smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(Nc2nnc(SCCC#N)s2)c1 6057799 XMEZNLDCQNINFH-UHFFFAOYSA-N 276.390 3.596 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc2c(c1)CCO2 14202547 KURILWJFGLWKMD-HWKANZROSA-N 270.353 3.888 30 20 CHED COc1ccc(SCc2ccccc2C#N)cc1 19847626 ZDGBPCXQEDSPCB-UHFFFAOYSA-N 255.342 3.859 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)c2ccc(C#N)cc2)n1 29588819 RDOJHTGEYXDKOY-ZDUSSCGKSA-N 276.343 3.615 30 20 CHED C[C@@H](Nc1snc(Cl)c1C#N)c1cccs1 47405256 QQOHWLRPBUSJPZ-ZCFIWIBFSA-N 269.782 3.903 30 20 CHED C=CCn1c(SCC(=C)C)nnc1-c1ccccc1 47819511 VQUISFKOHXLJMT-UHFFFAOYSA-N 271.389 3.799 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C#N)c1 48682904 CDNZEOMBXMTYJN-HIFRSBDPSA-N 271.364 3.649 30 20 CHED CC(C)N(CCCC#N)Cc1cccc(Cl)c1 51906938 DGTJNUGSRPUYQU-UHFFFAOYSA-N 250.773 3.854 30 20 CHED CN(C(=O)CCCc1ccccc1)c1ccc(C#N)cc1 61954760 SDJBHSVIBQDSSY-UHFFFAOYSA-N 278.355 3.544 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1cc(Cl)ccc1Cl 63094847 RGYFZYGSNPRIHJ-QMMMGPOBSA-N 286.162 3.759 30 20 CHED CC(C)Oc1cccc(CC(=O)Nc2ccc(C#N)cc2)c1 66013570 RNWWPUOUEJWDNW-UHFFFAOYSA-N 294.354 3.527 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1F 67428004 GXUFDMLDEVOYSW-BQYQJAHWSA-N 265.287 3.902 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 67501551 XKYDXNUCUXTQLJ-KRWDZBQOSA-N 282.774 3.989 30 20 CHED C=CCc1ccc(OC(=O)CCc2ccco2)c(OC)c1 70730521 FNRPJXITPYIKID-UHFFFAOYSA-N 286.327 3.555 30 20 CHED CO[C@@H](CNc1ccc(F)cc1C#N)c1ccc(F)cc1 75059728 NSQZOUOCLKKOMP-INIZCTEOSA-N 288.297 3.636 30 20 CHED CC(C)(C#N)NC(=O)c1ccc(-c2ccccc2Cl)o1 77025180 LHABALQINJEQRD-UHFFFAOYSA-N 288.734 3.632 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(C#N)c1 82349613 YEJLQYHHVBLTQU-KDOFPFPSSA-N 290.366 3.576 30 20 CHED COc1ccc([C@@H](C)Nc2ccc(F)cc2C#N)cc1 90310510 IJSLLMICVKKDGG-LLVKDONJSA-N 270.307 3.879 30 20 CHED COc1cccc(C(=O)/C=C\c2cccc(C)c2)c1 90548573 LTCNZVQXBFFXBD-KTKRTIGZSA-N 252.313 3.900 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1ccccc1Cl 90714685 KDJCZHJBQBIHPR-HJWRWDBZSA-N 258.704 3.942 30 20 CHED Cc1ncccc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 93872467 QWFHSSHZKQCOFT-OALUTQOASA-N 291.398 3.662 30 20 CHED C[C@@H](Nc1ccncc1Cl)c1ccc(C#N)cc1 94266961 VNXFLENLNNRSPO-SNVBAGLBSA-N 257.724 3.780 30 20 CHED C=CCCC(=O)Oc1cccc(NC(=O)c2ccccc2)c1 102232202 OTTFHWNBPGNSJO-UHFFFAOYSA-N 295.338 3.811 30 20 CHED C=CCCC(=O)O[C@@H](C)c1ccc(OC(F)F)cc1 102506238 SJZKFICEASZIBL-JTQLQIEISA-N 270.275 3.858 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCc2ccsc2)c1 103028402 HTKUEUZYSORRLK-UHFFFAOYSA-N 283.396 3.715 30 20 CHED C=CC1CCN(C(=O)c2oc3ccc(OC)cc3c2C)CC1 110362351 ZULMHPAHTBYRMP-UHFFFAOYSA-N 299.370 3.788 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 112775572 HXLMOCQQSGWKOO-KBPBESRZSA-N 298.292 3.579 30 20 CHED CCc1c(C)sc(NC(=O)CCC2CC2)c1C#N 115059119 PTAPRXRNVIAMKG-UHFFFAOYSA-N 262.378 3.619 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N[C@@H](C)CC#N 115350609 ZRRRWJWRICDCBK-ZFWWWQNUSA-N 264.413 3.647 30 20 CHED C[C@@H](CC(=O)NCc1cccc(C#N)c1)c1cccc(F)c1 115987859 XSZRSEGLLXCLLB-ZDUSSCGKSA-N 296.345 3.507 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(OC(F)(F)F)c1 116999503 KQHRGUAPCFSROF-VIFPVBQESA-N 288.269 3.671 30 20 CHED C=CCCCSCc1noc(-c2ccsc2)n1 117943606 CULPULDQLPPNIK-UHFFFAOYSA-N 266.391 3.998 30 20 CHED Cc1cccc(Nc2ccccc2C(=O)N(C)CC#N)c1C 120867308 NTJHTNJOGXVIKA-UHFFFAOYSA-N 293.370 3.643 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1C#N 153630739 WUCHVNCRQIPDKJ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@H]1CC[C@H](CC(=O)N[C@@H](CCC#N)c2ccccc2)C1 153748531 RDPSQXQHCTULFG-ZOBUZTSGSA-N 284.403 3.974 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)COc1ccc2ccccc2c1 154344312 MOFYPSGRLVTGPS-MRXNPFEDSA-N 297.354 3.700 30 20 CHED Cc1ccc(C#N)c(NC[C@@H](c2cccnc2)C(C)C)n1 161762426 YOSHQQBOEXQVJU-MRXNPFEDSA-N 280.375 3.508 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ccc(F)cc1 167589686 QPDILJCFQLYTPN-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=C(C)COc1cccc(NC(=O)N(CC)C2CC2)c1 171274949 RNWGHVQJHJFRSB-UHFFFAOYSA-N 274.364 3.658 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1c(F)cccc1Cl 175025408 UXNBFNLFMMBRGI-QWRGUYRKSA-N 279.746 3.573 30 20 CHED C=CCCCC(=O)N1CCC(Cc2ccccc2)CC1 175102150 OISOHBLNEZQRMJ-UHFFFAOYSA-N 271.404 3.824 30 20 CHED C/C(=C\C(=O)N(C)C1(C#N)CCC1)c1cccc(Cl)c1 175795493 MOSJWMUNXNGQEJ-FMIVXFBMSA-N 288.778 3.648 30 20 CHED C[C@H](Sc1cccc(C#N)c1)C(=O)c1ccccc1 177106838 DHZKVJBFLWHJHH-LBPRGKRZSA-N 267.353 3.922 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1cccc(C)c1C 177864604 AXQGEJVUNXETHJ-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)C1CC1 178390950 BHJBQDLJOVYALB-VIFPVBQESA-N 293.750 3.562 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3ccsc3)n2c1 178767964 DGRHOQFNRNEJFO-ONEGZZNKSA-N 268.341 3.600 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 180540836 SOUZQRBJOCMTDY-LLVKDONJSA-N 298.333 3.567 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1csc(CC)n1 180760541 DQXXDLKZYIYBMY-RYUDHWBXSA-N 295.452 3.811 30 20 CHED C=CC[C@H](C)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 180904321 HBBILPBQYACVCG-KBPBESRZSA-N 268.404 3.888 30 20 CHED CC#CCCCC(=O)Nc1ccccc1N1CCCCC1 184887417 XIYMXDJGLMPSLH-UHFFFAOYSA-N 284.403 3.809 30 20 CHED C=CCC[C@@H](C)NC[C@H](c1ccco1)N(CC)CC 185228232 RUNKTTBGIWHEAR-HUUCEWRRSA-N 264.413 3.607 30 20 CHED CC#CCCCC(=O)Nc1ncc(-c2ccccc2)s1 185312414 PXLOBZWIUHLAPZ-UHFFFAOYSA-N 284.384 3.942 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc2occ(C)c2c1 186860517 QUJZPOXEGZUDOA-QGZVFWFLSA-N 287.359 3.909 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(N(C)C)c1 187711274 BQLDFOUWNJYZJI-OAHLLOKOSA-N 293.414 3.817 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)c(Br)cn1 187989165 GSVXMPMGWNYCHQ-ZDUSSCGKSA-N 297.196 3.693 30 20 CHED C[C@H](CCC#N)Sc1ccc(C#N)cc1Cl 188324072 IKAATCQRIQIUNT-SECBINFHSA-N 250.754 3.996 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](CC)c1nc(C)cs1 188558643 ONOXSSIVQUPBFQ-BXUZGUMPSA-N 266.410 3.621 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)c(C)c1 189902464 XJZLSJJAMSFWBC-UHFFFAOYSA-N 276.355 3.679 30 20 CHED C=CCN(CCOC)[C@H](C)c1ncc(-c2ccccc2)o1 191136041 KAQAXFYEBYRQTG-CQSZACIVSA-N 286.375 3.537 30 20 CHED N#CCSCCCN1CCC=Cc2ccccc21 191291699 QMKGLDHROOJSLR-UHFFFAOYSA-N 258.390 3.557 30 20 CHED N#CCCCOC(=O)CCc1ccc(Cl)cc1Cl 192652985 HMSZIKWTTYHWLF-UHFFFAOYSA-N 286.158 3.773 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)C1(C#N)CCCCC1 193025398 GTUGGCZHGDHKFR-AWEZNQCLSA-N 270.376 3.680 30 20 CHED CSCc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 193327553 AGGXLCFMYBDCNV-CZUORRHYSA-N 274.433 3.722 30 20 CHED C=CCN1CCC[C@@H]1c1cccc(Br)c1 217166218 IDYJQMZVRSXRPT-CYBMUJFWSA-N 266.182 3.772 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccc(C#N)cc2Cl)c1 226348596 SLESPJNVAVEFSX-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC1(CNCc2ccc(C#N)cc2F)CCCCC1 227598838 ZJOVRMSHIXIEPO-UHFFFAOYSA-N 260.356 3.757 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)c(C#N)c1)CC(C)(C)C 227861710 SIRPUYMUQRPVBN-GFCCVEGCSA-N 283.375 3.831 30 20 CHED N#Cc1cccc(CNc2c(F)cccc2F)c1F 230054684 UWMQHDMUWOEXKI-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=CCSCCN[C@H]1C[C@H](C)c2c(C)ccc(O)c21 230666541 UIIQESHAYKCRTO-STQMWFEESA-N 277.433 3.758 30 20 CHED CC[C@H]1CCCN(c2nccc(C#N)c2Cl)CC1 234106086 JHDRMFXLTREUMH-NSHDSACASA-N 263.772 3.623 30 20 CHED CSC1(CNc2cccc(Cl)c2C#N)CCC1 235185447 OXZQGHRNHNIRBI-UHFFFAOYSA-N 266.797 3.909 30 20 CHED N#Cc1ccnc(N[C@@H]2C[C@H]2c2ccccc2)c1Cl 236051598 UKMPLFGWLYYSEY-QWHCGFSZSA-N 269.735 3.575 30 20 CHED C[C@H]1CCCC[C@H]1NCc1ccc(O[C@H](C)C#N)cc1 237559847 HBXNWLQHDSIMML-JJRVBVJISA-N 272.392 3.646 30 20 CHED N#CCC[C@H](N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 246578358 YLWAZXGNPJKKFJ-HJWJTTGWSA-N 254.377 3.810 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 248828488 MFVWDDANHSHHPP-AHEZYBDSSA-N 268.404 3.982 30 20 CHED CCOc1cccc(C=Nc2cc(F)ccc2C)c1O 254832664 GLZWVGSCFLPTRK-UHFFFAOYSA-N 273.307 3.989 30 20 CHED N#Cc1ccc(/C=C2\CCOc3ccccc3C2=O)s1 255079311 NYKIICOSDSEAKH-PKNBQFBNSA-N 281.336 3.669 30 20 CHED N#Cc1cc(N=Cc2cc(Cl)ccc2O)ccc1F 255387449 HSWXMDVLRCLSDT-UHFFFAOYSA-N 274.682 3.807 30 20 CHED N#Cc1csc(/C=C2/CCc3cc(O)ccc3C2=O)c1 255449050 CCOCTDYJGAWBCZ-GHXNOFRVSA-N 281.336 3.538 30 20 CHED CC(C)n1cc(/C=C2\Cc3cc(Cl)ccc3C2=O)cn1 255772217 KKFFCZIIMBZRIW-WLRTZDKTSA-N 286.762 3.940 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccn(-c3ccccc3)n2)cc1 255780032 ZVSWDJUMIUITMV-KHPPLWFESA-N 299.333 3.640 30 20 CHED CCN(CCCC(C)(C)C#N)CCc1cccs1 266897765 HDWCPWFTAWHLJR-UHFFFAOYSA-N 264.438 3.942 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)OCC 270367101 SSEILYGQBZBEDZ-CZUORRHYSA-N 287.359 3.534 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1C 271231603 QOZHLRBAOWRCSB-MNOVXSKESA-N 291.782 3.721 30 20 CHED C#CCCCCC(=O)N(Cc1cccs1)C(C)C 271370253 MVFAELIMKDKOQB-UHFFFAOYSA-N 263.406 3.679 30 20 CHED C#CCCCCC(=O)N[C@@H](c1ccccc1C)C1CC1 271384196 FAWHJXLVMQLSLU-GOSISDBHSA-N 269.388 3.756 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1cc(C(F)F)ccc1Cl 274837162 NUECQJSFNQRYCA-ZETCQYMHSA-N 287.697 3.701 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CCC)Cc1ccccc1O 281148887 AYTRZMBKHHHMQW-OAHLLOKOSA-N 290.407 3.669 30 20 CHED C[C@]12CCN(Cc3ccccc3C#N)C[C@@H]1C2(Cl)Cl 284922124 VVSNMYNIFSYLPY-KBPBESRZSA-N 295.213 3.574 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccco1 286048625 KYLJIXXGEXMFKY-HZPDHXFCSA-N 289.350 3.749 30 20 CHED CC(C)(C#N)CCCn1ccnc1C(=O)c1ccc(F)cc1 286491681 TTZOGPYVJMIPAN-UHFFFAOYSA-N 299.349 3.583 30 20 CHED C=C(CNC(=O)N1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 288068385 QNLUYLSWFRZPRD-QGZVFWFLSA-N 295.386 3.575 30 20 CHED CN(c1ccc(C#N)nc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 289189774 WODJRBXVWOMXDU-KLPPZKSPSA-N 283.297 3.511 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SCOC1CCC1 289626434 MAHZQMDOXJUMKY-UHFFFAOYSA-N 288.294 3.591 30 20 CHED COc1ccc(F)cc1[C@H](C)Nc1ccc(C#N)cc1 301118763 ZASTUXBYMCYUIU-NSHDSACASA-N 270.307 3.879 30 20 CHED Cc1nc2c(c(Oc3ccc(C#N)cc3C)n1)CCCC2 301554113 HYBHMTBJTTUQSM-UHFFFAOYSA-N 279.343 3.636 30 20 CHED C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(F)cc1C#N 301750270 UGWFRBPFGKCTNY-YVEFUNNKSA-N 284.334 3.621 30 20 CHED CCOc1ccccc1[C@H](CC)Nc1cccc(C#N)n1 301814975 CYJNQXUDWMVMAW-HNNXBMFYSA-N 281.359 3.915 30 20 CHED C[C@@H]1CN(c2snc(Cl)c2C#N)c2ccccc21 301928536 LFJQMPIRJUOKTL-MRVPVSSYSA-N 275.764 3.923 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1nccnc1C#N)CC2 302389618 HZSPPPPTXHLLHY-OAHLLOKOSA-N 278.359 3.571 30 20 CHED C=C(C)[C@H](Nc1cncc(C)n1)c1ccc(F)c(F)c1 302450071 SVLSORLOXZDFJZ-HNNXBMFYSA-N 275.302 3.793 30 20 CHED C#Cc1cccc(NC(=O)C=C2CCC(C)CC2)c1 303596856 UHARUFRHFLWAET-UHFFFAOYSA-N 253.345 3.743 30 20 CHED C=C(Br)CN1C[C@@H](C)Cc2ccccc21 307158816 BTEAFXZMSSCGIR-JTQLQIEISA-N 266.182 3.594 30 20 CHED Cc1nc(N(C)[C@H]2CCC[C@@H](C)C2)c(Cl)cc1C#N 311555734 JRMBGXXOYIKYTO-MFKMUULPSA-N 277.799 3.930 30 20 CHED CC[C@H](/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1)c1nccs1 328897977 CZIKTBZPSIBSAR-MXWKQRLJSA-N 280.393 3.556 30 20 CHED Cc1cccc(N=C(O)NC2(CCO)CCCCC2)c1C 331080916 XNYDINSLKYNRDN-UHFFFAOYSA-N 290.407 3.524 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCCC[C@@H](C)C2)c1 332267142 CYZNTSIYFLIFEG-GFCCVEGCSA-N 271.364 3.521 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(F)cc2cccnc12 334462152 QEDRBHGLTRSGCL-AWEZNQCLSA-N 284.334 3.555 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2ccccn2)c(C)cc1Cl 336089856 WAKMKKFMZNEKLT-ZDUSSCGKSA-N 284.746 3.842 30 20 CHED Cc1cccc(-c2nnc(S[C@H]3CC[C@@H](C#N)C3)n2C)c1 336261468 JILBHFRGLSRQLQ-OCCSQVGLSA-N 298.415 3.575 30 20 CHED Cc1c(C#N)cccc1C(=O)N1Cc2ccccc2[C@@H]1C 337793163 CZPKGCZHIOCBTF-ZDUSSCGKSA-N 276.339 3.584 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1Oc1ccncc1 338199853 ZCXGSTAFGQLCFE-CYBMUJFWSA-N 282.343 3.568 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@](C)(CC)C1 338828006 KKUUVVSHSSFUPE-QGZVFWFLSA-N 288.439 3.748 30 20 CHED CC(C)(C)[C@@H]1CN(CCOCCC#N)c2ccccc21 339130658 YGFQGRWICNFLBB-OAHLLOKOSA-N 272.392 3.567 30 20 CHED Cc1ccc(C)c(C[S@](=O)Cc2ccccc2C#N)c1 339150451 BUUAHPXJSVVGTE-HXUWFJFHSA-N 283.396 3.624 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1Cl 341527303 JLDMVWSEKMKSFP-JTQLQIEISA-N 294.782 3.839 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(CC)CC1 342484053 JRSJPHNWSOQYGS-UHFFFAOYSA-N 289.423 3.559 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCSCc1ccccn1 343251364 PKJQTXALKAMUCQ-CQSZACIVSA-N 292.448 3.566 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)CC1(C#N)CC1 343253843 BDJKYLUCLSVWPV-LBPRGKRZSA-N 254.333 3.729 30 20 CHED N#Cc1csc(CNC2(c3ccc(F)cc3)CC2)c1 344266725 VSMSLBZCAHIYMN-UHFFFAOYSA-N 272.348 3.538 30 20 CHED Cc1cccc(CSc2nc(C)cc(C)c2C#N)n1 345375901 UNILYNNQFGGQTH-UHFFFAOYSA-N 269.373 3.566 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(OC)c1 345383072 UTCOFIFZEHMXCL-UHFFFAOYSA-N 295.382 3.832 30 20 CHED N#CCCCN[C@H]1CCc2cc(Cl)cc(Cl)c21 346812409 WRXYQLPALAGEEP-LBPRGKRZSA-N 269.175 3.874 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)cc(F)c2F)CC1 348134645 AJAMQBXJLJMGIM-UHFFFAOYSA-N 269.266 3.789 30 20 CHED COc1ccc([C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccco2)cc1 349403084 FQDZGIOCJWFADE-XUWXXGDYSA-N 296.370 3.659 30 20 CHED CC[C@@H](C)CCC(=O)Nc1ccnn1-c1ccc(C#N)cc1 352962134 KAXLWUQUFWARFB-CYBMUJFWSA-N 296.374 3.509 30 20 CHED Cc1cc2cc(CNCc3ccc(C#N)c(C)c3)ccc2[nH]1 353129685 VAKVHDPLWCCKTG-UHFFFAOYSA-N 289.382 3.946 30 20 CHED CCC1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 354827369 AGEPNBITQSUJRF-QGZVFWFLSA-N 284.403 3.723 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H](C)O1 354892805 LYDBHXNVHPOGGB-QAPCUYQASA-N 286.419 3.584 30 20 CHED C=CCCC1(C(=O)Nc2ncc(C(C)C)s2)CC1 356213825 JWVXCUJNDXBSTD-UHFFFAOYSA-N 264.394 3.951 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cnc([C@@H](C)CC)nc1 358177512 GJNJDYJGIIGYPO-RYUDHWBXSA-N 261.369 3.531 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 359371812 FEYVKVYPTIBTRD-BZUAXINKSA-N 274.408 3.521 30 20 CHED CCC[C@@H](CC)[S@@](=O)Cc1ccc(CC#N)cc1 359429758 ISIWRFZIAFJNSL-QAPCUYQASA-N 263.406 3.580 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N(C)Cc3ccco3)c2c1 359694514 RWRRKWJXRRGIQA-UHFFFAOYSA-N 291.354 3.953 30 20 CHED CCC(CC)CN(CCC#N)C[C@@H]1CCC(C)(C)O1 359852646 HKWODLFSGACSBZ-HNNXBMFYSA-N 266.429 3.596 30 20 CHED C=CCC1(C(=O)NCC2(c3ccncc3)CCCC2)CCC1 359942107 MOZFFXXYEXXMBZ-UHFFFAOYSA-N 298.430 3.756 30 20 CHED C[C@@H](CCc1ccsc1)NCc1cccc(C#N)c1 360974810 QESADRMOVGVVSR-ZDUSSCGKSA-N 270.401 3.731 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 361859904 IHDQDHBVKOHJJE-CXAGYDPISA-N 287.407 3.735 30 20 CHED C=C[C@H](C)NC(=O)Nc1c(C)cc(Br)cc1C 362616215 WOZNEWWYSFHHKZ-JTQLQIEISA-N 297.196 3.762 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 370022874 VOUUUBFSAVLWOP-CWRNSKLLSA-N 287.407 3.529 30 20 CHED CC1(C)CC[C@@H]1Nc1cc(C#N)c2ccccc2n1 381746690 QKVCDYVFDMSDQV-AWEZNQCLSA-N 251.333 3.707 30 20 CHED Cc1ccc(C)c(CN2CCC(CCC#N)CC2)c1 399361206 GEPGYLKUKMNMQK-UHFFFAOYSA-N 256.393 3.819 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N[C@@H](C#N)C1CCCCC1 402568152 PBFWRXJHCJSXEZ-PWSUYJOCSA-N 290.329 3.554 30 20 CHED CCN(CCC1CCN([C@@H](C)CCC#N)CC1)CC1CC1 411421672 BLUGZYKQQNKCST-INIZCTEOSA-N 291.483 3.513 30 20 CHED N#CC1(CCN[C@H]2CCCC23CCOCC3)CCCCC1 411697553 WDDRFJNYZPGKFK-INIZCTEOSA-N 290.451 3.789 30 20 CHED C=CCC[C@H](NCC(C)(C)c1cccnc1)C1CC1 414327327 GAQKFGYPSIMTPC-INIZCTEOSA-N 258.409 3.694 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416075882 GEDRPNPUSDYQMH-YVEFUNNKSA-N 270.376 3.681 30 20 CHED N#CC1(CN[C@H](CCc2ccccc2)C(F)F)CCC1 418142886 NWGDEBRGONYCIH-CQSZACIVSA-N 278.346 3.536 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1CCCCC#N 421027781 VNQYCKCHNFQNJW-INIZCTEOSA-N 256.393 3.948 30 20 CHED C=CCC[C@H](N[C@H]1CCCc2cc(N)ccc21)C1CC1 423364992 ZOHPEAFKJCJERN-ROUUACIJSA-N 270.420 3.981 30 20 CHED C=CCn1cc(CN[C@@H](C)c2ccccc2C(C)(C)C)nn1 424295241 MOMYAOCXPOHNLN-AWEZNQCLSA-N 298.434 3.612 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424967850 SNINBZUNJQZLSQ-UAGQMJEPSA-N 282.387 3.545 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCN(c2ccccc2F)C1 426299415 VSYRBYITGNZZIL-LSDHHAIUSA-N 276.399 3.739 30 20 CHED C=C1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 427022978 YUUNUDDBVYLSRT-UHFFFAOYSA-N 279.305 3.709 30 20 CHED C=CCN(C)C(=O)c1cccn1[C@H](C)Cc1ccccc1 427941944 HSNCAFSYICTNGS-OAHLLOKOSA-N 282.387 3.550 30 20 CHED C=CCCCCNC(=O)NCc1ccc(NCCC)cc1 434332696 HGQRBIFNQORJHI-UHFFFAOYSA-N 289.423 3.664 30 20 CHED C=CCCOCCN[C@H]1CC[C@H](Cc2ccccc2)C1 436422416 ZFEMOBOHADVRQN-MSOLQXFVSA-N 273.420 3.580 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(F)c(C2CC2)c1 439798796 DRQBMYLKYOGXMM-SNVBAGLBSA-N 262.328 3.789 30 20 CHED Cc1c(CN[C@H]2CC[C@H](C#N)C2)oc2ccc(F)cc12 442785398 XOJRWZFNQXWFTB-AAEUAGOBSA-N 272.323 3.662 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[C@H](C)C1 444143196 LVFVDXKMVITZGB-HOCLYGCPSA-N 272.392 3.573 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H](C(C)C)C2)cc1 444396182 XPJDOBDKCGAPIC-MRXNPFEDSA-N 287.403 3.760 30 20 CHED CCc1ccccc1CCN(CCC#N)Cc1ccco1 444650182 NXPAKFUPYQUBRP-UHFFFAOYSA-N 282.387 3.800 30 20 CHED CC(C)N(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 446760275 SVSFBKOWNSBQPZ-UHFFFAOYSA-N 297.320 3.810 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@]1(C)CCC[C@H]1C 448822490 KQYGJTMBRIHIAF-WBMJQRKESA-N 256.349 3.632 30 20 CHED COCCOc1cccc(NC2CCC(C)(C#N)CC2)c1 449041718 OATBVAMGXWHYLN-UHFFFAOYSA-N 288.391 3.596 30 20 CHED C[C@H]1CCc2nc(CNc3cccc(CC#N)c3)sc2C1 449696817 KMVAATPGMKMVNN-LBPRGKRZSA-N 297.427 3.946 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCO[C@H]2C(=C)C)CCCCC1 451391874 JOGSGPAPLFWFNP-HOTGVXAUSA-N 291.435 3.610 30 20 CHED C=CCC[C@H](CO)N[C@H](CCC)c1ccsc1 453359644 PAOSCFIVJWQWFG-ZIAGYGMSSA-N 253.411 3.506 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(CC#N)cc1 454344191 NECMJBIQGOGFLO-LBPRGKRZSA-N 273.380 3.699 30 20 CHED C=C(CC)CNC(=O)c1ccc(C)c(C)c1Cl 456811680 KDENRNAMAHYQDL-UHFFFAOYSA-N 251.757 3.653 30 20 CHED CC[C@@H](C(=O)N[C@](C)(C#N)C(C)C)C1CCC(C)CC1 460754005 FLVLABIMKQKKOV-OCUYMYNFSA-N 278.440 3.893 30 20 CHED C=CCCCCNC(=O)NCCC1=CCCCC1 471439675 BWKBNMYBELNLTE-UHFFFAOYSA-N 250.386 3.532 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)NC1(C#N)CCCCC1 475470834 LWHIQANSVHMPBG-KGLIPLIRSA-N 262.397 3.545 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C)c(Cl)cc1C 476051086 AFLYAXKMGNMVBB-NSHDSACASA-N 251.757 3.651 30 20 CHED N#Cc1cccc(OCCCSCCC2CC2)c1 478924366 QVIJGBYNCTULER-UHFFFAOYSA-N 261.390 3.860 30 20 CHED C=CCCCC(=O)N[C@H](c1ccccc1C)C1CC1 479637218 XOEIBCDVCJCKCM-KRWDZBQOSA-N 257.377 3.919 30 20 CHED Cc1ccc2c(c1)N(Cc1cc(C#N)cs1)C[C@@H](C)O2 484741687 VVMGPNZPAQCUQL-GFCCVEGCSA-N 284.384 3.716 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1CCCc1ccccc1 488572854 LOZPRJJEKMTMMY-QGZVFWFLSA-N 286.419 3.759 30 20 CHED C=CCC(C)(C)CNC(=O)C1(c2cccc(F)c2)CC1 489979775 PASJXLNSJQMIKH-UHFFFAOYSA-N 275.367 3.576 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCC(F)(F)F 491390230 SGAKGGVURVZZJK-JTQLQIEISA-N 256.271 3.503 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 504585981 QJHWGYLOOKJOLT-MISXGVKJSA-N 278.783 3.703 30 20 CHED C=CCOc1ccc(CN2CCCCCC2)cc1OC 505461791 MMGXFADPKCAJDG-UHFFFAOYSA-N 275.392 3.636 30 20 CHED C=C(C)CCS[C@H](Cc1ccc(C)cc1)C(=O)OC 506434729 UUSSMFIWIURSDK-OAHLLOKOSA-N 278.417 3.779 30 20 CHED COc1cccc(Sc2ncc(C#N)cc2Cl)c1 513619895 PKPRRUWTIFFIEU-UHFFFAOYSA-N 276.748 3.766 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccc(OC)cc1)C(C)(C)C 514885892 ABRJPULBUUQCKH-MRXNPFEDSA-N 291.435 3.623 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(C)cc1C 514955149 YMZWGFSHGMGEBU-OAHLLOKOSA-N 289.444 3.985 30 20 CHED N#CC1(CCn2ccc(-c3ccc(F)cn3)n2)CCCCC1 516750687 CVEIIQNKYQDJBR-UHFFFAOYSA-N 298.365 3.948 30 20 CHED C=CCC(C)(C)C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 517597632 WUOOREUEXKUCEV-UHFFFAOYSA-N 293.357 3.568 30 20 CHED CCc1ccccc1NC(=O)N1CCC(CCC#N)CC1 518766368 BDYWPWJHSLOMQP-UHFFFAOYSA-N 285.391 3.797 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1sccc1C#N 518876680 UUHOXKNZTKIOIR-GHMZBOCLSA-N 262.378 3.775 30 20 CHED C=CCCC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 522535176 UIWSSZVXJWKHBC-UHFFFAOYSA-N 299.414 3.691 30 20 CHED C=CCCCC(=O)NCc1cc2c(s1)CCCC2 530881686 IYNJBDZOIKMSPJ-UHFFFAOYSA-N 263.406 3.599 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1c(F)cccc1F 533311312 CHEOAVBBFKTCIY-JTQLQIEISA-N 290.288 3.826 30 20 CHED N#CC1(CN(CCc2ccccc2)c2ccc(O)cc2)CC1 537246799 GWMSUKNDYKSBIV-UHFFFAOYSA-N 292.382 3.745 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCc2cc(C#N)cs2)o1 539458537 KMCQYRQWIGGOIC-HZMBPMFUSA-N 272.373 3.626 30 20 CHED CCc1ccc(C2=CCN(c3cccc(C#N)n3)CC2)cc1 540077942 DXSZYOXLFBUMBR-UHFFFAOYSA-N 289.382 3.809 30 20 CHED CC(C)(C)[C@@H](NCc1ccc(F)cc1C#N)C(F)(F)F 541846586 BQNKWPFURMGJEG-GFCCVEGCSA-N 288.288 3.764 30 20 CHED CC#CCCNC(=O)Nc1ccc(CCC(F)(F)F)cc1 542697332 NKUMGLPXWAQGAU-UHFFFAOYSA-N 298.308 3.716 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CCCCS1 543342389 LAFSDEVOYBOSPU-CQSZACIVSA-N 284.469 3.660 30 20 CHED C=CCOc1cccnc1-c1nc(-c2cccc(C)c2)no1 546232742 JVLXGGJZEUAOIM-UHFFFAOYSA-N 293.326 3.672 30 20 CHED N#CCc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 546941474 OSNNQDSIJPXGQY-UHFFFAOYSA-N 279.274 3.609 30 20 CHED N#Cc1cc(C(=O)Nc2cccc3cc[nH]c23)ccc1Cl 547816494 GVCIIMZDBVFRFH-UHFFFAOYSA-N 295.729 3.945 30 20 CHED C=CCOCCCN1CCC(c2cccc(F)c2F)CC1 558701238 BZTYDKZLOXTPJK-UHFFFAOYSA-N 295.373 3.737 30 20 CHED Cc1cc(NCc2ccc(Cl)c(C)c2)cc(C#N)n1 563274909 YLOUVLWKGDACOY-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C=CCOCCN1CCC(c2ccnc3ccccc23)CC1 565164345 SDEYXWHMZXTIQN-UHFFFAOYSA-N 296.414 3.617 30 20 CHED CCc1nocc1CNc1ccc(C#N)c(C(F)(F)F)c1 566020497 SBHNSUISHWMXNW-UHFFFAOYSA-N 295.264 3.740 30 20 CHED CC(C)Oc1cccc([C@H](NCCCC#N)C(F)F)c1 566476524 ZFVLAVQTDHWMBJ-AWEZNQCLSA-N 282.334 3.673 30 20 CHED N#CCCNC[C@H](c1ccccc1)c1c[nH]c2ccccc12 568739644 RDSDTUQGBCKWKP-QGZVFWFLSA-N 289.382 3.803 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@@H]1CCCC[C@H]1C 569483681 AWIXIMCKVDGPJE-OCCSQVGLSA-N 285.391 3.755 30 20 CHED Cc1cc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)ccc1C#N 569777938 VFERSQPMAXDQAL-SUMWQHHRSA-N 280.371 3.873 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 570184998 KIGYYHJGXTZQOD-ZDUSSCGKSA-N 292.379 3.828 30 20 CHED CCCC[C@@H](CC)CNC(=O)N1CCC(CCC#N)CC1 573718141 VPDJCICYCBQADV-OAHLLOKOSA-N 293.455 3.928 30 20 CHED C=CCCCCNC(=O)Nc1c(F)cccc1Cl 573841121 LEDFFHMRSIEHEL-UHFFFAOYSA-N 270.735 3.957 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCC1(c3ccccc3)CC1)CC2 579651410 DXFASFCMATWWAK-IBGZPJMESA-N 288.394 3.867 30 20 CHED C=CCCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 588023344 SQHGVALCDDUHDA-GOSISDBHSA-N 283.346 3.998 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H]4C[C@@H]43)c2c1 588066033 HKHVZDAJOIDMIZ-CJNGLKHVSA-N 277.371 3.712 30 20 CHED N#CCCCCCC(=O)Nc1cccc(OC(F)F)c1 588151746 RSJOMZIZOQAAMS-UHFFFAOYSA-N 282.290 3.701 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)CCCCCC#N)c1 588157427 QPRYQWYHCCDFGG-OAHLLOKOSA-N 272.392 3.955 30 20 CHED CC(C)(CCC#N)CNCc1ccccc1C1CC1 588929504 CJUQNTHZHOOBOG-UHFFFAOYSA-N 256.393 3.984 30 20 CHED N#CCCCC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 589833738 MFIPIRCIGRFJKE-HNNXBMFYSA-N 295.386 3.568 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCc3ccccc3C2)CC1 590646154 WJHFWHDLHPSLBL-VNCLNFNDSA-N 282.431 3.854 30 20 CHED C[C@H](NC(=O)[C@@]1(C)CCC[C@H]1C)c1cccc(C#N)c1 590676073 XPRIYWGJBSWICG-IGCXYCKISA-N 270.376 3.562 30 20 CHED N#Cc1cccc(C2(NC3CCC(F)(F)CC3)CC2)c1 592389032 QPSLFWZAYRUIQO-UHFFFAOYSA-N 276.330 3.715 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](OC2CCC2)C1 594027707 YPFLTZFWUCXRQE-RDTXWAMCSA-N 284.403 3.653 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 594043785 OPJHNADAZCGQPQ-ZIAGYGMSSA-N 286.419 3.678 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl 594094452 KECZFIPGOSVJHC-ZJUUUORDSA-N 299.201 3.857 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1 595623615 VMEDZRYGXCFWJT-LBPRGKRZSA-N 298.308 3.711 30 20 CHED Cc1cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1C#N 595789280 QIWTUFUKPDCLBG-MOPGFXCFSA-N 298.430 3.648 30 20 CHED CCc1nc(C#N)cc(SCc2ccc(C)c(C)c2)n1 596161281 GIHWNGBKOQTHCR-UHFFFAOYSA-N 283.400 3.820 30 20 CHED C[C@H]1CN(c2nc(C#N)c(Cl)s2)CC(C)(C)C1 596191063 GPUOAYGLUOQQFU-MRVPVSSYSA-N 269.801 3.541 30 20 CHED Cc1nc(CSCCc2ccc(C#N)cc2)cs1 596339803 FBVDNWRMVCHYSG-UHFFFAOYSA-N 274.414 3.799 30 20 CHED N#CC1(CC(=O)Nc2ccccc2F)CCCCC1 596622692 HGOUPXKJFMSENV-UHFFFAOYSA-N 260.312 3.628 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 596743074 WRHUPWTXXZSRRJ-ZIAGYGMSSA-N 262.397 3.545 30 20 CHED N#CC1(CC(=O)N2CC3(CC3)c3ccccc32)CCCCC1 597284062 LEPLWIBPWZKEFP-UHFFFAOYSA-N 294.398 3.929 30 20 CHED C=CCCC(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 597764966 JGBOVAIIBFEBCN-UHFFFAOYSA-N 295.423 3.504 30 20 CHED C=CCCSCCNC(=O)[C@H]1CCCc2sccc21 597968844 NHTPGPLGTKJIIY-ZDUSSCGKSA-N 295.473 3.594 30 20 CHED CCc1ccc(-c2ccc(C(=O)N(CC)[C@@H](C)C#N)o2)cc1 598357906 DISHZXXHZRQTBH-ZDUSSCGKSA-N 296.370 3.883 30 20 CHED CCN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)[C@H](C)C#N 598359727 PKFWYQARGAHBBA-MNOVXSKESA-N 298.308 3.569 30 20 CHED N#C[C@@H]1CCC[C@H]1NCCc1cccc(C(F)(F)F)c1 600143319 ASLPRCAWRRHVON-GXTWGEPZSA-N 282.309 3.530 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C1CCCCCC1 602386468 KQVKPEVAGFXUAF-UHFFFAOYSA-N 288.366 3.961 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H](CN2CCCCCC2)C1 602459959 PHVDYVLBWKTULX-MSOLQXFVSA-N 291.483 3.514 30 20 CHED CCSCc1ccnc(NC[C@H](C)CCC#N)c1 602577522 PUUSLIHDXDMXGM-GFCCVEGCSA-N 263.410 3.686 30 20 CHED N#Cc1cccc(CNc2ccc(C3CCC3)cc2)n1 602640272 LWJZVJJHJVLXGR-UHFFFAOYSA-N 263.344 3.833 30 20 CHED C[C@H](CCC#N)CN1CCC=C(c2ccccc2)C1 602655529 VQBOAFNDYNGIND-OAHLLOKOSA-N 254.377 3.716 30 20 CHED COc1ccc2c(c1)C[C@@H](C)N(CC1(CC#N)CC1)[C@H]2C 602807261 WLZVHVDHSAHGEW-KGLIPLIRSA-N 284.403 3.697 30 20 CHED COc1ccc(C)cc1N[C@@H](C#N)Cc1ccccc1 604553092 INVPNJPIGMAFRD-OAHLLOKOSA-N 266.344 3.550 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2)cc1 604881213 OJEJVMDNPTVTOO-OAHLLOKOSA-N 295.382 3.960 30 20 CHED C=CCCSc1nnc2cc(C)c3ccccc3n12 606755673 FMBQATUSLHEGMJ-UHFFFAOYSA-N 269.373 3.859 30 20 CHED C[C@@]1(C#N)CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 612107032 ABVVJAADQDNDRT-AWEZNQCLSA-N 293.292 3.707 30 20 CHED C[C@@H](NC(=O)N1CC[C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 612134236 ZEUDKWKEFKBWRX-CZUORRHYSA-N 299.418 3.697 30 20 CHED C=CCCNC(=O)C1(Sc2ccccc2)CCCC1 617615626 UUHNOIIQFDLJOV-UHFFFAOYSA-N 275.417 3.784 30 20 CHED C=CCCC(C)(C)NC(=O)COCc1cccc(Cl)c1 620864340 AODYEIWOHMICJA-UHFFFAOYSA-N 295.810 3.718 30 20 CHED C=CCN(C(=O)CCCc1cccs1)C(C)(C)C 622943086 NMFWKRMKPIGDHY-UHFFFAOYSA-N 265.422 3.884 30 20 CHED C=CCN(C(=O)c1ccsc1Cl)C(C)(C)C 622946408 PBZBCJJTCLXPCH-UHFFFAOYSA-N 257.786 3.828 30 20 CHED C=CCN(Cc1noc(C2CCC2)n1)Cc1cccs1 625055128 AWOWNUUKUFFEHT-UHFFFAOYSA-N 289.404 3.587 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc(N)c1C 625918613 OIJHOGFGYZVTTA-UHFFFAOYSA-N 275.396 3.787 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCOc2c(OC)cccc21 655850854 MWWIEGIPTLQLAA-GZBFAFLISA-N 275.392 3.709 30 20 CHED C=CC[C@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)O)o2)C1 656759924 LRTCRYOZXQXSDF-STQMWFEESA-N 277.364 3.635 30 20 CHED C=CCCNC(=O)N1CC=C(c2ccc(CC)cc2)CC1 661570223 KSMUOBHBUSXKPY-UHFFFAOYSA-N 284.403 3.624 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccsc1 670174062 LTOMNTBQHQMHRK-AAEUAGOBSA-N 264.394 3.559 30 20 CHED C=CCC[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccco1 671759179 XUDQSGLXDDUPLS-INIZCTEOSA-N 296.370 3.685 30 20 CHED C=CCC[C@@H](NC[C@H](CO)c1ccc(Cl)cc1)C1CC1 672619773 DUTUAFVYUZXZAA-NVXWUHKLSA-N 293.838 3.750 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(-c2c(F)cccc2F)c1 677436908 LPNXRNROVKGLHP-LLVKDONJSA-N 287.309 3.936 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccccc2COC)no1 680706026 AXCVUAFUGXVFDS-LBPRGKRZSA-N 288.347 3.537 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)N(CC)CC2 682379081 VLAKMSCWNTUUNN-KRWDZBQOSA-N 272.392 3.610 30 20 CHED C=CCN(CC=C)C(=O)Nc1cnc(C(F)(F)F)cc1C 685673045 MLFAELWDVFGOFO-UHFFFAOYSA-N 299.296 3.615 30 20 CHED C#CCN(C(=O)Nc1ccccc1C(F)(F)F)C(C)C 688780785 QGVYSLGPDKXOJD-UHFFFAOYSA-N 284.281 3.581 30 20 CHED Cc1c(Cl)cncc1N[C@@H](C)CC(C)(C)C#N 695789995 YAJQRXFFYWXYIM-VIFPVBQESA-N 251.761 3.784 30 20 CHED C=CCCC(=O)O[C@H](C)c1nnc(-c2cccc(C)c2)o1 726649913 IYFSHCRHGBXMPM-GFCCVEGCSA-N 286.331 3.615 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccsc1 727973617 TUUKTONUIRJEAW-UHFFFAOYSA-N 275.333 3.801 30 20 CHED Fc1cc(Br)ccc1NN=Cc1ccco1 728433165 VJRAZPBWLLKXJE-UHFFFAOYSA-N 283.100 3.627 30 20 CHED C=C(Cl)COC(=O)C[C@H](CC)c1ccccc1 729025632 ZVEKYDFSXGMXGG-LBPRGKRZSA-N 252.741 3.866 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccc(O)cc1F 729933282 WKUDIYJZYDBKID-UHFFFAOYSA-N 295.317 3.916 30 20 CHED CCCCCCCCC/C=C\C(=O)NC1CCOCC1 733921443 MZGODXFYNDITRW-KHPPLWFESA-N 281.440 3.979 30 20 CHED C=CC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccncc1 734652868 USWJYZBSVKLRML-IMJJTQAJSA-N 287.407 3.577 30 20 CHED Cc1cc(C(=O)CON=C2CCC2)c(C)n1CCC(C)C 735489857 HDYCJXXWFFOYNA-UHFFFAOYSA-N 290.407 3.890 30 20 CHED C=CCCCOC(=O)COc1ccccc1C(C)C 735528213 NBHRWLQWDZQQRP-UHFFFAOYSA-N 262.349 3.698 30 20 CHED CCCCCCCC(=O)N1CCOc2cc(F)ccc21 735641084 DBGNSAQTYVYXSW-UHFFFAOYSA-N 279.355 3.912 30 20 CHED CCc1c(C(C)=NNCC(F)F)oc2ccccc12 740615783 ASZNCZYUHJNUKL-UHFFFAOYSA-N 266.291 3.574 30 20 CHED COCC(=NNc1ccnc2cc(Cl)ccc12)C(C)C 741451168 DFAKRYLSJHUWIB-UHFFFAOYSA-N 291.782 3.959 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@@H](CC)C(C)C 741637938 AMFDLRZCDGITKP-CYBMUJFWSA-N 291.366 3.849 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1 742437259 RTWXLMMBJSKDSI-TWGQIWQCSA-N 264.324 3.921 30 20 CHED Cc1ccc(C)c(NN=C2[C@H]3CCCO[C@H]3C2(C)C)c1 743430974 OLPAQCFRKSRJJT-CZUORRHYSA-N 272.392 3.906 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ncoc1C 745773561 XJSQGDOFDALQJM-GFCCVEGCSA-N 266.385 3.709 30 20 CHED CCCCCCCCN1CCN(C)C[C@H]1C(C)C 746462854 PXLDVAVJTONAOW-INIZCTEOSA-N 254.462 3.619 30 20 CHED CCc1ccc(C=NOCc2cccc3c2OCCO3)cc1 747828169 QVDTZMRAQGLIKG-UHFFFAOYSA-N 297.354 3.571 30 20 CHED O=C1/C(=C/c2cc(F)c(O)c(F)c2)CCc2sccc21 749893000 WQLRJBYKYBZFOY-WEVVVXLNSA-N 292.306 3.944 30 20 CHED Clc1ccc(NN=Cc2cnn(-c3ccccc3)c2)cc1 751320072 QVJKFWJABPMHGA-UHFFFAOYSA-N 296.761 3.972 30 20 CHED CCSCCON=C(c1ccccc1)C(F)(F)F 751954301 BBLZITFVNKWNRC-UHFFFAOYSA-N 277.311 3.723 30 20 CHED C=CCCCSCc1ccccc1CC(=O)OC 752809357 RLADPLATQUAAMZ-UHFFFAOYSA-N 264.390 3.602 30 20 CHED CO[C@@H](C)C(C)=NNc1cc(C(F)(F)F)ccc1F 753946079 DTAFSKIYCDDYFA-QMMMGPOBSA-N 278.249 3.667 30 20 CHED COCC(=NNc1cc(C(F)(F)F)ccc1F)C(C)C 753947909 UGRSOYQSBJKFSA-UHFFFAOYSA-N 292.276 3.915 30 20 CHED C(=NOCc1ccccc1)[C@H]1CCc2ccccc21 755630960 BTVHGZQUFYQOBC-MRXNPFEDSA-N 251.329 3.919 30 20 CHED C=CCC[C@H](NCc1cc(Cl)cc(Cl)c1)C(=O)O 756391740 ZJEKXDGPZYULBV-LBPRGKRZSA-N 288.174 3.502 30 20 CHED C#CCCCC(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 757944642 HAPDTVAOSLHDMB-HNNXBMFYSA-N 277.795 3.581 30 20 CHED C#CCCCC(=O)N(CC)Cc1ccc2ccccc2c1 758133459 BSAVJRZXVXOOHT-UHFFFAOYSA-N 279.383 3.992 30 20 CHED Cc1nc(-c2ccc(NC(=O)C3(C#N)CC(C)C3)cc2)co1 758161570 GBEMHOCGGLZZJG-UHFFFAOYSA-N 295.342 3.528 30 20 CHED Cc1cccc2c1CCN(Cc1cc(F)ccc1C#N)C2 759338545 JJNBFCCDNIGKGY-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CC#CCOC(=O)C1(c2c(Cl)cccc2Cl)CC1 759430794 IWLGQKJLUIPVKJ-UHFFFAOYSA-N 283.154 3.592 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCC[C@@H]1CCCCO1 761015961 SUHDWOCAMWVVDL-FMNVXAMXSA-N 281.783 3.814 30 20 CHED COc1cc(F)ccc1NN=C1CCc2ccccc21 761889461 DJELHHYRHHRXGO-UHFFFAOYSA-N 270.307 3.597 30 20 CHED c1ccc(NN=C2C[C@@H]3CCCc4cccc2c43)nc1 763344897 GEEDGYKOKGKOEY-ZDUSSCGKSA-N 263.344 3.721 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNc1ccc(C(=O)O)cn1 763377681 STPIMLJTBVRZAL-DGCLKSJQSA-N 289.379 3.640 30 20 CHED N#Cc1ccccc1CSCc1cccc2nsnc12 764636974 ZSDCVVFMMAAMDN-UHFFFAOYSA-N 297.408 3.996 30 20 CHED Cc1ccc(C)c(C=NNc2ncnc3ccsc23)c1 764842279 YBRYDXLOAAFYNO-UHFFFAOYSA-N 282.372 3.754 30 20 CHED C#CCN(CCCc1ccncc1)[C@@H]1CCc2ccccc21 764953597 KYFSYUUNDRRUOI-HXUWFJFHSA-N 290.410 3.637 30 20 CHED C#CCOc1ccccc1CN[C@H](C)CCc1ccsc1 765614116 QFKPFGGTKNVXLI-OAHLLOKOSA-N 299.439 3.871 30 20 CHED COc1ccc2c(c1)CCCCN2CCCCC#N 766270930 WZZTZCPBYNMKIK-UHFFFAOYSA-N 258.365 3.532 30 20 CHED C=CCOc1cccc(C=NNc2cccc(C#N)c2)c1 767363186 QUAFFPWZGTXHRR-UHFFFAOYSA-N 277.327 3.569 30 20 CHED N#CC1(C(=O)OCCC(Cl)(Cl)Cl)CCCCC1 767518136 GLOHHWUDXQEPBR-UHFFFAOYSA-N 298.597 3.764 30 20 CHED C[C@H](NN=Cc1cc(F)c(F)cc1F)c1ccccc1 767780813 WCHPTZCSSZBZRW-JTQLQIEISA-N 278.277 3.789 30 20 CHED CCCCCCCCCNC(=O)N[C@H]1CCO[C@H](C)C1 769735308 KCUITMPCMFFAPD-CABCVRRESA-N 284.444 3.604 30 20 CHED CCC(=Nn1cnc2ccccc21)c1ccc(C#N)cc1 773031676 BSBQZQWKQUAKNX-UHFFFAOYSA-N 274.327 3.570 30 20 CHED Cc1nc(C)c(C=NN[C@@H]2CCCCC2(C)C)s1 773123953 CYGFPJKYDWKYAH-CYBMUJFWSA-N 265.426 3.652 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1ccc(F)cn1 773126953 XDGPKHKSPOJBSS-AWEZNQCLSA-N 263.360 3.503 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(N(C)C)c(C)c1 775983131 BEMXFORKTFJEKQ-AWEZNQCLSA-N 289.423 3.927 30 20 CHED CCCC(CC)=NNc1ccc(Br)nc1 776185879 GHMIMMMJEXRENB-UHFFFAOYSA-N 270.174 3.822 30 20 CHED CC(C)(C)CCC(=O)O[C@H](C#N)C1CCCCC1 776385823 HPFNPCBDKQNXTB-CYBMUJFWSA-N 251.370 3.828 30 20 CHED Cc1nc(Cl)sc1C(=O)O[C@H](C#N)C1CCCCC1 776390985 BDOMMKLRHNASNF-SNVBAGLBSA-N 298.795 3.734 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)C1CCSCC1 777431664 YWORZHKSOOQMON-UHFFFAOYSA-N 284.375 3.574 30 20 CHED C#CCOc1cccc(Cl)c1CNc1cc(C)ccn1 777731538 AADDCHPVKSQKGU-UHFFFAOYSA-N 286.762 3.668 30 20 CHED C=C(C)CNC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 777835588 XRAKELNZGBYSPI-XFFZJAGNSA-N 283.293 3.801 30 20 CHED COC[C@@H](C)NN=Cc1ccc(-c2ccc(F)cc2)s1 777892869 FDFNYPJMCXUIEB-LLVKDONJSA-N 292.379 3.513 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)cc1 777911494 MAFKYUOCPQIFMD-SOFGYWHQSA-N 296.257 3.502 30 20 CHED C=CCSCC/N=C\c1ccc(N(CC)CC)cc1O 781100042 KEALKNWDGPJTJD-LGMDPLHJSA-N 292.448 3.577 30 20 CHED CC(=NNc1ccc(Br)cc1)[C@@]1(C)CCCO1 782188340 WWTARHRZEDAIQM-CYBMUJFWSA-N 297.196 3.806 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1ccc(C#N)s1 782302865 UZIWHWZFMFOQHR-ZDUSSCGKSA-N 261.394 3.512 30 20 CHED CCOc1ccc(/C=C2/Cc3c(O)cccc3C2=O)cc1F 782322994 KDGWVEBJABCYFJ-WQLSENKSSA-N 298.313 3.752 30 20 CHED C#Cc1cccc(NC(=O)CCCc2ccsc2)c1 783032989 AOKRBMYQZRALPR-UHFFFAOYSA-N 269.369 3.691 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@@H]1CCCCS1 783347779 OHCVVEDXXPHOER-HNNXBMFYSA-N 292.400 3.615 30 20 CHED CC(C)[C@@H](F)C(=O)Nc1sc2c(c1C#N)CCCCC2 784014218 GCJJZOUONLCNCO-CYBMUJFWSA-N 294.395 3.821 30 20 CHED Cc1ccc([C@@H]2CCCC2=NOC[C@@H]2CCOC2)cc1 788030590 OXCBCJXPOBJIRK-ZBFHGGJFSA-N 273.376 3.672 30 20 CHED CON=C(C)c1ccc(Br)cc1C(F)(F)F 790154816 XRGMFCZEBYYTCK-UHFFFAOYSA-N 296.086 3.838 30 20 CHED C=CCC1(C(=O)OCc2cccc(Cl)n2)CCC1 791558468 OMWGTJNXHSMFCT-UHFFFAOYSA-N 265.740 3.525 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc2cc(F)c(C)cc2s1 794253586 SRXNGMIDKBETLP-UHFFFAOYSA-N 290.363 3.732 30 20 CHED CCC#C[C@H](C)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 794671648 VYIXLKIZKFTQOF-DBVUQKKJSA-N 293.410 3.853 30 20 CHED CC(Cn1nc(C)cc1C)=NO[C@@H](C)c1ccc(C#N)cc1 794714371 FTXMQDNGLDBHKU-HNNXBMFYSA-N 296.374 3.525 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2ccnn2C(C)C)cc1C 794944969 JEZXNDYEUDRCOB-SREVYHEPSA-N 298.386 3.986 30 20 CHED FCCC[C@@H]1CCCC1=NNc1ncccc1F 794993098 IPPZHDCGMOUVEQ-JTQLQIEISA-N 253.296 3.538 30 20 CHED CC[C@H](C)c1ccccc1OC(=O)c1ccc(C#N)o1 796730750 FWIXCPIIFPQYNB-NSHDSACASA-N 269.300 3.884 30 20 CHED CCc1ccc(/C=C/COC(=O)c2ccc(C#N)o2)cc1 797184789 BVIRELXKDPDLIP-ONEGZZNKSA-N 281.311 3.584 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@@H](c2ccccn2)C1 799193389 JKNWZXDDWCLGOD-CQSZACIVSA-N 297.789 3.596 30 20 CHED CCc1cccc(C)c1NN=C(C)C[C@H]1CCOC1 799494080 AWLLWFJJGYTVBU-CQSZACIVSA-N 260.381 3.772 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1C#N 799494207 CFRMPBAXSKZHKC-XVNBXDOJSA-N 299.276 3.741 30 20 CHED COc1cc(/C=C\C(=O)c2cccs2)ccc1C#N 799495557 PHHXBJULOYMHDK-ALCCZGGFSA-N 269.325 3.524 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccccc1C#N 799498100 FGPZQHXDSNPBML-HJWRWDBZSA-N 277.323 3.771 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1cc(C)c(C)o1 799875942 HJFHVMVMJPIXJP-UHFFFAOYSA-N 278.302 3.688 30 20 CHED C=Cc1ccc(C(=O)OCCCC2(C#N)CCOCC2)cc1 800218303 ONFUZYIYBPGTPW-UHFFFAOYSA-N 299.370 3.587 30 20 CHED CCCC[C@@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 800387658 QPNSZHYRVCAAKO-VXGBXAGGSA-N 270.332 3.830 30 20 CHED CC#CC(=O)N[C@@H](CCC(C)C)c1ccc(Cl)cc1 801135609 CYOBAWROAXPGGM-HNNXBMFYSA-N 277.795 3.957 30 20 CHED C[C@@H](C#N)OCCNc1ccc2c(c1)C(C)(C)CC2(C)C 802743622 KDHQVDVBXMXCOP-ZDUSSCGKSA-N 286.419 3.986 30 20 CHED C#CCCCCCC(=O)O[C@@H](CC)c1ccc(F)cn1 803045221 QDYYMYRGNCQEMI-HNNXBMFYSA-N 277.339 3.799 30 20 CHED C=C(C)CCOC(=O)c1c(F)cccc1NC(=O)C(C)C 803356481 HKQGGUHAYHSZSK-UHFFFAOYSA-N 293.338 3.543 30 20 CHED C#C[C@@H](NC(=O)/C(=C\C)CC)c1ccc(Cl)cc1F 804423247 JWARWBRAOJOBQZ-PXTDYPQFSA-N 279.742 3.626 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc(C)cc(C)c1 804835205 QQQNNYWIAADUSM-UHFFFAOYSA-N 277.367 3.579 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@@H](C)[C@H]1C 806003299 BVCNPNZQEQUHGD-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED Cc1ccc(OC(=O)c2cc(C#N)ccc2Cl)cc1F 808786386 PBBRVRHTJONFRM-UHFFFAOYSA-N 289.693 3.878 30 20 CHED CSCC(C)(C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 810521559 PVYVQJKKELOACP-ZDUSSCGKSA-N 298.411 3.800 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(C2CC2)cc1 810662069 YVUZYFGJUXKYRF-UHFFFAOYSA-N 275.351 3.727 30 20 CHED C=CCCCCCCCNC(=O)N1CCC(OCC)CC1 811926862 DLKXDMHSTUHSIU-UHFFFAOYSA-N 296.455 3.724 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cn(C(C)C)nn1 812232981 OVCMIEJNXROZKY-UHFFFAOYSA-N 285.395 3.737 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1cccs1 812240350 MIDCBSZSXZZSMQ-XQRVVYSFSA-N 262.305 3.792 30 20 CHED CC[C@@H](/N=C\c1c(O)cccc1OC)c1ccc(OC)cc1 812396188 MLNCWNAEMBVKNN-BKAYVGFPSA-N 299.370 3.980 30 20 CHED CCOc1ccc(C=NNc2ccccc2F)cc1OC 812459311 XALOROQXCXKPCP-UHFFFAOYSA-N 288.322 3.679 30 20 CHED Clc1sc(C=NOCC2CC2)cc1Br 814245303 WNVOBOAMDVXYOP-UHFFFAOYSA-N 294.601 3.925 30 20 CHED CN(C)c1ccc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 815093651 PSTJDJAFIGNGAA-DNVCBOLYSA-N 297.446 3.624 30 20 CHED C=CCC(F)(F)C(=O)N(C)c1ccc(C(C)C)cc1 815820735 WOVLOSHAOWCIPY-UHFFFAOYSA-N 267.319 3.984 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 820224549 UDIJTQSQJZVBHX-BBRMVZONSA-N 272.392 3.593 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H](OC)c1ccccc1 821452314 VRSTVVREJSQJBO-AWEZNQCLSA-N 262.349 3.520 30 20 CHED C=CCN(CCc1ccco1)CC[C@H]1CC1(Cl)Cl 822831608 NHLLXJHGTGCTNT-LBPRGKRZSA-N 288.218 3.894 30 20 CHED C=CCCCC[C@H](C)NC[C@H](O)c1ccc(F)cc1 823573717 QBHUMOZVSHOROT-BBRMVZONSA-N 265.372 3.584 30 20 CHED C=CC[C@H](C)NC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 823871842 PELCQEGHENBOBD-SOUVJXGZSA-N 296.455 3.576 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCC[C@H]1CC)c1ccncc1 825857902 COTXAMPJSKUTGH-BMFZPTHFSA-N 272.392 3.641 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CC)C(=O)c1ccccc1 831601703 DMSHZXVTGJWITM-MRXNPFEDSA-N 285.387 3.533 30 20 CHED C[C@@H](NN=C1CCC[C@H](c2cccnc2)C1)C(F)(F)F 834997265 AVLXACBTKGATLF-MNOVXSKESA-N 285.313 3.636 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 836579733 OKOVDCSCJGGWAY-OAHLLOKOSA-N 294.345 3.778 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)C1CCC1)c1ccc(Cl)cc1 837663681 XSZTZWSHIBGOPI-XHDPSFHLSA-N 275.779 3.567 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H](C)Sc1ccc(OC)cc1 839036853 YAKDLFJIUZVIFR-CHWSQXEVSA-N 292.400 3.521 30 20 CHED C#CCC[C@H](C)OC(=O)c1cc(C)n(C2CCCCC2)n1 839038068 BHEKMTHQRKLNAH-AWEZNQCLSA-N 288.391 3.655 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCc2ccc(Cl)cc2)C1 839046706 QOHBGTKKCHCQDF-ZFWWWQNUSA-N 291.778 3.898 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3ccccc3)[nH]2)C1 839052289 PUWOTFFKODJMPH-UKRRQHHQSA-N 294.354 3.921 30 20 CHED CC[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 839053252 QRGGINYJZACWKF-WQVCFCJDSA-N 289.350 3.945 30 20 CHED C=CCC1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCCC1 839058407 OYGBBRMNMJYLKI-UONOGXRCSA-N 261.365 3.748 30 20 CHED N#CCCOCCN1CC2(CCCCC2)[C@H]1c1ccccc1 839185190 WRVZMQDTSVZKRC-GOSISDBHSA-N 298.430 3.924 30 20 CHED Cc1nc(NC(=O)C2(C)CCCCCC2)ccc1C#N 839416641 GGRSRXQBBIVOAG-UHFFFAOYSA-N 271.364 3.561 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H](C)C(=O)c1cccc(F)c1 840577837 PJOBMBBKRJOBRF-NSHDSACASA-N 278.323 3.542 30 20 CHED CCN(CC)c1ccc(/C=N\CC(C)(C)CC#N)c(O)c1 840711243 PUZSWRXTQOFPTP-UNOMPAQXSA-N 287.407 3.597 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc2c(c1)CNC2 841332444 PXNJQOLHWASZPR-UHFFFAOYSA-N 287.407 3.548 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cc(COC(C)(C)C)on1 841348846 MSYJWDMTNROCPT-INIZCTEOSA-N 295.379 3.635 30 20 CHED COc1cc(C=O)ccc1OCCC1(C#N)CCCCC1 842014897 JIOMCBJZBRXBRQ-UHFFFAOYSA-N 287.359 3.751 30 20 CHED C#C[C@@H](CC)OC(=O)c1csc(C2CCCCC2)n1 842336534 JAWVYHJPAZXLRF-LBPRGKRZSA-N 277.389 3.759 30 20 CHED N#C[C@@H](C(=O)CC1CC(F)(F)C1)c1nc(C2CC2)cs1 842941639 CBPAJCQKEPYXHZ-JTQLQIEISA-N 296.342 3.632 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc2ccn(CCC)c2c1 844542606 GJBVWCPKBJICSE-LBPRGKRZSA-N 287.363 3.679 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](C)c1oc2ccccc2c1C 845623772 QHHAPXKPQJNAEL-PWSUYJOCSA-N 288.347 3.608 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C(=O)C(C)(C)C1 847943851 SVQNQPZYTFCHJM-NWDGAFQWSA-N 266.381 3.526 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1ccc(Cl)c(F)c1 851204728 UIUUGJLRDSIUQA-JTQLQIEISA-N 297.757 3.893 30 20 CHED Cc1ccc(NN=Cc2ccc(O[C@H]3CCOC3)cc2)cc1 853255562 GUJHEUCBUCKZCH-SFHVURJKSA-N 296.370 3.609 30 20 CHED CO[C@@H](C=NN=C1c2ccccc2-c2ccccc21)C1CC1 853284164 RTGQYFSJNNTGQR-SFHVURJKSA-N 290.366 3.915 30 20 CHED FCC[C@@H]1CCCC1=NNc1ccc(Cl)cn1 853437449 OBXWFLXUGUCPQB-VIFPVBQESA-N 255.724 3.663 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(F)ccc1Cl 860198383 SXVSKGWLGPLQEU-UHFFFAOYSA-N 283.730 3.852 30 20 CHED CC1(C)CCC/C(=C/c2ccc3nccnc3c2)C1=O 871661726 UJSUUEGWLGFWMT-RAXLEYEMSA-N 266.344 3.792 30 20 CHED C=CCc1ccc(OC(=O)[C@@H](C)CCC)c(OC)c1 875122700 CSGNXMKNYHVLLF-LBPRGKRZSA-N 262.349 3.765 30 20 CHED CC1CCN(c2ccc(CNC[C@H](C)CCC#N)cc2)CC1 877024806 OZRVNLKBPBBIOF-QGZVFWFLSA-N 299.462 3.952 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N 884009912 MENHEQULLALKMF-UHFFFAOYSA-N 286.297 3.828 30 20 CHED C=C1CCC(C(=O)Nc2c(C)cccc2OC)CC1 890262858 STDAPFFFHCTLJK-UHFFFAOYSA-N 259.349 3.689 30 20 CHED C#Cc1ccc(NC(=O)C[C@@]2(C)CC2(Cl)Cl)cc1 891313831 ZYLQPWINRJYSAM-ZDUSSCGKSA-N 282.170 3.580 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)nc(C2CCC2)n1 893866472 HWRQLDAGBMPHRB-UHFFFAOYSA-N 272.396 3.794 30 20 CHED C=C1CC(c2noc(CCCOCCc3ccccc3)n2)C1 896884593 PABGNAWZCNMJDO-UHFFFAOYSA-N 298.386 3.695 30 20 CHED CC(C)(C#N)OC(=O)/C=C\c1ccc(C(C)(C)C)cc1 898914403 UCXHOPVBNITZPH-FLIBITNWSA-N 271.360 3.843 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(F)cccc1NC1CC1 900913801 XSFWVPBJSSHYSN-UHFFFAOYSA-N 276.355 3.941 30 20 CHED CS[C@H]1CCCC(=NNc2cc(C#N)cc(Cl)n2)C1 901206815 ZECXHYAKCTYJCB-NSHDSACASA-N 294.811 3.680 30 20 CHED CC(C)Oc1ccc(/C=C2/C(=O)c3nccn3[C@H]2C)cc1 901561575 USSXVKWOXDDGKY-XBUHWIKASA-N 282.343 3.511 30 20 CHED CCC[C@H](C(=O)OCCCCC#N)c1ccccc1 914623252 FCZSRXVTVPOIEB-HNNXBMFYSA-N 259.349 3.807 30 20 CHED CCc1ccccc1NN=Cc1ccccc1OC 915051417 FWIDDHNLVIICMY-UHFFFAOYSA-N 254.333 3.704 30 20 CHED Cc1n[nH]cc1C=NN=C(c1ccccc1)c1ccccc1 915936105 AUAPFKUJNCLANT-UHFFFAOYSA-N 288.354 3.590 30 20 CHED CC(=NNc1cncc(Cl)n1)c1ccc(F)c(Cl)c1 915958976 GAJATBGXSRBKCO-UHFFFAOYSA-N 299.136 3.759 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccc(Cl)cc1 916112690 FAHYDQDTMJVZPJ-UHFFFAOYSA-N 268.813 3.935 30 20 CHED CCCOc1ccc(C=NNc2cccc(C(=O)O)c2)cc1 916255303 QPVSCRXYZRUPOE-UHFFFAOYSA-N 298.342 3.620 30 20 CHED N#C[C@@H](C(=O)Cc1csc2ccccc12)c1ccccn1 916881541 CBLSGNWQQVFXSU-CQSZACIVSA-N 292.363 3.715 30 20 CHED C=C(Br)COC(=O)/C=C/Sc1ccccc1 918907690 WCAJFXHOTWZPAM-BQYQJAHWSA-N 299.189 3.744 30 20 CHED N#CCOc1ccccc1C(=O)N(C1CCCCC1)C1CC1 920000101 CSXHOHMDXNUEKA-UHFFFAOYSA-N 298.386 3.526 30 20 CHED Cc1cccc2c1[C@H](NCc1ccc(C#N)c(F)c1)CC2 926549162 DKANYYANZOUCDM-QGZVFWFLSA-N 280.346 3.783 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC2(CCCC2)CC1 933288860 MKGJOPPAQTXINY-UHFFFAOYSA-N 282.387 3.663 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1n[nH]c(CC)n1 935088074 VCOGTCBRRPNUPW-LBPRGKRZSA-N 298.390 3.575 30 20 CHED C=C[C@H](CC)CC(=O)NCC1CCC(F)(F)CC1 935838196 WPAJSSGHSPLYQF-LLVKDONJSA-N 259.340 3.530 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cnc(C(C)C)[nH]2)c1 1116117361 MGMOIVSHHBOUMO-UHFFFAOYSA-N 299.374 3.740 30 20 CHED C#CCCCCC(=O)Nc1cc(-n2cccc2)ccc1F 1116469719 FILOVNZJAAMCJR-UHFFFAOYSA-N 284.334 3.749 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1cc2cccc(OC)c2o1 1119908801 OBTCZPIFBQTMSU-LBPRGKRZSA-N 287.359 3.660 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1ccccc1OC 1120733184 ILGXTTFUZRVTPL-MRXNPFEDSA-N 287.403 3.585 30 20 CHED CN(C/C=C\c1cccc(F)c1)Cc1ccc(C#N)cc1 1204728980 JAQYXZVTGVJBKR-HYXAFXHYSA-N 280.346 3.843 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)[C@H](C)c2ccccc2)n1 1306986487 PAPJFJHXYULBLK-QWHCGFSZSA-N 280.375 3.515 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1nccc2ccccc12 1308624812 CNBTZVKVUWWYDE-KBPBESRZSA-N 267.376 3.777 30 20 CHED Cc1nc(C(=O)NCCCCCCC(C)C)ccc1C#N 1318439194 OCMKVNDGXHXIGK-UHFFFAOYSA-N 287.407 3.598 30 20 CHED N#Cc1ccc(CNCc2cnc(-c3ccccc3)s2)o1 1320080908 IWIYIQYKSKPFDQ-UHFFFAOYSA-N 295.367 3.565 30 20 CHED CC(=NNc1cccc2ccccc12)c1ccnc(C)n1 1320728629 ZIWPVWUHCLIXQO-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CCNc1ccc(C#N)cc1NCc1nc(C)sc1C 1324958865 USSGYUSYTMUENE-UHFFFAOYSA-N 286.404 3.676 30 20 CHED Cc1ncsc1CSCc1ccc(CC#N)cc1 1329036599 NOWPBVQKZPCDQN-UHFFFAOYSA-N 274.414 3.951 30 20 CHED COc1ccc(Br)cc1NC[C@@H](C)CCC#N 1330616514 VVFMLFKSJKHNFD-JTQLQIEISA-N 297.196 3.809 30 20 CHED N#Cc1cccc(N(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)C2CCC2)c1 1331919133 XJDCKZIMBDZSPA-RVKKMQEKSA-N 294.398 3.880 30 20 CHED Cc1ccc([C@H](C)NC(=O)CC#Cc2ccccc2)cc1 1340363759 LQQWFLRFUHNKEX-INIZCTEOSA-N 277.367 3.614 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(Cl)ncc1C 1340857302 MFPOWQZXVBLFOM-LBPRGKRZSA-N 278.783 3.614 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C2CC2)n1CC(=C)C 1342739224 SNGDPRLNFMHOMQ-HNNXBMFYSA-N 286.423 3.667 30 20 CHED CC(C)(C#N)OC(=O)c1nc(-c2ccccc2)oc1C1CC1 1343332520 VETCPWYIJROCQZ-UHFFFAOYSA-N 296.326 3.678 30 20 CHED C=C(CC)C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1348223550 WCJSLXQYIMGURJ-BLLLJJGKSA-N 273.376 3.571 30 20 CHED CC(C)CCCCC(=O)Nc1cnc(Cl)cc1C#N 1349666762 FQLMCPWMIMNMEO-UHFFFAOYSA-N 279.771 3.762 30 20 CHED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCF 1354575967 UBFKJBKSIZVRAJ-UHFFFAOYSA-N 288.347 3.975 30 20 CHED Cc1ccc([C@H](C)CNC(=O)c2cc(C#N)ccc2F)cc1 1360479432 ZIDHFPPZOHAXDQ-CYBMUJFWSA-N 296.345 3.539 30 20 CHED C[C@H](OC(=O)c1ccc2c(c1)CCC2)c1ccc(C#N)cc1 1361168712 KOZICJFHECHTLA-ZDUSSCGKSA-N 291.350 3.965 30 20 CHED C[C@@H](CC(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1436643633 QMVKNQFNUXTEIL-LBPRGKRZSA-N 282.318 3.830 30 20 CHED CC(C)(C)C1CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC1 1447753983 SWFNFBJKCKPCJB-KRWDZBQOSA-N 298.430 3.969 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCC2CCCCC2)n1 1460435533 MOXIIJXIZJUKMN-UHFFFAOYSA-N 271.364 3.561 30 20 CHED CCC[C@@H](CC)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1534571978 YUPGXVLKDRPRJD-CYBMUJFWSA-N 275.396 3.880 30 20 CHED CC1(C)CC[C@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1559186734 RUFYHCNJMSSINF-CQSZACIVSA-N 294.358 3.741 30 20 CHED Cc1ccc(N(C)Cc2cc(C#N)ccn2)cc1Cl 1559635516 DLVYVMCYSASZDN-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C[C@H](CC(C)(C)C)N[C@H]1CCc2cc(C#N)ccc21 1560805509 HSCKOHZWPZOECM-WBMJQRKESA-N 256.393 3.960 30 20 CHED CCCCCCCN[C@H](C(=O)O)c1ccc(F)c(C)c1 1595704545 TZKJKKZRJSCBRV-HNNXBMFYSA-N 281.371 3.820 30 20 CHED CCN(CCC#N)c1nc2c(F)cc(Cl)cc2s1 1612061363 PUKZAMAWTJYJQM-UHFFFAOYSA-N 283.759 3.829 30 20 CHED C[C@H]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H]1C 1629596123 NAGYAJCTKQBSIM-IUCAKERBSA-N 297.185 3.736 30 20 CHED Cc1cccc(C(C)(C)CNc2nccc(C)c2C#N)c1 1650697216 MEYYEJYZGLBDOO-UHFFFAOYSA-N 279.387 3.960 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@@H](CC(C)(C)C)C1 1654751498 FSKDBGFBQFVAKN-HNNXBMFYSA-N 286.419 3.825 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)NCC(C)(C)CC#N 1668916274 FBGVACKTJHSPLN-AWEZNQCLSA-N 293.455 3.974 30 20 CHED C=C(C)CN(CC)[C@H](C(=O)O)c1ccc(F)cc1Cl 1776140158 BPGUAUDUXQMJIN-ZDUSSCGKSA-N 285.746 3.503 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@H](C)c2ccccc2F)C1 1776154199 YTHLDMZQJBQIIC-DYVFJYSZSA-N 291.366 3.630 30 20 CHED C=CCC1(C(=O)O)CCN([C@@H](C)c2ccccc2C)CC1 1776157335 BZKLMTIUACCPTN-HNNXBMFYSA-N 287.403 3.799 30 20 CHED Cc1cc(=N[C@@H](C)c2cc3cccc(F)c3o2)cc(C#N)[nH]1 557684229 DTRSLQZSQHXGQF-NSHDSACASA-N 295.317 3.742 30 20 CHED Cc1ccc(C[C@@H]2CCCN(CCCC#N)C2)cc1 51063959 MXOAIHHGURTFEM-KRWDZBQOSA-N 256.393 3.553 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCCC[C@@H]1c1ccco1 336154889 QTAIHCUVYDQOJW-OAHLLOKOSA-N 298.342 3.810 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1cc(C)cc(C)c1 107394016 NETQPYBIXRAYNG-OAHLLOKOSA-N 274.408 3.972 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)C1 56817210 VZIQNTOIEHSYPQ-GOEBONIOSA-N 299.418 3.526 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1C 104817327 JFVOPDBGMXAIAN-WMLDXEAASA-N 299.418 3.668 30 20 CHED CCCCCCCCC(=O)N1CCC(C(=O)OCC)CC1 59253087 SDSIBBRVWBRLAD-UHFFFAOYSA-N 297.439 3.539 30 20 CHED C=CCNC(=O)Nc1ccc(C(F)(F)F)cc1Cl 111768235 LVCQPCXVCNUOJF-UHFFFAOYSA-N 278.661 3.666 30 20 CHED C[C@@H]1Cc2ccccc2N(Cc2cc(C#N)ccc2F)C1 109586492 WAYQLGJWSNTSNG-CYBMUJFWSA-N 280.346 3.896 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1ccc(F)cc1C#N 177564991 PGGLVBARAVWMGN-NSHDSACASA-N 274.339 3.852 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)C1CCCC1 172210492 NMRWCVMZRXFYOJ-GFCCVEGCSA-N 271.364 3.567 30 20 CHED C=CCCCC(=O)NCC1(c2cccc(Cl)c2)CC1 175738436 BOTZBMYGMNOESU-UHFFFAOYSA-N 277.795 3.844 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(C)cc2OC)cc1 55819327 YPNPATJEQNWKII-UHFFFAOYSA-N 297.354 3.821 30 20 CHED N#CCN(Cc1c(O)ccc2ccccc12)C1CCCC1 109760909 HUZPHMPMTMOXIP-UHFFFAOYSA-N 280.371 3.814 30 20 CHED Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2Cl)c1C 172035450 GLEAUTPCHNKDOP-MRXNPFEDSA-N 298.773 3.952 30 20 CHED C=CCOCCCC(=O)N(C)[C@@H](c1ccccc1)C(C)C 173377026 YVMAPPGKVURLJB-GOSISDBHSA-N 289.419 3.825 30 20 CHED CC(C)[C@H](C(=O)NCCCCC#N)c1cccc(Cl)c1 176488256 AHGFXOKSCUVKKT-HNNXBMFYSA-N 292.810 3.890 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)cc1 171981528 DUAIXNSCWPAZPR-BJMVGYQFSA-N 284.359 3.759 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)s1)C2 176939253 PUXZKYFBLJIQAC-XYOKQWHBSA-N 270.353 3.888 30 20 CHED C#Cc1cccc(NC(=O)c2scnc2C(C)(C)C)c1 176480667 JFLLEUMGKYZYJC-UHFFFAOYSA-N 284.384 3.674 30 20 CHED Cc1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1 113742970 FRJHXFHJCFRUOJ-UHFFFAOYSA-N 295.273 3.848 30 20 CHED C=CC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 110368886 ZNEJUHVIKZHBAW-INIZCTEOSA-N 257.377 3.605 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 305771870 KQZXHKYXAPJPRI-DNVCBOLYSA-N 296.414 3.726 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1262958294 XFIXFMKIGRWFIM-HOCLYGCPSA-N 298.434 3.667 30 20 CHED Cc1ccc(N(C)C(=O)C2(C#N)CCCC2)cc1Cl 113069490 ZKKVDOWETHYFDY-UHFFFAOYSA-N 276.767 3.695 30 20 CHED CCCN(CC#N)C(=O)c1cccc(Oc2ccccc2)c1 60542130 XROHRNYSKMIJCA-UHFFFAOYSA-N 294.354 3.855 30 20 CHED CCCn1nc(C)c(/C=C2\COc3ccccc3C2=O)c1C 178028730 GWJHPROXMRAVBN-GXDHUFHOSA-N 296.370 3.569 30 20 CHED CCCCCCCCC(=O)N1CCOc2ccncc21 174907771 ZIUHIYWTUWZOJV-UHFFFAOYSA-N 276.380 3.558 30 20 CHED N#Cc1ccc(NCC2(c3ccc(Cl)cc3)CC2)cn1 301541730 VOWVIEVADJLCJE-UHFFFAOYSA-N 283.762 3.750 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CCC)c1ccccc1 172055806 YNIINBVURNROMT-ZFWWWQNUSA-N 260.381 3.792 30 20 CHED N#C[C@H](NC(=O)c1ccc(Cl)o1)c1ccccc1Cl 172031754 BUWUEPODWBOZAK-JTQLQIEISA-N 295.125 3.581 30 20 CHED Cc1sc(NC(=O)c2ccc(Cl)nc2)c(C#N)c1C 20836511 PLWYBQRDMBMBJV-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C=C[C@H](CC(=O)Nc1cccc(C)c1O)c1ccccc1 179772014 DGPPNOOURAFKRL-CQSZACIVSA-N 281.355 3.999 30 20 CHED CC(C)c1[nH]ccc1C(=O)O[C@@H](CC#N)c1ccco1 1344935784 HEUITBBXKQRXBB-ZDUSSCGKSA-N 272.304 3.543 30 20 CHED N#Cc1cccc(OCCCCC(=O)Oc2ccccc2)c1 110156456 OXQPQNHQQQRGHQ-UHFFFAOYSA-N 295.338 3.713 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc(C#N)cc1[N+](=O)[O-] 301369013 ROWYWZBTWCKBOZ-KWCYVHTRSA-N 285.347 3.624 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 69333731 WHIBFZUTTAOWBU-ZDUSSCGKSA-N 295.382 3.858 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc(Cl)cc2)CC1 177911881 WJBAWITWBDJRII-ZDUSSCGKSA-N 278.827 3.641 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1c(C)noc1C)CC2 125426750 BGRXITZYZDFJKB-ZROIWOOFSA-N 267.328 3.812 30 20 CHED N#Cc1cccc(CN[C@H](c2ccccc2)c2cccnc2)c1 171440390 NNVUFNHULWONIN-HXUWFJFHSA-N 299.377 3.832 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2cccc(C#N)n2)C1 301279824 NRLJLPFSSPOFOG-SFHVURJKSA-N 277.371 3.511 30 20 CHED Cc1cc(C)cc(CCNCc2cc(C#N)cs2)c1 177705016 RRRSVOBRESBMAI-UHFFFAOYSA-N 270.401 3.569 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)nc2ccccc12 60624894 GNXDBKVNCPTXOD-UHFFFAOYSA-N 268.360 3.581 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)[C@H](C)C2 180083125 MOHWBLYWOPNZNZ-AUUYWEPGSA-N 276.383 3.890 30 20 CHED C=CCC[C@H](NC(=O)c1cnc(C)nc1C)c1ccccc1 182159520 CPEWCFHSCTZWIK-KRWDZBQOSA-N 295.386 3.531 30 20 CHED CCOc1ccc(Br)cc1N[C@H](C#N)CC 122232285 YPNGEUPUPKQMCF-JTQLQIEISA-N 283.169 3.562 30 20 CHED CC(=O)c1sccc1OCCCC(C)(C)C#N 186576906 ALIGPRBBMQZXMO-UHFFFAOYSA-N 251.351 3.659 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC[C@H]1C[C@H]2C=C[C@H]1C2 181132027 VTITYCBOAXHCCV-ZQDZILKHSA-N 268.360 3.602 30 20 CHED C=CCOc1cccc(CNc2c(C)nn(CC)c2C)c1 124407353 OSYISKPMAYJXMT-UHFFFAOYSA-N 285.391 3.697 30 20 CHED CCc1nc2c(s1)[C@@H](N(C)CCC(C)(C)C#N)CCC2 119985619 NAQGCLYXDCJAHR-ZDUSSCGKSA-N 291.464 3.955 30 20 CHED C=CCC[C@H](C(=O)Nc1ccncc1)c1ccccc1 187003427 ATCOOJYJOWNSLV-INIZCTEOSA-N 266.344 3.770 30 20 CHED C=CCN(CC=C)C(=O)NCCC1=CCCCCC1 185260691 MDCUCXMBEHSFJD-UHFFFAOYSA-N 262.397 3.651 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 125842066 NGQDGXZWJOLXLV-GZBFAFLISA-N 290.382 3.678 30 20 CHED Cn1ccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)n1 210492358 WHCPLIGZNBNMOE-HYXAFXHYSA-N 281.142 3.623 30 20 CHED CC(C)(C)[C@@H](NCC#N)c1cccc(C(F)(F)F)c1 181965476 RTYGEXBGZUMZTP-LBPRGKRZSA-N 270.298 3.906 30 20 CHED CC#CCCCC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C 410362205 UEDRTRHCXVOOBM-GUYCJALGSA-N 289.806 3.885 30 20 CHED C[C@@H]1CCN(CCC2(C#N)CCCCC2)CCS1 411629353 CNMGPSJWAJGSHL-CQSZACIVSA-N 266.454 3.678 30 20 CHED N#CC1(COc2cnccc2-c2ccccc2)CCC1 418965419 SUPIFJVMVFJQKU-UHFFFAOYSA-N 264.328 3.821 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(C)cc2)cc1 212446037 FQMXVFNQGUOHOD-UHFFFAOYSA-N 268.312 3.779 30 20 CHED CCCCOc1ccc(C(=O)N(C)[C@H](C#N)CCC)cc1 410826967 JPKPPVLGFWLKCY-HNNXBMFYSA-N 288.391 3.630 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H](C)c1ccncc1 121536816 VECLSSWNHIJTGE-CQSZACIVSA-N 287.407 3.554 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)CCc1ccccc1 120957510 WYFZMVPGNXUXIS-OAHLLOKOSA-N 271.404 3.892 30 20 CHED C=CCOc1cccc(NC(=O)Nc2ccc(O)cc2)c1 186576614 GGKPLFIGAWQEDK-UHFFFAOYSA-N 284.315 3.601 30 20 CHED Cc1nc(C(=O)Oc2ccc3ccccc3c2)ccc1C#N 31873470 IEPWSPUZOVXOIH-UHFFFAOYSA-N 288.306 3.634 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(F)cc1Cl 187793270 JITRDJPZOONCES-CQSZACIVSA-N 285.746 3.646 30 20 CHED CC(C)C[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 416344806 DMCFJDKJMQPLOT-INIZCTEOSA-N 284.403 3.626 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1ccc(F)c(C#N)c1 76824692 VLCVLGWDRLNNFY-JTQLQIEISA-N 280.368 3.558 30 20 CHED C=C(CC)CN[C@]1(Cc2ccc(Cl)cc2)CCOC1 502555056 XGBAQOXWRMQHDH-INIZCTEOSA-N 279.811 3.597 30 20 CHED C#CCCCCC(=O)N1CCC(C)(c2ccccc2)CC1 120050587 QGLPABOOHFKCBL-UHFFFAOYSA-N 283.415 3.760 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2ccco2)n1CC(C)C 127008137 ITSWLWZEZQPQIV-LLVKDONJSA-N 290.392 3.588 30 20 CHED Cc1ccc(C(C)(C)CN(C)CCCSCC#N)cc1 74991665 KQTPTJAJPOXKMP-UHFFFAOYSA-N 290.476 3.851 30 20 CHED C=CCC1(C(=O)Nc2ncc(CCCC)cn2)CCCC1 411072937 DPIQZSXFZHWEFH-UHFFFAOYSA-N 287.407 3.894 30 20 CHED CC[C@H](CC#N)OC(=O)Cc1coc2cc(C)c(C)cc12 187972558 IBJLGWLFNQKRSZ-CQSZACIVSA-N 285.343 3.828 30 20 CHED N#Cc1ccc(Sc2c(C#N)nnc3ccccc23)cc1 77192867 QDJBTTKEFFLYBM-UHFFFAOYSA-N 288.335 3.524 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@@H]1CCC[C@@H](C)C1 180202361 RKQGBLDJAAKNFT-HZSPNIEDSA-N 258.365 3.968 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@H](C)c1ccccc1 509344401 MZMXOULBPRYHRG-ZFWWWQNUSA-N 292.382 3.789 30 20 CHED CC#CCCCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 184982505 UAKQMUNIUZRHGQ-UHFFFAOYSA-N 295.386 3.621 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 185680361 CUNHUHYWQVGKEJ-SJLPKXTDSA-N 283.415 3.832 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC[C@H]1CCSC1 414541833 WXJCRFRYESQXSQ-CVEARBPZSA-N 261.434 3.517 30 20 CHED COC1(C/N=C/c2cc3ccccc3nc2O)CCCCC1 186844444 UJNQNPDALMZRDY-XDHOZWIPSA-N 298.386 3.709 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 73481242 YRXSXDOTNLWLSK-RDTXWAMCSA-N 275.351 3.681 30 20 CHED CCCOc1ccc(NC(=O)c2cccc(C#N)c2C)cc1 509297535 BDWZVDOZFBEPLT-UHFFFAOYSA-N 294.354 3.908 30 20 CHED CCOC1CC(COc2ccc(C#N)c3ccccc23)C1 419049602 BZVHBMROFKATDW-UHFFFAOYSA-N 281.355 3.905 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2ccc3scnc3c2)CCC1=O 328935764 FPXCUEXCFKWNTJ-UWVGGRQHSA-N 288.372 3.890 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc(-c2csc(C)n2)c1 80348558 XAYMQFYGNUMTKA-LLVKDONJSA-N 286.400 3.813 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn(CCCC)c1C 135136415 UIQNCZLGCYFFOU-HNNXBMFYSA-N 263.385 3.532 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(F)c1 45068155 JIAQBRQTFLHAAH-UHFFFAOYSA-N 271.291 3.643 30 20 CHED COc1ccccc1C[C@@H](C)N(C)Cc1cccc(C#N)c1 131926771 CGWCZPUNKVEBEB-OAHLLOKOSA-N 294.398 3.630 30 20 CHED C=CC1CCN(C(=O)c2ccc(C)cc2Cl)CC1 191610982 DCHVPMLMCSNIGR-UHFFFAOYSA-N 263.768 3.687 30 20 CHED CCOc1ccc2nc(SCCC(C)(C)C#N)[nH]c2c1 87596227 VMAODXXAMUHOLI-UHFFFAOYSA-N 289.404 3.994 30 20 CHED N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1)c1ccccn1 46439691 VGZBLVGEWIGJIC-MRZGDXHCSA-N 282.730 3.625 30 20 CHED CC1(C)[C@H](/N=C(/O)c2cccc3cc[nH]c23)[C@@H]2CCCO[C@H]21 329620904 MWWQKTDQEAMNEM-NUEKZKHPSA-N 298.386 3.676 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Br)cc1C 136166105 GSHNRUHJIQCVJW-ZDUSSCGKSA-N 295.180 3.636 30 20 CHED C=CCCCN(C)C(=O)Nc1ccc2cc[nH]c2c1 194272797 AHNIGXHHJHICSF-UHFFFAOYSA-N 257.337 3.598 30 20 CHED Cc1ccc(OCc2cccc(F)c2C#N)cc1C 427526718 DVGVZQBOZAFOAK-UHFFFAOYSA-N 255.292 3.893 30 20 CHED N#Cc1ccc(NCC#Cc2ccc(Cl)cc2)cc1 426319115 OBPRVQYFOPJYOZ-UHFFFAOYSA-N 266.731 3.675 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)CCCC(F)(F)F 424803659 MUHJNQQPMWNQAE-SNVBAGLBSA-N 265.319 3.826 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1cccc(OC)c1 421871898 GICMNLVVETYHAQ-MRXNPFEDSA-N 286.400 3.869 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)s2)c2ccccc21 336584733 YSMORHBXEDDXLF-LLVKDONJSA-N 282.368 3.774 30 20 CHED CC1(C#N)CCC(N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 336217818 SDTNGKFFWJPVFY-CXUOOODFSA-N 298.430 3.969 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N[C@](C)(C#N)C(C)C 513451531 HZNPCRBWZLBPSO-GDBMZVCRSA-N 264.413 3.647 30 20 CHED CC(C)(C)c1ccccc1C(=O)N1CCC(CC#N)CC1 334268443 BWRQQKNZAOTQGO-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C/N=C(/O)c1cccc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)c1 330383285 JQLQRIAXVPJQOW-CHWSQXEVSA-N 288.391 3.776 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](Nc1ccccc1)C(C)C 425149696 RSOBJIPMULHNFT-MRXNPFEDSA-N 288.435 3.842 30 20 CHED C[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](CCC#N)c2ccccc2)C1 428962480 AMLDQLOKUATFLF-PVAVHDDUSA-N 299.418 3.861 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCc1cccnc1 424886895 FBWDLKVGWQWBNQ-AWEZNQCLSA-N 274.408 3.511 30 20 CHED Cc1nc(CNc2cc(C#N)ccc2OC(C)C)cs1 339663557 GTLTVNOQAXOVIM-UHFFFAOYSA-N 287.388 3.723 30 20 CHED CCN(CCC#N)Cc1csc(-c2cccs2)n1 267029263 ATJIPLDDDJYOAF-UHFFFAOYSA-N 277.418 3.607 30 20 CHED N#Cc1ccc(Oc2ncnc3ccc(F)cc23)c(F)c1 92685627 YAUONGUTLXZTPE-UHFFFAOYSA-N 283.237 3.572 30 20 CHED CCC(CC)(CC)C/N=C(/O)N[C@@H]1CCCc2c[nH]nc21 331105605 GBANUDKFJZMILI-CYBMUJFWSA-N 292.427 3.507 30 20 CHED Cc1c(/C(O)=N/[C@]2(C)CC=CCC2)cccc1[N+](=O)[O-] 331356668 SFLAJGKOXBWZGP-OAHLLOKOSA-N 274.320 3.707 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(C#N)[nH]1 337428232 UBERANIGKAPEKR-QGZVFWFLSA-N 295.386 3.712 30 20 CHED N#Cc1ccc(COc2ccccc2)c(OC(F)F)c1 439551600 PGFCNGZFEADXGM-UHFFFAOYSA-N 275.254 3.739 30 20 CHED C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 335888365 KHZARPOUWHRLSG-STQMWFEESA-N 285.391 3.750 30 20 CHED CC(=O)c1ccc(C#N)c(NC2CCC(F)(F)CC2)c1 335143767 TYSNOGFALIDYHZ-UHFFFAOYSA-N 278.302 3.751 30 20 CHED Cc1nc2cccc(/C(O)=N/[C@H](C)CC(C)C)c2[nH]1 330425370 GCNIGZXWJJUBOC-SNVBAGLBSA-N 259.353 3.611 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCOC2(CCCCC2)C1 94367938 AIPHRHCMFCZWKE-CYBMUJFWSA-N 288.366 3.991 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(-c2ccco2)on1 523537611 WZHROQUDQICLCM-UHFFFAOYSA-N 288.347 3.753 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H]2C[C@H]2CC)c1 436325083 AQDAWPDDBQPVJD-IUODEOHRSA-N 274.364 3.562 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc2c(c1)CCC2 348063772 MXQVJSIWABQBNI-UHFFFAOYSA-N 285.391 3.627 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCN2C2CC2)cc1Cl 433805392 MRJIMJCAYHHWCH-HNNXBMFYSA-N 289.810 3.640 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc([C@H](C)OCC)s1 343246319 HPEVXPNMMZDKPE-NEPJUHHUSA-N 296.436 3.715 30 20 CHED CC(F)(F)c1ccc(CNc2cccc(C#N)n2)cc1 432157537 YKDLHJPGFRSCEZ-UHFFFAOYSA-N 273.286 3.677 30 20 CHED C=CCN(CC=C)[C@@H](CNc1nccc2occc12)C(C)C 525642450 WYNIFICUQXKEFX-INIZCTEOSA-N 299.418 3.938 30 20 CHED C[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 246236379 VKWJAHYGASFFLA-DVVUODLYSA-N 297.185 3.515 30 20 CHED N#Cc1cccc(SCCCc2ccncc2)c1 344768455 KEIMPNXALGYDJA-UHFFFAOYSA-N 254.358 3.678 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC[C@@H](C)C2)cc1 254492186 FGHBFLJBDNXLIJ-GFCCVEGCSA-N 275.421 3.848 30 20 CHED C=CC[C@H]1N(C(=O)CCCOC(C)C)CCCC1(C)C 347493828 WPYAGDYEZAZYNK-OAHLLOKOSA-N 281.440 3.785 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(C)c(OC)c1 600858822 HZXBLVJKHOVJJM-UHFFFAOYSA-N 297.354 3.853 30 20 CHED Cc1cccc(-c2ccc(NC(=O)CC(C)(C)C#N)nc2)c1 600831614 LZWPZIQLMFEIEQ-UHFFFAOYSA-N 293.370 3.935 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 529240357 CATDFJRUYYIYIZ-JOCQHMNTSA-N 288.366 3.518 30 20 CHED COc1cccc(C[C@H]2CCCN2c2ccc(C#N)cc2)c1 603873388 NWABZTHUFSUFID-GOSISDBHSA-N 292.382 3.778 30 20 CHED Cc1ccc(C#N)c(NCCOc2ccccc2C(C)C)n1 346817781 OIBCPUHITKFOFO-UHFFFAOYSA-N 295.386 3.876 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1CCCC[C@@H]1C 602393188 RNAXQEXZZBKANL-WFASDCNBSA-N 288.366 3.817 30 20 CHED Cc1nccn1CCCCSc1ccc(C#N)cc1F 347737802 MOAKUFUZUSDFSG-UHFFFAOYSA-N 289.379 3.775 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 604880261 LFDUEXAGHPRWFT-HUUCEWRRSA-N 289.419 3.967 30 20 CHED Cc1nnc(N[C@H]2CCC[C@@H]2c2ccccc2)c(C#N)c1C 609513892 CKCJIOGOIBYNCO-WBVHZDCISA-N 292.386 3.713 30 20 CHED CC[C@@H](NCCCC#N)c1cc(F)cc(Br)c1 346806708 KOBIIGHCGZQXHW-CYBMUJFWSA-N 299.187 3.933 30 20 CHED COc1cc(N[C@H]2CC[C@H](C#N)C2)ccc1C(F)(F)F 442857359 NBHJIOFGIITMGI-UWVGGRQHSA-N 284.281 3.818 30 20 CHED C=CC(C)(C)CNC1CCN([C@H]2CCCC[C@@H]2C)CC1 449484146 FOELHYUQGKKZAK-RDJZCZTQSA-N 278.484 3.831 30 20 CHED C=CCOc1cccc(CNCCc2ccc(C)cc2)c1 522536232 CAEKYUCFEDPPCK-UHFFFAOYSA-N 281.399 3.892 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc2c3c([nH]c12)CCCC3 604880406 KXGIUBXVAZFVRH-GFCCVEGCSA-N 282.387 3.741 30 20 CHED CSc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)o1 603432745 SFDMAKISCPSEOG-HNNXBMFYSA-N 284.384 3.650 30 20 CHED N#CCCCCN[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 602542404 WZTRMPWJXPIFQL-IEBWSBKVSA-N 297.446 3.638 30 20 CHED C=CCOCC(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl 354739384 XWUCGTIIIHAFOV-LBPRGKRZSA-N 293.794 3.595 30 20 CHED CCC[C@@H](CCc1ccccc1)NC(=O)C1(C#N)CCC1 265911906 IMRGONJXGMKYRR-INIZCTEOSA-N 284.403 3.598 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1cscn1 269958497 SOOLVVXRWDSHSI-UHFFFAOYSA-N 283.441 3.645 30 20 CHED C#Cc1cccc(NC(=O)C[C@H]2CCc3ccccc32)c1 261449590 DIRDUTIBXRSKTF-MRXNPFEDSA-N 275.351 3.727 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCCCCCOc1ccccc1 449546913 FMGQFWRJFYNHKZ-MSOLQXFVSA-N 289.419 3.559 30 20 CHED C=CCC(CC=C)C(=O)N=c1cc(-c2ccccc2C)[nH][nH]1 531833140 MUTKSJLSUGUEQZ-UHFFFAOYSA-N 295.386 3.514 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)[C@H](C)c1ccc(Cl)cc1 449697956 MLEBOJZRNNIUOM-HEHGZKQESA-N 281.827 3.749 30 20 CHED N#CCC[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1 359889456 YZOCRRNCHUQPTA-KGLIPLIRSA-N 292.329 3.583 30 20 CHED C=CCN(Cc1cccc2nccn12)c1ccccc1 355065896 WLEHOTVELQGZQK-UHFFFAOYSA-N 263.344 3.527 30 20 CHED C=C(CC)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 358617273 RRDAVKBXVYMDJT-UHFFFAOYSA-N 260.337 3.525 30 20 CHED COc1cccc2c(CN(C)[C@@H](C)CC#N)cccc12 449023246 OWRAGVQJWPXNON-ZDUSSCGKSA-N 268.360 3.582 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CC1CCC1)c1ccccc1 352252695 UEXXRZMHGGNQKN-CZUORRHYSA-N 272.392 3.792 30 20 CHED C[C@H](N(C)C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)C 530281105 DIWULRDRNMXGTI-ZDUSSCGKSA-N 286.419 3.994 30 20 CHED C=CCCSCc1ccn(-c2cccc(F)c2)n1 610092591 PIHYBPQKJOGOEI-UHFFFAOYSA-N 262.353 3.821 30 20 CHED C[C@]1(C#N)CCCN(Cc2nc(-c3ccccc3)cs2)C1 612406884 WARYJITWFIIJCJ-QGZVFWFLSA-N 297.427 3.936 30 20 CHED C=CC(C)(C)C(=O)N1CC2(CCC2)c2ccccc21 451133753 NQMSDTABLFCNMI-UHFFFAOYSA-N 255.361 3.667 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1OC(C)C 454467690 RGFRWCDBYXBWIF-UHFFFAOYSA-N 262.353 3.562 30 20 CHED C=C(C)CN(CC)Cc1ccn(CCc2ccccc2)n1 450241301 GODAJMLXOVVDHA-UHFFFAOYSA-N 283.419 3.524 30 20 CHED CCC[C@@H]1CCc2ccccc2N1C(=O)CCCC#N 361932434 ILXDRYJAOBZTSC-OAHLLOKOSA-N 270.376 3.828 30 20 CHED C=C1CCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1 264546725 JTWSQRJGKGEIAT-UHFFFAOYSA-N 292.382 3.516 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O 268531777 FNKHHQJSZHWXEP-HZPDHXFCSA-N 289.419 3.505 30 20 CHED Cc1ccc(F)c(CCN[C@H](C)c2cccc(C#N)c2)c1 453344977 JQMVSJKKGYOBTL-CQSZACIVSA-N 282.362 3.899 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)CC(C)C)c(C)cc1Cl 619433865 FQQDPWPLPBUMHU-GFCCVEGCSA-N 278.783 3.625 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 365989401 SAXHOBMAPZMSCX-NXEZZACHSA-N 269.797 3.540 30 20 CHED C=CCCc1noc([C@H]2C[C@@]23CCCc2ccccc23)n1 453233348 KCHOCKWIGDSVPS-CRAIPNDOSA-N 280.371 3.950 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)C(C)(C)C1 273671864 JEMWUCHOGQEHBS-CYBMUJFWSA-N 285.391 3.767 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](CC)C(F)F 452266905 UCQRZWBOYKSURD-LLVKDONJSA-N 285.359 3.738 30 20 CHED Cc1noc([C@@H](C)SCc2ccc(C#N)cc2Cl)n1 615161803 OLIKJBHOIRYELE-MRVPVSSYSA-N 293.779 3.898 30 20 CHED C=CCC1(NC(=O)[C@H]2CCO[C@@H](CC)C2)CCCCC1 456367087 NBRMCTWPTPJQMD-GJZGRUSLSA-N 279.424 3.587 30 20 CHED C=CC(C)(C)CNCc1c(C)nc2scc(C3CC3)n12 459571172 GFMNYSCPIBKCQU-UHFFFAOYSA-N 289.448 3.883 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1CCC1CCCC1 450160186 MRRUOCCXDXFDNZ-MRXNPFEDSA-N 299.418 3.770 30 20 CHED CC(=O)Nc1c(C)ccc(NCc2cc(C#N)cs2)c1C 610910313 HWTZFYJTIMZTGH-UHFFFAOYSA-N 299.399 3.807 30 20 CHED CC(C)(C(=O)Nc1cccc(OCC#N)c1)C1CCCC1 270241719 QNNUOWLCXJPZGU-UHFFFAOYSA-N 286.375 3.744 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2c2cccs2)c1 274312479 IHXARILKSBNKCJ-CYBMUJFWSA-N 299.355 3.869 30 20 CHED C=C(C)CCNC(=O)CC1CC(c2ccccc2)C1 452718734 QQUXBFUBUGNYQB-UHFFFAOYSA-N 257.377 3.653 30 20 CHED Cc1ccc2c(c1)CN([C@@H](C)c1cccc(C#N)c1)C2 361599769 DUBHAXPTHPNWDS-AWEZNQCLSA-N 262.356 3.944 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 451220071 WCNGXIGVQIWVNM-DFHBCGBQSA-N 282.387 3.713 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C 363832628 XBQXSEQTLBCKKY-HSMVNMDESA-N 290.432 3.605 30 20 CHED C=C1CCN(c2nnc(C3CCCC3)n2CC(C)C)CC1 549815731 SCFVFCKLLCEMBP-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CCC1(NC(=O)CC(C)(C)CC(C)=O)CCCCC1 456362594 HROXUYVBEHMURR-UHFFFAOYSA-N 279.424 3.777 30 20 CHED C=CCCc1noc(COc2ccccc2C(F)(F)F)n1 453247016 MUEJWTLCYKUPEP-UHFFFAOYSA-N 298.264 3.786 30 20 CHED CC(C)(CNCc1ccc(C#N)s1)Oc1ccccc1 540600665 VPQSCMKUSXPXFI-UHFFFAOYSA-N 286.400 3.567 30 20 CHED CC(C)(CC#N)CNC(=O)N(CC1CCCCC1)C1CC1 459261342 RIBNPYWYQCEPHD-UHFFFAOYSA-N 291.439 3.681 30 20 CHED C=CCC1(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)CCC1 366181703 VYVBURARRFMWOF-AWEZNQCLSA-N 259.393 3.524 30 20 CHED Cc1ccc2c(CCN[C@@H]3CCC[C@H](C#N)C3)c[nH]c2c1 274219100 PJBVTYUJQHMKFF-GOEBONIOSA-N 281.403 3.691 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CC(=O)c2ccccc2)CCCC1 450165602 YLQAQLQPPOBSGI-HNNXBMFYSA-N 299.414 3.901 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1c(F)cccc1F 271955378 BXMJVQUIDXSRBU-JTQLQIEISA-N 252.308 3.555 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)c(OC)c1)C1CC1 278699540 JLTFFWLMAXLPMN-UHFFFAOYSA-N 280.755 3.531 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(c2ncc(C)s2)CC1 278333373 ZSDUVLJEJGSVRQ-MRXNPFEDSA-N 292.448 3.760 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)c1cccc(OC)c1 620861143 COADFISCKRCJQK-CYBMUJFWSA-N 275.392 3.660 30 20 CHED C=CCCC(C)(C)NC(=O)CCCC(F)(F)F 620857998 RLZYIACUZOHHPZ-UHFFFAOYSA-N 251.292 3.580 30 20 CHED C=CCC[C@@H](C)Nc1ccc(COCCOC)cc1 624231646 FUFGOVRBKAODLW-CQSZACIVSA-N 263.381 3.616 30 20 CHED C=C(C)CCc1noc(CCc2c[nH]c3ccccc23)n1 285229692 VKEGUCPCDHSYCE-UHFFFAOYSA-N 281.359 3.845 30 20 CHED C=CCC(CC=C)C(=O)Nc1nnc(CCCCC)s1 467829247 DFAOHTLBWQDKBN-UHFFFAOYSA-N 293.436 3.978 30 20 CHED Cc1ccnc([C@@H](C)Nc2ccccc2O[C@@H](C)C#N)c1 286272913 VPRIREUHVHLJCO-UONOGXRCSA-N 281.359 3.854 30 20 CHED CC1=CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 281137400 UJKCPOKITNWOJT-UHFFFAOYSA-N 283.375 3.672 30 20 CHED C=C(C)CN(C)Cc1nc2ccc(Br)cc2o1 463161160 MLGSLGKWSDBHHT-UHFFFAOYSA-N 295.180 3.598 30 20 CHED N#Cc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1F 464642647 LSIJEGBBUWWIMG-QGZVFWFLSA-N 294.329 3.830 30 20 CHED N#Cc1cc(F)c(N[C@@H]2CCCC23CCOCC3)c(F)c1 370181673 HCWWAUOGJRZKAK-CQSZACIVSA-N 292.329 3.598 30 20 CHED C=CCN(C(=O)c1cn(CC)nc1C1CC1)c1ccccc1 633132581 CAHFIDKWZSQDGS-UHFFFAOYSA-N 295.386 3.613 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC(c2ccccc2C)CC1 285334940 KBGUHSNPIOWVEP-GOSISDBHSA-N 284.403 3.641 30 20 CHED CC1(NC(=O)c2cc(C#N)ccc2Cl)CCCCC1 284981022 ARVRBKBRHFDRAL-UHFFFAOYSA-N 276.767 3.664 30 20 CHED C=CCOc1ccc(CNC(=O)C(C)(C)CC(C)C)cc1 553068501 LECGPXHXFLSXKY-UHFFFAOYSA-N 289.419 3.940 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2cc(C#N)oc2C)cc1 280494966 CBWQFETWDZYVHT-LBPRGKRZSA-N 282.343 3.601 30 20 CHED N#Cc1cccc(C2(NCCSc3ccccc3)CC2)c1 556512328 NBCDFONLIRBKRQ-UHFFFAOYSA-N 294.423 3.929 30 20 CHED CC#CCCCC(=O)NCCCCc1ccc(F)c(F)c1 475956709 JUENMQVMBAOCEO-UHFFFAOYSA-N 293.357 3.597 30 20 CHED C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCC#N)CC1CC1 470173633 DWJOTPBHZMLJRP-UVTDQMKNSA-N 299.374 3.624 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2CC[C@H]2CC)cc1C#N 809636692 ZAJSGBJTOOPQIS-BXUZGUMPSA-N 287.363 3.727 30 20 CHED C#Cc1ccc(CNc2ccc3cnn(CC)c3c2)cc1 809633792 MBEKPSQVFIBUFJ-UHFFFAOYSA-N 275.355 3.650 30 20 CHED CC#CCCCC(=O)NCc1ccc(OC2CCCC2)cc1 551774639 GIBCUDUWYGOCEY-UHFFFAOYSA-N 299.414 3.818 30 20 CHED C#C[C@@H](CC)NCc1cc(-c2ccccc2)ccc1O 809686459 UGVRHVUSIVKWKL-KRWDZBQOSA-N 265.356 3.561 30 20 CHED Cn1cnc(/C=C\C(=O)c2cc3ccccc3s2)c1 800794512 IHEKCYCIQRBFBO-SREVYHEPSA-N 268.341 3.531 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 476709685 QRRHSPVVXGUZLV-DARAHFNDSA-N 297.402 3.813 30 20 CHED Cc1nn(-c2ccccn2)c(C)c1C=NOC1CCCCC1 802711873 DAZKANGDHJBTRI-UHFFFAOYSA-N 298.390 3.567 30 20 CHED C=CC(C)(C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 294536030 SFHAHZGTKQNXDE-UHFFFAOYSA-N 294.398 3.996 30 20 CHED C=CCN(CCC#N)Cc1csc(CCC(C)C)n1 292385081 ZKWBLYKMEBWOAD-UHFFFAOYSA-N 277.437 3.633 30 20 CHED C#Cc1ccc(CNCCc2cccc3cccnc23)cc1 809604521 LIAGQURMPKTGQL-UHFFFAOYSA-N 286.378 3.548 30 20 CHED Fc1cc(C=NNc2c(F)cccc2Cl)c(F)cn1 807985314 DWWKQJNAVJHRAL-UHFFFAOYSA-N 285.656 3.598 30 20 CHED CC(C)c1ccc2occ(C(=O)O[C@H](C)C#N)c2c1 805595659 RGEQUCDCZYTWGU-SNVBAGLBSA-N 257.289 3.625 30 20 CHED C=CCC[C@@H](O)CN(CC)[C@H](C)c1ccc(F)cc1 472756741 WCZPNZIAHPFHEG-CZUORRHYSA-N 265.372 3.536 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(C(F)(F)F)c1C 806349022 JXSOQCDKQFINKE-NSHDSACASA-N 298.308 3.937 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CC[C@H](SCC)C1 474086633 AHAWDDDEUFAVJJ-KBPBESRZSA-N 284.469 3.658 30 20 CHED CSC1(C=NNCc2cccc(Cl)c2)CCC1 800814641 ZDPVJDFBOLOVJR-UHFFFAOYSA-N 268.813 3.701 30 20 CHED C=C[C@H](CC(=O)N1CCC(F)(F)[C@@H](C)C1)c1ccccc1 290839586 HDTWUFNPYQMWNG-UONOGXRCSA-N 293.357 3.850 30 20 CHED CC/C=C(\C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 298945160 DYGBTDJODLNYFE-WTWVRAIASA-N 270.376 3.824 30 20 CHED CN(C(=O)C1(C#N)CCCCC1)[C@H]1CCCc2ccccc21 562506553 CLGODGSFRAJTHC-KRWDZBQOSA-N 296.414 3.996 30 20 CHED C=CCCc1noc(CCSCc2ccccc2)n1 297470285 YOJIQMZQMKUPQN-UHFFFAOYSA-N 274.389 3.664 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@H]2c2cccc(O)c2)n1 643118137 YOKXXPLFTZCIBU-UONOGXRCSA-N 270.332 3.555 30 20 CHED N#Cc1c(F)cccc1Oc1nc(C2CCCC2)ns1 561454162 AZCJWMDWWYAKPF-UHFFFAOYSA-N 289.335 3.999 30 20 CHED C=CCCCCCCCNC(=O)Cc1ccc2n[nH]cc2c1 811590860 OONSEXPQWGSYOL-UHFFFAOYSA-N 299.418 3.748 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNCc1cc(F)ccc1F 814809167 QFIFGINMZIUVIT-CYBMUJFWSA-N 291.345 3.760 30 20 CHED C=CCC1(C(=O)NC[C@@H](SC)C(C)(C)C)CCC1 480540932 YYHDMJHOTXODLV-GFCCVEGCSA-N 269.454 3.627 30 20 CHED CC(C)(C)NC(=S)NN=C1CC[C@H](c2ccccc2)C1 814750616 SRUIPQIOTVAIMX-ZDUSSCGKSA-N 289.448 3.573 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC[C@@H]1CCF 811667917 GROHWTDYKJUTBP-UONOGXRCSA-N 278.371 3.559 30 20 CHED Cl/C=C\CON=Cc1sc(Cl)nc1Cl 811672055 OWXBCQVNCWKBMT-ZOEVGWLASA-N 271.556 3.553 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](C)c1csc2ccccc12 812033202 ZKCPOHNWYINWDB-NWDGAFQWSA-N 286.400 3.625 30 20 CHED Oc1ccc(C2CCC(=NN[C@H]3CCSC3)CC2)cc1 814933043 BWTXZMHWFJFEJY-CVRLYYSRSA-N 290.432 3.501 30 20 CHED C=CCCCCCCCNC(=O)Cc1cn2ccccc2n1 811590187 SAQZNZSAXOZNLJ-UHFFFAOYSA-N 299.418 3.520 30 20 CHED Cc1cccc(C(=O)/C=C/c2cccc(F)c2C#N)c1 811686700 GPZHMGQAWJETBS-CMDGGOBGSA-N 265.287 3.902 30 20 CHED FC(F)CON=C1CC[C@@H](Cc2ccccc2)C1 814904005 MLLZXHVOXSYRKN-LBPRGKRZSA-N 253.292 3.667 30 20 CHED CC(C)CCn1cccc1C=NOC/C=C\Cl 811670214 ZMZDETZVFBTUPG-IMURNZGBSA-N 254.761 3.637 30 20 CHED CC#CCCNCc1ccc(-c2cccc(F)c2F)o1 483307649 NEZWIFFXUUPBHH-UHFFFAOYSA-N 275.298 3.728 30 20 CHED CC1(c2cccc(Cl)c2)CCN(CC2(C#N)CC2)CC1 483228231 CHJWSAOIWVBUMY-UHFFFAOYSA-N 288.822 3.997 30 20 CHED CCCc1cccc(C(C)C)c1NC(=O)NCCC#N 489089940 SQMMXVGMMFSBEV-UHFFFAOYSA-N 273.380 3.798 30 20 CHED C=CCCC1(C(=O)N2CCN(C3CC3)c3ccccc32)CC1 484163543 PSAOXLWTZBXGFL-UHFFFAOYSA-N 296.414 3.748 30 20 CHED C=CCC(F)(F)C(=O)OCc1c(F)cccc1Cl 815310430 XIMMHRXWDPYUPD-UHFFFAOYSA-N 278.657 3.734 30 20 CHED Cc1cccc2c1CCC2=NNc1nncc2ccccc12 729140609 JTXWVROZUCLFCY-UHFFFAOYSA-N 288.354 3.701 30 20 CHED C=CCCCCCCCNC(=O)Cc1nc(C)sc1C 810766298 HKZAPZDMGLFHSC-UHFFFAOYSA-N 294.464 3.945 30 20 CHED CC1CC(=NNc2ccc(C#N)cc2C(F)(F)F)C1 814923326 PINXNEYJESYUJU-UHFFFAOYSA-N 267.254 3.775 30 20 CHED Cc1ccc(C(C)(C)C/N=C/c2ccc(O)c(O)c2O)cc1 728438088 OIZKFDWMUXXBMQ-VXLYETTFSA-N 299.370 3.509 30 20 CHED CCOc1ccc(NN=C(C)c2occc2C)cc1 814983092 CEYMVSZPFUKNNQ-UHFFFAOYSA-N 258.321 3.823 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@]12CCc1ccccc12 489941001 KKWCWKRGXRBEQT-LPHOPBHVSA-N 283.415 3.609 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)Cc1ccccc1Cl 814310490 SEFYTZKSHHLBHU-LBPRGKRZSA-N 279.811 3.990 30 20 CHED Cn1ncc2ccc(C/N=C/c3cc(Cl)ccc3O)cc21 812445351 VMSXSYVQAWMSEI-GIJQJNRQSA-N 299.761 3.551 30 20 CHED CCC(=NNc1ccc(C)nn1)c1ccc(CC)cc1 729937854 HSKNGFOGYNTXHL-UHFFFAOYSA-N 268.364 3.574 30 20 CHED C#Cc1cccc(CN[C@H]2CCC[C@H](c3cccnc3)C2)c1 825227413 TVKLJZHPSDRCBH-ICSRJNTNSA-N 290.410 3.879 30 20 CHED C[C@H](COc1ccccc1)NC1CCC(C)(C#N)CC1 823716796 QWMYSBXSJIIKEH-HPUBIQBYSA-N 272.392 3.516 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H](OC)c1ccccc1 821452315 VRSTVVREJSQJBO-CQSZACIVSA-N 262.349 3.520 30 20 CHED C=CCN(CC=C)C(=S)Nc1ccc(OC(C)C)cc1 726435891 YPQOUPCBRCRAMP-UHFFFAOYSA-N 290.432 3.845 30 20 CHED C[C@@H](CN1CCCC(C)(C)[C@@H]1C#N)c1ccc(F)cc1 577179954 SWGNMFIMSSJBTN-BBRMVZONSA-N 274.383 3.943 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1c1ccc(C#N)nc1 572155639 NXISOXVPUDCAMS-CHWSQXEVSA-N 257.381 3.604 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccc(CC(C)C)cc1 729936247 MVMVCCRGTKUYSX-UHFFFAOYSA-N 282.391 3.820 30 20 CHED C#CCN(CC)C(=O)c1occc1CSc1ccccc1 490898736 LQISRJHMPJREQZ-UHFFFAOYSA-N 299.395 3.667 30 20 CHED Cc1cccc(NN=Cc2ccc(N(C)C)c(F)c2)c1 727649617 BGGHRYZAZSABAA-UHFFFAOYSA-N 271.339 3.646 30 20 CHED CS[C@H](C(=O)N(C)c1cccc(C#N)c1)c1ccccc1 583963949 LBLHCNJWXQMIHK-INIZCTEOSA-N 296.395 3.625 30 20 CHED Cc1ccn(-c2ccc(NC(=O)CCCCCC#N)cc2)n1 588166707 JBJBULJTTFDXGK-UHFFFAOYSA-N 296.374 3.593 30 20 CHED C=CCC1(NC2CCC(CC)CC2)CCOCC1 668552938 WPMBWACEMXXVJM-UHFFFAOYSA-N 251.414 3.670 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccc(OC)c(Cl)c1 726895481 JUOGKTNQHVSETH-UHFFFAOYSA-N 298.839 3.943 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)CC(C)(C)C#N 584014842 FBUHDHAUGCQOFZ-STQMWFEESA-N 264.413 3.599 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)c2ccccc2)cn1 728802391 VQDGLBLBLQLQOR-UHFFFAOYSA-N 278.355 3.510 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1cncc2ccccc12 490014889 RLENFYDBEKRVKB-UHFFFAOYSA-N 296.414 3.886 30 20 CHED C=CCN(C(=O)Nc1cccc(C(F)F)c1)[C@@H](C)COC 665932605 WQGQIQAPCZDCSR-NSHDSACASA-N 298.333 3.679 30 20 CHED C[C@]1(C#N)CCCN(C(=O)/C(F)=C\C2CCCCC2)C1 828292282 BNRMSFNPQBUXPS-HFQYIWAZSA-N 278.371 3.572 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2cc(C#N)ccc2F)CC1 827838213 IZPVPBVGPCDMIH-AWEZNQCLSA-N 288.366 3.596 30 20 CHED CCOc1ccccc1C=NNc1c(F)cccc1F 735618556 BTDURRKPGOIBSH-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C#C[C@H](NCc1ccc(C)nc1)c1ccc(Cl)cc1 491514861 KMHGQXKQSJXXBP-INIZCTEOSA-N 270.763 3.508 30 20 CHED C=CC(C)(C)CC(=O)N(c1nc2ccccc2o1)C1CC1 905866303 UVYQZWKGLRETES-UHFFFAOYSA-N 284.359 3.926 30 20 CHED N#Cc1cccc(-c2nc(-c3cccc4ncccc34)no2)c1 585731513 LGEWEOSVDZJXBM-UHFFFAOYSA-N 298.305 3.823 30 20 CHED Clc1ccc(C2=CCC(=NN3CCOCC3)CC2)cc1 834917315 FYCRHUJRBGIWSF-UHFFFAOYSA-N 290.794 3.596 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 835037172 PDODLSVBOBVKHE-HZSPNIEDSA-N 295.386 3.956 30 20 CHED CN(C(=O)NCC(C)(C)CC#N)C1CCCCCCC1 838753375 IRSVJWJLRYCVJV-UHFFFAOYSA-N 279.428 3.681 30 20 CHED C#Cc1cccc(NC(=O)C[C@H]2CCc3ccccc3C2)c1 732534486 RWBZNWXQJZPFIP-INIZCTEOSA-N 289.378 3.802 30 20 CHED C=CCN(C)C(=O)c1cccc(SC(F)(F)F)c1 832503287 WALMFKAQVUFNLL-UHFFFAOYSA-N 275.295 3.557 30 20 CHED C[C@@]1(CNC(=O)C2(C#N)CCCCC2)C[C@H]1c1ccccc1 580733344 HIEGIRPVNZWJQI-WMZOPIPTSA-N 296.414 3.770 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 733709839 YDAMAHQZKNKTKT-LBPRGKRZSA-N 296.370 3.896 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@]2(C)CC2(Cl)Cl)c1 837141172 GYYZCQBAVMDUDT-ZDUSSCGKSA-N 297.185 3.779 30 20 CHED C#CCOc1cccc(OC(=O)CCCCCC)c1 730500449 LCXRLLAEWSWIJG-UHFFFAOYSA-N 260.333 3.574 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)OCc1ccc(CC#N)cc1 835273910 TVWQYFYJKXTQCL-DYVFJYSZSA-N 271.360 3.622 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 837429334 PTQAUGVCECNJLK-SJORKVTESA-N 283.415 3.564 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCc1ccc(C#N)cc1C 835242523 QHYIFWNNQGLJSM-LBPRGKRZSA-N 299.292 3.889 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 836881342 RVWBKTABBSPUBN-SFHVURJKSA-N 298.430 3.758 30 20 CHED CCCCCCCCN1CCC([C@H](O)c2ncc[nH]2)CC1 839579207 UPHHDZLORQPXEO-INIZCTEOSA-N 293.455 3.516 30 20 CHED Cc1cccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1Cl 839053533 JHUUNADFSIYKMT-VXGBXAGGSA-N 277.751 3.888 30 20 CHED C=C(C)COC(=O)c1sc(C)cc1Br 838455554 RGZJBAWJZIBNMK-UHFFFAOYSA-N 275.167 3.552 30 20 CHED CC(=NOCc1nnc(C2CC2)o1)c1cc2ccccc2o1 742352399 QCKZTSPYEHXRAG-UHFFFAOYSA-N 297.314 3.634 30 20 CHED FCCCCCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 671241614 XFAZHNIBRBFZHT-RKDXNWHRSA-N 295.242 3.799 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)OCC(=O)c2cccc(C#N)c2)C1 748271897 XJOSBURNAMLNGG-KGLIPLIRSA-N 299.370 3.501 30 20 CHED C=CCN(CCc1ccccc1)C[C@@H](O)c1ccccc1F 744211475 RZTCVLUJRCSICP-LJQANCHMSA-N 299.389 3.590 30 20 CHED Cc1cc(C)cc(CC/N=C/c2cc([N+](=O)[O-])ccc2O)c1 740763561 KWXDWBXQMOLMDC-WOJGMQOQSA-N 298.342 3.579 30 20 CHED C[C@H](CCC#N)N1CCC2(C=Cc3ccccc3O2)CC1 595876848 DLLYEJGONXLGSE-OAHLLOKOSA-N 282.387 3.619 30 20 CHED C=CCCCCNC(=N)Nc1ccc(OC(C)C)cc1 849019704 AZKITFABSZZAPS-UHFFFAOYSA-N 275.396 3.766 30 20 CHED CC(C)Cn1nccc1CN[C@@H](CCC#N)c1ccccc1 592365927 JXVKXJNXYDOALH-SFHVURJKSA-N 296.418 3.674 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCC[C@@H](C)C3)[nH]c12 744160128 KNYIKECGQVYYDV-MRVWCRGKSA-N 295.386 3.874 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C=C2CCCC2)cc1 847042082 DIVXDQNDJGYWRR-KRWDZBQOSA-N 282.387 3.772 30 20 CHED CCCCCCCCCNC(=O)N(CC)C1CC1 916194347 VCBPQJLPOHIURW-UHFFFAOYSA-N 254.418 3.931 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(C#N)cc1 915051761 QKDMSKCCKLBLIC-UHFFFAOYSA-N 263.344 3.957 30 20 CHED COc1ccc(N[C@@H]2CCC[C@@H](SC)C2)cc1C#N 846749870 LIZAXHDPEXSWFN-TZMCWYRMSA-N 276.405 3.653 30 20 CHED CC[C@H](NC(=O)C(C#N)(CC)CC)c1ccc(F)cc1F 599539983 UDAUHRYPQDUERX-AWEZNQCLSA-N 294.345 3.862 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSCCC#N 840214793 YKEUYFICGIMHMS-RDBSUJKOSA-N 283.437 3.637 30 20 CHED CC(C)Oc1ccc(-c2cccc(C[C@H](C#N)CO)c2)cc1 596635633 HHHSGEGRTFHXTQ-MRXNPFEDSA-N 295.382 3.815 30 20 CHED N#C[C@H](C(=O)Cc1cccs1)c1nc(C2CC2)cs1 842939207 RWLUFUOIKGPIHW-LLVKDONJSA-N 288.397 3.501 30 20 CHED CC#CCOC(=O)c1c2c(nc3ccccc13)CCCCC2 744457333 OIQVOEZTQFFJTN-UHFFFAOYSA-N 293.366 3.684 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Oc1cccc(OCC#N)c1 841344518 XTFZRFRQAICGHO-CJNGLKHVSA-N 287.359 3.711 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 598569947 SDTCSOUQLOJCQE-GJZGRUSLSA-N 262.397 3.642 30 20 CHED CCC(=NNc1cccc(Cl)c1F)[C@H]1CCOC1 741839163 AJTUZRILFNABCR-VIFPVBQESA-N 270.735 3.694 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCCc1cccs1 847635027 VCDAQIIDYPNVDE-ZDUSSCGKSA-N 299.395 3.584 30 20 CHED CC(C)(C)[C@@H](NC(=O)N1CCC[C@H](C#N)C1)c1ccccc1 914121594 NZELIEUCTJPZLB-ZBFHGGJFSA-N 299.418 3.719 30 20 CHED C=CCCCOC(=O)c1cnc2ccccc2c1C 748929236 SNOPNLPOPJHPMI-UHFFFAOYSA-N 255.317 3.666 30 20 CHED Fc1ccc(C=NNCC(F)F)cc1-c1cccs1 740616513 IUSMXPUTFVGSNQ-UHFFFAOYSA-N 284.306 3.743 30 20 CHED Cc1ccc2c(C)cc(NN=Cc3cc[nH]c3)nc2c1C 745196353 HXYDHNYZOXZTPF-UHFFFAOYSA-N 278.359 3.934 30 20 CHED C=C(C)CCOC(=O)c1cccn1Cc1ccccc1 744304152 MNHYDVCKSOBFTI-UHFFFAOYSA-N 269.344 3.659 30 20 CHED C=CCC[C@@H](C(=O)OCc1ccn(CC)n1)c1ccccc1 844749878 TYCAYRMMVTXCHY-QGZVFWFLSA-N 298.386 3.696 30 20 CHED C#CCCCCC(=O)OCCc1nsc2ccccc12 845880876 WNQORIRBSIOJIA-UHFFFAOYSA-N 287.384 3.576 30 20 CHED CC(C)CON=Cc1csc(COc2ccccc2)n1 749636041 DTOVLGJGCBOOJH-UHFFFAOYSA-N 290.388 3.729 30 20 CHED C#Cc1cccc(NC(=O)C[C@H]2CCC[C@H](C)C2)c1 749785780 LEIHWABACSZCRE-ZFWWWQNUSA-N 255.361 3.823 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C(\C)CCC 745063878 PJRXHDCTFWMLJE-RVDMUPIBSA-N 282.387 3.819 30 20 CHED C=C(C)CNC(=O)CCn1c2ccccc2c2ccccc21 681749642 QGWDTTXTBVEHCG-UHFFFAOYSA-N 292.382 3.877 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)OCC1(CC#N)CC1 752509659 SNKCHCKOAURXBE-CYBMUJFWSA-N 263.381 3.830 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1ccc(Cl)nc1 759084693 WEJITVDOZFAAIV-YHYXMXQVSA-N 289.693 3.533 30 20 CHED CCO[C@H]1CC(=NO[C@@H]2CCCCO2)C1(CC)CC 755822143 GFJNUELDUUXSGB-UONOGXRCSA-N 269.385 3.501 30 20 CHED N#CCc1ccc(C(=O)OC/C=C/c2ccccc2)cc1 758681188 ZNUDBXGZNAEWTB-QPJJXVBHSA-N 277.323 3.623 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(-c2ccccc2)cc1 750575684 ZXXVOVWYMZQWCS-KRWDZBQOSA-N 278.355 3.776 30 20 CHED C#CCN(C(=O)c1csc(-c2ccccc2C)n1)C(C)C 928628693 CAFFPYUVQYMNSU-UHFFFAOYSA-N 298.411 3.602 30 20 CHED C=CCOc1ccc(C(=O)O[C@@H](C)c2ccncc2)cc1 757687761 OFFWQNHXFHYCRY-ZDUSSCGKSA-N 283.327 3.564 30 20 CHED C#CCCCC(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 757915781 PSWUTCXCMHGQNG-INIZCTEOSA-N 298.430 3.803 30 20 CHED C=CCCCc1nc(CCc2ccc(OC)c(F)c2)no1 854110792 NBVHTCANAKJXBI-UHFFFAOYSA-N 290.338 3.511 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(C)noc2C(C)C)C1 855440405 JDYDFMACNNTUKP-CYBMUJFWSA-N 276.380 3.535 30 20 CHED C=C[C@H](OC(=O)CCc1cccnc1Cl)C(C)(C)C 851008645 RZMZZXYATINMOO-LBPRGKRZSA-N 281.783 3.812 30 20 CHED C#CCCOC(=O)N1CCCC[C@H]1c1nc2ccccc2o1 859065525 FVCFMDVGOKGOKT-AWEZNQCLSA-N 298.342 3.515 30 20 CHED CCOc1cccc(/C=N/Cc2ccccc2C)c1O 920945017 MKTXDFNRRSMGLT-LDADJPATSA-N 269.344 3.718 30 20 CHED CC(C)c1ncc(C=NN[C@@H](C)c2ccccc2)s1 758375264 OTECWQRKISKZAQ-LBPRGKRZSA-N 273.405 3.951 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1cc(F)ccc1[N+](=O)[O-] 752875543 QLSHAVNXBNTEFG-FPYGCLRLSA-N 289.237 3.769 30 20 CHED C#Cc1ccc(C(=O)N(Cc2ccccc2)C(C)(C)C)nc1 754426777 KNDIXVIKQHGSCG-UHFFFAOYSA-N 292.382 3.504 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccccc2)c1O 920943465 LANDACORXVGVKG-UHFFFAOYSA-N 276.679 3.704 30 20 CHED C=C[C@H](Cc1nc(-c2cccc(N)c2)no1)c1ccccc1 759191978 GSLBNGPLGRMTMO-CYBMUJFWSA-N 291.354 3.831 30 20 CHED O=C(O)c1csc(C=NNc2ccccc2Cl)c1 755473614 WRMQLLAMSFMDDD-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CC(C)=C(C)C(=O)Nc1ccccc1SCCC#N 751378162 QVGMCNBYZLBETF-UHFFFAOYSA-N 274.389 3.987 30 20 CHED COc1cccc(/C=N\C[C@@H]2CCCC[C@H]2C)c1O 920387680 SJVDPZYMIDWKFV-PDNFYRSKSA-N 261.365 3.646 30 20 CHED O=[N+]([O-])c1ccc(Cl)c(C/N=C\c2ccccc2O)c1 756775645 OZJVQMXKSWKMHC-PXNMLYILSA-N 290.706 3.573 30 20 CHED C=CCC[C@H](C(=O)O[C@H](C)c1nccn1C)c1ccccc1 851575848 RCUUEOBPZGNTKI-ZBFHGGJFSA-N 298.386 3.774 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1cc2ccccc2o1 759320650 CKURPUCLNLHJAO-LBPRGKRZSA-N 256.301 3.841 30 20 CHED C#CC[C@@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 757623818 QRYUDIQTFICEHC-OAHLLOKOSA-N 271.335 3.665 30 20 CHED C=CCCCCCOC(=O)[C@H]1CCNc2ccccc21 850028811 DMBQHPBSKUEDSF-HNNXBMFYSA-N 273.376 3.875 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)c(O)c1 757477007 WQJLWKABLNBRFK-HYXAFXHYSA-N 290.265 3.581 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc([C@H]2C[C@H]2C)o1 761884304 DDKXGPGAAVTFRA-MFKMUULPSA-N 288.322 3.997 30 20 CHED C=CC[C@@H]1N(C(=O)COC2(C)CCC2)CCCC1(C)C 767228480 NRESTPJWWHTXIE-AWEZNQCLSA-N 279.424 3.539 30 20 CHED Cc1ccc2nc(C(=O)OCCCCC(C)(C)C#N)cn2c1 860300067 NNDVEUMWQDFOOX-UHFFFAOYSA-N 299.374 3.520 30 20 CHED C#C[C@H](CC)OC(=O)c1sc(-c2ccccc2)nc1C 768048572 JMNMQAIWXXCRRA-CYBMUJFWSA-N 285.368 3.687 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCCCc2ccco2)cc1 861019596 YBHPWLVDDGEFSO-UHFFFAOYSA-N 297.354 3.870 30 20 CHED CCN(CC)c1ccc(/C=N\[C@H](C)c2ccc[nH]2)c(O)c1 760227952 CFXBENNFIKJEOO-CQLSMYGBSA-N 285.391 3.747 30 20 CHED Cc1ccc(F)c(NN=Cc2cnc(C3CC3)s2)c1 761817797 ORBHSDLCPDMZPP-UHFFFAOYSA-N 275.352 3.914 30 20 CHED O=C1/C(=C/c2cncs2)[C@H]2CCCc3cccc1c32 763291539 ZAMXKZCTYBTUTH-CWZJEYLYSA-N 267.353 3.843 30 20 CHED CCCCCCCCOCC(=O)Nc1cccc(F)n1 767172060 VRDRYUWQUTWXSU-UHFFFAOYSA-N 282.359 3.536 30 20 CHED CC(C)(C)Oc1cccc(CNCCCCC#N)c1 865448275 CMUWORJEZCZXSD-UHFFFAOYSA-N 260.381 3.647 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 765318392 IEYSALZLYCJATO-ROUUACIJSA-N 299.414 3.607 30 20 CHED CCc1ccc(C=NNc2cc(C#N)cc(Cl)n2)cc1 768377224 YYVKHJIKCQVCGZ-UHFFFAOYSA-N 284.750 3.615 30 20 CHED CCCCCN(C(=O)Nc1ccc(C#N)cc1)C(C)C 47274845 IYZYPTMZWKNJGN-UHFFFAOYSA-N 273.380 3.991 30 20 CHED CO[C@@H](C)C(C)=NN=C(c1ccccc1)c1ccccc1 763117804 XJNOKYRBLGAPSQ-HNNXBMFYSA-N 280.371 3.935 30 20 CHED CCO[C@@H]1CCCC1=NNc1cccc(Cl)c1 766431292 PTNBLWYMTUIOTG-CYBMUJFWSA-N 252.745 3.697 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](C)c2cccc(O)c21 768664866 QOEBFQGIYPYVOI-CQSZACIVSA-N 285.387 3.816 30 20 CHED CC[C@@H](CNc1cccc(CC#N)n1)Oc1ccccc1F 1116662406 WRLUUYRAGXQFKM-AWEZNQCLSA-N 299.349 3.556 30 20 CHED Cc1cc(F)cc(C(=O)OCc2ccc(CC#N)cc2)c1 776114992 RHQFKZWMVUYOQE-UHFFFAOYSA-N 283.302 3.557 30 20 CHED C[C@H](Nc1ccc(N(C)C)cc1)c1ccc(C#N)c(F)c1 777602300 KDRLLSUXULKRMA-LBPRGKRZSA-N 283.350 3.936 30 20 CHED CCOCCON=C(C)C(C)(C)c1ccc(F)cc1 774416094 AFLSPTMBWAFQLG-UHFFFAOYSA-N 267.344 3.532 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Cc1ccccc1CC#N 776750620 ILLXXNQWWGODHM-OAHLLOKOSA-N 292.382 3.515 30 20 CHED C=CCC[C@@H](C(=O)OCc1cc(C)on1)c1ccccc1 778558547 CNMXLSZDTIRYNU-MRXNPFEDSA-N 285.343 3.776 30 20 CHED N#CC1(CN[C@H](c2cccs2)C2CCCC2)CC1 776007388 KFHDBKHRRPCWJF-AWEZNQCLSA-N 260.406 3.873 30 20 CHED CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H](C)CCC#N 876584913 SMYXXBLZESYYGX-INIZCTEOSA-N 287.451 3.903 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CC2(CCC2)Oc2ccccc21 877095181 PFAWZTAKTOFMTK-HOCLYGCPSA-N 284.403 3.962 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(Cl)c1O 878822227 JYBMFPZXPBAQIP-UHFFFAOYSA-N 253.729 3.586 30 20 CHED CCCCCCOc1cccc(C=Nn2ccccc2=O)c1 776793053 WRTPBIVJDJSQQC-UHFFFAOYSA-N 298.386 3.690 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CCc2cc(F)ccc21 772987960 NGOJTXACCGCTOV-GOSISDBHSA-N 295.357 3.615 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)c1ccccc1CC 770564054 QYMXMDZYONCWEV-UHFFFAOYSA-N 297.329 3.652 30 20 CHED Cc1ccnc(Cl)c1OCc1cc(F)ccc1C#N 779641352 FMIWGFFNTUMJCL-UHFFFAOYSA-N 276.698 3.633 30 20 CHED N#C[C@@H](OC(=O)/C=C/c1ccccc1)C1CCCCC1 776360621 CIVWHYPIMCMYGW-LPQFERQCSA-N 269.344 3.715 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1ccc(CF)cc1 777543230 YKBCEUYFKSOQJO-UHFFFAOYSA-N 289.354 3.562 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1cc(Cl)ccc1F 773162204 UBFSAQGREJRORD-NTUHNPAUSA-N 298.704 3.843 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cc(-c2ccccc2)on1 776016611 SGKBZVIHGRYXEL-CQSZACIVSA-N 298.386 3.745 30 20 CHED C=C1CCC(C(=O)OCc2coc(C(C)C)n2)CC1 885650193 YYKHTYJUEVHQRP-UHFFFAOYSA-N 263.337 3.588 30 20 CHED C[C@@H]1C[C@@H](C/N=C\c2c(O)ccc3ccccc23)CCO1 770569173 RGBKVTNSLIDZFN-XYCUDVCBSA-N 283.371 3.779 30 20 CHED CCNC(=S)Nc1ccc(Oc2ccccc2)c(C#N)c1 777476491 MBFMFOXNNBCTSC-UHFFFAOYSA-N 297.383 3.657 30 20 CHED C=CCN(C(=O)[C@H](C)CSCc1ccccc1)C(C)C 773013750 SZMUUZUHTHWPRF-OAHLLOKOSA-N 291.460 3.979 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887702142 ZOMGXTUKLFEIJS-IBGZPJMESA-N 296.414 3.867 30 20 CHED Fc1cc(NN=Cc2ccc(OC(F)(F)F)cc2)ccn1 781132375 KKXYWNXPJBXIFR-UHFFFAOYSA-N 299.227 3.565 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1cc(O)cc(O)c1 782348877 VGDAPRMZROPENP-DUXPYHPUSA-N 291.306 3.542 30 20 CHED Cc1ccc(C(=O)OCCCCC#N)c(F)c1Cl 789072068 KMZHHDCWSFOAMW-UHFFFAOYSA-N 269.703 3.638 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1F 1126354637 WXZTZIIHKHMEOF-LRDDRELGSA-N 288.366 3.738 30 20 CHED CC(C)N(CCC#N)C(=O)Cc1cc(Cl)cc(Cl)c1 599234782 PCEPXSQULGQONG-UHFFFAOYSA-N 299.201 3.687 30 20 CHED C[C@@H](C(=O)O[C@H](CC#N)c1ccco1)c1ccccc1F 1123464388 ZLJHIFLAHWWKLN-IAQYHMDHSA-N 287.290 3.720 30 20 CHED C(=NOC1CCCC1)c1cnc(-c2ccco2)s1 782268413 QIJCRPGLFMWNOV-UHFFFAOYSA-N 262.334 3.696 30 20 CHED CCc1cccc(CON=Cc2c(C)nc3sccn23)c1 786743810 JESVILCDXUQQTM-UHFFFAOYSA-N 299.399 3.817 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1ccc(Cl)cn1 782288740 RQYSGSHBZLHMRK-CYBMUJFWSA-N 265.788 3.627 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc(O)c(Cl)c1 782288498 PQXKOFFBBVZUKF-CYBMUJFWSA-N 266.772 3.548 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 787144494 MZKJRWXNFVSTJU-NXEZZACHSA-N 297.807 3.988 30 20 CHED COc1c(C)cc(C(=O)O[C@H](CC#N)c2ccco2)cc1C 1123463328 RJRAOOQXGGJRRA-OAHLLOKOSA-N 299.326 3.717 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 1121252954 KCSRWRAJMSHUIE-SOUVJXGZSA-N 290.794 3.594 30 20 CHED CC(=NOCCc1ccc2ccccc2c1)c1cnn(C)c1 783554862 LZBJEXFOALKMSO-UHFFFAOYSA-N 293.370 3.557 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1nc2ccccc2[nH]1 783791537 WGTNQSPQGRVKSY-MNOVXSKESA-N 256.353 3.787 30 20 CHED COc1cc(-c2ccccc2)ccc1C=NNCC(F)F 781127566 NWGFWGVWMDYKKW-UHFFFAOYSA-N 290.313 3.551 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1sc(C(C)(C)C)nc1C 788035814 BQWVRCPANIOKJI-GFCCVEGCSA-N 296.436 3.526 30 20 CHED CC(C)C(=NOC[C@@H]1CCOC1)C1CCCCC1 788031710 XYEUFWIEXNSEKZ-CYBMUJFWSA-N 253.386 3.632 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1cscn1 782352549 VKZSMUHZIQTDOD-DUXPYHPUSA-N 266.325 3.587 30 20 CHED CCCCC[C@H](NC(=O)NCCC#N)c1ccccc1 787359164 YRALBQAVKMGCCN-HNNXBMFYSA-N 273.380 3.521 30 20 CHED CCC1(C=NNc2cc(F)c(F)cc2F)CCOCC1 781127306 LVQAKHOLKNGOMP-UHFFFAOYSA-N 286.297 3.708 30 20 CHED COc1cccc2cc(C(=O)OCC3(C#N)CCCC3)oc12 780532620 ZGUOLCWLEXXBAK-UHFFFAOYSA-N 299.326 3.682 30 20 CHED N#Cc1cc(Cl)ccc1NCc1cccc(O)c1 83431040 RXARQJZKPPKVCP-UHFFFAOYSA-N 258.708 3.529 30 20 CHED CCc1cccc(NC(=O)/C=C/C(=O)c2ccc(C)cc2)c1 899932482 RIHPXKAXMVVNDX-VAWYXSNFSA-N 293.366 3.935 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H]2Cc2ccccc2)CC1 896828164 ZQKWGGJOKCGRMH-QGZVFWFLSA-N 269.388 3.576 30 20 CHED C=C(Cl)CN[C@@H](C)c1cccc(C(F)(F)F)c1O 788646880 TUJOWGBNAVVBKM-QMMMGPOBSA-N 279.689 3.814 30 20 CHED Cc1cc(C(=O)/C=C/c2c(C)cc(Cl)cc2C)n(C)n1 789158826 HVTVRGHYQIZJOT-AATRIKPKSA-N 288.778 3.895 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1ccc(C#N)cc1F 1138191110 VGZDWIAYPMWZAO-UHFFFAOYSA-N 297.333 3.690 30 20 CHED C#Cc1ccc(C(=O)Nc2c(CC)cc(C)cc2CC)cn1 797361302 SBXTTZHJVTVSOT-UHFFFAOYSA-N 292.382 3.748 30 20 CHED C[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)C 793517419 HLYPWQKONJKYDH-CYBMUJFWSA-N 286.419 3.900 30 20 CHED COc1cc(C=NNc2cc(C)cc(C)c2)ccc1C#N 799471687 IPNXIENKQHUTRV-UHFFFAOYSA-N 279.343 3.630 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)CSc2ccccc21 899340659 IHQBKWAPNYANRV-JYRVWZFOSA-N 296.395 3.980 30 20 CHED Cc1nc(C(C)C)oc1C(=O)O[C@@H](C)c1cccc(C#N)c1 796194250 KPJJZAKAZNXYGU-LBPRGKRZSA-N 298.342 3.896 30 20 CHED C=CCCCCCCCNC(=O)c1ncccc1Cl 794516619 WGJGSUWUXMNLMM-UHFFFAOYSA-N 280.799 3.991 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cccc(SC)c1)OCC 797034486 DJJWTDXAYVSZQO-OAHLLOKOSA-N 294.416 3.823 30 20 CHED CCCCCC[C@](C)(CC)C(=O)N1CC(C)(C#N)C1 797762451 ZBQGFWBSQJKYEN-INIZCTEOSA-N 264.413 3.745 30 20 CHED CC(C)[C@H]1CN(Cc2cccc(F)c2C#N)[C@H]1C(C)C 1205789169 KTPBMEUEKDGWDG-WBVHZDCISA-N 274.383 3.810 30 20 CHED CC(=NNc1ncccc1C)c1c(C)cc(C)cc1O 799885762 BVFHTPJNPVIPDP-UHFFFAOYSA-N 269.348 3.549 30 20 CHED Cc1ccc(-c2nc(-c3cccs3)no2)cc1C#N 799760109 AFBBXBBRGSLRSZ-UHFFFAOYSA-N 267.313 3.645 30 20 CHED Cc1nc2c(C(=O)O[C@@H](C#N)C3CCCCC3)cccc2o1 795699111 SMFCZWWMSZBZGZ-HNNXBMFYSA-N 298.342 3.766 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1)C1CCCC1 513488217 QZLXYYODPNONPF-UHFFFAOYSA-N 256.393 3.864 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(Cl)cc1 187525775 QCIRBDWLFGPSNW-UHFFFAOYSA-N 278.783 3.884 30 20 CHED CC(C)c1occc1C(=O)Oc1ccc(C#N)cc1F 796825458 HFEXHOUSZNIJMN-UHFFFAOYSA-N 273.263 3.633 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(C)cc2Cl)c1 192310620 MQKSIAWCXUVRFP-UHFFFAOYSA-N 269.731 3.882 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 791068110 OOTDUQOWLBFWMC-RUDFYFPKSA-N 296.414 3.676 30 20 CHED COc1ccc(/C=C2\COc3cc(F)ccc3C2=O)cc1C 794728899 WWRADXBVLHUVEK-MDWZMJQESA-N 298.313 3.801 30 20 CHED C#C[C@H](CCC)NC(=O)c1coc2cc(C)c(C)cc12 791739509 FJNUESLJTIUDOA-CYBMUJFWSA-N 269.344 3.581 30 20 CHED C#C[C@@H](CC)NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 754354965 YXTZENAHBJLBPJ-NSHDSACASA-N 289.684 3.500 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(C#N)c(F)c2)cc1 1219030663 HMFZBNXKTSNGIU-UHFFFAOYSA-N 283.306 3.674 30 20 CHED N#CC1(c2ccccc2)CC(Nc2ccccc2F)C1 86036083 BHLADBUJKITEBC-UHFFFAOYSA-N 266.319 3.862 30 20 CHED C#CCCCCN[C@H](C)c1ccc(OC(C)C)cc1 90398043 HELNDXKPXYNCSV-OAHLLOKOSA-N 259.393 3.928 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@H]2C=CCCC2)c1 777640323 UCVFLAXZUOVHAO-INIZCTEOSA-N 267.372 3.767 30 20 CHED N#Cc1cccc(OCCSc2cccc(F)c2)c1 94623150 QSMSVLUOZLCAIO-UHFFFAOYSA-N 273.332 3.868 30 20 CHED CC(C)[C@H]1N(c2cccc(C#N)n2)CC12CCCCC2 1163459908 VPEOVWUXYHJPTB-MRXNPFEDSA-N 269.392 3.748 30 20 CHED C[C@H](C=NNc1ccc(C(C)(C)C)nn1)c1ccccc1 1318681509 LJQKBKSJEAGZPP-CYBMUJFWSA-N 282.391 3.976 30 20 CHED CCC[C@@H](NCc1cccc(OCC#N)c1)c1cccnc1 1320252672 IQPXRANUZSIQPY-GOSISDBHSA-N 295.386 3.615 30 20 CHED Cc1ccccc1-c1nnc(-c2ccc(C#N)s2)o1 1327277800 KQZWXVJGAJVSIY-UHFFFAOYSA-N 267.313 3.645 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(-c2ccccc2)s1 1322331971 GAXAGRZUQDSZCB-ZDUSSCGKSA-N 284.384 3.837 30 20 CHED CC#CCCCC(=O)Nc1cc(-n2cccc2)ccc1F 1320279483 IPOBQFBXAAMCQJ-UHFFFAOYSA-N 284.334 3.749 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1c1nnc(-c2cccc(C#N)c2)o1 1327001550 YQBWQPFXAQLQJQ-CZUORRHYSA-N 267.332 3.758 30 20 CHED C=CCC(C)(C)c1nnc(CCc2ccc(OC)cc2)o1 1327348127 KZWKMFCVQRWPRY-UHFFFAOYSA-N 286.375 3.717 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1csc(C#N)c1)C1CC1 1325105332 YXSCWIMHWIJUGI-QWRGUYRKSA-N 276.405 3.659 30 20 CHED N#CC1(c2nnc(-c3ccc(Cl)cc3F)o2)CCCC1 1322393927 MNZRSHRLGUYTHA-UHFFFAOYSA-N 291.713 3.864 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 1337479870 PEUHYKGRIBBXPB-SNVBAGLBSA-N 253.729 3.504 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](C3CCCC3)C2)CC1 1333316639 OVNDHSOQGISVKB-INIZCTEOSA-N 261.409 3.772 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(C3CC3)cc2)c1 1194171668 FWCCICUHIUUTIL-UHFFFAOYSA-N 276.339 3.882 30 20 CHED CC(C)O[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 1348469730 XXANZMVMPCLGAX-KRWDZBQOSA-N 294.354 3.663 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)C1 1264797852 ZOWDNAZBLQWDMB-RYUDHWBXSA-N 290.794 3.768 30 20 CHED C=CCOc1ccc(C(=O)N(CC(F)F)C2CCC2)cc1 1262111248 AHGFTSBAPVTPNN-UHFFFAOYSA-N 295.329 3.511 30 20 CHED Cc1ccc(CCOC(=O)C[C@@H](CC#N)c2ccccc2)o1 1343897713 ZHEMAMDLLHMMJL-MRXNPFEDSA-N 297.354 3.761 30 20 CHED C#C[C@H](OC(=O)[C@H](F)CC)c1cccc(C(F)(F)F)c1 1343746386 UWILZUCZQFENJC-NEPJUHHUSA-N 288.240 3.671 30 20 CHED CCN(CCC#N)C(=O)[C@H](C)Sc1ccc(Cl)cc1 103208008 USEQNKIJBBWPLH-NSHDSACASA-N 296.823 3.583 30 20 CHED N#CC1(CC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CCCCC1 1435332645 KWRJIUPFMYNWJZ-HZPDHXFCSA-N 288.435 3.936 30 20 CHED Cc1cc(C)c(CC(=O)O[C@H]2CCC[C@@H](C#N)C2)c(C)c1 1528081599 OWGVRVURPAMUPM-CVEARBPZSA-N 285.387 3.780 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1C[C@H](OC(C)C)C1(C)C 1462071393 PEUZCKKKQQIZNX-CVEARBPZSA-N 288.391 3.571 30 20 CHED CCCCCCCNCc1ccc(C(=O)O)cc1F 1605267792 ZXQOWNZFGMJKKD-UHFFFAOYSA-N 267.344 3.584 30 20 CHED C[C@@H]1c2c(sc(NC(=O)[C@@H]3C[C@@H]3F)c2C#N)CC[C@H]1C 1544833218 RBGJECHAQLMEPX-LOKLDPHHSA-N 292.379 3.602 30 20 CHED CCc1ccc(NCc2cccc(C(=O)O)c2C#N)cc1F 1610064621 PRQONMNYMRTOEB-UHFFFAOYSA-N 298.317 3.570 30 20 CHED C[C@H](CCNC(=O)c1cccc(F)c1C#N)CC(C)(C)C 1556209907 IGTSODVJKQACIO-GFCCVEGCSA-N 290.382 3.890 30 20 CHED C=C(C)c1cccc(Nc2cc(F)ccc2-c2nn[nH]n2)c1 1588441926 JBAHVVCFSVMPHL-UHFFFAOYSA-N 295.321 3.783 30 20 CHED C=C(Br)CN1CC[C@@H](c2ccc(CC)cc2)C1 1654582519 JGBGEFGVHCNDQH-OAHLLOKOSA-N 294.236 3.947 30 20 CHED C[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CC1 1585221022 YCXJNPMZUOUQBO-FZMZJTMJSA-N 290.794 3.910 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cc(C#N)ccn1 1658845971 JPTXISXVEGVNSM-UKRRQHHQSA-N 271.408 3.600 30 20 CHED Cc1cc(N[C@@H](C)COCC2CCCCC2)ncc1C#N 1655872978 XXRONKVOROVUOY-AWEZNQCLSA-N 287.407 3.659 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc2[nH]ccc2c1 229647082 ZHZQALBKYYRMHG-UHFFFAOYSA-N 261.328 3.960 30 20 CHED CCCCCCCN(C)[C@H](C(=O)O)c1cccc(OC)c1 1595704514 RUYKWAKYJJYLJK-INIZCTEOSA-N 293.407 3.723 30 20 CHED COc1ccc(C(=O)O)cc1CSc1ccccc1C#N 1599500035 RYEDKDFYHYIOCY-UHFFFAOYSA-N 299.351 3.557 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc(C#N)ccc1F 1672121229 GXTVKHJJCZQABU-WDEREUQCSA-N 277.343 3.644 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2F)C[C@H]1C 1678270034 OWYNBXPNNICCFE-NQBHXWOUSA-N 289.354 3.644 30 20 CHED CC(C[C@@H]1C=CCC1)=NNc1cccc(C(=O)O)c1 1776038141 UQLVJVXFPXZRAS-GFCCVEGCSA-N 258.321 3.529 30 20 CHED O=C(O)c1cc(NN=Cc2cc(Cl)cs2)ccc1F 1776063083 ZPADPPPFCQUQPU-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C=CCCCCCN1c2ccccc2C[C@H]1CC(=O)O 1776733284 ICWKQZLTBBXJNA-HNNXBMFYSA-N 273.376 3.639 30 20 CHED C=CCN(C)C(=O)c1cc(CC)c(CCC)s1 161346714 FYEWUKUFPVCFEI-UHFFFAOYSA-N 251.395 3.521 30 20 CHED N#Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c(F)c1 158044852 QPFYIAZCABVBQK-UHFFFAOYSA-N 299.345 3.819 30 20 CHED Cc1ccc(C#N)c(NCc2ccc(OC(C)C)cc2)n1 160499018 NFAYQXSPIFUWOM-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C[C@H]1C[C@@H](C)CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 160668620 LQGCWGMCJLDQPC-UXLLHSPISA-N 299.418 3.719 30 20 CHED C=CCNC(=O)Nc1ncccc1O[C@H](C)c1ccccc1 163256401 CNRKEVSPGINGOZ-CYBMUJFWSA-N 297.358 3.529 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1cc(C)ccc1OC 151987418 YCYDJJWAGBQCMB-GFCCVEGCSA-N 279.405 3.640 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H]1CCc2c(Cl)cccc21 155901279 NHPSCEUJTOMCKY-IINYFYTJSA-N 295.835 3.751 30 20 CHED CC[C@H](C#N)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 157984915 QFUYKQNENYVSAO-GXFFZTMASA-N 298.308 3.617 30 20 CHED CC(C)(C#N)CCCCSCC(=O)OC(C)(C)C 232591045 JKQYNOCJQCWRBX-UHFFFAOYSA-N 271.426 3.781 30 20 CHED C=C(CC)COc1ccc(Br)cc1C#N 124448754 GHRGBLKZANTQLR-UHFFFAOYSA-N 266.138 3.666 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)C1CCCCCC1 1268829956 BPMJICUSMKFZDQ-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED CS[C@@H]1CC[C@H](Nc2cccc(Cl)c2C#N)C1 235174966 RICXRMUECAFOGP-VHSXEESVSA-N 266.797 3.908 30 20 CHED CC[C@H](C)Oc1cccc(NCc2ccc(C#N)o2)c1 135561458 GYVYUZQGJQULGO-LBPRGKRZSA-N 270.332 3.941 30 20 CHED CCCCCCCCC(=O)Nc1cc(C)[nH]c1C(=O)O 163421668 VBVAAOBYHKPTNS-UHFFFAOYSA-N 280.368 3.710 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CC[C@@H](C)C[C@@H]1C 165302717 SZFDNIMYJMLTMR-HACGYAERSA-N 256.393 3.781 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(C(C)C)cc1 48151211 GJPPLJITCOVMCW-UHFFFAOYSA-N 272.392 3.822 30 20 CHED CC(C)CC[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 49000000 CYZAOPXMRKUXEP-LLVKDONJSA-N 261.325 3.703 30 20 CHED C[C@@H](C1CC1)N(Cc1ccccc1)CC1(C#N)CC1 343261829 TUYRADFOXCBXSH-AWEZNQCLSA-N 254.377 3.591 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccccn1 348207838 ZAGFFHXBUWWTKR-UHFFFAOYSA-N 252.361 3.660 30 20 CHED N#Cc1ccc(N2CC[C@H](C3CC3)C2)cc1Br 400134543 URHXDMCHHWUSDE-LBPRGKRZSA-N 291.192 3.557 30 20 CHED N#Cc1cccc(COc2cc(Cl)cc(C#N)c2)c1 311581897 CZPGRSUXAFCYLU-UHFFFAOYSA-N 268.703 3.662 30 20 CHED N#CCc1cccc(NC(=O)Cc2ccccc2Cl)c1 313450896 RFEZGKWFAPSSBH-UHFFFAOYSA-N 284.746 3.587 30 20 CHED N#CCC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 334457962 JGTPQCVGMHDRMA-UHFFFAOYSA-N 297.185 3.759 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCCCCC 804831972 JALJHZFEKIEOKB-UHFFFAOYSA-N 257.377 3.619 30 20 CHED CCc1cc(C(=O)Nc2ccc(CC#N)cc2)sc1C 8126514 MDDPZLDHBWLQRA-UHFFFAOYSA-N 284.384 3.937 30 20 CHED C[C@H]1CCc2c(C(=O)Nc3cccc(C#N)c3)csc2C1 15644251 KHKOASOMFPLTPD-NSHDSACASA-N 296.395 3.997 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(C#N)c1 24547809 OFANKNDIZAQJHV-UHFFFAOYSA-N 289.338 3.529 30 20 CHED N#Cc1ccccc1NCc1csc(-c2ccccn2)n1 35054624 AFBNQQWSIQDQCD-UHFFFAOYSA-N 292.367 3.689 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cn1 35678180 QSRZOWBOTRXTFR-DJWKRKHSSA-N 281.142 3.623 30 20 CHED N#Cc1ccc(OCc2ccccc2Cl)c(F)c1 36886784 WKQRTXDUHTXGCI-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#Cc1ccc(NCc2ccco2)c(C(F)(F)F)c1 36973617 HSPRMAPPOKILJQ-UHFFFAOYSA-N 266.222 3.782 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(Cl)ccc1Cl 54178293 GMLXFUFEANMFRT-SECBINFHSA-N 286.162 3.807 30 20 CHED N#Cc1ccccc1CSCc1ccccc1C(=O)O 58238775 AAQOZURBVHOYSQ-UHFFFAOYSA-N 283.352 3.690 30 20 CHED C=C(C)COC(=O)C1(c2ccc(OC)cc2)CCCC1 60490871 ZDNGUFFWETZPPR-UHFFFAOYSA-N 274.360 3.626 30 20 CHED CC(C)(C)c1ccc(CCC(=O)N2CCC(C#N)CC2)cc1 62076496 OGIUNTQSTJGDMF-UHFFFAOYSA-N 298.430 3.679 30 20 CHED Cc1ncsc1CNc1ccc(C#N)cc1C(F)(F)F 77964580 BORUHMSTLAUYHW-UHFFFAOYSA-N 297.305 3.954 30 20 CHED N#Cc1ccccc1CNc1ccc(Cl)c([N+](=O)[O-])c1 78227386 AQEKMKMGVNWAEM-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CCCCc1noc([C@@H](C)Nc2ccc(CC#N)cc2)n1 78900662 RNBZQXLGLLUTIE-GFCCVEGCSA-N 284.363 3.651 30 20 CHED N#CCSc1cccc(C(=O)Nc2ccccc2)c1 79380167 UICGOEGWVWKKLS-UHFFFAOYSA-N 268.341 3.555 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCC[C@@H]1CC 79541634 XZZYJNPNYLALCG-UONOGXRCSA-N 252.402 3.563 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)Sc2ccc(C#N)cc2)c1 79647949 UUTSCSQOHLSGBT-CYBMUJFWSA-N 296.395 3.986 30 20 CHED N#CCC1(COc2ccc(C(F)(F)F)cc2)CC1 88272126 CZWVBRYMQTVIEQ-UHFFFAOYSA-N 255.239 3.778 30 20 CHED Cn1nccc1CSCc1ccccc1C(C)(C)C#N 91038636 OAYQPLOPGPXOMB-UHFFFAOYSA-N 285.416 3.655 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1cccc(F)c1)c1ccccc1 97166615 SLGZRIUZCOTKMP-CQSZACIVSA-N 299.345 3.812 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)CCOc2ccccc21 102971118 SCMGVPSCCQOTCH-NTCAYCPXSA-N 292.334 3.670 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 103031827 WIIXQYRHNRQVQG-ROUUACIJSA-N 293.341 3.574 30 20 CHED C=CCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 114472862 LUIRCNBGLPFQMM-OAHLLOKOSA-N 283.419 3.983 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCC1CC1 115039723 GUKAISLCSCFORG-UHFFFAOYSA-N 261.340 3.531 30 20 CHED C#CCCCCC(=O)Nc1ccc(O[C@@H](C)CC)cc1 119704588 CHJBGKAFQUMOFJ-AWEZNQCLSA-N 273.376 3.996 30 20 CHED C=CC1CCN(C(=O)c2cnn(C(CC)CC)c2C)CC1 120278007 INLIGYLOLLJHOW-UHFFFAOYSA-N 289.423 3.591 30 20 CHED C=CC[C@@H](C)NCc1cccc(F)c1Br 122263982 RLESQRHSZUVWTC-SECBINFHSA-N 272.161 3.642 30 20 CHED CC(C)(CCC#N)CN1CC=C(c2ccc(O)cc2)CC1 122271213 VNUMJYBVOJCIQF-UHFFFAOYSA-N 284.403 3.811 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)C(C)C 123135864 JABZQWDRTPMJHM-GOEBONIOSA-N 259.393 3.582 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc(C#N)c1 123516623 ZYBAQXDLYBDBPD-DOMZBBRYSA-N 271.364 3.601 30 20 CHED C[C@H](CCC(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 123958375 FJZUZEIALHQUNE-HIFRSBDPSA-N 272.392 3.625 30 20 CHED Cc1ncc(CSCc2cc(F)ccc2C#N)s1 125572587 GURHURRXNFYKFP-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C#CC[C@H](OC(=O)c1cncc(-c2ccccc2)c1)C1CC1 126190223 RLKVHSUGLUMZAL-SFHVURJKSA-N 291.350 3.707 30 20 CHED C#CCN(Cc1cccnc1C)[C@@H]1CCc2ccccc21 127535546 TXLHAKIVGMXEOX-LJQANCHMSA-N 276.383 3.513 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 127581917 HKZQGDSYYDDUQV-SFHVURJKSA-N 295.386 3.516 30 20 CHED CCCCCCCCC(=O)N1CCOC2(CCC2)C1 128163779 UDKPJDILPADZPI-UHFFFAOYSA-N 267.413 3.519 30 20 CHED COc1ccc(C#N)cc1CN(C)c1ccccc1C 130451265 PUPGHEJNHJHLNX-UHFFFAOYSA-N 266.344 3.512 30 20 CHED C=C[C@@H](CC(=O)N1Cc2ccccc2C1)c1ccccc1 130852169 KBRRWTPNZJDEGM-HNNXBMFYSA-N 277.367 3.889 30 20 CHED CC(=C/c1ccccc1)/C=C1/CCc2c(cnn2C)C1=O 131140614 TZKLKZVRTWGQGH-BDXDCFHCSA-N 278.355 3.579 30 20 CHED CC(=O)c1ccc(NCCOc2ccc(C#N)cc2)cc1C 135071497 HDIPJDUROMQDFJ-UHFFFAOYSA-N 294.354 3.560 30 20 CHED CC(C)(C#N)CCCO/N=C(/N)Cc1ccc(Cl)cc1 135500094 AEPCWKYITDEXRA-UHFFFAOYSA-N 293.798 3.501 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)CCSCC)c1ccccc1 136850534 XAPVQYFXUGEHBN-GJZGRUSLSA-N 291.460 3.994 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H](C)Cc1cccs1 150878538 AIJAEDVTJUNHJN-ZDUSSCGKSA-N 277.433 3.811 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc(Cl)c(F)c1 152451639 IRGXSRNFVNRILF-UHFFFAOYSA-N 296.773 3.881 30 20 CHED COc1ccccc1SCc1ccc(F)c(C#N)c1 158555610 WBJJDSQYLNOJTR-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C#Cc1cccc(NC[C@@H]2CCOc3ccccc32)c1 161840247 SWKKOSVKUUZSGV-HNNXBMFYSA-N 263.340 3.646 30 20 CHED C=CCCC(=O)Nc1cc(-c2ccc(Cl)s2)[nH]n1 162899313 VWHVOFOBHMFDJX-UHFFFAOYSA-N 281.768 3.696 30 20 CHED N#Cc1ccc(COc2ccccc2C=O)c(Cl)c1 163131162 WHBJGILGTXWZTA-UHFFFAOYSA-N 271.703 3.603 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(OC(C)C)cc1 163365488 ZALIIISLMCQDST-LBPRGKRZSA-N 253.773 3.877 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C)c2c(C)noc2C)cc1 168189535 NEYNGWAGSLDLBH-QWHCGFSZSA-N 298.386 3.715 30 20 CHED C=C(C)CCNc1cc(Br)cc(OC)c1 169015388 LOTYCOQPYOHWGS-UHFFFAOYSA-N 270.170 3.836 30 20 CHED CC1(C)OB(Cc2ccccc2Br)OC1(C)C 169982375 SJTVNJJAXZVOCQ-UHFFFAOYSA-N 297.001 3.623 30 20 CHED Cc1cc(C)cc(N/C(N)=N/[C@@H]2C[C@H]2c2cccc(F)c2)c1 170911126 YNOBMUOPJFWZJQ-DLBZAZTESA-N 297.377 3.725 30 20 CHED C=CCCC(=O)Nc1cc(F)ccc1OCC(F)(F)F 171427467 FWNOLZZSNYFHKP-UHFFFAOYSA-N 291.244 3.672 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccccc1F 171815392 GFUMTVBWSWZDSZ-GFCCVEGCSA-N 282.318 3.748 30 20 CHED CCCCCCCCCC(=O)NCc1c(C)nn(C)c1C 174077952 UZMQPZOWDWSUHP-UHFFFAOYSA-N 293.455 3.794 30 20 CHED C=CCCCC(=O)NCCCO[C@H](C)c1ccccc1 175210086 HRQBEHJFKJGQRE-OAHLLOKOSA-N 275.392 3.627 30 20 CHED C=CCCCC(=O)N[C@@H]1CCC[C@H](SCC)C1 176758718 IBLRXBLRAAERFW-OLZOCXBDSA-N 255.427 3.523 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1cc(F)ccc1F 177872004 SVMSXACXJZGWCZ-VIFPVBQESA-N 271.332 3.601 30 20 CHED Cc1cc(=O)oc2cc(NCCCC(C)(C)C#N)ccc12 178367585 ZBDXEKSDISPOIF-UHFFFAOYSA-N 284.359 3.843 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1C#N 179411926 STCGSOLOXKRPBT-GORDUTHDSA-N 298.729 3.511 30 20 CHED Cc1oc2ccccc2c1CNc1ccc(C#N)nc1 184130638 WKIDKARYUMKHPW-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CC#CCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 185623947 WBFQXDBYLJMWSU-IRXDYDNUSA-N 283.415 3.893 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F 185764570 GDCCPFGAONQANF-GMXVVIOVSA-N 264.319 3.698 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1F 185869691 UVRWYOKYAXENCF-SDDRHHMPSA-N 264.319 3.698 30 20 CHED C=C(C)[C@H](NC(=O)c1coc(C)c1)c1ccc(F)c(F)c1 189179643 STSVVNIYFNYRJN-HNNXBMFYSA-N 291.297 3.913 30 20 CHED Cc1ccc2sc(/C=C/c3cc(C#N)n(C)c3)nc2c1 191245276 CRGAUVGNLXESFN-GQCTYLIASA-N 279.368 3.985 30 20 CHED C[C@@H]1CC[C@@H](C)N1Cc1cc(C#N)ccc1Br 191807616 GKTPDGVTBWGZFQ-GHMZBOCLSA-N 293.208 3.694 30 20 CHED C#CCCCC(=O)N1CCC[C@H](c2ccccc2)CC1 192038262 ZPCWRJMJCNMGIH-KRWDZBQOSA-N 269.388 3.586 30 20 CHED COc1c(C)ccc(NCc2ccc(C#N)cc2F)c1C 192589200 VVMBKOHHMDLPCF-UHFFFAOYSA-N 284.334 3.935 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(SC)cc1OC 192682269 IIJBEUCAFOBGLW-SNVBAGLBSA-N 280.393 3.503 30 20 CHED C=C(C)COC(=O)CCc1ncc(-c2ccc(C)cc2)o1 193019123 RFKQGWZIQFXCRW-UHFFFAOYSA-N 285.343 3.702 30 20 CHED CC(C)Cc1ccc(/C=C/C(=O)c2ccnn2C)cc1 193057966 ACWWTSGAEAEUOW-CMDGGOBGSA-N 268.360 3.515 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2C)o1 195331931 WQUXTXNNWCRTKO-VMPITWQZSA-N 284.311 3.579 30 20 CHED C=CCCCCCNc1ccccc1N1CCC(O)CC1 195448033 PZFHMWHIWWDZHJ-UHFFFAOYSA-N 288.435 3.806 30 20 CHED C=CCOCCOc1ccc(-c2ccc(C#N)cc2)cc1 204280089 DZLIQAQYNULKOJ-UHFFFAOYSA-N 279.339 3.807 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(Br)cs1 226397156 NVZAZFLRHVQOGA-YUMQZZPRSA-N 260.200 3.736 30 20 CHED CCSc1ccc(-c2noc(-c3cc(C#N)c[nH]3)n2)cc1 233837045 GIRRBPDWWBWEFF-UHFFFAOYSA-N 296.355 3.715 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(C#N)cc1 246183173 RTTNYILUPRNQMC-XOKHGSTOSA-N 254.377 3.711 30 20 CHED CCN(C[C@H]1CCC(C)(C)O1)[C@H](C)c1ccc(C#N)cc1 248591374 YUOWKNAGNAXTHI-RHSMWYFYSA-N 286.419 3.899 30 20 CHED Cc1c(C(=O)/C=C\c2ccccc2)cccc1[N+](=O)[O-] 255420919 MAULCGXCTHJQCF-KHPPLWFESA-N 267.284 3.799 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1c(C)noc1C 255571443 UONNFAHRCJCNQW-SREVYHEPSA-N 271.316 3.505 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CCOC2)cc1 268885597 YXJWOTXUFMYWDG-UONOGXRCSA-N 295.810 3.505 30 20 CHED C=C(C)[C@H](CC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)OCC 270047997 BONZNYYQRGUDHH-QILLFSRXSA-N 287.403 3.577 30 20 CHED COCC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C)o1 272551488 CZEMUNSONKSPGP-PBHICJAKSA-N 298.386 3.888 30 20 CHED C=CCN(CCc1ccco1)CC(C)(C)CCC#N 272617999 LNRMHTWQWLMCRO-UHFFFAOYSA-N 260.381 3.640 30 20 CHED N#CCCCN[C@@H]1CC=C(c2ccc(F)cc2)CC1 273182248 FINFBELPJRZMJG-MRXNPFEDSA-N 258.340 3.655 30 20 CHED Cc1noc(C)c1-c1ccc(OC[C@H](C#N)CCC#N)cc1 277616595 BCGXUBDFHWQTIE-AWEZNQCLSA-N 295.342 3.781 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)CC(C)(C)C#N)cc1 278406160 VCADHEMFMYEGTI-INIZCTEOSA-N 284.403 3.989 30 20 CHED C=CCCCCCN[C@H](C)c1ccc([S@](C)=O)cc1 278820949 ILFAECZMBBARCA-KUHUBIRLSA-N 279.449 3.821 30 20 CHED N#CCc1cccc(-c2nc([C@H]3CCC(F)(F)C3)no2)c1 281492705 TXJKHJURVFHIRW-LBPRGKRZSA-N 289.285 3.705 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 282352817 PKQMAUXZQOSQBI-MJVIPROJSA-N 293.208 3.792 30 20 CHED CSCC(C)(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 282689631 WYGUZJQHBFDLOT-UHFFFAOYSA-N 290.432 3.815 30 20 CHED CN(C(=O)Nc1cccc(C#N)c1)C1CCC(F)(F)CC1 286952442 MUJIRDBPRBLPQN-UHFFFAOYSA-N 293.317 3.600 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1noc(C)n1)c1ccc(F)c(F)c1 289311993 CURCFMXCESULJI-LKFCYVNXSA-N 293.317 3.624 30 20 CHED CCc1ccc([C@H]2CCCN(C(=O)CCCC#N)C2)cc1 293515330 ZVQWIHNGBJIEEC-KRWDZBQOSA-N 284.403 3.649 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 294214291 OLYKBHSPTBRUPJ-PBHICJAKSA-N 273.376 3.731 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C3CC3)nc2C)c1 294553354 KJVQMIQCQXFUME-UHFFFAOYSA-N 290.366 3.525 30 20 CHED N#Cc1cc(NCC2CC(F)(F)C2)ccc1Cl 295833757 FDMYKXKFZRRBMC-UHFFFAOYSA-N 256.683 3.669 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(c2cccc(C#N)n2)C2CC2)o1 301498864 CQEAQDXOHRXMKB-MLGOLLRUSA-N 293.370 3.839 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1C[C@H]2CCC[C@@H]2C1 301607134 NOYGDZUXGKVHCA-VXGBXAGGSA-N 297.789 3.996 30 20 CHED N#Cc1cc(F)ccc1N1CCC[C@H](Nc2ccccc2)C1 301644065 CJCOAMBPUUOHEX-KRWDZBQOSA-N 295.361 3.778 30 20 CHED CC(=O)c1ccc(C#N)c(NCC2(C3CC3)CCC2)c1 302134961 LYWABLAJWCNZFH-UHFFFAOYSA-N 268.360 3.753 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]1c1cccc(F)c1 302827673 BMBQVRBHIGWGJQ-JKSUJKDBSA-N 277.302 3.537 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 303049130 ITXRPTCIJROUSL-BZSNNMDCSA-N 283.415 3.680 30 20 CHED CC(C)c1cccc(N/C(N)=N/Cc2cccc(F)c2)c1 303787801 SVNFJPJMRTYTQO-UHFFFAOYSA-N 285.366 3.876 30 20 CHED CCN(CCCC(C)(C)C#N)C[C@@H](O)c1ccc(C)cc1 304522862 KPUVLIQXNIEJEG-QGZVFWFLSA-N 288.435 3.680 30 20 CHED N#Cc1cc(F)c(C(=O)NCCC2CCCCC2)c(F)c1 314709498 MOHYSRFPMVZBBS-UHFFFAOYSA-N 292.329 3.537 30 20 CHED Cc1cc(C)c(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)c(C)n1 328922007 UEZAISKCRVCAPY-RNCFNFMXSA-N 274.364 3.600 30 20 CHED Cc1ccc(F)c(/C(O)=N/[C@](C)(C#N)CC(C)C)c1 330461234 LOENIPYXMDPYGA-HNNXBMFYSA-N 262.328 3.767 30 20 CHED CSc1ccccc1/C(O)=N/C1CCC(C(=N)O)CC1 330669010 UXDHBOQKNZPWPH-UHFFFAOYSA-N 292.404 3.807 30 20 CHED Cc1sc(NC(=O)c2cc(C(C)C)no2)c(C#N)c1C 334304357 CJUXPAHGAILAFF-UHFFFAOYSA-N 289.360 3.600 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(C#N)s1 335186139 WVCDZDZRBDCXOS-JTQLQIEISA-N 288.347 3.592 30 20 CHED C=CCC1(C(=O)N2Cc3cccc(F)c3C2)CCCC1 335380172 BWDYVPPMNBXZKV-UHFFFAOYSA-N 273.351 3.804 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2cccc(C#N)c2)C1 336146692 PILBDDHZGHACTI-KBXCAEBGSA-N 277.371 3.536 30 20 CHED Cc1nc(-c2cccc(NC(=O)[C@]3(C#N)C[C@@H]3C)c2)cs1 336234198 ICXVDZNJCBEGEZ-QFYYESIMSA-N 297.383 3.607 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 336384936 ZFZFVFWXURIBNY-KDOFPFPSSA-N 294.398 3.610 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)Cc1ccccc1C 337845413 HBONZQOCWJKFHK-UHFFFAOYSA-N 284.407 3.532 30 20 CHED CCOc1cccc(CNc2ncc(C#N)cc2Cl)c1 339139716 IIKWTKQRRDJGPQ-UHFFFAOYSA-N 287.750 3.617 30 20 CHED C=C(CN[C@H](C)c1ccncc1F)c1ccccc1 340206456 NMBVYONDEBRXTG-CYBMUJFWSA-N 256.324 3.585 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl 341505145 AAOHTRABRDZEHR-JMSVASOKSA-N 288.778 3.623 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Oc2cnc3ccccc3c2)c1 341531724 MRJGHBRKWDGOSK-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)[C@H](C)c1ccc(F)cc1 341853902 PEVMXYVADIJWPR-KGLIPLIRSA-N 293.382 3.716 30 20 CHED CC(=O)c1cccc(OCc2ccc(CC#N)cc2)c1 342482567 QOZRIIPPPVKIDK-UHFFFAOYSA-N 265.312 3.534 30 20 CHED N#Cc1ccnc(NCC2(Cc3ccccc3)CCC2)c1 342548502 VBULTNBPVDJYRG-UHFFFAOYSA-N 277.371 3.778 30 20 CHED Cc1ccc(CNc2cc(C#N)ccn2)c(OCC2CC2)c1 342567655 MNKWPSYTVNZDRK-UHFFFAOYSA-N 293.370 3.663 30 20 CHED CCC(CC)[C@@H](CCNc1snc(C)c1C#N)OC 342781165 MTLRURXBACAWLD-CYBMUJFWSA-N 281.425 3.576 30 20 CHED CC(C)(C)C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1ccccc1 343135607 JRXVIAABCQOTFO-MRXNPFEDSA-N 295.386 3.794 30 20 CHED CCC(CC)[C@H](NC(=O)NCCCC#N)c1ccccc1 345479142 MKPJTEMJUSYCJZ-INIZCTEOSA-N 287.407 3.767 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1F 345637324 XENCRSLDXAKSKX-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CCC#N 346271124 NWYRXZXEJWXNKT-JTQLQIEISA-N 256.271 3.612 30 20 CHED C=CCC[C@H](NC(=O)c1cc(C)sn1)c1ccccc1 346400934 YJSDYYPFMYBZSG-AWEZNQCLSA-N 286.400 3.889 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1cccc(-c2ccccc2)c1 353002174 UNGITSAMENIDAC-ZDUSSCGKSA-N 279.343 3.777 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@H](C)C(C)(C)C 355650668 JQJVJTVRHPEMLT-NSHDSACASA-N 273.380 3.611 30 20 CHED C=CCCNc1ccccc1C(=O)N(CCC)C(C)C 357192304 QWBCPEGGPORLEB-UHFFFAOYSA-N 274.408 3.935 30 20 CHED N#Cc1ccncc1N[C@H]1CCc2sc(Cl)cc21 357610435 XJXCEJNWVGCRTI-JTQLQIEISA-N 275.764 3.768 30 20 CHED Cc1occc1SCc1nnc(-c2cccc(C#N)c2)o1 358797229 HPYLVXSMLREDSV-UHFFFAOYSA-N 297.339 3.802 30 20 CHED C=CCCCC(=O)Nc1ccc(OCc2ccncc2)cc1 359202209 URDVTYRFTDTFEZ-UHFFFAOYSA-N 296.370 3.955 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC 359397294 XXVSLIKBHFRNEE-DOTOQJQBSA-N 284.403 3.745 30 20 CHED C[C@@H](C[S@](=O)Cc1cccc(C#N)c1)c1ccccc1 359438732 NFTZWGNVISZOHK-XOBRGWDASA-N 283.396 3.611 30 20 CHED N#CCCCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 360303059 MNQDZZSOEQZMTM-GOSISDBHSA-N 296.345 3.725 30 20 CHED CCCCOCCN[C@@H]1CCCCc2cc(C#N)ccc21 360837862 RYRVDNPPCLLRAV-GOSISDBHSA-N 286.419 3.732 30 20 CHED COc1ccc(C#N)cc1NCCCc1ccsc1 360909475 HSENVIRRBKSEPB-UHFFFAOYSA-N 272.373 3.673 30 20 CHED C=CCN(C(=O)C[C@H]1C[C@@H]1C)c1nc2c(s1)CCCC2 361348034 GOYBGMJHOKRWME-NWDGAFQWSA-N 290.432 3.587 30 20 CHED N#CCCCC(=O)Nc1ccccc1C(=O)c1ccccc1 361463305 DTTHGXDMMSPFPU-UHFFFAOYSA-N 292.338 3.550 30 20 CHED N#Cc1ccc(NCc2c(F)cc(F)c(F)c2F)c(F)c1 362367159 ZJDYOTFLXMYLKF-UHFFFAOYSA-N 298.214 3.866 30 20 CHED CC(C)CNc1ccccc1Oc1ncccc1C#N 362829215 FXARTNUWKGZHIJ-UHFFFAOYSA-N 267.332 3.813 30 20 CHED N#Cc1ccccc1NC(=O)C(C1CCC1)C1CCC1 380297020 FNSBNQSKDHGGRD-UHFFFAOYSA-N 268.360 3.713 30 20 CHED C[C@@H](C#N)OCCNc1cccc(Oc2ccccc2)c1 385771847 KQPJJYSHLAQMLM-AWEZNQCLSA-N 282.343 3.819 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)CSc1ccccc1 410828238 NEPSGSWFHQKCOA-KBPBESRZSA-N 290.432 3.565 30 20 CHED Cc1cc(C)cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 411170534 XPIMEBJDNXYKCL-ZWKOTPCHSA-N 290.366 3.917 30 20 CHED CC[C@H](CC#N)NC(=O)c1csc(C2CCCCC2)n1 412248245 LYGGBGIDMINOED-GFCCVEGCSA-N 291.420 3.613 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1[C@@H](C)CC[C@H]1C 413833544 KPVHSFUYEAVLHP-UXLLHSPISA-N 286.419 3.756 30 20 CHED C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)CC(F)(F)F 414264730 KZYRSKXTDPFDAI-HZMBPMFUSA-N 282.309 3.724 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](NCc2cc(C#N)cs2)C1(C)C 414567936 HBCGEYJJQYCEDH-UONOGXRCSA-N 292.448 3.692 30 20 CHED N#CCCCSCc1ccn(CCc2ccccc2)n1 419599962 VDIHNPPLXABVFS-UHFFFAOYSA-N 285.416 3.663 30 20 CHED CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2nc(O)oc2c1 424324544 KDIKXVFREBYTJI-NORZTCDRSA-N 299.374 3.512 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccc(F)cc2F)no1 424332705 CPAHFYKBPGPVML-UHFFFAOYSA-N 278.302 3.792 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N(CC#N)C1CCCC1 424674625 DLBNSCGCVVQWDV-MRXNPFEDSA-N 298.430 3.859 30 20 CHED CCc1noc(C)c1CSCc1cccc(F)c1C#N 427822575 RNYLHJYEXGMZCT-UHFFFAOYSA-N 290.363 3.990 30 20 CHED CCC(CC)(CC)NC(=O)[C@H](C#N)CCc1ccccc1 433374863 GJNIEGNGIFBCCM-INIZCTEOSA-N 286.419 3.844 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 435367475 WRVDPGRLZNOCTR-JKIFEVAISA-N 296.414 3.531 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@@H](c1ccccc1)C(C)C 435742256 MRIWRDAUBBYIRA-OTWHNJEPSA-N 287.447 3.997 30 20 CHED C=CCC[C@@H](N[C@H]1CCCN(c2ccccc2)C1)C1CC1 439006235 SZMMGVYJOFYHDE-PKOBYXMFSA-N 284.447 3.990 30 20 CHED N#C[C@H]1CC[C@H](NCCc2cccc(Cl)c2Cl)C1 442781445 IWEWEACWNWIWHK-JQWIXIFHSA-N 283.202 3.818 30 20 CHED Cc1nc(C#N)c(C#N)n1CC1CCC(C(C)(C)C)CC1 442907905 ZCVYMANZPUVULH-UHFFFAOYSA-N 284.407 3.787 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H]1CCCC[C@H]1C 444681169 YOFZSXWIVZRSQS-CJNGLKHVSA-N 272.392 3.577 30 20 CHED C=CCOc1ccc(CC(=O)N(CCCC)C2CC2)cc1 448663571 FWRDSJFZIGXDPS-UHFFFAOYSA-N 287.403 3.585 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cccc2c(OC)cccc12 449545964 AMRYUPPPHVHZQW-MSOLQXFVSA-N 297.398 3.672 30 20 CHED N#Cc1ccnc(SCc2ccccc2C2CC2)n1 450471500 CQJJYFIUDOKNIF-UHFFFAOYSA-N 267.357 3.518 30 20 CHED C=C(C)CCNC(=O)c1ccc(OC(C)(C)C)cc1 452714978 AUNYACLYMIPAKY-UHFFFAOYSA-N 261.365 3.560 30 20 CHED C=C(C)CCNC(=O)C(C)(C)c1ccccc1Cl 452720468 XBEAJEHCTIHUGO-UHFFFAOYSA-N 265.784 3.700 30 20 CHED C=CCC1(CNC(=O)N[C@@H](C)c2ccccn2)CCCC1 454215126 BRGPPPIJCQHIII-AWEZNQCLSA-N 287.407 3.578 30 20 CHED CC#CCN(C)C(=O)Nc1cc(Cl)ccc1OCCC 454509502 ZYJCZCHYJSMPAC-UHFFFAOYSA-N 294.782 3.616 30 20 CHED CC1(CCNC(=O)Nc2ccc(CC#N)cc2Cl)CC1 455728232 HCPYDVLKNTUJHN-UHFFFAOYSA-N 291.782 3.718 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1scnc1C(C)C 455859390 FYMYOTKTTMORKA-SNVBAGLBSA-N 267.398 3.743 30 20 CHED C=C(CC)CNC(=O)C1(c2ccc(OC)cc2)CCCC1 456826152 IHMGSGDBJPWCNV-UHFFFAOYSA-N 287.403 3.589 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C#N)s2)C1 456995321 HLIJPHSGODXCDW-SRVKXCTJSA-N 276.405 3.564 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)NCC(C)(C)CC#N 458674192 WJCGTZXATJITAV-AWEZNQCLSA-N 287.407 3.604 30 20 CHED C=C(CC)CNC(=O)N(CC)[C@H](C)c1ccc(F)cc1 459084522 UJZFHMWQPZFPCC-CYBMUJFWSA-N 278.371 3.884 30 20 CHED Cc1nc(N2CC[C@H](C)C3(CCC3)C2)c(Cl)cc1C#N 461940555 KPVACPLTMOCMLU-NSHDSACASA-N 289.810 3.932 30 20 CHED C=C(C)[C@H](CC(=O)NCCC1=CCCCCC1)OCC 464231911 RIZNJSNKRJGTQR-INIZCTEOSA-N 279.424 3.755 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 464756332 MATFYENKKDSQDA-CHWSQXEVSA-N 272.392 3.500 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@]1(C)CC 466321620 YXFDNZMGUUOUSS-AEFFLSMTSA-N 271.404 3.680 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OC(F)F)cc1 466385976 MHXCBAJZSUYABI-JTQLQIEISA-N 284.306 3.764 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(CC)CCOCC1 466609117 GUKQWMGQTWNJGC-UHFFFAOYSA-N 296.455 3.581 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1C[C@](C)(OC)C1(C)C 466673161 RALSVYCWFSYZEL-YOEHRIQHSA-N 296.455 3.578 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C 471223553 RVEBKRNUBKOCMB-CYBMUJFWSA-N 284.403 3.705 30 20 CHED CC(C)(C)OCCCCOc1ccc(C#N)c(F)c1 473680536 WBPLZOBZNFTQME-UHFFFAOYSA-N 265.328 3.671 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(CCC#N)CC(C)(C)C 475647716 MFSUEZBSZWQYOI-CABCVRRESA-N 278.440 3.991 30 20 CHED C=CCCC1(C(=O)NCC(C)(C)Oc2ccccc2)CC1 476066288 XTLQEJYSERLKOP-UHFFFAOYSA-N 287.403 3.707 30 20 CHED C=CCOc1ccccc1C(=O)N(CC)Cc1ccccc1 479271936 AXHNHVBJRKXHOH-UHFFFAOYSA-N 295.382 3.914 30 20 CHED N#Cc1ccc(Oc2ccc(OC[C@@H]3CCOC3)cc2)cc1 480333829 XFBILMUWQBMDGR-OAHLLOKOSA-N 295.338 3.766 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2cccc(F)c2C#N)CCO1 487058251 DNTGMJYWECEUEC-ABAIWWIYSA-N 276.355 3.703 30 20 CHED Cc1nnc(SCc2ccc(CC#N)cc2)n1C(C)C 488747332 FDRIYUUCBVUEBZ-UHFFFAOYSA-N 286.404 3.526 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCOc2ccc(F)cc2C1 489210946 CKFIJWZQRJDGBQ-CYBMUJFWSA-N 296.345 3.653 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(C#N)s1 489364807 RHWFRKMRXRNPHG-WCQYABFASA-N 276.405 3.661 30 20 CHED C=CCC(C)(C)CNC(=O)CCOc1ccc(Cl)cc1 490084752 IZZPSNYLHKQPPW-UHFFFAOYSA-N 295.810 3.827 30 20 CHED CC[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)C(C)(C)C 493931607 IMXQXWVGJGBYEN-HNNXBMFYSA-N 299.418 3.671 30 20 CHED CC#CCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 499000302 JUGMZLHGNXDZLJ-RYUDHWBXSA-N 296.197 3.627 30 20 CHED CC#CCCNC(=O)c1ccccc1Sc1ccccc1 499047579 AJSHPWQTATUFGF-UHFFFAOYSA-N 295.407 3.981 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1cccc(F)c1 503572614 GUJQPDZLPRXIMZ-CYBMUJFWSA-N 268.335 3.591 30 20 CHED CC(C)(C)Oc1cccc(COc2ccccc2C#N)n1 506867000 STSVNRJFXXBVET-UHFFFAOYSA-N 282.343 3.710 30 20 CHED C=CCC[C@H](O)CN1CC=C(c2ccccc2Cl)CC1 509428966 GMUQAOUDAAYIPH-HNNXBMFYSA-N 291.822 3.756 30 20 CHED C=CCCC[C@H](C)NCc1ccc(-c2cnn(C)c2)s1 509476804 PRCRDHBYWOJMED-ZDUSSCGKSA-N 289.448 3.983 30 20 CHED C[C@@H]1CCCC[C@H]1CCNCc1ccc(C#N)cc1 512230595 UMGVHPJBQMVQLE-PBHICJAKSA-N 256.393 3.864 30 20 CHED C[C@H](NC(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 513316095 BERGSRAIERNIDA-NSHDSACASA-N 290.794 3.910 30 20 CHED CC(C)OC1CCN(c2cccc(Cl)c2C#N)CC1 516713698 BPCIHMQFWPKVRC-UHFFFAOYSA-N 278.783 3.605 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 523961799 DUFSYNFKSHFDEA-GDLCADMTSA-N 297.320 3.890 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(F)ccc(OCC)c1F 534781745 ZIKCZLZYCPKLFO-UHFFFAOYSA-N 298.333 3.793 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1ccncc1CC 537181387 VZAODCYRGRRLOH-ZIAGYGMSSA-N 289.423 3.749 30 20 CHED CC[C@H]1CCC[C@@H]1NCCSCc1ccccc1C#N 539076367 RTQAHTVBJUYPIR-YOEHRIQHSA-N 288.460 3.960 30 20 CHED CC[C@H](C)NC1CCC(Oc2ccccc2C#N)CC1 539081953 BLKKSAXTIKZXIA-JEYLPNPQSA-N 272.392 3.636 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)CCc1ccco1 539391549 KULBJOBBUSXTGR-KGLIPLIRSA-N 278.396 3.645 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCC(CC#N)CC1 541914610 CUYYUHLQCKUPSG-ZBFHGGJFSA-N 291.439 3.538 30 20 CHED Cc1cccc([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)c1 544187260 NGKOVYYJCMYOPM-KRWDZBQOSA-N 294.373 3.995 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(OC)c(C)c(OC)c1 554199827 TYQOWUBZEUGVIP-UHFFFAOYSA-N 277.364 3.553 30 20 CHED CC#CCN(C)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 554688297 HBSOREVPOYFICP-KGLIPLIRSA-N 296.197 3.579 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)NCC#Cc1cccc(F)c1 558714314 XQBZRQWCKFDIHZ-ZBFHGGJFSA-N 287.378 3.510 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(CC(C)(C)C#N)n1 560049759 ZMBJLYLQUAFJMD-NEPJUHHUSA-N 261.369 3.846 30 20 CHED N#Cc1csc(CN2CCC[C@H](c3ccccc3)C2)c1 560541809 IKIMJMICXRBUPX-INIZCTEOSA-N 282.412 3.999 30 20 CHED CC#CCCN1CCn2c(cc3c(Cl)cccc32)C1 562942539 PTBJLXKZHPXIID-UHFFFAOYSA-N 272.779 3.524 30 20 CHED Cc1csc(-c2ccc(Nc3cc(C#N)ncn3)cc2)n1 563931519 ZPMYNQIDZZYWDW-UHFFFAOYSA-N 293.355 3.524 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccccc2-n2cccn2)no1 564238509 GXRQLOOVEZBMBI-KRWDZBQOSA-N 294.358 3.776 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 565818428 XHDSBMSNYHFQBV-HZMBPMFUSA-N 298.308 3.774 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)NCC(C)(C)CC#N 566547112 QNIWJZBMEBYSAB-ZIAGYGMSSA-N 279.428 3.584 30 20 CHED C[C@@](C#N)(NC(=O)c1cc(F)ccc1F)C1CCCCC1 569841927 ZFEWNXGPKVDYHE-INIZCTEOSA-N 292.329 3.557 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1 573789799 WVIPVVQDAOTXMR-XEZPLFJOSA-N 282.387 3.862 30 20 CHED CCc1ccc([C@H]2CCCN(c3cccnc3C#N)C2)cc1 574949452 BVLRDUQIYNPHIQ-KRWDZBQOSA-N 291.398 3.900 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CCC2CCCC2)cc1 577837033 UQHMXPJGSBDIFN-QGZVFWFLSA-N 284.403 3.900 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1Cc1ccc(C#N)cn1 578024370 VXYBXWFHBUHVLG-SFHVURJKSA-N 291.398 3.721 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1CC#N 580479180 OFRWBFCNLLEQKD-ZFWWWQNUSA-N 270.376 3.908 30 20 CHED N#Cc1cccc(N2CCC3(CCCCC3)C2)c1[N+](=O)[O-] 580873961 DREUIRVLJUDFQO-UHFFFAOYSA-N 285.347 3.627 30 20 CHED N#CCCCCCC(=O)N1CC[C@@H](Cc2ccccc2)C1 588159209 BRJZNITZSNLADM-KRWDZBQOSA-N 284.403 3.552 30 20 CHED CCC1(CNC(=O)CCCCCC#N)CCCCC1 588164164 YIIHZTBSKNLMRC-UHFFFAOYSA-N 264.413 3.937 30 20 CHED N#CCCCCCC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 588164684 BHIPDUUYXYFEPH-ROUUACIJSA-N 298.430 3.988 30 20 CHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1sccc1O 588495730 BTWDTJSJIRBHLD-RQOWECAXSA-N 280.732 3.709 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(COC)cc2)c1 588595817 VYGXOIMLDMZBPP-UHFFFAOYSA-N 285.343 3.688 30 20 CHED CC(C)(CC#N)CNCc1cc2cc(Cl)cnc2o1 590970445 DSNPOODDZYNTLR-UHFFFAOYSA-N 277.755 3.511 30 20 CHED Cc1ccc(CN(C)CCC2(C#N)CCCCC2)nc1 591039629 QQOOPHVFPCJPMS-UHFFFAOYSA-N 271.408 3.686 30 20 CHED N#CCCCOc1cccc(CN2CC[C@@H](C3CCC3)C2)c1 591267702 CBZNTDHTDLMFEC-GOSISDBHSA-N 298.430 3.991 30 20 CHED N#CCCCCCC(=O)NCc1cccc2ccsc12 593195073 QZFLZAYFBAZKQR-UHFFFAOYSA-N 286.400 3.992 30 20 CHED C[C@H](CCC#N)Sc1ccc(-c2ccco2)nn1 593441958 LNCCETHRWZOWOQ-SNVBAGLBSA-N 259.334 3.521 30 20 CHED C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 595092350 URMZVELNANHXHB-XIKOKIGWSA-N 278.355 3.602 30 20 CHED C[C@H](SCCc1ccc(C#N)cc1)c1cccnc1 596364815 SWOVPYGLOBGIPC-ZDUSSCGKSA-N 268.385 3.990 30 20 CHED N#CC[C@@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 597173897 MYUFXFGRKFXVLT-ZDUSSCGKSA-N 289.448 3.926 30 20 CHED CN(C[C@H]1CC1(C)C)C(=O)C[C@H](CC#N)c1ccccc1 598551167 RKKAPUKWYVDBLO-JKSUJKDBSA-N 284.403 3.578 30 20 CHED CCC(C#N)(CC)C(=O)NCC(C)(C)Cc1ccccc1 599529777 PKGQAOZPFDKKAG-UHFFFAOYSA-N 286.419 3.701 30 20 CHED COc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cccc(C#N)c1 601267012 SQTOKBXXTUXOLV-YJYMSZOUSA-N 292.382 3.905 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CSCc2ccccc21 602530556 BKAFVCZHXZYSFQ-WFASDCNBSA-N 260.406 3.504 30 20 CHED CCC(CC)(CC)CN[C@@H](C)CC1(C#N)CCOCC1 602571734 XHASYDVQFWZCOS-HNNXBMFYSA-N 280.456 3.891 30 20 CHED N#CCN(Cc1cc(-c2ccc(F)cc2)no1)C1CCCC1 610003242 HIIQWOBXNLQSTE-UHFFFAOYSA-N 299.349 3.749 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N2CCC[C@](C)(C#N)C2)cc1 612245333 OCMPTKAKEPCIDV-HNAYVOBHSA-N 298.430 3.895 30 20 CHED C=CCC[C@H](CCC)N[C@H](C(=O)OC)c1ccccc1F 614652399 HATUNWABPPKABV-BBRMVZONSA-N 293.382 3.764 30 20 CHED C=CCN(C(=O)Cc1cccc(Cl)c1)C(C)(C)C 622944517 VWNDLZHVSOPKCR-UHFFFAOYSA-N 265.784 3.696 30 20 CHED C=CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)C(C)(C)C 622945278 ZYGIURIFACCQOC-CABCVRRESA-N 281.440 3.641 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCc2ccc(C)cc21 645329127 QVUPDGPDUHSCPP-OAHLLOKOSA-N 257.377 3.701 30 20 CHED C=CCN(CCc1ccccc1)Cc1cc(C)c(C(=O)O)o1 652401905 HPVPRUZUTRZENJ-UHFFFAOYSA-N 299.370 3.517 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCC1(COC)CCC1 658024449 XQPJDGLQKKAUEF-HOTGVXAUSA-N 265.441 3.918 30 20 CHED C=CCC1(N[C@H](C)CC2CCCC2)CCOCC1 668551493 ORHXAGKLKLLTIF-CQSZACIVSA-N 251.414 3.670 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 672463798 HLVJIUUUSDPGSF-PBHICJAKSA-N 286.419 3.713 30 20 CHED C=CCc1ccccc1OCc1ccc(OCC)cn1 674863566 MXMCWHPEWKQPLK-UHFFFAOYSA-N 269.344 3.788 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCc2c(Cl)cccc21 678816292 OEVSUWMZULJNGP-AWEZNQCLSA-N 277.795 3.794 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCC(C)(C)c1ccccc1 684767750 RBYWINVEURRKLK-NVXWUHKLSA-N 273.420 3.535 30 20 CHED C[C@@H](NCCCC1CCC1)c1ccc(OCC#N)cc1 689062801 YTNWNRCLSOSFBC-CQSZACIVSA-N 272.392 3.820 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CCc1ccccc1 695726397 UFLMDFISBIRFCF-UHFFFAOYSA-N 284.746 3.783 30 20 CHED C[C@H](NCC1CC(C)(C)C1)c1ccc(OCC#N)cc1 701992982 GEYWDKNSWURVGX-ZDUSSCGKSA-N 272.392 3.676 30 20 CHED COc1cccc(NN=Cc2cc(F)c(F)c(F)c2)c1 727970287 XWTNRPBVFKFNTA-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C(/C=C\c1ccccc1)=NNCCCOc1ccccc1 729147500 FHTRQXKVNAPVIL-UZVPZDMXSA-N 280.371 3.744 30 20 CHED Cc1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)cc1 730148825 MRFFUVRUOFVZIF-SREVYHEPSA-N 272.325 3.651 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(O)cc2)c1C 731155556 KLUVLLCSDICZAV-FLIBITNWSA-N 252.313 3.905 30 20 CHED CC(=NNc1ccc(Br)nc1)C1CCCC1 733076162 ILJXXCGVRQQXNA-UHFFFAOYSA-N 282.185 3.822 30 20 CHED C#CCOc1ccccc1CNC(=O)C[C@@H]1CCCC[C@@H]1C 734105259 INWMWEBWLQPZDT-HOTGVXAUSA-N 299.414 3.531 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)cc2F)ccc1F 734302028 WCVCMQYBNXJLOU-UHFFFAOYSA-N 282.240 3.997 30 20 CHED CCC(CC)NN=Cc1ccccc1C(F)(F)F 734364678 AZARTJSKHMZEPI-UHFFFAOYSA-N 258.287 3.818 30 20 CHED C=CC[C@H](NC(=O)C[C@H](CC)C(C)C)c1ccncc1 734457473 JZZDRHWPJUBCPW-HOCLYGCPSA-N 274.408 3.887 30 20 CHED CCCCCCCCC(=O)OCC1CCN(C(C)=O)CC1 734891016 JEJLYMUBEDEXBJ-UHFFFAOYSA-N 297.439 3.539 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2C[C@]2(C)c2ccccc2)c1 741465312 UHLITIBNAGZTCC-HFNXDKSESA-N 281.355 3.550 30 20 CHED CCCCCCCN1CCN([C@H](C)c2cccnc2)CC1 741789336 ZCXBSQFRJJIXAI-QGZVFWFLSA-N 289.467 3.731 30 20 CHED N#Cc1ccc(OC(=O)[C@H]2CCSc3ccccc32)cc1 741881289 OPXUHIDOOIBNRE-HNNXBMFYSA-N 295.363 3.743 30 20 CHED CC1(C)C(=NNc2ccc(F)cc2F)[C@H]2CCCO[C@@H]21 743417915 PHQBZTWWEAPIPJ-YGRLFVJLSA-N 280.318 3.568 30 20 CHED Cc1cc(NN=C(Cc2ccc(F)cc2)C(C)C)ncn1 743441285 FHSIYFNGVVCQFV-UHFFFAOYSA-N 286.354 3.591 30 20 CHED Clc1cccc(NN=Cc2cnc3ccccc3n2)c1 744566930 ILIBUEFEBYKIIH-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CCCCCCCOC(=O)c1c(F)cccc1OC 745313357 XASNYPRZUHFMFO-UHFFFAOYSA-N 268.328 3.962 30 20 CHED CC(=NNc1cnccn1)c1cccc(-c2ccccc2)c1 746489779 IQIXTPROAHJARU-UHFFFAOYSA-N 288.354 3.980 30 20 CHED C(=NNc1nncc2ccccc12)c1coc2ccccc12 746558173 HXMIDAFCRGALJP-UHFFFAOYSA-N 288.310 3.822 30 20 CHED C[C@@H]1OCCC1=NNc1cc(Cl)ccc1Cl 747763339 COSIFOHJTJIOHH-ZETCQYMHSA-N 259.136 3.570 30 20 CHED N#CCC[C@H](C#N)CNc1ccc(OC2CCC2)c(F)c1 748267529 QMAPKQPOGOSPNB-GFCCVEGCSA-N 287.338 3.612 30 20 CHED COCCON=Cc1c2ccccc2cc2ccccc12 748792022 UWVLZEOXFSTFJL-UHFFFAOYSA-N 279.339 3.990 30 20 CHED C#Cc1cccc(NC(=O)CCc2cccc(F)c2F)c1 749786250 XDWJSMWRHHGXOW-UHFFFAOYSA-N 285.293 3.517 30 20 CHED CCO[C@H](CCNc1nc2ccccc2cc1C#N)C(C)C 750029317 GZLOHXYYQMUVRD-QGZVFWFLSA-N 297.402 3.970 30 20 CHED C=C(Cl)CSCc1nc(Cc2ccccc2C)no1 751033687 SUTRVBALWFALJJ-UHFFFAOYSA-N 294.807 3.955 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2C)o1 751512506 IZAUHQKUSYZZFK-RMKNXTFCSA-N 298.338 3.969 30 20 CHED CC(=Nn1cc(Br)cn1)[C@@H](C)c1ccccc1 752745586 DQMSESUUKGGWIB-SNVBAGLBSA-N 292.180 3.673 30 20 CHED CC(CCC1CCCCC1)=NNC1=N[C@@H]2CCCC[C@@H]2N1 753937161 CNIFKDCNAGETBJ-IYBDPMFKSA-N 290.455 3.583 30 20 CHED Cc1c(NN=CCCc2ccccc2)cccc1[N+](=O)[O-] 755697993 LWOHDNRGPIEQTC-UHFFFAOYSA-N 283.331 3.934 30 20 CHED Clc1ccc(Cl)c(C=NO[C@@H]2CCCCO2)c1 755825211 VXHCSYFMUQAXPS-GFCCVEGCSA-N 274.147 3.871 30 20 CHED CC(CC1CC1)=NNc1ccc(Cl)c(C(=O)O)c1 756816030 RRGFRBXFZSWGGA-UHFFFAOYSA-N 266.728 3.626 30 20 CHED C=CCN(C(=O)NCc1ccc(C)cc1SC)C(C)C 757257508 FACYTXHLINDSIS-UHFFFAOYSA-N 292.448 3.823 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)Oc2cc(C)ccc21 758510613 SXDZYONYZXFFRL-CQSZACIVSA-N 285.387 3.877 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2nc(Cl)cs2)c1C 759077737 WDQZLWFRQUSSDO-AATRIKPKSA-N 295.795 3.526 30 20 CHED C#CCCc1noc([C@H](C)CCCc2ccccc2)n1 762014548 ORSYFBFPELENQA-CQSZACIVSA-N 268.360 3.762 30 20 CHED COc1cccc(C=NOCc2ccc(C)c(C)c2)c1OC 762189404 QVTNNCLNNXLRGI-UHFFFAOYSA-N 299.370 3.871 30 20 CHED C=C(C)CNc1cc(Cl)ccc1N1CCC(CO)CC1 763245983 MXNCTKZOLMGJRS-UHFFFAOYSA-N 294.826 3.537 30 20 CHED C=CCN(C(=O)c1cc(C)cc(Cl)c1)C(C)C 763354261 OYFUKXXCDQEXQB-UHFFFAOYSA-N 251.757 3.685 30 20 CHED CCCCCCCCCC(=O)NCc1ccc(F)cn1 763844990 LBKCGDGBQDRQNQ-UHFFFAOYSA-N 280.387 3.978 30 20 CHED CO[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 764613386 MMAKCYFDXBKTQJ-DYVFJYSZSA-N 295.338 3.550 30 20 CHED Cc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cn1 764907759 AROAGFIBPKXIQK-UHFFFAOYSA-N 279.265 3.855 30 20 CHED C#Cc1cccc(N(C)C(=O)CO[C@@H]2CCCC[C@@H]2CC)c1 766381974 WAHFKRRDHNAOOV-FUHWJXTLSA-N 299.414 3.616 30 20 CHED Cc1cc(/C=C2/Cc3ccc(F)cc3C2=O)ccc1C#N 766492107 VDXHULOYSARDSN-CHHVJCJISA-N 277.298 3.828 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2)cn1 767077152 DTXXIPUBCRKDPZ-UHFFFAOYSA-N 294.354 3.862 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](CCC)CCc1ccccc1 767094179 XVGRNNXGRBSODT-KRWDZBQOSA-N 285.431 3.954 30 20 CHED COCC(CC(C)C)=NNc1c(F)cccc1Cl 769827140 OPYZEZDZRHWEJI-UHFFFAOYSA-N 272.751 3.940 30 20 CHED COc1ccccc1C=NNc1c(C)cccc1F 769828310 QTJLHASNBBQQLQ-UHFFFAOYSA-N 258.296 3.589 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1ccc(Cl)s1 771296968 WRAFPHKKRSXRSP-UHFFFAOYSA-N 294.734 3.749 30 20 CHED C#CCOc1ccc(CN2CC[C@H]2c2ccccc2)cc1 771939419 QSEGNMVGQIOZOL-IBGZPJMESA-N 277.367 3.646 30 20 CHED C#CCN(Cc1cccc(O)c1)[C@H]1CCc2ccccc21 772598355 LDYDPROZJKRIIS-IBGZPJMESA-N 277.367 3.515 30 20 CHED N#Cc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(F)c1 772800986 DJGCOJKUTAMEGF-MLPAPPSSSA-N 298.704 3.843 30 20 CHED C=C(Cl)CN[C@H](C)[C@@H](C)c1ccc(OC)cc1 773005055 NNXGWMRDTCXGOR-VXGBXAGGSA-N 253.773 3.529 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1nccc2ccccc12 773163623 XRQFTRMJUKTZQV-YBEGLDIGSA-N 297.317 3.599 30 20 CHED C=CCN1CCc2cccc(NC(=O)OC(C)(C)C)c21 775768513 TZJFWCWAHQCOAH-UHFFFAOYSA-N 274.364 3.582 30 20 CHED CC#CCCNC(=O)Nc1ccc(N2CCCCCC2)cc1 776204462 FAHHDIUMLRVSBE-UHFFFAOYSA-N 299.418 3.602 30 20 CHED O=C1/C(=C/c2nc3c(s2)CCCC3)Cc2ccccc21 776263851 SKGXETKLANFDFK-ZRDIBKRKSA-N 281.380 3.844 30 20 CHED N#C[C@H](OC(=O)c1ccc2ncccc2c1)C1CCCCC1 776378292 BFCSNHHXVOZNRJ-KRWDZBQOSA-N 294.354 3.864 30 20 CHED CSc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)nc1 777206218 UDXAXZHBQNICEF-JTQLQIEISA-N 287.363 3.987 30 20 CHED CC(=NOCCC(F)(F)F)c1sccc1C 777455262 BWPAJZGLGSXRJZ-UHFFFAOYSA-N 251.273 3.750 30 20 CHED C=C(C)CN(C)C(=O)c1cc2c(F)cccc2s1 778126173 KXODGKIBXQRLCW-UHFFFAOYSA-N 263.337 3.689 30 20 CHED CSc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)ccn1 779205467 ZANKDCONWPIYCJ-LLVKDONJSA-N 298.367 3.593 30 20 CHED CC(C)c1cnc(CNc2ccccc2O[C@H](C)C#N)o1 779744638 YVQZRYDISXYOIO-GFCCVEGCSA-N 285.347 3.701 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F 779916818 WINXDMJKMZYBJW-SWLSCSKDSA-N 291.341 3.521 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@](C)(C#N)CCc1ccccc1 779987335 UZXMIJRTLFTDIM-JJJPLKNQSA-N 284.403 3.764 30 20 CHED CC(C)[C@H](C)C(=O)OCc1ccc(Cl)cc1C#N 780037100 LLFYNFWHVQVKCD-JTQLQIEISA-N 265.740 3.547 30 20 CHED Cc1cc(F)cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 780157497 CBFYINVTLUECSW-LBPRGKRZSA-N 298.317 3.677 30 20 CHED CC1(C(=O)OCc2cc(F)ccc2C#N)CCCCC1 781267075 XFVBBFAYWHHGCH-UHFFFAOYSA-N 275.323 3.711 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3ccnc(Cl)c3)ccc21 782194826 RMAGHFPRBFUDBG-HYXAFXHYSA-N 298.773 3.623 30 20 CHED CCOc1ccc(/C=C2/COc3ccccc3C2=O)cc1F 782306878 WKXHXAWJOPSIGK-LCYFTJDESA-N 298.313 3.883 30 20 CHED O=C1/C(=C/c2ccc3cnccc3c2)Oc2cc(F)ccc21 782356330 XWFHISCWJSTGTA-IUXPMGMMSA-N 291.281 3.990 30 20 CHED CC(C)(C#N)CCCOC(=O)C1C(C)(C)C1(C)C 783959362 KLIKZHGLUAZAMX-UHFFFAOYSA-N 251.370 3.542 30 20 CHED C#CCC(C)(C)C(=O)NCC[C@H](C)CC(C)(C)C 785614749 YFPOVGKPLXJKAX-ZDUSSCGKSA-N 251.414 3.615 30 20 CHED Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)c(C)o1 785616410 AVFMWGKEMACGON-QGZVFWFLSA-N 266.344 3.545 30 20 CHED Cc1cccc(/C=C/C(=O)c2cncs2)c1OC(F)F 787173175 XXPVRZQUPXHYEH-AATRIKPKSA-N 295.310 3.949 30 20 CHED CC1CCC(=NNc2nnc(-c3ccccn3)s2)CC1 788032709 WNUHNOCPEHOULK-UHFFFAOYSA-N 287.392 3.578 30 20 CHED C=C(Cl)CN[C@H]1CC(C)(C)c2cc(OC)ccc21 788984028 MIFFNVJIEHEKCI-AWEZNQCLSA-N 265.784 3.760 30 20 CHED C/C=C(/CC)C(=O)N(CCC#N)c1ccc(C)cc1 789747714 LHGLIUDCDTZAKF-CPSFFCFKSA-N 256.349 3.598 30 20 CHED CC[C@@H](C)NN=Cc1ccc(OC)c(O[C@H](C)CC)c1 790183803 OHMNKCLGDBSPEM-CHWSQXEVSA-N 278.396 3.595 30 20 CHED CC(C)O[C@@H](C=NO[C@H]1CCCCO1)c1ccccc1 793034547 OSFSGNNPOAGUDR-HOTGVXAUSA-N 277.364 3.682 30 20 CHED Cc1ccccc1CC(=N)NO[C@H](C)c1ccc(C#N)cc1 794719197 CEZUOYNLYOXWPH-CQSZACIVSA-N 293.370 3.669 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)COc2cc(F)ccc21 794728458 QKCZJPUCIMQLCN-XFFZJAGNSA-N 272.250 3.624 30 20 CHED CCC(=NNc1ncccc1F)c1ccc(N(C)C)cc1 794986322 ZYZRRSCNJNVILT-UHFFFAOYSA-N 286.354 3.513 30 20 CHED COCCCON=Cc1ccccc1OCc1ccccc1 795052891 CVBBWMMDFAEQNE-UHFFFAOYSA-N 299.370 3.653 30 20 CHED C=C(CC)COC(=O)CCc1cnc2ccccc2c1 795804491 XKMAVNIUHKTMOI-UHFFFAOYSA-N 269.344 3.677 30 20 CHED Cc1ccc(COC(=O)c2ccc(C(C)(C)C#N)cc2)cn1 796775370 BTFNNTHUAUFTPZ-UHFFFAOYSA-N 294.354 3.548 30 20 CHED CC(C)[C@H](C(=O)OCCCC(C)(C)C#N)c1cccnc1 797906495 XCAMNEGEHGGQEP-HNNXBMFYSA-N 288.391 3.694 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cc(F)cc(F)c1O 798936871 MEJWDVACIACELR-MWLCHTKSSA-N 255.308 3.676 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc(C#N)c(Cl)c1 799884082 CMMBEKVZWMLCTA-LLVKDONJSA-N 291.782 3.816 30 20 CHED N#CC1(CCCOC(=O)CC2CCCCC2)CCOCC1 800081945 QGSHEGHUIBAKHZ-UHFFFAOYSA-N 293.407 3.601 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H]2CC[C@@H](C)C2)o1 800811416 UJVYUNOBZABTTL-MNOVXSKESA-N 260.341 3.504 30 20 CHED C#CCCCCCC(=O)N(C)[C@H](C)C1CCCCC1 801094449 KJYCOXADOGUFGB-OAHLLOKOSA-N 263.425 3.997 30 20 CHED C=CCCCCCCNC(=O)N1CCC(OC(C)C)CC1 806004094 DJLGSAOMAIGPIR-UHFFFAOYSA-N 296.455 3.722 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(N2CCCCC2)cc1 806104173 YLVVHEDGYIZDEJ-HNNXBMFYSA-N 299.418 3.600 30 20 CHED C#C[C@H](NC(=O)[C@H](C)Cc1cccc(Cl)c1)C(C)(C)C 807884786 XKHWRUKLOGJNTG-DOMZBBRYSA-N 291.822 3.683 30 20 CHED Cc1ccc(C)c(OC(=O)CCCCCC#N)c1C 807928036 GHYLISVPSIPZBN-UHFFFAOYSA-N 259.349 3.991 30 20 CHED C=CCOC(=O)c1cc(C(C)C)nc2ccccc12 808914674 MLDJKPNFUQDLQV-UHFFFAOYSA-N 255.317 3.701 30 20 CHED C[C@@H]1/C(=C/c2ccc3c(c2)OCCO3)C(=O)c2ccccc21 809159283 MNARICQYTXNNGA-KPENOIPVSA-N 292.334 3.841 30 20 CHED C#Cc1ccc(CNCc2cccc(OCC(C)C)c2)cc1 809609550 LFMALKUHJKEMMC-UHFFFAOYSA-N 293.410 3.993 30 20 CHED C=CCC[C@H](CC)Nc1ccc(OCCCO)cc1 809714241 CGBIKIAJQFIYJD-AWEZNQCLSA-N 263.381 3.605 30 20 CHED C#C[C@H](NCc1cnc(C2CCC2)s1)C(C)(C)C 809781670 XNNDQNVTEQRHHI-ZDUSSCGKSA-N 262.422 3.548 30 20 CHED C#Cc1ccccc1CC(=O)Nc1sc(CCC)nc1C 811196877 KFTYSQYMHHXMQM-UHFFFAOYSA-N 298.411 3.567 30 20 CHED CCn1c(C)cc(C=NN[C@@H](C)COc2ccccc2)c1C 811664694 HDECZETYNLWLBX-AWEZNQCLSA-N 299.418 3.516 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1ccc(Cl)cc1 811667479 WHXFXUQOFXVNLC-CYBMUJFWSA-N 288.778 3.731 30 20 CHED Cl/C=C/CON=Cc1ccc(Cl)c2cccnc12 811669459 FCBFEWWIWWUUMO-PHLFHKSWSA-N 281.142 3.991 30 20 CHED CCCOc1cccc(C=NOC/C=C/Cl)c1 811671266 PPJXLNMEBYTUFH-PVSDPCLQSA-N 253.729 3.578 30 20 CHED Fc1ccc(/C=C\C=NOC/C=C/Cl)c(F)c1 811672346 WZLHCAFCLVTATL-CPYZJOCFSA-N 257.667 3.733 30 20 CHED C#C[C@H](NC(=O)NCC1CCCC1)c1ccc(Cl)cc1 811810291 XDNCTMUBDPGRKU-HNNXBMFYSA-N 290.794 3.504 30 20 CHED C[C@@H](C=NNc1ccc(C(=O)O)cc1)C1CCCCC1 814680960 QESQHRZECWTVGV-LBPRGKRZSA-N 274.364 3.999 30 20 CHED CC1(C=NN(Cc2ccccc2)c2ccccc2)COC1 814685410 HQVHZCWUYVKMAE-UHFFFAOYSA-N 280.371 3.716 30 20 CHED CSC(C)(C)CC=NNC(=S)Nc1ccccc1F 814712504 BHYSAMSNMOALHH-UHFFFAOYSA-N 299.440 3.630 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cccc(CN(C)C)c1 814815155 OTETZHKJHOWRQZ-HNNXBMFYSA-N 295.430 3.823 30 20 CHED CCC(CC)NN=Cc1ncc(C(C)(C)C)s1 814851745 SQBNLDNOQYOQBV-UHFFFAOYSA-N 253.415 3.553 30 20 CHED Fc1cccc(F)c1NN=Cc1ccc(Cl)o1 814853043 ZISMWXYYGIXGMC-UHFFFAOYSA-N 256.639 3.657 30 20 CHED COc1ccc(NN=C2CC[C@H](Cc3ccccc3)C2)nc1 814909045 VXKKBMSRYICZGU-OAHLLOKOSA-N 295.386 3.901 30 20 CHED CSc1ccc(C=NNc2nccnc2C(C)C)s1 814916832 MJQSLYQUONPNHZ-UHFFFAOYSA-N 292.433 3.829 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1F 821007127 DBKBQRPSXUOALF-DAXSKMNVSA-N 289.237 3.769 30 20 CHED C#C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1C)C(C)C 821564837 UBHYKOYPHYXEKI-LBPRGKRZSA-N 298.308 3.793 30 20 CHED CC1(C)CCCN(CC[C@@H]2CC2(Cl)Cl)[C@@H]1C#N 822971856 CQXXAKMIMKXAPT-GHMZBOCLSA-N 275.223 3.584 30 20 CHED C#CCN(C(=O)c1oc(SC)cc1C)C1CCCCC1 824324885 CGIVEGLCIZLVOS-UHFFFAOYSA-N 291.416 3.718 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1cccnc1Cl 831733629 SYCWCETXBUAKEL-GFCCVEGCSA-N 280.799 3.529 30 20 CHED C=CCCCCCCCCNC(=O)c1cnn(C)c1Cl 832059288 MRIHPMYHCUFBHT-UHFFFAOYSA-N 297.830 3.720 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@@H]1C 834940749 QHIWSSYQWFHMMJ-GXFFZTMASA-N 276.340 3.604 30 20 CHED C[C@@H](NN=Cc1ccc(C(F)(F)F)cc1)C(F)(F)F 834996047 FRJZMBCETOCVCK-SSDOTTSWSA-N 284.203 3.580 30 20 CHED CC(=NNc1ccc(C)cc1Cl)c1cc(C)n(C)n1 835011504 KUNONBWEXPNBNY-UHFFFAOYSA-N 276.771 3.526 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 835076433 IYHPMZIQJYVFKC-QFSBIZTOSA-N 282.343 3.830 30 20 CHED CCCCCCCCNC(=O)N[C@H](C)c1nccn1CC 836375407 YVASOMKDKZVOPK-CQSZACIVSA-N 294.443 3.624 30 20 CHED CCOc1ccccc1[C@H](CC(C)C)NC(=O)C#CC1CC1 837446604 ANPFNPSDTIYTMP-KRWDZBQOSA-N 299.414 3.702 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)OCCCC(C)(C)C#N 837930556 FHCOFNIZLYAAQK-WFASDCNBSA-N 251.370 3.686 30 20 CHED C=CC[C@@H](NC(=O)N[C@@H](C)CC(C)(C)C)c1ccncc1 838477185 OTAVFMUMPULKCD-DZGCQCFKSA-N 289.423 3.823 30 20 CHED C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(C)[C@@H](C)C#N 839367066 OFWRAGMUKNPLPP-PCYYEKQGSA-N 297.185 3.767 30 20 CHED Cc1ccc(N(C)CCCC2(C#N)CCOCC2)c(F)c1 839647863 FOJMJWDYGFYQQR-UHFFFAOYSA-N 290.382 3.671 30 20 CHED CC[C@H]1CC[C@H](C(=O)Oc2cccc(OCC#N)c2)CC1 841343603 FOXDOYWPIINVSV-HDJSIYSDSA-N 287.359 3.711 30 20 CHED CC(CCCCC#N)=NNc1oc(C(C)C)nc1C#N 841621382 CVRLTEIHLZFREB-UHFFFAOYSA-N 273.340 3.541 30 20 CHED C[C@](C#N)(NC(=O)/C=C\C1CCCC1)C1CCCCC1 843567715 FNOPWXVQUXLPGS-WFTPILKQSA-N 274.408 3.712 30 20 CHED C=C[C@H](C)ON=C(CCCOC)c1ccc(F)cc1 844624937 KHLVNFTUDNMCPB-LBPRGKRZSA-N 265.328 3.548 30 20 CHED C#CCCNC(=O)Nc1ncc(-c2ccc(C)cc2C)s1 844660163 DUBNLIWVVKVKES-UHFFFAOYSA-N 299.399 3.572 30 20 CHED COc1ccc(N(C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 845998007 IJBPUPYWKICXHV-AWEZNQCLSA-N 296.370 3.622 30 20 CHED COCC[C@H](Nc1ccc(C#N)cc1C)c1ccc(C)o1 846754241 KCLZASWLONIXCZ-INIZCTEOSA-N 284.359 3.958 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCCCC1CCC1 849315917 LYVQIWVHLITHJE-ZDUSSCGKSA-N 258.365 3.970 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1cccc(C#N)c1F 849845357 ADZLHACNSUYFLJ-HNNXBMFYSA-N 281.302 3.659 30 20 CHED CCc1nc(C#N)cc(N2CCCC[C@@H]2c2ccccc2)n1 853479631 MYQBERZNQPQQTE-MRXNPFEDSA-N 292.386 3.642 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)OCC(C)(C)CC#N 860658166 CQERPPQBXDSHJM-AWEZNQCLSA-N 273.376 3.657 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(C)c(C(F)(F)F)c1 860694673 KWVSVHRAKKJARD-LLVKDONJSA-N 285.265 3.863 30 20 CHED C=CCCOCCCCC(=O)OC1CCC(F)(F)CC1 860972305 GBMCWPSLGPVXQN-UHFFFAOYSA-N 290.350 3.871 30 20 CHED C/C(=C\C1CCC(C)CC1)C(=O)NCC1(CC#N)CC1 867978257 YCSHHNJFTUCNNS-SDNWHVSQSA-N 274.408 3.569 30 20 CHED C#CCCCCCCNc1ccc([S@](C)=O)c(F)c1 876868338 ZFMMOIDYUZTURR-IBGZPJMESA-N 281.396 3.559 30 20 CHED CCN(Cc1cn(CC)nc1C)[C@@H](C)c1ccc(C#N)cc1 891656160 LVRILOUQRFVTCO-HNNXBMFYSA-N 296.418 3.666 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1cncn1C(C)C)C2=O 901428039 UMTJJGYHDSLZAA-ZSOIEALJSA-N 296.370 3.685 30 20 CHED CC[C@H](CCc1ccccc1)NCC1(C#N)CCC1 903035719 TYRBTYWXMYXNAA-MRXNPFEDSA-N 256.393 3.681 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C(=O)O)[C@H](C)CC 903597744 OEYVUYQCOXGNQP-UKRRQHHQSA-N 267.413 3.554 30 20 CHED C=CCCC[C@@H](N)c1nc(C2(c3ccccc3)CCC2)no1 904684350 ZBIFYJFBIIODDS-OAHLLOKOSA-N 297.402 3.896 30 20 CHED C[C@@H]1CC[C@H](CCC(=O)OCCCCC2(C#N)CCC2)O1 909036301 WTGLUWQAXKAZPC-HUUCEWRRSA-N 293.407 3.741 30 20 CHED CC(CCc1ccccc1)=NNc1nc(C)cc(C)n1 916241980 RZUQLYOSXPYSEJ-UHFFFAOYSA-N 268.364 3.514 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc2c(c1)OCO2 916345538 DZNOIGSTFHSFTR-UHFFFAOYSA-N 282.343 3.868 30 20 CHED Fc1ccccc1NN=Cc1cn2cc(Cl)ccc2n1 920371482 KUJXNDYOTFACAQ-UHFFFAOYSA-N 288.713 3.573 30 20 CHED CC(CCc1cccc(F)c1)=NNc1cncc(Cl)n1 920376297 YGFGNHNFUKMOPF-UHFFFAOYSA-N 292.745 3.690 30 20 CHED C=CCCOCC(=O)O[C@H](CC)c1ccc(C)cc1 920801860 WVRHKHDKQXPOJH-OAHLLOKOSA-N 262.349 3.582 30 20 CHED C[C@@H](CNCc1cccc(C#N)c1)c1cccc(F)c1 921069191 IEACTUZIHFATSB-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED COC(=O)c1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1 921263572 GXAFPHWKTBOSDI-MHWRWJLKSA-N 292.334 3.604 30 20 CHED C=C(C)COCCN[C@@H](c1cccc(C)c1)c1ccccn1 925532027 PBQGZRKVPSZEQO-IBGZPJMESA-N 296.414 3.662 30 20 CHED C=C[C@H](CC)CC(=O)N1CC=C(c2ccc(O)cc2)CC1 929568886 YOIQCWYZYUCKOZ-CQSZACIVSA-N 285.387 3.610 30 20 CHED CCSCC[C@@H](C)N(C)C(=O)Nc1sccc1C#N 931841493 DAMIJHWYIGEJKC-SNVBAGLBSA-N 297.449 3.615 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1CCCCC#N 932279197 WDCJAQUQVUZGEV-NVXWUHKLSA-N 256.393 3.948 30 20 CHED N#CCc1ccc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 1115844909 HLVFEBPOMAXEJO-CVEARBPZSA-N 297.402 3.797 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)c2ccc(F)cc2C)c1 1116270865 PRLKELUTJOUINX-RMKNXTFCSA-N 298.313 3.817 30 20 CHED Fc1ccc(CCC=NNc2ncccc2Cl)cc1 1116945287 CUMBWAKGSRXQSK-UHFFFAOYSA-N 277.730 3.905 30 20 CHED C=C[C@H](COC)NCc1ccc(C2CCCC2)cc1 1117657315 SFMSXTKURLBIAQ-QGZVFWFLSA-N 259.393 3.635 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2csc(C#N)c2)CC1 1117793746 ABYFJBZGUBYHGR-LBPRGKRZSA-N 276.405 3.518 30 20 CHED C=C(CC)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1123730555 ULNMOOPLEOHGBM-DLBZAZTESA-N 287.403 3.545 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2ccccc2F)c1 1129685341 NGSCCDRDCZYURH-LBPRGKRZSA-N 282.318 3.748 30 20 CHED CCC(=O)c1ccccc1NC(=O)c1cc(C#N)ccc1F 1131860008 SJEYKDARAHZIIS-UHFFFAOYSA-N 296.301 3.542 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(CC#N)c1 1158295273 LIKKCZKFSABJLY-UHFFFAOYSA-N 289.338 3.795 30 20 CHED Cc1cc(C)n(-c2ccc(Oc3cccc(C#N)n3)cc2)n1 1186695589 CMCTZKHKDHWKTA-UHFFFAOYSA-N 290.326 3.548 30 20 CHED CC(C)(CNC(=O)Nc1ccc(C#N)cc1)C1CCC1 1214155002 NGDYYDWKQQZNLH-UHFFFAOYSA-N 271.364 3.506 30 20 CHED N#Cc1ccnc(/C=C/c2ccc(Br)s2)c1 1256730405 QSSQPBLUAJJBGD-OWOJBTEDSA-N 291.173 3.948 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1ncc(C)s1)C1CC1 1262017404 YTRMKZXJQOYJQF-ZDUSSCGKSA-N 278.421 3.621 30 20 CHED CC(C)c1ncsc1NC(=O)[C@@H](CC#N)c1ccccc1 1272903202 OVKRNAZHPJMELV-ZDUSSCGKSA-N 299.399 3.902 30 20 CHED N#Cc1ccc(NC(=O)NC2(C3CCCCC3)CC2)cc1 1309984248 ATMFRJDCOBZMOY-UHFFFAOYSA-N 283.375 3.793 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)CC(C1CC1)C1CC1 1318598581 NAOMRCVAKLOYNQ-UHFFFAOYSA-N 299.418 3.880 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)n2cccc2)CCCC1(C)C 1320947756 LFEUOPGHMSONFV-GJZGRUSLSA-N 274.408 3.642 30 20 CHED C[C@@H](SCC1(C#N)CC1)c1nccn1-c1ccccc1 1323444451 XNVWHVLMVMRYKT-CYBMUJFWSA-N 283.400 3.970 30 20 CHED CC(C)(C)c1nnc(CSc2cccc(F)c2C#N)o1 1328042113 HSCWRHOEBGCCOL-UHFFFAOYSA-N 291.351 3.670 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H](C)OC1CCCCC1 1328348971 MVHPQNGNWDPBAN-OAHLLOKOSA-N 294.439 3.513 30 20 CHED Cc1occc1C(=O)N(c1cccc(C#N)c1)C1CCC1 1331452804 KBWWQYZOHCDMSL-UHFFFAOYSA-N 280.327 3.659 30 20 CHED C=CCC[C@H](NC1CC(CC(=O)O)C1)c1ccccc1 1333148546 LHUSVJFFVIIJHL-BCLQGDPASA-N 273.376 3.537 30 20 CHED Cc1ccc(C[C@@H](C)Nc2cccc(CC#N)n2)c(C)c1 1342843955 RJPNGEVTVADDTA-OAHLLOKOSA-N 279.387 3.808 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@H](F)C(C)C)c1cccs1 1345106293 VDWLONYOZMEDAS-RAIGVLPGSA-N 283.368 3.876 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](CC)c1ccncc1 1346218151 JAVSNINANSRDKD-CVEARBPZSA-N 287.407 3.673 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)CCC3(C)CC3)[nH]c12 1347052169 PWEULGJZLWOBIU-GFCCVEGCSA-N 281.359 3.628 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)o1 1349996356 ANLSLLVGQAKNFD-DOMZBBRYSA-N 297.358 3.529 30 20 CHED C=C(C)[C@H](NCc1cnc(CC)o1)c1ccc(F)c(F)c1 1351321371 XETRBXAPHSXTOD-INIZCTEOSA-N 292.329 3.922 30 20 CHED CC[C@H](F)C(=O)Nc1ccccc1S[C@@H](C)CC#N 1357898912 RXTALEMSXVQIEY-QWRGUYRKSA-N 280.368 3.767 30 20 CHED CCC1(NC(=O)c2ccc(C)c(C#N)c2)CCCCC1 1436335292 HQNXZBZIVFEEDD-UHFFFAOYSA-N 270.376 3.709 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1csc(C#N)c1 1436532664 CJMJHNKCZPEJQI-VXGBXAGGSA-N 276.405 3.566 30 20 CHED Cc1nc(C#N)cc(Sc2ccc(F)c(Cl)c2)n1 1458069849 LWWXHACEYOVXCB-UHFFFAOYSA-N 279.727 3.600 30 20 CHED N#Cc1nc(NCC[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 1458141230 FLHBYLZKZCYJTR-SRVKXCTJSA-N 275.783 3.845 30 20 CHED CC[C@H](F)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 1460376257 GUMMABXYWBECSR-LNLATYFQSA-N 294.395 3.992 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1(c2ccccc2C)CCCCC1 1461198489 UPHWACQKDIVQGR-INIZCTEOSA-N 298.430 3.958 30 20 CHED Cc1c(Cl)cnc(NCC23CCC(CC2)C3)c1C#N 1472745567 CSPUXWGFRSTBJD-UHFFFAOYSA-N 275.783 3.907 30 20 CHED CC[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1 1519772979 PPLRYSHANCOULO-QGZVFWFLSA-N 296.345 3.507 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cc(Cl)ccc1C 1521181026 SVNHRHZKPUUVCK-AWEZNQCLSA-N 280.799 3.802 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 1521711923 RABQCNZIBXMJGB-LSDHHAIUSA-N 298.386 3.916 30 20 CHED Cc1cccc(NC(=O)[C@@H](CC#N)c2ccccc2)c1C 1523691223 WHXBUQWLGIJUBD-INIZCTEOSA-N 278.355 3.939 30 20 CHED C=C[C@H](N[C@@H](CC)c1cccc2ccccc12)C(=O)O 1573347166 JJLMJEIMYLHLSH-HOTGVXAUSA-N 269.344 3.520 30 20 CHED C#Cc1ccc(CNc2cc(C(=O)O)c(C)cc2C)cc1 1588516918 HSBJPULHROMKPZ-UHFFFAOYSA-N 279.339 3.595 30 20 CHED C#Cc1ccc(N[C@@H]2CC[C@@H](CC(=O)O)[C@@H]2C)c(Cl)c1 1588517900 JABDVCWCAJQHGR-VHRBIJSZSA-N 291.778 3.623 30 20 CHED C[C@H](Nc1ccc(C(=O)O)c(F)c1)c1cccc(C#N)c1 1593359609 JYWIOYULIDLVJO-JTQLQIEISA-N 284.290 3.569 30 20 CHED O=C(O)c1ccc(Cl)c(/C=C2\Cc3ccccc3C2=O)c1 1602358909 OLPUFVVFBZSJKU-UKTHLTGXSA-N 298.725 3.861 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(C)c(C(=O)O)c1 1602856517 BLYHRVWHPBZHNG-UHFFFAOYSA-N 290.363 3.560 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)Cc2ccc(C)cc2C)n1 1611975225 DNGWFGXDHCBSRI-AWEZNQCLSA-N 294.402 3.571 30 20 CHED Cc1cnccc1CSc1cccc(F)c1C#N 1613820998 ALWGYPDVDJESCJ-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#Cc1c(F)cccc1OCc1cccc2ncccc12 1643798135 NGPPZBUKGQXEIK-UHFFFAOYSA-N 278.286 3.825 30 20 CHED COc1cc(OC[C@H]2CCCC[C@H]2C)ccc1C#N 1643890727 OWABQIMMAVCBHM-TZMCWYRMSA-N 259.349 3.772 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1C[C@H](OC(C)C)C1(C)C 1645714214 WTEAWBHUCJPOHN-SJORKVTESA-N 286.419 3.548 30 20 CHED Cc1cc(=N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c(C#N)c[nH]1 1655419901 PBERKRWANFJAMK-AZUAARDMSA-N 299.377 3.805 30 20 CHED C=C(CN[C@H]1CCC[C@H](OCC)C1)c1ccccc1 1661311016 QIHHHMNTNCAHNL-IRXDYDNUSA-N 259.393 3.637 30 20 CHED C=C(CNC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1667902663 WOMOJKZELPAJHS-RYQLBKOJSA-N 298.430 3.825 30 20 CHED O=C(O)Cc1ccc(NN=Cc2cc3ccccc3o2)cc1 1776083909 GMVBHSQDWQYICT-UHFFFAOYSA-N 294.310 3.506 30 20 CHED O=C(O)/C=C/c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1776131405 QANDQBWTPGJKSV-YDWXAUTNSA-N 296.297 3.820 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CC[C@@H]2CCC[C@@H](C)C2)C1 1776160705 XGDPFEMOYYVFOX-VYDXJSESSA-N 279.424 3.556 30 20 CHED Cc1csc(-c2noc([C@@H](C)c3cccc(C#N)c3)n2)n1 361250171 IPVXLCWOTBVGIF-JTQLQIEISA-N 296.355 3.525 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccn(C)c1C1CCC1 336146977 GDDFGPNXZSAZHA-UHFFFAOYSA-N 293.370 3.725 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1cc(C)sc1C)OCC 339419803 RMOCOMCKLBIXIW-SWLSCSKDSA-N 295.448 3.913 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(C)ccc2OC)c1 7915491 UVNZELAXFLOEEK-CMDGGOBGSA-N 282.339 3.908 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H](C)c2ccccc2F)n1 109038228 UAAAVLXQMHWPBP-JQWIXIFHSA-N 288.347 3.571 30 20 CHED N#CC1(COc2cc(F)cc(Br)c2)CCC1 418917937 IRWSUAFKTUYYRA-UHFFFAOYSA-N 284.128 3.661 30 20 CHED C[C@H](C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)s1 175983958 NAPWRUQGMQACNT-JTQLQIEISA-N 296.823 3.848 30 20 CHED C=CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 175697413 VJHDZCRJQVIUFJ-GOEBONIOSA-N 257.377 3.747 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cccc3ccoc23)C1 1330528331 JKYSZCPONJUPRH-INIZCTEOSA-N 254.333 3.558 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1oc2c(F)cccc2c1C 56410072 BNYTURUHDJDJQD-JTQLQIEISA-N 288.322 3.502 30 20 CHED C#CCCCCC(=O)Oc1ccc(OCC2CC2)cc1 119763167 VTLAABHXXLADHX-UHFFFAOYSA-N 272.344 3.574 30 20 CHED C=CCOc1cccc(CN[C@H]2CCC[C@H](C)C2)c1 66117339 KPMLUHSGMWLBGL-HOCLYGCPSA-N 259.393 3.920 30 20 CHED COC[C@@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1 178301723 YULJVFRYCFZFJM-CYBMUJFWSA-N 267.328 3.639 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 174295310 OZIZUVDYNZXLQQ-RHSMWYFYSA-N 285.387 3.656 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(CC#N)c2)C1 171514542 UFHMBMMCPSIDOC-DOTOQJQBSA-N 284.403 3.697 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 119327573 JJOBZWTVBJPFPM-DLBZAZTESA-N 294.483 3.680 30 20 CHED CSCC[C@H](C)Nc1ccc(C#N)c(Cl)c1 135476643 MWEIUEKTXVLXIM-VIFPVBQESA-N 254.786 3.765 30 20 CHED CC(C)(C)c1cccc(OCCNCc2ccc(C#N)o2)c1 174394014 GXSJTBDOFSLCGJ-UHFFFAOYSA-N 298.386 3.617 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1340246936 XPAVGZMQPPXPKV-CQSZACIVSA-N 271.404 3.922 30 20 CHED COc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1F 172044891 BXOGVDNSRGMXAL-SDQBBNPISA-N 286.277 3.796 30 20 CHED C#CC[C@H](OC(=O)/C=C(\C)c1ccccc1)c1ccccn1 172027739 XCASKTHOQUJCIR-JJJPLKNQSA-N 291.350 3.793 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(OCC(=C)C)c1 66463058 TVAUCJIBSNJGAG-AWEZNQCLSA-N 289.375 3.561 30 20 CHED C[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c1cccc(F)c1 173794270 WPPPNVWKLMAYIA-IGCXYCKISA-N 288.366 3.518 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)cn1 68395832 IDSUHMJMROAOAT-FMIVXFBMSA-N 288.350 3.983 30 20 CHED CC(C)Cc1ccc(CN2CCC(C#N)CC2)cc1 170644077 HTPUWGCBGWJYCB-UHFFFAOYSA-N 256.393 3.621 30 20 CHED COc1ccc2oc(/C=C/c3ccc(C#N)cn3)cc2c1 179164494 KKEZZGPMGBCJPT-SNAWJCMRSA-N 276.295 3.878 30 20 CHED Cc1ccc(C)c(C(=O)CCC(=O)O[C@H]2CC[C@@H](C#N)C2)c1 179920740 HPIUJFNANDCJJS-CABCVRRESA-N 299.370 3.502 30 20 CHED Cc1cc(OCCCCC(C)(C)C#N)ccc1C#N 436242486 FVPYFFZRPWIZHB-UHFFFAOYSA-N 256.349 3.966 30 20 CHED C=CCOc1ccc(CNCc2ccoc2)cc1Cl 66989027 NCXGXVWZOIPMME-UHFFFAOYSA-N 277.751 3.788 30 20 CHED C=CCC[C@@H](NCC1(CCOC)CCC1)C1CC1 121677195 CSKRNSLEODEAIQ-OAHLLOKOSA-N 251.414 3.528 30 20 CHED C=CCOC(=O)CCC(=O)c1ccc(CCCC)cc1 302991675 SCFLFYAFAXXVAD-UHFFFAOYSA-N 274.360 3.721 30 20 CHED CC(C)(CCC#N)CNc1ccc(-n2ccnc2)c(F)c1 121344328 LZEBTANDBQBRJL-UHFFFAOYSA-N 286.354 3.753 30 20 CHED C=CC[C@H](C(=O)O[C@H]1CCc2cccnc21)c1ccccc1 189313106 QTUFGHHWPAJBMZ-IRXDYDNUSA-N 293.366 3.972 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@@H](CC)C(C)C 303821958 AFDHVRXTLZRERY-CYBMUJFWSA-N 291.366 3.849 30 20 CHED C=C(C)COCCNc1ccnc2ccc(Cl)cc12 301640842 BHUGAKYFUNIAAE-UHFFFAOYSA-N 276.767 3.893 30 20 CHED CCc1ccc(C/N=C(/N)Nc2ccc(C)cc2)s1 303909995 YNNFSEFRURNORC-UHFFFAOYSA-N 273.405 3.546 30 20 CHED N#C[C@H]1CCC[C@H](NCC2(c3ccc(F)cc3F)CC2)C1 185872576 ZDQSAZOQUODXCA-JSGCOSHPSA-N 290.357 3.668 30 20 CHED C[C@H](Nc1nc2ccccn2c1C#N)c1ccc(F)cc1F 302121935 YGQGFVKODSTNBB-JTQLQIEISA-N 298.296 3.657 30 20 CHED C=CCN(C(=O)Cc1cc(F)ccc1F)c1ccccc1 74241132 QFOLRROSHMLPSS-UHFFFAOYSA-N 287.309 3.727 30 20 CHED Cc1c(C(=O)N[C@H]2CC[C@@H](C)C2)sc2ccc(C#N)cc12 504247675 VKFZKOMOHNSRDU-MFKMUULPSA-N 298.411 4.000 30 20 CHED C=CCCSc1nnc(-c2cccs2)n1CC 128511963 PPTAGTXFRTXLPF-UHFFFAOYSA-N 265.407 3.695 30 20 CHED Cc1cccnc1[C@H](N[C@H]1CCC[C@H](C#N)C1)C(C)C 185834498 MSSQUBSLDOCEBQ-HRCADAONSA-N 271.408 3.759 30 20 CHED C#CCC(C)(C)C(=O)NCC1(c2cccc(Cl)c2)CC1 185640719 OHFRKGZRPAVLNR-UHFFFAOYSA-N 289.806 3.537 30 20 CHED C=CCC1(C(=O)N[C@H]2CCCc3occc32)CCC1 188023819 HXYIUBTZQBFUAM-ZDUSSCGKSA-N 259.349 3.520 30 20 CHED COc1cccc(-n2ccnc2SCCCCC#N)c1 122033700 ZIPAPSBSFCBYNO-UHFFFAOYSA-N 287.388 3.667 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CC[C@H](CC)C1 508488857 LEOZGSIYTVPJTO-HNNXBMFYSA-N 296.418 3.676 30 20 CHED N#CCc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 313470871 YBWLSBHTDKQVIF-SFHVURJKSA-N 290.366 3.811 30 20 CHED C=C(C)CN[C@@H](c1c(F)cccc1F)C(F)(F)F 183441987 ZSFLPSJLGJYZTI-NSHDSACASA-N 265.225 3.734 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(CC)ccn1 180077675 BXQLEYQDAPPOPK-UHFFFAOYSA-N 294.398 3.515 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(C2CC2)cc1 417355049 NCGUBYZEVFRRGE-DCGLDWPTSA-N 254.377 3.907 30 20 CHED Cc1cccc(C)c1CNCc1cc(C#N)cs1 132147322 GPTZXQSAUKMQOQ-UHFFFAOYSA-N 256.374 3.526 30 20 CHED C=CC[C@@H](C(=O)NCc1ccc(C#N)cc1)c1ccccc1 186500202 JJDUCRWQJCNAAG-GOSISDBHSA-N 290.366 3.534 30 20 CHED N#Cc1cc(COc2cc(F)ccc2F)ccc1F 177353797 SZXUROGOGRNRBN-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CCC[C@H](C(=O)N1CCc2ccc(C#N)cc21)C(C)C 486449179 RHOLMHIZMNCVIA-HNNXBMFYSA-N 270.376 3.520 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H](C)C(C)(F)F)c1C#N 410432341 JIGBJCVSMOEOEV-SSDOTTSWSA-N 286.347 3.720 30 20 CHED CC#CCCCC(=O)N1CCC2(CCCCC2)CC1 185413648 FQGXZIOFTXUFMZ-UHFFFAOYSA-N 261.409 3.753 30 20 CHED N#Cc1cc(F)ccc1CN1CCC[C@H]1C1CCCC1 489580117 USVBVZIBMMRCIJ-KRWDZBQOSA-N 272.367 3.852 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1ccc(-c2ccccc2)cc1 509064884 PZFCIJRJBNEPNE-AWEZNQCLSA-N 293.370 3.977 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 120123909 BTQIMTSDXMBLQP-UHFFFAOYSA-N 291.351 3.642 30 20 CHED C=C[C@H](CC(=O)NC[C@H](CC(C)C)OC)c1ccccc1 416062182 NXFCCAIUGUXTLU-WBVHZDCISA-N 289.419 3.524 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 188765434 SCZHFPPDBGSTHF-IEBWSBKVSA-N 297.398 3.592 30 20 CHED Cc1nc(C)c(-c2nnc(S[C@@H](C)CCC#N)o2)s1 188292116 GQLSTLRNSATGGM-ZETCQYMHSA-N 294.405 3.594 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1cncs1 188342035 HEDOONGCUREIAN-ZDUSSCGKSA-N 282.453 3.798 30 20 CHED CCc1cccc(Cl)c1CNCC1(C#N)CCC1 418138086 FWNLAFWBKQZSCP-UHFFFAOYSA-N 262.784 3.686 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C(C)=C\CC 79183601 VGFOEKMUUWYODU-AUWJEWJLSA-N 273.376 3.566 30 20 CHED C=CCC[C@H](NCC[C@@](C)(O)c1ccccc1)C1CC1 187918813 UDOBWMBAFLQDHL-ZWKOTPCHSA-N 273.420 3.619 30 20 CHED C=C(C)CCSc1nnc(Cc2ccccc2)n1CC 505455322 JXKHONAILHHBAZ-UHFFFAOYSA-N 287.432 3.947 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)C(C)(F)F 410969763 QDWGMAPZFNZMQW-QMMMGPOBSA-N 286.709 3.636 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1cccc(Cl)c1Cl 417604543 BZRBBFUEYSCVIQ-JTQLQIEISA-N 288.174 3.502 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cccc(OC(F)F)c1 414163169 IGUHDNZYVKAXKT-NSHDSACASA-N 282.334 3.878 30 20 CHED CN(CCCc1ccccc1)Cc1ccc(C#N)cc1F 46087709 HAZMVYSSQRPDPF-UHFFFAOYSA-N 282.362 3.762 30 20 CHED CCC[C@H](C)[C@H]1CCCN1CCCSCC#N 135354509 LODPBRBRYGHLKA-UONOGXRCSA-N 254.443 3.534 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2ccc(C)s2)cc1 130139488 QFGYYQWPCMXJBO-MDZDMXLPSA-N 286.352 3.739 30 20 CHED CC[C@@H]1OCCC[C@H]1C(O)=Nc1nccn1-c1ccccc1 328747670 QBYOZKURHVYYQL-CABCVRRESA-N 299.374 3.666 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(O)c(OC)c2)ccc1C 193125484 HKFHPYVNJBPVJB-SOFGYWHQSA-N 298.338 3.614 30 20 CHED CCOCC(C)(C)CNc1ccc(C#N)c(Cl)c1 381317306 FHEMOYURABXVBO-UHFFFAOYSA-N 266.772 3.686 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)CC(C)(C)OC)c1ccccc1 135928644 QIOKMXZFNUHMKR-GJZGRUSLSA-N 289.419 3.666 30 20 CHED N#CC1(C(O)=Nc2cnc3c(c2)CCCC3)CCCC1 329307226 PMKIDCSAQQLSBE-UHFFFAOYSA-N 269.348 3.632 30 20 CHED Cc1c(NC(=O)C2C[C@@H](C)C[C@H](C)C2)ccc(C#N)c1C#N 421551989 BAMLSDUVKLILQM-RYUDHWBXSA-N 295.386 3.749 30 20 CHED C=C[C@H](CC(=O)N(C)CCC(C)C)c1ccccc1 131536622 JKCOZSXOXOKOEZ-OAHLLOKOSA-N 259.393 3.851 30 20 CHED C=C(C)CN(C)C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 194472335 QTWODYRRWQIGEF-NSHDSACASA-N 293.436 3.698 30 20 CHED OC(=Nc1cccnc1)C1CCC(/N=C(/O)C2CC2)CC1 329997002 PUHCDRIUNIHKBW-UHFFFAOYSA-N 287.363 3.595 30 20 CHED N#CCC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 133938935 MIKBDPOVMASZPY-INIZCTEOSA-N 298.773 3.654 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)cc1 229274293 QXMYEFDFZYLGIU-KRWDZBQOSA-N 284.403 3.530 30 20 CHED N#Cc1ccc(C(=O)NCCCc2cccc(Cl)c2)cc1 194846657 RJXNWFPOYGHODA-UHFFFAOYSA-N 298.773 3.574 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(OCC2CCCC2)CC1 424716202 VEUXDFUZHAFUPM-UHFFFAOYSA-N 293.451 3.787 30 20 CHED CC(C)(C)c1noc(CSc2ccc(C#N)cc2)n1 48511975 KUTLPVXJOHEMAY-UHFFFAOYSA-N 273.361 3.531 30 20 CHED C[C@@H](NCc1cccc(C#N)c1F)c1cccs1 221211255 DTCUXECBGSOTPX-SNVBAGLBSA-N 260.337 3.610 30 20 CHED C=CCC1(C(=O)OCCc2cccs2)CCC1 192115528 HZFJVZHUZRKDGX-UHFFFAOYSA-N 250.363 3.580 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(-n2cccc2)cc1 337099403 UMHPXKFIYGJCHC-HNNXBMFYSA-N 268.360 3.562 30 20 CHED N#Cc1cccc(CN2CC[C@@H](c3ccccc3F)C2)c1F 339379619 REWIIQOIEJPSAY-CQSZACIVSA-N 298.336 3.826 30 20 CHED C[C@H](N[C@H]1CCc2cccnc2CC1)c1ccc(C#N)cc1 335026912 AJFDYOJOPISXSG-KSSFIOAISA-N 291.398 3.551 30 20 CHED N#Cc1csc(C(=O)Nc2cccc(Cl)c2)c1 84057852 UEUNVIIXUMWFOD-UHFFFAOYSA-N 262.721 3.525 30 20 CHED Cn1cc(CN(Cc2ccccc2)C(C)(C)C)cc1C#N 191158754 WGAHKDJTXBTGBM-UHFFFAOYSA-N 281.403 3.697 30 20 CHED N#Cc1ccc(-c2csc(NCC3CCC3)n2)cc1 195675389 NUUHECXFOWZRFI-UHFFFAOYSA-N 269.373 3.894 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(c3cccc(F)c3F)CC2)C1 335666000 NBOHUYSXZZWQOS-JSGCOSHPSA-N 290.357 3.836 30 20 CHED C=CCC1(C(=O)Nc2cccc(C(C)=O)c2)CCC1 190364217 IXFHYCUFGUPOMW-UHFFFAOYSA-N 257.333 3.574 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc3c(c2)CCC=C3)n1 336334505 NKVSYFFWNRWLHZ-HNNXBMFYSA-N 294.379 3.901 30 20 CHED CCCC[C@@H](NC(=O)c1cccc(C#N)c1C)C1CCC1 512831829 FIBJJTRYMMRKJS-QGZVFWFLSA-N 284.403 3.955 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccc(Cl)s1 334276477 NMHCEECSSMGXDY-UHFFFAOYSA-N 291.763 3.567 30 20 CHED C[C@@]1(CNc2cnccc2C#N)C[C@@H]1c1ccccc1 338739813 LKEOWDKMJBMVAP-WBVHZDCISA-N 263.344 3.559 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CCCC[C@H]1C 425552408 RPPAGRWLSYPLGE-ZIAGYGMSSA-N 264.413 3.791 30 20 CHED Cc1ocnc1/C(O)=N/[C@@H](C)c1nc(C(C)(C)C)cs1 330664313 YJXKAEFDPPDPMO-QMMMGPOBSA-N 293.392 3.803 30 20 CHED COc1cc(CN2CCC[C@@H]2C2CCCC2)ccc1C#N 234994593 RJUKMSTUWPNAHB-QGZVFWFLSA-N 284.403 3.721 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(c3ccccc3F)CC2)C1 518571967 RIQWLDACCJCCHT-DZGCQCFKSA-N 272.367 3.697 30 20 CHED CC[C@H](N[C@H](C)c1ccncc1F)c1ccc(C#N)cc1 338018959 NSQAJZMFUSNLJR-PXAZEXFGSA-N 283.350 3.894 30 20 CHED C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc(C#N)cc2)C1 518465899 HMNYKIXXIXECGP-KXBFYZLASA-N 291.398 3.806 30 20 CHED CCc1cccnc1/C(O)=N/CC1(OC)CCC(C)CC1 331041204 DGOPKNFPXRWVQJ-UHFFFAOYSA-N 290.407 3.544 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1cccc(C#N)c1 438473284 DFSZROSZYPXKKJ-CYBMUJFWSA-N 270.298 3.625 30 20 CHED N#Cc1ccc(NCCSc2ccccc2)cc1[N+](=O)[O-] 94591663 GNWVGTVHSJYVSV-UHFFFAOYSA-N 299.355 3.671 30 20 CHED C=C1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 336374578 HSAFJUFJSNTTQG-UHFFFAOYSA-N 294.354 3.666 30 20 CHED CC(C)[C@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 94593250 JCMSQJRPSRVSGW-ZDUSSCGKSA-N 287.363 3.729 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1C[C@H](c2cccc(F)c2)C1 435585505 SLXSTCKNQGQKGT-JCNLHEQBSA-N 291.329 3.927 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1ccc(CC#N)cc1 248151448 HHNBLKVJFMQQPV-LBPRGKRZSA-N 276.405 3.613 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1COCc1ccccc1 347075446 SDETXTMILVPXGN-AWEZNQCLSA-N 294.354 3.502 30 20 CHED CCCC(CCC)SCC(=O)N(CC)C[C@@H](C)C#N 520165430 YUZHENCRICQCLH-ZDUSSCGKSA-N 284.469 3.697 30 20 CHED N#Cc1cc(NCc2c[nH]nc2-c2ccsc2)ccc1F 432424663 PXOHTDSEQSQPFE-UHFFFAOYSA-N 298.346 3.761 30 20 CHED CCO[C@@H](CCNc1snc(C)c1C#N)C1CCCC1 342817015 LCXRCBAWBGDAML-AWEZNQCLSA-N 293.436 3.721 30 20 CHED COc1cccc(C2(NC[C@H](C)CCC#N)CCC2)c1 602719570 YPTPWLCOHJLAME-CQSZACIVSA-N 272.392 3.604 30 20 CHED COCc1noc([C@@H](C)SCCCCC(C)(C)C#N)n1 435893846 RTYCNKIXRWSEED-LLVKDONJSA-N 297.424 3.730 30 20 CHED N#CCc1ccc(CNc2cnn(-c3ccccc3)c2)cc1 345367015 LZADMFSCLBLWLF-UHFFFAOYSA-N 288.354 3.550 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CC)CC1CCCC1 437513798 AGZLLZNJGMGUPE-ZACQAIPSSA-N 293.451 3.690 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccnc(-c2ccccc2)c1 348844418 NKQLZIUFEXJDLF-CYBMUJFWSA-N 281.359 3.835 30 20 CHED CC(C)OCCC/N=C\c1c(O)ccc2ccccc12 255073243 DSZXWNLTLKKBAW-PDGQHHTCSA-N 271.360 3.779 30 20 CHED CC1(C)COc2cc(NCc3ccc(C#N)c(F)c3)ccc21 527746982 VIPSRMSCVHXTBG-UHFFFAOYSA-N 296.345 3.979 30 20 CHED C=CCN(CCC#N)Cc1cc2c(C)cc(C)cc2[nH]1 430106986 WIIUGLOIOIARJS-UHFFFAOYSA-N 267.376 3.686 30 20 CHED Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c(C)n1C1CC1 434438207 RHYWHLJBLDFDRP-INIZCTEOSA-N 299.418 3.594 30 20 CHED N#Cc1ccccc1/C=C\c1nc(-c2cccs2)no1 255276713 CYPSRWCEQVLIFG-FPLPWBNLSA-N 279.324 3.840 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(OC)cc2)c1 255828179 OWWAMPHIWVLMDM-UHFFFAOYSA-N 271.316 3.550 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cccc(F)c2)s1 255237630 FFGDGHCCZPZNSZ-SREVYHEPSA-N 257.289 3.655 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1cccc(C)n1)c1ccccc1 340216228 CNUPTYCESQYJRX-MRXNPFEDSA-N 294.398 3.708 30 20 CHED C=CC(C)(C)CNCc1cnc(C2CCC2)s1 449484462 HJMNHKMDFXDUOJ-UHFFFAOYSA-N 250.411 3.712 30 20 CHED C=CC[C@H](C)Nc1ncnc2sc3c(c12)CCCC3 523942027 PKVIRTQTRYFICV-JTQLQIEISA-N 273.405 3.947 30 20 CHED C=CCCc1nc(-c2ccc(C(C)(F)F)cc2)no1 520902027 SGNCFGMREQLVIO-UHFFFAOYSA-N 264.275 3.967 30 20 CHED C=CC(C)(C)C(=O)NCCCCCc1ccccc1 448882363 BYEOZMZWDDGIAA-UHFFFAOYSA-N 259.393 3.728 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1OC 255915522 KNFFVQZYYXKWQN-PLNGDYQASA-N 299.351 3.533 30 20 CHED N#C[C@H](COC(=O)/C=C\c1ccccc1)Cc1ccccc1 255358628 XICNPEAICDCZGQ-YUIUBULTSA-N 291.350 3.625 30 20 CHED C[C@@H]1C[C@@H](C)CN(CCCCNc2ccc(C#N)cc2)C1 603860523 JTCGMHCKHLFZMP-HZPDHXFCSA-N 285.435 3.728 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 355653512 OLHWRHLHXMXEFB-CHWSQXEVSA-N 285.391 3.755 30 20 CHED CCCCc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1 448560820 CICNYMMCOHXAJJ-MLGOLLRUSA-N 256.349 3.517 30 20 CHED CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C#N)c(F)c1 539610441 WPIPTJOODROVKC-HSMVNMDESA-N 260.356 3.927 30 20 CHED COc1ccc(-c2ccc([C@@H]3CCCN3)cc2)c(C#N)c1 600788929 BXYDUGOWFXRMOI-SFHVURJKSA-N 278.355 3.658 30 20 CHED C=CCOCCCSCc1cncc(C(F)(F)F)c1 359503261 HAMUOAPYMBBYKK-UHFFFAOYSA-N 291.338 3.926 30 20 CHED C[C@](C#N)(NC(=O)c1cccc(Cl)c1)C1CCCCC1 609640762 NFQSQXSBOFRGJA-MRXNPFEDSA-N 290.794 3.932 30 20 CHED CCCCO[C@H]1C[C@@H](NCc2cc(C#N)cs2)C1(C)C 530904078 CSNDQZUYLCEKQV-CABCVRRESA-N 292.448 3.693 30 20 CHED Cc1ccccc1O[C@H](C)CNC1CCC(C)(C#N)CC1 449174131 YENASJMKJOYSEC-KLHKWILBSA-N 286.419 3.824 30 20 CHED N#CCc1ccnc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 535908557 ADRVPLGPIWXWJV-OWCLPIDISA-N 297.402 3.693 30 20 CHED C=CCCCC[C@H](C)NC[C@]1(C)CCO[C@@H]1C1CC1 449254524 YLYWITAHAAONRH-UAGQMJEPSA-N 265.441 3.916 30 20 CHED C=CCCCN1CCN([C@H](C)c2ccc(F)cc2F)CC1 605150647 JZIWRCJRHXUEOR-CQSZACIVSA-N 294.389 3.610 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCCc1ccccc1 538286741 REGROQUKRNWSTF-OAHLLOKOSA-N 274.408 3.663 30 20 CHED C=CCCCC(=O)Nc1cc(-c2nc(C)no2)ccc1C 530885286 JIRMRSKXJAUVGL-UHFFFAOYSA-N 285.347 3.648 30 20 CHED Cc1ccccc1OCCCN[C@H](C)c1ccc(C#N)cc1 538396158 JZPJTOBBIHNAAI-MRXNPFEDSA-N 294.398 3.986 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccc2cc[nH]c12 353420381 GFPXTCOXAYRROB-UHFFFAOYSA-N 269.392 3.930 30 20 CHED CC[C@H]1CN(CC2(C#N)CC2)CC[C@H]1c1ccccc1 539451288 LCMPSEXLYOTWPP-DOTOQJQBSA-N 268.404 3.806 30 20 CHED C/C=C\c1ccc(NC(=O)N[C@@H](CC)CC#N)cc1 353268561 YEBUXWCQPLBOIR-DXTPNHAXSA-N 257.337 3.533 30 20 CHED C=CCN(C(=O)c1ccc(O[C@@H](C)CC)cc1)C1CC1 357492393 HVMNZKXWOVJWIM-ZDUSSCGKSA-N 273.376 3.655 30 20 CHED N#Cc1ncccc1NCc1ccc(F)cc1C(F)(F)F 358833972 CFXOZENZZRVTTB-UHFFFAOYSA-N 295.239 3.723 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCC[C@@H]3OCC[C@H]32)n1 613429491 LYBFUBMVBZVNCU-ZNMIVQPWSA-N 299.418 3.620 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCC(C)(F)F 615971243 DQYXTERRVKGKRB-UHFFFAOYSA-N 285.309 3.776 30 20 CHED Cc1ccncc1C(=O)Nc1ccccc1SCCC#N 358611531 WZNRGSXRQZBRPY-UHFFFAOYSA-N 297.383 3.648 30 20 CHED CCC[C@H](C)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 610592403 OBUXSGYAHRIIRL-USXIJHARSA-N 299.418 3.656 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccsc1 619787773 RNUYMUHFYLKIEB-LLVKDONJSA-N 285.372 3.811 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(C#N)cc1 269650213 IELZLNASNJKBHZ-CABCVRRESA-N 296.395 3.695 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 617788495 KDTILIJXDUWZAW-AWEZNQCLSA-N 269.388 3.604 30 20 CHED C=C(CC)CSCC(=O)N(C)[C@@H](C)c1ccccc1 539095706 SUVDGHOYJILBMF-AWEZNQCLSA-N 277.433 3.905 30 20 CHED C=CCOc1ccc(CC(=O)N2[C@@H](C)CC[C@@H]2CC)cc1 450376397 GPWNSBVAMXGJHO-HOCLYGCPSA-N 287.403 3.583 30 20 CHED C[C@H](N=c1ccc2ccc(F)cc2[nH]1)c1cccc(C#N)c1 610340444 WUBAHJKXEYPWJV-LBPRGKRZSA-N 291.329 3.841 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc3ccncc23)C1 617777377 NLMIICONQLCHRN-CQSZACIVSA-N 280.371 3.663 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(-c2ccccc2)no1 539441442 VMJMFGNPNHLMOM-ZDUSSCGKSA-N 284.359 3.816 30 20 CHED CC1(C#N)CCC(NC2(Cc3ccccc3)CC2)CC1 453200928 RKQFRICLGWPIGD-UHFFFAOYSA-N 268.404 3.824 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCc3cc(F)ccc32)C1 617778301 CMHVRPAAEDFJHS-GUYCJALGSA-N 287.378 3.670 30 20 CHED C=CC[C@H](C(=O)Nc1ccc2c(n1)CCC2)c1ccccc1 456636456 GXNCNFWKUIUDIS-INIZCTEOSA-N 292.382 3.869 30 20 CHED C=C(C)[C@@H](NC[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(F)c(F)c1 450781512 RWZHUBSFZGOBLN-BQGCOEIASA-N 293.357 3.739 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 617788348 HBMCWZBPVZUFGQ-CQSZACIVSA-N 275.417 3.593 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC(c2ccccc2)CC1 455364623 JRUHSXJAKYRISA-UHFFFAOYSA-N 286.419 3.788 30 20 CHED C=CCN(C(=O)Nc1ccc(CSC)cc1)C1CC1 271440144 BUCDNRRFCRNLIC-UHFFFAOYSA-N 276.405 3.732 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cn1 618802289 DHWYXVOSILLBAQ-APPDUMDISA-N 297.789 3.945 30 20 CHED C=CCC1(CN[C@H](CC)c2ccn(C)n2)CCCC1 453350086 FZRIKLXOOLTEFQ-CQSZACIVSA-N 261.413 3.597 30 20 CHED Cc1ccc([C@H]2CCCN2c2nccc(C)c2C#N)cc1 542279453 WZDVHCULDUOWNF-QGZVFWFLSA-N 277.371 3.912 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C(C)(C)C)on1 276285598 QRKWNIYHYLDESY-UHFFFAOYSA-N 291.395 3.517 30 20 CHED C=CCC1(C(=O)N[C@H]2c3ccc(F)cc3O[C@@H]2C)CCC1 360323855 IXEBCFWQNAINAG-IAQYHMDHSA-N 289.350 3.510 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](CC)C(F)F 455181400 VZHOWZMSCWSULM-AWEZNQCLSA-N 296.361 3.818 30 20 CHED C=CCN(C(=O)Nc1nc2ccsc2s1)C1CC1 271591210 TUVJEBGXSKIWEM-UHFFFAOYSA-N 279.390 3.540 30 20 CHED Cc1cc(C#N)cc(NCCCCOC(C)(C)C)c1 453152835 WHURLJNFWIPFBY-UHFFFAOYSA-N 260.381 3.874 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(C(=O)C3(C#N)CCCC3)C2)cc1 279046433 YAKXQKMAIBEISG-WBVHZDCISA-N 296.414 3.783 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](COc2ccccc2)C1 275990190 MTDLSZLXLPLDMU-YJBOKZPZSA-N 287.403 3.516 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1cccc(OC(C)C)c1 454267848 OSQIZECBUQACPV-CQSZACIVSA-N 290.407 3.800 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2cccc(Cl)c2C1 458982229 AGIXCPWEKDJOMJ-UHFFFAOYSA-N 292.810 3.620 30 20 CHED C=C(CC)CN[C@H](c1ccc2nc(O)oc2c1)C(C)C 453360806 MXPKQYIAZROYEO-HNNXBMFYSA-N 274.364 3.786 30 20 CHED N#CC1(CN2CCC[C@H]2Cc2ccc(F)cc2)CCC1 450281204 BBBGJEGBYHVRKJ-INIZCTEOSA-N 272.367 3.526 30 20 CHED C=CCC[C@H](N[C@H]1CCN(C(C)=O)c2ccccc21)C1CC1 362032410 LWSLELURJDLMIO-ROUUACIJSA-N 298.430 3.819 30 20 CHED C=CCC1(C(=O)N2CCSC[C@@H](C)C2)CCCCC1 451166119 FKLUCXCIJWCCAM-AWEZNQCLSA-N 281.465 3.725 30 20 CHED CC1=CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 270134773 KHLDHTOTIMSREU-UHFFFAOYSA-N 299.374 3.529 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CC(C)C)c1ccccc1OC 362380781 SALYALGVVJOERK-HIFRSBDPSA-N 290.407 3.656 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccn(C(C)C)c1C 620856410 XCFITCJDHLEFGQ-UHFFFAOYSA-N 262.397 3.852 30 20 CHED C=C(C)[C@H](CC(=O)Nc1nc2ccccc2s1)OCC 270163198 ZLQUDADQOSQEOY-LBPRGKRZSA-N 290.388 3.606 30 20 CHED N#CCc1ccc(C(=O)N(CC2CCCCC2)C2CC2)cc1 270286966 ODOITQJOHGFQKN-UHFFFAOYSA-N 296.414 3.938 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OC(C)C)c(C)c1 466560394 ZBHICHLGKQTABS-UHFFFAOYSA-N 276.380 3.822 30 20 CHED C=C1CCN(Cc2csc(C(F)(F)F)c2)CC1 628164348 NFBQMFKRUJXDEU-UHFFFAOYSA-N 261.312 3.919 30 20 CHED C=CCCCC(=O)Nc1cccc(CCN(C)C2CC2)c1 540431782 OKCGZDJGSNLKLY-UHFFFAOYSA-N 286.419 3.618 30 20 CHED COc1c(C)cnc(CSCCC(C)(C)C#N)c1C 276632630 QIPNNTOEPTXOMB-UHFFFAOYSA-N 278.421 3.880 30 20 CHED CC(C)[C@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 547708817 AWPZBARBAOCHHK-INIZCTEOSA-N 279.387 3.979 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC(C)(C)CCC#N 376522406 MANOMWLWIQJRDV-QWHCGFSZSA-N 290.432 3.606 30 20 CHED C=CCCc1noc([C@H](C)OCc2ccc(C)cc2)n1 624637604 RRACFOBMDHSORZ-ZDUSSCGKSA-N 272.348 3.774 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)Oc2ccccc21 467533374 VIWHTHVXMMATKB-CYBMUJFWSA-N 271.360 3.569 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 469741615 JQKRYUXARBGKCL-OWCLPIDISA-N 281.440 3.689 30 20 CHED CC(C)(C#N)CCCN1CCC(F)(c2cccnc2)CC1 375334112 BPAHDEPAWGGJLA-UHFFFAOYSA-N 289.398 3.672 30 20 CHED CC(C)n1cc(/C=C2/C[C@H](C)c3ccccc3C2=O)nn1 287346211 XFNMYZAQAIXGMB-VWLVURMCSA-N 281.359 3.633 30 20 CHED C=CCCN(C)C(=O)CCCCC(=O)c1ccc(C)cc1 467078238 GGMHJNXXTMFLGP-UHFFFAOYSA-N 287.403 3.773 30 20 CHED C=CCC[C@H](N[C@@H](C)c1ncc[nH]1)c1ccccc1 285930559 CXMHAPCFTUFWAC-ZFWWWQNUSA-N 255.365 3.768 30 20 CHED C=C(C)CCNc1cccc(C)c1C(=O)N1CCCC1 288659705 GGNQQQDZQYKBLS-UHFFFAOYSA-N 272.392 3.609 30 20 CHED C=CCC(CC=C)C(=O)N(CC)CCc1ccccc1 467821104 KPZKGLBBLPGOLQ-UHFFFAOYSA-N 271.404 3.846 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC(C)(C(C)C)CC1 466377061 BNACNPDHNMAQBF-CQSZACIVSA-N 266.429 3.809 30 20 CHED CCC(=O)c1ccccc1NC(=O)CCCCCC#N 637701650 MUDMNTLTZMRRNC-UHFFFAOYSA-N 272.348 3.692 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 558246802 FPACYHXFYCZYGV-TZMCWYRMSA-N 291.354 3.647 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC(C)C)c1ccccn1 280715532 FDBHGEOQKFJJLD-SZMVWBNQSA-N 288.435 3.740 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CCCC(F)(F)C2)s1 282305464 XJLYQTRHDIPIGQ-VIFPVBQESA-N 298.358 3.946 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 467009109 JKAKJDHZWQOJRC-NSHDSACASA-N 295.452 3.719 30 20 CHED C=CCC[C@H](C)N[C@H](Cn1ccccc1=O)c1ccccc1 282505649 OGJWOMDBFMJBQZ-FUHWJXTLSA-N 296.414 3.534 30 20 CHED C=C(C)CNC(=O)c1sc2cc(F)ccc2c1C 553642374 DCUMWVANDIKJOU-UHFFFAOYSA-N 263.337 3.655 30 20 CHED C=C(C)CN(C)C(=O)Nc1nc2c(F)c(F)ccc2s1 477620809 FJFQDMRIVQZQAF-UHFFFAOYSA-N 297.330 3.614 30 20 CHED CCC(=O)c1cccc(C#N)c1Oc1cc(C)nc(CC)n1 631472494 BKGYPXWFQQIOIN-UHFFFAOYSA-N 295.342 3.604 30 20 CHED C#CC[C@@H](NC/C(Cl)=C\Cl)c1ccccc1 381540126 HIKMGCOUFMOMBX-CNELAYHGSA-N 254.160 3.660 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(C(C2CCC2)C2CCC2)no1 556412637 MEQWFHDSQOOMEB-HWPZZCPQSA-N 271.364 3.555 30 20 CHED C=CCCCCCCNC(=O)c1cc(C)n(C(C)(C)C)n1 805221336 OTWAOGKGSUHMBY-UHFFFAOYSA-N 291.439 3.813 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 295553385 UDWDALCIXSRFNV-MRRJBJDNSA-N 273.376 3.617 30 20 CHED N#CCCCCCC(=O)Oc1ccccc1OC(F)F 805875331 UHUXJSDNAMAOIG-UHFFFAOYSA-N 283.274 3.667 30 20 CHED C#Cc1ccc(CN[C@@H](CC)c2c(C)noc2C)cc1 809629209 ICGADOXWECIAFL-INIZCTEOSA-N 268.360 3.514 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1cccs1)C2=O 809156179 DHUGUNFHUDQQQB-CLFYSBASSA-N 274.316 3.718 30 20 CHED CC[C@@H]1CCC1=NNc1ccc(Cl)c(C(=O)O)c1 807944331 XDKNGOICOJTDDB-MRVPVSSYSA-N 266.728 3.626 30 20 CHED CC(C)[C@@H](C#N)OC(=O)[C@@H](C)Cc1cncc2ccccc12 805873607 MPRACPPUFBPNGJ-SUMWQHHRSA-N 296.370 3.505 30 20 CHED CN(Cc1ccc(Cl)s1)[C@H]1CC[C@@H](C#N)C1 293661987 YUMQKUTXBXPNRJ-ZJUUUORDSA-N 254.786 3.526 30 20 CHED C#C[C@@H](NC(=O)Cc1cccc2ccccc12)C(C)(C)C 807884757 VYQSSRYSLXSJOC-QGZVFWFLSA-N 279.383 3.546 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)CC1CCCCC1)OCC 470497626 QLHBKMSGVCHXQV-ZBFHGGJFSA-N 281.440 3.833 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N[C@H](C#N)C(C)(C)C 566036268 ZUDJMNUBQJIFGQ-NWDGAFQWSA-N 252.402 3.503 30 20 CHED C=C(C)[C@H](NC[C@@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1 567989143 ZHCLOZCTXNBAIN-JQFCIGGWSA-N 295.373 3.723 30 20 CHED Cc1ccc(C(=O)Nc2cccc(F)c2Cl)cc1C#N 809194870 HYHDKEYXZPIEDY-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1ccccc1[C@@H](NCc1ccc(C#N)cn1)C(C)C 569135991 QYJLOLKUPQCTPO-SFHVURJKSA-N 279.387 3.749 30 20 CHED C=CCC(C)(C)C(=O)N1CCOC2(CCCCCC2)C1 477651507 IVIZVNUEDAGKHK-UHFFFAOYSA-N 279.424 3.541 30 20 CHED CCCCc1noc(COc2cc(Cl)ccc2C#N)n1 474355398 PBECTTOJBUYGST-UHFFFAOYSA-N 291.738 3.516 30 20 CHED CC[C@H]1CCC1=NNc1cccc(C(F)(F)F)n1 807972678 TYZXRHBHXBCWRT-QMMMGPOBSA-N 257.259 3.688 30 20 CHED C=C(C)[C@H](NC(=O)Cc1ccco1)c1ccc(F)c(F)c1 475667647 BVMHZQMOFZJHHE-INIZCTEOSA-N 291.297 3.534 30 20 CHED C=CCCCCCNC1(c2cccc(C#N)c2)CC1 560175661 UIVJQXWHBNGUNA-UHFFFAOYSA-N 254.377 3.883 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCCc1ccc(F)cc1Cl 569750329 BKUSKBOMSPFKRX-XJKSGUPXSA-N 297.801 3.592 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)s1)CCC2 563725844 RFKNPUWIRNCZKL-OAHLLOKOSA-N 296.395 3.736 30 20 CHED C=CCCC1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 565390106 ZOYWBLSGDYSYMR-UHFFFAOYSA-N 291.332 3.704 30 20 CHED COc1ccc([C@H](C)OC(=O)CCCCCC#N)cc1 805904074 VAZFFPSNDSXFED-ZDUSSCGKSA-N 275.348 3.773 30 20 CHED C#C[C@@H](NC(=O)Nc1cc(Cl)ccc1C)C(C)(C)C 808482623 UJNLBUCIKLQCRT-CYBMUJFWSA-N 278.783 3.818 30 20 CHED C=CCN(C(=O)Nc1ncsc1C(C)C)C(C)C 808912898 CETAHLURNJFUEV-UHFFFAOYSA-N 267.398 3.695 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 482290935 FWDNJNIWUOCWNM-PWSUYJOCSA-N 292.345 3.761 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)c1ccc(Cl)cc1 649571289 FTDZZXAQNGYURZ-GFCCVEGCSA-N 263.768 3.644 30 20 CHED CC(=NNc1ncncc1Cl)c1nccc2ccccc12 811648499 LPUKSJTWUQABJU-UHFFFAOYSA-N 297.749 3.514 30 20 CHED c1ccc(C[C@@H]2CCC(=NNC[C@@H]3CCSC3)C2)cc1 814934902 DVCKYSKDSFSDPX-HOTGVXAUSA-N 288.460 3.728 30 20 CHED C=C(CC)CN[C@H](CO)c1c(Cl)cccc1Cl 483234690 MKPLZWGWLDFNFS-GFCCVEGCSA-N 274.191 3.583 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(-n2cccc2)cc1 488864686 YYAMHJGRPWEERE-MRXNPFEDSA-N 280.371 3.658 30 20 CHED c1ccc(C2CC(=NNc3nncc4ccccc34)C2)cc1 814706389 YZFXZCNLIHXHLS-UHFFFAOYSA-N 288.354 3.975 30 20 CHED N#Cc1ccc(C(=O)NC[C@H]2CCCCC(F)(F)C2)s1 560956570 BJFATTCRYDJCOU-JTQLQIEISA-N 298.358 3.565 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1cccc2ccccc12 565909624 MRVMUXWDBMSUER-CQSZACIVSA-N 287.366 3.957 30 20 CHED CC(=NOC1CCCC1)[C@@H](C)CCCCC(=O)O 814894085 IWAFYRWCMLEGCO-NSHDSACASA-N 255.358 3.603 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(Cl)cc1OCC 815792011 JUZUCJBGGRAGMY-UHFFFAOYSA-N 289.709 3.889 30 20 CHED N#C[C@H]1CCCC(=NNc2nc3ccccc3s2)C1 814686409 DMGHFRXMBLJMKA-JTQLQIEISA-N 270.361 3.778 30 20 CHED COc1cccc(O)c1/C=N\Cc1nc2ccccc2s1 812396224 NFXFDBCSMKZPTR-MFOYZWKCSA-N 298.367 3.630 30 20 CHED C=CCCN[C@H]1CCCc2ncc(C(F)(F)F)cc21 658115443 VTBUYCQUPPEOFT-LBPRGKRZSA-N 270.298 3.644 30 20 CHED N#Cc1cccc(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)n1 480777187 FIXQZEYWCPHJKJ-HIFRSBDPSA-N 281.334 3.841 30 20 CHED C=CCCCCOC(=O)CCC(=O)c1ccc(Cl)cn1 811012379 JBTOGKSDTYQTCV-UHFFFAOYSA-N 295.766 3.597 30 20 CHED Cn1cc(/C=C/C(=O)c2ccccc2Cl)c(C(F)F)n1 812239767 DLDYJWVTZKEVSJ-VOTSOKGWSA-N 296.704 3.907 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C2CC2)cc1 652818054 WBQWZNLGQCTVJJ-UHFFFAOYSA-N 258.365 3.898 30 20 CHED C=CCCN[C@H](C)c1ccc(Br)c(F)c1 658117003 PZSGRMUZMBPLLZ-SECBINFHSA-N 272.161 3.815 30 20 CHED C#Cc1ccc(C(=O)N(C(C)C)[C@H](C)c2ccsc2)cn1 817485046 HJBCTTZZHXYSLF-CYBMUJFWSA-N 298.411 3.736 30 20 CHED C=C(CC)CNCc1cn(-c2cccc(C)c2)nc1C 651825291 KJTYRVAYGXLOAT-UHFFFAOYSA-N 269.392 3.545 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)[C@H](C)CCCCC(=O)O 814815178 PFVUTHYTVJXFET-HIFRSBDPSA-N 290.407 3.994 30 20 CHED N#Cc1ccc(=N[C@H]2CCC[C@H](c3ccccc3)C2)[nH]c1 487143959 XTECZTXKKHRUMD-IRXDYDNUSA-N 277.371 3.513 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc2c1ccn2C 574073880 QTESGIVUJRNWOB-UHFFFAOYSA-N 256.349 3.719 30 20 CHED Fc1cc(F)cc(C2CC(=NOCc3cccnc3)C2)c1 814883846 DDTYIJOTHCSBAE-UHFFFAOYSA-N 288.297 3.810 30 20 CHED C[C@@H](CCc1ccco1)NCc1ccc(O[C@@H](C)C#N)cc1 728713274 WSQKVEWPROUXLO-GJZGRUSLSA-N 298.386 3.681 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CCC(C)C)C(C)(C)C 578814726 NLQBLKPNCDHUNT-CABCVRRESA-N 255.446 3.612 30 20 CHED C=CCC1(C(=O)N2CCc3ccccc3CC2)CCCC1 574268190 HVYRRIUVKOJVEQ-UHFFFAOYSA-N 283.415 3.750 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 486782480 VIWCHLKFFPCPDT-CYBMUJFWSA-N 289.766 3.784 30 20 CHED COc1ccc(C)cc1CSc1snc(C)c1C#N 579164489 PPDHXZOOJTZFJM-UHFFFAOYSA-N 290.413 3.933 30 20 CHED C#Cc1ccc(C(=O)N(c2ccc(Cl)cc2)C(C)C)cn1 728822124 MUPBNDGKGLFNRR-UHFFFAOYSA-N 298.773 3.772 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)CCc2ccco2)c1 726445662 XIPOGXJMOGFFNL-CYBMUJFWSA-N 298.411 3.569 30 20 CHED CN(CCC#N)c1ccc(CNC[C@H]2C[C@H]3CC[C@H]2C3)cc1 725852263 KAOOSDNDVQHKRH-OKZBNKHCSA-N 297.446 3.562 30 20 CHED N#CCOc1ccc(COc2ccc(F)cc2Cl)cc1 729241085 IKESWYPOYZLTDT-UHFFFAOYSA-N 291.709 3.960 30 20 CHED CC(C)CC[C@H]1CC[C@H](NCc2ccc(C#N)cn2)C1 824230763 BFKJUHKWSLKKSB-HOCLYGCPSA-N 271.408 3.648 30 20 CHED CC#CCCNC(=O)Nc1cc(Cl)ccc1OCCC 497677347 NQDWTYJRYCFACJ-UHFFFAOYSA-N 294.782 3.664 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cnc2ccccc2n1 727256657 SLQLQILNVBIDIK-UHFFFAOYSA-N 288.354 3.701 30 20 CHED CC(C)C#CC(=O)N1CCC[C@H]1c1ccccc1Cl 822835261 JPCCJWQCTPRSMY-HNNXBMFYSA-N 275.779 3.663 30 20 CHED COc1cc(OC)c(NC2CCC(C)(C#N)CC2)cc1F 823554068 GRNIRUAMWJASND-UHFFFAOYSA-N 292.354 3.727 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1cc(Cl)ccc1C#N 903794761 DKFGLGWISDCKCR-NSHDSACASA-N 276.767 3.777 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)OCCCCC#N 820069525 ZHYPPRZLVLODEG-HNNXBMFYSA-N 273.376 3.801 30 20 CHED C=CCC1(C(=O)OC[C@@H](C)c2ccccn2)CCCC1 821519837 BHROXOOSCLJUCL-CQSZACIVSA-N 273.376 3.865 30 20 CHED C=C(CNCc1cccc2[nH]ccc12)c1ccccc1 589646465 XMDBLMSKDOXERQ-UHFFFAOYSA-N 262.356 3.971 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 661376901 GKFYFMFEHUAZPV-CQSZACIVSA-N 283.375 3.525 30 20 CHED CC1(C)CCC(=NNC(=S)Nc2ccccc2)CC1 735970409 DVUCZAWSKPXLFS-UHFFFAOYSA-N 275.421 3.929 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCC[C@H](C)C1 580614521 LIPWIMBHXXXOQU-GOEBONIOSA-N 299.418 3.774 30 20 CHED CC1(C)CCC(=NNC(=S)NCc2ccccc2)CC1 735971016 UXKNPKHWUJIPFN-UHFFFAOYSA-N 289.448 3.607 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc(CC)s1 494669286 BLTJKWWVVUMIBT-GFCCVEGCSA-N 278.421 3.561 30 20 CHED N#CCCCCCC(=O)Nc1cc(F)ccc1Cl 588753249 GCYMJQADOLIHJO-UHFFFAOYSA-N 268.719 3.892 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)sc1-n1cccc1 666259886 UVKJGHYJAYELTJ-UHFFFAOYSA-N 288.416 3.885 30 20 CHED C/C=C\COc1ccc(CC[C@H](C)NCC2(C#N)CC2)cc1 583418197 VAZYCWUXCKKBON-QGZUEGPWSA-N 298.430 3.856 30 20 CHED C=CCC[C@H](N[C@@H](CC)Cc1ccc(Cl)cc1)C(=O)O 901689951 JZLWMPSKVNBZDR-GJZGRUSLSA-N 295.810 3.670 30 20 CHED C=CCN(C(=O)Nc1ccc(C)cc1Cl)[C@@H](C)COC 665141680 FAUOWRDVKMXTJP-LBPRGKRZSA-N 296.798 3.703 30 20 CHED Cc1ccc(/C=C2/COc3ccccc3C2=O)cc1F 731488234 ADVBLCDORBGUKS-JYRVWZFOSA-N 268.287 3.793 30 20 CHED N#CCCCCCC(=O)Nc1ccc(C#N)c(Cl)c1 588817282 YNCPKRBYOXNRBQ-UHFFFAOYSA-N 275.739 3.624 30 20 CHED C[C@@](C#N)(NC(=O)c1cccc2cc[nH]c12)C1CCCCC1 582479065 KNTPEVQKLRQQBK-SFHVURJKSA-N 295.386 3.760 30 20 CHED O=C(C#CC1CC1)Nc1ccc2nc(C3CC3)sc2c1 837377110 NPTDXLFKURBIEJ-UHFFFAOYSA-N 282.368 3.526 30 20 CHED CC/C(C)=C\C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 835041722 ZWCWVFAZYHJORU-FPAJZGIOSA-N 294.354 3.724 30 20 CHED Cc1ncsc1/C=C\C(=O)c1ccc(O)c(Cl)c1 588480328 DIBFQYYXHZOHOY-PLNGDYQASA-N 279.748 3.707 30 20 CHED C#CCOc1ccc(NC(=O)N[C@@H](C)CCCCC)cc1 731113568 FEGRDMVJQSRKQY-AWEZNQCLSA-N 288.391 3.789 30 20 CHED CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NOC(C)C 835000787 QXKVADNNYKXXMX-ZDUSSCGKSA-N 284.400 3.577 30 20 CHED CN(CCc1ccccc1F)Cc1ccc(C#N)cc1F 731671813 UXEARUBCYHODHE-UHFFFAOYSA-N 286.325 3.511 30 20 CHED Clc1nccnc1NN=C1CC[C@H]2CCCC[C@@H]2C1 733079538 MHAAUTZYKYONLA-GHMZBOCLSA-N 278.787 3.888 30 20 CHED CCOCc1ccccc1C/N=C/c1c(O)cccc1OC 914599638 JMKCIQKHKDMGCM-XDHOZWIPSA-N 299.370 3.556 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)c2cc(C#N)ccc2F)C1 830100540 ZXHUTPFLXTTYOJ-CQSZACIVSA-N 288.366 3.596 30 20 CHED Cc1ccc(-c2cccnc2OCC2CC2)c(C#N)c1 596631423 RDGCQEAXUXQKMC-UHFFFAOYSA-N 264.328 3.718 30 20 CHED C#CCCCCC(=O)O[C@@H](C)CCCc1cccnc1 835935406 SLPFLPCKCVHVEB-HNNXBMFYSA-N 273.376 3.530 30 20 CHED N#CC1(CSCc2cnc(-c3ccccc3)nc2)CC1 596405003 FYACYYGZTPAVNE-UHFFFAOYSA-N 281.384 3.681 30 20 CHED CCCc1nsc(Sc2cccc(F)c2C#N)n1 596305398 IZSONVBDKRHTTR-UHFFFAOYSA-N 279.365 3.653 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 594090267 SWEURKKFQMBCBQ-KURKYZTESA-N 292.382 3.704 30 20 CHED CC[C@@H](CNCCc1ccc(C#N)cc1)c1ccccc1 594954487 GNBIETFPGMXBHI-SFHVURJKSA-N 278.399 3.884 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C#CC(C)(C)C 837457669 JIWWLMZQLODIKB-YVEFUNNKSA-N 287.378 3.615 30 20 CHED CC(C)CN(C(=O)/C=C\c1ccccc1C#N)C1CCCC1 914516808 DVKGCPRAWNJQQE-QXMHVHEDSA-N 296.414 3.999 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-c2ccco2)s1 675800089 FSMFTYDYSKMHBY-SNVBAGLBSA-N 261.346 3.703 30 20 CHED CC(C)[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597909863 QTPCEBMOIDLOFV-NVXWUHKLSA-N 284.403 3.578 30 20 CHED Cc1cc(/C=C2/Oc3ccc(F)cc3C2=O)cc(C)c1O 749747238 WBUYORASAOXTHS-VIZOYTHASA-N 284.286 3.764 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(C)cc1C 596450600 JMDKCHHKYSZVIH-UHFFFAOYSA-N 278.421 3.734 30 20 CHED CCc1cccc2cc(CN(C)[C@@H](C)CC#N)oc12 596994484 ATKRLEOJZDHNHX-LBPRGKRZSA-N 256.349 3.729 30 20 CHED N#Cc1ccc(CCN2CC[C@@H]2c2ccccc2)cc1 595343337 YGYZDPVABRUAHW-GOSISDBHSA-N 262.356 3.548 30 20 CHED C=CCCCC(=O)OCC(=O)c1ccc(OC(C)C)cc1 748235339 MGFJYSHQRGXUCD-UHFFFAOYSA-N 290.359 3.556 30 20 CHED C=C(CNC(=N)Nc1cc(C)cc(C)c1)c1ccccc1 849077981 RKNXEOOLWUXJKQ-UHFFFAOYSA-N 279.387 3.953 30 20 CHED O=C(O)c1ccc(NN=Cc2cccc3ccccc23)cc1 916240949 XWOMVPSFGVIADA-UHFFFAOYSA-N 290.322 3.984 30 20 CHED FC(F)Oc1cccc(C=NNc2ncccc2Cl)c1 747047881 KFZVWRIAIYVNPC-UHFFFAOYSA-N 297.692 3.782 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@@H]2c2ccccc2C)n1 596085062 HFANYBROFJJZEJ-MRXNPFEDSA-N 292.386 3.561 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@@H](c1ccccc1)C(C)C 594094933 QXFOXAMHJSGWSO-HZPDHXFCSA-N 272.392 3.577 30 20 CHED Cc1ccccc1OCC(=O)O[C@@H](C)c1ccc(C#N)cc1 748680807 UJUMLRFFWDVLQN-AWEZNQCLSA-N 295.338 3.550 30 20 CHED CCO[C@H](CC)c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 596621493 MFKSOTYSPLQGLA-RRFJBIMHSA-N 297.358 3.700 30 20 CHED CC(C)(C)c1ccc(CC(=O)N2CCC[C@H](CC#N)C2)cc1 597907521 CIZNYZQUZNTPMJ-MRXNPFEDSA-N 298.430 3.679 30 20 CHED Cc1cccc(NC(=O)CC2(C#N)CCCCC2)c1O 597442731 YNGXZAZGXOIFCQ-UHFFFAOYSA-N 272.348 3.503 30 20 CHED C=CCOC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744042011 BGUPSSBVXSKCCQ-NEPJUHHUSA-N 271.143 3.826 30 20 CHED C[C@H]1C[C@H](C(=O)Oc2cccc(OCC#N)c2)CC[C@H]1C 841344057 NWSIVPFESUGJKO-HZSPNIEDSA-N 287.359 3.567 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(OC(CC)CC)cc1 590665268 XSXQICRAPIFFBI-AWEZNQCLSA-N 288.391 3.676 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2nc3ccccc3n2C)o1 915967154 DAPQLMCHMMBSLY-DGCLKSJQSA-N 294.358 3.736 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 593598473 KVQMHUFFMQSKAI-SECBINFHSA-N 296.317 3.630 30 20 CHED CC#CCOC(=O)c1cc(C(C)C)nc2ccccc12 744584945 OXRRSZSPQVDVAC-UHFFFAOYSA-N 267.328 3.538 30 20 CHED CC(C)CC1(CNC(=O)CC2(C#N)CCCCC2)CC1 597372141 PXSGHJDAHANCET-UHFFFAOYSA-N 276.424 3.793 30 20 CHED CC(=NOCc1cccnc1)c1nc2ccccc2s1 746587854 SLDMWBMFCMMDED-UHFFFAOYSA-N 283.356 3.632 30 20 CHED Cc1[nH]c2ccc(C(=O)OCC3(CC#N)CC3)cc2c1C 744277545 RDHHWHGXTGMCKU-UHFFFAOYSA-N 282.343 3.635 30 20 CHED COCCON=C(C)c1ccc(Oc2ccccc2)cc1 748791552 JPCCYIPZLSOVPT-UHFFFAOYSA-N 285.343 3.866 30 20 CHED Cc1cc(N2CCC[C@@H](CC#N)C2)c2ccccc2n1 596329870 HVDKJDMTJOVNBS-AWEZNQCLSA-N 265.360 3.673 30 20 CHED CCCCCCCCOCC(=O)Nc1cccnc1F 843689547 GTOFMPGTDYCWRX-UHFFFAOYSA-N 282.359 3.536 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@H]2CCCC2(F)F)c1 840710609 TUDCUUAHDOLSMO-KBSHCFNASA-N 283.318 3.645 30 20 CHED C#Cc1cccc(NC(=S)N2C[C@@H](C)CCC[C@@H]2C)c1 741492549 ANQMATUEQCJSSM-KBPBESRZSA-N 286.444 3.875 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCOc2c(F)cccc21 926112154 NASMPSSENMXYNB-SWLSCSKDSA-N 290.382 3.957 30 20 CHED CC1=C(C)C[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)CC1 842676859 OITFNYZWRSDLSW-UONOGXRCSA-N 293.370 3.876 30 20 CHED C=CCCOC(=O)c1cccnc1Nc1ccccc1OC 740175741 HHAXZSXBRGGETC-UHFFFAOYSA-N 298.342 3.567 30 20 CHED CC1CCC(=CC(=O)Nc2nc(Cl)c(C#N)s2)CC1 841225719 WOIKOSSNNQUVSL-UHFFFAOYSA-N 295.795 3.743 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC2(CC1)OCc1ccccc12 682361180 NKZOWHISCACNJN-GOSISDBHSA-N 299.414 3.637 30 20 CHED C=C[C@H](CC)CC(=O)N(CC)Cc1cccs1 929392845 QVNOJERBMZFCMP-GFCCVEGCSA-N 251.395 3.699 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCCN(c2ccccc2)C1 926322976 USIDNQPHGWAPMR-SJORKVTESA-N 299.462 3.821 30 20 CHED Cc1ccccc1CCCON=CC(=O)Nc1ccccc1 759762939 ZHXQHOMPKFXPRR-UHFFFAOYSA-N 296.370 3.569 30 20 CHED C=CCN(CC=C)C(=O)/C(C)=C\c1ccccc1Cl 755380141 RQJCYEBAPPWLNY-SEYXRHQNSA-N 275.779 3.944 30 20 CHED CCCn1nccc1/C=C1\CSc2ccccc2C1=O 853001885 BTGMQIMGUQSJBI-ZRDIBKRKSA-N 284.384 3.665 30 20 CHED COc1cccc(C=NNc2cc(C)ccc2F)c1 759668161 ZNPWMPCUVBCPPK-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=CC[C@@H](C(=O)NC[C@H](C)C1CC1)c1ccccc1 681653892 IPVZBNKXUFRELP-XJKSGUPXSA-N 257.377 3.509 30 20 CHED Cc1oc(C(C)C)nc1C(=O)O[C@H](C)CC(C)(C)C#N 851203882 GWNZTAHXHULYFG-SNVBAGLBSA-N 278.352 3.592 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](C)c1cccc(Cl)c1Cl 753148034 FHRLXLZZIXWJIH-NXEZZACHSA-N 299.201 3.765 30 20 CHED FC(F)(F)C(=NOCc1cccnc1)c1ccccc1 751954319 IIXGMDISCTYEQL-UHFFFAOYSA-N 280.249 3.565 30 20 CHED CC(C)C[C@@H](C)OC(=O)/C=C\c1ccccc1C#N 920127673 AUWXOYFTFUBYPD-LJTDUEICSA-N 257.333 3.549 30 20 CHED CCCc1ccc(/C=C/C(=O)c2cc(C)on2)s1 857202709 RKGMCECXDCEPJG-BQYQJAHWSA-N 261.346 3.893 30 20 CHED Cc1ccc(C)c(NN=Cc2nc3ccccc3n2C)c1 755565330 NOHALKJLAFOXHY-UHFFFAOYSA-N 278.359 3.636 30 20 CHED Cc1cc(COC(=O)c2ccc(C(C)(C)C#N)cc2)ccn1 856935035 MOJXCZPHLHWRPT-UHFFFAOYSA-N 294.354 3.548 30 20 CHED C#C[C@@](C)(CC)NC[C@@H](OC(C)C)c1ccccc1 852103466 IPMFMXIVUGQABH-SJORKVTESA-N 259.393 3.544 30 20 CHED Cc1cc(C)cc(NN=Cc2nc3ccccc3n2C)c1 755563863 GWNCGXYYGFFCEX-UHFFFAOYSA-N 278.359 3.636 30 20 CHED Fc1ccc(-c2[nH]ncc2C=NNc2cccc(F)c2)cc1 920386341 YAZFVZZUWBNKRR-UHFFFAOYSA-N 298.296 3.801 30 20 CHED C#C[C@@H](CC)NC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 754374803 RAVLPAFUVAHZGJ-CGBFIWBNSA-N 295.426 3.564 30 20 CHED C#CCCCC(=O)N1c2ccccc2C(C)(C)[C@@H]1C 855906694 QIJFFIZBMVNPIX-ZDUSSCGKSA-N 255.361 3.503 30 20 CHED COc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1OC(F)F 850562986 ZAVSWPSVQLKPSS-MNOVXSKESA-N 296.317 3.791 30 20 CHED O=C(O)c1ccccc1NN=C[C@@H]1C[C@H]1c1ccccc1 755601472 OMDBJJGUQPOWPG-ZFWWWQNUSA-N 280.327 3.586 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnc(Cl)c(C)c1 758506316 XBHVHKWMQZCZBL-UHFFFAOYSA-N 264.756 3.750 30 20 CHED CC(=NO[C@H]1CCCCO1)c1coc2ccccc12 755813286 DLJHSXVBBSOLDI-HNNXBMFYSA-N 259.305 3.700 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 934739535 RVZHVXYIZOZPPA-OLZOCXBDSA-N 299.374 3.516 30 20 CHED C=CCC[C@@H](CC)NC[C@](C)(O)c1cccc(Cl)c1 765684663 RWMWQZFHZHKMMG-CVEARBPZSA-N 281.827 3.882 30 20 CHED CC(C)N(Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccco1 768250588 WBDJHBMBNLLZPT-OAHLLOKOSA-N 298.386 3.981 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1ncc(C(C)(C)C)o1 767668226 XHRUGLPBEFNGCS-GFCCVEGCSA-N 277.364 3.770 30 20 CHED CC(C)(C)OC(=O)N[C@@H]1CCC(=NNc2ccccc2)C1 863064716 OYDIHINWEAEIDK-CYBMUJFWSA-N 289.379 3.532 30 20 CHED C#CCCCCCC(=O)N[C@H]([C@H](C)CC)C(F)(F)F 767100778 ANOLMJVFSFTTDR-DGCLKSJQSA-N 277.330 3.663 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cc(C)cc(C)c1C 860458834 KCBCVPMYCOFFBS-UHFFFAOYSA-N 259.349 3.847 30 20 CHED C=CCCC(=O)COC(=O)/C=C(/C)c1cccc(Cl)c1 761410662 LWIHUMXUQJENPX-XFXZXTDPSA-N 292.762 3.822 30 20 CHED C=CCCSCCOc1ccc(/C=C/C(=O)OC)cc1 767865563 HANALXKSYRZUGI-JXMROGBWSA-N 292.400 3.561 30 20 CHED C#C[C@H](OC(=O)CC[C@@H]1CCCCO1)c1ccc(C)cc1 860964155 KPBHFWGYJIBIOY-IRXDYDNUSA-N 286.371 3.562 30 20 CHED C/C=C\COC(=O)c1cn(CCCC#N)c2ccccc12 769543320 JKYNHPVOKNARAV-IHWYPQMZSA-N 282.343 3.678 30 20 CHED C#Cc1cccc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 766447448 QXXSQLXVJDXQCN-OXJNMPFZSA-N 290.410 3.915 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NNCC(F)(F)F 769815904 UQVYCICADWWGDG-UHFFFAOYSA-N 276.277 3.532 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(F)c2F)s1 762441642 AMWTYCAGUDZZJU-XQRVVYSFSA-N 275.279 3.794 30 20 CHED N#Cc1ccc(OC(=O)c2cc3cccc(F)c3o2)c(F)c1 769740989 YCHRSTVVGFMHAZ-UHFFFAOYSA-N 299.232 3.802 30 20 CHED CC(C)=CCOc1cccc(C(=O)OCC2(C#N)CCC2)c1 768078975 OFUUGYMAOJIQKM-UHFFFAOYSA-N 299.370 3.882 30 20 CHED C#CCCCNc1cc(Cl)ccc1OCCOCC 766729456 PUPQIPCRLRSLSX-UHFFFAOYSA-N 281.783 3.581 30 20 CHED C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccco1 764799786 JKQNXSVTVFNVIP-LBPRGKRZSA-N 299.326 3.613 30 20 CHED CCCCCCCCN1CCCN(CC(F)F)CC1 767119677 OKAQHQHLAZQLTH-UHFFFAOYSA-N 276.415 3.620 30 20 CHED C#CCCc1noc([C@@H](C)Oc2ccc(Cl)cc2C)n1 762017618 IQKATFMIMNWADD-LLVKDONJSA-N 290.750 3.737 30 20 CHED N#Cc1ccc(C=NNc2c(F)cccc2Cl)s1 769827898 AISFVHIPAZHRNF-UHFFFAOYSA-N 279.727 3.858 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1cnccc1C 771557382 DOOYRUHGJMENBZ-UHFFFAOYSA-N 273.767 3.557 30 20 CHED CC(=NOC1CCCCC1)c1ccc2c(c1)COC2 777458373 DQGVHAXXKCCUMK-UHFFFAOYSA-N 259.349 3.790 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(C)cc1O 777906639 DESIRSIXGUDKEO-UHFFFAOYSA-N 275.739 3.585 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C(F)F)cc1 885580893 GUIRKYFKBYGGJU-UHFFFAOYSA-N 269.291 3.546 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1cc(F)c(F)c(F)c1 879399209 IWYUFZRTXNXLEH-UHFFFAOYSA-N 285.309 3.665 30 20 CHED CC[C@@H](NCc1cccc(OCC#N)c1)[C@@H]1CC1(C)C 1119293087 OCZUOVYZANHZTL-JKSUJKDBSA-N 272.392 3.503 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NN[C@@H]1CCSC1 872374481 YIDLWMLHRDBHSX-CQSZACIVSA-N 287.432 3.572 30 20 CHED CC(C)(C)ON=C1CCc2sc(Br)cc21 1117742819 WSBWKZXWDISMOZ-UHFFFAOYSA-N 288.210 3.976 30 20 CHED C#CCCCCCC(=O)N1CCCc2cc(OC)ccc2C1 779901329 IPMKVQSCJFAFDB-UHFFFAOYSA-N 299.414 3.554 30 20 CHED CC(CCOCc1ccccc1)=NO[C@H]1CCCCO1 872360476 MWIIXWUWHHUCDC-INIZCTEOSA-N 277.364 3.512 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C(=O)OC)c1cc(F)ccc1F 779178353 JIXMOZHWTCAVAZ-IUODEOHRSA-N 297.345 3.513 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)c1cccc(F)c1F 779950203 JHXHCHKCGXNPAX-LBPRGKRZSA-N 279.330 3.726 30 20 CHED CC(C)(C)OC(=O)NCCC=NNc1ccc(Cl)cc1 771871844 KRKLAMSZUINESC-UHFFFAOYSA-N 297.786 3.653 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)[C@H](C)c1ccccc1 779928434 FMQOPJPIVZGWRM-HOTGVXAUSA-N 271.404 3.879 30 20 CHED C=CC[C@H]1N(C(=O)Nc2cccc(F)n2)CCCC1(C)C 770741472 VXNXHIUWNDNOLA-GFCCVEGCSA-N 291.370 3.819 30 20 CHED Cc1cc(F)ccc1C=NNc1cc(Cl)ccn1 777906814 HFQNWQYWKVIKES-UHFFFAOYSA-N 263.703 3.629 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)c(F)c1 772804408 XAIMKCICRQNTKB-ARJAWSKDSA-N 287.240 3.872 30 20 CHED C#CCCCCN[C@H](Cc1ccc(F)cc1)C(C)C 773034610 DTGJJQCZWQREOF-QGZVFWFLSA-N 261.384 3.786 30 20 CHED CC(C)c1cccc(-c2ccc(C(=O)OCC#N)o2)c1 776464273 MTPVPRDQJXCXBL-UHFFFAOYSA-N 269.300 3.750 30 20 CHED C#CC[C@@H](OC(=O)[C@@H](C)c1ccccc1C)c1ccccn1 1122695219 TZWYFIWZKCXCES-MAUKXSAKSA-N 293.366 3.801 30 20 CHED C=C1CCC(C(=O)OCc2csc(Cl)n2)CC1 885650093 VNWYHVHOZFMUFC-UHFFFAOYSA-N 271.769 3.586 30 20 CHED C#CCC1(C(=O)Nc2ccc(Cl)cn2)CCCCC1 788427224 FDENICBEFKSQHO-UHFFFAOYSA-N 276.767 3.647 30 20 CHED C=CC(C)(C)CC(=O)N(CC)c1ccc(OC)cc1 887957357 WARAJTIRDSIYTF-UHFFFAOYSA-N 261.365 3.650 30 20 CHED C#CCCCCCC(=O)OCC(=O)c1ccc(C)c(C)c1 780255694 WGOJVQDESHRHAV-UHFFFAOYSA-N 286.371 3.613 30 20 CHED C=C(C)CNC(=S)NC1(c2ccc(Cl)cc2)CCC1 789343490 OYPCBHGGWBDCHF-UHFFFAOYSA-N 294.851 3.759 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C(\C)c1ccccc1OC 785858314 ZYYGZZDLHKXHJW-SZGUKTLCSA-N 285.387 3.666 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc2cc(O)ccc2c1 781129820 LOIDYFWRIKLFEO-UHFFFAOYSA-N 295.317 3.916 30 20 CHED Cc1ccc(NC(=O)c2csc(C#N)c2)c2cccnc12 1124779987 QQGRXBRBBXVGTH-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=CCN(Cc1ccccc1F)Cc1cnn(C)c1C1CC1 891782523 SYYAUMKYZQRFBQ-UHFFFAOYSA-N 299.393 3.625 30 20 CHED C=C1CC(c2noc(-c3cc(Br)co3)n2)C1 896874028 JEHMLOWWXMVCSR-UHFFFAOYSA-N 281.109 3.526 30 20 CHED Cc1ccc(-c2ccc(C(=O)O[C@@H](C)CC#N)s2)o1 781803242 BDHMNOFOMNGQMB-JTQLQIEISA-N 275.329 3.776 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 890030806 LLRJIXAOEOMEJH-CQSZACIVSA-N 286.419 3.676 30 20 CHED CSc1ccc(CN(C)Cc2ccc(C#N)cc2)o1 893930971 KXYDTQOAERUHRH-UHFFFAOYSA-N 272.373 3.505 30 20 CHED CC(=NNCc1ccc(C#N)cc1)C1CCC(F)(F)CC1 788719738 FHHTXQUTDQVIGK-UHFFFAOYSA-N 291.345 3.849 30 20 CHED CC(C)(CF)NC(=O)c1ccccc1-c1ccccc1C#N 1132117679 LPXPZQKZQUPORJ-UHFFFAOYSA-N 296.345 3.703 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)CCc2c(O)cccc21 899360713 OFWJUYIYTIWVPP-LCYFTJDESA-N 294.354 3.526 30 20 CHED Cc1cc(F)ccc1NN=C1CCc2cc(O)ccc21 780237478 QGEUBARPEHKZIX-UHFFFAOYSA-N 270.307 3.602 30 20 CHED C=C1CC(c2noc(CCc3ccccc3C)n2)C1 896883579 FHEVIGKNMQKUAH-UHFFFAOYSA-N 254.333 3.597 30 20 CHED Cc1nc2scc(C)n2c1C=NN[C@H]1CCCC1(C)C 782289333 URQPFEWRENCFKC-ZDUSSCGKSA-N 290.436 3.515 30 20 CHED N#Cc1ccc(CCN2CCCCCCCC2)cc1 1208928730 HKLVEUKAAQLRFX-UHFFFAOYSA-N 256.393 3.757 30 20 CHED C=C1CC(c2noc(Cc3c[nH]c4ccccc34)n2)C1 896890643 MERWCHQKBNWIRY-UHFFFAOYSA-N 265.316 3.575 30 20 CHED Cc1cccc(CCC(=O)OCc2ccccc2C#N)c1 792740995 GBPLMPJYGFDATR-UHFFFAOYSA-N 279.339 3.543 30 20 CHED C=CCOc1cccc(CN[C@H](c2ccncc2)C2CC2)c1 898325941 RQUKDAKMPKHREH-IBGZPJMESA-N 294.398 3.887 30 20 CHED Clc1sccc1C=NNc1ncnc2ccsc12 790172165 LEUVNBDNDXOZFN-UHFFFAOYSA-N 294.792 3.852 30 20 CHED CC[C@@H](C)CON=C(C)c1nc2ccccc2n1CC 793158432 GAJDWOVGKYCBPP-GFCCVEGCSA-N 273.380 3.843 30 20 CHED C#CCCCCNCc1ccc(N(C)C)cc1C(F)(F)F 793011775 XFFYIACZNPMAPB-UHFFFAOYSA-N 298.352 3.665 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(-c2ccco2)on1 796454265 CBNGXYPLARPTJD-UHFFFAOYSA-N 275.304 3.580 30 20 CHED C[C@@]1(C=NNc2cccc3cnccc23)CCCS1 792999755 OALCORHVUZCTMG-HNNXBMFYSA-N 271.389 3.918 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C=C(CC)CC 797168192 UFNMTXUGYDFRHB-UHFFFAOYSA-N 271.364 3.675 30 20 CHED COc1ccc(C=NOCc2ccccc2OC)cc1C 799116723 AFAFXCFGIMWQJI-UHFFFAOYSA-N 285.343 3.563 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccnn1C(C)C 794939720 SXZVLCBXHMUCMT-VURMDHGXSA-N 284.359 3.677 30 20 CHED Cc1cnc(OC(C)C)c(NCc2ccc(C#N)cc2)c1 1202529302 WIQWLGDSUSWNHT-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC(C)(C)CCOC(=O)C(C)(C)c1cc(F)cc(C#N)c1 797084526 XSXBYKLIOPKTIB-UHFFFAOYSA-N 291.366 3.954 30 20 CHED C=C(Cl)COC(=O)CCSCc1ccccc1 795845615 RXFGKTKZFUYPBG-UHFFFAOYSA-N 270.781 3.606 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1CCCN(CC)C1 793526202 KXLSAOPFKPBECS-DLBZAZTESA-N 266.473 3.833 30 20 CHED CC(C)(C#N)OC(=O)CCc1ccc(-c2ccccc2)o1 796506355 MXAIXYJJCDXEEU-UHFFFAOYSA-N 283.327 3.725 30 20 CHED C[C@H](NN=Cc1ccccc1OC(F)F)C(C)(C)C 793112938 YGBHDWQHIFRPNL-JTQLQIEISA-N 270.323 3.646 30 20 CHED Fc1cccnc1NN=Cc1c(Cl)cccc1Cl 794980853 QFUWXLCRROSFPL-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CC(=NNc1nc2ccccc2s1)c1ccnc(F)c1 794855839 AZYFDILUZQZZLN-UHFFFAOYSA-N 286.335 3.667 30 20 CHED CCOc1ccc(NCc2ccc(C#N)c(OC)c2)c(C)c1 799333725 FPQPVONISDTORX-UHFFFAOYSA-N 296.370 3.886 30 20 CHED Cc1cc(NC(=O)N(C)c2cccc(C)c2C)ncc1C#N 1219692421 NGICIDSWIMNGEM-UHFFFAOYSA-N 294.358 3.547 30 20 CHED COc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1F 1319468334 VJSHWUCRNWKULC-YRNVUSSQSA-N 286.277 3.796 30 20 CHED N#CC1(CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)CC1 1319824667 FTAYSIAOWLYVGY-SOUVJXGZSA-N 258.409 3.581 30 20 CHED N#CC1(CN(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)CC1 1319824665 FTAYSIAOWLYVGY-KKUMJFAQSA-N 258.409 3.581 30 20 CHED Cc1ccc(Nc2cc(C#N)ncn2)cc1OCCC(C)C 1162584628 LCJATBGOFMFZAF-UHFFFAOYSA-N 296.374 3.825 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCCC[C@H]2C1 1318884025 RCACOOVHHUHBBJ-CVEARBPZSA-N 297.402 3.911 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cccc2ccncc12 1319667645 LYIPZCPWPKMMDJ-UHFFFAOYSA-N 286.334 3.615 30 20 CHED CC[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)[C@H]1CC1(C)C 1311103873 LIPRESVRZYMVBU-ZIAGYGMSSA-N 289.354 3.644 30 20 CHED Cc1ccc(-c2nnc([C@H](C)Oc3ccc(C#N)cc3)o2)o1 1322279269 WMWFTHIZWZBCCM-NSHDSACASA-N 295.298 3.650 30 20 CHED C=CCOC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1328389716 JHIFOVYNFCPDGD-UHFFFAOYSA-N 258.361 3.961 30 20 CHED C=CCCCCCCCNC(=O)Cc1c[nH]c2cnccc12 1326327398 QPQCPMVYQPMJMR-UHFFFAOYSA-N 299.418 3.748 30 20 CHED N#Cc1cccc(NC(=O)CCCc2ccc(Cl)cc2)n1 1181872319 COONPBJYACDMAI-UHFFFAOYSA-N 299.761 3.568 30 20 CHED CC(C)CN(CCC#N)CCCCC(F)(F)F 751991240 HDMADURMEOKELG-UHFFFAOYSA-N 250.308 3.591 30 20 CHED C=CC[C@@H]1CCCN(Cc2csc([C@@H](C)OC)n2)C1 661381151 WMPMEGPJNDSONT-CHWSQXEVSA-N 280.437 3.639 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCOCc1ccccc1 695859622 ORYSVSWTCXUCFX-HNNXBMFYSA-N 274.408 3.511 30 20 CHED CCCCCCCC(=O)Nc1cnc(Cl)cc1C#N 1256485971 JBOWIHIHLJPMPM-UHFFFAOYSA-N 279.771 3.906 30 20 CHED Cc1cc(OC(=O)/C=C/c2nccs2)c(C)c(C)c1C#N 1338942613 DPTOLQHPFFSFFL-SNAWJCMRSA-N 298.367 3.559 30 20 CHED C[C@H](OC(=O)c1cc(Cl)ccn1)c1cccc(C#N)c1 1266014458 PUAQUHFFUYEZDY-JTQLQIEISA-N 286.718 3.525 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCC3)Cc2cc(O)ccc21 1343145084 ZNJFSXIFSJUQHQ-SXGWCWSVSA-N 276.335 3.703 30 20 CHED CCN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)[C@H](C)C#N 1261755474 GGIPJLVTVUYMCS-BRADTZPFSA-N 284.403 3.758 30 20 CHED C#CCC[C@H](C)OC(=O)CCc1nc2ccccc2s1 1345801992 SMOPEEHFZYEROB-LBPRGKRZSA-N 287.384 3.574 30 20 CHED Cc1coc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1 1343425436 XNTXEXOLTXHEMB-SNVBAGLBSA-N 288.372 3.832 30 20 CHED N#Cc1ccc(F)c(NC(=O)C2(c3cccc(F)c3)CC2)c1 1275425642 KNFVXBVDDDRXPG-UHFFFAOYSA-N 298.292 3.507 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CC(C)C)cc1C#N 1457399320 MOHHKTPSOLYWNL-UHFFFAOYSA-N 272.392 3.669 30 20 CHED Cc1ccc(C(=O)NCC2CCC(C)(C)CC2)cc1C#N 1521494578 NBSKWTLEEPLQPE-UHFFFAOYSA-N 284.403 3.813 30 20 CHED CN(C(=O)c1ccc(C#N)s1)c1ccc(F)cc1Cl 1528033790 XCGMIUCVNXTJMW-UHFFFAOYSA-N 294.738 3.689 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC2(C)CCCC2)c1 1466836531 AFVDKKKOGFQQML-UHFFFAOYSA-N 271.364 3.569 30 20 CHED N#Cc1cnnc(NC[C@@H]2CCCC[C@@H]2c2ccccc2)c1 1472783778 JCEGJIYJRMYTEO-DLBZAZTESA-N 292.386 3.734 30 20 CHED Cc1cc(Nc2cccc(-c3ccon3)c2)ncc1C#N 1559287227 IXNMKWZSWURWGF-UHFFFAOYSA-N 276.299 3.660 30 20 CHED C[C@@H]1CCc2c(sc3ncnc(SCCC#N)c23)C1 9643802 DUSSFVQEYBDKOX-SECBINFHSA-N 289.429 3.822 30 20 CHED CCc1ccc2ccccc2c1CN=c1cc[nH]cc1C#N 1640381478 GERCHRVWODLPBY-UHFFFAOYSA-N 287.366 3.703 30 20 CHED CO[C@H](COc1c(C)cc(Cl)cc1C#N)CC(C)C 1644018466 QVZGXJDNTMVKGF-AWEZNQCLSA-N 281.783 3.960 30 20 CHED N#CCC[C@H](Nc1ncc(C#N)cc1F)c1ccccc1 1642468567 OLQFJRVZOMNEJW-HNNXBMFYSA-N 280.306 3.549 30 20 CHED Cc1nnc(N(C)C[C@H](C)C2CCCCC2)c(C#N)c1C 1640262513 SKSUKMMSSVRECH-LBPRGKRZSA-N 286.423 3.618 30 20 CHED C=CC[C@H](C(=O)Oc1ccc(C(=O)O)cc1)c1ccccc1 1588731225 FPYHCWUMOSAAKU-INIZCTEOSA-N 296.322 3.650 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1651451698 TWGIENQXPYYYHN-RACFRTOFSA-N 293.823 3.905 30 20 CHED CCN(C(=O)Nc1cc(F)cc(C#N)c1)C1CCCCC1 1672407113 RCUMILNJLRETCI-UHFFFAOYSA-N 289.354 3.884 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cccc(CC(=O)O)c1 1777465344 UIKKCICCGSMZPJ-MDZDMXLPSA-N 280.323 3.518 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)c1cccc(C)c1C 1776084288 GQELQVKWBYIFTI-UHFFFAOYSA-N 296.370 3.767 30 20 CHED CC1(C)CC[C@@H](F)C1=NNc1ccc(Cl)c(C(=O)O)c1 1776034767 XXEBMHYUAFBJDI-LLVKDONJSA-N 298.745 3.964 30 20 CHED N#Cc1ccc(Sc2ccc(F)cc2F)c([N+](=O)[O-])c1 18058989 GFZPKESZUGGBPT-UHFFFAOYSA-N 292.266 3.896 30 20 CHED N#Cc1ccsc1NC(=O)Cc1ccc(F)cc1Cl 160193229 PSMWYOXMGQDMGK-UHFFFAOYSA-N 294.738 3.593 30 20 CHED C=CCC[C@@H](CC)N[C@H](COC)c1ccc(C)o1 156483921 QPIVXZIYGGYWBZ-ZIAGYGMSSA-N 251.370 3.610 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1ccc(C#N)cc1)C2=O 209261489 LRZAAOKHUOYNBC-SXGWCWSVSA-N 289.334 3.834 30 20 CHED N#Cc1cccc(CN(Cc2ccccc2)CC(F)F)c1 112978045 UMOMAMMVUNUGLC-UHFFFAOYSA-N 286.325 3.826 30 20 CHED N#Cc1cccc(OCCCOc2ccccc2F)c1 34674970 ZAORJFAMYCRMIE-UHFFFAOYSA-N 271.291 3.545 30 20 CHED C[C@H](N[C@H]1CCc2ccccc21)c1cccc(C#N)c1 37230001 UMFLNPBJRSVWOP-UGSOOPFHSA-N 262.356 3.896 30 20 CHED CCc1ccc([C@H](C)NC(=O)C2(C#N)CCCC2)cc1 52738670 SUVWLDLLZLJDGD-ZDUSSCGKSA-N 270.376 3.510 30 20 CHED COc1ccc(C#N)cc1CN[C@]1(C)CCCC[C@H]1C 308717182 XIPTZYFFPZZESE-CXAGYDPISA-N 272.392 3.625 30 20 CHED C[C@H](CCC#N)Sc1ccc2c(c1)OCCCO2 412977643 LKXIRTQKRBZERB-LLVKDONJSA-N 263.362 3.632 30 20 CHED C=CCOCCCN[C@@H](C)c1oc2ccccc2c1C 470771583 GDPZBORDZUWCAL-AWEZNQCLSA-N 273.376 3.985 30 20 CHED CC1(C)[C@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]21 380388392 WVIZZPYUDRGWLC-STQMWFEESA-N 280.293 3.669 30 20 CHED CC1(C)CN(c2nccc(C#N)c2Cl)[C@H]2CCC[C@@H]21 381258748 WUYMMNPZXSBSKI-RYUDHWBXSA-N 275.783 3.622 30 20 CHED Cc1oc2ccc(NC(=O)C3(C#N)CCC3)cc2c1C 274707569 BFKXYFSHTLILAI-UHFFFAOYSA-N 268.316 3.682 30 20 CHED C=C(C)CCSc1nnc(-c2ccc(OC)cc2)n1C 274730287 IHBUJGDFJKSJPI-UHFFFAOYSA-N 289.404 3.549 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 7915468 URAQGINGPCCOAP-CMDGGOBGSA-N 297.310 3.808 30 20 CHED C#Cc1cccc(NCC(=O)N(c2ccccc2)C(C)C)c1 55769381 JWECXFLJGGQDJK-UHFFFAOYSA-N 292.382 3.521 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCC1 66802382 RTSBFHYIDKLSBT-NSHDSACASA-N 274.389 3.819 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(C)c(O)c2)cc1 510041147 MTYVDLQFPUEINU-UHFFFAOYSA-N 283.327 3.518 30 20 CHED C=CCCSCc1nc([C@H](C)OCC(C)C)no1 174252661 ITPUHRITDZRDIJ-NSHDSACASA-N 270.398 3.613 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1SC(C)C 116850129 JCJRELQGHIIKKX-GFCCVEGCSA-N 263.406 3.882 30 20 CHED CCCCSCCC(=O)Nc1ccc(F)cc1C#N 177592249 YCTZYGVBFZWDBO-UHFFFAOYSA-N 280.368 3.559 30 20 CHED O=C(/C=C/c1ccc2ccccc2c1)c1cnccn1 115962326 JZTAAJREBGHMQT-SOFGYWHQSA-N 260.296 3.526 30 20 CHED C=C[C@H](CC(=O)NCC1(C2CC2)CC1)c1ccccc1 179525775 MEUKPJRORIEQGB-CQSZACIVSA-N 269.388 3.653 30 20 CHED N#Cc1cc(C(=O)OCCCCC2(C#N)CCC2)cs1 1345394993 GTDRZSGPQWGJQL-UHFFFAOYSA-N 288.372 3.641 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1)c1cccc(F)c1 118453918 KEPBMNROBQVGRP-UHFFFAOYSA-N 282.362 3.765 30 20 CHED N#Cc1cccnc1NCCCc1ccc(Cl)cc1 301096522 GWDBJYSWNYLMBE-UHFFFAOYSA-N 271.751 3.651 30 20 CHED CC(C)Oc1ccc([C@H](C)NCCCCC#N)cc1 178647178 AURINWHWSVEZKB-AWEZNQCLSA-N 260.381 3.818 30 20 CHED CS[C@@H]1CCCCN(c2c(Cl)cccc2C#N)C1 301795491 STEPSVJIIMXFAW-GFCCVEGCSA-N 280.824 3.934 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccccc2C)c1 302042957 SHZLBKKCGWRUBX-UHFFFAOYSA-N 264.328 3.681 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1cccc(OC(F)F)c1 301266268 HWASZSGYEDWCMT-SNVBAGLBSA-N 289.285 3.728 30 20 CHED CC1(CNC(=O)c2ccc(C#N)cc2F)CCCCCC1 1266663896 XIUARBCWZZDVMX-UHFFFAOYSA-N 288.366 3.788 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1cc(F)cc(F)c1 120165541 NEPIDCHVUPWLCC-NSHDSACASA-N 284.302 3.552 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](Nc1ccc(C#N)nn1)CC2 302390978 IIVDDOUYTAQZSX-INIZCTEOSA-N 278.359 3.571 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1N1CCCC1 30180500 JECOUDUIFCMDHO-UHFFFAOYSA-N 297.402 3.618 30 20 CHED CC(C)[C@@H](CNc1ccc(C#N)cc1)c1cccnc1 301596429 WKGBJEHVRPVVJY-QGZVFWFLSA-N 265.360 3.805 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1 126276931 VBPZLJXWZAVXIL-DUXPYHPUSA-N 288.690 3.539 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(F)cn1 123379678 IYPARKMAPYEMJH-UHFFFAOYSA-N 291.370 3.821 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(Cl)cc1 189781751 XLNVXGVORCKVIQ-HNNXBMFYSA-N 265.784 3.601 30 20 CHED Cc1ccc(C)c(C(=O)CCC(=O)OCC2(C#N)CCC2)c1 183867905 YUJVMUXQVYFFBK-UHFFFAOYSA-N 299.370 3.503 30 20 CHED N#CCSCCCNC1(c2ccccc2)CCCC1 183549798 SZPPLZBUUXKXPD-UHFFFAOYSA-N 274.433 3.692 30 20 CHED N#Cc1ccc(CNc2cccc(NC(=O)C3CC3)c2)cc1 79121451 HGFLQCKPEBQOBG-UHFFFAOYSA-N 291.354 3.519 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(-c2ccccc2)s1 183822183 BAIFDTHVPRVHOB-CYBMUJFWSA-N 284.384 3.837 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(CC)CC(=C)C 413813124 CTXHHZIPTKFRMA-QGZVFWFLSA-N 286.419 3.781 30 20 CHED C=CCOCCS[C@@H]1CCc2ccc(F)cc21 419418943 LJIUYANYKXFICH-CQSZACIVSA-N 252.354 3.749 30 20 CHED CCN1CCN(CC(C)(C)CCC#N)c2ccccc21 180749746 MTELFSFUWLSQJH-UHFFFAOYSA-N 271.408 3.663 30 20 CHED C=CCN(CC=C)Cc1cc(=O)oc2cc(C)c(C)cc12 72104195 DUSDFMCBBYTAMA-UHFFFAOYSA-N 283.371 3.584 30 20 CHED N#CC1(CSCCOc2ccccc2F)CCC1 419385935 CWWRJAWHGLLXRX-UHFFFAOYSA-N 265.353 3.632 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 188489544 SQAVUXCIPDTZSO-BLLLJJGKSA-N 290.363 3.683 30 20 CHED Cc1nc(C)c(C#N)c(SCc2cc(F)cc(F)c2)n1 188176679 NFDDNKHADMIKLX-UHFFFAOYSA-N 291.326 3.536 30 20 CHED CCC[C@@H]1CCc2c(sc(=O)n2CC2(C#N)CCC2)C1 418917790 YSBMKCZYFCKRLI-GFCCVEGCSA-N 290.432 3.509 30 20 CHED C=CCOCCOc1cc(Cl)c(Cl)cc1C(C)=O 418961125 ATSUUMCNSWMYMR-UHFFFAOYSA-N 289.158 3.777 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](SC)c1ccccc1 182592447 BAVGVTAEMFXQSZ-ZFWWWQNUSA-N 277.433 3.952 30 20 CHED N#C[C@@H](C(=O)c1occc1-c1ccccc1)c1ccccn1 73970341 POIGEOJOBIFOHO-OAHLLOKOSA-N 288.306 3.832 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)CCc2c(O)cccc21 78695059 UVLDEDJPAYMJRQ-SDNWHVSQSA-N 292.334 3.540 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(CCC)s1 189155859 DAQXVKWBQWKKKN-CYBMUJFWSA-N 252.383 3.636 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(OC2CCCC2)c1 184974120 YLCDDCVKAKIBFM-UHFFFAOYSA-N 285.387 3.996 30 20 CHED CC[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)cc1 503901127 HHMISCNYPOJKGA-RBSFLKMASA-N 294.345 3.759 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)[C@@H](C)C2 180145828 FXCHZGXAWLHKIK-IFXJQAMLSA-N 276.383 3.890 30 20 CHED CC[C@H](NCCCSCC#N)c1ccc(C)cc1 181709635 DMSOJPLPGIGMPG-HNNXBMFYSA-N 262.422 3.683 30 20 CHED Cc1cc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c(C)o1 130869488 HGPFWWXVNQVTIJ-UHFFFAOYSA-N 298.342 3.808 30 20 CHED C[C@@H](CCC#N)N1CCC(Cc2c(F)cccc2F)CC1 411807304 KBINDMTXIUKEIB-ZDUSSCGKSA-N 292.373 3.912 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1cc(Cl)ccc1Cl 42460803 LZTLBQXLVDKSMJ-QMMMGPOBSA-N 286.162 3.617 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c(C#N)c1 190043930 FFXIJSNMGQDJSM-CQSZACIVSA-N 262.740 3.752 30 20 CHED Cc1cc(CN[C@H](C2CCC2)C2CC2)ccc1C#N 453619295 KAXOOPCFFPTPFI-QGZVFWFLSA-N 254.377 3.535 30 20 CHED C#CCCCC(=O)N1C[C@@H](C)CSc2ccccc21 190496515 SWSIHUNFAIFJLE-CYBMUJFWSA-N 273.401 3.565 30 20 CHED CC1(C/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CCCCC1 329560089 IQIRWVAIJIYSJO-AWEZNQCLSA-N 288.391 3.933 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2N[C@@H]2CC[C@H](C#N)C2)cc1 424320271 FYZGOKGWRJHQLL-XOYOTBSWSA-N 268.404 3.913 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc([C@@H]2CCCO2)s1 426572182 ZLRJEPUKAHMYJU-JSGCOSHPSA-N 278.421 3.535 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)o1 83982143 MAWJVAXTKHBFOY-UXBLZVDNSA-N 283.327 3.697 30 20 CHED N#CC1(CCCN2CC[C@H](C3CCCC3)C2)CCOCC1 420963840 OFDVGEDUDYZENR-KRWDZBQOSA-N 290.451 3.599 30 20 CHED C#CCCCC(=O)N[C@H](Cc1ccccc1)c1cccs1 192323359 FZLHXZSPGCRFHF-MRXNPFEDSA-N 297.423 3.952 30 20 CHED Cc1nc(CC/N=C(/O)[C@H]2CCCC(F)(F)C2)c(C)o1 328658658 RLPIHBOKCDLWOQ-NSHDSACASA-N 286.322 3.616 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc2c1OCC[C@@H]2OC 424850234 IVFHLOIZOOETLJ-AWEZNQCLSA-N 289.375 3.697 30 20 CHED C=C(C)CN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 513210466 PXTSWBUPJVSOCV-HNNXBMFYSA-N 299.336 3.573 30 20 CHED C=CCC1(C(=O)Nc2ccccc2O[C@H](C)C#N)CCC1 191945154 OJHQJLQJEMGOQF-CYBMUJFWSA-N 284.359 3.662 30 20 CHED C=CCCC(=O)Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 191736151 LSJXPZHZUQXGRO-XJKSGUPXSA-N 270.376 3.580 30 20 CHED CCCCCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 193391242 CQGZRQOTBHZYCW-CYBMUJFWSA-N 292.766 3.568 30 20 CHED CCCCCCCCC[S@](=O)Cc1cc(C)on1 190758774 QVLBSLSYUZKUPI-SFHVURJKSA-N 271.426 3.982 30 20 CHED C=CCCOCCN[C@@H](CC)c1cccc(Cl)c1 222443193 RYGLXVGBTOPBNU-HNNXBMFYSA-N 267.800 3.973 30 20 CHED N#Cc1c(F)cccc1CNc1ccc(F)c(F)c1F 427525766 AFMYYFOVXQJVDT-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C#CCCCC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 192170931 RCVVWEBXSOTKCE-GFCCVEGCSA-N 297.320 3.556 30 20 CHED CCC(C)(C)C1CCC(CC(=O)N(C)CC#N)CC1 512680793 PZVJSJOFSJCXTA-UHFFFAOYSA-N 264.413 3.601 30 20 CHED C#CCCCC(=O)N1CCCCC[C@@H]1c1ccccc1 192199912 BHIVEQFCVSWKTB-QGZVFWFLSA-N 269.388 3.934 30 20 CHED N#CCCN(Cc1coc(-c2cccc(F)c2)n1)CC1CC1 81514793 JSJBHHDRIOKMMU-UHFFFAOYSA-N 299.349 3.606 30 20 CHED C=CCC[C@H](CCC)NCCc1nnc(C(C)C)s1 426338118 DCMOSLTVKHAZGC-ZDUSSCGKSA-N 281.469 3.929 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2ccc(Cl)cn2)cc1 191935536 SIEZKKJELJEXES-NSHDSACASA-N 287.750 3.638 30 20 CHED CCN(C(=O)c1sc2ccc(C#N)cc2c1C)C(C)C 429822322 SWDLILQJSQTGMD-UHFFFAOYSA-N 286.400 3.952 30 20 CHED N#C[C@@]1(C(=O)NC23CC4CC(CC(C4)C2)C3)CC12CCCC2 333814049 HLIGNEDSMPLPSF-KBZRGSMASA-N 298.430 3.545 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[C@H](C#N)C1 424200927 RPFLQVGTJFWKFE-OSAQELSMSA-N 262.784 3.553 30 20 CHED C=CCOc1ccc(CN(C)CC2CCCC2)cc1OC 512685455 CCICGFVYKNIWSC-UHFFFAOYSA-N 289.419 3.882 30 20 CHED Cc1csc(NC(=O)[C@H](C)c2cccs2)c1C#N 336559862 YCPVTYHBVGKDGK-SECBINFHSA-N 276.386 3.732 30 20 CHED CCCNc1ccccc1NC(=O)c1cccc(C#N)c1C 513668069 YMDKKDVDLIWQLS-UHFFFAOYSA-N 293.370 3.941 30 20 CHED C=CCCC(=O)N[C@H](CC)c1ccc(Cl)cc1 338619214 VHNLKLJOVZEBAJ-CYBMUJFWSA-N 251.757 3.874 30 20 CHED CCCC[C@@H](CCC)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 425468292 QXASSCCNSCOXKR-QLFBSQMISA-N 279.428 3.584 30 20 CHED N#Cc1ccc(NC(=O)Nc2ccc(O)cc2)c(Cl)c1 336342666 JXELBVQXCUWLAR-UHFFFAOYSA-N 287.706 3.561 30 20 CHED C[C@H]1CC[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 336384937 ZFZFVFWXURIBNY-KSSFIOAISA-N 294.398 3.610 30 20 CHED Cc1nc(-c2ccc(NC(=O)[C@]3(C#N)C[C@H]3C)cc2)cs1 336237005 DQBNNDQZBZYMDU-HWPZZCPQSA-N 297.383 3.607 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cn1 96603052 JMXRMWRFEBGTEU-HYXAFXHYSA-N 281.142 3.623 30 20 CHED N#CCc1ccc(NCc2cnn(-c3ccccc3)c2)cc1 237835633 OXEXSOAUDVELOP-UHFFFAOYSA-N 288.354 3.550 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCOC2(CCC2)C1 335104590 PKPFQZJSYDMFQN-WMZOPIPTSA-N 296.414 3.627 30 20 CHED C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)C(C)(F)F 339024799 RZSKZGVPNCZZSW-NSHDSACASA-N 296.317 3.599 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCC[C@H]1C(C)C 337877727 VTZZIKJQUQDJDZ-INIZCTEOSA-N 270.376 3.517 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(CC#N)c1ccccc1 522649596 SWAWTXVKUVSGST-HUUCEWRRSA-N 270.376 3.760 30 20 CHED C[C@@H]1CCC[C@@H](Nc2ccccc2O[C@H](C)C#N)C1 248417545 RKQGBLDJAAKNFT-MGPQQGTHSA-N 258.365 3.968 30 20 CHED Cc1cccc(O[C@@H](C)CNc2snc(C)c2C#N)c1 342289913 GNTKVCSQGVDXNT-NSHDSACASA-N 287.388 3.511 30 20 CHED C=CCOc1cccc(CNC[C@H]2CCC(F)(F)C2)c1 430026551 PXRAJWFLZLGQQV-AWEZNQCLSA-N 281.346 3.776 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)o2)cc1 340671378 NDBGZWVCZFZWQN-UHFFFAOYSA-N 284.315 3.581 30 20 CHED CC(C)(NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 435156220 AZJQSIMFROIHIP-UHFFFAOYSA-N 297.333 3.754 30 20 CHED C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1C 245794258 WQIOBLGWHILZSA-HZPDHXFCSA-N 285.435 3.514 30 20 CHED C=CCC(F)(F)c1nc([C@H](OC)c2ccc(F)cc2)no1 340643699 MNGMKNJCODMIRH-LLVKDONJSA-N 298.264 3.612 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@@H]1C1CC1 436304244 XYNIESGWQLNFSJ-BPQIPLTHSA-N 266.388 3.714 30 20 CHED Cn1cnc2cc(CNc3ccc(Cl)c(C#N)c3)ccc21 432419431 BTNXTPIYMCJOHL-UHFFFAOYSA-N 296.761 3.710 30 20 CHED C=CC1CCN(C(=O)CCc2cnc3ccccc3c2)CC1 348285096 QNVPCPROFXTDKW-UHFFFAOYSA-N 294.398 3.592 30 20 CHED Cc1cccc(C2(C(=O)NCC3(CC#N)CC3)CCCC2)c1 431143500 KLVYTYDMZBQZJH-UHFFFAOYSA-N 296.414 3.617 30 20 CHED C=CCN(CCC#N)Cc1ccsc1C(F)(F)F 600162848 WQAVQZSLBSXWIP-UHFFFAOYSA-N 274.311 3.669 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2C)C1 432281162 BYXPGECKQBEQQP-DZGCQCFKSA-N 285.391 3.957 30 20 CHED CC(F)(F)CCC(=O)Nc1cccc(OCCCC#N)c1 603972292 HXYKEYOSCHRHDF-UHFFFAOYSA-N 296.317 3.743 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC(C)(C)C[C@@H]1C 436296902 TYECRAGCPYIHLK-FZKCQIBNSA-N 265.441 3.772 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccccc1Br 293695045 CRWWERBFIYBMFN-UHFFFAOYSA-N 296.208 3.781 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(NC[C@H]2C[C@@H]2C)cc1 437264571 YYDTWSDOLWDEFZ-GOEBONIOSA-N 284.403 3.569 30 20 CHED Cc1ccc(C#N)c(NCC2(c3ccc(F)cc3)CC2)n1 346853896 SHYYTDIHLYJYEZ-UHFFFAOYSA-N 281.334 3.545 30 20 CHED CC(C)(C)c1nc(CON=Cc2ccc(Cl)cc2)no1 255167606 AQVJVRFXEQBJAW-UHFFFAOYSA-N 293.754 3.571 30 20 CHED CC(C)COc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 442710691 CWJXNBWGKSNIJD-ZBFHGGJFSA-N 272.392 3.503 30 20 CHED C=CCC(CC=C)c1nc(-c2nccc3[nH]ccc23)no1 340689876 LSSRXODYGLLSAF-UHFFFAOYSA-N 280.331 3.849 30 20 CHED CCSCCCc1noc(-c2cccc(C#N)c2C)n1 347179987 UNTOPVISLLJFOY-UHFFFAOYSA-N 287.388 3.602 30 20 CHED FC(F)Oc1ccccc1C=NOCc1ccccc1 250648616 NVYVUYKINQNNMR-UHFFFAOYSA-N 277.270 3.839 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2C#N)c(F)c1Cl 448099648 UIIMEPWFZIBQBM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC1(C)[C@@H]2C[C@@H]1CC=C2C=NNc1cccc([N+](=O)[O-])c1 252511430 GROGQRDYSRFVQF-SWLSCSKDSA-N 285.347 3.985 30 20 CHED C=CCOCC(=O)N(C1CC1)[C@H](C)c1ccccc1Cl 354739383 XWUCGTIIIHAFOV-GFCCVEGCSA-N 293.794 3.595 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 448551211 WBJLNQHIAZCOFM-LLVKDONJSA-N 283.824 3.903 30 20 CHED COCCSCCCSc1ccc(C#N)cc1F 447297075 YOHYUGIFLOFZNP-UHFFFAOYSA-N 285.409 3.559 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC[C@H](C)CCC#N 602693005 KYHSPGYUZJPMNJ-WBVHZDCISA-N 256.393 3.703 30 20 CHED C=CCN(CCC#N)C(=O)C1(c2ccccc2C)CCCC1 359423037 FJRSYUKGUHIIAB-UHFFFAOYSA-N 296.414 3.735 30 20 CHED N#C[C@H]1CC[C@H](NCCOc2ccc(Cl)c(Cl)c2)C1 449405909 PKTUNVAIGWGFPX-QWRGUYRKSA-N 299.201 3.654 30 20 CHED COC1CCC(CCN[C@H]2CCc3ccc(C#N)cc32)CC1 353682737 YOAQHEPMKHDTSK-YVNUBYTISA-N 298.430 3.730 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)C[C@H](C)C1CCCCC1 530038195 KSBGRYPBFOQMDL-LBPRGKRZSA-N 288.391 3.748 30 20 CHED CCC1(CNC(=O)C[C@@H](CC#N)c2ccccc2)CCC1 356326937 DWOXUPSXLACNMG-MRXNPFEDSA-N 284.403 3.770 30 20 CHED N#Cc1cccc(CNC23CC(c4ccccc4)(C2)C3)c1 603429064 LOABYCPNLLOECJ-UHFFFAOYSA-N 274.367 3.522 30 20 CHED C=C(CC)CSCC(=O)N1CCC[C@H]2CCCC[C@H]21 536882243 VACBXDOBSSTMJY-HUUCEWRRSA-N 281.465 3.867 30 20 CHED CCc1ccc(CNc2ccc(Cl)c(C#N)c2)cn1 351566429 CSGXBYYCYNVQGS-UHFFFAOYSA-N 271.751 3.781 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[C@@H](C)C1 444135435 YZQVYFGQYKBHLX-HIFRSBDPSA-N 290.382 3.712 30 20 CHED C#CCCCCNC(=O)N(CC)Cc1ccc(Cl)cc1 268203616 BCZFZGYZMJVMOA-UHFFFAOYSA-N 292.810 3.675 30 20 CHED C=CCOCCCSCc1ncc(C)c(OC)c1C 359134210 YFWOONZEPJBSNS-UHFFFAOYSA-N 281.421 3.533 30 20 CHED CC(=O)Nc1cccc([C@H](C)NC2CCC(C)(C#N)CC2)c1 449077230 YJGAVNLHOKDUSM-BELGNNRLSA-N 299.418 3.768 30 20 CHED Cc1cc(CNCCCCN2CCCC[C@H]2C)ccc1C#N 443990568 TWMDUKJXVIQYAV-QGZVFWFLSA-N 299.462 3.611 30 20 CHED COc1ccc(C#N)cc1CSCCCCF 350804192 XBRDFBSJBQOIBA-UHFFFAOYSA-N 253.342 3.550 30 20 CHED Cc1cc(C)cc(CCNC2CCC(C)(C#N)CC2)c1 449160301 LJHFUBGCXNLVNI-UHFFFAOYSA-N 270.420 3.908 30 20 CHED CCC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 268055063 ROOZNGGDPIRMGR-IAGOWNOFSA-N 299.418 3.667 30 20 CHED CCCN(CC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 269390971 RESZLXZFPHGOKZ-UHFFFAOYSA-N 289.379 3.609 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCC[C@@H]1[C@H](C)CC)OCC 534396958 KUTNVHKJNCVYKQ-OAGGEKHMSA-N 281.440 3.785 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1C 539812143 JITWVKAWZBMTFV-DVOMOZLQSA-N 272.392 3.574 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCC[C@@H]1CCC(C)C 450130189 LCKIBPCDDMCHMP-OAHLLOKOSA-N 287.407 3.626 30 20 CHED C[C@H](Cc1cccc(Cl)c1)NCC(C)(C)CC#N 459732718 PEQIJLOKKSDOSC-GFCCVEGCSA-N 264.800 3.800 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C 456352815 VGIWQPNATRUTOG-IRXDYDNUSA-N 284.403 3.619 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](CC)C(F)F 455181401 VZHOWZMSCWSULM-CQSZACIVSA-N 296.361 3.818 30 20 CHED C=CCCNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 617615974 DXHWMFBZIJKPQW-NSHDSACASA-N 285.309 3.576 30 20 CHED N#CCc1ccc(NCCCCCF)c(Cl)c1 453140096 XKIRBFXTMHFJFU-UHFFFAOYSA-N 254.736 3.958 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cnn(CC(C)C)c1C 455031701 AGGBBHYRDVIBIT-UHFFFAOYSA-N 292.427 3.571 30 20 CHED C=CCSc1ccccc1C(=O)NC1CCSCC1 362762478 JLZKJUAQVHVHER-UHFFFAOYSA-N 293.457 3.590 30 20 CHED C=CCC1(CN[C@@H]2C[C@@H](C)n3ccnc32)CCCC1 453387900 WESJGQPGRHXAKK-ZIAGYGMSSA-N 259.397 3.615 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCc2ccccc21 452309858 DXBBBVPVONHWMC-YJBOKZPZSA-N 271.404 3.825 30 20 CHED CCC(CC)CNC(=O)Nc1ccc(CC#N)cc1Cl 455695899 BOIKEQKRBPGIKJ-UHFFFAOYSA-N 293.798 3.964 30 20 CHED COc1ccc(C#N)cc1CN1C[C@H](C)[C@H]2CCCC[C@H]21 611801983 FOXMEZVFDYSJHY-IAOVAPTHSA-N 284.403 3.577 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 450973736 SYDVCTAVHYZZBP-VMUDFCTBSA-N 276.424 3.647 30 20 CHED N#Cc1ccc2nc(N3CC[C@@H](c4ccco4)C3)ccc2c1 362341244 MUPKILJEWKOHJF-OAHLLOKOSA-N 289.338 3.693 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)cc1Cl 276251565 DMSNYIWHTQNRJE-UHFFFAOYSA-N 252.745 3.688 30 20 CHED CC(C)(CC#N)CNC(=O)CCCCCc1cccs1 457999351 ZROQGSXDADVTEV-UHFFFAOYSA-N 292.448 3.907 30 20 CHED C=CCC1(CN[C@@H](C)c2nccn2CC)CCCC1 453364403 LBNBOZDTZNUSHP-AWEZNQCLSA-N 261.413 3.690 30 20 CHED C=CCN(CC=C)C(=O)CSCCCc1ccsc1 360934296 GMYGAZUFPDHKBV-UHFFFAOYSA-N 295.473 3.615 30 20 CHED C[C@@H]1C[C@H]1CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452677487 IICSJPVHYVIEHE-NEPJUHHUSA-N 286.375 3.720 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 451392616 JJKAWDZODHQQNX-SREIQFSDSA-N 287.121 3.621 30 20 CHED C=CCN(C(=O)Nc1ccc(N(C)C)c(Cl)c1)C1CC1 271558678 PHFOUVASCSMKJY-UHFFFAOYSA-N 293.798 3.588 30 20 CHED C=CCN(C(=O)[C@@H](C)CCc1cccc(F)c1)C1CC1 271601043 YMYNUEXLFDVOLB-ZDUSSCGKSA-N 275.367 3.571 30 20 CHED CC[C@@H](CC#N)Nc1ccc(C(F)(F)F)c(Cl)n1 273881349 RDPVLQVZMBGBCE-ZETCQYMHSA-N 277.677 3.858 30 20 CHED CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1(C)C 463007536 DOUYUFSHSOVAJA-RRQGHBQHSA-N 286.419 3.801 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 467062158 YEVYVEXETIVOEO-MSOLQXFVSA-N 279.383 3.978 30 20 CHED C=CCC[C@@H](CC)NC[C@H](OC)c1cccc(OC)c1 624031464 IZGYULBWNYPELF-WBVHZDCISA-N 277.408 3.717 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)C(=O)CC(C)(C)C#N 288349412 LUHKUNOEDYSDIH-OAHLLOKOSA-N 288.391 3.545 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc2oc(C)nc12 280143577 RFARPFALBBRFJG-UHFFFAOYSA-N 299.374 3.729 30 20 CHED C=CCC[C@H](C(=O)NCc1ncc(CC)o1)c1ccccc1 281558765 LAINFHFSTMCYIA-INIZCTEOSA-N 298.386 3.603 30 20 CHED C=CCC(CC=C)C(=O)N(CC=C)Cc1ccc(OC)cc1 467823034 LXNNVFRLPQZLEY-UHFFFAOYSA-N 299.414 3.978 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCC[C@H](C)C1 466315997 CJBJIZJIQBSOKM-IHRRRGAJSA-N 252.402 3.561 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(F)c1 464646173 WNXMHGNZMWBJBH-NSHDSACASA-N 274.339 3.852 30 20 CHED N#Cc1cccc(C2(NCc3cc(F)ccc3F)CC2)c1 556407617 MNGQBFBEGCQQPT-UHFFFAOYSA-N 284.309 3.615 30 20 CHED C=C[C@H](C)NC(=O)CCCc1csc2ccccc12 465119055 XZZFXPSUVQJUDO-LBPRGKRZSA-N 273.401 3.915 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@@H](CC2CC2)C1 550422165 FVCYBYDMCHBTLM-ZDUSSCGKSA-N 274.795 3.834 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1ccc(C#N)c(F)c1 464648546 FPZSIGRGKUIYCB-UHFFFAOYSA-N 262.328 3.708 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(OC(C)C)c1 280670846 PULTUHGJHDRACI-WMZOPIPTSA-N 289.419 3.545 30 20 CHED C=CCC(F)(F)c1nc(Cc2ccc(F)cc2F)no1 551341275 FQSHXMPJMRXNAG-UHFFFAOYSA-N 286.228 3.607 30 20 CHED C=CCCCCNc1cccc2c1OCC[C@@H]2OC 556414393 SVMSBYOYZBAJRP-HNNXBMFYSA-N 261.365 3.925 30 20 CHED C=C1CC(C)(C(=O)Nc2cccc(-c3nnc(CC)o3)c2)C1 631570942 YTQWJDNFBYULPJ-UHFFFAOYSA-N 297.358 3.594 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](CC=C)c1ccccc1 466525259 AVAIZMLEIRJVSV-HOTGVXAUSA-N 257.377 3.817 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 285085297 SHLYJFNAEWDPRF-GOSISDBHSA-N 299.418 3.801 30 20 CHED CCN(CC)C[C@@H](C)Nc1cc(C#N)ccc1C(F)(F)F 475359210 CBYWNJIBUJCMEA-LLVKDONJSA-N 299.340 3.719 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1c1cc(C#N)ccn1 557673200 VGZPUNXCWLFRKG-WMLDXEAASA-N 277.371 3.726 30 20 CHED C=CCCc1noc(C[C@H](C)c2cccc(OC)c2)n1 297442578 WICNPQWGNINMES-LBPRGKRZSA-N 272.348 3.543 30 20 CHED N#CCCCC(=O)N(CCc1ccccc1)c1ccccc1 291333119 NQVVPGCCWBPZNL-UHFFFAOYSA-N 292.382 3.956 30 20 CHED C[C@@H](C#N)OCCNC1(c2c(Cl)cccc2Cl)CC1 801937981 BEMPGCVAASQHBY-JTQLQIEISA-N 299.201 3.501 30 20 CHED CCC(=NN[C@H]1CCSC1)c1ccc(Cl)s1 807998732 AFSCEIXXBSJPON-QMMMGPOBSA-N 274.842 3.611 30 20 CHED C=CCOCCN1CCC(F)(c2cccc(Cl)c2)CC1 559223751 PTOIVKWOTGTYHO-UHFFFAOYSA-N 297.801 3.803 30 20 CHED C#CC[C@@H](NC(=O)CCCC(=O)C(C)(C)C)c1ccccc1 295623297 ATDIGMNVPRFPSZ-MRXNPFEDSA-N 299.414 3.653 30 20 CHED N#Cc1cccc(CN2CCOc3c(Cl)cccc32)c1 473020981 BZHRJQBEFNMZJT-UHFFFAOYSA-N 284.746 3.611 30 20 CHED CC(C)c1cnc(SCc2ccc(F)cc2C#N)n1C 476552731 MYPWUONVNJHRKC-UHFFFAOYSA-N 289.379 3.847 30 20 CHED N#CCCCC(=O)N1CCC(CCc2ccccc2)CC1 291032622 XJAHJCVKDUNTRA-UHFFFAOYSA-N 284.403 3.552 30 20 CHED C=CCCCCCCNC(=O)C(C)(C)C1CCOCC1 805219112 WXBXRPRKLNZSTJ-UHFFFAOYSA-N 281.440 3.692 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1ccc(C(=O)O)cc1 567978819 TUDMCOGXRCKZPT-UHFFFAOYSA-N 295.338 3.905 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2ccc(C(F)(F)F)cn2)C1 800804897 LUHHHMVGRFNCSI-NXEZZACHSA-N 271.286 3.934 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 806265007 SRFQJNGPFYVRIN-NSHDSACASA-N 299.374 3.659 30 20 CHED N#CC1(C(=O)NC[C@H](c2ccccc2)C2CC2)CCCCC1 294434161 GMPJCGCPEGJUMY-QGZVFWFLSA-N 296.414 3.770 30 20 CHED N#Cc1ccc(=N[C@H]2CCCC[C@@H]2Cc2ccccc2)[nH]c1 476497824 WWSKIAYEYJFMQD-MSOLQXFVSA-N 291.398 3.589 30 20 CHED C=CCCc1noc([C@@H](C)OCc2ccc(F)cc2)n1 296230911 AJAQULJVMUWNMW-LLVKDONJSA-N 276.311 3.605 30 20 CHED Cc1ccc(-c2nnc(S)n2N=CCCC2CC2)cc1 807949474 ZBRISTRXNFMDMC-UHFFFAOYSA-N 286.404 3.566 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CCO[C@H](C)C#N 801925082 ZEEVJPWLDRRFAT-MCIONIFRSA-N 294.826 3.692 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(OC)c(OC)c1C 563334316 JIBICFAQYADXOU-CYBMUJFWSA-N 263.381 3.629 30 20 CHED N#Cc1cc[nH]c(=NCc2ccc(C3CCC3)cc2)c1Cl 561341186 SWOFPFBHNONAFJ-UHFFFAOYSA-N 297.789 3.908 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2cccnc2C#N)c1 567156772 ZTFPEUBLETVUJQ-CQSZACIVSA-N 265.360 3.613 30 20 CHED CC1(C)CCC[C@@H]1CNc1snc(Cl)c1C#N 814948809 GIFGEAWUIXGIQX-MRVPVSSYSA-N 269.801 3.906 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCCc3ccc(O)cc32)c1 812725035 UBCSUVSDLGPXDY-GOSISDBHSA-N 296.345 3.570 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 815665067 NPTITXBWEVRRHH-UHFFFAOYSA-N 285.347 3.586 30 20 CHED C=CCC(F)(F)C(=O)OCCCSC(C)(C)C 816005054 YHGQCONLNQXTJC-UHFFFAOYSA-N 266.353 3.663 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)o1 564556994 BLFBOQMIFOBMQE-YGRLFVJLSA-N 297.314 3.795 30 20 CHED CC[C@@H](C)Oc1cc(C=NOC2CCC2)ccc1OC 812238465 WHFKEPCPJBYMJP-GFCCVEGCSA-N 277.364 3.776 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CCC[C@H]1C 488974988 HBDVTGBUNDCGEK-RDTXWAMCSA-N 286.419 3.504 30 20 CHED C(=NNCCc1ccncc1)c1ccc(C2CCCC2)cc1 812230565 ZKKWBJUXLXGGOX-UHFFFAOYSA-N 293.414 3.905 30 20 CHED C[C@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CC1 567445075 FUFGLIUTEOGPNV-LLVKDONJSA-N 282.309 3.530 30 20 CHED Cc1cc(N2CCC(c3ccccc3)CC2)cc(C#N)n1 566931649 WRQJQJAJUSHEJK-UHFFFAOYSA-N 277.371 3.646 30 20 CHED CC(=NOC1CCCCC1)c1cccc(CN(C)C)c1 814909912 MSYLJBYMBXSYEI-UHFFFAOYSA-N 274.408 3.822 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1cnc2ccccc2n1 814830354 IGRYRTJMLVBZCR-LBPRGKRZSA-N 293.374 3.748 30 20 CHED Cc1nc(C(C)C)oc1COC(=O)c1cccc(CC#N)c1 813222152 DOODHNIKWLAAJS-UHFFFAOYSA-N 298.342 3.530 30 20 CHED COc1cccc(NN=C(C)[C@@H](C)CCCCC(=O)O)c1 814778616 OBYMBYRULSBEPW-LBPRGKRZSA-N 292.379 3.764 30 20 CHED C=CC(C)(C)CNCc1cccc(F)c1OC(F)F 657481272 MGDWHFVNTJHFLA-UHFFFAOYSA-N 273.298 3.729 30 20 CHED C=CCN(CCc1ccncc1C)Cc1cccs1 579587964 ONXZHJNMBYWYEP-UHFFFAOYSA-N 272.417 3.682 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N(C)CC(C)(C)C#N 817611207 FBUXRXWJJNFJLW-XFXZXTDPSA-N 290.794 3.751 30 20 CHED C#CCC1(OC(=O)[C@@H](C)c2cn(C)c3ccccc23)CCC1 810745394 OISOAAPJAACCRR-AWEZNQCLSA-N 295.382 3.771 30 20 CHED C=CCCCCCCCNC(=O)NC[C@@H]1CCC=CO1 811908824 YOYCICZDBGUPTK-HNNXBMFYSA-N 280.412 3.505 30 20 CHED CC(C)(CCC#N)CNCc1ccc2ccccc2c1O 816612330 MHNMWLWLGZVFST-UHFFFAOYSA-N 282.387 3.965 30 20 CHED CC(C)OCCON=C1CCC[C@@H]1c1ccccc1 812238929 JIYLYHKDTYYYPW-OAHLLOKOSA-N 261.365 3.752 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C(C)=O)s2)c1 728480840 QBBDCBMMTLBULV-UHFFFAOYSA-N 297.379 3.599 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)C1(c2ccccc2)CCCC1 481847974 QRSSGJHNVYNALE-SJLPKXTDSA-N 287.447 3.804 30 20 CHED CC(C)[C@@H](Nc1cc(C#N)ncn1)c1ccccc1Cl 575117153 HMMBSTBOSPROFT-OAHLLOKOSA-N 286.766 3.811 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1ccc(C(F)F)cc1 577453376 KGEQMEXXJDOLIW-LJQANCHMSA-N 285.359 3.813 30 20 CHED C=CCOC(=O)[C@@H](C)c1c(Cl)cccc1Cl 726029396 PTPDIQLQPANLBU-QMMMGPOBSA-N 259.132 3.826 30 20 CHED C=CCCCCN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 827601170 FFMWYVYYPNZYRU-OAHLLOKOSA-N 296.455 3.579 30 20 CHED Cn1ncc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)n1 821028099 ODAKWVRQNPXBMC-QXMHVHEDSA-N 295.386 3.759 30 20 CHED C=CCCC(=O)O[C@@H](C)c1nnc(-c2cccc(C)c2)o1 726649914 IYFSHCRHGBXMPM-LBPRGKRZSA-N 286.331 3.615 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc(C(C)C)c1)C(C)C 821513112 KYZCOKOTBYAPTJ-OAHLLOKOSA-N 258.365 3.589 30 20 CHED C=CC[C@H](C)C(C)=NNC(=S)Nc1ccccc1C 727776837 INECUWGBNOZVNX-NSHDSACASA-N 275.421 3.870 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 490005639 PNOAQGWRDKZSHM-GXTWGEPZSA-N 293.357 3.787 30 20 CHED Fc1ccc(-c2ccc(C=NNC3CCCC3)o2)cc1 727652962 YKAJWZDGTCKRJM-UHFFFAOYSA-N 272.323 3.952 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2cccc(C#N)n2)CC1 589460135 DZPQAIYGNWYKTL-KBPBESRZSA-N 299.418 3.678 30 20 CHED CC(C)(C)C(=O)N(O)Cc1cccc2ccccc12 901367347 BACOECPERIOORW-UHFFFAOYSA-N 257.333 3.604 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(C(F)F)CCCC1 583895715 WHKVODHCPLTNLW-NSHDSACASA-N 259.340 3.673 30 20 CHED COc1ccc(NC2CCC(C)(C#N)CC2)cc1F 823495734 YDMWWAPJXLVJJL-UHFFFAOYSA-N 262.328 3.719 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 497746243 QUGBMHGZRUQYFD-IRXDYDNUSA-N 284.403 3.576 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H]1CCc2c(Cl)cccc21 732506821 LYPRKMZMUMESFN-XHDPSFHLSA-N 294.778 3.852 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 490060380 PUWSZRMMVBBEOR-YLJYHZDGSA-N 297.442 3.999 30 20 CHED N#Cc1sccc1C(=O)NC[C@@H]1CCCCC(F)(F)C1 908335604 AAPQTJYPMYGPBC-SNVBAGLBSA-N 298.358 3.565 30 20 CHED C=CCCCCCn1nc(C)c([C@H]2CCCC(=O)N2)c1C 664095392 JNVPOZVQIXYMCY-OAHLLOKOSA-N 289.423 3.588 30 20 CHED C#C[C@@H](NC(=O)c1c(C)coc1C)c1ccc(Cl)cc1 491750766 IXVQOQBZSQUVHI-CQSZACIVSA-N 287.746 3.654 30 20 CHED C=CC[C@@H]1CCCN(CCCc2ccc(C)nc2)C1 668492572 CWKPZJNZSLTOQX-QGZVFWFLSA-N 258.409 3.611 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 491808993 XCCSZGRVTOSPQO-ZDUSSCGKSA-N 293.370 3.542 30 20 CHED CCC(=NN[C@H](C)C(F)(F)F)C1CCCCC1 835003418 YGSVPMMWPTZZAH-SECBINFHSA-N 250.308 3.873 30 20 CHED Cc1cc2c(cc1C)[C@@H](NCC(C)(C)C#N)CCS2 903101861 ODLARFVGNHABJN-AWEZNQCLSA-N 274.433 3.980 30 20 CHED C=CCC1(CNCc2csc(C(=O)O)c2)CCCC1 902267779 JAOCGSRILNODGQ-UHFFFAOYSA-N 279.405 3.672 30 20 CHED CC1(C)CN(C(=O)c2ccsc2C#N)[C@@H]1c1ccccc1 906389507 RULPSHYAKYQVPF-OAHLLOKOSA-N 296.395 3.843 30 20 CHED Cc1cc(C2OCCO2)c(C)cc1-c1cccc(C#N)c1 904765173 AZGVFGQUGLDFCQ-UHFFFAOYSA-N 279.339 3.888 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)CC1 734152533 OIMUMRCGBQIULW-QGZVFWFLSA-N 286.419 3.847 30 20 CHED C=CC(C)(C)COC(=O)c1cncc2ccccc12 835722899 JFWZGXPFCSULEK-UHFFFAOYSA-N 255.317 3.604 30 20 CHED Cc1cnc(C=NN2CCC(C(C)(C)C)CC2)s1 834974110 YBWZRDYWZMTALK-UHFFFAOYSA-N 265.426 3.544 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2cccc(F)c2)cc1 733321352 BITDBQBDBBMRIL-AWEZNQCLSA-N 283.346 3.689 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2c3ccccc3O[C@H]2C)c1C#N 583166581 YYHBURBQLJILRR-BONVTDFDSA-N 299.761 3.849 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1(C(F)F)CCCC1 589002620 NZHCPXLOGRPXOU-UHFFFAOYSA-N 293.317 3.566 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)c1)c1c(F)cccc1F 917262502 WGDBLKXVJPMXIX-SNVBAGLBSA-N 287.265 3.754 30 20 CHED C=CC[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccncc1 834590349 UHMITFREVVNWNS-CVEARBPZSA-N 280.371 3.682 30 20 CHED C=CCN(CCc1ccccc1)CC(F)(F)C(F)F 736621227 RPOUYKWTETVPCA-UHFFFAOYSA-N 275.289 3.618 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc(O)c(F)c2)c1 734979854 DQMUXIGTHHMINL-UTCJRWHESA-N 274.266 3.875 30 20 CHED Cc1ccc(CSCCc2ccc(C#N)cc2)cn1 596370460 RKHXMDLGOFKWBE-UHFFFAOYSA-N 268.385 3.738 30 20 CHED CC#CCOC(=O)c1ccccc1N(C)c1ccccc1 744783661 JRMWWPNQYOEHRV-UHFFFAOYSA-N 279.339 3.635 30 20 CHED CCC1(C/N=C\c2cc3ccccc3nc2O)CCOCC1 745976478 IRQQKRNOMLNDSU-UNOMPAQXSA-N 298.386 3.566 30 20 CHED C#CCC[C@H](C)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 839042391 KXTPUUWQEWXQEL-ZDUSSCGKSA-N 296.370 3.652 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cccnc1 916339237 HXIDEQBDVCDYEO-UHFFFAOYSA-N 253.349 3.843 30 20 CHED N#CCCCCNc1ccc(C(F)F)cc1[N+](=O)[O-] 596108271 SCYRKXWQHACRMB-UHFFFAOYSA-N 269.251 3.638 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccc(C#N)s1 748999747 SHZYCBUYZMWEQQ-SOFGYWHQSA-N 283.352 3.833 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)c(C)c1 917503581 OEOIGJZHVDSKHU-SFHVURJKSA-N 290.366 3.503 30 20 CHED C=C(C)COC(=O)CCC(=O)c1ccc(CC(C)C)cc1 915515626 YDLBLYZECWEFRV-UHFFFAOYSA-N 288.387 3.967 30 20 CHED N#CC[C@@H]1CCCN(CCOc2ccc3ccccc3c2)C1 595610402 XWSIKAQVHSKQMR-INIZCTEOSA-N 294.398 3.844 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H]1c1cccc(F)c1 748832338 GHWSTWPAMXBFED-KRWDZBQOSA-N 284.309 3.783 30 20 CHED CON=Cc1sc(Oc2ccccc2)nc1Cl 915957925 CFYGNWASMODCCK-UHFFFAOYSA-N 268.725 3.569 30 20 CHED C(=NNc1nccc2sccc12)c1ccsc1 915978459 CQNGDMGQCWEJRY-UHFFFAOYSA-N 259.359 3.804 30 20 CHED Cc1c(F)cccc1C(=O)N[C@](C)(C#N)C1CCCCC1 591510967 VXAQCVGNFZGVBA-QGZVFWFLSA-N 288.366 3.727 30 20 CHED Cc1ccc(F)c(C=NNc2ccc(Cl)nc2)c1 743450313 OYSUPRATGOGQGM-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CN(CC(C)(C)C#N)C(=O)CCC1CCCCCC1 594365175 WUGKBQZURSWEHM-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc2ccccc2n1 749809792 KEGAUPHVNANLIJ-UHFFFAOYSA-N 286.338 3.943 30 20 CHED C[C@@H]1CN(c2nc3c(cc2C#N)CCC3)Cc2ccccc21 916992870 COGDPFIRIOLIKB-CYBMUJFWSA-N 289.382 3.566 30 20 CHED CCCCCCCCCC(=O)N1CCO[C@@H](CC)C1 913180839 ZARBPBYXHWDCFW-HNNXBMFYSA-N 269.429 3.765 30 20 CHED CC(C)(C)OCCC/N=C/c1cc2ccccc2nc1O 849171842 GYVUGXPEPMZNIO-LDADJPATSA-N 286.375 3.565 30 20 CHED COc1ccc(O)c(/C=N/Cc2c(F)cccc2Cl)c1 745623953 CXKNAPGQXYARKB-QGMBQPNBSA-N 293.725 3.812 30 20 CHED CCCCCC(CCCCC)=NNS(=O)(=O)C(C)C 743439312 YLNIFJVIWFVTMU-UHFFFAOYSA-N 290.473 3.831 30 20 CHED Clc1cccc(NN=Cc2ccc(Cl)nc2)c1 748778482 MIOXTYFAZXUXOZ-UHFFFAOYSA-N 266.131 3.834 30 20 CHED C[C@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@@H](C)C1(F)F 599514858 LXJZZYYQZDYKSP-PHIMTYICSA-N 298.764 3.935 30 20 CHED CC1(C)CCC(=NNc2ccc(CC(=O)O)cc2)CC1 848415231 JTNWEMUGOXUGRK-UHFFFAOYSA-N 274.364 3.682 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cccc(O)c1 916286496 IPGBLJQJYLUSHZ-UHFFFAOYSA-N 277.327 3.777 30 20 CHED C#CCCOC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 744048874 DJUDVYASUUZVPR-LUAWRHEFSA-N 282.261 3.675 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc2c(c1)OCCO2 916346515 GFDUVGKQWZJUBC-UHFFFAOYSA-N 296.370 3.911 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C 593657541 KSOKCUUCJSPHTM-WCQYABFASA-N 298.308 3.655 30 20 CHED C=CCCCCSCC(=O)c1cc(C)[nH]c1C 591400983 HOKHRJYKJCRJEB-UHFFFAOYSA-N 251.395 3.904 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccccc2)oc1C 599083738 PHGHMIBVWWEWOK-ZDUSSCGKSA-N 296.370 3.877 30 20 CHED CN(C(=O)c1cc(C#N)c[nH]1)C1CC(C)(C)CC(C)(C)C1 596462619 MTHIKBKXBYXFSJ-UHFFFAOYSA-N 287.407 3.563 30 20 CHED C=C[C@@H](Cc1nc(-c2cccc(C)n2)no1)c1ccccc1 680734044 DJRKEKBNYOZCQT-AWEZNQCLSA-N 291.354 3.952 30 20 CHED CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccccc1)C(C)(C)C 598594496 KWDNRLVFWGUGJE-HOTGVXAUSA-N 288.435 3.664 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1sccc1-c1ccccc1 594099983 BBJOIZWPXGMCNX-ZDUSSCGKSA-N 284.384 3.789 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C(C)=C\CC 743690112 ZYILXMLQYJZELD-DHDCSXOGSA-N 257.377 3.600 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 925983550 PHIFKXCDUITECW-LBPRGKRZSA-N 289.379 3.995 30 20 CHED CO[C@@H]1CCCC[C@H]1/N=C\c1c(O)ccc2ccccc12 844272112 UQFPWZMFKPTAHF-GEGCAVGHSA-N 283.371 3.922 30 20 CHED CC(C)CC(=NOC1CCOCC1)c1ccc(F)cc1 844591815 UUMQKQDMYXEFOB-UHFFFAOYSA-N 279.355 3.772 30 20 CHED Cc1cc(C(F)(F)F)c(Sc2cccc(C#N)c2)nn1 758465597 NAJGSPMFMJPKIT-UHFFFAOYSA-N 295.289 3.827 30 20 CHED N#CCC[C@@H](C#N)CNc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 754886411 JKNCAOARLXEVPJ-MPGHIAIKSA-N 294.402 3.531 30 20 CHED Cc1cc(F)ccc1NN=Cc1occc1Br 750938646 KVAHJOHLDIASKY-UHFFFAOYSA-N 297.127 3.936 30 20 CHED C=CCN(C/C=C/C(=O)OCC)Cc1ccc(Cl)s1 756087968 XGAUHVNZIUBKAG-AATRIKPKSA-N 299.823 3.509 30 20 CHED N#C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1 751177409 BURCTIBRVIUPIR-GOSISDBHSA-N 291.350 3.741 30 20 CHED CCCCc1nc(C=NNc2ccccc2)c(Cl)[nH]1 755462820 VGVLZDALYJJDTE-UHFFFAOYSA-N 276.771 3.852 30 20 CHED O=C1/C(=C/c2cccc(F)c2)COc2c(F)cccc21 921265998 HGVAGAUVUMDPNN-YRNVUSSQSA-N 272.250 3.624 30 20 CHED C#C[C@@H](CC)NC(=O)c1sc(-c2ccccc2)cc1OC 754379850 YZSXCABNBWDFQC-ZDUSSCGKSA-N 299.395 3.565 30 20 CHED CCOc1ccc(/C=N\CCOc2ccc(C)cc2)c(O)c1 920942077 JPDVDBRCSYFVTQ-UYRXBGFRSA-N 299.370 3.597 30 20 CHED C=CCCN[C@H](c1cccnc1)c1cc(C)cc(C)c1 926682363 BSFPOEKWCRNQHJ-GOSISDBHSA-N 266.388 3.954 30 20 CHED Cc1ccc(C)c(CC(=O)OCc2ccc(F)c(C#N)c2)c1 758946238 PBLLPKLMPUHLQM-UHFFFAOYSA-N 297.329 3.600 30 20 CHED CCCc1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 752423340 GAXYWYSJZNOWEO-KRWDZBQOSA-N 285.391 3.797 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1cnc(C)s1 754863261 AAQSUBWUEPFTEN-UHFFFAOYSA-N 297.468 3.953 30 20 CHED N#Cc1cccc(NN=Cc2ccccc2C2CC2)c1 751130138 DEVLVHNEIXNFFE-UHFFFAOYSA-N 261.328 3.882 30 20 CHED CCC(=NNc1cnnc(O)c1Cl)C1CCCCC1 750932876 RUGOQPOWOCYWQU-UHFFFAOYSA-N 282.775 3.594 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)N(C)CCC#N)c21 932644758 SVBQLPQUBJGJGF-LBPRGKRZSA-N 285.391 3.849 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)c1ccc(C#N)s1 750395241 OSKZIFCDKLXEOA-GFCCVEGCSA-N 285.368 3.798 30 20 CHED CCCCCCCCNC(=O)c1cc(F)c(O)c(F)c1 762625708 MRUCFOMOISCMQQ-UHFFFAOYSA-N 285.334 3.761 30 20 CHED N#CC1(CCCCN2CCC[C@H]2[C@@H]2CCCOC2)CCC1 930811384 NIWPVJGGIFTKLJ-SJORKVTESA-N 290.451 3.742 30 20 CHED FC(F)(F)CON=Cc1cc2ccccc2s1 764844587 JLTLUVYSNADSCQ-UHFFFAOYSA-N 259.252 3.814 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(OCCC)cc1 767077049 BUTKFIGUBKXFMQ-UHFFFAOYSA-N 274.360 3.568 30 20 CHED CCCCCC[C@@H](C)NN=C(C)c1cscn1 767901220 QMUAFRVZUDTRDL-LLVKDONJSA-N 253.415 3.816 30 20 CHED C#CCCCSCC(=O)Nc1ccc(Cl)c(F)c1 863398075 MMQLYOIEARMMTN-UHFFFAOYSA-N 285.771 3.564 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(-c2nnc(C)o2)c1 933568852 FUQKPFQAWQHWSW-LBPRGKRZSA-N 285.347 3.586 30 20 CHED C[C@]1(C(=O)OCc2ccc(CC#N)cc2)C[C@H]2CC[C@H]1C2 860190097 OTCAIGFXKFUIKC-BQFCYCMXSA-N 283.371 3.622 30 20 CHED CC(C)N(CCC#N)Cc1cc(Cl)cc(Cl)c1O 768765574 VGCHCYOKJYHHHE-UHFFFAOYSA-N 287.190 3.823 30 20 CHED C[C@H](OC(=O)c1cnccc1Cl)c1ccc(C#N)cc1 762431191 ICQIVNSRIQLRSL-JTQLQIEISA-N 286.718 3.525 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc(F)cc2Cl)cc1 767742519 ATFRUACXBVIELU-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(F)cc1O 769827779 KGKFERIPAKSFMK-UHFFFAOYSA-N 276.286 3.815 30 20 CHED Cc1cc(C=NNc2ccc(Cl)cc2)ccc1C#N 766423548 BEGAIZDYDIULSN-UHFFFAOYSA-N 269.735 3.966 30 20 CHED C[C@@H](NN=Cc1ncccc1C(F)(F)F)c1ccccc1 765570500 CARBXGGGXDUIOO-LLVKDONJSA-N 293.292 3.785 30 20 CHED C#C[C@H](CC)OC(=O)c1csc(-c2ccc(F)cc2)n1 768048275 LZZBAIIIBQJPTK-GFCCVEGCSA-N 289.331 3.518 30 20 CHED CC(=C1CCC1)c1nnc(-c2cccc(C#N)c2)o1 1118433277 ROGGTUQWLFPQMI-UHFFFAOYSA-N 251.289 3.566 30 20 CHED N#Cc1ccc(C=NNc2cccc(Cl)c2)c(F)c1 772831093 RZWGCGUNYBSVFA-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C1\CC[C@H](C)C1 778985819 WEEDXPZIQVYEOD-MRPLLJTBSA-N 273.376 3.583 30 20 CHED CC1(C)C(=NNc2ccccn2)C[C@@H]1OCc1ccccc1 776759430 OOLDXSAQAPGGIF-INIZCTEOSA-N 295.386 3.865 30 20 CHED CCCCCCCNC1CCN(c2nccs2)CC1 776747218 QBMPXRWJXNDJCB-UHFFFAOYSA-N 281.469 3.672 30 20 CHED CC(=NOC1CCCCC1)c1ccccc1[N+](=O)[O-] 777457205 ONQYEKSVSZHWSP-UHFFFAOYSA-N 262.309 3.668 30 20 CHED COc1ccc2nc(NN=Cc3occc3C)c(C)cc2c1 777912657 BDGNMBIKVIPYFR-UHFFFAOYSA-N 295.342 3.899 30 20 CHED N#CCN(C(=O)c1ccc(Cl)cc1)c1ccccc1 57565733 RLWATPVAAZDGPG-UHFFFAOYSA-N 270.719 3.510 30 20 CHED Cc1cccc(Cl)c1NC(=O)[C@H](C)ON=C1CCC1 871733996 WALMYMRZBRYUAD-JTQLQIEISA-N 280.755 3.532 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(C)s1 777455229 AWRCKUQIFUUVSO-UHFFFAOYSA-N 251.273 3.750 30 20 CHED C#CCCCCCC(=O)N1Cc2ccccc2C[C@@H]1C 779960515 OXFSTHONILUXQE-HNNXBMFYSA-N 269.388 3.544 30 20 CHED N#CC1CCN(Cc2csc(C3CCCC3)n2)CC1 57872990 AGFSESLPUGMGBE-UHFFFAOYSA-N 275.421 3.536 30 20 CHED COc1nc2ccccc2cc1/C=C\C(=O)c1ccncc1 776187813 AYMOZKBEPYXWHQ-SREVYHEPSA-N 290.322 3.535 30 20 CHED C#CCCCCCC(=O)NCCc1ccccc1Cl 779880262 WYACJQSOVDLIDX-UHFFFAOYSA-N 277.795 3.582 30 20 CHED N#C[C@@H](OC(=O)/C=C\c1cccs1)C1CCCCC1 776361578 RDFVKNRQJZEREV-QIAWRQBBSA-N 275.373 3.777 30 20 CHED Clc1cscc1C=NNc1ncnc2sccc12 771883932 DTJIOGAFNDBOEX-UHFFFAOYSA-N 294.792 3.852 30 20 CHED C#CCOc1cccc(Cl)c1CNc1ccc(C)cn1 777732156 KHXBYHQBPGKOJH-UHFFFAOYSA-N 286.762 3.668 30 20 CHED CC(C)CNN=Cc1ccc(Cl)c(C(F)(F)F)c1 771557695 KNYNXMGSBCXIHR-UHFFFAOYSA-N 278.705 3.938 30 20 CHED C=CC[C@H](N[C@H]1CCCc2occc21)c1ccncc1 774189858 LGCIYQXRROZIAF-HOTGVXAUSA-N 268.360 3.959 30 20 CHED C=C1CCC(C(=O)OCc2sc(C)nc2C)CC1 885652288 QNENJARXLXISKZ-UHFFFAOYSA-N 265.378 3.550 30 20 CHED C=C(CC)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 1123589423 ODLSOHRIJPTPKS-GFCCVEGCSA-N 257.333 3.918 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc(C(=O)O)cc1 783769694 IFFPRKQLWUICQR-DGCLKSJQSA-N 260.337 3.609 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc([C@@]2(C)COC(=O)N2)c1 883328317 PIPGADUBAONENP-OGHNNQOOSA-N 288.391 3.654 30 20 CHED C[C@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(C#N)c1 784403228 HEAXIPKJQSNSAN-ZDUSSCGKSA-N 290.322 3.542 30 20 CHED C=C(CC)C(=O)Nc1ccccc1SC(F)F 1123582938 OZYOYZUHZLFHBM-UHFFFAOYSA-N 257.305 3.906 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1ccnc(Cl)c1 782195464 YXPRMADLVSKDBF-YHYXMXQVSA-N 289.693 3.533 30 20 CHED C[C@@H]1CCC(=NNc2nc(O)c3ccccc3n2)[C@H](C)C1 783855408 MCVNKIGHYMQQIK-GHMZBOCLSA-N 284.363 3.559 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc(C#N)cc2CO)s1 891963835 MIZKVFKBEXTFFC-LLVKDONJSA-N 272.373 3.594 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)ccc1F)c1ccccc1F 1129715915 UOKKRNSXYKAALE-JTQLQIEISA-N 286.281 3.579 30 20 CHED C#CCCCCCC(=O)Oc1ccc2cnccc2c1 893835398 KVHSRBMFPCQEGV-UHFFFAOYSA-N 267.328 3.724 30 20 CHED COC1CCC(=NNc2ccc3ccccc3n2)CC1 783776642 CYLUXGNYSNCTQW-UHFFFAOYSA-N 269.348 3.592 30 20 CHED C[C@@H](C(=O)OCc1ccc(Cl)cc1C#N)C(C)(C)C 780037823 WFVQJDNSABDTTD-JTQLQIEISA-N 279.767 3.937 30 20 CHED Fc1ccc(CNN=C2CCC23CCCC3)cc1F 788711652 GKTDTDMQOTZDMQ-UHFFFAOYSA-N 264.319 3.765 30 20 CHED C=C1CC(c2noc(-c3cnn(CCC(C)C)c3C)n2)C1 896882481 LUYWXEBJHIINRH-UHFFFAOYSA-N 286.379 3.721 30 20 CHED Cc1c(C(=O)N[C@]2(C)CC2(C)C)sc2ccc(C#N)cc12 1131305281 IHAQEOJVBBTIJV-QGZVFWFLSA-N 298.411 4.000 30 20 CHED Clc1cncnc1NN=C1C[C@@H]2CCCc3cccc1c32 780279790 QOAOZUSXCRCYGD-NSHDSACASA-N 298.777 3.770 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc([N+](=O)[O-])c1Cl 890437626 JYQTYPBSTPHIEJ-UHFFFAOYSA-N 282.727 3.789 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)cn2)cc(C)c1F 783299217 AIXLQMNSMCGWMN-ZDUSSCGKSA-N 283.350 3.560 30 20 CHED CCc1ccc(C(C)=NN[C@H]2CCOC(C)(C)C2)s1 780247084 OZWAGOSBQZLDFV-LBPRGKRZSA-N 280.437 3.582 30 20 CHED COc1cccc(/C=N\C[C@H](SC)C(C)(C)C)c1O 783682154 RQLPBQAMFQHKEZ-LWLPBDFMSA-N 281.421 3.597 30 20 CHED COc1cc(C=NOCCCCCF)ccc1OC(C)C 789577422 ULLOQBWIFXRWPD-UHFFFAOYSA-N 297.370 3.973 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNCCc1ccncc1 789094778 YZDDSZHJBXNOMX-UHFFFAOYSA-N 287.794 3.518 30 20 CHED C=CCCCCNCc1c(O)ccc(Cl)c1F 790990235 JYHDHZZZHXLUCD-UHFFFAOYSA-N 257.736 3.631 30 20 CHED C=C1CC(c2noc([C@@H](C)OCCc3ccccc3)n2)C1 896876333 DNPIXCQZURWDBJ-CYBMUJFWSA-N 284.359 3.824 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C\C(=O)c1ccc(O)cc1 794927979 UIXHCVPESLUVNA-YVMONPNESA-N 296.322 3.603 30 20 CHED COc1ccccc1CON=C1CCC[C@@H]1CCF 794936622 BVLCQMBVNMMQML-GFCCVEGCSA-N 265.328 3.728 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCCC[C@H]2C)c1 1206298535 WVDYDBWHWMRUCD-HIFRSBDPSA-N 285.391 3.815 30 20 CHED Cc1cc2cc(C/N=C/c3cccc(O)c3O)ccc2[nH]1 794689265 SIJUCORLISXOOG-VCHYOVAHSA-N 280.327 3.507 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1cccc2ccccc12 797800658 JXTYUUAUUZVOIK-UHFFFAOYSA-N 277.279 3.832 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccnn2C(C)C)c1 794933701 LHFSDDHACIISCZ-BQYQJAHWSA-N 268.360 3.977 30 20 CHED CC(C)(C)CCCN1C(=O)CS/C1=C\C(=O)C(C)(C)C 799173234 CUKNQCFVFBDHQF-UVTDQMKNSA-N 297.464 3.845 30 20 CHED Cc1cccc2[nH]cc(CC(=O)OCC#CC(C)(C)C)c12 798889372 IZKMCCPOGFDRPU-UHFFFAOYSA-N 283.371 3.612 30 20 CHED C=C(C)COC(=O)Cc1coc2c(C)c(C)ccc12 794245024 SVNOZZXZROJMQS-UHFFFAOYSA-N 258.317 3.711 30 20 CHED Oc1ccc2c(c1)C(=NNc1ncccc1Cl)CCC2 794495832 GCUQYNHBEZFARS-UHFFFAOYSA-N 287.750 3.593 30 20 CHED C=CCC[C@H](C(=O)NOC[C@H](C)CC)c1ccccc1 794869631 IVEYFQQVKUEHHV-ZBFHGGJFSA-N 275.392 3.830 30 20 CHED Cc1cc(Cl)ccc1CN1CCC[C@H](CC#N)C1 595621632 XCRBWHLPCLCTIY-CYBMUJFWSA-N 262.784 3.774 30 20 CHED C[C@@H](CCOCc1ccccc1)N[C@@H](C)CC(C)(C)C#N 695864678 NSMOVOBRGCSBNY-HOTGVXAUSA-N 288.435 3.900 30 20 CHED CC1(C)CCCN(Cc2cc(C#N)ccc2F)CC1 87657801 VBOCYKYHTJRRRP-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=C(Cl)CN1CCC[C@H](c2ccc(F)c(F)c2)C1 1307955822 FTEBORFHZZQAKJ-LBPRGKRZSA-N 271.738 3.897 30 20 CHED N#Cc1cncc(Nc2ccc(CCC(F)(F)F)cc2)n1 1306988061 KCGFURNZVKMUQV-UHFFFAOYSA-N 292.264 3.587 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N(C)Cc1cccc(C#N)c1 1307543665 MZRCDGCWOYXMME-SJORKVTESA-N 286.419 3.584 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CC(C)(C)Cc3oc(C)cc32)n1 1162163422 ZKXAOJJVESCKDI-CQSZACIVSA-N 296.374 3.684 30 20 CHED CC(C)(C)c1ccc(NN=C/C=C/c2ccccc2)nn1 1318680915 BVIHAYAGUHYIEV-XKBVOMFJSA-N 280.375 3.885 30 20 CHED Cc1[nH]c2ccccc2c1CCNc1cccc(CC#N)n1 1320359377 FPHIACOPKPWVKZ-UHFFFAOYSA-N 290.370 3.592 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2cccc(F)c2F)o1 1320816782 MJPNPEVJXWWLNA-NSHDSACASA-N 293.313 3.515 30 20 CHED Cc1c(C#N)cccc1C(=O)Oc1cccc2ncccc12 1327103100 XFQQGEXDILCLEJ-UHFFFAOYSA-N 288.306 3.634 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 1321236345 AMOPRMJQPWJARC-QANKJYHBSA-N 296.414 3.908 30 20 CHED C=CC[C@@H]1N(C(=O)NCCCC(F)F)CCCC1(C)C 1335193539 MRWSIZSVDOHWMA-LBPRGKRZSA-N 288.382 3.808 30 20 CHED C#C[C@H](NC(=N)Nc1ccccc1C)c1ccc(Cl)cc1 1333055451 JKGPZBKMQLNPMH-HNNXBMFYSA-N 297.789 3.959 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1cc(C#N)cc(Cl)n1 1339661234 STVHSCPSPDHYAO-QMMMGPOBSA-N 277.677 3.750 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C=C1CCSCC1 1334246208 FWGQNSOIWQJOHQ-UHFFFAOYSA-N 292.791 3.604 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)nc(C)c1 1335786331 PXASRXOUGUWEEZ-UHFFFAOYSA-N 260.381 3.517 30 20 CHED C=C[C@@H](OC(=O)[C@H]1CCOC(C)(C)C1)c1ccccc1 1346490161 YZVFKENICYLNAI-LSDHHAIUSA-N 274.360 3.662 30 20 CHED CC1(CCC(=O)[C@@H](C#N)c2nc(C3CC3)cs2)CC1 1348670246 QXQBWNVYFRJYAR-LLVKDONJSA-N 274.389 3.777 30 20 CHED Cc1cc(C)cc(C2(C(=O)O[C@H]3CC[C@H](C#N)C3)CC2)c1 1342576757 XTIPZZSCRNIQOR-HOCLYGCPSA-N 283.371 3.571 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC2CCC1CC2 1272912425 PEZPPOOEJLXYCR-LDZOIKDWSA-N 296.370 3.526 30 20 CHED CC/C(=C\C(=O)N(C)[C@H](C)CC#N)c1cccc(Cl)c1 1355124857 BWGOWSIUTXNDIW-RVROTUBLSA-N 290.794 3.894 30 20 CHED Cc1cccc(C(=O)O[C@H](CC#N)c2ccco2)c1C 1350312459 VTNSVABMCNUWSA-OAHLLOKOSA-N 269.300 3.708 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 140167729 QOHJUOIFKYHXNK-UHFFFAOYSA-N 282.343 3.783 30 20 CHED C=C[C@H](CC)CC(=O)O[C@H](C)c1cccc(NC(C)=O)c1 1357266053 VMCPFCYGOAFLBE-TZMCWYRMSA-N 289.375 3.852 30 20 CHED C=C(CC)C(=O)Nc1cccc(CC(F)(F)F)c1 1519676391 BWYSMDKGSQNBRS-UHFFFAOYSA-N 257.255 3.696 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(O)c1 1527645861 ACVCDKVYFLGAQJ-UKRRQHHQSA-N 288.391 3.593 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1ccc(F)cc1F 1520762247 ZCTLGQONWPAFTI-UHFFFAOYSA-N 267.319 3.526 30 20 CHED C=C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)O 1602828291 ZXXCCDZSKRJGTC-MRVPVSSYSA-N 263.145 3.725 30 20 CHED C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(C)C1CCC1 1539802847 ADTJLTRGDIUEMK-UHFFFAOYSA-N 296.846 3.608 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc2occc2c1 1535413795 LYNAUXSIVZHNBC-UHFFFAOYSA-N 276.295 3.865 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCc1ccccn1 1472642373 XVLXZDKANUEGBZ-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CCC[C@@H](NC(=O)Nc1cccc(C#N)n1)c1ccccc1 1476791087 AHEIHLHLJJNSTH-OAHLLOKOSA-N 294.358 3.616 30 20 CHED CC(C)CN(C[C@@H](O)c1cccc(C#N)c1)CC(C)(C)C 1559651746 RZFKBIHOPUNNHW-QGZVFWFLSA-N 288.435 3.596 30 20 CHED N#Cc1nc(Sc2ccc(F)cc2)sc1Cl 1639160194 KRXUPZWRKDVPSX-UHFFFAOYSA-N 270.741 3.958 30 20 CHED N#CC[C@H](C(=O)N1CCCC2(CCCC2)C1)c1ccccc1 1638833501 QXGKYRSCQRXJBN-KRWDZBQOSA-N 296.414 3.867 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](C)c1ccc(C)cc1 119566763 ZOFKDHVNNMQWKI-HNNXBMFYSA-N 257.377 3.708 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)Nc1ccc(C#N)c(C)n1 1651232569 MWJXLTBNBOXYIN-INIZCTEOSA-N 283.350 3.834 30 20 CHED Cc1cccc2oc(C(=O)O[C@H]3CCC[C@H](C#N)C3)cc12 1596978907 QZZSSBYEDOJZIV-STQMWFEESA-N 283.327 3.980 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2ccc(CC#N)cc2)c1 1672506301 XOSUMQOKIUTOTN-UHFFFAOYSA-N 293.370 3.691 30 20 CHED C=CCc1ccccc1CN[C@H]1CCC[C@@H](C(=O)O)CC1 1776189705 ROXATLWLGCPRAL-WBVHZDCISA-N 287.403 3.538 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(=O)O)s2)cs1 1777418540 UEGOROLTMCVRQP-RQOWECAXSA-N 278.354 3.712 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)c1ccc(C)s1 1776073780 NUUDRAHWHZPGFX-UHFFFAOYSA-N 292.335 3.730 30 20 CHED Cc1ccc(C)c(C=NNc2ccc(C(=O)O)c(F)c2)c1 1776073260 LGDKYVWNDAVBLS-UHFFFAOYSA-N 286.306 3.587 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](c2ccccc2OC)C1 150798390 LEYZGUYCKAGKMP-INIZCTEOSA-N 299.414 3.780 30 20 CHED O=C(/C=C/c1ccn(-c2ccccc2)n1)c1ccc(F)cc1 160793219 BHHJGCHKVNRQNB-ZHACJKMWSA-N 292.313 3.908 30 20 CHED CC1(CC(=O)Nc2ccccc2C#N)CCCCC1 163140819 NYPZKEOPFVHXAP-UHFFFAOYSA-N 256.349 3.857 30 20 CHED N#Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1Cl 153535846 KQQBAMMNTKOGIZ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=C(Cl)C[S@@](=O)[C@@H]1CCc2c(Cl)cccc21 154001616 YAPFJSKVCBADNO-WBMJQRKESA-N 275.200 3.829 30 20 CHED CCCc1cc(C(=O)N(CC#N)C2CCCC2)sc1C 125034704 GEXZWCQTAYMGMO-UHFFFAOYSA-N 290.432 3.917 30 20 CHED C=C(Br)COc1ccc(Cl)cc1F 307622153 KPTZBCFTULVVEV-UHFFFAOYSA-N 265.509 3.767 30 20 CHED N#Cc1ccc(COc2ccccc2C#N)c(Cl)c1 162974831 QEICKJOKMHYNGS-UHFFFAOYSA-N 268.703 3.662 30 20 CHED CCc1cccc(NC(=O)C2(C#N)CCCCC2)c1 44385420 AHEUJHIZTCLUPB-UHFFFAOYSA-N 256.349 3.662 30 20 CHED Cc1ccsc1CN(C)Cc1cc(C#N)ccc1F 53906508 PPDLQIRLTLPWIS-UHFFFAOYSA-N 274.364 3.699 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1O 309546673 HAXIXPJHINWEKN-JGVFFNPUSA-N 260.164 3.924 30 20 CHED C[C@H]1CCSCCN1Cc1ccc(C#N)cc1Cl 348149534 KAKUQQDKRFGLAU-NSHDSACASA-N 280.824 3.539 30 20 CHED COc1cc(C#N)ccc1OC[C@@H]1CCC[C@@H](C)C1 311618171 WUFNRDIUBDHYCZ-TZMCWYRMSA-N 259.349 3.772 30 20 CHED N#CCc1cccc(N[C@H]2CCc3ccccc3C2)c1 313420059 BSYPXOHXVDOPEV-SFHVURJKSA-N 262.356 3.722 30 20 CHED C=C(C)CN1CCC2(CC1)CCN(Cc1ccccc1)C2 534963318 WSPIDHHLERKQLR-UHFFFAOYSA-N 284.447 3.551 30 20 CHED C[C@@H](c1ccccc1)N(C)c1ncc(C#N)cc1Cl 358872548 RHQASJMUZWAIEM-NSHDSACASA-N 271.751 3.804 30 20 CHED CC[C@H](C)[C@@H](CNc1cccc(Cl)c1C#N)OC 381303339 RIORIEDUQHNXPW-IINYFYTJSA-N 266.772 3.685 30 20 CHED C=C(C)CCN[C@H]1CCSc2c(F)cccc21 386816467 SPKPXBPKXRLGDZ-ZDUSSCGKSA-N 251.370 3.918 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC)cc1Br 393815172 WEOODBVXCCHOGY-GFCCVEGCSA-N 298.224 3.902 30 20 CHED N#CCOc1ccc(N[C@@H]2CCCC23CCC3)cc1 394742218 SBSVRHOGFJIHPR-OAHLLOKOSA-N 256.349 3.724 30 20 CHED CC(C)[C@@H](CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 103078498 STTSDCKDRWICCP-SJLPKXTDSA-N 286.419 3.871 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 179716211 JWNGEEPZLCUNLR-GFCCVEGCSA-N 295.329 3.659 30 20 CHED O=C1/C(=C\c2cnc3ccccn23)Cc2cc(Cl)ccc21 172819601 FGGINPPGZHZOEV-XFXZXTDPSA-N 294.741 3.810 30 20 CHED CC[C@]1(C)CCCN(Cc2cc(F)ccc2C#N)C1 345776014 SAYZFXBUAHNAEE-MRXNPFEDSA-N 260.356 3.709 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(Cl)cc1 57158024 MAUAHCOOHJYTBW-LBPRGKRZSA-N 281.783 3.532 30 20 CHED N#CCCCCNC(=O)Nc1ccc(SC(F)F)cc1 170902158 HMKNXEBRTLSFGG-UHFFFAOYSA-N 299.346 3.817 30 20 CHED CCCCCCCC(=O)N1CCc2sccc2C1 104984369 ZHFTWCUHUIVXBR-UHFFFAOYSA-N 265.422 3.993 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC)c1cccc(Cl)c1 341876386 JOFGBMMZGQGXAI-DOMZBBRYSA-N 267.800 3.565 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1C1CCCC1 56034466 HCUOWWFKXPJQDB-IENJSVCTSA-N 294.398 3.753 30 20 CHED N#CCCCOC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 170819892 YJHKGBDPINVZEA-QWRGUYRKSA-N 298.169 3.944 30 20 CHED CCCC[C@@H](CC)CC(=O)NCc1ccc(C#N)cc1 172167642 LIZMTOQJWFAYJQ-CQSZACIVSA-N 272.392 3.781 30 20 CHED N#Cc1c(F)cccc1OCc1cccc2cccnc12 115352911 NOVIWJACPIEKDD-UHFFFAOYSA-N 278.286 3.825 30 20 CHED Cc1ccc(C#N)c(NCc2cc3ccccc3o2)n1 179758846 BJUZMMTYTGANKF-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(C#N)c1 174194809 NCVGAZGXGLUUFG-CQSZACIVSA-N 294.354 3.602 30 20 CHED C/C(=C\C(=O)O[C@H](C#N)C1CC1)c1cccc(Cl)c1 176064196 BXBBYJCSQOTZPI-DNGMOHDESA-N 275.735 3.589 30 20 CHED N#Cc1ccc(CN2CCS[C@H]3CCCC[C@H]32)c(F)c1 246153409 PLYBWUOTFOEZQH-CVEARBPZSA-N 290.407 3.557 30 20 CHED CC(C)Oc1ccc([C@@H](C)NCCCSCC#N)cc1 179534636 TXMUZGASXUMXOA-CQSZACIVSA-N 292.448 3.771 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1ncc(C)s1 177877991 LWGAPFOUEFULII-GFCCVEGCSA-N 268.426 3.989 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)Cc2ccc3ccccc3c2)C1 179946375 YVLNPLCBBDDDJY-YOEHRIQHSA-N 279.339 3.618 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(OC)cs1 176487564 RVNPJPWXKAMISP-UHFFFAOYSA-N 293.413 3.647 30 20 CHED CC(=O)c1ccc(OCCCC(C)(C)C#N)cc1F 177296366 GAXUXZZEYJTKQF-UHFFFAOYSA-N 263.312 3.737 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCC[C@H]1C1CC1 412479914 RXOVLXTVHDHPEW-CVEARBPZSA-N 261.409 3.697 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc(-c3ccccc3)[nH]2)C1 179937912 CJYAVDFVONGQIU-JSGCOSHPSA-N 280.327 3.531 30 20 CHED CCCC(C)(C)NCc1ccc(N(C)CCC#N)cc1 111387391 GCEYLUCWIJDQME-UHFFFAOYSA-N 273.424 3.705 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)Nc1cccc(C#N)c1 354760189 IUWNEEQTXFEKEQ-TYNCELHUSA-N 271.364 3.504 30 20 CHED C[C@H](Cc1cccs1)N(C)c1snc(Cl)c1C#N 301749141 SVZGTVCEFXRDRU-MRVPVSSYSA-N 297.836 3.797 30 20 CHED CCc1nnc(NC2C[C@H](C)C[C@@H](C)C2)c(C#N)c1CC 124988045 VYPJLRXRMQYJOR-VXGBXAGGSA-N 286.423 3.710 30 20 CHED C=CCCCC(=O)N1Cc2ccccc2C[C@@H]1CC 186400545 HBPMLJUMDBKFBG-INIZCTEOSA-N 257.377 3.706 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cncc(C)c1 470912441 GAGKHFREGJYIRM-UHFFFAOYSA-N 266.388 3.968 30 20 CHED CC(=O)c1ccccc1OCCCOc1ccc(C#N)cc1 125241345 OASOTIBLISHLCS-UHFFFAOYSA-N 295.338 3.609 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(CC#N)cc2)C1 76083600 BBGKIAFSEAJWGG-BBRMVZONSA-N 285.391 3.795 30 20 CHED N#CCCCCNc1ccc(C(F)(F)F)c(C#N)c1 184022928 QZONYSRKULUFHK-UHFFFAOYSA-N 267.254 3.683 30 20 CHED N#Cc1cc(NCCC[C@H]2CCOC2)ccc1C(F)(F)F 402384996 PLOOWZQVPFUGEG-NSHDSACASA-N 298.308 3.806 30 20 CHED CC[C@]1(C)CCCN(c2c(C#N)nnc3ccccc23)C1 78559356 ZLMHAJQGNDIEOC-QGZVFWFLSA-N 280.375 3.518 30 20 CHED C=CCC[C@@H](C)NC[C@@H](c1ccc(C)o1)N1CCCC1 185298368 CQJWWHCOEHYHKF-ZBFHGGJFSA-N 276.424 3.669 30 20 CHED Cc1ccc(F)cc1C(=O)[C@H](C#N)c1nc2ccccc2o1 73977154 RHOYMZMOWJEPOP-ZDUSSCGKSA-N 294.285 3.765 30 20 CHED CC(C)CCN(CCC#N)Cc1cnc(Cl)s1 79325966 AFPMVTJNDZDWQH-UHFFFAOYSA-N 271.817 3.558 30 20 CHED C[C@H](NCCCOC1CCCCC1)c1cccc(C#N)c1 37237358 QFGDQCXYDVYUGF-HNNXBMFYSA-N 286.419 3.948 30 20 CHED Cc1ccc([C@@H]2CCCN2c2ncccc2C#N)cc1 30775269 GUKCSFIRKRZAFD-INIZCTEOSA-N 263.344 3.603 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)s1 120920573 OZTWAOOJWKISBK-GQCTYLIASA-N 262.305 3.797 30 20 CHED CC(C)(C)Cc1csc(NC(=O)CC(C)(C)C#N)n1 503958926 AAGXSKKMLPNOAA-UHFFFAOYSA-N 279.409 3.610 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 504571140 RJPAWHGUUUUDGF-LJISPDSOSA-N 251.414 3.920 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2=CCCCCC2)n1 122662860 QDPXTSUDZATVHA-GFCCVEGCSA-N 260.362 3.518 30 20 CHED CCN(CC)c1ccc(N[C@H](C)c2cccc(C#N)c2)cn1 315399618 HLLHHQGSDSLMRW-CQSZACIVSA-N 294.402 3.973 30 20 CHED CC1(C)C(C(=O)N[C@@H](C#N)c2ccccc2Cl)C1(C)C 505667604 ZZWVUZIJJPPUBN-LBPRGKRZSA-N 290.794 3.703 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cccn1C(C)C 120830511 VMRPYQHHNCUPTN-UHFFFAOYSA-N 296.414 3.940 30 20 CHED Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)c(C)o1 37131494 FEINEPXCLWEDOA-JTQLQIEISA-N 285.303 3.849 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)OC1CCCCCC1 410124462 WOFMSAWJGAYRON-KGLIPLIRSA-N 267.413 3.585 30 20 CHED N#CCSCCCN1CCC[C@@H]1c1ccc(F)cc1 74980895 CBQKUFIAMFGIRN-OAHLLOKOSA-N 278.396 3.609 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccco1 181393702 BISUTJHEJCVOJZ-OLZOCXBDSA-N 264.369 3.727 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](CCC)c1ccccn1 503937413 RMXBINLFBMWATH-CABCVRRESA-N 274.408 3.826 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(CCCCC#N)C1 76388744 OPILUYLYSLHOAM-HOTGVXAUSA-N 256.393 3.867 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(C#N)cc1C 131506591 PGYNMGQQUPDUEU-UHFFFAOYSA-N 269.344 3.678 30 20 CHED Cc1nc2ccc(N=C(O)[C@H]3CCC(=O)[C@@H](C)C3)cc2o1 328906054 KLNZYLFXIWCTGR-ONGXEEELSA-N 286.331 3.730 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)c1ccc(CC)cc1 410827607 LMQQJVNFPFNIAH-CZUORRHYSA-N 272.392 3.503 30 20 CHED C[C@@]1(C/N=C(/O)Nc2cccc3ccsc23)CCCO1 328782035 JOUKJHJEHIWHOJ-HNNXBMFYSA-N 290.388 3.796 30 20 CHED COCc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 132415088 VRONQQLXKNTOLU-MDZDMXLPSA-N 297.310 3.637 30 20 CHED Cc1ncc(N=C(O)[C@H]2C[C@@H]2C2CCCCC2)cn1 329585130 RCHYZQHKIVEIJR-KGLIPLIRSA-N 259.353 3.589 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@@H]1CCCC[C@@H]1C 329145187 ACDYQTALADYILY-JOYOIKCWSA-N 293.436 3.909 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(CC)c(C)s1 190775477 UPLSFKUCXIOWQE-ZDUSSCGKSA-N 252.383 3.555 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cccc2cc[nH]c12 507235192 TXIRMYVBWLWUMI-UHFFFAOYSA-N 275.355 3.672 30 20 CHED Cc1nc2ccc(N=C(O)[C@H]3CCC(=O)[C@H](C)C3)cc2o1 328906052 KLNZYLFXIWCTGR-KOLCDFICSA-N 286.331 3.730 30 20 CHED CCCc1nnc(/N=C(\O)C(F)(F)c2ccccc2)s1 44328626 NSKAMMSUBMNSNZ-UHFFFAOYSA-N 297.330 3.871 30 20 CHED CCC1(CC)CCN(C(=O)NCC(C)(C)CCC#N)CC1 513118555 MLFXWLIAWBXPNT-UHFFFAOYSA-N 293.455 3.928 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C2CCCC2)cc1 329571380 MPVSUABKPLUECU-SJORKVTESA-N 282.387 3.766 30 20 CHED CCCc1[nH]ccc1C(=O)N[C@@H](C#N)c1ccc(CC)cc1 421913969 SPEKXENNJOWMQK-KRWDZBQOSA-N 295.386 3.524 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1ccccc1OCC#N 194106100 BQOCCWYWVJUUFK-CQSZACIVSA-N 288.391 3.534 30 20 CHED N#Cc1cc(F)ccc1CNC1(C(F)F)CCCCC1 510108060 HYPUEOTVBUYNOM-UHFFFAOYSA-N 282.309 3.755 30 20 CHED C=CCN1CCC(NCC2CCC(C(C)C)CC2)CC1 512014666 LWYOYNQQSFGEKF-UHFFFAOYSA-N 278.484 3.689 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)c1cc(C#N)cs1 84095701 KNHDOUCZSUSJDJ-HNNXBMFYSA-N 298.411 3.761 30 20 CHED N#Cc1cccc(SCc2ncc(Cl)s2)c1 336082022 LNPMTYIWTQCHMJ-UHFFFAOYSA-N 266.778 3.960 30 20 CHED N#Cc1ccncc1C(=O)Nc1ccc(Cl)cc1Cl 334483622 YMVMWHGAMVVBCL-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1cc(C)cc(C)c1)OCC 339206136 WIGZHVDFYUHTAW-MRXNPFEDSA-N 275.392 3.638 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2cc(C#N)cs2)c1 84085017 CYGYPUBCDZKXCZ-UHFFFAOYSA-N 270.357 3.513 30 20 CHED N#Cc1cc(-c2cccc(C(=O)O)c2)cc(C(F)(F)F)c1 519776552 QFVCVZNBXVMPSJ-UHFFFAOYSA-N 291.228 3.942 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@@H](C(C)C)C1 230997915 JSLICQSZQVWQCB-VXGBXAGGSA-N 260.219 3.699 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc2cccnc12 337771789 VVMUYKPMTZYLKA-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@H]3CCC[C@@H]32)cc1 92485560 IVTZHNYOHHRNNX-KYJSFNMBSA-N 284.403 3.742 30 20 CHED C=CCCC1(C(=O)N(C)C2CC(OC(C)(C)C)C2)CC1 421691424 YOEMPRVGZMFKGA-UHFFFAOYSA-N 279.424 3.537 30 20 CHED COc1cc(Cl)c(Cl)cc1NC[C@H](C#N)CCC#N 515833677 LPHATIJIOSBHIZ-VIFPVBQESA-N 298.173 3.857 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(CC#N)C2CCCC2)o1 93563288 MEXKCHSXTXPGDE-DOMZBBRYSA-N 258.365 3.671 30 20 CHED CCN(Cc1ccc(N2CCCCC2)cc1)C[C@H](C)C#N 91982519 IPVYJCNFMKFILR-MRXNPFEDSA-N 285.435 3.658 30 20 CHED CC1CCC(C)(NC(=O)[C@@H](C#N)CCc2ccccc2)CC1 331209849 XAOKXDCCTSFSBU-URSIVYNOSA-N 298.430 3.844 30 20 CHED CC1(C)SC[C@H]1N[C@H]1CCCCc2cc(C#N)ccc21 338794436 PMXOHZUIHISYTC-JKSUJKDBSA-N 286.444 3.809 30 20 CHED CC[C@@H](C)n1ncc(N/C(O)=N/CC2(C3CC3)CC2)c1C 330142813 YMFMGIHJBBSKFQ-LLVKDONJSA-N 290.411 3.679 30 20 CHED Cc1cccc(C)c1NC(=O)N1CCC(CCC#N)CC1 335471294 SMYADMZIZLHRDP-UHFFFAOYSA-N 285.391 3.851 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc2ncsc2c1 337870657 NMHOUHYGNHSKCJ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#CC1(CN2CC[C@](F)(c3cccc(Cl)c3)C2)CC1 338372839 UYIIBIOGDXMCDB-OAHLLOKOSA-N 278.758 3.514 30 20 CHED C[C@H]1c2ccccc2CN1C(=O)[C@H](C)c1cccc(C#N)c1 335707295 YKGXZYOPIGQDGB-KGLIPLIRSA-N 290.366 3.765 30 20 CHED Cc1cc(C#N)ccc1OCc1ccc(C#N)cc1Cl 527119878 PYMSIPITOMDDNR-UHFFFAOYSA-N 282.730 3.971 30 20 CHED COCC[C@H](c1ccccc1)N(C)Cc1cccc(C#N)c1 339864229 DCLQPKBFIJCBDM-LJQANCHMSA-N 294.398 3.768 30 20 CHED Cc1n[nH]c(-c2ccc(NCC(C)(C)CCC#N)cc2)n1 92415339 GBCVULOJCIQFSE-UHFFFAOYSA-N 283.379 3.522 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(F)c(C(F)(F)F)c1 93090723 QPNXJZLTCXQBFR-SECBINFHSA-N 274.261 3.578 30 20 CHED CCc1cccc(C)c1N=C(O)NC1(CC)CCOCC1 330709830 SNMKMRCVCNJDAU-UHFFFAOYSA-N 290.407 3.652 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@H](c3ccccc3F)C2)c1 337533441 UNCQHXQJZTZKFL-AWEZNQCLSA-N 298.336 3.826 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N(C)Cc1c(Cl)cccc1Cl 336248576 NVQCXCPOHXWHMO-YMTOWFKASA-N 297.185 3.502 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1C[C@H]1CC 438593982 XKNISJNNLXUOKU-HUUCEWRRSA-N 264.413 3.563 30 20 CHED N#Cc1ccc(SCc2ccccc2[N+](=O)[O-])c(F)c1 524987138 JUUPUAHXGQIQBA-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C=CCC[C@H](NC[C@@H](C)c1c(C)noc1C)C1CC1 90762806 GNIAHEQUSAAWPY-ABAIWWIYSA-N 262.397 3.729 30 20 CHED C=CCCC1(c2nc(CCCSCC)no2)CC1 347159083 PETFEMUKSYMSTJ-UHFFFAOYSA-N 266.410 3.753 30 20 CHED CC(C)CCCSCC(=O)Nc1cccc(C#N)c1 346744085 KDIJCYMGIHEXLZ-UHFFFAOYSA-N 276.405 3.666 30 20 CHED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)s1 247812747 AHRAVXDMZYZIAM-UHFFFAOYSA-N 298.411 3.979 30 20 CHED Cc1cccc([C@H](C)CN[C@H]2CCC[C@@H](C#N)C2)c1 248813928 KTBKTVLXCHZBMZ-INMHGKMJSA-N 256.393 3.771 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccc(CC)cc1 521112703 APVGJSUAHYTOQP-UHFFFAOYSA-N 295.382 3.744 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1c(F)cccc1Cl 522057133 TYDRBAHBMYSBLS-SNVBAGLBSA-N 289.741 3.597 30 20 CHED Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@H](C)C#N 609921894 RVQOPECLWONEOC-CYBMUJFWSA-N 280.327 3.886 30 20 CHED Cc1ccc(F)cc1NC(=O)[C@@H](C#N)CCc1ccccc1 433118609 XSVFBKPOUXAORJ-OAHLLOKOSA-N 296.345 3.845 30 20 CHED CC1(C)CN(CC2(CC#N)CC2)[C@@H]1c1cccs1 602831839 IUUDENTUMGXUCI-CYBMUJFWSA-N 260.406 3.825 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1OCCCC 522652976 LUJHJZGQEUXOID-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED C=CCC[C@H](NCc1ccc(OCCC)nc1)C1CC1 439000677 NHZHDJFUGHUCHE-INIZCTEOSA-N 274.408 3.705 30 20 CHED Cc1cccc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)c1 255911829 ZAOBRHDOFFVASQ-KTKRTIGZSA-N 282.387 3.922 30 20 CHED Cc1cc(C(=O)N(CCC#N)C(C)C)c(C)cc1Cl 527240594 HOOFJIUUNJCXJO-UHFFFAOYSA-N 278.783 3.721 30 20 CHED C=C1CCN(C(=O)[C@@H](C)CSc2ccccc2)CC1 347599641 SVZBXSFSMJNHEQ-AWEZNQCLSA-N 275.417 3.593 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc(SC)cc1 255392296 OCMMDFSXPZYDSR-TWGQIWQCSA-N 272.373 3.521 30 20 CHED Cc1cc(C)cc(C(=O)Nc2ccc(F)c(C#N)c2)c1 51637732 SLEHGFHQUNOHKY-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CN(C(=O)CCCC(C)(C)C)c1ccc(C#N)cc1F 609217142 WZZKKCYMPFUKHG-UHFFFAOYSA-N 276.355 3.877 30 20 CHED CCN(CCC#N)C(=O)c1cc(Cl)cc(Cl)c1F 601009973 VSKGFMARJOEKJN-UHFFFAOYSA-N 289.137 3.508 30 20 CHED N#CC1CCC(CNc2nccc3ccccc23)CC1 528004096 QSRALEACEWNSMQ-UHFFFAOYSA-N 265.360 3.977 30 20 CHED C=CCC1(CNCc2ccc(COC)o2)CCCC1 449607307 XBSYQVJVVAPCPL-UHFFFAOYSA-N 263.381 3.652 30 20 CHED C=CCCCC[C@H](C)NC[C@H](c1ccccc1)c1nc[nH]n1 449670651 QFNGNCLJQKNFMC-DOTOQJQBSA-N 298.434 3.661 30 20 CHED CCC1(c2noc(Cc3ccc(C#N)cc3)n2)CCCC1 445785161 VBFLGAFWLKMOAL-UHFFFAOYSA-N 281.359 3.754 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(-n3cccn3)c(Cl)c2)C1 442868853 OOUSCCIBXNBPAV-RYUDHWBXSA-N 286.766 3.630 30 20 CHED C=CCC1(NCc2cccc3nccn23)CCCCC1 449570213 ABCYQUQIDDCART-UHFFFAOYSA-N 269.392 3.703 30 20 CHED C=CCCC1(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)CC1 359192529 XEHBUXKEQWSZBE-AWEZNQCLSA-N 261.409 3.770 30 20 CHED C=CC[C@@H]1N(CCCn2ccnc2C)CCCC1(C)C 444777110 DMKSXTHTOSNMEI-INIZCTEOSA-N 275.440 3.648 30 20 CHED C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@](C)(C#N)C1 615837629 PHDVFMAMKYJLMR-CRPZLVSXSA-N 299.374 3.624 30 20 CHED CCO[C@H](C)c1nccn1Cc1ccc(Cl)cc1C#N 358606242 IRRGESJOCSRSFT-LLVKDONJSA-N 289.766 3.554 30 20 CHED CC(C)(CCC#N)CNCc1cc2ccccc2[nH]1 266165216 AKUOLCHSKUACSU-UHFFFAOYSA-N 255.365 3.587 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2nccc3ccccc23)C1 617786057 TVGGPNXUGXRLLJ-AWEZNQCLSA-N 280.371 3.663 30 20 CHED CC(C)Oc1ccc(Cl)cc1NC(=O)NCCCC#N 353744872 LWBZQXNMWHVCRD-UHFFFAOYSA-N 295.770 3.552 30 20 CHED CC(C)(C)c1ccc([C@@H](NC(=O)CC#N)C(F)(F)F)cc1 613910417 TXOZPLRRYKMQLW-CYBMUJFWSA-N 298.308 3.617 30 20 CHED N#Cc1cccnc1N1CC2(CCC2)c2ccccc21 357885724 WWVMRSISNLPUAI-UHFFFAOYSA-N 261.328 3.527 30 20 CHED Cc1cccc(Oc2ccccc2C(=O)N[C@@H](C)CC#N)c1 442033506 XRLGHRLOBCGXQE-AWEZNQCLSA-N 294.354 3.819 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(O)c1 358783093 BPEKSCCABACKSD-UHFFFAOYSA-N 287.384 3.591 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cccc(O)c2)CCCC1 449838697 HUICWTZFJDMKJZ-CYBMUJFWSA-N 273.376 3.706 30 20 CHED COc1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1C#N 535356368 ZAHRAVHKXNEQET-UHFFFAOYSA-N 283.718 3.764 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 530879573 FVVUPVANYKCITH-ZIAGYGMSSA-N 262.422 3.924 30 20 CHED N#C[C@@H]1N(CCC2=CCCCC2)CCC[C@]12CCCCO2 450881429 MDCMZPKDUXXGTE-ZWKOTPCHSA-N 288.435 3.804 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCCCC1(F)F 454809779 MTVXYGPUXPZUQQ-OLZOCXBDSA-N 288.382 3.856 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cccc2ccsc12 613400117 DGRAVKLJIHFVKG-LBPRGKRZSA-N 272.373 3.569 30 20 CHED CCOc1ccc(Cl)c(NC(=O)[C@](C)(C#N)CC)c1 456037383 CICRIWOCPIKNMB-AWEZNQCLSA-N 280.755 3.617 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2cccc(F)c2)C1 617786303 WTKBDZMEGWHZDS-HUUCEWRRSA-N 289.394 3.819 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCCc2ccc(C)cc21 452113403 BSVGHKCFIIFBOD-OAHLLOKOSA-N 257.377 3.701 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccccc1-c1cnn(C)c1 540150589 GNXUAOKGUHJAKG-CABCVRRESA-N 283.419 3.777 30 20 CHED C#CCC1(C(=O)N2CC3(CCC3)[C@H]2C2CC2)CCCCC1 366371131 RPTXIWOESHZMTO-MRXNPFEDSA-N 285.431 3.751 30 20 CHED C=CCCc1noc([C@@H]2CCCc3sccc32)n1 453239724 SSNZVNSXQIHBOK-LLVKDONJSA-N 260.362 3.718 30 20 CHED N#CCc1cccc(NC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)c1 455922652 RKUKXQKQERDFML-JYJNAYRXSA-N 297.402 3.700 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)NCC(C)(C)CC#N 459256442 IMOCPUKTWXHDFE-INIZCTEOSA-N 299.418 3.781 30 20 CHED Cc1c(Cl)cnc(N[C@H]2[C@@H]3c4ccccc4C[C@H]32)c1C#N 544141419 DTACDOUGPSXQPX-DAXOMENPSA-N 295.773 3.665 30 20 CHED Cc1ccc2c(OCc3ccc(C#N)cc3)cccc2n1 545368522 WXQJTMVRIQZRKS-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=CCN(C(=O)c1cc(C)c(F)cc1F)C(C)(C)C 622944594 YOHWBWAMJSIAKH-UHFFFAOYSA-N 267.319 3.700 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C1CCCC1)C1CC1 453205037 CQJRIOAQRFAULU-BBWFWOEESA-N 263.425 3.526 30 20 CHED CC#CC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 277753921 RTAMQKVWVCCKDI-LLVKDONJSA-N 295.304 3.781 30 20 CHED C=CCC1(CNC(=O)CC2CC(F)(F)C2)CCCC1 456486307 NGIRGLAGCGNZAU-UHFFFAOYSA-N 271.351 3.675 30 20 CHED C=CCCN(C)C(=O)NC1CCC(CCCC)CC1 466975865 FRFVMFDLLUJQLF-UHFFFAOYSA-N 266.429 3.953 30 20 CHED C=CC[C@H](CC)NC(=O)C1=Cc2cc(Cl)ccc2OC1 466526595 BVKRRBOUBVNHAX-AWEZNQCLSA-N 291.778 3.587 30 20 CHED Cc1ccc2oc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2c1 277915012 MPZIVOBJTRIYSA-MRXNPFEDSA-N 296.370 3.896 30 20 CHED C=CCC[C@@H](C(=O)N(CC)C[C@H](C)OC)c1ccccc1 462873766 YTKKZSJSDKFFKB-DOTOQJQBSA-N 289.419 3.620 30 20 CHED C[C@H](CNc1nc2ccccn2c1C#N)c1ccc(F)cc1 541114006 AFIKWUJCKXAHER-GFCCVEGCSA-N 294.333 3.561 30 20 CHED CC#CCCCC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 464439746 ZIWNIHHDBISJAJ-AWEZNQCLSA-N 275.367 3.929 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCCCCSC(C)=O 281641458 QTHJIXGGZIZYLB-OAHLLOKOSA-N 285.453 3.545 30 20 CHED C=CCSCCN[C@H](C)c1ccc(OC)c(OC)c1C 286169604 QGZHOFYPPIRDGC-CYBMUJFWSA-N 295.448 3.582 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1COc1ccccc1 465156831 MPYFCJYUBQXHAY-CQSZACIVSA-N 296.370 3.962 30 20 CHED C=CCCOc1ccccc1-c1cnn(C[C@@H]2CCOC2)c1 629736870 XXXINFZBHMVUKR-HNNXBMFYSA-N 298.386 3.542 30 20 CHED N#CCSCCCN1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 466731798 STTOGZDGXVAUIB-NXOAAHMSSA-N 292.492 3.924 30 20 CHED C=CCC[C@H](NCCc1ccncc1C)c1ccco1 286030928 JFHCUGNQWJAJNY-INIZCTEOSA-N 270.376 3.823 30 20 CHED Cc1c(C#N)cccc1-c1nc(CC2CC(C)(C)C2)no1 463177394 LAAZRSBXFNXODK-UHFFFAOYSA-N 281.359 3.895 30 20 CHED Cc1cccc(C2(C(=O)N[C@H](C#N)C(C)(C)C)CCCC2)c1 464706508 DYWUKJLHNZXTMV-MRXNPFEDSA-N 298.430 3.861 30 20 CHED CCCC[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 558627690 PQAIAUGFTGGGHE-CYBMUJFWSA-N 276.355 3.899 30 20 CHED C[C@@H]1CCN(C[C@@H](C#N)CCC#N)CC12CCCCC2 373410700 AKEZDNIGIODSHJ-HZPDHXFCSA-N 273.424 3.722 30 20 CHED CC(C)(C)CCCC(=O)Nc1ccc(C#N)c(F)c1 464636546 GRINKHMMCNWWGQ-UHFFFAOYSA-N 262.328 3.852 30 20 CHED CC#CCCCC(=O)NC1CC(C)(C)CC(C)(C)C1 466306258 HJIZTZRWUKTVIV-UHFFFAOYSA-N 263.425 3.901 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 282298562 YZAZEHKXHAACCI-CQSZACIVSA-N 287.359 3.772 30 20 CHED C=C[C@H](C)NC(=O)CCC[C@H](C)c1cccc(OC)c1 469138495 WVVFCFYYAAMWNX-KBPBESRZSA-N 275.392 3.660 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(C)c1cccc(C(C)C)c1 555475771 NFNKSLVQQAKRKM-UHFFFAOYSA-N 293.370 3.662 30 20 CHED C[C@@H](NCCC#N)[C@H](C)c1ccccc1C(F)(F)F 280550739 JZSSBUUXYXXAPJ-WDEREUQCSA-N 270.298 3.701 30 20 CHED CC[C@H](C)Oc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 559877988 NVIQNBNJVRDBCG-GUTXKFCHSA-N 258.365 3.968 30 20 CHED C[C@@H](N[C@H]1CCCC12CCOCC2)c1ccc(C#N)cc1 281954729 FTFAAUJBVCMRBS-PBHICJAKSA-N 284.403 3.558 30 20 CHED C=CCC[C@H](CC)NC[C@](C)(Cc1ccccc1)[C@H](C)O 477849479 IKJNXDCXIMORIU-WDSOQIARSA-N 289.463 3.951 30 20 CHED C#CCN(C(=O)Cc1ccc(Cl)s1)C1CCCCC1 800868814 MBLGNQFBKWLBQV-UHFFFAOYSA-N 295.835 3.739 30 20 CHED CC(CCc1ccccc1F)=NNCC1CCCC1 808006679 XGVHSEBBWXMOBL-UHFFFAOYSA-N 262.372 3.914 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 551544711 QBACOIMIDDAMAD-GFCCVEGCSA-N 295.810 3.826 30 20 CHED CCC[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 474696527 RNJJWQQHYUTPPE-GUYCJALGSA-N 272.392 3.952 30 20 CHED CC(=NN[C@@H]1CCSC1)c1cc2ccc(C)cc2o1 808004362 MSMXSFYKMACPIC-CYBMUJFWSA-N 274.389 3.560 30 20 CHED CC[C@](C)(C#N)C(=O)OCC(=O)c1ccc2ccccc2c1 803786153 BTISHLQYBYWANF-GOSISDBHSA-N 295.338 3.506 30 20 CHED C=CCCCCNC(=O)c1cncc(-c2ccccc2)c1 471711289 HNZKKTCZLZUJEB-UHFFFAOYSA-N 280.371 3.835 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C2CC2)cnc1Cl 294293513 QJFMBQHNQKJSJN-UHFFFAOYSA-N 292.810 3.945 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)c(OC)cc1C 293451476 JGGZKAGYEYBOMY-UHFFFAOYSA-N 265.328 3.684 30 20 CHED C=CCCC1(C(=O)Nc2cc(C)c(O)c(C)c2)CC1 476750440 WBWQIINERNVHBM-UHFFFAOYSA-N 259.349 3.694 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2ccsc2)CCCC1(C)C 470297085 LFIYLRWMWPYWTH-AWEZNQCLSA-N 277.433 3.884 30 20 CHED Cc1ccc(C=NNc2nccnc2C2CCC2)cc1F 807993313 AMMSMAZLOSPLPY-UHFFFAOYSA-N 284.338 3.638 30 20 CHED CCCC[C@@H](C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 800382982 LIRQTZSWMSAJCM-OLZOCXBDSA-N 283.375 3.576 30 20 CHED N#Cc1cccc(NC(=O)N2CCCC3(CCCCC3)C2)n1 566198999 WZVKQGIOCWVUEY-UHFFFAOYSA-N 298.390 3.531 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCCC[C@H]1CC 292871424 HLAFOLBOHBMGGA-CQSZACIVSA-N 274.412 3.501 30 20 CHED CCCCCCCCCC(=O)Nc1n[nH]c(C)c1C#N 807394327 JBSAYGKPVNHDLO-UHFFFAOYSA-N 276.384 3.669 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccnc(C(F)(F)F)c1 295074698 PQKOKTSNQQGZPX-WDEREUQCSA-N 272.314 3.791 30 20 CHED C=CCC1(C(=O)N(C)Cc2csc(CC)n2)CCCC1 566659395 LVZBEUMCCGAVQD-UHFFFAOYSA-N 292.448 3.800 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC1(C)CCCCC1 564361100 DKRLVKIEVMRTHE-UHFFFAOYSA-N 285.391 3.959 30 20 CHED C=CCCC[C@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc12 398159991 KFGHJMUUMBZRMB-NSHDSACASA-N 286.335 3.695 30 20 CHED C=C(C)CS[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 477010487 JJOGVXFPFSVFLK-QWHCGFSZSA-N 275.417 3.662 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 560163397 RLYZNYYDQPGPQZ-ZIAGYGMSSA-N 299.418 3.596 30 20 CHED C=CCCCCNC(=O)[C@H](CC)c1ccc(OC)cc1 471680116 RZTCDMSDSFYSPF-MRXNPFEDSA-N 275.392 3.661 30 20 CHED CC(C)C(C)(C)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813219679 CDAAOXIQPLMJPT-NSHDSACASA-N 298.308 3.959 30 20 CHED C=C(C)COc1cccc(NC(=O)NOC[C@@H](C)CC)c1 814631353 YVVFFOYIDUBJKR-ZDUSSCGKSA-N 292.379 3.741 30 20 CHED Cc1cccc(OCCCNCc2ccc(C#N)c(F)c2)c1 817407021 BNGOISQGGRZPFS-UHFFFAOYSA-N 298.361 3.565 30 20 CHED CCCCCCCCCC(=O)N[C@@]1(C#N)CC1(C)C 813301027 VNZHDMSCXPDADB-MRXNPFEDSA-N 264.413 3.936 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(-n3ccnc3)cc2)n1 815705775 AKTRKCMQRFIGHN-UHFFFAOYSA-N 294.358 3.776 30 20 CHED C=CCOc1ccccc1CN[C@H]1CS[C@@H](C(C)C)C1 488424706 DLFQFOTXADLYLM-NVXWUHKLSA-N 291.460 3.871 30 20 CHED CC(C)Oc1ccc(Br)cc1NCCC#N 574912509 JQMFSJUPDFGXNT-UHFFFAOYSA-N 283.169 3.562 30 20 CHED C/C(=C/C(C)(C)C)C(=O)Nc1ccc(C#N)c(F)c1 813259766 DXDHKVORTGWNNH-NTMALXAHSA-N 260.312 3.628 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C#N)c(F)c2)cc1 574369856 QXENITWALKQYSA-GFCCVEGCSA-N 297.333 3.889 30 20 CHED C=CCn1c(S[C@H](C)CCC)nc2ccccc2c1=O 481245903 LBVZILNOKWDOQJ-GFCCVEGCSA-N 288.416 3.863 30 20 CHED C#CCN(Cc1ccccc1)Cc1cccc(O)c1Cl 816609979 UNRYHKNFEIGOSZ-UHFFFAOYSA-N 285.774 3.681 30 20 CHED Cc1cccc(NN=C2CC(C(=O)O)(c3ccccc3)C2)c1 814687724 SKUNFHGRNYLAOF-UHFFFAOYSA-N 294.354 3.579 30 20 CHED CC(C)(CC(=O)OCc1cccc(C#N)c1F)C1CC1 815469044 UVAGMOPVUIXZAX-UHFFFAOYSA-N 275.323 3.567 30 20 CHED Cc1cc(F)c(/C=C/C(=O)c2cnn(C(C)C)c2)c(F)c1 819010469 DZKDMYZHQNZGFS-SNAWJCMRSA-N 290.313 3.947 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(OC(F)F)c1 487935452 ZLPCMWMYVHZBPH-LBPRGKRZSA-N 296.317 3.860 30 20 CHED CC(=NOCCOC(C)C)c1c(F)cccc1Cl 812238341 XSKQXQPXIQBYAD-UHFFFAOYSA-N 273.735 3.645 30 20 CHED CC#CCCNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 483410797 UBNIGGJQXFDNMD-SFHVURJKSA-N 296.414 3.651 30 20 CHED Cc1ccc(Br)cc1NC[C@H](C#N)CCC#N 572870965 PAHUMSFFAGQFPZ-NSHDSACASA-N 292.180 3.613 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNCc1ccc(C#N)s1 481825832 SLYBFOZLKGBDFW-AGIUHOORSA-N 262.422 3.782 30 20 CHED C=CCn1cccc1C(=O)N1C[C@H](c2ccccc2)C[C@H]1C 488963276 VSRNRERECZQTHW-NVXWUHKLSA-N 294.398 3.692 30 20 CHED C=CCCCCSCC(=O)Nc1ccc(OC)cc1 573309356 HIBFDOYRGHAEOP-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C=CCn1cccc1C(=O)NC[C@H](CC)c1ccccc1 488594373 KVQXNGGRMQHGGZ-HNNXBMFYSA-N 282.387 3.598 30 20 CHED FC(F)(F)COc1ccc(NN=Cc2ccco2)cc1 727262838 ZEAWSLQTRARREV-UHFFFAOYSA-N 284.237 3.667 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)c1ccc(CC)cc1 488849833 FGYLCNYLBBRMOT-WMLDXEAASA-N 271.404 3.920 30 20 CHED C=CCSc1ccccc1C(=O)NCCCCC 485454037 LDINJOIELYKOQF-UHFFFAOYSA-N 263.406 3.885 30 20 CHED Cc1cscc1C(=O)N(CCC#N)c1ccc(F)cc1 578831842 GHAMWZJDGRKSOE-UHFFFAOYSA-N 288.347 3.756 30 20 CHED C=CCCCCN(CC(=O)O)[C@@H](CC)c1ccccc1 579616340 QHFMHIRWSBKGIJ-INIZCTEOSA-N 275.392 3.881 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N1CCCC(C)(C)[C@H]1C#N 577810964 UUZKAGKAOAZDOZ-IAGOWNOFSA-N 298.430 3.796 30 20 CHED Cc1ccc(C=NNc2cccc3cnccc23)o1 728431866 GMPZSNJLNXIPLI-UHFFFAOYSA-N 251.289 3.582 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 570217983 ZTSYEHZNGZCMOI-ZMSDIMECSA-N 257.377 3.569 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1nccn1Cc1ccccc1 820067428 FGJKKYIRAXGLIC-UHFFFAOYSA-N 298.386 3.577 30 20 CHED Cc1ccc(NC(=O)CSCC2(C#N)CCC2)cc1C 578122454 OPETZAIKWXHWFL-UHFFFAOYSA-N 288.416 3.669 30 20 CHED C=CCn1cccc1C(=O)N(CCCC)[C@H](C)CC 490044921 NRELDYJGSFQRGO-CQSZACIVSA-N 262.397 3.715 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CCCCC1(F)F)c1ccccc1 827396672 VMFASBFDLGNNRF-GJZGRUSLSA-N 291.341 3.693 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 729072488 OEEPZULVIICLSB-ZDUSSCGKSA-N 276.376 3.871 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ccc(C)s1 490041531 SPPOEHOQXXYEKG-UHFFFAOYSA-N 265.422 3.708 30 20 CHED Cc1ncccc1CSc1nc2c(cc1C#N)CCCC2 589255223 UHLNLKOZEUNFLC-UHFFFAOYSA-N 295.411 3.828 30 20 CHED C=CC[C@H](NC(=O)N1CCC(C)(C)CC1)c1ccncc1 734684561 VORYUHIXWUWMBD-HNNXBMFYSA-N 287.407 3.530 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H](C)c1ccccc1Cl 498109492 AMZVWMBRCHHTNY-GHMZBOCLSA-N 283.824 3.825 30 20 CHED CCCCCCCCCOC(=O)c1ccc(C#N)cn1 730893050 JNCGNNXXTMGFCJ-UHFFFAOYSA-N 274.364 3.861 30 20 CHED Cc1cnccc1[C@H](OC(=O)CCCC#N)c1ccccc1 835518251 JTFVHHBTAXCZET-GOSISDBHSA-N 294.354 3.717 30 20 CHED Cc1csc(NC(=O)N2C[C@@H](C)CC(C)(C)C2)c1C#N 582070601 QEFVFXSVPGGWBL-JTQLQIEISA-N 291.420 3.828 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C(C2CCC2)C2CCC2)C1 839064315 WDPIHCSNPMBQTJ-WFASDCNBSA-N 275.392 3.828 30 20 CHED N#Cc1cccc(NC(=O)N(CC2CCCCC2)C2CC2)n1 583811111 CUHPKGPCYJFVMF-UHFFFAOYSA-N 298.390 3.530 30 20 CHED O=C(CCC1CC1)N1CCCSC1=Nc1ccccc1 734314875 XSEJATCUCVCLMM-UHFFFAOYSA-N 288.416 3.830 30 20 CHED CC(=NNc1ccc(F)cc1Cl)[C@H]1C[C@H]2CC[C@H]1O2 901317698 NHRRUOBMOBBISI-JTNHKYCSSA-N 282.746 3.834 30 20 CHED C[C@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1Cl 837313516 HBDIVELQKQQVDU-VIFPVBQESA-N 282.170 3.584 30 20 CHED CCc1ccc([C@H](C)C(=O)N(C2CC2)C2(C#N)CCC2)cc1 585747848 MCEYGZPGPITILL-AWEZNQCLSA-N 296.414 3.790 30 20 CHED CC1(C)CCC[C@H]1OC(=O)[C@@]1(C#N)CC12CCCC2 837903662 WTMRKIINQZWYSO-WBMJQRKESA-N 261.365 3.582 30 20 CHED CC(C)(C)C#CCOC(=O)C[C@@]1(C)CC1(Cl)Cl 835391248 ZONWWXWNWYSACK-LBPRGKRZSA-N 277.191 3.553 30 20 CHED C=C(Cl)CNC(=O)NCC1(c2ccccc2)CCCC1 736398292 ZJGAUPCFOIKFAT-UHFFFAOYSA-N 292.810 3.550 30 20 CHED C=C1CCN(C(=O)/C=C(/C)c2ccccc2Cl)CC1 731052430 PQYDBTDPKJDYEY-QBFSEMIESA-N 275.779 3.922 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc(CC(=O)O)c1 581536035 ZPIPGAMCXZFXRA-CYBMUJFWSA-N 261.365 3.861 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1cccc(F)c1 730148475 UOWZEWNXZLDTBA-UHFFFAOYSA-N 279.318 3.632 30 20 CHED N#CC1(C(=O)OCc2cccc3ccccc23)CCC1 736839289 VVJRQNYFSWHSBA-UHFFFAOYSA-N 265.312 3.577 30 20 CHED Cc1ccccc1-c1ccccc1C=NN[C@@H]1CCCOC1 834973243 USJMWOPMGLAUHZ-QGZVFWFLSA-N 294.398 3.765 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)CCCCCC#N 588269985 PYSGVRBVDFSNJD-CQSZACIVSA-N 252.402 3.791 30 20 CHED Cc1cc(CN(C)CC(C)(C)C#N)ccc1Cl 583255398 YBCBGSSIPRCYRP-UHFFFAOYSA-N 250.773 3.630 30 20 CHED CC(C)(CCC#N)CNc1ccc(C(C)(C)C(=O)O)cc1 833457077 KYPACPLDFQMCQK-UHFFFAOYSA-N 288.391 3.791 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H]1CCCc2sccc21 839038766 ZAMUFFXFZPLLCJ-YPMHNXCESA-N 262.374 3.513 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1cccc(F)c1)C(C)C 734773826 UDKRKDLRERBNQU-CYBMUJFWSA-N 263.356 3.742 30 20 CHED Cc1cc(NN=Cc2ccc(C(C)(C)C)cc2)ncn1 731936055 YVDJAOLBIREDBW-UHFFFAOYSA-N 268.364 3.529 30 20 CHED CC(C)OC1CCN(CCC2(C#N)CCCCC2)CC1 591014000 JNOUGEKQFLJQAX-UHFFFAOYSA-N 278.440 3.740 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 596790910 UEDDYPVBNMIIJK-CABCVRRESA-N 276.424 3.936 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 599225530 BQHXMZMXPSAJDQ-JDFRZJQESA-N 268.360 3.632 30 20 CHED CCOc1ccc(Nc2nc(C#N)c(Cl)s2)cc1 590570391 YLRAZVRSJITSLE-UHFFFAOYSA-N 279.752 3.810 30 20 CHED C(/C=C\c1ccccc1)=NNc1ncnc2sccc12 916368548 UCPVMCUOMFWEKR-DSDGHTGGSA-N 280.356 3.802 30 20 CHED N#Cc1c(Cl)cccc1NCc1ccc(Cl)nc1 917089959 QWQUUCNXGMMYOI-UHFFFAOYSA-N 278.142 3.872 30 20 CHED CCCCCCCCC(=O)NCc1ccc(N(C)C)nc1 914765613 FFFKXKHGCONXFZ-UHFFFAOYSA-N 291.439 3.514 30 20 CHED CN(C[C@@H]1CC1(C)C)C(=O)N[C@H](CCC#N)c1ccccc1 595567963 TUMABMWYELPYOI-JKSUJKDBSA-N 299.418 3.719 30 20 CHED C[C@@H](C#N)N(CCc1c(Cl)cccc1Cl)C1CC1 595710709 VAYHXVFXUVBBDR-JTQLQIEISA-N 283.202 3.912 30 20 CHED Cc1nc(C#N)c(NN=Cc2cccc(Cl)c2Cl)o1 917555423 QIUVAMWFBSXCGQ-UHFFFAOYSA-N 295.129 3.608 30 20 CHED N#Cc1cc(F)c(OCCC2CC2)c(Br)c1 598731213 ZUGKMWCDBYPVBF-UHFFFAOYSA-N 284.128 3.639 30 20 CHED Cc1ccc(C#N)cc1-c1cccc(CO[C@@H]2CCOC2)c1 593950846 AXAUHTQPWIVQIJ-GOSISDBHSA-N 293.366 3.839 30 20 CHED C=CCOc1ccc(CN(Cc2cn[nH]c2)C(C)(C)C)cc1 678124362 IMRYLYYZEZLAOW-UHFFFAOYSA-N 299.418 3.775 30 20 CHED O=C(C#Cc1ccccc1)N[C@@H](c1ccccc1)C1CCC1 747379930 HSNKRBUDDJGTEW-FQEVSTJZSA-N 289.378 3.696 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1cc(C)n(C)n1)C2=O 840721375 SXLHCIGBLTXKKF-GXDHUFHOSA-N 280.371 3.558 30 20 CHED CC1(C)CCC(CC(=O)N2CCC[C@H](CC#N)C2)CC1 597907870 JFZIGFWDUHJIJN-OAHLLOKOSA-N 276.424 3.745 30 20 CHED CCC[C@H](C(=O)N(C)CCC#N)c1cccc(Cl)c1 599152527 ZLGAMCCROBMACO-AWEZNQCLSA-N 278.783 3.596 30 20 CHED C#C[C@@H](OC(=O)c1csc(C(C)(C)C)n1)c1ccccc1 842389492 HPOGRGJMPGABDQ-CQSZACIVSA-N 299.395 3.972 30 20 CHED C=CCCC(C)(C)NC(=O)CSc1ccc(C#N)cc1 598523008 VUBHBIOTUAAABZ-UHFFFAOYSA-N 288.416 3.511 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(OCC#N)c2)C1 749795095 SNFYGJLOSHATMK-ZIAGYGMSSA-N 286.375 3.744 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1C[C@H]1C1CCC1 591658418 GYRQJZKVTXXBPS-RCCFBDPRSA-N 266.388 3.714 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H]1c1cccc(F)c1 675159718 KEIYWVYNCFCNKR-INIZCTEOSA-N 273.351 3.868 30 20 CHED CCC(C[C@H](C)CC)=NNc1ccc(S(C)(=O)=O)cc1 915960693 PBOHHRXYWHCBDK-GFCCVEGCSA-N 296.436 3.704 30 20 CHED CCCCCCCC(=O)Nc1ccc(-n2nccn2)cc1 915866748 BHDNHTSIKCVVGT-UHFFFAOYSA-N 286.379 3.566 30 20 CHED CC(CCCCC#N)=NN[C@@H](C)COc1ccccc1 841640013 WLVDHXFDJHEPTK-HNNXBMFYSA-N 273.380 3.503 30 20 CHED CC(C)c1ccc(CN(C)C(=O)C#Cc2ccccc2)cc1 747348669 URJQMRDMJVUSID-UHFFFAOYSA-N 291.394 3.820 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 597905318 XTSNYQDCCFHPBT-YLFCFFPRSA-N 288.435 3.745 30 20 CHED C[C@H](NC(=O)N[C@@H]1C[C@H]1CC(C)(C)C)c1cccc(C#N)c1 593367635 YBQBDRRYMSCQIF-VBNZEHGJSA-N 299.418 3.743 30 20 CHED CC[C@H](C#N)C(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 593415101 UEXQYNSHTVTYNQ-LLVKDONJSA-N 299.201 3.892 30 20 CHED C=C[C@H](OC(=O)c1cccc(SC)n1)C(C)(C)C 842788310 HBEWKDMJRARWRV-NSHDSACASA-N 265.378 3.561 30 20 CHED Cc1ccc(NC(=S)NCC(C)(C)CC#N)cc1C 840846482 XLUOOFILOUUUIC-UHFFFAOYSA-N 275.421 3.530 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)CCCC3)nn1C 840716296 VVORRAKPTQPDAV-KTKRTIGZSA-N 280.371 3.503 30 20 CHED Cc1cc(C)c(C#N)c(NCc2cccc(OC(C)C)c2)n1 917085219 IVANYXBQUKTSIX-UHFFFAOYSA-N 295.386 3.969 30 20 CHED CCCCCCCOC(=O)c1c[nH]nc1-c1ccncc1 919426791 YAMVADDXAOMQQP-UHFFFAOYSA-N 287.363 3.599 30 20 CHED C[C@H](CCC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597908956 YHSRIYSUCVCGOI-CVEARBPZSA-N 284.403 3.723 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@@]12CCCc1ccccc12 745720497 STULWAHMLJYHQQ-SJLPKXTDSA-N 270.372 3.790 30 20 CHED C=CCn1c(SCc2cscn2)nc2ccccc21 749507376 OIDOYTIZIAHLPN-UHFFFAOYSA-N 287.413 3.971 30 20 CHED N#CC1(C(=O)N2CCC(C3CCCCC3)CC2)CCCC1 916438721 AZRWNSGKFSYXLB-UHFFFAOYSA-N 288.435 3.889 30 20 CHED CCc1nnc(S[C@H](C)c2cccc(C#N)c2)s1 594916020 MTDAXPGUTZJDER-SECBINFHSA-N 275.402 3.825 30 20 CHED C=CC(C)(C)CNC(=S)Nc1cc(OC)ccc1Cl 840794867 QGFMNUXPOURZTM-UHFFFAOYSA-N 298.839 3.847 30 20 CHED CC(C)(CNC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 590621574 RLGUYZUOSPDKFH-IBGZPJMESA-N 296.414 3.554 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2nc(C)cc(C)c2C#N)CC1 598857735 IPVLJMZWHIHGIP-HDJSIYSDSA-N 285.391 3.725 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C\c2c(O)cccc2OC)C1 749008301 UWVRLRRFBJWQCT-FSUYJDLYSA-N 293.432 3.884 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN([C@@H]1CC[C@@H](C#N)C1)CC3 590166004 LIFGWPPBSBLVAB-ZIAGYGMSSA-N 279.387 3.527 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)Nc1nc(C#N)ccc1C 596185594 OBFQQUDYVYBFMY-LRDDRELGSA-N 299.349 3.589 30 20 CHED N#CC1(CCOC(=O)[C@H]2CC23CCC3)CCCCC1 840291171 MTVQPDXSJFEVLK-CYBMUJFWSA-N 261.365 3.584 30 20 CHED C=CCCC(=O)CSc1nc(CC)c(C)s1 845325871 GPQUNGFRTYEXNZ-UHFFFAOYSA-N 255.408 3.641 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Cl)c(SC)c1 840856100 PNFRBPXMFGXCMK-UHFFFAOYSA-N 286.853 3.924 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCC[C@H](N(C)C)C1 749456374 YRBYEXXEDQCSOP-HOTGVXAUSA-N 282.472 3.726 30 20 CHED C=C(C)CCNc1cc(C)n(-c2ccc(C)cc2)n1 685199380 XOXZXDPJYURGSR-UHFFFAOYSA-N 255.365 3.867 30 20 CHED CC(C)(C)CC=Nn1c(S)nnc1-c1ccccc1 755512208 FHDULNCTAWSWQW-UHFFFAOYSA-N 274.393 3.504 30 20 CHED C=C[C@H](C)NC(=O)[C@H](CC)c1ccc(Br)cc1 859999242 MHAJKTODQFZIEE-GXFFZTMASA-N 296.208 3.633 30 20 CHED C#CC[C@H](NC(=O)NCC1(CCC)CC1)c1ccccc1 757041812 JMEZNCMGXLVHOY-INIZCTEOSA-N 284.403 3.631 30 20 CHED C=C(C)[C@@H]1CC=C(COC(=O)c2ncccc2F)CC1 850872308 NIWWKAAGEQAGLL-CYBMUJFWSA-N 275.323 3.680 30 20 CHED CN1CCc2cc(/C=C3/Cc4cc(F)ccc4C3=O)ccc21 751534947 KVSXJKFREBVAQY-DHDCSXOGSA-N 293.341 3.640 30 20 CHED C#CCCCC(=O)Nc1ccc(Br)c(F)c1C 855341852 VFAFQUULPBKIIG-UHFFFAOYSA-N 298.155 3.639 30 20 CHED C#C[C@@H](CC)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 754379106 HKCGRXNFDBRWNW-FZMZJTMJSA-N 297.320 3.727 30 20 CHED CC(C)c1scnc1C(=O)O[C@@H](C)CC(C)(C)C#N 851203623 CJLITFWMCYXMEG-JTQLQIEISA-N 280.393 3.752 30 20 CHED C[C@H](C[C@@H]1CCOC1)/N=C\c1c(O)ccc2ccccc12 759643616 NSLFHKCHASXKHC-GTPXURPMSA-N 283.371 3.779 30 20 CHED C#CCCCC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 759054345 MCKUOQMCZXZILD-KRWDZBQOSA-N 285.362 3.681 30 20 CHED C#CC[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(C)C 752202061 MLXMLPHYTVZRKZ-HHNLSAEISA-N 293.366 3.839 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)Cc1cccc(F)c1 851209793 KALJFOGWTHAXSU-CHWSQXEVSA-N 291.366 3.876 30 20 CHED Cc1ccc(C(=O)OCC#N)c(Sc2ccccc2)c1 752234083 UBAMVOMPVVZWOW-UHFFFAOYSA-N 283.352 3.827 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C(C)=C(C)C 751114895 BRYLVYPKZJGFSY-UHFFFAOYSA-N 270.376 3.653 30 20 CHED Oc1ccccc1/C=N\CCOc1ccccc1Cl 751523806 PYGCLHUTSONWJB-BOPFTXTBSA-N 275.735 3.544 30 20 CHED C#CCCCCNC(=O)N1CCC(CCC(C)C)CC1 759759629 PAZZQYOKYMCQAT-UHFFFAOYSA-N 278.440 3.648 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2c(F)ccc(F)c2Cl)C1 857628024 YQKVZVFYHCHHMJ-BDAKNGLRSA-N 299.704 3.857 30 20 CHED FC(F)(F)c1ccc(C=NO[C@H]2CCCCO2)cc1 755820804 FOTJSUODVSRIIC-LBPRGKRZSA-N 273.254 3.583 30 20 CHED COc1cccc2c1C/C(=C\c1sccc1C)C2=O 759663055 APGBNUYPTYSRRZ-PKNBQFBNSA-N 270.353 3.888 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC2(C)C)c1 751951161 ROVWLZGUVDYKFZ-QGZVFWFLSA-N 293.366 3.840 30 20 CHED C=CCCOC(=O)c1cncc(-c2ccc(C)cc2)c1 757883492 KQFICTLKTYPMFI-UHFFFAOYSA-N 267.328 3.790 30 20 CHED CC(C)(CCC#N)COC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 860735618 LXISKNWZFDNJKW-XEZPLFJOSA-N 263.381 3.686 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1cnc(C)s1 761258999 NRUOKDSLDKJFGO-UHFFFAOYSA-N 297.330 3.889 30 20 CHED COc1ccsc1C(=O)O[C@H](C)c1cccc(C#N)c1 764605706 JUYJVYZUEYFDST-SNVBAGLBSA-N 287.340 3.546 30 20 CHED C#CCCN(CCc1ccccc1F)C1CCCC1 760820431 PSWNAPPTKJCSDH-UHFFFAOYSA-N 259.368 3.636 30 20 CHED CCCCCCC[S@@](=O)c1ccc2c(c1)OCCO2 764547298 JUYNSXCLPIPAPL-LJQANCHMSA-N 282.405 3.536 30 20 CHED C#C[C@H](C)N(C)C(=O)C1(c2cccc(C)c2)CCCCC1 767253109 XOYHLVVLQOVSCL-INIZCTEOSA-N 283.415 3.677 30 20 CHED C=CCN(Cc1cnn(-c2ccc(Cl)cc2)c1)C(C)C 768547934 UGDASXLFBKMAAW-UHFFFAOYSA-N 289.810 3.922 30 20 CHED C=C[C@H](CC)CC(=O)NC1CC(c2ccccc2)C1 931842553 JJGGFKIKQJABFZ-IUDNXUCKSA-N 257.377 3.651 30 20 CHED CC[C@@H]1CCCC1=NNc1ccnc(Br)c1 769811050 WAOXTKMOFMUQBX-SECBINFHSA-N 282.185 3.822 30 20 CHED CCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1OCC 765920303 MYRZCHGFCYCYEF-ZIAGYGMSSA-N 288.391 3.978 30 20 CHED Cc1cc(C)c(C=NNc2ccc([N+](=O)[O-])cc2Cl)[nH]1 760248074 HIQQQLSRWVVIHB-UHFFFAOYSA-N 292.726 3.639 30 20 CHED C#CCCN(Cc1ccco1)Cc1ccc(C)s1 760817967 HCIOYACPKVLAAD-UHFFFAOYSA-N 259.374 3.675 30 20 CHED CCc1ccc(C(C)=NNc2cc(C#N)cc(Cl)n2)o1 768373301 CVDPXOJYUNVPHN-UHFFFAOYSA-N 288.738 3.598 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2coc3ccccc23)c1 768372459 AILLLZFBCJPMCT-UHFFFAOYSA-N 296.717 3.799 30 20 CHED CC1(C)CCC(C=NNC(=S)Nc2cccnc2)CC1 764665793 MKIRSRFQHUVMOY-UHFFFAOYSA-N 290.436 3.570 30 20 CHED CCCCCCCNC(=O)c1cccnc1C(F)(F)F 862358208 YAZRWRAHJNPRGJ-UHFFFAOYSA-N 288.313 3.801 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC/C=C\C1CC1 1117751283 PHDYXJAKVRFSRM-JXCVUKRWSA-N 266.388 3.882 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1sccc1O 769781165 WKBLYFNFHJSDLX-UHFFFAOYSA-N 291.332 3.506 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccncc1 766019963 OAARFCFVZIZPJC-XJKSGUPXSA-N 296.370 3.778 30 20 CHED CC[C@@H]1CC[C@@H](C)N1CC[C@](C#N)(C(C)=O)c1ccccc1 878340195 JXDRHYBFLSEWSJ-LZQZEXGQSA-N 298.430 3.690 30 20 CHED C#CCCCC(=O)N(c1ccccn1)[C@H](C)c1ccccc1 876312223 CAIHTIUIXKBITN-MRXNPFEDSA-N 292.382 3.979 30 20 CHED CC1(C)CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1 773986555 CFMREAOUANVLGJ-VXGBXAGGSA-N 282.343 3.830 30 20 CHED Cc1ccc([C@@H](C)CNCc2cccc(OCC#N)c2)cc1 1118881907 HMWHSZYPFKPVJK-INIZCTEOSA-N 294.398 3.791 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CC(=NO[C@H]1CCCCO1)CC3 778544907 LVLURGYDASSSTO-SFHVURJKSA-N 298.386 3.864 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1ccccn1 776782402 KKJOJYQNQAYMJG-UHFFFAOYSA-N 276.343 3.774 30 20 CHED C[C@@H](C#N)COC(=O)c1cccc(Oc2ccccc2)c1 770949640 LRIAXRPLTUZBGF-ZDUSSCGKSA-N 281.311 3.795 30 20 CHED CC[C@@H](NC[C@H](C)CCC#N)c1ccccc1OC 876927477 DBGCYTVBBWQOMJ-UKRRQHHQSA-N 260.381 3.676 30 20 CHED CC#CCCOC(=O)c1csc(-c2ccc(CC)cc2)n1 1116604827 ZCJXQCMPLOJTDX-UHFFFAOYSA-N 299.395 3.943 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc2cccc(F)c2o1 776390224 UGDLPRBQSPXSRT-UHFFFAOYSA-N 275.279 3.669 30 20 CHED Cn1c(C/N=C\c2ccccc2O)nc2cccc(Cl)c21 773905840 JYKPMWJJZRYUDQ-NVMNQCDNSA-N 299.761 3.551 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)c(O)c1 772799308 BBXQKMUJQQYREF-ALCCZGGFSA-N 281.286 3.608 30 20 CHED C#CCCCCC(=O)Nc1cnc(-c2ccccc2)s1 773583046 RKSAEYNZJFFISD-UHFFFAOYSA-N 284.384 3.942 30 20 CHED C#CCCCCCC(=O)N[C@H](C(C)(C)C)C(F)(F)F 779961895 BCNLFRRMPOWCTD-GFCCVEGCSA-N 277.330 3.663 30 20 CHED N#Cc1cc(/C=C2/Oc3ccc(Cl)cc3C2=O)ccc1F 770574143 WNVNCDPEWADGCU-GIDUJCDVSA-N 299.688 3.967 30 20 CHED N#CCCCN[C@H]1CCCc2c1[nH]c1ccc(F)cc21 886588780 YPWYKXHEKVUTTB-HNNXBMFYSA-N 271.339 3.578 30 20 CHED C=CCCOCCCCC(=O)Oc1cc(F)cc(F)c1 776082048 UXSQZWPXOMBFSR-UHFFFAOYSA-N 284.302 3.633 30 20 CHED C=CCCn1cc(-c2nc(C3CCC3)sc2C)nn1 887494579 JBFXYFSNDGJQLS-UHFFFAOYSA-N 274.393 3.554 30 20 CHED C#CCN[C@H](C)c1ccccc1OCc1ccccc1 775206307 LTHFUSXWKVKVTJ-OAHLLOKOSA-N 265.356 3.549 30 20 CHED C=C1CCC(C(=O)Nc2ccc(N(C)C)cc2C)CC1 888218602 CZSPLUYQGXQTKZ-UHFFFAOYSA-N 272.392 3.746 30 20 CHED COc1cccc(C=NNc2ccc(C#N)c(Cl)c2)c1 783877560 LXOQFRDMBFFZKK-UHFFFAOYSA-N 285.734 3.666 30 20 CHED N#CC1(COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCC1 786493880 NWUDUNNJQYLXGW-NXEZZACHSA-N 295.791 3.742 30 20 CHED C=C1CCC(C(=O)N2CCc3c(F)ccc(F)c3C2)CC1 889431210 VSDNBAMEGCAGEB-UHFFFAOYSA-N 291.341 3.596 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1125640166 ZNQFANANSHUHCA-RISCZKNCSA-N 290.794 3.768 30 20 CHED C#CCCCCCC(=O)Oc1cccc2[nH]ccc12 780395110 PORGOENAFMPNRH-UHFFFAOYSA-N 255.317 3.657 30 20 CHED CCCCC[C@H](C)CC(=O)[C@H](C#N)c1ncc(Cl)n1C 1123337814 UVVOCGKAENXESV-RYUDHWBXSA-N 295.814 3.856 30 20 CHED N#Cc1ccc(F)c(NC(=O)N2CCCCCCCC2)c1 888370784 SBDJAUDEHLPZLZ-UHFFFAOYSA-N 289.354 3.885 30 20 CHED CC#CCCCC(=O)OCc1sccc1Cl 785907307 GVZJGANWCOLBFB-UHFFFAOYSA-N 256.754 3.638 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)O[C@H]1CCC[C@H](C#N)C1 1129724237 GLRKOSYUQYGSGH-XGUBFFRZSA-N 263.381 3.828 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H](SC)C(C)(C)C)c1 783681302 BKCAYFAONKMDDK-BRYYZUPOSA-N 281.421 3.597 30 20 CHED COc1cccc2cc(C(C)=NNc3ccnc(F)c3)oc12 781128144 SDOJNVDGPHWLTP-UHFFFAOYSA-N 299.305 3.812 30 20 CHED C#CCCCN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 781947400 JSDYUPJKKOUBLH-CJNGLKHVSA-N 277.795 3.515 30 20 CHED CCCC[C@H]1CCCC1=NNc1ncncc1Cl 780282268 AOQAYJJVWJXIPX-JTQLQIEISA-N 266.776 3.888 30 20 CHED CC1(C)CC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 781749589 FPBGILSKCBWWIK-NEPJUHHUSA-N 281.359 3.565 30 20 CHED C#CCC1(C(=O)N[C@H]2CCC[C@H](C)C2)CCCCC1 788156702 FWOZHQDFTCUITH-GJZGRUSLSA-N 261.409 3.655 30 20 CHED C=C1CC(c2noc(-c3cccc(C(C)C)n3)n2)C1 896883181 OMLIFPKYHXSMMU-UHFFFAOYSA-N 255.321 3.689 30 20 CHED Fc1cnc(NN=C2CCC3(CCCCC3)CC2)nc1 786035721 HILLTZRDASTZBK-UHFFFAOYSA-N 276.359 3.908 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1cnc2ccccc2n1 783839744 QWJVFHIFBNXMSM-CHWSQXEVSA-N 268.364 3.854 30 20 CHED CCCC[C@H]1CCCC1=NN[C@@H]1CCOC(C)(C)C1 780247662 SZOJUTMKYILDCF-UONOGXRCSA-N 266.429 3.880 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(CC#N)c2ccccn2)cc1 892469443 HUPBOJDBWMZNSV-CQSZACIVSA-N 293.370 3.765 30 20 CHED CC(=NNc1nccc2sccc12)[C@@]1(C)CCCO1 782207532 XZSSNKLUGLAAGG-CQSZACIVSA-N 275.377 3.653 30 20 CHED CC(Cc1ccccc1C)=NNc1cccc(F)n1 795010213 XOPXXEDLXIZWHZ-UHFFFAOYSA-N 257.312 3.560 30 20 CHED Cc1cccnc1NN=Cc1cccc(Cl)c1F 790185639 IKKAGUOTCNOVFM-UHFFFAOYSA-N 263.703 3.629 30 20 CHED Clc1cccc(Cl)c1CNN=Cc1cncs1 793114403 LVAOTQHDUCAEND-UHFFFAOYSA-N 286.187 3.574 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)C(C)C 798553361 YGRXKAZXLUEDAQ-MSOLQXFVSA-N 298.430 3.624 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(Cl)cn1 1202716189 ZLCPYFBYRPHHMD-UHFFFAOYSA-N 287.750 3.617 30 20 CHED N#Cc1cc(C(=O)OC/C=C/c2ccccc2)ccc1F 792323630 JPVBWFPSXQLKSL-QPJJXVBHSA-N 281.286 3.568 30 20 CHED C#C[C@H](NC(=O)[C@H](CCC=C)c1ccccc1)C(C)C 799046039 BELUEZPHPIGLFU-SJORKVTESA-N 269.388 3.510 30 20 CHED C#CCN(Cc1cc(C)ccn1)[C@@H]1CCc2ccccc21 792209665 GKEYUVUKTGPLHH-LJQANCHMSA-N 276.383 3.513 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCN2CCCC[C@@H]12 793521613 CXBACIPXIXNEMH-ULQDDVLXSA-N 264.457 3.728 30 20 CHED CCC[C@](C)(CC)C(=O)[C@H](C#N)c1nc2ccccc2n1C 796617949 HHSCRFULHBEGLU-UGSOOPFHSA-N 297.402 3.966 30 20 CHED CCCCCCCCN1CCN(c2nccs2)CC1 740873617 PLULEMPHZXKXFE-UHFFFAOYSA-N 281.469 3.626 30 20 CHED CC(C)CN(CCC#N)Cc1ccsc1Cl 687991596 INUNGVUUZCTLEL-UHFFFAOYSA-N 256.802 3.773 30 20 CHED C=C(Cl)COC(=O)c1cnc(Cl)c2ccccc12 769191610 DESQNMFOKZSWKU-UHFFFAOYSA-N 282.126 3.798 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCC[C@H]1CCO 779225083 LJNIXUWVQUJTPC-JYJNAYRXSA-N 255.446 3.876 30 20 CHED CCCCCCCCCN1CC[C@H](N2CCCC2)C1 792219383 YLAIJDZGMCLPOZ-KRWDZBQOSA-N 266.473 3.907 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1c[nH]c2ccccc12 1304096994 ZIHAPFRHOPXXHH-UHFFFAOYSA-N 275.311 3.600 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)c1ccc(C#N)c(C)n1 1306999585 NYWCPDSMOWCCLT-HIFRSBDPSA-N 257.381 3.667 30 20 CHED O=[N+]([O-])c1ccccc1/C=C\C=NNCc1ccc(F)cc1 1319277973 NDXNSEFPYHVMQT-OULJEYJISA-N 299.305 3.523 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNCc2ccc(F)cc2)o1 1319193172 WUUUGKRKRDETHU-NHYWBVRUSA-N 272.323 3.666 30 20 CHED C=CCCCC(=O)N1CC(Cc2c(F)cccc2Cl)C1 1319518745 AQKAVSUDWDHBGW-UHFFFAOYSA-N 295.785 3.836 30 20 CHED CC(=NOCC[C@@H]1CCOC1)c1cc2ccccc2o1 1327506587 YFFLIGJVKZJFLZ-ZDUSSCGKSA-N 273.332 3.600 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2cccc(CC#N)n2)CC1 1320365109 WVOXXRXHNWUOSF-CQSZACIVSA-N 271.408 3.800 30 20 CHED C(=NNc1nccc2sccc12)c1cccc2c[nH]nc12 1329397351 KITCKXBQMLORTQ-UHFFFAOYSA-N 293.355 3.619 30 20 CHED Cc1c(C#N)cccc1C(=O)Oc1c(F)cccc1Cl 1321729173 KDRLKWADJGTIAT-UHFFFAOYSA-N 289.693 3.878 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cc(C)nn1C 1327620382 JQEFSKIDPWOADO-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CCCCCCCCNC(=O)[C@H](C)n1cccc1 1323192674 VLCUUMWDZIPIFY-AWEZNQCLSA-N 250.386 3.526 30 20 CHED Cc1ccc(NN=C(Cn2cccn2)C(C)C)cc1Cl 1321324227 IPWOCNNMIMHOGV-UHFFFAOYSA-N 290.798 3.969 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(Cl)nc2)ccc1F 1320250237 XJAXCYLTGLACLD-UTCJRWHESA-N 291.709 3.779 30 20 CHED COc1cccc(O)c1/C=N/C[C@H]1CCc2ccccc21 1338806590 MMOARSUMTWFYKM-ONDHQXCVSA-N 281.355 3.550 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCCC[C@@H]1SCC 1336390424 WCKDAMHTPXQOGQ-STQMWFEESA-N 255.427 3.523 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCC[C@@H]2C)c1 1662637540 IQVFNKJSDQIWFW-WFASDCNBSA-N 271.364 3.567 30 20 CHED C=C(C)CCC(=O)Nc1nc2ccsc2s1 1338851431 NFIRIPATRWJGQO-UHFFFAOYSA-N 252.364 3.653 30 20 CHED C#CC[C@H](CCOC)NCc1cc(Cl)ccc1Cl 1331295683 GKTUZMGZAMALKU-CYBMUJFWSA-N 286.202 3.511 30 20 CHED C=C[C@@](C)(CC)c1nnc(Cc2ccccc2C)o1 1333130355 QCRDPEKSDNKBMF-INIZCTEOSA-N 256.349 3.823 30 20 CHED CCOc1ccc([C@H](C)OC(=O)[C@](C)(C#N)CC)cc1 1265674744 MPEVVDJLBKHQSX-LRDDRELGSA-N 275.348 3.629 30 20 CHED N#C[C@@H](C(=O)c1cc(F)cc(Cl)c1)c1cccc(F)n1 1344587452 QPOZUYFEQWMMBE-LLVKDONJSA-N 292.672 3.503 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)C1=CCCC1)c1cccs1 1263523863 ACHQVBFUGLAKHD-BXUZGUMPSA-N 275.373 3.992 30 20 CHED CC[C@]1(C)CCCN(c2nc(Cl)c(C#N)s2)C1 804519653 BLTRYWRXYMTFEN-GFCCVEGCSA-N 269.801 3.685 30 20 CHED Cc1ccc(O[C@@H](C)C(=O)O[C@H](CC#N)c2ccco2)cc1 1350312306 SQERKEJNIUDODG-XJKSGUPXSA-N 299.326 3.554 30 20 CHED CC(C)(CC(F)(F)F)Nc1nc(Cl)c(C#N)s1 804632030 VPISRLQLFAUGSD-UHFFFAOYSA-N 283.706 3.811 30 20 CHED CCc1cccc2c1N(C(=O)c1cc(C#N)ccc1C)CC2 1519028753 YVESAPNDUSGIEO-UHFFFAOYSA-N 290.366 3.632 30 20 CHED CCC(=O)c1ccc(OCCc2ccc(C#N)cc2)c(F)c1 1459001390 PXXIHWCOFNEQKI-UHFFFAOYSA-N 297.329 3.912 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H]1CC1(C)C 1464910666 KYBLULZSBBHELQ-KBPBESRZSA-N 271.364 3.504 30 20 CHED Cc1ccc(C(=O)Nc2ccncc2C#N)c2ccccc12 1530310482 BUWLSJQHJRGQAN-UHFFFAOYSA-N 287.322 3.667 30 20 CHED O=C(O)CCC[C@@H]1CCCC(=NOCCC(F)(F)F)C1 1601980541 NWFLFWAYHRPDNZ-JTQLQIEISA-N 295.301 3.757 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2cccc(SCC#N)c2)C1 1535807832 DNILJKCPRQYPDZ-YPMHNXCESA-N 275.373 3.648 30 20 CHED CC(C)[C@@H]1CCCCN1CCc1ccc(C#N)cc1 1473166443 WRCXKAKXOVWLLN-KRWDZBQOSA-N 256.393 3.611 30 20 CHED Cc1ccc(C[C@@H]2CCCN2c2cc(C)c(C#N)cn2)cc1 1472694422 RYDUKPKWNLNLOY-SFHVURJKSA-N 291.398 3.782 30 20 CHED C=CCCNc1ccc(C(=O)NCC(C)C)c(Cl)c1 157161145 AYFKFASZWJVMEI-UHFFFAOYSA-N 280.799 3.714 30 20 CHED CCc1nc(C#N)cc(NC2CCC(C3CCC3)CC2)n1 1612630990 LZVDFKOFEQEUJC-UHFFFAOYSA-N 284.407 3.681 30 20 CHED C[C@@H]1CCc2sc(NC(=O)[C@@H]3C[C@@H]3F)c(C#N)c2[C@@H]1C 1544833217 RBGJECHAQLMEPX-CDLYGTGVSA-N 292.379 3.602 30 20 CHED C[C@@H]1C[C@@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 1559069133 BRCHFCRXTYDVQG-CHWSQXEVSA-N 294.402 3.552 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc(F)c(Cl)cc1Cl 119764705 AHHDVOAVBCSBKC-LBPRGKRZSA-N 289.137 3.555 30 20 CHED C[C@H]1CCCC[C@H]1CN1CCN(c2ccc(C#N)cc2)CC1 1654544175 ZTYHBVWCTVALOV-WMZOPIPTSA-N 297.446 3.507 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2Cc1ccc(C#N)c(C)c1 1659541167 UHAMVOBKEOLLCW-OAHLLOKOSA-N 292.382 3.963 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccncc1Cl 1655973774 AMBAMDMYKSKJMV-NSHDSACASA-N 287.750 3.638 30 20 CHED COc1ccc([C@H](C)Nc2nc(C#N)c(Cl)s2)cc1 1655041363 QHRJFGGJEREMJR-QMMMGPOBSA-N 293.779 3.850 30 20 CHED CC[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 1657519763 CWILHYVMZVQOIA-UHOFOFEASA-N 260.356 3.949 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CC[C@H](C(=O)O)[C@H]1C 1595704982 MIKZCLIPYJPQBM-ZNMIVQPWSA-N 297.439 3.695 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1ccco1 1776787053 MCAUAPJXDVPQBI-CYBMUJFWSA-N 267.369 3.573 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C)c(C(=O)O)c2)cs1 1777418628 ZRKMWHKKXDEVKL-AATRIKPKSA-N 286.352 3.959 30 20 CHED C=C[C@H]1CCCN([C@H](C(=O)O)c2ccc(F)c(Cl)c2)C1 1776150256 DPAUZCHKCXQSPQ-HZMBPMFUSA-N 297.757 3.503 30 20 CHED Cc1cccc([C@H]2CCCN2c2c(F)cc(C#N)cc2F)n1 150929796 MBMRHLSWQLFNGL-MRXNPFEDSA-N 299.324 3.881 30 20 CHED C=CCCC(=O)Nc1nc2c(C)c(F)ccc2s1 164849159 YXTVZHIWMOLDGU-UHFFFAOYSA-N 264.325 3.649 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc2ccccc2c1O 168837450 ITKISFLADCWZJP-LLVKDONJSA-N 261.752 3.949 30 20 CHED N#CC1CCN([C@@H]2CCc3c(Cl)cccc32)CC1 151590936 KFXWPAMMKRMDGY-OAHLLOKOSA-N 260.768 3.563 30 20 CHED CCN(C(=O)c1cnc(C(C)C)s1)c1ccc(C#N)cc1 151937488 YYDPLKNDLTUCHK-UHFFFAOYSA-N 299.399 3.805 30 20 CHED C=C(C)COc1cccc(NC(=O)NC2(C)CCC2)c1 153896924 FTLCVOYTPALRKT-UHFFFAOYSA-N 274.364 3.706 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Cl)c(OC(F)F)c1 157758398 RQEHAFYTCAEPOM-UHFFFAOYSA-N 290.697 3.639 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccsc1 157288163 BOKVYANMUGOXAT-UHFFFAOYSA-N 297.383 3.840 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CS1 125430411 XVUHNCRRQKTKSP-KCJUWKMLSA-N 286.322 3.883 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1Cl 907806791 DPQHWKQWXCTUHL-VIFPVBQESA-N 285.174 3.569 30 20 CHED CN(C)c1ccc(CNc2ccc(C#N)cc2Cl)cc1 234266930 LYAGSBRLGGAPRG-UHFFFAOYSA-N 285.778 3.890 30 20 CHED COc1cc(CNc2ccc(C)cc2F)ccc1C#N 234903773 VRAUJLHTRYXTRH-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc2c(s1)CCCCC2 42296718 WOIVGBLLYYLTIE-GFCCVEGCSA-N 290.432 3.639 30 20 CHED Cc1nc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cs1 36991942 QWRSFGXFAAAMCR-QWRGUYRKSA-N 271.389 3.735 30 20 CHED Cc1cc(C#N)cc(NCc2ccc(F)cc2C)c1 308098951 DCMUZCFIMOQIKD-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(C)(C)C(C)(C)CNCc1ccc(C#N)c(F)c1 404150204 RRJOWDYSAOKOGF-UHFFFAOYSA-N 262.372 3.859 30 20 CHED Cc1cc(NCC2(CC#N)CC2)c(Cl)cc1F 310125698 WKGVJBIXUHVSKY-UHFFFAOYSA-N 252.720 3.893 30 20 CHED N#Cc1cccc(CCNCc2ccc(Cl)s2)c1 466423703 RUFRWVOAGSXCRB-UHFFFAOYSA-N 276.792 3.605 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H]1CC[C@@H](C)O1 470913858 SSPASNZACPCYHE-NVXWUHKLSA-N 259.393 3.632 30 20 CHED Cc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1 399069776 DBLNXVNKCCZFMD-UHFFFAOYSA-N 264.372 3.693 30 20 CHED N#Cc1cc(N2CC[C@H](C3CC3)C2)ccc1C(F)(F)F 400030533 GTXJJXTYUSTROY-NSHDSACASA-N 280.293 3.813 30 20 CHED CC(C)COc1ccccc1C(=O)Nc1ccc(C#N)cc1 8073673 YWXWVGOMISDETO-UHFFFAOYSA-N 294.354 3.845 30 20 CHED C=CCNC(=O)[C@@H](C)Sc1ccc2ccccc2c1 8531765 UYQQOBDRYFYETG-GFCCVEGCSA-N 271.385 3.623 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)CCc1ccc(C#N)cc1 10756975 QGBDFQQAWYQHGD-HNNXBMFYSA-N 292.382 3.710 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cc(C#N)ccc2F)n1 11289348 IQGLYTTZJZZCBH-UHFFFAOYSA-N 297.358 3.873 30 20 CHED N#Cc1ccc(OCc2cc(-c3ccccc3)on2)cc1 12991598 NSRQODNVOBELNR-UHFFFAOYSA-N 276.295 3.792 30 20 CHED C[C@@H](C#N)Sc1ncc(-c2ccc(Cl)cc2)o1 14076260 OQFQSINNEZOUEC-QMMMGPOBSA-N 264.737 3.999 30 20 CHED CC[C@H](C/N=C/c1cccc(O)c1O)c1ccccc1 17309551 LOJBKFOQSZHVGC-RNEAKCBISA-N 269.344 3.711 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 28437306 PZQFLVBWYXZSHQ-IAGOWNOFSA-N 294.329 3.634 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1ccco1 35012615 FYOSWVGMTAAYIJ-ZDUSSCGKSA-N 257.333 3.695 30 20 CHED C=CCNC(=O)c1ccc(NCc2ccc(C)s2)cc1 37783652 NWNOSJIHXWGGFT-UHFFFAOYSA-N 286.400 3.584 30 20 CHED COCc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 38010751 CIRJTTKCADLZLR-CQSZACIVSA-N 280.371 3.555 30 20 CHED C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(C#N)cc1 43154953 VWWUGBZDVWDWOV-NSHDSACASA-N 283.306 3.580 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1cc(C#N)ccc1C 49520725 SWSUDDXLPUMOAV-LBPRGKRZSA-N 276.405 3.727 30 20 CHED C[C@](O)(CNc1ccc(C#N)c(Cl)c1)c1ccccc1 52097626 IVEKLVCLXPYLBH-INIZCTEOSA-N 286.762 3.531 30 20 CHED CC[C@@H](CC#N)NCc1cc(Cl)cc(Cl)c1 54183893 GZZYTRHCMZBWAS-LBPRGKRZSA-N 257.164 3.775 30 20 CHED Cc1cc(C)cc(C2(C(=O)Nc3ccc(C#N)cc3)CC2)c1 54856232 QIEHVYKJLLGBJL-UHFFFAOYSA-N 290.366 3.845 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccccc2F)c1 59270221 MCQHGYBLJSOATN-CMDGGOBGSA-N 251.260 3.593 30 20 CHED N#C[C@H](NC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 68457301 BDRWZGQQKHLNPO-NSHDSACASA-N 295.125 3.581 30 20 CHED CC(C)(C)OCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 76154006 XEWCAOOJKLEOJA-DLBZAZTESA-N 286.419 3.573 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1\CCc2c(O)cccc2C1=O 78695187 MHNXXBPGACQAEP-PKNBQFBNSA-N 296.370 3.625 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(OC3CCC3)cc2)cc1 79347551 HJLQKBNBMITOFP-UHFFFAOYSA-N 292.338 3.742 30 20 CHED Cc1cc([C@H](C)Nc2cccc(C#N)n2)c(C)s1 81595874 UIOZZEMLUKEYOL-JTQLQIEISA-N 257.362 3.805 30 20 CHED CC(C)c1cccc(NC(=O)c2cc(C#N)cs2)c1 84070560 GZBOVZNIPMPIQW-UHFFFAOYSA-N 270.357 3.995 30 20 CHED CC1(C)[C@H]2OCCC[C@@H]2[C@H]1Nc1ccc(C#N)c(Cl)c1 85672084 IMVKRDYYSKYBKI-YUELXQCFSA-N 290.794 3.827 30 20 CHED C[C@H](CCO)N(CCCC(C)(C)C#N)Cc1ccccc1 93302933 NSIXHFHEHZYCMD-MRXNPFEDSA-N 288.435 3.589 30 20 CHED N#Cc1csc(CN2CC[C@H](c3ccc(F)cc3)C2)c1 93335725 MZFSDRBPRDQPFT-AWEZNQCLSA-N 286.375 3.748 30 20 CHED CC(C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N 94334957 SRSYJWLEXTWIMF-SECBINFHSA-N 271.286 3.819 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCc1ccc(Cl)c(Cl)c1 101516976 YQWYTGNKORDAEJ-AWEZNQCLSA-N 299.201 3.734 30 20 CHED CCN(CC#N)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 107133179 NMNXBKUGWSQQMW-SNVBAGLBSA-N 299.201 3.544 30 20 CHED Cc1cccc(C2(CNC(=O)C3(C#N)CCC3)CCCC2)c1 119936953 VONVGPRPIBKHSU-UHFFFAOYSA-N 296.414 3.617 30 20 CHED C[C@H](CC(=O)N(C)c1ccccc1C#N)CC(C)(C)C 128662543 FDMNSQKTZRHOHG-CYBMUJFWSA-N 272.392 3.983 30 20 CHED C=CCC[C@H](O)CN1CCCCC[C@@H]1c1ccco1 129658490 UALNYHOAYCMXIE-LSDHHAIUSA-N 263.381 3.524 30 20 CHED C=C[C@@H](CC(=O)NCCCC(C)C)c1ccccc1 131120300 MSDJAEORZWTIBL-HNNXBMFYSA-N 259.393 3.899 30 20 CHED C=CCC[C@H](NC(=O)CC[C@H]1CCOC1)c1ccccc1 133752429 ZXBPENQVXYFVMI-RDJZCZTQSA-N 287.403 3.627 30 20 CHED N#Cc1ccc(N[C@H]2CCc3cc(F)ccc32)c(F)c1 134222899 DCYAWXDEQFOUQS-HNNXBMFYSA-N 270.282 3.936 30 20 CHED CC(C)(CCC#N)CNc1ccc(N2CCCC2=O)cc1 135157077 GULDLWMJKSYIMM-UHFFFAOYSA-N 285.391 3.555 30 20 CHED CC[C@@H]1CN(c2cc(Cl)ccc2C#N)CCS1 135265134 HWUVZKZUPXVVPM-GFCCVEGCSA-N 266.797 3.543 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3cccs3)n2c1 151375637 NLZCQNPSRJJUNG-AATRIKPKSA-N 268.341 3.600 30 20 CHED C=CCCSCc1ccc(C(=O)N2CCCC2)cc1 151943159 OMBIDVXDDYFNBI-UHFFFAOYSA-N 275.417 3.732 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 152043485 MVMAAQMDTINXPS-OUAUKWLOSA-N 281.758 3.663 30 20 CHED Cc1ccc(/C=N/OCc2csc(C3CC3)n2)cc1 152831181 SFLVSOVWZQRGCU-LZYBPNLTSA-N 272.373 3.880 30 20 CHED C=CCCCCCN(C)C(=O)c1ccn(C2CCCC2)n1 155966958 DTEXQMZLDYJIQP-UHFFFAOYSA-N 289.423 3.817 30 20 CHED CCCCCCCCN[C@H](C)c1cn(C)nc1C 160794364 ROVXDRJIUPWGMD-CYBMUJFWSA-N 251.418 3.740 30 20 CHED COc1ccc([C@@H]2CCCN2CCCCC#N)cc1OC 160961181 ZZGCHAKFGUWZQS-HNNXBMFYSA-N 288.391 3.535 30 20 CHED C=CCN(C)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 161771352 LQPQTTZDSWUCEH-LLVKDONJSA-N 285.309 3.843 30 20 CHED C=C(C)CSCc1noc(C2CCCCC2)n1 162350912 OWTHYEBOUFGFPH-UHFFFAOYSA-N 252.383 3.927 30 20 CHED CC[C@H](C)c1ccc(OS(=O)(=O)CCCCC#N)cc1 171954186 UKHDINXAFXIOHG-ZDUSSCGKSA-N 295.404 3.603 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC(C)(C)C)cc1 173695106 NJSYGMHUGRLOOH-LBPRGKRZSA-N 276.380 3.950 30 20 CHED C[C@H](SCc1ccccc1)C(=O)OCC1(CC#N)CC1 174739047 UERXOTBULGHLPO-ZDUSSCGKSA-N 289.400 3.545 30 20 CHED COc1ccccc1CN(CCCC(C)(C)C#N)C1CC1 174823734 LRXULWIJKLMOGM-UHFFFAOYSA-N 286.419 3.990 30 20 CHED CCO[C@@H](CC/N=C/c1ccccc1O)C1CCCC1 176323052 LKWOKGLKZVFZCF-NAVNFMRLSA-N 275.392 3.797 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccs1)C2 176937690 NTXPWJZFGYJZKX-FLIBITNWSA-N 256.326 3.579 30 20 CHED CC(C)(C#N)CCCS(=O)(=O)Cc1ccccc1Cl 178152430 FUGORMBNPRFCIZ-UHFFFAOYSA-N 299.823 3.585 30 20 CHED N#Cc1ccc(COc2ccc(N3CCCC3)cc2)cc1 178195308 BAOGJQKKUKCDFD-UHFFFAOYSA-N 278.355 3.737 30 20 CHED C#CCCCNC(=O)Nc1ccccc1N(C)C1CCCC1 178263962 FGSTYSYEABJLHD-UHFFFAOYSA-N 299.418 3.600 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)O[C@@H]1CC[C@H](C#N)C1 179887802 TVMMJCGHBYBVNC-RBDCFEFUSA-N 289.762 3.979 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSc1ccc(C#N)cc1 182583258 KENJALVJTSVYQB-CYBMUJFWSA-N 288.416 3.511 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1cccs1 184973064 UIRXRXGHMKGSIH-CYBMUJFWSA-N 261.390 3.605 30 20 CHED COC1(CN[C@H](C)c2cccc(C#N)c2)CCCCC1 186504653 YLYAWRUCWAVSKU-CQSZACIVSA-N 272.392 3.558 30 20 CHED C=C(C)CN(C)C(=O)c1coc2cc(C)c(C)cc12 186701594 JFXUVEDFTSEEGY-UHFFFAOYSA-N 257.333 3.698 30 20 CHED C[C@@H](C#N)Sc1nc2cc(F)cc(Cl)c2o1 186807321 SLBIHTDYRILYCM-YFKPBYRVSA-N 256.689 3.624 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](CCCC)COC)c1ccccc1 188128620 HOLVFSMHSARMEJ-DLBZAZTESA-N 289.419 3.668 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](C)c2ccccc21 188241308 OIAKQWMKHGEZHY-KSSFIOAISA-N 287.403 3.756 30 20 CHED C[C@@H](CCNC(=O)C1(C#N)CCCC1)CC(C)(C)C 188860478 FVGZREPQADFLKR-ZDUSSCGKSA-N 264.413 3.649 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N(CCC#N)C(C)(C)CC 189923738 SBOJYOKUORMROR-CHWSQXEVSA-N 252.402 3.599 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C1CCCCCC1 189949382 FWVNTUONPKHMQZ-UHFFFAOYSA-N 264.413 3.888 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(SC)cc1OC 192682253 IIJBEUCAFOBGLW-JTQLQIEISA-N 280.393 3.503 30 20 CHED N#CCCCOC(=O)c1ccc(-c2ccccc2)s1 194455613 WTBRKXPSILGEJF-UHFFFAOYSA-N 271.341 3.876 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccccc2C#N)c1 194587431 KPSANEOIXZCXAR-ZHACJKMWSA-N 277.323 3.853 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCO3)o1 209437554 SLMFIWTVODORRH-ARJAWSKDSA-N 290.702 3.866 30 20 CHED CCC(CC)Nc1ccc(C#N)c(Br)c1 228173064 BERXKYJRMOYDGP-UHFFFAOYSA-N 267.170 3.921 30 20 CHED N#Cc1cc(CN2CC[C@H]3CCCC[C@@H]3C2)ccc1F 229747800 IQNDKLGRLVZFBB-HUUCEWRRSA-N 272.367 3.709 30 20 CHED C=C(C)COc1cc(CNCCC(C)C)ccc1OC 237237328 GZVSIYXZAGPVKZ-UHFFFAOYSA-N 277.408 3.786 30 20 CHED Cc1cc(C)cc(NC(=O)Nc2cccc(C#N)c2)c1 243477192 NMMDQQAOEFQVHY-UHFFFAOYSA-N 265.316 3.819 30 20 CHED CC[C@@H](CNc1ncccc1C#N)c1ccccc1 248258742 VNBZGUWFNUDKJB-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1cccnc1 255597613 RJSNNOKKIOGCJG-KTKRTIGZSA-N 267.328 3.765 30 20 CHED CC1(C)Cc2cccc(/C=C\C(=O)c3ccco3)c2O1 255828191 BFCLWQWWVRTYMY-HJWRWDBZSA-N 268.312 3.889 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 268745992 AQDRWGHONMHDTC-XJKSGUPXSA-N 286.419 3.967 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)c1ccc(CC#N)cc1 270337770 GCWVCXVXIWFFFG-UHFFFAOYSA-N 286.419 3.897 30 20 CHED Cc1nc2ccccc2nc1S[C@@H]1CC[C@@H](C#N)C1 278505646 DJKFBIAIHBDCEX-VXGBXAGGSA-N 269.373 3.723 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1ccc(Br)cn1 279650536 FADXBGPPEZRGQE-MNOVXSKESA-N 283.213 3.849 30 20 CHED C=CCC[C@@H](C)Nc1ccc(F)c(N2CCOC2=O)c1 279816512 PBPIAAGMHOKCMY-LLVKDONJSA-N 278.327 3.549 30 20 CHED Cc1ccc([C@H]2CCN(C[C@H](C#N)CCC#N)C2)c(C)c1 280460032 OKKXKLQVMPAYTD-IRXDYDNUSA-N 281.403 3.536 30 20 CHED CSc1ccccc1CN(C)CCC(C)(C)C#N 280621582 YGRUAKDFKDPWCP-UHFFFAOYSA-N 262.422 3.780 30 20 CHED CC(C)(C)c1cnc(/C=C/C(=O)c2cncs2)s1 280659874 ONFVYDBGFZDHHG-SNAWJCMRSA-N 278.402 3.793 30 20 CHED CO[C@@H](C)CO/N=C(\C)c1csc(-c2ccccc2)n1 286385625 MRALRVGUBCCSGE-GBTTUNCCSA-N 290.388 3.586 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)CCCC#N)cc1 292142749 OUMZRBZBUCGCCM-INIZCTEOSA-N 270.376 3.743 30 20 CHED C=CCOCCSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 292541011 BENBHOOEEJAOIH-OCCSQVGLSA-N 295.452 3.632 30 20 CHED CC(C)(C#N)CCCN1Cc2cnn(-c3ccccc3)c2C1 293047296 HOKOJVWHWKSRTH-UHFFFAOYSA-N 294.402 3.518 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCSc2ccccc21 294372376 NJNBCYGQPYZKJP-LBPRGKRZSA-N 261.390 3.552 30 20 CHED N#C[C@@]1(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)CC12CCCC2 295040060 ANWHAJSCEBCCMK-GPMSIDNRSA-N 294.398 3.523 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cc(C)cs2)cc1 295234301 CVDBQFGSXZHFEZ-AWEZNQCLSA-N 284.384 3.614 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NCCCCC#N 297680568 OFOWCCWYWNROQN-INMHGKMJSA-N 299.418 3.656 30 20 CHED CCS[C@@H]1CCCCN(c2ccc(F)cc2C#N)C1 301402380 RDWDANUPTYSIHY-CQSZACIVSA-N 278.396 3.809 30 20 CHED Cc1cc(F)cc2c(NC3CC=CC3)c(C#N)cnc12 301624563 GRUCJXBVALRGLW-UHFFFAOYSA-N 267.307 3.685 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1Nc1snc(Cl)c1C#N 302367929 CDWGEDFSLQWFQB-MNOVXSKESA-N 299.827 3.674 30 20 CHED Cc1cc(C)cc(N/C(N)=N/CC2(C3CC3)CCC2)c1 305208872 OGAKIESWTIRZIQ-UHFFFAOYSA-N 271.408 3.610 30 20 CHED N#Cc1cccc(OCCCN2CCC3(CCC3)CC2)c1 308741346 CPAJYKHSZUFQJR-UHFFFAOYSA-N 284.403 3.593 30 20 CHED C=CCOCCN[C@H](C)c1cc(Cl)ccc1Cl 310263268 DLMNULLYJOSPCM-SNVBAGLBSA-N 274.191 3.847 30 20 CHED N#Cc1cc(Cl)cc(OC[C@@H](O)CC2CCCC2)c1 311356284 DCFZGQXBKRXHJE-AWEZNQCLSA-N 279.767 3.532 30 20 CHED N#CCOc1ccc(NCc2ccc3ncccc3c2)cc1 316262728 RUSBGSSVXBRJBY-UHFFFAOYSA-N 289.338 3.749 30 20 CHED COc1cc2c(cc1CNc1cccc(C#N)c1)O[C@H](C)C2 316994820 MJEMGRIFJGTSSZ-GFCCVEGCSA-N 294.354 3.502 30 20 CHED CC1(C)CC[C@H](/C(O)=N/[C@@H]2CCCc3c[nH]nc32)C1 329316064 SDUTZSJQKLQYGD-CMPLNLGQSA-N 261.369 3.570 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C(/O)C[C@@H]1CCCC(O)=N1 329354342 YLXAXHGBGKRQTR-AGIUHOORSA-N 266.385 3.811 30 20 CHED Cc1cc(N=C(O)[C@@H]2C[C@]23CCOC3)c2ncccc2c1 329609334 CWDACIUFSNAIAE-GUYCJALGSA-N 282.343 3.558 30 20 CHED Cc1coc2ccc(NC(=O)N[C@@H]3CC[C@H](C#N)C3)cc12 333436895 VODFNYZMFZGFAM-NWDGAFQWSA-N 283.331 3.555 30 20 CHED Cc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cn1 335822951 HZGDGQPGOYZHIO-LJQANCHMSA-N 291.398 3.819 30 20 CHED Cc1ccc(NC(=O)c2cccc(C#N)c2C)c(F)c1 337863677 OTDQVYKYNGUMKG-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=CCCO[C@@H](C)c1nc(C(C)(C)CC=C)no1 340773945 MANGQHURVWVXQP-NSHDSACASA-N 250.342 3.577 30 20 CHED C[C@H](c1ccccc1)[S@@](=O)Cc1ccc(CC#N)cc1 342254487 UIXODLUXXMZRSY-VLIAUNLRSA-N 283.396 3.763 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NCCCC#N)CCCO2 346802549 CVPDLFIELMFMHZ-INIZCTEOSA-N 272.392 3.917 30 20 CHED COCc1ccccc1/C=C(/C)CN(CCC#N)CC1CC1 351395538 HXDQJEQDXCODPC-VBKFSLOCSA-N 298.430 3.862 30 20 CHED COc1c(CNc2nccc(C)c2C#N)oc2ccccc12 352588347 LMPSOGNUCWKQAL-UHFFFAOYSA-N 293.326 3.629 30 20 CHED CCc1ccc(NC(=O)N[C@@H](CC)CC#N)cc1Cl 352658516 ZAADHJMXHBJWFG-NSHDSACASA-N 279.771 3.716 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(F)c(F)cc1F 353418490 DRWABGAQDXTWJG-UHFFFAOYSA-N 284.325 3.866 30 20 CHED C=CCCCCCN1CCCC[C@H]1c1nc(C)no1 353544742 QJCKQUAVLPJONF-AWEZNQCLSA-N 263.385 3.651 30 20 CHED CC(C)C[C@@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 356521558 UETQLLDJJPJQFS-ZBFHGGJFSA-N 272.392 3.625 30 20 CHED C=CCn1cccc1C(=O)N[C@@H]1CCCc2ccc(F)cc21 357463351 YFNVNICFOLSGSE-MRXNPFEDSA-N 298.361 3.621 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCCC12CCOCC2 367086073 JLLCOPRYZIWWPN-LSDHHAIUSA-N 251.414 3.670 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H]1C1CCCCC1 369724862 BBOIFRTYHXEAKX-INIZCTEOSA-N 279.424 3.541 30 20 CHED CC[C@H](Nc1ccc(OCC#N)cc1)C1CCCC1 387529341 JNVBSRWWXBZLBH-INIZCTEOSA-N 258.365 3.970 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cc(OC)ccc1OC 393792105 FLKPHEOBVNEISR-CHWSQXEVSA-N 263.381 3.709 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCCCSCC 409693667 XRBBZXQFYYDKMS-UHFFFAOYSA-N 298.477 3.589 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 410116703 CHGYBEITJJFRQI-VDZJLULYSA-N 283.415 3.752 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OCC)cc1F 412914289 TZKDSOMJJUKWRI-UHFFFAOYSA-N 277.339 3.931 30 20 CHED CCN(CCC#N)Cc1cc(-c2ccccc2Cl)on1 419212513 HFSIMTMWQPOXQW-UHFFFAOYSA-N 289.766 3.731 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCc3ccccc3O2)n1 420507142 XIDGSBRJAHZFDD-CQSZACIVSA-N 284.359 3.990 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H](CN)c2ccc3ccccc3c2)C1 423362179 AYEPEGBFCRBWLE-ZMYBRWDISA-N 293.414 3.512 30 20 CHED C=C(C)CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 428126109 AHDJFSCXBCEIOB-GFCCVEGCSA-N 282.387 3.599 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1cccc(OCC)c1 429871257 LJVXLLWISJVUJQ-CYBMUJFWSA-N 275.392 3.865 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 429965660 OJHJJBNFVLZLRS-HNNXBMFYSA-N 274.408 3.991 30 20 CHED C=CCN(CCC#N)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 430082858 GAEHYLNIKWVYIY-UHFFFAOYSA-N 287.363 3.620 30 20 CHED CC(C)c1nc([C@H](C)NCC2(CC#N)CC2)cs1 430746170 BPGVZZSELQPFEV-NSHDSACASA-N 263.410 3.611 30 20 CHED C[C@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccc(C#N)cc1 431438055 GLOGKJDZVOWOJI-ZJOIDMRUSA-N 282.387 3.562 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCC1CCCCCC1 435742060 LQOQCQMCBJLHEQ-HOTGVXAUSA-N 251.414 3.528 30 20 CHED COc1cccc(C)c1NCC#Cc1ccc(F)cc1 435889263 RRJVASUNKHXXPI-UHFFFAOYSA-N 269.319 3.606 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(CC(C)C)CCCC1 437485173 XNXWMJPAKUPDCO-HZPDHXFCSA-N 293.451 3.690 30 20 CHED CCN(CCC#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 437586167 XRKPIYXFYBHGDX-SJORKVTESA-N 256.393 3.732 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1nc2ccccc2o1 442674656 WVJLCAKBFLDOFM-CYBMUJFWSA-N 291.354 3.892 30 20 CHED CC(C)(CN[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 442708009 IGTLCRFMIFTLFM-IUODEOHRSA-N 276.811 3.899 30 20 CHED CC[C@@H](NCCc1cccs1)c1ccc(C#N)cc1 447517694 LYWJDJWEDYXBBX-MRXNPFEDSA-N 270.401 3.903 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)[C@@]1(C#N)C[C@H]1C 448672106 ZMGYWTYBFFMRKU-AUUYWEPGSA-N 292.382 3.738 30 20 CHED C=CCC1(C(=O)N[C@@H](C)C[C@H]2CCCO2)CCCCC1 448873209 XOZAVGWJCNWDJU-LSDHHAIUSA-N 279.424 3.587 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCO[C@@]2(CCSC2)C1 449198063 ZNVXGMBBCBMDKK-XHSDSOJGSA-N 283.481 3.766 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@@H]2CSc3ccccc32)C1 449367631 XOGQQOVBOGHNMG-MGPQQGTHSA-N 272.417 3.548 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCOC2(CCC2)C1 449475114 FATIKVBQCRSQIV-SOUVJXGZSA-N 251.414 3.526 30 20 CHED CC(C)Oc1ncc(Cl)cc1N[C@H]1CC[C@@H](C#N)C1 449542542 MQXJVYREQMTBRU-PWSUYJOCSA-N 279.771 3.626 30 20 CHED C=CCC1(C(=O)NCCc2ccc(O)cc2)CCCCC1 449816357 WHXGYEMKTNUPCD-UHFFFAOYSA-N 287.403 3.578 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccncc2CC)CCCC1 450391036 LJLIFEJIYUFXBJ-AWEZNQCLSA-N 286.419 3.958 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cc2ccccc2s1 451626366 UAHCMMRCWCLISF-ZDUSSCGKSA-N 273.401 3.915 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)CNc2ccccc2)CCC1 452463963 RDSBJGZJZFKGCM-HNNXBMFYSA-N 286.419 3.740 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cccc([N+](=O)[O-])c1C 453306451 JOCHEQWMVMBBTH-GFCCVEGCSA-N 262.353 3.766 30 20 CHED C=CCC[C@H](N[C@H]1CCO[C@H](c2ccncc2)C1)C1CC1 453341744 IFGAONZNSRLYRM-BZSNNMDCSA-N 286.419 3.636 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cc(C)ccc1OC(F)F 453380968 ZZQNLAFEZRCTLD-CHWSQXEVSA-N 299.361 3.574 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1Br 454129529 BXZNGTMZWGMCJJ-UHFFFAOYSA-N 283.169 3.537 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 454340098 BUNZMVBOJZRWMN-CHWSQXEVSA-N 287.407 3.743 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H](C)C(C)(F)F)c1 454683050 YWACTVMGJUJBNL-LLVKDONJSA-N 298.333 3.807 30 20 CHED C=C(CC)CNC(=O)NCc1c(C)oc2ccccc12 454796812 FOANEEXAHRKMEW-UHFFFAOYSA-N 272.348 3.507 30 20 CHED C=CCC1(NC(=O)[C@H]2OCCc3ccccc32)CCCCC1 456364488 JUNOBKVBGPZEML-KRWDZBQOSA-N 299.414 3.696 30 20 CHED Cc1nn(C)c2cc(Nc3cccc(F)c3C#N)ccc12 461862471 GWMZGWLXOASCDW-UHFFFAOYSA-N 280.306 3.636 30 20 CHED Cc1cc(F)cc2c(=N[C@H]3CCC[C@@H]3C)c(C#N)c[nH]c12 462822877 XLRIVNYBZBFRFQ-BONVTDFDSA-N 283.350 3.576 30 20 CHED N#Cc1cc(F)c(N2CC[C@@H](Cc3ccccc3)C2)c(F)c1 462852747 FZXFINWGNDEUPM-AWEZNQCLSA-N 298.336 3.905 30 20 CHED N#Cc1cnc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(Cl)c1 462906715 BVYGYEMSAXOOCN-YNEHKIRRSA-N 275.783 3.987 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 464756741 QZTJKSAJJWZFGC-DYVFJYSZSA-N 298.361 3.789 30 20 CHED CCCCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 465447644 ZBLLBCJTAXIUKP-SJORKVTESA-N 299.418 3.658 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 466237446 ANEOTQAAFOOKQQ-UONOGXRCSA-N 287.378 3.854 30 20 CHED CC#CCCCC(=O)N1CCC[C@]1(CCC)C(F)(F)F 466873157 HBBBTLUCYAOCDX-CQSZACIVSA-N 289.341 3.904 30 20 CHED C=CCCCCN[C@@H](C)c1ccnn1-c1ccccc1 467356713 XWYCUYYMLIPTBV-HNNXBMFYSA-N 269.392 3.879 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)CCC1CC1 469386686 RPQYRCWXQFMZKB-OLZOCXBDSA-N 252.402 3.609 30 20 CHED C=CCOCCCN1CCC[C@]1(C)Cc1ccccc1 470768610 BOSGRPKYMDTMCE-GOSISDBHSA-N 273.420 3.676 30 20 CHED C=C(C)CN(CCCCCOC)Cc1ccccc1 470908908 KWUQQBWYKMQWOK-UHFFFAOYSA-N 261.409 3.881 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1ccc(C2CCC2)cc1 485572295 SEHQPXFAHSUMPJ-CYBMUJFWSA-N 289.444 3.878 30 20 CHED Cc1nc(N(Cc2ccccc2F)C2CC2)ccc1C#N 487928149 VMKJGUZWUDTFIV-UHFFFAOYSA-N 281.334 3.570 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2cc(Cl)ccc2n1C 489438574 MHUILXLVEIERIT-CYBMUJFWSA-N 289.810 3.767 30 20 CHED CCc1cccc(NC(=O)c2ccc(C#N)s2)c1CC 489474821 RVVPPOABVRGNMS-UHFFFAOYSA-N 284.384 3.997 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H](C)c1ccccc1 489699123 APKQWVBELLQAFO-AWEZNQCLSA-N 259.393 3.899 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCCC1(C)C 489905393 FLVDVCGHYYBTQU-CYBMUJFWSA-N 251.414 3.921 30 20 CHED C=CCN(C)C(=O)C1(c2c(Cl)cccc2Cl)CC1 490988254 LUFZWAGRBPUOQW-UHFFFAOYSA-N 284.186 3.669 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(F)c(Cl)c1 501007553 YGFIRDGUMZAMSU-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)(C)c1ccc(C(C)(C)C(=O)N[C@@H](C#N)C2CC2)cc1 505964685 DLEZLLSUZGRTHY-INIZCTEOSA-N 298.430 3.680 30 20 CHED C=C(C)CCc1noc(-c2ccc(F)cc2F)n1 508644958 IBRFVZIWTHQEFB-UHFFFAOYSA-N 250.248 3.524 30 20 CHED CN(CCC1CCCCC1)C(=O)Nc1ccc(C#N)cc1 510070651 JQIIFDSIHSWUSS-UHFFFAOYSA-N 285.391 3.992 30 20 CHED C=C(CNC(=O)N1CCc2c(F)cccc21)c1ccccc1 512662344 WNRJTYFEKTUSKG-UHFFFAOYSA-N 296.345 3.611 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(OCCC(C)C)cc1 517406011 PPHJIMSPGHXXFZ-KRWDZBQOSA-N 288.391 3.990 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 520262604 NJGBSTYUIJSCLF-MGPLVRAMSA-N 288.322 3.689 30 20 CHED C=C(C)CCNCc1ncc(Cl)cc1Br 527712175 HPXQBXNMFGSWCO-UHFFFAOYSA-N 289.604 3.553 30 20 CHED N#Cc1cc(F)c(N2CCC[C@H]2c2ccccn2)c(F)c1 531385336 PGDIHLMUMWIDKU-HNNXBMFYSA-N 285.297 3.573 30 20 CHED C[C@H]1CCN(C)c2ccccc2N1CCC(C)(C)C#N 538466027 AYFCRTGKLSQXLH-AWEZNQCLSA-N 271.408 3.661 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 538528733 YDZBQOXHJABDIM-BZZMCLGOSA-N 296.414 3.721 30 20 CHED CCOc1ccc(C#N)cc1NCc1cnc(C2CC2)s1 541853970 REILBNBLIQJRBH-UHFFFAOYSA-N 299.399 3.903 30 20 CHED C=CCN(C(=O)[C@H](CC)Oc1ccccc1Cl)C1CC1 544411443 GFBBFGOUORSLOG-AWEZNQCLSA-N 293.794 3.674 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)NCCC(C)(C)C#N 544439654 QNHDSVOAEGMGMK-INIZCTEOSA-N 276.399 3.922 30 20 CHED C=CCC[C@H](NC[C@@H](O)CC(C)(C)C)c1ccco1 552058280 AGJRWNKLBZCANX-KBPBESRZSA-N 265.397 3.674 30 20 CHED Cc1ccc(C#N)c(SCCCc2ccccc2)n1 553057627 NBWJQTGVDXOGLI-UHFFFAOYSA-N 268.385 3.987 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 553582505 XUVWBOGBGLXMPO-VNQPRFMTSA-N 272.392 3.587 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2cc(C#N)c3ccccc3n2)C1 554776738 SHRILKVEBBXBSB-CHWSQXEVSA-N 293.370 3.871 30 20 CHED C=CCC(C)(C)c1noc(Cc2cc(F)ccc2F)n1 556360525 PMFIOJTVMRMQCR-UHFFFAOYSA-N 278.302 3.792 30 20 CHED N#Cc1cc(F)cc(OCc2ccc(Cl)cc2C#N)c1 558038058 SGRIUMRVOUWDKO-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C=CCC[C@H](c1ccccc1)N1C(=O)NC2(CCCC2)C1=O 558283528 ZTBQIVCVMYYNSD-OAHLLOKOSA-N 298.386 3.559 30 20 CHED C=CCn1c(CCCC)nnc1N(CC)C1CCCC1 558457118 RXDOXGOQMRVZOP-UHFFFAOYSA-N 276.428 3.576 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@H](CC(C)C)C1 559003840 HYXKXFNJQKLPSI-OAHLLOKOSA-N 290.455 3.850 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cccc(-n2ccnn2)c1 562056892 MGXHQNXXYBXDES-GJZGRUSLSA-N 284.407 3.663 30 20 CHED C[C@@]1(Cc2cccc(F)c2)CCCN1CCCC#N 566174479 SNZTZTFGHQXMKQ-INIZCTEOSA-N 260.356 3.526 30 20 CHED C=CCCCC(=O)Nc1nc(C)c(C(F)(F)F)s1 569309892 UYQVOVMQWFQOJD-UHFFFAOYSA-N 278.299 3.765 30 20 CHED C[C@H](CC(C)(C)C)C(=O)Nc1ccccc1CC#N 570192910 YCSSBFDKNGQJJN-GFCCVEGCSA-N 258.365 3.763 30 20 CHED CC[C@@H](Cc1ccccc1)NCC(C)(C)CCC#N 570708852 OLINGAKIXAQEPX-INIZCTEOSA-N 258.409 3.927 30 20 CHED CC1(C)CCN(Cc2ccc(C#N)cn2)c2ccccc21 573016278 MNRKOZWLZYCTBR-UHFFFAOYSA-N 277.371 3.641 30 20 CHED C[C@@H](CNCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 576386195 GUPRTRCANWFQJX-NSHDSACASA-N 282.309 3.702 30 20 CHED C=CCCCN(C)C(=O)N[C@@H]1CCc2sc(Cl)cc21 581402850 MTPJFWHEDOLUOX-LLVKDONJSA-N 298.839 3.996 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1coc2ccccc12 581742028 DEMKKRQAGUBBOJ-ZDUSSCGKSA-N 271.360 3.836 30 20 CHED CCN(C(=O)Nc1scc(C)c1C#N)C1CCCC1 583507656 GWPPTSZXDWXJLA-UHFFFAOYSA-N 277.393 3.725 30 20 CHED C[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1ccc(C#N)cc1 584175556 DGHYHRJNYPJGOX-XJKCOSOUSA-N 270.376 3.562 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 585709923 WQDKSIFABQFFKR-OUJBWJOFSA-N 274.751 3.586 30 20 CHED COc1ccc2cc(NC(=O)CCCCCC#N)ccc2n1 588156459 OECGPWVCXWYCGD-UHFFFAOYSA-N 297.358 3.656 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F 588386920 PEMIMPSNLMGSSG-FPLPWBNLSA-N 289.237 3.769 30 20 CHED CCOc1ccc(O)c(/C=N\CC2(OC)CCCCC2)c1 588506972 PWUUKQOWGVZOIG-PDGQHHTCSA-N 291.391 3.559 30 20 CHED N#CCCCCCC(=O)N1CCCSc2ccccc21 588823199 LLJUEYIYIPLVCG-UHFFFAOYSA-N 288.416 3.989 30 20 CHED Cc1nc(C(C)C)ccc1CN1CCC[C@](C)(C#N)C1 590173255 VIBHZOXVZOXUTF-QGZVFWFLSA-N 271.408 3.639 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC(C3CC3)CC2)cc1 590428133 NKSJWTGBXOFCIY-UHFFFAOYSA-N 296.414 3.750 30 20 CHED CC(C)CCCCC(=O)NCc1ccc(C#N)cc1F 590905065 OZFCFCSLJDDIPB-UHFFFAOYSA-N 276.355 3.530 30 20 CHED Cc1cc(C#N)ccc1CN1CCSC2(CCC2)CC1 591041760 JANBSRIOGRKUAW-UHFFFAOYSA-N 286.444 3.728 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NCC(C)(C)CC#N 591243354 ZUKSUHCCQVMKEY-CZUORRHYSA-N 256.393 3.839 30 20 CHED N#Cc1cc(OC[C@H]2C[C@H]3CC[C@H]2O3)ccc1C(F)(F)F 591372359 QVLROGDDEKREBZ-MPKXVKKWSA-N 297.276 3.523 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1coc2ccc(Cl)cc12 593016400 OOCKRMBONIUODO-OAHLLOKOSA-N 290.750 3.754 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 593409780 ZDVSBORCMZNLCT-FZMZJTMJSA-N 276.355 3.579 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 593738029 KSXBOHTWWYTVOW-OSAQELSMSA-N 290.794 3.642 30 20 CHED CC(C)CC1(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 593988584 QJQCQFFUJSYDET-HNNXBMFYSA-N 298.430 3.679 30 20 CHED CCCOc1ccc(CN(C)[C@@H](C)CC#N)c(C)c1 596994542 CPZXOPFXWFCVMP-AWEZNQCLSA-N 260.381 3.518 30 20 CHED CCN(C(=O)[C@H](C)Sc1ccccc1Cl)[C@H](C)C#N 598354471 XYIHOEUAELPWHO-MNOVXSKESA-N 296.823 3.581 30 20 CHED CCN(C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)[C@H](C)C#N 598357361 AXIYAAJBMKBNLK-NXEZZACHSA-N 299.201 3.857 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@H]2CCC[C@@H](C)C2)n1 598854841 VRJJPMSJFYEKIG-RISCZKNCSA-N 285.391 3.725 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@]1(C)CCCc2ccccc21 599735795 WVEIIYVMJRXJBO-GOSISDBHSA-N 298.430 3.727 30 20 CHED CC(C)[C@@H]1C[C@H](NC(=O)C(C)(C)C#N)c2ccccc21 600413976 FOJRVMWIUKESNU-GJZGRUSLSA-N 270.376 3.537 30 20 CHED CC(C)c1cnc(SCc2cc(C#N)ccc2F)[nH]1 600586664 PMBCYPZZNUIMNI-UHFFFAOYSA-N 275.352 3.836 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc(Cl)cc(Cl)c1F 601037122 ONPAXERRCGLZNA-ZETCQYMHSA-N 289.137 3.507 30 20 CHED CC(C)c1cnc(S[C@@H](C#N)C2CC2)n1C(C)C 601077629 XJIJNFWENMMWNF-ZDUSSCGKSA-N 263.410 3.982 30 20 CHED CC1(C)CN(c2ncc3c(c2C#N)CCC3)[C@@H]1c1ccco1 601210216 ORVDTBXTYRDEBB-MRXNPFEDSA-N 293.370 3.622 30 20 CHED Cc1nc2c(s1)[C@H](N(C)C[C@H](C)CCC#N)CCC2 602476828 WURUKXPGLMOWBY-BXUZGUMPSA-N 277.437 3.701 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NC[C@@H](C)CCC#N 602566051 UZWSVSXXIJWVAA-MELADBBJSA-N 254.443 3.580 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 602615266 XMLCSXXQZSSLQU-XYPHTWIQSA-N 290.382 3.575 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 602618223 RQZKXYSTRIYSLI-PKOBYXMFSA-N 299.462 3.523 30 20 CHED CC(C)Oc1cccc(CN(C)CC2(CC#N)CC2)c1 602796684 RNDJQENUQGVVJM-UHFFFAOYSA-N 272.392 3.599 30 20 CHED Cc1cc(C#N)ccc1OCCCOc1ccc(F)cc1 604564799 JEPNXDYVCIDDGR-UHFFFAOYSA-N 285.318 3.854 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2ccccc2F)CCCC1 604880826 XJXBLTTULXYPJA-ZDUSSCGKSA-N 275.367 3.718 30 20 CHED C=CCN(C(=O)COc1cc(C)ccc1F)c1ccccc1 607287856 OPZZUCDHIPOLBI-UHFFFAOYSA-N 299.345 3.732 30 20 CHED CCC[C@@H](Nc1cccc(C#N)c1)c1cccnc1 612876370 LIOFZCXBZBDKAK-MRXNPFEDSA-N 251.333 3.907 30 20 CHED C=CCN(C(=O)[C@@H]1CCCCCC(=O)C1)c1ccccc1 615002953 UDZBYYDEBLKJCT-OAHLLOKOSA-N 285.387 3.745 30 20 CHED C=CCN(C(=O)c1ccc2ccccc2c1)[C@H](C)COC 617574110 SMWVZOXYUMFCKA-CQSZACIVSA-N 283.371 3.503 30 20 CHED Cc1cc(-c2nnco2)ccc1N[C@@H]1CCC[C@@H](C#N)C1 618574983 QPZFJKWRPGECFG-TZMCWYRMSA-N 282.347 3.539 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(F)c1C#N 618693307 DLQDCLKKJKLTTJ-KRWDZBQOSA-N 277.302 3.668 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1c[nH]c2cccnc12 621866377 UCJPPNAKNVKIRC-UHFFFAOYSA-N 297.402 3.771 30 20 CHED C=CCN(C(=O)c1c(F)cc(C)cc1F)C(C)(C)C 622946394 OPCUKCUEDQPBPQ-UHFFFAOYSA-N 267.319 3.700 30 20 CHED C=C1CC(C)(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)C1 631626290 NKTAQMDPYVUSDA-VXGBXAGGSA-N 289.341 3.828 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1[C@H]1CCC[C@@H](C)C1 639402789 CCQPDZYDTAZNHG-KEYYUXOJSA-N 284.403 3.893 30 20 CHED C=CC[C@@H](C)N[C@H](CC)c1cc(OC)c(OC)c(OC)c1 652165891 DCQNHAUGHNUPAW-TZMCWYRMSA-N 293.407 3.718 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](CC)c1c(C)noc1C 664535363 MXLGRZAVERBMEY-CYBMUJFWSA-N 293.411 3.787 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Br)cc(C)c1C 668854098 CAODLXWLGNSLGT-JTQLQIEISA-N 296.208 3.760 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 679231902 HXJZJXKUKXSJJA-AWEZNQCLSA-N 298.390 3.532 30 20 CHED C#CCN(C(=O)c1ccc(Cl)c(F)c1)C1CCCCC1 688831966 ZIYQAPRENZUURC-UHFFFAOYSA-N 293.769 3.887 30 20 CHED C=C(Cl)CNCc1csc(C(F)(F)F)c1 703306933 CFMZVCITEKJKKD-UHFFFAOYSA-N 255.692 3.609 30 20 CHED C[C@@H]1CCCN(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 726433454 ISJATURVUIHDFO-SNVBAGLBSA-N 293.823 3.640 30 20 CHED CC[C@@H](CC(=O)N(CCC#N)CC(C)C)c1ccccc1 728862705 HPIJSOWHLVFTGO-INIZCTEOSA-N 286.419 3.969 30 20 CHED Cc1ccc(NN=Cc2ccc(-c3ccc(F)cc3)o2)nn1 729936823 ZAYDKTJXFKTCBF-UHFFFAOYSA-N 296.305 3.630 30 20 CHED CCC(CC)N(Cc1ccc(OCC#N)cc1)C1CC1 731211445 JUTWEFOFOMSNPA-UHFFFAOYSA-N 272.392 3.742 30 20 CHED Clc1ccccc1C=NNc1cnnc2ccccc12 733748112 HSDMZZAAOOBYRJ-UHFFFAOYSA-N 282.734 3.729 30 20 CHED c1cnc(C(CC2CCCCC2)=NNC2CCCC2)nc1 733901342 LEVDJGDEORKIBG-UHFFFAOYSA-N 286.423 3.683 30 20 CHED C=CC[C@H](NC(=O)Nc1ccc(F)cc1)c1ccncc1 734515730 QAMLMRJRPGWAOE-HNNXBMFYSA-N 285.322 3.660 30 20 CHED C#CCNC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 734653824 MLYLDFNZHKDGAE-AWEZNQCLSA-N 294.354 3.581 30 20 CHED COc1cccc(/C=N/C[C@@H](C)Cc2cccs2)c1O 741465654 XDNTZUKRSAFFJW-OOIIIRTPSA-N 289.400 3.760 30 20 CHED C=CCNC(=S)N1CCC[C@H]1c1cccc(C)c1C 741490908 CSZVNPZHRUKPLU-HNNXBMFYSA-N 274.433 3.501 30 20 CHED C#CCOc1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)cc1 741924495 GPZDFPCJOPLDAC-ZDUSSCGKSA-N 297.329 3.580 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 743084303 MAJJMTXBOKFISQ-IAGOWNOFSA-N 282.387 3.758 30 20 CHED C#CCCOC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 744048793 BNQAXHKJDKMVAS-LLVKDONJSA-N 284.277 3.766 30 20 CHED C#C[C@@H](C)OC(=O)c1sc(-c2ccccc2)cc1OC 744179398 BGHCRDNEYXROSV-LLVKDONJSA-N 286.352 3.602 30 20 CHED C=CCN(C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1)C(C)C 744364084 YZUHYYRUBMPCFX-XHSDSOJGSA-N 281.440 3.783 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC12CCCC2)c1ccc2ccccc2n1 747478684 FXSUUKGPSJAJEI-GJZGRUSLSA-N 290.366 3.991 30 20 CHED COc1cccc(NN=C/C=C\c2ccc(F)cc2)c1 747751151 ICRQKFRUEDEPJL-SRYOLRMTSA-N 270.307 3.945 30 20 CHED Cc1ccnc(NN=C/C=C\c2ccc(F)cc2)c1 747763407 DGPMTDPEZZWXAP-WHPZEVKBSA-N 255.296 3.640 30 20 CHED N#C[C@@H](NC(=O)/C=C\C1CCCCC1)C1CCCCC1 748720355 XSHGBDPHZYHAFQ-YUQCYMQKSA-N 274.408 3.712 30 20 CHED Cc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1 749004631 FJVDPTILROCZLZ-RIYZIHGNSA-N 252.288 3.957 30 20 CHED C=CCN(C(=O)NCC(C)(C)c1ccccc1F)C(C)C 750337066 QZEJVWCWGZRHGG-UHFFFAOYSA-N 292.398 3.709 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3cc(F)ccc3F)ccc21 751522420 KGYQHUACERHHOI-XVNBXDOJSA-N 299.320 3.853 30 20 CHED C#CC(C)(C)NC(=O)Cc1csc2ccc(Cl)cc12 751967850 XKIVMTNOPMTVCE-UHFFFAOYSA-N 291.803 3.625 30 20 CHED CCc1ccc(C(C)=NNc2c(F)cccc2F)o1 752164742 AAUPIBFPHVOQPT-UHFFFAOYSA-N 264.275 3.956 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 753263811 JSLGHBMSZNGMNC-FGTMMUONSA-N 298.430 3.766 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(-c2ccc(F)cc2)s1 754372426 ZLVONAWNNVXFBS-ZDUSSCGKSA-N 287.359 3.696 30 20 CHED CCCC1CCC(C=Nn2c(S)nnc2CC)CC1 755508209 KSIBAVQZAIZPMV-UHFFFAOYSA-N 280.441 3.570 30 20 CHED C(=NNc1ncnc2sccc12)[C@H]1CCc2ccccc21 755589579 WWEWTUSTMXXCSC-GFCCVEGCSA-N 294.383 3.819 30 20 CHED C[C@H](CC=NOCc1cccnc1)c1ccccc1 755802190 QOSLVJSPKIFTJJ-CQSZACIVSA-N 254.333 3.778 30 20 CHED Fc1cccc(Cl)c1CCC=NO[C@@H]1CCCCO1 755823841 SZOVDQPUZLZFQV-CQSZACIVSA-N 285.746 3.941 30 20 CHED CC(=NNc1cc(C)ccn1)c1c(F)cccc1F 755901359 UJWASGRXVDXDTI-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C=C(C)[C@@H](C)OC(=O)CCc1ccc2[nH]ccc2c1 755988612 ALLUKTLGJZZIOB-GFCCVEGCSA-N 257.333 3.608 30 20 CHED C#CCOc1ccccc1CNC(=O)C1(CC(C)C)CCC1 756942648 QORSBPCYRFRYBT-UHFFFAOYSA-N 299.414 3.531 30 20 CHED CCC1(C(=O)OCc2ccc(OCC#N)cc2)CCCC1 757121909 DYGYOYGYNXWGCU-UHFFFAOYSA-N 287.359 3.603 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2sccc2C)c1 757468062 NLQUWQKOIYHLLQ-WAYWQWQTSA-N 274.341 3.667 30 20 CHED CCOc1ccc(/C=N\C2CCC(F)(F)CC2)c(O)c1 761180140 IHNDBNWFYLENMZ-ZDLGFXPLSA-N 283.318 3.788 30 20 CHED C#CCOc1cccc(-c2noc([C@@H](CC)SC)n2)c1 761781397 GUVPWLYGMOOMKE-CYBMUJFWSA-N 288.372 3.563 30 20 CHED C#CCOc1cccc(-c2noc(-c3sccc3C)n2)c1 761782617 WEAFHPZVYMPPPC-UHFFFAOYSA-N 296.351 3.786 30 20 CHED CCCCCCCCCNC(=O)[C@@H]1CCSC1 761874639 IOBJVUXAHBEBNA-CYBMUJFWSA-N 257.443 3.606 30 20 CHED C#CCCc1noc(/C=C/c2cc(C)c(C)cc2C)n1 762000510 HASPPOGPSVUWPU-CMDGGOBGSA-N 266.344 3.731 30 20 CHED C#CCN(CC)C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 766402271 BLDYEOROXBFSMF-SJORKVTESA-N 293.451 3.624 30 20 CHED Cc1ccc(C=NOCCC(F)(F)F)cc1Cl 766478430 QDBLWMVCSNNMOR-UHFFFAOYSA-N 265.662 3.951 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2cc(C)c(C)cc2C)c1 766491339 OCLIAXHOKLPMNM-AATRIKPKSA-N 298.338 3.888 30 20 CHED CC#CCCCC(=O)OCc1cc(-c2ccccc2)no1 767668914 WXGVKZCTMQHIFH-UHFFFAOYSA-N 283.327 3.578 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2cccc(Cl)c2)c1 768379966 KRMSTDHNKYJWQM-UHFFFAOYSA-N 291.141 3.706 30 20 CHED COc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1C 773139662 MNULIVHJWDVWIM-JYRVWZFOSA-N 282.314 3.965 30 20 CHED Cn1ccc(/C=C\C(=O)c2cccc(-c3ccccc3)c2)n1 773153779 NJTZHQVOBCZBKI-KHPPLWFESA-N 288.350 3.983 30 20 CHED C#CCCCCC(=O)OCc1ccc(SC)c(OC)c1 773648372 NXTLWZPYCMNYLE-UHFFFAOYSA-N 292.400 3.654 30 20 CHED CC(=NOC1CCCC1)c1cccc(OC(F)F)c1 774609724 YTIDGNVMXWZDIM-UHFFFAOYSA-N 269.291 3.971 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(COC)cc1 776189614 ILROKKBPMHJCRM-CMDGGOBGSA-N 281.355 3.687 30 20 CHED CC(C)(C#N)CCOC(=O)C1(c2ccc(Cl)cc2)CC1 776357595 QSYUQEOILHNUAF-UHFFFAOYSA-N 291.778 3.855 30 20 CHED COc1cccc([C@@H](C)CC(=O)OCCC(C)(C)C#N)c1 776391955 KDTLWMXJLWKTMM-ZDUSSCGKSA-N 289.375 3.672 30 20 CHED COc1ccc(NN=C(C)c2ccc(C#N)c(F)c2)cc1 776775595 HIMYACGCYJNDHP-UHFFFAOYSA-N 283.306 3.542 30 20 CHED CSCCC=NNc1nc2ccccc2cc1C 776784047 GGDQZJNPAUCMOZ-UHFFFAOYSA-N 259.378 3.694 30 20 CHED C=CCN(C(=O)c1cc(C)n(-c2ccc(C)cc2)n1)C(C)C 776805307 DZDZFGSXMFWBBQ-UHFFFAOYSA-N 297.402 3.526 30 20 CHED CCNc1ccc(C#N)cc1NCc1ncc(C(C)(C)C)o1 776849346 KCWRWNJODZQNGO-UHFFFAOYSA-N 298.390 3.888 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC2(COC)CC2)cc1 777239185 UZVYUVZBBRHSOJ-CYBMUJFWSA-N 295.810 3.648 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)c1ccc[nH]1)c1ccccc1 777762629 MHECFTHWRTXMIW-ZFWWWQNUSA-N 268.360 3.552 30 20 CHED C#CCCCCCC(=O)Nc1cccc(-n2cccc2)c1 779798554 PESIUCSRDGRCAH-UHFFFAOYSA-N 280.371 4.000 30 20 CHED Fc1ccc(Cl)cc1C=NNc1ccc2[nH]ncc2c1 779820653 LNUQXAXLOMXEED-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 779904174 VRGLPAHOQDDTSN-HZPDHXFCSA-N 263.425 3.901 30 20 CHED Fc1cc(NN=C2CCC[C@H]2c2ccccc2)ccn1 781129836 MBLSXKATYTWUME-AWEZNQCLSA-N 269.323 3.956 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)Cc2cc(O)ccc21 782353293 ZWOXTBQQOVECDM-YRNVUSSQSA-N 283.352 3.549 30 20 CHED C[C@H](OC(=O)/C=C/c1ccc(O)cc1)c1ccc(C#N)cc1 782439272 HWXIODPEZDGOOK-VKUYVZBCSA-N 293.322 3.581 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)c1cccc(F)c1 783511948 XCGCFWJPVSSICZ-UHFFFAOYSA-N 286.306 3.750 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1nc2ccccc2n1C 783829242 ZOIWLUDELWCSOZ-OLZOCXBDSA-N 270.380 3.797 30 20 CHED Fc1ccccc1C=NOCc1ccc(C(F)(F)F)cn1 783870754 SEHRTXLQLFGIJV-UHFFFAOYSA-N 298.239 3.790 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(C)s1 785539610 WDWHYPQPMWJKOQ-BXUZGUMPSA-N 251.395 3.836 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)[nH]1)c1cccc2ccccc12 786083084 YRRQSLZGGLXONA-GFCCVEGCSA-N 290.322 3.958 30 20 CHED CC(=NNc1ccnc(F)c1)c1csc(Cl)c1 787161538 BOIWXEDOPBSEJX-UHFFFAOYSA-N 269.732 3.772 30 20 CHED C#CCC1(C(=O)OCc2cc(F)ccc2C#N)CCCCC1 788218475 SDTLHVRJUCPXIZ-UHFFFAOYSA-N 299.345 3.714 30 20 CHED CC[C@@H]1CCC[C@@H](C=NN[C@H](CO)c2ccccc2)C1 788456986 XTZHOFWKWWEAFN-BFYDXBDKSA-N 274.408 3.512 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CC=C(C)CC2)c1 788646071 QMJALZWZHKUNGD-IAGOWNOFSA-N 284.403 3.956 30 20 CHED CC(=NNCC(F)F)c1ccc(OC(C)C)c(Cl)c1 789020708 MIASSQNYVGTMSP-UHFFFAOYSA-N 290.741 3.706 30 20 CHED CCON=Cc1ccc(-c2cccc(F)c2F)o1 790155322 GLVQDNFKEQRLGW-UHFFFAOYSA-N 251.232 3.595 30 20 CHED CCO[C@@H]1CC(=NNc2ncccc2C)C12CCCC2 790188457 ZEAPQQXNRXTMCH-CQSZACIVSA-N 273.380 3.527 30 20 CHED Cc1cccnc1NN=C1CCc2cc(Cl)ccc21 790189769 DJEGKDHXOZPHKH-UHFFFAOYSA-N 271.751 3.806 30 20 CHED CC(=NNc1nccn1C)c1ccc(-c2ccccc2)o1 790305687 MQTGOEIDORCZMW-UHFFFAOYSA-N 280.331 3.516 30 20 CHED C#CCCCNc1cnn(-c2cccc(C#N)c2)c1CCC 790323363 ZHUXVUAXACTGFF-UHFFFAOYSA-N 292.386 3.522 30 20 CHED C=CC[C@@H](NC(=O)N1CC(C2CCCC2)C1)c1ccncc1 793030310 TUOQPQPLSPIVLJ-QGZVFWFLSA-N 299.418 3.530 30 20 CHED C[C@]1(C=NOCc2ccc(F)cc2)CCCS1 793040873 JSIQXYLHUFFVSU-CYBMUJFWSA-N 253.342 3.614 30 20 CHED C[C@H](NN=Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C 793113486 FZAGCPRYRJHZLW-VIFPVBQESA-N 283.759 3.606 30 20 CHED CC(C)CC(=NN[C@H](C)C(C)(C)C)c1ccccn1 793115985 QOMJUXPCRFZNBP-CYBMUJFWSA-N 261.413 3.856 30 20 CHED CC(C)C[C@@H]1CCC[C@H](NCc2ccc(C#N)cn2)C1 793153250 PBAQDYPWWAAIPG-HOCLYGCPSA-N 271.408 3.648 30 20 CHED CC(=NNc1cncnc1)C1(c2ccccc2)CCCC1 794976129 DONQOGWMEFTWHQ-UHFFFAOYSA-N 280.375 3.776 30 20 CHED Cc1cccc(CC(=NNc2ncccc2F)C2CC2)c1 794990776 QAOKLIJYQHPAQI-UHFFFAOYSA-N 283.350 3.950 30 20 CHED COCCCON=C[C@@H](C)c1ccc(C(F)(F)F)cc1 795050437 CDBNBRMWOXRZRB-LLVKDONJSA-N 289.297 3.848 30 20 CHED C[C@H](C#N)OCCS[C@H]1CCc2cc(Cl)ccc21 795382359 MGWQVZQTTQJTLV-YGRLFVJLSA-N 281.808 3.989 30 20 CHED C=CCCCCCOC(=O)C[C@@H]1CCC[C@@H](OC)C1 796070233 VWCSWMHDAZUWLK-HUUCEWRRSA-N 268.397 3.871 30 20 CHED C#CCCCNC(C)(C)c1ccc(OCCC)cc1 796577022 WMRHGGCVYRZMHY-UHFFFAOYSA-N 259.393 3.714 30 20 CHED C#C[C@@H](NC(=O)c1ccc(-c2cccs2)nc1C)C(C)C 799046396 IAHPPTWYYWRVOW-CQSZACIVSA-N 298.411 3.506 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2cccc(F)c2)cc1C#N 799343140 ASPSVRMLSMHEBX-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1CCO[C@@H](C)C#N 801915214 LATMHDCKTPWSPR-JQHSSLGASA-N 286.419 3.573 30 20 CHED FCCCCON=C(c1ccccc1)C(F)(F)F 803428611 KMJAVVAAECZMRB-UHFFFAOYSA-N 263.234 3.719 30 20 CHED C=CCCCCCCNC(=O)N[C@@H]1CC=CCC1 806834084 VGONDUKFUWOHBJ-CQSZACIVSA-N 250.386 3.531 30 20 CHED C[C@@H]1CCCCC1=NNc1nccnc1C1CCC1 807992820 LKVHGJWIGPCDRB-LLVKDONJSA-N 258.369 3.722 30 20 CHED CSC1(C(=O)Oc2cc(C)c(C#N)c(C)c2C)CCC1 809033746 GBMIDRMDVQJKKN-UHFFFAOYSA-N 289.400 3.675 30 20 CHED C#CCOc1ccc(CN(C)[C@H](CC)c2ccncc2)cc1 809766510 ZNPUTBWRYAOCFV-LJQANCHMSA-N 294.398 3.677 30 20 CHED C=CCCCCCCCN[C@@H]1CCN2CCC[C@@H]2C1 810243829 VJVBAKGEYQPJDT-IAGOWNOFSA-N 264.457 3.729 30 20 CHED N#CCC1(OC(=O)c2cccc3ccsc23)CCC1 810859612 PPDWBGZVEKZWFX-UHFFFAOYSA-N 271.341 3.894 30 20 CHED C#CCCOc1ccc(CN2CC(C)(C)[C@H]2C2CC2)cc1 811512923 ARGSTEXRYMRHRN-GOSISDBHSA-N 283.415 3.709 30 20 CHED Clc1cccc2c1CCCC2=NNC[C@@H]1CCSC1 811658556 ZOUVHWZTVBVLTB-NSHDSACASA-N 294.851 3.723 30 20 CHED Fc1cccc(C2CC(=NOC/C=C/Cl)C2)c1 811669269 NORAQRSUTVHZSZ-CVBJPCJQSA-N 253.704 3.828 30 20 CHED CCC(=NOC/C=C/Cl)c1cc(C)ccc1OC 811669762 IXFCJOQDBIRCRE-PPBRYCEMSA-N 267.756 3.887 30 20 CHED COc1ccc(Cl)cc1C(C)=NOC/C=C\Cl 811670123 YFTLUXMHLWWBMK-QKDPKPEMSA-N 274.147 3.842 30 20 CHED Cc1ccc2c(c1)/C(=C/c1cccc(F)c1C#N)C(=O)N2C 811700348 JYHMSBAWAOVBRZ-ZROIWOOFSA-N 292.313 3.523 30 20 CHED Clc1ccc(Cl)c(NN=C[C@@H]2CCCOC2)c1 814860236 DNVXGSUDYZMOGS-VIFPVBQESA-N 273.163 3.818 30 20 CHED CC(C)c1cnc(C=NN[C@H]2CCCC2(C)C)s1 814917930 WGIZGOBUGWHUJA-LBPRGKRZSA-N 265.426 3.769 30 20 CHED CCc1nocc1C=NNCc1c(Cl)cccc1Cl 814938678 RHUKWJRNMVETKR-UHFFFAOYSA-N 298.173 3.668 30 20 CHED C=CCC(F)(F)C(=O)OCc1cccc(OC(C)(C)C)n1 815313992 BSKOCQRYZQQWCD-UHFFFAOYSA-N 299.317 3.514 30 20 CHED Cc1ccc(F)c([C@@H](C)OC(=O)c2ncc(C#N)cc2C)c1 815998499 SFMDMJBJEJZQJJ-GFCCVEGCSA-N 298.317 3.627 30 20 CHED C=CC[C@H](OC(=O)c1ncc(C#N)cc1C)c1ccccc1 816030715 ZKGZSICVNBTKCA-INIZCTEOSA-N 292.338 3.736 30 20 CHED C=CC(C)(C)CNC[C@H](O)c1ccc(Cl)cc1Cl 819345762 MUGTXTPRROVTKE-ZDUSSCGKSA-N 288.218 3.829 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc3c(c2)[C@@H](O)CCCC3)C1 827024924 FKURODMXIYTWCD-IFIJOSMWSA-N 270.376 3.551 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2c(C)cc(C)cc2O)c1 834903769 RJKHMCVTMBDRQH-HNNXBMFYSA-N 279.383 3.841 30 20 CHED CCC(CC)Oc1ccc(C(=O)OC(C)(C)C#N)cc1 835224120 WNKMMHJXZLUOMV-UHFFFAOYSA-N 275.348 3.713 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)O[C@@H](C#N)C(C)(C)C 835291825 TZMMLTAQIUCJCY-AWEZNQCLSA-N 274.364 3.609 30 20 CHED C=CC(C)(C)COC(=O)[C@@H](C)[C@H]1OCCc2sccc21 835722326 QWEATYGGYHZZSM-SMDDNHRTSA-N 294.416 3.753 30 20 CHED C#C[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 836786299 RUCRACMOLSUDTR-SDDRHHMPSA-N 296.197 3.625 30 20 CHED CC(C)(C)C#CC(=O)Nc1cc(Cl)ccc1NC1CC1 837448410 XYHSFFWURXOFAL-UHFFFAOYSA-N 290.794 3.902 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2ccc[nH]2)CCCCC1 838529879 XIHWMEXHXILMDI-ZDUSSCGKSA-N 275.396 3.654 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(C(F)(F)F)cc2)C1 839043772 NTLXMPOYPAFGSF-GXFFZTMASA-N 297.276 3.945 30 20 CHED Cc1oc(C(C)C)cc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839061969 JJPUHPZIJDMOGC-OLZOCXBDSA-N 275.348 3.951 30 20 CHED Cc1ccc([C@@H](NCC2(C#N)CCC2)C2CC2)cc1 841898828 PHRNXNAOGJUWJG-MRXNPFEDSA-N 254.377 3.730 30 20 CHED C#C[C@@H](OC(=O)CCCC(=O)C(C)(C)C)c1ccccc1 842392093 IEUCBCQYYPTBBT-OAHLLOKOSA-N 286.371 3.690 30 20 CHED C#C[C@H](NC(=O)c1cc(C(C)C)oc1C)c1ccccc1 843643108 PVZDTVSLOVOMJK-INIZCTEOSA-N 281.355 3.816 30 20 CHED C=C[C@H](C)ON=C(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 844621239 FBCMGZLOIBXVHJ-RYUDHWBXSA-N 276.336 3.740 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@@H](F)C1 845199796 DSSQVMZLWAYKIW-CQSZACIVSA-N 270.392 3.657 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@H](C)CSc1ccccc1 846712835 KQFVOSRRUSVRDO-GFCCVEGCSA-N 298.839 3.561 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)C1CCSCC1 851144571 RXLOEHJGXXXEOX-GXTWGEPZSA-N 268.422 3.808 30 20 CHED CC(CCCCCCC(=O)O)=NN1CCCC[C@H]1C 853381812 MIUMLRQXJBFANY-CQSZACIVSA-N 268.401 3.662 30 20 CHED CC(=NNc1nc2ccc(Cl)cc2s1)[C@@H]1CCOC1 853438776 NFHCRZNCZKGBOE-SECBINFHSA-N 295.795 3.774 30 20 CHED C=CCCC(C)(C)NC(=O)CC[C@@H]1CC1(Cl)Cl 856374861 JCLNECYSBCSACO-SNVBAGLBSA-N 278.223 3.821 30 20 CHED CCCCCCCNC(=O)Nc1nnc(C(F)F)s1 860519875 IDBXRAGSQFDJND-UHFFFAOYSA-N 292.355 3.568 30 20 CHED C#C[C@H](OC(=O)CCCc1ccccn1)c1ccc(C)cc1 860964949 ZWGIDIKIZLOZOT-SFHVURJKSA-N 293.366 3.630 30 20 CHED CCCCCCCNC(=O)CCc1cccnc1Cl 862354580 BOTYUIPZKDERNS-UHFFFAOYSA-N 282.815 3.754 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OCCC)c(F)c1 863534997 VEWPSZADKFEASW-UHFFFAOYSA-N 287.281 3.764 30 20 CHED C=C1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 864252813 HHMNUANQTAXTHY-UHFFFAOYSA-N 270.376 3.749 30 20 CHED N#Cc1cc(Cl)c(C(=O)N[C@H]2CC23CCC3)c(Cl)c1 874784752 LRCOGZJWAPQRET-NSHDSACASA-N 295.169 3.537 30 20 CHED C#CCC1(C(=O)Nc2nc(C(C)C)co2)CCCCC1 875986045 OVKASDIQJRNDGM-UHFFFAOYSA-N 274.364 3.710 30 20 CHED C=C1CCC(C(=O)Nc2ccc([C@@H](C)C(=O)O)cc2)CC1 887325087 FUVVHLFDIUFEMB-GFCCVEGCSA-N 287.359 3.560 30 20 CHED C=C1CCC(C(=O)Nc2cc(F)c(F)cc2F)CC1 888818778 RZYUMDBFWWNWIX-UHFFFAOYSA-N 269.266 3.789 30 20 CHED CCc1cc(N2CCC[C@@H](C#N)C2)c2ccccc2n1 895650748 NHFAHYWTETUJSF-ZDUSSCGKSA-N 265.360 3.537 30 20 CHED C=C1CC(c2noc(Cn3ccc4cc(OC)ccc43)n2)C1 896885023 UDNWLDALOBXKNX-UHFFFAOYSA-N 295.342 3.515 30 20 CHED C=C1CC(c2noc(C3(c4ccccc4)CC3)n2)C1 896891451 VDQKRBFSZRLTHP-UHFFFAOYSA-N 252.317 3.583 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1c(Cl)c(C)nn1C)C2 901473322 CBGZSLPCKTZCBS-WQLSENKSSA-N 286.762 3.513 30 20 CHED N#Cc1cc(N2CCC[C@@H]2c2ccc(F)c(F)c2)ccn1 911904818 SFWQBLCNJZRFDU-MRXNPFEDSA-N 285.297 3.573 30 20 CHED CCc1ccccc1NN=Cc1cc(F)ccc1F 915960090 YDMSOXVVYKNIOR-UHFFFAOYSA-N 260.287 3.973 30 20 CHED COc1cc(C(C)=NNc2cccc(Cl)c2)ccc1O 916268232 RPMSYFHMHIFAJZ-UHFFFAOYSA-N 290.750 3.890 30 20 CHED N#CCC[C@H](C#N)CN1CCC(C2CCCCC2)CC1 917010096 PLYPPSNYJAIZLS-OAHLLOKOSA-N 273.424 3.722 30 20 CHED Cc1cc(C)cc(NN=C2COc3ccc(F)cc32)c1 918153529 ZAAGKKVCJSNYSP-UHFFFAOYSA-N 270.307 3.651 30 20 CHED CCCCCCCCOC(=O)c1c(C)nn(C)c1Cl 918493627 AFXSWIYTWZOFNR-UHFFFAOYSA-N 286.803 3.899 30 20 CHED COc1cccc(/C=N\C[C@H](C)c2ccc(F)cc2)c1O 920176987 BXJNYRUCGNACKK-XHEYCZLTSA-N 287.334 3.763 30 20 CHED CCc1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 920942964 IRLZDQDVLVQYLC-UHFFFAOYSA-N 270.288 3.613 30 20 CHED CCOc1ccc(C=Nc2ccccc2C)c(O)c1 920943322 CXVHUZCZIGVVML-UHFFFAOYSA-N 255.317 3.850 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC(C)(C)C#N 921887944 MAEUSDYRHNUOHM-HOCLYGCPSA-N 299.418 3.514 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](c1ccccn1)C1CC1 932380192 ACALXRFIZAGOIA-SFHVURJKSA-N 277.371 3.503 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C 934165585 CZPGYHBBHLKPRA-ZDUSSCGKSA-N 298.390 3.629 30 20 CHED Cc1cc(C)cc(C2CCN(C[C@H](C#N)CCC#N)CC2)c1 934801734 RFFYCIZVDMGVEO-KRWDZBQOSA-N 295.430 3.926 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)Cc1ccccc1Cl 1116892246 MPGATCRGVGOXBT-QRTARXTBSA-N 293.838 3.842 30 20 CHED C=CCOc1ccccc1C(=O)N(CC(F)F)C1CCC1 1119449777 GCBIEEKRYHGBKF-UHFFFAOYSA-N 295.329 3.511 30 20 CHED CCC[C@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl 1136288833 JDWWDYDJTFVUGS-QMMMGPOBSA-N 285.174 3.783 30 20 CHED Cc1ccc2oc(CNc3ncccc3C#N)cc2c1 1163733087 AHDICHPQYJACCC-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CCO[C@@H]1C[C@H](N(C)C[C@@H](C)CCC#N)C1(CC)CC 1204334830 MOXVNYKGDNPQSL-HRCADAONSA-N 280.456 3.842 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)Nc2cc(F)cc(C#N)c2)C1 1208346037 KJHWUKDMLBMUHZ-RYUDHWBXSA-N 289.354 3.645 30 20 CHED COc1ccccc1CON=Cc1ccc2c(c1)CCC2 1256543550 SECXXGIUALKUAC-UHFFFAOYSA-N 281.355 3.735 30 20 CHED N#CCCCC(=O)OCCSc1cccc(Cl)c1 1261589928 UKDAAOVPKRWYRC-UHFFFAOYSA-N 283.780 3.669 30 20 CHED C=CCC1(CNC(=O)c2cnoc2C(C)C)CCCC1 1263837725 OLNZXDPHKCDVQM-UHFFFAOYSA-N 276.380 3.664 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1264187818 JZQGZXCAMWEOHM-ZUZCIYMTSA-N 276.767 3.976 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)[C@@H]1CCCC[C@H]1C 1307687300 YXPQQNLRCCWCLR-RHSMWYFYSA-N 286.419 3.967 30 20 CHED Cn1ccc2cccc(NC(=O)Nc3sccc3C#N)c21 1310956061 BNBKXPMPFYMFFS-UHFFFAOYSA-N 296.355 3.755 30 20 CHED C=C[C@H](COC)N[C@@H]1CCSc2c(Cl)cccc21 1320592392 QGUXINKOVCERJB-ZWNOBZJWSA-N 283.824 3.668 30 20 CHED N#Cc1ccnc(/C=C\c2cc(F)cc(Cl)c2)c1 1322819895 MNKYPXKCNSLWIU-UPHRSURJSA-N 258.683 3.916 30 20 CHED CC[C@H](NCc1cccc(OCC#N)c1)c1ccccc1F 1323557538 ZXZYLBYYIBYODP-SFHVURJKSA-N 298.361 3.969 30 20 CHED CCCCOC(=O)[C@H](C)Sc1cccc(F)c1C#N 1327553106 XJHDNXTUWWWDFN-JTQLQIEISA-N 281.352 3.521 30 20 CHED CC#CCN(C)C(=O)c1nc(-c2ccccc2)oc1C(C)C 1327912841 GPNHXZHOLADKES-UHFFFAOYSA-N 296.370 3.560 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2CC[C@H](C3CCC3)CC2)nc1 1331184210 XYPKJZWRMUAOIL-WKILWMFISA-N 298.386 3.603 30 20 CHED CC(C)[C@H](C)C(=O)N(c1ccccc1C#N)C1CCC1 1332589960 ZTPHACOSAACVJF-ZDUSSCGKSA-N 270.376 3.736 30 20 CHED CCCCCCOC(=O)C1(c2cccc(C#N)c2)CC1 1334263694 DPZWMCWBICPAJI-UHFFFAOYSA-N 271.360 3.713 30 20 CHED COC[C@H](Nc1nc(C)cc(C)c1C#N)c1ccc(F)cc1 1338155228 LUONFCBBEFMJMK-INIZCTEOSA-N 299.349 3.509 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1sccc1C#N 1341894767 NNUHGELHEUEQAD-CMPLNLGQSA-N 277.393 3.662 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)C(F)=C1CCCC1 1343723859 KIUPQRKNHYCQNP-CYBMUJFWSA-N 287.334 3.553 30 20 CHED CC[C@H](C)c1nnc(C(C)(C)Oc2ccc(C#N)cc2)o1 1345862507 NIKBRBKVCANIDK-NSHDSACASA-N 285.347 3.769 30 20 CHED CCCCCCCCc1nnc(Cc2ccncc2)o1 1345972031 KCORUYYQUVKJOX-UHFFFAOYSA-N 273.380 3.958 30 20 CHED N#C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(F)n1 1347105992 BVPKIDWCRXSNKU-UDMGLPGGSA-N 298.361 3.613 30 20 CHED C=C(C)CCC(=O)Nc1ccc(CN(C)C)c(Cl)c1 1353676839 AIGUOAPACWFCEA-UHFFFAOYSA-N 280.799 3.696 30 20 CHED CCCC1CCN(c2ncc(Cl)c(C)c2C#N)CC1 1472713648 PJVHCFVRCLRYFX-UHFFFAOYSA-N 277.799 3.932 30 20 CHED CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1Nc1ccc(C#N)c(C)n1 1472744738 CNDNRVHXECGZPN-LYRGGWFBSA-N 287.407 3.513 30 20 CHED Cc1cc(SCc2ncccc2C)ccc1C#N 1473048861 DMDBGWDBZNVWRR-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CSc1cc(C(=O)Nc2ccc(CC#N)cc2)c(C)o1 1523229060 MILKLUXPFSVRCJ-UHFFFAOYSA-N 286.356 3.628 30 20 CHED C=C(CNC(=O)c1cc(SC)ccc1O)c1ccccc1 1556904558 OIYVWIVHOPXEJG-UHFFFAOYSA-N 299.395 3.557 30 20 CHED N#Cc1ccc(Oc2ccc(Nc3cnccn3)cc2)cc1 1559085377 KCRCEFBSVBXFCS-UHFFFAOYSA-N 288.310 3.884 30 20 CHED CCC[C@H](CCc1ccccc1)N=c1cc[nH]c(C#N)c1 1559115081 NHBVPVDOXXVTGI-MRXNPFEDSA-N 279.387 3.589 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 1565812392 VEUDBCRYJWMULF-PWSUYJOCSA-N 292.329 3.535 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)CC1 1585221017 YCXJNPMZUOUQBO-BXUZGUMPSA-N 290.794 3.910 30 20 CHED C=CCCCN[C@H](C(=O)O)c1cccc(Cl)c1Cl 1588804031 WPZAWYZSKZHTLB-LBPRGKRZSA-N 288.174 3.675 30 20 CHED N#CCc1cccc(NCc2cccc(OC(F)F)c2)c1 1620939873 YQBHNAAWBFPEDB-UHFFFAOYSA-N 288.297 3.966 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 1639418006 QAUZUQUXMCJGMM-ZFWWWQNUSA-N 297.402 3.897 30 20 CHED COC(=O)[C@H](CC(C)(C)C)Sc1cccc(F)c1C#N 1641162875 KUTNIIYLBHUKIF-ZDUSSCGKSA-N 295.379 3.767 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(CC(C)C)c[nH]2)c1 1642592618 UZYKFLWYXZWNDG-UHFFFAOYSA-N 281.359 3.646 30 20 CHED CC(C)[C@]1(C)C[C@H]1Nc1ncc(C#N)cc1Br 1642770988 KQMLMYYMIPCBEV-YPMHNXCESA-N 294.196 3.562 30 20 CHED CN(Cc1ccc(C#N)cc1OC(F)F)c1ccsc1 1646536328 ANJDZDXDNHSHDL-UHFFFAOYSA-N 294.326 3.858 30 20 CHED CCc1ccc(C2CCN(c3ccncc3C#N)CC2)cc1 1651301122 ADQJBQZYHQEJAP-UHFFFAOYSA-N 291.398 3.900 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)c1ccccc1Cl 1651883634 DXGYHLRQZUDKIJ-VIFPVBQESA-N 275.714 3.919 30 20 CHED C=CCON=C(C)c1ccc(-c2ccc(C(=O)O)o2)cc1 1776060508 YAWFCZUBLUUHKL-UHFFFAOYSA-N 285.299 3.571 30 20 CHED Cc1cccc(C(=O)/C=C/c2csc(C(=O)O)c2)c1 1776126910 AWFTYONEAAMXAZ-AATRIKPKSA-N 272.325 3.651 30 20 CHED O=C(/C=C/c1ccc(C(=O)O)c(F)c1)c1ccc(F)cc1 1776131574 VNQDHANJCKFIHT-KRXBUXKQSA-N 288.249 3.559 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1OC(F)F)OCC 339440638 MEMZBBBMCRJQBX-CYBMUJFWSA-N 299.317 3.598 30 20 CHED C[C@@H]1Cc2ccccc2N(Cc2ccc(C#N)cc2F)C1 109586498 ROHXCQOWEISDEA-CYBMUJFWSA-N 280.346 3.896 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccccc2)cn1 103124234 OTDLDLBLLPBNMH-UHFFFAOYSA-N 268.316 3.779 30 20 CHED C=CCCOC(=O)c1ccccc1C(=O)c1cccs1 103648270 XAHDYNGZQQAJLE-UHFFFAOYSA-N 286.352 3.712 30 20 CHED C=C(C)COC(=O)c1c(C)c(CC)nc2ccccc12 57470239 GREHANCYLWQITJ-UHFFFAOYSA-N 269.344 3.839 30 20 CHED N#Cc1ccc(CNCC2(Sc3ccccc3)CC2)o1 174374685 SVOVUBMVIRYSRZ-UHFFFAOYSA-N 284.384 3.566 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cnn(CC)c2)cc1 111998553 ACQMHJHJSIASPU-DHZHZOJOSA-N 268.360 3.752 30 20 CHED CCN(CCC(C)(C)C#N)[C@@H](C)c1cccc(O)c1 119672102 QKDLJZRDWYRBJR-ZDUSSCGKSA-N 260.381 3.715 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@](C)(CC)C2)c1 174785566 WSSCZUXWVNZVMD-KRWDZBQOSA-N 270.376 3.712 30 20 CHED C/C(=C\C(=O)OCCCC#N)c1cccc(C(F)(F)F)c1 173812374 BZSFDXQCSGRMQN-PKNBQFBNSA-N 297.276 3.956 30 20 CHED CC(C)CSCCCSc1cc(C#N)ccn1 119146616 KRIXCNBNAUDZHL-UHFFFAOYSA-N 266.435 3.825 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 174086773 BIUHTTGLHPQRLI-QZTJIDSGSA-N 298.430 3.768 30 20 CHED Cc1nc(N[C@H](C)CC#N)c2c3c(sc2n1)CCCC3 171365957 VVEMBGDZPQMXDJ-SECBINFHSA-N 286.404 3.593 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(Br)c1 116995873 UJOZFSMKNSOMNQ-SECBINFHSA-N 283.169 3.535 30 20 CHED Cc1cccc(CCC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 116812195 WDMIGYVKPVQMEF-CRAIPNDOSA-N 284.403 3.516 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2cc(F)ccc2F)cn1 60212564 YYBMEQLQSPHIRE-ZZXKWVIFSA-N 276.286 3.638 30 20 CHED C=CC1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 111710983 HWPXVLOHRXHWBI-UHFFFAOYSA-N 299.418 3.717 30 20 CHED CC(C)(C)C(=O)CS[C@H](C#N)C1CCCCC1 176950789 HEMBFNIJXAGKJK-GFCCVEGCSA-N 253.411 3.807 30 20 CHED CCCOc1cccc(NC(=O)c2cccc(F)c2C#N)c1 186649907 ACROFDBLMQWYHI-UHFFFAOYSA-N 298.317 3.738 30 20 CHED CCN(Cc1c[nH]c2ccccc12)C(=O)C1(C#N)CCCC1 189531136 WDRKBTHRJIQRSR-UHFFFAOYSA-N 295.386 3.600 30 20 CHED CCCCCC[C@@](C)(CCC)C(=O)N[C@@H](C)C#N 173865299 NCDLMZRRYKRMQZ-DZGCQCFKSA-N 252.402 3.791 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1(C)CCCC1 62905375 GUGBDRCJXMJYFF-UHFFFAOYSA-N 282.387 3.653 30 20 CHED Cc1ccccc1OCCCOc1ccc(C#N)c(F)c1 303380292 VRRDAIDIGIIYOL-UHFFFAOYSA-N 285.318 3.854 30 20 CHED CCCc1ccc(C(=O)Nc2cc(C#N)ccc2OC)cc1 64455359 DVGUBCIWBJBVJO-UHFFFAOYSA-N 294.354 3.772 30 20 CHED CCCCCCC[S@@](=O)Cc1ncc(C)s1 179783356 BNPFWKGVVUXTSN-MRXNPFEDSA-N 259.440 3.671 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2cc3ccccc3o2)o1 127794697 BOCPBCSEYAQLET-SNVBAGLBSA-N 285.328 3.877 30 20 CHED Cc1c(CNc2cccc(C#N)n2)oc2ccc(F)cc12 301259240 FQXRVNXAAHKHPY-UHFFFAOYSA-N 281.290 3.759 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2C[C@@H]3OCCC[C@@H]32)c1 302556883 LPPAWXAXJJSLNW-QKCSRTOESA-N 296.292 3.556 30 20 CHED C[C@H](CC#N)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 64318514 RAELUCDYWXTVKX-GFCCVEGCSA-N 290.794 3.570 30 20 CHED COC1([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)CCC1 414298924 HOHUECNIBOEVEZ-KSSFIOAISA-N 298.430 3.873 30 20 CHED N#Cc1ccc(Cl)cc1N1CCOCC2(CCCC2)C1 302345210 CHIVCWQBNLWOKL-UHFFFAOYSA-N 290.794 3.609 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H]2C[C@@]2(C)CC)c1C#N 127808926 JYFJZZZQONIOSS-SWLSCSKDSA-N 276.405 3.865 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)[C@H](C)CC)c1ccccc1 187103179 JBISDSNSKIKQTD-YCPHGPKFSA-N 259.393 3.897 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 408409013 ZHKTYGMWQFVKJF-HUUCEWRRSA-N 288.391 3.794 30 20 CHED Cc1ccccc1OCCCNc1ccc(C#N)cc1 301163740 CEEWIIWPYOVEQN-UHFFFAOYSA-N 266.344 3.748 30 20 CHED N#Cc1ccc(NCCc2ccc(C(F)(F)F)cc2)nc1 73868590 RPERPDJMHUASQK-UHFFFAOYSA-N 291.276 3.627 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCCC[C@@H](C)C1 187618612 PLLKNXJCJJKYIH-GFCCVEGCSA-N 271.364 3.521 30 20 CHED CCN(CCCSCC#N)[C@H](C)Cc1ccsc1 187807829 KJNPWDUCJZPRJD-CYBMUJFWSA-N 282.478 3.648 30 20 CHED CCN(CC#N)C(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 506772481 APGJYMIQIABQBW-CSLYMUCUSA-N 290.451 3.991 30 20 CHED CCC[C@@H](C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505954341 NMVUPTNQOHTBNX-ZWNOBZJWSA-N 298.308 3.822 30 20 CHED C=CCN(Cc1cc(C)nc2ccccc12)C1CC1 357550898 HTRGFFSMFLYMSM-UHFFFAOYSA-N 252.361 3.694 30 20 CHED CC[C@H](C#N)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 122239618 FSWIAYWXBMNRFK-AEFFLSMTSA-N 279.387 3.566 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1c(F)cccc1F 78451669 GHSOMDIHPZZAGS-UHFFFAOYSA-N 295.333 3.758 30 20 CHED Cc1cc(NC(=O)C2CCCCCC2)c(C#N)cc1N(C)C 415692268 MESHYPRYRCUFPL-UHFFFAOYSA-N 299.418 3.842 30 20 CHED Cc1nc(Sc2ncc(C#N)cc2Cl)sc1C 78447303 KOGUVXNZJDFGPD-UHFFFAOYSA-N 281.793 3.831 30 20 CHED COc1c(OCC2(C#N)CCC2)ccc2ccccc12 419086840 YNQQWFYRMNTIIZ-UHFFFAOYSA-N 267.328 3.921 30 20 CHED C=C(C)CN(C)C(=O)CCCc1ncc(-c2ccccc2)o1 180420483 VMMXEZHSZQYGAG-UHFFFAOYSA-N 298.386 3.699 30 20 CHED N#CCc1cccc(NCc2ccccc2N2CCCC2)c1 313430426 TZACFELQOZQXCJ-UHFFFAOYSA-N 291.398 3.965 30 20 CHED CC(C)(CCC#N)CNCc1ccc(OC(C)(C)C)nc1 180889192 CITIQCSVXWJDEB-UHFFFAOYSA-N 289.423 3.678 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1c(C)cccc1C 188528367 XNURNOOKWXDGSB-KRWDZBQOSA-N 259.393 3.564 30 20 CHED Cc1cc(C#N)cc(NCc2cn(C(C)C)nc2C)c1 449758322 FWBBKBUYHCTLLW-UHFFFAOYSA-N 268.364 3.565 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(SC)cc1 188061536 IYNKPMZPGDLQOL-HNNXBMFYSA-N 279.405 3.576 30 20 CHED CC(C)(C)C(=O)N1CCC(CSCCCCC#N)CC1 185615102 ZJZCQCQXAGTBRV-UHFFFAOYSA-N 296.480 3.698 30 20 CHED CCC[C@@H](C)C(=O)Nc1cccc(C#N)c1Br 416079308 MVMDYBUZKJNHBM-SECBINFHSA-N 295.180 3.695 30 20 CHED O=C(/C=C/c1cccnc1)c1ccc(C(F)(F)F)cc1 44027428 VAJWFUHRQPZIMD-FPYGCLRLSA-N 277.245 3.997 30 20 CHED C=C[C@@H](C)NCc1ccc(Br)cc1Cl 130451604 HLIXPYNGRYMDDT-MRVPVSSYSA-N 274.589 3.767 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CCCC(F)(F)C1 410009789 INQZZLZOPHJHTR-RYUDHWBXSA-N 259.340 3.673 30 20 CHED N#CCCCC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 412600600 JCTSKYRLESYGNS-DZGCQCFKSA-N 290.794 3.786 30 20 CHED CCn1cc(CC(=O)O[C@H](C)C(C)(C)C#N)c2ccccc21 130606857 VEJCQLSDZMCDPJ-CYBMUJFWSA-N 298.386 3.685 30 20 CHED CC1(C)C[C@H](/N=C(/O)c2cccnc2C2CC2)C(C)(C)O1 329617701 DTMZAHSSDQLTLM-ZDUSSCGKSA-N 288.391 3.610 30 20 CHED CC(C)Oc1ccc2ccccc2c1CN(C)CCC#N 83217504 VQJLCSWYPIJFQQ-UHFFFAOYSA-N 282.387 3.972 30 20 CHED CCC(CC)CN(CC)Cc1ccc(C#N)s1 508674242 YIWWDJXMKRSXDP-UHFFFAOYSA-N 250.411 3.878 30 20 CHED Cn1cc(CN[C@@H]2CCC(C)(C)c3ccccc32)cc1C#N 190958729 LYEPULYAWRHYSB-GOSISDBHSA-N 293.414 3.799 30 20 CHED CC(C)CC(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 84692364 UXBFLUQCOJNHOO-ZDUSSCGKSA-N 297.402 3.822 30 20 CHED CC1=C(/C(O)=N/C[C@@H](C)c2c(C)noc2C)CCC1 328643008 FDIRRMRQCVZDGR-SNVBAGLBSA-N 262.353 3.852 30 20 CHED C#CCOc1ccccc1OCc1ncc(C(C)(C)C)o1 131525236 LFSVMKKSJRHMAM-UHFFFAOYSA-N 285.343 3.563 30 20 CHED CC(C)(C#N)CCSc1ccc(Br)cn1 87596288 UCHHVSJOUVJUSN-UHFFFAOYSA-N 285.210 3.876 30 20 CHED Cc1ccc(C(=O)N2CCc3ccc(C#N)cc32)c(Cl)c1 427026286 IIOVLRRPNUXDBU-UHFFFAOYSA-N 296.757 3.723 30 20 CHED N#CCC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 133938755 MIKBDPOVMASZPY-MRXNPFEDSA-N 298.773 3.654 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2cccc(C)c2)C1 424774292 HKMNNSOHCRVREV-MRXNPFEDSA-N 271.404 3.913 30 20 CHED CCCCCCCCC(=O)NCc1ccc2c(c1)CNC2 134522357 ZWPVHQMDIXGXNS-UHFFFAOYSA-N 288.435 3.657 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)NCCCC1CCCC1 46889551 KKOBOHZXLMJXNR-UHFFFAOYSA-N 299.418 3.670 30 20 CHED CCC[C@H](C(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 41494154 AFOMDFJFGFRMEP-HOTGVXAUSA-N 278.355 3.842 30 20 CHED O/C(=N/[C@@H]1CCCC[C@@H]1c1ccccc1)c1cncnc1 329567478 LEEDPTCTPZMMQD-HZPDHXFCSA-N 281.359 3.508 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(Cl)s1 130488740 JZUKXPSIFFJKGQ-SNVBAGLBSA-N 259.802 3.645 30 20 CHED CCCCc1nc(CNc2ccc(Cl)c(C#N)c2)no1 172858474 ACNQIOPLEFOCSE-UHFFFAOYSA-N 290.754 3.549 30 20 CHED C=CCC[C@@H](CCC)NC[C@]1(C)C[C@H]2CC[C@H]1O2 424284667 CYAUDQRXRCKEQZ-FPCVCCKLSA-N 251.414 3.669 30 20 CHED CC1(C)CCC(/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CC1 329883121 QTAVNPWSGWOXPU-AWEZNQCLSA-N 288.391 3.931 30 20 CHED CC(C)CCC[C@H](C)NC(=O)NCc1cccc(C#N)c1 42321841 AGXRXYWTKWHMLX-AWEZNQCLSA-N 287.407 3.572 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc(F)cc1Cl 264215107 GGTXUDHWFKGRND-UHFFFAOYSA-N 296.773 3.881 30 20 CHED CC1=C[C@H](C)C[C@H](CNCc2ccc(C#N)s2)C1 421350418 LMDRDOPHQINZHO-AAEUAGOBSA-N 260.406 3.702 30 20 CHED COc1cc(C)cc(N/C(O)=N/CCC(C)C)c1C 331127591 IEGNGEDHJJNHBH-UHFFFAOYSA-N 264.369 3.684 30 20 CHED C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 335583559 IILPKPWASXXVIK-ZWNOBZJWSA-N 291.782 3.716 30 20 CHED CO[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)C(C)C 337247047 OVIYJEDPPRBKTK-ZDUSSCGKSA-N 286.297 3.660 30 20 CHED CCc1ccnc(C/N=C(/O)N[C@@H]2CCC[C@@H](CC)C2)c1 331232533 JIAJGMGJABXRBB-UKRRQHHQSA-N 289.423 3.616 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C(/O)c1ccc(C#N)c(O)c1 331260397 BDOLYJLMJNQLPB-RISCZKNCSA-N 272.348 3.537 30 20 CHED Cc1c(NC(=O)[C@@H]2CCC(C)(C)C2)ccc(C#N)c1C#N 421564653 ZYTSYMIBHFLEPT-GFCCVEGCSA-N 281.359 3.503 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 424794881 UOVZDFBPCGQYNX-UHFFFAOYSA-N 285.309 3.665 30 20 CHED CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H](C)C#N)cc1 334305292 GJHHVRKRTZETKO-XJKSGUPXSA-N 270.376 3.633 30 20 CHED N#CCC1CCN(c2ncc(-c3ccccc3)s2)CC1 335979801 DSWNPODCGJOMNS-UHFFFAOYSA-N 283.400 3.940 30 20 CHED CC1(C)C[C@@H]1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 338060734 LLCDBFHEFKRJKH-KCJUWKMLSA-N 297.185 3.720 30 20 CHED COCc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 425365092 IRYYGBMOLDJVQF-OAHLLOKOSA-N 294.398 3.898 30 20 CHED CC(C)n1ncc2cc(NCc3cc(C#N)cs3)cnc21 93685480 FLPIQUBFSMJFFY-UHFFFAOYSA-N 297.387 3.557 30 20 CHED CC#CCSc1nnc(C[C@H](C)c2ccccc2)o1 97599352 RGSLXECOZRKCGF-LBPRGKRZSA-N 272.373 3.531 30 20 CHED CCc1cnc(COc2c(C)cc(Cl)cc2C#N)o1 515009555 ISYZBDXMADSMQI-UHFFFAOYSA-N 276.723 3.650 30 20 CHED Cc1ccsc1C/N=C(/O)c1cc(C(C)(C)C)on1 330893977 ZBHVHWDDENGWQI-UHFFFAOYSA-N 278.377 3.847 30 20 CHED Cc1cnc([C@H](C)N2CC=C(c3ccc(C#N)cc3)CC2)o1 336379010 DCSSXAJEKXQSOX-AWEZNQCLSA-N 293.370 3.705 30 20 CHED C=CC(C)(C)C(=O)Nc1cncc(Cl)c1Cl 334721285 ZMGVEOJFVCJAGM-UHFFFAOYSA-N 259.136 3.539 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1csc(-c2ccoc2)n1 334856973 DZOOSRRVKHXVRR-GFCCVEGCSA-N 288.372 3.584 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCC(F)(F)C1)CC2 334685149 ABEDGQDUCPEJHK-SWLSCSKDSA-N 276.330 3.571 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 338118878 NGRWJEGBKWXDPV-MJEQTWJJSA-N 282.387 3.517 30 20 CHED N#Cc1ccc(/C=C/c2ccc3ncccc3c2)nc1 339188110 PGDNJYPTXXHWRY-ZZXKWVIFSA-N 257.296 3.672 30 20 CHED CCCN(CC1CCCCC1)C(=O)NCC1(CC#N)CC1 431202965 MHDNLJVLQFHZCB-UHFFFAOYSA-N 291.439 3.682 30 20 CHED CCCC[C@@H](CC)CC(=O)NC1(C#N)CCCCC1 524214418 LIFQXEHUFDXWAW-CQSZACIVSA-N 264.413 3.936 30 20 CHED CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1cccc(C#N)c1 437920855 HGFVHLFMMGYXDN-LBPRGKRZSA-N 299.296 3.657 30 20 CHED Cc1ccc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)s1 98125220 SIWONIGSJCLQFB-VOTSOKGWSA-N 274.389 3.973 30 20 CHED CN(CC(C)(C)C#N)c1ccc(C(F)(F)F)c(C#N)c1 432128309 DJYAJPGRTOXGLV-UHFFFAOYSA-N 281.281 3.563 30 20 CHED CC(C)CC(=O)N(CC(C)C)c1ccc(C#N)cc1 346462254 INYYDBMIPSLJGM-UHFFFAOYSA-N 258.365 3.593 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F 248755263 GDCCPFGAONQANF-DMDPSCGWSA-N 264.319 3.698 30 20 CHED Cc1c(Cl)cnc(N(C)Cc2cccs2)c1C#N 343484291 ZHQABZOPENRPMO-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C[C@H](Sc1cc(C#N)ccn1)c1ccc(F)cc1 340138701 RDJJEXOAIRFYKQ-JTQLQIEISA-N 258.321 3.946 30 20 CHED Cc1ccnc(N(C)[C@H](C)c2cc(F)ccc2F)c1C#N 343512839 OOMJPJAAALKCNC-LLVKDONJSA-N 287.313 3.737 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2cc(OC)ccc2C1 527191925 YTCRCUHFIHPRPM-GOSISDBHSA-N 287.403 3.572 30 20 CHED C[C@H](C#N)CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 526986002 RSFHGYIUYYMZDE-CHWFTXMASA-N 268.813 3.643 30 20 CHED CN(Cc1ccc(C#N)cc1F)[C@H]1CCc2ccccc2C1 524424170 ZJBWMEPONQNNJS-SFHVURJKSA-N 294.373 3.687 30 20 CHED C[C@H](C#N)C(=O)N[C@H](CC1CCCCC1)C(C)(C)C 609921535 IFKGFKLWCKXGCU-TZMCWYRMSA-N 264.413 3.647 30 20 CHED C[C@@H](CN(C)[C@H](C)c1ccc(C#N)cc1)c1nccs1 248456071 LIHPLJGRNCOLHF-QWHCGFSZSA-N 285.416 3.811 30 20 CHED CCCN(Cc1ccccc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 524892972 VJPMJZUJFQUZNS-RCCFBDPRSA-N 298.430 3.584 30 20 CHED C[C@@H](C(=O)N(C1CCC1)C1CCC1)c1cccc(C#N)c1 346735965 UPXZEXWSGKCINP-CYBMUJFWSA-N 282.387 3.595 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C#N)oc1C 437190330 OEHAVHCROPKQKX-UHFFFAOYSA-N 294.354 3.678 30 20 CHED N#Cc1cccc(C#N)c1NCc1cccc2cc[nH]c12 436341424 HRFRYDPJQVHEHU-UHFFFAOYSA-N 272.311 3.523 30 20 CHED CCCCc1ccc(C2=NN(C[C@@H](C)C#N)C(=O)CC2)cc1 601933685 FWQOGODJEMYGPS-AWEZNQCLSA-N 297.402 3.515 30 20 CHED N#Cc1cnccc1/C=C/c1cccc(Cl)c1F 349107006 JDPLTQLEMBRXPQ-SNAWJCMRSA-N 258.683 3.916 30 20 CHED O=C1/C(=C/c2cncs2)CCC/C1=C\c1cncs1 255322114 NOEKHIMRUZITCH-ZVSIBQGLSA-N 288.397 3.820 30 20 CHED C=CCOCC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 440863542 XJUDNKCZTCKOQF-SQVRQVGWSA-N 299.414 3.674 30 20 CHED Cc1cc(CN[C@@H]2C[C@@H]2Cc2ccccc2)ccc1C#N 443982663 DPIYUBNEOGUBNT-RBUKOAKNSA-N 276.383 3.588 30 20 CHED C=CCCC(=O)Nc1cccc(C(=O)c2ccccc2)c1 522576355 JWRMQIDGNCBMQS-UHFFFAOYSA-N 279.339 3.822 30 20 CHED C[C@@H](CNc1c(C#N)cnc2c(F)cc(F)cc12)C1CC1 609570867 HSHLOGVWIMXJQK-VIFPVBQESA-N 287.313 3.843 30 20 CHED Cc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1Br 442859782 REWOGUMJAWMMAI-YPMHNXCESA-N 293.208 3.539 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1cccc(CC)c1 606902239 DOWJIAQARYMNJY-UHFFFAOYSA-N 288.435 3.866 30 20 CHED N#CCC1(CN2CCCCC[C@H]2c2ccco2)CC1 602777326 FVBVLRGMKJOEIC-AWEZNQCLSA-N 258.365 3.891 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CC[C@H](C)CC 354078118 NLQYYBFBMFKGSL-GFCCVEGCSA-N 273.380 3.755 30 20 CHED N#C[C@@H](COC(=O)/C=C\c1ccccc1)Cc1cccs1 255071743 FOQMLTUWXOGIFX-CDNLZTBQSA-N 297.379 3.687 30 20 CHED COc1ccc2cc(/C=C\C(=O)c3cnccn3)ccc2c1 254988358 HGSDWSWJULSZKJ-CLTKARDFSA-N 290.322 3.535 30 20 CHED C=CCCCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 539796413 TUGBAXADIPMCOB-GUYCJALGSA-N 257.377 3.783 30 20 CHED CCC[C@@H](C)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 269691610 ONAIPWWEDCTKLL-ZBFHGGJFSA-N 287.407 3.861 30 20 CHED N#Cc1ccc(CNCCc2cccc(Cl)c2Cl)o1 537257407 RARHHYJQHZZVPP-UHFFFAOYSA-N 295.169 3.790 30 20 CHED C[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H]1C 443513916 YIMKZDUOGXXQNP-NXEZZACHSA-N 283.297 3.597 30 20 CHED C[C@H]1CCC[C@H](c2noc(C3(C#N)CCCC3)n2)C1 356229248 XWVWXPAHZXLIJK-RYUDHWBXSA-N 259.353 3.699 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CC=C(c2ccc(F)cc2)CC1 449517466 FXSXANDQYYMAEV-KURKYZTESA-N 287.378 3.695 30 20 CHED C[C@@H](CCC1CC1)N[C@@H]1CCc2ccc(C#N)cc21 353593755 DVKIUZIPXMSLDS-YVEFUNNKSA-N 254.377 3.714 30 20 CHED C=CCCCCCN(C)CCC(=O)N(C)c1ccccc1 441152473 JKIZHWUHTFCCJX-UHFFFAOYSA-N 288.435 3.718 30 20 CHED CC(=O)Nc1cccc(CSc2ccc(C#N)cc2)c1 358293076 ICSUJZYRGGMRNI-UHFFFAOYSA-N 282.368 3.809 30 20 CHED C=CCC(CC=C)C(=O)N=c1[nH][nH]c(C)c1-c1ccccc1 531833225 JURDRFQLCNLIOM-UHFFFAOYSA-N 295.386 3.514 30 20 CHED N#C[C@]1(F)CCN(Cc2nc(C3CCCCC3)cs2)C1 618308034 BQACMDNVRRFHCU-OAHLLOKOSA-N 293.411 3.628 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)C(C)C)C1 617779492 BMRUZZOHRZUYMB-NVXWUHKLSA-N 286.419 3.636 30 20 CHED C=CCC1(NC(=O)CCCC2CCCC2)CCOCC1 618247874 MSLLRHWRQIWIMU-UHFFFAOYSA-N 279.424 3.588 30 20 CHED CC1(C)CCc2ccccc2[C@@H](NCC2(C#N)CC2)C1 440621949 ZZGKBMDXDMMQHI-INIZCTEOSA-N 268.404 3.984 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CSC[C@@H]2C)c1 449056281 ZYALQMMXFTTZBD-SWLSCSKDSA-N 263.406 3.805 30 20 CHED C=CCC(CC=C)C(=O)N[C@](C)(CC)C(F)(F)F 532343608 ACKLVFBXTQOXCX-GFCCVEGCSA-N 263.303 3.602 30 20 CHED C=CCN(C(=O)C[C@@H](CC)c1ccccc1)[C@H](C)COC 617578701 OZJMLVFDSQYQAC-HZPDHXFCSA-N 289.419 3.620 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@H](C)C2)c1 263658262 OZNXGSTYTSKQNM-ZDUSSCGKSA-N 274.364 3.515 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 532334435 DHYIFJSUJYLMBW-WFASDCNBSA-N 273.376 3.788 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CSc3ccccc32)C1 617784446 SGOIOXZOKNOPCB-HIFRSBDPSA-N 287.428 3.691 30 20 CHED N#CCOc1ccc(CN(Cc2cccs2)C2CC2)cc1 264165247 UHRBLCLQTFLLFQ-UHFFFAOYSA-N 298.411 3.815 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1cc(F)ccc1F 610342827 PRXJWFKPIHKFRV-JTQLQIEISA-N 290.288 3.826 30 20 CHED COc1ccccc1C(C)(C)CN[C@@H]1CCC[C@H](C#N)C1 618570462 CTCJLKMLDOUZBD-LSDHHAIUSA-N 286.419 3.645 30 20 CHED C=CCCc1noc(C[C@H](C)c2ccc(F)cc2)n1 453246969 MJHDDMMWXNSVNX-NSHDSACASA-N 260.312 3.674 30 20 CHED CCc1nc(C)ccc1OCc1ccc(C#N)cc1C 616043008 KIIHKZYKOPKXSK-UHFFFAOYSA-N 266.344 3.712 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ncc(C(C)C)s1 455269177 QYPZQFYURDPSOH-UHFFFAOYSA-N 267.398 3.600 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 617788975 WDKALETYEZGCTF-AWEZNQCLSA-N 275.367 3.573 30 20 CHED Cc1noc(C)c1-c1ccc(OC[C@@H](C#N)CCC#N)cc1 277616599 BCGXUBDFHWQTIE-CQSZACIVSA-N 295.342 3.781 30 20 CHED N#Cc1c(F)cccc1NCCc1ccc(F)c(F)c1F 543133091 KDWDXVUZGKIGTN-UHFFFAOYSA-N 294.251 3.769 30 20 CHED CC(C)CC[C@@H]1CCCCN1C(=O)NCC(C)(C)CC#N 459262651 VPDVVUKZLXMLRN-HNNXBMFYSA-N 293.455 3.927 30 20 CHED C=C(CC)CNC(=O)[C@H](C)Cc1ccc(Cl)cc1 456813027 OSEBBCRXCLDZOQ-GFCCVEGCSA-N 265.784 3.601 30 20 CHED C=CCCc1noc(CO[C@H]2CCCC[C@H]2CC)n1 453229274 GOQLUAZFRFIPAI-OLZOCXBDSA-N 264.369 3.674 30 20 CHED CO[C@H]1CCC[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 540335213 MJHMOSULFXMKKW-RISCZKNCSA-N 298.308 3.804 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)C2=CCC(C)(C)CC2)C1 455730960 TUKUFLGTNMUSST-GUYCJALGSA-N 274.408 3.712 30 20 CHED CCC(CC)C(=O)Nc1ccc(CC#N)cc1Cl 452643731 KCERFOIQLRAEKL-UHFFFAOYSA-N 264.756 3.781 30 20 CHED C=CCC[C@@H](C(=O)NCc1cnccc1C)c1ccccc1 456197393 UGBQRUWLSRMPNU-GOSISDBHSA-N 294.398 3.756 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 276159992 RJWFMZFSSVJFAD-NSHDSACASA-N 266.772 3.619 30 20 CHED CCn1c(S[C@@H]2CC[C@H](C#N)C2)nnc1-c1ccccc1 278619647 SJKJLBCAXDJAOV-GXTWGEPZSA-N 298.415 3.749 30 20 CHED C#CC[C@H](NC(=O)N(CC(C)C)C1CC1)c1ccccc1 270389284 XIWSJBOBVIEVSR-KRWDZBQOSA-N 284.403 3.581 30 20 CHED C=CCC[C@H](C(=O)NCc1ccnc(C)c1)c1ccccc1 452402127 BYQVBJXXLIJAAQ-SFHVURJKSA-N 294.398 3.756 30 20 CHED C=CCCC(C)(C)NC(=O)CCOc1cccc(C)c1 620863774 BNDAXRDWJDWRNH-UHFFFAOYSA-N 275.392 3.625 30 20 CHED C=CCOCCSCCCCc1ccccc1 549387727 ZAKJGMROGZKSFV-UHFFFAOYSA-N 250.407 3.945 30 20 CHED C=CC[C@@H]1N(Cc2noc(C3CC3)n2)CCCC1(C)C 277874184 UYUDULNCYIXBMS-ZDUSSCGKSA-N 275.396 3.514 30 20 CHED C=CCCOCCCCC(=O)N1C[C@@H](C)CC(C)(C)C1 542439455 YMVFSUQKLBZTFD-HNNXBMFYSA-N 281.440 3.644 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 279995878 CWKKZXJRUVAQSU-RHSMWYFYSA-N 296.414 3.892 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)Nc1nc(C)ccc1C#N 271868674 RQOQHEARKDNKCE-LRDDRELGSA-N 299.349 3.589 30 20 CHED C#CCCCC(=O)N(Cc1cccc(C)c1)Cc1ccco1 277248435 PMVUYWPFTVOCKE-UHFFFAOYSA-N 295.382 3.920 30 20 CHED CCOc1ccc(OC)cc1NCc1ccc(CC#N)cc1 541306872 NLYWTKHGNBSFLJ-UHFFFAOYSA-N 296.370 3.772 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)CCC[C@@H]1C 540489108 OGDXIAVWKKSOHL-ILXRZTDVSA-N 266.429 3.951 30 20 CHED COCCOc1ccc(SCCC(C)(C)C#N)cc1 546020799 ZENMTPYVFBIGAL-UHFFFAOYSA-N 279.405 3.744 30 20 CHED C=CCN(c1nnc([C@@H](C)CC)n1CC(C)C)C1CC1 460847118 ODBNOKGHWWJOMM-ZDUSSCGKSA-N 276.428 3.602 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1c(F)cncc1F 286692623 ZBZJLHWIMDRTOU-LLVKDONJSA-N 284.350 3.898 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)C1CCCCC1 460548998 IHXNDUAJMXFAHI-UHFFFAOYSA-N 276.428 3.747 30 20 CHED N#Cc1cc[nH]c(=NCCCCc2ccc(Cl)s2)c1 557687109 WPIZBBXFUUJYRD-UHFFFAOYSA-N 291.807 3.525 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 464756239 JUGSOLWIXZAZGW-QWRGUYRKSA-N 266.772 3.617 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 465113113 XLEFJICXZZEZTD-JCURWCKSSA-N 265.356 3.634 30 20 CHED CCOc1ccccc1[C@H](CC)NC(=O)[C@@](C)(C#N)CC 288390661 LPXUUNYWUCLKNQ-WMLDXEAASA-N 288.391 3.592 30 20 CHED C=CC[C@H](CC)NC(=O)c1scc(C)c1Cl 281514231 WTOQDRDOMBNDAE-VIFPVBQESA-N 257.786 3.794 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)c1ccc(CC#N)cc1 466994612 IUZITIKGYUCQOZ-UHFFFAOYSA-N 298.773 3.645 30 20 CHED Cc1ccc(-c2csc(CN(C)[C@@H](C)CC#N)n2)cc1 286477055 PQRFWCHKIRZSET-ZDUSSCGKSA-N 285.416 3.853 30 20 CHED Cc1ccc(OC(F)F)c(CN(C)CC(C)(C)C#N)c1 552085648 GMQZQZKZWSJCOL-UHFFFAOYSA-N 282.334 3.578 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H](C)C(C)C 463675871 BQAIAKRTPWUKFU-KGLIPLIRSA-N 272.392 3.555 30 20 CHED C=CCC(CC=C)C(=O)N(CC)c1ccccc1F 467817358 LSYCNXPZHASDQK-UHFFFAOYSA-N 261.340 3.947 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cccc2c1ccn2CC(C)C 557599316 JRXDZONOGMGRBF-SFHVURJKSA-N 297.402 3.719 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cscc1Cl)OCC 636438973 RBBXEEDHZXDUIJ-LLVKDONJSA-N 273.785 3.711 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1c(F)cccc1F 285650215 CEZGLUKWRBEOFD-XPTSAGLGSA-N 267.275 3.509 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(OC)c(OC)c1C 286169609 QGZHOFYPPIRDGC-ZDUSSCGKSA-N 295.448 3.582 30 20 CHED C=CCCC(=O)NCC(C)(C)c1ccc(C)cc1C 553299929 DTFULTVCQFVEGB-UHFFFAOYSA-N 259.393 3.663 30 20 CHED Cc1cccc([C@H](NC(=O)NCC2(C#N)CC2)C(C)(C)C)c1 555708854 UYZQAGKSRBYUKG-HNNXBMFYSA-N 299.418 3.685 30 20 CHED Cc1cccc(OCCN[C@@H]2CCc3ccc(C#N)cc32)c1 554991852 YBYMJHUNSKVNQP-LJQANCHMSA-N 292.382 3.523 30 20 CHED Clc1cscc1C=NNc1nccnc1C1CCC1 807992224 BCGQMRDOWROWPD-UHFFFAOYSA-N 292.795 3.905 30 20 CHED C=C(C)[C@@H](N[C@@H](C)CCC#N)c1ccc(F)c(F)c1 299193941 DGHYPYQTQAWQQJ-XHDPSFHLSA-N 264.319 3.864 30 20 CHED CC#CC(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 803612189 NGNWSPAWXHBVDA-CVEARBPZSA-N 289.806 3.896 30 20 CHED C=CCCCC(=O)N(C)[C@H](C)c1c(F)cccc1F 479523517 QEEBSKYSYVXMBX-LLVKDONJSA-N 267.319 3.841 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H]2CCO[C@H](C(C)C)C2)n1 556362416 NAMBLFCKDDWKBX-KGLIPLIRSA-N 292.423 3.917 30 20 CHED C=C[C@@H](CC(=O)OCC1CCC(=O)CC1)c1ccccc1 803410905 ABKJZRGAHKGJGW-HNNXBMFYSA-N 286.371 3.649 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@H]1Cc1ccc(C)cc1 297600475 HCZGJRLXSPEPGD-INIZCTEOSA-N 271.404 3.741 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCCC#N 292230524 FODGRQPOKKIHAT-CQSZACIVSA-N 272.392 3.553 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccccc1SC 292295088 IPIWEYNMCKFUBX-UHFFFAOYSA-N 277.433 3.969 30 20 CHED CC(C)SCCON=Cc1ccc(Cl)cc1 800868021 QWIAXNPCALZXPF-UHFFFAOYSA-N 257.786 3.832 30 20 CHED C[C@H](C#N)OCCS[C@H](C)c1c(F)cccc1F 801656934 CPZALGPVRSZUPK-NXEZZACHSA-N 271.332 3.688 30 20 CHED COc1ccc(CC[C@H](C)Nc2cc(C)nc(C#N)c2)cc1 561177031 WPMPMLAJTDMLGU-ZDUSSCGKSA-N 295.386 3.704 30 20 CHED C=CCCCCS[C@H](Cc1ccc(Cl)cc1)C(N)=O 568234788 SNLBHDPZEPKJPQ-CQSZACIVSA-N 297.851 3.826 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2cc(C#N)ccc21 297603228 AAKRQXODFMPUDG-UHFFFAOYSA-N 280.371 3.606 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)OCCCC)CCCC1(C)C 470275233 VVMVKVSRYCKAKK-GJZGRUSLSA-N 281.440 3.785 30 20 CHED Cc1ccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)C2CC2)cc1 561954168 JJBCICLZYFTNSW-XYPHTWIQSA-N 254.377 3.728 30 20 CHED CC#CCCNC(=O)c1ccc(OCCCC)cc1Cl 474188348 HBJJAIPILNJTHQ-UHFFFAOYSA-N 293.794 3.662 30 20 CHED C=CC[C@H](C)NCc1cc2cc(Cl)cnc2o1 648454037 MGZRUWCDMKKJHG-VIFPVBQESA-N 250.729 3.535 30 20 CHED CCC[C@@H](Nc1cc(C#N)ncn1)c1ccc(F)cc1F 568830680 VOBXKSPILBWYCC-CQSZACIVSA-N 288.301 3.580 30 20 CHED C[C@@H]1Oc2cc(F)ccc2[C@@H]1Nc1cccc(F)c1C#N 563257125 YXESQAQQFHJTDU-XXFAHNHDSA-N 286.281 3.771 30 20 CHED C[C@H](O)CNN=C1CCCCCCCCCCC1 814961018 WGINHDQGWFRNJN-AWEZNQCLSA-N 254.418 3.618 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cn1 480575975 GCFMTUDRAPPYIO-DZGCQCFKSA-N 281.334 3.841 30 20 CHED CCCCO[C@H]1C[C@@H](NCCCC(C)(C)C#N)C1(C)C 564293370 IJLIAASOWGXFMK-CABCVRRESA-N 280.456 3.890 30 20 CHED Clc1cc(NN=C[C@H]2CCSC2)cc(Cl)n1 819829013 YIJYDYKWBJRQFF-SSDOTTSWSA-N 276.192 3.539 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(CSC(F)F)o2)C1 818230174 NTYSDENRQOANJE-VHSXEESVSA-N 286.347 3.517 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 481658708 MGZZHNIZKHJOFX-NEPJUHHUSA-N 289.354 3.645 30 20 CHED COc1ccccc1CON=CCC(C)(C)SC 814922886 ZKFVYRWEZOCWCN-UHFFFAOYSA-N 267.394 3.729 30 20 CHED C=CCCCCCCCNC(=O)N1CCSC[C@H]1C 811927445 QFHDQBMXRYOKNY-CQSZACIVSA-N 284.469 3.660 30 20 CHED CC[C@H]1CCCN1Cc1ccc(C#N)cc1Br 480780974 PNPXDNVGFBQKNG-ZDUSSCGKSA-N 293.208 3.695 30 20 CHED CO[C@@](C)(C=NNc1cccc(C(F)(F)F)c1)C1CC1 814690107 UHZBFIJSXGTHBV-ZDUSSCGKSA-N 286.297 3.918 30 20 CHED CC(CCCO)=NNc1c(Cl)cc(F)cc1Cl 814890996 KDQRYHNTYLSAII-UHFFFAOYSA-N 279.142 3.693 30 20 CHED N#Cc1ccc(N[C@H](CO)CC2CCC2)cc1C(F)(F)F 480854014 RBXKMAQQSPXILY-ZDUSSCGKSA-N 298.308 3.540 30 20 CHED CC[C@H](c1ccc(F)cc1)[S@](=O)CCC(C)(C)C#N 570103513 PLPGPEPQYBJVGN-AUUYWEPGSA-N 281.396 3.965 30 20 CHED Fc1ccc2c(c1)OCC2=NNc1nc2ccccc2s1 814686633 TYHYFZIVMGYVAN-UHFFFAOYSA-N 299.330 3.644 30 20 CHED N#Cc1ccc(C(=O)N(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)o1 814107453 ILLCWFOKLIURHN-MELADBBJSA-N 298.386 3.582 30 20 CHED C=CCCCCOC(=O)c1cnc2ccc(F)cc2c1 811010451 SMEWXEWCGFHAPV-UHFFFAOYSA-N 273.307 3.887 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1scnc1C1CC1)C2 811694123 NQDZIUBBZLKIDF-QPEQYQDCSA-N 292.363 3.715 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@@H](C)[C@@H]1CC 573021428 XSKWJGGLVTZGQK-HIFRSBDPSA-N 288.439 3.747 30 20 CHED C#C[C@@H](NC(=O)Cc1ccc(C)cc1)c1ccc(Cl)cc1 811947274 ZCBZLWWEPLRUCQ-QGZVFWFLSA-N 297.785 3.682 30 20 CHED C=CCC1(NCC2CCCCCC2)CCOCC1 657632920 CAYJHHIUISBILS-UHFFFAOYSA-N 251.414 3.672 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(F)c(C)c2)c1 728438116 PNEZUSRIGIIRLU-UHFFFAOYSA-N 273.307 3.989 30 20 CHED COc1cccc(C(=O)/C=C/c2cc(F)ccc2OC)c1 812240850 USSPFAHZXSFGEO-SOFGYWHQSA-N 286.302 3.739 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCc3ccc(O)cc32)c1 657690833 BEFGWOYXNVWQCY-LJQANCHMSA-N 295.382 3.734 30 20 CHED C#Cc1cccc(NC(=O)c2cnc(-c3ccco3)s2)c1 728806753 MRNZWNSJSVXYTI-UHFFFAOYSA-N 294.335 3.637 30 20 CHED CCCCCCCOC(=O)c1ccc(NC(=O)O)c(O)c1 829358026 XMXYJAJMJDXBGS-UHFFFAOYSA-N 295.335 3.609 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC1(CCOCC)CC1 657932586 QBORZAWLYZFJLW-JKSUJKDBSA-N 265.441 3.918 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(OC(F)F)cn1 823530353 DSZGTUQHSBRNMX-UHFFFAOYSA-N 299.321 3.549 30 20 CHED CCCC[C@@](C)(F)C(=O)N[C@@H](C)c1ccc(C#N)cc1 821048528 DGUCHOXRGUOXQV-BLLLJJGKSA-N 276.355 3.654 30 20 CHED C=C(C)COC(=O)C[C@H](c1ccccc1)C(F)(F)F 728656107 YHLBGJGEUHOHKK-GFCCVEGCSA-N 272.266 3.842 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(F)cc1O 727778504 KNRGRRKRQRTOTO-LLVKDONJSA-N 272.323 3.606 30 20 CHED COC(=O)Nc1ccc(OCc2ccc(C#N)c(C)c2)cc1 496618174 PBDFYQVBPPWPJM-UHFFFAOYSA-N 296.326 3.624 30 20 CHED CCCCC(C)=NNc1nc(-c2ccccc2)no1 726739655 QNABWFMCNALPAL-UHFFFAOYSA-N 258.325 3.715 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(C)c(C)c1O 728157008 QSMQGBAJBNNTEJ-UHFFFAOYSA-N 289.766 3.894 30 20 CHED C=CC[C@H]1CCCN(CCC(=O)Nc2ccccc2C)C1 661382378 VECNBEXQLAARKP-INIZCTEOSA-N 286.419 3.612 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnn2c1CCC2 822697427 MUUQMADTLNLTKD-UHFFFAOYSA-N 291.439 3.652 30 20 CHED CCOCC(C)=NN=C(c1ccccc1)c1ccccc1 726418145 SQOSNRCFYUZBPV-UHFFFAOYSA-N 280.371 3.936 30 20 CHED C#Cc1cccc(NC(=O)C2(CC=C)CCCC2)c1 824080952 PTVLLILHAFDCCG-UHFFFAOYSA-N 253.345 3.743 30 20 CHED CCC[C@@H](CC)C(=O)N[C@@H](CCC#N)c1ccccc1 821175846 IPAMIJHHYIRARI-ZBFHGGJFSA-N 272.392 3.974 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1ccc(C#N)cc1OC 582151914 WIEFKCRIAUWEEH-LBPRGKRZSA-N 289.379 3.609 30 20 CHED C=CCC1(NCc2cc(Cl)c(C)cc2O)CCOCC1 827146619 HWACVFSGJNPOMU-UHFFFAOYSA-N 295.810 3.569 30 20 CHED CS[C@@H]1CCCC(=NNc2nc3ccccc3[nH]2)C1 901128904 QINZFDKXUJVGEX-LLVKDONJSA-N 274.393 3.636 30 20 CHED Cc1cc(NN=C2CCC[C@H]2CCC(C)C)ncn1 731935919 VRJDWCFLQIJZIW-ZDUSSCGKSA-N 260.385 3.789 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2OC(C)(C)C1 580917419 BFRCXZNISMZIHD-UHFFFAOYSA-N 299.414 3.955 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cnn(C(C)C)c1)C2=O 732713785 HDCIFZUHVGBKDH-CHHVJCJISA-N 266.344 3.595 30 20 CHED CC(C)[C@@H](NCC1(C#N)CC1)c1cc(F)ccc1F 903106604 SGHMMTWLDKTICF-CQSZACIVSA-N 264.319 3.555 30 20 CHED Cc1oc(-c2cccs2)nc1C=NNC1CCCC1 905442915 FOSFFDFVMBQQEK-UHFFFAOYSA-N 275.377 3.578 30 20 CHED CNc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 902601762 RKUSZAQNPXPYJA-LJQANCHMSA-N 291.398 3.767 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2cccc(F)c2)no1 582510906 GDLOWCOILHDRTG-OAHLLOKOSA-N 260.312 3.653 30 20 CHED CCCc1nc(C)c(NC(=O)c2ccsc2C#N)s1 907511196 KHDVVHMGYLHQQW-UHFFFAOYSA-N 291.401 3.590 30 20 CHED CCC[C@@H](C(=O)N(O)Cc1ccc(F)cc1)C(C)C 901372298 BUEILFDNWNMGQQ-CQSZACIVSA-N 267.344 3.616 30 20 CHED Cc1c(C(=O)/C=C\c2cc3ccccc3s2)cnn1C 588397363 WAADIDQCEKBWME-FPLPWBNLSA-N 282.368 3.839 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ncc(F)cc2F)C1 835022439 KCIVQTXREPDLCG-VHSXEESVSA-N 253.296 3.584 30 20 CHED CC(C)COCCC(=O)Nc1cc2ccccc2cc1C#N 839435277 KGPHWHLQOQEKBP-UHFFFAOYSA-N 296.370 3.713 30 20 CHED O=C(CCC1CC1)N(O)Cc1cc(Cl)cc(Cl)c1 901377923 COXTZCPPJZPLKG-UHFFFAOYSA-N 288.174 3.901 30 20 CHED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1cccc(O)c1 737444452 RKRGGICXDPHJSH-AATRIKPKSA-N 298.729 3.589 30 20 CHED N#CC1(CCCCOC(=O)c2cc3cnccc3[nH]2)CCC1 909814873 VROBQVHUYKHNJC-UHFFFAOYSA-N 297.358 3.584 30 20 CHED Cc1cc(NN=C2CCC[C@H]2Cc2ccccc2)nc(C)n1 735613265 XOQKCGQRKQSGLA-INIZCTEOSA-N 294.402 3.904 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)Nc1scc(C)c1C#N 584061545 ODRCFWRNHCMWGN-QWRGUYRKSA-N 277.393 3.723 30 20 CHED C#CCNC(=O)Nc1ccc(Oc2ccccc2)cc1C 731541479 CSUOCPISTCAPAK-UHFFFAOYSA-N 280.327 3.542 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(-c2cncc(F)c2)ccc1C 670067921 KTBSVKMYUGTXKP-LBPRGKRZSA-N 299.349 3.892 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C(=O)O)cc2)s1 832928933 YXSLNNFVBDBHTP-HJWRWDBZSA-N 272.325 3.651 30 20 CHED Fc1ccc(/C=C\C=NNCCCOc2ccccc2)cc1 747751881 SVMGQWOCWNWMBI-DPPVETSHSA-N 298.361 3.883 30 20 CHED Cc1cc(Sc2cccc(F)c2C#N)nc(C2CC2)n1 596307545 ZRSQWZVRENWRPM-UHFFFAOYSA-N 285.347 3.824 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)[C@H]1CCOC1 741961090 ANTHFIPARKPCBE-CABCVRRESA-N 269.429 3.668 30 20 CHED COc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)ccc1C 748679626 ISSQDQKAWZNLPH-CYBMUJFWSA-N 295.338 3.793 30 20 CHED C=CCCSCCN[C@@H](C)c1sccc1OC 595058724 KBEPOVUUKORFRG-NSHDSACASA-N 271.451 3.717 30 20 CHED N#CC[C@@H]1CCCN(Cc2coc(-c3cccs3)n2)C1 595612612 YKPQMDZKANBGIN-LBPRGKRZSA-N 287.388 3.529 30 20 CHED C=CCN(Cc1ccc(OC)cc1)[C@@H]1C=CCCC1 590400942 ZMEBMBIDEJOQHK-MRXNPFEDSA-N 257.377 3.792 30 20 CHED CC(C)(C)[C@H](NC(=O)N1CCC[C@H](C#N)C1)c1ccccc1 914121591 NZELIEUCTJPZLB-GDBMZVCRSA-N 299.418 3.719 30 20 CHED CCC[C@H](C(=O)NCCCC#N)c1ccc(Cl)cc1 597491722 PTKIGYGMBVTGNM-AWEZNQCLSA-N 278.783 3.644 30 20 CHED COc1ccc(C/N=C/c2cc(Cl)ccc2O)cc1F 915111792 OUKYKPSWHOXNAA-GIJQJNRQSA-N 293.725 3.812 30 20 CHED C#C[C@H](OC(=O)C(C)(C)C)c1cccc(C(F)(F)F)c1 842409876 SPRJZKUKLPIERF-LBPRGKRZSA-N 284.277 3.969 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1/N=C/c1ccccc1O 741465626 WOJGXUDKFYFRQH-DSXONILISA-N 251.329 3.541 30 20 CHED COCc1cccc(/C=C2\COc3ccc(F)cc3C2=O)c1 742434604 LMNJYMRFDWKUCG-RIYZIHGNSA-N 298.313 3.631 30 20 CHED C=CC[C@@H](C(=O)O[C@H]1CCC(C)(C)C1=O)c1ccccc1 840475355 WUHLBICSXLHDFI-CABCVRRESA-N 286.371 3.647 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C1CCCCCC1 748921329 CFCHURNQQWNHHS-UHFFFAOYSA-N 271.360 3.880 30 20 CHED C#Cc1cccc(N(CCCCCO)Cc2ccccc2)c1 744395329 VRKBCDDTDYURPU-UHFFFAOYSA-N 293.410 3.837 30 20 CHED C=CCCSCCNC(=O)c1sccc1C1CC1 597972106 JFWFGLYRPAUAKO-UHFFFAOYSA-N 281.446 3.665 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC[C@@H](c2ccncc2)C1 595486650 BOCFVYCHIMUCPZ-MSOLQXFVSA-N 277.371 3.526 30 20 CHED CCc1cccc(CNc2ccccc2O[C@H](C)C#N)c1O 848902117 KUWILDXFNAKADP-CYBMUJFWSA-N 296.370 3.858 30 20 CHED COc1ccc2c(c1)CCCC2=NOCCCSC 742354228 JXJIRDMXJRZYBS-UHFFFAOYSA-N 279.405 3.505 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(COC(C)(C)C)c1C 593505330 MJIXQXDYVVJBND-CYBMUJFWSA-N 288.391 3.798 30 20 CHED CCc1csc(NC(=O)CC2(C#N)CCCCC2)n1 597160266 BTDLCCFPRUAUEZ-UHFFFAOYSA-N 277.393 3.508 30 20 CHED CC[C@@H](Cc1ccc(Br)cc1)NC[C@H](C)C#N 597082265 IATLOUDKZPALIG-RISCZKNCSA-N 295.224 3.519 30 20 CHED CCCCCCCC(=O)Nc1cccc2nccn12 741740247 OQRMYWKEVZFRIP-UHFFFAOYSA-N 259.353 3.633 30 20 CHED COCCOc1cccc(/C=C\C(=O)c2ccc(C)o2)c1 917144069 XZRCGWJAGZJQMJ-FPLPWBNLSA-N 286.327 3.509 30 20 CHED Cc1ccc(C=NNc2oc(C(C)(C)C)nc2C#N)s1 746497654 IWRFRKMPBNZLGC-UHFFFAOYSA-N 288.376 3.660 30 20 CHED COc1ccc([C@H](C)NCc2ccc(C#N)cc2)c(C)c1 840714273 SUWURKJFVAEUQP-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCCC1 591315873 KLMHWWODFUUICL-FZKQIMNGSA-N 296.414 3.878 30 20 CHED CCCCOc1ccc(C(=O)/C=C/c2cc(C)nn2C)cc1 841487490 VUDZWMWUYNGDRW-DHZHZOJOSA-N 298.386 3.804 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(N(C)C)cc1 742375248 BCVBKXYEWCPRIJ-UHFFFAOYSA-N 298.361 3.516 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@H](C)c1ccco1 847671549 OJZJKKKFCZILPE-QWHCGFSZSA-N 283.327 3.634 30 20 CHED CCC#C[C@@H](C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 680380276 RXAPEFZBANVLHE-ZIAGYGMSSA-N 299.393 3.772 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCCOc2c(F)cccc21 926112152 NASMPSSENMXYNB-DOMZBBRYSA-N 290.382 3.957 30 20 CHED C=C[C@@](C)(CC)C(=O)N=c1cc(C)[nH]c2ccccc12 682373120 HUQBTSVKHBVUJS-KRWDZBQOSA-N 268.360 3.506 30 20 CHED CSCC(=NNc1cc(C)ccn1)c1ccccc1 755906770 QLTFBBISSAWHEZ-UHFFFAOYSA-N 271.389 3.569 30 20 CHED C=C[C@@H](CC(=O)Nc1n[nH]c2ccccc12)c1ccccc1 758277096 PRSQNWOHUSQPHT-ZDUSSCGKSA-N 291.354 3.861 30 20 CHED N#Cc1csc(CNc2ccc3c(c2)[C@@H](O)CCCC3)c1 850362343 IMOOGZJBTWJVMX-KRWDZBQOSA-N 298.411 3.992 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC(C)(C)C#N 928386709 TUFBGWRJJUOOJM-HOCLYGCPSA-N 284.403 3.721 30 20 CHED C=CCC[C@H](NCC1CCC(C(C)(C)C)CC1)C(=O)O 756386193 HHARXTFYQKLGFY-NRXISQOPSA-N 281.440 3.848 30 20 CHED COc1cc(C(=O)O[C@H](C)CC(C)(C)C#N)ccc1Cl 851208626 ZYKMCUZIYBHQCD-SNVBAGLBSA-N 295.766 3.834 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)c1ccc(C)s1 920175523 WQUNNLHYWPSGLS-WIWNTQSISA-N 275.373 3.951 30 20 CHED Oc1cccc(/C=N/[C@@H]2CCc3c(Cl)cccc32)c1O 920178161 OPMCFWYWZGGHPB-UHPUNMKFSA-N 287.746 3.858 30 20 CHED CCCCCCCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C 858113468 SJHXTXIVXYDHAB-RYUDHWBXSA-N 294.361 3.939 30 20 CHED COc1ccc(C=NN[C@H](C)c2ccccc2)cc1F 920382150 DKOHATCIMKHKPQ-GFCCVEGCSA-N 272.323 3.519 30 20 CHED Cc1ccc(C=NOCc2ccc(F)cc2F)cc1 753974074 IEHQJWGPOCTDQM-UHFFFAOYSA-N 261.271 3.824 30 20 CHED N#CCCCCOC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 850335380 PNORFXHCMIVTSH-IRXDYDNUSA-N 285.387 3.882 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(F)cc2)C1 855439275 YQMRTVHIIYYWTB-ZBFHGGJFSA-N 289.394 3.819 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](CC)c1ccc(Cl)s1 753265072 QFXVTSKYTDNBGT-ZJUUUORDSA-N 284.812 3.564 30 20 CHED CCCCCCCNC(=O)N1CCC(F)(F)C[C@H]1C 858114937 XSZNFPCKWGXFFP-GFCCVEGCSA-N 276.371 3.786 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCc1ccccc1F 920944083 OVINUCWUBNSHCC-ZDLGFXPLSA-N 277.726 3.846 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1cccc(Cl)c1)C(C)C 755860740 SPBLXFNCTUSONY-CYBMUJFWSA-N 279.811 3.942 30 20 CHED CCOc1cncc(/C=C/C(=O)C2CCCCC2)c1 857201959 ISOSKXAXBJOWNK-CMDGGOBGSA-N 259.349 3.643 30 20 CHED C#CC[C@@H](/N=C/c1cccc(OCC)c1O)c1ccccc1 756847412 RVMXQSQODMCHON-HDAKKWKLSA-N 293.366 3.974 30 20 CHED C=CCc1cc(CN2CCC[C@@H](CC)C2)c(O)c(OC)c1 754726014 KSYOYTPSSAIFJG-CQSZACIVSA-N 289.419 3.751 30 20 CHED Cc1ccc([C@@H](C)/N=C/c2ccccc2O)cc1[N+](=O)[O-] 751890551 NZUNQAPCIBRQGD-YXHQGMJNSA-N 284.315 3.789 30 20 CHED C#Cc1cccnc1N1CCC(c2ccsc2)CC1 853485005 ASXLYGVSQMPNRQ-UHFFFAOYSA-N 268.385 3.508 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccc(C#N)s2)[C@H](C)C1 750714287 VDXYLBUPNFCKNF-CKYFFXLPSA-N 263.362 3.601 30 20 CHED N#C[C@@H]1CC[C@H](N2CC=C(c3c[nH]c4ccccc34)CC2)C1 933818373 IGZRKMZKPYAIHL-ZBFHGGJFSA-N 291.398 3.949 30 20 CHED CCCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)C1CCCCC1 753935202 MFFKFJFEEFYCGC-IYBDPMFKSA-N 290.455 3.583 30 20 CHED C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](C#N)C1 932156754 OZHUDUBDCSHCOA-KBPBESRZSA-N 281.359 3.638 30 20 CHED CC/C(=C\C(=O)O[C@@H](C#N)CC)c1cccc(Cl)c1 753422641 YTQJDMVAPOZDHO-CFRMROPGSA-N 277.751 3.979 30 20 CHED CCO[C@@H]1C[C@@H](NCCCCC2(C#N)CCC2)C12CCC2 930628243 MKAYAMAYWOKAHV-HZPDHXFCSA-N 290.451 3.788 30 20 CHED C#C[C@@H](OC(=O)c1cc(C(C)C)nc2ccccc12)C1CC1 767528025 ZQJAELUHZREIHE-GOSISDBHSA-N 293.366 3.927 30 20 CHED CSc1ccc(/C=C/C(=O)OCC2(CC#N)CC2)s1 860289552 JNDHWENDSCDFKY-DUXPYHPUSA-N 293.413 3.720 30 20 CHED N#Cc1ccc(F)c(COC(=O)C(F)=C2CCCC2)c1 761963265 DEQLYQSKPRLVKP-UHFFFAOYSA-N 277.270 3.538 30 20 CHED CC(C)(O)CNN=C1CCC[C@H](c2ccc(Cl)cc2)C1 863137368 WYDUTEABUABMNQ-ZDUSSCGKSA-N 294.826 3.714 30 20 CHED CON=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 767489633 DLIRKBLJIZNBDG-UHFFFAOYSA-N 288.734 3.573 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)OC3(C#N)CCC3)oc12 762104772 CRRPSWUGPPDTNC-UHFFFAOYSA-N 283.327 3.961 30 20 CHED C#CCCCn1cnc2cc(-c3ccccc3)sc2c1=O 766296751 XCENDMYTMJJVCQ-UHFFFAOYSA-N 294.379 3.538 30 20 CHED COc1csc(C(=O)OCCCCC(C)(C)C#N)c1 768745537 HXFCVGKUTPEDKZ-UHFFFAOYSA-N 281.377 3.634 30 20 CHED COc1cc(OC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)ccc1C#N 767156036 ANPYOTVLQSPNPY-IMRBUKKESA-N 287.359 3.545 30 20 CHED Cc1ccccc1C1CC(=NOCC(F)(F)F)C1 764846864 RVBIOTOBQUVIDW-UHFFFAOYSA-N 257.255 3.807 30 20 CHED N#Cc1c(F)ccc(/C=C\C(=O)c2cncs2)c1Cl 761477734 PDVMUAVYNONGJC-RQOWECAXSA-N 292.722 3.703 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1C#N 768935295 XASKPUPFZQBVRL-ZKIBYTKZSA-N 296.414 3.999 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1N(C)C 765012722 FOEVPXRAOLUOJW-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED N#Cc1cc(Cl)nc(NN=CCCc2ccccc2)c1 768374862 MHNMZCADQWXWBM-UHFFFAOYSA-N 284.750 3.637 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc2ccccc2n1 860197109 PYGIWFJTZJPCJK-UHFFFAOYSA-N 282.343 3.608 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc(C#N)c(C)c1)C2=O 766491797 OYUWTQXWSGKGMB-RQZCQDPDSA-N 273.335 3.998 30 20 CHED Cc1ccccc1C(F)(F)C(=O)NCC(C)(C)CCC#N 1117469732 HEAOWSMKYFWNAN-UHFFFAOYSA-N 294.345 3.533 30 20 CHED O=C(/C=C\c1csc(Cl)c1Cl)c1cnccn1 761477124 LTTBOSUZLLUPMY-UPHRSURJSA-N 285.155 3.741 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 1116256002 SVIZRBIJLHFLQK-NSHDSACASA-N 290.432 3.975 30 20 CHED CC(C)c1nc(C=NNc2nccnc2C(C)C)cs1 1116816397 BTEFYMQEIJOSJY-UHFFFAOYSA-N 289.408 3.626 30 20 CHED CCCC1(C(=O)[C@H](C#N)c2nc3ccccc3o2)CC1 761063900 CISJHPUODUATQK-NSHDSACASA-N 268.316 3.584 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccc(N(C)C)cc1)C1CC1 876570710 MDPQCYZPBWDSSJ-HNNXBMFYSA-N 285.435 3.657 30 20 CHED C=CCCCCNC(=O)/C=C(\C)c1ccccc1OC 770082130 KNFCXXBSVVMKSE-BUHFOSPRSA-N 273.376 3.571 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc2ccccc2n1 777459329 IDXAGUABLWRESC-UHFFFAOYSA-N 282.265 3.928 30 20 CHED C#CCOc1cccc(Oc2nc(C(F)(F)F)cs2)c1 770456268 MIAAQTFNCQJBCD-UHFFFAOYSA-N 299.273 3.966 30 20 CHED CCCCCCCCCCC(=O)N1CCSC[C@@H]1C#N 775497503 JQVHUZSFHALSJV-HNNXBMFYSA-N 296.480 3.985 30 20 CHED CCCCCCCCOCC(=O)N1CC2(CCCC2)C1 779227834 XVAOVIBPRHYIDW-UHFFFAOYSA-N 281.440 3.766 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)N[C@H](C)c1ccc(C#N)cc1 878421622 AQCOPKVYPXCPIT-QWHCGFSZSA-N 285.391 3.592 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc(Cl)cc1 773091127 NRZVMWKANIYLTI-UHFFFAOYSA-N 274.755 3.699 30 20 CHED C[C@@H](CCC#N)CNc1ccc(N2CCCC2)cc1 876820176 LUAHSWGEZFRQOJ-AWEZNQCLSA-N 257.381 3.639 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1ccc(C(C)=O)cc1 776205487 YSENEECLAWDBTK-LBPRGKRZSA-N 290.432 3.920 30 20 CHED COC(=O)c1ccccc1NN=C[C@@H]1CCC[C@H](C)C1 776187487 PXWKJZPEYPPUAT-QWHCGFSZSA-N 274.364 3.697 30 20 CHED C=CCN(CCc1ccco1)Cc1c(O)cccc1Cl 779167515 GVTCZWSPXOEYFR-UHFFFAOYSA-N 291.778 3.869 30 20 CHED C#CC[C@H](N[C@@H](C)C1CCSCC1)c1ccccc1 779037681 DVLPYMMADNGVSB-YOEHRIQHSA-N 273.445 3.872 30 20 CHED C=C1CCC(C(=O)N2CCC(C(F)(F)F)CC2)CC1 889283795 UVAMTJYANBBCSZ-UHFFFAOYSA-N 275.314 3.534 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(O)c(C(C)C)c1 882655209 MCKIBWQHTAFHCR-UHFFFAOYSA-N 259.349 3.504 30 20 CHED Cc1ccncc1/C=C/C(=O)O[C@H](C)c1ccc(C#N)cc1 784060094 SJCQKIYHCUDNNI-HSBSLETESA-N 292.338 3.579 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccnc1Cl 787028162 UQPMSQMNXLGBRE-BZNIZROVSA-N 297.789 3.945 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2C)CCCCC1 788141863 XBYIQOPQQULKJM-HUUCEWRRSA-N 261.409 3.655 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccccc1SC(C)C 781133160 ZHQLPDSGCNXNLU-NSHDSACASA-N 263.362 3.646 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@@H](CF)C1)c1ccccc1 881598085 JWESMFXIGIGRIA-GJZGRUSLSA-N 275.367 3.554 30 20 CHED C#Cc1cccc(N(C(=O)C2CCC(OC)CC2)C(C)C)c1 780694882 KUARATKHJMSXPG-UHFFFAOYSA-N 299.414 3.615 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc([N+](=O)[O-])s2)c1 782222587 BEZXIBUKMJJFQH-UHFFFAOYSA-N 275.333 3.719 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2cncs2)c1 787172927 RVYHZKVAAKBOSL-VOTSOKGWSA-N 271.341 3.604 30 20 CHED CCCCC[S@@](=O)CCCCC1(C#N)CCC1 899286814 QWDBGEPSDCJTPM-QGZVFWFLSA-N 255.427 3.789 30 20 CHED C#CCC1(C(=O)Nc2nc(CC)c(C)s2)CCCCC1 788436286 VKPSELSJYPGPAT-UHFFFAOYSA-N 290.432 3.926 30 20 CHED N#Cc1cnc(N[C@H](c2ccncc2)C2CC2)c(Cl)c1 897422281 GSAJNLYWKYGORJ-AWEZNQCLSA-N 284.750 3.565 30 20 CHED C#CCCCCNC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 787283354 PCBATOVZXLNPNW-SJLPKXTDSA-N 298.430 3.686 30 20 CHED Fc1cccc(C2CC(=NNc3nccnc3Cl)C2)c1 781594733 SCWBLTDDTKFHIE-UHFFFAOYSA-N 290.729 3.615 30 20 CHED COc1cccc2cc(/C=C\C(=O)c3ccnc(F)c3)oc12 794721097 WMTKBAWRFNAMEI-WAYWQWQTSA-N 297.285 3.872 30 20 CHED CC(=NNc1cccc(C)c1)c1cccc(N2CCC2=O)c1 794854019 AADGJQSFKLLIOW-UHFFFAOYSA-N 293.370 3.568 30 20 CHED N#Cc1ccc(SCc2nc(CCCCF)no2)cc1 897211881 LKRRZZJOOARMHV-UHFFFAOYSA-N 291.351 3.526 30 20 CHED C=C1CCC(C(=O)Nc2ncc(F)cc2Cl)CC1 893084909 OGGRORMCFRWMPF-UHFFFAOYSA-N 268.719 3.559 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C/CCC 792529529 CEGQRIOGIWGKBV-KPKJPENVSA-N 257.377 3.948 30 20 CHED O=C(/C=C/c1c(F)ccc(O)c1F)c1cc(F)ccc1F 794937138 FVEFNNYLYIDALO-GORDUTHDSA-N 296.219 3.845 30 20 CHED Clc1cccc(Cl)c1CCC=NN=c1cc[nH]cc1 790174783 WOGGFDVQEIULJN-UHFFFAOYSA-N 294.185 3.841 30 20 CHED Cc1ccc(OC(F)F)c(C=NNc2cccc(F)n2)c1 795006776 KRURMRUCIDJEFY-UHFFFAOYSA-N 295.264 3.577 30 20 CHED CC[C@@H](C)NN=C(C)C[C@H]1CCCN1C(=O)OC(C)(C)C 790191498 ZEWHPBHHJSLAOZ-TZMCWYRMSA-N 297.443 3.540 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccccc1SC(C)C 791741329 KDXCNTWSBDEECS-ZDUSSCGKSA-N 275.417 3.719 30 20 CHED Cc1ccnc(NN=C2CCC[C@H](c3cccnc3)C2)c1 799881027 KRETXJSBVNBTMO-AWEZNQCLSA-N 280.375 3.911 30 20 CHED CCCCCCCN[C@@H](C)c1ncc(C(=O)OC)s1 703712282 BTQUCNXIPGPUAH-NSHDSACASA-N 284.425 3.551 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(F)ccc1F 187510665 JJWVPLRCAHTVRB-UHFFFAOYSA-N 280.318 3.509 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccoc2C(C)C)c1 796649620 IURNDTULLWFLBM-UHFFFAOYSA-N 267.328 3.661 30 20 CHED O=C(/C=C/c1ccsc1Cl)c1cncs1 790219804 NOJWLYUQMHYIHP-OWOJBTEDSA-N 255.751 3.754 30 20 CHED Fc1cccnc1NN=Cc1ccc2ccccc2c1 794984013 JDDBDEDBFHZROA-UHFFFAOYSA-N 265.291 3.820 30 20 CHED C#Cc1cccc(N(C)C(=O)Cc2cccc(C(F)F)c2)c1 790902160 KOLJLUKVWFTULZ-UHFFFAOYSA-N 299.320 3.811 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1ccc2c(c1)CCC2 799619179 BMQNLVPDOHSZLN-LUAWRHEFSA-N 288.350 3.699 30 20 CHED Cn1cc(C=NOCCC(F)(F)F)c2cc(F)ccc21 794859240 NWGBPXZBTAXPBW-UHFFFAOYSA-N 288.244 3.620 30 20 CHED Cc1cc(C)c2cc(C(=O)OCCCCC#N)[nH]c2c1 797636374 PWPIOSMUIFAWNM-UHFFFAOYSA-N 270.332 3.635 30 20 CHED CC[C@@H]1CC[C@H]1Nc1cccc(OCCCC#N)c1 562055272 SFBFWVBCCBKBAK-CZUORRHYSA-N 258.365 3.970 30 20 CHED Cc1ccccc1CSCc1ccc(C#N)cn1 562375794 WRKUAUFRBDOOIR-UHFFFAOYSA-N 254.358 3.695 30 20 CHED CCN(Cc1ccco1)[C@H](C)c1ccc(C#N)cc1 194986376 GLFPZVVCZMWMOZ-CYBMUJFWSA-N 254.333 3.734 30 20 CHED CC(C)[C@@H](CN=c1cc[nH]cc1C#N)c1ccc(Cl)cc1 1307115078 WCHTWLNMFRXAHF-MRXNPFEDSA-N 299.805 3.880 30 20 CHED C=C(Cl)CNCc1c(C)nn(-c2ccccc2C)c1C 1308282428 IXOMQHJRYNMXDN-UHFFFAOYSA-N 289.810 3.640 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H](CC(C)C)C1 1307582038 DYXKRYOQGROGHW-INIZCTEOSA-N 286.419 3.825 30 20 CHED COC(=O)c1ccc(Sc2cc(C)ccc2C)c(C#N)n1 1161941774 PXGUSXXQRADNIX-UHFFFAOYSA-N 298.367 3.508 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)c1cccc(CC#N)n1 1320358963 ASDMOTVTXZLFJP-UHFFFAOYSA-N 289.741 3.577 30 20 CHED C[C@@]1(CNCc2ccc(C#N)cc2)CCCc2ccccc21 1178393137 JBJAIXOKHSMQFW-FQEVSTJZSA-N 290.410 3.942 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2csc(C#N)c2)C1 1324722387 KZFNAEUFFFIVPM-YPMHNXCESA-N 276.405 3.564 30 20 CHED CC(C)C[C@H](C)Cc1nnc(COc2ccccc2C#N)o1 1322089843 ZGOAJNFDOSFMEE-ZDUSSCGKSA-N 299.374 3.745 30 20 CHED C=CCCCCCCNC(=O)N[C@@H]1C=CCCC1 1323182512 JBPYJZGNNJZXTH-CQSZACIVSA-N 250.386 3.531 30 20 CHED C#CCCCCc1nnc(-c2ccc(CC)cc2)o1 1326104179 QOPUFNXUUJZDGW-UHFFFAOYSA-N 254.333 3.645 30 20 CHED C=CCCc1nnc([C@@H](C)Oc2ccc(OCC)cc2)o1 1328092352 RIAOWFBMKFXXIJ-GFCCVEGCSA-N 288.347 3.727 30 20 CHED Cc1cc(CN[C@@H]2C[C@@H](C)C[C@@H](C)C2)ccc1C#N 1655671594 MUZCIUAANTVSOG-LAQFHYBYSA-N 256.393 3.781 30 20 CHED C=C(C)CCC(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O 1335846050 QHTUQNBLGSYYID-HZPDHXFCSA-N 291.435 3.873 30 20 CHED CC(C)CCCCc1nnc(-c2ccc(C#N)cc2)o1 1333121464 KAEBOVFJZRWZAW-UHFFFAOYSA-N 269.348 3.977 30 20 CHED N#CC1(CN2C[C@@H]3CCCC[C@]32c2ccccc2)CC1 1254177658 LRPROPNZBZMBKO-WMZOPIPTSA-N 266.388 3.691 30 20 CHED CCc1ccc(C(=O)N(CC#N)C2CCCC2)cc1CC 1254145682 VDUWMRNIPNUFGS-UHFFFAOYSA-N 284.403 3.720 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(Br)c(O)c1 1333795595 CHKWKZIIGZTFAR-SECBINFHSA-N 298.180 3.696 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1ccc(C#N)cc1F 1265585792 RBJGTKYTNGITRL-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(C)CCC(=O)Nc1ccc2c(cnn2C(C)C)c1 1346835073 ARMUUQYSAHWFGA-UHFFFAOYSA-N 271.364 3.912 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cc3c(s2)CCCCC3)C1 1344605223 OAJATJCDUKUZRP-AAEUAGOBSA-N 289.400 3.866 30 20 CHED Fc1ccc(CNN=Cc2cccc(C(F)(F)F)c2)cc1 1340494333 BAFAPZXQLXIUBS-UHFFFAOYSA-N 296.267 3.968 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(Cl)ncc1C 1340857299 MFPOWQZXVBLFOM-GFCCVEGCSA-N 278.783 3.614 30 20 CHED C[C@H](NCc1cccn1C1CC1)c1cccc(C#N)c1 1353048365 NHYPBZZSNDABII-ZDUSSCGKSA-N 265.360 3.545 30 20 CHED Cc1cc([C@H](C)N[C@@H](C#N)c2ccccc2)c(C)o1 1350372009 WXKFJCJCHNPQQS-LRDDRELGSA-N 254.333 3.812 30 20 CHED Cc1ccc(C(=O)NCC2(CC(C)C)CCC2)cc1C#N 1356266297 PCVHVZCDFLKBJZ-UHFFFAOYSA-N 284.403 3.813 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(C)=O)s1 1514859325 QPOFJFXRFQQUHA-GFCCVEGCSA-N 277.389 3.522 30 20 CHED C=C(C)CCC(=O)N(c1cccc(F)c1)C1CCOCC1 1517450040 XFVMUIPTPQGXLS-UHFFFAOYSA-N 291.366 3.694 30 20 CHED Cc1nc(C#N)cc(NCc2ccc(-c3ccccc3)o2)n1 1458114012 ALQCXQJILODMOR-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CCCOc1ccc(NC(=O)c2csc(C#N)c2)cc1 1458012382 JLFHVVURXISXSL-UHFFFAOYSA-N 286.356 3.661 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1-c1nccs1 1520393263 NUQFWYGYXBBTOJ-UHFFFAOYSA-N 299.399 3.735 30 20 CHED Cc1ccc(F)c(C(=O)Nc2cc(C#N)ccc2F)c1F 1528456540 NCFNFNADKYNPAB-UHFFFAOYSA-N 290.244 3.536 30 20 CHED N#CC1CCC(CNc2ccc(Cl)c(C(=O)O)c2)CC1 1601060123 XGPAEYOGGLHKNW-UHFFFAOYSA-N 292.766 3.780 30 20 CHED Cc1cccc(CC(=O)Nc2cccc(CC#N)c2)c1Cl 1533223088 GEPLRBWGSHSXMG-UHFFFAOYSA-N 298.773 3.896 30 20 CHED N#Cc1ccc(Cl)cc1NCCOC1CCCCC1 111823503 FWZKZGOLHBQGQV-UHFFFAOYSA-N 278.783 3.973 30 20 CHED CC1CC(C#N)(C(=O)NCC[C@H]2C[C@@H](C)CC(C)(C)C2)C1 1626528812 TXGZBMFAFDHVAR-GBRKPNRJSA-N 290.451 3.895 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(Cl)ccc2F)C1 260164511 ROPWFMBZQPMFHI-LLVKDONJSA-N 266.747 3.605 30 20 CHED Cc1ccccc1[C@H](N=c1cc[nH]c(C#N)c1)C(C)(C)C 1639650943 QFTGAPNXBOTFOR-KRWDZBQOSA-N 279.387 3.883 30 20 CHED Cc1cccc2nc(N(CCC#N)CCC(C)C)oc12 1642484079 XRFMIWVWUWQREZ-UHFFFAOYSA-N 271.364 3.902 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CC(C)(C)c3ccccc32)n1 1642420093 MXOPUQWZHVVZIF-HNNXBMFYSA-N 292.386 3.745 30 20 CHED CC(C)CC[C@@H](Nc1cc(C#N)cnn1)C(C)(C)C 1650757064 IWGFCRRTLBTUNM-CYBMUJFWSA-N 260.385 3.611 30 20 CHED COc1cc(CNc2ccc(C(C)C)nc2)ccc1C#N 1657016931 MYKNNFWMYRHSIT-UHFFFAOYSA-N 281.359 3.697 30 20 CHED C=CC[C@@H](C(=O)O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 1588728460 KDEUKLUXARTYCL-HOCLYGCPSA-N 287.403 3.741 30 20 CHED C[C@@H](Nc1cc(C#N)cnn1)c1cccc(C(F)(F)F)c1 1654867027 KRDUGUSRFOCXHC-SECBINFHSA-N 292.264 3.540 30 20 CHED CCN(CCC#N)[C@@H]1C[C@H](C)Sc2sccc21 1658721960 UQAPTKDXUQELOF-CMPLNLGQSA-N 266.435 3.909 30 20 CHED CCCCCCCN[C@@H](C(=O)O)c1ccc(F)c(C)c1 1595704546 TZKJKKZRJSCBRV-OAHLLOKOSA-N 281.371 3.820 30 20 CHED C=CC[C@@H](NCc1ccc(C2CCCCC2)cc1)C(=O)O 1776152497 NPDJWKVWBHSFLL-QGZVFWFLSA-N 287.403 3.853 30 20 CHED C#C[C@H](C)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 123081385 LYUXNWKCSQFVCZ-QMMMGPOBSA-N 295.226 3.836 30 20 CHED C=CCCCCCN1c2ccccc2C[C@@H]1CC(=O)O 1776733285 ICWKQZLTBBXJNA-OAHLLOKOSA-N 273.376 3.639 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC/C=C\c2ccccc2)C1 1776156554 VJWNBSVAZLKTSW-LFIXQJEJSA-N 299.414 3.833 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1683106629 KNJMAHAVYZVFJX-QRIFCXAISA-N 298.430 3.518 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2cc(F)cc(F)c2)cc1 158400418 LBVUXLQEFWDQLJ-NSHDSACASA-N 288.297 3.868 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)c1ccc([N+](=O)[O-])cc1 168239870 FMVAKXUNTYWKKU-JTQLQIEISA-N 285.278 3.779 30 20 CHED CCCCOCCNc1cccc(Br)c1C#N 168520424 ZRVSHRADKMWHMV-UHFFFAOYSA-N 297.196 3.549 30 20 CHED Cc1ccc(C(C)C)c(OC[C@H](C#N)CCC#N)c1 152770426 LXBGRVGFHDBOJQ-AWEZNQCLSA-N 256.349 3.941 30 20 CHED Cc1cccc(C)c1CNC(=O)Nc1ccc(CC#N)cc1 157087665 JDECVPXECLANIR-UHFFFAOYSA-N 293.370 3.691 30 20 CHED CC(C)n1cc(C#N)c(NC(=O)CCCCC(C)(C)C)n1 342505708 BOIOTKGFFWSTPF-UHFFFAOYSA-N 290.411 3.881 30 20 CHED C[C@@H]1C[C@H](Nc2c(Br)cccc2C#N)CS1 1307143103 YKBUUJVDYFJICU-SCZZXKLOSA-N 297.221 3.627 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2cccc(OCC#N)c2)C1 252171733 RHLRYNCKVPPTCX-NHAGDIPZSA-N 258.365 3.826 30 20 CHED Cc1cc(OC[C@H](O)c2ccc(C#N)cc2)ccc1Cl 152869939 QZDTVZMBVBNIPU-INIZCTEOSA-N 287.746 3.633 30 20 CHED CCN(Cc1ccccc1)Cc1cc(C#N)cs1 158695485 QGDFHSRFKVRZDB-UHFFFAOYSA-N 256.374 3.642 30 20 CHED Cc1nc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cs1 36991944 QWRSFGXFAAAMCR-MNOVXSKESA-N 271.389 3.735 30 20 CHED CC[C@](C)(C#N)NC(=O)CCSc1ccc(Cl)cc1 162171029 LCWWVRSWJAHYEN-CQSZACIVSA-N 296.823 3.631 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(C(F)(F)F)c1 44764714 UTXJBTANJVLSEP-UHFFFAOYSA-N 284.281 3.974 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC1CC(F)(F)C1 276978985 FISQXRYURRCUPI-UHFFFAOYSA-N 276.208 3.787 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)[C@@H]1C 404132198 UVKQWLJPXLRYGF-XHBSWPGZSA-N 260.356 3.612 30 20 CHED C[C@@H]1C[C@@H](C)N(c2cc(Br)c(C#N)cc2F)C1 310123679 FFTRXZWOIUSOLX-RKDXNWHRSA-N 297.171 3.695 30 20 CHED N#Cc1ccc(CN2C3CCCC2CCC3)c(F)c1 610370171 YMPWNRVKOZDYKX-UHFFFAOYSA-N 258.340 3.604 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 316234358 PKKOWZYHMUQJDZ-RBSFLKMASA-N 276.424 3.649 30 20 CHED C[C@@H]1N=C(O)CC[C@@H]1/N=C(/O)C(C1CCC1)C1CCC1 329120513 PTXQJJZHYVRCJZ-GWCFXTLKSA-N 278.396 3.667 30 20 CHED N#Cc1ccc(N2CCC(OC3CCC3)CC2)cc1Cl 334939246 FZAHWWFWHUUPJL-UHFFFAOYSA-N 290.794 3.750 30 20 CHED C[C@H](Cc1cccs1)N(C)C(=O)C1(C#N)CCCCC1 93290751 CSPZZBQWERDIMK-CYBMUJFWSA-N 290.432 3.612 30 20 CHED C=CCCCCN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 471584534 HKJIZGRHUDLTHJ-VAMGGRTRSA-N 298.474 3.843 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)s2)n1 385094954 YQRWOGQLSISPEX-GXSJLCMTSA-N 273.361 3.963 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(OC)c(F)c1 393809215 RHCUEJMLUUFMBN-WCQYABFASA-N 251.345 3.840 30 20 CHED C#CCN(Cc1ccccc1)Cc1sccc1C 809715899 HRLMKWDDDBTQLV-UHFFFAOYSA-N 255.386 3.692 30 20 CHED CC[C@H](CN[C@@H](C)CC(C)(C)C#N)CC(F)(F)F 829178944 JNHBGRXDQGCWSI-QWRGUYRKSA-N 264.335 3.883 30 20 CHED CCCN(CC#N)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 108785125 TUBUEIUAWQEGKQ-ZWKOTPCHSA-N 292.382 3.705 30 20 CHED Cc1ccc(C)c(C[S@@](=O)Cc2cccc(C#N)c2)c1 108142837 RHFYBMGGZPUCFZ-HXUWFJFHSA-N 283.396 3.624 30 20 CHED C=C(C)CNC(=S)N(Cc1ccccc1)[C@@H](C)C1CC1 57435216 KNLRJEWWQYFHAQ-AWEZNQCLSA-N 288.460 3.738 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173380341 HJQSGZQVYHVZPP-JHJVBQTASA-N 297.185 3.515 30 20 CHED CCN(C(=O)Nc1cccnc1)[C@@H](C)c1ccc(C#N)cc1 53734006 MSOZJMZKAADTGE-ZDUSSCGKSA-N 294.358 3.568 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2ccc(C#N)cc2)C1 173639065 YWCQVGKDJARGOQ-KRWDZBQOSA-N 270.376 3.601 30 20 CHED CC(C)[C@H](CC(=O)N(CCC#N)CC1CC1)c1ccccc1 103437424 DXYFMEBEEBIWQC-SFHVURJKSA-N 298.430 3.969 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC2CCOCC2)cc1 119064061 XSNYDOOIUTWZHE-ZDUSSCGKSA-N 295.810 3.648 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cc(Cl)ccc2Cl)C1 179863692 ZYRYIRJNIHKGGX-WPRPVWTQSA-N 284.142 3.842 30 20 CHED Cc1cc(C)cc(N/C(N)=N/CCc2ccc(F)cc2C)c1 304952121 SXDHLRDEZMUHLJ-UHFFFAOYSA-N 299.393 3.720 30 20 CHED C=CCCC[C@H](C)NCc1ccc(-c2cnn(C)c2)cc1 1344404724 DDPRCVGBHBFDBD-HNNXBMFYSA-N 283.419 3.922 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C 301425746 GOHBJTBNRFMQJD-AOOOYVTPSA-N 268.282 3.669 30 20 CHED C=C(C)CN(C)c1nc(-c2cccnc2)nc2ccccc12 302056329 QPZYBNTURUNTEP-UHFFFAOYSA-N 290.370 3.704 30 20 CHED C=CCN(Cc1ccno1)Cc1ccc(Cl)s1 66560595 YOVFNYWGALVXEY-UHFFFAOYSA-N 268.769 3.578 30 20 CHED C[C@@H]1CCCC[C@H]1Nc1c(F)cc(C#N)cc1F 60196988 MYPVPCNTFHFSJE-NOZJJQNGSA-N 250.292 3.827 30 20 CHED C[C@H](c1ccccc1)[S@@](=O)Cc1ccc(C#N)cc1 125369527 PDFVPWBYUAAKHX-BFUOFWGJSA-N 269.369 3.568 30 20 CHED C#C[C@H](C)OC(=O)c1ccc(-c2nc3ccccc3s2)o1 174465928 WLAQJATXPFJMDU-JTQLQIEISA-N 297.335 3.735 30 20 CHED CC(C)[C@H]1OCCC[C@@H]1CNc1ccc(F)cc1C#N 301600798 VDTPIOHMSCTVCG-MLGOLLRUSA-N 276.355 3.560 30 20 CHED CCSCc1cccc(Nc2cccc(C#N)n2)c1 301852853 QAEPDCVMAINQMI-UHFFFAOYSA-N 269.373 3.950 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccc2cc(C#N)ccc2n1 301820094 LGFHKOHFUSDAPP-UHFFFAOYSA-N 298.349 3.615 30 20 CHED Cc1cc(C)cc([C@H](C)Nc2cccc(C#N)n2)c1 301285242 QHMFNGRMSQFITA-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED COc1c(Cl)cc(Cl)cc1CN1CCC(C#N)CC1 123731522 LHURVPVMIJBBRL-UHFFFAOYSA-N 299.201 3.738 30 20 CHED CCCn1c(C)nnc1S[C@@H](C)c1cccc(C#N)c1 189874665 AKJFDENUGANECA-NSHDSACASA-N 286.404 3.722 30 20 CHED Cc1ccsc1CN[C@@H](C)c1ccc(C#N)cc1 35256375 RRPOJCPDOYYMLI-LBPRGKRZSA-N 256.374 3.779 30 20 CHED CCCC(C#N)(CCC)NC(=O)CO[C@H]1CCCC[C@@H]1C 121722842 BQEGYVIBXRMTMS-GJZGRUSLSA-N 294.439 3.560 30 20 CHED CCOCc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 185745376 NAFKHZSWWJQORF-DZGCQCFKSA-N 258.365 3.717 30 20 CHED COCc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 37762843 BRMWXKXLTDUFIJ-AWEZNQCLSA-N 280.371 3.555 30 20 CHED C=C[C@H](CC(=O)OCCCOC(C)C)c1ccccc1 122420958 ZXTAKUAUNUPKLD-OAHLLOKOSA-N 276.376 3.705 30 20 CHED C=C(C)CN1CCCCC[C@H]1C[C@H](O)c1ccco1 121866493 JBZTZQJKNZXDRK-GJZGRUSLSA-N 263.381 3.524 30 20 CHED C=C(C)CCSCCOCC(F)(F)C(F)(F)F 507081536 KQCHRIJFIJSWCM-UHFFFAOYSA-N 278.286 3.900 30 20 CHED CCc1ccccc1CSc1nnc(C)c(C)c1C#N 188178824 DNCDVDNCMUTROU-UHFFFAOYSA-N 283.400 3.820 30 20 CHED CC[C@H](C#N)Nc1cc(Br)ccc1OC(C)C 122263921 BGTRXTQGGWBHBU-LLVKDONJSA-N 297.196 3.950 30 20 CHED C=CCC[C@H](C(=O)N(C)c1nccs1)c1ccccc1 186636542 OEJHPFGDSFDFFK-AWEZNQCLSA-N 286.400 3.856 30 20 CHED C=C1CCN(C(=O)C[C@H](CC)c2ccc(OC)cc2)CC1 503029267 DLQHZODVZAKLKK-HNNXBMFYSA-N 287.403 3.758 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)ccc1OC(F)F 180400492 HHRDNRPUBWDAFF-UHFFFAOYSA-N 289.709 3.590 30 20 CHED CC(C)(C#N)COC(=O)c1ccc(Oc2cccnc2)cc1 180105519 WJAXIAXDYJRTES-UHFFFAOYSA-N 296.326 3.580 30 20 CHED CN(c1ncc(C#N)cc1Cl)[C@H]1CCc2ccccc21 358873621 KKGPZRZDDIAYHQ-HNNXBMFYSA-N 283.762 3.730 30 20 CHED CCN(CC)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 185786266 TUFUFLGDXPYIDJ-DLBZAZTESA-N 285.435 3.705 30 20 CHED CCCNCc1cccc(OCc2ccccc2C#N)c1 37704067 DWDGJHKKVUKUIO-UHFFFAOYSA-N 280.371 3.637 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OCCC)cc1 181940057 RILKIJVOAYRECH-UHFFFAOYSA-N 262.353 3.515 30 20 CHED N#CCSCCCN1CCC[C@H]1CCc1ccccc1 74981925 AZJBMXYYNVOYNU-KRWDZBQOSA-N 288.460 3.730 30 20 CHED CCSc1cccc(CNc2cnccc2C#N)c1 488671027 GUUPZYMYNDDXOM-UHFFFAOYSA-N 269.373 3.677 30 20 CHED C=C(C)CCN(C)Cc1cc(Br)ccc1OC 509032876 OIMDDHAFJMJCGC-UHFFFAOYSA-N 298.224 3.856 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)Nc2ccc(O)cc2)cc1 186547166 SULCVPALVHQRTP-UHFFFAOYSA-N 295.342 3.837 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(N(C)C)cc1 315420741 ILBSOVZIRJQTIH-AWEZNQCLSA-N 295.386 3.828 30 20 CHED CCC[C@H](CC(C)C)C(=O)N[C@@](C)(C#N)C(C)(C)C 410670801 FQXJWKUIIPAHQD-CJNGLKHVSA-N 266.429 3.893 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)Cc1ccccc1C 125032252 PTJNJECVICNNTL-HNNXBMFYSA-N 271.404 3.811 30 20 CHED CCO[C@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)C12CCC2 181813845 VGJABTDXLCRMGD-JQFCIGGWSA-N 284.403 3.557 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1cc(C)oc1C 44729545 ZVILHMVOSYAZLJ-AWEZNQCLSA-N 283.371 3.759 30 20 CHED C=CCCCN(CC)CC(=O)Nc1c(C)cccc1C 130136268 YZWMFVRNMXOADA-UHFFFAOYSA-N 274.408 3.530 30 20 CHED C=CCCCC(=O)N1CCC[C@]1(C)Cc1ccccc1 184026530 RNTHNPNECUSYNM-GOSISDBHSA-N 271.404 3.967 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc(Cl)s1 44469901 GUWKCZZRXSXXEK-UHFFFAOYSA-N 269.797 3.535 30 20 CHED CO[C@@]1(C)CCCN(c2ccc(C#N)c(Cl)c2)CC1 280299372 RJASXJPYSHGXNN-HNNXBMFYSA-N 278.783 3.607 30 20 CHED CCCNc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 193360856 MWQQFQXLEIHPIO-NVXWUHKLSA-N 271.408 3.680 30 20 CHED C=C(C)CN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 130818444 PAGXTRKCBMOSCT-CQSZACIVSA-N 269.392 3.627 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)c1c(F)cccc1Cl 81381488 LVZIHHCEDOKEEW-GHMZBOCLSA-N 299.773 3.638 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)C2CCCCC2)cc1C 46929739 WZGYRXBJTMVZEI-UHFFFAOYSA-N 295.404 3.529 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CCC1 190424248 BNXRANMJYCZLDB-GJZGRUSLSA-N 273.351 3.544 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2c([nH]c3ccccc23)C1 135152472 FMEYGKPJUWSXMB-GOSISDBHSA-N 282.387 3.655 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)C1CCCCCC1 1536738756 HBXVGFOPDPLGSL-ZDUSSCGKSA-N 264.413 3.791 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)CCc1ccccc1C 424856010 UWBZAAVATIPNHG-UHFFFAOYSA-N 259.393 3.598 30 20 CHED C=CCCC1(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 425636965 KYEBKXZCRSQCLW-CQSZACIVSA-N 282.387 3.824 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)Cc1ccccc1C 193388425 FVHRFOAGQDUCKE-OAHLLOKOSA-N 274.408 3.534 30 20 CHED C(#Cc1ccccc1)CN1CCC(OCC2CCCC2)CC1 192064451 HKYRYPRQMPDRBK-UHFFFAOYSA-N 297.442 3.709 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@@H](C3CCCC3)C2)c1 420620457 QGVJJARDFYXXAM-QGZVFWFLSA-N 282.387 3.777 30 20 CHED CCCCCCCCn1cc(CCO)c(C(F)(F)F)n1 190124496 AFTGWIUIPYYYSO-UHFFFAOYSA-N 292.345 3.797 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)C1CCCCC1 426016411 ILXBIGFNHZWUIE-UKRRQHHQSA-N 264.413 3.705 30 20 CHED C=CCC1(C(=O)NC2CCC(N(C)C)CC2)CCCCC1 421680646 SXWGHWOHCNHNSN-UHFFFAOYSA-N 292.467 3.502 30 20 CHED C=CCOc1ccc(OC(=O)c2coc(C3CCC3)n2)cc1 194522482 TXALLYYAXCEFHJ-UHFFFAOYSA-N 299.326 3.726 30 20 CHED C=CCn1c(S[C@H](C)CCOC)nc2ccccc21 88484923 WYSRTRWHQZXMRF-GFCCVEGCSA-N 276.405 3.739 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(O)=Nc1cc(F)cc([N+](=O)[O-])c1 331000682 VURBSIQTQYJANJ-SKDRFNHKSA-N 295.314 3.542 30 20 CHED Cc1ccccc1CNCc1cccc(OCCCC#N)c1 237742564 BBCLRBFOBAIPLM-UHFFFAOYSA-N 294.398 3.967 30 20 CHED CCCC(=CC(=O)NCc1cccc(C#N)c1)CCC 92265516 CEONOKHPGODFST-UHFFFAOYSA-N 270.376 3.701 30 20 CHED C=CCCN(C)C(=O)[C@@H](CC)Cc1ccccc1C 424799414 VDKPUVOSYKSGBR-HNNXBMFYSA-N 259.393 3.598 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CCC(F)(F)C1 336283479 TUUSLGSUGKJAEY-SNVBAGLBSA-N 298.720 3.780 30 20 CHED Cc1cc(C(=O)Nc2ccccc2CC#N)cc(C)c1F 335777549 NBKURYZWGHOISG-UHFFFAOYSA-N 282.318 3.761 30 20 CHED COc1c(C)ccc(NC(=O)c2cccc(C#N)c2C)c1C 510472512 GSBGXYOUJGETJK-UHFFFAOYSA-N 294.354 3.744 30 20 CHED C=CCCN(C)C(=O)c1ccccc1Oc1ccncc1 337976847 BOECRBJXNHTFDC-UHFFFAOYSA-N 282.343 3.522 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)NCCCCC#N 91319675 QLPPVNILPMNQQR-LBPRGKRZSA-N 250.773 3.554 30 20 CHED C=CCCC/N=C(/O)c1coc(C2CCCCC2)n1 330444299 WSHLYAITNQRGDJ-UHFFFAOYSA-N 262.353 3.993 30 20 CHED C=C1CCN(C(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 519419642 DVSTYQXYLXDAHI-LBPRGKRZSA-N 295.835 3.999 30 20 CHED N#CCSCCCN1CCC(Cc2ccccc2)CC1 266722380 JRKPWNILVMBKGV-UHFFFAOYSA-N 288.460 3.588 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)CCC(C)(C)C 437497732 OZTCDCLFQKPEOK-KFWWJZLASA-N 281.440 3.546 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)OC(C)C 525325685 ZYPRPUXBARDFHZ-UHFFFAOYSA-N 288.265 3.835 30 20 CHED Cc1cccc(C2=CCN(c3ccc(C#N)cn3)CC2)c1 92696478 XNMBXPHRFLLNSJ-UHFFFAOYSA-N 275.355 3.555 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)NCC(C)(C)CCC#N 345896756 BNOAGBYPUSCWIS-HNNXBMFYSA-N 286.419 3.935 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](CC)O1 347863809 ACRWZZARMJHMQO-IAGOWNOFSA-N 287.403 3.549 30 20 CHED Cc1cccc(-c2nsc(SCCC#N)n2)c1 601173640 FUXHUURCHUHSEE-UHFFFAOYSA-N 261.375 3.519 30 20 CHED CC(C)(CNCc1cccc(C#N)n1)c1ccccc1Cl 602528173 BRAJZKQWBMKPLI-UHFFFAOYSA-N 299.805 3.674 30 20 CHED Cc1ccc(-n2ccnc2SCC2(C#N)CC2)cc1C 347020053 ITXNODYUOOFCSZ-UHFFFAOYSA-N 283.400 3.885 30 20 CHED C=CC[C@@H]1N(C(=O)NC(C)(C)C)CCCC1(C)C 435683072 OEJYVPZIFJSCRR-LBPRGKRZSA-N 252.402 3.561 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 528828124 UHBYVXZQLZLYOC-UHFFFAOYSA-N 286.375 3.669 30 20 CHED N#CCCCN[C@H]1CCCc2c(Br)cccc21 346811008 SYMLGVRCDZGCLQ-AWEZNQCLSA-N 293.208 3.720 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)C(C)(C)c1ccccc1 602534341 SZCAPEKSTJISSG-GJZGRUSLSA-N 258.409 3.882 30 20 CHED CC1(C)CC(NC(=O)NCC2(CC#N)CC2)CC(C)(C)C1 430891785 XEABOGGKJBFTQD-UHFFFAOYSA-N 291.439 3.584 30 20 CHED Cc1cc(/C=C\C(=O)c2ccsc2)ccc1-n1cncn1 255006785 AWXXRCZFDFGVJI-HYXAFXHYSA-N 295.367 3.533 30 20 CHED C[C@H]1CCC[C@@H](C)N(Cc2ccc(F)cc2C#N)C1 525124779 JRJSVFATDATWJU-QWHCGFSZSA-N 260.356 3.708 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)C(C)(C)c1ccccc1 436305069 HMOOYJZUGXLKLC-JZXOWHBKSA-N 287.447 3.924 30 20 CHED C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)CS1 602579556 AIQUDEJSIZVXOL-VHDGCEQUSA-N 260.406 3.515 30 20 CHED C=CCC[C@@H](O)CN[C@H](CC(C)C)c1ccccc1 341052994 FXQKCTXOPRJZTG-IAGOWNOFSA-N 261.409 3.691 30 20 CHED Cc1c(NCc2ccc(C#N)cc2)cnn1CCC(C)C 341261875 DSVODFFTPINUDP-UHFFFAOYSA-N 282.391 3.721 30 20 CHED C=CCCCCCN(C)C(=O)NCCc1ccccc1F 523567328 XHTCOTMBBWMGQC-UHFFFAOYSA-N 292.398 3.756 30 20 CHED CC1(C)CN(Cc2nc(C#N)cs2)C[C@@H]1c1ccccc1 356117942 WXLJHNFEFMHWLX-OAHLLOKOSA-N 297.427 3.640 30 20 CHED C=CCC[C@H](N[C@H]1CCOc2c(F)cccc21)C1CC1 443215962 AWYHOWBORUXIBJ-HOTGVXAUSA-N 275.367 3.984 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(C(C)(C)C(N)=O)cc1 449053796 CIZUBYFZUDGLDD-CQSZACIVSA-N 288.435 3.996 30 20 CHED CC(C)[C@H](N[C@H]1CCC[C@H](C#N)C1)c1nc2ccccc2[nH]1 446822258 VOZBNDDBULOZJD-ZQIUZPCESA-N 296.418 3.932 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1C[C@@]1(C)C(C)C 356466563 XUBCIQUGROBYNC-WBVHZDCISA-N 278.440 3.847 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N(C)[C@H](C)CC#N)c1 352576512 JBOXDTMDWKWGPL-CABCVRRESA-N 286.419 3.749 30 20 CHED CSc1ccccc1CN(CCC#N)Cc1ccccn1 358055031 YGAULXOCJLAIIU-UHFFFAOYSA-N 297.427 3.719 30 20 CHED CCN(Cc1cccc(C#N)n1)[C@H](C)c1ccc(F)cc1 602451273 FJWZRZFFKJHVRP-CYBMUJFWSA-N 283.350 3.675 30 20 CHED C[C@H](C(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)s1 353186202 QJUUWKGSKGJAEQ-VIFPVBQESA-N 284.812 3.513 30 20 CHED Cc1cc(C)cc(C(=O)NCc2ccc(C#N)c(Cl)c2)c1 619765798 SJYGOPXQVBSXMI-UHFFFAOYSA-N 298.773 3.759 30 20 CHED C[C@@H]1CCCN(c2c(C#N)cnc3c(F)cc(F)cc23)C1 352300712 FKJLWVNDXGYKBH-SNVBAGLBSA-N 287.313 3.621 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCc3cc(F)ccc32)CC1 355039022 OGLGPMSPHFOKQI-HNNXBMFYSA-N 273.351 3.676 30 20 CHED C[C@@H]1CC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 353594099 FVMSSDMIKDKVFY-IFIJOSMWSA-N 254.377 3.571 30 20 CHED C=C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 264171631 LYJPXIPVSGZJDO-UHFFFAOYSA-N 270.159 3.786 30 20 CHED CC(C)[C@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)CS1 617099846 DHGMGIMQDZPQEJ-APHBMKBZSA-N 274.433 3.739 30 20 CHED C=C1CCN(CCC(=O)Nc2cccc3ccccc23)CC1 532959747 NBXGGQQSXVWLEP-UHFFFAOYSA-N 294.398 3.820 30 20 CHED CCc1ccc(C(C)(C)C(=O)N2CCC[C@@](C)(C#N)C2)cc1 612366142 ORRCBBAQNKKKEE-IBGZPJMESA-N 298.430 3.679 30 20 CHED CC[C@H](NC[C@H](C)N1CCC(C)CC1)c1ccc(C#N)cc1 447543961 UKHDWRRLBQMSCK-LPHOPBHVSA-N 299.462 3.719 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@@H]1c1ccc(Cl)c(F)c1 357680692 MZRIFJJKNRCMDN-YGRLFVJLSA-N 287.725 3.714 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc2cccnc12 264353224 ZYDVWJPCNZMSPG-UHFFFAOYSA-N 295.386 3.637 30 20 CHED CC(C)CN(Cc1ccc(O)cc1)Cc1ccc(C#N)cc1 615504314 ZTBKDIJIXJFMBE-UHFFFAOYSA-N 294.398 3.922 30 20 CHED CCC1(CC)CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 454219993 ATOLJLZWZXUETP-UHFFFAOYSA-N 291.782 3.866 30 20 CHED C[C@H](CC#N)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 264011540 BEEWMKRMYYSMGT-OAHLLOKOSA-N 292.382 3.657 30 20 CHED COc1ccc(C#N)cc1NC(=O)N(C1CCCC1)C1CC1 531314509 YVSNKUCUJRODJI-UHFFFAOYSA-N 299.374 3.506 30 20 CHED C=CCCc1noc(CCc2c[nH]c3c(C)cccc23)n1 453230759 HPOXYKKHSYIQRP-UHFFFAOYSA-N 281.359 3.763 30 20 CHED CCc1ccccc1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618783676 IWPBUKKWFICNDB-SFHVURJKSA-N 290.366 3.538 30 20 CHED C=C(C)CN(CC)C(=O)NC1CCC(CSC)CC1 458931487 NQLAIGTYSLODCZ-UHFFFAOYSA-N 284.469 3.516 30 20 CHED C=CCCCN(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 455702527 RRPWHISWIAZBAV-UHFFFAOYSA-N 284.403 3.552 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc3cc(F)ccc3o2)C1 612405654 CBUVKPRYLWJWDZ-MRXNPFEDSA-N 272.323 3.698 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)C1CC(C)(C)C1 459729974 JPQGOSDJNHDCGN-UHFFFAOYSA-N 286.419 3.990 30 20 CHED C=CCCC[C@H](C)NC1CCC2(CCCO2)CC1 364947963 IEIDORJPPGJTRT-FHERZECASA-N 251.414 3.813 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)c3ccccc32)C1 617779275 YCFPPINTBDFKIT-PBHICJAKSA-N 297.398 3.561 30 20 CHED C=CCC1(C(=O)NCc2ccc3occc3c2)CCC1 617624957 YATPBZBBLGSWAN-UHFFFAOYSA-N 269.344 3.795 30 20 CHED C=CCC1(NC(=O)NCc2ccsc2)CCCCC1 457663216 HKTLAZGUEGKGMO-UHFFFAOYSA-N 278.421 3.826 30 20 CHED CC(C)(CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1 274386563 ZPCQZVWNYVCKNT-SFHVURJKSA-N 286.419 3.799 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)NCC(C)(C)CCC#N 458754583 BNACZWDLPPQLTL-KRWDZBQOSA-N 293.455 3.927 30 20 CHED CCC[C@H](CCc1ccccc1)NC(=O)CC(C)(C)C#N 278420904 XMTUIPJESPRBPR-MRXNPFEDSA-N 286.419 3.844 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 278615725 FXAFHSMSOVEOBD-KMFMINBZSA-N 254.377 3.654 30 20 CHED N#CCCN(CCC#N)CCCc1c(F)cccc1Cl 278462754 FLRCRHZXVXQASB-UHFFFAOYSA-N 293.773 3.541 30 20 CHED CCCCCCCC(=O)Nc1cc([C@@H]2CCCO2)nn1C 279318393 OHZUYAFAYRYEMN-AWEZNQCLSA-N 293.411 3.571 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cc(C)cc(F)c2)no1 273769172 UGCZPHBKYMNWRK-NSHDSACASA-N 276.311 3.838 30 20 CHED CC[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)C(C)C 455710039 WMFPPQVXZROSDK-ZDUSSCGKSA-N 293.798 3.962 30 20 CHED N#Cc1nn(CCOc2ccc(Cl)cc2)c2ccccc12 544210209 WCDVRWVVXIAARR-UHFFFAOYSA-N 297.745 3.640 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(Cl)o2)no1 277992457 VLCAZIJONWCNID-QMMMGPOBSA-N 268.700 3.637 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1cccc(C)c1 455514970 AVQCRLWVMVCLEZ-INIZCTEOSA-N 272.392 3.808 30 20 CHED C=CCCN(C)C(=O)c1ccccc1CCC(F)(F)F 276400077 OCIOHJWSIVAJAB-UHFFFAOYSA-N 285.309 3.830 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H](C)C3(CCC3)C2)c1C#N 543136055 ILUYUZBODNYAQP-NSHDSACASA-N 289.810 3.932 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCc2c(C)cccc21 546656995 GTUVKMMICOISSW-CZUORRHYSA-N 272.392 3.636 30 20 CHED C=CC[C@H](C)NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 467999233 YKPIFYNHLJBRRO-WDEREUQCSA-N 294.345 3.558 30 20 CHED C=CCN(CCCC1CCOCC1)Cc1cccc(C#N)c1 463296856 XGRFHXOGDXBVFB-UHFFFAOYSA-N 298.430 3.753 30 20 CHED C=CC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)C1 628484364 LEJORHMMMQBBLN-SNPRPXQTSA-N 289.806 3.868 30 20 CHED CN1CCC(=O)C[C@@H]1c1ccc(-c2ccc(C#N)s2)cc1 629711295 BOUDEDAPPXBYRE-MRXNPFEDSA-N 296.395 3.623 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 465260095 FTSAMBUMZFKCND-LLVKDONJSA-N 292.354 3.843 30 20 CHED CC(C)c1ccoc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 283806295 ALWADIQIKORXQU-ZDUSSCGKSA-N 274.364 3.557 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1oc2ccccc2c1C 464749699 FCHAIONVHXFIHK-ZYHUDNBSSA-N 272.348 3.676 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2C[C@@H]2C2CC2)cc1 555980749 PWFXRPPNGKUUMP-IXDOHACOSA-N 296.414 3.711 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC)c(OCCC)c1 466384196 RFBRZDWXSQGZPY-OAHLLOKOSA-N 277.408 3.928 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2cc(C#N)ccn2)cc1 553070196 JFAYGQZXPXCHPF-UHFFFAOYSA-N 279.387 3.676 30 20 CHED Cc1cc(C#N)cnc1-c1nc(-c2occc2C(C)C)no1 551466340 YBQAKSHEYYPOID-UHFFFAOYSA-N 294.314 3.695 30 20 CHED CC#CCCCC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 466642208 PHAXLIBTXLDEIL-SCLBCKFNSA-N 287.378 3.759 30 20 CHED Cc1cc(C)c(CCNc2cc(C#N)ccn2)c(C)c1 553298129 ZNHPEYJGJPYSRY-UHFFFAOYSA-N 265.360 3.533 30 20 CHED C[C@H]1CCC[C@H](c2noc(Cc3c(F)cccc3C#N)n2)C1 558311369 RXGRAQNJKPASKC-RYUDHWBXSA-N 299.349 3.965 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(F)c(C#N)c1 468268978 VBEHVUPOYIGRKA-UHFFFAOYSA-N 282.362 3.762 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC=C(C)C 472171397 CQQZHTLIHPYWNP-UHFFFAOYSA-N 272.392 3.741 30 20 CHED Cl/C=C\CON=Cc1sccc1Br 388248040 UOLYRERPJRAXHM-QBIKGENYSA-N 280.574 3.614 30 20 CHED CCCN(C(=O)CSCC#N)[C@H](CC)c1ccccc1 298497837 KPMQOZZOOFMMQM-OAHLLOKOSA-N 290.432 3.633 30 20 CHED FC(F)(F)c1ccc(C=NOC2CCCCC2)[nH]1 807983458 MSXQRVZEZFROQY-UHFFFAOYSA-N 260.259 3.717 30 20 CHED C#C[C@H](NC1CCN([C@H]2CCC[C@H](C)C2)CC1)C(C)(C)C 809781523 UJKITHYPYQUKHS-SZMVWBNQSA-N 290.495 3.667 30 20 CHED Cc1cccc([C@@H](C)C(=O)N2CCc3ccc(C#N)cc32)c1 555770613 QFKGWCJVCPOFDT-CQSZACIVSA-N 290.366 3.560 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCC1(C)CC1 472234838 TVKBGMVPHTXPCC-UHFFFAOYSA-N 272.392 3.574 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 806263458 MJAOZCMJFIJUJY-LLVKDONJSA-N 299.374 3.560 30 20 CHED C=CCCCCCCNC(=O)N[C@H]1CCOC2(CCC2)C1 806003856 IKIMAATVLUIKRV-HNNXBMFYSA-N 294.439 3.524 30 20 CHED C=CCCc1noc([C@H]2C[C@@H]2c2ccc(F)cc2)n1 297482188 ZIQMNSOVIGKVSE-OLZOCXBDSA-N 258.296 3.598 30 20 CHED CC1(C)CN(Cc2ccc(OCC#N)cc2)[C@H]2CCC[C@H]21 293030049 LEYBZOPTVPXAFR-SJORKVTESA-N 284.403 3.599 30 20 CHED C(=NNc1nccnc1C1CCC1)c1cc2ccccc2o1 807991724 QOVMNWPYSQFKCC-UHFFFAOYSA-N 292.342 3.936 30 20 CHED COc1cc(F)cc(NN=C[C@@H]2CC[C@H](C)C2)c1 800813989 OAQWGNUIOXSYSY-WDEREUQCSA-N 250.317 3.668 30 20 CHED CC(=NNC1CCCCC1)c1cc2c(C)nn(C)c2s1 807983836 ZDOCRCVSZOMQOT-UHFFFAOYSA-N 290.436 3.590 30 20 CHED C#C[C@H](NC(=O)[C@H](C)CCc1ccccc1F)C(C)(C)C 807881396 JGOHCXUGAAMYTR-CJNGLKHVSA-N 289.394 3.559 30 20 CHED CC(C)[C@@H]1OCCC[C@@H]1CN[C@@H]1CCc2ccc(C#N)cc21 564427573 LUYWEBNIWFQCPE-QRQLOZEOSA-N 298.430 3.586 30 20 CHED C=CCCCC(=O)Nc1ncc(C2(O)CCCCC2)s1 290144934 KTBJPFLPFDXQBI-UHFFFAOYSA-N 294.420 3.590 30 20 CHED C=CCCCCCCNC(=O)C[C@@H](O)c1cccc(F)c1 805220485 TZKQWECNHDWFPG-MRXNPFEDSA-N 293.382 3.502 30 20 CHED C=CC(C)(C)CN[C@@H](C)CC(=O)Nc1cccc(C)c1 562664928 AQDZPRSRUWMFDY-AWEZNQCLSA-N 274.408 3.514 30 20 CHED C=CCN(CCC#N)C(=O)c1c[nH]cc1-c1ccc(C)s1 293778270 NYUYTGSDPHPTED-UHFFFAOYSA-N 299.399 3.594 30 20 CHED Cc1nc2ccc(-c3noc(CCCC#N)n3)cc2s1 291015526 BTTPBRATMKMCAU-UHFFFAOYSA-N 284.344 3.501 30 20 CHED COc1cncc(CON=Cc2ccc(C(C)(C)C)cc2)c1 808244491 CHBRZYDUTVDHBE-UHFFFAOYSA-N 298.386 3.938 30 20 CHED C=CCC[C@@H](O)CN1CC[C@@H](C)Sc2ccccc21 472753184 QBDVFAMWLYSGLO-ZIAGYGMSSA-N 277.433 3.704 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 805344205 WFSQBSZHIOBAOZ-DJIMGWMZSA-N 284.403 3.581 30 20 CHED C=C(C)[C@H](N[C@H](C)CCC#N)c1ccc(F)c(F)c1 299193938 DGHYPYQTQAWQQJ-ABAIWWIYSA-N 264.319 3.864 30 20 CHED C#Cc1ccc(CNC2(c3ccccc3F)CC2)cc1 809621547 JHVHMSZZWROHIZ-UHFFFAOYSA-N 265.331 3.586 30 20 CHED C=CCC1(c2nc([C@H](CCC)OC)no2)CCC1 296409225 KTMWWKFTVNGMPI-NSHDSACASA-N 250.342 3.555 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(O[C@@H](C)CC)c1 567021226 OSBWSGPYSGOPCC-OLZOCXBDSA-N 276.380 3.950 30 20 CHED C=CCCCCNC(=O)c1csc2ccccc12 471687061 WDXQWDDBROVODU-UHFFFAOYSA-N 259.374 3.987 30 20 CHED Cc1sccc1/C=C1\S/C(=N/C2CCCC2)NC1=O 295929149 NKWFSIWUJQXGHJ-WQLSENKSSA-N 292.429 3.559 30 20 CHED CCCCC[C@@H](C)CC(=O)N(C)CC(C)(C)C#N 817618200 YMFOGVNQFDUNBC-CYBMUJFWSA-N 252.402 3.601 30 20 CHED CC(=NNc1ccccc1F)c1ccc(C)nc1C 814789734 MXDZNOZXMYYMAI-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CC[C@H](CC(=O)Nc1cc(C#N)ccc1NC)C(C)C 560711036 MXHSOLLHUCMWLT-CYBMUJFWSA-N 273.380 3.611 30 20 CHED CC(CCCO)=NNc1cc(C)c2cc(Cl)ccc2n1 814767755 SZXTUIPQKNDVOI-UHFFFAOYSA-N 291.782 3.757 30 20 CHED Cc1ccc(-c2nc(CC3CCCC3)no2)cc1C#N 815714141 MZWWNIHXOCWJMV-UHFFFAOYSA-N 267.332 3.649 30 20 CHED C=CCC[C@@H](NCCOc1ccccc1)c1ccco1 562854337 JZNJVZFGTZHIRP-MRXNPFEDSA-N 271.360 3.956 30 20 CHED C(=NOC1CCC1)c1cnc(-c2ccccc2)s1 812236102 HBHGRPJSFOJDRJ-UHFFFAOYSA-N 258.346 3.713 30 20 CHED C#C[C@@H](NCc1ccc(OC)cc1)c1ccc(Cl)cc1 811516354 MBUZXRDPBBGGMY-QGZVFWFLSA-N 285.774 3.813 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCc3ccc(C)s3)c2c1 488073891 AOSJEVYFPYUPBZ-UHFFFAOYSA-N 293.395 3.819 30 20 CHED CSCCCC=NNc1nc2ccccc2s1 814686438 GGGBCGNUVBMSAJ-UHFFFAOYSA-N 265.407 3.837 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N(C)C1(C#N)CCC1 577731902 YNSVDVNQFRNQMA-CQSZACIVSA-N 262.397 3.664 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CC[C@H]1C1CCC1 814685007 ARDFINSQKLVNNM-NSHDSACASA-N 259.309 3.573 30 20 CHED C[C@@H]1C(=NOCc2ccccc2)CC[C@@H](C(=O)O)C1(C)C 814792481 RMODEHUESXJSHP-OCCSQVGLSA-N 289.375 3.716 30 20 CHED C=C(C)CNC(=O)NC1CCC(c2ccc(F)cc2)CC1 488580415 IGSPXRQZXXGJAY-UHFFFAOYSA-N 290.382 3.727 30 20 CHED N#CCCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 483737087 ZOARNOCQZDUCEJ-KURKYZTESA-N 268.404 3.948 30 20 CHED Cl/C=C\CON=Cc1ccccc1N1CCCCC1 811670061 MRMBOBBYLPPRQK-CZZAULRRSA-N 278.783 3.780 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C1CC[C@H]1C1CCC1 814823632 PBPMEPHFIYULLI-LBPRGKRZSA-N 289.335 3.581 30 20 CHED C=C(C)CNC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 488576615 JXDCLKHLIFUKRF-INIZCTEOSA-N 272.392 3.673 30 20 CHED CCCCOc1cc(C=NOC2CCC2)ccc1OC 812237424 ZRVRIYWEXGHWCC-UHFFFAOYSA-N 277.364 3.777 30 20 CHED COc1cccc(O)c1C=Nc1ccc(C)c(C)c1 812387689 PXRJXGHRRKNKRI-UHFFFAOYSA-N 255.317 3.768 30 20 CHED CCC(=NNc1ccnc(Br)c1)c1ccco1 814904326 DOVXFOASYHWGND-UHFFFAOYSA-N 294.152 3.663 30 20 CHED C[C@@H](Cc1ccsc1)NC(=O)Nc1cccc(CC#N)c1 577344929 DHGYYNSZXPIUII-LBPRGKRZSA-N 299.399 3.567 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](OC(C)C)c1ccccc1 489961981 ACBSJZRGQRKXNA-INIZCTEOSA-N 289.419 3.871 30 20 CHED Cc1ccccc1O[C@H]1CCCC[C@H]1NCCCCC#N 484649497 KDNUMFVRSOGELY-AEFFLSMTSA-N 286.419 3.969 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2ccccc2Cl)nc1 729012672 SSDOYCOGOJMNLT-NSHDSACASA-N 285.730 3.634 30 20 CHED CC(C)CCC=NNc1cccc(C(F)(F)F)n1 814853877 YXUQKBBNOGQHEB-UHFFFAOYSA-N 259.275 3.934 30 20 CHED C=CCCC(=O)OCc1ccc(C(C)C)nc1CC 815200425 JXFKACWPWGNAKZ-UHFFFAOYSA-N 261.365 3.777 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCOc1ccc(C)cc1C 488875529 GUDMGARDUMBAHD-INIZCTEOSA-N 287.403 3.639 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ccnn1CC1CC1 657496372 OZPUUJSTALGDCG-GOSISDBHSA-N 295.430 3.570 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2C=CCC2)cc1C#N 823664534 SNTBJLUPGYAGGF-CYBMUJFWSA-N 299.374 3.576 30 20 CHED C=CCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 574745446 FHWFEYJETHZIQV-KKUMJFAQSA-N 288.439 3.602 30 20 CHED N#CCC1(CN[C@@H](CC2CC2)c2ccccc2)CC1 572094873 BXULVXGAVBVWDP-INIZCTEOSA-N 254.377 3.811 30 20 CHED CC[C@H]1C[C@@H](C)CN1c1ncc(Cl)c(C)c1C#N 572319390 STUNZUAHILLEDR-KOLCDFICSA-N 263.772 3.540 30 20 CHED C=CC(C)(C)c1nc(-c2cnccc2C(F)(F)F)no1 664986796 MPUXHCBGPSXJMH-UHFFFAOYSA-N 283.253 3.614 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccsc2)C1 666314575 UJMGTASBLFRXCR-LLVKDONJSA-N 250.367 3.568 30 20 CHED Cc1cccc(C)c1NC(=S)NN=C1CCC[C@H]1C 729140427 GPAJLLLLZQFFCH-SNVBAGLBSA-N 275.421 3.766 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 588386301 BTIBHWREKLCATG-RJRFIUFISA-N 288.690 3.539 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)Cc1ccsc1 663772068 CIIJARHXTGGFGG-LBPRGKRZSA-N 280.437 3.723 30 20 CHED CC[C@@H](NCC1(SC)CCC1)c1cccc(C#N)c1 902976269 NNDHEPIJALTCBR-OAHLLOKOSA-N 274.433 3.885 30 20 CHED CC(C)c1ccc(-c2noc([C@H](N)CCCC#N)n2)cc1 822650045 NDYIBYQARREFBP-CQSZACIVSA-N 284.363 3.554 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2csc(C(=O)O)c2)c1 730149985 NQNASLDKXPLRHX-WAYWQWQTSA-N 286.352 3.959 30 20 CHED N#CCCCCCC(=O)NC(C1CCC1)C1CCC1 588765950 CANUXGXIMABCSQ-UHFFFAOYSA-N 262.397 3.545 30 20 CHED O=[N+]([O-])c1ccc(CCCC/N=C\c2ccccc2O)cc1 739427778 YZUFQKMJSWPUNX-AQTBWJFISA-N 298.342 3.742 30 20 CHED C=CCCNC(=O)N(C1CCC(CC)CC1)C1CC1 665945111 AIRIGKJPVQMBKQ-UHFFFAOYSA-N 264.413 3.705 30 20 CHED C#CCCNc1cc(NC(=O)OC(C)(C)C)ccc1C 494112260 DJAZTYAPVLMQGY-UHFFFAOYSA-N 274.364 3.777 30 20 CHED COc1cccc(NN=Cc2ccnc3ccccc23)c1 731314493 NLZUVVGPRSQOSU-UHFFFAOYSA-N 277.327 3.689 30 20 CHED C[C@@H]1C/C(=C\c2ccc(F)nc2)C(=O)c2ccccc21 588524152 ZJOLHRVLZARJAN-VSXLWIIGSA-N 267.303 3.994 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C(C)C)n2CC(=C)C)C1 669309407 HWQPOPXBBSREGG-OAHLLOKOSA-N 288.439 3.770 30 20 CHED C=CCCC(=O)Oc1cc(C)ccc1Br 839437052 QNOPKXJXGGESFB-UHFFFAOYSA-N 269.138 3.629 30 20 CHED C=CCC[C@H](CC)N[C@H](C(=O)O)c1cccc(C)c1C 901852464 NIHBPQWCYRZPSY-HOCLYGCPSA-N 275.392 3.764 30 20 CHED CC(=NNc1ccc(C)cc1Cl)c1cn(C)nc1C 835011884 OBLBVNQZLPKXOS-UHFFFAOYSA-N 276.771 3.526 30 20 CHED O=C(C(C1CCC1)C1CCC1)N(O)Cc1ccc(F)cc1 901373195 UIGSMCYSCHFOGV-UHFFFAOYSA-N 291.366 3.760 30 20 CHED C=CCC[C@@H](C)NC[C@]1(CC)OCCc2ccccc21 580863836 XXBQHSVODPSOLZ-QAPCUYQASA-N 273.420 3.809 30 20 CHED C=C(Cl)CNC(=O)[C@@H](SCc1ccccc1)C(C)C 736245998 KNCZLUZOAQKOFX-AWEZNQCLSA-N 297.851 3.813 30 20 CHED C#CCCCN1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 832241838 GTYCCEFOAZDNNU-ZJUUUORDSA-N 287.247 3.605 30 20 CHED C=CCCCCCN1[C@H](C)C[C@H](C)[C@@H](C(=O)O)[C@H]1C 903950552 QRGCUEOLALSSJQ-GBJTYRQASA-N 267.413 3.552 30 20 CHED CC(C)CC[C@@H]1CCC(=NNC[C@@H]2CCSC2)C1 834979595 JTUQUQYWNXDCGL-KGLIPLIRSA-N 268.470 3.921 30 20 CHED CC(C)(C)c1nc(CNc2ccc(F)c(C#N)c2)co1 901383401 PGNQROORFSUWJF-UHFFFAOYSA-N 273.311 3.595 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C(=O)O)c1ccc(OC)cc1 901649072 RRGAJVLTHPEFCR-CZUORRHYSA-N 291.391 3.545 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(C)C[C@H](C)C#N 735039949 IGIDLNKSFZLYII-ZIAGYGMSSA-N 252.402 3.601 30 20 CHED COc1cccc([C@@H](C)/N=C/c2cccc(OC)c2O)c1 917558750 XGIDRARVEFTQPI-MBNTZHJCSA-N 285.343 3.590 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1nc2ccccc2s1)OC 834914204 MRCVYAUTKVQNKQ-ZYHUDNBSSA-N 277.393 3.755 30 20 CHED COC(=O)c1ccc(C=NNc2cc(C)cc(C)c2)cc1 916346444 BLEVDGQPUYUUOZ-UHFFFAOYSA-N 282.343 3.536 30 20 CHED C=CC[C@H](C)NC(=O)/C=C\c1ccccc1OC(F)(F)F 735066031 MQMMKJHLPAKCOG-JUDLJHIGSA-N 299.292 3.679 30 20 CHED N#Cc1ccc(NN=Cc2ccc(Cl)cc2)cc1 915962531 SNGKNBJAHLJNMA-UHFFFAOYSA-N 255.708 3.658 30 20 CHED CC(=NNC[C@@H]1CCSC1)[C@@H]1CCCC[C@@H]1C 834980430 RGVIDGGAHQVBDK-FPMFFAJLSA-N 254.443 3.531 30 20 CHED N#Cc1cc(COC(=O)[C@H]2CCCCC2(F)F)ccc1F 837823618 LPDKDZBEKCPZRW-GFCCVEGCSA-N 297.276 3.566 30 20 CHED CCC(=NNc1cccc(Cl)c1)[C@H]1CCOC1 741838344 UVYRGSZSPTWMEG-JTQLQIEISA-N 252.745 3.554 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(O)cc1 916248051 HMXAIJIMJVDJNH-UHFFFAOYSA-N 262.259 3.507 30 20 CHED C=CCN(C(=O)c1cc2cc(OC)ccc2nc1C)C(C)C 915153753 VWUWKSBQOJLBDR-UHFFFAOYSA-N 298.386 3.588 30 20 CHED C[C@H](C#N)N(CCOc1ccc(Cl)cc1Cl)C1CC1 595719013 ZEPJFBWLXXAXMA-SNVBAGLBSA-N 299.201 3.749 30 20 CHED C#CCN(C/C(Cl)=C/Cl)Cc1ccc(F)cc1 746502645 HAFQRBPKVWVTDS-WQLSENKSSA-N 272.150 3.580 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1CCN(C(C)(C)C)C1=O 842882209 PJQGFETVQWVIHF-HUUCEWRRSA-N 280.456 3.500 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)C1CCCC1)c1ccncc1 749392720 ZITHYMBEPYIORQ-XJKSGUPXSA-N 272.392 3.641 30 20 CHED O=[N+]([O-])c1cccc(NN=C/C=C\c2ccccc2)c1 916269096 QYRDWKARWCBCNW-CASMWYGASA-N 267.288 3.706 30 20 CHED C=CCOCCCC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 742581358 BCULQQLHZPFZKU-HOTGVXAUSA-N 295.467 3.938 30 20 CHED CC[C@H](COc1ccc(C#N)c(OC)c1)CC(F)F 594900448 PQZKNGSKKZADST-JTQLQIEISA-N 269.291 3.627 30 20 CHED Cc1ccccc1NC(=S)NN=Cc1sccc1C 915920328 FIWVOXCIYGHAIH-UHFFFAOYSA-N 289.429 3.685 30 20 CHED N#Cc1ccc(SCC(=O)OCCC2CCCC2)cc1 744954062 GXTKYTDAABLPHW-UHFFFAOYSA-N 289.400 3.774 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=Cc1cc(C)ccc1C 746679480 HVNDNTYRBKOLPW-UHFFFAOYSA-N 299.330 3.666 30 20 CHED C[C@@H](/N=C/c1cccc(O)c1O)c1c(F)cccc1F 917558834 ZSTUSXZQHJTQMF-SEYNJHBTSA-N 277.270 3.556 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](C3CCC3)C2)cc1 591126757 SZZJJYXBWMRNQG-INIZCTEOSA-N 296.414 3.750 30 20 CHED CCCCCCCC(=O)Nc1cccnc1-n1cccn1 914731673 KWYPEYQGRXUTEK-UHFFFAOYSA-N 286.379 3.566 30 20 CHED Cc1cc(C)c(/C=C\C(=O)NC2(C#N)CCCCC2)cc1C 749603884 NUGCRIOWDUBOCI-FPLPWBNLSA-N 296.414 3.968 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@]12CCC[C@@H]1C2 591515469 OBDCEEVZKNXSCI-ABAIWWIYSA-N 274.751 3.535 30 20 CHED C[C@@]1(Cc2ccccc2F)CCCN1c1ccc(C#N)cn1 591973286 WWNZFNXJBJKTAI-SFHVURJKSA-N 295.361 3.694 30 20 CHED C=CCC1(NC(=O)c2ncccc2CSC)CCCC1 598875279 KFIWLFBMJIRYMD-UHFFFAOYSA-N 290.432 3.563 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1cc2cc(F)ccc2o1 741844786 SUDIHHSIZPOTPA-PLNGDYQASA-N 284.290 3.510 30 20 CHED CCc1cc(NC(=O)N2CCC[C@H](CC#N)C2)ccc1F 596906256 GHLGZRUKPUYVPY-GFCCVEGCSA-N 289.354 3.546 30 20 CHED CCC1(CC)CCCN(C(=O)Cc2cccc(C#N)c2)C1 598216791 ZPYUGGAZZUALJS-UHFFFAOYSA-N 284.403 3.530 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@H]2CCC[C@H]21 685552144 VVKHBYQVEWUONJ-UKRRQHHQSA-N 286.423 3.501 30 20 CHED Cc1nc(-c2noc(CC3(C#N)CCCCC3)n2)cs1 596600203 CLHRUYMSSMDHDL-UHFFFAOYSA-N 288.376 3.518 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)CC2(C#N)CCCCC2)C1 597327705 ZDYZGJTXMVTAOV-HNNXBMFYSA-N 276.424 3.745 30 20 CHED Cc1cc([C@@H](C)NCCc2ccc(C#N)cc2)c(C)o1 595055210 AZOZHSJNFWMASS-CYBMUJFWSA-N 268.360 3.661 30 20 CHED CCCc1ccc(CCCC(=O)N[C@](C)(C#N)CC)cc1 592609187 HGSKFVPFVOJNLD-SFHVURJKSA-N 286.419 3.770 30 20 CHED CS[C@@H](C)CC(=O)N(c1ccc(C#N)cc1)C1CCC1 598882848 OBBZNLURQSUYAA-LBPRGKRZSA-N 288.416 3.585 30 20 CHED CCCCCCCCNC(=N)NCc1ccccc1F 849057199 COWJSAQQPPSWJC-UHFFFAOYSA-N 279.403 3.800 30 20 CHED CCCCCCCC(=O)Nc1cccnc1N1CCCC1 918579275 RAMCVQDWULTICU-UHFFFAOYSA-N 289.423 3.981 30 20 CHED C=CCCCC(=O)O[C@H](C)c1nc(-c2cccs2)no1 748235061 WCPGCKQLXOEIFB-SNVBAGLBSA-N 292.360 3.759 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCC[C@@H](CC#N)C1 597904127 DCQPJEAKAFFVLI-KGLIPLIRSA-N 264.413 3.601 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCCC[C@H]2C)c1 844257002 ITFKDYTUOMBFIM-IUODEOHRSA-N 272.417 3.533 30 20 CHED C=CCOCCSCCC(Cl)(Cl)Cl 842186320 VVAZNHVKXMFOGO-UHFFFAOYSA-N 263.617 3.683 30 20 CHED CCCCCCCCNC(=N)NCc1ccoc1C 849068305 UWTLALUPIVKVKT-UHFFFAOYSA-N 265.401 3.562 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H](C)Oc2ccccc2C)c1 741842008 DJYDOXSPCAFRAJ-VCRXTVNUSA-N 299.370 3.596 30 20 CHED CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ncccc1Cl 926614166 HWJDMZPYFPZGQR-OUCADQQQSA-N 277.799 3.858 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(OCCC(C)C)cc1 749228117 MPOGAARFKRQPSL-UHFFFAOYSA-N 288.391 3.599 30 20 CHED CO[C@@H]1C[C@H](/N=C/c2c(O)ccc3ccccc23)C12CCC2 840710607 KTGGGSIRJCJXBZ-YZJQUUSSSA-N 295.382 3.922 30 20 CHED CCC(=NNc1ncnc2ccsc12)[C@@H]1C[C@H]1C 841631213 WFIKATJTSIBTDJ-RKDXNWHRSA-N 260.366 3.525 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(cnn2C(F)F)c1 682382992 WYKPAGKYNASCBS-HNNXBMFYSA-N 293.317 3.972 30 20 CHED C[C@@H](Cc1ccccn1)N[C@@H](CCC#N)c1ccccc1 925601746 OESRDWIOCFYGOB-YJBOKZPZSA-N 279.387 3.647 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cc(C)cc(C)n1 929363907 LTAGTYONXPIPHG-UHFFFAOYSA-N 291.398 3.758 30 20 CHED Cc1ccc([C@H](C)NCc2cc(C#N)ccc2F)c(O)c1C 756734616 XLKGGBQYGHPWNA-ZDUSSCGKSA-N 298.361 3.871 30 20 CHED Cc1ccc(CN(CCO[C@@H](C)C#N)C(C)(C)C)cc1 859437598 BBDFTTYSZPLAOX-HNNXBMFYSA-N 274.408 3.524 30 20 CHED CCCC1CCC(C=NN=C(C)c2cnccn2)CC1 755752988 ABPBNXHRGTUXHD-UHFFFAOYSA-N 272.396 3.878 30 20 CHED COc1ccc2oc(C=NN3CCCC[C@H]3C)cc2c1 853379758 MIDZWKJMVJNFKL-GFCCVEGCSA-N 272.348 3.650 30 20 CHED COC(=O)c1ccc(/C=C2/C[C@@H](C)c3ccccc3C2=O)[nH]1 751534789 FIOGKLFHKYOHHU-JPQYHBGPSA-N 295.338 3.575 30 20 CHED CCCCCCCCNC(=O)c1sccc1CN(C)C 755215569 KRQHZEPBVBRZJT-UHFFFAOYSA-N 296.480 3.900 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](CCC)c1ccccn1 683831471 ZOMVFIWSWMBDPM-GOEBONIOSA-N 287.407 3.673 30 20 CHED C=CCCC(C)(C)NCc1ccc(O[C@@H](C)C#N)cc1 850416804 DUBYADOVZTZLRP-AWEZNQCLSA-N 272.392 3.812 30 20 CHED CCN(C(=O)/C(C)=C\c1ccccc1Cl)[C@@H](C)C#N 856074801 CYROSMRUUOUKEU-MMRAYRKESA-N 276.767 3.504 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OCCC)cc2C)CC1 929886210 MSXUZQRHSHCSPT-UHFFFAOYSA-N 288.391 3.968 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2ccc(O)cc2O)c1 757471336 BFEBAVBMSYPBPG-ZZXKWVIFSA-N 268.312 3.611 30 20 CHED C#Cc1cccc(CNCc2ccc(OCC)cc2C)c1 850321210 JQFKCRJGYBKFPA-UHFFFAOYSA-N 279.383 3.665 30 20 CHED Oc1cccc(C=Nc2cccc3c2CCCC3)c1O 920942837 GLJYBJMXYQKPOC-UHFFFAOYSA-N 267.328 3.727 30 20 CHED COc1ccc(C=NNc2cc(F)cc(F)c2)cc1F 920374534 FKRFTSJMMJIWDV-UHFFFAOYSA-N 280.249 3.559 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)COc2c(F)cccc21 755589843 DGQGUOTWQYQVPF-WMZJFQQLSA-N 290.240 3.763 30 20 CHED C#CC[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccccn1 850819700 SYVSMNYSYMTSMU-MRXNPFEDSA-N 296.370 3.553 30 20 CHED CC(C)c1ccc(C=Nn2cc(Br)cn2)cc1 752742830 KALKMEAVCYKLSX-UHFFFAOYSA-N 292.180 3.651 30 20 CHED C#Cc1cccnc1NCCCO[C@H](C)c1ccccc1 853095062 HCOSTVWFCPTGNF-OAHLLOKOSA-N 280.371 3.643 30 20 CHED CC[C@@H](C)N(CC)Cc1cc(Cl)ccc1OCC#N 852293605 PGUTVOBRXKCUAA-GFCCVEGCSA-N 280.799 3.863 30 20 CHED CCCC[C@](C)(F)C(=O)OC[C@H](C#N)Cc1ccccc1 850882308 OFZMQEQIYAKURZ-RDJZCZTQSA-N 291.366 3.830 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(F)cccc1N1CCCC1 931697146 IEVJXOLNZCUJTM-CYBMUJFWSA-N 290.382 3.967 30 20 CHED CC(=NOCC(F)(F)F)c1cc(C)c(F)c(C)c1 764846651 MOVLDXGGRUIFMK-UHFFFAOYSA-N 263.234 3.745 30 20 CHED C=C[C@@H](CC)CC(=O)N1Cc2ccc(OC)cc2C2(CC2)C1 936051355 QJTSPWMPUZYLJU-AWEZNQCLSA-N 299.414 3.671 30 20 CHED C#C[C@@H](C)N(C)C(=O)C(C)(C)CCCc1ccccc1 767254008 YHUXXQUPCITLRW-OAHLLOKOSA-N 271.404 3.516 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C)CCc2ccco2)cc1 764609026 QNANFKONTDXCBV-CVEARBPZSA-N 297.398 3.964 30 20 CHED Cc1cc(/C=C2\COc3c(C)cccc3C2=O)ccc1C#N 766492855 YSYWOCUCYHAOHX-CXUHLZMHSA-N 289.334 3.834 30 20 CHED CC#CCCOC(=O)c1nc(C)sc1-c1ccccc1 760274930 WFSYRHBSUXEQMN-UHFFFAOYSA-N 285.368 3.689 30 20 CHED COc1ccsc1/C=C1\Cc2c(F)cccc2C1=O 764434164 XIDKTQBCZZVHHW-CMDGGOBGSA-N 274.316 3.718 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C)c(N3CCCC3)c2)CC1 932250348 WBBYOTUPGIEQPE-UHFFFAOYSA-N 299.418 3.779 30 20 CHED Cc1cccc2oc(C(=O)N(CCC#N)C(C)C)cc12 931327334 NQQAAMOWJQYRLN-UHFFFAOYSA-N 270.332 3.506 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2coc3ccccc23)ccc1F 769821030 BETJYPHRXCWRGP-UHFFFAOYSA-N 299.261 3.926 30 20 CHED CO[C@H](C)C(C)=NNc1ncc(C(F)(F)F)cc1Cl 763116072 JXFSKHQRWMNEAB-SSDOTTSWSA-N 295.692 3.577 30 20 CHED C#CCCCCNC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 765895359 XHGILXDMEMHCNY-MRXNPFEDSA-N 290.451 3.792 30 20 CHED C#CCCCNc1cccc(Cl)c1OCCOCC 766722607 BDKDOYUMMXIPCI-UHFFFAOYSA-N 281.783 3.581 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccncc1 766018202 GJZAVRKZCNFXEH-KBXCAEBGSA-N 294.398 3.985 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1CCC[C@@H]1C 769478234 ZWOGSHCACOGHCU-STQMWFEESA-N 289.350 3.603 30 20 CHED COc1cc(C#N)ccc1CN1Cc2ccccc2[C@@H](C)C1 766896305 ZKOBDSLJRVLRLG-AWEZNQCLSA-N 292.382 3.686 30 20 CHED C#CCCc1noc(-c2cc(Cl)c3ccccc3c2O)n1 762015180 XTXCPQCSJSHISN-UHFFFAOYSA-N 298.729 3.815 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ncnc3sccc23)C1 768353941 CJUBNDQZZPHMTI-MNOVXSKESA-N 274.393 3.915 30 20 CHED C=C[C@H](Cc1nnc(-c2cccc(C)n2)o1)c1ccccc1 1117247108 MOWDZOMUGLYYKB-CQSZACIVSA-N 291.354 3.952 30 20 CHED CC#CC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C 764053040 CAXJNYCUEMVNGM-QGZVFWFLSA-N 271.404 3.821 30 20 CHED N#C[C@H](OC(=O)/C=C/c1ccccc1C(F)(F)F)C1CC1 870221382 NDZSTWYTBARWGW-GWJCSSMESA-N 295.260 3.564 30 20 CHED C=CCN(C(=O)c1cc(C)n(C2CCCCC2)n1)C(C)C 776302583 QLDBNLDHALYRTP-UHFFFAOYSA-N 289.423 3.733 30 20 CHED C[C@@H](CSc1ccccc1)C(=O)OCCC(C)(C)C#N 776386151 RVHVKNLSESMBIG-ZDUSSCGKSA-N 291.416 3.898 30 20 CHED C=CC[C@@H](C(=O)NCCNc1ccccc1)c1ccccc1 778869904 JLHMABVLAMZXNY-GOSISDBHSA-N 294.398 3.575 30 20 CHED COc1ccc(C(=O)/C=C\c2nc3c(s2)CCCC3)cc1 776263186 NVGDQWRVYYQNFM-KHPPLWFESA-N 299.395 3.927 30 20 CHED Cc1cc(C=Nn2c(S)nnc2C(C)C)ccc1Cl 779759912 KISCAFYCIVCMDJ-UHFFFAOYSA-N 294.811 3.534 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1nc(-c2ccncc2)cs1 872123722 ZKXQOSBLRQYQCH-STQMWFEESA-N 287.432 3.895 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1csc(C)n1 773123646 BAOQDYWCVKJEJI-ZDUSSCGKSA-N 265.426 3.734 30 20 CHED C=CCCOCCCCC(=O)Oc1c(F)cccc1F 776188467 RWNJWGPTLJKJCI-UHFFFAOYSA-N 284.302 3.633 30 20 CHED CCc1cccnc1C(C)=NNc1cc(F)c(F)cc1F 779771178 HAKIYJIDCMQRGN-UHFFFAOYSA-N 293.292 3.897 30 20 CHED N#CCc1ccc(COC(=O)/C=C\c2ccccc2F)cc1 776112923 BXXYOCOLDKRMDC-KTKRTIGZSA-N 295.313 3.648 30 20 CHED C#CCCCN1CCC(c2ccc(Cl)cc2)CC1 775824686 UPSWBOVENDGAPF-UHFFFAOYSA-N 261.796 3.933 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(-n3cccn3)cc2)c1 874083668 MLACZWLDPHOERY-UHFFFAOYSA-N 290.370 3.935 30 20 CHED FC(F)(F)c1ccccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774596770 LRXIIPGPZFMKSU-MJVIPROJSA-N 282.309 3.818 30 20 CHED C=C(CC)COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 773496611 LNEVFFOTHRYHBF-GHMZBOCLSA-N 264.287 3.865 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(OCC(C)(C)O)cc1 777693077 OKRYKXGSUFZPGR-KGLIPLIRSA-N 277.408 3.849 30 20 CHED CCC(=NOCCC(F)(F)F)c1ccc2c(c1)CCO2 777461330 XENXYTUNQBSKCX-UHFFFAOYSA-N 287.281 3.705 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccccc1OC)C1CC1 1120349120 OTFOUNWPCAAILW-AWEZNQCLSA-N 287.403 3.789 30 20 CHED C=CCN(CC=C)C[C@H](O)c1ccc(Cl)cc1Cl 62350869 CDADPDVBBMMFLE-AWEZNQCLSA-N 286.202 3.701 30 20 CHED C#Cc1cccc(NC(=S)NN=C(CC)CCC)c1 776179498 ANEUTOGYLILOSN-UHFFFAOYSA-N 273.405 3.520 30 20 CHED COc1ccc(CCNN=C2CCC[C@H](C)[C@H]2C)cc1 781126927 IWPXYYTYARSVLM-UONOGXRCSA-N 274.408 3.639 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc3cnccc3c2)c1 1129809945 WYCGDESLWYRUOI-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1ccccc1C1(C(=O)OCCC(C)(C)C#N)CCC1 788185214 YMZNXRLURLEJEM-UHFFFAOYSA-N 285.387 3.900 30 20 CHED C[C@H](C=NN[C@H](CO)c1ccccc1)CCc1ccccc1 788461646 SANPNUIHAQBXQK-QFBILLFUSA-N 296.414 3.564 30 20 CHED C=C1CCC(C(=O)Nc2ccnc(Cl)c2F)CC1 891515152 KVGVKOOHZUNZOY-UHFFFAOYSA-N 268.719 3.559 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H]2c2ccc(F)cc2)nc1 783292514 ASLUVHLABPNBSR-ROUUACIJSA-N 295.361 3.518 30 20 CHED Clc1ccc2c(c1)C(=NOC[C@H]1CCOC1)CCCC2 788034414 SAHOAVNKQXVULV-LBPRGKRZSA-N 293.794 3.824 30 20 CHED C=C[C@H](CC(=O)N1C[C@H]2CCC[C@H]1C2)c1ccccc1 890315438 MTVMICYLFDDECZ-UXLLHSPISA-N 269.388 3.747 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccc(O)cc1 782303453 ZLTIRBQNPYNETD-BQYQJAHWSA-N 271.341 3.622 30 20 CHED N#CCCN(Cc1cc(-c2cccs2)on1)CC1CC1 81514800 JWYYWJVBAZXRCI-UHFFFAOYSA-N 287.388 3.529 30 20 CHED COc1ccc(C=NNc2cccc3ccccc23)cn1 780219497 OVZKAZPWXSFSOV-UHFFFAOYSA-N 277.327 3.689 30 20 CHED Cc1cc(C#N)ccc1Oc1nc2ccccc2o1 76269754 ZGXSYQRUQQWVKU-UHFFFAOYSA-N 250.257 3.800 30 20 CHED CCCNc1ccc(C#N)cc1NCCOc1ccccc1 795268365 UXWNBRHYGMYUBA-UHFFFAOYSA-N 295.386 3.871 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(F)cc1Cl 501006590 URWWQUWFQLBFCU-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CN(C2CC2)C[C@@H]1C 793536463 WNCGBNUOTNQHHB-YQQAZPJKSA-N 264.457 3.584 30 20 CHED Clc1cccc(NN=Cc2ccc3[nH]ccc3c2)n1 793174696 LEOMMJOOWDLJKR-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(SC)cc2)c(C)n1 899343018 MIPJFPRVRFEOAD-JXMROGBWSA-N 286.400 3.829 30 20 CHED CC(C)Oc1ccccc1C(=O)Nc1cc(F)cc(C#N)c1 1132445457 GGLBLALMZOXRSA-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CCCCNc1cccc(Br)c1C#N 164979989 IJMYKLLDYVPVBB-UHFFFAOYSA-N 253.143 3.533 30 20 CHED FC(F)(F)CCNN=Cc1ccc(Oc2ccccc2)o1 794548723 ZHHLPJUBUJUZAM-UHFFFAOYSA-N 298.264 3.948 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C1CC1 797571025 KZRUPPACTFAUMZ-KOLCDFICSA-N 276.405 3.663 30 20 CHED COCCCON=C(Cc1ccc(C)cc1)C(C)C 795053028 GDEMEPASVZEQLY-UHFFFAOYSA-N 263.381 3.603 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccccc1C#N 799499456 WGGVIXZJIIGECY-SREVYHEPSA-N 269.325 3.524 30 20 CHED C=CC[C@H](CC)NC1CCC(NC(=O)OC(C)(C)C)CC1 393764929 OYMIYOGFKLRJQP-NFOMZHRRSA-N 296.455 3.767 30 20 CHED N#Cc1ccc(COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(F)c1 794731927 NBIGXJREENGIRD-WHOFXGATSA-N 287.334 3.567 30 20 CHED c1ccc([C@@H]2CCCC2=NNc2ccc3[nH]ncc3c2)nc1 794928338 WUSPWJWZKKUMEJ-AWEZNQCLSA-N 291.358 3.694 30 20 CHED N#Cc1c(Br)cccc1NCCc1ccco1 168493869 UFTJCJBCPVSSON-UHFFFAOYSA-N 291.148 3.568 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Oc2cccc(F)c2)c1 794841542 TTXGFLUQZGBWIG-UHFFFAOYSA-N 275.666 3.570 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc2[nH]ccc2c1 1205606525 WRNLEQULMVCBQG-UHFFFAOYSA-N 275.355 3.672 30 20 CHED COc1ccc2nc(C=NN[C@@H](C)C(C)(C)C)sc2c1 793110784 BXZQZKHICASMBL-JTQLQIEISA-N 291.420 3.663 30 20 CHED CC[C@H](C)NN=C1CCC[C@H](c2ncccc2C)C1 799113513 HUGGMKZCGOSNHG-KBPBESRZSA-N 259.397 3.792 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2Nc2ccc(C#N)cc2)cc1 797831565 YPJVITTZKPERHN-ZWKOTPCHSA-N 278.355 3.925 30 20 CHED O=C(/C=C/c1c(F)ccc(O)c1F)c1cccs1 794927535 SPVFZGMOISZZDK-HWKANZROSA-N 266.268 3.628 30 20 CHED Cc1nn(C(C)C)cc1C=NNc1ccccc1Cl 799105428 XAUSFHMPKKZYBM-UHFFFAOYSA-N 276.771 3.872 30 20 CHED Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)cc1C#N 799316638 IFEVVIQLZQQDIF-LRDDRELGSA-N 294.354 3.513 30 20 CHED FCC[C@@H]1CCCC1=NNCc1cccc(Cl)c1 794919115 PCQRAPHRPOWVDY-LBPRGKRZSA-N 268.763 3.945 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1CC(C)C 790855413 XKNKIZANOZRLQW-UHFFFAOYSA-N 257.377 3.699 30 20 CHED CCC(C)(C)CCOC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 795827149 WZWHBIKEADCVFY-MRXNPFEDSA-N 298.386 3.610 30 20 CHED C=CCNN=Cc1ccc(OCc2ccc(F)cc2)cc1 794992942 MIOVHUBBTICHQZ-UHFFFAOYSA-N 284.334 3.514 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1nc2c(s1)CCCC2 799500477 WWWLXGZGJRTJSA-MDZDMXLPSA-N 294.379 3.790 30 20 CHED C#CCC(C)(C)C(=O)OCc1cccc(SC)c1 797066809 FHYDGUCBHFIUAL-UHFFFAOYSA-N 262.374 3.501 30 20 CHED CC[C@H](C)Oc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 799721335 BPFHEVXSSGWUEY-KCQAQPDRSA-N 258.365 3.968 30 20 CHED N#CCc1cccc(N2CC[C@H](C3CCCCC3)C2)n1 1149999031 LLZGQFLCCUDAII-HNNXBMFYSA-N 269.392 3.554 30 20 CHED C#CCCCCC(=O)NC1CCC(C2CCC2)CC1 695817402 TWMLQTOJZOIZKB-UHFFFAOYSA-N 261.409 3.655 30 20 CHED C#CCN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 780612577 MBUWXYHAQZDULX-UHFFFAOYSA-N 283.158 3.623 30 20 CHED CC1(C)CN(CCC2(C#N)CCCCC2)C(C)(C)CO1 1307482330 OWTKTJQZPFYCLL-UHFFFAOYSA-N 278.440 3.740 30 20 CHED C=CCC[C@H](NC(=S)NCC1CCC1)c1ccccc1 1319312245 YSQSPWDHLBGLMU-INIZCTEOSA-N 288.460 3.958 30 20 CHED O=C1/C(=C\c2ncc(-c3ccccc3)[nH]2)Oc2ccccc21 1322091738 FUISHQDAQDDVJF-MHWRWJLKSA-N 288.306 3.693 30 20 CHED Cc1ccc(C#N)c(NCC(C)(C)C2CCCC2)n1 1639658093 JLOJSLJIFPBCRJ-UHFFFAOYSA-N 257.381 3.890 30 20 CHED N#Cc1ccccc1/C=C/c1nnc(-c2ccccc2)o1 1322824555 PGWNZGZDYJNTOF-ZHACJKMWSA-N 273.295 3.779 30 20 CHED C[C@@H]1CCCC[C@H]1CN1CCc2c(C#N)cccc21 1171345059 VAGCPCCNTZQGGA-HIFRSBDPSA-N 254.377 3.747 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1c1cccc(CC#N)n1 1325709993 KRLAYAOZXFTXLZ-WBVHZDCISA-N 291.398 3.605 30 20 CHED COc1ccc2c(c1)C(=NOC(C)(C)C)CCS2 1320935747 DXCHDFHZGBSAIG-UHFFFAOYSA-N 265.378 3.710 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1ccc(SC)cc1 1338840271 ZAYYQUHMZQYRAD-LBPRGKRZSA-N 263.406 3.942 30 20 CHED N#Cc1ccc(C(=O)N(C2CCCCC2)C2CC2)c(F)c1 1336437339 CPDQKRBQIQZPNF-UHFFFAOYSA-N 286.350 3.635 30 20 CHED C[C@H](NC(=O)CC#Cc1ccccc1)c1c(F)cccc1F 1335304797 UZSPYKIWKGZNND-ZDUSSCGKSA-N 299.320 3.584 30 20 CHED C(=Nn1cnc2ccccc21)c1ccc(N2CCCC2)cc1 1337376817 NDHDGMDYNNYAJT-UHFFFAOYSA-N 290.370 3.519 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1nc2ccccc2s1 1339278766 GZDRPHFBRAUMOV-LBPRGKRZSA-N 286.400 3.867 30 20 CHED CS[C@H]1CC[C@@H](N(C)c2ncc(Cl)c(C)c2C#N)C1 1337635553 FOYIPNAABZTCOA-MNOVXSKESA-N 295.839 3.635 30 20 CHED CCC[C@@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 1336163377 MKJHUSODZCVTTF-IAGOWNOFSA-N 284.403 3.865 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cccc3ccsc23)C1 1344028673 BINRWMHQGFAHRK-PWSUYJOCSA-N 271.341 3.750 30 20 CHED C=C(CC)C(=O)Nc1ccc(F)cc1NC(C)C 1346076948 PLQOAGFBLPXTJH-UHFFFAOYSA-N 250.317 3.551 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2cccc(C)c2s1 1340891483 JCXCCZVTBRRJKW-ZDUSSCGKSA-N 286.400 3.974 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1cccc(F)n1)c1ccc(F)cc1 1342562832 RKVYVEKHLMLJCG-CFRMROPGSA-N 298.292 3.640 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc([C@@H]2CCOC2)cc1 1343440746 PLTQZFDWSHVQQP-UKRRQHHQSA-N 274.360 3.698 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1357696001 VPYGVNVRXOYAAA-SIXWZSSISA-N 296.414 3.811 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc2ccncc2s1 1435498724 ZMLHFCQBNGOETH-UHFFFAOYSA-N 293.351 3.729 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC[C@@H]1CCCC[C@@H]1C 1360500725 QDAHORRWBZNRHV-ZFWWWQNUSA-N 284.403 3.813 30 20 CHED Cc1ccc2c(CCC(=O)O[C@H]3CC[C@H](C#N)C3)c[nH]c2c1 1516749056 HGNKDXCQLAJPRF-ZFWWWQNUSA-N 296.370 3.644 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)[C@@H](CC#N)c1ccccc1 1517972825 YKJHBYWNOMBYDA-HOTGVXAUSA-N 284.403 3.769 30 20 CHED C[C@@H](OC(=O)[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 1518213399 QYMYWSGCHHLHJW-IOASZLSFSA-N 271.360 3.989 30 20 CHED COc1ccc([C@H](C)COc2ccc(C#N)cc2)cc1 1458820459 XCAWIULWMIWICT-CYBMUJFWSA-N 267.328 3.749 30 20 CHED CC[C@@H](CC(=O)Nc1cc(C#N)ccc1F)C(C)C 1528040105 BQSQRZUMQJTDCJ-LBPRGKRZSA-N 262.328 3.708 30 20 CHED C=C[C@@H](Nc1ccc(SC2CCCC2)cc1)C(=O)O 1602820891 PVOBVLKKGGSKTA-CQSZACIVSA-N 277.389 3.772 30 20 CHED N#Cc1cc(NCc2cccc(C(=O)O)c2)ccc1C1CC1 1608197763 QMRZEINSMMVJAR-UHFFFAOYSA-N 292.338 3.746 30 20 CHED N#Cc1c(N[C@H]2CC[C@@H](CC(=O)O)C2)cccc1C(F)F 1601084265 QJQBWDZXPLKQIV-ZJUUUORDSA-N 294.301 3.551 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)s1)c1ccc(F)cc1 1536554931 VYWMHLUBZICOEA-CYBMUJFWSA-N 288.347 3.640 30 20 CHED CC[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(F)cc1 1536554109 GVRRTLXXRSMTLD-QGZVFWFLSA-N 296.345 3.773 30 20 CHED Cc1ccccc1[C@H](Sc1ccc(C#N)cc1)C(=O)O 1600573184 IBOXWQKIJPXKNH-HNNXBMFYSA-N 283.352 3.785 30 20 CHED C[C@H](c1cc(Cl)ccc1Cl)N1CC(C)(C#N)C1 1473434087 KTFVRWFDRAFDFO-SECBINFHSA-N 269.175 3.900 30 20 CHED CC1(C)C[C@@]1(NC(=O)c1csc(C#N)c1)c1ccccc1 1533646746 NRKXYZQPSSHEHW-QGZVFWFLSA-N 296.395 3.675 30 20 CHED N#Cc1ccc(Oc2c(Br)cccc2C#N)cc1 1642008505 JJJKDGWBISGGPO-UHFFFAOYSA-N 299.127 3.985 30 20 CHED CC(C)(C)CCNN=C1CCC[C@H](CCCC(=O)O)C1 1589776715 CQUUGFJIDOZZKL-CYBMUJFWSA-N 282.428 3.813 30 20 CHED Cc1cc(C)c(/C=C/CN(CCC#N)CCC#N)cc1C 1658668908 NRCZRKXGPIBKRY-QPJJXVBHSA-N 281.403 3.754 30 20 CHED C=CC[C@@H]1CC[C@H](N[C@@H]2C[C@H](C(=O)O)c3ccccc32)C1 1588457971 NOVDNHFJFZVQFT-OSRSDYAFSA-N 285.387 3.634 30 20 CHED CC1(C)CCN(Cc2cccc(C#N)n2)c2ccccc21 1664892085 QHTZRWSIKBHBAN-UHFFFAOYSA-N 277.371 3.641 30 20 CHED CCCCCCCC(=O)Oc1ccc(C(=O)O)cc1OC 1595705001 NJLJRARLLLHBEN-UHFFFAOYSA-N 294.347 3.659 30 20 CHED C[C@@H]1/C(=C\c2ccc(F)c(C(=O)O)c2)C(=O)c2ccccc21 1777408074 XNYXBLBQZNIYCV-CEITULEQSA-N 296.297 3.907 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc(/C=C/C(=O)O)o1 1776056614 DRNZVRGOOURXRG-LNXNABGQSA-N 298.342 3.694 30 20 CHED C[C@@H](ON=Cc1csc(C(=O)O)c1)c1ccccc1 1776083175 QCXWIKPSAOVPOF-SNVBAGLBSA-N 275.329 3.558 30 20 CHED Clc1cccc(C=NNc2cnc3ccccc3n2)c1 5777687 YMNDPAHNIGZWHM-UHFFFAOYSA-N 282.734 3.729 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 161469315 HCLBOKFVOZVOEH-SMDDNHRTSA-N 285.297 3.508 30 20 CHED COc1cccc2c1CC/C(=C\c1cccs1)C2=O 165478321 NROKRUIJVFZDEI-ZHACJKMWSA-N 270.353 3.969 30 20 CHED C=CCN(CC=C)C(=O)c1cncc(-c2ccc(C)cc2)c1 160880902 IYBHTXVQZBKBFX-UHFFFAOYSA-N 292.382 3.871 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1 163035338 HFPSWCKTGLMMTG-INIZCTEOSA-N 270.376 3.599 30 20 CHED CC(C)(C#N)CCCNc1cccc(C(=O)N2CCCC2)c1 153051604 RNLFGYNFXQKETF-UHFFFAOYSA-N 299.418 3.664 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)C[C@H](C)CC)CC1 153016636 JZQZCNNWUKJBBG-HZPDHXFCSA-N 266.473 3.831 30 20 CHED N#C[C@@H](COC(=O)/C=C/c1ccccc1)Cc1cccs1 153342626 FOQMLTUWXOGIFX-HVHJFMEUSA-N 297.379 3.687 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 155852143 ZAUCRBNACBFMPV-MFKMUULPSA-N 285.309 3.890 30 20 CHED N#C[C@@H]1CCCN(Cc2csc(C3CCCCC3)n2)C1 932159853 RXTHMHFGKJTMTF-ZDUSSCGKSA-N 289.448 3.926 30 20 CHED Cc1cc(CNCC(C)(C)C2CCC2)ccc1C#N 1308409108 VNRHKKVHTLVDFT-UHFFFAOYSA-N 256.393 3.783 30 20 CHED CCOCCCCNc1ccc(Br)cc1C#N 272886411 WVKMLBQQEZTZJB-UHFFFAOYSA-N 297.196 3.549 30 20 CHED C[C@H](SCC(C)(C)C)C(=O)Nc1ccccc1C#N 281508944 SIHVNSDEVDBYSE-NSHDSACASA-N 276.405 3.665 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1 49519301 IULAZTXQCNTMEO-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1ccc(F)cc1C#N 343717548 GVKYFHQOZCZCHC-NSHDSACASA-N 286.375 3.878 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1ccccc1C#N 195205883 UPIUPGFUQPFBHO-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C=C[C@@H](C)N[C@@H]1CCCc2cc(Br)ccc21 309573295 OFHJCLOIBKENPE-QMTHXVAHSA-N 280.209 3.991 30 20 CHED Cc1ccc(C(=O)Nc2cccc(CC#N)c2)c(C)c1 313435573 ALIOTCMNBXIDOR-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CC(C)c1ccc([S@](=O)Cc2ccccc2C#N)cc1 84260498 ZTMWZFKECIGGAA-FQEVSTJZSA-N 283.396 3.989 30 20 CHED N#Cc1ccc(Cl)cc1N[C@H]1CCOC2(CCC2)C1 94373969 XMFLXSVLHMUOQX-ZDUSSCGKSA-N 276.767 3.725 30 20 CHED N#Cc1cccnc1Nc1cccc2ccsc12 386464729 SXMBLRAGFDPCOD-UHFFFAOYSA-N 251.314 3.912 30 20 CHED N#Cc1ccc(CNc2cncc3ccccc23)cc1 396537723 XYZGWPBAEMZRDK-UHFFFAOYSA-N 259.312 3.719 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(F)ccc2Cl)C1 397731830 LDISKBBSVGOUKW-LLVKDONJSA-N 266.747 3.605 30 20 CHED CCCCCCCCCN1C2CCC1(C(=O)O)CC2 1605266895 NUJIYLJTULHLOU-UHFFFAOYSA-N 267.413 3.819 30 20 CHED N#Cc1cccc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3)c1 3994337 QOLHBLXTCPSWBK-UHFFFAOYSA-N 288.350 3.989 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(OC)cc(C)n1 339831505 SRLUNTWHTCJLBD-UHFFFAOYSA-N 282.387 3.587 30 20 CHED C=C(C)CNC(=S)Nc1ccc(SC(F)F)cc1 7521859 KCNAJSXZWIVHNR-UHFFFAOYSA-N 288.388 3.864 30 20 CHED N#Cc1c(F)cccc1Nc1ccc(N2CCCC2=O)cc1 57797521 DSJAGZVYHKVDPR-UHFFFAOYSA-N 295.317 3.568 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CC(C)(C)C1CC1 410723816 IEDRIIJGGXQHQX-UHFFFAOYSA-N 264.413 3.744 30 20 CHED CCCCCCCCC(=O)N[C@H](C(=O)O)c1ccccc1 59218846 RGXBVJLMLQXLIN-INIZCTEOSA-N 291.391 3.679 30 20 CHED CC(C)(C)CCCC(=O)Nc1sccc1C#N 103358342 SUZYFUUYHLYHHQ-UHFFFAOYSA-N 250.367 3.775 30 20 CHED C=CCOc1ccc(C(=O)NCc2sccc2C)cc1 29238424 HJSWTFVFCQJUQM-UHFFFAOYSA-N 287.384 3.551 30 20 CHED CCCc1ncc(C(=O)Nc2cc(C#N)ccc2C)s1 172907147 JMNAOJSETANMJG-UHFFFAOYSA-N 285.372 3.528 30 20 CHED Cc1cccnc1[C@@H](NCc1ccc(C#N)cc1F)C(C)C 172350000 IDZSIIPVFHQPAQ-KRWDZBQOSA-N 297.377 3.888 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccsc2)cc1 178024525 ZCFYNDXOIQJYKA-ZDUSSCGKSA-N 271.385 3.611 30 20 CHED C=CCCCC(=O)Nc1ccc(NC(=O)NC(C)C)cc1 175210966 XQRWKOLJVVGFEV-UHFFFAOYSA-N 289.379 3.511 30 20 CHED C#CCCCNC(=O)C[C@H](C)c1ccccc1C(F)(F)F 172933049 SCCZOEOMNJMLBK-LBPRGKRZSA-N 297.320 3.729 30 20 CHED CCN(CCOc1ccccc1C#N)Cc1cccc(F)c1 60465320 GESQNJDBCOOVLM-UHFFFAOYSA-N 298.361 3.598 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cnn(C)c2C)cc1C 179850049 JRHRERWKFDBTAR-VOTSOKGWSA-N 268.360 3.550 30 20 CHED CCc1c(C)nc2ccccc2c1NC[C@@H](C)C#N 302036111 FOWFMCNSJAHUQM-NSHDSACASA-N 253.349 3.677 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 119126598 WWYDEOJPUIKSMN-VXGBXAGGSA-N 299.336 3.965 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1ccc(C#N)cc1 63469714 JKMSCVVKTUTGHG-UHFFFAOYSA-N 291.354 3.829 30 20 CHED C=C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 301874993 GMZAAFAMYJLVKZ-SNVBAGLBSA-N 264.325 3.759 30 20 CHED CCCN(CC#N)Cc1csc(-c2ccc(C)cc2)n1 173238444 PEKVWUYSOGFPHC-UHFFFAOYSA-N 285.416 3.854 30 20 CHED CCC[C@@H](NC(=O)NCCCCC#N)c1ccccc1 170886929 VHUXIWVVAVFNFO-OAHLLOKOSA-N 273.380 3.521 30 20 CHED CC(CCCCNC(=O)OC(C)(C)C)=NOC(C)(C)C 1343571681 JDFCUBPOIQRBMI-UHFFFAOYSA-N 286.416 3.872 30 20 CHED C=C(CC)C(=O)Nc1ccccc1NCC(F)(F)F 1346378584 XNMKTZNQSOMZQW-UHFFFAOYSA-N 272.270 3.566 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 174077624 HYRDYFCEINZYSL-OAHLLOKOSA-N 290.794 3.600 30 20 CHED Cc1cccc(CN(C)[C@@H](C#N)c2ccccc2)c1 1190437462 ZTGLPQUVNDHEFP-KRWDZBQOSA-N 250.345 3.692 30 20 CHED C[C@@H]1CN(C)c2ccccc2N(CCCC(C)(C)C#N)C1 174875425 XHRJGTYFIGKGLX-OAHLLOKOSA-N 285.435 3.909 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(F)nc1)c1ccccc1 179318140 POYUYOABMWSCSP-GFCCVEGCSA-N 270.307 3.519 30 20 CHED C=CCCCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 175171939 ZNRZIMSQPYLUAV-UHFFFAOYSA-N 296.754 3.563 30 20 CHED CC[C@H](C#N)Sc1nnc(CCC2CCCCC2)o1 127631210 IVFAQUKNUVEASO-GFCCVEGCSA-N 279.409 3.977 30 20 CHED N#Cc1cccc(C#N)c1NCCc1c(F)cccc1Cl 302775723 AHDZYSZBKVWTHC-UHFFFAOYSA-N 299.736 3.877 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1=CCCCC1 126752222 RFSVKOPVVKLNRC-UHFFFAOYSA-N 273.351 3.841 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2ccc(C#N)cc2)c1 125410279 ZDKIQAFWABKXMV-UHFFFAOYSA-N 278.355 3.532 30 20 CHED CCCOc1cccc(CCN[C@H]2CCC[C@@H](C#N)C2)c1 185869415 QQAIHMLALMHOLA-SJORKVTESA-N 286.419 3.690 30 20 CHED CCOc1cc(CNc2cc(C)cc(C#N)c2)ccc1OC 308102898 BCOPQQKQUTVLHL-UHFFFAOYSA-N 296.370 3.886 30 20 CHED N#Cc1cccc(Nc2ccc(OCC(F)(F)F)cc2)n1 301816411 DOLPXJNUQZUGRY-UHFFFAOYSA-N 293.248 3.638 30 20 CHED N#CCC[C@@H](NC(=O)Nc1ccsc1)c1ccccc1 121337929 MOYZVLPXJVZQER-CQSZACIVSA-N 285.372 3.915 30 20 CHED CC[C@@H](CC#N)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 184089766 OJEDBDQHQLXDKM-ZDUSSCGKSA-N 299.330 3.637 30 20 CHED CC(C)[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 79536663 HYADZEUKLTVWBE-HNNXBMFYSA-N 288.416 3.563 30 20 CHED CCCCS[C@H](C)C(=O)N[C@@H](C)c1cccc(C#N)c1 75267481 IGMRHGRRGLNJTG-QWHCGFSZSA-N 290.432 3.657 30 20 CHED CSc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 216800703 KGGQFROOWCKPNR-WTKPLQERSA-N 286.352 3.716 30 20 CHED CN(Cc1cc(F)ccc1C#N)CC1CCCCC1 229956960 MMSDJNAXCDEPST-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=CCC1(C(=O)NCCc2cc3ccccc3[nH]2)CCC1 189593912 XONKUZNPVHUPRZ-UHFFFAOYSA-N 282.387 3.573 30 20 CHED COc1cc(CNc2cc(C#N)ccc2C)ccc1C 428336624 RTKZAYFBDITQEQ-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CCC[C@H](NCc1ncc(CC)s1)C1CC1 121424616 SYFZITRVIMSZES-ZDUSSCGKSA-N 250.411 3.540 30 20 CHED COc1ccc(C#N)cc1CN[C@H](C)[C@@H](C)c1ccccc1 183370952 SRKCNOGUZZZUMU-HUUCEWRRSA-N 294.398 3.849 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)Nc1ccc(C#N)cn1 182406956 NBQKEMZVUZMOKO-CQSZACIVSA-N 293.370 3.551 30 20 CHED C=C(C)CN(CC)Cc1ccc(-n2nc(C)cc2C)cc1 216461537 MBODXZKHQIKHHX-UHFFFAOYSA-N 283.419 3.887 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccncc2)c1OC(F)F 182269710 FXNWQJBTESVZSF-AATRIKPKSA-N 289.281 3.888 30 20 CHED N#CCCSCc1cc(F)cc(Br)c1 413017214 YGHLZWZISPNKMK-UHFFFAOYSA-N 274.158 3.735 30 20 CHED C=C(Br)CN[C@H](CC)c1ccccc1OC 125141223 RVHREJRVCKWDPG-GFCCVEGCSA-N 284.197 3.645 30 20 CHED C[C@@H](C#N)N(C)C(=O)CC1CCC(c2ccccc2)CC1 410882898 KPHGKXJAKJSHRO-UQPPLGOBSA-N 284.403 3.721 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(F)cc(Cl)c1 410138176 DBSSGKPMQQLRAP-GFCCVEGCSA-N 255.720 3.564 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1c1ncc(C#N)cc1F 413181026 JJIGPLOATAKURC-CJNGLKHVSA-N 295.361 3.550 30 20 CHED C=CCn1c(SCCCn2ccnc2)nc2ccccc21 185392073 PUEOIAUFXKVKDY-UHFFFAOYSA-N 298.415 3.601 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccccc1CC#N 410827815 LZPQGAKUSSIGOL-ZDUSSCGKSA-N 258.365 3.763 30 20 CHED C=CCSCCNC(=O)[C@H](C)Cc1ccccc1Cl 133572260 QRTNYZIUIDKTGT-GFCCVEGCSA-N 297.851 3.554 30 20 CHED CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CCCCC1 47052512 WKMVNVAKVPCQPL-CQSZACIVSA-N 299.418 3.983 30 20 CHED CC(C)C[C@@H](NCC#N)c1cccc(C(F)(F)F)c1 181871615 SLIYMCUBPYYASV-CYBMUJFWSA-N 270.298 3.906 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 188055400 RQLDHPXRWGUXAY-CYBMUJFWSA-N 270.332 3.634 30 20 CHED C#Cc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 130431527 BNNFSNBHVMGCGA-AWEZNQCLSA-N 276.339 3.571 30 20 CHED C=C[C@H](C)N[C@@H](CC)CSc1ccccc1[N+](=O)[O-] 504912574 XUOXWKKMSHSJDX-RYUDHWBXSA-N 280.393 3.630 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)c1cccc(Cl)c1 1349905945 GYXYEXZLVBOOEE-SMDDNHRTSA-N 278.783 3.594 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OCC2CC2)cc1 410136514 WAOWJJJMJTVZIE-HNNXBMFYSA-N 273.376 3.560 30 20 CHED C=C(C)CSc1nnc(-c2ccccc2)n1CC 47819663 OIXAMVBAIVDOFI-UHFFFAOYSA-N 259.378 3.633 30 20 CHED C=C(C)CCc1noc([C@H](C)OCc2ccccc2)n1 508617319 GUOBZIGXUBAHKL-ZDUSSCGKSA-N 272.348 3.856 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)c1ccccc1Cl 505029748 INCCEUARAJZIGF-UHFFFAOYSA-N 298.773 3.807 30 20 CHED Cc1ccccc1/C=C1/COc2c(F)cc(F)cc2C1=O 195651273 NHKMXDJPUCOMGS-SDQBBNPISA-N 286.277 3.932 30 20 CHED CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1/N=C(/O)C1CCC(=O)CC1 329118461 OMDQFHMQHDHADM-GLQYFDAESA-N 295.423 3.542 30 20 CHED Cc1ccc([C@H](C)NCc2ccccc2C#N)s1 49183530 FSEMQFKEBOBHIE-LBPRGKRZSA-N 256.374 3.779 30 20 CHED COc1cc(C(=O)/C=C/c2ccc(F)cc2F)ccc1O 41106841 PQVRNZWRKXSHTG-ZZXKWVIFSA-N 290.265 3.575 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(c2cccc(F)c2)CC1 424686240 PVZJRWULDVJFSH-UHFFFAOYSA-N 275.367 3.576 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc(N3CCCCC3=O)c2)C1 193083571 SXCOXKVNTAZBQC-LSDHHAIUSA-N 297.402 3.698 30 20 CHED C=CCNC(=O)CCCc1ccc(Cl)c(Cl)c1 48201321 DLSNXRAPFBBQKR-UHFFFAOYSA-N 272.175 3.618 30 20 CHED OC(C[C@H]1CCCCO1)=Nc1cnc2c(c1)CCCC2 329421682 DWEOUMMJYRCALL-CQSZACIVSA-N 274.364 3.508 30 20 CHED C[C@@H](C#N)CN(C)C(=O)NC1CCC(c2ccccc2)CC1 46023448 OMHURNVHFIYQPE-OOHWJJMZSA-N 299.418 3.514 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)C1 424316724 BFHBFMZVIRQHEU-IJEWVQPXSA-N 282.387 3.715 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H]1c1cccc(F)c1 131213394 HJQSPPMHOPDJSJ-OAHLLOKOSA-N 260.356 3.902 30 20 CHED Cc1cccc(C)c1OC[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 192728978 IZCVGTZEUUHLDE-YESZJQIVSA-N 286.419 3.743 30 20 CHED C#CCCCC(=O)NC1(c2cccc(C)c2)CCCC1 192260376 KHGIBCAGELVMLA-UHFFFAOYSA-N 269.388 3.684 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H]2CCCF)s1 421874871 IQIIQYGCCZCUEF-FZMZJTMJSA-N 266.385 3.628 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 429091388 FFGXHLUYTUNUJJ-IUCAKERBSA-N 287.190 3.928 30 20 CHED CC[C@H]1OCCC[C@@H]1C(O)=Nc1cccc2ocnc12 328861294 APWVBYWTFRDWKX-CMPLNLGQSA-N 274.320 3.621 30 20 CHED C=C[C@@](C)(CC)C(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 135116959 PYTSXPFKYASUAD-NOLJZWGESA-N 293.432 3.639 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C=C(C1CC1)C1CC1 49520739 JQALHGIBJLRSFG-UHFFFAOYSA-N 266.344 3.552 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cnc(-c3ccsc3)s2)C1 424199242 QHZXHTDFTUATGX-PWSUYJOCSA-N 289.429 3.653 30 20 CHED C=CCCCCCN(C)c1nnc(C2CCC2)n1CC 338556245 FQFLZQPDROMILM-UHFFFAOYSA-N 276.428 3.748 30 20 CHED CCSCC[C@H](C)N(C)c1nccc(C#N)c1Cl 429195485 BSNFIHHHESBFOB-JTQLQIEISA-N 283.828 3.575 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425134041 UCJYZEGHXNJSBJ-FMKPAKJESA-N 284.403 3.904 30 20 CHED CC(C)(C#N)CCCOc1cccc2c1CCC2=O 87598935 BBWDEOZBFOQBBN-UHFFFAOYSA-N 257.333 3.524 30 20 CHED Cc1cc(Br)cc(N[C@H]2CC[C@@H](C#N)C2)c1 381604489 PLUNKSJOWAXVRG-PWSUYJOCSA-N 279.181 3.862 30 20 CHED CC1(C)C[C@H](N[C@@H]2CCC[C@H](C#N)C2)c2cc(N)ccc2O1 332205683 HCWBROHVPAEZGA-BJJXKVORSA-N 299.418 3.543 30 20 CHED Cc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)cc1 424323746 JJBCICLZYFTNSW-IAOVAPTHSA-N 254.377 3.728 30 20 CHED CC(C)[C@H](C)NC(=O)CS[C@@H](C)c1cccc(C#N)c1 190887688 VFRUYJVFMJVYAK-STQMWFEESA-N 290.432 3.513 30 20 CHED Cc1cnc(N=C(O)[C@]2(C)CCc3ccccc3C2)[nH]1 330319936 DRQNJCLLWFYQCH-MRXNPFEDSA-N 269.348 3.501 30 20 CHED CC1(C)CCCc2cc(C#N)c(NCCC(F)(F)F)nc21 428176150 LBNOKDDLXOWVFQ-UHFFFAOYSA-N 297.324 3.931 30 20 CHED CC(C)C[C@@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 93338486 CRXODUFAHOUEQZ-RDJZCZTQSA-N 286.419 3.845 30 20 CHED COc1ccc(CN(CCC#N)CC2CC2)c2ccccc12 93091592 VCCXZWRNPGVWJP-UHFFFAOYSA-N 294.398 3.974 30 20 CHED CCC(O)(CC)CC/N=C(/O)N1CC=C(C(C)(C)C)CC1 331021700 YPHXXWZJMVPTAK-UHFFFAOYSA-N 296.455 3.520 30 20 CHED N#C[C@@H](NC(=O)CC1CCCCCC1)c1ccc(F)cc1 332024078 RAYWHDIFMPDGGL-MRXNPFEDSA-N 288.366 3.867 30 20 CHED CC1(C#N)CCC(N[C@H]2CCCN(c3ccccc3)C2)CC1 336209871 JBHLXVFISVRGPS-HFCFLWKCSA-N 297.446 3.717 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2cscc2s1 528598016 PGIBKTFYFQBIKR-QMMMGPOBSA-N 251.376 3.657 30 20 CHED C=CC[C@@H](C)[C@H](C)NCCc1ccc(F)c(F)c1 527042106 RYYOXDIPGIBMHF-NEPJUHHUSA-N 253.336 3.698 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F 248755269 GDCCPFGAONQANF-LOWVWBTDSA-N 264.319 3.698 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1ccc(F)c(Cl)c1 602636010 HDONWQPJVNUKTA-NSHDSACASA-N 268.763 3.851 30 20 CHED COCCN(CCCCC(C)(C)C#N)C1CCCC1 618275878 GTLXMFIFIMASQM-UHFFFAOYSA-N 266.429 3.597 30 20 CHED Cc1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1F 602506323 NQMPFJIXFCPVDZ-ZDUSSCGKSA-N 276.355 3.645 30 20 CHED CSc1ccccc1CN(C)C[C@@H](C)CCC#N 602652151 WPUBURXBJCAKPK-ZDUSSCGKSA-N 262.422 3.780 30 20 CHED C=CCOCCCC(=O)N1C[C@H](C(C)C)c2ccccc21 347594238 SBRDOEJBMWWFFS-MRXNPFEDSA-N 287.403 3.756 30 20 CHED C=CCCCN1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 440545701 KWSXJIQUCAJMNX-VYDXJSESSA-N 263.425 3.622 30 20 CHED COc1ccc(N=Cc2cc3ccccc3nc2O)cc1 254814155 AKSYTQMXZPZDKH-UHFFFAOYSA-N 278.311 3.700 30 20 CHED CSc1ccc(C=NNc2ccc(C(=O)O)cc2)cc1 606347257 XUGZUZBJSJRMDL-UHFFFAOYSA-N 286.356 3.553 30 20 CHED C=CC(C)(C)C(=O)NCc1csc2ccccc12 448716834 LSYBTPMZUJTFBH-UHFFFAOYSA-N 259.374 3.730 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cn(C)nc1C(C)(C)C 255127342 UIQQTKWXFUVWCS-SREVYHEPSA-N 272.348 3.515 30 20 CHED C=CCOCCCC(=O)N(C)[C@H]1CCCc2ccccc21 608107546 YDRZSTYXNHOZHG-KRWDZBQOSA-N 287.403 3.505 30 20 CHED C=CC1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 532965562 ATBYNADCTYPZIL-LBPRGKRZSA-N 292.810 3.565 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cccc2cc[nH]c12 353113177 OVTNCYOVYAVFHM-UHFFFAOYSA-N 294.354 3.632 30 20 CHED C=CCCNc1ccc(Oc2ccnc(C#N)c2)cc1 357276422 INKMVPPTMUERMJ-UHFFFAOYSA-N 265.316 3.734 30 20 CHED C=CCCCC(=O)N[C@@H]1CCOc2c(CC)cccc21 267120941 DFTVDKWAEWXAIF-OAHLLOKOSA-N 273.376 3.545 30 20 CHED CC1(C#N)CCC(NCCOc2cccc(Cl)c2)CC1 449083528 CANUWHJONSKDEW-UHFFFAOYSA-N 292.810 3.781 30 20 CHED N#CCCN[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 449285776 FVMHSODBIVTBJP-ZFWWWQNUSA-N 262.784 3.554 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1ccc(Cl)c(Cl)c1 598211022 YGCPHTCYFLRMIT-CYBMUJFWSA-N 285.174 3.549 30 20 CHED CCc1ccc([C@@H](COC)NC2CCC(C)(C#N)CC2)o1 449152526 GFQMVTKONYAGIO-GNHJJJEISA-N 290.407 3.592 30 20 CHED CC[C@H](C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 264329694 JZWMPTNLWASSJS-GZMMTYOYSA-N 285.174 3.720 30 20 CHED CC[C@H](F)CSc1nc(C(F)(F)F)ccc1C#N 440590214 JUQHWIIYJNHTNG-QMMMGPOBSA-N 278.274 3.812 30 20 CHED C[C@H]1C[C@@H](C)CCN(C(=O)c2cc(C#N)ccc2Cl)C1 354344493 VAGBVZFRHGHSIT-RYUDHWBXSA-N 290.794 3.720 30 20 CHED C[C@@H](SCC1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 359161857 OZHOTKFODKSARD-SECBINFHSA-N 294.807 3.682 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnc([C@H](C)CC)nc1 358153347 PXHHASUPNRSJNE-ABAIWWIYSA-N 261.369 3.531 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(OC)c(C(C)C)c(OC)c1 358199914 SFTHNMXJMBNWSI-GFCCVEGCSA-N 291.391 3.522 30 20 CHED CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(C#N)cc1 352804625 MDCFMTQDRJYEGM-UHFFFAOYSA-N 298.317 3.737 30 20 CHED C=CCCSc1nnc(SCCC=C)s1 265699537 JOVZCEHDOBMGPC-UHFFFAOYSA-N 258.437 3.875 30 20 CHED N#CC[C@@H](CC(=O)Nc1ccc(Cl)cn1)c1ccccc1 354783017 BRKKNBCPPQHMOU-ZDUSSCGKSA-N 299.761 3.761 30 20 CHED N#CC1(CSCCCCC2CCOCC2)CC1 358485595 OXAOBIUURLYDFW-UHFFFAOYSA-N 253.411 3.620 30 20 CHED CC(C)(C)[C@H](NCC1(C#N)CC1)c1ccc(F)cc1 537248681 LTHOFLQSRUGJGO-CQSZACIVSA-N 260.356 3.806 30 20 CHED Cc1ccc(CCC(=O)N(C)Cc2ccc(C#N)cc2)s1 352616934 ZADZYENYLAPXLI-UHFFFAOYSA-N 298.411 3.519 30 20 CHED C[C@H]1CC(NC(=O)Nc2ccc(F)c(C#N)c2)C[C@H](C)C1 353397806 KBTXPCCCWABMGJ-GHMZBOCLSA-N 289.354 3.644 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccccc1C)C1CC1 264828884 HXRPUTJYTDWQSV-WMLDXEAASA-N 287.403 3.544 30 20 CHED C=CCC1(NC(=O)[C@@H](C)n2cnc3ccccc32)CCCC1 619114786 NNXKZFXLFBWCAZ-CQSZACIVSA-N 297.402 3.602 30 20 CHED CC(C)N(Cc1ccc(OCC#N)cc1)C1CCCC1 264593489 ZQUMLOFIDPYCPC-UHFFFAOYSA-N 272.392 3.742 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2ccco2)C1 614962682 CFBQBLCTFJKYFB-CZUORRHYSA-N 266.344 3.702 30 20 CHED C=C1CCN(C(=O)c2oc3ccccc3c2C)CC1 264219268 XTCOESIRWKHIMA-UHFFFAOYSA-N 255.317 3.533 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1N[C@H]1CCc2cc(C#N)ccc21 618806892 SICHJRYYHRDNBW-OAUYIBNBSA-N 268.404 3.960 30 20 CHED CC1(C)CCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 531087175 HHWDHZOGRSVZSY-UHFFFAOYSA-N 289.378 3.711 30 20 CHED CCC1(CC)[C@H](N[C@H](C)c2ccc(C#N)cc2)C[C@H]1OC 538397968 HOILUFREVWUEPK-KBRIMQKVSA-N 286.419 3.803 30 20 CHED C=CCCN1CC=C(c2ccc(OCC)cc2)CC1 536638704 QWWQAMHKPFNREZ-UHFFFAOYSA-N 257.377 3.751 30 20 CHED CCCCOc1ccccc1CNCC(C)(C)C#N 613540373 PQDFPMTZVCMOLV-UHFFFAOYSA-N 260.381 3.505 30 20 CHED C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C1CC1 360661485 AWFGXXAYAZEFST-SJKOYZFVSA-N 254.377 3.714 30 20 CHED C=CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)C1CC1 271540725 PHCUYWXFDIEBJL-UHFFFAOYSA-N 297.320 3.972 30 20 CHED CN(C)c1cccc(CSc2ccc(C#N)cc2)c1 610218122 YEARMOXJUFAVCP-UHFFFAOYSA-N 268.385 3.917 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H]1c1ccsc1)OCC 270070984 XPBQBYKKFKVFCJ-GJZGRUSLSA-N 293.432 3.783 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 540702308 RLKCJLBYCASCSJ-CYBMUJFWSA-N 268.335 3.857 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)C1 612367364 FKDLTQWXRJKJQL-VYDXJSESSA-N 291.439 3.536 30 20 CHED CC(C)(C#N)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 273826728 YNPRXCQHFUMKRW-UHFFFAOYSA-N 296.157 3.768 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 454521068 JDNCUFNAYNSLST-CZUORRHYSA-N 290.382 3.945 30 20 CHED C=C(C)[C@@H](CC(=O)N(C1CC1)[C@@H](C)c1ccco1)OCC 270043689 KKDREWKXAVQKSK-XJKSGUPXSA-N 291.391 3.703 30 20 CHED C=CCCC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 365870465 MUDZSGQDUVIBOL-GOEBONIOSA-N 257.377 3.666 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 451512441 SVCSOHFSEUPDPH-MRXNPFEDSA-N 295.785 3.949 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(Cl)n1 272227607 DCKXYBNMRCYOKF-UHFFFAOYSA-N 276.767 3.559 30 20 CHED C=CCC(C)(C)c1noc(CC2CC(F)(F)C2)n1 453191121 WJLNYEFJAPSYQZ-UHFFFAOYSA-N 256.296 3.511 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC(C)(C(C)C)CC1 549272905 QDDBIIMTVRNJJO-UHFFFAOYSA-N 290.455 3.679 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(CCC(C)C)c1C 540532061 IUAXBJPLXIRWGQ-AWEZNQCLSA-N 291.439 3.712 30 20 CHED C=CC[C@@H]1N(C[C@@H]2C[C@H]3CC[C@H]2O3)CCCC1(C)C 450863131 GLCXLLHEQJPNLE-JJXSEGSLSA-N 263.425 3.621 30 20 CHED C=CCC1(CNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)CCCC1 456516425 YVXDNUIXXCFULG-KKUMJFAQSA-N 261.409 3.675 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2ccncc2s1 620864570 HZCACCMIWHWIJA-UHFFFAOYSA-N 274.389 3.771 30 20 CHED Cc1cc(CCN[C@@H]2CCC[C@@H](C#N)C2)ccc1Cl 462802936 IZIWBXFJTBCYCW-HUUCEWRRSA-N 276.811 3.863 30 20 CHED CC(C)C[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 466745700 XBDLFQZWQSCCDA-HOCLYGCPSA-N 256.393 3.987 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1Cl)OCC 270140704 RMAGWWNTCKXRSH-CYBMUJFWSA-N 267.756 3.650 30 20 CHED Cc1ccnc(N[C@@H](c2ccccc2)[C@H]2CCCO2)c1C#N 273384844 UCHRGPNXJYEAEN-SJORKVTESA-N 293.370 3.594 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F 468012617 WWBMRWHVBFFELQ-OWRWGESLSA-N 279.330 3.539 30 20 CHED C=CCN[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F 543870634 IOBVQRIMYKIXHM-JTQLQIEISA-N 299.214 3.964 30 20 CHED C=CCC(CC=C)C(=O)N(C)CCOc1cccc(C)c1 467743790 QLGUVONHEVODQB-UHFFFAOYSA-N 287.403 3.601 30 20 CHED C=CCCN(C)Cc1cnc(-c2ccccc2)s1 467295712 TWGCEQFBCWPXSP-UHFFFAOYSA-N 258.390 3.818 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1cc2ccccc2s1 465224691 KFVAIEUKFJQBRI-WDEREUQCSA-N 274.389 3.836 30 20 CHED C=C(CNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)c1ccccc1 627285157 UQLXPDQOBFVMHI-QILLFSRXSA-N 269.388 3.642 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2cc[nH]c2C2CC2)cc1 284672709 ZGHYIBVEVUUDHW-UHFFFAOYSA-N 293.370 3.946 30 20 CHED Cc1cc(NC(=O)NCCCCC#N)cc(C)c1Cl 282967398 JBSAMQAGIQSSFQ-UHFFFAOYSA-N 279.771 3.772 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cccc(F)c1F 280968856 ZWXKGOLZUPFKTG-WQGACYEGSA-N 281.346 3.597 30 20 CHED C=CC[C@H](CC)N[C@H]1CCC[C@@H](CCCC(=O)OC)C1 551176074 TUWVTBZQOKLRDD-JYJNAYRXSA-N 281.440 3.833 30 20 CHED Oc1nc2ccccc2cc1/C=N/[C@H](C1CC1)C(F)(F)F 287317637 VBMJOKRAQUDNQS-KMDAILJESA-N 294.276 3.700 30 20 CHED CC[C@H](Nc1ccc(C#N)nc1)c1ccc(OC)c(OC)c1 286403288 PSCOUJJCNPUCGZ-HNNXBMFYSA-N 297.358 3.534 30 20 CHED Cc1cc2ncn(CCCC3(C#N)CCOCC3)c2cc1C 281268670 HWVWVXDFKYJKNY-UHFFFAOYSA-N 297.402 3.754 30 20 CHED CC(C)(C#N)CCNc1ccc(F)cc1OC(F)F 288805991 ZSOMXIGSXUJOOV-UHFFFAOYSA-N 272.270 3.779 30 20 CHED CCN(C(=O)CSCCC(C)(C)C#N)c1ccccc1 289361114 IGLPLGUZKYIFBS-UHFFFAOYSA-N 290.432 3.713 30 20 CHED CCCCCCCCN[C@@H](c1cccnc1)c1ncc[nH]1 280132216 PBQZWORPYDJFQJ-INIZCTEOSA-N 286.423 3.844 30 20 CHED C[C@H](C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(C#N)c1 462149292 CSFOFEWBAFLROS-MORSLUCNSA-N 296.414 3.747 30 20 CHED C=CCN(CC=C)C(=O)C(C)(C)c1ccc(CC)cc1 463256331 DWCRPJCEEMVORW-UHFFFAOYSA-N 271.404 3.727 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1N=c1[nH]ccc(C#N)c1Cl 553145381 VHNDWPMSBTXRGX-BZNIZROVSA-N 297.789 3.764 30 20 CHED CN(CC[C@@H]1CCCCN1C)c1cc(Cl)ccc1C#N 463069737 MCNKCEAVIWSZAY-HNNXBMFYSA-N 291.826 3.522 30 20 CHED N#Cc1cnc2ccccc2c1N1C[C@H]2CCC[C@@H](C2)C1 384984310 KFVMPFDPDOEHAG-KBPBESRZSA-N 277.371 3.733 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3cc(C)nc(C#N)c3)C2)cc1 557673098 CRHZUAYVMHIMOT-NVXWUHKLSA-N 291.398 3.953 30 20 CHED COc1ccc(C[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)cc1 559105870 ITCKYVRSUMLDOI-BZSNNMDCSA-N 298.430 3.642 30 20 CHED C=C[C@H](CC(=O)NCC(C)(C)COCC)c1ccccc1 558120922 AIERKASZUJIVHO-OAHLLOKOSA-N 289.419 3.525 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1ccc2nc(O)oc2c1 631737543 QRCNUYOVOLAQFF-GHMZBOCLSA-N 260.337 3.539 30 20 CHED CC(C)n1cc(C=NNc2cc(Cl)cc(Cl)c2)nn1 807985036 ZCTCPMOFZPPXTR-UHFFFAOYSA-N 298.177 3.612 30 20 CHED N#CCCOCCN1CCCCC[C@H]1/C=C\c1ccccc1 559110438 MQMIEJZRMAQYLV-JZHDPFOFSA-N 298.430 3.875 30 20 CHED CCC/C(C)=C\C(=O)Nc1cc(C#N)c2ccccc2n1 809078793 TXWCAWGRYJWNHM-XFXZXTDPSA-N 279.343 3.791 30 20 CHED CCC[C@H](C)c1noc(-c2ccccc2OCC#N)n1 809360426 YFKSOQNFVUYNCT-NSHDSACASA-N 271.320 3.543 30 20 CHED CCC1(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)CCCC1 471947246 DTNAAVVKYKVVNX-CQSZACIVSA-N 299.418 3.889 30 20 CHED N#CCCCCNC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 296295451 JASGFCLTINXBSZ-IRXDYDNUSA-N 299.418 3.563 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C1CC1)C(F)(F)F)c1ccccc1 290189826 SZPLCYLPQNJHEM-KBPBESRZSA-N 297.320 3.803 30 20 CHED C=CCC[C@@H](CC)NC[C@@](C)(CO)Cc1ccccc1 477844038 HUSBMJJQXKXKTC-MSOLQXFVSA-N 275.436 3.562 30 20 CHED CCOCCON=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2 807986096 RJKDJZBBAINPJZ-CALCHBBNSA-N 287.403 3.611 30 20 CHED C#Cc1cc(F)c(NCc2ccc3c(c2)COC3)c(F)c1 802745134 XTILTWQOJAUVDD-UHFFFAOYSA-N 285.293 3.588 30 20 CHED C=CCN(CCC#N)C(=O)CCCCC(C)(C)C 292577821 YJSYCHOONYOOED-UHFFFAOYSA-N 250.386 3.521 30 20 CHED CCC[C@@H](OC)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297934067 ZGHUJWIYEIDXOU-LLVKDONJSA-N 294.420 3.671 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC1(F)F 294485534 DPXATDUVRSXMOD-UWVGGRQHSA-N 296.342 3.675 30 20 CHED C=CCCCCCCNCc1c(C)nc2sc(C)nn12 808419122 MGPWJBXBHDKBRT-UHFFFAOYSA-N 292.452 3.634 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H](C)c1ccccc1OC 294085504 COSPJQIDGXMVGZ-CQSZACIVSA-N 289.419 3.907 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 291622502 ALGAEKBCGLRMDB-CYBMUJFWSA-N 282.727 3.789 30 20 CHED CCc1c(Nc2ncccc2C#N)cnn1C(CC)CC 477688408 ALCUOGISLHBQEE-UHFFFAOYSA-N 283.379 3.817 30 20 CHED N#CCCCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 290872883 BDBMYUDOHVDJMP-UHFFFAOYSA-N 295.386 3.568 30 20 CHED N#C[C@]1(C(=O)Oc2ccc(Cl)c(F)c2)CC12CCCC2 297908080 SYVLSHHAHLUHAD-HNNXBMFYSA-N 293.725 3.859 30 20 CHED CC[C@H](C)CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 479937837 DKOQVJQCILBFED-HNNXBMFYSA-N 286.419 3.979 30 20 CHED C=CCOCCCN1CCCC[C@@H]1c1ccccc1 470780301 RIMULMLARIWTIZ-QGZVFWFLSA-N 259.393 3.806 30 20 CHED Fc1ccc(C2CC(=NNCC3CCCC3)C2)cc1 808005566 HKJFRHMHHMHYPN-UHFFFAOYSA-N 260.356 3.839 30 20 CHED CCOC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCCC1 293700099 LYJQUHALVYJYSG-CYBMUJFWSA-N 290.382 3.697 30 20 CHED C[C@H](C#N)OCCSCc1cc2ccccc2o1 802751565 KBWFQBRWVFMCDK-LLVKDONJSA-N 261.346 3.595 30 20 CHED C=CCOc1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)cc1 647499599 YJNCKLZOFXQQFY-IAGOWNOFSA-N 299.414 3.902 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1oc2ccccc2c1CC 563721321 DJNOYEHKFVFVDC-KGLIPLIRSA-N 287.403 3.830 30 20 CHED C=C(C)CN1CCC(C(=O)c2ccc(C)cc2C)CC1 642190713 ARBDURWIDWOHLJ-UHFFFAOYSA-N 271.404 3.774 30 20 CHED C=CCN(CCC#N)C(=O)/C=C\c1ccc(C(C)(C)C)cc1 814134132 BDFOWHJKMZPUCZ-XFXZXTDPSA-N 296.414 3.926 30 20 CHED Cc1ccc2ccccc2c1CN1CCC(C#N)CC1 483422734 RKNOQMNEMADYGM-UHFFFAOYSA-N 264.372 3.884 30 20 CHED N#Cc1c(F)cccc1SCc1nnc(C2CC2)s1 566497870 MZWPSYTWVDJTTR-UHFFFAOYSA-N 291.376 3.719 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H](C)c1ccc(CC)cc1 561018371 CZDVMRLISCXEPK-HNNXBMFYSA-N 284.403 3.671 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1cccc2ccccc12 565909617 MRVMUXWDBMSUER-AWEZNQCLSA-N 287.366 3.957 30 20 CHED C#CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 810228923 OACIQHHEKIHLRY-WOJBJXKFSA-N 286.378 3.900 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccccc1OC(F)F 815313264 BEDFPFMWSHROEP-UHFFFAOYSA-N 292.228 3.543 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(-c2nc(C)co2)c1 815789917 RJEWILACXJZLOV-UHFFFAOYSA-N 292.285 3.800 30 20 CHED N#CCC[C@@H](C#N)CNc1cccc(OC2CCCC2)c1 574935266 LUFWILRVFVNRAD-AWEZNQCLSA-N 283.375 3.863 30 20 CHED CC(CCCO)=NNc1ccc(Cl)c(Cl)c1 814796661 KHCVBWUDVKBATP-UHFFFAOYSA-N 261.152 3.554 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)[C@@H](C)c1ccccc1 487800469 QZNDPQLDLGAARH-NEPJUHHUSA-N 284.384 3.542 30 20 CHED CCCCc1ccc(N(C)C(=O)c2ccc(C#N)o2)cc1 815749061 RMOUSQSISBPSGJ-UHFFFAOYSA-N 282.343 3.770 30 20 CHED COc1cccc(/C=C2/Cc3ccc(C#N)cc3C2=O)c1F 811695390 FMJHAYKJSSPPGQ-ZROIWOOFSA-N 293.297 3.528 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1 483642681 WFTZEQNLWHGVNL-GOEBONIOSA-N 270.376 3.737 30 20 CHED CC[C@H](NC[C@H](C(C)C)N1CCCC1)c1ccc(C#N)cc1 579915764 QTSMCMDIXKDCBS-RBUKOAKNSA-N 299.462 3.719 30 20 CHED CC(C)OCCON=Cc1ccc(CSC(F)F)o1 812238756 FFABHHUOVVBTPD-UHFFFAOYSA-N 293.335 3.511 30 20 CHED CC#CCCNC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 483422951 YLTRFCQKXAHDIA-AWEZNQCLSA-N 298.386 3.939 30 20 CHED Cc1cc2ccccc2nc1NN=C1CC(OC(C)C)C1 814896230 OYOUYHPKVVMKHN-UHFFFAOYSA-N 283.375 3.899 30 20 CHED C(=NNCCCOc1ccccc1)c1cccc2cc[nH]c12 814838213 DWMBPNXGPXACCC-UHFFFAOYSA-N 293.370 3.561 30 20 CHED Cc1sccc1C=NNc1cc(Cl)ccn1 814897986 IFANKKCWLAAWCW-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 574673304 HZWWLFAWCLJVTE-DZJNRPSUSA-N 296.414 3.756 30 20 CHED CCCN(CC#N)C(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 489940781 SUJHATGAWYOVPX-LSDHHAIUSA-N 284.403 3.738 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C1CCCCCC1 726139020 WEPVFPVJDBUOLT-UHFFFAOYSA-N 287.359 3.833 30 20 CHED O=C(Nc1cccc(C#Cc2ccccc2)c1)C(F)(F)F 725881714 NILXTXCIWOHFAK-UHFFFAOYSA-N 289.256 3.587 30 20 CHED Cc1csc(NC(=O)NCCCc2ccccc2)c1C#N 576217246 DWYROKIXTQFINW-UHFFFAOYSA-N 299.399 3.683 30 20 CHED C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC(C)(C)C1 544118369 VNYBKOYCDRJIFQ-LBPRGKRZSA-N 260.356 3.565 30 20 CHED CC[C@H](CC#N)NCc1cc(-c2ccc(Cl)cc2)no1 577527191 LKELWQRCZFXSPT-CYBMUJFWSA-N 289.766 3.777 30 20 CHED C=CCCCCCN(CC(=O)O)Cc1ccc(Cl)cc1 575323451 VHZWOUVLYAVDNT-UHFFFAOYSA-N 295.810 3.973 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CCC[C@H]2C)c1 729144916 BUICUXNNXXOXLM-SNVBAGLBSA-N 279.384 3.597 30 20 CHED CC(C)c1cccc(NC(=S)NCCCCC#N)c1 728797851 DHJVIENVEFWRAY-UHFFFAOYSA-N 275.421 3.790 30 20 CHED CC(CSC(C)(C)C)=NNc1nc2ccccc2n1C 729636895 CRHKHPXJJYBRID-UHFFFAOYSA-N 290.436 3.893 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 821007336 GUCIVJDYJRBYDP-YVMONPNESA-N 296.257 3.502 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 821843855 HWANAPBPGQAYCV-FVQBIDKESA-N 287.403 3.660 30 20 CHED C/C=C(/CC)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 588570064 XCYILBDKYCQIDW-GULOHRGCSA-N 262.378 3.799 30 20 CHED C=CCN(Cc1cnc(-c2ccccc2)nc1)C(C)(C)C 661760509 WPZSIBCUSIEFBK-UHFFFAOYSA-N 281.403 3.930 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1c(F)cccc1Cl 497078522 KXSSNYRLCRAEDD-SNVBAGLBSA-N 284.762 3.633 30 20 CHED CS[C@H](C)CCC(=O)OCCCCC1(C#N)CCC1 909136009 REIFSGCWVJFCFW-CYBMUJFWSA-N 283.437 3.925 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(F)c(F)c2)c1 588476684 YAERYDNFQYQSRG-HYXAFXHYSA-N 259.255 3.564 30 20 CHED CN(C)C1(CNc2cccc(F)c2C#N)CCCCCC1 499658519 QKZNIMYOYJTDLX-UHFFFAOYSA-N 289.398 3.764 30 20 CHED Cc1ccccc1[C@@H]1CCN(C(=O)CCCCCC#N)C1 588155517 CTQJNBWSNCWIAZ-MRXNPFEDSA-N 284.403 3.785 30 20 CHED C=CC[S@@](=O)Cc1csc(C2CCCCC2)n1 905174970 PYDDGZOPIHUWET-QGZVFWFLSA-N 269.435 3.626 30 20 CHED CC[C@H](NCC(C)(C)c1ccccn1)c1cccc(C#N)c1 903005669 XUUIHJPHKITNLU-KRWDZBQOSA-N 293.414 3.972 30 20 CHED C[C@H](CC1CCCC1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839054367 NXWSPBIBMAUBKD-YUELXQCFSA-N 263.381 3.828 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@@H](C)c1nc(C)cs1 664646252 HCZVULVOAPYQSI-LLVKDONJSA-N 295.452 3.599 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CCC[C@H]1c1ccc(F)cc1 835535048 OLCYFWDKDZPEOM-LSDHHAIUSA-N 289.350 3.945 30 20 CHED C=C(C)CCN[C@@H]1c2ccccc2CC12CCOCC2 580261379 CFJCXIJWXWYIGN-QGZVFWFLSA-N 271.404 3.636 30 20 CHED C#CCCCNC(=S)Nc1ccc(Cl)c(Cl)c1 743010208 BDHSVLOGXNQFHQ-UHFFFAOYSA-N 287.215 3.693 30 20 CHED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1cccc(O)c1 737444453 RKRGGICXDPHJSH-WAYWQWQTSA-N 298.729 3.589 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccccc1C#N 588618289 LCFFUACRNWSALO-QXMHVHEDSA-N 277.323 3.853 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)[nH]c1C)c1ccccc1 835278776 QYESCMYKBPRRME-OAHLLOKOSA-N 268.316 3.503 30 20 CHED C=CCN(C(=O)NCC(C)(C)Cc1ccccc1)C(C)C 735383904 ODFGKWGRVJZQIN-UHFFFAOYSA-N 288.435 3.861 30 20 CHED Cc1ccc(C=NN[C@H](C)c2ccccc2)cc1F 731486926 ZYHXEXWETLQLJL-CYBMUJFWSA-N 256.324 3.819 30 20 CHED C=CCCOC(=O)C1(c2cccc(OC)c2)CCCC1 731289274 RRKHITBYQVGOQI-UHFFFAOYSA-N 274.360 3.626 30 20 CHED C=C[C@H](C)NC(=O)Nc1ncc(C2CCCCC2)s1 679884412 IREBDVQMDGWKBW-JTQLQIEISA-N 279.409 3.887 30 20 CHED CCc1c(C(=O)OCC(C)(C)C#N)oc2ccccc12 835286034 ZHLPGTUPXHEKTF-UHFFFAOYSA-N 271.316 3.702 30 20 CHED C#CCO[C@H](C)c1nc([C@H](c2ccc(C)cc2)C(C)C)no1 834737121 IAHIYEQAWOSVKX-ZBFHGGJFSA-N 298.386 3.877 30 20 CHED Fc1ccc(CON=C2CCOc3ccccc32)cc1 915214677 MVCDAWQXLDMFFU-UHFFFAOYSA-N 271.291 3.529 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](CC)c1ccc(Cl)s1 593471476 QISAWCBXCPJCRS-DTWKUNHWSA-N 270.785 3.519 30 20 CHED C=CC[C@H](NC(=O)NC1(CC)CCCC1)c1ccncc1 838475933 CRIJPQWJFSYUAN-HNNXBMFYSA-N 287.407 3.721 30 20 CHED C[C@@H]1C/C(=C/c2ccc(C(=O)O)o2)C(=O)c2ccccc21 833585621 AOYVKXHFJYBWCV-QLWWJYNRSA-N 282.295 3.751 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1ccc(F)cc1F 915979623 WMSHONMEJDIWRX-UHFFFAOYSA-N 296.267 3.757 30 20 CHED Cc1c(C(=O)N2CCC[C@@H]3C[C@@H]32)sc2ccc(C#N)cc12 590038657 ULZXMNBASZQVLC-OCCSQVGLSA-N 296.395 3.706 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N(C2CC2)[C@H](C)C#N)c1 598135524 XQQIFMNEXQZBBY-CABCVRRESA-N 298.430 3.892 30 20 CHED CON=C(C)c1ccc(SCC(F)(F)F)cc1 741763194 YCLRYQZXHAZLPC-UHFFFAOYSA-N 263.284 3.711 30 20 CHED Cc1ccsc1/C=C1/CCc2c(O)cccc2C1=O 742434726 LZOKMSIQFIENCQ-LUAWRHEFSA-N 270.353 3.975 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)Cc2ccccc2C)c1 917556925 RNESCRIVBPGPSE-YQNUULROSA-N 283.371 3.759 30 20 CHED CCC[C@H](NC(=O)C#Cc1ccccc1)c1ccccc1 747352893 LVYGQISTBOOREV-SFHVURJKSA-N 277.367 3.696 30 20 CHED C=CCN(C(=O)Nc1ccc2c(c1)CCC2)C(C)C 916707418 LFUVMMABXXPCMA-UHFFFAOYSA-N 258.365 3.604 30 20 CHED N#CCC1(CSCc2ccc(F)c(F)c2)CC1 596325201 IGACJIPBHAUUMP-UHFFFAOYSA-N 253.317 3.892 30 20 CHED CC/C(=C\C(=O)N[C@](C)(C#N)CC)c1ccc(C)cc1 741681668 OFDMUBLLESOBTP-WKOYGUFESA-N 270.376 3.597 30 20 CHED C=CCCOCC(=O)N[C@H](C)c1ccc(SCC)cc1 590890442 PEUGAGYJOWCFMC-CYBMUJFWSA-N 293.432 3.569 30 20 CHED C=CCCNc1ccc(OCC(F)(F)F)c(C)c1 740874486 XYDJWYXVLYCUPA-UHFFFAOYSA-N 259.271 3.924 30 20 CHED C[C@H](CC1CCCC1)NCCc1ccc(C#N)cc1 595056238 SEDLCFTUYNHJFI-CQSZACIVSA-N 256.393 3.659 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1ccc2c(c1)CCCC2 917556004 ZLVZAVBQYJDHMB-UHFFFAOYSA-N 294.358 3.570 30 20 CHED CCC(=NNc1ccc(F)cc1F)c1c(C)nn(C)c1C 741836506 BNDHGSZVXNSGGD-UHFFFAOYSA-N 292.333 3.541 30 20 CHED C#CCNC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 742710149 NJGZCDNIEYHZAY-CQSZACIVSA-N 292.810 3.750 30 20 CHED C=C(C)CCOC(=O)COc1ccc(Cl)cc1Cl 744303669 OFCAKUFITDWGDU-UHFFFAOYSA-N 289.158 3.882 30 20 CHED CSCC1(CCN[C@@H]2CCc3ccc(C#N)cc32)CC1 595068800 LDNWJHNGKPJVEE-MRXNPFEDSA-N 286.444 3.668 30 20 CHED CCC(=NNc1nccc2sccc12)C1CCOCC1 745198959 WXKTXBUPIAGKHR-UHFFFAOYSA-N 289.404 3.901 30 20 CHED C=CCN(C(=O)c1ccc(OCCCC)cc1)C(C)C 915148047 RWORIGUWTMBYSN-UHFFFAOYSA-N 275.392 3.902 30 20 CHED C=C[C@@H](C)ONC(=O)C[C@@H](CC)c1ccc(C)cc1 846545709 PKPQNYJBVPVELU-ZIAGYGMSSA-N 261.365 3.501 30 20 CHED Cc1ncc(C(=O)OCC2(CC#N)CC2)c(Cl)c1Cl 849749409 XXSBFVMTYHESDZ-UHFFFAOYSA-N 299.157 3.548 30 20 CHED CC[C@](C)(C#N)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 749373698 MZGSAWWBYUKUJI-ZPHJMFTNSA-N 284.403 3.806 30 20 CHED CCc1ccc([C@@H](C)C(=O)OCC2(CC#N)CC2)cc1 744279656 XYSMJEGZCFRYME-CYBMUJFWSA-N 271.360 3.590 30 20 CHED C=CC[C@H](CC)NC(=O)c1oc2c(F)cccc2c1C 684939668 UEVWTMMUMQDWLC-NSHDSACASA-N 275.323 3.965 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1C 596635799 OMHKVKWAODFIGK-UHFFFAOYSA-N 291.351 3.770 30 20 CHED CSCc1cccc(NC(=O)C#Cc2ccccc2)c1 747222933 HUPVCVOINOKNBD-UHFFFAOYSA-N 281.380 3.540 30 20 CHED C#CCCCN=[S@@](=O)(c1ccc(F)cc1)C(F)(F)F 853725392 PZLNPATWVVOGCG-LJQANCHMSA-N 293.285 3.586 30 20 CHED CCc1nc(S[C@H]2CC[C@@H](C#N)C2)sc1C 845326234 JEBSSJQPVZLTJW-ZJUUUORDSA-N 252.408 3.798 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc2ncccc2c1 926332989 MBWHERHPOLXRII-ZDUSSCGKSA-N 267.376 3.653 30 20 CHED COC(=O)Cc1ccc(NN=C[C@H]2CCCC[C@@H]2C)cc1 844605614 IDYBRYPSSRZGNT-DZGCQCFKSA-N 288.391 3.626 30 20 CHED C=CCC1(NC(=O)/C(C)=C/c2ccco2)CCCC1 855928815 YBUMWLOFFSGMAM-OUKQBFOZSA-N 259.349 3.688 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCC(C)(C)C(=O)OC(C)(C)C 926619021 WMIDGBLCLJXTBV-ZDUSSCGKSA-N 296.455 3.662 30 20 CHED Cc1ccnc(NN=Cc2ccc3ccccc3c2)c1 755902625 MQHWPXXTPGQPJH-UHFFFAOYSA-N 261.328 3.989 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1C[C@@]12CCc1ccccc12 851210843 YRBAOGGVUIISSR-VVFCZOMOSA-N 297.398 3.762 30 20 CHED C#CCCCCNC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 753178808 HWKLETKFYKXLBR-QZTJIDSGSA-N 298.430 3.816 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 756869068 YQMUTOQFTPFLLM-MRXNPFEDSA-N 264.328 3.573 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCOc2ccc(F)cc21 924827537 UGURCZCOIKNYMO-IUODEOHRSA-N 290.382 3.957 30 20 CHED CCCCCCCCNC(=O)c1cccc(C(C)=O)c1 755146753 JFYIEMKSRNCVIX-UHFFFAOYSA-N 275.392 3.980 30 20 CHED FC(F)CON=Cc1c(Cl)oc2ccccc12 758903108 ARDVWLVTHLWGEP-UHFFFAOYSA-N 259.639 3.702 30 20 CHED CCCCCCCN(CC(N)=O)[C@H](C)c1ccccc1 757859911 IEWXWUYNFBEDES-OAHLLOKOSA-N 276.424 3.505 30 20 CHED CCc1ccc(CC(=O)OCc2cc(F)ccc2C#N)cc1 759362366 MTRPAYRBKHFEJZ-UHFFFAOYSA-N 297.329 3.546 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(C#N)c(Cl)n2)c(C)c1 752997182 BMGJCHDZQQFESE-UHFFFAOYSA-N 299.761 3.500 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1coc2ccccc12 851203975 IBILAOZSAVRLHR-GFCCVEGCSA-N 285.343 3.847 30 20 CHED C#CC[C@@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 756996088 ODYUFUXPYOMHPS-MRXNPFEDSA-N 289.300 3.958 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2c(F)ccc3ccncc23)C1 857627063 FINUQPRJELBZIP-AAEUAGOBSA-N 298.317 3.613 30 20 CHED C[C@H]1CCCCN1N=C1CCC[C@H]1c1ccccn1 853381929 OYNAVLBVUYRNNP-KBPBESRZSA-N 257.381 3.580 30 20 CHED COc1cccc2c1CCC2=NNc1ncccc1Cl 759653729 SWEVVGYEMGUZIA-UHFFFAOYSA-N 287.750 3.506 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)c1)c1ccn(C)n1 758070955 XGPVCTBEIHZGAX-UHFFFAOYSA-N 296.296 3.665 30 20 CHED c1ccc(-c2nc3c(s2)C(=NNC2CC2)CCC3)cc1 758129165 JNPGPKWMTVPFMF-UHFFFAOYSA-N 283.400 3.603 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)[C@@H]1CCOC1 751894874 FFZWLASIJRVCPJ-SECBINFHSA-N 273.163 3.818 30 20 CHED C=C1CCN(C(=O)Nc2csnc2-c2ccccc2)CC1 931738859 YBJKUHNTPHLTGS-UHFFFAOYSA-N 299.399 3.994 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(-c3ccon3)c2)CC1 933795510 YKOFFQSKOVAUJH-UHFFFAOYSA-N 297.358 3.772 30 20 CHED Cc1cccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1C 750784429 ZSWSWYCPLHHXHX-QGZVFWFLSA-N 293.366 3.843 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](c1ncccc1C)C(C)C 932900928 XUAYYYHKUXJEAK-GOEBONIOSA-N 274.408 3.806 30 20 CHED CCOC[C@@H](NCCCCC1(C#N)CCC1)C(C)C 930437271 MPPGTOSBNHBGCM-OAHLLOKOSA-N 266.429 3.501 30 20 CHED N#CCCCCOC(=O)/C=C\c1ccccc1C(F)(F)F 869740609 OMNHYECZPZRASF-HJWRWDBZSA-N 297.276 3.956 30 20 CHED C#CCOCCN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 761112761 BKFXMMVXMMSUNB-NSHDSACASA-N 286.202 3.636 30 20 CHED N#CCC[C@H](NC(=O)[C@H](F)c1ccccc1)c1ccccc1 769453299 NDNTUVYTORPBPS-DLBZAZTESA-N 296.345 3.858 30 20 CHED C#C[C@@H](OC(=O)c1occc1-c1ccccc1)C1CC1 767521537 JKXPBXJRLOUPEV-OAHLLOKOSA-N 266.296 3.515 30 20 CHED CCCCCCCNc1ccc2c(c1)C(=O)N(C)CC2 760463923 VDGTVSGYTTXVDH-UHFFFAOYSA-N 274.408 3.697 30 20 CHED COc1ccc(C(=O)/C=C/c2sccc2OC)cc1F 764431338 BIMQEOPTSYGWSU-GQCTYLIASA-N 292.331 3.801 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(OC2CCCC2)CC1 931319098 ACHWNXYQBXPIHN-AWEZNQCLSA-N 279.424 3.539 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 860870431 PLBOTIXGLPMRKL-LMOYCYGVSA-N 263.381 3.684 30 20 CHED CCN(C[C@@H](O)c1ccc(C#N)cc1)c1cccc(C)c1C 763503306 ZVVRFQUKNCEGSS-LJQANCHMSA-N 294.398 3.735 30 20 CHED CCc1oc2ccccc2c1CC(=O)OCC1(CC#N)CC1 860236448 MDJDKRRJVDAWHR-UHFFFAOYSA-N 297.354 3.775 30 20 CHED C#CCCCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 760330636 SYCPTCCMDHTCEM-CYBMUJFWSA-N 268.187 3.984 30 20 CHED CC#CCCCC(=O)NCC(C)(C)CCCCC 767090675 CJVKQCLUITWGSQ-UHFFFAOYSA-N 251.414 3.903 30 20 CHED C#Cc1cccc(NC(=O)CO[C@@H]2CCCC[C@@H]2CC)c1 766340377 UXFSGYRHITYEEM-DOTOQJQBSA-N 285.387 3.592 30 20 CHED C=CCN(Cc1cccc(Br)c1O)C(C)C 768547468 NRRDIEGNWCKIBY-UHFFFAOYSA-N 284.197 3.551 30 20 CHED CC(C)(C#N)CCOC(=O)CCSc1ccccc1 776356409 FBDTXLPNROFUHT-UHFFFAOYSA-N 277.389 3.652 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C1\CC[C@@H](C)C1 770334508 RYSSRHIYDIPWBQ-VSXLWIIGSA-N 254.333 3.552 30 20 CHED CCC(=NNc1cccc(C(=O)OC)c1)c1cccs1 779828481 VTPGKHATDBHAME-UHFFFAOYSA-N 288.372 3.761 30 20 CHED C=CCCCCCCN[C@@H](C)CC1(C#N)CCOCC1 877523153 UGIYUNOJZMSBBW-INIZCTEOSA-N 278.440 3.811 30 20 CHED C=C(CC)CON=Cc1ccc(OC(F)F)c(OC)c1 773184321 PZKJUTGGPWCACD-UHFFFAOYSA-N 285.290 3.613 30 20 CHED C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1cccc(C#N)c1 777703726 YJMXLNBMFZVXMA-ZDUSSCGKSA-N 297.377 3.932 30 20 CHED CCCCCCCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 777770983 ZCBOCTUDYXDGPD-UHFFFAOYSA-N 291.439 3.785 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc2c(c1)OCCO2 777910725 BUTXUIOJOCLEDI-ZZXKWVIFSA-N 298.313 3.801 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCCC(C)(C)[C@H]1C#N 1539317493 SDAFREZZKNAZPN-HUUCEWRRSA-N 278.440 3.990 30 20 CHED CCOCCON=C(Cc1ccc(C)cc1)C(C)C 774422789 NHYXBRAIBYUUJD-UHFFFAOYSA-N 263.381 3.603 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@@H](C#N)Cc1ccccc1 779712857 MMPDITKPVDOOEE-GOEBONIOSA-N 291.354 3.524 30 20 CHED CCC[C@H](C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887704701 PQUYVDHDOCAWMM-AWEZNQCLSA-N 284.403 3.700 30 20 CHED C=CCC[C@@H](C(=O)OCC[C@@H]1CCCO1)c1ccccc1 778666070 KDFSTCUTSPRYES-DLBZAZTESA-N 288.387 3.849 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)O[C@@H](C#N)C1CCCCC1 785942065 SOEGPLKSTVIVPM-CVEARBPZSA-N 293.407 3.740 30 20 CHED CCSCCC=NNc1cccc(C(F)(F)F)n1 781126930 IXTXKXKCMJVTQO-UHFFFAOYSA-N 277.315 3.641 30 20 CHED C#CCC1(C(=O)Oc2ccc(C#N)cc2F)CCCCC1 788452978 JTFKZKABOQETQB-UHFFFAOYSA-N 285.318 3.577 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1snnc1C 787996217 PTUPUPNBRFERLE-NSHDSACASA-N 283.441 3.573 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cc2cccc(Cl)c2o1 783079964 CCLQIHTVEVDWGK-LBPRGKRZSA-N 277.707 3.791 30 20 CHED COc1cc(C=NOCCC2CC2)ccc1OC(C)C 783553061 OJMWJRXKVNWEQU-UHFFFAOYSA-N 277.364 3.633 30 20 CHED N#Cc1ccc(OCc2cccc(F)c2F)cc1F 66749604 HARRJHWNCJWKLJ-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC1(C)Cc2cccc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)c2O1 1129608616 HASRLAWMXQFORL-GXTWGEPZSA-N 299.370 3.639 30 20 CHED C[C@@H](Sc1ccc(Cl)nn1)c1cccc(C#N)c1 785443639 KTAFPTUVCJEPMP-SECBINFHSA-N 275.764 3.855 30 20 CHED CC#CCCCc1nc([C@@H](C)c2cccc(F)c2)no1 897079665 ZGXBPTDSWIYRAF-LBPRGKRZSA-N 272.323 3.707 30 20 CHED CCc1c(C(=O)N[C@@H](C#N)C2CCCC2)oc2ccccc12 893710684 UZFQMUPMYGUIGT-HNNXBMFYSA-N 296.370 3.807 30 20 CHED CC(C)(C#N)CCOC(=O)C1(Cc2ccc(F)cc2)CC1 782467895 NKPPUTQPRVEVRG-UHFFFAOYSA-N 289.350 3.631 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2C(F)(F)F)n(C)n1 789159307 KTAQZWOKINOMGV-FPLPWBNLSA-N 294.276 3.643 30 20 CHED CN(Cc1cccs1)Cc1cn2ccccc2c1C#N 73342230 HAVKFWJMGMQCRC-UHFFFAOYSA-N 281.384 3.504 30 20 CHED Fc1cc(NN=Cc2c(Cl)cccc2Cl)ccn1 781132883 PTSBUGCJYJTMBO-UHFFFAOYSA-N 284.121 3.974 30 20 CHED Clc1ccc2c(c1)C(=NNc1ncncc1Cl)CC2 780281927 YTCLAIBXRIQUSO-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C#Cc1cccc(NCCOc2ccc(OCC)cc2)c1 897133188 FSLZKQZUOAQFMK-UHFFFAOYSA-N 281.355 3.558 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1 78280971 QHEJUANERPVDGA-RUDMXATFSA-N 274.266 3.870 30 20 CHED CC(C)c1ccc(/C=C\C(=O)c2ccnc(O)c2)cc1 791431143 GHZBOMCVLMFRQB-YVMONPNESA-N 267.328 3.807 30 20 CHED CC[C@@H](C)CON=C(C)c1cnn(C(C)C)c1C 793145131 HRVMJLWUYAFGLH-LLVKDONJSA-N 251.374 3.559 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)CCc2ccc(O)cc21 794959610 BTIAZAHBZKXVQC-XYOKQWHBSA-N 286.277 3.883 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)no1 791433839 UEBVILXEPMIBAH-DAXSKMNVSA-N 281.233 3.898 30 20 CHED CCN(CCc1ccc(C#N)cc1)Cc1ccc(C)cc1 1208930042 ZDEHSGUFIBMRQT-UHFFFAOYSA-N 278.399 3.931 30 20 CHED C=C(Cl)CSCc1ccc(-n2ccnc2)cc1 790565325 XBJGPCWFAHSATQ-UHFFFAOYSA-N 264.781 3.858 30 20 CHED C=CCC1(NCc2ccc(NC(C)=O)cc2)CCCC1 657702039 FTAXBGIGXXQLRV-UHFFFAOYSA-N 272.392 3.624 30 20 CHED CCCN(CCC)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790103423 MVSOGCILLIIWEM-UHFFFAOYSA-N 297.320 3.706 30 20 CHED CC(/C=C1/CCc2nn(C)cc2C1=O)=C\c1ccccc1 794962806 XWZIBBJHDLHKPF-RJSPBKBSSA-N 278.355 3.579 30 20 CHED N#Cc1ccc(CN2C[C@H]3CCCC[C@H]32)c(Cl)c1 706795627 JXENOFQRWYFMCW-UKRRQHHQSA-N 260.768 3.586 30 20 CHED CCCCOc1ccccc1C=NOCCSC 794572417 QWRSXAROUNTZJP-UHFFFAOYSA-N 267.394 3.579 30 20 CHED COCCCON=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1 795048192 JAUJMOHZIRRKTB-WDEREUQCSA-N 287.812 3.934 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1ccc(Cl)c(Cl)c1 797800502 DREPWAYOUUMCKP-UHFFFAOYSA-N 296.109 3.986 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)c2cccs2)cc1C#N 799562002 MNDKUOGIMLHVRM-LBPRGKRZSA-N 284.384 3.761 30 20 CHED C#CCCCN1CCC(c2ccc(F)cc2C)CC1 794623289 DDJHUXUCYWBDJF-UHFFFAOYSA-N 259.368 3.727 30 20 CHED CC1(C)Cc2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc2O1 799724287 KGJBREHZOSXASR-DGCLKSJQSA-N 256.349 3.504 30 20 CHED C[C@H](Cc1cccs1)Nc1cccc(OCC#N)c1 689918993 YCPQUKGGYLWMMC-GFCCVEGCSA-N 272.373 3.694 30 20 CHED C[C@H]1CN(c2c(F)cc(C#N)cc2F)C[C@@H](C)C1(F)F 599116609 AXYBYKBEOOLJSY-DTORHVGOSA-N 286.272 3.564 30 20 CHED CCCCCCCCN1CCN(Cc2cscn2)CC1 740875375 WNQBIUIZQSAOSN-UHFFFAOYSA-N 295.496 3.621 30 20 CHED N#CCc1ccc(NC2CCC(F)(F)CC2)cc1 592362685 BBTSWFGDCXCLCK-UHFFFAOYSA-N 250.292 3.742 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N1CCC[C@@](C)(C#N)C1 592788318 WVDCESZLRAOQQD-RDJZCZTQSA-N 276.424 3.911 30 20 CHED Cc1ccc(C#N)cc1NCc1cccc2[nH]ccc12 80354649 QGMXOORYZIMJGQ-UHFFFAOYSA-N 261.328 3.960 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1[C@@H](C)CO 696774412 FCANRCPHZZTMHM-HOTGVXAUSA-N 283.456 3.747 30 20 CHED C#C[C@H](C)N(C)Cc1csc(-c2ccc(C)cc2)n1 769975827 MLMCSWZHSUUIQU-ZDUSSCGKSA-N 270.401 3.572 30 20 CHED CC1(C)CCN(c2cccc(C#N)n2)CC(C)(C)C1 699711552 BTILONLVDOBGJU-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCc2ccc(C#N)cc21 1168926228 YWZJDLLJCLJMLJ-CZUORRHYSA-N 254.377 3.747 30 20 CHED CCCCNc1nnc(SCCC(C)(C)C#N)s1 1319112587 KOVJMVAPMVICJD-UHFFFAOYSA-N 284.454 3.782 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2sccc2C#N)CC1 1310957302 XTXVJGIESVCPJL-PWSUYJOCSA-N 277.393 3.710 30 20 CHED Cc1cc(C#N)ccc1Oc1nnc(C(F)(F)F)s1 1639394245 VYVOSWQIFIOHOS-UHFFFAOYSA-N 285.250 3.529 30 20 CHED CCc1ccccc1CN1CCc2ccc(C#N)cc21 1654031836 BLMHECWAIPMOFT-UHFFFAOYSA-N 262.356 3.683 30 20 CHED C=CCn1cnnc1SCc1ccc(Cl)c(F)c1 1321689282 JUGHDAQDXUHTOM-UHFFFAOYSA-N 283.759 3.549 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)CC(C1CC1)C1CC1 1320191169 MAXHIEJCSOIAOJ-LBPRGKRZSA-N 298.386 3.742 30 20 CHED N#CC1(c2ccccc2)CC(NC[C@H]2CCC(F)(F)C2)C1 1321261496 FYCUHLOLHFESPY-JEYLPNPQSA-N 290.357 3.635 30 20 CHED C=CCC1(c2nnc(-c3ccccc3OC)o2)CCC1 1325798744 NHOUDRCYBRDHTL-UHFFFAOYSA-N 270.332 3.743 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccccc2Cl)nn1 1322975601 NORSWJRCJNLWGX-UHFFFAOYSA-N 288.782 3.874 30 20 CHED N#Cc1cccc(C2(C(=O)N3C4CCCC3CCC4)CC2)c1 1322768801 OBUXMBQAPHKVMQ-UHFFFAOYSA-N 294.398 3.523 30 20 CHED CC(C)c1ccc(C2(C(=O)N[C@@H](C#N)C(C)C)CCC2)cc1 1320273328 JWGWOMITHBGPRE-KRWDZBQOSA-N 298.430 3.896 30 20 CHED C[C@@H](NC(=O)Nc1sccc1C#N)c1ccccc1 1184983056 PUBRKZQWGBKDAL-SNVBAGLBSA-N 271.345 3.502 30 20 CHED C=C[C@@H](C)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1263381484 XAXQYKRGULLOGO-SECBINFHSA-N 263.724 3.861 30 20 CHED C=C(CC)COC(=O)C1(Sc2ccccc2)CC1 1341716407 XHWOOLFZZUDPIL-UHFFFAOYSA-N 262.374 3.821 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)cc1C)CC2 1191673379 WVHFKIRRTUDBGT-UHFFFAOYSA-N 262.356 3.738 30 20 CHED CSc1ccc(/C=C/C(=O)O[C@@H]2CC[C@H](C#N)C2)s1 1263386358 QRMYOISUJIISGC-XDFYEUQUSA-N 293.413 3.719 30 20 CHED CCN(C(=O)c1occ(C)c1C)[C@@H](C)c1ccc(C#N)cc1 1342345681 BZZFHVITTDDPCF-AWEZNQCLSA-N 296.370 3.991 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H](CC)c1ccccc1OC 1358239596 HITODJDHCSHUFN-HNNXBMFYSA-N 275.392 3.961 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1ccc(F)c(C)c1 1288595300 OOCRTOITHPEIAW-UHFFFAOYSA-N 288.347 3.734 30 20 CHED C=C(Cl)Cn1c(-c2ccccc2)nnc1N(C)CCC 1286625084 UEQMNOWFYDZTSW-UHFFFAOYSA-N 290.798 3.544 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)Nc1ccc(C#N)cn1 1520643061 KLJLUHWREVAIJG-UHFFFAOYSA-N 293.370 3.794 30 20 CHED Cc1c(C#N)cccc1C(=O)OC1(c2ccccc2)CC1 1524733293 BEOKNJVDUWYOJJ-UHFFFAOYSA-N 277.323 3.713 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2sccc2C#N)cc1 1466981549 KDYFXLBNCKQYCT-LLVKDONJSA-N 285.372 3.811 30 20 CHED CN(C(=O)c1ccc(C#N)s1)c1nsc2ccccc12 1532024929 FHTWCXMLRIQWNE-UHFFFAOYSA-N 299.380 3.506 30 20 CHED C=CC[C@H](SCc1ccc(C)c(C)c1)C(=O)O 1602849010 KBGVGZJHJIURHD-ZDUSSCGKSA-N 250.363 3.566 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCN(C)C2(CCCCC2)C1 1460132074 PGHHVCLKKHMVQM-MRXNPFEDSA-N 297.446 3.570 30 20 CHED N#Cc1cc(NC(=O)c2csc(Cl)c2)c(F)cc1F 1535439767 WFXNKFAWSROIQQ-UHFFFAOYSA-N 298.701 3.804 30 20 CHED C=C(Br)CN1CC(C)(C)Oc2ccccc21 1616355753 ANCYHZNLCJKZTP-UHFFFAOYSA-N 282.181 3.573 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(C#N)c1 1622820363 NNGKQFYELPBCCS-CABCVRRESA-N 285.391 3.895 30 20 CHED Cc1ccc([C@H](C)N(C)CC2(CC#N)CC2)c(C)c1 1559496200 HFCGTQBSJQWHEJ-HNNXBMFYSA-N 256.393 3.990 30 20 CHED N#Cc1cnc(N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)c(F)c1 1639404227 ZGGLAVDBLYLWNA-TUUVXOQKSA-N 299.393 3.887 30 20 CHED CCc1ccccc1CNc1cc(F)cc(C#N)c1 227620189 HHIKMJNMNZAJTA-UHFFFAOYSA-N 254.308 3.872 30 20 CHED CC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F 1642715995 BVJKXMXEXPBSCR-OCCSQVGLSA-N 294.345 3.828 30 20 CHED C=CCCC[C@H](N[C@H]1CC[C@H](C(=O)O)C1)c1ccccc1 1588797756 LIOFBNICDNZCER-ULQDDVLXSA-N 287.403 3.927 30 20 CHED C=C1C[C@@H](C(=O)O)N(Cc2c(CC)ccc3ccccc23)C1 1776147978 UUGDYPZQFYFJIF-SFHVURJKSA-N 295.382 3.617 30 20 CHED CC(C)c1cccc(/C=C\C(=O)c2cncc(C(=O)O)c2)c1 1776375985 PSPHPTHSPZIWQX-SREVYHEPSA-N 295.338 3.799 30 20 CHED CCc1cccc(/C=C\C(=O)c2ccc(C(=O)O)s2)c1 1776974921 WOEOBQVSPAHSOD-SREVYHEPSA-N 286.352 3.905 30 20 CHED CC(C)C[C@H]1CCC1=NNc1cccc(C(=O)O)c1 1776038422 JXASCIZVFGNJLL-LLVKDONJSA-N 260.337 3.609 30 20 CHED C#CCCCCNCc1ccccc1OCc1ccccn1 150732716 WYVMFOMSIIHOAB-UHFFFAOYSA-N 294.398 3.554 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(C#N)cc1 162629589 ICLBSLYDGIPENG-GFCCVEGCSA-N 295.773 3.934 30 20 CHED C=CCC[C@H](NCCCSc1nccs1)C1CC1 121250153 NLWIETKQDZQSNU-ZDUSSCGKSA-N 282.478 3.960 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnc3ccc(C)cn23)o1 151442605 CTQSVSMFDBYHDW-FNORWQNLSA-N 280.327 3.694 30 20 CHED CCCCCC(=O)N[C@H](CCC#N)c1ccccc1 153671884 AAJRHTIGTHZGHK-OAHLLOKOSA-N 258.365 3.728 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(C#N)c(Cl)c1 155580760 VZLPHIDVYMEETJ-UHFFFAOYSA-N 295.729 3.644 30 20 CHED Cc1cccc(CN(C)CCCCC(C)(C)C#N)n1 234272514 MDNPZAIBYYOOJA-UHFFFAOYSA-N 259.397 3.542 30 20 CHED C[C@H](Sc1cccs1)C(=O)Nc1cccc(C#N)c1 20078194 VLAMUUCHCANGFK-JTQLQIEISA-N 288.397 3.739 30 20 CHED C[C@]1(CNc2ccc(C(F)(F)F)c(C#N)c2)CCCO1 154054475 HUROAUYPFLXQTE-CYBMUJFWSA-N 284.281 3.558 30 20 CHED COCc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 36918182 DVYNHHVBKPSGHP-CYBMUJFWSA-N 266.344 3.878 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O 182424783 IZIGPMAIGPEWDF-OLZOCXBDSA-N 263.381 3.796 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(F)c1 404114824 FLUMIJSFLSRLCH-CJNGLKHVSA-N 260.356 3.756 30 20 CHED Cc1ccc(CNCc2ccc(C#N)c(F)c2)cc1Cl 404650350 QWIZBRQHVDEDCV-UHFFFAOYSA-N 288.753 3.949 30 20 CHED C=C(CC)CN[C@H](CC)c1ccc(OC)c(OC)c1 313488415 QIVYKHDMKBJLNL-CQSZACIVSA-N 263.381 3.711 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC1(CCOC)CC1 657929061 QERVLXAAKYRHKP-LSDHHAIUSA-N 251.414 3.528 30 20 CHED CCC[C@H](Nc1cccc(OCC#N)c1)C1CCC1 322493605 ZDUDHXDNPXAGDN-INIZCTEOSA-N 258.365 3.970 30 20 CHED N#Cc1cc(F)cc(NCc2ccc(Cl)o2)c1 698069864 PFZSDGDLXYGGRX-UHFFFAOYSA-N 250.660 3.556 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(Cl)c(Cl)nc1C 384836340 GYWARKRDQFMEMW-UHFFFAOYSA-N 287.190 3.639 30 20 CHED C#CCN(Cc1ccccc1)Cc1cc(C)oc1C 809715942 ICMJAADGPLVKNQ-UHFFFAOYSA-N 253.345 3.532 30 20 CHED C=CCCN(Cc1cscn1)OCc1ccccc1 782668504 BDVFDHAJDNYUED-UHFFFAOYSA-N 274.389 3.653 30 20 CHED C=CC[C@H](C(=O)Nc1nc2c(s1)CCC2)c1ccccc1 547627965 LGSJKXFKKFGMDH-ZDUSSCGKSA-N 298.411 3.930 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 274517979 ZIVKOECWXJKAFU-CHWSQXEVSA-N 279.330 3.541 30 20 CHED CCC(CC)CN(CCC#N)Cn1nc(C)sc1=S 104655626 MOOFDHVGJIEENP-UHFFFAOYSA-N 298.481 3.592 30 20 CHED C#CCCOc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 113336456 JZYPDUJNYCCUIG-OAHLLOKOSA-N 295.382 3.645 30 20 CHED N#Cc1ccccc1SCCCOCC(F)(F)F 173714595 MOTJTZGOCHMGJN-UHFFFAOYSA-N 275.295 3.619 30 20 CHED CC(C)(C)c1ccc(NN=C2C3CC4CC(C3)CC2C4)nn1 59347167 HZFIGQRLRVVZMY-UHFFFAOYSA-N 298.434 3.998 30 20 CHED N#Cc1cccc(Cl)c1N1Cc2ccccc2C1 172757443 JRDHVPNJRWGMQL-UHFFFAOYSA-N 254.720 3.732 30 20 CHED C#CCCCCC(=O)NCCCc1cccc(Cl)c1 179884544 QKGQFUNAKMILQF-UHFFFAOYSA-N 277.795 3.582 30 20 CHED C=CCn1nnnc1S[C@H](CC)c1ccc(Cl)cc1 64368472 YNSMNSPGOJQVIT-GFCCVEGCSA-N 294.811 3.756 30 20 CHED C[C@]1(CNc2cc(Cl)ccc2C#N)CCCC[C@H]1O 301497150 UNIXQMGVQPIKOA-HUUCEWRRSA-N 278.783 3.565 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccc2ccccc2c1 176769314 NPTOXWYMTDRINH-UHFFFAOYSA-N 293.370 3.997 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)c1cccc(C#N)n1 301256725 DMLGAHJGCDOPKS-UHFFFAOYSA-N 292.169 3.896 30 20 CHED COc1ccc(N/C(N)=N/C[C@@H](C)c2cccc(C)c2)cc1 304786557 ILJSYRIMGNHIMR-CQSZACIVSA-N 297.402 3.534 30 20 CHED Cc1ccc(C(=O)CSc2cc(C#N)ccn2)cc1C 71918467 YOIPWHIMVNISOU-UHFFFAOYSA-N 282.368 3.545 30 20 CHED C#CCCCCC(=O)NCC1(c2ccccc2Cl)CC1 120068808 DWKARLFUTXVXIQ-UHFFFAOYSA-N 289.806 3.681 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1ccc(F)c(F)c1 120217488 DNZKSLNHUGOGGZ-GHMZBOCLSA-N 284.302 3.550 30 20 CHED CC[C@H](Nc1ccc(C#N)c(C)n1)c1ccccc1 311839469 MEHFXFHICXMWJY-HNNXBMFYSA-N 251.333 3.825 30 20 CHED C#CCCCNC(=O)Cc1cc2c(ccc3ccccc32)o1 178955647 CXTRCSAJKWEMOC-UHFFFAOYSA-N 291.350 3.658 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCN(c2ccccc2)C1)C1CC1 120118415 FNZPADUZUJQSCK-QFBILLFUSA-N 284.447 3.847 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1ccccc1OC 36995057 VIQRXALIJAGLIF-KRWDZBQOSA-N 280.371 3.808 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc(F)cc1F 184768848 WFVDBUJHVIFDIG-HWKANZROSA-N 280.295 3.931 30 20 CHED C#CCCCCC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 120195432 DPFSCOXETGCCSL-UHFFFAOYSA-N 283.415 3.988 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc2ncccc2c1 189906195 AHBLJVBGOZGFOF-UHFFFAOYSA-N 295.386 3.779 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc(Oc2ccccc2)ccn1 187978905 BYDUCQIJMIMZIA-ZDUSSCGKSA-N 296.326 3.723 30 20 CHED Cc1nc(N2CCC[C@H](C)[C@H]2C)c(Cl)cc1C#N 336786463 CASFPFHCMIUWJZ-GXSJLCMTSA-N 263.772 3.540 30 20 CHED N#C[C@H]1CCC[C@@H](NC[C@@H]2CCCO[C@@H]2c2ccccc2)C1 185796075 UMDQWCDDANMXKH-GDAAHCPNSA-N 298.430 3.826 30 20 CHED CCN(Cc1ncc(-c2ccccc2C)o1)C[C@@H](C)C#N 75678228 VZVIHOLGVVKGGV-ZDUSSCGKSA-N 283.375 3.632 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 185804428 FEQRKLNSACMCKX-DOTOQJQBSA-N 269.388 3.585 30 20 CHED C=CCCCCNC(=O)Nc1ccc(F)c(F)c1C 417524529 SPIGQKJLLLQKFD-UHFFFAOYSA-N 268.307 3.751 30 20 CHED CCc1ccc(OCCOc2ccccc2C#N)c(OC)c1 318382066 ZSYAMLPWAFIUFD-UHFFFAOYSA-N 297.354 3.587 30 20 CHED Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(C)c1 213185199 DYEHTOQEWZIIAO-NTMALXAHSA-N 276.339 3.827 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cncc(-c2ccc(C)cc2)c1 188065936 NYRFWDZZUSXYPM-KRWDZBQOSA-N 294.354 3.906 30 20 CHED CCN(Cc1occc1C)c1nccc(C#N)c1Cl 413559336 VNELURVMUPTJBR-UHFFFAOYSA-N 275.739 3.535 30 20 CHED CC#CCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 185623982 WBFQXDBYLJMWSU-SJORKVTESA-N 283.415 3.893 30 20 CHED C[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@H](C)S1 70387419 BOLOHBBZPLOCNT-UWVGGRQHSA-N 266.797 3.542 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)ccc1C#N 443997669 YDBQOUFNPZUCPO-JFIYKMOQSA-N 268.404 3.925 30 20 CHED N#Cc1cc(Cl)ccc1CNc1ccccc1F 187703786 LAYHOHKNCWAEGL-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Sc1ccccc1 410129376 YTUHMGJVPGGDDP-OLZOCXBDSA-N 263.406 3.638 30 20 CHED CCN(C/C(C)=C\c1ccccc1COC)C[C@@H](C)C#N 507586221 VWINIQFGNVABGA-IZNAZMGOSA-N 286.419 3.718 30 20 CHED CN(CCCCC(F)(F)F)Cc1cccc(C#N)c1 130876739 VFDBGRZPLITBQH-UHFFFAOYSA-N 270.298 3.723 30 20 CHED C=CCSCc1ccc(Br)cc1C#N 379547940 YFCSQKCYJACNOD-UHFFFAOYSA-N 268.179 3.740 30 20 CHED Cc1cccc2c(N(C)Cc3nccs3)c(C#N)cnc12 80613340 JWDGNLBAOLECGJ-UHFFFAOYSA-N 294.383 3.508 30 20 CHED CCOc1cccc(NCc2ccc(OC)c(C#N)c2)c1 87823788 YZNQVYXOIZCZSP-UHFFFAOYSA-N 282.343 3.578 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)c(C#N)c2)ccc1Cl 229960970 MGWDIXKJSCSUKQ-UHFFFAOYSA-N 295.729 3.644 30 20 CHED C=C(Br)CNC(=O)c1ccc(C2CCC2)cc1 190249357 OIUATGXSVJIUHE-UHFFFAOYSA-N 294.192 3.593 30 20 CHED C[C@@H]1CC(=O)CC[C@@H]1C(O)=Nc1cnc2c(c1)CCCC2 329452944 MKBSUXSATPDBNT-ABAIWWIYSA-N 286.375 3.554 30 20 CHED N#CC1(NC(=O)C23CC4CC(CC(C4)C2)C3)CCCCC1 40216395 JSBRTKQLTXGIHR-UHFFFAOYSA-N 286.419 3.545 30 20 CHED C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccc(F)cc1 514182480 MEFBRHCKSZZLCW-NSHDSACASA-N 299.305 3.821 30 20 CHED CCSCCN(CC)[C@H](C)c1ccc(C#N)cc1 172385614 CCOFLZSXWVULAM-CYBMUJFWSA-N 262.422 3.694 30 20 CHED C[C@]1(C/N=C(/O)c2scnc2C2CCCC2)CCOC1 329784228 PDIWJKPXQVZBLE-OAHLLOKOSA-N 294.420 3.532 30 20 CHED C[C@@H]1CCC[C@@](C#N)(/N=C(/O)C2CCSCC2)C1 328806194 LANCOQVAEHDRCS-BXUZGUMPSA-N 266.410 3.559 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(C)noc2C)cc1C 192766847 JMMIMXUYBKFZHD-BQYQJAHWSA-N 255.317 3.804 30 20 CHED COCc1ccc(/C=C2/CCOc3ccccc3C2=O)cc1 132650895 CUIJFQAHFDRWNQ-VBKFSLOCSA-N 294.350 3.882 30 20 CHED C=C(C)CN(CCCC(C)(C)C)Cc1ccc(CO)o1 512176354 CGWUJIWTBRHCMM-UHFFFAOYSA-N 279.424 3.976 30 20 CHED C[C@@H](NCCCN(C)C1CCCCC1)c1ccc(C#N)cc1 193435435 KVVYKFBCOGIDBD-MRXNPFEDSA-N 299.462 3.863 30 20 CHED C[C@H](NCc1ccc(F)c(C#N)c1)c1c(F)cccc1F 223633862 XCWSGYSOHLRJTK-JTQLQIEISA-N 290.288 3.826 30 20 CHED C#CCCCc1nc(-c2cccc(C(F)(F)F)c2)no1 191819860 RCHKPIILVLCMIK-UHFFFAOYSA-N 280.249 3.711 30 20 CHED CCC1(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCC1 425641637 WIIPRVVZJJPLSV-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED C=Cn1cc(CNc2cccc(OCC(=C)C)c2)cn1 194148722 ULAVHCTXZRKABQ-UHFFFAOYSA-N 269.348 3.551 30 20 CHED C=CC[C@@H]1N(Cc2nc(C(F)F)no2)CCCC1(C)C 425469727 FBVMDEBLLRNYRE-JTQLQIEISA-N 285.338 3.574 30 20 CHED Cc1ncsc1CCN(C)[C@@H](C)c1cccc(C#N)c1 425529355 BGHWLEUEKYMQRT-ZDUSSCGKSA-N 285.416 3.559 30 20 CHED CCOC1(C/N=C(/O)c2scnc2C(C)C)CCCC1 331296099 CQVMJFPYLQDSSE-UHFFFAOYSA-N 296.436 3.920 30 20 CHED Cc1cc(C(=O)OCCCC#N)c(C)n1Cc1ccccc1 194482832 YDVSXZQXLSUULM-UHFFFAOYSA-N 296.370 3.614 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1C 194275661 VPSDIZGJOVLUNX-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1 336278666 FFMUOUPECBNWPM-CJNGLKHVSA-N 297.402 3.894 30 20 CHED C[C@@H]1CN(c2ncc3c(c2C#N)CCC3)[C@H]1c1ccccc1 425229204 LCJOGLJFECNFAD-FZKQIMNGSA-N 289.382 3.639 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)c(F)c2)n1 192075871 LUAGGEJCDNSDPU-SFHVURJKSA-N 295.361 3.738 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](C2CCCC2)C1 421647380 UVCYOIHWEZCSRD-MRXNPFEDSA-N 261.409 3.794 30 20 CHED C[C@H]1SCC[C@@H]1Nc1cc(Cl)ccc1C#N 235609323 OLTHGJMUXPJVHF-KCJUWKMLSA-N 252.770 3.518 30 20 CHED CC(C)(C)C1CCC(C#N)(/N=C(/O)C[C@H]2CCOC2)CC1 330220446 QHCDLHYMDGRMKW-TUBUQKNSSA-N 292.423 3.868 30 20 CHED CC(C)CC1(CNc2ccnc(C#N)c2)CCCC1 94877956 APUNMMIQXULBBZ-UHFFFAOYSA-N 257.381 3.972 30 20 CHED CC(C)C[C@H]1CCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)C1 330943172 FDZCIPFSTWHTJN-NVXWUHKLSA-N 299.418 3.893 30 20 CHED C[C@H](S[C@H]1CCCN=C1O)/C(O)=N/CC1CCCCC1 330197233 RNOUSDWYFWOACT-AAEUAGOBSA-N 298.452 3.764 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 93458975 UGOSLNDEJBJBSJ-MAUKXSAKSA-N 286.419 3.990 30 20 CHED Cc1ccc(C)c2c1CCC[C@H]2NCC1(CC#N)CC1 430743109 NUYDDXQKOICMAY-MRXNPFEDSA-N 268.404 3.964 30 20 CHED CC[C@H](N/C(O)=N/[C@H](CC)C(C)C)c1c(C)noc1C 330473151 ZLVBFNFZROWNNL-OLZOCXBDSA-N 281.400 3.681 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(CC)c(C)c1 438264781 AIUFBUVZWOOCCZ-QGZVFWFLSA-N 275.392 3.725 30 20 CHED O/C(=N/CCOC1CCCCC1)c1cc2sccc2[nH]1 330231413 DYJAWVIRCLHNSY-UHFFFAOYSA-N 292.404 3.883 30 20 CHED CCCOc1ccccc1NC(=O)c1ccc(C)c(C#N)c1 96617937 MBVLNEBNLACQIZ-UHFFFAOYSA-N 294.354 3.908 30 20 CHED CCCN(Cc1ccc(N(C)CCC#N)cc1)CC(F)F 92737526 JHFLASHORYQPGB-UHFFFAOYSA-N 295.377 3.514 30 20 CHED C[C@@H]1CCCC[C@@H]1CNCc1ccc(N(C)CCC#N)cc1 237363281 DSTYJIKBNOLGMD-SJLPKXTDSA-N 299.462 3.952 30 20 CHED CC1(C#N)CCN(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)CC1 334881573 IVUJQONNHMJFHX-KGLIPLIRSA-N 291.439 3.536 30 20 CHED C[C@H](CC#N)N(C)CCc1cccc(Cl)c1Cl 434476787 LKHFVBDNIYBNMT-SNVBAGLBSA-N 271.191 3.770 30 20 CHED Cc1ccc(C#N)c(N2CC(C)(C)CC(C)(C)C2)n1 342888259 QTRBGWKZCDLZBQ-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 345486811 GTHAAFLBZDXWOS-CVEARBPZSA-N 273.351 3.566 30 20 CHED CS[C@@H]1CCCCN([C@@H](C)c2ccc(C#N)cc2)C1 246994653 WQKMNVKWBGKVNX-XJKSGUPXSA-N 274.433 3.837 30 20 CHED C=CCOCCCC(=O)N1CCCC2(CCCCC2)CC1 348052328 NZXWXKHPCHBQDX-UHFFFAOYSA-N 293.451 3.932 30 20 CHED COCC1(C#N)CCN(Cc2ccc(C(C)C)cc2)CC1 341988481 JXXXQSJANFIBCB-UHFFFAOYSA-N 286.419 3.562 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnc2ccccc2c1 343844494 XHUAAKJBRLFOOZ-UHFFFAOYSA-N 266.344 3.942 30 20 CHED C=CCC(CC=C)C(=O)NCc1cccc2cccnc12 342740945 LUNDYJFZNIFYKG-UHFFFAOYSA-N 280.371 3.619 30 20 CHED C[C@H](C#N)C(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 344097737 VMPZNFBMWJMGFI-GHMZBOCLSA-N 276.767 3.552 30 20 CHED C=CCCC1(c2nc(-c3cc(C)oc3C)no2)CC1 347149026 OWNDBXJLXIBJBW-UHFFFAOYSA-N 258.321 3.944 30 20 CHED N#Cc1ccnc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 343044999 JPSPGCIVRXGZMI-UONOGXRCSA-N 269.735 3.575 30 20 CHED Cn1c(-c2ccc(F)c(C#N)c2Cl)nc2ccccc21 430892763 GONVPGITFVTFPS-UHFFFAOYSA-N 285.709 3.904 30 20 CHED CCS[C@H]1CCC[C@@H](Nc2snc(C)c2C#N)C1 342817114 MFDOLJNHZVOTFI-MNOVXSKESA-N 281.450 3.799 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C#N)cc2)ccc1F 255643573 PZSWYLUKPVPUHA-UITAMQMPSA-N 265.287 3.902 30 20 CHED C=CC1CCN(C(=O)c2ccc(C(C)C)cc2O)CC1 436554525 JNZMQIOHMSFNLF-UHFFFAOYSA-N 273.376 3.554 30 20 CHED CN(CC(C)(C)C#N)c1ncc(C(F)(F)F)cc1Cl 432142389 DWYVBUWSTYWWKZ-UHFFFAOYSA-N 291.704 3.740 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(Cl)c1F 435736585 YDYGMKIQZMECJY-IUODEOHRSA-N 283.774 3.550 30 20 CHED C=CC[C@H](C)NC(=O)NC1CCC(CCC)CC1 604915942 HBKNFYWVSNOJND-HSBZDZAISA-N 252.402 3.609 30 20 CHED Cc1ccnc(NC[C@@H](c2ccccc2)C2CC2)c1C#N 431476583 IUTHYFZUKPRAKB-KRWDZBQOSA-N 277.371 3.867 30 20 CHED O=[N+]([O-])c1ccccc1NN=C/C=C/c1ccccc1 254685434 UOBWOFALILUNPU-OCFSITRASA-N 267.288 3.706 30 20 CHED CCc1cc(C#N)c(NC(=O)C2C(C)(C)C2(C)C)s1 348142147 HQZIMFGULUZJJE-UHFFFAOYSA-N 276.405 3.803 30 20 CHED O=C(/C=C\c1ccc(-c2ccc(F)cc2)o1)c1cnccn1 255625840 SVWWNFJAVMEDRI-ALCCZGGFSA-N 294.285 3.772 30 20 CHED Cc1ncc([C@H](C)NCCC2(C#N)CCCCC2)s1 602954393 CSZOBYPVUHBVKZ-LBPRGKRZSA-N 277.437 3.966 30 20 CHED CCN(CCC#N)CCCc1c(F)cccc1Cl 447798177 SGYLQJPDXMRNPC-UHFFFAOYSA-N 268.763 3.647 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](CC)OC1CCCC1 606813892 DLPMXGXOCQUHMA-MRXNPFEDSA-N 281.440 3.929 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](COC)c1ccco1 449178775 UOZMSGXHJXMJQQ-KGLIPLIRSA-N 251.370 3.692 30 20 CHED C=CCCCC[C@@H](C)NCCc1scnc1C 449470641 YGBLIVPKXDLAHH-GFCCVEGCSA-N 252.427 3.719 30 20 CHED CCCN(Cc1cccc(C#N)n1)Cc1ccccc1F 602442531 CQEQEBIBMVSUJM-UHFFFAOYSA-N 283.350 3.505 30 20 CHED COc1ccccc1[C@@H]1CC[C@H](C)CN1CC1(C#N)CC1 352246183 NGDKTWIQGPFHFQ-HOCLYGCPSA-N 284.403 3.772 30 20 CHED C=CCN(Cc1cccc(C(F)(F)F)c1)C1CC1 538956953 FBXMSBFVTFWJEY-UHFFFAOYSA-N 255.283 3.856 30 20 CHED O=C(/C=C\c1ccc(-c2ccccc2)o1)c1cnccn1 255527213 QKSQWEWLKAMXIM-VURMDHGXSA-N 276.295 3.633 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1C 449887826 KXJILQQNQMYCAU-JTQLQIEISA-N 271.282 3.708 30 20 CHED C=CCCCC[C@H](C)NCC[C@@H]1CCO[C@@H](C)C1 449237536 BZKAWFNNRLFUQE-HRCADAONSA-N 253.430 3.916 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1 358075240 OGZAHEQHHXUIGZ-OAHLLOKOSA-N 287.403 3.902 30 20 CHED CC1(C)CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1 353331735 OZQKRDUDTLWFDH-UHFFFAOYSA-N 290.794 3.864 30 20 CHED C=CCN(Cc1cnn(CC(F)(F)F)c1)c1ccccc1 355048141 XVZVQVLSXDTAHQ-UHFFFAOYSA-N 295.308 3.638 30 20 CHED Cc1ccc(CSc2nc(C)cc(C)c2C#N)cn1 610748876 OBHIMFCJDFIEHW-UHFFFAOYSA-N 269.373 3.566 30 20 CHED CC[C@@H](CC#N)NC/C(C)=C\c1ccccc1COC 352917375 WWICSHDEZDUJIQ-IFCKCIONSA-N 272.392 3.518 30 20 CHED N#Cc1cccc(Cl)c1NCCCc1nccs1 357593630 CWZLKASZCWTIEQ-UHFFFAOYSA-N 277.780 3.713 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3ccccc3C2)cc1Cl 619748861 WOPRVMACXXQBMI-QGZVFWFLSA-N 296.801 3.859 30 20 CHED C=C(CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 357539741 WWPXYPMKSAIMJW-UHFFFAOYSA-N 279.299 3.592 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@H](CC=C)C1 617787290 LBFLEARWIZEQOI-HNNXBMFYSA-N 285.387 3.680 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cncc3ccccc23)C1 613255942 YBRMTPVZIDIVMT-OCCSQVGLSA-N 251.333 3.729 30 20 CHED N#Cc1ccc(CSCc2nc(CCC3CC3)no2)cc1 357648645 IKZZTJAAEUEEPS-UHFFFAOYSA-N 299.399 3.717 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1CCOc1ccc(C#N)cc1 610002036 XKTMEUGFQOAONQ-YJBOKZPZSA-N 286.419 3.838 30 20 CHED CSc1cc(CNc2cc(Cl)ccc2C#N)ccn1 357206225 WZUNUFWTIBZVRZ-UHFFFAOYSA-N 289.791 3.941 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@@H]2CCCC[C@H]2C(F)(F)F)C1 442775344 ALSYECDRNZTZNO-MROQNXINSA-N 274.330 3.637 30 20 CHED Cc1c(NC(=O)C2(C#N)CC(C)C2)cccc1C(F)(F)F 532379136 VSJVHBRYHDTJEE-UHFFFAOYSA-N 296.292 3.892 30 20 CHED Cc1cc(C#N)ccc1CNC1(c2ccc(F)cc2)CC1 614401878 MHMOZBZCLLDQHT-UHFFFAOYSA-N 280.346 3.785 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(C)c(O)c1C 538286333 OBYIGKIRZSDMJQ-UHFFFAOYSA-N 291.391 3.711 30 20 CHED C[C@]1(NC(=O)C[C@H](CC#N)c2ccccc2)CC=CCC1 458345728 NBQMKYFZJQKAFZ-WMZOPIPTSA-N 282.387 3.689 30 20 CHED N#Cc1cccc(Sc2c(F)cc(F)cc2F)n1 533686806 SZOMDWQBIFPQDT-UHFFFAOYSA-N 266.247 3.522 30 20 CHED CCCCOc1ccc(CN(CCC#N)C(C)C)cc1 535795404 AEJBVCJBNCFZTG-UHFFFAOYSA-N 274.408 3.990 30 20 CHED C[C@@H](CC(=O)Nc1cc(CC#N)ccn1)CC(C)(C)C 610791428 CUSULZPGIOZYFO-LBPRGKRZSA-N 273.380 3.549 30 20 CHED C=CCCC(=O)N(CC)Cc1ccccc1Br 263686637 QDOJWRFQEVCGFN-UHFFFAOYSA-N 296.208 3.764 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C#N)cc1 539827479 DCTAJXVTZDVGSD-BEFAXECRSA-N 276.383 3.936 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H]1CCCCC1(F)F 452307819 HLUPSODQAOCJSK-LLVKDONJSA-N 259.340 3.530 30 20 CHED C[C@H](C[C@@H]1CCOC1)N[C@H]1CCCCc2cc(C#N)ccc21 619508463 YTPLTJKAWKUFIP-ALKREAHSSA-N 298.430 3.730 30 20 CHED C=CCOCCCc1nc(C2(c3ccccc3)CCC2)no1 273913045 DNKGTZIREQUFLE-UHFFFAOYSA-N 298.386 3.675 30 20 CHED CC(C)[C@H](NCc1ccc(C#N)c(Cl)c1)C1CC1 619755488 YXMBRPSPXATFQS-HNNXBMFYSA-N 262.784 3.736 30 20 CHED N#CC1(c2nc(CSCc3ccccc3)no2)CCCC1 273847371 NIAKNCOLLGAHOF-UHFFFAOYSA-N 299.399 3.838 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cncc(F)c1 274316149 CBHITQCBZDDGHN-UHFFFAOYSA-N 283.350 3.505 30 20 CHED CCN(CCC#N)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 611211683 ZAHKPWHMUWBEQS-JTQLQIEISA-N 299.201 3.859 30 20 CHED C[C@@H]1C[C@H](CCNc2c(Cl)cccc2C#N)CCO1 543190411 YLADCCQUYNDFIY-VXGBXAGGSA-N 278.783 3.829 30 20 CHED C[C@H](NCC1=CCCCC1)c1ccc(C#N)c(F)c1 453247645 KHGAZKWVAGOHGF-LBPRGKRZSA-N 258.340 3.848 30 20 CHED Cc1cccc(CN(CC(C)C)C(=O)[C@]2(C#N)C[C@@H]2C)c1 459974628 VSRLPVJWQNPPJH-YJBOKZPZSA-N 284.403 3.529 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NCc1cccc(C#N)c1F 544099352 UCEGHOLPQSPEOJ-UHFFFAOYSA-N 299.305 3.835 30 20 CHED C=C[C@@](C)(CC)C(=O)NC1CCC(CSC)CC1 452484944 VTQUMWJJMQRUEB-PIMMBPRGSA-N 269.454 3.627 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC2(CCCC2)[C@@H]1C(C)C 457105136 CJBIPOSEGRORHS-DOTOQJQBSA-N 293.451 3.642 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(C(C)C)nc2C)n1 453597687 ZARYQIGQWXDPKI-CYBMUJFWSA-N 299.399 3.768 30 20 CHED CCCCCCCCCC(=O)N(C)c1ccn(C)n1 274824614 SZPBSNCNCRHBEP-UHFFFAOYSA-N 265.401 3.524 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)CCC=C(C)C)OCC 452538944 DZBFZYLAZDFGAU-CABCVRRESA-N 267.413 3.609 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1cccc(F)c1F 543412854 RDOWXSAAUMNEIN-QWRGUYRKSA-N 282.334 3.680 30 20 CHED C=C(CC)CNC(=O)Nc1cc(C)ccc1Cl 454960082 KVGBCLHHDZBLFE-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=CCCOCCCCc1nc([C@H](C)c2ccco2)no1 621796204 YQNBBMVHGIWREP-CYBMUJFWSA-N 290.363 3.730 30 20 CHED CC1=C(C)CN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 361358005 UVNLPLDZGDOQQM-KRWDZBQOSA-N 282.387 3.643 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCC[C@H](CC)C1 542186529 VQGOJORXJCTXSD-MELADBBJSA-N 252.402 3.609 30 20 CHED COc1ccc(CNc2cccc3cc[nH]c23)cc1C#N 548140296 RJULMQFSLPDCLE-UHFFFAOYSA-N 277.327 3.660 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccccc1 270497414 YFEHFNXYSCDOSH-FGTMMUONSA-N 296.414 3.725 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccccc1 270333878 MHKCDWJTRWLDLN-KDOFPFPSSA-N 290.366 3.586 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 548616276 VLUPYTXGNQDABN-CYBMUJFWSA-N 290.794 3.720 30 20 CHED C=CCN(C(=O)Nc1ccc(SC)cc1OC)C1CC1 278310310 JPRCZTIABONNMY-UHFFFAOYSA-N 292.404 3.599 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)C(C)(C)C1 546846897 WUYMMRNJVYFJLS-KGLIPLIRSA-N 266.429 3.809 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1COc1ccccc1 465156830 MPYFCJYUBQXHAY-AWEZNQCLSA-N 296.370 3.962 30 20 CHED C[C@@H]1CC(NC2(c3cccc(C#N)c3)CC2)C[C@@H](C)C1 556608283 MHZQWAOPMCFSAM-KBPBESRZSA-N 268.404 3.962 30 20 CHED C=CC[C@H](CC)NC(=O)CSc1ccc(F)c(F)c1 281340911 LLRFGTSMIITBOC-JTQLQIEISA-N 285.359 3.528 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C#N)oc1C 280631037 MCFJKKPYNRJUBF-IAQYHMDHSA-N 274.364 3.501 30 20 CHED C[C@H](C(=O)N1CC[C@H](C)C(C)(C)C1)c1cccc(C#N)c1 462582552 UPRHYUQIQLTWEY-KBPBESRZSA-N 284.403 3.556 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H]2CCC[C@H]21 460959430 OUMVWNOCXLWERD-RBSFLKMASA-N 288.439 3.747 30 20 CHED N#CCc1ccc(COC(=O)[C@@H]2CCCC(F)(F)C2)cc1 283358960 BWADFBWJPMDQOR-CQSZACIVSA-N 293.313 3.621 30 20 CHED COc1ccc(CN(C)CC(C)(C)C#N)c2ccccc12 556910001 RDEUZGFXPGNVLK-UHFFFAOYSA-N 282.387 3.830 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H](C)C3)c2c1 461461662 AEDUSHJBDZBFPR-LBPRGKRZSA-N 279.387 3.960 30 20 CHED C=C(C)C[C@H](C)c1nc(-c2cccnc2N2CCCC2)no1 288830324 BOEAFDZVOLSMJQ-ZDUSSCGKSA-N 298.390 3.802 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1nc(C(C)C)oc1C 289651009 CJQAMFLPQSAYQQ-UHFFFAOYSA-N 291.395 3.651 30 20 CHED C=CCCN1CCC(c2noc3cc(F)ccc23)CC1 289864636 QLOXLIRLMHZVDF-UHFFFAOYSA-N 274.339 3.722 30 20 CHED C=C(CNCc1cn(C(C)C)nc1C)c1ccccc1 281149123 AZNKOJQLPINPRT-UHFFFAOYSA-N 269.392 3.575 30 20 CHED C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)[C@@H]1CCOC1 280897889 CFFQYRIFSUBJKO-JNWOYTSRSA-N 288.174 3.543 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC1(F)F 294523339 YXRAGZNDNBSCHV-SECBINFHSA-N 291.750 3.571 30 20 CHED C=CCCCCCCNC(=O)Nc1cnn(CC(C)C)c1 806313116 HBXUARYPMLJONR-UHFFFAOYSA-N 292.427 3.797 30 20 CHED CN(CCC#N)c1ccc(CN2C[C@H]3CCC[C@@H](C3)C2)cc1 809695032 YCNUWGKRDYLHLE-ROUUACIJSA-N 297.446 3.658 30 20 CHED CC(C)Cc1ccccc1C(=O)OCCCSCC#N 805539067 YNICTALPGBCDJE-UHFFFAOYSA-N 291.416 3.689 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](C)C(C)C)CCCC1(C)C 470303825 RYGUMJGAKVZVAV-ZIAGYGMSSA-N 251.414 3.872 30 20 CHED N#CCCCN1CC[C@H](Sc2cccc(Cl)c2)C1 292461824 QLQNGQOQGNSYDT-AWEZNQCLSA-N 280.824 3.810 30 20 CHED C=CCCC1(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)CC1 565016198 REOQRSGCGHEGNR-GDBMZVCRSA-N 269.388 3.952 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cnc(C(C)C)s1 804833633 DKNGFASRLNVYNM-UHFFFAOYSA-N 298.411 3.542 30 20 CHED C[C@@H]1CC/C(=C/C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 803315351 BRQUKYBQDBJZTG-YGYTWAPGSA-N 295.386 3.817 30 20 CHED CC(C)CC(=NNCC1CCCC1)c1ccccn1 808006260 SNVOHKYJURNUGV-UHFFFAOYSA-N 259.397 3.612 30 20 CHED C#C[C@H](NC(=O)c1cc2cccc(C)c2o1)C(C)(C)C 807878879 GUGJRIYMNOTQMP-AWEZNQCLSA-N 269.344 3.519 30 20 CHED C[C@H](C#N)OCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 801943778 HVUFLXULMIRHGN-OWYHZJEWSA-N 298.430 3.573 30 20 CHED Cc1ccnc(Nc2ccc([C@H]3CCOC3)cc2)c1C#N 292804985 NOOOBRPORMXYKF-AWEZNQCLSA-N 279.343 3.509 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 295129656 NLLZCYSBGXIFFE-AWEZNQCLSA-N 286.419 3.676 30 20 CHED C[C@@H](C#N)OCCSCc1csc(-c2ccoc2)n1 802752261 OYAHPMRVFSLZKU-JTQLQIEISA-N 294.401 3.565 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1OC(F)F 292273754 OBGVCEXBHRKKID-UHFFFAOYSA-N 283.318 3.507 30 20 CHED N#CC1(c2ccccc2)CC(NC[C@@H]2CCCC2(F)F)C1 390706593 VIZUOFBLSAGXHT-FHERZECASA-N 290.357 3.635 30 20 CHED Cc1cc(OC(=O)CSC(C)C)c(C)c(C)c1C#N 809036065 GNZUBMXXPBWLGE-UHFFFAOYSA-N 277.389 3.531 30 20 CHED C=CCCC1(C(=O)NCCc2c[nH]c3cccc(C)c23)CC1 475656753 PRTOMKMRGQFOAY-UHFFFAOYSA-N 296.414 3.881 30 20 CHED COc1ccc(/C=C2\C(=O)c3ccccc3[C@@H]2C)cc1C#N 809157048 QBEFRVDMWKZMON-NJPLLEPOSA-N 289.334 3.950 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(-c2csc(C)n2)cc1 296263224 HHAKPDUAWXYGGL-UHFFFAOYSA-N 299.399 3.606 30 20 CHED Cc1ccc(C)c(OCCCSCCO[C@@H](C)C#N)c1 802749447 CSYSPDORASAEPA-HNNXBMFYSA-N 293.432 3.734 30 20 CHED C[C@H](C#N)OCCSCc1ncc(-c2cccs2)o1 802752985 VRJJTZGSRQCRPQ-SNVBAGLBSA-N 294.401 3.565 30 20 CHED C=CCCCCCCNC(=O)c1ccc(C(C)=O)cc1 805220600 XNVLBJMHSLYETD-UHFFFAOYSA-N 273.376 3.756 30 20 CHED Cc1csc(NC(=O)N2CC[C@@H](C)C[C@H](C)C2)c1C#N 560465737 PASGNXIHAPGBSX-MNOVXSKESA-N 291.420 3.828 30 20 CHED CC(=NOC/C=C/Cl)c1[nH]c(-c2ccccc2)nc1C 811669902 WFGQZPYJYKMYPP-ZCHOPRNZSA-N 289.766 3.878 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H](F)C(F)(F)F 811496319 VJXZHVXCKNVTPE-NSHDSACASA-N 275.245 3.644 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 816021537 RWHDHMZNYNQJFK-AUECHBEKSA-N 291.341 3.902 30 20 CHED Cc1coc(-c2ccc(C)c(NC[C@H](C#N)CCC#N)c2)n1 571552603 USBCYIYCLQLKJI-AWEZNQCLSA-N 294.358 3.814 30 20 CHED C=CCC(F)(F)C(=O)N(CC)c1ccc(CC)cc1 814971699 NOLPMTPJEADSCA-UHFFFAOYSA-N 267.319 3.813 30 20 CHED C=CCCCCN[C@H](c1ncc(C)s1)C1CC1 573176500 ICGMUJMDYVZXEA-ZDUSSCGKSA-N 250.411 3.849 30 20 CHED CCC(=NNCC1(C)CCCC1)c1cccc(N)c1 814937595 LYVDBECDQIHCEG-UHFFFAOYSA-N 259.397 3.553 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccccc1C(F)(F)F 815310615 DLFLMBIPTIQIOM-UHFFFAOYSA-N 294.219 3.960 30 20 CHED C(=NN[C@H]1CCSC1)c1ccc(C2CCCC2)cc1 812229715 NHHTYCDAKPIQGU-INIZCTEOSA-N 274.433 3.773 30 20 CHED CC(C)CCC=NNc1ccc(C(F)(F)F)cn1 814711598 OTTRUKUNGBRDKT-UHFFFAOYSA-N 259.275 3.934 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C3(F)CCCCC3)[nH]c12 810590375 KSPOUNKOBUZCRW-LBPRGKRZSA-N 299.349 3.720 30 20 CHED C1CCC2(CCCC2)C(=NOC[C@H]2CCOC2)C1 814911960 HMCFQPHIUVEPFR-ZDUSSCGKSA-N 251.370 3.530 30 20 CHED C#C[C@@H](NC(=O)C=C(CC)CC)c1ccc(Cl)cc1 812352348 LAGWHTWLBJXNNQ-OAHLLOKOSA-N 275.779 3.877 30 20 CHED CC[C@@H](C)CON=Cc1conc1Cc1ccccc1 814938729 SLMZTUGXAMZORZ-CYBMUJFWSA-N 272.348 3.662 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CC[C@@H](CC)O1 810768739 VOKUMDDAHYVYEL-HUUCEWRRSA-N 267.413 3.587 30 20 CHED CC[C@H](O)CNN=C(C)c1cc2c(ccc3ccccc32)o1 811656635 RJXDMJNNOUKRBZ-AWEZNQCLSA-N 296.370 3.671 30 20 CHED CC1(C)CCC(C(=O)NC2(c3cccc(C#N)c3)CC2)CC1 579967111 QVLXVYKKUYKQPJ-UHFFFAOYSA-N 296.414 3.880 30 20 CHED C=CCC[C@H](NCC(C)(C)CN1CCCC1)c1ccco1 576406001 ICUUZWLOAIERCI-INIZCTEOSA-N 290.451 3.999 30 20 CHED Nc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cn1 821038846 NDMWWVFPJPOHRE-LREOWRDNSA-N 292.260 3.579 30 20 CHED CCC[C@@H](CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 820444391 AUUVCXRZSYJKBB-GXTWGEPZSA-N 258.365 3.562 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1cccc(Cl)c1F 576992295 ZHZWPIRIQIWDQV-GFCCVEGCSA-N 281.758 3.589 30 20 CHED CCc1ccc(C(C)(C)NCc2ccc(C#N)cn2)cc1 574462900 NVWRZUSNMPVXPF-UHFFFAOYSA-N 279.387 3.541 30 20 CHED CC(C)CC1(C)CCN(c2cc(C#N)ccn2)CC1 573876952 JUWATADJGSKCHX-UHFFFAOYSA-N 257.381 3.606 30 20 CHED CC[C@@H](C(=O)Nc1cc(C#N)ccc1OC)c1ccccc1 494141767 RTZBFKNKARVZJG-OAHLLOKOSA-N 294.354 3.699 30 20 CHED CCCCCCCOC(=O)c1cc(C)nc2[nH]nc(C)c12 727000399 CMTUPTYQRKHOJI-UHFFFAOYSA-N 289.379 3.702 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCCOc1ccccc1)CC2 589337178 QCTWMZMSESDAFU-IBGZPJMESA-N 292.382 3.604 30 20 CHED CCC[C@@H](C)CC(=O)Nc1nc2cc(C#N)ccc2n1CC 490773378 LOZSEXFQNCWOCO-GFCCVEGCSA-N 298.390 3.693 30 20 CHED C=CCCCCCN(C)C(=O)c1cn(C(C)C)nc1C 583211483 AIEKVSUDHGYPNU-UHFFFAOYSA-N 277.412 3.591 30 20 CHED COc1cc(C(=O)/C=C/C(C)=C\c2ccccc2)on1 821021041 BPAIQVKNSBANKM-ZLNDROGTSA-N 269.300 3.526 30 20 CHED C=CCN(C)C(=O)CCCOc1ccc(C(C)(C)C)cc1 490080728 QEARCSFUVQWNHZ-UHFFFAOYSA-N 289.419 3.788 30 20 CHED CC[C@@H](NCc1ncc(C)s1)c1cccc(C#N)c1 902822552 XMUSVBTUZMTJEF-CQSZACIVSA-N 271.389 3.564 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)nc2C)C1 823080467 ZJFYNAIRHNSLPZ-GFCCVEGCSA-N 293.798 3.863 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ncoc1CC 739523411 BIEVGDLJMOPFDX-ZDUSSCGKSA-N 280.412 3.963 30 20 CHED Cc1ccc(-c2ccccc2CC2(C(=O)O)CC2)c(C#N)c1 583511260 VXMDYLIXHFBGJN-UHFFFAOYSA-N 291.350 3.941 30 20 CHED CC[C@H](NCc1ccc([C@H](C)O)cc1)c1cccc(C#N)c1 902762011 DLEZXQQVHUCDOL-LIRRHRJNSA-N 294.398 3.852 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C=C1CCC(C)CC1 734101715 DJQPGJOKNHIVNT-UHFFFAOYSA-N 299.389 3.924 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1cc(F)ccc1F 901320433 OPYKSCJDQQSVPU-UHFFFAOYSA-N 292.333 3.805 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N(C)C[C@@H](C)C#N 499104806 ZWUOJDMLJBBWEK-DZGCQCFKSA-N 264.413 3.601 30 20 CHED C=CC[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccncc1 734237325 NSHGDKBDMKTAAC-HNNXBMFYSA-N 291.354 3.610 30 20 CHED N#CCOc1ccc(COC(=O)CCC2CCCC2)cc1 733391358 YCSVEZLLEQWKQD-UHFFFAOYSA-N 287.359 3.603 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2nc(C)cs2)C1 660555386 YIIHMQXHKAPSHP-CHWSQXEVSA-N 293.436 3.510 30 20 CHED CC(C(=O)Nc1sc(C)c(C)c1C#N)=C1CCC1 839217413 XJFWJZPGTPCAEY-UHFFFAOYSA-N 260.362 3.676 30 20 CHED COc1cccc(/C=C2\Cc3ccc(C)cc3C2=O)c1 730949399 VIJYEKMRHOQNSA-OQLLNIDSSA-N 264.324 3.826 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(F)c1SC 667413425 AVOUXSSLAZRZEP-UHFFFAOYSA-N 268.357 3.587 30 20 CHED CC[C@H](NCCc1ccncc1C)c1cccc(C#N)c1 902888566 UBCFPDGAXGOYKG-SFHVURJKSA-N 279.387 3.545 30 20 CHED C=C(Cl)CNC(=O)/C=C(/C)c1ccccc1Cl 736242189 KKXDCJLDFFDVEC-CLFYSBASSA-N 270.159 3.612 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)C2CCCC2)cc1 589078423 JNGCZVZSEUORKV-SUMWQHHRSA-N 284.403 3.756 30 20 CHED CCOc1cccc(C=Nc2ccc(COC)cc2)c1O 588595776 JOBFYNVWDCLBFK-UHFFFAOYSA-N 285.343 3.688 30 20 CHED CCC(CSc1ccc(Cl)cc1)=NN1CCOCC1 734296634 SLZCILVKMRVMQW-UHFFFAOYSA-N 298.839 3.530 30 20 CHED CC(C)c1ccc(NN=Cc2cnc([C@@H](C)O)s2)cc1 835018331 LVZYQNFSBPQISE-LLVKDONJSA-N 289.404 3.766 30 20 CHED CCCN(Cc1ccccc1)C(=O)CCCCCC#N 588272548 NPXUSRJSYNOUGJ-UHFFFAOYSA-N 272.392 3.899 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc(O)cc2)s1 731155914 WOAADORSHRFVMW-MDZDMXLPSA-N 258.342 3.912 30 20 CHED CCCC1(CN[C@@H]2CCc3ccc(C#N)cc32)CC1 581161358 WGDOVRDHCQLYHI-MRXNPFEDSA-N 254.377 3.715 30 20 CHED C=CCOc1ccccc1C/N=C\c1ccccc1O 731937691 NCQFWQGEFHXOQY-PDGQHHTCSA-N 267.328 3.576 30 20 CHED C=CCOC(=O)[C@@H](C)Sc1ccccc1Cl 917322227 IFIMIBDLXYDVHB-SECBINFHSA-N 256.754 3.550 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(C)c(Cl)c1Cl 837920551 LIPIRMBFQDPOSV-QMMMGPOBSA-N 272.131 3.761 30 20 CHED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccnc(O)c1 590141615 WBKBCDJSQVAQQQ-LLVKDONJSA-N 296.374 3.524 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 593399818 RQNXWAAGMDEDDV-RKDXNWHRSA-N 285.174 3.720 30 20 CHED N#Cc1ccccc1CSCc1cc2n(n1)CCCC2 593186861 ZVQGTSZPRPQTBN-UHFFFAOYSA-N 283.400 3.524 30 20 CHED N#Cc1ccc(CCN2CCC[C@H]2c2cccs2)cc1 595288539 NJJWPGXQFORUSS-INIZCTEOSA-N 282.412 3.999 30 20 CHED CC(=NNc1ccc(Br)cc1)c1ccncc1 912822108 JQZXFOJUQUEIDM-UHFFFAOYSA-N 290.164 3.680 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 593892868 KGEFIIIFWXRCFA-VIFPVBQESA-N 270.254 3.502 30 20 CHED CC(C)c1ccc(CCC(=O)N(C2CC2)[C@@H](C)C#N)cc1 598132603 REKBCKHBTLEOJM-AWEZNQCLSA-N 284.403 3.646 30 20 CHED CC/C(=C/C(=O)N(CCC#N)CC1CC1)c1ccc(C)cc1 741686443 HFJMCSSGNNUIQZ-LGMDPLHJSA-N 296.414 3.941 30 20 CHED C#CCCCCCC(=O)NCCC[C@@H]1CC1(Cl)Cl 844960290 FYPFSFCZSYRMOP-GFCCVEGCSA-N 290.234 3.660 30 20 CHED CC[C@@H](CC(F)F)Cn1cc(C#N)c(=O)c2ccccc21 594890936 KLSWFACAEWQWAE-NSHDSACASA-N 290.313 3.555 30 20 CHED C[C@H]1CCCN1Cc1ccc(-c2cncc(C#N)c2)cc1 592984836 BIOARESLEUPHTB-AWEZNQCLSA-N 277.371 3.605 30 20 CHED Cc1ccc(CSc2ncn(CC3(CC#N)CC3)n2)cc1 596266670 TVNIDQONCCKPNJ-UHFFFAOYSA-N 298.415 3.573 30 20 CHED Cc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)s1 915988698 BYRUDGPOBXFKDA-QPEQYQDCSA-N 272.325 3.687 30 20 CHED Clc1ccc(C=NOCc2cccnc2)c2ncccc12 746586071 QVVRUSORCFMIDX-UHFFFAOYSA-N 297.745 3.834 30 20 CHED C#C[C@H](OC(=O)c1sc(CC)nc1C)c1ccccc1 842365082 ITZJWOWGYCKXKV-ZDUSSCGKSA-N 285.368 3.545 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)co1 844553775 XFVFSZXEQUPEGE-VOTSOKGWSA-N 299.374 3.782 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 916269104 RFUJYHZBKMAZMH-UHFFFAOYSA-N 273.267 3.570 30 20 CHED CN(Cc1ccsc1)C(=O)CC1(C#N)CCCCC1 596670119 ANBGMMSCHIFSTC-UHFFFAOYSA-N 276.405 3.571 30 20 CHED CCCCCCCC(=O)NCc1ccc(-n2cccn2)cc1 915864309 HUFMRGSSKMAQBB-UHFFFAOYSA-N 299.418 3.849 30 20 CHED CC(C)[C@H](C)C(=O)OCC#Cc1ccc(Cl)cc1 749196983 ZFTYPEMOKDXLMU-LBPRGKRZSA-N 264.752 3.527 30 20 CHED CC(C)CSCCCNC(=O)CC1(C#N)CCCCC1 597442397 JBJGETXRLRCMPU-UHFFFAOYSA-N 296.480 3.746 30 20 CHED CC(C)N(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CCCC1 593957972 QHRNUEHZLNAKMQ-HNNXBMFYSA-N 298.430 3.916 30 20 CHED CC(C)Oc1ccc(N=Cc2cccc(O)c2O)cc1 915983377 ZQAFVGKQGFTXQY-UHFFFAOYSA-N 271.316 3.636 30 20 CHED C=CCCC(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 591275340 PUOABKVWVDILKN-MRXNPFEDSA-N 275.367 3.716 30 20 CHED CO[C@@H](C=NNc1nc2ccccc2s1)CC(C)C 841605633 YTMVBSLBENXRBG-LLVKDONJSA-N 277.393 3.755 30 20 CHED Cc1cc(F)c(C=NO[C@H]2CCCCO2)c(Cl)c1 841631991 IEMLFNARISZNFA-ZDUSSCGKSA-N 271.719 3.665 30 20 CHED C[C@H](C/N=C\c1ccccc1O)Sc1ccccc1 743044895 TUHMVFUFEWDCHX-KAECEXQPSA-N 271.385 3.992 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1ccccc1C 744067059 IYQSQKLAGPYUJI-AWEZNQCLSA-N 262.349 3.582 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCOc2cc(F)ccc21 925972354 FNWOUCSBJMNZFX-SWLSCSKDSA-N 290.382 3.957 30 20 CHED C#CCCCCNC(=O)N[C@@H](CC)c1cccc(Cl)c1 758691580 RVAFEGKCXXENRS-HNNXBMFYSA-N 292.810 3.894 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cccc3c1OCCO3)C2=O 921269964 QFWNYNMVDBRGSJ-GDNBJRDFSA-N 292.334 3.589 30 20 CHED C[C@@H](CC(=O)OCc1cc(C#N)ccc1F)c1ccco1 859817178 DVCLGNVETMFRBK-NSHDSACASA-N 287.290 3.527 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1csc2ccccc12 756970858 HCIXNUUWRRGCED-MNOVXSKESA-N 274.389 3.836 30 20 CHED Cc1cc(C)cc(C=NNc2ccc(C(F)(F)F)nn2)c1 754709638 AAEYMLJHFPEHIQ-UHFFFAOYSA-N 294.280 3.558 30 20 CHED COc1ccc(N[C@H]2CC[C@@H](C#N)C2)c2ccccc12 858522631 CHZXSSSRMFRXRN-OLZOCXBDSA-N 266.344 3.953 30 20 CHED C=CCN(C)C(=O)Nc1cc(C(C)(C)C)ccc1OC 681766384 UPHDHXNBELLHGK-UHFFFAOYSA-N 276.380 3.642 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C#N)o1 928385379 OQXPESZEAVRSNL-CJNGLKHVSA-N 294.354 3.560 30 20 CHED C=CCN(C(=O)C[C@]1(C)CC1(Cl)Cl)C(C)(C)C 857653711 JXFNBWBFXWBMMK-GFCCVEGCSA-N 278.223 3.774 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1C[C@@H]1Cc1ccccc1 925468074 YNTREXPCZINQSV-KBMXLJTQSA-N 256.393 3.536 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1c1c(C)cccc1C 852278303 VZCYCJZJANDLGG-JKSUJKDBSA-N 284.403 3.562 30 20 CHED Clc1cnc(NN=C2CCCC23CCCC3)nc1 857220587 LEDSMXLXPKMDGJ-UHFFFAOYSA-N 264.760 3.642 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccccc1OC(F)F 851211673 BHDWDEZOEOZMOQ-SNVBAGLBSA-N 297.301 3.773 30 20 CHED CN(CCC#N)c1ccc(CN2CC[C@H](C(C)(C)C)C2)cc1 753592654 ZGECUHBUZNIMIJ-KRWDZBQOSA-N 299.462 3.904 30 20 CHED C#CCCCCNC(=O)[C@@H](CC(C)C)c1ccccc1 758639236 FGFOSLKXRURAJR-KRWDZBQOSA-N 271.404 3.736 30 20 CHED COc1ccc(C=NNc2c(C)cccc2F)s1 769839371 BWHZNCFCZHLTJV-UHFFFAOYSA-N 264.325 3.650 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@H](c1cccnc1)C(C)C 934323804 YTGGEKZXNPDBRO-HOCLYGCPSA-N 274.408 3.540 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)[C@@H]1CCOC1 763177972 AYTAFKFTLXFWTM-SECBINFHSA-N 273.163 3.818 30 20 CHED C=CCOCSc1nnc(-c2c(C)cc(C)cc2C)o1 865356296 YFBCVSLRWVUWTM-UHFFFAOYSA-N 290.388 3.914 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(N(C)C)cc1 769335499 KJUMITODHXEGAG-UHFFFAOYSA-N 287.451 3.904 30 20 CHED C[C@H]1CC(=NNc2ccc(F)c([N+](=O)[O-])c2)CC[C@H]1C 769821879 FGWCUAOOGHJYNZ-ZJUUUORDSA-N 279.315 3.958 30 20 CHED CC(C)Oc1ccc(N[C@H](C)C[C@H]2CCOC2)cc1C#N 768518940 JIBSWXWITVBMDV-ZIAGYGMSSA-N 288.391 3.572 30 20 CHED Fc1ccc(/C=C/C=NNCC(F)(F)C(F)(F)F)cc1 863181025 FPMTVOFNRZCWOX-NJTQYUCVSA-N 296.214 3.612 30 20 CHED CCCCCCCNC(=O)Nc1cccc([S@@](C)=O)c1 860636636 AWKYXGYFJBZNEM-HXUWFJFHSA-N 296.436 3.516 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccc(F)c1)CCO2 763102277 VPSGTVCKDVVSME-LCYFTJDESA-N 298.313 3.883 30 20 CHED Clc1cccc(Cl)c1NN=Cc1ccncc1 763188311 PALRXRWCULFXOD-UHFFFAOYSA-N 266.131 3.834 30 20 CHED CC(CSc1ccccc1[N+](=O)[O-])=NNC1CCCC1 765572430 RFAOPAQGMIMTAM-UHFFFAOYSA-N 293.392 3.595 30 20 CHED Cc1cncc(C(=O)/C=C\c2cccc(F)c2F)c1 767365814 HCQPKTQHOYJDGK-WAYWQWQTSA-N 259.255 3.564 30 20 CHED CCCCCCCCNC(=O)NC1C[C@H](C)O[C@@H](C)C1 767239941 CSXMSRCFSFSOPU-KBPBESRZSA-N 284.444 3.602 30 20 CHED C#CCCNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 760287086 FGPGPZGXVGUBBR-UHFFFAOYSA-N 281.315 3.774 30 20 CHED C#CCCCCNC(=O)[C@@H](CC)C1CCC(C)CC1 763509895 VNHNKPSGNALJKX-GPANFISMSA-N 263.425 3.759 30 20 CHED CC#CCCOC(=O)[C@H](Oc1ccccc1)c1ccccc1 760289208 JQUAEVNFEQLGDR-GOSISDBHSA-N 294.350 3.763 30 20 CHED N#CCCCCOC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 766367033 YZAVWNOOOUHEMM-KCNJBTMXSA-N 279.355 3.532 30 20 CHED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1cscn1 769261606 SDEOFGKRGZRKMB-JHMJBTLWSA-N 286.312 3.504 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CCc2c(C)cccc21 772987975 NLICDIAEHXKUFN-LJQANCHMSA-N 291.394 3.784 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3ccc(C)cn23)c(O)c1 771859571 NTSJJTCLKMIRNJ-FNORWQNLSA-N 292.338 3.553 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2cscn2)cc1 776191679 FUUWDNQZOMXUQY-SREVYHEPSA-N 295.367 3.738 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C1\CC[C@@H](C)C1 778985823 WEEDXPZIQVYEOD-SXWSKBOKSA-N 273.376 3.583 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(Cl)cn2)c1 774387568 GITBHNWMFYMXTB-UHFFFAOYSA-N 293.729 3.719 30 20 CHED CC[C@@]1(C)CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 878188827 UUKWTCMLNURIGD-OALUTQOASA-N 298.430 3.549 30 20 CHED N#Cc1ccc(F)c(COC(=O)C2=CCCCCC2)c1 774137851 KXDPIDHGZLCQEX-UHFFFAOYSA-N 273.307 3.631 30 20 CHED CCCCCC[C@@H](CC)C(=O)OCC1(C#N)CC1 775860256 WQCKQEAKAYHMMV-CYBMUJFWSA-N 251.370 3.830 30 20 CHED Cc1ccc(OCC#Cc2ccc(F)cc2)c(Cl)n1 777551265 LZQLOBPMHYYNCH-UHFFFAOYSA-N 275.710 3.613 30 20 CHED C=C1CCC(C(=O)N[C@@](C)(CC)c2nc(C)cs2)CC1 889196431 OAKJRIPLCZYNDF-INIZCTEOSA-N 292.448 3.939 30 20 CHED C(=NOC1CCCCC1)c1c(C2CC2)nc2sccn12 777458928 LDSXEWIEVFWTIE-UHFFFAOYSA-N 289.404 3.956 30 20 CHED C=CCC[C@@H](C(=O)OCCCCC#N)c1ccccc1 778558495 BIYSXRAOTZKEHL-MRXNPFEDSA-N 271.360 3.973 30 20 CHED C=C1CCC(C(=O)Nc2cnc(Cl)cc2C)CC1 889589892 ZOEHAJUMIBZHOH-UHFFFAOYSA-N 264.756 3.728 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2cncc(Cl)n2)C1 783823816 JTYOADVVBZPFAS-MNOVXSKESA-N 266.776 3.744 30 20 CHED CSc1ccccc1CC(C)=NNc1ccccn1 782897720 CDUHWBMOKZVBEW-UHFFFAOYSA-N 271.389 3.834 30 20 CHED N#Cc1cccc(C2(NC[C@H]3CCc4ccccc43)CC2)c1 780313958 UNPPTOSJIOTVND-QGZVFWFLSA-N 288.394 3.867 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1ccc(C)c(F)c1 782418136 KEDMOKIKZUYPAP-ZDUSSCGKSA-N 278.396 3.871 30 20 CHED C/C(=C\C(=O)Nc1ccccc1O[C@@H](C)C#N)C(C)(C)C 780147409 GYPDKRHWEZCUGX-XSNHNAGMSA-N 286.375 3.908 30 20 CHED CCOCCON=C1CC[C@](C)(c2ccccc2)C1 780241337 OAHMDBFNADSMPI-INIZCTEOSA-N 261.365 3.537 30 20 CHED CCCCCC=NNc1nnc(-c2ccccn2)s1 788030121 KGEMPWITSYPQGN-UHFFFAOYSA-N 275.381 3.578 30 20 CHED C#Cc1ccc(NCc2ccccc2COC(C)C)nc1 1120880901 SSKFWNWGGPRXTI-UHFFFAOYSA-N 280.371 3.600 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccccc1SC1CCCC1 789837011 UYDZCLATBLPARL-LBPRGKRZSA-N 288.416 3.865 30 20 CHED O=C(O)[C@@H]1CCC(=NOC2CCCCC2)c2ccccc21 789051528 RUJGPJZJMXMZEQ-OAHLLOKOSA-N 287.359 3.702 30 20 CHED CCCc1nc(C)c(C(=O)OCCCC(C)(C)C#N)s1 782883319 HEXQSWVOQQHGLR-UHFFFAOYSA-N 294.420 3.891 30 20 CHED N#CC1(CCCC[S@](=O)Cc2ccccc2)CCC1 899274677 AXDPKMKIVXKTLQ-IBGZPJMESA-N 275.417 3.799 30 20 CHED CCCC[C@H](CC)CNC(=S)N1CCC[C@](C)(C#N)C1 783774537 XRRZEGQXXDTCNZ-GOEBONIOSA-N 295.496 3.703 30 20 CHED CCc1cc(Br)ccc1NN=C1CCO[C@H]1C 783871203 BMBGTMLRRRIFHE-VIFPVBQESA-N 297.196 3.588 30 20 CHED CCn1cc(/C=C2/C(=O)c3ccccc3[C@H]2C)c(C)n1 899374375 OAFAZPHQVKKGEU-LKBVRNOZSA-N 266.344 3.595 30 20 CHED N#Cc1cc(F)ccc1N[C@H](c1ccccn1)C1CC1 895794413 WILWWNVUZIVASK-INIZCTEOSA-N 267.307 3.656 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H](c1ccccc1)c1cnn(C)c1 892959868 JZVMIJQFRNXVNJ-KRWDZBQOSA-N 298.386 3.655 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2nc(-c3ccncc3)no2)C1 783840438 JFOAEVGTLKWPKW-STQMWFEESA-N 299.378 3.746 30 20 CHED C=CCCCCCOC(=O)c1cc(C(C)C)no1 783671916 DIKAFFAURPQUBY-UHFFFAOYSA-N 251.326 3.701 30 20 CHED C=C1CCC(c2nc(-c3ncc(C)s3)no2)CC1 896423279 DQTUJYFOSLXCJB-UHFFFAOYSA-N 261.350 3.715 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 1132219623 NBSUCBZFWACBJO-WFASDCNBSA-N 274.339 3.852 30 20 CHED CC(C)[C@@H](CC(=O)Nc1ncc(C#N)s1)c1ccccc1 896479296 BKQDETUAVKGMCG-CQSZACIVSA-N 299.399 3.783 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)oc1C 799896141 GQIBYSUESCMXEN-VOTSOKGWSA-N 271.272 3.701 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 799210885 FIXMXFDFISQACB-VIFPVBQESA-N 297.742 3.724 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccc(Cl)cn2)no1 896957231 SOPDQTHANUYNJS-UHFFFAOYSA-N 263.728 3.540 30 20 CHED CCOCCON=C(C)[C@@H](C)c1ccc(Cl)cc1 794535913 LYSBCBMBZUCMLY-LLVKDONJSA-N 269.772 3.873 30 20 CHED COCCCON=C1CC(c2cccc(Cl)c2)C1 795055599 NEXBVOIQVIRDCN-UHFFFAOYSA-N 267.756 3.627 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nc(CCCCF)no1 897202218 SRXNYPWBPRQSTP-GFCCVEGCSA-N 287.338 3.580 30 20 CHED COCCCCCSCc1ccc(C#N)cc1C 186083373 IODUOJSDJAZPOM-UHFFFAOYSA-N 263.406 3.917 30 20 CHED CC(C)C[C@@H](C)C=NNc1oc(C(C)(C)C)nc1C#N 799109575 GFAZDKMZFBSJJJ-LLVKDONJSA-N 276.384 3.924 30 20 CHED C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@H](C#N)C(C)(C)C 797270101 RFRXOQDNZAVVBJ-XJKSGUPXSA-N 298.386 3.759 30 20 CHED COc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1C#N 799496899 ABJAGTLQFUIICR-QPEQYQDCSA-N 293.297 3.528 30 20 CHED C#C[C@@H](NC(=O)c1c(-c2ccccc2)oc(C)c1C)C(C)C 799044062 LEFGODWGBVFNKC-MRXNPFEDSA-N 295.382 3.951 30 20 CHED C=C[C@H](OC(=O)c1ccc(-c2n[nH]c(C)n2)cc1)C(C)(C)C 798906058 GDKLSFFVSZQOBS-AWEZNQCLSA-N 299.374 3.538 30 20 CHED C[C@@H]1CSC[C@@H]1/N=C/c1c(O)ccc2ccccc12 794675498 COWVMSNQKYUXAV-LAXNOKPOSA-N 271.385 3.716 30 20 CHED CC[C@H](C)NN=Cc1ccc(OC)c(O[C@@H](C)CC)c1 790183812 OHMNKCLGDBSPEM-STQMWFEESA-N 278.396 3.595 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 714395147 QJDVNOZDIRTWNO-KLHDSHLOSA-N 261.409 3.511 30 20 CHED CCOc1cccc(NC(=O)Nc2cc(C)cc(C#N)c2)c1 1219116336 UXNIZESFAVGMBP-UHFFFAOYSA-N 295.342 3.909 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC(C)(C)c1cccs1 695793071 XTUQCPLIXJYAIG-LBPRGKRZSA-N 264.438 3.944 30 20 CHED CC[C@H](Cc1ccc(F)cc1)Nc1ncc(C#N)cc1F 1307164472 RAGBRZDVARFZAT-CQSZACIVSA-N 287.313 3.665 30 20 CHED CCN(CCC#N)[C@H](C)c1nccc2ccccc12 1308661492 CSFNCCFYBBFMCY-CYBMUJFWSA-N 253.349 3.531 30 20 CHED C[C@H]1c2ccc(Cl)n2CCN1Cc1cccc(C#N)c1 787652328 MCMDQSRTJCHPFC-LBPRGKRZSA-N 285.778 3.590 30 20 CHED C[C@H]1CCN(c2c(Br)cccc2C#N)C[C@@H]1C 1651652257 SMOYKXBMQAIGIV-QWRGUYRKSA-N 293.208 3.803 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)CC(C)(C)C#N 1321036203 UZQARZUBDZTOFF-KFWWJZLASA-N 278.440 3.751 30 20 CHED CC[C@H](CCc1ccccc1)Nc1cccc(CC#N)n1 1329752612 FAPSGDYDLAKAPH-MRXNPFEDSA-N 279.387 3.971 30 20 CHED N#Cc1ccc(-c2nnc([C@H]3CC4CCC3CC4)o2)cc1 1329324710 WRXDHRGIXPUFCS-HGMXIMQMSA-N 279.343 3.902 30 20 CHED CCC(=NOC(C)(C)C)c1cccc([N+](=O)[O-])c1 1323131191 GVPIZMXLYVCJGD-UHFFFAOYSA-N 250.298 3.524 30 20 CHED CN(C(=O)CC1CC(F)(F)C1)c1ccc(C#N)c(Cl)c1 1330561469 YGRXQVDLLDUIPQ-UHFFFAOYSA-N 298.720 3.610 30 20 CHED Fc1ccc(CNN=C/C=C/c2ccc(F)cc2F)cc1 1337814679 IVADEAJSQUJTAD-XJGNLEOYSA-N 290.288 3.893 30 20 CHED CC(C)c1cc(C(=O)N(C)[C@H](C)CC#N)c2ccccc2n1 1337809528 UVOYYVLYTJHLKA-CYBMUJFWSA-N 295.386 3.732 30 20 CHED C=CCCOC(=O)c1[nH]c2ccc(C)cc2c1Cl 1339379933 YXAMDKNNKJHXIA-UHFFFAOYSA-N 263.724 3.863 30 20 CHED C[C@H]1CCc2nc(C=NNc3ccccc3)sc2C1 1330306069 WNLDULUYOQDLHJ-NSHDSACASA-N 271.389 3.714 30 20 CHED N#Cc1ccc(F)c(C(=O)N(CC2CC2)c2ccccc2)c1 1265704378 JFPMEBMUBFOUGY-UHFFFAOYSA-N 294.329 3.754 30 20 CHED C=C[C@@H](OC(=O)[C@@H]1CCOC(C)(C)C1)c1ccccc1 1346490160 YZVFKENICYLNAI-HUUCEWRRSA-N 274.360 3.662 30 20 CHED N#CC[C@@H](OC(=O)[C@H]1CCc2ccccc2C1)c1ccco1 1263660540 IZEJNMBHURFRRK-DOTOQJQBSA-N 295.338 3.583 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)c1c[nH]cc1C)c1cccs1 1346404971 XOQCQAAEOUUROY-RISCZKNCSA-N 288.372 3.833 30 20 CHED C#CCC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)CCCCC1 1261269339 KZBGQMVJJVCSJC-XSLAGTTESA-N 297.442 3.631 30 20 CHED C=CCn1c(C(F)F)nnc1N1C[C@@H](C)c2ccccc21 1340547490 NTLVYEVDXLDNDK-SNVBAGLBSA-N 290.317 3.657 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cnc(-c2ccccc2)s1 1349907915 WCHUXEPAWZUVSI-CYBMUJFWSA-N 299.399 3.574 30 20 CHED CCCCCCCC(=O)N(C)Cc1ccc(O)cc1 103324854 IHUVXLNPKGILFD-UHFFFAOYSA-N 263.381 3.711 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(C#N)cc2F)cc1 1355564804 CLFZQXMWIXZLMC-CYBMUJFWSA-N 296.345 3.839 30 20 CHED Cc1ccc(CNC(=O)[C@H](CC#N)c2ccccc2)c(C)c1 1358225157 ZREAMSKSFWTDIP-GOSISDBHSA-N 292.382 3.617 30 20 CHED C[C@@H]1Cc2ccccc2N(Cc2ccccc2C#N)C1 109586524 UOAHXNDKCIKKRI-CQSZACIVSA-N 262.356 3.757 30 20 CHED N#Cc1ccc(COc2ccccc2Br)s1 1613175784 BBLUQBAXQBMAQC-UHFFFAOYSA-N 294.173 3.961 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(CC)C[C@H](C)CC 1705752598 ATFGIDVWWHSWIW-LLVKDONJSA-N 296.846 3.780 30 20 CHED CCCC[C@@H]1CCC[C@@H]1Nc1cc(C#N)nc(CC)n1 1472685004 JWTLNBPMNMRQKU-OCCSQVGLSA-N 272.396 3.681 30 20 CHED Cc1nc(NC2(Cc3cccc(F)c3)CCC2)ccc1C#N 1559171839 IOWQYRBXDBZBEM-UHFFFAOYSA-N 295.361 3.978 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@H](C)C1 1562909588 UFAZYNGICLOSJN-HFAKWTLXSA-N 289.354 3.644 30 20 CHED CC[C@H](NC[C@H](C#N)CCC#N)c1ccc(C)c(F)c1 1642556660 SMOZKTHUBRPACS-BBRMVZONSA-N 273.355 3.618 30 20 CHED CCCC1CCC(N(C)c2cc(C#N)nc(CC)n2)CC1 1655445627 VMZBJHKLBBEHRA-UHFFFAOYSA-N 286.423 3.706 30 20 CHED Cc1cccc2[nH]c(CNCc3ccc(C#N)c(F)c3)cc12 1659457836 IHQGDHAMFAYLQB-UHFFFAOYSA-N 293.345 3.777 30 20 CHED N#Cc1cnc(NCc2cccc3ccccc23)c(F)c1 1651500362 KONLBDMLFCXAIH-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C[C@H]1C[C@H](N2CCC[C@H](C#N)C2)c2ccsc2S1 1659993022 NVHZQNVKMCKGNI-LOWVWBTDSA-N 278.446 3.909 30 20 CHED COc1ccc(COc2cc(C#N)ccc2C)cc1F 229948091 KIZGTPDSKRIMCI-UHFFFAOYSA-N 271.291 3.593 30 20 CHED N#Cc1cc(=Nc2ccc(Nc3ccccc3)cc2)cc[nH]1 1651309245 JGUNDUJAVFKVAQ-UHFFFAOYSA-N 286.338 3.862 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)Nc1n[nH]c(C)c1C#N 1584800830 PPVRLJCKYGOVJE-ZDUSSCGKSA-N 288.395 3.525 30 20 CHED CC(C)c1[nH]c(CNc2ccc(CC#N)cc2)cc1C(=O)O 1591917792 CPZJPHVGHKUEQB-UHFFFAOYSA-N 297.358 3.514 30 20 CHED CCCCCCC[C@@H](C)CNc1ccc(C(=O)O)nn1 1595704957 LZCDQQXJOZFTLG-GFCCVEGCSA-N 279.384 3.583 30 20 CHED CC1(C)C[C@H]1CNc1c(C#N)cnc2ccccc12 230905470 CKZVNYODXYNWJR-LBPRGKRZSA-N 251.333 3.564 30 20 CHED CS[C@@H]1CCC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1 245933653 SWBKHARZPMUKLB-DAXOMENPSA-N 274.433 3.883 30 20 CHED CCC[C@H](C)C(CC)=NNc1ccccc1C(=O)O 1776030188 OMXADJRYJBKLHZ-NSHDSACASA-N 262.353 3.999 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)o2)c(F)c1 1777433803 OZVZEBWTYREKCI-XQRVVYSFSA-N 288.274 3.630 30 20 CHED CCOc1ccccc1C=NNc1cccc(C(=O)O)c1C 1776086139 DCTTXDVEGFBNFQ-UHFFFAOYSA-N 298.342 3.538 30 20 CHED Cc1ccc(C(=O)O)cc1C(=O)/C=C/c1cccs1 1777436276 DBOVYCYLLVJSSN-VOTSOKGWSA-N 272.325 3.651 30 20 CHED Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1Cl 15122387 JJIJTZVAGKDTEQ-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C#Cc1cccc(NCc2cc(Cl)ccc2O)c1 19876948 KBORQCBCJQKUBY-UHFFFAOYSA-N 257.720 3.639 30 20 CHED CCCCN(C)Cc1cn(CCC#N)nc1-c1ccccc1 158150845 IXGHTGBQRKOSPJ-UHFFFAOYSA-N 296.418 3.696 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](CC)c2ccncc2)cc1 163680446 RVOARVSFMUEFKB-HNAYVOBHSA-N 294.398 3.896 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NCCCC(C)(C)C#N 152544031 AAVDFEFLMODYBC-UHFFFAOYSA-N 275.352 3.954 30 20 CHED CCCCCCCON=C1CCC2(CC1)OCCO2 153248109 ZPLQVQRWIMROMP-UHFFFAOYSA-N 269.385 3.647 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 156168211 CCZWOQMIMJIQEH-LLVKDONJSA-N 298.346 3.519 30 20 CHED CC[C@@H](c1ccc(F)cc1F)N(CC)C[C@@H](C)C#N 155214284 JGYMUVOGXBVWRZ-NHYWBVRUSA-N 266.335 3.897 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccccc1OC(C)(C)C 157457611 ICRKYFPWCZQREB-GFCCVEGCSA-N 289.379 3.678 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(O)nc2ccccc12 156756704 MERDNKZXDWYXAO-UHFFFAOYSA-N 298.386 3.759 30 20 CHED CC(C)(O)CCSc1ccc(C#N)c(C(F)(F)F)c1 159592447 VDGXEXJGQMUSMA-UHFFFAOYSA-N 289.322 3.830 30 20 CHED CC(C)(C#N)CCCCSc1nnc2n1CCCCC2 232525876 WGUJXSOWOLDKDG-UHFFFAOYSA-N 292.452 3.817 30 20 CHED C=CCN(CCSc1ccccc1F)C(C)C 917069124 IPQCXHRDSIZAFY-UHFFFAOYSA-N 253.386 3.814 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H]([C@H](C)N)C1 818565196 QPVCFYAVUJKKEY-JKSUJKDBSA-N 282.472 3.713 30 20 CHED N#Cc1cc(F)ccc1NCc1cccc2[nH]ccc12 126228752 ILJSHQRKAMIURO-UHFFFAOYSA-N 265.291 3.791 30 20 CHED C[C@@H](NCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 35256340 LMVWYCWXIUBLDI-LLVKDONJSA-N 272.298 3.687 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1cc(F)ccc1F 35256181 YAVUVEVTVHEVMG-NSHDSACASA-N 272.298 3.687 30 20 CHED CC(C)CN(CC(C)C)C(=O)Nc1ccc(C#N)cc1 47333854 JKOYXUWCFXIBLW-UHFFFAOYSA-N 273.380 3.704 30 20 CHED C=C(C)CN(CC)Cc1cc(-c2ccccc2)no1 54115334 BLYARMUBVRUSGC-UHFFFAOYSA-N 256.349 3.740 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCC[C@H]1C 58453655 KTZSXWAIQABFBM-RISCZKNCSA-N 271.364 3.567 30 20 CHED C#CCCCN[C@@H](C)c1ccc2ccccc2c1O 185581362 QRCZAFGJYHEPRM-ZDUSSCGKSA-N 253.345 3.609 30 20 CHED CC[C@H](CC(C)C)C(=O)N(C)Cc1cccc(C#N)c1 308053252 IMYDBIFFALCDDD-MRXNPFEDSA-N 272.392 3.589 30 20 CHED C=CC[C@H](CC)Nc1cncc(Br)c1 308509192 KCWQDYVAOJNCOY-JTQLQIEISA-N 255.159 3.611 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2c(c1)CCCCC2 404685881 LSYBQBQLCUEKNH-QGZVFWFLSA-N 270.376 3.834 30 20 CHED C[C@@H](C#N)OCCOc1ccc(-c2ccccc2)cc1 312324866 HVKRHHXLLNZFOF-AWEZNQCLSA-N 267.328 3.661 30 20 CHED Cc1cccc(C)c1CNc1cccc(CC#N)c1 313481240 QWKOZNDOZQMYTL-UHFFFAOYSA-N 250.345 3.982 30 20 CHED COc1ccc(CNCc2cccc(Cl)c2)cc1C#N 87824192 PTUGARMLATZQLV-UHFFFAOYSA-N 286.762 3.510 30 20 CHED CS[C@@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 439444189 AUVMSVRCDYZWDX-CQSZACIVSA-N 294.851 3.929 30 20 CHED C#C[C@@H](NC(=O)CCc1ccc(C)c(Cl)c1)C(C)(C)C 702236986 UUQRYTCDVKJQNH-OAHLLOKOSA-N 291.822 3.745 30 20 CHED CCOC1CCC(Nc2cc(C)cc(C#N)c2)CC1 597147264 IGJSUSGAANZUPU-UHFFFAOYSA-N 258.365 3.626 30 20 CHED CCCCCCCCNCc1ccnn1C(C)C 394589068 DHSMPEPEQUQRFL-UHFFFAOYSA-N 251.418 3.914 30 20 CHED C=C(Cl)CS[C@@H](CC)C(=O)NCc1ccccc1 853783043 FQNLXOGLEZAXSL-ZDUSSCGKSA-N 283.824 3.567 30 20 CHED C#C[C@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 796086413 KASCFQYIMHSHPR-LBPRGKRZSA-N 283.730 3.678 30 20 CHED C=CCN(CC=C)C(=O)c1c(Cl)cccc1Cl 5377216 CZPLWLLTZBSJOC-UHFFFAOYSA-N 270.159 3.808 30 20 CHED Cc1ccc2c(c1)/C(=N/Nc1ccc(F)cc1F)C(O)=N2 6673138 DSSXNNKRLIUBTJ-UHFFFAOYSA-N 287.269 3.691 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)s2)c(OC)c1 8080280 ZLLLSCRUDDAXFS-SOFGYWHQSA-N 288.368 3.970 30 20 CHED C=CCNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 10367439 LKOITONWHLQNTG-CSKARUKUSA-N 287.359 3.870 30 20 CHED N#Cc1ccc(NCc2ccsc2)c(Br)c1 37072121 MQFOHTFUDHUQKG-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C#Cc1cccc(NCc2c[nH]nc2-c2ccc(C)o2)c1 37185235 GBNMWFSSZMMPFH-UHFFFAOYSA-N 277.327 3.572 30 20 CHED COc1ccccc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 37217613 JWXLGUHTRGBUBX-KBPBESRZSA-N 280.371 3.979 30 20 CHED N#CCOc1ccc(N[C@H]2CCc3ccccc3C2)cc1 37228568 WSNLIRFUHIJXGQ-KRWDZBQOSA-N 278.355 3.558 30 20 CHED N#Cc1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1 39947678 HZHLJUVMCSJCTD-UHFFFAOYSA-N 296.333 3.935 30 20 CHED C[C@H](CC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 41130447 WTWYEDCAYRWWED-GFCCVEGCSA-N 282.318 3.830 30 20 CHED C=C(Br)CN[C@@H](C)c1ccc(Cl)s1 42587796 XJNWJONOQLZWHM-ZETCQYMHSA-N 280.618 3.961 30 20 CHED Cc1ccc(F)cc1NC(=O)N(C)Cc1ccc(C#N)cc1 43277224 PZZZYTSPYVXXIX-UHFFFAOYSA-N 297.333 3.670 30 20 CHED N#C[C@H](C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccn1 49458246 HPXCWXKHVBXDDA-SRVKXCTJSA-N 296.292 3.627 30 20 CHED N#C[C@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1 49870637 YFDMNFKJMMQTRW-AWEZNQCLSA-N 276.767 3.601 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)CCc1ccc(C#N)cc1 53676177 PAGGIPNFSGHGKX-OAHLLOKOSA-N 286.419 3.822 30 20 CHED CCCCCCCCN[C@H](C)c1nnc2ccccn12 59141593 WJFYGWWDTFIDRV-CQSZACIVSA-N 274.412 3.740 30 20 CHED Cc1ccc2oc(C(=O)N(C)c3cccc(C#N)c3)cc2c1 63327151 PFSJCLQNCFYJDI-UHFFFAOYSA-N 290.322 3.890 30 20 CHED N#CCN(C(=O)c1cc2c(s1)CCCCCC2)C1CC1 67686650 QMBDOUPMZNBTOJ-UHFFFAOYSA-N 288.416 3.535 30 20 CHED N#Cc1ccc(Oc2ccnc(-c3ccccc3)n2)cc1 68427584 UXMURGMLYRHBPW-UHFFFAOYSA-N 273.295 3.808 30 20 CHED CC[C@@H](C)c1ccccc1OC(=O)c1ccc(C#N)c(C)n1 75719953 MGFSCYZAYGZHQI-GFCCVEGCSA-N 294.354 3.994 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)c1ccccc1 77012629 LDDIQSWQNSHCDM-UHFFFAOYSA-N 266.344 3.615 30 20 CHED C=CCCCNc1ccc(Cl)cc1C(=O)N1CCCC1 77245256 HZAPVHKFWKSNPM-UHFFFAOYSA-N 292.810 3.954 30 20 CHED CC1CCC(N(C)c2nc(C(F)(F)F)ccc2C#N)CC1 78833023 SQOZWDSHUQEFBZ-UHFFFAOYSA-N 297.324 3.987 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N1CCCc2ccccc21 79353213 YKZKWDDJROEEPL-ZDUSSCGKSA-N 275.417 3.664 30 20 CHED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(SCC#N)c1 79396041 CAIZMOTWUACFFQ-CHWSQXEVSA-N 288.416 3.705 30 20 CHED C=CCNc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 89104184 LJJDMYQNVMKBTK-GFCCVEGCSA-N 292.810 3.953 30 20 CHED COCCCCNc1ccccc1SC[C@H](C)C#N 89660338 NGGBXITWEFOBSJ-CYBMUJFWSA-N 278.421 3.777 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1SC1CCCCC1 95081008 DHDMQHKEDAYSAU-UHFFFAOYSA-N 262.334 3.891 30 20 CHED C=CCN(CC=C)C(=O)CSc1ccc(C)c(C)c1 97603065 UBZNXTJHTGHXRX-UHFFFAOYSA-N 275.417 3.596 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)sc2C)c1 103032423 OKCBYHSBWNPZPA-UHFFFAOYSA-N 269.369 3.623 30 20 CHED CCCc1cc(C(=O)N(CCC#N)CC2CC2)sc1C 103438287 ZRGCJVWASXIQDB-UHFFFAOYSA-N 290.432 3.775 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 105668456 CKSNYXZFZDLZSE-UHFFFAOYSA-N 298.143 3.864 30 20 CHED C=CC1CCN([C@H](C)C(=O)Nc2cccc(C)c2C)CC1 111260080 ORTJLJZUYPHWHD-OAHLLOKOSA-N 286.419 3.528 30 20 CHED CCCCCCCC(=O)NCc1ccccc1CN(C)C 112879854 NDOWUKGFDXTZQY-UHFFFAOYSA-N 290.451 3.725 30 20 CHED C=CCS[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 114757268 STEKAQKUWLOHPY-CYBMUJFWSA-N 263.406 3.858 30 20 CHED C=CC[C@H](C)NC(=O)c1cccnc1Sc1ccccc1 116855915 RXGGBWGXUXYWPI-ZDUSSCGKSA-N 298.411 3.927 30 20 CHED C=CCCCSCC(=O)Nc1ccccc1CC 117944783 CYDHOMZBDUBPBX-UHFFFAOYSA-N 263.406 3.887 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 119126379 WWYDEOJPUIKSMN-NWDGAFQWSA-N 299.336 3.965 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(OC)c(Br)c1 119309853 SHPLKLOSZRPFGQ-NXEZZACHSA-N 284.197 3.683 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cc1)c1cc(F)cc(F)c1 120187937 IGWGNJCYEXOYQB-JTQLQIEISA-N 287.265 3.754 30 20 CHED CC(=O)CCCCCCC(=O)Nc1cc(C#N)ccc1C 125802046 UWFZPPHTJUMNTD-UHFFFAOYSA-N 286.375 3.735 30 20 CHED C[C@H](N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(C#N)cc1 127505877 XGQYOWJSCZYPRN-RYUDHWBXSA-N 298.390 3.651 30 20 CHED CCN(CCC#N)Cc1cc(Cl)cc(Cl)c1 127612776 UEDWAXNUFFHYNG-UHFFFAOYSA-N 257.164 3.729 30 20 CHED C[C@H]1CN(CCCCC#N)CC[C@@H]1c1ccccc1 129784905 QPCBLXAULHPFNR-RDJZCZTQSA-N 256.393 3.806 30 20 CHED N#Cc1ccc(N[C@H]2CCSc3ccc(F)cc32)cn1 131058303 XAZUIECAQBYLFB-AWEZNQCLSA-N 285.347 3.741 30 20 CHED CCCCCCCCCC(=O)N1CCCN2CCC[C@H]2C1 141729733 DAIWTPWZUMTCHD-KRWDZBQOSA-N 294.483 3.824 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1cc(C)ccc1C 155131749 LCHJTXSGXQMBFC-OAHLLOKOSA-N 274.408 3.528 30 20 CHED C=C[C@@H](CC(=O)NC[C@H]1Cc2ccccc21)c1ccccc1 155748688 BIXHEHQKAPACBX-MAUKXSAKSA-N 291.394 3.802 30 20 CHED CN(C[C@@H](O)c1ccc(C#N)cc1)C1CCCCCCC1 155923543 PNTBHPGWTUHTQA-GOSISDBHSA-N 286.419 3.636 30 20 CHED C#CCCCCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 156032852 RQIKNXPYYOVOIO-RTBURBONSA-N 291.394 3.863 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)ccc1F 156537513 JLGMJXAYDUKORE-UHFFFAOYSA-N 251.276 3.672 30 20 CHED CC(C)(C(=O)Oc1ccc(C#N)cc1F)c1ccccc1 157949551 CLZWJOKUXOXPJW-UHFFFAOYSA-N 283.302 3.581 30 20 CHED N#Cc1ccc(OC(=O)CCCc2ccccc2)c(F)c1 157997056 SIVYUDFWACCOOI-UHFFFAOYSA-N 283.302 3.626 30 20 CHED C[C@H]1SCCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C 162936013 QOXWJRFHHIGNME-GHMZBOCLSA-N 280.824 3.537 30 20 CHED C[C@@H](CC1CC1)Nc1cccc(OCCCC#N)c1 165146248 FAEHELYAVJGYRB-ZDUSSCGKSA-N 258.365 3.970 30 20 CHED C=CCN(c1ccc(C(F)(F)F)c(C#N)c1)C1CC1 165351413 PSCUQSCPHIFUSX-UHFFFAOYSA-N 266.266 3.732 30 20 CHED C=CCN(Cc1ccn(C(C)C)n1)Cc1ccccc1F 172012598 SQLKYMFPDBFAOL-UHFFFAOYSA-N 287.382 3.791 30 20 CHED N#Cc1cccc(CSc2ccccc2C#N)c1 172679854 DQJYZWPTTMZJAE-UHFFFAOYSA-N 250.326 3.722 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1 172908181 KKWOUPQXASIKQJ-CQSZACIVSA-N 262.356 3.505 30 20 CHED C#CCCCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 172947470 BTZJKIOTFQDXJH-KGLIPLIRSA-N 296.197 3.627 30 20 CHED Cc1cc2occ(CC(=O)OCC3(CC#N)CC3)c2cc1C 174753794 UMAOSIDXQNEYSQ-UHFFFAOYSA-N 297.354 3.829 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)NCCCCC#N 176488509 IHTHNUDGOCTSCQ-UHFFFAOYSA-N 294.782 3.552 30 20 CHED C=CCOc1ccccc1CNC(=O)c1cscc1C 176615309 LLZAFINGWCZCJN-UHFFFAOYSA-N 287.384 3.551 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@H]1CC[C@H](C)C1 178378937 NSBHGAJBFZWDQZ-AAEUAGOBSA-N 256.349 3.632 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C1CCCC1 180205289 CYUILZRJVPCMLS-STQMWFEESA-N 258.365 3.968 30 20 CHED C[C@@H](NC[C@@H]1CCc2ccccc21)c1cccc(C#N)c1 181734645 JYCPVYHASAXHHW-KDOFPFPSSA-N 276.383 3.939 30 20 CHED COCCCOc1ccc(Oc2ccc(C#N)cc2)cc1 183262408 HVYFCAZYBJSYQM-UHFFFAOYSA-N 283.327 3.766 30 20 CHED C=CCC[C@@H](NCc1ccc(C(C)(C)O)cc1)C1CC1 186617099 NWQQCBWVZNCICL-QGZVFWFLSA-N 273.420 3.748 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)C1CCSCC1 187192969 YMPGYDFSUVLKGV-AWEZNQCLSA-N 291.460 3.873 30 20 CHED CC(C)N(Cc1ccc(Cl)cc1C#N)C(C)C 187396526 XXOUDOSXKCCZOK-UHFFFAOYSA-N 250.773 3.830 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C#N)cc1 188097143 HMUKBSMWTYDDDZ-AWEZNQCLSA-N 275.355 3.623 30 20 CHED CCN(CC)C(=O)[C@@H](C)S[C@@H](C)c1cccc(C#N)c1 190904718 VBFABYSCLRHEIA-QWHCGFSZSA-N 290.432 3.609 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H](C)CC)s1 191882458 AKBOFBZUOQYVTF-VIFPVBQESA-N 250.367 3.557 30 20 CHED C=CCC1(C(=O)Nc2ccccc2CCOC)CCC1 191959205 VAYXTSWVXXYJSV-UHFFFAOYSA-N 273.376 3.560 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccoc1Cl 192288679 OWYCAKJTBSIMPM-UHFFFAOYSA-N 293.725 3.901 30 20 CHED C=CCCCCCN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 193458825 POXVSPHYODRYLQ-OAHLLOKOSA-N 288.439 3.608 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc(Cl)cs1 194328525 DRLRLVUPQXTESD-UHFFFAOYSA-N 276.792 3.905 30 20 CHED N#CCc1cccc(C(=O)Nc2cccc(C(F)F)c2)c1 195421815 ASPNPUGQLWVFNI-UHFFFAOYSA-N 286.281 3.943 30 20 CHED CC[C@H](CC#N)N[C@H]1CC[C@](C)(c2ccccc2)C1 249953172 VJPUSILAFQLTGD-IKGGRYGDSA-N 256.393 3.779 30 20 CHED N#Cc1ccccc1C(=O)CCc1ccccc1C=S 253532828 BLSPYKHDIWJWJX-UHFFFAOYSA-N 279.364 3.722 30 20 CHED CC(C)Oc1ccccc1C=NNc1ccccc1C(=O)O 254399859 KHFMMZVRXNXESX-UHFFFAOYSA-N 298.342 3.618 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1 255036636 FLAUBFSVHNPFMJ-SREVYHEPSA-N 269.325 3.524 30 20 CHED O=C1C(=C/C=C\c2ccc(F)cc2)C(=O)c2ccccc21 255070890 LNXUODWVTQSXAI-ARJAWSKDSA-N 278.282 3.845 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2ccc(O)cc2)c1 255687181 VKMGVTXAEFBQIX-YVMONPNESA-N 252.313 3.905 30 20 CHED C=CCN(CC=C)C(=O)COc1cc(C)ccc1C(C)C 255925778 ZIXDXGDZYFWEQR-UHFFFAOYSA-N 287.403 3.698 30 20 CHED Cc1ccc(C)c(CNC2(c3cccc(C#N)c3)CC2)c1 269627169 SKBIZWTVJSPCBD-UHFFFAOYSA-N 276.383 3.954 30 20 CHED CC(C)(NCc1ccc(OCC#N)cc1)c1cccc(F)c1 271826784 TUEBCIKHSYIQHV-UHFFFAOYSA-N 298.361 3.753 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(C(=O)C1(C#N)CCC1)CC2 272741788 MXSRBCPUZQNJPR-UHFFFAOYSA-N 296.414 3.563 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 274345204 NIKOZRGIOPUOJM-NVXWUHKLSA-N 283.415 3.516 30 20 CHED C=CCN(C(=O)c1cccc2ccsc12)C1CC1 274360020 SBPFNMPWPRPXPL-UHFFFAOYSA-N 257.358 3.692 30 20 CHED C=CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 275925289 YXOTVDQVGYRGAS-UHFFFAOYSA-N 288.347 3.509 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 278664183 BCAMGGPZQWFAPC-HNNXBMFYSA-N 290.382 3.969 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCc3ccccc32)cc1 279700835 RWFKCFGSFSDTDD-UHFFFAOYSA-N 290.366 3.691 30 20 CHED CC(C)Oc1cc(F)ccc1OCCC(C)(C)C#N 281861939 KFPGTGOFNOUGFJ-UHFFFAOYSA-N 265.328 3.932 30 20 CHED COc1cc(C#N)ccc1OCCSCCCCCF 285401445 ZJLXLQODRFAWEH-UHFFFAOYSA-N 297.395 3.819 30 20 CHED CC(C)(C#N)CCCCN1CCCC[C@H]1c1cc[nH]n1 285513533 YNHLWPZQNNYREU-HNNXBMFYSA-N 274.412 3.657 30 20 CHED CCOCCO/N=C(\C)c1csc(-c2ccccc2)n1 286572312 YOULMWGZCCVTDE-SFQUDFHCSA-N 290.388 3.587 30 20 CHED CC1(C)CN(CCCSCC#N)[C@@H]1c1cccs1 287016489 RARLWOIHJBGVFQ-CYBMUJFWSA-N 280.462 3.778 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1c1nc(Cl)c(C#N)s1 288211558 DFJWJOANSMNRLU-OPRDCNLKSA-N 281.812 3.826 30 20 CHED Cc1ccc2ncc(C#N)c(NC[C@H]3CCSC3)c2c1 291925556 LVMFVWVUNGEPPQ-GFCCVEGCSA-N 283.400 3.580 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(OC(F)F)c1 292169908 GIZAOPIUIQVUAH-UHFFFAOYSA-N 269.291 3.829 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(Cc3ccc(F)cc3)CC2)C1 293196118 UCQQPYQDITUICG-SJLPKXTDSA-N 286.394 3.772 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1c[nH]c2cc(F)ccc12 294439639 ZVGHZSVFUYSNHR-UHFFFAOYSA-N 288.366 3.568 30 20 CHED Cc1ccc([C@H](CNc2ccc(C#N)cc2)N2CCCC2)o1 301137368 CBVQQEWKHZBBQM-KRWDZBQOSA-N 295.386 3.709 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCc2ccc(F)cc21 301213719 YQRDCROZLZKYNT-MRXNPFEDSA-N 270.282 3.936 30 20 CHED CCOC1CC(CCNc2c(Cl)cccc2C#N)C1 302694124 SIXBJEMEXSLLJH-UHFFFAOYSA-N 278.783 3.829 30 20 CHED N#Cc1cnc(N[C@H]2CCCc3c(O)cccc32)c(Cl)c1 302731576 SWPPHRRKWLNOAL-AWEZNQCLSA-N 299.761 3.802 30 20 CHED C=CCNC(=O)N[C@@H](CC(C)C)c1ccccc1C 303520243 PNOIDAGGEJKLQJ-HNNXBMFYSA-N 260.381 3.567 30 20 CHED CC(C)(C)CCC(=O)Nc1ccc(C#N)cc1Cl 305296363 YGMBIPVVYASXSS-UHFFFAOYSA-N 264.756 3.976 30 20 CHED C[C@H](Nc1snc(Cl)c1C#N)c1ccsc1 309915535 PDJQICSRCURSDD-LURJTMIESA-N 269.782 3.903 30 20 CHED CCCC[C@H](C)N(C)Cc1ccc(OC)c(C#N)c1 312096329 FKBYBWJDWYUOQV-ZDUSSCGKSA-N 260.381 3.577 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(OC)cc1OC 312648971 UOKVXEUBNCDUNX-CYBMUJFWSA-N 277.408 3.957 30 20 CHED CCCC1(/C(O)=N/[C@@H]2CCC(O)=NC23CCC3)CCC1 328714999 CRCSDXMKWBPDCI-GFCCVEGCSA-N 278.396 3.955 30 20 CHED O/C(C[C@@H]1C[C@H]2CC[C@H]1C2)=N/CCc1cnc(C2CC2)nc1 328806911 IDNQRZODYBBJLW-RCBQFDQVSA-N 299.418 3.679 30 20 CHED C[C@H]1CC[C@H](/N=C(/O)Nc2scnc2C2CC2)CC1 328907839 CKXJWTBCIFVEPJ-HOMQSWHASA-N 279.409 3.925 30 20 CHED C[C@@H]1CC[C@H](/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)C1 329224731 CPHSUDMMBKZKCU-GFQSEFKGSA-N 280.412 3.913 30 20 CHED COc1cccc(C)c1N/C(O)=N/CC1CCCCC1 331334888 XESBYCGJFOAGJB-UHFFFAOYSA-N 276.380 3.910 30 20 CHED C/C=C/c1ccc(NC(=O)N2CCC(CC#N)CC2)cc1 334293865 RIODAPZWISQXBS-NSCUHMNNSA-N 283.375 3.877 30 20 CHED N#Cc1cccc(NCc2cccc(O)c2Cl)c1 336897185 OWKYXPXVKIBNRI-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C=C[C@@H]1CCCCN1c1cncc(-c2cccs2)n1 338710601 XDLLOGULQZUYMP-GFCCVEGCSA-N 271.389 3.750 30 20 CHED C=CCCN(C)C(=O)c1ccc(COc2ccccc2)cc1 342491619 POVQNWNYIFSBDO-UHFFFAOYSA-N 295.382 3.914 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(C(C)=O)[nH]1)c1ccccc1 343210745 DQJXAIMHLYCRHL-MRXNPFEDSA-N 296.370 3.655 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1c1nc(-c2c[nH]c3ccccc23)no1 347052548 XANUUNNCBPJPIP-DOMZBBRYSA-N 295.342 3.667 30 20 CHED C=CC[C@@H]1N(C(=O)CC[C@@H]2CC[C@H](C)O2)CCCC1(C)C 347496399 YARAOSJASUHAGF-JYJNAYRXSA-N 293.451 3.927 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CC[C@H](c2ccccc2)O1 352544601 BGWFZLSWLOHXPN-HZPDHXFCSA-N 287.403 3.625 30 20 CHED C=CCC[C@@H](NCCNc1cccc(C)n1)c1ccco1 353615986 XTPWEXWPRMEJIL-OAHLLOKOSA-N 285.391 3.692 30 20 CHED CCC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1NC1CC1 355392681 MBIXLRBNLYSFKL-GFCCVEGCSA-N 285.391 3.897 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc2n[nH]cc2c1 356646231 CEKKVPQFZYRGEE-LBPRGKRZSA-N 283.375 3.509 30 20 CHED CC[C@H](CC#N)NCc1cccc(OCC(C)C)c1 358299337 MYIMWKJSXNVDNM-OAHLLOKOSA-N 260.381 3.503 30 20 CHED C[C@H](CC#N)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 358770341 WTPNZSPMEWFMCE-SSDOTTSWSA-N 296.157 3.507 30 20 CHED CCC(CC)(CCO)CNc1nc(C)c(C#N)cc1Cl 360069278 DDXRAFUXXLPKCJ-UHFFFAOYSA-N 295.814 3.516 30 20 CHED C=C(CNC(=O)[C@H](c1cccnc1)C(C)C)c1ccccc1 360211710 FVPYVLKSSGQNOQ-SFHVURJKSA-N 294.398 3.651 30 20 CHED CC#CCCNC(=O)N[C@H](CC)c1cccc(Cl)c1 361286538 DNFYOOLMUUPVKP-CQSZACIVSA-N 278.783 3.504 30 20 CHED Cc1ccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1C 361547166 FFVZFQPQTOXIKK-IBGZPJMESA-N 293.414 3.851 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1ccc(C#N)c(F)c1 361768129 QKOBBTXSVFVYJA-WQGACYEGSA-N 260.356 3.612 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(F)c(C#N)c2)CCC1 362499194 TWGDIQNXGCHZKO-UHFFFAOYSA-N 274.339 3.852 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 362693116 SWEMNAOULJFOID-SSDOTTSWSA-N 276.233 3.541 30 20 CHED CCC(CC)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 363492840 IRDZFXLVSTXXBM-IRXDYDNUSA-N 299.418 3.656 30 20 CHED N#Cc1ccc(NC(=O)N2CC3CCC2CC3)cc1Cl 367390857 UZZOVEAMICPSEK-UHFFFAOYSA-N 289.766 3.618 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(-c2ncco2)ccc1C 367962452 UPCMGOHFUWDQTC-UHFFFAOYSA-N 285.347 3.690 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 370734450 FZYMTXMOKXWZCS-GOSISDBHSA-N 298.430 3.858 30 20 CHED N#Cc1ccc(F)c(CN2CCC=C(c3ccco3)C2)c1 375615986 CBNVWMBBIQLQBP-UHFFFAOYSA-N 282.318 3.580 30 20 CHED N#CCc1ccc(COc2ccc(Cl)cc2C=O)cc1 399070799 DQHXLDYIRLXHLV-UHFFFAOYSA-N 285.730 3.798 30 20 CHED C[C@H](NCc1ccc(CC#N)cc1)c1ccsc1 399267840 SNYDDEIBYPJVMH-LBPRGKRZSA-N 256.374 3.665 30 20 CHED N#Cc1c(F)cccc1NCCCCCCCC(=O)O 403154714 OEUXXUBAUXEFNG-UHFFFAOYSA-N 278.327 3.534 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C)c1ncc(C)o1 411186109 IVZSNYXHVALQSO-CYBMUJFWSA-N 274.339 3.871 30 20 CHED C[C@H](CCC#N)N1CCC(Cc2ccccc2F)CC1 411257602 KOZJCCUXJVKKGB-CQSZACIVSA-N 274.383 3.772 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cc(C#N)cs1 412810058 IEYGHRYOCAOKSN-NWDGAFQWSA-N 276.405 3.564 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@@H](C)n2ccnc21 414305410 RSLYWWJKVHOKQX-OIISXLGYSA-N 281.403 3.666 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421564447 ZKNDBYQPIJKKSS-HIFRSBDPSA-N 295.386 3.893 30 20 CHED C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1 424111279 ADLUYQBSOTWMEX-ZLIFDBKOSA-N 254.377 3.645 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccccc2F)no1 424347918 KKKMBCVXBISRIP-UHFFFAOYSA-N 260.312 3.653 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](OC)c1cccc(Cl)c1 424689441 DRXHQQUYNDAUEV-AWEZNQCLSA-N 295.810 3.746 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)OC)c(C)cc1C 424797684 SEQSEZPROQLWAH-UHFFFAOYSA-N 289.375 3.631 30 20 CHED C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(C#N)cs1 427223764 PAJJGXOOEXFIHX-MDWZMJQESA-N 296.395 3.795 30 20 CHED CC1(C)CCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 429221719 ODFCFRUEVDUZNF-CYBMUJFWSA-N 291.782 3.912 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)NCC1(CC#N)CC1 430749917 MAYIEJYVDVEUKB-LLVKDONJSA-N 277.437 3.919 30 20 CHED Cc1nc(C(=O)N(C)C2CCC(C(C)C)CC2)ccc1C#N 432551828 IFZUHPNHSIIQDF-UHFFFAOYSA-N 299.418 3.549 30 20 CHED N#CCCCN1CC2(CCCC2)c2cccc(F)c21 433156420 JARZUNIPJNAEAV-UHFFFAOYSA-N 258.340 3.761 30 20 CHED CC(C)[C@H](C)N(C(=O)[C@H](C#N)CCc1ccccc1)C1CC1 433300234 SOKFUWSLFRMFNH-RDJZCZTQSA-N 298.430 3.794 30 20 CHED CC(C)c1cnc(CNc2ccccc2C#N)s1 438928490 RFSNMVAGJJREDF-UHFFFAOYSA-N 257.362 3.750 30 20 CHED CCOc1cc(Cl)ccc1CN[C@@H]1CC[C@@H](C#N)C1 442819079 POTVZRDAAJGPDR-BXUZGUMPSA-N 278.783 3.521 30 20 CHED C[C@]1(N[C@@H]2CC[C@H](C#N)C2)CCCc2ccccc21 442831047 UXHKOZWLTQPLBQ-LXZKKBNFSA-N 254.377 3.520 30 20 CHED CO[C@H](c1ccccc1Cl)[C@H](C)N[C@H]1CC[C@H](C#N)C1 442870930 LBHQVYLKOICXIB-QCQGSNGOSA-N 292.810 3.698 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2ccoc2c1 443383189 JCQVNTUWSPWHHJ-UHFFFAOYSA-N 256.305 3.639 30 20 CHED N#Cc1nc(Nc2ccc(F)cc2)ccc1C(F)(F)F 443403424 AXQQQTQSUOZKKR-UHFFFAOYSA-N 281.212 3.855 30 20 CHED C=CC[C@@H]1N(C[C@@H]2CC[C@@H](C)O2)CCCC1(C)C 444784173 MXXPSJISSQOWQT-ILXRZTDVSA-N 251.414 3.621 30 20 CHED C=C1CCN(C(=O)C2(Cc3cccc(Cl)c3)CC2)CC1 448911215 NGBHBGZPNJBJMM-UHFFFAOYSA-N 289.806 3.841 30 20 CHED C=CCC1(C(=O)N[C@H](CC)c2c(C)noc2C)CCCC1 450253365 CZTLJGNIGCFUCX-CQSZACIVSA-N 290.407 3.995 30 20 CHED N#CC1(CN[C@H]2CCC[C@@H]2Cc2ccccc2)CCC1 450823401 UPBOSYNKWSKCLI-SJORKVTESA-N 268.404 3.681 30 20 CHED C=CC(C)(C)C(=O)NCCc1ccc(Cl)c(C)c1 451872437 MMUFUOXZXJTAJI-UHFFFAOYSA-N 265.784 3.519 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cnn(Cc2ccccc2)c1 453304171 FDHIMOGMEWJHGZ-OAHLLOKOSA-N 283.419 3.794 30 20 CHED C[C@@H](NC[C@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 453309925 FDWMLDBALSDTSZ-ZBFHGGJFSA-N 284.403 3.558 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(C2CC2)c1 453356696 MGQHZNXCARQQHN-VUCTXSBTSA-N 257.377 3.558 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)Nc1cccc(C#N)c1 454196790 AGTJXASZPHUKLA-KRWDZBQOSA-N 285.391 3.991 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OC(C)C)cc1 454489160 WTUVJOAMZLLIFG-UHFFFAOYSA-N 262.353 3.562 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C1=CC[C@@H](C)CC1 455909334 RVDFXZYXARIVHM-GFCCVEGCSA-N 283.375 3.675 30 20 CHED C=CCC1(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)CCCC1 456253178 NJXVQEGHQMJNSL-CVEARBPZSA-N 273.420 3.770 30 20 CHED CC(C)(C#N)CC(=O)NC1(C(C)(C)c2ccccc2)CC1 456817310 RTFZRENTIJKDNR-UHFFFAOYSA-N 284.403 3.553 30 20 CHED C[C@H](NC(=O)CCc1ccc(C#N)cc1)[C@H]1CCC[C@@H](C)C1 456993147 GMPNCTZDSTYJFK-VKJFTORMSA-N 298.430 3.822 30 20 CHED Cc1cc(CN[C@H](C)CCCc2cccnc2)ccc1C#N 459636235 KAIBVKZVLYEUJO-MRXNPFEDSA-N 293.414 3.763 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@]1(C)CC=CCC1 460047683 MURDZFWZGMWUPT-KRWDZBQOSA-N 284.359 3.642 30 20 CHED N#Cc1nn(C[C@@H]2C[C@H]2c2ccccc2)c2ccccc12 460874671 XOZJLOZOKRRQJT-HOCLYGCPSA-N 273.339 3.712 30 20 CHED CC#CCCN(C)Cc1cccc(Cl)c1Cl 462322648 ZCGGFDJFEISSGF-UHFFFAOYSA-N 256.176 3.839 30 20 CHED CC#CCCCC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 464571519 QFPTVVWINZRHKC-GJZGRUSLSA-N 263.425 3.901 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@](C)(CC)C2)cc1 464586095 HKQHYLPYERSSIW-GOSISDBHSA-N 287.403 3.904 30 20 CHED CCCC[C@H](NC(=O)NCc1ccc(C#N)cc1)C1CCC1 464820687 FJJLNNLBNJWQEV-KRWDZBQOSA-N 299.418 3.716 30 20 CHED C=CCOCCCN(CC)Cc1cccc(Cl)c1 470719627 JRXOGKZQAJABFP-UHFFFAOYSA-N 267.800 3.755 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(c2ccc(F)cc2)CCC1 473184078 QIWLZVOKURFEII-QGZVFWFLSA-N 289.394 3.966 30 20 CHED CCCOc1ccc(CNc2nccc(C)c2C#N)c(C)c1 473722264 DZUSETQGRVZUCW-UHFFFAOYSA-N 295.386 3.971 30 20 CHED C=CCCCC(=O)Nc1cccc(Cl)c1-n1cccn1 480733815 GOXMAZAKLHJHCP-UHFFFAOYSA-N 289.766 3.821 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 481861912 DVYGKOAEBIHWOR-GOEBONIOSA-N 279.424 3.587 30 20 CHED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C 487402425 XGESALJEDISBPJ-OKILXGFUSA-N 256.393 3.576 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@H](C)[C@@H](C)C3)c2c1 488090130 OHZVYXRYVOSHKT-STQMWFEESA-N 265.360 3.507 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2ccccc2n1C(F)F 489483118 QKYGHAUYUUPWTA-LBPRGKRZSA-N 291.345 3.972 30 20 CHED C=CCC(C)(C)CNC(=O)C1(c2cccc(F)c2)CCC1 489709721 CJSLDABVPBUDEQ-UHFFFAOYSA-N 289.394 3.966 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)c1sccc1C#N 490886813 UFVCIFGXYAOOGZ-VXGBXAGGSA-N 290.432 3.954 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(SCC)cc1 491673459 VRVPEZGAPXDPMA-OLZOCXBDSA-N 290.432 3.523 30 20 CHED C#CC(C)(C)N(C)Cc1csc(-c2ccsc2)n1 491725765 IGOYYQXPNRYHNU-UHFFFAOYSA-N 276.430 3.715 30 20 CHED CCN(CCCC1(C#N)CCOCC1)[C@H]1CCCC[C@@H]1C 499699571 ZDQNPEZJTRPDSQ-IRXDYDNUSA-N 292.467 3.988 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(F)cc1OC(C)(C)C 500079451 AJUMHZLIFIGMFB-JTQLQIEISA-N 280.343 3.699 30 20 CHED C=CCCO[C@@H](C)C(=O)NC1CCC(CCCC)CC1 501568323 ISSJILRHLKEVAP-FHERZECASA-N 281.440 3.833 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1CCC[C@H](C)C1 505201104 LNFJOLJWZUEJDI-JKSUJKDBSA-N 278.440 3.991 30 20 CHED COc1cc(OC[C@H]2CCCC(F)(F)C2)ccc1C#N 509089811 ODLPPWCXGATCHT-NSHDSACASA-N 281.302 3.771 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 513496620 HUCNFDPXFVEPNE-OAHLLOKOSA-N 298.336 3.826 30 20 CHED C[C@@H](c1ccccc1Br)N(C)C[C@@H](C)C#N 514098364 GCNGMNPRUQFTHJ-QWRGUYRKSA-N 281.197 3.602 30 20 CHED C=C1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 517799982 XFXKQPBTDMNJOP-UHFFFAOYSA-N 284.186 3.715 30 20 CHED C=C1CCN(C(=O)CCC(=O)c2ccc(CCC)cc2)CC1 521273826 FIYLPUFTCDOKBJ-UHFFFAOYSA-N 299.414 3.781 30 20 CHED Cn1ccc2c(NCc3cccc(C#N)c3)cccc21 530912997 QEPSGQZQMUEFBW-UHFFFAOYSA-N 261.328 3.662 30 20 CHED C=CCCCCCN(C)[C@H](C)C(=O)N(C)c1ccccc1 533288775 ZWTXJUAQYJPXRN-MRXNPFEDSA-N 288.435 3.716 30 20 CHED C[C@@H]1CC(=O)c2c(Oc3cccc(C#N)n3)ccc(F)c21 535888083 MMFBBIQPKGLCAM-SECBINFHSA-N 282.274 3.575 30 20 CHED CC#CCCNC(=O)Nc1cccc(Cl)c1Cl 542605858 ZHGPJGSDKBNDNE-UHFFFAOYSA-N 271.147 3.528 30 20 CHED Cc1nnc(SCC2CCC(C)CC2)c(C#N)c1C 544857542 RGXLFGUWIBWPBR-UHFFFAOYSA-N 275.421 3.884 30 20 CHED CCC[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 552827974 APJRITOWMFRYBZ-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED C=CCn1cccc1C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 553337752 UGYKMMJCEHMERW-MAUKXSAKSA-N 294.398 3.897 30 20 CHED Cc1ccc([C@@H]2CCN(c3cc(C)nc(C#N)c3)C2)c(C)c1 553567973 AKSVTSVUZZHWGK-MRXNPFEDSA-N 291.398 3.872 30 20 CHED C[C@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)c(F)c1 553791789 PGWGODOGNDWOIM-LMRQPLJMSA-N 272.367 3.784 30 20 CHED CCC[C@H](NCc1ccc(C#N)cn1)C1CCCCC1 554362982 CKHASRMURWCJNY-KRWDZBQOSA-N 271.408 3.792 30 20 CHED C=CCC(C)(C)c1noc(-c2oc(CCC)nc2C)n1 560026472 VIXVZPWFOFUQIJ-UHFFFAOYSA-N 275.352 3.839 30 20 CHED CN(Cc1ccc(F)c(C(F)(F)F)c1)CC(C)(C)C#N 560569855 UVHNLZALUCGJGX-UHFFFAOYSA-N 288.288 3.826 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)cn2)c1C 566951148 JVVLVFGPUVDYNC-IBGZPJMESA-N 291.398 3.907 30 20 CHED C=CCCCCN1CCC(Nc2cccc(OC)c2)CC1 568592137 GSTPRKPJPJRKCU-UHFFFAOYSA-N 288.435 3.928 30 20 CHED C[C@H](CCC(C)(C)C)NCCc1cccc(C#N)c1 569753729 ZMXDTSHCVQRRNF-CQSZACIVSA-N 258.409 3.905 30 20 CHED CCCc1ccc(CN(CC#N)C2CCCC2)cc1 572707738 GTPVDOPFEMYBOE-UHFFFAOYSA-N 256.393 3.907 30 20 CHED C[C@@H]1CN(C)c2ccccc2N(Cc2ccc(C#N)s2)C1 577146123 WLMKSFKRPYVNJC-CYBMUJFWSA-N 297.427 3.712 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C1CCC1)C1CC1 578608540 OSQKBPXGLHTBRH-INIZCTEOSA-N 283.375 3.567 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 579524792 SEJNGOJALLITOH-DOTOQJQBSA-N 270.376 3.532 30 20 CHED N#CC1(CNC(=O)Nc2cccc(-c3cccs3)c2)CC1 582643338 VTWDUNFXOVYGBZ-UHFFFAOYSA-N 297.383 3.840 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC1CCCCCC1)CC2 584499626 UKIMIEHCCAMVNT-KRWDZBQOSA-N 254.377 3.858 30 20 CHED N#CCCCCCC(=O)N1CCSc2ccccc21 588816394 HDRKWGPPVXGFJQ-UHFFFAOYSA-N 274.389 3.599 30 20 CHED N#CCCCCCC(=O)N1CCCc2ccc(F)c(F)c21 588953641 DWKAJITXYDDPCE-UHFFFAOYSA-N 292.329 3.718 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 590355767 CAMUATYGJHNREW-HNNXBMFYSA-N 288.435 3.960 30 20 CHED C=CCCCCS[C@@H](C)C(=O)NCCc1cccs1 591401013 UVTVBIDRFPRFBM-ZDUSSCGKSA-N 297.489 3.885 30 20 CHED N#CC1(Cc2cn(CCc3ccccc3)nn2)CCCCC1 594649618 QPGUTJZCQCBTIJ-UHFFFAOYSA-N 294.402 3.537 30 20 CHED N#CCC1(CNc2ccc(Oc3ccccn3)cc2)CC1 594705650 OHJJZVVFGGMALK-UHFFFAOYSA-N 279.343 3.980 30 20 CHED CC(C)c1ccc2c(c1)CN([C@@H]1CC[C@H](C#N)C1)CC2 595656747 DVNGJBOKZUSWKS-KBXCAEBGSA-N 268.404 3.860 30 20 CHED N#CCC1(COc2cccc(Oc3cccnc3)c2)CC1 596264111 IGOYEVFWBKBIDT-UHFFFAOYSA-N 280.327 3.947 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(OCC)cc1 596626785 RTSUCFHNJVMSRU-UHFFFAOYSA-N 294.420 3.516 30 20 CHED C=CCCSCCNC(=O)N(C1CC1)[C@@H](C)C(C)C 596718162 XKXDNOBWNCDFFR-ZDUSSCGKSA-N 284.469 3.514 30 20 CHED N#CC1(CC(=O)N(C2CCCC2)C2CC2)CCCCC1 597139625 QWLBMMOTDLJIHW-UHFFFAOYSA-N 274.408 3.784 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 597904143 DMAMKGVROMNFSI-AWEZNQCLSA-N 282.387 3.720 30 20 CHED CC(C)c1ccc(C(=O)N(C2CC2)[C@@H](C)C#N)cc1Cl 598137902 ORLDSVLUCBQJRH-NSHDSACASA-N 290.794 3.980 30 20 CHED CSc1cc(Cl)ccc1NC(=O)C(C)(C)C#N 598852257 FUPHPEUMSQWDBK-UHFFFAOYSA-N 268.769 3.550 30 20 CHED CCC(C#N)(CC)C(=O)N1CCCc2cc(F)c(F)cc21 602241840 OGQANLMNPURNSX-UHFFFAOYSA-N 292.329 3.574 30 20 CHED CC[C@H]1c2ccsc2CCN1C[C@H](C)CCC#N 602445042 MOVMRAPYMNASSI-OCCSQVGLSA-N 262.422 3.997 30 20 CHED CC1(c2ccccc2)CCN(Cc2cccc(C#N)n2)CC1 602466704 UYIIQKBWGJYARQ-UHFFFAOYSA-N 291.398 3.507 30 20 CHED CSc1ccccc1[C@H](C)NC[C@H](C)CCC#N 602654682 ISCMYFNMMCNXRO-OLZOCXBDSA-N 262.422 3.999 30 20 CHED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N(C)CCC#N 603166433 SAVXCNKNUFDBLN-UHFFFAOYSA-N 299.296 3.700 30 20 CHED C=C1CCN(C(=O)C[C@H](C)c2ccc(CC)cc2)CC1 606366725 PURVWOSUNWRNKW-HNNXBMFYSA-N 271.404 3.921 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 606697542 LDSDWABSCOAILJ-ROUUACIJSA-N 298.430 3.781 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N(C)C2(C#N)CCC2)CC(C)(C)C1 608959305 MDABDOVKLHLAOG-KGLIPLIRSA-N 276.424 3.744 30 20 CHED N#Cc1cccc(NCCc2ccc3ccccc3c2)n1 609891745 JCVJYNSSXOSHLT-UHFFFAOYSA-N 273.339 3.761 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@H](C)c2cccc(C#N)c2)C1 610363082 TYIYCDWZJVCPOS-IOASZLSFSA-N 270.376 3.562 30 20 CHED N#Cc1csc(CN[C@@H]2CCc3ccc(F)cc32)c1 610488758 PREOHNKNTIXZRF-OAHLLOKOSA-N 272.348 3.536 30 20 CHED CCCC1(C(=O)N[C@@H](C)c2cccc(C#N)c2)CCC1 610726194 IJHHIEPACWMBPS-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED C[C@@]1(C#N)CCCN(Cc2csc(-c3ccoc3)n2)C1 612166019 QVJRPLAZVYFOIS-HNNXBMFYSA-N 287.388 3.529 30 20 CHED CC1(C)Cc2cccc(CN3CCC[C@](C)(C#N)C3)c2O1 612405889 DMTPDCXOPHNYBF-GOSISDBHSA-N 284.403 3.526 30 20 CHED CC[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1Br 612462171 BAAXCEIFOZZKAR-MNOVXSKESA-N 295.224 3.845 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@]2(C)CCCS2)n1 613429640 PQWNTSPDXXKFJY-INIZCTEOSA-N 289.448 3.948 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ncccc2SCC)C1 617777587 SGONORUPQLIOIP-ZDUSSCGKSA-N 290.432 3.622 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 617777749 WBHUCRFKSOWTHD-WDYCEAGBSA-N 283.415 3.995 30 20 CHED C[C@H](Cc1cccs1)NCc1ccc(C#N)c(Cl)c1 619754588 FBKDPHZSRTVIOM-LLVKDONJSA-N 290.819 3.994 30 20 CHED C=CCC1(C(=O)NC2C[C@H](C)O[C@@H](C)C2)CCCCC1 649277915 KVGMPRIWIBDRLS-KBPBESRZSA-N 279.424 3.585 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(CN)cc1F 650753291 KSBOXXOZVXHRLX-OAHLLOKOSA-N 264.388 3.509 30 20 CHED C=CCC1(NCc2nc3c(s2)CCC3)CCCC1 657703132 UQESIXCYCSINAI-UHFFFAOYSA-N 262.422 3.610 30 20 CHED C=CCCN[C@H](Cc1ccccc1Cl)[C@H]1CCCO1 658113444 HGKDSQRRDRZCTN-HZPDHXFCSA-N 279.811 3.596 30 20 CHED C=CCCCCN1CCC(NCc2ccccc2)CC1 660680632 VAZAMTUTCLVGRX-UHFFFAOYSA-N 272.436 3.597 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1ccc(F)c(F)c1 663816485 JTSCRIKXKSFUFO-UHFFFAOYSA-N 282.334 3.509 30 20 CHED C=C[C@@](C)(CC)c1nc(C(C)(C)c2ccc(C)cn2)no1 665081985 JIXMWVCAHWOMPD-KRWDZBQOSA-N 285.391 3.953 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1nc(C(C)(C)C)ns1 665969049 BXLVXAOJJNOBND-UHFFFAOYSA-N 296.440 3.702 30 20 CHED C=C[C@H](C)N[C@H](C)c1oc2ccc(OC)cc2c1C 675933597 IEGIIOYIZBNPTI-CMPLNLGQSA-N 259.349 3.975 30 20 CHED CC#CCCCc1nc(-c2ccc(C)cc2F)no1 685353036 PSFFQOWXZPRSMN-UHFFFAOYSA-N 258.296 3.530 30 20 CHED CCCCCCCCCC(=O)N1[C@H]2CC[C@H]1CC(=O)C2 686142943 BYOJGVBAXRZPRH-GJZGRUSLSA-N 279.424 3.850 30 20 CHED N#Cc1cccc(COc2cc(F)cc(Cl)c2)c1 703708084 GHVAEZBQOVEXGV-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CCCCCCCCN1C[C@H]2CCCC[C@@]2(C(=O)O)C1 715806983 QWXOKMGYBQAZIH-NVXWUHKLSA-N 281.440 3.924 30 20 CHED C[C@H]1CCCCC1=NNc1ncnc2sccc12 725817845 OAWIGCHGBBALOQ-VIFPVBQESA-N 260.366 3.669 30 20 CHED COc1cccc(NN=Cc2ccccc2OC(F)F)c1 725853805 RZPZNJKBCAIYHX-UHFFFAOYSA-N 292.285 3.743 30 20 CHED COc1cccc(/C=N\CC2(c3ccccc3C)CC2)c1O 726429258 LYVJYGIHBJSNGA-NDENLUEZSA-N 295.382 3.860 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](CC)Cc2ccccc2)c1 727934111 APKSQEBAXSGXEE-KRWDZBQOSA-N 292.382 3.811 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(O)c(C)c1 728225133 IYJAUTWBJKLVAE-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C#Cc1cccc(N(C(=O)Cc2ccc(C)cc2)C(C)C)c1 728247355 BZQRJROPYTXRAP-UHFFFAOYSA-N 291.394 3.960 30 20 CHED CCCCNN=C(C)c1oc2ccc(OC)cc2c1C 729142200 NYYPKGSIPPLOJD-UHFFFAOYSA-N 274.364 3.864 30 20 CHED C=CC1CCN(c2nc3cc(C)nn3c3ccccc23)CC1 732049530 QSOUCBYCDISRDE-UHFFFAOYSA-N 292.386 3.593 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cnc2c(c1)c(C)nn2C 733749039 BAIRXNLODRQHPC-SNAWJCMRSA-N 297.383 3.543 30 20 CHED CC(C)C(=NNc1cnnc(O)c1Cl)C1CCCCC1 733907403 OZMDPXVMIILHIQ-UHFFFAOYSA-N 296.802 3.840 30 20 CHED C=CCCCOC(=O)c1cc(-c2ccccc2Cl)[nH]n1 735528102 NVSYHTVTPFCSQW-UHFFFAOYSA-N 290.750 3.853 30 20 CHED C[C@@H](Sc1ncccc1C(=O)O)c1ccc(C#N)cc1 736716028 XLDNTZZOIJXMGW-SNVBAGLBSA-N 284.340 3.505 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)Cc2ccc(C)s2)c1 737440600 MKINHZURFOCHTN-VBYYMIJXSA-N 289.400 3.821 30 20 CHED COc1cccc(F)c1C(C)=NNc1ccccc1 741810475 KIKZTHLXVYTEMY-UHFFFAOYSA-N 258.296 3.670 30 20 CHED COc1cccc(O)c1/C=N\C[C@H](C)Oc1cccc(C)c1 741844687 PHOPTKPVILULSS-YQNUULROSA-N 299.370 3.596 30 20 CHED CCOCCCON=C(C)c1cc2ccccc2o1 742352346 PARXIMUQUNPKSK-UHFFFAOYSA-N 261.321 3.600 30 20 CHED CCC(CC)(C/N=C\c1cccc(OC)c1O)SC 743044010 CMMUIRMWBQVISL-YBEGLDIGSA-N 281.421 3.742 30 20 CHED Clc1ccc(NN=CC2=Cc3ccccc3OC2)cn1 743449826 GGSVKJSWBVGOFP-UHFFFAOYSA-N 285.734 3.609 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](C)c2cccc(C#N)c2)c1 743501966 UIMWWICHWQIUBQ-RQZLXBNYSA-N 294.354 3.843 30 20 CHED CCCCCCCNCc1ccc(N2CCOCC2)cc1 743573428 XGBFKPYNXOIFCI-UHFFFAOYSA-N 290.451 3.583 30 20 CHED C=CCN(CCc1ccccc1)C[C@@H](O)c1ccc(C)cc1 743843079 OWUMNVCYIIMFDY-HXUWFJFHSA-N 295.426 3.759 30 20 CHED N#CCC1(COC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 744276337 RLZJCSGLAMGPAW-UHFFFAOYSA-N 288.734 3.672 30 20 CHED Cc1ccnc(NN=Cc2coc3ccccc23)c1 746578824 QOZQSACGGOTYTG-UHFFFAOYSA-N 251.289 3.582 30 20 CHED CCO[C@H](CC/N=C/c1cccc(O)c1O)C1CCCC1 746817111 WARMCCGGCODSBI-YAJBTMAUSA-N 291.391 3.502 30 20 CHED C#CC[C@H](OC(=O)c1[nH]c(-c2ccccc2)nc1C)C(C)C 747196685 UWJYYIFFOWPRJW-HNNXBMFYSA-N 296.370 3.590 30 20 CHED C#CCN(Cc1ccn(-c2ccccc2)n1)C1CCCCC1 748802561 KDEOURHSSYYMBT-UHFFFAOYSA-N 293.414 3.640 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc3ncccc3c2)s1 750698567 ZAKNOCSDRVMYPS-UHFFFAOYSA-N 294.335 3.525 30 20 CHED COc1ccc(NN=C(C)Cc2ccccc2OC)cc1 750923928 HSBYHNDTPOFAEW-UHFFFAOYSA-N 284.359 3.734 30 20 CHED CCNc1ccc(C#N)cc1NCCOc1ccccc1F 753138926 RBMDKIDRACAZQK-UHFFFAOYSA-N 299.349 3.620 30 20 CHED C#CCOCCN[C@H](CCC)c1cccc(C(F)(F)F)c1 753762481 RYFQQHUICPFEAZ-OAHLLOKOSA-N 299.336 3.786 30 20 CHED CCCCCCCCNC(=O)NC1CCN(CCC)CC1 754837820 GFMYJYSYVGEOLO-UHFFFAOYSA-N 297.487 3.521 30 20 CHED O=C1/C(=C/c2ccc(O)c(F)c2)Cc2c(F)ccc(F)c21 755599021 NCANRQNSPKDCJD-WEVVVXLNSA-N 290.240 3.632 30 20 CHED Fc1cc(F)cc(C=NNc2cc(F)cc(F)c2)c1 755662037 VABUYSATCOOBEM-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1ccc(C)c(Cl)c1)OCC 755896130 VHVTWLMJMBILDS-HNNXBMFYSA-N 295.810 3.983 30 20 CHED C=C[C@@H](C)NC(=S)Nc1c(C)cc(C)cc1Cl 756795124 GRWZZVGOVLABGQ-SNVBAGLBSA-N 268.813 3.818 30 20 CHED C#CC[C@H](NCc1cc(F)c(F)cc1F)c1ccccc1 756998126 RDPMIMHIQGKYLC-KRWDZBQOSA-N 289.300 3.958 30 20 CHED C#CC[C@@H](NC(=O)Cc1cc(C)ccc1C)c1ccccc1 757599806 VYSPKYIRRNADES-LJQANCHMSA-N 291.394 3.727 30 20 CHED O=C1C(=C/C=C\c2ccc(F)cc2F)C(=O)c2ccccc21 758018500 XFJMOKQGZATMKW-ARJAWSKDSA-N 296.272 3.984 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H](C(C)(C)C)CC1 758885583 IMCKMUQTAIYQJC-HNNXBMFYSA-N 278.440 3.648 30 20 CHED COc1cccc(NN=C2CSCCc3ccccc32)c1 759196393 KLIVIJSYRIBPLY-UHFFFAOYSA-N 298.411 3.801 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](CC)CC1CCCC1 761408445 YGSHOXNNGOQGGN-AWEZNQCLSA-N 266.381 3.671 30 20 CHED C#CCOc1ccccc1-c1noc(/C=C2\CC[C@H](C)C2)n1 761996584 ZZPBPUDZQUBBSL-REQDGWNSSA-N 294.354 3.952 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2cccc(Cl)c2o1 762721616 AUVXRGMEJFUFJD-SNVBAGLBSA-N 276.723 3.508 30 20 CHED C=CC[C@@H](NC(=O)c1cc(C)c(F)c(C)c1)c1ccncc1 764023603 WQYRUKCYBCMQQQ-MRXNPFEDSA-N 298.361 3.885 30 20 CHED C[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)C(C)(C)C 764611835 CJKJFJOTBBHMAJ-VXGBXAGGSA-N 259.349 3.845 30 20 CHED C#CCN(C(=O)N[C@@H](CCC)CCc1ccccc1)C1CC1 764723970 FCINAFNOVZHFLE-KRWDZBQOSA-N 298.430 3.595 30 20 CHED Cc1ccnc(NN=CCc2ccc(F)cc2Cl)c1 766454528 ISJRQDOTGAAPBL-UHFFFAOYSA-N 277.730 3.823 30 20 CHED C#CCCCN(Cc1ccccc1O)C1CCCC1 766901767 RUHAXBNLWDSOHY-UHFFFAOYSA-N 257.377 3.550 30 20 CHED CC#CCCCC(=O)Nc1ccc2sc(C)nc2c1 767099586 YJEGYXMKRQYRLW-UHFFFAOYSA-N 272.373 3.737 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 767244453 YBKSGBDXIFIWLN-WDEREUQCSA-N 298.213 3.652 30 20 CHED CC[C@@H]1CCCC1=NNc1cc(C#N)cc(Cl)n1 768373141 CODTZZBDLOPINZ-SNVBAGLBSA-N 262.744 3.585 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1cccc2ccccc12 769356079 MMVCTOFEGWEDPC-ZDUSSCGKSA-N 270.328 3.726 30 20 CHED COc1cc2c(cc1/C=C/C(=O)c1ccco1)O[C@@H](C)C2 769784057 ONRPUYJHPOZYER-QRGHLMKCSA-N 284.311 3.508 30 20 CHED Fc1ccc(C=NOCc2ccc3ncccc3c2)cc1 769815017 PJUYNDQDRKMIBU-UHFFFAOYSA-N 280.302 3.925 30 20 CHED CC(CCc1ccccc1F)=NNCc1ccc(C#N)cc1 769820596 JOXLSMNRWYAYSN-UHFFFAOYSA-N 295.361 3.796 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1ccc(F)cn1 770602856 SZPOXZIGSILPEX-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C#CCOc1ccccc1N=Cc1ccc(OCC)cc1O 773905100 IXPQKHGCHASZHW-UHFFFAOYSA-N 295.338 3.554 30 20 CHED CCC(=NOC1CCOCC1)c1ccc(CC)cc1 774474380 YBVQPTREQNNNJB-UHFFFAOYSA-N 261.365 3.559 30 20 CHED C#CC[C@H](NCCc1ccc(OC)cc1)c1ccccc1 775399881 VPAYSGSVJOBEAZ-IBGZPJMESA-N 279.383 3.592 30 20 CHED O=C1/C(=C\c2nc3c(s2)CCCC3)Cc2c(F)cccc21 776266489 RJWHSYJJQDTOHS-KTKRTIGZSA-N 299.370 3.983 30 20 CHED CCC(C)(C)CCOC(=O)Cc1ccccc1CC#N 777167123 LKZSRKCAWDJONN-UHFFFAOYSA-N 273.376 3.665 30 20 CHED CC(=NOC1CCCCC1)c1nc(C)sc1C 777457340 QRNZHTAGKZNEEV-UHFFFAOYSA-N 252.383 3.833 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1ccccc1 777911737 NZPKOZGKJCMYFU-VQHVLOKHSA-N 271.247 3.630 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNC(=S)Nc1ccccn1 779783986 OJEPLTDBPUIHNS-LBPRGKRZSA-N 292.452 3.816 30 20 CHED CC(C)(C)c1ccc(NN=C2CCCOCC2)cc1 779824531 CPUIGQYVWUDOQA-UHFFFAOYSA-N 260.381 3.953 30 20 CHED COc1cc(C)ccc1C(=O)O[C@@H](C#N)C1CCCCC1 781344352 UKPPPQYQSNUYBM-INIZCTEOSA-N 287.359 3.633 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1c[nH]c2ccccc12 781987509 JBUFOQFWQFRXSY-UHFFFAOYSA-N 284.359 3.584 30 20 CHED CC(=NNc1cccc2cnccc12)[C@@]1(C)CCCO1 782222446 YUIUYTRPYHMYRY-MRXNPFEDSA-N 269.348 3.592 30 20 CHED C[C@H](OC(=O)c1ccccc1CC#N)c1cccc(C#N)c1 782604589 LPYLOFSLXKEQOA-ZDUSSCGKSA-N 290.322 3.542 30 20 CHED C=CCCCCCOC(=O)/C=C/c1cccc(O)c1 784060302 CMSVMXZDEUYEJS-ZHACJKMWSA-N 260.333 3.695 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(Cl)nc2)cnn1C(C)C 787185863 CNNTZHSLLIILBU-GQCTYLIASA-N 289.766 3.717 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](C(=O)OC)[C@@H]1C 787512406 JQEWZUBDEOWYBX-LSDHHAIUSA-N 297.439 3.537 30 20 CHED C#CCC1(c2nc(-c3ccccc3OC)no2)CCCCC1 788093421 BCCBZWDMKUFCBX-UHFFFAOYSA-N 296.370 3.970 30 20 CHED Clc1ccc(NN=Cc2cc3ccccc3[nH]2)cn1 788434743 VVFUPETXSOTHFD-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CC(C)(C)CC(=NN[C@H](CO)c1ccccc1)C1CC1 788462133 UXVSOWLFZBLXQL-MRXNPFEDSA-N 274.408 3.512 30 20 CHED CC(C[C@H](C)CC(C)C)=NNCCc1ccccn1 789124767 LRCBDLNIBZRETR-CQSZACIVSA-N 261.413 3.662 30 20 CHED C[C@]1(C=NNc2ccc(F)cc2F)CCCS1 792870746 SWBDZXZCDPXYSV-GFCCVEGCSA-N 256.321 3.648 30 20 CHED CCCCCCCCCNC(=O)C[C@H]1CCC(=O)[C@@H]1C 792970340 STOPTJBDNCJSRQ-HUUCEWRRSA-N 281.440 3.859 30 20 CHED CC(=NNc1cccc2ccccc12)C(C)(C)n1cncn1 794501196 BELDPAOXLUAFCM-UHFFFAOYSA-N 293.374 3.654 30 20 CHED CSCCON=C(C)Cc1ccc(Cl)cc1 794576084 BOWVIXTZZBBSBG-UHFFFAOYSA-N 257.786 3.638 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1cccc(C(F)(F)F)c1 794692838 YCOSUZJHVRRJAA-SREVYHEPSA-N 294.276 3.643 30 20 CHED Clc1ccc(NN=C2CCC[C@H]2c2ccccn2)cn1 794914147 HDHDWEPTXHTTPH-LBPRGKRZSA-N 286.766 3.866 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(C#N)c2)s1 799339823 WAJLKIPMKMHOIG-GFCCVEGCSA-N 298.411 3.598 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@H](c2cccnc2)C1 800231501 BEHDVTLZNRPIFT-GXTWGEPZSA-N 295.224 3.606 30 20 CHED Cc1cc(C(=O)/C=C/c2ncc(C(C)(C)C)s2)no1 806556170 OYXZQSRKSSFBGY-AATRIKPKSA-N 276.361 3.633 30 20 CHED CC(C)(CCC#N)CNC(=S)Nc1ccccc1Cl 806599132 XZQCDMCHEPMJBT-UHFFFAOYSA-N 295.839 3.956 30 20 CHED C=CCCCCCCNC(=O)NC[C@@H]1CCCSC1 807572203 DDKFVQCOCSDHDR-AWEZNQCLSA-N 284.469 3.565 30 20 CHED Cc1ccc(C=NNc2nccnc2C2CCC2)s1 807995034 YIBPXHSBWXPEPD-UHFFFAOYSA-N 272.377 3.560 30 20 CHED N#CCCn1cc(C=NNCC2CCCC2)c2ccccc21 808005864 KLHFNWNJVCEOFR-UHFFFAOYSA-N 294.402 3.669 30 20 CHED C#CCCc1noc(-c2cccc3ccsc23)n1 809397852 HNVWMJCVIPUZLV-UHFFFAOYSA-N 254.314 3.517 30 20 CHED CCCCCCCCNC(=O)c1c(F)ccc(O)c1F 809736123 GAKFAYIRTFTFRA-UHFFFAOYSA-N 285.334 3.761 30 20 CHED C=CCCCCOC(=O)Cc1c[nH]c2cc(F)ccc12 811008245 BYVDZGTZJNBQGO-UHFFFAOYSA-N 275.323 3.749 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc2c(c1)CCO2 811687818 JEMYMOVEEATSGE-XQRVVYSFSA-N 293.297 3.528 30 20 CHED Cc1cccc2c1OC/C(=C/c1cccc(F)c1C#N)C2=O 811688836 UBYDZDXWFYPBJL-JYRVWZFOSA-N 293.297 3.665 30 20 CHED C#C[C@@H](NC(=O)N[C@H](C)C1CCC1)c1ccc(Cl)cc1 811898428 QHSBJAKOJOGWMB-IAQYHMDHSA-N 290.794 3.502 30 20 CHED Clc1cc(C=NOC2CCC2)c2ncccc2c1 812236483 NBAQMBMINKIDLU-UHFFFAOYSA-N 260.724 3.791 30 20 CHED CC(C)OCCON=Cc1ccc(-c2ccc(F)cc2)o1 812238215 WAFFKHKFWJPUNQ-UHFFFAOYSA-N 291.322 3.861 30 20 CHED C#Cc1ccccc1CC(=O)N1c2ccccc2CC[C@@H]1C 812832790 GBJAOCMOPUJITP-HNNXBMFYSA-N 289.378 3.578 30 20 CHED CC(C)[C@@H](C)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813210995 BYMJCOOCLZAJFR-KOLCDFICSA-N 284.281 3.569 30 20 CHED CCCCCC(C)(C)C(=O)N[C@@H](C#N)C(C)(C)C 813283745 CNJQBTFCTXXGDM-LBPRGKRZSA-N 252.402 3.647 30 20 CHED COc1cccc(NN=C(C)c2cccc(CN(C)C)c2)c1 814777812 XQKWCPPHWCZQJU-UHFFFAOYSA-N 297.402 3.593 30 20 CHED C[C@@H]1C(=NNCCC(C)(C)C)CC[C@H](C(=O)O)C1(C)C 814901313 IAJOHZNRVQEUJJ-VXGBXAGGSA-N 282.428 3.525 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccsc1C 814931292 PTLNPTWPRBCQDG-UHFFFAOYSA-N 275.333 3.719 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccc(F)cc1O 814945773 PIDIJIAQRUINMD-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(Cl)ccc1OC 815313806 UXBXASURKSEHGZ-UHFFFAOYSA-N 290.693 3.603 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H]1CC2CCC1CC2 815905424 MWBBTXNQDGYMMB-PESDSKBTSA-N 299.370 3.689 30 20 CHED CCCCCCCCC(=O)NC1CCC(N(C)C)CC1 817484640 YVUNDCNSRJWPMR-UHFFFAOYSA-N 282.472 3.726 30 20 CHED Cc1ccc2c(c1C)C(=NN[C@@H](C)c1ccncc1)CCO2 819815075 LOVPVQDLKXBYOZ-AWEZNQCLSA-N 295.386 3.536 30 20 CHED C#CCCCCNC(=O)Nc1cc(C)ccc1C(F)(F)F 825441351 PAKJWEPUEQZBPY-UHFFFAOYSA-N 298.308 3.939 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)c(F)c(F)c1F 828363530 IQLGNRRUEXMMBO-ZETCQYMHSA-N 275.245 3.784 30 20 CHED CC(C)C#CC(=O)NC1(c2c(Cl)cccc2Cl)CC1 830121949 UZPMVVVRYHNIGO-UHFFFAOYSA-N 296.197 3.758 30 20 CHED C#CCCOc1ccc(-c2nc([C@@H](C)C3CC3)no2)cc1 834645368 DIUKPAJTTWHVHL-LBPRGKRZSA-N 282.343 3.652 30 20 CHED c1ccc2nc(NN=C3CCOC4(CCC4)C3)ccc2c1 834919106 GFWKCMQABLNHQZ-UHFFFAOYSA-N 281.359 3.736 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1cccc(OC(F)F)c1 834996391 ROSQHVNHGAFNMK-QMMMGPOBSA-N 296.239 3.552 30 20 CHED CC(=NNc1ccncn1)c1ccc(SC(C)C)cc1 835000977 CGFNGXVAANCUHW-UHFFFAOYSA-N 286.404 3.813 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccc(C(=O)O)c(F)c1 835010308 WWPXJZNESLXNOM-QWRGUYRKSA-N 278.327 3.748 30 20 CHED C=CCC1(C(=O)OCc2cc(OC)cc(C)n2)CCCC1 835260677 RWSFOYANXZDYKB-UHFFFAOYSA-N 289.375 3.578 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)c1nnc(-c2cccs2)o1 837862967 DQJCYWNZSOLKSU-VIFPVBQESA-N 292.360 3.615 30 20 CHED C#CCC[C@@H](C)OC(=O)c1csc(-c2cccs2)n1 839033451 DMRBRTMRRRATKZ-SNVBAGLBSA-N 291.397 3.830 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(N)cc1 841300861 XNUQQQZRDWMYKV-UHFFFAOYSA-N 287.407 3.869 30 20 CHED Cc1cc(NN=C[C@@]2(C)C[C@@H]2c2ccccc2)nc(C)n1 841619905 SRILXXRLPJXXJI-NVXWUHKLSA-N 280.375 3.685 30 20 CHED Cc1ccc(C=NOCc2nnc(C(C)C)s2)cc1 842018696 DUMCAZWTUDYSHC-UHFFFAOYSA-N 275.377 3.521 30 20 CHED C#CCCCn1c(C)c(C(C)C)c(=O)c2ccccc21 842044377 KBLJJMHKYVWVOB-UHFFFAOYSA-N 267.372 3.847 30 20 CHED C[C@H](OC(=O)[C@@H]1CCSc2ccccc21)C(C)(C)C#N 842325881 WHXUTHLTGTVRGC-WCQYABFASA-N 289.400 3.747 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)[C@@H](N)c2ccccc2)n1 843235215 LVWMPOGUIJEODY-GXTWGEPZSA-N 285.391 3.727 30 20 CHED C=CCNC(=S)N(Cc1ccc(CC)cc1)CC(C)C 843276184 ZVNIBOJORZAJAZ-UHFFFAOYSA-N 290.476 3.768 30 20 CHED C#Cc1cccc(NC(=S)NCCCCCC)c1 844256956 CYVSWAMLASUIHH-UHFFFAOYSA-N 260.406 3.535 30 20 CHED COc1ccc(N[C@H](C)Cc2cccs2)cc1C#N 846747237 DXUOLRLAKMYHCO-LLVKDONJSA-N 272.373 3.671 30 20 CHED CC(C)(C#N)CCCOC(=O)CC[C@@H]1CC1(Cl)Cl 849876580 RUGRHULFIDTRGM-SNVBAGLBSA-N 292.206 3.834 30 20 CHED C=CCC[C@H](OC(=O)c1ncnc2ccsc12)C1CC1 850906823 XTNKKKMJEDGFTL-LBPRGKRZSA-N 288.372 3.593 30 20 CHED C=C[C@H](OC(=O)c1cn(C(C)C)nc1C)c1ccccc1 851452717 WAWMUOZCXJEKFP-INIZCTEOSA-N 284.359 3.857 30 20 CHED CSc1ccc(C=NN2CCCC[C@H]2C)s1 853381804 LYUJUYZFAMJPFJ-SNVBAGLBSA-N 254.424 3.678 30 20 CHED C#C[C@H](OC(=O)C=C1CCSCC1)c1ccc(C)cc1 860964698 WOIXIPXQQCNGGY-INIZCTEOSA-N 286.396 3.666 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2ccc(C=O)cc2)CCCC1(C)C 861339607 WOVCADMWILCJSE-KRWDZBQOSA-N 299.414 3.635 30 20 CHED CC(C)(C#N)OC(=O)c1cc(Cl)cc(Cl)c1F 870240691 JBVFTFJGURNESD-UHFFFAOYSA-N 276.094 3.591 30 20 CHED CC[C@@H](NC[C@@H](C)CCC#N)c1ccccc1OC 876927475 DBGCYTVBBWQOMJ-DZGCQCFKSA-N 260.381 3.676 30 20 CHED C=CCCCCCCNC(=O)c1c[nH]cc1C1CC1 879978890 JBGPYBXKAAFGPS-UHFFFAOYSA-N 260.381 3.758 30 20 CHED CC(C)(C#N)CCOC(=O)CCCC(=O)c1ccccc1 885187907 CAQCREUERYQXCG-UHFFFAOYSA-N 287.359 3.523 30 20 CHED C=C1CCC(C(=O)N2CCc3c(Cl)cccc3C2)CC1 889105085 FSUZEMGTUORVFE-UHFFFAOYSA-N 289.806 3.971 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2cc(C#N)ccc2F)CC1 891452647 BKYFPIHGHOMYDJ-ZDUSSCGKSA-N 272.323 3.772 30 20 CHED CCCSC[C@@H](C)N[C@H](C)c1cccc(C#N)c1 893076419 AZUOOYKJORZMOO-CHWSQXEVSA-N 262.422 3.741 30 20 CHED C=C1CC(c2noc(-c3cccc(OC(F)F)c3)n2)C1 896890617 LSUIDHULOKGNOA-UHFFFAOYSA-N 278.258 3.772 30 20 CHED C#Cc1ccc(NCc2ncc(C(C)C)s2)cc1 898505010 JLHHGNLFHGDEQZ-UHFFFAOYSA-N 256.374 3.860 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1ccc(F)cc1F 899342559 ZOVKUDBSNUYXMO-QPJJXVBHSA-N 288.297 3.782 30 20 CHED Cc1cccc(C(=O)/C=C\c2cncn2C(C)C)c1 901427477 JNKBDAYAZRKGGV-FPLPWBNLSA-N 254.333 3.669 30 20 CHED CCn1cncc1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 901488830 INUCIBBWFXUNCX-SLVCOGOPSA-N 278.355 3.603 30 20 CHED CC(C)(C#N)CCSc1nc(O)cc(-c2ccccc2)n1 901618472 HDMAHDVVRKRESA-UHFFFAOYSA-N 299.399 3.881 30 20 CHED CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cc(F)ccc1OC 903371436 SMRZNWUFHVOKGC-INWMFGNUSA-N 290.382 3.957 30 20 CHED C=CCCC[C@H](N)c1nc([C@@H](C)C(C)(C)C)no1 904612187 JHMJJDFLNMBYRE-MNOVXSKESA-N 251.374 3.575 30 20 CHED C=CCc1ccc(OC(=O)CSCCCC)c(OC)c1 914465046 UUUIMIQACWFGOH-UHFFFAOYSA-N 294.416 3.862 30 20 CHED C=CCN(C(=O)CCOc1ccc(F)c(Cl)c1)C(C)C 915854542 NZYARFYAJPWVKN-UHFFFAOYSA-N 299.773 3.671 30 20 CHED Cc1cccc(NN=Cc2c(C)nc3scc(C)n23)c1 916256036 IKEUKQLBVZUUNY-UHFFFAOYSA-N 284.388 3.767 30 20 CHED CCCCCCCOC(=O)CSc1ccncc1 918493369 QNXZJZLCXMSHQR-UHFFFAOYSA-N 267.394 3.687 30 20 CHED C#CCCOC(=O)c1ccc(Oc2ccccc2)cc1 918501855 QMKBSORHJGCBGN-UHFFFAOYSA-N 266.296 3.659 30 20 CHED C=C(Br)CN1CC=C(c2ccc(F)cc2)CC1 919647988 XOWNOMYRIGZDOF-UHFFFAOYSA-N 296.183 3.823 30 20 CHED C[C@@H](C/N=C\c1ccccc1O)c1ccc(F)cc1 920177527 HNXXDVNSTCTDIK-SJWFJVLYSA-N 257.308 3.754 30 20 CHED Cc1cc(NN=Cc2cccnc2)ccc1Br 920479279 MGDRQRSEZPDYHA-UHFFFAOYSA-N 290.164 3.599 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(O)cc1)C2=O 921264743 XZELZGBPDLLITB-ZROIWOOFSA-N 250.297 3.523 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCOc1ccccc1F 924664323 PMOQEQVDAYAWOQ-CYBMUJFWSA-N 278.371 3.513 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1N1CCCC1 929762531 NZEMNICCWOQRJL-CQSZACIVSA-N 272.392 3.828 30 20 CHED CC(C)(C)c1ccc2[nH]c(C(=O)NCCCCC#N)cc2c1 931968691 UQJHWKAVGCCULD-UHFFFAOYSA-N 297.402 3.889 30 20 CHED CN(C)c1ncccc1/C=C\C(=O)c1csc(Cl)c1 1117352089 YZOHAYIXCDKUGP-WAYWQWQTSA-N 292.791 3.759 30 20 CHED CCCC(C)(C)c1nnc(-c2ccc(C#N)cc2)o1 1118371950 LKIDAWSCSCJMAU-UHFFFAOYSA-N 255.321 3.686 30 20 CHED CC[C@@H](C(=O)N[C@H](C#N)C1CCCC1)c1ccc(F)cc1 1119446788 XNMYYTWQZFEGKK-HZPDHXFCSA-N 288.366 3.518 30 20 CHED C=C(CC(C)C)C(=O)N[C@H]1CSc2ccccc21 1123572499 UBCSKQMLTDXGJU-ZDUSSCGKSA-N 261.390 3.552 30 20 CHED Cc1cccc2oc(C(=O)NCc3cccc(C#N)c3)cc12 1124842972 MTCHFKVIMZOQDF-UHFFFAOYSA-N 290.322 3.543 30 20 CHED N#Cc1cc(C(=O)Nc2cncc(Cl)c2)ccc1Cl 1133792252 XEDWCRXMLPBSBL-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cccc2ncccc12 1137628078 MPHSZXCYJHZJFU-UHFFFAOYSA-N 287.366 3.738 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC23CCC3)n1 1187541446 LFUFIYASTWPYDL-CYBMUJFWSA-N 255.365 3.605 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H]1CCc2ccccc21 1205650688 RCGZDFUGLBMIAW-XLIONFOSSA-N 288.394 3.865 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc(C#N)cc1 1275981632 BIZYTHRBDCBDBR-MSOLQXFVSA-N 298.430 3.823 30 20 CHED COC(=O)[C@@H]1CCCC[C@@H]1CSc1ccc(C#N)cc1 1307292112 GYAREPDQDLLPMW-UKRRQHHQSA-N 289.400 3.630 30 20 CHED CC(C)(C)C[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1 1307847892 PSTTXXHOYXGCLB-ZDUSSCGKSA-N 274.383 3.955 30 20 CHED N#Cc1ccc(CNCc2cccn2C(F)F)cc1Cl 1308716316 VRKMYQLOXCDSAV-UHFFFAOYSA-N 295.720 3.698 30 20 CHED O=C(/C=C/c1ccc(N2CCCC2)cc1)c1ccco1 1319279915 YISUJRDLJQVBRS-JXMROGBWSA-N 267.328 3.776 30 20 CHED COc1c(C)ccc(NC(=O)CC#Cc2ccccc2)c1C 1319656745 SBZFQJGMAAMSIJ-UHFFFAOYSA-N 293.366 3.692 30 20 CHED CC[C@H](NCc1cccc(OCC#N)c1)c1cccc(F)c1 1324333531 DCDNVGQJRRQFCV-SFHVURJKSA-N 298.361 3.969 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1csc(C#N)c1 1325182122 ZLPYRLIJCSKVAJ-RISCZKNCSA-N 276.405 3.661 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(OCC#N)cc2)cc1 1327068713 WLSJJQRSKKVORI-UHFFFAOYSA-N 295.342 3.566 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]2c2ccsc2)cs1 1330503742 GRKNCWQJALQUGI-ZDUSSCGKSA-N 288.397 3.659 30 20 CHED COc1cc(NC(=O)/C(C)=C\C(C)(C)C)c(F)cc1C#N 1334273578 AOBLFUQTZIKWCB-NTMALXAHSA-N 290.338 3.637 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1ccnc(C)n1 1335813401 AMYDLGGRDHNDSQ-CYBMUJFWSA-N 296.418 3.983 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(Cl)c2occc12 1337580919 NOAOEJSMAFCEPS-SNVBAGLBSA-N 290.750 3.850 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@H](C)c2ccccc2C)n1 1341725582 XCQALESHFFSBER-OCCSQVGLSA-N 284.384 3.740 30 20 CHED C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N(C)CCC 1341932636 ZEWAJYXTNPXREI-GFCCVEGCSA-N 298.381 3.603 30 20 CHED C=C(C)CCC(=O)N(Cc1ccc(OC)cc1)C1CC1 1357262378 RWCLOEUIRNRCJA-UHFFFAOYSA-N 273.376 3.543 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2ccsc2C#N)c1C 1456252393 ISODFUDUJIQZSV-LBPRGKRZSA-N 284.384 3.728 30 20 CHED CC[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccccn1 1458617302 JZYCAPHLXXKUKY-NSHDSACASA-N 272.739 3.565 30 20 CHED Cc1ccc(F)c(CN(C)[C@H](C#N)c2ccccc2)c1 1460027248 XDFMJWVVQBSBOZ-QGZVFWFLSA-N 268.335 3.831 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(F)c1 1460673891 NMTYFGCHEDGJFF-RISCZKNCSA-N 274.339 3.852 30 20 CHED C[C@@H](C#N)CN(C1CC1)[C@H](C)c1nccc2ccccc12 1461929778 XTFOZPMQJRIADE-UONOGXRCSA-N 279.387 3.920 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)c1ccoc1C1CC1 1525833060 KDNNUFWUWOSMEL-CYBMUJFWSA-N 295.338 3.539 30 20 CHED C=C(CC(C)C)C(=O)Nc1ncsc1C1CC1 1528790801 QNOIEMMASRAWLK-UHFFFAOYSA-N 250.367 3.561 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1csc(C#N)c1 1529824708 ONJZEWJPPQLPFI-DOMZBBRYSA-N 290.432 3.954 30 20 CHED N#Cc1cc(NC(=O)c2ccc3c(c2)CCC3)c(F)cc1F 1535855383 IWDPSFTXOPMMPH-UHFFFAOYSA-N 298.292 3.577 30 20 CHED Cc1cc(N(C)CCc2ccc(Cl)cc2)c(C#N)cn1 1559154069 QOYPVNZCLPTRJJ-UHFFFAOYSA-N 285.778 3.594 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C(=O)O)c2ccccc2c1 1573346680 GFEVSIQGBRYDRL-UHFFFAOYSA-N 283.327 3.689 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2ccc(F)c(Cl)c2)c1 1602549819 BPGQAXSKSKPSMU-RQOWECAXSA-N 294.665 3.666 30 20 CHED C[C@@H]1C/C(=C\c2cc(C(=O)O)co2)C(=O)c2sccc21 1609843810 WOYUXWJFMKVJCV-CBVZUMJXSA-N 288.324 3.813 30 20 CHED COc1cc(C#N)ccc1CN[C@H]1CCC(C)(C)C[C@H]1C 1617401676 OLWQPWAGHUAIJB-CJNGLKHVSA-N 286.419 3.871 30 20 CHED N#Cc1cccc2c1CCN2Cc1cc(Cl)ccc1F 1618684838 NLSCMCQLDZVEQZ-UHFFFAOYSA-N 286.737 3.913 30 20 CHED N#Cc1c(F)cc(C(=O)NCCC2CCCCC2)cc1F 1624392356 KMLQIUDOVVYAFL-UHFFFAOYSA-N 292.329 3.537 30 20 CHED Cc1cc(NCc2c(F)cccc2Cl)ncc1C#N 1639363246 CRQYCAHETHIEQR-UHFFFAOYSA-N 275.714 3.666 30 20 CHED CCc1nc(C#N)cc(N2CC3(CCCCC3)[C@H]2C(C)C)n1 1640008894 GJIWJNMBOHYOSB-QGZVFWFLSA-N 298.434 3.706 30 20 CHED CC(C)SCCN1CCC(c2ccc(C#N)cc2)CC1 1655734186 ZHDURDLMRISYPE-UHFFFAOYSA-N 288.460 3.879 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccccc1C(=O)O 1776048121 PMTNKSTXUZCIBK-UHFFFAOYSA-N 286.306 3.668 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CC2(CCCC2)C1 1776050799 DCJMUHQYYRCJDH-UHFFFAOYSA-N 288.347 3.516 30 20 CHED C=C(C)CON=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1 1776090705 WERWSVMDGDEHKP-UHFFFAOYSA-N 295.338 3.978 30 20 CHED O=C(O)c1cc(/C=C\C(=O)c2cc(F)ccc2F)cs1 1776113543 NICRHDGZCNWWOX-RJRFIUFISA-N 294.278 3.621 30 20 CHED C=CCCCN(CC)Cc1ccc(C2(C(=O)O)CC2)cc1 1776174104 OFFYILPQWKZBKI-UHFFFAOYSA-N 287.403 3.591 30 20 CHED C=CCN(CC=C)Cc1cc2sc(C(=O)O)cc2s1 1776177248 GWBABORMFCHRSY-UHFFFAOYSA-N 293.413 3.835 30 20 CHED CC1(C)CCC/C(=C/c2ccc(C(=O)O)s2)C1=O 1776548705 ZTFBFKAUEZAHMJ-HJWRWDBZSA-N 264.346 3.609 30 20 CHED C[C@@H]1Cc2ccccc2C(=O)/C1=C/c1cc(C(=O)O)cs1 1776665883 HVTSQFSYHCHTCP-XBLUXWHVSA-N 298.363 3.905 30 20 CHED Fc1cccc2c1SCCC2=NNc1ccccn1 15661024 BNOOFBDMSATDLH-UHFFFAOYSA-N 273.336 3.533 30 20 CHED CCOc1ccccc1OCc1ccc(C#N)cc1F 19804844 JRPFABZVXFSOFB-UHFFFAOYSA-N 271.291 3.675 30 20 CHED CCOc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 35256360 SVDZARZTHAMLGD-CQSZACIVSA-N 280.371 3.808 30 20 CHED C[C@H](CNc1ccc(CC#N)cc1)c1ccccc1 37071205 UMIBWRQNTBMRFZ-CQSZACIVSA-N 250.345 3.968 30 20 CHED C[C@@H](CC(=O)Nc1ccccc1C#N)CC(C)(C)C 37300756 ISFNDVVIEXHBQH-LBPRGKRZSA-N 258.365 3.959 30 20 CHED C#Cc1cccc(NC(=O)N(CC)Cc2ccccc2)c1 43986297 UCWYRHJFVCXUKU-UHFFFAOYSA-N 278.355 3.722 30 20 CHED CCc1cc(C(=O)[C@H](C#N)c2ccccn2)sc1C 46706130 AJFVHDDHWYDDNI-GFCCVEGCSA-N 270.357 3.504 30 20 CHED CCC1CCC(NCc2cccc(OCC#N)c2)CC1 48401033 MKCIFDONIPTUIL-UHFFFAOYSA-N 272.392 3.647 30 20 CHED N#Cc1ccc(SCc2cccc(C#N)c2)cc1 48512134 SBYZSKYJZPKPEE-UHFFFAOYSA-N 250.326 3.722 30 20 CHED N#Cc1cc(NC(=O)CC(C2CC2)C2CC2)ccc1Cl 49182285 CQDXVZGRQPKKPX-UHFFFAOYSA-N 288.778 3.976 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 53365834 CNDFVYDEBWWUNJ-HIFRSBDPSA-N 273.376 3.536 30 20 CHED CCCCc1oc2ccccc2c1CN(C)CC#N 53402376 LSHPWIPWRGZDNY-UHFFFAOYSA-N 256.349 3.731 30 20 CHED CC(C)c1ccc(-n2ccnc2SCC#N)cc1 57545233 ZGILNTMQLYEAFJ-UHFFFAOYSA-N 257.362 3.611 30 20 CHED CCCCCCCCOCC(=O)Nc1ccccc1N 59083110 SILARYQUNCNNHV-UHFFFAOYSA-N 278.396 3.584 30 20 CHED C[C@@H](CC(=O)N(C)CCC#N)c1ccc(C(F)(F)F)cc1 72030011 GXCVWAOKNVGOJL-NSHDSACASA-N 298.308 3.571 30 20 CHED N#CCSCCCSc1ccc2ccccc2n1 75075378 CCNAONOSZVOHBF-UHFFFAOYSA-N 274.414 3.974 30 20 CHED CCc1sc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1C 75276210 FZPRQKFZWYMXIT-LBPRGKRZSA-N 298.411 3.982 30 20 CHED Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)c(C)c1 75459178 DRZDGQRXTUCITF-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)cn1 76106485 CMDRRXAODHKYRP-ONEGZZNKSA-N 294.276 3.777 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1OCC1CC1 77729027 KCLAYAUPWDPJKJ-UHFFFAOYSA-N 288.391 3.905 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1 86284224 HUKCJNMQMJOTMI-STQMWFEESA-N 289.379 3.630 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C#N)cc2Br)CS1 86935070 JRNGRXWEZZTKSE-SCZZXKLOSA-N 297.221 3.627 30 20 CHED CCCC[C@@H](COC)N[C@H](CCC#N)c1ccccc1 90665299 WHINXKKRHNSEEF-DLBZAZTESA-N 274.408 3.826 30 20 CHED CC1(C)CCN(c2ccc(C(F)(F)F)cc2C#N)C1 94802792 SSGXNRWAZXSYIV-UHFFFAOYSA-N 268.282 3.813 30 20 CHED N#Cc1cccc(NC(=O)/C=C\c2ccc3ccccc3n2)c1 96533307 NZHMVFGUWVXQEX-KHPPLWFESA-N 299.333 3.758 30 20 CHED CCN(CCCCCOC)[C@@H](C)c1ccc(C#N)cc1 103226873 XWPAFZILILSYOV-HNNXBMFYSA-N 274.408 3.758 30 20 CHED CN(c1cccc(F)c1C#N)[C@H]1CCc2ccccc21 110195374 JCLLWVODXLSPGX-KRWDZBQOSA-N 266.319 3.821 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2ccccc2)c1 113961433 LVOVVEFLOMTCPG-KRWDZBQOSA-N 280.371 3.657 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC(F)F)c(F)c1 117001830 FUYSFCOHSZOPGR-MRVPVSSYSA-N 288.269 3.513 30 20 CHED C=CCC[C@H](N[C@@H](C)C[C@@H](O)c1ccc(F)cc1)C1CC1 121020328 ILBWISXXWXJTQQ-DOPJRALCSA-N 291.410 3.972 30 20 CHED C=CCc1ccc(OC(=O)[C@H](C)OCCCC)c(OC)c1 123929203 HUZWNDRCLPMSMY-ZDUSSCGKSA-N 292.375 3.534 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H](C)c1cccc(Cl)c1 126820166 APJSGVZNUJIULD-MNOVXSKESA-N 283.824 3.825 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cncs2)cc1 129968933 BEPLBVKBYCLNKZ-CMDGGOBGSA-N 257.358 3.992 30 20 CHED N#CCC[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 130605483 QKZYTUWEWWJLSU-DKIMLUQUSA-N 266.388 3.833 30 20 CHED CCCN(CC#N)C(=O)CCC(C)(C)c1ccccc1 132389975 UYFPOUXSYFUOHK-UHFFFAOYSA-N 272.392 3.507 30 20 CHED CC(C)(C#N)c1ccccc1COc1cccc(C=O)c1 133793762 DIXBMHFUUMGOIW-UHFFFAOYSA-N 279.339 3.879 30 20 CHED Cc1cccc([C@H]2CCCN2c2cccc(F)c2C#N)n1 150938329 BHYPSHAJHGZJOO-QGZVFWFLSA-N 281.334 3.742 30 20 CHED C=CCC(CC=C)C(=O)N1CCS[C@@H]2CCCC[C@@H]21 151798189 AHPKFZMYKFWGQG-LSDHHAIUSA-N 279.449 3.641 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 152829191 FVNRMDXGNHDHJH-ZYHUDNBSSA-N 292.329 3.535 30 20 CHED N#Cc1ccc(CNc2c(F)cccc2N2CCCC2)cc1 153833669 HLKZSPNWPUBSMO-UHFFFAOYSA-N 295.361 3.910 30 20 CHED C=CCCCn1ccc2ccn(Cc3ccccc3)c2c1=O 156984423 SZKVDRCWZKGACF-UHFFFAOYSA-N 292.382 3.818 30 20 CHED CCSCC[C@H](C)Nc1c(F)cc(C#N)cc1F 158747210 AXIHBYOHTHYMKA-VIFPVBQESA-N 270.348 3.780 30 20 CHED CC[C@H](C#N)NC(=O)CC1CCC(C(C)(C)C)CC1 158895654 IFXFXJCNVSBWOZ-JXQTWKCFSA-N 264.413 3.647 30 20 CHED COC(=O)c1occc1/C=C/C(=O)c1coc2ccccc12 159034670 LMUTXADKUOMTHH-VOTSOKGWSA-N 296.278 3.709 30 20 CHED N#CCCN(C/C=C/c1ccc(F)cc1)Cc1ccco1 159600755 KCEKAPZLFQHBEV-DAFODLJHSA-N 284.334 3.848 30 20 CHED Cc1ccccc1Sc1ccc(C(=O)N[C@@H](C)C#N)cc1 161030851 VDXXAKAIBPFCTN-ZDUSSCGKSA-N 296.395 3.788 30 20 CHED CSc1ccsc1C(=O)N[C@H](C#N)C1CCCCC1 162283922 LUXJUJBMCJPDSD-LLVKDONJSA-N 294.445 3.672 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)CSCc1ccccc1 162786300 ONJOORJGYQZDKK-UONOGXRCSA-N 277.433 3.637 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCC[C@H](C)C1 163834667 QESBLZVUKDWVDO-GJZGRUSLSA-N 264.413 3.601 30 20 CHED C=C(Br)CNC1CC(c2ccc(C)cc2)C1 164021112 LRJUJHPTLBLWCI-UHFFFAOYSA-N 280.209 3.739 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C)c(OC)c1C 171517776 YTWBDDRXDADAQM-UHFFFAOYSA-N 276.380 3.742 30 20 CHED Cc1cccc([C@@H](C)NC(=O)Cc2ccc(C#N)cc2)c1C 172170393 KKPQDEKBPWHCOH-OAHLLOKOSA-N 292.382 3.595 30 20 CHED C/C(=N\O[C@@H](C)c1nnc(C)o1)c1cc2ccccc2o1 174084647 SIIMDBFDIJMNER-NTOSSWPYSA-N 285.303 3.626 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 174098305 INWZCKUBVMFMAJ-VIFPVBQESA-N 297.280 3.663 30 20 CHED C#C[C@H](C)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 174445688 PGCVUACWJXVMFX-STQMWFEESA-N 282.339 3.517 30 20 CHED C#CCCCNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 174564652 NKOWKARQXCIBSP-UHFFFAOYSA-N 290.366 3.793 30 20 CHED C=CCCCC(=O)NC[C@@H](c1ccccc1)C(C)C 175278670 TUKPTSNMPSUVLF-MRXNPFEDSA-N 259.393 3.899 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)C1CC1 175321700 LWPFZBZJFYIIGK-PELKAZGASA-N 297.185 3.720 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1csc(-c2ccccc2)n1 176031489 VHJHJUNTABZYRO-CYBMUJFWSA-N 286.356 3.515 30 20 CHED CCCCC[C@@H](C(=O)NCCCCC#N)C(C)C 176173912 DTDPAYVZVKGABG-CQSZACIVSA-N 252.402 3.649 30 20 CHED CC(C)(C)c1ncsc1C(=O)Nc1ccc(CC#N)cc1 176438442 OERFLQPHGSFDCV-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C#CCCCN[C@H](C)c1nc(-c2ccccc2)cs1 178061452 SUPHCFBMSSUWLJ-CYBMUJFWSA-N 270.401 3.874 30 20 CHED C#CCCSc1nc2ccccc2c(=O)n1C1CCCC1 178162120 RHVVFYPISLPXSE-UHFFFAOYSA-N 298.411 3.627 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H]1CCc2ccccc21 179655326 WAHMQRFMBRATMI-SFHVURJKSA-N 292.382 3.686 30 20 CHED C#CCCCCC(=O)Nc1cc(C(F)(F)F)ccc1O 180490160 SDMRNVIPLIQSPV-UHFFFAOYSA-N 285.265 3.543 30 20 CHED CCC[C@H]1C[C@H](C(=O)NC(C#N)(CCC)CCC)CCO1 181006116 RYZXTZCIKGPLLT-CABCVRRESA-N 294.439 3.560 30 20 CHED Cc1ccc([C@H]2CCCCCN2C(=O)c2c[nH]c(C#N)c2)o1 181307285 CQKWQFIWOYTQCH-OAHLLOKOSA-N 297.358 3.545 30 20 CHED C[C@H](NC[C@@H](C)Oc1cccc(F)c1)c1cccc(C#N)c1 181827139 RNVKGAQNRCGWIV-KGLIPLIRSA-N 298.361 3.815 30 20 CHED COc1ccc([C@H](NCCCSCC#N)C(C)C)cc1 182058836 QXVVQBTZQSZLKL-MRXNPFEDSA-N 292.448 3.629 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(N(C)C)cc1 182757908 XIGQKTQJCQUWDA-ZDUSSCGKSA-N 275.396 3.619 30 20 CHED CCN(C(=O)NC[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1 182766863 RUHYMZOJGXUGJC-QWHCGFSZSA-N 299.374 3.685 30 20 CHED C#CCC(C)(C)C(=O)N(CC)Cc1ccccc1Cl 185235013 SCJRNQQZNYQUHP-UHFFFAOYSA-N 277.795 3.738 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](CCC)Cc1ccccc1 185449528 RJOJLEVVFVXADM-INIZCTEOSA-N 271.404 3.564 30 20 CHED C[C@H](CN[C@H]1CCC[C@H](C#N)C1)Cc1cccs1 185848439 BVLWNOOBEZEGPV-IHRRRGAJSA-N 262.422 3.599 30 20 CHED COc1cc(C)c(NC(=O)C2(C#N)CCCCC2)cc1F 186045088 XEOYQKZIZPLDIK-UHFFFAOYSA-N 290.338 3.555 30 20 CHED C[C@H](CCC#N)Sc1ccc(C(F)(F)F)cn1 188261902 KNOVWUJWAVOPOL-MRVPVSSYSA-N 260.284 3.885 30 20 CHED CC(C)Oc1ccc(NC(=O)C(C)(C)C#N)c(Cl)c1 188336764 KITZKENDIXCNFN-UHFFFAOYSA-N 280.755 3.615 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C(C)C)CC1 188411853 BVWSFSABBOKHFX-ZBFHGGJFSA-N 251.414 3.873 30 20 CHED C=CCC[C@@H](C(=O)NCc1ccncc1C)c1ccccc1 188847118 DFQSTZQJAQVEHB-GOSISDBHSA-N 294.398 3.756 30 20 CHED CCN(CC)CCS[C@@H](C)c1cccc(C#N)c1 189850987 UTGJBCUXXLAIPH-ZDUSSCGKSA-N 262.422 3.694 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H](C)CC 191285152 VELHSAOWKWQUPM-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED C[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 194621827 BHJTXEVSRPYLST-NSHDSACASA-N 268.272 3.606 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(OC)c(O)c1)c1ccccc1 195198741 WDJKYHWQRJCJDZ-ZDUSSCGKSA-N 297.354 3.699 30 20 CHED Cc1ccc(F)cc1CNc1ccc(OCC#N)cc1 226510541 NUMXVVXBEMXQJA-UHFFFAOYSA-N 270.307 3.649 30 20 CHED C=C[C@@H](C)NCc1cc(Br)c(Cl)s1 227853204 KKQVTGIMCXTFQC-ZCFIWIBFSA-N 280.618 3.828 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(C#N)cs1 245749996 NQJUMCPYCYYTJN-UXIGCNINSA-N 260.406 3.773 30 20 CHED CC[C@H](C#N)Sc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 249085353 FFZJQEBWRBRKIU-RAIGVLPGSA-N 278.425 3.732 30 20 CHED C(CCc1ccccc1)=NNc1nc2ccccc2[nH]1 254758883 NDQGQIWPGMQPNJ-UHFFFAOYSA-N 264.332 3.593 30 20 CHED C=C1CCN(C(=O)CC[C@H](C)c2ccccc2)CC1 269756672 YDTYGBALIOCQKE-HNNXBMFYSA-N 257.377 3.749 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccc(Cl)s1)C1CC1 271439424 CKAMCPNHWNBTBI-SECBINFHSA-N 269.797 3.682 30 20 CHED N#CCCCNCc1ccc(-c2ccccc2Cl)o1 273071132 OMCHFACYJSMIGQ-UHFFFAOYSA-N 274.751 3.993 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(CSCC)on1 274593669 NWXRWXQISBLCTQ-UHFFFAOYSA-N 296.436 3.746 30 20 CHED CC(C)Oc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 274636406 QAQZRPXAHYXLDW-SQWLQELKSA-N 272.392 3.817 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)c2ccccc21 279112818 KOUZAXYIJAIMKE-IAGOWNOFSA-N 293.370 3.501 30 20 CHED C=CC[C@H](C)NCc1cnc(NC(=O)OC(C)(C)C)s1 281871624 CSIXSFAIOOLGIY-JTQLQIEISA-N 297.424 3.544 30 20 CHED CCCCCCCCCN(C)C(=O)c1cccc(O)n1 282488842 NBHMEPQCLRNUGQ-UHFFFAOYSA-N 278.396 3.610 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC(F)F)cc1F 282859193 VIKNHKWDNUMMAW-UHFFFAOYSA-N 285.265 3.559 30 20 CHED CC(=O)Nc1ccc(/C(C)=N/OCCCCCF)cc1 284538254 VHSSZXVBKHOVDU-LDADJPATSA-N 280.343 3.525 30 20 CHED C=CCC[C@@H](NC[C@](C)(O)c1ccccc1)c1ccco1 286023304 JUYCULGOHILRSO-AEFFLSMTSA-N 285.387 3.784 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1ccc(CC#N)cc1 291486640 LMPZLRSUVPMHRP-UHFFFAOYSA-N 273.380 3.653 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)CCCC#N)c2ccccc21 291996022 WKUSXISZXBSPHQ-HZPDHXFCSA-N 270.376 3.681 30 20 CHED N#C[C@]1(C(=O)Nc2ccc3[nH]ccc3c2)CC12CCCC2 294544350 STUNAYBYSSZHLS-KRWDZBQOSA-N 279.343 3.580 30 20 CHED CC(C)(C#N)CCCOc1ccc([N+](=O)[O-])c(F)c1F 295695484 DROCNMYQDVNNRP-UHFFFAOYSA-N 284.262 3.582 30 20 CHED C[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccc(C#N)cc1 295771414 AGXOLZNSWYLPTQ-WBMJQRKESA-N 278.355 3.602 30 20 CHED COCCC1(CNc2ccc(Cl)cc2C#N)CCC1 301683392 VZXISXJHCCKNLY-UHFFFAOYSA-N 278.783 3.830 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2F)[C@@H]2CCCC[C@@H]12 302191893 RIKMZHQOSIBQKY-OSAQELSMSA-N 258.340 3.712 30 20 CHED N#Cc1ccc(OCc2cccc(OC(F)F)c2)cc1F 303306020 DSDJUOJFHITAEF-UHFFFAOYSA-N 293.244 3.878 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(C)c1cccc(C#N)c1 308091657 SHCFQJMNEXXZQY-AWEZNQCLSA-N 258.365 3.593 30 20 CHED C=CCCCN[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 309860590 HYZUONWFUBSZMI-CABCVRRESA-N 296.455 3.626 30 20 CHED C=CCC(C)(C)CN[C@H](C)CC(=O)Nc1ccccc1 312317763 AZLKOSKZKPKHLF-CQSZACIVSA-N 274.408 3.596 30 20 CHED Cc1cc(C(C)(C)C)ccc1Oc1ccnc(C#N)n1 312354038 KIIZYUZJCKOGLI-UHFFFAOYSA-N 267.332 3.747 30 20 CHED N#CCc1cccc(NC[C@@H]2CCOc3ccccc32)c1 313476054 ICLUGVLQNSEITJ-HNNXBMFYSA-N 278.355 3.731 30 20 CHED CCCCCCCC(=O)Nc1cc(C)cc(CN)c1 322388939 POQBUJCURNTLSM-UHFFFAOYSA-N 262.397 3.753 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)[C@H](c1ccccc1)C1CC1 328981914 RXUSABRNYJSXKB-HRCADAONSA-N 268.360 3.829 30 20 CHED CCc1cc(C2CC2)nc(N=C(O)[C@@H]2CC[C@H](C)C2)n1 329677162 WMPVKWHMEKVDGM-CMPLNLGQSA-N 273.380 3.941 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CC23CCCCC3)cc1 330017893 RXNGZFPCSNEDGZ-MRXNPFEDSA-N 296.414 3.940 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)[C@@H]1C 331203486 RJNTYVNHDFIDKU-AHCXZYCDSA-N 298.430 3.700 30 20 CHED Cc1ccsc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 335487026 KMXGONGTEHBBGK-MRXNPFEDSA-N 298.411 3.502 30 20 CHED CC[C@@H](C#N)NC(=O)c1sc2ccc(C)cc2c1C 335908568 NPODXRKBNYBQCT-NSHDSACASA-N 272.373 3.550 30 20 CHED N#CCc1ccc(C(=O)N2CCCC23CCCCC3)cc1 336385058 MNWGXNLRJDHXDP-UHFFFAOYSA-N 282.387 3.692 30 20 CHED N#Cc1ccc(NC(=O)NCC2CCC(F)(F)CC2)cc1 337171763 LRFBTPCHUOQYRH-UHFFFAOYSA-N 293.317 3.505 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccccc3F)C2)cc1 337512489 GFXQNJFDNNIIJA-MRXNPFEDSA-N 280.346 3.687 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)C[C@@H](C)CC 338785998 DFECWSQAZKTKQZ-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2cccc(C#N)c2)C1 339099756 YUVXLFXVGOQJJK-OCCSQVGLSA-N 271.364 3.506 30 20 CHED Cc1cccc(CCNc2ncc(C#N)cc2Cl)c1 339133530 XQYKIEXLAJLWDG-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CC(C)C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 341869443 AJTAZFPLVKWDCW-DYVFJYSZSA-N 256.393 3.960 30 20 CHED CC(C)(C#N)CCSCCc1ccc2c(c1)OCCO2 342019040 LGEXGPBANRYIBC-UHFFFAOYSA-N 291.416 3.673 30 20 CHED N#CCc1ccc(C[S@@](=O)c2cccc(Cl)c2)cc1 342167747 PBYVUISZLJODNB-LJQANCHMSA-N 289.787 3.714 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C12CCC(CC1)C2 342381277 ULSUVWYNTXFENB-UHFFFAOYSA-N 287.378 3.921 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@H]2CCC[C@@H]21 342866614 GINTZGFRPDGEAA-CVEARBPZSA-N 279.424 3.541 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 343019880 FUBIFOUUZTZHJN-KKUMJFAQSA-N 276.424 3.601 30 20 CHED N#CCc1ccc(CN2CCC(C(F)(F)F)CC2)cc1 343560726 VTPLHQAGAJBNBG-UHFFFAOYSA-N 282.309 3.527 30 20 CHED Cc1nc(NCCCC#N)c2c3c(sc2n1)CCCC3 343600375 KCJWOZCFUXVZCE-UHFFFAOYSA-N 286.404 3.594 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1C[C@]1(C)CC 343668244 HSLWNKKUINUZID-DYVFJYSZSA-N 285.391 3.755 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc3ccoc3c2)cc1 343969889 XJYJHLXMLVWYJV-UHFFFAOYSA-N 262.268 3.557 30 20 CHED COc1cc(C)ccc1OCc1cn2ccccc2c1C#N 344714125 MVHHCKCVCPIDPZ-UHFFFAOYSA-N 292.338 3.707 30 20 CHED Cc1cc(C(=O)NCC(C)(C)CCC#N)cc(C)c1F 345947955 GJTDAUMVEGIPTO-UHFFFAOYSA-N 276.355 3.502 30 20 CHED Cc1cc([C@@H](C)NCCCOc2cccc(C#N)c2)c(C)o1 348091911 MZRCXPRGSJGHJX-CQSZACIVSA-N 298.386 3.888 30 20 CHED C=CCCCCNC(=O)CCC(=O)c1ccc2c(c1)CCC2 351578531 CIZJTAGNDKTCBX-UHFFFAOYSA-N 299.414 3.611 30 20 CHED C/C=C\c1ccc(NC(=O)NCC2(CC#N)CC2)cc1 353269930 CSYMMDTUOCFKGL-IHWYPQMZSA-N 269.348 3.535 30 20 CHED C=CCOCC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 353983293 MCJFRJGFMGJNJW-OAHLLOKOSA-N 287.403 3.579 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1CCC(F)(F)C1 358929646 HWKYCUNEPJAGTQ-LLVKDONJSA-N 285.359 3.698 30 20 CHED C=CCCCC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 359080372 QDKCEASGXRJWEH-NVXWUHKLSA-N 291.366 3.518 30 20 CHED Cc1nc(N2CCC[C@H]2c2cccnc2)c(Cl)cc1C#N 359843978 RMLNLCURAKVEGV-HNNXBMFYSA-N 298.777 3.652 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 361451809 JMNXILQRGOMMRU-KURKYZTESA-N 294.398 3.641 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C)c1ccccn1 362402263 KOPRLOLJTWYQAV-CYBMUJFWSA-N 298.411 3.851 30 20 CHED C#Cc1ccc(CN[C@H](c2ccccc2)c2cccnc2)cc1 367295247 PGCVMHHGMIUQNY-OAQYLSRUSA-N 298.389 3.942 30 20 CHED C=CCCCCCCNCc1cc(C(=O)O)c(C)o1 389199762 RECMTBVLIPNRFB-UHFFFAOYSA-N 265.353 3.512 30 20 CHED C#CCCCCN[C@H]1CCc2sc(Br)cc21 390470749 BUIJWMRZDFYCGP-NSHDSACASA-N 298.249 3.891 30 20 CHED Cc1ccc(F)c(OCc2ccc(CC#N)cc2)c1 399000995 CBXSJEZUZVGZOR-UHFFFAOYSA-N 255.292 3.779 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1c(F)cccc1F 404591722 SHUGMGFKBTTYAC-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=C1CCN(C(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 409658241 SGWHMMQOMQUGRY-LBPRGKRZSA-N 297.320 3.988 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cnc2ccccc2c1 410560964 VPDUKTLDCCOODL-UHFFFAOYSA-N 295.386 3.827 30 20 CHED C=CCN(CC=C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C 411165070 NXUKQFHEEZCVFE-CYBMUJFWSA-N 292.810 3.649 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 416282124 BRCQZVJFCNZYKP-GJZGRUSLSA-N 288.435 3.961 30 20 CHED COC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CCCC1 417355668 BAULTBICIGKLCG-RTBURBONSA-N 298.430 3.730 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(F)cn1 419012619 FRMNAJXCLPWMKF-HNNXBMFYSA-N 267.307 3.582 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 424838326 QBQFKPNPDJQFST-UONOGXRCSA-N 277.795 3.914 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H](C)C1CCCCC1 425612823 RIJLIIOOIISMFS-ORIJERBGSA-N 291.439 3.583 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 425634071 VOHUNJFYOYQAGV-CBBWQLFWSA-N 291.439 3.535 30 20 CHED C=CCN(CCC#N)Cc1cccc(C(F)F)c1 428840784 NCUNVYHVPFIHFE-UHFFFAOYSA-N 250.292 3.526 30 20 CHED C=CCOCC(=O)Nc1cc(C)ccc1Oc1ccccc1 440619742 YBKWZNHGJPENST-UHFFFAOYSA-N 297.354 3.928 30 20 CHED N#Cc1csc(-c2nc(-c3c[nH]c4ccccc34)no2)c1 445444042 IJFULULHGUMPPJ-UHFFFAOYSA-N 292.323 3.818 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 448945495 IPUYMTCVGWBXKJ-ZHALLVOQSA-N 298.430 3.700 30 20 CHED C=C(C)CCN[C@@H](C)CC(=O)Nc1cccc(C)c1C 449477835 QBBAHFJCDWQOKE-AWEZNQCLSA-N 274.408 3.576 30 20 CHED N#Cc1ccc(CNC[C@@H]2C[C@@H]2c2ccccc2)cc1F 449732846 DNUMAWXBLCLRDC-DLBZAZTESA-N 280.346 3.591 30 20 CHED C=CCC1(C(=O)NCc2ccccc2N(C)C)CCCC1 449820510 MOLWSPFDECEASS-UHFFFAOYSA-N 286.419 3.505 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@H]1C)c1cccc(Cl)c1Cl 449891870 MHOJVCPMHNKFQJ-TVLCNXBWSA-N 297.185 3.720 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)NCc1cc(C#N)ccc1F 449967053 JPCBKZHGXXGNGX-UKRRQHHQSA-N 288.366 3.530 30 20 CHED Cc1cc(C)cc(C2(c3noc(C4(C#N)CCC4)n3)CC2)c1 453304003 FJLXUFAWVNQEEG-UHFFFAOYSA-N 293.370 3.712 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@H](C)Sc2sccc21 453349479 LLKOVSQEFCLEOL-ASEORRQLSA-N 295.473 3.997 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccccc1OCCOC 453586240 RMCZEBBUVZRDCQ-UONOGXRCSA-N 263.381 3.724 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)C1CCCC1 454347654 SXUZRJHWDDGAPC-MRXNPFEDSA-N 285.391 3.843 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 455307799 IZBOTEWAWSVBIE-WBVHZDCISA-N 286.419 3.615 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@H]1c1cccc(F)c1 455364063 ISIXSJFXGKQBGJ-HNNXBMFYSA-N 290.382 3.884 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1ccc(F)cc1 455374933 YGFKBFSXRVZJJI-GFCCVEGCSA-N 278.371 3.740 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(CSCC)cc1 455857409 JWPFSZUFMVWSCV-NSHDSACASA-N 264.394 3.636 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](CC(C)(C)C)C1 457075250 JCUANMCKTSQQKS-CZUORRHYSA-N 251.414 3.873 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 457235090 LWIFGBRQFGWLNI-GOEBONIOSA-N 290.794 3.766 30 20 CHED COc1cc(CNCC(C)(C)CC#N)ccc1OC(C)C 459687523 GTHOTKXDYOESJO-UHFFFAOYSA-N 290.407 3.512 30 20 CHED CC[C@H](CC(F)(F)F)NC(=O)[C@@H](C)c1cccc(C#N)c1 462482313 FUOQONMJQJNWFM-GXFFZTMASA-N 298.308 3.509 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(Cl)ccc1F 466389427 QPIIHRJOXBIEGJ-JTQLQIEISA-N 270.735 3.955 30 20 CHED C=CCCCNC(=O)[C@H](CC1CCCC1)C(C)C 468402101 NYYRHTXZEIDMDX-OAHLLOKOSA-N 251.414 3.921 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1F 469775177 KESMTBJBQQEINR-HUUCEWRRSA-N 292.423 3.851 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)C(C)C)CCCC1(C)C 470303823 RYGUMJGAKVZVAV-KGLIPLIRSA-N 251.414 3.872 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1Cl 472134534 LLOZXYRKJGPYBN-UHFFFAOYSA-N 252.745 3.818 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OC(F)F)cc2)CC1 474078762 GREBTKGJEJCGFB-UHFFFAOYSA-N 281.302 3.973 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3cc(C)ccc32)CCC1 479663400 JZSYWZDOHPEAIG-MRXNPFEDSA-N 269.388 3.845 30 20 CHED N#CCCCOc1cccc(NC/C=C/c2ccncc2)c1 486983162 CWNUOFSYVLHPNY-SNAWJCMRSA-N 293.370 3.889 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)cc1Cl 487656938 WLPOSUVNJZSHCJ-LLVKDONJSA-N 274.751 3.897 30 20 CHED C=CCN(C)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 488477304 NLTJWVQEAFTZBB-AWEZNQCLSA-N 286.419 3.669 30 20 CHED CC(C)[C@H]1N(c2nccc(C#N)c2Cl)CC12CCC2 488497176 FPGBVUBCUFKXFT-CYBMUJFWSA-N 275.783 3.622 30 20 CHED C=CCCCS(=O)(=O)N1C[C@@H](C(C)C)c2ccccc21 489823278 UYBXDJCHYJUHDA-HNNXBMFYSA-N 293.432 3.542 30 20 CHED C=CC[C@@H](C(=O)N(CC)CCC1CC1)c1ccccc1 490259968 ZLQJJEPHVQKMTA-QGZVFWFLSA-N 271.404 3.995 30 20 CHED C#C[C@H](NCc1cccc(O)c1)c1ccc(Cl)cc1F 491803230 IUWRHODNJRBGNY-INIZCTEOSA-N 289.737 3.649 30 20 CHED C=CCN(Cc1ccccc1F)C[C@@H]1CCSC1 495151687 RBXILFGQJMVEME-ZDUSSCGKSA-N 265.397 3.567 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(F)c1Cl 495338201 PRWUKDRAASJTAA-VIFPVBQESA-N 270.735 3.955 30 20 CHED CC#CCCNC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 502105349 NFGKGDMKDJJKTR-LJQANCHMSA-N 298.430 3.553 30 20 CHED COc1cc(C#N)ccc1COc1ccc2[nH]ccc2c1 505772969 WLIPXSBPONHYDT-UHFFFAOYSA-N 278.311 3.627 30 20 CHED C=CCOc1ccc(CN(CC)CC(=C)C)cc1OC 505876308 ICXZWMCWBPSNQL-UHFFFAOYSA-N 275.392 3.658 30 20 CHED C[C@@]1(NC(=O)c2sccc2C#N)CCCc2ccccc21 506121588 VJVDUFVRRUMDMN-QGZVFWFLSA-N 296.395 3.601 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)c1ncc(C#N)cc1Cl 513650252 LDGQFWFSNHEUDI-SNVBAGLBSA-N 289.741 3.943 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@H]1CCCC(F)(F)C1 513970430 PXMLBKMEXHYKAU-HNNXBMFYSA-N 278.346 3.816 30 20 CHED CC#CCN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 525119545 NENRYJHBCJPYAF-NSHDSACASA-N 255.283 3.722 30 20 CHED N#CCSCCCSc1c(F)cc(F)cc1F 525308392 RSCZOGTVQTWSRY-UHFFFAOYSA-N 277.336 3.843 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C)C[C@H]1C)c1ccccc1 534669247 ZXIRMZYSLYYMFT-RRFJBIMHSA-N 257.377 3.603 30 20 CHED CCC(CC)[C@H](C)C(=O)N(C)c1ccccc1C#N 534890983 CDGHWSYXTODUAS-LBPRGKRZSA-N 258.365 3.593 30 20 CHED CCc1ccc(NC(=O)c2ccc(C#N)c(C)n2)cc1CC 537147705 DDKFHKQUACMEJG-UHFFFAOYSA-N 293.370 3.639 30 20 CHED C=CCCOCCCCC(=O)NC(C)(C)c1ccccc1 537195948 IAJICXTVDSIUPZ-UHFFFAOYSA-N 289.419 3.801 30 20 CHED C=CCN(Cc1cn2cc(Cl)cc(Cl)c2n1)C1CC1 537853743 YMZOMIXAAAGUKZ-UHFFFAOYSA-N 296.201 3.792 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](CCC)C1 539390680 VKTYHFZBSQZENF-GJZGRUSLSA-N 266.429 3.953 30 20 CHED CC(C)CCc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 539809938 ZWZBJZIMHVFNQN-UHFFFAOYSA-N 281.359 3.727 30 20 CHED Cc1ccccc1[C@H](NCC#N)[C@H]1CCC[C@H](C)C1 540360563 ZLAKNTIPCHBRTL-JLJPHGGASA-N 256.393 3.976 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H](C)c1ccccc1 542536490 HMABKAFMZBNDPL-CABCVRRESA-N 274.408 3.834 30 20 CHED C=CCC[C@@H](CCC)N[C@H](c1nccn1C)C1CC1 552087575 LDAUWMMBTVCWRL-CABCVRRESA-N 261.413 3.596 30 20 CHED CC(C)(C#N)CCN1CC[C@@](F)(c2ccccc2F)C1 555078669 RCPWXBUZCZVDSI-INIZCTEOSA-N 278.346 3.636 30 20 CHED C=CC[C@@H](C)N[C@H]1CCc2cccc(Br)c2C1 555552732 SITWVRSEPXUWFL-YPMHNXCESA-N 294.236 3.861 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(Oc2ccccc2)cn1 558651331 LADYKHKSFGJQNC-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED C=CCC(C)(C)C(=O)N1CCCC[C@@H](SCC)C1 559755581 LGQZQMKHGVVZMS-CYBMUJFWSA-N 269.454 3.723 30 20 CHED C=CCC[C@@H](CC)N[C@H](CN(C)C)c1ccc(OC)cc1 560257798 CZVYROAIVBWZPP-SJLPKXTDSA-N 290.451 3.632 30 20 CHED C=CCn1c(CC2CCCC2)nnc1N1CCCC1(C)C 561397279 DBIADZOJFXNEAC-UHFFFAOYSA-N 288.439 3.576 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 561568872 LBYMZRJQQSGOLS-HPBDAGMYSA-N 298.430 3.929 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCC[C@H](F)C1 565002584 FCPHIHUUAHWWJQ-STQMWFEESA-N 293.407 3.975 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C(=O)O)c1ccsc1 565104789 PLDAIYYZTNRIJE-HNNXBMFYSA-N 293.432 3.942 30 20 CHED C=CCCCCCNC(=O)Nc1c(F)cccc1OC 565782351 FUOZCEMLXBTRFQ-UHFFFAOYSA-N 280.343 3.702 30 20 CHED C[C@@H](NC(=O)NCC1(C)CCCCC1)c1ccc(C#N)cc1 566705821 FBZBUUAGQQPREK-CQSZACIVSA-N 299.418 3.889 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(F)c2ccccc12 566981146 YBYHBPOYJIQDDG-GFCCVEGCSA-N 268.335 3.933 30 20 CHED CC(C)(NC(=O)C1(C#N)CCC1)c1cccc(Cl)c1F 567626164 FBVJVKMCAFPCOX-UHFFFAOYSA-N 294.757 3.524 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 570990787 NWHVCVJRZLCHNF-UHFFFAOYSA-N 291.282 3.638 30 20 CHED Cc1ccc(C[C@@H](C#N)SCC(=O)C(C)(C)C)cc1 572362600 TYTZXORXILBVAT-AWEZNQCLSA-N 275.417 3.778 30 20 CHED C=C(C)CN1CCC(N[C@H](CCC(C)C)C2CC2)CC1 574458971 FHMUJJSNWYQWKF-GOSISDBHSA-N 278.484 3.831 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@@H](C)CCC)cc1 574778607 ROWHNGYTLULDGN-AWEZNQCLSA-N 275.392 3.694 30 20 CHED COc1ccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 576674937 ZODOHERLIHWERS-ORAYPTAESA-N 292.382 3.905 30 20 CHED N#CCC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 580363566 DTHQWVOUHLHHLC-OWOJBTEDSA-N 276.330 3.604 30 20 CHED Cc1cccc([C@H](Nc2ccnc(C#N)n2)C(C)(C)C)c1 582191847 ORKDECDFMXPXTA-INIZCTEOSA-N 280.375 3.856 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H]2CCCSC2)c1C#N 582215162 XBBUVSQISVLNJO-SNVBAGLBSA-N 294.445 3.572 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N(C)CC(C)(C)C#N 584723496 QCCFJQSSBIIOAU-AWEZNQCLSA-N 264.413 3.767 30 20 CHED N#CCCCCCC(=O)N(Cc1ccc(F)cc1)C1CC1 588266650 MJDXHKNVPBPDQI-UHFFFAOYSA-N 288.366 3.791 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(F)c(C)c2)cc1 588419493 PICPXFXEOSWVND-WMZJFQQLSA-N 297.329 3.989 30 20 CHED Cc1cncc(C(=O)/C=C\c2cc(F)ccc2F)c1 588476469 NYPPIBITCARJPD-DJWKRKHSSA-N 259.255 3.564 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H](C)C2CCCC2)cc1 589078420 JNGCZVZSEUORKV-DYVFJYSZSA-N 284.403 3.756 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)NC2CC=CC2)cc1C#N 590845708 RNUVTHJQJOUXJZ-UHFFFAOYSA-N 299.374 3.576 30 20 CHED COc1ccc(C[C@@H]2CCCCN2CCCCC#N)cc1 593080082 DSNLZFQHAVHISK-KRWDZBQOSA-N 286.419 3.786 30 20 CHED C[C@H](C(=O)NCC(C)(C)CCC#N)c1ccc(Cl)cc1 593160078 VSGXNGQAFMFAAD-LBPRGKRZSA-N 292.810 3.890 30 20 CHED CC[C@H](C(=O)N(C)[C@H](C#N)CC)C1CCC(C)CC1 594086256 QWULWDAVILKHJC-WUCCLRPBSA-N 264.413 3.599 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc(C)c(Cl)c1Cl 594091038 JFKABOSLUIUHFR-SECBINFHSA-N 285.174 3.676 30 20 CHED N#CCCCOc1cccc(N[C@H]2CCCn3nccc32)c1 595029592 ZXUBQNNAZPNXHE-INIZCTEOSA-N 296.374 3.513 30 20 CHED N#Cc1ccc(CCN2CCC(OC3CCCC3)CC2)cc1 595297665 IRWDGWOPOOVWNB-UHFFFAOYSA-N 298.430 3.524 30 20 CHED CCS[C@@H]1CC[C@H](N(C)CCc2ccc(C#N)cc2)C1 595329677 AJCJEUWPBZOIDO-DLBZAZTESA-N 288.460 3.707 30 20 CHED Cc1cnc([C@@H](NCCc2ccc(C#N)cc2)C2CC2)s1 595430389 JWJSTUUUDBNNSO-INIZCTEOSA-N 297.427 3.607 30 20 CHED C=CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C 595766008 PZQGIJFGKOMOQS-UHFFFAOYSA-N 296.342 3.529 30 20 CHED C=CCCSCCNC(=O)N(C)[C@@H]1CCC(C)(C)C1 596715690 KSGJMVSTHJMUND-CYBMUJFWSA-N 284.469 3.516 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC(C)(C)CC(C)(C)C1 598189325 YHLKFRUEAUQAPQ-INIZCTEOSA-N 264.413 3.601 30 20 CHED CCCC1CCC(N(C)C[C@@H](O)CC(C)(C)C#N)CC1 598616297 NUBWIMQIFCTYKR-GPANFISMSA-N 280.456 3.578 30 20 CHED C[C@H](CSC[C@H](O)CC(C)(C)C#N)c1ccccc1 598700586 CTBSPULUUWERMK-UKRRQHHQSA-N 277.433 3.824 30 20 CHED CN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccccc1C#N 598817796 BSHYOFHHAYFRAW-HUUCEWRRSA-N 282.387 3.737 30 20 CHED N#Cc1c[nH]ccc1=N[C@@H]1CCCc2ccc(Cl)cc21 599203890 XGUGAMZKVPSSPG-MRXNPFEDSA-N 283.762 3.518 30 20 CHED N#CCCN[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 600758828 WUXCDDJOEZUUIG-CQSZACIVSA-N 273.767 3.702 30 20 CHED N#Cc1ccc(NC(=O)C2CCC=CCC2)c(Cl)c1 602286504 CWWBUJLDYSENIC-UHFFFAOYSA-N 274.751 3.897 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1cccc(OC(F)F)c1 602514501 KGAWDHVZFDOSLX-NWDGAFQWSA-N 282.334 3.878 30 20 CHED Cc1ccc(NCc2cccc(C#N)n2)cc1OC(C)C 602638678 FJORKHFRUINYNI-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC1=Nc2ccccc2C12CCN([C@H]1CC[C@H](C#N)C1)CC2 602867198 YPTHHWWTJSERON-HOTGVXAUSA-N 293.414 3.818 30 20 CHED COCc1cc(C#N)ccc1N[C@@H]1CCC[C@@H](SC)C1 603290489 AOBMMZDDRNZYBK-HUUCEWRRSA-N 290.432 3.791 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 603847449 WBYCAHAVIGDZKH-FHLIZLRMSA-N 268.404 3.959 30 20 CHED C[C@H](CC#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 604573457 WVKRGGDLOQYOMV-RKDXNWHRSA-N 285.174 3.515 30 20 CHED C=CCCCCCN(C)C(=O)CSc1ccccc1 606816813 NHSSHEPZUSTYIK-UHFFFAOYSA-N 277.433 3.984 30 20 CHED CC(C)n1cc([C@H](C)Nc2ccc(C#N)cc2F)cn1 609585959 FTTPCILEXWWNDI-NSHDSACASA-N 272.327 3.648 30 20 CHED N#Cc1ccc(N2CCC(C3CCCC3)CC2)cc1 610281910 YBOSXDLKGGKNOD-UHFFFAOYSA-N 254.377 3.965 30 20 CHED C[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 610359911 PRBHDYQYKDOHHS-IJEWVQPXSA-N 284.403 3.952 30 20 CHED C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1cccc(C#N)c1 610360579 ZXGQTVKSCXHCKD-CQSZACIVSA-N 292.382 3.713 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 611072880 NQDFCCZHAWDDHK-KKUMJFAQSA-N 264.413 3.503 30 20 CHED C[C@H](NC(=O)C[C@H]1CCC[C@H]1C)c1cccc(C#N)c1 613580116 IWMQZCRSBNELNA-VNHYZAJKSA-N 270.376 3.562 30 20 CHED C=CCC1(C(=O)NCC(C)(C)C(O)(CC)CC)CCCC1 617513259 KCEBLSHHUHPUNG-UHFFFAOYSA-N 295.467 3.816 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)c(C)s2)C1 617787156 IIJFKARVPAETFW-CYBMUJFWSA-N 263.406 3.793 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccco2)C1 628062363 DHIRSLIHSCANCH-ZIAGYGMSSA-N 261.365 3.588 30 20 CHED C=CCC1(c2nc(-c3csc(C)n3)no2)CCCC1 643124352 UNDGAPYOJZSIPQ-UHFFFAOYSA-N 275.377 3.889 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](OCC)C2)CCCCC1 648191967 VNDVCBASNTUWAW-HNNXBMFYSA-N 279.424 3.541 30 20 CHED C=CCC1(CNCc2cnc3ccccn23)CCCC1 648788312 LXNYGYKKYQNTDF-UHFFFAOYSA-N 269.392 3.560 30 20 CHED C=CCC[C@@H](NCc1c(C2CC2)cnn1C)c1ccco1 658215043 ZUCOCWXZYSOOPR-OAHLLOKOSA-N 285.391 3.688 30 20 CHED C=CCCNC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 664324202 UKWJVCXYUAOWKC-UHFFFAOYSA-N 285.347 3.656 30 20 CHED C=C(CNC(=O)N[C@@H](C)c1ccsc1)c1ccccc1 673060979 ABKHFRUZAPUNBL-ZDUSSCGKSA-N 286.400 3.822 30 20 CHED C=C[C@@H](C)NC(=O)Cc1coc2ccc3ccccc3c12 674952046 QJDSFASXDWSIBB-GFCCVEGCSA-N 279.339 3.819 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(OCC=C)cc1 678896187 ZSMXXEKFZSDILD-CQSZACIVSA-N 273.376 3.726 30 20 CHED CCC#C[C@@H](C)N[C@H](C)c1nc(C2CCCCC2)no1 680426386 KNHAXISKPQZMEG-CHWSQXEVSA-N 275.396 3.570 30 20 CHED C=CC[C@H]1N(Cc2cn(C)nc2CC)CCCC1(C)C 683724058 TVFZONNNQQLEDQ-MRXNPFEDSA-N 275.440 3.549 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ccc2cc(OC)ccc2n1 684765304 ZXAJSOSDVKUZON-KBXCAEBGSA-N 298.386 3.637 30 20 CHED C=C(Cl)CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 717976902 XWTJJYANSVYSPO-CABCVRRESA-N 279.811 3.712 30 20 CHED CCCCCCCNCc1nc2c(s1)CCC2 719573400 BWGYRJDTQGYQLY-UHFFFAOYSA-N 252.427 3.692 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(C#N)cc2)c2ccccc21 726740565 KATMZVOBANQRDQ-ZHACJKMWSA-N 286.334 3.946 30 20 CHED C#Cc1ccc(C(=O)OCc2cccc3ccccc23)cn1 729029995 ALMQBNCNQQMBHT-UHFFFAOYSA-N 287.318 3.573 30 20 CHED CC(=NNCCCc1ccccc1)c1cccc(C#N)c1 729146250 QEOIAUBLSQRVGT-UHFFFAOYSA-N 277.371 3.505 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)CC2 730146971 IYGCHKQNVBNJRL-HKJBKDEOSA-N 296.326 3.715 30 20 CHED COCC(CC(C)C)=NNc1ccc(Cl)cc1 730722496 RCXYWFSRWPOMSM-UHFFFAOYSA-N 254.761 3.800 30 20 CHED CCCCCCCCCNC(=O)N1CCOC[C@H]1CC 734655104 IKNQXPXTHKZFDE-OAHLLOKOSA-N 284.444 3.557 30 20 CHED C=CCCCN1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 735490428 KCIOIMVHYJDMMP-HUUCEWRRSA-N 296.455 3.720 30 20 CHED CSc1ccc(OCCN(CCC#N)CC(C)C)cc1 743851176 MVLMSYXKXPETTQ-UHFFFAOYSA-N 292.448 3.659 30 20 CHED C=C(C)COC(=O)CCc1c[nH]c2c(C)cccc12 744040950 WHDDCEBXDBFBDB-UHFFFAOYSA-N 257.333 3.528 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1ccc(F)cc1F 744071937 XPPMSCJIXLKCOH-NSHDSACASA-N 284.302 3.552 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 744178433 AXORVWSSHBLUHY-GFCCVEGCSA-N 281.355 3.615 30 20 CHED CC(C)(C)c1ccc(-c2ccc(C(=O)OCC#N)o2)cc1 745598194 VELLQSRRGPCNGG-UHFFFAOYSA-N 283.327 3.924 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1c[nH]c2cc(F)ccc12 749454121 WINOBXGVVGXMKR-AATRIKPKSA-N 283.306 3.543 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C(C(C)C)C2CC2)c1 750936745 XSCKYDYAZKWTMR-UHFFFAOYSA-N 293.411 3.843 30 20 CHED Cn1cccc1C=NNc1cc(Cl)ccc1Cl 751895739 RUZWDIPKYGMFHS-UHFFFAOYSA-N 268.147 3.778 30 20 CHED c1ccc(CCc2nc(CON=C3CCC3)cs2)cc1 753177405 GSEIQHADKFGRCX-UHFFFAOYSA-N 286.400 3.985 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)O)cc1)CC2 753900243 LFLAQHPEHQIFQD-LFIBNONCSA-N 292.334 3.906 30 20 CHED CCc1ccc(C=NNc2ccc(C(F)(F)F)nn2)cc1 754710224 CKQFPAOZBQGVDW-UHFFFAOYSA-N 294.280 3.504 30 20 CHED N#Cc1ccc(NN=Cc2coc(-c3ccccc3)n2)cc1 755650566 BBJNMIYCCCMHGI-UHFFFAOYSA-N 288.310 3.659 30 20 CHED Cc1cc(C=NO[C@H]2CCCCO2)c(OC(F)F)cc1C 755813389 FRKZSIUWFQMWQT-AWEZNQCLSA-N 299.317 3.782 30 20 CHED CC(=NNc1ccccc1Br)c1ccoc1 755892192 DMKKLHWLJDWCTP-UHFFFAOYSA-N 279.137 3.878 30 20 CHED N#Cc1cc(COC(=O)CCCc2ccccc2)ccc1F 758933784 URHGAXVYQHFTPL-UHFFFAOYSA-N 297.329 3.763 30 20 CHED C=CCCC(CC)=NNc1cc(F)cc(OC)c1 759212821 OZYGSLPHKJCUES-UHFFFAOYSA-N 250.317 3.978 30 20 CHED CC(=NNc1cc(C)ccc1F)c1cc(F)ccc1O 759664338 KJRKVPRQJVFXKN-UHFFFAOYSA-N 276.286 3.815 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cncc2ccccc12 759861130 DCWAEZSVKNHMAL-KTKRTIGZSA-N 299.333 3.758 30 20 CHED CCSCCS[C@@H](C#N)Cc1ccccc1 760512951 JJEBURMVPDMIHK-CYBMUJFWSA-N 251.420 3.608 30 20 CHED C#CCCCCc1nc(-c2ccccc2CC)no1 761563290 PVYUNLMKJXIQPP-UHFFFAOYSA-N 254.333 3.645 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)C1CC1 764694760 GESTWCMLWJWGIX-QGZVFWFLSA-N 296.414 3.606 30 20 CHED C=CCCCOC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 765530568 YFUBQXWGDAIPSP-CQSZACIVSA-N 291.347 3.673 30 20 CHED C=CC[C@H](NC(=O)/C=C/C(=C\C)CC)c1ccncc1 765551300 GWVGVYWHPDXSCE-MWRIIXEISA-N 270.376 3.728 30 20 CHED C=CC[C@H](N[C@H](C)c1ccc(C)o1)c1ccncc1 766020926 REFZYUATJROISQ-HIFRSBDPSA-N 256.349 3.951 30 20 CHED FC(F)(F)C1CCC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)CC1 766027721 XJMDALTWXGPUHZ-UBVACOSXSA-N 274.330 3.873 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#N)c(C)c1)C2 766490457 JQALXXCTLVNABK-LZYBPNLTSA-N 289.334 3.698 30 20 CHED C#CCNc1ccc(NC(=O)c2cccc(Cl)c2)cc1C 767621949 MZZGWGMVULABPC-UHFFFAOYSA-N 298.773 3.946 30 20 CHED Fc1cccc(NN=Cc2cc(F)c(F)cc2F)c1 767780647 UTLUIZSJEXAVJB-UHFFFAOYSA-N 268.213 3.689 30 20 CHED CCCCCn1cc(C/N=C/c2ccccc2O)c(C)n1 767878650 OZTNGZCQTWHBBD-WOJGMQOQSA-N 285.391 3.706 30 20 CHED CCCCC[C@@H](C)CC(=O)OCC1(C#N)CCC1 768079675 YYMIMPOUTARVKA-CYBMUJFWSA-N 251.370 3.830 30 20 CHED CCCCCC(C)(C)C(=O)N[C@H](C#N)CC(C)C 768139375 DRCUMGNIBPKJDV-ZDUSSCGKSA-N 252.402 3.647 30 20 CHED C#CC[C@@H](Nc1ccc(OC(F)F)cn1)c1ccccc1 769913440 QIZUCBFMWRGSNX-CQSZACIVSA-N 288.297 3.860 30 20 CHED C#CCCCNC(C)(C)c1cccc(Cl)c1F 770686819 ILDZEOALZYGMGI-UHFFFAOYSA-N 253.748 3.717 30 20 CHED CC(=NNCc1ccccc1Cl)c1cnccc1C 771564560 XAZRZUJGFGFJPB-UHFFFAOYSA-N 273.767 3.557 30 20 CHED COc1ccc(C#N)cc1COC(=O)C(C)=C1CCCC1 772280785 SOGRCYUEEPJVLZ-UHFFFAOYSA-N 285.343 3.501 30 20 CHED C/C=C(/C=C/C(=O)OCc1cc(C#N)ccc1OC)CC 772283152 HWYJAANGPMJKML-CKLXFCMWSA-N 285.343 3.523 30 20 CHED CC[C@@H](Cc1cccs1)NCc1cc(C#N)ccc1F 773030493 QWNHHHUWVJYALV-AWEZNQCLSA-N 288.391 3.870 30 20 CHED C=C(CC)COC(=O)c1cnc(-c2ccccc2)nc1C 773541868 JDKMHGYZHMIEJA-UHFFFAOYSA-N 282.343 3.575 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NOC1CCOCC1 774456822 HCMKCIVYRVPJJN-UHFFFAOYSA-N 297.782 3.658 30 20 CHED COc1ccc(C(C)=NOC2CCCC2)c(F)c1 774609286 WKNRIEQLXRYJKN-UHFFFAOYSA-N 251.301 3.518 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(F)cc1 775926359 VFBSRYCIELQXOM-UONOGXRCSA-N 277.383 3.865 30 20 CHED O=C(/C=C/c1cc2cc(F)ccc2o1)c1cscn1 776192736 SQISTHIKESNYCG-NSCUHMNNSA-N 273.288 3.925 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccc(Cl)cc2)c(F)c1 777881573 QARVRADTSWAVDQ-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CCNc1ccc(C#N)cc1NCc1c(F)cccc1F 779744494 ZMJCANLLHKDYKY-UHFFFAOYSA-N 287.313 3.880 30 20 CHED CC(C)c1ccc2c(c1)C(=NN=c1cc[nH]cc1)CCCO2 779810043 YHSANZCGOWZQJE-UHFFFAOYSA-N 295.386 3.616 30 20 CHED CCc1ccc(C=NNc2ccc3[nH]ncc3c2)s1 779812885 ZQUGUZSRTYJUDM-UHFFFAOYSA-N 270.361 3.633 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C(C)=C(/C)CC 779959118 JKIHPVXGJOQBOT-QXMHVHEDSA-N 275.323 3.523 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NOCC(F)(F)F 782228777 MKHZPAYDLNIWJP-UHFFFAOYSA-N 274.217 3.528 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)CCc2cc(O)ccc21 782330020 WCIKJCUYQITRMX-XYOKQWHBSA-N 297.379 3.939 30 20 CHED C=CC[C@H](C)N[C@@H](c1ccccc1)C1CCOCC1 782773492 WEVBGCLKITXLSS-YOEHRIQHSA-N 259.393 3.709 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)NCCCC#N 784134429 MVGTXRMJFFCRAH-OAHLLOKOSA-N 252.402 3.793 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(C(C)C)c(Cl)c1 786391217 MAVBFDXYUCTYSC-LLVKDONJSA-N 265.740 3.922 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(O[C@@H](C)C#N)cc1 787308779 GEVNMIZCABDELK-GOEBONIOSA-N 270.376 3.518 30 20 CHED CC(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)=C1CCCC1 787846434 XOVZCCCERSIPKW-QGZVFWFLSA-N 280.371 3.552 30 20 CHED C#CCOc1ccc(NC(=O)C2(CC#C)CCCCC2)cc1 788210582 USOUPOVQJMYDPP-UHFFFAOYSA-N 295.382 3.611 30 20 CHED C#CCC1(C(=O)Nc2nnc(C(C)C)s2)CCCCC1 788428596 RQQQWRMPTNQLFV-UHFFFAOYSA-N 291.420 3.574 30 20 CHED CC(=NNC[C@H](C)C#N)[C@@H]1C[C@H]1c1ccc(Cl)s1 788434623 JOTDYWNDUIAXGQ-DVVUODLYSA-N 281.812 3.630 30 20 CHED CC(=NNc1ccc(F)cn1)C1CCC(F)(F)CC1 788714294 UXGJYZIAZAJYIH-UHFFFAOYSA-N 271.286 3.834 30 20 CHED C#C[C@H](CCC)NC(=O)CCC(=O)c1ccc(CCC)cc1 791213577 QFNOFGBYSAYKMS-QGZVFWFLSA-N 299.414 3.520 30 20 CHED CC(Cc1ccccc1F)=NNc1cccc(Cl)n1 793163680 MKEOXEWSHNHTJF-UHFFFAOYSA-N 277.730 3.905 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C/c2cn(C)cn2)c1 794724951 VKFWEELVVOSNHO-BQYQJAHWSA-N 268.360 3.515 30 20 CHED Fc1cccnc1NN=C1CC[C@@H]1c1ccccc1 794990236 KASFJRWJMDKGKS-GFCCVEGCSA-N 255.296 3.566 30 20 CHED CO[C@@H]1CCC[C@@H](CC(=O)O[C@H](C#N)C2CCCCC2)C1 796069248 UYJXGGAPSCOGGM-FVQBIDKESA-N 293.407 3.597 30 20 CHED C[C@@H](OC(=O)[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 796371558 RTDRSSRGBUOXKM-MFKMUULPSA-N 279.286 3.598 30 20 CHED Cc1ccc2c(c1)SCC2=NOCCC(F)(F)F 797786318 QNJUOGHJVMTJRW-UHFFFAOYSA-N 275.295 3.774 30 20 CHED C#Cc1cncc(C(=O)N(C2CCC(CC)CC2)C2CC2)c1 798244843 OGLMNTBQCROMJA-UHFFFAOYSA-N 296.414 3.636 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1C#N 799303084 AVORBMIQPNAYFP-XJKSGUPXSA-N 270.376 3.517 30 20 CHED Cc1ccc(C(=O)OCc2csc(C3CC3)n2)cc1C#N 799548325 OPPRLVFBTDJUDU-UHFFFAOYSA-N 298.367 3.558 30 20 CHED COCC[C@H]1CCCC1=NNc1c(C)cccc1F 799885937 QGLPUZFOXXZIBH-GFCCVEGCSA-N 264.344 3.739 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(-c3cnn(C)c3)s2)o1 800793990 YPVSAHOFVWXBME-XQRVVYSFSA-N 298.367 3.946 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)c1ccccc1F 801658305 ZKLMXBMQMGJEKU-QWRGUYRKSA-N 253.342 3.549 30 20 CHED CC(C)(C)SCCN1CCCC(C)(C)[C@@H]1C#N 801951889 ZMKQCIADAPAAOT-LBPRGKRZSA-N 254.443 3.532 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc2c(s1)CCC2 804834884 RPJRPPMDFKHSEZ-UHFFFAOYSA-N 295.407 3.512 30 20 CHED C=CCCCCCCNC(=O)c1cccc(CN(C)C)c1 805218982 RLDXSRFRMALVBQ-UHFFFAOYSA-N 288.435 3.615 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@H](C)[C@@H]1C 806003296 BVCNPNZQEQUHGD-KBPBESRZSA-N 252.402 3.563 30 20 CHED CCCCCCCCNC(=O)N[C@@H](C)C(F)(F)F 807022973 WUOUPMDDKPRZEQ-JTQLQIEISA-N 268.323 3.597 30 20 CHED C#CCCCc1nc(CCCOc2cccc(C)c2C)no1 809383263 XZJHQCAVVZHEAL-UHFFFAOYSA-N 298.386 3.654 30 20 CHED N#CC1(COC(=O)c2ccc(C3CCCC3)cc2)CC1 810877074 QVBQTRIKBFJIMN-UHFFFAOYSA-N 269.344 3.805 30 20 CHED Cn1cc(C=NOC/C=C\Cl)c(C2CCCCC2)n1 811671537 HBTTXSDLQGSSIO-ACGFNPAOSA-N 281.787 3.571 30 20 CHED CCCC[C@@H](C)N(C)c1snc(Cl)c1C#N 811866256 GJTJKYBZMCANBM-MRVPVSSYSA-N 257.790 3.683 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCCCCC(=O)C1 813611786 DWDAUQGRUKKRMA-HNNXBMFYSA-N 279.424 3.779 30 20 CHED C[C@@H]1CCC(=NNc2ncc(Cl)cc2Cl)C1 814740726 UYSXRGUKHQMFNU-SSDOTTSWSA-N 258.152 3.976 30 20 CHED CC(C)c1cnc(C=NNCc2ccc(F)c(F)c2)s1 814808195 YKQFGGLURWOHFJ-UHFFFAOYSA-N 295.358 3.668 30 20 CHED Cc1cc(C)c(C(=O)O)cc1C=NN[C@@H](C)c1ccccc1 814815192 PQEPOLAYHKCWRP-AWEZNQCLSA-N 296.370 3.686 30 20 CHED CCC(CC)CNN=C1CC[C@H](C(=O)O)C(C)(C)[C@H]1C 814906267 MMLRSGPBYWWRSE-WCQYABFASA-N 282.428 3.525 30 20 CHED CC[C@H](C)NN=C1CCC(c2ccc(O)cc2)CC1 814912964 DOKQPPZPBZVIGX-UEWDXFNNSA-N 260.381 3.794 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NOC/C=C\Cl)C1 814933794 ACWQXZNRDAWDSB-NAAIGRBOSA-N 287.787 3.645 30 20 CHED Cc1ccc(N(C)C(=O)c2ncc(C#N)cc2C)cc1Cl 815606501 YRRFRGPMXITRLM-UHFFFAOYSA-N 299.761 3.500 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@@H]2C[C@H]2C2CCC2)cc1 818223298 UYEXAOAUKIODAM-SKDZVZGDSA-N 284.403 3.503 30 20 CHED CCCCCCCCCNC(=O)c1ccnn1C(F)F 820925440 XQHFCBCNOSTDKD-UHFFFAOYSA-N 287.354 3.759 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1C)C(C)C 826070979 GECOZTRHBVFEBH-JKSUJKDBSA-N 257.377 3.522 30 20 CHED CC(C)C#CC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 830045829 XRGIWNUWIVLUSE-INIZCTEOSA-N 293.357 3.828 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1nc(Br)cs1 834654606 PZKXPKZEEFLJKO-HTQZYQBOSA-N 275.215 3.521 30 20 CHED CC(C)[C@H]1CCCCC1=NN[C@H](C)C(F)(F)F 835000658 LMZPTGITYBKQIO-NXEZZACHSA-N 250.308 3.729 30 20 CHED N#CCc1ccccc1CC(=O)OCCC1=CCCCC1 835719036 KNEOCYVULYFNAO-UHFFFAOYSA-N 283.371 3.729 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1cccc(OCC#N)c1 836292228 ZXKJSSVLDRRPDX-LBPRGKRZSA-N 289.379 3.535 30 20 CHED C#Cc1ccc(C(=O)N(CC(C)C)c2ccc(C)cc2)nc1 837071410 UIGHXZPNVUHDLE-UHFFFAOYSA-N 292.382 3.674 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839057899 YTMNKPHZNWQWDW-UMVBOHGHSA-N 289.350 3.630 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)CCCc2cccnc2)c1 840712085 VFYRMAZXOVUEGH-ZXOFLVKFSA-N 298.386 3.626 30 20 CHED C[C@H]1CC(C)(C)CN1Cc1ccc(O[C@H](C)C#N)cc1 840970800 WVBFADVXNGKRHO-UONOGXRCSA-N 272.392 3.598 30 20 CHED CCCCCCO[C@H](C)C(=O)Nc1ccc(F)cc1C#N 841141194 GFZZNIZQSAJHBI-GFCCVEGCSA-N 292.354 3.621 30 20 CHED CCCNN=C1CC[C@H](c2cccc(Cl)c2)C1 841618062 OWTVQMHQKDNOIU-LBPRGKRZSA-N 250.773 3.963 30 20 CHED CCC(C=NNc1cc(CO)ccc1Br)CC 841654308 RZBNXBQUWBYWRS-UHFFFAOYSA-N 299.212 3.775 30 20 CHED c1cc(CN2CCCCC2)ccc1CON=C1CCC1 842030800 HVHYGJJJUQMGCL-UHFFFAOYSA-N 272.392 3.729 30 20 CHED C#C[C@H](OC(=O)c1oc(C(C)C)nc1C)c1ccccc1 842363235 CLRMRMMBAXFAKF-AWEZNQCLSA-N 283.327 3.638 30 20 CHED CCCCC[C@@H](CC)C(=O)N(C)c1ccc(C#N)nc1 844827085 XVBSLWTWCUGODF-CYBMUJFWSA-N 273.380 3.523 30 20 CHED CCc1nc(SCC2(C#N)CCC2)sc1C 845325636 DELDKKZKYFHBGK-UHFFFAOYSA-N 252.408 3.800 30 20 CHED C=CCCC(=O)COC(=O)[C@H](C)c1ccc(Cl)cc1 845333237 AYZXAMUREQVSJE-LLVKDONJSA-N 280.751 3.522 30 20 CHED C=CCCCCOC(=O)c1ccc(C(F)F)nc1 847711726 PBIZXOLSMAFORU-UHFFFAOYSA-N 255.264 3.532 30 20 CHED C#C[C@@H](CCC)/N=C(/Nc1ccccc1)N1CCCCC1 849093273 VSBWPBXADDALPU-INIZCTEOSA-N 283.419 3.742 30 20 CHED C=CCCCCOC(=O)[C@H]1CCNc2cc(F)ccc21 849832980 UPAZUSSAXAIREP-AWEZNQCLSA-N 277.339 3.624 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1ccc(C#N)cc1OC 849845837 GPEWCRAHGFPULJ-MRXNPFEDSA-N 293.338 3.528 30 20 CHED N#CCCCCOC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 850335382 PNORFXHCMIVTSH-SJORKVTESA-N 285.387 3.882 30 20 CHED C=C[C@H](C)OC(=O)C1(C(F)(F)F)CCCCC1 850969210 OGQHCBNLJGOALE-VIFPVBQESA-N 250.260 3.617 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)O[C@H](C)CC(C)(C)C#N 851204135 KIABXXIBCXXUPW-UONOGXRCSA-N 273.376 3.737 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)O[C@H](C)CC(C)(C)C#N 851205964 NCEVQVFPEWPLOJ-NXEZZACHSA-N 279.302 3.837 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1ccsc1 851210567 WRAWDBSEYNCGEK-GHMZBOCLSA-N 265.378 3.723 30 20 CHED C[C@H]1CCCCN1N=C1CCC[C@H](c2cccnc2)C1 853381901 OIFACFZAJCTBEL-GJZGRUSLSA-N 271.408 3.970 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CC[C@@H]2CC2(Cl)Cl)C1 855436861 MOPGEYFFTHLVMH-VXGBXAGGSA-N 290.234 3.775 30 20 CHED C/C(=C/C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 857568441 VSARRCCXPPYMME-NTMALXAHSA-N 298.367 3.743 30 20 CHED CCCCCCCNC(=O)NC[C@H]1CCOC2(CCC2)C1 858113432 IITVJOODPGDACC-HNNXBMFYSA-N 296.455 3.605 30 20 CHED C#CCCOC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 858880098 JJNSSURJUDBRSE-JTQLQIEISA-N 285.265 3.516 30 20 CHED CCCSC[C@H](C)N[C@H](C)c1cccc(C#N)c1 893076440 AZUOOYKJORZMOO-QWHCGFSZSA-N 262.422 3.741 30 20 CHED COC[C@H](Sc1snc(C)c1C#N)c1ccccc1 897003086 MEVATDSVTDSJLN-ZDUSSCGKSA-N 290.413 3.803 30 20 CHED CC(C)(C)CC(=O)N(O)Cc1cccc2ccccc12 901368089 SDFYOTASBJLMDB-UHFFFAOYSA-N 271.360 3.994 30 20 CHED Cc1ccc2oc(C(=O)N(O)Cc3ccc(F)cc3)cc2c1 901374868 UXSBMRFCKSOSKY-UHFFFAOYSA-N 299.301 3.912 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 912078164 RHQRCNZOOZAFNV-RHSMWYFYSA-N 297.402 3.759 30 20 CHED C=CCN(C(=O)c1oc2ccccc2c1COC)C(C)C 914683527 RDBJOJOPEXOAHE-UHFFFAOYSA-N 287.359 3.616 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccccc1C#N 915176242 HKTBLASQSSOQEF-PFQLYRODSA-N 282.387 3.656 30 20 CHED CCCCNN=Cc1cc(C)c(OC(F)F)c(C)c1 915966283 OOOFJHKNBUYVCD-UHFFFAOYSA-N 270.323 3.628 30 20 CHED COc1cccc2cc(C=NNCc3ccccc3)oc12 916344541 KMGMSTQXCKKXSS-UHFFFAOYSA-N 280.327 3.565 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C=C1CCCC1 917647006 DEACDCRQBGYYNW-UHFFFAOYSA-N 282.387 3.796 30 20 CHED CN(C)c1ccc(C(=O)/C=C2/COc3ccc(F)cc32)cc1 918156961 YHDXHLNFURCUOW-LCYFTJDESA-N 297.329 3.550 30 20 CHED CCCCCCCCCN(C)C(=O)/C=C/c1cnn(C)c1 918668466 IQJQWMBTXYWZQZ-VAWYXSNFSA-N 291.439 3.642 30 20 CHED Cc1ccc([C@H](C)N[C@@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] 925491271 DRVORVBDQHIABE-STQMWFEESA-N 289.379 3.882 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1nccn1-c1ccccc1 926428022 NROOXDQTKOBWCA-HUUCEWRRSA-N 296.418 3.851 30 20 CHED CC[C@@H](N[C@@H](c1cnn(C)c1)C(C)C)c1ccc(C#N)cc1 927071744 UKLWWDAYMLPOQX-QZTJIDSGSA-N 296.418 3.730 30 20 CHED N#C[C@H]1CCCN(C(=O)c2ccc(C3CCCC3)cc2)C1 928215177 JEJUWGLGBISPFZ-CQSZACIVSA-N 282.387 3.720 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H](C#N)C2)c(Cl)c1Cl 928218201 YRPJFWHJLOIRJT-SNVBAGLBSA-N 297.185 3.678 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(-c2csnn2)cc1 930395175 XOUDPPVVCSRQGM-NSHDSACASA-N 287.388 3.746 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)NCC(C)(C)CCC#N 935991869 BXOSEYKFUFHFAH-CQSZACIVSA-N 272.392 3.545 30 20 CHED CCN(Cc1ccccc1)C(=O)[C@H](CC#N)c1ccccc1 1124385672 ZORCNBUMHICVPZ-GOSISDBHSA-N 292.382 3.733 30 20 CHED CCC(C#N)(CC)C(=O)N(C)C[C@@H](C)C1CCCCC1 1132258260 AGNJLPUSGWXYTJ-CQSZACIVSA-N 278.440 3.991 30 20 CHED COc1cccc([C@H](C)Sc2cccc(C#N)n2)c1 1162773637 FXXHWLZBDIQKQI-NSHDSACASA-N 270.357 3.815 30 20 CHED CC1(CNc2c(C#N)cccc2C#N)CCCCC1 1163427625 OZUZUYOZRIYCSB-UHFFFAOYSA-N 253.349 3.812 30 20 CHED N#Cc1cc(N(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)ccn1 1184973738 ZJCTWRBWCFCCMD-SOUVJXGZSA-N 281.403 3.748 30 20 CHED N#Cc1cccc2c1CCN2Cc1cnc2ccccc2c1 1195313585 CJTZZXLTSPUPRG-UHFFFAOYSA-N 285.350 3.669 30 20 CHED Cc1cc(C#N)nc(-c2ccc(Cl)cc2Cl)n1 1235964270 ZOHGAOIPYZDMEH-UHFFFAOYSA-N 264.115 3.631 30 20 CHED N#CC1(CNC(=O)c2ccc(-c3cccs3)s2)CC1 1256446416 FTIBLMNRCKYPOL-UHFFFAOYSA-N 288.397 3.510 30 20 CHED N#Cc1c(F)cc(C(=O)Nc2cccc3[nH]ccc23)cc1F 1292664829 KVJRUOMBJHZYGZ-UHFFFAOYSA-N 297.264 3.570 30 20 CHED Cc1ccc(Sc2ncc(C#N)cc2F)cc1C 1306911479 TUIMTCOUMLDJIS-UHFFFAOYSA-N 258.321 3.860 30 20 CHED C=CCN(CCc1ccco1)Cc1cccn1C1CC1 1324367936 BNJDHCQYWUZHQQ-UHFFFAOYSA-N 270.376 3.647 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cccc(CC#N)n2)C1(CC)CC 1325710964 ZIRFMGNTKKHYQN-HUUCEWRRSA-N 287.407 3.543 30 20 CHED CC[C@@H](CC(=O)OCc1ccc(C#N)cn1)c1ccccc1 1326395865 CUXSGVWGXKJQCB-HNNXBMFYSA-N 294.354 3.580 30 20 CHED CN(c1ccccc1)c1ccc(C=NOC(C)(C)C)cn1 1326942720 BVUHSDMDQPVHPL-UHFFFAOYSA-N 283.375 3.999 30 20 CHED N#CC1(COC(=O)C2(Sc3ccccc3)CC2)CCC1 1328185096 CPKIOHCQPLMGHH-UHFFFAOYSA-N 287.384 3.548 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1329990207 ZRQQLAXEPNYDCE-CABCVRRESA-N 290.382 3.624 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CC(C2CC2)C2CC2)C1 1331247947 QSDGLKSHDLRDLU-CYBMUJFWSA-N 261.409 3.627 30 20 CHED C#C[C@](C)(CC)NCc1cnc(-c2ccccc2)s1 1333604286 GFRBQMQOKYJKAQ-MRXNPFEDSA-N 270.401 3.702 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)OCC1(C#N)CCCC1 1343403217 JCKNXAJUFMCMHG-UHFFFAOYSA-N 284.359 3.508 30 20 CHED COc1cc(C)nc(CSCc2ccc(CC#N)cc2)c1 1348860415 PBPQLKWRMRLNFI-UHFFFAOYSA-N 298.411 3.898 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)[C@@H](F)c1ccccc1 1436403196 UIKDPRBEQRFJBR-KRWDZBQOSA-N 294.329 3.548 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(C)c(C#N)c2)c1 1456140612 WOVFVVVAFWBTLR-OAHLLOKOSA-N 292.382 3.975 30 20 CHED N#Cc1c(F)cccc1CNC(C1CCC1)C1CCC1 1474512568 NSCARLUWFSPAJI-UHFFFAOYSA-N 272.367 3.756 30 20 CHED C=C(CC)C(=O)Nc1cccc(SC(F)F)c1 1519326562 FHZKQTHONZWLKA-UHFFFAOYSA-N 257.305 3.906 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)cc1F)[C@@H]1CCC[C@@H](C)C1 1529107589 QYHRKXJFGCSORL-MBNYWOFBSA-N 288.366 3.642 30 20 CHED Cc1nc2cc(NC(=O)c3csc(C#N)c3)ccc2s1 1538277347 KWKRTRTWFFBQOQ-UHFFFAOYSA-N 299.380 3.790 30 20 CHED C=C(CC)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 1548684936 ZRNUGVQKOUSJOV-LLVKDONJSA-N 293.235 3.651 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1cc(F)c(C#N)c(F)c1 1565803791 RQNIVGBLZVNAJA-SNVBAGLBSA-N 294.345 3.781 30 20 CHED CCCC[C@H](S[C@@H](C#N)CCc1ccccc1)C(=O)O 1605251396 RLFNZKDVHQOJKQ-CABCVRRESA-N 291.416 3.888 30 20 CHED COc1cc(C#N)ccc1CN(c1ccccc1)C(C)C 1642052140 IHQXICYHEOAYIV-UHFFFAOYSA-N 280.371 3.982 30 20 CHED CCc1ccccc1COc1ccc(C#N)c(OC)c1 1652807693 POCGVQDNUOMDQO-UHFFFAOYSA-N 267.328 3.708 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)n1 1657505275 LQYKQYHCWAZLDR-YIOZNXECSA-N 295.430 3.744 30 20 CHED Cc1ccc(CNCc2cc(C#N)ccc2F)c(Cl)c1 1663282984 WMKJVVNLOUWGCP-UHFFFAOYSA-N 288.753 3.949 30 20 CHED CC(C)c1ccccc1C=NNc1ccccc1C(=O)O 1776031300 YZYSTSPZPSLBMY-UHFFFAOYSA-N 282.343 3.954 30 20 CHED C=CCC1(C(=O)O)CCN(CCCSCC(C)C)CC1 1776163155 UFYDBEKFVZSYME-UHFFFAOYSA-N 299.480 3.509 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1cc(C(=O)O)c(C)o1)C2=O 1777455660 KOKPYZMJJGWYQI-FBWGLTFQSA-N 296.322 3.978 30 20 CHED COc1ccc(Sc2cccc(F)c2C#N)cc1 7907637 DOIWCHHXWYPUMU-UHFFFAOYSA-N 259.305 3.857 30 20 CHED Cc1ccc(CCC2CCN(CCC#N)CC2)cc1 53847549 DLCQXGXGCQEPHK-UHFFFAOYSA-N 256.393 3.553 30 20 CHED CN(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 58860181 WFEHFNKDAAGFIG-UHFFFAOYSA-N 299.761 3.876 30 20 CHED C[C@@H](NC(=O)c1cccc(SCC#N)c1)C1CCCC1 175947210 VNJJIPLDSDKFNF-GFCCVEGCSA-N 288.416 3.611 30 20 CHED C=C(C)CN1CCC(NCc2ccc([C@@H]3C[C@H]3C)o2)CC1 106245748 QYWFYFALBQSUQX-RHSMWYFYSA-N 288.435 3.533 30 20 CHED Cc1cc(C)cc(NC(=O)CSc2ccccc2C#N)c1 173709825 QJDMRFRYTXFEAG-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CCN(Cc1cccc(O)c1)[C@H](C)c1ccc(C#N)cc1 119873725 MNJVBCMVHKVXMB-CQSZACIVSA-N 280.371 3.847 30 20 CHED CCC(CC)[C@@H](CNCC(C)(C)CCC#N)N1CCCC1 174262052 USOQPYNEBIBJFI-QGZVFWFLSA-N 293.499 3.807 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccccc1C 20126342 ASRGWKALRXPMBP-MRXNPFEDSA-N 279.383 3.858 30 20 CHED N#CCC[C@@H](C#N)CN1CCCC2(CCCCCC2)C1 174802168 UYVWNYUSMAGGDD-INIZCTEOSA-N 273.424 3.866 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cccc3c2OCO3)c1 303307950 OBYITDQMQAVTMS-VOTSOKGWSA-N 280.323 3.928 30 20 CHED N#Cc1ccc(N[C@H]2CCCSC2)cc1Cl 61572870 GTUADQOKPDITER-NSHDSACASA-N 252.770 3.519 30 20 CHED Cc1ccc2cccc(NC(=O)c3cccc(C#N)c3)c2n1 66235540 CFURWTCUVPGPMA-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(Br)cc1 116995852 BWWDUEZFZUHMDO-SECBINFHSA-N 283.169 3.535 30 20 CHED CC/C=C(/C)C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 1341183017 NVMHJGQSMBLJCH-JOHMGYAOSA-N 294.354 3.724 30 20 CHED CC[C@H]1CCC[C@H]1c1nnc(COc2ccccc2C#N)o1 1261573643 ZZSDDZLCWPIKSB-GXTWGEPZSA-N 297.358 3.814 30 20 CHED N#Cc1ccc(CNc2c(Cl)cccc2C#N)cc1 301548630 FLEPVBGUNIYFKD-UHFFFAOYSA-N 267.719 3.695 30 20 CHED N#CCCN(Cc1ccco1)C(=O)c1cc2ccccc2o1 60626088 MAHPKNVQHVMDKL-UHFFFAOYSA-N 294.310 3.582 30 20 CHED CC[C@H](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C 1345867048 LOGLSNJZZWEHGA-CYBMUJFWSA-N 269.348 3.833 30 20 CHED Cc1cc([C@@H](C)Nc2nc3ccccn3c2C#N)c(C)o1 302072886 FROMQFLPKKILAY-LLVKDONJSA-N 280.331 3.589 30 20 CHED Cc1cccnc1[C@H](NCc1ccccc1C#N)C(C)C 172349972 DMNXPYLDGZXVHG-QGZVFWFLSA-N 279.387 3.749 30 20 CHED N#Cc1cccc(N[C@H](c2ccccc2)C2CCC2)n1 301814440 CSVFTXBXSDPTGP-QGZVFWFLSA-N 263.344 3.907 30 20 CHED Cc1cc(C(=O)N(CCC#N)CCC(C)C)cc(C)c1F 121577343 XYZVXHXKXQGOPV-UHFFFAOYSA-N 290.382 3.845 30 20 CHED CC(C)(C)C1CCC(CC(=O)N[C@H](C#N)C2CC2)CC1 121146571 DBYKATYZPDBKOJ-PESDSKBTSA-N 276.424 3.647 30 20 CHED N#CCc1ccc(NCc2cccc3cccnc23)cc1 35222578 UJAWAOSQMDQRMC-UHFFFAOYSA-N 273.339 3.913 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)CCSC 181112587 HLXPYNKEWKXWHC-QWHCGFSZSA-N 272.458 3.514 30 20 CHED C=CCCCC(=O)NC(C)(C)CCN1CCCCCC1 186830776 MVCWJWQKRCMTTG-UHFFFAOYSA-N 280.456 3.504 30 20 CHED CC[C@H](C#N)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 189683761 JWXLNOKYFNHXMN-CQSZACIVSA-N 292.810 3.717 30 20 CHED Cc1nc(CC(C)C)c(NC(=O)c2cccc(C#N)c2)s1 127760780 RIFMASSJKVTIFW-UHFFFAOYSA-N 299.399 3.774 30 20 CHED N#CCCCCSc1nnc2sc3ccccc3n12 121777104 LVFPJRKXQDJACA-UHFFFAOYSA-N 288.401 3.730 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 185556571 VZZNUBFQZGKCOP-SFHVURJKSA-N 283.415 3.722 30 20 CHED N#Cc1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1 36302060 OSMOTYSKTMBGMG-UHFFFAOYSA-N 299.198 3.833 30 20 CHED CC(C)(C#N)CC(=O)N1CCCc2cc(F)cc(Cl)c21 415887284 FPJZGGYCMMDZAE-UHFFFAOYSA-N 294.757 3.698 30 20 CHED CC1(C)C[C@@H](NC(=O)C2(C#N)CCCCC2)c2ccccc21 127346092 ABTJDZNBLPMQDO-MRXNPFEDSA-N 296.414 3.999 30 20 CHED COc1ccc(CN2CCCc3ccccc3C2)cc1C#N 316322905 FWIXZWAUNMGCDG-UHFFFAOYSA-N 292.382 3.515 30 20 CHED C#C[C@@H](C)NC(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 186044868 BWIPSSGZXUBIBW-ZIAGYGMSSA-N 298.386 3.937 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 78765491 KJKSYOCUTDLEBR-UHFFFAOYSA-N 295.729 3.530 30 20 CHED N#Cc1ccc(NC2CCCC2)cc1C(F)(F)F 36805544 JINNAZREIHNMHP-UHFFFAOYSA-N 254.255 3.932 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1ccc(C2CC2)cc1 416077756 KHVDKUPUKYHAEE-FSPWUOQZSA-N 299.414 3.722 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(F)cc1 120661916 MBURZEOTVQOZDK-LREOWRDNSA-N 260.239 3.567 30 20 CHED C=C[C@@H](CC(=O)OCc1scnc1C)c1ccccc1 123210168 HPJRJXBCXNJQKO-ZDUSSCGKSA-N 287.384 3.855 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc2ccsc12 410116514 CBZNEIQMDZVKPL-LBPRGKRZSA-N 259.374 3.986 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 33476464 VAWZLPSBCVJBRI-BAQGIRSFSA-N 289.237 3.769 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cnc(C#N)c(Cl)c1 411034961 TYKAAVPYUZHXAV-SECBINFHSA-N 279.771 3.617 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C)c2ccccc21 188241252 OIAKQWMKHGEZHY-KBXCAEBGSA-N 287.403 3.756 30 20 CHED C=CCC1(C(=O)NCc2ccccc2OCC2CC2)CCC1 187968299 RNGLOFKUMBSVGT-UHFFFAOYSA-N 299.414 3.838 30 20 CHED CC(=O)c1ccccc1OCCSCC1(C#N)CCC1 419346012 MGSHLLICXBNFOC-UHFFFAOYSA-N 289.400 3.695 30 20 CHED C[C@H](NCC#N)c1ccc(OCc2ccc(F)cc2)cc1 182012429 ORNICJXTMFHFIX-ZDUSSCGKSA-N 284.334 3.579 30 20 CHED CCCN(CC#N)C(=O)c1csc(C2CCCCC2)n1 413212881 ZJIGTWJWXZEJBK-UHFFFAOYSA-N 291.420 3.567 30 20 CHED COc1cc(CSCCC#N)ccc1SC 413015522 SWSIMKCHIMBJID-UHFFFAOYSA-N 253.392 3.564 30 20 CHED C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1ccc(C#N)cc1 125586051 QCKZOOXJEONJTH-ZIAGYGMSSA-N 278.355 3.539 30 20 CHED CCN(Cc1cccc(F)c1)Cc1ccc(C#N)s1 120016898 WPDDLPZJSOTZGC-UHFFFAOYSA-N 274.364 3.781 30 20 CHED C=CCCOC(=O)c1ccc(C2SCCS2)cc1 126606530 KNNWCGWFMSUOPJ-UHFFFAOYSA-N 280.414 3.898 30 20 CHED Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cn1 121499044 XGPUZDQMYFNCFY-INIZCTEOSA-N 294.358 3.557 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(SC(C)C)cc1 410830882 XFAMIZFIWOWLBX-AWEZNQCLSA-N 290.432 3.951 30 20 CHED N#CC1CCN(C(=O)Nc2cccc3ccccc23)CC1 70213041 ZIORPIAZBLHODY-UHFFFAOYSA-N 279.343 3.607 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)CCCCCC 217421653 RLWPNPKZZAVECT-CQSZACIVSA-N 254.418 3.953 30 20 CHED C=CCOCCSCc1csc(CCC)n1 419386737 QELUKKMAKZVXJM-UHFFFAOYSA-N 257.424 3.531 30 20 CHED CC(C)[C@@](C)(NCCC#N)c1ccc(Br)cc1 411621538 OHVXQGNBBCIRGH-CQSZACIVSA-N 295.224 3.824 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 410135786 SGARSIRYNKCIKS-CYBMUJFWSA-N 290.363 3.803 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1ccc(Cl)s1 133157587 YZXRTBRFLHLVEH-SNAWJCMRSA-N 288.759 3.945 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H](C)SCCCC 187196747 OQRJMFQEDHLUSA-CYBMUJFWSA-N 291.416 3.559 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(C(F)(F)F)c1 410135163 PNZPHDVBFJCDHO-LBPRGKRZSA-N 271.282 3.790 30 20 CHED N#CCC[C@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 130605902 QKZYTUWEWWJLSU-OWLYRPNTSA-N 266.388 3.833 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCC[C@H]2C2CC2)CC1 414195830 OKNHLCXHHAZEMR-GYXIZQIFSA-N 260.425 3.875 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 48474359 PUKBEGYWHXCLJQ-NSHDSACASA-N 291.782 3.866 30 20 CHED C=CCSCC(=O)N[C@H](CC)c1ccc(Cl)cc1 44403756 HJUDQRTZDXFEEE-CYBMUJFWSA-N 283.824 3.827 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccccc1Cl 414166329 NIJXEBARJPRKJH-NSHDSACASA-N 250.773 3.930 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 229750415 NKEVALDWWCHLRW-CYBMUJFWSA-N 260.356 3.709 30 20 CHED C=CCC[C@H](CC)NC[C@H]1CCN(Cc2ccccc2)C1 192935785 UYQSYXVLQIXNQG-MOPGFXCFSA-N 286.463 3.843 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccccc1)C1CCCC1 192192081 IVKWCSLLRIKFFI-SFHVURJKSA-N 269.388 3.838 30 20 CHED N#Cc1ccc(F)c(CN2CCC[C@H]2c2ccc(O)cc2)c1 138909624 LWVNBAOGRNVGKZ-SFHVURJKSA-N 296.345 3.740 30 20 CHED CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NCCCC(C)(C)C#N 191402032 BHKBVXCPUHXRDK-KFWWJZLASA-N 280.456 3.746 30 20 CHED C[C@@H]1CCCC[C@@H]1/N=C(/O)N=C(O)CSCC1CC1 329636767 YIFYLRCCNSXEEY-PWSUYJOCSA-N 284.425 3.579 30 20 CHED Cn1cc(CNc2ccc(-c3ccccc3)cn2)cc1C#N 191570274 WQUWBXCFGXVHPB-UHFFFAOYSA-N 288.354 3.571 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccc(Cl)s1 424606238 PSAMIKYFBFTUNA-UHFFFAOYSA-N 271.813 3.663 30 20 CHED Cc1nc(C(C)C)oc1CN[C@@H](C)c1ccc(C#N)cc1 428314543 LCPDUWUVTSZAHE-LBPRGKRZSA-N 283.375 3.829 30 20 CHED N#CCc1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1 49638479 AZQZIPIRIHLFNF-UHFFFAOYSA-N 290.366 3.557 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C#N)c1 81179486 XHOILIGMHIIAQK-CJNGLKHVSA-N 270.376 3.599 30 20 CHED C[C@H]1CCC[C@@H](CC(O)=Nc2nc3cccnc3n2C)C1 329384838 PRGPMOFJKWMVTA-NWDGAFQWSA-N 286.379 3.773 30 20 CHED C=CCC1(C(=O)N(Cc2ccccc2)C2CC2)CCC1 191906244 YXPNDQLVDXRISB-UHFFFAOYSA-N 269.388 3.924 30 20 CHED CC(C)N(C(=O)CCCC#N)[C@@H](C)c1ccsc1 421692259 OQYQYMKTLPZQRG-LBPRGKRZSA-N 264.394 3.740 30 20 CHED C#CCCCC(=O)N[C@H](CCC)c1ccc(F)cc1F 192386312 UGWIWLUACOUCJJ-OAHLLOKOSA-N 279.330 3.726 30 20 CHED C=C(CC)COc1cccc2c1C(=O)CC(C)(C)O2 427567902 AVVMIDFYDYLNFO-UHFFFAOYSA-N 260.333 3.775 30 20 CHED C=CCOc1ccccc1CN1CC[C@@H]2CCC[C@H]21 428457052 LRQMVCOVTVSQBS-GOEBONIOSA-N 257.377 3.626 30 20 CHED CC[C@@H](CNc1cccnc1C#N)Oc1cccc(C)c1 517208365 HYAYJSNNYPBLOK-AWEZNQCLSA-N 281.359 3.531 30 20 CHED Cc1noc(C)c1CSc1ccc(C#N)cc1F 335185114 AALHGCUYHDRODQ-UHFFFAOYSA-N 262.309 3.595 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@H](CC(F)(F)F)C1 420955593 WPRFDRCGUASSDZ-LBPRGKRZSA-N 276.346 3.981 30 20 CHED CCC1(C(=O)NCc2ccc(C#N)s2)CCCCC1 421604764 RFBXQTAZARKDCJ-UHFFFAOYSA-N 276.405 3.596 30 20 CHED CC(C)(CCC#N)CNc1ccccc1O[C@@H]1CCOC1 92137347 XEKGCUQUBIBBCQ-CQSZACIVSA-N 288.391 3.596 30 20 CHED CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)C12CCCCC2 236877956 QVXVBWFXJBHQEC-QZTJIDSGSA-N 298.430 3.776 30 20 CHED C[C@H](C#N)/N=C(/O)c1cccc(OC2CCCCC2)c1 330621079 LNEIHESDFVXWLV-GFCCVEGCSA-N 272.348 3.615 30 20 CHED C=CCC(C)(C)CNCc1cnc([C@H]2CCCO2)s1 339415821 GBMPUNUIJIPUMP-CYBMUJFWSA-N 280.437 3.687 30 20 CHED Cc1cc(CSc2ccc(C#N)cc2Cl)on1 336191107 UUQZHBQOALUUIY-UHFFFAOYSA-N 264.737 3.800 30 20 CHED N#Cc1ccc(N2CCC[C@@H](c3ccccc3)C2)cc1 431480905 DZUBJKZIABKMJC-QGZVFWFLSA-N 262.356 3.942 30 20 CHED CC[C@@H](c1ccc(F)cc1F)N(CC)C[C@H](C)C#N 245764928 JGYMUVOGXBVWRZ-ABAIWWIYSA-N 266.335 3.897 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(SC(C)C)cc1 523669596 MKDXEULKGMHIHU-OAHLLOKOSA-N 276.405 3.609 30 20 CHED Cc1cc(N2CCC[C@@H](c3ccccc3)C2)cc(C#N)n1 431496191 SMKSEGMPNFGMFQ-MRXNPFEDSA-N 277.371 3.646 30 20 CHED CCO[C@@H]1C[C@H](N(C)CCCSCC#N)C1(CC)CC 434976530 CLRXVWYHGNCSHJ-LSDHHAIUSA-N 298.496 3.549 30 20 CHED C[C@@H]1C[C@@H](C)CN(CCCN[C@H](C)c2ccc(C#N)cc2)C1 245959219 XVBFKCLNBGNMQZ-BRWVUGGUSA-N 299.462 3.577 30 20 CHED CC[C@H](CC#N)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 249968584 XHWKLLKMHUDTFI-GVDBMIGSSA-N 256.393 3.680 30 20 CHED C[C@@H]1[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CCC[C@H]1C 249314270 NBBMYQDBDICTGI-KEYYUXOJSA-N 299.418 3.524 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(C(C)C)c1C1CC1 343258266 HMNNNUPLKGHCGS-ZDUSSCGKSA-N 289.423 3.816 30 20 CHED N#CC1(CSCc2cc(-c3ccccc3)no2)CC1 344466369 AFUINETYAXXXDX-UHFFFAOYSA-N 270.357 3.879 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccc2c(c1)oc1ccccc12 342946108 JUUDJTWGKASGAI-GOSISDBHSA-N 295.338 3.852 30 20 CHED C=CCCCCNC1CCC2(CCOCC2)CC1 349399087 BMASGULCFNEWJY-UHFFFAOYSA-N 251.414 3.672 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)oc2C)cc1Cl 435393759 IHKMJFZNFLPKBR-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CCC(=NNc1ccccc1[N+](=O)[O-])c1ccc(O)cc1 252461433 MIRCMPADDGVULU-UHFFFAOYSA-N 285.303 3.527 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C)c(C)cc1C 435737678 KPAYCKZRIJZNHV-FUHWJXTLSA-N 273.420 3.683 30 20 CHED O=C(/C=C\c1c(F)cccc1Cl)c1ccco1 255633718 ILDRUVPHFSROSN-SREVYHEPSA-N 250.656 3.968 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1scnc1C)C2=O 255290216 AWCFLTHQCLJORY-SDQBBNPISA-N 285.368 3.727 30 20 CHED N#Cc1ccc(O)c(NC(=O)/C=C\Sc2ccccc2)c1 255587040 ANWYQAGTBDFUTC-HJWRWDBZSA-N 296.351 3.508 30 20 CHED N#Cc1ccccc1CN1CCC[C@H]1Cc1ccc(F)cc1 604016873 KKHDOCOLZIBYRK-IBGZPJMESA-N 294.373 3.904 30 20 CHED N#Cc1ccncc1NCc1cc2c(s1)CCCC2 538742707 MTLORNLKRBJWJY-UHFFFAOYSA-N 269.373 3.506 30 20 CHED COCCOc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1 255627383 AGXYGAHTUPACPH-TWGQIWQCSA-N 286.327 3.509 30 20 CHED CCc1ccc(C=NOCc2ccc(C#N)cc2)cc1 255366443 CIUDDQMWXHESQY-UHFFFAOYSA-N 264.328 3.671 30 20 CHED C[C@@H](CCC#N)CNCC(C)(C)Oc1cc(F)cc(F)c1 602650532 NVOCGKUHGGOTJK-LBPRGKRZSA-N 296.361 3.652 30 20 CHED C=CC[C@@H]1N(c2nnc(C(C)C)n2C)CCCC1(C)C 350141574 XRTLGYLPYCORCV-ZDUSSCGKSA-N 276.428 3.510 30 20 CHED N#Cc1ccc(/C=C/c2nc(-c3ccsc3)no2)cc1 609474054 GBDWHPHFRJTMFA-AATRIKPKSA-N 279.324 3.840 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)c1ccco1 607500301 SPJWCVJPXCSZDO-AWEZNQCLSA-N 275.392 3.978 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1ccc(Cl)cc1 538331215 DFKJIHYFLBLXGX-GFCCVEGCSA-N 281.783 3.580 30 20 CHED C=CC[C@@H](C)N[C@@H](c1ccc2nc(O)oc2c1)C(C)C 359317924 UIFWQBLGIHXZRO-IAQYHMDHSA-N 274.364 3.785 30 20 CHED C[C@H]1CCC[C@H](C)C1NCc1ccc(C#N)cc1F 533309189 MYLLRQMXZSLFEE-RYUDHWBXSA-N 260.356 3.612 30 20 CHED C[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccc(C#N)cc1 264287680 AIBCBTZWHUEPJZ-QWHCGFSZSA-N 297.402 3.592 30 20 CHED CCC1CCC(C(=O)Nc2cc(C#N)ccc2NC)CC1 355653040 HERMKMVOTCXPKP-UHFFFAOYSA-N 285.391 3.755 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1 619673638 NZCPQMMRVLNXJP-KZULUSFZSA-N 278.355 3.602 30 20 CHED C[C@H](C1CCC1)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 356959309 JFFBSPBNKPOVAO-RHSMWYFYSA-N 299.418 3.861 30 20 CHED CCC(C)(C)c1ccc(NC(=O)NCCCC#N)cc1 448116108 KPKTUVSLRKYYEA-UHFFFAOYSA-N 273.380 3.799 30 20 CHED N#CCN(C(=O)c1cc2cccc(F)c2o1)c1ccccc1 610225890 YYMXQWMSWLFKSN-UHFFFAOYSA-N 294.285 3.742 30 20 CHED N#Cc1cc(CN[C@H](CC2CC2)c2ccccc2)ccn1 611395835 XCWLYFJDSXOTSG-GOSISDBHSA-N 277.371 3.584 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 351830200 DWQGLCGOROAVMS-MRXNPFEDSA-N 299.399 3.997 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CC[C@H](C)C1 350740537 DQIDCTVTFYJNLS-BFHYXJOUSA-N 276.428 3.602 30 20 CHED COc1ccc(N/C(N)=N/[C@@H]2C[C@H]2CC(C)C)cc1Cl 263165246 RDLVRJQJEANQDQ-ZWNOBZJWSA-N 295.814 3.510 30 20 CHED N#CC[C@H](CC(=O)N1CC[C@H](CC2CC2)C1)c1ccccc1 359693391 HHEBFVZKBDNFKM-SJLPKXTDSA-N 296.414 3.723 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2CCC(F)(F)CC2)C1 617781766 UFYGBUSLGCLLKL-LBPRGKRZSA-N 271.351 3.627 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CO[C@H]1CCC[C@H](C)C1 530348188 PXYUHNWPSDDRJG-GJZGRUSLSA-N 294.439 3.513 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)C[C@@H](C)C1CCCCC1 530038193 KSBGRYPBFOQMDL-GFCCVEGCSA-N 288.391 3.748 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1 350616815 WRSLYXVSJBSVMY-UHFFFAOYSA-N 267.319 3.526 30 20 CHED C=CCOc1cccnc1C(=O)Nc1cc(C)ccc1C 539293026 QKOYVUUUOQMVTA-UHFFFAOYSA-N 282.343 3.516 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cc(Cl)ccc1OCC 539296476 BCUNBFIAIJBZGE-STQMWFEESA-N 297.826 3.574 30 20 CHED COCCN(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 533387002 USMVFAUDTMXQTM-UHFFFAOYSA-N 298.361 3.659 30 20 CHED CCCCO[C@@H]1C[C@H](NCc2cc(C#N)cs2)C1(C)C 530904081 CSNDQZUYLCEKQV-LSDHHAIUSA-N 292.448 3.693 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccccc2CC)C1 617782324 CKWQPVIPVHBBMA-AWEZNQCLSA-N 257.377 3.677 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2CCC3(CCCCC3)O2)C1 618578030 XJWDVOWAKGNGJV-PMPSAXMXSA-N 276.424 3.540 30 20 CHED C=CCCc1noc(-c2ccc(COC(F)(F)F)cc2)n1 453222733 ARHJBWSUJDKZHC-UHFFFAOYSA-N 298.264 3.892 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](c1ccccc1)C(C)C 459085826 WFLSKTHWYNSVFK-MRXNPFEDSA-N 274.408 3.991 30 20 CHED CC/C=C\CNC(=O)c1cn(CCCC#N)c2ccccc12 452608641 YPGOLEZFPNIBKZ-CLTKARDFSA-N 295.386 3.641 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C(C)(C)c1cccc(Cl)c1 611249691 OCNHPUVKNNVGEF-AWEZNQCLSA-N 292.810 3.672 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1scnc1CC 537246672 DPQXLVXZLDNEEM-SNVBAGLBSA-N 267.398 3.572 30 20 CHED CCCc1cc(=NCC2(CC#N)CC2)c2ccccc2[nH]1 362359956 RCVVVFBQBCANGR-UHFFFAOYSA-N 279.387 3.715 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C#N)C2CCCCC2)C1(C)C 610502078 WAYBIBJXOISNIX-OAGGEKHMSA-N 288.435 3.813 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1c1ccc(F)c(F)c1 364424616 QZRVWCLDPSQMNY-HNNXBMFYSA-N 285.297 3.573 30 20 CHED C=CCCc1noc(C[C@@H](C)c2cccc(F)c2)n1 453244368 CTPOPVPUCLPZTC-LLVKDONJSA-N 260.312 3.674 30 20 CHED C=CCC(C)(C)C(=O)NC1CCC(CSC)CC1 452483712 SHHAWSUTPZHUGC-UHFFFAOYSA-N 269.454 3.627 30 20 CHED C=C(CC)CSCC(=O)NCCCOC1CCCCC1 540193496 XZGDMBIZBHUIFC-UHFFFAOYSA-N 299.480 3.541 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(C#N)cc1F)C2 361108102 JHAGPAJYQMUEBD-UHFFFAOYSA-N 266.319 3.522 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H]1c1cccs1)OCC 270019783 AILJKUGYXNRLQG-KBPBESRZSA-N 293.432 3.783 30 20 CHED C=CCOCCCN1[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 451147185 NYYPCVTZSGXDFI-XQQFMLRXSA-N 279.346 3.630 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)N1CCC(F)(C#N)CC1 459469332 RUEYBARURROTAZ-CYBMUJFWSA-N 272.367 3.564 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2cccnc2s1 452139476 NPVAAVOSWRWIIW-UHFFFAOYSA-N 274.389 3.628 30 20 CHED C=C[C@@H](CC(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1ccccc1 458268830 ZDAVITROAXFVPL-ORQFMDKSSA-N 269.388 3.651 30 20 CHED CCN(CCC1CC1)c1ncc(Cl)c(C)c1C#N 544847147 CGUYDUROFBCQKB-UHFFFAOYSA-N 263.772 3.542 30 20 CHED CC(C)C[C@@H](C)CN1CCC(C#N)(c2ccccn2)CC1 367058320 SBHSZINOPGQFCB-MRXNPFEDSA-N 285.435 3.621 30 20 CHED Cc1nc(-c2ccc(C)c(N[C@H]3CCC[C@@H](C#N)C3)c2)n[nH]1 274242403 WMIZEFZEZCGENB-HIFRSBDPSA-N 295.390 3.583 30 20 CHED C[C@H]1SCCN(CC2(C#N)CCC2)[C@@H]1c1ccccc1 450415047 AIPODOSCHPZABQ-ZBFHGGJFSA-N 286.444 3.859 30 20 CHED C[C@H](N[C@@H]1c2ccc(F)cc2O[C@H]1C)c1cccc(C#N)c1 367578139 UYCIAKAJWAVUQW-PZROIBLQSA-N 296.345 3.870 30 20 CHED C=CCn1c(C2CC2)nnc1N1CC[C@@H](CC(C)(C)C)C1 453430476 DADNARZDIVRUBM-ZDUSSCGKSA-N 288.439 3.604 30 20 CHED Cc1ccccc1CNc1ccccc1NC(=O)[C@@H](C)C#N 360591819 SJRSLVHUQATPJX-AWEZNQCLSA-N 293.370 3.705 30 20 CHED Cc1cccc(Cl)c1C(=O)NCC(C)(C)CCC#N 452100847 IREHQUPIAWAJRE-UHFFFAOYSA-N 278.783 3.708 30 20 CHED CC[C@H](C)CN(CC)C(=O)c1ccc(Cl)c(C#N)c1 543479533 FLCRRDNVEAQZDV-NSHDSACASA-N 278.783 3.720 30 20 CHED Cc1ccc(-c2ccc(CNCCCC#N)o2)cc1 273065577 NIHZEMBEMFJNFV-UHFFFAOYSA-N 254.333 3.648 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(F)cc1C 451968644 JEALJNPKPJRTKM-DOTOQJQBSA-N 277.383 3.598 30 20 CHED CC[C@@H](O)c1ccc(OCc2ccc(C#N)cc2OC)cc1 270902125 JSRGCHRACZYBCR-QGZVFWFLSA-N 297.354 3.589 30 20 CHED C[C@]1(NC(=O)Nc2ccc(C#N)cc2Cl)CC=CCC1 459472330 VYXRMBFFAQHWKX-HNNXBMFYSA-N 289.766 3.832 30 20 CHED C[C@@H]1CCN(CC2(C#N)CCC2)[C@H]1c1cccc(F)c1 450456552 UBOUSAVJIWTOCC-CZUORRHYSA-N 272.367 3.902 30 20 CHED CC#CCCCC(=O)NCc1ccccc1C(F)(F)F 274298350 RLRKGRPRGJQMDT-UHFFFAOYSA-N 283.293 3.515 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 467816960 YKERDNLTRFHPHF-OVYGPGRDSA-N 273.420 3.696 30 20 CHED CC[C@@H](CNc1nccc(C)c1C#N)Oc1ccccc1F 542277670 SJGQRIRHZQCJQW-ZDUSSCGKSA-N 299.349 3.670 30 20 CHED CCC[C@@H](NC(=O)CC(C)(C)C#N)c1ccccc1 278481659 KCWCYZANYKCJTE-CQSZACIVSA-N 258.365 3.584 30 20 CHED CCCC(=CC(=O)Nc1cc(C)n(CCC#N)n1)CCC 271325266 DXWVKRQXSXXFJF-UHFFFAOYSA-N 288.395 3.570 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(C)cc2F)no1 274115282 YHSNPEWMSVWMJF-NSHDSACASA-N 276.311 3.838 30 20 CHED N#CCC[C@H](NC(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 370816729 ORULFVQTGUPRKM-ULQDDVLXSA-N 297.402 3.758 30 20 CHED Cc1cc(C(F)(F)F)nc(Sc2cccc(C#N)c2)n1 541992512 FRDARBXLDZJNAZ-UHFFFAOYSA-N 295.289 3.827 30 20 CHED C[C@H](CCc1ccccc1)CNCCc1cccc(C#N)c1 466424955 KITYDOZUHGPRTO-QGZVFWFLSA-N 292.426 3.959 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCN(CC)c1ccccc1 467736002 SQTLIODEIXRRHQ-SFHVURJKSA-N 288.435 3.622 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 540463482 NVSNVDUISGFMFM-HZPDHXFCSA-N 281.440 3.787 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H]1C=CCCC1 466531434 QFINXUMOZCFDRG-INIZCTEOSA-N 276.424 3.873 30 20 CHED C=C(CC)CNc1ccc(C(=O)NCC(C)C)cc1C 552634295 XJLNTFQBEFKTHJ-UHFFFAOYSA-N 274.408 3.759 30 20 CHED CC(C)CCc1noc([C@@H](C)c2cccc(C#N)c2)n1 461798776 CMEJPFIRBZBFHM-LBPRGKRZSA-N 269.348 3.682 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1CC2 465115704 YLPSHVGTDPRMEK-LLVKDONJSA-N 283.396 3.818 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 284858457 DIAPEPNGRGAZOJ-ACJLOTCBSA-N 284.403 3.682 30 20 CHED Cn1ccc2c(NC(=O)NCC(C)(C)CCC#N)cccc21 554223538 KJONEAVVPQOEDF-UHFFFAOYSA-N 298.390 3.630 30 20 CHED C=CCOCCN[C@@H](Cc1ccccc1)c1ccccc1 385896248 WWCWYQNKTODWFV-IBGZPJMESA-N 281.399 3.763 30 20 CHED C[C@@H](N(C)C(=O)c1cc(C#N)ccc1Cl)C(C)(C)C 556777608 NMXGPMHQDPIGIW-SNVBAGLBSA-N 278.783 3.718 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H]2CCC2(C)C)cc1 806169598 NXWSQYFFGWVNIT-BBRMVZONSA-N 257.377 3.538 30 20 CHED C#C[C@@H](NCc1cnc(C2CCCC2)s1)C(C)(C)C 809780965 BZWZLQVHWUTUBG-CQSZACIVSA-N 276.449 3.938 30 20 CHED Cc1ccnc(NCc2ccc(OCC#N)cc2)c1Cl 804427206 SQOXGLWEKLGOSG-UHFFFAOYSA-N 287.750 3.558 30 20 CHED Cc1cccc2cc(C(=O)O[C@@H](C#N)C3CC3)sc12 808990217 PZDARQWQMTXRFQ-LBPRGKRZSA-N 271.341 3.669 30 20 CHED C=C(C)CCOC(=O)c1csc(-c2ccc(O)cc2)n1 803333097 XOBXCSPUJXMHIG-UHFFFAOYSA-N 289.356 3.639 30 20 CHED C=C(C)[C@@H](N=c1cc(C)[nH]c(C#N)c1)c1ccc(F)c(F)c1 561276025 ZOQWRFUANZHRGU-QGZVFWFLSA-N 299.324 3.691 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H](C)CC(F)F)cc1 563359151 HQUDBQOOTOWEQI-BXUZGUMPSA-N 294.345 3.563 30 20 CHED CCC[C@@H](C#N)NC(=O)C1(c2ccccc2C)CCCC1 562822282 QZLYSFDVQUQQNI-HNNXBMFYSA-N 284.403 3.615 30 20 CHED Cc1cccc(C)c1COC(=O)CCCCCC#N 805697901 KEHJJHOZGFSGBK-UHFFFAOYSA-N 259.349 3.821 30 20 CHED C=CCCCCNC(=O)C/C=C/c1ccccc1F 471674439 SCYLUONZANQXQJ-CSKARUKUSA-N 261.340 3.702 30 20 CHED C=CCCCC(=O)Nc1ccc(O)c(COC(C)C)c1 290589266 MEIBMNHAODDUFH-UHFFFAOYSA-N 277.364 3.612 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)[C@@H](C)CC)c1ccc(Cl)cc1F 804422972 CCCDMJRAXGAYSM-PGUXBMHVSA-N 295.785 3.952 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](C)CCCc1ccccc1 292532068 VBLYDIMCWKKTKE-INIZCTEOSA-N 284.403 3.574 30 20 CHED N#Cc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)nc1 562045773 PCTGXOFASQDADI-IBGZPJMESA-N 291.398 3.974 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 297708186 IBBAVQACGSIIKI-ZDUSSCGKSA-N 276.767 3.623 30 20 CHED C#CCC1(C(=O)Nc2cc(C#N)ccc2NC)CCCCC1 803312594 ZHKLOHQAZIRPLB-UHFFFAOYSA-N 295.386 3.512 30 20 CHED C#CCCCC(=O)OCC(=O)c1cccc(Cl)c1Cl 801862882 GDWCGXMJVUBEDV-UHFFFAOYSA-N 299.153 3.523 30 20 CHED N#Cc1ccc(C(=O)OC2(Cc3ccc(F)cc3)CC2)cc1 802792319 HIHAZIYGWLSTKJ-UHFFFAOYSA-N 295.313 3.629 30 20 CHED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CCOCC1 561133097 ZBWBPOHERZJQNH-RBUKOAKNSA-N 298.430 3.730 30 20 CHED C=CCCCCN1CCn2c(C3CCCC3)nnc2[C@@H]1C 569899601 ASIPRZIFXNDORF-AWEZNQCLSA-N 288.439 3.669 30 20 CHED CC(=NNc1ccccc1Br)c1ccc[nH]1 812462252 JPHABMHDUYAPQS-UHFFFAOYSA-N 278.153 3.613 30 20 CHED CCc1ccc(C#CC(=O)N(C2CCC2)C2CCC2)cc1 817048752 DBWGFJOSWICMDW-UHFFFAOYSA-N 281.399 3.534 30 20 CHED N#CCCCC(=O)Oc1ccc(Cl)cc1Cl 812822552 TYFLSHOJZHXAEH-UHFFFAOYSA-N 258.104 3.593 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(CC)C[C@H](C)C#N 484389613 YKEXWTQZZPXXIQ-ZBFHGGJFSA-N 278.440 3.991 30 20 CHED CC(=NOCC1CC1)c1sc(-c2cccnc2)nc1C 814243479 YNDSSPMQKDNNCW-UHFFFAOYSA-N 287.388 3.664 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccc2oc3ccccc3c2c1 566522779 ZIZGQXTWSPIUSR-NSHDSACASA-N 293.326 3.867 30 20 CHED CC#CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 482643285 RCRBQNXULYXQQV-OAHLLOKOSA-N 292.810 3.750 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 488567289 QFKZIOSLHPKBAM-MRXNPFEDSA-N 298.361 3.791 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(C)c(OC)c2)no1 568323749 CGSADVZKXJPEEP-UHFFFAOYSA-N 295.342 3.708 30 20 CHED C=CCN(CCc1cccc(C)n1)Cc1ccc(OC)cc1 569807264 DBUVFUJGSLUYPC-UHFFFAOYSA-N 296.414 3.629 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1 819053424 KCVCODJXVPSLKK-UHFFFAOYSA-N 272.392 3.828 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1c[nH]c2cccc(C)c12 489774801 XGZSGIMZROIITG-UHFFFAOYSA-N 284.403 3.737 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N1CC[C@@H]2CCCC[C@@H]21 574694702 WQMKQSFLLOIHHB-KSZLIROESA-N 296.414 3.550 30 20 CHED CSc1ccc(C(C)=NOC/C=C/Cl)cc1 811669711 SLVPLKZDADNJIF-MIWAIYDISA-N 255.770 3.902 30 20 CHED CC(=NOC1CCC1)c1cnn(-c2ccc(F)cc2)c1C 812235255 QMCDUKVZZUUTKD-UHFFFAOYSA-N 287.338 3.613 30 20 CHED C=CCCCCCNC(=O)CCC(=O)c1ccc(F)cc1 577076050 LYIGRIUZSTXFFX-UHFFFAOYSA-N 291.366 3.651 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1ccc(F)cc1C 819815000 KRVUAOOLVPWQSR-GFCCVEGCSA-N 271.339 3.604 30 20 CHED Cc1cccc(C)c1C=NN[C@@H](C)COc1ccccc1 811667743 CFZBJPAIMQYRMA-INIZCTEOSA-N 282.387 3.694 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC12CCCC2 811666716 IQBCSRUOKGNLQV-CQSZACIVSA-N 272.392 3.754 30 20 CHED C=CC1CCN(CCOc2cccc(CC)c2)CC1 570068660 ILPUNUPSRPHMDE-UHFFFAOYSA-N 259.393 3.526 30 20 CHED C=CCC[C@@H](NC(=S)NC1CCC1)c1ccccc1 814199916 DJFSFJGDXLPBID-OAHLLOKOSA-N 274.433 3.711 30 20 CHED C#CCON=C(CC(F)(F)F)c1ccc(Cl)cc1 812236362 MXATYXRPTBTPMV-UHFFFAOYSA-N 275.657 3.646 30 20 CHED Cc1cc(CNCC2(C#N)CC2)ccc1Oc1cccnc1 570622967 BTMOWEPLUACCRH-UHFFFAOYSA-N 293.370 3.576 30 20 CHED C=CCC1(C(=O)Nc2nc3c(s2)CCC3)CCCC1 578426958 SSKJWNMNEDUIRE-UHFFFAOYSA-N 276.405 3.707 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(OC(C)C)c(C)c1)C(C)C 821559219 BKHADQUMTYMWEB-HNNXBMFYSA-N 288.391 3.562 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 573753334 XGRWXPZMXUPWRA-UMVBOHGHSA-N 288.391 3.653 30 20 CHED Cc1cccc(/C=C/C(=O)c2cccc(CN(C)C)c2)c1 821021505 GJPKHMLHCBYRTB-ZHACJKMWSA-N 279.383 3.953 30 20 CHED COc1ccc([C@@H](C)NCC2(C#N)CC2)c2ccccc12 903101655 KMMODNKOPJQQIR-CYBMUJFWSA-N 280.371 3.803 30 20 CHED C#C[C@H](C)N(C)C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 491670970 PSWYTPOKQFOJOI-IKGGRYGDSA-N 293.451 3.622 30 20 CHED C=CCCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 660708196 NHQSFPQMFWAHPR-JTQLQIEISA-N 263.772 3.785 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCCCCC#N 588336538 CCAMURRXAVRNMP-UHFFFAOYSA-N 270.376 3.675 30 20 CHED C=CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccncc1 734234615 RTYUYYIFSREBOI-OAGJVSPASA-N 278.355 3.528 30 20 CHED CSCCCCc1noc(/C=C\c2ccccc2C#N)n1 903792300 JTUFOBWAKJWPQH-KTKRTIGZSA-N 299.399 3.797 30 20 CHED C=CCCNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 665966730 KZUOJWPNEVCHGK-UHFFFAOYSA-N 292.427 3.633 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](C1CC1)C(F)(F)F 588325453 WHVOSMVNLXTNCQ-GJZGRUSLSA-N 294.320 3.866 30 20 CHED CC(C)c1ccc(C[C@H](C)NC[C@H](C#N)CCC#N)cc1 583867075 RAATXCVJQOWUJZ-RDJZCZTQSA-N 283.419 3.774 30 20 CHED Cn1cc(C=NNc2c(F)cccc2Cl)c(C2CC2)n1 901221213 VXDLKPFTZCFJDF-UHFFFAOYSA-N 292.745 3.536 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CCC)c1ccccc1 736398914 IWBGEPUBFUVWFI-CYBMUJFWSA-N 266.772 3.580 30 20 CHED C=CCCC[C@H](N)c1nc(C2CCC(C)CC2)no1 904576403 HSZPODTYCPWBJI-BPCQOVAHSA-N 263.385 3.719 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2cnccc2C(F)(F)F)no1 904106710 RTALPNPGXMHLLX-VIFPVBQESA-N 297.280 3.905 30 20 CHED Cc1ccc(F)c(C=NNc2cccc([N+](=O)[O-])c2C)c1 734980391 ZZXAXQWJOKOZGV-UHFFFAOYSA-N 287.294 3.797 30 20 CHED CCOc1cccc(/C=N/[C@H]2CC[C@H](C)CC2)c1O 730950260 BULZLKPVGGFWPG-DAALMZRNSA-N 261.365 3.789 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2cccc(F)c2[C@@H]1C 582828978 JLICMJSJCCZMDQ-LBPRGKRZSA-N 290.382 3.667 30 20 CHED Cc1cccc(-c2ccc(CNC(=O)C#CC3CC3)cc2)c1 837426700 OORLWQZXXUVICJ-UHFFFAOYSA-N 289.378 3.692 30 20 CHED CCCCCCC(C)=NNc1ccc([N+](=O)[O-])cn1 915965792 CACIIBZLPTWPSF-UHFFFAOYSA-N 264.329 3.748 30 20 CHED Cc1cnccc1C=NN[C@@H](Cc1ccccc1)C(C)C 834971988 JBRZVDWYQLDKQO-SFHVURJKSA-N 281.403 3.581 30 20 CHED CCON(CC1CCCCC1)C(=O)CCCCCC#N 837200562 KCWOFHLCOCABAM-UHFFFAOYSA-N 280.412 3.821 30 20 CHED C[C@H]1CN(C(=O)Nc2cccc(C#N)c2)Cc2ccccc21 916992952 DXBIXHFOUJEONP-ZDUSSCGKSA-N 291.354 3.709 30 20 CHED C#CCCCCC(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 837928723 IBRQKTVDWMBEOB-MSOLQXFVSA-N 283.415 3.975 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@@H](C)CC(C)C 741639035 NRWUBEUQCLXHKG-ZDUSSCGKSA-N 291.366 3.849 30 20 CHED CCc1nc(NN=C(C)c2ccccc2)sc1C 749263841 XFJRSGOSJCKIFR-UHFFFAOYSA-N 259.378 3.850 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 593520516 PLDDIQLSKDYVSQ-HUUCEWRRSA-N 299.418 3.862 30 20 CHED N#CC1(c2cccc(-c3ccoc3)c2)CCOCC1 592989100 RDXXDNNJAOZJKQ-UHFFFAOYSA-N 253.301 3.518 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 840667025 DTTRMUULUWFXHT-LSDHHAIUSA-N 292.762 3.522 30 20 CHED COc1cccc(O)c1/C=N\CCc1cc(C)cc(C)c1 740763906 SWIAPZMVAPXBJK-UNOMPAQXSA-N 283.371 3.679 30 20 CHED C[C@@H]1CCCN1Cc1cccc(-c2cncc(C#N)c2)c1 592986450 NZKIZRIYQXBKNR-CQSZACIVSA-N 277.371 3.605 30 20 CHED CC#CCCCC(=O)OCc1ccc2nc(C)sc2c1 842857514 HQCCSJVRKRJXAH-UHFFFAOYSA-N 287.384 3.842 30 20 CHED C=CCCCC(=O)OCc1ncc(-c2cccs2)o1 748234856 ICCRRJSTKNBRAZ-UHFFFAOYSA-N 277.345 3.803 30 20 CHED O=C(C#Cc1ccccc1)NCc1cc2ccccc2s1 747366358 HCTPNMHCRXOCHD-UHFFFAOYSA-N 291.375 3.569 30 20 CHED CC(=NNc1ncc(F)cc1F)[C@@H]1C[C@H]2C=C[C@H]1CC2 842536748 YRNNDFSYUDACQL-GVXVVHGQSA-N 277.318 3.750 30 20 CHED N#CCc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)cc1 595781611 DINXFKMICSVXGG-IBGZPJMESA-N 298.430 3.534 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](O)CC(C)(C)C#N 598585276 BLBHFRXHSLQEHO-WFASDCNBSA-N 294.826 3.634 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1C#N 597568089 JKFYHAVNDHNIJR-INIZCTEOSA-N 282.387 3.718 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](CC)c1cccc(Cl)c1 844284266 CURYASHHKPYNNL-MFKMUULPSA-N 282.771 3.596 30 20 CHED Cc1cc(C#N)ccc1CN1CC(C)(C)[C@H]1c1cccnc1 596591010 GFAIUAGPNAUMGX-GOSISDBHSA-N 291.398 3.845 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NNCc1ccccc1 741458364 XQFNARJDOSTHBL-UHFFFAOYSA-N 297.358 3.693 30 20 CHED CCC(=NNc1cc(C)nc(C)n1)c1cccc(Cl)c1 915970894 RODICPPSBSTHPI-UHFFFAOYSA-N 288.782 3.973 30 20 CHED CCON=Cc1cc(Cl)ccc1OCc1cccnc1 914695454 VZSIIOBLLFRDKH-UHFFFAOYSA-N 290.750 3.684 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H]([C@@H](C)O)C1 747393736 FHEWGMWPKJFHPP-HZPDHXFCSA-N 298.471 3.539 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(Cl)cc1O 841753099 SBBLDNCPIHPBES-WQGACYEGSA-N 295.810 3.677 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cn1)[C@H]1C[C@H]1C 841602149 AGSINUKEVTYKER-SCZZXKLOSA-N 271.286 3.934 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1CCc1ccc(C#N)cc1 595429730 JGSUDQXNIADBGT-WFASDCNBSA-N 296.336 3.764 30 20 CHED C=C[C@@H](C)ONC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 845635125 FBPHNPYZAIYSDJ-ZIAGYGMSSA-N 288.391 3.503 30 20 CHED Cc1cc(C#N)ccc1CSCCn1cc(Cl)cn1 591404651 NJKKXRQCHXINBD-UHFFFAOYSA-N 291.807 3.650 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)c1ccccc1 745624964 QMYKDGYEVZDAAF-UHFFFAOYSA-N 282.347 3.896 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C(\CC)c1ccc(C)cc1 741681456 MRYKOZAYLAEHDF-WSYSLRRZSA-N 270.376 3.597 30 20 CHED CCCCCCCSC[C@H]1CCNC(=O)CC1 842187427 WSNDVZWPCYMZIU-CYBMUJFWSA-N 257.443 3.606 30 20 CHED Cc1ccc2ncc(CN3CCC[C@@](C)(C#N)C3)cc2c1 591026516 IUZHGOKYNKLWCP-SFHVURJKSA-N 279.387 3.669 30 20 CHED C#C[C@@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 744181682 WJNSMCLEIPXRQC-CYBMUJFWSA-N 291.306 3.529 30 20 CHED C=C(C)CCOC(=O)c1ccc(Br)c(F)c1 744304533 RLNBEXHUNGQXNI-UHFFFAOYSA-N 287.128 3.711 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2nc(Cl)c(C#N)s2)CC[C@H]1C 841223106 GAEMADKAFDTEPM-VGMNWLOBSA-N 297.811 3.679 30 20 CHED C#C[C@H](OC(=O)[C@@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1 842409738 RUOOAYKNIGLBIU-WQAKAFBOSA-N 282.261 3.579 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CCC(C)=C(C)C1)c1ccccn1 842709943 IBKTWMBEDWHFRS-WBVHZDCISA-N 283.371 3.826 30 20 CHED Cc1cccc(F)c1CN=c1c(C#N)c[nH]c2ccccc12 742421084 JZBFNYRDZNDIGI-UHFFFAOYSA-N 291.329 3.588 30 20 CHED C=CCSCCN[C@@H](c1cccc(C)c1)c1ccccn1 925349525 COBXQEOAVZDZKW-SFHVURJKSA-N 298.455 3.988 30 20 CHED Cc1ccc(C#N)cc1-c1nc([C@H]2CCOC(C)(C)C2)no1 924091225 MXJRHDPRWSFXNR-ZDUSSCGKSA-N 297.358 3.589 30 20 CHED C=CCOCCCC(=O)O[C@H](CC)c1ccc(F)cc1F 744169010 SDDMCYSLJZGONJ-OAHLLOKOSA-N 298.329 3.942 30 20 CHED C=C(C)CCOC(=O)CCOc1cc(C)cc(C)c1 744300334 WCRNZPSRGXTOQA-UHFFFAOYSA-N 262.349 3.582 30 20 CHED N#C[C@H](C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1nc(C2CC2)cs1 842941517 ARSPPXIYEVAECI-MROQNXINSA-N 286.400 3.633 30 20 CHED C#CCN(C(=O)N[C@@H](C)c1cc2ccccc2o1)C(C)C 922133255 FIOMRBGPGJAPLN-ZDUSSCGKSA-N 284.359 3.547 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCCOc2cc(F)ccc21 925972352 FNWOUCSBJMNZFX-DOMZBBRYSA-N 290.382 3.957 30 20 CHED COc1cccc2c1C/C(=C/c1cc(C)ccc1F)C2=O 759663555 FBQHBDLBNQZPDM-LCYFTJDESA-N 282.314 3.965 30 20 CHED C=CCCOCc1nc(C2(c3cccc(C)c3)CC2)no1 685699244 NMBXLPISAYUJDF-UHFFFAOYSA-N 284.359 3.551 30 20 CHED CCOc1ccc(C=NOCCOc2cccc(C)c2)cc1 852212233 XITYIGJIOCWCQD-UHFFFAOYSA-N 299.370 3.823 30 20 CHED N#CCOc1ccc(CNCc2ccccc2C2CC2)cc1 751147526 VPPZMTOHZMHTOM-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CC(=O)Nc1cccc([C@H](C)N[C@H](C)CC(C)(C)C#N)c1 924597946 CKVZDAFNSCDTCG-OLZOCXBDSA-N 287.407 3.624 30 20 CHED CCCCCCCNC(=O)N(C)[C@@H](C)c1cccnc1 858111922 YQYCBGKAVRAEGJ-AWEZNQCLSA-N 277.412 3.754 30 20 CHED N#Cc1ccc(C(=O)OCCOC2CCCCCC2)s1 750397866 SMEDGVYFJZNKJM-UHFFFAOYSA-N 293.388 3.516 30 20 CHED C=C[C@H](C)NC(=S)Nc1ccc(CCCC)cc1 756794955 FQQWLMWTPBPGSP-LBPRGKRZSA-N 262.422 3.890 30 20 CHED C/C(=C\C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccc1 851211564 KTGSGAQRUHVWJY-JWAFFJSPSA-N 271.360 3.961 30 20 CHED C(=NOCc1ccccc1)c1c[nH]nc1-c1ccccc1 755631854 KUSJEJBDQASLET-UHFFFAOYSA-N 277.327 3.627 30 20 CHED Cc1cccc(C=NNc2cncc(Br)c2)c1 758130499 RVHPTZDMMVSRDH-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 758360483 WLFXFKGAOIUGIT-JGVFFNPUSA-N 287.241 3.667 30 20 CHED Cc1cnccc1COC(=O)C[C@@H](CC#N)c1ccccc1 859674356 XXXFBHGVTPRFNF-MRXNPFEDSA-N 294.354 3.521 30 20 CHED C#CC[C@@H](NC(=O)NCCCC(C)(C)C)c1ccccc1 757036781 WBWSFRBBBZOGJW-MRXNPFEDSA-N 286.419 3.877 30 20 CHED CCC(C#N)(CC)C(=O)OCC[C@]1(C)C[C@@]1(F)Cl 860839587 SHOGLMRTBJNAPE-YPMHNXCESA-N 275.751 3.564 30 20 CHED C=CCC(C)(C)COC(=O)c1conc1C(C)C 860786241 ZQORFMVIZCDGCI-UHFFFAOYSA-N 251.326 3.557 30 20 CHED CCc1cccnc1C(C)=NNc1c(C)cccc1F 769840140 IAEDKQXDTFVMIZ-UHFFFAOYSA-N 271.339 3.928 30 20 CHED N#CCc1ccc(C(=O)Oc2ccc(Cl)c(F)c2)cc1 761917998 HXBLLWPWIKHYMA-UHFFFAOYSA-N 289.693 3.764 30 20 CHED CC(C)O[C@@H]1CC(=NNc2ncccc2Cl)C1(C)C 764905676 ZMJMOWVREGSHOR-GFCCVEGCSA-N 281.787 3.726 30 20 CHED C=CCOC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 766618013 HYQUWNGDZYJWSC-CABCVRRESA-N 268.397 3.871 30 20 CHED Cc1ccc(F)c([C@H](C)OC(=O)c2ccc(C#N)s2)c1 764338035 JKFPXYGRPUIGEZ-JTQLQIEISA-N 289.331 3.985 30 20 CHED Cc1oc2ccccc2c1CC(=O)[C@@H](C#N)c1ccccn1 767958480 FWQLZBZOVOIAPK-HNNXBMFYSA-N 290.322 3.555 30 20 CHED N#Cc1ccccc1COC(=O)c1cccc(Cl)c1F 763502266 SYWUBLZBIFAHGF-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CCCCCCC[C@@H](C)NC[C@@H](O)c1ccc(C)o1 768518528 VCVRRUCEGSQDCC-UKRRQHHQSA-N 267.413 3.960 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C)c1 769828908 LBECKCVKSQDXPA-UHFFFAOYSA-N 287.294 3.878 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(CC)o1 760679582 PBAFPRWNGLRUEN-UHFFFAOYSA-N 273.307 3.605 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(-n2cccn2)cc1 769784248 RSRSBHPOODHANW-YVMONPNESA-N 278.311 3.670 30 20 CHED N#CCCCCCC(=O)OC1CCC(F)(F)CC1 860973174 PDDJZWRMPKRGPS-UHFFFAOYSA-N 259.296 3.582 30 20 CHED C#CCOc1ccc([C@H](C)NCc2c(C)cccc2F)cc1 766217415 ZOJJSUSSDXQDHT-HNNXBMFYSA-N 297.373 3.997 30 20 CHED CC1(C)CCC/C(=C\c2cnc(Cl)c(C#N)c2)C1=O 1118227184 JTFNGKZIJUBSFT-IZZDOVSWSA-N 274.751 3.769 30 20 CHED Cc1ccc(F)c(C=NNc2cc(C#N)cc(Cl)n2)c1 768377185 YFIJUEMBDTWEKO-UHFFFAOYSA-N 288.713 3.500 30 20 CHED C=C[C@H]1CCCCN1Cc1ncc(-c2ccccc2)[nH]1 1118945001 WLLVMDCHWOVHJO-HNNXBMFYSA-N 267.376 3.617 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CC2(Cl)Cl)n1 767156160 JUZRTXGWXYBTST-JTQLQIEISA-N 298.217 3.856 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)CCc2ccc(F)cc21 777467629 MBTGMMWZISUMJP-GHXNOFRVSA-N 271.266 3.572 30 20 CHED C#CCCCCCCNc1cccc(N2CCCNC2=O)c1 876868720 JOSQOJKLEZVEHP-UHFFFAOYSA-N 299.418 3.602 30 20 CHED Fc1ccc(/C=C\C=NOCCC(F)(F)F)cc1 777461217 WMTWARMPZQDRGK-YXZRFDQFSA-N 261.218 3.794 30 20 CHED N#CCc1ccc(C(=O)Nc2ccccc2Cl)cc1 58242948 GXFXGELNOOMTDQ-UHFFFAOYSA-N 270.719 3.658 30 20 CHED CC(=O)[C@](C#N)(CCN1CCC[C@@H](C)[C@H]1C)c1ccccc1 878129520 KJUDRQHIKMUKLO-GPMSIDNRSA-N 298.430 3.547 30 20 CHED C=C(C)CNc1cc(C)n(-c2cccc(Cl)c2)n1 776853117 FMFPTAQNSQIRHT-UHFFFAOYSA-N 261.756 3.822 30 20 CHED C=CCCC[C@@H](NC[C@H](C)CCO)c1ccccc1 883194279 RQYILSDSZIWZJQ-NVXWUHKLSA-N 261.409 3.692 30 20 CHED C#CCCCCCC(=O)Nc1n[nH]cc1-c1ccccc1 889871841 HHBNRINQMPMVCQ-UHFFFAOYSA-N 281.359 3.599 30 20 CHED C=CC[C@H](C(=O)OCCCCC#N)c1ccccc1 778426048 BPNJTFSTHKNUFD-HNNXBMFYSA-N 257.333 3.583 30 20 CHED C=C(CC)COC(=O)c1ccc(Br)cc1F 773457083 VRUBDYSXLACDCN-UHFFFAOYSA-N 287.128 3.711 30 20 CHED C#CCCCN[C@H](C)c1ccc(OC(C)C)c(OC)c1 775012702 GXVYVQCLLYGNJI-CQSZACIVSA-N 275.392 3.546 30 20 CHED C[C@@H](NN=C1CCC(C)(N2CCCC2)CC1)C(C)(C)C 884472178 RNMATNJKCZVGJF-XPCCGILXSA-N 279.472 3.795 30 20 CHED C#CCCCCC(=O)Nc1n[nH]c(C)c1-c1cccc(F)c1 881209373 FCRKRJDKMCEWMD-UHFFFAOYSA-N 299.349 3.656 30 20 CHED CCCCCCOc1ccc(C(=O)NCCCC#N)cc1 784139222 VFGCAWSVYNJLEH-UHFFFAOYSA-N 288.391 3.679 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1c(O)cccc1F 886610774 JMCBWVWDBMQIFN-NSHDSACASA-N 264.344 3.512 30 20 CHED CSc1ccc2c(c1)CCCC2=NOC[C@@H]1CCOC1 788036668 LCBMPMRWZWYKCT-GFCCVEGCSA-N 291.416 3.502 30 20 CHED C[C@@H](OC(=O)/C=C\c1ccc(O)cc1)c1cccc(C#N)c1 782437996 BZTHAFZYXLUMQA-PGJNLMOESA-N 293.322 3.581 30 20 CHED Cc1ccc2nc(/C=C3/Cc4c(F)cccc4C3=O)cn2c1 789126974 GQKONVPOVBFLGD-GHXNOFRVSA-N 292.313 3.604 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H]1CCOc2cc(F)ccc21 786636266 FETRWMGWEIXIAN-XJKSGUPXSA-N 278.323 3.795 30 20 CHED CCc1cccc(Cl)c1C=NNc1ccccn1 788700792 RAWUUQLPQCETPX-UHFFFAOYSA-N 259.740 3.743 30 20 CHED COCCC1(C=NNc2ccnc(F)c2)CCCCC1 780243439 UCEGQXYWHMBBCZ-UHFFFAOYSA-N 279.359 3.605 30 20 CHED CC(=NNc1ccccc1)c1cc(C(=O)O)ccc1C 788407977 JEUJMANHUOLWEA-UHFFFAOYSA-N 268.316 3.529 30 20 CHED O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccccc1F 884003272 IRGKYQPEKOICKG-FLIBITNWSA-N 292.313 3.908 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1c(C)noc1CC 1123411880 SRZQCDFREXIWDX-LBPRGKRZSA-N 277.368 3.508 30 20 CHED C/C=C(/CC)C(=O)N(CCC#N)CC(CC)CC 788842975 XKXVPCLHGFCAHO-AUWJEWJLSA-N 250.386 3.521 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1csc(Cl)c1 786352571 CRWUTEGIMFRMCH-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2nccnc2Cl)C1 783846298 LSBQXDYWLCNMAJ-MNOVXSKESA-N 266.776 3.744 30 20 CHED N#CCN(Cc1cccc(SC(F)(F)F)c1)C1CC1 781327796 MZMNLVTYAGGPIB-UHFFFAOYSA-N 286.322 3.786 30 20 CHED C=CCOc1cccc(CNc2cnn(C3CCC3)c2)c1 897874364 VQFZNLFVPLNABL-UHFFFAOYSA-N 283.375 3.785 30 20 CHED CC1(C)C[C@H](NN=C2CCc3ccc(Cl)cc32)CCO1 780251086 RNIQRZXCRNYLCG-CYBMUJFWSA-N 292.810 3.538 30 20 CHED N#Cc1ccncc1NCc1csc2ccccc12 83481900 XJFOLZIKBXDMNZ-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=CCCC(=O)N1CCC(c2cc(C)cc(C)c2)CC1 891291590 WISJPBAFBOZIOJ-UHFFFAOYSA-N 271.404 3.976 30 20 CHED N#CCCCCOC(=O)[C@@H](F)CC1CCCCC1 796208986 MOLYXAQBXOLFLB-ZDUSSCGKSA-N 255.333 3.532 30 20 CHED Cc1cc(C#N)ccc1Oc1cc(Cl)nc(C2CC2)n1 301990276 MFIJWYGITUSKIJ-UHFFFAOYSA-N 285.734 3.980 30 20 CHED Cc1cc(C#N)ccc1NCc1ccc(C(C)(C)O)cc1 893245867 JCTLZYJJESTVKW-UHFFFAOYSA-N 280.371 3.706 30 20 CHED CN(CCOc1ccc(Cl)cc1)c1ccc(C#N)cc1 505750307 PVKSAFMZBBQZMH-UHFFFAOYSA-N 286.762 3.727 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cccc(C#N)c1 303876547 IMBAHAFBIYYJEY-UHFFFAOYSA-N 259.353 3.649 30 20 CHED N#CCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 185947052 DYTVLNISVIBJTC-LBPRGKRZSA-N 283.158 3.571 30 20 CHED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(C)(C)C#N 796783030 GPMOHKCDMWYMBQ-HIFRSBDPSA-N 284.359 3.555 30 20 CHED CC1(C)C[C@@H](NN=C/C=C\c2ccc(F)c(F)c2)CCO1 794932700 JNLOFQKCRCQAMH-WDLJGWBESA-N 294.345 3.511 30 20 CHED C=CCN(CC[C@@H](O)c1ccccc1)Cc1ccccc1F 795869933 XZWQOELFVWMRKH-LJQANCHMSA-N 299.389 3.937 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@H]1CCSC1 790598236 KPQOQTKGVHOGMF-HJPCULJESA-N 271.385 3.717 30 20 CHED C#CC[C@@H](OC(=O)[C@H]1CCC(=O)c2ccccc21)C(C)(C)C 793210872 XSQVTYGGGYLNQR-DOTOQJQBSA-N 298.382 3.728 30 20 CHED CC[C@H](C)CON=C(C)c1cc(OC)c(OC)cc1C 793163355 JESHKMTXFHQSQQ-NSHDSACASA-N 279.380 3.799 30 20 CHED CCc1cccc(OC(=O)/C=C/c2ccccc2C#N)c1 799767542 RDSBVKUVHLCSLZ-ZHACJKMWSA-N 277.323 3.739 30 20 CHED N#Cc1ccc(NN=Cc2ccc(C(F)F)cc2)cc1 794493819 NEEKQDDFKVBOGE-UHFFFAOYSA-N 271.270 3.942 30 20 CHED Cn1nccc1[C@@H]1CCCC(=NOC2CCCCC2)C1 790298634 OBPAAZMJHUSUTA-CYBMUJFWSA-N 275.396 3.783 30 20 CHED Cc1ccc(C(=O)Nc2ccc3scnc3c2)cc1C#N 799323140 SALBZMBMRIRXMV-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C(C)=C(\C)CC 797159474 GWVJPVVEXVQRBT-VAWYXSNFSA-N 271.364 3.675 30 20 CHED CSCCON=C(C)CCc1cccc(F)c1 794574515 HGPRTQVFWCROGU-UHFFFAOYSA-N 255.358 3.514 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc(F)cc1F 798375282 GOEXKCLJGKOQMY-SNVBAGLBSA-N 270.348 3.606 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1c(C)cc(C)cc1O 799884311 LAWHPOGLOSUEDI-UHFFFAOYSA-N 289.766 3.894 30 20 CHED Cc1ccc(C(=O)NCC[C@@H](C)c2ccccc2)cc1C#N 799326959 JXSAKSJXWLUUEF-OAHLLOKOSA-N 292.382 3.790 30 20 CHED Cc1cccnc1NN=Cc1ccccc1C1CC1 790192727 CBOKXZCXINZTJG-UHFFFAOYSA-N 251.333 3.713 30 20 CHED CCCCCCCN1CCC[C@H](c2ccnn2C)C1 740875249 OCQMEAHQDTZOAK-HNNXBMFYSA-N 263.429 3.570 30 20 CHED CCOC1CCC(N[C@@H](C)c2cccc(C#N)c2)CC1 595025736 MBNVVHMOEUKEFG-IGEOTXOUSA-N 272.392 3.557 30 20 CHED CS[C@@H]1CCC[C@H](N[C@H](C)CC(C)(C)C#N)C1 695860166 SWYSNAFTCVCEMM-FRRDWIJNSA-N 254.443 3.579 30 20 CHED COc1ccc(CNc2ccc(Cl)c(F)c2)cc1C#N 87823598 NUYLVQQLFZWEBZ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@H](c1cccc(C#N)c1)N1Cc2ccccc2CO1 1308018833 FNXGZRHUEOTGCP-CYBMUJFWSA-N 264.328 3.567 30 20 CHED CC(C)(C)CCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 1220782438 IZUZUYAXFYSKBP-INIZCTEOSA-N 299.418 3.671 30 20 CHED C[C@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)n2)CC1 1163076500 SKWYJGYNWFVVQI-WDEREUQCSA-N 263.772 3.987 30 20 CHED CCCCN(CC)c1nc(C(C)(C)C)ccc1C#N 1641965349 NUUSKWVLXPKQNP-UHFFFAOYSA-N 259.397 3.877 30 20 CHED C=CCC1(C(=O)N(C)[C@H]2CC[C@@H](SC)C2)CCCC1 1326489295 QSAOGUUWPINNGK-UONOGXRCSA-N 281.465 3.865 30 20 CHED CN(C)c1cccc(Cl)c1C=NNCC1CCCC1 1323323349 QAYPSIRIZDDXJD-UHFFFAOYSA-N 279.815 3.520 30 20 CHED C=CCC(C)(C)CNCc1ccc(F)c(OC)c1 1326257535 HMKKSQXTYUHEFF-UHFFFAOYSA-N 251.345 3.526 30 20 CHED C#CCCCCC(=O)N[C@@H](CC)c1ccc(F)cc1 1320436864 LOUHWKOKYCIDQP-HNNXBMFYSA-N 261.340 3.587 30 20 CHED Cc1ccc(N[C@@H](C)c2cc(C)oc2C)c(C#N)n1 1333134388 VSCAAJQAMNKCPV-NSHDSACASA-N 255.321 3.645 30 20 CHED Cc1cccc(C(C)(C)NC(=O)CC#Cc2ccccc2)c1 1332981006 FHQQBWXFOIGLQM-UHFFFAOYSA-N 291.394 3.788 30 20 CHED Cc1csc(SCc2ccc(C#N)s2)n1 1188168784 ATJQWGNVGBYJFI-UHFFFAOYSA-N 252.389 3.677 30 20 CHED CC(=O)c1ccc(C#N)c(NCC(C)(C)c2ccncc2)c1 1336561926 KHCGKTICULDLDW-UHFFFAOYSA-N 293.370 3.546 30 20 CHED CC[C@H](NCCCC(F)F)c1cccc(C#N)c1 1333148797 BYXSCNNIORXSPT-ZDUSSCGKSA-N 252.308 3.644 30 20 CHED CC(C)[C@H](C(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1263377479 CAOKCMLRDACJBD-PBHICJAKSA-N 296.345 3.837 30 20 CHED CC[C@H](F)C(=O)O[C@@H](c1cccs1)[C@H](C#N)CC 1344256450 DVKBZGVFIBNKOX-JBLDHEPKSA-N 269.341 3.630 30 20 CHED C=C(CC)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 1347364380 PPNIZJOMHBFNGR-UHFFFAOYSA-N 288.391 3.510 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 1340562053 FJENBLCHRTZVPO-DYVFJYSZSA-N 274.408 3.545 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccc(OC3CCCC3)cc2)C1 1344016944 KJMIXPYPLAHHBS-CXAGYDPISA-N 299.370 3.857 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2ccccn2c1 1347522139 NNIFPUGYUCBKPG-OAHLLOKOSA-N 268.360 3.510 30 20 CHED N#C[C@@H](C(=O)/C(F)=C\C1CCCCC1)c1cccc(F)n1 1357664562 WGBUXHXVYXTKSI-AUWXEVLLSA-N 290.313 3.831 30 20 CHED CC1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCCCCC1 1528490014 NEYQARPPVBHTQY-ZIAGYGMSSA-N 263.381 3.972 30 20 CHED C[C@@H]1CCc2c(C(=O)O[C@H]3CC[C@@H](C#N)C3)csc2C1 1524711525 CXYYYHQGMWEGKR-UTUOFQBUSA-N 289.400 3.722 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1c[nH]c(C(=O)O)c1)C2=O 1600391483 IVOKZWCYZAWRQG-NTUHNPAUSA-N 295.338 3.542 30 20 CHED CC(=O)c1cc(NC(=O)c2cccc(CC#N)c2)ccc1C 1530081674 SPNMNYDBPWUBQU-UHFFFAOYSA-N 292.338 3.516 30 20 CHED CSc1cccc(N(C)C(=O)c2ccccc2CC#N)c1 1464678129 BBZDGMMXPAIBSF-UHFFFAOYSA-N 296.395 3.751 30 20 CHED CSc1cccc(NC(=O)Nc2cc(CC#N)ccn2)c1 1476948079 ZOQWVJDKLMJCJN-UHFFFAOYSA-N 298.371 3.514 30 20 CHED N#Cc1ccc(OC(=O)CCCc2cccs2)c(F)c1 158000619 KBQDMVYAIJRTOH-UHFFFAOYSA-N 289.331 3.687 30 20 CHED C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](C#N)CCc1ccccc1 1628457247 QWEMRRTUNKSHEE-BFYDXBDKSA-N 284.403 3.548 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@]2(C)CCCC[C@H]2C)c1 1625601925 RWVLSCCBLBIQRO-CXAGYDPISA-N 285.391 3.957 30 20 CHED N#Cc1nc(NCCC2Cc3ccccc3C2)ccc1Cl 1559166022 USJHZMYZVYANFY-UHFFFAOYSA-N 297.789 3.824 30 20 CHED CS[C@H]1CCC[C@H](Nc2c(F)cc(C#N)cc2F)C1 227358445 KSGDDVAQHNLAFL-QWRGUYRKSA-N 282.359 3.923 30 20 CHED N#Cc1nc(N[C@H]2C[C@@H]2Cc2ccccc2)sc1Cl 1639493670 VPLOOFHNNDVRIO-QWRGUYRKSA-N 289.791 3.711 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(-c2ccccc2)cnc1C 1637976099 YMDLAPKOJJCVCN-CYBMUJFWSA-N 279.343 3.545 30 20 CHED Cc1cc(C#N)cc(NCc2cc3ccccc3n2C)c1 1658123553 XQGTXOHLXVBRJN-UHFFFAOYSA-N 275.355 3.971 30 20 CHED C[C@@H](Nc1cc(C#N)cnn1)c1cc2ccccc2s1 1651752961 NDCQWLNSGALTIM-SNVBAGLBSA-N 280.356 3.736 30 20 CHED N#Cc1ccc(NC(=O)c2cc(F)cc3ccoc23)cc1F 1583075872 MDIOXPMUJNCXSU-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1674212993 DLGDFNRETHZVMI-LBPRGKRZSA-N 289.354 3.741 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)Nc1cc(F)cc(C#N)c1 1679891466 VYYZZKHWXCYLFF-LBPRGKRZSA-N 289.354 3.645 30 20 CHED CCC(CC)C(C)=NNc1ccc(C(=O)O)c(F)c1 1776076471 QCJMOXGKIUGUMZ-UHFFFAOYSA-N 266.316 3.748 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(C(=O)O)c2)ccc1C 1777289679 XFZVXEIESSHNNC-CMDGGOBGSA-N 296.322 3.598 30 20 CHED O=C(O)/C=C/c1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1 1776131403 QANDQBWTPGJKSV-JTAXDKCCSA-N 296.297 3.820 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)c1ncccc1C#N 12810392 APADVIZCLGDJTL-UHFFFAOYSA-N 279.387 3.887 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ccc(OCC#N)cc1)CC2 160764278 MXOLSZHKZSVNPQ-GOSISDBHSA-N 278.355 3.997 30 20 CHED C=C(C)COCCN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 163512160 OLWXMKWBHWYMLM-ARFHVFGLSA-N 251.414 3.528 30 20 CHED COC(=O)c1cc(NCCCC(C)(C)C#N)cc(C)c1C 153674563 BNRGYBDGMAOIJZ-UHFFFAOYSA-N 288.391 3.832 30 20 CHED CO[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 157529423 OCUFZWLIOOQORE-ZIAGYGMSSA-N 298.308 3.947 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)NCCCC(C)(C)C 154676104 CRGXTNIEDDWAOV-UHFFFAOYSA-N 287.407 3.526 30 20 CHED C#Cc1ccc(CNc2ccc(OCC)cc2)cc1 809595915 UJWPQTHQXFRKDB-UHFFFAOYSA-N 251.329 3.679 30 20 CHED C#Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 809616426 XNUXMJZMHYTDOZ-SFHVURJKSA-N 265.331 3.584 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)[C@](C)(C#N)CC)c1 136237468 AUEGDCAVYUCCRX-WBMJQRKESA-N 274.364 3.742 30 20 CHED COc1ccc(NCc2ccc(C#N)cc2F)cc1Cl 20041223 KUBKBWZGYCOFRL-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@@H](N(C)CCCOc1ccc(C#N)cc1)C(C)(C)C 42253310 GORLDXHQFCGKON-CQSZACIVSA-N 274.408 3.694 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)[C@H]1C[C@H]2CC[C@H]1C2 251551048 LPDAQDKCFKMDMA-LMRQPLJMSA-N 272.367 3.612 30 20 CHED CCN(Cc1ccc(C#N)cc1)c1cccc(F)c1 44349922 YGDUDJRURAIXQE-UHFFFAOYSA-N 254.308 3.724 30 20 CHED CC[C@H](NC(=O)C1(C#N)CCCCC1)C1CCCCC1 52343175 MDSQUHYCHLNNOY-HNNXBMFYSA-N 276.424 3.936 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(C(C)=O)c1 181042351 MLYBHERFILZHFM-GFCCVEGCSA-N 274.364 3.756 30 20 CHED CC1(C)CCCC[C@H]1C(=O)NC1(C#N)CCCCC1 192578370 MCYUUWLDSJJEGF-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED Cc1ccc(C(C)C)cc1Oc1cncc(C#N)n1 401284656 NISVXSXYRLDXND-UHFFFAOYSA-N 253.305 3.572 30 20 CHED CCC(C)(C)C1CCC(NC(=O)C2(C#N)CCC2)CC1 408188547 GRWQMLHLTWMWHK-UHFFFAOYSA-N 276.424 3.791 30 20 CHED Cc1csc([C@H](C)N[C@H](C)c2cccc(C#N)c2)n1 80272929 STYULAPMZVRIEW-NEPJUHHUSA-N 271.389 3.735 30 20 CHED CN(c1nccc(C#N)c1Cl)[C@H]1CCc2ccccc21 429213720 KUUWISFVYJOPQU-AWEZNQCLSA-N 283.762 3.730 30 20 CHED CC[C@H](C)[C@H](CNc1cc(Cl)ccc1C#N)OC 381295739 PGSMFGTYAQAPEI-HZMBPMFUSA-N 266.772 3.685 30 20 CHED CC[C@@]1(C)CCN(c2nc(C)c(C#N)cc2Cl)C1 399432927 ZJYWHDSIVCFEMF-AWEZNQCLSA-N 263.772 3.542 30 20 CHED CC(=NNCc1ccccc1)c1csc(C(C)C)n1 768766814 DSHZWVQIXKJZFA-UHFFFAOYSA-N 273.405 3.780 30 20 CHED Cc1ccc(F)cc1NCc1ccc(C#N)cc1F 20053488 BRAVIOOUNVDGAB-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C[C@@H](NCCCOC1CCCCC1)c1ccc(C#N)cc1 20191430 MRMFSAQIDQWWMZ-OAHLLOKOSA-N 286.419 3.948 30 20 CHED CCC(CC)[C@H](CN[C@H](C)c1ccc(C#N)cc1)N(C)C 20202038 OLTVQVAOOFWSPS-KDOFPFPSSA-N 287.451 3.575 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1 23010196 HGKLAFFMQXAQBU-HZPDHXFCSA-N 267.372 3.845 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2ccco2)cc1 35136988 UAUNPSMGFVLNCQ-ZDUSSCGKSA-N 257.333 3.695 30 20 CHED Cc1ccc(-c2csc(NC(=O)C(C)(C)C#N)n2)cc1C 42092013 DBBQCFXCTTVGTF-UHFFFAOYSA-N 299.399 3.915 30 20 CHED CCc1ccc(CN(C)C(=O)Nc2cccc(C#N)c2)cc1 43329443 PYPPYIUBASIZQF-UHFFFAOYSA-N 293.370 3.785 30 20 CHED CC(=O)c1c(F)cccc1N(C)Cc1cccc(C#N)c1 45933124 ZDXIFZCIYGMBSB-UHFFFAOYSA-N 282.318 3.536 30 20 CHED CCOc1ccccc1CN(C)Cc1ccc(C#N)cc1 46527527 DHUHFGPEBOGOHL-UHFFFAOYSA-N 280.371 3.589 30 20 CHED Cc1ccccc1S(=O)(=O)/N=C(\O)CC1CCCCC1 46928073 LGFOOCLVYMMLTF-UHFFFAOYSA-N 295.404 3.611 30 20 CHED N#Cc1cccnc1N[C@H]1CCc2c(Cl)cccc21 49321827 CQNXNRNDKLGJPG-AWEZNQCLSA-N 269.735 3.706 30 20 CHED CN(Cc1cccs1)c1ccc(Cl)cc1C#N 52859593 IUOYSUWNGXPOJV-UHFFFAOYSA-N 262.765 3.910 30 20 CHED C=C(C)COc1cc(CNCc2ccco2)ccc1OC 57958882 HEXOGCADLVRTHP-UHFFFAOYSA-N 287.359 3.533 30 20 CHED CCc1ccsc1C(=O)N[C@H](C)c1cccc(C#N)c1 75272110 WINHICZZNUNLFV-LLVKDONJSA-N 284.384 3.673 30 20 CHED CC(C)(C(=O)[C@H](C#N)c1ccccn1)c1cccc(Cl)c1 77865837 MQODJRLZFLXLTA-CQSZACIVSA-N 298.773 3.889 30 20 CHED CC(C)(C#N)CCNc1ccc(OC(F)F)cc1 87591204 OANYRLNYGWTCQR-UHFFFAOYSA-N 254.280 3.640 30 20 CHED Cc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1[N+](=O)[O-] 91062052 XXHISGSNQQPZTA-CYBMUJFWSA-N 289.379 3.884 30 20 CHED CC[C@H](SC)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 91207187 WPYPOTKJNRDSQD-ZDUSSCGKSA-N 296.823 3.706 30 20 CHED N#Cc1ccc(OC2CCC(NC3CCCCC3)CC2)nc1 92854520 GHAZDNHQMSAWMF-UHFFFAOYSA-N 299.418 3.566 30 20 CHED N#Cc1ccncc1N[C@@H]1CCCc2ccc(F)cc21 92976439 KYPUOSRWCWLDHN-OAHLLOKOSA-N 267.307 3.582 30 20 CHED CN(CCC#N)c1ccc(CN2CC(C)(C)C2(C)C)cc1 93508069 BODNOHPMMVFCNU-UHFFFAOYSA-N 285.435 3.657 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)CC 97044232 UMSQKKLDHLEMGA-SNVBAGLBSA-N 271.813 3.962 30 20 CHED CCCCCCCCCC(=O)N1CCCC[C@@H]1CCO 103216867 KVVALNLYPQCEAU-MRXNPFEDSA-N 283.456 3.891 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(CCC#N)CC2CC2)cc1 103437490 DBKUJZWICOKBTH-CQSZACIVSA-N 284.403 3.505 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(F)c(Cl)c1 104973806 FMLDWBDYLBGGHB-UHFFFAOYSA-N 270.735 3.909 30 20 CHED CCn1cc(/C=C/C(=O)c2cc(C)c(C)cc2C)cn1 111998412 GDLYDAPGDLPBIZ-VOTSOKGWSA-N 268.360 3.724 30 20 CHED Cc1c(C(=O)O[C@@H](C)CC#N)oc2c(C)cccc12 113690548 MDYXZUVKKHLDDH-JTQLQIEISA-N 257.289 3.509 30 20 CHED CC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 117448550 KOULZCQWNNTWJA-HUUCEWRRSA-N 299.418 3.841 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cccc(-n2cccn2)c1 119023921 LSPVELYILBDTNE-VOTSOKGWSA-N 278.311 3.670 30 20 CHED C#CCCCCC(=O)Nc1ccc(N(CC)CC)cc1 119541426 GIPCXHLRRIBCDG-UHFFFAOYSA-N 272.392 3.665 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 119988308 ACLMNUKZZIJBFE-INIZCTEOSA-N 298.430 3.658 30 20 CHED CCN(CC)CCC[C@H](C)Nc1cc(C#N)cc(Cl)n1 122640056 AERBWFYSNRXAHN-LBPRGKRZSA-N 294.830 3.529 30 20 CHED CCc1noc([C@@H](C)O/N=C(/C)c2cc3ccccc3o2)n1 123240498 QNFLOPPABRAOMH-IPHDDYSGSA-N 299.330 3.880 30 20 CHED CC1(C)CCC(CC(=O)N(CCC#N)CC2CC2)CC1 125140178 IYTNIODYRWCHLU-UHFFFAOYSA-N 276.424 3.745 30 20 CHED CC[C@@H](C#N)Sc1nnc(Nc2ccc(C)cc2)s1 127066623 DJJVGUJIEXRROE-NSHDSACASA-N 290.417 3.984 30 20 CHED C#Cc1cccc(NCc2c(O)cccc2Cl)c1 127225325 NZKATZAXHRYHIX-UHFFFAOYSA-N 257.720 3.639 30 20 CHED C=CCn1c(S[C@H](C#N)CC)nnc1-c1ccccc1C 127857059 RYEMPSVXRKQLPB-ZDUSSCGKSA-N 298.415 3.834 30 20 CHED CCC(CC)c1cc(CNc2nc(C)ccc2C#N)on1 128002539 ULEIMBCRGGJLBJ-UHFFFAOYSA-N 284.363 3.765 30 20 CHED CCCCN(C(=O)c1sccc1C#N)[C@@H](C)CC 128064071 MDJMZGQZUHQVGY-NSHDSACASA-N 264.394 3.661 30 20 CHED CCCCC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 128765558 NRKMDWITAGUYGI-OAHLLOKOSA-N 294.354 3.677 30 20 CHED C=C(Cl)C[S@](=O)[C@@H](C)c1ccc(F)c(F)c1 131511697 WHWJAYFANDKLJJ-ZKANADHPSA-N 264.724 3.527 30 20 CHED CC(C)N(CC#Cc1ccc(Cl)cc1)CC(F)F 135384074 ARNPZCRRUCUDPD-UHFFFAOYSA-N 271.738 3.667 30 20 CHED CCN(Cc1cccc(F)c1)c1ccc(C#N)cc1[N+](=O)[O-] 143052744 BIZBKOFSHSAIFY-UHFFFAOYSA-N 299.305 3.632 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc(CC)cc2)CC1 152949677 FBTPQKRHTAKGPW-INIZCTEOSA-N 286.463 3.940 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCCc3sccc32)CC1 153017487 HRLJJSYSMVJDPG-MRXNPFEDSA-N 290.476 3.756 30 20 CHED C[C@H](CC#N)Nc1cc(C(C)(C)C)nc(C(C)(C)C)n1 153403088 KBJCWRRDTGETDH-LLVKDONJSA-N 274.412 3.786 30 20 CHED N#CCC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 153592062 BIPVJBYXQYEALI-KAUXGEHWSA-N 290.366 3.861 30 20 CHED C=C(C)CNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 156735570 VMCMPMFAPMNCJV-ZDUSSCGKSA-N 266.772 3.666 30 20 CHED Cc1cc(/C=C2/CCCC(C)(C)C2=O)ccc1-n1cncn1 158998664 JKVXZWONDLQATN-GDNBJRDFSA-N 295.386 3.738 30 20 CHED COc1cccc(Cl)c1CNc1ccc(C#N)cc1 163061055 IJAQMTXXUTWISG-UHFFFAOYSA-N 272.735 3.832 30 20 CHED N#CCCCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 170819895 YJHKGBDPINVZEA-MNOVXSKESA-N 298.169 3.944 30 20 CHED COc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1 172044879 PXVFBVYLCKTISW-JYRVWZFOSA-N 268.287 3.657 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2ccc(C#N)cc2)C1 173639049 YWCQVGKDJARGOQ-QGZVFWFLSA-N 270.376 3.601 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)NCCCCC#N)cc1 173687383 FBGOKYITFGMCTB-UHFFFAOYSA-N 289.379 3.679 30 20 CHED C=CCCCC(=O)Nc1ccccc1NCC(F)(F)F 175403134 RMQWEZSZSLZJPH-UHFFFAOYSA-N 286.297 3.956 30 20 CHED N#Cc1ccc(CNCc2cc3ccccc3o2)s1 176948571 WIUVHJCZNUBLAO-UHFFFAOYSA-N 268.341 3.656 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 177080035 RJEVMRPYJKPASS-MSOLQXFVSA-N 299.414 3.791 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C1(Cc2ccccc2)CC1 177513797 ZPXGEXITVLXBTJ-UHFFFAOYSA-N 294.329 3.659 30 20 CHED C=CCCCC(=O)Nc1ccccc1-c1nc(C(C)C)n[nH]1 177752267 XYQHYLCJSDNIER-UHFFFAOYSA-N 298.390 3.890 30 20 CHED C#CCCCN[C@@H](C)c1ccc(Br)s1 178054585 XRIKEUSKVSDIBT-VIFPVBQESA-N 272.211 3.575 30 20 CHED C#CCCCN[C@@H](C)c1ccc(F)cc1Br 178055230 FMGHJLREEQVUHN-JTQLQIEISA-N 284.172 3.652 30 20 CHED C=CCCCC(=O)N(c1ccccn1)C1CCCC1 178486162 RSYVASPWBLFFGE-UHFFFAOYSA-N 258.365 3.714 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(N2CCC(C)=N2)cc1 179797291 FNSRMAYPSKXNBJ-CQSZACIVSA-N 299.418 3.747 30 20 CHED Cc1ccc(F)cc1CN(CCC#N)Cc1ccco1 179879167 NASPYSQNRXNTBX-UHFFFAOYSA-N 272.323 3.643 30 20 CHED C=CCSCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 180459430 QQZCPSWHSDIHQW-CQSZACIVSA-N 280.393 3.555 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)[C@H](C)CC 181006216 JQWGTPHKDALCEM-OLZOCXBDSA-N 252.402 3.647 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(C(F)(F)F)CC1 181390644 GCZOUXKKYIWLNN-LLVKDONJSA-N 292.345 3.715 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc(C#N)s1 182296406 NXGSTEAIQLEFQD-ZZXKWVIFSA-N 271.316 3.963 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ccc(F)cc1 182636622 SCAFXWUAXLXECX-CYBMUJFWSA-N 263.356 3.619 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc2ccccc2c1 182703467 IGGXNRKJNYJZCI-UHFFFAOYSA-N 268.360 3.557 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 185614410 PAXLQBORQJZFKF-JTQLQIEISA-N 281.758 3.706 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(C)csc1C(=O)OC 186939526 BOVNLKMYOFCLKG-UHFFFAOYSA-N 293.388 3.550 30 20 CHED Cc1cc2occ(C(=O)O[C@@H](C#N)C(C)C)c2cc1C 187498830 WGVVHJRJLVVTDG-HNNXBMFYSA-N 271.316 3.755 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)C[C@H]1C=CCCC1 188604036 BMPFYPYZWAFXNL-HKUYNNGSSA-N 296.414 3.764 30 20 CHED N#Cc1cc(N[C@@H]2CCOC2)ccc1Oc1ccccc1 189947970 GLWZCRUKIYAOKV-OAHLLOKOSA-N 280.327 3.551 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C(C)=O)c(C)c1 191188671 QVCLYMJKNFUWPX-MRXNPFEDSA-N 259.349 3.738 30 20 CHED O=C(/C=C/c1ccccc1C(F)(F)F)c1ccncc1 192761879 SKXBOXHPROTOQK-AATRIKPKSA-N 277.245 3.997 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(CC)CCC1 193045247 VZSLPJQPVFBYHZ-UHFFFAOYSA-N 263.406 3.843 30 20 CHED Oc1nc2ccccc2cc1/C=N/Cc1ccsc1 193334070 OGFRIUJWSOLAGR-CXUHLZMHSA-N 268.341 3.621 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H](C)CCC 194222152 BIMOQXMUZXPCGI-CYBMUJFWSA-N 263.356 3.777 30 20 CHED CC(C)CCC(=O)Nc1ccc(C#N)cc1Cl 225783164 OAAZDDNBWIOJQL-UHFFFAOYSA-N 250.729 3.586 30 20 CHED CS[C@@H]1CCC[C@H](Nc2c(F)cc(C#N)cc2F)C1 227358440 KSGDDVAQHNLAFL-WDEREUQCSA-N 282.359 3.923 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 233817625 HUWAJHOZACFYLD-JSGCOSHPSA-N 291.376 3.553 30 20 CHED Cc1ccsc1CN(C)c1cccc(F)c1C#N 253598494 CIOCASCDNXMIJF-UHFFFAOYSA-N 260.337 3.704 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cn(C)nc1-c1cccs1 255118885 VSODNJWQPKGHMS-WAYWQWQTSA-N 298.367 3.946 30 20 CHED O=C1/C(=C/c2cccnc2Cl)Cc2ccc(F)cc21 255156525 BMSJNUQWIUTRSE-YRNVUSSQSA-N 273.694 3.697 30 20 CHED CCc1ccc(C(=O)/C=C\c2cc(C#N)cs2)o1 255374574 SECRFGFGSJYAHA-PLNGDYQASA-N 257.314 3.671 30 20 CHED N#Cc1cccc(NC[C@@H]2CCCO[C@H]2c2ccccc2)n1 265486319 FHKSKMDOLRGRIN-YJBOKZPZSA-N 293.370 3.533 30 20 CHED CC(C)C[C@H](C)CC(=O)N(C)c1ccc(C#N)cc1 269676155 MDPCGSDMUKGSFO-ZDUSSCGKSA-N 258.365 3.593 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1OC(C)C)OCC 270038032 NJQAWGYUNZFROO-INIZCTEOSA-N 291.391 3.784 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 276842208 CDUUNFKZPZSEBR-ZDEQEGDKSA-N 264.417 3.570 30 20 CHED CC#CC(=O)N1CCC[C@@H]1c1cccc2ccccc12 277625926 IXMYIZMKAWPISJ-QGZVFWFLSA-N 263.340 3.527 30 20 CHED CC(C)(C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)c2ccccc21 277815342 IWSHYNFHKRUQQB-AWEZNQCLSA-N 293.370 3.676 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(C(F)(F)F)c1 278214660 IJUCIZBDLVYVPO-UHFFFAOYSA-N 270.254 3.584 30 20 CHED CC(C)c1cccc(N(C)C(=O)CC(C)(C)C#N)c1 278292782 RNCCSZZNGQASJB-UHFFFAOYSA-N 258.365 3.713 30 20 CHED CC[C@H](NCc1ccc(C)nc1)c1ccc(C#N)cc1 278349374 YXJZYLKHKPZWSG-KRWDZBQOSA-N 265.360 3.503 30 20 CHED C#CCCCC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 278604884 COTUNHCVZCVFEC-RDJZCZTQSA-N 269.388 3.503 30 20 CHED C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 278906564 ZTTSEUFKLOPZBY-IOASZLSFSA-N 260.356 3.601 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/Cc2cc(F)ccc2C1=O 280851829 ACIDETABHFUKMD-QPEQYQDCSA-N 284.334 3.734 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2nccc(C)c2c1 285088086 ILXPJXQHSOXLIJ-UHFFFAOYSA-N 268.360 3.581 30 20 CHED CC[C@H](NCCC(C)(C)C#N)c1ccc(OC)c(OC)c1 285371622 FYMBFXPHWYJRRA-AWEZNQCLSA-N 290.407 3.684 30 20 CHED C=CCC[C@H](NCc1ccc2c(c1)OCCO2)c1ccco1 285775530 TUSKEUDTFKWYBK-HNNXBMFYSA-N 299.370 3.848 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@](C)(CCc2ccccc2)C1 287258889 BYSGOIVJDNBFBM-RBUKOAKNSA-N 298.430 3.798 30 20 CHED CCc1ccc2nccc(N3CCC(C#N)CC3)c2c1 295638439 YCDULIXWSXRARB-UHFFFAOYSA-N 265.360 3.537 30 20 CHED CCc1nc(C)c(CNc2cccc(Cl)c2C#N)o1 295708961 RHULISUOOOIFOC-UHFFFAOYSA-N 275.739 3.683 30 20 CHED N#C[C@@H]1CC[C@H](N2CCc3c(Cl)cc(F)cc3C2)C1 295763023 RTYYHMIANWWXKU-MFKMUULPSA-N 278.758 3.529 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(F)c(F)c1F 297803824 JEHCQLSUHHJXRS-UHFFFAOYSA-N 257.255 3.645 30 20 CHED CCN(CCc1cccs1)C(=O)c1cccc(CC#N)c1 298608293 JADBUDCBILCYEG-UHFFFAOYSA-N 298.411 3.519 30 20 CHED COc1ccc(F)cc1[C@@H](C)Nc1ccc(C#N)cc1 301118762 ZASTUXBYMCYUIU-LLVKDONJSA-N 270.307 3.879 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccccc1 301416333 AZQGGNSQWSWJBL-SJKOYZFVSA-N 293.326 3.664 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2CCCc2ccccc2)nc1 301715106 WWOFBDFXTCDMNA-SFHVURJKSA-N 291.398 3.945 30 20 CHED CC[C@@]1(C)CN(c2cc(C#N)ccc2C(F)(F)F)CCO1 302687386 UIBNNZFPOWRYLI-AWEZNQCLSA-N 298.308 3.582 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1ccc(C#N)cc1 302735353 GQXWHMAGDYKJJI-CQSZACIVSA-N 250.345 3.751 30 20 CHED CCc1nc(C#N)cc(Sc2ccccc2Cl)n1 308280495 JQYRSACDNNZIKY-UHFFFAOYSA-N 275.764 3.715 30 20 CHED C[C@H](NCCCOCc1ccccc1)c1ccc(C#N)cc1 309871348 RFUSZNRTRANBAC-INIZCTEOSA-N 294.398 3.816 30 20 CHED CC[C@@H]1CC[C@@H](C)N(Cc2ccc(F)c(C#N)c2)C1 312001389 PTRWJVWLRYJABN-CHWSQXEVSA-N 260.356 3.708 30 20 CHED COc1ccc(C(C)=O)cc1OCCCC(C)(C)C#N 312610360 UQPQYHCPDRLXGH-UHFFFAOYSA-N 275.348 3.607 30 20 CHED CC1(C)SC[C@@H]1/N=C(/O)Nc1nc(C2CCC2)cs1 328758736 WDWWJBKDAUUXOX-JTQLQIEISA-N 297.449 3.631 30 20 CHED O/C(=N/CC1CCCCC1)Nc1ccc2c(c1)COC2 329088657 VTQHCNSTDODFEZ-UHFFFAOYSA-N 274.364 3.623 30 20 CHED Cc1cnc(N=C(O)[C@@H](C)OC2CCCCCC2)o1 329895396 BUUARGMWZLYTMG-LLVKDONJSA-N 266.341 3.699 30 20 CHED Cc1cc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c(C#N)cc1N(C)C 331250178 ZAKDGGORLJKQAG-TZMCWYRMSA-N 299.418 3.698 30 20 CHED CC(C)(C)c1cnc(N/C(O)=N/C[C@@H]2CCSC2)s1 331324376 NLAKORRXQLPBLQ-VIFPVBQESA-N 299.465 3.520 30 20 CHED Cn1c(C#N)ccc1-c1nc(C2CCC(C)(C)CC2)no1 331611536 RQXIVQCSSORHIK-UHFFFAOYSA-N 284.363 3.631 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 333556005 NKAPRSZEAVNYJA-CKEIUWERSA-N 274.408 3.545 30 20 CHED CSc1c(F)cccc1C(=O)Nc1ccccc1C#N 336503348 CMRCUGVMVBMHJM-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C#N)cc2)C1 336520885 KQOVVBFLCGBSJU-KSSFIOAISA-N 277.371 3.536 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccn2)c1 336603830 GUKUUPKFSQGFFY-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1cc([C@@H](C)N=c2ccc(C#N)c(C)[nH]2)c(C)s1 336813323 UEUYCUISKNHGFX-LLVKDONJSA-N 271.389 3.535 30 20 CHED C=CCCCN(C)Cc1ccc(O)c2nc(C)ccc12 338306545 LVKQIBUCDAWPLC-UHFFFAOYSA-N 270.376 3.647 30 20 CHED CC[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N 338395750 WVAIHELKCLROCB-OAHLLOKOSA-N 267.376 3.575 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2ccc(F)cc2C#N)c1 338397214 SYIDUIKFTNADTB-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(-n2ccnc2)cc1 343502885 KYFLZDHVTUBOQX-GDBMZVCRSA-N 269.392 3.878 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 343842537 SWWCRYWURZKXAN-CQSZACIVSA-N 280.371 3.612 30 20 CHED CC(=O)c1ccc(C#N)c(NCC23CCC(CC2)C3)c1 347425132 ZOMVWYQOAWVAPD-UHFFFAOYSA-N 268.360 3.753 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CCCn1cccc1 352197321 PRVMVUURAZNZAX-UHFFFAOYSA-N 296.414 3.873 30 20 CHED N#CCCNCc1ccc(-c2ccccc2F)s1 352900051 KVZBHTBBKZMVNT-UHFFFAOYSA-N 260.337 3.557 30 20 CHED C=CCCCCCN1CCCC[C@@H]1c1nc(C)no1 353544743 QJCKQUAVLPJONF-CQSZACIVSA-N 263.385 3.651 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCC1(CC#N)CC1 355845686 NDPMQXMTDBGSAM-ZIAGYGMSSA-N 291.439 3.536 30 20 CHED N#CCCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 360040054 WOOPWDYHUFUCGP-CQSZACIVSA-N 276.767 3.697 30 20 CHED C=C1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)CC1 361156939 ZRUPSCLBHGYBSG-ZDUSSCGKSA-N 269.344 3.715 30 20 CHED C=C[C@@H](C)NC(=O)c1sc(C2CC2)nc1-c1ccccc1 361314752 GSJBTZBCMQVERO-LLVKDONJSA-N 298.411 3.992 30 20 CHED CC(C)CN(C(=O)CC1CCC1)c1ccc(C#N)cc1 361680954 FKLNNHZBUFDUHO-UHFFFAOYSA-N 270.376 3.737 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 373893762 TYBADCNEXQRGTK-QAQDUYKDSA-N 269.388 3.817 30 20 CHED Cc1ccc(C(=O)N2CCCC23CCCCC3)cc1C#N 374074032 HDMNVMQBLDLWTG-UHFFFAOYSA-N 282.387 3.806 30 20 CHED C[C@H](CNc1cccc(F)c1C#N)CC(F)(F)F 396984626 YBVDWCRTUVRVAL-QMMMGPOBSA-N 260.234 3.698 30 20 CHED N#CCc1ccc(Cn2cc(-c3ccccc3)cn2)cc1 399120362 OUBWDOKSKUJLGN-UHFFFAOYSA-N 273.339 3.664 30 20 CHED C[C@H](CCc1ccccc1)NCc1ccc(C#N)c(F)c1 404146725 PZXIKNMMYRPVCY-CQSZACIVSA-N 282.362 3.808 30 20 CHED C[C@H](C(=O)N(C)c1cc(Cl)ccc1C#N)C1CCC1 410560010 UDWJCKSFBFYYIX-JTQLQIEISA-N 276.767 3.611 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CSc1ccc(Cl)cc1 410827937 MIWKYLNINDXTJQ-LBPRGKRZSA-N 296.823 3.583 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)C1CCC1 410961683 BAANRNNZUIFFAB-SNVBAGLBSA-N 276.767 3.781 30 20 CHED N#CC1(CCN2CCC([C@@H]3CCCO3)CC2)CCCCC1 411601391 AFZMAWQTKYOWBL-KRWDZBQOSA-N 290.451 3.742 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2C[C@H]2c2cccc(OC)c2)CC1 412881921 KUETZLFOQWNPMJ-RDJZCZTQSA-N 299.414 3.661 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC)CC(=C)C 413813123 CTXHHZIPTKFRMA-KRWDZBQOSA-N 286.419 3.781 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2F)c(Cl)c1 416922246 OPTKPKJNIOSZFB-DGCLKSJQSA-N 295.745 3.614 30 20 CHED N#Cc1cncc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)n1 420586598 OXXLTPUBOAVOCW-MRXNPFEDSA-N 298.777 3.955 30 20 CHED C=C1CCN(c2nc(C3CCCCC3)ns2)CC1 420604028 RHIDETUZIUKIRL-UHFFFAOYSA-N 263.410 3.742 30 20 CHED C=C(C)[C@H](NC(=O)[C@]12CCC[C@@H]1C2)c1ccc(F)c(F)c1 421532167 PQMNPAUAPIMREP-PVUWLOKVSA-N 291.341 3.888 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(OC2CCCCC2)CC1 424630185 PNACNPRARLIIMM-UHFFFAOYSA-N 293.451 3.929 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C#N)s1 425364431 GLXHWAWDTNHTPB-GFCCVEGCSA-N 281.384 3.684 30 20 CHED CCC[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 425392612 BLRJFJJWIYIOCY-NUEKZKHPSA-N 285.391 3.519 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(C)(C)C1CCC1 425630723 AGSYLOHWUOYUGR-CYBMUJFWSA-N 284.403 3.904 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc[nH]c1C 426272965 BSMLCRHLFOXEHE-UHFFFAOYSA-N 260.381 3.532 30 20 CHED COc1ccc(OCc2cccc(F)c2C#N)cc1C 427518785 IUAORYQQJZZBRM-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CCO[C@@H](CC(=O)Nc1ccc(C#N)cc1Cl)C(C)C 430370585 UIVKQYOGYCUVEM-AWEZNQCLSA-N 294.782 3.601 30 20 CHED C=CCCC1(c2nc(-c3ccc(O)cc3F)no2)CC1 436873560 NHHJVPOHFRDRGU-UHFFFAOYSA-N 274.295 3.579 30 20 CHED CC1=C(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC1 437270948 VEOVNNRAEPFDSS-UHFFFAOYSA-N 268.360 3.927 30 20 CHED COc1cc(CNc2cnc3ccccc3c2)ccc1C#N 440623800 LQTDPRTWRGHVIJ-UHFFFAOYSA-N 289.338 3.727 30 20 CHED Cc1cc(NC(=O)Nc2cccc(C#N)c2C)cc(C)c1O 443589522 GLYHKFKDCGFNEU-UHFFFAOYSA-N 295.342 3.833 30 20 CHED CCOc1ccccc1NC1CCC(C)(C#N)CC1 449039600 CEVRNWKQWDNXSH-UHFFFAOYSA-N 258.365 3.970 30 20 CHED C=CCN1CCC(N[C@@H]2CCCC23CCCCC3)CC1 449122462 LNQCEGBQOZOBOC-QGZVFWFLSA-N 276.468 3.729 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CC(C)(C)OC)CCCCC1 449952723 WVIPRJFBXSTJDF-AWEZNQCLSA-N 281.440 3.833 30 20 CHED Cc1nc(C)c(C#N)c(SC[C@H]2CCCCC2(F)F)n1 450778789 MJIFSXXMHGBAIC-LLVKDONJSA-N 297.374 3.883 30 20 CHED CSc1ccccc1[C@@H](C)NCC1(C#N)CCC1 450928916 STENLEITFBGXIN-GFCCVEGCSA-N 260.406 3.753 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(F)cc1C 451968647 JEALJNPKPJRTKM-NVXWUHKLSA-N 277.383 3.598 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 452561892 MJHAIRHCVTWMQU-KBMXLJTQSA-N 276.424 3.791 30 20 CHED C=CC(C)(C)CNC(=O)c1cccc(Cl)c1C 452774020 JQEPXRGYCPRLRP-UHFFFAOYSA-N 251.757 3.590 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1ccc(F)cc1F 453340641 HVZLPYOUVACNKW-XHSDSOJGSA-N 281.346 3.739 30 20 CHED N#CCCCNC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 454794355 VDHQYDJUSXDOLU-MRXNPFEDSA-N 297.402 3.617 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)C[C@H]1C 455910149 TXQXCVWDVIXJOZ-IOASZLSFSA-N 285.391 3.699 30 20 CHED C=CCN(C)C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 456028875 TWJLIVUDIWXPQT-JTQLQIEISA-N 271.282 3.610 30 20 CHED C=CCC[C@@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 457994129 NXZQCWXEBCMGOG-MRXNPFEDSA-N 284.403 3.792 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccccc1)C(C)C 464525623 HNQCCTWWRZPMED-QGZVFWFLSA-N 257.377 3.694 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 464722519 GWWPEUFEWJVWAR-UHFFFAOYSA-N 288.347 3.864 30 20 CHED CC[C@H](C)C[C@@H](CC)NCCc1cccc(C#N)c1 467429825 NQCVMUWSXCYETE-WMLDXEAASA-N 258.409 3.905 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCC1CC(OC(C)(C)C)C1 469986253 WKFBJYCDKFUBHU-KVULBXGLSA-N 281.440 3.689 30 20 CHED C=CCCCCNC(=O)N(CCC)Cc1ccccc1 472857233 WFFFRPBGKVXUOI-UHFFFAOYSA-N 274.408 3.965 30 20 CHED C=CCCCCNC(=O)Nc1ccc(F)cc1C 473497025 PWFZIWIMJZWTCM-UHFFFAOYSA-N 250.317 3.612 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)cc2C#N)cc1F 478937660 NXPQTJXPKHONGE-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C=CCN(CCC(=O)c1ccc(C)cc1)CCc1ccco1 481029079 ZCXWDVAYRAFZHF-UHFFFAOYSA-N 297.398 3.892 30 20 CHED C=C(C)CN(C)Cc1c(Cl)ccc2cccnc12 481205900 DIHKHCCZAMOVAR-UHFFFAOYSA-N 260.768 3.896 30 20 CHED N#Cc1cc2c(nc1NC[C@@H]1CCC(F)(F)C1)CCCC2 485412586 STUOLHQMOBOBSR-LLVKDONJSA-N 291.345 3.679 30 20 CHED C=C[C@@H]1CCCCN1c1nc(-c2ccccc2)ns1 486466034 HEPATZVINGXKTN-CYBMUJFWSA-N 271.389 3.750 30 20 CHED Cc1nc(N2CC[C@@H](C)C[C@@H]2c2ccco2)ccc1C#N 488065125 BRPGITMXKNYYBH-IUODEOHRSA-N 281.359 3.832 30 20 CHED COc1ccccc1[C@H]1CCCN1c1ccc(C#N)c(C)n1 488126748 NRLXEMCJWOIDBT-MRXNPFEDSA-N 293.370 3.612 30 20 CHED C=CC[C@@H](C(=O)N(C)CC(C)(C)C)c1ccccc1 488392696 QXXOHRBXZQQKFF-OAHLLOKOSA-N 259.393 3.851 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)[C@@H](C)CC#N 488730533 IAOMWXZFJMNEEE-ILXRZTDVSA-N 284.403 3.737 30 20 CHED C=CCC(C)(C)CNC(=O)COc1ccc(F)c(Cl)c1 490082113 CTHGXHNOSYWNDI-UHFFFAOYSA-N 299.773 3.576 30 20 CHED C#C[C@@H](C)N(C)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 491671153 WLKVVMARNMSAFP-VXGBXAGGSA-N 297.320 3.679 30 20 CHED C#C[C@H](CC)NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 491754964 WVNONAWUYQONIJ-TZMCWYRMSA-N 284.359 3.547 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@@H](C)c1cccc(C)c1 495229849 CILZSNIBJWHGMM-WBVHZDCISA-N 286.419 3.849 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(C)c2ccccc2C#N)C1 503603771 XMQYWNGSWPTSRZ-NHAGDIPZSA-N 270.376 3.593 30 20 CHED C=CCNC(=O)NCC(C)(C)CCCc1ccccc1 506298617 BWABSBCRGIYDQM-UHFFFAOYSA-N 274.408 3.521 30 20 CHED C=CCN(CC=C)C(=O)NCC[C@H]1CCCC[C@@H]1C 512846902 RRYOGEMRUSDCSE-LSDHHAIUSA-N 264.413 3.586 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)NCC(C)(C)CCC#N 513146122 BWNSZNPANODIQR-LSDHHAIUSA-N 293.455 3.927 30 20 CHED CC[C@H](c1ccccc1OC)N(C)c1nccc(C)c1C#N 515474665 YUOJUJNDTWCHHF-MRXNPFEDSA-N 295.386 3.858 30 20 CHED CC(C)c1ccc(C(=O)NCCc2cccc(C#N)c2)s1 515680229 JSJLLOAISZXNJB-UHFFFAOYSA-N 298.411 3.716 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 522975499 BLLUARSVZDBMPT-JTQLQIEISA-N 285.347 3.515 30 20 CHED C[C@H]1CCC[C@H](C)N(Cc2ccc(C#N)cc2F)C1 525122486 HJCVALJTGHCWBG-STQMWFEESA-N 260.356 3.708 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 525706900 CVZJBPPEURUJEQ-GOEBONIOSA-N 293.326 3.510 30 20 CHED CCOCc1ccc(-c2noc(C(C#N)(CC)CC)n2)cc1 528108448 OGOPWWWFQKYHPP-UHFFFAOYSA-N 299.374 3.854 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC(F)(F)C[C@@H]2C)c1 529116739 KZAPEEVXZCFSIA-NSHDSACASA-N 293.317 3.518 30 20 CHED CC#CCNC(=O)N(CCC)[C@@H](CC)c1ccccc1 536460149 RKNKTHGSKKMPDO-INIZCTEOSA-N 272.392 3.583 30 20 CHED CC1(CNC(=O)c2ccc(CC#N)cc2)CCCCCC1 537342206 FETDUVRROFWROU-UHFFFAOYSA-N 284.403 3.843 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)CO2 538507182 LNMGCGDJYHYRLX-SJKOYZFVSA-N 296.345 3.790 30 20 CHED CCc1cnccc1[C@H](C)NCC#Cc1ccc(Cl)cc1 541193293 GIROIWVVRVJWLZ-AWEZNQCLSA-N 298.817 4.000 30 20 CHED Cc1cccc(-c2noc(-c3ccc(CC#N)cc3)n2)c1 544901651 HLGWFMNKYFCJDV-UHFFFAOYSA-N 275.311 3.778 30 20 CHED N#Cc1ccccc1SCc1ccc(Cl)cn1 554176377 CETRANPXRLHLHV-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NC[C@H](C)C#N 556838604 LULTVMRDQPOOPI-GBRKPNRJSA-N 290.451 3.895 30 20 CHED C[C@H]1COCC[C@H]1CNc1ccc(C(F)(F)F)cc1C#N 557719215 RNDTWUIGWVVPHJ-QWRGUYRKSA-N 298.308 3.662 30 20 CHED N#CC1(CN[C@H](c2ccccc2)C(F)(F)F)CCC1 560207809 LRKBEFXOYXLEAY-GFCCVEGCSA-N 268.282 3.573 30 20 CHED CC#CCCCC(=O)N1CCC(C)(C)c2ccccc21 564236005 DDWSGRLGGNBDSF-UHFFFAOYSA-N 269.388 3.895 30 20 CHED Cc1sc(NC(=O)C2CC3(CCC3)C2)c(C#N)c1C 566915485 IPQKPOJVLDBZLQ-UHFFFAOYSA-N 274.389 3.755 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2cccc(Cl)c2Cl)C1 572693460 MSRXPWGKJKPDSM-MWLCHTKSSA-N 269.175 3.775 30 20 CHED N#CCCCCCC(=O)Nc1cccc2cc[nH]c12 588164388 LVCGGXFKUNFYKW-UHFFFAOYSA-N 255.321 3.580 30 20 CHED CC(C)Cc1ccc(C(=O)NCC(C)(C)CCC#N)cc1 588178244 XZFFTVVLPATXJU-UHFFFAOYSA-N 286.419 3.945 30 20 CHED COc1cccc(/C=C\C(=O)c2cccs2)c1F 588619147 YGEWECAGQUBZIQ-FPLPWBNLSA-N 262.305 3.792 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCC1CC1 589706842 IBFCEBNXOSLOFO-ZWKOTPCHSA-N 296.414 3.865 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Oc2cccc(C(C)C)c2)CC1 591092390 KWCJGWGGZVQUDW-OAHLLOKOSA-N 287.403 3.756 30 20 CHED CO[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)CC(C)C 591348213 KJTOXGMCCAQGAY-WMZOPIPTSA-N 286.419 3.586 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1c(F)cccc1Cl 592246313 ZVIPQMAFOLJYFN-UHFFFAOYSA-N 297.761 3.931 30 20 CHED Cc1cc(SCc2ncnn2C(C)(C)C)ccc1C#N 592355524 QBERMYKZGDQFLE-UHFFFAOYSA-N 286.404 3.506 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 593403466 TUDBURFYAJWXIG-LLVKDONJSA-N 294.782 3.863 30 20 CHED CC[C@@H](C#N)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 593437229 OYPBYKLRWDOZFV-VIFPVBQESA-N 299.201 3.894 30 20 CHED N#CCCCCC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 593987030 DDEBAFSXRVOFPG-RYUDHWBXSA-N 290.329 3.555 30 20 CHED CCN(CCC#N)C(=O)CCc1c(Cl)cccc1Cl 594243392 DGJVTRMGIYMWQW-UHFFFAOYSA-N 299.201 3.688 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCC[C@@H](C3CC3)C2)cc1 595056246 SKXMGJZTPHYOJB-QZTJIDSGSA-N 268.404 3.659 30 20 CHED CC1(C)CN(c2nc3ncccc3cc2C#N)[C@H]2CCC[C@H]21 596247020 KQIGEFZPCUNOJL-CABCVRRESA-N 292.386 3.516 30 20 CHED CC(C)(CCC#N)CN1CCC[C@@H]([C@H]2CCCCO2)C1 597225640 RSUWKYSISXLIRD-HZPDHXFCSA-N 278.440 3.597 30 20 CHED C=CCCSCCNC(=O)[C@H](SC)c1ccccc1 597968206 OZPRQNROSJTOGR-CQSZACIVSA-N 295.473 3.516 30 20 CHED C=CCCSCCNC(=O)c1sccc1SC 597971839 IOLHIOUZJPCCLD-UHFFFAOYSA-N 287.475 3.509 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C[C@H](O)CC(C)(C)C#N 598587622 SUFFMTULGBUXQO-SJORKVTESA-N 288.435 3.760 30 20 CHED N#CC1(C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)CCC1 600801460 HZOOYEUUUNGZTK-CQSZACIVSA-N 288.778 3.527 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc(Cl)cc(Cl)c1F 601025711 DTOYVVXNIAFGSJ-MRVPVSSYSA-N 289.137 3.555 30 20 CHED N#C[C@H]1CC[C@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 601284019 CPMFVHYYMQJMQN-QMCVQRASSA-N 254.377 3.605 30 20 CHED COc1ccc(NC(=O)C2(C#N)CCCC2)c2ccccc12 602389856 FPKVKABPVAKYQX-UHFFFAOYSA-N 294.354 3.871 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)Nc1ccc(CC#N)cc1 602613779 QAPBSMWZUNPADD-KDOFPFPSSA-N 280.371 3.941 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C#N)CC(C)C 609701646 SUZCVVFBQQQIMC-LSDHHAIUSA-N 272.392 3.543 30 20 CHED Cc1cccc2c(N3CC[C@@H](C)[C@H]3C)c(C#N)cnc12 610588361 GBDKIPGMTMVKIT-DGCLKSJQSA-N 265.360 3.650 30 20 CHED Cc1noc([C@@H](C)Sc2ccc(Cl)cc2C#N)n1 610655204 UUMWWJLDEKVFOL-SSDOTTSWSA-N 279.752 3.756 30 20 CHED CC[C@@H]1CCN(c2c(C#N)cnc3c(C)cccc23)C1 610677950 RIVALUWLTOWRBU-CYBMUJFWSA-N 265.360 3.651 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 612303689 WVEHJKXHWUZCOV-OAHLLOKOSA-N 293.317 3.782 30 20 CHED C[C@H](CCc1cccc(F)c1)N1CCC[C@@](C)(C#N)C1 612406525 ORYQMIJHASHGSW-PBHICJAKSA-N 274.383 3.772 30 20 CHED N#C[C@@H](Cc1ccccc1)Nc1cccc2cc[nH]c12 614034637 CMBODLCVZMFSSI-OAHLLOKOSA-N 261.328 3.715 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 618795106 BHDMWWVDTGKEGI-KHYOSLBOSA-N 294.398 3.985 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2cc(F)ccc12)C(C)(C)C 622943642 LFXGSPROJZWQCD-UHFFFAOYSA-N 288.366 3.663 30 20 CHED C=C[C@](C)(CCOC)c1nc(C2C(C)(C)C2(C)C)no1 624743429 FGESVMWULILKJT-MRXNPFEDSA-N 278.396 3.699 30 20 CHED C=CCOc1c(Cl)cc(CN(C)C2CCC2)cc1OC 628177793 ODWNPZZYTZLOCB-UHFFFAOYSA-N 295.810 3.898 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(cnn2C(F)F)c1 644683054 DLOOSRKAMIXEJV-UHFFFAOYSA-N 293.317 3.972 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@](O)(C(F)(F)F)C1 658021640 UUXWZAPJKVAYRY-ZOBORPQBSA-N 291.357 3.557 30 20 CHED C=CCC[C@H](CC)N[C@@H](COC)c1cccc(OC)c1 658162231 CSFVUCSBWWZCOV-RDJZCZTQSA-N 277.408 3.717 30 20 CHED C=CCCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 660708197 NHQSFPQMFWAHPR-SNVBAGLBSA-N 263.772 3.785 30 20 CHED C=CCN(C(=O)Nc1cccc(C(C)C)c1)[C@H](C)COC 665262921 BYFUWDCDBKBVDB-CQSZACIVSA-N 290.407 3.865 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)c3c[nH]nc3c2)C1 666482840 PBQHRSCCLLWRQM-CYBMUJFWSA-N 298.390 3.691 30 20 CHED C=CCC1(NC(=O)Nc2ccc(F)c(OC)c2)CCCC1 666829021 HOEZDGJFGZHOPL-UHFFFAOYSA-N 292.354 3.845 30 20 CHED C=C(C)CN(C)C(=O)Nc1nc(C(C)C)c(C)s1 667367672 UBUGTHDCEWVTLJ-UHFFFAOYSA-N 267.398 3.615 30 20 CHED C=C(CNC(=O)[C@@H](C)Cc1ccccc1F)c1ccccc1 672479317 LLOCTWOAICWXDI-AWEZNQCLSA-N 297.373 3.834 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(OC)c(C)c2)no1 685286601 QQDFYERCKIOHLT-UHFFFAOYSA-N 295.342 3.708 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N(CC)C(C)C 685543459 ZBBCGDZRVHUKRY-UHFFFAOYSA-N 284.407 3.674 30 20 CHED C[C@H](C1CC1)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 726457602 OTKFWPDPFLLPQX-SECBINFHSA-N 293.823 3.639 30 20 CHED C#Cc1cccc(NC(=O)/C=C(/C)c2ccccc2OC)c1 727301786 ZRYGIDJKINGKMQ-OWBHPGMISA-N 291.350 3.719 30 20 CHED C[C@H](C#N)OC(=O)c1csc(-c2ccccc2Cl)n1 727563967 WMMWDYAEECMIBO-MRVPVSSYSA-N 292.747 3.532 30 20 CHED CC(=NNCCCOc1ccccc1)c1cccc(F)c1 729149512 LGNCQTGQSUYALK-UHFFFAOYSA-N 286.350 3.608 30 20 CHED CCCCCOC(=O)c1cc2ccccc2n1CC#N 729766443 IIXMJCJUTUKIGV-UHFFFAOYSA-N 270.332 3.512 30 20 CHED CC(C)n1cc(C=NNc2ccc(Cl)cc2)cn1 732710455 OFIFVTHGNGIPLY-UHFFFAOYSA-N 262.744 3.563 30 20 CHED Clc1ccc(C=NNc2cnnc3ccccc23)cc1 733750165 OJIUIVMXQHQOHZ-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C[C@@](C#N)(NC(=O)/C=C\c1ccccc1)C1CCCCC1 734239484 DQXSLGUCSCAKCH-SQVRQVGWSA-N 282.387 3.679 30 20 CHED C=CCCCOC(=O)c1cc2cc(Cl)ccc2[nH]1 735527261 GVJVABMNPFXNIH-UHFFFAOYSA-N 263.724 3.944 30 20 CHED Cc1cc([C@@H]2CCCN2c2cc(Cl)ccc2C#N)no1 736283749 AFFCYJZSUHCOID-AWEZNQCLSA-N 287.750 3.850 30 20 CHED Cc1nc(C)c(C=NNc2ccc(OC(F)F)cc2)s1 736430925 NRVSOBSLXMUTIS-UHFFFAOYSA-N 297.330 3.807 30 20 CHED COc1ccc(OC)c(C=NOCc2c(C)cccc2C)c1 738288016 BOQHGASYPRCFGS-UHFFFAOYSA-N 299.370 3.871 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C)C(=O)OCCCC 741782123 OYJHXFDCQPJVDM-CQSZACIVSA-N 293.382 3.546 30 20 CHED Cc1ccccc1CON=Cc1c(C)nc2sccn12 742360083 VAGLQQNOFBJISP-UHFFFAOYSA-N 285.372 3.563 30 20 CHED C=CCCC(=NNC(=S)Nc1ccccc1)C1CC1 747740227 ICHNEYSCWHWOAH-UHFFFAOYSA-N 273.405 3.705 30 20 CHED Fc1ccc(/C=C/C=Nn2cnc3ccccc32)cc1 747752035 URMKMJXMURFBNU-KMMPQYOHSA-N 265.291 3.723 30 20 CHED Fc1ccc(NN=C2CCc3ccc(F)cc32)cc1 748779032 RKQQRRYEQNEJIQ-UHFFFAOYSA-N 258.271 3.727 30 20 CHED COc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1F 749744900 BJOXONLKGZPERI-VIZOYTHASA-N 288.249 3.590 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccccc1C1CC1 751127258 JZPSXWFOLYAWQI-UHFFFAOYSA-N 281.315 3.918 30 20 CHED Cc1ccc([C@@H](C)NCCOc2ccccc2C#N)s1 754671029 XYQALMPDPJUKIE-CYBMUJFWSA-N 286.400 3.658 30 20 CHED C=CCc1cc(CN(C)CC(C)(C)C)c(O)c(OC)c1 754731477 GAFXIPRUVFQOJQ-UHFFFAOYSA-N 277.408 3.607 30 20 CHED C[C@H](C=NN=c1cc[nH]c2ccccc12)c1ccc(F)cc1 756890132 RSBHZHPVELMHTO-CYBMUJFWSA-N 293.345 3.997 30 20 CHED Cc1nc(C#N)c(NN=C[C@H](C)CC2CCCCC2)o1 758114322 ZVSLOXHIRSRSQH-LLVKDONJSA-N 274.368 3.859 30 20 CHED CCCCCC[C@H](C)NC(=O)c1ccc(CC#N)cc1 758218488 XPAWUWYCVAWQPS-AWEZNQCLSA-N 272.392 3.841 30 20 CHED Fc1ccc(NN=Cc2cc3ccccc3s2)nc1 758370259 NBMLRIDFYCZQRD-UHFFFAOYSA-N 271.320 3.881 30 20 CHED Cc1cc(C=NNc2cccc([N+](=O)[O-])c2)c(C)s1 760224523 CORQEPSBDDYJCY-UHFFFAOYSA-N 275.333 3.719 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(C=C)cc1)c1ccccc1 760471668 MRYQGDFWILMSBM-GOSISDBHSA-N 275.351 3.824 30 20 CHED CC(C)CC1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 760940519 GTXDNJXIEAJLAX-FPLPWBNLSA-N 296.414 3.856 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1C[C@@]12CCOC2 763509538 IMSQWFRTBAOXAW-NVXWUHKLSA-N 281.440 3.670 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1ccccc1F 764779090 NYXDAOZVHUMVHP-UHFFFAOYSA-N 293.345 3.888 30 20 CHED Cc1cc(OC(=O)[C@H](C)c2cccs2)ccc1C#N 765114059 RHPBUBYMCBBQSQ-LLVKDONJSA-N 271.341 3.637 30 20 CHED Cc1cc(OC(=O)[C@H](C)c2ccccc2)ccc1C#N 765118690 VSBCECIXLUQLOG-CYBMUJFWSA-N 265.312 3.576 30 20 CHED C#CCCCCN[C@@H]1C[C@@H](c2ccccc2)C1(C)C 766328866 IOTOIZSXEWCXBF-DLBZAZTESA-N 255.405 3.962 30 20 CHED COc1ccc(CCNN=C2CC[C@H](C)[C@@H](C)C2)cc1 767377984 CXCGOBIYRFIKDJ-KBPBESRZSA-N 274.408 3.639 30 20 CHED FC(F)(F)C1CCC(C=NNC2CCCC2)CC1 767378712 UTNUEIPHJZHPNY-UHFFFAOYSA-N 262.319 3.873 30 20 CHED CCON=Cc1ccc(OCc2cccs2)c(OC)c1 767464914 VATRSESUVGPKCJ-UHFFFAOYSA-N 291.372 3.706 30 20 CHED CC#CCCCC(=O)OCc1coc(-c2cccs2)n1 767669947 AGSIZAQWUMUFIT-UHFFFAOYSA-N 289.356 3.640 30 20 CHED C(=NNc1ccccn1)c1cnc(C2CCCC2)s1 767760880 JSXVULVMZHCROE-UHFFFAOYSA-N 272.377 3.642 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)Cc1cnccn1 768515445 KZORBMWFHYIDAE-HUUCEWRRSA-N 263.429 3.746 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](F)c1ccccc1 769001937 AOLPUCCEZSDBIT-HNNXBMFYSA-N 268.291 3.516 30 20 CHED C[C@@H](C#N)CNN=C1CCC[C@H]1c1ccc(Cl)cc1 771098368 KOCBTRXHQOGDMQ-FZMZJTMJSA-N 275.783 3.713 30 20 CHED C[C@H]1CCN(Cc2ccc(OCC#N)cc2)CC12CCC2 771465805 VNNPKVIXDCTVHH-HNNXBMFYSA-N 284.403 3.601 30 20 CHED Cc1ccc2ncc(/C=C3\CCCC(C)(C)C3=O)n2c1 771858770 LCYYQEKIHLKCIK-UKTHLTGXSA-N 268.360 3.805 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCc2cc(F)ccc21 772987961 NGOJTXACCGCTOV-SFHVURJKSA-N 295.357 3.615 30 20 CHED C[C@H]1CC(=NNc2ccnc3cc(Cl)ccc23)CCO1 773187071 MDRFSFRJBYTUDW-JTQLQIEISA-N 289.766 3.855 30 20 CHED C=C(C)[C@@H](NC(=S)NCCCC)c1ccc(F)c(F)c1 774203404 BRYCUOHVQKUIEF-CQSZACIVSA-N 298.402 3.846 30 20 CHED CCC(CC)CNN=Cc1ccc(Oc2cnccn2)cc1 774461902 LQOWYDQFKQWQHH-UHFFFAOYSA-N 298.390 3.629 30 20 CHED C[C@@H](CC(=O)OCc1cccc(C#N)c1F)c1ccccc1 774876521 UPNKJBRBARUMCF-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED N#Cc1cccc(COC(=O)/C=C/c2cccc(F)c2)c1F 774882889 MFHWFDFMPXQJBN-BQYQJAHWSA-N 299.276 3.593 30 20 CHED C[C@@H](C(=O)OCc1ccc(CC#N)cc1)C1CCCC1 776110381 PELULOUUNKPJCF-CYBMUJFWSA-N 271.360 3.622 30 20 CHED CON=C1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 776764756 WUHDLHRMQDLJSC-LLVKDONJSA-N 257.255 3.975 30 20 CHED Cc1nc2scc(C)n2c1C=NOC1CCCCC1 777457592 XPYWZMGOSLFGIU-UHFFFAOYSA-N 277.393 3.696 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NOCCC(F)(F)F 777462797 MOBSZDARHHCLMQ-UHFFFAOYSA-N 299.296 3.840 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cccc(C)c1 777906640 DICLRUMQMDHEHQ-UHFFFAOYSA-N 259.740 3.880 30 20 CHED Cn1cc(C=NNc2cc(Cl)ccn2)c2ccccc21 777907248 QFUCBWCXRJHDJA-UHFFFAOYSA-N 284.750 3.673 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc3[nH]ncc3c2)o1 779820001 AELJKOGMOQMLGF-HZMBPMFUSA-N 280.331 3.725 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1c1cccc(OC)c1 780330962 KIRKALILVGRVAQ-SFHVURJKSA-N 299.414 3.942 30 20 CHED Cc1ccc(S[C@H](C(=O)NO)c2ccccc2)c(C)c1 782170636 HJXVACZYPKWHMZ-HNNXBMFYSA-N 287.384 3.642 30 20 CHED CCN(CC)C(=S)SCc1ccc(CC#N)cc1 783882681 COZDAFFHOMIXOM-UHFFFAOYSA-N 278.446 3.613 30 20 CHED C=CCCCC(=O)OCCSc1ccccc1 783982952 QYAMUQAIDCAWEY-UHFFFAOYSA-N 250.363 3.678 30 20 CHED CC(C)(C#N)CCCCNC(C)(C)C1CCOCC1 786160627 MLEHOEOPSVCJSV-UHFFFAOYSA-N 266.429 3.501 30 20 CHED CC(C)C(CCc1ccc(Cl)cc1)=NN[C@@H]1CCOC1 788440083 PRLMDTPGEFFPTN-OAHLLOKOSA-N 294.826 3.663 30 20 CHED COc1cccc(C=NNc2ccc(Cl)c(OC)c2)c1 788472260 QQSQSXKNTBMWLI-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CC(=NNc1nc(-c2ccccc2)cs1)c1coc(C)n1 788980324 GKGMAMRTVLFLCQ-UHFFFAOYSA-N 298.371 3.943 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2CCCC[C@H]2CC)c1 793414920 ZJGRCVVPHODMJW-NVXWUHKLSA-N 269.388 3.847 30 20 CHED Cc1ccc(C)c(NN=Cc2c(F)ccc(O)c2F)c1 794478921 ARFBVCKHOXURQD-UHFFFAOYSA-N 276.286 3.733 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNCCC(F)(F)F)C1 794553647 WSDKYNJHJHJQIK-GHMZBOCLSA-N 250.308 3.731 30 20 CHED C=CCN(CCC#N)Cc1ccc(SC(F)F)cc1 794746140 UPVSFFQWTTWJMR-UHFFFAOYSA-N 282.359 3.903 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CCC[C@@H]2CCF)o1 794899334 JPQAFYQLAQOAAK-LLVKDONJSA-N 292.358 3.672 30 20 CHED Cc1ccccc1-n1nccc1/C=C\C(=O)c1occc1C 794941693 VHWNLHGWOVTNPZ-FPLPWBNLSA-N 292.338 3.978 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@H](F)CC2CCCCC2)n1 796617370 BTQRUSZEGPWCGL-QWHCGFSZSA-N 294.395 3.936 30 20 CHED CCCCCCCN1CCCC[C@@H]1c1nc(C)no1 796667278 GHTQJCKDTHPNQE-CQSZACIVSA-N 265.401 3.875 30 20 CHED N#CCC1(COC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 797075044 SGHPURLXXPBISS-RRFJBIMHSA-N 275.392 3.830 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C(/C)C(C)(C)C 797172531 OCPHGQMZYFXJIJ-XFXZXTDPSA-N 285.391 3.921 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCC(F)(F)C1 797556200 NAJOTBBPKPRAPV-GFCCVEGCSA-N 261.356 3.899 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC)c(COCC)c1 798502658 UVUGTRWRKJSNSG-MRXNPFEDSA-N 277.408 3.676 30 20 CHED CCS[C@@H](C(=O)Oc1ccc(C#N)cc1CC)C(C)C 799444831 XRKUNVYVOZAQAN-OAHLLOKOSA-N 291.416 3.804 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(F)cc2O)c1F 799893032 WABOKEFMVWYQAS-YVMONPNESA-N 290.265 3.575 30 20 CHED CC/C(C)=C(\C)C(=O)NCc1ccc(C#N)c(Cl)c1 801071910 AWCYCVRJFFWFRM-ZHACJKMWSA-N 276.767 3.574 30 20 CHED CC#CC(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 801274769 NRLCDINGVLZDMD-UHFFFAOYSA-N 296.197 3.555 30 20 CHED C[C@@H](C#N)OCCSCc1ccc(F)c(Cl)c1 802751360 ITCGMEUESOPOAM-VIFPVBQESA-N 273.760 3.641 30 20 CHED C#C[C@@H](NC(=O)/C(=C/C)CC)c1ccc(Cl)cc1F 804423246 JWARWBRAOJOBQZ-LZTOIUFZSA-N 279.742 3.626 30 20 CHED CCC[C@H](Nc1cc(C#N)cc(C)n1)[C@@H](O)c1ccccc1 804680867 WSIHIZODZUSWAV-WMZOPIPTSA-N 295.386 3.576 30 20 CHED CCSCC(=NO[C@H]1CCCCO1)c1ccccc1 807981501 IQPMVPRKOXVTAB-HNNXBMFYSA-N 279.405 3.687 30 20 CHED C=C(Cl)CSc1nc2c(c(C)c1C#N)CCC2 808870986 XIWHWHMOEDGLDE-UHFFFAOYSA-N 264.781 3.595 30 20 CHED Cc1csc(NC(=O)/C=C/c2ccccc2F)c1C#N 809004621 DEJJJDOKQAHUDF-VOTSOKGWSA-N 286.331 3.719 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc(C)c(F)c2)no1 810277291 NKJFQZCBOLAGGU-UHFFFAOYSA-N 292.313 3.756 30 20 CHED C=CCCCCOC(=O)Cc1csc(-c2ccoc2)n1 811008882 NLIYFXXKXXICBF-UHFFFAOYSA-N 291.372 3.845 30 20 CHED Cc1cccc(NN=C2CCc3ccc(C#N)cc32)c1 811629631 ZEGGQKXUGHCRNC-UHFFFAOYSA-N 261.328 3.629 30 20 CHED Cc1ccc(NN=Cc2ncc(-c3ccccc3)s2)nc1 811640971 HTPPZENYOICZRH-UHFFFAOYSA-N 294.383 3.960 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc2c(c1)COC2 811691196 KADJTMNCKJBXLP-VOTSOKGWSA-N 293.297 3.624 30 20 CHED C=CCCCCCCCNc1ccc2nnc(C3CC3)n2n1 811848044 ODWOHZWZXNMALY-UHFFFAOYSA-N 299.422 3.940 30 20 CHED COc1ccc(F)cc1C=NNc1cccc(F)c1F 812226539 ORMRTURXFLAUPO-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C=CCc1ccc(OC(=O)CCCC2CC2)c(OC)c1 812832640 WWJIFJBCHZVTOP-UHFFFAOYSA-N 274.360 3.909 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2nc3ccccc3[nH]2)CS1 814709344 ZYSYDZDPOVWZGY-ZDUSSCGKSA-N 288.420 3.882 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNc1ccccn1 814730929 UYRVGWIWBSRLLQ-DOTOQJQBSA-N 295.386 3.832 30 20 CHED Clc1cnc(C=NNc2nccc3sccc23)s1 814808674 FFKIWXXWXLYMJL-UHFFFAOYSA-N 294.792 3.852 30 20 CHED Cc1c(C=NOC/C=C\Cl)n(C)c2ccccc12 814934329 RPCDMMNNCSVAOH-ACGFNPAOSA-N 262.740 3.590 30 20 CHED C=CCC(F)(F)C(=O)N1CCCCCc2ccccc21 815709910 XNMDOZVWTLBAPF-UHFFFAOYSA-N 279.330 3.957 30 20 CHED Cc1cc(C#N)cnc1C(=O)Oc1ccc(C2CCC2)cc1 816023412 ZINOQBGHWDYLEZ-UHFFFAOYSA-N 292.338 3.748 30 20 CHED ClC1(Cl)C[C@H]1CCON=Cc1cccs1 818074805 YPBVSMHWGPACSA-MRVPVSSYSA-N 264.177 3.683 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2F)c1 821001623 BFIJYYREPFCUSQ-QPJJXVBHSA-N 296.257 3.502 30 20 CHED N#CCC[C@H](NCc1ccc(C(=O)O)cc1)c1ccccc1 821320426 PVTADIHAVNLORC-KRWDZBQOSA-N 294.354 3.519 30 20 CHED CC(C(=O)N(CCC#N)c1ccc(C)cc1)=C1CCC1 825477292 UJXAVQLDVBYBLR-UHFFFAOYSA-N 268.360 3.742 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(C)c1ccc(C(C)C)cc1 827166129 MUMZSGKQAZUDNR-UHFFFAOYSA-N 281.359 3.595 30 20 CHED CCON(CC1CCCCC1)[C@H]1CC[C@@H](C#N)C1 832791730 YXVVJUNPEHKFKG-CABCVRRESA-N 250.386 3.512 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1F)C1CCCC1 835012847 XCEHDPFYPRMIIP-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1csc(N)n1 835018139 GRCZCKMBIKZEEW-UHFFFAOYSA-N 274.393 3.685 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Oc1ccccc1C(C)C 835048739 LSGYSTKITPABKX-UHFFFAOYSA-N 268.316 3.537 30 20 CHED C[C@H](c1ccc(C(=O)O[C@H](C#N)C2CC2)cc1)C(F)(F)F 835197115 UWPMBOSITJVEIK-NOZJJQNGSA-N 297.276 3.811 30 20 CHED CC(C)(C#N)COC(=O)[C@@H]1CCC[C@H]1c1ccccc1 835284330 GMWRTTVYCBOANK-LSDHHAIUSA-N 271.360 3.663 30 20 CHED C=CC(C)(C)COC(=O)CCCc1csc(C)n1 835724655 NSJKYDIHISKLDQ-UHFFFAOYSA-N 267.394 3.530 30 20 CHED CC(C)(C)C#CC(=O)NCc1csc2ccccc12 837345021 DBCSAKFYOOMIFF-UHFFFAOYSA-N 271.385 3.567 30 20 CHED CCC(CC)(CC)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839059289 ZYIXHRCEQMKMRR-CHWSQXEVSA-N 251.370 3.828 30 20 CHED C=CC(C)(C)C(=O)N(C)c1ccc(C)c(Br)c1 839335733 VKIXBTJASJXNJJ-UHFFFAOYSA-N 296.208 3.933 30 20 CHED C#CCCCC(=O)N1CCCc2c(F)ccc(Cl)c21 839441513 OUAMKDOBVRAJHC-UHFFFAOYSA-N 279.742 3.562 30 20 CHED CC[C@H](C#N)OC(=O)c1csc(C2CCCCC2)n1 840663864 BRFUHQDWBQAOAR-LLVKDONJSA-N 278.377 3.650 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C3CC3)cc2)n(C)n1 840719741 KVPBEFKZMYESOS-BJMVGYQFSA-N 266.344 3.502 30 20 CHED Cc1ccccc1CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842939192 ROYZCBFPPSAAOB-CQSZACIVSA-N 296.395 3.748 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccccc1OC1CCCC1 844513084 GRCBXKZOJKIVBS-LBPRGKRZSA-N 290.363 3.636 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(C(F)(F)F)c(C)c1 844550128 VSLIXWVULHYHQH-SECBINFHSA-N 288.269 3.641 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1ncc(C)s1)C2=O 848642533 HLSFFWBQTXAPNV-QPEQYQDCSA-N 269.369 3.891 30 20 CHED COc1cc(C#N)ccc1COC(=O)C1CCC2(CC1)CC2 850266899 LXTKIFNSALBZII-UHFFFAOYSA-N 299.370 3.580 30 20 CHED C[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccsc1 851210569 WRAWDBSEYNCGEK-MNOVXSKESA-N 265.378 3.723 30 20 CHED C[C@@H](N[C@@H](C#N)c1ccccc1)c1ccc(N(C)C)cc1 851950723 RHQKZZUFRMVHMM-KDOFPFPSSA-N 279.387 3.668 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(C(F)F)nc1 853347821 REKUUVZKFMVZNT-JLKWVEIZSA-N 260.671 3.512 30 20 CHED O=[N+]([O-])c1ccc(C(F)(F)F)c(CON=CC2CC2)c1 853735989 HNJMWHLOYPQGGI-UHFFFAOYSA-N 288.225 3.526 30 20 CHED C=CCC1(NC(=O)/C=C\c2ccccc2C#N)CCCC1 855927810 ZZCKPWHMLFZOJR-KTKRTIGZSA-N 280.371 3.577 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H]1[C@H]1CCCOC1 858114930 XNMOWRJDAXAKSD-HOTGVXAUSA-N 296.455 3.557 30 20 CHED C=CCN(Cc1cccc(C(=O)N(C)C)c1)c1ccccc1 864002171 OIBMSKZRISGLEF-UHFFFAOYSA-N 294.398 3.581 30 20 CHED CC[C@H](CC#N)Nc1ccc([N+](=O)[O-])cc1C(F)F 865678762 FQLXIWLHCRWHKZ-MRVPVSSYSA-N 269.251 3.637 30 20 CHED C#CC[C@@H](N[C@H]1CCCc2ncccc21)c1ccccc1 866312597 OUAWDVFBTSYQJC-MJGOQNOKSA-N 276.383 3.813 30 20 CHED CC1(C(=O)OCc2ccc(Cl)cc2C#N)CC(F)(F)C1 873441392 UJCGFNALLSREAT-UHFFFAOYSA-N 299.704 3.690 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C(C)(C)C)C(F)(F)F 889256518 YOPDSDNXSDDGHF-SNVBAGLBSA-N 265.319 3.682 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F 890265565 RKKFAJOFASSKJH-ONGXEEELSA-N 265.319 3.682 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)[C@]1(C#N)CC12CCCC2 890612841 CAZTWQYJOKTWDD-VQIMIIECSA-N 294.398 3.954 30 20 CHED C=CCCCC(=O)N(C)c1nsc2ccccc12 892732030 CLLYOKDUJYXNIA-UHFFFAOYSA-N 260.362 3.615 30 20 CHED CN=[S@@](C)(=O)c1cccc(N[C@H](C)CC(C)(C)C#N)c1 896038468 QDHNCUIECKKPBZ-ODXCJYRJSA-N 293.436 3.513 30 20 CHED CS[C@@H]1CCCC(=NNc2cc(Cl)ccn2)C1 901216078 VUVVWQQEDQFPGE-LLVKDONJSA-N 269.801 3.809 30 20 CHED C[C@H](C#N)CSc1ccccc1NCc1cccnc1 901986878 ZATJAJDAGQGJBB-CYBMUJFWSA-N 283.400 3.945 30 20 CHED CC[C@H](N[C@H](CO)c1ccccc1C)c1cccc(C#N)c1 902830413 NKMGRMKASOQPDZ-RBUKOAKNSA-N 294.398 3.641 30 20 CHED CC[C@@H](N[C@@H](C)c1nnc(C)s1)c1cccc(C#N)c1 902951605 OKSQHAWEWCPAGI-IINYFYTJSA-N 286.404 3.520 30 20 CHED CC[C@@H](NCC(C)(C)OCC1CC1)c1cccc(C#N)c1 903020272 XQHBIWAPODHYHX-QGZVFWFLSA-N 286.419 3.804 30 20 CHED C=C[C@H](CC)CC(=O)N(CCCC)c1ccncc1 906099585 PSTCMVXHGGPGQP-CQSZACIVSA-N 260.381 3.817 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2Cc3ccccc32)CCC1 909031232 FDDQTIKNHUCWSI-MRXNPFEDSA-N 283.371 3.734 30 20 CHED Fc1ccccc1-c1ccc(C=NNc2cnccn2)s1 912962457 QEUUNMRZKXLDLT-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CCOc1ccc(C(C)=NNc2nc3ccccc3[nH]2)cc1 915915962 ZYWFRTDZRJCGLU-UHFFFAOYSA-N 294.358 3.798 30 20 CHED CCCCNN=Cc1ccc(OCC(C)C)c(OCC)c1 915969543 MEOUXUPNZBVLBS-UHFFFAOYSA-N 292.423 3.844 30 20 CHED CC[C@@H]1C[C@H]1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 916956204 QXDCERYZNPOKAC-MNOVXSKESA-N 286.762 3.573 30 20 CHED COCCOc1cccc(/C=C\C(=O)c2cccc(C)c2)c1 917144624 JJJDDOWOKDAWTI-KTKRTIGZSA-N 296.366 3.916 30 20 CHED N#Cc1c(F)cccc1SC1CCSCC1 917759988 LOASLZPJDDVYSP-UHFFFAOYSA-N 253.367 3.685 30 20 CHED Cc1cccc2c1OC/C(=C/c1cccc([N+](=O)[O-])c1)C2=O 920067198 USLXNUWQOHMTRY-JYRVWZFOSA-N 295.294 3.562 30 20 CHED CCOc1cccc(C=NNc2cccc(F)c2)c1 920385879 JMBALPRGJWTPJR-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C=C(C)CNc1cc(Cl)ccc1OC[C@@H]1CCCO1 920401932 GMCWAECIROWJAF-ZDUSSCGKSA-N 281.783 3.886 30 20 CHED C#CCCOc1ccc(-c2nc3c(C)cccc3[nH]2)cc1 920423255 LYPJJGVFTRSKQP-UHFFFAOYSA-N 276.339 3.940 30 20 CHED CC(C)c1cccc(NC(=S)N(C)C[C@H](C)C#N)c1 920994965 ODCREFMMKCUSAJ-GFCCVEGCSA-N 275.421 3.598 30 20 CHED CCc1cc(CN(C)C[C@@H](C)C#N)c(O)c(C(C)(C)C)c1 921030822 SVPNTAYQEJBIQL-ZDUSSCGKSA-N 288.435 3.844 30 20 CHED CC(C)n1cc([C@H](C)N[C@H](CCC#N)c2ccccc2)nn1 925600667 IGGHUDLWVASUGL-GOEBONIOSA-N 297.406 3.555 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1ccccc1OC(F)F 926254681 NCADPBOIDZDNGE-GFCCVEGCSA-N 296.361 3.748 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1nccn1-c1ccccc1 926428014 NROOXDQTKOBWCA-CABCVRRESA-N 296.418 3.851 30 20 CHED C#CCN(C(=O)Nc1cc(OCC)ccc1Cl)C(C)C 931606349 DENGKPVBHXYGQE-UHFFFAOYSA-N 294.782 3.614 30 20 CHED CC[C@H](c1ccc(F)cc1F)N1CCC[C@H](C#N)C1 932147968 JQKATMMBBHTUDG-IAQYHMDHSA-N 264.319 3.651 30 20 CHED C[C@H](CCC#N)N[C@H]1CC2(CCC2)Oc2ccccc21 932214894 SCFYLLSGLNBQCQ-HIFRSBDPSA-N 270.376 3.715 30 20 CHED C=C[C@@H](CC)CC(=O)NCC(C)(C)c1cccs1 932843813 DCNVOBFPRFDRAX-LBPRGKRZSA-N 265.422 3.744 30 20 CHED C[S@](=O)c1ccc(C=NNc2cccc(Cl)c2)cc1 1116209210 IQDHWKDNUUIAQO-IBGZPJMESA-N 292.791 3.523 30 20 CHED C[C@H](Nc1ncccc1C#N)c1ccc(Cl)c(F)c1 1116429448 PIIAASQLNBPHJT-VIFPVBQESA-N 275.714 3.919 30 20 CHED CC(C)C#CC(=O)N(Cc1ccccc1)CC(C)(C)C 1118577817 LDAYUDPVKDFDOB-UHFFFAOYSA-N 271.404 3.721 30 20 CHED CC(C)(CC(=O)N[C@@H](C#N)C1CCCC1)c1ccccc1 1119505293 BBISKALXYSDAQH-INIZCTEOSA-N 284.403 3.553 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)Cc1ccccc1CC#N 1127599368 QMLUGLDTPBKXMI-GOSISDBHSA-N 298.430 3.722 30 20 CHED CCCc1ccc(C(=O)NCc2ccc(C#N)c(F)c2)cc1 1129864760 YRDLQSZPOCFWDG-UHFFFAOYSA-N 296.345 3.580 30 20 CHED N#Cc1c[nH]ccc1=NCC1(c2ccccc2)CCCCC1 1162055300 BKMXKVYACBEXQW-UHFFFAOYSA-N 291.398 3.689 30 20 CHED Cc1cc(NCC(C)(C)c2ccccc2F)ncc1C#N 1162389902 IJEVXXYTZNQCDO-UHFFFAOYSA-N 283.350 3.791 30 20 CHED Cc1ccc(CSc2cccc(F)c2C#N)cn1 1166246610 HXHXZXMXWUZQJQ-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#Cc1ccc(CCN(CCc2ccccc2)C2CC2)cc1 1198063072 ZPJHPRGDJCNBQN-UHFFFAOYSA-N 290.410 3.808 30 20 CHED CCc1ccc2c(c1)CCN2Cc1ccc(C#N)cc1C 1198587450 SZCDJBHNVCGMJL-UHFFFAOYSA-N 276.383 3.992 30 20 CHED C=C(CNC(=O)N1CC[C@H]1C(C)(C)C)c1ccccc1 1229643426 NITKNBFKZAYZDI-HNNXBMFYSA-N 272.392 3.530 30 20 CHED CCC(CC)N(C(=O)CC#Cc1ccccc1)C1CC1 1252950549 AJUQKSJEILSVKM-UHFFFAOYSA-N 269.388 3.608 30 20 CHED CC[C@H](C)C(C)=NNc1cncc(Br)c1 1253686127 VIEJZJGHARQPRO-QMMMGPOBSA-N 270.174 3.678 30 20 CHED CCCC1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCC1 1266132038 FFNHNNXUXQECNG-UHFFFAOYSA-N 290.794 3.912 30 20 CHED CSc1cccc(N(C)C(=O)CC#Cc2ccccc2)c1 1319126874 BJBYEXWZKOCDCL-UHFFFAOYSA-N 295.407 3.813 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2csc(C#N)c2)C1 1324722385 KZFNAEUFFFIVPM-WCQYABFASA-N 276.405 3.564 30 20 CHED Fc1ccc(CNN=C2CCC(C(F)F)CC2)cc1 1327031712 QAWZJAFIMBBRPM-UHFFFAOYSA-N 270.298 3.727 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(Oc2ccccc2)o1 1337581581 UATPYAIYQYHXRD-CYBMUJFWSA-N 298.342 3.836 30 20 CHED CC[C@H](C#N)N(CC)C(=O)/C=C\c1ccc(SC)s1 1338329903 VRIQOHGMJJHKOU-BPOWMSRESA-N 294.445 3.634 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCCC2(CCCC2)C1 1340687226 JPOOCVIBHLUWNR-UHFFFAOYSA-N 296.365 3.562 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)O[C@H]1CC[C@@H](C#N)C1 1342610068 FXUSNEOTFPSAJC-OLZOCXBDSA-N 286.375 3.616 30 20 CHED Cc1cc([C@H](C#N)C(=O)[C@@H](C)CC2CCCCC2)nc(C)n1 1343335696 NDYXEUHVHLDYJE-LRDDRELGSA-N 299.418 3.876 30 20 CHED C=CC[C@H]1CCCC[C@H]1Nc1cnn(Cc2cccnc2)c1 1346858399 HJIMLHSKPIVDHS-FUHWJXTLSA-N 296.418 3.873 30 20 CHED C[C@H](OC1CCCCC1)C(=O)O[C@H](CC#N)c1ccco1 1347948484 IGWQNKCSJUPPJO-SWLSCSKDSA-N 291.347 3.515 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)CCC1CCCCCC1 1349703762 ZYUDVFBAEFCHIS-HNNXBMFYSA-N 287.407 3.830 30 20 CHED N#Cc1ccc(F)c(C(=O)OCc2ccc(Cl)cc2)c1 1350104307 AXNJRLFNDWEHTA-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#CCN(C(=O)Nc1cccc(SCC)c1)C(C)C 1354604358 QSYLJOZDCHACDT-UHFFFAOYSA-N 276.405 3.674 30 20 CHED Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1C#N 1435338208 GLKIALGVZBRAIM-DLBZAZTESA-N 282.387 3.565 30 20 CHED CCC1(NC(=O)c2cc(C#N)ccc2C)CCCCC1 1460235267 VNYZDNPWBKCHHO-UHFFFAOYSA-N 270.376 3.709 30 20 CHED CC(C)(CNC(=O)NCC1(C#N)CCC1)C1CCCCC1 1469446133 NNLBGMBFGNIUBJ-UHFFFAOYSA-N 291.439 3.586 30 20 CHED CCc1cnc(CSc2cccc(F)c2C#N)o1 1473038212 ZGWIJFVOHDSSPG-UHFFFAOYSA-N 262.309 3.540 30 20 CHED N#C[C@H]1CCCN(CCSc2ccc(Cl)cc2)C1 1473780925 DTTFNJANRUFPSB-GFCCVEGCSA-N 280.824 3.668 30 20 CHED C=C(CC)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 1520975063 CCCDVSKUWIAPOM-UHFFFAOYSA-N 276.361 3.925 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)C[C@H](C)c1ccco1 1525833012 JBKXHLVYWHRIIR-GJZGRUSLSA-N 297.354 3.542 30 20 CHED CC[C@H](C(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1535454941 AROXFXVOVDXAJG-AWEZNQCLSA-N 282.318 3.830 30 20 CHED COc1ccc(CNc2cc(C#N)ccc2C)c(C)c1 1560498200 XINXQPALRILYTE-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CCCC[C@H](NC(=O)C(C)(C)C1CCCCC1)C(=O)O 1588786597 QCJKVGAVCZUWLV-AWEZNQCLSA-N 295.423 3.519 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(C#N)cc1F 1595562948 AANRHAYPXAVRTD-MLGOLLRUSA-N 288.366 3.738 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(CC(=O)O)cc1 1602856569 CFDNWKKUNBPMTJ-MRXNPFEDSA-N 275.392 3.538 30 20 CHED N#Cc1cccc(OCCN2CCC=Cc3ccccc32)c1 1617224624 DKYBNTFZHYGXPO-UHFFFAOYSA-N 290.366 3.861 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2cc(F)cc(C#N)c2)CC[C@H]1C 1624291862 VKHZTTNUPYPDLK-MDZLAQPJSA-N 274.339 3.708 30 20 CHED Cc1cc(C#N)cc(NC(=O)Nc2cccc3[nH]ccc23)c1 1625598349 ISBZEDCMBWAWAH-UHFFFAOYSA-N 290.326 3.992 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(C(F)F)cc2)cc1 1627044849 HHKYOEWIWYFEJD-UHFFFAOYSA-N 286.281 3.943 30 20 CHED N#Cc1cccc(Br)c1N1CCC[C@H](CF)C1 1651368434 MLHKKUGZMHHVFS-SNVBAGLBSA-N 297.171 3.507 30 20 CHED Cc1ccc(C#N)c(N(C)CCC2CCCCC2)n1 1651463003 ZKWKTYHWHPHGHP-UHFFFAOYSA-N 257.381 3.668 30 20 CHED Cc1ccc(C[C@@H]2CCCN2CC2(CC#N)CC2)cc1 1657311978 OONDHOAJXWDRIE-KRWDZBQOSA-N 268.404 3.696 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C#N)c(F)cc1F 1673966843 CTFFVXDFZURGLC-ZANVPECISA-N 293.317 3.537 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)c1cccc(C)c1 1776073480 WWJFSKOEZKEFPV-UHFFFAOYSA-N 286.306 3.668 30 20 CHED Cc1cc(Cl)ccc1NN=C1CC[C@@H](CC(=O)O)[C@H]1C 1776104373 DANOZIQXQOXQTM-MNOVXSKESA-N 294.782 3.937 30 20 CHED C=CCC(C)(C)CC(=O)Nc1ccc([C@@H](C)C(=O)O)cc1 1776150887 XZYHLRIWGORAPQ-GFCCVEGCSA-N 289.375 3.806 30 20 CHED C=CCCC1(C(=O)O)CCN([C@@H](C)CC(C)C)CC1 1776168107 WAXQXBASQOIXFY-AWEZNQCLSA-N 267.413 3.554 30 20 CHED C=CCCCCCN1CC[C@]2(C(=O)O)CCCCC[C@H]12 1776174385 FODNBKBOSOLCAQ-DOTOQJQBSA-N 279.424 3.842 30 20 CHED N#CCc1ccc(NC(=O)CSC2CCCCC2)cc1 7816460 VWEVLBJCZRAJDQ-UHFFFAOYSA-N 288.416 3.757 30 20 CHED C#CCOc1ccc(NC(=O)c2cc(C)ccc2C)cc1 108187697 URKADBZZPCIONS-UHFFFAOYSA-N 279.339 3.568 30 20 CHED C#CCCCCC(=O)N[C@@H](CC)c1ccccc1OCC 119928115 DYDVURINYDGOGH-INIZCTEOSA-N 287.403 3.846 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(CSC)c2)CC1 111767709 GZEAPFDYGBIOBS-UHFFFAOYSA-N 290.432 3.980 30 20 CHED C/C=C(\C)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 179354412 BMROCOZLAWNENW-LXRBDXNZSA-N 282.368 3.953 30 20 CHED C=C(Cl)COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 917286834 TTWUFDCQKMXCAR-RKDXNWHRSA-N 270.678 3.651 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1F 421363632 LVPNPWKRBAJGOO-IIAWOOMASA-N 272.367 3.756 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(C#N)c1 246112280 DZQCGBDSELWNAS-KBRIMQKVSA-N 254.377 3.711 30 20 CHED CCC(CC)CN(CCC#N)C(=O)Nc1nc(C)cs1 176338003 XYLJBEBOJQIXCD-UHFFFAOYSA-N 294.424 3.635 30 20 CHED N#Cc1ccc(NCC2(c3ccc(F)cc3)CCC2)nc1 301134346 XESYKLWHQHFWOK-UHFFFAOYSA-N 281.334 3.626 30 20 CHED Cc1cc(CNc2nnc(C)c(C)c2C#N)ccc1Cl 302125622 ICLWZMRIUUPSOL-UHFFFAOYSA-N 286.766 3.539 30 20 CHED N#Cc1nccnc1S[C@H]1CCCc2ccccc21 176893333 TUQZLUCUNREJCJ-AWEZNQCLSA-N 267.357 3.518 30 20 CHED C#CCCCN[C@H](CC)c1ccc(OCC)c(OCC)c1 178061195 BDYPCFJBZJQFIS-MRXNPFEDSA-N 289.419 3.938 30 20 CHED C#CCCCCC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 119856953 LLXFITRAMINNPX-WBVHZDCISA-N 269.388 3.585 30 20 CHED C[C@H](OC(=O)CC[C@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1 175795862 FNLBCJUMCBGACM-DVOMOZLQSA-N 287.359 3.510 30 20 CHED CN1CCCN(CCCC(C)(C)C#N)c2cc(F)ccc21 174872203 BOVPNBDBQCYNIG-UHFFFAOYSA-N 289.398 3.802 30 20 CHED C=CCCSc1nnc(Nc2cccc(OC)c2)s1 303755863 CYNGGQOSFHCNCQ-UHFFFAOYSA-N 293.417 3.959 30 20 CHED C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1 178179750 DUUNHGDDJXIHHF-PXAZEXFGSA-N 296.345 3.872 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](CCC)c1ccccc1 1347409469 XJWDDIRRTOMGBL-KRWDZBQOSA-N 284.403 3.583 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1F 178389086 BIOJTKDTCBCPNP-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C#CCN(CCC)Cc1ccc(OCCC)c(OCC)c1 302844691 AFRHOBLUIVIXAM-UHFFFAOYSA-N 289.419 3.719 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1ccc(CC#N)cc1 174714213 DOWOKPVEPQPLBG-KGLIPLIRSA-N 285.391 3.795 30 20 CHED CC(C)(CCC#N)COC(=O)CC1(C#N)CCCCC1 1263479410 YQWZKARBKYGLHX-UHFFFAOYSA-N 276.380 3.724 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N1CCC[C@H]1C1CCC1 1262958254 WFGKAQNVGAZHRV-INIZCTEOSA-N 298.434 3.667 30 20 CHED C=CCn1c(C)nn(CN(CCCC)CCCC)c1=S 124617276 WNYSAQUWKAMVLM-UHFFFAOYSA-N 296.484 3.768 30 20 CHED C=C[C@H](CC(=O)N(CCC)CC(F)F)c1ccccc1 122628439 YEUQLFOJAXDNRC-CYBMUJFWSA-N 281.346 3.850 30 20 CHED CC#CCCCc1nc(-c2ccc(C)c(F)c2)no1 184863981 HPGNPIRGSJOTNV-UHFFFAOYSA-N 258.296 3.530 30 20 CHED C[C@@H](C#N)OCCOc1cccc(OCc2ccccc2)c1 399193256 WXLKONXMIWILBX-HNNXBMFYSA-N 297.354 3.573 30 20 CHED CCNc1nnc(S[C@@H](C)c2cccc(C#N)c2)s1 189817826 PAZABPWEUBQXJJ-VIFPVBQESA-N 290.417 3.695 30 20 CHED C=CCC[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccccc1 181507968 NJRZAHCHFXBFHW-XIRDDKMYSA-N 259.393 3.709 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC(C)(C)C1 483726195 MGOJWVBOCQKQEE-GFCCVEGCSA-N 260.356 3.565 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2cc(F)ccc2C#N)C1 229957318 OTXCZYCZMFKEEX-WBMJQRKESA-N 260.356 3.708 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@@H](CCC)C1 508738079 DHIIRWWZLXZPHM-CQSZACIVSA-N 276.428 3.604 30 20 CHED Cc1ccc(CNc2cccc(CC#N)c2)cc1[N+](=O)[O-] 313423739 HMAHDYCIRZPSCR-UHFFFAOYSA-N 281.315 3.581 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1nnc(C)o1)c1ccc(F)c(F)c1 187787901 IIGAQEHZSHOEQP-XPTSAGLGSA-N 293.317 3.624 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(C1CC1)C1(C#N)CCC1 410752034 ZCSAWYDVWCCYRT-CQSZACIVSA-N 276.424 3.886 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 184974526 WLNKMJGERMYZQI-GFCCVEGCSA-N 295.329 3.659 30 20 CHED N#Cc1ccc(Oc2nc(-c3ccccc3)ns2)cc1 120349511 DGXVIQHRSPENAZ-UHFFFAOYSA-N 279.324 3.869 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C 417485039 VUBINOIAXHHSSD-MELADBBJSA-N 288.439 3.602 30 20 CHED C=CCC[C@H](NC[C@@H]1C[C@@H](C)O[C@H]1C)c1ccco1 414258724 MCYLOHQMMAOMLY-QPSCCSFWSA-N 263.381 3.690 30 20 CHED C=C(C)CCc1noc(-c2ccc(CC)c([N+](=O)[O-])c2)n1 508672308 RNZXLYZZBSDGNK-UHFFFAOYSA-N 287.319 3.716 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCn2ccc3ccccc32)C1 185880459 DOWKCETTYLMVFZ-WBVHZDCISA-N 281.403 3.703 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)[C@H](C)CC 183258641 WEACZRZZJCIRFP-CABCVRRESA-N 289.419 3.892 30 20 CHED N#Cc1nn(C[C@@H]2CCCC(F)(F)C2)c2ccccc12 509082709 MPYRYZVTRIIHEW-LLVKDONJSA-N 275.302 3.733 30 20 CHED CCN(CC#N)CCCOc1ccc(C(C)(C)C)cc1 503577781 ZGNWJBMESCPICV-UHFFFAOYSA-N 274.408 3.598 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(C(C)(C)C)c1O 185864786 CKEFSTXHXGKGOH-UHFFFAOYSA-N 273.376 3.678 30 20 CHED CC1(C)[C@@H](NCCCCC#N)C[C@H]1OCc1ccccc1 182324924 QBTNUSHLCHKLPI-DLBZAZTESA-N 286.419 3.654 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccn1C 72576668 HIYBIWNTURTWGB-UHFFFAOYSA-N 294.807 3.568 30 20 CHED Cc1ccccc1C(C)(C)CN[C@H]1CCC[C@H](C#N)C1 185806278 CMELGYGUAQKVCP-HOTGVXAUSA-N 270.420 3.945 30 20 CHED C[C@H](NC(=O)CCCc1cccs1)c1cccc(C#N)c1 75270066 FRBHHDOZNSAGAL-ZDUSSCGKSA-N 298.411 3.820 30 20 CHED N#Cc1cc(NC(=O)C2CC2)ccc1Oc1ccccc1 186266404 FNVICSHGLNUBFL-UHFFFAOYSA-N 278.311 3.699 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC(C)(C)C1CCCC1 509290135 ZMBQNHMSCWYFQF-UHFFFAOYSA-N 284.403 3.813 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1cc2ccccc2s1 184383371 SJPFXKWXJJMVRP-JSGCOSHPSA-N 275.417 3.879 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccccc1OCC(F)F 188011728 QDUORKOAOZAGQJ-HNNXBMFYSA-N 283.318 3.871 30 20 CHED C#CCCCOc1ccc(Br)c(C)c1 135593568 VUEXVRXEPPXYCX-UHFFFAOYSA-N 253.139 3.550 30 20 CHED C=CCN(Cc1ccccc1)C(=O)COC1CCCCC1 44488600 SMPFCFMKUWDNBY-UHFFFAOYSA-N 287.403 3.551 30 20 CHED CC[C@@H](C(=O)Nc1ccc(C#N)cc1OC)c1ccccc1 317518854 RSIDHBWMEDLCAD-OAHLLOKOSA-N 294.354 3.699 30 20 CHED C[C@H](NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 74917580 FPFZZQOLVASRIU-JKIFEVAISA-N 299.418 3.839 30 20 CHED CCCc1nc(C)c(C(=O)Nc2ccc(C#N)cc2)s1 42813348 SYOTXVWMLDTPFH-UHFFFAOYSA-N 285.372 3.528 30 20 CHED N#Cc1ccc(CNCCc2cccc3cccnc23)s1 135676710 GOEGYEGZOXQXIS-UHFFFAOYSA-N 293.395 3.500 30 20 CHED N#Cc1cccc(CSc2ncccc2Cl)c1 43895861 ZAXIASWOZZXREB-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc(C)c(F)cc1Cl 410830325 USLLOVQGJWSKTD-JTQLQIEISA-N 282.746 3.552 30 20 CHED Cc1cc(N2CCC(CC#N)CC2)c2ccccc2n1 336506294 BRKDGFWQDXRUMI-UHFFFAOYSA-N 265.360 3.673 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)N(C)c1ccccc1C#N 508089451 SANKRZYEGXFRNV-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED C[C@H]1CCC[C@H](N(C)CCCOc2ccc(C#N)cc2)C1 48068973 CXOQJLSSMLBFBE-RDJZCZTQSA-N 286.419 3.838 30 20 CHED CC(C)CN(C(=O)CSCC#N)c1ccccc1Cl 411082687 BQLNDPKNJGIJEX-UHFFFAOYSA-N 296.823 3.586 30 20 CHED CN(CCCC1(C#N)CCOCC1)CCC1CCCCC1 410336710 JITCVIBWIOTJFG-UHFFFAOYSA-N 292.467 3.989 30 20 CHED CC(C)[C@H](CC(=O)N1CCC(C#N)CC1)c1ccccc1 41110828 QMUVDYLKNAVMDB-KRWDZBQOSA-N 284.403 3.578 30 20 CHED C#Cc1cccc(N(C(=O)CCC(F)(F)F)C(C)C)c1 80277779 ZICGAHDFSZSDHK-UHFFFAOYSA-N 283.293 3.752 30 20 CHED Cc1ccnc(N/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 329407600 CNLTVWOCMIVPLJ-MELADBBJSA-N 273.380 3.685 30 20 CHED N#Cc1ccc(NCc2ccccc2C#N)c(Cl)c1 225235146 GYPCTPJWRYXBCJ-UHFFFAOYSA-N 267.719 3.695 30 20 CHED CCc1nc(C)c([C@H](C)N(C)CC2(CC#N)CC2)s1 602779000 DSSXXGMQEYWIQG-LBPRGKRZSA-N 277.437 3.701 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C(C)(C)C(=C)C 425487818 WFSHMEQSKWZYKV-UHFFFAOYSA-N 271.404 3.846 30 20 CHED C=C(C)[C@H]1OCC[C@H]1/C(O)=N/[C@@H](C)c1ccc(Cl)cn1 328780441 UMAUOIWNXQBGTE-ZKYQVNSYSA-N 294.782 3.734 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(F)c(F)c1 45169344 SCJQTQSYOQMXDW-UHFFFAOYSA-N 289.281 3.782 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 137132390 KJZLZUBKCXOVMD-PBHICJAKSA-N 299.418 3.668 30 20 CHED CC[C@H](OC1CCCC1)C(O)=Nc1ccc2nc[nH]c2c1 329038262 CUPWHJBHIZNKSK-HNNXBMFYSA-N 287.363 3.889 30 20 CHED COc1ccc(C#N)cc1CN1CCCc2ccccc21 130391728 CIKRNNNAUVHKRR-UHFFFAOYSA-N 278.355 3.520 30 20 CHED COc1cc(C)ccc1NCc1cn2ccccc2c1C#N 193431110 RABNGCMHEMHLPP-UHFFFAOYSA-N 291.354 3.740 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)c1cc(C#N)ccc1Cl 513002428 YTXWHTKKZRHHPK-QWRGUYRKSA-N 290.794 3.766 30 20 CHED Cc1noc(C2CC2)c1N=C(O)CC[C@@H]1CCCCN1C 329530174 VOGWZCPZNQGRLR-ZDUSSCGKSA-N 291.395 3.713 30 20 CHED Cc1c[nH]ccc1=N/C(O)=N/[C@@H]1CCCCC12CCCC2 329789559 CBJAYQOWAORYKR-OAHLLOKOSA-N 287.407 3.641 30 20 CHED C=CCn1c(C)nnc1SCc1cc(C)ccc1C 47822138 XIHDOPAIQCUUIR-UHFFFAOYSA-N 273.405 3.682 30 20 CHED C#CCN(C)C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 191037094 JTCMFCBITPVRHP-HNNXBMFYSA-N 293.366 3.532 30 20 CHED C=CC[C@H](C(=O)N1CCSC[C@H](C)C1)c1ccccc1 191282960 ARWHYGNKWRVPCR-ZBFHGGJFSA-N 289.444 3.558 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1 229748446 RQRDMSFMTNKBID-DOMZBBRYSA-N 260.356 3.708 30 20 CHED C[C@]1(C(=O)[C@H](C#N)c2cccc(F)n2)C[C@@H]1c1ccccc1 1263383917 IVFSZJBOEDZUDO-LBTNJELSSA-N 294.329 3.591 30 20 CHED CC(=O)Nc1ccc(C)c(N[C@@H](C)c2cccc(C#N)c2)c1 193018473 PVIJDITYKMALIK-ZDUSSCGKSA-N 293.370 3.998 30 20 CHED C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C#N)cc2)C1 518465897 HMNYKIXXIXECGP-DNVCBOLYSA-N 291.398 3.806 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc2[nH]ccc12 81686038 UWSRTQLBOMZLMB-UHFFFAOYSA-N 297.402 3.960 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2ccccc2[C@@H]1C 425522918 BZYHQIYCQVJOQV-ZDUSSCGKSA-N 257.377 3.735 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 424782997 JCCAAVANMZPLKJ-HUUCEWRRSA-N 281.440 3.689 30 20 CHED C=C(C)C(C)(C)c1nc([C@H]2CCOc3ccccc32)no1 424346214 IGAKJUKFDXNJEM-ZDUSSCGKSA-N 284.359 3.838 30 20 CHED COc1cc(F)cc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 425367559 UDMPTOZKEWCOMO-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C=C[C@@H](CC(=O)N1CCSC[C@@H](C)C1)c1ccccc1 191330812 RBOIXSIAYRZXIT-GJZGRUSLSA-N 289.444 3.558 30 20 CHED CC(C)Cc1ccc([C@H](NC(=O)NCCC#N)C2CC2)cc1 426419142 JTORDIZDOCPMDV-KRWDZBQOSA-N 299.418 3.549 30 20 CHED CCCN(CCC)C(=O)Nc1ccc(C#N)c(Cl)c1 192632430 QMVOFZWIEWEYJS-UHFFFAOYSA-N 279.771 3.866 30 20 CHED C=CCN(CC=C)C(=O)c1occc1COc1ccccc1 192933840 VXXMXPWHZINGBS-UHFFFAOYSA-N 297.354 3.673 30 20 CHED CCC1(/N=C(/O)c2oc(CC3CC3)nc2C)CCC1 330022171 ZCYSRJZGFZNWQA-UHFFFAOYSA-N 262.353 3.573 30 20 CHED C[C@H]1C[C@H](CC(=O)NCC2(C#N)CCC2)CC(C)(C)C1 331869161 LOWDYQIVDMLPJV-UONOGXRCSA-N 276.424 3.649 30 20 CHED C=C(C)CN(C)Cc1ccc(Sc2ccccn2)o1 512213615 PFNXTAOVQPXZKA-UHFFFAOYSA-N 274.389 3.834 30 20 CHED COc1ccc(C#N)cc1NC(=O)Nc1cscc1C 336478130 SKMJQWKIXSUFCR-UHFFFAOYSA-N 287.344 3.581 30 20 CHED Cc1ccccc1C[C@H](C)Nc1ncc(C#N)cc1Cl 608886153 ZVCTZFMHQZWLMK-LBPRGKRZSA-N 285.778 3.958 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1cc2ccccc2o1 92198252 INGULVIRHNPVCK-CMDGGOBGSA-N 280.327 3.625 30 20 CHED N#C[C@@H]1CCC[C@H]1NC(=O)C1CCC(c2ccccc2)CC1 332133484 KNWJFODSIHTDMG-ZGUYJTEBSA-N 296.414 3.769 30 20 CHED N#Cc1ccc(F)c(CN2CCc3c(F)cc(F)cc32)c1 510063687 RIHXZKGQSCNEFI-UHFFFAOYSA-N 288.272 3.538 30 20 CHED C=CC[C@@H](C)N[C@H](C)CCc1c(F)cccc1F 510724594 YSEOGIWDCQZACP-VXGBXAGGSA-N 253.336 3.840 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(C#N)cc2Cl)o1 335781233 XYSYFGIAJVTXGX-UHFFFAOYSA-N 274.707 3.674 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(F)cc1C#N 97036627 HFHAQNIFLVVVSG-LBPRGKRZSA-N 297.333 3.922 30 20 CHED N#C[C@H](NC(=O)c1ccoc1)c1c(Cl)cccc1Cl 334370168 VNTCTOKTGZQNRV-NSHDSACASA-N 295.125 3.581 30 20 CHED Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1-c1ncco1 515975047 WYMXNECLEZWAMK-OLZOCXBDSA-N 267.332 3.754 30 20 CHED CC(C)CN(C(=O)[C@H]1C[C@H]1C1CC1)c1ccc(C#N)cc1 433854326 OBSPGLBOLOKDBL-IRXDYDNUSA-N 282.387 3.593 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 331904178 GHHBSJJGKLHFOV-GTNSWQLSSA-N 294.354 3.513 30 20 CHED CCC(=O)Nc1ccc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)cc1 331300596 USQZWCCEHWXETG-BXUZGUMPSA-N 289.379 3.550 30 20 CHED CC(C)(C#N)c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 335166386 BVFIYXOYQXDLAT-UHFFFAOYSA-N 299.227 3.696 30 20 CHED CCc1cnccc1[C@H](C)/N=C(/O)c1sc(C)nc1C 330638575 BAXCAWXXZQSIPH-VIFPVBQESA-N 289.404 3.783 30 20 CHED C=CCOc1ccc(C(=O)N(C2CCC2)C2CCC2)cc1 346740820 ZUOUFRDMEZBKHJ-UHFFFAOYSA-N 285.387 3.799 30 20 CHED C=CCCN(Cc1cccc(Br)c1)C1CC1 524812226 ZKUOMQKLMHNWNJ-UHFFFAOYSA-N 280.209 3.990 30 20 CHED CN(CC(C)(C)C#N)c1c(C#N)cnc2ccc(Cl)cc12 432143940 SPSPWQJPDULGJS-UHFFFAOYSA-N 298.777 3.746 30 20 CHED N#CCCCNCc1cccc(-c2ccccc2)c1 344317501 AOZHIRIPBUIKTD-UHFFFAOYSA-N 250.345 3.747 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 432096531 SQUVRPOSDUMRHI-LSDHHAIUSA-N 290.382 3.583 30 20 CHED C=C(CN[C@H](C)c1cc(OC)ncc1F)c1ccccc1 348061032 VONSUKPJGZBBQN-CYBMUJFWSA-N 286.350 3.593 30 20 CHED CC(C)N(Cc1ccc(F)cc1)C(=O)c1cccc(C#N)c1 346256689 RLBMXALDJUEGKC-UHFFFAOYSA-N 296.345 3.748 30 20 CHED C[C@H](CC1(C#N)CCOCC1)Nc1cccc2ccn(C)c12 602629235 GGSWQNJOQHVBDY-CQSZACIVSA-N 297.402 3.689 30 20 CHED CC1(C)CCc2ccccc2[C@@H](NCCCC#N)C1 436281179 FVMVOSVNFUIBSU-INIZCTEOSA-N 256.393 3.984 30 20 CHED CCS[C@@H]1CC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 437579539 PUGPBYHCBJKLTQ-DLBZAZTESA-N 291.435 3.783 30 20 CHED N#C[C@H](Sc1nc(C2CC2)nn1-c1ccccc1)C1CC1 601074126 KJXPURWAGWHFDE-AWEZNQCLSA-N 296.399 3.539 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 609735602 DQQLUGIPVCRJFB-KVSKMBFKSA-N 298.430 3.844 30 20 CHED CCCN(CCCc1ccncc1)Cc1ccc(C#N)cc1 347280796 AVQRFOFWEQAOMM-UHFFFAOYSA-N 293.414 3.798 30 20 CHED C=CCCCN(C)Cc1cscc1Br 347872386 HLVCBLCMZBQKIL-UHFFFAOYSA-N 274.227 3.909 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H](C)C[C@H]2C)c1 607202482 YQSSJTYOPKXLPM-CHWSQXEVSA-N 274.364 3.514 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@]3(CCc4ccccc4O3)C2)C1 528728217 JLQWJIVRQKSJKI-AYBZRNKSSA-N 296.414 3.538 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2NC[C@H](C)CCC#N)cc1 602572759 MMUKELZPELEIEL-NJAFHUGGSA-N 286.419 3.745 30 20 CHED CN(C(=O)C[C@@H]1C[C@@H]1c1ccccc1)c1ccc(C#N)cc1 341385419 OJRPTLFFIYJFBL-FUHWJXTLSA-N 290.366 3.715 30 20 CHED CC(C)(CCC#N)CN1CCSC(C)(C)CC1 435052598 WMWOECCHEUGFHC-UHFFFAOYSA-N 254.443 3.534 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C)C1CCCCC1 437487815 BOZUTTHKYLCHFE-HFTRVMKXSA-N 293.451 3.690 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 604913192 URYPYCUKGZJEGT-ZQDZILKHSA-N 264.413 3.609 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1sccc1C(C)C 437491834 BMEJXLCOKORERN-JSGCOSHPSA-N 293.432 3.583 30 20 CHED Cc1cc(OCc2nc(C(F)(F)F)cs2)ccc1C#N 434646883 DIXKGURGNFSHTQ-UHFFFAOYSA-N 298.289 3.921 30 20 CHED N#Cc1ccc(/C=C\c2csc(-c3ccccn3)n2)nc1 255108645 LKEGLECAGDQCNI-SREVYHEPSA-N 290.351 3.642 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 435571776 YWVYUVXSQZKDTI-LSDHHAIUSA-N 269.735 3.575 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(F)c(C#N)c2)C1 609102545 IGPCAFIXVIBASK-VXGBXAGGSA-N 274.339 3.852 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)cc1F)CC2 604505611 RUPNDHVFWQOQLM-UHFFFAOYSA-N 266.319 3.569 30 20 CHED N#CC1(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 343143043 PFADDXTYIJJXMF-LJQANCHMSA-N 288.394 3.938 30 20 CHED CSc1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 255389588 WMMFRJLEUOQFBH-UHFFFAOYSA-N 288.328 3.773 30 20 CHED C=CCOCCCN(C)Cc1ccc(F)c(Cl)c1 348193710 NXIXXCXMXSVXOT-UHFFFAOYSA-N 271.763 3.504 30 20 CHED C[C@@H](CF)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 348754076 YYZQZUGNWDLNOH-AWEZNQCLSA-N 296.345 3.566 30 20 CHED CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(C)c2)C12CCCC2 443993295 KYNPLJITDPXZPS-ZWKOTPCHSA-N 298.430 3.694 30 20 CHED C=CCCCSc1nnnn1-c1ccc(C(C)C)cc1 605076435 FLFYXIHWFNIDHF-UHFFFAOYSA-N 288.420 3.844 30 20 CHED CC(C)[C@@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 355105384 OTSGLBQLINQSIY-IRXDYDNUSA-N 284.403 3.721 30 20 CHED C=CC[C@H]1N(C(=O)c2c(C)nsc2C)CCCC1(C)C 351108794 NHCFHNRHYKXQOM-CYBMUJFWSA-N 292.448 3.967 30 20 CHED C=CCOCCCSCC(=O)c1c[nH]c2ccccc12 359125997 OQGVDIULYZNCGO-UHFFFAOYSA-N 289.400 3.677 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCCc2ccc(C)cc21 358947527 HVMKPXJCFUGWIX-INIZCTEOSA-N 272.392 3.590 30 20 CHED Cc1cc(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)ccc1C#N 443993556 KCPZFTRDVGJBSJ-SJORKVTESA-N 286.419 3.550 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(-c2ccccc2F)on1 615930632 SPDSEGODVRDVBU-UHFFFAOYSA-N 288.322 3.519 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(CC)o1 352929867 IMZYOXMAHOVLAR-UHFFFAOYSA-N 259.349 3.666 30 20 CHED C=CCC[C@H](O)CN(Cc1ccoc1)C1CCCCC1 351273141 VQQOWCZKLVBZKS-KRWDZBQOSA-N 277.408 3.741 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CC[C@H](C)C1 444150595 SOOCUALHXHGDNR-UONOGXRCSA-N 252.402 3.563 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)n([C@@H](C)CC)n2)C1 617781109 FDZDRQRJPNFKFS-ZFWWWQNUSA-N 289.423 3.591 30 20 CHED N#C[C@H](Cc1ccccc1)Nc1cccc2cc[nH]c12 614034636 CMBODLCVZMFSSI-HNNXBMFYSA-N 261.328 3.715 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cc3c(s2)CCCC3)C1 618566888 QHGFXPBZTULONI-JSGCOSHPSA-N 274.433 3.799 30 20 CHED C=C(C)CCN[C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 449473969 ISRBIUWVBZOKCT-ZDUSSCGKSA-N 284.403 3.590 30 20 CHED C=C(C)COc1cc(CN(C)CCC2CC2)ccc1OC 535809142 IHOGSHCMKVIAQK-UHFFFAOYSA-N 289.419 3.882 30 20 CHED C=CCC[C@@H](CC)NCc1ccc2c(n1)CCCC2 446897807 FKLWUMKLLUPXAM-OAHLLOKOSA-N 258.409 3.795 30 20 CHED C=CCCC1(C(=O)NCc2oc3ccccc3c2OC)CC1 356992962 FOIRGSPXKGTDQH-UHFFFAOYSA-N 299.370 3.804 30 20 CHED C=C(CNC(=O)c1ccc(C(C)C)cn1)c1ccccc1 355375248 WUSLBMWVMROMHL-UHFFFAOYSA-N 280.371 3.648 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC(C)(C)c1ccccc1 539468456 ZDIYCRVPCDUFQB-CQSZACIVSA-N 274.408 3.966 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N[C@H](C)c2cccc(C#N)c2)C1 610362528 RXTXEAIWPQDBCG-RBSFLKMASA-N 284.403 3.952 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)Cc1cccc(C#N)c1 455281564 NVOBGAWZWYTNHQ-IAGOWNOFSA-N 299.418 3.526 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc([C@]2(C#N)C[C@H]2C)n1 453191526 YTHHBNXYMBOUIY-FJJYHAOUSA-N 259.353 3.555 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(F)c(OC)cc1C 455162847 MKQILVTZYJXUMO-UHFFFAOYSA-N 294.370 3.867 30 20 CHED Cc1ccncc1[C@H](C)NCc1ccc(C#N)c(Cl)c1 619755208 CKRWHHAQQURCNV-LBPRGKRZSA-N 285.778 3.766 30 20 CHED N#CC1(C(=O)N2CC3(CCC3)c3ccccc32)CCCC1 368994072 MXFZSUIWWYRMST-UHFFFAOYSA-N 280.371 3.539 30 20 CHED C=C(C)CN1CCC(Nc2cccc(Cl)c2C#N)CC1 450314111 AMEIMXJTGNJEQF-UHFFFAOYSA-N 289.810 3.664 30 20 CHED CC(C)(C)[C@@H](NCC1(C#N)CC1)c1ccc(F)cc1F 538391386 ZKMZUXMSPVVZIF-AWEZNQCLSA-N 278.346 3.945 30 20 CHED CCC(CC)(CC)C(=O)N[C@H](C)c1cccc(C#N)c1 610758429 VADYERAFGRWREE-CYBMUJFWSA-N 272.392 3.952 30 20 CHED C=CCOc1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 535355872 XIJKBNGOLUQARW-UHFFFAOYSA-N 285.734 3.843 30 20 CHED CC(C)Cc1ccc(CC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612243723 YXUNXSNSGJKGHT-IBGZPJMESA-N 298.430 3.580 30 20 CHED C=CCC1(NC(=O)C[C@@H]2OCCc3ccccc32)CCCC1 619107665 HJVAMNQETDBTLS-KRWDZBQOSA-N 299.414 3.696 30 20 CHED Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)c(C)c1 618742009 OURNHZOLTVBMGD-LJQANCHMSA-N 276.383 3.952 30 20 CHED C=C(C)CCNC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 452716657 IVCBJUDLQKAXGZ-LBPRGKRZSA-N 293.794 3.631 30 20 CHED N#CCc1cccc(C(=O)Nc2nc(C3CCC3)cs2)c1 277817624 XSELWGOJTSCXSH-UHFFFAOYSA-N 297.383 3.729 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(Oc2ccncc2)c1 362693835 WVHHYCOLHJZTKB-GFCCVEGCSA-N 283.331 3.570 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)CCc2ccc(C#N)cc2)C1 456993142 GMPNCTZDSTYJFK-RLFYNMQTSA-N 298.430 3.822 30 20 CHED C=CCC1(C(=O)N2C[C@@H](CO)c3ccccc32)CCCCC1 452443500 KLENNXRXHFSNHJ-HNNXBMFYSA-N 299.414 3.636 30 20 CHED C=CCCCc1nc(Cc2c(C)[nH]c3ccccc23)no1 546355506 GKOHCVRRSGCAFI-UHFFFAOYSA-N 281.359 3.959 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1Cl 540533150 UYTYZYUPDBRXRJ-QWHCGFSZSA-N 295.810 3.968 30 20 CHED C=CCC1(c2nc(C3(COC)CCCC3)no2)CCC1 453292281 NKDCMSJLJMMYHL-UHFFFAOYSA-N 276.380 3.526 30 20 CHED C=CC(C)(C)CNC(=O)Cc1ccc(Cl)c(Cl)c1 452775732 INDWIUUMRXBRHX-UHFFFAOYSA-N 286.202 3.864 30 20 CHED Cc1nc(C)c(CN[C@H](C)c2ccc(C#N)c(F)c2)s1 271985161 XZSFTNGEXQPWBY-SECBINFHSA-N 289.379 3.622 30 20 CHED N#Cc1ccncc1N1CCC(=Cc2cccc(F)c2)CC1 362337646 WMRLBGOETNWERA-UHFFFAOYSA-N 293.345 3.776 30 20 CHED C[C@@H](c1ccco1)N(C(=O)c1ccc(F)c(C#N)c1)C1CC1 278565702 HYMBAMONMOGRDE-NSHDSACASA-N 298.317 3.656 30 20 CHED C[C@@H](C#N)CNC[C@H](C)Cc1ccc(C(C)(C)C)cc1 543624568 ULCHFIIRCYMDDU-CABCVRRESA-N 272.436 3.912 30 20 CHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1F 274618294 LOTOSGJOYXXJDK-NVBFEUDRSA-N 264.319 3.698 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 455686636 OPLQYMBNLUFCFG-DDTOSNHZSA-N 263.768 3.524 30 20 CHED CCCC(O)(CCC)CN[C@@H](C)c1cccc(C#N)c1 271807899 AAMBHDZVBMRDPJ-AWEZNQCLSA-N 274.408 3.540 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)N(C(N)=O)CCC2 278811754 XHRJZOPKXBJYLO-QWHCGFSZSA-N 287.407 3.531 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(OCC)c1 466396268 OKKKPEZULRBZLH-LBPRGKRZSA-N 262.353 3.562 30 20 CHED C[C@H](N[C@H](C)CCC1CC1)c1ccc(C#N)c(F)c1 469808012 JPDCSDXZRSWGAT-NEPJUHHUSA-N 260.356 3.927 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(C(C)(C)C#N)cc1 281440207 CKZUYYCCUOGVQW-XJKSGUPXSA-N 284.403 3.748 30 20 CHED C=C[C@H](C)NC(=O)C1(c2ccc(F)cc2)CCCCC1 465153578 WMYJWOVSHGLPJX-ZDUSSCGKSA-N 275.367 3.718 30 20 CHED C=C[C@H](CC(=O)NC(C)(C)C(C)C)c1ccccc1 550522378 DKADNRZMQYGCQI-CQSZACIVSA-N 259.393 3.897 30 20 CHED CCOc1cc(NC(=O)Nc2ccc(C#N)cc2)ccc1C 551036876 WDXQBQYUKOFVAC-UHFFFAOYSA-N 295.342 3.909 30 20 CHED CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1nc(C)cs1 287901286 NYFCNAUKPJWLDD-SSDOTTSWSA-N 298.824 3.996 30 20 CHED C=C(C)COc1cccc(NC2CCN(CC)CC2)c1 461826639 IQJUSVYGUKHHAC-UHFFFAOYSA-N 274.408 3.538 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)c(OC)cc1C 467901999 YVUUXZWCRSXXSI-HNNXBMFYSA-N 265.328 3.684 30 20 CHED C=C[C@H](C)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 465148203 RBMUTEDQXSFVOU-NSHDSACASA-N 264.328 3.625 30 20 CHED CC(C)(C#N)CC(=O)Oc1cnc2ccc(Cl)cc2c1 286760668 ICRCOOVAYJLQDZ-UHFFFAOYSA-N 288.734 3.733 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccccc1C 281711651 TYYIYAUYFSPGBJ-LSDHHAIUSA-N 274.408 3.656 30 20 CHED C=CCCCC[C@@H](C)N[C@@H]1COCc2ccccc21 550940335 UTYOBGLCNPEUAD-RHSMWYFYSA-N 259.393 3.982 30 20 CHED CN(CCSC(C)(C)C)Cc1ccc(C#N)cc1 801911211 VSJAHDFSJYRDPU-UHFFFAOYSA-N 262.422 3.522 30 20 CHED C#C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(C)(C)C 807882754 ZHDQFDLTJIOACR-AWEZNQCLSA-N 288.778 3.599 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(-c2cnn(C)c2)s1 800794871 SJATXOZCOVIDKI-HWKANZROSA-N 298.367 3.946 30 20 CHED C#C[C@H](C)N[C@H](C)CCc1ccc(OC/C=C/C)cc1 809684339 ZDHKZYZJXKFARR-HRNFOAQLSA-N 271.404 3.574 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CCOC)[C@H]1CC[C@@H](C)C1 479756247 ZRWBNDKGNNTUCY-PMPSAXMXSA-N 296.455 3.578 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H]1c1cccc(C)c1)C(C)(C)C 808316101 FKJYRHNUHVGTIG-IRXDYDNUSA-N 298.430 3.889 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H]2CCCCC2(F)F)c1 296494511 XUKLOVMPBXXEGI-ZDUSSCGKSA-N 292.329 3.615 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCC34CCCC4)CC2)c1 556598812 AHTVSILVKNSXAX-INIZCTEOSA-N 266.388 3.860 30 20 CHED Oc1ccccc1C=Nc1ccc(OC(F)F)cc1F 800790673 REHAUWKQFAFMNN-UHFFFAOYSA-N 281.233 3.883 30 20 CHED C#Cc1ccc(CNc2cc3c(cc2Cl)OCCO3)cc1 809630456 CCBHSYUKMQOIPC-UHFFFAOYSA-N 299.757 3.705 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 294332018 KUMVMGYDKRZAEJ-BJJXKVORSA-N 270.376 3.562 30 20 CHED Cc1cc(F)ccc1Cc1noc(-c2cc(C#N)oc2C)n1 564275564 XPVSNWKDKQBPNJ-UHFFFAOYSA-N 297.289 3.548 30 20 CHED C/C=C/c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 566696090 LMURWSGPIKYQRW-NSCUHMNNSA-N 292.338 3.609 30 20 CHED CC(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)CCC#N 808093578 QNEWAMGMKNBFHN-UHFFFAOYSA-N 289.335 3.539 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C)c1cnccn1 299268801 LYAMQIZIVQVFAQ-CQSZACIVSA-N 259.397 3.606 30 20 CHED C=CCCCOC(=O)[C@H](C)Cc1cncc2ccccc12 805683612 MSFQXZWBTASBQX-CQSZACIVSA-N 283.371 3.923 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2CCCCS2)CCCC1(C)C 470278568 GCMXLROPFNJNPK-ZIAGYGMSSA-N 281.465 3.865 30 20 CHED CCCN(CCN1CCCCC1)[C@H](C)c1ccc(C#N)cc1 561934413 BJCINLHTVPLLGM-QGZVFWFLSA-N 299.462 3.817 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H](F)c2ccccc2)cc1 803378641 SRNNNZMANNNLAD-QGZVFWFLSA-N 299.345 3.578 30 20 CHED CCCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 569972190 AALZCJVQIAHFOK-KGLIPLIRSA-N 287.407 3.839 30 20 CHED C=CCn1c(S[C@@H](C)CCC)nc2sccc2c1=O 481233121 MJSHKBZWWZEJHZ-JTQLQIEISA-N 294.445 3.925 30 20 CHED CC[C@H](C)NN=C1CC[C@H](c2ccccc2)C[C@@H]1OC 814912961 DMQDYISUOOYPAN-QRTARXTBSA-N 274.408 3.713 30 20 CHED C=CCC(F)(F)C(=O)N1CC2(CCC2)c2c(F)cccc21 815245224 XMVVEIOBEZGVIF-UHFFFAOYSA-N 295.304 3.805 30 20 CHED CCCCn1nc(C)c(C=NOC/C=C\Cl)c1Cl 811670506 UHNOLVIQHFVPJH-LYYFNFRQSA-N 290.194 3.748 30 20 CHED CCOc1ccc(NN=Cc2cc(C)ccc2OC)cc1 814984734 GNRHTVVJRGCSRT-UHFFFAOYSA-N 284.359 3.848 30 20 CHED C=CCN(Cc1ccc(CO)cc1)CC1CCCCC1 489231562 KKSZVBNOTHXIPH-UHFFFAOYSA-N 273.420 3.747 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CSCc1cccc(C)c1 488842575 KQBAYRCOEHYBFV-MRXNPFEDSA-N 289.444 3.795 30 20 CHED Cc1c(Cl)cccc1NC(=S)NN=C1CC(C)C1 814721310 CFHIRMHEBOCVLS-UHFFFAOYSA-N 281.812 3.721 30 20 CHED CCC(=NNC(=S)Nc1ccccc1F)c1ccco1 814713087 ZLOSMDNVDOHDCH-UHFFFAOYSA-N 291.351 3.519 30 20 CHED C=CCC(F)(F)C(=O)N1CCC(c2ccccc2)CC1 814876212 NOGYCPJDQAWFPA-UHFFFAOYSA-N 279.330 3.604 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 489933792 LDPBQDQMOZTCCP-LSDHHAIUSA-N 281.440 3.546 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNC[C@@H]2CCSC2)C1 811662891 WRSCLLFFUDGGAH-MCIONIFRSA-N 254.443 3.531 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N[C@H](C#N)C(C)C 489812871 UCSFHNFPTLEQQU-OFQRWUPVSA-N 284.403 3.640 30 20 CHED FC(F)(F)c1cscc1C=NOCc1cccnc1 811645441 LYBCGMJBJZHZJD-UHFFFAOYSA-N 286.278 3.713 30 20 CHED CO[C@@](C)(C=NNc1cccc(Br)c1)C1CC1 814787114 VZBCFVDMBZLLAO-ZDUSSCGKSA-N 297.196 3.662 30 20 CHED C/C(=C\C(=O)N[C@]1(C#N)CC1(C)C)c1ccccc1Cl 813302513 ALXSDXUVODZBQO-KXKDPZRNSA-N 288.778 3.552 30 20 CHED COc1cccc(/C=N/[C@H]2C[C@H](c3ccc(F)cc3)C2)c1O 814183007 BQCZNXQHDQSXOT-GOUKUYRYSA-N 299.345 3.905 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNC[C@H]1CCSC1 811660871 WCNGPHDCLAQGDB-VXGBXAGGSA-N 254.443 3.531 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CC[C@@H]1C1CC1 814921988 OEKLRWVVBBYNSM-SNVBAGLBSA-N 278.787 3.841 30 20 CHED C=CCCCCCCCCNC1C[C@@H]2CC[C@H](C1)N2 817930691 FNQNIUJWRVNBOR-SJPCQFCGSA-N 264.457 3.776 30 20 CHED Clc1ccc(C#CCNc2cccc3c2CCO3)cc1 480306930 UOZOLFKNFLVLRC-UHFFFAOYSA-N 283.758 3.739 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 579667576 PGOXMZIOCBTPJM-OOVXXXAESA-N 298.777 3.811 30 20 CHED C=CCCNCc1c(Cl)cccc1OC(F)F 657583007 SJNLXYDVRKMXDU-UHFFFAOYSA-N 261.699 3.607 30 20 CHED CCCN(CC1CCCCC1)c1cccc(C#N)n1 571004522 YEGGYTFFOOXWQZ-UHFFFAOYSA-N 257.381 3.750 30 20 CHED Fc1cccc2c1CCC2=NNCCCOc1ccccc1 729147418 ANDBRGFXTGXCSS-UHFFFAOYSA-N 298.361 3.535 30 20 CHED C=CCCN(C[C@@H]1C[C@H]2CC[C@H]1O2)OCc1ccccc1 829107841 UEAKOZVTCRLPOO-RCCFBDPRSA-N 287.403 3.564 30 20 CHED Cc1cc(S[C@@H]2C[C@@H](C)CCC2=O)ccc1C#N 578323009 WUOLYURLGCQNSW-ZUZCIYMTSA-N 259.374 3.717 30 20 CHED CC/C(C)=C/C(=O)N(CCC#N)c1ccc(C)cc1 822836863 MUVCNCLADWZVNO-OUKQBFOZSA-N 256.349 3.598 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cn1 728798099 FJQZVHHKDCCMHX-UHFFFAOYSA-N 291.137 3.622 30 20 CHED C=CCC1(NC(=O)Nc2cccc(OC)c2)CCCC1 664404935 YLKNVAZQWGVKIE-UHFFFAOYSA-N 274.364 3.706 30 20 CHED C=C(Br)CN[C@H](C)Cc1coc2ccccc12 823818773 SBFNPFFRAOGQSI-LLVKDONJSA-N 294.192 3.862 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)CCO3)ccc1O 728232805 WXVNBTUXRPACIK-DJWKRKHSSA-N 280.323 3.532 30 20 CHED C/C=C/C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 728005433 KRWFWGNAWVIIQB-DUXPYHPUSA-N 292.338 3.652 30 20 CHED CCC[C@H]1CCCCN1C(=O)CCCCCC#N 588677973 OWWFYPRNCAYXIO-AWEZNQCLSA-N 250.386 3.642 30 20 CHED C=C(C)CCNCc1cnn(Cc2ccccc2)c1Cl 824751509 YSUDIPKOHULRJK-UHFFFAOYSA-N 289.810 3.641 30 20 CHED N#Cc1sccc1C(=O)OCCCCC1(C#N)CCC1 909499885 RIACRMFGMBYZQG-UHFFFAOYSA-N 288.372 3.641 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)cn1 730748217 MWZHWNUEHVMRDJ-GJZGRUSLSA-N 299.418 3.536 30 20 CHED CCCCCCCCS(=O)(=O)C/C=C\Cl 906052951 FAIIXCNFKCXQPK-HJWRWDBZSA-N 252.807 3.514 30 20 CHED C=CC[C@H](NC(=O)Nc1cccc(F)c1)c1ccncc1 734515551 MXRPQMURBZWSIP-HNNXBMFYSA-N 285.322 3.660 30 20 CHED CCc1ccc(C(=O)/C=C\c2nc(C)c(C)[nH]2)s1 901444307 WRJCBVOEQYPMDD-VURMDHGXSA-N 260.362 3.547 30 20 CHED C=CCCNC(=O)Nc1cc(-c2nc(C)co2)ccc1C 666333858 RBPRBDBWCOUGKP-UHFFFAOYSA-N 285.347 3.656 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 491494222 BGGBQQSWQGJYIY-QMMMGPOBSA-N 295.169 3.568 30 20 CHED CCOc1cccc(/C=C\C(=O)c2cncc(C)c2)c1 588476555 MMQKOJLFVMRBOL-FPLPWBNLSA-N 267.328 3.685 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(C)c(N2CCNC2=O)c1 494475201 LXKWYLUMMXHQPB-JSGCOSHPSA-N 287.407 3.537 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)s1 731156792 MDTLWYFJOUUYFR-AATRIKPKSA-N 292.381 3.966 30 20 CHED C=CC[C@@H](NC(=O)c1cc(C)cc(C)c1)c1ccncc1 734235109 DSGOMXSCUAHHHC-QGZVFWFLSA-N 280.371 3.746 30 20 CHED C#CCC1(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)CCCCC1 836887209 ZLPVHRFVZRZHBA-IAGOWNOFSA-N 285.431 3.607 30 20 CHED C#Cc1cccc(NC(=O)/C=C/C2CCCCC2)c1 735426305 VZUIGCMMUONBIF-VAWYXSNFSA-N 253.345 3.743 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 839038064 BGGPCIRAUBAULB-DLOVCJGASA-N 296.288 3.553 30 20 CHED CCn1nccc1/C=C\C(=O)c1csc(Cl)c1 588558783 FQKSGYDMGZTZKT-ARJAWSKDSA-N 266.753 3.514 30 20 CHED C=C(CC)COc1cccc(N=S2(=O)CCCC2)c1 902484461 VJUHTFOLWHDGJD-UHFFFAOYSA-N 279.405 3.925 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1ccc(F)cc1Cl 834996722 VRAJBRNNCTUCGE-SSDOTTSWSA-N 282.668 3.744 30 20 CHED C[C@H](Cc1ccsc1)Nc1cccc(OCC#N)c1 689976379 OJBIYJWEHIUODG-GFCCVEGCSA-N 272.373 3.694 30 20 CHED CCc1ccc(CC/N=C\c2cccc(OC)c2O)cc1 735978533 HPFOHWSUJIRMFH-UYRXBGFRSA-N 283.371 3.625 30 20 CHED C=CCCOCC(=O)O[C@@H]1CCC[C@@H]1c1ccc(C)cc1 734085453 BKSIJWNHSVHXRJ-IAGOWNOFSA-N 288.387 3.767 30 20 CHED C[C@]1(C=NNc2cc(Cl)ccc2[N+](=O)[O-])CCCS1 835009558 VNMZTWSJQWWEMC-GFCCVEGCSA-N 299.783 3.932 30 20 CHED C=C(C)CNc1cc(C(F)(F)F)ccc1OCCOC 913069544 NWUXYTKEXJXKCQ-UHFFFAOYSA-N 289.297 3.719 30 20 CHED C/C(=C(/F)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CC1 911313808 SKFPFQSQYJJJGF-COOUDCDJSA-N 286.350 3.731 30 20 CHED CC/C=C\CCOC(=O)CSCc1ccc(C#N)cc1 918507859 RHNARILHDGNKNN-ARJAWSKDSA-N 289.400 3.691 30 20 CHED COc1cccc2cc(C=NNc3ccccc3)oc12 916247299 OCNBWTCLVYBJOJ-UHFFFAOYSA-N 266.300 3.887 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)C(=O)OC3)CCCCC1 832826441 GOWKTLWCFQPGBP-UHFFFAOYSA-N 299.370 3.822 30 20 CHED Cn1ncc(C#N)c1NC1CCC(c2ccc(F)cc2)CC1 596190491 TXGLJDCDRIKJNH-UHFFFAOYSA-N 298.365 3.569 30 20 CHED C=C(CNC(=O)Nc1cc(F)ccc1C)c1ccccc1 672599287 LMXIQPXLCNUMBX-UHFFFAOYSA-N 284.334 3.969 30 20 CHED C[C@@H]1C/C(=C\c2ccc(C(=O)O)o2)C(=O)c2ccccc21 833585620 AOYVKXHFJYBWCV-OYVNLZQHSA-N 282.295 3.751 30 20 CHED CCCCCCCCOCC(=O)N(C)c1nc(C)cs1 741537901 AEOSBVPMWQUPMB-UHFFFAOYSA-N 298.452 3.791 30 20 CHED CC(C)CON=Cc1cnn(Cc2ccccc2Cl)c1 749630980 FDNNQNGBIVTMCK-UHFFFAOYSA-N 291.782 3.591 30 20 CHED N#CCc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)cc1 595785337 DPGRSWNQPTZAEL-RBUKOAKNSA-N 298.430 3.534 30 20 CHED C=C(C)CON=C1CC(c2cc(F)cc(F)c2)C1 844619410 DFNQZXBUEYXVMK-UHFFFAOYSA-N 251.276 3.791 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 593420931 UFGDTLTYGZRFNR-HNNXBMFYSA-N 292.382 3.881 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc(OC)c1C 598835838 XFVVPPQOANQOPU-UHFFFAOYSA-N 288.391 3.548 30 20 CHED COc1ccc([C@H](C)NCc2cc(C#N)ccc2F)c(C)c1 840729598 NQPXKJYXCRFSNO-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED FC1(F)CCC(=NNc2cnc3ccccc3n2)CC1 842525971 FOLUTZKLMJPKLC-UHFFFAOYSA-N 276.290 3.607 30 20 CHED CCCCCCCCN1CCC([C@@H]2NC(=O)C2(C)C)CC1 846928950 JDMRXICCMWSBMK-INIZCTEOSA-N 294.483 3.584 30 20 CHED Cc1cccc(NC(=S)N2CCC[C@H](CC#N)C2)c1C 849271482 LDCKOZNURCVKDD-CQSZACIVSA-N 287.432 3.626 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1ccc(C#N)cc1 595058181 YYPWZVHXKBZHKX-IBGZPJMESA-N 289.382 3.713 30 20 CHED COc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1F 749744898 BJOXONLKGZPERI-CHHVJCJISA-N 288.249 3.590 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](OC(=O)c2ccc(C#N)cc2)C1 744214446 KEGOYONLTMYAMI-JYAVWHMHSA-N 257.333 3.540 30 20 CHED CC(C)[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 597546415 RGJFQGRMIJEPLY-HNNXBMFYSA-N 276.424 3.745 30 20 CHED N#C[C@H](C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc2ccccc2n1 845438177 KXVXLUNNJIXAEN-XHSDSOJGSA-N 290.366 3.847 30 20 CHED N#CCn1c(C(=O)OCc2ccsc2)cc2ccccc21 744237389 NLQDGQCRWXKPPN-UHFFFAOYSA-N 296.351 3.583 30 20 CHED C=CC1CCN(C(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 599677065 LNCKNCZHZJOZOV-XJKSGUPXSA-N 287.403 3.760 30 20 CHED C=CC1CCN(Cn2cc(C(C)C)n(C)c2=S)CC1 747457449 VELPRPUESAGRJR-UHFFFAOYSA-N 279.453 3.535 30 20 CHED CC/C(=C/C(=O)N(C)[C@@H](C#N)CC)c1ccc(C)cc1 847168016 KVQHKTRVXWQHPR-SYCZXOQXSA-N 270.376 3.549 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)/C=C/C1CCCC1 843565120 NQZDHYXMDOFZTQ-TZZQJPOUSA-N 296.414 3.764 30 20 CHED Cc1ccc(NN=Cc2ccc(C)c([N+](=O)[O-])c2)cc1 916250121 KVVNIZBBSZHNNK-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1ccccc1F 597063177 GXBQDKRXDHUQIN-UHFFFAOYSA-N 274.339 3.653 30 20 CHED COc1cccc(NN=Cc2cc(C)cc(C)c2)c1 921258251 BTTQKRLFZAPOEB-UHFFFAOYSA-N 254.333 3.758 30 20 CHED C[C@@H]1c2ccsc2CCN1CCc1ccc(C#N)cc1 595287835 NGQFLTKQJIUPOB-CYBMUJFWSA-N 282.412 3.782 30 20 CHED CN(C)Cc1ccc(-c2ccc(OCCC#N)cc2)cc1F 592986382 GZAODPXLQMHODA-UHFFFAOYSA-N 298.361 3.847 30 20 CHED FC(F)(F)c1ccc(NN=Cc2cscn2)cc1 746579768 XLOCJHRMJPOQQL-UHFFFAOYSA-N 271.267 3.608 30 20 CHED N#CC1(CCONC(=N)Cc2cccs2)CCCCC1 842028102 MVSBHLUCOZWIHC-UHFFFAOYSA-N 291.420 3.653 30 20 CHED Fc1ccccc1CCNN=Cc1coc2ccccc12 746578429 NBTNRMMLPNXKAF-UHFFFAOYSA-N 282.318 3.738 30 20 CHED CN(C)CCc1ccc(-c2ccc(OCCC#N)cc2)cc1 593953661 PVZDROSVUCNYIG-UHFFFAOYSA-N 294.398 3.750 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C2CCCCCCC2)C1 741696747 RLFYYICRBISSIY-PBHICJAKSA-N 276.424 3.936 30 20 CHED CCC(C)(C)CCOC(=O)/C=C/c1ccccc1C#N 744341974 ILWMECDVEUSQTD-MDZDMXLPSA-N 271.360 3.941 30 20 CHED N#Cc1ccc(N(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C2CCC2)cc1 598887486 VGXGZRKUPWOTFO-PIIMJCKOSA-N 294.398 3.880 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H]2CCCC[C@@H]2C)c1 920235291 QQSVOUWEUJPESH-ZFWWWQNUSA-N 270.376 3.616 30 20 CHED N#Cc1csc(C=NNc2ccccc2Cl)c1 748075501 UCTUTLXREPOEKP-UHFFFAOYSA-N 261.737 3.719 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccccc1OCCC(C)C 847207493 STYPPKNRAFUYTH-AWEZNQCLSA-N 288.391 3.597 30 20 CHED CCCCCCCCNC(=O)N1CCS[C@@H](C)CC1 755272143 VXFNYSBXWPEIMV-AWEZNQCLSA-N 286.485 3.884 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H](CCC#N)c1ccccc1 925602252 SNDKTSCQDHLZAT-ZBFHGGJFSA-N 269.392 3.949 30 20 CHED C#CC[C@@H](NC(=O)NC(C)(C)CCC=C)c1ccccc1 853910138 HYDRPHJMJDJUBE-MRXNPFEDSA-N 284.403 3.795 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1ccc(Cl)cc1 921151220 KIZGKXWSVMIRGK-LBPRGKRZSA-N 281.783 3.674 30 20 CHED C#CCCCCNC(=O)/C=C/c1ccccc1O[C@@H](C)CC 758636666 NICBHEKJDWVVQM-VUSFMPOISA-N 299.414 3.797 30 20 CHED C#CCOc1ccccc1CNC[C@@H](C)c1cccc(F)c1 921070315 UFMVFOKFDBHPPJ-OAHLLOKOSA-N 297.373 3.731 30 20 CHED Cc1c(C(=O)OCCCCC#N)oc2ccccc12 752626477 CWNZWDMBXSNPQQ-UHFFFAOYSA-N 257.289 3.592 30 20 CHED COc1cc(C(=O)/C=C\c2c(C)cccc2C)ccc1O 755579053 KQLYQOFLJSTBRC-NTMALXAHSA-N 282.339 3.914 30 20 CHED CCOc1cccc(/C=N\C[C@@H]2CC=CCC2)c1O 920990746 BCGDLWRVSHHCMI-KAECEXQPSA-N 259.349 3.566 30 20 CHED C=CCC1(NC(=O)C[C@H](C)CCCCC)CCOCC1 855685645 CCFOFULWQZRWOO-OAHLLOKOSA-N 281.440 3.834 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccc(Br)cc1 758372572 OJPMTPYUQZIVIR-RKDXNWHRSA-N 253.143 3.503 30 20 CHED C[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1c(F)cccc1F 851207706 GHZNTUJTGCDJCO-MNOVXSKESA-N 295.329 3.940 30 20 CHED CC(C)CN(CCC#N)C(=O)CCc1ccc(Cl)s1 751380874 PTSNDUANLCEKHS-UHFFFAOYSA-N 298.839 3.732 30 20 CHED Cc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1 921263945 LQEWDQZLRHQEBX-LCYFTJDESA-N 252.288 3.957 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cc(F)c(O)c(F)c2)c1 757476820 SZFLSHIZVUCDBG-HWKANZROSA-N 290.265 3.581 30 20 CHED C#Cc1cccc(NCCCc2cccc(OC)c2)c1 759769646 WRVRZRNDXWMOPP-UHFFFAOYSA-N 265.356 3.721 30 20 CHED COC[C@@H](C#N)OC(=O)C1(C2CCCCC2)CCCCC1 857067995 UNUUPTUFQHPKSA-OAHLLOKOSA-N 293.407 3.599 30 20 CHED C#C[C@@](C)(CC)N[C@@H](C)c1nc2ccccc2n1C(F)F 852101512 QDJZDXYTWWJUKF-ZBEGNZNMSA-N 291.345 3.884 30 20 CHED Cc1ccccc1-c1cccc(C=NNC2CC2)c1 758129578 NTBLNPMOKWVVCA-UHFFFAOYSA-N 250.345 3.748 30 20 CHED CCCCCCCCC(=O)Nc1ccn(CC)n1 855557535 HUNFVTXGZIHUKR-UHFFFAOYSA-N 251.374 3.592 30 20 CHED COc1ccc(O)c(C(C)=NNc2cc(C)ccc2F)c1 759664776 NCYUISRFJWVMFF-UHFFFAOYSA-N 288.322 3.684 30 20 CHED C=CCCNC(=O)N[C@H](C)c1csc2ccccc12 852072411 YPUNIOJCVBRGOD-LLVKDONJSA-N 274.389 3.838 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 920790439 YKHXXPUGBWUPFG-IIAWOOMASA-N 298.386 3.550 30 20 CHED C=CCCONC(=O)c1cc(Cl)ccc1SCC 856033014 VUTLHCMOQYHOQC-UHFFFAOYSA-N 285.796 3.690 30 20 CHED C=C(Cl)CSCCC(=O)Nc1cccc(F)c1C 853782797 ALSGKHSGDRXLJB-UHFFFAOYSA-N 287.787 3.948 30 20 CHED CC/C(=C/C(=O)N[C@H](C#N)C(C)(C)C)c1ccc(C)cc1 754391546 JXLAKQOOCJABFR-SYCZXOQXSA-N 284.403 3.843 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1cc(F)cc(F)c1O 757475066 GMNHCVQKYOBUGU-RQOWECAXSA-N 296.219 3.845 30 20 CHED FC(F)(F)C(=NOC/C=C/Cl)c1ccccc1 751956181 ZGGPBRLUDCDEOX-JEVKGGJXSA-N 263.646 3.722 30 20 CHED CCCn1nc(C)c(-c2ccc([C@@H](C#N)OC)cc2)c1C 854195211 AYYYKLFIAYQBQD-MRXNPFEDSA-N 283.375 3.788 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CC[C@H](C)C3)[nH]c12 759554757 KDUQUXBKMOTSER-FPMFFAJLSA-N 295.386 3.874 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OCCC)cc2)CC1 930651238 XXYYKSIEBAFFMJ-UHFFFAOYSA-N 274.364 3.659 30 20 CHED CC[C@@H](C)N(CC)C(=O)Nc1cccc(C#N)c1C 930458519 OYWXGTRXVUKHAF-LLVKDONJSA-N 259.353 3.519 30 20 CHED C#CCCCCNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 758631863 QDBSYOQJOONOFF-LSDHHAIUSA-N 263.425 3.759 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H]1c1cccc(F)c1 933773772 QSJXBQFWPJYFRB-WFASDCNBSA-N 261.340 3.701 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@@H](CC(C)C)C1)c1ccccc1 757059889 YAGZBOSGBLYBLK-FUHWJXTLSA-N 298.430 3.829 30 20 CHED Cc1ccc(F)c(NN=Cc2cc(C)n(C)c2C)c1 754964444 NUPZSMLTAMJHLW-UHFFFAOYSA-N 259.328 3.535 30 20 CHED COCC(CC(C)C)=NNc1cc(C)ccc1F 759654126 ZXKDOBTWLQRFCG-UHFFFAOYSA-N 252.333 3.595 30 20 CHED C=C[C@H](CC)CC(=O)NC1(c2ccc(F)cc2)CC1 932003881 XYIAQDPYEMWAHH-GFCCVEGCSA-N 261.340 3.533 30 20 CHED C#C[C@H](OC(=O)C[C@H]1C=CCC1)c1ccc(C)cc1 860965053 CBBRRTRGCOLMIH-HOCLYGCPSA-N 254.329 3.569 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 767099870 LDAUXTVFQXQQMP-HNNXBMFYSA-N 275.436 3.855 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ncnc3ccsc23)o1 764841644 SYDDRGKNNQDIQV-ONGXEEELSA-N 298.371 3.854 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(Cl)c3cccnc23)C1 932159128 VFTWBHRKCUIYTM-LBPRGKRZSA-N 285.778 3.624 30 20 CHED O=C(/C=C\c1nc2ccc(F)cc2s1)c1cncs1 761474892 ADSDVQFTFFAJFL-ARJAWSKDSA-N 290.344 3.788 30 20 CHED O=C1/C(=C\c2cccc(-n3cccn3)c2)Cc2ccccc21 760263553 GCMRKKMSVNWMPY-WJDWOHSUSA-N 286.334 3.695 30 20 CHED COCCON=CCCCc1cccc(C(F)(F)F)c1 769791397 OTSUOJXNRAEGPJ-UHFFFAOYSA-N 289.297 3.677 30 20 CHED C#CCOc1ccc([C@H](C)NCCc2cccs2)cc1 764583522 AOQQWCQKLCMGEM-AWEZNQCLSA-N 285.412 3.653 30 20 CHED CCC(C[C@H](C)CC)=NNC(=S)Nc1ccccn1 767805586 GAVFPBQFCDDCFL-LLVKDONJSA-N 278.425 3.570 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H](OC(C)=O)C1 765066105 NHTLRCRUDUVYBP-INIZCTEOSA-N 297.439 3.681 30 20 CHED N#CC1(OC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CCC1 762094455 KAXHJOAHHZHTFE-SJORKVTESA-N 291.350 3.933 30 20 CHED C=CCCC(=O)COC(=O)c1cc2cc(F)ccc2s1 761358879 KORXJAYSBQXHRN-UHFFFAOYSA-N 292.331 3.733 30 20 CHED C[C@@H](N(C)Cc1ccc(N(C)CCC#N)cc1)C(C)(C)C 768543428 JHASXOOLQJPLAK-OAHLLOKOSA-N 287.451 3.903 30 20 CHED COc1ccnc(CSCc2ccc(C#N)cc2C)c1 1116663460 XEZALJPGGDXJIS-UHFFFAOYSA-N 284.384 3.704 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)OCc1cc(F)ccc1C#N 769168955 CWKRJLTXEXYGTR-RYUDHWBXSA-N 275.323 3.567 30 20 CHED N#Cc1cccc(NC(=O)c2cc(Cl)sc2Cl)n1 1526552443 FDRKDMKHYYQHHP-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C=CC[C@@H](CC)NCc1ccc(-c2cnn(C)c2)cc1 1116901430 GMUNLBKLMOZHJH-QGZVFWFLSA-N 269.392 3.531 30 20 CHED CC(C)(C#N)CCOC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 776396415 RPUNIWYUJRDAGV-QJRTVWDNSA-N 293.382 3.778 30 20 CHED C=C[C@@H](CC)OC(=O)c1ccc2nc(C(F)F)[nH]c2c1 776109727 QEGOPQXCESUFJJ-VIFPVBQESA-N 280.274 3.622 30 20 CHED C=C(CN[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1 775383011 SRFVTNOOAWNRBS-BZUAXINKSA-N 291.485 3.669 30 20 CHED CC(=O)[C@@](C#N)(CCN1CCCC[C@H](C)C1)c1ccccc1 878452459 UWCLLQUUIXOKRO-LPHOPBHVSA-N 298.430 3.549 30 20 CHED N#Cc1ccc(OCCc2ccccc2)cc1Cl 61855457 BFAHAYBHQJGSOF-UHFFFAOYSA-N 257.720 3.833 30 20 CHED CCCCCC[C@H](C)NC(=O)Cc1ccccc1CC#N 777289784 GUMABZPUKIMQCB-HNNXBMFYSA-N 286.419 3.770 30 20 CHED CC/C(=C\C(=O)OCC1(C#N)CC1)c1cccc(Cl)c1 775863490 ZDNHLJDYQRBABJ-FMIVXFBMSA-N 289.762 3.980 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)o1 774593458 ODASZGMANSVOJV-FUQNVFFISA-N 258.365 3.515 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccnc2N(C)C)cc1C 1117391840 MWBYPOGMUFIUGI-KTKRTIGZSA-N 280.371 3.661 30 20 CHED N#Cc1ccc(OCCCOC(=O)C[C@H]2C=CCCC2)cc1 778390725 BUDOCRJRVAYJFQ-HNNXBMFYSA-N 299.370 3.617 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(OCC#N)cc1 1117820086 YDJWYECAZIBZAL-CZUORRHYSA-N 286.375 3.744 30 20 CHED CCCc1ncc(-c2nnc(-c3cccc(C#N)c3)o2)s1 1117231284 DCHMXGOBKPBRJS-UHFFFAOYSA-N 296.355 3.684 30 20 CHED Cc1ccc([C@H](NCC2(C#N)CC2)c2ccccc2)cc1 775978024 QLMVSGQPFMWSSW-GOSISDBHSA-N 276.383 3.978 30 20 CHED Cc1cccc(/C=C\C(=O)c2cscn2)c1OC(F)F 777920445 OCVICGFTOQBCHB-WAYWQWQTSA-N 295.310 3.949 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C)c1ccc[nH]1)c1ccccc1 777761815 BBBZKBTZSWKBNX-ZBFHGGJFSA-N 282.387 3.942 30 20 CHED CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1/N=C/c1ccccc1O 770569200 RTKUULUYYNTXFS-YCFMPZMOSA-N 275.392 3.651 30 20 CHED C[C@H](C#N)N(C)C(=O)c1ccc2c(c1)oc1ccccc12 1129309479 OFJBEFXHFNLSMJ-LLVKDONJSA-N 278.311 3.570 30 20 CHED C=C(CC)COC(=O)[C@H](CC)c1ccc(OC)cc1 775944885 FBHXMLNAASMTNU-OAHLLOKOSA-N 262.349 3.698 30 20 CHED CCC1(c2noc(Cc3ccccc3CC#N)n2)CCCC1 771716495 FMKQBTBCNUHYPM-UHFFFAOYSA-N 295.386 3.948 30 20 CHED C=C(C)[C@@H](NC(=O)/C=C\SC)c1ccc(F)c(F)c1 772328300 PIMXEHVZFJFUDY-LMVHVUTASA-N 283.343 3.575 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)CCc2ccc(Cl)c(F)c2)C1 1122655390 KRMHBTRPJOLBAS-NEPJUHHUSA-N 295.741 3.647 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc2ncccc2c1 785760445 BYEQQIHUEYHDBZ-KRWDZBQOSA-N 269.344 3.880 30 20 CHED C=CC1CCN(C(=O)c2ccccc2-c2ccncc2)CC1 888910357 YGANNEFRCGQOLA-UHFFFAOYSA-N 292.382 3.787 30 20 CHED CCOc1ccc(C=NNC2CCCCC2)cc1OCC 786039560 FFEFADGZLYSXAQ-UHFFFAOYSA-N 290.407 3.740 30 20 CHED C#CCCCCCC(=O)OCCOc1cccc(C)c1 780254770 FLYLTKUVYOTCPP-UHFFFAOYSA-N 274.360 3.501 30 20 CHED CC[C@H](C#N)OC(=O)c1cccnc1Sc1ccccc1 781130968 CBBVTILWMYKEHH-GFCCVEGCSA-N 298.367 3.692 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cc2ccccc2o1 782288921 SZFQGWWNQNERBR-HNNXBMFYSA-N 256.349 3.935 30 20 CHED COc1cc(NN=Cc2cnn(C(C)C)c2)ccc1Cl 788467310 JLTMSTWDNOTAKN-UHFFFAOYSA-N 292.770 3.572 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccnc2)c(Cl)c1 788359651 QJLLMBPOYCYRCP-XQRVVYSFSA-N 268.703 3.503 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 783718016 NBVYYFGMUHADRQ-SFHVURJKSA-N 299.462 3.904 30 20 CHED Clc1ccnc(NN=Cc2cc3ccccc3[nH]2)c1 788440029 ZXDZDWLGXBDBSM-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CCc1ccccc1COC(=O)CCc1ccc(C#N)cc1 782250903 YYGSQZLBCVRFFW-UHFFFAOYSA-N 293.366 3.797 30 20 CHED N#Cc1cccc2c1CCN2CCSC1CCCCC1 1460269518 FOVZUBVTFAFTHH-UHFFFAOYSA-N 286.444 3.987 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NN1Cc2ccccc2C1=O 781598667 KQCKXWIPJSAULO-CZUORRHYSA-N 268.360 3.621 30 20 CHED N#Cc1ccc(NCCC2CCC(F)(F)CC2)c(CO)c1 897245662 FYAIKRWNJOLQSI-UHFFFAOYSA-N 294.345 3.678 30 20 CHED C[C@H](c1ccccc1Cl)N(C)CCCSCC#N 74981957 YDIVIYKKMUXYEG-GFCCVEGCSA-N 282.840 3.980 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C\c1cccc(O)c1 781072404 FYYNANUOBPXEBA-QXMHVHEDSA-N 293.366 3.620 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2NCc2ccc(C#N)cn2)cc1 783301473 WXQGWWQQLOMPNO-MOPGFXCFSA-N 291.398 3.688 30 20 CHED CCCCCC[C@@H]1CCCC1=NN[C@@H]1CCCOC1 780262719 PTOZNBAWDNFVHP-HUUCEWRRSA-N 266.429 3.882 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc(NC(=O)C2CC2)cc1 892535813 IKZBZPJEHSBHKL-UHFFFAOYSA-N 287.359 3.543 30 20 CHED CC(=NNCCC(F)(F)F)c1coc2ccccc12 794553321 PZNRVBDCPDYFHU-UHFFFAOYSA-N 270.254 3.699 30 20 CHED C#CCN(C(=O)CCC[C@@H](C)c1cccc(OC)c1)C1CC1 790022320 FRHJUEHASOPMLG-OAHLLOKOSA-N 299.414 3.593 30 20 CHED C=CCN(C(=O)CC1CC(c2ccccc2)C1)C(C)C 798388784 SNSAZXGCUAMSHD-UHFFFAOYSA-N 271.404 3.993 30 20 CHED C=CCCN(C)c1ccc(C(F)(F)F)c(C#N)c1 385431118 MTDNZGSDBXAVHX-UHFFFAOYSA-N 254.255 3.589 30 20 CHED C=CCCCCC[C@H](C)NCC1CCN(C2CC2)CC1 793569608 WFCRRXCTLXVMTI-INIZCTEOSA-N 278.484 3.975 30 20 CHED C=CCCCCC[C@@H](C)NCc1cccc(-n2cncn2)c1 793541136 MHXKJLYBINGIFT-MRXNPFEDSA-N 298.434 3.882 30 20 CHED CCC(Cc1ccc(C)cc1)=NOCCSC 794574652 LFHJQTRIGJESTM-UHFFFAOYSA-N 251.395 3.683 30 20 CHED N#Cc1cccc(C(=O)Nc2ncc(Cl)cc2Cl)c1 585715482 QNRANOOIPNDCJG-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCC[C@@H](C(=O)Nc1cccc(OCC#N)c1)C(C)C 270608689 CDWPOLNZRZWAJM-OAHLLOKOSA-N 274.364 3.600 30 20 CHED CC[C@H](C)NN=Cc1ccc(Cl)cc1Br 790184511 WZQFXXKLIXELHE-QMMMGPOBSA-N 289.604 3.825 30 20 CHED C#CCN(C(=O)[C@H](CC)c1ccccc1)C1CCCCC1 791128498 PWSLSFXRDUSNMC-GOSISDBHSA-N 283.415 3.975 30 20 CHED CC1(C)C(=NNc2ncncc2F)C[C@H]1c1ccccc1 793211194 IQYHGUIUJFBIMW-LBPRGKRZSA-N 284.338 3.597 30 20 CHED N#Cc1c(F)cccc1CN1CC[C@H]1c1ccc(F)cc1 1207723577 LYRRSKFCBZIVIT-KRWDZBQOSA-N 284.309 3.783 30 20 CHED COCc1ccc(/C=C\C(=O)c2cc(C)c(C)o2)cc1 799896741 YGRADGLNRMSXEQ-HJWRWDBZSA-N 270.328 3.939 30 20 CHED CN1C(=O)/C(=C/c2ccc(C#N)cc2)c2cc(Cl)ccc21 799501884 RJEXGARCJLFIJS-OVCLIPMQSA-N 294.741 3.729 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccnc(Cl)c1 796593801 PQGRRZUCZHCWHS-JTQLQIEISA-N 289.741 3.597 30 20 CHED Brc1cscc1C=NNC1CCCCC1 794933675 ZVNAAXRUEKKPKR-UHFFFAOYSA-N 287.226 3.767 30 20 CHED Fc1ccc(C=NNc2cccc(Cl)n2)c(Cl)c1 793174034 HCZKVNAMFSAPNP-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C=CCN(C(=S)Nc1cc(Cl)ccc1OC)C(C)C 792679808 OCOVPQDYUZTKBU-UHFFFAOYSA-N 298.839 3.942 30 20 CHED C#CCN(C(=O)c1cc(C)cc(F)c1)C1CCCCC1 79786694 YFWLKXVDBIORIZ-UHFFFAOYSA-N 273.351 3.542 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2CC23CCCC3)c1 747304256 SIAAVBXIJJPJEF-INIZCTEOSA-N 267.372 3.601 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CS1 94473179 CBBFLDAIAPMECN-KWQFWETISA-N 286.322 3.883 30 20 CHED C[C@@H]1c2ccccc2OCCN1CCc1ccc(C#N)cc1 1307554466 QBNCNPFUPBMSMT-OAHLLOKOSA-N 292.382 3.556 30 20 CHED Cc1ccc(C#N)c(NCC[C@@H]2CCCC[C@H]2C)n1 1306970048 MOXZMOUIKFYLEX-OCCSQVGLSA-N 257.381 3.890 30 20 CHED Cc1ccc(NC(=O)NC[C@@H](C)C#N)c(Cl)c1Cl 1319558533 UZRRXQQXLDIWSC-ZETCQYMHSA-N 286.162 3.583 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCC[C@H]1C1CC1 1163501732 ZSCDXEWBCOTXBW-STQMWFEESA-N 258.340 3.936 30 20 CHED CCCCn1nc(C)c(C=NOC(C)(C)C)c1Cl 1319685552 VYHGEVAUKCOEFO-UHFFFAOYSA-N 271.792 3.794 30 20 CHED CC[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H]1C 1650989831 RXFOCQLJTNPBSP-ZJUUUORDSA-N 283.297 3.597 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1ccnc(C)n1 1321894517 DMHQFOXEWOEHDE-UHFFFAOYSA-N 294.280 3.640 30 20 CHED Cc1ccc(CSCCCC2(C#N)CCOCC2)cn1 1327711624 SNUFGFSOTBFDNA-UHFFFAOYSA-N 290.432 3.724 30 20 CHED CC[C@@H](NC(=O)c1csc(C#N)c1)C1CCCCC1 1326814669 NAFDUNRIWZBQAA-CQSZACIVSA-N 276.405 3.708 30 20 CHED C=C1CCN(C(=O)Nc2cc(-c3ccccc3)on2)CC1 1335883446 GWWBGNGSMUSPEF-UHFFFAOYSA-N 283.331 3.526 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1ccccc1F 1336185774 RMXVVWLPKBAPRF-LLVKDONJSA-N 263.312 3.760 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)CCCc2c(F)cccc2F)C1 1344683791 AWQHNIWRBUFAEZ-NEPJUHHUSA-N 293.313 3.523 30 20 CHED CC(=O)c1cccc(NC(=O)[C@@H](CC#N)c2ccccc2)c1 1355165160 TZQMUXNNYKVLLL-KRWDZBQOSA-N 292.338 3.525 30 20 CHED C[C@@H](CC(=O)N(c1cccc(C#N)c1)C1CCC1)C1CC1 1350253302 XVFZNWRTQZOQIX-ZDUSSCGKSA-N 282.387 3.880 30 20 CHED Cc1ccc([C@H](C)CNC(=O)c2ccc(C#N)cc2F)cc1 1353877836 VQKCWIFKFQUXBK-CYBMUJFWSA-N 296.345 3.539 30 20 CHED C=C(CC)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 1518787542 GFGDOBXRJFWEMG-LLVKDONJSA-N 274.389 3.782 30 20 CHED N#Cc1ccc(OCc2cccc(C#N)c2F)c(Cl)c1 219764791 CFXBPEOGARUDDA-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCc2cc(C#N)ccc21 1528622748 IIRRMOMPXNNMTC-CYBMUJFWSA-N 284.403 3.910 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@H](C(=O)O)C1)c1ccccc1 1602857213 NQWITHHTTYWIJM-XHSDSOJGSA-N 273.376 3.537 30 20 CHED CCc1ccccc1CCOc1ccc(C#N)cc1 1472927784 WAACRRYTGYQXTH-UHFFFAOYSA-N 251.329 3.742 30 20 CHED Cc1cc(NCC2(c3ccccc3F)CCC2)ncc1C#N 1612567399 WGEOLNOBEUAUJP-UHFFFAOYSA-N 295.361 3.935 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1C#N 1617556570 JJJDACVULIYDFR-GXFFZTMASA-N 276.767 3.976 30 20 CHED Cc1ccc2sc(N(C)C[C@H](C)C#N)nc2c1C 1639276497 QYOPLTAVZPSHRW-SECBINFHSA-N 259.378 3.509 30 20 CHED C[C@H](CN(C)c1ccnc(C#N)c1)C1CCCCC1 1640263234 ZNNUHFHOUIALFJ-CYBMUJFWSA-N 257.381 3.606 30 20 CHED CC(C)(CNC(=O)C1(C#N)CCCC1)C1CCCCC1 120473777 BVLJAFCJRMFACG-UHFFFAOYSA-N 276.424 3.793 30 20 CHED CSCc1cccc(CNc2ncc(C#N)cc2F)c1 1651760389 NALORFDSCHRVQL-UHFFFAOYSA-N 287.363 3.567 30 20 CHED CCS[C@H]1CCCC[C@@H]1Nc1cc(C)c(C#N)cn1 1651605093 DCKYRNURESNVEZ-KBPBESRZSA-N 275.421 3.738 30 20 CHED CC1(C)CCC/C(=C/c2ccc(/C=C/C(=O)O)o2)C1=O 1593885521 MMUVIJDUXXXRAZ-LFOHPMNASA-N 274.316 3.540 30 20 CHED C=CCC[C@H](C)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 230660272 ABAKYXWIWYCHLL-GJZGRUSLSA-N 296.455 3.578 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)Cc2cccc(F)c2)c1 1672281775 KIFOIMJNKGMVND-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1sccc1C#N 1678968895 OEMASFLUIOHTQI-IINYFYTJSA-N 277.393 3.710 30 20 CHED C=CC[C@H](NCc1ccc(-c2ccsc2)cc1)C(=O)O 1776152404 XCBZYYHTWKHRHU-HNNXBMFYSA-N 287.384 3.534 30 20 CHED CC(CCCc1cccnc1)=NNc1ccccc1C(=O)O 1776030544 NMGOIXWUGXIDID-UHFFFAOYSA-N 297.358 3.591 30 20 CHED C=CC[C@H](CNc1ncc(C(=O)O)s1)c1ccccc1 1776151883 JRXNKNWWAROULJ-GFCCVEGCSA-N 288.372 3.613 30 20 CHED CC[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCS1 162936393 RWPXBKGSRQLFAZ-ZDUSSCGKSA-N 280.824 3.539 30 20 CHED C=CCN(C(=O)c1cc(Br)ccc1C)C1CC1 165365248 SJVLNYFXQMDEQI-UHFFFAOYSA-N 294.192 3.548 30 20 CHED C=CCCS[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 151990260 CDLMNVXYDPQOOP-NWDGAFQWSA-N 281.396 3.701 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@@H](CC)C1)c1ccccc1 152676833 JPTNNRUQQKWZGE-CVEARBPZSA-N 271.404 3.995 30 20 CHED N#CCC[C@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1 153613071 LQJJEUAHBIRBCN-HOCLYGCPSA-N 268.360 3.504 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccccc1CC(F)(F)F 156124122 BIVWEFBVWPDREH-NSHDSACASA-N 299.296 3.605 30 20 CHED C#CCCCCNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 155929351 DYSJCOMFWOUJSZ-MRXNPFEDSA-N 291.822 3.999 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(OC)cc1F 156737459 RMEFKGQAQNVBGL-UHFFFAOYSA-N 279.355 3.653 30 20 CHED CS[C@H]1CCCCN(c2c(C#N)cnc3ccccc23)C1 154668125 UAELNZQMLIDICY-AWEZNQCLSA-N 297.427 3.828 30 20 CHED C=CCNc1cc(NC(=O)OC(C)(C)C)ccc1C 125978692 XFVFNPUOEALLRP-UHFFFAOYSA-N 262.353 3.940 30 20 CHED C[C@@H](Cc1ccsc1)Nc1cc(C#N)ccc1[N+](=O)[O-] 124760028 CYFHDCYDKVGQPA-JTQLQIEISA-N 287.344 3.571 30 20 CHED C[C@H](CCc1ccc(O)cc1)Nc1cccc(C#N)c1 19922220 FTTPETJQJJYONV-CYBMUJFWSA-N 266.344 3.697 30 20 CHED CC(C)(C#N)CNCc1ccc(-c2ccc(F)cc2)o1 168924887 MKTSRQCOKJJFOO-UHFFFAOYSA-N 272.323 3.725 30 20 CHED CC(C)=CCCN[C@@H](C)c1ccc(OCC#N)cc1 276602663 BKWUWHNFOGHVQH-AWEZNQCLSA-N 258.365 3.596 30 20 CHED Cc1cc(CNc2cc(C#N)ccc2C)ccc1F 50545750 DFFZVWHUFCVHGP-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CCCC[C@H](CC)CNC(=O)c1cccc(C#N)c1 60612969 GXVCMEAXYRYRPE-ZDUSSCGKSA-N 258.365 3.504 30 20 CHED C[C@H]1CCCCN(c2c(C#N)cnc3ccccc23)C1 302442562 RLAWJLPJFMFMPV-ZDUSSCGKSA-N 265.360 3.733 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1ccc(Cl)cc1C#N 511411724 BWSATOKGODDKMI-GXFFZTMASA-N 264.756 3.581 30 20 CHED CSCCCCCNc1nc(C)c(C#N)cc1Cl 310975152 IUKVNFWIQJHGIA-UHFFFAOYSA-N 283.828 3.860 30 20 CHED C[C@H]1C[C@H](NCCc2cccc(C#N)c2)CC[C@H]1C 466423313 QPSFOUSISAZWII-JKIFEVAISA-N 256.393 3.515 30 20 CHED C=CCCCCCCN[C@@H]1CCC[C@H]1[C@H]1CCCN1 388509302 NCVRUOYAYMWWOX-BRWVUGGUSA-N 264.457 3.633 30 20 CHED COc1cc(Cl)ccc1OCCC(C)(C)C#N 398438711 SSKMAPIWBFCILR-UHFFFAOYSA-N 253.729 3.667 30 20 CHED N#Cc1cccc(OCC(=O)c2ccc(Cl)s2)c1 3363992 NTTDREWQNLNREZ-UHFFFAOYSA-N 277.732 3.535 30 20 CHED CCc1ccc(C2=NN/C(=N\c3ccccc3)SC2)cc1 6367501 IHMKWHPPJBMOBA-UHFFFAOYSA-N 295.411 3.977 30 20 CHED CC1(C)Cc2cccc(OCc3ccc(C#N)cc3F)c2O1 11234210 RPQSIHAWVWBMHP-UHFFFAOYSA-N 297.329 3.990 30 20 CHED Brc1cccc(NN=C2CCCC2)c1 15147909 HNTXMKCHSJBAGI-UHFFFAOYSA-N 253.143 3.791 30 20 CHED Cc1ccc(F)cc1NCc1cc(C#N)ccc1F 20053490 ZNWPJADQUGVHTH-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCCC[C@@H](CC)CNC(=O)/C=C/c1ccccc1C#N 29431417 ZBXIQNUQKJCALT-AYJWMTRPSA-N 284.403 3.904 30 20 CHED COc1cccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 37771489 YVRSGFGOESRNLF-UONOGXRCSA-N 280.371 3.979 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 41546082 OEYKUUMHFRSKDR-CYBMUJFWSA-N 276.295 3.626 30 20 CHED CN(Cc1ccc(C#N)cc1F)CC1CCCCC1 42340341 CFDAXNVRXDXBDZ-UHFFFAOYSA-N 260.356 3.709 30 20 CHED N#Cc1cc2c(nc1NCc1cccc(Cl)c1)CCC2 48331197 UBPKJYVMRCLQPN-UHFFFAOYSA-N 283.762 3.707 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2cccc(CC#N)c2)cc1 49655578 BFLLHVXEHJVHPJ-OAHLLOKOSA-N 292.382 3.894 30 20 CHED C=CCN(Cc1cn2c(C)cccc2n1)Cc1cccs1 51262277 DLHLKPYPPHBVNY-UHFFFAOYSA-N 297.427 3.892 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1F 55386687 OIRYOENQDIIZPV-WBMJQRKESA-N 260.356 3.708 30 20 CHED CCCCCCCCC(=O)NC1(C(=O)O)CCCCC1 59213257 QXUNJWGJPCIBFA-UHFFFAOYSA-N 283.412 3.641 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1 59270219 NYUAFVXFCFZMFU-DHZHZOJOSA-N 277.323 3.853 30 20 CHED N#Cc1cc(N[C@H]2CCCc3sccc32)ccn1 61812329 NTAVWPZZVAXQQG-ZDUSSCGKSA-N 255.346 3.504 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCCOc1ccccc1 63960619 KHUYBEFNABXGMC-UHFFFAOYSA-N 294.354 3.664 30 20 CHED CCOc1ccc(Oc2c(C#N)nnc3ccccc23)cc1 77165248 SRZOJFYPYSUDSY-UHFFFAOYSA-N 291.310 3.692 30 20 CHED CC(C)c1ccccc1NC(=O)N(CCC#N)CC1CC1 78450195 NFMAJKGGWURMRU-UHFFFAOYSA-N 285.391 3.968 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(F)ccc2F)s1 79263243 DJTNISQNPACSOX-UHFFFAOYSA-N 292.310 3.713 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Br)cn1C(C)C 80348200 CATGPIZBMDSSAR-JTQLQIEISA-N 299.212 3.526 30 20 CHED N#Cc1cccc(-c2nc3cc(Br)ccc3[nH]2)c1 84437484 WQWKIQARDCXNPF-UHFFFAOYSA-N 298.143 3.864 30 20 CHED CN(CCC(F)(F)F)c1ccc(C#N)c(Cl)c1 88421811 DIHMXEVUQDIKAT-UHFFFAOYSA-N 262.662 3.600 30 20 CHED CC1(C)CC[C@H](CNC(=O)C2(C#N)CCC2)c2ccccc21 91761972 RCNSDFWHVFAEIC-CQSZACIVSA-N 296.414 3.652 30 20 CHED N#CCCN(Cc1ccccn1)C[C@H]1C[C@H]1c1ccccc1 93100516 HDVYRUXCRZNPGE-MJGOQNOKSA-N 291.398 3.601 30 20 CHED N#CCCN(CC1CC1)C(=O)c1cc(Cl)ccc1Cl 103438417 WPMDBKVPTHSKGG-UHFFFAOYSA-N 297.185 3.759 30 20 CHED CC[C@H](C#N)Oc1cc(CNCC(C)(C)C)ccc1OC 113347624 REFPUMGVPSQJPJ-CQSZACIVSA-N 290.407 3.512 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccccc1)C1CCC1 116955399 KAGZAAUUFXCIKW-XJKSGUPXSA-N 272.392 3.792 30 20 CHED C=CCCCN1CCC[C@@H](CN2CCCC[C@@H]2C)C1 117883843 KRGQKUJXKGYDAP-DLBZAZTESA-N 264.457 3.539 30 20 CHED C[C@@H](SCc1nc(C2CC2)no1)c1ccc(C#N)cc1 118444170 IVZUFUBUCWSCKF-SNVBAGLBSA-N 285.372 3.813 30 20 CHED N#Cc1ccc(CNCCC2Cc3ccccc3C2)s1 119467909 DBSLQDVHRLUUOS-UHFFFAOYSA-N 282.412 3.514 30 20 CHED C=C(C)CNCc1cc(Cl)c(OCCC)c(OC)c1 119626563 NPCNPIHKWCXBGK-UHFFFAOYSA-N 283.799 3.803 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCc2ccccc21 121630157 QRXBERUQUZWLIE-MRXNPFEDSA-N 255.361 3.559 30 20 CHED N#Cc1cccc(CNc2ccc(-c3ncco3)cc2)c1 122196475 JWMXUSFJKKRHSM-UHFFFAOYSA-N 275.311 3.825 30 20 CHED Cc1cc2occ(CC(=O)N[C@](C)(C#N)C(C)C)c2cc1C 122231978 VDRWKBGMPDMNND-GOSISDBHSA-N 298.386 3.647 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N[C@H](C#N)CC 123499521 IYCIDUHNBOPNRW-GJZGRUSLSA-N 264.413 3.791 30 20 CHED C=CCC[C@H](C)NCc1ccc(Br)cc1 126797659 KKVAERNCHSKHDB-NSHDSACASA-N 268.198 3.893 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2c[nH]c3ccccc23)o1 127074682 JRFPLQPMAAVBSX-SECBINFHSA-N 284.344 3.612 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C(C1CC1)C1CC1 128106210 DFFLBITUTKSDIU-UHFFFAOYSA-N 283.415 3.680 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)C1 128828058 UITDMWIGLUPISF-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED Cc1cc(Cl)ccc1CNCc1cccc(C#N)c1 128889111 HKNQZWITVLLJSN-UHFFFAOYSA-N 270.763 3.810 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(CC#N)cc2)C1 131062441 FLVZPWRIRFQXKC-UKRRQHHQSA-N 270.376 3.908 30 20 CHED C=C(Cl)CN[C@H](C)c1cc(Cl)c(N)c(Cl)c1 131967781 GIKLUTHHBGRUPL-SSDOTTSWSA-N 279.598 3.979 30 20 CHED C=CCCN1CCC[C@@H](c2nc3ccccc3o2)C1 132518105 BAUFOVZIHWCJGM-CYBMUJFWSA-N 256.349 3.583 30 20 CHED C[C@@H](c1ccc2ccccc2c1)N(C(=O)CC#N)C1CC1 133159211 XYXVLQQXLPDJGU-ZDUSSCGKSA-N 278.355 3.805 30 20 CHED C=C(Br)CN[C@@H](C)c1cc(C)ccc1C 133311168 XHISYGOTGKNYIS-LBPRGKRZSA-N 268.198 3.863 30 20 CHED CC[C@H](CC#N)N[C@H]1CCC[C@@H]1Cc1ccccc1 136959384 BNCHJAROONREOX-ZACQAIPSSA-N 256.393 3.680 30 20 CHED C[C@H](Nc1cccc(Cl)n1)c1ccc(C#N)cc1 149725620 GZTVBAFJZDDTQQ-JTQLQIEISA-N 257.724 3.780 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H](C)c1ccccc1Cl 154951084 HVUHWQINPORNAB-ZDUSSCGKSA-N 292.810 3.846 30 20 CHED CC(C)c1cccc(NC(=O)CN(CC#N)C2CCCC2)c1 156713137 AXXXPCAUYNHIMA-UHFFFAOYSA-N 299.418 3.517 30 20 CHED C=CCCNc1cc(C(=O)N(C)C(C)C)ccc1Cl 157184981 ZTVZSUPOOIRLML-UHFFFAOYSA-N 280.799 3.808 30 20 CHED N#Cc1ccc(CNc2cccc3ncccc23)s1 157473681 JMZKWBLVWAMVSU-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(F)c(C#N)c1 159023528 VSLWYSVUCAPMGJ-UHFFFAOYSA-N 289.354 3.907 30 20 CHED C[C@H](N(C)C(=O)N[C@@H](CCC#N)c1ccccc1)C1(C)CC1 160504956 FARSYSRSGKKWOK-HOCLYGCPSA-N 299.418 3.861 30 20 CHED CCc1nc2ccccc2n1C1CCN(C(C)(C)C#N)CC1 162218586 RHDGXUJYDJZZGJ-UHFFFAOYSA-N 296.418 3.538 30 20 CHED C=C(Br)CNC(=O)[C@@H](C)CCCCCC 173272799 QIGPKAHYTANTKZ-JTQLQIEISA-N 276.218 3.618 30 20 CHED C=CC1CCN(C(=O)NC[C@H](C)Cc2cccs2)CC1 173647396 IKDRMAJVBGAZMK-CYBMUJFWSA-N 292.448 3.534 30 20 CHED CC(C)CN(C(=O)CSc1ccccc1C#N)C(C)C 173711660 DZXLMJPZMIDXAV-UHFFFAOYSA-N 290.432 3.543 30 20 CHED C=CCOCCCC(=O)Oc1cccc(Cl)c1Cl 173923695 LBSZVPGESSJBGP-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1cccc(C)c1 174354712 UYNUDNLSPSXBPF-AWEZNQCLSA-N 262.349 3.582 30 20 CHED C#CCN(CCCC(C)(C)C#N)[C@H]1CCc2ccccc21 174821335 VFSMUMNWURARGC-SFHVURJKSA-N 280.415 3.939 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccc(C#N)cc1)C1CC1 175265477 RVFVSYCSYZLONT-ZIAGYGMSSA-N 299.418 3.667 30 20 CHED C#CCCCNC(=O)c1cccc(NCC(C)(C)C)c1C 176894425 ZDSARWYQOVNTOC-UHFFFAOYSA-N 286.419 3.596 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(C#N)cs1 176909148 IUIHAXSMLOOBRA-CHWSQXEVSA-N 276.405 3.661 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1(CC)CCC1 176947587 OCCKHLLNWKNRTQ-UHFFFAOYSA-N 282.387 3.653 30 20 CHED CC(=O)c1ccccc1OCCOc1cc(C#N)ccc1C 177648307 YLQVYLSTUDTIRY-UHFFFAOYSA-N 295.338 3.527 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCc1ccc(F)cc1 178394251 SGRSIYMUPRYMEF-UHFFFAOYSA-N 282.318 3.577 30 20 CHED Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]2CCCC[C@H]21 178560007 DOHINWAUVMSDTJ-DOTOQJQBSA-N 282.387 3.662 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCC[C@@H]1C 178569780 MBDYTXQEVRCLQB-SMDDNHRTSA-N 271.364 3.567 30 20 CHED CSc1ccc(Cl)c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c1 179945608 ZRHLZFMAQDRSHR-NXEZZACHSA-N 295.791 3.911 30 20 CHED Cc1cc(Cl)c(C(=O)NC2(C#N)CCCCC2)cc1C 180364245 GLPFQZOUXDDXHK-UHFFFAOYSA-N 290.794 3.913 30 20 CHED C=C(C)CN(C)Cc1cccc(C(=O)Nc2ccccc2)c1 181256274 MLDDPKUOLGAZCN-UHFFFAOYSA-N 294.398 3.947 30 20 CHED C[C@H](NCCOC1CCCCCC1)c1cccc(C#N)c1 181977799 AUPXQHDMUSYTRA-HNNXBMFYSA-N 286.419 3.948 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)CCCC=C)c1 182865349 BZMZTUGALMIRMY-ZDUSSCGKSA-N 256.349 3.534 30 20 CHED N#Cc1cc(NCc2ccc(Cl)cc2C#N)ccc1F 184439422 QVPXKCVNAXMQJU-UHFFFAOYSA-N 285.709 3.835 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(-c2ccccc2)[nH]1 184926389 BUYUAMSFLFGUKJ-OAHLLOKOSA-N 282.343 3.777 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@H](CC)c1cccs1 185242796 MAZAPTUPAPNXPS-NWDGAFQWSA-N 251.395 3.918 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 185623544 KTTMEXJAJZNLDT-QZTJIDSGSA-N 283.415 3.708 30 20 CHED C[C@@H](NC(C)(C)CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 185827444 AUCZOFNQWWTKMJ-SOLBZPMBSA-N 299.462 3.788 30 20 CHED C=CCCN(OCc1ccccc1)c1cc(C)nc(C)n1 188546599 YOHQVKSOHFKUGM-UHFFFAOYSA-N 283.375 3.608 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 188571560 OTMVWZIHPQAYRI-RHSMWYFYSA-N 291.366 3.758 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H](C)CC(C)C 189939392 KXHLCZYGCDXUMQ-AWEZNQCLSA-N 266.429 3.990 30 20 CHED C=CCC1(C(=O)Nc2cc(F)ccc2F)CCC1 191834228 HCZWROADGLLIMZ-UHFFFAOYSA-N 251.276 3.650 30 20 CHED C=CCCCCCSCCC(=O)Nc1cc(C)on1 192548682 CTSCCLYTYLSGRA-UHFFFAOYSA-N 282.409 3.791 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)C1(C#N)CCCCC1 193025407 GTUGGCZHGDHKFR-CQSZACIVSA-N 270.376 3.680 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(C)s2)c1 210424386 ORHDDRMOLPIGOD-HJWRWDBZSA-N 258.342 3.961 30 20 CHED C[C@@H](NCc1cccc(C#N)c1F)c1ccsc1 221937305 JAIHBPWXKOAPNB-SNVBAGLBSA-N 260.337 3.610 30 20 CHED C=CCCOCCNC1CCC(c2ccccc2)CC1 222445876 UEJDICHLSQACDM-UHFFFAOYSA-N 273.420 3.895 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(Cl)c1 228719671 XWXSNPHPHBKFAR-XJKSGUPXSA-N 274.795 3.976 30 20 CHED CC(C)CCC(=O)N(Cc1ccc(C#N)cc1)C(C)C 247972696 DQTMUTZNKCIUKF-UHFFFAOYSA-N 272.392 3.731 30 20 CHED Fc1ccccc1C=NOCc1cccc2cccnc12 254998191 BYUVHFFGTXORMU-UHFFFAOYSA-N 280.302 3.925 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)/C=C\Sc2ccccc2)C1 255501756 YJTZEXLWDBTIMJ-MPBQIQEOSA-N 273.357 3.528 30 20 CHED N#C[C@H](NC(=O)C1CCCC1)c1c(Cl)cccc1Cl 264306132 BDKCEYQENWZARO-LBPRGKRZSA-N 297.185 3.864 30 20 CHED N#CCCCCNc1ccc(C#N)cc1C(F)(F)F 265588930 OXPWAGKCPSCZGK-UHFFFAOYSA-N 267.254 3.683 30 20 CHED C=CCCCN(C)C(=O)N[C@@H](C)c1c(F)cccc1F 265660002 ZJLKPVDLPLBSPY-NSHDSACASA-N 282.334 3.633 30 20 CHED C=CCCSc1nnc(Cc2ccccc2)n1CC=C 265729487 XDJUATOXEHUEAD-UHFFFAOYSA-N 285.416 3.723 30 20 CHED C=CCOCCCC(=O)N(C1CC1)[C@H](C)c1ccccc1 266275949 IWPRMHQDSFKKPV-OAHLLOKOSA-N 287.403 3.721 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCC1CCC1 267319799 YTRMNECKDHEKSY-UHFFFAOYSA-N 284.403 3.876 30 20 CHED Clc1ccc(C#CCN2CCC[C@@H]2c2ccc[nH]2)cc1 267342499 DXKWRVFAAZGGPA-QGZVFWFLSA-N 284.790 3.857 30 20 CHED C/C=C(\C=C\C(=O)N[C@H](C)c1ccc(C#N)cc1)CC 268727663 BBNNRERCEHFAPO-SKSXQYFDSA-N 268.360 3.648 30 20 CHED N#CCC[C@@H](Nc1nnc(C(F)F)s1)c1ccccc1 269741899 WBUOSKNTLYXMEX-SNVBAGLBSA-N 294.330 3.933 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 270346931 GKFAYJAJEMDGBI-QGZVFWFLSA-N 284.403 3.793 30 20 CHED C=CCN(C(=O)Nc1cccc(SC)c1)C1CC1 271350605 JLHXERXCKAPYHE-UHFFFAOYSA-N 262.378 3.591 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cnc(C)nc1C)c1ccccc1 271468192 IDEKXIOLGABPPI-KBXCAEBGSA-N 279.387 3.509 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CCOC3(CCCC3)C2)c1 273344149 UELSMLOLZRAJEN-MRXNPFEDSA-N 298.386 3.665 30 20 CHED CC#CCCCC(=O)Nc1cc(-c2ncco2)ccc1C 274333754 JYNHVKRIJCBVJJ-UHFFFAOYSA-N 282.343 3.782 30 20 CHED N#Cc1cccc(Cl)c1N1CCC([C@@H]2CCCO2)CC1 275804194 DEOZXBKIXISIFY-HNNXBMFYSA-N 290.794 3.607 30 20 CHED CCCCCCCCOCc1nc(-c2cocn2)no1 277863122 HSVBYMGHQYHFRH-UHFFFAOYSA-N 279.340 3.602 30 20 CHED CC(C)(C#N)CC(=O)Oc1cccc(C(F)(F)F)c1 278259643 NOMZKGATCFXRHF-UHFFFAOYSA-N 271.238 3.551 30 20 CHED C=C1CCN(C(=O)C[C@H](C)c2c[nH]c3ccccc23)CC1 278999711 KGKQAWRFICORSO-AWEZNQCLSA-N 282.387 3.840 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1ccccc1)c1ccco1 285829857 WVCJUKFERZYJMY-HZPDHXFCSA-N 271.360 3.610 30 20 CHED Cc1cc([C@H](C)NCCCC#N)sc1Br 285854691 IGMPJSCTGGGGOJ-VIFPVBQESA-N 287.226 3.773 30 20 CHED C=C(C)[C@@H](Cc1nc(Cc2ccc(C)s2)no1)OCC 289166961 PYAMADVLYIBMLP-CYBMUJFWSA-N 292.404 3.554 30 20 CHED C=CC[C@H](C(=O)N1CCC(F)(F)[C@@H](C)C1)c1ccccc1 290957882 PTNURFQNCOVDRW-ZFWWWQNUSA-N 293.357 3.850 30 20 CHED CC(C)[C@H]1N(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1(C)C 292753644 WZROWYLCJAWKSX-XJKSGUPXSA-N 299.418 3.695 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCCC1(F)F)c1ccc(C#N)cc1 294472640 SXJPGLKVGHOLDK-FZMZJTMJSA-N 292.329 3.561 30 20 CHED CC[C@H](N[C@H](C)c1cnn(CC)c1)c1ccc(C#N)cc1 295896261 IEIOLVZZHDUHPL-DYVFJYSZSA-N 282.391 3.577 30 20 CHED CC1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 301171500 KARMTWKODAVQDG-UHFFFAOYSA-N 268.282 3.813 30 20 CHED C[C@H]1CCC[C@@H](C)N(c2nc(C(F)(F)F)ccc2C#N)C1 301437865 SNDBAORQIJKKCM-WDEREUQCSA-N 297.324 3.987 30 20 CHED CCO[C@H]1C[C@H](N(C)c2ncccc2C#N)C12CCCCC2 301489094 KLDXUVFVLLPLSI-HOTGVXAUSA-N 299.418 3.517 30 20 CHED N#Cc1ccc(N2CCC[C@@H](c3nccs3)C2)c(F)c1 302018839 DBJXVXHXDIRTKN-GFCCVEGCSA-N 287.363 3.538 30 20 CHED CCn1ccc(CN(C)c2ccc(Cl)cc2C#N)c1 302734068 VMNHNXGQWNQWSG-UHFFFAOYSA-N 273.767 3.669 30 20 CHED COc1ccccc1C/N=C(/N)Nc1cccc(C(C)C)c1 303692117 BBNSHPOWAUJILE-UHFFFAOYSA-N 297.402 3.745 30 20 CHED Cc1ccc([C@H](C)Nc2cc(C)nc(C#N)c2)cc1 308282091 WYYFQLIDKDUGEH-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED Cc1ncc(N=C(O)Cc2ccc(C)s2)c(C2CC2)n1 328754207 DSJRBVMXKUPKNJ-UHFFFAOYSA-N 287.388 3.863 30 20 CHED OC(CC/N=C(/O)C1CCCCCC1)=Nc1cccnc1 328867232 ODBFGHIMZGPYAG-UHFFFAOYSA-N 289.379 3.987 30 20 CHED Cc1ccnc(C)c1N/C(O)=N/[C@@H]1C[C@H]1C1CCCCC1 329261132 ZBRITCDHEKBSSZ-LSDHHAIUSA-N 287.407 3.993 30 20 CHED CCOCc1cccc(NC(=O)C2(C#N)CCCCC2)c1 330418615 CBJAWDVMGJIFPO-UHFFFAOYSA-N 286.375 3.636 30 20 CHED CC[C@](C)(CCO)/N=C(/O)c1coc(C2CCCCC2)n1 331107420 JLXIYMYBRMEFOG-MRXNPFEDSA-N 294.395 3.578 30 20 CHED CCCCc1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1 334029010 VIXINPGECJZQMP-HOCLYGCPSA-N 285.391 3.843 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2)c1 334436644 QENMINKDTINTSP-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1ccnc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 334903177 CAPDYJPKLSOZSV-RDTXWAMCSA-N 291.398 3.990 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1coc(-c2ccccc2)n1 335204005 NQYFRXNCOCWVSS-CQSZACIVSA-N 282.343 3.522 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C1 335611145 JAWMJQXIOGCYKH-JOYOIKCWSA-N 297.280 3.519 30 20 CHED C[C@@H](C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 336433018 MMGVCISOUCUPIE-QMMMGPOBSA-N 291.763 3.562 30 20 CHED C[C@@H]1CCC[C@H](NCCCC2(C#N)CCOCC2)[C@@H]1C 337201845 GHYIJKFHDIRXCH-OAGGEKHMSA-N 278.440 3.501 30 20 CHED N#Cc1ccc(CNCc2cc3ccccc3s2)o1 339414730 BKGAUDZWOBHAPG-UHFFFAOYSA-N 268.341 3.656 30 20 CHED CCOc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1F 340122911 OSCOJAKREPBHAB-UHFFFAOYSA-N 298.317 3.543 30 20 CHED CSc1ccc([C@H](C)Nc2ccc(C#N)nc2)cc1 341259632 ABATYMCISHDBTN-NSHDSACASA-N 269.373 3.848 30 20 CHED CN(C(=O)C[C@H]1C[C@H]1c1ccccc1)c1ccc(C#N)cc1 341385405 OJRPTLFFIYJFBL-AEFFLSMTSA-N 290.366 3.715 30 20 CHED CC(C)c1cccc(CNc2cc(C#N)ccn2)c1 343015091 YVDFOBQSUQGJNT-UHFFFAOYSA-N 251.333 3.689 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(Cl)o3)[nH]c12 345371437 JXVKWMVCFYREDS-VIFPVBQESA-N 299.717 3.608 30 20 CHED Cc1cc(-c2noc(-c3cc(C#N)oc3C)n2)ccc1F 345740087 RTAYOZQOXIYFSK-UHFFFAOYSA-N 283.262 3.624 30 20 CHED C=CCCC1(c2nc([C@@H]3C[C@H]4CC[C@H]3C4)no2)CC1 345935150 UVFZLNUVQPHHAJ-RWMBFGLXSA-N 258.365 3.971 30 20 CHED C=CCn1c(C2CC2)nnc1N(CC)C1CCCCC1 351070782 BENYJZLDVHBLGM-UHFFFAOYSA-N 274.412 3.501 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1cscc1-c1ccccc1 352775330 JPHIWVXUWIPAFO-LBPRGKRZSA-N 284.384 3.647 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 354011098 QZGVLXRVDDDYEX-MRXNPFEDSA-N 283.331 3.584 30 20 CHED CCc1c(NC(=O)[C@@](C)(C#N)CC)cnn1C(CC)CC 355115005 VERASYYDTHPQBY-MRXNPFEDSA-N 290.411 3.685 30 20 CHED C=CCCC1(C(=O)N2CCCC[C@@H](SCC)C2)CC1 356010503 ZIYAGQXFEXDZIF-CQSZACIVSA-N 281.465 3.867 30 20 CHED N#CC1(c2nc(CCCc3ccsc3)no2)CCCC1 357478069 DOTDWBBVRHZTTP-UHFFFAOYSA-N 287.388 3.642 30 20 CHED C=CCOCCCSCC(=O)Nc1ccc(C)cc1C 359126811 XCMVVTNCXIGDFJ-UHFFFAOYSA-N 293.432 3.568 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(C)[C@H]1c1cccnc1 359250425 KVDSUDSGNXRZOS-MRXNPFEDSA-N 284.403 3.760 30 20 CHED COC1(CNc2ccc(C#N)cc2)CCC(C)CC1 359938990 AXBSWGVQQZDLRA-UHFFFAOYSA-N 258.365 3.565 30 20 CHED C=CC[C@H](C)[C@@H](C)NC1CCC2(CCOCC2)CC1 371448640 SBXQAKQPRXZCHK-LSDHHAIUSA-N 265.441 3.916 30 20 CHED C[C@H]1CSC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 382142643 QUZYEDBYYVLYBY-UFBFGSQYSA-N 286.322 3.740 30 20 CHED N#CCCC1CCN(Cc2ccc(Cl)s2)CC1 399311039 YLKCDMQWQOCZCU-UHFFFAOYSA-N 268.813 3.917 30 20 CHED CC1(C)CC[C@H](CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)O1 409447216 XJKZELJCBUBXDQ-SQNIBIBYSA-N 298.430 3.716 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc2[nH]ccc2c1 410139819 ZUWYWLZPIZUSNE-OAHLLOKOSA-N 270.376 3.571 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)N[C@@H](C#N)c1ccccc1Cl 410636535 AJRKXVXAJAXWJT-WPGHFRTFSA-N 290.794 3.847 30 20 CHED Cc1ccc(C[C@H]2CCCN2c2ncc(C#N)cc2F)cc1 413146595 XLUIJAZBMPDWFW-MRXNPFEDSA-N 295.361 3.612 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1Nc1ncc(C#N)cc1F 413213022 JJTMFASIVMJAFV-ZBEGNZNMSA-N 281.334 3.828 30 20 CHED CC[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(C#N)cc1 414310720 LLFXJEQSZMTIGA-BZUAXINKSA-N 260.356 3.880 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2c(s1)CC(C)(C)CC2 416125426 WBYBKJLRDOVVBW-OAHLLOKOSA-N 291.420 3.536 30 20 CHED C=CCC[C@@H](N[C@H]1COCc2ccccc21)C1CC1 417365616 NXOBTDLJUMOXIC-SJORKVTESA-N 257.377 3.592 30 20 CHED Cc1nsc(N[C@H]2CCCc3cc(C#N)ccc32)c1C#N 419012231 DNLNAPOCTPKDBZ-HNNXBMFYSA-N 294.383 3.684 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OC)c(OCC)c1 426548317 MAVQWMSTTCIVNO-HNNXBMFYSA-N 275.392 3.634 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc([C@@H]2CCCO2)s1 426572183 ZLRJEPUKAHMYJU-OCCSQVGLSA-N 278.421 3.535 30 20 CHED C=CCN(C)C(=O)c1cccn1[C@@H](C)Cc1ccccc1 427941940 HSNCAFSYICTNGS-HNNXBMFYSA-N 282.387 3.550 30 20 CHED N#CCc1ccc(CN2CCC(c3ccncc3)CC2)cc1 429541074 YXRFMLPZESWIII-UHFFFAOYSA-N 291.398 3.527 30 20 CHED Cc1cccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)n1 430600748 YJAKQCOWJKYJFH-NSHDSACASA-N 299.399 3.634 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)NCC2(CC#N)CC2)CC1 430919775 RXBNAMLQHYBRIE-CABCVRRESA-N 291.439 3.584 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)CCC(C)C 431735666 KMHYEZWKJDAOQW-GFCCVEGCSA-N 273.380 3.813 30 20 CHED C=CC[C@@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 433280550 CJTMJDPCRKTRIN-ABAIWWIYSA-N 274.364 3.871 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)C1C[C@H]2CCC[C@H](C1)C2 435627448 NLCYNZANOLNVEW-GJZGRUSLSA-N 296.414 3.733 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2sccc21 436279165 AQYKYTZCLNWFAM-BJJXKVORSA-N 277.433 3.696 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCC[C@@H]1CC 436279371 ARLWOQCAVREXDM-JJXSEGSLSA-N 251.414 3.526 30 20 CHED CN(C(=O)CCCC1CCCC1)c1ccc(C#N)cc1 440053996 RHLCTFKNALGMMK-UHFFFAOYSA-N 270.376 3.882 30 20 CHED CC(C)CC1(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 440450220 GPZPYLYVHSSPST-ZDUSSCGKSA-N 270.376 3.562 30 20 CHED C=CCC[C@@H](NCC1(CC(=O)OC)CC1)c1ccccc1 440603155 XZSKGZDODRNQLO-MRXNPFEDSA-N 287.403 3.627 30 20 CHED CCCOc1ccccc1NCc1ccc(C#N)c(OC)c1 440619207 FMQUAYXNIQINGC-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](C#N)C1 442863436 QXNWGHGPZQPGEE-FVQBIDKESA-N 276.811 3.943 30 20 CHED C=C(C)COCCNCc1ccc(C(F)(F)F)cc1C 442997948 CPXJPXWAVROOOD-UHFFFAOYSA-N 287.325 3.696 30 20 CHED CCC1(CC)[C@@H](NCCCCC(C)(C)C#N)C[C@@H]1OC 444697467 KNWSXSLFGAVPGM-GJZGRUSLSA-N 280.456 3.890 30 20 CHED CCCCc1nc(CN2CCCC(C)(C)[C@H]2C#N)cs1 444729052 MMAQMPMZTLNSGF-CQSZACIVSA-N 291.464 4.000 30 20 CHED N#Cc1c(Cl)cccc1N[C@@H]1CCC[C@H]2OCC[C@H]12 450393628 WAPTXLBHGQJEQS-WDBKCZKBSA-N 276.767 3.581 30 20 CHED C=CCC1(C(=O)NC[C@H](C)c2nc(C)cs2)CCCC1 450586570 SBBQBGUGVVARRF-LBPRGKRZSA-N 292.448 3.808 30 20 CHED CC(C)(C#N)CCCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 450853142 DTWDBUSAURIAFI-ARFHVFGLSA-N 290.451 3.644 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N1CCCC(C)(C)[C@H]1C#N 451198192 BLZCDGFEMHGMST-RBSFLKMASA-N 276.424 3.744 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(Br)o2)no1 453043117 SUOZZHHXVVQPER-UHFFFAOYSA-N 283.125 3.556 30 20 CHED Cc1[nH]c2ccc(-c3noc([C@@]4(C#N)C[C@@H]4C)n3)cc2c1C 453088797 OFYDAFCSTGSUIL-HUTHGQBESA-N 292.342 3.636 30 20 CHED C=CCC[C@@H](NCC1(OC)CCCC1)c1ccco1 453218008 FZFNQNRCABLWQC-CQSZACIVSA-N 263.381 3.836 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 456750743 MKOXRWOTXYOUSY-HOCLYGCPSA-N 270.376 3.908 30 20 CHED C[C@H](Cc1coc2ccccc12)NCC(C)(C)CC#N 459732096 ONJGOYBFPOMIBZ-CYBMUJFWSA-N 270.376 3.893 30 20 CHED C=CC[C@@H](C(=O)N1CC(C)(CC)C1)c1ccccc1 462742000 VAKHXSSGPVYLGT-OAHLLOKOSA-N 257.377 3.605 30 20 CHED C=CCOc1ccccc1CNC(=O)CC(C)(C)CC 465129189 DPEPZHVWCLWKKC-UHFFFAOYSA-N 275.392 3.694 30 20 CHED CCN(CCc1ccc(C(C)C)cc1)C[C@@H](C)C#N 469911276 YLTLJRQKGMZCLH-HNNXBMFYSA-N 258.409 3.834 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 472792722 QQRYFHVECXKAPW-JKSUJKDBSA-N 296.455 3.626 30 20 CHED C=CCCCCNC(=O)N(C)Cc1sccc1C 472855650 VPJSEOFMXBRYDD-UHFFFAOYSA-N 266.410 3.554 30 20 CHED CC(C)(C)OCCCCOc1cccc(F)c1C#N 473673486 CBZLZDBNZIRGGB-UHFFFAOYSA-N 265.328 3.671 30 20 CHED COc1cc(NC(=O)c2ccc(CC#N)cc2)c(C)cc1C 478574209 FQSMMQODOIELGO-UHFFFAOYSA-N 294.354 3.630 30 20 CHED CC[C@@H]1[C@@H](C)CCN1Cc1ccc(Cl)cc1C#N 481377888 WQAFRIYODDMLHR-XHDPSFHLSA-N 262.784 3.832 30 20 CHED C=CCN(CC=C)C(=O)NCc1cccc(C(C)C)c1 483340488 LZIWQNHYZYORCY-UHFFFAOYSA-N 272.392 3.694 30 20 CHED CC(C)c1ccc(NC(=O)NCCC#N)c(C(C)C)c1 487859251 LRQNDWOKWLDVRC-UHFFFAOYSA-N 273.380 3.969 30 20 CHED C=CCCCCCN1CCCC[C@H]1[C@@H](O)C(F)(F)F 488137748 KOJFJFZVWZFICK-QWHCGFSZSA-N 279.346 3.511 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cn1c(C)cc2ccccc21 488842821 ULUKMLFCAYELJJ-MRXNPFEDSA-N 282.387 3.517 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)Cc1ccc(OC)cc1 490036737 ZLEOQAHBIJYARX-CQSZACIVSA-N 289.419 3.592 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C=C\c1ccc(O)cc1 492601799 FQLOQIJGORZVSO-YFHOEESVSA-N 299.395 3.682 30 20 CHED Cc1ccc(NC(=O)NCCc2cccc(C#N)c2)c(C)c1 500204139 KKACLENWUGYYGH-UHFFFAOYSA-N 293.370 3.539 30 20 CHED N#Cc1cccc(CCN[C@H]2CCc3c(F)cccc32)c1 503593248 VVMUODYKUMKLBE-SFHVURJKSA-N 280.346 3.517 30 20 CHED N#Cc1ccc(N2CCC(c3ccc(O)cc3)CC2)cc1 507167711 CMWTZEZSOIVVCK-UHFFFAOYSA-N 278.355 3.648 30 20 CHED C=C(C)CCc1noc(COc2ccc(Cl)cc2)n1 508666548 ZPJJCCPZFGYITF-UHFFFAOYSA-N 278.739 3.811 30 20 CHED C=C(C)CCN(C)C[C@H](C)Cc1ccc(OC)cc1 509007685 IZDILOCAAYUODA-OAHLLOKOSA-N 261.409 3.772 30 20 CHED C=C1CCN(C(=O)CCC(C)(C)c2ccccc2)CC1 513780484 YCYLARHBBGDIOI-UHFFFAOYSA-N 271.404 3.923 30 20 CHED CC1CCC(CC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)CC1 522645146 BTOKNAPVMIZBQS-BJDYSFLHSA-N 276.424 3.791 30 20 CHED N#Cc1ccccc1CN[C@@H]1CCC[C@@H]1c1ccccc1 526087158 SYJLDCHPQGRHMW-RTBURBONSA-N 276.383 3.984 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C)c(C(F)(F)F)c1 527639594 IQVRDHJSTMXKPR-UHFFFAOYSA-N 283.293 3.828 30 20 CHED C=C(C)COCCNCc1ccc(-c2ccc(C)cc2)o1 532393746 MUSXPRREAFOMQB-UHFFFAOYSA-N 285.387 3.937 30 20 CHED C=CCOc1ccc(Oc2ccc(C#N)cc2)cc1 533167824 CCLAQHAHIKRHQP-UHFFFAOYSA-N 251.285 3.915 30 20 CHED Cc1cn(Cc2cc(Br)ccc2F)cc1C#N 533228130 CIBHRXGQAAFNKJ-UHFFFAOYSA-N 293.139 3.618 30 20 CHED CC(C)Oc1ccc(CN(CCC#N)C(C)C)cc1 534341763 LZUTWFDUAMJYSG-UHFFFAOYSA-N 260.381 3.598 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1cc2c(s1)CCCC2 536078719 UWVUKZRSZHDJRI-MRXNPFEDSA-N 290.432 3.685 30 20 CHED C=C(CC)CSCc1nc(Cc2ccccc2)no1 539095128 RWLGLTRYZGEISL-UHFFFAOYSA-N 274.389 3.860 30 20 CHED Cc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 539608672 YARADOOOLBYVOO-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)Nc1cccc(F)c1 540193201 DFYAALVCSOFHEX-NSHDSACASA-N 267.369 3.852 30 20 CHED C=CCC[C@@H](CC)NCCc1ccc(F)c(F)c1F 543426880 NAYZRUBMDZXALY-GFCCVEGCSA-N 271.326 3.981 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(C)CCC1CC1 555241024 QWELCMGKTWNSHX-CYBMUJFWSA-N 276.428 3.604 30 20 CHED C=CC[C@H](CC)N[C@H](CC)c1ccc(C(=O)OC)cc1 556179254 OLNMAKGDNFVITL-JKSUJKDBSA-N 275.392 3.869 30 20 CHED CCc1c(C(=O)N(CCC#N)C(C)C)oc2ccccc12 562513556 WARFRIBUBPTAFU-UHFFFAOYSA-N 284.359 3.759 30 20 CHED Cc1ncn(-c2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2)c1C 564662016 UYAVNZLNGDNLJD-ZBFHGGJFSA-N 280.375 3.593 30 20 CHED CC(C)CC1(CN[C@H]2CCc3ccc(C#N)cc32)CC1 569413544 KVAPGYDPGYWZKU-KRWDZBQOSA-N 268.404 3.961 30 20 CHED Cc1cc(SCC2CCC(=O)CC2)ccc1C#N 570396835 UFIDMMUAKOEPLZ-UHFFFAOYSA-N 259.374 3.718 30 20 CHED CC(C)c1[nH]ccc1C(=O)N(CCC#N)c1ccc(F)cc1 571307849 PVJCHHMVAWZYHU-UHFFFAOYSA-N 299.349 3.838 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)[C@H]1CCC[C@@H](C)C1 573181441 NXQWYMNWXDFPFA-LLDVTBCESA-N 288.435 3.791 30 20 CHED Cc1cccc(C)c1OCCSc1cccnc1C#N 574171188 LASCZGHPDGNATE-UHFFFAOYSA-N 284.384 3.741 30 20 CHED N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)CC2)nc1 576177714 XSTGPGYJVQXTIW-GOSISDBHSA-N 291.398 3.723 30 20 CHED C=CCn1cccc1-c1nc(-c2cccc(C)c2F)no1 578818174 PWFASQHSXSCWSK-UHFFFAOYSA-N 283.306 3.839 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H]1COc2ccccc21 579397878 KWCKPENZLMZHPS-LBPRGKRZSA-N 284.746 3.800 30 20 CHED Cc1nsc(NCC(C)(C)c2ccc(F)cc2)c1C#N 579816632 OHPWERUXXZPVJS-UHFFFAOYSA-N 289.379 3.852 30 20 CHED COCC[C@@H](Sc1cccnc1C#N)c1ccccc1 580328317 RJQUWHZGHGTTAU-OAHLLOKOSA-N 284.384 3.823 30 20 CHED C=CC[C@H](CC)NC[C@H](O)COc1ccc2ccccc2c1 584834923 JMWJHKHYCSGGRN-ROUUACIJSA-N 299.414 3.524 30 20 CHED CN(Cc1ccsc1)C(=O)c1cc(C#N)ccc1Cl 585817570 XRTHSEOBMWPSKR-UHFFFAOYSA-N 290.775 3.545 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1cncs1)C2=O 588489206 DQQWIRQVQWCOCS-GHXNOFRVSA-N 269.369 3.972 30 20 CHED Cc1csc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1C#N 589034519 LVNNGWVZIYAJPH-SDDRHHMPSA-N 274.389 3.693 30 20 CHED Cc1nc(C(C)C)ccc1CN1CCC[C@@](C)(C#N)C1 590173253 VIBHZOXVZOXUTF-KRWDZBQOSA-N 271.408 3.639 30 20 CHED N#CCCN1CCC(CCc2ccc(F)cc2F)CC1 594019471 MLXIBGSTZXIKQE-UHFFFAOYSA-N 278.346 3.523 30 20 CHED Cc1ccccc1-c1cnc(CN(C2CC2)[C@H](C)C#N)o1 595720911 NTUCJJVQYMNZTR-CYBMUJFWSA-N 281.359 3.527 30 20 CHED COc1ccc2nc(C)cc(OCC3(CC#N)CC3)c2c1 596236713 LTPWTKLUKMSCCO-UHFFFAOYSA-N 282.343 3.625 30 20 CHED C[C@@H](CCC#N)CN1CCC(CN2CCCCCC2)CC1 602439848 LQHAXVFNUMDIKI-KRWDZBQOSA-N 291.483 3.514 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CSCc2ccccc21 602530547 BKAFVCZHXZYSFQ-SWLSCSKDSA-N 260.406 3.504 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCO[C@H](c2ccc(F)cc2)C1 602615259 XMLCSXXQZSSLQU-COXVUDFISA-N 290.382 3.575 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc2c(Cl)cccc2s1 604545447 SQMJUWCWCXXKOO-CQSZACIVSA-N 292.791 3.977 30 20 CHED N#Cc1ccc(N2CC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 610282608 LIOZZJLCFKWGCL-CQSZACIVSA-N 297.289 3.557 30 20 CHED N#C[C@H](NC(=O)c1cc2occc2s1)C1CCCCC1 610502365 YTBZZKVKVPOBKW-NSHDSACASA-N 288.372 3.697 30 20 CHED C[C@H](NC(=O)[C@H](C)C1CCCC1)c1ccc(C#N)cc1 610519845 WXJUCNDTRQSKHH-OLZOCXBDSA-N 270.376 3.562 30 20 CHED Cc1noc(C)c1[C@H](C)NCc1ccccc1C(C)(C)C#N 611409070 JCCJMHLXPDQNMC-LBPRGKRZSA-N 297.402 3.943 30 20 CHED COc1ccc(C#N)cc1NCc1nc2c(s1)CCCC2 611530365 KTWWQHANOIRZCP-UHFFFAOYSA-N 299.399 3.514 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)NCC(C)(C)C#N 611621270 GURWDGBVUWHXMI-UHFFFAOYSA-N 299.296 3.685 30 20 CHED Cc1cccc(C)c1OCCCN1CCC[C@@](C)(C#N)C1 612166871 XRVGXNRFVLTBKV-SFHVURJKSA-N 286.419 3.698 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@](C)(C#N)C1 612240884 UQEKWQJANPHFIQ-LPHOPBHVSA-N 298.430 3.798 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1cnccc1C 614241670 JPQMRKQQIJLPIW-UHFFFAOYSA-N 294.398 3.537 30 20 CHED C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@](C)(C#N)C1 615837638 PHDVFMAMKYJLMR-ZGUWOUCSSA-N 299.374 3.624 30 20 CHED C[C@H]1CCSCCN1c1nc(C(C)(C)C)ccc1C#N 616403995 HKFWREHFLMFSQV-LBPRGKRZSA-N 289.448 3.583 30 20 CHED C=CCCC(=O)NCc1ccc(Cl)c(Cl)c1 618541077 LDVPULBUJXJBCZ-UHFFFAOYSA-N 258.148 3.576 30 20 CHED C[C@@H]1CCCC[C@H]1N[C@H]1CCc2cc(C#N)ccc21 618803275 SBJJFPPTGZROHJ-JLZZUVOBSA-N 254.377 3.714 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCCC(F)(F)C2)CCCC1 619110687 NDRKGZHMUBRTRJ-GFCCVEGCSA-N 271.351 3.817 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 620857579 BGYCKVMOWKMQIX-GJZGRUSLSA-N 281.440 3.689 30 20 CHED C=CCN(C(=O)Cc1ccccc1OC(F)F)C(C)(C)C 622944076 CSAHLRFLXHEUHH-UHFFFAOYSA-N 297.345 3.644 30 20 CHED C=CCN(C(=O)Cc1ccccc1SC)C(C)(C)C 622945244 YLAQLAVHPIHFOX-UHFFFAOYSA-N 277.433 3.764 30 20 CHED C=C1CCN(Cc2ccc3ccc(F)c(F)c3n2)CC1 638031519 IQGPBVGFEJZUBG-UHFFFAOYSA-N 274.314 3.665 30 20 CHED C=CCCCn1cc(CSc2ccccc2OC)nn1 640936454 YFTFNJHUQBHWSI-UHFFFAOYSA-N 289.404 3.545 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 649545185 SPTNBOGMFNKAFZ-IJEWVQPXSA-N 287.428 3.865 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccn(-c2ccc(C)cc2)n1 654209915 JDBIMXWUESOFGY-UHFFFAOYSA-N 298.390 3.611 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(CC=C)CCCC1 664809040 HCIPOTONNYXISW-CYBMUJFWSA-N 250.386 3.529 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2sc(C)nc2C)C1 666286995 UJJSHGRGGGLBJR-LBPRGKRZSA-N 279.409 3.580 30 20 CHED C=CCCc1ccccc1NC(=O)Nc1ccn(CC)n1 667029248 VNUZBEDCKOSRKR-UHFFFAOYSA-N 284.363 3.666 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)c(Cl)c2)nc1 689254778 ODHSGRANVYCJNQ-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C#C[C@@H](NC(=O)CSc1ccccc1Cl)C(C)(C)C 702251637 ZFFLUKIDNVJWLT-CYBMUJFWSA-N 295.835 3.596 30 20 CHED CCCCCCCN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 713566768 USZPLZWKJNSAHC-RBSFLKMASA-N 251.414 3.504 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(F)cc2C)c1 726438997 IGJYDBQJQJGWLN-UHFFFAOYSA-N 284.359 3.924 30 20 CHED C#CCCCOC(=O)CCc1ccc(Cl)c(Cl)c1 727039124 MSIPJNZUSXWATJ-UHFFFAOYSA-N 285.170 3.883 30 20 CHED Cc1cccc(NN=Cc2ccc(O[C@H](C)C#N)cc2)c1 727686984 ISSCHXSSLIWHGX-CQSZACIVSA-N 279.343 3.732 30 20 CHED CC(C)C[C@H](C)CC(=O)OCc1cccc(C#N)c1 727881141 MFSWBHNQIUHBHP-ZDUSSCGKSA-N 259.349 3.674 30 20 CHED C[C@@H](OC(=O)CSc1ccc(C#N)cc1)c1ccccc1 728460182 UYORNYNLAKVRRC-CYBMUJFWSA-N 297.379 3.955 30 20 CHED C#Cc1ccc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)nc1 728817700 DGLMGIBDAIKHKG-UHFFFAOYSA-N 292.382 3.637 30 20 CHED COc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)c(OC)c1 730949107 SECHELKXQKLATQ-XNTDXEJSSA-N 294.350 3.835 30 20 CHED C[C@H]1CCC[C@H](N2CCC(=NNC3CCCC3)CC2)C1 733747314 JDXAKHDGTFIQMR-YOEHRIQHSA-N 277.456 3.549 30 20 CHED Cc1cccc(NN=C2CCc3cc(F)ccc32)c1 734296746 UQSLFWOCTWICPB-UHFFFAOYSA-N 254.308 3.897 30 20 CHED C=CC[C@@H](NC(=O)NC[C@H](C)C(C)(C)C)c1ccncc1 734674595 XXZGKVSENYWMOD-DZGCQCFKSA-N 289.423 3.680 30 20 CHED C=CC[C@H](NC(=O)N1CCCCCCC1)c1ccncc1 734680118 QVCGDTQEULAPOH-INIZCTEOSA-N 287.407 3.675 30 20 CHED C=CCCCOC(=O)c1cc(OC)ccc1Br 735525206 BUNFZOYUNFYCDB-UHFFFAOYSA-N 299.164 3.581 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1C=NNc1ccc(F)cc1 739399429 DUHSOKOIRIIFMO-UHFFFAOYSA-N 293.685 3.833 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cccs1 739425255 NPBOWFIEYMEFQW-SREVYHEPSA-N 273.313 3.861 30 20 CHED C=CC[C@@H](NC(=O)CCSCCCC)c1ccncc1 739732170 CLUZVXCYJIJGSG-OAHLLOKOSA-N 292.448 3.738 30 20 CHED CC(C)CN(CCC#N)Cc1cc(-c2ccccc2)no1 739913974 FREFUVIENDNXAV-UHFFFAOYSA-N 283.375 3.713 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ccncc1F 741181770 GGDMKIGANQSZMP-ZDUSSCGKSA-N 280.387 3.947 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H](C)c2cccc(C)c2)c1 741395596 PBMRQPJYWHIWMR-OAHLLOKOSA-N 292.382 3.902 30 20 CHED Cc1cccc(F)c1CNCc1ccc(O[C@H](C)C#N)cc1 742380744 RXZULUPVQHCIJE-CQSZACIVSA-N 298.361 3.715 30 20 CHED C#CCCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C 742786077 TVWSFQUAYRJIJP-UHFFFAOYSA-N 294.398 3.546 30 20 CHED CCCCCCCC(=O)NCC(C1CC1)C1CC1 742821384 RGZKYBGMTLEMNW-UHFFFAOYSA-N 251.414 3.899 30 20 CHED CC1(C)C(=NNc2c(F)cccc2F)[C@@H]2CCCO[C@@H]21 743440806 ZREZGGALEVSYCC-XPTSAGLGSA-N 280.318 3.568 30 20 CHED C#CCN(CC#CC)Cc1csc(C2CCCCC2)n1 743852154 BRIXMFDTAXHFKP-UHFFFAOYSA-N 286.444 3.649 30 20 CHED C=C(Cl)CN1C[C@H](C)C[C@@H]1c1ccccc1F 743855916 BPTXIOXGIBDFQK-QMTHXVAHSA-N 253.748 3.961 30 20 CHED C=CCOC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744042013 BGUPSSBVXSKCCQ-RYUDHWBXSA-N 271.143 3.826 30 20 CHED Cc1cccnc1CC(=NNc1ccccc1)C(F)(F)F 746367612 OTFGPDZEQFERJQ-UHFFFAOYSA-N 293.292 3.963 30 20 CHED C=CCc1cc(C=NNc2ccc(C)cc2)cc(OC)c1O 747040684 RXYOPGOFQFDWNA-UHFFFAOYSA-N 296.370 3.884 30 20 CHED Fc1ccc(/C=C/C=NNc2ncnc3ccsc23)cc1 747762464 CMXRJFGPKDHMNJ-UBBVTSNOSA-N 298.346 3.942 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1 748239156 DFFGKBCWOPOXGW-LLVKDONJSA-N 295.766 3.567 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1 748441576 LJGCHASUFZEIPH-GHXNOFRVSA-N 290.366 3.910 30 20 CHED CC(C)=CC(=O)OCC#Cc1ccc(C(F)(F)F)cc1 748491504 KSENCPKKKYFBPQ-UHFFFAOYSA-N 282.261 3.566 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(C)c(F)cc2F)c1 748709229 YPGFESHXBPXECZ-UHFFFAOYSA-N 299.320 3.921 30 20 CHED N#Cc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)s1 748994151 HODROJNTBFEDOE-WUXMJOGZSA-N 286.743 3.766 30 20 CHED CCCCC[C@@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 749167012 QOSJMJOUJDZXQR-CQSZACIVSA-N 299.418 3.815 30 20 CHED CSCC(=NNc1ccccc1)c1ccccc1 749444362 VIUXTDOVDGVRDE-UHFFFAOYSA-N 256.374 3.866 30 20 CHED Oc1ccccc1C=NOc1ccccc1C(F)(F)F 754708734 CMSDBGFHKJSMPL-UHFFFAOYSA-N 281.233 3.824 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1c(C)noc1C 754865900 SCISLPMXESEPIT-UHFFFAOYSA-N 295.427 3.793 30 20 CHED C=C(C)[C@@H](CC(=O)N1Cc2ccccc2[C@H](C)C1)OCC 755423008 DBGGAIBBXXHBCL-RHSMWYFYSA-N 287.403 3.504 30 20 CHED C#CCN(CC)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 755509973 PIBKMOSSCOBEEO-UHFFFAOYSA-N 289.137 3.620 30 20 CHED COCCC(=NNc1cccc2cnccc12)C(C)C 756826991 OAVHGDJIVYEOSB-UHFFFAOYSA-N 271.364 3.695 30 20 CHED Clc1cccc(CNN=Cc2cccs2)c1 756827236 KKSLRJXCUPMIMO-UHFFFAOYSA-N 250.754 3.525 30 20 CHED CC[C@@H](/N=C\c1c(O)cccc1OC)c1c(C)noc1C 756845035 AWISPXAFTLQNKM-ZLYHGVDXSA-N 288.347 3.576 30 20 CHED C#CC[C@H](NC(=O)Nc1ccccc1C)c1ccccc1 757760147 GXXXWBXCIBZYFX-KRWDZBQOSA-N 278.355 3.881 30 20 CHED C#CCCCC(=O)Nc1cccc(O[C@H](C)CC)c1 757870653 HEUDWMWMTCXISH-CYBMUJFWSA-N 259.349 3.606 30 20 CHED C[C@H]1C[C@@H](NCc2ccc(N(C)CCC#N)cc2)CC[C@H]1C 757997649 PWCNQQPSBRJBDW-RYRKJORJSA-N 299.462 3.951 30 20 CHED C#CC[C@H](NC(=O)c1ccccc1CC)c1ccccc1 758007360 ZPIGQPLIRJEEAI-SFHVURJKSA-N 277.367 3.743 30 20 CHED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 758179158 PXMWRGHRNRASTO-LBPRGKRZSA-N 290.432 3.790 30 20 CHED C#CCCCCNC(=O)N[C@H](c1ccc(F)cc1)C(C)C 758680304 BDXYFFBYQXKEKT-INIZCTEOSA-N 290.382 3.626 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1ccc(Cl)s1 759009071 DCPYRJJINJNFBJ-UHFFFAOYSA-N 298.791 3.896 30 20 CHED C=CCCc1nc(Cc2cccc(F)c2Cl)no1 762132717 UIHHHQOONCUXEE-UHFFFAOYSA-N 266.703 3.572 30 20 CHED CCCCC[C@@H](C)CC(=O)Nc1cc(CC#N)ccn1 763908938 MQYMMVDUERNGOO-CYBMUJFWSA-N 273.380 3.693 30 20 CHED Cn1cc(/C=C2\Cc3cc(Cl)cc(Cl)c3C2=O)cn1 764431280 DABGKCCZFGEYQO-WTDSWWLTSA-N 293.153 3.549 30 20 CHED Cc1cc(OC[C@H](O)c2ccc(Cl)cc2)ccc1C#N 766052305 RRFAHNSEOFFHNN-INIZCTEOSA-N 287.746 3.633 30 20 CHED C#Cc1cccc(NC(=O)Cc2c(C)oc3ccccc23)c1 767045277 JFPPXGRUQWGPEL-UHFFFAOYSA-N 289.334 3.904 30 20 CHED C[C@H]1CCC(=NNc2nc3ccccc3[nH]2)C[C@H]1C 767357636 IJOUSULPKYCPGW-WDEREUQCSA-N 256.353 3.787 30 20 CHED CCc1ccc(/C=C/C(=O)c2cncc(C)c2)s1 767367057 NOQNEEYHVJVUEK-VOTSOKGWSA-N 257.358 3.910 30 20 CHED CC[C@H](C)N(C(=O)Cc1ccccc1CC#N)[C@H](C)CC 767504255 FLAMHPRWXHQION-GASCZTMLSA-N 286.419 3.721 30 20 CHED C#CCCCCCC(=O)OCCC(Cl)(Cl)Cl 767589580 UYCSJVAOVBTJTN-UHFFFAOYSA-N 285.598 3.874 30 20 CHED C[C@H]1CCC[C@H](C=NNc2cccc([N+](=O)[O-])c2)C1 768357474 LBAZOFIDJVBLBR-RYUDHWBXSA-N 261.325 3.819 30 20 CHED C#CCCOc1ccc(CNc2cc(F)ccc2OC)cc1 768660008 UMZRMNJSTKYAFB-UHFFFAOYSA-N 299.345 3.849 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](F)c1ccccc1 769389339 OITVHNJGTBTJOG-MRXNPFEDSA-N 287.334 3.548 30 20 CHED COC1CC(NCc2cccc(-c3ccc(C#N)s3)c2)C1 769518996 MJWQKDPVRRQBJV-UHFFFAOYSA-N 298.411 3.554 30 20 CHED Cc1cccc(F)c1NN=Cc1nc(Cl)cs1 769828890 XYSYBUMUCCOHEQ-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C#CCOc1ccccc1OCc1ccc2ncccc2c1 769829780 JGAVPVJXKOYOPR-UHFFFAOYSA-N 289.334 3.826 30 20 CHED C=CC[C@@H]1N(Cc2nnc(C(C)(C)C)o2)CCCC1(C)C 769952988 HMBFWAZVEOMONG-ZDUSSCGKSA-N 291.439 3.934 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H](C)CCSC)CCCC1(C)C 770675786 QOCHIROGBNDKCL-KGLIPLIRSA-N 298.496 3.904 30 20 CHED CC(=NNC[C@@H](C)C#N)c1ccc(SCC(F)F)cc1 771105049 XVOCGHHGDRCBGQ-JTQLQIEISA-N 297.374 3.517 30 20 CHED C=CCN(C(=O)N[C@H](C)Cc1ccccc1Cl)C1CC1 772441015 FFZDUWRVIUAOMJ-GFCCVEGCSA-N 292.810 3.631 30 20 CHED C#CCOc1ccccc1CN[C@H](CCC=C)C1CC1 772987859 LXMWVMWLZRCRRT-QGZVFWFLSA-N 269.388 3.533 30 20 CHED COc1cc(C=NNc2ccccc2F)ccc1C 773035004 OVXGVDKEKNQOQM-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CC(C)c1nccnc1NN=C[C@H](C)c1ccc(F)cc1 773092835 GJOJFIPBNSGBOR-LBPRGKRZSA-N 286.354 3.941 30 20 CHED CCOCCON=C1C[C@@H](c2ccccc2)C1(C)C 774419011 YFJPZMDDJLBZNL-AWEZNQCLSA-N 261.365 3.609 30 20 CHED CCOCc1cc(C=NOC2CCCC2)ccc1OC 774604584 YWMQGRLAFTZNAQ-UHFFFAOYSA-N 277.364 3.525 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)OCCCCC#N 775923819 LGOJIONNFFEHSL-OAHLLOKOSA-N 273.376 3.882 30 20 CHED Cc1cccc(OCCCN[C@@H](C)c2cccc(C#N)c2)c1 776162935 BZFBCAGKLPHWPC-INIZCTEOSA-N 294.398 3.986 30 20 CHED C=CCN(C(=O)NCC1(CCOC)CCCCC1)C(C)C 776263764 LEPBWMOQXRCSSY-UHFFFAOYSA-N 296.455 3.579 30 20 CHED CCc1cnccc1C/N=C/c1cc(Cl)ccc1O 778516806 HZAPOGCZBPIZLS-VCHYOVAHSA-N 274.751 3.622 30 20 CHED C=CCN(C)Cc1cc(-c2ccccc2)ccc1O 779188761 ZXOCMWRORBLADP-UHFFFAOYSA-N 253.345 3.677 30 20 CHED COCCC1(C=NOCc2cccnc2)CCCCC1 780234796 DQLUJIAIJBLYCP-UHFFFAOYSA-N 276.380 3.571 30 20 CHED C(=NN[C@@H]1CCCOC1)c1cc(-c2ccccc2)cs1 780260124 BBPINLLXZUVRTH-OAHLLOKOSA-N 286.400 3.518 30 20 CHED C[C@@H]1C(=NNc2cc(C#N)cc(Cl)n2)CCC[C@H]1C 781128795 VDYXDKWOBHMKBJ-ZJUUUORDSA-N 276.771 3.831 30 20 CHED C=CCOc1cccnc1C(=O)OCC1CCCCCC1 781482373 QBYCRQZSWNHEQE-UHFFFAOYSA-N 289.375 3.774 30 20 CHED N#Cc1cccc(NN=C2CCCOc3cc(F)ccc32)c1 781587328 WPSUJDOAKJRHDF-UHFFFAOYSA-N 295.317 3.686 30 20 CHED CCCCCCCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 782473110 SXGWGJZIYDSBMS-UHFFFAOYSA-N 294.351 3.902 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2nc(C)cc(C)n2)C1 783773454 YETPROGEJAUNRG-KGLIPLIRSA-N 260.385 3.708 30 20 CHED CC(C)(C)CCNN=Cc1ccc([N+](=O)[O-])cc1Cl 783861674 OLPMKQKJMFRGMX-UHFFFAOYSA-N 283.759 3.608 30 20 CHED C1CCC2(CC1)CCC(=NN[C@H]1CCCOC1)CC2 786042048 IFNJRAGTONACGJ-HNNXBMFYSA-N 264.413 3.636 30 20 CHED C=CCCN(C)C(=S)Nc1ccc(Cl)cc1 786083179 NPVXNAZAOSGJGH-UHFFFAOYSA-N 254.786 3.545 30 20 CHED CC(=Nn1cnc2ccccc21)c1cnn(C(C)(C)C)c1C 787151731 JXUDZJPVKNFWJX-UHFFFAOYSA-N 295.390 3.569 30 20 CHED COc1cccc(NN=C(C)c2cnn(C(C)C)c2C)c1 787152143 QRZSWBOFBHJCPH-UHFFFAOYSA-N 286.379 3.617 30 20 CHED CSc1ccc(C(C)=NOC[C@@H]2CCOC2)c(Cl)c1 788036871 OKYPTOTWADSHPP-LLVKDONJSA-N 299.823 3.839 30 20 CHED C#CCC1(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)CCCCC1 788430152 NEYMJYJOXFTGCB-CVEARBPZSA-N 275.436 3.997 30 20 CHED C=CCc1ccc(OC(=O)/C(=C\C)CC)c(OC)c1 789345898 RUUAWRLSBSYABS-MLPAPPSSSA-N 260.333 3.685 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccccc1Oc1cccc(F)c1 789837700 XKHKMGNONSLTLD-LBPRGKRZSA-N 298.317 3.761 30 20 CHED CCc1ccc(C=NOCc2cc(C)ccn2)cc1 790491379 YHWWSSIFRBJLSB-UHFFFAOYSA-N 254.333 3.503 30 20 CHED C[C@H]1CC[C@@H](OC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 790975805 SSGDWGVGKBXNDC-SMDDNHRTSA-N 296.326 3.559 30 20 CHED Cc1cc(F)c(F)cc1OC(=O)c1ccc(F)c(C#N)c1 791421369 DOKHWHCIGRCLFI-UHFFFAOYSA-N 291.228 3.503 30 20 CHED Cc1ccnc(NN=C[C@@H](OC(C)C)c2ccccc2)c1 793026856 NPBPTRKXOWZSBB-MRXNPFEDSA-N 283.375 3.954 30 20 CHED CC[C@@H](C)CON=Cc1cccn1Cc1cccs1 793143994 BDMJVAXJDDAFEC-CYBMUJFWSA-N 276.405 3.995 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CCC(=O)c2ccccc21)C(C)(C)C 793210874 XSQVTYGGGYLNQR-RDJZCZTQSA-N 298.382 3.728 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2C=CCCCCC2)s1 793399183 PVDYCAYTCTYIOH-NSHDSACASA-N 261.346 3.665 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H](O)c1ccc(C)o1 793537479 XDDRDFKKPIFCKE-HIFRSBDPSA-N 265.397 3.736 30 20 CHED C=C(C)CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 794669041 OXCACJLMQCBQPQ-MSOLQXFVSA-N 267.372 3.627 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc3occc3c2)n1 794911698 NRLTWNRVWASTKF-UHFFFAOYSA-N 286.722 3.631 30 20 CHED C=CCC(=NNc1ncccc1F)c1ccc(F)cc1 794994143 UAQLXEYQBCXICV-UHFFFAOYSA-N 273.286 3.752 30 20 CHED CCC(=NNc1cccc(F)n1)c1cc(F)ccc1F 795007982 AZWKSSXKLFZZEZ-UHFFFAOYSA-N 279.265 3.725 30 20 CHED CC(C)O[C@@H](C(=O)Oc1ccc(C#N)cc1)c1ccccc1 796710858 DONHXKYPIYFTQY-QGZVFWFLSA-N 295.338 3.630 30 20 CHED CC[C@H](C)c1ccc(OC(=O)c2ccc(C#N)o2)cc1 796729601 BUGGYEHMAQQTCP-NSHDSACASA-N 269.300 3.884 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1ccc(CC)cc1)C1CC1 797020615 WCSWIGDWBRPWCG-QZTJIDSGSA-N 273.420 3.617 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CC[C@H]2CCC[C@H]2C1 797960099 IRAGQCNTXZEURM-FRRDWIJNSA-N 273.332 3.585 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)ccc1N1CCCC1 798550622 CFRNTWXRWQEQOT-OAHLLOKOSA-N 286.419 3.680 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(F)c(C(=O)CC)c1 798550861 GRGOFAOXBVHAMQ-GFCCVEGCSA-N 277.339 3.503 30 20 CHED C=CCCC(=NOCc1ccccc1OC)C1CC1 799116956 FPQLGAFPDBVLBN-UHFFFAOYSA-N 259.349 3.944 30 20 CHED COc1cc(/C=C/c2cc(C=O)c(C)s2)ccc1C#N 799497422 QLVVZIWWKNMXEI-GQCTYLIASA-N 283.352 3.920 30 20 CHED C[C@@H](OC(=O)[C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 800276479 AYMPAYQUUNZJRR-RISCZKNCSA-N 293.313 3.988 30 20 CHED CC#CC(=O)NCC1(c2ccccc2Cl)CCCCC1 801181351 MAHYYJRYGLPZNO-UHFFFAOYSA-N 289.806 3.681 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)c1nc2ccccc2o1 802753111 WTXKEAWIUJQWES-WDEREUQCSA-N 276.361 3.551 30 20 CHED C=CCCCCCCNC(=O)[C@@H](F)Cc1ccccc1 805218801 MDQWASWFBREPBN-INIZCTEOSA-N 277.383 3.820 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(C(C)(C)C)cc1 806096470 BXZZRQJLXNLPMU-CYBMUJFWSA-N 258.365 3.517 30 20 CHED C=C(CNC(=O)NCCSC(C)(C)C)c1ccccc1 806709364 HPANENHMCNEGED-UHFFFAOYSA-N 292.448 3.531 30 20 CHED C[C@H]1Oc2ccccc2[C@@H]1Nc1nc(Cl)c(C#N)s1 808132309 AMYKALJSICAFGY-RDDDGLTNSA-N 291.763 3.602 30 20 CHED N#Cc1nc(F)ccc1OCCc1c(F)cccc1Cl 808275612 ZUEJDVXQISTMPV-UHFFFAOYSA-N 294.688 3.506 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C#N)cs1 811591075 ZZFKHWITEIHFFO-UHFFFAOYSA-N 276.405 3.876 30 20 CHED CCOC(=O)c1ccc(NN=CC2CCCC2)cc1C 812228364 MYQKXWGPSYQJGJ-UHFFFAOYSA-N 274.364 3.760 30 20 CHED C[C@@H](C=NNc1cncc(Cl)n1)C1CCCCC1 814797225 CQKDHKOSPRWWMX-JTQLQIEISA-N 266.776 3.744 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1c[nH]nc1C 814811831 VVALAPAOBLKRBB-GFCCVEGCSA-N 284.407 3.916 30 20 CHED CC(=NN=C1CC[C@H](Cc2ccccc2)C1)c1cnccn1 814861773 VFKRBTQUHHJVKK-MRXNPFEDSA-N 292.386 3.684 30 20 CHED Cn1ncc(C=NNc2ccc(C(C)(C)C)cc2)c1Cl 814900705 DTJCZBMCURVSOT-UHFFFAOYSA-N 290.798 3.817 30 20 CHED O=C(O)c1cccc(C=NOC2CCCCC2)c1Cl 814908771 AXRKTOVUOTYRCF-UHFFFAOYSA-N 281.739 3.721 30 20 CHED CC(C)(C)c1n[nH]cc1C=NNc1ccc(F)c(F)c1F 814945278 UCOVCPGUUHVNEL-UHFFFAOYSA-N 296.296 3.571 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(=O)c3ccccc3o2)n1 815706077 OYZPTJDEKXKEEZ-UHFFFAOYSA-N 296.326 3.697 30 20 CHED C=CCC(F)(F)C(=O)OCc1cnc(-c2cccs2)o1 815956511 HPSHHQAZTVPRTR-UHFFFAOYSA-N 299.298 3.658 30 20 CHED C#C[C@@H](NC(=O)N(CC1CCC1)CC1CC1)c1ccccc1 820591138 OCFBKGNFMXTSTG-GOSISDBHSA-N 296.414 3.583 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2F)c1 821007368 HNIMDUZDUOLKCG-YVMONPNESA-N 285.274 3.938 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C\c2cccc(C#N)c2)c1 821017779 OANIEPALAWZAFW-KTKRTIGZSA-N 290.366 3.516 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc3oncc3c2)cn1 821038712 LCOHDFHGHGFGSZ-HWKANZROSA-N 281.315 3.501 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(SC(F)(F)F)c1 829975284 JKUHIFQHHDYIAF-MRVPVSSYSA-N 275.295 3.603 30 20 CHED C=C(Cl)CSCc1cc(C(=O)O)ccc1F 833371171 YMYPYNAEWNHKNZ-UHFFFAOYSA-N 260.717 3.510 30 20 CHED CCOc1cccc(C(=O)/C=C\c2conc2CC)c1 834421642 SRRJODAKCUAFIS-HJWRWDBZSA-N 271.316 3.532 30 20 CHED Cn1c(Cl)cnc1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 834434777 STSDCUREMHFEMF-KAQJVSAMSA-N 298.773 3.773 30 20 CHED C#CCCc1noc(-c2oc3ccccc3c2CC)n1 834585432 PGUKMPSQEKDMFN-UHFFFAOYSA-N 266.300 3.611 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2ccccc2c1 836189414 NCRMSLUTDAOUMJ-SJORKVTESA-N 296.370 3.695 30 20 CHED C#CC[C@H](NC(=O)NCC1=CCCCC1)c1ccccc1 836376461 GGSUWSFQBGPVEW-KRWDZBQOSA-N 282.387 3.551 30 20 CHED CC1(C)CC=C(C(=O)Nc2cccc(OCC#N)c2)CC1 836398652 PKSLEZPYHKOJBG-UHFFFAOYSA-N 284.359 3.664 30 20 CHED N#CCc1ccccc1C(=O)OCC1CCC(F)(F)CC1 837401632 AYCSMXLWHUDLNT-UHFFFAOYSA-N 293.313 3.735 30 20 CHED CC(C)N(C)c1cccc(NC(=O)C#CC(C)(C)C)c1 837407635 GLVTXUUDACOXGD-UHFFFAOYSA-N 272.392 3.519 30 20 CHED CC(C)(C)C#CC(=O)N1CCC(c2ccc(F)cc2)CC1 837459632 GZSKAAXRKGCLIB-UHFFFAOYSA-N 287.378 3.581 30 20 CHED Cc1cccc(COC(=O)[C@@]2(C#N)CC23CCCC3)c1 837908567 KVYXCUWYQSWTJP-KRWDZBQOSA-N 269.344 3.512 30 20 CHED C=CCCCCCCNC(=O)N1CCCO[C@@H](C(C)C)C1 838592453 SFIFERAJBIWQRR-MRXNPFEDSA-N 296.455 3.579 30 20 CHED Cc1ccc(C(=O)CCC(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839045051 XDFFKTXWUWQAFD-ZBFHGGJFSA-N 299.370 3.584 30 20 CHED C=CCCCCOC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 840606771 DBSRSHNHPLSAJL-JKSUJKDBSA-N 269.344 3.561 30 20 CHED Cc1cc(/C=C2/C[C@@H](C)c3ccccc3C2=O)nn1C 840717407 UTLHAJLFYIEFGO-COVOJHCQSA-N 266.344 3.502 30 20 CHED c1cc(NN=C2CCC[C@H]3C[C@@H]23)c2ccncc2c1 841627119 MBUUGJYZGOTLIO-SMDDNHRTSA-N 251.333 3.823 30 20 CHED OCc1ccc(Br)c(NN=C2CCCCC2)c1 841653218 NVGPGKZCWMTBNQ-UHFFFAOYSA-N 297.196 3.673 30 20 CHED CCC(C)=NNc1cc(F)ccc1Br 841654766 PGTLAXOUROIGPH-UHFFFAOYSA-N 259.122 3.786 30 20 CHED C#C[C@H](NC(=O)c1scnc1C(C)(C)C)c1ccccc1 843643051 PSUZUSWOFBORQY-ZDUSSCGKSA-N 298.411 3.545 30 20 CHED CC1(C)C[C@H](O)c2cc(-c3cccc(C#N)c3)ccc2O1 844231692 DMYVUEJQUMWLEU-INIZCTEOSA-N 279.339 3.820 30 20 CHED Cc1c(NN=C2CC[C@@H]2C2CCC2)cccc1C(=O)O 844622344 CISWTULQMIHKDS-CYBMUJFWSA-N 272.348 3.671 30 20 CHED C=C[C@H](C)ON=C(C)c1nc2ccccc2n1C(F)F 844625667 SPKLGYAUJKMMDP-VIFPVBQESA-N 279.290 3.747 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1ccc(C(C)=O)o1 851142917 HKKJDNKRXSPIAR-GXTWGEPZSA-N 276.332 3.774 30 20 CHED CC[C@@H]1CC[C@@H](C)N(Cc2ccc(OCC#N)cc2)C1 852592811 WEMGJTFGOTVDHQ-HUUCEWRRSA-N 272.392 3.599 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1c(F)cccc1F 853783576 WDCVVOIGVLCQSU-QMMMGPOBSA-N 291.750 3.778 30 20 CHED C=C[C@H](OC(=O)[C@@H](CCC)OCC)c1ccccc1 860883597 VJQSPNWWSUOYQJ-LSDHHAIUSA-N 262.349 3.662 30 20 CHED C#CCCCC(=O)NCCCCCCc1ccccc1 862626212 YRHKMYQXMIUUEZ-UHFFFAOYSA-N 271.404 3.709 30 20 CHED C=CCCCC(=O)N[C@@H](CC)CCc1ccccc1 862691563 STKQOVWTQOWPTP-INIZCTEOSA-N 259.393 3.870 30 20 CHED C=C(C)C[C@H](NCc1ccc(C2CCCC2)cc1)C(=O)O 864529636 KQHDOCUGRGBCJI-KRWDZBQOSA-N 287.403 3.853 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2csnn2)cc1 888350705 ZKTAPBFFGLPKEO-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=C1CCC(C(=O)Nc2cc(F)c(OC)cc2C)CC1 890019422 SSWXZDPHIGPEMK-UHFFFAOYSA-N 277.339 3.828 30 20 CHED Cc1nn(C(C)C)c(C)c1CNCC(C)(C)CCC#N 894513075 BWJMNKXTCLXMGQ-UHFFFAOYSA-N 276.428 3.500 30 20 CHED Cc1nc2ccccc2c(N2CCC[C@H](C#N)C2)c1C 895651123 UHSYERLICPSLHM-CQSZACIVSA-N 265.360 3.592 30 20 CHED C#Cc1cncc(-c2noc([C@H](CC)OC3CCCC3)n2)c1 896555722 KNEZXEMPUYMZCP-HNNXBMFYSA-N 297.358 3.523 30 20 CHED CS[C@@H](C)CC(=O)N(O)Cc1cccc2ccccc12 900091815 OMXYJYGGMCELJW-LBPRGKRZSA-N 289.400 3.699 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cncn1C(C)C 901452737 ZOQJYFKJMGXOSF-SOFGYWHQSA-N 284.359 3.677 30 20 CHED C=CCC(F)(F)C(=O)OCCCCC1(C#N)CCC1 909348053 UONNLZGCOVKXHA-UHFFFAOYSA-N 271.307 3.605 30 20 CHED CCCCCCCC(=O)NCCc1cccc(OC)c1 915702638 ZYKBKALSZWGWHO-UHFFFAOYSA-N 277.408 3.714 30 20 CHED Cc1ccccc1-c1nnc(S)n1N=C[C@H]1CC=CCC1 916341395 ARYCMKPJGWILSO-ZDUSSCGKSA-N 298.415 3.732 30 20 CHED C=C(Br)COc1ccc(F)c2c1C(=O)C[C@H]2C 918715454 ICMVQRUVALBYBI-SSDOTTSWSA-N 299.139 3.803 30 20 CHED C=CC[C@H](N[C@H]1CCC[C@@H](SC)C1)c1ccncc1 921746402 CIAAGFVHAVYEQZ-XHSDSOJGSA-N 276.449 3.963 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc2cccnc12 925706013 JHTAFZDKWADOKF-LBPRGKRZSA-N 253.349 3.975 30 20 CHED C=C1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 929927225 PLQNXSSTBIYZNN-UHFFFAOYSA-N 299.374 3.529 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(NC(=O)C(C)C)c1 930067121 VGONGWOFRMHEEF-CYBMUJFWSA-N 288.391 3.822 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(CN(C)CCCC)CC1 932702939 ZDCPEWHQQAONOX-INIZCTEOSA-N 294.483 3.559 30 20 CHED Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)cn1 933607995 UVKGEGVWIHBODU-UHFFFAOYSA-N 291.398 3.641 30 20 CHED CC(C)N(C(=O)CC#Cc1ccccc1)c1ccccc1 1116271177 IDWQSAQUEURJLH-UHFFFAOYSA-N 277.367 3.870 30 20 CHED CCn1nc(C)c(C=NNc2ccc(C)c(Cl)c2)c1C 1116379750 AVNMJMNQWACFOK-UHFFFAOYSA-N 290.798 3.928 30 20 CHED N#CC1(Cc2nnc(CCc3ccccc3)o2)CCCCC1 1118371487 DMMLPCAMXKXWKM-UHFFFAOYSA-N 295.386 3.871 30 20 CHED C#CCCCCC(=O)OCCSc1cccc(OC)c1 1118456417 FLKLUUSBTZJGQA-UHFFFAOYSA-N 292.400 3.524 30 20 CHED CC(C)(CCC#N)COC(=O)C12CCC(CC1)CC2 1122994562 FAZACRVZNLAZPS-UHFFFAOYSA-N 263.381 3.830 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(COC)c1 1123400767 YCDQZWLOQVZUHT-MRXNPFEDSA-N 288.391 3.796 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2cccc(C#N)c2)C1 1129904538 SKZOJDWDNGICKA-CQSZACIVSA-N 270.376 3.504 30 20 CHED CCSCc1ccc(Nc2ccncc2C#N)cc1 1163320276 WQVNVPVGZADRJS-UHFFFAOYSA-N 269.373 3.950 30 20 CHED Cc1nc(C#N)cc(S[C@H](C)c2ccc(F)cc2)n1 1185098976 VCOWLTVZTKMHKV-SECBINFHSA-N 273.336 3.649 30 20 CHED Cc1cc(=NCC[C@H]2C[C@@H](C)CC(C)(C)C2)c(C#N)c[nH]1 1186316398 SWMFZJLAMOIEOF-HIFRSBDPSA-N 285.435 3.948 30 20 CHED N#Cc1ccc(OCc2nsc3ccccc23)cc1 1188202307 RCOXTYSYJZQKBV-UHFFFAOYSA-N 266.325 3.747 30 20 CHED Cc1ccccc1C1(NC(=O)Nc2ccc(C#N)cc2)CC1 1214156866 MWWHEUOLWHSKBX-UHFFFAOYSA-N 291.354 3.678 30 20 CHED CC(C)(C)CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1220782439 IZUZUYAXFYSKBP-MRXNPFEDSA-N 299.418 3.671 30 20 CHED N#Cc1cc(-c2nnc(-c3ccccc3)o2)ccc1Cl 1253138560 XVYFVKHXWQVDRX-UHFFFAOYSA-N 281.702 3.929 30 20 CHED CO[C@@](C)(C=NNc1ccc(C)c(Cl)c1)C1CC1 1261235021 DVXYHIBBDDEITN-AWEZNQCLSA-N 266.772 3.861 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1nc(C(C)C)oc1C 1262809502 GVBZVIVGWDTCIW-ZDUSSCGKSA-N 276.380 3.677 30 20 CHED C=CCn1c([C@@H]2CCCC2(F)F)nnc1N(C)CCCC 1262979491 OQHKJKZHZUWDTF-LBPRGKRZSA-N 298.381 3.603 30 20 CHED C=C(Cn1c(C(C)C)nnc1N1CCCC1)c1ccccc1 1286615554 PUUQUZXWFJYLIC-UHFFFAOYSA-N 296.418 3.715 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 1290782542 OMCYWIVBEBMTGF-MEBBXXQBSA-N 292.329 3.535 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(-c2ccccc2)s1 1318516678 KORONWXCWGRWQF-UHFFFAOYSA-N 269.369 3.557 30 20 CHED CC(C)[C@H](Nc1cccc(CC#N)n1)c1ccccc1 1323958873 MWEBUUAMPCVSFS-KRWDZBQOSA-N 265.360 3.957 30 20 CHED C=C(C)C(C)(C)c1nnc(-c2cccc(N(C)C)c2)o1 1327326485 PSKNHHUDVXSHOB-UHFFFAOYSA-N 271.364 3.656 30 20 CHED Cc1coc(C(=O)N(c2ccccc2C#N)C2CCC2)c1 1331468767 ODQRPHXEGATVLG-UHFFFAOYSA-N 280.327 3.659 30 20 CHED CC(C)SCC(=O)N(c1ccccc1C#N)C1CCC1 1332587229 GACUWLDXDRMUQR-UHFFFAOYSA-N 288.416 3.585 30 20 CHED C=C[C@H](C(=O)N1CCC[C@@H]1c1cc(C)on1)c1ccccc1 1346152462 HKKDPNAEEJVPAM-DOTOQJQBSA-N 296.370 3.616 30 20 CHED C=C(CC(C)C)C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 1347018928 UKHYRMIFEMOXCC-BBWFWOEESA-N 293.451 3.521 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2ccccc2s1 1349908239 XTYOCXKATDGXEY-LBPRGKRZSA-N 272.373 3.666 30 20 CHED C=C(C)[C@H](Cc1nc(-c2cc3ccccc3[nH]2)no1)OCC 1350927358 RELRVOFISLGEGL-HNNXBMFYSA-N 297.358 3.742 30 20 CHED C=C(C)CCC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 1353609860 WCVNOQYMPXAQHV-RYUDHWBXSA-N 277.330 3.828 30 20 CHED CCC(C)(C)c1ccc(CN2CC[C@](F)(C#N)C2)cc1 1459949551 JRUCHPGUPRWLHV-KRWDZBQOSA-N 274.383 3.812 30 20 CHED Cc1cc(NC(=O)c2c[nH]c(C#N)c2)c2ccccc2c1 1468192016 ZBPFXHJIHLACLY-UHFFFAOYSA-N 275.311 3.600 30 20 CHED COC(=O)c1ccccc1CSCc1cccc(C#N)c1 1473056313 SFPKJTAZYSSYJE-UHFFFAOYSA-N 297.379 3.778 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCc2cc(F)ccc21 1515016637 BOWMOTRHURLPMG-OAHLLOKOSA-N 298.292 3.505 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C#N)cc(C)n1)c1ccccc1 1523625463 YBLYGIGOPLVHMW-MRXNPFEDSA-N 293.370 3.784 30 20 CHED C=CCCCCCN(C)Cc1ccc(C)c(C(=O)O)c1 1588800071 ZDJRPKXDJRQGJS-UHFFFAOYSA-N 275.392 3.871 30 20 CHED Cc1cc(Cl)ccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1596979442 YFWQFDCRHVMGEO-WCQYABFASA-N 277.751 3.888 30 20 CHED C[C@@H](c1ccccc1)N(C)c1nc(C#N)c(Cl)s1 1611738037 RZMAFLAVPZQSBE-VIFPVBQESA-N 277.780 3.866 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H](CC)C2CC2)cc1C#N 1621243291 FEMFOQDETKFMLF-AWEZNQCLSA-N 287.363 3.727 30 20 CHED C[C@@H](COCC1CCCCC1)NCc1ccc(C#N)s1 1644599925 HXFUHCSVMLNIHV-ZDUSSCGKSA-N 292.448 3.695 30 20 CHED N#CC1(CCN2CCC=C(Cl)C2)CCCCC1 1659236311 YEMQUZKHWIICRW-UHFFFAOYSA-N 252.789 3.679 30 20 CHED CC[C@H](CC#N)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1664167136 SRPKWSWFJRSROK-VNQPRFMTSA-N 272.392 3.514 30 20 CHED C[C@@H]1CCCCCC1=NNc1ccccc1C(=O)O 1776031210 SLGQXLIBCORPCL-LLVKDONJSA-N 260.337 3.753 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1ccc(C(=O)O)c(F)c1 1776074569 IGYUDXIQUUBLBF-FZMZJTMJSA-N 290.338 3.914 30 20 CHED Cc1c(NN=C[C@H]2CCC[C@H](C)C2)cccc1C(=O)O 1776087020 DLCCVZSEGFZOPY-AAEUAGOBSA-N 274.364 3.917 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1ccc(C)nc1C 1776087862 BKWHAULWEQRBAD-UHFFFAOYSA-N 297.358 3.541 30 20 CHED C=CCC(C)(C)CC(=O)Nc1cccc(CCC(=O)O)c1 1776150821 XPVSHAJPDZKGMR-UHFFFAOYSA-N 289.375 3.635 30 20 CHED Cc1cccc2c1CC/C(=C/c1ccc(C(=O)O)s1)C2=O 1777457381 PQOWIWUOUPECTJ-LUAWRHEFSA-N 298.363 3.967 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1sccc1C#N 52030932 ZCUWXHQBJQORNN-UHFFFAOYSA-N 286.356 3.659 30 20 CHED COc1cc(C#N)ccc1OCc1ccccc1OC(C)C 54912058 PLOOKPMCSDZLDF-UHFFFAOYSA-N 297.354 3.933 30 20 CHED C=CCn1c(SC(C)C)nnc1-c1cccc(OC)c1 59807747 XIEPNBCPXSPPQG-UHFFFAOYSA-N 289.404 3.640 30 20 CHED C=CCCCC(=O)N[C@@H]1CCSc2ccc(F)cc21 175137751 RZBFQTZJCHALLI-CYBMUJFWSA-N 279.380 3.835 30 20 CHED C=CC1CCN(C(=O)C[C@H](C)c2cccc(OC)c2)CC1 177253380 FCTCNCZOFVLANO-AWEZNQCLSA-N 287.403 3.613 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@@H](CC)c1ccc(C)cc1 119120980 MKPWFRRLVFFOII-HUUCEWRRSA-N 259.393 3.960 30 20 CHED C=CCCOC(=O)c1csc(-c2ccc(OC)cc2)n1 103647829 XLUPWLXPNAMVMD-UHFFFAOYSA-N 289.356 3.552 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1cccc2ccccc12 23676624 DCCNSLXGMHLSQP-CABCVRRESA-N 277.371 3.934 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2c(C)cccc2C)s1 179783451 VYNQMUTYHDJXJR-UHFFFAOYSA-N 298.411 3.980 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)cs1)c1cccs1 176974340 XLZVQZMWEQXEGJ-SNVBAGLBSA-N 276.386 3.562 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)Sc1ccccc1 303489011 PRWQQQWKNWPRLI-HNNXBMFYSA-N 277.433 3.982 30 20 CHED N#Cc1csc(CNC[C@@H]2CCCc3ccccc32)c1 177682953 NCGBATPVMWCKFS-HNNXBMFYSA-N 282.412 3.829 30 20 CHED C=CCCC[C@@H](C)Nc1nc(C(F)(F)F)nc2[nH]cnc12 302897204 RHNFGIPHHDBGRL-MRVPVSSYSA-N 299.300 3.528 30 20 CHED C=CC[C@@H](C)NC(=O)N(Cc1ccccc1)CC1CCC1 116971032 HHLYNYSLXOHSKZ-OAHLLOKOSA-N 286.419 3.963 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cnc(-c2ccccc2)s1 1349907916 WCHUXEPAWZUVSI-ZDUSSCGKSA-N 299.399 3.574 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)[C@@H](c1ccccc1)C(C)C 112588893 RZPUBZXKQGEDSS-DOTOQJQBSA-N 289.419 3.823 30 20 CHED C#CCOC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 303502585 MQWFBSBEOWLHCT-UHFFFAOYSA-N 288.249 3.547 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1cccc(Cl)c1 111681992 ZXXWQNSBTVEVIH-FPLPWBNLSA-N 258.704 3.942 30 20 CHED C/C(=C\C(=O)Nc1ccc(F)cc1C#N)c1ccc(F)cc1 177587232 JYYVNMUMHGNUFS-DHZHZOJOSA-N 298.292 3.878 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc([C@H]2CCOC2)c1 1262810115 YCTFGZOQQRTOBK-ROUUACIJSA-N 299.414 3.761 30 20 CHED N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)c(F)c1 63507993 MLJJSLZQBUJLTI-INIZCTEOSA-N 299.349 3.539 30 20 CHED C/C(=C\C(=O)Nc1ccc(C#N)cn1)c1ccccc1Cl 171864887 KYAGFCIJKLTMRC-DHZHZOJOSA-N 297.745 3.649 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)Cc2cccc(F)c2)c1 68767268 JPUXTFLAJAQKFE-ZDUSSCGKSA-N 281.330 3.624 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)c1ccco1)c1cccs1 1345106766 XBMOFXQJMXKURM-GXFFZTMASA-N 275.329 3.789 30 20 CHED N#CCCCCN1CCC[C@H](c2nc3ccccc3o2)C1 120080997 MUPFIVMDVSTPIP-AWEZNQCLSA-N 283.375 3.701 30 20 CHED Cc1cccc([C@H](C)Nc2ncccc2C#N)c1C 301290777 NNRUXAFRAFCLFT-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc([N+](=O)[O-])c(Cl)c1 302873979 DQOFVDVVDZNGKW-UHFFFAOYSA-N 299.673 3.784 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cccc(F)c1F 182596928 DBGGSDKDHWNKOP-NSHDSACASA-N 288.297 3.868 30 20 CHED C=CCOC(=O)CCc1ncc(-c2ccccc2Cl)o1 74252529 PDAISBSBFUYXPX-UHFFFAOYSA-N 291.734 3.657 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](CC)c1ccncc1 181391212 QIYMAXSBYPUFLK-GDBMZVCRSA-N 289.423 3.919 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)c(F)cc1F 182610789 FBRLOWLETTTZGR-NSHDSACASA-N 267.319 3.748 30 20 CHED Cc1cc(C)c(CN[C@H]2CCC[C@H](C#N)C2)c(C)c1 185802416 PJLYFIZHNKHDLO-HOTGVXAUSA-N 256.393 3.784 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cc(-c3ccccc3)on2)C1 185806904 LDYXSIZOXCIDBG-ZFWWWQNUSA-N 281.359 3.514 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1C 182601438 WXFNWYXLDXXJBI-BHYGNILZSA-N 271.404 3.960 30 20 CHED Cc1cc(F)c(C(=O)OCc2ccc(C#N)cc2)cc1F 125180917 QLUJPJHKSHHUJJ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1C)CO2 210380035 BEAXFJLUCKOKGI-ZROIWOOFSA-N 280.323 3.662 30 20 CHED N#CCC[C@H](C#N)CN1CCC(CCc2ccccc2)CC1 73415150 LXTFFJOTCWNDBR-LJQANCHMSA-N 295.430 3.775 30 20 CHED C[C@H](CCC#N)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 412077848 UAYSQGZCAMZELY-HUUCEWRRSA-N 294.439 3.513 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C)c(C)c2ncccc12 185929229 GIEFREQZHOYSFQ-UHFFFAOYSA-N 280.371 3.840 30 20 CHED C/C=C(\CC)C(=O)Nc1cc(C#N)ccc1OC(C)C 188665194 YOMULEOYEXDABJ-WLRTZDKTSA-N 272.348 3.640 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CS[C@@H](C)c1cccs1 77961098 STHBKOJSAQQCHQ-NEPJUHHUSA-N 296.461 3.550 30 20 CHED C=C[C@](C)(CCOC)c1nc(C2CCCCC2)no1 188018115 YKRXPSQGUZVYIS-OAHLLOKOSA-N 264.369 3.598 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H](C)CC)c1ccc(F)c(F)c1 186041107 RUKRNDHREWHAHU-QMTHXVAHSA-N 267.319 3.744 30 20 CHED Cc1ccc(-c2cncc(C(=O)O[C@@H](C#N)C3CC3)c2)cc1 126055360 GEZALNIJIBLNBI-KRWDZBQOSA-N 292.338 3.516 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2cccc(C3CC3)c2)C1 413471316 NQZVXGJGEBSBDT-KUHUBIRLSA-N 296.414 3.695 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc(C2CC2)cc1 416075881 GEDRPNPUSDYQMH-SJKOYZFVSA-N 270.376 3.681 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 188071616 YERXLAIDJDSPSQ-SECBINFHSA-N 287.190 3.882 30 20 CHED CC(C)C[C@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl 185553007 KNDKAOINKZCGRW-FZMZJTMJSA-N 278.783 3.703 30 20 CHED COc1cccc(OC)c1OCCC1(C#N)CCCCC1 418772412 ZJYBAGOOPBUJKT-UHFFFAOYSA-N 289.375 3.947 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(SC)cc1 44764746 RKXJIIYIADMKGL-UHFFFAOYSA-N 262.378 3.677 30 20 CHED C=CCC1(C(=O)N2CCC[C@H]3CCC[C@H]32)CCCC1 410523305 BUFXDHMXSLNAEC-HUUCEWRRSA-N 261.409 3.914 30 20 CHED N#Cc1c(F)cccc1Oc1ncccc1Br 42376467 ZDRSCVKYWFTCHQ-UHFFFAOYSA-N 293.095 3.647 30 20 CHED CC1(C)CCC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 329827140 IXRVPZKUXVOMKY-INIZCTEOSA-N 296.414 3.940 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1c(F)cccc1Cl 81511486 MIJFVFHHNYHEKL-NXEZZACHSA-N 284.762 3.804 30 20 CHED Cc1cc(C2CC2)nc(N=C(O)C2C(C)(C)C2(C)C)n1 329768089 GGOBKPMSQRDCFE-UHFFFAOYSA-N 273.380 3.933 30 20 CHED N#C[C@@H](C(=O)c1cccc(C(F)F)c1)c1ccccn1 171566266 LODRIPMAZHFVNM-GFCCVEGCSA-N 272.254 3.509 30 20 CHED Cc1nc(-c2ccccc2)sc1C(=O)OC(C)(C)C#N 194500268 ZFCXMVGOTAUHFH-UHFFFAOYSA-N 286.356 3.578 30 20 CHED C#CCCCCNc1ccc(Br)cc1[N+](=O)[O-] 229738115 ZIGJUHVFHNQYHR-UHFFFAOYSA-N 297.152 3.573 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 505611013 PMWJTJKEZTULCU-UUMMVJRDSA-N 288.435 3.601 30 20 CHED O=C(/C=C/c1cncs1)c1ccc2ccccc2c1O 130114105 CQQATKPAGITMIJ-SOFGYWHQSA-N 281.336 3.898 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2c(s1)C[C@H](C)CC2 426566000 DIGUPKIYAZNQLU-CHWSQXEVSA-N 276.449 3.808 30 20 CHED O=C(/C=C/c1c(F)cccc1Cl)c1ccncc1 192761680 NGOZWPPVKSLFMN-SNAWJCMRSA-N 261.683 3.770 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@H](C)C2)c1 48955428 MRAJQPNEGFCSKC-ZDUSSCGKSA-N 274.364 3.515 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@H]1C[C@@H]1C1CC1 329152424 BHHGDUZXRMCQLV-GFQSEFKGSA-N 278.396 3.523 30 20 CHED N#Cc1cccc(SCc2cc(F)ccc2C#N)c1 131276344 PKMRGNWCKVAKSJ-UHFFFAOYSA-N 268.316 3.861 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 510384316 WNTNETYMNVTVGX-LRDDRELGSA-N 298.773 3.705 30 20 CHED CCCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 41536193 IIQDMUDZYMZKIW-LBPRGKRZSA-N 270.357 3.786 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)CC(C)(C)OC)c1ccccc1 135928569 QIOKMXZFNUHMKR-LSDHHAIUSA-N 289.419 3.666 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2CC[C@@H](C)C[C@H]2C)C1 328893361 UZYGBWOWYGHBPD-FHUSYTEZSA-N 266.385 3.523 30 20 CHED CC(C)(C#N)CCSc1ncnc2ccccc12 87596250 NECPAMPJDLOJJZ-UHFFFAOYSA-N 257.362 3.662 30 20 CHED C=C(C)CNCc1ccccc1OCc1ccccc1 380924249 BHWWUADLYABFQA-UHFFFAOYSA-N 267.372 3.931 30 20 CHED CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 49295054 QFDGOGBKXAQKKM-UHFFFAOYSA-N 266.300 3.699 30 20 CHED Cc1ncc(N=C(O)C[C@H]2CCOc3ccccc32)s1 328770151 GPUXMSVHBDYVBO-LLVKDONJSA-N 288.372 3.996 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)c2ccc(C)s2)c1 48955172 WVSMPLFZODERKI-GFCCVEGCSA-N 284.384 3.921 30 20 CHED C=CCCNC1(c2cccc(Br)c2)CCC1 381382789 LDOVEMKVZQYJFJ-UHFFFAOYSA-N 280.209 3.994 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1ccc(F)cc1C#N 226125836 VIELXKKNMJIACV-UONOGXRCSA-N 264.369 3.783 30 20 CHED CC(=O)c1ccsc1NCc1cccc(F)c1C#N 427429058 RQVHJWMZEGBWPY-UHFFFAOYSA-N 274.320 3.574 30 20 CHED C=CC[C@H](C)NC(=O)c1c[nH]cc1-c1ccccc1F 426876708 VTGATHQHPIYVSN-NSHDSACASA-N 272.323 3.515 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(F)c(OC)cc1F 336093847 JXRBTCTXHZUANB-SNVBAGLBSA-N 296.317 3.546 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)Cc1cc(C#N)n(C)c1 191225269 PFSLSXUPPPZVAU-GFCCVEGCSA-N 287.794 3.743 30 20 CHED CC(C)c1cccc(N(C)C(=O)c2ccc(C#N)c(O)c2)c1 191003307 FLPXNRPNLWIHFS-UHFFFAOYSA-N 294.354 3.664 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 513288213 ZZQOXDHMMSYVHP-DGCLKSJQSA-N 290.794 3.910 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)c(Cl)c1 334527885 WLZDKSBDLWFSSD-JYAVWHMHSA-N 288.778 3.781 30 20 CHED C=CCN(CCC#N)[C@H]1CCc2c(Cl)cccc21 428847354 GCPRDKLEDHDRMO-HNNXBMFYSA-N 260.768 3.729 30 20 CHED Cc1nc(-c2ccc(NC(=O)[C@@]3(C#N)C[C@H]3C)cc2)cs1 336237008 DQBNNDQZBZYMDU-QLJPJBMISA-N 297.383 3.607 30 20 CHED N#Cc1cccc(OCCSCCC(F)(F)F)c1 265886075 PVWODBOOERZRIQ-UHFFFAOYSA-N 275.295 3.623 30 20 CHED CC(C)c1ccc(C(=O)N2CCc3c(C#N)cccc32)cc1 421650503 HHYQCRJVRRGPJS-UHFFFAOYSA-N 290.366 3.885 30 20 CHED C=C(C)CN(CC)C(=O)NC1CCC(CCC)CC1 516244171 ANFRYEABVZOXQZ-UHFFFAOYSA-N 266.429 3.953 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccccc1C(F)F 425650541 SWMBHGQNCGIWLO-HNNXBMFYSA-N 283.318 3.792 30 20 CHED CC1(C#N)CCC(Nc2cccc(-n3cccn3)c2)CC1 334577624 RXTARABFYALBFC-UHFFFAOYSA-N 280.375 3.757 30 20 CHED CC(C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 96592927 XGAVASHHBBFICA-ZDUSSCGKSA-N 287.363 3.729 30 20 CHED N#Cc1ccc(NC(=O)N2CCc3cc(Cl)ccc32)cc1 513549638 WRCARCVBSREUSY-UHFFFAOYSA-N 297.745 3.806 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)CC1CCCCC1 512146086 GCISSPSGGYJHQR-UHFFFAOYSA-N 277.408 3.730 30 20 CHED CC[C@@H](N/C(O)=N/Cc1nc(C(C)(C)C)cs1)C(C)C 330622299 NQBSGKKAEFMBIB-LLVKDONJSA-N 297.468 3.879 30 20 CHED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CC1(C)C 335864239 LXBSPOLXTPGHFF-AWEZNQCLSA-N 285.391 3.750 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@H](CC)c1c(C)noc1C 330477656 WKXMTZUNGDKWQE-LLVKDONJSA-N 291.351 3.606 30 20 CHED C=C(C)COCCN[C@@H]1CCSc2ccc(F)cc21 90451396 PFGNAQFXTDAISN-CQSZACIVSA-N 281.396 3.545 30 20 CHED Cc1cc(F)ccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 336562272 MRNDLVJDHBBSGH-LBPRGKRZSA-N 282.318 3.748 30 20 CHED CC(C)(C#N)CCCC[S@](=O)c1ccccc1F 232526625 NGZBMVWILBQRMV-SFHVURJKSA-N 267.369 3.653 30 20 CHED Cc1cc(C)cc(C2=CCN(C(=O)C3(C#N)CCC3)CC2)c1 91822403 BBAJWMBWESCFCF-UHFFFAOYSA-N 294.398 3.613 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H](CCC#N)c1ccccc1 248570682 RVKFRBXPKQETMZ-DJIMGWMZSA-N 299.418 3.861 30 20 CHED CC(C)N(CCCC(C)(C)C#N)Cc1ccccn1 531342459 WSQTZFKIDVVQFI-UHFFFAOYSA-N 259.397 3.622 30 20 CHED COc1ccc(C[C@H](C)CN[C@@H]2CCC[C@@H](C#N)C2)cc1 248838229 NJNZNPLAJFTQLZ-USXIJHARSA-N 286.419 3.546 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(COC)c(C#N)c1 529814616 SDXRLPPTLFJYLH-CYBMUJFWSA-N 288.391 3.715 30 20 CHED C=C(CNC(=O)c1ccnc2ccccc12)c1ccccc1 345711444 MEBBJSMJUDFRLM-UHFFFAOYSA-N 288.350 3.678 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@@H](C)C1 345303925 KUSSGEJNJQAKMV-OCCSQVGLSA-N 285.391 3.755 30 20 CHED C[C@H](SCc1ccc(CC#N)cc1)c1cnccn1 342744879 UPFJWAXZYAAQDH-LBPRGKRZSA-N 269.373 3.537 30 20 CHED Cc1ccc(CNC(=O)Nc2cccc(C#N)c2C)c(C)c1 432297829 LCWGTZZCWRGFLX-UHFFFAOYSA-N 293.370 3.805 30 20 CHED Cc1nsc(NCCc2cc3ccccc3o2)c1C#N 342352267 UUGUDBBMTWOAAV-UHFFFAOYSA-N 283.356 3.724 30 20 CHED CCCOc1cc(C)ccc1NCc1cccc(C#N)n1 602490512 FEZKOXFRHSYPDI-UHFFFAOYSA-N 281.359 3.663 30 20 CHED C[C@@H](Nc1c(Cl)cccc1C#N)c1cncs1 340846411 DXHSUUKNFUQHBK-MRVPVSSYSA-N 263.753 3.841 30 20 CHED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccn(C)n1 349758632 NJHUPLKZZNTXHW-CVEARBPZSA-N 282.391 3.506 30 20 CHED CCC(CC)c1cc(CNC[C@H](C)CCC#N)on1 602556923 GWPQSMCWMCQCTL-GFCCVEGCSA-N 263.385 3.608 30 20 CHED CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)cc1 346269327 GYHITKRJXSNQJV-UHFFFAOYSA-N 296.345 3.750 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(C#N)s1 255379264 UAJWJRKBUZWPSJ-VURMDHGXSA-N 269.325 3.524 30 20 CHED CN(C(=O)[C@@H]1CCCC(C)(C)C1)c1ccc(C#N)cc1 534472699 INUWQPWIPPWWMN-CQSZACIVSA-N 270.376 3.737 30 20 CHED CC1=C(C)C[C@@H](C(=O)N2CCCc3cc(C#N)ccc32)CC1 520815741 XXWGRRLLSCZKEB-KRWDZBQOSA-N 294.398 3.974 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccc(C)c(C)c1 521114051 PVDZXCBNSWBNHT-UHFFFAOYSA-N 295.382 3.798 30 20 CHED N#Cc1cccc(CN(CCc2ccc(F)cc2)C2CC2)c1 522660175 GVFLBDGMMZQUQZ-UHFFFAOYSA-N 294.373 3.904 30 20 CHED CCc1cnc(CN(Cc2ccc(C#N)cc2)C(C)C)s1 346144463 FOQJHIUUWLDNBL-UHFFFAOYSA-N 299.443 3.988 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3ccccn23)cc1 254967439 QQMJRMZVXDGPMW-KTKRTIGZSA-N 262.312 3.539 30 20 CHED CCOC(=O)N(C)c1ccc(N=Cc2ccccc2O)cc1 255384184 KSFNRGSHYPQWFC-UHFFFAOYSA-N 298.342 3.736 30 20 CHED Cc1sc(NC(=O)COC2CCCCC2)c(C#N)c1C 341473353 YKPSZSPRKVKIKQ-UHFFFAOYSA-N 292.404 3.524 30 20 CHED COc1cc(CNc2ncccc2C(C)C)ccc1C#N 443060143 OFKFFJQVOFFDCR-UHFFFAOYSA-N 281.359 3.697 30 20 CHED CCOc1ccc(C=NOCc2cccc(OC)c2)cc1 255266123 QYLRVZSDVSZIEK-UHFFFAOYSA-N 285.343 3.645 30 20 CHED CSc1ccc(/C=C\C(=O)c2cc(O)cc(O)c2)cc1 255072097 KPEOYGKMOLTAOO-DAXSKMNVSA-N 286.352 3.716 30 20 CHED C=CC(C)(C)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 448794854 CJLXHMAFTNRIIC-UHFFFAOYSA-N 284.403 3.922 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1 355397108 HRCGBMZKMLAJJQ-UHFFFAOYSA-N 285.734 3.506 30 20 CHED COc1ccc(O)c(C=Nc2ccc(C)cc2C)c1 254440500 RAUYCOWXMYREHC-UHFFFAOYSA-N 255.317 3.768 30 20 CHED Cc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1[N+](=O)[O-] 255229140 BQTCBGCMXINMJC-AWNIVKPZSA-N 297.285 3.865 30 20 CHED CC1CCC(CN[C@H](C)CC2(C#N)CCOCC2)CC1 602527609 RCNBJNBUQNLJDF-HWOWSKLDSA-N 278.440 3.501 30 20 CHED C=CC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 441384529 BVFJARASQKOMLY-LBPRGKRZSA-N 260.337 3.554 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Cl)c(C#N)c1 538684812 NNFYTNUGAQIGHR-ABAIWWIYSA-N 290.794 3.862 30 20 CHED CC[C@@H](c1ccncc1)N(C)c1ccc(Cl)c(C#N)n1 267224623 OQEHJWYQSPBSEX-AWEZNQCLSA-N 286.766 3.589 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cc2F)CC12CCC2 357023692 LNPNWOCOOARPLW-ZDUSSCGKSA-N 272.367 3.709 30 20 CHED C[C@H](CCC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612236601 MEHWNCAIVDMYRA-QAPCUYQASA-N 284.403 3.723 30 20 CHED COc1ccc(Br)cc1CON=C1CCC1 265459788 MRIKQZBEWIQMJC-UHFFFAOYSA-N 284.153 3.514 30 20 CHED C=CCCNC(C)(C)c1ccc(OC(F)(F)F)cc1 530552926 NQDBWVIYZJTMHF-UHFFFAOYSA-N 273.298 3.986 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCOc1ccc(F)cc1 539438226 YQCZXVGNBPSXFK-CQSZACIVSA-N 293.382 3.846 30 20 CHED CSCc1ccc(CNCc2cc(C#N)cs2)cc1 353063468 MQFPGMNOKGMPIW-UHFFFAOYSA-N 288.441 3.773 30 20 CHED C#C[C@H](/N=C(\N)Nc1ccc([C@H](C)CC)cc1)C(C)C 262244805 YLODJVCDYRIQHW-CJNGLKHVSA-N 271.408 3.585 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 613238866 FNVFNDUPNVKMFI-SJLPKXTDSA-N 283.415 3.822 30 20 CHED C=CC(C)(C)CNCc1ccc(SC)c(OC)c1 449486409 SBUUWYUFGWITSI-UHFFFAOYSA-N 265.422 3.719 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 615475061 FHVIUTSQURWJRR-CPUCHLNUSA-N 299.418 3.887 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc2c(c1)CCO2 353424362 UPBROISEYRWNQR-UHFFFAOYSA-N 286.419 3.773 30 20 CHED CCc1noc(C)c1CSCc1cccc(C#N)c1 268098991 BMWCKOUBLNVYFW-UHFFFAOYSA-N 272.373 3.851 30 20 CHED CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H]1CC[C@H](C#N)C1 442871361 LKUYZRHSMCZQDI-RKLWJJNISA-N 292.810 3.698 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CO[C@H]1CCC[C@@H](C)C1 530348184 PXYUHNWPSDDRJG-CABCVRRESA-N 294.439 3.513 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C#N)CC(C)C 614419217 FYNPDOCGHBGHBX-CYBMUJFWSA-N 288.416 3.633 30 20 CHED C=C[C@H](S[C@H]1CCCc2ccccc21)C(=O)OC 619689107 NQGBQYZWFZDUDR-KBPBESRZSA-N 262.374 3.525 30 20 CHED C=CC(C)(C)C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 450179297 VVRAJRSFYHRYPI-OAHLLOKOSA-N 271.404 3.851 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@@]1(C#N)CC1(C)C 362189044 VAWCAKBANGIWCX-PJIJBLCYSA-N 296.414 3.784 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C1 610352049 BBMPNEANACDDLJ-CKEIUWERSA-N 299.418 3.887 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](c1ccccc1)C(C)C)OCC 533703586 GPPBPQLWNQDGNB-WMZOPIPTSA-N 289.419 3.871 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccccc1C)C(C)C 539262439 IEINWAMJPUPEFF-NVXWUHKLSA-N 261.409 3.609 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccccc2OCC)C1 617787706 VLQQWCUPBZZVFU-AWEZNQCLSA-N 273.376 3.514 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc2c1CCO2 619466073 FZFMCPJNHNGNDK-QGZVFWFLSA-N 290.366 3.983 30 20 CHED C=CCCNC(=O)[C@@H](C)Sc1ccccc1Cl 617614627 HXAQIZDMFPZJOK-SNVBAGLBSA-N 269.797 3.513 30 20 CHED N#C[C@@H](Sc1ccc(Cl)nn1)C1CCCCC1 265153617 GTILFLZPHNFTMV-SNVBAGLBSA-N 267.785 3.695 30 20 CHED CC(C)(C#N)CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 611688526 UXWFGMYIJQOVNB-IAGOWNOFSA-N 292.382 3.609 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1ccccc1F 455373300 VXQCIAPUMQNJQH-LBPRGKRZSA-N 278.371 3.740 30 20 CHED C=CCCCCN[C@H]1CCCc2nc(C)sc21 274582957 LJOIBJFPPATVCX-LBPRGKRZSA-N 250.411 3.775 30 20 CHED C#CCCCCC(=O)NCCc1ccccc1C(F)(F)F 271339042 BJIIBBWTSJHBRW-UHFFFAOYSA-N 297.320 3.558 30 20 CHED CCN(Cc1ccc(COC)o1)[C@H](C)c1ccc(C#N)cc1 271098759 OHWLURLRKMCGGY-CQSZACIVSA-N 298.386 3.881 30 20 CHED CCN(CC)Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 274209158 MZQQKVCKEOXWPG-OALUTQOASA-N 299.462 3.700 30 20 CHED C=CCC(C)(C)C(=O)N1CC(CC)(c2ccccc2)C1 458210452 FCYRKLSPBJEUBM-UHFFFAOYSA-N 271.404 3.779 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]1CN1CCCCC1 364350512 GOSJCSUEVXMOTR-QGZVFWFLSA-N 291.483 3.657 30 20 CHED C=CCN(Cc1ccc(F)c(C(F)(F)F)c1)C1CC1 544597725 AJJPFXILCPQABI-UHFFFAOYSA-N 273.273 3.995 30 20 CHED CCC[C@@H](C(=O)N(CCC#N)Cc1ccco1)C(C)C 270662599 NEFKWGGGIDUCKB-OAHLLOKOSA-N 276.380 3.594 30 20 CHED C=CCC1(CNC(=O)NCC(C)(C)CCC#N)CCCC1 454958513 LBSWFNOTAWTWOI-UHFFFAOYSA-N 291.439 3.752 30 20 CHED CCN(CCC#N)Cc1ccc(-c2cccc(F)c2F)o1 361500344 CWYQFSMSBUSYED-UHFFFAOYSA-N 290.313 3.960 30 20 CHED Cc1ccc(CNC(=O)c2ccc(C#N)c(Cl)c2)c(C)c1 548607415 SGPHACYCNDFASQ-UHFFFAOYSA-N 298.773 3.759 30 20 CHED COc1cc(NCC(C)(C)CCC#N)cc(-n2cccn2)c1 279677301 OEGPTTBTMVXRKO-UHFFFAOYSA-N 298.390 3.623 30 20 CHED C=CC(C)(C)CNC(=O)N1CCCC[C@@H]1CCC 458985187 HVFMAXDPLOEYNF-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CCCC1(C(=O)N2CC(C)(CC(F)(F)F)C2)CC1 457107692 WPGVWECZIXJUCY-UHFFFAOYSA-N 275.314 3.534 30 20 CHED CC(C)[C@@H](NCCCCC(C)(C)C#N)C1(CO)CCCC1 459547216 VLIHWOUVVNGHDG-MRXNPFEDSA-N 294.483 3.873 30 20 CHED C[C@H](CCC#N)N(C)CCc1ccc(Br)cc1 276322616 PEVZMRARDIVYKS-GFCCVEGCSA-N 295.224 3.616 30 20 CHED C=CCCCCCN(C)c1nnc(C2CCCC2)n1C 548841316 GNQSDTLYPCJASL-UHFFFAOYSA-N 276.428 3.655 30 20 CHED C=CCCC(=O)N(CCOCC)[C@@H]1CCc2ccccc21 628956003 JAMJQEFMYLGQKH-QGZVFWFLSA-N 287.403 3.505 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cc([N+](=O)[O-])ccc1C 545979140 KZHPXARJFLRGJL-OLZOCXBDSA-N 262.353 3.909 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 277001749 ZHLZKZGHVAPHFF-YVEFUNNKSA-N 291.366 3.506 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCC[C@H]1CCCC 467017020 ZKALQQITZJDWRT-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C=CCC[C@H](C)NCc1nn(-c2ccccc2)c2c1CCC2 542667516 PVRXOZOGXQTHAI-HNNXBMFYSA-N 295.430 3.805 30 20 CHED C=CCN(C(=O)Cc1ccc2ccccc2c1)C1CC1 271436070 BXPGLZIZDOHSCJ-UHFFFAOYSA-N 265.356 3.559 30 20 CHED CC(C)c1ccc(C[C@@H](C)NC(=O)CC(C)(C)C#N)cc1 278293128 CVDXBXWCRAPHGP-CQSZACIVSA-N 286.419 3.797 30 20 CHED CCO[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(CC)CC 540611747 DIGUZVVHWBAWPR-GJZGRUSLSA-N 292.448 3.693 30 20 CHED CCCC[C@@H](C)C(=O)N[C@](C)(C#N)C1CCCCC1 548828509 GKOXQEDLOXHCEC-CZUORRHYSA-N 264.413 3.791 30 20 CHED CCc1cc(C#N)c(NC(=O)CC2CC(F)(F)C2)s1 460015389 CLRVZFWQHVATBR-UHFFFAOYSA-N 284.331 3.556 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1c[nH]c2c(C)cccc12 620858907 SRNYPLKJOKIHIC-UHFFFAOYSA-N 284.403 3.880 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(F)c(SC)c(F)c1 286100111 OOGWLAKFJSPWBG-CYBMUJFWSA-N 284.331 3.565 30 20 CHED Cc1ccc2nc(CNc3cccc(Cl)c3C#N)cn2c1 550924603 IBACPGZPBSMODL-UHFFFAOYSA-N 296.761 3.780 30 20 CHED N#Cc1ccc(CNc2cc(C3CC3)ccn2)s1 289909946 UQXDZFLGOZWUCX-UHFFFAOYSA-N 255.346 3.504 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(Cl)cc1OCC 467964493 SCMMCQJSVYBWKD-MRXNPFEDSA-N 295.810 3.957 30 20 CHED CC(C)(C#N)C(=O)Oc1ccc(SC(F)(F)F)cc1 285694479 CIABXZXHEGROEI-UHFFFAOYSA-N 289.278 3.754 30 20 CHED N#CCCCCN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 286102933 NIESESMCSBUXGZ-JKSUJKDBSA-N 294.345 3.548 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N[C@@](C)(C#N)C(C)(C)C 464160083 VMOHZTRSPBCJQV-LRDDRELGSA-N 266.429 3.893 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 559719786 PEJWJXMYDKEMDH-CIRFHOKZSA-N 283.415 3.899 30 20 CHED C=CCC[C@@H](NCCC(=O)Nc1ccccc1)c1ccco1 286339467 YGRRGKKEETYKEE-MRXNPFEDSA-N 298.386 3.905 30 20 CHED C=C1CC(C)(C(=O)Nc2ccc(-c3cnco3)cc2)C1 630776498 ASJIXYCSEXQHCW-UHFFFAOYSA-N 268.316 3.636 30 20 CHED Cc1nc2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2o1 294615938 YHPLIWJWDRQRRW-KRWDZBQOSA-N 295.342 3.549 30 20 CHED C=CCCCCCCNC(=O)c1ccc(F)c(OC)c1 805218067 QUFFULPYGXGEBE-UHFFFAOYSA-N 279.355 3.701 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1cccc(Cl)c1F 478821467 BABKDPFRWRUPIB-LLVKDONJSA-N 299.773 3.671 30 20 CHED CC#CC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 801164444 NEQPFLIQJDRDKB-UHFFFAOYSA-N 281.359 3.572 30 20 CHED CN(CCCOc1ccc(Cl)cc1)[C@@H]1CC[C@H](C#N)C1 556105155 RSTUYFUXLXLPPY-DZGCQCFKSA-N 292.810 3.733 30 20 CHED CC1(c2ccccc2)CCN([C@H]2CC[C@@H](C#N)C2)CC1 293890713 VCZJNCACLZVGNA-WBVHZDCISA-N 268.404 3.732 30 20 CHED Cc1ccc(COC(=O)[C@@]2(C#N)CC23CCCC3)cc1 297330117 STEUCUMXKKUPLV-KRWDZBQOSA-N 269.344 3.512 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)COc2cccc(C)c2)CC1 475110741 AFULLXKRGAQWRT-HNNXBMFYSA-N 287.403 3.625 30 20 CHED C=CCCCC(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 298262707 GOVUVGZMBXQXQC-UHFFFAOYSA-N 297.402 3.652 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3nncs3)cc2)CCC1 298788418 WIYRXZAUIMOCKX-UHFFFAOYSA-N 299.399 3.890 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C/c2cn(C)cn2)cc1 800793235 ILFFEISWROFOBY-RMKNXTFCSA-N 286.400 3.817 30 20 CHED CC(C)(C#N)CCN1CC[C@H](c2ccc(F)cc2)C1 561674427 RQBYNZBTEZPQLQ-AWEZNQCLSA-N 260.356 3.555 30 20 CHED CC1(C)CC(=NN[C@@H]2CCSC2)CC(C)(C)C1 808002954 RGHYKHXITXRGMT-LLVKDONJSA-N 254.443 3.674 30 20 CHED C[C@@H](CCC#N)N1CCCN(c2ccccc2Cl)CC1 298494931 JTWGVGFCNCJYCQ-AWEZNQCLSA-N 291.826 3.544 30 20 CHED C=CCCc1noc(CCCc2ccc(F)cc2)n1 566479961 DVTCXCWUYGQOMJ-UHFFFAOYSA-N 260.312 3.503 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1[C@@H]1CC[C@@H](C#N)C1 292756840 IMEOSPGWIHBBKR-MUIFIZLQSA-N 254.377 3.557 30 20 CHED Cc1nc(N[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1C#N 291943257 MZSOILOFUAKTIL-FUHWJXTLSA-N 293.370 3.594 30 20 CHED COC(=O)c1cc(NCc2cccc(C#N)c2)c(C)cc1C 471526645 GKZBSCGWASJTFK-UHFFFAOYSA-N 294.354 3.574 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc(OC(F)F)c(F)c2)C1 293840206 XSCYEEXSAVRALX-PWSUYJOCSA-N 298.308 3.599 30 20 CHED C#Cc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1 809614936 PFMAVVFFCWALDS-UHFFFAOYSA-N 267.347 3.832 30 20 CHED C[C@@H](C#N)N(C)C(=O)CCCc1ccc2ccccc2c1 297732821 GKLPBWTWGJCLIA-AWEZNQCLSA-N 280.371 3.533 30 20 CHED C=CCCCCCCNC(=O)NC(C)(C)C1CCOCC1 807570665 VAZPANZRXWYPDD-UHFFFAOYSA-N 296.455 3.627 30 20 CHED CCc1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 294334839 KVNDGRLNKFRVAZ-QGZVFWFLSA-N 268.360 3.662 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1ccc(Cl)o1 814916692 CNGRLEUNNCJHKM-NSHDSACASA-N 254.761 3.825 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)c(O)c1 811694697 YPSVMTRPLACSDP-SOFGYWHQSA-N 281.286 3.608 30 20 CHED Cl/C=C/CON=Cc1c[nH]c2cc(Cl)ccc12 811668619 IHEBOZFXBFPVJJ-ZPWHHNIQSA-N 269.131 3.924 30 20 CHED CC[C@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 481172478 IQHNSSZXAMCDLF-DOTOQJQBSA-N 259.368 3.736 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@H]2CCCC2(C)C)cc1 815164694 ZPFNPPMVFFDWKY-GOEBONIOSA-N 286.419 3.893 30 20 CHED Cc1ccc(C)c(NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)c1 814753775 ZJOCSAPYMZYTTO-STQMWFEESA-N 274.364 3.592 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1cccc(F)c1C 817731229 XQRKUXCGSLKIIV-MRXNPFEDSA-N 280.339 3.520 30 20 CHED C#CCON=C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 812236435 OZNFAZLIZKBDRG-AWEZNQCLSA-N 257.377 3.798 30 20 CHED Cc1c[nH]nc1C=NNCc1ccc(-c2ccccc2)cc1 814863251 HCEIVWVTBMOHHV-UHFFFAOYSA-N 290.370 3.509 30 20 CHED CCOc1ccc(NN=C(COC)Cc2ccccc2)cc1 814984212 MFFAQDOGPVONBA-UHFFFAOYSA-N 298.386 3.742 30 20 CHED C#CCON=C1CCCOc2c1ccc(Cl)c2Cl 812233105 MZVOUUUGDHTKDD-UHFFFAOYSA-N 284.142 3.520 30 20 CHED C=CCCC(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 650523304 KKFOUVZRAHGQAV-GFCCVEGCSA-N 277.795 3.794 30 20 CHED C=CCC1(NCc2ccc(C)c(Cl)c2)CCOCC1 657633857 ZYZAACLPLVLXBC-UHFFFAOYSA-N 279.811 3.863 30 20 CHED C[C@H](C(=O)OCc1ccc(C#N)cc1Cl)C(C)(F)F 815493672 MRNWNNNFPHYVTE-MRVPVSSYSA-N 287.693 3.546 30 20 CHED C[C@@H](NN=Cc1ccc2oncc2c1)c1ccccc1 814815462 YPWKZMXATCJOTN-GFCCVEGCSA-N 265.316 3.513 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CCCSC2)C(C)C)c1 812973413 XRTNLECRGNLBEM-OAHLLOKOSA-N 287.428 3.553 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@H]1C(C)(C)C#N 814916773 LUEAOXLGBBDPGJ-GFCCVEGCSA-N 285.395 3.718 30 20 CHED N#Cc1ccsc1C(=O)NC[C@H](c1ccccc1)C1CC1 574349720 VWFXRTNVOPXEGO-OAHLLOKOSA-N 296.395 3.543 30 20 CHED O=[N+]([O-])c1ccccc1CC(=NOCCC1CC1)C1CC1 814246297 YWWIJULWJDHZFH-UHFFFAOYSA-N 288.347 3.720 30 20 CHED CC#CCCNC(=O)N(CCCC)[C@@H](C)c1ccccc1 483418189 FZWFYDUBTQDLMY-INIZCTEOSA-N 286.419 3.973 30 20 CHED CO[C@](C)(C=NNc1c(C)cc(C)cc1C)C1CC1 814860226 NVHVOQYNHDHXFU-MRXNPFEDSA-N 260.381 3.825 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2c(Cl)cccc21 579317783 HKXUTDKNKMHEHQ-XHSDSOJGSA-N 277.795 3.651 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1c(C2CC2)cnn1C 658213279 QJXSTASKDRGODA-ZBFHGGJFSA-N 273.424 3.522 30 20 CHED Cc1[nH]c(=N[C@@H]2CC(C)(C)c3ccccc32)ccc1C#N 488115038 LVRYWCBEEJSDGN-MRXNPFEDSA-N 277.371 3.518 30 20 CHED CC(C)(C)c1nnc(SCc2ccc(C#N)s2)o1 579373005 NMLAKLPBSWVKPG-UHFFFAOYSA-N 279.390 3.593 30 20 CHED CSC(C)(C)CC=NNc1nncc2ccccc12 814703403 KVRBZCYPJTUFID-UHFFFAOYSA-N 274.393 3.559 30 20 CHED CN(C)c1ccc(C=NNc2cc(F)cc(F)c2)cc1F 727651281 RFNMJPARASMPCC-UHFFFAOYSA-N 293.292 3.616 30 20 CHED Clc1cccc(NN=Cc2cccc3cc[nH]c23)n1 814939525 TUCQGNGAMOKOLF-UHFFFAOYSA-N 270.723 3.662 30 20 CHED Cc1cc(C)nc(NN=C2CC[C@H](c3ccccc3)C2)n1 814681545 QTNQBBIBEFJZSS-HNNXBMFYSA-N 280.375 3.829 30 20 CHED CC1(C)CCC(NC(=O)N2CCC(CCC#N)CC2)CC1 574515692 YYDVUPPHXJGTMH-UHFFFAOYSA-N 291.439 3.681 30 20 CHED C[C@H](C#N)Oc1ccc(C=NNc2ccc(F)cc2)cc1 727683271 DTCFNTHXEBGDEK-GFCCVEGCSA-N 283.306 3.563 30 20 CHED CCOc1ccc(NN=C[C@]2(C)CCCS2)cc1 814983508 AUADXEOPLRNTJZ-AWEZNQCLSA-N 264.394 3.769 30 20 CHED CN(C(=O)C=C1CCCCC1)c1ccc(C#N)cc1F 729653954 RXDGUFHZHIZJFT-UHFFFAOYSA-N 272.323 3.551 30 20 CHED C#CCCCCCC(=O)OCC[C@@H]1CC1(Cl)Cl 820504921 IWJPPSSBSJFONZ-LLVKDONJSA-N 277.191 3.697 30 20 CHED N#CCn1c(C(=O)N2CCCCCCC2)cc2ccccc21 729307162 KNHTUTWOGPNZTK-UHFFFAOYSA-N 295.386 3.571 30 20 CHED C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)CC1(F)F 491608204 VQLYNSMHULAWMF-SECBINFHSA-N 270.710 3.693 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)cc(OC)c1 728230679 DYKLDYXVKLMJJW-XQRVVYSFSA-N 298.338 3.614 30 20 CHED C=CCN(C(=O)/C=C/c1cccs1)c1ccccc1 820801959 QMWREGPHHDTCJX-ZHACJKMWSA-N 269.369 3.981 30 20 CHED CC1=CC(=NNc2nc(-c3ccccc3)no2)CCC1 727257532 RAHHYCKQEAIKJE-UHFFFAOYSA-N 268.320 3.635 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(F)c(SC)c1 490028068 FLGRNKMWZVXISO-UHFFFAOYSA-N 281.396 3.880 30 20 CHED C(=NNC1CCCC1)c1ccc(-c2ccccc2)o1 727651693 LWSRNHLIEZMZSH-UHFFFAOYSA-N 254.333 3.813 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H]1c1ccc(F)cc1 661121121 ATXAYGFFTXSUGL-HUUCEWRRSA-N 276.355 3.637 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1ccc(-c2ccccc2)nn1 903846987 RPCSGEIJDRJTGZ-AWEZNQCLSA-N 295.386 3.709 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc(F)cc2C)no1 903650061 KDFRYWFXYDFXNY-KBPBESRZSA-N 288.322 3.633 30 20 CHED C=CCSc1ccccc1C(=O)N=[S@](C)(=O)C(C)C 906193873 DHCLXXVZNQFNMI-LJQANCHMSA-N 297.445 3.611 30 20 CHED CCCCCCCCCc1nc([C@H]2C=CC=NC2=O)no1 903367388 ILBPJLNNZKTKNT-CYBMUJFWSA-N 289.379 3.614 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NCc1nncs1 901986305 WMMJSNDQCMIIOZ-JTQLQIEISA-N 290.417 3.544 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)CC1 734108697 NWYPHEKEJNYTFX-ZBTGYSDGSA-N 296.414 3.856 30 20 CHED CC(C)C[C@@H]1CCCCN1CCCC1(C#N)CCOCC1 499560990 HIWKGWYSEVUHLS-KRWDZBQOSA-N 292.467 3.988 30 20 CHED CC[C@H](NCc1ccc2c(c1)COC2)c1cccc(C#N)c1 902881605 KSUACEUAERKKFH-IBGZPJMESA-N 292.382 3.829 30 20 CHED CC1(C#N)CCC(NCCCc2cccs2)CC1 584212548 CGGHRGVXIOSUTL-UHFFFAOYSA-N 262.422 3.743 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)c2ccccc2F)c1 731328616 KKZJIWAMMXYUJU-AWEZNQCLSA-N 295.357 3.964 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc3c2ccn3C)C1 665950347 KWGWHBCNABRBSW-AWEZNQCLSA-N 297.402 3.998 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)c1ccccc1OC 731211795 BCUPFWACZBBWPW-UHFFFAOYSA-N 296.370 3.624 30 20 CHED C[C@@H](C#N)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 736675953 PGCNLMFOEZUXBO-GWCFXTLKSA-N 296.292 3.529 30 20 CHED N#Cc1ccc(SCc2cccc(C(=O)O)c2)c(F)c1 739132984 XVIMCLANJYKPEL-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C#CC[C@@H](N[C@H](C)CC(C)(C)CC(=O)O)c1ccccc1 902241995 VEVSSKZDRXLWTE-GDBMZVCRSA-N 287.403 3.620 30 20 CHED CC(C)(C)OCCCCSCc1cc(C#N)ccn1 901783663 MRWOOIXRNQQRAZ-UHFFFAOYSA-N 278.421 3.782 30 20 CHED C=C[C@H](CC(=O)NC1CC(C(F)(F)F)C1)c1ccccc1 580912986 FFXKNILNACSONG-LMWSTFAQSA-N 297.320 3.803 30 20 CHED C=CCCC[C@@H](N)c1nc(C(C)(C)Cc2ccccc2)no1 904698787 AQYCAXQFTLRHMC-OAHLLOKOSA-N 299.418 3.946 30 20 CHED CCn1cc(C=NNc2cccc3ccccc23)cn1 732528727 WGTSOJBUAWLTMI-UHFFFAOYSA-N 264.332 3.502 30 20 CHED C=C(C)CN=c1[nH]c(-c2ccc(OC)c(Cl)c2)cs1 589631816 NZPWDIFDWFTJHE-UHFFFAOYSA-N 294.807 3.882 30 20 CHED N#C[C@H]1CC[C@H](Sc2nc(O)cc(-c3ccccc3)n2)C1 901615796 IMLFNKRSJDWBIU-AAEUAGOBSA-N 297.383 3.634 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nnc(-c3ccc(F)cc3)o2)C1 581865479 IYNSIJGEVVDART-BXKDBHETSA-N 289.335 3.660 30 20 CHED C[C@@]1(CCNC(=O)CCCCCC#N)CC1(Cl)Cl 836908788 MGLNQXRYSZRIDJ-GFCCVEGCSA-N 291.222 3.551 30 20 CHED C=CCCCCCN(C)C(=O)/C=C\c1ccc(OC)cc1 739653771 FETOYKRZTXPZGA-KAMYIIQDSA-N 287.403 3.913 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(F)c(Cl)c2)C1 839050339 AUCJYQVIAZIYQJ-GXSJLCMTSA-N 281.714 3.718 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NC[C@]1(C)CCOC1 733340784 QDNFFHPLENRJNK-RDJZCZTQSA-N 298.471 3.709 30 20 CHED CC(=NNCc1ccccc1)c1cc(F)c(F)c(F)c1 730431529 RGHZRCIDCRCFRH-UHFFFAOYSA-N 278.277 3.618 30 20 CHED C=CC[C@H](NC(=O)c1ccc(Cl)s1)c1ccncc1 734361199 RFHULUJFYIWMMT-NSHDSACASA-N 292.791 3.844 30 20 CHED C=CCc1ccccc1OC(=O)[C@@H]1CC12CCSCC2 835050459 RMIYBNOEKXUMMF-AWEZNQCLSA-N 288.412 3.854 30 20 CHED CCCCCCCC(=O)N1CCS[C@@H](C)[C@H]1C 735643566 DEEONXKSOSRPQJ-OLZOCXBDSA-N 257.443 3.699 30 20 CHED C=CCc1ccccc1OCc1ccccc1[N+](=O)[O-] 597200879 JNSBBTQAPUMAKI-UHFFFAOYSA-N 269.300 3.902 30 20 CHED CC[C@](C)(NC(=O)NCC(C)(C)CC#N)c1ccccc1 838359385 YNQMNVISVVMFCU-KRWDZBQOSA-N 287.407 3.551 30 20 CHED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(F)F 590778703 NBRKNTCVOCJASZ-ZIAGYGMSSA-N 264.319 3.569 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCCc1ccc(C#N)cc1 595447607 IVAIANLYDIZGRY-CQSZACIVSA-N 284.325 3.667 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c(F)cccc1NC(C)C 911933701 HZNBVSCVSWJAKO-GFCCVEGCSA-N 294.370 3.566 30 20 CHED C=CCCC[C@H](C)NC(=O)CNc1ccccc1Cl 678894790 IOSJAQARUTVQHU-LBPRGKRZSA-N 280.799 3.613 30 20 CHED CC(C)c1ccc(C(=O)OCC2(CC#N)CC2)cc1 744276352 SFENLPSUDOQGOM-UHFFFAOYSA-N 257.333 3.661 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[C@H](C)CC 596727433 JDEBCATVGVYUOC-OAHLLOKOSA-N 299.418 3.692 30 20 CHED CCCCCCCOC(=O)Cc1ccccc1OC 918492837 AWBVOZXHRVYNQU-UHFFFAOYSA-N 264.365 3.751 30 20 CHED CCCOc1cccc(C=NNc2ccccc2C(=O)O)c1 917542496 FPTACHOEAJORQE-UHFFFAOYSA-N 298.342 3.620 30 20 CHED CCCCCCCC(=O)O[C@H](C)c1nc(CC)no1 744771029 ZPWYDYRVBGKCDO-LLVKDONJSA-N 268.357 3.597 30 20 CHED C[C@@H](NC(=O)/C=C\c1cccs1)c1cccc(C#N)c1 743779639 ZRHNLIAUWKAYGY-QDZRJHCZSA-N 282.368 3.510 30 20 CHED N#CCC[C@H](C#N)CN[C@H]1C[C@H](c2ccccc2Cl)C1 591374558 ZZVALJBKESKXSN-MGPQQGTHSA-N 287.794 3.619 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)CCCCC 913478841 AZARGGLSAAYCGO-AWEZNQCLSA-N 275.392 3.950 30 20 CHED CCCCS[C@H](C)C(=O)OCc1cc(C#N)ccc1F 748801546 ZQOMVXDBXYSQGH-LLVKDONJSA-N 295.379 3.662 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCC[C@@H]1CC1(Cl)Cl 844960452 IZMHAIVPTJEJPI-PWSUYJOCSA-N 278.223 3.679 30 20 CHED CSc1cc(Cl)ccc1NC(=O)NCC(C)(C)C#N 596967395 LCDZLGGSRGTZRQ-UHFFFAOYSA-N 297.811 3.733 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)CC1(C#N)CCCCC1 597304108 MXFIMGNMDHLSRZ-ZIAGYGMSSA-N 264.413 3.791 30 20 CHED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@H](C)C#N 597638544 SHKOCOFYSPNALQ-CABCVRRESA-N 272.392 3.700 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C#N)CCc1ccccc1 598444185 KANDJFFWBGOUCL-ASDXVTRWSA-N 296.414 3.548 30 20 CHED CCN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](C)C#N 598352449 KIOORIXVQGEOJU-CQSZACIVSA-N 272.392 3.503 30 20 CHED C[C@H](C#N)N(Cc1ccc(OCC(F)(F)F)cc1)C1CC1 595721119 QJVRFRNOENRHJQ-LLVKDONJSA-N 298.308 3.504 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cc(C)cc(C)n1 682449372 AIXSNWBECSDSFE-CQSZACIVSA-N 292.448 3.604 30 20 CHED C[C@@H](OC(=O)CSCC#N)c1cccc2ccccc12 920519934 HECNJLCZYOHNKA-GFCCVEGCSA-N 285.368 3.701 30 20 CHED CCCN(CCC)c1ccc(NC(=O)C2(C#N)CCC2)cc1 844891363 QVRHAGYWWKXKSN-UHFFFAOYSA-N 299.418 3.945 30 20 CHED CCCc1ccc(NC(=O)c2ccc(C#N)s2)cc1 749318365 OKIAEZPLHSTAEQ-UHFFFAOYSA-N 270.357 3.825 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1ccc(C(C)(C)O)cc1 924640945 VJTVFUGSSDACIW-CQSZACIVSA-N 294.398 3.636 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 42192480 WSLYEDKFBIRWIX-UHFFFAOYSA-N 270.719 3.658 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2O)cc1 757474510 CGCHQJYQXTWGHQ-DAXSKMNVSA-N 290.265 3.575 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1ccc(O)cc1)C2=O 920066075 KEIIXHYBNIDICH-ZROIWOOFSA-N 280.323 3.668 30 20 CHED CCCCCCCNC(=O)N(C)Cc1ccn(CC)c1 858112817 KUYYUQOIRSNFOC-UHFFFAOYSA-N 279.428 3.620 30 20 CHED Cc1oc2ccccc2c1C=NNCc1ccccc1 758096053 PJRXMHHWSYQAGR-UHFFFAOYSA-N 264.328 3.865 30 20 CHED C[C@@H](O)CN(CCCCC1(C#N)CCC1)c1ccccc1 929704261 BASBJPKDOWOYDR-MRXNPFEDSA-N 286.419 3.738 30 20 CHED C/C=C(\C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 751372071 BFRVOVRKJBDUFD-TXGYYHNKSA-N 283.158 3.640 30 20 CHED CCCCCCCCCNC(=O)NC[C@H]1CCCCO1 920344481 UGAIJXXRMKEEQP-OAHLLOKOSA-N 284.444 3.605 30 20 CHED CCN1C(=O)CCc2cc(N[C@H](C)CC(C)(C)C#N)ccc21 926172070 XRAULMQWRPKYPW-CYBMUJFWSA-N 299.418 3.726 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCN(C(C)(C)C)C1 855159838 IIJYCEYXCDJIAP-HNNXBMFYSA-N 282.472 3.584 30 20 CHED C(=NO[C@H]1CCCCO1)c1cccc(-c2ccccn2)c1 755819081 HEUCFKOVPAKQFJ-KRWDZBQOSA-N 282.343 3.626 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3ccc(F)c(F)c3)ccc21 751520559 BLDHDHRRDOJNSK-XVNBXDOJSA-N 299.320 3.853 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C(F)F)nc1 853327772 CJAHLPMQAWWKSG-MJVIPROJSA-N 279.334 3.521 30 20 CHED CCCCCCCCNC(=O)Cc1n[nH]c2ccccc12 755216472 RXARWWXGLFICQS-UHFFFAOYSA-N 287.407 3.582 30 20 CHED C=C(C)COC(=O)c1cc(C2CC2)nc2ccc(OC)cc12 751820894 APQLEJRBAMIDLF-UHFFFAOYSA-N 297.354 3.854 30 20 CHED Cc1ccnc(NN=C(c2ccccc2C)C2CC2)c1 755906621 OJTAOJYEUBNFKL-UHFFFAOYSA-N 265.360 3.925 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2cc(C)c(O)c(C)c2)c1 757468583 RCKGAJDWHOZJML-XQRVVYSFSA-N 298.338 3.619 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccccc1Cl 44766658 RBXLWZUPMNNAQJ-NSHDSACASA-N 278.783 3.847 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1c1cccn1C 933979393 WRLICEIGTVAOJA-GOEBONIOSA-N 274.408 3.681 30 20 CHED CC#CCCCC(=O)OCc1ccc(F)cc1Cl 767672750 PIXMYCYZFFANKB-UHFFFAOYSA-N 268.715 3.716 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(OC)c2ccccc2c1 933775980 WMVXQTJJCMTMAD-ZDUSSCGKSA-N 297.358 3.662 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCCCC1)c1cccc(C#N)c1 764612176 HCIMQUPGEOKTHI-CYBMUJFWSA-N 282.343 3.637 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ncccn1)CCC2 760249182 FCVACAPAGOQROM-UHFFFAOYSA-N 280.375 3.753 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(Cl)c1OC 930560054 YTLAWHLVISGKPO-SNVBAGLBSA-N 267.756 3.889 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(F)c1)CCO2 763102279 VPSGTVCKDVVSME-UKTHLTGXSA-N 298.313 3.883 30 20 CHED C=CCC1(C(=O)OCc2cccc3c2CCOC3)CCC1 869486345 WZRLSQNOIAFCHI-UHFFFAOYSA-N 286.371 3.549 30 20 CHED CC(C)[C@H]1CCCC1=NNc1cc(C#N)cc(Cl)n1 768381463 HEXLZMLWSHVJJX-LLVKDONJSA-N 276.771 3.831 30 20 CHED C#CCCCCCc1nc(-c2cccc(COC)c2)no1 761699552 DQFFTJNMPCTMJT-UHFFFAOYSA-N 284.359 3.619 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H](C)CCC(C)(C)C 767164370 FOHAPJUGFSIFQJ-GFCCVEGCSA-N 291.357 3.863 30 20 CHED CC(=NNc1ncnc2ccsc12)c1ccsc1 764835650 OSRWTKABMWAHOP-UHFFFAOYSA-N 274.374 3.589 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(C(C)(C)O)cc1 767359529 IJZUKAJXVKZSIC-UHFFFAOYSA-N 293.370 3.622 30 20 CHED CC1(C)CCC(C=NNc2ncccc2[N+](=O)[O-])CC1 764695742 AGOFYUKVHZSTNU-UHFFFAOYSA-N 276.340 3.604 30 20 CHED CC(=NNc1ccc(F)cc1)c1nc2c(s1)CCCC2 761254816 SLVYLWJJCBZXHG-UHFFFAOYSA-N 289.379 3.997 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccc(C)cc1)C(C)C 778703387 DEDAIJSVWJSVJO-HNNXBMFYSA-N 259.393 3.597 30 20 CHED C=C(C)CCN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 775594186 PFZUUDVMRPOZQC-UHFFFAOYSA-N 296.455 3.532 30 20 CHED Cc1ccc(/C=C2/CC(=O)Nc3ccccc3C2=O)cc1F 774146537 VBMBIJJQWOPZBW-JYRVWZFOSA-N 295.313 3.743 30 20 CHED C(=NOC1CCCCC1)c1ccc2ncccc2c1 777460873 ZBWGABZCVXVWHI-UHFFFAOYSA-N 254.333 3.918 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1ccc(C#N)cc1Cl 779986111 KAXGQWMMKSILRE-MDZDMXLPSA-N 262.740 3.897 30 20 CHED Oc1ccc2ccccc2c1C=NOC1CCCC1 774602143 FKXFHFWWQCNNIP-UHFFFAOYSA-N 255.317 3.839 30 20 CHED N#C[C@@]1(C(=O)OC2CCC(F)(F)CC2)CC12CCCC2 875848853 PDQAOOKCVTYIEY-CQSZACIVSA-N 283.318 3.582 30 20 CHED Cc1cc(C)c(C=NNc2ccc3[nH]ncc3c2)c(C)c1 779818750 MTRVSVSGPZHDAG-UHFFFAOYSA-N 278.359 3.934 30 20 CHED C=C(CC)CNC1(C(=O)OC(C)(C)C)CCCCC1 773494224 IITUFWLHVOEURA-UHFFFAOYSA-N 267.413 3.587 30 20 CHED C=CCn1cnnc1SCc1cc(F)ccc1Cl 1116696480 XTTMJBBVMYXTMZ-UHFFFAOYSA-N 283.759 3.549 30 20 CHED C=C(C)COC(=O)c1csc(Br)c1C 772455917 DARZHBZEOGHNRK-UHFFFAOYSA-N 275.167 3.552 30 20 CHED C#CCCCCCC(=O)N[C@](C)(CC)c1nc(C)cs1 779962050 ZRUPMLZMZWMEOL-MRXNPFEDSA-N 292.448 3.777 30 20 CHED CC(C)(C#N)CCOC(=O)C1(c2cccc(F)c2)CCC1 776363650 OROZLXGXJBGGRH-UHFFFAOYSA-N 289.350 3.730 30 20 CHED CC(=NNCCOC(C)C)c1ccc2ccccc2c1 778547424 VMGPGIHVOZVFGT-UHFFFAOYSA-N 270.376 3.578 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](C)c1cccc(O)c1 879104649 OQLBLHJPYNWBHL-GFCCVEGCSA-N 261.365 3.514 30 20 CHED C[C@@H]1CCC[C@H](COC(=O)c2c(F)cc(C#N)cc2F)C1 770995359 ATBOUNFKNURSSZ-MNOVXSKESA-N 293.313 3.820 30 20 CHED C[C@H](C(=O)OCC1(C#N)CC1)c1ccccc1C(F)(F)F 775860549 UQBTXACHNSMRIM-JTQLQIEISA-N 297.276 3.656 30 20 CHED CCOCCON=Cc1cnc(-c2ccc(C)cc2)s1 774417217 JANCAEXFTPZUDZ-UHFFFAOYSA-N 290.388 3.506 30 20 CHED C[C@H]1CC(=NOCc2ccc(C(F)(F)F)cc2)CCO1 773208745 ODRGLVFDAMSMFN-JTQLQIEISA-N 287.281 3.777 30 20 CHED N#Cc1ccccc1CSCC(=O)c1ccccc1 58240218 KOQPMULHGXHRJO-UHFFFAOYSA-N 267.353 3.674 30 20 CHED CC(=NNCCOC(C)C)c1cc(Cl)ccc1Cl 778554814 YEABPFYXKKQJBB-UHFFFAOYSA-N 289.206 3.732 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(C#N)c(F)c1 776770261 QVSGQSYDBSMHIT-UHFFFAOYSA-N 289.260 3.812 30 20 CHED C=CC[C@H](C(=O)OCC(=O)C(C)(C)C)c1ccccc1 778431001 YVSIUDCJZPLBHL-AWEZNQCLSA-N 274.360 3.505 30 20 CHED N#CCc1ccc(COC(=O)C[C@@H]2C=CCCC2)cc1 777770282 FLAIINCWWBEPNM-OAHLLOKOSA-N 269.344 3.542 30 20 CHED C=C(C)CCC(=O)Nc1cc(CN2CCCC2)ccc1C 1121037208 FMYODZKRMVUGKE-UHFFFAOYSA-N 286.419 3.886 30 20 CHED N#CC1(COC(=O)c2ccc(CCC(F)(F)F)cc2)CC1 775873499 DIDRDTZGEWMOOZ-UHFFFAOYSA-N 297.276 3.642 30 20 CHED Cc1cc(C)cc(COC(=O)/C=C\c2ccccc2C#N)c1 775081196 FHMDSRORDUGYMV-FPLPWBNLSA-N 291.350 3.932 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@H]1[C@H](C)CCC 1121699526 YXYPJWLIUKQWEV-NEPJUHHUSA-N 298.381 3.807 30 20 CHED C[C@H]1CCC(=NNCCc2ccccn2)c2ccccc21 789113518 VFVYBYHVUGTELQ-AWEZNQCLSA-N 279.387 3.515 30 20 CHED COc1ccc(NN=C(C)CCc2cccc(C)c2)nc1 780275669 CPJATCKNATVREX-UHFFFAOYSA-N 283.375 3.819 30 20 CHED C=C(Br)CN[C@H]1CC[C@@](C)(c2ccccc2)C1 783238853 GQDPKJXPFXUNIC-LSDHHAIUSA-N 294.236 3.995 30 20 CHED CCSc1ccccc1[C@@H](C)NCc1ccc(C#N)cn1 783294180 MWBDTBATPNQUOR-CYBMUJFWSA-N 297.427 3.916 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)CCc2sccc21 899352238 CLVCNDTTWNVFOL-WQLSENKSSA-N 284.384 3.882 30 20 CHED C=C1CN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 898695782 KDWQZZBOQVBEDB-UHFFFAOYSA-N 284.186 3.715 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1CCNc2ccccc21 1122374520 RZZZRTAEDBAQLC-JKSUJKDBSA-N 298.430 3.933 30 20 CHED C#C[C@@H](C)NC(=O)Nc1c(CC)ccc(Cl)c1CC 789833893 OFCDLDHVENNFBF-SNVBAGLBSA-N 278.783 3.608 30 20 CHED CCCC[C@@H]1CCCC1=NN[C@H]1CCOC(C)(C)C1 780247661 SZOJUTMKYILDCF-KGLIPLIRSA-N 266.429 3.880 30 20 CHED C=C1CCN(C(=O)N[C@H](C)c2ccc(F)c(C)c2)CC1 893511848 RIMOIJCBMJSUGB-CYBMUJFWSA-N 276.355 3.557 30 20 CHED C[C@@H](CC=NNc1ncncc1Cl)c1ccccc1 780281017 XPFKTCDBWMTXTF-NSHDSACASA-N 274.755 3.722 30 20 CHED N#CCOc1ccc(COc2ccc(C#N)c(Cl)c2)cc1 783986654 QWBXZOQMZBUASC-UHFFFAOYSA-N 298.729 3.693 30 20 CHED Clc1ccsc1C=NNc1ccc2[nH]ncc2c1 782267331 CKOWDNBLQGGOML-UHFFFAOYSA-N 276.752 3.724 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)CNc1ccc(C#N)cc1 783095864 WSSJJAKLGCSCGG-AWEZNQCLSA-N 294.354 3.583 30 20 CHED CCn1cc(C(=O)/C=C\c2cc(C)c3ncccc3c2)cn1 783707753 KSLGXUJQDMMXJK-SREVYHEPSA-N 291.354 3.656 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2)cnc1Cl 83429338 CDBZMJGVWJPULD-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cn1ccnc1NN=Cc1cccc(Oc2ccccc2)c1 790299391 DKDFWWDDLKGUOW-UHFFFAOYSA-N 292.342 3.658 30 20 CHED CCc1onc(C)c1/C=C1/Cc2c(F)ccc(F)c2C1=O 899363982 JCRJEUJUFKDUBQ-TWGQIWQCSA-N 289.281 3.646 30 20 CHED CC(Cc1cccs1)=NNCc1ccccc1N(C)C 794949899 VFFMDGMDHNCXNT-UHFFFAOYSA-N 287.432 3.522 30 20 CHED C=CCC[C@H](C(=O)O[C@H](C)C(=O)C1CC1)c1ccccc1 798653292 IEWVWJWQEJHBDE-CJNGLKHVSA-N 286.371 3.647 30 20 CHED Cn1cc(/C=C2\CCc3cc(F)ccc3C2=O)c(C2CC2)n1 899360577 MDNXRPYZBBEHFD-MDWZMJQESA-N 296.345 3.649 30 20 CHED C=CCC[C@H](CC)NC[C@@H](O)c1ccc(CC)cc1 797024550 BILNUQTYXIQBEV-DLBZAZTESA-N 261.409 3.617 30 20 CHED C#CCC(C)(C)C(=O)Nc1cnn(CCCC)c1C(C)C 791643517 KXSVGMUMQRTVST-UHFFFAOYSA-N 289.423 3.795 30 20 CHED C#CCN(C)C(=O)C1(c2ccc(C(C)C)cc2)CCCC1 790968127 PIIHBVWHKJYUHD-UHFFFAOYSA-N 283.415 3.713 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)[C@H]1CCC(F)(F)C1 796377399 UYJNBUOWKFDJSX-LBPRGKRZSA-N 298.716 3.670 30 20 CHED Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)sc1C 277859622 JWGVEBGDPHWKQE-ZDUSSCGKSA-N 276.405 3.519 30 20 CHED N#C[C@H](Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 57735022 KRWYWVJGEDWEIB-ZDUSSCGKSA-N 270.263 3.584 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1CCOC[C@@H]1C 797079602 PUBOTHQFPPDBQK-HRCADAONSA-N 253.430 3.774 30 20 CHED CCCCCCCC(=O)N1CCO[C@@H](C(C)(C)C)C1 791081465 GYEFOKQJMCKLIL-CQSZACIVSA-N 269.429 3.620 30 20 CHED C=CCc1cc(OC)cc(CN2CCC(C)=C(C)C2)c1O 794883163 YUPWLELSPKVDNN-UHFFFAOYSA-N 287.403 3.671 30 20 CHED COc1cc(/C=C/C(=O)c2sccc2C)ccc1C#N 799496904 ACLDWDSDLHEGFT-GQCTYLIASA-N 283.352 3.833 30 20 CHED CC(=O)c1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1C 799356398 CYGPMJICLFBZGM-UHFFFAOYSA-N 292.338 3.630 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)C(C)(C)c1ccccc1 795604842 LKYVYDCUFYKLHL-SFHVURJKSA-N 288.387 3.679 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc(C(F)(F)F)cc1 794553767 YUKAGXMHPYVQTR-UHFFFAOYSA-N 298.230 3.971 30 20 CHED C[C@@]1(C#N)CCCN(CCc2ccc(Cl)cc2)C1 590715570 PRARLLPYTDMNSL-HNNXBMFYSA-N 262.784 3.508 30 20 CHED CC[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(C)c(F)c1 1168489282 VYKXBQAKPLBLKC-DUVNUKRYSA-N 260.356 3.867 30 20 CHED C=CCCOCC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 1319543622 UZOVVXZMPVMWFG-MJGOQNOKSA-N 299.414 3.507 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ccc(C(C)(C)C)nn1 1318580018 JCXYFYLWHKKNOS-UHFFFAOYSA-N 294.402 3.845 30 20 CHED CC1(C)CCC(C)(C)N(CCOc2ccccc2C#N)C1 1174725603 PEASAGQKVUMRSK-UHFFFAOYSA-N 286.419 3.838 30 20 CHED N#CCc1cccc(N[C@H]2CC[C@@H](Cc3ccccc3)C2)n1 1320550249 BEPPRACZVNSQQE-WMZOPIPTSA-N 291.398 3.971 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1csc(C#N)c1 1326419026 XSTBMMVCDLCYSB-NSHDSACASA-N 264.394 3.564 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1cc(Cl)ccc1OC 1321711558 CQGGDJQFNBPHFO-INIZCTEOSA-N 295.810 3.610 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C/c2cc(C#N)ccn2)cc1 1321293925 YLDRVLHLRVXWOG-VOTSOKGWSA-N 286.338 3.822 30 20 CHED C=CCNC(=O)c1ccc2c(c1)oc1ccccc12 1321859587 AQBHTTYAXDTVQT-UHFFFAOYSA-N 251.285 3.502 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@](C)(C#N)C1 1323783739 RSEJUKSYYCKNKD-YOEHRIQHSA-N 276.424 3.745 30 20 CHED Cc1ccc([C@H](C)CNCc2ccc(C#N)c(F)c2)cc1 1182369456 MZVHAQWXYHAZGK-CQSZACIVSA-N 282.362 3.899 30 20 CHED CCCC[C@](C)(F)C(=O)OCCCC(C)(C)C#N 1333244460 GRCJZCDYPSOWLV-AWEZNQCLSA-N 257.349 3.778 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC[C@H](C)C2)c1 1678407813 BJZMUUXYLHGQGM-SMDDNHRTSA-N 271.364 3.567 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1ncccn1)c1ccc(F)c(F)c1 1262262422 NLIPJSYITKSBMM-NHYWBVRUSA-N 289.329 3.723 30 20 CHED C=C(CC)C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 1345987196 UFWXGEWIRNRXNK-DZGCQCFKSA-N 275.417 3.658 30 20 CHED Cc1ccc(F)c(NC(=O)[C@H](CC#N)c2ccccc2)c1 1347972686 IXGCBSZLWFGCKM-CQSZACIVSA-N 282.318 3.770 30 20 CHED N#Cc1cccc(C#N)c1NCCCc1cccs1 1343784411 ULPKXULHFARCJN-UHFFFAOYSA-N 267.357 3.536 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1cccc(OCC#N)c1 1357281581 ZFWBLTDEXBJPTK-CQSZACIVSA-N 294.354 3.640 30 20 CHED CCc1ccccc1C(=O)Nc1ccc(C#N)cc1C(C)=O 1272901395 AKLVWCXSPBOJAV-UHFFFAOYSA-N 292.338 3.576 30 20 CHED CCC[C@@H]1CCCC1=NNc1ccc(C(=O)O)c(F)c1 1776075286 YKEOXBDJHAGYAL-SNVBAGLBSA-N 278.327 3.892 30 20 CHED Cc1ccc(CSc2cccnc2C#N)cc1C 1459077781 VAKGWSACNGBXED-UHFFFAOYSA-N 254.358 3.862 30 20 CHED COc1ccc(NCc2cccc(C#N)c2F)c(C)c1 223730430 ZAPXPUPDWKWUNB-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCOc1ccc(NC(=O)c2cc(C#N)ccc2C)cc1 1523703192 LJJRLQZDQHRNBJ-UHFFFAOYSA-N 280.327 3.518 30 20 CHED N#C[C@H](C(=O)[C@@H](c1ccccc1)C1CC1)c1cccc(F)n1 1524711910 MCLBCDFYWCNUHO-YOEHRIQHSA-N 294.329 3.591 30 20 CHED Cc1cc2c(NC(=O)[C@H](C)C3CCCC3)n[nH]c2cc1C#N 1469794926 CWOVWMKDROZDHN-LLVKDONJSA-N 296.374 3.508 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 1461935514 OBAMILMUOZOSIQ-PBHICJAKSA-N 286.419 3.967 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 1533139354 KIEASBUBFZPBHI-CABCVRRESA-N 298.386 3.916 30 20 CHED CCc1nnc(N[C@@H]2C[C@H]2C2CCCCC2)c(C#N)c1CC 1472712000 VAIKWMDAFYGSOE-WMLDXEAASA-N 298.434 3.854 30 20 CHED CC(=O)c1ccc(N(C)Cc2cccc(C#N)c2F)cc1 1473748831 AOPOROGKAYKOQB-UHFFFAOYSA-N 282.318 3.536 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 1625934303 MBRGMVMPZMGXOC-CYBMUJFWSA-N 295.342 3.671 30 20 CHED CCCCCCCCCC(=O)N(C)C1CCC(N)CC1 118251739 ZFFXXJNNUVWHCG-UHFFFAOYSA-N 282.472 3.855 30 20 CHED CC(C)C1CCC(CNc2ncccc2C#N)CC1 1639619547 VDNHZIPEEMAHHF-UHFFFAOYSA-N 257.381 3.828 30 20 CHED CC(C)[C@H](C)N(C)c1nccc(Oc2cccc(C#N)c2)n1 1650688305 RYSKMYQUZGPSNM-ZDUSSCGKSA-N 296.374 3.621 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2C[C@@H]3CCC[C@@H]32)cc1C#N 1659414569 KINGPSCFTHHQKM-PJODQICGSA-N 299.374 3.727 30 20 CHED COc1cc(CN2CCCc3cc(C#N)ccc32)ccc1C 1658800776 CIJVDAHFMWIKTL-UHFFFAOYSA-N 292.382 3.828 30 20 CHED CC(C)Sc1ccc(C(=O)Nc2cccc(C#N)n2)cc1 1584682142 XFUBQKXEWQEAAC-UHFFFAOYSA-N 297.383 3.706 30 20 CHED C=CC(C)(C)CCNCc1cc(C(=O)O)c(C(C)C)[nH]1 1588676797 BPVJWILIDLWDDU-UHFFFAOYSA-N 278.396 3.528 30 20 CHED CC1(C#N)CN(Cc2ccc(Oc3ccccc3)c(F)c2)C1 1653466664 GBACTODKDOBOIP-UHFFFAOYSA-N 296.345 3.963 30 20 CHED CC[C@H](NC(=O)Nc1scc(C)c1C#N)[C@@H]1CC1(C)C 1669740131 PUFLPLBNLADBMC-RYUDHWBXSA-N 291.420 3.874 30 20 CHED CC(/C=C\C(=O)c1cncc(C(=O)O)c1)=C\c1ccccc1 1776398820 KOWBHKBHTGGDIE-XTYDYKDCSA-N 293.322 3.622 30 20 CHED COc1cc(C(=O)O)ccc1/C=C\C(=O)C1CCCCC1 1777268006 PZMQHKGFPKNNDD-KTKRTIGZSA-N 288.343 3.556 30 20 CHED C#CCCCCNC(=O)N[C@@H](CC)c1ccc(F)cc1F 150905856 KZSFZCMHWSCXLV-HNNXBMFYSA-N 294.345 3.519 30 20 CHED N#Cc1cccc(Cl)c1N[C@@H]1CCO[C@@H](C2CC2)C1 160349554 SLPDRGYIQLFKCY-TZMCWYRMSA-N 276.767 3.581 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1NCc1ccco1 160641815 SNVDHWONTDFSRB-CYBMUJFWSA-N 284.359 3.586 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2cccc(O)c2)c1C 160703154 VSHKISKIYOCWFW-CMDGGOBGSA-N 284.359 3.512 30 20 CHED C=CCC(CC=C)C(=O)Oc1cccc([N+](=O)[O-])c1C 151238454 ITLHIEJFWFQZGT-UHFFFAOYSA-N 275.304 3.577 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1c(F)cc(C#N)cc1F 155118826 DAVMSGFJYJQWBV-UHFFFAOYSA-N 294.345 3.781 30 20 CHED Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1 155140256 QTXVOKXOPVPDKU-RYUDHWBXSA-N 283.375 3.617 30 20 CHED C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CCC#N 155250439 IZFXWYGAKZUGIS-LLVKDONJSA-N 289.766 3.901 30 20 CHED C=CCNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 154567107 CNUNUESYVMMVRH-UHFFFAOYSA-N 292.338 3.575 30 20 CHED COCCNc1ccc(-c2cccc(C)c2)cc1C#N 536952684 DOOADTJWGQMNLC-UHFFFAOYSA-N 266.344 3.592 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(C#N)c1 248270687 ZIDYDDQSOXNYCQ-OAHLLOKOSA-N 292.382 3.999 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@H]2C=CCCC2)n1 1320280393 SZRWGSLCCNOPSN-ZDUSSCGKSA-N 255.365 3.771 30 20 CHED N#CCCCOc1cccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c1 250045227 BWYDYLIDWXIDRL-GRDNDAEWSA-N 270.376 3.970 30 20 CHED C[C@@H]1[C@@H](Nc2nc3c(cc2C#N)CCC3)CCC[C@H]1C 252414543 INWVXTIRTVIRQY-XUJVJEKNSA-N 269.392 3.679 30 20 CHED N#Cc1ccc(OCc2cc(C#N)ccc2F)c(Cl)c1 29893710 ZCHPYSVISCVBLK-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccccc1 37748600 IQPARRAKFDFMOM-QGZVFWFLSA-N 250.345 3.799 30 20 CHED N#Cc1ccc(COc2ccc([N+](=O)[O-])cc2)c(Cl)c1 162984661 ICOODZTTWUJUBK-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CCCCCOc1ccc(CNCC(C)(C)C#N)cc1 168940975 IVAVVJDFSOPORI-UHFFFAOYSA-N 274.408 3.895 30 20 CHED C[C@H](NCc1ccc(F)cc1F)c1cccc(C#N)c1 51016957 KLBYXBQDTPYHTE-NSHDSACASA-N 272.298 3.687 30 20 CHED C[C@H]1CSC[C@@H]1Nc1cccc(OCCCC#N)c1 294874928 QHMVFRZKPVVPAJ-WFASDCNBSA-N 276.405 3.533 30 20 CHED C=CCCN[C@H](C)c1cccc(OC(F)(F)F)c1 181899701 OMOVQCMEGJSZHP-SNVBAGLBSA-N 259.271 3.812 30 20 CHED N#Cc1ccc(Sc2cc(Cl)ccc2Cl)nn1 301913215 HLKUMTILXYENEG-UHFFFAOYSA-N 282.155 3.806 30 20 CHED N#Cc1cccc(OCc2c(Cl)cccc2[N+](=O)[O-])c1 70163191 NIKQEWULNKQURU-UHFFFAOYSA-N 288.690 3.699 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CCC[C@@H](C)C2)c1 308133949 MMKXQEUDHIPMKM-RISCZKNCSA-N 256.349 3.632 30 20 CHED C[C@H](Nc1nc(C(C)(C)C)ns1)c1ccc(C#N)cc1 87640736 BJDCGOBZOLZSLI-JTQLQIEISA-N 286.404 3.880 30 20 CHED C=CC[C@@H](CC)Nc1cc(Br)ccn1 336653528 LOAOVYUOUQEJNP-SNVBAGLBSA-N 255.159 3.611 30 20 CHED CC(C)[C@H]1CCC[C@H](NCc2cc(C#N)n(C)c2)CC1 480266567 PKWUKDLTBKGVRI-HOTGVXAUSA-N 273.424 3.591 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc2c(c1)OCCCO2 393773237 CERDMWVOUUADMZ-DZGCQCFKSA-N 275.392 3.853 30 20 CHED CC(C)(C)c1ncc(C=NOCc2ccccc2)s1 920374963 DMAMHKAYIGBBMV-UHFFFAOYSA-N 274.389 3.991 30 20 CHED CSc1ccccc1[C@H](C)NC(=O)C1(C#N)CCCC1 282156062 IRDCDJYJLUJBEV-LBPRGKRZSA-N 288.416 3.670 30 20 CHED C#Cc1cccc(NCc2ccc(OC)c(OCC)c2)c1 20085189 BRWJVJXODHGJHV-UHFFFAOYSA-N 281.355 3.687 30 20 CHED C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(C#N)cc1 26117093 DLGZZFGRROHRCN-ZDUSSCGKSA-N 290.366 3.538 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)cc1 35163406 WDBDMVNXCTVCNB-DLBZAZTESA-N 254.377 3.570 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1ccc(O)cc1 38143124 XUKBABOKBOKKPA-BAQGIRSFSA-N 260.239 3.567 30 20 CHED CC(C)N(CCC#N)Cc1sccc1Br 43675540 FUVNZMOFFFDPSD-UHFFFAOYSA-N 287.226 3.635 30 20 CHED C#Cc1cccc(NC(=O)N(C)C2CCCCCC2)c1 43982695 BXCUWCDURNWTJJ-UHFFFAOYSA-N 270.376 3.854 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCCCC1 45403888 KPBXKFRFMYUHSD-UHFFFAOYSA-N 284.403 3.877 30 20 CHED Cc1ccc(N(C)Cc2cc(C#N)ccc2F)cc1 50003994 KYMADEUNCNXTKE-UHFFFAOYSA-N 254.308 3.642 30 20 CHED Cc1cccc(C(=O)Nc2ccc(F)c(C#N)c2)c1C 51637517 YBQXKVVNIXPFPV-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC[C@H](CC#N)N[C@@H](C)c1ccc(F)c(Cl)c1 54183295 HNSHTYPUUGQRLT-GXSJLCMTSA-N 254.736 3.822 30 20 CHED CCCCCCCCOCC(=O)Nc1cccc(C#N)c1 59087824 SQTCPABPAFYZDH-UHFFFAOYSA-N 288.391 3.874 30 20 CHED C=CCN(Cc1cc(C)on1)Cc1ccc(Cl)s1 61758872 JFUMBUFAUPMUAI-UHFFFAOYSA-N 282.796 3.886 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CCCCC1 64438685 UDNJLSZECBCYQX-UHFFFAOYSA-N 271.751 3.750 30 20 CHED C=C(C)CN(CC)C(=O)CN(C)c1cccc2ccccc12 65611985 JUTAYIWKTLAXQV-UHFFFAOYSA-N 296.414 3.701 30 20 CHED CC(C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66953359 NRNJYDLSIJOSRG-UHFFFAOYSA-N 295.342 3.880 30 20 CHED N#Cc1cccnc1NCCc1ccc(C(F)(F)F)cc1 67949126 BUYHQAPIKJDLJK-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(OCC#N)cc2)[C@H](C)C1 70112073 SALNXQLCQGEFGQ-CPUCHLNUSA-N 272.392 3.503 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)CCCSCC#N 74991172 UQNUOFCNBGJPJR-CYBMUJFWSA-N 296.867 3.850 30 20 CHED CC1CCC(N(C)C(=O)Nc2ccc(CC#N)cc2)CC1 76083903 XYVSOJOQLMMYIZ-UHFFFAOYSA-N 285.391 3.795 30 20 CHED N#CCc1ccc(NC(=O)CCc2cccc(Cl)c2)cc1 78238000 FVKZCSDKSYWWKA-UHFFFAOYSA-N 298.773 3.977 30 20 CHED N#CCCSc1ccccc1NC(=O)/C=C/c1ccco1 78568701 GYIOYTKZNXQFFI-CMDGGOBGSA-N 298.367 3.937 30 20 CHED N#Cc1ccc(SCc2cccc(Cl)c2)nc1 79134345 IPABTTZRVQTTMY-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC[C@H](C#N)Oc1cccc(CNc2ncccc2F)c1 84486771 FTXCRXNTPJTTRT-CYBMUJFWSA-N 285.322 3.514 30 20 CHED C[C@@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)[C@@H]1C 85097794 SHKHMDVTMDBLSK-XJKCOSOUSA-N 258.365 3.826 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc2[nH]ccc12 93100948 BZSNKEHIAMIBGB-UHFFFAOYSA-N 269.392 3.930 30 20 CHED Cc1ccc(C[C@@H](C)NCc2cc(C#N)cs2)s1 93492675 QTBQBUSEWCTBMY-SNVBAGLBSA-N 276.430 3.711 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)cc2F)cc1C 103144869 XGXHMTVIGUHMTG-UHFFFAOYSA-N 298.361 3.646 30 20 CHED C[C@H](CSc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 111944497 DKJOFNCJWSLWCH-HIFRSBDPSA-N 296.395 3.686 30 20 CHED COCCCCCSCc1ccc(F)cc1C#N 116910367 JXYNLYDARCZUDO-UHFFFAOYSA-N 267.369 3.747 30 20 CHED C[C@@H](SCCc1ccccn1)c1ccc(C#N)cc1 118445521 IBFZKEHIVXFCIW-CYBMUJFWSA-N 268.385 3.990 30 20 CHED CCCCN(Cc1ccc(F)c(C#N)c1)CC(F)(F)F 119384082 LJYFCVPFJSEELX-UHFFFAOYSA-N 288.288 3.862 30 20 CHED C=CCN(Cc1cccs1)Cc1cnc2cc(C)ccn12 119934749 UJEZVYNTRNZLKG-UHFFFAOYSA-N 297.427 3.892 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1ccc(Cl)cc1 123304122 SCCNOLRYFFDCJX-QGZVFWFLSA-N 269.797 3.529 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2ccc3c(c2)COC3)cc1 125431042 KSTRUKLAJBFHLE-ZDUSSCGKSA-N 294.354 3.620 30 20 CHED C=CCn1c(S[C@H](C#N)CC)nnc1-c1ccccc1 126957843 KLVUSZYJCKBRMC-ZDUSSCGKSA-N 284.388 3.525 30 20 CHED COc1cc(C)cc(CNc2ccc(C#N)cc2F)c1 128041722 WBVODOCUUPABPF-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 134389072 JMCIBFAKWOPDSU-CZUORRHYSA-N 285.391 3.991 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ncc(-c2ccccc2)o1 134937378 QWVXGTKTGBSZHE-QGZVFWFLSA-N 284.359 3.560 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1cccs1 135685380 UNVXBTBDPNJLEC-LBPRGKRZSA-N 262.403 3.922 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 157371839 ZGIJAHFIGVTLLT-LBPRGKRZSA-N 289.404 3.778 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1sccc1C 161311359 PEKXWWSYSKGWRS-QWHCGFSZSA-N 263.406 3.585 30 20 CHED CCO[C@@H](CCN[C@H](C)c1ccc(C#N)cc1)C(C)C 173957419 GPRBPMVMFGMJBK-PBHICJAKSA-N 274.408 3.660 30 20 CHED CCc1ccc([C@H]2COCCN2CCCC(C)(C)C#N)o1 174868457 AQMXNSQPCKPBQM-OAHLLOKOSA-N 290.407 3.545 30 20 CHED N#CCCCOc1cccc(NC(=O)CCC2CCC2)c1 175643654 ASESGKIZPHRMJM-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CN(C(=O)c1cccs1)c1cc(Cl)ccc1C#N 176430087 IVSBWWZWILIXTQ-UHFFFAOYSA-N 276.748 3.550 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)Nc1cc(C#N)ccc1O 176820608 OKQOWGFSGVXNKH-CYBMUJFWSA-N 294.354 3.705 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)c2cc(C#N)cs2)c(C)c1 177052941 RIGKMJMGEAUJFJ-ZDUSSCGKSA-N 298.411 3.598 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 177755311 XIOTWUQFPLASIZ-KRWDZBQOSA-N 287.403 3.551 30 20 CHED CCN(CC(C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 178795368 UDJBNPYNANDFRC-INIZCTEOSA-N 287.407 3.719 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NCc1cccc(C#N)c1 179394456 PYEKEHVDBOMVNT-LIRRHRJNSA-N 276.383 3.971 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CCO[C@@H](CC)C2)C(C)C)c1 180165465 VZZDDSZICJRFTO-WMZOPIPTSA-N 299.414 3.615 30 20 CHED CC(C)(C#N)COC(=O)Cc1coc2cc3c(cc12)CCC3 180178125 KGYKLMUZWUKREY-UHFFFAOYSA-N 297.354 3.557 30 20 CHED CC(C)[C@H](NCCCC#N)c1ccc(F)cc1F 181654854 APWFEQISEFIGRL-AWEZNQCLSA-N 252.308 3.555 30 20 CHED Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C)C(C)(C)C#N 181877175 ZTBQAKSENSSCPB-GFCCVEGCSA-N 298.342 3.745 30 20 CHED COc1cc(F)cc(CN[C@H](C)c2cccc(C#N)c2)c1 182104833 KHSILHAYWMBMBW-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ccc2[nH]ccc2c1 182639466 CFDBNVSTROHAKU-CQSZACIVSA-N 284.403 3.962 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CSc2ccccc21 182642267 RTPCZVUDYUJHIT-TZMCWYRMSA-N 275.417 3.737 30 20 CHED Cc1nn(-c2ccccc2)cc1NCC(C)(C)CCC#N 183091201 NXPVZAIGYGFLBF-UHFFFAOYSA-N 282.391 3.923 30 20 CHED C[C@@H](c1ccncc1)N(C)Cc1ccc(O[C@H](C)C#N)cc1 183714087 ZHLJWWOKKBTCDM-CABCVRRESA-N 295.386 3.565 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(-c2ccccc2)s1 183822167 BAIFDTHVPRVHOB-ZDUSSCGKSA-N 284.384 3.837 30 20 CHED CC#CCCCC(=O)NCC1(c2cccc(Cl)c2)CC1 185640742 KJJCXPSLMJVZON-UHFFFAOYSA-N 289.806 3.681 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](O)[C@@H](C)C1 186619874 RUSIKLQVHBSNMA-HOTGVXAUSA-N 283.456 3.747 30 20 CHED C=CCC[C@@H](NC[C@@H](C)c1ncc(C)s1)C1CC1 186779159 BYCVJWXCANJOJE-BXUZGUMPSA-N 264.438 3.889 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CC1=CCCCC1 187511267 BBGOGOVCSCQIIE-UHFFFAOYSA-N 262.397 3.808 30 20 CHED CC(C)[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCS1 187711885 ZKYLHTKZXXRCKJ-XJKSGUPXSA-N 274.433 3.693 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc(F)c(C)c2)no1 188021869 KYTUYWYHWHVJFP-MRXNPFEDSA-N 290.338 3.664 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1cc(F)ccc1F 188540450 PQLTVZPDARLJHX-BZNIZROVSA-N 298.329 3.798 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1csc(Cl)c1 189612420 OCKFQBVYYCDPDK-SECBINFHSA-N 257.786 3.876 30 20 CHED CC[C@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 189685306 WXYZBFDKLOLKFD-ZFWWWQNUSA-N 258.365 3.584 30 20 CHED C=CCC1(C(=O)Nc2cccc3ncccc23)CCC1 191845456 WHVBOMFHVBJTPE-UHFFFAOYSA-N 266.344 3.920 30 20 CHED COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 192755241 ZTWUOIMPBXGLPG-CHWSQXEVSA-N 296.370 3.684 30 20 CHED C/C(=C\C(=O)N[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1 194622702 BWCQDFDKCUVGLR-PBQZMEPESA-N 296.292 3.527 30 20 CHED CCOc1ccc(C(=O)/C=C\c2c(C)nn(CC)c2C)cc1 206846911 NMJVDHMOHBPALI-QXMHVHEDSA-N 298.386 3.815 30 20 CHED CC(C)C1CCN(Cc2ccc(F)c(C#N)c2)CC1 229751077 FGOLACKILMLQAH-UHFFFAOYSA-N 260.356 3.565 30 20 CHED C[C@@H]1CC[C@@H](CN[C@H](C)c2ccc(OCC#N)cc2)C1 230406357 BVXKWFMGJSDUJJ-RBSFLKMASA-N 272.392 3.676 30 20 CHED CCCCOc1ccc(CNCCCCC#N)cc1 236638917 RUFNUKSHGVLYES-UHFFFAOYSA-N 260.381 3.649 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)Cc2cccs2)cc1 237385467 CVWJENMDNYPAGP-HNNXBMFYSA-N 299.439 3.871 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1nc(C)cs1 253354774 MNMPTIDWWWIZDT-UPJWGTAASA-N 263.410 3.575 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 264011539 BEEWMKRMYYSMGT-HNNXBMFYSA-N 292.382 3.657 30 20 CHED CC1(NC(=O)N[C@H](CCC#N)c2ccccc2)CCCC1 269701829 PUMBJAPOSDIOHH-OAHLLOKOSA-N 285.391 3.663 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc2ncsc2c1)OCC 270016724 HMGBYUIGUROCBS-CYBMUJFWSA-N 290.388 3.606 30 20 CHED C=CCn1c(S[C@@H]2CC[C@H](C)C2)nnc1C1CC1 272439866 STDAZQDPMLAZQV-CMPLNLGQSA-N 263.410 3.622 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(OC(F)F)c1 274604216 IPMYRTQTAADYRU-GVXVVHGQSA-N 280.318 3.631 30 20 CHED C#CC[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1 274988266 AREIPACKMHKRNK-DOTOQJQBSA-N 267.372 3.614 30 20 CHED CC(C)(C#N)CCCCSCc1cccc(C(N)=O)c1 278008775 VIXZSFGQJZQRLE-UHFFFAOYSA-N 290.432 3.739 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc(CC#N)c2)CCCC1(C)C 278334335 IQJQFPNDAVBJRD-KRWDZBQOSA-N 296.414 3.960 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CC(C)(C)C#N 278949882 HBHPCMNKSVWSLP-MEDUHNTESA-N 288.366 3.505 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc(OC(F)F)cc1 281166073 XGVKNUSLCDYKOH-CYBMUJFWSA-N 297.345 3.692 30 20 CHED N#Cc1cn(CCCCCF)c2ccc(Cl)cc2c1=O 283758874 AHCKKMGBSAVTRN-UHFFFAOYSA-N 292.741 3.666 30 20 CHED CN(C(=O)c1ccc(F)c(C#N)c1)C1CCC(C)(C)CC1 285516889 SSSLSWPSWOZPTA-UHFFFAOYSA-N 288.366 3.738 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2cccc(Cl)c2n1 285746271 HKIAPNTVCKXHRN-OAHLLOKOSA-N 287.750 3.767 30 20 CHED CCc1ccc([C@@H]2CCCCCN2C(=O)CCCC#N)o1 291538537 RIJYFVAESXPTTQ-HNNXBMFYSA-N 288.391 3.980 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2ccccc2)C1 292114425 AIDLZRDERIOPSB-HNNXBMFYSA-N 257.377 3.605 30 20 CHED N#C[C@]1(C(=O)Nc2ccc(Cl)cc2)CC12CCCC2 294198921 GZYUXYRHPXGZLV-HNNXBMFYSA-N 274.751 3.753 30 20 CHED N#Cc1ccc(-c2csc(NC3CCC3)n2)cc1 295162517 HCFWVIOCRGIBKF-UHFFFAOYSA-N 255.346 3.646 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccnc2ccsc12 301355847 KHTWVGCIYVJDCS-UHFFFAOYSA-N 279.368 3.804 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc(C#N)nc2)C1 301552563 YOMKNZSOGIGZFD-LSDHHAIUSA-N 277.371 3.644 30 20 CHED CC(C)CCOc1ccc(Nc2ccc(C#N)nn2)cc1 301993414 NNWYCJXWFYZICY-UHFFFAOYSA-N 282.347 3.517 30 20 CHED C=CCCCOC(=O)[C@H](C)Oc1ccc(F)cc1Cl 303739342 YNIFYGXKMASPGA-JTQLQIEISA-N 286.730 3.756 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2nc(Cl)c(C#N)s2)c1 311981765 OMURWPKDMMLAJL-UHFFFAOYSA-N 295.707 3.677 30 20 CHED N#CCc1cccc(NCc2cccc(F)c2F)c1 313492459 KVUVGUOXTPOMCE-UHFFFAOYSA-N 258.271 3.643 30 20 CHED Cc1coc2ccc(N=C(O)N[C@@H]3CSC3(C)C)cc12 328728217 DRWSDDJRSOSGJE-CYBMUJFWSA-N 290.388 3.770 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2ccc(C3CCC3)cn2)CCC1=O 329444103 KQQDEUNHOHAVEF-AAEUAGOBSA-N 286.375 3.942 30 20 CHED Cc1ncsc1N=C(O)c1cccc2c1OCC2(C)C 329573793 NNJSUSZXDLLKPM-UHFFFAOYSA-N 288.372 3.758 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C1 333761221 PFSZHKWNFXCPNT-RDTXWAMCSA-N 288.435 3.793 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CC2(CCC2)C1 335376256 OVXBPWJJMIOILN-CYBMUJFWSA-N 282.387 3.658 30 20 CHED N#CCCNC(=O)N1CCC[C@@H]1c1cccc2ccccc12 335793311 GYIAOOXCDLYXKJ-QGZVFWFLSA-N 293.370 3.600 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)c(Cl)c1C 335983405 JSWQFZGDZOVERJ-GFCCVEGCSA-N 278.783 3.625 30 20 CHED COc1cc(C)nc(CSc2ccccc2C#N)c1 339742350 KBWBNYIQEWHSNP-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CC(C)(C#N)CNc1ccc(C(F)(F)F)c(C#N)c1 340913900 KFYZFBNSXKBFFA-UHFFFAOYSA-N 267.254 3.539 30 20 CHED Cc1ccc(-n2cccn2)cc1NCCC(C)(C)C#N 345398420 IYILTNDSKIIRJJ-UHFFFAOYSA-N 268.364 3.533 30 20 CHED CCc1noc(-c2cn(CCCC#N)c3ccccc23)n1 345709004 GTJBVPDDMHNANV-UHFFFAOYSA-N 280.331 3.557 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(OC)cc2)CCCC1(C)C 347481748 KJCOXWQGNMZWAB-INIZCTEOSA-N 287.403 3.902 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)CCC#N)C1 353729899 OKQNXJFBAMBGTP-KGLIPLIRSA-N 279.428 3.584 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H]2CCC[C@@H]21 358804588 JPDJSFUGRYIGPE-HIFRSBDPSA-N 286.423 3.501 30 20 CHED C=CCOCCCS[C@H](C)C(=O)Nc1ccccc1C 359138508 VLRBWXUJAAMLEM-CQSZACIVSA-N 293.432 3.648 30 20 CHED CN(Cc1cccs1)Cc1ccc(Cl)cc1C#N 359832974 PTWYZAZLJVMORD-UHFFFAOYSA-N 276.792 3.905 30 20 CHED CCN(CCC#N)[C@@H](C)Cc1ccccc1C(F)(F)F 361647167 JXCGZTKVQXXQBC-LBPRGKRZSA-N 284.325 3.872 30 20 CHED C=CCCCCCN1CCC[C@](O)(C(F)(F)F)CC1 367374423 IHBWVGADKPDRAE-CYBMUJFWSA-N 279.346 3.512 30 20 CHED Cc1ccc([C@@H]2CCCN2c2cc(C#N)ccn2)cc1 367721618 QKIPFKSNAVDRDO-INIZCTEOSA-N 263.344 3.603 30 20 CHED C[C@H](NC[C@@H]1OCCc2ccccc21)c1cccc(C#N)c1 367748738 JUNUTDZXXCHNOO-LIRRHRJNSA-N 292.382 3.523 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCCOc2cc(F)ccc21 367901671 LKDDIGWYSXSFJB-HNNXBMFYSA-N 290.382 3.959 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1C1CCCC1)OCC 372202874 CEMMJXCMJDHMBZ-HZPDHXFCSA-N 279.424 3.539 30 20 CHED CC1(C)CN(Cc2ccccc2C#N)[C@H]2CCC[C@@H]21 378854205 XHLOLSPRBBZLRC-HOTGVXAUSA-N 254.377 3.569 30 20 CHED CC(C)(C#N)CCOc1ccc(Cl)c(F)c1F 396725501 TWKOKNGOSSKGFJ-UHFFFAOYSA-N 259.683 3.937 30 20 CHED N#Cc1ccc(OCC=C(Cl)Cl)cc1Cl 403339467 INZLKAGRMCJIGO-UHFFFAOYSA-N 262.523 3.909 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)c1ccc(F)cc1F 410146566 ZKHCDXIOFQHQRC-AAEUAGOBSA-N 281.346 3.929 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 410833996 IWSSQMPCSWIJNZ-CAOSSQGBSA-N 276.424 3.744 30 20 CHED C=CCC1(C(=O)Nc2ccc(C#N)cc2C(C)=O)CCCC1 411056992 OPTVSTSXJMBLCY-UHFFFAOYSA-N 296.370 3.836 30 20 CHED CC(C)OCCCN(C)CCC1(C#N)CCCCC1 411284939 PYRMWGGXXREXSM-UHFFFAOYSA-N 266.429 3.597 30 20 CHED C[C@H](N[C@@H]1C[C@H]1c1ccccc1F)c1cccc(C#N)c1 414164465 APXLLZSRDRXMQD-ULFGMLNVSA-N 280.346 3.904 30 20 CHED CC(C)(CC#N)CN[C@H](c1ccccc1)C(F)(F)F 414169748 SAARECPJVVSUKI-GFCCVEGCSA-N 270.298 3.819 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1cccc(OCC=C(C)C)c1 416166032 JQGDNWSNIXXYIM-OAHLLOKOSA-N 287.403 3.655 30 20 CHED C[C@]1(c2ccccc2)CC[C@H](NCC2(C#N)CCC2)C1 418144731 VBZKKDACLLCFLG-IRXDYDNUSA-N 268.404 3.780 30 20 CHED CC1(C)CCC(C(=O)N2CCc3c(C#N)cccc32)CC1 421657204 NRMRHUXEUCMWFJ-UHFFFAOYSA-N 282.387 3.664 30 20 CHED C[C@H](NCCNC1CCCCCC1)c1ccc(C#N)cc1 423273225 ITXZHGANEGNNRL-HNNXBMFYSA-N 285.435 3.521 30 20 CHED CCC[C@@H](C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425124090 DVWZLCAFYDKRAW-ZIAGYGMSSA-N 272.392 3.904 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c2cccc([N+](=O)[O-])c2n1 425276916 WODDBHINDZHRHA-NWDGAFQWSA-N 296.330 3.556 30 20 CHED CCCN(CC(C)C)C(=O)c1cccc(SCC#N)c1 429972026 YHIZOZMOHKYJKD-UHFFFAOYSA-N 290.432 3.810 30 20 CHED C=CC[C@H]1N(Cc2nc(C(C)(C)C)n[nH]2)CCCC1(C)C 433204524 HSYXVKIRWFVSSV-CYBMUJFWSA-N 290.455 3.669 30 20 CHED COc1cccc2c1CCCN2Cc1cccc(C#N)c1F 433306139 RJADYCXYIGRQBL-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CC(c2cccc(F)c2)C1 436283519 LPKVTZRLGMSADO-VSVYTNTFSA-N 289.394 3.643 30 20 CHED C=CC1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 437159315 IXSYZMMCJGOQBJ-UHFFFAOYSA-N 292.329 3.558 30 20 CHED CC(C)(CN[C@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 442782869 OXFCKXBFCUGVQG-DOMZBBRYSA-N 276.811 3.899 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2[C@H]3CCC[C@H]32)CCCC1(C)C 444635529 LAKOASGCNJAPQR-LJISPDSOSA-N 261.409 3.626 30 20 CHED C=CCCCc1nc([C@@H](OCC)c2ccccc2)no1 445781539 CADYQVVUSGWZDN-HNNXBMFYSA-N 272.348 3.704 30 20 CHED C=CCCCC(=O)N[C@H](c1cc(F)ccc1F)C(F)F 447707790 PKBPPMNAEVGRRJ-CYBMUJFWSA-N 289.272 3.744 30 20 CHED C=CC(C)(C)CNCc1ccc(OCC)c(F)c1 449483398 AEPTZANAFYQANZ-UHFFFAOYSA-N 251.345 3.526 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2nnc(C)s2)CCCCC1 450590409 DROJUOWHRQVRLV-LLVKDONJSA-N 293.436 3.550 30 20 CHED CC(C)N(CCS[C@@H]1CC[C@H](C#N)C1)C(C)C 450898174 BBRWRMJWGXQIEP-UONOGXRCSA-N 254.443 3.531 30 20 CHED C=CC(C)(C)CNC(=O)c1cnn([C@@H](C)CC)c1C1CC1 452774882 MRNYWDVTDAIREC-LBPRGKRZSA-N 289.423 3.674 30 20 CHED C=CCC1(c2nc(Cc3csc(C)n3)no2)CCCC1 453022548 OBNMLDZMDUHWLE-UHFFFAOYSA-N 289.404 3.813 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCCCC1(F)F)CC2 453244256 HASQSUKXPLRHBR-GOEBONIOSA-N 290.357 3.961 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2cc(F)ccc21 453365214 SHWIQLJTRHMWQM-ZACQAIPSSA-N 275.367 3.526 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(C#N)c(F)c1 453377600 IYBIZDOCIDEQCJ-ZMZPIMSZSA-N 298.336 3.860 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 454962729 NPSXSOPKQFFMRL-GHMZBOCLSA-N 298.308 3.584 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](CC)c1ccc(OC)cc1 455371487 SITWGRXEABTYRX-OAHLLOKOSA-N 290.407 3.658 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC(C(C)C)CC2)c1 455961865 ACQMCQGOQNCNCP-UHFFFAOYSA-N 285.391 3.767 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2cccc(CC#N)c2)C1 456920996 OYQDMFCDSVFCHA-HNNXBMFYSA-N 284.403 3.699 30 20 CHED N#CC[C@@H](CC(=O)N[C@@H](C1CCC1)C1CC1)c1ccccc1 457250593 PWVHSRVISMRWMO-HKUYNNGSSA-N 296.414 3.769 30 20 CHED C=C(CC)CNC(=O)N1CC2(CCCC2)[C@@H]1C(C)C 459110065 ZPWQTPCFNDKDGC-AWEZNQCLSA-N 264.413 3.563 30 20 CHED CC(C)(CC#N)CNC1CC(c2cccc(F)c2)C1 459727475 GNITZTYXHIKDQK-UHFFFAOYSA-N 260.356 3.601 30 20 CHED N#CCCCOc1cccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1 459770538 RKENOQWUGOAOSX-BPQIPLTHSA-N 284.403 3.647 30 20 CHED C[C@H](C(=O)NCc1ccccc1Cl)c1cccc(C#N)c1 461722187 BAQHFHJFCQATDT-LBPRGKRZSA-N 298.773 3.632 30 20 CHED CC[C@H](C)CN(CC)C(=O)[C@H](C)c1cccc(C#N)c1 462191878 UZHWEGQUEFTGEX-UONOGXRCSA-N 272.392 3.556 30 20 CHED CC#CCCSc1cc(Br)ccc1OC 462407332 FNTKRUHGHBEMMI-UHFFFAOYSA-N 285.206 3.963 30 20 CHED CCC[C@@]1(C)CCCN(Cc2cccc(C#N)c2)C1 464843664 XLXPSOPJUDAGRQ-KRWDZBQOSA-N 256.393 3.960 30 20 CHED COC(=O)c1ccc(C(C)C)c(NCc2ccc(C#N)o2)c1 466749857 QYYHKBOFYGCVJU-UHFFFAOYSA-N 298.342 3.673 30 20 CHED C=CCCN(C)Cc1c(OC)ccc2ccccc12 467382780 QCGYAUFHIISVSQ-UHFFFAOYSA-N 255.361 3.856 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](C)Cc2ccccc21 468001534 VBZCKRHCKMQAHV-CXAGYDPISA-N 257.377 3.814 30 20 CHED C=CCCCCNC(=O)COc1cccc2ccccc12 471667861 MWGKWKFCQNIBGF-UHFFFAOYSA-N 283.371 3.691 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 471702086 LWDWGWFFZRKABG-APIJFGDWSA-N 287.403 3.979 30 20 CHED C=CCCCCNCc1cn(C)nc1C1CCCCC1 472065814 ZUPOGOXOLVHTQD-UHFFFAOYSA-N 275.440 3.914 30 20 CHED CCCN(CC#N)Cc1cc2c(C)c(C)ccc2[nH]1 473132558 MGGZYFNFCLVDMD-UHFFFAOYSA-N 255.365 3.520 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 476646717 RSKRYPLTCPKENL-SJORKVTESA-N 298.430 3.969 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H](C)C(F)(F)F 477512493 DELYZFUPVNDRMD-NSHDSACASA-N 280.334 3.573 30 20 CHED CCC[C@H](CC)Sc1ncc([N+](=O)[O-])cc1C#N 480845521 MFPSBKHRDYGBKU-NSHDSACASA-N 265.338 3.532 30 20 CHED C=CCCCC(=O)N(CC(F)(F)F)[C@@H](C)C(C)C 481459601 ZVFMEVKJSAKNSQ-NSHDSACASA-N 265.319 3.778 30 20 CHED CC#CCCN1CCC(c2c(F)cccc2F)CC1 485895158 LSFZNNPCRPJJFD-UHFFFAOYSA-N 263.331 3.558 30 20 CHED COc1cccc(CCCOc2ccc(C#N)cc2F)c1 486695041 FQXBUVUOJRPEIG-UHFFFAOYSA-N 285.318 3.718 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CC2(C)C)c1 488321090 DWXGEDKCZBFHLP-OAHLLOKOSA-N 288.391 3.904 30 20 CHED C=C[C@H]1CCCCN1Cc1coc(-c2ccccc2)n1 489473088 HXICXUFRKWBOKF-INIZCTEOSA-N 268.360 3.882 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@H](C)c1ccccc1 494221287 WRMBGOIQHPXILH-HOCLYGCPSA-N 272.392 3.540 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(C)cc1 494705919 CPQFFSFABLQYBB-ZBFHGGJFSA-N 272.392 3.806 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 508766033 VUGKYEQRQVQBGA-JKSUJKDBSA-N 284.403 3.769 30 20 CHED C=CCOc1ccccc1CN=c1[nH]c2ccccc2s1 517660987 DUEJYGLRAZNHGQ-UHFFFAOYSA-N 296.395 3.895 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccc(C(C)(C)C)cc1 519922771 XHRFMINBVOCAQN-UHFFFAOYSA-N 286.419 3.868 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H](CC)C1 525362329 XGZUHEFVDYZSON-HUUCEWRRSA-N 287.403 3.950 30 20 CHED CC[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cc(C)ccc1C 528025000 IUAZSQLWERQZOP-UXLLHSPISA-N 299.418 3.746 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(COC(C)C)c1 528195396 BYASKXWJPFRDJP-UHFFFAOYSA-N 288.391 3.880 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc2c1OC(C)(C)C2 530501967 KDWVLVPIBVJTAG-QGZVFWFLSA-N 273.376 3.941 30 20 CHED C=C(C)COc1c(C)cc(Br)cc1[N+](=O)[O-] 530766727 JFEDBZVJJATENP-UHFFFAOYSA-N 286.125 3.621 30 20 CHED N#Cc1ccc(F)cc1CN1CCCC12CCCCC2 535443287 UBCLWZOTIPMBND-UHFFFAOYSA-N 272.367 3.996 30 20 CHED CCOc1cccc([C@H](C)NCC#Cc2ccc(F)cc2)c1 538177365 TYIOPDWTPDELLP-HNNXBMFYSA-N 297.373 3.927 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccccc1SC 540749754 MRFLUFAEPKWBHZ-ZDUSSCGKSA-N 277.433 3.812 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)CC2CCCCC2)c1 541591598 PJHSAYTZNNSALE-UHFFFAOYSA-N 270.376 3.777 30 20 CHED CCC1(C)CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 541760751 NLWIUWTZVZDYAG-UHFFFAOYSA-N 290.794 3.864 30 20 CHED CC#CCCNC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 542671397 VMHLTSJFNUQUNK-UHFFFAOYSA-N 295.169 3.618 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)[C@H](C)C1CCCCC1 543463351 KIZWQHSURCJKPX-DZKIICNBSA-N 253.430 3.508 30 20 CHED C/C=C/COc1ccc(CC[C@H](C)NC[C@@H](C)C#N)cc1 547361821 PERULHLLEUTNCV-SWJNODNISA-N 286.419 3.712 30 20 CHED C=CC[C@@H](CC)NC(=O)NC12CC3CC(CC(C3)C1)C2 547373988 FBXYPFXOQPFKPL-UZZMVUAXSA-N 276.424 3.609 30 20 CHED C=CC[C@@H](C(=O)NCCc1ccc(C)o1)c1ccccc1 547629940 IVKFXEKDTPTGIF-QGZVFWFLSA-N 283.371 3.607 30 20 CHED C=CCC[C@H](C(=O)NCCc1ccc(C)o1)c1ccccc1 548282244 PALDGXCMLMARNC-SFHVURJKSA-N 297.398 3.997 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](CC)Cc1ccccc1 550224678 YLJXLBMSRMELLP-HNNXBMFYSA-N 259.393 3.726 30 20 CHED C=C[C@@H](CC(=O)N(C1CC1)C1(C#N)CCC1)c1ccccc1 551309444 XHQWSSNFZAORGC-HNNXBMFYSA-N 294.398 3.784 30 20 CHED C=CCC(C)(C)C(=O)N1CCC=C(c2ccccc2)C1 552041852 NAOMVBOSJZQPOX-UHFFFAOYSA-N 269.388 3.905 30 20 CHED N#Cc1ccc(CN2CCC[C@H](c3ccccc3)C2)cc1 552274380 RAWIFKSLWSZDMH-IBGZPJMESA-N 276.383 3.938 30 20 CHED CCC[C@H](Nc1cc(C#N)ccn1)c1ccccc1 552909642 KFSFJEZRWVIVLH-HNNXBMFYSA-N 251.333 3.907 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)c1ccnc(C#N)c1 552967216 HKTZYVGJKOVICE-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=C[C@@H](CC(=O)NC[C@H]1CCCSC1)c1ccccc1 553733460 BCICTSYFZVYLHB-CABCVRRESA-N 289.444 3.606 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc(C(C)(C)C)nc1 554577543 NYBXQZPZVBBKOH-UHFFFAOYSA-N 289.423 3.593 30 20 CHED CN(Cc1cccc2ccccc12)[C@@H]1CC[C@@H](C#N)C1 555314729 NJYHONBOOVXFFC-RHSMWYFYSA-N 264.372 3.964 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2c(c1)CCC=C2 556559290 PFVXDZIWPPBMBL-UHFFFAOYSA-N 255.361 3.684 30 20 CHED CCC[C@@H](C)CC(=O)N[C@@](C)(C#N)C1CCCCC1 559594420 BQZAACJFGXGBPN-CJNGLKHVSA-N 264.413 3.791 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC 560709870 DEHZZRKPKAHBIW-KBPBESRZSA-N 285.391 3.755 30 20 CHED C=CCCCc1nc(Cc2ccc(F)cc2Cl)no1 562196012 IWCHSKVGSXLFFD-UHFFFAOYSA-N 280.730 3.962 30 20 CHED Cc1nc(C(C)C)ccc1COc1cccc(C#N)c1 570303643 LSSXCEORBNRACR-UHFFFAOYSA-N 266.344 3.964 30 20 CHED N#Cc1ccc(CN2CCC[C@H](c3ccccc3)CC2)nc1 576177716 XSTGPGYJVQXTIW-SFHVURJKSA-N 291.398 3.723 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 583679922 HKRAHSYZKSAYPC-GVDBMIGSSA-N 296.414 3.747 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)c1nc(C(C)(C)C)cs1 587972314 LSCSYMHXCIZKNE-JTQLQIEISA-N 286.404 3.880 30 20 CHED CCC[C@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 590030109 HGDIIOLVVSGJGK-JTQLQIEISA-N 286.400 4.000 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H](C2CCC2)C1 591063353 RFUFIWXXLHQSTH-DYVFJYSZSA-N 254.377 3.741 30 20 CHED C=C1CCN(C(=O)COc2ccccc2[C@@H](C)CC)CC1 591091452 DJXBPQBIAJQGAR-HNNXBMFYSA-N 287.403 3.758 30 20 CHED Cc1cc(-c2ccc(CC#N)s2)ccc1O[C@@H]1CCOC1 592984742 RECDLGKZMIPGRI-CQSZACIVSA-N 299.395 3.957 30 20 CHED C[C@@H]1CCCN1Cc1ccc(-c2cncc(C#N)c2)cc1 592984847 BIOARESLEUPHTB-CQSZACIVSA-N 277.371 3.605 30 20 CHED CC(C)O[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 593054596 WQLWTSGOYXKMLT-INIZCTEOSA-N 292.810 3.601 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 593136965 YQOKMAVIVHUFHQ-QLFBSQMISA-N 274.408 3.520 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl 593557463 BZSNLURJDLLDHB-VHSXEESVSA-N 299.201 3.590 30 20 CHED N#CCCCOc1cccc(CNC2CC3(CCC3)C2)c1 593688269 NSRPEHQWOKAGHY-UHFFFAOYSA-N 284.403 3.791 30 20 CHED N#CCC1(CNc2ccccc2CC(F)(F)F)CC1 594705940 QQUIPHHNOZDZKL-UHFFFAOYSA-N 268.282 3.897 30 20 CHED C=CCCSCCN[C@H](C)c1cccc(NC(C)=O)c1 595059879 QWCAICDGXRLNSS-CYBMUJFWSA-N 292.448 3.605 30 20 CHED CCc1nc(C#N)cc(N[C@H](c2ccccc2)C(C)C)n1 596064640 ZEGRMJHAWNTVOW-KRWDZBQOSA-N 280.375 3.720 30 20 CHED N#CC1(CC(=O)NC2CCCCCC2)CCCCC1 596628522 GYRZJKKIMVSARR-UHFFFAOYSA-N 262.397 3.690 30 20 CHED CC(C)(CCC#N)CN1CCC[C@H]([C@H]2CCCCO2)C1 597225641 RSUWKYSISXLIRD-JKSUJKDBSA-N 278.440 3.597 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)c2ccccc12 597902755 UQLIPQQLXDDXJA-HNNXBMFYSA-N 292.382 3.914 30 20 CHED CC(C)[C@H]1N(C[C@@H](O)CC(C)(C)C#N)CC12CCCCC2 598706694 UDPXZUZEIMBRPQ-JKSUJKDBSA-N 292.467 3.578 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCCC(F)(F)CC1 599553202 ULGYPYRNOYTDLK-UHFFFAOYSA-N 284.737 3.833 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCCC 601877959 ZAOOEFSCLNQLJA-UHFFFAOYSA-N 252.402 3.564 30 20 CHED Cc1cc(C(=O)N2CCCC2)ccc1NC[C@H](C)CCC#N 602686745 CVVKHMMZBJONRW-CQSZACIVSA-N 299.418 3.583 30 20 CHED N#Cc1cccc(CN2CCC3(CCSCC3)CC2)c1 602736615 ONRFNLPAWXNBNC-UHFFFAOYSA-N 286.444 3.667 30 20 CHED COc1ccc([C@H](NCC2(CC#N)CC2)C(F)(F)F)cc1 602803785 ANXNVMWKPMJYIY-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H]2CCCC[C@@H]21 603662359 UDQWTQXLPXOXHS-OLMNPRSZSA-N 268.404 3.959 30 20 CHED CCC[C@H](C#N)NC(=O)CCSc1ccccc1Cl 608815203 KMWGLPVLYCMJNF-LLVKDONJSA-N 296.823 3.631 30 20 CHED C[C@H](NC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C)c1cccc(C#N)c1 610351385 RNMFFPTZQGZPKW-WVZRYYJFSA-N 299.418 3.743 30 20 CHED N#Cc1cccc(NCc2nccc3ccccc23)c1 611530167 AJZAUZGTOAFFRM-UHFFFAOYSA-N 259.312 3.719 30 20 CHED Cc1ccc(C)c(CN[C@H]2CCc3cc(C#N)ccc32)c1 618741526 GWWMZCTZRUSCJQ-IBGZPJMESA-N 276.383 3.952 30 20 CHED Cc1ncc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 618802878 MEGHJHKDZJPQKT-ZUZCIYMTSA-N 283.400 3.661 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCCc3c(O)cccc32)CCCC1 619111276 SFPVGMKJFQRTIS-MRXNPFEDSA-N 299.414 3.817 30 20 CHED Cc1cccc(CCNc2nc(C(C)(C)C)ccc2C#N)n1 619499384 ITNAFODYUXKDBS-UHFFFAOYSA-N 294.402 3.609 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc([C@@H]2CCOC2)c1 620857938 PIZDOAFUSIPSGI-MRXNPFEDSA-N 287.403 3.665 30 20 CHED C=CCN(C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ccccc1 627376639 JBUMRZBONMVWBN-GBESFXJTSA-N 289.378 3.792 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NC[C@H](C)CC(F)(F)F)C1 661322069 OXBKBARUYSPRRZ-VXGBXAGGSA-N 292.345 3.573 30 20 CHED C=CCC1(NCCC(=O)Nc2cccc(F)c2)CCCC1 661849469 WMOHSVKIGOSMEK-UHFFFAOYSA-N 290.382 3.633 30 20 CHED C=CCOc1cccc(NC(=O)NCCC(C)(C)F)c1 665847068 HCEPPRQXEQBAER-UHFFFAOYSA-N 280.343 3.511 30 20 CHED CCC#C[C@H](C)N1CCC(C(=O)c2ccc(F)cc2)CC1 684002846 ORCRTAMSKQVYSX-AWEZNQCLSA-N 287.378 3.522 30 20 CHED C=C(C)CCN1Cc2ccc(Br)cc2C1 708004152 RBDFBXCAXSSHLV-UHFFFAOYSA-N 266.182 3.731 30 20 CHED CCCCCCCCCN(C)c1nccnc1C#N 726595863 SUYCPBIEZWDSQX-UHFFFAOYSA-N 260.385 3.535 30 20 CHED CCc1ccc(C=NNc2cccc(OC)c2)s1 731151619 MOUVMSNQIISFPW-UHFFFAOYSA-N 260.362 3.765 30 20 CHED CC(=NNc1ccc(F)cn1)c1cc(C)sc1C 731318584 LMMGRZQDACVMJA-UHFFFAOYSA-N 263.341 3.735 30 20 CHED C=CC1CCN(C(=S)Nc2cccc(Cl)c2)CC1 731943360 WIUNJOLKJGVFDF-UHFFFAOYSA-N 280.824 3.935 30 20 CHED COc1cccc(O)c1C=Nc1ccc(OCC2CC2)cc1 733081137 OPBBMKZAXDXYSK-UHFFFAOYSA-N 297.354 3.940 30 20 CHED C[C@H]1CCC[C@@H](N2CCC(=NNC3CCCC3)CC2)C1 733747313 JDXAKHDGTFIQMR-WMLDXEAASA-N 277.456 3.549 30 20 CHED COc1ccc(/C=C\C(=O)c2sccc2C)c(OC)c1 733749374 MCSIRVZPXDCQBL-ALCCZGGFSA-N 288.368 3.970 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cnn(CC)c1 733923916 UEYPNALMADSIIN-CQSZACIVSA-N 279.428 3.629 30 20 CHED C=CC[C@@H](NC(=O)NCC1(C)CCCC1)c1ccncc1 734668884 MOPPHEUSZYHHQU-OAHLLOKOSA-N 287.407 3.578 30 20 CHED FC(F)(F)c1ccccc1OCCON=C1CCC1 735489957 LRUFOLHQTKOHPS-UHFFFAOYSA-N 273.254 3.641 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CCc1ccccc1F 735670828 WIYWTJVGLMTPRY-AWEZNQCLSA-N 282.362 3.933 30 20 CHED CC(CC12CC3CC(CC(C3)C1)C2)=NNc1cccnn1 735975863 DFSRVXUWRMJJTJ-UHFFFAOYSA-N 284.407 3.871 30 20 CHED C=C(Cl)CNC(=S)Nc1c(C)cc(C)cc1Cl 735981574 JOWCXSLSBZGADO-UHFFFAOYSA-N 289.231 3.996 30 20 CHED C=C(C)CCOC(=O)c1oc2ccc(OC)cc2c1C 744303792 WMDLQMHJDISVDW-UHFFFAOYSA-N 274.316 3.873 30 20 CHED CC(=NOCc1cccnc1)c1ccc(Cl)s1 746585897 OPSSRJPWNZTHGZ-UHFFFAOYSA-N 266.753 3.737 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)C#Cc2ccccc2)c1 747212791 DQWRSJSHIRNGPX-IBGZPJMESA-N 289.378 3.710 30 20 CHED C=CCN(C(=O)N[C@H](C)[C@H](C)c1ccccc1)C(C)C 747587992 APJJQXRGTSNSNA-LSDHHAIUSA-N 274.408 3.785 30 20 CHED C=CCC[C@H](NC[C@@]1(O)CCCc2ccccc21)C1CC1 747872121 SYKIYWSUNCTWGT-OALUTQOASA-N 285.431 3.545 30 20 CHED N#Cc1cccc(CNc2ccc(OCC(F)F)cc2)c1 748237646 DIQIQEQMDGNDDB-UHFFFAOYSA-N 288.297 3.814 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1ccccc1C#N 748445850 HASFDFVCDHTMQR-HUUCEWRRSA-N 297.379 3.775 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C\c1c(O)cccc1OC 749929815 FRONNWANSLYPCQ-ZLLMVIPJSA-N 293.432 3.884 30 20 CHED C=C(Cl)COC(=O)c1oc(-c2ccccc2)nc1C 750947346 NGZXTALDVJRENI-UHFFFAOYSA-N 277.707 3.559 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3cccc(F)c3)ccc21 751525602 JGZLHDGHWSITEI-SOFGYWHQSA-N 281.330 3.714 30 20 CHED CC(C[C@H]1CCOC1)=NNc1nccc2sccc12 751526737 MCVLFTXOYIDNFY-LLVKDONJSA-N 275.377 3.511 30 20 CHED C=C(Br)CNC(=O)C[C@@H]1CCCCC1(C)C 751730498 HZBNSKRQTKVNFA-NSHDSACASA-N 288.229 3.618 30 20 CHED COc1ccc2c(c1)CC(=NNc1ccc(C#N)cc1)CC2 752727706 QTICPAOLWCOUFR-UHFFFAOYSA-N 291.354 3.524 30 20 CHED CC(=Nn1cc(Br)cn1)c1ccccc1Cl 752742315 DDNGZVAPFLNEMI-UHFFFAOYSA-N 298.571 3.571 30 20 CHED C[C@H](NCC1(C#N)CC1)c1csc2ccccc12 754743128 ZVZKZDVEAOGVPT-NSHDSACASA-N 256.374 3.856 30 20 CHED N#Cc1cc(/C=C2\Cc3ccccc3C2=O)ccc1F 756267753 OOVJYXFNVQUAMV-NTUHNPAUSA-N 263.271 3.520 30 20 CHED C=CCN(C(=O)c1cnn(CCC(C)C)c1CC)C(C)C 756648061 ZWKUYOGJWFTRED-UHFFFAOYSA-N 291.439 3.528 30 20 CHED C#CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 756954288 WTKLSZKCMGFKFJ-OAHLLOKOSA-N 296.326 3.780 30 20 CHED N#Cc1cc(COC(=O)c2ccc(Cl)cc2)ccc1F 758908690 GVATWOANZCOGRX-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cn1cnc2cc(/C=C3\Cc4cc(F)ccc4C3=O)ccc21 761206221 SCADSDJNSSNIFV-AWNIVKPZSA-N 292.313 3.535 30 20 CHED C=CCN(C(=O)c1ccc2nc(C)sc2c1)C(C)C 761706614 KRCZYLRFDJBEPI-UHFFFAOYSA-N 274.389 3.641 30 20 CHED COc1cccc(/C=C\C(=O)c2ccco2)c1OC(F)F 762303349 FFWILQHOVRSZGF-FPLPWBNLSA-N 294.253 3.786 30 20 CHED CC#CC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 764440220 ZPDLTJIGSLRXIQ-HNNXBMFYSA-N 289.787 3.630 30 20 CHED C#CCN[C@@H](C)c1ccc(-c2ccccc2OC)cc1 764598139 CFKRWYYRQWFJBC-AWEZNQCLSA-N 265.356 3.646 30 20 CHED C#CCN(C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C)C1CC1 764678512 MLRVOJNFVDQQHK-GOSISDBHSA-N 298.430 3.753 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C(C)(C)C)oc2c(F)cccc12 765618610 PIQHTZBAARTVJB-LBPRGKRZSA-N 289.306 3.975 30 20 CHED CCCCCCCCCC(=O)N1CCO[C@@H](C)[C@@H]1C 765983427 KTHCPMNIASMPLW-GJZGRUSLSA-N 269.429 3.763 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(C#N)c(C)c1)C2=O 766491793 OYUWTQXWSGKGMB-MFOYZWKCSA-N 273.335 3.998 30 20 CHED C#CCCCN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 766902387 HXPAIZRZGLHBKF-ROUUACIJSA-N 255.405 3.976 30 20 CHED COc1cc(OC(=O)CCCC(C)(C)C)ccc1C#N 767157681 URTHYBOUJLENNI-UHFFFAOYSA-N 275.348 3.689 30 20 CHED CCCCCC[C@H](C)NN=C(C)c1cscn1 767901257 QMUAFRVZUDTRDL-NSHDSACASA-N 253.415 3.816 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2nnc(-c3ccccc3)n2C)C1 768359984 IKAXGOCUWZXKKC-ZIAGYGMSSA-N 297.406 3.706 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)OCc1ccc(C#N)cc1F 769177202 HZQLWCHGJNAZBT-DGCLKSJQSA-N 275.323 3.567 30 20 CHED O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cscn1 769260574 MSKPFPDTWQDLOW-RQOWECAXSA-N 294.719 3.601 30 20 CHED CC(C)(C)c1ccc(C=NOC[C@@H]2CCCOC2)cc1 769876900 HQNLAFZCULFPID-OAHLLOKOSA-N 275.392 3.761 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccc(Cl)nc2)ccc1F 770573487 CRXBVMYKAVBNQU-DJWKRKHSSA-N 286.693 3.642 30 20 CHED O=C(/C=C/c1ccccc1OC(F)F)c1sccc1O 771746278 ZBDIAJQLOPBLFX-AATRIKPKSA-N 296.294 3.951 30 20 CHED CCON=C(CC)c1cc(F)cc(Br)c1 776186622 WSJVXCBBKQHSTP-UHFFFAOYSA-N 274.133 3.739 30 20 CHED C#CC[C@@H](NCc1nc2c(s1)CCCC2)c1ccccc1 776485888 BGRPXGKCMHTVRO-OAHLLOKOSA-N 296.439 3.876 30 20 CHED CCCc1ccc(OC(=O)Cc2ccccc2CC#N)cc1 777007412 NESOWCVHCNBDHR-UHFFFAOYSA-N 293.366 3.853 30 20 CHED CC(=NNCc1cc(F)ccc1F)C1CCSCC1 777432975 RHEGOJUZUGQXKC-UHFFFAOYSA-N 284.375 3.574 30 20 CHED CCSCCON=Cc1ccc(Br)cc1 778024512 QPRGESPTBDWOJV-UHFFFAOYSA-N 288.210 3.553 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccc(C)c(C)c2)c1 778219765 NFYWBYYMAMSKKS-UHFFFAOYSA-N 264.328 3.929 30 20 CHED CCCCCC(CCCCC)NC(=O)[C@@H](C)C#N 779057203 FSQGDFQCCGWUAR-ZDUSSCGKSA-N 252.402 3.791 30 20 CHED CC[C@H]1CCCCC1=NNCc1ccc(C#N)cc1 779781571 DUBWJZAIPGTQIX-HNNXBMFYSA-N 255.365 3.604 30 20 CHED CC1(C)C[C@@H](NN=C2CC(C)(c3ccccc3)C2)CCO1 780249994 JUSKQOITLRZRPP-BUSXIPJBSA-N 286.419 3.641 30 20 CHED CC(C)(C#N)CNC(=O)Nc1cccc(SC(F)F)c1 781849602 LCDFUGCOJKREIB-UHFFFAOYSA-N 299.346 3.673 30 20 CHED Cc1ccc2cc(C=NNc3ccnc(F)c3)ccc2n1 783523149 DEHSFOSDDQOVLT-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ncccc1Cl 783832483 JSKXBLKXYROYOI-MNOVXSKESA-N 251.761 3.959 30 20 CHED CC1(C)CCC(=NNCCCOc2ccccc2)C1 783841325 JPLLXWHYONATFZ-UHFFFAOYSA-N 260.381 3.611 30 20 CHED CC(C)(NCc1ccc(CC#N)cc1)c1ccc(F)cc1 784178618 YELQUTAKMHGIMN-UHFFFAOYSA-N 282.362 3.917 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cnc2ccccc2c1 785617621 QLVHTTFIHGGWEZ-HXUWFJFHSA-N 299.377 3.884 30 20 CHED Cc1ccccc1C(=NNc1ncccc1C)C1CC1 790184883 CMJTZVDHKCXBJQ-UHFFFAOYSA-N 265.360 3.925 30 20 CHED Cc1ccnc(CON=Cc2ccc(Cl)cc2)c1 790488454 BBFTWCMQSGEVRZ-UHFFFAOYSA-N 260.724 3.594 30 20 CHED C=CC[C@H](C(=O)OCc1cc(C)ccn1)c1ccccc1 791454231 ZSGRQKKGUPBVNN-KRWDZBQOSA-N 281.355 3.793 30 20 CHED COc1ccc(C(C)=NNc2cccc(Cl)n2)c(F)c1 793176173 ZVJCUQCDYRHASN-UHFFFAOYSA-N 293.729 3.719 30 20 CHED COCCCON=C1CCSc2c(Cl)cccc21 795049150 YGOYVFVPVUQYFD-UHFFFAOYSA-N 285.796 3.593 30 20 CHED CCCCCCC[C@@H](C)CNC1CCC(O)CC1 796703164 SRMYFDXSMYHKBL-QQFBHYJXSA-N 255.446 3.876 30 20 CHED C=CCC[C@H](N[C@H](CCO)Cc1ccccc1)c1ccco1 796986527 WWABRVRSLYEQIU-MSOLQXFVSA-N 299.414 3.870 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 797026356 SXNGDONZROQMKR-RBSFLKMASA-N 263.381 3.830 30 20 CHED C=CCOCCOC(=O)[C@H](c1cccc(Cl)c1)C(C)C 797323630 LOUMDEDBYVMQAC-HNNXBMFYSA-N 296.794 3.825 30 20 CHED Cn1cnc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 798232205 OOPTZTJFEBITRD-VAWYXSNFSA-N 288.350 3.983 30 20 CHED Cc1ccc(-c2nc(C3CCCCC3)no2)cc1C#N 799761650 MZDJCOJOBOJWBQ-UHFFFAOYSA-N 267.332 3.964 30 20 CHED CCCCc1ccc(C(=O)/C=C/c2cn(C)cn2)cc1 800792976 JKZXKVVJQUYTCW-ZHACJKMWSA-N 268.360 3.659 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NCCO[C@@H](C)C#N 801937410 MHZBSOGUPZOJBD-DOTOQJQBSA-N 274.408 3.601 30 20 CHED C[C@H](C#N)OCCN[C@@H](c1ccc(F)cc1F)C(C)(C)C 801938954 LRSBVUMCQITXES-ABAIWWIYSA-N 296.361 3.570 30 20 CHED C#CCCCC(=O)Nc1ccc2nc(C(F)F)sc2c1 803611116 BUYQATQRMKMVTD-UHFFFAOYSA-N 294.326 3.976 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)[C@H](C)CC)c1ccc(Cl)cc1F 804422974 CCCDMJRAXGAYSM-ZETOZRRWSA-N 295.785 3.952 30 20 CHED C=CCCCCCCNC(=O)Cc1ccccc1CC#N 805220469 SIZXMJILXQHASW-UHFFFAOYSA-N 284.403 3.548 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2ccccc2c1 806092961 IYEXFXLWZCPNEN-HNNXBMFYSA-N 266.344 3.763 30 20 CHED C=CCCCCCCNC(=O)Nc1cnn(CC2CC2)c1 806315189 KYNSYKPHEYVGJJ-UHFFFAOYSA-N 290.411 3.551 30 20 CHED C[C@@H](NC(=S)NCC(C)(C)CCC#N)c1cccs1 806596928 BPNIWKJWJJOYFH-LLVKDONJSA-N 295.477 3.603 30 20 CHED C=CCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808787861 LJJQEKFOTFYHMQ-ZWKOTPCHSA-N 267.372 3.627 30 20 CHED Cc1ccc(-c2nc([C@H]3CCCCS3)no2)cc1C#N 809446303 QPSLWXXHEUFWMW-CYBMUJFWSA-N 285.372 3.875 30 20 CHED C#C[C@H](NC1CC(c2cc(F)cc(F)c2)C1)C(C)(C)C 809783241 WFMPDTJPSFJVJJ-MOQPWLNLSA-N 277.358 3.848 30 20 CHED C#Cc1ccccc1CC(=O)NCCC1=CCCCCC1 810682011 QZJMVCZZMTVWCS-UHFFFAOYSA-N 281.399 3.607 30 20 CHED C1CCC2(C1)CCC(=NNC[C@@H]1CCSC1)CC2 811658748 JJSDIHYNOUCNKR-ZDUSSCGKSA-N 266.454 3.820 30 20 CHED Cl/C=C\CON=Cc1ccc(Sc2ccccn2)o1 811669789 USZQHKMLWDIOSW-BTLXXPEDSA-N 294.763 3.929 30 20 CHED N#Cc1ccc(/C=C2\Oc3cccc(Cl)c3C2=O)c(F)c1 811697354 JWAHQIUXUBNOTM-AUWJEWJLSA-N 299.688 3.967 30 20 CHED CC(C)OCCON=C[C@H](c1ccccc1)C(C)C 812239364 UACCBYIJEORYNO-INIZCTEOSA-N 263.381 3.854 30 20 CHED C#CCCCCNC/C(C)=C\c1ccccc1COC 814293162 SSGOXLMXIRXDCR-SSZFMOIBSA-N 271.404 3.629 30 20 CHED C(=NNc1nccc2sccc12)c1ccc2oncc2c1 814808780 HZDMJAZCBKTRDC-UHFFFAOYSA-N 294.339 3.884 30 20 CHED CSCc1cnc(C=NNc2cc(F)cc(F)c2)s1 814812840 AVCWMGAQSDPHNS-UHFFFAOYSA-N 299.371 3.730 30 20 CHED COCC(=NNc1ccc(C)cn1)c1ccc(Cl)cc1 814831463 CQUNKRAZJALWSQ-UHFFFAOYSA-N 289.766 3.506 30 20 CHED CCCC(=NNc1cccc(F)c1F)c1ccccn1 814859550 SOOCEKZEPJKWEU-UHFFFAOYSA-N 275.302 3.976 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 814934445 VJJFCTABCCFELI-NEPJUHHUSA-N 273.367 3.919 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(OC)cc2)cc1 814984269 NIEBZMMEWHQHPG-UHFFFAOYSA-N 284.359 3.930 30 20 CHED C=C[C@H](CC)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 820330530 GPOSXOXXCWPLRX-GFCCVEGCSA-N 290.363 3.548 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc(C#N)cc1C 820346809 YZIUDDYQEWFIGZ-UHFFFAOYSA-N 257.333 3.512 30 20 CHED C[C@H](C#N)CNCc1ccc(N(C)Cc2cccs2)cc1 824153611 QBGKMPLLIRFANZ-CQSZACIVSA-N 299.443 3.634 30 20 CHED C[C@@H]1O[C@H](C)C[C@@H]1Nc1ccc(OC(C)(C)C)c(C#N)c1 824722510 URVTVQGSEPQINR-XUJVJEKNSA-N 288.391 3.713 30 20 CHED CC/C(C)=C\C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 826689787 PMFNEQXJGYCESS-RICGDEPASA-N 282.387 3.641 30 20 CHED C[C@]1(CNc2c(F)cc(C#N)cc2F)CC1(Cl)Cl 828791016 ODTQYDFGAYTUFS-LLVKDONJSA-N 291.128 3.832 30 20 CHED C[C@@H](C=NOC/C=C/Cl)c1cc(F)cc(F)c1 834978522 HPVXCNALEDKNLE-NYHSHUBMSA-N 259.683 3.823 30 20 CHED CO[C@@](C)(C=NNc1ccc(C)cc1Cl)C1CC1 835011694 MSXIORQCKPCMNI-AWEZNQCLSA-N 266.772 3.861 30 20 CHED C=CCCC[C@@H](C)OC(=O)[C@@H]1CC12CCSCC2 835271124 ZAJKXSMVSISGGF-OLZOCXBDSA-N 268.422 3.808 30 20 CHED CC#CCCCCOC(=O)[C@H](CC)CC(F)(F)F 835310487 FVFHZRHSQJBGBH-LLVKDONJSA-N 264.287 3.702 30 20 CHED C=CC(C)(C)COC(=O)[C@@H](CCC)c1ccccn1 835722665 VOCRELMNHLFZHG-ZDUSSCGKSA-N 261.365 3.721 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1C[C@H](C)n2ccnc21 836374290 OEFNLYBBIQZYQK-UONOGXRCSA-N 292.427 3.549 30 20 CHED C[C@@H](C#N)C(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1 836813251 WIHWCZMXSSEXLA-QMMMGPOBSA-N 298.358 3.954 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2c(F)cccc2Cl)C1 839060349 ZQOAGWCRWNPECR-ZJUUUORDSA-N 281.714 3.718 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@]2(C)CC=CCC2)cc1 839193788 YFVRKRWQGFFPFT-WMLDXEAASA-N 270.376 3.566 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)=C1CCC1 840537491 IIUUEHRSUNMHPK-KRWDZBQOSA-N 269.388 3.790 30 20 CHED C#C[C@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccccc1 843642758 YDODWGPIBIQPNI-HBFSDRIKSA-N 289.378 3.671 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1CCC(=O)C1 843822121 PTYXAGJWFGZDEH-CQSZACIVSA-N 267.413 3.613 30 20 CHED C=C(C)CON=C(C)c1sc(C(C)C)nc1C 844618979 QFUACKJYSUTOFN-UHFFFAOYSA-N 252.383 3.892 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(C)c(Cl)c(C)c1 844654582 JQSJDTCKTGRRIC-SNVBAGLBSA-N 268.744 3.584 30 20 CHED Cc1cc(C#N)ccc1N1CCO[C@@H](c2ccc(F)cc2)C1 846748261 LRFXNUWLKIKMKQ-GOSISDBHSA-N 296.345 3.584 30 20 CHED CC(F)(F)CC/N=C(/Nc1ccccc1)N1CCCCC1 849032165 GVKGBXOTNIVFKD-UHFFFAOYSA-N 295.377 3.986 30 20 CHED CC#CCCCC(=O)OCCSc1cccc(OC)c1 849757688 LYQVQXWJCYATHI-UHFFFAOYSA-N 292.400 3.524 30 20 CHED CCOc1ccccc1C=NOCc1cccc(OC)c1 849816348 ORUSAVHDBKKLGP-UHFFFAOYSA-N 285.343 3.645 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)Cc1ccc(C#N)cc1 851206416 RYQNLJWQSBIVRZ-KGLIPLIRSA-N 298.386 3.608 30 20 CHED CS[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccc1 851210351 UEHWDVFZSVSWAG-TZMCWYRMSA-N 291.416 3.962 30 20 CHED C#C[C@@](C)(CC)NCc1ncc(-c2ccccc2C)o1 852101910 IIASFLVMSPFJBM-KRWDZBQOSA-N 268.360 3.542 30 20 CHED Fc1cccc(NN=C[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 853344237 IOVKJZMIKXHVNI-ZJUUUORDSA-N 289.276 3.987 30 20 CHED C#CC[C@@H](N[C@@H]1CCCc2scnc21)c1ccccc1 858382076 KJKMYVQQKDONFU-HUUCEWRRSA-N 282.412 3.875 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@H](C)c1ccc(OC)cc1 860200461 VLPFFHGRHKVMHJ-ZDUSSCGKSA-N 289.375 3.672 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)c1cccc(C#N)c1 860441223 MEQAOYSHVNGGRY-NILFDRSVSA-N 281.311 3.559 30 20 CHED C#CCCOc1ccc(CNc2cc(F)cc(C#N)c2)cc1 864044006 QLWRZFMTRHAKFW-UHFFFAOYSA-N 294.329 3.712 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cccc2cc(O)ccc12 865027652 YXOFZTSFMGXOLG-UHFFFAOYSA-N 296.370 3.557 30 20 CHED C=CC(C)(C)CC(=O)Nc1nnc(-c2ccsc2)s1 878709262 JDZYYGBBTRQXEJ-UHFFFAOYSA-N 293.417 3.807 30 20 CHED Cc1ccc(C)c(CSc2cc(C#N)nc(C)n2)c1 881950822 LAUGSNPTWIDRFD-UHFFFAOYSA-N 269.373 3.566 30 20 CHED N#CCCN(Cc1cc(O)cc(Cl)c1)Cc1ccco1 891464621 HRRFJVVFXGSJDU-UHFFFAOYSA-N 290.750 3.554 30 20 CHED CS[C@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)C1 901249251 VUADEJINUCCPBW-NSHDSACASA-N 296.367 3.597 30 20 CHED CC(C)n1cncc1/C=C\C(=O)c1ccc2c(c1)CCCO2 901540006 LUYSVEKBEREHEX-SREVYHEPSA-N 296.370 3.685 30 20 CHED CC[C@H](NCCc1ccc(C)cn1)c1cccc(C#N)c1 903017771 YCRVMQFXGAWQEB-SFHVURJKSA-N 279.387 3.545 30 20 CHED CCCCCCCCCNC(=O)/C=C\c1cccnc1 913037824 RNYNJKKROVLTQF-QXMHVHEDSA-N 274.408 3.962 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(OCC#N)c2)C1(C)C 915740891 QUTOCRDMKQPZLR-HOTGVXAUSA-N 298.386 3.766 30 20 CHED COc1cccc(/C=N\Cc2cccc(OC(C)C)c2)c1O 915981209 OERIDYJRVQVQBB-UNOMPAQXSA-N 299.370 3.807 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 916042965 OQDGECGDISKUNE-CQSZACIVSA-N 295.407 3.928 30 20 CHED Cc1nc(C=NNc2cccc(C(F)(F)F)c2)cs1 916260401 ZOVBMMYIQQVDBM-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C=CCN(Cn1nc(SCC)sc1=S)C(C)C 917481698 VZMOVGWVNPCERS-UHFFFAOYSA-N 289.495 3.640 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2CCc3cc(F)ccc32)c1 920174720 OJWFDNRTWBVZFN-JJLFXSABSA-N 285.318 3.646 30 20 CHED Fc1ccc(NN=C2CCc3c(F)cccc32)c(F)c1 921253222 KVDLBRKQVHKMEX-UHFFFAOYSA-N 276.261 3.866 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1ccc(C(C)(C)O)cc1 924699858 JQCPOFSXKPBWJB-CQSZACIVSA-N 294.398 3.636 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCOc2c(F)cccc21 926242310 QAEXTDBHEHFRNP-SMDDNHRTSA-N 276.355 3.567 30 20 CHED C[C@@H](NCCCCC1(C#N)CCC1)c1cccnc1 930185896 OCJAPWFHSNBBFS-CQSZACIVSA-N 257.381 3.596 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)CC#Cc1ccccc1 1116269592 VMORTWDCWWSUSW-ROUUACIJSA-N 283.415 3.903 30 20 CHED CSc1cc(C(=O)O[C@@H](CC#N)c2ccco2)c(C)o1 1123370284 UCIXLMMWIGVNDA-LBPRGKRZSA-N 291.328 3.715 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(C)nc1Cl 1123431271 XQMKDVSRLRJUQZ-UHFFFAOYSA-N 281.787 3.910 30 20 CHED CC[C@@]1(C)CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 1136968786 UKXOPQXJASTWIX-HKUYNNGSSA-N 298.430 3.798 30 20 CHED N#Cc1cccc(Oc2cccc(-c3ccccn3)c2)n1 1163802011 NUZSXXYEEBWLPC-UHFFFAOYSA-N 273.295 3.808 30 20 CHED C[C@H]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 1164146576 WQKDVSSZUKBRSP-WCQYABFASA-N 257.381 3.851 30 20 CHED CC(C)C[C@H]1COCCN1CCC1(C#N)CCCCC1 1196376155 RUVIJEFSZKJOOQ-INIZCTEOSA-N 278.440 3.597 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)c2ccccc2O1 1205253431 JVKIKMSOWBRZIA-UHFFFAOYSA-N 296.345 3.875 30 20 CHED C#CC(C)(C)NC(=O)c1nc(-c2ccccc2)oc1C(C)C 1251862644 RKHIPZCLGZGKQF-UHFFFAOYSA-N 296.370 3.607 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccc(Cl)c(F)c1 1261360277 GEGLTRYNKIEZLV-ZJUUUORDSA-N 254.736 3.822 30 20 CHED CC(C)(C)ON=Cc1nc2cc(Br)ccc2o1 1261387036 PLEJLLGJGOVOKU-UHFFFAOYSA-N 297.152 3.739 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2cccc(CC#N)n2)C1 1320490136 LGCWQXNESVAIDU-JKSUJKDBSA-N 291.398 3.839 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1320583441 BOXHBTCXNLUMSS-LLVKDONJSA-N 281.758 3.850 30 20 CHED COC(=O)c1cccc(/C=C2/C(=O)c3ccccc3[C@@H]2C)c1 1323541614 VZONMGKGSNOALX-OOIIIRTPSA-N 292.334 3.857 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccnn1C(CC)CC 1336218858 SFPLYMZLNOGNTD-HNNXBMFYSA-N 289.423 3.815 30 20 CHED C=C(C)CCC(=O)N(C)c1ccc(C#N)c(Cl)c1 1337618800 VSQDFIRTOOQBOO-UHFFFAOYSA-N 262.740 3.531 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)/C=C/c1ccc(Cl)cc1 1338328969 OMZLUUBUGCLGLF-RNVIBTMRSA-N 276.767 3.504 30 20 CHED C=C(C)Cn1c(N2CCC[C@@H](CC)C2)nnc1C(C)(F)F 1342484134 QJRYHQWKCAZCAD-GFCCVEGCSA-N 298.381 3.592 30 20 CHED CC[C@H](CC(=O)OCC#Cc1ccccn1)c1ccccc1 1343682642 FIYRDWKUISEGLC-MRXNPFEDSA-N 293.366 3.560 30 20 CHED C=C[C@H](Cc1nnc(-c2cccn2C)o1)c1ccccc1 1345841032 BMMLAAZTZRCSPJ-CYBMUJFWSA-N 279.343 3.587 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccn1C(C)C 1347522143 NOXROODVEWXZQX-AWEZNQCLSA-N 260.381 3.640 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 1353907556 YUZAKAOANRIVMB-IKGGRYGDSA-N 287.378 3.886 30 20 CHED N#Cc1cc(S[C@H]2CCOc3ccccc32)ccn1 1458247008 HUOYLBQCWVQKBP-HNNXBMFYSA-N 268.341 3.569 30 20 CHED N#Cc1ccnc(NC(=O)c2coc3ccc(Cl)cc23)c1 1459108577 NURXASKDZQJATR-UHFFFAOYSA-N 297.701 3.605 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1C(C)(C)C1(C)C 1459548119 QOCMRNXCUMUUHQ-ZDUSSCGKSA-N 298.430 3.535 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(Cl)cc1Cl 1518562578 JHUVOKCLEBZVCJ-SNVBAGLBSA-N 285.174 3.758 30 20 CHED Cc1cc(Cl)c(NC(=O)c2ccc(C#N)o2)cc1C 1522514537 ITXSLXGLTAHUBU-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccc(C)c(C#N)c1 1523401634 HUSJGNPNANWGRF-AWEZNQCLSA-N 272.392 3.813 30 20 CHED C=C(CC)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 1528333111 LJRAUZKKFMEHST-UHFFFAOYSA-N 295.386 3.791 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1C)C1CCCCC1 1529180253 XBRRQXBHWCZZPF-KRWDZBQOSA-N 284.403 3.955 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1F 1529374019 QPKILLCSPKAGLR-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED C[C@@H](CNC(=O)c1cccc(SCC#N)c1)C(C)(C)C 1538096821 VOQIHKQGPBOWJQ-LBPRGKRZSA-N 290.432 3.714 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)cc1F)[C@H](C)c1ccccc1 1539827495 ZINGODHABUFHPF-STQMWFEESA-N 296.345 3.619 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 1543203346 QRECJFDEPQBEIN-XUJVJEKNSA-N 251.370 3.684 30 20 CHED CCCC(CCC)C(=O)Nc1ccc(C#N)cc1C(C)=O 1543531833 KLLPTXGSLPUIKI-UHFFFAOYSA-N 286.375 3.916 30 20 CHED CCCc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 1543579089 MNMWMQQXMWBXDZ-UHFFFAOYSA-N 278.355 3.957 30 20 CHED COC1(CNc2cccc(F)c2C#N)CCC(C)CC1 1559182824 VXGZFMZLCVSDFQ-UHFFFAOYSA-N 276.355 3.705 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc(C(=O)O)cc1Cl 1573348670 ZGTOQYLRFVBWRC-UHFFFAOYSA-N 282.723 3.546 30 20 CHED CCCCCCCNC1(C(=O)O)CCC(CC)CC1 1595704421 MADHHBLQBWRUGP-UHFFFAOYSA-N 269.429 3.970 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccccc1C(=O)O 1605013147 PSJZQBAHNDXLCE-UHFFFAOYSA-N 288.391 3.537 30 20 CHED Cc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)oc1C(=O)O 1610446406 PJHSCMJJZGNDKS-NWDGAFQWSA-N 298.342 3.570 30 20 CHED CCC1(CC)[C@@H](Nc2ccc(CC#N)cc2)C[C@@H]1OC 1621236909 WREWJJUTCFNRCN-HOTGVXAUSA-N 272.392 3.758 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 1639418003 QAUZUQUXMCJGMM-DZGCQCFKSA-N 297.402 3.897 30 20 CHED N#Cc1cnccc1Sc1nc2cccc(F)c2s1 1643099680 RRYSXXACGWJDGO-UHFFFAOYSA-N 287.344 3.853 30 20 CHED Cc1cc(=N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c(C#N)c[nH]1 1651820305 ZMBGROOXDUOAIS-WMLDXEAASA-N 295.361 3.571 30 20 CHED Cc1ccc([C@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1652293652 JNMNSICXLWVHKZ-HNAYVOBHSA-N 294.398 3.593 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)Nc1cc(F)cc(C#N)c1 1673773438 JMUYLVWCFNKOAV-JTQLQIEISA-N 287.294 3.515 30 20 CHED C=CCON=Cc1ccc(-c2cccc(CC(=O)O)c2)cc1 1776060269 MKPMKFLDKKUXAG-UHFFFAOYSA-N 295.338 3.517 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(C(=O)O)c(F)c2)c1 1776127117 IETDZIXQPSNLDF-SOFGYWHQSA-N 284.286 3.728 30 20 CHED C=CCC[C@H](C)N1CC[C@@H]2C[C@@H](CC(=O)O)CC[C@H]2C1 1776166163 OXWPHQLDCQHISP-JONQDZQNSA-N 279.424 3.554 30 20 CHED C=CCc1cccc(CN2CC3(CCC3)CC[C@@H]2C(=O)O)c1 1776187277 DCARPAWGBVWVCB-QGZVFWFLSA-N 299.414 3.634 30 20 CHED N#CCCCSc1nnc(NCc2ccccc2)s1 4997288 VNOIVTRMXMQFQZ-UHFFFAOYSA-N 290.417 3.546 30 20 CHED CCCN(CC#N)Cc1ccc(-c2ccccc2C#N)cc1 103469483 XCANPZJOMXHNNR-UHFFFAOYSA-N 289.382 3.961 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OCC)c(OCC)c1 57157954 MQONSYYIJYDEKD-UHFFFAOYSA-N 291.391 3.522 30 20 CHED Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc(C#N)cs1 178632885 TUJQKTLDGWWISH-UHFFFAOYSA-N 299.399 3.555 30 20 CHED CC[C@](C)(NC(=O)c1cccc(C#N)c1)c1ccccc1 107516207 LAJZDLHYDUJJKY-SFHVURJKSA-N 278.355 3.613 30 20 CHED CC(C)(C)c1ccc(OCCCN(CC#N)C2CC2)cc1 109868817 CIXVBYZXCMRMLG-UHFFFAOYSA-N 286.419 3.741 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H](C)c2ccccc2)c1 103033856 HLMUIXUCMOLYTA-OAHLLOKOSA-N 277.367 3.825 30 20 CHED C#CCCCNC(=O)Nc1ccc(-c2csc(C)n2)cc1 174731197 NMIOQQHMNHSIIH-UHFFFAOYSA-N 299.399 3.653 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1F 69267763 XJBNFACVGCXHGJ-INIZCTEOSA-N 282.318 3.578 30 20 CHED N#Cc1ccc(CNCCCc2ccc(Cl)cc2)o1 174355262 BURFIRQQYUZRJB-UHFFFAOYSA-N 274.751 3.527 30 20 CHED C=CCCCC(=O)N[C@H]1CCCC[C@H]1SCC 175281168 RTVFXFADJGZZHV-QWHCGFSZSA-N 255.427 3.523 30 20 CHED C=CCS[C@H](C)C(=O)Nc1ccc(F)cc1Cl 114756929 XBBPXCFPWFPQOV-MRVPVSSYSA-N 273.760 3.725 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCOc1ccc(C#N)cc1 303709402 PMDADFYJERISSM-UWWQBHOKSA-N 284.403 3.590 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccn1C 66802414 MDEXKDGWGKLNDI-LBPRGKRZSA-N 299.399 3.672 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)NCCCCC#N 178645642 HEOHSCLQLDAELC-MRXNPFEDSA-N 262.372 3.676 30 20 CHED CN(CCc1cccc2ccccc12)c1cccc(C#N)n1 301296873 YCPMBOVEAQBHEG-UHFFFAOYSA-N 287.366 3.785 30 20 CHED CC(C)[C@H](C)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 171408406 ILIRKMORHUPSBA-CQSZACIVSA-N 284.403 3.731 30 20 CHED CC(C)(C#N)CCCSc1nnc(C(C)(C)C)o1 177254031 ORCILPVWLDLUGM-UHFFFAOYSA-N 267.398 3.789 30 20 CHED C=C(C)COC(=O)C1(c2ccccc2Cl)CCOCC1 171524738 KEFMOWFYPLQHCT-UHFFFAOYSA-N 294.778 3.508 30 20 CHED C[C@H](NC(=O)C(C)(C)C#N)c1cc2ccccc2s1 171725035 AXRFHCNUYXJBNG-JTQLQIEISA-N 272.373 3.628 30 20 CHED CC1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC1 176853796 PVHKBQDVWIWDCE-UHFFFAOYSA-N 285.391 3.799 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1OCC 177547350 AEVKDBZQZSVSOB-UHFFFAOYSA-N 251.301 3.519 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H](C)c1ccccc1 179653863 WFEHTUXQCZNKMB-AWEZNQCLSA-N 280.371 3.760 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CCc1ccco1 173041919 SOSDFCVECHXVBD-UHFFFAOYSA-N 297.358 3.544 30 20 CHED N#Cc1ccccc1N(C(=O)C[C@H]1C=CCC1)C1CCC1 1262101190 QBBOWPGGAHGQHX-AWEZNQCLSA-N 280.371 3.800 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](C)c1cc2ccccc2o1 176094119 FSTRGJLPJCHKJY-QWHCGFSZSA-N 284.359 3.544 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)c(O)c1 20126597 CDDOSVIQHUGQMR-CYBMUJFWSA-N 282.343 3.776 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/CCCOC(C)C)cc1 303711678 PMOLBVKIKLCXJP-AWEZNQCLSA-N 291.439 3.742 30 20 CHED CSCCCN(C)c1ccc(Br)cc1C#N 304224633 OPKSIGRFKQRVEO-UHFFFAOYSA-N 299.237 3.510 30 20 CHED COc1cccc(C2CCN(c3ccc(C#N)cc3)CC2)c1 301130701 YFBCATLMZNWIAA-UHFFFAOYSA-N 292.382 3.951 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H]1C[C@H](OCC)C12CCC2 127006671 CNOUFOCULJGWTR-HOTGVXAUSA-N 291.435 3.561 30 20 CHED C=CCC[C@H](CCC)NC[C@H](C)Cn1ccnc1C 178708039 KOPSTGFZYZUJFW-HOCLYGCPSA-N 263.429 3.552 30 20 CHED CCc1ncnc(Nc2ccc(C(C)(C)C#N)cc2)c1F 301910210 GAJZZHLQFKGBIT-UHFFFAOYSA-N 284.338 3.723 30 20 CHED C=C(Cl)CN[C@H](C)c1cccc(Br)c1 38012468 HSEPXASNUPRVCQ-SECBINFHSA-N 274.589 3.852 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1ccc2c(c1)CCCC2 186394628 XKORZHIPSRRKAZ-WEVVVXLNSA-N 281.330 3.996 30 20 CHED Cc1cc(N(C)C)ccc1CNc1cccc(F)c1C#N 301254073 DBBFMFMQVNWFPN-UHFFFAOYSA-N 283.350 3.684 30 20 CHED C=CCC[C@H](C)NC[C@@H](c1ccco1)N(CC)CC 185228180 RUNKTTBGIWHEAR-GJZGRUSLSA-N 264.413 3.607 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H](CC)C2)cc1 78712715 IDBQFYTYRKITIB-CQSZACIVSA-N 273.376 3.514 30 20 CHED C=CCNc1ncc(C(=O)N2CCCC[C@@H]2CCC)s1 186976514 OPTIEZWUSWMCKS-LBPRGKRZSA-N 293.436 3.536 30 20 CHED Cc1cc(C#N)ccc1CN(CCC#N)CCC(C)C 186249168 BEQRSNOEEYGGCA-UHFFFAOYSA-N 269.392 3.628 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 120355278 NEGWEAUNDPHZMO-NSHDSACASA-N 284.746 3.954 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCc1ccccc1 75801591 RNBHCLCSLYJMCW-UHFFFAOYSA-N 294.398 3.627 30 20 CHED CC[C@H](NCc1ccc(OCC#N)cc1)c1cccc(F)c1 188181019 SFMPBQAOKTXOQG-SFHVURJKSA-N 298.361 3.969 30 20 CHED N#Cc1ccc(OCC[C@@H]2CCOC2)c2ccccc12 419056924 SMAQIRIOOGSNRG-ZDUSSCGKSA-N 267.328 3.517 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)CCc1cccc(F)c1 410823502 AIORGJNGMVXXKI-CZUORRHYSA-N 290.382 3.545 30 20 CHED Cc1cccc2[nH]cc(CC(=O)OCC3(C#N)CCCC3)c12 183890046 YYSMMYIYMKPCAQ-UHFFFAOYSA-N 296.370 3.646 30 20 CHED N#CCSCC(=O)Nc1ccccc1-c1cccs1 33163265 DLSSSPSBXKHBMI-UHFFFAOYSA-N 288.397 3.610 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(COC(C)C)c1 181650334 IIKBBQOFWGDKTB-UHFFFAOYSA-N 276.380 3.651 30 20 CHED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCCCC1 36461722 WYELPKQLRBPIFO-UHFFFAOYSA-N 289.378 3.713 30 20 CHED CC(C)(C)[C@@H]1CN(C(=O)c2ccc(C#N)o2)c2ccccc21 508080782 AIWYDMRZDUBLSN-CQSZACIVSA-N 294.354 3.941 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 189353344 AFDCQFZOSNSRRQ-OAHLLOKOSA-N 295.338 3.714 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 185259663 NYYXOJLARUMKAD-CYBMUJFWSA-N 273.376 3.852 30 20 CHED CO[C@](C)(C1CC1)[C@@H](C)NCc1ccc(C#N)cc1Cl 411968423 JPPIMEQMQFCFFD-BZNIZROVSA-N 292.810 3.505 30 20 CHED N#CC1(N(C(=O)Cc2cccc(C3CC3)c2)C2CC2)CCC1 415506452 AWBBAMRODCYEQW-UHFFFAOYSA-N 294.398 3.544 30 20 CHED CCOC1CC(S[C@@H](C)c2ccc(C#N)cc2)C1 419421060 KQAGEOBTPIFLLD-QGLTVNCISA-N 261.390 3.920 30 20 CHED Cc1oc(C)c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1C 41541149 BOZZPVQYQBACIB-GFCCVEGCSA-N 294.310 3.836 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3c(Cl)cccc32)nc1 49321791 UGDDNKAKOIGLFP-CQSZACIVSA-N 269.735 3.706 30 20 CHED Cc1ccc(CNc2ccc(F)cc2OCC#N)cc1F 181543948 RTFRFPYXNKDDJZ-UHFFFAOYSA-N 288.297 3.788 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC1CC1 74819724 AXKONYCPZNDPDW-UHFFFAOYSA-N 298.839 3.899 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2cccc(F)c2C#N)C1 189985592 YUYXENMGPSDEFF-KRWDZBQOSA-N 288.366 3.740 30 20 CHED CC(C)(CCC#N)CN1CCCc2ccc(F)cc21 507852807 RJQOTOKZDZWTFE-UHFFFAOYSA-N 260.356 3.908 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(Br)cc1 49855304 QYWFFLJIPXHRHA-JTQLQIEISA-N 254.171 3.676 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](O)c1ccc2ccccc2c1 188765408 SCZHFPPDBGSTHF-HKUYNNGSSA-N 297.398 3.592 30 20 CHED COc1cc(CNc2ccc(C#N)cc2)ccc1SC 132855857 MWBDZVOETQGLPV-UHFFFAOYSA-N 284.384 3.901 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(F)c(CC)c1 506650569 ZSQHIKFSBCISGR-CYBMUJFWSA-N 292.398 3.613 30 20 CHED C=CCCO[C@H](C)C(=O)N(C(C)C)[C@@H](C)c1ccccc1 410898057 VBMZTJYXEYYYFB-JKSUJKDBSA-N 289.419 3.966 30 20 CHED CCOc1ccccc1[C@@H](C)NCC(C)(C)CC#N 414166375 NNBIDINTUNJZDO-CYBMUJFWSA-N 260.381 3.676 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C)c1 503053195 UOLXPMMBLFAFOG-XJKSGUPXSA-N 288.391 3.952 30 20 CHED O/C(=N/CCOc1ccc(Cl)cn1)[C@@H]1CC12CCCC2 329894287 BEKRPUZCQSYRPX-LBPRGKRZSA-N 294.782 3.651 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccco1 130865564 PLWPNDGXVBGWND-ZHACJKMWSA-N 292.338 3.978 30 20 CHED N#Cc1cc(F)ccc1N1CCc2c(F)ccc(F)c2C1 84488986 PDPMWCLVTQYVOZ-UHFFFAOYSA-N 288.272 3.538 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](C)c1ccc(F)cc1F 130381248 NEOWEVQJEZWXPV-LBPRGKRZSA-N 279.330 3.659 30 20 CHED C=CCC1(C(=O)NC[C@@H](OCC)c2ccccc2)CCC1 194123408 XMHJHXRIJDHXLF-MRXNPFEDSA-N 287.403 3.627 30 20 CHED CCc1ccc2nc(N=C(O)C[C@H]3CCOC3)sc2c1 329802038 YYJVOUPWYUIBIO-LLVKDONJSA-N 290.388 3.873 30 20 CHED C=CCC[C@@H](NC[C@@H](CC)N1CCCC1)c1ccco1 514084607 RAVYVCIOUVLPBE-HZPDHXFCSA-N 276.424 3.751 30 20 CHED N#CCC1(CN2CCC(c3ccccc3)CC2)CC1 602765884 HRSSGQQIQZNAQZ-UHFFFAOYSA-N 254.377 3.560 30 20 CHED CC(C)c1scnc1N/C(O)=N/C[C@@H]1CC1(C)C 329582648 VMPQMAQZKXHSBL-VIFPVBQESA-N 267.398 3.639 30 20 CHED C=CCn1c(C)nnc1SCc1cccc(Cl)c1F 191807646 RKSXPPUVOUSESB-UHFFFAOYSA-N 297.786 3.857 30 20 CHED CCOc1c(Cl)cccc1CN[C@@H](CC)CC#N 426143033 LAZGQLNVGMVRNJ-LBPRGKRZSA-N 266.772 3.521 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NCc2cccs2)cc1 193057367 SVHQIHOTGKDVFX-UHFFFAOYSA-N 299.399 3.871 30 20 CHED N#Cc1c(Cl)nsc1Oc1ccc(F)cc1 92581452 DHNBDYXHGKXMBL-UHFFFAOYSA-N 254.673 3.600 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)c2ccccc21 331744345 YCIOUGXODXQGIR-HZPDHXFCSA-N 293.370 3.501 30 20 CHED CCOc1ccc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)c(C)c1 331305608 WQMAWNCQKATSNK-WCQYABFASA-N 276.380 3.908 30 20 CHED C#CCCCC(=O)Nc1scnc1-c1ccccc1 192245247 FFKYKZBAKPBZCH-UHFFFAOYSA-N 270.357 3.552 30 20 CHED C[C@@H](C#N)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 334831884 IGKHVWVHAWQOCS-SUMWQHHRSA-N 278.355 3.663 30 20 CHED CS[C@H]1CCC[C@H](Nc2ncc3c(c2C#N)CCC3)C1 425240641 YUPFJSFTQKWEND-STQMWFEESA-N 287.432 3.528 30 20 CHED C#CCCCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 192044840 ONJMQTPNVXWIRI-UHFFFAOYSA-N 292.334 3.627 30 20 CHED COc1ccc(Sc2nccc(C#N)c2Cl)cc1 234962638 QETZKRPUXQOHFZ-UHFFFAOYSA-N 276.748 3.766 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCCc2ccccc21 236689618 UTMMCSDGEXIWCK-IBGZPJMESA-N 291.394 3.866 30 20 CHED CCc1cncc(/C(O)=N/CCO[C@@H]2CCCC[C@H]2C)c1 331018371 ZELJJCYMVDDNJJ-CZUORRHYSA-N 290.407 3.544 30 20 CHED C=C[C@@H](C)NC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 94039838 PUNVTAYAGYEGKH-OAHLLOKOSA-N 284.403 3.677 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(CC#N)cc1 330492892 RQROWNWPJGFLNN-BBRMVZONSA-N 284.403 3.697 30 20 CHED N#Cc1c(CN(C2CCC2)C2CCC2)cn2ccccc12 429133364 OCONPHUBCNIUIU-UHFFFAOYSA-N 279.387 3.718 30 20 CHED C[C@@H](CCc1c(F)cccc1F)NCCCCC#N 337997280 QJQKQFANCWNSGX-LBPRGKRZSA-N 266.335 3.569 30 20 CHED CC(C)(C#N)c1nc(-c2ccc(Cl)cc2Cl)no1 335244808 AWRDBQFHDXVUGN-UHFFFAOYSA-N 282.130 3.845 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H]1C(=O)OC(C)(C)C 232497160 KZZWEEXMOLFHRB-AWEZNQCLSA-N 294.439 3.513 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC=CCC1 515869077 SXDRICIAYDBLOD-CQSZACIVSA-N 273.351 3.697 30 20 CHED N#Cc1ccc(-c2nc([C@@H]3CCc4ccccc43)no2)s1 230998065 ZHXSOPNCTHEKEP-CYBMUJFWSA-N 293.351 3.748 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(N2CCCCCC2)c1 334764457 LEUDFTXJJGKXQK-RDTXWAMCSA-N 297.402 3.555 30 20 CHED N#Cc1csc(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)c1 510323417 NAVGBNWZXDUZOX-KBPBESRZSA-N 288.416 3.566 30 20 CHED CCc1ccc(N/C(O)=N/C[C@@H]2CCO[C@@H](C)C2)cc1C 330640105 WPWBWMIZAGBSLX-UONOGXRCSA-N 290.407 3.698 30 20 CHED Cc1cc(C)c(NC(=O)[C@H](C)c2cccc(C#N)c2)c(C)n1 334490518 JAUZJHCRHWXTAP-CYBMUJFWSA-N 293.370 3.621 30 20 CHED Cc1cc(CN(C)C(=O)c2cccc(C#N)c2C)ccc1F 338035692 MVJSMBJNVFBHAE-UHFFFAOYSA-N 296.345 3.586 30 20 CHED CCC(C)(C)[C@H]1CCCN1C(=O)c1cscc1C#N 335158976 MALZDMVIJJLBIN-CYBMUJFWSA-N 276.405 3.661 30 20 CHED C[C@H]1C[C@H](CC(=O)N2CCC(C)(C#N)CC2)CC(C)(C)C1 336561396 LHYAJHZEBFNWBB-LSDHHAIUSA-N 290.451 3.991 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)c1nc2ccccc2[nH]1 339133423 AAVDDHFSUVBQNM-VIFPVBQESA-N 297.749 3.656 30 20 CHED CC(C)CN(C(=O)CCc1ccoc1)c1ccc(C#N)cc1 439771166 ROBFVZRHGHZEKP-UHFFFAOYSA-N 296.370 3.773 30 20 CHED Cc1cscc1NC(=O)Nc1cccc(C#N)c1C 335700915 OXGQOMIUYOHLQA-UHFFFAOYSA-N 271.345 3.881 30 20 CHED O=C(/C=C/c1ccn(-c2ccccc2)n1)c1ccsc1 90988421 XUTFSQRCGDIFKF-VOTSOKGWSA-N 280.352 3.830 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(Cl)cc1Cl 339167671 AYJUFJRITKVDQS-SNVBAGLBSA-N 285.174 3.758 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1ccc(F)cn1 92748332 RYVYMLPUOSFSPR-ZDUSSCGKSA-N 286.350 3.636 30 20 CHED N#Cc1cc(F)c(NC[C@H]2CCc3ccccc32)c(F)c1 521370736 HJYHFVKYTJAAMR-CYBMUJFWSA-N 284.309 3.978 30 20 CHED C[C@@H](C#N)CN(C(=O)c1cc(F)c2ccccc2c1)C1CC1 343683557 WVELWVLWEQKCTJ-LBPRGKRZSA-N 296.345 3.743 30 20 CHED C[C@H](SCc1cccnc1)c1ccc(C#N)cc1 341901871 NQNWHJGOJBOCRN-LBPRGKRZSA-N 254.358 3.948 30 20 CHED C=CCC[C@H](CC)NCCc1ccc(F)c(F)c1 526049465 WNHWPVXOWYFMSX-ZDUSSCGKSA-N 253.336 3.842 30 20 CHED C[C@@H]1CCCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 249428061 JEIYTUQOLKSQKN-HUUCEWRRSA-N 272.392 3.599 30 20 CHED CC(C)(C)N(Cc1ccc(F)cc1)CC1(C#N)CC1 347456347 DWQMIQCILOYIFC-UHFFFAOYSA-N 260.356 3.730 30 20 CHED C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 248744255 CJWMJZVZZYPKJF-RTXFEEFZSA-N 282.368 3.642 30 20 CHED N#CCC[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 247027631 YFOATCNANWGQSY-LEUOFYLZSA-N 296.414 3.974 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CCC#N)cc1Cl 345884615 LPUYOJURFIKTBK-UHFFFAOYSA-N 278.783 3.708 30 20 CHED C=CC1CCN(C(=O)C2(c3cc(C)cc(C)c3)CC2)CC1 521161301 ZBQVAHMOJOTOPV-UHFFFAOYSA-N 283.415 3.760 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1[C@@H]2c3ccccc3C[C@H]21 248228990 QNCJOMGIDLXJGM-KZNAEPCWSA-N 298.430 3.713 30 20 CHED CCCc1csc(CNc2ccc(F)c(C#N)c2)n1 432418345 RHDIAHUSTZBACB-UHFFFAOYSA-N 275.352 3.718 30 20 CHED CCC[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccn1 609199275 AFHGMGGXRKUIKG-MRXNPFEDSA-N 294.358 3.616 30 20 CHED Cc1cccc2c1CCN2Cc1cn2ccccc2c1C#N 604498712 OQXZKGOLBKOJQM-UHFFFAOYSA-N 287.366 3.682 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2cccc(C#N)n2)C1 602474786 RZTFCMCGKLZJPR-SCLBCKFNSA-N 295.361 3.675 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC)c1cc(F)ccc1F 342543387 VYKNQGUQBYQIRL-AWEZNQCLSA-N 282.334 3.633 30 20 CHED C[C@@H](CCC#N)CNC[C@@H]1CCCN1CC1CCCCC1 602535488 OEGSYUHNTNFBHB-WMZOPIPTSA-N 291.483 3.561 30 20 CHED COc1ccc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc1 255614728 YZHLYXSLCKTJJH-FLIBITNWSA-N 298.386 3.986 30 20 CHED C[C@@H](CCC#N)CN1CCCN(Cc2ccccc2)C[C@H]1C 602470856 IYAJFRGSKMMPKD-ZWKOTPCHSA-N 299.462 3.523 30 20 CHED O=C1/C(=C\c2ccccc2[N+](=O)[O-])CCc2c(O)cccc21 255867059 MDYPTIJCENTPNF-BENRWUELSA-N 295.294 3.513 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1cc2ccccc2o1 255334940 INGULVIRHNPVCK-HJWRWDBZSA-N 280.327 3.625 30 20 CHED COc1ccccc1C(C)(C)CNc1ccc(C#N)cc1 604487114 FBMNDBDNUMZSOQ-UHFFFAOYSA-N 280.371 3.957 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(CC1(CC#N)CC1)[C@H]2C 602807259 WLZVHVDHSAHGEW-KBPBESRZSA-N 284.403 3.697 30 20 CHED C=CCCCCCN(C)C(=O)c1ccnc(OC(C)C)c1 347660268 SODVNFNQVPJBAF-UHFFFAOYSA-N 290.407 3.687 30 20 CHED CC[C@@H](NCCCC#N)c1cc(Cl)ccc1OC 346801641 BTAUKSURCDOLQR-CYBMUJFWSA-N 266.772 3.693 30 20 CHED C#CCCCCC(=O)N1CCc2sccc2[C@@H]1CC 179746642 ZSQVOLACOXGUBV-AWEZNQCLSA-N 275.417 3.778 30 20 CHED C[C@H](CCC#N)CNCc1ccc(F)cc1Br 602533109 ZITJASDTUWZTDO-SNVBAGLBSA-N 299.187 3.618 30 20 CHED C=CCCOCc1nc(Cc2ccc(F)c(Cl)c2)no1 528226947 WJSHMKOLTLMAHD-UHFFFAOYSA-N 296.729 3.546 30 20 CHED C[C@H](SCCOC[C@H]1CCCO1)c1cccc(C#N)c1 526948389 CPRUWEFLMYMOEJ-XJKSGUPXSA-N 291.416 3.548 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCc3ccc(C#N)cc32)CC1 522017604 HRZJBWYMMCZCIL-JCNLHEQBSA-N 296.414 3.910 30 20 CHED CC[C@@H](NC[C@]1(C)CCCS1)c1ccc(C#N)cc1 447587068 OIAYRHQAFHGGRV-CVEARBPZSA-N 274.433 3.885 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 602554430 CMSGTXNPVYVELB-YYIAUSFCSA-N 290.451 3.644 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCN(CCC(C)(C)C)CC1 527191020 KFDFTPSCQNWEKE-INIZCTEOSA-N 299.462 3.673 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CCCC1 449592792 ZAAVYDGTNDVTKX-HZPDHXFCSA-N 292.467 3.502 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc2ccc(C)cn12 353416762 QAQXXKWSTRJGRB-UHFFFAOYSA-N 298.434 3.795 30 20 CHED C=CCC1(C(=O)Nc2ccc3nc(N(C)C)oc3c2)CCC1 358831504 PIQOAHDZWUTGKZ-UHFFFAOYSA-N 299.374 3.579 30 20 CHED C=CCCC1(C(=O)N2CCC(C(F)(F)F)CC2)CC1 356216820 KQGNOPZCFGTPQH-UHFFFAOYSA-N 275.314 3.534 30 20 CHED CCCOc1cccc(CCNC[C@H](C)CCC#N)c1 602581715 IOKNJCMHUSXTFR-OAHLLOKOSA-N 274.408 3.547 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)NCc1cc(C#N)ccc1F 449967051 JPCBKZHGXXGNGX-DZGCQCFKSA-N 288.366 3.530 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2ccn(CCC)c2c1 449929653 KCNGXULGIDVVLG-WBVHZDCISA-N 298.386 3.581 30 20 CHED CC[C@@H](NCc1ccc(F)cc1)c1ccc(C#N)cc1 447514279 CPRDASNAFJLSQU-QGZVFWFLSA-N 268.335 3.938 30 20 CHED C=CC1CCN(C(=O)NCc2ccc(C(C)C)cc2)CC1 600858088 HVHPRUOLRUSRIR-UHFFFAOYSA-N 286.419 3.918 30 20 CHED C=CCCC(=O)CSc1c(F)cc(F)cc1F 534976188 NFCFVFQSIRYQSZ-UHFFFAOYSA-N 260.280 3.731 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1 358110981 UFTSCKMDZBDLIW-HNNXBMFYSA-N 294.379 3.776 30 20 CHED C[C@@H]1CCN(Cc2cc(F)ccc2C#N)CC12CCC2 357059812 AXUVYUZGPOHMAC-CYBMUJFWSA-N 272.367 3.709 30 20 CHED N#Cc1ccc(NCc2cccc(-c3ncc[nH]3)c2)cc1 354819159 CUKVLPFOZWQEBR-UHFFFAOYSA-N 274.327 3.560 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)n1C)[C@@H](C)CCC 448803952 GMIGLTXRWYDDAX-AWEZNQCLSA-N 289.423 3.718 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 359442574 UNIDHCFVFAUZRB-LSDHHAIUSA-N 276.424 3.767 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@H]1CCc2ccccc21 448819240 ABSHLZIVBFSNPE-SQNIBIBYSA-N 299.414 3.504 30 20 CHED CC[C@@H](CC#N)NC(=O)CCCC1CCCCC1 183809787 LOIQQLSXPXPTNK-AWEZNQCLSA-N 250.386 3.545 30 20 CHED CCOCCC1(CNc2ncc(C#N)cc2Cl)CCC1 268817343 ISJROBWXWIUPIP-UHFFFAOYSA-N 293.798 3.615 30 20 CHED CCc1ccc2occ(C(=O)N(CC)C[C@@H](C)C#N)c2c1 350020954 XVAIVMMTDSVTQQ-LBPRGKRZSA-N 284.359 3.617 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCOc1ccc(F)cc1 539438225 YQCZXVGNBPSXFK-AWEZNQCLSA-N 293.382 3.846 30 20 CHED C=CC[C@H]1N(CC[C@@H]2CCCO2)CCCC1(C)C 444777660 SXTQHORTHKLPKV-LSDHHAIUSA-N 251.414 3.622 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(OC)c(C#N)c1 534688508 LZIDTEHCASHETN-UHFFFAOYSA-N 294.398 3.631 30 20 CHED C=C[C@H](CC(=O)NCC[C@H](C)CC)c1ccccc1 617638265 KCWXFDZRRYJHKH-HUUCEWRRSA-N 259.393 3.899 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC)c1cccc(Cl)c1F 359416894 JDKKGUFAIHXSGQ-FZMZJTMJSA-N 285.790 3.704 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c(C)o1 613291286 ZRIYRYHOMWMOGB-HNNXBMFYSA-N 290.322 3.935 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2ccccc2C(F)(F)F)C1 442722150 UTRKPPJCWDNAMD-YPMHNXCESA-N 282.309 3.530 30 20 CHED N#Cc1cccnc1NCC1(Cc2ccc(F)cc2)CC1 356796605 QRHKSCWURVVGRQ-UHFFFAOYSA-N 281.334 3.527 30 20 CHED C=CCCC1(C(=O)NCCCCN2CCCC[C@H]2C)CC1 354591717 CHTLHCCJLNLICH-MRXNPFEDSA-N 292.467 3.504 30 20 CHED CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1F 537166636 UDLWBWIPUMHIQS-UHFFFAOYSA-N 288.709 3.627 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2NCC(C)(C)CCC#N 266178707 FLBJGBSUGOGLLG-KRWDZBQOSA-N 286.419 3.992 30 20 CHED CCC(CC)N(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CC1 610530979 KBSNNJKUZGTTGH-CYBMUJFWSA-N 299.418 3.982 30 20 CHED CC(C)(CNC(=O)N1CCC[C@@](C)(C#N)C1)C1CCCC1 612145653 SOUCVXYGFKZBIA-KRWDZBQOSA-N 291.439 3.538 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)c2cn[nH]c12 538352045 OVFBPXSCAVEQOA-GFCCVEGCSA-N 286.379 3.738 30 20 CHED COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCC[C@@H](C#N)C1 459650324 MFXKUYZINIEHNX-RBSFLKMASA-N 272.392 3.737 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccccc1SC(F)F 263657969 ITQDQAUVYQVLLC-SECBINFHSA-N 299.346 3.625 30 20 CHED Cc1ccc(CN=c2c(C#N)c[nH]c3c(C)cccc23)s1 610273200 XDORUDGSPMKAIO-UHFFFAOYSA-N 293.395 3.819 30 20 CHED C=CCCCN(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 452012358 FERUKHFJBRVOGF-WKILWMFISA-N 259.393 3.839 30 20 CHED N#CCCCCN[C@H](c1ccccc1)C1(CO)CCCC1 459531189 NQAVXCLGAHXPGR-QGZVFWFLSA-N 286.419 3.564 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)NCC(C)(C)C#N 458656735 QQFQNGALRCMJHD-AWEZNQCLSA-N 281.444 3.927 30 20 CHED C#CCn1ccc(CN(CC)[C@@H](CC)c2ccc(F)cc2)n1 279775555 TZMKZKXSFWYWRS-SFHVURJKSA-N 299.393 3.629 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2ccc(OC(C)(C)C)cc2)no1 453099013 QETMVOZKAIDVAR-APPDUMDISA-N 297.358 3.715 30 20 CHED CCCC[C@H](CC)CNC(=O)N1CCC[C@](C)(C#N)C1 612098138 DYUNULUYXRLMHN-GOEBONIOSA-N 279.428 3.538 30 20 CHED C=C1CCN(C(=O)c2cc(Cl)ccc2NCC)CC1 276882274 ZVRMXZNVPJJQLE-UHFFFAOYSA-N 278.783 3.564 30 20 CHED CCSc1ccc(-c2noc(C(C)(C)C#N)n2)cc1 278142214 IETJGZXBZGRETK-UHFFFAOYSA-N 273.361 3.650 30 20 CHED C=CCC[C@@H](NC[C@H]1CCCN(CC(C)C)C1)C1CC1 540147721 PWPVSUASAPKXII-SJLPKXTDSA-N 278.484 3.689 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)no1 453173894 ZKKCQOIXXZMDQQ-PIGZYNQJSA-N 281.359 3.835 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCOCC12CCCC2 270659594 QIWOWYNPAXEDGE-UHFFFAOYSA-N 298.430 3.633 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 456063714 JMEFMALNMHCXBM-GXFFZTMASA-N 298.308 3.774 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@H]2C[C@H]2C2CC2)cc1C#N 452683768 OGDQDDBYLFLLSR-GJZGRUSLSA-N 298.386 3.720 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@H](C)C(=O)c1ccccc1 620858465 HKQNDAWHXWOYSS-CQSZACIVSA-N 287.403 3.757 30 20 CHED C[C@H]1CC[C@@H](N(C)C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 456039627 MUOBVTQLCLOEQQ-WMLDXEAASA-N 298.430 3.774 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC(C)(C)C1 543369577 GDNRFRDUCCSSAK-NSHDSACASA-N 290.794 3.720 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC(C)C)cc1 453368568 UPBUJEHIKQVTIQ-QGTPRVQTSA-N 289.419 3.858 30 20 CHED CC[C@H](CNC(=O)N1CCC(CC#N)CC1)c1ccccc1 543822642 ZCTCFGHWLSQDNW-MRXNPFEDSA-N 299.418 3.515 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1NC(C)(C)C 276672003 NWISMDPTAIQACD-CYBMUJFWSA-N 290.407 3.817 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1CSC 455142198 OUWFQTPXKQIGFK-UHFFFAOYSA-N 278.421 3.883 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N2CCc3ccc(C#N)cc32)C[C@H]1C 450260072 ZMWNBRKUBLQRMS-XJKCOSOUSA-N 282.387 3.520 30 20 CHED C=CCN(C)C(=O)NCC1(c2ccccc2)CCCCC1 547628934 DIQVQUTVYOPRKV-UHFFFAOYSA-N 286.419 3.716 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc(C)ccc1CC 622140247 OTHLBFMOYVLVAU-UHFFFAOYSA-N 258.365 3.659 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cc2ccccc2o1 278585331 SLCZPXJOULFZTC-DXCKQFNASA-N 299.370 3.591 30 20 CHED C=CCN(C(=O)c1cnc2c(F)cccc2c1)C(C)(C)C 622945631 LQHNPONUGHWSDA-UHFFFAOYSA-N 286.350 3.801 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)C1CCCCC1 466384463 XJIBHDANAGSHTN-DZGCQCFKSA-N 266.429 3.951 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)cn2)CC1 548052208 DIQJZAOBZLCDLG-GJZGRUSLSA-N 299.418 3.678 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cc([N+](=O)[O-])ccc1C 545979138 KZHPXARJFLRGJL-CHWSQXEVSA-N 262.353 3.909 30 20 CHED C=CCC[C@H](C)Nc1ccc(COCCOC)cc1 624231645 FUFGOVRBKAODLW-AWEZNQCLSA-N 263.381 3.616 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@@H](C)C1 541598562 WHHWOWHGLZLEIU-NEPJUHHUSA-N 290.794 3.720 30 20 CHED C=CCOc1ccc(CN(CC)C[C@@H](C)OC)cc1Cl 462833852 QQOMAKNEVSYKMU-CYBMUJFWSA-N 297.826 3.762 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](C#N)C(C)(C)C 464710698 LJOPLSHJOHYGAU-HZPDHXFCSA-N 286.419 3.556 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C(=O)CC)cc1 628693544 HYMQWWRZJQAISD-UHFFFAOYSA-N 259.349 3.820 30 20 CHED Cc1csc(NC(=O)[C@@H]2CCCc3ccccc32)c1C#N 288864471 QEXRJHHFKZNJAM-CQSZACIVSA-N 296.395 3.987 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)CC(C)(C)C#N)C1 286428995 RPUWCMCNQGVPEC-ZFWWWQNUSA-N 270.376 3.536 30 20 CHED C=CC[C@@H](C(=O)Nc1nc(C2CC2)c[nH]1)c1ccccc1 289429997 SUYQJQOMRLUAOG-CQSZACIVSA-N 281.359 3.586 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](CC)C1CCC(C)CC1 461674292 WTWMLDFVNYSEEG-SHWKFHJASA-N 251.414 3.920 30 20 CHED CC[C@@H]1Cc2ccccc2CN1Cc1ccc(C#N)s1 468679959 MAUUNWHRGPIOKN-OAHLLOKOSA-N 282.412 3.957 30 20 CHED Cc1ccc(O[C@@H](C)CNc2cccc(F)c2C#N)cc1 463073211 HUGUYRJZYRDXHB-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED CCCC[C@@H](C)C(=O)Nc1ncccc1OCCCC#N 282328441 YWLJAMMQHSOOHN-CYBMUJFWSA-N 289.379 3.529 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(-c2csc(C)n2)s1 632325476 VKPNHBVORFLTEI-UHFFFAOYSA-N 292.429 3.828 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(C)(C)[C@H]1C1CC1 460662650 OWHJSTQJBVQJQN-TZMCWYRMSA-N 264.413 3.561 30 20 CHED C#CC[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 283463091 JDRFTPINKHQOEX-LSDHHAIUSA-N 291.341 3.693 30 20 CHED C=CCCc1ccccc1NCc1snnc1C 639152354 AATIMPIRZPTSAG-UHFFFAOYSA-N 259.378 3.577 30 20 CHED C[C@H](CCc1ccccc1F)C(=O)Nc1cccc(C#N)c1 463241913 ISVDCANAGWYCJM-CYBMUJFWSA-N 296.345 3.905 30 20 CHED CC1(C)CCC(C(=O)N[C@@](C)(C#N)C(C)(C)C)CC1 464167593 HYKSCECTDYUZCW-INIZCTEOSA-N 264.413 3.647 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 462188500 IOMSBEDGMMWQLL-BDXSIMOUSA-N 296.414 3.721 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H](CC)CC1 474079867 LMZGQTWVGZWOHI-AWEZNQCLSA-N 252.402 3.564 30 20 CHED C=C[C@@H](C)NC(=O)c1sc(-c2ccccc2C)nc1C 476649674 VJBAMUKWJCGDGS-LLVKDONJSA-N 286.400 3.731 30 20 CHED N#CCCCCCC(=O)Nc1cccc(-c2cnco2)c1 806533284 PGKGCWKSTOVXDG-UHFFFAOYSA-N 283.331 3.754 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@@H]2C=CCC2)CCCC1(C)C 470288629 UBUAFTJNKFFILN-CABCVRRESA-N 261.409 3.936 30 20 CHED C#CCCCC(=O)Nc1cc(-c2cncc(F)c2)ccc1C 801094724 VPABVVCXZIKDKX-UHFFFAOYSA-N 296.345 3.938 30 20 CHED C[C@H]1CCCN(C(=O)CCCC#N)c2ccccc21 291717357 LQMGGYBQIOSEQX-ZDUSSCGKSA-N 256.349 3.611 30 20 CHED C=CCN(C(=O)CCOc1ccccc1F)c1ccccc1 641896944 UEFXEODPZNKMPI-UHFFFAOYSA-N 299.345 3.814 30 20 CHED C=CCCCCNC(=O)c1cc(C(CC)CC)no1 471689067 QPZDLSSELKAGAP-UHFFFAOYSA-N 264.369 3.664 30 20 CHED N#CCc1ccc(CSc2ncnc3ccccc23)cc1 399255949 ZWUMNCADIKLSSK-UHFFFAOYSA-N 291.379 3.988 30 20 CHED C=CC(C)(C)C(=O)Nc1cc2c(cc1Cl)OCCCO2 294587821 YIZDCRXPBFWLQE-UHFFFAOYSA-N 295.766 3.652 30 20 CHED COc1ccc(C#N)cc1CN(C#N)c1cccc(Cl)c1 478741360 VFKCIPQDUBFGOZ-UHFFFAOYSA-N 297.745 3.708 30 20 CHED CCc1nnc([C@H](C)Sc2ccc(C#N)c(C)c2)o1 563128444 PEIJSMRQCMZVTL-JTQLQIEISA-N 273.361 3.665 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@@H]1CF)c1ccccc1 296633030 ZAUCBIMHWRHKJV-CVEARBPZSA-N 290.382 3.837 30 20 CHED C=CCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1C 805218930 PQUPOHMNLXKOKN-UHFFFAOYSA-N 290.363 3.770 30 20 CHED C=CCCCCSCC(=O)NCc1sccc1C 562824089 HRXAIZIOCSRJRO-UHFFFAOYSA-N 283.462 3.762 30 20 CHED N#Cc1c(N[C@@H]2CC[C@H](F)C2)cccc1C(F)F 567915476 TWMYLHDTMWBNND-DTWKUNHWSA-N 254.255 3.798 30 20 CHED C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(C#N)cc1 297177777 KCYWASMSNFTDHM-UGSOOPFHSA-N 294.354 3.637 30 20 CHED C=CCCCCCN[C@H]1CCC(=O)Nc2ccccc21 569472392 PCGIFFPNGQOBJE-HNNXBMFYSA-N 272.392 3.796 30 20 CHED N#Cc1cccnc1/C=C/c1cc(F)cc(Cl)c1 486104617 QFYSWXNCVYAALA-ONEGZZNKSA-N 258.683 3.916 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCc2c(C)cccc21 642703554 KASJLPPVFSHVGO-UHFFFAOYSA-N 294.402 3.734 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1cccc(C)c1 486870011 RYCFVUZIHCQHHV-UHFFFAOYSA-N 284.359 3.851 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1ccc(Cl)c(N)c1 814938277 YQGCZMFDMPNDKD-SNVBAGLBSA-N 267.804 3.670 30 20 CHED C[C@H](NN=Cc1ccccc1C1CC1)c1ccncc1 819816845 QDGPLDSNMYDYDD-ZDUSSCGKSA-N 265.360 3.644 30 20 CHED C=C(C)[C@H](NCc1snnc1C)c1ccc(F)c(F)c1 569697929 YOSOHEHDTMCCKL-AWEZNQCLSA-N 295.358 3.532 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1cccc(Cl)c1 812441658 DTOURFUJBFDJKJ-UHFFFAOYSA-N 288.734 3.874 30 20 CHED CC(C)C[C@](C)(NCC#N)c1cccc(Br)c1 483043468 AJMWGAGVAVDNFQ-AWEZNQCLSA-N 295.224 3.824 30 20 CHED C(=NNc1ccccc1)c1cn[nH]c1-c1cccs1 812371294 PJMNSXRYRZDVJB-UHFFFAOYSA-N 268.345 3.584 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccnc(Cl)c1C 810295204 ITVKDJOWVGAYAY-LLVKDONJSA-N 279.771 3.616 30 20 CHED C=CCCOC(=O)[C@H](C)c1cccc(Br)c1 812608342 KUCCYGWLNJFKTI-SNVBAGLBSA-N 283.165 3.672 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@]1(C)Cc1ccccc1 816140510 WOCCZFKPAOLXBR-MRXNPFEDSA-N 293.357 3.822 30 20 CHED C=CCCCCCSCc1cccc(C(N)=O)c1 485601631 SADNHMPIKOBKGR-UHFFFAOYSA-N 263.406 3.765 30 20 CHED Fc1cccc(NN=Cc2cccc3cc[nH]c23)c1 814814891 DJNXWZMENXTAQZ-UHFFFAOYSA-N 253.280 3.753 30 20 CHED C#C[C@H](N[C@H]1CCC[C@H](OC)C1)c1ccc(Cl)cc1 811517510 UQWCWSLQLQSNJA-JYJNAYRXSA-N 277.795 3.562 30 20 CHED CC(C)[C@H]1CCCC(=NNC[C@H]2CCSC2)C1 811658362 JGRONSCLKUKTOE-OLZOCXBDSA-N 254.443 3.531 30 20 CHED COc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc1C 811695087 XDQOUFAHOSYBOU-PXNMLYILSA-N 289.334 3.698 30 20 CHED CC(=NOCCC1CC1)c1ccccc1OC(F)F 814246002 REXKOYOBFVCZCZ-UHFFFAOYSA-N 269.291 3.829 30 20 CHED CC1(C)OCCC1=NNc1nc(-c2ccccc2)cs1 814769467 PUAMFIYXLFINBZ-UHFFFAOYSA-N 287.388 3.777 30 20 CHED C=CCC(F)(F)C(=O)OCc1cccc(F)c1Cl 815312344 SWOBWONOLYMRCO-UHFFFAOYSA-N 278.657 3.734 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1cccc(F)c1F 811694403 SERFIXWIFZAOPO-FPLPWBNLSA-N 287.240 3.872 30 20 CHED C1=C([C@H]2CCCCC2=NNc2cncnc2)CCCC1 814926794 KCZKHIXBJWWVRY-OAHLLOKOSA-N 270.380 3.935 30 20 CHED C=CCCCS(=O)(=O)N(CC)[C@H](C)c1ccc(F)cc1 489094173 ASCFRIDXLZBOOK-CYBMUJFWSA-N 299.411 3.505 30 20 CHED CC(C)C#CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 825585389 UIKBWPHQPMCLMT-UHFFFAOYSA-N 289.423 3.534 30 20 CHED CC#CCCNC(=O)c1cccc(Oc2ccccc2)c1 498610262 LIQSQSUFUIZVRS-UHFFFAOYSA-N 279.339 3.622 30 20 CHED C=CCCCCSc1nnc(-c2cccs2)n1C 573295105 YMQWJNQRHJUUQP-UHFFFAOYSA-N 279.434 3.992 30 20 CHED CCCn1ccc2cc(NC(=O)C#CC(C)C)ccc21 824912804 ACLAAVHXSMIMSG-UHFFFAOYSA-N 268.360 3.649 30 20 CHED C#Cc1cccc(NC(=S)NC[C@H]2CCCC[C@H]2C)c1 726478336 FHMOMWCDUODOBY-UKRRQHHQSA-N 286.444 3.781 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC[C@H]2C[C@H]3CC[C@H]2C3)cc1 728711474 ARKVIVVDFMIVFE-DKIMLUQUSA-N 298.430 3.893 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccc3oncc3c2)c1 821037866 DOWQDNDYXLFHCM-GQCTYLIASA-N 274.279 3.596 30 20 CHED CO[C@@H]1CCOc2c(NCc3cccc(C#N)c3)cccc21 580991383 KCVNKJKCNAQWCZ-QGZVFWFLSA-N 294.354 3.640 30 20 CHED CCCCCCCCCN(C)C[C@H]1CCNC(=O)CC1 827484065 OMWULXSJLUQZIU-MRXNPFEDSA-N 282.472 3.585 30 20 CHED C=CCCC(=O)OCCOc1ccc(Cl)cc1Cl 726650193 AOVKXIKWGSGQCN-UHFFFAOYSA-N 289.158 3.882 30 20 CHED CCC(F)(F)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 824567319 RMYRPQAEZRQVKI-UHFFFAOYSA-N 294.345 3.588 30 20 CHED CCN(C(=O)/C=C\c1ccc[nH]1)[C@H](C)c1ccc(C#N)cc1 492017040 QKYMMBXMKUIMKS-IWMPZKFUSA-N 293.370 3.509 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1CC(C)(C)C1 584466145 WIEAVHBQUYUALM-CYBMUJFWSA-N 299.418 3.697 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)CCCCCC#N 588150454 UFLGILXKVOJIIL-KBPBESRZSA-N 250.386 3.545 30 20 CHED Cc1cccc(C)c1COC(=O)/C=C/c1ccccc1C#N 738605507 SUWOTCAXNCFSIT-ZHACJKMWSA-N 291.350 3.932 30 20 CHED COc1ccc2[nH]cc(C=NN[C@H](C)c3ccccc3)c2c1 730145871 UHMIWJMBGIKSNL-CYBMUJFWSA-N 293.370 3.861 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2C[C@H]2c2cccnc2)CCC1 909382237 ZLUWVLKNYIFNSP-JKSUJKDBSA-N 298.386 3.592 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCCCCC#N 588327591 KSKFBSHFWMZHCB-UHFFFAOYSA-N 284.403 3.718 30 20 CHED O=C(C#CC1CC1)N1CCCCC[C@@H]1c1ccccc1 837355486 WAQLCTNAKZDKOT-QGZVFWFLSA-N 267.372 3.544 30 20 CHED CCCCCCCCC(=O)NC[C@](C)(O)c1ccccc1 734017412 KYVALUMQXFMQHZ-SFHVURJKSA-N 291.435 3.761 30 20 CHED CCOc1ccccc1C=NNc1cc(F)c(F)cc1F 734302349 AYSWRTQLTJCNEC-UHFFFAOYSA-N 294.276 3.949 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)CSC1CC1 839434752 DPLVYZILWKOALV-UHFFFAOYSA-N 282.368 3.546 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@]1(C)CC1(Cl)Cl 830696279 DIBQGKMMVAAYTO-CMPLNLGQSA-N 276.207 3.528 30 20 CHED CC(C)(C)C#CC(=O)N1CCCCC[C@H]1c1ccco1 837430625 YKYYDOWOCHHGBR-AWEZNQCLSA-N 273.376 3.773 30 20 CHED Oc1ccccc1C=Nc1ccc(OCC2CC2)cc1 733081104 NHROEURWZHVMFD-UHFFFAOYSA-N 267.328 3.932 30 20 CHED Cc1ccc(CCOC(=O)[C@]2(C#N)CC23CCCC3)cc1 837906705 RIMRFTFIVOBBJR-GOSISDBHSA-N 283.371 3.555 30 20 CHED C=CCC(C)(C)COC(=O)c1cccc(Cn2ccnc2)c1 835463043 OLZTWCNLLVPANN-UHFFFAOYSA-N 298.386 3.691 30 20 CHED CCC(COC)=NNc1ccnc2cc(Cl)ccc12 735971352 ZYMZHJHQJOLQQI-UHFFFAOYSA-N 277.755 3.713 30 20 CHED C[C@@H](CC(=O)O[C@H](C)C#N)c1cccc(C(F)(F)F)c1 738740309 FQTZVYGVSSPLTO-VHSXEESVSA-N 285.265 3.654 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2nncc3ccccc23)o1 732762446 YOHLVMUERIOZQX-ABAIWWIYSA-N 292.342 3.792 30 20 CHED Cc1ccc(NN=Cc2cnc(-c3ccccc3)nc2)cc1 917531155 XORXZISCZWIFSL-UHFFFAOYSA-N 288.354 3.898 30 20 CHED C=C(Br)COC(=O)c1cc2cc(C)ccc2[nH]1 918943287 IZUUELYLDNRXAK-UHFFFAOYSA-N 294.148 3.542 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C2CCC2)C1 591336980 VVKQHAUUWAOZSG-OAHLLOKOSA-N 283.375 3.521 30 20 CHED N#CC[C@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 596332140 WLOXUBXFXZKQBF-LLVKDONJSA-N 293.292 3.707 30 20 CHED CC(C)[C@H]1N(c2nc(C#N)c(Cl)s2)CC12CCC2 596237948 KRBSKNZMKJPMFQ-SNVBAGLBSA-N 281.812 3.683 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 743620316 HXDWVYDMSRXCBW-OAHLLOKOSA-N 294.826 3.710 30 20 CHED C=CCc1cc(OCC)cc(CN2C[C@@H](C)C[C@H]2C)c1O 740861065 UJKNUFABAVTXAE-UONOGXRCSA-N 289.419 3.750 30 20 CHED CCCCCCCCCC(=O)N1CCOCC12CCC2 749033947 XRMWIJYKSQLIKY-UHFFFAOYSA-N 281.440 3.909 30 20 CHED C=C(Cl)CN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 743855759 YIVQYKYKUJMWTM-CYBMUJFWSA-N 299.245 3.771 30 20 CHED CCOc1ccc(/C=N\Cc2cccc(C)c2)c(O)c1 912787494 YDNYWGUPFDVLQR-PDGQHHTCSA-N 269.344 3.718 30 20 CHED N#Cc1nc(Nc2ccc(N3CCCC3)cc2)ccc1Cl 749257826 ODLSGVIZVGRTCY-UHFFFAOYSA-N 298.777 3.950 30 20 CHED CCN(CC)c1ncc(C=NNc2ccc(F)cc2)s1 916268143 MDTQLCRUQLAKCY-UHFFFAOYSA-N 292.383 3.574 30 20 CHED C=C(CC)CNC(=S)Nc1cc(Cl)ccc1OC 840826569 OIWASVKQRIFNLY-UHFFFAOYSA-N 284.812 3.601 30 20 CHED FC(F)Oc1ccc(NN=CC2CCCC2)cc1 741839688 NJGVWPGBFNWMHO-UHFFFAOYSA-N 254.280 3.876 30 20 CHED COCc1cccc(C=NNc2cc(F)c(F)cc2F)c1 743440271 GSMXDUJMEVCHLN-UHFFFAOYSA-N 294.276 3.696 30 20 CHED C#CCCCCNC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 842180086 JGRAGMMZBJLDNN-GJZGRUSLSA-N 278.440 3.646 30 20 CHED C=C(CNc1ncnc2c(F)cccc12)c1ccccc1 673461747 RYPRHZFWCYYLAT-UHFFFAOYSA-N 279.318 3.894 30 20 CHED C[C@H]1CCCN1Cc1cccc(-c2ccc(C#N)nc2)c1 592987331 YGNGGRTYMZFTMM-AWEZNQCLSA-N 277.371 3.605 30 20 CHED CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)c1ccsc1 749098722 GVDOPDNBFNCWTA-ZWNOBZJWSA-N 295.477 3.515 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1O 841762124 LYQQQNUHPKZALO-UGSOOPFHSA-N 292.382 3.992 30 20 CHED CC(=NNCc1ccccc1)c1ccc(OC(C)C)cc1 916344355 SKZJPNKIKQURLC-UHFFFAOYSA-N 282.387 3.988 30 20 CHED CC(C)Cn1nccc1/C=C1\C(=O)c2ccccc2[C@H]1C 843268723 MNVIZYAHSACXBE-OMJMQIJPSA-N 280.371 3.923 30 20 CHED Cc1ccc(SCC(=O)[C@@H](C#N)c2ccccn2)c(C)c1 916881515 BKAUIKFWVOFSLE-AWEZNQCLSA-N 296.395 3.667 30 20 CHED C[C@H](OC(=O)CC[C@H]1CC[C@@H](C)O1)c1cccc(C#N)c1 744102242 QLKKWBVJFKOLSS-DVOMOZLQSA-N 287.359 3.510 30 20 CHED C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)CC1(C)C 596192846 WAQSZCPSTQXICJ-MRVPVSSYSA-N 269.801 3.541 30 20 CHED CC1(C)C(=NNc2cccc(Cl)c2)[C@H]2CCCO[C@H]21 743420306 BVNQELAHOXZWOU-TZMCWYRMSA-N 278.783 3.943 30 20 CHED CC(C)CCOc1ccc(NC(=O)C#CC2CC2)cc1F 848347041 KPHKIWASYIQIFZ-UHFFFAOYSA-N 289.350 3.603 30 20 CHED CSc1cc(F)ccc1NCC1(CC#N)CC1 594704139 CCVKDSXRXQVOLG-UHFFFAOYSA-N 250.342 3.653 30 20 CHED CC(C)(C)c1nc(CSc2cccnc2C#N)co1 917810131 MXIPZYYDSFYLOK-UHFFFAOYSA-N 273.361 3.531 30 20 CHED C[C@H](NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 599614029 PRCNDMAEPGPZNF-RASHJEQFSA-N 282.387 3.562 30 20 CHED C=CCC(F)(F)C(=O)OCc1cccc(OC)c1Cl 849784986 BXNPSAICMOEJMM-UHFFFAOYSA-N 290.693 3.603 30 20 CHED CC#CCCCC(=O)N(CCC)Cc1ccccc1F 680996649 JBBMKISULUOHEK-UHFFFAOYSA-N 275.367 3.758 30 20 CHED CC[C@H](CC(F)F)Cn1cc(C#N)c2ccccc2c1=O 596314788 QHFPRHCTOHJLFU-LLVKDONJSA-N 290.313 3.555 30 20 CHED CCc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1O 848908209 ZDIGYGRUOSXWIQ-SFHVURJKSA-N 292.382 3.603 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)c1coc2ccccc12 747753903 WRQXMQNMYVVIIT-UHFFFAOYSA-N 296.286 3.572 30 20 CHED CCN(CCCC#N)c1cccc(C(F)(F)F)c1 595548568 WRAURKYATUXLNN-UHFFFAOYSA-N 256.271 3.835 30 20 CHED C[C@@H](CN=c1ccc2cc(C#N)ccc2[nH]1)CC(F)(F)F 591193762 VVCPXIWBLFPBCF-SNVBAGLBSA-N 293.292 3.529 30 20 CHED CCc1ccc(/C=C2/Oc3ccccc3C2=O)s1 742435704 CNONQUTZPYSJHN-NTEUORMPSA-N 256.326 3.927 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cc(C)oc1C 920386174 SRZACYRNCXHIQN-GFCCVEGCSA-N 256.349 3.971 30 20 CHED COCCON=Cc1cc(C)n(C2CCCCC2)c1C 748789540 SXNHBBXYJDDADK-UHFFFAOYSA-N 278.396 3.607 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H](C)CC(C)(C)C#N 925680966 LROJNJHDPRCJOK-WWGRRREGSA-N 292.398 3.820 30 20 CHED N#C[C@@H](OC(=O)c1cccc(Nc2ccccc2)c1)C1CC1 751175660 DKJLLBKRAUUESL-QGZVFWFLSA-N 292.338 3.889 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)c1cc(C#N)ccc1F 854749536 HVBVIXOAHLCEIX-GFCCVEGCSA-N 274.339 3.562 30 20 CHED CCCC1(C(=O)[C@H](C#N)c2nc3ccccc3n2C)CCC1 759532865 VAQMIPGLMBAAPD-ZDUSSCGKSA-N 295.386 3.720 30 20 CHED CC(CC1CCC1)=NNC(=S)Nc1ccccc1F 758360858 IDWNRRRIHKZSTB-UHFFFAOYSA-N 279.384 3.678 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cnc3c(C)cccn23)c1 757468605 SKHOKMPDMOVEMD-SOFGYWHQSA-N 292.338 3.553 30 20 CHED CCC(=NOCC(F)F)c1ccc(Cl)s1 758911361 NGZFKZZNRRFALL-UHFFFAOYSA-N 253.701 3.797 30 20 CHED CCOCCC1(CN[C@H](C)CC(C)(C)C#N)CCCC1 925271320 GHEZSFQUFFIXAL-OAHLLOKOSA-N 280.456 3.891 30 20 CHED C=CCC[C@H](OC(=O)c1cnc2n1CCCCC2)C1CC1 857015110 RSUKMSOFUVUWIK-HNNXBMFYSA-N 288.391 3.511 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 921566365 UFOHOIZEUWLPOU-CABCVRRESA-N 260.406 3.839 30 20 CHED Cc1ccc(NN=Cc2cnc([C@H]3CCCO3)s2)cc1 755465988 RUGZXSYPMYGMNR-CQSZACIVSA-N 287.388 3.749 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1c(C)noc1C)C2=O 752889994 PVFQIFPFOKEGAD-AUWJEWJLSA-N 271.341 3.929 30 20 CHED COc1cc(C=NOCC2CC=CC2)ccc1OC(F)F 853639443 MDJUBNZQZKHPQE-UHFFFAOYSA-N 297.301 3.613 30 20 CHED N#C[C@H](C(=O)C1CCC2(CC1)CC2)c1nc2ccccc2[nH]1 850739164 SYOLAFFYQIBDDQ-CYBMUJFWSA-N 293.370 3.710 30 20 CHED Clc1ccc(C=NO[C@H]2CCCCO2)c2ncccc12 755821074 ARBZXHKOWBOYOR-AWEZNQCLSA-N 290.750 3.765 30 20 CHED Cc1ccccc1CCCOC(=O)c1cccc(CC#N)c1 753448208 ASFBWHHNOWPGST-UHFFFAOYSA-N 293.366 3.851 30 20 CHED CC[C@@H](C#N)OC(=O)CCc1ccc(-c2ccccc2)o1 753416268 PEMXMPFITHOIFH-AWEZNQCLSA-N 283.327 3.725 30 20 CHED C=CC(C)(C)CCOC(=O)c1cccc(C(F)(F)F)n1 851300259 OTHHXXJPRKBGOB-UHFFFAOYSA-N 287.281 3.860 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(F)cc2N(C)C)c1 759610946 MZWWLCANRTVZCA-JXMROGBWSA-N 299.345 3.796 30 20 CHED Fc1cc(Br)cc(CON=CC2CC2)c1F 853736242 RZGLYWIGQQBZMX-UHFFFAOYSA-N 290.107 3.640 30 20 CHED CC[C@@H]1CC(=NNc2nc(C(F)(F)F)cs2)CCO1 756826961 HEFATAKUEDLIRA-MRVPVSSYSA-N 293.314 3.519 30 20 CHED CC(=NOCC(F)F)c1ccc(Cl)c(Cl)c1 758900202 RORUOOXHBRPELT-UHFFFAOYSA-N 268.090 3.999 30 20 CHED C=C(C)CN1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 931803379 WTTGVTNGVCYAIZ-INIZCTEOSA-N 287.794 3.587 30 20 CHED C#CC[C@H](NC(=O)N[C@@H]1CCC(C)(C)C1)c1ccccc1 768741665 PYQMLCNOQIZIAP-CVEARBPZSA-N 284.403 3.629 30 20 CHED CC#CCCOC(=O)c1sc(Cc2ccccc2)nc1C 760282908 FUTNAGXTTWXJOU-UHFFFAOYSA-N 299.395 3.613 30 20 CHED C#C[C@@H](OC(=O)CCC(C)(F)F)c1ccc(C)cc1 860965598 NIRBRXFRZPABST-CYBMUJFWSA-N 266.287 3.648 30 20 CHED O=C1/C(=C\c2cncs2)Cc2ccc(Cl)cc21 762446538 JIYCZLRNWIOBJW-WTKPLQERSA-N 261.733 3.619 30 20 CHED C#CCC(C)(C)C(=O)NC[C@H](CCC)CCCC 767091700 LJXGLEHTGMOKRV-CQSZACIVSA-N 251.414 3.759 30 20 CHED C#C[C@H](C)N(C)Cc1nc(C2CCCCC2)cs1 769975916 OJPZBHALDFHAPZ-LBPRGKRZSA-N 262.422 3.644 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc2c(c1)COC2 768551755 TUFKXKLUKWHECZ-UHFFFAOYSA-N 279.383 3.905 30 20 CHED CCCCCCCCCCNC(=O)N[C@H]1CCO[C@H](C)C1 769719158 DTLVVOMFHIZKBV-CVEARBPZSA-N 298.471 3.994 30 20 CHED CSc1ccc(/C=C\C(=O)O[C@@H](C)C(C)(C)C#N)s1 860623505 LZBIRHRBOTVDET-BXKUYDPTSA-N 295.429 3.965 30 20 CHED CCCCCCCCOC(=O)C1(C#N)CC(C)C1 767424833 LXJGFVJMDZKGIH-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(OC(C)(C)C)c1 934049113 FQWDXBAWROJOEN-LBPRGKRZSA-N 289.379 3.678 30 20 CHED C=CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 766021524 UJYJFOHTFDRMDN-DYVFJYSZSA-N 297.358 3.958 30 20 CHED O=C1/C(=C\c2cscc2Cl)CCc2nc(O)ccc21 769608643 DXXDOUITXAPQCR-YVMONPNESA-N 291.759 3.715 30 20 CHED O=[N+]([O-])c1cc(C=NNc2c(F)cccc2Cl)cs1 769826956 LKRQTYZGKMMGHF-UHFFFAOYSA-N 299.714 3.895 30 20 CHED C[C@H]1CCCC[C@@H]1OCC(=O)OCCCCC(C)(C)C#N 768698258 OQBKILMVHOKFMW-GJZGRUSLSA-N 295.423 3.845 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1Cl)c1cncc(F)c1 761481066 VKQVMWUUMVXNIB-HNQUOIGGSA-N 297.116 3.819 30 20 CHED Cc1ccc(-c2cc(C(=O)OCC3(C#N)CCC3)on2)cc1 768104267 ATGFZEHMXLWUET-UHFFFAOYSA-N 296.326 3.501 30 20 CHED C(=NNc1ncnc2ccsc12)C1CCCCC1 764840983 NSTCUIZFGPFXSL-UHFFFAOYSA-N 260.366 3.669 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)ccc1C#N 766492447 YDZMJDRXQZSJDH-CLTKARDFSA-N 289.334 3.793 30 20 CHED CCCCCCCCNC(=O)C=C1CCSCC1 771702738 CDBPHNMRRAKZQL-UHFFFAOYSA-N 269.454 3.917 30 20 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CHED Cc1c(C(=O)OCC2(C#N)CC2)oc2ccc(Cl)cc12 775830414 FAYJGKVBDFOTLV-UHFFFAOYSA-N 289.718 3.855 30 20 CHED Cc1ccncc1[C@@H](C)Nc1snc(Cl)c1C#N 771278175 RNBFHAZSIFRINN-MRVPVSSYSA-N 278.768 3.545 30 20 CHED C=CCNc1nnc(SCc2ccc(CF)cc2)s1 777532331 SFPKANJIEIFOEP-UHFFFAOYSA-N 295.408 3.898 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(F)cc1C 771314277 BGOBSXXZERDSBC-UHFFFAOYSA-N 299.320 3.549 30 20 CHED COc1cccc(NN=Cc2ccc(Cl)cc2Cl)n1 779816507 GFVZRAKFHYHTCZ-UHFFFAOYSA-N 296.157 3.843 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ccc(Cl)nn1 773189199 XGMPWTWENJJLPI-GHMZBOCLSA-N 264.760 3.520 30 20 CHED CCCCC[C@@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 777409312 XEWLTEBGBNLXMS-LLVKDONJSA-N 278.783 3.910 30 20 CHED CCCCCCCN[C@@H]1CC[C@H]2SCCS[C@@H]12 776747471 YNYCTNIWMLOCCK-MCIONIFRSA-N 273.511 3.926 30 20 CHED C=CC[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1C)c1ccccc1 779377924 QQNROYQTRHRNBH-OAHLLOKOSA-N 295.386 3.894 30 20 CHED CC[C@H](NC(=O)Cc1ccccc1CC#N)c1ccccc1 776797169 JXDVUQMKHKUJFY-SFHVURJKSA-N 292.382 3.563 30 20 CHED CC(C)c1nccnc1NN=Cc1c(F)cccc1Cl 773092083 YMTOGAZAFKHQND-UHFFFAOYSA-N 292.745 3.839 30 20 CHED C=C1CCC(C(=O)Nc2ccc(C)cc2OC)CC1 888310720 NIOBUEODDFCZMP-UHFFFAOYSA-N 259.349 3.689 30 20 CHED C=C(CC)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 1123589425 ODLSOHRIJPTPKS-LBPRGKRZSA-N 257.333 3.918 30 20 CHED COCCC1(C=NNc2ccc(C#N)cc2)CCCCC1 780211361 GPOYYTJLMJNYJS-UHFFFAOYSA-N 285.391 3.943 30 20 CHED C=CC[C@H](C(=O)OCc1cncc(C)c1)c1ccccc1 785703526 VNMPIAHIQJRFGE-KRWDZBQOSA-N 281.355 3.793 30 20 CHED Cc1cccc(OC(=O)/C=C/c2ccccc2C#N)c1F 780081561 GEDIQCBUASVLNY-MDZDMXLPSA-N 281.286 3.625 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)O[C@H](C#N)CC 781191569 BXPRCVSZCMSIJM-NSHDSACASA-N 281.739 3.588 30 20 CHED C[C@H](OC(=O)c1csc(C#N)c1)c1ccccc1 1129480395 FWDKQNCGJLGCOM-JTQLQIEISA-N 257.314 3.538 30 20 CHED N#Cc1csc(C(=O)OCc2ccc(F)c(Cl)c2)c1 787733469 FIVIOSYHTFLHMI-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C#CCCCCCC(=O)O[C@@H]1CCOc2c(C)cccc21 789498447 SKEUHUGKCQXOGQ-MRXNPFEDSA-N 286.371 3.946 30 20 CHED 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294.354 3.645 30 20 CHED C=CCC(C)(C)c1nc([C@@H]2CC2(Cl)Cl)no1 896809650 JAAFOJQJDGZXFI-ZETCQYMHSA-N 261.152 3.585 30 20 CHED C=CCOc1ccccc1-c1nc(-c2cccc(N)c2)no1 794659762 CIGUTKPFCYNDRT-UHFFFAOYSA-N 293.326 3.551 30 20 CHED C=C1CC(c2noc([C@@H]3CCO[C@H](c4ccccc4)O3)n2)C1 896875759 NMDKWJGVKJTZGH-YOEHRIQHSA-N 298.342 3.680 30 20 CHED N#Cc1c(F)cccc1OCCSc1ccccc1 93087204 JINOBGWAXBWBMD-UHFFFAOYSA-N 273.332 3.868 30 20 CHED COC(=O)c1csc(C(=O)/C=C/c2cccc(F)c2)c1 794724423 FYSOZYRHJWRBLJ-AATRIKPKSA-N 290.315 3.570 30 20 CHED CC1(C)CCC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 1201433180 WLRQAYRSRJNMBQ-ZDUSSCGKSA-N 289.354 3.788 30 20 CHED C[C@@H](NN=Cc1cnc(-c2ccccc2)nc1)C(C)(C)C 793114014 IRXYCKJZKWQNSP-CYBMUJFWSA-N 282.391 3.502 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C[C@H]1C=CCC1 701338107 XFAJQMQIBFGDPO-JTQLQIEISA-N 260.724 3.506 30 20 CHED Cc1ccc(C)c(NN=C2CCC23CCOCC3)c1 799870642 UIGZNPINLGZQFE-UHFFFAOYSA-N 258.365 3.662 30 20 CHED N#CC[C@H]1CCCN(Cc2sccc2Br)C1 397665103 XWGXVMNDMNKIJP-SNVBAGLBSA-N 299.237 3.636 30 20 CHED COCCCON=Cc1ccc(-c2ccc(C)cc2)o1 795056332 XXFFNHFWDULXMQ-UHFFFAOYSA-N 273.332 3.642 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(F)cc1)C2 794960546 CXVUQUFOBMBLCV-QPEQYQDCSA-N 298.313 3.665 30 20 CHED CCCCCCCCNC(=O)N1CCCC[C@H]1C[C@H](C)O 790792431 DLFQKNJZTRZXHB-HOTGVXAUSA-N 298.471 3.682 30 20 CHED C=CCOc1ccc(OC(=O)C2(OCC)CCCC2)cc1 790797254 QHIQODFWLFWUIN-UHFFFAOYSA-N 290.359 3.506 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccncc1 799938266 TZOZCBFPNDZALI-KBPBESRZSA-N 294.345 3.641 30 20 CHED CC(COC(C)C)=NNc1cccc(C(F)(F)F)c1 799865249 XZNZXNHAMZPPPC-UHFFFAOYSA-N 274.286 3.918 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(F)c1 1219030765 LGLDRZOFHZAXBQ-WCQYABFASA-N 289.354 3.645 30 20 CHED C=CC1CCN(c2cccc(Br)c2C#N)CC1 589573467 NDHQCBIFIYDGJR-UHFFFAOYSA-N 291.192 3.723 30 20 CHED N#Cc1cccc(CNc2cc(C(F)(F)F)ccn2)c1 90802976 GDWNUABNLODEKH-UHFFFAOYSA-N 277.249 3.584 30 20 CHED N#Cc1cc(NC(=O)C2(C#N)CCCCC2)ccc1Cl 98112668 GBTXLAQLGMLQJD-UHFFFAOYSA-N 287.750 3.624 30 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CHED CCC[C@H](C(=O)OCc1ccc(C#N)cn1)c1ccccc1 1320777398 SJQWUXOKCMEBMW-KRWDZBQOSA-N 294.354 3.580 30 20 CHED CC[C@H](NCc1ccccc1C#N)c1ccc(F)cc1 1323731494 WXNFUQYTVVKSBM-KRWDZBQOSA-N 268.335 3.938 30 20 CHED CCN(C(=O)c1ccc(-c2cccs2)s1)[C@H](C)C#N 1328827592 MACKRBYXETVFAM-SNVBAGLBSA-N 290.413 3.851 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 1182333196 LHXDCWNEYTVKOY-BBWFWOEESA-N 282.387 3.626 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc(C(C)(C)C)oc1C 1338328901 NNHVVHDHSXNEPP-GFCCVEGCSA-N 276.380 3.650 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc2c(F)cccc2[nH]1 1337480226 SWERQOYDDORBQS-LBPRGKRZSA-N 286.350 3.878 30 20 CHED C=CCn1c([C@H]2CC=CCC2)nnc1N1C[C@H]2CCC[C@H]2C1 1339836526 FTPPOPHTZFNLIE-HRCADAONSA-N 298.434 3.524 30 20 CHED N#Cc1ccc(COC(=O)CCC2CCCCCC2)nc1 1343395032 SEIYFYAYSASPKM-UHFFFAOYSA-N 286.375 3.747 30 20 CHED C[C@H](OC1CCCCC1)C(=O)O[C@@H](C#N)C1CCCCC1 1343967289 NDJHBVMDMZMOQO-BBRMVZONSA-N 293.407 3.740 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccsc2C(F)F)C1 1347635008 JMLHBXSNPPPIOI-JGVFFNPUSA-N 271.288 3.535 30 20 CHED N#CC[C@@H](OC(=O)C[C@@H]1C=CCCC1)c1ccco1 1346706956 OCCBYWLBSYYFDE-TZMCWYRMSA-N 259.305 3.524 30 20 CHED C=C1CCC(C(=O)O[C@@H](CC#N)c2ccco2)CC1 1350312160 SAVGZMAXFGRZHR-AWEZNQCLSA-N 259.305 3.524 30 20 CHED N#Cc1cc(NC(=O)c2cccc3c2CCCC3)ccc1F 1358065165 GBSLEDACQJNRLW-UHFFFAOYSA-N 294.329 3.828 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(C#N)ccc1C 1359854762 RDEGNNBXXZZDBO-RDJZCZTQSA-N 284.403 3.955 30 20 CHED CC1(C)CCN(C(=O)Cc2cccc(C#N)c2)CC(C)(C)C1 1278825282 IJNFAGHHKYMJHZ-UHFFFAOYSA-N 298.430 3.776 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)c1ccsn1)c1cccs1 1515587364 FWGHREJTAXTRAG-CABZTGNLSA-N 292.385 3.652 30 20 CHED C=C(CC)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 1519847628 GWDPJLLLIXHDOW-GFCCVEGCSA-N 289.272 3.902 30 20 CHED CN(C(=O)c1ccsc1C#N)c1ccc(Cl)cc1F 1524598128 UKOBEALPJZIGNH-UHFFFAOYSA-N 294.738 3.689 30 20 CHED CC[C@@H]1CCN(C(=O)c2ccccc2SCC#N)[C@@H]1C 1467293974 RNOJCYBTPGNMDC-CHWSQXEVSA-N 288.416 3.563 30 20 CHED CCCc1c(NC[C@H]2C[C@@H]2C)cnn1-c1cccc(C#N)c1 1462122350 RGAGZLFCVUCRTE-DZGCQCFKSA-N 294.402 3.764 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@H]2CSc3ccccc32)c1 1531985671 XLVJOMXNCKWJDX-AWEZNQCLSA-N 298.342 3.525 30 20 CHED Cc1cc(C)cc(CNC(=O)c2ccc(Cl)c(C#N)c2)c1 1618513481 RJUMNIFYKRWVOT-UHFFFAOYSA-N 298.773 3.759 30 20 CHED COc1ccc(NC(=O)C(C)(C)C2CCCC2)cc1C#N 1544962573 XIPAFOBZRNJFNN-UHFFFAOYSA-N 286.375 3.722 30 20 CHED O=C(O)c1ccc(NN=CC2CCCC2)cc1Cl 1610835345 BAFGJGJFAAYMEQ-UHFFFAOYSA-N 266.728 3.626 30 20 CHED C#CCCCCC(=O)N[C@@H](CC)c1ccc(C)cc1 119493583 QWWDSVNITGWJTE-INIZCTEOSA-N 257.377 3.756 30 20 CHED C[C@H]1C[C@@H](CCNC(=O)NCC(C)(C)C#N)CC(C)(C)C1 1634161432 XQXJKRSIDRXFBW-UONOGXRCSA-N 293.455 3.688 30 20 CHED CNc1ccc(C(=O)Nc2cccc(CC#N)c2)c(Cl)c1 1640868835 SQXVDBFSGNIMBK-UHFFFAOYSA-N 299.761 3.700 30 20 CHED C=CCCCN(CC)[C@H](C(=O)O)c1c(F)cccc1Cl 1588801378 KQFJRZHCRRGYMK-AWEZNQCLSA-N 299.773 3.893 30 20 CHED N#Cc1nccc(Oc2ccc(C3CC3)cc2Cl)n1 1651093033 RBHAHYGXJVEWAR-UHFFFAOYSA-N 271.707 3.671 30 20 CHED COc1cc(Cl)ccc1CN1CCc2ccc(C#N)cc21 1654032448 PTZNIPHTGFEHAP-UHFFFAOYSA-N 298.773 3.783 30 20 CHED CCC1(CC)[C@H](Nc2cc(C#N)ccc2OC)C[C@H]1OC 1652158375 DIYWGGKFFIPAGK-HZPDHXFCSA-N 288.391 3.572 30 20 CHED CC[C@H](NCc1cccc(F)c1C#N)C1CCCC1 1659209368 AWWMSYLBFSAMQD-INIZCTEOSA-N 260.356 3.756 30 20 CHED CC(C)(C)[C@H]1CCN(Cc2cccc(C#N)c2F)C1 230142238 HDLQDJPQPQUTOR-AWEZNQCLSA-N 260.356 3.565 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1676376664 HEPLOGQDARNRBO-KWCYVHTRSA-N 286.847 3.747 30 20 CHED O=C(O)c1coc(C=NNc2cccc(Cl)c2Cl)c1 1776080770 AEFDBCVRWCBMIL-UHFFFAOYSA-N 299.113 3.731 30 20 CHED C=CCCCCN(C)[C@H](C(=O)O)c1cccc(Cl)c1 1776173701 YCMZXLFYFZPLAR-AWEZNQCLSA-N 281.783 3.754 30 20 CHED C=C(Cl)C[C@@H](NCc1ccc2sccc2c1)C(=O)O 1776143304 QLQDJOGMNFVNEO-GFCCVEGCSA-N 295.791 3.587 30 20 CHED C=CCN(Cc1ccc(C)cc1)[C@H]1CC[C@@H](CC(=O)O)C1 1776180104 CBHDMTAXCVWBBL-SJORKVTESA-N 287.403 3.626 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(F)c2)cc1F 206165106 LNVWVGFMGPCAMN-ALCCZGGFSA-N 274.266 3.870 30 20 CHED C#CCCCCNC(=O)c1cncc(-c2ccc(C)cc2)c1 156193993 MBUMLHZSSNLCMK-UHFFFAOYSA-N 292.382 3.590 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cccc(Cl)c1 135152011 XHZYZOBYKKHCQH-UHFFFAOYSA-N 274.682 3.603 30 20 CHED N#Cc1ccccc1COc1ccc(Cl)cc1[N+](=O)[O-] 19046836 FLSUJFMLNZUIFD-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C#Cc1ccc(NCc2cnc(C(C)C)s2)cc1 898503979 AGCPLXRFDYNUPC-UHFFFAOYSA-N 256.374 3.860 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(OCC#N)cc1 35257039 JTSWQSRSCBWQNQ-WBVHZDCISA-N 272.392 3.647 30 20 CHED CCc1ccc(COc2ccc(C#N)cc2OC)cc1 49961530 WBQLAVNIDPGTIE-UHFFFAOYSA-N 267.328 3.708 30 20 CHED N#CC1(C(=O)Nc2cc(F)c(F)c(F)c2)CCCCC1 61119541 RUUKOQKIZAKGHZ-UHFFFAOYSA-N 282.265 3.516 30 20 CHED N#Cc1cnccc1Nc1ccc2c(c1)CCCCC2 404593890 ZKWLUMOURJAXAY-UHFFFAOYSA-N 263.344 3.966 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1NCc1ccc(C#N)c(F)c1 404862943 XOWDOWYBJWFRPF-ABAIWWIYSA-N 260.356 3.612 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(OC)c(OC)c1 312564941 QLZNHWTWKREBPI-CYBMUJFWSA-N 277.408 3.957 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C[C@H](C)CCC=C(C)C 522003511 FXOMQTNVTSDLOS-CABCVRRESA-N 264.413 3.767 30 20 CHED N#Cc1csc(CNCC2CCC(F)(F)CC2)c1 337310373 UOXCOHSJEGSGKN-UHFFFAOYSA-N 270.348 3.535 30 20 CHED CC(C)c1nc(CNc2cccc(CC#N)c2)cs1 449691107 UIXUIRBTEDGWLL-UHFFFAOYSA-N 271.389 3.945 30 20 CHED C[C@H]1CCCCC[C@@H]1Nc1cccc(OCC#N)c1 691073251 QQGIKTVWODSEHA-BBRMVZONSA-N 258.365 3.970 30 20 CHED CCO[C@@H]1CCCC[C@H]1Nc1c(F)cc(C#N)cc1F 450944931 YQECHRMXRVKZIV-ZIAGYGMSSA-N 280.318 3.596 30 20 CHED Cc1c([C@@H](C)NC(=O)N(C)C[C@@H](C)C#N)oc2ccccc12 56903899 RBUYAVIJOZUTJH-WCQYABFASA-N 299.374 3.603 30 20 CHED N#Cc1cccc(CN2CC=C(c3ccc(O)cc3)CC2)c1 53815116 VLYMLBQNGHRQHX-UHFFFAOYSA-N 290.366 3.553 30 20 CHED C=CCOc1ccccc1C(=O)O[C@H](C)c1cccnc1 113473954 ISGDNLDQGSTPIR-CYBMUJFWSA-N 283.327 3.564 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc(C)c(C)c2)CC1 177907906 RNLHZJVKTJFNAW-INIZCTEOSA-N 272.436 3.604 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)c1cc(C#N)cs1 176870714 KOLZMDIBRKDRRQ-NSHDSACASA-N 282.368 3.601 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2[nH]c(C)cc2c1 105038689 UFQSDDJAQVCJBD-UHFFFAOYSA-N 271.364 3.906 30 20 CHED C=CCCCC(=O)N1CCc2cc(OCCC)ccc2C1 178731597 MWAZIEVJNQVLKC-UHFFFAOYSA-N 287.403 3.716 30 20 CHED C=CCCC(=O)N(C)[C@H](C)c1nc2ccccc2s1 171424345 DWAUFNJGLBYCSH-LLVKDONJSA-N 274.389 3.782 30 20 CHED CC(C)Sc1ccccc1C(=O)N1CCC(C#N)CC1 61584404 WWKOVUBMGBOLLH-UHFFFAOYSA-N 288.416 3.563 30 20 CHED Cc1ccccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 178032303 ONVNBUXVWZHZPA-UHFFFAOYSA-N 294.354 3.663 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1 179916077 FPKZHWQVROOCHW-SFHVURJKSA-N 280.346 3.865 30 20 CHED C[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 170945995 HZFOWZDYKQGTNJ-FXAINCCUSA-N 297.185 3.515 30 20 CHED Cc1ccc2cc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)[nH]c2c1 116808703 FUVMPFPNAOVMDX-SCLBCKFNSA-N 295.386 3.679 30 20 CHED C=CCCCC(=O)N(C)Cc1ccc(SC)c(OC)c1 175474945 SKQWCFAIPXVDCA-UHFFFAOYSA-N 293.432 3.732 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cc(C)cc(C)c2)cc1 303295506 LOVQMGMYLXQIPI-RMKNXTFCSA-N 294.350 3.986 30 20 CHED N#Cc1ccc(F)c(CNc2ccccc2Cl)c1 20052040 LEBIHJFRTGSNCS-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC1(c2ccccc2)CC(Nc2ncc(C#N)cc2F)C1 413128740 ORDXBFJBUXDCBW-UHFFFAOYSA-N 281.334 3.625 30 20 CHED C[C@H](N[C@H](C)CC#N)c1ccc(OC(F)(F)F)cc1 68482339 OPSYVKRUZKUWJA-ZJUUUORDSA-N 272.270 3.538 30 20 CHED C=CCSCCNC(=O)[C@H](C)c1cc2ccccc2o1 176203189 AQUVDDXVKGTWFE-GFCCVEGCSA-N 289.400 3.572 30 20 CHED Cc1cccc2c1CCN2c1ccc(Cl)c(C#N)n1 301556906 WWFQMSMKGGZPGO-UHFFFAOYSA-N 269.735 3.609 30 20 CHED CCC1CC(N[C@@H]2CCCc3cc(C#N)ccc32)C1 417371698 UUJQOUFLMRAWDV-MWHAMWOXSA-N 254.377 3.714 30 20 CHED N#Cc1ccc(NCc2ccc(F)cc2)c(Cl)c1 62790786 PRZKHQHUXWDMLY-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 121244579 SACONFCFCGMCNZ-HUUCEWRRSA-N 296.414 3.523 30 20 CHED Cc1oc2ccccc2c1CNc1ncccc1C#N 302227193 UFHNOSQHHHFNDQ-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cc(F)cc(F)c2)c1C 121126530 XBAQLUZNNZEJGS-AATRIKPKSA-N 290.313 3.694 30 20 CHED N#Cc1ccc(OCCCOc2ccc(F)cc2F)cc1 34674919 OQCBPHUVBACWBW-UHFFFAOYSA-N 289.281 3.684 30 20 CHED Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)ccc1Cl 434016615 NOAAUHHIWMBTIX-AWEZNQCLSA-N 290.794 3.803 30 20 CHED N#Cc1ccncc1NCCc1cc(Cl)cc(Cl)c1 354564449 KPJMCECDTUZOPQ-UHFFFAOYSA-N 292.169 3.915 30 20 CHED Cc1cccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)c1 71901280 WSQMSGRTPDHQSX-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1cccc(F)c1 188429694 SNFRFASEVVWNAL-QGZVFWFLSA-N 277.383 3.822 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H]2SCC)CCC1 188856101 XWYUXIDFPVBKJC-OLZOCXBDSA-N 267.438 3.523 30 20 CHED C=CCCn1nc(C)nc1-c1ccc2ccccc2c1 128854843 SJDBAFJRFXFYHZ-UHFFFAOYSA-N 263.344 3.983 30 20 CHED CCC[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CCO1 128547478 XAGHSGPUXQVHFP-GFCCVEGCSA-N 298.308 3.582 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2cccc(F)c2)c1 211789164 QAKGVBPFDIQTCI-VURMDHGXSA-N 286.302 3.739 30 20 CHED C[C@@H](NC[C@H](c1cccs1)N(C)C)c1cccc(C#N)c1 37234638 NIEKJWUCMVKVHT-CZUORRHYSA-N 299.443 3.573 30 20 CHED Cc1cc(NCc2ccc(C#N)o2)c2ncccc2c1 125288323 QTILENLXTLVFAZ-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)[C@H](c2ccccc2)CO1 76147946 ZAFRRPRXRQWHLF-BEFAXECRSA-N 292.382 3.520 30 20 CHED C[C@H](Nc1ccccc1-n1cccn1)c1cccc(C#N)c1 315527860 VDOQCRHQSUTGNX-AWEZNQCLSA-N 288.354 3.917 30 20 CHED Cc1ccccc1[S@@](=O)CCCCC(C)(C)C#N 235794650 YWPVXIRKNZNAIA-SFHVURJKSA-N 263.406 3.823 30 20 CHED O=C(/C=C/c1ccc(N2CCOCC2)cc1)C1CCCCC1 72751855 QEVSNZOOPQUURX-DHZHZOJOSA-N 299.414 3.686 30 20 CHED CC(C)(C#N)CC(=O)NC1CC(C)(C)CC(C)(C)C1 503941987 BDXFSAKLLPWVKO-UHFFFAOYSA-N 264.413 3.647 30 20 CHED Cc1cc(Br)c(CNCC2(C#N)CCC2)s1 418140593 JTTGMPDVYTWPJR-UHFFFAOYSA-N 299.237 3.603 30 20 CHED CC[C@H](C)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 128801937 OUESDPYMUJJFEL-WFASDCNBSA-N 294.354 3.533 30 20 CHED N#Cc1c(F)cccc1NCC1([C@@H](O)c2ccccc2)CC1 129896267 KYEYFGKPGXRMJV-KRWDZBQOSA-N 296.345 3.623 30 20 CHED C=CCn1c(C)nnc1SCc1ccc(C)cc1C 75323161 SNBKIKOATWIDRA-UHFFFAOYSA-N 273.405 3.682 30 20 CHED C=CCC[C@@H](C(=O)N(C)CCCC)c1ccccc1 186486809 LWGNZEUHRGGJHC-MRXNPFEDSA-N 259.393 3.995 30 20 CHED N#Cc1nnc2ccccc2c1Oc1cccc(F)c1F 77216802 DGXWZELTXXPPOB-UHFFFAOYSA-N 283.237 3.572 30 20 CHED N#Cc1ccc(NC(=O)N2CCCC3(CC3)C2)cc1Cl 183955094 VKUVHUIBVHDXKF-UHFFFAOYSA-N 289.766 3.620 30 20 CHED C=CCC[C@H](C(=O)N1CCSC[C@H]1C)c1ccccc1 188179783 WGDWXPXUADEKCZ-ZBFHGGJFSA-N 289.444 3.700 30 20 CHED C=CCC[C@H](C(=O)N1C[C@H]2CCC[C@H]2C1)c1ccccc1 188526664 TZFRYZHZMZSGDF-KSZLIROESA-N 283.415 3.995 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC(CCc2ccccc2)CC1 505897280 CPEZNLIGKIGAKL-IBGZPJMESA-N 298.430 3.798 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@]2(C)CC=CCC2)cc1 410867484 ZSVMMVJPYPCSBL-AEFFLSMTSA-N 282.387 3.676 30 20 CHED Cc1[nH]c2ccc(C(=O)[C@@H](C#N)c3ccccn3)cc2c1C 41494096 FYEAOPLZMZPIRT-HNNXBMFYSA-N 289.338 3.670 30 20 CHED C=CC[C@@H](C)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1 187078563 FAELSQDKVZADEP-LLVKDONJSA-N 295.342 3.517 30 20 CHED C[C@@H](C#N)CNC(=O)N[C@H](CC1CCCC1)c1ccccc1 182733203 LDBLQNPFEHCXLX-WMLDXEAASA-N 299.418 3.767 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(CCOCC)CCCC1 182630597 PFDZKHOYNIZKKF-OAHLLOKOSA-N 281.440 3.834 30 20 CHED CC1(/N=C(/O)[C@H]2CCC(=O)c3cccn32)CCCCC1 329836849 HZHOUSADAIVCFJ-CYBMUJFWSA-N 274.364 3.685 30 20 CHED N#Cc1ccc(OCc2ccc(OC(F)F)cc2)c(F)c1 134312229 ILSIYPGRSQKQGQ-UHFFFAOYSA-N 293.244 3.878 30 20 CHED Cc1ccc(F)c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 43349790 GJPLRQSLAAZXIU-GFCCVEGCSA-N 297.333 3.889 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC2(CCC2)C1 508684229 XHCHOGATPLQKHP-UHFFFAOYSA-N 294.402 3.512 30 20 CHED CC(C)[C@H](C)CC(=O)N1CCCc2cc(C#N)ccc21 410999059 GSCXHPUYHIUADR-CYBMUJFWSA-N 270.376 3.520 30 20 CHED Cc1ncoc1/C(O)=N/C1(Cc2ccccc2)CCCC1 329414547 FRTRVHYMZXBGGX-UHFFFAOYSA-N 284.359 3.843 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)CCC1CCC1 410973729 WRUZLQZDBYVHCR-UHFFFAOYSA-N 276.767 3.925 30 20 CHED C=C[C@H](C)NC(=O)CCOc1cc(C)ccc1C(C)C 501954265 RUUOKGUPKAPKLH-AWEZNQCLSA-N 275.392 3.578 30 20 CHED CCCCCC[C@H](C)NC(=O)C(C#N)(CC)CC 44766559 YDGNBIAZLLKPQK-ZDUSSCGKSA-N 252.402 3.791 30 20 CHED O/C(=N/CC1CCCCC1)c1cnc([C@@H]2CCCO2)s1 328899450 YXRZGHBWWDUMDV-LBPRGKRZSA-N 294.420 3.880 30 20 CHED N#Cc1cccc(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 41526559 QNOCSYOPSACASS-UHFFFAOYSA-N 296.757 3.882 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 133824037 NVPLRAZGRDACQG-QGZVFWFLSA-N 298.430 3.540 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(CN(C)C)cc2)no1 426416908 NBTLIPOADOAZOI-UHFFFAOYSA-N 285.391 3.652 30 20 CHED Cc1nccc(CC/C(O)=N/[C@@H]2CCC[C@H](C)CC2)n1 329009123 NZZFWVJCTCTNSS-GXTWGEPZSA-N 275.396 3.643 30 20 CHED N#C[C@H](NC(=O)c1ccc2c(c1)CCC=C2)C1CCCCC1 329677888 WTLJBRGARQNBSQ-SFHVURJKSA-N 294.398 3.848 30 20 CHED N#Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)s1 421895034 YIKSZGDYZIBTDT-INIZCTEOSA-N 283.400 3.646 30 20 CHED Cc1c(NC(=O)[C@]2(C)CCC[C@H]2C)ccc(C#N)c1C#N 421557277 LEWDITBIUSNJPW-PIGZYNQJSA-N 281.359 3.503 30 20 CHED CO[C@@H]1CCCC[C@@H]1C(O)=Nc1cnc2c(c1)CCCC2 329072068 ZISONJAOGMOIGE-GOEBONIOSA-N 288.391 3.754 30 20 CHED C[C@@H](NCc1cc(F)cc(F)c1)c1ccc(C#N)cc1 173895943 ZEJFNVSUXFZCFY-LLVKDONJSA-N 272.298 3.687 30 20 CHED CC[C@H]1CC[C@H](C(O)=Nc2scnc2C2CC2)O1 328902765 GZLJMMRWJWDQCR-VHSXEESVSA-N 266.366 3.566 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCc3ccccc32)cc1 48709426 XWQSCLZMPWEAGV-GOSISDBHSA-N 276.383 3.768 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccc(OC)cc2F)no1 424360775 TVURIGXTPNFPOC-UHFFFAOYSA-N 290.338 3.662 30 20 CHED Cc1ccc(CN(Cc2cc(C#N)n(C)c2)C(C)C)s1 191273495 ZLIFRWJEXAJVOI-UHFFFAOYSA-N 287.432 3.677 30 20 CHED CC(C)[C@H](CNCc1ccc(C#N)o1)Cc1ccccc1 190414107 ABMDZIILKFUGDU-INIZCTEOSA-N 282.387 3.756 30 20 CHED CC[C@H](C)C[C@H](C)Nc1nc2c(cc1C#N)CCC2 88298495 LIDOJPAAWHJUNY-RYUDHWBXSA-N 257.381 3.679 30 20 CHED CCc1ccc([C@H](C)NC(=O)Cc2ccc(C#N)cc2)cc1 194714227 RRKSWCIISFZZDT-AWEZNQCLSA-N 292.382 3.541 30 20 CHED C=CCC1(C(=O)Nc2cc(CC(C)(C)C)nn2C)CCC1 191483958 QMDAHIJKIISEIQ-UHFFFAOYSA-N 289.423 3.694 30 20 CHED C[C@H](O)CCCSc1ccc(C#N)c(C(F)(F)F)c1 427798696 OPONVFPNMKSVKP-VIFPVBQESA-N 289.322 3.830 30 20 CHED N#Cc1c(F)cccc1OCc1ccc(Cl)nc1Cl 194357405 LMDOLVYEWFYYHF-UHFFFAOYSA-N 297.116 3.978 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CCCc2sccc21 336407353 OJGZFDHCTFZUCT-WBMJQRKESA-N 290.432 3.613 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1scnc1C1CC1 336094211 OUKZTEQMKMSHKR-LLVKDONJSA-N 277.393 3.593 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](CC)CC(F)(F)F 424889973 XTFPABSUDSZPNW-SNVBAGLBSA-N 265.319 3.684 30 20 CHED N#Cc1ccc(Cl)cc1N1CC[C@@H](c2ccco2)C1 609893343 GTYHONDTDANIDY-GFCCVEGCSA-N 272.735 3.799 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCc3cccnc32)CCCC1(C)C 425267850 NHTSVPACTYRFEY-CVEARBPZSA-N 298.430 3.705 30 20 CHED Cc1ccc(F)c(C(=O)Nc2scc(C)c2C#N)c1 334315730 RIENYURBTSJRFH-UHFFFAOYSA-N 274.320 3.628 30 20 CHED Cc1cccc(Oc2ccc(NC(=O)[C@@H](C)C#N)cc2)c1 510381622 YYQUJKSTCYXNQP-ZDUSSCGKSA-N 280.327 3.886 30 20 CHED C[C@@H]1CCC[C@H]1CNc1nc(Cl)c(C#N)s1 230691118 SFLHCQBOQURLRH-SFYZADRCSA-N 255.774 3.516 30 20 CHED CCCC(=CC(=O)N(CCC#N)CC(F)(F)F)CCC 92440081 NVLSYHDXTPRXOD-UHFFFAOYSA-N 290.329 3.818 30 20 CHED CC(C)OCc1cccc(N=C(O)N[C@H]2CC[C@@H](C)C2)c1 331303660 WAGNYNNTSWZCRN-CJNGLKHVSA-N 290.407 3.935 30 20 CHED CC(C)c1cc(Br)ccc1NC(=O)[C@@H](C)C#N 336414759 FUMLRBDJYAYDEA-VIFPVBQESA-N 295.180 3.671 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1cccc(Cl)c1 517754031 VKPXELZEZVODBS-CQSZACIVSA-N 265.784 3.744 30 20 CHED CC(C)(CCC#N)CNC(=O)NCC(C)(C)C(C)(C)C 431364712 QEKFFVNJRYFKEX-UHFFFAOYSA-N 281.444 3.688 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCc1cccc(C)c1 436280972 CQKSZZDZPYFWNF-QRQLOZEOSA-N 287.447 3.887 30 20 CHED N#Cc1cc(NC(=O)NC2CCC3(CC2)CC3)ccc1F 333102282 CYNYBPWHGGEIIM-UHFFFAOYSA-N 287.338 3.542 30 20 CHED N#Cc1nn(CC#Cc2cccc(Cl)c2)c2ccccc12 432484136 SSXSMNNFKZNWQQ-UHFFFAOYSA-N 291.741 3.613 30 20 CHED CCN(CCC#N)Cc1csc(C2CCCCC2)n1 267027609 AEIKLGOJWTWQCZ-UHFFFAOYSA-N 277.437 3.926 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)c1ccc(C#N)s1 336419223 CXIMERGWAULEQC-VIFPVBQESA-N 276.386 3.514 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc2ccsc12 334362250 KGSRFMOMCQQPJP-UHFFFAOYSA-N 258.346 3.780 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 248388906 AAFXLDFMVZSJJJ-HZSPNIEDSA-N 264.413 3.647 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCC[C@H]1C(C)C 436298892 IGYXXTUNUVRMEO-TWMKSMIVSA-N 265.441 3.772 30 20 CHED CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(F)(F)F 436091731 PDXRZMAHMJNVNM-SKDRFNHKSA-N 299.296 3.657 30 20 CHED C[C@H](CC#N)N(C)CCCOc1cccc2ccccc12 345878070 ZIACFJVIBCUNGP-OAHLLOKOSA-N 282.387 3.843 30 20 CHED Cc1cc(N(Cc2ccc(F)cc2F)C2CC2)cc(C#N)n1 341723860 TYWAVIDGLQRJSU-UHFFFAOYSA-N 299.324 3.709 30 20 CHED N#Cc1nccnc1SCc1ccccc1C1CC1 342445458 XBSRSHPOUWKTQY-UHFFFAOYSA-N 267.357 3.518 30 20 CHED CC[C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603623082 DIQKEBJNSJWDPK-LBPRGKRZSA-N 295.342 3.730 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2c(C)noc2C)cc1 255108370 FNPRZLVQUSMUOO-KHPPLWFESA-N 284.359 3.644 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cc(C)cc(C)c2)o1 254976605 DJFVZHKDCRNBTM-XQRVVYSFSA-N 284.311 3.579 30 20 CHED C=CC(C)(C)CNC(=O)c1cc2cscc2s1 529449956 CKBYTYZZWXINRI-UHFFFAOYSA-N 265.403 3.905 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(C(C)=O)[nH]1)c1ccccc1 343210743 DQJXAIMHLYCRHL-INIZCTEOSA-N 296.370 3.655 30 20 CHED CC[C@H](CNC[C@@H](C)CCC#N)Oc1ccccc1C 602564177 QBRKTEWMGVCUDD-GOEBONIOSA-N 274.408 3.682 30 20 CHED Cc1ccc2cccc(NC[C@H](C)CCC#N)c2n1 602590558 SJICAUDKXSTZHL-GFCCVEGCSA-N 253.349 3.895 30 20 CHED N#Cc1ccc(SCCCN2CCCCC2)cc1 341537039 CCSCPEYUNDMWHL-UHFFFAOYSA-N 260.406 3.526 30 20 CHED CCC(CC)N(CC)C(=O)c1cccc(C#N)c1C 346246084 CFHYGRWFGQJVGG-UHFFFAOYSA-N 258.365 3.517 30 20 CHED CN1Cc2ccc(N=Cc3cc(Cl)ccc3O)cc2C1 255001293 WBZQBVUIGSEWNW-UHFFFAOYSA-N 286.762 3.742 30 20 CHED CC(C)[C@@H](C#N)OC(=O)/C=C\c1cnc(C(C)(C)C)s1 254999609 UJJKGGQULGXIEL-ZHRWSRJISA-N 292.404 3.545 30 20 CHED CCSc1cccc(CNC(=O)c2cccc(C#N)c2)c1 343658977 YSKYSSSIQJFYEM-UHFFFAOYSA-N 296.395 3.600 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1ccc(F)c(F)c1 255780602 XPKDFFRYTQMBES-XQRVVYSFSA-N 279.673 3.909 30 20 CHED C=CCn1c(SC[C@@H](F)CC)nnc1-c1ccccc1 440581908 ZCBADAUZFUNSML-ZDUSSCGKSA-N 291.395 3.971 30 20 CHED Cc1cccc(OCCN[C@@H](C)c2ccc(C#N)c(F)c2)c1 539609096 DRARFIFNFKOBPM-AWEZNQCLSA-N 298.361 3.735 30 20 CHED C=CC[C@@H]1N(C(=O)NC2CC(F)(F)C2)CCCC1(C)C 447810597 JURDZAJFPDLHJW-LBPRGKRZSA-N 286.366 3.560 30 20 CHED C=C(C)CN(CC)C(=O)c1c(C)cccc1Cl 448684454 LCQORYZOURCVQP-UHFFFAOYSA-N 251.757 3.687 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCSc2ccccc21 602506519 YNBVKCNQJPWLQK-OCCSQVGLSA-N 260.406 3.753 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@H](C)c1ccccc1Cl 265458518 DKPJLXNCYTVMLZ-SNVBAGLBSA-N 287.190 3.795 30 20 CHED Cc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)nc1 353935673 VFNXCKCVPMQNLP-MOPGFXCFSA-N 291.398 3.662 30 20 CHED N#Cc1ccc(SCc2nc3ccccc3s2)nc1 356195841 BDKDARBBMVCYTD-UHFFFAOYSA-N 283.381 3.855 30 20 CHED C=CCCC1(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)CC1 354785022 LSSHKDPZJXEXAG-UHFFFAOYSA-N 299.349 3.696 30 20 CHED CN(Cc1cccs1)C(=O)C[C@@H](CC#N)c1ccccc1 353612314 WUCVSDJGPOFAQT-OAHLLOKOSA-N 298.411 3.794 30 20 CHED Cc1cnc([C@@H](C)CNCc2ccc(C#N)c(C)c2)s1 444005292 VRKLLHXYKFJRQH-LBPRGKRZSA-N 285.416 3.525 30 20 CHED C=CC(C)(C)CN[C@@H](C)CCc1ccc(OC)c(O)c1 449485754 OOQGBCOCFXIJNW-ZDUSSCGKSA-N 277.408 3.524 30 20 CHED CC(C)n1ccnc1SCCCC(C)(C)C#N 267076956 UIBDKCGHMSNCJP-UHFFFAOYSA-N 251.399 3.886 30 20 CHED CC1(C#N)CCC(NCc2cc(-c3ccccc3)on2)CC1 449112813 SVTXTLAWZVMWPK-UHFFFAOYSA-N 295.386 3.904 30 20 CHED CCCC1(CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 356432275 VKDFOFMIOPTHLN-INIZCTEOSA-N 284.403 3.770 30 20 CHED C=CCCCc1nc(-c2c[nH]c3ccccc23)no1 445442038 NRCCSNZELAAJTQ-UHFFFAOYSA-N 253.305 3.727 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)c2cc(C#N)ccc2Cl)C1 353321591 RHCGJLCJIAXMMQ-RYUDHWBXSA-N 290.794 3.862 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC/C=C/c1ccc(F)cc1 618742275 VRMDLMOUZZNKNX-SNDJDQCESA-N 292.357 3.988 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)o2)[C@@H]2CCCC[C@H]12 535072790 OVKVMZJSZVZDMH-DAXOMENPSA-N 258.365 3.552 30 20 CHED Cc1ccc(C)c(Oc2c(C#N)nnc3ccccc23)c1 610128470 MZWJQJGOVDDGGP-UHFFFAOYSA-N 275.311 3.911 30 20 CHED c1cc(CON=C2CCC2)ccc1CON=C1CCC1 265288506 AERHBUKZWSHHNW-UHFFFAOYSA-N 272.348 3.800 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(C#N)c1F 352700826 XOXCWXJGTHPYMJ-UHFFFAOYSA-N 284.334 3.521 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(SC)oc2C)C1 617777359 NDJKVPIJTKOMGA-LBPRGKRZSA-N 279.405 3.738 30 20 CHED C=CCN(C(=O)CCOc1ccc(C(C)C)cc1)C1CC1 539034137 XFMDZBPLWHASQP-UHFFFAOYSA-N 287.403 3.756 30 20 CHED N#CCCCCNCc1c(Cl)ccc2cccnc12 611585061 OLEKNMAZEQGESX-UHFFFAOYSA-N 273.767 3.672 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 610354299 WBGCPWXYSDMDIO-IHRRRGAJSA-N 287.407 3.743 30 20 CHED CCC1(CNC(=O)N[C@H](C)c2cccc(C#N)c2)CCCC1 610761493 YENMLVNDABAXNK-CQSZACIVSA-N 299.418 3.889 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1ccc(F)cc1C#N 360329162 KGVBIOAILMMLSV-WQGACYEGSA-N 260.356 3.612 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCCCC1(C)C 538289110 XDAZXNBXJYQYQN-HNNXBMFYSA-N 281.440 3.834 30 20 CHED CC1(C)C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)CCO1 360664948 SVYVIFOORHDERQ-AEFFLSMTSA-N 298.430 3.873 30 20 CHED C=C(C)CCNC(=O)CCCCC(=O)c1ccc(C)cc1 452720470 XCFILTPHWIAMGZ-UHFFFAOYSA-N 287.403 3.821 30 20 CHED Cc1ccccc1[C@@H](NC(=O)NCC(C)(C)CC#N)C1CC1 458371453 AFZHOOIXDTVXSL-INIZCTEOSA-N 299.418 3.685 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)c1nc([C@H]2CC2(C)C)no1 453073832 UHWWQAMRBTWMKY-CQSZACIVSA-N 295.386 3.975 30 20 CHED Cc1ccnc(N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1C#N 541279794 UVPZXMFSIBCSDP-UKRRQHHQSA-N 295.361 3.783 30 20 CHED N#Cc1ccnc(Nc2ccc(NCC3CCCC3)cc2)n1 450306499 ZGJLSFROWUOPHF-UHFFFAOYSA-N 293.374 3.694 30 20 CHED C=CCC1(NC(=O)c2oc(CC)nc2C)CCCCC1 456369327 PZOHKTNLJRAKSV-UHFFFAOYSA-N 276.380 3.554 30 20 CHED CCN(C(=O)c1cc(C)sn1)[C@H](C)c1ccc(C#N)cc1 278224579 JSTRTKZARCIUIV-GFCCVEGCSA-N 299.399 3.547 30 20 CHED CCC1(C)CCN(c2c(C#N)nnc3ccccc23)CC1 610130419 UPPDAGISQLLUCJ-UHFFFAOYSA-N 280.375 3.518 30 20 CHED C=CCn1c(SCCOCC2CC2)nc2ccccc21 543644266 HPFFXZBMNVHNHW-UHFFFAOYSA-N 288.416 3.741 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)C1(C#N)CCC1)CC2 275068025 UFPCATQQUVFLHC-MRXNPFEDSA-N 282.387 3.607 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 544612249 ZYUCRVGBMFVCDA-LALPHHSUSA-N 285.391 3.813 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccc(Br)cc1 299712768 QSVUDTJPTKMRNN-GHMZBOCLSA-N 281.197 3.792 30 20 CHED Cc1cccc(CN(CC(C)C)C(=O)CCCC#N)c1 360265900 HFUZYLFZVIPLPY-UHFFFAOYSA-N 272.392 3.674 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnn(CCCC)c1C 540553862 OSDVZVHBNCDIOH-ZDUSSCGKSA-N 292.427 3.858 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(F)c(Cl)c1 274374601 XFWDSKKTUZMEGW-CQSZACIVSA-N 282.746 3.537 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)Oc1ccc(C)cc1 620864172 TWFUOZIRJSATNU-AWEZNQCLSA-N 275.392 3.623 30 20 CHED CCN(C(=O)Nc1cnc(C#N)c(Cl)c1)[C@H](C)C(C)C 455800324 YQHUXHKHGZXQAI-SNVBAGLBSA-N 294.786 3.505 30 20 CHED CC(F)(F)CCN=c1c(C#N)c[nH]c2ccc(Cl)cc12 450550500 BPXGAVKJTPWLFX-UHFFFAOYSA-N 295.720 3.639 30 20 CHED C=CCCc1noc([C@@H]2CCN(c3ccccc3)[C@@H]2C)n1 453243253 YWFLIWBOAIMMGB-UKRRQHHQSA-N 283.375 3.571 30 20 CHED C=CCN(C(=O)c1ccccc1CCC(F)(F)F)C1CC1 273273441 MURHZGWUKKYJMW-UHFFFAOYSA-N 297.320 3.972 30 20 CHED C=C(C)CNC(=O)N(C)[C@H](C)c1ccc(C)cc1C 275020010 MFOQEVVQINSMJI-CQSZACIVSA-N 260.381 3.582 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1CCC(=O)c2ccccc21 620857090 NAEWJCNMXVTQJE-OAHLLOKOSA-N 285.387 3.608 30 20 CHED N#Cc1nn(CCOc2ccccc2Cl)c2ccccc12 544210284 ZQAQUMJUAVUXAS-UHFFFAOYSA-N 297.745 3.640 30 20 CHED CCOc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 271939583 OJYZLUIHBBOHJA-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](CC(F)(F)F)C(C)C 543624074 KYRPCKQYGXLUJW-GHMZBOCLSA-N 280.334 3.617 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1c[nH]c2c(C)cccc12 542187056 XHBCCTMGFVRSNV-OAHLLOKOSA-N 299.418 3.673 30 20 CHED C=CCCN(C)C(=O)c1ccc(-c2ccc(C)o2)s1 276346533 GVZHQBPZEXTYBK-UHFFFAOYSA-N 275.373 3.965 30 20 CHED C=CC[C@@H](C(=O)N(C)Cc1cccc(O)c1)c1ccccc1 548640237 NKVZUAADAIIYCZ-GOSISDBHSA-N 295.382 3.711 30 20 CHED CCCc1nc(CNC2(c3cccc(C#N)c3)CC2)cs1 271754358 GOQBEJAJNHMGBK-UHFFFAOYSA-N 297.427 3.746 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc3[nH]ccc3c2)no1 273685375 IVBQBMNNMFNQNA-NSHDSACASA-N 283.331 3.872 30 20 CHED C=CCCN(C)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 466966340 SIFZVBOADVDIBB-VXGBXAGGSA-N 292.345 3.573 30 20 CHED C=CCCCCCN(C)CCCC1CCOCC1 463286974 WTYFVGSZWVOCPU-UHFFFAOYSA-N 253.430 3.871 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SC[C@@H](C)CC 464796794 WFDLOAKYOYAZSB-QWHCGFSZSA-N 257.443 3.579 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCCS1 542144507 BJRBIMFRLAIODX-MRXNPFEDSA-N 289.444 3.529 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(C#N)cs1 288539342 HHTNKBBXFPOKDP-AAEUAGOBSA-N 290.432 3.907 30 20 CHED C=CC[C@H](CC)NC1CCC2(CC1)C(=O)Nc1ccccc12 281446741 DATPWOJWKSDZQV-XVTSOASTSA-N 298.430 3.763 30 20 CHED C=CCC[C@@H](C(=O)N(C)CCCSC)c1ccccc1 466771722 NNJIEIAYCQPULN-MRXNPFEDSA-N 291.460 3.948 30 20 CHED C=CCC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccco1 285900147 CRLLULBCJCSLPL-CQSZACIVSA-N 286.331 3.985 30 20 CHED N#Cc1ccccc1CSCCN[C@@H]1CC[C@@H]1C1CC1 554349217 QXLGTNVLQXOMEA-IAGOWNOFSA-N 286.444 3.570 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1c(F)cncc1F 285726940 QPGVCSXOJJGMLA-MNOVXSKESA-N 254.324 3.755 30 20 CHED N#CCc1ccnc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 552329071 FNKLRCSHUHCTKW-HRCADAONSA-N 297.402 3.693 30 20 CHED C=C[C@@](C)(CC)c1nc([C@H]2CCC(F)(F)C2)no1 289081587 JQHIKCJXXUFQPC-CABZTGNLSA-N 256.296 3.826 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(C)(C)[C@@H]1C1CC1 460662649 OWHJSTQJBVQJQN-OCCSQVGLSA-N 264.413 3.561 30 20 CHED C=CCC[C@@H](NC[C@H](C)CN1CCCC1)c1ccco1 556863289 XDTMNMROXVMDLT-JKSUJKDBSA-N 276.424 3.608 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C2)C1 554032270 XUNJGYAFZLRQLS-ILXRZTDVSA-N 264.413 3.563 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H]1c1cc(C)ccc1C 474236779 XOACUGIQDJPYHV-FUHWJXTLSA-N 273.420 3.767 30 20 CHED CC(=NNc1nccnc1C1CCC1)C1CCCC1 807992170 CEJIJSTXQFYDOX-UHFFFAOYSA-N 258.369 3.722 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(OC)c2)n1 556364843 HWXKMQPLHDMHNF-UHFFFAOYSA-N 258.321 3.599 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc3nc(C4CC4)oc3c2)C1 559784291 ZTKICJFRURZQTJ-ZYHUDNBSSA-N 267.332 3.809 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CCCCC#N 296584676 FCLKGMWOFDWFNR-INMHGKMJSA-N 256.393 3.947 30 20 CHED N#CCCCC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 291625834 FWNINQRAFGKGFP-IRXDYDNUSA-N 284.403 3.598 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)C(C)(C)C 807881914 SPZMQYFGCWXHPV-FZMZJTMJSA-N 277.795 3.608 30 20 CHED C=CCCCCNC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 472838012 YFXIPBKZDPATBB-GDBMZVCRSA-N 272.392 3.745 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(CC)c(Cl)c2)nc1 803563621 QQYVMUUSXANRFU-UHFFFAOYSA-N 284.746 3.531 30 20 CHED C=CCC1(c2nc(Cc3c(C)noc3C)no2)CCCC1 562562980 YQEFOSRWEIZYPE-UHFFFAOYSA-N 287.363 3.653 30 20 CHED C=CCOCc1nc([C@H](c2ccccc2C)C(C)C)no1 565720451 FWZQPYPXJAYGPJ-INIZCTEOSA-N 286.375 3.869 30 20 CHED CC(C)(C)OCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297684643 GXGZBSMZZBOTMW-UHFFFAOYSA-N 294.420 3.671 30 20 CHED c1cnc(C2CCC2)c(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)n1 807993989 KBOSBDOKEJRGEO-KBXIAJHMSA-N 296.418 3.968 30 20 CHED CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(CC#N)cc1 399151585 ZIVPPMVNGXPHPN-AWEZNQCLSA-N 296.336 3.915 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@@H]1OCCc2sccc21 292017916 ZJCCEDQQKPCLDX-HUBLWGQQSA-N 265.422 3.695 30 20 CHED C[C@H]1/C(=C2\COc3ccc(F)cc32)C(=O)c2ccccc21 809159013 GGCXNTBQLJKHLU-JMNMEQFQSA-N 280.298 3.972 30 20 CHED N#CCCC1CCN(C(=O)c2cccc(C3CC3)c2)CC1 565493535 ZGMVQTHXMVWRLD-UHFFFAOYSA-N 282.387 3.720 30 20 CHED CCCC[C@H](SCc1ccc(C#N)cc1F)C(=O)OC 475883178 QQQFCPMYCIOITO-AWEZNQCLSA-N 295.379 3.662 30 20 CHED C[C@H](NCc1ccc(F)cc1C#N)c1ccsc1 801571348 XYNOHSAENHXEBT-JTQLQIEISA-N 260.337 3.610 30 20 CHED C=CCCCCCNC(=O)COc1ccsc1Cl 565166049 YZRDAVVXPUYCDD-UHFFFAOYSA-N 287.812 3.643 30 20 CHED C=C(C)COC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801895593 KRLSBXIQYIDMTA-LLVKDONJSA-N 276.229 3.835 30 20 CHED C=CCCC(=O)O[C@H](c1ccc(OC)cc1)C(F)(F)F 296189624 MYCUMGBPKSMBKM-CYBMUJFWSA-N 288.265 3.808 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C(C)(C)C 807879672 ZMFNYNDKAHVGES-QWHCGFSZSA-N 251.414 3.613 30 20 CHED C#C[C@H](NCc1c[nH]nc1-c1cccc(C)c1)C(C)(C)C 809782532 XDZGOJBTIFVDTG-INIZCTEOSA-N 281.403 3.523 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2c3c(cccc13)CC2 643087551 FWGLGILQFGIBOW-UHFFFAOYSA-N 279.383 3.977 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 474271660 QUZPDYFCILFWPG-STQMWFEESA-N 287.407 3.611 30 20 CHED C=CCN1CCC(N[C@@H]2CCCCC23CCCC3)CC1 645407963 GZLHGFROLUUORS-QGZVFWFLSA-N 276.468 3.729 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(CCC)CC1CC1 562025192 VDWMCRAMEJIAER-CYBMUJFWSA-N 276.428 3.604 30 20 CHED Cc1ccc(NN=Cc2ccc3oncc3c2)cc1 814685271 FLOIJSWTWVMHLV-UHFFFAOYSA-N 251.289 3.582 30 20 CHED C#CCCCCNC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 814311962 OEMJCRNDWFSZLY-SFHVURJKSA-N 298.430 3.551 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](c1ccccc1)C(F)(F)F 815091883 ZOLAUWZGCVJQKB-JTQLQIEISA-N 293.235 3.618 30 20 CHED CC[C@H]1CN(c2c(C#N)cnc3ccc(C)cc23)CCS1 488064713 ATRPZRQRPSIDSD-AWEZNQCLSA-N 297.427 3.747 30 20 CHED CC(=NOC1CCC1)c1ccc(F)c(Br)c1 812237756 CYOSKPWXVCYKOB-UHFFFAOYSA-N 286.144 3.881 30 20 CHED CC(C)CN(CCc1ccccc1)C(=O)CC(C)(C)C#N 481499967 WICGBKRWLURFRE-UHFFFAOYSA-N 286.419 3.654 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1cccc(F)c1F 489991928 WWOFUFQQLVQSIK-UHFFFAOYSA-N 281.346 3.616 30 20 CHED COCCCNN=C1CCCC[C@H]1C1CCCCC1 814920250 HGGVGOQNSKUVAD-HNNXBMFYSA-N 266.429 3.739 30 20 CHED Cc1ccc(C(=O)Nc2nc(Cl)c(C#N)s2)c(C)c1 813368800 AIBDJMRKUPSWBI-UHFFFAOYSA-N 291.763 3.537 30 20 CHED Cc1cc(C#N)cnc1C(=O)NCCCCCCC(C)C 814925650 IWRQWCVSVFGCEH-UHFFFAOYSA-N 287.407 3.598 30 20 CHED CC1CC(=NNc2ccc(C#N)c(C(F)(F)F)c2)C1 814828635 MNLKAEOTUBMACY-UHFFFAOYSA-N 267.254 3.775 30 20 CHED C=CCCCCOC(=O)c1ccc2c(c1)CCCC2=O 816088931 ACXJZKYSAIUVAS-UHFFFAOYSA-N 272.344 3.719 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 488484676 VHFXTLUMOJEIEK-WBMJQRKESA-N 272.392 3.671 30 20 CHED Cc1ccc2c(c1)CN(C(=O)c1ccc(Cl)c(C#N)c1)C2 579543478 NZSKCRKVZBNGHO-UHFFFAOYSA-N 296.757 3.676 30 20 CHED CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(C#N)o2)cc1 815439116 CIGKKORAKQMBPN-UHFFFAOYSA-N 296.370 3.940 30 20 CHED C=CCC(C)(C)CNCc1cc(C(OC)OC)ccc1F 818218034 XKJKVCOBARNYCI-UHFFFAOYSA-N 295.398 3.809 30 20 CHED Fc1ccc(C=NOC/C=C/Cl)cc1C(F)(F)F 811671078 NEEVDVMJVBSHRD-VYOGPGGTSA-N 281.636 3.948 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)C[C@H](C)C#N 488483570 JAEZELFZFCJHRC-BPLDGKMQSA-N 284.403 3.594 30 20 CHED C#CC[C@@H](N[C@@H]1CCc2cccnc2CC1)c1ccccc1 817580018 GKJRITYIVRRFOV-UYAOXDASSA-N 290.410 3.683 30 20 CHED Cc1nc(N2C[C@H](c3ccc(F)cc3)C[C@H]2C)ccc1C#N 488088956 YRDRKIYKYMVSPD-MLGOLLRUSA-N 295.361 3.783 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)c1nccc(C)c1C#N 577772618 CQHXHIPJEOFFQG-QGZVFWFLSA-N 295.386 3.858 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CC2(CCC2)C1 577495382 VJDHECDOAABTFD-KRWDZBQOSA-N 294.398 3.632 30 20 CHED CC1(C)CC[C@@H](C(=O)Nc2cc(C#N)c3ccccc3n2)C1 576070764 BIJGHOBIGWOOTL-GFCCVEGCSA-N 293.370 3.871 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@@H]1COc2ccccc2C1 729183945 ZRDOSPDNCUSEMF-GFCCVEGCSA-N 298.773 3.875 30 20 CHED C=CCC1(CNC(=O)[C@H]2CCO[C@H](C(C)C)C2)CCCC1 821830713 IMFBWYIXCMWMHP-HOTGVXAUSA-N 293.451 3.690 30 20 CHED C=CCN(CCc1ccco1)C(=O)CC1CCCCC1 490232998 AOZQPWZGTOQXGW-UHFFFAOYSA-N 275.392 3.807 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(F)c(OC)c1 666830216 PQIYLHNHPDEYEH-UHFFFAOYSA-N 280.343 3.701 30 20 CHED C#Cc1cccc(NC(=S)NC[C@@H]2CCC[C@@H](C)C2)c1 726475216 OIPWLQDDCXKIDU-UKRRQHHQSA-N 286.444 3.781 30 20 CHED CC[C@H](NCc1ccc2c(c1)OCO2)c1cccc(C#N)c1 902721168 VJXNMLMPOIMCFI-INIZCTEOSA-N 294.354 3.528 30 20 CHED C=C(CC)CNC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 825221623 UGWMZZBUANEOII-GJZGRUSLSA-N 296.455 3.578 30 20 CHED N#CC1(CN[C@H]2CCSc3ccc(Cl)cc32)CC1 903101792 MJDPIHZRGHQJDQ-LBPRGKRZSA-N 278.808 3.770 30 20 CHED N#CC1(CN[C@@H]2CCc3c(Cl)cccc32)CCC1 903031510 LDELSKQTBUXYCS-CQSZACIVSA-N 260.768 3.611 30 20 CHED Cc1csc(NC(=O)N(C)Cc2ccccc2)c1C#N 580990224 ABIGYZPWJMUZMH-UHFFFAOYSA-N 285.372 3.592 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCc1ccc(C)cc1C 495168751 CDWBBSTZNGIBLY-KRWDZBQOSA-N 286.419 3.596 30 20 CHED CC#CCCCc1nc(C(C)(C)c2cccc(F)c2)no1 580677720 YSKSOEVXHKLPRY-UHFFFAOYSA-N 286.350 3.881 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc(C(C)=O)cc1F 903138615 YNVWJMJQCVKMSE-NSHDSACASA-N 264.296 3.536 30 20 CHED CC(C)(C)Oc1ccc(NC[C@@H]2CCCOC2)cc1C#N 824721681 HFWVPOVXSJNNSK-ZDUSSCGKSA-N 288.391 3.574 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1snc(C)c1C#N 584248898 IZLYUQZWJWZKQD-FMIVXFBMSA-N 283.400 3.863 30 20 CHED CC(C)CN(C(=O)C1CCCC1)c1ccc(C#N)cc1 499321256 ZCUAFTGYCADZJA-UHFFFAOYSA-N 270.376 3.737 30 20 CHED COc1ccc2c(c1)C(C)(C)C[C@H]2NCC(C)(C)C#N 903101243 DHHLMDRYXMCDDH-OAHLLOKOSA-N 272.392 3.557 30 20 CHED O=C(c1ccc2c(c1)CCC=C2)N(O)Cc1ccc(F)cc1 901371458 COTWNKVAEVUILT-UHFFFAOYSA-N 297.329 3.817 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC[C@H](C3CC3)C2)c1 737415771 HHMVSFSAUYALFE-LBPRGKRZSA-N 273.336 3.963 30 20 CHED N#Cc1ccc(C(=O)OC[C@H]2CCCCC2(F)F)s1 835638010 LAOYSJYGVRIIPP-SECBINFHSA-N 285.315 3.602 30 20 CHED Cc1cnc2c(OCC3(C#N)CCC3)cccc2c1 902905297 PEXCVCSCWDKUNW-UHFFFAOYSA-N 252.317 3.616 30 20 CHED Cc1ccc2[nH]cc(C=NNCc3ccc(F)c(F)c3)c2c1 735613199 VLQDRPAZDXJCMX-UHFFFAOYSA-N 299.324 3.878 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@@H](C)CC[C@@H]2C)o1 834947699 IBYAIGKYTUSXPX-QWRGUYRKSA-N 274.368 3.894 30 20 CHED CCC(CC)C(=O)N(O)Cc1cccc2ccccc12 900091538 AMWSEKQFHWOHJP-UHFFFAOYSA-N 271.360 3.994 30 20 CHED CC(C)(C#N)CCCC[S@](=O)CC=C(Cl)Cl 905234077 ITQUVGRMLAEPMV-INIZCTEOSA-N 282.236 3.774 30 20 CHED COc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)ccc1Cl 839050773 CJPNCUGVGAOIOO-CMPLNLGQSA-N 293.750 3.588 30 20 CHED C=CCC[C@@H](Nc1ccc(CN(C)C(=O)O)cc1)C1CC1 833373637 VLRUANLXNIZYFS-MRXNPFEDSA-N 288.391 3.953 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cc(C)sc2C)cc1 589081434 ZPZWDERYDJEWLX-INIZCTEOSA-N 298.411 3.922 30 20 CHED C=CCCCOC(=O)[C@@H](C)CSc1ccccc1 735537149 VJFFLWAJIBFZJN-ZDUSSCGKSA-N 264.390 3.924 30 20 CHED CC(C)(C)c1cccc(C(=O)N(CCC#N)CC2CC2)c1 583271566 IWRPJQSGCQDUNN-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C=C(Cl)CN1CCC[C@H](CCC(=O)OC(C)(C)C)C1 839669234 DRFAZUSMZTXRQH-CYBMUJFWSA-N 287.831 3.573 30 20 CHED Clc1cccc2c1OCCCC2=NNC1CCCC1 733747697 QPBVHZJFADPNAO-UHFFFAOYSA-N 278.783 3.749 30 20 CHED C1=C([C@H]2CCCCC2=NNc2ccncn2)CCCC1 835000875 HZALKXDMTOKUCM-CQSZACIVSA-N 270.380 3.935 30 20 CHED CS[C@H]1CCCC(=NNc2nc3ccccc3n2C)C1 901169624 HXMIQEGBNHIMDW-LBPRGKRZSA-N 288.420 3.647 30 20 CHED N#CC1(CCCCn2ccnc2Br)CCC1 901593523 DMEQHNPTRIMEKR-UHFFFAOYSA-N 282.185 3.510 30 20 CHED C=C[C@@H](CC(=O)O[C@H](C)c1csnn1)c1ccccc1 836092435 XOUODTYTFKKBPW-NEPJUHHUSA-N 288.372 3.502 30 20 CHED C=CC[C@H](C)NC(=S)NC[C@@H](CC)CCCC 734985424 DSAVYKFZKMZVLE-STQMWFEESA-N 256.459 3.632 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(F)c2)c(C#N)c2n1CCC2 730085603 RADDMCXJXKRDKE-BQYQJAHWSA-N 294.329 3.650 30 20 CHED C=CCCC[C@@H](C)NC(=O)/C=C\c1ccc(Cl)nc1 588385840 MODOMNCIXOFFRE-VPUINMBXSA-N 278.783 3.609 30 20 CHED CCOc1ccc(/C=N/[C@@H]2CCC[C@@H](SC)C2)c(O)c1 735229445 ZOTLNLWXKHXOAU-DRMGDSRLSA-N 293.432 3.884 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)C1CCCC1 679326604 ZECASVZONJHBFU-CQSZACIVSA-N 275.392 3.663 30 20 CHED CCCCCCCCNC(=O)N[C@H]1C[C@@H](C)n2ccnc21 836374288 OEFNLYBBIQZYQK-KGLIPLIRSA-N 292.427 3.549 30 20 CHED N#CCc1cccc(NC[C@@H]2CCc3ccccc32)c1 834675034 AECGPIGVWDKCCZ-INIZCTEOSA-N 262.356 3.895 30 20 CHED CC(C)(C#N)c1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1 594508741 VMZXQVWVIZGHQP-HZPDHXFCSA-N 280.371 3.726 30 20 CHED CCN(CC[C@H]1CCc2ccccc21)C[C@@H](C)C#N 595305820 RKCKCEUIXIERDI-GOEBONIOSA-N 256.393 3.588 30 20 CHED CCC[C@H](C)C(=O)N(c1ccc(C#N)cc1)C1CCC1 598887263 VCFICYUWVQIOKJ-ZDUSSCGKSA-N 270.376 3.880 30 20 CHED Cc1cccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1C 839058352 RTPNDAHUEWAUTP-UONOGXRCSA-N 257.333 3.543 30 20 CHED Cc1ccc(CN/C(=N/CC(C)C)NC(C)(C)C)s1 912509640 MXHFNFPBZHRENF-UHFFFAOYSA-N 281.469 3.546 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@H]2C[C@@H]2C1 596511051 OJWTZXLNKCABRB-WDEREUQCSA-N 283.762 3.606 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 596166413 YDZKHYVZOUIJNU-ZDUSSCGKSA-N 285.391 3.663 30 20 CHED C=C(Cl)CNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 743620998 VDAHBIDHIMCIOO-QMTHXVAHSA-N 296.773 3.671 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)c1c(F)cccc1F 917558800 YWNOKGKLXCVAMZ-OVNPTBDBSA-N 291.297 3.859 30 20 CHED Cc1ccc(C)c(C=NNc2oc(C(C)C)nc2C#N)c1 745625684 ZDAWRUNBQMLVPA-UHFFFAOYSA-N 282.347 3.733 30 20 CHED Cc1ccc(C(=O)O[C@H](C)CC#N)c2ccccc12 842310956 QCSDJVNDQRQOML-GFCCVEGCSA-N 253.301 3.607 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1OC)C(C)C 919911502 PEFRCKHPHNQFGZ-UHFFFAOYSA-N 282.771 3.777 30 20 CHED Cc1cc(F)cc(C(=O)OCc2cc(C#N)ccc2F)c1 745568833 FMVBMPCIGDWIFP-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCC(C)(CC)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 591863373 OBGZFJKSJPIHCF-CYBMUJFWSA-N 272.392 3.904 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)/C=C\c1ccccc1C#N 742801107 CJWLNXVYCYZMMC-WFXOGFMASA-N 296.414 3.999 30 20 CHED CC[C@@H](C#N)C(=O)N(C1CC1)[C@H](C)c1ccccc1Cl 593415869 KKFXRSUCAVSNHI-NEPJUHHUSA-N 290.794 3.942 30 20 CHED CCCC[C@H](C(=O)NCc1cccc(C#N)c1)C(C)C 598659741 NABWENKJPQSOGH-INIZCTEOSA-N 272.392 3.637 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCCC(F)(F)C1 593049895 TWJOXDNMVWTBDK-UHFFFAOYSA-N 278.346 3.719 30 20 CHED CC[C@H](C#N)C(=O)N(CC)C[C@H](CC)c1ccccc1 593615915 HLQQURWWCCKNIR-CABCVRRESA-N 272.392 3.578 30 20 CHED N#CC1(CCN2CCC3(CC2)CC3(F)F)CCCCC1 593073977 ZSSVEQKKIXAKKO-UHFFFAOYSA-N 282.378 3.972 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2ccc[nH]2)cc1 917553026 WSVLRBALYQVQLN-CYBMUJFWSA-N 255.365 3.823 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1ccc(Cl)cc1 744044528 QQBZKVRQDDGEQE-LBPRGKRZSA-N 282.767 3.927 30 20 CHED COc1ccc(C=NNc2cccc(Cl)c2)cc1C#N 741757766 UJLXRCGCBDUBRR-UHFFFAOYSA-N 285.734 3.666 30 20 CHED CC1=CC(=NNC(=S)Nc2ccc(C)c(C)c2)CC1 915918957 FRLRHRKPXJZECX-UHFFFAOYSA-N 273.405 3.686 30 20 CHED CCCCCCCC(=O)NC[C@@H](OC)C(C)(C)C 744696892 CYXRVTLUDNPIGI-CYBMUJFWSA-N 257.418 3.524 30 20 CHED C=C(C)CON=C(C)c1nc2cc(Cl)ccc2n1C 844619078 UAVSYUFDCIVGAB-UHFFFAOYSA-N 277.755 3.543 30 20 CHED CCCCCC[C@H](C)NN=Cc1cnc(C)s1 743450908 TZNHHYXMKBWWIV-NSHDSACASA-N 253.415 3.734 30 20 CHED Cc1ccc(C#N)nc1N1CC[C@@H](c2ccccc2)[C@@H]1C 596154464 JSUBJDJBNVLDGZ-WMLDXEAASA-N 277.371 3.644 30 20 CHED CSc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)cc1 849243344 SCUZMIPQGIECOK-TWGQIWQCSA-N 298.411 3.911 30 20 CHED C=CCNC(=N)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 849008469 JXECWUACNOIHOB-UHFFFAOYSA-N 299.462 3.706 30 20 CHED C=C(Cl)COC(=O)Cc1c[nH]c2ccc(Cl)cc12 740302113 ZBIVPVBHFGBJPU-UHFFFAOYSA-N 284.142 3.660 30 20 CHED N#CCCNCc1ccc(-c2ccc(Cl)cc2)o1 917361093 OLGQYRRHWDQWQQ-UHFFFAOYSA-N 260.724 3.603 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cc(C)ccc2C)o1 749453429 SWQZJVLCLUGJMN-VURMDHGXSA-N 284.311 3.579 30 20 CHED CC[C@H](C#N)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 593421057 UWBBPVQYHMEJNC-QWHCGFSZSA-N 284.359 3.892 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCC[C@H]1c1cccc(C)c1C 593493530 OYBZRGBQIHHPGP-RDJZCZTQSA-N 284.403 3.907 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)CCc2c(O)cccc21 742433991 BVBRHBBOSCFAFX-ZRDIBKRKSA-N 268.287 3.744 30 20 CHED C#CCCCC(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 844842053 ZVCOCAOGIJSQPO-CYBMUJFWSA-N 289.806 3.632 30 20 CHED C=CCN(C(=O)N[C@H](CCC#N)c1ccccc1)C(C)C 749219994 HAZOMRWSSRXEAA-MRXNPFEDSA-N 285.391 3.637 30 20 CHED CC(C)O[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 593053072 BHCGYDXBXURCGC-MRXNPFEDSA-N 278.440 3.740 30 20 CHED Cc1ccc(C#N)nc1NCc1ccccc1COC(C)C 596073472 QPRKBGDRZRTYOV-UHFFFAOYSA-N 295.386 3.799 30 20 CHED Cc1nc(NCCC[C@H]2CC2(Cl)Cl)ccc1C#N 845747203 WFWJCELBBYQESJ-NSHDSACASA-N 284.190 3.648 30 20 CHED Oc1cccc2c1CCCC2=NNCCCc1ccccc1 743439792 MDGCDOSJWXYLFA-UHFFFAOYSA-N 294.398 3.655 30 20 CHED N#CC1(CC(=O)NC[C@@H]2CCCCC2(F)F)CCCCC1 597704769 NWYFDXDSYSWTFE-ZDUSSCGKSA-N 298.377 3.792 30 20 CHED C=C[C@H](C)ONC(=O)N(CC)[C@@H](CC)Cc1ccccc1 845629038 GXLSTXLXDMIJPQ-HOCLYGCPSA-N 290.407 3.545 30 20 CHED CCCCCCCC(=O)NCc1ccccc1NC(C)=O 741644110 NYFOAGYWPZPZOR-UHFFFAOYSA-N 290.407 3.622 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](CC(C)C)c1ccccc1C 593463924 CLKHCUKYDXLPPB-GOEBONIOSA-N 272.392 3.748 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)NCC1(C#N)CCC1 841466958 KWOMBIWIOKAHIU-FMIVXFBMSA-N 288.778 3.553 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCC(C)(C)c1ccccc1 684767751 RBYWINVEURRKLK-RDJZCZTQSA-N 273.420 3.535 30 20 CHED C[C@@H]1C[C@H](NCc2ccc(C#N)cc2)c2c(O)ccc(F)c21 756419949 VDZAQHBZLDTBOA-ABAIWWIYSA-N 296.345 3.741 30 20 CHED C[C@H](NN=C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 920386378 YYRRQGFCCPHZJO-JDKQQMTNSA-N 295.342 3.945 30 20 CHED C=CCNC(=S)N[C@H](c1cccs1)C(CC)CC 920995766 HTZJNJYNPCEHJX-ZDUSSCGKSA-N 282.478 3.876 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC(C2CCCCC2)CC1 921146661 CGWKLCCPFKVTIM-HNNXBMFYSA-N 293.451 3.787 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cc2ccccc2o1 755813751 HSDCDLXNKIKWAD-HNNXBMFYSA-N 259.305 3.700 30 20 CHED C#CCCCCC(=O)OCCc1ccnc2ccccc12 851302657 AJDFOEHBZNXHNH-UHFFFAOYSA-N 281.355 3.514 30 20 CHED C#CCN(C(=O)Nc1ccccc1CCC)C(C)C 929519509 KDTMCSLELKNGSC-UHFFFAOYSA-N 258.365 3.515 30 20 CHED C#CCCCNC(=O)CCCc1ccc(CC(C)C)cc1 754053840 XKAIPFAMTVIGBD-UHFFFAOYSA-N 285.431 3.737 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)Cc2c(F)cccc21 921264106 OSHVHCQEPKZVJN-CMDGGOBGSA-N 274.241 3.926 30 20 CHED C#CCCCC(=O)N(C)c1ccc(CCCC)cc1 758561837 NZIBSEXCNBMNPF-UHFFFAOYSA-N 257.377 3.796 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(C#N)cc1F 750938038 AFMFFETWYHGCEK-UHFFFAOYSA-N 271.270 3.591 30 20 CHED C/C=C(/C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 751372069 BFRVOVRKJBDUFD-DZHRUPLWSA-N 283.158 3.640 30 20 CHED CCC(=NNc1nc2ccccc2cc1C)c1ccn(C)n1 758126681 NAXWWJSYZCQLBL-UHFFFAOYSA-N 293.374 3.503 30 20 CHED CCCC[C@](C)(F)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 857629924 FSCGXJOKIDKHTO-DYVFJYSZSA-N 290.382 3.996 30 20 CHED Fc1cccc(NN=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 853344234 IOVKJZMIKXHVNI-NXEZZACHSA-N 289.276 3.987 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCc1ccc(F)cc1 851214195 OGBMZHFNJVBVDA-GFCCVEGCSA-N 277.339 3.630 30 20 CHED Cc1ccc2ccnc(NC(=O)C#CC(C)(C)C)c2c1 855094234 YFQVFQBNGCESTF-UHFFFAOYSA-N 266.344 3.531 30 20 CHED C[C@H](OC(=O)C[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 759472508 IPRXLCMKQMMBBY-VNHYZAJKSA-N 271.360 3.989 30 20 CHED CCCCCCCCCNC(=O)c1cccc2c1CNC2 852787127 PDTIUAAJDDTECB-UHFFFAOYSA-N 288.435 3.770 30 20 CHED COCCCC(C)=NNCc1ccc(C(F)(F)F)cc1 759202023 OMWPSPPRVAPIIT-UHFFFAOYSA-N 288.313 3.598 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC23CCC3)n1 759852276 XEUGBXCKXXALTF-MNOVXSKESA-N 274.389 3.633 30 20 CHED CC(C)(C)CCCC(=O)OCc1ccc(F)c(C#N)c1 758948640 YHLTWPOSHRQVMU-UHFFFAOYSA-N 277.339 3.957 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)s1)c1c(F)cccc1F 750397844 SEWNZNFRMKBEKS-QMMMGPOBSA-N 293.294 3.816 30 20 CHED CC1CC(C#N)(C(=O)OCc2cccc(C(F)(F)F)c2)C1 767432263 WGXUNKJQVOCLPZ-UHFFFAOYSA-N 297.276 3.688 30 20 CHED CCCCCCCNC(=O)Nc1ccc(NC(C)=O)cc1 860330604 HAGBAWKDIGMFEZ-UHFFFAOYSA-N 291.395 3.737 30 20 CHED CCn1nccc1/C=C\C(=O)c1cccc(C(C)C)c1 863195912 RDGKVAZOBMPWBV-HJWRWDBZSA-N 268.360 3.923 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H]2CCC[C@@H](C)C2)n1 768362756 PVVDUOJQKUFHRR-MWLCHTKSSA-N 266.776 3.662 30 20 CHED CC(C)N(CCC#N)C(=O)CC(C)(C)c1ccc(F)cc1 865081605 JFKKRUIWCXERNQ-UHFFFAOYSA-N 290.382 3.644 30 20 CHED CC[C@H]1CCCC1=NNc1ncnc2ccsc12 764840482 JBLRPHTUPRYZTE-VIFPVBQESA-N 260.366 3.669 30 20 CHED COc1cccc(/C=N/[C@H](C)c2cccc(F)c2F)c1O 766672216 NXLYHYIHSOFEAZ-XTTRTJGBSA-N 291.297 3.859 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1cccc(C#N)c1 761496508 XPFGVFPOYHJMCC-LBPRGKRZSA-N 259.349 3.674 30 20 CHED C=C(C)CCN1CCO[C@H](c2ccc(Cl)s2)C1 1342949421 LIQFZNDTNJCOBX-NSHDSACASA-N 271.813 3.741 30 20 CHED C#CCCCOc1ccc2c(C(C)C)cc(=O)oc2c1 766295964 UARUHYVHXABPOA-UHFFFAOYSA-N 270.328 3.709 30 20 CHED COc1ccc(C#N)cc1COC(=O)CC1CCCCC1 772244477 JFUWLQPXQYDMSJ-UHFFFAOYSA-N 287.359 3.580 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(F)(F)c1ccc(F)cc1 776016294 MTYOLDULVZIZNT-LLVKDONJSA-N 285.309 3.779 30 20 CHED COc1ccccc1CC(C)=NNc1cc(Cl)ccn1 777906372 IWEOYGHPHCBESG-UHFFFAOYSA-N 289.766 3.774 30 20 CHED C=C(CC)CS[C@@H]1CCCN(Cc2ccccc2)C1=O 773289390 ASJXSTBPPGFFKQ-MRXNPFEDSA-N 289.444 3.877 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(C(=O)CC)c1 776016051 LDAWCCYXLCYUMB-GFCCVEGCSA-N 291.366 3.893 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](CC)c1ccncc1 779953608 IPXCGERZKDVGDT-INIZCTEOSA-N 272.392 3.575 30 20 CHED C[C@H](CC#N)N(C)c1cc(-c2cccc(Cl)c2)ncn1 872470145 DMYBDJOJIRAFEN-LLVKDONJSA-N 286.766 3.535 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1cc(C#N)cs1 773126949 XCUYYCKGGOAWDI-ZDUSSCGKSA-N 261.394 3.512 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 1539317492 SDAFREZZKNAZPN-GJZGRUSLSA-N 278.440 3.990 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H]1C[C@@]1(C)C(C)C 774223707 AYDTXJVTRAJRSX-RDJZCZTQSA-N 271.360 3.592 30 20 CHED CCc1nc(C)c(NC(=O)/C=C\c2ccccc2C#N)s1 778176987 LFXTYBWXQAMIBT-HJWRWDBZSA-N 297.383 3.538 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ncc(Cl)s1 770636151 UGTPBFJBPIBLTP-UHFFFAOYSA-N 294.782 3.571 30 20 CHED C#C[C@H](N[C@H](C)c1ccc(-c2ccccc2)o1)[C@@H]1CCCO1 775573411 YHPKLRSQASTTOH-ALKREAHSSA-N 295.382 3.778 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 1124359522 MUSJLPLCVYIJTC-GWCFXTLKSA-N 276.767 3.976 30 20 CHED CCCN(C(=O)c1cc(C#N)ccn1)c1ccc(Cl)cc1 1126206092 KLJNBIFEAJZPII-UHFFFAOYSA-N 299.761 3.663 30 20 CHED C#CCCCCCC(=O)N(CC)c1ccc(F)c(F)c1 779831061 WQGOEBIDCAKFRT-UHFFFAOYSA-N 279.330 3.901 30 20 CHED COC(=O)c1ccccc1NN=Cc1ccc([C@H]2C[C@H]2C)o1 776189771 SGMBRUDPTTYVBV-RISCZKNCSA-N 298.342 3.636 30 20 CHED CC(C)(C#N)CN[C@H](c1cccc(Cl)c1)c1ccccn1 782174931 HYEVPKZDFRLNPN-MRXNPFEDSA-N 299.805 3.964 30 20 CHED C#CCCCCC(=O)OCc1ccc(SCC#C)cc1 788415576 HULDNAHZOUZQFB-UHFFFAOYSA-N 286.396 3.649 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O 787025127 DGYNNPMNFUKMQC-PIGZYNQJSA-N 296.345 3.741 30 20 CHED CCNc1ccc(C#N)cc1NCc1cc(F)cc(F)c1 783566582 IIQCZPNFZKWIDE-UHFFFAOYSA-N 287.313 3.880 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@H](C)c1ccc(F)cc1 1123582333 IDMHXXYFELJSRG-CYBMUJFWSA-N 263.356 3.947 30 20 CHED C=C1CCC(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)CC1 889298246 RUEKRALFPAHVOW-CRAIPNDOSA-N 299.414 3.721 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cc(-c2ccco2)on1 785755346 WWXIRZGFEYLQOE-HNNXBMFYSA-N 275.304 3.580 30 20 CHED Cc1cccc(CC(=NNCCc2ccncc2)C2CC2)c1 789094535 SUUUVURCWWERJZ-UHFFFAOYSA-N 293.414 3.531 30 20 CHED C#CCCCCCC(=O)N1CCCC2(CCCC2)C1 783848598 VTGSLXZGGLLBIM-UHFFFAOYSA-N 261.409 3.753 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(F)c1 780146503 CADUSWHVEGXTSM-LBPRGKRZSA-N 298.317 3.677 30 20 CHED C#CCN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 788028337 FZHAHZZCLQLSKR-UHFFFAOYSA-N 280.327 3.576 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cn3cc(C)ccc3n1)C2=O 789127047 HWSDVVOHPOIOBO-OQLLNIDSSA-N 288.350 3.774 30 20 CHED C=C1CC(c2noc([C@@H](O)[C@H](C)c3ccc(C)cc3)n2)C1 896875672 KQEQPUHZKBPFRL-DOMZBBRYSA-N 284.359 3.649 30 20 CHED CC1(C#N)CCC(NCCCOc2cccc(F)c2)CC1 898446121 XSLPMIQOPZATGB-UHFFFAOYSA-N 290.382 3.657 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1sccc1C 899355945 FTKYRQCAFSAZJY-AATRIKPKSA-N 261.346 3.811 30 20 CHED C=CC(C)(C)c1nc(-c2cc3c(nc2O)[C@H](C)CCC3)no1 896768354 ARSPWXXMEJCBDD-SNVBAGLBSA-N 299.374 3.741 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc3occc3c2)c1 794896275 KTWJLVJWVVDMIT-UHFFFAOYSA-N 286.281 3.835 30 20 CHED CC(=NNc1ncccc1C)c1ccc2c(c1)CCC2 790190832 MJUAARWDFVRWRY-UHFFFAOYSA-N 265.360 3.715 30 20 CHED CC[C@@H](C)CON=C(C[C@@H]1CCOC1)c1ccccc1 793146281 POHVBYWMFAJDFN-CABCVRRESA-N 275.392 3.880 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N=C1C[C@@H](C)ON1 1138003395 TWKBLJVGGUWCOI-OCCSQVGLSA-N 280.412 3.612 30 20 CHED CC[C@H](C)CON=Cc1cccc(OCCCC#N)c1 793160932 YBIHNNHCRQXFQG-AWEZNQCLSA-N 274.364 3.766 30 20 CHED C#C[C@H](CCC)NC(=O)N(Cc1ccccc1)CC1CCC1 791065774 WOFHWVXWKFAAGB-GOSISDBHSA-N 298.430 3.800 30 20 CHED CC(C)C1CCC(C=NNCCc2ccncc2)CC1 794938585 RJYLDCNENNEJBJ-UHFFFAOYSA-N 273.424 3.662 30 20 CHED N#CCOc1ccc(NC2CCC3(CC2)CC3)cc1 710145717 NSUZZTJTTUEDCB-UHFFFAOYSA-N 256.349 3.724 30 20 CHED N#Cc1ccc(CN[C@H](C2CCCC2)C2CC2)c(F)c1 590777883 WBEKMFLZAQISIA-QGZVFWFLSA-N 272.367 3.756 30 20 CHED C=CCCSCCN[C@H](C)c1ccncc1Cl 595061077 YEUWYLIWTGDGDV-LLVKDONJSA-N 270.829 3.695 30 20 CHED C#CCN(C(=O)CC1=CCCCC1)C1CCCCC1 688787448 GWFVDPSSYIVRGB-UHFFFAOYSA-N 259.393 3.671 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1CCCC(C)(C)C1 755697964 AOXLWDICNXMULM-CQSZACIVSA-N 264.413 3.601 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCCN1Cc1ccccc1 695858739 JGFLDQZQQWUJKT-AEFFLSMTSA-N 299.462 3.569 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2[nH]ccc2c1 1308391198 VHMKJUNIRXDAHH-LJQANCHMSA-N 287.366 3.817 30 20 CHED O=C(CC#Cc1ccccc1)OCCCCC(F)(F)F 1319519355 UAQQYZJVHLEMOV-UHFFFAOYSA-N 284.277 3.704 30 20 CHED C=C[C@H](COC)N[C@H]1CC=C(c2ccc(F)cc2)CC1 1320313371 TWCFFUPMCCAQIF-SJORKVTESA-N 275.367 3.552 30 20 CHED C=CC(C)(C)CNC(=O)c1cc2cccc(F)c2o1 1325048793 XLQVDMZMHWGEOM-UHFFFAOYSA-N 261.296 3.514 30 20 CHED CC(C)CCN(CCC(C)C)c1ncc(C#N)cc1F 1184793196 XZVDIHNIVMKVCV-UHFFFAOYSA-N 277.387 3.991 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)C1CCCC1)c1ccc(Cl)s1 1334282785 WSBNUULYABYULM-ONGXEEELSA-N 296.823 3.704 30 20 CHED CC(C)[C@H](CNc1ncc(C#N)cc1F)c1ccccc1 1184793177 XIOOOAZGWHQDGE-HNNXBMFYSA-N 283.350 3.944 30 20 CHED N#CC[C@@H](OC(=O)c1cccc(C2CC2)c1)c1ccco1 1344936358 KQTBFBYKZLTMHV-MRXNPFEDSA-N 281.311 3.969 30 20 CHED CCOc1ccc([C@H](C)OC(=O)c2cc(C#N)oc2C)cc1 1355067218 WDMXQHVCCJXADX-NSHDSACASA-N 299.326 3.776 30 20 CHED CCCCCCCC(=O)N[C@@H](C#N)C1CCCCC1 103488034 CDMCYQMJSGZRJZ-HNNXBMFYSA-N 264.413 3.936 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1cc2cccc(Cl)c2s1 1436530971 WXCAIXFURSKTFU-QMMMGPOBSA-N 278.764 3.539 30 20 CHED Cc1cc(Nc2ccc(OC(F)F)c(F)c2)ncc1C#N 1458114931 WAMOHLYXGPWCGT-UHFFFAOYSA-N 293.248 3.746 30 20 CHED C[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1523612720 SUOSOXGRRSBKQM-LLVKDONJSA-N 284.746 3.954 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1cc(C(=O)O)co1 1609556709 GWYPCXVXPAVOCU-UHFFFAOYSA-N 296.685 3.606 30 20 CHED C=CCC[C@H](NCc1cccc(C(=O)O)n1)c1ccccc1 1609324660 IVLWJADFIRJCNK-INIZCTEOSA-N 296.370 3.577 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccccc1-c1ncco1 1530181157 BWEFQUSVNDPUDJ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC(C)CC(C)(C)CNC(=O)[C@H](CC#N)c1ccccc1 1534028234 YJBSHGZXIOXDSR-MRXNPFEDSA-N 286.419 3.872 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1ccc(F)cc1C 1548691725 AGLRWOFEHNYUSR-UHFFFAOYSA-N 263.356 3.695 30 20 CHED CC(C)(C)C[C@H]1CCN(c2ccc(C#N)cn2)C1(C)C 1472832714 KOEWJEVIMBKRKX-CQSZACIVSA-N 271.408 3.994 30 20 CHED Cc1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)cc1C#N 1472248564 NYWJOBXRZTWNLY-JKSUJKDBSA-N 282.387 3.517 30 20 CHED Cc1ccc2cc(C(=O)Nc3cccc(CC#N)c3)[nH]c2c1 1624308172 UEPQZSMSSSKWPQ-UHFFFAOYSA-N 289.338 3.795 30 20 CHED Cc1nnc(S[C@@H]2CC[C@@H](C#N)C2)n1C1CCCCC1 1559316596 RYILJWYZNHWSQE-TZMCWYRMSA-N 290.436 3.876 30 20 CHED Cc1ccc(F)c(CN[C@H](C)c2ccc(C#N)cc2)c1 227282919 RURULIWLRKZYPS-CYBMUJFWSA-N 268.335 3.857 30 20 CHED COc1cccc2c1CCCCN2C[C@@H](C)CCC#N 1560861406 NJCCQDFXIBGFEO-AWEZNQCLSA-N 272.392 3.778 30 20 CHED C=CCN(CC=C)[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1 211520261 WQFNFVVENNSNMG-ZDUSSCGKSA-N 299.292 3.505 30 20 CHED Cc1cc(C#N)nc(N2CCC[C@H]2CCC2CCCCC2)n1 1639642732 HQTZCVCFZONFLI-KRWDZBQOSA-N 298.434 3.986 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@@H]1c1ccc(F)cc1 1641050181 UEGQCBNXBDQKAG-QGZVFWFLSA-N 294.329 3.593 30 20 CHED CCn1nc(CNc2cc(F)cc(C#N)c2)c2ccccc21 1651427815 LTGNKUOFPYKEED-UHFFFAOYSA-N 294.333 3.679 30 20 CHED Cc1cc(N[C@H](C)c2ccc3c(c2)CCC3)ncc1C#N 1650932190 HVWNBDXFFPTTCI-CYBMUJFWSA-N 277.371 3.924 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cc1F)c1cccnc1 1587361976 RUBFFRRTBOFUDS-UHFFFAOYSA-N 297.333 3.539 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](N)[C@H](CC)C1 134123160 JOEHLQOEUXGADY-HZPDHXFCSA-N 282.472 3.713 30 20 CHED N#Cc1ccc(F)c(COc2cccc(Cl)c2)c1 19804903 OQTIOXDVEKDEAA-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=CCN(C(=O)CCCc1c[nH]c2ccccc12)C1CC1 162440095 FWZKLWVXYNDUNN-UHFFFAOYSA-N 282.387 3.668 30 20 CHED N#Cc1ccc(OC(=O)C2(Cc3ccccc3)CC2)c(F)c1 158036059 XIMFZDYRQLODRE-UHFFFAOYSA-N 295.313 3.626 30 20 CHED CSCC[C@@H](C)Nc1ccc(C#N)cc1Br 160528156 LBHNCPUAFZTZOP-SECBINFHSA-N 299.237 3.874 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 163629746 HQOOOBRVXZQTDC-OAHLLOKOSA-N 272.392 3.627 30 20 CHED N#Cc1ccc(COc2ccc(Cl)nc2)c(Cl)c1 163849692 IRQNDYAPJXQNCI-UHFFFAOYSA-N 279.126 3.839 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)n(C)n1 165456425 OEJAALMSILASOU-DHZHZOJOSA-N 282.387 3.922 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C)c2c(C)noc2C)cc1 168189728 NEYNGWAGSLDLBH-CHWSQXEVSA-N 298.386 3.715 30 20 CHED N#CCCCN1C[C@@H]2CCCC[C@]21c1ccccc1 152523404 YWTKHGHJKIWSFK-IRXDYDNUSA-N 254.377 3.691 30 20 CHED CCN(C(=O)C[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 152297214 HWEYPTOMAWVJMP-ZDUSSCGKSA-N 272.392 3.983 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C#N)c(Cl)c1 154313109 MJHCXXWERVNWLM-JTQLQIEISA-N 288.734 3.638 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)cc2)c(C)c1 6338481 XTEVSBWOMXDTLN-JXMROGBWSA-N 252.313 3.905 30 20 CHED Cc1cc(Cl)cc(C(=O)N(C)c2cccc(C#N)c2)c1 123529267 ZLPOXMWAHMPPOH-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CCc1nnc(Sc2cccc(C)c2)c(C#N)c1CC 125405289 ZDSORVIZAJKFTN-UHFFFAOYSA-N 283.400 3.933 30 20 CHED C=CCN(Cc1nc(-c2cccc(Cl)c2)no1)C(C)C 917071333 RGEFGCKNUJREBC-UHFFFAOYSA-N 291.782 3.786 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCC1CC(OC(C)(C)C)C1 926284316 CBOXMGSREPNZOH-NFOMZHRRSA-N 280.456 3.888 30 20 CHED COc1cc(CNCc2cccc(Cl)c2)ccc1C#N 234927991 PJMUAUKVLHLMHW-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C=CCOc1ccccc1CNCc1cccc(F)c1 35254853 WFRFGDKVXKNDHL-UHFFFAOYSA-N 271.335 3.680 30 20 CHED CC(C)(C)CN(Cc1ccccc1)C(=O)C(C)(C)C#N 264014480 DKFCAYLPRUOLQB-UHFFFAOYSA-N 272.392 3.611 30 20 CHED C=CCN(CCc1c(C)noc1C)Cc1ccccc1 164636819 TVHWSFQQDIXQIE-UHFFFAOYSA-N 270.376 3.522 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1cccc(C#N)c1 48150153 OYBMTEGQRHGXAJ-UHFFFAOYSA-N 258.365 3.503 30 20 CHED Cc1ccc(OCCOc2ccc(C#N)cc2)c(Cl)c1 54351181 FGOLBKGDJLKBIV-UHFFFAOYSA-N 287.746 3.978 30 20 CHED C[C@H](NC[C@@H]1CCC[C@H]1C)c1ccc(OCC#N)cc1 300328646 PECFOPDGWBITSZ-YCPHGPKFSA-N 272.392 3.676 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(C)c1ccccc1C#N 308088551 NGEOFMIEHHSOFH-CQSZACIVSA-N 272.392 3.983 30 20 CHED N#CCCCNCc1ccccc1OCc1ccccc1 309852347 BDTSMTBITWXENC-UHFFFAOYSA-N 280.371 3.659 30 20 CHED Cc1nc(N2CC[C@@H]3CCCC[C@@H]32)c(Cl)cc1C#N 311681523 IWLZVKDFZGQZHJ-FZMZJTMJSA-N 275.783 3.684 30 20 CHED COc1cc(F)cc(CNc2ccc(CC#N)cc2)c1 312262603 OHMCLLISLCGVHM-UHFFFAOYSA-N 270.307 3.512 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccc([N+](=O)[O-])cc2)c1 383742569 SKCNHCHZVUAQTK-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C=CCOC(=O)c1oc2ccc(Cl)cc2c1C 807599253 IUIBWRXKDLCWRJ-UHFFFAOYSA-N 250.681 3.737 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cnn(-c2ccccc2)c1 393817247 YRTSLRCGQSPTRP-HOCLYGCPSA-N 269.392 3.878 30 20 CHED N#CCCN(C/C=C/c1ccccc1)Cc1ccco1 505762679 OVSNTLSYUSFNEI-RUDMXATFSA-N 266.344 3.709 30 20 CHED Cc1cccc(NC(=S)Nc2cccc(C#N)c2)c1C 6329246 VLKPVLHFWLAERS-UHFFFAOYSA-N 281.384 3.984 30 20 CHED CC[C@@H](CC#N)NCc1ccc(Cl)c(Cl)c1 54182201 PAEAUTTWIOZTIC-JTQLQIEISA-N 257.164 3.775 30 20 CHED CCc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 10754984 NIGNYMMBUMKINF-UHFFFAOYSA-N 278.355 3.692 30 20 CHED N#Cc1cccc(CNCc2ccc(C(F)(F)F)s2)c1 428872725 SFULZLYTANRSSM-UHFFFAOYSA-N 296.317 3.928 30 20 CHED C=CCN(C(=O)c1sc(Cl)nc1C)c1ccccc1 177612697 IJSIDVIFZNKXSR-UHFFFAOYSA-N 292.791 3.938 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)c2cccs2)n1 177775292 YYKCPLGDUHSTCS-VIFPVBQESA-N 276.386 3.818 30 20 CHED N#CCCN(Cc1c(O)ccc2ccccc12)CC1CC1 103459674 QDDBCSWSWKXBFK-UHFFFAOYSA-N 280.371 3.671 30 20 CHED CCN(CCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 20261067 JPNPUGGCCMAAPJ-UHFFFAOYSA-N 299.418 3.541 30 20 CHED N#Cc1cn(CCCC2CCCC2)c2ccccc2c1=O 178472349 LPASVYAIEBMSFK-UHFFFAOYSA-N 280.371 3.844 30 20 CHED CN(CCCNc1cccc(F)c1C#N)C1CCCCC1 58666369 AZEAVFFVKZALHL-UHFFFAOYSA-N 289.398 3.764 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 117454789 MONSGEGJEUKYRQ-LBPRGKRZSA-N 289.354 3.741 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccccc1F 60168257 BVCTVQLEGZIROF-UHFFFAOYSA-N 271.310 3.600 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](CC)c1ccc(Cl)cc1 69336705 AMWOGCDFXGBNKS-WFASDCNBSA-N 295.810 3.889 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(c1ccc(C#N)cn1)CC2 302051653 OGBNDIGWOSURNK-UHFFFAOYSA-N 291.398 3.813 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1ccccn1 114617799 CYQYSUCADSVWEJ-ZFWWWQNUSA-N 270.376 3.864 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1cnc(Cl)cc1C#N 1262797460 OMFKGXYKHJLUEM-QWRGUYRKSA-N 291.782 3.762 30 20 CHED C#Cc1cccc(NC(=O)c2c(C)[nH]c3ccccc23)c1 25614039 DGXYSXBWFWFIRB-UHFFFAOYSA-N 274.323 3.710 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H]1CCC[C@@H](C)C1 303830053 GMHOLRCACODWOT-HUUCEWRRSA-N 287.403 3.694 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1CC(F)(F)F 174014066 MKMMSVYEIIWMHX-JTQLQIEISA-N 286.297 3.878 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)nc2)CC[C@H]1c1ccccc1 301509564 AITMMJJLXMADSQ-DNVCBOLYSA-N 291.398 3.973 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1cccc(F)c1C#N 301373301 UNVKOEWGUQNFTD-XUJVJEKNSA-N 258.340 3.855 30 20 CHED CSc1ccc(C(=O)/C=C/c2cnc3ccccn23)cc1 119124360 OHQWDVQCUONNCF-JXMROGBWSA-N 294.379 3.952 30 20 CHED Cc1ccc(C)c(S(=O)(=O)/N=C(\O)C2(C)CCCC2)c1 69579238 XIGVSEKSJJHHQY-UHFFFAOYSA-N 295.404 3.529 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 24690079 NGWZGIRLZQRDSQ-UHFFFAOYSA-N 270.719 3.965 30 20 CHED CC[C@@H](C#N)OC(=O)CCCCCc1ccc(OC)cc1 176012105 RGZMRDGSOIMFIK-HNNXBMFYSA-N 289.375 3.643 30 20 CHED C=CCCSc1nc2ccccc2c(=O)n1CCCC 303795624 KQIGALUURODQLZ-UHFFFAOYSA-N 288.416 3.865 30 20 CHED CC(C)(C)[C@@H](Nc1ccc(C#N)nn1)c1ccccc1 301958760 LRNOSMFUYYHHCT-HNNXBMFYSA-N 266.348 3.548 30 20 CHED C[C@H](c1cccc(O)c1)N(C)CC#Cc1ccc(F)cc1 121276663 UQIAYIQITAYBAB-CQSZACIVSA-N 283.346 3.576 30 20 CHED CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(C#N)cc1 121117169 QXXOFWCWXXRDHV-INIZCTEOSA-N 294.358 3.568 30 20 CHED Cc1cc(CNCc2ccc(Cl)cc2)ccc1C#N 443981542 OZERLCFPLJXEDB-UHFFFAOYSA-N 270.763 3.810 30 20 CHED CC(C)Oc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 38207380 VMHCTRGHVJRGLY-UHFFFAOYSA-N 295.342 3.989 30 20 CHED C[C@@]1(C/N=C/c2cc3ccccc3nc2O)CCCS1 121017173 CZRRPGICXFZVNY-KFXAOSDLSA-N 286.400 3.645 30 20 CHED CCc1nnc(Nc2ccc(C)c(C)c2)c(C#N)c1CC 124891949 LIEZOOXNWVTLSE-UHFFFAOYSA-N 280.375 3.834 30 20 CHED C=CCN(C)Cc1csc(-c2ccc(F)cc2)n1 121470331 DBMUKUKNAUWNRO-UHFFFAOYSA-N 262.353 3.567 30 20 CHED CCCc1nnc(S[C@@H](C)c2cccc(C#N)c2)o1 189857328 RAUMWZJKMVDJCK-JTQLQIEISA-N 273.361 3.747 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](CCC)Cc1ccccc1 185449545 RJOJLEVVFVXADM-MRXNPFEDSA-N 271.404 3.564 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2cccc(Cl)c2C#N)CCO1 450426144 VVCBNWPUBWEKIE-ABAIWWIYSA-N 278.783 3.827 30 20 CHED Cc1cccc(CNc2ccccc2O[C@@H](C)C#N)c1 182544072 KOHGTQWWUARFRF-AWEZNQCLSA-N 266.344 3.898 30 20 CHED C/C=C(\C)C(=O)[C@H](C#N)C(=O)Nc1ccc(CCCC)cc1 127851169 XLAUZXBWCLHYFA-RBBXRFMQSA-N 298.386 3.643 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](CC)c1ccc(F)cc1F 125898412 RVVQFPQWNVRATB-NHYWBVRUSA-N 297.345 3.513 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)[C@H](C#N)c1ccccn1 123961136 YHCJOVVKGSRFFO-IAGOWNOFSA-N 292.382 3.773 30 20 CHED N#Cc1ccc(Cl)cc1NCCCNc1ccccn1 180410849 WCZZZRZGYOTSNF-UHFFFAOYSA-N 286.766 3.521 30 20 CHED C=CCCN(C)C(=O)c1sc2ccc(C#N)cc2c1C 505106388 YFDDCUVAUFFTOG-UHFFFAOYSA-N 284.384 3.730 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCCCC3)cn2)C1 185790860 ZRUADICHYVMEBN-CABCVRRESA-N 284.407 3.566 30 20 CHED Cc1ccc(OCCCNc2ccc(C#N)cc2F)cc1 507033796 GXRCIKPYFWMDLK-UHFFFAOYSA-N 284.334 3.887 30 20 CHED C=C(C)[C@H](N[C@@H](COC)C1CC1)c1ccc(F)c(F)c1 186448434 HIZFBWRONOURDN-HOTGVXAUSA-N 281.346 3.597 30 20 CHED CC(C)CCN(C(=O)Nc1ccc(F)c(C#N)c1)C1CC1 77500194 CDEBBURJSWFVQZ-UHFFFAOYSA-N 289.354 3.740 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2C)cc1OC 213700698 JKMRTOZNTGQUBG-NTMALXAHSA-N 282.339 3.908 30 20 CHED C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCCCC#N 189496007 GHZBNDVWOQLMSS-CZUORRHYSA-N 292.810 3.796 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(C(F)(F)F)CC1 75969206 NXSWYWXBIOYYMT-LLVKDONJSA-N 282.309 3.894 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 183813227 MNGPUZLLRMLFIZ-BMGDILEWSA-N 292.382 3.752 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 410877327 POHQJKUAFDETTD-OAGGEKHMSA-N 284.403 3.625 30 20 CHED CCc1ccc(NC(=O)c2cccc(C#N)c2C)cc1C 509306886 RJRJZPYOBZBQMO-UHFFFAOYSA-N 278.355 3.990 30 20 CHED C=C(C)COc1cc(CN(CC)CC(F)F)ccc1OC 184086926 LWTRHLFSKPVQCC-UHFFFAOYSA-N 299.361 3.737 30 20 CHED C[C@@H](NCC#N)c1ccc(OCc2ccc(F)cc2)cc1 182012446 ORNICJXTMFHFIX-CYBMUJFWSA-N 284.334 3.579 30 20 CHED N#Cc1ccc(F)c(COc2cccc(C(F)(F)F)n2)c1 131195908 WXPYTPCCJKFCQZ-UHFFFAOYSA-N 296.223 3.690 30 20 CHED CN(Cc1ccc(C#N)cc1Br)C1CCCC1 180922782 MPKXJWQHGUEXDP-UHFFFAOYSA-N 293.208 3.695 30 20 CHED C[C@@H](c1c(F)cccc1F)N(C)Cc1ccc(C#N)o1 507252163 LXNHXNLCUMIUSG-JTQLQIEISA-N 276.286 3.622 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(Br)c2)C1 379814632 QUPMORKZMUFVRJ-JOYOIKCWSA-N 265.154 3.553 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)s1 48976264 NONDGFIBSSECGH-UHFFFAOYSA-N 286.356 3.579 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc(Br)s1 48417663 BTNBSEOTFUKVBW-ARJAWSKDSA-N 294.173 3.802 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccnc1 43785848 DSCWFVZRGQFXNH-HNNXBMFYSA-N 295.386 3.540 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cccc2ccsc12 410833723 IAFKZQGGNSVWGS-LBPRGKRZSA-N 272.373 3.666 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1/N=C(/O)c1csc(O)n1 329909599 MPQUGCSXWJBBKV-ZJUUUORDSA-N 282.409 3.758 30 20 CHED CC[C@H]1CCN(c2ccc(Br)cc2C#N)C1 130465587 QJRNBKCBQPCMAH-JTQLQIEISA-N 279.181 3.557 30 20 CHED Cc1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc1Cl 612036809 RBIDGDDXTBVNEF-HNNXBMFYSA-N 291.782 3.806 30 20 CHED CCCCCCCC(=O)Nc1ccccc1-n1ccnn1 195634749 DRRJBAZYKILCMP-UHFFFAOYSA-N 286.379 3.566 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)O[C@H](C#N)C3CC3)oc12 80395508 BURGBLCNUZATRY-CYBMUJFWSA-N 283.327 3.817 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)ccc1OC 191792382 CNYRBOLJBBRNDS-CQSZACIVSA-N 267.756 3.889 30 20 CHED N/C(=N/OCc1ncc(-c2ccccc2)o1)C1CCCCC1 89126303 AEPFVCOAYBRHCC-UHFFFAOYSA-N 299.374 3.711 30 20 CHED CCC(CC)(CC)NC(=O)N[C@@H](C)c1cccc(C#N)c1 80588505 YUUHYDMFJSOOHC-ZDUSSCGKSA-N 287.407 3.887 30 20 CHED OC(CC1(O)CCCCC1)=Nc1ccccc1-c1cn[nH]c1 329553805 DIIYDWZXSIPFIT-UHFFFAOYSA-N 299.374 3.750 30 20 CHED Cc1cccc(C)c1CCNCc1ccc(C#N)s1 132686007 VHROYDGSSWHYMY-UHFFFAOYSA-N 270.401 3.569 30 20 CHED Cc1cc(C(=O)Nc2ccc(CC#N)cc2)c(F)cc1F 134859286 NXWJULXAIFSGGV-UHFFFAOYSA-N 286.281 3.592 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnn([C@@H](C)CC)c1C 424803353 MEIQWIPEHLUHIA-NSHDSACASA-N 263.385 3.703 30 20 CHED Cc1ccc(-c2nnc(NCc3ccc(C#N)cc3)o2)s1 195007456 GFSKJHGLLZDLKH-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 424881303 XLLPDOCJJWUXJY-INIZCTEOSA-N 286.419 3.776 30 20 CHED CC(C)C[C@@H](Nc1cncc(C#N)n1)c1ccccc1 420593160 WZUAIWBHSGDJPA-OAHLLOKOSA-N 266.348 3.548 30 20 CHED C=CCOc1cccc(NC(=O)Nc2nc(C)cs2)c1 49211360 MKYDWMVDPNMLKP-UHFFFAOYSA-N 289.360 3.660 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(-c2ccoc2)c1 89641497 VUDOZGUUSPULNR-UHFFFAOYSA-N 269.344 3.985 30 20 CHED CCC[C@H](C)CC(=O)N(CCC#N)CC(CC)CC 519156445 LAAUAQHMLBTZTC-AWEZNQCLSA-N 266.429 3.991 30 20 CHED Cc1cccc(CCC(=O)Nc2ccc(F)cc2C#N)c1 135157209 QRQGGWZPQRITCF-UHFFFAOYSA-N 282.318 3.577 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccccc1Cl 42120002 CJFZSHNNHMVYAB-GFCCVEGCSA-N 281.783 3.532 30 20 CHED CN(Cc1ccsc1)c1cccc(Cl)c1C#N 48936509 HHAKYYLYIBWVGT-UHFFFAOYSA-N 262.765 3.910 30 20 CHED N#Cc1c(Cl)cccc1SCC1(CC(=O)O)CC1 88113142 ADTUOSYSONPMBB-UHFFFAOYSA-N 281.764 3.559 30 20 CHED O/C(=N/C1CCC(/C(O)=N\[C@@H]2CC=CCC2)CC1)C1CC1 330074993 GADPGCJNMFKIIO-SHARSMKWSA-N 290.407 3.977 30 20 CHED C=C(C)CNC(=O)c1cccn1[C@@H](C)Cc1ccccc1 427952196 QPCUVTXXQBTGAB-HNNXBMFYSA-N 282.387 3.598 30 20 CHED C=CCC[C@@H](NC1CC(CC(=O)OC)C1)c1ccccc1 424306024 UFELAHKNRARMKU-BDVYOWHSSA-N 287.403 3.625 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)C12CC3CC(CC(C3)C1)C2 194080089 CMRFDENRICHIGD-QAICXNGDSA-N 285.435 3.624 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c(OC)c1 194891453 JCUCFWGZZRVZNI-CQSZACIVSA-N 267.756 3.889 30 20 CHED CC(=O)c1ccc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)cc1C 331304056 UBYLTRQLVHRRJX-GXFFZTMASA-N 274.364 3.712 30 20 CHED CC(C)[C@@H]1N(C(=O)c2ccc(C#N)s2)CC12CCCC2 334771784 SEBAQOVLXJBRRW-AWEZNQCLSA-N 288.416 3.661 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2ccccc2C)SC1=S 192692298 UHPZNWRGRLPLRK-JYRVWZFOSA-N 289.425 3.772 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H](c2ccc(F)cc2)c2ccccn2)C1 424329568 PMPXBIZKSYBKNO-XCRHUMRWSA-N 295.361 3.592 30 20 CHED CCCN(C)C(=O)c1ccccc1-c1ccccc1C#N 337106909 SOWRDROEYGMGLC-UHFFFAOYSA-N 278.355 3.707 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc2ccsc12 332900526 NZCXDKFUJRKCSL-NEPJUHHUSA-N 285.372 3.715 30 20 CHED C[C@@H](SCc1nc(C(F)F)no1)c1cccc(C#N)c1 424117587 BOBFYYVDNGZNHU-MRVPVSSYSA-N 295.314 3.873 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC1(C)CCCCC1 510180470 JVYSFMHLZVHVKN-UHFFFAOYSA-N 270.376 3.567 30 20 CHED N#Cc1cccc(C2(C(=O)Nc3ccccc3Cl)CC2)c1 336426575 LTRHYZODXYMFKR-UHFFFAOYSA-N 296.757 3.882 30 20 CHED C/N=C(/O)c1cccc(NC(=O)C[C@@H]2CCC[C@H](C)C2)c1 330383286 JQLQRIAXVPJQOW-QWHCGFSZSA-N 288.391 3.776 30 20 CHED C=CCOCCN(Cc1ccc(Cl)cc1)C1CC1 338916773 UQBNHWHCEXAQJT-UHFFFAOYSA-N 265.784 3.507 30 20 CHED N#CC1CCC(CNC(=O)CC2CCCCCC2)CC1 332030789 RYIHFAFNUNIIOS-UHFFFAOYSA-N 276.424 3.793 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 332735336 XVPJRJONCUITMN-DLTWYDFYSA-N 276.424 3.647 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@H](F)C1 515349438 KCILWDQYWRZKCL-QWHCGFSZSA-N 296.411 3.726 30 20 CHED CC1(C)C[C@]1(C#N)/N=C(/O)C(C1CCC1)C1CCC1 330157950 PSJGAHYUCAWJPG-MRXNPFEDSA-N 260.381 3.852 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCc2c(Cl)cccc21)OCC 339440731 ZTAXMMHGMTUJSC-OAHLLOKOSA-N 293.794 3.600 30 20 CHED CC[C@@H]1C[C@H]1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 331913885 DJSIYASAFKHXDM-SMOJQAGNSA-N 276.424 3.647 30 20 CHED CCN(C(=O)C1C(C)(C)C1(C)C)c1ccc(C#N)cc1 337978915 LYGQCXBOEKLGFH-UHFFFAOYSA-N 270.376 3.593 30 20 CHED N#Cc1cc(NCc2cc3c(F)cccc3[nH]2)ccc1F 432427317 YEMVEYGCLHTZEE-UHFFFAOYSA-N 283.281 3.930 30 20 CHED C=CCC[C@@H](N[C@@H]1CCOc2c(F)cccc21)C1CC1 437090059 AWYHOWBORUXIBJ-HZPDHXFCSA-N 275.367 3.984 30 20 CHED CSc1ccsc1C(=O)Nc1ccccc1CC#N 344378841 CGJSJODEODVIRC-UHFFFAOYSA-N 288.397 3.788 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 529240265 AJMPRYLCOJWYPQ-UONOGXRCSA-N 290.794 3.642 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cncc2ccccc12 343928757 WMYGXLLZMVIHRL-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)c1cc(N2CCC(F)(C#N)CC2)nc(C(C)C)n1 343234933 CWJWWBWMVQEJHM-UHFFFAOYSA-N 290.386 3.555 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)C2(c3cccc(C#N)c3)CC2)C1 435041449 ITLKCWPMXFBSGZ-PBHICJAKSA-N 296.414 3.627 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@H](CCC#N)c1ccccc1 248917064 DHMBGNGAIVTJHG-HYVNUMGLSA-N 284.403 3.974 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)c1cc2ccccc2o1 436067397 GCDFVIRPCRUKJL-JTQLQIEISA-N 294.310 3.697 30 20 CHED C=C(CNC(=O)[C@H](SCC)C(C)C)c1ccccc1 345708254 HQQLTZIFDKHBJS-OAHLLOKOSA-N 277.433 3.594 30 20 CHED CC(C)(C#N)CCCCn1c(=O)oc2cc(Cl)ccc21 436208072 UMKNQUWCIHYNAH-UHFFFAOYSA-N 292.766 3.968 30 20 CHED CCC(C#N)(CC)c1nc(Cc2ccc(Cl)cc2)no1 528063166 HNSSUADEHCJIRO-UHFFFAOYSA-N 289.766 3.895 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCC(C)(C)C[C@H]1C 528784755 PYAOSLKOSXFBRK-OLZOCXBDSA-N 264.413 3.647 30 20 CHED CC(C)(C#N)CCSCc1cccc(C#N)c1F 342014776 GXWVTHHYRMSGDW-UHFFFAOYSA-N 262.353 3.870 30 20 CHED C[C@H]1CCN(Cc2cccc(C#N)n2)[C@@H](c2ccco2)C1 602482719 QCBHJYNAAAUQHC-XJKSGUPXSA-N 281.359 3.519 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1CSc2ccccc21 432557396 LOBSGEAZKBAASU-ZDUSSCGKSA-N 290.432 3.735 30 20 CHED Cc1cccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 342607348 RHCSFHOESZHWFR-RTBURBONSA-N 291.398 3.662 30 20 CHED C[C@H](CCC#N)CNc1ccccc1OCC(F)F 602493205 QNLCCHMQBJWWKX-LLVKDONJSA-N 268.307 3.682 30 20 CHED COCc1cc(C#N)ccc1NCc1cccc(OC)c1C 603412179 PGDRVDBFYDMSFC-UHFFFAOYSA-N 296.370 3.634 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(C#N)c1 524534890 OUCDXPOXZVANCF-DLBZAZTESA-N 299.418 3.716 30 20 CHED CCCCOC1CCN(c2ccc(Cl)cc2C#N)CC1 439362022 SWZKOOSCFXQUDJ-UHFFFAOYSA-N 292.810 3.997 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(C(C)C)nc2)no1 528178857 RQBLXCLBTGWGII-UHFFFAOYSA-N 284.363 3.836 30 20 CHED C=CCCN(C)C(=O)c1cc(F)ccc1-c1ccoc1 348460568 ILLHMLFTBCQLFJ-UHFFFAOYSA-N 273.307 3.734 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc([C@@H]3C[C@H]3C)o2)n1 522284746 ZVONWPRZFVYQNG-BXUZGUMPSA-N 281.359 3.899 30 20 CHED CCC(C#N)(CC)C(=O)N(C)[C@@H]1CCCc2ccccc21 602231770 QLXODPZDNMTZRY-MRXNPFEDSA-N 284.403 3.852 30 20 CHED C=C(C)CN(C)[C@@H]1C[C@@H](OCC)C12CCCCC2 607749804 YZUDTWMNBTUWGW-HUUCEWRRSA-N 251.414 3.622 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccc(F)cn2)CCCC1(C)C 444954155 KQMOCUOKKSKDJJ-CYBMUJFWSA-N 291.370 3.819 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2NC2CCC(C#N)CC2)cc1 602574106 WTQRAJRIMCYCKE-FYOYPEGLSA-N 298.430 3.887 30 20 CHED C[C@H](CCC#N)CNC[C@@H](C)Oc1ccc(Cl)cc1 602567693 NCPKYFSSDZEYRH-CHWSQXEVSA-N 280.799 3.637 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 601686177 QNRMIMBDDPOFHI-IAGOWNOFSA-N 284.403 3.913 30 20 CHED CC(C)(C)OC(=O)CCCCN1CCCC(C)(C)[C@H]1C#N 444719456 NBAMYZSIYQXUCR-CQSZACIVSA-N 294.439 3.513 30 20 CHED CCN(Cc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1C 444659264 HIKZMJVDKKZYGI-YOEHRIQHSA-N 256.393 3.959 30 20 CHED Cc1cc2cc(CNCc3cc(C#N)cs3)ccc2[nH]1 353127639 PQOQDZUAZPPTFQ-UHFFFAOYSA-N 281.384 3.699 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 531465659 UNNROKMRFKRNJM-INIZCTEOSA-N 289.378 3.568 30 20 CHED CCC[C@H](C#N)NC(=O)CCC(C)(C)c1ccccc1 533581592 SUBWKSXETZSUBN-OAHLLOKOSA-N 272.392 3.553 30 20 CHED C=CC[C@@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12 444241179 JMWMTCKBWFLLGS-CQSZACIVSA-N 295.386 3.639 30 20 CHED C=CCCC1(C(=O)Nc2cnc3ccccc3c2)CC1 353878595 RJUBSEWHGDWJRU-UHFFFAOYSA-N 266.344 3.920 30 20 CHED Cc1cn(Cc2coc(-c3c(F)cccc3F)n2)cc1C#N 532793133 ZRCZCWFMSKDXAD-UHFFFAOYSA-N 299.280 3.650 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCCc2ccccc21 537227997 ABCKHWSVCYXRCD-PBHICJAKSA-N 271.404 3.968 30 20 CHED C=CCOCC(=O)Nc1c(CC)ccc(Cl)c1CC 356738741 XFMXGCYRDDDODP-UHFFFAOYSA-N 281.783 3.606 30 20 CHED C=CCOc1ccc(CN2CCO[C@@H](C)[C@H]2C)cc1Cl 538726140 YROVLCZATZNSOJ-OLZOCXBDSA-N 295.810 3.514 30 20 CHED N#CC[C@@H](CC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 355606628 LQQBWTOALZNYEI-ROUUACIJSA-N 296.414 3.865 30 20 CHED N#Cc1ncccc1N[C@H]1CCCc2ccc(F)cc21 357699924 DDZUIOMJFSYQTB-AWEZNQCLSA-N 267.307 3.582 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1[C@H](C)C1(F)F)c1ccccc1 359337182 AGCLIADTFSAPAP-FPMFFAJLSA-N 279.330 3.711 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2csc3ccccc23)C1 442763938 HJPXCLMDNGJDFZ-GXTWGEPZSA-N 270.401 3.726 30 20 CHED CCO[C@H](c1ccccc1)c1noc(C2(C#N)CCCC2)n1 445778239 VTWZHMCXILJZEF-CQSZACIVSA-N 297.358 3.531 30 20 CHED CCC1(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCCC1 618789623 LWNAYLJTXVVZEY-MRXNPFEDSA-N 282.387 3.632 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@H](C)CC(C)C)C1 617783778 GVNBFGMWOZVDGZ-GJZGRUSLSA-N 251.414 3.873 30 20 CHED CC(C)CC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CC1 441295836 LSKTVVBVECXVDD-CQSZACIVSA-N 290.794 3.847 30 20 CHED CC(C)Cn1cc(NCc2ccc(C#N)o2)c(C(F)F)n1 352071178 XZSRDOOQZTVOSG-UHFFFAOYSA-N 294.305 3.553 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 362379227 JLNXYJHJQYBJEB-SWLSCSKDSA-N 272.392 3.673 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(CC)c1)OCC 535147107 KYVOCKZNLAZGTK-HNNXBMFYSA-N 261.365 3.559 30 20 CHED C[C@H](C(=O)N[C@@]1(C)CCCC[C@H]1C)c1cccc(C#N)c1 457309813 XWVUXDGDIUYXIJ-GLJUWKHASA-N 284.403 3.747 30 20 CHED C[C@H]1CCC[C@@H](N2CCC(NCC(C)(C)CC#N)CC2)C1 459726304 DXPZGFFAFVSLJB-DOTOQJQBSA-N 291.483 3.559 30 20 CHED N#CCCCSCc1ccn(-c2cccc(F)c2)n1 616300368 QYXXKKGXZOJUHT-UHFFFAOYSA-N 275.352 3.548 30 20 CHED C[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)c1nccs1 612574889 RIXKNFJORNAGSC-LRDDRELGSA-N 297.427 3.785 30 20 CHED C=C1CCN(C(=O)c2cccc3ccsc23)CC1 274318380 FVSMBKXIDYTLLD-UHFFFAOYSA-N 257.358 3.694 30 20 CHED C=Cc1ccc(C(=O)N(CCC#N)CCC(C)C)cc1 277543061 SEAWZIKPCGHIFU-UHFFFAOYSA-N 270.376 3.732 30 20 CHED Cc1cccc(O[C@H](C)CN[C@@H](C)c2ccc(C#N)cc2)c1 540593664 NBIXXCOCJHCUJM-CVEARBPZSA-N 294.398 3.985 30 20 CHED CCC1(CNC(=O)c2cccc(C#N)c2)CCCCC1 546566318 MASYIGIAAOSKQQ-UHFFFAOYSA-N 270.376 3.649 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 455119240 ZGHSDLUEIZKXKJ-JOCQHMNTSA-N 292.810 3.804 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC)c2ccccc12 453358032 NECYHGWRJXBLGR-XWIAVFTESA-N 297.398 3.843 30 20 CHED C=CCOc1ccc(Br)cc1NC(=O)C(C)C 458031661 IXAKXCZTYNABOW-UHFFFAOYSA-N 298.180 3.608 30 20 CHED N#CCCCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 451354940 OTQQMHFVVZQMAI-AWEZNQCLSA-N 266.747 3.824 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC3(CCC3)CC2)cc1 367690059 TZGUBFPDDJMQII-HNNXBMFYSA-N 284.403 3.744 30 20 CHED N#Cc1ncc(OCC2CCC(c3ccccc3)CC2)cn1 548360924 JYGLZOTYMFLLQB-UHFFFAOYSA-N 293.370 3.701 30 20 CHED N#CCCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 273032911 NEQGHAVTRZDALH-MNOVXSKESA-N 297.185 3.517 30 20 CHED Cc1cccc([C@H]2CCN(c3ncc(C#N)cc3Cl)C2)c1 544133617 UTHCETNXEXQOJI-HNNXBMFYSA-N 297.789 3.909 30 20 CHED C=CCC1(CNC(=O)c2conc2C(C)C)CCCC1 627661915 VMERFLVGLGIZJI-UHFFFAOYSA-N 276.380 3.664 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1CCO[C@H]1c1ccccc1 277250794 VQUAXFZLKJKGKG-KSSFIOAISA-N 296.345 3.887 30 20 CHED C=CCC[C@H](CC)NC[C@@]1(C)CCO[C@H]1C1CC1 372095009 MLJHOWHXTAUDRB-HRCADAONSA-N 251.414 3.526 30 20 CHED CC#CCCNC(=O)Nc1cc(Cl)ccc1SC 543565048 YFFLMBXWKZEZGM-UHFFFAOYSA-N 282.796 3.597 30 20 CHED N#Cc1ccnc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 283932126 XNTKKNUHWJCLDA-ZBFHGGJFSA-N 299.761 3.549 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1ccccc1C#N 469979881 BHGHQYKRODXNCL-CYBMUJFWSA-N 270.298 3.625 30 20 CHED C=CC[C@@H]1CCCC[C@H]1N[C@H](c1nccn1C)C1CC1 639304102 XBBGCWINMHZPRF-BMFZPTHFSA-N 273.424 3.596 30 20 CHED CC1(C)CC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 556604196 APIRJUCGKIECCB-OAHLLOKOSA-N 254.377 3.716 30 20 CHED N#Cc1cccc(OCCSc2cccc(F)c2C#N)c1 555874238 NVBCEPVQQIAHEY-UHFFFAOYSA-N 298.342 3.740 30 20 CHED C=CCOCCCC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 463040594 FGEYVHJGFYQKSM-MRXNPFEDSA-N 293.451 3.788 30 20 CHED N#CC1(CCCNc2c(F)cccc2Cl)CCOCC1 280925654 DLNBFKGDOCJSHI-UHFFFAOYSA-N 296.773 3.992 30 20 CHED Cc1ccc(CCC(=O)N(C)c2ccc(C#N)cc2)c(C)c1 461548981 PKSFZGDQVCYDNE-UHFFFAOYSA-N 292.382 3.771 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1sccc1Cl 552427619 KTJAGXBUBLMCCO-SECBINFHSA-N 257.786 3.876 30 20 CHED CC(C)(CCC#N)CN1CCC[C@H]1c1ccncc1 289747627 IZBIWCRZXICVOM-HNNXBMFYSA-N 257.381 3.548 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccccc1CC 281547392 IZKOVVKQLKDGTN-GOEBONIOSA-N 288.435 3.910 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[C@H](OC)C1 551035237 ORVONKGHMVSCHL-SJORKVTESA-N 293.451 3.787 30 20 CHED C=CCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 470000716 SFIWVBJCIKDMPC-NSHDSACASA-N 272.175 3.633 30 20 CHED COc1ccsc1/C=C1\Cc2nc(Cl)ccc2C1=O 806579439 HJTPTRKYRMNREO-BQYQJAHWSA-N 291.759 3.628 30 20 CHED CC[C@H](C)CONC(=O)Nc1ccc(C(C)(C)C#N)cc1 291753859 KPWPMUQMHAPEAA-LBPRGKRZSA-N 289.379 3.587 30 20 CHED Cc1cc([C@H](C)NCc2cc(C#N)ccc2F)oc1C 800482120 OPLQQOQUCCFECN-NSHDSACASA-N 272.323 3.758 30 20 CHED C[C@@H](NC1CC(C(F)(F)F)C1)c1ccc(C#N)c(F)c1 557451141 BOQAHWAKKMSZTK-HUUUCTMMSA-N 286.272 3.689 30 20 CHED Cc1cccc(C)c1[C@H](C)N=c1[nH]ccc(C#N)c1Cl 553492704 HXQBJYSTCXVGMW-LBPRGKRZSA-N 285.778 3.819 30 20 CHED C=CCC1(C(=O)NCC(C)(C)CC(C)C)CCC1 479153609 INVWAOVORUCFGA-UHFFFAOYSA-N 251.414 3.921 30 20 CHED CCC(=NNc1nccnc1C1CCC1)c1ccc(O)cc1 807994344 QSXOHJRTFKUSRS-UHFFFAOYSA-N 296.374 3.676 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(F)cc1SC)OCC 648619435 CZXWNWLYATUFMB-ZDUSSCGKSA-N 297.395 3.857 30 20 CHED CC[C@](C)(C#N)C(=O)OC/C=C\c1ccc(Cl)cc1 803783271 ZDKDSBXPZBVWCX-FOSCPCJNSA-N 277.751 3.836 30 20 CHED C=C(C)CCNc1cc(F)ccc1OC[C@@H]1CCCO1 568680668 NSSXGTXXGORWGU-AWEZNQCLSA-N 279.355 3.762 30 20 CHED CC#CCCCC(=O)N(CC(C)C)c1ccccc1 561444042 QOSDNNJTXCLBFK-UHFFFAOYSA-N 257.377 3.869 30 20 CHED C=CCOCCSC1=Nc2ccccc2CS1 292675208 OLPMXZYKFJYSFS-UHFFFAOYSA-N 265.403 3.857 30 20 CHED C#C[C@H](C)NC/C(C)=C/c1ccccc1C(F)(F)F 809683554 FDYAVMANANLQDI-ZKQHCESOSA-N 267.294 3.720 30 20 CHED C[C@@H](C#N)OCCSCc1coc(-c2ccccc2)n1 802749580 HFCQQHPBJSAHGE-LBPRGKRZSA-N 288.372 3.503 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(OC)cc2F)C1 640413724 TUSDNXPNUGMEPP-LBPRGKRZSA-N 292.354 3.654 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H](C)c1ccc(F)cc1)C(C)(C)C 808313907 HQDXCZGLMMPSIN-DOMZBBRYSA-N 290.382 3.576 30 20 CHED CC(C)(C)Nc1ccccc1NC(=O)CCCC#N 292291050 MJICRIHYVBSRRI-UHFFFAOYSA-N 259.353 3.529 30 20 CHED C=CCC(C)(C)C(=O)OCc1nc(C(F)(F)F)cs1 292360984 ZQUJLWBCQVNBQV-UHFFFAOYSA-N 293.310 3.807 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1conc1CC)c1ccccc1 294205871 SNRKZTIOUJCWAW-AWEZNQCLSA-N 298.386 3.555 30 20 CHED C=C(CNC(=O)/C=C\c1cccs1)c1ccccc1 805249995 JEUWSYBISZLCDW-KTKRTIGZSA-N 269.369 3.591 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 470133253 AIWWEYKZRKGSDG-KYOSRNDESA-N 290.794 3.847 30 20 CHED C[C@@H](O)C[C@H](CNc1ccc(C#N)cc1F)c1ccccc1 562239945 IIHVDPCQHLSZFA-CZUORRHYSA-N 298.361 3.664 30 20 CHED C=CCOCCCN1CCC[C@@](C)(c2ccccc2)C1 470765424 LGPDYBNCXPIVJB-GOSISDBHSA-N 273.420 3.633 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CC1=CCCCC1 564548027 KVAPLHLQGBBINM-SFHVURJKSA-N 294.398 3.942 30 20 CHED CC(C)(C)CCCCC(=O)OCC1(C#N)CCC1 805918034 GWSZGQZHDVWRFK-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CCOc1ccc(NN=Cc2ccc(OC)s2)cc1 814984202 MAFBPPZYJAXYMF-UHFFFAOYSA-N 276.361 3.601 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc2ccc(F)cc2[nH]1 488294823 KYPQDGJNPXMYIJ-UHFFFAOYSA-N 293.345 3.811 30 20 CHED C#CCN(C)C(=O)N[C@H](c1ccccc1)C1CCCCC1 812006309 VNRCAIYCBZHVKV-QGZVFWFLSA-N 284.403 3.583 30 20 CHED C=CCCCCOC(=O)c1csc(C(C)C)n1 811012692 UBTKMCNZMYHNDS-UHFFFAOYSA-N 253.367 3.780 30 20 CHED Cc1ccccc1OCCN(C)Cc1ccc(C#N)c(F)c1 483543975 NETGAGYMVJZOAK-UHFFFAOYSA-N 298.361 3.517 30 20 CHED COc1cccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 568776632 WOQZDFNXCRYADC-YJYMSZOUSA-N 292.382 3.905 30 20 CHED C=CCCCCCCNC(=O)N1CC(C)(C)[C@H]1C1CC1 812373403 CSLHKHVDKCXDTA-OAHLLOKOSA-N 278.440 3.953 30 20 CHED N#CCc1ccc(CN2CCOC3(CCCCCC3)C2)cc1 567786449 XAHFSWUUQVPXHW-UHFFFAOYSA-N 298.430 3.678 30 20 CHED C#C[C@@H](NC(=O)C1(c2ccccc2C)CCCC1)C(C)C 813559249 SGZZHTOGPJZWFG-QGZVFWFLSA-N 283.415 3.581 30 20 CHED C=C[C@H]1CCCCN1C(=O)C(C)(C)Oc1ccc(F)cc1 488857161 NLIIZUXJYGEQQV-AWEZNQCLSA-N 291.366 3.550 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OCC2CC2)cc1 815601101 NRHFAEGQRURNCY-UHFFFAOYSA-N 281.302 3.625 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(Cl)cn1C 484859308 RMNZAHZLCSBJRE-UHFFFAOYSA-N 294.826 3.887 30 20 CHED CCCC[C@H]1CCCC1=NNC[C@@H]1CCSC1 811661108 DWDHWAXDWISUPY-STQMWFEESA-N 254.443 3.675 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 572337910 RBALKYSFCAVUOX-GFCCVEGCSA-N 288.416 3.873 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccc(F)cc2F)cc1 814360687 MMPCTMWQIDOSKX-UHFFFAOYSA-N 285.293 3.517 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)[C@@H]1CCCOC1 814863209 FKPRTPLSURQOLX-KRWDZBQOSA-N 294.398 3.856 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)s1 488845378 PYUOWRDAKWWGCC-AWEZNQCLSA-N 298.411 3.991 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(F)c2C#N)ccc1O 811689531 GFMLOTRTALNXDU-VMPITWQZSA-N 281.286 3.608 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCCCOCC 483937527 GPQIKLBIKAORMM-UHFFFAOYSA-N 296.455 3.581 30 20 CHED CC(C)(C)CCCC(=O)OCCOc1cccc(C#N)c1 729027507 GNWIYUKVIVPOQJ-UHFFFAOYSA-N 289.375 3.697 30 20 CHED CCC(=NNc1ccc(F)cc1OC)c1ccc(F)cn1 814915600 BATPIERFMXUWKJ-UHFFFAOYSA-N 291.301 3.595 30 20 CHED C=CCCCCNc1cccc(NC(=O)N(C)C)c1C 579799811 GYHPPUDMQFMWBX-UHFFFAOYSA-N 275.396 3.857 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCc1ccccc1O 657865132 PVWPIYOMZZUYPY-GDBMZVCRSA-N 259.393 3.659 30 20 CHED C#Cc1ccccc1CC(=O)N(C)c1cc(Cl)ccc1C 818809687 TUBOIDXNQJKSGC-UHFFFAOYSA-N 297.785 3.835 30 20 CHED COCc1ccccc1/C=C(\C)C=NO[C@@H]1CCCCO1 814225138 PZHIVQSOIDKEJV-XKUVRHQHSA-N 289.375 3.765 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1CCCc1ccccc1 483414830 IVBIWXMHBVFINN-SFHVURJKSA-N 298.430 3.597 30 20 CHED C=CCCOCCCCC(=O)NC[C@H]1CCCC1(C)C 579753222 NBKJRBDGVIUHSY-OAHLLOKOSA-N 281.440 3.692 30 20 CHED COc1cccc(O)c1/C=N/CCc1cccc(Cl)c1 812396763 YTROJRWQEDLSOT-WOJGMQOQSA-N 289.762 3.716 30 20 CHED CCCCCCCCOC(=O)c1ncc(C#N)cc1C 815338207 QVBHVIMEOBXYDY-UHFFFAOYSA-N 274.364 3.779 30 20 CHED CCOc1ccc(NN=Cc2csc(CC)n2)cc1 814983708 NUTSUCMCANFNJZ-UHFFFAOYSA-N 275.377 3.550 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1 728439019 UKOMZIYBWOXONU-CLFYSBASSA-N 270.303 3.990 30 20 CHED C=CCCCCN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 828468648 TUVCODRTTWWKBE-LSDHHAIUSA-N 296.455 3.578 30 20 CHED C=CCCC[C@H](C)NCc1ccc(O[C@@H]2CCOC2)cc1 657429329 QMTGXYOVOGGQSN-MAUKXSAKSA-N 289.419 3.689 30 20 CHED Cc1cccc(OCCON=Cc2ccccc2F)c1 824066561 FULYQDDHNHWNBR-UHFFFAOYSA-N 273.307 3.564 30 20 CHED COC(=O)Nc1ccc(OCc2ccc(CC#N)cc2)cc1 495013403 WFWLUFZLANJKFO-UHFFFAOYSA-N 296.326 3.510 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cc(-c2ccccc2)no1 821444892 RRVLTVHTEWWTTO-UHFFFAOYSA-N 285.343 3.987 30 20 CHED CCc1cc(OC)ccc1CN1CCC(CCC#N)CC1 577374766 KKPDITKCMQJJSG-UHFFFAOYSA-N 286.419 3.773 30 20 CHED CC(CSC(C)(C)C)=NNc1cccc(C(=O)O)c1 729633248 MFQABFVNRXWZHW-UHFFFAOYSA-N 280.393 3.704 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(-c2ccco2)cc1F 490512547 FOKUPFXNKYDNNH-SNVBAGLBSA-N 274.295 3.782 30 20 CHED COc1c(Cl)cccc1NC(=O)CCCCCC#N 588156410 FCHRFHYUHZWGSC-UHFFFAOYSA-N 280.755 3.761 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1 498314900 GJTWLABENBELCA-UHFFFAOYSA-N 292.338 3.985 30 20 CHED CC1(c2ccccc2)CC(N=c2[nH]ccc(C#N)c2Cl)C1 581386891 SXTXYDQQWRREPL-UHFFFAOYSA-N 297.789 3.561 30 20 CHED N#Cc1ccccc1NC(=O)/C=C\c1ccc2[nH]ccc2c1 492323693 VPULBWVIETYJEG-VURMDHGXSA-N 287.322 3.691 30 20 CHED C=CCCNC(=O)Nc1cccc(O[C@@H](C)CC)c1 665855369 PGAIGMVXZCAIRM-LBPRGKRZSA-N 262.353 3.562 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NC[C@@H](C)CC(F)(F)F)C1 661322065 OXBKBARUYSPRRZ-NWDGAFQWSA-N 292.345 3.573 30 20 CHED Cc1nc(-c2ccc(NC(=O)C#CC(C)C)cc2)oc1C 823011960 BPSCFNWLUFFBCU-UHFFFAOYSA-N 282.343 3.556 30 20 CHED C=CCCC(=O)N(Cc1cccc(C)c1)CC(C)C 588024398 XLAGKLRUWRFWJZ-UHFFFAOYSA-N 259.393 3.946 30 20 CHED CN(Cc1cccc2[nH]ccc12)c1ccc(C#N)cc1 493382377 IELVHTYVOHDWOF-UHFFFAOYSA-N 261.328 3.676 30 20 CHED CCO[C@H](c1ccccc1)c1noc(CCCCCC#N)n1 589150772 VFGROQKLCKODEY-MRXNPFEDSA-N 299.374 3.822 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 907597442 RMPSYTLKUHYJTL-LBPRGKRZSA-N 289.375 3.590 30 20 CHED C=CC[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccncc1 734233976 DHSRENQDWSBFKY-IWAYRVGRSA-N 296.345 3.668 30 20 CHED C=C[C@H](CCC(=O)O)NC/C=C/c1c(C)cc(C)cc1C 904014441 RKLCAHGKQWMLCW-FYCOFBDGSA-N 287.403 3.634 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(OC)c1 494561307 CBMBRUBHAWIHHC-ZFWWWQNUSA-N 288.391 3.506 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CCCc1ccccc1Cl 589789407 WRWGEHSEWSWPAH-CQSZACIVSA-N 292.810 3.717 30 20 CHED N#Cc1ccc(NCCCCc2ccccc2)cc1[N+](=O)[O-] 589558219 DGYRQEQBLYAEFC-UHFFFAOYSA-N 295.342 3.901 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1cnc2ccccc2n1 835348565 PIRZDQMPWCTDJW-HZSPNIEDSA-N 293.370 3.632 30 20 CHED C=CC[C@@H](OC(=O)c1cnc2n1CCCC2)c1ccccc1 835324816 TYAZUHPBJRNIJP-MRXNPFEDSA-N 296.370 3.694 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1cnn(C)c1Cl)C2=O 834434729 RPNMXRQPZDLJER-QVASGMJFSA-N 286.762 3.765 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C(=O)O)[C@H](C)CC 903597743 OEYVUYQCOXGNQP-HIFRSBDPSA-N 267.413 3.554 30 20 CHED Cc1cc(C2OCCO2)c(C)cc1-c1ccc(O)c(C#N)c1 904795705 WLDCUBAUWDSMCK-UHFFFAOYSA-N 295.338 3.593 30 20 CHED O=C(Nc1ccccc1)c1ccc(CON=C2CCC2)cc1 735490505 ZRWYUHVEVAWIEY-UHFFFAOYSA-N 294.354 3.995 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1cnc(C)o1 838757949 LTQXAXPNQKUWJA-UHFFFAOYSA-N 295.427 3.875 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(O)Cc1ccc(F)cc1 901371792 IHJNHYHNROXNNA-DZGCQCFKSA-N 279.355 3.760 30 20 CHED Fc1cccnc1NN=C1CCC(OC2CCCC2)CC1 834977452 KVWBCXGXMBTAJD-UHFFFAOYSA-N 291.370 3.890 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C[C@H]1CCOC1 739525998 SMUDYUBBFFRLKO-HUUCEWRRSA-N 269.429 3.526 30 20 CHED C#CCCCC(=O)O[C@H](c1ccc(C#C)cc1)C(F)(F)F 836083073 QPCWWZQTITVCFT-OAHLLOKOSA-N 294.272 3.618 30 20 CHED COc1cccc(C)c1/C=C/C(=O)c1cnn(C(C)C)c1C 834434158 BMWNXAZPALELPC-MDZDMXLPSA-N 298.386 3.986 30 20 CHED C=CCc1ccc(OC(=O)COC(C)(C)CC)c(OC)c1 838783054 GFMMBAFHKYBPKP-UHFFFAOYSA-N 292.375 3.534 30 20 CHED Clc1ccc(NN=Cc2cccnc2)c(Cl)c1 916338820 VQUWOTFCSPKGPB-UHFFFAOYSA-N 266.131 3.834 30 20 CHED N#Cc1ccc(SCc2ccsc2C(=O)O)cc1 833074024 MLASPLXYDOECRB-UHFFFAOYSA-N 275.354 3.610 30 20 CHED N#Cc1cc(Cl)ccc1CN1C[C@@H]2CCCC[C@@H]21 595566191 GDAFEUOLCAUSOY-WFASDCNBSA-N 260.768 3.586 30 20 CHED CC(C)n1ccc(CSCCc2ccc(C#N)cc2)n1 596337954 GQNRTBIEXFFLOJ-UHFFFAOYSA-N 285.416 3.812 30 20 CHED CC[C@@H](Cc1cccs1)NCC(C)(C)CC#N 590970578 MIPFASPBBXAMRW-LBPRGKRZSA-N 250.411 3.599 30 20 CHED C=C(Cl)CNC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 743463155 SIEAZHHVXOZKGW-ZDUSSCGKSA-N 294.826 3.934 30 20 CHED C=C(CNC(=O)[C@H](CC)Nc1ccccc1)c1ccccc1 673342111 LWKNQOXPGIARFL-SFHVURJKSA-N 294.398 3.707 30 20 CHED Cc1ccc(CN(C)[C@H](C#N)c2ccccc2)s1 595304855 DCAJEAPWACREQD-OAHLLOKOSA-N 256.374 3.753 30 20 CHED C=CCN(Cc1ccccc1C(C)(C)C#N)[C@@H](C)COC 595648885 VRBNNWPYOQVGAL-HNNXBMFYSA-N 286.419 3.511 30 20 CHED N#Cc1cccc(NN=Cc2ccc3ccccc3n2)c1 741459207 VVMZYFJMLIUXAI-UHFFFAOYSA-N 272.311 3.552 30 20 CHED Cc1ccc(/C=C2\Oc3ccccc3C2=O)cc1[N+](=O)[O-] 742435530 CEQIUWOKUGXNSS-DHDCSXOGSA-N 281.267 3.519 30 20 CHED C=CCCOCC(=O)O[C@H](CC)C(C)(C)c1ccccc1 741949793 HPNCYSXDJAAXPV-MRXNPFEDSA-N 290.403 3.879 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1(c2ccccc2C)CCCC1 594092840 VRZIPMRVCYEWTQ-OAHLLOKOSA-N 284.403 3.567 30 20 CHED CCC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 914887184 OTNCAKXOYLFMPX-UHFFFAOYSA-N 293.366 3.840 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 593593737 FGTKXANTVINGDY-IINYFYTJSA-N 296.773 3.842 30 20 CHED CC(C)CC(=NNc1cnccn1)c1ccc(Cl)cc1 740760780 NEEMMMXMJBIGFL-UHFFFAOYSA-N 288.782 3.992 30 20 CHED CCN(CCc1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 595342614 NOMDOFMTPQJZPN-OAHLLOKOSA-N 294.398 3.889 30 20 CHED Fc1ccc(NN=Cc2cccc(-c3ccccn3)c2)nc1 747750861 YUYSKBBQMREMOW-UHFFFAOYSA-N 292.317 3.729 30 20 CHED N#CCOc1cccc(OC(=O)CC2CCCCCC2)c1 841345721 LXDNRURVCXSGOT-UHFFFAOYSA-N 287.359 3.855 30 20 CHED Cc1cc(C)nc(NN=C[C@H](C)CCc2ccccc2)n1 749158463 OTWPWHCWFWTWCE-CYBMUJFWSA-N 282.391 3.760 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N[C@@H](C#N)CC(C)C 590987849 JMBUMGKGIRMSKE-UONOGXRCSA-N 252.402 3.503 30 20 CHED Cc1cc(SCc2cc3n(n2)CCCC3)ccc1C#N 593422754 JZIHRVXNQFQVJK-UHFFFAOYSA-N 283.400 3.692 30 20 CHED C=CCC(CC=C)C(=O)N1CCn2c(Cl)ccc2[C@@H]1C 848088687 CSCMRCKQFPLVAS-LBPRGKRZSA-N 292.810 3.813 30 20 CHED C=CCC1(NCc2nc([C@H](C)SCC)no2)CCCC1 595780084 GWWMFLGZXFWICD-LBPRGKRZSA-N 295.452 3.862 30 20 CHED CC(=NNCc1ccccc1Cl)c1cccc(C#N)c1 918152528 GWSGWSMJPDOHLQ-UHFFFAOYSA-N 283.762 3.725 30 20 CHED C[C@@H]1c2ccsc2CCN1c1nc(C#N)c(Cl)s1 596064629 YRINNJIDXPXWLX-SSDOTTSWSA-N 295.820 3.853 30 20 CHED Cc1cc(C#N)ccc1NCCc1nc(C)c(C)s1 846749785 IMBRRAAFSCAIOJ-UHFFFAOYSA-N 271.389 3.595 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC2(CCC2)C1 593508395 DJGUGSALDRLDKQ-ZDUSSCGKSA-N 297.402 3.593 30 20 CHED Cc1cccc(C(C)(C)C/N=C\c2ccc(O)c(O)c2O)c1 745021525 QHZBNUAACZQCFU-GRSHGNNSSA-N 299.370 3.509 30 20 CHED CC(C)CC1(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 593988585 QJQCQFFUJSYDET-OAHLLOKOSA-N 298.430 3.679 30 20 CHED CC1(CC(=O)Nc2nc(Cl)c(C#N)s2)CCCCC1 841223996 GGSXRESILQYRQA-UHFFFAOYSA-N 297.811 3.967 30 20 CHED C=CCCCCCN(C)CN1C[C@@H](CC(C)C)CC1=O 744433422 BQNFBCSSTKKAEM-INIZCTEOSA-N 280.456 3.517 30 20 CHED CCc1ccccc1NN=Cc1cc(F)c(O)c(F)c1 749857743 GPKQFCYJQFZANB-UHFFFAOYSA-N 276.286 3.679 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1coc2ccc(Cl)cc12 593016399 OOCKRMBONIUODO-HNNXBMFYSA-N 290.750 3.754 30 20 CHED Fc1ccc(/C=C/C=NNc2nc3ccccc3[nH]2)cc1 747741940 ZZUCUACAFQWQEU-ZRSOARAGSA-N 280.306 3.813 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC1CCC1 595782547 OSTBQXDKEJJXPV-CQSZACIVSA-N 299.418 3.841 30 20 CHED C#CCOc1ccc(F)cc1NCc1cc(C)ccc1F 742376755 GEBOSGJXUXQTFD-UHFFFAOYSA-N 287.309 3.897 30 20 CHED CCCCCCCCC(=O)N(C)C1CCN(CC)CC1 918691412 URMDIVHJAZROBQ-UHFFFAOYSA-N 282.472 3.680 30 20 CHED C=CCCn1cc(CN2CCCC[C@H]2c2ccccc2)nn1 846855592 HBEPTOLPILOTKG-SFHVURJKSA-N 296.418 3.581 30 20 CHED CCc1ccccc1C/N=C\c1cccc(OC)c1O 740616631 PGUDOGXTCIMMIU-PDGQHHTCSA-N 269.344 3.582 30 20 CHED Cc1cc(/C=C2/C(=O)c3ccccc3[C@H]2C(C)C)n(C)n1 841486193 BNSABCKFCYRNGM-BRVCPTFNSA-N 280.371 3.748 30 20 CHED C[C@H](C[C@@H]1CCCCCN1)N[C@H](C)c1cccc(C#N)c1 591571005 SKQZWQHEPXDANV-RKVPGOIHSA-N 285.435 3.520 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(CC(C)C)c2)n(C)n1 841486530 IJYMSXXYWCMZHI-CMDGGOBGSA-N 282.387 3.823 30 20 CHED C=CCCCCNC(=O)C[C@H]1CCc2ccccc21 681144744 BBQOLRDUOGEOFF-OAHLLOKOSA-N 257.377 3.579 30 20 CHED CC(C)c1ccc(/C=C/CC(=O)N2CCC[C@H](C#N)C2)cc1 928222722 VEYAPIKEXIVSHS-NJELEJDNSA-N 296.414 3.975 30 20 CHED C=CCCCOC(=O)c1ccccc1Oc1ccccn1 741000446 CYYKUEKOTDXPML-UHFFFAOYSA-N 283.327 3.997 30 20 CHED CCn1cc(C(=O)/C=C\c2c(C)cc(C)cc2C)cn1 920991481 KJDWPHMHBIGLQJ-SREVYHEPSA-N 268.360 3.724 30 20 CHED C#CCCCNC(=O)Nc1ccc(Cl)c(SC)c1 841738509 OIANSGWQKLYQCL-UHFFFAOYSA-N 282.796 3.597 30 20 CHED Cc1cccc(NN=C2[C@@H]3CCCO[C@@H]3C2(C)C)c1 743416686 ATNFFEUGFWAIQD-ZFWWWQNUSA-N 258.365 3.598 30 20 CHED C#CCCCNCc1ccc(-c2ccc(F)cc2C)o1 742385002 CGZDWKRFVNVKDL-UHFFFAOYSA-N 271.335 3.897 30 20 CHED COCCON=C1CCC[C@H]1c1ccccc1Cl 758125381 WBYKSXVLXGSLAV-LBPRGKRZSA-N 267.756 3.627 30 20 CHED C[C@H](OC(=O)c1cc2occc2s1)C(C)(C)C#N 753620844 BBSZFZLZDXTNKK-QMMMGPOBSA-N 263.318 3.589 30 20 CHED C#CCCCCNC(=O)N[C@@H](c1ccccc1C)C(C)C 758763361 IFDFZFJWSCGJJG-QGZVFWFLSA-N 286.419 3.795 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCCc1ccccc1 851211978 PFFSTSFQIBIGNL-AWEZNQCLSA-N 273.376 3.881 30 20 CHED C#CC[C@H](NC(=O)c1cc(C)cc(C)c1)c1ccccc1 757580206 PVJAHBKKCIFZLC-SFHVURJKSA-N 277.367 3.798 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1ccc(Cl)s1 929380255 UGYJXTZZPVBGPK-SNVBAGLBSA-N 271.813 3.962 30 20 CHED CC1(C)C[C@H](O)c2cc(-c3ccc(F)cc3C#N)ccc2O1 854188710 JEACXMBPUZMJDH-INIZCTEOSA-N 297.329 3.959 30 20 CHED C=CCN(C(=O)c1cc(Cl)ccc1C)C(C)C 753046454 PRQQNJIXDKGUKK-UHFFFAOYSA-N 251.757 3.685 30 20 CHED COCC(=NNc1cc(Cl)ccc1Cl)C1CC1 754262131 YXOHWMMQZVSHSY-UHFFFAOYSA-N 273.163 3.818 30 20 CHED C[C@@H]1CCC[C@H](N2CCC(=NO[C@@H]3CCCCO3)CC2)C1 755822159 GIJQNNPKNCSOSM-HYVNUMGLSA-N 294.439 3.560 30 20 CHED CCC[C@@H](C)CC(=O)OCc1ccc(F)c(C#N)c1 758942771 NRSZDOBCWYGGPK-LLVKDONJSA-N 263.312 3.567 30 20 CHED CCC[C@@H](C)N(C)c1nc(C(C)(C)C)ccc1C#N 1162139997 IZDMSMUEZXWVJM-GFCCVEGCSA-N 259.397 3.876 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1cc(C(=O)O)oc1C 692252026 CTKORHSEEYRHPD-JSGCOSHPSA-N 277.364 3.511 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1csc2ccccc12 754735674 JGVVGOOHWWANDH-STQMWFEESA-N 275.417 3.879 30 20 CHED Cc1cc(C=NOCC(F)F)ccc1Oc1cccnc1 758904160 RVHXCIFBSNGMBV-UHFFFAOYSA-N 292.285 3.798 30 20 CHED CCc1oc2ccccc2c1C=NO[C@@H]1CCCCO1 755816480 GLEGVYARTWWNSI-MRXNPFEDSA-N 273.332 3.872 30 20 CHED CC(CC1CCOCC1)=NN[C@H](C)c1ccccc1 757576452 OSXXHEQNQZWPSV-CQSZACIVSA-N 260.381 3.530 30 20 CHED N#Cc1ccc(CCNC2(c3ccccc3F)CC2)cc1 851904558 ZNAXDGRDKGYSJC-UHFFFAOYSA-N 280.346 3.519 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc([C@@H](C)CC)cc1 755279449 LYZJIUSRRODIMC-SWLSCSKDSA-N 258.365 3.622 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cccc2ccncc12 851206206 PDMVUHJONCRKOZ-GFCCVEGCSA-N 282.343 3.720 30 20 CHED CCCCCCCCC(=O)N[C@H](C)c1nnc(C)s1 759188402 BQFXXBFTEBZSSV-LLVKDONJSA-N 283.441 3.774 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(N)ccc1Cl 867945177 SKXCLSSFAMJUPC-UHFFFAOYSA-N 280.799 3.741 30 20 CHED CCCCCCCNC(=O)CCc1ccc(C#N)cc1 862359712 SGWPGWZJJAIQNX-UHFFFAOYSA-N 272.392 3.577 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cccc(C)c1 766772277 PCRAWIXAVYNVJB-BQYQJAHWSA-N 251.329 3.849 30 20 CHED Cc1ccc(C=NO[C@@H]2CCCCO2)cc1Br 767900699 LCSVFHQDQHNSNY-CYBMUJFWSA-N 298.180 3.635 30 20 CHED Cc1cc(C)c2c(c1)C(=NNc1c(C)cccc1F)C(=O)N2 769842165 ZMQYPXZQPSWDJM-UHFFFAOYSA-N 297.333 3.519 30 20 CHED CCCCCCCC(=O)N1CCC(CCCN(C)C)CC1 766552873 NZOSTBDCXDIYQS-UHFFFAOYSA-N 296.499 3.927 30 20 CHED C#CCN(C(=O)Nc1ccc2occ(C)c2c1)C(C)C 930937817 COBRWCNZUJIEOB-UHFFFAOYSA-N 270.332 3.617 30 20 CHED C=CCCC(=O)COC(=O)C(C)(C)c1cccc(Cl)c1 761399672 DZFDSMZIRSEFEX-UHFFFAOYSA-N 294.778 3.696 30 20 CHED Cc1ncccc1/C=C1\Cc2ccc(Cl)cc2C1=O 762446656 KOBRGMOAMFDNPW-NTUHNPAUSA-N 269.731 3.866 30 20 CHED CCCCCCCNC(=O)c1ncsc1C(F)(F)F 862356686 HCNOSSXABGHENJ-UHFFFAOYSA-N 294.342 3.862 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1nc(O)c2ccccc2n1 769585304 NKVMJKYLNXPNOB-NEPJUHHUSA-N 298.390 3.950 30 20 CHED FC(F)(F)CON=C(CC(F)(F)F)c1ccccc1 764845897 BKXLDETYNISNSC-UHFFFAOYSA-N 285.187 3.922 30 20 CHED Fc1cccc(Cl)c1CCC=NNCC(F)(F)F 769824672 LBPBSBGIVIBKFE-UHFFFAOYSA-N 282.668 3.549 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2c[nH]c3ccccc23)c1 768375904 QHCQWGGVQZLPHG-UHFFFAOYSA-N 295.733 3.534 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCC(C)(C)C2)c1 768290047 PPMQHFAAWRWCNW-AWEZNQCLSA-N 272.417 3.533 30 20 CHED O=C(CC#Cc1ccccc1)OCCCc1ccccc1 1116271656 YNKFXGRALYDXRC-UHFFFAOYSA-N 278.351 3.604 30 20 CHED FC(F)(F)CON=C1CCCCc2ccccc21 764834595 FPWKXCBKGXTRSX-UHFFFAOYSA-N 257.255 3.696 30 20 CHED COc1ccc(CNN=Cc2ccc(C)c(Cl)c2)cc1 766450376 KVOOIVCUWFNOLJ-UHFFFAOYSA-N 288.778 3.781 30 20 CHED CC#CCCOC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 760282056 HSWMZVRRHJJFHC-UHFFFAOYSA-N 296.288 3.694 30 20 CHED CC(=O)[C@](C#N)(CCN(C)C1CC(C)(C)C1)c1ccccc1 878704533 WBLWSLSABPHPFO-LJQANCHMSA-N 298.430 3.547 30 20 CHED CN(C)c1ccc(CN(CCC(C)(C)C#N)C2CC2)cc1 762377649 LORVBDUHHUQBHV-UHFFFAOYSA-N 285.435 3.657 30 20 CHED COc1cc(/C=C2\COc3c(C)cccc3C2=O)ccc1F 1116377862 QXTPJUHMFLXPND-MDWZMJQESA-N 298.313 3.801 30 20 CHED CC[C@@H](CC#N)NCc1c(C)ccc(Br)c1F 877365072 OBFBFTQSROZNKH-JTQLQIEISA-N 299.187 3.679 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(-c2cccs2)s1 1116798886 VKVUSBLVCHWGAU-SNVBAGLBSA-N 275.398 3.570 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1ccccc1F 776204625 VZJVVXNYTBCQDA-LLVKDONJSA-N 266.385 3.857 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1nccnc1Cl 779777107 RIUHHBRWGZOYAS-JTQLQIEISA-N 268.792 3.990 30 20 CHED C=CC[C@H](NC(=O)c1ccccc1CC)c1ccncc1 770552525 IFFBPDNGHYFYOA-KRWDZBQOSA-N 280.371 3.691 30 20 CHED C=Cn1cc(C=NNc2ccnc3cc(Cl)ccc23)cn1 772990649 PAIYBNNHZHIGNO-UHFFFAOYSA-N 297.749 3.631 30 20 CHED CC[C@H](N[C@H]1CC[C@H](SC)C1)c1ccc(C#N)cc1 774216783 ZNLUWUKLXGGTJC-JYJNAYRXSA-N 274.433 3.883 30 20 CHED O=C1/C(=C\c2ccccc2F)Oc2cc(F)ccc21 773169875 ADWUXPPJZXIFSV-VGOFMYFVSA-N 258.223 3.581 30 20 CHED Cc1nc(C(=O)OCCCCC(C)(C)C#N)sc1C 773520689 QDXRHQGFLCXZCB-UHFFFAOYSA-N 280.393 3.637 30 20 CHED CC[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccc(F)cc1 1127373395 VKYJARDWRQCWKU-QGZVFWFLSA-N 296.345 3.773 30 20 CHED CCC1(CC)C(=NNc2ccc3[nH]ncc3c2)C[C@H]1OC 779815940 HLTZSEUMQWZVBV-OAHLLOKOSA-N 286.379 3.556 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1cc(C#N)c(F)cc1F 880712736 WUGAOSYBUFJLSS-UHFFFAOYSA-N 295.333 3.736 30 20 CHED C[C@H](C=NNc1cc(Cl)ccn1)c1ccccc1 777906539 XDUZGOLJWJNGEI-LLVKDONJSA-N 259.740 3.936 30 20 CHED N#Cc1cc(/C=C\C(=O)c2cccs2)ccc1F 770569610 QOWGQXIZJIVMPZ-XQRVVYSFSA-N 257.289 3.655 30 20 CHED COc1ccccc1[C@H](C)Sc1cc(C#N)nc(C)n1 882027904 GTLNUIFDGCZCJM-JTQLQIEISA-N 285.372 3.519 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@@H](CF)C1 880232909 GSDRLISYNJFZAK-AWEZNQCLSA-N 274.383 3.669 30 20 CHED Fc1ccc(CNN=Cc2ccc(Cl)cc2F)cc1F 783513594 GDLJLKCXNFACKH-UHFFFAOYSA-N 298.695 3.881 30 20 CHED C=CCOc1ccc(CNc2cccc(Cl)n2)cc1 149864510 WIRIOANQJUPDEH-UHFFFAOYSA-N 274.751 3.912 30 20 CHED CC/C(=C\C(=O)N1CCC[C@](C)(C#N)C1)c1ccc(C)cc1 784745040 IFAVBJRESHOBAS-APEZIOSESA-N 296.414 3.941 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2sccc2Cl)ccc1F 782272373 PFKYSFIHOWKMDR-UHFFFAOYSA-N 299.714 3.895 30 20 CHED Cc1nc2cc(NC(=O)C3(C#N)CCCC3)ccc2s1 781201417 DXDPPXVXWDSMNQ-UHFFFAOYSA-N 285.372 3.627 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 889256517 YOPDSDNXSDDGHF-JTQLQIEISA-N 265.319 3.682 30 20 CHED C#CCC1(C(=O)N2C[C@@H](C)CCC[C@@H]2C)CCCCC1 788446651 FQOSKIOXDSXVMB-HOTGVXAUSA-N 275.436 3.997 30 20 CHED COc1ccc(NN=Cc2c(C)oc3ccccc23)nc1 780276977 RJEONWHORNEITI-UHFFFAOYSA-N 281.315 3.591 30 20 CHED C#CCC1(C(=O)N(C)c2ccccc2F)CCCCC1 788443458 PSIAPTZUBLLNCJ-UHFFFAOYSA-N 273.351 3.762 30 20 CHED C#CCCCCN[C@H]1CC(C)(C)c2cc(OC)ccc21 788985033 RGELOEYKKONECH-KRWDZBQOSA-N 271.404 3.811 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)C1 896503741 MMJXEVJEMYATPJ-ZDUSSCGKSA-N 299.399 3.561 30 20 CHED C[C@@H]1CC[C@@H](C(=O)OCc2ccc(C#N)cc2Cl)C1 784241377 JWLCZSSJOXVMBO-ZYHUDNBSSA-N 277.751 3.691 30 20 CHED C#CCCCCCC(=O)OCc1c(F)cccc1F 780036211 BYHCZXINSLDBDW-UHFFFAOYSA-N 266.287 3.592 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(C3CCC3)cc2)nc1 785455536 NYYUUGVXYMROCX-UHFFFAOYSA-N 276.339 3.583 30 20 CHED O=C(/C=C/c1cnc(-c2ccco2)s1)c1ccco1 789143346 PNPUWCTYKCLRTM-AATRIKPKSA-N 271.297 3.892 30 20 CHED N#Cc1ccc(-c2nc3cc(F)ccc3s2)cc1 75873003 ICZIMBJCJMOWBG-UHFFFAOYSA-N 254.289 3.974 30 20 CHED CCn1cc(/C=C2/CCc3cc(F)ccc3C2=O)c(C)n1 899361332 YRUYXXOVYZSWBW-JYRVWZFOSA-N 284.334 3.563 30 20 CHED COC(=O)C[C@@H]1CCC(=NN[C@H]2CCCCC2(C)C)[C@H]1C 794538624 UBWZMOWXEAAWCB-YDHLFZDLSA-N 294.439 3.510 30 20 CHED FC(F)(F)CCNN=C1CCCc2ccc(Cl)cc21 794546510 UANSAQSISAUOGE-UHFFFAOYSA-N 290.716 3.922 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(OC(C)C)c2)no1 791432596 NEUBRFMKKOXFPN-BQYQJAHWSA-N 271.316 3.666 30 20 CHED Cc1c(C)c(O)c(C=NOC2CCCCC2)c(C)c1O 799885845 OTHZWAHANXBYGN-UHFFFAOYSA-N 277.364 3.706 30 20 CHED CC(C)CN(CCC#N)C(=O)CC1CC(c2ccccc2)C1 798934343 ASILPYUXPOZBGD-UHFFFAOYSA-N 298.430 3.969 30 20 CHED Cc1nc2cc(N[C@H]3CC[C@@H](C#N)C3)ccc2s1 799723347 GBIDMAULYLKYJZ-MNOVXSKESA-N 257.362 3.709 30 20 CHED C#C[C@H](CCC)NC(=O)CCc1ccc(-c2ccccc2)[nH]1 791744506 DUHYFDULEMIOHN-MRXNPFEDSA-N 294.398 3.532 30 20 CHED C[C@@H]1CC[C@@H]1Nc1ccc(OC(F)(F)F)c(C#N)c1 799737913 QPCDTGGODLDYOW-KCJUWKMLSA-N 270.254 3.667 30 20 CHED CC1(C)CCC[C@H]1OC(=O)c1c(F)cc(C#N)cc1F 799494063 AQMAMUHERNFQQE-GFCCVEGCSA-N 279.286 3.572 30 20 CHED CCC(=NOCCCOC)c1c(F)cccc1Cl 795047930 CLWUHUHRJHWKLA-UHFFFAOYSA-N 273.735 3.646 30 20 CHED CC(C)=CCC[C@H](C)CC=NNc1ncncc1F 793209883 BCNVWUQQJNPTBL-LBPRGKRZSA-N 264.348 3.786 30 20 CHED CC[C@H](C)CON=Cc1nc2ccc(F)cc2s1 793159295 MNSBGAOOMRGOHA-VIFPVBQESA-N 266.341 3.832 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1ccnc(F)c1 794935951 NNRUQOYJELWSRJ-CYBMUJFWSA-N 263.360 3.503 30 20 CHED C=CCN(C(=O)N[C@H]1C[C@H](c2ccccc2F)C1)C(C)C 798115273 IFRHKGWZDVFTSM-HDJSIYSDSA-N 290.382 3.678 30 20 CHED Cc1cc(Cl)cc(C(=O)N(C)c2ccc(C#N)cc2)c1 133947611 YMIAFPGFZOBOLE-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C[C@@H]1CC[C@@H](C)N1c1ccc(C#N)c(Br)c1 1307000213 XJUMBFXOLMAZDH-NXEZZACHSA-N 279.181 3.698 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccn1C(F)F 1308830237 ROHYJFKPQCRRQA-GFCCVEGCSA-N 289.329 3.948 30 20 CHED C[C@H](CCc1ccco1)N[C@H](C)c1ccc(C#N)cc1 20144714 AXGZZIYANAEVHH-ZIAGYGMSSA-N 268.360 3.823 30 20 CHED C=CCCC(=O)Oc1ccc(C)c2c1C(=O)C[C@@H]2C 1318157523 IJHDKTXAACESJV-NSHDSACASA-N 258.317 3.557 30 20 CHED CSc1ccccc1N(C)C(=O)CC#Cc1ccccc1 1319133508 GOTPRUVDLMHDRQ-UHFFFAOYSA-N 295.407 3.813 30 20 CHED CO[C@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C12CCC2 1163459821 RKTOZIHXKQXRFX-GJZGRUSLSA-N 299.418 3.620 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)Nc1ccc(C#N)cc1 514100913 BRCBHHUWDKFSKH-CYBMUJFWSA-N 273.380 3.895 30 20 CHED C=CCC1(NCc2ccc(F)cc2[N+](=O)[O-])CCCC1 595780429 RUUDGRLFVVOLPX-UHFFFAOYSA-N 278.327 3.712 30 20 CHED N#CCCCCNCc1ccsc1C(F)(F)F 598963361 NZPFAWQWVNDGFG-UHFFFAOYSA-N 262.300 3.550 30 20 CHED CSc1ccc(C(=O)/C=C/c2cccnc2N(C)C)cc1 1258512121 DIPMYAWTKZZMAV-DHZHZOJOSA-N 298.411 3.766 30 20 CHED Cc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1 1336720558 HIPPTPODSUUZQJ-AWEZNQCLSA-N 258.365 3.506 30 20 CHED C=C[C@H]1CCCCN1Cc1nc(Cl)ccc1Cl 785997330 LLQXPGPNVXFOPP-JTQLQIEISA-N 271.191 3.929 30 20 CHED C=CCCSCCNC(=O)N[C@H](C)c1cc(C)oc1C 1261640925 QTRWWGPHZIMFSL-GFCCVEGCSA-N 296.436 3.566 30 20 CHED C[C@H]1CCC[C@@H](OC(=O)c2ccc(Cl)c(C#N)c2)C1 1264203993 OYGRBTMVQSXJHM-GXFFZTMASA-N 277.751 3.947 30 20 CHED C#CCN(CCCCC1CCOCC1)C1CCCCC1 799117759 YFVJEUWJBQASJK-UHFFFAOYSA-N 277.452 3.851 30 20 CHED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccoc1 1346010967 NMOAKMAPDNJYEA-HIFRSBDPSA-N 283.327 3.971 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)[C@H](CC#N)c1ccccc1 1355755031 SDPKRRDXHAGUDD-MAUKXSAKSA-N 292.382 3.903 30 20 CHED CN(C(=O)c1ccoc1Cl)c1ccc(C#N)c(Cl)c1 1535041636 HPNLYTKTWGAAAT-UHFFFAOYSA-N 295.125 3.735 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1C 1527387615 LEAOZEYTAHYEGW-HOCLYGCPSA-N 284.403 3.813 30 20 CHED N#Cc1ccc(C(=O)NCCC2CCCCC2)cc1Cl 1525073920 SKGQLZKOQPSNQG-UHFFFAOYSA-N 290.794 3.912 30 20 CHED CSc1cccc(COC(=O)c2cccc(C#N)c2C)c1 1531164883 VBGREKPTWXQBLS-UHFFFAOYSA-N 297.379 3.946 30 20 CHED Cc1ccnc(SCc2ccc(C#N)cc2F)c1 1614944639 MMVZVJUBKARDIF-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=CCc1ccc(OCCSCC)c(OC)c1 155073892 NZYLTFMFLJLHKW-UHFFFAOYSA-N 252.379 3.556 30 20 CHED CC(C)C[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 1559649552 JDNMJMVCZDTXFM-QGZVFWFLSA-N 286.419 3.695 30 20 CHED Cc1ccc(F)c(CCNc2nc(Cl)c(C#N)s2)c1 1559191521 POAVXVUNARTKBY-UHFFFAOYSA-N 295.770 3.770 30 20 CHED CC1CCC(C)(CNC(=O)Nc2ccc(C#N)cc2)CC1 1562052284 LLRZPKWQFOZBCL-UHFFFAOYSA-N 285.391 3.896 30 20 CHED CCCC[C@@H](CCC)CNc1nnc(C)c(C)c1C#N 1650849344 DJGIGFVGOHTOKG-CQSZACIVSA-N 274.412 3.984 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(Cl)cc1C(=O)O 1588691271 WDPHZNBAOHIVMP-SECBINFHSA-N 281.739 3.579 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@H](CC(C)(C)C)C1 1654751499 FSKDBGFBQFVAKN-OAHLLOKOSA-N 286.419 3.825 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c(C)n1 1585045824 CLPGBNWUAMSJCT-GDBMZVCRSA-N 299.418 3.598 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CCC[C@H]2CCC(C)C)n1 1651482324 FQODUYIPVYKWHN-ZFWWWQNUSA-N 286.423 3.927 30 20 CHED CC[C@@H](Nc1ncccc1C#N)c1ccc(F)cc1 1651678763 ZXTMYDFLOJAIAA-CQSZACIVSA-N 255.296 3.656 30 20 CHED C[C@H](NC(=O)Nc1sccc1C#N)[C@H]1C[C@H]2CC[C@H]1C2 1673279313 SBSFEGISIALXNT-MRBYEJRBSA-N 289.404 3.566 30 20 CHED Cc1c(NN=C[C@H]2CCC[C@@H](C)C2)cccc1C(=O)O 1776087023 DLCCVZSEGFZOPY-YPMHNXCESA-N 274.364 3.917 30 20 CHED O=C(O)c1ccccc1NN=C1CCCc2c(F)cccc21 1776031232 USSJDOJVQKSUMQ-UHFFFAOYSA-N 298.317 3.676 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCO3)c1 14202533 RVVYIWPQCIBYDW-FNORWQNLSA-N 280.323 3.526 30 20 CHED N#CCOc1cc(F)ccc1NCc1ccccc1Cl 150765828 LEXZDFXJDKKJOF-UHFFFAOYSA-N 290.725 3.994 30 20 CHED C=C(Cl)C[S@](=O)[C@@H](CC)c1ccc(F)cc1 150812750 XKOGTBJFQVBZBN-BLLLJJGKSA-N 260.761 3.778 30 20 CHED C=CCN(C)C(=O)CC(c1ccccc1)c1ccccc1 161492472 LNCDRJBRFNZFGQ-UHFFFAOYSA-N 279.383 3.853 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 162877906 SULLNEOEQKPBNU-INIZCTEOSA-N 270.376 3.599 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2)cc1C 206400043 LNWBNKVXFXMPAN-NTMALXAHSA-N 252.313 3.900 30 20 CHED Cc1cccc(N2CCN(CC(C)(C)CCC#N)CC2)c1C 158919197 BLVXFBSBEDWZNA-UHFFFAOYSA-N 299.462 3.755 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(-c2ccccn2)c1C 165496228 JPIHAMNPXGVQOH-UHFFFAOYSA-N 292.382 3.871 30 20 CHED CC[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 166540909 HUUYJGOPXWHABK-GXFFZTMASA-N 298.308 3.581 30 20 CHED CCc1ccccc1NC(=O)c1c(F)cc(C#N)cc1F 152972475 SSVXXEWDZPMOKD-UHFFFAOYSA-N 286.281 3.651 30 20 CHED CC1(c2ccccc2)CCN(CCCSCC#N)CC1 153678662 ZNXYRTGIUFGUEP-UHFFFAOYSA-N 288.460 3.687 30 20 CHED CCCCCCC[S@](=O)c1ccc(COC)cc1 153905669 KOHVNDUTWVDRMK-GOSISDBHSA-N 268.422 3.911 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 156198399 APDOGCWJJOEAGS-KRWDZBQOSA-N 298.361 3.790 30 20 CHED CC#CCCSc1nnc(-c2ccc(Cl)s2)o1 155301306 NMVJWVBKENZYJB-UHFFFAOYSA-N 284.793 3.957 30 20 CHED CC1(C)CCC(C(=O)N[C@@H](C#N)c2ccccc2F)CC1 157924464 MYSHJPNPBZWDNI-HNNXBMFYSA-N 288.366 3.723 30 20 CHED C=CCOCCCC(=O)Nc1cc(CC)nc2ccccc12 154732345 VQNGQTNHPDLWLR-UHFFFAOYSA-N 298.386 3.719 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(F)c(C#N)c2)n1 159839478 DNHITQWHIMIMED-SFHVURJKSA-N 295.361 3.738 30 20 CHED N#CCC1CCN(Cc2ccc(Cl)cc2F)CC1 260489624 KUDKDFABWBTELJ-UHFFFAOYSA-N 266.747 3.605 30 20 CHED COCCCCCNc1ccc(C(F)(F)F)cc1C#N 229720976 DXIRVPWPVDSTRP-UHFFFAOYSA-N 286.297 3.806 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C#N)cc1 45796689 HRIAHZYQSBIKIN-UHFFFAOYSA-N 262.356 3.746 30 20 CHED C=CCOc1ccccc1CNCc1sccc1C 75675494 AFPSTCWTICVOGO-UHFFFAOYSA-N 273.401 3.911 30 20 CHED Cc1ccc(F)c(CNc2cccc(CC#N)c2)c1 313434428 DTRBEGIUVKBQHL-UHFFFAOYSA-N 254.308 3.812 30 20 CHED Cc1cc([C@@H](C)NCCc2cccc(C#N)c2)cs1 453233168 YWHNYNVUJMOZNX-CYBMUJFWSA-N 270.401 3.822 30 20 CHED CC(C)[C@@H](C#N)NC(=O)C1CC(C)(C)CC(C)(C)C1 597189062 QGPMIDRKVAWKNG-CYBMUJFWSA-N 264.413 3.503 30 20 CHED N#Cc1cc(F)cc(OCCSc2ccccc2)c1 388759542 KXBKFQCCMGTLLG-UHFFFAOYSA-N 273.332 3.868 30 20 CHED C[C@H](CC(=O)N1CCC(CC#N)CC1)CC(C)(C)C 397316219 VEALBAURWNUBIC-CYBMUJFWSA-N 264.413 3.601 30 20 CHED CC[C@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1Cl 399742110 JHTAMDPOSGSWBH-FZMZJTMJSA-N 262.784 3.832 30 20 CHED C#CCCCCC(=O)N(Cc1ccccc1)CC(C)C 773291027 DZPZIYFJWWPQEV-UHFFFAOYSA-N 271.404 3.865 30 20 CHED Cc1ccc(CSCCNCc2ccc(C#N)cc2)cc1 57601279 LSLLFKWRCGHVBM-UHFFFAOYSA-N 296.439 3.890 30 20 CHED C[C@H]1C[C@@H]1NCc1cccc(OCc2ccccc2C#N)c1 109015646 WVWRKMRRZRCPPE-LIRRHRJNSA-N 292.382 3.635 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cn(C)c2ccccc12 58287806 ZLUHLHIZQDPMTG-UHFFFAOYSA-N 289.338 3.611 30 20 CHED CC(C)C1(CNc2ncc(Br)cc2C#N)CC1 310384052 PZRXMNSVEREARS-UHFFFAOYSA-N 294.196 3.564 30 20 CHED CC1(C)Cc2cc(C(=O)NCC#N)sc2-c2ccccc21 102639504 MFDZEDIEIVEETP-UHFFFAOYSA-N 296.395 3.502 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] 179772930 IGNRWFKDGIZNEB-SNVBAGLBSA-N 296.754 3.723 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)Nc1ccc(C#N)cn1 52325257 DLTYYKYGEJTQIJ-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC[C@H]1CC[C@@H](C)O1 175003110 QJRPDLNPQWZXGH-ZIAGYGMSSA-N 293.432 3.610 30 20 CHED N#Cc1ccc(NCc2ncc(-c3ccccc3F)o2)cc1 174293475 RMIQSPFOGFLCEV-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CCO[C@@H]1C[C@H](NCC(C)(C)CCC#N)C1(CC)CC 175037270 QUIJOZVOFHNABP-LSDHHAIUSA-N 280.456 3.890 30 20 CHED C#CCN(Cc1ccn(C(C)C)n1)[C@H]1CCc2ccccc21 172012135 RFJAQDBFXNMXBF-IBGZPJMESA-N 293.414 3.587 30 20 CHED N#CC1(NC(=O)c2cc3cc(F)ccc3o2)CCCCC1 172114898 GHLXCPORBBAXOY-UHFFFAOYSA-N 286.306 3.528 30 20 CHED Cc1ccc(Cl)cc1CNc1nc2ccccn2c1C#N 302723673 QRJLPRHAQSFWJL-UHFFFAOYSA-N 296.761 3.780 30 20 CHED CCc1nnc(N[C@@H](C)c2cc(C)oc2C)c(C#N)c1CC 301625168 PRKIQZMTOACQEG-NSHDSACASA-N 298.390 3.856 30 20 CHED C=CC[C@H](C)NC(=O)CSCc1ccc(Cl)cc1 116863923 VBJMXNGNYBZPMH-NSHDSACASA-N 283.824 3.654 30 20 CHED N#Cc1nc(NCc2cc3ccccc3o2)ccc1Cl 67368081 WQJQHWJCPJADTO-UHFFFAOYSA-N 283.718 3.965 30 20 CHED CN(CC[C@@H]1CCCO1)c1ccc(C#N)cc1C(F)(F)F 302718926 OETLBTDWIOXFKS-LBPRGKRZSA-N 298.308 3.582 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(F)c2)cc1[N+](=O)[O-] 28699897 WKIXRMMHGAJNLG-BQYQJAHWSA-N 285.274 3.938 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C 179829745 MUOOVIJWPHHGBV-YPMHNXCESA-N 271.364 3.519 30 20 CHED CN(C)[C@@H](CNc1ccc(C#N)cc1)c1ccccc1Cl 301073012 GHTSUBJGCFWSFK-KRWDZBQOSA-N 299.805 3.926 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2COc2ccccc2)cc1 112984897 VXINJRHNEXAPKV-SFHVURJKSA-N 292.382 3.602 30 20 CHED COc1cccc([C@H](C)Nc2ccc(OCC#N)cc2)c1 20126501 FXIHUZSUTDDKNJ-ZDUSSCGKSA-N 282.343 3.771 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C)[C@@H](C)CC#N 177630565 QTKZBYPHKLOXSE-KBPBESRZSA-N 252.402 3.744 30 20 CHED C[C@@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1F 125321472 ISZPBYRPMGXMCN-ZDUSSCGKSA-N 288.366 3.614 30 20 CHED C=CCCCC(=O)N(CC)c1ccc(Br)cn1 175668176 STLLEEGTESKNBL-UHFFFAOYSA-N 297.196 3.553 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CS[C@H](C)C1 412604084 PCNWJCXPFWPCDE-NEPJUHHUSA-N 293.457 3.589 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 33403075 NANZDXIFHBIVTM-TWGQIWQCSA-N 271.247 3.630 30 20 CHED CCCN(CC)Cc1ccc(Br)cc1C#N 336678043 WOTDZYBUOHOGLO-UHFFFAOYSA-N 281.197 3.553 30 20 CHED Cc1cc(CN(CCC#N)CC(C)(C)C)cs1 449021478 CQEZGGUKRSGSRS-UHFFFAOYSA-N 250.411 3.818 30 20 CHED CCC(CC)[C@@H]1C[C@@H](NCc2cc(C#N)cs2)CCO1 180374843 KHBDKWNYQOTMBP-HOCLYGCPSA-N 292.448 3.693 30 20 CHED C=CCSCCNC(=O)c1ccccc1C(C)(C)C 124476783 SPFVRBLMSXNNHY-UHFFFAOYSA-N 277.433 3.633 30 20 CHED C[C@@H](CCC#N)Sc1n[nH]c(-c2cc(F)cc(F)c2)n1 188318458 HKGLECYPNDKWRZ-QMMMGPOBSA-N 294.330 3.534 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(Cl)nc3ccccn23)o1 120089450 SZXRCSRDQUOOPX-VOTSOKGWSA-N 286.718 3.785 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@H]2CCC[C@H](C)C2)c1 78256630 ZTGSYEYBRASZML-BBRMVZONSA-N 270.376 3.710 30 20 CHED CCCC(CCC)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 410626156 PAYNZYWDQPRRPH-CZUORRHYSA-N 264.413 3.791 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(C#N)cc1F 524757308 JSZJAAJQMZHZIO-MRRJBJDNSA-N 272.367 3.850 30 20 CHED CC(=O)[C@@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 181061787 NXCJMWHDXFGXQC-MRVPVSSYSA-N 273.279 3.647 30 20 CHED C=CC[C@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 189356795 OUGZYYVYKFTLOH-AWEZNQCLSA-N 291.354 3.861 30 20 CHED CC#CCCCC(=O)N1CCCCC[C@H]1c1ccco1 185850514 SPKOTHHNLKBIGW-HNNXBMFYSA-N 273.376 3.917 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(C1CC1)C1(C#N)CCC1 410751533 XFUVKZCQYPGOIS-UKRRQHHQSA-N 274.408 3.640 30 20 CHED COc1cc(C#N)ccc1NC(=O)C(C1CCC1)C1CCC1 318964857 ZMDUUCCOXSDNES-UHFFFAOYSA-N 298.386 3.722 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2cccc(F)c2C#N)CC1 188021603 LVXUVNDAUOVHKV-CYBMUJFWSA-N 288.366 3.596 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(Cl)c(F)c2)c1 46000594 MFAVWZXNTPIWNJ-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CCC(OCC2CCCC2)CC1 185802933 IQVRYVZMZLRAMC-OAHLLOKOSA-N 293.451 3.787 30 20 CHED N#Cc1cc(Cl)ccc1COc1cccc2c1CCC2=O 185303561 BXJPSAGAXJKRET-UHFFFAOYSA-N 297.741 3.920 30 20 CHED C=CCN(c1ncc(Cl)cc1Br)C1CC1 159850267 SHBLFYCLLNPMKR-UHFFFAOYSA-N 287.588 3.652 30 20 CHED CC[C@H](CC#N)NCc1ccc(OCC(C)C)cc1 184096393 SEMYPOXWKNIKCV-OAHLLOKOSA-N 260.381 3.503 30 20 CHED Cc1ccc(C)c(CSc2ccc(C#N)cn2)c1 74343625 BNUXNFRPKDSYAU-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416080257 OMCHMCAJXJANGY-LBPRGKRZSA-N 257.377 3.953 30 20 CHED CCC[C@@H](C)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 48474352 SALVOQKEJRLCPN-SNVBAGLBSA-N 279.771 3.864 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC)C(F)F 413823871 BGSREAGRNOKTEE-UONOGXRCSA-N 296.361 3.517 30 20 CHED Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(F)c1 43324486 BIHXPMKWZMQCOY-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(F)c(OC(F)F)cc1F 410787819 UMGKWMGUAASRAK-UHFFFAOYSA-N 291.244 3.717 30 20 CHED C=CCCC(=O)N1CCCc2cc(F)cc(Cl)c21 415903204 ZNFQTPDTORHUKR-UHFFFAOYSA-N 267.731 3.725 30 20 CHED C=CCNC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 48979444 KGNXKUUBKVXOBT-LBPRGKRZSA-N 272.348 3.711 30 20 CHED CC(C)(C#N)CNC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 502662759 AQTYWDSHNGKUCA-KBPBESRZSA-N 293.455 3.830 30 20 CHED CC(C)(C#N)CCOc1ccc(Br)cc1C=O 87592251 RRYSZZPFDVFBEC-UHFFFAOYSA-N 296.164 3.580 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)CCC1CCCCC1 45244308 ORGLGEYHZXKJNH-UHFFFAOYSA-N 284.403 3.877 30 20 CHED O/C(=N\CC/N=C(/O)C1CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329210039 YSSHLGGKDIXYRC-AEGPPILISA-N 292.423 3.916 30 20 CHED COc1ccc(CN2CCC[C@@H]2c2cccs2)cc1C#N 134954114 YVWWLVHDXCUMGK-OAHLLOKOSA-N 298.411 3.965 30 20 CHED C[C@](C#N)(NC(=O)c1cccc2[nH]ccc12)C1CCCCC1 81750758 LFCAUMYMUFVOBL-GOSISDBHSA-N 295.386 3.760 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 136162997 GVWVXSGFGNRJII-GFCCVEGCSA-N 289.354 3.741 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)CC1CCCCC1 194618358 MPJXNKDPCKJUOI-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CC1CC(F)(F)C1 425540115 UURLFUDWAFWCCN-LLVKDONJSA-N 264.319 3.596 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccccc1OCC1CC1 424686305 QAPMIISIWXNYKG-UHFFFAOYSA-N 287.403 3.694 30 20 CHED Cc1ccc(CNc2cccc(OCCCC#N)c2)nc1 134210367 KWWFBLFURZAHOU-UHFFFAOYSA-N 281.359 3.685 30 20 CHED C=CCCC(=O)COc1ccc(F)cc1Br 134656160 BALBZBIJNAXPBM-UHFFFAOYSA-N 287.128 3.502 30 20 CHED CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[C@H]1C(C)(C)C 425856711 FLMRRXUZBYHWMO-GBJTYRQASA-N 291.439 3.535 30 20 CHED N#CC1(C(=O)OCc2ccccc2Cl)CCCCC1 194313259 KFIHOUGFJYEZAU-UHFFFAOYSA-N 277.751 3.857 30 20 CHED CCC[C@@H](CC)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425434652 QKXWVZXDWMVHIA-XJKSGUPXSA-N 287.407 3.839 30 20 CHED CCc1ccc([C@H](C)CC(=O)O[C@@H](C#N)CC)cc1 84711201 SGWXUHKYARNBSS-IUODEOHRSA-N 259.349 3.588 30 20 CHED Cc1ccccc1-c1csc(NC(=O)[C@@]2(C#N)C[C@H]2C)n1 336248672 FGIFKQZIJCSMFG-BDJLRTHQSA-N 297.383 3.607 30 20 CHED Cc1ccnc(CNc2ccccc2C#Cc2ccccc2)n1 339408389 APHOZQSYBILLCB-UHFFFAOYSA-N 299.377 3.797 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)c(F)c1 192103725 SSZPDPKPUUSNBM-LBPRGKRZSA-N 284.334 3.596 30 20 CHED C[C@]1(/N=C(/O)c2ccc(F)c(C#N)c2)CC=CCC1 331359533 WPRAVEKFDKBFLP-HNNXBMFYSA-N 258.296 3.501 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c2ncccc2c1 336422218 VQEUVNMDKVMKOD-GXTWGEPZSA-N 251.333 3.647 30 20 CHED N#CCc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1 420938311 AQRCLDFWMCGTLL-HNNXBMFYSA-N 296.336 3.917 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 425844340 LDNOELIRACEUBG-UAGQMJEPSA-N 299.418 3.717 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCc1ccc(C#N)s1 421602700 NAGZIIPBGRFDID-LBPRGKRZSA-N 278.421 3.698 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1CCC2(CC1)CC2 333188872 VBTBVUNNZWHUNY-UHFFFAOYSA-N 283.375 3.711 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CC=CCC1 425649530 DOPDQAFDIZQAET-HUUCEWRRSA-N 297.402 3.617 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)c1 331907299 YBWKAMNACUMHSL-GOEBONIOSA-N 283.375 3.663 30 20 CHED C=CC[C@H](CC)NCc1ccc(-c2cnn(C)c2)s1 337878861 WQURBGRJOFYPMV-ZDUSSCGKSA-N 275.421 3.593 30 20 CHED N#CCCCCNCc1csc(-c2cccs2)n1 237818472 YMGTZFWVSXBDMH-UHFFFAOYSA-N 277.418 3.655 30 20 CHED Cc1c(C#N)cccc1NCc1cnoc1-c1ccco1 338204880 IADQUDBFWOVXFL-UHFFFAOYSA-N 279.299 3.727 30 20 CHED C[C@@H]1SCCN(CC#Cc2cccc(Cl)c2)[C@@H]1C 438100688 MSKACRAFBPIDPZ-OLZOCXBDSA-N 279.836 3.517 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1[C@@H](C)[C@H]1C1CC1 528101374 PKTUYQZOHJLNPY-DOPJRALCSA-N 299.414 3.502 30 20 CHED C=C(C)COc1cc(CN[C@H]2CC[C@@H](C)C2)ccc1OC 436415017 TVRGYNALUSBPLW-ZBFHGGJFSA-N 289.419 3.928 30 20 CHED C=CCN1CC[C@@H](S[C@@H]2CCCc3ccccc32)C1=O 347693816 GKGKDKIKAPOZFK-HZPDHXFCSA-N 287.428 3.584 30 20 CHED CC(=O)c1cc(NCC(C)(C)CCC#N)ccc1[N+](=O)[O-] 340901399 PYUBKYOGYXOYLR-UHFFFAOYSA-N 289.335 3.539 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(C)nsc1NC1CC1 345487831 LBRVWGVRCACHLV-SNVBAGLBSA-N 293.436 3.500 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)NCC2(CC#N)CC2)c(C)c1 431060471 YWGFGTSWXBGVMN-HNNXBMFYSA-N 299.418 3.700 30 20 CHED C[C@H](CNc1cccc(C#N)c1)c1ccc(F)cc1 437595100 XODJARUZOQHAQE-GFCCVEGCSA-N 254.308 3.913 30 20 CHED Cc1ccc(CSCCNC[C@H](C)CCC#N)cc1 602507933 LYLPIQPTUHTMBE-OAHLLOKOSA-N 276.449 3.758 30 20 CHED C=C(C)CSCc1ccn(-c2ccccc2F)n1 438302148 HZNXNNJVJICOGJ-UHFFFAOYSA-N 262.353 3.821 30 20 CHED C[C@H](CC#N)NCc1ccc(-c2ccccc2)cc1 609449212 GUTVVGOFBYQVJD-CQSZACIVSA-N 250.345 3.745 30 20 CHED C=CCC[C@@H](NCc1cc(F)ccc1F)C1CC1 439004836 RVNOHWKGGQAUGW-OAHLLOKOSA-N 251.320 3.799 30 20 CHED CCc1cnc(CN(CCC#N)CC(CC)CC)s1 346144417 FMGVZMLLOAWLGK-UHFFFAOYSA-N 279.453 3.857 30 20 CHED N#CCC1(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 602840236 MJPGGFFAEXYUPH-INIZCTEOSA-N 294.402 3.784 30 20 CHED C=CCCN(C)C(=O)c1ccc(C)c(C(F)(F)F)c1 529127622 FSAQYMXQFXWWSZ-UHFFFAOYSA-N 271.282 3.662 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(OC(F)F)cc1 347454685 WTROJMAWZZXYFB-RJRFIUFISA-N 272.254 3.725 30 20 CHED C[C@@H](CC#N)NCCCSc1ccccc1Cl 602861231 GGAIFARSQGACGY-NSHDSACASA-N 268.813 3.714 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 528525800 WRTXIIBRMQCHGZ-URLQWDBASA-N 299.414 3.694 30 20 CHED N#CCCCCNC1CCC(c2ccc(O)cc2)CC1 344273807 AGDYYMLWBCSZDS-UHFFFAOYSA-N 272.392 3.702 30 20 CHED Cc1ncc([C@@H](C)NCc2ccc(Cl)cc2C#N)s1 602956270 NWZLPWTVBDKHAY-SECBINFHSA-N 291.807 3.827 30 20 CHED COc1ccc(-c2n[nH]cc2/C=C\C(=O)c2ccco2)cc1 255067005 RUILLSBGENJUTE-TWGQIWQCSA-N 294.310 3.574 30 20 CHED C=CCOc1cccc(NC(=O)C2(C(F)(F)F)CCC2)c1 448784042 SBHAKCQQBNGANE-UHFFFAOYSA-N 299.292 3.923 30 20 CHED N#C[C@@]1(C(=O)Nc2cccc3cnccc23)CC12CCCC2 602222726 IKCINKZVPPBQCM-GOSISDBHSA-N 291.354 3.647 30 20 CHED C=CCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@H](C)CC 522577700 XEKAGOHDTCSSSJ-MLGOLLRUSA-N 285.391 3.733 30 20 CHED CO[C@H](CNC[C@@H](C)CCC#N)c1ccc(Cl)cc1 602568621 PMHWCFDIBMBAGC-SWLSCSKDSA-N 280.799 3.557 30 20 CHED C=CCCCCCN(C)Cc1ccc(C#N)c(OC)c1 442873887 AEZKEJTZHCDYKR-UHFFFAOYSA-N 272.392 3.745 30 20 CHED Cc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1C(F)(F)F 448622094 OGOVJYFQVGGXDS-TVQRCGJNSA-N 282.265 3.502 30 20 CHED C=CCCC1(C(=O)N[C@H](C)CCc2ccc(C)o2)CC1 356190414 KCLZKGDQKOPZHN-CYBMUJFWSA-N 275.392 3.772 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccnc1)CCO2 255584006 WWGNFOZINAAMRD-XNTDXEJSSA-N 279.339 3.747 30 20 CHED C=C(C)[C@@H](CC(=O)NC(CC(C)C)CC(C)C)OCC 535911130 WKHNPJLBPMZTIV-MRXNPFEDSA-N 283.456 3.935 30 20 CHED CCC1CCN(Cc2cccc(OCCCC#N)c2)CC1 352383630 LTLRYUNDBVWUKG-UHFFFAOYSA-N 286.419 3.991 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 609566616 SZIRSOFKQPYCJM-AWEZNQCLSA-N 296.345 3.905 30 20 CHED COc1cccc(OCCSc2ccc(C#N)cc2)c1 443534759 YQKXYRCVNMCWFD-UHFFFAOYSA-N 285.368 3.738 30 20 CHED C[C@H](CN(C)C(=O)c1sccc1C#N)C1CCCCC1 530039860 MJJVSFSABKOSHT-GFCCVEGCSA-N 290.432 3.908 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)c1ccc(Cl)c(C#N)c1 537580227 BCYUHQLHWHJTJR-NEPJUHHUSA-N 290.794 3.862 30 20 CHED C=CCCC1(C(=O)N2Cc3ccccc3[C@@H]2C)CC1 356258630 FOFKRNTXXVLIJK-ZDUSSCGKSA-N 255.361 3.836 30 20 CHED C[C@H]1C[C@@H](C)CN(C[C@H](C)N[C@@H](C)c2cccc(C#N)c2)C1 537296358 YTZPOIFGYLDJJB-YVSFHVDLSA-N 299.462 3.575 30 20 CHED C=CCC[C@@H](NCCc1nc(C)oc1C)c1ccco1 353399826 DOAGGPHWHFEXSZ-OAHLLOKOSA-N 274.364 3.724 30 20 CHED C=CCn1c(C)nnc1SC[C@H](C)CC(C)C 538570462 UOEUADHJNPPCOC-LLVKDONJSA-N 253.415 3.547 30 20 CHED C=CCN(C(=O)N[C@H](C)Cc1cc(C)cc(C)c1)C1CC1 536796064 JNCFMJZNPAJKRL-OAHLLOKOSA-N 286.419 3.594 30 20 CHED CC[C@@H](NCCOc1ccc(C)cc1)c1ccc(C#N)cc1 447509846 GMUXJXPKCOVLAE-LJQANCHMSA-N 294.398 3.986 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)c3ccccc32)CC1 444773889 GUWMZYIPISLXSE-QGZVFWFLSA-N 274.367 3.942 30 20 CHED C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H](C)C1 356496519 JHGZXXLMCRZZSS-RYRKJORJSA-N 298.430 3.969 30 20 CHED C=CC1CCN(CCCCN2CCC(C=C)CC2)CC1 534275456 QHSLETNYSFOKLU-UHFFFAOYSA-N 276.468 3.563 30 20 CHED N#CC1(F)CCN(Cc2ccc3ccccc3c2)CC1 352462662 FRUKITRKLBCVEO-UHFFFAOYSA-N 268.335 3.667 30 20 CHED C[C@H](c1cc(F)ccc1F)N1CCC[C@@](C)(C#N)C1 612159639 XDRDJRUVUKGPQM-ABAIWWIYSA-N 264.319 3.651 30 20 CHED C[C@H](Cc1coc2ccccc12)NCC1(CC#N)CC1 449303500 YGJPLUZGXRWPRF-CYBMUJFWSA-N 268.360 3.647 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC1CCC2(CC1)CC2 618807743 WGKIGCCUKCFDLP-QGZVFWFLSA-N 266.388 3.858 30 20 CHED N#CCSCC(=O)Nc1ccccc1Oc1ccccc1 357123013 BLAJLERECDNJPA-UHFFFAOYSA-N 298.367 3.674 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1CC(C)C 448635952 VUOHTARBSISNNW-UKRRQHHQSA-N 277.433 3.945 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(C#N)cc1C 614397694 PPPPIPBMOZSGIL-UHFFFAOYSA-N 278.399 3.931 30 20 CHED C[C@H](NC(=O)C1CCCCCC1)c1cccc(C#N)c1 610360692 CSOBFSBWFNCCRP-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED CC(C)(CCC#N)CN1CCC[C@]2(CCSC2)C1 449729271 ACHZSAXXBODFCC-HNNXBMFYSA-N 266.454 3.535 30 20 CHED N#CCCCC(=O)N[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 360543612 HSGDHCZOAJGDNQ-MFKMUULPSA-N 297.185 3.659 30 20 CHED CCCN(Cc1cccc(C#N)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 265872541 MRDYZVXPEHBNNG-RCCFBDPRSA-N 298.430 3.584 30 20 CHED C=C(C)CN(C)Cc1c(C)nc2scc(C3CC3)n12 459461679 LZSNLNGKBHGYDR-UHFFFAOYSA-N 275.421 3.590 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@]1(C)C(C)C 459257536 UEZLSYWXDPFWMJ-GDBMZVCRSA-N 292.448 3.880 30 20 CHED C[C@@H](CCNC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612117526 TTWSLBGLDPKKML-MAUKXSAKSA-N 299.418 3.515 30 20 CHED CC(C)CCN(CCC#N)C[C@@H]1CCOc2ccccc21 611268833 YAYHDLCAYVDFGN-INIZCTEOSA-N 286.419 3.814 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1nc2ccsc2s1)OCC 270014080 BNBHDHLKWBZADF-SNVBAGLBSA-N 296.417 3.668 30 20 CHED CCOc1ccc2nc(S[C@H]3CC[C@@H](C#N)C3)[nH]c2c1 450621284 ICGBIXFJEKBFSB-PWSUYJOCSA-N 287.388 3.746 30 20 CHED C[C@@]1(C#N)CCCN([C@H]2CCCc3ccccc32)C1 612166522 XCUZOGUDLOZZMQ-IRXDYDNUSA-N 254.377 3.690 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1cccc2ncccc12)OCC 270536970 XANHGCNXZLGWQK-QGZVFWFLSA-N 298.386 3.569 30 20 CHED C[C@H]1CCC[C@H](C(=O)NCc2ccc(C#N)c(Cl)c2)C1 619768121 USMMHWDHNKYJLD-AAEUAGOBSA-N 290.794 3.654 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(Cl)cncc2Cl)C1 617779348 ZHHBMSKLKALACG-JTQLQIEISA-N 299.201 3.817 30 20 CHED COc1ccc(CN(CC2(C#N)CCC2)C(C)(C)C)cc1 451039164 XSBGACVCJKMGND-UHFFFAOYSA-N 286.419 3.990 30 20 CHED C[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1cccc(C2CC2)c1 458901307 KNIQRMJBTYXNSI-CYBMUJFWSA-N 299.418 3.816 30 20 CHED COc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618802449 KMOOJVNFRSABHP-ORAYPTAESA-N 292.382 3.905 30 20 CHED CC#CC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 277767285 SSMCAMRKCXARLF-UHFFFAOYSA-N 277.751 3.623 30 20 CHED N#CCc1ccc(C(=O)NC2(c3ccccc3)CCC2)cc1 270194618 BAPODOWKFGRAMR-UHFFFAOYSA-N 290.366 3.562 30 20 CHED C=CCSc1ccccc1C(=O)NCCCCCOC 362389265 NBPAKIXQAJVIOS-UHFFFAOYSA-N 293.432 3.511 30 20 CHED C=CCC1(CNC(=O)CCc2nc(C)cs2)CCCC1 456509620 QPDWSGPARMGIKB-UHFFFAOYSA-N 292.448 3.637 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1c(C)n[nH]c1C 279708337 SETOFCPYFPGRKC-UHFFFAOYSA-N 269.392 3.605 30 20 CHED C=CCC[C@H](NCCc1c(C)noc1C)c1ccco1 279093456 UNWLBAYOABUKLA-HNNXBMFYSA-N 274.364 3.724 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCc4ccccc43)CC2)c1 272311757 TXNWONPEPKFKAL-GOSISDBHSA-N 274.367 3.824 30 20 CHED CC(C)(C)C[C@@H](NC(=O)NCCCC#N)c1ccccc1 273457457 DGRXHKNOQVYTNK-OAHLLOKOSA-N 287.407 3.767 30 20 CHED CC(C)Oc1ccc([C@H](C)NC(=O)CC(C)(C)C#N)cc1 278645159 ZOSPFBTUXPPZJX-ZDUSSCGKSA-N 288.391 3.591 30 20 CHED N#Cc1ccc(SCc2ccno2)cc1C(F)(F)F 542934114 CZWGMGAICPRPLD-UHFFFAOYSA-N 284.262 3.857 30 20 CHED C=CCC[C@H](NC[C@H]1[C@H]2c3ccccc3C[C@H]21)C1CC1 540162687 IMUZWGICXXJSJK-RDGPPVDQSA-N 267.416 3.907 30 20 CHED C=CCNC(=O)C[C@H](Cc1ccccc1)c1ccccc1 460816117 QLZRDZFNVXWALD-SFHVURJKSA-N 279.383 3.705 30 20 CHED C[C@@H](CS(=O)(=O)CCCC(C)(C)C#N)c1ccccc1 280019513 OMTRFFXYLBLBBL-AWEZNQCLSA-N 293.432 3.535 30 20 CHED Cc1cccc2cc(C(=O)NCCCCC#N)sc12 289497406 YVLOGIHPJKDXQA-UHFFFAOYSA-N 272.373 3.633 30 20 CHED C=CCn1c(SCCF)nnc1-c1cccc(Cl)c1 463441818 JGIJJONSYAIOJK-UHFFFAOYSA-N 297.786 3.846 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC=C(c2cccc(OC)c2)CC1 375125218 MQQYPKZLLMSLKR-HNNXBMFYSA-N 299.414 3.913 30 20 CHED N#CCCCNCc1cnc(-c2ccc(Cl)cc2)s1 284069232 UIDOUVCKJBQHHT-UHFFFAOYSA-N 291.807 3.857 30 20 CHED C=CCCN(C)C(=O)NCCSc1ccc(Cl)cc1 466978748 IKHPHILHPRLBTK-UHFFFAOYSA-N 298.839 3.650 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(COc2ccccc2)cc1 465119378 HWSRIMPOVYOKLE-AWEZNQCLSA-N 281.355 3.570 30 20 CHED C[C@H](C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 461735605 ICYYMHCOLOXUTL-BKZBBRBJSA-N 296.414 3.603 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)CCC1CC1 469386685 RPQYRCWXQFMZKB-CHWSQXEVSA-N 252.402 3.609 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 467006399 UQZSQCPPNHQGHD-MRXNPFEDSA-N 290.382 3.884 30 20 CHED CC1=CC[C@H](NCCSCc2ccccc2C#N)CC1 550934174 XGAHZGYHDQQYAB-KRWDZBQOSA-N 286.444 3.880 30 20 CHED CCC(CC)[C@H](NC(=O)[C@@H](C)C#N)c1cccs1 467951204 BLKWSRHYICSAJS-GWCFXTLKSA-N 264.394 3.501 30 20 CHED CC(/C=C/c1ccc(C#N)cn1)=C\c1cccc([N+](=O)[O-])c1 468943885 KKXMKMAOUVMCRC-WWFUZLPXSA-N 291.310 3.978 30 20 CHED C[C@H](C1CC1)N(Cc1ccccc1)CC1(CC#N)CC1 385898698 YBDQQXGNKREWJD-OAHLLOKOSA-N 268.404 3.981 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2Cc3ccccc3O2)n1 551136250 PZTRGYSWQHPNDN-ZDUSSCGKSA-N 270.332 3.600 30 20 CHED Cc1cccc2cc(C(=O)NC3(C#N)CCCCC3)oc12 299419933 FISYLGORAJNWAB-UHFFFAOYSA-N 282.343 3.698 30 20 CHED C[C@H]1/C(=C\c2ccc(C#N)cc2)C(=O)c2ccccc21 809159796 WYOSWAWQAKUTTK-YXHQGMJNSA-N 259.308 3.942 30 20 CHED CCOc1ccccc1[C@H](CC)N[C@H](C)CCC#N 299727282 VEMKRWMWHDLQKY-HIFRSBDPSA-N 260.381 3.818 30 20 CHED C=CCCC1(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)CC1 475325048 JJOHDYQNFDNHRZ-PJPHBNEVSA-N 273.420 3.770 30 20 CHED CC[C@@H](c1ccc(Br)cc1)N(C)C[C@@H](C)C#N 472779570 TXIFBXMRFDKRHW-FZMZJTMJSA-N 295.224 3.992 30 20 CHED C=CCCCC(=O)NC[C@@H](Cc1ccccc1)C(C)C 470726969 LZLQFSGGMKOXQD-QGZVFWFLSA-N 273.420 3.974 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCc2nc(Cl)ccc21 806176824 QAYXKJJQXMWMOX-GFCCVEGCSA-N 277.799 3.642 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](c1nncn1C)C(C)C 809692371 VEWDGCXWBIKQRL-HUUCEWRRSA-N 278.444 3.627 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C)CC)c1ccc(Cl)cc1F 804421126 JDNCEYISTRXNFY-HZMBPMFUSA-N 281.758 3.706 30 20 CHED N#CC[C@@H](O)CSCc1c(Cl)cccc1Cl 295856440 BQVSUGNOGPWRNY-MRVPVSSYSA-N 276.188 3.501 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1ccc(C(F)(F)F)nc1 296294008 QQWDBHQCRUHJJE-SECBINFHSA-N 287.281 3.917 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccccc1)C1CC1 647070375 WBWNRWGUIZVTEA-WMZOPIPTSA-N 271.404 3.899 30 20 CHED CC(C)[C@@H](C(=O)OCCCSCC#N)c1ccccc1 805480899 DAMNUUHDEWCTOH-OAHLLOKOSA-N 291.416 3.616 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2ccc(C#N)nc2)CC1 561358903 KJJJOJNHVTWAHX-LJQANCHMSA-N 291.398 3.901 30 20 CHED CC(=NN[C@@H]1CCSC1)c1cc2cc(C)c(C)cc2o1 807999899 XFVSGMHCJCGVAK-CQSZACIVSA-N 288.416 3.869 30 20 CHED N#CCCCN[C@@H](Cc1ccccc1Cl)C1CC1 294444402 VINPBCGORXIHRO-HNNXBMFYSA-N 262.784 3.554 30 20 CHED CN(Cc1ccc(Cl)c2cccnc12)CC(C)(C)C#N 560568861 MLZRGTUKSSCBMU-UHFFFAOYSA-N 287.794 3.870 30 20 CHED C#CCCCNc1cc(F)c(F)cc1N1CCCCC1 811782149 KMCJQPLDZNKVFK-UHFFFAOYSA-N 278.346 3.780 30 20 CHED C[C@H]1CC=C(C(=O)N[C@@](C)(C#N)C2CCCCC2)CC1 565875203 FQQLMIYXCCPMGX-GUYCJALGSA-N 274.408 3.712 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)c1ccc(CC)cc1 488849835 FGYLCNYLBBRMOT-YOEHRIQHSA-N 271.404 3.920 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC=C(c2ccccn2)C1 562479126 UEYMSNZWOJESCJ-OAHLLOKOSA-N 289.382 3.804 30 20 CHED C[C@H]1C(=NNC2CCCC2)CCCN1Cc1ccccc1 814832479 GDNQMJHFTKIKDC-HNNXBMFYSA-N 285.435 3.559 30 20 CHED CCSc1ccc(C(C)=NNC[C@H]2CCSC2)cc1 811657120 FWXAOGZADIGIJU-CYBMUJFWSA-N 294.489 3.865 30 20 CHED Cc1nc(C#N)c(NN=C2CC[C@H](Cc3ccccc3)C2)o1 814813875 LOZDQOQHVMYYDH-CQSZACIVSA-N 294.358 3.665 30 20 CHED N#Cc1ncccc1N1CCC(c2ccc(Cl)cc2)CC1 564560750 GRSQMMVYOGQGAP-UHFFFAOYSA-N 297.789 3.991 30 20 CHED CCc1nocc1C=NNc1ccc(Cl)cc1Cl 814752019 XEEGLEGTFRWLPW-UHFFFAOYSA-N 284.146 3.990 30 20 CHED C[C@@H]1CC(=NNc2ccc3ccccc3n2)CC[C@H]1C(=O)O 814697607 VNBPAKLNCGLQFT-BXUZGUMPSA-N 297.358 3.524 30 20 CHED COc1cc(/C=C\c2ncccc2C#N)ccc1SC 486076315 KPNVPQJBJATTDT-ALCCZGGFSA-N 282.368 3.854 30 20 CHED C=C(C)CNC(=O)N[C@H](CC(C)C)c1ccccc1OC 488585876 URGOWIQIRKFQCC-OAHLLOKOSA-N 290.407 3.658 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)C[C@@H](C)C#N 488483574 JAEZELFZFCJHRC-NWANDNLSSA-N 284.403 3.594 30 20 CHED C=CC[C@@H](CC)NC[C@@H](O)c1ccccc1C(F)(F)F 819283354 JKYHTSCYGIAPFE-BXUZGUMPSA-N 287.325 3.683 30 20 CHED C[C@@H](NN=C1CCC[C@@H](C2CC2)C1)c1ccncc1 819814997 KRCPXRKNYLEJCT-IUODEOHRSA-N 257.381 3.688 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O 729150453 KKBXNASVRDHOKE-LCYFTJDESA-N 279.295 3.726 30 20 CHED C=CCC[C@H](C(=O)N(CC)CCOCC)c1ccccc1 488356642 NAVXSDXRPAXFHL-KRWDZBQOSA-N 289.419 3.621 30 20 CHED N#Cc1ccc(SC[C@H]2CCC[C@H](O)C2)c(Cl)c1 488254765 RJIVGICEVGCAAJ-RYUDHWBXSA-N 281.808 3.855 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(Cl)s1 811671668 JNUBUBHVAWTOCV-AGWNIESDSA-N 250.150 3.895 30 20 CHED Cc1[nH]c(=N[C@@H](C)c2ccc(F)cc2Cl)ccc1C#N 488047815 IUGCGMUEDFSICD-JTQLQIEISA-N 289.741 3.649 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CO[C@H]1CCCC[C@H]1CC 488815245 AOZNPCBIMWKKMP-OAGGEKHMSA-N 279.424 3.539 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)[C@H]1CC[C@H](C)C1 571961908 RRUXYQHVHGFIBI-ZFWWWQNUSA-N 288.439 3.747 30 20 CHED C=CCC(F)(F)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 815770356 MAAJAILKNRWIPJ-ZJUUUORDSA-N 299.283 3.683 30 20 CHED C=CCCCCN1CC[C@@H](n2ncc3ccccc32)C1 570278647 NRUVWUSZJIWMBB-MRXNPFEDSA-N 269.392 3.639 30 20 CHED CC#CCCNCc1ccc(-c2ccc(F)cc2C)o1 499211782 INHPRMVELZZSCJ-UHFFFAOYSA-N 271.335 3.897 30 20 CHED CC#CCN(C)C(=O)c1ccc(C(C)C)c(Cl)c1 579050946 PAQCUWUHPHZMCT-UHFFFAOYSA-N 263.768 3.559 30 20 CHED CC(C)C#CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 820121220 FZLUDDVBMHJPGE-UHFFFAOYSA-N 299.370 3.716 30 20 CHED N#Cc1ccc2c(c1)N(CCCCC1CCOCC1)CC2 499573397 FJQJYBBNJJWRDB-UHFFFAOYSA-N 284.403 3.518 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1ccc(O)c(Cl)c1 588480267 KQTAIIJTVRQVHL-HYXAFXHYSA-N 294.137 3.990 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc3c(c2)[C@H](O)CCCC3)C1 827024275 BTKHSTZQDMHNKX-QIIPPGSGSA-N 284.403 3.941 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cnc2ccsc2c1 903030793 GUZQHAGZXCERQG-LLVKDONJSA-N 271.389 3.641 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 824721778 JKSGEUIHHHNKMT-WFASDCNBSA-N 288.391 3.715 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(F)c1SC 667418961 KCBSRSXQHFAQJY-UHFFFAOYSA-N 268.357 3.635 30 20 CHED Cn1ncc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)n1 821028100 ODAKWVRQNPXBMC-VAWYXSNFSA-N 295.386 3.759 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)c1cccc(C(F)(F)F)c1 585702375 MDMRDSSHXXMTAR-JTQLQIEISA-N 291.276 3.567 30 20 CHED C=CCON=Cc1ccc(NC(=O)OC(C)(C)C)cc1 835014828 NFYIGQSMXHNSMC-UHFFFAOYSA-N 276.336 3.570 30 20 CHED C=CCN(C)C(=O)COc1ccc(Cl)c2ccccc12 491121300 GOLNWNJCDNYVIF-UHFFFAOYSA-N 289.762 3.516 30 20 CHED C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1cccc(C#N)c1 585726108 UNJCRILAGXJUQR-BFUOFWGJSA-N 292.382 3.992 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(C(C)C)nc1C 835477283 VYISHCGQXHGUGT-UHFFFAOYSA-N 261.365 3.769 30 20 CHED C#CC[C@@H](OC(=O)[C@H]1CC12CCSCC2)C(C)(C)C 835302188 JCJHHKOEECWTAO-CHWSQXEVSA-N 280.433 3.501 30 20 CHED CC(=NNc1cnnc2ccccc12)c1sc(C)nc1C 733748198 LCMVDDAZXYULHK-UHFFFAOYSA-N 297.387 3.539 30 20 CHED C=C(C)C[C@H](N[C@H]1CCC[C@H](CC(C)C)C1)C(=O)O 901682505 UXZPMRFNDBSFTL-ILXRZTDVSA-N 267.413 3.600 30 20 CHED CC(=NOC1CCCC1)c1nc(Br)cs1 834969891 YYDRCZKLKYKDLX-UHFFFAOYSA-N 289.198 3.589 30 20 CHED CCCCCCCCNC(=O)NCC[C@H]1C[C@H]2CC[C@H]1O2 838528095 ZWDIOJJCLODXGI-ARFHVFGLSA-N 296.455 3.604 30 20 CHED N#CCCCCCC(=O)N[C@@H](c1cccs1)C1CC1 588746551 KRPXZOBKOJBJKX-OAHLLOKOSA-N 276.405 3.789 30 20 CHED CC[C@H](C)c1ccc(C(=O)NCC(C)(C)CC#N)cc1 837887900 ABEMBNJNUCRTFC-ZDUSSCGKSA-N 272.392 3.870 30 20 CHED C#CCC[C@H](C)OC(=O)C(C)(C)COCc1ccccc1 839039243 OWTWMTFMDHPIBU-HNNXBMFYSA-N 288.387 3.575 30 20 CHED C=CCCCOC(=O)CCOc1ccc(F)cc1Cl 735530018 CRXDQVTZOAZEQP-UHFFFAOYSA-N 286.730 3.757 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2c(C)nn(C)c2Cl)c1 730436744 LTZBWIKXOFVGBA-WAYWQWQTSA-N 288.778 3.895 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCc1cc(F)ccc1F 919045832 CSYJHBZXYGAFOA-YVMONPNESA-N 299.276 3.593 30 20 CHED CC(C)C#CC(=O)NC1(c2ccc(F)cc2F)CCCC1 831366983 DXEUIMUROYSYBT-UHFFFAOYSA-N 291.341 3.510 30 20 CHED C[C@H](Sc1ccc(C#N)cc1F)c1ccc(C(=O)O)o1 736712876 QIISOLYHDLOYCE-QMMMGPOBSA-N 291.303 3.842 30 20 CHED C[C@@]1(C=NN[C@@H]2CCc3c(F)cccc32)CCCS1 835019755 AQXVDHJFYSYOLO-CABCVRRESA-N 278.396 3.674 30 20 CHED C=CC(C)(C)C(=O)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 839226370 BCCGYKOSTSNNEV-VIFPVBQESA-N 276.307 3.633 30 20 CHED CC1(C)C[C@]1(CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1 596115656 DBBGRBGLVIQEOB-HFTRVMKXSA-N 268.404 3.636 30 20 CHED C=CCCC(=NNc1cccc(C(=O)OC)c1F)C1CC1 835019436 WZYQQTOPOJPYPD-UHFFFAOYSA-N 290.338 3.756 30 20 CHED C[C@H](CCC#N)N1CCC(Cc2nc3ccccc3[nH]2)CC1 595551222 GTTPHVOCAUXCNK-CQSZACIVSA-N 296.418 3.510 30 20 CHED Cc1nc(SCc2ccccc2C#N)sc1C 741856466 VCASIHUSIBTNSP-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C#CCOc1ccc(C(=O)N[C@H](C)CCC(C)(C)C)cc1 741568373 HWVQZYMHYCFOKA-CQSZACIVSA-N 287.403 3.643 30 20 CHED COc1c(C)cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1C 839051303 DHYZXFHAHJMYGN-ZFWWWQNUSA-N 287.359 3.551 30 20 CHED C(=NNc1cccc2c1CCCC2)c1cn2ccccc2n1 918712246 JFACTUPTUVMIOM-UHFFFAOYSA-N 290.370 3.659 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 746998483 BFZSJMJGGXHDNF-RMKNXTFCSA-N 297.310 3.808 30 20 CHED CC[C@H](CSc1cccnc1C#N)CC(F)F 594902240 CEEILWPMZIRGKB-VIFPVBQESA-N 256.321 3.727 30 20 CHED CC(=NNc1nncc2ccccc12)c1cccs1 915909903 TUHRXUKFOYXQEK-UHFFFAOYSA-N 268.345 3.527 30 20 CHED CCCC(=NNc1nc(O)c2ccccc2n1)[C@@H]1CC1(C)C 841629883 XXKWDOYYUPCRNA-LBPRGKRZSA-N 298.390 3.950 30 20 CHED CC(=NNC1CCCC1)c1ccc(F)cc1OC(F)F 748076759 ZTMSVGKIXFYKCH-UHFFFAOYSA-N 286.297 3.683 30 20 CHED C=CCN(C(=S)Nc1ccc(C)c(C)c1)[C@@H](C)COC 849276455 DYYBUFZWPHNOPD-AWEZNQCLSA-N 292.448 3.523 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1c[nH]c2ccccc12 918155227 JRCPVUHNUJHVPQ-XFFZJAGNSA-N 293.297 3.966 30 20 CHED CCCn1cccc1C=NNc1oc(C(C)(C)C)nc1C#N 746497771 COSGDFUYTVVKGN-UHFFFAOYSA-N 299.378 3.501 30 20 CHED N#CC1(CCOC(=O)C2CCSCC2)CCCCC1 840228928 JDBBXUQXNDZJES-UHFFFAOYSA-N 281.421 3.537 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 674934313 XBNAMEQRHPORJC-RDJZCZTQSA-N 286.419 3.534 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCC1=CCCC1 592460169 XOYTZXXDWGEPMZ-CYBMUJFWSA-N 267.438 3.643 30 20 CHED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)C(F)F)c2C#N 844546448 YLYDEOILPPQXDO-RQJHMYQMSA-N 284.331 3.509 30 20 CHED C=CCN(C(=O)c1nc(-c2ccccc2)oc1C)C(C)C 914682873 NEZBQAVVWYJTQE-UHFFFAOYSA-N 284.359 3.687 30 20 CHED CCCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842937620 HFHYXEUOFLBMGO-NSHDSACASA-N 262.378 3.777 30 20 CHED C=C(C)CCOC(=O)CCc1ccc(OCCC)cc1 744299959 MIBJIERZBWGKJT-UHFFFAOYSA-N 276.376 3.917 30 20 CHED CCC(=NNc1cncc(Cl)n1)c1cc(F)ccc1F 743435480 JAFKOHKSVHEQKD-UHFFFAOYSA-N 296.708 3.634 30 20 CHED CC(C)(C#N)CCCN1CCC(NCc2ccccc2)CC1 595510097 KDWOEOGTBZNGAH-UHFFFAOYSA-N 299.462 3.571 30 20 CHED CCOc1cc2c(cc1NCC1(CC#N)CC1)O[C@@H](C)C2 594699662 AFBDBHDRIQPXMY-LBPRGKRZSA-N 286.375 3.514 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2F)C12CCCC2 743434194 MSHOSIISHDRYGO-OAHLLOKOSA-N 276.355 3.963 30 20 CHED C=C(Cl)COC(=O)CCc1ccc(Cl)s1 917294278 FYIDVUWZJJRLMZ-UHFFFAOYSA-N 265.161 3.630 30 20 CHED N#CCCC1CCN(c2ncc(Cl)cc2Cl)CC1 591957619 QZISJMQSBXJAPU-UHFFFAOYSA-N 284.190 3.909 30 20 CHED C#CC[C@@H](OC(=O)[C@@H]1CCSc2ccccc21)C1CC1 842316626 MMYDPTNOOWXEAJ-HUUCEWRRSA-N 286.396 3.611 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(CCCCC#N)n1 594531752 WECUZMJMQZZMCC-QWHCGFSZSA-N 261.369 3.990 30 20 CHED CC[C@H](CC#N)NCc1ccc(N2CCCCC2)c(C)c1 846980855 JMCUOLJKIRLELI-QGZVFWFLSA-N 285.435 3.767 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccc(C2CC2)cc1 590824865 MKNUGJRHHLDDTJ-UHFFFAOYSA-N 271.364 3.577 30 20 CHED C[C@H](CC#N)C(=O)NCC1(Cc2ccccc2)CCCCC1 597524483 YVLAELTZPJBFPU-MRXNPFEDSA-N 298.430 3.846 30 20 CHED CSc1ccc(CNCCc2ccc(C#N)cc2)s1 594954987 JGURVONEGUPCTR-UHFFFAOYSA-N 288.441 3.674 30 20 CHED C=C(C)CN(CC)C(=O)C(F)(F)c1cccc(Cl)c1 921004801 JHVODHDQUCNBII-UHFFFAOYSA-N 287.737 3.856 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2C)o1 751512560 IZAUHQKUSYZZFK-TWGQIWQCSA-N 298.338 3.969 30 20 CHED C=C[C@H](OC(=O)[C@@H]1CCC[C@H](OC)C1)c1ccccc1 851452092 OKLAVVMRKLQPON-PMPSAXMXSA-N 274.360 3.662 30 20 CHED C[C@@H](Cc1ccncc1)Nc1nc2ccccc2cc1C#N 750030728 XLFCCEGWOLGBOK-ZDUSSCGKSA-N 288.354 3.545 30 20 CHED C/C(=C\C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cccs1 857033634 ZGZRKEWPMRFQLF-NALFIARHSA-N 275.373 3.777 30 20 CHED CCOc1cccc(C=Nc2cccc(F)c2F)c1O 921261578 RIYSOAUBFMFWNH-UHFFFAOYSA-N 277.270 3.820 30 20 CHED C[C@H](CC(=O)OCc1cc(C#N)ccc1F)c1ccco1 859817177 DVCLGNVETMFRBK-LLVKDONJSA-N 287.290 3.527 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1ncccc1[N+](=O)[O-] 853319442 SZNYJWWJATUSLG-LLVKDONJSA-N 274.324 3.524 30 20 CHED N#C[C@@H](C(=O)CCCF)c1nc2cc(Cl)ccc2s1 850771712 WUNFCJZEDXFLJW-VIFPVBQESA-N 296.754 3.876 30 20 CHED C=C(Cl)CSCc1ncsc1Br 853783611 NLWSKSBDTPEDDD-UHFFFAOYSA-N 284.631 3.891 30 20 CHED CC(C)CSCCCOC(=O)c1ccc(C#N)s1 751740020 PWTDUPNLGQOJIM-UHFFFAOYSA-N 283.418 3.556 30 20 CHED CCC(Cc1ccc(Cl)cc1)=NOC[C@@H]1CCOC1 853337172 CSQYCGPQFKPIJO-CYBMUJFWSA-N 281.783 3.702 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1c(F)cccc1F)OCC 756478489 VKEGXQFAHQFLIK-RISCZKNCSA-N 298.329 3.940 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2cccc3c2OCC3)cc1 858232434 XUQQVDNZGZNIBO-CYBMUJFWSA-N 294.354 3.524 30 20 CHED C#CCCCCNC(=O)Nc1cc(C)cc(C(F)(F)F)c1 753244273 ZYSJQDQCCYCLIU-UHFFFAOYSA-N 298.308 3.939 30 20 CHED C#CCCc1noc([C@@H]2CCC[C@@H]2Cc2ccccc2)n1 854030265 RRXQNPVWESXZJL-HZPDHXFCSA-N 280.371 3.762 30 20 CHED C[C@@H](NCCCC#N)c1ccc(Cl)c(Cl)c1O 757653386 HEGNNZAYNKYIOM-MRVPVSSYSA-N 273.163 3.653 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C(F)(F)CC 854255138 KZCMZRWPHZAOMV-UHFFFAOYSA-N 293.766 3.961 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](c2ccccc2)C1 931141471 DYFZJRHDENZNCO-GOEBONIOSA-N 257.377 3.605 30 20 CHED CC(C)CC=NNc1nc(C(F)(F)F)cs1 755905057 RWVSLIMJZSEGPY-UHFFFAOYSA-N 251.277 3.606 30 20 CHED C#CC[C@@H](NCC1=Cc2ccccc2OC1)c1ccccc1 756995951 NAMGDRHONCUYDL-LJQANCHMSA-N 289.378 3.817 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1 755816193 UAXGDEBRHHLLCD-ZDUSSCGKSA-N 287.281 3.973 30 20 CHED C=CCCCCN1CCc2nc[nH]c2[C@H]1c1ccccc1 931803848 YUTMLMCPSLLYIG-GOSISDBHSA-N 281.403 3.714 30 20 CHED C#C[C@H](C)N(C)C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 767244289 TWMWSSQIQHBVTH-ZKQHCESOSA-N 295.304 3.589 30 20 CHED C[C@@H](C=NNc1ccc([N+](=O)[O-])cc1Cl)CCC#N 766014842 VOALQLRJHQDULZ-SECBINFHSA-N 280.715 3.586 30 20 CHED S=C(NN=C1CC[C@H]1c1ccccc1)Nc1ccccc1 769762439 BRDJHJNGLNMMRO-HNNXBMFYSA-N 295.411 3.907 30 20 CHED C#CCCCOc1ccc(N(C)C(=O)OC(C)(C)C)cc1 766749014 DLEMSWYNCXVPLL-UHFFFAOYSA-N 289.375 3.850 30 20 CHED Cc1c(NN=CCCC2CCOCC2)cccc1[N+](=O)[O-] 764912113 SGKGHLGSJZZHMK-UHFFFAOYSA-N 291.351 3.508 30 20 CHED C=C[C@H](C)ONC(=O)c1cc(C(F)(F)F)ccc1Cl 862132513 HRPLPNRCTQLWLX-ZETCQYMHSA-N 293.672 3.595 30 20 CHED C#C[C@@H](C)N(C)C(=O)Cc1coc2ccc3ccccc3c12 767252618 HMOONHUWJUNWCM-CYBMUJFWSA-N 291.350 3.609 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H]1c1cccc(F)c1 933773767 QSJXBQFWPJYFRB-DOMZBBRYSA-N 261.340 3.701 30 20 CHED C#Cc1ccc(C(=O)Nc2ccccc2SC(C)C)cn1 760805466 XLYJYEXDOMALBT-UHFFFAOYSA-N 296.395 3.816 30 20 CHED C=CCCCCCN(C)Cc1ccc2c(c1)COC2 769444933 AGKFEBCTJGSHBP-UHFFFAOYSA-N 259.393 3.895 30 20 CHED CCOc1cccc(/C=N\[C@@H]2COc3ccc(C)cc32)c1O 763097070 OKUDHESHGDBGDS-SMLKNPDNSA-N 297.354 3.652 30 20 CHED C#CCCc1noc(-c2cccc(-c3csc(C)n3)c2)n1 762013172 BIMFZTIAOPJXSR-UHFFFAOYSA-N 295.367 3.734 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C#N)c(C)c1)C2 766490455 JPYNWCCJYDJNJO-MFOYZWKCSA-N 273.335 3.998 30 20 CHED CON=Cc1c(-c2ccccc2)[nH]c2ccccc12 767493084 WUBIOEATBUNGOC-UHFFFAOYSA-N 250.301 3.815 30 20 CHED CCCCCCC[C@H](C)CNC(=S)NCc1ccon1 764455057 MQRRWMRDYHHFSI-ZDUSSCGKSA-N 297.468 3.635 30 20 CHED C#CCCCCCC(=O)N(CC#N)c1ccc(F)cc1C 875980965 JCZVIJBEUDQPJX-UHFFFAOYSA-N 286.350 3.574 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cccc(Br)n1 777920783 PXRYPTJTLUJHPT-WAYWQWQTSA-N 292.132 3.642 30 20 CHED C#CC[C@@H](NC(=O)N[C@H](C)CCCC=C)c1ccccc1 775756120 XTHNLTDVYRCYDK-NVXWUHKLSA-N 284.403 3.795 30 20 CHED CCOCCON=Cc1cc(Cl)c2ccccc2c1O 774417331 MXWZOJXXLXVTCA-UHFFFAOYSA-N 293.750 3.586 30 20 CHED C[C@H](NC(=O)C1C[C@H]2CCC[C@H](C1)C2)c1cccc(C#N)c1 1119548273 WBWVTVDSNRTDIX-KKUMJFAQSA-N 296.414 3.952 30 20 CHED Cc1ccc(F)cc1/C=C1/Cc2ccccc2C1=O 777912938 QHKVQDVFZMTGHN-ZROIWOOFSA-N 252.288 3.957 30 20 CHED N#Cc1ccc(CN(c2ccccc2)C2CC2)s1 1118368292 IEHXNMCLAOKCMX-UHFFFAOYSA-N 254.358 3.789 30 20 CHED Cc1cc(C(=O)OCc2cccc(C#N)c2F)ccc1F 774947282 NRVPDXLICRIZNA-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc(C)c1O 776728866 OJRSKVBUMXOXPY-ZZXKWVIFSA-N 295.313 3.916 30 20 CHED COc1ccsc1/C=C1\Oc2cc(F)ccc2C1=O 773173744 UGFYLBNOMWYARG-GHXNOFRVSA-N 276.288 3.512 30 20 CHED N#C[C@@H](OC(=O)Cc1ccc(F)cc1F)C1CCCCC1 776392652 UQBIALBORUHWQT-OAHLLOKOSA-N 293.313 3.523 30 20 CHED C=CCc1cc(CN[C@@H](C)C(C)C)cc(OC)c1OC 772944819 BKSQYIISFIVSIS-ZDUSSCGKSA-N 277.408 3.566 30 20 CHED Brc1cc(C=NOC2CCCC2)cs1 774597288 USERZKHNBONEHR-UHFFFAOYSA-N 274.183 3.804 30 20 CHED CCC[C@H](OCC)C(=O)Nc1cc2ccccc2cc1C#N 875779813 HWSCFDVBCCLKSP-KRWDZBQOSA-N 296.370 3.855 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1nc2ccccc2s1 778669860 OPVJUIKZZWLURA-NSHDSACASA-N 289.404 3.575 30 20 CHED C[C@@H]1C[C@H](C/N=C\c2c(O)ccc3ccccc23)CCO1 770569170 RGBKVTNSLIDZFN-ITTZRFAVSA-N 283.371 3.779 30 20 CHED C=CCc1cc(CN[C@H](C)C(C)C)cc(OC)c1OC 772944790 BKSQYIISFIVSIS-CYBMUJFWSA-N 277.408 3.566 30 20 CHED Cc1c(C(=O)OC[C@@H](C)C#N)sc2ccc(F)cc12 770936011 HACGYMZSFYFSCU-QMMMGPOBSA-N 277.320 3.665 30 20 CHED C=C(Cl)COC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 772102721 IZNSCWAUXAIRDH-UHFFFAOYSA-N 290.750 3.603 30 20 CHED Cc1cccc(COC(=O)/C=C\c2ccccc2C#N)c1 775082213 GTRBHZNFLPRKIK-KTKRTIGZSA-N 277.323 3.623 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCCC1(C)C)c1ccncc1 772065980 SZDUDTOGHQCEPY-CABCVRRESA-N 272.392 3.641 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 772025846 ABWVESOZPAXKBA-CVEARBPZSA-N 298.471 3.850 30 20 CHED CCO[C@@H](C/N=C\c1c(O)cccc1OC)c1ccccc1 772155551 RGNYHMHVPCHRGB-IZILLXMLSA-N 299.370 3.598 30 20 CHED CCCCCCCCCNC(=O)NCc1ccncc1C 779519474 KXCCRJBGSJSACO-UHFFFAOYSA-N 291.439 3.940 30 20 CHED CC(C)Oc1cccc(NC(=O)c2cc(C#N)ccc2F)c1 1129085149 PFZGTEMRVAAWMT-UHFFFAOYSA-N 298.317 3.737 30 20 CHED C[C@@]1(C#N)CCCN(Cn2c(=S)oc3ccccc32)C1 784015923 YVXYRFFRNAASFG-HNNXBMFYSA-N 287.388 3.547 30 20 CHED N#CC1(COC(=O)/C=C\c2ccc(Cl)cc2)CCCC1 780530694 NUVYBXJZPQQJBM-YVMONPNESA-N 289.762 3.980 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)Cc2ccccc21 782302625 RJTOAPHCZKGZKB-WQLSENKSSA-N 267.353 3.843 30 20 CHED CC(Cc1ccsc1)=NNc1ccc2c(=O)[nH]ccc2c1 789086340 TZQGPZGRAJKFLW-UHFFFAOYSA-N 297.383 3.620 30 20 CHED CC(C)C[C@@H]1CCCC(=NNCCc2ccccn2)C1 789124703 KILANFBJTLJRJV-HNNXBMFYSA-N 273.424 3.806 30 20 CHED C#CCCCCCC(=O)OCc1ccn(C2CCCC2)n1 780258010 XLGFASKXMCJIBK-UHFFFAOYSA-N 288.391 3.625 30 20 CHED CC(C)(C)CCCOC(=O)c1ccccc1CC#N 781155829 JOXGZPHOYTUONV-UHFFFAOYSA-N 259.349 3.736 30 20 CHED C=C(CC)COC(=O)c1ccc(Cl)c(N)c1Cl 786635875 FFAUZSAVHMVAML-UHFFFAOYSA-N 274.147 3.699 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc(Cl)cc2F)c1 783508154 RSNBCPREHXPFBO-UHFFFAOYSA-N 293.685 3.833 30 20 CHED N#Cc1cc(NC(=O)CC2CCCCC2)c(F)cc1F 1132687470 XXTRREGLYFMINQ-UHFFFAOYSA-N 278.302 3.745 30 20 CHED C[C@H]1CC2(CCOCC2)CN1c1ccc(C#N)cc1Cl 894357936 BNKMFSRABYGUAS-LBPRGKRZSA-N 290.794 3.607 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1ccc(C)s1 899342722 DLQCTANSSHDJOW-VOTSOKGWSA-N 261.346 3.811 30 20 CHED FC(F)(F)c1ccccc1ON=CCC1CCOCC1 788721403 FMZXANUOHDFPGA-UHFFFAOYSA-N 287.281 3.887 30 20 CHED C#CCCCCCCNc1ccc(Cc2nc(C)no2)cc1 897117313 UBYNWGXEQMSHCS-UHFFFAOYSA-N 297.402 3.964 30 20 CHED Cc1cnn(C)c1C=NN(c1ccccc1)c1ccccc1 794855117 NXJXWAAGCDVWCC-UHFFFAOYSA-N 290.370 3.901 30 20 CHED CCCCCCCOC(=O)c1cc2nccnc2cc1F 795872155 XMVGDFZBWXXYGM-UHFFFAOYSA-N 290.338 3.896 30 20 CHED C=C(C)CCN1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799359832 AZBRAMVSPABOIH-HNNXBMFYSA-N 296.455 3.579 30 20 CHED C[C@H](C#N)Oc1ccc(CN(CC2CCC2)CC2CC2)cc1 793388653 HLVIWRIKRYAMRV-OAHLLOKOSA-N 298.430 3.990 30 20 CHED CC[C@@H](C)CON=C/C=C\c1ccccc1[N+](=O)[O-] 793159072 KTQCGKDSFMWPDG-CCKXUAGZSA-N 262.309 3.657 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C2CCC[C@@H]2CCF)o1 794899187 IJGKZZHYYPYHRU-SNVBAGLBSA-N 292.358 3.771 30 20 CHED COCCCON=C(C)C12CC3CC(CC(C3)C1)C2 795055208 GYBFBBRTUVXQGZ-UHFFFAOYSA-N 265.397 3.632 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(C#N)c1 799307365 MENYMXDIYGTCBK-UHFFFAOYSA-N 290.366 3.695 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)c2ccc(C)c(C#N)c2)c1 799341473 VQDTYNHQQYRUIN-HNNXBMFYSA-N 292.382 3.709 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 792914991 HHOYDDTVMWUUJW-QGZVFWFLSA-N 288.350 3.694 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/C[C@H]1CCSC1 790598506 NMXQNYPZWHSUBK-DZYDPXEMSA-N 290.215 3.871 30 20 CHED Cn1ccnc1NN=C(CC(C)(C)C)c1ccc(F)cc1 790303667 WXAYWYPHZGRXAS-UHFFFAOYSA-N 288.370 3.812 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc2ccccc2c1O 797587755 XTNLBDHTLVWSGO-ZDUSSCGKSA-N 280.371 3.890 30 20 CHED CCc1cc(Sc2ccc(C#N)cc2)nc(CC)n1 1306938580 GKHACFVKWSZUDF-UHFFFAOYSA-N 269.373 3.624 30 20 CHED CC[C@@]1(C)CCCN(c2ncc(C#N)cc2Cl)C1 78559095 ROFYIQSJAZVLOU-AWEZNQCLSA-N 263.772 3.623 30 20 CHED CC[C@@H](CC(F)F)CN1CCCc2cc(C#N)ccc21 1170661663 NOOSZTJKNMIMGW-LBPRGKRZSA-N 278.346 3.992 30 20 CHED C=C(Cl)CNCc1cc(C)c(C)cc1OC(F)F 1177905661 SCIXVEXLSVMGFC-UHFFFAOYSA-N 275.726 3.747 30 20 CHED N#CCCN(CCc1ccc(F)cc1F)Cc1ccco1 1325160133 ZAJMVXIUAXIVKS-UHFFFAOYSA-N 290.313 3.516 30 20 CHED CC(C)(C)Cc1nnc(C[C@@H](CC#N)c2ccccc2)o1 1326554927 WMSQRDHIUVNJAV-CQSZACIVSA-N 283.375 3.898 30 20 CHED CCN(Cc1cccnc1)[C@H](C)c1ccc(C#N)cc1 171146016 WIVWUMYPHYAFCW-CQSZACIVSA-N 265.360 3.536 30 20 CHED FC(F)(F)c1ccnc(NN=Cc2cccn2C2CC2)c1 1325319103 KUJSSKLGBOBGSR-UHFFFAOYSA-N 294.280 3.683 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCC#N)cc2)C[C@H]1C 1325099366 FNOPLRXLIKHOFB-MGPQQGTHSA-N 286.375 3.600 30 20 CHED N#Cc1ccc(CCN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 1182854608 JTOMVHUKKJFMDT-MTHXSQLBSA-N 280.415 3.515 30 20 CHED C[C@]1(CNc2ccc(C(F)(F)F)cc2C#N)CCCO1 94802844 UVUFNBJAUUKMSA-CYBMUJFWSA-N 284.281 3.558 30 20 CHED C[C@@H]1CCC[C@@H](NC2CC(C#N)(c3ccccc3)C2)C1 86036689 IKVKHJLHRFRLQH-DVHLICQRSA-N 268.404 3.779 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(C)ccc1C)CO2 1337209195 QHGIBAZGSIVRJU-OQLLNIDSSA-N 294.350 3.971 30 20 CHED N#CCSCCCN1CC[C@@H](C2CCCCC2)C1 595734521 NISVOMFGVPTFAN-OAHLLOKOSA-N 266.454 3.535 30 20 CHED CN(C(=O)OCC1CCCCC1)c1cccc(C#N)c1 1331553857 OIHNFFCEGXXPCA-UHFFFAOYSA-N 272.348 3.711 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H](Cc2ccccc2)C1 1333396380 RFINWEDIZOBIMD-NVXWUHKLSA-N 271.404 3.680 30 20 CHED CCCCCCCCCC(=O)N(C)Cc1nnc(C)s1 1330983691 PLLXADCESMXSGY-UHFFFAOYSA-N 297.468 3.946 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@@H](CC(C)C)C1 1339828231 AFGYYHOYIZTBPQ-LBPRGKRZSA-N 298.381 3.664 30 20 CHED C=C(C)CCC(=O)Nc1ccc(SC)cc1OC 1262789167 ZFQMUGRYMNJWON-UHFFFAOYSA-N 265.378 3.712 30 20 CHED C[C@@H](Cc1ccccc1Cl)NCC1(CC#N)CC1 1344464145 VRFQJEVYIPVHGE-LBPRGKRZSA-N 262.784 3.554 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 1346128833 OZQPHNWSACTWJH-UHFFFAOYSA-N 294.782 3.839 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)[C@@H](C#N)c1nccn1C 1515836418 KTKHKYFWOOCSCS-HUUCEWRRSA-N 287.407 3.593 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CC[C@H](C)C[C@@H]1C 1360578206 ZSVWOJMDAMQEIL-MQIPJXDCSA-N 271.360 3.848 30 20 CHED CCCC[C@H](CC)C(=O)O[C@H](CC#N)c1ccco1 1526991558 CUYDJVIMZIJRBW-GXTWGEPZSA-N 263.337 3.994 30 20 CHED CC(=O)c1ccc(CCNc2cccc(F)c2C#N)cc1 1458264247 SJIYDRAQPWEVQB-UHFFFAOYSA-N 282.318 3.555 30 20 CHED CCCC[C@@H](S[C@H](C#N)c1ccccc1)C(=O)O 1605250610 MARRUIWSCZVGNS-CHWSQXEVSA-N 263.362 3.628 30 20 CHED Cc1cccc(Nc2nnc(SCC#N)s2)c1C 3564812 YYKQEZBNWPUXCW-UHFFFAOYSA-N 276.390 3.514 30 20 CHED CC[C@@H]1COC(C)(C)CN1Cc1ccc(Cl)cc1C#N 1473618489 SLEZXKXLBDQEHN-OAHLLOKOSA-N 292.810 3.601 30 20 CHED O=C(O)c1ccccc1-c1ccc(C=NOC2CCC2)o1 1610851931 XTIKAYKZHVQYTK-UHFFFAOYSA-N 285.299 3.548 30 20 CHED C[C@@H](NC(=O)NC[C@H]1CCCC1(C)C)c1cccc(C#N)c1 1470277012 MJEGRDCQKAGJOD-CZUORRHYSA-N 299.418 3.745 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1cccc(F)c1C#N 1612114109 COEKCDVJORKVMN-UHFFFAOYSA-N 293.345 3.986 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Nc2cc(C#N)ccc2F)c1 1476715355 SRFCANLHMDOJSO-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CCC[C@H](C)[C@H]1CCCN1Cc1ccc(C#N)c(OC)c1 1621164205 UAJMRSLPZSJALS-WMLDXEAASA-N 286.419 3.967 30 20 CHED COc1ccc(C#N)cc1NC1C[C@@H](C)C[C@H](C)C1 1621239019 KYNWAHSVCOGNEE-RYUDHWBXSA-N 258.365 3.803 30 20 CHED Cc1nc(C#N)cc(Nc2cccc(OC3CCCC3)c2)n1 1642044502 BGTOZWCAGJZINK-UHFFFAOYSA-N 294.358 3.722 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3c(C)cccn3c2)c1 1570305344 NZDIHQPPNFDATC-UHFFFAOYSA-N 289.338 3.680 30 20 CHED CC[C@H](C)[C@H]1CCCCN1Cc1cc(C#N)ccc1OC 1641833727 QXMFHFAOMIMOLR-WMLDXEAASA-N 286.419 3.967 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCCN1C1CCCCC1 1659026303 TZDDUHYENBVWKA-RDJZCZTQSA-N 291.483 3.701 30 20 CHED N#Cc1ncccc1SCc1ccc(Cl)s1 1652837940 FGVPCCOCBBEFKO-UHFFFAOYSA-N 266.778 3.960 30 20 CHED CCc1cccc(CNCc2cc(C#N)ccc2F)c1 1658000430 YQHCVXUMJIMKJZ-UHFFFAOYSA-N 268.335 3.550 30 20 CHED C=C[C@H](Nc1ccc(SC(C)(C)C)cc1C)C(=O)O 1588701967 FDXRMSUUXHZYJT-LBPRGKRZSA-N 279.405 3.937 30 20 CHED C#Cc1ccc(NCc2ccc(C(=O)O)s2)c(Cl)c1 1588438924 JYFFUCOUDGGDRM-UHFFFAOYSA-N 291.759 3.693 30 20 CHED CCc1cccc2cc(CN(C)CC(C)(C)C#N)oc12 1658178294 QEDCBNGGKITXNC-UHFFFAOYSA-N 270.376 3.977 30 20 CHED C=C(CNC(=O)C12CCC(CC1)CC2)c1ccccc1 1583132520 GAIMWNKOIJUAEH-UHFFFAOYSA-N 269.388 3.786 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](CC(C)(C)C)C(=O)O 1588798382 CSSWCGVFZNQMCR-KGLIPLIRSA-N 269.429 3.990 30 20 CHED N#CCOc1ccc(NCc2ccc(F)cc2Cl)cc1 219374501 LVAYHDHZABIIOZ-UHFFFAOYSA-N 290.725 3.994 30 20 CHED CC(C)(CNCCC#N)c1ccc2ccccc2c1 258908739 LTEDAPXOYZDKBJ-UHFFFAOYSA-N 252.361 3.621 30 20 CHED CCCCCCC[C@H](C)CNc1ccc(C(=O)O)nn1 1595704959 LZCDQQXJOZFTLG-LBPRGKRZSA-N 279.384 3.583 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1cc(F)cc(C#N)c1 1674218186 BXPNYZDZFPNALD-BZNIZROVSA-N 289.354 3.788 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccccc1 1679071014 RFLGNRKVRXLOOG-OKZBNKHCSA-N 298.430 3.968 30 20 CHED C=C(Cl)C[C@H](NCC1CCCCCCC1)C(=O)O 1776142541 GKVKYFTUTOPUFD-ZDUSSCGKSA-N 273.804 3.532 30 20 CHED C=CCCC[C@H](NC/C=C\c1ccc(Cl)cc1)C(=O)O 1776171215 KWDBWHWORDXADW-YVACAVLKSA-N 293.794 3.752 30 20 CHED Cc1cc2cccc(C=NNc3ccccc3C(=O)O)c2o1 1776032039 KAYHIDRLHVJMQV-UHFFFAOYSA-N 294.310 3.885 30 20 CHED COc1ccc(C(C)=NNc2cccc(C(=O)O)c2C)cc1 1776086167 FWMLDPYKBYKYGV-UHFFFAOYSA-N 298.342 3.538 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc(C2CC2)cc1 1776030784 PPHPSUQJDSKWTE-UHFFFAOYSA-N 280.327 3.708 30 20 CHED C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccccc1C#N 150895081 FGIFKDZGZAMPDB-HNNXBMFYSA-N 299.418 3.563 30 20 CHED C=CCN(C)C(=O)c1ccc(C)nc1Sc1ccccc1 161715156 PTZVLYFCPZZGOR-UHFFFAOYSA-N 298.411 3.799 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1nccn1CCc1ccccc1 164267080 HVXWPRLVNZBYNC-DLBZAZTESA-N 297.446 3.816 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@@H]1SCC 151489181 DUAWLAIXVKJDTP-GJZGRUSLSA-N 281.465 3.935 30 20 CHED CCC(CC)CC(=O)N(CC)c1ccc(C#N)cc1 152064034 DPETYKPTZBDCOK-UHFFFAOYSA-N 258.365 3.737 30 20 CHED Cc1ccccc1NCc1ccc(O[C@@H](C)C#N)cc1 155322123 FCKTUQBSICVQGT-AWEZNQCLSA-N 266.344 3.898 30 20 CHED CCN(Cc1ccc(C)cn1)[C@@H](C)c1ccc(C#N)cc1 156309706 XODXZWPGSZJILI-HNNXBMFYSA-N 279.387 3.845 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H]1CCc2c(Cl)cccc21 155901518 NHPSCEUJTOMCKY-HZMBPMFUSA-N 295.835 3.751 30 20 CHED Oc1ccc2ccccc2c1/C=N/Cc1ccco1 5273463 YMYJMKRWCRBSQR-GZTJUZNOSA-N 251.285 3.758 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)OC2CCCCCC2)CC1 154560856 CHJDCBICPRWNIZ-CQSZACIVSA-N 279.424 3.539 30 20 CHED C=CCCCCCN(C)C(=O)c1sc(C)nc1C 156753006 JIQNIDZPLYHCAS-UHFFFAOYSA-N 266.410 3.578 30 20 CHED Cc1coc(-c2cccc(NC(=O)C3(C#N)CCCC3)c2)n1 154591540 VBBRSDHMKBCHES-UHFFFAOYSA-N 295.342 3.673 30 20 CHED N#CC1(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)CCCCC1 1255884257 YFNGIFCPEUYMPF-KBPBESRZSA-N 274.408 3.545 30 20 CHED C[C@H](Cc1ccsc1)Nc1c(F)cc(C#N)cc1F 111143674 LSWMQYMGQKEHAO-SECBINFHSA-N 278.327 3.941 30 20 CHED CCC[C@@H]1CCCCN1Cc1cc(C#N)ccc1F 213540278 ORFLTGGERJQHLT-OAHLLOKOSA-N 260.356 3.852 30 20 CHED Cc1c(Oc2cccc(F)c2C#N)cccc1[N+](=O)[O-] 112012208 GOUGFLDHRAVFBR-UHFFFAOYSA-N 272.235 3.706 30 20 CHED C=CCCOCCNc1ccnc2cc(Cl)ccc12 229870649 HTNYSOVFSPTUQT-UHFFFAOYSA-N 276.767 3.893 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)cc2)c(C)o1 37748361 SQHONFOHRJUGBA-LBPRGKRZSA-N 254.333 3.619 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)CCc2ccco2)n1 44289529 UKKXKGQRAQLIMA-LBPRGKRZSA-N 269.348 3.596 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccsc1 50343039 RGKIIRUGWRWRBH-VIFPVBQESA-N 273.317 3.701 30 20 CHED Cc1cc(CNc2cccc(OCC#N)c2)ccc1F 50545348 CRFLJHDEWWGFKJ-UHFFFAOYSA-N 270.307 3.649 30 20 CHED COc1ccc(CNc2ccc(F)c(C#N)c2)cc1C 51636023 SWBTVIWIODPPRV-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1F 55386691 OIRYOENQDIIZPV-LRDDRELGSA-N 260.356 3.708 30 20 CHED N#Cc1ccc(NC2CC=CC2)c(C(F)(F)F)c1 301635844 KVKSCRCLNANDJT-UHFFFAOYSA-N 252.239 3.708 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2F)[C@H](C)C1 70113421 PFJWZRFPDYWYEU-XHBSWPGZSA-N 260.356 3.612 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1ccccc1C#N 308090311 PXDWTHJPIDIVLC-ZDUSSCGKSA-N 258.365 3.959 30 20 CHED C=CCC(C)(C)CNCc1cccc(Cl)c1O 310156133 KJMNGMXLQVTNAC-UHFFFAOYSA-N 253.773 3.738 30 20 CHED N#Cc1ccsc1NC(=O)Cc1cccc(Cl)c1F 335732909 NFNBTXVORBOCIU-UHFFFAOYSA-N 294.738 3.593 30 20 CHED CCC1(CC)CCN(Cc2cc(C#N)ccc2F)C1 94802964 MKESUQREKTXQCP-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1ccc(C#N)cn1 562039758 PENVCYIWGWCTTR-KBRIMQKVSA-N 271.408 3.504 30 20 CHED CO[C@@H](COc1cc(Cl)cc(C#N)c1)c1ccccc1 379109534 JGAYIUDEVDWVJP-INIZCTEOSA-N 287.746 3.978 30 20 CHED C=CCNC(=S)Nc1ccc(OCc2ccccc2)cc1 6295825 CKLFURIPXVPVTO-UHFFFAOYSA-N 298.411 3.738 30 20 CHED C[C@H]1CCC[C@@H](Nc2ncc(Br)cc2C#N)C1 310067921 CEWIMWSBCVIIHU-JOYOIKCWSA-N 294.196 3.706 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2[nH]ccc2c1 105028082 VSNSAVCGTIVWAK-UHFFFAOYSA-N 257.337 3.598 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)o1 175513454 ZJTOOVUQZOHRMN-UHFFFAOYSA-N 282.343 3.950 30 20 CHED C=CCN(CC=C)C(=O)CCCCOc1cccc(C)c1 57385611 YXZDGYNGFVJRBD-UHFFFAOYSA-N 287.403 3.745 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c(C)c1 106419459 UYUWCJBXFSFZFI-INIZCTEOSA-N 298.773 3.952 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(OC(F)F)cc1 177872722 OFNVMVIINJGGTJ-UHFFFAOYSA-N 287.331 3.536 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 102955456 KCTFKEBIGQMZJX-UHFFFAOYSA-N 297.333 3.751 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CC1CCC1 173915917 IMXKZVXMEHMBGG-AWEZNQCLSA-N 294.354 3.558 30 20 CHED C[C@H](C(=O)N1CCC(C#N)CC1)c1ccc2ccccc2c1 177627922 ADIUYRKBPNAHMB-AWEZNQCLSA-N 292.382 3.705 30 20 CHED CC(C)Oc1ccc([C@@H](C)NC[C@H](C#N)CCC#N)cc1 171977916 WVRUYGWXZGFFTC-CABCVRRESA-N 285.391 3.568 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](CC)CSC 179954428 JSIKGBXBVKEFIU-OAHLLOKOSA-N 292.448 3.526 30 20 CHED CC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)cc1 177658170 CQZSRJBCHXSWBI-QGZVFWFLSA-N 290.366 3.930 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2C)c1 176003112 MOHJBQKPNCKXHF-CYBMUJFWSA-N 274.364 3.658 30 20 CHED COc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1O 170985775 CZXNTQIEWOMXIX-ZSOIEALJSA-N 280.323 3.532 30 20 CHED CC[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H](C)O1 301618677 LIMWCSANTXMGOX-GWCFXTLKSA-N 298.308 3.581 30 20 CHED N#Cc1nc(NCCc2ccc(F)c(F)c2)ccc1Cl 302763672 KZBMVWTXDBTMPW-UHFFFAOYSA-N 293.704 3.539 30 20 CHED N#Cc1cc(NCc2ccnc3ccccc23)ccc1F 111788992 OVDYNJFYTJMCRX-UHFFFAOYSA-N 277.302 3.858 30 20 CHED Cc1ccccc1N/C(N)=N/CCc1cc2ccccc2o1 178582573 SWOBLKNWZRICQH-UHFFFAOYSA-N 293.370 3.711 30 20 CHED C=CCCCC(=O)Nc1ccccc1C(=O)NC(C)(C)C 177756312 AUDKJTQXTQPRJD-UHFFFAOYSA-N 288.391 3.510 30 20 CHED Cc1cccc(C=C2C(=O)c3ccccc3C2=O)c1C 171790921 ULLIZMDMGQXMPJ-UHFFFAOYSA-N 262.308 3.766 30 20 CHED C=CCC[C@@H](NCc1ncc(Cl)n1C)c1ccccc1 178759289 BVXOKPWWTAACNZ-CQSZACIVSA-N 289.810 3.871 30 20 CHED Cc1ccc([N+](=O)[O-])cc1Oc1ccc(Cl)c(C#N)n1 301511975 IUFWKUVQAPCPLY-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=CCCC(=O)Nc1scc(CC(C)C)c1C(=O)OC 60364971 VVFHNPUDTIGHDE-UHFFFAOYSA-N 295.404 3.638 30 20 CHED CCO[C@@H](CCNc1c(C#N)cccc1C#N)C1CCCC1 302871387 BWOARGIWRAFIBR-KRWDZBQOSA-N 297.402 3.827 30 20 CHED C=CCN(CC=C)Cc1cc2cc(OC)ccc2o1 505882080 YPTMYSPPPQVELY-UHFFFAOYSA-N 257.333 3.615 30 20 CHED CCC[C@H](C)CC(=O)N[C@H](C#N)c1ccccc1Cl 172025414 ORYAAJDMEUANGH-SMDDNHRTSA-N 278.783 3.847 30 20 CHED COCc1cccc(CNc2cc(C(C)=O)ccc2C#N)c1 302106479 NUPCFAGKGASTSC-UHFFFAOYSA-N 294.354 3.519 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 177178529 GWCCLHDCOJFUGM-UHFFFAOYSA-N 297.358 3.911 30 20 CHED CCO[C@H]1C[C@H](N(C)c2cccc(C#N)n2)C12CCCCC2 301843163 KLBXOFWIYARDLA-HOTGVXAUSA-N 299.418 3.517 30 20 CHED CCN(CCOc1cccc(C#N)c1)c1ccccc1C 34674030 USTJCJLLUPUXEQ-UHFFFAOYSA-N 280.371 3.772 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1Cl 126098668 XJEJKXLQDIPRLO-OAHLLOKOSA-N 288.778 3.616 30 20 CHED C[C@]1(c2ccccc2)CC[C@@H](N2CCC(C#N)CC2)C1 187085805 TVAPLXZAGQWWAP-MSOLQXFVSA-N 268.404 3.732 30 20 CHED Cc1cccc([C@@H]2CCCCN2C(=O)NC[C@H](C)C#N)c1C 182853171 MPPDQHFHUJEPQH-DYVFJYSZSA-N 299.418 3.700 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1CC[C@H](C)C1 189912753 JMZILETXGYEYCU-UONOGXRCSA-N 264.413 3.744 30 20 CHED C[C@H](CCc1cccn1C)Nc1ccc(C#N)c(Cl)c1 301473856 VFJKXUGTHYBZRG-GFCCVEGCSA-N 287.794 3.983 30 20 CHED C=CCCSc1nnc(-c2ccco2)n1CC(C)C 128536606 WDGQGZIDGKETDQ-UHFFFAOYSA-N 277.393 3.862 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 120101444 PHSKETJBUJHTEZ-YJBOKZPZSA-N 296.414 3.935 30 20 CHED C=CC[C@H](C(=O)N1CCS[C@@H](C)[C@H]1C)c1ccccc1 188110933 SVOGBQUGUMYGNS-YCPHGPKFSA-N 289.444 3.699 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2sccc2C#N)CC1 335463315 CQUVZBOSOLLXJH-LLVKDONJSA-N 260.362 3.695 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1cc(F)ccc1O 33447970 MICVLUDXQZRAIN-CLTKARDFSA-N 260.239 3.567 30 20 CHED C[C@@H](CCC(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 123958598 FJZUZEIALHQUNE-DZGCQCFKSA-N 272.392 3.625 30 20 CHED C=CCOCCSCCCOc1ccc(F)cc1 419353792 CWADBLCQGZMQSN-UHFFFAOYSA-N 270.369 3.530 30 20 CHED C=CCN(C(=O)/C=C\c1ccsc1)c1ccccc1 212693393 IOYPRTYYQGYNTE-HJWRWDBZSA-N 269.369 3.981 30 20 CHED Cc1cccc(C(C)C)c1NC(=O)c1ccc(C#N)c(C)n1 31874271 BPKQUQZQWOPNTP-UHFFFAOYSA-N 293.370 3.946 30 20 CHED CCN(C(=O)c1csc(Cl)c1)c1ccc(C#N)cc1 187965876 FTOQJNGYJZHAAU-UHFFFAOYSA-N 290.775 3.940 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1 339098467 HWZBUZMELBFCOR-OCCSQVGLSA-N 271.364 3.506 30 20 CHED CCCCOc1ccc([C@@H](C)NCCCC#N)cc1OC 180346179 DRPYGTZOLSSMNH-CQSZACIVSA-N 290.407 3.828 30 20 CHED CSc1cc(NC(=O)N(C)[C@@H](C)CC#N)ccc1Cl 417293339 JKAJYHILHABHJA-VIFPVBQESA-N 297.811 3.828 30 20 CHED CC(C)(CCC#N)CNCc1ccc(Cl)cc1F 189191362 IMJAKQBMXZJFQZ-UHFFFAOYSA-N 268.763 3.899 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)N(C)CCCC#N 121174199 TZJBDSGPWYUOSK-LBPRGKRZSA-N 265.426 3.872 30 20 CHED C[C@@H](NC(=O)c1coc2ccccc12)c1cccc(C#N)c1 75276361 NETATOBWIBCXGL-GFCCVEGCSA-N 290.322 3.795 30 20 CHED CC(C)CCOc1cccc(NC(=O)c2c[nH]c(C#N)c2)c1 180987430 JQQBEWQECRQNIU-UHFFFAOYSA-N 297.358 3.564 30 20 CHED CCO[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2O)C12CCC2 125182742 XQBZVTFWNPBQRA-UYHBEJOSSA-N 293.794 3.812 30 20 CHED Cn1c(CCSCC2(C#N)CCC2)nc2ccccc21 419577120 GVUWMMFPAKHMST-UHFFFAOYSA-N 285.416 3.543 30 20 CHED Cc1nn(-c2ccccc2)cc1NCc1cc(C#N)cs1 183091523 KDWHEXYWZKNMGM-UHFFFAOYSA-N 294.383 3.726 30 20 CHED C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)CC(F)(F)F 414264749 KZYRSKXTDPFDAI-IINYFYTJSA-N 282.309 3.724 30 20 CHED Cc1ccc([C@@H]2CCCN2c2ncc(C#N)cc2F)s1 413149118 ZPJQVWYYPBMJRH-ZDUSSCGKSA-N 287.363 3.804 30 20 CHED Cc1cnc([C@H](C)NCCC2(C#N)CCCCC2)s1 411528424 ANHILBLRDQXKGZ-ZDUSSCGKSA-N 277.437 3.966 30 20 CHED Cc1ccc([C@@H]2CCN([C@H](C)CCC#N)C2)c(C)c1 411660354 SBEAPQQMJHFCQQ-HZPDHXFCSA-N 256.393 3.785 30 20 CHED CC(C)CN(CCC#N)CC/C=C\c1ccccc1 323442289 SDLZGUXVUJRHGJ-WDZFZDKYSA-N 256.393 3.962 30 20 CHED Cc1ccc([S@@](=O)CCC2(C#N)CCCCC2)cc1 414236847 VUUPDNPBEHMWLV-IBGZPJMESA-N 275.417 3.967 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(-c2ccccc2)ns1 410123393 GCWZIAIIOSGXNH-CYBMUJFWSA-N 286.400 3.895 30 20 CHED Cc1ccc(-c2ncco2)cc1N=C(O)N1C[C@H]2CCC[C@H]21 328898156 XXGLZRKOJAJVNU-UKRRQHHQSA-N 297.358 3.680 30 20 CHED C[C@@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)CC(C)(C)C 617984576 SFWQKYZZHQMUTB-KBPBESRZSA-N 278.440 3.990 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccc(-c2ccccc2)cc1 84059438 VJNXJKLTWVNFTD-CYBMUJFWSA-N 279.343 3.635 30 20 CHED C[C@H]1/C(=C/c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 220270937 IKMYTOYHMCWWIT-MKVLZVNKSA-N 279.295 3.978 30 20 CHED C[C@H](/N=C(/O)C1CCCC1)/C(O)=N/C[C@@H]1CCCSC1 329331176 ZJIVTLLSPDFMKM-RYUDHWBXSA-N 298.452 3.621 30 20 CHED O/C(Cc1ccc2c[nH]nc2c1)=N/[C@@H]1CC12CCCCC2 329488083 GXABLJKWMGCPJZ-OAHLLOKOSA-N 283.375 3.785 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(CCC#N)CC(F)(F)F)C1 80857438 UECYEBRPIFVYJQ-RYUDHWBXSA-N 290.329 3.507 30 20 CHED C=CCC(CC=C)C(=O)NCC(C)(C)c1ccc(F)cc1 130556699 PVOJAPXTQKRDAJ-UHFFFAOYSA-N 289.394 3.988 30 20 CHED C[C@@H](CCc1ccccc1)NCc1ccc(C#N)cc1F 44299799 ZEXGVVQLEWVJEP-AWEZNQCLSA-N 282.362 3.808 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ncccc2C#N)c1 48625944 MXOWFKMWRXDMIH-INIZCTEOSA-N 263.344 3.603 30 20 CHED C=CCC[C@@H](CC)N[C@H](C)c1nc(C(C)(C)C)no1 191569416 ISFHRCIJCOGUGD-VXGBXAGGSA-N 265.401 3.763 30 20 CHED C[C@@H](NCCCCC#N)c1ccccc1Br 88162676 ZJOFGZBEXBGJSB-LLVKDONJSA-N 281.197 3.794 30 20 CHED CC(C)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 41536312 OIQGIEJPZFPTMZ-GFCCVEGCSA-N 270.357 3.642 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(Cl)c(OC)c(OC)c1 426568706 SKPLYCPRGJNTAP-CYBMUJFWSA-N 295.810 3.898 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)[C@@H]2CC[C@@H](C)O2)[nH]1 330208086 ATPDCQFIGXXFRT-RISCZKNCSA-N 285.347 3.541 30 20 CHED C=CCN(C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 428381180 NLHSBCZZQUFDQN-UHFFFAOYSA-N 295.308 3.509 30 20 CHED Cc1c(C(=O)Nc2ccccn2)sc2ccc(C#N)cc12 429912094 VEXQFVZMIVCMCV-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CSc1cccc(/C(O)=N/[C@@H]2CCC[C@H]2C)c1[N+](=O)[O-] 330370644 FYHOAUPCVUIXPX-MWLCHTKSSA-N 294.376 3.810 30 20 CHED N#CCN(Cc1cccc(OCc2ccccc2)c1)C1CC1 511926264 ISYOICHMDAUZDN-UHFFFAOYSA-N 292.382 3.754 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 337827368 RAJZVTLRWPCGAQ-SCLBCKFNSA-N 282.387 3.519 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1cccc(C#N)c1C)C1CC1 337868890 MHIORCUFMUNCAG-OCCSQVGLSA-N 284.403 3.906 30 20 CHED CC(C)(C)c1ncc(C(=O)Nc2ccccc2CC#N)s1 339175557 SZXBHBFGEFPHPA-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](SCC)C1 424708254 RIUGKRIBTRSPHT-OLZOCXBDSA-N 269.454 3.769 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1CC[C@@H](C)C1 425125011 FYDOWQQNPYIKRH-QLFBSQMISA-N 284.403 3.904 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)C2(C#N)CCCCC2)c1 330383903 KFFHZSKNHUXXKR-HNNXBMFYSA-N 284.403 3.955 30 20 CHED Cc1ccc(C(=O)NCC2CCC(C#N)CC2)c2c1CCC2 333151022 AOTLERLVBBYHCM-UHFFFAOYSA-N 296.414 3.544 30 20 CHED CC[C@H](/N=C(/O)c1c(C)coc1C)c1c(C)noc1C 330482010 QPFFMXYJVWWDRK-LBPRGKRZSA-N 276.336 3.957 30 20 CHED C=CCSCCNc1cc(Cl)ccc1[N+](=O)[O-] 231955392 TYRNIRYVUFLVLQ-UHFFFAOYSA-N 272.757 3.579 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N[C@H]1CCC[C@@H]1C#N 334081523 OWGCGRYQBQIZML-CVEARBPZSA-N 299.418 3.934 30 20 CHED N#Cc1ccc(NC2CCN(C3CCC3)CC2)cc1Cl 296027807 OWYSQBWIJBMMHB-UHFFFAOYSA-N 289.810 3.640 30 20 CHED OC(=Nc1ccc2c[nH]nc2c1)[C@H]1CCCN1C1CCCC1 330129677 KDNCGAGRHVYXFU-MRXNPFEDSA-N 298.390 3.558 30 20 CHED CCc1ccnc(C/N=C(/O)N[C@@H]2CCCC[C@H]2CC)c1 331253220 ZWGGQYFOWDWVDZ-GDBMZVCRSA-N 289.423 3.616 30 20 CHED CCN(C(=O)[C@@]12CCC[C@@H]1C2)c1ccc(C#N)c(Cl)c1 335071344 CCXMBIWJISRMDU-MLGOLLRUSA-N 288.778 3.755 30 20 CHED CSCc1ccc(C(=O)N(C)c2ccccc2C#N)cc1 337845835 HSRACGKIKPTBBO-UHFFFAOYSA-N 296.395 3.698 30 20 CHED C=CCCN(C)C(=O)c1ccc(Cl)c2ncccc12 337986411 RPRVTRDMNIZECO-UHFFFAOYSA-N 274.751 3.536 30 20 CHED C[C@@H](NCC12CCC(CC1)C2)c1ccc(C#N)c(F)c1 346203926 RZBFXXCBPWNSAQ-SFYCDEOASA-N 272.367 3.928 30 20 CHED CSCCCNc1c(C#N)cnc2c(F)cc(F)cc12 346418601 KYCFAHGLZCLNCS-UHFFFAOYSA-N 293.342 3.550 30 20 CHED N#CCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 343899937 URCZBEUVOSQTKY-INIZCTEOSA-N 296.395 3.550 30 20 CHED CC1(C)CC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 348275113 MGRVBASCEGXWRP-JKSUJKDBSA-N 254.377 3.714 30 20 CHED Cc1ccc(C#N)c(NCc2ccccc2N(C)C(C)C)n1 342965458 MAHDAJXBQGSJDD-UHFFFAOYSA-N 294.402 3.718 30 20 CHED C=CCC[C@@H](CC)Nc1cc(COC)cc(C(=O)OC)c1 430211718 YEHHERKBEPAKOG-OAHLLOKOSA-N 291.391 3.776 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2CN[C@H]1CCC[C@@H](C#N)C1 249057404 ZCJIRXHTBIOXNB-OIISXLGYSA-N 298.430 3.787 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1SCC1CCCCC1 609383748 YRKSLQWYIHZMRS-UHFFFAOYSA-N 277.349 3.534 30 20 CHED C[C@@]1(C/N=C\c2cc(Cl)cc(Cl)c2O)CCCO1 254948921 PYWILTQUEADYTK-BWADBZPLSA-N 288.174 3.687 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C(C)=O)cc1 346536913 ATHBPVJTTLAEQP-UHFFFAOYSA-N 293.366 3.718 30 20 CHED COc1cccc(C/N=C\c2cc3ccccc3nc2O)c1 255559306 JFRFDYZMYNQOAB-UNOMPAQXSA-N 292.338 3.568 30 20 CHED CCc1ccc(N=Cc2cc(OC)ccc2O)cc1 254848697 KQYCRWQRPQOVJL-UHFFFAOYSA-N 255.317 3.714 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@@H]1CCCC[C@@H]1C 522633828 ZDCRMRQDHZYZKE-JSGCOSHPSA-N 286.375 3.722 30 20 CHED C=CCN(CC=C)C(=O)CSc1cc(C)ccc1C 255931423 AJCMJHCXMGLKQL-UHFFFAOYSA-N 275.417 3.596 30 20 CHED Oc1ccccc1/C=N\[C@H](C[C@H]1CCOC1)c1ccccc1 255657963 NPJZBJWQZGWIBJ-NOXZPDHRSA-N 295.382 3.979 30 20 CHED C[C@H](CCC#N)CNC[C@@H](c1ccccc1)C1CC1 602668094 BOMLFVNXDSRQKL-PBHICJAKSA-N 256.393 3.710 30 20 CHED C=CCCCC[C@@H](C)NCc1nccc(C(F)F)n1 449335139 ZCSLOGKBKXKVTD-LLVKDONJSA-N 269.339 3.639 30 20 CHED C[C@H](SC[C@@H]1CCO[C@H]1C)c1cccc(C#N)c1 601053488 HFYKBVFUHAFSFI-HUBLWGQQSA-N 261.390 3.777 30 20 CHED CSc1ccccc1CN(C)C[C@H](C)CCC#N 602652146 WPUBURXBJCAKPK-CYBMUJFWSA-N 262.422 3.780 30 20 CHED CC1(C)CCCN(Cc2ccccc2OC(F)F)[C@H]1C#N 444732745 WNXKTWIFWMYBMB-AWEZNQCLSA-N 294.345 3.802 30 20 CHED C[C@H](C(=O)N[C@H](C)CC#N)c1c(Cl)cccc1Cl 604573454 WVKRGGDLOQYOMV-BDAKNGLRSA-N 285.174 3.515 30 20 CHED CCN(Cc1cccc(C#N)n1)Cc1ccc(Cl)s1 602431853 FOISZWFPHRABHO-UHFFFAOYSA-N 291.807 3.690 30 20 CHED Cc1nc(N[C@@H](C)CC#N)c2c(CC(C)C)csc2n1 609132614 RQUMNWPUWMAJMN-JTQLQIEISA-N 288.420 3.912 30 20 CHED C=CCCCc1nc([C@H](OCC)c2ccccc2)no1 445781540 CADYQVVUSGWZDN-OAHLLOKOSA-N 272.348 3.704 30 20 CHED N#Cc1cccc(Sc2nc(-c3ccccc3)co2)n1 357621540 AJBCQYMSSYUQPD-UHFFFAOYSA-N 279.324 3.759 30 20 CHED CCC(CC)Oc1ccc(C(=O)N[C@@H](C#N)C(C)C)cc1 449859083 VOFKNFIEHWDUBF-INIZCTEOSA-N 288.391 3.532 30 20 CHED CCCCn1c(S[C@@H](C#N)C2CC2)nc(C)c1C 601075240 MVGWBPCPGIGEBW-ZDUSSCGKSA-N 263.410 3.694 30 20 CHED C=C(C)CN(CC)Cc1nnc(-c2cccc(Cl)c2)o1 359386526 LRDVEZUGQRJSQK-UHFFFAOYSA-N 291.782 3.788 30 20 CHED CC[C@H]1C[C@H](C)CN1Cc1cccc(OCCCC#N)c1 537625275 WPJRGNMWHVMUMK-RDJZCZTQSA-N 286.419 3.990 30 20 CHED C=CCCCC[C@@H](C)NCCCc1nccs1 449221791 HFHZMGNNYWGNLJ-CYBMUJFWSA-N 252.427 3.800 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(c3ccccc3Cl)CC2)C1 442846465 OJBXTNRZZCMULX-CHWSQXEVSA-N 274.795 3.653 30 20 CHED C[C@@H](C#N)CN(C)C(=O)C1CCC(c2ccccc2)CC1 266236685 DHASYUHBOIYHSR-OOHWJJMZSA-N 284.403 3.578 30 20 CHED C=CC(C)(C)C(=O)N(CCC)CCc1cccc(F)c1 448986038 YRUBLMRTCCKGMK-UHFFFAOYSA-N 277.383 3.819 30 20 CHED CC[C@H](CC#N)NC(=O)CCc1ccc(-c2ccccc2)o1 358063262 IXANXMNLKQENKZ-OAHLLOKOSA-N 296.370 3.688 30 20 CHED CC(C)(CN[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 442708013 IGTLCRFMIFTLFM-WFASDCNBSA-N 276.811 3.899 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(SC)cn1 268196035 LSHIGZXZKDNUIG-UHFFFAOYSA-N 262.378 3.510 30 20 CHED Cc1ccc(C(C)(C)NCCCCC(C)(C)C#N)cn1 444672121 FJNQHBXVGOLGBS-UHFFFAOYSA-N 273.424 3.935 30 20 CHED C=CCC[C@H](NCCc1cccnc1OC)c1ccco1 353541221 RCBCUHYWWWYRQO-HNNXBMFYSA-N 286.375 3.523 30 20 CHED CC1(C)CCCN(Cc2cccc3cc[nH]c23)[C@@H]1C#N 446974478 ISVBLYTZLANPLN-OAHLLOKOSA-N 267.376 3.682 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)cs1 531208863 AAYZUFWOMWLBNG-STQMWFEESA-N 276.405 3.708 30 20 CHED C=CCCCC[C@H](C)NCc1ncc(C(F)(F)F)cn1 449469931 JAMRBOKQMGMWOE-NSHDSACASA-N 287.329 3.720 30 20 CHED C=C(C)CN(C[C@@H]1CCCO1)C1CCC(C)CC1 441449208 OSNISKTUKHCBLW-GPANFISMSA-N 251.414 3.622 30 20 CHED CC(C)CCOc1ccc(CN2CC[C@@](F)(C#N)C2)cc1 615651573 UFUFVRJFYNUVKG-QGZVFWFLSA-N 290.382 3.549 30 20 CHED Cc1ccccc1[C@H](NCC1(CC#N)CC1)C1CC1 619535248 LANYMGBPRUWGMK-MRXNPFEDSA-N 254.377 3.730 30 20 CHED CC[C@@H](CC(=O)NCc1cccc(C#N)c1)c1ccccc1 264062213 QADGFHCMDCLTNA-KRWDZBQOSA-N 292.382 3.758 30 20 CHED CN(CCC1CCCCC1)C(=O)c1ccc(C#N)cc1 263826192 SETQKCBJJQOLEL-UHFFFAOYSA-N 270.376 3.601 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1c1ccc(C)cc1 449984190 GQKWALVDDPFWBQ-SQNIBIBYSA-N 299.414 3.640 30 20 CHED CC(C)c1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)n1 354809359 YKHOOXSDTNOXAW-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CCN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@@H](C)C(C)C 618846982 OBFLAZSIAHRXDU-SUMWQHHRSA-N 299.418 3.622 30 20 CHED CCCC[C@@H](CCC)CNC(=O)N1CCC[C@@](C)(C#N)C1 612137741 CKVAWFXMKUWINP-WBVHZDCISA-N 293.455 3.928 30 20 CHED CC(C(=O)N[C@@H](C)c1ccc(C#N)cc1)=C1CCCC1 267851670 LLFVHUDRGSCKOS-ZDUSSCGKSA-N 268.360 3.626 30 20 CHED COc1cc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)ccc1C#N 440827256 PVVCVMBHQVWLGA-BFYDXBDKSA-N 284.403 3.625 30 20 CHED N#Cc1ccc(CNC2CCc3ccccc3CC2)cc1 449596755 YDBHCXNZMGZEHY-UHFFFAOYSA-N 276.383 3.595 30 20 CHED C=CCC(CC=C)c1nc(Cc2c(C)noc2C)no1 350487061 HFNULNUHWRLMMI-UHFFFAOYSA-N 273.336 3.501 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2c(C)[nH]c3ccccc23)C1 617787637 SYSPYSYFFDWHQM-OAHLLOKOSA-N 296.414 3.834 30 20 CHED C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1cccc(C#N)c1 612045963 UASDYKUGQIDWFF-ZIAGYGMSSA-N 278.355 3.539 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@]2(CCSC2)C1 451960564 CCZSXKZXZQHMBJ-YOEHRIQHSA-N 286.444 3.838 30 20 CHED Cc1cc(NC(=O)NCC(C)(C)CC#N)c2ncccc2c1 459484875 REXMUHWNMPMPFS-UHFFFAOYSA-N 296.374 3.605 30 20 CHED C=CCCCC[C@H](C)NC[C@H]1CCOC(C)(C)C1 453408454 GQGALSICKLWSBQ-GJZGRUSLSA-N 253.430 3.916 30 20 CHED C#CCC(C)(C)C(=O)N1CCc2sccc2[C@H]1CC 185324497 BOUXBDMGJBWEGC-CYBMUJFWSA-N 275.417 3.633 30 20 CHED Cc1ccc(CNCc2ccc(C#N)c(Cl)c2)s1 619748430 DXILTLJDBBLKSS-UHFFFAOYSA-N 276.792 3.871 30 20 CHED CC(C)(C)CN(CCC#N)C[C@H]1CCOc2ccccc21 611268826 RQLRDCQGULKFJB-OAHLLOKOSA-N 286.419 3.814 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccco1 610172670 UUGGKAWPWXJBCK-LBPRGKRZSA-N 298.342 3.681 30 20 CHED CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 456314521 MCVVFRAELYLYOA-HOCLYGCPSA-N 284.403 3.510 30 20 CHED N#CCc1cccc(NC(=O)N2CCCC3(CCC3)C2)c1 455905281 LQMNLNLREWVEMC-UHFFFAOYSA-N 283.375 3.551 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)Cc1ccsc1 539388817 UBBDKOFAPPIYIU-STQMWFEESA-N 280.437 3.723 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCC1(C(F)F)CC1 619465951 MHZAPJMWFUVDID-CQSZACIVSA-N 276.330 3.571 30 20 CHED N#C[C@]1(F)CCN(C(c2ccccc2)c2ccccc2)C1 619781823 SBBKCVNGHRXRJL-GOSISDBHSA-N 280.346 3.714 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1ccccc1F)C(C)C 458982159 ABXIHBZUWCLYFC-UHFFFAOYSA-N 292.398 3.958 30 20 CHED CC(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 610259436 SJCWCJFDGBNNPV-UHFFFAOYSA-N 282.303 3.728 30 20 CHED C=C(C)[C@H](CC(=O)N1CC2(CCCC2)[C@@H]1C(C)C)OCC 457175485 SKYCZZSMNCYXHQ-RDJZCZTQSA-N 293.451 3.785 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 450046141 RGOCUIREMKMPOR-QWRGUYRKSA-N 277.330 3.684 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)c1ccc(Br)cc1 452719504 TWUXMWUJKBMUKN-NSHDSACASA-N 296.208 3.635 30 20 CHED CC(C)Oc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 274222181 QENWCLULMYRSHR-GOEBONIOSA-N 272.392 3.646 30 20 CHED CCc1ccc([C@@H](COC)NCCCCC(C)(C)C#N)o1 278576122 CJJKVSKAGZMBRI-OAHLLOKOSA-N 292.423 3.839 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2cccc(OCC#N)c2)CS1 276839996 BYZSPDMFBVYRBM-HIFRSBDPSA-N 276.405 3.531 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)NCCCC#N 273194370 HODBGCLAELYMQA-LLVKDONJSA-N 270.298 3.530 30 20 CHED C[C@H](C#N)C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 456858767 DUXVANNTJCUGHM-KYOSRNDESA-N 290.794 3.642 30 20 CHED C=CCCNC(=O)c1cccc(NCC(C)(C)C)c1C 622143368 QTEJIMYJFAVSAR-UHFFFAOYSA-N 274.408 3.759 30 20 CHED CC(C)(C#N)CCSCCOc1ccccc1[N+](=O)[O-] 276656517 WFNNJBKRTRUJMM-UHFFFAOYSA-N 294.376 3.647 30 20 CHED C=CCCCC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 279445298 DTPRDUGKOSOVMF-GJZGRUSLSA-N 284.403 3.970 30 20 CHED N#CCCCN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 276458579 ODOWJVVZXYDCIZ-KRWDZBQOSA-N 294.402 3.907 30 20 CHED CC[C@H](NCCc1csc(C)n1)c1ccc(C#N)cc1 278312951 UBXLHJLGWZUQEW-INIZCTEOSA-N 285.416 3.607 30 20 CHED CC1(C)CC(CNC(=O)Nc2ccc(C#N)cc2Cl)C1 548735358 VNRBWZNAKPFOCE-UHFFFAOYSA-N 291.782 3.769 30 20 CHED CC(C)(C#N)CCN[C@H](C[C@@H]1CCOC1)c1ccccc1 272032269 PJVSDQOSUFCHFR-DOTOQJQBSA-N 286.419 3.684 30 20 CHED C=CCCN(C)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 466777648 PMDBBQPWSQRYNB-GWCFXTLKSA-N 296.773 3.553 30 20 CHED C=C(C)C[C@@H](C)C(=O)N(CC)Cc1cccc(F)c1 464537003 WCBHSGWOCFAOKY-CYBMUJFWSA-N 263.356 3.777 30 20 CHED C[C@@H](c1noc(-c2cccc(CC#N)c2)n1)C(C)(C)C 545713448 UBYXJNQDJJVZES-NSHDSACASA-N 269.348 3.952 30 20 CHED C=CCCC(=O)N1CC[C@@H]1c1ccc(Br)cc1 620334919 XYGMWUKAJHWZRW-CYBMUJFWSA-N 294.192 3.689 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H]2CCC[C@H]2C1 549670089 ONKNVYVINPWZFH-KFWWJZLASA-N 288.439 3.604 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 466128610 LUVBEILJVKPLSK-IJEWVQPXSA-N 283.375 3.649 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N[C@@H](C#N)C(C)C 464308418 ZPDYMVHWRZADSH-GJZGRUSLSA-N 264.413 3.647 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CCC(C)C)C1CCCC1 280753149 MOBMNVRGOUDVQD-UHFFFAOYSA-N 288.391 3.891 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Cl)c2cccnc12 466529965 MQFLLNKMARMFPL-LLVKDONJSA-N 288.778 3.973 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1c1ccco1 371468679 KKAPCMAJPMMCGZ-HUUCEWRRSA-N 299.345 3.737 30 20 CHED Cc1nsc(N2C[C@H](c3ccccc3)C[C@@H]2C)c1C#N 553103165 CDERQIPXKSOXQQ-SMDDNHRTSA-N 283.400 3.706 30 20 CHED CC(C)(C)CCCC(=O)N[C@@](C)(C#N)C(C)(C)C 464160090 VOPBWHATJHTZAR-HNNXBMFYSA-N 252.402 3.647 30 20 CHED C=C(C)COc1cccc(NC(=O)N2[C@H]3C=CC[C@H]2CC3)c1 378255777 XNCSSAIXFDRHRD-HOTGVXAUSA-N 298.386 3.966 30 20 CHED C[C@H](C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1cccc(C#N)c1 462547887 GYRFGWFLCRGUTH-VWPFQQQWSA-N 284.403 3.603 30 20 CHED C=C[C@@H](CC(=O)Nc1ccn(C(C)C)n1)c1ccccc1 280490362 OUWBNSTYXYNGCO-AWEZNQCLSA-N 283.375 3.762 30 20 CHED CCn1ccnc1[C@H]1CCCCN1Cc1cccc(C#N)c1 281174094 QYJCHXKTSLIJNP-QGZVFWFLSA-N 294.402 3.502 30 20 CHED CC(C)n1nccc1/C=C1/Cc2c(F)ccc(F)c2C1=O 280003380 HYZYTHWMIMWBLJ-YFHOEESVSA-N 288.297 3.565 30 20 CHED CC[C@@H](NCc1ncc(C)s1)c1ccc(C#N)cc1 556063722 KPEMCJMZFPAIDQ-CQSZACIVSA-N 271.389 3.564 30 20 CHED C=CCCCN[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 554868075 BSZYOAYNXCSPNS-GFCCVEGCSA-N 289.354 3.801 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1cccc(F)c1 805696916 PDHXTZBOEURSKP-GFCCVEGCSA-N 263.312 3.904 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Nc2cccc(C#N)c2)c1 551095472 NXHUVGYCWXRMLG-UHFFFAOYSA-N 279.343 3.843 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC2(CCCC2)C1 800777345 LGFXXIJEIJXABT-CQSZACIVSA-N 288.439 3.748 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@H](C(C)C)C1 554627258 ATZBZVHAFJJATE-HNNXBMFYSA-N 288.439 3.604 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)[C@H](C)c1ccccc1 553152164 CMWVGETXZYFRCQ-STQMWFEESA-N 251.333 3.557 30 20 CHED Cc1cc(COC(=O)c2ccc(Cl)c(C#N)c2)cs1 809237161 MIJIYZYEIPKCLC-UHFFFAOYSA-N 291.759 3.939 30 20 CHED N#CC1(CNC2CCC(c3ccccc3)CC2)CC1 562391621 NGLWDWWUBGZINQ-UHFFFAOYSA-N 254.377 3.606 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cccc(-n2ccnn2)c1 562056893 MGXHQNXXYBXDES-HUUCEWRRSA-N 284.407 3.663 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)n1 561322156 ZFIFTTNBQOPKRI-SAZUREKKSA-N 299.324 3.898 30 20 CHED C#CCC(C)(C)C(=O)O[C@H]1CCc2c(Cl)cccc21 803438866 JDQOTJFGQBJBRJ-AWEZNQCLSA-N 276.763 3.920 30 20 CHED C=CCN(CCc1ccccc1)c1nnc([C@H](C)CC)n1C 567201995 UIQCWIQIDPHQJO-OAHLLOKOSA-N 298.434 3.564 30 20 CHED C#C[C@@H](NCc1ccc(OCC)c(OCC)c1)C(C)(C)C 809782135 IVSGGRFJNBFXSZ-QGZVFWFLSA-N 289.419 3.622 30 20 CHED CSc1ccc(NC(=O)CCCC#N)cc1Cl 292295186 YLQIZRNLQUDLNP-UHFFFAOYSA-N 268.769 3.694 30 20 CHED COc1nc(C)cc(C)c1CSc1ccccc1C#N 561456301 ZGCVCHBZHGFQBU-UHFFFAOYSA-N 284.384 3.871 30 20 CHED C#C[C@@H](NC/C=C\c1ccc(F)c(F)c1)C(C)(C)C 809782715 FKNDJVORYHUQPM-IDTUSYRASA-N 263.331 3.616 30 20 CHED CC[C@H](NC(=O)CCCC#N)c1ccc(Cl)s1 291626037 FZDKYOUJHHCUDR-VIFPVBQESA-N 270.785 3.663 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1Cc2ccccc2C1 290072463 CLNFGBRZIDOPKL-UHFFFAOYSA-N 296.418 3.573 30 20 CHED C=C(C)CN1CCc2cc(-c3ccccc3)oc2C1 477052822 XCPNFRQYZHQMDF-UHFFFAOYSA-N 253.345 3.881 30 20 CHED C[C@@]1(c2ccccc2)CCN(c2nccc(C#N)c2Cl)C1 561235796 OFQQDUZEORKHQF-QGZVFWFLSA-N 297.789 3.775 30 20 CHED C=CCSc1ccccc1C(=O)OCCCCF 803446437 JMJQVQCBTFFUFG-UHFFFAOYSA-N 268.353 3.871 30 20 CHED C=CCOCC(=O)NCc1ccc(C2CCCCC2)cc1 647068246 YABXKPGXMQQWDG-UHFFFAOYSA-N 287.403 3.553 30 20 CHED CCC[C@H](C(=O)Nc1cc(C#N)ccc1OCC)C(C)C 486366014 KIQCISDCCNEPFN-AWEZNQCLSA-N 288.391 3.968 30 20 CHED C=CCC(F)(F)C(=O)N(C)C1CCCCCCC1 815166319 AKCXQCLWMKCGRV-UHFFFAOYSA-N 259.340 3.769 30 20 CHED C=CC[C@H](C(=O)N(C)[C@H](C)C1CCC1)c1ccccc1 489627618 XJFDDXCPKNTMDU-PBHICJAKSA-N 271.404 3.993 30 20 CHED C/C(=C/C(=O)OC1(CC#N)CCC1)c1cccc(F)c1 810859483 LLHXACTULJCISR-BENRWUELSA-N 273.307 3.609 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(Cl)cc1 811947941 SXMCHWIYEOEQKA-RISCZKNCSA-N 277.795 3.813 30 20 CHED FC(F)(F)c1cccc(NN=C2C[C@H]3CC[C@H]2C3)n1 814853811 WVVQUMGCUBCMHT-IUCAKERBSA-N 269.270 3.688 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(O)c(Cl)c1 811672042 ONMSUOMQLUHIDW-MSVOIAIGSA-N 260.120 3.539 30 20 CHED C=C[C@H]1CCCCN1c1ccnc(-c2ccccc2)n1 486502849 AOHULNPDXKGLMW-HNNXBMFYSA-N 265.360 3.689 30 20 CHED C=CCCCCS[C@@H](C)C(=O)NC1CCCC1 578426803 NHZIOFGKESWIBA-LBPRGKRZSA-N 255.427 3.523 30 20 CHED COc1ccc(C(C)=NNc2ccccc2F)cc1F 812460422 SCFCVTDLDVYQEK-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CO[C@H](C(C)=NOC/C=C/Cl)c1ccccc1 811667999 IWEFFTGIIAYBFV-CJVYLYJTSA-N 253.729 3.519 30 20 CHED CC(C)n1ccnc1SCc1cccc(F)c1C#N 488226425 ACTQIFHVAFUWCT-UHFFFAOYSA-N 275.352 3.767 30 20 CHED CC(=NOC1CCC1)c1cccc(C(F)(F)F)c1 812235087 KVDJRAUZCCEFRF-UHFFFAOYSA-N 257.255 3.999 30 20 CHED Fc1ccccc1NN=Cc1c[nH]c2ccccc12 812459001 OSDJSFYGMUDHTD-UHFFFAOYSA-N 253.280 3.753 30 20 CHED Clc1ccc(NN=C2COc3c(Cl)cccc32)cn1 814858553 BJZBKGIOFVYHLG-UHFFFAOYSA-N 294.141 3.597 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC(C=C)CC1 577510968 MDDUPPGCGCSAFZ-UHFFFAOYSA-N 286.423 3.524 30 20 CHED CCCCC[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 486804263 UUASCYNJYDZKSB-QGZVFWFLSA-N 299.418 3.541 30 20 CHED C=CCOc1ccc(C=NNC2CCCC2)cc1Cl 727652314 XUNALGCUEBFZBN-UHFFFAOYSA-N 278.783 3.771 30 20 CHED COc1ccc(CON=Cc2cccc(F)c2)cc1F 824228582 RSVAOBCPRVRXOU-UHFFFAOYSA-N 277.270 3.524 30 20 CHED CC#CCCNC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 498602062 JXKZLLZWIDUZCG-CQSZACIVSA-N 297.320 3.729 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C2CCC2)C1 665736917 DJZHNAUKPNTIIT-DZGCQCFKSA-N 264.413 3.563 30 20 CHED C=CCCNC(=O)Nc1cc(SC)ccc1Cl 667461948 SNJZKPORBUHHCZ-UHFFFAOYSA-N 270.785 3.760 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cscc1C 666419697 XKCAKJLZSAMDSJ-UHFFFAOYSA-N 252.383 3.923 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1csc(Cl)n1 823619190 ZFWAGOANXYSCRG-SNVBAGLBSA-N 291.807 3.861 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(Cl)cc1SC 824296102 WBYIBUCASGNKAG-VIFPVBQESA-N 282.796 3.547 30 20 CHED Cc1csc(NC(=O)N2CCCC[C@H](C)C2)c1C#N 580960125 FBEUGWDLLHILEI-JTQLQIEISA-N 277.393 3.582 30 20 CHED C[C@@H](ON=Cc1ccccc1F)c1cccc(C#N)c1 588614524 BUKUBHUOWGENBR-GFCCVEGCSA-N 268.291 3.809 30 20 CHED CC(C)(C#N)CCSc1nc2ncc(Cl)cc2o1 901669104 IIERLAKKDMYCCU-UHFFFAOYSA-N 281.768 3.908 30 20 CHED C=CC[C@@H](C)NCc1ccc(F)c(Br)c1 116927710 XHEBWSFEHYUEGK-SECBINFHSA-N 272.161 3.642 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3cccc(F)c3o2)C1 839060919 ZUOIGXLIRMEWEH-ZYHUDNBSSA-N 287.290 3.811 30 20 CHED CC(C)c1ncc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)s1 839059129 YWQSSPIEALCGEY-WDEREUQCSA-N 278.377 3.506 30 20 CHED Cc1ccc(C[C@H](C)C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839049599 HMHJOWSDCRAXJF-BHYGNILZSA-N 285.387 3.799 30 20 CHED Cc1cc(C)c(/C=C/C=C2/C(=O)c3ncnn3[C@@H]2C)c(C)c1 905083817 FTAGJZQHIDWBMS-FKVVJADZSA-N 293.370 3.600 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCc3ccccc32)C1 839042067 COJFPQLKAZLKNL-FRFSOERESA-N 283.371 3.732 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1 833309856 HENJRMYNISVDPD-HJWRWDBZSA-N 288.249 3.559 30 20 CHED C=CC[C@H]1CCCN(Cc2cc(COC)cs2)C1 668494366 YCAPXBNEDGNCNI-ZDUSSCGKSA-N 265.422 3.683 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)n1C)c1ccc(C)cc1 835112582 ZOXWVFUNIYLBJS-MRXNPFEDSA-N 282.343 3.513 30 20 CHED CC1(C)OCC[C@@H]1NN=Cc1c(Cl)oc2ccccc12 835017878 ZWWXUBQWNXKXOQ-ZDUSSCGKSA-N 292.766 3.577 30 20 CHED CS[C@H]1CCCC(=NNc2cc(Cl)ccn2)C1 901216079 VUVVWQQEDQFPGE-NSHDSACASA-N 269.801 3.809 30 20 CHED C[C@H](OC(=O)C1CC2(CCC2)C1)c1cccc(C#N)c1 830626324 UCLARDLPWYRBCV-LBPRGKRZSA-N 269.344 3.743 30 20 CHED N#CCCCCCC(=O)Nc1ccc(F)c(Cl)c1 588146878 CFPAIIRYMZLWJP-UHFFFAOYSA-N 268.719 3.892 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)[C@@]2(C#N)CC23CCCC3)C1 839212315 LBHDMNLFIKMPQK-IOASZLSFSA-N 261.365 3.582 30 20 CHED CC#CCNC(=O)c1sc2cc(C)ccc2c1Cl 677813448 QFNJLFYPROJOFG-UHFFFAOYSA-N 277.776 3.616 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1ccc(OC(F)F)cc1 734988040 VDKNXMAVDLTPCF-SECBINFHSA-N 286.347 3.539 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1csc(C(=O)O)c1 588394321 GTSMTXLGRVMCLG-HYXAFXHYSA-N 290.315 3.790 30 20 CHED C#C[C@H](NCc1ccc(F)cc1C(F)(F)F)C(C)C 387630791 ISJKXTJFLYGPCZ-ZDUSSCGKSA-N 273.273 3.592 30 20 CHED C=CCC1(C(=O)O[C@@H]2CCOC(C)(C)C2)CCCC1 835336022 PXBFMDGEPYJRGN-CYBMUJFWSA-N 266.381 3.624 30 20 CHED C=CC[C@H](NC(=O)c1cc(C)n(CC)c1C)c1ccncc1 734457253 ISIAPGWAAANINN-KRWDZBQOSA-N 297.402 3.567 30 20 CHED C=CCCCCCN(C)C[C@@](C)(O)c1ccccc1 739932022 VVHHJXLBXKMJJN-QGZVFWFLSA-N 261.409 3.572 30 20 CHED Cc1cccc(C)c1COC(=O)c1ccccc1CC#N 738599630 BTDMMKFWMFGCCD-UHFFFAOYSA-N 279.339 3.727 30 20 CHED C#C[C@H](NC(=O)Nc1scnc1C(C)C)c1ccccc1 831847777 CSMVNZJGTKGZQX-ZDUSSCGKSA-N 299.399 3.763 30 20 CHED COc1ccc(NC(=S)NN=CC2CCCCC2)cc1 915925242 LKHUARYTYPBUEN-UHFFFAOYSA-N 291.420 3.548 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 839047767 ZYGNMWHKDQMBMY-CAPXZKIUSA-N 287.334 3.555 30 20 CHED CC(Cc1coc2ccccc12)=NOCC(F)F 834968058 BFUIYNDGIQNGEG-UHFFFAOYSA-N 253.248 3.633 30 20 CHED CCN(C(=O)[C@@H](C)c1cccc(CC(C)C)c1)[C@H](C)C#N 598363227 NSYWWYJZSVRMDV-CABCVRRESA-N 286.419 3.749 30 20 CHED CO[C@](C)(C1CC1)[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 591247024 SLEIKAXHISXKKC-AGRHKRQWSA-N 298.430 3.729 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(F)c1F)C2 747440656 NRPMCINWNGFVIF-XYOKQWHBSA-N 286.277 3.796 30 20 CHED CC1(c2noc(/C=C/c3ccc(C#N)cc3)n2)CCCC1 599197414 FWOLVIIEQXSKAI-CMDGGOBGSA-N 279.343 3.943 30 20 CHED Cc1cc(C(=O)/C=C\c2c(C)n[nH]c2C)cc(C)c1F 741466666 AGBNUMDVONFUFS-WAYWQWQTSA-N 272.323 3.679 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 598820439 VPJNSWIAIFIXAQ-FOLVSLTJSA-N 286.350 3.852 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1F)C2 747441680 XPUJQPGVZYZIGR-GHXNOFRVSA-N 286.277 3.796 30 20 CHED CC[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 596097960 PKNAGKSJVAKWAA-HZPDHXFCSA-N 299.418 3.515 30 20 CHED CC(C)C[C@H](C(=O)N(C)[C@@H](C)C#N)c1ccc(Cl)cc1 598844805 QKPWDNLPEOTKSK-WFASDCNBSA-N 292.810 3.840 30 20 CHED Cc1ccccc1/C=C1/CCc2c(O)cccc2C1=O 742435836 ZJNRQCRBXOQRSM-KAMYIIQDSA-N 264.324 3.913 30 20 CHED N#CC1(CSc2ccc([N+](=O)[O-])cc2F)CCC1 590736743 AMLKHERIOCSUER-UHFFFAOYSA-N 266.297 3.520 30 20 CHED Cc1ccc(C#N)nc1NCc1ccc([C@@H]2C[C@@H]2C)o1 596089141 XMHDSZVELQZHBT-SMDDNHRTSA-N 267.332 3.590 30 20 CHED CC(C)[C@@H](C/N=C/c1ccc(O)c(O)c1O)c1ccccc1 915113087 NJJTWKZOPJMCJG-GDXCHIGESA-N 299.370 3.662 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2nc(C#N)ccc2C)C1 596104522 CIPONVZAMNPPIA-OAHLLOKOSA-N 277.371 3.564 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)C(=O)c1cccc(F)c1 840288876 HENIOXTZHMBPSP-GFCCVEGCSA-N 290.334 3.709 30 20 CHED C[C@H]1CN(CCOc2ccccc2C#N)Cc2ccccc21 918734844 GEWBIKCXJQLKCC-HNNXBMFYSA-N 292.382 3.556 30 20 CHED CC(C)(C)c1noc(CSc2cccc(F)c2C#N)n1 590596237 KGGOPFFZBCTPOA-UHFFFAOYSA-N 291.351 3.670 30 20 CHED CCC[C@H](C)CC(=O)OCc1cn2ccccc2c1C#N 748961821 XNTXOKGUJLCGIL-ZDUSSCGKSA-N 284.359 3.680 30 20 CHED N#Cc1cc(-c2cccc(CO[C@@H]3CCOC3)c2)ccc1F 593954883 STPWTXLKVBRKKW-QGZVFWFLSA-N 297.329 3.670 30 20 CHED Oc1nc2ccccc2cc1/C=N\CC1CCCC1 914701201 BSDILFHKGPIFSI-BOPFTXTBSA-N 254.333 3.550 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 597695177 OWINCEUQQSJIMZ-IAGOWNOFSA-N 298.430 3.654 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 683788268 KTSMBWJEHVFECO-ILXRZTDVSA-N 261.409 3.792 30 20 CHED N#Cc1ccc(CN[C@@H](C2CCC2)C2CC2)cc1Cl 590778614 GJEREWDKBGCAAK-INIZCTEOSA-N 274.795 3.880 30 20 CHED COc1ccc(/C=C/C(=O)c2sccc2C)cc1C#N 741842057 QZYKSZIBZJSPAH-HWKANZROSA-N 283.352 3.833 30 20 CHED Oc1nc2ccccc2cc1/C=N\C[C@H]1CCCC1(F)F 840710502 SNPBIRFSASDVPI-JFPGXGMNSA-N 290.313 3.795 30 20 CHED CC(C)(CCC#N)COC(=O)[C@@H]1CCc2ccccc2C1 845555878 UTMQWOGDFVCCEU-MRXNPFEDSA-N 285.387 3.665 30 20 CHED Cc1cc2cc(NC(=O)N3CCC[C@H](CC#N)C3)ccc2[nH]1 596729504 NSVJFCOOYRUDFF-CYBMUJFWSA-N 296.374 3.634 30 20 CHED CCCNN=C(C)c1csc(-c2ccccc2)n1 841619704 QAHKGNMLULYVCJ-UHFFFAOYSA-N 259.378 3.534 30 20 CHED Fc1cccc(NN=Cc2c[nH]c3ccccc23)c1 920384593 YJZMWFFIXVXLGR-UHFFFAOYSA-N 253.280 3.753 30 20 CHED C[C@H](/N=C\c1cccc(O)c1O)[C@H](C)c1ccccc1 746817026 VDVVWNPEKXCMHP-PWONOCEESA-N 269.344 3.709 30 20 CHED Fc1cc(NN=C[C@H]2CC=CCC2)cc(F)c1F 747642742 UNRNCEHRNUZFIT-VIFPVBQESA-N 254.255 3.858 30 20 CHED COC(=O)c1ccc(/C=C2/CCCC(C)(C)C2=O)cc1F 849245936 CSGMIMOXPCURPO-XFXZXTDPSA-N 290.334 3.775 30 20 CHED CC#CCCCC(=O)N1CCc2ccccc2[C@H]1CC 680998420 GAYUMDNWAJPWMY-QGZVFWFLSA-N 269.388 3.716 30 20 CHED COc1ccccc1C(C)(C)CN[C@H](C)CC(C)(C)C#N 924854610 FOJUEZUQJJXNPR-CQSZACIVSA-N 288.435 3.891 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2cc(C)cc(C)c2o1 682437525 KFDKPTWLGVBDCR-INIZCTEOSA-N 272.348 3.985 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)CCc1nccs1 851140663 ADIBSNVKNZOWEF-QWHCGFSZSA-N 279.405 3.754 30 20 CHED Cc1cc(C)cc(C(=O)OC[C@H](C#N)Cc2ccccc2)c1 750786622 DEANEAWCXIRGPS-KRWDZBQOSA-N 293.366 3.843 30 20 CHED C=CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2COC)C1 853801685 GWCJHIIRDXXOIH-CYBMUJFWSA-N 290.363 3.534 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1ccc(OCC#N)cc1 850444834 ZOBZRXPTGFGFJL-WMZOPIPTSA-N 284.403 3.813 30 20 CHED CC(C)CN(CCC#N)C(=O)CCCSC(C)(C)C 753970948 PJCNYSSMIKFYQU-UHFFFAOYSA-N 284.469 3.697 30 20 CHED Cc1ccccc1C1CC(=NN=c2cc[nH]cc2Cl)C1 756842375 OVVZBTKGNBLERY-UHFFFAOYSA-N 285.778 3.811 30 20 CHED C[C@H]1CCCCN1N=C1CCC[C@H](C(F)(F)F)C1 853380219 QMCRTEMYWUQIJY-QWRGUYRKSA-N 262.319 3.969 30 20 CHED C[C@H](N[C@H](C)c1cccc2c1OCO2)c1cccc(C#N)c1 925184474 CWXYJIYYIGBMQJ-QWHCGFSZSA-N 294.354 3.699 30 20 CHED Clc1ccc(C=NOCc2cc(C3CC3)no2)cc1 853642548 OQMDFHVCAJZXNI-UHFFFAOYSA-N 276.723 3.756 30 20 CHED COC1(C(C)=NNc2c(F)cccc2Cl)CCC1 853334942 WBCBXRGYFOIPAI-UHFFFAOYSA-N 270.735 3.836 30 20 CHED C#CCN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 758423158 IPAVKASSHFDAGS-MRXNPFEDSA-N 273.738 3.791 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc2c(c1)-c1ccccc1C2 753428717 POHKQMJAONOOKB-HNNXBMFYSA-N 277.323 3.717 30 20 CHED Cc1ccc([C@H](C)NCCOc2ccccc2C#N)s1 754671031 XYQALMPDPJUKIE-ZDUSSCGKSA-N 286.400 3.658 30 20 CHED C#CC[C@H](NC(=O)C=C(CC)CC)c1ccccc1 757600929 VABAWNBQRZWZRA-INIZCTEOSA-N 255.361 3.614 30 20 CHED N#Cc1ccc(N[C@H]2CC3(CCC3)Oc3ccccc32)cn1 757789302 PACVSAGFHLQRBG-INIZCTEOSA-N 291.354 3.812 30 20 CHED CCCn1nc(C)c(C=NNc2ccc(C)cc2)c1C 755465039 FBKAYAJCQFUMHP-UHFFFAOYSA-N 270.380 3.664 30 20 CHED CC(C)Oc1ccc(N(C)CCC(C)(C)C#N)cc1 759934386 STWDNWXYLCEZRL-UHFFFAOYSA-N 260.381 3.850 30 20 CHED Cc1ccc(C#N)nc1N1CC[C@@H](c2c(F)cccc2F)C1 853481402 FHFXFJKRBZBYEN-GFCCVEGCSA-N 299.324 3.534 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1coc(CCC)n1 851145454 XEXRKROKYCQRLF-JSGCOSHPSA-N 277.364 3.919 30 20 CHED FC(F)(F)COc1cccc(CON=CC2CC2)c1 853735152 OAEWSAVTIIAEIV-UHFFFAOYSA-N 273.254 3.540 30 20 CHED C=C[C@@H](CC(=O)OCC(C)(C)n1cccn1)c1ccccc1 851307505 LXRYWILNKYBYIG-HNNXBMFYSA-N 298.386 3.521 30 20 CHED CCOc1ccc(C=NOCc2ccc(C#N)cc2)cc1 852202513 GNLOYQCOELAFCC-UHFFFAOYSA-N 280.327 3.508 30 20 CHED C#CC[C@H](NC(=O)CCc1ccccc1C)c1ccccc1 757581641 WIYCPSAMLZCUDY-IBGZPJMESA-N 291.394 3.808 30 20 CHED Cc1cccc2oc(C(=O)NC3(C#N)CCCCC3)cc12 931297710 OIXIFWVDPZSEKP-UHFFFAOYSA-N 282.343 3.698 30 20 CHED N#CC1(COC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CCC1 869598708 UKKFNGLZUHKYNG-WDEREUQCSA-N 289.297 3.592 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(C)cc1 766772536 TUTWYNHMKDRVCM-HJWRWDBZSA-N 251.329 3.849 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cccc(OC)c1Cl 860198803 FZMMGLCOMNYYOQ-UHFFFAOYSA-N 295.766 3.722 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cncc(C)c1 767371372 XAPPCSNKHQAGND-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C[C@@H](NN=Cc1c(F)ccc(F)c1Cl)C(C)(C)C 863115018 XNTDQCIEVYXHOT-MRVPVSSYSA-N 274.742 3.976 30 20 CHED CC(Cc1ccncc1)=NNc1cccc(Cl)c1F 767779384 KRUFTPBXYCSMIJ-UHFFFAOYSA-N 277.730 3.905 30 20 CHED Fc1cc(C=NNc2ccccc2)c2ncccc2c1 760219915 YWCWPDGQLAXGBW-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CC1(C)CCC(C(=O)Oc2ccc(C#N)cc2F)CC1 769740781 WBIYLYDVCQZOSS-UHFFFAOYSA-N 275.323 3.819 30 20 CHED CC(=NNc1ccccc1)c1ccc(C(C)(C)O)cc1 767352652 YEPHOQKCQDADMJ-UHFFFAOYSA-N 268.360 3.750 30 20 CHED C#C[C@H](OC(=O)CC(C)(C)CC(C)=O)c1ccc(C)cc1 860962527 KHPGWVVSQYEODT-INIZCTEOSA-N 286.371 3.608 30 20 CHED CC[C@H](CC(=O)Oc1ccc(C#N)cc1F)C(C)C 769739830 JNWWWWAZDYZOMS-GFCCVEGCSA-N 263.312 3.675 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(c2ccccc2F)CC1 767078488 ATQNEEQLGRCCSX-UHFFFAOYSA-N 287.378 3.581 30 20 CHED N#CCc1ccc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 1115844911 HLVFEBPOMAXEJO-HZPDHXFCSA-N 297.402 3.797 30 20 CHED Cc1ccc(C)c2c1CCCC2=NOCC(F)(F)F 769792445 IHUAPBFMHBIXJX-UHFFFAOYSA-N 271.282 3.923 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)NC(C)(C)C#N 766557624 BXEQLDRIJHDBMR-CLFYSBASSA-N 297.185 3.815 30 20 CHED C#CCCCN1CC=C(c2c(C)[nH]c3ccccc23)CC1 766920733 QMPDPNQQQOJXDT-UHFFFAOYSA-N 278.399 3.979 30 20 CHED CSC(C)(C)CCNc1ccccc1O[C@H](C)C#N 877184892 PBWWUVBCZVEHLX-GFCCVEGCSA-N 278.421 3.921 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1ccc(C#N)s1 1118397695 GLWGKBQZYOEIES-CQSZACIVSA-N 265.378 3.879 30 20 CHED C#CC[C@H](NCc1ccnc(Cl)c1)c1ccccc1 775399709 IWMZJNKCUKTFAI-HNNXBMFYSA-N 270.763 3.589 30 20 CHED CC1CC(C#N)(C(=O)OCc2cccc(Cl)c2Cl)C1 773446477 ZFPIMQXZBLJSJC-UHFFFAOYSA-N 298.169 3.976 30 20 CHED Cc1ccc2c(CCC(=O)OCCC(C)(C)C#N)c[nH]c2c1 776390203 DRXBTTDIDBECBU-UHFFFAOYSA-N 298.386 3.892 30 20 CHED CCC1(C(=O)OCc2cc(C#N)ccc2OC)CCCC1 772281638 XMXVKLNDZAOGES-UHFFFAOYSA-N 287.359 3.580 30 20 CHED C#CCCN[C@H](C)c1ccc(-c2csc(C)n2)cc1 775136305 GEUVARPUTYHCEI-GFCCVEGCSA-N 270.401 3.792 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1F 776726516 KHEYBYJCULTBOE-SREVYHEPSA-N 287.240 3.872 30 20 CHED CCC[C@H](CC)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 873504956 NAMZZCXIEHYGOG-QWHCGFSZSA-N 283.375 3.874 30 20 CHED Cc1ccc(C=NNc2cc(Cl)ccn2)cc1F 777906737 FMNSAPGCZCZADV-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCC[C@H](C(=O)OCc1nccc(C)n1)c1ccccc1 778551267 HSFBFJWWDOATQA-INIZCTEOSA-N 296.370 3.578 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@H]1c1cccc(F)c1 771228397 GZPJBXJOCLOVEN-NSHDSACASA-N 293.754 3.759 30 20 CHED CCOCCON=Cc1c(C)[nH]c2ccc(Cl)cc12 774416379 GPOUCORQQQVVSI-UHFFFAOYSA-N 280.755 3.517 30 20 CHED N#C[C@H](OC(=O)Cc1ccc(Cl)cc1)C1CCCCC1 776359611 LFJZXHRZDIUWTM-HNNXBMFYSA-N 291.778 3.898 30 20 CHED Cc1cn2c(C=NOC3CCCCC3)c(C)nc2s1 777458567 GNYLNUXFOWWRBJ-UHFFFAOYSA-N 277.393 3.696 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)c2ccoc2)cc1 774569521 GCJVYSWCBKOMAZ-UHFFFAOYSA-N 299.326 3.541 30 20 CHED C=CC[C@H](NC1CC(OC(C)(C)C)C1)c1ccncc1 779063480 BMYBGBMIQJZHQA-GPANFISMSA-N 274.408 3.635 30 20 CHED CCCCCCCN[C@H](CO)c1c(F)cccc1F 782062809 VTAWZFMZDSVZSY-CQSZACIVSA-N 271.351 3.558 30 20 CHED c1ccc2c(NN=C3CCC4(CCCO4)CC3)nncc2c1 788014446 OCKQCJNWKGOXNA-UHFFFAOYSA-N 296.374 3.521 30 20 CHED C=CCOc1ccc(COC(=O)C2(SC)CCC2)cc1 784812175 PZFGQGVFJBFZID-UHFFFAOYSA-N 292.400 3.580 30 20 CHED C[C@H]1CN(C(=O)Nc2cc(C#N)ccc2F)CC(C)(C)C1 888363936 WIWTYNOLKKQAMO-LLVKDONJSA-N 289.354 3.597 30 20 CHED Cc1ccc(NC(=S)N2CCC(CC#N)CC2)cc1C 781545608 WJQAHSGMRKTCKP-UHFFFAOYSA-N 287.432 3.626 30 20 CHED CCS[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)C(C)C 785823675 ILWDVESWFREEMA-UONOGXRCSA-N 283.437 3.780 30 20 CHED C=C(C)CCC(=O)Oc1ccc(N2CCCC2)cc1 1121073860 GNCMLMYHQJYQBE-UHFFFAOYSA-N 259.349 3.549 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 782723218 YQIUBUCCAWAQPW-XHSDSOJGSA-N 261.409 3.607 30 20 CHED C#CCC1(C(=O)N(C)c2cccc(C)c2)CCCCC1 788200549 OAXPDRQDTGEWBO-UHFFFAOYSA-N 269.388 3.932 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1ccsc1C#N 890617913 VHKMHECPCDNZST-AWEZNQCLSA-N 282.368 3.727 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1O 787028177 CAYAGENUPOTRDF-PXAZEXFGSA-N 278.355 3.602 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc([S@](C)(=O)=NC)c1 895736082 PLQWEOUPWRBOST-JMERFSKESA-N 280.437 3.786 30 20 CHED Cc1c(Cl)cnc(N[C@@H](c2ccccn2)C2CC2)c1C#N 895793308 KSRFQJUTCYFVJA-OAHLLOKOSA-N 298.777 3.873 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2=CCCC2)s1 797572282 XASIRXQOUYYYLL-NSHDSACASA-N 274.389 3.727 30 20 CHED Cc1oc2ccccc2c1/C=C1/CCc2nn(C)cc2C1=O 794964883 KCTNLXATLMCHPQ-XFXZXTDPSA-N 292.338 3.687 30 20 CHED CCCCCCCC(=O)N(C)Cc1cnc(C(C)C)nc1 799398965 XLGXGDVFNFANOE-UHFFFAOYSA-N 291.439 3.919 30 20 CHED C=CCC[C@H](CC)NC[C@H](O)c1ccc(CC)cc1 797024553 BILNUQTYXIQBEV-IRXDYDNUSA-N 261.409 3.617 30 20 CHED CC(C)(Nc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 1135642941 NORVBWKJGSSDLK-UHFFFAOYSA-N 293.370 3.582 30 20 CHED CO[C@@H](C(C)=NNc1cccc(Cl)n1)c1ccccc1 793174053 HHIHHMQIQDCFGI-HNNXBMFYSA-N 289.766 3.911 30 20 CHED CCc1ccc(C(C)=NNc2ncccc2C)cc1 790190361 JNRDGSJSPQCZQH-UHFFFAOYSA-N 253.349 3.789 30 20 CHED CN(C)c1ccccc1CNN=Cc1ccc(Cl)cc1 794955752 BOXMWWQWJWQMFX-UHFFFAOYSA-N 287.794 3.530 30 20 CHED FC(F)c1ccc(C=NNc2nccnc2Cl)cc1 794512183 PHSLYSJHBDEMEX-UHFFFAOYSA-N 282.681 3.514 30 20 CHED C[C@H]1CC(NC(=O)Nc2ccc(C#N)c(F)c2)C[C@H](C)C1 1205986175 CAHJIJFNGGXOCS-GHMZBOCLSA-N 289.354 3.644 30 20 CHED CC/C=C/CCOC(=O)C[C@H](CC#N)c1ccccc1 795981203 MIPRXVFDFSKWNY-CWDCEQMOSA-N 271.360 3.973 30 20 CHED N#CC1(COC(=O)c2ccccc2NC2CCCCC2)CC1 796147282 QPFUCNMDVJHVPQ-UHFFFAOYSA-N 298.386 3.892 30 20 CHED C[C@@H](OC(=O)c1ncccc1Cl)c1ccc(C#N)cc1 796588015 UAMBGHRDVMJTIR-SNVBAGLBSA-N 286.718 3.525 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])oc1C 799895490 CBNDFWFXHFAGKU-BQYQJAHWSA-N 271.272 3.701 30 20 CHED FC(F)(F)CCNN=C(CC1CC1)c1ccccc1 794551571 CUFABKVYQFAFEW-UHFFFAOYSA-N 270.298 3.733 30 20 CHED C=C(C)CNc1ccc(OCC(F)(F)F)c(F)c1 799969333 OVMURZKVWKYSEH-UHFFFAOYSA-N 263.234 3.755 30 20 CHED CCn1cc(C=NNc2cccc(F)n2)c2ccccc21 795006101 KGIYVCXRFMDAQV-UHFFFAOYSA-N 282.322 3.641 30 20 CHED COC(=O)c1ccccc1NN=C[C@H](C)CC(C)C 799112790 ZXPYLDGRQPRELF-GFCCVEGCSA-N 262.353 3.553 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cc(Cl)ccc1Cl 797268304 TTXPLYIYHGFMQH-CYBMUJFWSA-N 286.158 3.976 30 20 CHED CC#CCCCC(=O)OCc1ccc(Cl)cc1OC 795594401 MVGCTYLGFDKEOA-UHFFFAOYSA-N 280.751 3.585 30 20 CHED CCOc1cc(/C=C\C(=O)c2cc(C)c(C)o2)ccc1O 799897320 NYSRGVZWRSDUGV-VURMDHGXSA-N 286.327 3.897 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(C(C)(C)C#N)cc1 796038779 HRCXDWISORJBSN-UHFFFAOYSA-N 284.359 3.584 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2cc3ccccc3o2)n1 1307095445 XLEOVAAQJDDDEN-JTQLQIEISA-N 278.315 3.576 30 20 CHED Cc1cc(C)c2c(c1)CN(Cc1ccc(F)c(C#N)c1)CC2 1307694637 AYECAMGCDWWHHK-UHFFFAOYSA-N 294.373 3.873 30 20 CHED C[C@@H](CCc1ccccc1)NCc1ccc(C#N)s1 135665914 KLNVLFANBVXTNP-ZDUSSCGKSA-N 270.401 3.731 30 20 CHED CN(C)c1ccc(CCNc2cc(Cl)ccc2C#N)cc1 1318607366 YLOQUVAXTYGDDX-UHFFFAOYSA-N 299.805 3.932 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ccc(OCC#N)cc1 1321091162 VTTRJFNOYOCMQH-INIZCTEOSA-N 274.364 3.744 30 20 CHED C[C@@H](OC(=O)c1ncc(Cl)s1)c1ccc(C#N)cc1 1322476041 OXOMTNJOOGWYBG-MRVPVSSYSA-N 292.747 3.586 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)c1cccc(C#N)c1C 1321259270 NPFAETUQBUTFRB-SFHVURJKSA-N 290.366 3.592 30 20 CHED CCCN(Cc1ccc(OC)cc1)c1cccc(CC#N)n1 1328816210 XWACUBRXQYDEBH-UHFFFAOYSA-N 295.386 3.573 30 20 CHED CC(Cc1ccccc1Cl)=NNc1nc(C)cc(C)n1 1252097164 HRCOOVKVRCZBOD-UHFFFAOYSA-N 288.782 3.777 30 20 CHED CC(=NNc1ccn(C)n1)[C@H](C)c1nc2ccccc2s1 1326241956 OHANLCATDQTPAI-JTQLQIEISA-N 299.403 3.621 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccc(F)c(Cl)c1 1335915296 VZNIHIMKFXRYAZ-UHFFFAOYSA-N 269.747 3.794 30 20 CHED Cc1cccnc1CN[C@H](CCC#N)c1ccccc1 1337613578 YUGZXRVIIWXTOV-MRXNPFEDSA-N 265.360 3.525 30 20 CHED CC(=NOC(C)(C)C)c1ccc(NC(=O)NC2CC2)cc1 1336226934 DODJNVRIRSQPSP-UHFFFAOYSA-N 289.379 3.510 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2CCC[C@@H](C)C2)c1 741559127 QQAUXDQAJQWRSS-GDBMZVCRSA-N 269.388 3.847 30 20 CHED C=CC[C@H](N[C@@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)O 1334016606 PNUWVFYADJOZOX-MCIONIFRSA-N 267.413 3.600 30 20 CHED C=C(C)[C@@H](Cc1nnc(-c2ccccc2Cl)o1)OCC 1333055311 BQOMNUATPLQCDW-CYBMUJFWSA-N 292.766 3.914 30 20 CHED C#CC[C@H](CC)c1nnc(N(C)[C@H](C)c2ccccc2)n1C 1339445618 KGZKVZRJOJKVOV-CABCVRRESA-N 296.418 3.529 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2c(c1)CCC2 1339346837 SYGBBSCONWEZGW-FQEVSTJZSA-N 288.394 3.824 30 20 CHED C=C1CCC(C(=O)N(C)Cc2cc3ccccc3[nH]2)CC1 1262083844 XTNUVDLWZCXOIV-UHFFFAOYSA-N 282.387 3.873 30 20 CHED CC(C)(C)ON=C(C[C@@H]1CCOC1)c1ccc(F)cc1 1347528734 MYTBQDAXEGBUQH-LBPRGKRZSA-N 279.355 3.772 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc(C#N)c1C 1435035443 MTPDUIIWKBYAEW-YOEHRIQHSA-N 284.403 3.955 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2F)cc1 1358099340 UNVKJVCLLQDJIH-LBPRGKRZSA-N 296.345 3.751 30 20 CHED C=CCC(CC=C)C(=O)OCCC(F)(F)C(F)(F)F 1519989270 FXCLYYHIWBBXNI-UHFFFAOYSA-N 286.240 3.886 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(-n3cccc3)c2)cs1 1526035375 JKCMCWVKAMTXIM-UHFFFAOYSA-N 293.351 3.663 30 20 CHED CC(C)(NC(=O)c1ccc(C#N)cc1F)C1CCCCC1 1520568886 CQMHJBRQBBBLTA-UHFFFAOYSA-N 288.366 3.786 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc(N2CCCC2)n1CC 1521138441 IWHICAFPMYZESZ-MRXNPFEDSA-N 296.418 3.606 30 20 CHED Cc1cc(C)cc(CC(=O)O[C@@H](CC#N)c2ccco2)c1 1526992414 MXSLTTXPFVKQJM-INIZCTEOSA-N 283.327 3.637 30 20 CHED N#CC1(c2ccc(COC(=O)Cc3ccccc3)cc2)CC1 1526990503 RUDVDSYBLGKRMC-UHFFFAOYSA-N 291.350 3.528 30 20 CHED CC[C@@H](CC(C)C)C(=O)N1CCCc2cc(C#N)ccc21 1522776572 AADQINVSRUMZSG-HNNXBMFYSA-N 284.403 3.910 30 20 CHED CC(C)(CC=NOc1ccccc1C(F)(F)F)C(=O)O 1609674002 FLZRDAPTEFLMQP-UHFFFAOYSA-N 289.253 3.571 30 20 CHED CC(C)C1CCC(CNCC(C)(C)CC#N)CC1 1461566216 IBRQULKYAMQYIK-UHFFFAOYSA-N 250.430 3.978 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccnc(C#N)c1 1472883723 FMWAHPZZGKSQNU-KDOFPFPSSA-N 277.371 3.726 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 1472766665 XVFSYOJTMDSWHO-SECBINFHSA-N 283.828 3.931 30 20 CHED CC[C@@H]1CCC[C@H](Nc2c(C#N)cccc2C#N)C1 1472701890 IELKYZXHIWWRPR-DOMZBBRYSA-N 253.349 3.811 30 20 CHED C=C(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 1548618794 ODJIRLIJZGPRPT-CQSZACIVSA-N 263.768 3.874 30 20 CHED CC(C)C(CNc1ncc(C#N)cc1Cl)C(C)C 1612272621 QGIDWULEIMGTTI-UHFFFAOYSA-N 265.788 3.947 30 20 CHED Cc1nc(NCc2cccc(-c3cnco3)c2)ccc1C#N 1559227632 XPGOROYXDVPNAF-UHFFFAOYSA-N 290.326 3.529 30 20 CHED Cc1cc(N2CCc3ccc(C(C)C)cc3C2)ncc1C#N 1559230849 RTVPCXIGDPJMGV-UHFFFAOYSA-N 291.398 3.948 30 20 CHED CC(C)CCNc1nccc(Oc2cccc(C#N)c2)n1 1639186433 PATFOLLXJFYZDH-UHFFFAOYSA-N 282.347 3.599 30 20 CHED N#Cc1cc(Sc2nnc(-c3ccccc3)s2)ccn1 1639430397 SWJRSSLAOXUWFS-UHFFFAOYSA-N 296.380 3.623 30 20 CHED CCN(Cc1ccccc1Cl)c1nccc(C)c1C#N 1639268899 YQTMMSKYZYIZGQ-UHFFFAOYSA-N 285.778 3.942 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1ccc(F)c(C#N)c1)CC2 1562318136 LNTPMNWUFCIENF-UHFFFAOYSA-N 295.317 3.600 30 20 CHED C[C@@H](CNc1nccc(Oc2cccc(C#N)c2)n1)C1CC1 1642137889 VLPNQONLZUWECN-LBPRGKRZSA-N 294.358 3.599 30 20 CHED C[C@H]1C[C@@H](C)CN(CCN(C)[C@H](C)c2cccc(C#N)c2)C1 1646331707 XBDWKWCWOHZCLQ-IXDOHACOSA-N 299.462 3.529 30 20 CHED C=CC[C@H]1CC[C@H](Nc2cc(C)cc(C(=O)O)c2)C1 1588770999 LEIJYCAPSNMCEL-JSGCOSHPSA-N 259.349 3.850 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cc(C(=O)O)cs1 1588787559 WFKSYDBIVQQJKJ-WDEREUQCSA-N 267.394 3.842 30 20 CHED C=CCCCCCCCN[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@H]21 1588798825 SADSDHXRMNKULW-CAOSSQGBSA-N 279.424 3.602 30 20 CHED CC[C@@](C)(CN1CCC(c2ccc(C#N)cc2)CC1)OC 1658989645 AMDFSSLXAPVJDK-SFHVURJKSA-N 286.419 3.553 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2csc(C#N)c2)C1 1583278405 PJKXZZVZVLIIRC-LLVKDONJSA-N 263.362 3.745 30 20 CHED C=C(C)CCC(=O)Nc1sc2c(c1C(=O)O)CCCC2 1588442488 RSGQQHVTROBPPW-UHFFFAOYSA-N 293.388 3.620 30 20 CHED CCCC[C@@H](C)[C@@H](C)NCCc1ccc(C#N)cc1 1660257984 AREFRNHPTXYILP-HUUCEWRRSA-N 258.409 3.905 30 20 CHED COc1ccc(NC(=O)C[C@@H](C)CC(C)(C)C)cc1C#N 1597525168 GUMKXOXLJVVMER-GFCCVEGCSA-N 288.391 3.968 30 20 CHED CCCC[C@@H](CCC)CNC(=O)NCC(C)(C)CC#N 1685481986 LYAOEZQAYKKSLT-CQSZACIVSA-N 281.444 3.832 30 20 CHED CC(C)C[C@H]1CCC1=NNc1ccc(C(=O)O)cc1 1776013970 AYQWBROYLPVWDJ-GFCCVEGCSA-N 260.337 3.609 30 20 CHED CC(C)CCOc1cccc(NC(=O)N[C@H](C)CC#N)c1 158469971 QTJPXOPIXHFRGK-CYBMUJFWSA-N 289.379 3.535 30 20 CHED Cc1ccccc1NC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 160087471 MQIWAPUXAHLBJX-GFCCVEGCSA-N 299.399 3.821 30 20 CHED CCN(Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCC1 153670050 DXWKDZFRSPSDOT-AWEZNQCLSA-N 272.392 3.742 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(N(C)C)c(Cl)c1 153886809 REGWIMIXLUFKFE-UHFFFAOYSA-N 295.814 3.836 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1cc2ccccc2o1 159314947 CUWQBZNQZCVUDW-ZDUSSCGKSA-N 284.359 3.597 30 20 CHED CN(CCCCC(C)(C)C#N)CCC(F)(F)F 234271735 RQRWGBHLXBUPKH-UHFFFAOYSA-N 250.308 3.591 30 20 CHED CN(Cc1ccccc1C#N)[C@H]1CCc2ccccc21 29484071 MFFRRBYUUSIFOK-SFHVURJKSA-N 262.356 3.678 30 20 CHED C=CCOc1ccccc1CNCc1ccccc1F 34991957 USFOGSROMMWVKB-UHFFFAOYSA-N 271.335 3.680 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1cc(F)ccc1F 36921860 GOBIPAXXGAMGPV-NSHDSACASA-N 272.298 3.687 30 20 CHED C[C@H](CC(=O)Nc1ccccc1C#N)CC(C)(C)C 37300757 ISFNDVVIEXHBQH-GFCCVEGCSA-N 258.365 3.959 30 20 CHED N#Cc1ccc(CNC2CC(c3ccccc3)C2)cc1 37748400 MQPBWRIVJDPPAL-UHFFFAOYSA-N 262.356 3.594 30 20 CHED N#CCOc1ccc(NCc2ccc(F)c(Cl)c2)cc1 163766973 DHRURVXXSHWIAN-UHFFFAOYSA-N 290.725 3.994 30 20 CHED CCCC[C@@H](CC)CNC(=O)Nc1ccc(C#N)cc1 48438708 ISGNJGJGBFTIOF-CYBMUJFWSA-N 273.380 3.896 30 20 CHED CC[C@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 404152581 MWCZCMFPLHRWCF-WFASDCNBSA-N 260.356 3.756 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)C2(C#N)CCC2)CC1 408304528 YWBDRUXPBVDTJK-UONOGXRCSA-N 276.424 3.791 30 20 CHED C[C@@H](NCc1ccc(Cl)o1)c1cccc(C#N)c1 610344853 JHZPGCKLFIUDKV-SNVBAGLBSA-N 260.724 3.655 30 20 CHED C=C(CN[C@H](C)c1cnccc1C)c1ccccc1 357777003 GNUUNTLOSZHDIT-OAHLLOKOSA-N 252.361 3.754 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(C#N)cc2)C1 596478078 FMKQDSRZXGRSME-CHWSQXEVSA-N 271.364 3.601 30 20 CHED Cc1cc(OCC2(CC#N)CC2)c(C)c(C)c1C#N 387993828 MHJDAXNXWYRIRW-UHFFFAOYSA-N 254.333 3.556 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1 6338113 WAUNLZDTSDIAKQ-CMDGGOBGSA-N 268.312 3.600 30 20 CHED C=CCNC(=O)c1sccc1-c1ccc(C)cc1 8271771 IFBDSVQGTSIFSL-UHFFFAOYSA-N 257.358 3.639 30 20 CHED Cc1cccc(Nc2nnc(SCCC#N)s2)c1C 10211244 LNOMVFZLRCBJKJ-UHFFFAOYSA-N 290.417 3.904 30 20 CHED N#Cc1ccc(CCC(=O)Nc2ccc3c(c2)CCC3)cc1 10442846 JMHSWRKABYEXIU-UHFFFAOYSA-N 290.366 3.618 30 20 CHED CSc1ccsc1C(=O)[C@H](C#N)c1nc(C)cs1 107407861 HRDXDMFUOCPFNE-QMMMGPOBSA-N 294.426 3.725 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1ccc(C#N)cc1F 226127151 AYOWJMUCTQUVFP-KBPBESRZSA-N 264.369 3.783 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(C(C)(C)C)cc1 57568027 SZKMLIWIWLVGKH-HNNXBMFYSA-N 272.392 3.652 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)n1cnc2ccccc21 172466007 NEYOBCAEGDETTQ-HNNXBMFYSA-N 299.418 3.802 30 20 CHED CC(=O)Nc1ccccc1OCC#Cc1ccc(Cl)cc1 176283589 CLDAWCRVZPEMDD-UHFFFAOYSA-N 299.757 3.729 30 20 CHED C=CCOC(=O)c1csc(-c2ccc(Cl)s2)n1 64206603 HCRJNSHAJUOKOM-UHFFFAOYSA-N 285.777 3.868 30 20 CHED C[C@H](CC(=O)NCc1cccc(C#N)c1)c1cccc(F)c1 115987861 XSZRSEGLLXCLLB-CYBMUJFWSA-N 296.345 3.507 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@@H](C)CC(C)C 303536897 SVPKJBAJRDKLKS-HNNXBMFYSA-N 289.419 3.940 30 20 CHED CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1cc(C#N)cs1 177703536 KXISOUONRAABTN-HIFRSBDPSA-N 292.448 3.551 30 20 CHED N#Cc1ccccc1NCc1ccc(F)cc1Cl 20051306 LHYRIUNYEDBEQV-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C2CC2)oc2c(C)cccc12 176065186 PEJLEOWRBJPCFJ-ZDUSSCGKSA-N 269.300 3.509 30 20 CHED N#Cc1ccc(CN(Cc2ccccc2)CC(F)F)s1 179991514 YJEOFCILLAKFHQ-UHFFFAOYSA-N 292.354 3.887 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cc(C)oc1C 67730110 ZZKOGKJGAWVCFM-LBPRGKRZSA-N 264.369 3.565 30 20 CHED N#Cc1cccc(Cl)c1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 301680090 URDMUKOPLGSERA-BNOWGMLFSA-N 276.767 3.581 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1ccc(C#N)s1 179490924 DZKXTLGAIQVOHL-GFCCVEGCSA-N 268.385 3.739 30 20 CHED CC/C=C(\C)C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 1341183015 NVMHJGQSMBLJCH-DPQIITEBSA-N 294.354 3.724 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1cccs1 178548417 GMDIYRYZJLYTKO-NSHDSACASA-N 285.372 3.811 30 20 CHED C=CCC[C@@H](Nc1cc(C)nc2ncnn12)c1ccccc1 301755664 DCVKKUUSOZRNCU-OAHLLOKOSA-N 293.374 3.552 30 20 CHED COc1ccc2cc(C(=O)O[C@H]3CC[C@@H](C#N)C3)ccc2c1 1263379374 KGSAWMOIMHFVHW-PXAZEXFGSA-N 295.338 3.697 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1)c1ccccn1 175617770 NAAWTPLHAKKDFO-UHFFFAOYSA-N 280.371 3.971 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)CCC[C@H]1C 175745397 LVXNVXOZQAHCGT-TZMCWYRMSA-N 285.391 3.909 30 20 CHED Cc1ccc(-c2noc(CCc3ccc(C#N)cc3)n2)cc1 172056314 ANHBCQWHIXMYSE-UHFFFAOYSA-N 289.338 3.702 30 20 CHED COc1ccc(CN2CC[C@H](c3ccccc3)C2)cc1C#N 125021670 RPXIVNNQHBZNJC-KRWDZBQOSA-N 292.382 3.556 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N(CC)c1ccccc1 177864187 SHXPSVLGSAJBQY-ZDUSSCGKSA-N 263.406 3.737 30 20 CHED C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N(C)CCCC 1340316341 OWRAAEJCSQFSGU-LBPRGKRZSA-N 298.381 3.603 30 20 CHED CC[C@@H](C#N)Sc1nc2ccccc2n1C(F)F 127367379 AXDRKLLWKVRROH-QMMMGPOBSA-N 267.304 3.826 30 20 CHED N#Cc1cccc(Cl)c1NCCC[C@@H]1CCCCO1 302220111 LWMUEEWUFYWPJP-ZDUSSCGKSA-N 278.783 3.973 30 20 CHED N#Cc1c(NC(=O)c2ccc(Cl)o2)sc2c1CCC2 60526449 QOBOXPKPJHGFCX-UHFFFAOYSA-N 292.747 3.607 30 20 CHED N#Cc1ccc(Oc2cccc(Nc3ncccn3)c2)cc1 301187281 VSNXPQUBUAPHND-UHFFFAOYSA-N 288.310 3.884 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@H]2CCCSC2)c1 126332405 YBSKBPZOISQGGI-JTQLQIEISA-N 286.322 3.885 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 301395451 FGAMKVWOMJIYDP-JTQLQIEISA-N 271.751 3.606 30 20 CHED CN(c1ccc(C#N)cc1F)[C@@H]1CCc2ccccc2C1 303556734 KPEZWTLVJKQBDZ-MRXNPFEDSA-N 280.346 3.691 30 20 CHED COc1cc(C(C)=O)ccc1SCCC(C)(C)C#N 123260973 HVVLLIBZHDQNPQ-UHFFFAOYSA-N 277.389 3.930 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)CC(C)C)c1ccccc1 188763656 PMHIRNCZKYPSNQ-HOCLYGCPSA-N 259.393 3.897 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccccc1Cl 187743909 YYFWEYXBZCFKOZ-CQSZACIVSA-N 267.756 3.507 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCCc2ccc(C)cc21 183412287 UTCLMLYVQJBSQN-MRXNPFEDSA-N 272.392 3.590 30 20 CHED COc1ccsc1C(=O)/C=C/C1=Cc2ccccc2OC1 184768366 WTJFAMIIHKOAMC-VOTSOKGWSA-N 298.363 3.972 30 20 CHED C=CCC[C@H](C(=O)NCc1ncccc1C)c1ccccc1 189130058 AFMDKIPGMRLQHA-KRWDZBQOSA-N 294.398 3.756 30 20 CHED Cc1ccccc1S[C@@H](C)C(=O)Nc1cccc(C#N)c1 37665746 GSVINMBQFSMBCL-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED C[C@H]1C[C@@]1(NCCCSCC#N)c1ccc(Cl)cc1 503428728 HVNQQJZOQZRLTM-WFASDCNBSA-N 294.851 3.812 30 20 CHED N#Cc1ccc(F)c(CNc2ccccc2OC(F)F)c1 37326362 JXZNRUIAJTVKES-UHFFFAOYSA-N 292.260 3.911 30 20 CHED N#CCCN(Cc1cscc1C(F)(F)F)CC1CC1 356198966 XVIXYECCCXXJPW-UHFFFAOYSA-N 288.338 3.893 30 20 CHED CSc1ccccc1[C@H](C)NCC(C)(C)CC#N 414166344 NJUDNBHIPVCZBO-LBPRGKRZSA-N 262.422 3.999 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)C1CC(C)(C)C1 412813450 OZWBXGUONDSJHN-CYBMUJFWSA-N 284.403 3.699 30 20 CHED C=C(C)CN(C)Cc1cc(Cl)ccc1OC(F)F 481284330 LKBOXAYNXBFEDU-UHFFFAOYSA-N 275.726 3.949 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N(C)[C@H](C)C#N 410885964 YEECLRXLKPYQLH-UKRRQHHQSA-N 264.413 3.744 30 20 CHED CC(=O)c1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)nc1 419013687 IHVBCQUTEYMCOF-QGZVFWFLSA-N 291.354 3.645 30 20 CHED N#CC1(C(=O)N2CCCC3(CCCCC3)C2)CCCC1 365253880 RKNNQFAATUDRFV-UHFFFAOYSA-N 274.408 3.643 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(CCC#N)C(C)(C)CC 189923757 SBOJYOKUORMROR-QWHCGFSZSA-N 252.402 3.599 30 20 CHED CCN(CCC#N)Cc1ccc(OC)c2ccccc12 127679690 BUWBZANWOXTGJZ-UHFFFAOYSA-N 268.360 3.584 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)COc1cccc2ccccc12 184914210 RKRUJKREICCNNK-INIZCTEOSA-N 297.354 3.700 30 20 CHED N#Cc1ccc(CNc2cccc(-c3cnco3)c2)cc1 37779556 HLXDETRBMRRDBB-UHFFFAOYSA-N 275.311 3.825 30 20 CHED CCCCCN(C(=O)Cc1c(F)cccc1C#N)C(C)C 507769954 KQXDQABICMWFDW-UHFFFAOYSA-N 290.382 3.667 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2NCC2(C#N)CCC2)cc1 418137955 FPFFYTUZYWODAQ-IAGOWNOFSA-N 268.404 3.915 30 20 CHED C#CCCCCC(=O)N1CCC(CCC(C)C)CC1 120003682 UDMDBQZUNMWTRW-UHFFFAOYSA-N 263.425 3.855 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(-c2nnco2)ccc1C 123902472 WGZBNZGQAGHUMJ-UHFFFAOYSA-N 297.358 3.752 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1Cl 77666684 BSJQPJACXTWSJB-VHSXEESVSA-N 284.762 3.804 30 20 CHED C=C(C)CCc1noc(CCc2ccc(F)cc2F)n1 508685368 FZZDRSVHCNGWCD-UHFFFAOYSA-N 278.302 3.642 30 20 CHED C#CC[C@H](OC(=O)c1csc(-c2ccccc2)n1)C1CC1 79211371 ATISEHFRJXIKOA-HNNXBMFYSA-N 297.379 3.769 30 20 CHED CCc1cccc(C)c1NCCOc1ccc(C#N)cc1 506078058 FAHZZZNFUFDUAD-UHFFFAOYSA-N 280.371 3.920 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(C)ccc1O)c1ccccc1 187268657 GJNYZVOMGLYTRV-OAHLLOKOSA-N 281.355 3.999 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 504573170 RNTOQOSFJANPCB-BZUAXINKSA-N 261.409 3.794 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)CC1 443157779 LLCBUNJCYGRZJM-OCCSQVGLSA-N 271.364 3.649 30 20 CHED C=CCC(C)(C)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 501727563 FDEFFBDLYRZTHQ-YJBOKZPZSA-N 271.404 3.899 30 20 CHED Cc1cccc(NC(=O)[C@@H](SCCC#N)C(C)C)c1C 413016578 WISVZKWPROBZDY-HNNXBMFYSA-N 290.432 3.913 30 20 CHED COc1ccc(OC)c(CN(CCCC#N)C(C)(C)C)c1 132231943 ZSVVOHLYVSNJBO-UHFFFAOYSA-N 290.407 3.608 30 20 CHED COc1ccccc1/C=C\C(=O)c1cc(F)cc(F)c1 215683107 XQNJTSBCKJHQJT-SREVYHEPSA-N 274.266 3.870 30 20 CHED C=CCC1(C(=O)N2CCOC3(CCCCCC3)C2)CCC1 189465555 ZSNDQKAVXUMYLC-UHFFFAOYSA-N 291.435 3.685 30 20 CHED CCCN(CC#N)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 130808589 IPEBGYIMJMIMLY-UHFFFAOYSA-N 299.330 3.590 30 20 CHED C#C[C@H](C)NC(=O)c1cc(C)ccc1SC1CCCC1 185365761 HXWBEDISTZKTJZ-ZDUSSCGKSA-N 287.428 3.781 30 20 CHED C=C(C)CCN[C@@H](c1ccc2c(c1)OCCO2)C(C)C 508981169 XSPIMQFNYMNOHG-QGZVFWFLSA-N 275.392 3.711 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cnc(C(C)(C)C)s1 130776578 LDUAGHBPHUCQCP-UHFFFAOYSA-N 299.443 3.944 30 20 CHED CC1(C)CC(C(O)=Nc2ncn(C3CCCCC3)n2)C1 329082965 DZYQGZXQYILZNX-UHFFFAOYSA-N 276.384 3.808 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1[C@H]2CCC[C@H]1CC2 413834473 MFCMTJDACRKLFS-BZSNNMDCSA-N 298.430 3.900 30 20 CHED CC(C)[C@@H](CNC(=O)c1cc(C#N)cs1)c1ccccc1 84077944 IAAPTCSZOUQFNH-OAHLLOKOSA-N 298.411 3.789 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(OC)cc1 42241095 LSXFIPPEMZCEQM-ZDUSSCGKSA-N 293.432 3.600 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1ncc(C#N)cc1F 413231759 MHFMPDRZOUAIOE-GFCCVEGCSA-N 269.323 3.882 30 20 CHED CC[C@H](C)CN(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419656217 ZAUKTJDBPVVLLQ-SUMWQHHRSA-N 299.418 3.623 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)Cc2cccs2)cc1 49904264 KNKAXSPAPUMBPJ-INIZCTEOSA-N 298.411 3.576 30 20 CHED CN(CCC1(C#N)CCCCC1)[C@@H](CO)CC(C)(C)C 411801006 YHAFTLYGEJCPRD-OAHLLOKOSA-N 280.456 3.579 30 20 CHED O/C(=N/C[C@H]1CCCS1)Nc1nc2ccccc2s1 329850852 ZYKVQMIMODNCPL-SECBINFHSA-N 293.417 3.518 30 20 CHED C[C@H](/N=C(/O)c1conc1C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 329156322 VQMRVXXDVATSFV-XRRVDJEJSA-N 274.364 3.681 30 20 CHED C=C(Cl)CNC(=O)[C@@H](c1ccccc1)[C@H](C)CC 134810697 FMMUOIOLPYZWKX-BXUZGUMPSA-N 265.784 3.685 30 20 CHED CC1(C/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CCCC1 329887909 YBWRFAFTLBHEET-ZDUSSCGKSA-N 274.364 3.543 30 20 CHED CC(C)(C/N=C(/O)[C@H]1CCCC(O)=N1)C1CCCC1 328900701 ZWCFSBLGTKKJMI-GFCCVEGCSA-N 266.385 3.668 30 20 CHED N#CC1(C(=O)Nc2cccc3cnccc23)CCCCC1 44385136 QUMVCFLPNXXXEO-UHFFFAOYSA-N 279.343 3.647 30 20 CHED C#CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 192144497 PZYCOVCTJDDYGP-SJLPKXTDSA-N 283.415 3.832 30 20 CHED CCC[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCC1 334034397 MUOHQTHLXWFVGW-YJBOKZPZSA-N 288.435 3.936 30 20 CHED CC(C)c1cccc(NC(=O)c2ncc(C#N)cc2Cl)c1 427915374 JRSAPYFJCCNUPG-UHFFFAOYSA-N 299.761 3.982 30 20 CHED N#Cc1cnc(N2CC[C@H]2c2ccccc2)c(Cl)c1 336356013 XIUOQISXZNUURZ-AWEZNQCLSA-N 269.735 3.558 30 20 CHED CC[C@@]1(C)CCCN(C(=O)c2cccc(C#N)c2C)C1 338132065 QNMYCZGUXLCIDX-KRWDZBQOSA-N 270.376 3.519 30 20 CHED CC(C)c1ncc(N=C(O)c2scnc2C2CC2)cn1 330041612 DFDYFUDPGIUVPY-UHFFFAOYSA-N 288.376 3.570 30 20 CHED CC(C)c1cc(N(C)[C@@H](C)c2cccc(C#N)c2)ncn1 425285504 SJQKTWWYSFETJN-ZDUSSCGKSA-N 280.375 3.669 30 20 CHED CC(C)C[C@@H](CCO)CNc1ccc2cc(C#N)ccc2n1 92918568 MNSDZWARLZBQLL-OAHLLOKOSA-N 297.402 3.563 30 20 CHED Cc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 237578283 DSDATUCTTKQVKU-OAHLLOKOSA-N 280.371 3.576 30 20 CHED CCCc1nc(/C(O)=N/[C@H]2CC[C@H](C)CC2)co1 330405076 DUCVBGFGFODWFR-XYPYZODXSA-N 250.342 3.510 30 20 CHED Cc1nc[nH]c1C/C(O)=N/[C@H]1CCCCC12CCCC2 330266550 AFNPTGILHQHBMV-AWEZNQCLSA-N 275.396 3.720 30 20 CHED CC1(C#N)CCC(NC2CCC(F)(F)CC2)CC1 336206903 MORYADYSSIURKD-UHFFFAOYSA-N 256.340 3.626 30 20 CHED C=CCN(Cc1cccc(C#N)c1)CC1CCCC1 519872299 ZQLYJQZEHYSECE-UHFFFAOYSA-N 254.377 3.736 30 20 CHED Cc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)ccc1C#N 425367327 SKTITJNKTPTZJK-HNNXBMFYSA-N 289.382 3.931 30 20 CHED C=C1CCN(C(=O)c2cc(F)c3ccccc3c2)CC1 339981393 SJDNILYNWONLNY-UHFFFAOYSA-N 269.319 3.771 30 20 CHED C=CCCCCCN(C)Cc1ccc([S@@](C)=O)cc1 93498074 QOWLMNCKRYDNAS-IBGZPJMESA-N 279.449 3.602 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCc2ccncc2)c1 337242017 GTCFAFMQPVDQOS-UHFFFAOYSA-N 291.276 3.627 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCOC2(CCCCC2)C1 94367939 AIPHRHCMFCZWKE-ZDUSSCGKSA-N 288.366 3.991 30 20 CHED C=CCCCCCOc1ccc([N+](=O)[O-])cc1C=O 232586168 UHPIXTSSJXTRLT-UHFFFAOYSA-N 263.293 3.533 30 20 CHED C#CCOc1ccc(CNc2ccccc2OCC)cc1 236961692 DJLHXIOFZHKFKW-UHFFFAOYSA-N 281.355 3.709 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(NCC(F)F)c2c1 338483314 CTCGDCANGGOPIE-UHFFFAOYSA-N 281.693 3.745 30 20 CHED C=CCCCCCCNCc1ccccc1NC(C)=O 290184878 SEOWHYSLUUBCRQ-UHFFFAOYSA-N 274.408 3.871 30 20 CHED N#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCCC1 148818908 TWMIIFROCIBDMN-ARFHVFGLSA-N 288.435 3.888 30 20 CHED C=CCN(C)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 431046083 CIHBJHSZSJHXEW-DLBZAZTESA-N 280.371 3.523 30 20 CHED N#Cc1cccc(CNCCCc2ccc(Cl)cc2)c1 237736240 UIJLZHVTFIEARW-UHFFFAOYSA-N 284.790 3.934 30 20 CHED N#Cc1csc(CNc2ccc([C@@H]3CCOC3)cc2)c1 339537850 GGDPJDWFXPEQOB-CQSZACIVSA-N 284.384 3.736 30 20 CHED CCSc1nnc(N=C(O)C[C@H]2C=CCCC2)s1 330168535 CSHJBYRNKPFYMT-VIFPVBQESA-N 283.422 3.985 30 20 CHED Cc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(C)c(C)c1O 335589929 MQVIZWMTGPDOJF-SFHVURJKSA-N 298.386 3.730 30 20 CHED O=C(/C=C\c1cccnc1)c1cccc(Br)c1 96305125 NTMMNDZZHPICBG-SREVYHEPSA-N 288.144 3.740 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1ncc(C)o1 438318093 KLRKWDYCQUYQID-UHFFFAOYSA-N 273.332 3.608 30 20 CHED CCO[C@H](CC(=O)Nc1cccc(C#N)c1C)C1=CCCC1 432340992 RMTHXPVPTMGLRT-QGZVFWFLSA-N 298.386 3.711 30 20 CHED Cc1cc(C)c(C#N)c(N2Cc3cccc(Cl)c3C2)n1 340986336 YRMYJMNNKSWTBA-UHFFFAOYSA-N 283.762 3.744 30 20 CHED CC(C)CN(Cc1cncc(F)c1)c1ccc(C#N)cc1 346979247 AYJJKFDVVMHSMC-UHFFFAOYSA-N 283.350 3.755 30 20 CHED C/C(Cl)=C\CN1CC=C(c2ccc(C#N)cc2)CC1 528428404 FBZMCCVVNVQMDM-AWNIVKPZSA-N 272.779 3.790 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC12CCCCC2 343054767 XHIVARJKOAMUPL-OAHLLOKOSA-N 279.424 3.588 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCOC2(CCCC2)C1 246727817 GBMIYXDTAVXKKF-ZNMIVQPWSA-N 251.414 3.669 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc3ccoc3c2)s1 343960029 HMQQGKQASJEDNA-UHFFFAOYSA-N 268.297 3.618 30 20 CHED CC1(C)Cc2cccc(/C=C\c3ccncc3C#N)c2O1 349103876 DLBMWXDLNCAGAR-SREVYHEPSA-N 276.339 3.837 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)CCCCC#N 347556845 MTPXHPHVILSSHG-HNNXBMFYSA-N 260.381 3.772 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 608962606 PCQMSNQEMSJQQS-RBSFLKMASA-N 278.440 3.893 30 20 CHED C=CC[C@H]1N(C(=O)C[C@@H]2CCCCO2)CCCC1(C)C 347448451 RFQDFMUDBJIVHU-LSDHHAIUSA-N 279.424 3.539 30 20 CHED COc1cccc([C@@H]2C[C@@H](C)CN2CC2(CC#N)CC2)c1 602803815 GGRKOUMNWVNKES-PBHICJAKSA-N 284.403 3.772 30 20 CHED CCc1sc(C(=O)Nc2cc(C#N)ccc2NC)cc1C 348348569 MHHDWPXUOISGNB-UHFFFAOYSA-N 299.399 3.785 30 20 CHED C=CCCN(C)C(=O)CCc1ccc(-c2ccccc2)[nH]1 342003481 KPDOXJHGENOFHA-UHFFFAOYSA-N 282.387 3.649 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)C1 345303923 KUSSGEJNJQAKMV-GXTWGEPZSA-N 285.391 3.755 30 20 CHED C=CC[C@@H]1N(Cc2nc(C(C)(C)C)n[nH]2)CCCC1(C)C 433204525 HSYXVKIRWFVSSV-ZDUSSCGKSA-N 290.455 3.669 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@H](OCC)C(C)C 348392027 ARTFEJJSICTGCR-HNNXBMFYSA-N 295.448 3.714 30 20 CHED CCN(CC1CC(F)(F)C1)[C@H](C)c1ccc(C#N)cc1 295493173 KAWVFQWMBJJALP-GFCCVEGCSA-N 278.346 3.986 30 20 CHED N#CCCN(CCCOc1cccc(Cl)c1)CC1CC1 348549888 CJROOLMJXLQETL-UHFFFAOYSA-N 292.810 3.735 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CCC1CC1 345761866 GUOBQRZSCNPRGM-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C=CCC(C)(C)CN[C@H](Cc1ccccn1)c1cccnc1 340424972 BDPYYZIEVINAMZ-GOSISDBHSA-N 295.430 3.952 30 20 CHED N#Cc1cccc(/C=C2\CCc3cc(F)ccc3C2=O)c1 254965818 PCDWWTRNRUAOOF-OQLLNIDSSA-N 277.298 3.910 30 20 CHED CC[C@@H](NC1CCC(C)(C#N)CC1)c1c(C)noc1C 449216337 RMBWCVQHLRTZBS-NPCAHTBFSA-N 275.396 3.805 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H](CC)c1ccccc1 448819578 BTPTYRHHURJDLW-ZACQAIPSSA-N 287.403 3.577 30 20 CHED CC(C)(CCC#N)CNC(=O)C/C=C\Cc1ccccc1 602157680 YYUVSUYFQGEXEX-SREVYHEPSA-N 284.403 3.622 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(OC(F)F)cn1 355530571 LJSALHNVCAZOBR-UHFFFAOYSA-N 298.333 3.501 30 20 CHED N#CCCCNC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 359855107 JGOHTBWGTNEDFT-UHFFFAOYSA-N 296.157 3.508 30 20 CHED C[C@]1(CN[C@@H]2CC[C@@H](C#N)C2)CCCc2ccccc21 442826996 PDEVMNOQSLLGHA-QGPMSJSTSA-N 268.404 3.562 30 20 CHED N#Cc1ccc(SCCCc2ccncc2)cc1 357766071 UKXVPGONYOCMDI-UHFFFAOYSA-N 254.358 3.678 30 20 CHED C=CC[C@H](CO)CN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 538195457 UXKVEYMQEVKNJS-PBWTXFEYSA-N 287.447 3.733 30 20 CHED N#Cc1ncccc1NCC1(c2ccc(F)cc2)CCC1 357226885 GRGKKGPUDRAITH-UHFFFAOYSA-N 281.334 3.626 30 20 CHED CN(CCC(F)(F)F)Cc1ccc(Cl)cc1C#N 359867208 BFNURZYDTARPOB-UHFFFAOYSA-N 276.689 3.596 30 20 CHED CC[C@@H](C)CN(CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 610500059 XLNOGOWHPCXMDE-KGLIPLIRSA-N 287.407 3.697 30 20 CHED C=CCCCCCN(C#N)c1ccc(F)c(C#N)c1 447285237 DYDLIZQNYHQXBP-UHFFFAOYSA-N 257.312 3.731 30 20 CHED CC1(C)CN(C(=O)c2cc(C#N)cs2)[C@H]1c1ccccc1 610614061 FLNAZDHEEGVAJK-HNNXBMFYSA-N 296.395 3.843 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 539666096 JERUKRYTVVLCMZ-ARFHVFGLSA-N 296.455 3.624 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1CC 459085789 WALRPPGUTOPUGD-UONOGXRCSA-N 252.402 3.563 30 20 CHED Cc1nccn1CCCSc1ccc(C#N)cc1Cl 269921793 AQIJZGUQVKFEAD-UHFFFAOYSA-N 291.807 3.899 30 20 CHED C=CCCC1(C(=O)NC[C@H]2C[C@H]2c2ccccc2)CC1 357655633 MUIJVCNLRDDJIX-CVEARBPZSA-N 269.388 3.653 30 20 CHED COc1ccc(OC(C)C)c(N[C@H]2CC[C@H](C#N)C2)c1 442872628 IIIFFORTDKRNIP-STQMWFEESA-N 274.364 3.587 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)[nH]c2C)ccc1OC(C)C 449940031 KXAHIMVALGHWTD-UHFFFAOYSA-N 297.358 3.543 30 20 CHED C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1cccs1 612443923 PURPPQVYVSYFFN-VIFPVBQESA-N 290.775 3.764 30 20 CHED CCN(C(=O)CC(C)(C)C#N)[C@H](C)c1ccc(F)cc1 353820101 XJKQUMMGQWZVNU-GFCCVEGCSA-N 276.355 3.675 30 20 CHED C=CCCCSCC(=O)Nc1ccc(C)cc1C 265404877 LLFZKZNGLMSNRI-UHFFFAOYSA-N 263.406 3.941 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@]2(C)c2ccccc2OC)CC1 356191831 NAIJJWWNHKPBBI-FUHWJXTLSA-N 299.414 3.588 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2c2cccc(F)c2)c(F)c1 610505334 HIOGMKSIPHFQKL-QGZVFWFLSA-N 284.309 3.783 30 20 CHED N#C[C@@H](C(=O)c1ccc(Cl)o1)c1ccc2ccccc2n1 613290522 DYAFBEUYNKQMOE-LLVKDONJSA-N 296.713 3.971 30 20 CHED C=CCN(C(=O)Nc1cc(C)c(Cl)cc1OC)C1CC1 537859470 JDOCERMHLHIQLJ-UHFFFAOYSA-N 294.782 3.839 30 20 CHED C=CCCc1noc(C[C@@H](C)c2ccccc2OC)n1 453249585 VESSILZPEUEHAK-GFCCVEGCSA-N 272.348 3.543 30 20 CHED C=CCC1(C(=O)N(C)[C@@H]2C[C@@H](OCC)C23CCC3)CCC1 361933500 AXXGWEXLGCCJII-HUUCEWRRSA-N 291.435 3.539 30 20 CHED CCc1cc(C)nc(N[C@@H](CCC#N)c2ccccc2)n1 613282392 NMIMJVXAKNGIPA-INIZCTEOSA-N 280.375 3.804 30 20 CHED C=CCCOCCCCC(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C 456323330 HGVRUZHNCRXCRI-WMZOPIPTSA-N 295.467 3.888 30 20 CHED C[C@@H](c1cc(F)ccc1F)N1CCC[C@](C)(C#N)C1 612159642 XDRDJRUVUKGPQM-XHDPSFHLSA-N 264.319 3.651 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2ccccc2[C@@H]1C 614398479 XVOFOTDLNKICQJ-HNNXBMFYSA-N 276.383 3.986 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(OC)c1OC(C)C 614396654 PTPJHZNJMGTLEQ-CYBMUJFWSA-N 291.391 3.567 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(Cl)cc(Cl)c1 271147108 ZBSHNBUEGFYCHZ-SECBINFHSA-N 257.164 3.585 30 20 CHED CCCN(CC#N)Cc1ncc(-c2ccc(Cl)cc2)o1 362904538 BXHFMBURKFPHKW-UHFFFAOYSA-N 289.766 3.731 30 20 CHED C#CCCCCC(=O)N(CC)c1cccc(C)c1C 271389730 VAVVVFQYJYZFQW-UHFFFAOYSA-N 257.377 3.850 30 20 CHED C=CCOCCCC(=O)Nc1cccc(SC)c1C 271722892 XDMSUBMNIKMCHE-UHFFFAOYSA-N 279.405 3.638 30 20 CHED C=CCC1(C(=O)NCC[C@H]2CCO[C@@H](C)C2)CCCCC1 450555800 NJHBCXWWCKFEHG-HOTGVXAUSA-N 293.451 3.834 30 20 CHED C#CCCCCN[C@H]1CCC[C@H](c2cccnc2)C1 367067164 QIAGMVGSQCXGHY-RDJZCZTQSA-N 256.393 3.501 30 20 CHED C[C@H](NCc1ccnc(C#N)c1)c1cc2ccccc2o1 612493986 CLUZJBMQQJABPQ-LBPRGKRZSA-N 277.327 3.550 30 20 CHED C[C@@H](N[C@@H]1COc2c(Cl)cccc21)c1cccc(C#N)c1 362796993 LKOUVQZLFSYCSC-BDJLRTHQSA-N 298.773 3.996 30 20 CHED C=CCN(CCc1ccccc1)Cc1noc(C2CCC2)n1 625109995 XHLSZQQZFUEVAF-UHFFFAOYSA-N 297.402 3.568 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CC(C)(C)OC2(C)C)c1 273315315 OGWCFEUXPYQNIB-HNNXBMFYSA-N 286.375 3.519 30 20 CHED C[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 548288481 VBMAWGWKZBNNBP-GFCCVEGCSA-N 298.773 3.745 30 20 CHED CC(C)C(CNC(=O)[C@]1(C#N)CC12CCCC2)C(C)C 451093493 WBEJZWPTLQUILN-QGZVFWFLSA-N 276.424 3.505 30 20 CHED N#CCCCCNC(=O)N1CCCC[C@@H]1c1ccccc1 273949535 FGFDTQLTGHQCHW-MRXNPFEDSA-N 285.391 3.617 30 20 CHED C=CCCOc1ccccc1-c1cccc([C@H](CO)NC)c1 629736833 XPORMGURQWTOHC-SFHVURJKSA-N 297.398 3.561 30 20 CHED N#Cc1ccnc(N[C@H](c2ccc(Cl)cc2)C2CCC2)n1 450316138 QRSVQXJKZGFZRM-HNNXBMFYSA-N 298.777 3.955 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccc(O)cc2C2(CC2)C1 360733806 WILLPBTYWFVVSW-UHFFFAOYSA-N 297.398 3.534 30 20 CHED C=C(CC)CN(Cc1ccccc1OC)C[C@H]1CCCO1 540194527 PTKZWGYXIAMFNL-QGZVFWFLSA-N 289.419 3.642 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(OC(F)F)c1 274604212 IPMYRTQTAADYRU-DMDPSCGWSA-N 280.318 3.631 30 20 CHED CCN(CCNCc1ccc(C#N)s1)c1cccc(C)c1 540481741 JTGITALLEUPUCA-UHFFFAOYSA-N 299.443 3.544 30 20 CHED CCCCCN(C(=O)NCCCC#N)[C@@H](C)CCC 541519357 LUNFTXHFZDAOKJ-AWEZNQCLSA-N 267.417 3.681 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccccc1F)C(C)(C)C 622944361 OTIKXMLKJVDNGH-LBPRGKRZSA-N 263.356 3.742 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]1c1cccc(OCC)c1 540532650 MLLATYFAHGERJM-QZTJIDSGSA-N 299.414 3.826 30 20 CHED CC(C)C[C@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 285736792 KQULIOMHFVLPFJ-LBPRGKRZSA-N 290.382 3.526 30 20 CHED C=CCCC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 460452660 ROQCETPXKFYLTJ-MRXNPFEDSA-N 259.393 3.741 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](OCC)c1ccccc1 620861740 XUDXSAXOCAMHBB-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(O)c1 282246686 JHFLIZMCRJOEDN-CYBMUJFWSA-N 278.355 3.604 30 20 CHED Cc1ccc(CN(C)C(=O)[C@@H](C)c2cccc(C#N)c2)cc1 461727881 HGRXISZGQQBEMV-HNNXBMFYSA-N 292.382 3.629 30 20 CHED CC(C)(C#N)CCSCc1cnc(Cl)s1 289455604 UMIPCSGFUZOEAC-UHFFFAOYSA-N 260.815 3.970 30 20 CHED Cc1nccc(-c2cccc(NCCC(C)(C)C#N)c2)n1 288676152 IDSQEKJQRGXJQF-UHFFFAOYSA-N 280.375 3.804 30 20 CHED CCOC1CC(CSCc2ccc(C#N)cc2OC)C1 285240161 YVBYBBQUQIBBSE-UHFFFAOYSA-N 291.416 3.615 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C)CC1CCOCC1 468518136 VMSSTAIOCARRQA-ZDUSSCGKSA-N 288.391 3.574 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(c2ccnc(C#N)c2)C1 286367297 LEWPIGLTSXZGJT-SUMWQHHRSA-N 263.344 3.541 30 20 CHED CC#CCCSCc1ccn(-c2ccccc2)n1 462379821 YRUATUPDLNEYCY-UHFFFAOYSA-N 256.374 3.519 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2ccncc2)C1 289036640 BEYUGJKTJNLSPX-BEFAXECRSA-N 291.398 3.894 30 20 CHED C=CCCCCCCNC(=O)/C=C/c1cccc(O)c1 805217815 KRUZNNMXNGEIAI-VAWYXSNFSA-N 273.376 3.658 30 20 CHED C#CCC(C)(C)C(=O)NCCc1cc2ccccc2s1 293850306 DDVIEKCTISXEPL-UHFFFAOYSA-N 285.412 3.610 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc(C(C)C)n1 475744518 CCOLMXJJVDASBB-UHFFFAOYSA-N 287.407 3.797 30 20 CHED COc1cc(Cl)c(N=Cc2cccc(O)c2O)cc1C 809144372 LRTYBEKEQSAMNW-UHFFFAOYSA-N 291.734 3.819 30 20 CHED C#C[C@H](C)N[C@@H](C)CCc1ccc(OC/C=C/C)cc1 809684341 ZDHKZYZJXKFARR-MCXNIAKKSA-N 271.404 3.574 30 20 CHED CC(C)(CC#N)CSc1nc2c(cc1C#N)CCCC2 567407962 QMUGSEAYOWHVSF-UHFFFAOYSA-N 285.416 3.864 30 20 CHED C=CCCc1noc(CCSc2ccc(OC)cc2)n1 297177226 DRYCPKZPIAQEPQ-UHFFFAOYSA-N 290.388 3.532 30 20 CHED C=C[C@H](C)OC(=O)c1cccc(C(=O)Nc2ccccc2)c1 802781997 KPVAUOQSOXBHJK-ZDUSSCGKSA-N 295.338 3.670 30 20 CHED C#Cc1ccc(CN[C@H]2CCCOc3cc(F)ccc32)cc1 809632662 UXDFCKWHPKBKCH-SFHVURJKSA-N 295.357 3.811 30 20 CHED C=CCC(CC=C)C(=O)OCc1csc(C)c1 806022426 XDPKHVZULDONAH-UHFFFAOYSA-N 250.363 3.868 30 20 CHED N#Cc1ccc(N2CCC([C@H](O)c3ccccc3)CC2)cc1 298456785 WNGFVFCXVFTAIZ-LJQANCHMSA-N 292.382 3.508 30 20 CHED CCc1ccccc1NN=C(Cn1cccn1)C(C)C 802709212 RCVSLMHPNDURBQ-UHFFFAOYSA-N 270.380 3.570 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](C)OCC(C)C)CCCC1(C)C 564622376 UWGGBAVCAQVPEI-LSDHHAIUSA-N 281.440 3.641 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)c1ccc(C#N)s1 474994035 QTZATAVHUHRROL-UHFFFAOYSA-N 278.421 3.764 30 20 CHED C=CCOCCOC(=O)[C@@H](C)c1ccc2ccccc2c1 813894411 KLZBGQBNXLDDKI-AWEZNQCLSA-N 284.355 3.689 30 20 CHED N#Cc1c(F)cccc1COc1ccc2c(c1)CCCC2=O 488228374 YFQHVAWJDKXRIP-UHFFFAOYSA-N 295.313 3.795 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](CC)c1ccccc1 815312864 LWLLGPDTYAEPPW-GFCCVEGCSA-N 254.276 3.892 30 20 CHED CCc1cnc(C=NNc2nc3ccccc3s2)s1 814685695 UWHHIGCVOQGEJB-UHFFFAOYSA-N 288.401 3.761 30 20 CHED C#C[C@@H](NC(=O)CCCCC)c1ccc(Cl)cc1 811946757 JLIJGUPMDBCOIW-CQSZACIVSA-N 263.768 3.711 30 20 CHED c1ccc([C@H]2CCC(=NNCCc3ccccn3)C2)cc1 814924792 BOSMSLIXMYYAPP-INIZCTEOSA-N 279.387 3.537 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccccc1C(=O)O 814768859 NZTNROQAXFJYAB-GFCCVEGCSA-N 285.347 3.503 30 20 CHED C=C(C)CN(C)CCc1cccc(OC(F)(F)F)c1 481284892 MFXXMPAKIWLZAG-UHFFFAOYSA-N 273.298 3.636 30 20 CHED Cn1cc(CN2CCCC3(CCCCCC3)C2)cc1C#N 483285539 NQZAHLVOXXZRTQ-UHFFFAOYSA-N 285.435 3.833 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CC23CCCC3)cc1 571578205 GSBXYTJSTKOJIY-IRXDYDNUSA-N 296.414 3.852 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(C#N)n1 810609375 JJSCJYFVYBECAS-IVMMDQJWSA-N 286.375 3.571 30 20 CHED C#C[C@@H](NC(=O)CCC(C)(C)C)c1ccc(Cl)cc1 811947850 QXGQXRVYRMGXPB-CQSZACIVSA-N 277.795 3.957 30 20 CHED C=CCCCCCCCNC(=O)[C@H](F)C(F)(F)F 811589894 LDBMYFBGQFFVPM-JTQLQIEISA-N 269.282 3.530 30 20 CHED C#Cc1ccccc1CC(=O)O[C@H](C)c1cccc(F)c1 810555430 ZMLOULRIIMPVDD-CYBMUJFWSA-N 282.314 3.654 30 20 CHED C(=NOC1CCC1)c1ccc(Oc2ccccc2)o1 812235669 MSXCAGROTJDLRM-UHFFFAOYSA-N 257.289 3.975 30 20 CHED CCC(=NNc1cccc(OC)n1)c1ccc(F)cc1F 814900535 XTQRREKLNIISHW-UHFFFAOYSA-N 291.301 3.595 30 20 CHED Cc1cc(C(=O)/C=C/c2c(F)cccc2F)ccc1O 728230682 FEHYQCAGGLUVQU-SOFGYWHQSA-N 274.266 3.875 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)OC1(CC#N)CCC1 810859489 LNYRRFLQPMHYKP-VXGBXAGGSA-N 275.373 3.540 30 20 CHED C[C@@H](NN=Cc1ncc(C(C)(C)C)s1)c1ccncc1 819817669 DFRSTODOGYNMNH-LLVKDONJSA-N 288.420 3.520 30 20 CHED CN(C(=O)c1ccc(C#N)o1)c1ccc2ccccc2c1 814103503 OEMGLHTVZBBQLW-UHFFFAOYSA-N 276.295 3.581 30 20 CHED CCCN(CC#N)Cc1c(C)ccc2ccccc12 483394621 ZNZPYBKHOZROAS-UHFFFAOYSA-N 252.361 3.884 30 20 CHED Cc1ccc(F)c(C=NN[C@@H](C)COc2ccccc2)c1 811668447 OKOWKPPKLSSSQA-AWEZNQCLSA-N 286.350 3.525 30 20 CHED C=CCC1(NCc2cc3ccccc3o2)CCOCC1 657632269 DGBHVEYMOFRXMB-UHFFFAOYSA-N 271.360 3.648 30 20 CHED CC(=NNC1CCCC1)c1ccc(Br)cc1 727652554 LGDQIYBGCWSECG-UHFFFAOYSA-N 281.197 3.705 30 20 CHED C#Cc1cccc(NC(=S)N(C)Cc2ccccc2C)c1 726440001 PBYXUDYYBNNDMA-UHFFFAOYSA-N 294.423 3.805 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](OC3CCC3)C2)CCCC1 655286918 VFLPYYIDGJDKER-MRXNPFEDSA-N 291.435 3.683 30 20 CHED C=C[C@@H](CC)CC(=O)N(OC)[C@H](C)c1csc(C)n1 821222013 NDQXITBPXXFLFA-PWSUYJOCSA-N 282.409 3.505 30 20 CHED CCN(Cc1ccc(N2CCCCC2)c(C)c1)C[C@@H](C)C#N 827602051 MWNYUSXMPHVFDQ-INIZCTEOSA-N 299.462 3.967 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H]1CCC[C@H](C)C1)c1ccccc1 820605562 OELVBNJAWAZSOF-UAGQMJEPSA-N 284.403 3.581 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 822815515 JBHACDMDBMNVKI-KMFMINBZSA-N 287.403 3.517 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCC[C@@H](C)C2)cc1 570968744 KUESMXGXQLZSHK-XYPHTWIQSA-N 284.403 3.756 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCCN1C1CCCC1 490100468 IKFXIHOENIUHKG-INIZCTEOSA-N 292.467 3.502 30 20 CHED C=C(C)CN(C)Cc1cc(C(F)(F)F)ccc1F 497200341 QYQSJQHIVWTRKH-UHFFFAOYSA-N 261.262 3.852 30 20 CHED CCC(CC)[C@H]1C[C@@H](Nc2snc(C)c2C#N)CCO1 588013241 HISVAZIEGAWIFF-GXTWGEPZSA-N 293.436 3.719 30 20 CHED C=CCCCCNc1cccc([C@@H](C)C(=O)OC)c1 582111435 SMRBDYWHXPQTHV-CYBMUJFWSA-N 261.365 3.731 30 20 CHED CC(C)(C)CN(Cc1ccccc1)C(=O)NCC1(C#N)CC1 580513453 KWDCPOHBWZZQRT-UHFFFAOYSA-N 299.418 3.548 30 20 CHED C#CCN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C1CC1 491691825 PWTNVTMZIQXSCJ-NSHDSACASA-N 295.304 3.590 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2c(C)nn(C)c2Cl)c1 730436742 LTZBWIKXOFVGBA-AATRIKPKSA-N 288.778 3.895 30 20 CHED C[C@@H](C#N)CN(C)C(=O)C(C)(C)CCCc1ccccc1 494132658 MHKIUCOLASKXIE-HNNXBMFYSA-N 286.419 3.654 30 20 CHED CC(C)(C)c1cnc(/C=C\c2nc(C#N)cs2)s1 901543283 FPKJOYPTCPYNNL-PLNGDYQASA-N 275.402 3.939 30 20 CHED C=CCCCC[C@H](C)N[C@H](C(=O)O)c1cc(F)ccc1F 901637692 QCJWKBKXQHMYOO-NHYWBVRUSA-N 297.345 3.815 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N(CC#N)C2CCCC2)cc1C 737642632 ZGZPPWWEIUVVLW-CMDGGOBGSA-N 296.414 3.920 30 20 CHED C#CCCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730690059 AXVPEEFNSCGENL-VXGBXAGGSA-N 283.154 3.663 30 20 CHED CCCCCCCn1cnc2cc(F)c(F)cc2c1=O 734093645 BMFZKUJVCRXYJV-UHFFFAOYSA-N 280.318 3.645 30 20 CHED N#Cc1ccc(SCc2ccsc2C(=O)O)c(F)c1 833074025 MOZLYUILSAOJSQ-UHFFFAOYSA-N 293.344 3.749 30 20 CHED C[C@@]1(NCc2ccc(C#N)cc2)CCCc2ccccc21 580296177 JFONBSNTCJEYMU-LJQANCHMSA-N 276.383 3.900 30 20 CHED CCC(CC)NN=Cc1cc(Br)ccc1F 734366200 IHBGMIGPQLTSNL-UHFFFAOYSA-N 287.176 3.700 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(C(=O)O)cc2)cc1 830063649 GFBUIFDICSZICE-XGICHPGQSA-N 296.322 3.680 30 20 CHED N#Cc1cccc(C=NNc2ncc(Cl)cc2Cl)c1 839395738 IPDFGKMJZXOLAV-UHFFFAOYSA-N 291.141 3.706 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2cccc3[nH]ccc23)no1 904563099 HOCVHSYFBCGQQK-CYBMUJFWSA-N 282.347 3.574 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1c1ccc(F)c(F)c1 732928078 BSVWNKLVLQXQIU-CQSZACIVSA-N 296.386 3.552 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccc2ccccc2n1 903032758 WYAKKDDCXMMGRL-CYBMUJFWSA-N 265.360 3.579 30 20 CHED CC(C)COc1ccccc1/C=C/C(=O)c1ncco1 901517998 JVRPLYFLCJZRRC-BQYQJAHWSA-N 271.316 3.606 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(C(=O)O)c(C(C)C)s1 907769124 RVVZAMQXMVCWLL-SECBINFHSA-N 296.392 3.506 30 20 CHED C1CCC2(CC1)CCCC2=NN[C@H]1CCSC1 834978699 BRGATPKCXFUQHE-LBPRGKRZSA-N 252.427 3.572 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(C)o1 739422591 WIWIQJUQCPJLPK-UHFFFAOYSA-N 283.253 3.838 30 20 CHED C=CCCCCOC(=O)c1cc(Cl)ncc1Cl 837653926 OZFXCCJMRCPPLL-UHFFFAOYSA-N 274.147 3.902 30 20 CHED C#CC(C)(C)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 839282059 UQTLGVQBFRUWEZ-SECBINFHSA-N 284.186 3.625 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1c(C)cccc1C 738290353 YVCQHJIESOPBAJ-UHFFFAOYSA-N 285.391 3.709 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@@H]2CCCCO2)C1 595788317 IXJUEDXOFNKTMB-MNEFBYGVSA-N 298.430 3.900 30 20 CHED CC(C)c1ccc(NN=Cc2cnn(CC(F)F)c2)cc1 835018882 WLACDYXRQPZVMK-UHFFFAOYSA-N 292.333 3.718 30 20 CHED COc1cccc(C[S@](=O)CCC(C)(C)C#N)c1Cl 594681555 HQTDHQZTBOFEKX-LJQANCHMSA-N 299.823 3.537 30 20 CHED COC(=O)c1cc(NN=C2CCCCCC2)ccc1F 835011950 OJSUMZBJHIQJRJ-UHFFFAOYSA-N 278.327 3.734 30 20 CHED C#CCCCNCc1ccc(-c2ccc(C)cc2)o1 742385105 KMGFYLWLESEXQO-UHFFFAOYSA-N 253.345 3.758 30 20 CHED N#CCCCNCc1oc2ccccc2c1Br 594499810 KHWGQRRDHFFBLT-UHFFFAOYSA-N 293.164 3.589 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)C1CCCC1)c1ccncc1 749392714 ZITHYMBEPYIORQ-BBRMVZONSA-N 272.392 3.641 30 20 CHED CCCCCCCN1C(=O)N(C)C2(CCCCC2)C1=O 915666370 ABVHSSYOTLCIMF-UHFFFAOYSA-N 280.412 3.554 30 20 CHED CCCCCC[C@H](C)NN=Cc1cnn(C(C)(C)C)c1 743450390 JYYNPZVIPBMABN-AWEZNQCLSA-N 278.444 3.921 30 20 CHED Cc1cccc(F)c1CNc1c(F)cc(C#N)cc1F 742419749 NRHWPOKJTQQSOE-UHFFFAOYSA-N 276.261 3.896 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nc(C2CCC2)no1 594534197 WYGSIGUBIAKPGB-LLVKDONJSA-N 267.332 3.555 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)/C=C/c1cc(C)c(C)cc1C 918599178 MZAOGNCQPLOSIA-GWJCSSMESA-N 284.403 3.633 30 20 CHED Cc1cc(C#N)ccc1-c1ccc(O[C@@H]2CCOC2)cc1 592983670 HGHDKJOCYTYZQD-QGZVFWFLSA-N 279.339 3.701 30 20 CHED C=C(Cl)COC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 747514152 CAMFWHRZIDVFJM-VXGBXAGGSA-N 271.143 3.739 30 20 CHED CC(C)(CC#N)CNc1cc(Cl)ccc1[N+](=O)[O-] 840334358 PYDASLFDFRRQGJ-UHFFFAOYSA-N 267.716 3.600 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)CCOc2ccccc21 748999421 XTJCYWJBCVDFAZ-FMIVXFBMSA-N 285.730 3.784 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](CC#N)C1 595491778 XUQZRGVEQITLHI-XHSDSOJGSA-N 291.439 3.681 30 20 CHED CC(=NN=C[C@H](C)CCc1ccccc1)c1cnccn1 749165352 UTXKZYINFFZACC-CQSZACIVSA-N 280.375 3.540 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(Cl)c(F)c1F 841317446 PCRQQSSWZYKXRG-UHFFFAOYSA-N 272.678 3.573 30 20 CHED C[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1cccc(C#N)c1 743776652 DBYZQONOSGKONO-MMQHEFTJSA-N 294.329 3.588 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(C2CCC2)cc1 844648419 ZSYKYCCXANJGNQ-LLVKDONJSA-N 260.337 3.582 30 20 CHED C=C[C@@H](C)ON=C(COC(F)(F)F)c1ccccc1 844623167 ADENMECIFNUCQP-SNVBAGLBSA-N 273.254 3.518 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(F)nc1F 844683129 QXOOWXWGOKEWKD-UHFFFAOYSA-N 283.322 3.570 30 20 CHED CC(=NNc1cnccn1)c1cc(F)c(Cl)cc1Cl 912961515 IFLPOQRBYQJPTG-UHFFFAOYSA-N 299.136 3.759 30 20 CHED CCc1ccccc1NN=Cc1cnn(C(C)(C)C)c1 915959033 FFIOFJWMVFYEBD-UHFFFAOYSA-N 270.380 3.647 30 20 CHED C/C(=C/C(=O)OCc1ccc(C#N)cc1)C(C)(C)C 744115819 PGYJIRBAAIASBO-XFXZXTDPSA-N 257.333 3.594 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(C(=O)O)cc1 743450034 FAEDKXFKSWHBRB-ZDUSSCGKSA-N 276.380 3.667 30 20 CHED C[C@H](C#N)N(Cc1cc(Cl)cc2cccnc12)C1CC1 595714191 OSUWVKNIANRCDW-LLVKDONJSA-N 285.778 3.765 30 20 CHED C[C@@H](c1noc(CC2(C#N)CCCCC2)n1)C1CC1 596590587 OXXGSGHXVDZGPH-LLVKDONJSA-N 259.353 3.600 30 20 CHED Cc1cc(C#N)ccc1CNC1(c2ccccc2C)CC1 592139900 OXLUHWIPUVXYBW-UHFFFAOYSA-N 276.383 3.954 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCF 597180505 PYGSAYUVTXXMSM-NSHDSACASA-N 280.368 3.627 30 20 CHED C=CC[C@H](CC)NC(=O)CCCOc1ccc(C)cc1 684939894 XXHGMEAUQPXNOD-HNNXBMFYSA-N 275.392 3.625 30 20 CHED O=C1/C(=C/c2cccc3c2OCO3)Cc2cc(Cl)ccc21 742437603 OVKCETOKFMUMSO-WUXMJOGZSA-N 298.725 3.891 30 20 CHED C=CCCSCCNc1cc(Br)ccn1 596413416 KWPSHWGTAMLUOX-UHFFFAOYSA-N 287.226 3.565 30 20 CHED Cc1nnc([C@@H](C)ON=Cc2ccccc2C(F)(F)F)o1 742351934 IDLWNSNKVYIOEW-MRVPVSSYSA-N 299.252 3.509 30 20 CHED C=CCN(C(=O)/C=C\c1cnc(C(C)(C)C)s1)C(C)C 742638384 CTYRJCPFGPRVNO-HJWRWDBZSA-N 292.448 3.877 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F 916249555 YGMXOJCKAZBPEH-UHFFFAOYSA-N 291.257 3.709 30 20 CHED COC[C@H](CC(C)(C)C)Nc1cccc(CC#N)c1 593632530 BONRGFRFTGHBEZ-HNNXBMFYSA-N 260.381 3.616 30 20 CHED N#CC1(CC(=O)Nc2ccc3c(c2)CCCN3)CCCCC1 595252221 BOQVEHPCWCHSFJ-UHFFFAOYSA-N 297.402 3.847 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccc2[nH]ccc2c1 748920776 YKQTVGSKZJEMTD-UHFFFAOYSA-N 290.322 3.705 30 20 CHED CC(C)C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 598600710 PYNWEQRCFIGXDU-IAGOWNOFSA-N 288.435 3.664 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc2c1OCC2 593934249 RNHBZQKCGHVLRJ-QGZVFWFLSA-N 290.366 3.983 30 20 CHED CS[C@@H](C)CCC(=O)N(CC#N)c1ccc(Cl)cc1 592651440 GAUKLPOVDFMVEA-NSHDSACASA-N 296.823 3.728 30 20 CHED C[C@@H](C#N)N(Cc1csc(C2CCCC2)n1)C1CC1 595712827 BDSBJDHKHKSBQI-NSHDSACASA-N 275.421 3.677 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1ccc(N(C)C)cc1 840785111 GDFWSJNNUIVKSL-MRXNPFEDSA-N 273.424 3.733 30 20 CHED C[C@@H]1CCC[C@H](C(=O)OCc2cc(C#N)ccc2F)C1 745156362 BPWGYCPCRIJYDB-YPMHNXCESA-N 275.323 3.567 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(/C=N\C2CCCCC2)c1O 920943611 VPCFPTBEVWGJKE-NVNXTCNLSA-N 282.727 3.705 30 20 CHED C#CC[C@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccccc1 757032978 KHUXHJQYFQELIS-JKSUJKDBSA-N 284.403 3.629 30 20 CHED C(=NNc1cnc2ccccc2n1)c1ccccc1C1CC1 751132393 CIDPDTCRVMBLJW-UHFFFAOYSA-N 288.354 3.953 30 20 CHED CC(C)CC1(CNC(=O)/C=C/c2ccccc2C#N)CC1 756988328 SCTDPFRUHJEUOX-BQYQJAHWSA-N 282.387 3.514 30 20 CHED Cc1cc(Cl)cc(C)c1/C=C1/CCn2nccc2C1=O 853009859 RBGWPNNUNNWEJA-XFXZXTDPSA-N 286.762 3.823 30 20 CHED C[C@@H](CC=NNc1ccc(Cl)nn1)c1ccccc1 755480289 DINATEHBTCJXBE-NSHDSACASA-N 274.755 3.722 30 20 CHED C#CC(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 754082949 IPNLEUWPGWKGHD-UHFFFAOYSA-N 294.181 3.632 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N[C@H]1CC[C@H](O)CC1 753020899 RMUWCMPWCKXGMU-BZUAXINKSA-N 298.471 3.586 30 20 CHED C=CCOc1ccc(OC(=O)C[C@@H](OCC)C(=C)C)cc1 755941389 USORDKDFJLVGFS-MRXNPFEDSA-N 290.359 3.528 30 20 CHED CCOc1ccc(C=NOCc2ccccc2C#N)cc1 852208846 JNWGVLNDIBPNFI-UHFFFAOYSA-N 280.327 3.508 30 20 CHED CCC#C[C@H](C)N[C@H](C[C@@H]1CCOC1)c1ccccc1 684095314 VYFSIYVCRREAHQ-XYJFISCASA-N 271.404 3.546 30 20 CHED C=CCC(CC=C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 758529611 OIRKTQOCTJWXBG-CQSZACIVSA-N 293.370 3.816 30 20 CHED C=CC[C@@H](NC(=O)NCC1(CC)CCC1)c1ccncc1 752980840 QFILYWYYZVUPDO-OAHLLOKOSA-N 287.407 3.578 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(CN(C)C)c(F)c1 926101626 SYPARKGBQKMBSA-LBPRGKRZSA-N 277.387 3.628 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 754520228 NKJIBLGMFKANNL-RDJZCZTQSA-N 284.403 3.575 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3ccccc3F)ccc21 751526988 PZPGYJNUKNFTKZ-VQHVLOKHSA-N 281.330 3.714 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNc1ncc(Cl)cn1 857221357 ZXHSZUYKYMEWBS-VHSXEESVSA-N 266.776 3.744 30 20 CHED C1CC[C@H](ON=C2CC[C@H]3CCCC[C@@H]3C2)OC1 755819543 VBESFIPJGZQMAR-NFAWXSAZSA-N 251.370 3.876 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(-c2cnco2)cc1 851211981 PFQJZXQUNIQUKD-LBPRGKRZSA-N 298.342 3.827 30 20 CHED CCCCCC[C@@H](C)NN=C(C)C1CCOCC1 755892264 RJZOIDSIGHYRAL-CYBMUJFWSA-N 254.418 3.737 30 20 CHED CC(C)[C@@H](CO)[C@H](NCCCCC1(C#N)CCC1)C(C)C 930641282 ZQPYSVUQFIPFMP-IAGOWNOFSA-N 294.483 3.729 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(OCC2CC2)cc1 858908809 CQRCLQGFRIHURC-UHFFFAOYSA-N 287.359 3.711 30 20 CHED CC(=NNc1ccnc(Cl)c1)c1sc(C)nc1C 853394523 RWRRIGILEBCTGE-UHFFFAOYSA-N 280.784 3.644 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1ccc(OCC#N)cc1 1332340920 SJSDOXUULNKNNS-NWANDNLSSA-N 276.355 3.520 30 20 CHED CCCCCCCC(=O)Nc1cc(C(F)(F)F)nn1C 857683131 YWDBMVOPTMHHSR-UHFFFAOYSA-N 291.317 3.738 30 20 CHED CCO[C@@H]1CCCC1=NNc1c(C)cc(C)cc1C 766455622 SRFXKMCEVXPGCK-OAHLLOKOSA-N 260.381 3.969 30 20 CHED CC#CCCCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 767070661 ADQNDICQLRVTFY-UHFFFAOYSA-N 290.382 3.802 30 20 CHED C=CCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767877780 WRJNDMLUZGLASS-LBPRGKRZSA-N 255.283 3.681 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)c1ccc(Cl)c2occc12 936053907 QEGXBKMTNHCIJV-OAHLLOKOSA-N 288.734 3.508 30 20 CHED FC(F)(F)CON=C1CCCc2ccc(Cl)cc21 761267867 WFMFEGHTEAXDPU-UHFFFAOYSA-N 277.673 3.959 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 933130558 SLMSQBZQEANGQM-FMKPAKJESA-N 281.440 3.546 30 20 CHED CC[C@@H](C)[C@H](NC(=O)c1cc(C#N)ccc1C)C(F)(F)F 935672268 RUXPFZGLNGLISH-RNCFNFMXSA-N 298.308 3.574 30 20 CHED CCCCCCCNC(=O)C[C@@H]1CCO[C@H](CC)C1 862357776 GTZPTGORDWGZBN-HUUCEWRRSA-N 269.429 3.668 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)O[C@H](C#N)C1CCCCC1 769184249 QRHWJORPAUQOHC-VHDGCEQUSA-N 263.381 3.828 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 860198490 WJVGPFMCFVIIDL-NSHDSACASA-N 290.319 3.529 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)C2=CCCC2)c1 760504938 DHJOOWHEJWKBOH-UHFFFAOYSA-N 291.350 3.904 30 20 CHED C#CCOc1ccc(NC(=O)/C=C/C(=C\C)CC)cc1 765454117 YJNROACPIZSUAZ-FQFBLBOKSA-N 269.344 3.550 30 20 CHED CCc1cccc(/C=C2/CCc3scnc3C2=O)c1 863198566 POWQCCRFJYLGMQ-LCYFTJDESA-N 269.369 3.918 30 20 CHED O=C(Nc1cccc(C(F)(F)F)c1)[C@H](F)C(F)(F)F 763904115 XWCRPPMELMLVFY-ZETCQYMHSA-N 289.150 3.544 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C/c2ccc[nH]2)CCCC1(C)C 769645374 TWLKRNWPKHUNRH-FEAKQIBJSA-N 272.392 3.621 30 20 CHED CC(CCCC(C)C)=NNc1ccccc1S(C)(=O)=O 764691646 FPDRUJOUJOGZOQ-UHFFFAOYSA-N 296.436 3.704 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 767116756 HZYWOJSWKUEYKG-JTQLQIEISA-N 277.389 3.674 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc(F)cc1OC 761884951 NMSBEIBZVTVNHS-SNVBAGLBSA-N 250.317 3.812 30 20 CHED CC(CCC1CCCCC1)=NNCC(F)(F)F 769825811 WUJDZARJUUGHLQ-UHFFFAOYSA-N 250.308 3.875 30 20 CHED Cc1ccnc(NN=C(CC(C)C)c2ccccn2)c1 760260366 MQYAPXOWEQGWDD-UHFFFAOYSA-N 268.364 3.647 30 20 CHED Cn1cc(-c2ccc(/C=C\c3ccc(C#N)cn3)cc2)cn1 1116889958 LGYISVGMZIMKDI-YWEYNIOJSA-N 286.338 3.524 30 20 CHED C[C@@H](CCC#N)CNc1ccc(OC(F)F)cc1 876820682 QJUCKBIDBVTGFX-JTQLQIEISA-N 254.280 3.640 30 20 CHED C#CCCCN1CCC[C@@H]1COc1ccc(Cl)cc1 766895336 FHNXVDYUBZHARO-OAHLLOKOSA-N 277.795 3.597 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(C)(C)C)nn2)C[C@@H]1C 1116635311 SYCGAARZYOORIJ-RYUDHWBXSA-N 274.412 3.998 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c1 770565845 LINISRMNYNDAPK-SOFGYWHQSA-N 265.287 3.902 30 20 CHED CC1(C#N)CCC(Nc2cccc3nccnc23)CC1 877763173 PXBJZJUXHZCWNC-UHFFFAOYSA-N 266.348 3.514 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(-c2cccs2)s1 1116535959 UQSCKNRMXREHQU-SECBINFHSA-N 263.387 3.781 30 20 CHED C[C@@H](COc1ccccc1)N[C@H](C)c1ccc(C#N)cc1 776160581 OWOMHORPFMBECW-LSDHHAIUSA-N 280.371 3.676 30 20 CHED Cc1ccc2c(c1)CCN2Cc1ccc(C#N)cc1F 773648761 REIKGMCACCHVGD-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C[C@H](N[C@H](C)Cc1ccco1)c1ccc(C#N)c(F)c1 776727121 AZQSAUXHFRQJGW-NEPJUHHUSA-N 272.323 3.572 30 20 CHED C=CC[C@H](N[C@H]1C[C@H](OC)C1(CC)CC)c1ccncc1 776157072 NPFZBZXDMJPAQC-ULQDDVLXSA-N 288.435 3.882 30 20 CHED COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1F 1116377950 SUOJBAOCUZEAMH-MDWZMJQESA-N 268.287 3.657 30 20 CHED C#CCCCCCC(=O)N(C)CCCc1ccccc1 779846147 WXTYSGJNMRSQPQ-UHFFFAOYSA-N 271.404 3.661 30 20 CHED N#Cc1ccc(F)c(NC(=O)N(C2CCCC2)C2CC2)c1 888359320 HBGHPDZGGAQIQU-UHFFFAOYSA-N 287.338 3.636 30 20 CHED C[C@H](c1ccccc1F)N(C)C(=O)c1csc(C#N)c1 1124878666 PTSYAWPTENRZHZ-SNVBAGLBSA-N 288.347 3.592 30 20 CHED CC[C@H](Nc1cc(C#N)nc(C)n1)c1ccc(Cl)s1 882061883 UCLAZPGGWLYWJM-JTQLQIEISA-N 292.795 3.935 30 20 CHED CC(=O)c1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1 776374773 SJBAVKUGROBLJX-MRXNPFEDSA-N 285.343 3.518 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C)c(C)c2Cl)n1 1129269405 OQNIRGCFBQJHIN-UHFFFAOYSA-N 299.761 3.784 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc2ccncc12 1120813860 OTYNEZSATYKJLL-HNNXBMFYSA-N 280.371 3.806 30 20 CHED CC(C)(C#N)CNC(=O)CCc1ccc(C(C)(C)C)cc1 782098078 ANRUOKOLRJVNGD-UHFFFAOYSA-N 286.419 3.583 30 20 CHED C=C1CCC(C(=O)N[C@@](C)(C#N)C2CCCCC2)CC1 889657059 PLBMPEWRWBAQEE-KRWDZBQOSA-N 274.408 3.712 30 20 CHED C#CCC1(C(=O)N(CC)C[C@@H](C)CC)CCCCC1 788450448 JGCZBUDKPLFCFK-HNNXBMFYSA-N 263.425 3.855 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1csc(C#N)c1 1126755986 JJYYLGBVVNDNLL-ZWNOBZJWSA-N 276.405 3.564 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@H](C)c1cccs1 1123599430 XVCUBVXMGHUZAP-GFCCVEGCSA-N 251.395 3.870 30 20 CHED Cc1cc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)cc2cccnc12 783862898 HDUQSXZVJOXCEN-QRTARXTBSA-N 279.387 3.655 30 20 CHED CC1(C(=O)OCc2cc(C#N)ccc2F)CCCCC1 781267452 BHPGFLCOSTZUNZ-UHFFFAOYSA-N 275.323 3.711 30 20 CHED Fc1cccc(F)c1NN=Cc1ccc2cnccc2c1 782232515 RAVKDCWMVREKGA-UHFFFAOYSA-N 283.281 3.959 30 20 CHED Fc1cc(NN=C(Cc2ccccc2)C2CC2)ccn1 781134074 PUQUWHXVXSAOJR-UHFFFAOYSA-N 269.323 3.641 30 20 CHED C=C1CCC(C(=O)O[C@H](C)CC#Cc2cccnc2)CC1 1123062611 UGOJUZRDZLQLNP-OAHLLOKOSA-N 283.371 3.501 30 20 CHED CCO[C@@H]1CC(=NNc2ccnc(F)c2)C1(CC)CC 781130560 XWIRSEYJQAGIIO-CYBMUJFWSA-N 279.359 3.604 30 20 CHED CC(C)(C)C1CCC(C=NN[C@@H]2CCCOC2)CC1 780261554 JSHMXJCONLSNRY-YMAMQOFZSA-N 266.429 3.593 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1nc(O)c2ccccc2n1 783856090 WXFKRLZKWVXWSG-NWDGAFQWSA-N 284.363 3.559 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2ccc(Cl)c(C)c2)n1 1130814850 HJCGEZBAEVFKRC-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CC[C@H](OC1CCCC1)C(=O)OCCCC(C)(C)C#N 785936513 SAKREAKESRZVNN-AWEZNQCLSA-N 281.396 3.597 30 20 CHED Fc1cc(NN=C2CCC[C@@H](C(F)(F)F)C2)ccn1 783524779 QFLIQWHKQGDYHL-MRVPVSSYSA-N 275.249 3.741 30 20 CHED N#Cc1ccc(CN[C@H]2CCCCc3ccccc32)nc1 780328325 CJGHZKMEQWMAQL-SFHVURJKSA-N 277.371 3.511 30 20 CHED C=CCCCC(=O)OCc1cc(F)ccc1Cl 782280978 OZNMMECSKITTCX-UHFFFAOYSA-N 256.704 3.879 30 20 CHED CC[C@H]1CC[C@H](C(=O)OCC(=O)c2cccc(C#N)c2)CC1 782399953 DMTIAEBVTWXJNQ-CTYIDZIISA-N 299.370 3.501 30 20 CHED C=CCCCCCOC(=O)c1ccc(C(=O)OC)cc1F 784787466 JFPZIIPLCRJYSA-UHFFFAOYSA-N 294.322 3.516 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCC(C)(C)C1 781683759 CYWSMOCOKDDSSP-GFCCVEGCSA-N 289.350 3.603 30 20 CHED CCCc1cccc(/C=C2/CCc3nn(C)cc3C2=O)c1 794962759 WQKPQGQUFPOWOR-PTNGSMBKSA-N 280.371 3.585 30 20 CHED COc1ccc(N[C@H]2CC[C@@H](C#N)C2)c(Br)c1 799723448 JGPKKUHXYHUGAY-ZJUUUORDSA-N 295.180 3.562 30 20 CHED Cc1ccc(C(=O)/C=C\C(=O)Nc2cc(C)cc(C)c2)cc1 899928972 XKILPBLCLFDKFR-HJWRWDBZSA-N 293.366 3.989 30 20 CHED Cc1ccccc1[C@@H](O)CNc1ccc(Cl)cc1C#N 301225790 GFYZSBOIJYAZBI-INIZCTEOSA-N 286.762 3.666 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2)C1 303781680 CXORQMIKALLUNI-OCCSQVGLSA-N 271.364 3.649 30 20 CHED CC(=NNCC(F)F)[C@H](C)c1ccc(Cl)cc1 794515316 QWERNTXJQMUEPF-QMMMGPOBSA-N 260.715 3.674 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccc(C#N)o2)CC1 505460692 FCQWDHZGZKXUOB-UHFFFAOYSA-N 274.364 3.584 30 20 CHED CC1CC(Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 799738519 CNPGTOXLZYSGJK-UHFFFAOYSA-N 270.254 3.667 30 20 CHED C=C[C@H](Nc1ccc(SC(C)(C)C)cc1)C(=O)OC 799977393 FACWSXMXWXCOMO-ZDUSSCGKSA-N 279.405 3.717 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(Br)cc1 398292697 ZYPRLUJIVUSYGY-LLVKDONJSA-N 296.208 3.924 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1cc(F)ccc1F 794939865 UXXGHKSYDKPGAF-GQCTYLIASA-N 276.286 3.638 30 20 CHED C[C@@H]1CCC(=NNc2cccc(Cl)n2)[C@H](C)C1 793174958 OVFTWQXAGVNZMV-NXEZZACHSA-N 251.761 3.959 30 20 CHED C#Cc1cncc(C(=O)N2CCC[C@@H](C)c3ccccc32)c1 798247137 XUDKBSGOJKNYAZ-CQSZACIVSA-N 290.366 3.607 30 20 CHED N#Cc1ccc(CN2CC(C3CCCCC3)C2)c(F)c1 1206180456 OLYDKSJQNRYMLV-UHFFFAOYSA-N 272.367 3.709 30 20 CHED C#CC[C@H](OC(=O)c1cccc2oc(C)nc12)C(C)(C)C 798210731 HYYKYKYZZDFZTQ-AWEZNQCLSA-N 285.343 3.731 30 20 CHED C#CCCCCC(=O)N(C)[C@H]1CCCc2ccccc21 710294628 VQQYGSKOVCJAMF-KRWDZBQOSA-N 269.388 3.716 30 20 CHED Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1C#N 799302360 INHHDUQDWPYGPJ-UHFFFAOYSA-N 272.392 3.811 30 20 CHED C#Cc1cccc(NCc2ccc(C)c(OC)c2)c1 194409229 BZEZFRZAHCEZIU-UHFFFAOYSA-N 251.329 3.597 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1OC(F)(F)F 799739180 RLJPEPUAHGZYMQ-MWLCHTKSSA-N 295.264 3.561 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc(C(F)F)cc1 794538405 RSJUCZUFTQZATH-UHFFFAOYSA-N 290.317 3.984 30 20 CHED CCCCCCCN[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 686221671 RHXBTKLKMAXYIK-CQSZACIVSA-N 298.471 3.802 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1 1219799024 CBDBHAXYEIUVEH-BXUZGUMPSA-N 289.354 3.788 30 20 CHED C=CCN(Cc1nc(Cl)ccc1Cl)C(C)C 766110006 PDFHZWUEMBYGBR-UHFFFAOYSA-N 259.180 3.785 30 20 CHED N#Cc1ccc2[nH]c(-c3coc4ccccc34)nc2c1 96874467 NMLKZMWMBJBLCB-UHFFFAOYSA-N 259.268 3.848 30 20 CHED Cc1nsc(N2CCC[C@H](C(C)(C)C)CC2)c1C#N 1306966392 RYZWUPRRLMNXGP-LBPRGKRZSA-N 277.437 3.976 30 20 CHED C[C@H](NC(=O)CC#Cc1ccccc1)c1cccc(F)c1F 1319647482 DGJXNYMHKSUACE-ZDUSSCGKSA-N 299.320 3.584 30 20 CHED N#Cc1cccc(-c2nnc(C[C@H]3C=CCCC3)o2)c1 1325807408 RYYZSDNGNFCISO-LBPRGKRZSA-N 265.316 3.507 30 20 CHED CC(=NNC(=S)NC(C)C)[C@H](C)c1ccc(Cl)cc1 1326862959 HKRONFLJPIKUCK-JTQLQIEISA-N 297.855 3.692 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2ccc(F)cc2)s1 1324017635 YQRGTMZWLAIXCI-CQSZACIVSA-N 291.391 3.845 30 20 CHED CCC(C)(CC)c1nnc(-c2cccc(C#N)c2)o1 1325828164 OAKGVPYGICITLO-UHFFFAOYSA-N 255.321 3.686 30 20 CHED C[C@H](NC(=O)CC#Cc1ccccc1)[C@H](C)c1ccccc1 1323877409 ZNVITDKOEOAMGC-IRXDYDNUSA-N 291.394 3.737 30 20 CHED Cc1ccc(C#N)c(S[C@@H]2CCc3ccccc3C2)n1 1186999758 VKGNAVMXXBGEHD-MRXNPFEDSA-N 280.396 3.911 30 20 CHED CC(C)(C)ON=Cc1ccc(N2CCCCC2)cc1 1320326013 VJDQLPOSAOVBCQ-UHFFFAOYSA-N 260.381 3.826 30 20 CHED C(=NOCc1ccccc1)c1nc(-c2ccccc2)c[nH]1 1327497219 WYHIZHQTUXNMJD-UHFFFAOYSA-N 277.327 3.627 30 20 CHED Cc1nc(N(CC2CCCCC2)C2CC2)ccc1C#N 1184957517 GATIKAFFHAFPCU-UHFFFAOYSA-N 269.392 3.811 30 20 CHED C=CC[C@H](NC1CCC(C)(c2ccccc2)CC1)C(=O)O 1331950728 MUDFYEHREZMEPE-PQUAAJSLSA-N 287.403 3.506 30 20 CHED CCC1(CNC(=O)CC#Cc2ccccc2)CCCCC1 1337944795 WPACOLWDYHVRHT-UHFFFAOYSA-N 283.415 3.905 30 20 CHED Cc1ccccc1Cc1nnc(-c2cccc(C#N)c2)o1 1258376241 WBEFKNARVZSTSK-UHFFFAOYSA-N 275.311 3.508 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)CC#Cc1ccccc1)C1CC1 1252963682 VLDFUYGKXFXVGD-HZPDHXFCSA-N 283.415 3.854 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)CC#Cc1ccccc1 1261335824 JWECPBWSQNKBPB-INIZCTEOSA-N 269.388 3.679 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@H](C)CCCC(F)(F)F 1343309400 NKVDKOWTUOTKTJ-IJLUTSLNSA-N 294.313 3.632 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2ccsc2C#N)c1 1266818972 SAHVBACNYZNEHW-GFCCVEGCSA-N 284.384 3.728 30 20 CHED Cc1c(C#N)c(NC(=O)[C@H]2CCC[C@@H](F)C2)n2ccccc12 1262090452 QRKTYAZTMABZMA-QWHCGFSZSA-N 299.349 3.586 30 20 CHED Cc1cccc(Cl)c1C(=O)Nc1ccc(C#N)cc1 1349950629 DRMTZDLNYSEJEK-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C=C(C)Cn1c(N2CCC[C@H](C)CC2)nnc1C(C)(F)F 1345923359 JCUIWESIEPNTHR-LBPRGKRZSA-N 298.381 3.592 30 20 CHED CC(C)c1ccccc1C(=O)Nc1ccc(C#N)c(C#N)c1 1265433203 PRWGGFYOVLHGLD-UHFFFAOYSA-N 289.338 3.806 30 20 CHED CC(C)Cn1c(N(C)c2ccccc2)nnc1C(C)(C)C#N 1263421482 TYDODYWPQQIMPM-UHFFFAOYSA-N 297.406 3.503 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1ccc(CC#N)cc1 1348910105 LCZBFRMSLBWSDO-UHFFFAOYSA-N 282.318 3.761 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)C1 1343401322 VYPBNACURHZDPR-WISYIIOYSA-N 289.297 3.591 30 20 CHED CS(C)(=O)=Nc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 1350338485 NJYHZCRTQXDFNX-QWHCGFSZSA-N 291.420 3.540 30 20 CHED C=CC[C@@H]1CCCN(c2nnc([C@@H](C)SC)n2CC)C1 1356427136 BMBCXZPUSIAOQP-CHWSQXEVSA-N 294.468 3.515 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 1517991936 IDVSFVDLUGQVFD-LLVKDONJSA-N 283.293 3.564 30 20 CHED C=CC[C@H](OC(=O)c1ocnc1CC)c1ccccc1 1518232178 DOCZTOQKXNKAQZ-AWEZNQCLSA-N 271.316 3.711 30 20 CHED CCOc1ccc(CSc2cccc(F)c2C#N)nc1 1459110893 RTYJQJUSPYKXLY-UHFFFAOYSA-N 288.347 3.783 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2cc(C#N)ccc2F)c1 1526280854 JRXRKCKKRWIRCK-UHFFFAOYSA-N 282.318 3.591 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCCC[C@@H]1C(C)C 1520766923 YUZZRGWKOXMRRN-OAHLLOKOSA-N 274.364 3.501 30 20 CHED CCC(C)(C)c1ccc(CN2CC[C@@](F)(C#N)C2)cc1 1459949555 JRUCHPGUPRWLHV-QGZVFWFLSA-N 274.383 3.812 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@@H](C)C[C@H](C)C1 1539773473 ZYWAAEDVQCECTQ-RYUDHWBXSA-N 296.846 3.636 30 20 CHED Cc1ccccc1[C@@H](C)NCc1cccc(C#N)c1F 221955883 HVRLWEAJSCBWQD-CYBMUJFWSA-N 268.335 3.857 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(C(F)F)cc2F)c1 1530020729 JPEXDOZZGKLNSG-UHFFFAOYSA-N 290.244 3.887 30 20 CHED C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C1CCCCCC1 1538151399 ZRYMCLWMYHOAIS-GFCCVEGCSA-N 288.366 3.786 30 20 CHED C=C(Br)CN(CC)[C@H]1CCCC[C@H]1C 1617217014 PODMERSDNNCKMS-PWSUYJOCSA-N 260.219 3.796 30 20 CHED CC[C@@H](C)CSc1ncc(C#N)cc1Br 1639635443 WZFOJKXGWOWLGX-MRVPVSSYSA-N 285.210 3.854 30 20 CHED Cc1nc(C#N)cc(Sc2ccc3c(c2)CCCC3)n1 1642819766 DIAGMECIADDWFQ-UHFFFAOYSA-N 281.384 3.687 30 20 CHED Cc1ccc(CCNc2ccc(C#N)c(C)n2)c(C)c1 1642146140 JLJXAMJKVWZNTA-UHFFFAOYSA-N 265.360 3.533 30 20 CHED Cc1c(Cl)cnc(NCC2(C(C)C)CC2)c1C#N 1642364646 DQZBAZVXDZPBCZ-UHFFFAOYSA-N 263.772 3.763 30 20 CHED N#Cc1ncccc1SCc1ncc(-c2cccs2)o1 1651983932 JXJMDNKFMOONSI-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C#C[C@@H](NCc1cccc(C(=O)O)c1)c1ccc(Cl)cc1 1588385342 DYDLOPZFUUYKJO-MRXNPFEDSA-N 299.757 3.502 30 20 CHED C=CC[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)O 1588758984 MXVIUTLXGBAVAQ-QMMMGPOBSA-N 271.407 3.562 30 20 CHED C=C(CN[C@@H](C)CC(C)(C)CC(=O)O)c1ccccc1 1588637178 JTHYXCQJFIXMLB-AWEZNQCLSA-N 275.392 3.569 30 20 CHED N#CCc1cccc(Nc2ncncc2-c2ccccc2)c1 1651857724 AAUUICVEOIDNOV-UHFFFAOYSA-N 286.338 3.953 30 20 CHED Cc1ccnc(COc2c(C)cc(Cl)cc2C#N)c1 1652050804 NWYMCZZZFOGDAC-UHFFFAOYSA-N 272.735 3.803 30 20 CHED C[C@H](Sc1cccnc1C#N)c1ccc(C#N)cc1 1651984104 OEYXHCSWWNQVGM-NSHDSACASA-N 265.341 3.678 30 20 CHED CC[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CC1(C)C 1651957520 OIDXVDGMJKFWPB-SFYZADRCSA-N 269.801 3.905 30 20 CHED N#Cc1c[nH]ccc1=N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 1655579358 PGHZNHAYEIBVMI-XJKSGUPXSA-N 297.789 3.777 30 20 CHED CC(C)c1ccc(C=NOCc2ccc(C(=O)O)o2)cc1 1591953345 YERCSXAGUMPBSX-UHFFFAOYSA-N 287.315 3.652 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1sccc1C#N 1673279323 SGRNGOYLQCCBDA-JQWIXIFHSA-N 277.393 3.710 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc2ccccc2c1C 1776149221 WDWLRZCKZKCRDH-MRXNPFEDSA-N 283.371 3.657 30 20 CHED Cc1cccc(C)c1C=NNc1ccc(C(=O)O)c(F)c1 1776074690 NSQPKOMDZMIRJN-UHFFFAOYSA-N 286.306 3.587 30 20 CHED CC1(C)CCC/C(=C/c2ccc(/C=C\C(=O)O)cc2)C1=O 1776548609 PBSJNJTWPVTLHV-UWAUXONXSA-N 284.355 3.947 30 20 CHED C#Cc1cccc(NCc2noc(C3CCCCC3)n2)c1 161189084 BOXWLSJNEXIQOR-UHFFFAOYSA-N 281.359 3.711 30 20 CHED C=CCN(C(=O)c1cccc(OC(C)C)n1)c1ccccc1 165497020 USXAVIXOFZIQOM-UHFFFAOYSA-N 296.370 3.702 30 20 CHED CO[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 157529558 OCUFZWLIOOQORE-KGLIPLIRSA-N 298.308 3.947 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1F)C(C)C 155130643 FFOWESZYIWATPS-QMTHXVAHSA-N 282.334 3.536 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 156172773 FTOYSJIZIBNPEF-SNVBAGLBSA-N 286.297 3.642 30 20 CHED CCCCc1ccc(NC(=O)N[C@H](CC)CC#N)cc1 155448435 VHXRXXZFVACORE-CQSZACIVSA-N 273.380 3.843 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(Cl)cc1OCC 156894386 FHRFRUHQFGTUHT-LLVKDONJSA-N 296.798 3.503 30 20 CHED COc1cc(CN(CC(C)C)CC(C)C)ccc1C#N 234806156 MIDYOERSWRARFL-UHFFFAOYSA-N 274.408 3.681 30 20 CHED CC(=O)Nc1ccc(NCC(C)(C)CCC#N)cc1C 135157637 UQYFOHQKPSDBSE-UHFFFAOYSA-N 273.380 3.695 30 20 CHED N#C[C@@H](NC(=O)c1ccc(Cl)c(F)c1)C1CCCCC1 157386584 KUWXSKZGWZDKMK-CQSZACIVSA-N 294.757 3.681 30 20 CHED CC(C)OCCCNc1ccc(C(F)(F)F)c(C#N)c1 164981579 YNQOYJLLTLLKQT-UHFFFAOYSA-N 286.297 3.804 30 20 CHED CC(C)CC[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 49000002 CYZAOPXMRKUXEP-NSHDSACASA-N 261.325 3.703 30 20 CHED N#Cc1ccc(Sc2cccnn2)cc1C(F)(F)F 561269089 LPPKPWGUICIIMT-UHFFFAOYSA-N 281.262 3.518 30 20 CHED C#CCN(C(=O)CCCc1cccs1)C1CCCCC1 65777496 SZZDWVYMKZFTIJ-UHFFFAOYSA-N 289.444 3.865 30 20 CHED CC[C@H]1CCCC[C@@H]1CNCc1ccc(C#N)cc1 401734963 FXYXICBLQZBFAT-DLBZAZTESA-N 256.393 3.864 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCC1CCCC1 78833594 XUWJWFFXMZTHCI-UHFFFAOYSA-N 269.270 3.574 30 20 CHED N#Cc1cccnc1NCc1c(Cl)cccc1Cl 519887629 CZNOBIRLVODLNU-UHFFFAOYSA-N 278.142 3.872 30 20 CHED N#Cc1ccc(CNCCc2cccc(Cl)c2)c(F)c1 532990069 OZRVPCRZDCGWLM-UHFFFAOYSA-N 288.753 3.683 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCC23CCCC3)c1 353279997 UFTPVBJSHGEIMV-OAHLLOKOSA-N 258.340 3.510 30 20 CHED N#CCC1CCN(Cc2ccc(Br)s2)CC1 334220568 RUNRDHNQVFAOIY-UHFFFAOYSA-N 299.237 3.636 30 20 CHED C[C@@H]1CN(c2nccc(C#N)c2Cl)[C@H]1c1ccccc1 553406964 SMGPVEMRHDYXAM-IAQYHMDHSA-N 283.762 3.804 30 20 CHED C#C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C(C)(C)C 491737180 LDTCFHXGDZXNRM-SRVKXCTJSA-N 289.341 3.519 30 20 CHED C#CCCCCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714395644 VMLXRMYWQKMPIF-HRCADAONSA-N 261.409 3.513 30 20 CHED Cc1cc(OC[C@@H](O)c2cccc(Cl)c2)ccc1C#N 766052281 QVWREJLDCZMYLC-MRXNPFEDSA-N 287.746 3.633 30 20 CHED C=CCCCCn1cc(NC(=O)OC(C)(C)C)cn1 853737441 FQCJMOYJUHMTHH-UHFFFAOYSA-N 265.357 3.586 30 20 CHED N#Cc1cccnc1NC[C@H]1CCCC[C@H]1C(F)(F)F 288518162 NLKWGIVBDIWILS-VXGBXAGGSA-N 283.297 3.734 30 20 CHED Cc1ccc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1C 7222909 FPHATNLYILCMOS-AWEZNQCLSA-N 293.370 3.614 30 20 CHED C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(C#N)CC1 57872839 NKWDMBYODMQLHJ-JTQLQIEISA-N 266.747 3.776 30 20 CHED Cc1ccccc1CCNc1snc(Cl)c1C#N 51323727 WSTWNYODVJXNEC-UHFFFAOYSA-N 277.780 3.631 30 20 CHED N#CC1CCN(C2c3ccccc3-c3ccccc32)CC1 57907385 DLVIMQGFYRGNEK-UHFFFAOYSA-N 274.367 3.992 30 20 CHED C=CCn1c(SCCC)nc2cc(Cl)ccc2c1=O 58085060 KEKGFFJKQTZRPZ-UHFFFAOYSA-N 294.807 3.738 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CC=CCC1 56212720 JNJONMRNJLYCGQ-AWEZNQCLSA-N 284.359 3.640 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(C)nc1C)c1ccccc1 179085611 NWEOBUSKCSFZDN-OAHLLOKOSA-N 280.371 3.997 30 20 CHED N#Cc1ccccc1OCc1cccc(OC(F)F)c1 64853873 AAVRYGPDBKPSSB-UHFFFAOYSA-N 275.254 3.739 30 20 CHED Cc1ncc(/C=C/C(=O)O[C@H](C)c2ccc(C#N)cc2)s1 175766085 GSSQBWALPPNGGZ-WSKFYRRCSA-N 298.367 3.641 30 20 CHED C=C(Cl)CSCc1csc([C@@H](C)OC)n1 177903172 RVTJVPXQMJHSFN-MRVPVSSYSA-N 263.815 3.836 30 20 CHED CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 107781936 UARGGOSJIHAUPX-ZWKOTPCHSA-N 292.382 3.705 30 20 CHED CCC(CC)CN(CCC#N)C(=O)Cc1ccc(C)cc1 104543929 PANDXFBNJXJYPS-UHFFFAOYSA-N 286.419 3.716 30 20 CHED C[C@H](CC#N)NC(=O)CC1CCC(c2ccccc2)CC1 108263325 ZAMLUGUGLTWACD-HPUBIQBYSA-N 284.403 3.769 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2)c(OC)c1OC 117037085 WWYKTTKHXLXWAU-LUAWRHEFSA-N 298.338 3.609 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](CC)c1ccc(C)cc1 69323246 PEEQYPPUTXFCMB-GOEBONIOSA-N 275.392 3.544 30 20 CHED Cc1ccccc1CN(C)c1snc(Cl)c1C#N 51225992 FFNNGVSFJDSMOU-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c(C)cccc1Cl 174425888 GHSMNJGXXPYNNK-LLVKDONJSA-N 267.756 3.568 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)NCCCCC#N 172133902 VBHIMCKSVKKZBP-HNNXBMFYSA-N 287.407 3.691 30 20 CHED Cc1ccccc1-c1nc(C(=O)O[C@H](C#N)C2CC2)cs1 177037865 CVXXBOIOPIVJPE-CQSZACIVSA-N 298.367 3.578 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(Cl)ccn1 112183651 IEHXQAQMJHLMCX-UHFFFAOYSA-N 292.810 3.944 30 20 CHED CC(C)(CNCc1ccc(C#N)o1)c1ccccc1Cl 174344495 DPQIPBDZGOFCHZ-UHFFFAOYSA-N 288.778 3.872 30 20 CHED C#CCCCNC(=O)Nc1ccccc1C(C)(C)C 174422914 WLLYCILNICRJRG-UHFFFAOYSA-N 258.365 3.519 30 20 CHED C=C(Br)CSc1ccc(C#N)cc1 306367740 BLIMNLLNQMEMPW-UHFFFAOYSA-N 254.152 3.559 30 20 CHED CCc1nc(NCc2cccc(C#N)c2)c2ccsc2n1 301807996 CKCQCPFPZOGHIE-UHFFFAOYSA-N 294.383 3.737 30 20 CHED C=CC1CCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 110968699 MPAVKDYUZQTEPD-UHFFFAOYSA-N 268.360 3.515 30 20 CHED C[C@H]1SCC[C@H]1Nc1ccc(C#N)c(Br)c1 304411993 YCFRBSDWACRULE-PRHODGIISA-N 297.221 3.627 30 20 CHED Cc1cccc(N(C)Cc2ccc(F)c(C#N)c2)c1 229749738 ZCAUJPKLSBWVRA-UHFFFAOYSA-N 254.308 3.642 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)cc1 110718126 LVWKQYNNNZORSN-GDBMZVCRSA-N 270.376 3.647 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cccc2cccnc12 26329081 SQISACZFKXSPKN-UHFFFAOYSA-N 287.366 3.738 30 20 CHED Cc1nc(C)c(C#N)c(SCc2ccccc2Cl)n1 29673170 PNJZIXNLKBCDOS-UHFFFAOYSA-N 289.791 3.911 30 20 CHED Cc1ccccc1C/N=C(/N)Nc1cccc2c1CCCC2 304660956 JROBTDODKNFEPP-UHFFFAOYSA-N 293.414 3.801 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](C)CSC)c1 66771589 RYBFFCBTQXPTNM-GFCCVEGCSA-N 279.405 3.579 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C(C)=C1CCC1 1261259596 NAURWYOIWYOJQM-UHFFFAOYSA-N 283.375 3.819 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCc2occc21 178538910 BSFGPMJEJOREQN-OAHLLOKOSA-N 295.342 3.659 30 20 CHED Cc1cc(F)ccc1[C@@H](C)NCc1cccc(OCC#N)c1 1343926665 IMGOQPDDNXPHOJ-CQSZACIVSA-N 298.361 3.887 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1cccc(F)c1C#N)CO2 301684769 UZUUDPNMMHOUKB-OAHLLOKOSA-N 268.291 3.551 30 20 CHED COc1ccc(N(C)CCCC(C)(C)C#N)cc1F 121790240 QVPIIMPRECEYRX-UHFFFAOYSA-N 264.344 3.600 30 20 CHED C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 185845553 SXACRZXZJIOVKV-VYDXJSESSA-N 294.402 3.605 30 20 CHED N#Cc1ccc(CN(Cc2ccc(C#N)s2)C2CC2)cc1 180030376 ZPGQDXZOFOIASZ-UHFFFAOYSA-N 293.395 3.656 30 20 CHED Cc1cnc([C@@H](C)NC2CC(C#N)(c3ccccc3)C2)s1 124007678 XWLYYEIGPOWEHG-BZOOQXSSSA-N 297.427 3.726 30 20 CHED N#Cc1cccc(C#N)c1NCc1ccc(C(F)F)cc1 302898771 RZKBYRDGNWFNJM-UHFFFAOYSA-N 283.281 3.980 30 20 CHED C[C@H](C(=O)N(CCC#N)CC(C)(C)C)c1cccs1 78119550 GOBMWNQLLIEJQU-LBPRGKRZSA-N 278.421 3.640 30 20 CHED C=CCC[C@@H](N[C@H](CCCO)c1ccccc1)C1CC1 121322032 UZIJNFDOXADSIY-QZTJIDSGSA-N 273.420 3.835 30 20 CHED CC(C)[C@H](C)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 75297956 XZXCRYMLTKCAHO-XIRDDKMYSA-N 284.403 3.577 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCCc2ccc(C)cc21 188698032 OVWXXDKQSWQWLD-SFHVURJKSA-N 287.403 3.503 30 20 CHED C#CCCCCC(=O)Oc1cccc(OC(F)(F)F)c1 187778750 OCZDBYCLHQEWKI-UHFFFAOYSA-N 286.249 3.684 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 180287239 AELBJRJGJAYPES-YOEHRIQHSA-N 287.378 3.929 30 20 CHED CCCC[C@@H](C)COS(=O)(=O)c1ccc(C)cc1 77303445 AOWAQOSWMSVFSV-CYBMUJFWSA-N 270.394 3.527 30 20 CHED CN(CCC(F)(F)F)CCC1(C#N)CCCCC1 411214198 OHZIJVRCVQEDMX-UHFFFAOYSA-N 262.319 3.735 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1csc(Cl)c1 414161303 FEFTVNPMQSDUMX-SECBINFHSA-N 256.802 3.992 30 20 CHED Cc1ccc(-c2nc(CSCCC#N)co2)cc1 413016189 VNEWAUDZSXPRKH-UHFFFAOYSA-N 258.346 3.797 30 20 CHED C=CCSCC/N=C/c1c(O)ccc2ccccc12 180199265 BMVXNSIRLZUPLL-SFQUDFHCSA-N 271.385 3.884 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@@H]1C=CCCC1 187100411 IFXAPNOOAVYFGR-CYBMUJFWSA-N 284.359 3.642 30 20 CHED N#C[C@@]1(NC(=O)CC2CCCCC2)CCc2ccccc2C1 183944979 FYEZUFGGHPLDSV-LJQANCHMSA-N 296.414 3.524 30 20 CHED C=CC[C@H](C(=O)Nc1cc(C)ccc1O)c1ccccc1 187268637 GJNYZVOMGLYTRV-HNNXBMFYSA-N 281.355 3.999 30 20 CHED COc1cc(C#N)cc(OCCC2(C#N)CCCCC2)c1 418965006 RRPWLORMUZFJJF-UHFFFAOYSA-N 284.359 3.810 30 20 CHED C=CCN(C(=O)c1c(F)cccc1F)c1ccccc1 78906002 LBRJXGRKXWZQMS-UHFFFAOYSA-N 273.282 3.798 30 20 CHED CN(C(=O)CCCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 416004316 GQXJMEHCXJUMJB-IAGOWNOFSA-N 284.403 3.865 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)Cc2ccccc21 211750930 VMUBXAXHUBOVNG-LUAWRHEFSA-N 256.251 3.787 30 20 CHED CC[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412148918 AZYABKZRNMJXOP-FGTMMUONSA-N 296.414 3.843 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](c1ccncc1)C(C)C 503946695 RKTGWFMUTTZLGU-ZBFHGGJFSA-N 274.408 3.682 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N(CC#N)C2CCCC2)C1(C)C 78208333 ZHKXZNOCHGPHAQ-CABCVRRESA-N 274.408 3.520 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nccc2sccc12 189201846 IYKAMLTWXWMZMD-AWEZNQCLSA-N 260.362 3.837 30 20 CHED CN(c1ccccc1)c1cc(NCC(C)(C)CC#N)ncn1 413414015 UUMAASQZPDXHEY-UHFFFAOYSA-N 295.390 3.596 30 20 CHED C=CCC1(C(=O)N2CCc3ccc(Cl)cc3C2)CCC1 189859906 DUWIDSHOCXRBNZ-UHFFFAOYSA-N 289.806 3.971 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 131064233 UMDIFVZAUDPMAJ-VXGBXAGGSA-N 295.308 3.800 30 20 CHED Cc1noc(C)c1C(C)(C)/N=C(/O)[C@@H]1C[C@@H]1C1CC1 329187834 BHKMEBGUMUVCPR-VXGBXAGGSA-N 262.353 3.529 30 20 CHED C=CCN(CC=C)Cc1cccc(OCC)c1OC(F)F 505899383 WHDMRODXMQPAMX-UHFFFAOYSA-N 297.345 3.861 30 20 CHED CCc1cc(OC)ccc1CN(C)Cc1ccc(C#N)cc1 503958292 PJULXBQYBUQQDW-UHFFFAOYSA-N 294.398 3.761 30 20 CHED C[C@@H](CCC#N)N1CCc2[nH]c3ccc(Cl)cc3c2C1 411364456 LNQFNVAEXFMUIJ-NSHDSACASA-N 287.794 3.872 30 20 CHED C[C@H](Sc1ccccc1Cl)C(=O)OCCCC#N 194086891 RIVFQJNCUKBFCL-JTQLQIEISA-N 283.780 3.668 30 20 CHED Cc1cc(OC(=O)CSCC#N)c(C(C)C)cc1Cl 192504952 IXWCLDODWOEPBE-UHFFFAOYSA-N 297.807 3.934 30 20 CHED C[C@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 410924923 FOKDQTHZDOKGJH-VIFPVBQESA-N 276.405 3.902 30 20 CHED Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1 46062199 VSXNWMPXVOICJK-UHFFFAOYSA-N 279.343 3.531 30 20 CHED COc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)cc1C#N 87833186 OMRKHGDNDSMFRP-JKSUJKDBSA-N 284.403 3.579 30 20 CHED C=CCN(C[C@@H](OC(C)C)c1ccccc1)C1CC1 428288915 IKKDXGSPBODTCO-QGZVFWFLSA-N 259.393 3.803 30 20 CHED O/C(=N/[C@@H]1CCCC(F)(F)C1)c1cc(O)nc(C2CC2)c1 329995914 NZDYILVRZKNPET-LLVKDONJSA-N 296.317 3.547 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)c1ccccc1 131651469 FTNPODIXKKDCAO-KBPBESRZSA-N 294.354 3.720 30 20 CHED CC(F)(F)CNc1cc(C#N)ccc1C(F)(F)F 516958176 HSPUDHXEYODWAX-UHFFFAOYSA-N 264.197 3.644 30 20 CHED CC(C)[C@@H]1CCC[C@@H](/N=C(/O)[C@H]2CCCC(O)=N2)C1 328822203 RKURQNBVGWYXHB-JHJVBQTASA-N 266.385 3.667 30 20 CHED C[C@H]1C[C@@H](C)CN1c1ccc(C(F)(F)F)cc1C#N 133206242 HGLIWFHARHHYNO-ZJUUUORDSA-N 268.282 3.812 30 20 CHED O/C(=N/[C@H]1CCCc2occc21)c1ccnc(C2CC2)c1 329318820 FVYFPAFZGQRFFI-AWEZNQCLSA-N 282.343 3.934 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)CCc1ccc(OC)cc1 429808222 LMUGRSKXHBZLBW-AWEZNQCLSA-N 289.419 3.735 30 20 CHED N#Cc1cc(NCc2cccc(OC(F)F)c2)ccc1F 191841387 KLCULJJIGQOVGC-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=C(C)COc1cccc(NC(=O)NCC2(CC)CC2)c1 429079061 KXDGUUSVTLCMKF-UHFFFAOYSA-N 288.391 3.953 30 20 CHED N#Cc1ccc(F)c(CNCc2cccc(Cl)c2)c1 51770465 IBLKYROYYIQGCR-UHFFFAOYSA-N 274.726 3.641 30 20 CHED N#Cc1cc(Cl)ccc1CN1C[C@H]2CCC[C@@H](C2)C1 511830229 PGEHDELBQGTLOE-STQMWFEESA-N 274.795 3.834 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)C1CC1)c1ccc(Cl)c(Cl)c1 331832487 JRGZSWGAJVHKIK-OQPBUACISA-N 297.185 3.515 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCCC2)c2cccnc12 194331393 DJFGVKRCQNSZLK-UHFFFAOYSA-N 293.370 3.956 30 20 CHED Cc1ccc(C(=O)Nc2cc(CC#N)ccn2)c(Cl)c1C 336228793 UGLFCPYWFXVVBV-UHFFFAOYSA-N 299.761 3.670 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2cccc(C#N)c2)C1 336146694 PILBDDHZGHACTI-KSSFIOAISA-N 277.371 3.536 30 20 CHED C=C(CNC(=O)N(CCC)CCC)c1ccccc1 512680671 DZHNSFCHZMQMCW-UHFFFAOYSA-N 260.381 3.531 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2F)cc1 336064011 GKCTYQICXZGOGO-UHFFFAOYSA-N 282.318 3.879 30 20 CHED CC[C@H](C)n1ncc(N=C(O)[C@H]2CCC(=O)C[C@@H]2C)c1C 330091346 XRKVHFUNPMZEDG-MJVIPROJSA-N 291.395 3.756 30 20 CHED C=CCNc1cc(Cl)c(OCCOC)c(Cl)c1 90997117 NFZOYRNTOYPBTA-UHFFFAOYSA-N 276.163 3.617 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(C(F)F)cc2)n1 338862920 SHUNSHVIYZLPIW-LLVKDONJSA-N 292.310 3.879 30 20 CHED CCc1cccnc1NCc1ccc(F)c(C#N)c1Cl 428860014 FEWDNTOFETZZBW-UHFFFAOYSA-N 289.741 3.920 30 20 CHED Cc1ccc(C[S@@](=O)Cc2ccccc2C#N)cc1C 339154468 PTNKPTDPOIYOQQ-HXUWFJFHSA-N 283.396 3.624 30 20 CHED CC(C)N(C(=O)c1ccc(F)c(C#N)c1)c1ccccc1 335943745 AYROJEDAVJRSRO-UHFFFAOYSA-N 282.318 3.753 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1nc2ccccc2s1 337089087 IESTZRYAICYJGQ-GFCCVEGCSA-N 288.416 3.700 30 20 CHED O=C1/C(=C\c2ccccc2)CCc2cc(O)ccc21 96315802 RLOCYFFTXGLYGZ-UVTDQMKNSA-N 250.297 3.605 30 20 CHED COC(C)(C)C[C@H](C)/N=C(/O)c1csc(C(C)(C)C)n1 330872849 HLIGOCGKUBLZCV-JTQLQIEISA-N 298.452 3.949 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1 336278667 FFMUOUPECBNWPM-CZUORRHYSA-N 297.402 3.894 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCC1CCCCCC1 435742062 LQOQCQMCBJLHEQ-HZPDHXFCSA-N 251.414 3.528 30 20 CHED CC(C)(C)CCCCNCc1cc(C#N)cs1 236605428 DOBNFGRPVJAOES-UHFFFAOYSA-N 250.411 3.926 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)CC1(CCC1)CC2=O 333156728 LGOZPQXAYICEEP-UHFFFAOYSA-N 276.339 3.714 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1cccc(Oc2ccccc2)c1 431528012 IMLCRGJWPFYUTQ-GOSISDBHSA-N 297.354 3.745 30 20 CHED C=C[C@@H](C)NC(=O)N1CC=C(c2ccc(CC)cc2)CC1 93136366 RSDXBTQEXNORAO-CQSZACIVSA-N 284.403 3.622 30 20 CHED CC#CCCNC(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C 434371527 DWPUGKKCKYIUHU-MRXNPFEDSA-N 290.382 3.578 30 20 CHED C=CC[C@H](CC)Nc1ncnc2c1cnn2-c1ccccc1 344553487 OVKIQDPVSVUQPZ-ZDUSSCGKSA-N 293.374 3.582 30 20 CHED CC[C@@H](C)n1[nH]c(=N[C@H](C)c2cccc(C#N)c2)cc1C 525951851 ATVBCJHXJCAPSI-TZMCWYRMSA-N 282.391 3.629 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(OCC)cc1 246067506 XJLPMUROTAJDRU-FUHWJXTLSA-N 289.419 3.549 30 20 CHED C[C@H]1COc2ccccc2CN1Cc1ccc(CC#N)cc1 343752425 KHTGXOQBPTZVLB-HNNXBMFYSA-N 292.382 3.536 30 20 CHED C=CCc1ccc(OCc2ccc(F)cn2)c(OC)c1 344726649 MYQNVDFZVLZPSE-UHFFFAOYSA-N 273.307 3.537 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@](C)(CC)C2)cc1 344336211 MOWFRRYRNDQFGH-QGZVFWFLSA-N 273.376 3.514 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[C@H](C#N)C(C)C 343677319 UCSFHNFPTLEQQU-IJEWVQPXSA-N 284.403 3.640 30 20 CHED C=C[C@@H](CC(=O)Nc1cnn(C(F)F)c1)c1ccccc1 343573479 OEACPKIMGBJMQV-NSHDSACASA-N 291.301 3.577 30 20 CHED CCOC(=O)[C@H](Sc1ccccc1C#N)C(C)(C)C 600525936 XWXCPNNVVJXUBJ-ZDUSSCGKSA-N 277.389 3.628 30 20 CHED Cc1sc(NC(=O)c2ccccc2CC#N)nc1C(C)C 601665707 JJXPVDXVUSXZIV-UHFFFAOYSA-N 299.399 3.893 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)Nc1ccc(CC#N)cc1 602775361 IQWRTYCUGOGSHZ-LBPRGKRZSA-N 271.364 3.547 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](Cc2ccc(F)cc2)C1 602469124 ADADDMBIEJOXIZ-HOCLYGCPSA-N 274.383 3.630 30 20 CHED N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCc2cc(F)c(Cl)cc21 600144693 MTPAHUZGUSJCQC-NZVBXONLSA-N 278.758 3.748 30 20 CHED C/C=C(/C)C(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 255870519 PWLQBBRWVCVRLX-QTHPLCAKSA-N 298.386 3.814 30 20 CHED C=CCC[C@H](N[C@@H]1CCOc2ccc(OC)cc21)C1CC1 344122191 XZPYHMVJPQHCSU-DLBZAZTESA-N 287.403 3.853 30 20 CHED CCOc1ccccc1CN(C)Cc1ccc(CC#N)cc1 342690772 GUDSMYWBZVNMCE-UHFFFAOYSA-N 294.398 3.783 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(F)cc3)[nH]c12 345395476 FICOYTKDQCNATD-ZDUSSCGKSA-N 293.301 3.501 30 20 CHED CCOCc1cc(/C=C/c2ccncc2C#N)ccc1OC 349106310 IALKSXMCVGNQAM-GQCTYLIASA-N 294.354 3.669 30 20 CHED Cc1cnc(C2CCN(C[C@H](C)CCC#N)CC2)s1 602631126 DNAGDJLBRAPHFC-GFCCVEGCSA-N 277.437 3.571 30 20 CHED Fc1ccc(C=NOCc2ccc(OC(F)F)cc2)cc1 255448977 AAEXNCMNBWJJRV-UHFFFAOYSA-N 295.260 3.978 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](c1ncc(C)s1)C1CC1 341600707 WDGDIUIYTGVDGE-CHWSQXEVSA-N 293.436 3.557 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 528286821 ORTLUWSHEWKIHK-MORSLUCNSA-N 296.414 3.587 30 20 CHED C[C@@H](CCC#N)CN(C)CCc1ccc(Cl)cc1 602456793 YNJQAJJOCUYCHQ-ZDUSSCGKSA-N 264.800 3.754 30 20 CHED CN(Cc1ccc(F)cc1C#N)c1ccc(F)c(F)c1 609133219 NPBGSSOPYXINQD-UHFFFAOYSA-N 276.261 3.612 30 20 CHED CCc1ccc(C2CCN(C(=O)CCCC#N)CC2)cc1 600681699 IHTRSSZVLRWPBG-UHFFFAOYSA-N 284.403 3.649 30 20 CHED Cc1cccc(Cn2cc(CC3(C#N)CCCCC3)nn2)c1 603178928 LCMHXLDVXVNVIM-UHFFFAOYSA-N 294.402 3.651 30 20 CHED C=C(C)CN(C)C(=O)NCC[C@H](C)CC(C)(C)C 443165530 GZERDDSOOCIXTF-ZDUSSCGKSA-N 254.418 3.666 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 522888674 GHSKCUJFFVEPES-SFHVURJKSA-N 297.402 3.887 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C[C@H](C)CCC#N 602473369 GJXPAWJFMCPJNP-NVXWUHKLSA-N 258.409 3.879 30 20 CHED C=CCOc1ccc(C(=O)N(C2CCCC2)C2CC2)cc1 253377103 WAFXFNLDYJJSEA-UHFFFAOYSA-N 285.387 3.799 30 20 CHED CC(C)CCC[C@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 448645856 CNJCITSQLIHHSN-YOEHRIQHSA-N 276.424 3.791 30 20 CHED C=CCCC1(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)CC1 354610236 YRRDETFYEZJATG-KKUMJFAQSA-N 261.409 3.675 30 20 CHED CCCN(CCC#N)[C@@H]1C[C@@H](OCC)C12CCCCC2 357772856 DIQLTXOBMPPDMD-HZPDHXFCSA-N 278.440 3.740 30 20 CHED CC1CC(C#N)(C(=O)Nc2nc(-c3ccccc3)cs2)C1 532326585 GYKKUEHHKPSCEP-UHFFFAOYSA-N 297.383 3.688 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)Nc1cccc(CC#N)c1 602683331 XIKFDAUPJUMRDE-KSSFIOAISA-N 280.371 3.941 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)c1ccc(F)cc1 449133330 YAFAATRWYVAGMB-IGEOTXOUSA-N 274.383 3.991 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2ccccc2CC#N)c1C 601183178 AVLXWJQDYIYPPE-HNNXBMFYSA-N 292.382 3.861 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C(C)(C)CC(C)C 355662310 ZKCGVYOYHPOPQW-UHFFFAOYSA-N 273.380 3.611 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 532695153 AZTYZUPJBBWVQX-CKEIUWERSA-N 278.440 3.893 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 537235723 LWZUUAMZSPHFDG-GFCCVEGCSA-N 290.363 3.632 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](c1cccs1)C1CC1)OCC 533702360 DPLLODDIYMRLBH-XJKSGUPXSA-N 293.432 3.687 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc(F)c(F)c(F)c1 264353229 ZYFGUZXUYSAKBM-UHFFFAOYSA-N 298.308 3.506 30 20 CHED C=C(CC)CSCC(=O)N(C)[C@@H]1CCCC[C@H]1C 536882481 WPCVPXFKSWSGFY-ZIAGYGMSSA-N 269.454 3.723 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)c1cccc(C)c1C)OCC 535887256 FTNYDYXDMFZFAU-NVXWUHKLSA-N 289.419 3.852 30 20 CHED Cc1ccc(F)c(CN(C)CC(C)(C)CCC#N)c1 446972962 BNZPNVOQZKHYCJ-UHFFFAOYSA-N 262.372 3.896 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC(F)(F)C[C@@H]1C 530011474 AJVYNAPNMKQZTH-LBPRGKRZSA-N 295.329 3.511 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(N)ccc1C 262315282 BEOVOYYCMUYWKM-UHFFFAOYSA-N 286.419 3.786 30 20 CHED N/C(=N/C[C@H]1CCC[C@@H]1C1CC1)Nc1cc(F)ccc1F 263132725 NGLRMRJGUJNPJE-DGCLKSJQSA-N 293.361 3.518 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C(=O)OCC)co1 353459619 OIBGQNITMRZAQY-UHFFFAOYSA-N 299.370 3.645 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1ccc(C#N)s1 530670049 DCYNRFBYSGQSQD-UHFFFAOYSA-N 284.384 3.591 30 20 CHED CC(C)C[C@H]1CCN(C(=O)Nc2cccc(CC#N)c2)C1 455920585 NSYIWNNWNKJKOJ-OAHLLOKOSA-N 285.391 3.653 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)c1ccc(F)cc1 452774143 CSJCGENRMMDIKY-GFCCVEGCSA-N 263.356 3.648 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)CCCc1ccccc1 456814019 SJQNICMJTWJZBP-HNNXBMFYSA-N 259.393 3.728 30 20 CHED CC(C)OC1CCN(c2c(Cl)cccc2C#N)CC1 531392713 OVNKTXPSBTWVHA-UHFFFAOYSA-N 278.783 3.605 30 20 CHED C=CCCC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 263650750 GSRVAGSBCYZQBB-UHFFFAOYSA-N 270.332 3.863 30 20 CHED CCCCOCCCN[C@@H](C)c1ccc(C#N)c(F)c1 537400509 CMBWEKFHWGYDBW-ZDUSSCGKSA-N 278.371 3.555 30 20 CHED CCO[C@@H]1CCC[C@H]1N[C@H](CC)c1ccc(C#N)cc1 453402567 MMHIAVCQHOJBNK-BRWVUGGUSA-N 272.392 3.557 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)C1 455914526 GOQJVSKOILCZIC-OAHLLOKOSA-N 285.391 3.797 30 20 CHED Cc1nc(C)c(CSCCC(C)(C)C#N)s1 276576993 FXJUGNRAAKEHNS-UHFFFAOYSA-N 254.424 3.933 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(N2CCOC2=O)cc1 274416854 FVWJZQMEKMSAMM-AWEZNQCLSA-N 288.391 3.650 30 20 CHED N#C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 611132676 JUQKIDJTXBTBFM-KCJUWKMLSA-N 299.252 3.718 30 20 CHED CCCC[C@H](C)Nc1cc(C#N)ccc1OCCOC 544374261 FMZVRFYGRZNLLJ-ZDUSSCGKSA-N 276.380 3.574 30 20 CHED C=CCOc1ccc(CN[C@H]2CCO[C@H](C)C2)cc1Cl 271266537 NNMSGVKFWGPPPX-OCCSQVGLSA-N 295.810 3.562 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 542707033 RRFGABLZFWFQSZ-OSAQELSMSA-N 285.391 3.813 30 20 CHED C=CCC1(C(=O)N(C)CCc2ccccc2C)CCC1 452329103 AMCRJAFQTLIFLG-UHFFFAOYSA-N 271.404 3.742 30 20 CHED N#Cc1cc(NC[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] 361704990 NBSMQGMTCBQODQ-ZDUSSCGKSA-N 293.326 3.608 30 20 CHED CSc1c(F)cc(NC(=O)CC(C)(C)C#N)cc1F 278697029 FPFGADXEESLWNS-UHFFFAOYSA-N 284.331 3.565 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 459289547 FOPRLWLAXLCUID-IKGGRYGDSA-N 284.403 3.573 30 20 CHED C=C[C@@H](CC(=O)NC[C@H]1CCCC1(F)F)c1ccccc1 452813826 PYEISHQKDZSLMS-DZGCQCFKSA-N 293.357 3.898 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1ccc(CCC)s1 621359358 FBXJBKQFFQNTNQ-CABCVRRESA-N 265.422 3.524 30 20 CHED C=CCC1(C(=O)NCc2oc(CCC)nc2C)CCCC1 452128476 UMRWDOXJEJUVMV-UHFFFAOYSA-N 290.407 3.688 30 20 CHED CCSCc1ccc(NC(=O)N(CC)CCC#N)cc1 455851183 CUQYRHQCWPOJJJ-UHFFFAOYSA-N 291.420 3.707 30 20 CHED CCC1(CC)CCN(C(=O)c2ccc(CC#N)cc2)CC1 274945136 ANCTYBJIBUUCFQ-UHFFFAOYSA-N 284.403 3.795 30 20 CHED C=C(C)[C@H](CC(=O)N(C1CC1)[C@H](C)c1ccco1)OCC 270043685 KKDREWKXAVQKSK-CJNGLKHVSA-N 291.391 3.703 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCO[C@@H](CC(C)C)C1 540779230 MWDARBLJPAMIJE-JYJNAYRXSA-N 253.430 3.915 30 20 CHED C=C(C)Cn1c(N2CCCC[C@H]2CC)nnc1C(C)(C)C 460375803 ZAIRMJDSXDJPLI-CQSZACIVSA-N 290.455 3.921 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@H](C)CC(C)(C)C1 549692778 ITCPUDUTKFMFHP-CQSZACIVSA-N 290.455 3.850 30 20 CHED C=CCCOCC(=O)N[C@@H](C)c1oc2ccccc2c1C 620197801 FNEYIOIUYUPKGX-ZDUSSCGKSA-N 287.359 3.511 30 20 CHED N#Cc1ccc(N2CCC(Cc3cccnc3)CC2)c(F)c1 374498316 UWXZPSBWOJEMIA-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)OCc1ccccc1 469807808 ITJXBBIXSKZWPQ-INIZCTEOSA-N 289.419 3.797 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(OCCOC)cc1 467412469 IIFFZOHVUJMIDJ-HOCLYGCPSA-N 277.408 3.717 30 20 CHED CC#CCCCC(=O)Nc1cnc(C(F)(F)F)cc1C 464668048 ZFEMOUBMKAYYDI-UHFFFAOYSA-N 284.281 3.541 30 20 CHED Cc1cc(C(=O)N(CCC#N)CC2CC2)c(C)cc1Cl 280112336 CSQVXGMAMRKOPI-UHFFFAOYSA-N 290.794 3.723 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H]2CCC[C@H](C)C2)cc1 552584453 GWVWEFZCNOUKBW-HOCLYGCPSA-N 287.403 3.694 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1ccc(C#N)cc1F 1350053983 PNARKMJKVCFTKH-GFCCVEGCSA-N 276.355 3.642 30 20 CHED Cc1ccccc1C[C@H](C)N(C)c1nccc(C#N)c1Cl 553564048 PXXPLPQURKQEIG-ZDUSSCGKSA-N 299.805 3.983 30 20 CHED COc1cc(C#N)ccc1CN1CC(C)(C)[C@H]2CCC[C@@H]21 559431284 AZZLDTJWMDGIHT-HOTGVXAUSA-N 284.403 3.577 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc3[nH]ccc3c2)no1 288909084 GNLPULNJZYOKHQ-KRWDZBQOSA-N 297.358 3.698 30 20 CHED C=CCOc1ccccc1CNc1nccc(C(C)(C)C)n1 555140863 XWNGTYJUSCXYNC-UHFFFAOYSA-N 297.402 3.951 30 20 CHED C[C@H]1C[C@@H](NCC(C)(C)CCC#N)c2c(O)ccc(F)c21 806176579 MZYQMQVXEFLWQF-WCQYABFASA-N 290.382 3.999 30 20 CHED C#CCC(C)(C)c1nc(-c2cccc3ncccc23)no1 809499414 WZQOUVQMDAGGNE-UHFFFAOYSA-N 277.327 3.586 30 20 CHED C=CCCC1(C(=O)N[C@H](C)Cc2ccccc2F)CC1 475118838 MALFSYFMHPDFFQ-CYBMUJFWSA-N 275.367 3.619 30 20 CHED C=CCCC1(C(=O)Nc2nc3ccccc3s2)CC1 474393171 GPYSWDJDIZWUNT-UHFFFAOYSA-N 272.373 3.981 30 20 CHED C=CCC[C@H](NCC(C)(C)COC)c1ccco1 293710319 OXUGBBRZHSQUOK-ZDUSSCGKSA-N 251.370 3.549 30 20 CHED C=C[C@H](C)Nc1ncc(C)c(-c2ccccc2F)n1 645037860 APFNPFXYOCWXAF-NSHDSACASA-N 257.312 3.578 30 20 CHED COc1cc(CNC(C)(C)c2ccccc2F)ccc1C#N 291673158 GTGUIOWJURGKTH-UHFFFAOYSA-N 298.361 3.731 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C 565807270 OEEUUVZEFUSWBP-SCLBCKFNSA-N 297.377 3.801 30 20 CHED C=CCCCCNC(=O)c1cccc(-n2cccc2)c1 471675574 GALCLRIJGWWHFW-UHFFFAOYSA-N 268.360 3.563 30 20 CHED C#C[C@H](N[C@@H]1CC[C@H]1C)c1ccc(Cl)cc1F 809699555 SZBWZHVTHPFBBX-BIGNPOOSSA-N 251.732 3.542 30 20 CHED C#C[C@H](NC(=O)c1c[nH]cc1-c1ccccc1F)C(C)(C)C 807881535 MHUGAWFVTGSHIT-INIZCTEOSA-N 298.361 3.599 30 20 CHED N#Cc1ccc(N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)nc1 561358222 VUKWKKDBOPQMIX-KZNAEPCWSA-N 289.382 3.726 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)nc1C 647380207 UNQUOZQVDYQTGL-LBPRGKRZSA-N 297.383 3.522 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)C2CCC2)s1 297878930 UXWGNLGQNZUXIJ-UHFFFAOYSA-N 262.378 3.656 30 20 CHED C#C[C@H](CC)NCc1c(OC(F)F)ccc2ccccc12 809685606 DVRRWWAJTFQEAO-CYBMUJFWSA-N 289.325 3.943 30 20 CHED N#C[C@H]1CC[C@H](SCc2ccc([N+](=O)[O-])cc2)C1 295961592 JMYPAQRRJIOIHB-AAEUAGOBSA-N 262.334 3.520 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 299356103 XIEPQIXOTWLXEJ-NSHDSACASA-N 297.782 3.577 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1ccc(Cl)cc1 649993317 MPIWGULXLTVRFA-SMDDNHRTSA-N 265.784 3.914 30 20 CHED C[C@@H]1CC(CCNc2nc(Cl)c(C#N)s2)C[C@@H](C)O1 804697492 IAYDLFHIMVXVIM-RKDXNWHRSA-N 299.827 3.674 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1Nc1nc(Cl)c(C#N)s1 804622700 FFFBFABUTOATHC-UWVGGRQHSA-N 299.827 3.674 30 20 CHED N#CCCC1CCN(Cc2cnc3ccccc3c2)CC1 399323554 JDHHLWOUJHMFNQ-UHFFFAOYSA-N 279.387 3.751 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@@H](C)c3ccccc32)o1 807967160 PDSJIRNENMFUDQ-LLVKDONJSA-N 294.358 3.993 30 20 CHED CC(Cc1cccc(F)c1)=NNc1nccnc1C1CCC1 807993861 HMNNOJZUCOZDEY-UHFFFAOYSA-N 298.365 3.914 30 20 CHED C=C(C)CSCc1ccc(-n2ccnc2)cc1C 479503643 OMKKXEJOMRHSNQ-UHFFFAOYSA-N 258.390 3.990 30 20 CHED C/C(=C\C(=O)OCCCC1(C#N)CCOCC1)C(C)(C)C 800176111 XJCPZPXYNGQUMR-WYMLVPIESA-N 293.407 3.623 30 20 CHED C=C(C)CCc1noc(C2(Cc3ccccc3F)CC2)n1 561930042 SVLUVMVQSDRHDR-UHFFFAOYSA-N 286.350 3.992 30 20 CHED CC(C)(CCc1ccccc1)NC(=O)c1ccc(C#N)s1 487295183 CMOIEJVAFRWQQW-UHFFFAOYSA-N 298.411 3.761 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1(F)CCCCC1 810967335 UAYXWRZEQSGFBB-UHFFFAOYSA-N 279.355 3.509 30 20 CHED C=CCCCCN1CC2(CCC2)[C@@H]1C1CCOCC1 569097519 QCQIBPXFAIMTMK-INIZCTEOSA-N 263.425 3.624 30 20 CHED COc1ccc2c(c1)C(=NOC/C=C\Cl)CCC2 811671813 XOKWZRBUVDPRTE-FBPGMADFSA-N 265.740 3.505 30 20 CHED COc1cccc(NN=CCC(C)(C)SC)c1 814776821 FDTBOQVFIPQPPV-UHFFFAOYSA-N 252.383 3.625 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN2CCCC(C)(C)[C@H]2C#N)o1 566953733 AMCXVCOBJOQJRI-XNRPHZJLSA-N 272.392 3.917 30 20 CHED C=CC[C@H](C(=O)NC1CC2(CCC2)C1)c1ccccc1 652969434 AVZNNSWFCMWPNO-INIZCTEOSA-N 269.388 3.795 30 20 CHED CCC(=NOCCC1CC1)c1cccc([N+](=O)[O-])c1 814245994 QTJDQOQIPAQKQQ-UHFFFAOYSA-N 262.309 3.526 30 20 CHED C=CCC1(c2nc(-c3n[nH]c(C4CC4)n3)no2)CCCCC1 651405883 ONQORRRGBHLVNU-UHFFFAOYSA-N 299.378 3.510 30 20 CHED Cc1cccnc1NN=Cc1c(C)c2ccccc2n1C 814911592 PDPQFWDLRCDFAK-UHFFFAOYSA-N 278.359 3.636 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@@H]2C[C@H]3C=C[C@H]2CC3)cc1 817410112 JYULIGQKPYNNLD-LAQRGFTBSA-N 296.414 3.669 30 20 CHED CSCc1cnc(C=NNc2ccc(F)cc2C)s1 814884852 BCFMMILHXUUJPR-UHFFFAOYSA-N 295.408 3.900 30 20 CHED C=CC(C)(C)CNC(=O)CCCc1c(F)cccc1F 653860941 WLZJLSLMMVLTDJ-UHFFFAOYSA-N 281.346 3.616 30 20 CHED C=CCCCC(=O)N(Cc1cccs1)C(C)C 481318539 VULPPKYQKGFYIZ-UHFFFAOYSA-N 251.395 3.841 30 20 CHED CC1(C)C[C@@H](NN=C2CCCC23CCCC3)CCO1 814908282 MHONBYUJSZUGPN-ZDUSSCGKSA-N 264.413 3.634 30 20 CHED C(=NOC1CCC1)c1c(-c2ccccc2)nc2sccn12 812234981 FWHWGZFNAWXQPY-UHFFFAOYSA-N 297.383 3.966 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1ccn(C(C)C)c1C 576564256 ONGMWYMWHFRVGX-UHFFFAOYSA-N 297.358 3.510 30 20 CHED CCCCCC[C@H](C)NN=C(C)CC1(C(=O)O)CCC1 814858523 AJFBYKWAKXZSLM-ZDUSSCGKSA-N 282.428 3.956 30 20 CHED C=CCCNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 657584120 YKUXSEMCRRXPJF-UHFFFAOYSA-N 295.308 3.761 30 20 CHED C=CCCC(C)(C)NCC1=Cc2ccccc2OC1 657805101 KEMQOQBKJMLZNF-UHFFFAOYSA-N 257.377 3.797 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)CCOc1ccccc1 488881348 SNFNCCWODBDMNO-HZPDHXFCSA-N 287.403 3.659 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1F 729148981 GJDJHYYLCYHKFL-YCRREMRBSA-N 256.276 3.736 30 20 CHED N#CCCCC(=O)OCCc1cc(Cl)cc(Cl)c1 812616497 FOYQAKOADLMYQO-UHFFFAOYSA-N 286.158 3.773 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N(CCC#N)CC2CC2)cc1C 728870423 IZTZZSBSWDOPLG-FPLPWBNLSA-N 296.414 3.777 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccn1CC=C 488569454 ZCOVXBMPAJAXJV-UHFFFAOYSA-N 286.400 3.564 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@H](C)CCC)c1ccccc1 488618766 GZNQRIWHYAMHAJ-GDBMZVCRSA-N 259.393 3.993 30 20 CHED C[C@H]1CCC[C@H](C)N(Cc2ccc(C#N)c(F)c2)C1 483939496 JXILQQLZRMSJSP-STQMWFEESA-N 260.356 3.708 30 20 CHED C=CCNC(=O)c1ccccc1NC[C@@H](CC)CC(F)F 656640821 NAXOHJIYZPPUEK-LBPRGKRZSA-N 296.361 3.696 30 20 CHED C=CCN(CCC#N)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 814134131 BDFOWHJKMZPUCZ-FMIVXFBMSA-N 296.414 3.926 30 20 CHED C=CCCCCCCCN[C@H](C)c1nccnc1C 810243146 MBCXRSVZZLJGFB-CQSZACIVSA-N 261.413 3.962 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)cc1C 485600425 OXCYDOIKYDHRND-AWEZNQCLSA-N 258.365 3.876 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(OCC#N)cc1 823831183 SCNYCLSDNBGMFE-OAHLLOKOSA-N 272.392 3.813 30 20 CHED C=CCCN(C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 824250353 NMMNOBPKKXKDSE-CABCVRRESA-N 296.455 3.530 30 20 CHED C[C@@]1(CCOC(=O)c2cccc(CC#N)c2)C[C@]1(F)Cl 822071809 XGWSUJSOLGOHFP-HUUCEWRRSA-N 295.741 3.614 30 20 CHED C=CCCCC[C@H](C)NC[C@@H](O)c1ccccc1F 823691907 YQISWSXCBOPGAF-XJKSGUPXSA-N 265.372 3.584 30 20 CHED C=CCCNC(=O)Nc1cc(C(F)(F)F)ccc1C 666246668 CPGANKQFKUSWPO-UHFFFAOYSA-N 272.270 3.711 30 20 CHED CCCn1cccc1C=NNc1cccc([N+](=O)[O-])c1C 727973517 OYEUEMKKIZYIEY-UHFFFAOYSA-N 286.335 3.561 30 20 CHED CCCCCCCCCNC(=O)Nc1cnc(C)nc1 728689850 KHYXAYRRWOQOMR-UHFFFAOYSA-N 278.400 3.657 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H]1c1ccc(O)cc1 588304587 DWNMJAWROAGNKD-INIZCTEOSA-N 286.375 3.530 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2cc(F)ccc2C)cc1 588419557 WFZVPAKVXGOVJK-POHAHGRESA-N 297.329 3.989 30 20 CHED C=C(C)CCc1noc(-c2ccsc2Cl)n1 664876999 QPGNJKMEEWVAFA-UHFFFAOYSA-N 254.742 3.960 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 584707178 DOAPKQXMSCDEPE-XFKAJCMBSA-N 296.414 3.747 30 20 CHED N#CCC[C@@H](C#N)CNc1ccc(-c2ccccn2)cc1 580021005 JDNQIYNAIPYNRD-AWEZNQCLSA-N 276.343 3.604 30 20 CHED C=C(C)c1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)O)C2)c1 908250526 TVEUVAZRKLTVTH-KBPBESRZSA-N 287.359 3.549 30 20 CHED C[C@@H]1CCCC1=NNc1nc(-c2ccc(Cl)cc2)no1 732926229 IWGNCTOXGJCRJE-SECBINFHSA-N 290.754 3.978 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@@H](c3ccccc3)C[C@H]2C)n1 583773932 RSVHQMFAHUBLAX-WBVHZDCISA-N 291.398 3.953 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cncn1C(C)C 901452739 ZOQJYFKJMGXOSF-VURMDHGXSA-N 284.359 3.677 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc2ccncc2s1 668078085 FNKXHRSGNAHMBE-CYBMUJFWSA-N 258.390 3.837 30 20 CHED C=CCN(C)C(=O)/C=C\c1ccccc1O[C@H](C)CC 588524649 YWLLLOGFAXRWSV-XMXAVACDSA-N 273.376 3.522 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(F)cc1OC(F)F 903100797 YLAIMBSHTLPZLY-SECBINFHSA-N 286.297 3.627 30 20 CHED CC[C@H](NC[C@@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1 902792796 DKIKGEQTLBJICX-HKUYNNGSSA-N 299.462 3.719 30 20 CHED C[C@@H](NCCOC(C)(C)C)c1ccc(C#N)cc1Cl 583061953 QMXQBFAOMCHIFN-LLVKDONJSA-N 280.799 3.677 30 20 CHED COc1cc(N=Cc2ccccc2O)ccc1OC(C)C 588476290 GIUZLQHRQOTXAQ-UHFFFAOYSA-N 285.343 3.939 30 20 CHED CC(=NNCc1ccc(C)cc1)c1ccc(C)nc1C 835007867 ATKZXQYQKBRHOV-UHFFFAOYSA-N 267.376 3.521 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1CCc2ccc(F)cc21 583789733 SMWJFMKKDQJQLM-HNNXBMFYSA-N 290.382 3.715 30 20 CHED CC(C)c1[nH]ccc1C(=O)N[C@H](C)c1cccc(C#N)c1 586790936 HYRLCQHWARCNMD-GFCCVEGCSA-N 281.359 3.501 30 20 CHED CCC(C)(C)OCC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 838812273 WJJLEOXFWVDZRX-LLVKDONJSA-N 294.420 3.648 30 20 CHED CC(C)(C#N)CCCCOC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 838122316 JUURBEHLEYJMMJ-HZSPNIEDSA-N 263.381 3.686 30 20 CHED Cc1ccc(F)c(C=NN[C@H](C)c2ccccc2)c1 734980750 WHULSORNKYZIMC-CYBMUJFWSA-N 256.324 3.819 30 20 CHED C#CCOc1ccc(NC(=O)C=C2CCCCC2)cc1 730979952 IATKRPCOZWNCTJ-UHFFFAOYSA-N 269.344 3.528 30 20 CHED C=CCC[C@@H](OC(=O)CC1CC(F)(F)C1)C1CC1 835242932 CXRSVZAKBYEYPZ-GFCCVEGCSA-N 258.308 3.710 30 20 CHED C=CC[C@@H]1CC[C@H](N[C@H](C(=O)O)c2ccc(C)c(C)c2)C1 901842730 AJPZUYSMFCEAAP-PVAVHDDUSA-N 287.403 3.764 30 20 CHED C#Cc1ccc(C(=O)O[C@H](CCC)CCCC)nc1 730305329 XNPQKUMDYGIMCT-CQSZACIVSA-N 259.349 3.579 30 20 CHED CC(=NNc1ccc(C(=O)O)c(Cl)c1)c1cccs1 833386710 URJIVMRAJVOIAN-UHFFFAOYSA-N 294.763 3.936 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)OCc2ccncc2)n1 906120636 UNBZRGUFUBIASR-LBPRGKRZSA-N 287.363 3.596 30 20 CHED CC(C)CC[C@H]1CCC(=NNC[C@@H]2CCSC2)C1 834979594 JTUQUQYWNXDCGL-KBPBESRZSA-N 268.470 3.921 30 20 CHED Fc1ccc(-c2cnc(CON=C3CCC3)o2)cc1 735489968 MHEYOUZWUXJSSQ-UHFFFAOYSA-N 260.268 3.537 30 20 CHED CC(=NNCC(F)(F)F)c1c(C)oc2ccccc12 834970218 UOXGKJTYBVQWQK-UHFFFAOYSA-N 270.254 3.617 30 20 CHED Cc1ccc(NN=C2CCC[C@@H]2c2ccccc2)nn1 732532686 NKIGJKNDKWQQSI-CQSZACIVSA-N 266.348 3.521 30 20 CHED Cc1ccccc1[C@H](NC(=O)C#CC1CC1)C(C)(C)C 837458044 CJOTUEGWXWQXHM-KRWDZBQOSA-N 269.388 3.612 30 20 CHED CCCNN=C(C)c1cc(Cl)sc1Cl 915965065 CNKZKFFAPZMBAR-UHFFFAOYSA-N 251.182 3.779 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1cccc(C)c1C 734295797 KMMDUKSWAZYGRY-UHFFFAOYSA-N 282.343 3.838 30 20 CHED C=C(C)CNc1cc(Cl)ccc1OC1CCN(C)CC1 834680783 JMBFCEIRWCKKSC-UHFFFAOYSA-N 294.826 3.801 30 20 CHED CCc1ccccc1NN=Cc1c(F)cccc1F 915051311 CUHLSAFPIADZDD-UHFFFAOYSA-N 260.287 3.973 30 20 CHED N#Cc1ccc(C=NNc2cccc(C(F)(F)F)c2)o1 743420772 OZDCQVICGMUTDT-UHFFFAOYSA-N 279.221 3.616 30 20 CHED CC(=O)c1cc(F)cc(F)c1OCCCC(C)(C)C#N 747808258 FYBBJMVAWGQRAJ-UHFFFAOYSA-N 281.302 3.876 30 20 CHED C=C1CCN(C(=O)[C@H](C)Oc2cccc(C(C)C)c2)CC1 591092389 KWCJGWGGZVQUDW-HNNXBMFYSA-N 287.403 3.756 30 20 CHED C=C(C)CCOC(=O)c1cc2cccc(OC)c2o1 744304823 FZSJEJIAFNISPN-UHFFFAOYSA-N 260.289 3.564 30 20 CHED CCCCCCCCCNC(=O)/C=C/c1cccnc1 913037825 RNYNJKKROVLTQF-VAWYXSNFSA-N 274.408 3.962 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1nc(C)cc(C)c1C#N 598858771 PHRODXJJFQNDLC-UONOGXRCSA-N 285.391 3.725 30 20 CHED C=CCCCCCN(C)C[C@H]1CC1(Cl)Cl 740426481 AMNCWWGIAHORSZ-LLVKDONJSA-N 250.213 3.858 30 20 CHED CC[C@@H](C#N)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 593619828 MOSPKKMQRTZYSY-INIZCTEOSA-N 292.382 3.828 30 20 CHED C=C[C@H](OC(=O)c1cn(C(C)C)nc1C)C(C)(C)C 847703991 NZDDFSUPIWCVDE-ZDUSSCGKSA-N 264.369 3.530 30 20 CHED COc1cccc(/C=N\C[C@H]2CCCc3ccccc32)c1O 912961566 BRZVOUJMFCAPRS-CTFRJJSNSA-N 295.382 3.940 30 20 CHED CC[C@@H](C#N)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 593399530 HPYQVZKZIKMKJZ-QWRGUYRKSA-N 298.308 3.775 30 20 CHED C#CC1CCN(C(=O)[C@H](CC)CC2CCCCC2)CC1 843706789 GNSOWKWEKNLBFU-QGZVFWFLSA-N 275.436 3.855 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 593489946 ZAKVJKLYKFEJDQ-LLVKDONJSA-N 290.338 3.635 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC12CCC2 675330274 JPQWPXNPBQDCCF-HNNXBMFYSA-N 261.409 3.772 30 20 CHED CCCCCCCCNC(C)(C)c1noc(C)n1 740877050 WRCJHZVFNFXNAN-UHFFFAOYSA-N 253.390 3.563 30 20 CHED N#Cc1cncc(-c2ccc(CN3CCCCC3)cc2)c1 592985255 KDQSCRQKACZOJW-UHFFFAOYSA-N 277.371 3.606 30 20 CHED Cc1ccc(C=NNc2ccccc2[N+](=O)[O-])c(C)c1 916250346 WAXSUYXUAHRMOW-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CCC[C@H](C)C(=O)N(CC#N)c1ccc(Cl)cc1 592650206 IRZAVNWZTCPWBC-NSHDSACASA-N 264.756 3.633 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCCC1(F)F 590779466 HAVGKRLQLDNNIL-GDBMZVCRSA-N 290.357 3.961 30 20 CHED Cc1cnc([C@@H](N[C@@H](C#N)c2ccccc2)C2CC2)s1 595429527 FXLWWIGOCKPXEU-GJZGRUSLSA-N 283.400 3.757 30 20 CHED Cc1csc([C@@H](C#N)C(=O)Cc2cccc(C3CC3)c2)n1 842280263 AIGHGRGHIKDYIZ-HNNXBMFYSA-N 296.395 3.748 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@@H](C2CCCCC2)C1 598153518 NPKJFGUZGMGKOL-CQSZACIVSA-N 286.375 3.502 30 20 CHED CCc1ccccc1NN=Cc1ccc2c(c1)CCO2 917547883 FOEBIAKWBMJVKB-UHFFFAOYSA-N 266.344 3.630 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2c(c1)CCCCC2 593314114 KFKLXCPVDXEDBH-UHFFFAOYSA-N 270.376 3.834 30 20 CHED C=CCCCC(=O)N[C@H](C)Cc1ccccc1Cl 748299273 QIYUQBIGYXBWDO-GFCCVEGCSA-N 265.784 3.744 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 594346290 YCGZZBUQZFYXNC-QAPCUYQASA-N 298.430 3.631 30 20 CHED CC[C@H](c1ccccc1)N(CC)C[C@H](O)CC(C)(C)C#N 598587620 SUFFMTULGBUXQO-IAGOWNOFSA-N 288.435 3.760 30 20 CHED C=CCN(Cc1ccccc1C(C)(C)C#N)[C@H](C)COC 595648887 VRBNNWPYOQVGAL-OAHLLOKOSA-N 286.419 3.511 30 20 CHED CC1(C)CN(c2nc(C#N)c(Cl)s2)[C@@H]2CCC[C@H]21 596248249 VADDQNWNFAPIKK-PSASIEDQSA-N 281.812 3.683 30 20 CHED Oc1ccc2ccccc2c1/C=N\[C@@H]1CC12CCOCC2 840709474 MXIOIEPTQCSHAT-UEXNTNOUSA-N 281.355 3.533 30 20 CHED CO[C@@H](C=NNc1cc(C(F)(F)F)ccn1)CC(C)C 841641412 XIGQJFFZQQYWJS-LLVKDONJSA-N 289.301 3.559 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCOc1ccccc1F 920942093 KKJYTOZNXPKWFI-ZDLGFXPLSA-N 293.725 3.683 30 20 CHED C[C@]1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)C[C@@H]1c1ccccc1 841255810 OESFJSLHWHGOEI-ZDRJDWQYSA-N 283.371 3.806 30 20 CHED N#C[C@H]1CCCN(C(=O)c2ccc(C3=CCCC3)cc2)C1 928215163 IVSUXSMDCGMCEX-CQSZACIVSA-N 280.371 3.630 30 20 CHED Cc1ccc(NN=Cc2c(C)[nH]c3ccc(Cl)cc23)nn1 752730592 NQIIZPGDIXGRTG-UHFFFAOYSA-N 299.765 3.674 30 20 CHED CS[C@H](CN[C@H](C)CC(C)(C)C#N)C(C)(C)C 926135478 GTRXUBLVMPGCPR-VXGBXAGGSA-N 256.459 3.682 30 20 CHED C=CCC[C@@H](C)NC[C@H](O)c1ccc(Cl)c(Cl)c1 850554204 AXIFPSUXFYBHPV-YGRLFVJLSA-N 288.218 3.971 30 20 CHED Cc1ccccc1/C=C1/COc2c(F)cccc2C1=O 921266432 PEOGVCNJSCHNMQ-LCYFTJDESA-N 268.287 3.793 30 20 CHED Cc1ccc(C=NOCc2ccc(-n3cccn3)cc2)cc1 852159139 PLNOKDAUNHLIAZ-UHFFFAOYSA-N 291.354 3.731 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1 855743116 WNSHCTZBXRZONA-HNNXBMFYSA-N 291.366 3.854 30 20 CHED C[C@H](N[C@@H](C#N)c1ccccc1)c1ccc(N(C)C)cc1 851950724 RHQKZZUFRMVHMM-KSSFIOAISA-N 279.387 3.668 30 20 CHED C#CCNC(=S)Nc1ccc(C(C)C)cc1C(C)C 758188238 FKVQFAYPAOCFHQ-UHFFFAOYSA-N 274.433 3.853 30 20 CHED C#CCCCCC(=O)N[C@@H](CC)c1cc(F)ccc1OC 928779880 RTEHXGDQUXIORE-HNNXBMFYSA-N 291.366 3.595 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 755231558 UYXNELMDNWDGFL-CYBMUJFWSA-N 270.376 3.718 30 20 CHED C=C[C@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1C2 757004166 MIFWFCKQMNVSDJ-LBPRGKRZSA-N 263.340 3.562 30 20 CHED C/C(=C/c1ccccc1)CN(C)C(=O)C#Cc1ccccc1 756774750 QOPSZQJQVHSGCY-ICFOKQHNSA-N 289.378 3.600 30 20 CHED CC(C)CN(CCC#N)CCc1nsc2ccccc12 851778312 GPIGZGYLQPRFJF-UHFFFAOYSA-N 287.432 3.710 30 20 CHED N#Cc1ccc(C(=O)OCCCC2CCCC2)s1 750395212 NGNBEYQLJVJLFV-UHFFFAOYSA-N 263.362 3.747 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Br)s2)no1 752877660 NVALMPAPSCMGDN-RQOWECAXSA-N 298.161 3.703 30 20 CHED C=C[C@H](OC(=O)CCCC(=O)C1CC1)c1ccccc1 851451212 FPBNECFYTKLDPF-INIZCTEOSA-N 272.344 3.606 30 20 CHED C#CC[C@@H](NC(=O)c1ccccc1CC)c1ccccc1 758007355 ZPIGQPLIRJEEAI-GOSISDBHSA-N 277.367 3.743 30 20 CHED CCCN(CCc1ccc(C#N)cc1)Cc1ccccc1O 851791482 BRKAELFIXTVJKQ-UHFFFAOYSA-N 294.398 3.719 30 20 CHED COc1ccc(/C=C/C(=O)c2coc(C(C)C)n2)cc1 752882079 MHDSYHGJUDABGF-RMKNXTFCSA-N 271.316 3.703 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H](COCC)C1 754866904 YEQGSMQZHFZJFJ-INIZCTEOSA-N 298.471 3.805 30 20 CHED Cc1nc(C(=O)O[C@@H](C)CC#N)c(-c2ccccc2)s1 755677016 CVFSVHAIUQPGBU-JTQLQIEISA-N 286.356 3.578 30 20 CHED CN1/C(=C/C=NOCC(F)(F)F)C(C)(C)c2ccccc21 764844645 LAWUJDYDTDEGRU-WQCDKATFSA-N 298.308 3.863 30 20 CHED N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1ccccn1 766249426 APLFUGBUINPHRL-FEOAFNLJSA-N 298.361 3.566 30 20 CHED CC(=NNc1ncc(F)cn1)c1ccc(Cl)cc1Cl 760246807 IJJURAXEEIHBPG-UHFFFAOYSA-N 299.136 3.759 30 20 CHED CC(C)c1ccc(C=NOC[C@@H]2CCCOC2)cc1 769878660 OWEVNHIJTPVBAT-OAHLLOKOSA-N 261.365 3.587 30 20 CHED CCS[C@@H](C(=O)Oc1ccc(C#N)c(C)c1)C(C)C 765113222 MOUURWJIOYOQOJ-CQSZACIVSA-N 277.389 3.550 30 20 CHED CCC(CC)NN=Cc1ccc(Sc2ccccn2)o1 766451835 XYDUQRGHUQUWMW-UHFFFAOYSA-N 289.404 3.938 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 933785351 GPZAREVYJPWPGY-RDTXWAMCSA-N 290.366 3.700 30 20 CHED C#CCCNc1ccccc1C(=O)N(C)C1CCCCC1 760290627 FDWKHDPBQPWMNT-UHFFFAOYSA-N 284.403 3.527 30 20 CHED C#Cc1cccc(NCc2cnc(Cl)c(C)c2)c1 766442685 CDLNQHDOYRNBSS-UHFFFAOYSA-N 256.736 3.637 30 20 CHED N#Cc1ccc(CNN=C2CCCc3cc(F)ccc32)cc1 769820310 BMZORVCSAWVQSS-UHFFFAOYSA-N 293.345 3.528 30 20 CHED CCCCC(COC)=NNCc1cnc2ccccc2c1 764775383 KEAFACXRLMVUPH-UHFFFAOYSA-N 285.391 3.517 30 20 CHED 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1634134559 YGVRGQXPMBCKKA-GJZGRUSLSA-N 291.439 3.681 30 20 CHED C=C(Cl)CNCc1csc(COc2ccccc2)n1 1560348504 CKNOGCQJYMFESM-UHFFFAOYSA-N 294.807 3.564 30 20 CHED N#Cc1ccnc(S[C@H](C(=O)C2CC2)c2ccccc2)c1 1640854136 FXFFTIWNPBVAHA-KRWDZBQOSA-N 294.379 3.766 30 20 CHED CC[C@H](CC#N)NC/C=C/c1cc(C)c(C)cc1C 1658141191 WJBKECZJOYAKEB-DKRLNXSXSA-N 256.393 3.907 30 20 CHED CSc1ccccc1CN1CCc2ccc(C#N)cc21 1658109593 QIMQVDUDOIIRCN-UHFFFAOYSA-N 280.396 3.843 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)c1 1584930173 KMRFATIPPYMBSO-DZGCQCFKSA-N 270.376 3.878 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 1585134701 JQTIRPUUJTUUEM-NOLJZWGESA-N 284.403 3.811 30 20 CHED COc1cc(OCc2cc(Cl)ccc2F)ccc1C#N 1651953484 JXGZNTZJYNGQID-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C=C(Br)CN[C@H]1CCCC[C@@H]1CCC 1654232025 RKLPJEBRVIUWIK-RYUDHWBXSA-N 260.219 3.844 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C(=O)O)c2ccccc12 1588736212 UTVKXKVYYBEMRU-NSHDSACASA-N 298.342 3.624 30 20 CHED CC(C)C[C@@H](Sc1cccc(C#N)c1Cl)C(=O)O 1591190880 CEGHIOMNUNLFNH-LLVKDONJSA-N 283.780 3.803 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](Nc2nccnc2C#N)CC1 1639791435 OFSCXRWOYKNWAW-OLZOCXBDSA-N 272.396 3.755 30 20 CHED C=C(Cl)CN1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C 1643667249 VVEUPAPTSSWYSH-HRCADAONSA-N 292.854 3.722 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)CC(C)(C)C 1776050384 NRYUIUMXWDXYGA-UHFFFAOYSA-N 278.352 3.617 30 20 CHED Cc1ccc(C)c(NN=Cc2csc(C(=O)O)c2)c1 1776029681 MIYYTUBTXCQLSD-UHFFFAOYSA-N 274.345 3.509 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1cccnc1C 1776786980 FHMLGJVUZFQYTR-MRXNPFEDSA-N 292.423 3.683 30 20 CHED CC[C@H]1CCCC[C@@H]1C=NNc1ccc(C(=O)O)cc1 1776013005 CGNGOIFMWJOFNT-GXTWGEPZSA-N 274.364 3.999 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)O)c2)c(C)c1 1776132694 BVIULQSUKSBQBZ-DAXSKMNVSA-N 296.322 3.603 30 20 CHED C[C@H]1CCCCCC1=NNc1ccc(C(=O)O)c(F)c1 1776075931 NSPVNSQLWAJTLK-JTQLQIEISA-N 278.327 3.892 30 20 CHED Cn1cc(CNc2cccc(C#N)c2)c(-c2ccccc2)n1 161157284 ZLRGIYWLENNYBS-UHFFFAOYSA-N 288.354 3.571 30 20 CHED CC(C)CCOc1cccc(NC(=O)c2ccc(C#N)[nH]2)c1 161344674 WZIVCDLPBUOMDD-UHFFFAOYSA-N 297.358 3.564 30 20 CHED COc1ccc(O)c(/C=N/[C@H](CCC#N)c2ccccc2)c1 158261503 RFKPDVDRQOYPDZ-UOBPLZBXSA-N 294.354 3.865 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H]1C=CCCC1 158625546 RUVXQPVIBZSDLZ-KRWDZBQOSA-N 284.403 3.535 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Cl)nc2ccccc12 158627142 CTKJTNCUENSRFI-JTQLQIEISA-N 274.751 3.583 30 20 CHED C=C(Br)CN[C@H]1CCC(C)(C)C[C@H]1C 168203542 ZIXXIGMYXDCSEL-KOLCDFICSA-N 260.219 3.699 30 20 CHED CC(C)Oc1ccc(NCc2nccn2C(C)C)cc1C#N 151981241 HJYPMIARJDKZAC-UHFFFAOYSA-N 298.390 3.735 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1cncs1)C2=O 157600557 VFIMPVKCEKJLAC-MBGMWABPSA-N 255.342 3.835 30 20 CHED C=C(C)CNC(=O)N[C@H](CC)c1cccc(Cl)c1 156407720 ZRXFVZPFDODXEB-CYBMUJFWSA-N 266.772 3.666 30 20 CHED C=CCn1c(SC[C@H](C)CC)nnc1-c1ccncc1 154294325 HKABCDOFXHAQNC-GFCCVEGCSA-N 288.420 3.664 30 20 CHED C=CCCCN(C)C(=O)c1cc(C)nc2ccc(OC)cc12 156770291 LASKAPAOZZZWKF-UHFFFAOYSA-N 298.386 3.590 30 20 CHED COc1cccc(/C=C2/CCc3cc(O)ccc3C2=O)c1 207933277 QGDVOBNRUDFXKC-ZROIWOOFSA-N 280.323 3.613 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2cccc(F)c2F)cc1 809629626 WEVHWEROXYNILV-LBPRGKRZSA-N 271.310 3.797 30 20 CHED N#C[C@H](C1CCCCC1)S(=O)(=O)c1ccccc1Cl 211171822 IHSRPEIWNDVDHH-CQSZACIVSA-N 297.807 3.586 30 20 CHED Cc1ccc(CN(C)Cc2ccc(F)c(C#N)c2)s1 119864785 BSUZFIBGAADVNP-UHFFFAOYSA-N 274.364 3.699 30 20 CHED CCC1(CNCc2ccc(C#N)c(OC)c2)CCCC1 233057022 PRHNENSAQCNXFD-UHFFFAOYSA-N 272.392 3.627 30 20 CHED CCCCC[C@@H](C)NC(=O)c1c(F)cc(C#N)cc1F 152122068 BELYGPGIGMOLAA-SNVBAGLBSA-N 280.318 3.535 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1cc(C#N)ccc1F 42316505 QFEMNSVTPGUIFL-NSHDSACASA-N 274.364 3.952 30 20 CHED Cc1cccc(CN(C)Cc2cc(C#N)ccc2F)c1 42412937 QBLXVNHTMUGYGO-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C=CC[C@@H](CC)NCc1ccc(Br)s1 308613082 REBKNNURHSXXCQ-SECBINFHSA-N 274.227 3.955 30 20 CHED C=CCCCSc1nnc(NCCCC)s1 309424330 FBMIWSGFJPEMOS-UHFFFAOYSA-N 257.428 3.808 30 20 CHED CC#CCCNCc1ccccc1OCc1ccccc1 309832660 SOFINGHGRLQSBR-UHFFFAOYSA-N 279.383 3.769 30 20 CHED Cc1nc(N2CC[C@@H]3CCCC[C@H]3C2)c(Cl)cc1C#N 312296141 AGLGYTQVFBDMOM-STQMWFEESA-N 289.810 3.932 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)c(C)s1 610502066 NTRRAMIJHWMMNK-CQSZACIVSA-N 276.405 3.567 30 20 CHED CCCCC[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 94591744 BGNFRZYEHQPHNI-LLVKDONJSA-N 261.325 3.847 30 20 CHED CC(C)c1nnc(CNc2ccc(C#N)c(Cl)c2)s1 343872718 DDXWXCWTDRUJRV-UHFFFAOYSA-N 292.795 3.799 30 20 CHED C=CC[C@H]1CCCC[C@H]1NC1CCC(O)(CC)CC1 657911007 ZGLXOXUUGDLSAW-ORBLRFAASA-N 265.441 3.795 30 20 CHED CCCCCCCNCc1cnc2ccccc2n1 705909556 MCRNNUKHXSZTQK-UHFFFAOYSA-N 257.381 3.690 30 20 CHED C#CCN(C)CCCN[C@@H](c1cccs1)C1CCCC1 380841562 OUIUUSSJHNSUTG-QGZVFWFLSA-N 290.476 3.524 30 20 CHED N#Cc1cc(C(=O)OCc2ccccc2)ccc1Cl 753995039 PNMUCHQNLISVPQ-UHFFFAOYSA-N 271.703 3.569 30 20 CHED N#Cc1cccc(COC(=O)C23CC4CC(CC(C4)C2)C3)c1 6063744 APIJAHOXCCYYID-UHFFFAOYSA-N 295.382 3.818 30 20 CHED CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(C#N)cc1 7886389 ANYXFLDVARCKBG-QGZVFWFLSA-N 291.354 3.535 30 20 CHED CC(=O)Nc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 19917178 RFBZLRHVBNUOFP-GFCCVEGCSA-N 279.343 3.690 30 20 CHED Cc1cc(C)cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 41545784 MSXCVYGGMBLOAS-AWEZNQCLSA-N 290.322 3.935 30 20 CHED N#Cc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 47376191 LRNBCISKIIHORJ-MRXNPFEDSA-N 297.317 3.597 30 20 CHED Cc1cccc(CCNc2ccc(C#N)cc2F)c1 51670551 MFXYZPZAQJXJEB-UHFFFAOYSA-N 254.308 3.660 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCCOC1CCCC1 57752482 VTPGFLCGPXHOGM-GZTJUZNOSA-N 281.783 3.814 30 20 CHED N#Cc1cc(Oc2ccc(F)cc2Br)ccn1 61811534 YSLATMYMYSPGAW-UHFFFAOYSA-N 293.095 3.647 30 20 CHED C[C@@H](CCNCc1ccc(C#N)cc1F)c1ccccc1 61910628 MGIKKXRIMSMSGO-AWEZNQCLSA-N 282.362 3.981 30 20 CHED N#Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1O 65341652 DMYRPRIFQUMITE-UHFFFAOYSA-N 279.217 3.829 30 20 CHED C=C(C)CN(CC)C(=O)c1sc(CC(C)C)nc1C 67969238 UADRBQMHFQQCLN-UHFFFAOYSA-N 280.437 3.688 30 20 CHED Cc1ccc(OCCCCNCc2ccc(C#N)cc2)cc1 69709520 KWDLTRSEVOCXCZ-UHFFFAOYSA-N 294.398 3.816 30 20 CHED N#CCN(C(=O)CCC1CCCC1)c1ccccc1 72679989 ZQAJWJURYFLJPM-UHFFFAOYSA-N 256.349 3.514 30 20 CHED C=CCCC(=O)Nc1cc(C(F)(F)F)ccc1C 74340044 HFEKPQHMPVNCQT-UHFFFAOYSA-N 257.255 3.919 30 20 CHED N#Cc1c(Cl)nsc1NCc1ccc2c(c1)CCC2 76797861 VCADNCGDMUJOJW-UHFFFAOYSA-N 289.791 3.769 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(F)ccc2F)c1 78280983 VXYLTWRQCLZQCP-VMPITWQZSA-N 274.266 3.870 30 20 CHED CC[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 78492656 ZPAWIZZXECFOIB-UWVGGRQHSA-N 276.405 3.729 30 20 CHED CCCCC[C@H](C)CC(=O)NCc1ccc(C#N)cc1 79485219 LKXSJWHXIWDEDQ-AWEZNQCLSA-N 272.392 3.781 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 80866815 ZEIQVKNCKIQPNG-JKSUJKDBSA-N 298.430 3.993 30 20 CHED N#Cc1nc(Sc2cccc(F)c2)ccc1Cl 84489440 SPYKQLVNUJEKMF-UHFFFAOYSA-N 264.712 3.897 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@@H](CC)C2)c1 98029855 NHDQWEDFGYZGNP-CQSZACIVSA-N 288.391 3.905 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2cccc(F)c2F)c1 103030063 QLDQUVUNZMPRTD-UHFFFAOYSA-N 299.320 3.542 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1N1CCCC1 104980714 CRGHBIFIRLUSEE-UHFFFAOYSA-N 287.407 3.717 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 111789370 ZMVPRDPGLQJTNS-NSHDSACASA-N 294.345 3.633 30 20 CHED CC(C)(C)c1nnc(S[C@H](C#N)C2CCCCC2)[nH]1 115187006 LRBFDYKKAUDFBX-LLVKDONJSA-N 278.425 3.667 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)c2cccc(F)c2)CC1 116023583 VHSBDIDZCSWCLR-CYBMUJFWSA-N 275.367 3.744 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N(CCC#N)CC1CC1 116191470 ZQXBBYZSTZIUSO-OAHLLOKOSA-N 284.403 3.641 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 116862675 NCFGDVJQAABVPS-UONOGXRCSA-N 275.392 3.658 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(CSC)cc1 117005553 FJMQQCGZFYXBIB-NSHDSACASA-N 264.394 3.636 30 20 CHED C#CCCCCC(=O)Nc1ccc(CCSC)cc1 119792736 QPKYLTCNBKOGIC-UHFFFAOYSA-N 275.417 3.724 30 20 CHED C#CCCCCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 119839791 XKDRAYSZSRAAGH-SJORKVTESA-N 269.388 3.633 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1cc(Cl)ccc1Cl 120679843 HPLVEEXXVVFRKD-ZZXKWVIFSA-N 295.169 3.931 30 20 CHED CC(C)CN(Cc1ccc(C#N)s1)CC(F)(F)F 120754439 KBQMXWFFDKBJLX-UHFFFAOYSA-N 276.327 3.640 30 20 CHED CCCCCCCSc1nnc(-c2cccnc2)n1C 125330838 ZLEIFQWYEIFBIY-UHFFFAOYSA-N 290.436 3.940 30 20 CHED C[C@H]1CN(C(=O)Nc2cccc(C#N)c2)c2ccccc21 125849787 CTUOXVHRARKHFX-LBPRGKRZSA-N 277.327 3.714 30 20 CHED CC[C@H](C#N)Sc1nc(C)cc(C(F)(F)F)c1C#N 127254144 RIGFUWZNDMAEOZ-MRVPVSSYSA-N 285.294 3.675 30 20 CHED N#Cc1cc(Br)ccc1NC(C1CC1)C1CC1 132153894 KGGIRVNPLLGSQG-UHFFFAOYSA-N 291.192 3.921 30 20 CHED CCc1noc(C2CCC(Nc3cccc(C#N)c3)CC2)n1 132238525 XDFSFMWABNLARR-UHFFFAOYSA-N 296.374 3.642 30 20 CHED CCCCCCC[S@](=O)Cc1cccc(OC)c1 132892828 XDVVNKSWNBXOBT-GOSISDBHSA-N 268.422 3.914 30 20 CHED C=C[C@@H](Cc1nc(-c2ccncc2)no1)c1ccccc1 136458146 GTLHQXFRHHIHJQ-ZDUSSCGKSA-N 277.327 3.644 30 20 CHED Cc1cccc([C@@H]2CCCN2c2cccc(F)c2C#N)n1 150938286 BHYPSHAJHGZJOO-KRWDZBQOSA-N 281.334 3.742 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CCC[C@H](C)C2)s1 151977709 VIVDSWLADFUJHN-WDEREUQCSA-N 276.405 3.947 30 20 CHED COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 154334296 GMOFOIBXYXWJOQ-UGSOOPFHSA-N 292.382 3.905 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1sccc1C#N 154388359 WUTPRDQXMHOMIM-MNOVXSKESA-N 288.397 3.732 30 20 CHED C=CCC(CC=C)C(=O)NC1CCC(OC(C)C)CC1 156143127 GOQFRHPLDMFVTB-UHFFFAOYSA-N 279.424 3.607 30 20 CHED C=CCCCNc1ccc(CCC(=O)OCC)cc1 157191155 UOPGACZUXXHSSP-UHFFFAOYSA-N 261.365 3.560 30 20 CHED N#Cc1ccc(Oc2ccccc2OC(F)(F)F)nc1 157921756 HMOKRWUBHZVNQI-UHFFFAOYSA-N 280.205 3.644 30 20 CHED COc1cc(Oc2ccccc2)ccc1N[C@H](C)C#N 160310235 KIIZHRBHQHQZGA-GFCCVEGCSA-N 268.316 3.811 30 20 CHED C=CCN(C)C(=O)c1c(-c2ccccc2Cl)noc1C 161566939 AVRPCHSALCNCIB-UHFFFAOYSA-N 290.750 3.561 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3ccn(C)c3c2)CC1 173821627 OXIYYEAEAPTCHY-UHFFFAOYSA-N 283.375 3.608 30 20 CHED CCO[C@@H](CCN[C@@H](C)c1ccc(C#N)cc1)C(C)C 173957393 GPRBPMVMFGMJBK-YOEHRIQHSA-N 274.408 3.660 30 20 CHED Cc1ccc(CCCC(=O)N(C)c2cccc(C#N)c2)s1 175693030 GAAZCWXJMZFEIX-UHFFFAOYSA-N 298.411 3.914 30 20 CHED C[C@@H](OC(=O)C[C@@H]1C=CCC1)c1ccc(C#N)cc1 175783794 FBMCAHXMHLSBTB-CHWSQXEVSA-N 255.317 3.519 30 20 CHED COCc1nc2cc(NCc3ccc(C#N)s3)ccc2o1 175979706 XFEBAPGNKGPVCJ-UHFFFAOYSA-N 299.355 3.519 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(F)c(C#N)c2)C1 176088531 ICEBOARTLOTXEK-VXGBXAGGSA-N 289.354 3.740 30 20 CHED C[C@H](NC(=O)NCCCCC#N)[C@H](C)C1CCCCC1 178658858 VMHAEJJBMPELAS-KBPBESRZSA-N 279.428 3.584 30 20 CHED CCN(C(=O)c1ccccc1SC)c1ccc(C#N)cc1 178937409 LORRDJOKZYDBPR-UHFFFAOYSA-N 296.395 3.947 30 20 CHED CSc1ccccc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 179105731 VBUPRDLPLRADNA-WBMJQRKESA-N 288.416 3.611 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1 179413271 VXASUEUBBVUHCM-FNORWQNLSA-N 273.719 3.640 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cncc(-c3ccccc3)c2)C1 179971234 QLKZPZBJNJPBOD-DYVFJYSZSA-N 292.338 3.598 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 180277681 COUAJUKRASMMDH-RHSMWYFYSA-N 287.378 3.929 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](CC)Oc1ccccc1Cl 180400447 NWGSQZHPBVDEFF-CYBMUJFWSA-N 281.783 3.532 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@H](OCCC(C)C)C1 181414490 GKKVCQTVUKCETC-CVEARBPZSA-N 296.455 3.578 30 20 CHED COCCOc1ccc(C#N)cc1NCc1cccc(C)c1 181914076 FWXIZXGYFUXTJO-UHFFFAOYSA-N 296.370 3.504 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1 181978645 PUJMGSXADHPSLG-BXWFABGCSA-N 298.430 3.762 30 20 CHED CC(C)(CC#N)COC(=O)c1ccc(-c2ccccc2)[nH]1 184774294 RPNQIQRNZGKONS-UHFFFAOYSA-N 282.343 3.778 30 20 CHED COc1ccc(N/C(N)=N/CCC2=CCCCCC2)cc1 184816633 ZZDCIZAXKNXBJJ-UHFFFAOYSA-N 287.407 3.702 30 20 CHED CC(C)COc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 185792959 NTOUECNWMJBEAJ-DOTOQJQBSA-N 286.419 3.893 30 20 CHED Cc1c(N[C@@H]2CCC[C@H](C#N)C2)cnn1-c1ccccc1 185891242 XIXKRPVPCUZPNH-LSDHHAIUSA-N 280.375 3.675 30 20 CHED C[C@H](C#N)Sc1nc2cc(F)cc(Cl)c2o1 186807339 SLBIHTDYRILYCM-RXMQYKEDSA-N 256.689 3.624 30 20 CHED C=C(C)[C@H](NC[C@H](C#N)CCC#N)c1ccc(F)c(F)c1 187769406 ZUOUTHKKPHWCQN-LRDDRELGSA-N 289.329 3.615 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccccc1OC(F)F 188701378 UVGRFXXGYCAIEV-INIZCTEOSA-N 297.345 3.549 30 20 CHED C=CC[C@H](C(=O)N(C)CC1CCCC1)c1ccccc1 188789141 LNQIYJVQUYUZMM-KRWDZBQOSA-N 271.404 3.995 30 20 CHED CCCCCCCCCN1CCC[C@H]1c1nncn1C 192141727 XMPOCLKEYCKKKK-HNNXBMFYSA-N 278.444 3.703 30 20 CHED N#Cc1ccc(CNc2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)o1 192217777 LJCHVDCFTCQBAI-XJKSGUPXSA-N 293.370 3.752 30 20 CHED COc1cc(/C=C2\Cc3c(O)cccc3C2=O)ccc1C 193128273 PPTIFLVWLAURSY-MDWZMJQESA-N 280.323 3.532 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2ncsc2c1 193190585 BTYYYQOUSOQFCO-UHFFFAOYSA-N 273.361 3.502 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(CCC)cc1 194391121 PZKFGXBCINWIBC-ZDUSSCGKSA-N 261.365 3.559 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 211154665 BCNOUWRWPBPFSX-YVMONPNESA-N 289.237 3.769 30 20 CHED Cc1cccc([C@H](C)NCc2ccc(F)c(C#N)c2)c1 227349349 QEYFGUHNEHTFGE-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C#CCCCOc1cc(Br)ccc1C 228337345 OJOQDCLQJRDLMT-UHFFFAOYSA-N 253.139 3.550 30 20 CHED CCCCO[C@H]1C[C@H](NCc2cccc(C#N)c2)C1(C)C 236866397 XJKVTABTFBLHRQ-IRXDYDNUSA-N 286.419 3.632 30 20 CHED N#CCC[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 247027614 YFOATCNANWGQSY-DZJNRPSUSA-N 296.414 3.974 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 247772555 WIFHFGQGJAKZPK-UPJWGTAASA-N 281.359 3.565 30 20 CHED C=CCN(C(=O)c1cc(C)oc1C)c1ccccc1 247856982 YDLRFWFMJXBYNR-UHFFFAOYSA-N 255.317 3.729 30 20 CHED CCc1ccc(C=NOCc2ccc(C#N)cc2F)cc1 255013614 BVRCYBYSBZKHET-UHFFFAOYSA-N 282.318 3.810 30 20 CHED N#Cc1cc(NC(=O)C/C=C\c2ccccc2F)ccc1F 255417626 OTGQSCLRJSKMMC-HYXAFXHYSA-N 298.292 3.878 30 20 CHED CSc1ccc(C(=O)/C=C\c2cnn(C)c2)c(Cl)c1 255550943 VKWIONDAXMNEKY-UTCJRWHESA-N 292.791 3.692 30 20 CHED CO[C@@H](CNCC(C)(C)CCC#N)c1ccc(Cl)cc1 266157189 MNEVNTNEQKCLOE-HNNXBMFYSA-N 294.826 3.947 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cl)cn1 267835525 YBZXOQQRADEFIY-UHFFFAOYSA-N 294.786 3.529 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)c1ccc([S@](C)=O)cc1 271478540 JKZRWKGNJHVNPS-RFUYNDQBSA-N 279.449 3.819 30 20 CHED COCCCCN(CCC(C)(C)C#N)Cc1ccccc1 272032335 PMOTZPXNQJZOMM-UHFFFAOYSA-N 288.435 3.855 30 20 CHED COc1ccc2c(c1)[C@H](NCCCC#N)CCCS2 275740603 QIRZGGWMVJEQKK-CQSZACIVSA-N 276.405 3.516 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C(C)(C)C(C)C 275929905 RCXLOMVYXFCFTQ-UHFFFAOYSA-N 274.364 3.578 30 20 CHED CC[C@@H](N[C@H](C)CCC#N)c1nc(C(F)(F)F)cs1 276645613 YEQQQONIHSJAOE-RKDXNWHRSA-N 291.342 3.895 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 278146378 ANIFMQBXZZLLIX-UHFFFAOYSA-N 271.147 3.872 30 20 CHED C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1C 280067121 IOACOTFAZHACKZ-UONOGXRCSA-N 284.403 3.748 30 20 CHED N#CC1CCC(CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 281639255 MGDYQDBZPRPQFZ-UHFFFAOYSA-N 295.289 3.615 30 20 CHED N#CCOc1ccc(CN[C@H]2CCC[C@@H]2CCCF)cc1 282855942 XVGRYTYSUILWJT-WBVHZDCISA-N 290.382 3.597 30 20 CHED N#Cc1cccc(Cl)c1NCc1noc2c1CCCC2 288212187 LRKKVSHTKHJVBH-UHFFFAOYSA-N 287.750 3.691 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c(F)cccc1SCC 291793909 WKLAQMIXHPMTAA-LLVKDONJSA-N 297.395 3.857 30 20 CHED C=CCn1c(SC2CCC2)nnc1-c1cccs1 292550299 XENCBRSLUBWYNW-UHFFFAOYSA-N 277.418 3.837 30 20 CHED C#CCCCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 293859700 GLGPXRMVYIJXOX-QGZVFWFLSA-N 267.372 3.544 30 20 CHED C#CCOc1ccc(CN[C@H](CC)c2ccccc2O)cc1 294986727 KHPICMHWJUFJGA-GOSISDBHSA-N 295.382 3.645 30 20 CHED CCCN(CC(F)F)[C@@H](C)c1cccc(C#N)c1 298108118 LUYYOAJTIKLFMP-NSHDSACASA-N 252.308 3.596 30 20 CHED C[C@@H](c1ccccc1)N(C)c1ccc([N+](=O)[O-])cc1C#N 301073073 XBKAJGSGCIVFQW-LBPRGKRZSA-N 281.315 3.664 30 20 CHED C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(C#N)cc1F 301742276 LPJLCAFQOWLEMV-PXAZEXFGSA-N 284.334 3.621 30 20 CHED Cc1ccc(N/C(N)=N/[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 304757488 OYMQUMSPMIAEAY-JKSUJKDBSA-N 299.805 3.931 30 20 CHED C=C(Br)CN1C[C@H](C)Cc2ccccc21 307158818 BTEAFXZMSSCGIR-SNVBAGLBSA-N 266.182 3.594 30 20 CHED C=C[C@H](C)N[C@@H](C)Cc1ccc(F)cc1Br 309569022 NBKCOLCLSIRONI-UWVGGRQHSA-N 286.188 3.683 30 20 CHED Cc1[nH]c2ccc(C(=O)N(CCC#N)CC(C)C)cc2c1C 314825663 ZZOWJQXWNUCEHX-UHFFFAOYSA-N 297.402 3.797 30 20 CHED CC(C)(CC#N)CNC(=O)c1cccc(Cl)c1Cl 315435278 DYYJHZKQWZHLIN-UHFFFAOYSA-N 285.174 3.663 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc2nccnc2c1 329092005 JUNQMOJMVHGTPL-GZBFAFLISA-N 295.386 3.903 30 20 CHED C[C@]1(/N=C(/O)CCc2ccc3[nH]ccc3c2)CCCOC1 329216353 OIPPTGUAIRLEHJ-KRWDZBQOSA-N 286.375 3.626 30 20 CHED N#CC1(/C(O)=N/C2[C@H]3CC[C@H]2Cc2ccccc2C3)CCC1 329228014 IKIGMNWJPYAKMA-HOTGVXAUSA-N 294.398 3.830 30 20 CHED Cc1ccc2c(c1)[C@@H](N/C(O)=N/[C@@H]1CCC[C@H]1C#N)CCC2 329365817 GQDMAOJFOFTRAM-UAGQMJEPSA-N 297.402 3.568 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCCC1(F)F)CC2 334672213 SLAMCYLAZHKHLC-ZFWWWQNUSA-N 276.330 3.571 30 20 CHED C=CCCSCC(=O)N[C@@H](CCC)c1ccccc1 339092590 VLECYOWBTSMBMW-HNNXBMFYSA-N 277.433 3.953 30 20 CHED N#CCCCN=c1ccc2ccc(Cl)c(Cl)c2[nH]1 343600475 KKOSMPSLBSRCGO-UHFFFAOYSA-N 280.158 3.679 30 20 CHED CCc1cnccc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 344296365 LVHLHKFXZHIOPE-KBPBESRZSA-N 279.387 3.927 30 20 CHED C=C(CNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 345717343 UIHUJBBPOOGSAQ-QGZVFWFLSA-N 295.407 3.533 30 20 CHED Cc1ccc(CCC(=O)NCC(C)(C)CCC#N)c(C)c1 345879797 FPQKFDOQJXPZOL-UHFFFAOYSA-N 286.419 3.682 30 20 CHED CC(C)CCc1nc(CN2CCC(F)(C#N)CC2)cs1 352466374 CGSMPROCRAGLDB-UHFFFAOYSA-N 295.427 3.559 30 20 CHED Cc1ccsc1CNC(=O)C[C@@H](CC#N)c1ccccc1 355114665 QAXSPFCJIBIAGF-OAHLLOKOSA-N 298.411 3.760 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCc3ccc(F)cc32)C1 355476572 UISDPBRLRHYIIJ-SRCQZFHVSA-N 272.367 3.875 30 20 CHED C[C@@H]1CCCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 356815846 CVHCGLZFMBWKIV-NVXWUHKLSA-N 284.403 3.723 30 20 CHED C=CC[C@@H](C)N[C@H]1CCCOc2cc3c(cc21)CCC3 358049770 RUHHBCAJNVUHPE-DYVFJYSZSA-N 271.404 3.943 30 20 CHED N#CCCCN[C@H]1CCCc2cc(Br)ccc21 358977768 FCFQFZNBHZJVJY-AWEZNQCLSA-N 293.208 3.720 30 20 CHED C=CCOCCCSCc1ccn(C2CCCC2)n1 359142643 ZJQQRAQTHCOSDP-UHFFFAOYSA-N 280.437 3.824 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCOc2c(F)ccc(F)c21 361251500 NYJCEMXEGSLYPA-CYBMUJFWSA-N 294.345 3.708 30 20 CHED COc1cccc([C@@H]2C[C@H](C)CN2c2cc(C#N)ccn2)c1 367269771 IRCNPWZXMHCWCI-GUYCJALGSA-N 293.370 3.549 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C 374250442 SUVNRLSTFRSOAT-AEFFLSMTSA-N 283.415 3.975 30 20 CHED N#Cc1cc(F)cc(OCc2cccc(F)c2F)c1 388768547 LQFKDRXNWNOCHJ-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1C 409695830 KPNPRNPFKIRVSI-DOTOQJQBSA-N 286.419 3.963 30 20 CHED CC[C@@H](CC(=O)Nc1cnc(C#N)c(Cl)c1)C(C)C 411037241 ZNNYRXRLQSGINL-JTQLQIEISA-N 279.771 3.617 30 20 CHED CC(C)C[C@H](NCCC#N)c1ccc(Cl)cc1 411479225 ZGIIPTKKFUHVQU-AWEZNQCLSA-N 250.773 3.930 30 20 CHED CC#CCCNC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 413457826 LQWSGRQJDHYDEF-ZWKOTPCHSA-N 298.430 3.768 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1nc(C(F)(F)F)cs1 414158465 ABUKLZOXQNZYAG-QMMMGPOBSA-N 291.342 3.752 30 20 CHED C=C[C@H](CO)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 414163398 NCOOTWGTQZJSAZ-IMJJTQAJSA-N 279.811 3.503 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(F)cc1F 424549176 VUNHDMWTSXYCSN-SNVBAGLBSA-N 267.319 3.744 30 20 CHED CCc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cn1 425368398 WOQMTDLDITUHPT-CQSZACIVSA-N 279.387 3.709 30 20 CHED CCCC1(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 425641740 WTWZQQKAWSCFOK-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED C=CCN(CCC#N)Cc1cnc(-c2ccc(C)o2)s1 430082425 DXFYMYZDZWPAEC-UHFFFAOYSA-N 287.388 3.613 30 20 CHED C=CCN(CCC#N)Cc1c(CC)oc2ccccc12 430091825 ZBWWMCRAMMGLAX-UHFFFAOYSA-N 268.360 3.897 30 20 CHED CCc1ccc([C@@H]2CCN(c3cc(C#N)ccn3)C2)cc1 431507663 OEYMEFOKVKUUAN-QGZVFWFLSA-N 277.371 3.510 30 20 CHED Cc1ccc([C@@]2(C)CCN(c3nccc(C)c3C#N)C2)cc1 432929107 VWUVAMUWYYSITN-IBGZPJMESA-N 291.398 3.738 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)c2ccccc21 435160034 CABMHAUHEZSODH-LLVKDONJSA-N 295.317 3.853 30 20 CHED CCN(Cc1ccc(C#N)cc1OC(F)F)CC(C)C 437159305 FASRFLSFZYAPHV-UHFFFAOYSA-N 282.334 3.638 30 20 CHED CC[C@@H](SC)C(=O)N(CC(C)C)c1ccc(C#N)cc1 437206782 FKXPTGCVLQPSTM-OAHLLOKOSA-N 290.432 3.689 30 20 CHED C=C(C)CN(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 441230105 UYJXZSKDKWBXQG-ZIAGYGMSSA-N 281.827 3.530 30 20 CHED CCOc1ccc(Cl)cc1CCN[C@@H]1CC[C@H](C#N)C1 442821396 DPSFCKBQMMNJFN-SWLSCSKDSA-N 292.810 3.563 30 20 CHED C=CC[C@@H]1N(C(=O)c2csnc2C)CCCC1(C)C 443867372 KGIYWXWTNCJUSQ-ZDUSSCGKSA-N 278.421 3.658 30 20 CHED N#CCc1ccc(NCc2cnc(C(F)(F)F)s2)cc1 443975820 BXBCQYREXYSBSE-UHFFFAOYSA-N 297.305 3.840 30 20 CHED CC1(C)CCCN(CCCCC(F)(F)F)[C@H]1C#N 444737064 WNVDVITYGVZFNR-NSHDSACASA-N 262.319 3.733 30 20 CHED C=CC[C@@H]1N(CC[C@H]2CCCO2)CCCC1(C)C 444777655 SXTQHORTHKLPKV-CABCVRRESA-N 251.414 3.622 30 20 CHED C=CC[C@H]1N(C(=O)N[C@H](C)CC2CC2)CCCC1(C)C 444975311 LJRAELWRVFJXDP-UKRRQHHQSA-N 278.440 3.951 30 20 CHED N#Cc1ccc(/C=C\c2ccc(Cl)cc2F)nc1 445537601 KEIJKIACNZLLFU-UTCJRWHESA-N 258.683 3.916 30 20 CHED C[C@@H](CN[C@H]1CCC[C@@H](C#N)C1)Oc1ccc(Cl)cc1 446972693 AVVMPCSMUCUQCK-GUTXKFCHSA-N 292.810 3.779 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC[C@H](CC)c1ccccc1 449548876 RMRZSVZUEBDRMG-UAGQMJEPSA-N 259.393 3.503 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cccc(SCC)c1 449549138 VCSOUDANOQFONI-CVEARBPZSA-N 277.433 3.622 30 20 CHED C=CCC1(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CCCC1 449592791 ZAAVYDGTNDVTKX-HOTGVXAUSA-N 292.467 3.502 30 20 CHED C=C(CC)CN[C@H](CC)Cc1ccc(OC)c(OC)c1 449733769 JUTKBFUHHYRSEU-OAHLLOKOSA-N 277.408 3.581 30 20 CHED C=CCC1(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CCCC1 450141470 SQCOGHWVBNQYHR-YESZJQIVSA-N 281.399 3.577 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CCC1CCCC1 450165020 XAWKIPVKWMHPCX-ZACQAIPSSA-N 291.435 3.539 30 20 CHED Cc1ccc(Cl)c2ccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)nc12 450421185 SHUBYQYQMGGEOM-MGPLVRAMSA-N 299.761 3.685 30 20 CHED CO[C@]1(C)CCCN(c2cccc(Cl)c2C#N)CC1 450496577 YTLBGSJXXJXQSF-OAHLLOKOSA-N 278.783 3.607 30 20 CHED C=CCC1(C(=O)NCC2(OCC)CCCC2)CCCC1 452151847 OEGVPURSUIBIKY-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccccc1OC(F)F 453354316 KVLLJICFDZGMOV-MJBXVCDLSA-N 297.345 3.672 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 454202953 KQTJPEGRNPDRJO-LLVKDONJSA-N 298.333 3.614 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 454963911 RIVNBFMLCXDNSR-ZIAGYGMSSA-N 291.439 3.536 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1ccsc1 455303276 AANOZMKNHKXWNJ-ZDUSSCGKSA-N 264.394 3.561 30 20 CHED C=C(CC)CNC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 455515923 CCRWEHBTJBMQCU-DZGCQCFKSA-N 290.382 3.679 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455990264 HJVLADGIQTUEDL-OAHLLOKOSA-N 298.430 3.988 30 20 CHED C/C(=C\c1ccccc1)CN(C)C(=O)NCC(C)(C)CC#N 459240887 QQKKXMDAKCHKSA-NTCAYCPXSA-N 299.418 3.671 30 20 CHED C[C@@H](CCc1ccc(F)cc1)NCC(C)(C)CC#N 459730231 LQFGDBLNHVSIQH-ZDUSSCGKSA-N 262.372 3.676 30 20 CHED CC#CCCSCc1cc(-c2ccccc2)no1 462352416 MXGQRQWNVFXWSL-UHFFFAOYSA-N 257.358 3.988 30 20 CHED CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 463765561 BEQJXKSSZZSVGW-INIZCTEOSA-N 286.419 3.969 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@](C)(CC)C1 464589960 DFIMRUYWJUJWHN-SFHVURJKSA-N 287.403 3.904 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C 465136860 RBAMQPHLUVROML-OCCSQVGLSA-N 260.381 3.648 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cnn(Cc2ccccc2)c1 467412521 IRTTYCQQELIKBS-QAPCUYQASA-N 283.419 3.937 30 20 CHED C=C(C)CN(C)C(=O)NC[C@H](Cc1ccccc1)C(C)C 469323152 FOODZKWIOUBKSY-KRWDZBQOSA-N 288.435 3.719 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Oc1cccc2ccccc12 469816949 GFCDBEMFHLFKMZ-AWEZNQCLSA-N 283.371 3.642 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 472792719 QQRYFHVECXKAPW-HOTGVXAUSA-N 296.455 3.626 30 20 CHED Cc1c(CNCc2ccc(C#N)s2)n(C)c2ccccc12 475192071 QALZFUTUBFSFME-UHFFFAOYSA-N 295.411 3.710 30 20 CHED CCOC(=O)[C@@H](CC)SCc1ccc(Cl)cc1C#N 479097791 OLQWXYHCJOVWSQ-CYBMUJFWSA-N 297.807 3.787 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)n([C@@H](C)CC)n1 480818638 UQFORKYPNDCCAH-STQMWFEESA-N 277.412 3.637 30 20 CHED CCC[C@H](C(=O)N(CCC#N)CCC(C)C)C(C)C 486320027 PEXGBGRUILLZQD-HNNXBMFYSA-N 266.429 3.847 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1ccc(C#N)s1 486635894 CTPIIJQGZUDTJT-LLVKDONJSA-N 264.394 3.564 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC4(CCC4)C3)c2c1 487755006 MXOHHNJRDMHSFX-UHFFFAOYSA-N 277.371 3.795 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)c(OC(C)C)c1 489538442 CQIRKYGHPZPIFE-UHFFFAOYSA-N 276.380 3.822 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(CC)c1CC 489632121 VMTBYIYRIORAOB-GOSISDBHSA-N 289.419 3.979 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(CC)cc1 490211629 HOHHCGDKLPORQK-UHFFFAOYSA-N 283.371 3.713 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C\c1ccccc1 492720336 ZDHGRQBGYALSGP-QXMHVHEDSA-N 270.376 3.631 30 20 CHED CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 503907732 IOWPJTMUUWYBFP-MAZHCROVSA-N 260.356 3.805 30 20 CHED C=C(C)[C@H](NCC[C@H](C)F)c1ccc(F)c(F)c1 509135646 HSSFVZTZZGKHTB-HZMBPMFUSA-N 257.299 3.920 30 20 CHED Cn1c(CCSc2ccc(C#N)cc2)nc2ccccc21 509954483 VKTMFILOPWBFCV-UHFFFAOYSA-N 293.395 3.780 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCNc1cccc(F)c1C#N 515550423 KTYCCCBWYGKDIE-WBMJQRKESA-N 276.355 3.705 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@@H](C)CCC=C(C)C 521627467 ZPXYATOEAVUJOP-KBPBESRZSA-N 250.386 3.567 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 529272242 OABNPBVJLJBRKZ-WVZRYYJFSA-N 287.403 3.803 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCc3c(C)cccc32)CC1 530281415 VRFJMHUAOSBGIT-MRXNPFEDSA-N 269.388 3.845 30 20 CHED C=CCCCN1CCn2cccc2[C@@H]1c1ccccc1 533034426 LDXJLUAGNUAEKW-SFHVURJKSA-N 266.388 3.859 30 20 CHED C=C(C)[C@H](CC(=O)NC(C)(C)c1cccc(C)c1)OCC 534396609 ICGPBSXDXHCMTN-INIZCTEOSA-N 289.419 3.718 30 20 CHED CC[C@H](C)n1ncc(Nc2cccc(C#N)n2)c1C1CC1 534980038 MYDRILUCBWHNJF-NSHDSACASA-N 281.363 3.742 30 20 CHED COc1cc(CN(CCC#N)C(C)C)ccc1OC(C)C 536639786 IAYXJZCSQSFUIF-UHFFFAOYSA-N 290.407 3.606 30 20 CHED COc1ccccc1-c1ccc([C@H](C)NCC#N)cc1 537156677 UCFPOPRXVNTHKR-ZDUSSCGKSA-N 266.344 3.536 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](C)CCC[C@H]1C 539402242 DHGSSJCNQDQDSV-HZPDHXFCSA-N 281.440 3.787 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)C[C@H]1C 544545363 ITXMVGLFAUPXJA-IOASZLSFSA-N 285.391 3.699 30 20 CHED N#Cc1cccc(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)O)c1 566495329 ZCJHRHGAWFUMAY-HKUYNNGSSA-N 289.334 3.514 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCCc3c2[nH]c2ccccc32)C1 568076119 RCYZVWADVFORLS-IGCXYCKISA-N 279.387 3.827 30 20 CHED Cc1ccc([C@@H](C)N(C)c2nccc(C)c2C#N)cc1 568556568 JBGFVEQEDLQYOB-CQSZACIVSA-N 265.360 3.768 30 20 CHED CC1=C(C(=O)N(CCC#N)C(C)C)CCC(C)(C)C1 569313674 VQZMPFHJQBURQX-UHFFFAOYSA-N 262.397 3.664 30 20 CHED C=CCCCSCc1cccc(C(=O)OC)c1 569735488 AVFBUKRBUKHLPN-UHFFFAOYSA-N 250.363 3.673 30 20 CHED N#Cc1ccc(CNC2(c3ccc(F)cc3)CCCC2)nc1 570938189 MNJZSXUEQQWMOV-UHFFFAOYSA-N 295.361 3.651 30 20 CHED CC#CCN(C)C(=O)c1sccc1-c1ccc(C)cc1 573008392 GGDICKMSLJNWDN-UHFFFAOYSA-N 283.396 3.819 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccc3ncccc3c1)CC2 577255116 CKVPTZLUQJPKGN-UHFFFAOYSA-N 285.350 3.669 30 20 CHED Cc1cccc([C@@H]2CCCCN2c2ccnc(C#N)n2)c1C 579613542 SSPVPLJVRHSSOE-INIZCTEOSA-N 292.386 3.697 30 20 CHED COc1cc(C#N)ccc1CNc1cccc(F)c1Cl 583658745 NRUIIKMVQZBRMN-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 584707177 DOAPKQXMSCDEPE-XDKFSHSGSA-N 296.414 3.747 30 20 CHED N#CCCCCCC(=O)Nc1ccc(Br)cc1 588148062 PPTWAIQBCQPPOX-UHFFFAOYSA-N 295.180 3.862 30 20 CHED COc1ccsc1C(=O)/C=C\c1cnc2c(C)cccn12 588489008 FTHYCWZHQMSCFP-WAYWQWQTSA-N 298.367 3.609 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)CCCCCC#N 588672986 WEAWVALIWGVOHU-RYUDHWBXSA-N 290.329 3.650 30 20 CHED COC1(CCNc2nc(C(C)(C)C)ccc2C#N)CCC1 590141226 NBXCRLSOMIGMNL-UHFFFAOYSA-N 287.407 3.622 30 20 CHED COc1ccc(F)c(CN[C@H](C)c2cccc(C#N)c2)c1 590186798 AYKZKARTWQVAOP-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CN(C)[C@H]1CCc2cc(NC(=O)CCCCCC#N)ccc21 590874244 OHMBDDQKLOZNLO-KRWDZBQOSA-N 299.418 3.648 30 20 CHED CO[C@@H](CN[C@@H](CCC#N)c1ccccc1)CC(C)C 591375702 UBLJTCDXTGYMFS-SJORKVTESA-N 274.408 3.682 30 20 CHED CC[C@H](C(=O)N(C)c1ccc(C#N)nc1)C1CCC(C)CC1 593277583 WQJONJRKGFLZEH-KVULBXGLSA-N 299.418 3.769 30 20 CHED N#Cc1ccc2c(c1)CN(C[C@@H]1C[C@H]1c1ccccc1)C2 594028661 SJXHHIXBQHRRDU-OALUTQOASA-N 274.367 3.678 30 20 CHED COc1ccc2c(c1)CCN([C@H](C)c1cccc(C#N)c1)C2 595758812 HIWCZSIOBJFZHI-CQSZACIVSA-N 292.382 3.686 30 20 CHED N#Cc1c(F)cccc1-c1ccc(C[C@@H](O)C2CC2)cc1 596638897 FISHSTIMYXADCL-GOSISDBHSA-N 281.330 3.678 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)c1ccc(C2CC2)cc1 596743833 KOKZUHUAKFSOOV-UHFFFAOYSA-N 290.366 3.708 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)C1CCC2(CC1)CC2 598842318 AOMULDAYQCFKPQ-UHFFFAOYSA-N 294.398 3.808 30 20 CHED CCC[C@H](C(=O)NCCCC#N)c1cccc(Cl)c1 599751325 TVMLCXHQPLIQSE-AWEZNQCLSA-N 278.783 3.644 30 20 CHED N#Cc1c(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)sc2c1CCCC2 600844276 NMMOWUZOCLWEIY-GMXVVIOVSA-N 298.411 3.649 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(C2(C#N)CC3(CC3)C2)n1 601361784 FSMWCNXEEMAMHG-RYUDHWBXSA-N 271.364 3.699 30 20 CHED Cc1sccc1NC(=O)CC1(C#N)CCCCC1 601824875 LDZKQYGRXRPEND-UHFFFAOYSA-N 262.378 3.859 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C[C@@H]1CCC[C@H]1C 602386125 HVVBKSHMEPEFTR-OCCSQVGLSA-N 288.366 3.817 30 20 CHED CCSc1ccc([C@@H](C)NCc2cccc(C#N)n2)cc1 602539114 CVTYGVFCDQEUSW-CYBMUJFWSA-N 297.427 3.916 30 20 CHED Cc1csc(C2(NCC3(CC#N)CC3)CCCC2)n1 602792919 MVQOTHIYZNIZFI-UHFFFAOYSA-N 275.421 3.504 30 20 CHED C=CCCSCCCOCCc1ccccc1 610092738 VEDWSPSYNUCNDB-UHFFFAOYSA-N 250.407 3.945 30 20 CHED C[C@@H](C(=O)N(C)c1cc(Cl)ccc1C#N)c1ccco1 610794838 ZRTZWPPOADXOSI-SNVBAGLBSA-N 288.734 3.571 30 20 CHED CC(C)c1cc(CN[C@@H](C)c2cccc(C#N)c2)on1 611438591 UJYSHVROJCYGSN-LBPRGKRZSA-N 269.348 3.520 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C3CC3)n2CC(C)C)C1 611757467 FRSMHNYIVOJDKY-CQSZACIVSA-N 288.439 3.604 30 20 CHED Cc1cc(C#N)ccc1COc1ccccc1-n1ccnc1 614392133 DEGPWRGBVMNUJT-UHFFFAOYSA-N 289.338 3.631 30 20 CHED C=CCCNC(=O)[C@H](C)c1c(Cl)cccc1Cl 617615440 MDYGIDRZSRYZNU-SECBINFHSA-N 272.175 3.789 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 617788842 SLMAZHIRAAGZFN-CQSZACIVSA-N 282.387 3.607 30 20 CHED CCCC1(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CCC1 618787751 NGHFQVNXAAYCFG-INIZCTEOSA-N 282.387 3.632 30 20 CHED CC(C)CC[C@@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618795387 QPWPUMWRROIUKX-DYVFJYSZSA-N 299.418 3.669 30 20 CHED CC(C)[C@@H](CNC[C@@H](C)CCC#N)Nc1ccccc1 618887677 DXHMVVUAJKCDLG-DOTOQJQBSA-N 273.424 3.653 30 20 CHED C=CCC1(NC(=O)CCc2cccc(F)c2F)CCCC1 619104300 KJRGNCJLUDDBEW-UHFFFAOYSA-N 293.357 3.903 30 20 CHED CC(C)C(NC(=O)C[C@H](CC#N)c1ccccc1)C(C)C 619440422 DRCZRNLRKGKIRT-INIZCTEOSA-N 286.419 3.871 30 20 CHED C=C[C@H](S[C@H](C)c1ccc(Cl)cc1)C(=O)OC 619689189 RISVXYPEXDYSIP-SKDRFNHKSA-N 270.781 3.862 30 20 CHED N#Cc1ccc(CNCc2cc3ccccc3[nH]2)cc1Cl 619748619 OWHYPWGDYLJANB-UHFFFAOYSA-N 295.773 3.983 30 20 CHED C=CCC1(NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)CCCC1 628112796 ZIIXBNHNEYKGKS-IXDOHACOSA-N 281.399 3.577 30 20 CHED C=CCCCCCN(C)C(=O)c1cn(-c2ccccc2)cn1 649758074 FJKVYPAAVPRDRN-UHFFFAOYSA-N 297.402 3.691 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC1(CC)CCOCC1 657898598 FJXZMVMFJUMRCX-HOTGVXAUSA-N 265.441 3.918 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2Cc1c(Cl)cccc1C(=O)O 659802068 OJFZOXPPPLUDBW-TXEJJXNPSA-N 291.778 3.721 30 20 CHED C=CCCNC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 663881986 UEYPHOBFTYGWDX-UHFFFAOYSA-N 299.201 3.858 30 20 CHED C=CCCNC(=O)Nc1ccc2oc(C(C)C)nc2c1 665947218 GLQLXXSRZROAEH-UHFFFAOYSA-N 273.336 3.649 30 20 CHED CCC#C[C@H](C)Sc1nnc(SCC)s1 671144294 RNBQWDHGHLNNIB-QMMMGPOBSA-N 258.437 3.544 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)C1CC1 678495923 HVPNDSONBNSZRR-NSHDSACASA-N 297.320 3.986 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCCc2c(C)cccc21 682083192 KGMWUTAIUCPEFU-SFHVURJKSA-N 287.403 3.503 30 20 CHED COc1cccc2cc(C=Nn3cnc4ccccc43)oc12 725849708 QNLOHJHCTHVYEL-UHFFFAOYSA-N 291.310 3.673 30 20 CHED CCNC(=S)Nc1cccc(Oc2ccc(C#N)cc2)c1 729159993 FQSMTPPGHCMWEI-UHFFFAOYSA-N 297.383 3.657 30 20 CHED N#Cc1cccc(C(=O)OC[C@@H]2CCCc3ccccc32)c1 729219439 QLZGSMUWXJCIGS-KRWDZBQOSA-N 291.350 3.835 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2cccc(C(=O)O)c2)o1 732761499 GXCBILAHVZSKQN-QMTHXVAHSA-N 284.315 3.547 30 20 CHED C#CC(C)(C)NC(=O)c1cc2c(s1)-c1ccccc1CC2 733873069 FEYUELGFNASFBS-UHFFFAOYSA-N 295.407 3.655 30 20 CHED CC(=NNc1cccnn1)c1ccc(Cl)c(Cl)c1 735977483 ZRKVXIKCKNEJBY-UHFFFAOYSA-N 281.146 3.620 30 20 CHED Cc1ccc(F)c(C=NNc2cccc(C(F)(F)F)n2)c1 739421289 IMLXBSFRVILVPO-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CCCC(CCc1ccccc1)=NNc1cccnn1 740763013 TXXCEHNTKYLSOK-UHFFFAOYSA-N 268.364 3.677 30 20 CHED COc1cccc(/C=N/[C@@H]2C[C@H]2C2CCCCC2)c1O 741465380 VBSIJENPUOMJEB-WCOBSMKMSA-N 273.376 3.789 30 20 CHED CC(C)Oc1cccc(CNCc2cc(C#N)ccc2F)c1 742381933 TUDKRSPYPPWQCL-UHFFFAOYSA-N 298.361 3.774 30 20 CHED Cc1ncsc1C=NNc1nc2ccccc2s1 743418445 DQVHQAXPIIIRHL-UHFFFAOYSA-N 274.374 3.507 30 20 CHED C[C@H](NC(=O)/C=C\c1ccccc1F)c1cccc(C#N)c1 743777475 VYIWUDBHUVBCNF-XPSMFNQNSA-N 294.329 3.588 30 20 CHED CCC(=NNCc1ccccc1Cl)C1CCOCC1 745195751 IPNMRXKXEPZLHI-UHFFFAOYSA-N 280.799 3.622 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)c1ccncc1 748085326 CLOAYBGFFWDYBH-UHFFFAOYSA-N 287.366 3.872 30 20 CHED C[C@@H]1CCc2c(F)cccc2C1=NNc1ccccn1 748244223 JZTNDFAAXIYHAY-LLVKDONJSA-N 269.323 3.619 30 20 CHED CCC/C(C)=C/C(=O)N[C@H](CCC#N)c1ccccc1 749045994 RZESPMBPKKITJB-FIFPYPGSSA-N 270.376 3.894 30 20 CHED COc1ccc(CN2Cc3ccccc3[C@H](C)C2)cc1C#N 749514087 IECNKQREOOIWRD-CQSZACIVSA-N 292.382 3.686 30 20 CHED COc1ccc(C=NNc2cccc(Cl)c2)cc1F 751374956 VMHQJGDETHDBME-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C=CC[C@@H](C)NC(=O)/C(C)=C\c1ccccc1Cl 755903032 LOAYJXVCGBLKMW-NLYDNYMLSA-N 263.768 3.824 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)ccc1F 756257152 DJYCAAOPSNECHY-KXFIGUGUSA-N 287.240 3.872 30 20 CHED N#CCC1(COC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 756565857 BJVRIXQOHNUWHQ-QLFBSQMISA-N 275.392 3.830 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 757468283 PYHLVQNYXZOZIM-VQHVLOKHSA-N 283.283 3.505 30 20 CHED C#CCN(Cc1csc(C2CC2)n1)C1CCCCC1 759127549 CKVWSFGLWUSTRS-UHFFFAOYSA-N 274.433 3.788 30 20 CHED O=[N+]([O-])c1cccnc1NN=Cc1ccc2ccccc2c1 759202272 VYZFRWISYPKDIH-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C[C@@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1(C)C 761226307 OLNQJNVNUPSZTK-MRXNPFEDSA-N 299.462 3.904 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)c1ccc(C)o1 762620640 VFVBQHUHLBKWCB-ZDUSSCGKSA-N 276.380 3.670 30 20 CHED Fc1ccccc1NN=Cc1c[nH]c2cccc(F)c12 763354785 VJUUVAWFQLWKQP-UHFFFAOYSA-N 271.270 3.892 30 20 CHED Cc1cc(/C=C2/Cc3ccccc3C2=O)ccc1C#N 766484243 MRFCGNPMCOYQOD-SXGWCWSVSA-N 259.308 3.689 30 20 CHED CC1CCC(=CC(=O)N[C@@](C)(C#N)C(C)(C)C)CC1 766583598 NXDHWTURNWYMHU-INSVYWFGSA-N 262.397 3.567 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCCCC#N 766618596 AHTVBJPCSDPTPW-KTKRTIGZSA-N 297.185 3.817 30 20 CHED Fc1cc(Cl)c(NN=C[C@H]2CCOC2)c(Cl)c1 767909586 KICMEWNLHMBEQN-SSDOTTSWSA-N 277.126 3.567 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccccc2C(=O)O)C1 768353923 CEVBGWJMHCYNBF-VXGBXAGGSA-N 260.337 3.609 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCCc1ccccn1 768718942 PCCGESZMRNSGNM-UHFFFAOYSA-N 288.391 3.668 30 20 CHED CCC1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 768932068 WSIVDMAJAJMZMG-CQSZACIVSA-N 272.392 3.599 30 20 CHED C=CC[C@H]1N(C(=O)c2csc(C=O)c2)CCCC1(C)C 769643384 NXGFHGUVNHGLKL-CQSZACIVSA-N 291.416 3.768 30 20 CHED C#CCOc1ccc(CNc2cccc3ccncc23)cc1 770571598 RRHWGGUBADEDQX-UHFFFAOYSA-N 288.350 3.859 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)c(O)c1 772799312 BBXQKMUJQQYREF-FNORWQNLSA-N 281.286 3.608 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc(C)ccc1OC(F)F 772999103 ICHURXNLZDQYMZ-JTQLQIEISA-N 275.726 4.000 30 20 CHED COc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)ccc1C 773123865 HDMMBYYYBGTQSC-ALCCZGGFSA-N 296.322 3.628 30 20 CHED C=C(CC)CNc1cc2c(cc1Cl)OCCCO2 773200149 FXHLLEAIPSTACR-UHFFFAOYSA-N 267.756 3.879 30 20 CHED C#CCN(C(=O)N(C)Cc1ccccc1)C1CCCCC1 774847224 OPCDMXTWUHODQX-UHFFFAOYSA-N 284.403 3.506 30 20 CHED C#CCCOC(=O)c1ccc(C(F)(F)F)cc1Cl 775238425 LXFWGFSPMGCAOK-UHFFFAOYSA-N 276.641 3.539 30 20 CHED N#C[C@H](OC(=O)c1cc(F)cc(F)c1)C1CCCCC1 776363546 FLQUUKCXQIPDCV-AWEZNQCLSA-N 279.286 3.594 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1ccc(CF)cc1 776907701 NAVWBZAWFUWECX-UHFFFAOYSA-N 295.423 3.814 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)C1CCSCC1 777434272 SPOJUVFVWSYVJJ-UHFFFAOYSA-N 292.408 3.601 30 20 CHED C=CCNC(=S)NCc1ccc(-c2ccccc2)c(C)c1 777486641 SQTGFVOMBZRZFK-UHFFFAOYSA-N 296.439 3.812 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 777916389 ZCTKFOZAKHAFKU-CLFYSBASSA-N 277.295 3.897 30 20 CHED C#CCCCCCC(=O)N[C@@H](CC)c1ccc(OC)cc1 779745490 BSOBDTSEBUIQLE-KRWDZBQOSA-N 287.403 3.846 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(C)c(C)c1 780247315 QRIXVXGMHSJBBY-MRXNPFEDSA-N 274.408 3.575 30 20 CHED CC1(C(=O)OCc2ccc(F)cc2C#N)CCCCC1 781269975 XWZPGUGATCLILF-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C(=NNc1ccccc1)c1cnc(-c2ccco2)s1 782098219 SAJXARKCVNDQAY-UHFFFAOYSA-N 269.329 3.849 30 20 CHED C[C@H](NN=Cc1ccc2cnccc2c1)c1ccccc1 782200411 FPTHHHROHRNNNH-AWEZNQCLSA-N 275.355 3.920 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1ccc(C#N)c(F)c1 782288171 PAAYQEKOLCORLL-HNNXBMFYSA-N 273.355 3.590 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cncs2)cc1F 782324953 IZZFBLMKUPSEBC-HYXAFXHYSA-N 277.320 3.577 30 20 CHED C=C(C)CNC(=S)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 782445361 MRGNQOYOPXKCOC-GDBMZVCRSA-N 288.460 3.623 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(Cl)c(F)c1 784469393 YECSFDGYUCSZMF-UHFFFAOYSA-N 283.730 3.966 30 20 CHED C=CCCN(C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 786443154 HKNHWVRUDIKXIX-AWEZNQCLSA-N 282.387 3.675 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccc(OC)cc1 786636291 CWYVYRMUKOPLGG-LRDDRELGSA-N 262.349 3.902 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C(=C/C)CC 788764606 COCLMBBZTQCRFV-FZSIALSZSA-N 257.377 3.600 30 20 CHED C=CCN(Cc1cc(OC)ccc1O)c1ccccc1 789572729 VEBZZFBWOSPSQT-UHFFFAOYSA-N 269.344 3.593 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCCC2)c1ccncc1 792860777 YDIXQTUIVBGFIH-VURMDHGXSA-N 263.340 3.857 30 20 CHED Cc1cccc(F)c1NN=C[C@]1(C)CCCS1 793040023 BTCKUAIKMWNSIO-ZDUSSCGKSA-N 252.358 3.818 30 20 CHED COc1ccc(C=NNCC2(C)CCCC2)c(C)c1OC 793083564 AUMTXUKIOJISCW-UHFFFAOYSA-N 290.407 3.516 30 20 CHED C[C@@H]1CSCC1=NOc1ccccc1C(F)(F)F 794923076 MCOUGFOJQQRHJN-MRVPVSSYSA-N 275.295 3.823 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)C[C@H]2C=CCC2)s1 797571381 OFCOTHWUALOOOA-NWDGAFQWSA-N 288.416 3.973 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cc(N2CCOCC2)ccc1C 797587310 IDCPWTVFFPVDET-HOCLYGCPSA-N 288.435 3.844 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C(C)C)nc2C)c(O)c1 798370836 YZHUSXJKLOCXGL-VURMDHGXSA-N 284.359 3.683 30 20 CHED COc1cc(CNC(C)(C)c2ccc(F)cc2)ccc1C#N 799337631 JSDGKWYSESHCIC-UHFFFAOYSA-N 298.361 3.731 30 20 CHED Cc1ccc(C(=O)Nc2cccc3ccn(C)c23)cc1C#N 799373441 JWBBXBCCUUODOW-UHFFFAOYSA-N 289.338 3.611 30 20 CHED COc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(Br)c1 799723447 JGPKKUHXYHUGAY-VHSXEESVSA-N 295.180 3.562 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)CCCC 799922547 KILQJJFKYOUMOX-AWEZNQCLSA-N 275.367 3.614 30 20 CHED C[C@H](C#N)OCCN1CCC[C@@H]1CCC1CCCCC1 801928898 ANSSHMCVHYHUHD-NVXWUHKLSA-N 278.440 3.740 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 803786703 MDEBQCWKWJXUCG-UKRRQHHQSA-N 277.751 3.810 30 20 CHED Clc1ccc2c(c1)C(=NN[C@H]1CCSC1)CCS2 807999507 OWFBNPZEPYYYAO-JTQLQIEISA-N 298.864 3.635 30 20 CHED Cc1ccc(C=NNCC2CCCC2)c(-c2cnn(C)c2)c1 808006948 ISWGRMPIJLVTRK-UHFFFAOYSA-N 296.418 3.509 30 20 CHED N#Cc1nc(F)ccc1OCc1ccc(Cl)cc1Cl 808047269 VIWBXCXIMARLJM-UHFFFAOYSA-N 297.116 3.978 30 20 CHED C#Cc1ccccc1CC(=O)O[C@@H](C)c1ccccc1F 810659970 BWQPHSUFJPFIRF-ZDUSSCGKSA-N 282.314 3.654 30 20 CHED C#Cc1ccccc1CC(=O)OCc1ccc2occc2c1 810874899 YSMLPIVKGXOTDH-UHFFFAOYSA-N 290.318 3.700 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC[C@@H]1CCF 811667918 GROHWTDYKJUTBP-ZIAGYGMSSA-N 278.371 3.559 30 20 CHED C#CCON=C(CC)CSc1ccc(Cl)cc1 812236457 PGYWBAHSTNQQAX-UHFFFAOYSA-N 267.781 3.848 30 20 CHED C#Cc1ccccc1CC(=O)N(C)c1ccc(C)c(Cl)c1 812996065 VQQYIVPXWPDCSK-UHFFFAOYSA-N 297.785 3.835 30 20 CHED C(=NOCCC1CC1)c1ccccc1OCc1ccccn1 814246981 LGCKDKYKYPDCLR-UHFFFAOYSA-N 296.370 3.811 30 20 CHED Fc1cc(F)c(NN=Cc2ncc(Cl)s2)cc1F 814851198 ISFGVDPESXZWNI-UHFFFAOYSA-N 291.685 3.660 30 20 CHED CCOc1ccc(NN=C2CCc3c(OC)cccc32)cc1 814984974 NKWRXHAROQZXJK-UHFFFAOYSA-N 296.370 3.856 30 20 CHED CCCCCCCCC(=O)NC/C=C/c1cccnc1 816738937 RAPWZDJRVDAINB-PKNBQFBNSA-N 274.408 3.962 30 20 CHED Cc1cc(F)c(C=NNc2nccnc2C(C)C)c(F)c1 819809898 RCTKPCOUEQRNAS-UHFFFAOYSA-N 290.317 3.633 30 20 CHED C[C@H](NN=C1CCC[C@H]1CCCF)c1ccncc1 819817658 DALSOFVJJHCDIL-JSGCOSHPSA-N 263.360 3.638 30 20 CHED CC(C)C#CC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 821092326 MCILZDRQCNRANA-GFCCVEGCSA-N 297.320 3.884 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1OC(C)(C)C)C(C)C 821559489 JJWWQZNUVMCYIO-ZDUSSCGKSA-N 288.391 3.643 30 20 CHED C=CC(C)(C)CNCc1ccnc(Cl)c1Cl 824790256 PSOVOWLOXQRDIN-UHFFFAOYSA-N 259.180 3.690 30 20 CHED COc1cc(C#N)cc(OC(=O)O[C@@H](C)CC(C)C)c1 831259740 NEXJZCHCHSFIIO-NSHDSACASA-N 277.320 3.517 30 20 CHED CC(C)C#CC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 831812208 OFMKOKFZXLYCNQ-OAHLLOKOSA-N 287.378 3.581 30 20 CHED CC[C@H](C)[C@H](C=NNc1ccc(C(F)(F)F)cn1)OC 834921649 XEGAQFATMDGFHR-ONGXEEELSA-N 289.301 3.559 30 20 CHED COC(=O)c1cccc(NN=C2CCC23CCCC3)c1F 835018567 BTBVMCHAJCMGPT-UHFFFAOYSA-N 290.338 3.734 30 20 CHED C[C@@H](CC#N)OC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 835158284 CERGQJPYRRYLIG-NUEKZKHPSA-N 271.360 3.806 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1nccn1-c1ccccc1 835418970 ZMHSEIVBUAVROW-CYBMUJFWSA-N 284.359 3.689 30 20 CHED CC(C)(C)C#CC(=O)NCc1ccc(C2CCC2)cc1 837575958 PCXPTVKGVQQGIQ-UHFFFAOYSA-N 269.388 3.620 30 20 CHED C=CCC1(C(=O)OC[C@]2(C)CC2(Cl)Cl)CCC1 837666870 WOOSEXUMSVPYGD-NSHDSACASA-N 277.191 3.860 30 20 CHED CSc1ccsc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839053138 RXFSEEIAKIIQNP-NXEZZACHSA-N 281.402 3.709 30 20 CHED C[C@@H](C/N=C\c1cc2ccccc2nc1O)CC(F)(F)F 840714150 XPOJFCGNFFKCFZ-DWOMLUCJSA-N 296.292 3.948 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)C2CCCCC2)cn1 840715901 SNXXMHJQQKVZQA-MDZDMXLPSA-N 272.392 3.937 30 20 CHED Cc1cc(/C=C2/CCc3ccc(Cl)cc3C2=O)n(C)n1 841485671 OKAHCMMNTVBXRX-WQLSENKSSA-N 286.762 3.594 30 20 CHED CCC(=NNc1cccc(Br)n1)[C@H]1C[C@@H]1C 841643087 HPSVGBSDSZUDEC-IUCAKERBSA-N 282.185 3.678 30 20 CHED N#C[C@H](C(=O)/C=C/C1CCCC1)c1cnc2ccccc2n1 842776796 ZWZXEZAZKQYRTO-HBWSCVEGSA-N 291.354 3.552 30 20 CHED N#C[C@H](C(=O)[C@H]1Cc2ccccc21)c1nc(C2CC2)cs1 842942134 WFZBLCUXUKVWOC-UONOGXRCSA-N 294.379 3.537 30 20 CHED C/C(=C\c1ccco1)C(=O)N[C@](C)(C#N)C1CCCCC1 846929639 XOMOSFOEKCBXIR-MLFXKNMZSA-N 286.375 3.662 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2nc(CCC)cs2)c1 847162984 GOXMESOZEBFXJH-UHFFFAOYSA-N 299.399 3.745 30 20 CHED C=C(C)CNC(=N)NCC1(c2ccccc2)CCCCC1 849069446 KUTJXVRMWVHTME-UHFFFAOYSA-N 285.435 3.579 30 20 CHED C=C(Cl)CNc1ccc(NC(C)=O)cc1C(F)(F)F 849312987 MTJKJOMCAWUWQC-UHFFFAOYSA-N 292.688 3.828 30 20 CHED COc1cccc(C=NN2CCCC[C@H]2C)c1OC(F)F 853380004 SJKBVIALEPWXHJ-LLVKDONJSA-N 298.333 3.505 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1nccc2ccc(C)cc12 855094031 QEZQJCAERRVLMI-GOSISDBHSA-N 298.386 3.711 30 20 CHED CC[C@H](C)c1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 855254373 JGVMNYPPPCKOAD-LSDHHAIUSA-N 284.403 3.966 30 20 CHED Cc1cc(OC(=O)CC[C@H]2CC2(Cl)Cl)ccc1C#N 857613303 RRJRHQFORMUBQS-NSHDSACASA-N 298.169 3.746 30 20 CHED C=CCCCNC(=O)/C=C\c1ccc(SC)s1 861408739 XYEOCDYHSMERPK-VURMDHGXSA-N 267.419 3.566 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1ccc(C)c(F)c1 863454030 QMNFPBSVTGPEHD-UHFFFAOYSA-N 289.354 3.540 30 20 CHED CCC(C)(C)c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1 867178970 YSRXBWPKBWIVOW-LLVKDONJSA-N 285.347 3.769 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(C)c(SCC#N)s1 878265937 QRNFUMZHFHXKHT-UHFFFAOYSA-N 295.433 3.608 30 20 CHED C=CC(C)(C)CC(=O)NCCc1c[nH]c2cc(F)ccc12 878551077 KVURMDMLGULLTN-UHFFFAOYSA-N 288.366 3.568 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H](C)Cc1cccs1 878965025 SBPJEZZTIGVSJN-GFCCVEGCSA-N 265.422 3.645 30 20 CHED CC(C)(C)Oc1cccc(NC(=O)C2(C#N)CCCC2)c1 888560602 TUBSGQLLKOLGIE-UHFFFAOYSA-N 286.375 3.886 30 20 CHED Cc1cc(C#N)nc(N2CCC[C@@H]2c2cccs2)c1 891513165 CVVIPWVEXAVMRH-CYBMUJFWSA-N 269.373 3.665 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1cccc(F)c1F 899367044 UYLJCXVGOBJNBR-BQYQJAHWSA-N 288.297 3.782 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C\c2cncn2C)cc1 901542454 DYNJKXCRQDYFDV-ASCRHOAZSA-N 268.360 3.830 30 20 CHED C=CCC[C@@H](NCCC(C)(C)C(=O)O)c1ccccc1 902325081 JVCVDAJEQCAPSD-OAHLLOKOSA-N 275.392 3.784 30 20 CHED C=C[C@H](CC)Cc1nc(C(C)(C)c2ccc(C)cn2)no1 904109910 RRUHFUVRNPECMP-CYBMUJFWSA-N 285.391 3.854 30 20 CHED C[C@@H](n1nc(C(F)F)cc1C(F)F)C(F)(F)F 905020745 WBXOMYKECOGSGD-GSVOUGTGSA-N 264.144 3.882 30 20 CHED CC(=NNc1cnccn1)c1ccc2c3c(cccc13)CC2 912962447 PYVBTSVUVNQUDK-UHFFFAOYSA-N 288.354 3.565 30 20 CHED N#CC1(CSc2ncnc3sccc23)CCCC1 915771437 HOSFZDAUNGUDNN-UHFFFAOYSA-N 275.402 3.867 30 20 CHED CCCNN=Cc1cccc(OCc2ccccc2)c1 915965577 UMDPNKQPCFEZNP-UHFFFAOYSA-N 268.360 3.599 30 20 CHED CC(=NNc1ncccc1Cl)c1cccc(C)c1 917549372 NBYSOFLUXFSDIR-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CCCCCCCOC(=O)[C@H]1CCCN1C(=O)C(C)(C)C 918493559 AZCTWYGFGHZBMU-CQSZACIVSA-N 297.439 3.537 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1c[nH]nc1C(C)(C)C 920066117 RBUTUJXQGNSQEI-CLFYSBASSA-N 298.386 3.920 30 20 CHED CCOc1cccc(/C=N\CCc2ccccc2F)c1O 920944468 XYVOEXRJGNHSEB-UNOMPAQXSA-N 287.334 3.592 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)Cc2c(F)cccc21 921265852 DGMHIFJLLPYRLN-FLIBITNWSA-N 256.251 3.787 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C#N)C1 928222914 UBDALCCTKJHSOQ-JKSUJKDBSA-N 276.424 3.745 30 20 CHED C[C@@H](CCC#N)N1CCC(c2nc3c(s2)CCC3)CC1 932619692 RPMVEORHGQTGQK-LBPRGKRZSA-N 289.448 3.503 30 20 CHED CCCC[C@@H](C)N(C)C(=O)c1cc(C#N)ccc1C 936056957 OHYGXYFKJIKQCM-CYBMUJFWSA-N 258.365 3.517 30 20 CHED N#Cc1nc(N2CC[C@H]3CCCC[C@H]3C2)sc1Cl 1118578108 BGBVVJPGMWFYNI-ZJUUUORDSA-N 281.812 3.685 30 20 CHED C=C(C)CCC(=O)OCc1csc(C(F)(F)F)n1 1121201231 CMJYTDNOGUSEDL-UHFFFAOYSA-N 279.283 3.561 30 20 CHED C[C@H]1C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC[C@H]1C 1125891524 UNTLCZZBWCUKGI-ILXRZTDVSA-N 278.440 3.847 30 20 CHED Cc1c(CNC(=O)c2csc(C#N)c2)oc2ccccc12 1126110172 YXHMIIJWSWVAAI-UHFFFAOYSA-N 296.351 3.604 30 20 CHED Cc1ccc(C)c([C@@H](C)OC(=O)C2(C#N)CCCC2)c1 1127813125 UBOXPLVPGIMGKE-CQSZACIVSA-N 271.360 3.992 30 20 CHED C[C@@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)C[C@H](C)C1 1133912060 XNHYGHSFBPSYNY-BFYDXBDKSA-N 284.403 3.578 30 20 CHED CN(C)c1cc(NC(=O)c2ccc(C#N)cc2)ccc1Cl 1133923557 PVDNXMURDPAYCT-UHFFFAOYSA-N 299.761 3.530 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCC[C@@H]1C1CC1 1163501729 ZSCDXEWBCOTXBW-CHWSQXEVSA-N 258.340 3.936 30 20 CHED N#CCC1(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 1170062026 IWZVWGCXWBCCFY-KURKYZTESA-N 280.415 3.948 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C 1262733885 GIWPVFYXNHXXOA-RDJZCZTQSA-N 287.403 3.640 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cnc(-c3ccsc3)s2)C1 1308443744 QHZXHTDFTUATGX-CMPLNLGQSA-N 289.429 3.653 30 20 CHED CC(C)[C@H]1CN(Cc2ccc(C#N)cc2F)[C@H]1C(C)C 1308763499 RUQXAHOEPKYRMN-WBVHZDCISA-N 274.383 3.810 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC1(C)C 1310382014 FVGPLKOEKJRFQF-AWEZNQCLSA-N 285.391 3.815 30 20 CHED C#CCN(Cc1csc(C2CCCC2)n1)CC1CC1 1319458039 GYGVMAHLFSFIMN-UHFFFAOYSA-N 274.433 3.646 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1oc2ccccc2c1C 1320592975 VOAGGCHQYLXAHD-STQMWFEESA-N 259.349 3.593 30 20 CHED Cc1cc(CSCc2ncc(Cl)n2C)ccc1C#N 1320906696 ZYPZKMYIKATRFV-UHFFFAOYSA-N 291.807 3.687 30 20 CHED N#CCOc1ccc(N[C@H]2CCC[C@H]2CCCF)cc1 1321269324 TUUSJCDBTQQQPI-BBRMVZONSA-N 276.355 3.919 30 20 CHED CC(=NNCc1ccc(F)cc1)c1c(C)cc(C)cc1O 1321685096 KUDDHCMEJFWPHO-UHFFFAOYSA-N 286.350 3.662 30 20 CHED C=CCCOC(=O)CCOc1cc(Cl)ccc1Cl 1323099508 DSFLEABDRQBEKG-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N1CCC[C@](C)(C#N)C1 1323783737 RSEJUKSYYCKNKD-RHSMWYFYSA-N 276.424 3.745 30 20 CHED C=CCCCC[C@@H](C)Nc1ccccc1CC(=O)NC 1327938733 IGAYCCNZUWBGPH-CQSZACIVSA-N 274.408 3.522 30 20 CHED C[C@H](CCC#N)CN(C)Cc1cc2ccccc2[nH]1 1330593387 OLCORUVQRCTXLX-CYBMUJFWSA-N 255.365 3.540 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1c1ccccc1OC 1337113624 GWNOVKCWHRIDRX-OAHLLOKOSA-N 273.376 3.715 30 20 CHED CC[C@H](C)n1nccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 1338746618 KKEBFPFALGFYDB-QWHCGFSZSA-N 297.358 3.644 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)cc1 1341523998 MWVFPGTVVUVESB-KBAYOESNSA-N 298.430 3.990 30 20 CHED CC[C@H](C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1342636212 DKJQGURDDRRRQJ-KBPBESRZSA-N 282.318 3.591 30 20 CHED C=C(C)CCC(=O)OCc1ncc(C(C)C)s1 1342749855 GKKHFJYGIMKXCJ-UHFFFAOYSA-N 253.367 3.666 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)c1cncs1)c1cccs1 1343907401 XGBRCUOURUSEMG-CABZTGNLSA-N 292.385 3.652 30 20 CHED N#CCOc1cccc(CN[C@H]2CCC[C@H]2CCCF)c1 1344652226 XFNOMFZAILKHOP-RDJZCZTQSA-N 290.382 3.597 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc1C(F)(F)F 1344696470 AOLIJPAYSHDIJF-ZYHUDNBSSA-N 297.276 3.863 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)O[C@H](CC#N)c1ccco1 1344935336 DWVNLIMLGYNQKF-UKRRQHHQSA-N 293.363 3.619 30 20 CHED Cc1cccc([C@H](C)C(=O)O[C@H](CC#N)c2ccco2)c1 1345547383 KYPIJFYPTZKQBU-XJKSGUPXSA-N 283.327 3.890 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(C#N)cc2F)c1 1353008705 JPKSVNGLNKMGAF-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED C=C(C)CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 1353629705 BVOPDJQKSMWVCP-UHFFFAOYSA-N 274.147 3.994 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(C#N)ccc1C 1359854761 RDEGNNBXXZZDBO-NVXWUHKLSA-N 284.403 3.955 30 20 CHED CC[C@H](NC(=O)c1ccsc1C#N)C1CCCCC1 1434970186 XZSNBLXDMYODRA-ZDUSSCGKSA-N 276.405 3.708 30 20 CHED Cn1ccc(C(=O)CSc2ccc(Cl)cc2C#N)c1 1458968802 MQULROCWKATEHD-UHFFFAOYSA-N 290.775 3.525 30 20 CHED CC(C)CN(CCc1ccc(C#N)cc1)c1cccc(O)c1 1473196736 KYEIQVJJOQDOLQ-UHFFFAOYSA-N 294.398 3.969 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)[C@H](CC#N)c1ccccc1 1517972826 YKJHBYWNOMBYDA-HZPDHXFCSA-N 284.403 3.769 30 20 CHED CC(C)c1ccc(C(=O)[C@H](C#N)c2cccc(F)n2)cc1 1524695475 DFBDJVYAKWIYEY-CQSZACIVSA-N 282.318 3.834 30 20 CHED CSc1ccc(CSc2cc(C#N)nc(C)n2)cc1 1559181989 NKYGXSLJGVNUFK-UHFFFAOYSA-N 287.413 3.671 30 20 CHED CCCOc1ccc2c(c1)CCN(CC1(CC#N)CC1)C2 1559664538 JZTJVLOZOOJWJN-UHFFFAOYSA-N 284.403 3.527 30 20 CHED C=C(C)C[C@@H](C)C(=O)O[C@@H](C(=O)O)c1cccc(Cl)c1 1602747732 ZQDZCUDUWXURRG-ZWNOBZJWSA-N 296.750 3.611 30 20 CHED O=C(O)c1cc(N=Cc2cc(Cl)ccc2O)ccc1F 1608852651 BOCOLAQRIUGWEK-UHFFFAOYSA-N 293.681 3.634 30 20 CHED C=C(Br)CN(CC)c1ccc(F)c(F)c1 1644914626 AEHIZSJGAPTVIT-UHFFFAOYSA-N 276.124 3.700 30 20 CHED C[C@@H]1CCCC[C@@H]1Cn1c(C(F)(F)F)ccc(C#N)c1=O 1652171338 VBCXIEDRCJNOMK-ZYHUDNBSSA-N 298.308 3.565 30 20 CHED CC(C)[C@@H]1N(Cc2cccc(F)c2C#N)CC12CCC2 1652556394 OYTVKNVKEFHIER-INIZCTEOSA-N 272.367 3.708 30 20 CHED C=C(Br)CN1CCc2cc(CC)ccc2C1 1655919330 RMLXILXIOSWCJF-UHFFFAOYSA-N 280.209 3.516 30 20 CHED N#Cc1c(F)cccc1CNc1cnc2c(c1)CCCC2 1659434239 FCCXMYKVYQZTJN-UHFFFAOYSA-N 281.334 3.583 30 20 CHED N#CCc1cccc(NC(=O)NC2(c3ccccc3)CC2)c1 1670084322 CHWFGNUXAGSTIC-UHFFFAOYSA-N 291.354 3.563 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc2c(c1)CCCC2 1776030642 AYBLTLRSMDSUQM-UHFFFAOYSA-N 294.354 3.710 30 20 CHED Cc1cccc(C=NNc2cccc(C(=O)O)c2C)c1C 1776086606 DHIDWOLAOGVYJL-UHFFFAOYSA-N 282.343 3.756 30 20 CHED C=CCCCCN(C)[C@@H](C(=O)O)c1ccc(F)c(Cl)c1 1776173621 CYMOXMGSLAKVEF-CQSZACIVSA-N 299.773 3.893 30 20 CHED C=CCc1ccccc1CN[C@@H](CC(=O)O)CC(C)(C)C 1776188445 PYOHFRGTYHVWGN-INIZCTEOSA-N 289.419 3.784 30 20 CHED Cc1oc2ccccc2c1C(=O)/C=C/c1cc(C(=O)O)co1 1777559850 LNZWMYWCJROGGC-VOTSOKGWSA-N 296.278 3.929 30 20 CHED Cc1ccccc1/N=C1\NN=C(c2ccc(F)cc2)CS1 7849276 SRQYOUWLPKNFFC-UHFFFAOYSA-N 299.374 3.862 30 20 CHED CC(C)SCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 409446580 MUPSCWNMZGWLFF-DLBZAZTESA-N 288.460 3.900 30 20 CHED CC(C)(C)C1CCC(OC(=O)c2ccc(C#N)cn2)CC1 107427447 BNOFLRAOZWFOBN-UHFFFAOYSA-N 286.375 3.715 30 20 CHED C=CCOC(=O)C(c1ccccc1)c1ccccc1 58800665 CMJJJRYEUMKQJC-UHFFFAOYSA-N 252.313 3.548 30 20 CHED N#Cc1ccc(CNCCCn2ccc3ccccc32)cc1 52659587 QHFQGQNHOCJRMJ-UHFFFAOYSA-N 289.382 3.693 30 20 CHED O=C1/C(=C/c2ccccc2Cl)Oc2ccccc21 53243475 KUORHNWHYRSQCI-ZROIWOOFSA-N 256.688 3.956 30 20 CHED C[C@@H](CNCc1cccc(C#N)c1)c1ccc(F)cc1 105452142 XVZBCIKVFQIEFZ-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED C#CCCCN[C@@H](CC)c1ccc(OC(F)F)cc1 178060520 JIXDAYILUUVOOQ-AWEZNQCLSA-N 267.319 3.742 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](C)c1cc(C)ccc1C 116971019 GTKRBFROWZJTGD-LSDHHAIUSA-N 274.408 3.970 30 20 CHED Cc1cc(C)c(C#N)c(SCCCC(C)(C)C#N)n1 177159378 FRODSVHUDVMKCM-UHFFFAOYSA-N 273.405 3.992 30 20 CHED Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C)CC#N 113688443 AHMAAOMDSKJRIU-LBPRGKRZSA-N 288.372 3.615 30 20 CHED CCS[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C 66288767 NJUPRLGYQALJGT-IUODEOHRSA-N 290.432 3.513 30 20 CHED C=CCCCOc1c(Cl)cc(C#N)cc1OC 172642900 CUABBGIDWQPIRN-UHFFFAOYSA-N 251.713 3.565 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(F)c1)C2 303310463 QUBJYGRXQCYTPW-ZSOIEALJSA-N 252.288 3.957 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)s1 176981219 UMEYRMKYIUZANZ-CHWSQXEVSA-N 270.401 3.902 30 20 CHED C[C@@H](OC(=O)[C@@H]1CC=CCC1)c1ccc(C#N)cc1 175806292 HGFSISXUWPYHTJ-IUODEOHRSA-N 255.317 3.519 30 20 CHED C#CCCOc1ccc(CN[C@H](C)c2ccccc2)cc1 113312735 SGDNPOMDRFSPSR-MRXNPFEDSA-N 279.383 3.940 30 20 CHED N#Cc1cc(F)c(NCCC[C@@H]2CCCCO2)c(F)c1 302220417 MCNMNNKDDCEHOU-LBPRGKRZSA-N 280.318 3.598 30 20 CHED N#CCCCOC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 173535110 QRPVDCBIKCHWBL-STQMWFEESA-N 298.169 3.944 30 20 CHED CCOc1cccc([C@H](C)NCc2cccc(C#N)c2)c1 63319384 YVVMPYADCWSQIH-AWEZNQCLSA-N 280.371 3.808 30 20 CHED CC(C)Sc1ccc(C(=O)NCCCCC#N)cc1 171500931 MDDIWPCIBHYEBN-UHFFFAOYSA-N 276.405 3.611 30 20 CHED COc1cccc2cc(CNc3cccc(C#N)c3)oc12 37203154 KZSOVCJDHKMNPE-UHFFFAOYSA-N 278.311 3.925 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(F)cc1OCCC 125533638 FIVCEDYSFUFYMA-UHFFFAOYSA-N 292.354 3.820 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(c2cccc(C#N)n2)C2CC2)o1 301498859 CQEAQDXOHRXMKB-BLLLJJGKSA-N 293.370 3.839 30 20 CHED N#Cc1ccc(CCC(=O)Nc2ccsc2Cl)cc1 187843097 ZLUZJUHSIOMKFG-UHFFFAOYSA-N 290.775 3.844 30 20 CHED C=CCC[C@H](NCCc1sc(C)nc1C)C1CC1 121086022 IJYHWLKPAONSGC-AWEZNQCLSA-N 264.438 3.637 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)ccc1Cl 181800349 HKJNCMGCIDUVEM-UHFFFAOYSA-N 252.745 3.688 30 20 CHED CCCC(=O)Nc1cccc(C/N=C/c2ccccc2O)c1 127944175 OGEUXNVGSNKBEN-CPNJWEJPSA-N 296.370 3.750 30 20 CHED C=C(C)CN(C)Cc1csc(COc2ccccc2)n1 181333287 FKGMECXEZLKIKG-UHFFFAOYSA-N 288.416 3.730 30 20 CHED N#Cc1cc(CNc2ccc3c(c2)C(=O)CCC3)ccc1F 124744929 AHHKNFAXUUTBTA-UHFFFAOYSA-N 294.329 3.828 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1F 71802175 IKBHEWCUIRSVSR-KRXBUXKQSA-N 274.266 3.870 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCN[C@@H](C)C1 414682810 RZOLPNGUWHMNCU-QWHCGFSZSA-N 298.883 3.778 30 20 CHED Cc1cc([C@@H](C)Nc2cc(C#N)cc(Cl)n2)c(C)o1 122740348 MJZQMITYRMZINR-SECBINFHSA-N 275.739 3.990 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)NCC1(C#N)CCC1 419636887 FBJUXBSLHUSYHY-INIZCTEOSA-N 299.418 3.863 30 20 CHED C=CCCCNc1cc(Cl)ccc1NC(C)=O 77245662 YCFYOKTYGQWNOM-UHFFFAOYSA-N 252.745 3.677 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412141978 APRUCPSAOAATBH-UTJXIGIESA-N 284.403 3.603 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H](C)c1ccc(C#N)cc1 187984041 NRBFQUYNMSJDRJ-MLGOLLRUSA-N 257.333 3.765 30 20 CHED CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 76150768 KEXWPZIJSFGPSN-UHFFFAOYSA-N 294.354 3.794 30 20 CHED CCc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 418137768 CEVBBSDKAOSEED-LJQANCHMSA-N 291.398 3.683 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1=C(C)CCC1 413986650 MITMBQMKOKFQSO-MRXNPFEDSA-N 269.388 3.790 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 315523416 KDTGFYSORWIAIY-KTYAECBSSA-N 297.358 3.703 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)Cc1cccs1 180468316 CEYIXFRMTXPZFW-CHWSQXEVSA-N 280.437 3.723 30 20 CHED N#Cc1cccnc1NCc1csc2ccccc12 76806111 ILBCKDQVXQGNTI-UHFFFAOYSA-N 265.341 3.780 30 20 CHED N#Cc1ccc(OCCC2(C#N)CCCCC2)cc1F 418877671 JUGNDKBOIDJHGS-UHFFFAOYSA-N 272.323 3.940 30 20 CHED C=CCCC1(C(=O)N2CCc3c(F)ccc(F)c32)CC1 410983411 XTBWRCQUTBILGJ-UHFFFAOYSA-N 277.314 3.600 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C#N)C(C)C 183031192 GBLCFVSMRCQMFT-QGZVFWFLSA-N 294.354 3.762 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1ccccc1CC#N 410827232 KFWXOTURKCCLCX-JTQLQIEISA-N 284.281 3.670 30 20 CHED N#CCOc1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1 78561168 UDDJPVKIXKPXEI-RMKNXTFCSA-N 299.276 3.763 30 20 CHED COc1cc(C#N)ccc1CN[C@@H](C)[C@H](C)c1ccccc1 183340097 GBONVQQGSLRXBQ-GJZGRUSLSA-N 294.398 3.849 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccccc2F)cc1[N+](=O)[O-] 211802093 XWWUWJHPVOVHQN-HJWRWDBZSA-N 285.274 3.938 30 20 CHED Cc1cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)ccc1C(F)(F)F 410525049 JGKYREDUGRDAIZ-TVQRCGJNSA-N 282.265 3.502 30 20 CHED C[C@@H](C#N)CNCc1cccc(OCc2ccc(F)cc2)c1 183840337 RSLGPBHJYJAIRR-AWEZNQCLSA-N 298.361 3.654 30 20 CHED CC[C@@H](CNc1c(C#N)cccc1C#N)CC(F)(F)F 413517238 GZFKDNXOVMHDIF-SNVBAGLBSA-N 281.281 3.820 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ccsc1 182617194 MHWKPBUSCRZIFP-LBPRGKRZSA-N 251.395 3.542 30 20 CHED C=CCC[C@H](C)OC(=O)Cc1c[nH]c2cccc(OC)c12 181898305 YFCPYNXKPSUSMV-LBPRGKRZSA-N 287.359 3.617 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1 416782828 SRVRUQFCWYTBEY-BFHYXJOUSA-N 288.391 3.760 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccccc2OCC2CC2)C1 185837165 GRSSGHBXEKXXSD-RDJZCZTQSA-N 284.403 3.647 30 20 CHED N#CC1(CSCCc2ccc(Cl)cc2)CC1 419583687 AISHHDKINUVYFO-UHFFFAOYSA-N 251.782 3.919 30 20 CHED CCCCCCCC(=O)Nc1ccccc1C[S@@](C)=O 185967877 GFUQTWHJRNIHEV-HXUWFJFHSA-N 295.448 3.864 30 20 CHED CCCOc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1OC 411459897 ZUYWGNKOCJJDLV-KBPBESRZSA-N 290.407 3.827 30 20 CHED OC(=Nc1ncn(C2CCCCC2)n1)[C@@H]1CC12CCCC2 329552832 JZGRODKKFCBCGK-ZDUSSCGKSA-N 288.395 3.952 30 20 CHED C=CCCCC[C@@H](C)NCc1nccc(C(F)(F)F)n1 414256290 WCRQCKBIMMFQNE-LLVKDONJSA-N 287.329 3.720 30 20 CHED C[C@H](NC[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 192907076 TTXLIKHOZHWUPB-HNAYVOBHSA-N 293.414 3.512 30 20 CHED C=C(C)CCc1noc(CCCOc2ccccc2F)n1 508608364 JGGHGJMPGUQRCC-UHFFFAOYSA-N 290.338 3.729 30 20 CHED C=Cc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 192205354 JYGMSILTFDGHDW-CYBMUJFWSA-N 292.338 3.873 30 20 CHED N#CCCCOC(=O)[C@H](Oc1ccccc1)c1ccccc1 194061549 VFISEJQMKXPRAW-QGZVFWFLSA-N 295.338 3.654 30 20 CHED C=CCN(Cc1cc(Br)ccc1F)C(C)C 519908278 PZVSLLQHRVTZJJ-UHFFFAOYSA-N 286.188 3.985 30 20 CHED CN(C/C=C/c1ccccc1)Cc1cc(C#N)ccc1F 132552156 BSNHTFUQAXUAFU-VMPITWQZSA-N 280.346 3.843 30 20 CHED COc1ccc(CC[C@@H](C)Nc2cccc(C#N)c2)cc1O 426026643 BKZTXCZFBLUECV-CYBMUJFWSA-N 296.370 3.706 30 20 CHED CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 424325462 KXMQNCMRHHUYLU-BJJXKVORSA-N 287.363 3.718 30 20 CHED N#Cc1ccc(CN[C@H](Cc2ccccc2)C(F)F)s1 421866498 BAWFUUQHBKWYKY-CQSZACIVSA-N 292.354 3.586 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C(C)(C)C)C1 424815336 WEYQTFZYHMBJIY-CYBMUJFWSA-N 251.414 3.873 30 20 CHED N#Cc1ccc(OCCc2ccc3c(c2)CCO3)cc1Cl 220995763 JXBLQEKYJNXNQY-UHFFFAOYSA-N 299.757 3.768 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)Cc2ccc(C#N)o2)c1 131365856 HEDHQVHASDKVQS-AWEZNQCLSA-N 268.360 3.961 30 20 CHED Cc1cc(C(=O)Nc2ccccc2C#N)c(C(F)(F)F)o1 334685313 XLUFCDOGZONNST-UHFFFAOYSA-N 294.232 3.731 30 20 CHED C=CCCCC[C@@H](C)NC[C@@]1(C)C[C@H]2CC[C@H]1O2 424297644 RHOATJQGNOAWQV-KLHDSHLOSA-N 251.414 3.669 30 20 CHED CCN(C[C@H](C)C#N)C[C@@H](OC)c1ccc(Cl)cc1 338235001 JPNHBZULBFSFAA-IUODEOHRSA-N 280.799 3.509 30 20 CHED C=CCCC(=O)Nc1cccc(COCc2ccco2)c1 338661168 OAZKCUFMKSCZCQ-UHFFFAOYSA-N 285.343 3.901 30 20 CHED CCOC(C)(C)C/N=C(/O)c1ccoc1C(C)C 331127173 OZPRYBPLDGPQCM-UHFFFAOYSA-N 253.342 3.523 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H](C(=N)O)c1ccc(C#N)cc1 331358634 VLEWTHWOFZVEAZ-OJDYBEQGSA-N 285.391 3.549 30 20 CHED CCN(Cc1cccc(-c2cccnc2)c1)C[C@H](C)C#N 91983046 UMZJQSPKBFIGMO-OAHLLOKOSA-N 279.387 3.730 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CCC[C@@H](F)C2)c(Cl)c1 335085822 OAHZRDIFVJGBIP-NWDGAFQWSA-N 294.757 3.873 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 510584131 ZIWKDKJIKFXCAK-HUUCEWRRSA-N 266.429 3.809 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1nc(Cl)c(C#N)s1 233821055 LWCZBISNGKNPKC-YUMQZZPRSA-N 287.841 3.754 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 331776223 LHIUSXQCBLBUFN-UMPJEAMMSA-N 297.402 3.616 30 20 CHED C[C@H](CC#N)N(C)Cc1ncc(-c2cccc(Cl)c2)o1 161815271 KSHBGKGNFPBEHC-LLVKDONJSA-N 289.766 3.729 30 20 CHED Cc1ccc(C(C)(C)CNCc2ccc(C#N)cc2)cc1 237638502 MJONIYXKBRXNNZ-UHFFFAOYSA-N 278.399 3.934 30 20 CHED Cc1c(C(=O)N(C)C2CCC2)sc2ccc(C#N)cc12 336555949 OTWLSSKDVJVEKA-UHFFFAOYSA-N 284.384 3.706 30 20 CHED C=CCCc1csc(-c2cccc(NC(C)=O)c2)n1 90065551 ATTJEAOJEYPAMJ-UHFFFAOYSA-N 272.373 3.887 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@@H](C#N)C1CCCCC1 330525458 JTALYXDPBBRUMA-WFASDCNBSA-N 264.413 3.647 30 20 CHED N#Cc1ccnc(NC2CC(c3ccccc3Cl)C2)c1 338827748 FARYVKVAYPETBY-UHFFFAOYSA-N 283.762 3.965 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2cccc(CC#N)c2)C1 334982653 RHSLNCWMVSUFSH-QGZVFWFLSA-N 285.391 3.797 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 330569660 HZIJDBXSJKWYAL-UXIGCNINSA-N 290.794 3.847 30 20 CHED N#Cc1ccc(CS[C@@H]2CCCOC2)c(Cl)c1 438903307 VNWQDZZQBASMIT-GFCCVEGCSA-N 267.781 3.624 30 20 CHED Cc1cccc2c(C(=O)N3CCCC(C)(C)[C@H]3C#N)coc12 332020487 QVFVRPULDCUXND-OAHLLOKOSA-N 296.370 3.896 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)[C@@H](c1ccccc1)N(C)C 439126443 ATHVFMFRYNGISV-ACJLOTCBSA-N 297.377 3.801 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C(C)(C)C(C)C 439115384 VCLSHLAEQHRNAH-UHFFFAOYSA-N 273.420 3.926 30 20 CHED C=CCCCCNC(=O)N[C@H]1C[C@H](c2ccccc2)C1 437769225 DLLFXEGYQKUHTR-WKILWMFISA-N 272.392 3.588 30 20 CHED COc1ccc(/C(O)=N/CC2CCC(F)(F)CC2)c(O)c1 331225953 CMAXSGQFUIMIHX-UHFFFAOYSA-N 299.317 3.531 30 20 CHED COc1ccc(-c2nc3ccc(Cl)cc3n2C)cc1C#N 432505827 QBXIDEKIUOKIEH-UHFFFAOYSA-N 297.745 3.774 30 20 CHED N#CCN(C(=O)c1cc(F)cc(Cl)c1)c1ccccc1 336458171 MIMHMBKBCVSMKE-UHFFFAOYSA-N 288.709 3.649 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(C2CCC2)cs1 436169856 CBTIJTLVMZPGIY-CQSZACIVSA-N 264.394 3.951 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC)c1ccccc1OC(F)F 341879446 UVWIGYMFVNHNFV-JSGCOSHPSA-N 299.361 3.513 30 20 CHED Cc1ccc2c(C3=CCN(CC4(C#N)CC4)CC3)c[nH]c2c1 347454072 CTWICVJXAVBBQR-UHFFFAOYSA-N 291.398 3.869 30 20 CHED Cc1nsc(Oc2cnc3ccccc3c2)c1C#N 340892610 FVHYPSCWRHTBAY-UHFFFAOYSA-N 267.313 3.664 30 20 CHED C[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 248380971 RSIYFPSMWWFFJY-CSFVBSKPSA-N 282.387 3.562 30 20 CHED C=CCCCS[C@H](C)C(=O)NC1CCC(C)CC1 344514526 OFFTYJWAKUYRPW-ROKHWSDSSA-N 269.454 3.769 30 20 CHED N#Cc1cccc(CNC[C@@H]2SCCc3ccccc32)c1 344761666 PVDHSQXRNVOZPR-SFHVURJKSA-N 294.423 3.678 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)c1ccco1 607475308 TUAAGRKBZCHTHN-AWEZNQCLSA-N 299.370 3.607 30 20 CHED C[C@@H](CCC#N)CNCC(C)(C)c1ccccc1F 602531686 WTHVGIHHFWOQPD-ZDUSSCGKSA-N 262.372 3.633 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ncc(Cl)s1 607952837 HDOHOAFWHZMKJP-UHFFFAOYSA-N 294.763 3.614 30 20 CHED Cc1cc(Cl)ccc1-c1noc(C2(C#N)CCC2)n1 601392706 PKSXJQDLIWZIKN-UHFFFAOYSA-N 273.723 3.644 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)/C=C\c1ccccc1C#N 255296238 WTXLCABETHLNCL-MQNTZWLQSA-N 282.387 3.609 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)c1ccc(C#N)cc1 525113968 GFVAFQBXDGNRTL-STQMWFEESA-N 296.345 3.678 30 20 CHED N#CCCCNC(=O)NCC1CCC(c2ccccc2)CC1 344008100 IMEABLJMVPQXLL-UHFFFAOYSA-N 299.418 3.563 30 20 CHED COc1ccc(Cl)cc1NC[C@H](C)CCC#N 602489734 OAJHJPMABBXNJI-SNVBAGLBSA-N 252.745 3.700 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1F 448898423 VQOQTXUINMQHGY-IOASZLSFSA-N 288.366 3.723 30 20 CHED O=C1/C(=C\c2cccnc2Cl)CCc2c(O)cccc21 255778886 YCQHXNHMOQDADF-KTKRTIGZSA-N 285.730 3.653 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1c(C)oc2ccccc12 255619752 BYUKHRXTPJHMIQ-HJWRWDBZSA-N 280.327 3.679 30 20 CHED C=CCOc1ccc(CN(C[C@@H](O)CC)C(C)(C)C)cc1 440792799 AWNXRTGFNLWRRV-INIZCTEOSA-N 291.435 3.623 30 20 CHED CCOc1cc(C=NNc2ccc(Cl)cc2)ccc1O 606346809 AKMIHQSFEOLNAQ-UHFFFAOYSA-N 290.750 3.890 30 20 CHED CCCN(Cc1cn2ccccc2c1C#N)CC(F)(F)F 609234562 VIPZAFQUCONHOT-UHFFFAOYSA-N 295.308 3.585 30 20 CHED N#C[C@@H](S[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 601083888 QHWHTUSUPBWZOH-IAGOWNOFSA-N 286.444 3.686 30 20 CHED CO[C@@](C)(CNC1CCC(C)(C#N)CC1)c1ccccc1 449482567 CEOHZNLZIKHMTE-ABHNRTSZSA-N 286.419 3.610 30 20 CHED Cc1nc(C)c([C@@H](C)N(C)C[C@@H](C)CCC#N)s1 602477396 VRLMEAIFHURMBY-CMPLNLGQSA-N 265.426 3.693 30 20 CHED C=C(CC)CNc1cc(C[S@](C)=O)ccc1Cl 358657949 BBCGQEYULQWMIQ-KRWDZBQOSA-N 271.813 3.597 30 20 CHED C[C@]1(CN[C@H]2CC[C@H](C#N)C2)CCCc2ccccc21 442826997 PDEVMNOQSLLGHA-QILLFSRXSA-N 268.404 3.562 30 20 CHED CCc1cc(C#N)ccc1OCc1cccc(NC(C)=O)c1 442122965 GJBYOHFRYRJRJZ-UHFFFAOYSA-N 294.354 3.658 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cccc(C)c1C)C1CC1 536799059 YKXMFQDLLCGZBQ-CQSZACIVSA-N 272.392 3.724 30 20 CHED Cc1nc(-c2ccc(NC(=O)C3(C#N)CCC3)cc2)oc1C 609856088 RVFQHKJPODDHES-UHFFFAOYSA-N 295.342 3.591 30 20 CHED CC1(C)CCCN(CCSc2ccccc2F)[C@@H]1C#N 444738044 YAEOJIGILAHVPU-OAHLLOKOSA-N 292.423 3.932 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3O[C@H](C)C2)CCC1 355909573 UVCNDVGXJBAKFL-CQSZACIVSA-N 285.387 3.543 30 20 CHED C[C@@H](CC#N)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 358770376 WTPNZSPMEWFMCE-ZETCQYMHSA-N 296.157 3.507 30 20 CHED C[C@H](c1ccccc1)n1ccc(=NCC(C)(C)CCC#N)[nH]1 610787110 YZHCZYLLUWMMDB-OAHLLOKOSA-N 296.418 3.656 30 20 CHED N#Cc1ccncc1NCCc1c[nH]c2cc(Cl)ccc12 611280963 FTGWMGORKGVRGJ-UHFFFAOYSA-N 296.761 3.743 30 20 CHED Cc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(C)n1 618807323 XUQHNPNKULTMRP-KUHUBIRLSA-N 291.398 3.908 30 20 CHED CC(C)(C#N)CNCc1ccc(Oc2ccccc2)o1 612584861 FCZFJDMPJXMVNL-UHFFFAOYSA-N 270.332 3.711 30 20 CHED C=CCC[C@H](CC)Nc1cccc(CCC(=O)O)c1 263527748 UUNYCZMPMMMALZ-AWEZNQCLSA-N 261.365 3.861 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCO[C@@H](C3CC3)C2)n1 613430513 RHRZCMLHYSYFNE-HUUCEWRRSA-N 299.418 3.620 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](OCC)c1ccccc1 446848630 SWWTXROVPYUJIS-UXLLHSPISA-N 261.409 3.955 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(F)ccc2Cl)C1 617779231 XLOFDUVCAQFYOY-LLVKDONJSA-N 281.758 3.907 30 20 CHED Cc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 618741337 FANZWFXBEWNELG-SFHVURJKSA-N 262.356 3.644 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CN(CCC#N)Cc1ccco1 443417317 WLXBXZZUNYBCKA-WBVHZDCISA-N 272.392 3.988 30 20 CHED CC1(C)C[C@@H](NCc2ccc(C#N)c(Cl)c2)C(C)(C)O1 619754740 JOXBGXCCKRHGNU-CQSZACIVSA-N 292.810 3.647 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC[C@@H]2c2ccccc2)o1 449402425 REPPLXJWHBTFJM-CRAIPNDOSA-N 280.371 3.825 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(C)cc1F 537163922 KSPQIXUBRGPKMC-UHFFFAOYSA-N 279.355 3.836 30 20 CHED C[C@@H](CC#N)N(C)CCc1ccc2ccccc2c1 268274311 DCQANLQLRQVJTH-AWEZNQCLSA-N 252.361 3.616 30 20 CHED C[C@H]1CCCC[C@@H]1CCNCc1ccc(C#N)s1 537300307 XGVVBERZNQDCIQ-QWHCGFSZSA-N 262.422 3.926 30 20 CHED CC(C)c1cccc(CNC(=O)N(C)CC(C)(C)C#N)c1 458656893 NFZSXQBTFMHTLM-UHFFFAOYSA-N 287.407 3.501 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](CC(C)C)c1ccccc1 538828557 MOYKXAYVKWVZRF-HOTGVXAUSA-N 272.392 3.625 30 20 CHED CCC1(CC)CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 610666144 HSUSYYMNYSYJGR-CQSZACIVSA-N 299.418 3.841 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 615450826 HSLLTHSDHIPVBR-HNNXBMFYSA-N 295.766 3.667 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(C2CCC(C)(C)CC2)no1 453174797 AOCRRZXOXXSDJJ-MEBBXXQBSA-N 259.353 3.555 30 20 CHED N#CCN(Cc1cc(Cl)ccc1OCC1CC1)C1CC1 361275418 WXYXDZFZUCZYEP-UHFFFAOYSA-N 290.794 3.617 30 20 CHED N#Cc1ccc(-c2nc(-c3cccs3)no2)cc1Cl 548299110 WVRPXOAJGIIHCI-UHFFFAOYSA-N 287.731 3.990 30 20 CHED CCc1ccc2c(c1)[C@H](OC(=O)CC(C)(C)C#N)CCO2 278778450 LOSQVTOYWICUJI-OAHLLOKOSA-N 287.359 3.556 30 20 CHED COc1ccc(OCCSCC2(C#N)CCC2)cc1 450821266 AACAKUBPKYPVGG-UHFFFAOYSA-N 277.389 3.501 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CC[C@H]2N(C)C 456284919 UNVMQZOIVDGZCL-GOSISDBHSA-N 298.430 3.942 30 20 CHED CC[C@@H](NCC(CC)(CC)CCO)c1ccc(C#N)cc1 278719725 MCSCXFSQHJGFGO-QGZVFWFLSA-N 288.435 3.788 30 20 CHED C=C(CC)CNC(=O)c1cc(F)c(Cl)cc1Cl 453029790 YHSQFZXFAMORIV-UHFFFAOYSA-N 276.138 3.829 30 20 CHED N#Cc1cccc(C2(NC[C@@H]3C[C@H]3c3ccccc3)CC2)c1 459452709 RXVNRPGDVFDCJZ-HKUYNNGSSA-N 288.394 3.941 30 20 CHED C=C(CC)CNC(=O)N1CC2(CCCC2)[C@H]1C(C)C 459110067 ZPWQTPCFNDKDGC-CQSZACIVSA-N 264.413 3.563 30 20 CHED N#CCC[C@@H](C#N)CN1CC2(CCC2)[C@H]1c1ccccc1 453030660 YKEMUEINTTVDAS-DOTOQJQBSA-N 279.387 3.657 30 20 CHED N#Cc1cccc(CNC(=O)c2cccc3ccsc23)c1 362242848 OVJZODMMYZNFAY-UHFFFAOYSA-N 292.363 3.703 30 20 CHED CC[C@H](NC[C@H](O)c1ccc(C)cc1)c1ccc(C#N)cc1 278269053 OWKHRHYOWYHUEZ-OALUTQOASA-N 294.398 3.641 30 20 CHED C=CCC1(C(=O)NCC[C@H](C)N2CCCCC2)CCCC1 450560880 IAYSDINOSNRFAO-INIZCTEOSA-N 292.467 3.504 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCC(C)(C)CC#N 459264357 YYZQUWFSFCTTJB-GOEBONIOSA-N 299.418 3.514 30 20 CHED CCC1(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1 271013814 QKFMMFJNJVWCQR-NSHDSACASA-N 297.185 3.864 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(OCCC)cc1C 276916236 OAKKPNPBUDKBAX-UHFFFAOYSA-N 290.407 3.501 30 20 CHED C[C@H](N[C@H]1C[C@H]1Cc1ccccc1)c1ccc(C#N)c(F)c1 540711058 UEXUBWXSYAKXOJ-IRWQIABSSA-N 294.373 3.979 30 20 CHED C=C(C)CCN(C)CCC1CCN(c2ccncc2)CC1 274855489 SADBFYOFPJGKMW-UHFFFAOYSA-N 287.451 3.586 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N[C@@](C)(C#N)C(C)(C)C 547332281 RIMYHGCGWPSEHO-QAPCUYQASA-N 286.419 3.700 30 20 CHED C=CC[C@H](CC)NCc1cc(C(=O)OC)ccc1Cl 467523482 QWLWNTONHCIUFR-ZDUSSCGKSA-N 281.783 3.571 30 20 CHED CC[C@H]1CCCN(c2ncc(Cl)c(C)c2C#N)C1 544069386 OORKQMWXXKSYNA-NSHDSACASA-N 263.772 3.542 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCCC1CCC(OC)CC1 543623794 CIRQBHVHQLNQNF-WXLSXGNJSA-N 253.430 3.772 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cccnc2N2CCCC2)no1 288837846 CFXWFFSPKUFIIW-QGZVFWFLSA-N 298.390 3.586 30 20 CHED CC(C)(C#N)c1ccccc1CNC1(C2CC2)CCOCC1 375700535 GNKVOIQFUMZILB-UHFFFAOYSA-N 298.430 3.537 30 20 CHED C=CCC[C@H](CC)N[C@H](COC)c1ccc(CC)o1 462114144 ZNDACFLNJDCPDC-DZGCQCFKSA-N 265.397 3.864 30 20 CHED CCC[C@H](C#N)NC(=O)c1sc2ccc(C#N)cc2c1C 559375725 CTLQTMGZGRKCLA-GFCCVEGCSA-N 297.383 3.503 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 467897980 IBVRLPGECCUTFC-SJKOYZFVSA-N 293.357 3.883 30 20 CHED C[C@](C#N)(NC(=O)c1ccc(Cl)o1)C1CCCCC1 550748902 YHWGMRUQXRIORF-CQSZACIVSA-N 280.755 3.525 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C)cc1OCC 466325041 KNYGQEXCGYYBQH-CYBMUJFWSA-N 276.380 3.870 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N[C@](C)(C#N)C(C)C 554138994 ZASAVWYKYVEMLC-GOEBONIOSA-N 290.432 3.612 30 20 CHED Cc1ccc(NC(=O)CSCCC(C)(C)C#N)cc1 289428502 QUTXMYMLWYXLLH-UHFFFAOYSA-N 276.405 3.607 30 20 CHED C=C(CNCc1cc(F)ccc1OC)c1ccccc1 462791056 QGQCAQKOVUKXQG-UHFFFAOYSA-N 271.335 3.637 30 20 CHED CC(C)CCCCC(=O)N(CC#N)c1ccccc1 460067923 SFMROXBLQNTTBR-UHFFFAOYSA-N 258.365 3.760 30 20 CHED CCOc1ccccc1CCNc1ccc(F)cc1C#N 462823765 XCOIZJQMFBRHEJ-UHFFFAOYSA-N 284.334 3.751 30 20 CHED Cc1ncc([C@H](C)NCC#Cc2cccc(Cl)c2)s1 639994772 FAYWLIUTUXUFAO-NSHDSACASA-N 290.819 3.807 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2coc3ccccc23)C1 552200284 KVCFSPNLSCVGEB-ACJLOTCBSA-N 296.370 3.564 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCc2c(cccc2C(C)C)C1 474545248 RMEBNYPNLXGZJS-CQSZACIVSA-N 286.419 3.842 30 20 CHED C[C@@H](CC(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 298993799 RPYKIDVOZLACBH-ZDUSSCGKSA-N 288.366 3.662 30 20 CHED C=CCCCCS(=O)(=O)Cc1cc(C)sc1C 562740611 HQPQIEYMOBSHLK-UHFFFAOYSA-N 272.435 3.636 30 20 CHED C=CCCCCNC(=O)Nc1cc2c(cc1Cl)OCO2 473503003 LFJCCMQABVSWTH-UHFFFAOYSA-N 296.754 3.547 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)c(Cl)c1 565172485 OJZJKCPIZDILDA-OAHLLOKOSA-N 297.789 3.596 30 20 CHED C#Cc1cncc(C(=O)Nc2cccc(CSCC)c2)c1 806923332 HLWYMCISUPVBGP-UHFFFAOYSA-N 296.395 3.568 30 20 CHED C[C@H]1CCC[C@H](c2noc(-c3ccccc3OCC#N)n2)C1 809343721 HXKSLZKLFUCULL-STQMWFEESA-N 297.358 3.933 30 20 CHED COc1cc(OC(=O)c2sccc2Cl)ccc1C#N 808780109 RUFOLVYRVSZGKA-UHFFFAOYSA-N 293.731 3.501 30 20 CHED Cc1cccc(C=NNCC2CCCC2)c1OC(F)F 808006687 XOQDKIILCZFLPK-UHFFFAOYSA-N 282.334 3.710 30 20 CHED C#C[C@H](NC(=O)Cc1coc2c(C)c(C)ccc12)C(C)(C)C 807882025 HEOPSOQFCKZGNS-INIZCTEOSA-N 297.398 3.756 30 20 CHED C[C@H](NCC(C)(C)c1ccccn1)c1cccc(C#N)c1 296643048 CGLYNUSVPGEVPP-AWEZNQCLSA-N 279.387 3.582 30 20 CHED C=CCCC(=O)NC1(Cc2ccc(Cl)cc2)CCC1 561063896 PSOOKWPNNAEDRM-UHFFFAOYSA-N 277.795 3.888 30 20 CHED CC[C@H](C(=O)OCCCSCC#N)c1ccc(F)cc1 805532257 YZTYORDQYZBOMZ-AWEZNQCLSA-N 295.379 3.509 30 20 CHED C=C[C@H]1CCCCN1c1cccc(C(F)(F)F)n1 561326356 VCYLSMMTHIJOQY-JTQLQIEISA-N 256.271 3.645 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 293673277 QSDASBRTCMMWSI-JOCQHMNTSA-N 275.367 3.790 30 20 CHED Cc1cccc(NC(=S)NCC(C)(C)CCC#N)c1C 806596990 DBRWZUVOEZAHCH-UHFFFAOYSA-N 289.448 3.920 30 20 CHED C=C[C@H](CC(=O)N1CCC(CF)CC1)c1ccccc1 295722619 KUMIEUZCWYHZKQ-OAHLLOKOSA-N 275.367 3.554 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CCCC1(C)C 484320481 GPVQLVAURMDOQX-ZDUSSCGKSA-N 264.413 3.791 30 20 CHED CC(=NNc1cccc2ccccc12)C1CCN(C)CC1 814822718 ADWVNKXVWVPROQ-UHFFFAOYSA-N 281.403 3.969 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@H]1C1CCC1 567094720 XAPUGEGIQDKTNA-MSOLQXFVSA-N 296.414 3.550 30 20 CHED C=CCC(F)(F)C(=O)OCc1cccc(OC(F)F)c1 815310951 RKCAKINTVBINGK-UHFFFAOYSA-N 292.228 3.543 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 568354720 QJVHKRDZCYGUMY-CZUORRHYSA-N 288.366 3.899 30 20 CHED CC(CCC1CCCC1)=NNc1nc(-c2cccnc2)no1 814947941 QWGJQKGWCHTXEG-UHFFFAOYSA-N 299.378 3.890 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccc(C#N)c(C)n2)c1 488112701 QHEZISKFDZDSSQ-KRWDZBQOSA-N 277.371 3.912 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NOC/C=C/Cl 811669612 RBQJPYMQBJCHJB-VGNFQKFRSA-N 282.727 3.672 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)s2)C1 487319079 ILYHHUDICPYPMI-VXGBXAGGSA-N 276.405 3.564 30 20 CHED N#Cc1ccc2c(c1)C(=NNCc1ccccc1Cl)CC2 811638972 JVNFBDOXXBWZPF-UHFFFAOYSA-N 295.773 3.652 30 20 CHED N#Cc1c(F)cccc1/C=C1/CCc2sccc2C1=O 811689981 QJIKYYJLGKKKKW-FLIBITNWSA-N 283.327 3.971 30 20 CHED C[C@H](NN=C1CCCc2occc21)c1ccccc1 814815131 NVXUEWWHOBMRHW-LBPRGKRZSA-N 254.333 3.671 30 20 CHED CC(C)CCN(Cc1cc(C#N)n(C)c1)C1CCCC1 483160426 RHOPBCOBRAMPMR-UHFFFAOYSA-N 273.424 3.687 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@@H](C)C2)c1 726455802 GTDFTPQFJQTMRQ-TZMCWYRMSA-N 272.417 3.533 30 20 CHED CC(C)[C@H]1CC(=NNc2nccnc2C2CCC2)CS1 814932082 NOQBBIYMTCNTKG-CYBMUJFWSA-N 290.436 3.674 30 20 CHED C=CCCCCCCCNC(=O)/C=C\c1cccnc1 813256340 CLUBODNAKWCBKQ-QXMHVHEDSA-N 272.392 3.738 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NOC/C=C/Cl 811667872 FXRWYWGWTXCOAJ-VXXAXXLESA-N 266.703 3.718 30 20 CHED C=CCCC(=O)N(C)[C@@H](C)CSc1ccccc1 650226379 HCRSANCCCXITDJ-ZDUSSCGKSA-N 263.406 3.592 30 20 CHED C#C[C@H](CC)NC/C(C)=C\c1ccccc1OC(F)F 811505123 FKRWSDXXPHLNRM-GAJOTYCWSA-N 279.330 3.693 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1ccccc1C(C)C 489410701 ZGQBXPNRIOMAMW-HNNXBMFYSA-N 286.419 3.789 30 20 CHED C=CCC1(NCc2ncc(C(C)(C)C)s2)CCOCC1 657633417 OPSQIZIBRAFQQE-UHFFFAOYSA-N 294.464 3.656 30 20 CHED Cc1cc(/C=C2\COc3c(F)cccc3C2=O)ccc1F 729151196 SVONUDXLCOXBGX-XYOKQWHBSA-N 286.277 3.932 30 20 CHED C=CCCCCN1CCN(CCCCC=C)[C@H](C)C1 571154892 HCPZVMQVJQHUKL-QGZVFWFLSA-N 264.457 3.705 30 20 CHED CC[C@@H](c1ccc(F)cc1)[S@@](=O)CCC(C)(C)C#N 570103516 PLPGPEPQYBJVGN-LIRRHRJNSA-N 281.396 3.965 30 20 CHED COc1cc(CN[C@H](C)Cc2ccccc2C)ccc1C#N 576744812 CFFAJRMLJANOSO-OAHLLOKOSA-N 294.398 3.596 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2CC2(C)C)cc1 490674267 UGCMXCWXOOIWFM-CYBMUJFWSA-N 285.391 3.655 30 20 CHED C=CCCC(=O)OCc1csc(Cc2ccccc2)n1 726650580 RQLKQUNGJJYSJX-UHFFFAOYSA-N 287.384 3.743 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)CCC1 573449651 VSOLKXLDMQKEGC-OAHLLOKOSA-N 284.403 3.738 30 20 CHED CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C#CC(C)C)o1 829252123 ABWFOVHIGPHUIS-ZBFHGGJFSA-N 287.403 3.801 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 498285498 BFHNSUAVTQRSGE-LSDHHAIUSA-N 281.440 3.689 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)Nc1scc(C)c1C#N 582368166 ZHLVYIBJGCHKBH-BXKDBHETSA-N 277.393 3.581 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCCC[C@@H]21 665152189 QVYWABBVFYGVMO-KSZLIROESA-N 298.430 3.758 30 20 CHED COc1cccc(NN=Cc2c[nH]c3ccccc23)c1 725853817 SJCORAUETLWGDV-UHFFFAOYSA-N 265.316 3.623 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1ccncc1 737854467 HWRMDSDQOXKWPZ-GXTWGEPZSA-N 286.400 3.680 30 20 CHED CCCCCC[C@H](CC)C(=O)Nc1ccc(C#N)cn1 735009673 HWGHUFVWCVIZKZ-AWEZNQCLSA-N 273.380 3.888 30 20 CHED C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1 903428223 NNPXAJROWOKJBR-FZKQIMNGSA-N 277.371 3.755 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc2oc(C)c(C)c2c1 491737983 HNDVDODWWBKGEE-JTQLQIEISA-N 270.332 3.535 30 20 CHED Cc1nc(-c2ccccc2)c(C(=O)O[C@H](C)CC#N)s1 733711036 RRQQJOIJWKKJLU-SNVBAGLBSA-N 286.356 3.578 30 20 CHED CCC[C@H](NCC1(C#N)CCC1)c1ccc(OC)cc1 903032493 UWWRAYWPXMXQIH-INIZCTEOSA-N 272.392 3.820 30 20 CHED CS[C@@H]1CCCC(=NNc2cc(Cl)nc(C)n2)C1 901196515 QGMCKNNRKRLEEP-SNVBAGLBSA-N 284.816 3.512 30 20 CHED COC(=O)Nc1ccccc1OCc1ccc(C#N)c(C)c1 496068078 PTLJDSSSNKOYPS-UHFFFAOYSA-N 296.326 3.624 30 20 CHED CC[C@H](N[C@@H](C)Cc1ccccn1)c1cccc(C#N)c1 903044998 PBUCAJVLEQEDRJ-KSSFIOAISA-N 279.387 3.625 30 20 CHED Cc1cc2ccccc2nc1NN=C1C[C@@H](C)O[C@@H]1C 834969387 ARUIODRGEKOHLN-VXGBXAGGSA-N 269.348 3.508 30 20 CHED C=CCCCOC(=O)c1cnn(Cc2ccccc2)c1CC 735529759 LLIOHPNYHVGKCT-UHFFFAOYSA-N 298.386 3.617 30 20 CHED C=CCON=C1CC[C@@H](c2ccccc2)C[C@@H]1OC 835015065 OUYYNXXJMJCPOL-ZBFHGGJFSA-N 259.349 3.528 30 20 CHED Cc1cc(C)c(NN=C2C(=O)Nc3cc(F)ccc32)c(C)c1 730551167 IBDVLTKICWMRCS-UHFFFAOYSA-N 297.333 3.519 30 20 CHED C=CCCN(C)C(=O)Nc1nc(C(C)C)c(C)s1 667366467 JKZNBLFUKUVOAI-UHFFFAOYSA-N 267.398 3.615 30 20 CHED CCOC(=O)C(C)(C)ON=C(C)C1CCC(F)(F)CC1 835006236 NYYNWMWMPUIVBN-UHFFFAOYSA-N 291.338 3.546 30 20 CHED C#CCCCC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 837177362 LFTSSPZDJICNAQ-GDBMZVCRSA-N 289.806 3.896 30 20 CHED C=CCCC[C@H](NCc1c(F)cc(C)cc1Cl)C(=O)O 900068149 AGUBLBYAQUGTJA-AWEZNQCLSA-N 299.773 3.687 30 20 CHED Clc1ccc(-c2ccc(C=NNc3cccnn3)o2)cc1 735975084 UAIDOSDERKCFLQ-UHFFFAOYSA-N 298.733 3.836 30 20 CHED CC(C)(C#N)CN[C@@H]1CC2(CCC2)Oc2ccccc21 903100200 JVPNZZZKQOINCL-CQSZACIVSA-N 270.376 3.572 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1Cc1ccc(OCC#N)cc1 738313867 LIEVXGGHAUGZIM-CRAIPNDOSA-N 286.419 3.990 30 20 CHED CCCOc1ccc(CNCCc2cccc(C#N)c2)cc1 580926546 OURYXIVPONDTCG-UHFFFAOYSA-N 294.398 3.679 30 20 CHED COc1ccc(C)cc1/C=C1/Cc2cc(F)ccc2C1=O 734307872 VJGPMYHPWBUNET-ZROIWOOFSA-N 282.314 3.965 30 20 CHED Clc1ccc(C=NNc2ncnc3sccc23)s1 839402163 DQKLFMVUDYNJSV-UHFFFAOYSA-N 294.792 3.852 30 20 CHED C=CCN(C(=O)[C@H](CC)Cc1ccccc1)C(C)C 732730690 XWWQFIPQNLGGCL-MRXNPFEDSA-N 259.393 3.678 30 20 CHED CCCCCCCC(=O)N1CCC(N2CCCCC2)CC1 918696406 XGWHWTHBIODXHS-UHFFFAOYSA-N 294.483 3.824 30 20 CHED CC(C)(C(=O)O[C@@H]1CCC[C@H](C#N)C1)C1CCCC1 839450245 RKQGWVPBIUIEPB-GXTWGEPZSA-N 263.381 3.828 30 20 CHED CC(C)(C)CCOC(=O)/C=C\c1ccccc1C#N 913286802 JVLGIRSFHMRRGH-HJWRWDBZSA-N 257.333 3.551 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C2(c3cccnc3)CCCC2)C1 839062578 MTWJOGKVNLSBSB-GDBMZVCRSA-N 298.386 3.519 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)[C@H](C#N)CC)C2)cc1 593704580 OOCVAFSJMBSSOR-DOTOQJQBSA-N 284.403 3.505 30 20 CHED C[C@@H](OC(=O)c1ccc2[nH]ccc2c1)c1ccc(C#N)cc1 748679396 DWNYNPQQOMYSOK-GFCCVEGCSA-N 290.322 3.958 30 20 CHED CCCn1c(C(=O)N(C2CC2)[C@H](C)C#N)cc2ccccc21 598137865 NRXOEIXDNOZDBQ-CYBMUJFWSA-N 295.386 3.568 30 20 CHED CCN(CC#CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 677818955 ZAXKGCUNVVWOPK-CYBMUJFWSA-N 299.336 3.738 30 20 CHED CCOCCC1(CNc2nc(C#N)ccc2C)CCCC1 596161653 YBQGZEWFIDHPAQ-UHFFFAOYSA-N 287.407 3.661 30 20 CHED CCCC(=O)Nc1ccc(O)c(C(C)=NOCC(C)C)c1 749631803 QWXYORFCNSQGIH-UHFFFAOYSA-N 292.379 3.527 30 20 CHED C=C(C)CONC(=O)Nc1cc(Cl)ccc1SC 844521140 SFBKRNKNDCCXMD-UHFFFAOYSA-N 286.784 3.691 30 20 CHED C=CCCOCC(=O)OCCSc1ccc(C)c(C)c1 744865942 MFBCRSUNMOQXPT-UHFFFAOYSA-N 294.416 3.531 30 20 CHED CCC[C@@H](N[C@@H](C#N)Cc1ccccc1)C(C)(C)C 591242789 KECTZTFVMBRLMU-HZPDHXFCSA-N 258.409 3.926 30 20 CHED C[C@H]1CC(=NNc2cnccn2)C[C@@H](c2ccccc2)C1 749857959 ITNUOPWXDYFQKL-HIFRSBDPSA-N 280.375 3.848 30 20 CHED C=C[C@H](C)N[C@H]1CCc2ccc(OC(F)(F)F)cc21 675934356 QTTRGILWBLKFIR-ZANVPECISA-N 271.282 3.737 30 20 CHED Cc1csc(Sc2nc(C#N)c(Cl)s2)n1 590570280 ULKFCEBHSOQLRN-UHFFFAOYSA-N 273.795 3.584 30 20 CHED C=C(C)COc1cccc(NCc2cccc3c2OCO3)c1 676322801 SGFYQFPORZFQDK-UHFFFAOYSA-N 297.354 3.982 30 20 CHED N#CC1(CCOc2nnc(-c3ccccc3)o2)CCCCC1 591125178 WLZKKYQNSGIJCY-UHFFFAOYSA-N 297.358 3.980 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)OCC)c1 590623676 FAECRICPHDHORK-UHFFFAOYSA-N 295.766 3.667 30 20 CHED Cc1nn(C)c(C)c1C=NN[C@H](C)c1ccc(C(C)C)cc1 917551292 IJKBIVLAFYXZBH-CYBMUJFWSA-N 298.434 3.845 30 20 CHED CC(CCCCC#N)=NNc1cccc(F)c1[N+](=O)[O-] 841635381 AATHMWMASCYONN-UHFFFAOYSA-N 278.287 3.606 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCCc2ccc(F)cc2)C1 847075866 DKYMQTBFHKNRJE-GDBMZVCRSA-N 289.350 3.774 30 20 CHED N#CCc1cccc(C(=O)N2CC[C@H](C3CCCCC3)C2)c1 598151445 ZNCVLVDLVAGNBP-SFHVURJKSA-N 296.414 3.795 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1ccc(C#N)cc1C 748935039 CLDKALNBFKGTHT-ZDUSSCGKSA-N 291.416 3.832 30 20 CHED CCCCCCCC(=O)OCc1nc2ccccc2[nH]1 917558500 UXFSATXRSSBLLJ-UHFFFAOYSA-N 274.364 3.967 30 20 CHED Cc1ccc(NN=Cc2ccc3ccccc3n2)cc1 741451430 OTKSNWKUOOOPGW-UHFFFAOYSA-N 261.328 3.989 30 20 CHED CC(C)CON=C1CCN(c2ccc(F)cc2F)CC1 749636506 NJYBEPHHBZDSAT-UHFFFAOYSA-N 282.334 3.594 30 20 CHED C=C(Cl)COC(=O)c1c[nH]cc1-c1ccc(F)cc1 745268861 XNAHDURMDTZVIT-UHFFFAOYSA-N 279.698 3.730 30 20 CHED CCCOc1ccc(C/N=C\c2ccccc2O)cc1OC 914835963 ZCHMAKVSVNLECK-UYRXBGFRSA-N 299.370 3.809 30 20 CHED CCC[C@@H](C(=O)N[C@H](C)CC#N)c1ccc(Cl)cc1 596994330 FHYCZTNZHTZCMD-BXUZGUMPSA-N 278.783 3.642 30 20 CHED Oc1cccc(/C=N\Cc2ccc(-c3ccccc3)o2)c1O 917557773 VFFZWMTYMITTGX-ODLFYWEKSA-N 293.322 3.977 30 20 CHED CCCC[C@H](C(=O)N[C@](C)(C#N)C(C)C)C(C)C 598651388 YGKSPJVUYUOKGW-DZGCQCFKSA-N 252.402 3.503 30 20 CHED CN(C(=O)C1CC(C)(C)CC(C)(C)C1)c1ccc(C#N)nc1 598844508 AFIFZKGVAFFVAW-UHFFFAOYSA-N 299.418 3.769 30 20 CHED C=CCNC(=O)[C@@H](C)SCC[C@H]1CCc2ccccc21 596415566 LRELMACPIMPWAP-UKRRQHHQSA-N 289.444 3.530 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C1CCCCC1 593934898 RKEOEOOBUVXANZ-CQSZACIVSA-N 284.403 3.528 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](c1ccccc1)C(C)(C)C 845638823 NEIFGCBBJZQRDA-GXTWGEPZSA-N 276.380 3.579 30 20 CHED CC1(C)C[C@@]1(C)NC(=O)Nc1ccc(C#N)cc1Cl 596801282 JCAPCQDOOUOCIT-CQSZACIVSA-N 277.755 3.522 30 20 CHED C[C@H](Cc1ccc2c(c1)CCCC2)N[C@@H]1CC[C@H](C#N)C1 595042981 DEATVJUAUPCXBJ-SIXWZSSISA-N 282.431 3.778 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 595788316 IXJUEDXOFNKTMB-LZQZEXGQSA-N 298.430 3.900 30 20 CHED CC(Cc1ccc(-c2ccccc2)cc1)=NN(C)[C@@H](C)CO 842545682 XPQHPCFEGWXLSQ-INIZCTEOSA-N 296.414 3.585 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593967776 YRGUGFXEIZWTIR-RKVPGOIHSA-N 298.430 3.679 30 20 CHED C=C[C@H](C)ON=C(C)c1ccc(F)cc1OC(F)F 844622455 ZRUKXMTYKWPSGG-QMMMGPOBSA-N 273.254 3.742 30 20 CHED CC(=NNc1ncccc1C)[C@@H]1C[C@H]2C=C[C@H]1CC2 842531185 HOXCVCRYCIEIQD-KKUMJFAQSA-N 255.365 3.780 30 20 CHED C#CCCCC(=O)Nc1ccc2nc(CC)sc2c1 843692546 SKFJAFWDQOTUCA-UHFFFAOYSA-N 272.373 3.601 30 20 CHED Cc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2cccnc2)cc1 926614344 JAOUCQRUQCWZNT-IPELMVKDSA-N 291.398 3.761 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@@H]1Cc1ccccc1 851805611 DIMBUTFYTARZHK-QZTJIDSGSA-N 262.356 3.568 30 20 CHED CCCC(CCC)C(=O)OCc1ccc(C#N)cc1F 753441795 VRJUVAPRMUMWEK-UHFFFAOYSA-N 277.339 3.957 30 20 CHED CSc1cccc(F)c1CN[C@H](C)CC(C)(C)C#N 926402111 SKFUJZNGWZABNL-LLVKDONJSA-N 280.412 3.966 30 20 CHED C=C[C@H](OC(=O)CC[C@H](C)SC)c1ccccc1 851451241 GGODPKRARACMAA-JSGCOSHPSA-N 264.390 3.989 30 20 CHED COc1cc(C=NOCC2CCC2)ccc1SC 853439663 KYCATGVVEWVOTJ-UHFFFAOYSA-N 265.378 3.568 30 20 CHED N#CCCN(CCCCC1(C#N)CCC1)Cc1ccccn1 929798674 LYQHKBSCGWKFBS-UHFFFAOYSA-N 296.418 3.661 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CCC[C@H](C)C1)c1ccccc1 757576313 CRUBAIXSWSCUAR-XIRDDKMYSA-N 269.388 3.694 30 20 CHED C#CCCCCNCc1ccc2c(c1)CCC(C)(C)O2 758495994 BBPOGEFOTVBPSK-UHFFFAOYSA-N 271.404 3.683 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@@H]1CCO[C@@H](CC)C1 851300484 URFQKCHYAJHJDI-KGLIPLIRSA-N 268.397 3.727 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc2ccccc2n1C 851212596 VLCVDCSTJWFHIQ-GFCCVEGCSA-N 284.359 3.663 30 20 CHED CC(C)(C)C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 750884048 UMGLWGJZXOJKRD-UHFFFAOYSA-N 284.277 3.646 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC2(CC1)CC2 681597506 YTCMXHMAXYAXDQ-UHFFFAOYSA-N 287.428 3.981 30 20 CHED C(=Nn1cnc2ccccc21)c1ccccc1C1CC1 751133807 GMVIZFVVYWJHBJ-UHFFFAOYSA-N 261.328 3.796 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cc2ccc(C)cc2o1 754934003 YNQNNQXNVRAIKW-UHFFFAOYSA-N 294.358 3.984 30 20 CHED CN(CC(C)(C)C#N)c1ccc(C(F)F)cc1[N+](=O)[O-] 853646359 UJZSDQWJQUWIIH-UHFFFAOYSA-N 283.278 3.518 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1CCCCCC1 851209833 KRRODYWOXQQMLP-GFCCVEGCSA-N 251.370 3.828 30 20 CHED COc1cccc(/C=N\[C@@H]2CCc3c(OC)cccc32)c1O 759641109 BJGWRWPZQVNQFZ-MXDDHBLUSA-N 297.354 3.516 30 20 CHED CSc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C(C)C)s1 858978442 GYRGCBDNISVBLY-DYLGSBMWSA-N 294.445 3.538 30 20 CHED CCCCCCCCCC=NNC1CCOCC1 755765051 BWWCZRPUNZPDKF-UHFFFAOYSA-N 254.418 3.882 30 20 CHED Fc1ccc(C=Nn2cnc3ccccc32)cc1Cl 755613095 SLIBJMUFHQFYHR-UHFFFAOYSA-N 273.698 3.711 30 20 CHED C[C@@H]1CCc2c(C(=O)O[C@H](C)C(C)(C)C#N)csc2C1 753627581 ZMKLWPMNNBJPHW-GHMZBOCLSA-N 291.416 3.968 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2cc(Cl)ccc2O)c1 757469003 XZRIPGLZZMTQJC-GQCTYLIASA-N 283.714 3.813 30 20 CHED C#C[C@@](C)(CC)NCc1nc(-c2ccccc2)oc1C 852096887 HNBFCJQLHPBJFH-KRWDZBQOSA-N 268.360 3.542 30 20 CHED COc1cc(/C=C/C(=O)c2cc(C)ccc2O)cc(OC)c1 757467340 DMQDQVZWNFPEHA-FNORWQNLSA-N 298.338 3.614 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 752874075 IEKUICFXJXCAPG-RMKNXTFCSA-N 285.274 3.938 30 20 CHED C#CCN(C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21)C1CC1 754313434 ZTYLDMOVBVCNKT-GJZGRUSLSA-N 281.399 3.600 30 20 CHED CCC(COC)=NNc1nc2ccc(Cl)cc2s1 853438696 KLCNTPUBAMJXLX-UHFFFAOYSA-N 283.784 3.774 30 20 CHED Clc1cccnc1NN=C[C@H]1CCOc2ccccc21 752163939 GDYPFXMOMJKKDD-LLVKDONJSA-N 287.750 3.699 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CC1(C#N)CCCCC1 857617389 DBIBVFXJFPTRQK-UHFFFAOYSA-N 296.370 3.890 30 20 CHED C=CCC[C@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)O 756379011 JWXYSFOBNZIYET-HNNXBMFYSA-N 287.359 3.559 30 20 CHED CN(Cn1ccc(-c2ccccc2)n1)c1ccccc1C#N 754758635 GURGHIRSEQPSGY-UHFFFAOYSA-N 288.354 3.516 30 20 CHED CSCCCON=C(c1ccccc1)C(F)(F)F 751957278 XOMHIIHNXDSQNA-UHFFFAOYSA-N 277.311 3.723 30 20 CHED C#CCCCC(=O)O[C@H](C)c1cccc(OC(C)C)c1 759298337 GYWHIXTZTCLPSH-CQSZACIVSA-N 274.360 3.882 30 20 CHED CC(C)CCN(CCC#N)Cc1c(O)cccc1Cl 769334926 HSBZEESQEQTNLQ-UHFFFAOYSA-N 280.799 3.807 30 20 CHED C#CCCCOc1ccc(NC(=O)C2CCCCC2)cc1 766742597 UOLMMMCNEAOATF-UHFFFAOYSA-N 285.387 3.998 30 20 CHED CCc1ccc(C(C)=NNc2ccc(F)c([N+](=O)[O-])c2)o1 769823633 ZANSEEYJXPJBIT-UHFFFAOYSA-N 291.282 3.725 30 20 CHED CC[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 769543854 JWNJHSDJVYMPJY-CYBMUJFWSA-N 284.359 3.900 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2ccc(Cl)cc2)c1 763171488 VWFVIPOQKURBNA-SREVYHEPSA-N 290.702 3.616 30 20 CHED Cc1cc(NN=C[C@H](C)c2cccc(Cl)c2)nc(C)n1 763356433 RDLVFZQIZKRNOJ-JTQLQIEISA-N 288.782 3.948 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2sccc2C#N)CC1(C)C 931836193 BZMXAQABEPBHRD-LLVKDONJSA-N 277.393 3.518 30 20 CHED C#CCCCC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 862962839 WYDZNOTWGIBYMD-IRXDYDNUSA-N 269.388 3.791 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(C#N)s2)c(F)c1 762444076 WCMQKXBZXHNCRV-HYXAFXHYSA-N 282.299 3.527 30 20 CHED C=CCOC(=O)C1(c2ccc(F)cc2F)CCCC1 760601837 KAMNDDQTDINVEF-UHFFFAOYSA-N 266.287 3.506 30 20 CHED CCc1ccccc1CCOC(=O)C1(C#N)CCCCC1 768631546 NLCPPRLRBFBJNE-UHFFFAOYSA-N 285.387 3.809 30 20 CHED C[C@@H](C#N)CNN=Cc1ccc(Oc2cccc(F)c2)cc1 766452427 HEEXJIKZXZNRHP-ZDUSSCGKSA-N 297.333 3.701 30 20 CHED Cc1cc(Cl)ccc1CON=Cc1ccc([N+](=O)[O-])o1 768927781 SXYUYEICTHPXJR-UHFFFAOYSA-N 294.694 3.700 30 20 CHED COc1cc(/C=C/C(=O)c2ccsc2)ccc1F 1116374390 ZDRCDYFEORSASB-HWKANZROSA-N 262.305 3.792 30 20 CHED Clc1ccccc1C=NNc1ncnc2ccsc12 764841400 PSLBAZJZCWJRKV-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C#CCCCCCCNCC(C)(C)c1cccnc1 877592842 UWMJGCKPOWOEFJ-UHFFFAOYSA-N 258.409 3.533 30 20 CHED Cc1ncsc1CCNc1ccc(C#N)c(Cl)c1 50284775 OIAUARHKHJIBEZ-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CCOc1ccc(C=Nc2ccc(O)c(C)c2)c(O)c1 769775455 XGSGHBIISVHKPW-UHFFFAOYSA-N 271.316 3.556 30 20 CHED C[C@H](CCC#N)CNCCc1c[nH]c2ccc(Cl)cc12 877067877 NMTDSHRQJWHPSL-GFCCVEGCSA-N 289.810 3.893 30 20 CHED N#Cc1cc(NCc2ccc(F)c(F)c2)ccc1F 51635099 VHSWEFAUGNCZRZ-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1F 776726917 QIAIODAOUJQHFP-ZZXKWVIFSA-N 287.240 3.872 30 20 CHED CC[C@@H](C)N(CC)CC[C@](C#N)(C(C)=O)c1ccccc1 878884893 OIBMWXBNAZQZIA-QAPCUYQASA-N 286.419 3.547 30 20 CHED C=C(CC)COC(=O)c1ccc(OC)c(-c2ccccn2)c1 773541162 QEELPGKSRIRMIM-UHFFFAOYSA-N 297.354 3.880 30 20 CHED Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c(C#N)c1C 875011270 KSRNBPQUSBWBRQ-GHMZBOCLSA-N 286.356 3.572 30 20 CHED CCCCCOC(=O)c1ccc(C#N)c(Cl)c1 778537796 AHZPXVSBTSQTTN-UHFFFAOYSA-N 251.713 3.559 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1 879375228 KGUBUEDFZGXBCK-WBMJQRKESA-N 293.382 3.620 30 20 CHED CCOc1ccc(CCC(=O)OCCC(C)(C)C#N)cc1 776379099 RNNNCKLGMBAIAK-UHFFFAOYSA-N 289.375 3.501 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 1129252354 VRPSRWPFDADGJW-QRTARXTBSA-N 294.398 3.664 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(O)c(F)c1 775395794 UQYXUBSZMAWFEN-QGZVFWFLSA-N 296.345 3.570 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ccccc1CC#N 776937478 KQFYUCWBCFAKCH-QAPCUYQASA-N 298.430 3.722 30 20 CHED O=C1/C(=C\c2nc3c(s2)CCCC3)Cc2c(O)cccc21 776265599 LRAIYUPCPYYKDZ-KTKRTIGZSA-N 297.379 3.550 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CCCC(F)(F)F)cc1 770715715 BSHRQXWOLRQODP-UHFFFAOYSA-N 298.308 3.974 30 20 CHED CCCC(CC)=NNc1nc(-c2ccccc2)no1 776180820 ROOCCHJOZTZLHO-UHFFFAOYSA-N 258.325 3.715 30 20 CHED CCCCCCCCCNC(=O)c1ccn(C(F)F)n1 775654178 UBMRYNQJNZEZLW-UHFFFAOYSA-N 287.354 3.759 30 20 CHED COc1ccc([C@H](OC)[C@@H](C)/N=C/c2ccccc2O)cc1 771522026 XBIMRSZMUGRNFO-NSJZQVEBSA-N 299.370 3.596 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCc2cc(C)ccc21 779864217 XAPWJKUTVPPGAR-KRWDZBQOSA-N 269.388 3.682 30 20 CHED CC[C@H](CC1CCCC1)C(=O)[C@H](C#N)c1nccn1CC 1123237251 ZNSYFBBCXGXGAF-CABCVRRESA-N 287.407 3.686 30 20 CHED COC[C@H](C)NN=Cc1cccc(-c2ccccc2C)c1 777893703 BBEXEFJOANTFPA-HNNXBMFYSA-N 282.387 3.620 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)C)c(Cl)c1C 783410296 ZWCCQPUEONBYHF-UHFFFAOYSA-N 292.810 3.969 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](CF)C3)c2c1 882841244 QDUCIRGJLWMEHG-ZDUSSCGKSA-N 283.350 3.519 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)C(C1CC1)C1CC1 780036429 DJEVVHJYZHKJGV-UHFFFAOYSA-N 289.762 3.691 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)OCCCC(C)(C)C#N 782697448 QBTJPLTVGVUZTM-UHFFFAOYSA-N 298.386 3.892 30 20 CHED C=C1CC(c2noc(-c3ccc(C(F)(F)F)nc3C)n2)C1 896884783 SCSZBHBAYIXPFY-UHFFFAOYSA-N 295.264 3.892 30 20 CHED N#Cc1nccc2c(Br)ccc(Cl)c12 82766701 GEPXWGFLCLUEDG-UHFFFAOYSA-N 267.513 3.522 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cn(C)nc2C2CC2)c1 899351057 YDEMNQQRYMKBAG-MDZDMXLPSA-N 296.370 3.592 30 20 CHED N#Cc1ccc(NN=Cc2ccccc2)cc1Cl 783878187 QLCKEULUWRKIGP-UHFFFAOYSA-N 255.708 3.658 30 20 CHED Cc1ccc(F)cc1CON=Cc1cccc(F)c1 783552705 IGIGLIHVZQPQNK-UHFFFAOYSA-N 261.271 3.824 30 20 CHED CC(C)Oc1ccccc1C=NOCc1ccc(F)cn1 786734022 HWMRMDNFCTVMGQ-UHFFFAOYSA-N 288.322 3.559 30 20 CHED CC(=NNc1ccccc1F)c1c(C)cc(C)cc1O 799874206 BERCGKTZTNAVSH-UHFFFAOYSA-N 272.323 3.984 30 20 CHED N#Cc1cc(F)cc(NC(=O)N2CCCCCCCC2)c1 1208346353 VMQVGZHOIGVPPB-UHFFFAOYSA-N 289.354 3.885 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](CC(C)C)c1ccccc1 791741702 QTMUWODIVPESEN-SJORKVTESA-N 271.404 3.734 30 20 CHED CC(F)(F)c1ccc(C(=O)OCC2(CC#N)CC2)cc1 796927781 NEXFKYYDBBUIGV-UHFFFAOYSA-N 279.286 3.649 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNCCC(F)(F)F 794544525 ADBKFQKPZSMWLM-GHMZBOCLSA-N 264.335 3.977 30 20 CHED CCCC[C@@H](CC)C(=O)NO[C@@H](C)c1ccc(C#N)cc1 794725421 GLVHLUYYCGVZGH-DZGCQCFKSA-N 288.391 3.883 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)c1n[nH]c(CC)n1 793548752 VERPDHJANIKVDR-QWHCGFSZSA-N 264.417 3.543 30 20 CHED C#CCCCN[C@H](C)Cc1ccccc1C(F)(F)F 795794427 DEAQCZNAQFALST-GFCCVEGCSA-N 269.310 3.639 30 20 CHED Cc1cccc(CC/N=C/c2c(O)ccc3ccccc23)n1 794834736 SQHAVVPINDTOOB-DEDYPNTBSA-N 290.366 3.910 30 20 CHED CCCCCCCNC(=O)c1ccncc1Br 703708667 MRZXDNAOSAAJKW-UHFFFAOYSA-N 299.212 3.544 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1cccc(F)c1F 799444121 JXMOXRZYURDLEI-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 791068431 UGCZLVIBMDMYCT-JKSUJKDBSA-N 286.419 3.808 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 723606990 FOJOSJKAWGZYNT-BZUAXINKSA-N 261.409 3.655 30 20 CHED CCN(Cc1ccccc1C(F)(F)F)C[C@@H](C)C#N 60569275 YGAHWJPREXVBKT-NSHDSACASA-N 270.298 3.687 30 20 CHED CCO[C@H]1CC(=NNc2cccc(F)n2)C12CCCCC2 795005658 BWSDTGVABAEZPW-ZDUSSCGKSA-N 291.370 3.748 30 20 CHED Clc1cccc(NN=Cc2cnc(C3CCC3)s2)n1 793181431 QVUKVPDCMOZUNR-UHFFFAOYSA-N 292.795 3.905 30 20 CHED CCCOC(=O)c1sc2ccc(C#N)cc2c1C 796623926 HLBWRQHLTQPZIO-UHFFFAOYSA-N 259.330 3.648 30 20 CHED CC1(NCc2ccc(C#N)c(F)c2)CCC(F)(F)CC1 591502706 LWYKWDGVSNZWOX-UHFFFAOYSA-N 282.309 3.755 30 20 CHED C=CCOC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C 796172059 JWVVRNPYVOWYCG-UHFFFAOYSA-N 291.347 3.685 30 20 CHED CC[C@H](Nc1cc(C#N)nc(C)n1)C(C)(C)c1ccccc1 1307069125 PJIWSQDCLWXNKT-INIZCTEOSA-N 294.402 3.825 30 20 CHED CCc1ccc(C2CCN(c3cccc(C#N)n3)CC2)cc1 1307178583 DJFAKOQXIWPCRF-UHFFFAOYSA-N 291.398 3.900 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccc2c(c1)CCC2 1317852077 GBKNEVVNQFTTDE-XDHOZWIPSA-N 281.355 3.509 30 20 CHED C=CCCCCN1CCC(O)(Cc2ccccc2F)CC1 1325191673 RHAQFYCVBDRGFG-UHFFFAOYSA-N 291.410 3.551 30 20 CHED CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1cccc(OCC#N)c1 1320578600 WTGUKAQRJXIVJE-YXJHDRRASA-N 286.419 3.893 30 20 CHED CC(C)C1CCC(Nc2cccc(CC#N)n2)CC1 1321329460 VULLYYIYZOTOSJ-UHFFFAOYSA-N 257.381 3.774 30 20 CHED N#CCC1(CON=C(c2ccccc2)C(F)(F)F)CC1 1327144263 FYWKWWUPAIHSDQ-UHFFFAOYSA-N 282.265 3.663 30 20 CHED CCCCN(CCCC)C(=O)CC#Cc1ccccc1 1323858108 WVHUCVZXQKMHLI-UHFFFAOYSA-N 271.404 3.857 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccc(-c2cccs2)s1 1320017822 SCKVENUMHWXKDZ-SNVBAGLBSA-N 290.413 3.708 30 20 CHED CSc1ccc(/C=C\c2cc(C#N)ccn2)cc1 1322365597 AJHOCOHQSIVLPP-DJWKRKHSSA-N 252.342 3.846 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1329887317 IWILMAPRHRIGQR-MRXNPFEDSA-N 298.430 3.776 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)c2ccc(F)cc2F)c1 1323161618 CHOVBYQJYKRERQ-GFCCVEGCSA-N 299.320 3.713 30 20 CHED CCCCCCCCN1CCOC[C@@H]1c1cccn1C 1255425179 ZESXFLOWJCSQKQ-QGZVFWFLSA-N 278.440 3.759 30 20 CHED C=CCC1(NC(=O)/C=C/c2nccs2)CCCCC1 1337485415 BZUAOJZWDSZXSO-VOTSOKGWSA-N 276.405 3.552 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)c1ccc(C)o1 1337487717 FTQUVTLFIRRYQX-ZIAGYGMSSA-N 261.365 3.649 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1coc(-c2ccccc2)n1 1337549896 FZPLHYBMRKWKRY-OAHLLOKOSA-N 296.370 3.912 30 20 CHED CC1(C)CN(C(=O)CC#Cc2ccccc2)c2ccccc21 1336656547 ZAOFIZDLPWOHAU-UHFFFAOYSA-N 289.378 3.753 30 20 CHED C=C(C)CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 1262585757 LNPQWFFWCXYDDL-UHFFFAOYSA-N 288.391 3.966 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)[C@H](C#N)c2cccc(F)n2)cc1 1263379562 PWFDAJLFIHBYTI-UKRRQHHQSA-N 296.345 3.584 30 20 CHED C=C(C)CCC(=O)Nc1ccc(C)c(NC(C)=O)c1C 1262604101 GTUNZYZIMFJJPY-UHFFFAOYSA-N 274.364 3.557 30 20 CHED C#CCCCCCC(=O)Nc1cncc(C(F)(F)F)c1 1263925336 DOKHDOHFIGJYHM-UHFFFAOYSA-N 284.281 3.623 30 20 CHED Cc1cc(CCNc2cccc(CC#N)n2)ccc1Cl 1347425467 PSIBKKSLOVPKEW-UHFFFAOYSA-N 285.778 3.764 30 20 CHED CCc1sc(C(=O)[C@H](C#N)c2cccc(F)n2)cc1C 1347105730 AMNXZOHIQQCNQC-SNVBAGLBSA-N 288.347 3.643 30 20 CHED CCCC(=NNCC1CCOCC1)c1cc(C)sc1C 1351651859 QGNVYCBSQHFATA-UHFFFAOYSA-N 294.464 3.885 30 20 CHED N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)c(F)c1 1355098703 LYGYJGCEUUYJQG-QGZVFWFLSA-N 294.329 3.578 30 20 CHED C[C@@H](NC(=O)c1ccc(CC#N)cc1)C1CCCCCC1 1528459129 YVPWZLPYIWIHAK-CQSZACIVSA-N 284.403 3.841 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2cc(C#N)ccc2F)cc1 1528456755 RFOCYSDJAGFGQP-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED N#Cc1ccc(F)c(C(=O)OCc2ccccc2Cl)c1 1522668688 VQHILJYTAZLPHE-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1ccc(CS[C@@H](C(=O)O)c2ccc(C#N)cc2)o1 1600421913 KVQDJJVFQCMVKD-CQSZACIVSA-N 287.340 3.519 30 20 CHED N#Cc1ccc(C(=O)NC2(c3ccccc3)CCC2)c(F)c1 1531739911 KGOPIHWPUBNKEA-UHFFFAOYSA-N 294.329 3.507 30 20 CHED C/C(=C\Cl)CSCc1cccc(C(=O)O)c1C#N 1602980885 FPPFVJMZGBZOLX-WEVVVXLNSA-N 281.764 3.632 30 20 CHED CC(C)C[C@H](C)CNC1CCN(c2ccccc2C#N)CC1 1474656712 MWSCOSPRHOWMMY-INIZCTEOSA-N 299.462 3.799 30 20 CHED C=C(CNC(=O)c1ccc2ccn(C)c2c1)c1ccccc1 1535088547 PGQLUAJXEGUXPZ-UHFFFAOYSA-N 290.366 3.622 30 20 CHED C=C(CC)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 1548684944 ZRNUGVQKOUSJOV-NSHDSACASA-N 293.235 3.651 30 20 CHED CN(CCC1CCCCC1)C(=O)c1ccc(C#N)cc1F 1627505287 YAYHPKZPXXTXSS-UHFFFAOYSA-N 288.366 3.740 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1627603517 TVYCBUPRCKJPDQ-NEPJUHHUSA-N 285.391 3.895 30 20 CHED Cc1cc(O)cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 1631445650 QNXUCYAGMAMUJG-UHFFFAOYSA-N 294.354 3.754 30 20 CHED N#Cc1ccnc(CSc2ccc(C#N)cc2Cl)c1 1640998627 IEKKHZGIOQPPIX-UHFFFAOYSA-N 285.759 3.771 30 20 CHED N#Cc1cnc(N2CCC[C@@H](C3CCCCC3)C2)c(F)c1 1642981299 CTYHREYUECWOIS-OAHLLOKOSA-N 287.382 3.889 30 20 CHED C=CCC1(CN[C@H](C)c2ncc(C(=O)O)s2)CCCC1 1588767152 LXLWIENNTGLOOL-LLVKDONJSA-N 294.420 3.628 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)o2)c2ccccc2c1 1583130682 NYGVKYUSIYHHOO-UHFFFAOYSA-N 276.295 3.865 30 20 CHED CCCC[C@@H](S[C@@H](C#N)Cc1ccc(C)cc1)C(=O)O 1595651552 HUOVHWQAPNVHIB-HUUCEWRRSA-N 291.416 3.806 30 20 CHED CC(C)CC(CC(C)C)NC(=O)NCC(C)(C)CC#N 1678685867 LWBNYEOAZWRHJP-UHFFFAOYSA-N 281.444 3.686 30 20 CHED C=CCCCN(C)[C@H](C(=O)O)c1ccc(F)c(Cl)c1 1776174020 BAXDUOBBPIXDGJ-ZDUSSCGKSA-N 285.746 3.503 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2cncc(F)c2)c1 150951905 SKZFEWKNUNKYAH-VOTSOKGWSA-N 285.318 3.904 30 20 CHED CCO[C@H](C)c1noc(CSCCCC(C)(C)C#N)n1 161834342 WNXKXHBQVZOAQQ-LLVKDONJSA-N 297.424 3.730 30 20 CHED C=C(C)CN(CC)Cc1cccc(OCCCC#N)c1 158995422 LCQYJVCCERFRES-UHFFFAOYSA-N 272.392 3.767 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)cc1F 151141080 KNBHSSVCGGSEIS-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED N#CCC[C@H](NC(=O)c1ccc(Cl)o1)c1ccccc1 153688422 KFNYNZXAWRMPPY-LBPRGKRZSA-N 288.734 3.708 30 20 CHED C[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)c1 154080639 LVAVCNZINUOLKY-VIFPVBQESA-N 254.255 3.566 30 20 CHED COc1cc(C#N)ccc1CSc1ncc2ccccn12 154738810 HJDUWDJQTUVEFS-UHFFFAOYSA-N 295.367 3.507 30 20 CHED CCCCNc1ccccc1Oc1ncccc1C#N 154764946 QRUKNATUPAFCER-UHFFFAOYSA-N 267.332 3.958 30 20 CHED C#CCCCCNC(=O)N(Cc1ccc(C)s1)C(C)C 154958807 MMWUJOURWXJCGC-UHFFFAOYSA-N 292.448 3.780 30 20 CHED C=CCC[C@@H](NCc1ccc(OC)nc1)c1ccccc1 159898058 HGRYMVFTBGEHTA-QGZVFWFLSA-N 282.387 3.887 30 20 CHED Cc1cc(CN(CCC#N)Cc2ccco2)ccc1F 159581433 ILEAPFJUNSLKCZ-UHFFFAOYSA-N 272.323 3.643 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)Cc1cnn(C)c1 825045179 CEQXVMDXBLIKKH-LSDHHAIUSA-N 265.445 3.690 30 20 CHED Cc1nc2c(n1CCCCC(C)(C)C#N)CCCC2 235964640 VRJLHARUOBFAGT-UHFFFAOYSA-N 259.397 3.790 30 20 CHED CC[C@](C)(C#N)NC(=O)CCCC1CCCCC1 127374810 KUUPPWSMYNSETP-OAHLLOKOSA-N 250.386 3.545 30 20 CHED C[C@@H]1CCC[C@@H](C)N1CCCOc1cccc(C#N)c1 34674284 GBGWUAANLYTVBX-HUUCEWRRSA-N 272.392 3.590 30 20 CHED CC(C)(C)c1nsc(Oc2ccc(C#N)cc2F)n1 160013603 BRHYMRNSFZCDMP-UHFFFAOYSA-N 277.324 3.639 30 20 CHED Cc1cccc(CNc2ccc(CC#N)cc2)c1C 42244158 KHXMMFOWARYLFA-UHFFFAOYSA-N 250.345 3.982 30 20 CHED C[C@@H](Cc1ccccc1Cl)NCc1ccc(C#N)cc1 36936291 PUTAVPCCKDBHIP-ZDUSSCGKSA-N 284.790 3.932 30 20 CHED CN(CC#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 170627253 NTHRUXHDIKTUDB-UHFFFAOYSA-N 299.182 3.804 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1c[nH]c2ccccc12 281165997 XFFWMAZJXKPIFF-CQSZACIVSA-N 270.376 3.571 30 20 CHED N#CC1(C(=O)Nc2ccc(F)cc2Cl)CCCCC1 44385280 MIHXXQRMFPHLJY-UHFFFAOYSA-N 280.730 3.892 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(C)c(Cl)cc1OC 44764703 CABHQEFNEZLBNQ-UHFFFAOYSA-N 294.782 3.926 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CC(C)(F)F 279511483 QKHOQWNLLUEPHF-UHFFFAOYSA-N 267.319 3.637 30 20 CHED Cc1cnccc1CCNc1ccc(Cl)cc1C#N 301876102 YJQXYMFZZKEZEQ-UHFFFAOYSA-N 271.751 3.570 30 20 CHED Cc1cc(C#N)cc(N[C@H]2CCc3ccccc3C2)c1 308120300 GFDYOLCZCFLRAH-KRWDZBQOSA-N 262.356 3.836 30 20 CHED CC[C@H](CNCc1ccc(C#N)cc1F)CC(F)(F)F 402494755 RCBWYAALTLBJSZ-JTQLQIEISA-N 288.288 3.766 30 20 CHED C[C@H]1[C@H](NCC(C)(C)CCC#N)CCN1Cc1ccccc1 309842919 WWYLWLREKKHSGC-FUHWJXTLSA-N 299.462 3.569 30 20 CHED C=CCC(C)(C)CNc1nc(C(F)(F)F)ns1 310550479 GGHGDGYJQVRFCP-UHFFFAOYSA-N 265.304 3.571 30 20 CHED Cc1nc(Oc2ccc(F)cc2F)c(Cl)cc1C#N 311686248 JQMZCHKYVACUPW-UHFFFAOYSA-N 280.661 3.986 30 20 CHED CC(=O)c1ccc(OCc2cccc(C#N)c2)c(C)c1 77166581 HVDLUADUABBIPS-UHFFFAOYSA-N 265.312 3.648 30 20 CHED CC[C@H]1CCCC[C@H]1Nc1ncc(C#N)cc1Cl 608885339 WDUMCUUAUQMCLU-WCQYABFASA-N 263.772 3.987 30 20 CHED C[C@@H]1C[C@H](NCc2ccc(C#N)cc2)c2ccccc21 313514370 MSZRJUXNMKKBOJ-ACJLOTCBSA-N 262.356 3.896 30 20 CHED CN(C)C1(CNc2cc(Cl)ccc2C#N)CCCCC1 609890169 RDAHCYNMSHAPMW-UHFFFAOYSA-N 291.826 3.888 30 20 CHED C=CCC[C@@H](CO)NC1CC(c2ccccc2Cl)C1 321059819 YBHGCLOBDJNUFI-MOKVOYLWSA-N 279.811 3.503 30 20 CHED COC1(COc2ccc(C#N)c3ccccc23)CCC1 419058177 VWKWVJZRPHPPKQ-UHFFFAOYSA-N 267.328 3.659 30 20 CHED N#Cc1c(F)cccc1N1CCC2(CCCC2)CC1 84219895 PPWLVHSVAXPLFE-UHFFFAOYSA-N 258.340 3.858 30 20 CHED C=C(CC)CN1CCC(CN(C)Cc2ccccc2)CC1 540204663 RNEFXXPAPYRJAX-UHFFFAOYSA-N 286.463 3.797 30 20 CHED Cc1ccc(C#N)c(NCCc2cccc(Cl)c2)n1 341403379 NOJJHBJHFMFOEA-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cccc(C#N)c1 54272020 OZJXGKJUVSMMBL-UHFFFAOYSA-N 292.382 3.755 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)c1coc2ccccc12 113023428 ZKFHTUWZFVYOPZ-UHFFFAOYSA-N 290.322 3.577 30 20 CHED C=CCCC(=O)Nc1cccc(Br)c1COC 102259202 ICHJIGCUHYLLHR-UHFFFAOYSA-N 298.180 3.500 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1ccc(O)c(F)c1 170851856 CSUDVFVSIDYGSE-GORDUTHDSA-N 278.229 3.706 30 20 CHED N#Cc1ccc(NC(=O)NCCc2ccccc2)cc1Cl 58859646 ZHISTUKVEZWHPX-UHFFFAOYSA-N 299.761 3.576 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1sccc1C#N 52028086 OVQAMDNPZWLGMQ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC(=O)c1ccc(OCc2ccc(F)cc2C#N)cc1F 105935853 JLKSKIQEJDDYLZ-UHFFFAOYSA-N 287.265 3.618 30 20 CHED CCCN(CC#N)C(=O)c1ccc2c(c1)Cc1ccccc1-2 56485265 NVOGPGLAPMZDPO-UHFFFAOYSA-N 290.366 3.634 30 20 CHED C=CCCCC(=O)N[C@H](C)c1cccc(Cl)c1 175074330 WHVJWYYWRJHYJJ-LLVKDONJSA-N 251.757 3.874 30 20 CHED C=CCCC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 60365050 BUGTWEFMQNUTSQ-UHFFFAOYSA-N 277.412 3.840 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1cccc2ccccc12 116951288 ZDQCOSVHQYQJOT-CYBMUJFWSA-N 268.360 3.604 30 20 CHED N#Cc1ccc(CNCC2(Sc3ccccc3)CC2)cc1 69025997 DBDCRBDXAVFVDX-UHFFFAOYSA-N 294.423 3.973 30 20 CHED Cc1ccc(-c2noc(C3(C#N)CCCCC3)n2)c(F)c1 408233208 ZACOZIUZEXHKOV-UHFFFAOYSA-N 285.322 3.910 30 20 CHED Cc1nc(C)c(C#N)c(SCc2ccccc2C)n1 25962081 PQVONUWKMSGJLR-UHFFFAOYSA-N 269.373 3.566 30 20 CHED C[C@H](Nc1ccc(C#N)c(Cl)c1)C(C)(C)CN(C)C 301635798 LKHPBCSJDPWPEL-NSHDSACASA-N 279.815 3.600 30 20 CHED C=CC[C@@H](C)NC(=O)C(C)(C)Oc1cccc(Cl)c1 116862515 PEBNMIDWBVIBBF-LLVKDONJSA-N 281.783 3.578 30 20 CHED C=CCCCOC(=O)c1cc(C(C)C)nc2onc(C)c12 117993891 ZYUXFVUHXVHPNR-UHFFFAOYSA-N 288.347 3.778 30 20 CHED CCCCc1nc(COc2ccc(C#N)cc2)cs1 60801525 UCSLFGXCIORXQF-UHFFFAOYSA-N 272.373 3.936 30 20 CHED N#Cc1ccc(NCC2(Sc3ccccc3)CC2)cn1 301496760 CIDGUIJVPXBJLB-UHFFFAOYSA-N 281.384 3.690 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1CCCO[C@H]1C(C)(C)C 174408357 MXRXOIZYWQZPLM-LSDHHAIUSA-N 280.456 3.747 30 20 CHED Cc1ccccc1NC(=O)[C@H](C)Sc1cccc(C#N)c1 177103858 JHBZKXFAZCVJCL-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED CC(C)C[C@@H]1CCN(c2c(C#N)cnc3ccccc23)C1 301420929 IEGXQPONTQLLLN-AWEZNQCLSA-N 279.387 3.979 30 20 CHED C=CCCOCCN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 300413390 BNQAUZFNRDLMHV-HRCADAONSA-N 251.414 3.528 30 20 CHED CC(C)[C@@H](SCc1ccccc1)C(=O)OCCCC#N 171224964 LVFVDJBUFUOYKV-OAHLLOKOSA-N 291.416 3.791 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1C 175177074 WXKYZJZCAWJSHX-CHWSQXEVSA-N 285.391 3.750 30 20 CHED CN(C(=O)CCCC1CCCC1)c1cccc(C#N)c1 173828025 VDUNZVSSZKAUOS-UHFFFAOYSA-N 270.376 3.882 30 20 CHED C=C(Br)CSc1nnc(SCC)s1 60422688 ZFQPSXWPMZHOAK-UHFFFAOYSA-N 297.268 3.651 30 20 CHED C[C@H](CC1CCCCC1)CN(CCC#N)CCC#N 187359094 SNXVYCSYOVESQW-OAHLLOKOSA-N 261.413 3.722 30 20 CHED C[C@@H](C#N)CNc1ncnc2sc(-c3ccccc3)cc12 301426276 HIHZCASJBXKXLT-NSHDSACASA-N 294.383 3.930 30 20 CHED C[C@H]1CCCN(c2ccc(C#N)c(Br)c2)[C@H]1C 300294805 KYXMYDKVBVYASA-QWRGUYRKSA-N 293.208 3.946 30 20 CHED C=C[C@H](CC(=O)NCc1ccccc1F)c1ccccc1 122716595 ISHJNUTYQZKBPE-CQSZACIVSA-N 283.346 3.802 30 20 CHED CC(=O)c1ccc(OCc2ccc(Cl)cc2C#N)cc1 185232077 PLUKAEZWURBOKX-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CC[C@@H](CC#N)NC(=O)/C(C)=C/c1cccc(Cl)c1 183877470 ZVPKOOXQQNOCMQ-MARXPDLDSA-N 276.767 3.552 30 20 CHED CC(=O)c1ccc(N[C@@H](CCC#N)c2ccccc2)nc1 181231567 MXFQCCFXMVIWID-INIZCTEOSA-N 279.343 3.741 30 20 CHED C#CC[C@H](OC(=O)c1cccc(Cl)c1)c1ccccn1 73294821 ZMDPCGWUALKTJX-HNNXBMFYSA-N 285.730 3.656 30 20 CHED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F 185764607 GDCCPFGAONQANF-GVXVVHGQSA-N 264.319 3.698 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)[C@H](C)CC 181006236 JQWGTPHKDALCEM-CHWSQXEVSA-N 252.402 3.647 30 20 CHED O=C(NCC#Cc1ccccc1)[C@@H]1CCC[C@H]2CCCC[C@H]21 506140350 APFRSTSQTRXIBP-GUDVDZBRSA-N 295.426 3.761 30 20 CHED C=CCCCC(=O)Nc1cccc2c(OC)nccc12 412406594 BLGNXCJQPSJJAW-UHFFFAOYSA-N 270.332 3.538 30 20 CHED CCCCCCCC(=O)Oc1ccc(NC(C)=O)cc1 127676939 FMSIHPQFJSZQTA-UHFFFAOYSA-N 277.364 3.911 30 20 CHED C=CCCC(=O)Nc1ccc(CC(F)(F)F)cc1 127340816 UONLFZASQZMVMU-UHFFFAOYSA-N 257.255 3.696 30 20 CHED Cc1cc(C(=O)N(C)c2cccc(C#N)c2)c(C)n1C1CC1 126524511 RWZKUFIEIMHPKR-UHFFFAOYSA-N 293.370 3.588 30 20 CHED Cc1nc(N[C@H](C)c2ccc(C#N)cc2)c(Cl)cc1C#N 314981977 XSGDOGJVQLHENI-SNVBAGLBSA-N 296.761 3.960 30 20 CHED C=CC1CCN(Cc2ccc3ncccc3c2)CC1 124992388 XNNMDESQSQDMAX-UHFFFAOYSA-N 252.361 3.633 30 20 CHED Cc1nsc(NC[C@@H]2CCCCC(F)(F)C2)c1C#N 488429236 DMUBXXBAJBMKKW-SNVBAGLBSA-N 285.363 3.951 30 20 CHED C=CCCSc1nc(C)cc(C(F)(F)F)c1C#N 128670724 MBKNUAWNEXYGHP-UHFFFAOYSA-N 272.295 3.949 30 20 CHED Cc1ncc(C[S@@](=O)CCC2(C#N)CCCCC2)s1 417158373 VQVTWCAZSRMYTN-IBGZPJMESA-N 296.461 3.564 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1c[nH]c2ccc(Cl)cc12 410135836 OUTJXKGDRRDUBA-ZDUSSCGKSA-N 290.794 3.835 30 20 CHED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 213478792 SWHJXBXLMHFOEJ-WDZFZDKYSA-N 292.313 3.908 30 20 CHED CC#CCCSCCOc1ccccc1OCC 184933092 JEHNSZQUPCEZGX-UHFFFAOYSA-N 264.390 3.611 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)n(C(CC)CC)n2)c1 182980917 MVBPXOOXICBVMI-UHFFFAOYSA-N 295.386 3.786 30 20 CHED CCCCOc1ccccc1CNCCCCC#N 185244550 XSCMEYDYNJIHGS-UHFFFAOYSA-N 260.381 3.649 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1cccc(C)c1C 182946994 BEYVVRPJQDPLGK-CQSZACIVSA-N 260.381 3.582 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC(c2cccc(Cl)c2)C1 412388001 OEQPTLDAFPQSFE-INIZCTEOSA-N 277.795 3.868 30 20 CHED C=CCC[C@@H](C(=O)NC[C@H]1CCCS1)c1ccccc1 188522400 MWYRNJCZPIKMKP-HZPDHXFCSA-N 289.444 3.748 30 20 CHED Cc1cc(CNCC(C)(C)c2cccs2)ccc1C#N 443997620 XODOWNHFOAJNGP-UHFFFAOYSA-N 284.428 3.996 30 20 CHED CC#CCCCC(=O)Nc1ccc(CCSC)cc1 185442295 ZSGKRGIMASZJSO-UHFFFAOYSA-N 275.417 3.724 30 20 CHED CC[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 75275899 ULCOLPFSJFEPMJ-KBXCAEBGSA-N 292.382 3.929 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cc1 45026919 UYMRJBBDBPKKDD-UHFFFAOYSA-N 299.761 3.876 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1c(F)cccc1Cl 181344337 AOZNFMBPNOMMDR-SNVBAGLBSA-N 284.762 3.758 30 20 CHED CC[C@@H]1CCCCN1CCNc1c(F)cc(C#N)cc1F 500418137 DOPPKSJJSCNNDA-CYBMUJFWSA-N 293.361 3.513 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 133210075 STJWEGHZLCFJBB-HUUCEWRRSA-N 292.382 3.848 30 20 CHED C[C@@H]1CCC[C@@H](CC(O)=Nc2nc3cccnc3n2C)C1 329384840 PRGPMOFJKWMVTA-VXGBXAGGSA-N 286.379 3.773 30 20 CHED CCc1[nH]nc(NCc2cccc(OCCCC#N)c2)c1C 134031934 HFUUXSUPDOBOCX-UHFFFAOYSA-N 298.390 3.575 30 20 CHED N#Cc1ccc(NCCc2ccc(Cl)s2)cc1 225734416 ZOTPVPGJXDGQFW-UHFFFAOYSA-N 262.765 3.928 30 20 CHED Cc1cc(Sc2ccccc2)ccc1NC(=O)CC#N 133195738 FPAOIPIDZCRNMP-UHFFFAOYSA-N 282.368 3.998 30 20 CHED C=CCC1(C(=O)NCC2(CCOC)CCCCC2)CCC1 190390011 BXRRTLXFXUCDSO-UHFFFAOYSA-N 293.451 3.836 30 20 CHED C=C(C)CCN(CCO)Cc1ccc(Cl)c(Cl)c1 508992535 VPRDBCGVYYEAIM-UHFFFAOYSA-N 288.218 3.754 30 20 CHED C#Cc1cccc(NC(=O)c2nc(Cl)sc2Cl)c1 816838950 PFDFMQCOIRNXJL-UHFFFAOYSA-N 297.166 3.684 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cncs1)CCO2 130123711 VQHURKWAYJKNBR-GHXNOFRVSA-N 285.368 3.809 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCCc1ccc(OC)cc1 190947174 OINKIKZVQGGOBB-SFHVURJKSA-N 289.419 3.689 30 20 CHED O=C(Cc1cccc2ccccc12)NCC#Cc1ccccc1 198886868 MEOONIBYBUGXFM-UHFFFAOYSA-N 299.373 3.550 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1c(C)cccc1C 424746076 ZARIJBCRIMYHLJ-UHFFFAOYSA-N 259.393 3.564 30 20 CHED C=CC[C@@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 192999924 ZDZKXZNRJGUREI-ABAIWWIYSA-N 260.337 3.526 30 20 CHED C[C@H](SCCOCC(F)F)c1cccc(C#N)c1 190067950 JTIGKXZUZFNHGV-JTQLQIEISA-N 271.332 3.634 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)cs2)c(Cl)c1 84058379 STQMSAQARGVEMD-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C[C@@H](OC(=O)COc1ccc2ccccc2c1)C(C)(C)C#N 131524360 OSUNOUHVCBQPJG-CYBMUJFWSA-N 297.354 3.700 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](CC(F)(F)F)C(C)C 510373189 DLEIZYVOKHJGDZ-CYBMUJFWSA-N 298.308 3.574 30 20 CHED C=CCCCC(=O)Nc1ccccc1N(C)C(C)C 425291731 SLKNYIXMWAMORU-UHFFFAOYSA-N 260.381 3.826 30 20 CHED COc1cc(Cl)ccc1[C@@H](C)NCCCCC#N 421822341 AGPIDJZTHDMRDK-LLVKDONJSA-N 266.772 3.693 30 20 CHED C=C(C)C(C)(C)c1nc(COc2ccc(F)cc2)no1 424217533 MCDZLYYRNGUEII-UHFFFAOYSA-N 276.311 3.641 30 20 CHED Cc1csc(SCC#Cc2ccc(F)cc2)n1 135263521 ZAYACJNNORERIS-UHFFFAOYSA-N 263.362 3.734 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2CC)cc1 512490405 XTNYRTYGPUYBFW-PBHICJAKSA-N 287.403 3.950 30 20 CHED C=CCC[C@H](NC[C@@H]1CC2(CCC2)C(=O)O1)c1ccccc1 192159902 PCJRKLSWZWSPEW-IRXDYDNUSA-N 299.414 3.769 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2cccc(CC#N)c2)cc1 49655579 BFLLHVXEHJVHPJ-HNNXBMFYSA-N 292.382 3.894 30 20 CHED O=C(/C=C/c1sccc1Cl)c1cc(O)cc(O)c1 195339501 FXQZVSVJKODKTC-OWOJBTEDSA-N 280.732 3.709 30 20 CHED C=CCOc1ccccc1C(=O)N1CCc2cc(F)ccc21 512436090 MPQXVWGTEWZXAE-UHFFFAOYSA-N 297.329 3.593 30 20 CHED CC(C)C1(C)CCN(C(=O)c2ccc(C#N)s2)CC1 428428076 VUFCESDYJDLRAJ-UHFFFAOYSA-N 276.405 3.518 30 20 CHED C=CCN(Cc1cn(C(C)(C)C)nn1)CC1CCCCC1 191357576 RVWTXQLUAJYTNX-UHFFFAOYSA-N 290.455 3.601 30 20 CHED Cc1csc(NC(=O)c2ccc(F)c(F)c2F)c1C#N 336179605 IUDDCSRCKDGGIU-UHFFFAOYSA-N 296.273 3.598 30 20 CHED CC[C@H](NCc1cc(C#N)cs1)c1cccs1 93492502 JXLBJYAHADHDIE-LBPRGKRZSA-N 262.403 3.922 30 20 CHED C=CCCCCCN1CCN(C2CCC2)C[C@H](C)C1 429378219 HAJUXHAWJFBETC-MRXNPFEDSA-N 264.457 3.539 30 20 CHED C#CCCCCN[C@H]1CCC[C@H]1c1ccc(F)cc1 90399405 JGVOTHDMDSCDPB-IRXDYDNUSA-N 259.368 3.855 30 20 CHED CSc1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)ccc1Cl 335641612 UNNMMFRAFHRWOJ-SDBXPKJASA-N 280.780 3.550 30 20 CHED N#CCCC1CCN(C(=O)Nc2cccc3[nH]ccc23)CC1 335380723 PIFSVAIPUUZCMB-UHFFFAOYSA-N 296.374 3.716 30 20 CHED Cc1ncc([C@H](C)N[C@H](CCC#N)c2ccccc2)c(C)n1 90664984 SOAZEACXFWOACR-KBXCAEBGSA-N 294.402 3.789 30 20 CHED CCc1cncc(/C(O)=N/[C@@H]2CCCO[C@@H]2CC(C)C)c1 330950317 JLABIMSBYFYUER-HZPDHXFCSA-N 290.407 3.542 30 20 CHED CCc1cnc(N=C(O)c2sc(CC)nc2C)s1 330923884 TWNLXDSAKDWKJK-UHFFFAOYSA-N 281.406 3.669 30 20 CHED Cc1ccc2c(c1)[C@H](NCCc1cccc(C#N)c1)[C@H](C)C2 514692201 NPCZIDBCVWIWOC-FOIQADDNSA-N 290.410 3.932 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(SC)cc1 90883698 ZBONCTJNCUTDSU-CYBMUJFWSA-N 265.422 3.652 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1csc2ccccc12 334426163 VKRRYBWYCNCHOJ-UHFFFAOYSA-N 272.373 3.523 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2CCCC[C@H]2CC)c1C 331133952 POUXDCGSBMWXSZ-GXTWGEPZSA-N 292.427 3.973 30 20 CHED CCC[C@@H]1CCCCN1C(O)=Nc1cnn(CC(C)C)c1 330895325 RYFOUQYPPKTPBR-OAHLLOKOSA-N 292.427 3.739 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@H]1C)c1ccccc1 337109711 VAOQKPHNJOZNIK-TXCZRRACSA-N 287.403 3.624 30 20 CHED CCC[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1CCCC1 334034289 MUOHQTHLXWFVGW-CRAIPNDOSA-N 288.435 3.936 30 20 CHED CCCOc1cccc(COc2ccc(C#N)cc2OC)c1 436474458 OZNNOFZNHVRDHX-UHFFFAOYSA-N 297.354 3.935 30 20 CHED OC(=Nc1nc2ccsc2s1)[C@H]1CCCOCC1 330157887 ZNHXTJANAOHXLA-QMMMGPOBSA-N 282.390 3.763 30 20 CHED Cc1nnc(NC[C@H](c2ccccc2)C2CC2)c(C#N)c1C 431477676 MLONFXAQBQQKSK-QGZVFWFLSA-N 292.386 3.571 30 20 CHED CS[C@H]1CCCCN(c2ccc3cc(C#N)ccc3n2)C1 92923690 PFBLSAPMVBECLV-HNNXBMFYSA-N 297.427 3.828 30 20 CHED Cc1nc(C(O)=Nc2nc(CC(C)(C)C)cs2)c(C)o1 330540219 HDXZBZOMVYHILS-UHFFFAOYSA-N 293.392 3.973 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)c(F)c1 435791825 RAGZHADVNINODT-SHTZXODSSA-N 298.336 3.872 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1 90580670 JMNKDFGYDNHDRI-WMLDXEAASA-N 269.392 3.778 30 20 CHED CC[C@](C)(NCc1ccc(CC#N)cc1)c1nccs1 342725555 KGHBQVGLXMVECB-INIZCTEOSA-N 285.416 3.624 30 20 CHED C=CCSCCN[C@H](c1ccc(C)o1)C1CCC1 349520136 RKPYSMBKHCJLQZ-HNNXBMFYSA-N 265.422 3.938 30 20 CHED CCCCCCCN1CCN(CC(F)(F)F)[C@@H](C)C1 245732481 UAUFFPGYGPJULX-ZDUSSCGKSA-N 280.378 3.525 30 20 CHED C=CCC[C@H](O)CN[C@@H](CC(F)(F)F)c1ccccc1 341571948 IQCBUIARECZIFX-KBPBESRZSA-N 287.325 3.597 30 20 CHED CCC(CC)n1ccc(Cn2nc(C#N)c3ccccc32)n1 432459383 YPUSFLDVVZKIMU-UHFFFAOYSA-N 293.374 3.514 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2ccccc2)cc1OC 437885562 AGUCYQAKTSHSEZ-UHFFFAOYSA-N 298.342 3.795 30 20 CHED CC[C@H](C#N)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 608816413 GEAYSXVPSHQBPZ-CQSZACIVSA-N 298.317 3.650 30 20 CHED C=CCCN(C)C(=O)[C@H](C)c1cc2ccccc2o1 342017666 LXNCUAYZIYYFDF-GFCCVEGCSA-N 257.333 3.571 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(CSC)cc1 346141770 RJBPSDHEGAUNSP-HNNXBMFYSA-N 292.448 3.704 30 20 CHED C[C@@H](CCNC(=O)c1ccccc1CC#N)c1ccccc1 601028497 OQABSQCSVWICTI-HNNXBMFYSA-N 292.382 3.676 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(F)cc2C)ccc1O 255536646 UFIOQPLKOPZIQK-DAXSKMNVSA-N 286.302 3.744 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1CC[C@H](C)CC1 602391854 HFVSMIVZTIKDTA-MQMHXKEQSA-N 288.366 3.817 30 20 CHED N#CC[C@@H]1CC[C@H](NC(=O)c2cc3cscc3s2)C1 529443720 DTGMMMCBKUUVAW-ONGXEEELSA-N 290.413 3.775 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)c(F)c1F 602309268 SGKDYSQQZPQCMK-UHFFFAOYSA-N 294.345 3.818 30 20 CHED Cc1ncc([C@@H](C)NCc2ccc(C#N)cc2Cl)s1 602957323 RSZQOKMTOWDVFE-SECBINFHSA-N 291.807 3.827 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccn(C)c1 346728374 XUBFPJFLIUDNBK-LBPRGKRZSA-N 299.399 3.529 30 20 CHED C=C(C)CS(=O)(=O)N1c2ccccc2CC[C@H]1CCC 435421089 HKGHZYFHHBROJL-OAHLLOKOSA-N 293.432 3.514 30 20 CHED C=C(C)CN(CC)C(=O)Cc1coc2ccc(C)cc12 527900396 GZNNUYGCCCNSJB-UHFFFAOYSA-N 271.360 3.708 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)o1 255416171 IJJSROIXCHEXLG-PLNGDYQASA-N 286.718 3.785 30 20 CHED CC[C@@H](CC#N)NC(=O)c1sc2ccc(C#N)cc2c1C 346717211 FSBWJDNKISFOPF-LBPRGKRZSA-N 297.383 3.503 30 20 CHED C=CCCN(C)Cc1csc(-c2ccc(C)o2)n1 342736656 KARIGGLQQAOFDC-UHFFFAOYSA-N 262.378 3.719 30 20 CHED Cc1nc(C(F)(F)F)ccc1OCc1cccc(C#N)c1 349762950 GGIJDRNYFHPORB-UHFFFAOYSA-N 292.260 3.860 30 20 CHED O=C(Nc1ccccc1C#Cc1ccccc1)c1cc[nH]c1 349995595 XYFNKMWDJPIINO-UHFFFAOYSA-N 286.334 3.667 30 20 CHED C[C@H](CSc1ccc(C#N)cn1)c1ccccc1 522624697 MGPKUICGQFDOJI-GFCCVEGCSA-N 254.358 3.849 30 20 CHED C[C@H](CCC#N)CN[C@H](C)CCCC(F)(F)F 602634699 OGJBKSZNDBQHTK-GHMZBOCLSA-N 250.308 3.637 30 20 CHED CCC(CC)[C@@H](CCNc1ncc(C#N)cc1Cl)OC 446878897 GKVXRCUGIDGCGU-CQSZACIVSA-N 295.814 3.860 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCOc2ccc(Cl)c(F)c2)C1 449485232 LJLYOXNHDPAVDO-VXGBXAGGSA-N 296.773 3.530 30 20 CHED C=CCC[C@@H](NCCCNc1ccccn1)c1ccco1 353528157 NRCXIJHHFYVARQ-OAHLLOKOSA-N 285.391 3.774 30 20 CHED C=CC[C@H](C(=O)NCC(C)(C)CCC#N)c1ccccc1 359762530 IWVKTSCKXIKRTB-INIZCTEOSA-N 284.403 3.792 30 20 CHED CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)[C@@H]1CCC#N 601937813 IIHUHAMETNJJJQ-GFCCVEGCSA-N 296.157 3.636 30 20 CHED C[C@@H](CCC#N)CNc1ccccc1N1CCCC1 602492708 PDGNJKOIMWDJHJ-AWEZNQCLSA-N 257.381 3.639 30 20 CHED C=CCCCC(=O)NC[C@H](CC)Oc1cccc(Cl)c1 440631804 AWQWJKSWGYRJQP-AWEZNQCLSA-N 295.810 3.970 30 20 CHED CC(C)(CCC#N)CNC(=O)C1C2CC3CC(C2)CC1C3 359772788 LORBSZLPBIIBHA-UHFFFAOYSA-N 288.435 3.505 30 20 CHED C=CCOCCCSCc1ccc(F)cc1C#N 359114080 DBIKLAWVPZJNKM-UHFFFAOYSA-N 265.353 3.523 30 20 CHED Cc1ccncc1CCCNc1cccc(CC#N)c1 449697228 LCJGKTNFDMFZDB-UHFFFAOYSA-N 265.360 3.501 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(Cc3ccccc3)CCC2)C1 442831727 WWCGSQYOGYALBC-SJORKVTESA-N 268.404 3.681 30 20 CHED N#Cc1nnc2ccccc2c1SC1CCCCC1 266144704 ILFFLFDFJJAHFT-UHFFFAOYSA-N 269.373 3.926 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1(c2ccccc2)CC1 539472414 JVQNGPBHLVWOFX-CQSZACIVSA-N 272.392 3.720 30 20 CHED C=CCC(CC=C)c1nc([C@H]2COc3ccccc3O2)no1 445469877 IBUSNZMPGLAZGC-OAHLLOKOSA-N 298.342 3.818 30 20 CHED CC(C)(C#N)c1ccc(CN2CC[C@@H]3CCC[C@@H]32)cc1 614600425 IRNLJINEDLLKPU-RDJZCZTQSA-N 268.404 3.862 30 20 CHED CC[C@@H](NCc1ccnc(C#N)c1)c1cccc(Cl)c1 611378469 VMIVEXXIQMXNSA-MRXNPFEDSA-N 285.778 3.848 30 20 CHED C=CCC1(NC(=O)c2cncc3ccccc23)CCCC1 619104965 ZHHIPLOOWLOIKP-UHFFFAOYSA-N 280.371 3.854 30 20 CHED C[C@@H](c1cccc(Cl)c1)N1CCC(F)(C#N)CC1 352448568 HXNRDFRVOXDXAM-NSHDSACASA-N 266.747 3.729 30 20 CHED CC(C)N(Cc1cccc(C#N)c1F)CC1CCC1 444769990 BNDNNANYDIJXIJ-UHFFFAOYSA-N 260.356 3.708 30 20 CHED C=C(CNC(=O)N[C@@H](C)CCC1CC1)c1ccccc1 355220461 TVWBALWVSJILIQ-AWEZNQCLSA-N 272.392 3.578 30 20 CHED CCC[C@H]1CCc2ccccc2N1CC1(C#N)CC1 538348935 HZKNQICQSOJWSA-HNNXBMFYSA-N 254.377 3.912 30 20 CHED C=C(C)CSCC(=O)N[C@H](c1ccc(F)cc1)C(C)C 447030408 USBVSVHLTGTEMJ-INIZCTEOSA-N 295.423 3.948 30 20 CHED Cc1cccc(C(=O)NC2(c3cccc(C#N)c3)CC2)c1C 269603534 IVUOTCGEQSUZEM-UHFFFAOYSA-N 290.366 3.594 30 20 CHED CC1(C)CCC(CNC(=O)CCc2ccc(C#N)cc2)CC1 535464620 UOXSNTMBZNOZJS-UHFFFAOYSA-N 298.430 3.823 30 20 CHED C=CCCCCCN(C)C(=O)C[C@@H](C)n1nc(C)cc1C 351389288 TXRZAIWSMNFAPL-MRXNPFEDSA-N 291.439 3.656 30 20 CHED C=CCC[C@@H](C(=O)NCCc1ccoc1)c1ccccc1 618476934 XTZWINHJVTWNIT-QGZVFWFLSA-N 283.371 3.688 30 20 CHED CC(C)n1cc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cn1 538393696 PSBIVTDTCPERFK-KGLIPLIRSA-N 282.391 3.747 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)COC1CCC(C)CC1 361877453 NQBMNEJEEWWQBZ-UHFFFAOYSA-N 294.439 3.513 30 20 CHED Cc1ccc(Cl)cc1NC(=O)[C@@H](C)ON=C1CCC1 265438529 HOPUAUMCBXPVIX-SNVBAGLBSA-N 280.755 3.532 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2OC)C1 617785905 PILWQDZMWCQORJ-GFCCVEGCSA-N 293.794 3.777 30 20 CHED C=CCC1(NC(=O)c2oc3ccccc3c2C)CCOCC1 618245757 IEUATGNVRIJGCO-UHFFFAOYSA-N 299.370 3.596 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(Cc2ccco2)C(C)C)c1 455981090 GNSBRFNUHWPTAJ-UHFFFAOYSA-N 297.358 3.902 30 20 CHED C=CC(C)(C)CNC(=O)Cc1c[nH]c2cccc(Cl)c12 452786209 WVDLBJGNBZWCDW-UHFFFAOYSA-N 290.794 3.692 30 20 CHED C=CC[C@H](C)Nc1ncnc2ccc(SC)cc12 360902286 YTPNLJNQXIWEQY-JTQLQIEISA-N 259.378 3.728 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 367533638 NDDJWOODKXJETA-QGPMSJSTSA-N 284.403 3.578 30 20 CHED Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3cc(C#N)ccc32)c1 618694385 AQMHATPVJDFPHR-OAHLLOKOSA-N 293.326 3.874 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccccn1 271254888 IGEPVOYWPDCKMT-OAHLLOKOSA-N 279.387 3.926 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 276479478 YOLNVPMWBZVQAE-KBPBESRZSA-N 297.320 3.843 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@]2(CCSC2)C1 456821464 HMXPKSLEBDSMJY-INIZCTEOSA-N 279.449 3.501 30 20 CHED C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(CC#N)CC1 542883550 OHPNHSJWCKEQAA-GFCCVEGCSA-N 275.396 3.659 30 20 CHED CCOCCC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 271924198 FTSHTMBZBCERGU-ZDUSSCGKSA-N 290.382 3.555 30 20 CHED CCCCCCCC(=O)O[C@@H](COC)c1nccs1 278479076 OPFTZSOUXIFSIB-LBPRGKRZSA-N 285.409 3.734 30 20 CHED FCCCN1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F 451840215 PBDNPUQNKBORRT-JGVFFNPUSA-N 281.215 3.551 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)CCc2cccs2)c1 273162565 BVDFWPCCJBIKBR-UHFFFAOYSA-N 284.384 3.501 30 20 CHED CC(C)Cn1cc(N[C@H](C)c2cccc(C#N)c2)cn1 271993835 JDCHRDRFFDCRNY-CYBMUJFWSA-N 268.364 3.584 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2ccncc2)CCCCC1 450057850 PRPLOCGQDSKTFO-HNNXBMFYSA-N 286.419 3.655 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)CCCC#N)CC(C)(C)C1 360471510 BLEONNJKBOUYMR-KGLIPLIRSA-N 264.413 3.649 30 20 CHED CC(C)(C#N)C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 456786470 XHTLXBAODUUURT-HOTGVXAUSA-N 284.403 3.626 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(C#N)cs2)CCCC1(C)C 278198795 DXNDASHLTAVEIL-CQSZACIVSA-N 288.416 3.827 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1ccc(Cl)cc1 272388838 GRXYTQWVSRDHPS-MRXNPFEDSA-N 292.810 3.717 30 20 CHED C=CCC[C@@H](NC[C@H](CO)CC1CCCC1)C1CC1 467450214 NPMKOYGYSVAJQC-NVXWUHKLSA-N 265.441 3.510 30 20 CHED CC#CCCCC(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1 466444061 QJQMDYMLUHQEJQ-HKUYNNGSSA-N 299.414 3.525 30 20 CHED CC(C)(C)c1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 464706125 CAPBOZIHKWKNOK-CQSZACIVSA-N 272.392 3.652 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1ccc(CC#N)cc1)CCC2 270419676 KPTAQFAXDKSWIK-UHFFFAOYSA-N 290.366 3.654 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1ccsc1 274284758 LTDWQMSNWHLIIZ-AWEZNQCLSA-N 261.390 3.605 30 20 CHED CC#CCCCC(=O)N[C@H]1CCC[C@H](C(C)C)CC1 469752441 MMMSFRJJUNKYOR-HOTGVXAUSA-N 263.425 3.901 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 466624654 ALJUHXCQZSMLTC-SNVBAGLBSA-N 280.334 3.571 30 20 CHED CC[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 462126903 PMSMKDPLIYUCFE-GJZGRUSLSA-N 284.403 3.700 30 20 CHED CC#CCCCC(=O)Nc1cccc(OCCCC)c1 464434936 BAOMKDVRPLEHSF-UHFFFAOYSA-N 273.376 3.998 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCCC1(C)C 543236282 FSQWADQPYQDQNV-CHWSQXEVSA-N 252.402 3.609 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1ccc(C#N)cc1 544826726 YDVZWUAPDXKFCW-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCCc2ccccc21 467824964 CMGAUKRXQORJGZ-KRWDZBQOSA-N 283.415 3.991 30 20 CHED C#CC[C@@H](N[C@H](C)c1cc(C)ccn1)c1ccccc1 286047127 KAELXMMTSDAXPD-NVXWUHKLSA-N 264.372 3.805 30 20 CHED C[C@H](CN(C)c1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 463648465 HZCINWPGRKSWAI-CYBMUJFWSA-N 295.342 3.706 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H](c2cccc(F)c2)C1 557015155 FPMXVILQRHPPDO-ZDUSSCGKSA-N 284.309 3.830 30 20 CHED CC(C)c1cc(C(=O)N[C@@H](C#N)C(C)C)c2ccccc2n1 464306779 UIWVXAIGHXWCBQ-KRWDZBQOSA-N 295.386 3.636 30 20 CHED N#Cc1ccc2c(c1)[C@H](Nc1ccc(F)cc1)CC2 554986193 DFOBEFLKHQBZBE-MRXNPFEDSA-N 252.292 3.797 30 20 CHED C=CCC[C@@H](c1ccccc1)N1C(=O)NC2(CCCC2)C1=O 558283526 ZTBQIVCVMYYNSD-HNNXBMFYSA-N 298.386 3.559 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)CC(F)(F)F)c1ccccc1 464275463 YOTJNGJMQFTNER-NWDGAFQWSA-N 285.309 3.803 30 20 CHED Cc1cccnc1[C@H]1CCC[C@H](NCCCCC#N)C1 281206855 KPDHVRLHHWXQBI-HOTGVXAUSA-N 271.408 3.700 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCC34CCCC4)CC2)c1 556598813 AHTVSILVKNSXAX-MRXNPFEDSA-N 266.388 3.860 30 20 CHED C=C[C@H](C)NC(=O)c1oc2ccc(Cl)cc2c1C 465110959 MJFJDCDOIMXOKM-QMMMGPOBSA-N 263.724 3.699 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(Cl)c(C)c1 462453719 HHONBJLMEWEGPC-INIZCTEOSA-N 279.811 3.909 30 20 CHED CC(C)(C#N)CC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 282034112 OIXFTTDGZAAZJE-IAGOWNOFSA-N 294.398 3.773 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(Cl)cc1Cl 288079022 HQWUNEHTICVQAT-GFCCVEGCSA-N 272.131 3.839 30 20 CHED C=CC1CCN(C(=O)N[C@H](c2cccs2)C2CC2)CC1 476404606 DBUPKFJQLUQRHV-HNNXBMFYSA-N 290.432 3.807 30 20 CHED C=C[C@@H](CC(=O)N1CC(c2ccccc2)C1)c1ccccc1 633809508 MUKSEWPOOYBKGJ-INIZCTEOSA-N 291.394 3.972 30 20 CHED N#CCC[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccccc1 295787724 RWHARSZXQGULAC-DLBZAZTESA-N 284.403 3.723 30 20 CHED C[C@H](C#N)OCCN1CCCCC[C@@H]1/C=C/c1ccccc1 801926070 MRCNISOYYVFZLX-FEFOKTNTSA-N 298.430 3.873 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 807740791 XRVFLORJNABFBM-ZDUSSCGKSA-N 283.346 3.960 30 20 CHED CC(C)(NC(=O)CCCC#N)c1cccc(C(F)(F)F)c1 291538651 RXTAYGAIDAKKDG-UHFFFAOYSA-N 298.308 3.751 30 20 CHED FCCC[C@@H]1CCCC1=NN[C@@H]1C[C@H]2CC[C@H]1C2 800815138 MZGBYVMTZFAZOK-PWNZVWSESA-N 252.377 3.670 30 20 CHED C=C(Br)CN[C@H]1CCC[C@@H](c2cccnc2)C1 800231506 BEHDVTLZNRPIFT-OCCSQVGLSA-N 295.224 3.606 30 20 CHED CC(C)C(=NN[C@H]1CCSC1)C1CCCCC1 808002837 PJHQHHDFWWORLW-ZDUSSCGKSA-N 254.443 3.674 30 20 CHED N#CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 563828345 SPRGJGDQEABOOH-GVDBMIGSSA-N 288.435 3.745 30 20 CHED Cc1ccc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)cc1 806561343 UOQNGBDHIRLNPS-IDKBZEPQSA-N 292.334 3.833 30 20 CHED C=C(Cl)CNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 805131443 JEODNVCZVTYHDU-FZMZJTMJSA-N 278.783 3.532 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 294460018 SAWLFYXQGDRTTL-SJORKVTESA-N 284.403 3.733 30 20 CHED CC#CC(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 801146085 MHKBLMYVQWMJNV-UHFFFAOYSA-N 283.415 3.545 30 20 CHED C[C@@H](NCCc1ccc(F)cc1F)c1cccc(C#N)c1 566579224 MGMVIFYRBBZOAM-GFCCVEGCSA-N 286.325 3.730 30 20 CHED N#CC1(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)CCCC1 295951026 IANPWWRLCLPKHL-SJORKVTESA-N 296.414 3.770 30 20 CHED N#CC1(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)CCCC1 295951023 IANPWWRLCLPKHL-IRXDYDNUSA-N 296.414 3.770 30 20 CHED CC(C)(C)CCC(=NOC1CCOCC1)c1cscn1 807985736 MIAZUKBVLUAQGM-UHFFFAOYSA-N 296.436 3.869 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)c1C#N 562478768 OLLUNVGHBBIBND-MWLCHTKSSA-N 277.393 3.628 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1SCCc2ccccc21 489943651 USTOGJIKTMSOCK-HNNXBMFYSA-N 289.444 3.736 30 20 CHED N#CCC1(OC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CCC1 810854278 RIBYUGVDBCBAOC-QFBILLFUSA-N 295.382 3.660 30 20 CHED C=CCCCCOC(=O)c1ccnn1C1CCCC1 811011582 DOEDIBGPPSHYQG-UHFFFAOYSA-N 262.353 3.511 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@H](C2CC2)C1 487113822 XSZOWMCWGHZJFC-GFCCVEGCSA-N 297.789 3.996 30 20 CHED C=CCC(C)(C)CNCc1c[nH]nc1-c1cccc(OC)c1 645186258 GPJDTSJJCPNOPL-UHFFFAOYSA-N 299.418 3.777 30 20 CHED COc1cc(Cl)ccc1C(C)=NO[C@@H]1CCCCO1 817326001 JMKTZDNARNOJGP-CQSZACIVSA-N 283.755 3.616 30 20 CHED COCCC(C)=NNc1cc(Cl)ccc1Cl 814862856 SFMHLXMWXKBXAB-UHFFFAOYSA-N 261.152 3.818 30 20 CHED C[C@H](COCc1ccccc1)COc1ccccc1C#N 719610367 LZSGLCFBYPYLEQ-OAHLLOKOSA-N 281.355 3.790 30 20 CHED c1ccc(CON=C2CC[C@@H]3CNc4cccc2c43)cc1 814792693 VWLROVKCAQLSMR-CQSZACIVSA-N 278.355 3.910 30 20 CHED CC[C@H](C=NNc1cccc(OC)n1)c1ccccc1 814900129 FMOYPGIHVRWBEB-CYBMUJFWSA-N 269.348 3.682 30 20 CHED Cc1sccc1C=NNc1cc(F)cc(F)c1 814813681 VDCJGWWIYDALMF-UHFFFAOYSA-N 252.289 3.781 30 20 CHED Cc1cc(C)c(C(=O)O)cc1C=NN[C@H]1CCCC1(C)C 814917778 RAIIKUJWXPSWQE-HNNXBMFYSA-N 288.391 3.504 30 20 CHED C=CCC(F)(F)C(=O)NC[C@H]1CCCCC(F)(F)C1 816789397 NRBRDBLVYIYHES-JTQLQIEISA-N 281.293 3.530 30 20 CHED C1=C([C@H]2CCCCC2=NN[C@H]2CCCOC2)CCCC1 814908212 KNJKEXUTQJUVON-JKSUJKDBSA-N 276.424 3.802 30 20 CHED Fc1cccc(F)c1NN=C1COc2ccc(Cl)cc21 814853006 XOUGGEIZKJIBGS-UHFFFAOYSA-N 294.688 3.827 30 20 CHED c1cnc(C(CC2CCCCC2)=NOCCC2CC2)nc1 814245970 PXQPMAQSTQBOSB-UHFFFAOYSA-N 287.407 3.968 30 20 CHED CC(C)OCCON=C1CC(c2cc(F)cc(F)c2)C1 814936699 GHLOGVYRUAOTKM-UHFFFAOYSA-N 283.318 3.640 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ncccc2Cl)cc1 814648056 JFNZRDQYYCARFK-UHFFFAOYSA-N 299.761 3.604 30 20 CHED CC(C)(C)OC(=O)N[C@@H]1CCCCCC1=NOC1CCC1 812236978 CXBKQVCCUYUFJK-CYBMUJFWSA-N 296.411 3.769 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](CC)c1ccccc1OCC 815225804 DTWKNCWERPPNIV-CYBMUJFWSA-N 297.345 3.864 30 20 CHED N#Cc1c(F)cccc1/C=C1\CCc2cc(O)ccc2C1=O 811690245 YCCXNXUKMKPZQA-MDWZMJQESA-N 293.297 3.615 30 20 CHED N#Cc1cnccc1Oc1cc(C=O)cc(C(F)(F)F)c1 811860983 QTBGMLDALHDOSV-UHFFFAOYSA-N 292.216 3.577 30 20 CHED COc1ccc([C@H](CCC#N)N[C@@H]2CCC[C@@H](F)C2)cc1 573801844 POBFANHGINJZGR-INMHGKMJSA-N 290.382 3.910 30 20 CHED C=CCCCSCC(=O)N(CC)C1CCCCC1 574313650 OQYYIIAVAVUDTJ-UHFFFAOYSA-N 269.454 3.867 30 20 CHED N#Cc1ccccc1COC(=O)C1CCCCCC1 726212594 VVOXVQJHAGZOEX-UHFFFAOYSA-N 257.333 3.572 30 20 CHED COc1cc(C#N)cc(OCc2cc3ccccc3o2)c1 486089085 OAJDBSYMUOGQQW-UHFFFAOYSA-N 279.295 3.892 30 20 CHED C=CCC[C@@H](C)OC(=O)Cc1nsc2ccccc12 820481595 QNGVGUGMLUHUIV-LLVKDONJSA-N 275.373 3.737 30 20 CHED C[C@@]1(CCOC(=O)c2cccc(CC#N)c2)C[C@@]1(F)Cl 822071807 XGWSUJSOLGOHFP-CABCVRRESA-N 295.741 3.614 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(OC(C)C)c(C)c1)C(C)C 821559220 BKHADQUMTYMWEB-OAHLLOKOSA-N 288.391 3.562 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cccc(C)c1C 491072366 RPXWKPFXOSJIIU-UHFFFAOYSA-N 292.382 3.971 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(Cl)n1 823618996 WFJCRFCJOAIDLB-GFCCVEGCSA-N 285.778 3.800 30 20 CHED C=C(CC)Cn1nc(C(F)(F)F)c(Cl)c1C 664039793 ZGFISVRHQPUOCK-UHFFFAOYSA-N 252.667 3.830 30 20 CHED C[C@@H](N=c1cc[nH]c(C#N)c1)c1ccc(F)c2ccccc12 571715911 VVAHMVLMBOKKKG-GFCCVEGCSA-N 291.329 3.841 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cn1 728805807 SOXUJXTZVHEWFL-SFHVURJKSA-N 292.382 3.580 30 20 CHED C=CC[C@H](C(=O)N1CCCC[C@H](C)C1)c1ccccc1 490201795 MMJVMSZGXFEBEU-RDJZCZTQSA-N 271.404 3.995 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(F)cc(F)c1 495126830 JBVMDQTXXFQWTE-UHFFFAOYSA-N 277.314 3.789 30 20 CHED C#CCCOC(=O)CC(c1ccccc1)c1ccccc1 727041365 NCASYDJXCBNKCU-UHFFFAOYSA-N 278.351 3.775 30 20 CHED CCCCCCCCNC(=O)C1(C)CC(F)(F)C1 821305933 DFLBAXQEUZYBKK-UHFFFAOYSA-N 261.356 3.899 30 20 CHED C=CC1CCN(c2nccnc2-c2ccccc2)CC1 663586792 UQHWALUGPRITDV-UHFFFAOYSA-N 265.360 3.546 30 20 CHED CCSCc1ccnc(NC(=O)CCCCCC#N)c1 588660056 BEOIRKBZZLZWGU-UHFFFAOYSA-N 291.420 3.747 30 20 CHED Cc1ccc(C)c(N(C)CCOc2ccccc2C#N)c1 497470061 FILHGICDTCQXEQ-UHFFFAOYSA-N 280.371 3.690 30 20 CHED CNc1ccccc1CN[C@H](CCC#N)c1ccccc1 902405877 PZYCVMJMWRFCEE-GOSISDBHSA-N 279.387 3.863 30 20 CHED CCO[C@H](c1noc(/C=C/c2ccccc2C#N)n1)C(C)C 904114901 FYFGKRYXMJJBCY-SCOAYWHSSA-N 297.358 3.845 30 20 CHED C#CCOc1ccccc1CNC/C=C\c1ccccc1 732986511 DAIFEDNUYNKMNP-FLIBITNWSA-N 277.367 3.502 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H](C)CC#N 588477679 NFROJAZPIAZKKG-HSTULFTRSA-N 297.185 3.815 30 20 CHED N#CCCCCCC(=O)O[C@H](C(=O)C1CC1)c1ccccc1 820665643 XJQLKWXLTAEHLG-SFHVURJKSA-N 299.370 3.724 30 20 CHED C=CCCC(C)(C)NCc1ccnc2c(C(=O)O)cccc12 902455954 FMIVKXOLEZLEBG-UHFFFAOYSA-N 298.386 3.767 30 20 CHED N#CC1(CN[C@@H]2CCSc3ccc(F)cc32)CCC1 903032077 PKWMGKFYWWPTOJ-CYBMUJFWSA-N 276.380 3.646 30 20 CHED CC(C)N(CC(=O)Nc1cccc(C#N)c1)C1CCCCC1 491195051 GWFDEYBNHFNPFI-UHFFFAOYSA-N 299.418 3.540 30 20 CHED N#CCCCCCC(=O)NCc1cccc(C(F)(F)F)c1 588147297 QBRFQCPGJMNOMQ-UHFFFAOYSA-N 298.308 3.796 30 20 CHED Clc1cccc2c1CCC2=NNc1nccnc1Cl 733079546 MKTSXUVAIOEXMM-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CCC[C@@H]1CC)c1ccccn1 835134066 RCUBWWCSCCNLNT-DZKIICNBSA-N 271.360 3.516 30 20 CHED CC(C)(NCc1ccc(C#N)cn1)c1ccc(Cl)cc1 581079946 KPMFWPOECSKYJB-UHFFFAOYSA-N 285.778 3.632 30 20 CHED CC[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(C#N)c1 902727985 INRDUOULUDQANG-LJQANCHMSA-N 293.414 3.865 30 20 CHED CC1(C)CN(C(=O)c2cc(C#N)ccc2F)CC(C)(C)C1 832282818 BHXVHAZQAWLILV-UHFFFAOYSA-N 288.366 3.596 30 20 CHED C=C(CNC(=O)CCCc1cccs1)c1ccccc1 672480460 CBUUTDRRMCZYBR-UHFFFAOYSA-N 285.412 3.900 30 20 CHED C=C(CNC(=O)[C@H](C)Cc1cccc(F)c1)c1ccccc1 672480948 GYZCMVONASQOTK-CQSZACIVSA-N 297.373 3.834 30 20 CHED C=C(Cl)COC(=O)C1(c2cccc(OC)c2)CCCC1 731261972 YLCXHOVBEDXKIB-UHFFFAOYSA-N 294.778 3.803 30 20 CHED CC1(C)CCC[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 589340598 KRCYOLQRXDKEQJ-HOTGVXAUSA-N 254.377 3.714 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CCC(F)(F)C1)c1ccccc1 677573329 MEJLYKAXDIDCLI-OCCSQVGLSA-N 279.330 3.650 30 20 CHED CC[C@@H](C)[C@H](C=NNc1cc(F)c(F)cc1F)OC 834959015 DEAFYHJOOHZGIN-OQPBUACISA-N 274.286 3.563 30 20 CHED Cc1ccccc1-c1ccccc1C=NNC1CCOCC1 834960762 AZPNBRJZJDJHCO-UHFFFAOYSA-N 294.398 3.765 30 20 CHED CN(C(=O)O)c1ccc(NCC(C)(C)CCC#N)cc1 830518866 JAECACQDPNQMJR-UHFFFAOYSA-N 275.352 3.543 30 20 CHED C[C@H](NN=Cc1c(Cl)oc2ccccc12)C(F)(F)F 835000920 NAWOOAVJMQRRIY-ZETCQYMHSA-N 290.672 3.961 30 20 CHED C=C(CNC(=O)CCO[C@H](C)CC(C)C)c1ccccc1 672481052 ZGOGVJKTNXQZBH-MRXNPFEDSA-N 289.419 3.657 30 20 CHED C[C@@H](CCc1ccccc1)OC(=O)c1cccc(C#N)c1 917960217 OXDQMVKEVPIJGP-AWEZNQCLSA-N 279.339 3.736 30 20 CHED Cc1ccc(NC(=O)C#Cc2ccccc2)c2cccnc12 747352326 HEDFTVGGFVHMOG-UHFFFAOYSA-N 286.334 3.533 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccc(Cl)nc1 748998617 NBVRBSNFXQHBFA-GQCTYLIASA-N 287.746 3.948 30 20 CHED CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(Cl)c1 598603087 RWHFKGQVRFYJKC-GJZGRUSLSA-N 294.826 3.681 30 20 CHED Fc1cc(NN=C/C=C/c2ccco2)cc(F)c1F 747642303 MCBZUBASKYFYOK-WOPLEWHASA-N 266.222 3.808 30 20 CHED C=C(CC)CNCc1cc(Br)cnc1Cl 842712793 SYPWJJLMGVYKLS-UHFFFAOYSA-N 289.604 3.553 30 20 CHED CCC1(NC(=O)N[C@H](C)c2cccc(C#N)c2)CCCC1 590928222 UFJOJYBCKDBPTK-CYBMUJFWSA-N 285.391 3.641 30 20 CHED C[C@@H](C#N)OC(=O)CCn1c2ccccc2c2ccccc21 919300778 VWTCLOXFFPNKLB-ZDUSSCGKSA-N 292.338 3.640 30 20 CHED C=CCCCNc1ccc2c(cnn2C(F)F)c1 676562899 CKHRRZXIYBTFDH-UHFFFAOYSA-N 251.280 3.810 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@@H](c2ccccc2)C1 595297305 QWGJNTFSMYTLGS-MSOLQXFVSA-N 262.356 3.741 30 20 CHED C=C(CNC(=O)c1ccc(OC(C)C)cc1)c1ccccc1 672480670 CJGOTWXYSMSRRY-UHFFFAOYSA-N 295.382 3.917 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)CC1(C#N)CCCCC1 596790912 UEDDYPVBNMIIJK-HUUCEWRRSA-N 276.424 3.936 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1ccc(Cl)nc1)C2=O 749006459 WGDXGVRSLCSYMN-ZSOIEALJSA-N 294.741 3.819 30 20 CHED C=CCCSCCNC(=O)Cc1ccc2ccccc2c1 597974443 MRGUEIJXUAJRSK-UHFFFAOYSA-N 299.439 3.808 30 20 CHED CCC1CCN(C(=O)c2ccccc2SCC#N)CC1 918657437 ACQACJPZKDZLKX-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CCOc1ccc(O)c(/C=N/CC2(OCC)CCCC2)c1 840708051 ZQXBKYFXXNLGPL-LDADJPATSA-N 291.391 3.559 30 20 CHED N#Cc1ccc(CCNC(=O)CCC2CCCCC2)cc1 597896525 GRDLYJRTBPIIJF-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CCC(=NNc1nccnc1Cl)c1cc(F)ccc1F 743440319 IFLZTVJLMZVPKW-UHFFFAOYSA-N 296.708 3.634 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1c1ccc(C#N)cn1 596318477 WGGRCZWGBNUQTG-MRXNPFEDSA-N 277.371 3.912 30 20 CHED Clc1ccc2c(NN=Cc3cscn3)ccnc2c1 918707462 GTIOYFPTHPSDAH-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C#C[C@@H](OC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C)c1ccccc1 842391131 ITLKEYNGJTYPIG-UKPHBRMFSA-N 298.382 3.546 30 20 CHED C=CCCN(C)Cc1c(Cl)cccc1OC(F)F 682436268 CDHIRPXCUZNYAL-UHFFFAOYSA-N 275.726 3.949 30 20 CHED CO[C@H](C#N)c1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 844226670 IRNGOTBHOKRPSS-KZULUSFZSA-N 279.339 3.888 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCc2cc(OC)ccc2C1 680333420 AFJGTBIWLMIFMO-ZQIUZPCESA-N 273.420 3.743 30 20 CHED CCN(Cc1c(O)ccc2ccc(OC)cc12)C[C@@H](C)C#N 747327681 WEQRHSZCUMPFRF-ZDUSSCGKSA-N 298.386 3.536 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccncc2)c1 743478374 ZWPTWFDRYONLOL-YOEHRIQHSA-N 295.386 3.613 30 20 CHED CC1(C)CCC[C@H](CNC(=O)CCCCCC#N)C1 590886337 PSPAQJYWLUEJLV-AWEZNQCLSA-N 264.413 3.793 30 20 CHED C=CCCCC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 844859953 ACRTYKNJRKJFAB-CQSZACIVSA-N 291.366 3.900 30 20 CHED CCC(=NNc1cccc(Cl)c1F)[C@@H]1CCOC1 741839162 AJTUZRILFNABCR-SECBINFHSA-N 270.735 3.694 30 20 CHED CCCCCCCCC(=O)Nc1cc(C)nn1CCC#N 743870029 BCDRIYRMCJYUQE-UHFFFAOYSA-N 290.411 3.794 30 20 CHED CCOc1cccc(C(C)=NNc2ccc(C(=O)O)cc2)c1 743525611 ILMPSZXOXQIVIY-UHFFFAOYSA-N 298.342 3.620 30 20 CHED CCCNc1ccc(C#N)cc1NCc1conc1CC 848662882 KQJGIALWEKZSHI-UHFFFAOYSA-N 284.363 3.543 30 20 CHED CN(C(=O)/C=C\C1CCCCC1)c1ccccc1C#N 752820351 XPWFMOPDXRWBMN-QXMHVHEDSA-N 268.360 3.658 30 20 CHED Fc1ccc(/C=C\C=NNc2nccnc2Cl)c(F)c1 758123657 PHYJMIHSNCNVNN-CENFTQODSA-N 294.692 3.519 30 20 CHED N#CCOc1ccc(CN2CCc3c(Cl)cccc32)cc1 756915648 ZXXUOIZBIVFJCP-UHFFFAOYSA-N 298.773 3.805 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC12CCC2 684235038 LRSCDVJEMZZVAG-INIZCTEOSA-N 269.388 3.782 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1F)c1cc(O)ccc1O 753718290 VVUVBEDVZTVKPP-ORCRQEGFSA-N 292.693 3.786 30 20 CHED C#C[C@](C)(CC)NC(=O)c1sc2ccc(C#N)cc2c1C 854704283 OULFOJMLHBBZBX-QGZVFWFLSA-N 296.395 3.613 30 20 CHED Cc1cccc(CN(C)CCCCC2(C#N)CCC2)n1 929993293 IULUFYZAWYZBJI-UHFFFAOYSA-N 271.408 3.686 30 20 CHED C#CCCOc1ccc(C=NNc2cccc(C)c2)cc1 920357217 STQMZDMWGMDVSD-UHFFFAOYSA-N 278.355 3.843 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cnc2ccccc2c1 851204551 BKWUQVFXSBAMBY-GFCCVEGCSA-N 282.343 3.720 30 20 CHED CCCC[C@@](C)(F)C(=O)[C@@H](C#N)c1nc2ccccc2o1 850781925 GMHGYGGWHZKARZ-BDJLRTHQSA-N 288.322 3.922 30 20 CHED C#CCCCCNC(=O)Nc1ccc2ccn(CCC)c2c1 758607368 RAPHEYYNAYMUGS-UHFFFAOYSA-N 297.402 3.976 30 20 CHED CCOc1ccc(Sc2cccc(C#N)n2)cc1 755907045 WLRBWKNZTHEEHF-UHFFFAOYSA-N 256.330 3.503 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNc1ncc(Cl)cn1 857223682 XIKJNOQPECEWMT-SECBINFHSA-N 266.776 3.744 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@](C)(CC)c1ccccc1)OCC 755884141 SDGUVEGXNHZGJO-SJLPKXTDSA-N 289.419 3.799 30 20 CHED CC(C)[C@H](O)C(C)(C)CNc1nc2ccccc2cc1C#N 754070776 RKHLADGUAPLFJH-INIZCTEOSA-N 297.402 3.561 30 20 CHED C=C(C)[C@H](C)OC(=O)c1cccc(Nc2ccc(C)nn2)c1 756013037 GPLYNLXWLUNEBQ-ZDUSSCGKSA-N 297.358 3.650 30 20 CHED CC(C)C#CC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 855381439 ZZARYJQAAMQPNL-UHFFFAOYSA-N 296.197 3.538 30 20 CHED C[C@@H](CCC#N)N[C@H]1CC2(CCC2)Oc2ccccc21 932214896 SCFYLLSGLNBQCQ-ZFWWWQNUSA-N 270.376 3.715 30 20 CHED Fc1ccc(NN=CC2CCSCC2)c(F)c1 853256106 MVIIUEQWVUQZES-UHFFFAOYSA-N 256.321 3.506 30 20 CHED CC(C)CC[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 930205872 OYXMVJVFLVQKHF-HZPDHXFCSA-N 294.826 3.681 30 20 CHED CCCc1occc1C(=O)O[C@@H](C)CC(C)(C)C#N 851204358 PLANYUQRDLZYFO-NSHDSACASA-N 263.337 3.717 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@](C)(C#N)C(C)C 931295094 YYWHOULHKUVKPK-INIZCTEOSA-N 276.380 3.554 30 20 CHED C=C(CC)COC(=O)c1cccc(Br)c1F 759149343 XENSQPUWBFIRNB-UHFFFAOYSA-N 287.128 3.711 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 751160494 HFFCUHROXBYJBK-QGZVFWFLSA-N 296.370 3.752 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 935434974 VCUPQUQSPHSMNL-QWHCGFSZSA-N 293.357 3.883 30 20 CHED CCC(=NNc1cccc(C#N)c1)c1ccc(F)cc1 767336485 NYBBFDRYQMDARN-UHFFFAOYSA-N 267.307 3.924 30 20 CHED C#CCOc1ccccc1CN[C@@H](c1ccccn1)C(C)C 866296417 BTMCMVWPACOPKR-LJQANCHMSA-N 294.398 3.581 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c[nH]nc1-c1ccccc1 934985616 LBCHAAPTZHUTGY-GFCCVEGCSA-N 269.348 3.618 30 20 CHED CCCOc1ccc(NC(=O)N(CC)CCC#N)cc1C 861627374 JTTRWPNKLKPNSH-UHFFFAOYSA-N 289.379 3.551 30 20 CHED O=C1/C(=C\c2cnc3ccccn23)Cc2ccc(Cl)cc21 762447373 PODINQIZWIAPOD-WQLSENKSSA-N 294.741 3.810 30 20 CHED C[C@@H](CCc1ccccc1F)NCc1ccc(C#N)cc1 765015961 SXIXWSUBEYVMDA-AWEZNQCLSA-N 282.362 3.808 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1Cl)c1cnccn1 761475017 BBSXLKDELCVPAR-RQOWECAXSA-N 297.116 3.819 30 20 CHED CC(=NNc1ncc(F)cn1)C12CC3CC(CC(C3)C1)C2 760253687 FJOINYOSMMTZRO-UHFFFAOYSA-N 288.370 3.620 30 20 CHED Cc1cc(OC(=O)c2cc(F)c(F)c(F)c2)ccc1C#N 765112733 HBULGKNZJAJIHV-UHFFFAOYSA-N 291.228 3.503 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 767258021 SBYMHJBBOFZDTG-TVYUQYBPSA-N 296.197 3.577 30 20 CHED Cc1ccnc(NN=C2CCc3ccc(Cl)cc32)c1 762449519 OKOIMNLTCDVEQL-UHFFFAOYSA-N 271.751 3.806 30 20 CHED CC(C)CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 131766921 UZWVHUPRQWPSAC-LLVKDONJSA-N 261.325 3.703 30 20 CHED C=C(CC)COC(=O)/C=C\c1cnc(C(C)(C)C)s1 773519236 IIQKRPQFXATVNP-FPLPWBNLSA-N 279.405 3.963 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H](O)c1ccc2ccccc2c1 878788844 UIQSOUPNUOEGCS-KRWDZBQOSA-N 297.398 3.592 30 20 CHED COC(=O)c1ccccc1NN=C(C)c1cc(C)oc1C 776187105 IGHNLGLQPPZGOI-UHFFFAOYSA-N 286.331 3.519 30 20 CHED CCCc1nc(COC(=O)CC#Cc2ccccc2)cs1 1116276095 ZEDZRSPSEQQWJB-UHFFFAOYSA-N 299.395 3.581 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1cccc2c1OCO2 876497857 GTKOCRZPSZHLIH-VOTSOKGWSA-N 299.351 3.645 30 20 CHED Cc1cc(NC[C@H](C)CCC#N)cnc1Br 877196074 SRKKTYPNOIPQEQ-SECBINFHSA-N 282.185 3.504 30 20 CHED C#CC[C@@H](NC[C@@H]1CCOc2ccccc21)c1ccccc1 776252200 JTGOENKIVUAOBR-PKOBYXMFSA-N 291.394 3.907 30 20 CHED COC(=O)c1ccccc1NN=Cc1coc2ccccc12 776189289 FJNXVXSFXXPUOX-UHFFFAOYSA-N 294.310 3.665 30 20 CHED CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1/N=C\c1ccccc1O 770569201 RTKUULUYYNTXFS-ZONGYNJKSA-N 275.392 3.651 30 20 CHED Clc1ccnc(NN=C2CSCc3ccccc32)c1 777913755 QVWBXDWDACPBQV-UHFFFAOYSA-N 289.791 3.798 30 20 CHED C=CC(C)(C)CC(=O)OCc1nccn1Cc1ccccc1 884651550 RIAWOXZPKOCKQX-UHFFFAOYSA-N 298.386 3.577 30 20 CHED CCCC1CCC(NC(=O)c2ccc(F)c(C#N)c2)CC1 1125374730 NDUWILXZFKAKAK-UHFFFAOYSA-N 288.366 3.786 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1sccc1O 773148814 IAVDKHKDNYCNCU-SNAWJCMRSA-N 274.341 3.667 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1OC(F)F 887630332 KCASDMWVZNKDFU-UHFFFAOYSA-N 269.291 3.829 30 20 CHED Cc1cc(CNc2nn(C(C)C)cc2Cl)ccc1C#N 886366983 DQJJUZZIHZCXIW-UHFFFAOYSA-N 288.782 3.910 30 20 CHED CCOc1ccc(/C=N/C[C@H](SC)C(C)(C)C)c(O)c1 783681387 FJBWJFLEBCSSKM-ADFUCPMPSA-N 295.448 3.988 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1O[C@H](C)C#N 785916711 IBCZDSBTCWLPLL-ZIAGYGMSSA-N 299.374 3.550 30 20 CHED CC1(C)CC[C@@H](C(=O)O[C@@H](C#N)C2CCCCC2)C1 781698933 SVPCJBRAVMFWGP-KGLIPLIRSA-N 263.381 3.828 30 20 CHED CC(C)c1cc(NC(=O)CCCCCC#N)ccc1O 882654400 UJIKGHXZIWQPJV-UHFFFAOYSA-N 274.364 3.928 30 20 CHED N#CC1(C(=O)OCc2sccc2Cl)CCCCC1 785914007 BDWZDJPQTQNSIL-UHFFFAOYSA-N 283.780 3.919 30 20 CHED COc1ccc2[nH]c3c(c2c1)CC(=NNC1CCCC1)CC3 782226319 YOVNJEYAFPRGPH-UHFFFAOYSA-N 297.402 3.553 30 20 CHED CC1CC(C#N)(C(=O)O[C@@H](C)c2cccc(Cl)c2)C1 784203054 TUQBGULASHAOKQ-VTWZXRTESA-N 277.751 3.884 30 20 CHED C[C@H](CC(=O)O[C@@H](C#N)C1CC1)c1c[nH]c2ccccc12 786434816 BNPAKXCCAAYMPL-BZNIZROVSA-N 282.343 3.507 30 20 CHED CC[C@H](C)C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 891934778 BMUNRLYUMQGUQH-AWEZNQCLSA-N 293.370 3.533 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cnn(CC3CCC3)c2)co1 899372402 ULZLCFRDEGEPER-SREVYHEPSA-N 299.374 3.691 30 20 CHED CC(CCc1cccc(C)c1)=NN[C@@H](CO)c1ccccc1 788469235 PSXDJDAJMXFNKD-IBGZPJMESA-N 296.414 3.627 30 20 CHED CCCCOc1ccc(/C=C\C(=O)c2cc(C)nn2C)cc1 789160108 SFUOLCGYHFEPAX-FLIBITNWSA-N 298.386 3.804 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1ccc(SC)cc1 785766367 BNVFIFDXGJQSOW-MRXNPFEDSA-N 292.400 3.737 30 20 CHED C[C@@H](CNc1cccc(OCC#N)c1)c1ccc(F)cc1 783659051 FXEDSMGXCSQHFP-ZDUSSCGKSA-N 284.334 3.944 30 20 CHED N#CC1(COC(=O)Cc2ccc3c(c2)CCCC3)CCCC1 780534854 XXNBJMIFJVCLFY-UHFFFAOYSA-N 297.398 3.735 30 20 CHED Cc1cc(COC(=O)CC(C)(C)C#N)c2ccccc2n1 785096526 SEDDHTQEGPUFSF-UHFFFAOYSA-N 282.343 3.526 30 20 CHED CC(=O)c1cc(C(=O)O[C@H](C#N)C2CCCCC2)ccc1C 789138960 RQUYFIAYEZLTBQ-QGZVFWFLSA-N 299.370 3.827 30 20 CHED CC(=NOCC(C)C)c1ccc([N+](=O)[O-])cc1Cl 782228123 WEQZJEBOGSWEHS-UHFFFAOYSA-N 270.716 3.645 30 20 CHED C#CCCCN[C@H]1CCc2cc(Br)cc(C)c21 786827555 DOWMPBXYEHLICB-AWEZNQCLSA-N 292.220 3.748 30 20 CHED C=C(C)CCOC(=O)Cc1cccc2ccc(OC)cc12 780393409 ZHKCCTPJRXWURL-UHFFFAOYSA-N 284.355 3.900 30 20 CHED C=C[C@H](CC(=O)O[C@@H](C)c1cc(C)on1)c1ccccc1 798204650 OCHZJDVUMUJTBN-UONOGXRCSA-N 285.343 3.947 30 20 CHED COc1ccc(OC(=O)C[C@H](CC#N)c2ccccc2)cc1 796510653 KOQAGCDRYMTHTK-HNNXBMFYSA-N 295.338 3.688 30 20 CHED C#C[C@H](CCC)NC(=O)CCc1ccc(Cl)c(Cl)c1 791197334 IIQVLCJTIKLIPG-GFCCVEGCSA-N 298.213 3.844 30 20 CHED C=C(C)CN(CC)CC(=O)Nc1cccc(C(C)C)c1 302917800 SAJMFYCZUBPZOU-UHFFFAOYSA-N 274.408 3.647 30 20 CHED Cc1ccccc1S(=O)(=O)CCCCC1(C#N)CCC1 899470758 QNDIZVKQAMISEF-UHFFFAOYSA-N 291.416 3.633 30 20 CHED C=CCCCCNCc1cc(Br)cs1 389372764 YTFMSUJXGJBFQZ-UHFFFAOYSA-N 274.227 3.957 30 20 CHED CC[C@@H](C)NN=Cc1ccc(-n2cnc3ccccc32)cc1 790181818 GFDNVVRKNSDQDF-CQSZACIVSA-N 292.386 3.748 30 20 CHED C=CCC[C@@H](NC[C@H](C)N1CCCCC1)c1ccco1 796703160 SNYMBTHEZUTSII-JKSUJKDBSA-N 276.424 3.751 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)c(C#N)c1 799339413 OJZLQWADZCMAQE-DYVFJYSZSA-N 284.403 3.908 30 20 CHED CC[C@@H](C)NN=Cc1c[nH]c2cccc(Br)c12 790183353 QRCIPWNVKRZOOT-SECBINFHSA-N 294.196 3.652 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1ccc(-n2ccnc2)cc1 793111300 FRCGJIIWICFVSL-CQSZACIVSA-N 284.407 3.621 30 20 CHED CCCCCCCCCCN1CCCN(C(C)=O)CC1 740873505 GVRLSVYVEZONAK-UHFFFAOYSA-N 282.472 3.681 30 20 CHED CC[C@H](C)CON=C(C)C[C@@H](C)NC(=O)OC(C)(C)C 793157545 CCFGIAAWNOXDTJ-NWDGAFQWSA-N 286.416 3.728 30 20 CHED CCC1(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797570585 IDOHYMKDVUYPOW-JTQLQIEISA-N 276.405 3.807 30 20 CHED Oc1ccccc1/C=N\C[C@H]1CCC2(CCCCC2)O1 790100371 RYHMPVTVEIJJFI-PWDRBQJJSA-N 273.376 3.693 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ncc(C(C)C)s1 790975978 VKVBMIQQTQSJBS-AWEZNQCLSA-N 267.394 3.912 30 20 CHED CCCCCCCCCN1CCN([C@@H](C#N)C(C)C)CC1 792264754 CKKONWYVGQGQSW-SFHVURJKSA-N 293.499 3.903 30 20 CHED CCCCCCCCCNC(=O)c1[nH]ccc1C 797822773 ZUKLCWGHFWBNQZ-UHFFFAOYSA-N 250.386 3.804 30 20 CHED N#CCCCSCc1ccccc1Br 194231856 BKLLYYXOWWQTTR-UHFFFAOYSA-N 270.195 3.986 30 20 CHED CC(C)(C)c1ncc(C=NNc2cccc(Cl)n2)s1 793163070 XIPKHLIZPWQKKG-UHFFFAOYSA-N 294.811 3.935 30 20 CHED C#C[C@@H](NC(=O)CCc1ccc2ccccc2c1)C(C)C 799046776 PPELYBPUBUAHDV-GOSISDBHSA-N 279.383 3.546 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccnc(Cl)c1 798370174 FMUIJWHTDXQHPV-SNAWJCMRSA-N 289.766 3.717 30 20 CHED CC(C)(C#N)CCSCC1CCC2(CC1)OCCO2 792652907 FLBNVGOFMYLVPQ-UHFFFAOYSA-N 283.437 3.593 30 20 CHED CCCCOC(=O)CN=C(c1ccccc1)c1ccccc1 198563614 ABUFVGLTCUJIHD-UHFFFAOYSA-N 295.382 3.867 30 20 CHED C=CCC1(NCc2csc(C3CC3)n2)CCCC1 657702709 OJCPZHOTFFLVJS-UHFFFAOYSA-N 262.422 3.999 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2Cl)CC1 570048530 YIQBPMSYKUAHFU-UMSPYCQHSA-N 276.767 3.976 30 20 CHED Cc1ccc(CNc2ccc(CC#N)cc2)c(F)c1 686503933 IZQIHMFKLQLZLH-UHFFFAOYSA-N 254.308 3.812 30 20 CHED COc1ccc(Nc2snc(C)c2C#N)cc1SC 1215930674 FSIHVLGWSIXZFQ-UHFFFAOYSA-N 291.401 3.797 30 20 CHED C#CCN(Cc1cnc(C2CC2)s1)C1CCCCC1 769146434 YNJRUOQJKIGSEP-UHFFFAOYSA-N 274.433 3.788 30 20 CHED Cc1cc(=NCCc2cc3ccccc3s2)c(C#N)c[nH]1 1163383965 PXEWQKJJDLCHQJ-UHFFFAOYSA-N 293.395 3.553 30 20 CHED C=C(Br)CNc1cnc2cc(Cl)ccc2n1 1306947668 SNXAENHVOWHCNB-UHFFFAOYSA-N 298.571 3.604 30 20 CHED CCO[C@H]1C[C@@H](Nc2cccc(CC#N)n2)C1(CC)CC 1325710959 ZIRFMGNTKKHYQN-CABCVRRESA-N 287.407 3.543 30 20 CHED CC(C)(C)ON=C(C[C@@H]1CCCO1)c1ccc(F)cc1 1323948207 GJLKPTVKTPXRBY-AWEZNQCLSA-N 279.355 3.914 30 20 CHED CCC(CC)(CNc1cc(C#N)cnn1)c1ccc(F)cc1 1187123036 DKMOEIJLYFFPLC-UHFFFAOYSA-N 298.365 3.657 30 20 CHED C=C(C)CCC(=O)N[C@H](CCC#N)c1ccccc1 1336404488 FLVYRNDEMZEORJ-OAHLLOKOSA-N 256.349 3.504 30 20 CHED C#CCCCCCCNCCCc1nc(C)cs1 1331713432 ZOVIDYCWYDWZQP-UHFFFAOYSA-N 264.438 3.557 30 20 CHED Cc1nc(N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)ccc1C#N 1186747545 JOCCRJSSXIBWMH-LSDHHAIUSA-N 271.408 3.913 30 20 CHED CC(C)c1nc(C=NOCCC(F)(F)F)cs1 1338402838 OMZWGDDJLKYATE-UHFFFAOYSA-N 266.288 3.569 30 20 CHED CC(C)CCC(=O)N(c1ccccc1C#N)C1CCC1 1332589183 RZGBLGALLPKJOK-UHFFFAOYSA-N 270.376 3.880 30 20 CHED CCCCCC[C@@H](C)C(=O)[C@@H](C#N)c1ncc(Cl)n1C 1263616423 WHEOYFZHKOXAOZ-VXGBXAGGSA-N 295.814 3.856 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)O[C@@H]1CC[C@@H](C#N)C1 1344489692 OJULTQHZIDQIDH-DMDPSCGWSA-N 293.363 3.542 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NN[C@H](C)c1ccncc1 1261439674 SFSVFMIOMIOGRV-CHWSQXEVSA-N 295.386 3.658 30 20 CHED CC[C@@H]1CCC[C@H]1c1nnc(COc2ccccc2C#N)o1 1261573646 ZZSDDZLCWPIKSB-TZMCWYRMSA-N 297.358 3.814 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 1351349362 TTZLJGWDBAREJL-GXFFZTMASA-N 276.767 3.976 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)[C@@H](CC#N)c1ccccc1 1435281445 XTAQVHBWEBYXIR-DZKIICNBSA-N 272.392 3.625 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1F 106409976 FKYGNXCKABSCLQ-CYBMUJFWSA-N 268.335 3.857 30 20 CHED CCc1ccc([C@H](C)C(=O)[C@@H](C#N)c2cccc(F)n2)cc1 1524703890 HDKVMFAHGHPOEV-WFASDCNBSA-N 296.345 3.763 30 20 CHED CC1(C)CN(c2cccc(F)c2C#N)Cc2ccccc21 1458300672 HEZJKHSGCQHQEU-UHFFFAOYSA-N 280.346 3.995 30 20 CHED CCCC[C@@H](Sc1cccc(Cl)c1C#N)C(=O)O 1605249937 IMHHDNSFIBKULW-GFCCVEGCSA-N 283.780 3.947 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1ccc(Cl)cc1 1602230595 MQOIHNLPCYACHP-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CCC[C@H](CC)C(=O)Nc1ccc(Cl)cc1C#N 1532392936 QQYLYMFTVSWSLR-JTQLQIEISA-N 264.756 3.976 30 20 CHED C=CCCN(C)Cc1ccc(-c2ccc(C(=O)O)cc2)o1 1602880371 LYBCNBUINNGQPG-UHFFFAOYSA-N 285.343 3.653 30 20 CHED Cc1ccc(CC(C)(C)Nc2ncccc2C#N)cc1 1612504559 AOKUBJKFKGTNPF-UHFFFAOYSA-N 265.360 3.695 30 20 CHED CC[C@@H]1CCN(Cc2ccc(Cl)cc2C#N)[C@@H]1C 1473403165 RPUBWFFGTXJCEQ-VXGBXAGGSA-N 262.784 3.832 30 20 CHED C=C(CC)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 1548681197 GPOKBKMXWLIABH-CYBMUJFWSA-N 279.767 3.636 30 20 CHED CN(c1ccnc(C#N)c1)[C@@H]1CCC[C@H]1C(C)(C)C 1559216070 MYGLXUUJKPKZPB-HUUCEWRRSA-N 257.381 3.604 30 20 CHED CC1(C)CCCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1629009133 SIZMUMXQOIQJEN-KRWDZBQOSA-N 298.430 3.798 30 20 CHED N#Cc1cc(Cl)ccc1NCC[C@@H]1CCCCO1 227317990 XJXBZQOKWBJJTB-ZDUSSCGKSA-N 264.756 3.583 30 20 CHED COc1cc(C#N)ccc1Oc1nc2cccc(C)c2o1 1639151012 ODEMIQJKVZIRKR-UHFFFAOYSA-N 280.283 3.809 30 20 CHED N#CCc1ccc(CN(c2ccccc2)C2CC2)cc1 1643100166 LYIZUTAGEXTTMC-UHFFFAOYSA-N 262.356 3.922 30 20 CHED Cc1cnc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)s1 135774965 FKAHPOKPKUJINO-NWDGAFQWSA-N 271.389 3.735 30 20 CHED CCCCCCCC(=O)Nc1cnc(C(=O)O)c(Cl)c1 1595704988 MMPXMPHNSKWFAJ-UHFFFAOYSA-N 298.770 3.732 30 20 CHED C[C@H](NC(=O)NCc1cccc(C#N)c1)[C@@H]1CCC[C@@H](C)C1 1675772124 TWBDCNYLVBAYQC-JKIFEVAISA-N 299.418 3.572 30 20 CHED CCc1cccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)c1 1776974738 DRVOLHSHZXWBEV-DHZHZOJOSA-N 294.350 3.772 30 20 CHED Cc1sc(Cl)cc1C=NNc1ccccc1C(=O)O 1776032255 WCAZCBSHTLUNRL-UHFFFAOYSA-N 294.763 3.854 30 20 CHED N#Cc1ccccc1OCc1nc(C(F)(F)F)cs1 161834174 OETHXSCENXFQRR-UHFFFAOYSA-N 284.262 3.613 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)c1 206973801 YJAGMWCLFLOCNR-KTKRTIGZSA-N 299.333 3.640 30 20 CHED C[C@H]1C[C@H](C)CN(Cc2ccc(N(C)CCC#N)cc2)C1 158018720 XWOALHKMAHLPAM-HOTGVXAUSA-N 285.435 3.514 30 20 CHED CC(C)(C)CC(=O)N[C@@H](CCC#N)c1ccccc1 153517866 MDJJRKJTAIZLOS-AWEZNQCLSA-N 258.365 3.584 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(F)cc2NC2CC2)c1 157461103 QIRHWTRMASKXCW-UHFFFAOYSA-N 295.317 3.524 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(OC)c1OC 156881242 UZYFMVMRCRIHSM-UHFFFAOYSA-N 291.391 3.522 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cccc(C)c2)cc1 209181645 AJNFTJGSOHBOAA-FLIBITNWSA-N 280.323 3.678 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2)cc1 29150190 WJCWZIZVIDNWRS-UHFFFAOYSA-N 264.328 3.740 30 20 CHED N#CCc1ccc(NCc2c(F)cccc2F)cc1 37071263 MTCHLLKFPOZOEL-UHFFFAOYSA-N 258.271 3.643 30 20 CHED C[C@H]1C[C@@H](NCc2ccc(C#N)cc2)CC(C)(C)C1 37505889 PQAXYEWEIHNNIK-XJKSGUPXSA-N 256.393 3.863 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)c1cscn1 165147545 QORVOZOSSNPFNJ-GFCCVEGCSA-N 287.388 3.999 30 20 CHED C=CCCCCN[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 463274030 BWQFUHRJFJJXPX-HKUYNNGSSA-N 286.463 3.985 30 20 CHED Cc1c(Cl)cccc1C(=O)N[C@@H](C#N)C1CCCCC1 195205991 ZTCOIPOYBKHFDU-HNNXBMFYSA-N 290.794 3.851 30 20 CHED C[C@]1(F)CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 346697785 GWPSJGUDYRLAPY-LBPRGKRZSA-N 272.245 3.515 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 313458689 FCAFLVGXYTWVNI-CQSZACIVSA-N 256.349 3.517 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C)ccc1O 536073998 OMUXNFLZGGLDJL-UHFFFAOYSA-N 281.355 3.529 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(F)c1 361837441 LQBICWXUBHXVTP-NSHDSACASA-N 272.298 3.687 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 483520301 UGRWCIUZDKUSCC-UHFFFAOYSA-N 280.346 3.886 30 20 CHED C=CCCCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 380204079 GNHTYWFZOJIYFE-UHFFFAOYSA-N 270.376 3.871 30 20 CHED C=CCCSCCN[C@@H](C)c1cc(OC)ccc1OC 595061275 ZSXQDBUUKTYJLY-ZDUSSCGKSA-N 295.448 3.664 30 20 CHED C#C[C@@H](NCc1cscc1C(F)(F)F)C(C)C 811505947 USFQPUBXYLRYJW-LLVKDONJSA-N 261.312 3.514 30 20 CHED Brc1csc(C=NNCc2ccccc2)c1 916345299 ZGUMKTDFQVQSPT-UHFFFAOYSA-N 295.205 3.634 30 20 CHED CCc1cccc(CC)c1NC(=O)c1cccc(C#N)c1 3518829 QARGHYXBJMUWFU-UHFFFAOYSA-N 278.355 3.935 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1[N+](=O)[O-] 6866703 JWVHSBGSRWAGNE-SOFGYWHQSA-N 283.283 3.505 30 20 CHED C=C(C)CN(CC)C[C@H](O)c1ccc(C(F)(F)F)cc1 51092540 LIQPJHADRZDFPR-AWEZNQCLSA-N 287.325 3.637 30 20 CHED N#Cc1cc(F)ccc1NCc1ccc(Cl)cc1 104236743 ZHUORJXFHPITNQ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1cccc(C#N)c1 179893474 ZSWGCZUHTAPBRE-ZDUSSCGKSA-N 293.370 3.560 30 20 CHED C=CCCCC(=O)Nc1cc(OC)ccc1Cl 177768390 SKOVYOFUIIDMLW-UHFFFAOYSA-N 253.729 3.643 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(C)cccc1CC 104970664 MKKIRAGGFATYPS-UHFFFAOYSA-N 260.381 3.987 30 20 CHED C=CCN[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 179701910 HNLBXVHZTJAKPO-AWEZNQCLSA-N 298.386 3.506 30 20 CHED CC(C)CCN(CCC#N)C(=O)C(F)(F)c1ccccc1 171548593 KXQHULZBZHBACN-UHFFFAOYSA-N 294.345 3.567 30 20 CHED C=CC1CCN(CC(=O)Nc2sc(C)c(C)c2C)CC1 173723754 RCSCHFCJYUWCTL-UHFFFAOYSA-N 292.448 3.510 30 20 CHED N#Cc1csc(/C=C2\Cc3cc(F)ccc3C2=O)c1 176844538 DDBLHGZGMRQQBC-IZZDOVSWSA-N 269.300 3.581 30 20 CHED N#CCc1cccc(C(=O)OCCCCC(F)(F)F)c1 179198845 HZYAGDLSKWDTMW-UHFFFAOYSA-N 285.265 3.642 30 20 CHED Cc1ccc(C#N)cc1NC(=O)COc1c(C)cccc1C 63960830 QEKULJXXRRAJKW-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CC[C@@H](C)[C@H](C)Nc1ccc2cc(C#N)ccc2n1 301988770 WLPDFIHURCBPKW-NEPJUHHUSA-N 253.349 3.953 30 20 CHED C=CC1CCN(C(=O)CCSc2ccccc2)CC1 110367482 HGFXMNIWBPDWLX-UHFFFAOYSA-N 275.417 3.593 30 20 CHED Cc1cc(N[C@H](CCC#N)c2ccccc2)ccn1 302525302 ZWAUGHSHWOVQGX-MRXNPFEDSA-N 251.333 3.847 30 20 CHED C[C@H](CC1CCCC1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 114617351 HHZWFUMKIBGFCG-OCCSQVGLSA-N 295.386 3.956 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N1CCC(C#N)CC1 179390398 MCHNPCVNCNQJFV-ZRDIBKRKSA-N 288.778 3.505 30 20 CHED CCC[C@@H](C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 171919303 ONFYSDQQRHDCMC-ZIAGYGMSSA-N 272.392 3.904 30 20 CHED C=C(C)CN1CCCCC[C@H]1C[C@@H](O)c1ccco1 247448546 JBZTZQJKNZXDRK-LSDHHAIUSA-N 263.381 3.524 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(OCC(=C)C)c1 117005498 BRYPITYKOUMGCC-CYBMUJFWSA-N 274.364 3.728 30 20 CHED C#CCCCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 179638184 NYSBHFCOBYKFIS-UHFFFAOYSA-N 297.320 3.857 30 20 CHED CCc1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1 174404904 VCCRJHGJWQADAE-UHFFFAOYSA-N 297.333 3.581 30 20 CHED C=C(C)CN1CCC(NC(=O)CCCC2CCCC2)CC1 173102250 BRJHRWGUMLLBTE-UHFFFAOYSA-N 292.467 3.504 30 20 CHED N#Cc1csc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 176840432 GKIWUZUOPOXKBW-DUXPYHPUSA-N 275.279 3.794 30 20 CHED Cc1c(C#N)cccc1NCc1noc(C2CCCCC2)n1 178779591 JJMPCSBVSBTGSO-UHFFFAOYSA-N 296.374 3.910 30 20 CHED CC(C)OCc1ccc(NC(=O)C#Cc2ccccc2)cc1 176111940 IWCILMWKYWBOMG-UHFFFAOYSA-N 293.366 3.602 30 20 CHED Cc1ccc2oc(C(=O)[C@@H](C#N)c3nc(C)cs3)cc2c1 125061560 VAXIEDFKXYPYDB-GFCCVEGCSA-N 296.351 3.996 30 20 CHED N#CCc1cccc(C(=O)N2CCc3c(Cl)cccc32)c1 176339436 CJHYKYKUAGMLFI-UHFFFAOYSA-N 296.757 3.609 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1C(F)(F)F 124139123 LLWDUYWADQLAGY-UHFFFAOYSA-N 296.292 3.892 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCc1cccnc1 37718515 YRRHPQKUPGGHSE-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C#CCC(C)(C)C(=O)N1CC=C(c2ccc(CC)cc2)CC1 185986190 VCUXWUZJNXKRRK-UHFFFAOYSA-N 295.426 3.914 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(C#N)cc1OC 501315752 KTMNPLYVKAKRON-UHFFFAOYSA-N 296.370 3.602 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3ncc(C#N)cc3F)C2)cc1 413259323 CXQBODYNZRQRFC-BBRMVZONSA-N 295.361 3.783 30 20 CHED CC(C)(CC#N)CN[C@@H]1CC2(CCC2)Oc2ccccc21 414172556 WDFLHXGSHFFALD-OAHLLOKOSA-N 284.403 3.962 30 20 CHED C[C@@H](CCC#N)N1CCC[C@@H](Cc2ccccc2)C1 411261937 RXDIGSXBHXRWRX-RDJZCZTQSA-N 256.393 3.633 30 20 CHED Cc1ccc([C@@H]2OCCC[C@H]2Nc2ncccc2C#N)cc1 74778325 YRPJXAQCBZSIIG-SJORKVTESA-N 293.370 3.594 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Cc1cccc(Cl)c1 410119575 RJVUAFLBUMHBIK-IUODEOHRSA-N 279.811 3.990 30 20 CHED N#Cc1ccc(F)c(CSCCC2CCOCC2)c1 419484225 WIYUFINEAKBKJB-UHFFFAOYSA-N 279.380 3.747 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cc(C#N)cs1 412810060 IEYGHRYOCAOKSN-VXGBXAGGSA-N 276.405 3.564 30 20 CHED CC[C@H](C)CC(=O)Nc1ccc(Cl)cc1CC#N 410962620 CYEXGLNYOTVCBJ-JTQLQIEISA-N 264.756 3.781 30 20 CHED CC(C)(C)Oc1cccc(COc2ccc(C#N)cc2)n1 506863220 VZBFODLXCWXOPK-UHFFFAOYSA-N 282.343 3.710 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)NCc1cccc(C#N)c1 502225235 HRSHSZOXKQMPES-MRXNPFEDSA-N 284.403 3.781 30 20 CHED C=CCCN1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 75008154 HEMRERYIDABKEP-UHFFFAOYSA-N 296.455 3.532 30 20 CHED C[C@H]1CCC[C@H]1NCc1ccccc1C(C)(C)C#N 501923860 SZECMCQDEGOPNC-XJKSGUPXSA-N 256.393 3.766 30 20 CHED Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1Cl 434029767 DERDKAZMLWKJPC-CQSZACIVSA-N 290.794 3.803 30 20 CHED C=C(C)CCc1noc([C@H](C)c2cccc(OC)c2)n1 508606492 XAFQMQFGZGDYHT-GFCCVEGCSA-N 272.348 3.739 30 20 CHED CC(C)(C)[C@H](NCCC#N)c1ccc(F)cc1F 411473522 KNNYRCHOFZPVCJ-CYBMUJFWSA-N 252.308 3.555 30 20 CHED Cc1cc(CON=C2c3ccccc3-c3ccccc32)no1 216037927 ZYYJEJQXBLGIGI-UHFFFAOYSA-N 290.322 3.933 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)CC(=C)C)c1 181686209 DMAHSVFUFGOZQV-UHFFFAOYSA-N 274.364 3.681 30 20 CHED C[C@@H]1C[C@H](NC(=O)NCCCC#N)C[C@@H](c2ccccc2)C1 413432378 CBVAWGVIFCCJJO-XIRDDKMYSA-N 299.418 3.562 30 20 CHED N#CCCCN[C@@H](Cc1ccccc1)c1cccs1 184980369 KRNLDABZIHSWBJ-HNNXBMFYSA-N 270.401 3.925 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncccc2C#N)C1 77983813 RNGJSVJWACTLPD-GOEBONIOSA-N 277.371 3.644 30 20 CHED N#CCC1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1 334338973 ZWTVGEAHNQHEHS-UHFFFAOYSA-N 295.745 3.637 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cncc(C)c1 184352955 NIYIEGTUTHKUFY-OAHLLOKOSA-N 282.387 3.806 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2ccc(F)cc21 181109151 YTCRGEPWYSLQRR-LBPRGKRZSA-N 276.355 3.643 30 20 CHED CCc1sc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1C 45250310 WDICXJZFYHDKAC-UHFFFAOYSA-N 298.411 3.763 30 20 CHED C=C1CCN(C(=O)c2occc2-c2ccc(F)cc2)CC1 503037768 XYNLZCBKCMQSKK-UHFFFAOYSA-N 285.318 3.878 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1cc(C#N)ccc1F 130076807 FFOXXFDGEQKJJZ-KRWDZBQOSA-N 283.350 3.675 30 20 CHED C[C@H](C(=O)Nc1ccccc1C#N)c1c(F)cccc1F 133829450 QZNNHOZDOWORHU-JTQLQIEISA-N 286.281 3.579 30 20 CHED CCCC1(C/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)CCC1 328912174 HACXQHDYUXJLHS-RYUDHWBXSA-N 266.385 3.668 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(CCC#N)CCC#N 413224171 YGMWGPGNPQPIJX-INIZCTEOSA-N 289.423 3.639 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCCC1(C)C 411063514 LNZDTPXFHUAIRK-CQSZACIVSA-N 284.359 3.526 30 20 CHED C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(C#N)cc1 83079959 MRNDQJRCIJYSPJ-FKIZINRSSA-N 287.359 3.707 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(Br)cc(F)c1O 134928672 KSOHUUJFHYBNDU-HTQZYQBOSA-N 288.160 3.519 30 20 CHED C=CCSCCNC(=O)Nc1ccccc1OC(C)C 194604362 QVZDSOHAGCRKHL-UHFFFAOYSA-N 294.420 3.515 30 20 CHED CCC(C)(C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505983318 ZOXXXZILVHKZMS-GFCCVEGCSA-N 298.308 3.822 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 190373900 UPRLFTPSINMWKU-SFHVURJKSA-N 295.386 3.993 30 20 CHED CC(=O)c1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 425531229 HAJAPBPXHSMZPK-AWEZNQCLSA-N 292.382 3.954 30 20 CHED C=C(C)CCN(Cc1c(F)cccc1F)C1CC1 510767840 XCLFWGATPUMNGK-UHFFFAOYSA-N 251.320 3.895 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2ccccc2n1 424602425 YZCAFHAXCRXVBU-UHFFFAOYSA-N 254.333 3.776 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N(C)[C@@H](C)CC#N 130627404 YQSKHXWPLSHWOE-IIANPFDCSA-N 276.767 3.504 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)C(C)(C)C 425639314 PDBWLRRJJPTPPJ-STQMWFEESA-N 272.392 3.760 30 20 CHED N#CCC[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 130476093 GCQIFCWEEAXTCM-GOSISDBHSA-N 275.355 3.693 30 20 CHED N#CC1(NC(=O)c2ccc(C(F)(F)F)cc2)CCCCC1 40215319 QIAUQXRKIJRYMP-UHFFFAOYSA-N 296.292 3.662 30 20 CHED C[C@@H](Sc1cccc(F)c1C#N)c1cccnc1 517008425 KKXAGIHHLPBGLW-SNVBAGLBSA-N 258.321 3.946 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(C)Cc1cccc(C#N)c1 516391277 BPTXEHTXSWGXCH-WMLDXEAASA-N 284.403 3.733 30 20 CHED C=C(C)CN(CC(=C)CC)Cc1cnn(C(C)C)c1 512516991 OTLYNVWJIGGAGB-UHFFFAOYSA-N 261.413 3.808 30 20 CHED C[C@H](SCC(=O)Nc1ccccc1)c1cccc(C#N)c1 190906255 SXMHICMNBJFSDI-ZDUSSCGKSA-N 296.395 3.991 30 20 CHED CCCc1ccc([C@@H](NC(=O)NCCC#N)C(C)C)cc1 426434729 IUXFMHDLWUSUNS-INIZCTEOSA-N 287.407 3.549 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCC[C@H]1C 424800413 ZSLBPVVEVYZEOL-GDBMZVCRSA-N 275.392 3.663 30 20 CHED C=CCCC(=O)Nc1nc(-c2cccs2)cs1 338622401 CKKBXSZOEUNQMU-UHFFFAOYSA-N 264.375 3.776 30 20 CHED CCC[C@H](C#N)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94543959 IAVGUWLAMMABFT-HARIEKMUSA-N 288.435 3.791 30 20 CHED C[C@H](N(C)Cc1cccc(OCCCC#N)c1)C1(C)CC1 91900455 YQIOFCWABDYIRY-HNNXBMFYSA-N 286.419 3.990 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@]1(C)CCO[C@@H]1C 330850082 PLNNVMOLQFMVOQ-IAQYHMDHSA-N 296.436 3.522 30 20 CHED CC1CCC(C)(N/C(O)=N/[C@@H]2CCOC3(CCC3)C2)CC1 330236870 UPCRMVYVXYPKGK-NPCAHTBFSA-N 294.439 3.561 30 20 CHED C=CCCCCCN(C)CCc1ccccc1[N+](=O)[O-] 511120842 DWCDQRQCZVZVFU-UHFFFAOYSA-N 276.380 3.816 30 20 CHED C=CCC[C@@H](NC(=O)NC1(C(F)F)CC1)c1ccccc1 337770228 FGKAFBQPKNXZLK-CYBMUJFWSA-N 294.345 3.791 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2CC#N)c2c1CCC2 336281975 ZDWPUVFRIGDVGE-UHFFFAOYSA-N 290.366 3.802 30 20 CHED C[C@]1(Cc2ccc(F)cc2)CCCN1c1ccc(C#N)cn1 420606704 AJYBVLVEPUDUAR-GOSISDBHSA-N 295.361 3.694 30 20 CHED O/C(=N/C[C@H]1CCCCO1)Nc1cccc(C(F)F)c1 330446846 WEPYIKJVLFIZTN-GFCCVEGCSA-N 284.306 3.519 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CC1CCC(c2ccccc2)CC1 517450615 KCZHBKCQNBAGNY-HJOIGYKYSA-N 298.430 3.969 30 20 CHED CN(Cc1cccc(O)c1)c1ccc(C#N)c(Cl)c1 527289715 BKAWKHSYUDFYEN-UHFFFAOYSA-N 272.735 3.554 30 20 CHED N#Cc1cccc(CCNC/C=C\c2ccc(F)c(F)c2)c1 512370795 XOCWPWFRQSICIV-DJWKRKHSSA-N 298.336 3.682 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1c(C)oc2ccccc12 337100328 VFOJTBMWNDRNOC-CYBMUJFWSA-N 271.360 3.755 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1ccc(C#N)cc1 514533547 QKZHZSUSCHMNMF-UHFFFAOYSA-N 278.355 3.529 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCCc2ccccc21 432349078 UTOLFBVEONIZQN-KRWDZBQOSA-N 290.366 3.925 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ncccc2Cl)cc1 335694941 KXEFCLJFJVFTOL-UHFFFAOYSA-N 299.761 3.788 30 20 CHED O=C(/C=C\c1cccnc1)c1c[nH]c2cc(F)ccc12 96035637 MOGHRIMLAQGOLU-UTCJRWHESA-N 266.275 3.598 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCOc2c(F)cccc2C1 434615384 MWCMQUWHLMUHJC-CYBMUJFWSA-N 296.345 3.653 30 20 CHED N#CCC1(CN[C@H](CCc2ccccc2)C(F)F)CC1 430750179 MRMZLIWDMTWQRA-CQSZACIVSA-N 278.346 3.536 30 20 CHED C=CCNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 431253001 PLRYGUGGIHBMSL-UHFFFAOYSA-N 295.260 3.881 30 20 CHED COc1ccc([C@H]2CCCN2c2cc(C)nc(C#N)c2)cc1 341340328 JLEFVFYLFLUAJO-GOSISDBHSA-N 293.370 3.612 30 20 CHED C=C(C)CN(Cc1ccc(CC)o1)Cc1ccc(CO)o1 348632122 GZCUKWKSQYNQPH-UHFFFAOYSA-N 289.375 3.506 30 20 CHED N#Cc1cccc(C2(NCc3ccc(Cl)o3)CC2)c1 341210129 FOPXZOROAVZYBE-UHFFFAOYSA-N 272.735 3.584 30 20 CHED N#CCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 249034736 SCBYFEQLXFJBGK-OIISXLGYSA-N 267.376 3.703 30 20 CHED C#Cc1cccc(NC(=O)CCC(=O)c2ccc(C)s2)c1 247813470 AYFMOCFIUVAASS-UHFFFAOYSA-N 297.379 3.639 30 20 CHED C=C[C@H](CC(=O)Nc1cncc(F)c1)c1ccccc1 341551421 YYHAKVLHRDRDIZ-GFCCVEGCSA-N 270.307 3.519 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCN2C2CCCCC2)cc1 435590370 VTLBSYWDCAYVPY-SFHVURJKSA-N 283.419 3.767 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 437419134 PCVDOTMIPPBQPF-GFCCVEGCSA-N 294.345 3.782 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(OC)c1 340204215 KUZSIZVTWDEPLH-UHFFFAOYSA-N 274.408 3.847 30 20 CHED CC[C@H](CC#N)N[C@@H](C)CCc1ccc(F)cc1F 348259222 DJURXFPCHDPEQY-SMDDNHRTSA-N 266.335 3.568 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccccc2)s1 430588244 CLCFTOURZHPLAV-GFCCVEGCSA-N 284.384 3.931 30 20 CHED C=CCCC(=O)Nc1csnc1-c1ccccc1 436724653 QAOAPVGIWRGTNM-UHFFFAOYSA-N 258.346 3.715 30 20 CHED CCC[C@H](C)NCc1cccc(OCCCC#N)c1 608860279 JCSANKMOMZZCKY-AWEZNQCLSA-N 260.381 3.647 30 20 CHED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccccc1O 255060678 RDTAOGQVZQGVIK-SREVYHEPSA-N 298.729 3.589 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cccc(C(F)(F)F)c1 538198587 KQHRCXBJSBMYHI-NEPJUHHUSA-N 287.325 3.541 30 20 CHED CC(C)O[C@@H](CNCC(C)(C)CC#N)c1ccccc1 602691166 NOMFPKYZYRVIFP-INIZCTEOSA-N 274.408 3.682 30 20 CHED COc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)c2ccco2)cc1 349403085 FQDZGIOCJWFADE-YEWWUXTCSA-N 296.370 3.659 30 20 CHED CCCCOc1ccc(NC(=O)C(C#N)(CC)CC)cn1 529062516 HLUMVYXRRMHVHK-UHFFFAOYSA-N 289.379 3.529 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)cc1 255680750 NNRCEDLUJYBSTC-KHPPLWFESA-N 282.387 3.922 30 20 CHED Cn1cc(/C=C\C(=O)c2cccc(Cl)c2Cl)cn1 255113093 LORIIVKNNXAISE-WAYWQWQTSA-N 281.142 3.623 30 20 CHED C=CCCCOc1c(NC(C)=O)c2cccc(C)c2n1C 347999586 AAQFJQZYRCIXQP-UHFFFAOYSA-N 286.375 3.790 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 529493392 XNXUPNQVBUBMRI-NKGKWGDASA-N 283.415 3.582 30 20 CHED C=CCC(C)(C)c1noc(-c2ncccc2Cl)n1 340772728 JWMHXJSYAYDWAN-UHFFFAOYSA-N 263.728 3.639 30 20 CHED C[C@@H](CCC#N)CNc1ccc(-n2ccnc2)c(Cl)c1 602490045 HENUIZDFVGIIQX-LBPRGKRZSA-N 288.782 3.877 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Cl)ccc1OC(C)C 522645554 ZQQHVKPTQWRKSI-NSHDSACASA-N 281.783 3.822 30 20 CHED Cc1nc(C)c([C@H](C)N(C)C[C@@H](C)CCC#N)s1 602477397 VRLMEAIFHURMBY-JQWIXIFHSA-N 265.426 3.693 30 20 CHED CC1(C#N)CCC(N[C@H]2C[C@@H]2Cc2ccccc2)CC1 449153764 KWGWDLPSMGTJLS-NALMEZQBSA-N 268.404 3.680 30 20 CHED CCCN(C(=O)[C@H](C)C#N)[C@H](CC)c1ccccc1 531290866 XGNVHMJRQMBUKQ-UKRRQHHQSA-N 258.365 3.536 30 20 CHED C=C(C)CN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 441339148 VELXIAINWGNIRH-CQSZACIVSA-N 278.827 3.595 30 20 CHED CC[C@](C)(NCc1ccc(C#N)cn1)c1ccc(F)cc1 602925010 TVOHOZOBVNKIPA-KRWDZBQOSA-N 283.350 3.507 30 20 CHED C=C(C)CN1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 444698617 CRJUQAHLSHIAJA-IUODEOHRSA-N 265.784 3.678 30 20 CHED CC(C)(C)[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 264535452 GAYQOZBQNRFPFR-INIZCTEOSA-N 272.392 3.599 30 20 CHED CN(C(=O)CCCC#N)C1CCC(C(C)(C)C)CC1 359997588 AZHZPYDUDBNSAF-UHFFFAOYSA-N 264.413 3.744 30 20 CHED CC(C)CCN(C(=O)NCC(C)(C)CCC#N)C1CC1 358695544 QQVCFGDNMLUFSD-UHFFFAOYSA-N 279.428 3.536 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)c1ccccc1 449062135 ILUIAEMHUMAFNF-ODIFPOPNSA-N 256.393 3.852 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CSCc3ccccc32)C1 618570468 FCMMOODUUXNYKV-IVMMDQJWSA-N 272.417 3.646 30 20 CHED C=C[C@H](N[C@H](C)c1ccc(SC(C)C)cc1)C(=O)OC 619701189 AKLQZJQNALORHS-DOMZBBRYSA-N 293.432 3.565 30 20 CHED Cc1sc(NC(=O)C2CC(C)(C)C2)c(C#N)c1C 360936915 VAYHTQFRYBPGEQ-UHFFFAOYSA-N 262.378 3.611 30 20 CHED C[C@H](C#N)CN(C)C(=O)C(C)(C)c1ccc2ccccc2c1 610239065 IBBYUXSHHRYEAU-CQSZACIVSA-N 294.398 3.735 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2CCC[C@@H]2C)c1 359929651 KOXGICHRAYISLN-XHDPSFHLSA-N 256.349 3.609 30 20 CHED C=CCN(CCC#N)C(=O)CC(C)(C)c1ccc(C)cc1 359434563 IEXYIXAMXDNWCD-UHFFFAOYSA-N 284.403 3.591 30 20 CHED N#Cc1ccc(N2CCC(c3ccc(F)c(F)c3)CC2)cn1 267415960 SSPPQRKQCFDXAV-UHFFFAOYSA-N 299.324 3.615 30 20 CHED COc1cc(C)c([C@@H](C)N2CCC(CC#N)CC2)cc1C 614963485 FMHJMIUQUPLRHE-OAHLLOKOSA-N 286.419 3.999 30 20 CHED CCO[C@H]1C[C@H](N(C)CCC(C)(C)C#N)C12CCCCC2 535664124 XNHWABSUJUXHRM-HOTGVXAUSA-N 292.467 3.986 30 20 CHED C=C(CC)CN1CCCN(CC2CCCCC2)CC1 538001704 DRSMBMISXWEAAP-UHFFFAOYSA-N 264.457 3.541 30 20 CHED C[C@@H](N[C@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1 539508420 XKWRIXUYTULAQK-BZNIZROVSA-N 298.773 3.996 30 20 CHED C=CCn1cccc1C(=O)N1CC2(CCC2)[C@H]1c1ccco1 456590867 PXNVYLBJKRLEPE-MRXNPFEDSA-N 296.370 3.635 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N1CC[C@](F)(C#N)C1 615665359 ZJWFINFPNXVHDT-RDJZCZTQSA-N 294.414 3.837 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(CC#N)cc1Cl 455724125 BRXLBGQXMGXCFR-UHFFFAOYSA-N 291.782 3.740 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCc2cc(F)ccc2F)C1 617785932 PXOBXZHCXQSNFF-ZDUSSCGKSA-N 293.357 3.712 30 20 CHED CC[C@H](CN(CC)C(=O)[C@]1(C#N)C[C@H]1C)c1ccccc1 450768553 VHICTOZKCRYCDO-RKVPGOIHSA-N 284.403 3.578 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H](C(C)(C)C)CC1 549768836 LOWYCTZMLXMTOJ-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H](C)C1 541598563 WHHWOWHGLZLEIU-NWDGAFQWSA-N 290.794 3.720 30 20 CHED C=CCN(C(=O)CCC(=O)c1cc(C)sc1C)C1CC1 271527208 BOTWZQAJQUNFIT-UHFFFAOYSA-N 291.416 3.505 30 20 CHED C#CCCCNc1cccc(NC(=O)CCC)c1C 270885385 GGVLFFGAUGYDFR-UHFFFAOYSA-N 258.365 3.559 30 20 CHED C[C@H](CC(=O)NC(C)(C)C#N)c1ccccc1C(F)(F)F 542830891 SJPTVQZQOQUCQP-SNVBAGLBSA-N 298.308 3.617 30 20 CHED CCCC[C@H](COC)N[C@@H](C)c1ccc(C#N)c(F)c1 271963194 RRMSFZIBERIJDI-SWLSCSKDSA-N 278.371 3.553 30 20 CHED N#Cc1ccnc(N2CCCC[C@@H]2c2ccc(Cl)cc2)n1 450828816 LEQYKEOWQMRBNQ-OAHLLOKOSA-N 298.777 3.733 30 20 CHED C[C@H]1C[C@H](CCNc2ccc(C#N)c(Cl)c2)CCO1 543208584 SIODQMSLUVLXPV-NWDGAFQWSA-N 278.783 3.829 30 20 CHED CC[C@@H](N[C@H](CCOC)c1ccco1)c1ccc(C#N)cc1 278705114 LFHVYNIKQLYQMJ-IAGOWNOFSA-N 298.386 3.970 30 20 CHED CCN(CCC#N)C(=O)CCCCCc1ccc(F)cc1 275167973 UCQFBODUCREQEA-UHFFFAOYSA-N 290.382 3.691 30 20 CHED C=C(CC)CNc1ccc(-n2cc(C)cn2)c(F)c1 540201584 GLABJPGXPDPABK-UHFFFAOYSA-N 259.328 3.698 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(-c2ccncc2)c1 453369907 TXESWSGHIOMAHB-KYNGSXCRSA-N 294.398 3.743 30 20 CHED C=CC(C)(C)CNC(=O)N(C)CCc1ccc(Cl)cc1 455366017 LPNJWQKZTVJOMU-UHFFFAOYSA-N 294.826 3.736 30 20 CHED C[C@@H](CC(=O)N1CCC(CC#N)CC1)C1CCCCC1 543835228 POFMPGQZVAJQOZ-AWEZNQCLSA-N 276.424 3.745 30 20 CHED CCC[C@@H](NC(=O)NCc1cccc(C#N)c1)C(C)(C)C 454307479 DBIQTROYGGOTKQ-OAHLLOKOSA-N 287.407 3.572 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(CCSC)cc1 454691944 QZHFOZNANVYDOP-UHFFFAOYSA-N 292.448 3.926 30 20 CHED Cc1ccc(-c2nc(CNCCCC#N)cs2)cc1 273100029 VLWMITGORSNWCP-UHFFFAOYSA-N 271.389 3.512 30 20 CHED C=CCC[C@@H](NCc1ccc(OC)cn1)c1ccccc1 272087363 XIARIYFVMZOILP-GOSISDBHSA-N 282.387 3.887 30 20 CHED C=CCCCCCN(C)c1ccc([N+](=O)[O-])c(C#N)c1 463646830 QLKJLSBCOUSXBM-UHFFFAOYSA-N 273.336 3.649 30 20 CHED C=C(C)C[C@H](C)C(=O)NCC1(O)CCC(C(C)(C)C)CC1 467793120 PTSIKCZYRZTLHU-SYJJWHGVSA-N 295.467 3.672 30 20 CHED N#Cc1ccc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1 544950931 KJYBLYZWKMSGHM-UHFFFAOYSA-N 286.294 3.757 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)NCCc1ccc(F)cc1 540193486 XNWYBJWHUHLCRC-ZDUSSCGKSA-N 295.423 3.572 30 20 CHED C=CCC[C@H](CC)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 462119263 GRACWITUGJPSHE-BYNSBNAKSA-N 251.414 3.524 30 20 CHED C=C(C)COCCN[C@H]1CCc2c(Cl)cccc21 540155535 AUIVGHPEJABLQZ-HNNXBMFYSA-N 265.784 3.510 30 20 CHED C[C@@H]1Oc2ccccc2[C@H]1Nc1snc(Cl)c1C#N 377177735 VXHKTKOHAHOAMN-CPCISQLKSA-N 291.763 3.602 30 20 CHED Cc1cccc(C)c1OCCCN[C@H]1CCC[C@@H](C#N)C1 463295924 AQZZMRNRECNTNC-SJORKVTESA-N 286.419 3.744 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(C)cc1 465144138 JQLCXYCXUMJYOS-CQSZACIVSA-N 293.366 3.530 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccccc1SC 282058166 BWQPGBIGGBRJSG-QWHCGFSZSA-N 293.432 3.567 30 20 CHED CCCCCCCC(=O)N1CCCCC[C@@H]1c1ncon1 374912662 DYVGDYYGERRLRL-CQSZACIVSA-N 293.411 3.874 30 20 CHED Cc1ccc(C)c(CN(C#N)c2ccc(F)c(C#N)c2)c1 467764588 RVATYHCXODIIOR-UHFFFAOYSA-N 279.318 3.802 30 20 CHED CCc1nc([C@@H](C)Nc2nc(Cl)c(C#N)s2)cs1 286630176 CSSSSSVZRFAAIM-ZCFIWIBFSA-N 298.824 3.860 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 555249622 ULSMCZNZETYWIB-LSDHHAIUSA-N 290.455 3.535 30 20 CHED C=C[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3 464516804 CEQMYRPXFWHGBL-IKXAHOJESA-N 273.420 3.626 30 20 CHED CC(C)N(C)C[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 386618149 DNQCPECACJOPPF-NSHDSACASA-N 299.340 3.718 30 20 CHED CC(C)(C)CN(CC(C)(C)C)C(=O)CC(C)(C)C#N 469775040 JYJICSHOUXGXNM-UHFFFAOYSA-N 266.429 3.847 30 20 CHED C=C(C)[C@@H](CC(=O)N(CCCC)c1cccnc1)OCC 637519264 NARSUMNSBYAXEK-MRXNPFEDSA-N 290.407 3.586 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cnc(OC)c(Cl)c1 556574006 NDSZPOLOJHURDD-PWSUYJOCSA-N 268.788 3.749 30 20 CHED CCOc1ccc(C2=CCN([C@H](C)CCC#N)CC2)cc1 299692684 NXUZMUCPJWOCPD-OAHLLOKOSA-N 284.403 3.867 30 20 CHED C[C@@H]1C[C@H](Nc2cccc(OCCCC#N)c2)c2nccn21 294040783 IQGMECCYRITRHN-CJNGLKHVSA-N 296.374 3.684 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(C(C)C)cn2)s1 291132566 AXSUVULNLQVTOC-UHFFFAOYSA-N 299.399 3.953 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 476896903 SUUFUVXBHMMOFC-MRXNPFEDSA-N 298.430 3.996 30 20 CHED C#CCC(C)(C)c1nc(-c2cccc3cnccc23)no1 809391699 SPLTUUIZWZKEFP-UHFFFAOYSA-N 277.327 3.586 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 292672974 FYDAJWHMOUQMRU-GXTWGEPZSA-N 293.432 3.639 30 20 CHED C=CCOCCN1CCCC[C@@H]1c1ccc(F)cc1F 645098683 DTAHCGXWSWZYGZ-MRXNPFEDSA-N 281.346 3.694 30 20 CHED Cc1cn(Cc2ccc(C3CCC3)cc2)cc1C#N 562589472 QXSQQDCQXCBADC-UHFFFAOYSA-N 250.345 3.984 30 20 CHED CC(F)(F)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 293841698 XUHXRUJMCWRMLB-UKRRQHHQSA-N 278.346 3.970 30 20 CHED CCc1ccc([C@H]2CCN(CCCSCC#N)C2)cc1 293500061 ZPXQCWOLEVHYHE-KRWDZBQOSA-N 288.460 3.685 30 20 CHED N#CCCCC(=O)Oc1ccc(Cl)c(Cl)c1 291032079 FEQKOKWYGRLPBY-UHFFFAOYSA-N 258.104 3.593 30 20 CHED C#C[C@@H](CC)NCc1ccccc1OC1CCCC1 809686296 IHDJGXXIVNYFIC-HNNXBMFYSA-N 257.377 3.509 30 20 CHED CN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C 566183939 FTGFWLMCVBWZBB-UHFFFAOYSA-N 269.310 3.787 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(=Cc3cccc(F)c3)CC2)C1 563350590 PGJFYEJEFYINHR-AEFFLSMTSA-N 284.378 3.997 30 20 CHED Oc1ccc(C2CCC(=NOCC(F)F)CC2)cc1 814903827 COCXHPPUMAOEDD-UHFFFAOYSA-N 269.291 3.688 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccccc1C#N 814884953 FXADTCFALUIIJB-UHFFFAOYSA-N 267.307 3.842 30 20 CHED C=CCOCCN[C@@H](c1ccc(F)cc1)C1CCCC1 569476745 QTCOYJNHKNFKPO-QGZVFWFLSA-N 277.383 3.849 30 20 CHED Cc1ccc2ccnc(NCC3(CC#N)CC3)c2c1 564446004 LQMNYJDVAQFLHN-UHFFFAOYSA-N 251.333 3.649 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCc2ccccc2C1 644641871 QQIVYLPVIYEHIH-CQSZACIVSA-N 271.404 3.510 30 20 CHED C=CCC[C@@H](C(=O)N(CC)CCOCC)c1ccccc1 488356645 NAVXSDXRPAXFHL-QGZVFWFLSA-N 289.419 3.621 30 20 CHED C=CCCCCCCCNC(=O)Cc1cccs1 810766717 NLZNNDZFDJJFAV-UHFFFAOYSA-N 265.422 3.933 30 20 CHED O=C(/C=C/c1cnn(CC(F)F)c1)c1cccc(Cl)c1 814187221 CYMQZBCAVRWLRY-SNAWJCMRSA-N 296.704 3.698 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 816517564 UXSFKGSBEBCYID-HIFRSBDPSA-N 293.357 3.911 30 20 CHED C[C@@H]1C(=NNc2ccc(Cl)c(F)c2)CC[C@H]1CC(=O)O 814862758 QQKBXTZDWKMHOZ-IUCAKERBSA-N 298.745 3.768 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)cc2C)cc1O 811699790 ZNJYEYLHQPQHLM-QPJJXVBHSA-N 286.302 3.744 30 20 CHED CCO[C@H]1CC(=NNc2ccc(F)c(F)c2F)C1(C)C 814944161 TXDPVOHSSQCOTH-NSHDSACASA-N 286.297 3.707 30 20 CHED C#Cc1ccccc1CC(=O)NC(C)(C)c1ccccc1C 818332176 LZFFWQGWIHTTKY-UHFFFAOYSA-N 291.394 3.570 30 20 CHED CC(=NOC/C=C/Cl)c1nc2ccccc2s1 811668361 FFNCCOIHIDFBTQ-ZJPUZTQDSA-N 266.753 3.789 30 20 CHED C#CCC1(OC(=O)c2oc3ccccc3c2COC)CCC1 810751825 KKFASIZFZPSYBI-UHFFFAOYSA-N 298.338 3.682 30 20 CHED CC/C(=C\C(=O)N[C@]1(C#N)CC1(C)C)c1ccc(C)cc1 813300819 NCGYSLMAAIKVEW-MDNBWPLSSA-N 282.387 3.597 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 482239764 FQRIXWOESXMZQL-YOEHRIQHSA-N 298.430 3.822 30 20 CHED N#CCC[C@@H](NC(=O)C1(F)CCCCC1)c1ccccc1 810691410 BKFZIIUWBKIFFI-OAHLLOKOSA-N 288.366 3.820 30 20 CHED C[C@]1(C(=O)Nc2sccc2C#N)C[C@@H]1c1ccccc1 575894475 DZLJSXBPGXOPLC-CJNGLKHVSA-N 282.368 3.752 30 20 CHED C#CCON=C(Cc1ccccc1)c1sccc1C 812233023 QESPLBZNCFRCTI-UHFFFAOYSA-N 269.369 3.653 30 20 CHED CC[C@](C)(C=NNc1cc(Cl)nc(Cl)c1)OC 819828973 XFLLBMXEWXJOBM-LLVKDONJSA-N 276.167 3.601 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H]2CCCC[C@H]2C)cc1 728712982 HBXNWLQHDSIMML-CPUCHLNUSA-N 272.392 3.646 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccccc1Cl)C(C)C 488577847 QCZRERGSICMPDS-AWEZNQCLSA-N 280.799 3.912 30 20 CHED C=CCCCNc1cc(-c2ccnn2C)ccc1C 486099447 BVCAZONOYKJWHS-UHFFFAOYSA-N 255.365 3.774 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@H](C)CCCC)nc1 818924644 QAUAMUWNKPNOJL-OAHLLOKOSA-N 286.419 3.884 30 20 CHED C=CCCCCCCCN1C(=O)[C@H](CC)N(C2CC2)C1=O 811841336 BMTYYPUPZKCDEM-HNNXBMFYSA-N 292.423 3.718 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2ccsc2)CCCC1 578843519 UVUQZBSTBAUOMK-ZDUSSCGKSA-N 277.433 3.932 30 20 CHED CCc1nc(CNc2ccc(C(F)(F)F)c(C#N)c2)co1 829183945 UEPLGOFCHQHSMA-UHFFFAOYSA-N 295.264 3.740 30 20 CHED N#Cc1cc(Cl)ccc1COc1ccc2ncncc2c1 578403798 VVEWPBKDQJEBCJ-UHFFFAOYSA-N 295.729 3.734 30 20 CHED C#CCN(C(=O)C[C@@H](CC)C(C)C)C1CCCCC1 729348823 YGHWQJUNEHNMHU-OAHLLOKOSA-N 263.425 3.853 30 20 CHED C=CC[C@H]1CCCN(c2nc(C)cc(C(F)(F)F)n2)C1 664254915 HLIUVPMKRWPXQU-NSHDSACASA-N 285.313 3.596 30 20 CHED CC[C@H](CC(=O)OCCOc1ccc(C#N)cc1)C(C)C 729758485 LTTQWPLITUXHDY-OAHLLOKOSA-N 289.375 3.553 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 821733696 XBCFJFUPCBKGON-DYVFJYSZSA-N 286.419 3.776 30 20 CHED C#C[C@H](N[C@@H]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1F 824370685 NSENKTXDGABKII-WWGRRREGSA-N 295.785 3.701 30 20 CHED C#CCOc1ccc2ccccc2c1C=NNC1CCCC1 727651774 AGFPGCQOSKGGQP-UHFFFAOYSA-N 292.382 3.718 30 20 CHED CCO[C@@H]1CCC[C@H](Nc2ccccc2O[C@H](C)C#N)C1 902946238 ZAAHXAZPPDLJFN-QLFBSQMISA-N 288.391 3.737 30 20 CHED CS(C)(=O)=Nc1ccc(NCc2cccc(C#N)c2)cc1 821212525 GHKIJKHEBFNHSA-UHFFFAOYSA-N 299.399 3.529 30 20 CHED COCCc1ccc(-c2csc(CC#N)c2)cc1 904750567 GXJSLDBMWZMECA-UHFFFAOYSA-N 257.358 3.670 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2c(C)cc(C)cc2C)nc1 733487228 MLXMOORHBBUNDS-HNNXBMFYSA-N 293.366 3.906 30 20 CHED CS[C@@H]1CCCC(=NNc2cc(C#N)cc(Cl)n2)C1 901206802 ZECXHYAKCTYJCB-LLVKDONJSA-N 294.811 3.680 30 20 CHED C#CCOc1ccc(NC(=O)NC[C@H](C)C(C)(C)C)cc1 734651040 XEPCPDJSCNZEOY-ZDUSSCGKSA-N 288.391 3.502 30 20 CHED Fc1ccc(NN=Cc2cccc(OC3CCCC3)c2)nc1 731319064 NJGLSFKJNRCFCE-UHFFFAOYSA-N 299.349 3.988 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(C(F)(F)F)c1 499490577 KBSLHKHRGMIUAK-AWEZNQCLSA-N 298.308 3.764 30 20 CHED C=CC[C@@H](NC(=O)/C=C\c1ccccc1F)c1ccncc1 734456867 DOYOMMXWZPDMMK-XZVRFQMRSA-N 296.345 3.668 30 20 CHED CC[C@H](N[C@@H](C)c1cncc(F)c1)c1cccc(C#N)c1 902946827 AHEUVSQJEKRPBL-SJCJKPOMSA-N 283.350 3.894 30 20 CHED N#Cc1cc(N2CCC[C@@H]2CCc2ccccc2)ccn1 582922063 VNRUFDVMYHVFAB-QGZVFWFLSA-N 277.371 3.555 30 20 CHED Cc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1F 731486526 ZMMDTKDICMIJBM-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CCCC(CC)=NNc1ccc(C(=O)OC)c(F)c1 835018777 UNKHNROEXVRUBK-UHFFFAOYSA-N 266.316 3.590 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CCC[C@H]1CCC(C)C 736400020 IFCYRNZVTNRAMP-QWHCGFSZSA-N 272.820 3.643 30 20 CHED COc1cccc(/C=N\CC2(c3ccccc3)CCC2)c1O 839390515 ZKTKDPWDUFJRDL-MOSHPQCFSA-N 295.382 3.942 30 20 CHED C=C(C)CN(CC)c1nnc([C@@H]2CCCS2)n1C1CC1 583759550 NHCJKOHWALMTMV-ZDUSSCGKSA-N 292.452 3.584 30 20 CHED C=C[C@H](CC)CC(=O)Nc1sc(C)c(C)c1C#N 901289134 BTQPSYIQJPOOCV-LLVKDONJSA-N 262.378 3.777 30 20 CHED CC(C)(C)C[C@H](NC(=O)C#CC1CC1)c1ccccc1 837344617 GOQNQEVTEMVVGU-INIZCTEOSA-N 269.388 3.694 30 20 CHED COc1cccc(NN=Cc2c(C)nn(C(C)C)c2C)c1 901157879 AMESFDGMPKMCOF-UHFFFAOYSA-N 286.379 3.535 30 20 CHED CC(CC(C)(C)C)=NNc1oc(C(C)C)nc1C#N 834947364 FOSGOVTZCDWZGA-UHFFFAOYSA-N 262.357 3.894 30 20 CHED C=CCCCOC(=O)c1ccc(N(C)c2ccccc2)nc1 735529715 KABJZOLCJYETOH-UHFFFAOYSA-N 296.370 3.973 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1c1cc(C#N)ccn1 581211824 MUXOGVXBPJDIKG-TZMCWYRMSA-N 257.381 3.604 30 20 CHED CC[C@H](C)[C@H](C=NNc1ncccc1C(F)(F)F)OC 834940432 GEAPYOCIGIICDZ-ONGXEEELSA-N 289.301 3.559 30 20 CHED CCCc1csc(NN=Cc2ccc(OC)cc2)n1 738413189 QOXFWBRLVNEUDF-UHFFFAOYSA-N 275.377 3.550 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)CCCCCC#N)C1 588158727 CYYRCLZVJBPZJV-KBPBESRZSA-N 250.386 3.545 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cncn2C(C)C)c1 901429892 FHWAPGSMLIXLGU-FPLPWBNLSA-N 268.360 3.977 30 20 CHED C[C@H](NN=C1CCCc2cc(N)ccc21)c1ccccc1 834943498 BVWXGHXXWIRXNU-ZDUSSCGKSA-N 279.387 3.660 30 20 CHED CC(C)(C)C#CC(=O)NC(C)(C)c1cccc(Cl)c1F 837537590 GUFLLJVIPVQFGI-UHFFFAOYSA-N 295.785 3.880 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)c(O)c1C 834901798 BVKRXAJCPSVAIC-ZDUSSCGKSA-N 298.361 3.871 30 20 CHED C#CCCCCCCN[C@H](C(=O)O)c1cccc(C)c1C 901853338 LADUIPIOVLMMIU-KRWDZBQOSA-N 287.403 3.602 30 20 CHED FC(F)(F)CON=C1CCC(OC2CCCC2)CC1 834962970 ICIFCOIXHDIWCH-UHFFFAOYSA-N 279.302 3.823 30 20 CHED CCOC(=O)C(C)(C)ON=Cc1csc2ccccc12 835005951 UFDXAMPOHCXGMG-UHFFFAOYSA-N 291.372 3.594 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)sc1C 839044992 RNXFPNRUBURDRP-VXGBXAGGSA-N 263.362 3.604 30 20 CHED Cc1cccc(Cl)c1NN=C1CCCN(C)CC1 835012178 XTLWAMBXSUQFHP-UHFFFAOYSA-N 265.788 3.532 30 20 CHED CC(=NNc1cnnc2ccccc12)c1ccc(F)cc1 733749943 GJBNWSGAQCVPJA-UHFFFAOYSA-N 280.306 3.605 30 20 CHED N#CCC[C@H](NC(=O)c1occ2c1CCC2)c1ccccc1 586800405 MSCVIRUFBVCMHB-INIZCTEOSA-N 294.354 3.543 30 20 CHED COc1cccc(C(=O)/C=C\c2c(F)cccc2F)c1 916137046 DJNDWKRFIOXECU-HJWRWDBZSA-N 274.266 3.870 30 20 CHED Cc1ccc(C=NNCc2cccc3cccnc23)c(C)c1 915958925 AQXBBVQWESMZSL-UHFFFAOYSA-N 289.382 3.975 30 20 CHED C=C(C)CNc1ccccc1Oc1ncccc1C#N 917812670 ACLDXIFDPWQGBZ-UHFFFAOYSA-N 265.316 3.734 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc(OC)c1C 598824097 WBROMOCHWIUGFL-UHFFFAOYSA-N 288.391 3.596 30 20 CHED CCC(C#N)(CC)C(=O)NCCCCC(C)(C)C 599336496 OBCNEXASYZYQNX-UHFFFAOYSA-N 252.402 3.649 30 20 CHED C#CCOc1ccc(NC(=O)N[C@H](C)C[C@H](C)CC)cc1 743152577 ZZMASRVITNMGHJ-ZIAGYGMSSA-N 288.391 3.645 30 20 CHED N#Cc1ccnc(N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 599119239 RLPBUCYQLOYFDE-CQSZACIVSA-N 299.324 3.615 30 20 CHED C=CCCCC(=O)OCC(=O)Nc1ccc2ccccc2c1 748239289 DYMUJIZIDWPJER-UHFFFAOYSA-N 297.354 3.678 30 20 CHED CC(C)CC(CC(C)C)NC(=O)N1CCC[C@@H](CC#N)C1 595487193 DSRBCDDGDSWFQR-HNNXBMFYSA-N 293.455 3.782 30 20 CHED CN(C)Cc1ccc(-c2ccc(CC#N)s2)cc1F 592986912 NDQDNYSHEUTEGB-UHFFFAOYSA-N 274.364 3.682 30 20 CHED CON=Cc1c(C(C)C)nn(-c2ccccc2)c1Cl 914560234 UIYXOUHZUIJMDI-UHFFFAOYSA-N 277.755 3.629 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(C)s1 742375219 AJKULOJBWACYDS-UHFFFAOYSA-N 275.348 3.820 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)C(C)C 743755374 XGSAJOJJAGNELU-IEBWSBKVSA-N 283.415 3.704 30 20 CHED CCOc1ccc(/C=N\Cc2ccccc2COC)c(O)c1 914557774 KEEGTRSEHLWPSK-UNOMPAQXSA-N 299.370 3.556 30 20 CHED c1ccc([C@H]2CCCCC2=NNc2cnccn2)cc1 912962132 LODVPWJCDWUGDF-CQSZACIVSA-N 266.348 3.602 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)Cc1ccon1 740036361 RNMYKOZRCHGTJC-AWEZNQCLSA-N 295.427 3.813 30 20 CHED CCOc1cccc(/C=N\C[C@@H](C)CC(F)(F)F)c1O 840714184 YBRPGFQZQBLMEX-OAOMGELKSA-N 289.297 3.798 30 20 CHED CC[C@H](C)c1ccccc1OCC(=O)OCCCCC#N 914620564 ITZHHGPOHMWWSA-AWEZNQCLSA-N 289.375 3.816 30 20 CHED Clc1nc2ccccc2cc1C=NOCc1cccnc1 746587662 DRSAJVJMUGTGGT-UHFFFAOYSA-N 297.745 3.834 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNCc2ccc(F)c(F)c2)o1 915976573 MUTDEYRSRZJMCG-MFKMUULPSA-N 290.313 3.805 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(N=S(C)(C)=O)c1 848215257 BLWWBEYQJPYVFY-HNNXBMFYSA-N 294.420 3.587 30 20 CHED CC[C@@H](C)N(CC)Cc1ccc(C#N)cc1OC(F)F 595593685 SOWLUFUWRIWRAN-LLVKDONJSA-N 282.334 3.780 30 20 CHED CCOc1cccc(C(C)=NNc2cccc([N+](=O)[O-])c2)c1 743526017 NARHVSMIINVTLR-UHFFFAOYSA-N 299.330 3.830 30 20 CHED C#C[C@H](NC(=O)[C@@H]1CCC(C)=C(C)C1)c1ccccc1 843639217 GUEOGLZURGTUHA-SJORKVTESA-N 267.372 3.614 30 20 CHED CC(C)COc1ccc(C(=O)OCCCCC#N)cc1 912956284 YBUZNYCKIKOJIB-UHFFFAOYSA-N 275.348 3.572 30 20 CHED CCCn1c(C(=O)N(C2CC2)[C@@H](C)C#N)cc2ccccc21 598137866 NRXOEIXDNOZDBQ-ZDUSSCGKSA-N 295.386 3.568 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H]([C@H](C)O)C1 747393737 FHEWGMWPKJFHPP-JKSUJKDBSA-N 298.471 3.539 30 20 CHED C[C@H](CCC#N)CN1CCC(OCc2ccccc2)CC1 590593369 QGTHGIAHJQISQQ-MRXNPFEDSA-N 286.419 3.607 30 20 CHED N#CCCCCOC(=O)/C=C\c1ccc(Cl)cc1 912956606 NBCJOEVREGNCSR-TWGQIWQCSA-N 263.724 3.590 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](c1cccc(Cl)c1)C(C)C 594097526 OIEJHYZALKRTMO-GJZGRUSLSA-N 292.810 3.840 30 20 CHED Cc1c(F)ccc(Cl)c1NCC1(CC#N)CC1 594707443 NQBDXEXQGAARCV-UHFFFAOYSA-N 252.720 3.893 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)CCCc2ccccc2)n1 598852171 GUTVBIKWUUXUKO-UHFFFAOYSA-N 293.370 3.532 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1ccccc1Cl)CC1CC1 593698796 SSCMATJAZFHMAW-ZDUSSCGKSA-N 290.794 3.628 30 20 CHED Oc1ccc(Cl)cc1/C=N\C[C@@H]1CCOC2(CCC2)C1 840708161 USEFJKXWBWSDFA-OTWJJXBCSA-N 293.794 3.814 30 20 CHED CC(=O)c1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)s1 748677728 RYLGTFZFFGTJIY-LLVKDONJSA-N 299.351 3.740 30 20 CHED C=CCCSCC/N=C/c1cc(Cl)ccc1O 849170341 OERWVGKHGLOVTI-XNTDXEJSSA-N 269.797 3.774 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccccc1F 743449641 BKHCOOJWTJZZOD-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 593504646 IOWXPTPXGOKXCQ-JHJVBQTASA-N 292.810 3.840 30 20 CHED COc1ccccc1C(C)=NNc1ccc(F)cc1 916268008 DDFIRAZNPLOVRE-UHFFFAOYSA-N 258.296 3.670 30 20 CHED CC[C@H](Oc1ccccc1Cl)C(=O)OCCCCC#N 749037933 YLSGSIGULPRFLQ-ZDUSSCGKSA-N 295.766 3.734 30 20 CHED COc1ccc([C@H](C)/N=C\c2cc(OC)ccc2O)cc1 745624370 JYTWDQQARMWCFF-SJWFJVLYSA-N 285.343 3.590 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 593700671 XVHYZFPYYBIHKK-LZWOXQAQSA-N 270.376 3.536 30 20 CHED CCC(=NNc1ccc(OC(F)F)cc1)[C@H]1CCOC1 741839505 IPNAGPJPGNEBCC-JTQLQIEISA-N 284.306 3.502 30 20 CHED N#CCOC(=O)C1(Cc2cccc(Cl)c2)CCCC1 745161580 ILVWSYGVEYIADJ-UHFFFAOYSA-N 277.751 3.510 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ncco1 925755945 SNSYVTFITXWGGP-GFCCVEGCSA-N 271.320 3.530 30 20 CHED COc1ccccc1/C=C1\Cc2c(F)cc(F)cc2C1=O 751535192 IBMSVFLFCYGWLW-IZZDOVSWSA-N 286.277 3.796 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(F)c(C)cc2F)c1 757647221 ZILKQDGYQAVCQX-UHFFFAOYSA-N 299.320 3.921 30 20 CHED C=C(C)COCCN[C@H](C)c1cc(C)c(OC)cc1C 753684690 AVXWLSFTJPPDPK-OAHLLOKOSA-N 277.408 3.555 30 20 CHED C=CCC[C@H](NCCc1nc2c(s1)CCC2)C1CC1 926932400 WSZDTPSLUKMRST-ZDUSSCGKSA-N 276.449 3.509 30 20 CHED O=[N+]([O-])c1cccc(C=NNc2cccc(Cl)c2F)c1 921137891 RWASSEHQVIJNRJ-UHFFFAOYSA-N 293.685 3.833 30 20 CHED Fc1ccc(/C=C\C=NN=c2cc[nH]cc2Cl)c(F)c1 758124748 ORDXHCRPXIZSII-QHFOAYFMSA-N 293.704 3.546 30 20 CHED CCC[C@@H](NCC1(C#N)CCC1)c1ncccc1Cl 926623162 BNBQZGNFESPUJA-CYBMUJFWSA-N 277.799 3.860 30 20 CHED N#CCCOc1ccc(-c2cnn([C@@H]3CCCCO3)c2)cc1 854207942 RFFPNQHXJJPPEU-KRWDZBQOSA-N 297.358 3.542 30 20 CHED CC(C)c1ccc([C@@H](C)OC(=O)c2cc(C#N)c[nH]2)cc1 754838653 ZKOLQGNFSFSVSF-GFCCVEGCSA-N 282.343 3.928 30 20 CHED C=CCc1cc(CN(CC=C)C(C)C)c(O)c(OC)c1 754727039 GZXVPTWZZSZBGM-UHFFFAOYSA-N 275.392 3.526 30 20 CHED C#CCOc1ccc([C@@H](C)NCCCOC(C)(C)C)cc1 850526932 TVCJFXVTAZIOID-OAHLLOKOSA-N 289.419 3.554 30 20 CHED C=CCCCc1nc(-c2ccc(OC)cc2C)no1 858837442 OZABJFSKGKKXMG-UHFFFAOYSA-N 258.321 3.562 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCCS1 756980677 VKIABPSZNFEYII-ZDUSSCGKSA-N 257.443 3.749 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cccc(F)c1F 925666354 RVQPHBNQICAIRP-QWRGUYRKSA-N 266.335 3.944 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)s2)c(O)c1 757471664 IRNNYRQXUDOGSE-VURMDHGXSA-N 274.341 3.667 30 20 CHED C#CC[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 757595605 AXFYOQOZCYBFTD-LJQANCHMSA-N 291.394 3.890 30 20 CHED CC(C)(C#N)CCCCOc1cnc(Cl)c(F)c1 850002040 ZZHQUSLDPVFISJ-UHFFFAOYSA-N 270.735 3.973 30 20 CHED Cc1ccc(C=NNc2ccccn2)c(Br)c1 753688994 JPBACHMAFPHGJA-UHFFFAOYSA-N 290.164 3.599 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc2c(c1)CCCO2 853336198 RCQPLHBVRSWNRC-UHFFFAOYSA-N 287.281 3.705 30 20 CHED CCCOc1ccc(/C=C2/CCn3nccc3C2=O)c(C)c1 853009003 CRTRPLSOQQKSQH-QINSGFPZSA-N 296.370 3.650 30 20 CHED Cc1ccc(F)c(NN=Cc2csc([N+](=O)[O-])c2)c1 759652654 LCHONJRZGXRLHR-UHFFFAOYSA-N 279.296 3.550 30 20 CHED C#CCCN[C@H](C)c1sc(-c2ccccc2)nc1C 754677793 WGWFKAUBWJYBFC-GFCCVEGCSA-N 270.401 3.792 30 20 CHED C=C[C@H](OC(=O)[C@H](C)C(F)(F)F)c1ccccc1 851452417 RYDSRHFVVOXRJU-ONGXEEELSA-N 258.239 3.655 30 20 CHED CC(C)(C#N)CCCN1CCSC[C@@H]1C(C)(C)C 931590611 CXHWXKZZTOFICN-CYBMUJFWSA-N 268.470 3.780 30 20 CHED Cc1ccc(C)c(OC(=O)c2ccc(CC#N)cc2)c1C 759751882 AYTKKWQSOUREDO-UHFFFAOYSA-N 279.339 3.897 30 20 CHED N#Cc1ccccc1/C=C1\C(=O)Nc2ccc(Cl)cc21 755569266 HAWWGMLTALULGV-AUWJEWJLSA-N 280.714 3.704 30 20 CHED CC(C)OC(=O)O[C@H](C)Sc1ccc(C#N)cc1F 756950337 CZBNVGDEQPFZGU-VIFPVBQESA-N 283.324 3.697 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(CC1CC1)C(C)C 930459073 SOZXQNRTJNJSDA-UHFFFAOYSA-N 271.364 3.519 30 20 CHED Fc1cccc(NN=Cc2cc(F)cc3cccnc23)c1 760254214 SQMVTOLWVKGURW-UHFFFAOYSA-N 283.281 3.959 30 20 CHED COCCOc1ccc(NCc2ccc(C#N)c(C)c2)cc1 767681265 LRLCCCMMOOTNFE-UHFFFAOYSA-N 296.370 3.504 30 20 CHED CCC[C@@H](C=NN=C(C)c1cnccn1)c1ccccc1 769586758 SIQRFDCCKZMAOE-INIZCTEOSA-N 280.375 3.855 30 20 CHED C#CCC(C)(C)C(=O)Nc1cnn([C@H](C)CC)c1C1CC1 767097160 NMKVEJVKJZQARQ-GFCCVEGCSA-N 287.407 3.720 30 20 CHED C=CC[C@H]1N(C(=O)/C=C\c2ccc(O)cc2)CCCC1(C)C 769642473 JLTUKPYVTMBZPP-QJWNTBNXSA-N 299.414 3.999 30 20 CHED CCC(CC)NN=C(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 761267966 XVSOUOBUAPBVGD-LBPRGKRZSA-N 291.395 3.928 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)c(C#N)c1)C1CCCCC1 766469587 QHXIRSDQFHFLFR-UHFFFAOYSA-N 295.386 3.975 30 20 CHED CC(C)(C#N)CCCCOC(=O)/C=C\c1ccccc1 768374235 QUULSVGTQBHHEQ-KHPPLWFESA-N 271.360 3.963 30 20 CHED Cc1ccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)c(C)c1 769823398 WHWICNIEGGDIGG-UHFFFAOYSA-N 287.294 3.797 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1C#N 766483921 HRNGXONAFATPCY-YCRREMRBSA-N 265.287 3.902 30 20 CHED C#CCCCOC(=O)c1cc(C)cc(C)c1Br 764630026 RRQRSBQRZCJCLD-UHFFFAOYSA-N 295.176 3.636 30 20 CHED CC(C)CC1CCN(C(=O)C2(C#N)CCCCC2)CC1 760939575 BMIGJGVJWUWKOV-UHFFFAOYSA-N 276.424 3.745 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)CC#Cc1ccccc1 1116269590 VMORTWDCWWSUSW-MSOLQXFVSA-N 283.415 3.903 30 20 CHED Cc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)cnc1Cl 760264656 KXMSPVQDHXAIQP-SNAWJCMRSA-N 289.766 3.717 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 775824397 HAEYOERIFCWCGB-WMZOPIPTSA-N 284.403 3.924 30 20 CHED C#CCCCCCC(=O)N(CC(C)C)C1CCCC1 779824870 HAABTMGTGACGAN-UHFFFAOYSA-N 263.425 3.997 30 20 CHED N#CCCCC(=O)NCC1(c2cccc(Cl)c2)CCC1 871573330 UKQWCLOAZLILMW-UHFFFAOYSA-N 290.794 3.572 30 20 CHED C=CCOCCN1C[C@H]2CCCC[C@@]21c1ccccc1 1117788113 HFCVSEHIOQFULI-QZTJIDSGSA-N 271.404 3.590 30 20 CHED C=C(C)[C@@H](NC(=S)N[C@H](C)CC)c1ccc(F)c(F)c1 774207115 RJRASGUZBILTBX-QMTHXVAHSA-N 298.402 3.845 30 20 CHED CCc1cnccc1C/N=C\c1cc2ccccc2nc1O 778518332 OVMWXWWFVHFPOQ-NDENLUEZSA-N 291.354 3.517 30 20 CHED CCCc1cccc(/C=C/C(=O)c2ccncc2)c1 774106274 PCDWDUIPAXUSOX-BQYQJAHWSA-N 251.329 3.930 30 20 CHED COC(=O)c1cccc(NN=Cc2cscc2Cl)c1 779825891 BGINRWXCEMAUCA-UHFFFAOYSA-N 294.763 3.634 30 20 CHED CCCCc1ccc(C(C)=NNC[C@@H](C)C#N)cc1 771107279 LLKKVENSPYJYGG-ZDUSSCGKSA-N 257.381 3.502 30 20 CHED CCC(=NN[C@@H]1CCCCC1(C)C)C1CCOCC1 773126039 RASQIKXRGOFMLA-OAHLLOKOSA-N 266.429 3.737 30 20 CHED CO[C@@H]1CCCCC1=NNc1nc2ccccc2cc1C 776782250 GSGSHSQXLPCDHZ-MRXNPFEDSA-N 283.375 3.900 30 20 CHED C[C@H](NCC1CCC(C#N)CC1)c1c(O)cccc1F 886605467 RNSQPRVBLMETEL-HIFPTAJRSA-N 276.355 3.512 30 20 CHED CC(=NNc1cccc(Cl)c1)[C@H]1CCCOC1 779752170 IRRYSRODKJFFFO-NSHDSACASA-N 252.745 3.554 30 20 CHED C[C@H](NN=CCCc1ccc2c(c1)CCO2)c1ccccc1 774375930 WQYZIICTXIFWEV-HNNXBMFYSA-N 294.398 3.891 30 20 CHED CC(C)(C)c1ccccc1C(=O)OCC1(CC#N)CC1 771616638 FALQUUVIGJYQKG-UHFFFAOYSA-N 271.360 3.835 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(Br)c(C#N)c1 690186713 QMKWARCIHRBNOG-SECBINFHSA-N 295.180 3.695 30 20 CHED C=C1CCC(C(=O)N2CCCO[C@@H](c3ccccc3)C2)CC1 888825194 HDTPQMFAMZTKOQ-GOSISDBHSA-N 299.414 3.723 30 20 CHED COc1ccc(NN=C2CCC(C(C)C)CC2)nc1 780268065 CWSXNFAYNCROIH-UHFFFAOYSA-N 261.369 3.704 30 20 CHED O=C(O)c1ccc(C=NNc2cccc(F)c2)c(Cl)c1 783831008 GGVGYPAHXNTXAU-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N[C@@H](C#N)CCC 782547255 VLGCPMKEZCNJIL-UKRRQHHQSA-N 252.402 3.791 30 20 CHED C=CCCCCCOC(=O)c1cc([N+](=O)[O-])ccc1F 782993275 JTGGIIWIXTYJAU-UHFFFAOYSA-N 281.283 3.637 30 20 CHED Fc1ccc([C@@H]2CCCC2=NOC[C@@H]2CCOC2)cc1 788029153 CXFVDVMHNHAAFT-DOMZBBRYSA-N 277.339 3.502 30 20 CHED C#CCC1(C(=O)NCC2(C3CC3)CCC2)CCCCC1 788234976 PHHPHYAGVGZBDH-UHFFFAOYSA-N 273.420 3.657 30 20 CHED CCC1(CC)CCN(C(=O)c2cc(C#N)ccc2C)CC1 1138405857 RMSNXFVWQDLUNA-UHFFFAOYSA-N 284.403 3.909 30 20 CHED CO[C@@H](C(C)=NNc1ccc(C#N)cc1)c1ccccc1 782199703 NZBFECNZUPXTQZ-KRWDZBQOSA-N 279.343 3.734 30 20 CHED CCCCC[C@@H](NC(=O)N1CC[C@](F)(C#N)C1)C(C)(C)C 786122578 UMNAMCKFMMZSDG-CJNGLKHVSA-N 297.418 3.629 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ccnc(F)c1)CCO2 781127405 MHMSOBHUVBYGHG-UHFFFAOYSA-N 299.349 3.943 30 20 CHED O=C1/C(=C\c2ccc3cnccc3c2)Cc2c(O)cccc21 782322300 GNBAVPRYMCWHMW-DHDCSXOGSA-N 287.318 3.763 30 20 CHED C=CCSCCN[C@H](c1ccccc1)C1CCOCC1 782763736 GPXNRVXWYXOIJM-QGZVFWFLSA-N 291.460 3.663 30 20 CHED C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(C#N)cc1Cl 892911217 WXWCYIAQQWVVFE-HZMBPMFUSA-N 290.750 3.729 30 20 CHED C/C(C=NN[C@H]1CCOC(C)(C)C1)=C/c1ccccc1 780251296 UAERAUBGFJTMDR-KADGKHCLSA-N 272.392 3.623 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1ccccc1F 782416684 AJVGYLSOZFISNH-NSHDSACASA-N 264.369 3.563 30 20 CHED CC/C(C)=C(/C)C(=O)O[C@H](C)c1cccc(C#N)c1 784612126 FYOKPJOQLIIPTQ-YLGBQOPLSA-N 257.333 3.909 30 20 CHED Fc1cccc(NN=Cc2cnc(-c3ccco3)s2)c1 782201594 PUTACAXBTAKRHY-UHFFFAOYSA-N 287.319 3.988 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(=O)oc2cc(C)ccc12 785997760 RZBRCBSVQKUQQB-OAHLLOKOSA-N 283.371 3.642 30 20 CHED COc1ccccc1CCCNc1ccc(C#N)cc1 76286964 QIDPXPRLESTIQP-UHFFFAOYSA-N 266.344 3.612 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNc1nc2ccccn2n1 790197180 MHNYTOGUVZFWEE-ZDUSSCGKSA-N 285.395 3.734 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(Cl)o2)c1 103028401 WSXKVDLOQXCAIZ-UHFFFAOYSA-N 273.719 3.581 30 20 CHED C=CCC(C)(C)C(=O)Oc1cccc(Cl)c1F 797117107 BSOFUYXORQIULQ-UHFFFAOYSA-N 256.704 3.987 30 20 CHED O=C(/C=C/c1ccsc1Cl)c1cc(O)ccc1O 790222122 NUPVNHVWEZUNFB-HNQUOIGGSA-N 280.732 3.709 30 20 CHED C=CCN(C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1)C(C)C 798115752 CCDKVUHONRNOHL-KOMQPUFPSA-N 290.382 3.678 30 20 CHED CSCCON=Cc1c(Cl)oc2ccccc12 794577488 VDBRLKMPINGTDB-UHFFFAOYSA-N 269.753 3.800 30 20 CHED CCC(=NNc1cccc(Cl)n1)c1ccc(C#N)cc1 793173984 GNNZWRCRKAUZKV-UHFFFAOYSA-N 284.750 3.833 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc(F)cc1C 799884318 BNLLQPLPMUBOLN-GFCCVEGCSA-N 264.344 3.739 30 20 CHED C#C[C@@H](NC(=O)C[C@H](c1ccccc1)C(C)C)C(C)C 799048542 NNNOHPOFUMIVTC-DLBZAZTESA-N 271.404 3.590 30 20 CHED CCCCO[C@H]1CC(=NNc2ncccc2F)C1(C)C 794983569 HYVDDARSVFRKOM-ZDUSSCGKSA-N 279.359 3.604 30 20 CHED C=CCNC(=S)Nc1ccc2nc(C(F)F)sc2c1 795153558 FADOHWCSNLVSDJ-UHFFFAOYSA-N 299.371 3.706 30 20 CHED CCCCSCC(=O)N(CCC#N)c1ccc(F)cc1 797726520 IDSRUYXEEVDZJO-UHFFFAOYSA-N 294.395 3.606 30 20 CHED CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCC(C)(C)C1 794269198 FCEBEAQDZLUVSM-FDMDGMSGSA-N 282.387 3.609 30 20 CHED Cc1cccnc1NN=Cc1ccc(F)cc1Cl 790190105 FPPKUQZRFHSDBQ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@@H](O)c1ccc(C)cc1 797064320 TUMUCNZJPZSWTJ-LJIGWXMPSA-N 261.409 3.607 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 195476698 YJTUNEKQVXJDIA-GMXVVIOVSA-N 288.778 3.976 30 20 CHED CCC[C@H](NC(=O)Nc1cc(C)c(C#N)cn1)C(C)(C)C 1219692432 NPDYDEDYXPXBNI-ZDUSSCGKSA-N 288.395 3.598 30 20 CHED C[C@H]1CC(Nc2ccc([N+](=O)[O-])cc2C#N)C[C@H](C)C1 84439000 ODTONDLGCVDGKK-GHMZBOCLSA-N 273.336 3.703 30 20 CHED C=CCCOCCN[C@@H](C)c1oc2ccccc2c1C 90883708 ZVOUCCWVGIGPMH-AWEZNQCLSA-N 273.376 3.985 30 20 CHED C[C@@H](CCc1ccccc1)NCc1cc(C#N)cs1 93492023 JVYZAOAPLUYITF-ZDUSSCGKSA-N 270.401 3.731 30 20 CHED COc1cc(C#N)ccc1COc1ccc(Cl)c(F)c1 1307325412 LATARKSGGSABEE-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1ncc(C#N)cc1F 1307133822 YBHCFBGBDYKGJU-YPMHNXCESA-N 275.371 3.743 30 20 CHED N#Cc1nc(N2Cc3cccc(Cl)c3C2)sc1Cl 1164303344 RNVXNFISRZVKSU-UHFFFAOYSA-N 296.182 3.842 30 20 CHED C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cn1 1318281022 UNMLBVOPFDCAJD-UWWQBHOKSA-N 298.430 3.501 30 20 CHED Cc1c(C#N)cccc1C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 1321406413 TUONWEXFDTWVQA-MEDUHNTESA-N 294.354 3.513 30 20 CHED COc1ccccc1CON=Cc1csc(C(C)C)n1 1321332476 PBLQTUZHPZXAEP-UHFFFAOYSA-N 290.388 3.826 30 20 CHED Cc1ccn(CC2CCC(C(C)(C)C)CC2)c(=O)c1C#N 1189103736 NENZSEPTVVKTGI-UHFFFAOYSA-N 286.419 3.881 30 20 CHED C#CCN(Cc1nc(C)sc1C)[C@@H]1CCc2ccccc21 1320076666 PHLWRIFDMOIDMZ-GOSISDBHSA-N 296.439 3.883 30 20 CHED N#Cc1cnnc(Sc2ccc3c4c(cccc24)CC3)c1 1187390288 GOHSAZDSELLSMT-UHFFFAOYSA-N 289.363 3.751 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2cc(C)ccc2s1 1340892763 NAYBRNOCFIESJO-CYBMUJFWSA-N 286.400 3.974 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCc2cnoc2C2CC2)n1 1262029328 UELQCNKVQOVBTE-UHFFFAOYSA-N 297.358 3.695 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1nc2ccccc2n1C(F)F 1348454129 MOBKODWRFMIVRO-GHMZBOCLSA-N 292.333 3.774 30 20 CHED C=C(C)CCC(=O)OCc1cnc(-c2cccs2)o1 1346145077 ZCYGMFXHKBQVIX-UHFFFAOYSA-N 277.345 3.803 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)NC/C=C/Cl 1289555315 VXNTWPPTGOSYBH-BJMVGYQFSA-N 296.757 3.708 30 20 CHED CC[C@@H](C(=O)N(C)c1ccc(C#N)cc1)c1ccc(F)cc1 1360939011 CGKCFIXAYBZMJL-QGZVFWFLSA-N 296.345 3.854 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(C)CC1CCC1 1286627459 FNPGMANHNNXKIB-UHFFFAOYSA-N 294.830 3.534 30 20 CHED Cc1cc(C)c(C(=O)OCc2cc(C#N)ccc2F)c(C)c1 1457382834 GUNRJBDWVHTITK-UHFFFAOYSA-N 297.329 3.980 30 20 CHED N#C[C@@H](C(=O)[C@@H](c1ccccc1)C1CC1)c1cccc(F)n1 1524711897 MCLBCDFYWCNUHO-PBHICJAKSA-N 294.329 3.591 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H]1c1ccccc1OC 1527651355 CQLCFVKZFVZZFR-INIZCTEOSA-N 287.403 3.961 30 20 CHED C[C@@H]1CC[C@H](OC(=O)[C@]2(C#N)CC23CCCC3)[C@H](C)C1 1522700922 OCSJFZKXXUNDFG-VWPFQQQWSA-N 275.392 3.828 30 20 CHED Cc1cc(C(C)(C)C)cc(C)c1Cn1cc(C#N)ccc1=O 1459132003 YSTNVGSALPEEFY-UHFFFAOYSA-N 294.398 3.683 30 20 CHED CCC(C#N)(CC)C(=O)N1CCCc2cc(Cl)ccc21 1459379299 WEQOWZSSLKBQPS-UHFFFAOYSA-N 290.794 3.949 30 20 CHED N#Cc1ccc(F)c(C(=O)N(c2ccccc2)C2CC2)c1 1526049602 VJPCYDALZKXBGU-UHFFFAOYSA-N 280.302 3.507 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 1526199888 HYBQRWZOSXTIHD-YEWDVWPNSA-N 296.370 3.526 30 20 CHED C[C@@H](CCNC(=O)c1cc(C#N)ccc1F)c1ccccc1 1524365464 SEICEEDHNDSQBM-ZDUSSCGKSA-N 296.345 3.621 30 20 CHED COc1cc(NC(=O)c2cccc(C)c2C)c(F)cc1C#N 1461824411 FIGFOQJJJSWIKM-UHFFFAOYSA-N 298.317 3.575 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2C(C)=O)CC1 1460128329 DAWIAUYKLSASHL-CTYIDZIISA-N 298.386 3.916 30 20 CHED Cc1nsc(N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1C#N 1472804239 VEVWSZSEQCNKFX-NWDGAFQWSA-N 293.436 3.717 30 20 CHED N#Cc1cc(=N[C@@H](CC2CCC2)c2ccccc2)cc[nH]1 1472747657 YVHPMPDGUZJGCN-SFHVURJKSA-N 277.371 3.719 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1ccccc1)c1ccccc1 1544989545 GSGQBUHHRHFFJZ-INIZCTEOSA-N 278.355 3.770 30 20 CHED C=C(CC)C(=O)Nc1cccc2c1CN(c1nccs1)C2 1548676826 GKUDQTGLSPEBKL-UHFFFAOYSA-N 299.399 3.568 30 20 CHED Cc1nnc(S[C@@H]2CCOc3ccccc32)c(C#N)c1C 1559134617 CCSQXUNLPYKODC-OAHLLOKOSA-N 297.383 3.581 30 20 CHED C[C@@H](C#N)CN(C)c1nc2c(F)cc(Cl)cc2s1 1559069646 YRMAYKNCUAGPNF-ZETCQYMHSA-N 283.759 3.685 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NCc1cccc(F)c1C#N 1621376445 BVLXFCUCJSZZMQ-MLGOLLRUSA-N 260.356 3.756 30 20 CHED C=C(C)COCCNc1ccc(C#N)c(C(F)(F)F)c1 228354704 XYFFHMOMYXDNFR-UHFFFAOYSA-N 284.281 3.582 30 20 CHED CCc1ccc2c(c1)CCN(CCCC(C)(C)C#N)C2 1648662061 VGDMNKXMDXCLSQ-UHFFFAOYSA-N 270.420 3.937 30 20 CHED Cc1cc(Oc2ncc(C#N)cc2F)ccc1Cl 1641975373 BIEUTGJRCFJQIB-UHFFFAOYSA-N 262.671 3.847 30 20 CHED CCSc1ccccc1CN(CCC#N)CC1CC1 1657467483 YJGRXHZWSYBINR-UHFFFAOYSA-N 274.433 3.924 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(=O)O)s2)CCCCC1 1588764508 BZDLJUTVXZYNIH-UHFFFAOYSA-N 293.388 3.911 30 20 CHED CC(C)C1(C)CCN(Cc2cccc(C#N)c2F)CC1 1653356880 BGGICQHFOZUWQT-UHFFFAOYSA-N 274.383 3.955 30 20 CHED C=C(Cn1c(C)nnc1N1CCCCCC1)c1ccccc1 1593782281 LSSHFWYDSIGRRL-UHFFFAOYSA-N 296.418 3.680 30 20 CHED C=CCON=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1 1776060134 FVUTWZNQTLMSHC-UHFFFAOYSA-N 281.311 3.588 30 20 CHED O=C(O)c1cccc(NN=C2C[C@H]3CC=CC[C@@H]3C2)c1 1776038384 HSFMKPBLYHJQRU-VXGBXAGGSA-N 270.332 3.529 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)cc2)c2ccccc2n1 15566861 FKSULMBFTAOCSC-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(C)c1 15682877 XYSNQZROVLWMPR-CQSZACIVSA-N 294.354 3.581 30 20 CHED C#CCCCOc1ccc(Br)cc1C 161070594 HMFMQIOFMNFZNL-UHFFFAOYSA-N 253.139 3.550 30 20 CHED C[C@H](NCCCCC#N)c1ccc2c(c1)CCCC2 162043768 HZHQIIKGIPKHEF-AWEZNQCLSA-N 256.393 3.910 30 20 CHED CN(Cc1ccsc1)Cc1ccc(C#N)cc1Cl 162866996 FQVPIZCLIPLMQX-UHFFFAOYSA-N 276.792 3.905 30 20 CHED CCCn1nc(C)c(/C=C2/Cc3cc(F)ccc3C2=O)c1C 160719876 NYRYGSGSWIUXKV-UVTDQMKNSA-N 298.361 3.871 30 20 CHED N#CCCCCNCc1cc(Cl)cc(Cl)c1 163863556 LOGYTYVGXXMSCK-UHFFFAOYSA-N 257.164 3.777 30 20 CHED CCCCCCCC(=O)Nc1ccc(OC)nc1C 205926961 URLGSELFHUXGOS-UHFFFAOYSA-N 264.369 3.698 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccc(F)c(F)c1 151971722 LORWIGSNQZAWNO-SECBINFHSA-N 271.332 3.601 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccc(OCC)cc1 151971314 YQLQUQBKGQCLGN-GFCCVEGCSA-N 279.405 3.722 30 20 CHED CC1(C)CCC(CC(=O)[C@@H](C#N)c2ccccn2)CC1 152258817 FQTIVPUQSRRUPR-AWEZNQCLSA-N 270.376 3.864 30 20 CHED CC(C)(C#N)CCCNc1ccc(O[C@H]2CCOC2)cc1 154092462 FPAVBXDZVNEHHF-INIZCTEOSA-N 288.391 3.596 30 20 CHED CC[C@H](C#N)OC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 156561861 HIDRGTSEODWDNT-XHSDSOJGSA-N 295.423 3.987 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccc2c(c1)OCO2 209917673 PGBCJSHSHGQUTK-XQRVVYSFSA-N 288.249 3.590 30 20 CHED CC[C@@H]1CN(CCCCC(C)(C)C#N)CCS1 233909005 ZQGOFUBINBBWMY-CYBMUJFWSA-N 254.443 3.534 30 20 CHED CC1(C)CC(Nc2ncccc2C#N)CC(C)(C)C1 125660279 VCFRATCUNLVQNH-UHFFFAOYSA-N 257.381 3.970 30 20 CHED C=CCN(Cc1cc(F)cc(C(C)=O)c1O)C(C)(C)C 852554934 YTXUIMWXEKPGEU-UHFFFAOYSA-N 279.355 3.520 30 20 CHED CCOc1cc(NCc2ccc(C#N)s2)ccc1C 269317047 MLZVCFUEHGXRPX-UHFFFAOYSA-N 272.373 3.939 30 20 CHED CC[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 159730560 CHWKPWCWSIPRQQ-SNVBAGLBSA-N 268.282 3.813 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(Cl)cc2OC)c1 43566243 DJGWGUNWBHMXCH-UHFFFAOYSA-N 285.730 3.582 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc(F)c(Cl)cc1Cl 183867089 VTKZMOXUQWSOLN-SSDOTTSWSA-N 289.137 3.555 30 20 CHED CC(C)(C#N)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 187341076 HYNASWZMEWTSJX-STQMWFEESA-N 264.413 3.647 30 20 CHED N#Cc1nccnc1NC1CCC2(CCCCC2)CC1 302779806 QVTDAGHQTJSNJE-UHFFFAOYSA-N 270.380 3.653 30 20 CHED N#CCC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 334262989 JHBKGRSAEHFECJ-UHFFFAOYSA-N 297.185 3.759 30 20 CHED CCC(CC)N(CC)Cc1cc(C#N)ccc1OC 554744225 WAQWJKXHGGJTSX-UHFFFAOYSA-N 260.381 3.577 30 20 CHED Cc1nc(N2CC[C@@H](C3CCCCC3)C2)ccc1C#N 708812757 BJXAIHHBBVFZPM-MRXNPFEDSA-N 269.392 3.668 30 20 CHED Cn1cc(CNCC(C)(C)C2CCCCC2)cc1C#N 480283015 MOTXFVNKBKXKQZ-UHFFFAOYSA-N 273.424 3.593 30 20 CHED C=CC(C)(C)CNCc1ccccc1N1CCCC1 384880008 UFILXOSDLQBWNW-UHFFFAOYSA-N 258.409 3.589 30 20 CHED CCCCCCCC(=O)Nc1ccsc1C(=O)O 59082232 GSXQMRDWMADQMB-UHFFFAOYSA-N 269.366 3.745 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Br)c(C)c1 136167958 JSZIGUNFCXHFOB-CYBMUJFWSA-N 295.180 3.636 30 20 CHED N#Cc1ccc(CCC(=O)Oc2cccc(Cl)c2)cc1 10406308 VDHZNJALWNTKMJ-UHFFFAOYSA-N 285.730 3.750 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1F 117005789 QWFRLIQCBUMSGT-QMMMGPOBSA-N 290.260 3.931 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1cccc(C#N)c1C 178568605 NCUYBBPHSDCYJP-GFCCVEGCSA-N 273.380 3.767 30 20 CHED C#CCCSc1nnc(-c2ccc(C(C)C)cc2)o1 179269103 LZOSRBTUJBNOTD-UHFFFAOYSA-N 272.373 3.975 30 20 CHED CCCCCCC[C@H](C)NC1CCN(CC)CC1 103128429 SJMXPFPRKDLGDV-HNNXBMFYSA-N 254.462 3.809 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 105461111 JCBIPBCALQUIIS-KBPBESRZSA-N 296.370 3.534 30 20 CHED C#Cc1cccc(N(C(=O)c2ccncc2Cl)C(C)C)c1 174312995 FVEPDXQOFMTZNJ-UHFFFAOYSA-N 298.773 3.772 30 20 CHED CCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 56545579 ODHBFXRJYSOLPR-UHFFFAOYSA-N 295.342 3.882 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(CC)CC 62903994 HRPNDIWXAQSQJR-UHFFFAOYSA-N 270.376 3.509 30 20 CHED CSc1cc(C)ccc1C/N=C(/N)Nc1ccc(C)cc1 305049863 ZZOVGWXHZCAYFI-UHFFFAOYSA-N 299.443 3.952 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc3ccccn23)c(C)s1 119120800 OQPCHUSDKBMUBX-VOTSOKGWSA-N 282.368 3.909 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 119573035 CUIVPUOAWWYOLG-INIZCTEOSA-N 272.392 3.745 30 20 CHED CC(C)N(C(=O)[C@@H](C)Sc1cccc(C#N)c1)C(C)C 177100222 VKNMZAATNUTUJP-CYBMUJFWSA-N 290.432 3.684 30 20 CHED N#Cc1ccc(SCc2nc(C3CCCC3)no2)cc1 171793843 UNVFOPAFIOSEOE-UHFFFAOYSA-N 285.372 3.891 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1nc(C)cs1 176964898 RLASTLRHJXOYLE-LBPRGKRZSA-N 277.418 3.626 30 20 CHED CCSCC[C@@H](C)N(C)c1ccc(Cl)c(C#N)n1 301601658 VQDAJMOJSWJJKF-SNVBAGLBSA-N 283.828 3.575 30 20 CHED CCCOc1ccccc1[C@@H](CC(C)C)NCC#N 181718713 RVCDIQWNSXUYJI-OAHLLOKOSA-N 260.381 3.676 30 20 CHED CCCCCCCCCNCc1cn(C)nc1C 123602270 TZBUNATWLYYDOT-UHFFFAOYSA-N 251.418 3.569 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(C#N)CC1 171471909 TUXRLQBNRFTQRA-JKSUJKDBSA-N 291.439 3.536 30 20 CHED N#Cc1cc(F)ccc1NCc1cccc(OC(F)F)c1 301419664 RUTUXYJFBQFWMH-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CC(C)(C)c1ccc(NC(=O)NCCCCC#N)cc1 170902842 YZCPZBZASMVZPO-UHFFFAOYSA-N 273.380 3.799 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(C#N)cc1 36173233 DPNXJVKUSYIAFN-LBPRGKRZSA-N 282.318 3.515 30 20 CHED C=CCCC(=O)Nc1cc(C)c(C)c2ncccc12 173122209 YGFUHJAKMMYUNS-UHFFFAOYSA-N 254.333 3.756 30 20 CHED C[C@H](C#N)CNc1nc2cc(C(F)(F)F)ccc2s1 301502670 XZCGIYDMSWTGCN-SSDOTTSWSA-N 285.294 3.887 30 20 CHED C=CCOc1ccc(CNC(CC)(CC)CO)cc1Cl 116347623 KQQWBFFVNKXRNP-UHFFFAOYSA-N 297.826 3.546 30 20 CHED C=C(C)[C@H](Nc1ccc(C#N)cn1)c1ccc(F)c(F)c1 302421842 OIRVNYBZGSGZEC-INIZCTEOSA-N 285.297 3.961 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC2CCC2)c(F)c1 175484596 IPLKXXKQGVZCJU-LLVKDONJSA-N 292.354 3.843 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cccc(Cl)c2Cl)C1 179922955 VJLBDHZBISDWHK-RKDXNWHRSA-N 284.142 3.842 30 20 CHED CCN(C(=O)Nc1ccc(CC#N)cc1)[C@@H](C)C(C)C 65359341 TVZXPFUVCDWPTM-ZDUSSCGKSA-N 273.380 3.651 30 20 CHED CN(CC#N)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 60296210 ZKFFNVKDDHHEST-UHFFFAOYSA-N 288.435 3.943 30 20 CHED N#CC1(C(=O)N2CC[C@H](Cc3ccccc3)C2)CCCCC1 126207788 KOCDQCVWIUPSCU-QGZVFWFLSA-N 296.414 3.552 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cc(Oc2ccccc2)ccn1 176037293 AZERONWWNBBTIV-MRXNPFEDSA-N 296.326 3.579 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)Nc1ccc(C#N)cn1 301454521 RLIAJMSLLFFBCQ-MRXNPFEDSA-N 283.350 3.772 30 20 CHED N#Cc1cc(Cl)ccc1NCCC[C@H]1CCCCO1 302211862 HCCMTBRUXRHZQC-CQSZACIVSA-N 278.783 3.973 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C#N)s1 127583974 PTGAWILURXORFS-DZGCQCFKSA-N 282.412 3.998 30 20 CHED Cc1csc(Sc2ccc(Cl)c(C#N)n2)n1 301558817 SZXWSLHDBMCRCC-UHFFFAOYSA-N 267.766 3.523 30 20 CHED CC[C@H](CC(=O)Nc1ccccc1O[C@@H](C)C#N)C(C)C 182034196 OCXNTGBOHSLBHC-UONOGXRCSA-N 288.391 3.988 30 20 CHED C=CCN(Cc1cc(C(=O)OC)c(C)o1)c1ccccc1 216468677 PIZQPHFPXQNGOK-UHFFFAOYSA-N 285.343 3.567 30 20 CHED C#CCCCCNC(=O)C1(Cc2ccccc2Cl)CC1 187920170 DKKIKKSOAPMXHQ-UHFFFAOYSA-N 289.806 3.582 30 20 CHED COc1cccc(C(C)(C)CNCc2cccc(C#N)c2)c1 121483292 ZEAKLOYGVSHFBL-UHFFFAOYSA-N 294.398 3.634 30 20 CHED CC[C@@H](c1ccncc1)N(C)c1ncc(C#N)cc1Cl 77989722 GQOWBTKPDTUEEK-AWEZNQCLSA-N 286.766 3.589 30 20 CHED CN(Cc1csc2ccccc12)c1ccc(C#N)nc1 301525747 PQLBULAAWWRPPK-UHFFFAOYSA-N 279.368 3.804 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(Oc2cccnc2)cc1 188044070 PLEULXZRKQXVHO-AWEZNQCLSA-N 296.326 3.723 30 20 CHED C=CCC[C@H](NCCc1csc(CC)n1)C1CC1 120857068 DKAPUNNBXDIPGJ-AWEZNQCLSA-N 264.438 3.582 30 20 CHED CCCc1cc(C(=O)N[C@H](C#N)C(C)(C)C)sc1C 122128096 DLFQNEIMEKBGAP-CYBMUJFWSA-N 278.421 3.677 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)[C@H](C)CC)c1ccccc1 187103142 JBISDSNSKIKQTD-FMKPAKJESA-N 259.393 3.897 30 20 CHED CCCCCC[C@@H](C)/C(O)=N/S(=O)(=O)CC(C)C 76910487 RKWJFAXKMHROGA-GFCCVEGCSA-N 277.430 3.535 30 20 CHED C=C(Br)CN[C@@H](C)[C@@H](C)c1ccccc1 125033263 SAQNBYJPQGPYFP-NEPJUHHUSA-N 268.198 3.677 30 20 CHED C=C(C)CN(C)C(=O)C[C@@H](CC)c1ccc(OC)cc1 180413634 SGRBMNNNADSYAB-CQSZACIVSA-N 275.392 3.613 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)CC1CCC1 127801117 MCZKTQOZBHETQS-UHFFFAOYSA-N 272.392 3.601 30 20 CHED CC#CCCOc1ccc(C)cc1Br 157753297 SEIFONBWQKRVBD-UHFFFAOYSA-N 253.139 3.550 30 20 CHED C=CCCOCCNC(c1ccccc1)c1ccccc1 181025510 QSFQYWONFDYAJI-UHFFFAOYSA-N 281.399 3.958 30 20 CHED CCSc1cc(CN[C@H](C)c2cccc(C#N)c2)ccn1 187789033 OWJLMHSVAFZOIE-CYBMUJFWSA-N 297.427 3.916 30 20 CHED CC#CCCCC(=O)NCc1cccc(OCCCC)c1 185171821 DGKJANKXPPVCQL-UHFFFAOYSA-N 287.403 3.675 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCCc1ccc(C)s1 410825213 FPHBVRVSPHLRTE-CYBMUJFWSA-N 278.421 3.530 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(OC)nc1C)c1ccccc1 188567108 CDVLOTUBJQKKMD-OAHLLOKOSA-N 296.370 3.697 30 20 CHED N#Cc1csc(CNCCC2=CCCCCC2)c1 185406842 ABJSUIFVGPYJEB-UHFFFAOYSA-N 260.406 3.990 30 20 CHED C[C@H]1CCCCN(Cc2cccc(OCCCC#N)c2)C1 187517555 OUVHMKHBQNNNOS-INIZCTEOSA-N 286.419 3.991 30 20 CHED COc1cc(C)ccc1OCc1ccc(C#N)c(C)c1 447317508 MONSHPUWYLQINB-UHFFFAOYSA-N 267.328 3.763 30 20 CHED N#Cc1cc(NCc2ccc(F)c(F)c2)nc2ccccc12 315761839 YTRYCJAFTFDDAS-UHFFFAOYSA-N 295.292 3.997 30 20 CHED CC#CCCCC(=O)Nc1cccc(-c2nc(C)co2)c1 186027718 INQGCMFKIGRPMB-UHFFFAOYSA-N 282.343 3.782 30 20 CHED CCOc1ccccc1/C=C1\Cc2cc(O)ccc2C1=O 187223922 BGUJBVRWJUKZSV-NTEUORMPSA-N 280.323 3.613 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCC(C)(C)C#N)CC2 502682215 UIULZUGEWQTIBT-INIZCTEOSA-N 299.418 3.646 30 20 CHED CCC[C@@H](NCC#N)c1cccc(C(F)(F)F)c1 181847612 OVAXSLHXRNLKKV-GFCCVEGCSA-N 256.271 3.660 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(NC(=O)CC)cc1 134952890 ZBMUSLNTKDVNEI-MRXNPFEDSA-N 274.364 3.576 30 20 CHED Cc1c(NCc2cccc(C#N)c2)cnn1-c1ccccc1 136828248 XGRSTAIEVGSNBF-UHFFFAOYSA-N 288.354 3.665 30 20 CHED N#Cc1c(Cl)nsc1NCc1ccccc1Cl 47405209 ILKQGNQHQGTEDB-UHFFFAOYSA-N 284.171 3.934 30 20 CHED Cc1cccc(C2(C(=O)N(C)[C@@H](C)C#N)CCCCC2)c1 410883379 AKNJCTXQFMXBIT-HNNXBMFYSA-N 284.403 3.567 30 20 CHED CCCCCCCCSc1nc(N)c(C#N)cc1C#N 136970080 LVILUQKGXDPODT-UHFFFAOYSA-N 288.420 3.860 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1nccnc1C 414311942 ZBOVOZISVJUBPA-NVXWUHKLSA-N 281.403 3.623 30 20 CHED C=CCC1(C(=O)N[C@H]2COCc3ccccc32)CCCC1 416084855 PNKINDMSHMZQEQ-INIZCTEOSA-N 285.387 3.511 30 20 CHED CCc1nc(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)sc1C 328875721 FZQPIPFAHQUBEI-PSASIEDQSA-N 280.393 3.607 30 20 CHED C=C(C)CCc1noc(Cc2csc(C(C)(C)C)n2)n1 508608927 NKFRFYGBXQEUIE-UHFFFAOYSA-N 291.420 3.923 30 20 CHED Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(C)c1 43142690 CLHXGMIAECGHPK-UHFFFAOYSA-N 293.370 3.839 30 20 CHED C#CCCCCN[C@H]1CCc2c(Br)cccc21 229320671 VBLMEVYIZVQFBS-HNNXBMFYSA-N 292.220 3.830 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1cccc(OC(F)(F)F)c1 411473598 KQBANQLFEHDIFC-MNOVXSKESA-N 286.297 3.928 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@@H]1CCCC[C@H]1C 329145185 ACDYQTALADYILY-BXKDBHETSA-N 293.436 3.909 30 20 CHED C=CCC1(C(=O)N[C@H](CC)c2nc(C)cs2)CCC1 191294188 CXHIYFDWMASMQD-GFCCVEGCSA-N 278.421 3.765 30 20 CHED Cc1cc(N=C(O)C2(C3CC3)CCOCC2)cc2n[nH]cc12 329635082 UGAMQRXKHITZLY-UHFFFAOYSA-N 299.374 3.666 30 20 CHED Cc1cc2ncn(CCCC(C)(C)C#N)c2cc1C 87608810 DCCAOAKMQQQOQB-UHFFFAOYSA-N 255.365 3.983 30 20 CHED Cc1cc(C)n(-c2cccc(N=C(O)C[C@@H]3CCOC3)c2)n1 329776203 JURRSXAWGZHLPX-AWEZNQCLSA-N 299.374 3.504 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCc1ccccc1F 45934619 VSYVRDZESDUUOL-UHFFFAOYSA-N 297.373 3.973 30 20 CHED N#C[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 87759961 IHIGJUZMAWCHAP-SNVBAGLBSA-N 269.175 3.729 30 20 CHED CCN(CCCOc1ccc(C)c(C)c1)C[C@@H](C)C#N 497994673 BBIQCPHFUQVTRY-AWEZNQCLSA-N 274.408 3.554 30 20 CHED O=C1CC[C@H](/C(O)=N/[C@@H]2CC23CCCCC3)n2cccc21 329917069 ZERSIZXYXPUJEQ-UKRRQHHQSA-N 286.375 3.685 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C#N)c1 81179485 XHOILIGMHIIAQK-CZUORRHYSA-N 270.376 3.599 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc2c(cn1)CCCC2 424828428 IZXAJIMBFFXBOP-UHFFFAOYSA-N 258.365 3.501 30 20 CHED Cn1nccc1/C=C/C(=O)c1cc(Cl)sc1Cl 192981946 CYUVCGJRBDLEEA-NSCUHMNNSA-N 287.171 3.685 30 20 CHED CC1(C)CCC(C/N=C(/O)[C@H]2CCCC(O)=N2)CC1 328841863 ZVULTEPVDPNVKU-GFCCVEGCSA-N 266.385 3.668 30 20 CHED N#CCCN(CC(F)(F)F)C(=O)CCC1CCCCC1 174433686 DIOMGPHPVHKFCI-UHFFFAOYSA-N 290.329 3.651 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 424673925 BYEYBWABLVYDDP-OAHLLOKOSA-N 289.394 3.819 30 20 CHED Cc1ccccc1[C@@H]1CCN(C(=O)c2sccc2C#N)C1 336500200 RCGYNXWILIBKIO-CQSZACIVSA-N 296.395 3.558 30 20 CHED CC[C@H](C)[C@@H](C)/N=C(/O)Nc1c(C)cc(C)nc1C 331342779 TZKOTLPDVDEXDA-JOYOIKCWSA-N 263.385 3.767 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(C#N)cc1Cl 426161502 MOFVIKDKWHPKLY-CMPLNLGQSA-N 291.782 3.864 30 20 CHED CC[C@H](NCc1cc(C)cc(N)c1)c1ccc(C#N)cc1 423488805 ZFJRCSKWQXUGEJ-SFHVURJKSA-N 279.387 3.690 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2ccc(F)c(C#N)c2)c1 336130332 DBAGSRBFZQBYST-UHFFFAOYSA-N 282.318 3.591 30 20 CHED C#CCCNc1ccc(Cl)c(Br)c1 87153029 OEYHTHAVGJPUFW-UHFFFAOYSA-N 258.546 3.538 30 20 CHED CC1(C#N)CCN(Cc2cccc(-c3ccncc3)c2)CC1 334303866 FUQHWHRPHARLFB-UHFFFAOYSA-N 291.398 3.874 30 20 CHED C[C@@H]1CCC[C@H](C/C(O)=N/[C@@H]2CCCc3c[nH]nc32)C1 330101939 FTJGFKLIGCKUNK-MBNYWOFBSA-N 275.396 3.960 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)C1 334388564 QUUKYYYYHGFWIU-WMLDXEAASA-N 254.377 3.558 30 20 CHED Cc1ccnc(C)c1NC(=O)C[C@@H](CC#N)c1ccccc1 425577908 BGHYAIDNJKSNBN-MRXNPFEDSA-N 293.370 3.725 30 20 CHED C=CC[C@@H](CC)NC(=O)c1nc(-c2ccco2)sc1C 337083551 BPBQGHYTSUQXHL-LLVKDONJSA-N 290.388 3.796 30 20 CHED Cc1c(C(=O)N[C@H]2CCC[C@H]2C)sc2ccc(C#N)cc12 514876056 DSQDZNMTXXLMBW-YGRLFVJLSA-N 298.411 4.000 30 20 CHED CC(C)(C)CCNC1CCN(c2ccc(C#N)cc2)CC1 513660505 IRKRSUQEUFBCIJ-UHFFFAOYSA-N 285.435 3.553 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(F)c1F 335786108 WBNNNCLYVZPPQA-SNVBAGLBSA-N 266.291 3.537 30 20 CHED Cc1ccccc1C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 519170913 ZVRJMJOODMUBSI-ZDUSSCGKSA-N 295.342 3.818 30 20 CHED CCC(C)(C)C/N=C(/O)Nc1c(C)cc(C)nc1C 331350388 YIZXTOKOISQHJU-UHFFFAOYSA-N 263.385 3.769 30 20 CHED N#CCC1(CNC(=O)c2ccc(-c3ccccc3F)o2)CC1 431132553 MNRCLQFEQXHWDZ-UHFFFAOYSA-N 298.317 3.509 30 20 CHED C=CCOc1ccc(CN[C@H]2CCO[C@@H](C(C)C)C2)cc1 512573850 OMWCOXJUAFVAPC-FUHWJXTLSA-N 289.419 3.545 30 20 CHED N#C[C@]1(C(=O)Nc2cc(F)c(F)c(F)c2)CC12CCCC2 336219451 DKPYXGRUNGQUPT-HNNXBMFYSA-N 294.276 3.516 30 20 CHED Cc1ccc(C)c2c1CCC[C@@H]2NCC1(CC#N)CC1 430743107 NUYDDXQKOICMAY-INIZCTEOSA-N 268.404 3.964 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N(C)Cc1cccc(Cl)c1Cl 336236576 CNYNIBDCUCKUBM-LKFCYVNXSA-N 297.185 3.502 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC2(CCCC2)[C@H]1C(C)C 335577218 OSVOHYKYNZCVEG-OAHLLOKOSA-N 286.375 3.501 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)c(Cl)c1 335890425 KPESLMIMNVEOAD-BXUZGUMPSA-N 289.766 3.618 30 20 CHED C=CCC[C@H](NC(=O)c1cnccc1C)c1ccccc1 435268632 PEXFOFQPNAPOKA-KRWDZBQOSA-N 280.371 3.827 30 20 CHED Cc1ccc(/C=C2/Cc3c(O)cccc3C2=O)cc1 96931931 FRBUTMGYFZNUTK-LCYFTJDESA-N 250.297 3.523 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H]1c1cccnc1 432566624 MLEJGMBXOCBELZ-HNNXBMFYSA-N 287.407 3.530 30 20 CHED CC(=O)Nc1ccc(C)c(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)c1 331087740 SLXCBABDLMDKSV-BXUZGUMPSA-N 288.391 3.694 30 20 CHED N#CCCCOc1cccc(NCc2ccc(F)cn2)c1 529531347 HGSCIPXVXJHAHQ-UHFFFAOYSA-N 285.322 3.515 30 20 CHED C[S@](=O)Cc1ccc(Cl)c(NCCC(C)(C)C#N)c1 345332446 YSVCDGLHWIWBFF-IBGZPJMESA-N 298.839 3.570 30 20 CHED Cc1cccc(Oc2ccccc2CNC(=O)[C@@H](C)C#N)c1 347144582 XSEDXYKWFSKLAH-AWEZNQCLSA-N 294.354 3.563 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc2cccnc12 342612386 CMXNZHVCAYLISN-UHFFFAOYSA-N 298.386 3.936 30 20 CHED C=C1CCN(C(=O)c2ccc(N(C)CCCC)cc2)CC1 342102823 HSYNUIYVYXOMQH-UHFFFAOYSA-N 286.419 3.715 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 523967337 KWFPCUQTVSAFRH-KBPBESRZSA-N 289.419 3.832 30 20 CHED N#Cc1cnccc1/C=C/c1sccc1Br 349105625 GVAFANFTHJBCFG-OWOJBTEDSA-N 291.173 3.948 30 20 CHED COc1c(F)cc(F)cc1NCC#Cc1ccc(F)cc1 433489526 YRNQIVNEAYFWET-UHFFFAOYSA-N 291.272 3.576 30 20 CHED Cc1cc(N[C@H](C)CC2(C#N)CCOCC2)ccc1F 602493308 SLCQHUBFPFJTGS-CYBMUJFWSA-N 276.355 3.645 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](CC)c2ccncc2)c1 255324266 KYGGHPHUGZIJCT-JJBLJPBOSA-N 284.359 3.756 30 20 CHED N#Cc1cc(C(=O)Nc2nccc3sccc23)ccc1F 341680244 FQUVOCRPIIJRFO-UHFFFAOYSA-N 297.314 3.559 30 20 CHED N#Cc1ccc(/C=C\c2cc(Cl)c3c(c2)OCCO3)nc1 254984591 FBBHCRTTWOKMBR-IWQZZHSRSA-N 298.729 3.548 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)c2ccccc2c1O 436850135 YSABIEOZWPGKSA-UHFFFAOYSA-N 289.762 3.847 30 20 CHED C#Cc1cccc(NC(=O)/C=C\SCc2ccco2)c1 255589884 VXIPZBSEGBWWKP-NTMALXAHSA-N 283.352 3.647 30 20 CHED C[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 340888074 PHRNHDCMYIZRHQ-OCCSQVGLSA-N 285.391 3.656 30 20 CHED Cc1cc(N=Cc2cc(Cl)ccc2O)ccc1O 255308530 JGMIOEVNIWQHEC-UHFFFAOYSA-N 261.708 3.810 30 20 CHED N#Cc1c(CON=Cc2ccc(F)cc2)cn2ccccc12 255881702 MGUNQWBIMTWHJZ-UHFFFAOYSA-N 293.301 3.501 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2)s1 255635094 INNXAVBIEQVUOS-FPLPWBNLSA-N 257.289 3.655 30 20 CHED C=CC[C@H](CC)NCc1cn(-c2ccccc2)nc1C 341464492 PCUBDWRGHRZNKI-INIZCTEOSA-N 269.392 3.625 30 20 CHED Cc1nsc(Nc2ccc3ccoc3c2)c1C#N 340934913 VNRDPMMUKQOEPC-UHFFFAOYSA-N 255.302 3.813 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccc(OCC(C)C)cc1 255063206 WDDOOPURMDMQNB-YFHOEESVSA-N 298.386 3.659 30 20 CHED Cc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c(O)c1 255270040 NFZVDWVLYKZSGC-HYXAFXHYSA-N 289.312 3.566 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(NC2CCCC2)c1 449847921 CNRIKRUONXTTKI-PXAZEXFGSA-N 283.375 3.529 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccco1)c1ccccc1 607456685 YALRKLVIWFZHOZ-CYBMUJFWSA-N 255.317 3.602 30 20 CHED O=[N+]([O-])c1ccccc1NN=C/C=C\c1ccccc1 254685433 UOBWOFALILUNPU-NJCCHOHYSA-N 267.288 3.706 30 20 CHED CC(C)N(CCN(C)[C@@H](C)c1ccc(C#N)cc1)C(C)C 356385661 MKXIGUUMRUWPBN-INIZCTEOSA-N 287.451 3.670 30 20 CHED N#Cc1ccc(N2Cc3cccc(Cl)c3C2)cc1[N+](=O)[O-] 357539634 VPBCKTGQGPSKII-UHFFFAOYSA-N 299.717 3.640 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1ccccc1F 255321102 OPURMXWKCAZLCV-FPLPWBNLSA-N 261.683 3.770 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 353783308 AWRIWVKYTXDRSW-GFCCVEGCSA-N 299.370 3.567 30 20 CHED C=CCCCSCC(=O)Nc1cccc(CC)c1 609805105 PWOPYTFMVFJTPU-UHFFFAOYSA-N 263.406 3.887 30 20 CHED CC(C)COc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442866512 LWJLRYDTWFGYIT-DZGCQCFKSA-N 258.365 3.826 30 20 CHED CC(C)(C)[C@H](Nc1cc(C#N)ncn1)c1cccc(F)c1 617959939 MDBPIUATBATVDS-OAHLLOKOSA-N 284.338 3.687 30 20 CHED C=CCN(C(=O)NCC(C)(C)c1ccccc1C)C1CC1 537911232 NSBGBWOGPLMDSL-UHFFFAOYSA-N 286.419 3.633 30 20 CHED CC(C)[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612366438 QTOROJUBOTTYSF-SJLPKXTDSA-N 284.403 3.578 30 20 CHED COc1ccccc1[C@@H]1CCN(CCCC(C)(C)C#N)C1 266964070 YRUCSPGXOSZIGG-OAHLLOKOSA-N 286.419 3.814 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccnc(Oc2ccccc2)c1 447333442 JEEHPYDJINHOQO-UHFFFAOYSA-N 295.342 3.752 30 20 CHED CC(C)OC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 531164483 ZBNBCXDTFJEJFN-CQSZACIVSA-N 272.392 3.509 30 20 CHED C[C@@H](c1ccc(F)cc1F)N1CCC[C@](C)(C#N)C1 612164750 HTRLJTHWKTYYDI-XHDPSFHLSA-N 264.319 3.651 30 20 CHED C[C@H](N(C)C(=O)Nc1ccc(C#N)cc1Cl)C1(C)CC1 269172629 XSEUDPLSTUHBIL-JTQLQIEISA-N 291.782 3.864 30 20 CHED CC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(C#N)cc1Cl 269945800 HTFXFZCLDPLCRV-NXEZZACHSA-N 296.823 3.607 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cc(C#N)ccc1OC 536377764 IGGIQKTWOVQTSQ-NSHDSACASA-N 274.364 3.578 30 20 CHED C=CCCc1noc(C[C@H](C)Cc2ccccc2OC)n1 453246928 LPFSQUPEAHUMHL-CYBMUJFWSA-N 286.375 3.618 30 20 CHED C[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC(C)(C)C1 612134146 LLGNRMGTCZANPC-KBPBESRZSA-N 299.418 3.697 30 20 CHED C[C@H](NC(=O)Cc1cccc(C#N)c1)[C@H](C)C1CCCCC1 531392688 MRGLGTMUIBWUHS-GJZGRUSLSA-N 298.430 3.822 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@](C)(c2ccc(C)cc2)C1 455321250 INJPZDCTAVWKTL-GOSISDBHSA-N 286.419 3.634 30 20 CHED CC#CCCCC(=O)N[C@](C)(Cc1ccccc1)C1CC1 457040690 KAWHWYJXYSUBBV-LJQANCHMSA-N 283.415 3.708 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2c2cccc(F)c2)s1 611274509 GRBHNKRTDQMIQS-OAHLLOKOSA-N 272.348 3.706 30 20 CHED CS[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])C(C)(C)C 450438736 MQCGPXZGYDMDIV-LBPRGKRZSA-N 293.392 3.656 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(CC#N)c1)C1CCCC1 455905987 MSFPJLRJLMMXTJ-MRXNPFEDSA-N 285.391 3.843 30 20 CHED C=C[C@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 277945737 OPUOAMGETFVZGO-NVXWUHKLSA-N 296.414 3.887 30 20 CHED C[C@@H](CCC#N)CN1CCN(C2CC2)c2ccc(F)cc21 618887490 AMJFBYYACBEWCQ-ZDUSSCGKSA-N 287.382 3.554 30 20 CHED Cc1ccccc1C(NC(=O)[C@H](C)C#N)c1ccccc1C 546220068 PFWXKXUKAZAFBQ-OAHLLOKOSA-N 292.382 3.669 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 455365233 KBEXUBIHEHLVFU-GOEBONIOSA-N 286.419 3.786 30 20 CHED CC#CCCNC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 548190432 DUWKCUKVRZGCEE-UHFFFAOYSA-N 286.419 3.539 30 20 CHED C=CCN(CCc1ccccc1)CC1CC(F)(F)C1 450297551 JCKUXUGKSDCNDO-UHFFFAOYSA-N 265.347 3.762 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)NCCCC#N 544091808 VLZKIQUQTNHRNP-OAHLLOKOSA-N 264.413 3.649 30 20 CHED N#Cc1c(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)nc2ccccn12 542974047 AYCOHWZAHSTHLB-MGPQQGTHSA-N 280.375 3.587 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCC(C)(C)CC#N 459263083 WSNSFPCKOSOCHZ-KGLIPLIRSA-N 279.428 3.536 30 20 CHED Cc1c(Cl)cnc(N(C)CCc2cccs2)c1C#N 543206724 XVYWISADVISUAM-UHFFFAOYSA-N 291.807 3.656 30 20 CHED CC(C)(CC#N)CNC(=O)C(C)(C)c1ccc(Cl)cc1 457983813 BLGVVCWCVXBEFS-UHFFFAOYSA-N 292.810 3.674 30 20 CHED C=C(C)[C@@H](NC(=O)[C@@H](CCC)OC)c1ccc(F)c(F)c1 450717573 QDPXHDDTZUHJPS-HUUCEWRRSA-N 297.345 3.513 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(/C=C\C)cc1 455449286 PUGCZDTUQWKVJN-VPIBYOGUSA-N 286.375 3.575 30 20 CHED CCOCc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 450004438 QZZYPISBAZWQKT-GOSISDBHSA-N 298.386 3.636 30 20 CHED C=CCCCCN[C@H](C)c1ccc(N2CCOCC2)cc1 274600423 PSILUMHFDUFPIM-MRXNPFEDSA-N 288.435 3.530 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC(CC#N)CC1 543832002 HNFXAULCJHPYQY-SFHVURJKSA-N 298.430 3.654 30 20 CHED C=CC[C@H](C)[C@@H](C)NC1(c2ccc(OC)cc2)CC1 540723047 DHLZNPDKSGOEBB-UONOGXRCSA-N 259.393 3.875 30 20 CHED C[C@@H]1[C@H](C(F)(F)F)CCCN1CCC(C)(C)C#N 548496963 YYCAUKAVFXCMCN-GHMZBOCLSA-N 262.319 3.589 30 20 CHED C=CCC[C@H](CCC)NC1CCN(c2nccs2)CC1 374226893 CDSLEOMSILQEDG-AWEZNQCLSA-N 293.480 3.836 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 464750264 LTEWXGGFSLJOQZ-MLGOLLRUSA-N 290.382 3.931 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 540500243 QWKFCAPDUWBYSV-IXDOHACOSA-N 293.451 3.834 30 20 CHED C=CC1CCN(C(=O)NCCC2=CCCCCC2)CC1 464147042 RNAYNHMRVHCBAV-UHFFFAOYSA-N 276.424 3.875 30 20 CHED CCCN(CCCSCC#N)CC1CCCCC1 466724101 CQUZLWZCOUJXDM-UHFFFAOYSA-N 268.470 3.926 30 20 CHED C=C[C@H](C)NC(=O)CCCOc1cccc2ccccc12 465105630 ZPYASESTDRODQK-AWEZNQCLSA-N 283.371 3.690 30 20 CHED CC#CCCCC(=O)N[C@]1(C)CCCc2ccccc21 464440643 INQNGZYYXIWGFO-GOSISDBHSA-N 269.388 3.548 30 20 CHED C=CCCN[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 639306472 DOGOTHKTTBEDTL-AEFFLSMTSA-N 270.420 3.520 30 20 CHED N#Cc1c[nH]c2ccccc2c1=N[C@@H]1C[C@@H]1Cc1ccccc1 462871125 OUALSPVQDXSFBZ-HNAYVOBHSA-N 299.377 3.571 30 20 CHED C=CCCN(C)C(=O)[C@H](CC)Oc1ccccc1Cl 466636845 XIYLNQZNROGVMQ-ZDUSSCGKSA-N 281.783 3.532 30 20 CHED N#Cc1ccc(N[C@H]2C[C@@H]2C(F)F)c(C(F)(F)F)c1 553329879 SASDPPAGWVCOAL-XVKPBYJWSA-N 276.208 3.643 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](OC)c1ccc(Cl)cc1 559993906 ZJXGLXYUVROHAF-CQSZACIVSA-N 295.810 3.746 30 20 CHED Cc1ccc(CN(C)CC(C)(C)C#N)c(Br)c1 552315760 YAORICINKGMOGG-UHFFFAOYSA-N 295.224 3.739 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H]1c1cccc(OCC)c1 467957962 JDTDGWQNNGXISW-JFIYKMOQSA-N 287.403 3.660 30 20 CHED CC(C)(C#N)N1CC[C@](F)(c2cccc(Cl)c2)C1 554861567 ZLJODPPAILXDAN-CQSZACIVSA-N 266.747 3.513 30 20 CHED C=Cc1ccc(CCNc2ncc(C#N)cc2Cl)cc1 461866783 SLBMYDDTPNRBPH-UHFFFAOYSA-N 283.762 3.904 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1C1CCCCC1 280627327 SLIAYPFANHXJHG-MRXNPFEDSA-N 286.375 3.645 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](c1ccccc1)C1CC1 554126129 YZVBZFGEFVMIHL-MRXNPFEDSA-N 271.404 3.899 30 20 CHED C=CCCCCCN1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 558872551 MMVPKHKDCVLUIC-IAGOWNOFSA-N 285.435 3.787 30 20 CHED C=CC[C@H](C)[C@@H](C)NCC1(C)CCC(OC)CC1 475201504 IVVSFTDMTSQCJE-QRNKSROTSA-N 253.430 3.772 30 20 CHED C#C[C@@H](CC)N[C@@H](C)Cc1ccc(Br)c(F)c1 809686390 QHYXPLMBGPXPCW-JQWIXIFHSA-N 298.199 3.521 30 20 CHED N#CCSCCCOC(=O)c1cc2ccccc2s1 805371850 UMCSIASKOXOYOY-UHFFFAOYSA-N 291.397 3.705 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCCC#N)cc1 291985121 VFOIAZDSNDKFMX-YJBOKZPZSA-N 284.403 3.989 30 20 CHED Cc1cccnc1CCCN[C@@H](C)c1cccc(C#N)c1 296504275 PDUUPUINYIMFKR-HNNXBMFYSA-N 279.387 3.545 30 20 CHED Cc1cccc(C(=O)/C=C/c2cn(C)nc2C(F)F)c1C 291481093 HODNTGBFFWYFLC-BQYQJAHWSA-N 290.313 3.871 30 20 CHED Cc1ccsc1[C@@H](Cc1ccccc1)NCCC#N 298904607 MTBWCPVIPDRWRX-OAHLLOKOSA-N 270.401 3.844 30 20 CHED Cc1nc(C(C)C)ccc1COC(=O)C1(C#N)CCCC1 294515759 LFOQNKNPZIAXPM-UHFFFAOYSA-N 286.375 3.641 30 20 CHED CC#CCCOC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801899732 ZIZNFSVYSABNSY-LBPRGKRZSA-N 288.240 3.673 30 20 CHED CCn1c(C)cc(C=NNc2nccnc2C2CCC2)c1C 807992003 XSLSEUPSLDWPQP-UHFFFAOYSA-N 297.406 3.628 30 20 CHED C=CCCCCNC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 472841836 QECORSCDCHUSDI-RDJZCZTQSA-N 286.419 3.930 30 20 CHED CCCC[C@@H](CCC)CNC(=O)[C@](C)(C#N)CC 560576235 KCDCTFFWJXIWGO-HIFRSBDPSA-N 252.402 3.649 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@]12CCC[C@H]1C2 569226867 VMYODBWHADBCMG-LRDDRELGSA-N 286.400 3.821 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CC[C@@H](C2CCCC2)C1 817471439 XIDYMENEKBAJKQ-HJCTWCACSA-N 294.398 3.610 30 20 CHED CCN(Cc1ccccc1C)c1ccc(C#N)c(C)n1 488131797 YRAAVZZZMQFHJN-UHFFFAOYSA-N 265.360 3.597 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(N2CCCC2)c1 489079721 SJAGKSDYDAWFKC-UHFFFAOYSA-N 295.386 3.527 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCc2c1ccc(OC)c2F 564153813 WRTYHJITYLAQKT-SMDDNHRTSA-N 263.356 3.766 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(Cl)o1 814884844 AWELCURMDXUFOM-UHFFFAOYSA-N 252.676 3.827 30 20 CHED C=CCC1(CNC(=O)N(CC)Cc2ccoc2)CCCC1 653201204 FWGLUJWSOCQYEE-UHFFFAOYSA-N 290.407 3.948 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccc(C)c(O)c2C)cc1 815805419 OMOAIORVAUVWMW-UHFFFAOYSA-N 293.366 3.562 30 20 CHED CC(=NNC[C@H]1CCSC1)c1cc2ccccc2s1 811658785 JYGBIFBXNPQTHL-GFCCVEGCSA-N 290.457 3.968 30 20 CHED Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCC1(C#N)CC1 484636583 BVSSFJQALOIUDW-DOTOQJQBSA-N 284.403 3.578 30 20 CHED C=CCC(C)(C)C(=O)N1Cc2ccccc2[C@@H](C)C1 814254197 RPLWMYNTCIMNNI-ZDUSSCGKSA-N 257.377 3.735 30 20 CHED CCC(=NNc1cncc(Cl)n1)c1ccc(F)cc1F 814797949 SGSFOMHFKXVCIU-UHFFFAOYSA-N 296.708 3.634 30 20 CHED COc1ccc(NN=C(C)c2cccc(C3CC3)c2)nc1 814908786 CGIVQVHODPKBJW-UHFFFAOYSA-N 281.359 3.804 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1cccc(C2CC2)c1 579148173 IMTWXFAQPFKWRR-ZDUSSCGKSA-N 277.371 3.681 30 20 CHED Fc1ccc(NN=Cc2nc3c(s2)CCCC3)cc1 814693597 ZQPAEIOABFHBFY-UHFFFAOYSA-N 275.352 3.607 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(C)nc1C 814813198 KETOYYOXNXZGKM-UHFFFAOYSA-N 275.302 3.813 30 20 CHED CCOc1ccc(NC(=S)NN=C2CC(C)(C)C2)cc1 814718020 ZCYLTUIVLRZHRT-UHFFFAOYSA-N 291.420 3.548 30 20 CHED Cl/C=C/CON=Cc1nc(-c2ccccc2)cs1 811668149 LEFLROHGEJTZFX-ZJPUZTQDSA-N 278.764 3.913 30 20 CHED C#C[C@H](Nc1cc(C)nc(C)n1)c1ccc(Cl)cc1 811863398 WPCGIPPQFRRXGU-AWEZNQCLSA-N 271.751 3.533 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 488823361 WVCFEAUDDAVRGS-JHJVBQTASA-N 291.341 3.635 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCN(C2CCCCC2)CC1 483492440 UGSFPFKTZLOJOR-MRXNPFEDSA-N 297.446 3.570 30 20 CHED C=CCNc1cc(Cl)ccc1OC[C@@H]1CCCCO1 488138019 WEDHCKCFKDOEFB-ZDUSSCGKSA-N 281.783 3.886 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@H](c3cccc(F)c3)C2)cn1 480784478 HACQZTHRYOHDRL-ZFWWWQNUSA-N 281.334 3.841 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(O)c(C)c1 728226112 IFXRVDZVGCTNDD-UHFFFAOYSA-N 276.286 3.815 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(O)c(F)c1 728429260 BVGKGZANRQGXRH-UHFFFAOYSA-N 262.259 3.507 30 20 CHED N#Cc1ccc2nc(N[C@@H]3CCC[C@@H]4C[C@@H]43)ccc2c1 575018271 GVTVVFDBZJVGBB-IVMMDQJWSA-N 263.344 3.707 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](CC(C)C)C(=O)O 576046429 MZWNDSSTOBZPSV-HNNXBMFYSA-N 267.413 3.554 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)c2ccccc21 572189878 MPAWPXVOLGBBNC-GFCCVEGCSA-N 294.329 3.851 30 20 CHED CC(=NNCCCOc1ccccc1)c1ccccc1F 729150759 XWQUGHSZZCXQEV-UHFFFAOYSA-N 286.350 3.608 30 20 CHED C[C@@]1(Cc2cccc(F)c2)CCCN1c1ncccc1C#N 570158661 WOERAPNEJVYJGT-SFHVURJKSA-N 295.361 3.694 30 20 CHED C#C[C@H](NCc1ncc(Cl)s1)c1ccc(Cl)cc1 491690347 LVEYJRFYXSLHGV-NSHDSACASA-N 297.210 3.914 30 20 CHED Cc1cc(C)c(C#N)c(N(C)Cc2cccc3[nH]ccc23)n1 493675991 HWQPBKBZQALGPT-UHFFFAOYSA-N 290.370 3.688 30 20 CHED FC(F)(F)c1ccc(C=NNC2CCCC2)cc1 727652325 GSIDEPUGCQBCHX-UHFFFAOYSA-N 256.271 3.572 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1csc2ccccc12 826656740 WSUOEFUAMUHHQD-GFCCVEGCSA-N 271.385 3.738 30 20 CHED CC(C)CC[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 589336650 BGGSBLNHYRRJHJ-GUYCJALGSA-N 256.393 3.960 30 20 CHED CC[C@H]1[C@@H](C)CCN1C(=O)Nc1scc(C)c1C#N 582368167 ZHLVYIBJGCHKBH-CABZTGNLSA-N 277.393 3.581 30 20 CHED CCC(CC)=NNCc1ccc(Br)cc1 726740230 YVGRLUZUXBQJHC-UHFFFAOYSA-N 269.186 3.715 30 20 CHED C=CCCCCSCc1nc(COC(C)C)no1 901792959 DKGPNLPBMPSPSM-UHFFFAOYSA-N 270.398 3.584 30 20 CHED C=C(Cl)CNC(=S)Nc1ccc2ccccc2c1 735982078 PBZVIALVXXCSQG-UHFFFAOYSA-N 276.792 3.879 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C3CC3)cc2)nn1C 901554758 DGBZZWJCZCMBRX-YHYXMXQVSA-N 266.344 3.502 30 20 CHED C=C[C@H](CC)CC(=O)OCc1cc(COC(C)(C)C)on1 905954845 KSRCEFSEQBJUFW-GFCCVEGCSA-N 295.379 3.635 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1 732762228 CXPXVERGGUATEH-HZMBPMFUSA-N 285.303 3.757 30 20 CHED C#CC1CCN(Cc2ccccc2Oc2cccnc2)CC1 830326314 JWNYQSWTJTVAKM-UHFFFAOYSA-N 292.382 3.719 30 20 CHED C=CC[C@H](CC)NC(=O)c1nc2ccccc2cc1Cl 583903926 SHHYIOZGAZLEKC-LBPRGKRZSA-N 288.778 3.973 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)cn1 834810938 LFBVGFWIALBTRA-YHYXMXQVSA-N 288.350 3.568 30 20 CHED CCCC(=NN=C(C)c1cnccn1)C1CCCC1 834960592 VNKIUULXAUXHMO-UHFFFAOYSA-N 258.369 3.632 30 20 CHED C[C@H](OC(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1ccc(C#N)cc1 835204482 UMSLGXIDMSPZAA-VCOSZWKGSA-N 269.344 3.599 30 20 CHED Cc1ccc(C(C)(C)CNC[C@@H](C#N)CCC#N)c(C)c1 584446336 QPQPXARCRXZLHD-MRXNPFEDSA-N 283.419 3.614 30 20 CHED Oc1ccccc1/C=N\[C@H]1CCc2ccc(F)cc21 730147210 NBQMZVNMGVOWDE-PACYTGELSA-N 255.292 3.638 30 20 CHED CCCCCCCOC(=O)CC[C@H]1CCCCO1 732380697 BFMPDKODHCYKSP-CQSZACIVSA-N 256.386 3.849 30 20 CHED N#CC1(CNCCCCc2cccc(C(F)(F)F)c2)CC1 582583104 SPSXZYMTPAHQOL-UHFFFAOYSA-N 296.336 3.921 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3cc(F)ccc3o2)C1 839056605 DWNMFYSMUWZMEX-MFKMUULPSA-N 287.290 3.811 30 20 CHED COc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1C 734305009 DPFDODLTWIOSGU-RIYZIHGNSA-N 282.314 3.965 30 20 CHED CCC(CC)NN=C(C)c1ccc(SC)c(OC)c1 734365246 VYXFWFGTSMLREZ-UHFFFAOYSA-N 280.437 3.919 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C(C)(C)C)ccc1OC 588814964 QRSZPJSXCCCJGD-QGZVFWFLSA-N 288.391 3.871 30 20 CHED CCn1cccc1C=NNCc1ccc(C(F)(F)F)cc1 834940057 CCPAQWIUBGLXKD-UHFFFAOYSA-N 295.308 3.651 30 20 CHED C=CCC[C@H](OC(=O)c1cc(C)n(C(C)C)n1)C1CC1 835244382 WDPXYTFBLCDLTB-HNNXBMFYSA-N 276.380 3.674 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/Cc2coc3ccccc23)c1 733902862 BVRSJMANPZFWRO-CAOOACKPSA-N 296.282 3.666 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1cccc(Cl)c1 734986412 LQIMKUYCRXUJBD-SECBINFHSA-N 254.786 3.591 30 20 CHED CCOc1cc(C=NNc2ccccc2)cc(Cl)c1O 916247472 XMXICJJBSCGSLA-UHFFFAOYSA-N 290.750 3.890 30 20 CHED CS[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1 839056278 SPBFIGGQXUTOBO-QEJZJMRPSA-N 289.400 3.716 30 20 CHED Cc1cc(C)nc(NN=Cc2c(Cl)cccc2Cl)n1 916241747 HZNZQSMGLLINQZ-UHFFFAOYSA-N 295.173 3.846 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1cc(C)oc1C 916269031 NEANRHCSSMFIFO-UHFFFAOYSA-N 273.292 3.641 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](CCC)c1ccccc1 835119499 YBZBINZXCJEIRV-PMPSAXMXSA-N 274.360 3.662 30 20 CHED Cc1ccc(C#N)cc1-c1ccccc1OC[C@@H]1CCOC1 592987301 XOMFDWFDTIRJBL-MRXNPFEDSA-N 293.366 3.949 30 20 CHED C=CCCC(C)(C)NCc1ncc(CSC)s1 594997723 BMILCVWRETYAKH-UHFFFAOYSA-N 270.467 3.841 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C(/CC)c1ccc(C)cc1 741681453 MRYKOZAYLAEHDF-SYCZXOQXSA-N 270.376 3.597 30 20 CHED Cc1cc(C)cc(CNC(=O)CC2(C#N)CCCCC2)c1 598143180 ZMPRSCCEGQENGA-UHFFFAOYSA-N 284.403 3.784 30 20 CHED CS[C@@H](CNC(=O)CC1(C#N)CCCCC1)C(C)(C)C 597494485 LDDBUGCHYJUCPX-ZDUSSCGKSA-N 296.480 3.744 30 20 CHED CC(C)c1ccc(NC(=S)NN=Cc2ccco2)cc1 916299403 JISCTJVRWKTKTO-UHFFFAOYSA-N 287.388 3.724 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1snc(Cl)c1C#N 742413600 FFDKXGQERYVASX-RISCZKNCSA-N 289.791 3.810 30 20 CHED CCC[C@H](C#N)NC(=O)CCC1CCCCCC1 594001810 MJCPWSHYTBQLJO-CQSZACIVSA-N 250.386 3.545 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)[C@H](C)c2ccccc2)c1 746806952 JYWZBCIEJGRUKA-LSDHHAIUSA-N 292.382 3.982 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C(F)(F)F)c(C)c1 743222412 GXAJNNAKZHSWBG-UHFFFAOYSA-N 292.688 3.888 30 20 CHED CCON=C(C)c1cnn(-c2cc(C)ccc2C)c1C 741761886 DMNFUZILXJZFIA-UHFFFAOYSA-N 271.364 3.558 30 20 CHED CO[C@@H](C#N)c1ccc(-c2ccc(N3CCCC3)nc2)cc1 844228358 FYWZMWGUFVNCKB-KRWDZBQOSA-N 293.370 3.560 30 20 CHED CCN(CC)c1ccc(CNc2ccc(C#N)cc2C)cn1 846746334 ZDIYALLPCJJQNK-UHFFFAOYSA-N 294.402 3.720 30 20 CHED C=CCCCCON=C(C)c1ccc(NC(C)=O)cc1 842020591 QLVAZHMDOSWTJN-UHFFFAOYSA-N 274.364 3.742 30 20 CHED CC(C)N(C)c1ccccc1NC(=O)c1sccc1C#N 597616728 LMHXVIREKYNVIQ-UHFFFAOYSA-N 299.399 3.717 30 20 CHED C=CC(C)(C)CNC(=N)NCc1cccc(C(F)(F)F)c1 849035578 NDPUYQZUPHJWMA-UHFFFAOYSA-N 299.340 3.532 30 20 CHED Cc1ccc(CN(C)C(=O)CC2(C#N)CCCCC2)cc1 596652376 PUQSIJIXJDOKQJ-UHFFFAOYSA-N 284.403 3.818 30 20 CHED C[C@@H]1SCC[C@@H]1/N=C/c1c(O)ccc2ccccc12 843263235 IXBUIQDSDFGQNP-FFNBTWGESA-N 271.385 3.858 30 20 CHED C#CCOC(=O)c1ccccc1N=Nc1ccc(O)cc1 744551331 TUMQFKNWAQRRJZ-UHFFFAOYSA-N 280.283 3.598 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H](C)c2ccccc2)n1 741763860 HZULCHULAJVARG-SNVBAGLBSA-N 274.755 3.640 30 20 CHED COc1cc(CN2CCC[C@H](CC#N)C2)ccc1SC 595615910 UNBDGPRFNCLSGU-CYBMUJFWSA-N 290.432 3.543 30 20 CHED C[C@H]1CC(=NNc2ncccn2)C[C@H](c2ccccc2)C1 749859118 QEUYGNRUPYFPOD-UKRRQHHQSA-N 280.375 3.848 30 20 CHED C=CCCOCC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 683459422 RLUTWXOMPBMHEA-OAHLLOKOSA-N 287.403 3.756 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 593393242 TZHKSOPECJGGHG-AAEUAGOBSA-N 299.399 3.510 30 20 CHED CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@@H](C)C(C)C 593969253 ZJKLWZVCEVNYPB-GJZGRUSLSA-N 286.419 3.630 30 20 CHED CCC(Cc1ccccc1)=NNc1cccc(C(=O)O)c1 745806570 RAUMRAXKEFGNNF-UHFFFAOYSA-N 282.343 3.805 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1=CCCC1 596881929 VBBMKQNPSWIAQM-UHFFFAOYSA-N 297.402 3.589 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1cc(C)c(F)c(C)c1 741453570 SXIAUNUXRXBWSI-UHFFFAOYSA-N 292.745 3.722 30 20 CHED COc1ccc(O)c(C=Nc2cc(F)ccc2C)c1 920942871 SDEIKYHXNXLATI-UHFFFAOYSA-N 259.280 3.599 30 20 CHED FC(F)CNN=Cc1cccc(Oc2ccccc2)c1 740616772 SOLZMYFWXBWCOW-UHFFFAOYSA-N 276.286 3.668 30 20 CHED CC(C)(C)C/N=C\c1cc(Br)ccc1O 920173958 HWMJCWYZFFYNQJ-AUWJEWJLSA-N 270.170 3.620 30 20 CHED C#CCCCSCc1cnc(-c2ccccc2)nc1 853770054 BDTTXVBYDWWDSW-UHFFFAOYSA-N 268.385 3.790 30 20 CHED CCCCCC[C@H](CC)C(=O)N(CC)[C@H](C)C#N 856074934 FWZIDXDSWQAKKS-KGLIPLIRSA-N 252.402 3.744 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1ccc(C)c(Cl)c1)OCC 755896131 VHVTWLMJMBILDS-OAHLLOKOSA-N 295.810 3.983 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(C(C)(C)O)cc1 926685734 QHCMYSAVZJWERV-CQSZACIVSA-N 293.476 3.874 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccc(C#N)c(C(F)(F)F)c1 758375274 PCCHGXKXRUZMQI-SCZZXKLOSA-N 267.254 3.631 30 20 CHED C#CCCCC(=O)OCc1ccc(Cl)c2cccnc12 759197428 PRFZFUMIFPYGSB-UHFFFAOYSA-N 287.746 3.735 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1cc(C)on1 920235205 INNNSODIENZKAF-CYBMUJFWSA-N 295.427 3.779 30 20 CHED COc1cc(F)cc(NN=C(C)c2cc(F)ccc2F)c1 759206029 IWKYUKMSZNRURN-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C=CCCN[C@H](C)c1ccc(C(F)(F)F)nc1Cl 856776675 HTJZYZUIHYWKAR-MRVPVSSYSA-N 278.705 3.981 30 20 CHED C=C(CC)CN=[S@@](=O)(c1ccccc1)C(F)(F)F 853728703 RSQBFZWRDOLYLB-GOSISDBHSA-N 277.311 4.000 30 20 CHED Cc1nc2ccc(N[C@H](C)CC(C)(C)C#N)cc2o1 925921337 PNZNHRLOSKWJCB-SNVBAGLBSA-N 257.337 3.877 30 20 CHED O=C1/C(=C\c2ccccc2F)Cc2c(F)cccc21 921263543 FUUFTPBZXGLODM-FLIBITNWSA-N 256.251 3.787 30 20 CHED CC1(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CCC1 750681889 RIHDCNHWPDESCM-CYBMUJFWSA-N 264.328 3.601 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccc(F)cc1 752174057 MPTFEEQFGULEIX-SECBINFHSA-N 275.304 3.677 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1ccccc1O 757473600 DJSXXNZZIYXBDQ-CMDGGOBGSA-N 260.239 3.567 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1cccc(C#N)c1 751134110 IWLHFXNABBPEOF-GFCCVEGCSA-N 261.328 3.567 30 20 CHED CCCCCCCNC(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1 858113187 DCYKBTAUICDVNS-HUUCEWRRSA-N 296.455 3.556 30 20 CHED Cc1ccc(CCCC(=O)OCc2ccc(C#N)cc2)s1 750972008 VPJCWWDIPCDBGC-UHFFFAOYSA-N 299.395 3.994 30 20 CHED C#CC[C@H](NC(=O)CSCCC(C)C)c1ccccc1 757596465 IGUXOZSFTQTJMZ-INIZCTEOSA-N 289.444 3.647 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(CF)cc2)C1 855436756 KEKSKZNRMATEOG-AWEZNQCLSA-N 261.340 3.584 30 20 CHED C/C(=C\C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cccs1 857033635 ZGZRKEWPMRFQLF-UAIPSJAGSA-N 275.373 3.777 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2c(ccc3ccccc32)[nH]1 753413241 CFLQMQGGIDMGBA-GFCCVEGCSA-N 278.311 3.780 30 20 CHED C#C[C@H](CC)NC(=O)c1cc(Cl)ccc1SCC 754378870 ACKQDCQHDOPTRY-LLVKDONJSA-N 281.808 3.594 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](c1ccccn1)C1CC1 925570580 XZQCNSQMJNTXHI-OAHLLOKOSA-N 287.407 3.577 30 20 CHED COc1ccc(N[C@@H]2CC[C@H](C#N)C2)c2ccccc12 858522633 CHZXSSSRMFRXRN-QWHCGFSZSA-N 266.344 3.953 30 20 CHED CCCCCC[C@H](C)NN=C(C)C[C@H]1CCOC1 751530389 XJCPHBWBWKYJCE-DZGCQCFKSA-N 254.418 3.737 30 20 CHED CC[C@@H](C)c1ccc(C(=O)OCc2ccnc(C#N)c2)cc1 756303426 HZYLWQCTAPLKQN-CYBMUJFWSA-N 294.354 3.824 30 20 CHED Cn1cc(C=NNc2ncccc2Cl)c2ccccc21 755653572 BUCJHYOOWHAPML-UHFFFAOYSA-N 284.750 3.673 30 20 CHED CCn1nccc1C=NNc1ccc(Cl)cc1Cl 753691128 QXWJJSKFLJGHKA-UHFFFAOYSA-N 283.162 3.656 30 20 CHED C=C(C)CCOC(=O)C[C@H](C)c1ccc(OC)cc1 750737037 DUBZXANPGNIDRN-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED Fc1ccc(CC=NNc2ccnc(F)c2)c(Cl)c1 766453722 DOMQZCFCKMOFKZ-UHFFFAOYSA-N 281.693 3.654 30 20 CHED CCC1(C(=O)OCC(=O)c2cccc(C#N)c2)CCCCC1 764664382 BFUDYZYSVKQDBJ-UHFFFAOYSA-N 299.370 3.645 30 20 CHED CC[C@H](C)CON=Cc1cc(Cl)c(OC)c(OC)c1 764544327 YIHGKSOZSXUSQH-JTQLQIEISA-N 285.771 3.754 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(Cc1ccco1)C(C)C 931003499 VQLZQVMZXMRYNG-UHFFFAOYSA-N 282.343 3.511 30 20 CHED CCCCCCCc1nc([C@]2(C)CCCO2)no1 763320231 IJWOBWMRTIXIDQ-AWEZNQCLSA-N 252.358 3.608 30 20 CHED C=CCC[C@@H](O)CN1CC=C(c2c[nH]c3ccccc23)CC1 760804429 LDBYNTMYDRERAW-MRXNPFEDSA-N 296.414 3.584 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@@H]1CCC[C@H]1C 769314178 MDSLETWGFFPRAP-DOMZBBRYSA-N 271.360 3.736 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)cc1 766584866 RSRYHOIQPFWZPI-BJIFSAINSA-N 290.794 3.798 30 20 CHED CCn1nc(/C=C\C(=O)c2occc2C)c2ccccc21 769746758 LUNAJIAMXMMLRD-HJWRWDBZSA-N 280.327 3.854 30 20 CHED CCN(CC)c1ccnc(NN=C(C)CCC(C)C)n1 762607826 URVREGSIKXZUPH-UHFFFAOYSA-N 277.416 3.547 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1cncc(C)c1 767378639 TWQNWTMTIZHUPZ-UHFFFAOYSA-N 291.301 3.828 30 20 CHED C#C[C@@H](C)N(C)C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 767244285 TWMWSSQIQHBVTH-LMMOQWNQSA-N 295.304 3.589 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CCCc2nc(C)sc21 860541731 FXFMBASFDHSAQM-GFCCVEGCSA-N 292.404 3.702 30 20 CHED CC(C)=CCC/C(C)=C/C=NNc1ccc(C(=O)O)cn1 763377676 SKJJKEZTNWPXFQ-PJSBQUSISA-N 287.363 3.870 30 20 CHED COc1ccc(C=NNc2cccc(Cl)c2)s1 763115587 AJNAUQPJEONPJM-UHFFFAOYSA-N 266.753 3.856 30 20 CHED COc1cc(F)ccc1NN=C(C)c1cc(F)ccc1F 761886204 WPZKHMGLLRLRTE-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN(C(=O)CCCC#N)C2 1117657034 LJNNEWZJGKTQHH-UHFFFAOYSA-N 284.403 3.563 30 20 CHED c1ccc2c3c(sc2c1)C(=NNc1cnccn1)CCC3 763167230 SIYWJIQQTRSFGM-UHFFFAOYSA-N 294.383 3.844 30 20 CHED Cc1ccc(SCCON=C2CCCOCC2)cc1C 763425385 IORPKUIBXIAEIY-UHFFFAOYSA-N 293.432 3.969 30 20 CHED N#CC1(CCCN2CC[C@@H]3CCCC[C@H]3C2)CCOCC1 1116905351 WSOKQSAWEJDQRM-IRXDYDNUSA-N 290.451 3.599 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cc(Cl)ccc1SCC 767244463 YIUHYNJIAFOXOC-SNVBAGLBSA-N 281.808 3.546 30 20 CHED C[C@H](C=NNc1nc2ccccc2s1)CCC#N 765993647 YGNHTHZRYBYRFS-JTQLQIEISA-N 258.350 3.634 30 20 CHED CC(C)CN(CCC#N)Cc1cnc(C2CCC2)s1 768155324 YUJUEVGIOFPZOQ-UHFFFAOYSA-N 277.437 3.782 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](CC)c1ccncc1 878903012 KDMYPYZRTJLAAQ-CQSZACIVSA-N 260.381 3.593 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc(C)cc1C)OCC 770109703 AXORILIJQLJPOX-INIZCTEOSA-N 276.376 3.718 30 20 CHED Cc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c(O)c1 877598478 GKMLYDPZFFLVGJ-AWEZNQCLSA-N 280.371 3.765 30 20 CHED CC(=O)Nc1ccc(C(C)=NOC2CCCCC2)cc1 777457378 RVCNLEIYAZOMJS-UHFFFAOYSA-N 274.364 3.718 30 20 CHED C#CC[C@@H](NC(=O)N[C@@H]1CC12CCCCC2)c1ccccc1 770790732 FYFMNMZCEGDNNQ-IAGOWNOFSA-N 296.414 3.773 30 20 CHED C[C@H](COC(=O)c1c[nH]c(C#N)c1)c1cccc(Cl)c1 779237102 HTSTYKJBZBSJFD-SNVBAGLBSA-N 288.734 3.500 30 20 CHED C#CCCCCN[C@H]1CCCOc2cc3c(cc21)CCC3 773037786 RFOXOAWOGFBJLS-SFHVURJKSA-N 283.415 3.782 30 20 CHED COC(=O)Nc1cccc(NC[C@@H](C)CCC#N)c1C 877496915 YSHDCDPSADARLY-NSHDSACASA-N 275.352 3.525 30 20 CHED N#Cc1cc(/C=C2\CCOc3ccccc3C2=O)ccc1F 770574573 YLKGKZZSSOMRHJ-UKTHLTGXSA-N 293.297 3.746 30 20 CHED CCCCc1ccc(C(=O)/C=C/c2ccn(C)n2)cc1 773153523 HLLNKAKEGDYFCX-ZHACJKMWSA-N 268.360 3.659 30 20 CHED C=C(CC)COC(=O)C[C@@H](C)c1ccc(OC)cc1 773533745 UCVXARMXXREWAO-CYBMUJFWSA-N 262.349 3.698 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC[C@@H](C)C2)n1 776528275 NEXCNPMAKYUWEM-IJLUTSLNSA-N 276.405 3.879 30 20 CHED CCOCCON=C1CCSc2ccc(Cl)cc21 774433857 MGIGHQCASQMTFP-UHFFFAOYSA-N 285.796 3.593 30 20 CHED C=CC[C@H](N[C@@H]1CCCc2occc21)c1ccncc1 774189862 LGCIYQXRROZIAF-JKSUJKDBSA-N 268.360 3.959 30 20 CHED Fc1cccc2c1CCC2=NNc1cc(Cl)ccn1 777907676 ZWQWYAODQUQQTF-UHFFFAOYSA-N 275.714 3.637 30 20 CHED C#CCCCCC(=O)NCC1CCC(C(C)C)CC1 773310578 HPOKMDJTMXSJER-UHFFFAOYSA-N 263.425 3.759 30 20 CHED C=CCSCCN[C@@H](CC)c1ccc(N(C)C)cc1 772954882 QFZCWCAOURLMQJ-INIZCTEOSA-N 278.465 3.713 30 20 CHED C[C@@H]1CC/C(=C/C(=O)O[C@@H](C#N)C2CCCCC2)C1 776392312 ODSRDBCGGOTZFP-PPCRNCKTSA-N 261.365 3.748 30 20 CHED Cc1cc(OC(=O)Cc2ccccc2CC#N)ccc1Cl 776736391 NNCVGMCSYMQOFZ-UHFFFAOYSA-N 299.757 3.863 30 20 CHED C=C(C)CCC(=O)N[C@H](CC)c1ccc(OC)cc1 1120538534 PEOQZOKFHSMKMS-OAHLLOKOSA-N 261.365 3.619 30 20 CHED CCCCCCCC(=O)OCc1ccc(F)cn1 787650057 GLVPNLAMMXYXOC-UHFFFAOYSA-N 253.317 3.624 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)NCCC(C)(C)C 780669338 FYCWBOVSZJRUSQ-LBPRGKRZSA-N 289.379 3.535 30 20 CHED C#Cc1ccc([C@H](OC(=O)[C@H](F)CC)C(F)(F)F)cc1 1121220347 VFOBUNAPMCFGPA-NEPJUHHUSA-N 288.240 3.563 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1ccc(C#N)cc1Cl 788361232 XHDZOOTYDNMVTE-AATRIKPKSA-N 286.718 3.713 30 20 CHED COc1cccc(NN=C(C)Cc2ccccc2F)c1 780199569 QWUQRDNMYMKDGA-UHFFFAOYSA-N 272.323 3.865 30 20 CHED COc1ccc(C(=O)/C=C/c2scnc2C2CC2)cc1 782301486 MHIRXRHXHRESBH-CMDGGOBGSA-N 285.368 3.925 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(C#N)c(Cl)c2)C1(C)C 783881472 ZUCLGOWTYLVIES-CQSZACIVSA-N 291.782 3.815 30 20 CHED CC(C)(C#N)CNC(=O)N1CCc2cc(C(C)(C)C)ccc21 781953258 DITZIMYIZYAASP-UHFFFAOYSA-N 299.418 3.606 30 20 CHED C[C@@H]1CN(c2cc(C#N)sc2[N+](=O)[O-])[C@@H]1c1ccccc1 892726753 CDBCBLNFMOYCPC-YGRLFVJLSA-N 299.355 3.725 30 20 CHED C[C@H](N[C@H]1CCc2ccc(Cl)nc21)c1ccc(C#N)cc1 788563106 KZROAJATGZDLLB-NHYWBVRUSA-N 297.789 3.945 30 20 CHED C=CCCCC(=O)NCCC1CCC(F)(F)CC1 890061484 LGNYMXIPTXAHGS-UHFFFAOYSA-N 259.340 3.675 30 20 CHED C#Cc1ccc(C(=O)N(c2ccccc2)[C@H](C)C(C)C)cn1 894225782 LXFMCBCNQSVGHJ-OAHLLOKOSA-N 292.382 3.754 30 20 CHED Cc1cc2cc(C=NNCCc3ccncc3)oc2cc1C 789094768 YQLFPBYMMHSDJW-UHFFFAOYSA-N 293.370 3.611 30 20 CHED C=CCCCCCOC(=O)CSc1ccc(O)cc1 784101367 CCHYRUJNWSGDKZ-UHFFFAOYSA-N 280.389 3.774 30 20 CHED CCCCCC[C@H](C)C(=O)N1CCC(CC#N)CC1 782054474 HUKJPXNKIPSYBG-AWEZNQCLSA-N 264.413 3.745 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cc(C#N)ccc1F 1206062445 WRPWVZZCCHEYDW-QWRGUYRKSA-N 289.354 3.644 30 20 CHED CSc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)s1 798232182 XVPNMSRYWLAOSK-FNORWQNLSA-N 292.429 3.716 30 20 CHED C=CCC1(C(=O)Oc2ccc(OCC)cc2)CCC1 790228832 RMRTYKKMWYZVHE-UHFFFAOYSA-N 260.333 3.737 30 20 CHED CC[C@@H](C)NN=C(C)c1sc(-c2cccnc2)nc1C 790189953 SVIJGDQDUADTTQ-SNVBAGLBSA-N 288.420 3.626 30 20 CHED N#CCC1(OC(=O)C2CC(c3ccc(F)cc3)C2)CCC1 797244078 QGCRIIYAMLFMKJ-UHFFFAOYSA-N 287.334 3.699 30 20 CHED Fc1ccc(/C=C/C=NNc2cccc(Cl)n2)cc1 793163807 NACLFZCDQIQNAW-KIEKWOGXSA-N 275.714 3.985 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc(C)cc1C 798374884 CWCZSDDRRXKTNC-CYBMUJFWSA-N 262.422 3.945 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C/c1nc2ccccc2s1 798551098 LWTLHXQORRAHOX-IIANPFDCSA-N 286.400 3.780 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc(COC)o1 799493418 ARIRUVGAMANJKK-UHFFFAOYSA-N 272.348 3.743 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ccnc2cc(OC)ccc12 797836913 HIGWMUMKDMFXCM-SCLBCKFNSA-N 298.386 3.637 30 20 CHED Cc1cc(F)cc(NC(=O)c2ccc(C)c(C#N)c2)c1 799351926 AQJFMTPSBMNNOR-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(Br)c1C 393817770 GOQSZJCZCQKEEP-NSHDSACASA-N 296.208 3.842 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C/c1ccc(Cl)cc1 798554251 NFOLAHOERPPCAY-ZHZWZMEUSA-N 263.768 3.824 30 20 CHED C=CC[C@H]1N(Cc2cnc(Cl)cn2)CCCC1(C)C 799169002 UFWHHAAGRVSWMO-CYBMUJFWSA-N 279.815 3.697 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cn(C(C)C)nc1C 798370495 OFPQGUSJPJEQRQ-SREVYHEPSA-N 283.375 3.626 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(F)ccc(O)c2F)cc1 794926048 HUDFPRMVGCSBGJ-SOFGYWHQSA-N 274.266 3.875 30 20 CHED C[C@@H]1CC=CC[C@H]1COC(=O)/C=C\c1ccccc1C#N 799638717 UDWHMERRAXOZPI-CRYPRFJLSA-N 281.355 3.717 30 20 CHED CCc1ccc([C@@H](C)Nc2cccc(C#N)n2)cc1 80117109 MYGIMKWEDBALDY-GFCCVEGCSA-N 251.333 3.689 30 20 CHED N#Cc1c(F)cccc1CN[C@@H]1CCC[C@H](C2CC2)C1 1308825043 IAEJKTGXTIWGRQ-DZGCQCFKSA-N 272.367 3.756 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 1309984238 AHVHUGHIFUMXBY-WFASDCNBSA-N 285.391 3.895 30 20 CHED CCc1nc(C#N)cc(N[C@H](Cc2ccccc2)C(C)C)n1 1164124938 RMEVASPVOMSHBN-MRXNPFEDSA-N 294.402 3.590 30 20 CHED COc1ccc2cc(C(=O)OCCCCC#N)ccc2c1 1248600943 TVRLORAWLDEFRR-UHFFFAOYSA-N 283.327 3.699 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)c1ccc(F)cc1F 1321631177 QDJCSRWAOKCASG-ZYHUDNBSSA-N 267.319 3.539 30 20 CHED CN(C)c1ncccc1/C=C\C(=O)c1cccc(C2CC2)c1 1324543869 VWZAPASGAYSXSQ-KHPPLWFESA-N 292.382 3.921 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1[nH]ccc1-c1ccccc1 1324731539 LUBBKDKNXGXXIU-HNNXBMFYSA-N 280.371 3.862 30 20 CHED C=CCCCCOC(=O)c1cc(C(C)C)nn1CC 1324703225 KPPNCBVQRINJSF-UHFFFAOYSA-N 264.369 3.540 30 20 CHED N#CCC[C@@H](NCc1cccn1C1CC1)c1ccccc1 1325116656 CXYYDWWGYZPFHX-GOSISDBHSA-N 279.387 3.958 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 1320604454 YRYCWALPBPTQBO-PBHICJAKSA-N 289.423 3.560 30 20 CHED C[C@H](OC(=O)C1(c2cccc(C#N)c2)CC1)c1ccccc1 1320874894 XUVPOSJBLKJKKW-AWEZNQCLSA-N 291.350 3.894 30 20 CHED C#CCCCc1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1327363425 HIFITCDIZXJEBU-LLVKDONJSA-N 290.750 3.819 30 20 CHED CCN(C(=O)c1ccc(-c2ccccc2)s1)[C@H](C)C#N 1334619328 ZLRZQSUNTIKHNR-GFCCVEGCSA-N 284.384 3.789 30 20 CHED N#Cc1cccc(N(C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)C2CCC2)c1 1331919132 XJDCKZIMBDZSPA-RLFYNMQTSA-N 294.398 3.880 30 20 CHED C#C[C@H](CC)NC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1261660464 OJHPQDRPMQFRMJ-YQVWRLOYSA-N 296.414 3.509 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)ncn1 1334652978 FPUNGSZYKHOWGO-AWEZNQCLSA-N 282.391 3.593 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1csc(C#N)c1)C1CC1 1347769913 ANDVXOZEQUSZJF-MRXNPFEDSA-N 296.395 3.809 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1cc(C#N)ccc1C 1347810288 XMNXHMVBUVZIKS-UHFFFAOYSA-N 290.366 3.768 30 20 CHED CC(C)CCC(=O)[C@H](C#N)c1nccn1Cc1ccccc1 1344534122 UIGBJUQNVXZRIT-INIZCTEOSA-N 295.386 3.544 30 20 CHED C=C(CC)C(=O)Nc1cc(Cl)ccc1OC(F)F 1349952493 YKTDAZOHVOFBFQ-UHFFFAOYSA-N 275.682 3.846 30 20 CHED CCC[C@H]1CCCN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1348772776 SRNKJQQUFDUVKV-DOTOQJQBSA-N 297.402 3.520 30 20 CHED Cc1cc(C)c(C(=O)Nc2cccc(C#N)c2C)s1 1265977767 MDUJONRCWUNVIV-UHFFFAOYSA-N 270.357 3.797 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1cccc2[nH]ccc12 1279076742 DQXVGGCQZQJWHN-UHFFFAOYSA-N 295.729 3.945 30 20 CHED CCc1ccc(NC(=O)c2csc(C#N)c2)cc1C 1518537916 VHJXMVQGFHNHCQ-UHFFFAOYSA-N 270.357 3.743 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@@H](C)C(C)(C)C)c1 1466839685 QCBDBEFAFVRMPW-GFCCVEGCSA-N 273.380 3.670 30 20 CHED C=CCCOCCN[C@@H]1CCCC[C@@H]1c1ccccc1 222445020 RMCMRBNRGFBUQO-QZTJIDSGSA-N 273.420 3.895 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1532511477 NMGRFADAIALVDI-GXSJLCMTSA-N 278.302 3.601 30 20 CHED N#Cc1ccccc1OCCOc1ccccc1Cl 11949972 WTODIOQYFAGMOR-UHFFFAOYSA-N 273.719 3.669 30 20 CHED CC(C)c1ccc(NC(=O)c2ccc(CC#N)cc2)cn1 1617264090 QYPWCTXCVHHZQT-UHFFFAOYSA-N 279.343 3.523 30 20 CHED N#Cc1cnnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c1 1472639140 IGGOVVBRDDAJBM-UHFFFAOYSA-N 299.639 3.813 30 20 CHED Cc1cccc(N(C)C(=O)Nc2cc(F)cc(C#N)c2)c1 1476982700 KVSODLLIZDVBAO-UHFFFAOYSA-N 283.306 3.674 30 20 CHED N#Cc1cc(NC[C@@H]2CCSC2)ccc1C(F)(F)F 226388772 SFSQGTZVTYUESA-VIFPVBQESA-N 286.322 3.742 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)cn2)c(Cl)c1 226345629 UMPZZXPHVAEVDM-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC(=O)[C@@H](Sc1cccc(C#N)c1)c1ccccc1 1472996453 AVXGIGBJYBXHLE-MRXNPFEDSA-N 267.353 3.981 30 20 CHED COc1cc(CN2CCC[C@@H](C(C)(C)C)C2)ccc1C#N 1621283144 KKOVRDPHGSPBTP-MRXNPFEDSA-N 286.419 3.825 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1cc(F)c(C#N)c(F)c1 1623960678 SJFHZGRFEMQENK-NSHDSACASA-N 294.345 3.781 30 20 CHED N#Cc1c(F)cccc1CNc1cccc(-c2ccon2)c1 1621536774 KALWVMHGITUKKK-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccc(-c2cccc(F)c2)s1 1633299904 MNOIAAAVMZDWPN-JTQLQIEISA-N 288.347 3.586 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cc(F)cc(C#N)c2)C1 1563171764 JHBCPRRSLWKCRD-VXGBXAGGSA-N 289.354 3.740 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1ncnc2sccc12 1640060744 LEIDWEWIDQGLRQ-NSHDSACASA-N 294.383 3.760 30 20 CHED N#Cc1ccc2c(c1)CCCN2CCc1c(F)cccc1F 1658800725 ATOXOIGXXKTTIC-UHFFFAOYSA-N 298.336 3.832 30 20 CHED COC(=O)c1ccc(SCCc2ccc(C#N)cc2)cc1 1656209139 LTMIEZJCVKHFQW-UHFFFAOYSA-N 297.379 3.680 30 20 CHED Cc1cc(C)nc(SCc2ccc(C#N)s2)c1 1652776341 OSGORFGNFBEFQR-UHFFFAOYSA-N 260.387 3.924 30 20 CHED CCCC[C@@H](CCC)CNc1ccc(C(=O)O)nc1C#N 1595632759 QBTRNISGMSHNHO-GFCCVEGCSA-N 289.379 3.670 30 20 CHED CC(C)(CF)NC(=O)Nc1scc(C(C)(C)C)c1C#N 1662084977 VHXRKSNRYZLMID-UHFFFAOYSA-N 297.399 3.787 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CC[C@@H]2C[C@@H](C)C[C@@H](C)C2)C1 1776160486 JGIHJBWCAIKBEL-LHHMISFZSA-N 293.451 3.802 30 20 CHED C=CC[C@]1(C(=O)O)CCN(C[C@H](C)C2CCCCC2)C1 1776159533 CIZAAJWURGXBIE-YOEHRIQHSA-N 279.424 3.556 30 20 CHED CCCc1ccc(C(=O)/C=C\c2ccc(C(=O)O)nc2)cc1 1776113153 ZLZABBMAZBMCCO-XFFZJAGNSA-N 295.338 3.628 30 20 CHED C=CCCCCN1CCCC[C@H]1c1ccc(C(=O)O)n1C 1776174881 YGHHRSBQRHTLSO-HNNXBMFYSA-N 290.407 3.607 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)c2ccccc2)c1 169406760 MJMVFOOLLYSGEY-UEMWTREESA-N 255.317 3.581 30 20 CHED COc1ccc(/C=C\C(=O)c2sccc2C)cc1 169601656 OKJHOWJGAZKWAK-YVMONPNESA-N 258.342 3.961 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C#N)cc1 160014836 WTOWKTVRAHEGKZ-KGLIPLIRSA-N 282.368 3.670 30 20 CHED CC[C@@H](Nc1nccc(C#N)c1[N+](=O)[O-])C1CCCCC1 167515020 MTXHOOYYCZJHIV-CYBMUJFWSA-N 288.351 3.632 30 20 CHED C=CC1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1 153023928 BYMPXDNKINRCRI-UHFFFAOYSA-N 282.746 3.909 30 20 CHED Cc1cc(C)c(C(=O)N[C@H](CCC#N)c2ccccc2)o1 153744370 UNUCAPWKHLVQPN-OAHLLOKOSA-N 282.343 3.671 30 20 CHED C#CCCCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 156557820 NHFVZGOCHYVVMG-RYUDHWBXSA-N 293.769 3.502 30 20 CHED CC#CCCS[C@@H](C)c1nc(-c2ccccc2)no1 154965644 HDUBOZQFCBYNTQ-LBPRGKRZSA-N 272.373 3.944 30 20 CHED CC[C@H](C)CS[C@H](C)C(=O)Nc1cccc(C#N)c1 124359180 FIIXUMGUOVIECA-NWDGAFQWSA-N 276.405 3.665 30 20 CHED C=CCCCCN1CCC[C@@H]1C[C@H](O)c1cccs1 828012209 KBZGXJKFDZVPKE-CABCVRRESA-N 279.449 3.992 30 20 CHED COc1cc(C#N)cc(OCc2csc(C(C)C)n2)c1 234907110 FOXHNHDINFSKFV-UHFFFAOYSA-N 288.372 3.726 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(F)c(Cl)c1 147872774 AWWUCXKHKHTRAV-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@H]1C[C@H](NCc2cccc(C#N)c2)c2ccccc21 264398642 VBGSJFZHABOJMW-UGSOOPFHSA-N 262.356 3.896 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(C)c1Br 274708686 ZXDZYTFYQSTQKE-UHFFFAOYSA-N 294.192 3.746 30 20 CHED CC[C@@H](NCc1ccc(OCC#N)cc1)c1cccs1 48417014 JJURQADPTWUABO-OAHLLOKOSA-N 286.400 3.891 30 20 CHED CCc1nc(C)c(CNc2ccc(Cl)cc2C#N)o1 292265416 LBNKKNSHCOAWLI-UHFFFAOYSA-N 275.739 3.683 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1cccc(C#N)c1 61801565 ZMDOPUBIBYFVMJ-AWEZNQCLSA-N 250.345 3.751 30 20 CHED CC(C)(C#N)CCCOc1cnc2ccccc2c1 187898146 YWKWWEDJPBEHNQ-UHFFFAOYSA-N 254.333 3.944 30 20 CHED CC[C@H](CNCc1ccc(C#N)s1)CC(F)(F)F 402638512 BWPBBUSUSKWQEZ-VIFPVBQESA-N 276.327 3.688 30 20 CHED Cc1occc1CNc1ccc(C#N)c(Br)c1 321148109 ZBQBHIZVARBXNC-UHFFFAOYSA-N 291.148 3.834 30 20 CHED N#CC1(CCS(=O)(=O)C2CCCCC2)CCCCC1 414203758 ALOHNNPZNZGOLY-UHFFFAOYSA-N 283.437 3.598 30 20 CHED CC(C)(CCC#N)CNCc1ccsc1Cl 336662334 KFMGVEQTWLOMTJ-UHFFFAOYSA-N 256.802 3.821 30 20 CHED Cc1nc(N2CC[C@@H](C3CCCC3)C2)c(Cl)cc1C#N 708800598 WANOTMOZZYUCJT-CYBMUJFWSA-N 289.810 3.932 30 20 CHED CC(F)(F)CNc1ccc(C(F)(F)F)c(C#N)c1 582015927 WYHULVAGAJEXTI-UHFFFAOYSA-N 264.197 3.644 30 20 CHED C=CCC(C)(C)CN[C@H]1CCc2ccc(OC)cc21 389205603 SICOAXQHKZBSJN-INIZCTEOSA-N 259.393 3.874 30 20 CHED CCC(Cc1cccs1)=NNCc1ccccc1 730947420 QIQUBFAXMIPZIS-UHFFFAOYSA-N 258.390 3.846 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc3ccccc3[nH]2)c1 103028940 WQBNCQYCZPAHLK-UHFFFAOYSA-N 288.350 3.816 30 20 CHED CCOc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1 55768219 FRMJMBPKWQWQCO-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2cccs2)cc1 57737131 CMYOZYGXRNOURB-LZGFCCKTSA-N 283.352 3.935 30 20 CHED C=CCC[C@@H](Nc1ccc(C)c(C(=O)N(C)C)c1)C1CC1 179997158 KYIVMKZGXLPPNX-QGZVFWFLSA-N 286.419 3.854 30 20 CHED C=C(C)CN1CCC(NCc2ccc([C@H]3C[C@@H]3C)o2)CC1 106245743 QYWFYFALBQSUQX-YOEHRIQHSA-N 288.435 3.533 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 179664555 COLPPKKSEIRMKS-KRWDZBQOSA-N 285.387 3.552 30 20 CHED CC(C)C[C@H](C)Nc1ncc(Br)cc1C#N 309314082 OVUVYYSVLFOETA-VIFPVBQESA-N 282.185 3.562 30 20 CHED C#CCCCCC(=O)Nc1cccc(OCC(=C)C)c1 119788898 ZNUINLFCRFTCDL-UHFFFAOYSA-N 271.360 3.774 30 20 CHED CCc1ccc2c(c1)CN(CCc1ccc(C#N)cc1)CC2 1198853423 XSPNDGKXSWDYNO-UHFFFAOYSA-N 290.410 3.721 30 20 CHED C[C@H](NC[C@H]1CCOc2ccccc21)c1ccc(C#N)cc1 174072329 CARNWIFEDWMJSC-WMLDXEAASA-N 292.382 3.775 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccn(-c2ccccc2)n1 111250423 HPASPGMMWYYHCI-UHFFFAOYSA-N 296.418 3.634 30 20 CHED CC[C@@H](CC#N)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 302147587 JZZWMYGAGHKFCO-VIFPVBQESA-N 287.241 3.718 30 20 CHED CC1(C)CC(/N=C/c2cc(Cl)ccc2O)CC(C)(C)N1 22726871 RIQOYWHZYKGCLN-VCHYOVAHSA-N 294.826 3.774 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H](C)C1 113400728 PTUUZFDENAPGRA-CKEIUWERSA-N 299.418 3.524 30 20 CHED C=CCN(Cc1cccs1)Cc1scnc1C 119945047 QRWGGMONJSOHFA-UHFFFAOYSA-N 264.419 3.701 30 20 CHED CC(C)N(C)C(=O)[C@H](C)S[C@H](C)c1ccc(C#N)cc1 177852096 MTBDUQUSVJYHOX-OLZOCXBDSA-N 290.432 3.608 30 20 CHED C=CCCCN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 247326744 GGJWMARDBJCZED-HZPDHXFCSA-N 277.408 3.914 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2c2ccccc2)cc1 111412704 DKZHJUBPRXOAGR-RTBURBONSA-N 276.383 3.984 30 20 CHED Cn1ccc2ccc(Nc3cc(C#N)ccc3[N+](=O)[O-])cc21 302650725 JVAASJQPZPOKSN-UHFFFAOYSA-N 292.298 3.702 30 20 CHED C=CC[C@H](C)NC(=O)COc1cc(C)ccc1C(C)C 116852500 ATHFGHZCYPCXHZ-AWEZNQCLSA-N 275.392 3.578 30 20 CHED N#Cc1cccc(N2CC=C(c3ccc(Cl)cc3)CC2)n1 301595988 VZXJQJOGXQYWBW-UHFFFAOYSA-N 295.773 3.900 30 20 CHED N#Cc1csc(/C=C2\CCc3cc(F)ccc3C2=O)c1 176844979 PSJSEUCHERGVLU-KPKJPENVSA-N 283.327 3.971 30 20 CHED C=C(C)CN1CCC(NC2CCC(CC)CC2)CC1 174363542 XTAZKLGMXCUJNV-UHFFFAOYSA-N 264.457 3.585 30 20 CHED N#CCCCOC(=O)C1(c2cccs2)CCCCC1 172424988 ORWJUVCUIWJVCA-UHFFFAOYSA-N 277.389 3.797 30 20 CHED N#Cc1cccc(-c2nnc(-c3cccc4c3CCC4)o2)c1 1345953246 ZSGWLNZKHLUEON-UHFFFAOYSA-N 287.322 3.764 30 20 CHED N#CCC1(COC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 174740783 PHRFMNGCUYBVAV-UHFFFAOYSA-N 298.169 3.773 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1/CCc2ccccc2C1=O 60528960 KPAYJGRCDSSFCI-RAXLEYEMSA-N 280.371 3.920 30 20 CHED COCc1cccc(CNc2cccc(C#N)c2C)c1 179032175 UNWXQHKXLYORET-UHFFFAOYSA-N 266.344 3.625 30 20 CHED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCC#N 123229358 YUCSIDUWTRFJFN-VIFPVBQESA-N 257.164 3.900 30 20 CHED CCN(CC)/C(N)=N/Cc1cccc(Oc2ccccc2)c1 303881736 LCZNESAYFDKTSN-UHFFFAOYSA-N 297.402 3.635 30 20 CHED Cc1ccc(OCC(=O)Nc2cccc(C#N)c2C)cc1C 178393961 SNGRBYNDKQLWTR-UHFFFAOYSA-N 294.354 3.501 30 20 CHED Cc1ccc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)cc1 127356569 RVQBVJJIOXIUHD-KTKRTIGZSA-N 268.360 3.912 30 20 CHED CC(C)CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 68455541 OGVVIVZOTRAWPQ-LBPRGKRZSA-N 285.174 3.720 30 20 CHED COc1ccc(CN(Cc2cc(C#N)cs2)C2CC2)cc1 120733101 MIVBMQYJOLSOGG-UHFFFAOYSA-N 298.411 3.793 30 20 CHED Cc1cc(C)cc(N/C(N)=N/CC2(c3ccccc3)CC2)c1 303793849 ZWTBFCXFMXSXOC-UHFFFAOYSA-N 293.414 3.762 30 20 CHED C[C@H](Nc1ccc2c(c1)OCCO2)c1cccc(C#N)c1 37201173 ADFIPLYDAZBBFC-LBPRGKRZSA-N 280.327 3.503 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 181231676 DPAVYBUVCZSYEK-WQVCFCJDSA-N 283.375 3.601 30 20 CHED CC(C)N(CCC(C)(C)C#N)Cc1ccc(C#N)cc1 119622222 JGEBYAOKVURHBH-UHFFFAOYSA-N 269.392 3.709 30 20 CHED COc1cc([C@@H](C)NCCCC#N)ccc1OCC(C)C 180099279 VQFGZBPHCRAFSZ-CQSZACIVSA-N 290.407 3.684 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1c(F)ccc(F)c1F 121635891 GBWJGIVGCRTFPC-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1cc(OCC(=O)Nc2ccccc2)c(C)c(C)c1C#N 319466798 VWDRQOHTVNUVBI-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C[C@H](CCc1ccccc1)Nc1ccc(C#N)c([N+](=O)[O-])c1 316995961 MPBRBYCEEPKESV-CYBMUJFWSA-N 295.342 3.900 30 20 CHED C=CC1CCN(C(=O)c2ccc(Cl)cc2OCC)CC1 181773722 RWVGTCLULFDAES-UHFFFAOYSA-N 293.794 3.777 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCc1cccs1 412811489 BXYVSKJFNKYYRH-MRXNPFEDSA-N 299.439 3.984 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 37214518 AGYFSOWOASZNEP-HNNXBMFYSA-N 280.371 3.748 30 20 CHED N#CCN(Cc1sccc1Br)C1CCCC1 78003474 CRXQZYDQICOXDP-UHFFFAOYSA-N 299.237 3.779 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(OC)cccc1SC 417695507 UNLBWXHNUZTQFQ-SNVBAGLBSA-N 280.393 3.503 30 20 CHED C=CC1CCN(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1 126276826 WEQHDMYOSUXVMT-GOSISDBHSA-N 298.430 3.615 30 20 CHED CC[C@@H](C)n1c(S[C@H](C)C#N)nnc1-c1ccccc1 504315757 XNRGHRUHSFHIBT-VXGBXAGGSA-N 286.404 3.920 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc(C)c(F)c2)no1 188015504 PBFFUHUCVKQNSG-INIZCTEOSA-N 290.338 3.664 30 20 CHED N#CCCCC[S@@](=O)Cc1ccc(C(F)(F)F)cc1 78703292 VZJDCSYVQQDPEF-IBGZPJMESA-N 289.322 3.648 30 20 CHED C=CCOCCS[C@H](C)c1nc(-c2cccs2)no1 419391920 XRIBQDDHHTZMFZ-SNVBAGLBSA-N 296.417 3.795 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCCCC(C)(C)C#N 189494135 UJUJOCBTTUMOPW-ZIAGYGMSSA-N 268.470 3.970 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC)CSc1ccccc1 183376894 LCOUYBUBPYWYIU-AWEZNQCLSA-N 292.448 3.775 30 20 CHED Cc1c(C(=O)OCC2(C#N)CCC2)oc2c(C)cccc12 183845280 CGJNMYUEXAUWLZ-UHFFFAOYSA-N 283.327 3.900 30 20 CHED COc1cccc(CCCN[C@H](C)c2cccc(C#N)c2)c1 181977860 OGPNRKOJLQYWRM-OAHLLOKOSA-N 294.398 3.850 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C)c1ccccc1 416061120 CWNOGCNHFOPPLL-YHUYYLMFSA-N 271.404 3.849 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cccc(C(C)=O)c1 188034520 IPEDXVBZPHWBMO-MRXNPFEDSA-N 260.333 3.535 30 20 CHED N#CC1(C(=O)N2CC=C(c3ccc(F)cc3)CC2)CCCC1 71794478 DZEWCTDSISVMMB-UHFFFAOYSA-N 298.361 3.525 30 20 CHED N#Cc1cccc(OCc2ncc(-c3ccccc3F)o2)c1 133014876 CLFUYDKJJIRCHH-UHFFFAOYSA-N 294.285 3.931 30 20 CHED CC(C)N(C(=O)CSCC1(C#N)CCC1)C1CCCC1 419587397 SLUJFSFTJWDNNO-UHFFFAOYSA-N 294.464 3.593 30 20 CHED CC(C)CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CC1 47052077 FWYMRJWKXFWCDG-AWEZNQCLSA-N 299.418 3.839 30 20 CHED C#Cc1cccc(NCc2ncccc2C(F)(F)F)c1 130469155 IHWHPHIHYNXQGR-UHFFFAOYSA-N 276.261 3.694 30 20 CHED CC1(C)CCC[C@H](C(=O)N2CCc3cc(C#N)ccc32)C1 416008853 CICMZNRIZFJZJW-HNNXBMFYSA-N 282.387 3.664 30 20 CHED C=CCC[C@@H](C)Nc1cccc([C@@H](C)C(=O)OC)c1 414483814 GBIWEBQEWNNXOS-CHWSQXEVSA-N 261.365 3.730 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](C)C#N 410882823 KEXUADJYRFDRQH-DZGCQCFKSA-N 264.413 3.599 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 135685319 QOHSEOAEFRJRLF-GFCCVEGCSA-N 289.354 3.741 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(C)c2cccc(C#N)c2)C1 131859020 HFOZWGBYTQJAIT-ZIAGYGMSSA-N 270.376 3.737 30 20 CHED N#Cc1cc(F)cc(NCc2ccc3c(c2)CCC3)c1 600856526 NQFMJWXORAJXSQ-UHFFFAOYSA-N 266.319 3.798 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])s1)c1ccc(C#N)cc1 49065580 YUGCTFGBTIMVHS-SECBINFHSA-N 273.317 3.701 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(O)=Nc1nc2cccnc2n1C 329402029 YJSMAPZBHQFMPB-NEPJUHHUSA-N 286.379 3.773 30 20 CHED O/C(=N/Cc1ncccc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329920937 HEOOVMDOLQJZLZ-MELADBBJSA-N 288.391 3.850 30 20 CHED C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1cccs1 46889806 LHRJQZCRAWYMPB-LBPRGKRZSA-N 299.399 3.522 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)CCCSCC#N 173869346 HWXRTZOZYAXXAI-GFCCVEGCSA-N 282.840 3.980 30 20 CHED CC(C)N(CCC#N)C(=O)c1csc2c1CC[C@@H](C)C2 522590366 NNCJNIHSDNBINE-GFCCVEGCSA-N 290.432 3.637 30 20 CHED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(O)c1 131118627 VCXBIYPUNPJLFH-LWUHNEAVSA-N 295.294 3.753 30 20 CHED CC(C)c1ccc(C[C@H](C)NC(=O)C2(C#N)CCCC2)cc1 134176786 GRNQPPQFZWAYGJ-HNNXBMFYSA-N 298.430 3.941 30 20 CHED COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1C 193121485 MBKZHZJBJSCQKG-BJMVGYQFSA-N 297.310 3.808 30 20 CHED N#Cc1ccc(F)c(CSCc2nccn2C(F)F)c1 83635038 ZWWFVYMKPTXYCG-UHFFFAOYSA-N 297.305 3.722 30 20 CHED CCc1ccc([C@H](C)C(=O)NCc2ccc(C#N)s2)cc1 421601945 QOXZFUNYAGTEAJ-LBPRGKRZSA-N 298.411 3.602 30 20 CHED Cc1cccc(C[S@@](=O)CCCC(C)(C)C#N)c1 87611153 KQMJXJVMVMOPNP-GOSISDBHSA-N 263.406 3.574 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1csc(C2CC2)n1 194808675 ZNOYCCPHQYLSFZ-UHFFFAOYSA-N 298.411 3.849 30 20 CHED CCC[C@H](C#N)NC(=O)C1(c2cccs2)CCCCC1 91968017 BFKYAYZUEWIGIF-CYBMUJFWSA-N 290.432 3.758 30 20 CHED Cc1ccc(CCC(=O)NC2(C#N)CCCCC2)c(C)c1 330430170 IHUMZHPOOGHYGQ-UHFFFAOYSA-N 284.403 3.579 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(CC2CC2)CC2CC2)cc1 93480085 MVGKCUKHFDXUHJ-AWEZNQCLSA-N 284.403 3.599 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SCCCCCO 510196403 HIOCSJUERGGKIM-UHFFFAOYSA-N 298.411 3.875 30 20 CHED C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)[C@H]1c1ccccc1 335557622 HFJYZRAQSHHWAF-GDBMZVCRSA-N 282.387 3.680 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C#N)cs1 437572586 YHHDFEULQGNDPV-KGLIPLIRSA-N 290.432 3.954 30 20 CHED N#CCN(Cc1cc2c(F)cccc2[nH]1)C1CCCC1 438099156 SLTBENPTZAVBCL-UHFFFAOYSA-N 271.339 3.575 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)c1cc(C#N)cs1 334783026 MNGZFOBOTUTKIM-UHFFFAOYSA-N 290.775 3.858 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NCCCC1(C#N)CCOCC1 337207141 NXNFRWONIKREOK-HOTGVXAUSA-N 292.467 3.891 30 20 CHED CS[C@@H]1CCCCN(CC(C)(C)CCC#N)C1 92064332 ZAVLNDRQORSYQY-CYBMUJFWSA-N 254.443 3.534 30 20 CHED CCCN(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 384401190 MAPOFHYVBURJJL-UHFFFAOYSA-N 294.398 3.979 30 20 CHED CC(C)C1CCC(CNC(=O)C2(C#N)CCCC2)CC1 432328018 JEKVWTJWIFFFOV-UHFFFAOYSA-N 276.424 3.649 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccc(C)o1 92504323 BQESZPPQBBHLSF-UHFFFAOYSA-N 266.344 3.648 30 20 CHED CC(C)[C@@H]1N(Cc2cccc(C#N)c2)CC12CCC2 430090512 NWFRTXJKTIBZGX-INIZCTEOSA-N 254.377 3.569 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@H](C)C2(CCC2)C1 432573866 NOPWNKWXBZAKGL-AWEZNQCLSA-N 278.440 3.810 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 249106657 QQGCTNPYRKZGSV-JJRVBVJISA-N 281.440 3.546 30 20 CHED Cc1cc(C(F)(F)F)c(C#N)c(SCCCC#N)n1 248123238 VYVSCBCUUMNKEO-UHFFFAOYSA-N 285.294 3.676 30 20 CHED Cc1cccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 342607345 RHCSFHOESZHWFR-MOPGFXCFSA-N 291.398 3.662 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H](C)c2ccccc21 348190639 CUKXBCFLJVZBNK-LSDHHAIUSA-N 287.403 3.898 30 20 CHED C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)[C@H]1C1CC1 528916815 WUGLQBOEVMSDOD-PQSSYKNCSA-N 290.366 3.703 30 20 CHED CCOc1ccc(CNc2ccc(F)c(C#N)c2)cc1 51634965 YCXXQEOMUKPYBK-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CCN(C[C@H](C)C#N)[C@H]1CCCc2ccc(F)cc21 245774799 LFNYLEHTUSULFL-WBMJQRKESA-N 260.356 3.685 30 20 CHED C=CCOCCCc1nc(C2CCC(C)(C)CC2)no1 347477914 AWCYOBOSWQTQBJ-UHFFFAOYSA-N 278.396 3.889 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](C)OCCC(C)C)s1 341506274 LEKWOEJWOPGJLX-NSHDSACASA-N 294.420 3.572 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@@H]1c1ccccc1 432554158 BXTCLSKUMXTGLO-OAHLLOKOSA-N 272.392 3.745 30 20 CHED Cc1ccc(NC(=O)C(C)C)cc1NC[C@@H](C)CCC#N 602491676 CTNJMVNLPYGTTC-ZDUSSCGKSA-N 287.407 3.941 30 20 CHED CCc1ccc(C[S@](=O)CCCC(C)(C)C#N)cc1 600940984 SSGCVMRDFGVUDP-LJQANCHMSA-N 277.433 3.828 30 20 CHED C[C@H](CCC#N)CN[C@H](CCC#N)c1ccccc1 602581167 IHCHHOONKZHGFN-GDBMZVCRSA-N 255.365 3.561 30 20 CHED Cc1csc(NC(=O)c2ccc(Cl)cc2)c1C#N 344934950 ZOZQKIVZTLFAMN-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCCC1CCC(CN(CCC#N)CCC#N)CC1 180043719 BFDDHYVYGMHAMX-UHFFFAOYSA-N 261.413 3.722 30 20 CHED CC[C@H](N[C@H](C)c1ccnc(OC)c1)c1ccc(C#N)cc1 348642783 NQZIYYFWVSCKCY-DYVFJYSZSA-N 295.386 3.764 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3ccccc3)n2c1 255385250 FUTLKRNTZBWLLT-HJWRWDBZSA-N 262.312 3.539 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cc(C)c(O)c(C)c1 255337469 SRSIJQCGPWDEHO-PLNGDYQASA-N 256.301 3.807 30 20 CHED N#Cc1ccc(Oc2cnc3ccc(Cl)cc3c2)nc1 343071045 DKSVQJCXVXSPGK-UHFFFAOYSA-N 281.702 3.947 30 20 CHED C=C1CCN(C(=O)C2(Cc3ccccc3)CCC2)CC1 342655032 CDLOXGRXMARJPW-UHFFFAOYSA-N 269.388 3.578 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc2c(F)cccc2c1 345498125 ZTFOUVGAHUQUFV-GFCCVEGCSA-N 286.350 3.849 30 20 CHED N#Cc1ccc(Cn2ccc(-c3ccccn3)n2)c(Cl)c1 348124835 HCQJRQIWMLHPLB-UHFFFAOYSA-N 294.745 3.518 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)c1ccc(C#N)s1 529798485 DUMRBMSMCARJQX-CQSZACIVSA-N 298.411 3.761 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cccc(CC#N)c1)C2 603737646 VCHPMVKENAKUFC-FCEWJHQRSA-N 296.414 3.697 30 20 CHED CCC(C)(C)C1CCC(NC(=O)c2cnccc2C#N)CC1 341592799 HIHIQELDCFOWEE-UHFFFAOYSA-N 299.418 3.678 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)CCCC1 449858454 UDLQDAUAWDAKOQ-UHFFFAOYSA-N 296.374 3.547 30 20 CHED CC(C)(CC#N)CNCc1cc(Cl)cc(Cl)c1N 602689294 BKBJUIPESPKLOH-UHFFFAOYSA-N 286.206 3.605 30 20 CHED N#Cc1cc(NCc2cccc3c2CCOC3)ccc1Cl 600850967 VMGCJBDTOOVPNE-UHFFFAOYSA-N 298.773 3.896 30 20 CHED C=CCCCSCC(=O)N1CCCc2ccccc21 522757406 FRGLSBRLHBHSME-UHFFFAOYSA-N 275.417 3.665 30 20 CHED C=CC[C@@H](CO)CNCc1ccc(-c2ccccc2)s1 537021721 JXBQOPFKVNVVSQ-CQSZACIVSA-N 287.428 3.689 30 20 CHED Cc1cc(C)c(CNC(=O)c2ccccc2CC#N)c(C)c1 600990245 PPDBRBVMXWBFGP-UHFFFAOYSA-N 292.382 3.608 30 20 CHED C[C@H]1CCN(CCCCC(C)(C)C#N)CC1(F)F 444692641 FRNMQOQRTYRXIK-LBPRGKRZSA-N 258.356 3.684 30 20 CHED N#Cc1cccc(S[C@@H]2CCO[C@H](c3cccnc3)C2)c1 600529366 MPVMYHUWOYWZFB-SJORKVTESA-N 296.395 3.966 30 20 CHED COc1cccc(C=Nc2cc(F)c(F)cc2F)c1O 255186865 VFXZENUWIKDULZ-UHFFFAOYSA-N 281.233 3.569 30 20 CHED C=CC[C@H]1N(C(=O)NCCCCCOC)CCCC1(C)C 445008774 IQIRFRIITJVGAL-OAHLLOKOSA-N 296.455 3.579 30 20 CHED CCc1nc([C@@H](C)NC2CCC(C)(C#N)CC2)cs1 449159319 ZFVXHSFTEWQGGA-XIKARTHZSA-N 277.437 3.829 30 20 CHED C=CC(C)(C)C(=O)N(C)c1cccc(OC(F)(F)F)c1 448902280 ZUIOQVVSLVTTOI-UHFFFAOYSA-N 287.281 3.760 30 20 CHED CC(C)C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 443506757 DFCSGUWAHCJAEM-NSHDSACASA-N 297.324 3.844 30 20 CHED COC(=O)c1ccc([C@@H](C)Sc2ccccc2C#N)o1 357503177 MXKYGRLUWYRXLW-SNVBAGLBSA-N 287.340 3.791 30 20 CHED CC(C)Oc1ccccc1CNC[C@H](C)CCC#N 602517380 AJLSTTHFXLSKDW-CQSZACIVSA-N 260.381 3.503 30 20 CHED C=CCCCS[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 609804746 DWKRVQZJXMSPKE-BFHYXJOUSA-N 269.454 3.769 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1C#N 531192041 UVRVOOXOQPAXNS-AWEZNQCLSA-N 296.345 3.905 30 20 CHED Cc1ccccc1O[C@H](C)CNCc1ccc(C#N)cc1F 533308847 CDVRJBIMAYWGKO-CQSZACIVSA-N 298.361 3.563 30 20 CHED Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1C#N 618194398 DPNKORPIMMVETJ-AWEZNQCLSA-N 275.355 3.589 30 20 CHED C=CCC[C@H](Nc1ccc(C(C)(C)C(N)=O)cc1)C1CC1 539738568 ZHYUPUFEEYKSGR-INIZCTEOSA-N 286.419 3.606 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)Cc2ccccc21 534666720 SJFDFNTVRTUTLZ-UHFFFAOYSA-N 276.383 3.852 30 20 CHED C[C@@H](c1ccncc1)N1CC=C(c2ccc(C#N)cc2)CC1 611245198 FWFBRPUSPNILAP-HNNXBMFYSA-N 289.382 3.804 30 20 CHED C=CCCNC(=O)c1ccc(OCCCC)c(OCC)c1 617611806 RCMSRORLMGPEIB-UHFFFAOYSA-N 291.391 3.570 30 20 CHED C[C@]1(C#N)CCCN(CCCOc2cccc(Cl)c2)C1 612165577 MPHQRANDZNNAGH-MRXNPFEDSA-N 292.810 3.735 30 20 CHED C=C(CNCc1ccc(C)c(OC)c1)c1ccccc1 447819866 CNFKIRDQTILGLJ-UHFFFAOYSA-N 267.372 3.807 30 20 CHED C[C@H](NC(=O)CCCC(C)(C)C)c1cccc(C#N)c1 610363332 KCNPZACYYGIOEQ-ZDUSSCGKSA-N 272.392 3.952 30 20 CHED C=CCSCCNc1nccc2ccc(F)cc12 354569595 QETCAXLWBFLAPJ-UHFFFAOYSA-N 262.353 3.705 30 20 CHED Cc1cc(N[C@@H](C)CC#N)c(C(F)(F)F)cc1[N+](=O)[O-] 359876431 LNIYIAPXDKVQPG-QMMMGPOBSA-N 287.241 3.636 30 20 CHED N#Cc1ncccc1N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 357536227 UDFWFVGUMUSDFJ-TVQRCGJNSA-N 287.725 3.714 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 264785687 QRXYCWAZSZTSQN-BZSNNMDCSA-N 292.382 3.608 30 20 CHED C=C(C)CCN1Cc2ccc(OC)cc2C2(CC2)C1 352424004 PZKACGISIIUXSI-UHFFFAOYSA-N 257.377 3.509 30 20 CHED Cc1cc(-c2noc(-c3ccc(CC#N)cc3)n2)ccc1F 535406295 LBVYZWKZHUQUIX-UHFFFAOYSA-N 293.301 3.917 30 20 CHED CC[C@@H](F)CNc1cc(C#N)ccc1OC(C)C 442112807 QIYGEHGVSMASTH-GFCCVEGCSA-N 250.317 3.505 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C#N)cc1 265438807 YHHOCIBKOXCECL-XNRPHZJLSA-N 283.375 3.743 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)C12CC3CC(CC(C3)C1)C2 615092150 CEVCTLSKJYILLR-GOBPUOAWSA-N 295.430 3.648 30 20 CHED C[C@H]1CCN(Cc2cc(C#N)cs2)CC12CCC2 354916682 HWJGIJBDXFRZQD-LBPRGKRZSA-N 260.406 3.632 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](CC(C)C)c1ccccc1 358058101 QFCUAARJQPLSFU-CVEARBPZSA-N 272.392 3.625 30 20 CHED COC1CCC(C)(CNc2c(F)cc(C#N)cc2F)CC1 359840108 BYOMKVJEICDHIB-UHFFFAOYSA-N 294.345 3.844 30 20 CHED CC(C)(C)OC(=O)CCS[C@@H](C#N)Cc1ccccc1 619648810 MJMFZJSSVZWSLE-CQSZACIVSA-N 291.416 3.586 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)ccc1OC 538329135 IYZGQQIZXLNOIJ-LLVKDONJSA-N 281.783 3.823 30 20 CHED Cc1ccc(C)c(OCCN[C@@H](C)c2cccc(C#N)c2)c1 611386001 AHQZEVDBOMBBPP-INIZCTEOSA-N 294.398 3.905 30 20 CHED C=CCCC[C@@H](C)NC1CCC(c2nc(C)no2)CC1 368354434 INCCSULIRAVMQP-LRVUVFPRSA-N 277.412 3.739 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H](C2CC2)C1)c1ccccc1 364417649 QHIDNYLJWCJNBB-IRXDYDNUSA-N 269.388 3.605 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(CC)c(C)c1 536719899 SBDJWFSVJNUTTN-UHFFFAOYSA-N 260.381 3.987 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 619433445 CCHLRXNFCVADSI-BPUTZDHNSA-N 296.414 3.654 30 20 CHED CC(C)[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)CS1 618831490 UDSROCUPFYOIQV-XIRDDKMYSA-N 286.444 3.665 30 20 CHED C=CCC1(CNC(=O)Nc2c(C)noc2CC)CCCC1 455028342 XQIBUTBNHUSJKX-UHFFFAOYSA-N 291.395 3.803 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc(CCO)cc1 611475959 AMMMKRKQLYYKDG-LJQANCHMSA-N 292.382 3.583 30 20 CHED CCSCc1ccc(C(=O)NCC(C)(C)CC#N)cc1 457989288 NARVQBXSFWFUGE-UHFFFAOYSA-N 290.432 3.609 30 20 CHED C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C1CCOCC1 360648740 RXPCMTXUIBPBER-KUHUBIRLSA-N 298.430 3.730 30 20 CHED C#CCCCNC(=O)Nc1cc(-c2cccnc2)ccc1C 366727626 OJYOFNIXTHPJLK-UHFFFAOYSA-N 293.370 3.592 30 20 CHED N#CC1(c2nc(-c3ccc4[nH]ccc4c3)no2)CCCC1 273685149 ITJFPXQBEXQTQW-UHFFFAOYSA-N 278.315 3.553 30 20 CHED N#C[C@H]1CC[C@H](NCC2(Cc3cccc(Cl)c3)CC2)C1 459648790 AOASLFBSHZGFMX-HOCLYGCPSA-N 288.822 3.945 30 20 CHED C=C(CC)CN(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 452025170 ZPDRUSJHWFJEPF-WKILWMFISA-N 259.393 3.839 30 20 CHED C=CCN(C(=O)c1ccc2sccc2c1)[C@@H](C)COC 617580213 SLEAVEGNAIASMZ-LBPRGKRZSA-N 289.400 3.564 30 20 CHED Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 611465980 BFONXAQEUNLICM-QWHCGFSZSA-N 283.350 3.813 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Cc2ccccc2Cl)CC1 270049396 UQIVRKWLXJMRQV-ZDUSSCGKSA-N 277.795 3.697 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc2ccccc2o1 274628951 OKPWAGVGGRQWBK-SCRDCRAPSA-N 254.333 3.776 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 362692052 NZNSKMRUIHXYQC-NEPJUHHUSA-N 289.404 3.634 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCSC2)CCCCC1 451792173 SLYLCUCIUZZGLZ-AWEZNQCLSA-N 281.465 3.772 30 20 CHED C[C@@H](NCc1ccc2c(n1)CCCC2)c1cccc(C#N)c1 277605537 MXASUWUFWJYZAI-CQSZACIVSA-N 291.398 3.683 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccnc(Oc2ccccc2)c1 362680789 VZPXVNVGSRPDBN-LBPRGKRZSA-N 283.331 3.570 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C)cnc1Cl 276526256 UAYYDAOWKYNPCH-CYBMUJFWSA-N 252.745 3.584 30 20 CHED CC[C@H](C)n1nc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1C 540493328 ZFEUFGBGAKNMKM-JTQLQIEISA-N 299.334 3.686 30 20 CHED Cc1ccnc(NC[C@@H](C)c2ccc(F)cc2)c1C#N 541278498 MQXVNGLATVMLCH-GFCCVEGCSA-N 269.323 3.616 30 20 CHED Cc1cc([C@H](N[C@H]2CC[C@@H](C#N)C2)C2CC2)ccc1F 274594052 FXIAYCNWFNNVQH-ISTRZQFTSA-N 272.367 3.867 30 20 CHED C=CCC[C@@H](NC(=O)c1cn(CC)nc1C)c1ccccc1 626216211 IAFUYIYIPCFHSH-QGZVFWFLSA-N 297.402 3.649 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(C)c(F)c1 540489771 GFKHKJXKXNGYMY-ZDUSSCGKSA-N 278.371 3.678 30 20 CHED C=CCCCCCN1CCC(c2cc(C)n[nH]2)CC1 278889709 QEBBJQLAWVMWGA-UHFFFAOYSA-N 261.413 3.644 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(Cl)cc1OCC 469663140 UYMGZRLHUXYMQY-JTQLQIEISA-N 282.771 3.825 30 20 CHED N#Cc1cccc(CCN[C@H]2CCc3cc(F)ccc32)c1 467456571 UZXDJAIOVPESLB-SFHVURJKSA-N 280.346 3.517 30 20 CHED C=CCN(C(=O)c1cc(C)c(C)s1)C(C)(C)C 622943361 ZWBGVVVPRKWGJJ-UHFFFAOYSA-N 251.395 3.792 30 20 CHED N#Cc1cccc(CCN[C@H](Cc2ccccc2)C2CC2)c1 467442584 NHNIBNMUSRWRRT-HXUWFJFHSA-N 290.410 3.712 30 20 CHED C[C@H](C(=O)NCC[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 462064890 HMFUAOZTIZCJRO-VYDXJSESSA-N 298.430 3.994 30 20 CHED CCC[C@@H](C)[C@@H](CC)NCCc1cccc(C#N)c1 467433387 PWWAMKGHLAZQHW-RHSMWYFYSA-N 258.409 3.905 30 20 CHED C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 463648466 HZCINWPGRKSWAI-ZDUSSCGKSA-N 295.342 3.706 30 20 CHED C=C(C)Cn1c(N2C[C@@H](C)C[C@@H](C)C2)nnc1C(C)(C)C 559024519 LICLJGBJJGRKEP-OKILXGFUSA-N 290.455 3.634 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C(C)C)nc2C)o1 280909735 FPTFBAQPVCUYFN-VOTSOKGWSA-N 258.321 3.570 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H](Cc2ccccc2)C1 378402845 WTJWVXDCDMPPHX-SFHVURJKSA-N 283.415 3.661 30 20 CHED C=CCC[C@H](Nc1cnn(-c2ccccn2)c1)c1ccco1 556895230 LYODBUZOZGJLHR-HNNXBMFYSA-N 294.358 3.980 30 20 CHED N#CCN[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 551428663 WKHXHQBENWLSAC-CABCVRRESA-N 262.784 3.869 30 20 CHED N#Cc1c(Cl)nsc1NC[C@H]1CCCC(F)(F)C1 281787955 FHKSWFQYPPHSKW-ZETCQYMHSA-N 291.754 3.906 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1SCCc2sccc21 281050649 KEMSLHLETHGVRN-ZWNOBZJWSA-N 281.446 3.549 30 20 CHED CC[C@H](CNc1cc(C#N)ccn1)c1ccccc1 557477041 KQHKJQKJHBEZRQ-CQSZACIVSA-N 251.333 3.559 30 20 CHED N#Cc1ccc(F)c(COC(=O)[C@H]2CCCC(F)(F)C2)c1 281810865 GUWWIHSDAYHIFC-NSHDSACASA-N 297.276 3.566 30 20 CHED Cc1ccnc(N2CCc3c(cccc3C(C)C)C2)c1C#N 473909242 BCIYVGAHWNPTIV-UHFFFAOYSA-N 291.398 3.948 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H](CC3CC3)C2)c1C#N 555247345 IZYKVTQVQIPMIP-GFCCVEGCSA-N 275.783 3.542 30 20 CHED C=CCC[C@@H](C)NCc1c(F)cccc1N1CCCC1 556911379 CYZXGHWMLJDWKJ-CQSZACIVSA-N 276.399 3.870 30 20 CHED Cc1ccc2sc(C(=O)N3CCC(C#N)CC3)cc2c1 290102976 IBOLXOAFQXAPRF-UHFFFAOYSA-N 284.384 3.586 30 20 CHED N#Cc1cccc(C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)c1 809105434 LCBQCZLLKFOYNJ-CALCHBBNSA-N 277.323 3.661 30 20 CHED N#C[C@H](OC(=O)Cc1coc2ccccc12)C1CCCCC1 802800162 LPQDEQMQQDNKPS-KRWDZBQOSA-N 297.354 3.991 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)c1ncc(C(C)(C)C)o1 802751577 LADYWYGPTSXOLP-QWRGUYRKSA-N 282.409 3.695 30 20 CHED CC(C)C1CCC(NC(=O)c2ccc(C#N)s2)CC1 478351682 ZZDIPOTYCFUFFY-UHFFFAOYSA-N 276.405 3.564 30 20 CHED Cc1ccsc1CCCC(=O)OCCCSCC#N 805511104 BQDQUWAUPVPWIJ-UHFFFAOYSA-N 297.445 3.569 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2c(OC)ccnc12 562694695 URWDVIVZQACETQ-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccncc1C 560103495 YWBBRXWYVOQVQM-UHFFFAOYSA-N 266.388 3.621 30 20 CHED CCSc1cccc(/C=C\C(=O)c2ccnc(O)c2)c1 806554562 AYCCMMCEKHNXLB-SREVYHEPSA-N 285.368 3.795 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(F)ncc2F)cc1C 806565306 JXIQNRXXEUUNAG-WAYWQWQTSA-N 273.282 3.873 30 20 CHED N#Cc1ccnc(NCc2cc(Cl)cc(Cl)c2O)c1 808090187 SLHJAGWJLAWUMS-UHFFFAOYSA-N 294.141 3.578 30 20 CHED C=CCCCCN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C 471620647 QQPWCXYVJJFQFM-HNNXBMFYSA-N 298.434 3.891 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cccc(F)c1 807991366 WQMUJIJILAWTHH-UHFFFAOYSA-N 287.294 3.878 30 20 CHED N#CCCCC(=O)N1C[C@H](c2ccccc2)c2ccccc21 291843448 FVCHQCWFWVOBKQ-QGZVFWFLSA-N 290.366 3.859 30 20 CHED C=CCCC1(C(=O)NCCc2ccc(Cl)s2)CC1 474904173 DXAWAPFHJUOKGQ-UHFFFAOYSA-N 283.824 3.807 30 20 CHED N#CCCCCCC(=O)Oc1cc(Cl)ccc1F 805885283 PLFUTRHHCMGLPS-UHFFFAOYSA-N 269.703 3.859 30 20 CHED N#Cc1cc(Cl)ccc1COc1ccc2c(c1)OCO2 478942578 DVUSUTLTBCVCID-UHFFFAOYSA-N 287.702 3.519 30 20 CHED C#C[C@H](C)N[C@H](C)CCc1ccc(C(F)(F)F)cc1 809682912 IGNZQCLXZXIZOI-NWDGAFQWSA-N 269.310 3.638 30 20 CHED N#Cc1ccc(N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)nc1 561358223 VUKWKKDBOPQMIX-RCCFBDPRSA-N 289.382 3.726 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(OC(C)C)c1 297334758 NILIXHXFJQVKBY-GFCCVEGCSA-N 262.353 3.560 30 20 CHED CSc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 294395890 LVLKUWGDAUVYEG-INIZCTEOSA-N 286.400 3.821 30 20 CHED C[C@H]1/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 809155921 HXXOMHSYVOGPSC-HPUUJOOBSA-N 279.295 3.978 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C#N)c2ccccc2n1 568378419 FXZLEXSMZJWKRX-NWDGAFQWSA-N 281.359 3.727 30 20 CHED N#Cc1ccc(/C=C/C(=O)N(C2CCC2)C2CCC2)cc1 293638211 FXWLMOLXRLSZEH-VAWYXSNFSA-N 280.371 3.505 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)/C=C(\C)C1CC1 299044474 SJFAMSJPPGOASA-ACCUITESSA-N 273.351 3.697 30 20 CHED C#C[C@@H](Nc1nc(CC)ns1)c1ccc(Cl)cc1F 804807431 GEKQPKRNQARCFT-LLVKDONJSA-N 295.770 3.679 30 20 CHED Cc1noc(C)c1/C=C1\C(=O)c2ccccc2[C@H]1C 809156252 JYTVWUADBSYVSI-ZJTXEKFPSA-N 253.301 3.675 30 20 CHED FCCC[C@@H]1CCCC1=NN=c1cc[nH]c2ccccc12 800813339 UXNIXSNXLJTBRG-ZDUSSCGKSA-N 285.366 3.974 30 20 CHED N#Cc1ccc(N2CC[C@@]3(CCc4ccccc4O3)C2)cc1 562237802 IRASBCSXQFRAIL-IBGZPJMESA-N 290.366 3.532 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1CCC1CCCC1 487306609 OWXLWZNIYXMWKN-UKRRQHHQSA-N 264.413 3.705 30 20 CHED COc1ccc(CNN=Cc2ccc(SC)s2)cc1 814811290 YLFJAWUVAZXUBE-UHFFFAOYSA-N 292.429 3.602 30 20 CHED C=CCC[C@@H](CC)N[C@@H](CN(C)C)c1ccc(OC)cc1 560257790 CZVYROAIVBWZPP-AEFFLSMTSA-N 290.451 3.632 30 20 CHED C=CCN(CCOC)Cc1ccc(SC(C)C)cc1 484561700 JCYKDMRUBGQZPR-UHFFFAOYSA-N 279.449 3.822 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)c(Cl)c1 567613364 BRLSZKZPBYUBIM-UPJWGTAASA-N 288.778 3.781 30 20 CHED OCCC[C@@H]1CCCCC1=NOCc1ccc(F)cc1 814903737 YJARCCFAONVWGG-AWEZNQCLSA-N 279.355 3.661 30 20 CHED C=CCOc1ccc(C=NOC2CCC2)cc1Cl 812236644 PUBPPXDBYDTNIY-UHFFFAOYSA-N 265.740 3.808 30 20 CHED C=CCC(F)(F)C(=O)N[C@@](C)(CC)c1ccccc1 815513148 WGBYGDNFWOGIOE-AWEZNQCLSA-N 267.319 3.639 30 20 CHED CCC(=CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC 819736545 KIPBFGHGVJYGKU-CYBMUJFWSA-N 270.376 3.824 30 20 CHED Cc1c(C=NNC[C@@H](C)C#N)sc2c(Cl)cccc12 814880773 DQEFJUQBWYUXON-VIFPVBQESA-N 291.807 3.946 30 20 CHED COc1ccc(NN=C2CC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 814882914 RTWURDNMKQUPBJ-GFCCVEGCSA-N 289.335 3.581 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1ccc(C#N)c(F)c1 573170417 YIRDPORXBSUEAH-NSHDSACASA-N 277.343 3.740 30 20 CHED C=CCN1CCC(N[C@@H]2CCc3cc(C)cc(C)c32)CC1 655711195 GGQJUZJDNPQSND-GOSISDBHSA-N 284.447 3.531 30 20 CHED CC(=NN[C@H](C)COc1ccccc1)C1CCSCC1 811664494 FIGMSELTRJTUFZ-CYBMUJFWSA-N 292.448 3.563 30 20 CHED CC(C)[C@H]1C[C@@H](NC[C@H](C#N)CCC#N)c2ccccc21 578007554 WAHVGCVSERBMEZ-BMGDILEWSA-N 281.403 3.904 30 20 CHED CCCCC1CCC(C(=O)N[C@](C)(C#N)CSC)CC1 570883553 SUZPDHNMJLGLNR-ZBCRRDGASA-N 296.480 3.744 30 20 CHED C=C[C@@H]1CCCCN1Cc1ncc(Cl)cc1Cl 489420975 AXRFPWYZOGBBBQ-LLVKDONJSA-N 271.191 3.929 30 20 CHED CCc1ccc(CCN[C@H]2CCc3ccc(C#N)cc32)cc1 576745284 JNQZRAXBZIOWIE-FQEVSTJZSA-N 290.410 3.940 30 20 CHED N#Cc1sc(NC(=O)CCC2CCCC2)nc1Cl 813370449 MKXAGISPVWSEMF-UHFFFAOYSA-N 283.784 3.577 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc(C)nc1C 814821044 UJPBEXCUTWUOME-UHFFFAOYSA-N 297.362 3.518 30 20 CHED Cl/C=C\CON=C1CCOc2c(Cl)cccc21 814934101 LOOVWTJODQLYOK-FCXOSRFTSA-N 272.131 3.596 30 20 CHED C=CCCCCCCCNC(=O)c1ccn(C(C)C)n1 810767467 UJBBLIRBZCANPZ-UHFFFAOYSA-N 277.412 3.720 30 20 CHED C=C(C)CNC(=O)NCC1(c2ccc(Cl)cc2)CCC1 488564985 RMYAGXCYQJMJOI-UHFFFAOYSA-N 292.810 3.637 30 20 CHED CCCC(=NN=c1cc[nH]c2ccccc12)c1cccnc1 814841112 BBGPUWWNQCVQII-UHFFFAOYSA-N 290.370 3.668 30 20 CHED C[C@@H]1C[C@H]1[C@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 579667577 PGOXMZIOCBTPJM-QSGSBWRWSA-N 298.777 3.811 30 20 CHED COc1cccc(CC(=NOCCC2CC2)C2CC2)c1 814246876 GRUZPTDRNFCWGC-UHFFFAOYSA-N 273.376 3.820 30 20 CHED C=CCC(C)(C)C(=O)N(CC)Cc1ccc(C)cc1 571619367 MIFUJRTWPLMOPX-UHFFFAOYSA-N 259.393 3.946 30 20 CHED CCCc1ccc(C(C)=NNc2ccc(C)nn2)cc1 729935994 AMGDGJWTHWRMDK-UHFFFAOYSA-N 268.364 3.574 30 20 CHED N#Cc1ccccc1OC(=O)OCC1CCCCC1 820753634 KXYPRPJYDOIPAK-UHFFFAOYSA-N 259.305 3.654 30 20 CHED C=Cn1cc(CNc2ccc(OC(C)(C)C)c(C#N)c2)cn1 824722403 RXWSEBXSWOZLPU-UHFFFAOYSA-N 296.374 3.645 30 20 CHED C#C[C@H](CC)NC(=O)N(c1ccccc1)c1ccccc1 491429082 RTPWMDSIKJFORY-OAHLLOKOSA-N 278.355 3.946 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)CCC 578985046 OFSQVBJBBJPJBV-HNNXBMFYSA-N 291.439 3.805 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)C#Cc1cccs1)C1CC1 825722605 YBOFIBMOSWAGOM-OLZOCXBDSA-N 275.417 3.525 30 20 CHED CCCCC[C@@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 728393891 YHLYCHCBWACYCW-LLVKDONJSA-N 277.343 3.788 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C)CC1 584319791 OVLOJUWUMPYFHP-OAHLLOKOSA-N 296.418 3.758 30 20 CHED CC(C)C#CC(=O)NCC(C)(C)c1ccc(F)cc1Cl 827613320 LJJAWHFUDPVFSL-UHFFFAOYSA-N 295.785 3.532 30 20 CHED CC[C@@H](NCCc1nc(C)cs1)c1cccc(C#N)c1 902741931 IJUCXARRXSPQSP-OAHLLOKOSA-N 285.416 3.607 30 20 CHED CC(C)CN(CCC#N)C(=S)N[C@@H](C)c1cccs1 726438570 ATEOILCMTGFBIZ-LBPRGKRZSA-N 295.477 3.555 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1c(O)cccc1Cl 820509871 JODMSQZMVWAEEX-CMDGGOBGSA-N 298.729 3.569 30 20 CHED C=CCCCC[C@H](C)Nc1ccc2c(c1)NC(=O)CO2 823684464 WZOKJURMLYFAAK-LBPRGKRZSA-N 274.364 3.564 30 20 CHED C#CCCCCC(=O)OCc1cc2cc(F)ccc2[nH]1 822330991 NHCYSGDRZNGAGK-UHFFFAOYSA-N 273.307 3.544 30 20 CHED Cc1ccc(C[C@H](C)/N=C\c2cccc(O)c2O)c(C)c1 731155393 FQRBFBRHXFUIMF-KVMVOAJRSA-N 283.371 3.765 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccc2c(c1)CCO2 730728957 BBXHRWINMSXZFY-XQRVVYSFSA-N 286.277 3.796 30 20 CHED CCCn1nc(C)c(C=NNc2ccc(F)c(F)c2)c1C 901318254 RXXHWSJBLQLOFP-UHFFFAOYSA-N 292.333 3.634 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@H](c2ccccc2)C2CC2)C1 839052921 HSOFBYOKMPTKKS-KBRIMQKVSA-N 283.371 3.806 30 20 CHED N#C[C@H](C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1ccc2ccccc2n1 835041032 IPSGWPASIPSZSI-QXSJWSMHSA-N 290.366 3.847 30 20 CHED C=CCC[C@@H](NCc1cnccc1C(F)(F)F)C1CC1 663471525 RIACSYBYJNWXRW-CQSZACIVSA-N 284.325 3.935 30 20 CHED C=CCC1(N[C@H](C)CCc2ccccc2)CCOCC1 668552905 VYMKXBBPJNDKEX-MRXNPFEDSA-N 273.420 3.723 30 20 CHED CC[C@H](C#N)Oc1cccc(CNC2CC3(CCC3)C2)c1 838958605 RICBVKBZRFXQHD-MRXNPFEDSA-N 284.403 3.790 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)/C=C(\C)C1CC1 839891985 SNELUSCKXLHSBG-VSOYFRJCSA-N 269.388 3.646 30 20 CHED C=CCCCOC(=O)c1ccc(-n2nc(C)cc2C)cc1 735523931 FMTROVJHMPWRTO-UHFFFAOYSA-N 284.359 3.612 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1cc(F)cc(F)c1 588618493 VYVXKAHSRXZLFO-WAYWQWQTSA-N 269.250 3.733 30 20 CHED Cc1cc(Cl)cc(C=NN[C@H](C)C(F)(F)F)c1 834998757 LPYTTWLUTXQBMD-MRVPVSSYSA-N 264.678 3.523 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(OC)cc1Cl 678881385 JMWUDZKVSHNCJH-NSHDSACASA-N 281.783 3.823 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1cc(C)nc(C#N)c1 588033007 BKVBFYVCJRLORT-NTEUORMPSA-N 277.371 3.801 30 20 CHED FC(F)(F)Cc1ncc(C=NOC2CCCC2)s1 901211099 WGCVHQOFMBPEAB-UHFFFAOYSA-N 278.299 3.541 30 20 CHED C=CCCCCCCCCN[C@@H]1CCn2ccnc21 834803716 XLBAKCOYZJDWNC-OAHLLOKOSA-N 261.413 3.834 30 20 CHED COCC(CC(C)C)=NNc1ccc(OC(F)F)cc1 730728044 HSBGEYGQZCVERZ-UHFFFAOYSA-N 286.322 3.748 30 20 CHED O=C(C#CC1CC1)NC1(c2c(Cl)cccc2Cl)CC1 837468294 LNCTUPMDXDILRT-UHFFFAOYSA-N 294.181 3.512 30 20 CHED C=CCc1cc(OCC)cc(CN(C(C)C)C2CC2)c1O 919938313 ADDWSQBLNFIOLP-UHFFFAOYSA-N 289.419 3.892 30 20 CHED N#Cc1ccccc1COC(=O)[C@@H]1CCCc2ccccc21 912699855 ZOFCIGYUDIIUEO-GOSISDBHSA-N 291.350 3.722 30 20 CHED CCc1cccc(CC)c1NC(=O)N1CCC[C@H](CC#N)C1 596636872 XRNZNWTVRDQDLP-CQSZACIVSA-N 299.418 3.969 30 20 CHED COc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1C1CC1 839059854 RUZNRNYXXQKODI-SWLSCSKDSA-N 299.370 3.812 30 20 CHED C=CCN(Cc1coc(-c2ccc(OC)cc2)n1)C(C)C 917069558 RXXDZMOXISFJER-UHFFFAOYSA-N 286.375 3.747 30 20 CHED CCOc1cccc(/C=N\CC(C2CC2)C2CC2)c1O 743044900 TXDUCBVRABGJJA-ZDLGFXPLSA-N 273.376 3.646 30 20 CHED Clc1ccccc1[C@H]1CCCC1=NNc1ccncn1 835001120 KALHSAYSSIQPGR-GFCCVEGCSA-N 286.766 3.866 30 20 CHED COCC#CCN[C@H](c1cccc(C(F)(F)F)c1)C(C)C 678762156 CCZFPAKDSHPBEW-HNNXBMFYSA-N 299.336 3.642 30 20 CHED CCN(C(=O)/C=C(\C)C1CC1)[C@H](C)c1ccc(C#N)cc1 917647022 RCEBZHSQORJOKK-YPDDLIOESA-N 282.387 3.824 30 20 CHED C=CCC[C@@H](NCCc1nc(C)cs1)c1ccco1 671740839 NGDKBNMGYOKFLF-CYBMUJFWSA-N 276.405 3.884 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1cc(C)n(C)n1)CS2 840720481 NNJABPFRPIGUMW-MDWZMJQESA-N 298.411 3.717 30 20 CHED C=C(Cl)COC(=O)C1(c2ccccc2F)CCCC1 916609582 ZGMSJDZBABLVQO-UHFFFAOYSA-N 282.742 3.933 30 20 CHED C[C@@H]1CC(=NNc2nc(O)c3ccccc3n2)C[C@@H](C)C1 747766250 QAHJUJBLGDKIRQ-QWRGUYRKSA-N 284.363 3.559 30 20 CHED C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc2ccccc12 598599285 IYWAIGVVCIFAPA-GDBMZVCRSA-N 296.414 3.791 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 742861830 HLYADOVYXVLSLS-HEHGZKQESA-N 272.344 3.593 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(C(C)(C)C)cc1 844480243 BMFRNBFEMDFMTD-LLVKDONJSA-N 262.353 3.612 30 20 CHED CC/C(=C/C(=O)N(CC)CCC#N)c1ccc(C)cc1 744348599 VESCNQVRELORGW-SQFISAMPSA-N 270.376 3.551 30 20 CHED C=CCCSCCNC(=O)[C@@H]1C[C@@H]1c1sccc1C 597968871 OEIAQJONBAGUHB-QWHCGFSZSA-N 295.473 3.586 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3ccc(Cl)cc32)C1 591659818 UYZYNKQYKZBEIQ-SGIREYDYSA-N 274.795 3.999 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C=C1CCCC1 841370220 LQRCGZDJIUDCCJ-QGZVFWFLSA-N 280.371 3.552 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)Cc1cc(Cl)cc(Cl)c1 599246039 YOCLCMPQDGDODM-CQSZACIVSA-N 299.201 3.590 30 20 CHED CN(CCC(C)(C)C)c1nc(C#N)c(Cl)s1 596287467 UQDAMFXMOVDXRY-UHFFFAOYSA-N 257.790 3.541 30 20 CHED C=CCN(C(=O)NCCCc1ccc(Cl)cc1)C(C)C 749420279 RQWLQJWWSHCAGN-UHFFFAOYSA-N 294.826 3.879 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O 845971564 LMUUXSMNKQGFDQ-XQQFMLRXSA-N 263.381 3.652 30 20 CHED Cc1cc(Cl)cc(CN2CCC[C@](C)(C#N)C2)c1 590362429 HGDUDIGFFNIAKL-OAHLLOKOSA-N 262.784 3.774 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2cccc(C)c2nc1Cl 846634760 HHMQLMFIPOWDQA-LLVKDONJSA-N 288.778 3.891 30 20 CHED COC(=O)c1ccc(C=NNc2cc(C)ccc2C)cc1 916346168 WYAPMCKEWBGCNH-UHFFFAOYSA-N 282.343 3.536 30 20 CHED C#Cc1cccc(NC(=S)N2C[C@H](C)CCC[C@H]2C)c1 741492552 ANQMATUEQCJSSM-ZIAGYGMSSA-N 286.444 3.875 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)CCCCCC#N 591103767 IFOYTDUDSUEDFY-KBPBESRZSA-N 264.413 3.791 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1coc2ccccc12 747735521 AAYDIORPFGGPEQ-UHFFFAOYSA-N 280.331 3.676 30 20 CHED C#C[C@@H](C)OC(=O)c1oc2c(C)ccc(C)c2c1C 744180455 MRCTXJZKFYOHMZ-LLVKDONJSA-N 256.301 3.537 30 20 CHED C=CCN(C(=S)Nc1ccc(Cl)cc1)[C@H](C)COC 849276505 FPWLHPMQPGIXJP-LLVKDONJSA-N 298.839 3.560 30 20 CHED C#CCN(CC#CC)C(=S)Nc1ccc(CCCC)cc1 741873051 NVKHONRNUIHGGD-UHFFFAOYSA-N 298.455 3.685 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCCN1CCCC[C@H]1C 924687131 NSRAGTMURBPIFC-HZPDHXFCSA-N 279.472 3.559 30 20 CHED Cc1c(NN=C[C@H]2CC[C@H](C)C2)cccc1C(=O)O 844622571 GHAJOCXNBNCLEW-JQWIXIFHSA-N 260.337 3.527 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1Br 929127171 ZIXIWKYNUDSXDY-JTQLQIEISA-N 282.181 3.990 30 20 CHED CC(C)(F)CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O 849172056 LIUIXCZPBDGNMS-CHHVJCJISA-N 288.706 3.511 30 20 CHED C[C@@H](CCc1ccccc1)/N=C\c1cccc(O)c1O 920942370 ANZFTUPPNXVGLI-CYUIRQCWSA-N 269.344 3.538 30 20 CHED CC(C)c1ncc(C=NNc2nncc3ccccc23)s1 758363247 WPOZJNYYDKHOTI-UHFFFAOYSA-N 297.387 3.656 30 20 CHED CCOc1cc(C=NNc2cccc(F)c2)ccc1OC 920384548 XCMJCFKWEGUVFP-UHFFFAOYSA-N 288.322 3.679 30 20 CHED CCCCCCCCNC(=O)c1ccc2c(c1)COC2 754855566 XRBNJUXFPUHGQV-UHFFFAOYSA-N 275.392 3.807 30 20 CHED CCn1nccc1C=NNc1ccc(Cl)c(Cl)c1 753697658 SKROTMLRSGCFHL-UHFFFAOYSA-N 283.162 3.656 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)c2ccc(C)s2)c1 920173257 BFRUBDQNIMYLCS-RCEBRVLHSA-N 275.373 3.951 30 20 CHED CC(C)CCC(=Nn1cnnc1)c1ccc(Cl)cc1 920360060 UKHIWOVSJKJBAQ-UHFFFAOYSA-N 276.771 3.620 30 20 CHED C=C(C)CCNc1ccc2c(cnn2C(F)F)c1 685199272 NJSLRUHZSIOJDY-UHFFFAOYSA-N 251.280 3.810 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)CC2(C)CC2)n1 759550658 UYNUGXZSCRUPMF-SNVBAGLBSA-N 262.378 3.633 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1ccc(C#N)s1 750714290 VDXYLBUPNFCKNF-SCVCMEIPSA-N 263.362 3.601 30 20 CHED COCCC(=NNc1cccc(Cl)c1F)C(C)C 756832118 BJUMNDUUHLHRJU-UHFFFAOYSA-N 272.751 3.940 30 20 CHED Cc1ccc(N(CCC#N)C(=O)/C=C2\CC[C@H](C)C2)cc1 753594549 DOOMVRQYYOSWIV-XERWBJCMSA-N 282.387 3.988 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H](C)C1CC1)c1ccccc1 681653890 IPVZBNKXUFRELP-CZUORRHYSA-N 257.377 3.509 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccco3)no2)cc1 683591856 WCDOODHXRIVIMJ-UHFFFAOYSA-N 268.272 3.561 30 20 CHED Cc1cccc(CC(=O)N(CCC#N)CC(C)C)c1Cl 754647722 CWNZASANFJANHA-UHFFFAOYSA-N 292.810 3.589 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)s1)c1ccc(F)cc1 750395375 NJLQJAUFUBMIHL-VIFPVBQESA-N 275.304 3.677 30 20 CHED CSC[C@H]1CCCN1CCCCC1(C#N)CCC1 929854031 LJKWHRIOBGDMAM-CQSZACIVSA-N 266.454 3.678 30 20 CHED COc1cccc2c1CCC2=NNc1ccccc1F 759648414 KFTLPMDICUEINU-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C/c1cccs1 851201904 CNILDUDFHDPNFT-XUIVZRPNSA-N 263.362 3.633 30 20 CHED C(=NNC1CCCC1)c1nc(-c2ccccc2)cs1 755690055 UXDMPYVOUSVUGQ-UHFFFAOYSA-N 271.389 3.676 30 20 CHED C=CC(C)(C)CCOC(=O)c1cccn1Cc1ccncc1 851299147 AYHLCKIKRIXRCS-UHFFFAOYSA-N 298.386 3.691 30 20 CHED C=CCN(C(=O)c1cnn(CC(C)C)c1C(F)F)C(C)C 759799184 GFFMTQZKUNVZDF-UHFFFAOYSA-N 299.365 3.513 30 20 CHED CC(=NNC1CCOCC1)c1cccc(-c2ccccc2)c1 757585600 NQRAUHWLWZCNFN-UHFFFAOYSA-N 294.398 3.846 30 20 CHED C[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1 750245845 MHMGAFGNYFUBQQ-GFCCVEGCSA-N 283.302 3.544 30 20 CHED CC(CC1CC1)=NNc1cc(C#N)ccc1Br 853395672 HGAPQTNGUSZGGA-UHFFFAOYSA-N 292.180 3.909 30 20 CHED CC[C@@H]1CCCC1=NNc1cnc2ccccc2n1 758375759 ZEDFXNZCENOQKZ-LLVKDONJSA-N 254.337 3.608 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc(Cl)cc1[N+](=O)[O-] 853291976 SIRASCPNNVUAAP-UHFFFAOYSA-N 294.742 3.976 30 20 CHED C=CCCNC(=O)N1CCC[C@H](c2ccccc2)CC1 852487332 PZDXTBVRHLOVJZ-INIZCTEOSA-N 272.392 3.542 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1ccc(F)c(F)c1 853782574 GOCQAQZVGHFVMF-MRVPVSSYSA-N 291.750 3.778 30 20 CHED Fc1ccc(NN=C/C=C\c2ccc(F)cc2F)nc1 758112866 VZKLGPQDPBTSES-YZHSZULSSA-N 277.249 3.610 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1ccccc1C#N)O2 755598516 IVMCWPYWJCMFTK-RQZCQDPDSA-N 275.307 3.791 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1CCC[C@H]1C 769478232 ZWOGSHCACOGHCU-OLZOCXBDSA-N 289.350 3.603 30 20 CHED COc1ccc(NN=C(C)CCC2CC2)c([N+](=O)[O-])c1 768784036 KXIZXCXLMBVJFT-UHFFFAOYSA-N 277.324 3.581 30 20 CHED CCCCC(COC)=NNc1c(C)cccc1F 769839668 FUYWYMCPEALTTR-UHFFFAOYSA-N 252.333 3.739 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1cc(C#N)ccc1OC 761492500 STSVTAVJAVEJKX-GFCCVEGCSA-N 289.375 3.682 30 20 CHED COc1ccc2oc(C=NOCc3ccccc3)cc2c1 763354243 OEKVKCVAHZVXOS-UHFFFAOYSA-N 281.311 3.992 30 20 CHED CCCCCCCNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 862357825 IPARNPKASMDLAX-JKSUJKDBSA-N 283.456 3.914 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(NC(=O)OC)c1C 935790007 ONMKSLXJZFGQOS-GFCCVEGCSA-N 290.363 3.714 30 20 CHED CCOc1cccc(/C=C/C(=O)O[C@H](C)C(C)(C)C#N)c1 860623578 NDYZJQPEQMVEKS-WTNCMQEWSA-N 287.359 3.580 30 20 CHED CC(CCn1cccn1)=NNc1c(F)cccc1Cl 769826994 MCKNKQUQUNWKIU-UHFFFAOYSA-N 280.734 3.554 30 20 CHED CCCCCCCc1nc(-c2ccc(F)cn2)no1 763346231 DNHWTUOMUSRFHJ-UHFFFAOYSA-N 263.316 3.784 30 20 CHED c1ccc([C@H]2CCC2=NNc2cnc3ccccc3n2)cc1 769782641 TZBMGBGDORWKBU-CQSZACIVSA-N 288.354 3.975 30 20 CHED C=CC[C@@H](NC(=O)c1cccc(C(C)C)n1)c1ccncc1 762222659 VKZJURTZDBOMRM-MRXNPFEDSA-N 295.386 3.647 30 20 CHED CCOCCON=C(C)c1ccc(F)cc1C(F)(F)F 863107760 CJKUYOQXWCISBS-UHFFFAOYSA-N 293.260 3.622 30 20 CHED C=CC[C@H]1N(C[C@H]2CC3(CCC3)C(=O)O2)CCCC1(C)C 769954888 XXJOWRAVHLXWBJ-HUUCEWRRSA-N 291.435 3.539 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(Cl)nc1 775376884 DLFCVTWYSGVXCW-MRXNPFEDSA-N 297.789 3.774 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1ccccc1CC 775451446 ZVGHCMSMUVCEMV-UHFFFAOYSA-N 294.354 3.905 30 20 CHED N#Cc1ccc(/C=C/C(=O)C2CCCCC2)c(F)c1 772797957 RNTIWYPTCRNBJA-CMDGGOBGSA-N 257.308 3.860 30 20 CHED CN(C(=O)c1csc(C#N)c1)C1CCCCCCC1 1117742968 GBRQAXYOPIEGHN-UHFFFAOYSA-N 276.405 3.805 30 20 CHED Cc1cc(/C=C\C(=O)c2sccc2O)ccc1F 773142993 KVPUQONVCCYIHJ-HYXAFXHYSA-N 262.305 3.797 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)OCc2cccc(C#N)c2)cc1 778882477 HYZJRDXAWDHKNS-OAHLLOKOSA-N 293.366 3.789 30 20 CHED CCCCCCCNC(=O)N(C)Cc1cccc(O)c1 875765093 FDFATBJCERCDOP-UHFFFAOYSA-N 278.396 3.504 30 20 CHED N#Cc1ccc(CN2CCCc3ccccc32)c(F)c1 14901456 KGNJNEUFSFCNPY-UHFFFAOYSA-N 266.319 3.650 30 20 CHED Cc1ccc(CN[C@H](CCC#N)c2ccccc2)c(O)c1 877116659 SQBHLQLKKWSNQJ-QGZVFWFLSA-N 280.371 3.835 30 20 CHED Cc1cc(C)c(C(=O)N(C)c2ccc(C#N)cc2)s1 1360939648 XQNXJZDKGHXQHK-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CC(C)(C#N)OC(=O)/C=C\c1ccccc1C(F)(F)F 870241354 QZUAUPJHDYAZKM-FPLPWBNLSA-N 283.249 3.564 30 20 CHED CC[C@H](N[C@@H](C)CCSC)c1ccc(C#N)cc1 774204257 YDLJOACNQLDVCD-WFASDCNBSA-N 262.422 3.741 30 20 CHED CC(C)CNN=Cc1cc(C(F)(F)F)ccc1Cl 771566023 CPKCGOYXLIJWKG-UHFFFAOYSA-N 278.705 3.938 30 20 CHED CCCCCCCCC(=O)NCCc1csc(C)n1 887638596 BLOUNJKUARRONL-UHFFFAOYSA-N 282.453 3.861 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc2occc2s1 775950201 JHBGPZHIYRXMJR-UHFFFAOYSA-N 297.335 3.759 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)c(OC)c2)cc1 773126577 UWTPWRANMOGWQO-WDZFZDKYSA-N 282.339 3.908 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 1129252353 VRPSRWPFDADGJW-JLJPHGGASA-N 294.398 3.664 30 20 CHED CCCCCCCN[C@@H](C)[C@H]1CCCN(C(=O)OCC)C1 776823325 NXAKNEQVVNJYKI-HOTGVXAUSA-N 298.471 3.803 30 20 CHED C=C(C)Cn1c(N2CCC[C@H]2CCC)nnc1C(C)(F)F 1122474355 BUVIXZIJKAHHTH-GFCCVEGCSA-N 298.381 3.735 30 20 CHED CCC(C)(C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 780156493 FHGNENZKGZWSEE-LBPRGKRZSA-N 274.364 3.742 30 20 CHED C=CCCN(OCc1ccccc1)c1ncc(Cl)cn1 782450611 YXEHXSDBSZDLFB-UHFFFAOYSA-N 289.766 3.644 30 20 CHED CC1(C)C(=NOC[C@H]2CCOC2)C[C@H]1c1ccccc1 788030069 KFWLUAIAQRQSNF-ZFWWWQNUSA-N 273.376 3.609 30 20 CHED Cc1cc(F)cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1N 783283547 FXFZRVJPHHSKCT-LLVKDONJSA-N 298.317 3.506 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc(-c2cc[nH]n2)c1 891434753 YJULFOCXRABIQQ-LBPRGKRZSA-N 268.364 3.817 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2nc(C)c[nH]2)cc1 898384066 MPRSRPGOVRTYIC-UHFFFAOYSA-N 283.375 3.926 30 20 CHED C#CCC1(C(=O)Nc2ccc3nc(C)[nH]c3c2)CCCCC1 788491478 KIJKQJMUUFIAEO-UHFFFAOYSA-N 295.386 3.784 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)s1 785854152 NBJFCNIJDMWIRT-DJYGCBNOSA-N 281.808 3.982 30 20 CHED CCC1(C=NNc2cc(C)ccc2F)CCOCC1 781125850 VCUWRPKJRIWWLK-UHFFFAOYSA-N 264.344 3.739 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1sccc1C#N 890611364 VLVBNSBAXJOEDL-CQSZACIVSA-N 282.368 3.727 30 20 CHED C#CCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782524427 RFCCYJREOQSHRF-OAHLLOKOSA-N 274.367 3.899 30 20 CHED CC(C)CC(=NNc1ncncc1Cl)c1ccccc1 780280524 QTMUMWNDKFWKOY-UHFFFAOYSA-N 288.782 3.992 30 20 CHED CC[C@@H]1c2ccccc2CN1c1snc(C)c1C#N 897354388 MEXJYHNAEPMZRD-CQSZACIVSA-N 269.373 3.795 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1ccc2ccccc2c1 795725629 RRUBBSOGVLJNQS-ZDUSSCGKSA-N 270.328 3.726 30 20 CHED C=CCCCCCNc1cccc(OC(=O)NC)c1 793909418 RRXCKBSZDAMQGA-UHFFFAOYSA-N 262.353 3.563 30 20 CHED CC(=NNc1cccc(Cl)n1)c1nc(C)sc1C 793162136 QWRADCIJPMTJRV-UHFFFAOYSA-N 280.784 3.644 30 20 CHED COC(=O)c1csc(C(=O)/C=C\c2cccc(F)c2)c1 794724424 FYSOZYRHJWRBLJ-WAYWQWQTSA-N 290.315 3.570 30 20 CHED C=C(Br)CNc1c(Cl)cccc1[N+](=O)[O-] 168338227 FLDSRFYODOWXGS-UHFFFAOYSA-N 291.532 3.569 30 20 CHED N#Cc1ccc(NC2CC(F)(F)C2)c(Br)c1 277248863 VMCWYLYDKWAPCF-UHFFFAOYSA-N 287.107 3.530 30 20 CHED CC[C@H](C)NN=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 790191162 UAUVHFIWWQEQHT-NEPJUHHUSA-N 277.368 3.537 30 20 CHED Cc1ccc(C=NNc2ncnc(Cl)c2C(C)C)o1 797404397 NJPYNTSXKOHZNC-UHFFFAOYSA-N 278.743 3.601 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccccc1C#N 799498099 FGPZQHXDSNPBML-CMDGGOBGSA-N 277.323 3.771 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(S)ccc1F 798724762 VUAVGMXNQNSEKG-UHFFFAOYSA-N 281.352 3.601 30 20 CHED Cc1nc2cc(N[C@H]3CC[C@H](C#N)C3)ccc2s1 799723348 GBIDMAULYLKYJZ-QWRGUYRKSA-N 257.362 3.709 30 20 CHED C=CCN(C(=O)c1cc(C2CC2)cnc1Cl)C(C)C 793419844 ZFSBMCJRWLUWOJ-UHFFFAOYSA-N 278.783 3.649 30 20 CHED C[C@@H](NN=Cc1ccc2ccccc2n1)C(C)(C)C 793110762 BONPNYITNBVFLH-GFCCVEGCSA-N 255.365 3.593 30 20 CHED C#CCN(C(=O)c1c(C)oc(C)c1C)C1CCCCC1 688821616 HJHURQZLFJEZLW-UHFFFAOYSA-N 273.376 3.613 30 20 CHED CC(C)CN(CCC#N)C[C@@H]1C[C@H]1c1ccccc1 768154471 UESJXODYIBMESP-IRXDYDNUSA-N 256.393 3.662 30 20 CHED Cc1cc(C)cc(NC(=O)Nc2ccc(OCC#N)cc2)c1 1318801143 LIWYVQYKOIJJEL-UHFFFAOYSA-N 295.342 3.850 30 20 CHED CCc1cc(N[C@H](C)c2cccc(C#N)c2)nc(CC)n1 1164119730 GGHFIKXLVHHEAR-GFCCVEGCSA-N 280.375 3.646 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(N)c(Cl)c2)c1 1319546653 ITFKNGQVUQNTBR-UHFFFAOYSA-N 293.729 3.516 30 20 CHED C[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(OCC#N)cc1 1319974809 VAUOPUMFUOFPKB-ACJLOTCBSA-N 278.355 3.934 30 20 CHED CCC1(CNc2ncc(C#N)cc2Cl)CCCC1 1612135567 JXPIZAGGIQFXRN-UHFFFAOYSA-N 263.772 3.989 30 20 CHED C=C(CNCc1ccc(C)cc1OC)c1ccccc1 1177687561 BVRAJMINBQKKBA-UHFFFAOYSA-N 267.372 3.807 30 20 CHED Cc1cccnc1CSCc1cc(C#N)ccc1F 1320669907 LRIIOXAWGVIYJG-UHFFFAOYSA-N 272.348 3.834 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 1621149975 ZRLQUJZVDFVUDR-HNNXBMFYSA-N 256.393 3.879 30 20 CHED C[C@H]1CCC[C@H](c2nnc(COc3ccccc3C#N)o2)C1 1322139795 YQRBRAYTDWVYAI-STQMWFEESA-N 297.358 3.814 30 20 CHED C=C[C@H](Cc1nnc(Cc2cccnc2)o1)c1ccccc1 1326306683 SKWNAXOZKLBFAR-OAHLLOKOSA-N 291.354 3.568 30 20 CHED CCC1CCC(CNc2cccc(CC#N)n2)CC1 1320491251 UNJQPPZYMVGLCC-UHFFFAOYSA-N 257.381 3.776 30 20 CHED CC(=NNCc1ccc(F)cc1)c1csc(C(C)C)n1 1338094482 PLDXCPHRUZPJAO-UHFFFAOYSA-N 291.395 3.919 30 20 CHED CCCC(=CC(=O)[C@@H](C#N)c1ncc(Cl)n1C)CCC 1344864557 SRMFNAOWJURERF-GFCCVEGCSA-N 293.798 3.776 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cccc2c1CCCC2 1265738129 MZGWOZHYJBKWIN-UHFFFAOYSA-N 294.329 3.828 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)CCc1ccc(F)cc1 1349906905 NAZLAQPOCYQZNJ-XJKSGUPXSA-N 290.382 3.545 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H]1CCCc2cccnc21 1344325845 OQZQBMKZRIVODA-CYBMUJFWSA-N 259.349 3.605 30 20 CHED C=C[C@@H](COC)N[C@H](CC)c1cc(Cl)ccc1OC 1342732990 NSVCZFMAZFRYPS-GXTWGEPZSA-N 283.799 3.590 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)[C@H](C#N)CCc1ccccc1 1443022942 ZZOYXDCOBPPCGO-ROUUACIJSA-N 298.430 3.796 30 20 CHED N#Cc1ccc(SCCc2ccccn2)c(Cl)c1 1458993621 DXAAHLOVYVHVHA-UHFFFAOYSA-N 274.776 3.941 30 20 CHED C[C@H](NC(=O)c1ccccc1CC#N)c1ccccc1Cl 1298484337 UIDKPOYIMQWPIR-LBPRGKRZSA-N 298.773 3.897 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc(C3CC3)c2)c1 1528387727 WWEYXGUHPPFTLZ-UHFFFAOYSA-N 276.339 3.996 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1cc(Cl)ccc1C 1521181027 SVNHRHZKPUUVCK-CQSZACIVSA-N 280.799 3.802 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)O 1602842305 MYTBQRAGZBZVCO-QPUJVOFHSA-N 288.174 3.673 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(F)c1 1460673893 NMTYFGCHEDGJFF-SMDDNHRTSA-N 274.339 3.852 30 20 CHED CC(F)(F)c1ccccc1NC(=O)c1csc(C#N)c1 1543677422 QVSQSVAQMVZYIP-UHFFFAOYSA-N 292.310 3.984 30 20 CHED Cc1cc2c(NC(=O)[C@H]3CCCC3(C)C)n[nH]c2cc1C#N 1628458264 JGARWPUHMIOZCO-CYBMUJFWSA-N 296.374 3.508 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC2(C3CC3)CCC2)c1 1562939253 BTJICJMHZQGHCM-UHFFFAOYSA-N 283.375 3.569 30 20 CHED CCN(C(=O)c1cccc(Nc2ccccc2)c1)[C@H](C)C#N 1641256550 FCKVQNUKGWUCTR-CQSZACIVSA-N 293.370 3.804 30 20 CHED CCN(CCOc1ccccc1C#N)[C@@H]1CCCC[C@@H]1C 1653296516 PTPZIIVOARMRSB-DOTOQJQBSA-N 286.419 3.838 30 20 CHED C#Cc1ccc(N[C@@H]2CC[C@H](CC(=O)O)[C@@H]2C)c(Cl)c1 1588517902 JABDVCWCAJQHGR-ZKYQVNSYSA-N 291.778 3.623 30 20 CHED Cc1cc(N2CCC[C@H]2CCc2ccccc2)ncc1C#N 1654997781 DKPOVGJRJZECGI-SFHVURJKSA-N 291.398 3.863 30 20 CHED N#Cc1c(F)cccc1CNc1c[nH]nc1-c1ccccc1 1659365679 PFIYGZDYUIYMBH-UHFFFAOYSA-N 292.317 3.700 30 20 CHED N#Cc1sc(Sc2ccc3c(c2)CCO3)nc1Cl 1651926006 VNIFXMQHYABZRX-UHFFFAOYSA-N 294.788 3.754 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)N1CCC[C@@H](C#N)C1 1678767143 MVGZFPVZFHVUCH-ZBFHGGJFSA-N 291.439 3.681 30 20 CHED C=C(CNC(=O)NC1(C)CCC(C)CC1)c1ccccc1 1686696855 OQTTZOITEGHTCW-UHFFFAOYSA-N 286.419 3.968 30 20 CHED Cc1c(NN=C2CCC3(CCC3)C2)cccc1C(=O)O 1776089787 HEQRLKFRGGBCQV-UHFFFAOYSA-N 272.348 3.815 30 20 CHED C=CCC[C@@H](Nc1cc(C(=O)O)ccn1)c1ccccc1 1776167913 YXOFGGHEICFOHO-OAHLLOKOSA-N 282.343 3.899 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1cccc(C(=O)O)c1F)C2 1777455750 UYHPBIDGRSYEFS-LCYFTJDESA-N 296.297 3.655 30 20 CHED CC(C)c1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1 15122372 PVBYVPJHSDOUHU-UHFFFAOYSA-N 293.370 3.732 30 20 CHED C=C(C)CSCCC(=O)Nc1ccccc1OCC 161905024 BOIPEZXNHZLIHD-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C 158177224 AKBGMWGUXGPNQT-KBPBESRZSA-N 299.418 3.998 30 20 CHED C[C@@H](CCC(=O)[C@H](C#N)c1ccccn1)c1ccccc1 160142510 ICPHXKFKDWIFPA-GOEBONIOSA-N 278.355 3.842 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1sccc1C 163819981 AJCAXASFAAXGEM-ZIAGYGMSSA-N 296.395 3.979 30 20 CHED C=CCC[C@@H](NC(=O)C[C@@H](C)SC)c1ccccc1 152557777 IKIZFLHJFBPJLN-UKRRQHHQSA-N 277.433 3.952 30 20 CHED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1CCC(C)(C)C#N 157985658 BXKKIEIKPDGCEA-VYDXJSESSA-N 286.419 3.777 30 20 CHED C=CC1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 154798566 GIUOMMXTMFTJSC-UHFFFAOYSA-N 285.721 3.656 30 20 CHED N#CCCN(Cc1ccco1)Cc1cc(F)c(F)cc1F 159622706 HUVADTWAJIQPSE-UHFFFAOYSA-N 294.276 3.613 30 20 CHED COCCCCCSCc1ccc(C#N)cc1OC 159566114 TXPQIXOOJLIWKE-UHFFFAOYSA-N 279.405 3.617 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccc([N+](=O)[O-])cc1 209923698 UWCUFYNPEFKBGK-TWGQIWQCSA-N 289.237 3.769 30 20 CHED C[C@@H](NCc1c(F)cccc1F)c1ccc(C#N)cc1 35256342 YXTTXXUMIDUMFG-LLVKDONJSA-N 272.298 3.687 30 20 CHED Cc1ccccc1CN(C)Cc1ccc(F)c(C#N)c1 160521209 CHYTYCKOCZVEIH-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CN(C)c1c(Cl)cccc1NCc1ccc(C#N)cc1 37127155 VEDBMDILJGDEIS-UHFFFAOYSA-N 285.778 3.890 30 20 CHED CC(C)(C#N)CN[C@@H]1CCCC[C@H]1c1ccccc1 168931322 NENMSPDKJXZCTA-JKSUJKDBSA-N 256.393 3.852 30 20 CHED CCc1nc(C#N)cc(Nc2cccc3ccsc23)n1 308173122 WLKLZZSKTVUTFF-UHFFFAOYSA-N 280.356 3.869 30 20 CHED Cc1nc(C#N)cc(NCC2(CC(C)C)CCCC2)n1 308254188 HXUMFZVIGUXKBA-UHFFFAOYSA-N 272.396 3.675 30 20 CHED CCN(CC)CCC[C@@H](C)Nc1cccc(F)c1C#N 72710101 SLAINDKIOFBQPZ-CYBMUJFWSA-N 277.387 3.620 30 20 CHED C=CCC[C@H](CC)NCc1ccc(Br)o1 308962178 SGLVFFKUEHPKSN-JTQLQIEISA-N 272.186 3.877 30 20 CHED N#Cc1cc(Cl)cc(OCC(=O)c2ccc(F)cc2)c1 313036094 ZPNLDWBKZMTGMD-UHFFFAOYSA-N 289.693 3.612 30 20 CHED C[C@H]1CCC[C@H](C)C1NCCc1cccc(C#N)c1 467432136 ISQSCNCMBMUCJU-KBPBESRZSA-N 256.393 3.515 30 20 CHED Cc1ncsc1COc1ccc(C#N)c(Cl)c1 351688293 FJXFVQYKRRQSAY-UHFFFAOYSA-N 264.737 3.556 30 20 CHED C#CCCCCNC(=O)c1ccc(CCCC)cc1 700626396 HNLUNCPVYZFNAR-UHFFFAOYSA-N 257.377 3.563 30 20 CHED C=CC[C@H](CC)NCc1ccc([N+](=O)[O-])cc1Cl 393849715 JOCYGILTWRIIRD-NSHDSACASA-N 268.744 3.693 30 20 CHED CCON=C([C@H](C)OCc1ccccc1)C(F)(F)F 811637481 ZDKYQLXQPAERSN-JTQLQIEISA-N 275.270 3.547 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NOCc1ccccc1 814791099 BCEGIUBEUIIPET-AWEZNQCLSA-N 256.349 3.909 30 20 CHED C=CCCC(=O)Nc1ccc(OC(F)F)c2ncccc12 102237644 CWBAPJRUGBVIFK-UHFFFAOYSA-N 292.285 3.741 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCc2c(O)cccc21 102824958 GHIGKNZBNMFILL-OAHLLOKOSA-N 275.392 3.856 30 20 CHED N#C[C@@H](NC(=O)CC1CCCC1)c1ccc(Cl)cc1 106421358 HSMVFIOIKUTDAK-CQSZACIVSA-N 276.767 3.601 30 20 CHED C[C@H](OC(=O)c1ccncc1Cl)c1ccc(C#N)cc1 175804958 XVFFSRBSZSWVJQ-JTQLQIEISA-N 286.718 3.525 30 20 CHED N#CC1(C(=O)Nc2ccc3ccccc3n2)CCCCC1 57383986 GDWVWXBUFXZIHA-UHFFFAOYSA-N 279.343 3.647 30 20 CHED N#Cc1ccc(CN2CCSC[C@H]2c2ccccc2)cc1 115559717 QNRQIARDHZDRFO-SFHVURJKSA-N 294.423 3.848 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2occc2C)c1C 119017542 FXJGSODWFGFYIF-VOTSOKGWSA-N 272.348 3.707 30 20 CHED C=CCCCC(=O)Nc1cccc(-c2nc(C)co2)c1 177227024 LCEAMKDKAUDTOI-UHFFFAOYSA-N 270.332 3.945 30 20 CHED C=CCn1c(C)cc(C(=O)CSc2ccncc2)c1C 119237029 LJWFEOUZUSZYPY-UHFFFAOYSA-N 286.400 3.661 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[C@H](C)C1 178546360 IXDRTCOPVLNFAS-SMDDNHRTSA-N 271.364 3.567 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(SC(F)F)cc1 64557825 SFWKYHZOBWQJLZ-JTQLQIEISA-N 270.348 3.593 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)c1 175963492 WKORBPCMYCQLEH-ZDUSSCGKSA-N 288.391 3.904 30 20 CHED N#CC1(NC(=O)c2ccc(C3CCCCC3)cc2)CC1 115153466 XGFHBCOMDOXAMQ-UHFFFAOYSA-N 268.360 3.520 30 20 CHED C=CCN(Cc1cnn(C(C)(C)C)c1)Cc1cccs1 119948421 XWGIQPNCMQLCSU-UHFFFAOYSA-N 289.448 3.888 30 20 CHED Cc1nc(C)c(CNc2c(Cl)cccc2C#N)s1 302623408 DZLKOEHBWBWNCA-UHFFFAOYSA-N 277.780 3.897 30 20 CHED C=CCOc1ccccc1CNC(=O)N(CCC)CCC 111514902 NNLSTNPBQCJLKR-UHFFFAOYSA-N 290.407 3.583 30 20 CHED CCc1ccc(NC(=O)Nc2ccc(CC#N)cc2)cc1 113533621 RIGJTGZOVIBORU-UHFFFAOYSA-N 279.343 3.959 30 20 CHED C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)C1CCCCC1 174716783 IVYXCFMBYCDCTH-CYBMUJFWSA-N 285.391 3.843 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 119988470 ACLMNUKZZIJBFE-MRXNPFEDSA-N 298.430 3.658 30 20 CHED Cc1ccc(C(C)(C)CNc2ccc(C#N)cn2)cc1 301216829 YXHLZXTVFGDBTA-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CCC[C@H]1CCCN1C(=O)N[C@H]1CCc2cc(C#N)ccc21 1348772779 SRNKJQQUFDUVKV-RDJZCZTQSA-N 297.402 3.520 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccc(F)cc1 60528957 QMTCCHARSYQMSQ-RMKNXTFCSA-N 272.323 3.742 30 20 CHED C=C(Br)CNC(=O)[C@@H](C)CC1CCCCC1 114320625 FXEBCWLNYZZXTP-JTQLQIEISA-N 288.229 3.618 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1nc(C(F)(F)F)cs1 1348453314 BGYZZMWKQJFOIB-SFYZADRCSA-N 277.315 3.505 30 20 CHED C[C@@H](CC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 177570282 UUUSWPVBVHVHSF-LBPRGKRZSA-N 282.318 3.830 30 20 CHED N#Cc1ccc(CC(=O)NCCCCC2CCCC2)cc1 173769973 VIQURCBNEKJKAK-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CC(=O)[C@H](C)SCc1ccccc1C(C)(C)C#N 121733665 ADIBVANYJIUGMJ-LBPRGKRZSA-N 261.390 3.698 30 20 CHED CCCc1cc(C(=O)N[C@](C)(C#N)C(C)C)sc1C 120727193 XRSOEMQRNXCOIH-OAHLLOKOSA-N 278.421 3.677 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cnc(C(C)C)s2)n1 122197518 WMZJSSMYDFERHO-SECBINFHSA-N 291.401 3.522 30 20 CHED CC1(C)C[C@H](NC(=O)C2(C#N)CCCC2)c2ccccc21 127269457 CEASEIXCNVWVTR-HNNXBMFYSA-N 282.387 3.609 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1C[C@@]1(C)CC 123078135 AXKRVDAAHGOOHI-SJLPKXTDSA-N 287.403 3.646 30 20 CHED N#Cc1cccc(C#N)c1Oc1c(F)c(F)cc(F)c1F 302845764 NXLJZHQYSKIFNG-UHFFFAOYSA-N 292.191 3.779 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(OC(C)=O)cc1 125598880 HVRNKWGVXBFUIQ-UHFFFAOYSA-N 295.382 3.800 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)c1cccs1 121526635 OVGRFPLWYLOORU-MNOVXSKESA-N 295.367 3.604 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OCC)c(OC)c1 189879046 CRLOFHXGHCFEAD-MRXNPFEDSA-N 277.364 3.635 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(OC)c(Cl)c1 188528314 DYAUOPQZPMKSJS-HNNXBMFYSA-N 281.783 3.567 30 20 CHED CCC(CC)(CCO)CNc1cc(Cl)ccc1C#N 301415331 DYVVKAFLGWKEPY-UHFFFAOYSA-N 280.799 3.812 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2ccc(C)cc2C)o1 127634424 WOGRFBRJKWUHHZ-LLVKDONJSA-N 273.361 3.748 30 20 CHED N#Cc1cccc(OCCCSc2ccccc2O)c1 129962658 GQMBNRJLDWADDW-UHFFFAOYSA-N 285.368 3.825 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 185471539 UJFOBNAHBBXUNN-HNNXBMFYSA-N 294.345 3.800 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N(CCC#N)CC1CC1 180380230 QPMQUJHOLWPMTL-MRXNPFEDSA-N 298.430 3.798 30 20 CHED C=C(C)CN(C)CCCC(=O)Nc1c(C)cccc1C 181306310 JKMXZXCZQWHONY-UHFFFAOYSA-N 274.408 3.530 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cccc(F)c1F 414170659 SYPUQABPRIZWEI-SNVBAGLBSA-N 252.308 3.555 30 20 CHED CCCCSc1nnc(S[C@H](C#N)CC)s1 127290860 UVASWOZYNZNKKN-QMMMGPOBSA-N 273.452 3.825 30 20 CHED N#Cc1ccsc1NC(=O)c1cccc(F)c1Cl 336318061 SHACIPPNBYJTRL-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1nccn1CCCCNc1c(Cl)cccc1C#N 78336217 WCTJMECUUNXFLJ-UHFFFAOYSA-N 288.782 3.609 30 20 CHED C[C@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 123385840 XMMVUTWQSOKIOD-AWEZNQCLSA-N 272.392 3.578 30 20 CHED C=C[C@H](CC(=O)N1[C@H](C)CC[C@H]1C)c1ccccc1 127297729 DQWUGINXQJQSIP-RBSFLKMASA-N 257.377 3.746 30 20 CHED Cc1cccc(C)c1COc1cccc(F)c1C#N 215803047 ONJNZQUYFZEJAN-UHFFFAOYSA-N 255.292 3.893 30 20 CHED Cc1cc(CNc2cccc(C#Cc3ccccc3)c2)no1 124466401 PFTBDKCBHMIOFI-UHFFFAOYSA-N 288.350 3.995 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cccc(O)c1Cl 507189663 WEGZDYFBKROMPQ-UHFFFAOYSA-N 286.762 3.549 30 20 CHED CCCN(C)C[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 411310938 VYNOJDNODLCPPH-KRWDZBQOSA-N 291.483 3.514 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(C)s1 188212209 RDCJGWSBMKPABU-AWEZNQCLSA-N 251.395 3.617 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCCC[C@H]1OC(F)F 503935142 BFFKDGNZECUNEH-UMSGYPCISA-N 261.356 3.727 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2)c(F)cc1[N+](=O)[O-] 314116101 ISJDRNQLSOHFRJ-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1C[C@@]1(C)C(C)C 186856607 KIYPTVNVAHWBBZ-HIFRSBDPSA-N 264.413 3.647 30 20 CHED C#CCCCCN[C@H](C)c1ccc(OCC)c(OCC)c1 181305000 OZESPFDIOYFWMH-OAHLLOKOSA-N 289.419 3.938 30 20 CHED C=CCOc1ccccc1CN[C@@H]1COCc2ccccc21 418100182 OZFXNXNNXWWQGS-GOSISDBHSA-N 295.382 3.613 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 182953521 IHXAEVRAIWFOSF-LSDHHAIUSA-N 286.419 3.977 30 20 CHED CC[C@H](C)[C@@H](NCCC#N)c1ccc(Cl)cc1 411476610 UXXSAVLIWCHGKA-SMDDNHRTSA-N 250.773 3.930 30 20 CHED C=CCOc1ccc(CN2CCC=C(F)C2)cc1Cl 508688212 CEPMHKRKIGQCOM-UHFFFAOYSA-N 281.758 3.964 30 20 CHED C=CCCC[C@H](C)NCc1ccc(N(C)CCC#N)cc1 182683570 XMQLIJRGBCCNOW-INIZCTEOSA-N 285.435 3.871 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)c1ccc(Br)cc1 180477642 VUYQSCXGFWZBIT-LLVKDONJSA-N 296.208 3.587 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 44958830 OHQNCGHLAKDSSD-RYUDHWBXSA-N 277.330 3.780 30 20 CHED N#C[C@@H](C(=O)c1ccc(F)c2ccccc12)c1ccccn1 319171945 JBKSGTZSLZQZJX-OAHLLOKOSA-N 290.297 3.864 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C)c1ccccc1 416061119 CWNOGCNHFOPPLL-XUWVNRHRSA-N 271.404 3.849 30 20 CHED C=CC[C@H](C)NC(=O)CCOc1ccccc1C(C)C 505817723 KGTBHBWQDUIFIN-AWEZNQCLSA-N 275.392 3.660 30 20 CHED C=C[C@@H](C)N[C@@H](CC)c1cc(Br)ccc1O 139192163 VGGUKQKLGRRYIB-SKDRFNHKSA-N 284.197 3.770 30 20 CHED Cc1cc(F)c(F)cc1OCCOc1ccc(C#N)cc1 314403409 WTFQHZDEQJFJSC-UHFFFAOYSA-N 289.281 3.603 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)NCc1cccc(C#N)c1 137232637 QOCCAVOWQXDKRP-QGZVFWFLSA-N 299.418 3.668 30 20 CHED C[C@@H](CCc1ccccc1)N[C@H]1CCC[C@H](C#N)C1 185758871 MZUAEFBXAISNIS-XIRDDKMYSA-N 256.393 3.680 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)CC(F)F 411353847 NOQPOZGOHFHHMU-GFCCVEGCSA-N 294.345 3.588 30 20 CHED C=C(C)[C@H]1OCC[C@H]1/C(O)=N/[C@H](C)c1ccncc1CC 329969713 WRVKYANLUPDFFN-DAXOMENPSA-N 288.391 3.643 30 20 CHED C=C(Br)CN[C@@H](C)CCc1cccc(C)c1 133316667 KNJVICPATURIDM-ZDUSSCGKSA-N 282.225 3.814 30 20 CHED Cc1nn(-c2ccccc2)cc1N=C(O)C1CCC(=O)CC1 329689898 BIPACUGMNFVTDH-UHFFFAOYSA-N 297.358 3.528 30 20 CHED CC(C)CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 47649297 PRDFYMLCRIVTEQ-KGLIPLIRSA-N 287.407 3.743 30 20 CHED C=CCC[C@H](N[C@H](C)CCCCN)c1ccccc1 422991476 BEZSNMKCQDXVKY-WBVHZDCISA-N 260.425 3.801 30 20 CHED CC(C)C[C@H](C)OCCC(=O)Nc1ccc(CC#N)cc1 87004637 OJTZSLUPJVXCBW-AWEZNQCLSA-N 288.391 3.532 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](OC(C)C)c1ccccc1 512097670 FRJAISWSTCGAGI-HZPDHXFCSA-N 275.392 3.624 30 20 CHED C=CCCCCCN(C)CCOc1ccccc1C#N 523555383 FELMHIARGLPANZ-UHFFFAOYSA-N 272.392 3.615 30 20 CHED C=CCC1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCN2)CCCC1 423154599 JSYPYWJKGQTDSW-BRWVUGGUSA-N 276.468 3.633 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2sccc2O)c1C 193149817 WESBLCYIKRNLRF-AATRIKPKSA-N 290.388 3.573 30 20 CHED N#CCCCCN[C@H](CC(F)F)c1ccccc1 420998624 UCJDHPCVZSPBIG-CYBMUJFWSA-N 252.308 3.666 30 20 CHED N#Cc1ccc(C[S@](=O)C/C=C/c2ccccc2)cc1 192479837 PFLVRQLQNRVMIU-WWPOYFSUSA-N 281.380 3.520 30 20 CHED C=CC[C@H](C(=O)N1CCSCC[C@@H]1C)c1ccccc1 192354873 PQPGHSJNTOVTFN-HOCLYGCPSA-N 289.444 3.700 30 20 CHED CC(C)[C@@H]1C[C@@H](OC(=O)CSCC#N)c2ccccc21 193786736 SVKVHJOQZFDIIS-LSDHHAIUSA-N 289.400 3.671 30 20 CHED CCCCN=c1c(C#N)c[nH]c2c(F)ccc(Cl)c12 514066281 NWDRIYTXVOOPPZ-UHFFFAOYSA-N 277.730 3.533 30 20 CHED CCCCOc1ccccc1NCc1cc(C#N)n(C)c1 191382013 BAGFMDIUGDIQHX-UHFFFAOYSA-N 283.375 3.688 30 20 CHED C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cncs1 229113059 KVHOZXRWSLADMA-QMMMGPOBSA-N 263.753 3.841 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1 335482147 ZQTLUPPXSOHOFU-BFUOFWGJSA-N 291.398 3.869 30 20 CHED C[C@@H]1/C(=C/c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 220271074 IKMYTOYHMCWWIT-SAIXKJTDSA-N 279.295 3.978 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccsc1Cl 337974063 FEEJFENCXNPHFS-UHFFFAOYSA-N 276.748 3.834 30 20 CHED N#Cc1ccc(Sc2nc3cc(F)ccc3o2)cc1 511654118 PYVALBRHTZLTQL-UHFFFAOYSA-N 270.288 3.990 30 20 CHED CCC1(CC)CCC(N/C(O)=N/C[C@@]2(C)CCOC2)CC1 330991971 BCMBTAFSNYPYLX-MRXNPFEDSA-N 296.455 3.666 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1cc(F)ccc1OC 190729532 TUCSWIYSOKYVNU-MEDUHNTESA-N 279.355 3.614 30 20 CHED CSc1ccc(Cl)cc1NC(=O)[C@@]1(C#N)C[C@H]1C 334517863 OKUWMQNHXUEINM-AMIZOPFISA-N 280.780 3.550 30 20 CHED C=CCNC(=O)N[C@@H](CC1CCCC1)c1ccccc1 337625773 VDWJHXLNHVGRDX-INIZCTEOSA-N 272.392 3.793 30 20 CHED N#Cc1ccc(Nc2nc(C(F)F)cs2)cc1 334226147 FBWZFZMVMLVVGD-UHFFFAOYSA-N 251.261 3.696 30 20 CHED Cc1ccoc1CN1CCC(Oc2cccc(C#N)c2)CC1 92034380 LLFUFIUQWNZRGM-UHFFFAOYSA-N 296.370 3.503 30 20 CHED N#CCCC1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 335501985 USPSDRHPAJFHDR-UHFFFAOYSA-N 296.414 3.721 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C#N)c1C 510115396 CDQNLDUNLVOXKH-GUYCJALGSA-N 284.403 3.908 30 20 CHED CS[C@@H]1CCC[C@H](Nc2cc(F)cc(C#N)c2)C1 235239453 JMLCBVNPHMYJSY-GXTWGEPZSA-N 264.369 3.783 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425536043 DYYKRHNMZASFQM-AWEZNQCLSA-N 299.418 3.863 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 429063441 XFSQQJHSYFAXII-BLLLJJGKSA-N 295.810 3.826 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)Cc1cccc(C)c1 337868280 SCZRFPXZTCMYBK-UHFFFAOYSA-N 284.407 3.532 30 20 CHED C=C(C)CCN[C@@H](c1ccc(F)cc1)C(F)(F)F 510763031 LCQJBRXSRVHTJF-LBPRGKRZSA-N 261.262 3.985 30 20 CHED C=C(C)CN(CC)c1ccnc2c([N+](=O)[O-])cccc12 432318709 UOGOBWLWWUXRFX-UHFFFAOYSA-N 271.320 3.545 30 20 CHED N#CC1(CNC(=O)Nc2cc(Cl)ccc2Cl)CCC1 334916646 DVRKJPFCYWXZHH-UHFFFAOYSA-N 298.173 3.809 30 20 CHED C=CCC[C@@H](NCc1cc(F)cc(F)c1)C1CC1 439082603 DKBWNOZZJDZPFK-OAHLLOKOSA-N 251.320 3.799 30 20 CHED C=C(C)CS[C@@H](C)c1cc(C(=O)OC)c(C)o1 431076957 AAVWHCPPZLVLHI-JTQLQIEISA-N 254.351 3.745 30 20 CHED C[C@@H]1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 349311832 KOVYLXPULIGKBZ-OEUWWYETSA-N 254.377 3.907 30 20 CHED O=C1CCc2cc(OCC#Cc3ccc(Cl)cc3)ccc21 436052637 MWMGHWYXUIQBBY-UHFFFAOYSA-N 296.753 3.899 30 20 CHED CC(C)(C)[C@H](COc1ccccc1F)NCCCC#N 343590856 MYWPGGYCXGPBAY-HNNXBMFYSA-N 278.371 3.513 30 20 CHED C=CC[C@H](CO)N[C@H]1CCC[C@@H](c2ccccc2)CC1 527690406 FUSANPNVINJYNM-FGTMMUONSA-N 273.420 3.630 30 20 CHED C[C@@H](CCC#N)CN[C@@H](CC(C)(C)C)C(F)(F)F 602598059 ADDXNOWXOOMTCY-QWRGUYRKSA-N 264.335 3.883 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2ccccc2CC#N)CC1 601178803 DAWNXPNPXSGHIR-OAHLLOKOSA-N 284.403 3.651 30 20 CHED C[C@@H]1CC[C@@H](C(=O)OCc2cc(C#N)ccc2F)C[C@H]1C 1265727604 QONLVDCVMNYJES-YRGRVCCFSA-N 289.350 3.813 30 20 CHED C=CCCCCCN(C)Cc1ccc(O)c(OC)c1 180084312 QLMWVNKPKOQBAK-UHFFFAOYSA-N 263.381 3.579 30 20 CHED O=C(/C=C\c1csc2ccccc12)c1cnccn1 255561950 IIQIWGJLNOZOOL-WAYWQWQTSA-N 266.325 3.587 30 20 CHED CN(Cc1cccc(C#N)c1F)c1c(F)cccc1F 340887121 ZASYLROLOVDULI-UHFFFAOYSA-N 276.261 3.612 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1nc2c(cc1C#N)CCC2 609192764 DXYQNJSVQXQEAI-SFHVURJKSA-N 289.382 3.850 30 20 CHED Fc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2)cc1 254513385 BOBWVDHJBGAVOY-UHFFFAOYSA-N 298.346 3.629 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 604880142 WUJQMPOJBNISIO-OLZOCXBDSA-N 296.414 3.987 30 20 CHED C=CCCN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 349376989 WEAQGSXWTCSETE-OAHLLOKOSA-N 288.439 3.608 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@@H]2CCCC)CC1 600870125 YYUQPCOIIOHLRM-HOTGVXAUSA-N 278.440 3.953 30 20 CHED CCOc1ccc(C(=O)/C=C\c2c(C)noc2C)cc1 255928846 UOLXELISCGGSMF-KTKRTIGZSA-N 271.316 3.586 30 20 CHED Cc1nc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)ccc1C#N 603566923 HMRSBAIONSUYFY-CABCVRRESA-N 299.418 3.596 30 20 CHED C=CC[C@@H](CO)CN[C@@H]1CCSc2c(Cl)cccc21 341871323 DFECFLWNYPHHKC-BXUZGUMPSA-N 297.851 3.651 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2cccs2)cc1OC 254943818 VRWWKXMKSZGZNW-SREVYHEPSA-N 288.368 3.970 30 20 CHED CC1(C)CC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1 351834463 VIAJLNIGKNLCFN-JKSUJKDBSA-N 299.418 3.909 30 20 CHED N#CC1(CNCc2ccc(F)c3ccccc23)CCC1 602699775 RHOIQKVCXQMMBW-UHFFFAOYSA-N 268.335 3.762 30 20 CHED N#CCc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 602613718 PGRVGOSARLZBCP-BBWFWOEESA-N 282.387 3.512 30 20 CHED C=CCCOCCCCC(=O)NC[C@@H]1CCC[C@H](C)C1 538298280 IGDGUKPOLWENBU-JKSUJKDBSA-N 281.440 3.692 30 20 CHED C=CCC1(C(=O)NCc2ncc(CC)s2)CCCCC1 449976961 XFMSSFJZWBWXPH-UHFFFAOYSA-N 292.448 3.848 30 20 CHED C=CCCC1(C(=O)N[C@H](CCOC)c2ccc(C)o2)CC1 356699413 MTLWIBPCUJJOCA-CQSZACIVSA-N 291.391 3.528 30 20 CHED C=C(C)CSCC(=O)N(C)[C@@H](C)c1ccccc1 357023480 CURLLFIDTJWPBA-ZDUSSCGKSA-N 263.406 3.515 30 20 CHED CC1(C)CCCC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1F 447479777 JSMMAQWBKNBIBC-ZFWWWQNUSA-N 288.366 3.723 30 20 CHED C=CCCOCC(=O)N[C@H](c1ccccc1Cl)C(C)C 604234634 XPQLJOQZTUSDNJ-INIZCTEOSA-N 295.810 3.746 30 20 CHED N#Cc1ccc(CN(CC2CCC2)CC2CC2)cc1 355736934 UZZZLLVCCPTAGK-UHFFFAOYSA-N 254.377 3.570 30 20 CHED CC(C)Cn1ccc2c(C(=O)N(C)C[C@H](C)C#N)cccc21 446099797 LHCNDODKWAFJDD-CQSZACIVSA-N 297.402 3.529 30 20 CHED C=CCOc1ccc(CC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 449951880 IRFQMLCDORKIIJ-WMZOPIPTSA-N 299.414 3.585 30 20 CHED C=CCOc1ccc(CNCCc2ccco2)cc1Cl 539415376 IDAUBWVMQWCZSP-UHFFFAOYSA-N 291.778 3.830 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1c[nH]cc1C 351842251 JQXWLCYAHAOALR-UHFFFAOYSA-N 260.381 3.532 30 20 CHED COc1ccc(C)cc1CN[C@H](C)c1ccc(C#N)c(F)c1 611466045 UNYNYGIAKURUDU-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CCC1 358768722 JKTNPJZXOUCYOX-BXUZGUMPSA-N 291.341 3.683 30 20 CHED CCCN(Cc1cccc(C#N)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 265872540 MRDYZVXPEHBNNG-KZNAEPCWSA-N 298.430 3.584 30 20 CHED N#Cc1ccc(CNc2ccc(F)cc2C#N)cc1Cl 619747300 SIKBVWVHFINTTK-UHFFFAOYSA-N 285.709 3.835 30 20 CHED CCOCc1ccc(CNCc2ccc(C#N)cc2F)cc1 269453426 WHEURBKQTWHWNJ-UHFFFAOYSA-N 298.361 3.524 30 20 CHED C=C(CC)CSc1ncnc2c1cnn2-c1ccccc1 536901232 QFVQUBNIDGVMMJ-UHFFFAOYSA-N 296.399 3.874 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@H](C)C2(C)CC2)c1 456011649 VAMVHQHIXJLOMP-GFCCVEGCSA-N 271.364 3.519 30 20 CHED CC(C)(C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(F)(F)F 530912991 VGHOASXDHQXWCU-NSHDSACASA-N 299.296 3.657 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)Sc1ccccc1Cl 362598112 BKPZODBGYCIEKO-VHSXEESVSA-N 269.797 3.511 30 20 CHED CC[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612357478 DFYQPULIHFTRGN-CRAIPNDOSA-N 299.418 3.515 30 20 CHED C[C@@H]1CC(NC(=O)Nc2cccc(CC#N)c2)C[C@@H](C)C1 455911107 DMYXOYRWJXFDBI-STQMWFEESA-N 285.391 3.699 30 20 CHED C[C@@H](CCC#N)CNc1ccc(Cl)c(C[S@](C)=O)c1 619242555 FAHCLWWPTYDTCW-WLRWDXFRSA-N 298.839 3.570 30 20 CHED CCC[C@@H]1C[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 360373677 GGZWYGJUBVSMKL-PMPSAXMXSA-N 270.376 3.584 30 20 CHED C=CCCCc1nc(Cc2c(F)cccc2Cl)no1 546258136 HIBGBYRFXWFFQZ-UHFFFAOYSA-N 280.730 3.962 30 20 CHED C=CCOCCSc1ccccc1Br 549341095 JLVDZKJYIYVQHO-UHFFFAOYSA-N 273.195 3.744 30 20 CHED N#CCCCN1CC2(CCCC2)[C@H]1c1ccccc1 459587587 WLPTZFRTBSJPQU-MRXNPFEDSA-N 254.377 3.907 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)c1cccc(F)c1F 543412853 RDOWXSAAUMNEIN-MNOVXSKESA-N 282.334 3.680 30 20 CHED CC[C@H](Nc1ccc(CCO)cc1)c1ccc(C#N)cc1 278358917 BHMUWWJXWFZJOB-SFHVURJKSA-N 280.371 3.656 30 20 CHED CC(C)(C#N)CC(=O)NC1CCC(c2ccccc2)CC1 278181003 CRYHIQGCNDBHPB-UHFFFAOYSA-N 284.403 3.769 30 20 CHED C=C(C)CCNC(=O)Nc1c(C)noc1-c1ccccc1 455133692 FOYOWRJHQKQPDB-UHFFFAOYSA-N 285.347 3.738 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2cccc(O)c2)CCCCC1 276529795 LCTYEZZCCWAPJB-CQSZACIVSA-N 285.387 3.543 30 20 CHED N#Cc1cc(F)ccc1NCc1ncoc1-c1ccccc1 364851224 OYZUMUCXLODNEB-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=CCCc1noc(C[C@H](C)c2ccccc2F)n1 453249532 USYROJJRALGUCR-NSHDSACASA-N 260.312 3.674 30 20 CHED N#Cc1cc(Cl)ccc1CSC[C@@H]1CCCOC1 548142638 RLEKRUVQANDNIG-LLVKDONJSA-N 281.808 3.871 30 20 CHED Cc1ccccc1[C@H]1CN(CCC(C)(C)C#N)[C@H](C)CO1 272045238 RWYNYNSUFLBMEH-NVXWUHKLSA-N 286.419 3.697 30 20 CHED C=CCC[C@H](NCCc1ccc(C)cn1)c1ccco1 453441074 WZLXIGBGNZCUML-INIZCTEOSA-N 270.376 3.823 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc(C(C)(C)C)s1 540532349 LUWDXRDUDNPXOG-NSHDSACASA-N 280.437 3.915 30 20 CHED Cc1ccccc1[C@H](NCC#N)[C@@H]1CCC[C@@H](C)C1 540360560 ZLAKNTIPCHBRTL-FRFSOERESA-N 256.393 3.976 30 20 CHED C=C(CC)CSc1nnc(-c2cccc(OC)c2)o1 629252232 WECRNPFZLLPUOD-UHFFFAOYSA-N 276.361 3.804 30 20 CHED CC(C)c1ccc(CCC(=O)N2CCC(CC#N)CC2)cc1 541049013 IUXYOUCGWSLSJL-UHFFFAOYSA-N 298.430 3.895 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)N2CCC(CC#N)CC2)C1 541968609 ROMCFVSYIBWFBE-HOTGVXAUSA-N 291.439 3.536 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1ccccc1F)c1ccco1 285916387 DMTLMUYDWYRFDS-HZPDHXFCSA-N 289.350 3.749 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CCc2ccccc21 281532457 YPYHDYUOGIHBCI-ZBFHGGJFSA-N 272.392 3.670 30 20 CHED C=CCSCCN[C@H]1CCC[C@@H](c2ncccc2C)C1 467337627 DOBCNQBJRWXVCZ-CVEARBPZSA-N 290.476 3.925 30 20 CHED C=CCCCCCCNC(=O)c1cc(C)cs1 379164579 ZAHKDJBFCYRTIY-UHFFFAOYSA-N 251.395 3.923 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1ccccc1C(F)(F)F 285301306 DDMBRSDBUQTKSV-AWEZNQCLSA-N 298.308 3.604 30 20 CHED C[C@@H]1CCCC[C@H]1NC1(c2cccc(C#N)c2)CC1 556608146 FETZHSMSAVVVIZ-CZUORRHYSA-N 254.377 3.716 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](CC)Oc1ccccc1C 467991846 CFRLISILZWIXOY-YJBOKZPZSA-N 289.419 3.871 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(c2ncccc2C#N)C1 286360499 KVSPWWMUGUOZNW-BBRMVZONSA-N 263.344 3.541 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2c2ccccc2Cl)c1 286408254 OJRSEBZSKWKFII-OAHLLOKOSA-N 283.762 3.948 30 20 CHED CC(C)(CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)C1CC1 550412640 MQLNTKNHNLDGAK-CQSZACIVSA-N 290.794 3.847 30 20 CHED CCc1occc1C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 281930700 HSXTUYBVWVPILM-ZDUSSCGKSA-N 296.370 3.937 30 20 CHED N#CC1(CCCNc2cccc(Cl)c2)CCOCC1 281232997 PDBWOCKRQHXTQS-UHFFFAOYSA-N 278.783 3.852 30 20 CHED C=CCOCc1nc(C(C)(C)c2ccc(Cl)cc2)no1 557521832 DQXKRDVJHXSCFR-UHFFFAOYSA-N 292.766 3.752 30 20 CHED C=C(C)[C@H](NCc1cncc(F)c1)c1ccc(F)c(F)c1 558117119 SETNJFMCXSESTI-INIZCTEOSA-N 292.304 3.906 30 20 CHED C=C[C@H](C)NC(=O)CCc1ccc(-c2ccccc2F)o1 465107089 HPMQYLZMVBZFKK-LBPRGKRZSA-N 287.334 3.709 30 20 CHED N#CCC[C@@H](C#N)CNCC1(c2ccccc2)CCCC1 557576669 MYPPZSKKUNQNKO-INIZCTEOSA-N 281.403 3.532 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cnc(OC)c(Cl)c1 556574007 NDSZPOLOJHURDD-ZYHUDNBSSA-N 268.788 3.749 30 20 CHED C=CCC1(C(=O)N(CCC)CC(F)F)CCCC1 460081481 YCJHIQWVGBAWHL-UHFFFAOYSA-N 259.340 3.627 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCCOCc1ccccc1 466765065 NXFKDMLQGZNLNK-SFHVURJKSA-N 289.419 3.654 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ccncc2)C1 289036644 BEYUGJKTJNLSPX-DNVCBOLYSA-N 291.398 3.894 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cccnc2N2CCCC2)no1 288837842 CFXWFFSPKUFIIW-KRWDZBQOSA-N 298.390 3.586 30 20 CHED C=CCCC[C@H](C)N[C@H](c1nc[nH]n1)C1CCCCC1 638837810 XPXQCXXRQBHKCM-ZFWWWQNUSA-N 276.428 3.761 30 20 CHED Cc1cc(C#N)nc(N[C@H]2C[C@H](c3ccccc3Cl)C2)n1 555268248 JHWZXRHUWWNVJZ-HAQNSBGRSA-N 298.777 3.668 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](C)c1cncc(F)c1 805276564 YECVERLUTLKMHH-ZDUSSCGKSA-N 293.386 3.717 30 20 CHED Cc1c(F)cccc1NC(=O)[C@]1(C#N)CC12CCCC2 295159922 QMPSOCSBIGYUGN-MRXNPFEDSA-N 272.323 3.547 30 20 CHED C#Cc1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1 809655173 CSWQPFYRQFVRER-IBGZPJMESA-N 293.410 3.517 30 20 CHED C=C(C)CSCC(=O)Nc1cccc(C(F)(F)F)c1 476998564 FWEVPUKCPNPWTN-UHFFFAOYSA-N 289.322 3.953 30 20 CHED C=CCCCS[C@H](Cc1ccc(C)cc1)C(=O)OC 477039606 JNWWYFPRBIUVEV-OAHLLOKOSA-N 278.417 3.779 30 20 CHED C#CCCCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 805772826 OICUTHIKWITWHW-ZDUSSCGKSA-N 283.337 3.982 30 20 CHED C=CCCc1noc(-c2ccccc2OCC2CC2)n1 297381433 RBYZPFLHPHIRIG-UHFFFAOYSA-N 270.332 3.644 30 20 CHED CC(CC1CC1)=NN[C@@H](C)CCc1ccc2c(c1)OCO2 802713911 YDHADEPXFIPVLN-LBPRGKRZSA-N 288.391 3.502 30 20 CHED C=C(C)C[C@H](C)c1nc(-c2ccncc2N2CCCC2)no1 561909037 BWYGXPHXICVXMJ-ZDUSSCGKSA-N 298.390 3.802 30 20 CHED C=CCC[C@H](NCc1ccc2cnn(C)c2c1)c1ccco1 563879133 ZJFATCITVQASKY-INIZCTEOSA-N 295.386 3.963 30 20 CHED C=CCC[C@H](CC)NCc1cccc([N+](=O)[O-])c1C 478499891 SJKOBCIXHPROKI-AWEZNQCLSA-N 262.353 3.738 30 20 CHED C[C@@H](C#N)OCCN(c1ccc(F)cc1)C1CCCC1 801933910 DOZVKIZCWMBKDR-ZDUSSCGKSA-N 276.355 3.503 30 20 CHED C=C(CNC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 644917276 FZQUYVWATXOZGI-PREGVCBESA-N 269.388 3.642 30 20 CHED C#C[C@@H](CC)N[C@H](C)Cc1ccc(Br)c(F)c1 809686391 QHYXPLMBGPXPCW-PWSUYJOCSA-N 298.199 3.521 30 20 CHED COC[C@@H](/N=C\c1ccccc1O)c1cccc(Cl)c1 809144101 CWWWXDVAKQYNCU-YQYFLZKSSA-N 289.762 3.852 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 563260811 YEVKEZDWRJUQIL-NKGKWGDASA-N 296.414 3.747 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1CCC[C@@H](C)C1 642012444 YRJXBROKMSIPAW-KGLIPLIRSA-N 273.376 3.560 30 20 CHED COC(=O)c1cc(NCc2cccc(C#N)c2)cc(C)c1C 486073290 GVZYRRDTAKTAJM-UHFFFAOYSA-N 294.354 3.574 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)c2ccc(CC#N)cc2)[C@@H]1C 482692436 SDNDUTHZUYUDCA-CKEIUWERSA-N 284.403 3.555 30 20 CHED Clc1ncccc1C=NNc1nc2ccccc2s1 814686580 PIVJDORHWLBMFI-UHFFFAOYSA-N 288.763 3.791 30 20 CHED Fc1ccc(C=NNc2ccc(F)c(F)c2F)cc1F 814945475 XVHSREMPXHVCEH-UHFFFAOYSA-N 286.203 3.828 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(CC)c(F)c1 488792720 ALXMHUCEGOLLHT-UHFFFAOYSA-N 272.323 3.628 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2OC(=O)CCCC#N)cc1 813069108 ZFFIQLRLZXJPFR-HZPDHXFCSA-N 271.360 3.868 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)OC1CCOCC1 810042652 DGBAYZYTUKVRFC-CQSZACIVSA-N 285.428 3.888 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N2CCC(CCC#N)CC2)C1 570723697 UTPQCDDQLCRAPZ-GDBMZVCRSA-N 276.424 3.745 30 20 CHED C#Cc1ccc(C(=O)N(c2ccc(CC)cc2)C(C)C)cn1 813259510 LHSLCVJUCNEHLF-UHFFFAOYSA-N 292.382 3.681 30 20 CHED C=CCC(C)(C)CNC(=O)CCCOc1ccccc1F 489827313 LGLYVXIYOTUHLR-UHFFFAOYSA-N 293.382 3.703 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 819734571 RLWICEMLVMREFC-BBRMVZONSA-N 299.422 3.652 30 20 CHED CN(CC1CCCCC1)C(=O)Nc1ccc(C#N)c(F)c1 576152305 AKCYXJMGFWUFER-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=CCCCCCCCNC(=O)C[C@@H]1CCCCO1 810767317 SFNDNKWKDVDLBF-HNNXBMFYSA-N 267.413 3.588 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)c(F)c1)C2 811695198 ZYJNBDUDVZTVTP-WLRTZDKTSA-N 281.261 3.659 30 20 CHED CCCCCC[C@@H](C)NN=C[C@@](C)(OC)C1CC1 814858982 KSRGYECTIBTSBI-UKRRQHHQSA-N 254.418 3.736 30 20 CHED N#Cc1ccc(C(=O)OC[C@@H]2CCCc3ccccc32)cc1 729219919 TZHZFWRTHYJKIN-KRWDZBQOSA-N 291.350 3.835 30 20 CHED CCC(CC)=NNc1nnc(-c2ccccc2)s1 814947426 RAHYEEBGBCZELU-UHFFFAOYSA-N 260.366 3.793 30 20 CHED C#Cc1ccccc1CC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 812978462 QVUNYDOEXJIJNH-CABCVRRESA-N 283.415 3.636 30 20 CHED C=CCOCCCSCc1ccc(Cl)cn1 577927724 LJYXIGNFQXLJDI-UHFFFAOYSA-N 257.786 3.561 30 20 CHED C=CCNC(=S)N[C@H](CCCCC)c1ccccc1 727980333 NSLQQMBEXDDLKZ-OAHLLOKOSA-N 276.449 3.958 30 20 CHED C#C[C@H](N[C@@H]1CCO[C@H](CC)C1)c1ccc(Cl)cc1F 824370684 NSENKTXDGABKII-IOASZLSFSA-N 295.785 3.701 30 20 CHED C=CCCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1 665945261 DJMYZWGORKVNBP-GXTWGEPZSA-N 276.380 3.647 30 20 CHED C=CCN(C(=O)c1ccn(C)c1-c1ccccc1)C(C)C 826071002 GRACMBYPQAXXGP-UHFFFAOYSA-N 282.387 3.729 30 20 CHED Cc1cncc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)c1 589084767 BVLATRZSGAQXQB-UHFFFAOYSA-N 296.717 3.632 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)CCCCCC#N 588156506 XXANJDMTBRDJAL-GJZGRUSLSA-N 264.413 3.936 30 20 CHED CCCCCCCCC(=O)Nc1ccc(F)cn1 728475665 FMIVUOGKVYYCDX-UHFFFAOYSA-N 252.333 3.910 30 20 CHED c1ccc2c(c1)CCCC2=NNc1ncnc2sccc12 725818496 PFUVWLZSMOUQNK-UHFFFAOYSA-N 294.383 3.844 30 20 CHED C#CCOc1cccc(NC(=O)N2CCC[C@H](CC=C)C2)c1 820983630 UWVQOVOGTNVQBH-HNNXBMFYSA-N 298.386 3.519 30 20 CHED C=CCCCCNC(=O)N1CCOc2ccccc2[C@@H]1C 661033483 IHUFLJVZEDGKBH-AWEZNQCLSA-N 288.391 3.508 30 20 CHED C=CC[C@H]1CCCN([C@@H](C)c2nc(CCCC)no2)C1 661379552 ZORBMVDCOAYPDV-KBPBESRZSA-N 277.412 3.761 30 20 CHED C=CCN(C)CCCOc1ccc2ccccc2c1 494697805 FZYGFUZVBXJFAE-UHFFFAOYSA-N 255.361 3.727 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(O)Cc1ccc(F)cc1 901372148 SEDIUJUDJXHOEK-GFCCVEGCSA-N 279.355 3.760 30 20 CHED CCN(C(=O)CCCCCC#N)c1ccccc1C 588842965 GSALFYCQBUVUIK-UHFFFAOYSA-N 258.365 3.822 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 837158036 ZFSYXVDHKSFJQS-GRYCIOLGSA-N 259.340 3.529 30 20 CHED C#CCN(CC)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 730485777 NCDRMNPDZMRGSR-LLVKDONJSA-N 298.213 3.654 30 20 CHED CC(C)C#CC(=O)Nc1ccc(OC(C)C)cc1Cl 832661430 USZKJHFPGAVNLM-UHFFFAOYSA-N 279.767 3.725 30 20 CHED CC1(C)CN(C(=O)CCCCCC#N)CC(C)(C)C1 588684630 PQXYDSXQBWNZNI-UHFFFAOYSA-N 264.413 3.745 30 20 CHED N#CC1(CCCCOC(=O)/C=C\c2ccc(O)cc2)CCC1 908792066 XXDARASSZKXLIE-TWGQIWQCSA-N 299.370 3.813 30 20 CHED Cc1cc(NN=Cc2ccc(Cl)c(Cl)c2)ncn1 731934498 AWNLQEUIZXSZQL-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CC(CCCc1cccnc1)=NOC/C=C\Cl 834979273 MAKAKEMDOIKLJP-SIGQQKMXSA-N 252.745 3.549 30 20 CHED C[C@H]1/C(=C/c2ccc(C3CCCC3)cc2)C(=O)c2ncnn21 905083451 DJJQWKQSWUZYGT-KPENOIPVSA-N 293.370 3.777 30 20 CHED CC[C@H]1C[C@@H](C(=O)OCCCCC2(C#N)CCC2)CCO1 909153034 GOCXDNJEDGNYMP-GJZGRUSLSA-N 293.407 3.599 30 20 CHED N#CCCCCCc1nc(-c2cc(F)cc(F)c2)no1 589088856 VTPBLFPKSARJBE-UHFFFAOYSA-N 277.274 3.641 30 20 CHED CCC#C[C@H](C)N[C@H](CC)c1ccc(OC)c(OC)c1 671705931 NBTHXDZJNDNXOD-DZGCQCFKSA-N 275.392 3.546 30 20 CHED C#CCN(CC)C(=O)N[C@H](c1ccccc1Cl)C(C)C 734673217 HYZHMRKLHJERCC-HNNXBMFYSA-N 292.810 3.702 30 20 CHED C=C(Br)CN1CCC[C@](C)(c2ccccc2)C1 733614751 ZAAGFYRHAOFRFW-HNNXBMFYSA-N 294.236 3.949 30 20 CHED CC(C)(NC(=O)/C=C\c1ccccc1C#N)c1cccs1 735018150 QRGVTVFUOCRZEJ-KTKRTIGZSA-N 296.395 3.684 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)C1(C#N)CCCC1 583169499 XIFUCRXNRBVIFN-UONOGXRCSA-N 276.424 3.744 30 20 CHED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C#CC(C)(C)C 837401449 FRIMVYMGARQCEC-HNNXBMFYSA-N 283.415 3.863 30 20 CHED C=C(C)CNC(=S)Nc1ccccc1Oc1ccncc1 731946024 RZTNJSNJXOLNMM-UHFFFAOYSA-N 299.399 3.736 30 20 CHED C[C@H](Nc1ccc(NC(=O)O)c(F)c1)c1cccc(C#N)c1 833526329 TYMVOFXCGHLMNP-JTQLQIEISA-N 299.305 3.960 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1c[nH]nc1C 918134664 BORASENWJADKII-CYBMUJFWSA-N 294.443 3.514 30 20 CHED C=C(C)CN1CCC(NCc2ccccc2C2CC2)CC1 674334365 FQRQJPBBBWBXPS-UHFFFAOYSA-N 284.447 3.694 30 20 CHED CC(C)COc1ccccc1C=NN[C@H](C)C(F)(F)F 834998454 HZALCSGOVGYGGC-LLVKDONJSA-N 288.313 3.596 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(CC2(C#N)CC2)n1 590285393 YYYPPTCFSANVKI-NWDGAFQWSA-N 259.353 3.600 30 20 CHED CC(=O)c1cc(C#N)ccc1NCCCCOC(C)(C)C 834673557 SNHSVFNTXWTFBO-UHFFFAOYSA-N 288.391 3.768 30 20 CHED C=CCN(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 916122309 PESDZGVWJZYRPB-OFQRWUPVSA-N 286.444 3.742 30 20 CHED CCCCCCCCCN(C)c1nccn2c(C)nnc12 745971778 OJYGMDLCURSUES-UHFFFAOYSA-N 289.427 3.620 30 20 CHED C[C@H](SCc1cc2n(n1)CCC2)c1cccc(C#N)c1 593193059 ODTHYPJHSGECBL-LBPRGKRZSA-N 283.400 3.695 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)c1 915987461 DWUAAPZOXPUNST-JXMROGBWSA-N 280.323 3.518 30 20 CHED CCC[C@H](C(=O)Nc1nc(C)cc(C)c1C#N)C(C)C 598856020 BJKIOKYDOHALAF-ZDUSSCGKSA-N 273.380 3.581 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCn2c(Cl)ccc2[C@H]1C 848088956 UIHDNLWXLWWNSP-IAQYHMDHSA-N 280.799 3.647 30 20 CHED N#CCC1(COC(=O)c2cc3c(F)cccc3s2)CC1 744276680 IVTGSRUBKJACTB-UHFFFAOYSA-N 289.331 3.891 30 20 CHED CCCON=C(C)c1cccc(-c2ccncc2)c1 842558285 WFXSSEOIBINLDM-UHFFFAOYSA-N 254.333 3.899 30 20 CHED CCN(C(=O)/C=C/c1ccccc1C#N)c1cccc(F)c1 914522639 WCCONOSUMSMLSC-ZHACJKMWSA-N 294.329 3.764 30 20 CHED N#Cc1ccc(CN(CCc2ccccc2)C2CC2)c(F)c1 746118742 BFCVMDTYKIDKRC-UHFFFAOYSA-N 294.373 3.904 30 20 CHED C[C@H](C#N)c1ccc(-c2ccccc2C(=O)O)cc1 592968240 JQWRSVUSGVFQFZ-LLVKDONJSA-N 251.285 3.679 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)/C=C\c1ccccc1C#N 742720039 OQHWMGRSIBQPMB-UCFRMXPJSA-N 270.376 3.512 30 20 CHED Cc1cccc(Cl)c1CN1CCC[C@](C)(C#N)C1 590715616 VWAYCOYUDAEXAJ-OAHLLOKOSA-N 262.784 3.774 30 20 CHED C[C@H]1CCC[C@@H](C)N(Cc2ccc(OCC#N)cc2)C1 741795029 WRYZBXVRLPRROH-LSDHHAIUSA-N 272.392 3.599 30 20 CHED C=CCCCOC(=O)Cc1cccc(OC(F)(F)F)c1 748344960 BNUGTTNCRSXFIP-UHFFFAOYSA-N 288.265 3.637 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1CCC(F)(F)F 593517187 HFDOWGHHHLMNKG-SNVBAGLBSA-N 284.281 3.670 30 20 CHED C[C@H](c1ccccc1Cl)N(C)C[C@H](O)CC(C)(C)C#N 598586084 OFLDXKRPGMYCRL-CHWSQXEVSA-N 294.826 3.634 30 20 CHED C[C@H](CSc1ccccc1)N(C)CCCCC#N 593047382 ZQRWISKTMJYUEX-CQSZACIVSA-N 262.422 3.793 30 20 CHED Cc1cccc(C)c1NC(=S)NCC(C)(C)CC#N 840846484 XRBHZOFFCWACOE-UHFFFAOYSA-N 275.421 3.530 30 20 CHED CCCCC[C@](C)(CC)C(=O)N(C)[C@H](C#N)CC 847168923 PHDCKTNDCAYEJP-ZFWWWQNUSA-N 252.402 3.744 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1C(C)C 847024469 FYIRIHJXZMOHFH-WMLDXEAASA-N 287.403 3.521 30 20 CHED CCN(C(=O)/C=C\c1ccco1)[C@H](C)c1ccc(C#N)cc1 914509485 NHIVAKIVSBHQNX-IWMPZKFUSA-N 294.354 3.774 30 20 CHED C#CCN(CC)C(=O)Nc1ccc2ccn(CCC)c2c1 749230251 ZLTQCMOIEUUAIW-UHFFFAOYSA-N 283.375 3.538 30 20 CHED N#C[C@@H]1CC[C@H](Sc2ncc(-c3ccccc3)[nH]2)C1 590721700 KSJDGWOEIUXULF-YPMHNXCESA-N 269.373 3.861 30 20 CHED CC(=O)Nc1ccc(SCC(C)(C)CC#N)cc1 594880416 FMDITJJGHXIRDR-UHFFFAOYSA-N 262.378 3.677 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1Cc1ccc(C#N)cn1 595600957 LRHBTBANRDEIBZ-GOSISDBHSA-N 291.398 3.907 30 20 CHED Fc1cc(NN=C2CCc3ccccc32)cc(F)c1F 747641686 DJHVJUQSJUJXOM-UHFFFAOYSA-N 276.261 3.866 30 20 CHED C=C[C@@H](C)ONC(=O)c1cc(Cl)ccc1SCC 846544375 AOIOIGGXIZCHQO-SECBINFHSA-N 285.796 3.688 30 20 CHED N#Cc1ccc(CNCC2(c3cccc(F)c3)CCC2)o1 922704316 CTTTYBILMRZSMC-UHFFFAOYSA-N 284.334 3.502 30 20 CHED CC(C)(C)NC(=O)c1ccc(C#Cc2ccccc2)cc1 680949053 LHWLQEXJFDXQEU-UHFFFAOYSA-N 277.367 3.615 30 20 CHED C[C@]1(C=NNc2ncccc2F)C[C@@H]1c1ccccc1 841635764 AAZZLBRIHZIEAM-CZUORRHYSA-N 269.323 3.812 30 20 CHED C[C@]1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)C[C@@H]1c1ccccc1 841255807 OESFJSLHWHGOEI-IIVZCXTMSA-N 283.371 3.806 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccsc1)CC2 741847661 JMFHFCCFZFVATR-MDWZMJQESA-N 270.353 3.969 30 20 CHED C=C[C@H](C)ONC(=O)c1cc(Cl)ccc1SCC 846544379 AOIOIGGXIZCHQO-VIFPVBQESA-N 285.796 3.688 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2c(C)cccc21 682437717 UDVOFLDLUNIOQM-QGZVFWFLSA-N 257.377 3.877 30 20 CHED CC(C)Cc1ccc(CCC(=O)N2CCC[C@@H](C#N)C2)cc1 928219922 DOJORUAYQCEARB-SFHVURJKSA-N 298.430 3.580 30 20 CHED C=CC[C@H](N[C@H](C)C1(Br)CC1)c1ccncc1 925075805 QXKMKHMDITZSAO-YPMHNXCESA-N 295.224 3.604 30 20 CHED COCCOc1cc(C)ccc1N[C@H](C)CC(C)(C)C#N 925715869 JDOQRMFXDYFNQI-CQSZACIVSA-N 290.407 3.761 30 20 CHED C[C@H](Cc1ccccc1Cl)Nc1ccc(C#N)nc1 750016442 YANSCRDQFBBVMM-LLVKDONJSA-N 271.751 3.650 30 20 CHED C=CCN(C(=O)c1cccc(-c2cnn(C)c2)c1)C(C)(C)C 857650763 HJMBQRVPQHLZML-UHFFFAOYSA-N 297.402 3.514 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](CCO)c1ccc(Cl)cc1 926427409 FEMSVVJKTMXIJP-SWLSCSKDSA-N 294.826 3.681 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)s1 752875361 OYFRKHHEJBBQBK-FNORWQNLSA-N 291.303 4.000 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@]1(C)CCC[C@H]1C 851206333 QQHUWWAKLHYRBT-LALPHHSUSA-N 251.370 3.684 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCc2cc(O)ccc2C1 683723980 ZKAOENOGJGWIKK-IRXDYDNUSA-N 273.420 3.974 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(N)cc1C 758117224 PDOXPXFHWIRGHJ-UHFFFAOYSA-N 275.302 3.692 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn(C2CCCC2)c1 928792181 BTBGADWPBOGWIB-OAHLLOKOSA-N 261.369 3.539 30 20 CHED C#CCCCC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 757979370 APRAGVWIWSHCKX-UHFFFAOYSA-N 271.360 3.657 30 20 CHED N#CCCCSc1nnc(NCc2cccs2)s1 920207515 CRHPPTWEZOWGRN-UHFFFAOYSA-N 296.446 3.608 30 20 CHED CCCCCCCCN[C@@H]1Cc2cccc(O)c2C1 759690156 FJSKIRUWTPELEC-OAHLLOKOSA-N 261.409 3.810 30 20 CHED C(=NO[C@@H]1CCCCO1)c1cccc(-c2ccccn2)c1 755819082 HEUCFKOVPAKQFJ-QGZVFWFLSA-N 282.343 3.626 30 20 CHED C[C@H](NN=C1CCc2c(F)cccc21)c1ccccc1 921259787 IWXLOXQDPWNQHN-LBPRGKRZSA-N 268.335 3.827 30 20 CHED CCCC[C@@](C)(F)C(=O)Oc1ccc(C#N)cc1F 857597319 ZSEKLMPALMNEAQ-CQSZACIVSA-N 267.275 3.521 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ncoc1-c1ccccc1 851210176 ONCDDXVVSGQRBA-LBPRGKRZSA-N 298.342 3.827 30 20 CHED Cc1ccnc(NN=Cc2cc3cc(F)ccc3o2)c1 755900516 KYGXRUVXSXYIFU-UHFFFAOYSA-N 269.279 3.721 30 20 CHED Cc1ccc(C)c(NC(=O)C2(C#N)CCCCC2)c1 44384965 NIZQWJAUMNIIKB-UHFFFAOYSA-N 256.349 3.716 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2 756712448 QHJWVCCKQAIXSJ-CHWSQXEVSA-N 259.393 3.886 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)OCCCCC#N 751909145 XSIQZDNDNQHDAI-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED C[C@@H]1CCCCN1N=Cc1nc2ccc(F)cc2s1 853378864 DPPQIACBNGGSME-SNVBAGLBSA-N 277.368 3.644 30 20 CHED C[C@@H](C=NNc1ccc(C(F)(F)F)nn1)c1ccccc1 754710016 GMAIJYWRDRUFPS-JTQLQIEISA-N 294.280 3.697 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H](c2cccc(F)c2)C1 932058497 PBJQCGTWTCAQCG-HIFRSBDPSA-N 275.367 3.744 30 20 CHED C=C1CN(C(=O)Nc2c(CC)cc(C)cc2CC)C1 931250435 NLYWBOUCCPPVFK-UHFFFAOYSA-N 258.365 3.524 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(-c2nnc(CC)o2)c1 933865124 KXHYTWTVGCCOOS-GFCCVEGCSA-N 299.374 3.840 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCCc2sccc2C1 932220371 LRFWPBGJRKNJRM-LBPRGKRZSA-N 263.406 3.625 30 20 CHED N#CC1(CCCCNC2(CCO)CCCCC2)CCC1 930022640 CYJVTAUPGKNIPA-UHFFFAOYSA-N 278.440 3.525 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(-c2ccccc2C#N)cc1 769962995 OEMNPMBQGMHIRA-HNNXBMFYSA-N 274.367 3.679 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(C#N)c(C)c1 766490420 IRVHMRHPCHERDO-ALCCZGGFSA-N 276.339 3.720 30 20 CHED COC(=O)c1coc(C(C)=NNc2ccc(Cl)cc2)c1 766424334 JHGLSJWRGDREAQ-UHFFFAOYSA-N 292.722 3.556 30 20 CHED CCCOc1ccc(NC(=O)c2cc(C#N)[nH]c2C)cc1C 863526276 KZXHVJPJJBRVCB-UHFFFAOYSA-N 297.358 3.544 30 20 CHED N#CC1(OC(=O)c2ccc(Cl)c(Cl)c2)CCC1 762106980 XXYSAZVBBIIEAC-UHFFFAOYSA-N 270.115 3.596 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)OCC1(C#N)CCC1 768091662 QYJPBXSONRWMHZ-UHFFFAOYSA-N 292.404 3.600 30 20 CHED CC(=NNc1ccccc1)c1ccccc1N(C)C 769567546 RLOZEECDELHEEY-UHFFFAOYSA-N 253.349 3.589 30 20 CHED CCCC1(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CC1 761063897 CISJHPUODUATQK-LLVKDONJSA-N 268.316 3.584 30 20 CHED CC(C)N(CCS[C@@H](C#N)Cc1ccccc1)C(C)C 762206281 SYMSFTSDVYMEJI-QGZVFWFLSA-N 290.476 3.973 30 20 CHED CN(C(=O)Nc1sccc1C#N)[C@@H]1CCc2ccccc21 931845837 NMGPDFWDTDBNIU-CQSZACIVSA-N 297.383 3.771 30 20 CHED N#C[C@@H]1CC[C@@H](n2cc(-c3ccc(Cl)cc3F)nn2)C1 863850889 MCCDTLNBJXHTJL-MWLCHTKSSA-N 290.729 3.602 30 20 CHED C#CCCOc1ccc([N+](=O)[O-])cc1-c1cccs1 760357477 DXVOADCBISDELA-UHFFFAOYSA-N 273.313 3.725 30 20 CHED CCCCCCC(=O)Nc1nc2cc(C#N)ccc2n1CC 764513569 KBUXNZOKEKNDGY-UHFFFAOYSA-N 298.390 3.837 30 20 CHED FC(F)(F)C1CCC(=NOCc2cccnc2)CC1 766024278 CJQXDTRQXCJWSZ-UHFFFAOYSA-N 272.270 3.707 30 20 CHED Cc1csc(C(=O)N[C@H](C#N)C2CCCC2)c1Cl 1119668147 RHNFESWQMYFHOD-SNVBAGLBSA-N 282.796 3.522 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1cncc(Cl)n1 769569745 IFVMGOYWCMVFNV-ZJUUUORDSA-N 266.776 3.744 30 20 CHED C#C[C@@H](C)N(C)C(=O)/C(C)=C\c1c(Cl)cccc1Cl 767244331 UXIXNTJMUVGCAZ-DWOQACPDSA-N 296.197 3.877 30 20 CHED C[C@H](OC(=O)C1(C#N)CCC1)c1ccc(Cl)cc1 764563627 LJFUJTVPRXJBAD-JTQLQIEISA-N 263.724 3.638 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)c1ccc(O)cc1 767982846 NLBLHTROPFWRAZ-UHFFFAOYSA-N 295.338 3.550 30 20 CHED CC[C@H](C)c1nnc([C@H](C)Oc2ccc(C#N)cc2)o1 1117240216 OUSPUUICUZJORZ-QWRGUYRKSA-N 271.320 3.595 30 20 CHED C=CCCOC(=O)[C@H](C)Sc1nc2ccccc2s1 762902044 SEPNWPILFSFCNK-JTQLQIEISA-N 293.413 3.896 30 20 CHED CCc1nc2c(s1)C(=NOC1CCCC1)CCC2 774603409 SAOJDIXIZLJMIV-UHFFFAOYSA-N 264.394 3.705 30 20 CHED CCC(CC)CNN=Cc1c(F)cccc1Cl 774478935 SVGXDBSUMBBRMW-UHFFFAOYSA-N 256.752 3.839 30 20 CHED Cc1ccc(C=NNc2oc(C(C)C)nc2C#N)c(F)c1 872346381 ABXPFIOZFGUNSV-UHFFFAOYSA-N 286.310 3.563 30 20 CHED N#CCCCCOC(=O)c1ccc(SC(F)(F)F)o1 870203466 HLPDGBUNWKAPPV-UHFFFAOYSA-N 293.266 3.742 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1ccc2c(c1)COC2 773029071 BBCPEHDPIAMGTE-LBPRGKRZSA-N 296.345 3.578 30 20 CHED CCC(=NOCCC(F)(F)F)c1ccc(O)c(F)c1 777461148 VQLSMYHGPRFTST-UHFFFAOYSA-N 279.233 3.614 30 20 CHED Cc1cc(C=NOC2CCCCC2)cnc1Cl 777459225 NHDMSVFBRWRCDM-UHFFFAOYSA-N 252.745 3.727 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 779431168 YXFYNDRNJXMJQC-UHFFFAOYSA-N 297.358 3.832 30 20 CHED CCOCCON=C1CC2(CCCC2)Oc2ccccc21 774423212 SIZPFTQBDUPUAJ-UHFFFAOYSA-N 289.375 3.539 30 20 CHED CC1(C)Cc2cc(N[C@H]3CCC[C@H](C#N)C3)ccc2O1 774341756 CSPILSCZXNJCTG-JSGCOSHPSA-N 270.376 3.894 30 20 CHED C=C[C@H](COC)NC(=O)[C@H](CCC)CC1CCCCC1 1116622919 NIOCMWKSWYQWAS-HZPDHXFCSA-N 281.440 3.690 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccc(F)nc1 777466824 GAZMAKJTMJKCLB-QHHAFSJGSA-N 259.255 3.564 30 20 CHED COc1cccc2cc(C=NOCCC(F)(F)F)oc12 777461117 VKRYREJFSKNUTC-UHFFFAOYSA-N 287.237 3.744 30 20 CHED C=C(C)COC(=O)c1nc(C)sc1-c1ccccc1 778856950 BIKLCQOXYGYYSZ-UHFFFAOYSA-N 273.357 3.851 30 20 CHED Clc1ccnc(NN=C[C@@H]2C[C@H]2c2ccccc2)c1 777905696 KGEJDWYSECYJSX-JSGCOSHPSA-N 271.751 3.936 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccccc2Cl)c(F)c1 777879888 WRDFTKNWZYZXQG-UHFFFAOYSA-N 293.685 3.833 30 20 CHED COc1ccccc1N[C@@H](C)c1ccc(C#N)c(F)c1 776751987 FFFKDXFOMDQSOP-NSHDSACASA-N 270.307 3.879 30 20 CHED C=CCCC(=NNc1nccnc1C(C)C)C1CC1 773085739 LCIRIRXQVDWDDK-UHFFFAOYSA-N 258.369 3.744 30 20 CHED CCCn1cc(N[C@H]2CCCc3cc(C#N)ccc32)cn1 777196675 FVGBVCRFEGGFPW-KRWDZBQOSA-N 280.375 3.654 30 20 CHED CCc1ccc([C@H](C)C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 1129609683 YPFRNGFSRPTGOA-QRTARXTBSA-N 285.387 3.978 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1ccc(F)cc1F 779742286 RAHXKSJSQPFCRP-GFCCVEGCSA-N 279.330 3.726 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(C#N)ccc1F 888354373 XMWPDAWZYBFONF-ABAIWWIYSA-N 289.354 3.740 30 20 CHED C#CCCCCCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 780327271 GSQDQAWTCGBWCU-QAPCUYQASA-N 275.436 3.997 30 20 CHED C#CCCCNC(=O)c1ccc(C(C)C)c(Cl)c1 786188028 UPKBGVYGCBPTEX-UHFFFAOYSA-N 263.768 3.607 30 20 CHED Clc1cccc(CNN=C2CCC3(CCCO3)CC2)c1 788021130 YJTNACOIGYHLGI-UHFFFAOYSA-N 292.810 3.909 30 20 CHED CC(=NNc1ccc(Br)cc1C)[C@H]1CCCO1 783846391 NKCAUZIBRPTZTR-CYBMUJFWSA-N 297.196 3.724 30 20 CHED C[C@H]1CCCC(=NNc2ncccc2Cl)[C@H]1C 781123520 XXSDJGZNOLERON-UWVGGRQHSA-N 251.761 3.959 30 20 CHED N#C[C@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)C1 896501717 HSAGHKCMELOLJJ-SNVBAGLBSA-N 286.272 3.580 30 20 CHED CCn1c(-c2nc(C)c(C)s2)nc2cc(C#N)ccc21 899259502 IIXIFABLJCQKEZ-UHFFFAOYSA-N 282.372 3.668 30 20 CHED C#CC(C)(C)N(C)Cc1c(C)cc(C)c(C(C)=O)c1C 787997395 MJZUCPLJWVMTGW-UHFFFAOYSA-N 271.404 3.658 30 20 CHED N#Cc1ccccc1COC(=O)c1csc(Cl)c1 786351604 USLYLOVWPOCAKW-UHFFFAOYSA-N 277.732 3.630 30 20 CHED C[C@@H](NN=Cc1ccc2cnccc2c1)c1ccccc1 782200412 FPTHHHROHRNNNH-CQSZACIVSA-N 275.355 3.920 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cnn(Cc2ccccc2)c1 785763350 YUCKVKHUWKULLT-SFHVURJKSA-N 298.386 3.577 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2cc(C)cs2)c1 1206305537 GTARRSNTVYDRJX-UHFFFAOYSA-N 285.372 3.558 30 20 CHED FC(F)c1ccc(C=NOCCC(F)(F)F)cc1 794536003 MNZVJORXYCDLCM-UHFFFAOYSA-N 267.197 3.927 30 20 CHED COC(=O)c1csc(C(=O)/C=C/c2ccc(C)cc2)c1 794723926 AAKUMMNQYCMWBD-BQYQJAHWSA-N 286.352 3.739 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(C)c(C)o2)ccc1C#N 799896044 UFCWHBTZQKLLPO-FNORWQNLSA-N 265.312 3.973 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NNC2CCCC2)C1 799112678 UTFIPOXXXCFHCD-CQSZACIVSA-N 271.408 3.936 30 20 CHED C=CCC(C)(C)c1noc([C@H](O)C2CCCCC2)n1 896328577 PMXVNRRDKHGMBM-GFCCVEGCSA-N 264.369 3.537 30 20 CHED CC1(C)CCCN(Cc2sccc2Cl)[C@@H]1C#N 549341261 MMRMABQRMYVSKP-GFCCVEGCSA-N 268.813 3.916 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1ccnc(F)c1 794898129 YLIPAUWBWUNKSX-UHFFFAOYSA-N 283.350 3.936 30 20 CHED c1ccc(CNN=C2CCC[C@@H](c3cccnc3)C2)cc1 799870460 MJSPCBNGLOLVKT-MRXNPFEDSA-N 279.387 3.885 30 20 CHED C#CCCCCCC(=O)N(C)c1cccc2cccnc12 798509730 CCNMESLNIIFJDX-UHFFFAOYSA-N 280.371 3.781 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc(Br)cn2)C1 661380238 LMPUJEUWCJYVBD-LBPRGKRZSA-N 295.224 3.632 30 20 CHED C=CCOc1ccc(C/N=C\c2cc(OC)ccc2O)cc1 794682285 UHLKOFXYRGEIFT-UYRXBGFRSA-N 297.354 3.585 30 20 CHED N#Cc1ccc(NN=C2CCC[C@@H]2c2ccccn2)cc1 794895579 GIPNHXBZPKJCDE-OAHLLOKOSA-N 276.343 3.689 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNC(=S)Nc1cccnc1 797400193 QWJRPRPKGQWTDO-VXGBXAGGSA-N 290.436 3.570 30 20 CHED CCCCCCCS(=O)(=O)N(C1CC1)[C@@H](C)C1CC1 799759295 LIJKPVCQHGUUTK-ZDUSSCGKSA-N 287.469 3.550 30 20 CHED C=CCOc1ccc(C=NN[C@@H](C)C(C)(C)C)cc1OC 793115651 SFGSTVCAPVXPLO-ZDUSSCGKSA-N 290.407 3.618 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccsc2Cl)n1 790167387 DNJLHYIOGTYZDV-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C[C@H](CCC#N)N(C)C[C@H]1CCCCN1Cc1ccccc1 719939533 ZMZHMADMJJPMGT-IEBWSBKVSA-N 299.462 3.665 30 20 CHED N#CCc1cccc(NCc2nc3c(s2)CCCC3)c1 590662305 QSZWAINZJGMXOC-UHFFFAOYSA-N 283.400 3.700 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Oc1ccc(C#N)cc1 796506110 INVVZUZXIRZDFC-DZGCQCFKSA-N 257.333 3.680 30 20 CHED CCc1cccc(C)c1NN=C(C)c1ccc(F)cn1 799495750 WUTGCYBTFKOMJL-UHFFFAOYSA-N 271.339 3.928 30 20 CHED CCCCCC#CCCOS(=O)(=O)c1ccc(C)cc1 196798252 TZQLRNRMHAJTCK-UHFFFAOYSA-N 294.416 3.674 30 20 CHED C[C@@H](CCc1ccccc1)N[C@@H](C)CC(C)(C)C#N 695816608 PFZYZBBUHIIUCK-GJZGRUSLSA-N 258.409 3.926 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1sccc1C 772986256 CHMVXDWSHNLTAO-AWEZNQCLSA-N 285.412 3.919 30 20 CHED N#CCC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 782087857 HXGAVLRGPWCMQV-UHFFFAOYSA-N 284.190 3.514 30 20 CHED CC[C@H]1c2ccccc2CCN1CC1(CC#N)CC1 1167417917 ZZYOYHVSWOPXMP-INIZCTEOSA-N 254.377 3.690 30 20 CHED Cc1cc(C#N)cc(NC(=O)C(C)(C)Nc2ccccc2)c1 1161671558 YIPVYIJHRXCABN-UHFFFAOYSA-N 293.370 3.696 30 20 CHED Cc1ccc(NC(=O)C(C)(C)C#N)c(Cl)c1Cl 1319645396 NVKUSSVXKZGEFV-UHFFFAOYSA-N 271.147 3.790 30 20 CHED CCc1oc2ccccc2c1C(=O)N(C)CC(C)(C)C#N 1324594934 YPQAVYAOLPKDQI-UHFFFAOYSA-N 284.359 3.617 30 20 CHED CC(C)(C)Cc1nnc(CSc2ccc(C#N)cc2)o1 1328347982 LVEBGJHQUZBPBI-UHFFFAOYSA-N 287.388 3.822 30 20 CHED C=C[C@H](COC)NC(=O)[C@H](CCC)c1ccc(Cl)cc1 1328559883 NKPYHCRZRVHSBS-HUUCEWRRSA-N 295.810 3.541 30 20 CHED CCN(C(=O)CC#Cc1ccccc1)[C@@H]1CCCC[C@@H]1C 1322557544 NJGGXDLOBPMSEZ-FUHWJXTLSA-N 283.415 3.855 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(Nc2ccccc2)CC1 1320620504 ZYLUYNIRGJHTGH-SFHVURJKSA-N 286.419 3.692 30 20 CHED CC(=O)c1ccc(COC(=O)CC2(C#N)CCCCC2)cc1 1327183178 SSHQPFNVRMHFHP-UHFFFAOYSA-N 299.370 3.797 30 20 CHED COc1ccc(CSc2ccc(C#N)cn2)cc1C 1188610934 CESLYFCCDLPWND-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CC#CCS[C@@H](C)c1nccn1-c1ccccc1 1324105652 VEOHXFXBFCRVTC-ZDUSSCGKSA-N 256.374 3.690 30 20 CHED CC[C@H](CC(=O)Nc1cnc(Cl)cc1C#N)C(C)C 1338911806 JAWVGBAVCGGGQA-SNVBAGLBSA-N 279.771 3.617 30 20 CHED C=C[C@@](C)(CC)c1nnc(-c2cc(OC)cc(OC)c2)o1 1330079925 XROUWOGAAISVGG-INIZCTEOSA-N 288.347 3.608 30 20 CHED C=C(C)CCC(=O)NC[C@H](c1ccccc1)C1CC1 1337239833 MKRGWEFBFIAJDH-MRXNPFEDSA-N 257.377 3.653 30 20 CHED CC[C@H](C#N)N(CC)C(=O)C[C@@H](C)c1ccccc1C 1337716287 PCVSWWAODKQKHZ-HUUCEWRRSA-N 272.392 3.639 30 20 CHED C=C[C@@H](CC(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1344003442 GVRMOGLSTVGNJP-DZGCQCFKSA-N 294.329 3.757 30 20 CHED CC(C)(C#N)c1nnc(COc2ccc3ccccc3c2)o1 1345842813 WFNSHCQFLRZHRG-UHFFFAOYSA-N 293.326 3.603 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1ccc(F)c(F)c1 1352705358 UAJZADUQRJHNQQ-UHFFFAOYSA-N 292.310 3.565 30 20 CHED Cc1cccc(Cl)c1C(=O)N(C)Cc1ccc(C#N)cc1 1526298731 YOVUMFIGEFCIFP-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C=CC(C)(C)C(=O)OCc1sccc1Br 1525917735 RMPJIEVETSMKOS-UHFFFAOYSA-N 289.194 3.766 30 20 CHED CC[C@@H]1CCN(C(=O)c2ccccc2SCC#N)[C@H]1C 1467293976 RNOJCYBTPGNMDC-QWHCGFSZSA-N 288.416 3.563 30 20 CHED N#CCc1cccc(NC(=O)c2cc(Cl)cs2)c1 1460145206 YMUWERWPLJSYJU-UHFFFAOYSA-N 276.748 3.720 30 20 CHED CSc1ccc(CNc2cccc(C#N)c2C)o1 1461541476 RXNQZONKVRTGGL-UHFFFAOYSA-N 258.346 3.794 30 20 CHED N#Cc1sccc1C(=O)Nc1cccc(-c2ccon2)c1 1536212612 YDAQHBLYJBZBQD-UHFFFAOYSA-N 295.323 3.527 30 20 CHED N#Cc1ccccc1SCc1cc(C(=O)O)cs1 1601127838 TUJZKGSFXXRKHE-UHFFFAOYSA-N 275.354 3.610 30 20 CHED CC[C@H](NC(=O)Nc1cc(C#N)ccc1F)[C@H]1CC1(C)C 1466788977 RRWJONBZLCUXBE-YPMHNXCESA-N 289.354 3.644 30 20 CHED CC1(C)CCC(C(=O)O[C@H]2CCC[C@H](C#N)C2)CC1 1535479010 KAZIDNVOFBLSFB-JSGCOSHPSA-N 263.381 3.828 30 20 CHED COc1ccc([C@@H](C)Nc2ccc(C#N)cc2F)cc1 112012609 BNCGCDMHXXJWDW-LLVKDONJSA-N 270.307 3.879 30 20 CHED CN(c1ncc(C#N)cc1F)[C@@H]1CCC[C@@H]1C(C)(C)C 1472809221 MNIWPPBZZYIROA-GXTWGEPZSA-N 275.371 3.743 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)CCC1CCCCC1 1626371899 QFHMTKCPPMMRCI-UHFFFAOYSA-N 284.403 3.909 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 117396230 ANIDLKZMXYFFCT-CYBMUJFWSA-N 271.364 3.602 30 20 CHED CC[C@@H]1CCC[C@H](C)N1Cc1cc(C#N)ccc1OC 1560018202 JGXYLYYNPNBGKJ-XJKSGUPXSA-N 272.392 3.720 30 20 CHED Cc1cc(C#N)nc(N2CCC[C@@H]2CCC2CCCCC2)n1 1639642733 HQTZCVCFZONFLI-QGZVFWFLSA-N 298.434 3.986 30 20 CHED CC(C)CCN(CCC#N)CCO[C@@H]1CCCC[C@H]1C 1641932626 AWAYGCRMMCIOEQ-IAGOWNOFSA-N 280.456 3.843 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H]2CCC(C)(C)C2)c1C#N 1651814910 MQNBYQGAVLMYIF-NSHDSACASA-N 277.799 3.930 30 20 CHED C[C@@H](COCC1CCCCC1)NCc1cccc(C#N)c1 1655655508 MECXFOHABXFAPK-HNNXBMFYSA-N 286.419 3.633 30 20 CHED C[C@H](CC(C)(C)C#N)NCCC1Cc2ccccc2C1 1657761832 PRMJSFYFMZQNOY-CQSZACIVSA-N 270.420 3.709 30 20 CHED CCCN(c1nccc(Oc2cccc(C#N)c2)n1)C(C)C 1651187548 SUTLRDSQJHQMLW-UHFFFAOYSA-N 296.374 3.765 30 20 CHED C=C(Cn1c(C2CCC2)nnc1N(C)CC)c1ccccc1 1749244092 FBWXRSXLNBUTTQ-UHFFFAOYSA-N 296.418 3.715 30 20 CHED C=C[C@@H](Nc1cc(-c2ccc(C)o2)ccc1C)C(=O)O 1588702335 QIJYSCQYHCUDHD-CYBMUJFWSA-N 271.316 3.615 30 20 CHED Cc1ccccc1C[C@H]1CCCN1CC1(CC#N)CC1 1652530074 IJQJARDADOASIO-QGZVFWFLSA-N 268.404 3.696 30 20 CHED C=C(C)c1cccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@H]32)c1 1588605527 KVCLJCIUHSOMNW-SJXGUFTOSA-N 271.360 3.631 30 20 CHED C=C[C@@H](N[C@@H](c1ccc(CC(C)C)cc1)C1CC1)C(=O)O 1588697351 UCZUAXSODGVSET-SJORKVTESA-N 287.403 3.565 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(F)cc(C#N)c1 1679884805 BATSNUWPECEAGW-XHDPSFHLSA-N 289.354 3.740 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC23CCC(CC2)C3)c1 1670905572 IUHNMIQHMBEAAE-UHFFFAOYSA-N 283.375 3.569 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@@H](C)c2ccccc2C)C1 1776153582 IZRLIZINSAAQEF-MAUKXSAKSA-N 287.403 3.799 30 20 CHED CC(=O)CCc1ccc(OCc2cccc(C#N)c2)cc1 19509997 NFNJXVBMMBORCP-UHFFFAOYSA-N 279.339 3.659 30 20 CHED N#Cc1cccc(CNCc2ccccc2Cl)c1 19908190 YKRCOXUFQLOREQ-UHFFFAOYSA-N 256.736 3.501 30 20 CHED N#Cc1cccc(NCc2ccccc2Br)c1 19922421 DMLMKFGKEDJBRG-UHFFFAOYSA-N 287.160 3.933 30 20 CHED C=CCN(C)C(=O)[C@@H](C)c1ccc2ccccc2c1 161872329 VKBKGJARONFOID-ZDUSSCGKSA-N 253.345 3.588 30 20 CHED CC[C@@H](C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 160585127 AIROTJSBYSBXGT-SNVBAGLBSA-N 285.372 3.666 30 20 CHED CCC(CC)CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 151529299 CLNOTQNSWHEUDC-LBPRGKRZSA-N 269.348 3.565 30 20 CHED CCN(C(=O)c1cscc1C)c1ccc(C#N)cc1 152107451 IWPSEVGSEURMHY-UHFFFAOYSA-N 270.357 3.595 30 20 CHED CCN(Cc1ccc(C#N)o1)Cc1ccccc1Cl 154170850 OHBHEYJCKFMTSJ-UHFFFAOYSA-N 274.751 3.827 30 20 CHED C#Cc1ccc(CN[C@@H]2CCCc3ccccc32)cc1 809424772 ZMRUECDWWABOPA-LJQANCHMSA-N 261.368 3.835 30 20 CHED CCc1ccc([C@@H](C)Nc2ncccc2C#N)cc1 37976813 AYZBWGJZUYMGAQ-GFCCVEGCSA-N 251.333 3.689 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)cc2Cl)n1 162923822 NEZZVHQNDPZJDU-UHFFFAOYSA-N 285.778 3.547 30 20 CHED CSc1ccc(Cl)c(C(=O)NCC(C)(C)CC#N)c1 458016798 FNNPEZVRPWGGIS-UHFFFAOYSA-N 296.823 3.732 30 20 CHED N#Cc1cccc(CCN[C@H]2CCCC23CCCC3)c1 563865025 RUCWJDZUPVRJBA-KRWDZBQOSA-N 268.404 3.803 30 20 CHED CCc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1 307960611 KSRYSSXZGCYNJE-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc(C)c2F)c1 308135141 NKUYGSKYJAPMJO-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C[C@H]1SCC[C@H]1Nc1cccc(Cl)c1C#N 309842288 QIYFMHYKGFNFMY-LDYMZIIASA-N 252.770 3.518 30 20 CHED C=C(CC)CN[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 313501954 KRGVYZLSFDKUFZ-LSDHHAIUSA-N 296.455 3.626 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2nc(Cl)ccc2Cl)C1 703688628 DQQVWMCZUOMWQV-SNVBAGLBSA-N 299.201 3.817 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 708498071 XGWSVNILFKCPRE-HNNXBMFYSA-N 274.383 3.955 30 20 CHED N#Cc1cc(N2CCC[C@@H]3C[C@@H]32)ccc1C(F)(F)F 588066609 TVHOMGGHBKUGMJ-RNCFNFMXSA-N 266.266 3.566 30 20 CHED C=CCCCCNCc1ccc(OC)c(OC)c1Cl 389195397 PTLJZEFGJWZJCJ-UHFFFAOYSA-N 283.799 3.803 30 20 CHED O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cccnc1 7739391 WEHUNIKMORMCQN-VOTSOKGWSA-N 277.245 3.997 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](CCC)c1ccccc1 57158044 NTYSNPGEZYREPL-INIZCTEOSA-N 259.393 3.995 30 20 CHED Cc1ccc(C)c(NC=C2C(=O)CC(C)(C)CC2=O)c1 10120732 YMIRKGBZQJUZOH-UHFFFAOYSA-N 271.360 3.557 30 20 CHED C=CCS[C@H](C)C(=O)Nc1ccccc1OC(F)F 114757337 LWRMIAVXJVSLOR-SECBINFHSA-N 287.331 3.534 30 20 CHED CCc1ccc([C@@H](C)NC(=O)C2(C#N)CCCCC2)cc1 57383528 MJFBCTRTXGPQPM-CQSZACIVSA-N 284.403 3.900 30 20 CHED N#Cc1cc(CN2CC[C@H](c3ccccc3)C2)ccc1F 119302775 GFDZBQSDSUDSCS-INIZCTEOSA-N 280.346 3.687 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 55456044 ZACOYMUOFODTOZ-SJORKVTESA-N 279.314 3.549 30 20 CHED C[C@H](SC[C@H]1CCCCO1)c1ccc(C#N)cc1 118443850 GJPKBUWDQISEOF-SWLSCSKDSA-N 261.390 3.922 30 20 CHED CCCCO[C@@H]1C[C@@H](NCC(C)(C)CCC#N)C1(C)C 176985966 DYKWZZSXOFVVIY-HUUCEWRRSA-N 280.456 3.890 30 20 CHED C[C@H](c1ccccc1)[S@@](=O)CCCC(C)(C)C#N 178097214 MHOZPUBCXFAQAA-ACJLOTCBSA-N 263.406 3.826 30 20 CHED CCN(CC#N)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 106635788 JNDDBPLPNGPAHQ-UHFFFAOYSA-N 296.345 3.787 30 20 CHED C#CCCCCC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 179922652 CGTOWKDXBDIHON-UHFFFAOYSA-N 295.386 3.963 30 20 CHED COc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1OC 108145150 UQUWGPMBRJPOIR-OQLLNIDSSA-N 294.350 3.835 30 20 CHED CC[C@H](C#N)OC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 175999399 WTWHYXPBUIZXQZ-XYPHTWIQSA-N 279.339 3.789 30 20 CHED CC(C)(C)CCCC(=O)N(CCC#N)CC(F)(F)F 177612930 QDTFEEHEIAMHCX-UHFFFAOYSA-N 278.318 3.507 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc(OC2CCCC2)c1 116849762 QYNNYZYOLFBATP-CYBMUJFWSA-N 273.376 3.702 30 20 CHED CCOCc1ccc(CNCC(C)(C)CCC#N)cc1 174264016 QSBNWKWBNURWER-UHFFFAOYSA-N 274.408 3.643 30 20 CHED CCN(CCCNCc1cc(C#N)cs1)c1ccccc1 177682031 PPTSZIOALTXELU-UHFFFAOYSA-N 299.443 3.626 30 20 CHED C/C(=C\C(=O)N(C)[C@@H](C)CC#N)c1ccccc1Cl 171549601 YVAOEIXCRIZYJC-IIANPFDCSA-N 276.767 3.504 30 20 CHED Cc1nn(-c2ccccc2)cc1Nc1c(C#N)cccc1C#N 302894799 QNOFHKVDOIBLEO-UHFFFAOYSA-N 299.337 3.668 30 20 CHED N#Cc1c(N2CCC3(CCCCC3)CC2)nc2ccccn12 302078063 IAQLKSGSCIWIPN-UHFFFAOYSA-N 294.402 3.757 30 20 CHED N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1 61889443 GXTBROOTITVAGK-BXKDBHETSA-N 297.280 3.519 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H]1c1ccncc1 119873104 SUNGBHHUXCLVPP-HNNXBMFYSA-N 257.381 3.548 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)NCCCCC#N 172071140 QGZODBGUJXYNQE-CQSZACIVSA-N 279.428 3.728 30 20 CHED C[C@]1(CO)CCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 301729787 RTCPXEREZDZSEM-ZIAGYGMSSA-N 298.308 3.540 30 20 CHED C=CCCC(=O)Nc1ccc(SC)c(Cl)c1 175909919 DRLQGLLTKMOTGI-UHFFFAOYSA-N 255.770 3.967 30 20 CHED COc1ccc(Cl)c(NC(=O)c2cc(C#N)cs2)c1 176988560 VOBDSNPOGUPZPM-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCC(CC)S[C@H]1CCN(c2sccc2C#N)C1=O 176939674 FVJDXVJYWADJSQ-LBPRGKRZSA-N 294.445 3.647 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)CCc2ccccc2)cc1 110845355 GPWITHHFVNKRFQ-IBGZPJMESA-N 292.382 3.640 30 20 CHED C=CCNC(=O)c1cccnc1Sc1ccc(C)c(C)c1 22506512 RXCAPHXGSXUPEC-UHFFFAOYSA-N 298.411 3.765 30 20 CHED Cn1cc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cn1 171510884 KPJAWMBLTBDSFJ-RUDMXATFSA-N 293.153 3.549 30 20 CHED CC(C)[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 303589690 RNQBQECWLIEFMS-AWEZNQCLSA-N 287.363 3.729 30 20 CHED C=CCOc1cccc(NC(=O)CCc2cccs2)c1 65749369 INGMFEPWSAMIMZ-UHFFFAOYSA-N 287.384 3.884 30 20 CHED Cc1cccc([C@@H](C)S(=O)(=O)Cc2cccc(C#N)c2)c1 173976722 KCNZPPYPSLMCJS-CQSZACIVSA-N 299.395 3.543 30 20 CHED C[C@@H]1CCC[C@H]1Nc1ccc2cc(C#N)ccc2n1 301981216 QCMHXCJAYRUAPR-BXUZGUMPSA-N 251.333 3.707 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(F)cc2C)c1 123818244 GKGQPCBXFQGPML-UHFFFAOYSA-N 281.330 3.782 30 20 CHED C[C@H](c1cccc(O)c1)N(C)Cc1ccc(F)c(C#N)c1 120560454 AXVPEDICGLUQKZ-GFCCVEGCSA-N 284.334 3.596 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1=CCCCC1 126063593 FDNLFNPEOYKDGW-UHFFFAOYSA-N 282.387 3.796 30 20 CHED CC(C)(CNC(=O)Nc1ccc(C#N)cc1)c1ccccc1 31664416 IMSQSBOYERXGMP-UHFFFAOYSA-N 293.370 3.658 30 20 CHED N#Cc1cccc(CSc2ccc([N+](=O)[O-])cc2F)c1 185151747 SGGGPGRXZQMNIA-UHFFFAOYSA-N 288.303 3.898 30 20 CHED Cc1nnc(NC[C@@H](C)Sc2ccccc2)c(C#N)c1C 78505587 IDPKRWCUTKRTPQ-LLVKDONJSA-N 298.415 3.558 30 20 CHED C=C[C@H](CC(=O)NCc1ccccc1)c1ccccc1 36460883 LXTDDSHWXPRURQ-MRXNPFEDSA-N 265.356 3.663 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cc3c(cc2Cl)OCCO3)C1 185876410 ZODLSUWGQVETFP-QWRGUYRKSA-N 292.766 3.605 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 180061202 YHCKXMWBUPPRBI-ZDUSSCGKSA-N 298.390 3.575 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Cl)c(C)c1 120378887 BXBSPHBMUIDPAY-UHFFFAOYSA-N 251.757 3.687 30 20 CHED C[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccccc1 124853461 HVQWICGWSMDJEQ-LBPRGKRZSA-N 281.315 3.682 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H](C)c1ccccc1 123333761 GCZCDKHRHXGCMY-OAHLLOKOSA-N 286.419 3.969 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 127842379 CAMNFTZCEMMXHG-UHFFFAOYSA-N 282.318 3.614 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](Nc2ccccc2)C1 186286997 NUVQALGIUNXQRR-IBGZPJMESA-N 291.398 3.553 30 20 CHED N#CCc1ccc(NC[C@@H]2C[C@H]2c2ccccc2)cc1 459486391 PRZVIBLHVSLYAC-WMZOPIPTSA-N 262.356 3.968 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cc(F)c(F)c(F)c1 414161933 GKPPHKPXRZEOQH-SECBINFHSA-N 270.298 3.694 30 20 CHED C[C@H]1CC(C(=O)N(C)Cc2ccc(C#N)cc2)C[C@H](C)C1 182939335 NAEGBTVIGGGABF-ZIAGYGMSSA-N 284.403 3.589 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411322284 JQRJTJQCTADENE-RUGDWHBFSA-N 296.414 3.699 30 20 CHED CC(C)c1cc(N[C@H]2CCCc3cc(C#N)ccc32)ncn1 419019406 VDNFQUVLMOMSOO-INIZCTEOSA-N 292.386 3.961 30 20 CHED CC(C)(NCc1ccc(Cl)cc1C#N)c1nccs1 187259559 MAMFZVISMOJIBW-UHFFFAOYSA-N 291.807 3.693 30 20 CHED N#CCSCCCN(CC1CCCCC1)C1CC1 74982001 AUYGYXMCDGRDKW-UHFFFAOYSA-N 266.454 3.678 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCCC2)c(C)c(C)c1O 185720391 CAXJZQSOJBHBAY-UHFFFAOYSA-N 286.375 3.730 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 181188279 RFJUIRJBCZPAJP-ZDUSSCGKSA-N 299.374 3.620 30 20 CHED N#CC1(CCN[C@@H]2CCC[C@H]2OC(F)F)CCCCC1 411720330 MRUCUANWPOYNJJ-CHWSQXEVSA-N 286.366 3.600 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)Oc2c(Cl)cccc21 189847089 IVCWBLFNQCOIHZ-LBPRGKRZSA-N 291.778 3.648 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)NCCC1=CCCCC1 42837379 WWPDIYZRYYONKS-UHFFFAOYSA-N 297.402 3.590 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CC1CCCC1 416112856 XUOYPXBUSGEYTG-QGZVFWFLSA-N 282.387 3.632 30 20 CHED Cc1cnc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[nH]1 329522881 GHJHFOMKFFOASG-JHJVBQTASA-N 261.369 3.913 30 20 CHED O/C(=N/C12CC3CC(CC(C3)C1)C2)c1c[nH]c2cccnc12 329874972 GFFYEILJCOVLNE-UHFFFAOYSA-N 295.386 3.836 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H](OCCC)CC1 131858743 MVZTWADYEJDQKA-INIZCTEOSA-N 279.424 3.563 30 20 CHED CC(C)CC(C)(C)C(=O)N[C@@H](C)c1cccc(C#N)c1 84556030 YKAOKKFRMBCPJQ-ZDUSSCGKSA-N 272.392 3.808 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc(C#N)s1 134493252 WBTAUDWBPQFWND-SOFGYWHQSA-N 253.326 3.824 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(Br)cn1 381300972 IFZSCNJDTWMOJF-NSHDSACASA-N 283.213 3.851 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1cccc(C)c1 46807437 LMAJLAUXPIASQV-UHFFFAOYSA-N 277.433 3.653 30 20 CHED C=CCN(C)[C@@H](C)c1cccc(Br)c1 194971834 MMOWCEFOLAQXAN-JTQLQIEISA-N 254.171 3.628 30 20 CHED C=CCNc1ccccc1NC(=O)c1cccs1 89104503 FVUVCBQQIKXTIC-UHFFFAOYSA-N 258.346 3.598 30 20 CHED N#CCc1ccc(NCc2cc(Cl)cc3c2OCC3)cc1 228475010 CYBPZHXGXKMKBA-UHFFFAOYSA-N 298.773 3.953 30 20 CHED CC1(/C(O)=N/Cc2nnc(C3CC3)n2C2CC2)CCCC1 329877063 ITPIXXOWEJXDML-UHFFFAOYSA-N 288.395 3.527 30 20 CHED C=CCC(C)(C)c1noc(COC(C)(C)CC)n1 420500114 FUCKQIJZDRJMOO-UHFFFAOYSA-N 252.358 3.629 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)C(C)(C)CC(C)C)cc1 84692168 BSPWQMJAHIJARK-UHFFFAOYSA-N 297.420 3.713 30 20 CHED N#Cc1ccc(/C=C/c2ccc(Br)cc2)nc1 193445224 YKAZLUGMDPNNIR-XVNBXDOJSA-N 285.144 3.886 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H]1OCCc2sccc21 426344370 IHPBLLZXNKHVHI-QCQGSNGOSA-N 279.449 3.941 30 20 CHED CCO[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 80744773 JZGVJCBABUKMRD-SNVBAGLBSA-N 258.346 3.779 30 20 CHED C=CCN(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 428267842 JSYLTDMMWHDRKV-UHFFFAOYSA-N 270.376 3.723 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)C(C)(C)C)cc1 518832896 ZHRPTHMMEGSEGQ-DOMZBBRYSA-N 272.392 3.612 30 20 CHED C=C(C)CNCc1ccc(-c2cccc(F)c2F)o1 512389849 UFFAXBPHPGJRHT-UHFFFAOYSA-N 263.287 3.891 30 20 CHED CCCCS[C@H](C)C(=O)Nc1ccccc1CC#N 339189360 NTPUMEKOIZNAKA-GFCCVEGCSA-N 276.405 3.613 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2cccc(CC#N)c2)CC12CCC2 333613291 FGKKZGUTVARAJE-INIZCTEOSA-N 297.402 3.795 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)[C@]1(C#N)CC12CCCC2 334515581 MJDYJLBFHGDJQI-KBXCAEBGSA-N 282.387 3.680 30 20 CHED C[C@]1(/N=C(/O)CCc2ccc3ccccc3n2)CCCOC1 330181882 ONNOPZYGDPNLJF-SFHVURJKSA-N 298.386 3.693 30 20 CHED CC(C)C[C@@H](C)CC(=O)N1CCc2c(C#N)cccc21 421651772 MYGDCWOKYIGYNZ-CYBMUJFWSA-N 270.376 3.520 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2Cc2ccc(F)cc2)c1 515744471 JXMGNGZFFOVSQZ-IBGZPJMESA-N 294.373 3.904 30 20 CHED C[C@]1(/N=C(/O)c2coc(C3CCCCC3)n2)CCCOC1 330176814 KGTRZBWFABIDIL-INIZCTEOSA-N 292.379 3.596 30 20 CHED C=C(C)CN1CCC(NCc2c(C)cc(C)cc2C)CC1 236689420 KGQMNCFYQPQWKG-UHFFFAOYSA-N 286.463 3.742 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1ccccc1CC#N 335132824 AALUKYJZSDOLEV-CYBMUJFWSA-N 256.349 3.517 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCCC12CCOCC2 337456545 JIDOEVBMBYKCMK-ZNMIVQPWSA-N 251.414 3.526 30 20 CHED C[C@H](C#N)CNC(=O)c1ccc(C2CCCCC2)cc1 517642671 VYTYVPLKNUAYRW-CYBMUJFWSA-N 270.376 3.624 30 20 CHED CC(C)(CCC#N)CNCc1conc1Cc1ccccc1 339401462 VTENQQDGFWZYFD-UHFFFAOYSA-N 297.402 3.685 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccccc2CC#N)c1F 336479897 YQXWQMOZXRGLHV-UHFFFAOYSA-N 286.281 3.592 30 20 CHED N#C[C@H]1CC[C@@H](N2CC=C(c3ccc(F)cc3)CC2)C1 336630916 QTTYNQBWYYMNCS-SUMWQHHRSA-N 270.351 3.607 30 20 CHED N#Cc1ccc(CSc2ncco2)c(Br)c1 335876767 KZPUCDUAPWXNIG-UHFFFAOYSA-N 295.161 3.601 30 20 CHED COc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)cc1 90340317 IPYPUHYWPOJGRM-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)CCC1 345534991 YBEJKWRMLVTCLB-HUUCEWRRSA-N 273.351 3.544 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCCc3ccccc32)C1 249054685 YHDIFABYYNBVTN-KMFMINBZSA-N 254.377 3.736 30 20 CHED C=CCN(CC=C)C(=O)c1cc2c(C)cc(C)cc2[nH]1 248342407 YDRUUTCRWQFJNQ-UHFFFAOYSA-N 268.360 3.599 30 20 CHED CO[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 248924893 XBLQUDMYSZWQHQ-UHOFOFEASA-N 292.810 3.699 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1c[nH]cc1C 340443171 DOMIAGBPOSAQKE-UHFFFAOYSA-N 294.807 3.866 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)OCC(C)C 522109244 OXIJTZGOKDQYCP-OAHLLOKOSA-N 281.440 3.642 30 20 CHED Cc1ccc(F)c(CN(C)Cc2cccc(C#N)c2)c1 349732390 OBYJIBIIVZCPBG-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C=CCC[C@H](O)CN[C@H](CC(C)C)c1ccccc1OC 342334818 LNAOOVQBCOHCPM-DOTOQJQBSA-N 291.435 3.699 30 20 CHED N#Cc1ccc(OCc2ccc(C(F)(F)F)cn2)cc1 340604865 WLYWMMJXAHNBKT-UHFFFAOYSA-N 278.233 3.551 30 20 CHED COc1ccc(C#N)cc1NCc1cc2c(F)cccc2[nH]1 437801240 OWCAYZQRKIBISK-UHFFFAOYSA-N 295.317 3.799 30 20 CHED C=CCc1cc(/C=C/c2ccncc2C#N)cc(OC)c1O 436575560 IXZSHJVUFNWRAT-AATRIKPKSA-N 292.338 3.566 30 20 CHED C=CCN(CC(=O)c1cc(C)[nH]c1C)Cc1cccs1 347985874 CKEUJFNRDDVDGQ-UHFFFAOYSA-N 288.416 3.564 30 20 CHED N#CCN1CCCC[C@H]1c1ccccc1C(F)(F)F 340186163 RFZIACYLCILVIN-ZDUSSCGKSA-N 268.282 3.756 30 20 CHED CC[C@H](NC[C@H]1CCCSC1)c1ccc(C#N)cc1 348214174 KSOSILSYHAPBBA-ZBFHGGJFSA-N 274.433 3.742 30 20 CHED C=C1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 341990644 DMYSDYBYVSWMOC-CYBMUJFWSA-N 292.810 3.627 30 20 CHED C=C(C)CN(CC)C(=O)c1ccnc(Oc2ccccc2)c1 522181928 SLWCTIHRWSPUPN-UHFFFAOYSA-N 296.370 3.912 30 20 CHED Cc1csc(NC(=O)c2ccc(Cl)c(F)c2)c1C#N 344915290 BCBYCFSMVOURBE-UHFFFAOYSA-N 294.738 3.973 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(F)cc2Cl)cn1 255338993 GBABAZMPEZLOQL-XQRVVYSFSA-N 278.714 3.592 30 20 CHED Cc1cccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)n1 430600746 YJAKQCOWJKYJFH-LLVKDONJSA-N 299.399 3.634 30 20 CHED CN1CCCC[C@H]1CCSc1ccc(C#N)cc1 340680380 UVHXXYRLXDBZNQ-AWEZNQCLSA-N 260.406 3.525 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(C)c(F)c2)c1 254916471 PPKKXSSPOZIJEI-HJWRWDBZSA-N 297.329 3.989 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1C[C@H]1CC)c1ccccc1 438104733 YKRFVPHEBGKEMP-VNQPRFMTSA-N 257.377 3.651 30 20 CHED C[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1OC(F)F 342033920 CNMINEQRDHVXAT-QWRGUYRKSA-N 280.318 3.532 30 20 CHED CN(C)c1ccc(C=NNc2ccc3ccccc3n2)cc1 254710862 JKNZJAWNRPACOA-UHFFFAOYSA-N 290.370 3.747 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(C)c2O)n1 436567487 SURUVGWJERUQQX-UHFFFAOYSA-N 258.321 3.604 30 20 CHED C=C(CNC(=O)C[C@H]1CC[C@H](C)C1)c1ccccc1 345747851 LSKDRAPJEFQHIK-ZFWWWQNUSA-N 257.377 3.642 30 20 CHED Cc1ccoc1C(=O)/C=C\c1c[nH]nc1C(C)(C)C 255318053 WVHGXCZGWIQOPF-WAYWQWQTSA-N 258.321 3.505 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2nc(OC)ccc2c1 439505383 NZEDZIHQZHAPNG-CYBMUJFWSA-N 299.374 3.720 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)cc1)CCC2 344695093 BTRVBBTXPZTFED-SFHVURJKSA-N 290.366 3.674 30 20 CHED CS[C@@H](CNc1ncc(C#N)cc1Cl)C(C)(C)C 343530941 POZLCXXNKNCMSP-NSHDSACASA-N 283.828 3.796 30 20 CHED N#Cc1ccccc1CN(CCc1ccc(F)cc1)C1CC1 609744325 AWRSIIWOWPKCSS-UHFFFAOYSA-N 294.373 3.904 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3cccc(F)c3)n2c1 255640148 SGBPDCRXEXTXIO-SREVYHEPSA-N 280.302 3.678 30 20 CHED Oc1ccc2ccccc2c1/C=N\[C@@H]1CCC[C@@H]2OCC[C@H]21 255894778 UHPAEMHBCVHNEL-LFQHNHNZSA-N 295.382 3.922 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1)c1cc(O)cc(O)c1 255113240 RNYUNKRSWPCKOX-UTCJRWHESA-N 274.703 3.647 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CCCN(CC)CC)CCCC1 449789218 FKTPIVTYXSDLAX-INIZCTEOSA-N 294.483 3.750 30 20 CHED Cc1cc2cc(/C=C\C(=O)c3cnccn3)oc2cc1C 255128893 UIINFMJLMVPWQO-ARJAWSKDSA-N 278.311 3.736 30 20 CHED CN(CC#Cc1ccc(F)cc1)C1CCCCCC1 448379476 YGZYSKOMLLNGLV-UHFFFAOYSA-N 259.368 3.832 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1cc(C)sc1C 448674705 HSLXVPQSFMLWJX-SNVBAGLBSA-N 251.395 3.754 30 20 CHED C=CCCCNC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 448029168 GFGNBNXGXWLORU-VXGBXAGGSA-N 292.345 3.621 30 20 CHED C[C@H]1c2ccc(F)cc2C[C@@H](C)N1CCCSCC#N 354827162 GNLNBFZSUDDDFZ-OLZOCXBDSA-N 292.423 3.780 30 20 CHED N#Cc1ccc(C=NNc2ccc3ccccc3n2)cc1 254292242 IBPAQJUFMRBBKD-UHFFFAOYSA-N 272.311 3.552 30 20 CHED C=CCC[C@H](NCc1ccnc(OC)c1)c1ccccc1 358104800 YXZFCLJIIFYLJS-KRWDZBQOSA-N 282.387 3.887 30 20 CHED C=CCCCc1nc(-c2nccc3ccccc23)no1 531366981 FOKCICBUJYZDSS-UHFFFAOYSA-N 265.316 3.794 30 20 CHED CC(C)(C)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(F)(F)F 442831465 WIAUWGFLMCZYDB-MXWKQRLJSA-N 262.319 3.635 30 20 CHED C=CCCC1(C(=O)Nc2ccc3oc(C)nc3c2)CC1 353904319 QBRBENMMVXINOJ-UHFFFAOYSA-N 270.332 3.821 30 20 CHED C=C[C@H](C)NC(=O)c1cccc2[nH]c(-c3cccs3)nc12 353845329 VZUQVYPSJKDVMR-JTQLQIEISA-N 297.383 3.596 30 20 CHED OCCCCCNc1cccc(C#Cc2ccccc2)c1 534948546 KRAXTBPSJCONHO-UHFFFAOYSA-N 279.383 3.661 30 20 CHED CC(C)[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 444758582 YSUOSOSCEPCWLC-WMLDXEAASA-N 256.393 3.987 30 20 CHED CCc1cccnc1NC(=O)C[C@@H](CC#N)c1ccccc1 359849439 CUZLNSAPCTXINF-MRXNPFEDSA-N 293.370 3.670 30 20 CHED CC1(C)Cc2cccc(NCc3cccc(C#N)c3)c2O1 530436685 YBXRXYXTCBBJHT-UHFFFAOYSA-N 278.355 3.884 30 20 CHED Cc1cccc(CCNc2c(Cl)cccc2C#N)n1 359822053 ZGWBSICSBOSJCQ-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CCCC1(C(=O)Nc2cc(C3CCCC3)nn2C)CC1 356736984 LEIBTBAKABRUIK-UHFFFAOYSA-N 287.407 3.763 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)C2(C#N)CCCC2)c1 264342397 FBHWTARHJRXDQZ-CQSZACIVSA-N 270.376 3.565 30 20 CHED C=CCCNc1cc(Cl)ccc1N1CCC(CO)CC1 268648660 VDJWUQKVWJKBSU-UHFFFAOYSA-N 294.826 3.537 30 20 CHED Cc1cc(C#N)ccc1CNC1(c2cccc(C#N)c2)CC1 614407418 QGBNXJVMZFSCEQ-UHFFFAOYSA-N 287.366 3.517 30 20 CHED C=CCC1(NC(=O)c2ccc(SC)o2)CCCC1 619107560 DZANOURDHQUHOG-UHFFFAOYSA-N 265.378 3.620 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C)CC1)c1ccc(C#N)c(F)c1 538508877 JSOGZBSYEKYJON-LALPHHSUSA-N 260.356 3.927 30 20 CHED Cc1cc(C)cc(N/C(N)=N\[C@@H]2c3ccccc3O[C@@H]2C)c1 262273874 JBJSHSSIXUTHQA-DYVFJYSZSA-N 295.386 3.552 30 20 CHED Cc1cc([C@@H](C)NCc2cc(C#N)cs2)ccc1F 449372355 GRPPRLPEFAPYAE-LLVKDONJSA-N 274.364 3.918 30 20 CHED C[C@H](CCc1ccccc1)CN1CCC[C@@](C)(C#N)C1 612406829 VCZHBYXAADOGSQ-AEFFLSMTSA-N 270.420 3.881 30 20 CHED CCCn1ccc2cc(NC(=O)[C@@]3(C#N)C[C@H]3C)ccc21 448840338 KBMDKDZFWOFFNZ-SJKOYZFVSA-N 281.359 3.540 30 20 CHED CC(C)c1cccc(N/C(N)=N/CC2CCSCC2)c1 267461497 VIQBIUIEMFAOOP-UHFFFAOYSA-N 291.464 3.680 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(Cl)cn2)ccc1Cl 538269149 UELBFQWGMKKTNW-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCN(Cc1ccoc1)c1nc(C(C)(C)C)ccc1C#N 613419757 RENABKPQYFIHDX-UHFFFAOYSA-N 283.375 3.870 30 20 CHED C=CC(C)(C)CN[C@@H](C)Cc1cc(OC)c(OC)cc1C 449486958 WLTZNWSZSLUJFK-AWEZNQCLSA-N 291.435 3.745 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(-n2cccn2)cc1 614392477 PRZAGZXAEVIAPP-UHFFFAOYSA-N 289.338 3.631 30 20 CHED N#Cc1ccc(C2=CCN(Cc3ccc(O)cc3)CC2)cc1 615506927 LMZSYGXATMEQLL-UHFFFAOYSA-N 290.366 3.553 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)cc2F)CCCC1 450515102 GMJSKXCQEKOOOX-UHFFFAOYSA-N 263.312 3.606 30 20 CHED Cc1ccc([C@H](C)NCC#Cc2ccc(F)cc2)cc1 539229655 SKKXKJRPCSKQBJ-HNNXBMFYSA-N 267.347 3.836 30 20 CHED Cc1cc(NC(=O)N(C)[C@H](C)CC#N)cc(C(F)(F)F)c1 617033431 LWCXHTFUJXPUGR-SNVBAGLBSA-N 299.296 3.780 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)c1cccc(OC)c1 452775768 PHDSQOYARODVPB-CYBMUJFWSA-N 275.392 3.517 30 20 CHED C=CCOCCCC(=O)NCc1csc2ccccc12 361539182 UQJFEZIYOMXNIU-UHFFFAOYSA-N 289.400 3.500 30 20 CHED N#C[C@@H](NC(=O)C1=CCCCCC1)c1ccc(Cl)cc1 275007614 QPWGIIVVLJEFDG-OAHLLOKOSA-N 288.778 3.911 30 20 CHED CC[C@@H](NCC[C@H]1CCCCO1)c1ccc(C#N)cc1 278871360 WZLFDIFKZNAQID-IAGOWNOFSA-N 272.392 3.558 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@@H]1c1cccs1 455363316 HGKFWDYFHSMARS-GFCCVEGCSA-N 278.421 3.807 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)[C@@H](C#N)CCc1ccccc1 457311909 ZEFOGUAFJZBROD-SUMDDJOVSA-N 298.430 3.844 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(SC)ccc1C 274301588 FSGBUBQOGFMCRS-UHFFFAOYSA-N 261.390 3.705 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(C)c(Cl)c2)no1 453190031 VESAPMSCULBMDL-YPMHNXCESA-N 290.750 3.757 30 20 CHED C=CCSc1ccccc1C(=O)N(C)Cc1ccncc1 362401750 JNNDUAPUTZZBDB-UHFFFAOYSA-N 298.411 3.632 30 20 CHED CC#CCCCC(=O)N(CCC#N)c1ccc(OCC)cc1 274479457 PCNFZDPUQYJELN-UHFFFAOYSA-N 298.386 3.526 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 623989765 HIEKZKWGCKQYFM-JKSUJKDBSA-N 257.377 3.523 30 20 CHED C=CCC[C@H](C)N[C@@H](CN(C)C)c1ccc(Cl)cc1 549611712 WPAYLOYXWAMHMO-BBRMVZONSA-N 280.843 3.887 30 20 CHED C=CCC[C@@H](C(=O)N1CCO[C@@H]2CCC[C@@H]21)c1ccccc1 628823405 YXZLMXVTPCPJFO-FGTMMUONSA-N 299.414 3.516 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](C)c1c(F)cccc1F 454305688 BKUDNWRXNBZFOU-JTQLQIEISA-N 282.334 3.537 30 20 CHED C=CCOCCN1CCC[C@@H]1Cc1ccccc1Cl 549367128 ZGCPFFXGHFAUHB-OAHLLOKOSA-N 279.811 3.550 30 20 CHED Cc1nc(N[C@@H](C)c2cncc(F)c2)c(Cl)cc1C#N 360051042 MEVKGAWFMTUADQ-VIFPVBQESA-N 290.729 3.622 30 20 CHED C[C@@H](Cc1ccsc1)N(CCC#N)Cc1ccco1 543058494 SLMUMUXJQAFPDB-ZDUSSCGKSA-N 274.389 3.688 30 20 CHED COc1ccc2cc(CNCC(C)(C)CC#N)ccc2c1 459699721 RNUZRFONDPSDNU-UHFFFAOYSA-N 282.387 3.878 30 20 CHED CC[C@H](NC1CCN(C(C)(C)C)CC1)c1ccc(C#N)cc1 278852040 VQRODPJVHFEVKJ-SFHVURJKSA-N 299.462 3.862 30 20 CHED Cc1ccc2sc(C(=O)N[C@@H](C#N)C(C)(C)C)cc2c1 464029750 MRZSAZKKAIRZOA-AWEZNQCLSA-N 286.400 3.878 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cnc2ccccc2c1)OCC 270008430 DRUARIVZVIXSBR-MRXNPFEDSA-N 284.359 3.545 30 20 CHED C=CCN(C(=O)NCC[C@H](C)c1ccccc1)C1CC1 271550721 MGSZBPVWCGHCLZ-AWEZNQCLSA-N 272.392 3.540 30 20 CHED C=CCC1(C(=O)Nc2cc(C#N)ccc2OC)CCCC1 460073243 GZEQLNUOBWNZNH-UHFFFAOYSA-N 284.359 3.642 30 20 CHED C=CCN(C(=O)c1cc2occc2s1)C(C)(C)C 622944470 UGKICVAUDWTFDY-UHFFFAOYSA-N 263.362 3.921 30 20 CHED CC[C@]1(CN[C@@H]2CCC[C@H](C#N)C2)OCCc2ccccc21 289926973 VGRNQFRGYIVAKE-KVSKMBFKSA-N 298.430 3.537 30 20 CHED COC(=O)c1ccc(CSc2ccc(C#N)cc2)s1 466729281 YKNAGYXIEJAIRY-UHFFFAOYSA-N 289.381 3.699 30 20 CHED CC(C)(C#N)CCCCN1CC(C)(C)[C@H]1[C@@H]1CCCO1 377648568 UZKOKWXREGJNGC-LSDHHAIUSA-N 278.440 3.596 30 20 CHED C#CCCCCNC(=O)N1CC(C)(C)[C@H]1c1cccs1 287815398 AQSFJIKSMREXMX-CQSZACIVSA-N 290.432 3.644 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1c(C)oc2ccccc12 467922249 VPGGVFOKNDLSEQ-QGZVFWFLSA-N 271.360 3.960 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(F)c(F)c2)n1 551490290 MVQIKFQFIPWKEL-UHFFFAOYSA-N 264.275 3.869 30 20 CHED C=C[C@H](C)NC(=O)NCC1(c2cccs2)CCCCC1 464748697 BQOBPTKXSXVUDR-ZDUSSCGKSA-N 292.448 3.824 30 20 CHED C[C@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(OCC#N)cc1 287493391 YASHPUNGMVRQRP-IINYFYTJSA-N 298.308 3.580 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@H]1CC(C)C 466395127 IVJFIAICIFULIY-GJZGRUSLSA-N 266.429 3.951 30 20 CHED N#CCN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 375111609 CJYWCQZGIRCBNT-CYBMUJFWSA-N 268.282 3.756 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1[N+](=O)[O-] 280018884 JRTRPRVXIBGZFB-VOTSOKGWSA-N 299.330 3.577 30 20 CHED C=CCCN(C)Cc1nc2cc(Br)ccc2o1 285221903 GOWKDRNZXZZYDA-UHFFFAOYSA-N 295.180 3.598 30 20 CHED C#CC[C@H](N[C@@H](C)c1cc(OC)ncc1F)c1ccccc1 287633377 KMXHFIFTQRFRQQ-GUYCJALGSA-N 298.361 3.645 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)[C@H](C)c1cccc(C#N)c1 461972010 NTGORHGMYDETIA-OLZOCXBDSA-N 298.411 3.943 30 20 CHED N#CC1(CCCSc2ccccc2O)CCOCC1 280865864 BDSFDSSOWDMBDF-UHFFFAOYSA-N 277.389 3.585 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccncc2CC)no1 289025370 LDBDMCPAQQQAGK-HNNXBMFYSA-N 257.337 3.548 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(C)c(OC)c2)no1 556276971 FKQDBAUYRGWUDH-UHFFFAOYSA-N 280.274 3.722 30 20 CHED CN(Cc1csc(-c2ccccc2)n1)CC(C)(C)C#N 552316944 UVXRCAVMUVEADW-UHFFFAOYSA-N 285.416 3.792 30 20 CHED CCCCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[C@@H](C)C1 294291412 RWJBFJDETYMYJL-HIFRSBDPSA-N 287.407 3.707 30 20 CHED C=C(C)CS[C@@H](C(=O)N(CC)CC)c1ccccc1 476997270 DLLCWSZEHPHMBJ-OAHLLOKOSA-N 277.433 3.905 30 20 CHED C=C(C)[C@H](N[C@H](C)C1CCOCC1)c1ccc(F)c(F)c1 474932744 UMCHLEZTZUYTJT-PXAZEXFGSA-N 295.373 3.987 30 20 CHED CC#CC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 801196029 JFOPYQDIZKWZAO-AWEZNQCLSA-N 297.423 3.706 30 20 CHED C=CCOCCCN(CCC)Cc1ccc(F)cc1 470723997 TYKOQTJIWSZZJS-UHFFFAOYSA-N 265.372 3.630 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2oc(C(C)C)nc2C)c1 292198198 IHPJCKJDZDMDCK-UHFFFAOYSA-N 296.370 3.754 30 20 CHED C[C@H](Cc1ccc(O)cc1)Nc1ccccc1O[C@H](C)C#N 293676471 QZNOTNVRYUOHSW-ZIAGYGMSSA-N 296.370 3.726 30 20 CHED C=CCCCCNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 471677122 NVNSPMOORBMIGU-VXGBXAGGSA-N 277.330 3.828 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 569638020 MMETZFLYCHGCPO-XQLPTFJDSA-N 251.414 3.524 30 20 CHED CCCCCC[C@@H](C)NC(=O)NCC(C)(C)CCC#N 806286256 XICUSFNPNMIVBP-CQSZACIVSA-N 281.444 3.974 30 20 CHED C=CCC[C@@H](NC(=O)NCC=C(C)C)c1ccccc1 479742028 HNKWJFXSVVTRBW-MRXNPFEDSA-N 272.392 3.959 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2ccccc2F)C1 293484716 SRWOBOLBGYPKJI-CYBMUJFWSA-N 275.367 3.744 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccsc2)cc1[N+](=O)[O-] 290595151 YDHOXDPDEQRADH-AWEZNQCLSA-N 299.355 3.869 30 20 CHED C#C[C@H](NC(=O)C[C@H](C=C)c1ccccc1)C(C)(C)C 807879505 CTTKASFYAUQPMI-HOCLYGCPSA-N 269.388 3.510 30 20 CHED C=CCN(C(=O)c1cn(CCCC)nc1C)c1ccccc1 647741922 QCILYSHFCRFVRY-UHFFFAOYSA-N 297.402 3.824 30 20 CHED C#CCOc1ccccc1-c1noc(C[C@@H]2C=CCCC2)n1 809395491 MFQIIABFMNNPNU-CQSZACIVSA-N 294.354 3.647 30 20 CHED N#CC1(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)CCCC1 562355891 IRTUZDCYLUSZCY-UHFFFAOYSA-N 296.370 3.692 30 20 CHED C=C(C)COC(=O)c1sc2cccc(F)c2c1COC 804673916 DRUVEWBZEHHMSC-UHFFFAOYSA-N 294.347 3.920 30 20 CHED C=CCOCCCSc1nnc(-c2ccccc2C)o1 475947828 PKYYQUQDRKDBLK-UHFFFAOYSA-N 290.388 3.730 30 20 CHED Cc1csc(NC(=O)C[C@H](C)CC(C)C)c1C#N 564191144 XMSUNOYIRWPICN-SNVBAGLBSA-N 264.394 3.939 30 20 CHED CC1CC(C#N)(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)C1 562743595 XJBAEUHQMIQCIL-WSIVYLHMSA-N 296.414 3.626 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@]12CCC[C@@H]1C2 569226869 VMYODBWHADBCMG-WBMJQRKESA-N 286.400 3.821 30 20 CHED CCC(C)(C)NC(=S)N(C)[C@H](C)c1cccc(C#N)c1 819028734 PLPCSTRHNYBWSZ-GFCCVEGCSA-N 289.448 3.614 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 488577793 XVXUHBWBRZLCQQ-IBGZPJMESA-N 298.430 3.642 30 20 CHED CC(=NOC/C=C/Cl)c1ccccc1OC(F)F 811671452 FVNWASWKIDNLND-HHNUDHMFSA-N 275.682 3.781 30 20 CHED C[C@H](C#N)CNN=C1CCCC[C@@H]1C1=CCCCC1 814881866 ZLIFTMPMJOBEDG-UKRRQHHQSA-N 259.397 3.782 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccc(C)cc1SC 815782234 FHNHCZOSZFCYRR-UHFFFAOYSA-N 285.359 3.545 30 20 CHED COc1cc(OC)c(C(C)=NOCCC2CC2)cc1Cl 814245589 YTRIBRQFFUZNJH-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C#C[C@H](CC)NC/C(C)=C/c1ccccc1OC(F)F 811505125 FKRWSDXXPHLNRM-IEZBTEQYSA-N 279.330 3.693 30 20 CHED CC(=NNc1cc(Cl)nc(Cl)c1)[C@H]1CCCOC1 819829025 YSASHDJHWGCOCT-VIFPVBQESA-N 288.178 3.603 30 20 CHED CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CC1(C)C 577484205 WHPJPGHAPDSODE-YLFCFFPRSA-N 296.414 3.603 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](OC(C)C)C2)CCCCC1 650324831 WYAIQADIXNXSRC-INIZCTEOSA-N 293.451 3.929 30 20 CHED CC#CCN(C)C(=O)/C=C(\C)c1ccccc1C(F)(F)F 819249078 CCGOADQUWGSMDE-VAWYXSNFSA-N 295.304 3.590 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(C)c(Cl)c1Cl 577030643 BXUCOKIWJJYNEJ-CYBMUJFWSA-N 285.174 3.724 30 20 CHED C#Cc1ccc(C(=O)N(C(C)C)[C@H](C)c2ccsc2)nc1 817485259 JJWNAHDDYUMFQQ-CYBMUJFWSA-N 298.411 3.736 30 20 CHED C[C@H](NN=C1CC(C)(C)Oc2ccccc21)c1ccncc1 819816213 HDUNSMFUAQUWGK-ZDUSSCGKSA-N 295.386 3.698 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCOc1ccccc1Cl 488845027 POCNSTWEEYGCGM-ZDUSSCGKSA-N 293.794 3.676 30 20 CHED CCCC[C@@H](CCC)OC(=O)c1ncc(C#N)cc1C 815341578 SBYHEZCTEAKQBF-CQSZACIVSA-N 274.364 3.777 30 20 CHED C=CC[C@H](CC)NCCC(=O)Nc1cccc(Cl)c1 577215980 CDFKFHVJEYCLEU-ZDUSSCGKSA-N 280.799 3.613 30 20 CHED C=CC1CCN(c2nnc(C3CCCC3)n2C2CC2)CC1 577524118 XEFBLFVLCTWQFN-UHFFFAOYSA-N 286.423 3.673 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 814887191 NBMQROGVWQRIBC-UHFFFAOYSA-N 292.285 3.800 30 20 CHED COc1ccc([C@H](CCC#N)N[C@H]2CCC[C@@H](F)C2)cc1 573801846 POBFANHGINJZGR-VYDXJSESSA-N 290.382 3.910 30 20 CHED CC(=NNCCCOc1ccccc1)c1cc(C)oc1C 729150119 SMSTZOSJFJGJBU-UHFFFAOYSA-N 286.375 3.679 30 20 CHED C=CCn1cccc1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 488949647 SXCXUYDYFBLDLG-DLBZAZTESA-N 294.398 3.740 30 20 CHED C=CCCCCCSCCC(=O)N1CCCCC1 485601577 OSWQKKGUBNZEEV-UHFFFAOYSA-N 269.454 3.869 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc([C@@H](C)CC)no1 489830880 YVSUZKXOMZPERA-NSHDSACASA-N 264.369 3.520 30 20 CHED C=CCC1(CN[C@@H](C)C[C@H]2CCOC2)CCCC1 825079461 UZLZZGPMGWPASZ-LSDHHAIUSA-N 251.414 3.528 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1cc2cccc(F)c2o1 573417798 GJDAPOLCRVJCDP-NEPJUHHUSA-N 285.322 3.666 30 20 CHED CC[C@H](CC#N)N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 576357420 ODTPCUWTCKNYPA-UKRRQHHQSA-N 298.390 3.696 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccnn1CCC 668626188 TVNUWHVQLUGBIQ-UHFFFAOYSA-N 289.423 3.502 30 20 CHED C=CCN(C)C(=O)c1sc(-c2ccccc2C)nc1C 491088611 XSBAUDSKUCVPTM-UHFFFAOYSA-N 286.400 3.685 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F 821009049 WNDKVUDLTWZUFB-BAQGIRSFSA-N 289.237 3.769 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2c(c1)CCC2 490014921 RQZCIRRJOOGQFI-UHFFFAOYSA-N 257.377 3.507 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 664333469 OSYDPZXGKPNKTM-NSHDSACASA-N 280.318 3.785 30 20 CHED C#Cc1ccc(C(=O)N(C2CCC(CC)CC2)C2CC2)cn1 728810895 NTXMNEDHRTYFBM-UHFFFAOYSA-N 296.414 3.636 30 20 CHED C[C@@H](NN=C1CCCOc2ccccc21)c1ccccc1 728430112 ZDPPGSBBKTYGPN-CQSZACIVSA-N 280.371 3.914 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C23CCC(CC2)C3)cc1 581691489 CCCKHECVWRKQKA-HQVVEAJESA-N 282.387 3.510 30 20 CHED C#C[C@@H](NCc1csc(C)n1)c1ccc(Cl)cc1F 491396668 ZFLVIGCLXXDYQD-CQSZACIVSA-N 294.782 3.708 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1cn(C)nc1C)C2=O 588489319 PVPCXUDFMXQAOC-NTEUORMPSA-N 280.371 3.558 30 20 CHED CCCCCCC[C@@H](C)N[C@@H]1CCCC[C@@H]1C(=O)O 901885227 NISGIEQIOPXVSR-QLFBSQMISA-N 269.429 3.968 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H]1c1cccc(F)c1 588301713 GRTDZKVGASAFGT-MRXNPFEDSA-N 288.366 3.963 30 20 CHED C=CCCCCNc1nc2cc(Cl)ccn2c1C#N 588020249 VCXCOYNPCKGZCW-UHFFFAOYSA-N 274.755 3.628 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2csc(C(=O)O)c2)c1 730149785 ZIXBMROKBRMKAG-ONEGZZNKSA-N 286.352 3.959 30 20 CHED N#Cc1cccc(-c2cc(-c3nc(C4CCC4)no3)on2)c1 589090403 WEVOLPNDAHJJQC-UHFFFAOYSA-N 292.298 3.531 30 20 CHED C[C@@]1(C(=O)OCc2ccc(CC#N)cc2)CC=CCC1 835272714 CPJJUXQVEQANDY-QGZVFWFLSA-N 269.344 3.542 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C(=O)O)c1cccc(Cl)c1 833373970 LXRAJRZZYACJQQ-BXUZGUMPSA-N 281.783 3.800 30 20 CHED CC(Cc1ccccn1)=NNc1cc(C)ccc1C 834929193 KCWPLNJODCYYCU-UHFFFAOYSA-N 253.349 3.729 30 20 CHED C=CCC1(NCCC(=O)Nc2ccccc2F)CCCC1 661849631 XVFBARJBTAASAC-UHFFFAOYSA-N 290.382 3.633 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)c(OC)c(Cl)c1 834887006 CBFOUANBXMFDRK-DFBGVHRSSA-N 295.810 3.651 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1cncc(C)c1 588476687 YEMFVXKYHUWQBP-HJWRWDBZSA-N 267.328 3.685 30 20 CHED CC1(C)CCc2ccccc2[C@H](Nc2cc(C#N)ncn2)C1 580136986 YAVPACDSZRXRSD-MRXNPFEDSA-N 292.386 3.864 30 20 CHED C[C@H](C=NOC/C=C\Cl)c1cc(F)cc(F)c1 834978524 HPVXCNALEDKNLE-RFCPGERCSA-N 259.683 3.823 30 20 CHED C[C@@H]1CC(=NNc2nc(-c3ccccc3)cs2)[C@@H](C)O1 834935916 RLNHUHBTUCZLCV-GHMZBOCLSA-N 287.388 3.775 30 20 CHED C[C@H](CNC(=O)CCCCCC#N)Cc1cccs1 588159392 URTDTMAIYRXXHQ-ZDUSSCGKSA-N 278.421 3.517 30 20 CHED CC(C)COc1ccccc1/C=C1\CCn2ccnc2C1=O 901537130 SLNFZSWOZMNDLR-RVDMUPIBSA-N 296.370 3.588 30 20 CHED COCC[C@H]1CCCC1=NNc1cc(F)ccc1F 901321132 ULJGAAWQDAPZJX-SNVBAGLBSA-N 268.307 3.569 30 20 CHED C=CCN(C(=O)CCc1ccc(C)c(Cl)c1)C1CC1 678496553 UVUYGBPQJFOOIM-UHFFFAOYSA-N 277.795 3.758 30 20 CHED CC(C)(C)C#CC(=O)NC1(Cc2cccc(Cl)c2)CC1 837689998 FBXLYSRWGYTOHD-UHFFFAOYSA-N 289.806 3.581 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ccc[nH]1 918381457 YLQRMLNDFYDSBZ-CYBMUJFWSA-N 250.386 3.741 30 20 CHED CC(=NNC(=S)Nc1c(C)cccc1C)c1ccco1 915911977 LJFMRCPTRHJCNV-UHFFFAOYSA-N 287.388 3.607 30 20 CHED C[C@@H](C#N)N(C(=O)c1coc2ccc(Cl)cc12)C1CC1 598137256 NAWSENAAIFJBRL-VIFPVBQESA-N 288.734 3.603 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C 592578461 MPWHDGNPVWYBKT-JKSUJKDBSA-N 284.403 3.589 30 20 CHED C=CCCSCCNC(=O)C12CC3CC(CC(C3)C1)C2 597970900 OMOQHGSVVWMIKN-UHFFFAOYSA-N 293.476 3.628 30 20 CHED N#Cc1cc(-c2ccc(C[C@H](O)C3CC3)cc2)ccc1F 593955073 XLDIZVBLMMLHPU-SFHVURJKSA-N 281.330 3.678 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2)C12CCCC2 743418843 LTPVOYJQJYITTQ-OAHLLOKOSA-N 258.365 3.824 30 20 CHED C#CCCCNC(=O)C1(c2cccc(C)c2)CCCCC1 742788938 FLRVZVIXRDEVGP-UHFFFAOYSA-N 283.415 3.727 30 20 CHED CC[C@@H](/N=C/c1cccc(O)c1O)c1cc(F)ccc1F 740763336 HFBKAJDIQCNEPG-MRGVZLDZSA-N 291.297 3.946 30 20 CHED CC(=NNC(=S)NC(C)(C)C)c1cc(C)c(C)cc1C 916344357 SMCZSEJLWXMXIA-UHFFFAOYSA-N 291.464 3.598 30 20 CHED C[C@H]1CN([C@H](C)c2ccc(C#N)cc2)C[C@H](C)C1(F)F 599057505 FNWFNCMAXZVDPX-RWMBFGLXSA-N 278.346 3.842 30 20 CHED CCOc1cccc(/C=N/CC(C)(C)c2ccccn2)c1O 840704822 BACAXIKPYLBPCQ-XDHOZWIPSA-N 298.386 3.583 30 20 CHED CCN(C(=O)c1cc2cc(C)ccc2s1)[C@H](C)C#N 598362486 FVVZGWFJLHWDHG-LLVKDONJSA-N 272.373 3.584 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl 593557461 BZSNLURJDLLDHB-NXEZZACHSA-N 299.201 3.590 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNC1CCC(C)(C)CC1 1776098120 XSHGLDKIBOGPJI-UHFFFAOYSA-N 280.412 3.566 30 20 CHED CC[C@H](C#N)C(=O)Nc1ncc(C2CCCCC2)s1 593597620 BKVMHJICGSTENU-SNVBAGLBSA-N 277.393 3.679 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCc2ccc(C)cc21 592550227 PWNCNESNUHRDJF-MRXNPFEDSA-N 272.392 3.590 30 20 CHED CC(C)c1cccc(-c2ccc(C(=O)N3CC(C#N)C3)o2)c1 590484332 ZBADWNAOPJDMTQ-UHFFFAOYSA-N 294.354 3.666 30 20 CHED CC(C)C(C=NNc1ncc(Br)cn1)C(C)C 848420024 MYULLZTUQWUKLY-UHFFFAOYSA-N 299.216 3.565 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N[C@H](C)[C@@H]1CCOC1 743544638 XWIRNCKMWUDWPD-ARFHVFGLSA-N 298.471 3.707 30 20 CHED CCCCCCCCN[C@H](C)c1cc2n(n1)CCC2 840725929 QSFXGBFETKJOOP-CQSZACIVSA-N 263.429 3.840 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(F)nc1F 844679659 BNISIHJGBZQCIH-UHFFFAOYSA-N 283.322 3.618 30 20 CHED C[C@@H]1CC[C@H](C/N=C/c2c(O)ccc3ccccc23)O1 840710775 SAICPYMPXGJODV-TWRDMTQSSA-N 269.344 3.532 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)OC1(CC#N)CCC1 842354055 VGIYBPRHEIHWNX-AWEZNQCLSA-N 289.400 3.937 30 20 CHED C#CC(C)(C)NC(=O)/C=C(/CC)c1cccc(Cl)c1 744510084 CHSZWNODYDINBX-QXMHVHEDSA-N 275.779 3.661 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2ccn(C(F)F)c2c1 598062326 VMYOBUBBHVWUCB-HNNXBMFYSA-N 291.301 3.915 30 20 CHED N#Cc1ccccc1/C=C\C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 915733506 GHJCWEYQKYRJLX-GMVDGGJDSA-N 294.398 3.514 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)CC2(C#N)CCCCC2)C1 596759981 RBLYLGIAVIKJDY-LSDHHAIUSA-N 276.424 3.888 30 20 CHED CCc1ccc(C(C)=NNc2cncc(Cl)n2)cc1 914557289 PIMQBHKDYBODSS-UHFFFAOYSA-N 274.755 3.529 30 20 CHED C#C[C@@H](OC(=O)c1cnn(CCCC)c1C)c1ccccc1 842390803 CDAKSOQEQPBDQA-QGZVFWFLSA-N 296.370 3.523 30 20 CHED C#CCNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 742486611 UYXCVKPETLHEOB-UHFFFAOYSA-N 281.355 3.607 30 20 CHED CC[C@@H](C)NN=Cc1cn(-c2ccccc2Cl)nc1C 848409576 ZAORRGXXWUKCMG-LLVKDONJSA-N 290.798 3.556 30 20 CHED Cc1ccc(C#N)nc1N1CCC(n2c(C)ccc2C)CC1 590575749 SHVITVVKBSPEHY-UHFFFAOYSA-N 294.402 3.522 30 20 CHED N#Cc1cccc(-c2cccc(CO[C@@H]3CCOC3)c2)c1 592989805 ZXQHUAKAVATLAI-GOSISDBHSA-N 279.339 3.531 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccsc1 743451223 BAKAYKBBFDGHBU-UHFFFAOYSA-N 251.742 3.633 30 20 CHED Cc1ccc(C)c(C=NNc2oc(C(C)(C)C)nc2C#N)c1 746497180 BDDZXKIBFFQETO-UHFFFAOYSA-N 296.374 3.907 30 20 CHED CC[C@@H]1CCCCC1=NNc1ccc(CC(=O)O)cc1 848414117 JLVYVWQDSSUPSZ-CYBMUJFWSA-N 274.364 3.682 30 20 CHED C(=NNc1nncc2ccccc12)C1CCCCCC1 741838680 YVHIEZCHBIRKCN-UHFFFAOYSA-N 268.364 3.998 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 845642414 QVVKJQBMZPLOTG-KBPBESRZSA-N 290.407 3.548 30 20 CHED CC(C)C[C@H](C(=O)O[C@H](C)C#N)c1ccc(Cl)cc1 849871122 MRJFMIUKPARFTD-RISCZKNCSA-N 279.767 3.925 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCc2ccccc2C1 683835631 YDOBRDZBKJUJGK-QAPCUYQASA-N 298.430 3.542 30 20 CHED C[C@H](COC(=O)[C@@H](C)Cc1ccc(C#N)cc1)CC(F)F 847733030 WIMLOIGFZKYYFK-RYUDHWBXSA-N 295.329 3.571 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cc(Cl)nc(C2CC2)c1 847678300 NKCLEWDXRQDTNI-GFCCVEGCSA-N 292.766 3.707 30 20 CHED CC1=C(C)C[C@H](C(=O)Oc2cccc(OCC#N)c2)CC1 842822089 IYWPEENVQPTRSF-CQSZACIVSA-N 285.343 3.631 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1cncc(F)c1 740765865 YKBXDMKIJHAJKP-WAYWQWQTSA-N 278.286 3.665 30 20 CHED C#CCOc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 743269497 CWXBJEZWEMUSPB-UHFFFAOYSA-N 294.285 3.555 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H]1C 841223102 GAEMADKAFDTEPM-HLTSFMKQSA-N 297.811 3.679 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCc1c(Cl)cccc1Cl 594083534 KFRJBMAUOZLFMR-SNVBAGLBSA-N 299.201 3.687 30 20 CHED C[C@H](CCc1ccccc1)N=c1[nH]c(C#N)c(Cl)s1 590568655 ACQLCGMEFKSNIZ-SNVBAGLBSA-N 291.807 3.523 30 20 CHED C#CCCCCC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 843664089 FDHKDZJKQPEXOE-HNNXBMFYSA-N 295.386 3.625 30 20 CHED C=C(C)CCOC(=O)Cc1ccccc1Br 744307529 WXIXVXYVZZBYBP-UHFFFAOYSA-N 283.165 3.501 30 20 CHED COc1ccc(C/N=C\c2cc(Cl)ccc2O)cc1 920942561 KHYKONBMATWTCQ-YVLHZVERSA-N 275.735 3.673 30 20 CHED COC(=O)Nc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 925757151 DDWPJZTVPBYHPQ-NSHDSACASA-N 275.352 3.605 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCN([C@H](C)c2ccccc2)C1 924962384 DTJGQVRSQITJAC-NUJGCVRESA-N 299.462 3.740 30 20 CHED C#Cc1cccnc1NC[C@H]1CCCCC(F)(F)C1 853642523 HZLYYQUSROIOTG-LBPRGKRZSA-N 264.319 3.690 30 20 CHED C#C[C@H](CC)NC(=O)N(C)Cc1c(CC)oc2ccccc12 753266265 ZWROZMPPSPKEQW-CYBMUJFWSA-N 298.386 3.548 30 20 CHED C[C@@H](Cc1ccsc1)OC(=O)CCCCCC#N 851148445 GCUFAASAQIBALW-LBPRGKRZSA-N 265.378 3.696 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](CC)c1ccc(Br)cc1 859999243 MHAJKTODQFZIEE-MFKMUULPSA-N 296.208 3.633 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCc1coc(C(C)(C)C)n1 924390331 BKQGGZZCUUJJLS-UHFFFAOYSA-N 298.342 3.509 30 20 CHED C=CCC[C@@H](NCc1ccc(N(C)C(C)=O)cc1)C1CC1 858496938 WNETYAFXRADSBP-GOSISDBHSA-N 286.419 3.504 30 20 CHED Cc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)c(O)c1 756855113 CPNREPJGBOUNPO-AWEZNQCLSA-N 292.382 3.912 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1nc(Br)ccc1F 925433589 ZFCLGHCQOYLOMY-IUCAKERBSA-N 287.176 3.598 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)C/C(C)=C\c1ccccc1 755279698 LYHNBVNDEQRNJR-REZBVGGZSA-N 284.403 3.533 30 20 CHED CC(=Nn1cnnc1)[C@@H](C)c1ccc(CC(C)C)cc1 853253818 FMABKNVSSZWNTD-CYBMUJFWSA-N 270.380 3.504 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(N)cc1C 758120258 LQXAQZVXQLKCDH-UHFFFAOYSA-N 281.403 3.524 30 20 CHED CC[C@H](C#N)OC(=O)/C=C/c1ccc2cc(OC)ccc2c1 753422926 YEEABKWGOFJJDR-DXWDOBMASA-N 295.338 3.707 30 20 CHED C[C@H]1CCC[C@H](CC(=O)OCc2ccc(C#N)cc2)C1 750244972 XPUSXRSACQUCSX-BBRMVZONSA-N 271.360 3.818 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(F)c(C#N)c2)C1 758951477 POQVVHNBINKFSQ-DGCLKSJQSA-N 275.323 3.567 30 20 CHED C#CCOc1ccccc1CNC(=O)C(C)(C)C1CCCC1 757000940 APTXQJVKBQKTAX-UHFFFAOYSA-N 299.414 3.531 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC23CCC(CC2)C3)cc1 756990901 VKUDTRTWRAWATP-SYJJWHGVSA-N 284.403 3.647 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1ccc(Cl)cc1 756837601 BHMIVYQBTWBEJI-UHFFFAOYSA-N 280.158 3.646 30 20 CHED CC[C@H](c1ccccc1)N(CCO[C@@H](C)C#N)C(C)C 852690588 KJTLNNXQQPIOIE-DOTOQJQBSA-N 274.408 3.777 30 20 CHED COc1cccc(/C=C2\Cc3c(F)cc(F)cc3C2=O)c1 751534889 FWOAVBGNCMFDMU-VZUCSPMQSA-N 286.277 3.796 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 753414459 ZNXGSJICJUSSIH-AAEUAGOBSA-N 296.370 3.752 30 20 CHED O=C1/C(=C/c2cccc3c2CCC3)CCc2scnc21 863197933 IRWRTTDAIJPTPI-UKTHLTGXSA-N 281.380 3.844 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1c1ccccc1OC 931797654 YJUCAAGMWKMRTO-GOEBONIOSA-N 287.403 3.961 30 20 CHED Cc1cc(CN(C)Cc2ccc(C#N)cc2)cnc1Cl 768262166 HGSCRZHPZREGCW-UHFFFAOYSA-N 285.778 3.547 30 20 CHED C#CCCCCCOC(=O)Cc1c[nH]c2cccc(C)c12 760276521 NEJIVGWHTJQALM-UHFFFAOYSA-N 283.371 3.756 30 20 CHED C#CCN(C(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C1CC1 763800288 OYTOTDXOPWGHQT-ZDUSSCGKSA-N 289.806 3.533 30 20 CHED CC1(C)CCCC(=NNc2cnc3ccccc3n2)C1 767782761 NDMZIDWBUQRLOA-UHFFFAOYSA-N 268.364 3.998 30 20 CHED Cc1cc(C)c2c(c1)C(=NNc1ccccn1)CCCO2 763131191 UFWPVJVDSCGRIT-UHFFFAOYSA-N 281.359 3.687 30 20 CHED C[C@@H](C#N)COC(=O)c1cc(C(F)(F)F)ccc1Cl 860615401 TYHIQJIPQWFQRH-ZETCQYMHSA-N 291.656 3.675 30 20 CHED CC(C)c1ccc(CC=NNc2nccnc2Cl)cc1 760249297 NLFQLMPIIOJURT-UHFFFAOYSA-N 288.782 3.894 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)/C=C/c1ccc2[nH]ccc2c1 765629764 FBTNBPZDBQKACJ-ZKKXHLJNSA-N 282.343 3.663 30 20 CHED CC(C)(C)SCCCC(=O)N1CCCC(C)(C)[C@H]1C#N 765170205 MZENIQQQMSFELL-CYBMUJFWSA-N 296.480 3.839 30 20 CHED C#CCCc1noc(CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 762012165 VEQQSNGGEFAVCD-RBSFLKMASA-N 290.407 3.613 30 20 CHED Fc1ccc(CC=NNc2nccnc2Cl)c(Cl)c1 766450531 MEPHZTIDKBDNMH-UHFFFAOYSA-N 299.136 3.563 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccc(Cl)o1 769145085 AIOYYBGGWLFMTR-UHFFFAOYSA-N 277.726 3.708 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 767071554 KFTASIXQEWBDGE-SFHVURJKSA-N 297.442 3.826 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)C#N)c(Sc2ccccc2)n1 768146395 MLYUMGHYHTXNMJ-LBPRGKRZSA-N 298.367 3.610 30 20 CHED Cc1cccc(NN=C2C[C@@H](C)c3ccccc32)n1 863160236 WCWRIFPKMRARSD-LLVKDONJSA-N 251.333 3.713 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C(=O)O)s2)ccc1C#N 766491410 OSRQEFCFILDNTD-HWKANZROSA-N 297.335 3.523 30 20 CHED C=C1CCN(Cc2ccc(CSC(F)F)o2)CC1 769338655 NAKVDFCTGVPXBC-UHFFFAOYSA-N 273.348 3.887 30 20 CHED CC(=NNC1CCCC1)[C@H](C)Cc1ccccc1[N+](=O)[O-] 761257924 CTTMPPNKGJSKJR-GFCCVEGCSA-N 289.379 3.682 30 20 CHED CCC1CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 877976200 UCQRZOXLWCCWEL-IBGZPJMESA-N 298.430 3.549 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2ccc3c(c2)CCC3)c1 1116132164 VQJGZKROOREGCE-NTMALXAHSA-N 273.335 3.943 30 20 CHED C#CCCCCCC(=O)O[C@H]1COc2cc(Cl)ccc21 774524971 DFQPREGUYCRRDM-HNNXBMFYSA-N 292.762 3.900 30 20 CHED Cc1c(C)c(C)c(C(=O)OCC2(C#N)CC2)c(C)c1C 775842967 PNHDDUPAOFIDOC-UHFFFAOYSA-N 271.360 3.689 30 20 CHED CC(C)(C)C[C@@H](NC(=O)C#Cc1ccccc1)C(F)(F)F 778129247 FKLSXPMCWPPOKG-CYBMUJFWSA-N 297.320 3.521 30 20 CHED CCOc1ccccc1C(C)=NOCCC(F)(F)F 777459285 HQXQOMDACSWWMR-UHFFFAOYSA-N 275.270 3.778 30 20 CHED CC(C)(C)C[C@H](NC(=O)C#Cc1ccccc1)C(F)(F)F 778129250 FKLSXPMCWPPOKG-ZDUSSCGKSA-N 297.320 3.521 30 20 CHED CSc1ccccc1C(C)=NN[C@@H](C)c1ccncc1 1118096344 MZSBYFFOCNQGTC-LBPRGKRZSA-N 285.416 3.878 30 20 CHED Cc1ccc(C=NOC2CCCCC2)cc1[N+](=O)[O-] 777459656 TZKVAJGOMFZNDT-UHFFFAOYSA-N 262.309 3.586 30 20 CHED Cc1ncsc1/C=C/C(=O)O[C@H](C)c1cccc(C#N)c1 777306567 GPKLGKDDUMVASH-NNNHXZLVSA-N 298.367 3.641 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 878417857 GSSNTUPCTWELQW-GDBMZVCRSA-N 287.403 3.577 30 20 CHED Cc1ccc(/C=C2/Oc3cc(F)ccc3C2=O)s1 773172306 MIUUZUDHKGQAKD-NTUHNPAUSA-N 260.289 3.812 30 20 CHED Cc1ccccc1[C@@H](CO)N(C)CCCCC(C)(C)C#N 886438595 CQYYDRYIGSOZCA-QGZVFWFLSA-N 288.435 3.680 30 20 CHED Cc1ccc(CCC=NNc2ccc(F)cc2F)cn1 774308806 CAYJMNKXFLAPLM-UHFFFAOYSA-N 275.302 3.699 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCc2ccc(F)cc2)c1 1129686423 VWDAHYYNBYZMIT-UHFFFAOYSA-N 282.318 3.577 30 20 CHED Cc1ccc(-c2n[nH]cc2C=NOCCC(F)(F)F)cc1 777461140 VPGIFDYYUWXHCS-UHFFFAOYSA-N 297.280 3.688 30 20 CHED O=C(/C=C\c1cc(F)cc(Cl)c1)c1ccncc1 776722035 MMNJQAAGIIRZFV-UPHRSURJSA-N 261.683 3.770 30 20 CHED C=CCN(C(=O)c1cnc(C)c(Cl)c1Cl)C(C)C 775480222 JJZCOBGHDLPKEE-UHFFFAOYSA-N 287.190 3.733 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCCc3occc32)CC1 888901285 FHNNHFXZHZUGHF-CQSZACIVSA-N 259.349 3.520 30 20 CHED O=C(/C=C\c1ccc(-n2cccn2)cc1)c1cccs1 884003381 PCMLQGXULUKCAC-TWGQIWQCSA-N 280.352 3.830 30 20 CHED Cc1cc(O)c(CN2CCC(CC#N)CC2)cc1C(C)C 781570690 AGWUGCDKZLPESM-UHFFFAOYSA-N 286.419 3.950 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc2c(F)cccc2[nH]1 782859573 YNMNQFKFPQITIP-UHFFFAOYSA-N 288.322 3.794 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc([N+](=O)[O-])s2)c1 782228778 MMONRIAJKAXWMB-UHFFFAOYSA-N 279.296 3.550 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2ccccc2)c(Cl)c1 783820423 HDRJNBSSHORPQU-UHFFFAOYSA-N 290.706 3.799 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C\c1scnc1C1CC1)O2 782331657 WYTFLZOJRWNBOA-WUXMJOGZSA-N 299.351 3.651 30 20 CHED Clc1cncnc1NN=C1CC[C@@H]2CCCC[C@@H]2C1 780282864 JMYQYZBZJKFCKA-WDEREUQCSA-N 278.787 3.888 30 20 CHED C=C1CCN(C(=O)NCC[C@@H](C)c2ccccc2)CC1 892594416 KXHPBWVHLKXHFA-OAHLLOKOSA-N 272.392 3.542 30 20 CHED C=CCCN(C)C(=O)/C=C\c1ccccc1O[C@H](C)CC 786669924 JPVOQSPSDORKOL-WIDZWVOGSA-N 287.403 3.912 30 20 CHED N#Cc1cccc(NN=Cc2ccc3cnccc3c2)c1 782185570 FZNUNRGFLQQHAC-UHFFFAOYSA-N 272.311 3.552 30 20 CHED C#CCOc1cccc(Cl)c1C=NNC1CCCCC1 786043621 PNVRDLRTAINMST-UHFFFAOYSA-N 290.794 3.608 30 20 CHED Cc1ccc(NC(=S)N2CCC[C@@](C)(C#N)C2)cc1C 783772023 AIGWISKAIYLCCM-INIZCTEOSA-N 287.432 3.626 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)NCCC1CC1 782971351 MAHOZQVGQRUPMR-UHFFFAOYSA-N 288.391 3.506 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1cc(F)ccc1F 899342877 IIKPIWKQRVUVTP-DAXSKMNVSA-N 288.297 3.782 30 20 CHED C#CCN(C)C(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 790967886 ARVBNCNWYINECU-UHFFFAOYSA-N 295.357 3.815 30 20 CHED COc1cccc(/C=N/CCc2ccc3[nH]ccc3c2)c1O 799743067 UJICVGNVGLJNKZ-XDHOZWIPSA-N 294.354 3.544 30 20 CHED Cn1cnc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 798232264 PTPHUWHRHRKJPX-MDZDMXLPSA-N 268.360 3.614 30 20 CHED Cc1ncsc1C=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 794540799 DRQOFOGKPMXFFY-UXIGCNINSA-N 277.437 3.590 30 20 CHED CSc1ccccc1[C@@H](C)OC(=O)c1ccc(C#N)o1 797244796 XSDZYGZXRHKKKM-SNVBAGLBSA-N 287.340 3.791 30 20 CHED CC(=NNc1ccccc1OC(F)(F)F)c1cnoc1C 799485425 SHIORCVRWKKGON-UHFFFAOYSA-N 299.252 3.718 30 20 CHED C[C@H]1CSCC1=NNc1ncc(Cl)cc1Cl 794873499 RFRIIKQWNNBTCT-LURJTMIESA-N 276.192 3.539 30 20 CHED N#Cc1ccc(CNCc2cccc(Cl)c2)cc1 37488174 VKAAQENJQYLMHG-UHFFFAOYSA-N 256.736 3.501 30 20 CHED C=C(Br)COC(=O)[C@@](C)(CC)CCC 796325296 AKDZEWFOURRNRR-NSHDSACASA-N 263.175 3.655 30 20 CHED Cn1nccc1[C@H]1CCCC(=NN[C@@H]2CCCC2(C)C)C1 790298608 MZSXABAVSKRDJU-XJKSGUPXSA-N 288.439 3.602 30 20 CHED C[C@H](NN=C1CCC[C@H](c2ccnn2C)C1)c1ccccc1 790286810 GEBOTPIXOCFZFW-HOCLYGCPSA-N 296.418 3.785 30 20 CHED Clc1cccc(NN=Cc2ccc(Cl)s2)n1 793174130 IREKFFXQNZCCNC-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CC(C)N(C)c1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1F 799721851 YKJCUSKIPNIZMD-QWHCGFSZSA-N 275.371 3.774 30 20 CHED N#Cc1cccc(CNC(=O)Nc2ccc3occc3c2)c1 1219807968 XRMMBYQCGAQTHP-UHFFFAOYSA-N 291.310 3.626 30 20 CHED CCc1ccc(NC(=O)c2ccccc2CC#N)cc1 58248219 IMNMSNGQIWQJDA-UHFFFAOYSA-N 264.328 3.567 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)C1CCSCC1 1321495327 QMJCQFKDZOHQKO-LBPRGKRZSA-N 276.405 3.533 30 20 CHED N#CC1(c2ccc(-c3ccccc3)cc2)CCOCC1 41356639 AGQCUKJPIAOQOF-UHFFFAOYSA-N 263.340 3.925 30 20 CHED N#CCCC1CCN(CCCOCc2ccccc2)CC1 399292431 BLHOAWFMUSIVSG-UHFFFAOYSA-N 286.419 3.609 30 20 CHED N#C[C@H]1CCCN(Cc2cccc3ccccc23)C1 79829840 BMMTTWQJOWSXAF-CQSZACIVSA-N 250.345 3.575 30 20 CHED CC[C@H]1CCN(c2ncc(Cl)c(C)c2C#N)[C@@H]1C 1186185069 RQIIBEVSZIEEKH-MNOVXSKESA-N 263.772 3.540 30 20 CHED N#CCOc1ccc(N[C@H]2CCCOc3ccccc32)cc1 1320670426 UIOXAKYZNGXPPM-KRWDZBQOSA-N 294.354 3.915 30 20 CHED CC(=NOC(C)(C)C)c1c(Cl)nc2ccccn12 1323133658 XXXZTJPPGGHNOO-UHFFFAOYSA-N 265.744 3.527 30 20 CHED N#Cc1ccc(CC(=O)Nc2cccc(Cl)c2F)cc1 70158608 DNRSBZKSDSHSMP-UHFFFAOYSA-N 288.709 3.532 30 20 CHED N#Cc1ccc(COC(=O)[C@@H](F)CC2CCCCC2)s1 1332985631 QGVRWQRJJPHAGG-AWEZNQCLSA-N 295.379 3.971 30 20 CHED C=CCN(C)C(=O)CC1c2ccccc2Oc2ccccc21 1338402492 CIIVJWBFXXWKOV-UHFFFAOYSA-N 293.366 3.959 30 20 CHED C[C@H]1CC[C@H](C(=O)N(c2ccccc2C#N)C2CCC2)C1 1331467547 AIIUHBRPVYVONL-KBPBESRZSA-N 282.387 3.880 30 20 CHED Cc1cccc(OCc2nnc(-c3ccc(C#N)s3)o2)c1 1261567687 UWKOZFZFPFTSQM-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CCN(Cc1cccc(Cl)c1)c1cccc(CC#N)n1 1342840615 FQBZQNIZEBYVEJ-UHFFFAOYSA-N 285.778 3.828 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2cc(C#N)ccc2F)c1 1356035622 XPWZOXRWHWSFCO-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCN(C(=O)Cc1cccc(C#N)c1)c1ccc(C)cc1C 1351220447 JDNVOIXTORUPCF-UHFFFAOYSA-N 292.382 3.771 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N(C)c1ccc(C)cc1 1286629938 OKQIQKDFZGVUAS-UHFFFAOYSA-N 290.798 3.669 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)CC1CC1)c1cccs1 1515589498 NQZIVSXYRAKQCM-FZMZJTMJSA-N 263.362 3.682 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ncc(Cl)cc2Cl)C1 1518247035 BGEURTHMSJRVNJ-SCZZXKLOSA-N 299.157 3.628 30 20 CHED Cc1cc(C(=O)Nc2cc(F)cc(C#N)c2)c(C)n1C(C)C 1454719717 RVYOOFGIPBTCCO-UHFFFAOYSA-N 299.349 3.949 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C)cc1 1520123327 GVQOBILODMKOMX-HNNXBMFYSA-N 258.365 3.958 30 20 CHED CC(C)c1ccccc1C(=O)Nc1ccc(OCC#N)cc1 1523293209 VHKGMNPSQJGYKL-UHFFFAOYSA-N 294.354 3.965 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/C=C\c2ccc(F)cc2)cc1 1602317116 YQFFUVABGSVJRY-HSFFGMMNSA-N 296.297 3.976 30 20 CHED C=C(Cl)CN1CCC[C@@H](c2nc3c(s2)CCC3)C1 1460798044 ZMNXYIDQNYCXLM-LLVKDONJSA-N 282.840 3.564 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OC)c(C#N)c1 1532696284 IOAIWRJBARYOJS-WFASDCNBSA-N 286.375 3.722 30 20 CHED CC1(C)CCc2ccccc2[C@@H](Nc2cncc(C#N)n2)C1 1612291739 SCGOJKOOMLKWQA-INIZCTEOSA-N 292.386 3.864 30 20 CHED Cc1ccc(C(C)(C)C(=O)Nc2cc(F)cc(C#N)c2)cc1 1544396764 GSHZAYOCMOLKOZ-UHFFFAOYSA-N 296.345 3.922 30 20 CHED Cc1cc(C)c2nc(N(C)C[C@@H](C)C#N)sc2c1 1611797885 KZBMDWCOIPOGGO-JTQLQIEISA-N 259.378 3.509 30 20 CHED Cc1c(NCc2ccc(C#N)c(F)c2)cccc1N(C)C 1621200134 BLJVXRZVMWJELL-UHFFFAOYSA-N 283.350 3.684 30 20 CHED N#Cc1cccc(C2(NCc3ccc4[nH]ccc4c3)CC2)c1 1620933337 NYUORWKPRMYAAX-UHFFFAOYSA-N 287.366 3.818 30 20 CHED CCN(Cc1ccc(F)c2ccccc12)C[C@H](C)C#N 1621183686 OKGKSAILPQHVJG-CYBMUJFWSA-N 270.351 3.960 30 20 CHED CC[C@H](C)Oc1cccc(N[C@@H](C)CC(C)(C)C#N)n1 1621490076 SGOVRFPOIIWZAH-STQMWFEESA-N 275.396 3.999 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(Cc3cccc(C#N)n3)C2)cc1 1560793531 RBJIDBQHDGSYSE-WBVHZDCISA-N 291.398 3.640 30 20 CHED CC1(C)c2ccccc2CCN1Cc1ccc(C#N)s1 1643534767 QLQHYPZZQUSLGD-UHFFFAOYSA-N 282.412 3.913 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H](CC(C)C)C1 1644940202 SWDXECLPNPCIFA-MRXNPFEDSA-N 286.419 3.825 30 20 CHED N#Cc1ccc(SCc2ccc(C#N)cc2F)cc1 1640866639 PZTIHGBHTGBWQN-UHFFFAOYSA-N 268.316 3.861 30 20 CHED CC(C)(C)c1ccc(C#N)c(N(CC2CC2)CC2CC2)n1 1640213074 JRMDBSUGLRTTOM-UHFFFAOYSA-N 283.419 3.877 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCCc2ccccc2)n1 1651298437 WIPDJHHSKFERFY-UHFFFAOYSA-N 279.387 3.905 30 20 CHED COc1ccc(NC(=O)N[C@H](C)CCC(C)C)cc1C#N 1664152836 LUZYYFJLZVVUJY-GFCCVEGCSA-N 289.379 3.513 30 20 CHED Cc1cc(C(=O)N2CCc3cc(C#N)ccc32)cc(C)c1F 1597102461 CKSGBVQSTFNBFO-UHFFFAOYSA-N 294.329 3.517 30 20 CHED C=CCCCCN1CC[C@H](c2ccccc2C(=O)O)C1 1776174879 YDXWLHZSCVVRFR-AWEZNQCLSA-N 273.376 3.530 30 20 CHED CCC(=NOC1CCCCC1)c1ccc(C(=O)O)cc1 1776056371 FVZDSLSISFHFEC-UHFFFAOYSA-N 275.348 3.848 30 20 CHED C=C(Cl)C[C@H](NCc1ccc(C2CC2)c(C)c1)C(=O)O 1776142780 JAIJIDLBMOELDQ-HNNXBMFYSA-N 293.794 3.558 30 20 CHED C=CCN(Cc1cccs1)Cc1ccsc1C(=O)O 1776180999 GGSUXJJAHOPLMN-UHFFFAOYSA-N 293.413 3.696 30 20 CHED CCCC[C@@H](CC)CC(CC)=NN[C@H](CC)C(=O)O 1776067425 ADIVOAXEDFCYFU-TZMCWYRMSA-N 270.417 3.812 30 20 CHED N#Cc1ccc(NC(=O)c2cccnc2Cl)cc1Cl 15538980 JVMMRPPFPJYFBT-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCCCCCCNc1ccn(CC(F)(F)F)n1 161737949 NFQNOQXDBXLXJO-UHFFFAOYSA-N 263.307 3.828 30 20 CHED CCSCC[C@@H](C)Nc1c(F)cc(C#N)cc1F 158747086 AXIHBYOHTHYMKA-SECBINFHSA-N 270.348 3.780 30 20 CHED C=CCCCCCN(C)C(=O)C[C@@H](C)c1ccncc1 160752281 JKQDNRNHACBWAD-OAHLLOKOSA-N 274.408 3.780 30 20 CHED CCC(CC)N(CCC(=O)Nc1ccc(C#N)cc1)C1CC1 165365325 HSPZCWMPKRZTKZ-UHFFFAOYSA-N 299.418 3.540 30 20 CHED Cc1c([C@H](C)NCc2cccc(C#N)c2)cccc1[N+](=O)[O-] 151381943 YSCFBSMVLABBHA-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(F)c(F)c1 152700574 CVLQKJFEYYVOKU-UHFFFAOYSA-N 281.346 3.712 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cc(C)c(F)c(C)c2)n1 153121178 MRQCSSBTISKRKE-LBPRGKRZSA-N 288.347 3.698 30 20 CHED C[C@@H](Cc1ccccc1Cl)C(=O)[C@@H](C#N)c1ccccn1 155104347 XMDIPLWUNPQZHY-JSGCOSHPSA-N 298.773 3.790 30 20 CHED CCN(C(=O)c1ccoc1C)c1ccc(C#N)c(Cl)c1 156529169 GUHUFACOKRDUNU-UHFFFAOYSA-N 288.734 3.780 30 20 CHED C=CCC[C@H](N[C@@H]1CCN2CCC[C@@H]2C1)c1ccccc1 159918394 DYTNBFTXJBUUQA-QRVBRYPASA-N 284.447 3.910 30 20 CHED Cc1cccc(C)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 159346361 RNOFVZYBSMVGIZ-OAHLLOKOSA-N 298.773 3.952 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(C#N)cc1 20307180 KCEPRVXOQUXATI-UHFFFAOYSA-N 250.345 3.580 30 20 CHED CCCCCCCCCC(=O)N(C)Cc1cn[nH]c1 112220356 METXQLBGQHJXFU-UHFFFAOYSA-N 265.401 3.509 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 227358782 KPUZOFGDIOMXQI-VXGBXAGGSA-N 291.376 3.553 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cc(F)ccc1F 229674888 BBEFHRFLXPIZQM-NSHDSACASA-N 266.335 3.945 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)s1 26727080 BJMJNKHAPJUACW-UHFFFAOYSA-N 293.735 3.793 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@H]1CCCC[C@@H]1C 165465046 MOWCLGDILMXFTE-GUYCJALGSA-N 256.393 3.877 30 20 CHED C=CCN(Cc1ccccc1)Cc1nc(CCCC)no1 45796858 PYCNDSUZHNKRQP-UHFFFAOYSA-N 285.391 3.600 30 20 CHED N#Cc1cc(CN2CC[C@H]3CCCC[C@H]3C2)ccc1F 300406032 IQNDKLGRLVZFBB-CABCVRRESA-N 272.367 3.709 30 20 CHED C[C@H](CNc1ccc(C#N)cc1F)Oc1ccccc1 301292128 QSKYDCHTBOWSAK-GFCCVEGCSA-N 270.307 3.577 30 20 CHED CC(C)CC1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CC1 302178287 CXCLCURRMYJSOW-UHFFFAOYSA-N 273.336 3.705 30 20 CHED CN(CCSC(C)(C)C)Cc1cccc(C#N)c1 310716042 NSJJHEWBPBZKOT-UHFFFAOYSA-N 262.422 3.522 30 20 CHED N#CCCCCNCc1cscc1C(F)(F)F 352836706 WVDHDCUVBDDLRG-UHFFFAOYSA-N 262.300 3.550 30 20 CHED Cc1nc(Oc2cccc(F)c2F)c(Cl)cc1C#N 311579861 OJBPMLPCZJBMNB-UHFFFAOYSA-N 280.661 3.986 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC(F)(F)C1 513970431 PXMLBKMEXHYKAU-OAHLLOKOSA-N 278.346 3.816 30 20 CHED CCC[C@H](C#N)NC(=O)C1(c2cccc(Cl)c2)CCC1 611286137 AEDBUCFDECZCJO-CQSZACIVSA-N 290.794 3.570 30 20 CHED N#CCc1ccc(CN2CCC[C@H]3CCC[C@H]32)cc1 343538258 TWTUZYUUKCQDLW-IAGOWNOFSA-N 254.377 3.517 30 20 CHED N#Cc1ccc(N2CCC[C@H](OC3CCC3)C2)cc1Cl 594595156 URTNJLARBHPDEC-HNNXBMFYSA-N 290.794 3.750 30 20 CHED Cc1cc(C#N)ccc1N[C@H]1CCO[C@@H](C(C)(C)C)C1 721827837 PKTPBZLDJQSMOW-GOEBONIOSA-N 272.392 3.872 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(CC#N)cc1 7369117 KFYWMLPQYDSDGO-DOMZBBRYSA-N 287.432 3.618 30 20 CHED COc1c(Cl)cccc1NCc1ccc(C#N)cc1F 121200559 NLQOKDWKBOCQHH-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C#CCN(C(=S)Nc1ccccc1)C1CCCCC1 65705094 RWGQGOGDZMJGKC-UHFFFAOYSA-N 272.417 3.651 30 20 CHED C[C@H](Nc1ccc(Cl)cc1C#N)c1ccccn1 52857033 OSRDXCIGPVNXML-JTQLQIEISA-N 257.724 3.780 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)NCCCCC#N 172133897 VBHIMCKSVKKZBP-OAHLLOKOSA-N 287.407 3.691 30 20 CHED CCOc1ccc(NC(=O)c2ccc(C#N)cc2)c(C)c1 55805278 YURAVOUJTJKWMO-UHFFFAOYSA-N 280.327 3.518 30 20 CHED C[C@@H](SC[C@H]1CCCCO1)c1ccc(C#N)cc1 118443853 GJPKBUWDQISEOF-IUODEOHRSA-N 261.390 3.922 30 20 CHED C[C@H](SCCOCC1CC1)c1ccc(C#N)cc1 173829294 PBZCVWRZPODAFN-LBPRGKRZSA-N 261.390 3.779 30 20 CHED CC[C@H](C#N)OC(=O)c1oc2c(C)cccc2c1C 176021062 OOMQRIWCVRKXCO-LLVKDONJSA-N 257.289 3.509 30 20 CHED C=CC[C@H](C)NC(=O)NCc1cccc2ccccc12 116951286 ZDQCOSVHQYQJOT-ZDUSSCGKSA-N 268.360 3.604 30 20 CHED C#CCCCNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 174126289 MEEYNLCEICKUDT-INIZCTEOSA-N 298.430 3.973 30 20 CHED C=CCCCC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 175370484 ZPHUGMUAIGUBCZ-UHFFFAOYSA-N 294.345 3.860 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 110364116 LXNFWDUNAJEVIZ-QWHCGFSZSA-N 289.341 3.780 30 20 CHED N#Cc1ccc(F)cc1CSc1ccccc1C#N 176984023 UXQHDTSITFXUEZ-UHFFFAOYSA-N 268.316 3.861 30 20 CHED N#Cc1cccnc1NC[C@@H](c1ccccc1)C(F)(F)F 302518636 YLYJSMBOQCZBJA-ZDUSSCGKSA-N 291.276 3.711 30 20 CHED N#Cc1ccc(CNc2ccc(F)cc2OCC2CC2)o1 174423763 DQISURVDGZFJKM-UHFFFAOYSA-N 286.306 3.691 30 20 CHED N#Cc1ccc(Nc2cccc(Nc3ccccc3)c2)nn1 301837445 MPBCOCFONILKDS-UHFFFAOYSA-N 287.326 3.835 30 20 CHED N#Cc1cccc(CNc2ccc(N3CCCC3)c(F)c2)c1 119803262 BFTNHRAVUQOAGD-UHFFFAOYSA-N 295.361 3.910 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccc(Cl)c(C)c1 125047163 WASFDGMYFCWFRG-LLVKDONJSA-N 268.740 3.535 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)C(C)C)c1cccs1 1345102918 HSZDSQUZESXODM-PWSUYJOCSA-N 251.351 3.538 30 20 CHED C=C(C)COCCNc1ncc(-c2ccccc2)s1 301685447 VKWXXMFMTYNCJX-UHFFFAOYSA-N 274.389 3.815 30 20 CHED C=CCC(CC=C)c1nc(-c2cccc(C(=O)OC)c2)no1 124697234 JIKSMHYXNBHSBI-UHFFFAOYSA-N 298.342 3.759 30 20 CHED C=C(C)CN(C)Cc1sccc1Br 308437027 XECDBZXKFQXYLF-UHFFFAOYSA-N 260.200 3.519 30 20 CHED C=CCN1CCC(Nc2cc(CC)nc3ccccc23)CC1 301804567 UYXSRONYMSQVCD-UHFFFAOYSA-N 295.430 3.860 30 20 CHED CC[C@H](C#N)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 122215078 MFBLBZBIVLELGI-CHWSQXEVSA-N 294.782 3.612 30 20 CHED CCN(C(=O)/C=C/c1ccccc1C#N)C1CCCCC1 30476037 KAZOPKNOFIYQJI-OUKQBFOZSA-N 282.387 3.753 30 20 CHED CO[C@H](C)COc1ccc(-c2ccc(C#N)cc2)cc1 180898512 DAFHKWPKELXVBR-CYBMUJFWSA-N 267.328 3.639 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCc1ccccc1 189772740 TYHUTZISNMDNDS-PBHICJAKSA-N 259.393 3.726 30 20 CHED CC(C)Oc1cccc([C@H](C)OC(=O)C(C)(C)C#N)c1 187867078 HRECWQBYANWVTR-LBPRGKRZSA-N 275.348 3.628 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCCC(F)(F)C1 337025726 ZTHGZCJLVZPOSG-GFCCVEGCSA-N 286.366 3.743 30 20 CHED C[C@H](Nc1ccc(C#N)c(Cl)c1)C(=O)Nc1ccccc1 37393436 RTIMYXKTRNWJDV-NSHDSACASA-N 299.761 3.651 30 20 CHED C=CCCCN(C)Cc1ccc(Br)cc1F 523010513 IURBLRGJGNMJST-UHFFFAOYSA-N 286.188 3.986 30 20 CHED C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 75997321 XTVSMTCUPZALHV-GHMZBOCLSA-N 291.782 3.721 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)c1cccc(F)c1 410145497 MEDGAVAHTYJGEX-WFASDCNBSA-N 263.356 3.790 30 20 CHED COc1cccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 37771487 YVRSGFGOESRNLF-KBPBESRZSA-N 280.371 3.979 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC[C@H](O)C2)c(C(F)(F)F)c1 78304259 NDVDEPVGRGQCDF-NEPJUHHUSA-N 298.308 3.540 30 20 CHED C=CCc1ccc(OC(=O)C[C@@H]2C=CCC2)c(OC)c1 72704444 QEXZDKBZNGBIDO-CQSZACIVSA-N 272.344 3.685 30 20 CHED CC[C@@H](C#N)Sc1ncnc2sc(C)c(C)c12 127101789 JJFMRVDGTHXWOY-VIFPVBQESA-N 263.391 3.702 30 20 CHED COc1cccc(/C=C/C(=O)c2cccc(F)c2F)c1 182722106 BTVQVBHJLTVROY-CMDGGOBGSA-N 274.266 3.870 30 20 CHED CC(C)(C)c1nc(CCN[C@@H]2CCC[C@H](C#N)C2)cs1 185874659 KTJBHORWGQNHEJ-QWHCGFSZSA-N 291.464 3.655 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(C#N)c(F)c2)C1 361839862 MSLKPKXGCDCHSL-MRXNPFEDSA-N 260.356 3.709 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCSc2ccc(Cl)cc21 341869566 AUPYWECSMNKBEY-SMDDNHRTSA-N 297.851 3.651 30 20 CHED C=CC[C@H](CO)CN[C@H](CC)c1cccc(Cl)c1 341876414 JOFGBMMZGQGXAI-SWLSCSKDSA-N 267.800 3.565 30 20 CHED C=C[C@@H](C)OC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 187532887 GLJJGRVXYAFANE-GFCCVEGCSA-N 299.326 3.572 30 20 CHED CSCCCNc1cc(C#N)ccc1C(F)(F)F 125070866 OJQYXTIKXQDVDG-UHFFFAOYSA-N 274.311 3.742 30 20 CHED CSCCCCCNCc1ccc(O[C@H](C)C#N)cc1 185161038 APTXECXNYNVEHF-CQSZACIVSA-N 292.448 3.600 30 20 CHED CC(F)(F)CCCNc1cc(C(F)(F)F)cnc1C#N 413328610 NSDRVJHZZBRGAT-UHFFFAOYSA-N 293.239 3.819 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 410116870 KXOSZQCGIYANAN-YPMHNXCESA-N 281.783 3.578 30 20 CHED C[C@H]1CCCC[C@H]1N(C)c1nc(C(F)(F)F)ccc1C#N 78833502 OSGQKXFUCCOKMG-CMPLNLGQSA-N 297.324 3.987 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccccc1Br 157231991 MEAUAYLGKAMBSV-UWVGGRQHSA-N 254.171 3.674 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2CCO[C@@H](CCC)C2)c1 180180273 NECVYMAKYXABTB-AEFFLSMTSA-N 299.414 3.616 30 20 CHED C=CCOCCSCc1nc(C(F)(F)F)cs1 419448493 QFPLJLOYOJYIPP-UHFFFAOYSA-N 283.340 3.598 30 20 CHED Cc1cc(C#N)ccc1CSCc1noc(C2CC2)n1 186084306 QHAQPWUDNZMAGE-UHFFFAOYSA-N 285.372 3.561 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H](CCC#N)c1ccccc1 184978733 RVKFRBXPKQETMZ-HYVNUMGLSA-N 299.418 3.861 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@H]1OCCc2ccccc21 182601034 LOSNIUHGULRCBB-WMLDXEAASA-N 287.403 3.552 30 20 CHED CCOC1CC(CSc2ccc(C#N)cc2F)C1 505515827 WRDHQYGCVVQBRH-UHFFFAOYSA-N 265.353 3.605 30 20 CHED C#CCCCCC(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 186033663 KJKHBWYZVJIUIV-KRWDZBQOSA-N 291.341 3.892 30 20 CHED N#Cc1ccc(N2CC[C@H](c3ccco3)C2)cc1Cl 609512783 MPMQRUXQXIXKLT-LBPRGKRZSA-N 272.735 3.799 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](CC)CC(F)(F)F 412655333 KXVSHSJKWPUNKN-CMPLNLGQSA-N 265.319 3.684 30 20 CHED C=CCC[C@@H](C)NC[C@H](c1ccccc1)N1CCCC1 130509906 YWCQKJCDPMSSSD-SJLPKXTDSA-N 272.436 3.768 30 20 CHED CC1(C)CCC[C@@H](CC(O)=Nc2ccc3nncn3c2)C1 329375919 OAWOFWPBLJOWDQ-LBPRGKRZSA-N 286.379 3.924 30 20 CHED C=CCOc1ccc(OC(=O)COC2CCCCC2)cc1 81323832 JUJWTZHAXNXBMY-UHFFFAOYSA-N 290.359 3.506 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CC)C1 508810947 FOQBHFMMHIAQTB-UONOGXRCSA-N 276.428 3.604 30 20 CHED CC[C@@H]1C[C@]1(NCCCSCC#N)c1cccc(C)c1 502592530 GGKVSDHMHJEQPV-NVXWUHKLSA-N 288.460 3.857 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCc1ccccc1 42142157 ZVPNHNAPPSIJAU-AWEZNQCLSA-N 277.433 3.733 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H]1c1ccccc1 614402281 QJKRVLYRPHTBPS-SFHVURJKSA-N 262.356 3.814 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCCOC(F)F 193235339 WTFPCGZZYPZTJR-VCHYOVAHSA-N 279.286 3.594 30 20 CHED Cc1cccc(CCC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 45218549 ZNKGRBVUNVQKNS-OAHLLOKOSA-N 292.382 3.677 30 20 CHED C=C(C)CCc1noc(-c2cncc(Cl)c2C)n1 420500174 FHAUAYNFICXPPM-UHFFFAOYSA-N 263.728 3.602 30 20 CHED CC(C)[C@H](C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425120798 BDFDUYIOGWYATA-ZIAGYGMSSA-N 272.392 3.760 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1c(F)cccc1SC 424830716 HSDGTNCRGZUNFO-UHFFFAOYSA-N 281.396 3.766 30 20 CHED CCC(CC)NC(=O)Nc1ccc(C#N)c(Cl)c1 48474425 XGMBNRNQTUGWBZ-UHFFFAOYSA-N 265.744 3.522 30 20 CHED Cc1cccc(CC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 515416301 XMWCVAXZTFKDAA-OAHLLOKOSA-N 292.382 3.629 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1nc(C(C)(C)C)cs1 516339324 NPAJBPFFJIRLPF-SECBINFHSA-N 267.398 3.527 30 20 CHED CC(C)CC[C@H]1CCCCN1C(=O)NCC(C)(C)C#N 512907207 NRBGLDGYMUJNDA-CQSZACIVSA-N 279.428 3.536 30 20 CHED N#CCCCN1CC=C(c2ccc(Cl)cc2)CC1 83422927 IXOVVPJVOKYIDG-UHFFFAOYSA-N 260.768 3.733 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2ccc3c(c2)C(=O)CCC3)CCC1=O 328952810 NXUJKONMLDWOPP-YPMHNXCESA-N 299.370 3.799 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cnc3ccccn23)cc1 133171963 AYDQQDFJQBQLCO-DHZHZOJOSA-N 292.338 3.629 30 20 CHED N#CC1(/N=C(/O)CN2CCCC[C@H]2c2ccccc2)CCC1 329205391 DJOJXELZUSVULU-INIZCTEOSA-N 297.402 3.616 30 20 CHED C[C@H]1CCCN(c2ccc(Br)cc2C#N)C1 227634935 CWNGISMKIQVHCD-JTQLQIEISA-N 279.181 3.557 30 20 CHED C=CCC(C)(C)c1noc(-c2cncc(Cl)c2C)n1 420506173 UJRXIJNIUHJQTI-UHFFFAOYSA-N 277.755 3.947 30 20 CHED Cc1ccc([C@@H](C)N(C)c2cc(C#N)ccn2)c(C)c1 516987291 NOLACRFNSLXZDB-CQSZACIVSA-N 265.360 3.768 30 20 CHED CC[C@@H](C(=O)N[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 84186793 QZDFMMRHYWRIME-GXFFZTMASA-N 298.308 3.617 30 20 CHED C[C@H]1CC[C@H](/N=C(/O)c2cnc([C@H]3CCCO3)s2)CC1 328806131 CLAWONFBGKUSCQ-IJLUTSLNSA-N 294.420 3.878 30 20 CHED CC1=C(/C(O)=N/[C@@H]2CCCc3nc(O)ccc32)CCC1 328624912 ZVYDQZWRXXXSRP-CQSZACIVSA-N 272.348 3.622 30 20 CHED Cc1nc2ccc(N=C(O)C[C@@H]3CCC[C@@H](C)C3)cn2n1 329009577 OENWHRRHLFZZIJ-DGCLKSJQSA-N 286.379 3.842 30 20 CHED C[C@@H]1OCC[C@]1(C)/N=C(/O)c1cncc(-c2ccccc2)c1 329664854 QNXZXCDGTSVRQZ-UGSOOPFHSA-N 296.370 3.621 30 20 CHED N#Cc1ccc(N2CCC(Cc3ccc(F)cc3)CC2)cn1 426904800 KOCMTESPQDDEGS-UHFFFAOYSA-N 295.361 3.551 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cncs1)CS2 191798593 VPXOQHVGKJJTAT-WTKPLQERSA-N 289.381 3.524 30 20 CHED CC(C)(C)CCCNC(=O)Nc1cccc(CC#N)c1 518323676 CDHHEAMHMKKQIA-UHFFFAOYSA-N 273.380 3.700 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1nc2cc(Cl)ccc2n1C 427841679 ITOYRXYXNNNZAU-NEPJUHHUSA-N 291.826 3.917 30 20 CHED CCC[C@@H](C)N(C)C(O)=Nc1cc(C)c2c[nH]nc2c1 330740395 APIXDPXLKNYDLO-LLVKDONJSA-N 274.368 3.537 30 20 CHED N#Cc1csc(C(=O)Nc2cc(Cl)cc(F)c2F)c1 336405185 LJTWQFDPJAJLCE-UHFFFAOYSA-N 298.701 3.804 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](CC)C1 338862169 CZEORBNHXJTBKJ-AWEZNQCLSA-N 288.439 3.748 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H]2CC[C@@H](C)C2)c1C#N 428669838 KQUMZJZKNWPSTN-MWLCHTKSSA-N 263.772 3.540 30 20 CHED COc1cc(CN[C@@H]2CCCc3sccc32)ccc1C#N 235007688 LPZQHHPFRNTTIS-OAHLLOKOSA-N 298.411 3.796 30 20 CHED Cc1nccc(N=C(O)N2CCCC[C@@H]2c2ccccc2)n1 330084235 BUIJZEPVWXYVSG-OAHLLOKOSA-N 296.374 3.558 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc(C(C)(F)F)cc2)no1 334667775 GWHKCCNMJFLCKZ-RFAUZJTJSA-N 289.285 3.649 30 20 CHED Cc1ncsc1CN1CC=C(c2ccc(C#N)cc2)CC1 335947647 NVZQFDIAWDXRGU-UHFFFAOYSA-N 295.411 3.613 30 20 CHED CC(C)CN(Cc1cc(C#N)cs1)CC(F)(F)F 92030706 KJCXVSZQUCJFAE-UHFFFAOYSA-N 276.327 3.640 30 20 CHED CC(=O)c1ccc(NC(=O)c2cccc(C#N)c2C)cc1C 337795391 FCXRHPCCCULBCM-UHFFFAOYSA-N 292.338 3.630 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ncc(C(C)(C)C)s1 510042771 SIEHWCUZJGMJIM-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCCCCOC1CCCCC1 512686911 KOSCJWRHFOIDPI-KRWDZBQOSA-N 294.439 3.562 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCC1Cc2ccccc2C1 425940241 GTDYZTCDBDJLSK-GOSISDBHSA-N 298.430 3.542 30 20 CHED N#CC1(CN2CC[C@@](F)(c3cccc(Cl)c3)C2)CC1 338372836 UYIIBIOGDXMCDB-HNNXBMFYSA-N 278.758 3.514 30 20 CHED Cc1nccc(N/C(O)=N/[C@@H]2CC[C@@H](C)c3ccccc32)n1 330082161 ANQGQSJPRRGLGP-IAQYHMDHSA-N 296.374 3.750 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCCN1C1CCCC1 439971632 KBZNYNZPDMGFRV-KRWDZBQOSA-N 292.467 3.598 30 20 CHED Cc1cc(Cl)ccc1NC(=O)N1CCC(CC#N)CC1 334373352 ZUAXDHJJKLZHQY-UHFFFAOYSA-N 291.782 3.806 30 20 CHED C=C(C)CN(CCC(C)(C)C)Cc1ccc(CO)o1 512170259 RGYCYXMLKZRXBZ-UHFFFAOYSA-N 265.397 3.586 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(Cl)c(C#N)c1 519727673 UBWIJSPUFQIXQQ-PHIMTYICSA-N 276.767 3.615 30 20 CHED Cc1cccc(C2(C(=O)Nc3cccc(C#N)c3C)CC2)c1 432345296 GXAAZRKBKDOUQA-UHFFFAOYSA-N 290.366 3.845 30 20 CHED N#Cc1cccc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1 435734837 HVMBAEPPKJECCH-RZDIXWSQSA-N 298.336 3.872 30 20 CHED C=C(CC)CN(C)Cc1ccc(SC)c(OC)c1 539104169 CBCUFBYLYCHQKO-UHFFFAOYSA-N 265.422 3.815 30 20 CHED C=CCC[C@@H](NC(=O)N[C@H](C)CC=C)c1ccccc1 435108950 QCHISDMDDRQIJG-GDBMZVCRSA-N 272.392 3.958 30 20 CHED Cc1ccc(F)c(CN(C)C(=O)Nc2ccc(C#N)cc2)c1 435911523 MZBVTEFMARXYGC-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)c2ccccc2O1 335177822 OSQKSWQOHKYOCJ-SJKOYZFVSA-N 296.345 3.699 30 20 CHED C=CCCOc1ccc(NC(=O)c2cccnc2)cc1C 339026702 NZHZGNNJNJNHRH-UHFFFAOYSA-N 282.343 3.597 30 20 CHED COc1cccc2cc([C@@H](C)NCC3(CC#N)CC3)oc12 430742596 MSTKTFBZRINSCL-GFCCVEGCSA-N 284.359 3.786 30 20 CHED N#Cc1ccccc1SCc1nc(-c2cccs2)n[nH]1 93904200 QBYRVTRFEAHLAC-UHFFFAOYSA-N 298.396 3.697 30 20 CHED Cc1nc(-c2ccc(NC(=O)[C@]3(C#N)C[C@@H]3C)cc2)cs1 336237007 DQBNNDQZBZYMDU-QFYYESIMSA-N 297.383 3.607 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(COC)c(C#N)c1 529815642 FEGLCMWGNKXKQJ-GFCCVEGCSA-N 288.391 3.715 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCCOc3c(F)cccc32)C1 248876685 RCRSTSIKEGTWNP-DVOMOZLQSA-N 288.366 3.711 30 20 CHED CC(C)CN(CC[C@H]1CCCO1)c1ccc(C#N)cc1 346413027 NDUICGQXMGWOTJ-QGZVFWFLSA-N 272.392 3.590 30 20 CHED Cc1ccccc1OCCCSCC1(C#N)CC1 344473385 LKQCRRMVGBNIDK-UHFFFAOYSA-N 261.390 3.801 30 20 CHED C=C(Br)CN(C)[C@H](C)c1ccccc1 52440143 LYQQCZNSARAZBS-LLVKDONJSA-N 254.171 3.588 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CCC1 341871969 GUKHEMICIQNQEJ-YVEFUNNKSA-N 254.377 3.714 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CC1CCCC1 346894104 JOQPNBYQPNXTNQ-UHFFFAOYSA-N 271.364 3.509 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(-c3ccccc3)c2)c[nH]1 345585364 IUQHYRRTRNABCB-UHFFFAOYSA-N 287.322 3.806 30 20 CHED Cc1cccc([C@@H]2CCN(c3c(C#N)cccc3C#N)C2)c1 436317990 ARBCZLRCMFGBRO-GOSISDBHSA-N 287.366 3.732 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H]2CCOc3ccccc32)n1 343036835 BZCKTQZPGMEZDD-AWEZNQCLSA-N 293.370 3.548 30 20 CHED Cc1ccc(-c2nc(CNc3cc(C#N)ccn3)co2)cc1 342823927 JYLOSZUYTMWNNH-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@@H]2CCC[C@@H](C)C2)no1 346257886 XWUDYHMLBLLWGQ-XJKCOSOUSA-N 278.396 3.844 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1c[nH]c2ccccc12 255590046 XYMAOYKYAKBEFN-HJWRWDBZSA-N 287.322 3.712 30 20 CHED CC(C)(CCC#N)CNC(=O)CCc1ccc(Cl)cc1 345879723 FARLNZXCNMCEJR-UHFFFAOYSA-N 292.810 3.719 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCCC(F)(F)F 436310671 SADLQVFAWVNHPK-XQQFMLRXSA-N 279.346 3.678 30 20 CHED CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(C#N)cc(C)n1 342913185 SOZRUBBMGNPNGZ-SJKOYZFVSA-N 299.349 3.589 30 20 CHED CCc1nnc(SCCC2(C#N)CCCCC2)o1 603372844 XEEIDBLMJNKYRY-UHFFFAOYSA-N 265.382 3.588 30 20 CHED Cc1nc(CSCc2ccc(CC#N)cc2)cs1 342558504 PGXGPWHUOHGNTC-UHFFFAOYSA-N 274.414 3.951 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(SC2CC2)cc1 341135415 LVYODJRDQUARSO-AWEZNQCLSA-N 288.416 3.609 30 20 CHED CC(C)(CCC#N)CNC(=O)CCSc1ccccc1 345911020 PXCRRIGLUQGHBF-UHFFFAOYSA-N 290.432 3.615 30 20 CHED CC(C)(CN[C@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 442782875 OXFCKXBFCUGVQG-WFASDCNBSA-N 276.811 3.899 30 20 CHED Cc1ccccc1N=Cc1cc2ccccc2nc1O 254491836 PINYJYVEEBZXJT-UHFFFAOYSA-N 262.312 3.999 30 20 CHED C=CCn1c(C)cc(C(=O)COc2ccccc2F)c1C 255931182 WXUONTWKPXVOGL-UHFFFAOYSA-N 287.334 3.692 30 20 CHED N#Cc1[nH]c(=Nc2ccc3ccoc3c2)ccc1Cl 443487486 IGOWTJWDYIFWCF-UHFFFAOYSA-N 269.691 3.518 30 20 CHED CCCCc1noc(CSc2ccc(C#N)cc2F)n1 525503372 JTNNRSUMQWAONB-UHFFFAOYSA-N 291.351 3.715 30 20 CHED COc1cc(CN2CCC[C@@H]2c2ccsc2)ccc1C#N 442808824 IOQPMHKTRKFASG-MRXNPFEDSA-N 298.411 3.965 30 20 CHED C=CCCCC[C@H](C)N[C@H](CO)c1ccc(F)cc1 449145987 AWHLZYDDWWWUJL-XJKSGUPXSA-N 265.372 3.584 30 20 CHED CCN(C(=O)C1CCC=CCC1)c1ccc(C#N)cc1 602275292 HOIAHAFXEHRCBS-UHFFFAOYSA-N 268.360 3.658 30 20 CHED O=C1/C(=C\c2cccc3nccn23)Cc2cc(Cl)ccc21 255369908 NVYYAMVBHFGENR-BENRWUELSA-N 294.741 3.810 30 20 CHED C[C@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1(C)C 354801021 YCXCONMISRIEAC-NSHDSACASA-N 290.794 3.720 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C#N)cs2)s1 255671930 XOUDDDHCEUYEBZ-ARJAWSKDSA-N 259.355 3.886 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(C)c(OC)c1 446815629 WZGRQTIWAQEVAF-UHFFFAOYSA-N 285.387 3.827 30 20 CHED COc1ccccc1[C@H]1CCCCN1CC1(CC#N)CC1 602775108 IFEHUOJZALSPOM-MRXNPFEDSA-N 284.403 3.916 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)[C@@H](C)C1CCC1 350740891 JDGHLORVCJBUIN-STQMWFEESA-N 276.428 3.602 30 20 CHED CC(C)(C#N)CCCn1cc(CC2(C#N)CCCCC2)nn1 603259879 LEQDVZBMFKSXPO-UHFFFAOYSA-N 299.422 3.625 30 20 CHED Cc1cc2cc(CNCc3ccc(C#N)s3)ccc2[nH]1 353147220 YMJNNCLGOLEOTR-UHFFFAOYSA-N 281.384 3.699 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H](C)[C@H]1CCC)OCC 534424219 DCWGLUDVBKKQRS-OAGGEKHMSA-N 281.440 3.785 30 20 CHED C[C@H](C1CCC1)N(C)C(=O)c1cccc(SCC#N)c1 356606911 XCDRXHIXURUPFK-GFCCVEGCSA-N 288.416 3.563 30 20 CHED CN(Cc1ccoc1)Cc1cccc(OCCCC#N)c1 352654180 IHENSUMFEKKUBY-UHFFFAOYSA-N 284.359 3.594 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCC(C)(C)C1 443550493 JNFDBCLMCKMKKX-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2ccncc12 532328972 CCMWOHULTPHBKZ-UHFFFAOYSA-N 266.344 3.942 30 20 CHED N#CC1(c2nc(Cc3cccc(Cl)c3)no2)CCCC1 267069395 IJQZWIRLNQWDBA-UHFFFAOYSA-N 287.750 3.649 30 20 CHED C=CCC1(NC(=O)c2c[nH]c(C(F)(F)F)c2)CCCC1 619111002 SSWDFQFETRFKAZ-UHFFFAOYSA-N 286.297 3.652 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)Oc1ccccc1F 449178935 VKTHZFOQGZBXBR-TUBUQKNSSA-N 290.382 3.655 30 20 CHED C=CCN(CCC#N)C(=O)c1cc2ccccc2n1CCC 359378713 IPQNHQQXBIXRFR-UHFFFAOYSA-N 295.386 3.593 30 20 CHED C=CCC1(NC(=O)c2ccc(C(F)(F)F)nc2)CCCC1 619115090 UUIDIDKVEUVFRL-UHFFFAOYSA-N 298.308 3.719 30 20 CHED Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1OC(C)C 442881304 ZEQLYYXSKHUXSJ-KGLIPLIRSA-N 258.365 3.886 30 20 CHED C[C@@H](c1ccccc1)n1cnnc1SCCCCC#N 268603945 UHTIUGXJEBJKAF-ZDUSSCGKSA-N 286.404 3.673 30 20 CHED CC(C)Oc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1 610577693 ORRYHNJDAPNLDN-UHFFFAOYSA-N 298.317 3.737 30 20 CHED C=CCC1(CNCc2ncc(C)s2)CCCC1 449607384 XNVVYGGCSYREGP-UHFFFAOYSA-N 250.411 3.678 30 20 CHED Cc1cn2nc(N[C@@H](CCC#N)c3ccccc3)sc2n1 269681748 ILAZQLQWHXFSOV-ZDUSSCGKSA-N 297.387 3.556 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cc(C)oc2C)CC1 447530027 MZISVXXUAADXMZ-CQSZACIVSA-N 276.424 3.588 30 20 CHED N#Cc1ccc(Oc2nc(C3CC3)nc3c2CCC3)c(F)c1 535749322 JJSGVBMGPZMFOH-UHFFFAOYSA-N 295.317 3.646 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C#N)[nH]c1C 448913510 VVEBILQEJBEBEO-ZDUSSCGKSA-N 295.386 3.636 30 20 CHED CC1(C#N)CCC(NCCc2ccc(Cl)cc2)CC1 449063877 OBTRXOAWORBPCM-UHFFFAOYSA-N 276.811 3.945 30 20 CHED C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccsc1 619762684 HZKDGCZAAUZKQX-GFCCVEGCSA-N 299.399 3.522 30 20 CHED C=CC(C)(C)CNC(=O)NCCc1c[nH]c2c(C)cccc12 455365304 KPARPHURRDHXJJ-UHFFFAOYSA-N 299.418 3.530 30 20 CHED N#Cc1cccc(NCC2(C(F)(F)F)CCC2)c1[N+](=O)[O-] 450535848 QCYTZILXVOCPLY-UHFFFAOYSA-N 299.252 3.611 30 20 CHED N#C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccc(Cl)cc1 275062833 RPJJUUVQCFSQKL-DOMZBBRYSA-N 288.778 3.767 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 540483350 MAPRIEUGGCCADR-RRFJBIMHSA-N 296.455 3.624 30 20 CHED CC(C)c1ccc(CSc2nccc(C#N)n2)cc1 450304845 SRFDHWOSBKWBFB-UHFFFAOYSA-N 269.373 3.764 30 20 CHED C=CCC1(C(=O)Nc2cc3c(cc2C)OCO3)CCCC1 450779402 WIJUTINJCLBYRU-UHFFFAOYSA-N 287.359 3.799 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1OC(C)C 454465911 MPVPOUQEIJJIFE-UHFFFAOYSA-N 262.353 3.562 30 20 CHED C=C[C@H](CC(=O)N1CCC(=C)CC1)c1ccccc1 270279703 ILVHOYCORXAZLX-OAHLLOKOSA-N 255.361 3.525 30 20 CHED C=C(CNC(=O)c1cccn1C(C)C)c1ccccc1 360214018 SMYNYRRZOPMOGP-UHFFFAOYSA-N 268.360 3.512 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Cc1ccccc1Cl 452778689 YQMYXLIENBMUHU-GFCCVEGCSA-N 279.811 3.847 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1sc(C(C)C)nc1C 453360725 PQBLIYAYVPRFQO-YPMHNXCESA-N 282.453 3.553 30 20 CHED C=CCC(CC=C)c1nc(-c2ccncc2CC)no1 273987008 VMSQTDAMRWMBPX-UHFFFAOYSA-N 269.348 3.930 30 20 CHED C=C(CC)CN1CCC[C@@H]1c1cccc(N(C)C)c1 540203891 DIPDVEVFXXKIBK-QGZVFWFLSA-N 258.409 3.856 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 377050293 ZHPQMQRPMSTYJT-GJZGRUSLSA-N 299.418 3.715 30 20 CHED COc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1C 542276858 BUCKSOLQMCNDJN-UHFFFAOYSA-N 294.398 3.702 30 20 CHED CCCC[C@H](CC)CNC(=O)[C@@H](C)c1cccc(C#N)c1 461895508 AULIKSJPHLVKEA-GJZGRUSLSA-N 286.419 3.994 30 20 CHED COc1ccccc1C[S@](=O)CCCCC(C)(C)C#N 278166735 DMSOYMLGDZVRLW-HXUWFJFHSA-N 293.432 3.664 30 20 CHED C[C@@H](C(=O)NCCC1CCCCC1)c1cccc(C#N)c1 461902075 QBQAMFDEQVUJOR-CQSZACIVSA-N 284.403 3.748 30 20 CHED C[C@H]1CCN(C(=O)C2(C#N)CCCC2)CC12CCCCC2 463041652 ZWZVBMAMCNRAAO-HNNXBMFYSA-N 288.435 3.889 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 276150153 PVIGHKMPNLVTCR-UHFFFAOYSA-N 298.390 3.529 30 20 CHED CC(C)Oc1ccccc1C(=O)Nc1ccc(C#N)c(F)c1 464646359 HWSVANGLUYTRQI-UHFFFAOYSA-N 298.317 3.737 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1OCCC 466379523 YWOKDLNBVKTRSI-CYBMUJFWSA-N 276.380 3.952 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 289105130 QALBRVAHAMEOCZ-HUUCEWRRSA-N 299.418 3.517 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 466624653 ALJUHXCQZSMLTC-JTQLQIEISA-N 280.334 3.571 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CC[C@H](C(C)C)C1 558980150 UYNMSJRHLPNCRP-HNNXBMFYSA-N 290.455 3.679 30 20 CHED C=CCC(F)(F)c1nc(CC2(C)CCCC2)no1 551456907 QZFAZGKASQVLPJ-UHFFFAOYSA-N 256.296 3.860 30 20 CHED C=CCC[C@H](NC[C@H](C)Cn1ccnc1C)c1ccco1 286017617 JNNMNZXCUGLAMB-HOCLYGCPSA-N 287.407 3.718 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)CC(C)(C)OC 466101518 OYWVUJYIKLGINY-AWEZNQCLSA-N 284.444 3.578 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCCc1ccccc1F)CC2 554999444 CKEVNODKYLPNRT-IBGZPJMESA-N 294.373 3.907 30 20 CHED CC(C)CCN(CCC#N)Cc1csc(Cl)n1 289019444 APRBSZOHHCBLQR-UHFFFAOYSA-N 271.817 3.558 30 20 CHED Cc1cc(CN(C)CC(C)(C)C#N)ccc1Br 552085282 YEZNEBSFYHWIJM-UHFFFAOYSA-N 295.224 3.739 30 20 CHED N#CCSCCCN1CCCCCc2ccccc21 467129959 QJJSOKJGFQYOOT-UHFFFAOYSA-N 274.433 3.866 30 20 CHED C=CCC1(N[C@H](c2nc[nH]n2)C2CCCCC2)CCCC1 639322919 ZPHMLAMILOWHCE-HNNXBMFYSA-N 288.439 3.905 30 20 CHED CC(C)(C#N)Cc1nc(-c2ccc(C(C)(F)F)cc2)no1 289800689 NFOGNLFUIVRYSC-UHFFFAOYSA-N 291.301 3.941 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccccc1OC(C)C 558423278 BWESIMSHWPEGOC-CXAGYDPISA-N 288.391 3.591 30 20 CHED C=CCC[C@@H](C)NCCc1ccc(OC)c(OC)c1Cl 551240274 IAOWAYOTIHKOEV-GFCCVEGCSA-N 297.826 3.844 30 20 CHED C=CCOc1cccc(CN(C)[C@H](CC)CSC)c1 554888290 BHTQEHQPGDYSNV-OAHLLOKOSA-N 279.449 3.825 30 20 CHED C=CC[C@@H](NCCCc1cnccc1C)c1ccncc1 809620432 IMPBTBCKHJVZGF-GOSISDBHSA-N 281.403 3.625 30 20 CHED Cc1nc(Nc2cnn(C3CCCC3)c2C)ccc1C#N 291934303 MJCZFKOFAVJLIH-UHFFFAOYSA-N 281.363 3.625 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1cccc(N2CCCC2)c1 298739057 BVEDWIAXNXICAC-GJZGRUSLSA-N 271.408 3.630 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2CC[C@@H]2C2CC2)cc1C#N 809635015 BMRHWFWJVYOAPL-GDBMZVCRSA-N 299.374 3.727 30 20 CHED C=CCC[C@H](O)CN(C)CC(C)(C)c1ccc(C)cc1 472566799 QTKONJFHGVFQCC-KRWDZBQOSA-N 275.436 3.532 30 20 CHED N#C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CC12CCCC2 294631661 ZPDMTGAYSNOZGP-GOSISDBHSA-N 291.354 3.647 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1-c1csc(C)n1 806501496 HVWBMEKHBTUIDD-GFCCVEGCSA-N 299.399 3.652 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 295081791 FANILTMTUCWXKK-QWHCGFSZSA-N 263.768 3.524 30 20 CHED CC(C)[C@@H](CNc1cc(C#N)ccn1)c1ccccc1 561120421 GLTWNEUGZZYOCT-MRXNPFEDSA-N 265.360 3.805 30 20 CHED C#C[C@H](NC(=O)[C@H](CCC=C)c1ccccc1)C(C)(C)C 807879123 OCKXOZIHERHVND-SJORKVTESA-N 283.415 3.901 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN1CCC(CCC#N)CC1 563069159 UMGSQZKYBLOODS-NVXWUHKLSA-N 278.440 3.597 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)CC1CCC(=O)CC1 295412016 DHRCWVAAGSBOPL-UHFFFAOYSA-N 284.403 3.528 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)cc(C)c2)[C@@H]1SC 807955138 OIJZGSMXXBFIKZ-CABCVRRESA-N 278.421 3.612 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)c1ccccc1 476254949 SIDURVSWTPGKPO-WBMJQRKESA-N 298.773 3.825 30 20 CHED C=CCC[C@H](N[C@@H]1CCS[C@H]1C)c1ccco1 647359883 MNFFZLUWKALRBO-XQQFMLRXSA-N 251.395 3.771 30 20 CHED C=C(C)[C@H](N[C@H](CC)C(=O)OCC)c1ccc(F)c(F)c1 481616599 VUNGHOLFZMDQOV-CABCVRRESA-N 297.345 3.513 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(-c2ncco2)c1C 816798717 UGGWDAHNHYMVEJ-UHFFFAOYSA-N 282.343 3.638 30 20 CHED Cl/C=C/CON=Cc1ncc(-c2ccccc2)s1 811672408 YEHBWOJXPUROQH-JEVKGGJXSA-N 278.764 3.913 30 20 CHED C=C(C)CNC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 488602358 UOSJDXLCEVLCQA-UHFFFAOYSA-N 284.403 3.678 30 20 CHED C#CC[C@@H](OC(=O)c1nc2ccccc2cc1Cl)C1CC1 810609099 FVCQBBFONDJPNT-OAHLLOKOSA-N 299.757 3.847 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(Cl)c(F)c1 815311546 PCWFPHMKLGXWMF-UHFFFAOYSA-N 278.657 3.734 30 20 CHED C=CCCCC(=O)N(Cc1cccc(F)c1)C(C)C 481329036 WXIIXKIFSCEYSL-UHFFFAOYSA-N 263.356 3.919 30 20 CHED C=CCOCCOc1c(C=O)cc(Cl)c2ccccc12 814757207 RQLNLHUWZBQPGP-UHFFFAOYSA-N 290.746 3.887 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc2c(c1)CCCCC2=O 811421441 KJWADOSLVRAKFK-UHFFFAOYSA-N 299.370 3.692 30 20 CHED C=C(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 488586316 YPQGZEITGMIZGG-WBVHZDCISA-N 286.419 3.788 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H](C)C(C)C)cc1 573101101 HTKBGBOWXUBCNF-CZUORRHYSA-N 272.392 3.564 30 20 CHED C=CCOCCN[C@H](C)c1cc2cccc(OCC)c2o1 574294554 PGMFYTPUCYJVJR-CYBMUJFWSA-N 289.375 3.685 30 20 CHED C=CCC[C@@H](C(=O)OCC[C@H]1CCOC1)c1ccccc1 816444156 FCRKHOBSJIMCRY-NVXWUHKLSA-N 288.387 3.706 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 819529535 OYGJQXQBNHRYIN-GWCFXTLKSA-N 290.234 3.631 30 20 CHED COc1cc(F)ccc1NN=C1CC[C@H]1C1CCC1 814916435 UGYZNZSSRUJCPM-LBPRGKRZSA-N 262.328 3.812 30 20 CHED CC(C)OCCON=Cc1csc(-c2cccs2)n1 812237436 ACWGTRWGXIZTHH-UHFFFAOYSA-N 296.417 3.647 30 20 CHED C=CC[C@H](Cc1ccccc1)n1cc(/C=C\C)nn1 656457459 NIQHKKDMKJKQEC-HQOGMNCSSA-N 253.349 3.671 30 20 CHED COc1cc(NCc2cc(C#N)ccc2OC)c(C)cc1C 480310944 QLMSMNNHBIUFML-UHFFFAOYSA-N 296.370 3.804 30 20 CHED CCN(CC)C[C@@H]1CCCC[C@@H]1NCCCC(C)(C)C#N 482152473 RCGNWRCMWLJNND-IRXDYDNUSA-N 293.499 3.807 30 20 CHED C=C(C)C(C)(C)C(=O)N(CC)Cc1ccc(C)cc1 576816815 KTZNWZNXLWZWLA-UHFFFAOYSA-N 259.393 3.946 30 20 CHED CC1=CC(=NNc2ncnc3c2oc2ccccc23)CC1 725841756 MPROGGRVCDRZLV-UHFFFAOYSA-N 278.315 3.884 30 20 CHED C=CCC[C@H](NCc1ccc(CN)cc1)c1ccco1 579593683 DQEBOFIFQVXOKP-INIZCTEOSA-N 270.376 3.535 30 20 CHED N#CC1CCC(CNc2cnc(-c3ccccc3)cn2)CC1 487732498 RYQMMTKYSFRHEN-UHFFFAOYSA-N 292.386 3.885 30 20 CHED Cc1cccc(CN(C)c2ccc([N+](=O)[O-])c(C#N)c2)c1C 488424059 CEJCBCYUGZGWRQ-UHFFFAOYSA-N 295.342 3.720 30 20 CHED N#CCCC[C@H](NC[C@@H]1CCCC[C@@H]1O)c1ccccc1 577955669 CLQGLKGFNBNZNA-BZSNNMDCSA-N 286.419 3.562 30 20 CHED Cc1cc(/C=C2/Cc3ccccc3C2=O)ccc1F 729148998 GLVMHGKTMNGTRU-ZROIWOOFSA-N 252.288 3.957 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1oc(C(C)C)nc1C 821178319 OWMYSUNZEUCDLT-UHFFFAOYSA-N 265.353 3.752 30 20 CHED CC(C)(C)CCCN1CCC[C@@]2(CCCCO2)[C@@H]1C#N 499770929 MQKHXEPMIQIGDA-RDJZCZTQSA-N 278.440 3.740 30 20 CHED C#Cc1ccc(C(=O)OCc2csc3ccccc23)nc1 729012408 PGLRUWKFONPTHQ-UHFFFAOYSA-N 293.347 3.635 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC[C@H]1CC1(Cl)Cl 820539208 NFNIZEQOEKYIDL-ONGXEEELSA-N 265.180 3.716 30 20 CHED Cc1c(NCc2ccc(C#N)o2)cccc1-c1ncco1 491579776 UVYPFTXTEJMPFY-UHFFFAOYSA-N 279.299 3.727 30 20 CHED Cc1ccccc1OC(=O)c1cc2ccccc2n1CC#N 729650768 WQPXEZYULDFPIV-UHFFFAOYSA-N 290.322 3.693 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(-c2csc(C)n2)cc1 572346048 VWFHUZAUBIEZNA-CQSZACIVSA-N 299.399 3.541 30 20 CHED O=C1/C(=C\c2cccc(O)c2)Oc2c(Cl)cccc21 729151845 WHQYODFBYKDDFA-MDWZMJQESA-N 272.687 3.662 30 20 CHED C#Cc1cccc(NC(=S)NCCCc2ccccc2)c1 726436462 ULRMDZYKIAXJGW-UHFFFAOYSA-N 294.423 3.587 30 20 CHED CC(C)CN(CCC#N)C(=O)CCCC(C)(C)C 728862651 DSHOITLNSOFKGR-UHFFFAOYSA-N 252.402 3.601 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2F)Cc2ccccc21 725784704 LXXZTKGIIDAWBZ-LBPRGKRZSA-N 266.319 3.821 30 20 CHED CC(C)(C#N)CCCNc1ccc(F)c(NC(=O)O)c1 826070570 BCRIJMAVXRNVGN-UHFFFAOYSA-N 279.315 3.657 30 20 CHED CC(C)(C)c1nc(CSCc2cc(C#N)ccn2)co1 901816471 ULYOHPLDBWICLK-UHFFFAOYSA-N 287.388 3.672 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)NCc1cccc(C#N)c1 494673445 QKXBELUUVYIKOU-CQSZACIVSA-N 299.418 3.716 30 20 CHED CC(C)(CCC#N)CNC(=O)/C=C\Sc1ccccc1 492923283 ONTVYIUGAIUHGT-XFXZXTDPSA-N 288.416 3.739 30 20 CHED C=CC[C@H](NC(=O)N[C@H]1CC[C@H](C)CC1)c1ccncc1 734669342 UQLFLMGAGUYXTG-BPUTZDHNSA-N 287.407 3.577 30 20 CHED CCc1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)s1 731159970 ZFDHGFKZRWHTQJ-WAYWQWQTSA-N 292.381 3.966 30 20 CHED CC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1 903083038 YNJUAPCTCCFKAF-FRRDWIJNSA-N 268.282 3.550 30 20 CHED C/C=C/C=C/C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 836818172 CGPDSXTTZOMWJQ-BSWSSELBSA-N 284.359 3.806 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C(F)=C(\C)C1CC1 900071448 LZAATQCYKBVKFV-KAMYIIQDSA-N 279.380 3.916 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1cccc(Cn2ccnc2)c1 835269922 PMDKJCYXPLXCOL-OAHLLOKOSA-N 298.386 3.833 30 20 CHED CC[C@@H](N[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1 902920169 SYFKXKRBXHYFBS-UONOGXRCSA-N 264.319 3.787 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(C)nc1Br 904004207 QIWJNKKOWGZVNV-SNVBAGLBSA-N 297.196 3.693 30 20 CHED Cc1ccccc1[C@H](N=c1[nH]ccc(C#N)c1Cl)C1CC1 587977417 VHFAXWHJJIDCHB-MRXNPFEDSA-N 297.789 3.900 30 20 CHED CC(C)[C@@H](NC(=O)C#CC1CC1)c1ccccc1Cl 837422219 RUDWZAYCTHRYJF-MRXNPFEDSA-N 275.779 3.567 30 20 CHED C#CC(C)(C)NC(=O)CCCOc1cccc2ccccc12 733873296 NHFCKGZKVURKAG-UHFFFAOYSA-N 295.382 3.527 30 20 CHED C[C@H]1CCC[C@@H](c2noc(CCCCCC#N)n2)C1 589102656 CUEVRDKVVRDKCP-QWHCGFSZSA-N 261.369 3.990 30 20 CHED C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(F)c(C#N)c2)C1 585740962 GUMKWCBQASZCOT-GFCCVEGCSA-N 294.329 3.536 30 20 CHED C=CCN(C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1)C(C)C 838602058 OWGARGHEDFSLPP-KOMQPUFPSA-N 290.382 3.678 30 20 CHED C=C[C@@H](C)N[C@H]1CCc2ccc(OC(F)(F)F)cc21 675934352 QTTRGILWBLKFIR-RNCFNFMXSA-N 271.282 3.737 30 20 CHED Cc1cnccc1S[C@H](C#N)Cc1ccccc1 590132052 KJVMORQZYWDTCA-AWEZNQCLSA-N 254.358 3.617 30 20 CHED CC(C)CSCCCOC(=O)[C@@]1(C#N)CC12CCCC2 837902991 LWAMUAMOVBCRPL-INIZCTEOSA-N 295.448 3.783 30 20 CHED CCCCCCCCOCC(=O)Nc1cnccc1C 741560983 XZOUIWKPHYJDEY-UHFFFAOYSA-N 278.396 3.706 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 594038298 MOBKJDNOQSGCDP-HZPDHXFCSA-N 298.430 3.988 30 20 CHED CCCC(CCC)=NNC(=S)NCCc1cccs1 839412214 PIUOYBKKDXZIJZ-UHFFFAOYSA-N 297.493 3.711 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1ccc2c(c1)CCCC2 747735845 AXAYYKRQLKECJM-CYBMUJFWSA-N 288.460 3.667 30 20 CHED CC(=NNC(=S)Nc1ccccc1)c1ccccc1F 915923694 MISMMDHCJYEOCZ-UHFFFAOYSA-N 287.363 3.536 30 20 CHED Cc1csc(NC(=O)N2CC[C@@H](C3CCC3)C2)c1C#N 594104906 CRHRCSAUQFHIBY-GFCCVEGCSA-N 289.404 3.582 30 20 CHED CC(=NOCc1cccnc1)c1cc(C)c(F)c(C)c1 746586263 UTJCSSIMXNQFDK-UHFFFAOYSA-N 272.323 3.778 30 20 CHED C=CCOCCSCc1cc(Cl)nc(Cl)c1 842185436 GSXNAEVKRORPDB-UHFFFAOYSA-N 278.204 3.824 30 20 CHED C=C(C)CON=C[C@H](CC1CCC1)NC(=O)OC(C)(C)C 844619421 DIFFAXZPABIKQJ-AWEZNQCLSA-N 296.411 3.648 30 20 CHED CC1=C(C)C[C@@H](C(=O)Oc2ccc(C#N)cc2)CC1 842678216 AKJFPSJPLPZWEB-AWEZNQCLSA-N 255.317 3.600 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc(F)n1 842050275 LGSWJQIMRSQZPS-AWEZNQCLSA-N 267.307 3.582 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CCO[C@H](c2ccncc2)C1 846752869 JDLJRQRDQRWYFZ-AEFFLSMTSA-N 293.370 3.594 30 20 CHED O=C(/C=C\c1coc(-c2ccccc2)n1)c1cccc(O)c1 749885975 HHUJYUVTSRFQIA-KTKRTIGZSA-N 291.306 3.943 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 593404929 ZFOCTBHCNJSEHV-SNVBAGLBSA-N 285.347 3.614 30 20 CHED C=CCCSCCNC(=O)NC(C)(C)c1cccs1 596721404 JYJTWEWKCFFPLN-UHFFFAOYSA-N 298.477 3.592 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 845639856 SOOAUEYQZMYHFZ-MNOVXSKESA-N 282.771 3.549 30 20 CHED CCCCC(COC)=NNc1cc(F)c(F)c(F)c1 747642281 LNWNXPNCPCDBEV-UHFFFAOYSA-N 274.286 3.708 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F 916268969 JJNOPXWBUYYCFF-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C=CCN(C(=O)c1oc2ccc(OC)cc2c1C)C(C)C 915147772 JXMFZNXPIIMCJH-UHFFFAOYSA-N 287.359 3.786 30 20 CHED COCCON=Cc1cccc(-c2ccccc2C)c1 748790952 DSAFQDQRPHFDFT-UHFFFAOYSA-N 269.344 3.659 30 20 CHED COc1ccc(CNC(C)(C)c2cccs2)cc1C#N 742372398 ZFHFPSBXPHTMTJ-UHFFFAOYSA-N 286.400 3.653 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(C(F)(F)F)cc2)s1 749314664 VGXHZOXKJBKMSQ-UHFFFAOYSA-N 297.257 3.858 30 20 CHED CCO[C@@H]1C[C@H](/N=C\c2ccccc2O)C1(CC)CC 749843409 CLLMFRMPKCFFSW-XZGFPNQCSA-N 275.392 3.795 30 20 CHED N#CCN(C(=O)CC1CCCC1)c1ccc(Cl)cc1 592651654 XREAMMYFAYZYAD-UHFFFAOYSA-N 276.767 3.777 30 20 CHED Cc1cc(OC(C)C)ccc1N=Cc1cccc(O)c1O 917557209 ASYQTOOZYCTQOE-UHFFFAOYSA-N 285.343 3.944 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)c1cc(C)c(C)cc1C 915969551 REUHKXPGADYVPO-UHFFFAOYSA-N 298.346 3.751 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc(Cl)c(F)cc1Cl 594090833 GZYUWKDYGOUCCG-SSDOTTSWSA-N 289.137 3.507 30 20 CHED Cc1ccc(-c2nnc([C@H](C)ON=C3CCC3)o2)cc1 748100617 VSYIVPWWLPONGV-NSHDSACASA-N 271.320 3.663 30 20 CHED CCCCCCO[C@@H](C)C(=O)Oc1ccc(C#N)cc1F 841154867 IABBCUFHQGTLNR-LBPRGKRZSA-N 293.338 3.588 30 20 CHED C[C@H](C#N)OCCS[C@H](C)c1ccc2c(c1)CCC2 842185030 XLWCUELWWVEBLZ-CHWSQXEVSA-N 275.417 3.898 30 20 CHED CCCCCCCC(=O)N1C[C@H](C)OC2(CCC2)C1 843736811 PQCLKPLHEZXJBC-AWEZNQCLSA-N 267.413 3.517 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)cc1 741843044 XUPVJPGVNMOXDB-CLFYSBASSA-N 282.339 3.743 30 20 CHED C#C[C@H](OC(=O)c1ccn(C(CC)CC)n1)c1ccccc1 842365277 MCTVNERDLHBULM-KRWDZBQOSA-N 296.370 3.776 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C2\CC[C@@H](C)C2)s1 753640058 KFNQRQLWMJWENQ-UEUZTHOGSA-N 274.389 3.867 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)N[C@H]1CCc2cc(C#N)ccc21 922241382 IBQGZIGIHIASQS-WBMJQRKESA-N 297.402 3.518 30 20 CHED CC(C)O[C@@H](C=NOCC1CCC1)c1ccccc1 853440551 DFFGGKGPPMVHPR-INIZCTEOSA-N 261.365 3.955 30 20 CHED C(=NNc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]1c1ccccc1 755489309 UABDSPZAVJIWSV-UONOGXRCSA-N 276.343 3.764 30 20 CHED N#CC1(C(=O)NCC2CCCCCCC2)CCCCC1 920023042 AVYXKQCAPOQDJZ-UHFFFAOYSA-N 276.424 3.937 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1coc2ccccc12 759362572 PCBSORHOPHFWHD-UHFFFAOYSA-N 295.269 3.801 30 20 CHED C=CCNC(=S)Nc1cccc(CCC(F)(F)F)c1 753959840 FKLTVWYHQLAHHO-UHFFFAOYSA-N 288.338 3.654 30 20 CHED CCCCCCCNC(=O)N[C@@H]1CCOC2(CCCC2)C1 858110459 CRHKVWZFLYOQOX-OAHLLOKOSA-N 296.455 3.748 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 929617489 ADLKASRSFKVDQU-NSHDSACASA-N 294.782 3.839 30 20 CHED C#CC[C@@H](NC(=O)Cc1ccc(CC)cc1)c1ccccc1 757581807 XXLPHIBRCGADHF-LJQANCHMSA-N 291.394 3.672 30 20 CHED C#CCN(CC)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 920061633 ZIUSDCYQIHHXEI-CABCVRRESA-N 278.440 3.504 30 20 CHED C#CCCCCNc1ccc(C(F)(F)F)c(Cl)n1 758473339 LENWDUMOYFUKOD-UHFFFAOYSA-N 276.689 3.969 30 20 CHED C=C(Cl)CSCC(=O)N1CCC[C@H]2CCCC[C@H]21 853783570 MCOAKPIZLOVKCX-CHWSQXEVSA-N 287.856 3.653 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2[C@@H](C)C1 758375271 OZSIIPKEUJXCSC-AWEZNQCLSA-N 269.388 3.901 30 20 CHED CCC(=NNc1ncccc1[N+](=O)[O-])C1CCCCC1 759205971 IHRLZORBSIYMFT-UHFFFAOYSA-N 276.340 3.748 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C1CCC(OC)CC1 851143523 MAQPJCMGOQQDJI-PRLABOORSA-N 280.408 3.870 30 20 CHED CCCCCCCCNC(=O)N[C@@H](C)c1nnc(C)s1 759287733 BFRHUVLHEOTVKZ-NSHDSACASA-N 298.456 3.567 30 20 CHED C=CCCCCCCCNC(=O)C[C@H]1CCCC[C@@H]1O 752988074 ZLFBCKUAHYWQCA-CVEARBPZSA-N 281.440 3.570 30 20 CHED COc1ccc(NN=Cc2cc(Cl)ccc2OC)cc1 750945809 JBOFDYHHVMXXRH-UHFFFAOYSA-N 290.750 3.803 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@]2(C)CC2(Cl)Cl)C1 855437171 SQELWKGVFIMVJO-AAEUAGOBSA-N 290.234 3.775 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2ccc(O)cc2O)c1 757471614 HMHFHMRNOLHCSS-YVMONPNESA-N 268.312 3.611 30 20 CHED Cc1cccc(CC(=NO[C@H]2CCCCO2)C2CC2)c1 755823612 MPVLAYLZJVPSLQ-KRWDZBQOSA-N 273.376 3.847 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cc(Cl)ccc1F)OCC 756562933 RQICJYAHVXVZTQ-LBPRGKRZSA-N 286.730 3.756 30 20 CHED CCOC1CCC(Nc2ccccc2O[C@@H](C)C#N)CC1 850458817 UYZRHMRYCCZFCP-NFOMZHRRSA-N 288.391 3.737 30 20 CHED Cc1cc(C(=O)OCc2ccc(F)c(C#N)c2)ccc1F 758943387 BOGOENAIBPQWBY-UHFFFAOYSA-N 287.265 3.502 30 20 CHED N#CCCCCOC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 756373645 YGQZAQXTAVZROQ-QLFBSQMISA-N 263.381 3.830 30 20 CHED C=CCC1(NCc2cccc(Cl)c2C)CCOCC1 865626103 JBVIFDQBORYTQW-UHFFFAOYSA-N 279.811 3.863 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1ccc([N+](=O)[O-])cn1 766696350 RAWDQTVEUVMNBJ-NSHDSACASA-N 296.330 3.622 30 20 CHED C=CC[C@H](N[C@@H](C)c1cnn(C(C)C)c1)c1ccncc1 766022445 VZNXBLCWXQWCIT-YOEHRIQHSA-N 284.407 3.827 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ncc(-c2ccccn2)s1 935919210 ZFESJZBXNZHNNR-NSHDSACASA-N 287.388 3.746 30 20 CHED COc1cc(C)c(C(C)=NNc2cccc(C)n2)cc1OC 863160242 WGCCPJFVHJRFDR-UHFFFAOYSA-N 299.374 3.552 30 20 CHED Cc1cccc2oc(C(=O)NCC3CCC(C#N)CC3)cc12 935816301 HKHUUTYHLDOSHM-UHFFFAOYSA-N 296.370 3.801 30 20 CHED Cc1ccc(C(F)(F)C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 766580893 DWXZECIFFSTHSC-HNNXBMFYSA-N 294.345 3.531 30 20 CHED CCC(C#N)(CC)C(=O)OCCSc1ccccc1 860198516 XAIUVFPXYYWVGA-UHFFFAOYSA-N 277.389 3.652 30 20 CHED CO[C@H](C)C(C)=NN[C@H](C)c1ccc(C(C)C)cc1 763170011 ZRHHKUDJXMBNKA-ZIAGYGMSSA-N 262.397 3.871 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(F)cc1 766772546 UCDLCXUQFSHCDL-YVMONPNESA-N 255.292 3.679 30 20 CHED CC(C)(C(=O)NCc1ccc(C#N)cc1)C1CCCCC1 766330673 CFGQNPXTRVXNFX-UHFFFAOYSA-N 284.403 3.781 30 20 CHED CCCC(=NNc1cnn(C)c1)c1cc(C)sc1C 863110555 VMFRDSFCDZNYID-UHFFFAOYSA-N 276.409 3.715 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)(F)F)C1 761048708 GFXNYHNHVHEOLJ-ZWNOBZJWSA-N 268.282 3.503 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1117701685 XKTOBEPMBKDXDB-LSDHHAIUSA-N 278.440 3.810 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CC[C@H](CO)C1 775552647 JKIZKYSGNCWFEK-CVEARBPZSA-N 283.456 3.604 30 20 CHED C#CCOc1ccccc1NCc1cnc2ccccc2c1 775362475 VBBWOYPVNKFJAY-UHFFFAOYSA-N 288.350 3.859 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2C[C@@]2(C)C(C)C)c1 772965669 APRFGAHKLMNQGQ-WMZOPIPTSA-N 269.388 3.703 30 20 CHED C=C1CCN(Cc2coc(-c3ccccc3OC)n2)CC1 878087730 WJDXSNOGXZUWSZ-UHFFFAOYSA-N 284.359 3.502 30 20 CHED C#CCOc1ccccc1NC(=O)N(CCC)CC(C)C 776094721 IBXOGJALUQNPNZ-UHFFFAOYSA-N 288.391 3.599 30 20 CHED N#CCc1ccccc1CC(=O)OC/C=C/c1ccccc1 777168290 YMIJHLFQDBPWQV-RMKNXTFCSA-N 291.350 3.552 30 20 CHED CCCCCCOc1cccc(C=NNC[C@@H](C)C#N)c1 771113010 RFJWQDRNLRNVDO-HNNXBMFYSA-N 287.407 3.729 30 20 CHED N#CCc1ccc(COC(=O)/C=C\c2cccs2)cc1 776113996 VDJSXFGKZLNETC-FPLPWBNLSA-N 283.352 3.571 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1[C@H]1C=CCCC1 76152817 KTALXDLCGMKWAQ-RCCFBDPRSA-N 266.388 3.867 30 20 CHED C#CCN(C(=O)/C=C(/C)Cl)[C@H]1CCCc2ccccc21 887230406 NLVKKTHJRUYIJI-AHKFDXCISA-N 287.790 3.668 30 20 CHED Clc1ccc2c(c1)C(=NNc1ccc3[nH]ncc3c1)CC2 779816335 IPVVSOIBIKHYDB-UHFFFAOYSA-N 296.761 3.979 30 20 CHED C(=NOC1CCCC1)c1ccccc1OCc1ccncc1 774609228 VFVADTJXSICBPZ-UHFFFAOYSA-N 296.370 3.954 30 20 CHED N#C[C@H](OC(=O)c1ccnc(C2CC2)c1)C1CCCCC1 783244089 BVSUCRCWIBVUAU-INIZCTEOSA-N 284.359 3.588 30 20 CHED N#Cc1ccc(NN=Cc2cc(F)cc(F)c2)cc1Cl 783876941 GHTFBRGLGLLDCW-UHFFFAOYSA-N 291.688 3.936 30 20 CHED N#Cc1ccc(F)c(CNC2CC(c3cccc(F)c3)C2)c1 783572624 GWRMVKLRWAGAHD-UHFFFAOYSA-N 298.336 3.872 30 20 CHED Cc1cc(C=NNc2c(F)cccc2F)cc(Cl)n1 788716700 IYIVBNSKXYXEEM-UHFFFAOYSA-N 281.693 3.768 30 20 CHED CC1(C)C[C@H](NN=Cc2ccc(-c3ccccc3)o2)CCO1 780249010 DPLSAUVPWJGSHY-OAHLLOKOSA-N 298.386 3.828 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1ccc(F)cc1 899336302 RWFDQBBRMJLBKO-RUDMXATFSA-N 270.307 3.643 30 20 CHED C#CCC1(C(=O)OCc2ncc(C(C)C)o2)CCCCC1 788217116 DSXWIUIVIPWEHK-UHFFFAOYSA-N 289.375 3.815 30 20 CHED C=C1CC(c2noc(COc3cc(C)ccc3F)n2)C1 896883352 OUUWFHCQVTXFAY-UHFFFAOYSA-N 274.295 3.530 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1csc(C(C)C)n1 780249127 FWEXRRJQEWOJSE-LBPRGKRZSA-N 295.452 3.538 30 20 CHED CC[C@H](C#N)OC(=O)c1ccccc1COc1ccccc1 781141565 LPARWWCZRXZPCW-OAHLLOKOSA-N 295.338 3.725 30 20 CHED C=CCCN(C)Cn1nc(-c2ccccc2)sc1=S 786101716 OABUDQWIJGFOEW-UHFFFAOYSA-N 291.445 3.806 30 20 CHED C[C@H](CC=NNc1ccnc(F)c1)c1ccccc1 781133682 GIWBKXGRHIURCE-GFCCVEGCSA-N 257.312 3.812 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1O[C@@H](C)C#N 785916697 IBCZDSBTCWLPLL-KBPBESRZSA-N 299.374 3.550 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(Cl)c(C#N)c1 784687408 LWRUHNGRHVDXIW-UHFFFAOYSA-N 290.750 3.698 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 784877750 LMEZRFLGXYVUIA-ABAIWWIYSA-N 277.320 3.801 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCCC2)cc1 785488886 KABHOFSRAKCZEV-QGZVFWFLSA-N 272.392 3.828 30 20 CHED N#CCN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccccn1 892477337 RWWARGMTEFQURE-OWCLPIDISA-N 297.402 3.545 30 20 CHED CCC(=NN[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 793113598 AZOAGUMZYYSANX-GFCCVEGCSA-N 257.381 3.697 30 20 CHED CCOc1c(Cl)cccc1C=NNc1cccc(F)n1 795006712 RZLKRAKEGNIWCM-UHFFFAOYSA-N 293.729 3.719 30 20 CHED Cc1cccc([C@@H](C)OC(=O)c2cc(C#N)oc2C)c1 797886160 IDPZNAIBWYMEMK-LLVKDONJSA-N 269.300 3.686 30 20 CHED CCOc1ccccc1C(C)=NNc1cccc(Cl)n1 793173450 AGZPRQMXWGOAFL-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CC(=NNc1ncccc1C)c1cc(F)ccc1F 790193546 HIDCEPKDUGXFND-UHFFFAOYSA-N 261.275 3.504 30 20 CHED CCC[C@@](C)(CC)C(=O)Oc1ccc(C#N)cc1OC 796533252 RFGKLJSGVKLQQR-MRXNPFEDSA-N 275.348 3.689 30 20 CHED N#Cc1ccc(CCNC(=O)Nc2ccccc2Cl)cc1 1202068880 PHFNCTAZNKMSFH-UHFFFAOYSA-N 299.761 3.576 30 20 CHED CC(C)C(CN1CCN(c2ccccc2C#N)CC1)C(C)C 1205201640 RFKKHMCOAUZJLI-UHFFFAOYSA-N 299.462 3.608 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1cccc(C(C)=O)c1 799440980 PTYFNNFMJDNYBR-UHFFFAOYSA-N 293.322 3.542 30 20 CHED Cn1ccnc1NN=Cc1ccc(-c2ccccc2)cc1 790300969 CVSDERPEZXCKNM-UHFFFAOYSA-N 276.343 3.533 30 20 CHED C=C[C@@H](CC(=O)Nc1n[nH]c(C)c1Cl)c1ccccc1 790994702 MJXIQJMPRTWLQS-NSHDSACASA-N 289.766 3.670 30 20 CHED C[C@@H](NN=Cc1c[nH]c2ccc(F)cc12)C(C)(C)C 793117532 XIRFEWLYOXHWFD-SNVBAGLBSA-N 261.344 3.665 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)CCN3C)oc1C 799898183 WBYGVUJAMZNQGI-ALCCZGGFSA-N 281.355 3.785 30 20 CHED C#CCCCCNC(=O)Nc1cccc(C(F)(F)F)c1 134055646 KTXAZHDSGIMZQS-UHFFFAOYSA-N 284.281 3.630 30 20 CHED C[C@H](NC(=O)c1cccc(C#N)c1)C1CCCCCC1 1515018452 AIHUIZHBSVCBDA-ZDUSSCGKSA-N 270.376 3.647 30 20 CHED COCCN(CCC1(C#N)CCCCC1)[C@H]1CC[C@H](C)C1 1307737771 WYKXIMOLALIHCV-IRXDYDNUSA-N 292.467 3.988 30 20 CHED C=C(Cl)Cn1c(CC(C)C)nnc1N1CCCCCC1 1301045336 STBCWUCAEMHNEA-UHFFFAOYSA-N 296.846 3.610 30 20 CHED CCCCCCCCNC1CCN(C(C)C)CC1 59055211 MUNYAVMZCJLXEV-UHFFFAOYSA-N 254.462 3.809 30 20 CHED C[C@H](O)CSCc1ccc(-c2ccccc2C#N)cc1 1166791295 XWFKAKYFWOAWBT-ZDUSSCGKSA-N 283.396 3.839 30 20 CHED N#CCCCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 1168430957 PHHXUYJJYHEVCL-UHFFFAOYSA-N 287.241 3.719 30 20 CHED N#Cc1c(F)cccc1Oc1nc2cccc(F)c2o1 1162839005 TVMGZGDBVXEMHD-UHFFFAOYSA-N 272.210 3.770 30 20 CHED N#CCN(Cc1cccc(Br)c1Cl)C1CC1 411209092 BDSVLOCOWLKUKQ-UHFFFAOYSA-N 299.599 3.590 30 20 CHED Cc1cccc2c1CN(CCCC(C)(C)C#N)CC2 277077645 FAYUNTMNMICGLT-UHFFFAOYSA-N 256.393 3.683 30 20 CHED Cc1csc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1Cl 278050955 VQJHOIAUTDJDHM-SNVBAGLBSA-N 296.823 3.864 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 593394489 KCAIHPSKPQEVKC-FZMZJTMJSA-N 278.783 3.703 30 20 CHED CC(C)Cc1ccccc1C(=O)OCc1ccc(C#N)cn1 1320790416 TVUFLKQYGIBYQQ-UHFFFAOYSA-N 294.354 3.509 30 20 CHED Cc1nc2ccccc2c(C(=O)OCC2(CC#N)CC2)c1C 1327483084 KLESIGMQDPRNGJ-UHFFFAOYSA-N 294.354 3.702 30 20 CHED N#Cc1ccc(COC(=O)CCC2CCCC2)s1 1329974661 WEPQCHXNRMMIPP-UHFFFAOYSA-N 263.362 3.633 30 20 CHED C(=NNC1CCCCC1)c1ccc(N2CCCC2)cc1 1323948346 JACOXUUQRIGIDF-UHFFFAOYSA-N 271.408 3.543 30 20 CHED CC/C(=C\C(=O)OCC1(CC#N)CC1)c1ccc(OC)cc1 1327458710 BTIHKVBMHHJVAJ-WYMLVPIESA-N 299.370 3.726 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)CC1 87833437 VAKJVNWLJHWYJT-CQSZACIVSA-N 272.392 3.579 30 20 CHED N#Cc1cc(Cl)c(C(=O)N[C@H]2C=CCCC2)c(Cl)c1 1324503041 SGRYBHSOTTWHAU-JTQLQIEISA-N 295.169 3.704 30 20 CHED C=CC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 768541895 MOKBEDXCTITEKL-UHFFFAOYSA-N 280.755 3.646 30 20 CHED Cc1cc(C#N)nc(Nc2cccc(COC(C)(C)C)c2)n1 1187773170 GFWFVQLHBJPWMF-UHFFFAOYSA-N 296.374 3.715 30 20 CHED Cc1ccc([C@H](C)Nc2cccc(CC#N)n2)s1 1255096731 WKUIRRRIONAARZ-NSHDSACASA-N 257.362 3.691 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)c1cccc(C#N)c1 97987302 ODCOJHMMWMJLSC-NSHDSACASA-N 265.291 3.742 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc(Cl)c(Cl)c1 1262819014 HCCXYDVVPBNXGH-LLVKDONJSA-N 299.201 3.959 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)/C=C\c1nccs1 1263520586 KRTXLSCSGLYGLH-MPBQIQEOSA-N 277.389 3.834 30 20 CHED CC[C@H](C)c1nnc(/C=C/c2ccccc2C#N)o1 1345855417 OLHCEAQGUVEEHH-FBOQAHMBSA-N 253.305 3.625 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)Nc1ccc(C#N)cc1 1196400818 YFBFEHIMQLATIM-UHFFFAOYSA-N 293.370 3.839 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)O[C@@H]1CC[C@@H](C#N)C1 1344058907 OTTGEJACMDSNCW-BFYDXBDKSA-N 285.387 3.799 30 20 CHED N#CCc1ccc(NC(=O)c2cc3ccncc3s2)cc1 1353514870 PHEOKFKRWNRTTP-UHFFFAOYSA-N 293.351 3.615 30 20 CHED Cc1cccc2c1CCCN2C(=O)c1cc(C#N)ccc1F 1521477648 WMRINLSFOIWTKJ-UHFFFAOYSA-N 294.329 3.599 30 20 CHED Cc1cc(NCc2ccc(C#N)c(F)c2)nc(C2CCC2)n1 1458432481 ROKMCPQZSJKOJQ-UHFFFAOYSA-N 296.349 3.675 30 20 CHED C[C@@H](OC(=O)c1csc(C#N)c1)c1ccc(Cl)cn1 1523049904 QJMQOCIEWUGFJP-MRVPVSSYSA-N 292.747 3.586 30 20 CHED C=C[C@@H](CC)CC(=O)OCCC[C@@H]1CCCCC1=O 1525784745 ZUSSECFAFFXWOH-KBPBESRZSA-N 266.381 3.671 30 20 CHED CC(C)(NCC1(CC#N)CC1)c1cccc(Cl)c1F 1459994173 INFHESZTUNWVJJ-UHFFFAOYSA-N 280.774 3.998 30 20 CHED Cc1cc(C)c(CC(=O)O[C@H]2CCC[C@H](C#N)C2)c(C)c1 1528081601 OWGVRVURPAMUPM-HOTGVXAUSA-N 285.387 3.780 30 20 CHED Cc1ccc(N(C)CCOc2ccccc2C#N)c(F)c1 1460238553 DGQWOMSWLXZKNJ-UHFFFAOYSA-N 284.334 3.521 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 1465800444 OGKGMEJQOQSEQE-FZMZJTMJSA-N 289.354 3.788 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1466957282 QPOVGNMVSSLFLI-DLBZAZTESA-N 284.403 3.578 30 20 CHED N#Cc1ccc(CCOc2cc(Cl)ccc2F)cc1 1613562000 CFMYWZWRMPVTGT-UHFFFAOYSA-N 275.710 3.972 30 20 CHED Cc1csc(CSc2ccc(C#N)c(C)c2)n1 1559428869 AAEVVEWVQONIJP-UHFFFAOYSA-N 260.387 3.924 30 20 CHED Cc1nsc(S[C@@H]2CCOc3ccccc32)c1C#N 1642417573 SRXZOAHDPDWBNV-CYBMUJFWSA-N 288.397 3.939 30 20 CHED CC[C@@H](CC#N)NC/C=C\c1c(C)cc(C)cc1C 1657118794 OALYJDUSOQBZFN-WLMCBFPDSA-N 256.393 3.907 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1cccc(C(C)(C)C(=O)O)c1 1588682840 QZYHTMHPHPBAHB-QGZVFWFLSA-N 290.359 3.557 30 20 CHED Cc1ccc([C@@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1652293651 JNMNSICXLWVHKZ-DNVCBOLYSA-N 294.398 3.593 30 20 CHED Cc1cc(CN2C[C@@H](C)Oc3ccccc32)ccc1C#N 1659345723 MOEDHOKUEKGXLT-CQSZACIVSA-N 278.355 3.654 30 20 CHED Cc1nc(SCCc2ccc(C#N)cc2)sc1C 1656318290 XDQUSRISTOPMNM-UHFFFAOYSA-N 274.414 3.966 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1Nc1ncc(C#N)cc1F 1650821248 SASRCCMAKHSWOR-ZWNOBZJWSA-N 261.344 3.719 30 20 CHED Cc1cc(CSc2ccc(C#N)c(C)c2)ccn1 1652911594 CUKHBKUXHONZNE-UHFFFAOYSA-N 254.358 3.862 30 20 CHED Cc1ccc(C#N)cc1NCc1cc(O)cc(Cl)c1 1651186496 PWIQMFWXLGIBBX-UHFFFAOYSA-N 272.735 3.838 30 20 CHED COc1cc(C)ccc1CNc1cccc(OCC#N)c1 1658799660 IDTJKZHSXVAFKM-UHFFFAOYSA-N 282.343 3.518 30 20 CHED CCCC(CCC)Sc1ccc(C(=O)O)nc1C#N 1595586496 BNRPKGHZCRLJOG-UHFFFAOYSA-N 278.377 3.712 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2ccccc2Cl)s1 1776115477 ZQWDFBUHZIGZQR-FNORWQNLSA-N 292.743 3.996 30 20 CHED C=C[C@H]1CCCN(c2c(C(=O)O)cnc3ccc(C)cc23)C1 1776150301 IWFVBEXLOMHVJV-ZDUSSCGKSA-N 296.370 3.644 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@@H](C)CC(C)C)CC1 1776168403 JVKLWLBBUFYCTL-HNNXBMFYSA-N 281.440 3.802 30 20 CHED C=C(CNC(=O)N1CC[C@@H](C2CCCC2)C1)c1ccccc1 1683121761 QOSLZKRHDKYXEE-GOSISDBHSA-N 298.430 3.922 30 20 CHED C=CCCCN(C)[C@H](C(=O)O)c1ccc(F)cc1Cl 1776174053 WXNHHSSYKROJLO-ZDUSSCGKSA-N 285.746 3.503 30 20 CHED CC(C)C(=NNc1ccc(C(=O)O)nc1)C1CCCCC1 1776069823 FRMVQWMYPOJPDP-UHFFFAOYSA-N 289.379 3.784 30 20 CHED Cc1ccc(C)c(SCC(=O)Nc2ccc(C#N)cc2)c1 18229672 AFJPIAFKMOIIQZ-UHFFFAOYSA-N 296.395 3.906 30 20 CHED Cc1cc(C(=O)Oc2ccc(C#N)cc2F)c(F)cc1F 158241395 CPNFIOSCEDXRBM-UHFFFAOYSA-N 291.228 3.503 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2ccc([N+](=O)[O-])cn2)cc1 160302345 PNHNIXOZYLDUPQ-CQSZACIVSA-N 299.355 3.525 30 20 CHED CC1(C)CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1(C)C 160538469 PATIPPAYQBZUKX-HNNXBMFYSA-N 299.418 3.861 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1Cl 157620940 LYTTXFIKZNANJA-XHDPSFHLSA-N 288.778 3.616 30 20 CHED Cc1c(F)cccc1NC(=O)c1ccc(C#N)c(Cl)c1 157825896 VRQUZNKKYCGCIM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCO[C@H](c2ccccc2)C1 154233948 VQHJXYNTPSJJGW-KLHWEVKASA-N 281.355 3.731 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 154298783 YOZPCRACYMXSHQ-GXFFZTMASA-N 276.767 3.520 30 20 CHED C#CCCCCNC(=O)c1ccc(-c2ccccc2F)o1 156499783 PKPQNRARBFMBBE-UHFFFAOYSA-N 285.318 3.619 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(F)c1F 156862483 QVNRXBFXDIRKOF-UHFFFAOYSA-N 267.319 3.783 30 20 CHED Cc1cc(C#N)ccc1NC[C@H](c1cccs1)N(C)C 846745630 LFMWZZNDHUKIIX-OAHLLOKOSA-N 285.416 3.643 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2cccc(C#N)c2F)C1 223522245 HSWKHTRIRWLLHT-IUODEOHRSA-N 260.356 3.708 30 20 CHED C[C@H](CCc1ccc(O)cc1)NCC(C)(C)CCC#N 229689111 RZTNTNQEMNBCIL-CQSZACIVSA-N 274.408 3.633 30 20 CHED N#Cc1ccc(OCc2csc(C3CC3)n2)c(F)c1 126935585 MHYSZIZMJKPWIR-UHFFFAOYSA-N 274.320 3.610 30 20 CHED C[C@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 37306343 DNRCQSZLYOUFDE-JTQLQIEISA-N 268.282 3.813 30 20 CHED COc1ccccc1N(C)Cc1ccc(C#N)cc1C 165469896 ZWXVDAYSZKQIQG-UHFFFAOYSA-N 266.344 3.512 30 20 CHED CCCOc1ccc(NC(=O)C(C#N)(CC)CC)cc1 51786438 KLDYXLBHZSTRJC-UHFFFAOYSA-N 274.364 3.744 30 20 CHED N#Cc1cccc(CNc2cc(F)c(F)cc2F)c1 61092972 OYEDRCUSBKHUPG-UHFFFAOYSA-N 262.234 3.588 30 20 CHED Cc1nc(C#N)cc(Oc2ccc3ccccc3c2)n1 308278851 MTIXHMMMDVWWDR-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CCCCCCCCNC(=N)NCc1ccccc1 309875489 HYDMQBRUZBBJGI-UHFFFAOYSA-N 261.413 3.661 30 20 CHED CCC[C@H](Nc1ccc(C#N)nc1)c1ccccc1 80945253 RYOSERSBLCLOMJ-INIZCTEOSA-N 251.333 3.907 30 20 CHED C[C@@H]1CC[C@@H](Nc2cccc(OCC#N)c2)[C@H](C)C1 85097798 CCNFIIANVHYXST-XJKCOSOUSA-N 258.365 3.826 30 20 CHED CCN(CCC1CC1)c1nc(C)c(C#N)cc1Cl 360048476 VNBWLHUMJSEGJJ-UHFFFAOYSA-N 263.772 3.542 30 20 CHED N#Cc1ccc(Cl)cc1N1CCCC2(CCC2)C1 480365596 VLSXYMABQLBAED-UHFFFAOYSA-N 260.768 3.982 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)s2)n1 385094955 YQRWOGQLSISPEX-KOLCDFICSA-N 273.361 3.963 30 20 CHED N#Cc1cc(F)cc(OCc2c(F)cccc2F)c1 388914606 VXIJCJVKDVGQGY-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C=CCCNCc1ccc(NC(=O)OC(C)(C)C)cc1 877623645 VWHABPRQWULIDR-UHFFFAOYSA-N 276.380 3.699 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)CC 413823631 MVSYOCJKHXSZIE-HOCLYGCPSA-N 274.408 3.614 30 20 CHED Cc1ccccc1C(C)(C)C(=O)Nc1ccc(C#N)cc1 58609526 BSZBEGPLOUSDPZ-UHFFFAOYSA-N 278.355 3.783 30 20 CHED N#C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(Cl)cc1 106420977 WPEDRKWMVWRIDF-SNVBAGLBSA-N 295.125 3.581 30 20 CHED CC(C)(CCC#N)CNCc1cccc(C2CC2)c1 421360046 YMAVRRRJIJOTCS-UHFFFAOYSA-N 256.393 3.984 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 119327489 JJOBZWTVBJPFPM-SJORKVTESA-N 294.483 3.680 30 20 CHED C[C@@H](CNCc1cc(C#N)cs1)Cc1cccs1 177706122 AQCTTWHAHXPBMF-LLVKDONJSA-N 276.430 3.650 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccccc1OC(C)C 64926128 IGBDCHUZKJCGLF-ZHACJKMWSA-N 298.386 3.720 30 20 CHED C#Cc1cccc(N(C)Cc2ccc(OC(F)F)cc2)c1 303208964 QOLGVWDSGXBWPJ-UHFFFAOYSA-N 287.309 3.906 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@H]1CNc1c(C#N)cccc1C#N 302873801 DLGOXRKGTXXIKT-DOTOQJQBSA-N 297.402 3.683 30 20 CHED C#CCCCOC(=O)c1cccc(Cl)c1Cl 170712400 HOULTFWGMBJACG-UHFFFAOYSA-N 257.116 3.564 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(F)ccc1O)c1ccccc1 179646884 RJLJFBFXHCBLMQ-LBPRGKRZSA-N 285.318 3.830 30 20 CHED C=CCOCCSCc1csc(-c2ccco2)n1 419378949 WAOGFYIWNSPIJU-UHFFFAOYSA-N 281.402 3.839 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 301456177 RXNGRGDATXXFPE-CQSZACIVSA-N 288.354 3.917 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccc[nH]2)cs1 188068273 MWDNBQVBMYXZJP-CQSZACIVSA-N 275.377 3.679 30 20 CHED N#CCC[C@H](C#N)CN[C@@H](c1ccc(F)cc1)C1CCC1 119901389 COJYRIFFHXPTPT-CXAGYDPISA-N 285.366 3.700 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1c1ccccc1OC 175546103 JHRXEIOAIOAALB-OAHLLOKOSA-N 273.376 3.715 30 20 CHED CCC(CC)[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)CCO1 302020673 DQFVCPSEHUHHNF-IRXDYDNUSA-N 272.392 3.954 30 20 CHED COc1ccccc1C(C)(C)NCc1ccc(C#N)s1 176962184 OQHFUBWIRRULCZ-UHFFFAOYSA-N 286.400 3.653 30 20 CHED C[C@H]1CCC[C@H](C)N(c2nc(C(F)(F)F)ccc2C#N)C1 301437864 SNDBAORQIJKKCM-QWRGUYRKSA-N 297.324 3.987 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)Cc2cc(F)ccc21 114992271 IDTDORZYSXHIKZ-RIYZIHGNSA-N 280.298 3.583 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(F)c(Cl)c1 116996863 OYANHUJBLDGMKC-MRVPVSSYSA-N 256.708 3.565 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CCc2ccoc2)cc1 177116874 DDFHXFMVZDDZMX-UHFFFAOYSA-N 282.343 3.652 30 20 CHED C[C@@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 301764862 CRWMCCCOFKYGNT-ZDUSSCGKSA-N 295.342 3.900 30 20 CHED Cc1nnc([C@H](C)O/N=C/c2ccc(C(C)C)cc2)o1 174089414 CDDGMHOACLRZHM-UJFYRASASA-N 273.336 3.613 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1c1c(C#N)cccc1C#N 302910868 ZHWVVWWOZTXFQM-RDTXWAMCSA-N 287.366 3.812 30 20 CHED C=C(Cl)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C 67458472 FAYKCUKCTKWIRT-UHFFFAOYSA-N 268.744 3.558 30 20 CHED Cc1cc(C/N=C(/N)Nc2ccccc2)ccc1Cl 305808974 HZQJPVSPQZGDHS-UHFFFAOYSA-N 273.767 3.575 30 20 CHED CC(=O)Nc1ccc(CNc2c(Cl)cccc2C#N)cc1 174676156 GTVLFWMMXJZYQT-UHFFFAOYSA-N 299.761 3.782 30 20 CHED Cc1ccc(CN(C)c2ccc(Cl)c(C#N)n2)s1 67371793 ASLHZUXYKNFOHP-UHFFFAOYSA-N 277.780 3.613 30 20 CHED CCCCC1CCC(Nc2nccnc2C#N)CC1 301178206 MCUXUDGFXMFPNQ-UHFFFAOYSA-N 258.369 3.509 30 20 CHED C=CCn1c(S[C@H]2CCCCC2=O)nc2ccccc21 66276250 DWRJFOOCUNQHLP-HNNXBMFYSA-N 286.400 3.826 30 20 CHED C#Cc1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 39547738 YMMMKESLKXKUGS-UHFFFAOYSA-N 283.758 3.893 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cc2c(s1)CCCC2 122308382 MCOHXOMMBPYOTA-LLVKDONJSA-N 262.422 3.827 30 20 CHED CCCCCCCN1CCC[C@@H]1[C@H]1CCC[C@H]1O 253087946 DTJGAHTYANNDBC-BZUAXINKSA-N 253.430 3.582 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1-n1ccnc1 122838296 DLMIJBQGALLRND-UHFFFAOYSA-N 281.359 3.579 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1 121592785 RGGNAYGOIFKKMD-HUUCEWRRSA-N 292.423 3.803 30 20 CHED C[C@H]1CC(C)(C)CN1c1cc(C(F)(F)F)cnc1C#N 413564229 TZSNSNLMUICJMR-VIFPVBQESA-N 283.297 3.597 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1(C)CCCC1 413981404 DRSVQAAGXYIWRL-MRXNPFEDSA-N 271.404 3.870 30 20 CHED CCCNc1ccc(CNc2ncc(C#N)cc2F)cc1 413256118 ABBZKYAHXCUVLZ-UHFFFAOYSA-N 284.338 3.526 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H]2C1)c1ccccc1 126247722 KHIHMGVOJRYJDZ-USXIJHARSA-N 269.388 3.605 30 20 CHED Cc1c(N[C@H]2CCC[C@@H](C#N)C2)cnn1-c1ccccc1 185891297 XIXKRPVPCUZPNH-CABCVRRESA-N 280.375 3.675 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc(C)c(C)cc1Cl 410832583 DJAHSBOKTQSOPM-LBPRGKRZSA-N 278.783 3.721 30 20 CHED CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@H](C)C(C)C 74917264 IZXIWTAEZNMYKQ-ZIAGYGMSSA-N 287.407 3.695 30 20 CHED C=C[C@H]1CCCCN1CCC(=O)Nc1cccc(Cl)c1 489404730 MVCMPOUKDXSPAU-HNNXBMFYSA-N 292.810 3.709 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)NCC2(C#N)CCC2)c(C)c1 419639912 HYRDOZYBZLYXJX-OAHLLOKOSA-N 299.418 3.700 30 20 CHED C=CCCC(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 72080136 YJZZOYDTDYFCJD-UHFFFAOYSA-N 298.313 3.928 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 182141287 IVSISAYUPHJGPA-ZIAGYGMSSA-N 288.391 3.988 30 20 CHED CCCc1ccc(S(=O)(=O)/N=C(\O)CCC(C)C)cc1 45098661 VLVAUCOVUDCYGL-UHFFFAOYSA-N 297.420 3.721 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](Cc1ccccc1)C1CC1 77646426 GSYCAXDATWYGDD-KRWDZBQOSA-N 286.419 3.615 30 20 CHED CC[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCS1 135263054 ADQDHUDPNDGIPD-OAHLLOKOSA-N 288.460 3.815 30 20 CHED CCCCOc1ccccc1CN(CC)CCC#N 136152242 QJSUNOVPFAEHDH-UHFFFAOYSA-N 260.381 3.601 30 20 CHED CCCCN(C(=O)NC[C@@H](C)C#N)[C@H](C)c1ccccc1 182765568 MOZPDICRVUUNFK-LSDHHAIUSA-N 287.407 3.719 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C/c3cncs3)c2c1 130079786 LVCAMCCJEWQGGT-HWKANZROSA-N 284.340 3.529 30 20 CHED CCn1cc(/C=C2/CSc3cc(C)c(C)cc3C2=O)cn1 186455282 BVNIYQLPDYZRMH-AUWJEWJLSA-N 298.411 3.892 30 20 CHED CSCCCCCCN[C@H]1CCC[C@@H](C#N)C1 185897084 CZAOJVZHTYZOPK-KGLIPLIRSA-N 254.443 3.582 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc21 412841251 OQBMOIBLBUHCFK-IEBWSBKVSA-N 291.394 3.630 30 20 CHED Cc1ccccc1-c1noc(Cc2ccc(C#N)cc2)n1 226659258 YFUIIIXNJDHLNK-UHFFFAOYSA-N 275.311 3.508 30 20 CHED COc1ccc(C#N)cc1CSCCC1CCOCC1 419483792 VKHGMCRWBAPNCE-UHFFFAOYSA-N 291.416 3.617 30 20 CHED COc1ccccc1COc1cccc(N[C@@H](C)C#N)c1C 133129510 KRBUCRKRBADAJK-ZDUSSCGKSA-N 296.370 3.907 30 20 CHED CC[C@@H]1CCCN1/C(O)=N/Cc1cc(-c2ccccc2)no1 328888787 QIPQWVVOOFCWLD-CQSZACIVSA-N 299.374 3.630 30 20 CHED OC(=Nc1ccc(F)cn1)c1coc(C2CCCC2)n1 328789660 KWHKTYHHKHRBNZ-UHFFFAOYSA-N 275.283 3.503 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(Cl)cc1OC 421841609 JBZUJEJBVJZIMJ-LBPRGKRZSA-N 283.799 3.592 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 425610249 LQSWFQWLZBCPFI-HRCADAONSA-N 299.418 3.698 30 20 CHED CC[C@H]1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 513135602 LXLMGFXUKJLMKW-AWEZNQCLSA-N 279.428 3.538 30 20 CHED C[C@@H]1CC[C@H](C(O)=Nc2cccc3c2CN=C3O)C1 329270589 IWPICZVHAQFEMT-ZJUUUORDSA-N 258.321 3.529 30 20 CHED C=CCN(CCC#N)[C@H]1CCCc2ccc(F)cc21 428860280 FPTNEFHQLLSZHT-INIZCTEOSA-N 258.340 3.605 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1cccc(Cl)c1 83079848 LYDMTPWHJUTOTJ-GOSISDBHSA-N 283.824 3.919 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cc(F)ccc2F)s1 134500704 PBTOHLLAKJSAHN-ORCRQEGFSA-N 275.279 3.794 30 20 CHED COc1cccc(/C=C/C(=O)c2cccc(F)c2)c1F 195501843 RIPXDYHDFHGVDI-CMDGGOBGSA-N 274.266 3.870 30 20 CHED Cc1cccc(CCCSc2nnc(C)c(C)c2C#N)c1 511863379 OVVDUYARNZAJKW-UHFFFAOYSA-N 297.427 3.998 30 20 CHED CC(C)(C#N)CNC(=O)N1CCCC2(CCCCC2)CC1 512784795 XQUQVOAIHFXDOZ-UHFFFAOYSA-N 291.439 3.682 30 20 CHED N#C[C@H]1CC[C@@H](NCc2c(Cl)cccc2Cl)C1 424200210 RBLBSZJVAWQIDM-VHSXEESVSA-N 269.175 3.775 30 20 CHED N#CC1(CN2C[C@H]3CC[C@H]2c2ccccc23)CCC1 335582533 VPAODKGSEGQHJV-CJNGLKHVSA-N 252.361 3.615 30 20 CHED CC[C@@H](C)[C@H](C)N(CCCC1(C#N)CCOCC1)C1CC1 337127632 HALWUBHTLYZYHT-CVEARBPZSA-N 292.467 3.986 30 20 CHED CC1(C)CCC[C@H](c2noc(-c3ccc(C#N)o3)n2)C1 426584150 NUOYZRJCUYRIEL-JTQLQIEISA-N 271.320 3.885 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@]12CCC[C@H]1C2 421549447 ZJSIHZXGPWFBEX-WMLDXEAASA-N 255.361 3.934 30 20 CHED CC[C@H](N/C(O)=N/[C@@H]1CC[C@H](C)C1)c1nc(C)cs1 331215751 DBVGJAWCOITZKW-WCQGTBRESA-N 281.425 3.595 30 20 CHED CC(C)[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1 232314258 ZFWPHKPEJPRXMV-QGZVFWFLSA-N 285.366 3.523 30 20 CHED C=CCn1c(C)nnc1N1CC[C@@H](C)C2(CCCCC2)C1 337808489 JNRXMMNGUDKSLS-CQSZACIVSA-N 288.439 3.569 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Br)c(C)n1 425515810 LWMXQOOZBPQXSJ-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C=C(C)CN(C)C[C@@H](OC)c1ccc(Cl)cc1 514233074 UXURYTPLFXDLIX-CQSZACIVSA-N 253.773 3.535 30 20 CHED C[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)cc2Cl)C1 429627249 ZOFHHOQJTBBYDD-PWSUYJOCSA-N 291.782 3.864 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/C[C@@H]1CC=CCC1 330028576 OSGHUYDWMQCXCX-CYBMUJFWSA-N 274.364 3.596 30 20 CHED COc1cc(C#N)ccc1Oc1ccc(C(F)(F)F)cn1 141394326 AXSUTOSWSLHLRM-UHFFFAOYSA-N 294.232 3.773 30 20 CHED C=CCC[C@H](C)Nc1ccc(C(=O)N(CC)CC)cc1 437142687 OQTSXMVYJMDWFN-AWEZNQCLSA-N 274.408 3.935 30 20 CHED CC[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1Cl 162930069 MOQALZOWPBREBK-RISCZKNCSA-N 262.784 3.975 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ncccc2Cl)c1 334554337 QLOYHCOKDHBHEG-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccncc1F 335858168 FBVSDUAVAWBKLP-SGTLLEGYSA-N 295.361 3.821 30 20 CHED N#CCN(Cc1ccc(N2CCCCC2)cc1)C1CCCC1 93563135 PDUIEGOWOWCTDO-UHFFFAOYSA-N 297.446 3.945 30 20 CHED N#Cc1ccc(N[C@@H]2CSc3ccccc32)c([N+](=O)[O-])c1 96687037 DUTFVTMLHRLNBN-CYBMUJFWSA-N 297.339 3.725 30 20 CHED CC1(C)Cc2cc(CN(CC#N)C3CCCC3)ccc2O1 93563224 BOMOSDBEFWIXEJ-UHFFFAOYSA-N 284.403 3.668 30 20 CHED CCc1nnc(C)cc1/C(O)=N/[C@@H](C)c1cc(C)oc1C 330810046 JIRNCULUOSGNSO-NSHDSACASA-N 287.363 3.623 30 20 CHED Cc1cc(Cl)c(NCCO[C@H](C)C#N)cc1Cl 384075990 WJLVHGKHBKZAEF-SECBINFHSA-N 273.163 3.642 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cccc2ncccc12 96930859 DHVMFELIDFPZAI-KHPPLWFESA-N 299.333 3.758 30 20 CHED C=CCN(CCC#N)Cc1cccc(OC2CCCC2)c1 430111639 SOHFGSPLGPPWQL-UHFFFAOYSA-N 284.403 3.910 30 20 CHED CCCCOc1ccccc1CNCC1(CC#N)CC1 430069790 WAPDJDQNFARMHP-UHFFFAOYSA-N 272.392 3.649 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H](C)C1 345056342 HVHLVNYOEWZHHU-YOEHRIQHSA-N 284.403 3.731 30 20 CHED C=CCCC1(C(=O)N2Cc3ccccc3O[C@@H](C)C2)CC1 346645927 BXNXDWXFYZMVGP-AWEZNQCLSA-N 285.387 3.543 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 432496271 KPEUDNPJQWNYDB-UHFFFAOYSA-N 299.296 3.719 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 249106654 QQGCTNPYRKZGSV-CKEIUWERSA-N 281.440 3.546 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@@H]1CCCC(C)(C)C1 345889984 QWKDFNAITRPLAR-CYBMUJFWSA-N 264.413 3.649 30 20 CHED Cc1sccc1CN[C@@H](C)c1ccc(C#N)cc1 294328968 YLZVKALQIICMOD-NSHDSACASA-N 256.374 3.779 30 20 CHED Cc1ccc(C)c(N[C@@H](C)CC2(C#N)CCOCC2)c1 602489751 OTGBFJPHLOPSST-HNNXBMFYSA-N 272.392 3.814 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C#N)cc1Cl 430366872 RIZHGVYGOFMBIU-UHFFFAOYSA-N 274.751 3.919 30 20 CHED C[C@H](CCC#N)CNc1cccc(N2CCCCC2=O)c1 602486789 ISDBBHGADRLNIC-CQSZACIVSA-N 285.391 3.555 30 20 CHED CCc1nnc(CSc2ccc(Cl)cc2C#N)s1 601912127 JBOLRPAKPIHKNW-UHFFFAOYSA-N 295.820 3.918 30 20 CHED Cc1nc(CC/N=C\c2cc(Cl)ccc2O)sc1C 255507155 LYNZXVBYOZTIKP-PXNMLYILSA-N 294.807 3.781 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2cncnc2)cc1 340493235 ZJRFRDIFSJHGNW-UHFFFAOYSA-N 281.359 3.684 30 20 CHED C[C@H](N[C@@H](C#N)C1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2 609676966 JCFZBUKESZZEMG-AYIQCDPPSA-N 260.425 3.873 30 20 CHED CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@@H]1CCC#N 603923373 COFFUGQNFVWXIY-SNVBAGLBSA-N 296.157 3.636 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnn(C(C)C)c2)cc1C 255414376 CEDYZTVWXHYMDF-VURMDHGXSA-N 268.360 3.977 30 20 CHED N#Cc1ccc(SCc2cccc3c2CCOC3)cc1 600861964 XUQQSVKNYZSBOV-UHFFFAOYSA-N 281.380 3.923 30 20 CHED C=CCCC1(C(=O)NCCCSCC(C)C)CC1 356561855 LNWXKKZGZYFMRZ-UHFFFAOYSA-N 269.454 3.628 30 20 CHED C=C[C@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 535340724 OVIKLWVRNRRGQT-CYBMUJFWSA-N 291.354 3.861 30 20 CHED CC[C@@H](NC[C@H]1CCCCN1C1CC1)c1ccc(C#N)cc1 447600279 LQELCHJPBYCGEJ-RTBURBONSA-N 297.446 3.616 30 20 CHED C=CCC[C@@H](N[C@H]1CN(C)Cc2ccccc21)C1CC1 539054674 IUTSSBRFTLFSJM-MSOLQXFVSA-N 270.420 3.508 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)OC(C)(C)C2)CCCCC1 448806961 VXHSQZANKONKIR-CQSZACIVSA-N 279.424 3.539 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CC[C@@H](C#N)C1 442708450 JFGMRHNSBXOIJH-NFAWXSAZSA-N 272.392 3.883 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H](C)O1 354892806 LYDBHXNVHPOGGB-YJBOKZPZSA-N 286.419 3.584 30 20 CHED COc1ccc(C)cc1NC1CCC(C)(C#N)CC1 449047929 SSQLQXKWHKHLBO-UHFFFAOYSA-N 258.365 3.888 30 20 CHED C=CCCC1(C(=O)Nc2cccc(-c3nnc(C)o3)c2)CC1 356190786 HIUCTHBPPWKWCW-UHFFFAOYSA-N 297.358 3.730 30 20 CHED CN(Cc1ccsc1)C(=O)C[C@H](CC#N)c1ccccc1 619424695 QUBZJKYMXHYRPK-INIZCTEOSA-N 298.411 3.794 30 20 CHED C=CCN(C(=O)N[C@H](CCC)CCCC)C1CC1 539027206 ADFUNNPDSIHJTD-CYBMUJFWSA-N 252.402 3.705 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)c1cc(Cl)ccc1Cl 448662516 BNOWPTJPCGIAKC-UINNMSKDSA-N 297.185 3.720 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H](C(C)C)CC1)OCC 533684322 IEJORLIQMUTQTD-CVEARBPZSA-N 281.440 3.642 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc3ccc(C)nc23)C1 617782541 HROUVSRFWIGTRN-HNNXBMFYSA-N 294.398 3.972 30 20 CHED CC[C@@H](NCC(C)(C)CN1CCCC1)c1ccc(C#N)cc1 447599813 YVLFXRXMRHEJFS-GOSISDBHSA-N 299.462 3.721 30 20 CHED CC(C)c1ccc(C(C)(C)NC(=O)NC[C@H](C)C#N)cc1 611624019 ISGQZKWHEHUJKM-CYBMUJFWSA-N 287.407 3.504 30 20 CHED N#Cc1ccc(NCC2(Cc3ccc(F)cc3)CC2)cn1 356794022 MEOKRYKJMIWFHL-UHFFFAOYSA-N 281.334 3.527 30 20 CHED CC(C)N(CCC#N)Cc1ccc(F)cc1C(F)(F)F 535077273 KYZSPYNIDRASOJ-UHFFFAOYSA-N 288.288 3.969 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1ccc2c3c(cccc13)CC2 264115143 KAVREYJGLPKDSD-LBPRGKRZSA-N 293.370 3.562 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 457316460 ZZWKKXQOXMLWLC-SJLPKXTDSA-N 296.414 3.531 30 20 CHED CCCO[C@H]1CCCN(c2cccc(Cl)c2C#N)CC1 450326929 JSNCSCYTUZXPDW-ZDUSSCGKSA-N 292.810 3.997 30 20 CHED Cc1cc(Cl)c(C(=O)NCC(C)(C)CC#N)cc1C 457995533 QFEMENNMEZOKKU-UHFFFAOYSA-N 278.783 3.627 30 20 CHED Cc1cc(C)cc(CCNc2nc3c(cc2C#N)CCC3)c1 610131941 SZFRZPFOMFPZRD-UHFFFAOYSA-N 291.398 3.713 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 450303542 NHJLQTSEWURFEZ-NVXWUHKLSA-N 296.414 3.880 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccnc2C(F)(F)F)C1 617782123 YVWPABDGTROAKO-LLVKDONJSA-N 298.308 3.529 30 20 CHED Cc1cc(F)ccc1-c1noc(C2(C#N)CCCCC2)n1 273791287 GYNKOPACTRUZOB-UHFFFAOYSA-N 285.322 3.910 30 20 CHED C=CCOCCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 451352534 HVEFFWGBWBTGDA-OAHLLOKOSA-N 283.774 3.722 30 20 CHED C=CCC1(CNC(=O)C2(C#N)CCCCC2)CCCC1 456486566 NPJRVDNSBVUAIO-UHFFFAOYSA-N 274.408 3.713 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCCc2ccc(F)cc21 451338629 HRVUUNUFLFMYKY-CQSZACIVSA-N 261.340 3.532 30 20 CHED N#C[C@H]1CCC[C@@H](NCC2(Cc3ccc(F)cc3)CC2)C1 618571441 QRPPYYVPUWBKJJ-DOTOQJQBSA-N 286.394 3.820 30 20 CHED CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cc(C)cc(C#N)c1 455953892 LFGIYIUGVXYQHU-WFASDCNBSA-N 271.364 3.519 30 20 CHED C#CC[C@@H](N[C@H](C)c1cccc(CO)c1)c1ccccc1 271874344 HADOGIXJZNBSJF-DNVCBOLYSA-N 279.383 3.594 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(SC)ccc1C 272073944 KFSIIRFNBZDDNW-UHFFFAOYSA-N 270.785 3.591 30 20 CHED C=CC1CCN(C(=O)Nc2cnn([C@@H](C)CC)c2C)CC1 362315793 ANJCTXDRIARHBO-LBPRGKRZSA-N 290.411 3.592 30 20 CHED C=CCC1(NC(=O)c2ccc(C(C)=O)cc2)CCCCC1 456380044 JKOHXMLDUZHDDW-UHFFFAOYSA-N 285.387 3.898 30 20 CHED C=C(CC)CNC(=O)c1cnn(C(CC)CC)c1CC 456809467 BTPPHFJVCONYEQ-UHFFFAOYSA-N 277.412 3.503 30 20 CHED C[C@H](CCc1ccccc1)CNCC(C)(C)CC#N 459729768 KSKCIXVSBWTCBK-OAHLLOKOSA-N 258.409 3.785 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1cccc(C)c1C 455313925 REXIIQOPWLPIKV-CQSZACIVSA-N 260.381 3.630 30 20 CHED C[C@H](C(=O)NCC1CCCCCC1)c1cccc(C#N)c1 452797953 WGUULTKJQOBNSJ-AWEZNQCLSA-N 284.403 3.748 30 20 CHED N#CCCCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 273002009 HQPGRZNLEMRUDW-QWHCGFSZSA-N 297.185 3.517 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1cc2ccccc2o1 464170506 XGASGNAHNWAMHU-KPZWWZAWSA-N 298.386 3.981 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 547952062 DKNJHIHPSKSMSO-CYBMUJFWSA-N 278.783 3.766 30 20 CHED C=C[C@](C)(CC)C(=O)NC1CCC(C(C)C)CC1 467994237 LMXFKELXZJSABV-ZBCRRDGASA-N 251.414 3.920 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1ccc(CC#N)cc1 541348218 FMXFYKOCCDDXRI-OAHLLOKOSA-N 276.383 3.872 30 20 CHED C=CCCCC(=O)Nc1cc(F)c(SC)c(F)c1 542203579 CITJQUNBMNXVAS-UHFFFAOYSA-N 271.332 3.982 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1C 540467753 VOZPLZKHYVLAID-UEKVPHQBSA-N 290.794 3.766 30 20 CHED C=CC[C@H](C)NC(=O)CC(C)(C)CC(=O)c1ccccc1 282551301 YWURSYKERRFMLJ-AWEZNQCLSA-N 287.403 3.757 30 20 CHED N#Cc1ccc(NCc2ccc(-c3ccncc3)cc2)cn1 371862782 IEMKWQJPACNABI-UHFFFAOYSA-N 286.338 3.627 30 20 CHED C=CCCN(C)C(=O)[C@H](Cc1ccccc1)C(C)C 466644486 KCPIOJNEQRWLJK-MRXNPFEDSA-N 259.393 3.536 30 20 CHED C=CCCCCCCN[C@H](c1cccnc1)c1ncc[nH]1 286908704 DYVSVPMAOCZQRJ-MRXNPFEDSA-N 284.407 3.620 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCCNc1ccccc1 553705717 UXERMBVYHJVSRE-HNNXBMFYSA-N 289.423 3.533 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1ccc(Cl)cc1 466527407 LQKXENSCIGBWGH-CYBMUJFWSA-N 281.783 3.580 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H]2CCC[C@H]21 460798164 LZUOVGUZRLLZMO-LSDHHAIUSA-N 288.439 3.576 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCC2(C)C)cc1 287210457 ZSAPSDFRKSKFIR-AWEZNQCLSA-N 285.391 3.798 30 20 CHED N#CCc1ccc(-c2nc([C@H]3CCC(F)(F)C3)no2)cc1 281312686 IDXYCRFBTUCGJT-LBPRGKRZSA-N 289.285 3.705 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)Cc1ccccc1SC 280902855 OLWPOGZLSCCDOX-GFCCVEGCSA-N 278.421 3.515 30 20 CHED CC[C@@H](N[C@@H]1CCN(C2CCCC2)C1)c1ccc(C#N)cc1 370053285 NEQIAMZZGAZREW-IEBWSBKVSA-N 297.446 3.616 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H](CC3CC3)C2)c1C#N 555247348 IZYKVTQVQIPMIP-LBPRGKRZSA-N 275.783 3.542 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(C(C)(C)C)c1O 286243642 ZBVOEEZULRVPNO-INIZCTEOSA-N 274.364 3.568 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2c(c1)CCCCC2=O 289544203 OIEDGVANCZSBTC-UHFFFAOYSA-N 285.387 3.634 30 20 CHED Cc1ccc(NCCCC2(C#N)CCOCC2)cc1C 281382637 YZJQFFJORUCUAT-UHFFFAOYSA-N 272.392 3.816 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1NC1(c2cccc(C#N)c2)CC1 556603379 JAYXCZHVYFVJNY-SJORKVTESA-N 298.430 3.731 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](c2cccc(F)c2)C1 468013498 HIFJZBXKRQBIJQ-YOEHRIQHSA-N 275.367 3.744 30 20 CHED CSc1ccc2c(c1)CC/C(=C\c1c(C)cnn1C)C2=O 284981606 FVHJYQIEXRAGNV-UKTHLTGXSA-N 298.411 3.663 30 20 CHED C=CCOCCSc1nnc(-c2cccc(Cl)c2)o1 558825969 FDFSZRCTSGLCOB-UHFFFAOYSA-N 296.779 3.685 30 20 CHED C#CC[C@H](NC[C@@H](OC)c1ccccc1)c1ccccc1 801937700 UFLOYABKQQFSJP-RBUKOAKNSA-N 279.383 3.728 30 20 CHED Cc1nsc(N2CCSC3(CCCCC3)C2)c1C#N 550387527 OSAFVLVKYUWUNZ-UHFFFAOYSA-N 293.461 3.579 30 20 CHED N#Cc1ccnc(N2CC[C@H](Cc3ccccc3)C2)c1Cl 553080447 KDAKCRCYFQVMBI-CQSZACIVSA-N 297.789 3.676 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[C@H](C)CC 806873501 CKCJIEHCDIGNSY-CVEARBPZSA-N 286.419 3.656 30 20 CHED CC(C)c1ccc(Cc2noc(CCCC#N)n2)cc1 291020786 CMPBDGOLHCNJFM-UHFFFAOYSA-N 269.348 3.630 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1 476161465 QCBJNGBXLBFQOT-KRWDZBQOSA-N 283.415 3.824 30 20 CHED COc1cc(F)ccc1N[C@@H]1CCc2ccc(C#N)cc21 562085770 MDVCSAZLIFIQGW-OAHLLOKOSA-N 282.318 3.805 30 20 CHED CCc1c(C)nc2ccccc2c1N(C)C[C@H](C)C#N 477072704 UXWZQYFJUSKLQS-GFCCVEGCSA-N 267.376 3.702 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cc(Cl)c(F)cc1Cl 293052936 KXVGWGFTSILHML-SSDOTTSWSA-N 289.137 3.507 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 293750515 KFJMRKUNQMAOPZ-UHFFFAOYSA-N 296.754 3.580 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ncc(-c2ccccc2)[nH]1 644696152 RFSMGAZVMNVXBC-UHFFFAOYSA-N 269.348 3.618 30 20 CHED CC[C@H](NCC(C)(C)c1ccccn1)c1ccc(C#N)cc1 297419451 UPKHGSDSUHCTJQ-KRWDZBQOSA-N 293.414 3.972 30 20 CHED Cc1ccc(NC(=O)CCCC#N)cc1C(F)(F)F 291943940 PPRLUFNAHVJIOJ-UHFFFAOYSA-N 270.254 3.646 30 20 CHED N#CCCCC(=O)NC1CCC(c2ccc(F)cc2)CC1 291849772 GLOUVVYVZKTANE-UHFFFAOYSA-N 288.366 3.662 30 20 CHED C=C(Cl)CNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 292942219 FGVVCSPWMPEKKL-CQSZACIVSA-N 290.794 3.676 30 20 CHED CC(=O)c1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1C 563372687 STVJJBGCFDXPAN-GOSISDBHSA-N 296.370 3.610 30 20 CHED C=CCOCCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 470775546 ZFQKSLJJVWKSQU-RHSMWYFYSA-N 277.383 3.801 30 20 CHED COc1ccc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)cc1 806565023 IPEXYSSLAAXBQM-BJMVGYQFSA-N 296.370 3.679 30 20 CHED C=CCCCCCCNC(=O)c1c(F)ccc(F)c1F 805218323 WQLOMNUKSYTVHL-UHFFFAOYSA-N 285.309 3.970 30 20 CHED C=CCCCCCCNC(=O)C=C1CCSCC1 805220423 QSEBHHUWWDZJJZ-UHFFFAOYSA-N 267.438 3.693 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 295208908 UJTMPGABWZFENM-UKRRQHHQSA-N 275.367 3.790 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(C)cccc1OC(F)F 806256292 MJSIVIROTLJAEY-LLVKDONJSA-N 296.317 3.520 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N(CCC#N)C(C)C 562724068 BTPUKNWLHRLTPO-OAHLLOKOSA-N 290.432 3.708 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1CCCc1ccccc1 487300556 GFGILQTXDZMCSG-RDJZCZTQSA-N 286.419 3.758 30 20 CHED CC(C)(C#N)CCCOc1cccc2c1OCCC2 567852139 SDOIKQGURYAYCP-UHFFFAOYSA-N 259.349 3.720 30 20 CHED C[C@@H]1SCCC1=NNc1ccccc1C(F)(F)F 814688831 MYDDNHVNFXWKTB-QMMMGPOBSA-N 274.311 3.999 30 20 CHED N#CCc1cccc(NC(=O)NC(C2CCC2)C2CCC2)c1 568038468 SBWWGUVQCNQYTE-UHFFFAOYSA-N 297.402 3.843 30 20 CHED COCCC(C)=NNc1ccc(OC)cc1C(F)(F)F 814938287 ZARQLECQMCDHFR-UHFFFAOYSA-N 290.285 3.538 30 20 CHED N#CCCCC(=O)Oc1ccc(OCc2ccccc2)cc1 812824486 RECLOPMITAHDHF-UHFFFAOYSA-N 295.338 3.865 30 20 CHED CC(=NOC1CCC1)c1cc(Cl)c(Cl)cc1O 812235752 AQFXOKNGLWYFJN-UHFFFAOYSA-N 274.147 3.992 30 20 CHED CCOc1ccc(C(C)=NOC/C=C\Cl)cc1 811668378 FJKXHHSVILUDDM-JDHIIMCOSA-N 253.729 3.578 30 20 CHED C=CCCCC(=O)Nc1ccnn1-c1cccc(Cl)c1 480883416 KWZGDNXQDJXRHO-UHFFFAOYSA-N 289.766 3.821 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccccc1 484216886 FAQCXWSICJZOHI-MRXNPFEDSA-N 295.382 3.982 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCCC1(C)C 569540189 UCQGRQJHXONSBH-KKUMJFAQSA-N 251.414 3.526 30 20 CHED CCc1nocc1C=NNc1ccc(Cl)c(Cl)c1 814796704 MDYICQVQRCJGHA-UHFFFAOYSA-N 284.146 3.990 30 20 CHED CCOc1ccc(NN=C2CCC[C@@H]2CCOC)cc1 814985421 GDAWESQLLXIVMQ-CYBMUJFWSA-N 276.380 3.690 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CC=CCC1 486187948 FJCDJSHHHAXYMN-CYBMUJFWSA-N 273.401 3.803 30 20 CHED C=CCN(CCC#N)C(=O)/C=C(/C)c1cccc(Cl)c1 814134358 HIACMQLQDKVJML-QBFSEMIESA-N 288.778 3.672 30 20 CHED C#CCC(C)(C)C(=O)OCc1cncc(-c2ccsc2)c1 816256258 DLQVDZYWQBOYAS-UHFFFAOYSA-N 299.395 3.903 30 20 CHED CC(=NNc1cccc(F)c1)[C@@H](C)NC(=O)OC(C)(C)C 811639749 HEMYFXXGWMNIGO-SNVBAGLBSA-N 295.358 3.527 30 20 CHED C=CCCC(=O)Nc1ccc(-c2ccccc2)c(C)n1 570254012 XHEVFUJUINHRLJ-UHFFFAOYSA-N 266.344 3.962 30 20 CHED c1ccc(CON=C2Cc3[nH]c4ccccc4c3C2)cc1 814791439 HFSHSAQSJLRDHV-UHFFFAOYSA-N 276.339 3.839 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 488928103 ZYSQCNVYKALXMS-RRFJBIMHSA-N 284.403 3.784 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(OC(F)F)cc1 811670837 FWKKKFFEHMCLTF-AZACMKFLSA-N 275.682 3.781 30 20 CHED C#Cc1cccc(NC(=S)N(CC)CC(C)(C)C)c1 812264664 WQPCBHXTKMKTEJ-UHFFFAOYSA-N 274.433 3.733 30 20 CHED C=C(C)CNC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 488546984 HQZAHBPRKVBMPX-CQSZACIVSA-N 274.408 3.616 30 20 CHED C#Cc1ccccc1CC(=O)O[C@H](C)c1ccccc1F 810659969 BWQPHSUFJPFIRF-CYBMUJFWSA-N 282.314 3.654 30 20 CHED N#Cc1ccnc(N[C@@H](CC2CCC2)c2ccccc2)n1 570159157 YFICSUHPWNNLDO-INIZCTEOSA-N 278.359 3.692 30 20 CHED CC(C)n1cncc1C=NNc1ccc(OC(F)F)cc1 819807314 OEEJTKSCEUDQOD-UHFFFAOYSA-N 294.305 3.511 30 20 CHED C=CCC[C@H](C(=O)N1CCCC(F)(F)C1)c1ccccc1 650315589 GFLGDLNHWSEUDQ-HNNXBMFYSA-N 293.357 3.994 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H](C)[C@@H]1CCC 815715677 PWXDPUYCQUGDOC-NEPJUHHUSA-N 259.340 3.625 30 20 CHED C#CCC1(C(=O)NCC(C)(C)CC=C)CCCCC1 817457783 XMFBOVJNAJTPCL-UHFFFAOYSA-N 261.409 3.679 30 20 CHED CC(Cc1cccs1)=NNc1ccc([N+](=O)[O-])cc1 729633252 WFALTCSNEAGTRN-UHFFFAOYSA-N 275.333 3.687 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@H]2CCC[C@@H](C)C2)c1 726455638 DLSKVFSCVOIICB-CJNGLKHVSA-N 286.444 3.875 30 20 CHED C#CCC1(OC(=O)c2cc3cccc(F)c3o2)CCC1 810746885 GWQZSZBITOQIDO-UHFFFAOYSA-N 272.275 3.675 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(C(C)=O)ccc1OCC 489410026 YFPBPBHLBXXYNC-KRWDZBQOSA-N 287.403 3.828 30 20 CHED C[C@@H]1SCCC1=NNc1cc(Cl)nc(Cl)c1 819828962 WSQYKYXRFRYESH-LURJTMIESA-N 276.192 3.682 30 20 CHED Cc1cc(F)c(/C=C/C(=O)c2c(C)nn(C)c2C)c(F)c1 819010747 LGSHAVUKANYNDB-AATRIKPKSA-N 290.313 3.520 30 20 CHED C=CCCCC(=O)N1CCCC[C@@H]1Cc1ccccc1 480873908 XGSDEBYDDXXQHI-QGZVFWFLSA-N 271.404 3.967 30 20 CHED CCc1nc(C)c(CSc2nc(C)cc(C)c2C#N)o1 578723913 QVMVJPQJXBLZPH-UHFFFAOYSA-N 287.388 3.721 30 20 CHED C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)Cc1ccccn1 658049906 ZKZFTCSWLTYTAY-ZMSDIMECSA-N 258.409 3.737 30 20 CHED N#Cc1ccc(N2CCC(CC(F)(F)F)CC2)cc1 576733818 GZCGLXDZWAISNO-UHFFFAOYSA-N 268.282 3.727 30 20 CHED C=C(C)CCc1noc([C@@H](C)Cc2ccccc2)n1 570855270 KSUZHWDCXJINRC-ZDUSSCGKSA-N 256.349 3.925 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)CC1 574990222 OJYLFIOJVKTVQY-CJNGLKHVSA-N 262.397 3.567 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(C#N)cc1OC 576636015 JJAGVIZYYJVLNJ-NWDGAFQWSA-N 289.379 3.513 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(N2CCCC2)cc1C 491092814 CPLXFZJDOXASAQ-HNNXBMFYSA-N 299.418 3.519 30 20 CHED Cc1ncccc1/C=C1/C(=O)c2c(O)ccc(F)c2[C@H]1C 728785754 LVJUKQPDYKRQSH-KWINOFQJSA-N 283.302 3.618 30 20 CHED CCCCNN=Cc1cnc(-c2ccccc2)s1 727254887 BCDQUFQGEJKCHN-UHFFFAOYSA-N 259.378 3.534 30 20 CHED CC(C)(C#N)CN[C@H]1CC2(CCC2)Oc2ccccc21 903100199 JVPNZZZKQOINCL-AWEZNQCLSA-N 270.376 3.572 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(O)c(OCC)c2)C1 668493721 RBWHCMPBPVJPAF-CQSZACIVSA-N 275.392 3.579 30 20 CHED C=C1CCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 731033027 UOIRHSFXIJNJPB-HNNXBMFYSA-N 294.398 3.819 30 20 CHED N#CCc1ccc(CSCCCOC(F)(F)F)cc1 902459749 RPRRXHRWYKIDCG-UHFFFAOYSA-N 289.322 3.912 30 20 CHED Cc1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)c(C)c1 730149145 TZCCGUNULXBRFA-AATRIKPKSA-N 286.352 3.959 30 20 CHED N#CC1(CCCCn2cnc(-c3ccccc3)n2)CCC1 901495100 WTHQMPWMYKTNAZ-UHFFFAOYSA-N 280.375 3.809 30 20 CHED CCSc1ccc([C@H](C)NCC(C)(C)C#N)cc1 903100173 IQIAGMIRRBCBBL-LBPRGKRZSA-N 262.422 3.999 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC[C@H](C#N)CCC#N 581999181 ZADFOXLBVUZLQK-VDZJLULYSA-N 295.430 3.979 30 20 CHED COc1cc(C=O)ccc1OCCCCC1(C#N)CCC1 901376455 FHKRKXFKAYGLQI-UHFFFAOYSA-N 287.359 3.751 30 20 CHED C=CC[C@@H](OC(=O)CSC(F)F)c1ccccc1 835322700 IWWPFRFRGDDTIK-LLVKDONJSA-N 272.316 3.803 30 20 CHED Cc1c(C(=O)/C=C\c2ccccc2)cnn1C(C)(C)C 588559268 PJXPADLXFZOJLM-KHPPLWFESA-N 268.360 3.843 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(C)c1 839045185 YIPPHXQFFIFEIC-KGLIPLIRSA-N 257.333 3.543 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(C)s1 839041638 BYQSLTGKTOZLQS-NWDGAFQWSA-N 263.362 3.604 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(C2CCCCCCC2)no1 834646116 YFPFWXSQBPMWIV-KGLIPLIRSA-N 276.380 3.956 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCCc1c[nH]c2ccc(OC)cc12 675878234 QTYHBQWKJZHRAV-ZIAGYGMSSA-N 286.419 3.909 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCc1cccc(C#N)c1 835146325 DDYMYBQFFZVVEX-LBPRGKRZSA-N 285.265 3.580 30 20 CHED COc1cccc(/C=N/[C@@H]2CSc3ccccc32)c1O 735414771 LDDBMFMEIKDGSW-LFMVTYOGSA-N 285.368 3.667 30 20 CHED C#CCOc1ccc(CNc2cc(C)cc(C)c2)cc1 734157247 YJTBFHCSBKULAK-UHFFFAOYSA-N 265.356 3.928 30 20 CHED COC(=O)c1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1 730948447 FHODZOSJIOUADZ-MHWRWJLKSA-N 292.334 3.604 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(Cl)cn2CC)C1 912387544 DUHAPFGUEVKPLY-GFCCVEGCSA-N 280.799 3.590 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2cncc(F)c2)CCCC1 839076890 LOOHAKUIJJAJKN-LBPRGKRZSA-N 277.339 3.961 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2=CCC(C)(C)CC2)n1 835038080 UGPVEICYOIHTPU-GFCCVEGCSA-N 274.389 3.764 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(F)cc1C 731311653 FNGSMEZILWFFMB-UHFFFAOYSA-N 286.306 3.668 30 20 CHED CSc1ccc(NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)cc1 834998431 HDBHQVKADKYYNS-QWRGUYRKSA-N 292.404 3.697 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CCc2ccc(C#N)cc21 593720353 QWGLIQHYVHQZNO-SLFFLAALSA-N 288.394 4.000 30 20 CHED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1cccs1 596657307 OQOZHNSTTYBXNW-LBPRGKRZSA-N 276.405 3.789 30 20 CHED Cc1cocc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 599209988 WSFNTNZFNBNSDE-UHFFFAOYSA-N 282.343 3.763 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(N2CCCCC2)c1 836323794 GMIQPAQPJWVCRA-UHFFFAOYSA-N 287.407 3.765 30 20 CHED C=CC(C)(C)CNC(=O)/C=C\c1nc2ccccc2s1 836828974 SBRKWXNUOFAYOG-KTKRTIGZSA-N 286.400 3.638 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(C#N)c1 592438931 VUEJNVAPEFWFQB-UHFFFAOYSA-N 292.382 3.919 30 20 CHED CC(C)O[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 593053056 BHCGYDXBXURCGC-INIZCTEOSA-N 278.440 3.740 30 20 CHED CC(C)[C@@H](C#N)N1CCN(CCC2CCCCCC2)CC1 593969071 ZRZBOIUXGJABBY-GOSISDBHSA-N 291.483 3.513 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 591808930 MCBWAKDWFVLDHA-OSRSDYAFSA-N 282.387 3.514 30 20 CHED COCCCCCON=Cc1ccccc1C(F)(F)F 742351943 ILZBOLWFGUXLRL-UHFFFAOYSA-N 289.297 3.873 30 20 CHED CC(C(=O)N(CC#N)c1ccc(Cl)cc1)=C1CCC1 843611558 MRGODWJVOJAKRM-UHFFFAOYSA-N 274.751 3.697 30 20 CHED CC(=NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1cnccn1 745204096 RZNBBHUWHVCHHZ-UONOGXRCSA-N 270.380 3.632 30 20 CHED C#C[C@@H](OC(=O)C(C)(C)CC=C)c1ccc(F)cc1 842408677 WOBIHZLWBLCMFX-CQSZACIVSA-N 260.308 3.646 30 20 CHED CC(C)Cn1nccc1/C=C1\CCOc2ccccc2C1=O 843269631 QAJATFWEOWDUDB-SDNWHVSQSA-N 296.370 3.588 30 20 CHED C=CCc1ccccc1OC(=O)c1cccc2c[nH]nc12 916859082 DYZVRAGJWIACBQ-UHFFFAOYSA-N 278.311 3.511 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1CCCCC1(F)F 840706806 KJXLHXYRFMQLMT-UWONZBIMSA-N 253.292 3.637 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)c1 840717178 RVIJVZSAZVPZQX-SOFGYWHQSA-N 296.370 3.684 30 20 CHED CCCCCCCCCOC(=O)c1ccnc(C)n1 919466157 KFGVBWPTKLXWSJ-UHFFFAOYSA-N 264.369 3.692 30 20 CHED C#CCN(C(=O)c1ccc2ccncc2c1)C1CCCCC1 844355897 CHPBLNCDHCELLR-UHFFFAOYSA-N 292.382 3.643 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1csc(-c2ccccc2)n1 672828767 ZADLBFHKMHYLFL-LLVKDONJSA-N 287.388 3.896 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C[C@@H]1CCCO1 917870747 FDCOBWLOBOXTKL-CABCVRRESA-N 269.429 3.668 30 20 CHED C=C(C)CCOC(=O)c1sccc1-n1cccc1 744304821 FTTQTLHEISCMPR-UHFFFAOYSA-N 261.346 3.662 30 20 CHED Cc1ccc(-n2cc(CC3(C#N)CCCCC3)nn2)cc1 594639774 BJVFEDMTNXGSIF-UHFFFAOYSA-N 280.375 3.592 30 20 CHED FC(F)SCc1ccc(C=NOCc2cccnc2)o1 746587110 DTEREYHSSBBACF-UHFFFAOYSA-N 298.314 3.681 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1NC1CC2(CCC2)C1 845756255 KHQUWXZLMLOLAS-UHFFFAOYSA-N 281.281 3.717 30 20 CHED C#CCCCCCC(=O)N1CCCC(CC)(CC)C1 855822015 XNRQOLHPYDNWHM-UHFFFAOYSA-N 263.425 3.999 30 20 CHED CC(C)CN(CCC#N)Cn1c(=S)oc2ccccc21 919942974 GAKXHSJQIRUGJE-UHFFFAOYSA-N 289.404 3.793 30 20 CHED CC[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 595092450 VUVHJAHMVIBGBV-MOPGFXCFSA-N 292.382 3.992 30 20 CHED CCCCCCCC(=O)[C@H](C#N)c1cc(C)nc(C)n1 915107480 SVNKECOAKKUQGS-CQSZACIVSA-N 273.380 3.630 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@@H](C)CC(F)(F)F)cc1 840873050 PSYOEZDXQPQROU-STQMWFEESA-N 299.336 3.938 30 20 CHED C=C(C)Cc1cccc(C(=O)OC)c1OCC1(C#N)CCC1 596289184 XIDKGCYCZFICSO-UHFFFAOYSA-N 299.370 3.664 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(C1CC1)[C@@H](C)C#N 598128325 IJTCQLXQNGBOIB-DZGCQCFKSA-N 276.424 3.886 30 20 CHED C=CCCCC(=O)Nc1ccc(-n2nc(C)cc2C)cc1 748519184 KOKGPQPIOOEHCJ-UHFFFAOYSA-N 283.375 3.784 30 20 CHED CC(C)[C@@H](C#N)OC(=O)[C@H](C)c1ccc(Cl)cc1 845459013 LXGACOSMSKDJQO-ZWNOBZJWSA-N 265.740 3.535 30 20 CHED CC[C@H](C#N)C(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 593606424 FOLGMLGARBKPOM-DLBZAZTESA-N 298.430 3.751 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OCC(C)(C)CCC#N 847701863 GGTOCVUUOBTWIX-CQSZACIVSA-N 298.386 3.610 30 20 CHED Cc1cc(CN[C@@H](c2ccccn2)C2CC2)ccc1C#N 922584267 GDDHVSSLGVWHRD-GOSISDBHSA-N 277.371 3.503 30 20 CHED CCC1CC(=O)C(=CN[C@@H](C)CCCC(C)C)C(=O)C1 920976944 UHBYRZXODDUFDT-LSLKUGRBSA-N 279.424 3.633 30 20 CHED CC(C)(C)[C@@H]1C[C@H](NCc2ccc(C#N)cc2)CS1 754127339 KKNLLKQGCWPFKJ-GJZGRUSLSA-N 274.433 3.568 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1cnc(COC)s1 851143900 OKBFOWUTQRAAML-NWDGAFQWSA-N 295.404 3.581 30 20 CHED COCC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(C)o1 926110025 PBTGERGBIFNLNW-JSGCOSHPSA-N 278.396 3.584 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(CCC)[nH]n2)CCCC1(C)C 683497439 OGOAAIZXTHJHEG-OAHLLOKOSA-N 289.423 3.569 30 20 CHED C=CCCCCOC(=O)c1nc(C)ccc1Br 924026424 DUAGSGMWRVMCRJ-UHFFFAOYSA-N 298.180 3.666 30 20 CHED C#CC[C@H](NC(=O)N(C)Cc1ccccc1)c1ccccc1 757057219 FQGBJHYHHPYPHM-SFHVURJKSA-N 292.382 3.593 30 20 CHED C=CCCOCc1nc(C2(OCCC)CCCCC2)no1 685399907 ARTAGGURXSDBNK-UHFFFAOYSA-N 294.395 3.748 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)o1 850362785 NQVWBKZBZANBDQ-KRWDZBQOSA-N 282.343 3.523 30 20 CHED C[C@@H](C=NNc1ccc([N+](=O)[O-])cn1)CC1CCCCC1 758114054 UXJPCHYPQUSWBI-GFCCVEGCSA-N 290.367 3.994 30 20 CHED C/C(=C\C(=O)N(CCC#N)CCC(C)C)c1cccs1 857149242 VJNUUHKXDKUVNQ-WYMLVPIESA-N 290.432 3.940 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(C)s1)c1ccccc1 757598106 ILBGCNAXDQSAJB-CQSZACIVSA-N 269.369 3.551 30 20 CHED N#C[C@@H]1CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1 928219807 CHKRJJXHXWVQLQ-ZLPCBKJTSA-N 296.414 3.723 30 20 CHED C#CC[C@@H](Nc1ncc(C#N)cc1Cl)c1ccccc1 756954281 WBZYEPJKVWQMGI-OAHLLOKOSA-N 281.746 3.783 30 20 CHED C=CC(C)(C)CCOC(=O)c1cc2nccnc2cc1F 851300595 WTINYHNVLJEKPX-UHFFFAOYSA-N 288.322 3.528 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC[C@H]2CCF)c(F)c1 853396834 QDLSYYNYWMRCKA-VIFPVBQESA-N 283.278 3.662 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@@H](C#N)C1CCCCC1 934128398 BFCAJXQBICYWCX-YOEHRIQHSA-N 284.403 3.687 30 20 CHED COCCCON=C(C)c1ccc(F)cc1C(F)(F)F 863113832 UGOJIEVKZHHBMZ-UHFFFAOYSA-N 293.260 3.622 30 20 CHED CC(=NNc1cnn(C)c1)c1ccc(-c2cccs2)cc1 761861190 WVSUUQDWAQGYGG-UHFFFAOYSA-N 296.399 3.985 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(-c2ccon2)c1 933785585 DPIWNGZAFRIBLE-OAHLLOKOSA-N 297.358 3.914 30 20 CHED C#CCCCCCC(=O)NCCC1=CCCCCC1 766560691 VBITUFVONZYJIL-UHFFFAOYSA-N 261.409 3.967 30 20 CHED C[C@H]1CCCC(=NNc2cc(C#N)cc(Cl)n2)C1 768382138 QCFQFFXDRHNXND-VIFPVBQESA-N 262.744 3.585 30 20 CHED CCC(CCc1ccccc1)=NOCC(F)(F)F 863103381 XJVJGHKCZDHHSC-UHFFFAOYSA-N 259.271 3.964 30 20 CHED C=CCN(C(=O)Nc1ccccc1N(C)CCC)C(C)C 861644375 DTFBAKOFSJKRJS-UHFFFAOYSA-N 289.423 3.961 30 20 CHED CCC[C@H](C)[C@H]1CCCN1Cc1ccc(OCC#N)cc1 767907743 SFWZLSRECFRRTC-MAUKXSAKSA-N 286.419 3.990 30 20 CHED Cc1ccc(C=NNc2ncnc3ccsc23)cc1F 764836129 UOLVUEPRHRRSSV-UHFFFAOYSA-N 286.335 3.585 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@H]1C[C@H]2CC[C@H]1C2 767997888 UVLOLOHEPZNREW-DZKIICNBSA-N 297.398 3.967 30 20 CHED C=CCn1c(SCOCCC)nnc1-c1ccoc1C 863240535 YBFWTGJEQIHBGH-UHFFFAOYSA-N 293.392 3.509 30 20 CHED CCc1ccc(/C=C2/CCc3scnc3C2=O)cc1 863196415 IRTNKOAIQAYHKO-LCYFTJDESA-N 269.369 3.918 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1nc(C)cs1 863073282 HHULSQSGXDHQIB-UHFFFAOYSA-N 259.378 3.904 30 20 CHED Fc1cccc2[nH]cc(C=NOCc3ccccc3)c12 763354239 OAZSAPYILMJPAU-UHFFFAOYSA-N 268.291 3.858 30 20 CHED CCCCCCCCCCC(=O)N1CCC(C(=O)O)CC1 769479824 NUUBWKGRVQJUFZ-UHFFFAOYSA-N 297.439 3.840 30 20 CHED CC[C@@H]1CC(=NN[C@@H](Cc2ccccc2)C(C)C)CCO1 777448509 PUXRDWMEXGJZRP-MSOLQXFVSA-N 288.435 3.788 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1cc(C#N)ccc1OC(F)F 779910198 GYMLSSFTOUUXAE-MDZDMXLPSA-N 294.301 3.845 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Br)cc1 779705075 ZWGFRWNVEMRQDD-UHFFFAOYSA-N 294.192 3.971 30 20 CHED COc1ccc(/C=C/C(=O)c2cscn2)c(Cl)c1 776192411 JMOVPSBETNXHRP-HWKANZROSA-N 279.748 3.701 30 20 CHED CCC(CCC(F)(F)F)=NNc1cccc(C(=O)O)c1 872325381 OWKSQWAKRZXNHN-UHFFFAOYSA-N 288.269 3.905 30 20 CHED C#CCCCCN[C@@H](CC)c1ccc2c(c1)CCCO2 773037757 RCPNXDWIKGKBTE-KRWDZBQOSA-N 271.404 3.856 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)c2ccc(N(C)C)cc2)c1 773905234 JUSKNEPVMVSUIP-QXGSTRBFSA-N 298.386 3.647 30 20 CHED CC(C)c1nccnc1NN=C1CCc2cc(F)ccc21 773089809 AMGZRNZFZBSSSD-UHFFFAOYSA-N 284.338 3.502 30 20 CHED C#Cc1cccc(N(C)C(=O)C(F)(F)c2ccc(C)cc2)c1 779914977 JYBFTGYKNMSDGG-UHFFFAOYSA-N 299.320 3.731 30 20 CHED CCC(=O)c1c(Cl)cccc1N1CCC(C#N)CC1 872431434 CHJPNHQUUVFHMG-UHFFFAOYSA-N 276.767 3.673 30 20 CHED CCC[C@@H](C=NOC1CCOCC1)c1ccccc1 774443532 AJSOWWLAHCFEMV-HNNXBMFYSA-N 261.365 3.752 30 20 CHED Cc1nnc(CON=Cc2ccc(C(C)(C)C)cc2)s1 773186863 WZTYGXSGUPYQHP-UHFFFAOYSA-N 289.404 3.695 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(NC(=O)OCC)cc1 878250648 MBYWSLGSXLYHPC-UHFFFAOYSA-N 290.363 3.796 30 20 CHED CC(CCOCc1ccccc1)=NOCCC(F)(F)F 872365692 BPXWUABBLGRTPX-UHFFFAOYSA-N 289.297 3.938 30 20 CHED C#CCCCCC(=O)OCc1ccc(OCCC)cc1 773626009 FOROFCOUESEEFE-UHFFFAOYSA-N 274.360 3.712 30 20 CHED C=C(CC)COC(=O)[C@H]1SCCc2ccccc21 773520001 CSSMUXFPNJSRMQ-AWEZNQCLSA-N 262.374 3.526 30 20 CHED c1ccc2ncc(CNN=C3CC4(CCC4)C3)cc2c1 772845125 UCCOFWBTXFMRND-UHFFFAOYSA-N 265.360 3.645 30 20 CHED COc1ccc(C=NN[C@H]2CCCCC2(C)C)c(OC)c1 773126879 WGLVRNAVVUNUKK-INIZCTEOSA-N 290.407 3.596 30 20 CHED CCCCCCCC(=O)N1CCC[C@]1(C)CCCO 770454103 FKJPGPVOBNJIJN-MRXNPFEDSA-N 269.429 3.501 30 20 CHED Cc1cc(CSC2=N[C@H](C)CS2)ccc1C#N 783175123 KHXMHKCVKQJLQP-SNVBAGLBSA-N 262.403 3.591 30 20 CHED C=CCCCCCCCN[C@@H]1CCOC2(CCOCC2)C1 886118616 LWOQDQHXGRTPQX-QGZVFWFLSA-N 295.467 3.831 30 20 CHED CC(C)Cc1ccc(C=NN[C@@H](CO)c2ccccc2)cc1 788457853 PCWWJRCHTWLOLN-IBGZPJMESA-N 296.414 3.542 30 20 CHED CC(C)c1cccc(C(=O)OCCCC(C)(C)C#N)c1N 783117743 UUVGCHWKISTWLD-UHFFFAOYSA-N 288.391 3.879 30 20 CHED COc1cccc(CCC(=O)OCCCC(C)(C)C#N)c1 782601749 SGTXEPVIJJQTTL-UHFFFAOYSA-N 289.375 3.501 30 20 CHED Cc1ccc(-c2cc(COC(=O)CC(C)(C)C#N)on2)cc1 785080254 NSBOVOINRPVCAH-UHFFFAOYSA-N 298.342 3.633 30 20 CHED C=CCc1ccc(OC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c(OC)c1 783562930 ITASWLJCHZCLCN-KKUMJFAQSA-N 286.371 3.765 30 20 CHED C#CCC1(C(=O)N2CCC(C(C)C)CC2)CCCCC1 788225302 QBMQXUIHPUCQNY-UHFFFAOYSA-N 275.436 3.855 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cc2cc(Cl)ccc2o1 788034282 PXPHQWPKDZZVFN-NSHDSACASA-N 293.750 3.863 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(C)c(C)c1 780247314 QRIXVXGMHSJBBY-INIZCTEOSA-N 274.408 3.575 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1cnn(C3CCC3)c1)C2 899379528 AOISDJLTVOFPDW-OVCLIPMQSA-N 278.355 3.739 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(C2(C)CCCC2)on1 1135376032 NHOVABHULRHAJW-UHFFFAOYSA-N 289.379 3.775 30 20 CHED C#CCC1(C(=O)Nc2ccc(C)nc2C)CCCCC1 788224298 AHDDWNVAQVZNFP-UHFFFAOYSA-N 270.376 3.611 30 20 CHED C=CCCOCCCCC(=O)Nc1cncc(SC)c1 891883869 DTZRBNNAUIUBHR-UHFFFAOYSA-N 294.420 3.505 30 20 CHED C#C[C@@H](OC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc(C)cc1 893251931 ZFSPSGIHFVTPSX-IAGOWNOFSA-N 298.382 3.562 30 20 CHED COc1ccc(CCNN=C2CCC[C@H](C)[C@@H]2C)cc1 781126925 IWPXYYTYARSVLM-KBPBESRZSA-N 274.408 3.639 30 20 CHED C#CCC1(C(=O)OCc2ncc(CC)s2)CCCCC1 788459396 KWDHQOIFROFGNZ-UHFFFAOYSA-N 291.416 3.723 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(-c2ccccc2)nc1C 791200869 HGSASXGJFNNPHP-INIZCTEOSA-N 292.382 3.589 30 20 CHED N#CC[C@@H](CC(=O)OCCc1cccs1)c1ccccc1 795987375 UZXCZDMNUFIEEX-HNNXBMFYSA-N 299.395 3.921 30 20 CHED C=CCN(CCC#N)C(=S)Nc1cccc(Cl)c1C 793247135 MMISVRZAEUJOIR-UHFFFAOYSA-N 293.823 3.747 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C\c2cn(CC)nn2)cc1 899387415 LPYZKEOOGCULTM-BSYHEUMXSA-N 283.375 3.708 30 20 CHED CC[C@H](C)NN=C(C)c1sc(C(C)(C)C)nc1C 790189586 PLQXMNWNLRDDTG-VIFPVBQESA-N 267.442 3.861 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2ccccc2O)cc1 797005491 BYIPMTWGMFNKTD-AWEZNQCLSA-N 283.371 3.808 30 20 CHED Fc1ccc(/C=C/C=NNCCC(F)(F)F)cc1F 794935492 HPBHBNHYRCIFCG-RNQMDFJESA-N 278.224 3.506 30 20 CHED Cc1nc(N[C@@H](C)c2nccs2)c(Cl)cc1C#N 386545144 SAGOWUITGMZRLW-QMMMGPOBSA-N 278.768 3.545 30 20 CHED N#Cc1cccc(COC(=O)CCc2cccc(Cl)c2)c1 792766293 TXVNEVNGHZFLED-UHFFFAOYSA-N 299.757 3.888 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C)CC(C)(C)C2)c1 1206305636 JOCOABABRMRMCX-CYBMUJFWSA-N 285.391 3.767 30 20 CHED Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1C#N 799300660 JTCVTVRJWNZDBW-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=C(CC)CN1CCC(N(C)c2ccccc2)CC1 573154359 WJNGQPVEFTWYNI-UHFFFAOYSA-N 258.409 3.553 30 20 CHED COc1ccc([C@@H]2C[C@H]2Nc2cccc(F)c2C#N)cc1 795257995 HDDBYHZYNQDYTF-SUMWQHHRSA-N 282.318 3.674 30 20 CHED C[C@H](COCc1ccccc1)COc1cccc(F)c1C#N 719162001 FSDKTTOLMXYQJR-CQSZACIVSA-N 299.345 3.929 30 20 CHED C=CCCCOC(=O)CCCOc1ccc(C)cc1 735524388 MVBCNFBYBBCVLM-UHFFFAOYSA-N 262.349 3.663 30 20 CHED N#C[C@@H](NC(=O)C1CCC2(CC1)CC2)C1CCCCC1 597341808 HPMNJYVBFMMXDR-OAHLLOKOSA-N 274.408 3.545 30 20 CHED CC[C@H](CC#N)NC(=O)C1CC(C)(C)CC(C)(C)C1 597507011 FXRMFWWRLQOHJK-CYBMUJFWSA-N 264.413 3.647 30 20 CHED N#CCOc1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1 81633309 CUYGNKQVMSAXFN-LSDHHAIUSA-N 270.376 3.970 30 20 CHED Cc1cc(F)cc(C(=O)Nc2ccc(Cl)cc2C#N)c1 695731661 VBZKYPJONSWUJN-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1ccc(NCC2CCC2)c(Br)c1 87584549 SWWCRLXLKAPAKS-UHFFFAOYSA-N 265.154 3.533 30 20 CHED Cc1ccc2c(c1)N(Cc1cccc(C#N)c1F)CCC2 1307467839 UFDOLWQLSOMJIR-UHFFFAOYSA-N 280.346 3.959 30 20 CHED CC(C)N(CCc1ccccc1)C(=O)c1ccc(C#N)s1 1319006021 PGUOEAWURVAUJF-UHFFFAOYSA-N 298.411 3.713 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 1310872801 PZJQTNFCVFKRSB-AXAPSJFSSA-N 285.391 3.813 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1ccc(C#N)s1 1327194940 JTHVDGFJSWTLKU-SNVBAGLBSA-N 265.378 3.735 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2cccc(C#N)n2)CC1 1621127087 RCXCMCYXSNUJRB-CQSZACIVSA-N 271.408 3.601 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc(-c2cccs2)s1 1320886761 UGQUFAYQNGWDLJ-JTQLQIEISA-N 290.413 3.851 30 20 CHED Cc1nsc(Oc2ccc(OCC(C)C)nc2)c1C#N 1326633397 PBTTZUGZVHZQJK-UHFFFAOYSA-N 289.360 3.545 30 20 CHED C[C@H]1CCCC[C@H]1c1nnc(COc2ccccc2C#N)o1 1327012902 NYKWPTHTMOJPLB-GXTWGEPZSA-N 297.358 3.814 30 20 CHED COc1cc(C(C)=NOC(C)(C)C)ccc1OC(F)F 1253789631 QLWRZUIHFJYTKG-UHFFFAOYSA-N 287.306 3.836 30 20 CHED C=C(C)CCC(=O)N1CCc2c(Cl)cccc2C1 1335806096 IBNBMYIPQNHNQC-UHFFFAOYSA-N 263.768 3.581 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1coc(-c2ccccc2)n1 1339982164 XQSLPZKEOLAXJF-CQSZACIVSA-N 297.402 3.802 30 20 CHED C=C(C)CCC(=O)N1CCc2cc(OC)c(Cl)cc2C1 1336506642 SYZLWRMPZSPAJV-UHFFFAOYSA-N 293.794 3.590 30 20 CHED C=C(C)CCC(=O)Nc1cc(-c2ncco2)ccc1C 1337200507 DDLQWTVGUNQUQO-UHFFFAOYSA-N 270.332 3.945 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](C#N)CCc1ccccc1 1262654259 BTEKBGLXOJPKFY-ROUUACIJSA-N 296.414 3.716 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@@H](F)C(C)C)c1cccs1 1345106295 VDWLONYOZMEDAS-WXHSDQCUSA-N 283.368 3.876 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N(C)c1ccccc1 1340401041 ZQYVHOKSWSATMW-GFCCVEGCSA-N 288.420 3.656 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)C1=CCCC1)c1cccs1 1263523864 ACHQVBFUGLAKHD-FZMZJTMJSA-N 275.373 3.992 30 20 CHED C=C(CC)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 1345824476 SSDGDMSEABINJL-CQSZACIVSA-N 295.329 3.748 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1nc(C)c(C)s1 1345132028 AELHSWPZSREHMK-GFCCVEGCSA-N 279.409 3.722 30 20 CHED C=C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C)c1ccccc1 1347018649 NZSWFPQIPFKTPN-FPMFFAJLSA-N 297.320 3.756 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(OCCOC)cc1C 1262274562 BVTYQTWHBXCKBC-AWEZNQCLSA-N 291.391 3.561 30 20 CHED C=C(CC)C(=O)Nc1cc(Cl)ccc1NC1CC1 1346858176 AWINKPIQBHJXQR-UHFFFAOYSA-N 264.756 3.819 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1cc2ccccc2[nH]1 1352043196 RQCADOZUQIOKFV-ZDUSSCGKSA-N 270.376 3.729 30 20 CHED CC1CC(C#N)(C(=O)OCC[C@H]2CCc3ccccc32)C1 1350055238 XKCBMAIRCIGJKA-NSWWBONSSA-N 283.371 3.590 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(Cl)nc2Cl)C1 801539657 LRUWWUYSSSILRR-CYBMUJFWSA-N 284.190 3.514 30 20 CHED CN(C(=O)CCCc1ccc(F)cc1)c1ccc(C#N)cc1 1360680175 SIGVMLMMCYIHNT-UHFFFAOYSA-N 296.345 3.683 30 20 CHED C=C(C)CCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 1515392005 NHPJWHMXJHFFMT-NSHDSACASA-N 260.362 3.553 30 20 CHED Cc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1C 1521609944 SASWUNJBZCRGSP-KRWDZBQOSA-N 278.355 3.939 30 20 CHED CCOc1ccc(C#N)cc1NC1CC2(CCC2)C1 1462070336 JLGDZTMWVVLKNX-UHFFFAOYSA-N 256.349 3.702 30 20 CHED Cc1ccc(CNc2c(F)cc(C#N)cc2F)cc1 110315963 JTDIDUGZUMOYQY-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1cc(F)c(NCCOC2CCCCC2)c(F)c1 111144058 VKQSGYJVJOYENT-UHFFFAOYSA-N 280.318 3.598 30 20 CHED N#Cc1cc(Cl)ccc1SCc1cc(C(=O)O)co1 1601088372 SMHSABYBOYMLRY-UHFFFAOYSA-N 293.731 3.795 30 20 CHED COc1ccccc1[C@H](CC(C)C)N=c1cc[nH]c(C#N)c1 1472721759 RPUXEBWXVJQURR-KRWDZBQOSA-N 295.386 3.583 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNCc1cc(C#N)cs1 1620953499 NFNFSPZPNJTZOQ-ZIAGYGMSSA-N 262.422 3.926 30 20 CHED CS[C@@H]1CCC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 1620913769 VECSZSGNNBEMFG-UONOGXRCSA-N 294.851 3.975 30 20 CHED C=CC(C)(C)CCCNc1nc(Cl)c(C(=O)O)s1 1573346547 BRJWJMZTJXSKAL-UHFFFAOYSA-N 288.800 3.899 30 20 CHED CCC[C@H](CCc1ccccc1)Nc1cc(C#N)nc(C)n1 1651559246 PYLQEFFYJDQENE-MRXNPFEDSA-N 294.402 3.870 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ccc(C(=O)O)cc1 1588453518 ZMXISXWRZAGMFQ-SFHVURJKSA-N 295.382 3.662 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1cc(C)ncc1C#N 1655374838 UFHOXTSFLFWGND-NTEUORMPSA-N 277.371 3.801 30 20 CHED N#Cc1c(F)cccc1OCc1cccnc1C(F)(F)F 1656389384 ZYUQEHMDBRSXGZ-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C[C@H](Sc1cncc(C#N)n1)c1ccc(Cl)cc1 1650699951 KDSJIMKLECRQHS-VIFPVBQESA-N 275.764 3.855 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NCCc1ccc(C#N)cc1 1653373403 RMVUVFYFEDBNSK-YOEHRIQHSA-N 270.420 3.905 30 20 CHED C=CC[C@@H](N[C@H](C)c1csc2ccccc12)C(=O)O 1588745512 JRCHYEHSIBRTAN-ZWNOBZJWSA-N 275.373 3.581 30 20 CHED C[C@H](CCC#N)CNC[C@]1(c2ccccc2)CC1(C)C 1665299046 XYOXNHCQFMUKSD-QAPCUYQASA-N 270.420 3.884 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 1662638469 ZOYJDMWGEYMXRU-XJKSGUPXSA-N 285.391 3.909 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c(C#N)c1 1595726545 MJTXTPBGHVCMNM-JSGCOSHPSA-N 288.366 3.644 30 20 CHED CCCC(CC)=NNc1cccc(C(=O)O)c1F 1595585964 JZXCLNPBMTXMLL-UHFFFAOYSA-N 252.289 3.502 30 20 CHED O=C(O)c1ccc(/C=C2/CCc3ccccc3C2=O)cc1F 1777673485 YLCLDEDIVWGOGV-LCYFTJDESA-N 296.297 3.736 30 20 CHED C=CCCC1(C(=O)O)CCN(CC2CC(C)(C)C2)CC1 1776168351 VKSBOIOKUKATLM-UHFFFAOYSA-N 279.424 3.556 30 20 CHED C=CCC1(C(=O)O)CCN(CCCCCC2CC2)CC1 1776159928 IXQBMUGMNQXRFJ-UHFFFAOYSA-N 279.424 3.700 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2)cc1F 206164876 ZEJVCZWBYZCPOW-CLFYSBASSA-N 256.276 3.730 30 20 CHED C[C@H](CCSc1ccccc1)N1CCC(C#N)CC1 153337552 HHRUAHNRPXIGRT-CQSZACIVSA-N 274.433 3.793 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 155167616 JDJMTAMZCJQAJD-ZFWWWQNUSA-N 275.392 3.624 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CS1 125430683 XVUHNCRRQKTKSP-KWQFWETISA-N 286.322 3.883 30 20 CHED C#Cc1ccc(CN[C@H]2CCCc3ccccc32)cc1 809424771 ZMRUECDWWABOPA-IBGZPJMESA-N 261.368 3.835 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C1 235241382 COKCTYVZFIEEBD-WCQYABFASA-N 291.376 3.553 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(F)c2ccccc12 236162630 LXYHFYBWQVDUGI-UHFFFAOYSA-N 269.319 3.793 30 20 CHED C#CCOc1ccccc1CNc1ccc(F)c(F)c1 19232832 FVEAYOIMDORNMT-UHFFFAOYSA-N 273.282 3.589 30 20 CHED Cc1ccc([N+](=O)[O-])cc1Oc1nccc(C#N)c1Cl 235774652 DGOPEANKUUUQTK-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(C(C)(C)C)cc1 42295893 CBHRTCKMTJZDSP-ZDUSSCGKSA-N 272.392 3.606 30 20 CHED C[C@H]1CCCCN1c1ccc(C(F)(F)F)c(C#N)c1 164374971 QDGDTOFPGBPFRD-JTQLQIEISA-N 268.282 3.956 30 20 CHED Cc1c(Cl)cnc(N(C)Cc2ccccc2)c1C#N 343484180 YDCWUEKGJXWLMO-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1nc2ccccc2n1C 182184565 ANCSWMWXSAECAU-KGLIPLIRSA-N 271.408 3.969 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccccc2C#N)CC1 71029247 CHHIARJGYBLOEP-OAHLLOKOSA-N 256.393 3.816 30 20 CHED C=CCCCCCCNCc1c(C)nn(CC)c1C 307969587 LEMDFSIXLBKHJQ-UHFFFAOYSA-N 263.429 3.746 30 20 CHED Cc1nc(C#N)cc(N(C)[C@H](C)c2cccc(Cl)c2)n1 308158233 CCQGQEJNTLQMMT-SNVBAGLBSA-N 286.766 3.508 30 20 CHED CC(C)c1nc(CNc2cc(F)cc(C#N)c2)cs1 601064581 PXVLYAKULTZKQQ-UHFFFAOYSA-N 275.352 3.889 30 20 CHED CCCC[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 310780426 XKZGBFJNLZSCOO-JTQLQIEISA-N 264.756 3.976 30 20 CHED CC(C)n1ccc(COc2ccc(C#N)cc2Cl)n1 83683058 MUYYSOAIGLHGLI-UHFFFAOYSA-N 275.739 3.568 30 20 CHED N#CC1(C(=O)Nc2ccc(SC(F)F)cc2)CCC1 83794762 VDGNREQDUGEQHS-UHFFFAOYSA-N 282.315 3.634 30 20 CHED Cc1nc(N(C)[C@H]2CC[C@@H](C)C2)c(Cl)cc1C#N 360066048 MUQOIIZGQCPTDO-SKDRFNHKSA-N 263.772 3.540 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCC(C)(C)C1 361471755 UJMASNUVXXNLLT-CQSZACIVSA-N 260.356 3.708 30 20 CHED C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F 389300987 LZLQPUVZQFVHDL-ZCFIWIBFSA-N 289.194 3.885 30 20 CHED N#Cc1ccc(CNc2cncc3ccccc23)s1 396505481 ATLSBCFTNJOGER-UHFFFAOYSA-N 265.341 3.780 30 20 CHED N#Cc1ccsc1C(=O)N1CCC[C@@H]1c1ccccc1 52034328 DJMNNRYRYCIKEX-CQSZACIVSA-N 282.368 3.597 30 20 CHED N#CC1(C(=O)Nc2ccc3c(c2)CCCCC3)CCCC1 404690023 OQYKUSWXZHJOPN-UHFFFAOYSA-N 282.387 3.978 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 177111448 KEHRDJAPMMQHTO-MRXNPFEDSA-N 284.403 3.651 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)oc1C 303037393 YXDHAJQXDMCVCI-UHFFFAOYSA-N 294.354 3.597 30 20 CHED C[C@H](N[C@H]1CCc2c(O)cccc21)c1ccc(C#N)cc1 36991935 PHPCDGNTBYTMBA-SJCJKPOMSA-N 278.355 3.602 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)[C@H](C)c1ccccc1 177582804 ZATRUZYXZHIJKA-LSDHHAIUSA-N 264.372 3.840 30 20 CHED CN(C(=O)c1cc(Cl)cc(Cl)c1)C1(C#N)CCC1 67683968 NZSPRYDLXYSALU-UHFFFAOYSA-N 283.158 3.512 30 20 CHED C=C(Cl)CN1CCS[C@H](C)[C@H]1c1ccccc1 303693278 MNZGIWIDSMZVNG-OCCSQVGLSA-N 267.825 3.918 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1ccc(F)cc1Cl 301277020 MJLNLOCAVTWIAV-SECBINFHSA-N 275.714 3.919 30 20 CHED CCc1oc2ccccc2c1CN(C)c1cccc(C#N)n1 301253358 CGOXLVNNNPIQCX-UHFFFAOYSA-N 291.354 3.898 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)OCC1(CC#N)CC1 174740923 RQQGJSBSFKULHC-AWEZNQCLSA-N 289.400 3.794 30 20 CHED C[C@@H](CNc1cccc(C#N)n1)c1nc2ccccc2s1 301804133 AZQACTNITTXJNG-NSHDSACASA-N 294.383 3.779 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 178550677 DWMOGSNFXJNJKT-BBRMVZONSA-N 283.375 3.663 30 20 CHED CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1ccc(C#N)s1 176972285 AVMKBFIVXHCEPS-DOMZBBRYSA-N 292.448 3.551 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1nc(C)c(C)o1 65789454 ZBHVEIYVMMCTJH-UHFFFAOYSA-N 285.347 3.512 30 20 CHED N#Cc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1F 403993383 FGJRVMODXKQLDP-UHFFFAOYSA-N 284.378 3.756 30 20 CHED CN(C(=O)c1cc2c(s1)CCCC2)c1ccccc1C#N 128646323 QEQYUIJONZENCU-UHFFFAOYSA-N 296.395 3.775 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc(OCC#N)cc1 120675885 WVTFBWHLVSTLEX-VOTSOKGWSA-N 283.352 3.855 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)Cc2ccc(C)cc2)CC1 181773587 LYBCNXILFRNSLJ-HNNXBMFYSA-N 271.404 3.598 30 20 CHED CCC(CC)[C@@H]1C[C@H](Nc2ccc(C#N)cc2)CCO1 302020674 DQFVCPSEHUHHNF-SJORKVTESA-N 272.392 3.954 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC)c(OC(C)C)c1 184196421 JCGGUMRZPPBXFF-LBPRGKRZSA-N 292.379 3.569 30 20 CHED C=CC1CCN(C(=O)[C@H](C)c2cn(C)c3ccccc23)CC1 185371949 UUJKDCSFTAYDOJ-CQSZACIVSA-N 296.414 3.706 30 20 CHED C=C[C@H](CC(=O)N(CC)c1cccnc1)c1ccccc1 128050038 GPRUJHSJJCDSQX-OAHLLOKOSA-N 280.371 3.794 30 20 CHED C#CCC(C)(C)C(=O)N(C)CC(C)(C)c1ccc(C)cc1 185691604 AGPUWUCDGSVPHS-UHFFFAOYSA-N 285.431 3.781 30 20 CHED CCCOc1ccc2c(c1)CCN([C@@H](C)CCC#N)C2 411403142 VSNTYWYXMZOWKU-AWEZNQCLSA-N 272.392 3.526 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C)s2)c1 210334416 AFRMPYYAQXBHDX-FPLPWBNLSA-N 258.342 3.961 30 20 CHED Cc1nnc(NC[C@H](C)Sc2ccccc2)c(C#N)c1C 78505595 IDPKRWCUTKRTPQ-NSHDSACASA-N 298.415 3.558 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2CC)cc1 187427495 OQROBMYMAKSEGJ-CJNGLKHVSA-N 273.376 3.512 30 20 CHED CC[C@H](CC#N)NCc1cc(Cl)cc(Cl)c1OC 184089524 RUYNNQGIOXQINV-LLVKDONJSA-N 287.190 3.784 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cnn(CC)c1 414304315 OODIRXIMOBSZJY-YJBOKZPZSA-N 283.419 3.741 30 20 CHED C=C[C@@H](CC(=O)N1CCc2ccccc21)c1ccccc1 121895408 QWKVSRHTJJSQNI-HNNXBMFYSA-N 277.367 3.936 30 20 CHED C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)[C@H]1C 416684671 AEGGCHHGNFWSIS-WBTNSWJXSA-N 299.418 3.717 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(Cl)cc1 73623900 GSCNKYBLOBOZIH-GFCCVEGCSA-N 280.799 3.565 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 123648031 OBEQQLVBWXEKDA-UHFFFAOYSA-N 287.359 3.901 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)c2cccc(C#N)c2C)C1 509948699 KUNNUFNPJMLPSB-UKRRQHHQSA-N 270.376 3.565 30 20 CHED C=C(C)CCSc1nnc(-c2ccc(OC)cc2)o1 505462443 QYVRJDNXBXGZEK-UHFFFAOYSA-N 276.361 3.804 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)C(F)F 413979087 AJEHGDUQNXJELS-CYBMUJFWSA-N 281.346 3.581 30 20 CHED CCc1ccc([C@H]2CCN(c3ncc(C#N)cc3F)C2)cc1 413299722 IMDAEUVVKKWMMX-INIZCTEOSA-N 295.361 3.649 30 20 CHED C[C@@H](Cc1ccc(Br)cc1)NCCCCC#N 188182154 MMUJYNLDLJTUFR-LBPRGKRZSA-N 295.224 3.664 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 79636597 VKQQHTQOXXGTIW-OCCSQVGLSA-N 276.380 3.511 30 20 CHED C=CCCCN[C@H](c1ccc(OC)cc1)C(F)(F)F 183400626 SRGARAVTJXMJIR-CYBMUJFWSA-N 273.298 3.854 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C 417485040 VUBINOIAXHHSSD-MJBXVCDLSA-N 288.439 3.602 30 20 CHED CC[C@H](CC#N)NCc1csc(-c2ccc(C)cc2)n1 184096429 XZBOSZGKZPAFSE-CQSZACIVSA-N 285.416 3.900 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 503327697 DUMBDHYPOACFCE-CHWSQXEVSA-N 288.391 3.966 30 20 CHED C=CCN[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 180691736 YBDYVDXGKXQZMQ-LJQANCHMSA-N 297.398 3.763 30 20 CHED C=CCNC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 78239853 NTKFJVLEAZHTNX-UHFFFAOYSA-N 287.384 3.648 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 410990305 SRHRPLHUGBPGFT-NXEZZACHSA-N 276.405 3.900 30 20 CHED N#CCC[C@@H](NCc1ccsc1)c1ccccc1 130424880 NIFSXIKKZVBURQ-OAHLLOKOSA-N 256.374 3.883 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCOC2(CCCCCC2)C1 188523975 FSWULGOQVMRBPD-INIZCTEOSA-N 279.424 3.541 30 20 CHED CC(C)(CCC#N)CNCCOc1ccccc1Cl 130652355 HRRDGIOGQCZXIH-UHFFFAOYSA-N 280.799 3.638 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccccc2C)cc1 49873520 LTBMPDBYQHFKCS-KRWDZBQOSA-N 278.355 3.552 30 20 CHED C[C@H](C(=O)N(C)c1ccccc1C#N)c1cccc(Cl)c1 508080407 UPBATVHICNEQGI-LBPRGKRZSA-N 298.773 3.978 30 20 CHED C=CCOc1cccc(NC(=O)CSCCC(C)C)c1 501188582 UTOLUWIXEGFRCM-UHFFFAOYSA-N 293.432 3.969 30 20 CHED CCOc1ccc(/C=C2/Oc3cc(O)cc(C)c3C2=O)cc1 41248358 QDVJOWLZAQUEFC-CXUHLZMHSA-N 296.322 3.716 30 20 CHED C#Cc1cccc(NC(=O)NCc2ccc(C)cc2C)c1 47399728 DSELIDNKDRSFCI-UHFFFAOYSA-N 278.355 3.606 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(C)c2cccc(C#N)c2)C1 131859237 HFOZWGBYTQJAIT-UONOGXRCSA-N 270.376 3.737 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(C(C)=O)c(C)c1 135084982 MGBWKTOJOXAXKE-UHFFFAOYSA-N 294.354 3.690 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(F)c(F)c1 193302538 OGACQYQUZCMARY-MEDUHNTESA-N 291.345 3.666 30 20 CHED CC(C)[C@@H]1CCC[C@H](/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)C1 328819592 POOVSAIQOYAYST-CRWXNKLISA-N 280.412 3.913 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@](F)(c2ccccc2F)C1 424820157 LEIDPJHCHAVFOL-KRWDZBQOSA-N 293.357 3.825 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)Cc1c(C)cccc1C 512219892 PXMAPEDDBCGKDA-UHFFFAOYSA-N 299.414 3.967 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cscc1C 426223633 CTJFEYHJMFDLBO-GFCCVEGCSA-N 266.410 3.601 30 20 CHED C[C@H]1C/C(=C/c2cn(C(C)(C)C)nn2)C(=O)c2ccccc21 191328544 HVMOPNRAKRMSPC-IXJPEXDMSA-N 295.386 3.807 30 20 CHED C#C[C@@H](NC1CC(c2ccc(Cl)cc2)C1)C(C)C 380664391 WLDFDKFIKHQMQN-AVVWSFFYSA-N 261.796 3.833 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@](C)(C#N)CC 516111412 QSAQJPIAKGLBJF-WMZOPIPTSA-N 286.419 3.714 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC(C)(C)OC(C)(C)C1 190527822 WFOUIFXMGUALFH-ZDUSSCGKSA-N 272.392 3.509 30 20 CHED N#CCCCN1Cc2ccccc2[C@H](c2ccccc2)C1 43670102 SIWXQYODJCXCBE-IBGZPJMESA-N 276.383 3.938 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](CC)c1ccc(OC)cc1 425415688 HDSZRTGPKKKKAW-OAHLLOKOSA-N 275.392 3.865 30 20 CHED C=CCC1(CN[C@@H](C)c2ccc(CN)nc2C)CCCC1 423162008 OPDZHRDFKBGFCU-AWEZNQCLSA-N 287.451 3.636 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ccc(C#N)nc2)c(C)c1 426519600 ALZYKWCHYLZHCB-CQSZACIVSA-N 265.360 3.768 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCCCCCC(C)C 233956187 SMDNNQMZGKPKBO-HNNXBMFYSA-N 252.402 3.649 30 20 CHED C=CCCSCCC(=O)Nc1cccc(F)c1C 339094902 ZKXSOMBCWIKLKS-UHFFFAOYSA-N 267.369 3.772 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)c2ccccc12 334803948 LZFKKSKKSNKVIG-ZDUSSCGKSA-N 266.344 3.522 30 20 CHED CC(C)CC1(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 425642558 ZJULVEQXWODNKO-AWEZNQCLSA-N 284.403 3.904 30 20 CHED CC(C)c1ccc(OCCNCc2cccc(C#N)c2)cc1 236682046 VSFSVEGIHNEYMO-UHFFFAOYSA-N 294.398 3.850 30 20 CHED N#Cc1ccnc(Oc2ccc(F)c(F)c2)c1Cl 236258030 MTFPOHMJDPKLJY-UHFFFAOYSA-N 266.634 3.677 30 20 CHED N#Cc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 336484897 BYBQHVYCIOUKIQ-IBGZPJMESA-N 287.366 3.597 30 20 CHED C=C(C)CCN(C)[C@H](COC)c1ccc(Cl)cc1 510782925 XGFFTXLMZCBHMT-OAHLLOKOSA-N 267.800 3.926 30 20 CHED CCCC[C@@H](CC)C(=O)[C@H](C#N)c1nc2ccccc2n1C 98072110 VKXIXUHITNAPFE-KGLIPLIRSA-N 297.402 3.966 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@@H](c2ccccc2)C1 432562559 LUHYIAAGXXHNPF-MRXNPFEDSA-N 286.419 3.788 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)Cc1ccc(C)cc1 436312115 JQTHOUAJYAQXMI-OTWHNJEPSA-N 287.447 3.887 30 20 CHED C=CCC[C@H](NC[C@H](c1ccsc1)N(C)C)C1CC1 439089489 VFHCDSRXRKPRJV-JKSUJKDBSA-N 278.465 3.685 30 20 CHED C[C@@H]1OCCC[C@H]1C(O)=Nc1ncc(-c2ccccc2)cn1 330139547 WJFYNALRYRFPGF-SWLSCSKDSA-N 297.358 3.547 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(F)c1 433102152 ICSPFMJYAIRPAX-AWEZNQCLSA-N 282.318 3.537 30 20 CHED C=CCOc1ccc(C(=O)NCC2(CC)CCC2)cc1 438514804 RYHVSIZMHYYVBO-UHFFFAOYSA-N 273.376 3.562 30 20 CHED C=CCOc1ccc(CN(C)[C@H]2CC[C@@H](C)C2)cc1OC 433044940 ORIBMHZOOCMMBP-ZBFHGGJFSA-N 289.419 3.880 30 20 CHED CCc1ccc([C@@H]2CCN(c3nccc(C)c3C#N)C2)cc1 431494610 MYFGENDHGIJXPK-QGZVFWFLSA-N 291.398 3.818 30 20 CHED CC1(C)C(NC(=O)N[C@@H](CCC#N)c2ccccc2)C1(C)C 438846419 JWNDZMKQJNBEPN-AWEZNQCLSA-N 299.418 3.765 30 20 CHED N#CC1(CN2CCC[C@@]3(CCc4ccccc4O3)C2)CCC1 528728060 IIEVUXBEHSWUEL-LJQANCHMSA-N 296.414 3.540 30 20 CHED CCO[C@@H](C)c1nccn1Cc1ccc(C#N)cc1Cl 438899409 ZLAUXFZAKFPOKF-NSHDSACASA-N 289.766 3.554 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)Nc2n[nH]cc2C#N)cc1 601641525 RQKLCQWRZCJMOI-LBPRGKRZSA-N 296.374 3.537 30 20 CHED C=CCC(CC=C)C(=O)Nc1scnc1C1CC1 342872902 IWXVPBQIVSGWAQ-UHFFFAOYSA-N 262.378 3.727 30 20 CHED N#Cc1ccc(NCCN2Cc3ccccc3C2)cc1Cl 609505648 AZWCTJVJZGYKRF-UHFFFAOYSA-N 297.789 3.639 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H](c2cccnc2)C(C)C)c1 255329459 MPOZDHLRSAKSJL-LELXDKESSA-N 298.386 3.655 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccn(C(C)C)c2C)n1 344641303 TZXNNWGXKXHFMJ-CYBMUJFWSA-N 287.388 3.632 30 20 CHED C=C(C)[C@H](NC(=O)c1[nH]ccc1C)c1ccc(F)c(F)c1 436104309 LMHYBWOXJIXNET-AWEZNQCLSA-N 290.313 3.649 30 20 CHED Cc1nnc(S[C@H](C#N)C2CC2)n1[C@H]1CCC[C@@H](C)C1 601080209 OAMOQCSXAYDXAD-DDTOSNHZSA-N 290.436 3.732 30 20 CHED CCC1(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 346175790 GSZKIBYNEJIYAL-UHFFFAOYSA-N 290.366 3.610 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2cnccc2C)n1 340816041 HOAZRAWNOOZENG-SREVYHEPSA-N 269.348 3.797 30 20 CHED C=C(CNCc1cn2cc(Cl)ccc2n1)c1ccccc1 603511529 HILORFVFOCKALM-UHFFFAOYSA-N 297.789 3.791 30 20 CHED Cc1csc(CON=Cc2ccc(Cl)cc2)n1 255718806 QFQLOINKWVCUJH-UHFFFAOYSA-N 266.753 3.656 30 20 CHED Cc1ccc2c(Cl)c(C(=O)NC[C@H](C)C#N)sc2c1 609524054 LXRSFSZNNPYGLK-SECBINFHSA-N 292.791 3.753 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(OC(F)(F)F)c2)C1 442876190 PIVQQJKIWHQDKG-GXSJLCMTSA-N 270.254 3.689 30 20 CHED COc1ccc2c(c1)CC[C@H]2NCC1CCC(C#N)CC1 601280319 NPGRXOVRKMFWFA-WTNGLUPJSA-N 284.403 3.602 30 20 CHED CCC[C@H](C(=O)N(C)[C@H](C)C#N)c1cccc(Cl)c1 602339110 HUKFRWQQJQTPLA-RISCZKNCSA-N 278.783 3.594 30 20 CHED CC(C)(C)OCCCCN1CCc2ccc(C#N)cc21 354667799 HJPBXJZBKIEGIH-UHFFFAOYSA-N 272.392 3.516 30 20 CHED CCOC(=O)Cc1cccc(Nc2cccc(F)c2C#N)c1 609965373 IEXRFXSILSHWMD-UHFFFAOYSA-N 298.317 3.547 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1nc(C(C)C)c(C)s1 352495497 MFJMHASGOGVCJG-UHFFFAOYSA-N 294.464 3.836 30 20 CHED N#Cc1ccc(-c2nc(CSCc3ccco3)no2)cc1 355588124 QZZUGBSTSOUPRI-UHFFFAOYSA-N 297.339 3.635 30 20 CHED N#CC[C@@H](CC(=O)N1CC[C@H](CC2CC2)C1)c1ccccc1 359693389 HHEBFVZKBDNFKM-AEFFLSMTSA-N 296.414 3.723 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1ccc(O)cc1 604498223 OQXUUBLDJYQKGI-HNNXBMFYSA-N 255.342 3.619 30 20 CHED N#CCCCCN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 268397268 STXCCPBXJDHEFM-HZPDHXFCSA-N 290.407 3.642 30 20 CHED CCC(CC)N(Cc1cc(C#N)ccc1OC)C1CC1 533332268 WKGIUTVQHDXWHY-UHFFFAOYSA-N 272.392 3.720 30 20 CHED COC[C@H](CC(C)C)Nc1cccc(OCCCC#N)c1 537424482 CWQWWXKFJMHFKM-INIZCTEOSA-N 290.407 3.842 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1cc(C#N)ccc1F 530902155 KULAQSNLOPUQSU-CYBMUJFWSA-N 280.346 3.817 30 20 CHED CCC(CC)CN(CCC#N)c1ccccc1[N+](=O)[O-] 533639718 RZSNTWBJXXNIOE-UHFFFAOYSA-N 275.352 3.751 30 20 CHED C=CCOCCCS[C@H](C)c1ccc(C#N)cc1 359111522 YCUNTTADNULCHN-CYBMUJFWSA-N 261.390 3.945 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N(Cc1ccccc1)CC(C)(C)C 448914828 SUCBSMXLLLFYBO-RDTXWAMCSA-N 284.403 3.611 30 20 CHED CC(C)CN(C(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1ccc(C#N)cc1 448820859 FTXMOGYCEGPQBH-XYJFISCASA-N 296.414 3.983 30 20 CHED C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@](F)(C#N)C1 615647044 STAOMHMYBSCMST-RNCFNFMXSA-N 287.165 3.992 30 20 CHED C[C@@H]1CCCC[C@H]1OCCNC1CCC(C)(C#N)CC1 449084859 ZHKNUIGVWIFCME-KZYLPZIUSA-N 278.440 3.644 30 20 CHED CC[C@H](N[C@H](C)CN1CCCCCC1)c1ccc(C#N)cc1 447609334 XWXSEWGTEBETRA-APWZRJJASA-N 299.462 3.863 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](c2cccnc2)C(C)C)C1 617779491 BMRUZZOHRZUYMB-DOTOQJQBSA-N 286.419 3.636 30 20 CHED C=CCC[C@H](NC(=O)Cc1ncccc1F)c1ccccc1 350477228 KYEKVHULUFLUIA-INIZCTEOSA-N 298.361 3.587 30 20 CHED C=C(C)CCc1noc(-c2cc(-c3ccccc3)[nH]n2)n1 351620218 NXRDERSNSDVXLC-UHFFFAOYSA-N 280.331 3.635 30 20 CHED C[C@H](NC(=O)NC[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 610355630 AWNLSOZIJWETGD-ZQIUZPCESA-N 299.418 3.745 30 20 CHED CSc1ccccc1CN(CC#N)C1CCCC1 358049061 NTSLFYIYIPYVRY-UHFFFAOYSA-N 260.406 3.677 30 20 CHED N#Cc1csc(-c2nc(-c3cccc4[nH]ccc34)no2)c1 355930147 CJFQCJOBZXGAEH-UHFFFAOYSA-N 292.323 3.818 30 20 CHED C=CCC[C@@H](CC)Nc1cccc(CCC(=O)O)c1 263527749 UUNYCZMPMMMALZ-CQSZACIVSA-N 261.365 3.861 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(F)cc1O)c1ccccc1 536220941 WZMHWTMACMSEBZ-GFCCVEGCSA-N 285.318 3.830 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H](C)C(CC)CC 535614946 ZUTAGLRAHHNKQD-AWEZNQCLSA-N 289.419 3.940 30 20 CHED CC1(C)CCCC[C@H]1C(=O)N[C@H](C#N)c1ccccc1F 447479774 JSMMAQWBKNBIBC-DZGCQCFKSA-N 288.366 3.723 30 20 CHED N#CCN(C(=O)c1cccn1C1CCCC1)C1CCCC1 352512074 VMQAPWUSUGFHSV-UHFFFAOYSA-N 285.391 3.512 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2ccncc2)cc1 351958475 KWSLIIZXKVRIDR-KRWDZBQOSA-N 295.342 3.752 30 20 CHED N#Cc1ccn(Cc2ccc(Br)cc2Cl)c1 535126403 SWZJFDCLTITALO-UHFFFAOYSA-N 295.567 3.824 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@](C)(C#N)C2)o1 612406961 YFROSSOPEWFAPE-INWMFGNUSA-N 258.365 3.529 30 20 CHED C[C@@H](NCCCC#N)c1ccc(OCc2cccnc2)cc1 537021543 BOCGBVSMCPZTQD-OAHLLOKOSA-N 295.386 3.615 30 20 CHED C=C(CC)CNc1cc(F)ccc1OC[C@@H]1CCCO1 539096024 YZORERJUSVUAQY-AWEZNQCLSA-N 279.355 3.762 30 20 CHED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 459872064 GOQGBJOFZDVILC-QAETUUGQSA-N 291.435 3.539 30 20 CHED C=CCC[C@@H](Nc1cccc(CCO)c1)c1ccco1 453421374 WNXKVCVESDDDSZ-MRXNPFEDSA-N 271.360 3.934 30 20 CHED CC#CCCNC(=O)N[C@@H](CC1CCC1)c1ccccc1 361541954 UWYLJPZKPSPNGR-KRWDZBQOSA-N 284.403 3.631 30 20 CHED N#CC1(C(=O)NCC[C@H]2CCc3ccccc32)CCCCC1 452318101 RKQXNDPUIQBOTC-MRXNPFEDSA-N 296.414 3.697 30 20 CHED C=CCN1CC[C@@H](Nc2ccccc2-c2ccccc2)C1=O 539710214 JPJLBSJWKHFNCW-GOSISDBHSA-N 292.382 3.552 30 20 CHED C[C@H](C#N)CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 264020919 WJCKXPAWQYGYHM-GHMZBOCLSA-N 270.298 3.858 30 20 CHED C[C@H](NCCCCC#N)c1ccc(Cl)c(F)c1 611248369 GTPQLRISHMOABZ-JTQLQIEISA-N 254.736 3.824 30 20 CHED CC(C)(C#N)CNCc1ccc(-c2ccccc2)o1 612588263 WJOAZPKUCJILIA-UHFFFAOYSA-N 254.333 3.586 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)C1CCCCC1 610352416 YSOHKXMRFNYWIV-UONOGXRCSA-N 299.418 3.887 30 20 CHED CC(C)CC[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 618807170 SWBJDPYEZMNKRU-DYVFJYSZSA-N 256.393 3.960 30 20 CHED C=CCCCN[C@@H](c1cccs1)C1(CO)CCC1 452063908 YEAALRPSTYZPFJ-AWEZNQCLSA-N 265.422 3.508 30 20 CHED CC[C@@H](NCc1ccnc(C#N)c1)c1ccc(Cl)s1 612477773 ZIMHICZOPKRMEY-GFCCVEGCSA-N 291.807 3.909 30 20 CHED C[C@H](CC(=O)N1CCc2ccc(C#N)cc21)CC(C)(C)C 611139553 FPRYOSBHQDSZRG-CYBMUJFWSA-N 284.403 3.910 30 20 CHED C=CC1CCN(c2nnc(CCCC)n2CC(C)C)CC1 549841276 HLSNBLSSDZTIIF-UHFFFAOYSA-N 290.455 3.679 30 20 CHED CO[C@@](C)(CN[C@H]1CCCCc2cc(C#N)ccc21)C1CC1 361002170 IHUUUNUDTQYSSG-OALUTQOASA-N 298.430 3.730 30 20 CHED C[C@H]1C[C@H](C)CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 279754084 YHTDFLCGMZTUGS-KBPBESRZSA-N 284.403 3.606 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 279568843 YKXRQDFNLXQRSQ-UHFFFAOYSA-N 287.146 3.577 30 20 CHED C=CCCCc1nc(-c2ccccc2OCC)no1 546320444 IVFGOUZJEZDSOO-UHFFFAOYSA-N 258.321 3.644 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2F)ccc1CN(C)C 459739218 AUPHZXAZLYQVEZ-UHFFFAOYSA-N 297.377 3.680 30 20 CHED C=C(C)CCSc1nnc(-c2cccnc2)n1C1CC1 274717395 CUAWGIIPONHZPJ-UHFFFAOYSA-N 286.404 3.733 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(C)c(C(C)=O)c1 620856786 ABKXNVRNDXOTEL-UHFFFAOYSA-N 273.376 3.672 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(Cl)c1Cl 453373997 WNHWJQMBMKMVQW-BIMULSAOSA-N 286.202 3.988 30 20 CHED C=CCN(C(=O)/C=C/c1ccc(Cl)s1)C1CC1 271496989 JYXRJNCQXAQSOH-SOFGYWHQSA-N 267.781 3.592 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC=C(c2ccco2)C1 367774287 FCCQYMSTPXWQMT-AWEZNQCLSA-N 288.391 3.823 30 20 CHED O=[N+]([O-])c1ccc(/C=N/O[C@@H]2CCCc3ccccc32)o1 271763648 ZQBQNLVPNANTBW-DWKHYPNZSA-N 286.287 3.616 30 20 CHED C=CCCC(=O)NCCn1c2ccccc2c2ccccc21 543356378 NKZPCFUAMJPSKM-UHFFFAOYSA-N 292.382 3.877 30 20 CHED CN(Cc1ccc2ccccc2c1)C(=O)CC(C)(C)C#N 278634964 YMGKAHXWQKHFMP-UHFFFAOYSA-N 280.371 3.738 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H]1CCO[C@@H](CC)C1 543802195 UTHIZOSOUKXBIJ-CABCVRRESA-N 294.439 3.560 30 20 CHED CC[C@@H](CSc1ccccc1)NC(=O)CC(C)(C)C#N 278284193 BZTPGZHDDXQFEW-ZDUSSCGKSA-N 290.432 3.613 30 20 CHED C=CCC1(C(=O)N2CCC(c3ncco3)CC2)CCCC1 627944184 SGIOMDBLWBGQOZ-UHFFFAOYSA-N 288.391 3.517 30 20 CHED C/C(=N\OCCCn1ccnc1C)c1cc2ccccc2o1 271239792 XWIKHQJMROODJK-CPNJWEJPSA-N 297.358 3.769 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2c(F)cccc2OC(F)F)C1 274237575 VBGHOGTVNLEAGB-MNOVXSKESA-N 298.308 3.599 30 20 CHED N#Cc1cccc(CCN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 466412646 UTWMCMOHKSOWCF-MTHXSQLBSA-N 280.415 3.515 30 20 CHED CC(C)c1ccc(CC2CCN(CCC#N)CC2)cc1 462463809 MIUMJSDLGKCAJI-UHFFFAOYSA-N 270.420 3.978 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 465239247 UCUKJIDIQFTWQH-LLVKDONJSA-N 274.364 3.611 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 460934344 RVLFYCCDINJDNW-UONOGXRCSA-N 276.428 3.602 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCc2c[nH]nc2C1 374560126 OEDHAEDVQXXNTI-HNNXBMFYSA-N 291.439 3.524 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1 465143594 AOHUDDGLAQPBNV-CYBMUJFWSA-N 267.328 3.783 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC(C)(C(C)C)CC1 466377060 BNACNPDHNMAQBF-AWEZNQCLSA-N 266.429 3.809 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H]2CC[C@H](CC)O2)c1 464926479 LXKVKQJJCCGKAA-HOCLYGCPSA-N 289.375 3.538 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1cc(F)ccc1F 620861155 DIKZGDBASBEQQW-UHFFFAOYSA-N 281.346 3.758 30 20 CHED CC#CCCCC(=O)NCc1ccc(-c2ccccc2)o1 464651145 CTAUYFPXVZZBLO-UHFFFAOYSA-N 281.355 3.756 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1cc(F)c2ccccc2c1 551454944 RJFQAQOAJRRNRR-OAHLLOKOSA-N 284.334 3.647 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C 467412911 KRIJSMXDFGKPTN-HOCLYGCPSA-N 298.434 3.889 30 20 CHED C[C@H](C#N)CNC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 555990448 GVRMFHSRWUJOLR-TZMCWYRMSA-N 285.391 3.506 30 20 CHED CC(C)N(CC1CCC1)C(=O)[C@@H](C)c1cccc(C#N)c1 464479605 WXFWELWTBBAJJN-AWEZNQCLSA-N 284.403 3.699 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc(Cl)s2)no1 289057245 LIESEFYJVXJGFZ-ZDUSSCGKSA-N 298.795 3.932 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)NC[C@H](C)C#N)c2)o1 559444996 XIHTXZVNAUTILI-LLVKDONJSA-N 297.358 3.845 30 20 CHED Cc1ccc(-c2ccnn2C)cc1N[C@H]1CCC[C@@H](C#N)C1 281156021 BBPMVWSDUOQXCN-ZBFHGGJFSA-N 294.402 3.890 30 20 CHED C=C1CCN(C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 469920442 STBZHUAUWGRGFL-AWEZNQCLSA-N 277.383 3.665 30 20 CHED N#Cc1ccc(N[C@@H]2CCOc3c(F)ccc(F)c32)cc1 461998376 UEPAAQCEOSANIZ-CQSZACIVSA-N 286.281 3.772 30 20 CHED C=C[C@H](CO)N[C@H]1CCCc2cc(SC(F)F)ccc21 289866343 RFWSQKOYCUPHBM-RISCZKNCSA-N 299.386 3.515 30 20 CHED C=C(C)CCc1noc(Cc2ccc(OC(F)F)cc2)n1 285253037 XDMDEJYJJHHUFT-UHFFFAOYSA-N 294.301 3.771 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 462188501 IOMSBEDGMMWQLL-BRSBDYLESA-N 296.414 3.721 30 20 CHED CCCC(C)(C)CC(=O)Nc1ccccc1CC#N 554750383 KPEMZGVBJXNPFM-UHFFFAOYSA-N 258.365 3.908 30 20 CHED CO[C@]1(C)CCCN([C@H](C)c2ccc(C#N)cc2)CC1 280635091 XROUMRRKCICKIG-RHSMWYFYSA-N 272.392 3.510 30 20 CHED C[C@H](CC#N)NC(=O)C(C)(C)c1cccc2ccccc12 294740305 OEQZPIQJERXFCA-CYBMUJFWSA-N 280.371 3.536 30 20 CHED CCN(Cc1ccccc1)C(=O)[C@@]1(C#N)CC12CCCC2 294566547 VADSWWAFAPWQLP-SFHVURJKSA-N 282.387 3.509 30 20 CHED C#C[C@H](CC)N[C@H](C)Cc1cccc(C(F)(F)F)c1 809685688 LMCGENWHBBEHGN-BXUZGUMPSA-N 269.310 3.638 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](c1nccn1C)C1CC1 637964631 BSBOVJIMZUHBOQ-KRWDZBQOSA-N 299.393 3.699 30 20 CHED Cc1ccc(C)c(C(=O)COc2cc(F)cc(C#N)c2)c1 385605894 HRHCWKAGGMJXRL-UHFFFAOYSA-N 283.302 3.576 30 20 CHED C#C[C@H](C)N[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 809683933 LDQPKNBCJNTYDS-WHOFXGATSA-N 281.321 3.953 30 20 CHED C=CCCC1(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)CC1 565016201 REOQRSGCGHEGNR-ZBFHGGJFSA-N 269.388 3.952 30 20 CHED N#Cc1cccc(NC(=O)N(CC2CC2)C2CCCCC2)n1 567827825 VWDFQOIPZDKAGJ-UHFFFAOYSA-N 298.390 3.530 30 20 CHED CC[C@@H](Cc1ccccc1)Nc1ccc(C#N)c([N+](=O)[O-])c1 564558335 IKMYDFJWAQYSNE-HNNXBMFYSA-N 295.342 3.900 30 20 CHED CC(C)(C)CCC(=NN[C@H]1CCSC1)c1cscn1 808001300 IZIFRHKNAPKJQZ-NSHDSACASA-N 297.493 3.769 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccc(Cl)s1 294191779 BAAFFUFCROXDKO-UHFFFAOYSA-N 257.786 3.572 30 20 CHED C[C@@]12CCN(c3cccc(F)c3C#N)C[C@@H]1C2(Cl)Cl 804706199 QDWCSSKTHDPTAH-QWHCGFSZSA-N 299.176 3.717 30 20 CHED N#Cc1sc(NCCc2ccc(F)c(F)c2)nc1Cl 804646173 QRWCZLWLXPTQFB-UHFFFAOYSA-N 299.733 3.601 30 20 CHED COc1cc(NCc2ccc(C#N)s2)cc(OC)c1C 292731262 QCLBZWHSGYGTGR-UHFFFAOYSA-N 288.372 3.558 30 20 CHED N#CCn1c(/C=C/c2ccc(Cl)nc2)nc2ccccc21 806563258 ULFSRQSJRXZMNZ-SOFGYWHQSA-N 294.745 3.779 30 20 CHED CCCn1c(-c2cc(C#N)n(C)c2)nc2cc(Cl)ccc21 478243251 HAHJUINSDWNHCV-UHFFFAOYSA-N 298.777 3.977 30 20 CHED CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(C#N)c(C)c1 566223644 SXDSZUVOVCSQIF-OLZOCXBDSA-N 290.432 3.652 30 20 CHED C=CC[C@@H](C(=O)NCC1CC(F)(F)C1)c1ccccc1 293723441 SUHGNYBEGLJFME-CQSZACIVSA-N 279.330 3.508 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 298695921 SYPDFHIEPUQJRO-CPUCHLNUSA-N 299.418 3.839 30 20 CHED C#CCC1(c2nc(C3(OC)CCCC3)no2)CCCCC1 809456128 SIJHUVCMGGYNDK-UHFFFAOYSA-N 288.391 3.711 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c(C)o1 299119076 DVUXREMLFVDWTK-UHFFFAOYSA-N 298.342 3.808 30 20 CHED N#Cc1cccc(CN[C@@H]2CCc3ccc(Cl)cc32)c1 479146229 YGGCREFCYMFTOC-QGZVFWFLSA-N 282.774 3.989 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C\c2ccsc2)cc1 803374814 STPPSMAOYSUHNP-YVMONPNESA-N 299.395 3.643 30 20 CHED CC[C@@H]1CC[C@H](C)N1Cc1ccc(O[C@@H](C)C#N)cc1 809768319 HWGSDUHSOPBGBA-OFQRWUPVSA-N 272.392 3.740 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](NC(C)C)C2)CCCCC1 648907905 KSRQGSLSBHUOSI-MRXNPFEDSA-N 292.467 3.502 30 20 CHED C=CCC1(C(=O)N2CCC(OCC)CC2)CCCCC1 648173773 VADUQLHUODBLOX-UHFFFAOYSA-N 279.424 3.541 30 20 CHED C#C[C@@H](NCc1cc(C)ccc1O)c1ccc(Cl)cc1 811516511 NWKSASAQJGFFTQ-MRXNPFEDSA-N 285.774 3.818 30 20 CHED O=C1/C(=C\c2cnn3ccccc23)Oc2cccc(Cl)c21 811699527 TVVUUHDEEVNZDR-RIYZIHGNSA-N 296.713 3.604 30 20 CHED CCc1cc(C#N)c(NC(=O)C2(F)CCCCC2)s1 812926804 JCSKFNYOJLLWDO-UHFFFAOYSA-N 280.368 3.793 30 20 CHED Cc1[nH]c(=Nc2cccc(CC(F)(F)F)c2)ccc1C#N 488050740 ORLNQJCLUGXQLW-UHFFFAOYSA-N 291.276 3.532 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(C)nc1C 814686703 WVADUZISXMYWMF-UHFFFAOYSA-N 275.302 3.813 30 20 CHED CC(C)OCCON=Cc1ccc(F)c(C(F)(F)F)c1 812240513 SUFXXEIITSFITH-UHFFFAOYSA-N 293.260 3.620 30 20 CHED c1ccc2c(c1)OC1(CCC1)CC2=NOCC1CC1 814241225 GVPAEHYBCPWAKT-UHFFFAOYSA-N 257.333 3.523 30 20 CHED Cc1cc(Cl)cc2c1O/C(=C\c1ccc(F)nc1)C2=O 811696593 FTYSGOQEROTZLJ-XGICHPGQSA-N 289.693 3.799 30 20 CHED CC(Cc1c(Cl)cccc1Cl)=NNC[C@@H](C)C#N 814881644 SUDRHFABIBTMTQ-VIFPVBQESA-N 284.190 3.661 30 20 CHED CCCOc1ccc(C(C)(C)NCC2(C#N)CC2)cc1 483279563 NCCMGKWXONKRBN-UHFFFAOYSA-N 272.392 3.604 30 20 CHED COCCC(C)=NNc1ncc(C(F)(F)F)cc1Cl 814697690 XZWVEZBEQKXOMG-UHFFFAOYSA-N 295.692 3.578 30 20 CHED C[C@@H](NN=C1CCCC[C@@H]1CCCO)c1ccccc1 814815139 ODRNFNXFKSFNJJ-GDBMZVCRSA-N 274.408 3.656 30 20 CHED C#CC[C@@H](Nc1nccc(C(C)(C)C)n1)c1ccccc1 814868302 OBNOFGSSZUMUDW-OAHLLOKOSA-N 279.387 3.951 30 20 CHED C[C@H](C#N)Oc1ccccc1NCC[C@H]1CC1(Cl)Cl 819076261 WWERZUAWABUGPS-MNOVXSKESA-N 299.201 3.973 30 20 CHED FC(F)(F)COc1ccc(NN=C2CCCC2)cc1 727262125 KZWMLIFYPMYQDC-UHFFFAOYSA-N 272.270 3.970 30 20 CHED C=CCC1(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)CCOCC1 657632132 ACVZGNLDXWOJMN-UHDSXZAQSA-N 275.436 3.526 30 20 CHED C=C(C)CNC(=S)Nc1cc(-c2ccncc2)ccc1C 726134829 LZQATMVLRMTHPY-UHFFFAOYSA-N 297.427 3.920 30 20 CHED CC(C)CN(CCC#N)Cc1cccc(OC2CC2)c1F 824503273 RFZHLKXTLTYKJP-UHFFFAOYSA-N 290.382 3.739 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CCC[C@H]1CC)c1ccccc1 827395193 DUKZKMRYKNUDNY-PVAVHDDUSA-N 269.388 3.694 30 20 CHED C#CCCOc1ccc(C(=O)N(CC)C2CCCCC2)cc1 822406595 NYRWUIGAJJSJGH-UHFFFAOYSA-N 299.414 3.884 30 20 CHED C/C=C/C=C\C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 491648039 YAYLQKUAXHOPDR-ODSMCTQNSA-N 294.276 3.519 30 20 CHED C=C(C)CNC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 490045260 UFJMALLJUSDIHV-CQSZACIVSA-N 275.392 3.578 30 20 CHED C=CCCCN1CCO[C@H](c2ccc(OC(F)F)cc2)C1 499261730 FAVAIZTXGLZBLY-HNNXBMFYSA-N 297.345 3.628 30 20 CHED C#CCCCC(=O)Nc1ccc(CSCC)cc1 836990122 XYSMMANQAAQEKS-UHFFFAOYSA-N 261.390 3.682 30 20 CHED C#C[C@@H](CCC)NC(=O)N(Cc1ccc(C)s1)C(C)C 820641102 UEFVFJQUXADSRE-AWEZNQCLSA-N 292.448 3.778 30 20 CHED C[C@]1(C=NNc2ccc(F)c(F)c2)CCCS1 901317614 KZCDTCALGSDZIJ-GFCCVEGCSA-N 256.321 3.648 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1cccc(C#N)c1 734301617 IELVPHIOOZKFCK-UHFFFAOYSA-N 289.260 3.812 30 20 CHED Fc1cccc(C=NNc2cccc(C(F)(F)F)n2)c1 739421084 CNWJRRPZCASSAW-UHFFFAOYSA-N 283.228 3.686 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C=C2CCCC2)cc1 731193021 YYXQVTVIABBDKG-UHFFFAOYSA-N 298.386 3.832 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccccc2OCC)no1 581936496 SZNVRIAOBIREDR-MRXNPFEDSA-N 272.348 3.989 30 20 CHED C=CCC[C@H](NC[C@H](CCC)c1ccccc1)C(=O)O 901690526 PKZZBAORBUKMFL-HOTGVXAUSA-N 275.392 3.579 30 20 CHED C#CCC[C@@H](C)OC(=O)C[C@@H](C=C)c1ccccc1 839037063 LSHPFSBAXYQPOV-HUUCEWRRSA-N 256.345 3.691 30 20 CHED C[C@H]1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)CC1 589342424 QWZCQSFGUMSJDW-SRCQZFHVSA-N 254.377 3.714 30 20 CHED CCCCCCCCc1nnc(NC(=O)N(C)CC)s1 732922653 ZXHYVNVUHZJCNO-UHFFFAOYSA-N 298.456 3.925 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cnn1C 588397245 JGACHKAEILFNGR-XQRVVYSFSA-N 295.169 3.931 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C#CC(C)(C)C)o1 837448006 WKJDZBFERFBRCC-HIFRSBDPSA-N 287.403 3.937 30 20 CHED Oc1ccccc1/C=N\[C@@H]1C[C@@H]1c1c(F)cccc1F 734752571 GXKWHDXWPQGBOO-YNNSJHJWSA-N 273.282 3.645 30 20 CHED CCCC[C@H](C)C(=O)N[C@H](C#N)c1ccc(CC)cc1 589075440 KSEFAPGLOKWDGJ-XJKSGUPXSA-N 272.392 3.756 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1CCCCC1(F)F 837822630 BHUVXWBBWMMJCX-LLVKDONJSA-N 273.323 3.685 30 20 CHED C[C@H](CC1CCCC1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839054365 NXWSPBIBMAUBKD-VHDGCEQUSA-N 263.381 3.828 30 20 CHED Cc1ccc(F)c(C=NNc2cc(F)cc(F)c2)c1 734981068 YDZRFMPMTPRGQI-UHFFFAOYSA-N 264.250 3.858 30 20 CHED CC(C)[C@@H](C#N)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 731881523 FKEJNZFAKJHYDU-YCABEKBOSA-N 284.403 3.662 30 20 CHED Brc1ccc(NN=CC2CCCCC2)cn1 732712645 DGXWOJLRUXJSAI-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CC(CCc1cccc(F)c1)=NNc1nccnc1Cl 733078833 MADUDZRTSNWYLY-UHFFFAOYSA-N 292.745 3.690 30 20 CHED CC(C)(C#N)CCC[S@](=O)c1ccc(Cl)c(F)c1 593010036 XCQNJWVGCLHDSC-SFHVURJKSA-N 287.787 3.917 30 20 CHED C=CCN(C(=O)N[C@@H](c1cccs1)C1CC1)C(C)C 918063414 XNTVSEGFBOUOFF-CQSZACIVSA-N 278.421 3.805 30 20 CHED CC(C)c1cccc(C[S@](=O)CCCCC#N)c1 596038589 IGEWKBYMVAHXDQ-GOSISDBHSA-N 263.406 3.753 30 20 CHED CC(C)CCCOC(=O)/C=C\c1ccccc1C#N 918496107 SAADFPUBDRYEMK-KTKRTIGZSA-N 257.333 3.551 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](C)c1ccccc1C(F)(F)F 594088006 FYNGHDQROHYVOT-WDEREUQCSA-N 298.308 3.569 30 20 CHED COc1cc(C)nc(NN=C(C)CCc2cccc(C)c2)n1 747634226 BJGBCGZMFWCXHO-UHFFFAOYSA-N 298.390 3.523 30 20 CHED C=C(C)COc1cccc(NCc2nccs2)c1 676322733 NZIFQLYHIBYWQC-UHFFFAOYSA-N 260.362 3.710 30 20 CHED CCN(CC)c1ccc(CNc2ncc(C#N)cc2F)cc1 840247062 WFXJTKFGGLSZDW-UHFFFAOYSA-N 298.365 3.551 30 20 CHED C=CCC[C@@H](CC)Nc1ccc2ccn(C)c(=O)c2c1 671303310 KOOMWILWOHPVFR-CQSZACIVSA-N 270.376 3.695 30 20 CHED COCCOc1ccccc1CNc1ccc(C#N)cc1C 846748209 KDUCDAMGUZZWPO-UHFFFAOYSA-N 296.370 3.504 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842942243 HYRXNPIDBGUDJQ-UPJWGTAASA-N 288.416 3.879 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)[C@@H](C#N)CCc1ccccc1 597752605 DYPNIBOYIGVGAP-GDBMZVCRSA-N 284.403 3.548 30 20 CHED C=C[C@H](C)ONC(=O)N(CC)[C@H](CC)c1ccccc1 845633866 OVPSOFZBCYMPCT-DZGCQCFKSA-N 276.380 3.675 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1c(C)cccc1C)CC(C)C 593749244 CNCQPVJOXXGZQB-MRXNPFEDSA-N 286.419 3.838 30 20 CHED C[C@H]1CC(=NNc2ncnc3ccsc23)C[C@H](C)C1 747762267 AKBSXQBENBOYKZ-NXEZZACHSA-N 274.393 3.915 30 20 CHED N#Cc1c(Cl)nsc1N[C@H]1C[C@H]1Cc1ccccc1 742411206 BGIQFLBXFKBPMF-PWSUYJOCSA-N 289.791 3.711 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 917310317 RIKVGGOZMUSERM-GFCCVEGCSA-N 282.767 3.873 30 20 CHED N#CCCCOc1cccc(CN2CC[C@H](C3CCC3)C2)c1 591267703 CBZNTDHTDLMFEC-SFHVURJKSA-N 298.430 3.991 30 20 CHED CCOc1cccc(C=NNc2ccc(F)cc2)c1 915935049 RGFKUJUPUXGLBF-UHFFFAOYSA-N 258.296 3.670 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@@H](C)c2ccco2)cc1 599948791 ULDJRZOODFIHTI-CJNGLKHVSA-N 296.370 3.717 30 20 CHED C[C@@H]1CCC[C@H](C(=O)OCc2cn3ccccc3c2C#N)C1 745160708 UPOZMNNFQPODOF-KGLIPLIRSA-N 296.370 3.680 30 20 CHED C[C@@H]1CCC[C@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 744102754 YHWVKYGLFXPWFS-IOASZLSFSA-N 271.360 3.989 30 20 CHED C=CCCOC(=O)c1ccccc1C(=O)c1ccc(C)cc1 740191574 ZLZNMFWZHVEMHI-UHFFFAOYSA-N 294.350 3.959 30 20 CHED C=CCSc1ccccc1C(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 681625642 YFMXZOYBZPXFRX-YXAMBPQSSA-N 299.439 3.739 30 20 CHED CCO[C@H]1CC(=NO[C@H]2CCCCO2)C1(CC)CC 755822138 GFJNUELDUUXSGB-KBPBESRZSA-N 269.385 3.501 30 20 CHED C=C(CN[C@H](C)c1ccc(F)cc1O)c1ccccc1 756484356 VCBZHCPTDRWJDU-CYBMUJFWSA-N 271.335 3.895 30 20 CHED CC[C@H](CON=C(C)Cn1nc(C)cc1C)CC(F)F 853656134 UWILLRAPMHEFFO-ZDUSSCGKSA-N 287.354 3.574 30 20 CHED Fc1cc(C=NNc2ccccc2)ccc1OC(F)F 754695333 SULRSJDJOBXBPI-UHFFFAOYSA-N 280.249 3.873 30 20 CHED C=C(C)[C@H](C)OC(=O)c1[nH]c2ccccc2c1Cl 756015585 XTQSKFOOEOPRKT-VIFPVBQESA-N 263.724 3.943 30 20 CHED CCOC1CCC(=NNCc2cccc3cccnc23)CC1 853290106 UAXUQUHMQHYVJG-UHFFFAOYSA-N 297.402 3.660 30 20 CHED C#CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 757601593 ZZULUHJJYSEPEM-LGHUBQEGSA-N 275.351 3.581 30 20 CHED CCCCCCCn1ccc(C(C)(C)C)nc1=O 853704903 AIUGRMNGMPTFDW-UHFFFAOYSA-N 250.386 3.511 30 20 CHED Cc1cc(C)c(CON=CC(=O)Nc2ccccc2)c(C)c1 920836255 AOIVNHPYXCVMJW-UHFFFAOYSA-N 296.370 3.753 30 20 CHED C#C[C@](C)(CC)NCc1ccc(OCc2ccncc2)cc1 852102697 NZGXOGZLWVNNAN-LJQANCHMSA-N 294.398 3.552 30 20 CHED CCCCCCCCNC(=O)NC[C@H]1CC1(Cl)Cl 754841342 GOKLQXBGQIFIDV-LLVKDONJSA-N 295.254 3.840 30 20 CHED CC(C)[C@H](N[C@H](C)CC(C)(C)C#N)c1nc(C2CC2)no1 925411003 LISFXWYQOFSBHG-YPMHNXCESA-N 290.411 3.562 30 20 CHED C#CCCCC(=O)O[C@H]1CCc2c(Cl)cccc21 759492693 VUPMUTNOPZWGFD-AWEZNQCLSA-N 262.736 3.674 30 20 CHED C=CCC1(NC(=O)[C@H](F)Cc2ccccc2)CCCC1 855927171 FFTIKDAXOWHKJC-OAHLLOKOSA-N 275.367 3.572 30 20 CHED C#CC[C@@H](CCOC)Nc1cc2ccccc2c(Cl)n1 858855449 MBSRDPYNHWJFOP-ZDUSSCGKSA-N 288.778 3.729 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(F)c2occc12 935699267 XTOJWVJNPRTVNM-NSHDSACASA-N 273.307 3.753 30 20 CHED CC(=NNC1CCOCC1)c1ccc(SC(C)C)cc1 757585545 MLJBYNGZYCDEGP-UHFFFAOYSA-N 292.448 3.680 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCC[C@@H]([S@](C)=O)C1 850501644 OGESCACRKBGPBO-MKSNKDDYSA-N 285.497 3.791 30 20 CHED CSC[C@H]1CCCN(CCCCC2(C#N)CCC2)C1 930558686 IHPXFTCWMLVMIV-HNNXBMFYSA-N 280.481 3.926 30 20 CHED COc1ccc(C=NO[C@@H]2CCCCO2)c2ccccc12 755824262 PHHXAQJPQUCFMV-QGZVFWFLSA-N 285.343 3.726 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(SC(F)(F)F)c1 863616546 JYTLJINZRNTGLO-UHFFFAOYSA-N 288.294 3.787 30 20 CHED CCOc1ccccc1C=NOCc1ccnc(Cl)c1 760418804 BOCXUMIRNBWXMQ-UHFFFAOYSA-N 290.750 3.684 30 20 CHED CC1(C)C(=NNc2ncc(F)cn2)C[C@@H]1c1ccccc1 760246520 CFPNWLSDMWUHOP-CYBMUJFWSA-N 284.338 3.597 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cccc(C)c1Cl 860713698 LMONPYXJWYLFCJ-UHFFFAOYSA-N 265.740 3.884 30 20 CHED CCON=Cc1ccc(OCc2ccccc2F)cc1 767462892 BRCBDGAXPUCRMV-UHFFFAOYSA-N 273.307 3.775 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C)CCSCC)cc1 766344361 SNICZAIBNFVXOF-CABCVRRESA-N 291.460 3.881 30 20 CHED CC[C@@H]1CCCC(=NNCCc2ccccc2F)C1 764723624 QYPJVPUYPSMAJH-CYBMUJFWSA-N 262.372 3.914 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC[C@H](C)[C@H](C)C2)o1 767380017 OWCQPTHBHGONHE-WDEREUQCSA-N 274.368 3.894 30 20 CHED CC(C)O[C@H]1CC(=NNc2ccc3[nH]ncc3c2)C1(C)C 764907994 ROIIUVZQSZRLAT-HNNXBMFYSA-N 286.379 3.554 30 20 CHED C#CCCc1noc(CCc2ccc(Cl)c(Cl)c2)n1 762009285 NBAKBLRKKKNUSB-UHFFFAOYSA-N 295.169 3.727 30 20 CHED CCCCCCCNC(=O)CCc1nc2ccccc2o1 862359494 MPWQIBPJKBBXAR-UHFFFAOYSA-N 288.391 3.847 30 20 CHED C/C=C/COC(=O)c1cn(CCCC#N)c2ccccc12 769543321 JKYNHPVOKNARAV-NSCUHMNNSA-N 282.343 3.678 30 20 CHED COc1ccc(Cl)cc1/C=C\C(=O)c1cncc(C)c1 767368085 YMWMBRFZBNVOCE-HYXAFXHYSA-N 287.746 3.948 30 20 CHED CCON=C1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 762448226 VHGCNDSFWGAFJB-OCCSQVGLSA-N 296.411 3.579 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CC(C2CC2)C2CC2)cc1 1117537115 MBRKWRHHVJEHMA-GOSISDBHSA-N 296.414 3.756 30 20 CHED C#CC[C@H](NC(=O)N[C@H]1CCC(C)(C)C1)c1ccccc1 768741666 PYQMLCNOQIZIAP-HOTGVXAUSA-N 284.403 3.629 30 20 CHED C[C@H](OC(=O)CC#Cc1ccccc1)c1cccc(F)c1 1116274588 LAQMHOONJOGCHY-AWEZNQCLSA-N 282.314 3.872 30 20 CHED C#CCCOc1ccc(CN2CC[C@H](c3ccco3)C2)cc1 769388173 CYNSXNCGEBGWID-KRWDZBQOSA-N 295.382 3.671 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1cccc(F)n1 1117103272 WPQODAPNSHPPIB-JTQLQIEISA-N 285.322 3.558 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc(C#N)s1 762447726 SDZXLYXEMIXVOF-XQRVVYSFSA-N 283.352 3.833 30 20 CHED C=CCCCC(=O)Nc1ncc(Cl)cc1Cl 875085965 LCTNPALCIWJERF-UHFFFAOYSA-N 259.136 3.683 30 20 CHED C=CCN(C(=S)Nc1cccc(C)c1C)C1CC1 771543889 OXEGDLCBWNXLOL-UHFFFAOYSA-N 260.406 3.651 30 20 CHED C#CCN(C(=O)N[C@H](C)CCCC=C)C1CCCCC1 776084450 OTZVSGGZVYMRGN-OAHLLOKOSA-N 276.424 3.709 30 20 CHED C[C@@H]1CC/C(=C\C(=O)OCc2ccc(CC#N)cc2)C1 776113737 SGIXONIDONFXHJ-KWWJGWKXSA-N 269.344 3.542 30 20 CHED N#CCOC(=O)[C@H](Sc1ccccc1)c1ccccc1 775199223 AMBHUYLCGWNCRM-OAHLLOKOSA-N 283.352 3.587 30 20 CHED Cc1nc(CN[C@@H](CCC#N)c2ccccc2)sc1C 775554649 YNWNGBLLGGQFSR-HNNXBMFYSA-N 285.416 3.895 30 20 CHED COCc1ccc(C=NN[C@H]2CCCCC2(C)C)cc1 773125022 LXLXEDJYGJXOOD-INIZCTEOSA-N 274.408 3.725 30 20 CHED C#CCCOc1ccc(CNCCc2sccc2C)cc1 773408413 GQPHMDGATSUPSU-UHFFFAOYSA-N 299.439 3.791 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)o1 777920637 YYLMQGOXYMHQQP-QPJJXVBHSA-N 289.262 3.785 30 20 CHED COc1cc(/C=C2\Oc3ccccc3C2=O)ccc1C 773141242 WKURYEXHFOUFDA-YBEGLDIGSA-N 266.296 3.620 30 20 CHED C[C@H]1CC(=NOC2CCOCC2)c2ccsc2S1 774438506 RWWSDKSHEIFTSF-VIFPVBQESA-N 283.418 3.532 30 20 CHED C#CCCCCN[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 877087756 RFRINTZBSKYJLG-UYAOXDASSA-N 296.458 3.748 30 20 CHED C=C(CC)COC(=O)[C@H](C)CC(=O)c1ccccc1F 773522872 MOCNHOFFVVERFJ-GFCCVEGCSA-N 278.323 3.544 30 20 CHED FC(F)Oc1ccc(C=NOC2CCCC2)cc1 774597921 YIBLKYAAFHPODS-UHFFFAOYSA-N 255.264 3.581 30 20 CHED C=CCOC(=O)c1cccn1[C@H](C)Cc1ccccc1 773709935 GRVIDQSNUYCEAW-CQSZACIVSA-N 269.344 3.635 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)cc1OC)OCC 772897004 JFGXNNMPOVTSTE-CYBMUJFWSA-N 297.782 3.658 30 20 CHED N#CCOc1cc(F)ccc1NC[C@H]1C[C@@H]1c1ccccc1 779608580 GBBZLVNWLZDZDO-GDBMZVCRSA-N 296.345 3.944 30 20 CHED C/C(=C/C(=O)OCC1(C#N)CC1)c1cccc(Cl)c1 775865829 XWEGYISMIUNJGJ-XFFZJAGNSA-N 275.735 3.590 30 20 CHED C=CCN(C)C(=S)Nc1cccc(C(F)(F)F)c1 777470374 AZGKFIMYWDCCEB-UHFFFAOYSA-N 274.311 3.520 30 20 CHED Cc1cccc2cc(C(=O)OCCC(C)(C)C#N)oc12 776383140 LXRFJEDVRGDIHS-UHFFFAOYSA-N 271.316 3.838 30 20 CHED C#CC[C@@H](NCCOc1cccc(F)c1)c1ccccc1 775401259 XWOHMQUQYZPECA-GOSISDBHSA-N 283.346 3.559 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)c1cc(C)ccc1C 1125283572 JTVHDFWPWBUWJQ-UHFFFAOYSA-N 296.345 3.981 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1F 776726550 KQHDDYJOFPROTC-BAQGIRSFSA-N 269.250 3.733 30 20 CHED C#CCCCCCC(=O)NCc1cccc(C(F)(F)F)c1 779729639 GYFIPUUBSOQBOG-UHFFFAOYSA-N 297.320 3.905 30 20 CHED N#Cc1ccccc1N(C(=O)CCc1ccco1)C1CCC1 953069839 XTEDQLXNXWJYCW-UHFFFAOYSA-N 294.354 3.670 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1ccc(CC#N)cc1 58242960 XCGXVMOTQTTYSX-UHFFFAOYSA-N 284.746 3.967 30 20 CHED Cc1cc(C)c(/C=C\C(=O)OCC(C)(C)C#N)cc1C 781477282 KICRQDTWATXCKA-SREVYHEPSA-N 271.360 3.718 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OC1(c2ccccc2)CC1 781750542 LQGHWVSMOFHYQY-KHPPLWFESA-N 289.334 3.804 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)CCC(C)(F)F 783872332 DVTGHPMYFZEZNL-UHFFFAOYSA-N 297.345 3.958 30 20 CHED C[C@H]1CC(C)(C)CCC1=NN[C@@H](CO)c1ccccc1 788456947 GCUMTQOPHSBWRE-BBRMVZONSA-N 274.408 3.512 30 20 CHED C(=NOC[C@@H]1CCOC1)c1cc(-c2ccccc2)cs1 788033508 IRHBCGMHZIYZRN-CYBMUJFWSA-N 287.384 3.802 30 20 CHED C=C1CC(c2noc(-c3sc(CCC)nc3C)n2)C1 896885390 XJNWQJFCWVJFLQ-UHFFFAOYSA-N 275.377 3.888 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C(\C)c1ccccc1 785852048 FBWUAJMJVIZJHP-VUSFMPOISA-N 255.361 3.657 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)C1CCC(F)(F)CC1 788717868 GLRBUKGRSDYGFX-UHFFFAOYSA-N 287.741 3.770 30 20 CHED C=C1CCC(C(=O)N2CCC[C@@H](c3ccncc3)C2)CC1 897756418 MBXVFNCYROICHD-QGZVFWFLSA-N 284.403 3.534 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)[C@]1(C#N)CC12CCCC2 890612840 CAZTWQYJOKTWDD-QFBILLFUSA-N 294.398 3.954 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2cc(Cl)cs2)o1 782215810 UWAISOCOWYCGQM-UHFFFAOYSA-N 294.767 3.831 30 20 CHED C#CCC1(c2nc(COc3ccccc3)no2)CCCCC1 788094838 VGSGFFADPOJEEM-UHFFFAOYSA-N 296.370 3.874 30 20 CHED C(=NNCCCc1ccccc1)c1scnc1C1CC1 782230585 MPRIQNHFZWDTNE-UHFFFAOYSA-N 285.416 3.577 30 20 CHED CCc1ccccc1COc1cccc(F)c1C#N 1559388829 AYWKOLBHFIQVBO-UHFFFAOYSA-N 255.292 3.839 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccc(C#N)cn1 783295129 ZZJORKDMEXQGDB-GUYCJALGSA-N 277.371 3.600 30 20 CHED CC1(C)C(=NOCC(F)(F)F)C[C@H]1Oc1ccccc1 789038899 VKZFDEJSXMHLTM-GFCCVEGCSA-N 287.281 3.799 30 20 CHED Cc1ccc(F)cc1CNc1ccc(F)c(C#N)c1 83429815 AOFFOSXVSUVPSS-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCCc1nc(C(=O)OCCCCC(C)(C)C#N)co1 786514091 UHOLIRRTMODORQ-UHFFFAOYSA-N 278.352 3.504 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](OCC)C1 1205347374 NCNHHFIPMRPTDR-HUUCEWRRSA-N 288.391 3.717 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1ccccc1SC 799384657 HULMNGIDNSKQBI-STQMWFEESA-N 290.432 3.571 30 20 CHED CC(=NNc1cnnc2ccccc12)c1cc(C)c(C)o1 799880248 IVQZKFWIOLNPTJ-UHFFFAOYSA-N 280.331 3.676 30 20 CHED CC(C)(C#N)CC(=O)OCc1cccc(C(F)F)c1 791754363 CORALYMUMGGCNJ-UHFFFAOYSA-N 267.275 3.607 30 20 CHED C#CCNC(=O)N(CC(C)C)[C@@H](C)c1ccccc1Cl 790618524 ISSZKFISTKDPII-ZDUSSCGKSA-N 292.810 3.702 30 20 CHED CC(C)(C#N)c1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc1 796829622 LGCGXRAAVJADEL-CQSZACIVSA-N 284.359 3.583 30 20 CHED C#C[C@@H](CCC)NC(=O)C1CCC(c2ccccc2)CC1 791201993 UZRCPKKWDVGQME-ABHNRTSZSA-N 283.415 3.879 30 20 CHED CCCc1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1 271682467 PTEFBQVYQGBHJP-LBPRGKRZSA-N 285.416 3.818 30 20 CHED Cc1cccnc1NN=C1CCCCc2cc(C#N)ccc21 794859273 OYUDUBYJFBBYEI-UHFFFAOYSA-N 290.370 3.804 30 20 CHED C[C@@H]1C[C@@H]1C=NNCc1c(Cl)cccc1Cl 793116963 HEFQTGZVTDIQBD-RKDXNWHRSA-N 257.164 3.725 30 20 CHED CC[C@H]1CCC[C@H](NCc2ccc(OCC#N)cc2)C1 68592124 LNBGZJWWJYEBDP-HOCLYGCPSA-N 272.392 3.647 30 20 CHED CSc1ccccc1C(=O)N1CCCC(C)(C)[C@H]1C#N 277870013 KIPFIAOLUGHURH-CQSZACIVSA-N 288.416 3.563 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCSC1 791062423 QBPCQJOILLVOQG-CYBMUJFWSA-N 257.443 3.606 30 20 CHED C=CC[C@H](OC(=O)COC)c1ccc(Cl)c(Cl)c1 797552765 JVJLNTNGCXHZSK-LBPRGKRZSA-N 289.158 3.800 30 20 CHED CCOc1ccc(C(C)=NNc2cccc(Cl)n2)cc1 793175368 STMXJJKRDREPPG-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1ncc[nH]1 790157832 QPPHQQAQCSBVGC-GFCCVEGCSA-N 270.380 3.608 30 20 CHED C=CCC[C@H](C)N[C@H](CCC)[C@H](O)c1ccccc1 793239047 QJIKOOVSAMVUNA-USXIJHARSA-N 261.409 3.833 30 20 CHED CC[C@H](C)n1nc(NC(=O)c2ccc(C)c(C#N)c2)cc1C 799363163 UTYQXBXYBLKEFU-LBPRGKRZSA-N 296.374 3.595 30 20 CHED Cn1cc(C=NNCC2(C)CCCC2)c(-c2ccccc2)n1 793091004 YVJJSZOCJUFVQZ-UHFFFAOYSA-N 296.418 3.591 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc(Cl)ccc2F)c1 720228039 ASBWUQOQVJARAR-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CN(Cc1cc2ccccc2s1)CC(C)(C)C#N 576333548 LVLDSZRRDWQNRR-UHFFFAOYSA-N 258.390 3.883 30 20 CHED CC1CC(C#N)(C(=O)NCc2cc(Cl)cc(Cl)c2)C1 597853936 DZKNAHKVOSDJFM-UHFFFAOYSA-N 297.185 3.549 30 20 CHED C#CCOc1cccc(NC(=O)C2(C)CCCCC2)c1 780631293 PULDRCXCUUUHDQ-UHFFFAOYSA-N 271.360 3.608 30 20 CHED Cc1ccccc1C[C@H](C)NCc1cc(C#N)cs1 93492409 ONNITJZKPUEVJS-ZDUSSCGKSA-N 270.401 3.649 30 20 CHED CCC(=NNCc1ccc(F)cc1)c1cccs1 1319751448 MVOBFTVZEIBQDO-UHFFFAOYSA-N 262.353 3.791 30 20 CHED CS[C@@H]1CC[C@@H](N(C)Cc2cn3ccccc3c2C#N)C1 1318793476 WBCYVDXKWGFPBY-HUUCEWRRSA-N 299.443 3.527 30 20 CHED C=CCCCOC(=O)[C@H](C)c1ccc(F)c(F)c1 1318823343 XMCDVFCGJDVMKX-SNVBAGLBSA-N 254.276 3.578 30 20 CHED C=CC[C@@H](NC(=O)c1cc(CC(C)C)c[nH]1)c1ccncc1 1325524494 BGDAQGKYBFZGPW-MRXNPFEDSA-N 297.402 3.655 30 20 CHED Cc1ccc(N[C@@H]2CCc3ccc(C#N)cc32)c(C)n1 1327532910 MSNNXVNAEUNSEW-QGZVFWFLSA-N 263.344 3.670 30 20 CHED Cc1cc([C@@H](C)NC(=O)CCCCCC#N)c(C)o1 1259086370 CACOVFRFHVLSOY-GFCCVEGCSA-N 262.353 3.548 30 20 CHED C[C@H](C(=O)N(c1ccccc1C#N)C1CCC1)C(C)(F)F 1338042375 LGRGRKZLBNAXSW-LLVKDONJSA-N 292.329 3.735 30 20 CHED CC(C)(C)[C@H](NCc1cccc(C#N)n1)c1cccc(F)c1 1331053533 PLPRKODODFNDAP-QGZVFWFLSA-N 297.377 3.969 30 20 CHED C=C(C)CN(CC)Cc1cc([N+](=O)[O-])ccc1Cl 215782 GUDUUHFGWLLRNO-UHFFFAOYSA-N 268.744 3.646 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(OC)c2)C1 1261665398 KIOINJXTRYAGBW-GFCCVEGCSA-N 292.354 3.654 30 20 CHED COc1cccc2cc(CNc3snc(C)c3C#N)oc12 1346044472 LSHHWKKPMAIVIX-UHFFFAOYSA-N 299.355 3.690 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 1264923713 OZZNSDUZXYHFPC-BXUZGUMPSA-N 274.339 3.852 30 20 CHED C[C@@H](CC(=O)[C@H](C#N)c1cccc(F)n1)CC(C)(C)C 1344593764 BQUOMHTXGURASI-NWDGAFQWSA-N 276.355 3.859 30 20 CHED Cc1cccc(Cl)c1C(=O)Nc1cccc(C#N)c1 1350647648 JWGFEXYDJNURJL-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cccc2cnccc12 1352394944 SEAKHVJAJYVJJU-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)CC1 1350138152 JNPOGSAABBRLMT-WCQYABFASA-N 289.341 3.922 30 20 CHED CC[C@@H](F)C(=O)Nc1sc2c(c1C#N)CCCCC2 1354316531 STKDCAMCKSDXCF-LLVKDONJSA-N 280.368 3.575 30 20 CHED C=C(C)CCC(=O)Nc1sc(CCC)nc1C 1517975375 NINNACWUKOFXBF-UHFFFAOYSA-N 252.383 3.699 30 20 CHED Cc1cc(C)cc(CCNc2cccc(F)c2C#N)c1 1458194135 LAEWWQGFLVMHRR-UHFFFAOYSA-N 268.335 3.969 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 1459267200 IZTWBSJQBVJMIO-RBSFLKMASA-N 278.440 3.990 30 20 CHED Cc1cccc(NC(=O)c2cc(C#N)ccc2F)c1Cl 1456928015 KQGICOCZHBAYRQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cccc2ccn(C)c12 1529091976 PIAOQMNOXWMYBO-UHFFFAOYSA-N 289.338 3.611 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1sccc1C#N 1527149503 NABMBLXCDPSZKP-ZDUSSCGKSA-N 276.405 3.661 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1cc(C#N)ccc1F 1524125047 LVZDYGOIPHIVPT-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 1526250427 XXKAIHOUIVLERS-UHFFFAOYSA-N 295.729 3.530 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCCc1cccc(O)c1 1521525109 MVGYYMOQTINSDA-INIZCTEOSA-N 287.403 3.672 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1nc(C(C)C)c(C(=O)O)s1 1609226312 MJMSJBWBMGNONE-SECBINFHSA-N 296.392 3.506 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CCc2ccc(F)cc21 1539799707 OWAPMRLKXMDZQP-QGZVFWFLSA-N 295.313 3.850 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 20095405 FUNPQIYVJVBSKB-LBPRGKRZSA-N 254.308 3.548 30 20 CHED O=Cc1ccccc1C#Cc1ccc(C(F)(F)F)cc1 21988428 GPRDKCXNKMUPEY-UHFFFAOYSA-N 274.241 3.918 30 20 CHED C=C(CNC(=O)N1CCCC(C)(C)CC1)c1ccccc1 1478771319 KBBQUPJSJPWIGR-UHFFFAOYSA-N 286.419 3.922 30 20 CHED CC[C@@H](Nc1ccc(C#N)c(C)n1)c1ccc(F)cc1 1472739999 TUAVRNHXYHBXGU-OAHLLOKOSA-N 269.323 3.964 30 20 CHED Cc1ccc(C[C@@H](Sc2ccc(C#N)cc2)C(=O)O)cc1 1610500233 ZNSVXKVKWHMGTB-MRXNPFEDSA-N 297.379 3.655 30 20 CHED N#Cc1ccnc(CSc2nc3ccc(F)cc3o2)c1 1559469255 ZPATUCJGSRRHQK-UHFFFAOYSA-N 285.303 3.526 30 20 CHED CN(Cc1ccc(F)cc1C#N)c1cccc2cccnc12 1645460368 PAVYEGPDRYZLBZ-UHFFFAOYSA-N 291.329 3.882 30 20 CHED CC(C)[C@H](Cc1ccccc1)NCCc1ccc(C#N)cc1 1654784502 BQSIGJBVMQTROY-FQEVSTJZSA-N 292.426 3.958 30 20 CHED CC(C)CC[C@H]1CCCCN1Cc1cccc(C#N)n1 1651883175 OFDAAQAKVMHCBD-QGZVFWFLSA-N 271.408 3.744 30 20 CHED Cc1ccccc1N(C)CCc1ccc(C#N)cc1 1654318867 JITANSBPINZLQJ-UHFFFAOYSA-N 250.345 3.546 30 20 CHED N#Cc1ccc(CSc2ccc3[nH]ncc3c2)s1 1652041346 LKNSJIYDSKCRPM-UHFFFAOYSA-N 271.370 3.788 30 20 CHED C#CCCCCN[C@@H](c1ccccc1)C(F)(F)F 229677807 LTVNNVAPOQKWLO-ZDUSSCGKSA-N 255.283 3.683 30 20 CHED C=CCC1(c2nc(-c3cccc(C(=O)O)c3)no2)CCCC1 1588771673 XLSZVKLKSDHAPE-UHFFFAOYSA-N 298.342 3.823 30 20 CHED C=CCC[C@@H](NCc1ccccc1CC(=O)O)c1ccco1 1588778806 MOICBOMJWDKQHB-MRXNPFEDSA-N 299.370 3.704 30 20 CHED CC(C)c1ccc(C(=O)/C=C\c2cc(C(=O)O)n(C)c2)cc1 1591943381 IBYJLOWBMPUKEQ-WTKPLQERSA-N 297.354 3.743 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(/C=C\C(=O)O)o1 1777465358 XNXAOIYQCOXKNP-WGEIWTTOSA-N 282.295 3.582 30 20 CHED CCC(=NOC1CCCCC1)c1cc(C(=O)O)ccc1F 1776056367 FRWCMVRSEVYOQM-UHFFFAOYSA-N 293.338 3.987 30 20 CHED C=CC(C)(C)CCCNc1c(C(=O)O)nnc2ccccc12 1776147411 OJKJMGUYHYVYPF-UHFFFAOYSA-N 299.374 3.732 30 20 CHED C=C(CNC(=O)N[C@@]1(C)CCCC[C@@H]1C)c1ccccc1 1686696621 KQWIREYPGSTTFM-YJBOKZPZSA-N 286.419 3.968 30 20 CHED O=C(O)c1cc(NN=C2C[C@H]3CC=CC[C@@H]3C2)ccc1F 1776064945 NOSQORHFFSWPFZ-GHMZBOCLSA-N 288.322 3.668 30 20 CHED C=CCN(CCC(C)(C)CC(=O)O)Cc1ccc(F)cc1 1776178857 YFAWCANBKMMJMV-UHFFFAOYSA-N 293.382 3.705 30 20 CHED Cc1ccc(NN=Cc2ccc3oc(C(=O)O)cc3c2)cc1 1776032719 MWAZXKDJLNZHNQ-UHFFFAOYSA-N 294.310 3.885 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC)c1ccc(Cl)cc1 161436796 LZRVAFRQTOHETR-ZDUSSCGKSA-N 266.772 3.619 30 20 CHED C[C@@H](CC#N)N(C)CCOc1cc(Cl)ccc1Cl 161926097 CIBIDSHCXOXHTH-JTQLQIEISA-N 287.190 3.606 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1C 206946756 JGANUBVAXSOLME-ALCCZGGFSA-N 280.323 3.928 30 20 CHED Cc1nc2ccc(NCc3ccc(C#N)cc3)cc2o1 158997370 KUTFTDMWHJRUCC-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=CCOc1cccc(NC(=O)C[C@@H](C)c2ccncc2)c1 160220277 KVQFCCAFBFUZPL-CQSZACIVSA-N 296.370 3.779 30 20 CHED CCN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 153779417 UVNPPXIGBWQKBL-UHFFFAOYSA-N 284.746 3.878 30 20 CHED CC(C)(C#N)CCN1CCCN(CC2CCCCC2)CC1 157749959 ZYHGPAQUIZHPOJ-UHFFFAOYSA-N 291.483 3.514 30 20 CHED CCc1sc(C(=O)Nc2ccc(CC#N)cc2)cc1C 8126457 RRMCDOHSVQIZHN-UHFFFAOYSA-N 284.384 3.937 30 20 CHED Cc1cccc(CN(C)c2nccc(C#N)c2Cl)c1 234319585 NTFIHIHJYDVUHZ-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C[C@H]1CC[C@H](CNc2ccc(C#N)c(C(F)(F)F)c2)O1 128511953 OPVWLGIQENUUQJ-JOYOIKCWSA-N 284.281 3.556 30 20 CHED C#Cc1cccc(NC(=O)CSCc2cccs2)c1 29474789 MXVWQHDUTUJMOJ-UHFFFAOYSA-N 287.409 3.601 30 20 CHED CN(Cc1cccc(F)c1)c1ccc(Cl)cc1C#N 52859557 BDQYJJBYRCSZQJ-UHFFFAOYSA-N 274.726 3.987 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccc(Cl)cc1C#N 61941982 UHGNEKIMBZJRKK-UHFFFAOYSA-N 281.746 3.720 30 20 CHED N#Cc1cccc(COc2cc([N+](=O)[O-])ccc2Cl)c1 70089127 LNCYPYDMGGOZFD-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C=CCC(C)(C)CNC1CC(C#N)(c2ccccc2)C1 312317617 CEEWWGLSRDODLR-UHFFFAOYSA-N 268.404 3.802 30 20 CHED Cc1cc(CNCC2(C(F)(F)F)CCC2)ccc1C#N 353095514 XOIGRUVLMYZVEU-UHFFFAOYSA-N 282.309 3.689 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc2c(s1)CC[C@@H](C)C2 522237157 PKFYJPRRBFLVJB-GFCCVEGCSA-N 290.432 3.637 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H]1CCC(C)(C)C1 619515312 SJBOPCXMZMCFRW-MRXNPFEDSA-N 256.393 3.877 30 20 CHED N#Cc1ccc(C[S@@](=O)c2ccc(F)c(Cl)c2)cc1 83078418 MMVQBHHOKSAUIG-IBGZPJMESA-N 293.750 3.659 30 20 CHED CCC(CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 468842059 DZGRMIJOCOGBSN-UHFFFAOYSA-N 264.756 3.976 30 20 CHED CC1(C)CCCCN(Cc2cc(F)ccc2C#N)C1 446073034 NZGCXTFQMLAZCP-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(Cl)cc1Cl 447325616 OOBNOXMMUZLEDH-SECBINFHSA-N 269.175 3.948 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)O)c(Cl)c1 393751083 VSDBXXCVWICZLZ-VIFPVBQESA-N 296.754 3.514 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H]2CCCC[C@H]2C1 1322450280 VEEJDNHTDBOFHP-KBPBESRZSA-N 272.367 3.709 30 20 CHED Cc1ccsc1C(=O)Nc1sc2c(c1C#N)CCC2 3286452 QTSZUVFWAANFQW-UHFFFAOYSA-N 288.397 3.731 30 20 CHED N#CCCCOC(=O)CCCc1ncc(-c2ccccc2)o1 58822148 RXNFOPFXJZNSOC-UHFFFAOYSA-N 298.342 3.511 30 20 CHED N#Cc1ccccc1NC(=O)c1ccccc1OCC1CC1 102831102 ZNTARLZFGOZYSM-UHFFFAOYSA-N 292.338 3.599 30 20 CHED C=CCCCOC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 117994501 WBXAHMWUEJHWNB-MNOVXSKESA-N 264.287 3.865 30 20 CHED C/C(=C\C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1Cl 170759825 BJHUVPCBJIKDMW-YHVDPYDOSA-N 290.794 3.798 30 20 CHED Cc1ccc(CCC(=O)Nc2sccc2C#N)c(C)c1 25801595 MLLFEXRVTMQHGC-UHFFFAOYSA-N 284.384 3.808 30 20 CHED CCCC[C@H](CC)CC(=O)N(CC)C[C@H](C)C#N 117239289 JNHRBMRYBGRJHT-KGLIPLIRSA-N 252.402 3.601 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 175223595 IHPCMRYFVFWGMU-NSHDSACASA-N 283.318 3.822 30 20 CHED C=C(Br)CNC(=O)[C@H](C)CC1CCCCC1 114320627 FXEBCWLNYZZXTP-SNVBAGLBSA-N 288.229 3.618 30 20 CHED COc1ccc(OC)c(C(=O)/C=C/c2ccc(C#N)s2)c1 176400512 BAOIGJVMTCYGKX-VOTSOKGWSA-N 299.351 3.533 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(OC)ccc1O 179737159 QPXNZLKITUHTLR-UHFFFAOYSA-N 283.371 3.589 30 20 CHED COc1ccc(CCCN[C@@H](C)c2ccc(C#N)cc2)cc1 173984222 HGHPILXGMJJQKO-HNNXBMFYSA-N 294.398 3.850 30 20 CHED CCCCC[C@H](C)NC(=O)CCc1ccc(C#N)cc1 53676530 IFORWYDKHWIZJI-AWEZNQCLSA-N 272.392 3.576 30 20 CHED N#CCCCCNC(=O)N[C@H](c1ccccc1)C1CCCC1 170885554 NVXZEMBVTOUREE-QGZVFWFLSA-N 299.418 3.911 30 20 CHED N#Cc1cccc(C#N)c1NCc1ccccc1OC(F)F 302475146 UZTRJFKWZOIFOJ-UHFFFAOYSA-N 299.280 3.643 30 20 CHED N#Cc1c(NC(=O)C2=CCCC2)sc2c1CCCC2 177690367 ZWKNBWBQHYWSEW-UHFFFAOYSA-N 272.373 3.547 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1ccc(O)cc1)c1ccccc1 179079545 HROLZUAYEVZUCX-INIZCTEOSA-N 295.382 3.711 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@@H](C)C1 172801542 SRAZBKVJNCHHFF-OCCSQVGLSA-N 286.375 3.722 30 20 CHED Cc1ccc(OCC(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 175796977 YNWWGTYOFWYLBY-AWEZNQCLSA-N 295.338 3.550 30 20 CHED Cc1ccc(C)c(OCCCCC(=O)OCCCC#N)c1 64222078 ITKUTMZLBSYLED-UHFFFAOYSA-N 289.375 3.700 30 20 CHED CC(C)SCCOc1cc(Cl)ccc1C#N 304296217 OJBTVNSTMYHLPJ-UHFFFAOYSA-N 255.770 3.732 30 20 CHED C=C(CC)C(=O)N(CC)Cc1ccc(Cl)cc1 1348495079 IDZDRDFDXCRVHB-UHFFFAOYSA-N 251.757 3.655 30 20 CHED CSCc1nnc(S[C@@H](C)c2ccc(C#N)cc2)o1 118174581 NLBGKBPPMQZMNA-VIFPVBQESA-N 291.401 3.658 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCC[C@H](C)C1 178375943 JLKJIATVBUACMF-WCQYABFASA-N 256.349 3.632 30 20 CHED N#CCCCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 171523860 XTLSICXVJOKPRZ-NEPJUHHUSA-N 298.169 3.944 30 20 CHED Cc1[nH]c2c(C(=O)O[C@@H]3CC[C@@H](C#N)C3)cccc2c1C 179877165 RZIRSAAZVKXYAU-CHWSQXEVSA-N 282.343 3.634 30 20 CHED C[C@@H](O)[C@@](C)(CNc1ccc(C#N)cc1)Cc1ccccc1 302732947 UWSCVPWBQUYQNM-DNVCBOLYSA-N 294.398 3.600 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccc(C(F)(F)F)cc1 125356330 ZVBKWGGGZYRCTN-KRWDZBQOSA-N 282.714 3.707 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@H]1CC[C@@H](C)C1 178378955 NSBHGAJBFZWDQZ-YPMHNXCESA-N 256.349 3.632 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1ccc(C#N)cc1 172990190 ZHQRXEFUKWYZRQ-RHSMWYFYSA-N 284.403 3.528 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)Cc2cccc(F)c2)c1 302006572 AGZPIIQTPWKGKQ-UHFFFAOYSA-N 282.318 3.536 30 20 CHED C[C@@H](NCc1ccc(Cl)o1)c1ccc(C#N)cc1 37502479 DDLOZECNARNDQQ-SNVBAGLBSA-N 260.724 3.655 30 20 CHED C=CCCCCCN(C)C(=O)Nc1nc(C)ccc1OC 128186656 RTPBXAQLHCLNDW-UHFFFAOYSA-N 291.395 3.609 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 77687506 PVOOJFSSVXXJGG-GWCFXTLKSA-N 282.368 3.881 30 20 CHED C=CCN(C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 121267798 OGCQPYIBWMOFAS-UHFFFAOYSA-N 298.173 3.661 30 20 CHED CCCOc1cccc(C(=O)Nc2cccc(CC#N)c2)c1 313464777 QLVOAALMQMFOCK-UHFFFAOYSA-N 294.354 3.794 30 20 CHED N#Cc1ccsc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 124605655 WXZWSRYWLGMNHF-STQMWFEESA-N 286.331 3.501 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCc1ccsc1 187516261 XZFUKEFOPBTKPO-UHFFFAOYSA-N 278.421 3.612 30 20 CHED C[C@@H](CCC#N)Sc1nnc(Cc2cccc(F)c2)o1 188310211 CRJKGCGSHRYADA-JTQLQIEISA-N 291.351 3.584 30 20 CHED C=CC[C@@H](C(=O)Nc1cnn(CC2CC2)c1)c1ccccc1 189983612 FNRXDIXAGDWNEX-QGZVFWFLSA-N 295.386 3.592 30 20 CHED C=CCCN[C@H](C)c1oc2ccc(OC)cc2c1C 184333741 ZQWABZKLTKQMOI-GFCCVEGCSA-N 259.349 3.977 30 20 CHED C=CCN[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 180691717 YBDYVDXGKXQZMQ-IBGZPJMESA-N 297.398 3.763 30 20 CHED C=CCCCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1Cl 76487017 REUCEFIFBPTXNM-KBPBESRZSA-N 277.795 3.868 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)C(C)(C)CC 410724360 KMTHPVIKJZUSBP-KGLIPLIRSA-N 264.413 3.744 30 20 CHED COCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(C)(C)C 509000642 UIRZHLDMGMNLCS-XJKSGUPXSA-N 274.408 3.660 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@@H](C)C1CCCCC1 410824239 CEZQDKUCLRBJRA-UKRRQHHQSA-N 264.413 3.744 30 20 CHED CC[C@H]1Cc2ccccc2CN1C(=O)c1cccc(C#N)c1 186357684 CRVLNHMFFHKOAQ-SFHVURJKSA-N 290.366 3.535 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)c2ccccc12 413585599 RROYIVTXLWITRZ-MRXNPFEDSA-N 280.371 3.816 30 20 CHED CC(C)(CC(=O)Nc1ccccc1C#N)c1ccccc1 36140102 BGDOSZYDTVSEEC-UHFFFAOYSA-N 278.355 3.865 30 20 CHED N#Cc1ccc(NC(=O)c2sccc2C2CC2)cc1 72590429 WEJNDQFLBHLVBY-UHFFFAOYSA-N 268.341 3.749 30 20 CHED Cc1coc(SCC#Cc2ccc(Cl)cc2)n1 188426333 UQUUAIRXYFNZKS-UHFFFAOYSA-N 263.749 3.780 30 20 CHED CCc1noc([C@H](C)O/N=C/c2ccc(C(C)C)cc2)n1 123262444 FFZYVRUPNSARAR-VAKHEIKFSA-N 287.363 3.867 30 20 CHED CC(C)N(Cc1cn2ccccc2c1C#N)C1CCC1 77358388 TYHDEBHAZWXUJL-UHFFFAOYSA-N 267.376 3.574 30 20 CHED C[C@H](NCC(C)(C)CC#N)[C@@H]1C[C@H]1c1cccs1 417379412 ULERFRYESZRNIX-RWMBFGLXSA-N 262.422 3.770 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1 181661289 HEJBPGUTCRHEKL-UHFFFAOYSA-N 286.379 3.657 30 20 CHED N#CCCCCN1CCc2c1cccc2C(F)(F)F 183834835 STZHWTIDRRCNAZ-UHFFFAOYSA-N 268.282 3.762 30 20 CHED C[C@H](CCC#N)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 411767704 OJJZRMIEEYXESX-ABAIWWIYSA-N 282.309 3.528 30 20 CHED COc1cc(C#N)ccc1CN(C)CCCc1ccccc1 501257356 PCGUNPZMIVLENT-UHFFFAOYSA-N 294.398 3.631 30 20 CHED C=CC[C@@H](C(=O)N1CCC(C)CC1)c1ccccc1 187342111 BGNULKKECPPLCW-MRXNPFEDSA-N 257.377 3.605 30 20 CHED N#Cc1c(F)cccc1Sc1nnc(C2CC2)s1 74778083 ZCQRCESBQZWFRB-UHFFFAOYSA-N 277.349 3.577 30 20 CHED C=C(CN[C@H](C)Cc1cccs1)c1ccccc1 211887436 VOBWIPFAGCOWMT-CQSZACIVSA-N 257.402 3.982 30 20 CHED C=CCSCCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 508884159 XWTTWIHBLANRQR-GOEBONIOSA-N 291.460 3.852 30 20 CHED C=C[C@H](CC(=O)Nc1cccc2[nH]cnc12)c1ccccc1 135186414 MXCQMUWOBCPVFH-CYBMUJFWSA-N 291.354 3.861 30 20 CHED Cc1c(C(=O)[C@H](C#N)c2ccccn2)oc2ccccc12 46439451 KLRJNTNRAHTMLX-CYBMUJFWSA-N 276.295 3.626 30 20 CHED Cc1nc(N2CC(c3ccccc3)C2)c(Cl)cc1C#N 601210074 KVPHOTXNAYEUBS-UHFFFAOYSA-N 283.762 3.519 30 20 CHED C=C(C)CCc1noc(/C=C/c2cccc(OC)c2)n1 508674568 ZQMBOTPMAGPCCO-CSKARUKUSA-N 270.332 3.757 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 412877127 PUYGTAQOPBZWJS-WMZOPIPTSA-N 299.414 3.683 30 20 CHED OC1=N[C@@H](/C(O)=N/C2(c3ccccc3)CCCC2)CCC1 328789836 LAUFSGYTVITHSC-CQSZACIVSA-N 286.375 3.921 30 20 CHED OC(CCC1CCOCC1)=Nc1cccc2ocnc12 328847355 APTVQVZUOVLXNV-UHFFFAOYSA-N 274.320 3.623 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2cccc(Cl)c2)cc1 220148815 DHCZKDCKDVHKPI-WTKPLQERSA-N 286.714 3.934 30 20 CHED C=CCC1(C(=O)Nc2nc3c(s2)CCCC3)CCC1 191332599 KFONJKAVWFVFJB-UHFFFAOYSA-N 276.405 3.707 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc(N3CCCCC3=O)c2)C1 193083626 SXCOXKVNTAZBQC-CABCVRRESA-N 297.402 3.698 30 20 CHED N#CCOc1cccc(NCc2cccc3cc[nH]c23)c1 227114083 FBQXJQDEGVASKS-UHFFFAOYSA-N 277.327 3.682 30 20 CHED COc1cccc2c1CC/C(=C\c1cccc(O)c1)C2=O 194593235 DHSHRHANFLNDNI-JLHYYAGUSA-N 280.323 3.613 30 20 CHED CCc1oc2ccccc2c1/C=C/C(=O)c1cn(C)nc1C 193585436 WDODUBIEIHJAFD-MDZDMXLPSA-N 294.354 3.933 30 20 CHED C[C@H](N[C@H](CCCN)c1ccccc1)c1cccc(C#N)c1 423499421 AWTPFUXXTIUFLF-HNAYVOBHSA-N 293.414 3.689 30 20 CHED N#Cc1ccc(CN(C#N)c2ccccc2Cl)c(F)c1 429793070 RSHYXVGEKIKYJG-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C=C(C)CN(CC)C(=O)CCOc1ccccc1Cl 46195429 FBUZFXADRSJOEA-UHFFFAOYSA-N 281.783 3.534 30 20 CHED CCSc1ccc([C@H](C)Nc2cncc(C#N)n2)cc1 420588714 SHSTVBHVBRCAPD-NSHDSACASA-N 284.388 3.633 30 20 CHED CCNc1ccc(Oc2ccccc2C#N)c(F)c1 133695095 SXNQHGPDOLPUON-UHFFFAOYSA-N 256.280 3.921 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 136163622 BNHIFJALJSGHFK-WVIZBIQASA-N 288.435 3.647 30 20 CHED CC(C)N(CCC#N)C(=O)c1cccc(Cl)c1Cl 42530347 OYKXBHJGUPCOOI-UHFFFAOYSA-N 285.174 3.758 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 424730929 FDSZBLXPCMSXBU-GFCCVEGCSA-N 291.366 3.506 30 20 CHED N#Cc1ccc(NCCCC2(O)CCC2)cc1C(F)(F)F 420636259 MRVGCKVKIDHYDK-UHFFFAOYSA-N 298.308 3.684 30 20 CHED N#Cc1ccc(CN[C@@H](CC(F)F)c2ccccc2)o1 421371508 KSEBEUBLXXCEAT-AWEZNQCLSA-N 276.286 3.637 30 20 CHED C[C@H]1CC(/N=C(/O)c2snnc2C2CC2)C[C@H](C)C1 329496604 GCKMTGMBBYMUQB-RKDXNWHRSA-N 279.409 3.545 30 20 CHED COc1cccc2c1CC/C(=C/c1cnn(C(C)C)c1)C2=O 194593599 XDJHYLFMCVWVES-ZROIWOOFSA-N 296.370 3.685 30 20 CHED C[C@@H](CN(C#N)c1ccc(F)c(C#N)c1)c1ccccc1 428320970 WYTRBFRVQMNWBY-ZDUSSCGKSA-N 279.318 3.789 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 425854268 XLECDDXEUWYOID-HYVNUMGLSA-N 299.418 3.689 30 20 CHED Cn1cc(CN(Cc2ccccc2)CC2CCC2)cc1C#N 191275268 NWBHZJUXSSMZNQ-UHFFFAOYSA-N 293.414 3.699 30 20 CHED Cc1nc2ccc(N=C(O)N3CC[C@@H]4CCC[C@H]43)cc2o1 330231702 FBTRJJLKDCFOIM-SMDDNHRTSA-N 285.347 3.556 30 20 CHED CCc1ccc(CNc2cc(F)cc(C#N)c2)s1 225330572 SMZBHLYSTOFGMB-UHFFFAOYSA-N 260.337 3.933 30 20 CHED CC(C)(C#N)CCCOc1ccc(C#N)cc1Cl 87598862 FPNAGYHUCIDZHE-UHFFFAOYSA-N 262.740 3.920 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(C)Cc1ccco1 338804116 ICCQLNREUVIWRR-CYBMUJFWSA-N 288.395 3.597 30 20 CHED CC(C)(C#N)CCCSCc1nc(C(F)F)no1 424154967 OYPRNHUJSVCEIO-UHFFFAOYSA-N 275.324 3.570 30 20 CHED CCCC(=C/C(O)=N/c1nc(C(F)(F)F)n[nH]1)CCC 92313836 TXOVULXEUMJDLZ-UHFFFAOYSA-N 290.289 3.938 30 20 CHED CC(C)c1ccoc1C(=O)Nc1ccc(F)cc1C#N 334353501 YHRZOWLBOQYMIS-UHFFFAOYSA-N 272.279 3.666 30 20 CHED CCc1nocc1CSc1ccc(C#N)c(C)c1 515312987 XBLINCYDCCRUNV-UHFFFAOYSA-N 258.346 3.709 30 20 CHED C[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)cc2Cl)C1 429627247 ZOFHHOQJTBBYDD-CMPLNLGQSA-N 291.782 3.864 30 20 CHED CN(Cc1ccc(Br)s1)[C@H]1CC[C@H](C#N)C1 335903359 MWGMZTSYPSRMDX-UWVGGRQHSA-N 299.237 3.635 30 20 CHED CC[C@@H]1CCCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C 334169729 AZXUDYDPNURQMB-CYBMUJFWSA-N 288.395 3.521 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1cc(F)c(F)cc1F 330484496 XWFKXQQWCXFSGN-AWEZNQCLSA-N 284.281 3.737 30 20 CHED CC1(C)CCC[C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C1 333761213 PFSZHKWNFXCPNT-KBXCAEBGSA-N 288.435 3.793 30 20 CHED CC(C)C[C@H](C)n1nccc1N/C(O)=N/C(C)(C)C 330866324 CJIMXZLITWOOQA-NSHDSACASA-N 266.389 3.615 30 20 CHED N#Cc1c(Cl)nsc1N1CCc2ccc(F)cc21 92627565 FLWXNARDFHXNES-UHFFFAOYSA-N 279.727 3.501 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@H]1c1ccccn1 530669245 ACPJQHXQDQKWBD-HNNXBMFYSA-N 283.762 3.948 30 20 CHED C[C@@H]1CCC[C@H](CC(O)=Nc2nc3cccnc3[nH]2)C1 330270169 SZAKSOSAPVYVLH-MNOVXSKESA-N 272.352 3.762 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)s1 93901834 ZPTBGDZIZHCJSS-BQYQJAHWSA-N 288.416 3.984 30 20 CHED N#Cc1ccc(NCc2cnc(-c3ccccc3)nc2)cc1 525876116 LEKHTRAXUKOCMP-UHFFFAOYSA-N 286.338 3.627 30 20 CHED C=CCOCCCN(C)[C@@H](C)c1nc2ccccc2s1 348053413 VFAPSPQAACMJCN-ZDUSSCGKSA-N 290.432 3.882 30 20 CHED C[C@H]1[C@H](C)CCN1Cc1cc(C#N)ccc1Br 249112766 VZMULUXKCVVWHE-MNOVXSKESA-N 293.208 3.551 30 20 CHED CCN(CCCOc1cccc(Cl)c1)C[C@@H](C)C#N 523692361 LBHHCFYSBCBYSU-ZDUSSCGKSA-N 280.799 3.590 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccc(Cl)cn2)cc1 345988066 HQDHMLZZTPUMSN-UHFFFAOYSA-N 299.761 3.788 30 20 CHED C=CC1CCN(C(=O)N[C@@H](c2ccccc2)C(C)C)CC1 600833191 WMWMEIOIKVVQCJ-QGZVFWFLSA-N 286.419 3.991 30 20 CHED CN(Cc1ccc(F)c(Cl)c1)c1c(C#N)cccc1C#N 436376092 GCFYEPNFPGYHOU-UHFFFAOYSA-N 299.736 3.859 30 20 CHED C=CC[C@@H]1N(Cc2ccc(F)cn2)CCCC1(C)C 434505967 AKOQZPSSMOFGNC-HNNXBMFYSA-N 262.372 3.787 30 20 CHED Cc1ccc(F)cc1NC(=O)NCC(C)(C)CCC#N 348137043 BWGYGHJRASBWGI-UHFFFAOYSA-N 277.343 3.586 30 20 CHED Cc1cc(CN(C)Cc2cccc(C#N)c2)cs1 294562603 MTQYFDSDLLATOR-UHFFFAOYSA-N 256.374 3.560 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@H]2CCC[C@@H](C)C2)no1 346254614 PBLMOBGVQLQGAH-RFGFWPKPSA-N 276.380 3.812 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1cc(Cl)ccc1Cl 255516364 HPLVEEXXVVFRKD-UTCJRWHESA-N 295.169 3.931 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2cccnc2)c(Cl)c1 346961228 FMSGCLFOZIKOAS-KRWDZBQOSA-N 297.789 3.944 30 20 CHED C[C@H](NC[C@@H](C)C#N)[C@@H]1C[C@H]1c1ccc(Cl)s1 526986004 RSFHGYIUYYMZDE-XWLWVQCSSA-N 268.813 3.643 30 20 CHED Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@@H](C)C#N 609927946 SCPGHRMXNAEENW-ZFWWWQNUSA-N 298.411 3.616 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2csc(-c3ccccc3)n2)C1 442637358 ORVUCHOGFGYEDW-DZGCQCFKSA-N 297.427 3.634 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccsc1 255070245 WRCKMWUROWEGFQ-RQOWECAXSA-N 250.269 3.922 30 20 CHED C=CCCCC(=O)Nc1ccc2nc(OC)ccc2c1 359169446 CDCUPYFDZDQHST-UHFFFAOYSA-N 270.332 3.538 30 20 CHED C=CCN(CCSc1ccccc1F)C1CC1 538955283 HTEUTAYRESGVGQ-UHFFFAOYSA-N 251.370 3.568 30 20 CHED C=C(CC)CSCc1nnc(-c2ccc(OC)cc2)o1 358638066 UJAWHCIPGRLCIT-UHFFFAOYSA-N 290.388 3.945 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(Cn2cncn2)cc1 449049395 YXNNAYXRQDUHFV-OAHLLOKOSA-N 284.407 3.873 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)N(CC#N)c2ccccc2)C1(C)C 604517866 VLHPGFHSXHCJAZ-JKSUJKDBSA-N 282.387 3.782 30 20 CHED CC1(C#N)CCC(NCC2(c3ccc(F)cc3)CC2)CC1 449086518 BXDODXFAIHHCJO-UHFFFAOYSA-N 286.394 3.919 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)Cc1ccc(Cl)cc1 449548996 SULARZQDHWQJHB-WQVCFCJDSA-N 279.811 3.594 30 20 CHED CC(C)[C@@H](C)C(=O)N(Cc1ccco1)c1ccccc1C#N 264844900 AZLXNILTIGUAFK-CQSZACIVSA-N 296.370 3.977 30 20 CHED N#Cc1ccc(SCc2cn3ccccc3n2)c(F)c1 356067041 WHRXSGVQWBWWSJ-UHFFFAOYSA-N 283.331 3.637 30 20 CHED CC(C)Sc1ccc(C(=O)N(C)CC(C)(C)C#N)cc1 353241572 LBJUNLKKCXPBQH-UHFFFAOYSA-N 290.432 3.809 30 20 CHED C=C(C)CCNC(=O)c1ccc(Cl)c(Cl)c1 448551254 YDLRQFFEJGAJHE-UHFFFAOYSA-N 258.148 3.689 30 20 CHED C=CCCNC(=O)c1oc2ccc(CCC(C)=O)cc2c1C 617612807 QBUGUIIQCSHMDA-UHFFFAOYSA-N 299.370 3.569 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccc(F)cc2)C(F)(F)F)C1 442871305 LJVLIKKPDZXZLX-WQAKAFBOSA-N 286.272 3.711 30 20 CHED C=C(C)CN(CC)C(=O)c1c(-c2ccccc2)noc1CC 354434671 ZSZIPAPXOQWCIF-UHFFFAOYSA-N 298.386 3.942 30 20 CHED CCC[C@H](C)C(=O)Nc1cc(C#N)ccc1OC(C)C 265100160 ZJOLRROQSSDQCR-LBPRGKRZSA-N 274.364 3.720 30 20 CHED C=CCN(C(=O)c1c(C)[nH]c2ccc(Cl)cc12)C1CC1 358019042 JXIBKGCKXPVLCA-UHFFFAOYSA-N 288.778 3.920 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 444028634 WTLMSQUUJVPVOE-ZIAGYGMSSA-N 266.429 3.809 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1CCCc2c1cnn2C 359299652 HQEXNERYGGSEFL-HIFRSBDPSA-N 261.413 3.522 30 20 CHED N#CC1(c2nc([C@H]3CCc4ccccc43)no2)CCCCC1 612933430 VDMXQZXZFOSCGJ-HNNXBMFYSA-N 293.370 3.873 30 20 CHED C=CCCCC[C@H](C)Nc1cccc2c1oc(=O)n2C 449216513 STKMRNLANKWLRR-LBPRGKRZSA-N 274.364 3.678 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCOc3ccccc32)CCCC1 619104385 KTXFHWSSMKDEII-OAHLLOKOSA-N 285.387 3.558 30 20 CHED C=CCOCCCOc1ccccc1OCC(F)(F)F 358589759 YPSACRUSRACMCN-UHFFFAOYSA-N 290.281 3.599 30 20 CHED C=CCC[C@@H](NCCc1csc(C)n1)c1ccco1 353456146 UMEMNLJDMOTJIF-CQSZACIVSA-N 276.405 3.884 30 20 CHED N#CCCCCNc1c(C#N)cnc2ccc(Cl)cc12 266334998 HJZUDHIZKYWUTQ-UHFFFAOYSA-N 284.750 3.866 30 20 CHED CC1(C#N)CCC(NCCc2cccc(Cl)c2)CC1 449058770 LVXYHLRDLZIPMO-UHFFFAOYSA-N 276.811 3.945 30 20 CHED C=C(C)[C@H](CC(=O)NCc1cccc2ccccc12)OCC 534418229 VDTLVCQOBMJKGO-SFHVURJKSA-N 297.398 3.827 30 20 CHED N#Cc1ccc(CNC[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 619748712 RHVWQULEZAYZAA-CORIIIEPSA-N 274.795 3.737 30 20 CHED N#Cc1cccc(Cl)c1N1CC[C@H](c2ccco2)C1 610277880 FLFWQGDISYGOFK-LBPRGKRZSA-N 272.735 3.799 30 20 CHED CC#CCNC(=O)C(CC)(CC)c1ccc(Cl)cc1 536526238 RPQNRGULZNFCBS-UHFFFAOYSA-N 277.795 3.537 30 20 CHED N#Cc1ccc(CNc2cccc(OC(F)F)c2)c(F)c1 533449325 DWJRQYZPCYAAIX-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2c(F)ccc(F)c2C1 442683610 WDEAGGPSMVMJTO-LBPRGKRZSA-N 298.336 3.956 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cc2c(C)c(C)ccc2[nH]1 449547139 GTRWKLOJPBKFAR-MSOLQXFVSA-N 284.403 3.608 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1CCC(C)(C)C#N 611462457 AZUITAKSMXOVNH-GFCCVEGCSA-N 260.356 3.685 30 20 CHED N#Cc1ccc(CN[C@H]2CC[C@H](F)C2)c(C(F)(F)F)c1 352869866 IIZMDKJMNHWLKQ-RYUDHWBXSA-N 286.272 3.557 30 20 CHED C=CCCC1(C(=O)N[C@@H](CCOC)c2ccc(C)o2)CC1 356698619 MTLWIBPCUJJOCA-AWEZNQCLSA-N 291.391 3.528 30 20 CHED CC#CCCCC(=O)N1CC2(CCCC2)[C@@H]1C(C)C 457103884 BCLNHMYRMVKHME-INIZCTEOSA-N 261.409 3.607 30 20 CHED N#CCc1cccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 455923115 SKVCDIZNJLPJMY-DLBZAZTESA-N 297.402 3.843 30 20 CHED N#CC1(CSCc2ccc([N+](=O)[O-])cc2)CCC1 450895229 XHRWOAQGMJOPKT-UHFFFAOYSA-N 262.334 3.522 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2cn(C)c3ccccc23)C1 617785815 ONPDHIVALPLYEE-HNNXBMFYSA-N 296.414 3.536 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCCOCC1CC1 360840379 NFPBIAUIYPOFFZ-LJQANCHMSA-N 298.430 3.732 30 20 CHED C=C(C)CCNC(=O)Nc1cnn(CCC(C)C)c1CC 455275429 XYBHEZPGCJLDLI-UHFFFAOYSA-N 292.427 3.579 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 364319082 SKSNFJDMONLUTC-INIZCTEOSA-N 291.341 3.822 30 20 CHED C=CCC1(c2nc([C@H]3CCCOC3)no2)CCCCC1 453180325 WLUKENWZGPDWGA-ZDUSSCGKSA-N 276.380 3.742 30 20 CHED C=CCC[C@@H](CO)N[C@H]1CCSc2c(Cl)cccc21 453370619 UJGMRTWWYUEVTL-FZMZJTMJSA-N 297.851 3.794 30 20 CHED C=CCCC1(C(=O)N[C@H](CC)CNc2ccccc2)CC1 452466129 YGRLLZMWAGDVBL-OAHLLOKOSA-N 286.419 3.740 30 20 CHED C=CCCC1(C(=O)N(C)[C@H](C)CCSCC)CC1 361753933 LUNJZBYMKHXBKN-CYBMUJFWSA-N 269.454 3.723 30 20 CHED C=C[C@@H](CC(=O)NCC1=CCCCC1)c1ccccc1 452293718 UKUBYABESSYIMK-INIZCTEOSA-N 269.388 3.963 30 20 CHED CC#CCCNC(=O)N[C@H](CC)c1ccc(Cl)cc1 361231334 IQGCCKFPAYTAMK-CQSZACIVSA-N 278.783 3.504 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1c(C)cccc1OC 455291922 RJHOBVIYBKUNMA-UHFFFAOYSA-N 276.380 3.727 30 20 CHED C=CCC1(C(=O)N(CC2CCC2)[C@H](C)CO)CCCCC1 451059649 DWWINEDBJIWGSV-OAHLLOKOSA-N 293.451 3.523 30 20 CHED C=CC(C)(C)C(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1 450295014 UIGJZZPHGAKGQT-AWEZNQCLSA-N 289.419 3.544 30 20 CHED COc1ccc2oc(CN3CCC(CC#N)CC3)cc2c1 542853484 HVAYQADERNIFAO-UHFFFAOYSA-N 284.359 3.567 30 20 CHED C=CCC1(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)CCCC1 451802702 NIAHEVJSLOPUPB-BBRMVZONSA-N 285.387 3.761 30 20 CHED C=CCCN(C)C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 455211753 PLIUFXCNPRNYHJ-IRXDYDNUSA-N 286.419 3.788 30 20 CHED C=CCC[C@@H](NC1CCN(C(C)C)CC1)c1ccco1 278963294 NXBSLLMMXJRQEH-MRXNPFEDSA-N 276.424 3.749 30 20 CHED Cc1c(Cl)cnc(N2C[C@H](C)CC2(C)C)c1C#N 541351097 VAMPQGYBBWNZDC-SECBINFHSA-N 263.772 3.540 30 20 CHED C=C(C)CCNC(=O)[C@H](OC(C)(C)C)c1ccccc1 452718097 OKTLMLUCRUQKLX-OAHLLOKOSA-N 275.392 3.625 30 20 CHED C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1ccccn1 271431940 PYZHCYWXYBPNGS-HNNXBMFYSA-N 282.387 3.839 30 20 CHED CC[C@@H](C)[C@@H](C)NCc1ccc(C#N)cc1OC(F)F 544431992 FWSRTWHFUBDXPT-GHMZBOCLSA-N 282.334 3.684 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 543632352 OBNADCMJYKDZLB-HEHGZKQESA-N 265.372 3.846 30 20 CHED CC(C)(C#N)CC(=O)N1CC[C@](C)(CCc2ccccc2)C1 279044980 QXTZSPNBMUTLKI-IBGZPJMESA-N 298.430 3.798 30 20 CHED C=CCN(C(=O)c1ccc(C(C)C)cn1)C(C)(C)C 622945612 KYEXDPKJACDPNF-UHFFFAOYSA-N 260.381 3.632 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N[C@@](C)(C#N)C(C)(C)C 464160087 VMOHZTRSPBCJQV-WBMJQRKESA-N 266.429 3.893 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 464534798 MOXZUVABAYPPLE-WDEREUQCSA-N 278.421 3.809 30 20 CHED Cc1nnc(NCc2cccc(C(C)C)c2)c(C#N)c1C 547792125 RCTKQLMYTDQJFP-UHFFFAOYSA-N 280.375 3.701 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CC23CCCCC3)c1 285801074 LUTVEDSMTURNEC-CQSZACIVSA-N 288.778 3.664 30 20 CHED C=CCCN(C)C(=O)[C@@H](c1ccccc1)[C@H](C)CC 468183321 OEWJNSIKLNTQRD-GDBMZVCRSA-N 259.393 3.851 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 463313779 KYRJTIHIMWNUJJ-NVXWUHKLSA-N 284.403 3.983 30 20 CHED CC[C@H](C)CCC(=O)N[C@H](C)c1ccc(C#N)cc1 285487769 OVWXSUDENFKZNG-QWHCGFSZSA-N 258.365 3.562 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)c1cccc(Br)c1 462124398 FCWHOLXYHLRJFL-QWRGUYRKSA-N 296.208 3.633 30 20 CHED CC#CCCCC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 558344564 WPEJTNQGAASLAA-BETUJISGSA-N 289.341 3.760 30 20 CHED N#Cc1ccc(NCCOc2ccccc2F)cc1Cl 558064404 UBTYDIGCHKNOGR-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=C(C)CN(CC)C(=O)C1(Oc2ccc(Cl)cc2)CC1 555818283 YXULBKVSNCFVJF-UHFFFAOYSA-N 293.794 3.676 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C1 464164406 ZXVXBVOXJWBFPG-VLXAULBPSA-N 264.413 3.503 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)s1 280687203 REAVFMKMRRDGOW-MQMHXKEQSA-N 286.375 3.795 30 20 CHED Cc1cccc([C@H]2CCN(c3snc(C)c3C#N)C2)c1 553159129 GGURBKRKVJBGHV-AWEZNQCLSA-N 283.400 3.626 30 20 CHED C=C[C@@H](CC(=O)N(CC)CC1CCC1)c1ccccc1 478291272 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Cc1ccc([C@@H](C)C(=O)N[C@@](C)(C#N)C2CCCCC2)o1 742678683 HTEGYBHQMDHFLE-DYVFJYSZSA-N 288.391 3.670 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC2(CCC2)CC1 672255367 XNFZZMMHGKUFEH-UHFFFAOYSA-N 285.387 3.658 30 20 CHED CC(F)(F)CCC(=O)N(CC#N)c1ccc(Cl)cc1 592650694 NNNQGRDIOTYTRY-UHFFFAOYSA-N 286.709 3.632 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)C[C@H]1CCOC1 749566483 WDUAGMWNNZWJFJ-HZPDHXFCSA-N 298.471 3.661 30 20 CHED C=C[C@H](C)ON=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 844621237 FBCMGZLOIBXVHJ-NEPJUHHUSA-N 276.336 3.740 30 20 CHED CSCCON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853341271 KUHCVJOWHXPRKA-NXEZZACHSA-N 269.332 3.721 30 20 CHED C=CCC[C@H](O)CN(C)c1ccc(-c2nccs2)cc1 846997306 WSTDYIJUFHUVSK-HNNXBMFYSA-N 288.416 3.573 30 20 CHED CCOc1ccc(CN(CCC#N)C(C)C)c(C)c1 596985588 FIMIOOCDMLTUJI-UHFFFAOYSA-N 260.381 3.518 30 20 CHED C#C[C@H](OC(=O)C1(C(F)F)CCCC1)c1ccccc1 842364291 VJPHWCPTIHUGSA-ZDUSSCGKSA-N 278.298 3.730 30 20 CHED COc1ccc2c(c1)O/C(=C/c1c(F)cccc1F)C2=O 749131889 GZHQAJFZFZQHSE-OVCLIPMQSA-N 288.249 3.590 30 20 CHED Fc1ccc2c(c1)C(=NNc1ccccc1F)CC2 748780217 GGNVILMKTMLKMG-UHFFFAOYSA-N 258.271 3.727 30 20 CHED CN(CCc1cccs1)C(=O)CC1(C#N)CCCCC1 597310291 IZJUQPBKGHOJRP-UHFFFAOYSA-N 290.432 3.613 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cc(C(C)=O)c[nH]1 918000618 VQAUTBNQRFUOBS-CYBMUJFWSA-N 292.423 3.944 30 20 CHED CCCCCCCCC(=O)N[C@H]1COc2ccccc2C1 917138310 OKUJHOXQIBHGPU-MRXNPFEDSA-N 289.419 3.857 30 20 CHED C=CCN(C(=O)NCC[C@@H](OCC)C1CCCC1)C(C)C 747591526 CEKBMPHZQBSZAH-MRXNPFEDSA-N 296.455 3.578 30 20 CHED C=CCSCCNC(=O)Nc1nc(C(C)C)c(C)s1 596970449 OMRBCEWKDGGOMN-UHFFFAOYSA-N 299.465 3.616 30 20 CHED CCC(=NNc1cc(F)c(F)c(F)c1)C1CCOCC1 747642735 UIKUHQVEHVSNOM-UHFFFAOYSA-N 286.297 3.708 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C\C1CCCC1 843556832 LQXJABTYKPGBQX-YFHOEESVSA-N 287.334 3.523 30 20 CHED N#Cc1csc(C=NNc2cccc3cnccc23)c1 748075193 GEGXQSJACVQYHS-UHFFFAOYSA-N 278.340 3.614 30 20 CHED Cc1cc(NN=C2CCO[C@@H]2C)nc2ccc(Cl)cc12 747754758 CKBPSZOLUGZWQG-SNVBAGLBSA-N 289.766 3.773 30 20 CHED CCC[C@H](C)CC(=O)Oc1ccc(C#N)cc1OCC 748610875 SSYPHXSBYQLYLQ-LBPRGKRZSA-N 275.348 3.689 30 20 CHED C=C(C)COC(=O)c1cccc(-c2nc(C)cs2)c1 740408723 UVUWSLVUVXUMHY-UHFFFAOYSA-N 273.357 3.851 30 20 CHED C=CCCN(C)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1 683218656 AWWLNHFGYCNZSW-UHFFFAOYSA-N 293.235 3.632 30 20 CHED COc1cccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1O 846149162 WNJCKLCGRFVZNJ-STQMWFEESA-N 296.370 3.684 30 20 CHED C#CCN(Cc1ccnc(Cl)c1)[C@H]1CCc2ccccc21 748806597 KPXLCYJZKNKJIQ-KRWDZBQOSA-N 296.801 3.858 30 20 CHED N#CC1(C(=O)OCc2cc(Cl)ccc2Cl)CCC1 745064377 XKWPVLJOWQTEAM-UHFFFAOYSA-N 284.142 3.730 30 20 CHED N#CC1(C(=O)O[C@H]2CCc3ccc(F)cc32)CCCCC1 747881121 LUEOROWTUUTHDU-HNNXBMFYSA-N 287.334 3.830 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2cc(F)ccc2F)c1 757467536 GCWSVTKAMSYPAG-QHHAFSJGSA-N 290.265 3.575 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)c(O)c1 757473608 ZQIHUKOJBFLMPM-QPJJXVBHSA-N 298.338 3.619 30 20 CHED C/C(=C\C(=O)O[C@H](C)C(C)(C)C#N)c1cccs1 857014067 AKLPWCAWEHDFRW-RJCSOLBVSA-N 263.362 3.633 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(C(C)(C)O)cc1 926349789 DZKKEUVMDNGTNB-XJKSGUPXSA-N 261.409 3.919 30 20 CHED COc1ccc(NN=C(C)c2ccccc2OC)cc1 750945645 IDQIBVZRJYFKIF-UHFFFAOYSA-N 270.332 3.540 30 20 CHED COC1(C(C)=NNc2nc3ccccc3s2)CCC1 853256703 YGSITZRRRLADSK-UHFFFAOYSA-N 275.377 3.653 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CSCCS1 755495634 NRJIESBXYHAKES-ZDUSSCGKSA-N 289.510 3.702 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)Oc2ccc(Cl)cc21 755592946 KRBPDYFIOWJICM-MKMNVTDBSA-N 290.677 3.801 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cc(O)cc(O)c1 753692376 TZZHVAUSTGZWER-UHFFFAOYSA-N 276.723 3.587 30 20 CHED COc1cc2c(cc1/C=C1\CCCC(C)(C)C1=O)OCO2 758931449 NMANWYCYVUSEQM-YRNVUSSQSA-N 288.343 3.587 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@@H]2CC=CCC2)c1 920990969 LXDWHCSXIZUZJR-LVLBFHFTSA-N 259.349 3.566 30 20 CHED COc1ccc2ccccc2c1C=NNc1cc(C)ccn1 755904012 UWCLTIQRKWXYPJ-UHFFFAOYSA-N 291.354 3.998 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 753588774 ZWRTXWUEPTZZMT-CQSZACIVSA-N 299.201 3.825 30 20 CHED FC(F)CON=C1CCOc2c1ccc(Cl)c2Cl 758902099 BQXLTTCMULOTTG-UHFFFAOYSA-N 296.100 3.762 30 20 CHED CC/C(=C\C(=O)N(CC)[C@@H](C)C#N)c1ccc(C)cc1 856075957 SXECULVOEAINRR-AYYGCFCKSA-N 270.376 3.549 30 20 CHED C#CCCCOC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 758859495 ZUUCHWNETQZVCC-UHFFFAOYSA-N 292.203 3.554 30 20 CHED CCCn1nccc1/C=C1/Cc2c(Cl)cccc2C1=O 853006059 YLZIOYMOSSSFSH-LUAWRHEFSA-N 286.762 3.769 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cc(O)cc(O)c2)cc1 753715950 HFCLDSGNJOVTFR-YVMONPNESA-N 298.338 3.783 30 20 CHED C=CCCC(CC)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 750912018 IVKABNYJSUIAHI-UHFFFAOYSA-N 292.295 3.647 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@]12CCc1ccccc12 851210841 YRBAOGGVUIISSR-AZOIQLNYSA-N 297.398 3.762 30 20 CHED Cc1oc(C)c(C(=O)OCc2cc(F)ccc2C#N)c1C 759351815 NGAYPAPFDCSPMW-UHFFFAOYSA-N 287.290 3.573 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H]1CCc2ccccc21 929744991 OZVIBCZFMIOQKR-SFHVURJKSA-N 290.366 3.626 30 20 CHED CCSc1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)ccn1 851207572 ZISLBEXGSWJBNU-NSHDSACASA-N 292.404 3.679 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@@H]1CCC[C@H]1C 851205972 LJPLQDHWZRJOIE-UPJWGTAASA-N 251.370 3.684 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cnc(C2CC2)s1 851210420 QGWWLBKCHPYNRH-VIFPVBQESA-N 278.377 3.506 30 20 CHED C=C[C@H](CC)CC(=O)NC(C)(C)c1cccs1 933035182 KVRAPQWITUMOQV-LLVKDONJSA-N 251.395 3.702 30 20 CHED Fc1ccc(/C=C\C=NOC2CCCC2)c(F)c1 758127905 VJGMQMHZJFOSGY-LBLZXBBTSA-N 251.276 3.923 30 20 CHED CC(C)=CCCC(C)=NNc1nc(O)c2ccccc2n1 757583531 MCCWWFLWQYTGMW-UHFFFAOYSA-N 284.363 3.870 30 20 CHED C=C1CCN(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC1 930826879 BCYIFGLYPHYUOU-LLVKDONJSA-N 292.345 3.715 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1CCCSCC#N 932278489 PSZACYIYQCTYTL-NVXWUHKLSA-N 288.460 3.901 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(F)cc1Cl 860193961 FYIQCOLOTGHLCW-UHFFFAOYSA-N 283.730 3.852 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc3cccnn23)CCCC1(C)C 767219165 PLMFZIYWNKHRED-INIZCTEOSA-N 297.402 3.541 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cccc(C(=O)O)c1 765823387 DKGRDNNJYQHLBY-FPLPWBNLSA-N 296.322 3.598 30 20 CHED CCC(=NNc1cccc(OC)c1)c1ccc(O)c(F)c1 764669242 KIHXKMYXGZYUON-UHFFFAOYSA-N 288.322 3.766 30 20 CHED CCOc1ccc(/C=N/CCC[C@H]2CCCCO2)c(O)c1 761016175 VGKDBJLDSUYLNP-COYFKBPASA-N 291.391 3.559 30 20 CHED FC(F)(F)CON=CCCCCOc1ccccc1 764835573 LYZBOCWXJOQASP-UHFFFAOYSA-N 275.270 3.800 30 20 CHED CC(CCc1ccco1)=NNc1ncnc2ccsc12 764835656 OVHHBRGJBHBVNL-UHFFFAOYSA-N 286.360 3.705 30 20 CHED CCCC(CCC)=NNc1cc(C#N)cc(Cl)n1 768382636 VNHFNAJDCDMJBU-UHFFFAOYSA-N 264.760 3.975 30 20 CHED Fc1cc(NN=Cc2ccco2)ccc1Br 769827811 MHRCFAKWVJGQGJ-UHFFFAOYSA-N 283.100 3.627 30 20 CHED O=C(/C=C\c1cccc(-n2cccn2)c1)c1ccc(F)cc1 760265329 QSDLZPRXKBWISV-YHYXMXQVSA-N 292.313 3.908 30 20 CHED C=CCN(CCc1ccco1)Cc1nc(Cl)cs1 877168549 NWHSJMGWQVIRBJ-UHFFFAOYSA-N 282.796 3.620 30 20 CHED CC(C)Cc1ccc(C(=O)OCC2(C#N)CCC2)cc1 768095308 OVSGAZXMRLQYRF-UHFFFAOYSA-N 271.360 3.736 30 20 CHED C#CCCCCC(=O)OCC(=O)c1ccc(C(C)C)cc1 773631688 ZYYMTSLORAUEQJ-UHFFFAOYSA-N 286.371 3.730 30 20 CHED CS[C@@H]1CCCCN(c2nc3ccccc3cc2C#N)C1 771925029 UGAOKRVNBUPLEO-OAHLLOKOSA-N 297.427 3.828 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@@H](C)[C@@H]1C 773077131 CWPQWDXBIUGYCK-NEPJUHHUSA-N 260.385 3.824 30 20 CHED C=C(Br)COc1ccc(C)c2c1C(=O)C[C@@H]2C 1115986479 KGBZKSJJKVBXJT-VIFPVBQESA-N 295.176 3.972 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1cc(F)ccc1OC 878286463 OTIYPKRRXFYFCW-LLVKDONJSA-N 279.355 3.614 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C(=O)c1csc(C#N)c1 1117752509 HWPJTKLKPWRCRY-HNNXBMFYSA-N 298.411 3.713 30 20 CHED Cc1cc(N(C)C)cc(C)c1NC[C@H](C)CCC#N 877350878 PJMZSTAXTWAKEP-GFCCVEGCSA-N 259.397 3.721 30 20 CHED C=C(CC)COC(=O)CCC(=O)c1ccc(C)s1 773477014 SZNDGKFDGDNBQH-UHFFFAOYSA-N 266.362 3.529 30 20 CHED C#CCCCCCC(=O)N(CC)Cc1c(F)cccc1F 779897991 FLEXVCRLDVPIMX-UHFFFAOYSA-N 293.357 3.897 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2ccn(C)c2c1 1126998221 ZGFMUDPVWDPYCB-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C=C1CCC(C(=O)Nc2ccc(NC(C)=O)c(C)c2)CC1 887931378 SCJOUDGIRQQOKX-UHFFFAOYSA-N 286.375 3.638 30 20 CHED CCN(CC)c1ccc(/C=C/C(=O)c2ccncc2)cc1F 776188430 OYKHAIWHHKOMAE-SOFGYWHQSA-N 298.361 3.963 30 20 CHED Cn1c([C@@H](C#N)C(=O)[C@@H]2CCCC2(C)C)nc2ccccc21 773942870 IBRUJSHQGXYMHO-STQMWFEESA-N 295.386 3.576 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1Br 887583743 MQUXJCXKEXBJDA-UHFFFAOYSA-N 282.181 3.990 30 20 CHED CC1(C)CC[C@H](C(=O)OCc2cc(F)ccc2C#N)C1 781695541 COAILLNLBRBXST-NSHDSACASA-N 275.323 3.567 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1noc(C2CCCCC2)n1 785760477 CEZQWEGRFMLRBV-MRXNPFEDSA-N 292.379 3.763 30 20 CHED CCCCC[C@@H](CC)C(=O)N1CCC(CC#N)CC1 782052504 DGZFSDNWRBWFPZ-OAHLLOKOSA-N 264.413 3.745 30 20 CHED C=C1CCC(C(=O)Nc2cc(C)n([C@H](C)CC)n2)CC1 889870241 ZJAYTXIZVUTMPJ-GFCCVEGCSA-N 275.396 3.847 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1csc(C)n1 783877373 JHFZVXHSUXDSLW-UHFFFAOYSA-N 290.779 3.813 30 20 CHED C=CCCCCCOC(=O)[C@@H](C)Cc1c(C)nn(C)c1C 783863675 UERFOJWMMQWQNI-ZDUSSCGKSA-N 292.423 3.505 30 20 CHED Cc1nc(Cl)cc(NN=CC(C(C)C)C(C)C)n1 789019980 AKQWJUHKIUGSJD-UHFFFAOYSA-N 268.792 3.764 30 20 CHED C(=NNc1ccccc1)c1c[nH]nc1-c1ccsc1 780186472 JFBAKYSCRCXBQU-UHFFFAOYSA-N 268.345 3.584 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 788625865 JALIOMUGYAXMKT-LAQRGFTBSA-N 275.436 3.935 30 20 CHED C=Cc1ccc(C(=O)OCc2ccc(OCC#N)cc2)cc1 785631119 WNQSEHRUVYRNMT-UHFFFAOYSA-N 293.322 3.589 30 20 CHED C=CCCCCCOC(=O)Cc1ccc(C)c(O)c1 784519522 WEUDVDGAFGNVQU-UHFFFAOYSA-N 262.349 3.533 30 20 CHED C#CCC1(C(=O)N[C@H]2CCC[C@H](SC)C2)CCCCC1 788223351 COHSBEJROUULIM-GJZGRUSLSA-N 293.476 3.751 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C1/CC[C@@H](C)C1 787943859 CIKIPIRRSAFDDH-NXXVSJRMSA-N 262.397 3.664 30 20 CHED C=C[C@@](C)(CC)C(=O)OCCCc1ccsc1 785766816 DNKYFOJKFIKYQA-AWEZNQCLSA-N 252.379 3.826 30 20 CHED CSc1ccc(CN(CCC#N)Cc2ccco2)o1 893881794 QRWVDLZBHWJKMC-UHFFFAOYSA-N 276.361 3.510 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)[C@@H]1CCCCS1 783430752 JONIIHYXYAVSIU-ZDUSSCGKSA-N 295.791 3.541 30 20 CHED C=CCC1(c2nc([C@@H]3CC3(Cl)Cl)no2)CCC1 896812318 ZCIAVJDGDOMIKX-QMMMGPOBSA-N 273.163 3.729 30 20 CHED Cc1ncc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)s1 90404766 MYZPUBYXCSPQIE-QWRGUYRKSA-N 271.389 3.735 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1ccccc1C)c1ccco1 796762400 UXJYEZNNRJWSKO-IAGOWNOFSA-N 285.387 3.919 30 20 CHED N#Cc1cc(/C=C2/CCc3ccc(O)cc3C2=O)ccc1F 794960646 VOCLYFJFYHLGJX-QPEQYQDCSA-N 293.297 3.615 30 20 CHED Cc1cc(C#N)ccc1N1CCC[C@H]([C@H]2CCCCO2)C1 894577876 LZNFOMXRUIFJOT-FUHWJXTLSA-N 284.403 3.652 30 20 CHED C[C@@H]1CCN(Cc2cc(F)ccc2C#N)CC1(C)C 546125631 KAIYJDPZHXGRDI-GFCCVEGCSA-N 260.356 3.565 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(NC(N)=O)cc1 793524210 KRPXQQOKLAMEME-CQSZACIVSA-N 289.423 3.792 30 20 CHED C=C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 513457712 YWIMCXILZNFYKY-UHFFFAOYSA-N 271.282 3.737 30 20 CHED Cc1cc(CNc2cccc(OCC#N)c2)cc(Cl)n1 797601499 ULVNFHJYOALGIZ-UHFFFAOYSA-N 287.750 3.558 30 20 CHED CC(C)(C#N)CC(=O)Oc1cccc(-c2nccs2)c1 790874591 HYSOBRYLNJKVQS-UHFFFAOYSA-N 286.356 3.655 30 20 CHED COC(=O)c1cc(NN=C2CCC23CCCC3)ccc1C 793098567 UMULVHBEAWIHQH-UHFFFAOYSA-N 286.375 3.904 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 791064338 GFAAQKSLGXJFSQ-MSOLQXFVSA-N 298.430 3.513 30 20 CHED C#CCCCCNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798468475 HDCJMNOWSNCWCN-LBPRGKRZSA-N 297.320 3.729 30 20 CHED Cc1cc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)oc1C 799894660 AXCDMWQWWKSHFK-PLNGDYQASA-N 299.157 3.833 30 20 CHED N#C[C@@H](C(=O)[C@@H](F)CC1CCCCC1)c1ccccn1 796632859 NZFCLRGFVZHAPQ-KGLIPLIRSA-N 274.339 3.566 30 20 CHED N#Cc1cc(Cl)ccc1NCc1ccc2c(c1)OCO2 61674941 HZVIULUATBDRKN-UHFFFAOYSA-N 286.718 3.552 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1ccnc(F)c1 794721509 YSTUGGMOHFQTPR-WAYWQWQTSA-N 293.244 3.718 30 20 CHED C[C@]1(C=NNc2ccc3ccccc3n2)CCCS1 792883319 LCPUYKVYHWEZHV-OAHLLOKOSA-N 271.389 3.918 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1cc(F)ccc1F 796892351 MMTLLTPWEYOTJK-XPTSAGLGSA-N 267.275 3.509 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cncc(Br)c1 568276762 OZVFUUKJOAFILX-GWCFXTLKSA-N 283.213 3.849 30 20 CHED C=C(CNCc1ccc(N(C)C)cc1)c1ccccc1 742718701 WMAXFFDZIRISRY-UHFFFAOYSA-N 266.388 3.556 30 20 CHED CC1(C)CCC(Nc2cccc(OCC#N)c2)CC1 79625480 UIPSGLLFELWFMT-UHFFFAOYSA-N 258.365 3.970 30 20 CHED C=CCCSCCNCc1ccc2[nH]ccc2c1 594960185 MQLVMZXUAYEFTL-UHFFFAOYSA-N 260.406 3.567 30 20 CHED COc1cccc(NCc2ccc(C#N)c(C)c2)c1F 767684137 MOVLBDLDMVQKEK-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C#CCCCCN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 90397271 ORTCQKFMZFPJGS-INIZCTEOSA-N 274.364 3.829 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 1154486259 RNQWCJRNQDNASL-QZTJIDSGSA-N 298.430 3.654 30 20 CHED CCN(Cc1ccccc1Cl)c1ccc(C#N)c(C)n1 1306930471 YSGVNIMEKJAVCP-UHFFFAOYSA-N 285.778 3.942 30 20 CHED CCC(CC)CN(CCC#N)CCN(C)c1ccccc1 1167558975 VYBRLPUXXZIDRQ-UHFFFAOYSA-N 287.451 3.775 30 20 CHED N#CCOc1ccc(NC(=O)c2cc3occc3s2)cc1 1318649713 PEKWCWJEMKLKIJ-UHFFFAOYSA-N 298.323 3.649 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cccc(Cl)c1 1319641471 QZQQFTPMNPXWPD-UHFFFAOYSA-N 269.731 3.720 30 20 CHED C#CCN(CC1CC1)C(=O)/C=C(/C)c1cccc(Cl)c1 1324383305 ZXIOKCGBVFDYOW-RAXLEYEMSA-N 287.790 3.615 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(OCCC(C)C)cc1 1324382125 AJDCNSPULTYLGB-UHFFFAOYSA-N 299.414 3.597 30 20 CHED CCCCCCCCCNC(=O)Cc1cccnc1C 1321819935 YUNGHVQQCQKMJI-UHFFFAOYSA-N 276.424 3.799 30 20 CHED C=CCC(CC=C)C(=O)NCCc1c[nH]c2ccc(C)cc12 1336246435 KSVLDDBMNOYBQV-UHFFFAOYSA-N 296.414 3.903 30 20 CHED N#Cc1c(F)cccc1SCCCCCCCO 1330265265 KVSNHTKDENZCCV-UHFFFAOYSA-N 267.369 3.732 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc2c(c1)C[C@H](C)O2 1180029577 CFIKUJQYBAEEPN-HNNXBMFYSA-N 286.419 3.772 30 20 CHED Cc1nsc(SCc2cccc(F)c2F)c1C#N 1187593738 PXODLSKXRLCAIA-UHFFFAOYSA-N 282.340 3.894 30 20 CHED C=CCC[C@H]1CCCN1C(=O)/C(C)=C/c1ccco1 1347520971 DQIPYHDWGKDIED-FNDVETGQSA-N 259.349 3.640 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccccc1OC 1347474109 KWNITKZEDMQRGC-ZDUSSCGKSA-N 274.364 3.658 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1oc2ccccc2c1C 1346892757 NNLZFTGXWAWNAG-LBPRGKRZSA-N 257.333 3.885 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)c1ccc(C#N)cc1F 1350634576 JRVUWQWYLXQRKY-GFCCVEGCSA-N 282.318 3.531 30 20 CHED N#Cc1ccc(NC(=O)C2(C3CCCCC3)CC2)cc1F 1436589016 KHONRPSGEOCQEV-UHFFFAOYSA-N 286.350 3.996 30 20 CHED CCOc1cccc(F)c1CN(CCC#N)CC(C)(C)C 1461894896 FOXFHUMFADJWCN-UHFFFAOYSA-N 292.398 3.986 30 20 CHED O=C(O)c1ccc(NN=Cc2ccsc2)cc1Cl 1608903811 RLCQWZBTGGMLRG-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@H](C)Cc2ccccc21 110250613 YHRRLNCMRHWNKW-CYBMUJFWSA-N 270.376 3.542 30 20 CHED Cc1sccc1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1534658959 PYVODTLPKHQWBP-UHFFFAOYSA-N 290.775 3.858 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C 1538673635 VQRNAYXBEBAAFN-XPKDYRNWSA-N 284.403 3.669 30 20 CHED CC[C@@H](Nc1cc(C#N)nc(C)n1)c1ccc(C)c(F)c1 1472743372 UZXZCSJEUUVCQT-OAHLLOKOSA-N 284.338 3.667 30 20 CHED N#Cc1nc(NC(C2CCC2)C2CCC2)ccc1Cl 1559185676 BAPYFLBBHYBZSI-UHFFFAOYSA-N 275.783 3.987 30 20 CHED Cc1cc(Sc2cc(C(C)C)ncn2)ccc1C#N 1559218874 USGMKFBYEHJZCP-UHFFFAOYSA-N 269.373 3.931 30 20 CHED C[C@H](Nc1nccc2occc12)c1ccc(C#N)cc1 227532253 LRXDOKALDRPINQ-NSHDSACASA-N 263.300 3.873 30 20 CHED C[C@@H](C#N)CN(C)C(=O)NCC1CC(C)(C)CC(C)(C)C1 1636770047 JUKBVBLPPJILJW-ZDUSSCGKSA-N 293.455 3.640 30 20 CHED N#C[C@@H]1CCCN(C(=O)C2=C(c3ccccc3)CCCC2)C1 1637736886 LQUFFDSYYSHZBH-HNNXBMFYSA-N 294.398 3.776 30 20 CHED Cc1ccc(CN2CCc3ccc(C#N)cc32)cc1F 1645169601 NIHZDGQWLNCTCB-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CC(C)[C@]1(C)C[C@@H]1Nc1nc(C#N)c(Cl)s1 1640004882 SPPYFFMWOBSMFT-KWQFWETISA-N 255.774 3.515 30 20 CHED CSc1cc(C)c(C(=O)Nc2cc(C)cc(C#N)c2)o1 1583754960 LBOOJYUTIRBNFX-UHFFFAOYSA-N 286.356 3.742 30 20 CHED CC[C@H](Nc1cc(C#N)nc(C)n1)c1ccc(C)cc1 1651580051 DSOWSKPGAYJKAI-HNNXBMFYSA-N 266.348 3.528 30 20 CHED N#Cc1cccnc1NC[C@@H]1CCC[C@@H]1c1ccccc1 1655509921 YFEXXAQXKFSOFH-DLBZAZTESA-N 277.371 3.949 30 20 CHED CCc1cc(Sc2ccc(C#N)c(C)c2)nc(CC)n1 1651969729 KVNFCRYGALOBAZ-UHFFFAOYSA-N 283.400 3.933 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCC(C)(C)CCC#N 229677756 HFAXCSXWFFSMOI-CQSZACIVSA-N 274.408 3.984 30 20 CHED C[C@H](Cc1ccc(NCC(C)(C)CCC#N)cc1)C(=O)O 1592877083 IVMZNWCCWGSKSJ-CYBMUJFWSA-N 288.391 3.692 30 20 CHED N#Cc1ccc(C(=O)Nc2c(F)cccc2Cl)cc1 122237030 QJCYMBAFGSRRBS-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1 231550357 VOBZCZLIMWZSPI-UHFFFAOYSA-N 273.694 3.713 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@H](C)C2CCCCC2)C1 1776154640 OPVAKDNKBALLFQ-YJBOKZPZSA-N 293.451 3.946 30 20 CHED C=CCCCCN1CCC[C@@H]([C@@]23CC[C@@H](C2)[C@H]3C(=O)O)C1 1776174838 HEHBKWLSIJZLMW-UIBIWLFHSA-N 291.435 3.556 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)[C@@H](C)c1ccccc1 1776084580 ZXSRSWLGUSJULF-CYBMUJFWSA-N 296.370 3.905 30 20 CHED O=C(O)c1ccc(C=NNc2ccc(F)c(Cl)c2)cc1 1776098131 YMUYTNYOASXLGB-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CC[C@H](NN=Cc1ccc(C2CCCCC2)cc1)C(=O)O 1776067663 HAPOVVLGZIRGLF-INIZCTEOSA-N 288.391 3.521 30 20 CHED CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C#N)cc1 13994566 KJUKJUFISJFVSM-MRXNPFEDSA-N 294.354 3.663 30 20 CHED C[C@@H]1/C(=C/c2cccc(C#N)c2)C(=O)c2c(O)ccc(F)c21 14180141 VTCIBRVEQRSGOP-GARZTLJTSA-N 293.297 3.786 30 20 CHED COc1cc(N[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1 19909513 RETZJLIEWYPIHM-LBPRGKRZSA-N 282.343 3.749 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2c(Cl)cccc2C1 150807582 DFWWBIAQVOQNFI-UHFFFAOYSA-N 289.806 3.993 30 20 CHED CC(=O)Nc1cccc(NCC#Cc2cccc(Cl)c2)c1 161192767 GSZNGEALBKFNDK-UHFFFAOYSA-N 298.773 3.762 30 20 CHED CC[C@H](c1ccccc1)[S@@](=O)Cc1cccc(C#N)c1 161641949 OXOOXKVOUXZFPV-YLJYHZDGSA-N 283.396 3.958 30 20 CHED C=CCC[C@H](NC(=O)N(C)CC(F)F)c1ccccc1 160509630 VRAPHENOUXPBQE-ZDUSSCGKSA-N 282.334 3.600 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1N(C)C 151370924 OPNMKWLCZXHCIS-UHFFFAOYSA-N 293.798 3.612 30 20 CHED CCn1nccc1/C=C/C(=O)c1oc2ccccc2c1C 152626220 DSQGKCYUSCRWJB-CMDGGOBGSA-N 280.327 3.854 30 20 CHED COc1cccc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@H]2C)c1 7333204 MFXRGILJYYPMMM-AVMBBCFPSA-N 298.313 3.923 30 20 CHED N#Cc1ccc(CN2CCCCC[C@@H]2c2ccncc2)o1 157012084 BWKHOAIBCOKXBG-QGZVFWFLSA-N 281.359 3.664 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(OCC#N)cc2)c1 8321699 KJMHMNNQTPHFBA-BJMVGYQFSA-N 277.323 3.794 30 20 CHED O=C1/C(=C\c2ccc(O)c(Cl)c2)Cc2c(O)cccc21 207715905 AKNNXPNHYVZXTE-POHAHGRESA-N 286.714 3.574 30 20 CHED C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)CC(C)(C)C1 37748748 DAZUKJZEJPAFAT-CZUORRHYSA-N 256.393 3.863 30 20 CHED CCC1CCC(CNC(=O)C2(C#N)CCCCC2)CC1 44569198 CAQHRXSYPCARGW-UHFFFAOYSA-N 276.424 3.793 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1ccc(C#N)cc1 45026972 CXIQPVMFQXJLJV-GFCCVEGCSA-N 259.353 3.504 30 20 CHED Cc1cc(C)cc(N(C)Cc2cccc(C#N)c2)c1 48400512 XCBRZAIYJPJDKQ-UHFFFAOYSA-N 250.345 3.812 30 20 CHED N#Cc1ccc(N2CCC(C(F)F)CC2)cc1Cl 307871244 IIJMROXIUQWMBV-UHFFFAOYSA-N 270.710 3.693 30 20 CHED C=CCCN[C@H]1CCc2ccc(Br)cc21 308804580 OCBJDKGZIZBKMF-ZDUSSCGKSA-N 266.182 3.602 30 20 CHED CCCC[C@H](C)N(C)Cc1cc(C#N)ccc1OC 312115001 OZGZKXWRQDFKDN-ZDUSSCGKSA-N 260.381 3.577 30 20 CHED N#Cc1cc2ccccc2nc1N[C@H]1CCC(F)(F)C1 313606472 WNDQVDDJHCWJHG-LBPRGKRZSA-N 273.286 3.706 30 20 CHED CCO[C@@H]1C[C@H](Nc2ccc(C#N)cc2)C12CCCC2 85678089 YBMQMESPVHQGFQ-JKSUJKDBSA-N 270.376 3.708 30 20 CHED C=CC[C@H](CC)NCc1cc(OC)c(OC)cc1SC 341433632 NRNTYRUMIKTXQM-ZDUSSCGKSA-N 295.448 3.870 30 20 CHED C#CC1CCN(C(=O)c2cc(SC)ccc2Cl)CC1 704362363 CXYHHVOWQLDFTE-UHFFFAOYSA-N 293.819 3.547 30 20 CHED Cc1nc(N2CC[C@H](C3CCCCC3)C2)ccc1C#N 708812755 BJXAIHHBBVFZPM-INIZCTEOSA-N 269.392 3.668 30 20 CHED N#Cc1cc(N[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])s1 695137584 OGNNUTQVLNDSMO-ZETCQYMHSA-N 287.291 3.518 30 20 CHED C=C(Cl)COC(=O)C(C)(C)COCc1ccccc1 800293498 SSLKCYRULFBZCZ-UHFFFAOYSA-N 282.767 3.525 30 20 CHED C#CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1 8570471 FNZFAIQQSCKKAO-UHFFFAOYSA-N 279.339 3.568 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1CCCc2ccccc21 54668969 DQJZDBAIFSVKRH-INIZCTEOSA-N 276.339 3.617 30 20 CHED CCC[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 174104095 NBSXZZDOCASXCF-DGCLKSJQSA-N 299.399 3.818 30 20 CHED N#Cc1ccc(OC(=O)C2(c3ccccc3)CCC2)cc1 52604171 OALZXDBFKKGBQW-UHFFFAOYSA-N 277.323 3.586 30 20 CHED N#Cc1cccc(COC(=O)/C=C/Sc2ccccc2)c1 27114059 HJTSTOOVFPMXCL-MDZDMXLPSA-N 295.363 3.907 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(C#N)cc1F 51923812 CWJODZIMBFHVCC-UHFFFAOYSA-N 282.362 3.762 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccc(Cl)cc2Cl)C1 179863317 UUBVXSWSJLXDPX-PSASIEDQSA-N 284.142 3.842 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NCc1cc(C#N)ccc1F 178227717 HHFNZDMDHHBOKB-UHFFFAOYSA-N 299.305 3.835 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3c(Cl)cccc32)o1 174318940 UEEZTJPYIRHDRY-HNNXBMFYSA-N 272.735 3.582 30 20 CHED N#Cc1ccccc1CNc1cc(F)c(F)c(F)c1 61095801 QSWCUKVYMNJDHJ-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=CCCCC(=O)NCc1csc(-c2ccccc2)n1 175154851 ZSUDKXMLKVQGBQ-UHFFFAOYSA-N 286.400 3.783 30 20 CHED CCCCN(Cc1ccc(C#N)s1)CC(F)(F)F 119719496 XTAUNIBRXJMMFU-UHFFFAOYSA-N 276.327 3.784 30 20 CHED N#Cc1ccc(Cl)cc1N1Cc2ccccc2C1 62790084 XZVSPNIEXTYOON-UHFFFAOYSA-N 254.720 3.732 30 20 CHED N#C[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)C1CC1 177031021 HOMNDTCPGZWWIF-QGZVFWFLSA-N 277.323 3.813 30 20 CHED C[C@H](N(C)C(=O)c1cccc(SCC#N)c1)C1(C)CC1 175629927 IFEIFFREHRPLHQ-LBPRGKRZSA-N 288.416 3.563 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](C)OCCC(C)C)c1 68799338 WBBFHTAOACOJGS-CQSZACIVSA-N 291.391 3.641 30 20 CHED Cc1oc2ccccc2c1CNc1ccc(C#N)cn1 302213767 FZBNDVMQIARLMP-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=CCCCC(=O)N(Cc1cccs1)C[C@H]1CCCO1 175612749 IYDYIXBXHFGHOK-CQSZACIVSA-N 293.432 3.612 30 20 CHED C#CCCCN[C@H](C)c1ccc(F)cc1Br 178055241 FMGHJLREEQVUHN-SNVBAGLBSA-N 284.172 3.652 30 20 CHED CC/C(=C\C(=O)NCCCCC#N)c1ccc(C)cc1 172833128 WTDIPYMDKHLLOZ-FYWRMAATSA-N 270.376 3.599 30 20 CHED N#Cc1cccc(OC2CCN([C@@H]3C=CCCC3)CC2)c1 171743329 YZTTUZOLXFYNNX-MRXNPFEDSA-N 282.387 3.510 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cc(C#N)cs1 176841087 FFSQBWALJXRTFE-SNAWJCMRSA-N 283.352 3.833 30 20 CHED N#Cc1ccc(N2CCCCCC2)c(C(F)(F)F)c1 301195973 ZACJHTDJNBHGCI-UHFFFAOYSA-N 268.282 3.957 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(C#N)cn2)C1 301338354 DDWVUSDQUFKALT-ZBFHGGJFSA-N 277.371 3.644 30 20 CHED N#Cc1ccc(/C=C2/CCc3cc(F)ccc3C2=O)s1 176409688 SFNLHSJMYRBJLN-FLIBITNWSA-N 283.327 3.971 30 20 CHED C#CC[C@@H](C)OC(=O)C1c2ccccc2Oc2ccccc21 1343331982 RIJUARZCZHNATG-CYBMUJFWSA-N 292.334 3.879 30 20 CHED Cc1noc(C)c1CCSCc1ccc(F)cc1C#N 160138709 TUHJHSGBFNGFQK-UHFFFAOYSA-N 290.363 3.778 30 20 CHED C=CCSCC(=O)Nc1sc(C)c(C)c1C 173825813 KPWZNITZKIZWSG-UHFFFAOYSA-N 255.408 3.531 30 20 CHED CC[C@H](C)c1cc(C(=O)Nc2cccc(C#N)c2C)on1 178369496 NYIJAJAMAQLCBW-JTQLQIEISA-N 283.331 3.621 30 20 CHED CC[C@H](C#N)Sc1cc(Br)ccc1OC 127756653 XBEQEXHAAPASEZ-SECBINFHSA-N 286.194 3.852 30 20 CHED N#Cc1ccc(-c2cccc(CNc3cnccn3)c2)s1 301390504 ZEVSREOVPSVQGN-UHFFFAOYSA-N 292.367 3.689 30 20 CHED CC(C)OCc1ccc(NCc2ccc(C#N)o2)cc1 177556091 PKJAGOCXLGYMAX-UHFFFAOYSA-N 270.332 3.688 30 20 CHED N#Cc1ccc(NC[C@H](c2ccccc2)C(F)(F)F)cn1 302521115 YYJHVPAWBFYCJZ-CQSZACIVSA-N 291.276 3.711 30 20 CHED C=C[C@H](CC(=O)NCCCOCC(C)C)c1ccccc1 124957010 NZOHQMWZHKXLQC-MRXNPFEDSA-N 289.419 3.525 30 20 CHED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CC2CCCCC2)c1 127516839 OQIJTJKBFKSLIP-INIZCTEOSA-N 298.386 3.613 30 20 CHED CC(C)CC(=O)Nc1ccc(Nc2cccc(C#N)n2)cc1 301810094 BFSCOPQMQFWMLQ-UHFFFAOYSA-N 294.358 3.681 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCSc2ccccc21 185027960 WRXQJIXARLDSQZ-CQSZACIVSA-N 273.401 3.533 30 20 CHED CCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(C)c1 185722785 FILNOHRSNWLURL-KGLIPLIRSA-N 258.365 3.888 30 20 CHED Cc1ccc(Cl)cc1C(=O)[C@H](C#N)c1ccccn1 126066338 HOGMESWABPSQCY-CYBMUJFWSA-N 270.719 3.534 30 20 CHED CCc1ccc([C@@H](C)NCc2ccc(C#N)cc2OC)cc1 181459771 YUYRHFNVETZCBK-CQSZACIVSA-N 294.398 3.980 30 20 CHED N#Cc1ccc(NCc2ccc(F)cc2C(F)(F)F)nc1 71954320 PLLXZFXDKLXYBS-UHFFFAOYSA-N 295.239 3.723 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cccc(-c2csc(C)n2)c1 79861671 DCJMXIGDPDIUQB-MRXNPFEDSA-N 299.399 3.541 30 20 CHED C[C@@H](CN[C@H](C)c1cccc(C#N)c1)Oc1ccccc1 181965554 GEFIIWAOKPOCME-LSDHHAIUSA-N 280.371 3.676 30 20 CHED CCCC(=O)Nc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 185781827 XIAUJRUZYZTQCA-GOEBONIOSA-N 299.418 3.597 30 20 CHED COC[C@H](C#N)Nc1cc(Cl)ccc1SC(C)C 181334126 YZRNNOUXKYKRBC-NSHDSACASA-N 284.812 3.791 30 20 CHED N#CCCCN1CCCC[C@H]1c1nc2ccccc2o1 363865092 XKVQHZIJBITTQZ-AWEZNQCLSA-N 269.348 3.659 30 20 CHED CC(C)(C)[C@H](NC(=O)NCC1(C#N)CCC1)c1ccccc1 419421123 LEOOZSFEDHGMRW-OAHLLOKOSA-N 299.418 3.767 30 20 CHED CC(C)CNc1nnc(SCCC(C)(C)C#N)s1 123883012 GVPDMTUMTDLISL-UHFFFAOYSA-N 284.454 3.638 30 20 CHED CCC(C)(C)CC(=O)Nc1nc(C)c(SCC#N)s1 73061838 OGKQSVVZQCXKKS-UHFFFAOYSA-N 297.449 3.832 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2ncc[nH]2)c1 188244341 VSBVZFZKJDQTDX-INIZCTEOSA-N 269.348 3.618 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 185623900 WEGGAGKYIFQBAT-CVEARBPZSA-N 283.415 3.749 30 20 CHED C=C(C)CN(CC)Cc1conc1Cc1ccccc1 506880949 LUBIFKGBNLYTJS-UHFFFAOYSA-N 270.376 3.663 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccc(C(F)F)cc1 185535605 DMENKWLYDXHKTN-INIZCTEOSA-N 264.724 3.625 30 20 CHED C=CCCC(=O)N1CCCSc2cc(C)ccc21 187209527 VVTUQSUJHVSJJX-UHFFFAOYSA-N 261.390 3.790 30 20 CHED C[C@@H](Oc1ccc(F)c(F)c1)c1cccc(C#N)c1 189816353 GFPMKNSJVSAYGR-SNVBAGLBSA-N 259.255 3.976 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3ccccn23)cc1C 133158939 XFXNNPVLCAUSPU-CMDGGOBGSA-N 276.339 3.847 30 20 CHED N#Cc1cccc(CSCCOCC2CCC2)c1F 419649784 QQFGHZGUJSRFCL-UHFFFAOYSA-N 279.380 3.747 30 20 CHED OC(=Nc1nncn1C1CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 329106492 HMIUOXFNGGZVGN-JHJVBQTASA-N 288.395 3.808 30 20 CHED CC[C@@H](C(=O)N(CC#N)C1CCCC1)c1ccc(F)cc1 415202635 OUPFYCKWVLIPMP-MRXNPFEDSA-N 288.366 3.614 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 508766031 VUGKYEQRQVQBGA-HZPDHXFCSA-N 284.403 3.769 30 20 CHED Cc1nnc(N=C(O)C(C2CCC2)C2CCC2)s1 328989966 HZKUZCUNLPVNEV-UHFFFAOYSA-N 265.382 3.651 30 20 CHED C=C(C)CCNc1cc(OC)c(Cl)c(OC)c1 417050742 LKMRHLMANWLSFP-UHFFFAOYSA-N 255.745 3.735 30 20 CHED C=C(C)CCN1CCC(c2cccc(OC)c2)CC1 509294758 PNZJZIVJMFGRDX-UHFFFAOYSA-N 259.393 3.841 30 20 CHED CCO[C@@H](C/N=C/c1ccccc1O)c1ccccc1 194515871 UGKLWDYMBCDZDS-BOFQVRIASA-N 269.344 3.589 30 20 CHED C=CCCCC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 412401789 YECXPSFJWWEJSB-UHFFFAOYSA-N 297.320 3.988 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H](Oc3ccccc3)C2)CC1 412702812 BZWCFNCNVBJQEZ-KRWDZBQOSA-N 299.414 3.803 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)C1CCC(F)(F)CC1 501549743 DFKBVBCVJHFYGY-GFCCVEGCSA-N 288.382 3.951 30 20 CHED N#CC1(C(=O)Nc2ccc(-c3ccccc3)cc2)CCC1 83794837 PTPPBHGVXJDLCG-UHFFFAOYSA-N 276.339 3.986 30 20 CHED Cc1cc(NCc2cc(C#N)n(C)c2)c2cccnc2c1C 191440980 TZSNSJGQINPWRC-UHFFFAOYSA-N 290.370 3.674 30 20 CHED C[C@H](NCc1c(F)cccc1F)c1cccc(C#N)c1 611438647 UBCYQQHPBQPLNP-NSHDSACASA-N 272.298 3.687 30 20 CHED C[C@@H](NCc1ccc2ncccc2c1)c1ccc(C#N)cc1 192940652 WDBBTCUTNNYYFA-CQSZACIVSA-N 287.366 3.957 30 20 CHED Cc1cccc(NC(=O)N2CCc3ccc(C#N)cc32)c1C 426077840 FVSPSPYDLDZBDL-UHFFFAOYSA-N 291.354 3.770 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)CC(F)(F)F 43073275 SXZACXIMMWKHEO-UHFFFAOYSA-N 297.729 3.869 30 20 CHED CC1(C)CN(Cc2ccccc2C#N)Cc2ccccc2O1 519554975 DRECTAASWDIHIV-UHFFFAOYSA-N 292.382 3.731 30 20 CHED C=CCCN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 132399633 NKYARHHEQJYLTH-UHFFFAOYSA-N 297.345 3.837 30 20 CHED CC1=C(/C(O)=N/Cc2ccnc(OC(C)C)c2)CCC1 328660065 URWXYCXNINIGBK-UHFFFAOYSA-N 274.364 3.826 30 20 CHED N#Cc1cccnc1Oc1ccc(Oc2ccccc2)nc1 428667759 XBTPMWQXPQZGBW-UHFFFAOYSA-N 289.294 3.933 30 20 CHED C=CCC[C@@H](C(=O)NC1CC(C)C1)c1ccccc1 427235434 WILJGAZXJIUHBC-AVVWSFFYSA-N 257.377 3.651 30 20 CHED C=C[C@@H]1CCCCN1Cc1ncc(C(C)C)s1 426557267 FBGJZEVQWRMAOF-GFCCVEGCSA-N 250.411 3.807 30 20 CHED COCc1cccc(CNc2ccc(CC#N)cc2)c1 88553411 PXTPMXHOLKTHEI-UHFFFAOYSA-N 266.344 3.511 30 20 CHED C=CCCCCCNc1ccc(F)c(C(=O)N(C)C)c1 195450502 JOKXLXXQADGANO-UHFFFAOYSA-N 278.371 3.686 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cc(F)ccc1OC 46986114 ABNVFLWOKBHNDS-LBPRGKRZSA-N 294.370 3.503 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC(F)(F)F)c1 424317279 BRIUSKCMOHFDRX-NTZNESFSSA-N 298.308 3.928 30 20 CHED C=CCCO[C@H](C)C(=O)N(Cc1ccccc1)[C@H](C)CC 194392687 UHSQTVCSGJHFAH-HZPDHXFCSA-N 289.419 3.795 30 20 CHED Cc1cc(OCCC[C@H](C)NC[C@H](C)C#N)ccc1Cl 515389579 IQHCWCIRWWTNQS-OCCSQVGLSA-N 294.826 3.945 30 20 CHED C=CCC[C@H](NC[C@H]1CC[C@H](CN)CC1)c1ccco1 423428823 RVFFGEULQVRBAO-JYJNAYRXSA-N 276.424 3.642 30 20 CHED CCCCCCCC[S@](=O)Cc1cn2ccccc2n1 190818046 GJQVSLOHLVXIEM-FQEVSTJZSA-N 292.448 3.944 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N[C@@](C)(C#N)C(C)C 424633733 WTOHGJZBDSNHHK-YJBOKZPZSA-N 286.419 3.618 30 20 CHED CC(C)N(C(=O)[C@H](C)Sc1ccc(C#N)cc1)C(C)C 337913067 LDHWRJMRTFSFAF-ZDUSSCGKSA-N 290.432 3.684 30 20 CHED Cc1nc(C/N=C(/O)c2occc2C(C)C)sc1C 330470539 MRYAQCIMVLOLSX-UHFFFAOYSA-N 278.377 3.981 30 20 CHED N#Cc1c(N[C@@H]2CCc3ccc(F)cc32)ncc2c1CCC2 519642623 SBYBQHGOZZMBIN-QGZVFWFLSA-N 293.345 3.680 30 20 CHED CSc1ccsc1C(=O)Nc1ccc(CC#N)cc1 337259148 VJLVAFOXWGKKBW-UHFFFAOYSA-N 288.397 3.788 30 20 CHED CC1(C)CCC[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 333262754 BENFZXOQBKEDFP-CXAGYDPISA-N 274.408 3.545 30 20 CHED N#Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)cc1 145138700 UVJJBMPNAIDXEE-UHFFFAOYSA-N 294.329 3.507 30 20 CHED C[C@@H](c1nc2ccccc2o1)N1CCC(CC#N)CC1 334154100 QJDFHRTUMFWNIR-LBPRGKRZSA-N 269.348 3.514 30 20 CHED N#Cc1c(N[C@H]2CCc3ccc(F)cc32)ncc2c1CCC2 519642620 SBYBQHGOZZMBIN-KRWDZBQOSA-N 293.345 3.680 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)c1sccc1C1CC1)CC2 334388513 QQOOSUPWAQZUCJ-UHFFFAOYSA-N 294.379 3.700 30 20 CHED C[C@H](Cc1cccs1)N(C)CCC(C)(C)C#N 93268084 WZDFHSUSUJVZDP-GFCCVEGCSA-N 250.411 3.551 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1O 96765419 GNIRLNJMEVZYCW-KXFIGUGUSA-N 290.265 3.575 30 20 CHED CN(Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 437433847 OUNXZMPVIISIAF-UHFFFAOYSA-N 288.297 3.796 30 20 CHED Cc1ccc2c(N[C@H](C)c3ccc(C#N)cc3)ccnc2n1 435493232 QOQBNSVLNJWQRW-CYBMUJFWSA-N 288.354 3.983 30 20 CHED C=CCCN[C@H](C)c1ccc(OC(C)C)c(OC)c1 338564987 UYYLFUNUHZPIFH-CYBMUJFWSA-N 263.381 3.709 30 20 CHED CCN(Cc1cccc(F)c1)Cc1cccc(C#N)c1 248243014 IBJBSSOYBWJZKU-UHFFFAOYSA-N 268.335 3.719 30 20 CHED C=CC[C@H](C)Nc1nccc(Oc2ccccc2)n1 432836364 TWYFILZILJGLRH-LBPRGKRZSA-N 255.321 3.645 30 20 CHED CN(CC(C)(C)C#N)[C@@H]1CCc2ccc(Cl)cc21 433290403 SKXHIMPPFYJENA-CQSZACIVSA-N 262.784 3.809 30 20 CHED C[C@@H]1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 437068829 KZWGWAQVEXTFJY-ISTRZQFTSA-N 254.377 3.714 30 20 CHED CC1(C)Cc2occc2[C@@H](NCC2(CC#N)CC2)C1 430735537 REGJZDDSYXXGSW-ZDUSSCGKSA-N 258.365 3.577 30 20 CHED N#Cc1ccc(CN(Cc2cccnc2)C2CC2)c(Cl)c1 439425881 ADWKMJMZKBKRJE-UHFFFAOYSA-N 297.789 3.771 30 20 CHED Cc1ccnc(N(Cc2cccc(F)c2)C2CC2)c1C#N 343438924 NRZWRVSZYYUQKW-UHFFFAOYSA-N 281.334 3.570 30 20 CHED C=CCN(Cc1cscc1Br)C1CC1 348262540 PMMOINXQWRCJON-UHFFFAOYSA-N 272.211 3.661 30 20 CHED C=CCC[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 435302302 LWTWYCKDOHYRMU-SFHVURJKSA-N 290.366 3.996 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(OC2CCC2)cc1Cl 340241437 CWPDRXRDHUXLKR-SNVBAGLBSA-N 279.767 3.576 30 20 CHED C=CCN(CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 521220919 WFLILHUWMNPLHZ-LBPRGKRZSA-N 287.325 3.901 30 20 CHED CCC(CC)[C@@H](C)C(=O)NCC(C)(C)CCC#N 345893726 WRGJBVXSIBGDKP-GFCCVEGCSA-N 252.402 3.505 30 20 CHED C[C@@H](CCC#N)CN1CCC(N(C)c2ccccc2)CC1 602452259 IADUBZXQVRETJH-INIZCTEOSA-N 285.435 3.527 30 20 CHED CC(C)Oc1ccc(CCNC[C@H](C)CCC#N)cc1 602500786 BBGCISIBUSFUPO-OAHLLOKOSA-N 274.408 3.546 30 20 CHED C/C=C/c1ccc(NCc2cc(C#N)n(C)c2)cc1 342312357 WWSDEJHOQVJADP-ONEGZZNKSA-N 251.333 3.542 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(Cc2ccccc2)CC1 604900978 NGMDZIHVNCDQML-HNNXBMFYSA-N 286.419 3.615 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(-c2cc[nH]n2)s1 432176805 KDGCILZLKMBBIX-LLVKDONJSA-N 289.404 3.613 30 20 CHED CN(C(=O)C1CCC=CCC1)c1cc(Cl)ccc1C#N 602287754 OTBAJTHAMFZSOP-UHFFFAOYSA-N 288.778 3.921 30 20 CHED Cc1cc(C)c(C(=O)N[C@](C)(C#N)C2CCCCC2)s1 601180685 SLDBLAAWIBMOBC-MRXNPFEDSA-N 290.432 3.957 30 20 CHED O=C1/C(=C\c2cccc(O)c2)Cc2cc(Cl)ccc21 255047168 ZQASIPDFBAAIPU-SDQBBNPISA-N 270.715 3.868 30 20 CHED N#Cc1cccc(CN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 602648909 POGRGZOMZOFFAG-ZBFHGGJFSA-N 295.361 3.518 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)O1 252101090 IKBIBYSIOPWISF-DDFAGTSDSA-N 298.308 3.945 30 20 CHED CCc1ccc([C@H]2CN(C[C@@H](C)CCC#N)CCO2)cc1 602635874 VISPCJRIGQEGBS-MAUKXSAKSA-N 286.419 3.562 30 20 CHED C=CCC1(C(=O)N[C@@H](C)C[C@@H]2CCCO2)CCCCC1 448873207 XOZAVGWJCNWDJU-GJZGRUSLSA-N 279.424 3.587 30 20 CHED C/C=C(/C)C(=O)[C@H](C#N)C(=O)Nc1ccc(CCCC)cc1 255777929 XLAUZXBWCLHYFA-VGEAAAHDSA-N 298.386 3.643 30 20 CHED CC1(C#N)CCC(N[C@H]2C[C@H]2Cc2ccccc2)CC1 449153767 KWGWDLPSMGTJLS-ZLZJIPBDSA-N 268.404 3.680 30 20 CHED C[C@H](CCC#N)CNCC1(c2ccccc2)CCC1 602508401 BWKPVMABXUBVQA-OAHLLOKOSA-N 256.393 3.638 30 20 CHED CC1(C#N)CCC(NCCc2c[nH]c3cc(F)ccc23)CC1 449108550 RSWMRXXUVQVTFG-UHFFFAOYSA-N 299.393 3.912 30 20 CHED Cc1ccc([C@H](CNC[C@H](C)CCC#N)N2CCCC2)cc1 602533023 MXQOQEXRXXAXLY-MJGOQNOKSA-N 299.462 3.661 30 20 CHED CC1(C)CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 354376912 JVEWOMHNLYDCGD-LLVKDONJSA-N 276.767 3.520 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)cc1 609034397 TYRRCXMTWDJQDR-NVXWUHKLSA-N 284.403 3.893 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1 448558220 NHXUNONVOQLLKI-UHFFFAOYSA-N 257.255 3.856 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccccc1C(F)F 602349062 QKFFFZJFSUQTMN-UHFFFAOYSA-N 266.291 3.893 30 20 CHED C=CCC1(NCc2cccc(O)c2OC)CCCCC1 449576334 RTISIFLAWKAVCX-UHFFFAOYSA-N 275.392 3.769 30 20 CHED C=CCCSCCC(=O)Nc1ccccc1OCC 268732215 MPYOAZLVUFCBEF-UHFFFAOYSA-N 279.405 3.723 30 20 CHED N#CCCN(Cc1cccnc1)Cc1ccccc1C1CC1 611249884 LFKYYKDSHPYCOS-UHFFFAOYSA-N 291.398 3.875 30 20 CHED N#CCC[C@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ccccc1 359889455 YZOCRRNCHUQPTA-KBPBESRZSA-N 292.329 3.583 30 20 CHED COc1ccc(C[C@@H](C)CN(C)CCC(C)(C)C#N)cc1 538514740 PQYPIPGIRCNIHU-OAHLLOKOSA-N 288.435 3.745 30 20 CHED COc1cccc([C@H]2C[C@H](N[C@@H]3CCC[C@H](C#N)C3)C2)c1 449617321 HBFGJDCZZVNMGL-LLLHUVSDSA-N 284.403 3.613 30 20 CHED CC(C)(C#N)c1ccc(CN2C[C@H]3CCC[C@H]3C2)cc1 614171194 FJPIUSZCVYRTCK-IYBDPMFKSA-N 268.404 3.720 30 20 CHED CS[C@@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 264555984 PUQUUDNSFJAQAJ-QWRGUYRKSA-N 294.445 3.628 30 20 CHED CCCNC(=O)c1ccccc1NCCCC(C)(C)C#N 610780334 OOFZWEPFBDJZEW-UHFFFAOYSA-N 287.407 3.568 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cccc(C#N)c1 530725451 PWBCGLBXPVYTEA-BEFAXECRSA-N 276.383 3.936 30 20 CHED C=CCC1(C(=O)N2CCc3cc(OC)ccc3C2)CCCC1 618801547 BFIFDSFXOMZRJU-UHFFFAOYSA-N 299.414 3.716 30 20 CHED C=CCC1(NC(=O)c2ccc(F)cc2F)CCCC1 619105324 CAEXVPGOWBWPBZ-UHFFFAOYSA-N 265.303 3.584 30 20 CHED CC(C)(C)Oc1cccc(CN(CC#N)C2CCCC2)n1 351685972 OORNNRVDYWGWPF-UHFFFAOYSA-N 287.407 3.527 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccnc(Oc3ccccc3)c2)C1 619671992 GYGNLEHGBUOFIN-GOEBONIOSA-N 293.370 3.656 30 20 CHED C[C@H]1CCC[C@@H]1Nc1c(C#N)cnc2c(F)cc(F)cc12 352323837 DCQOMACMTHQMGX-XPTSAGLGSA-N 287.313 3.985 30 20 CHED C=C(C)CNC(=O)C1(c2ccc(OC)cc2)CC2(CCC2)C1 354844059 ITLFMUGODJZHPW-UHFFFAOYSA-N 299.414 3.589 30 20 CHED Cc1nnc([C@H](C)Sc2ccc(Cl)cc2C#N)o1 610654931 IXMNPSIXBNMCAI-ZETCQYMHSA-N 279.752 3.756 30 20 CHED CCCCCOc1ccc(CN2CC[C@@](F)(C#N)C2)cc1 615651438 JPHNIJOFQSACDC-QGZVFWFLSA-N 290.382 3.693 30 20 CHED CS[C@@H]1CCN(c2c(C#N)cnc3c(C)cc(C)cc23)C1 450688282 YIGIZTGJJVRWEQ-CQSZACIVSA-N 297.427 3.665 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 456520635 YURHRDRHUMSSPQ-IIDMSEBBSA-N 287.403 3.660 30 20 CHED C=C(C)CCNC(=O)CCCSc1ccc(OC)cc1 452717569 MADTTYKPQCZCTF-UHFFFAOYSA-N 293.432 3.650 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCC(C)(C)C=C 458983346 CWNBYALNCJXPJB-UHFFFAOYSA-N 290.382 3.736 30 20 CHED CC[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)C1 610677900 AIQQYAZDSATCOM-SNVBAGLBSA-N 287.313 3.621 30 20 CHED CC(C)Cn1cc(N[C@@H]2CCCc3cc(C#N)ccc32)cn1 611476792 XNYXKELXBUKNMG-GOSISDBHSA-N 294.402 3.900 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCc3ccc(OC)cc32)C1 617780520 WQQKNDGEKBMCHK-PBHICJAKSA-N 299.414 3.540 30 20 CHED C[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@](F)(C#N)C1 615646883 WXOZAKVIQAKCHH-TVQRCGJNSA-N 287.165 3.992 30 20 CHED CCCCCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 363572641 HMLFFSQQLSEYTB-DLBZAZTESA-N 284.403 3.865 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1COC(C)(C)C 361458335 YLJWUAZPCKHQSL-UHFFFAOYSA-N 287.403 3.816 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cccc(COC)c2)no1 273704356 GXNGEKXWWYDBTN-GFCCVEGCSA-N 288.347 3.537 30 20 CHED Cc1ncccc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 362651981 QWFHSSHZKQCOFT-MOPGFXCFSA-N 291.398 3.662 30 20 CHED CC(C)Oc1ccc(NC[C@@H]2CCSC2)cc1C#N 278671683 NJDVNOUJKLUXIO-LBPRGKRZSA-N 276.405 3.510 30 20 CHED Cc1cc([C@H](C)NC(=O)c2ccc(CC#N)cc2)c(C)s1 270207166 DIPNXUAGVPZYQB-LBPRGKRZSA-N 298.411 3.922 30 20 CHED CC(C)CCN(CCC#N)c1ccnc(C(C)(C)C)n1 610930065 DCHJUXQTJMDYKE-UHFFFAOYSA-N 274.412 3.540 30 20 CHED CC(C)c1ncsc1NC(=O)c1ccc(CC#N)cc1 456445771 YZLQDGCDHWLTDL-UHFFFAOYSA-N 285.372 3.585 30 20 CHED CC(C)CCCCC(=O)NCc1ccc(C#N)c(F)c1 457847145 PWBWWAHBGNAJJK-UHFFFAOYSA-N 276.355 3.530 30 20 CHED CC(C)c1ccc(/C=N/OCc2ccc(F)cn2)cc1 276107072 UZOWXJPFHIRVLR-DJKKODMXSA-N 272.323 3.895 30 20 CHED C=CCC[C@@H](NCCc1cccc(F)c1F)C1CC1 540177688 IUJMVYCDWQNDBE-OAHLLOKOSA-N 265.347 3.842 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2n[nH]c(/C=C/c3ccccc3)n2)C1 450800440 YFRFQYJXKQBRDR-BIYBCCJYSA-N 296.399 3.759 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)s1 271906781 CEGBHFAYBIEOND-NSHDSACASA-N 274.364 3.918 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](C)c1c(F)cccc1F 455307050 HTGCFVCBZXEHRK-LLVKDONJSA-N 282.334 3.633 30 20 CHED C=C(C)COCCN[C@@H]1CCc2c(Cl)cccc21 540155536 AUIVGHPEJABLQZ-OAHLLOKOSA-N 265.784 3.510 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC(C)(C)C)cc1 453364908 QMAHAMNBYFJUKW-XKQJLSEDSA-N 289.419 3.858 30 20 CHED C=CCC1(c2nc(-c3ccc(C)nc3)no2)CCCC1 453090931 LFTMQNNAHAUGHR-UHFFFAOYSA-N 269.348 3.828 30 20 CHED C=CC[C@H](C(=O)N[C@@H](CC)C(F)F)c1ccccc1 452265470 PFLVEFVBCSPZFB-STQMWFEESA-N 267.319 3.506 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1ccccc1F)C(C)(C)C 622944612 ZDMLGUGKVSMZSM-CYBMUJFWSA-N 277.383 3.817 30 20 CHED N#CCCCCN[C@H](CCc1ccccc1)C(F)F 272339972 MKJOCBBCLCKCGK-CQSZACIVSA-N 266.335 3.536 30 20 CHED C=C[C@@H](CC(=O)N1CCCc2ncccc21)c1ccccc1 270197808 CUYGCNIYRZCVRE-HNNXBMFYSA-N 292.382 3.721 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@H](C)c1cc(C)ccc1C 464753865 IYSNLIQKLZCTMR-UONOGXRCSA-N 260.381 3.580 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](OC)c1cccc(OC)c1 624031462 IZGYULBWNYPELF-NVXWUHKLSA-N 277.408 3.717 30 20 CHED C=CC[C@H](CC)N[C@@H]1Cc2[nH]c3ccccc3c2C1 282258170 JUDGFPLOWSGBFG-STQMWFEESA-N 254.377 3.579 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(-c2cccs2)on1 540621225 AGZAFWILQITOLC-NSHDSACASA-N 290.388 3.878 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](c2ccco2)C1 377726325 XIXKVIIRODBKBZ-CJNGLKHVSA-N 266.344 3.702 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 468024868 CVSCKZUPHNUUHR-SQWLQELKSA-N 251.414 3.920 30 20 CHED CCC(CC)N(CC)C(=O)[C@@H](C)c1cccc(C#N)c1 464566176 LOKGBEMZYHZHEE-ZDUSSCGKSA-N 272.392 3.699 30 20 CHED C[C@@H]1CCSCCN1CC#Cc1cccc(Cl)c1 621285631 FQOJYPKXEMSHFP-CYBMUJFWSA-N 279.836 3.519 30 20 CHED CCN(Cc1ccc(C#N)cn1)[C@H](C)c1cccc(OC)c1 559284116 XSNCYEFULFKDPD-CQSZACIVSA-N 295.386 3.545 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H]1CCCc2ccccc21 466525572 GXUZSRKVMTWBTN-ZBFHGGJFSA-N 257.377 3.577 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1scnc1C 287230532 HGARQCOIKAKIFA-UHFFFAOYSA-N 295.452 3.729 30 20 CHED C=CCC[C@H](C(=O)N(CC)C[C@@H](C)OC)c1ccccc1 462873769 YTKKZSJSDKFFKB-WBVHZDCISA-N 289.419 3.620 30 20 CHED C#CCN(CC)C(=O)Nc1cc(Cl)c(Cl)cc1F 281419659 ZICPTRCJRHPNPL-UHFFFAOYSA-N 289.137 3.620 30 20 CHED C=C(C)C[C@@H](C)C(=O)N(C)c1nc2ccccc2s1 464525594 HHFXSQPHQFFCIA-LLVKDONJSA-N 274.389 3.861 30 20 CHED C=CCN(CC=C)C(=O)C(C)(C)c1ccc(Cl)cc1F 463256623 KEPSBWXKVUGAJB-UHFFFAOYSA-N 295.785 3.957 30 20 CHED C[C@H]1CCC[C@@H](C)N(Cc2ccc(F)c(C#N)c2)C1 468275272 XHXYPJRQZDARJP-QWHCGFSZSA-N 260.356 3.708 30 20 CHED C[C@H]1CCc2c(C(=O)N[C@H](C#N)C(C)(C)C)csc2C1 464712952 RJAWCMVGMQDNHV-IINYFYTJSA-N 290.432 3.541 30 20 CHED CCCC[C@@H](C)C(=O)N[C@@H](CCC#N)c1ccccc1 283513063 MNHLMKAJPHCJFP-ZBFHGGJFSA-N 272.392 3.974 30 20 CHED CCCc1ccc(C(=O)[C@H](C#N)c2ccccn2)s1 633899222 FDARLPRTEQJLFB-GFCCVEGCSA-N 270.357 3.586 30 20 CHED C=C(C)CN(C)[C@@]1(c2ccccc2)CCCCC1=O 477676445 YIARKIDLUQZEKM-QGZVFWFLSA-N 257.377 3.533 30 20 CHED C=CCCCCCCNC(=O)[C@H](c1ccccc1)N(C)C 805217828 LIIJLBRKSGLMGG-KRWDZBQOSA-N 288.435 3.542 30 20 CHED C#CCCCCC(=O)OCc1ccc2occc2c1 802853511 RRCGKGGGGRIQDG-UHFFFAOYSA-N 256.301 3.670 30 20 CHED C#C[C@@H](C)NCc1ccc(-c2ccc(F)cc2C)o1 809683545 GCCOTHUWEXCBSL-GFCCVEGCSA-N 257.308 3.505 30 20 CHED C#C[C@H](NC(=O)/C=C(/C)C1CC1)c1ccc(Cl)cc1F 804419461 NPIIVIPMEUHVEE-WWRUEGTHSA-N 291.753 3.626 30 20 CHED Cc1nsc(N2CCC(c3ccccc3)CC2)c1C#N 552905084 LWBLPTITEFQRCP-UHFFFAOYSA-N 283.400 3.707 30 20 CHED C=CCCCCNC(=O)c1cnc(-c2ccccc2)nc1C 471679262 YIAXATFWWBWKRL-UHFFFAOYSA-N 295.386 3.538 30 20 CHED C=CCCC1(C(=O)NC[C@H](C)c2ccc(C)cc2)CC1 476101024 FYNXNDXYALBZMP-HNNXBMFYSA-N 271.404 3.961 30 20 CHED C[C@H](C#N)OCCSCc1cccc(Cl)c1 801657444 KNABQSLXQQRKTQ-SNVBAGLBSA-N 255.770 3.502 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@H]1c1cccc(F)c1 644971142 MHTCKJNHIZYUOP-HNNXBMFYSA-N 290.382 3.884 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)c1ccc(N(C)C)cn1 290416327 MUXMWHSMAPYRJD-ZDUSSCGKSA-N 288.391 3.520 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1c(C)cccc1F 296881816 QLSSCIWVEYBNRU-UHFFFAOYSA-N 264.344 3.858 30 20 CHED CCOC(=O)c1ccc(OCc2ccc(CC#N)cc2)cc1 399147320 XMGYLOPCIKTRHM-UHFFFAOYSA-N 295.338 3.508 30 20 CHED C=CCCC1(C(=O)NCCc2cc3ccccc3[nH]2)CC1 476443920 RYAUZNHDLISUIZ-UHFFFAOYSA-N 282.387 3.573 30 20 CHED CC#CCN(C)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C 640773064 WROHBIAIAOGCGX-UHFFFAOYSA-N 298.308 3.809 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H]1CCN(C(C)C)C1 809735621 MKNLWZQJSOPUOP-IAGOWNOFSA-N 266.473 3.831 30 20 CHED C=CCC[C@@H](CCC)NCC(F)(F)c1cccc(OC)n1 560581158 FQEAFYUQTGNVQV-CYBMUJFWSA-N 298.377 3.907 30 20 CHED CC[C@H](C#N)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 476261254 STEPBZSWOJTYHH-MZHSRFCDSA-N 288.435 3.791 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OCC2CCCCC2)c1 803834638 MGOUWRHSVKVLGS-UHFFFAOYSA-N 277.751 3.949 30 20 CHED CCC(=CC(=O)Nc1cc(C#N)c2ccccc2n1)CC 809078642 OZXSYXKFKXSRPS-UHFFFAOYSA-N 279.343 3.791 30 20 CHED N#C[C@@]1(C(=O)Oc2cccc(Cl)c2)CC12CCCC2 297545302 PDPJNGBSJRUJFC-OAHLLOKOSA-N 275.735 3.719 30 20 CHED C=CCOCCCNC(C)(C)c1cccc(Cl)c1 470789656 MNRXHOQQVJYLSM-UHFFFAOYSA-N 267.800 3.757 30 20 CHED CC(C)(C(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1Cl 291361405 BKPDMLIIAPVGTQ-ZDUSSCGKSA-N 292.810 3.672 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C(C)(C)C 807879673 ZMFNYNDKAHVGES-STQMWFEESA-N 251.414 3.613 30 20 CHED O=C1/C(=C\c2cnccn2)CSc2ccc(Cl)cc21 809154885 HWKQWRDUXUYBDI-UITAMQMPSA-N 288.759 3.502 30 20 CHED C=CCCCC(=O)N[C@H](C)COc1c(C)cccc1C 479557450 SWPFNXHBSHDOJW-OAHLLOKOSA-N 275.392 3.543 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H]2CCCC(F)(F)C2)c1 800721400 MKQMKQYKZOIJBD-LGQZLYSRSA-N 298.289 3.545 30 20 CHED Cc1cc(NCc2cccc(OC(C)C)c2)cc(C#N)n1 804357579 KCEQSZZSISLTTF-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC[C@@H](CSC)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 809767003 DIQNKYUPYUHCCF-ZFWWWQNUSA-N 292.448 3.551 30 20 CHED C=CCCCCCCNC(=O)/C=C\c1scnc1C 805219944 BPVLMZRYSIWVJY-KTKRTIGZSA-N 278.421 3.717 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)CCC3CC3)c2c1 488090687 QXJYHJHCMWFHRT-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=CCCc1nc(C2(c3cc(F)ccc3C)CC2)no1 566824471 RVKZPABLVNLKBZ-UHFFFAOYSA-N 272.323 3.716 30 20 CHED C[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)[C@H]1C 480537272 NQIMKLUXWJOLRP-RYUDHWBXSA-N 262.784 3.832 30 20 CHED CSCCCC=NNc1ccc(C(F)(F)F)cn1 814711701 SFHZGBMZVDDDFJ-UHFFFAOYSA-N 277.315 3.641 30 20 CHED C[C@H]1C(=NNc2cccc(Cl)c2)CC[C@H]1CC(=O)O 814693336 KERPKCPEDVNUIS-ZJUUUORDSA-N 280.755 3.629 30 20 CHED COc1cccc(NN=C2CC[C@H](c3ccccc3)C2)n1 814900141 GANWSBOQXPKGSO-AWEZNQCLSA-N 281.359 3.826 30 20 CHED C[C@H]1CN(c2cc(Cl)ccc2C#N)Cc2ccccc2O1 488789655 VGGQOJIDRMSLKC-LBPRGKRZSA-N 298.773 3.999 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)CCC1CCCCC1 487007767 QXCFMQBHVYCTEF-AWEZNQCLSA-N 266.429 3.953 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCCO[C@H]1CC(C)C 480737731 VZRFXPVIPYFUGS-XHSDSOJGSA-N 253.430 3.915 30 20 CHED Cc1ccc(C=NNc2ccccc2Br)o1 812461113 HDPVXANWSPWXLJ-UHFFFAOYSA-N 279.137 3.797 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 488570597 DOMLXLIWOUONOT-SJORKVTESA-N 286.419 3.930 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCCCCC(=O)C1 813611787 DWDAUQGRUKKRMA-OAHLLOKOSA-N 279.424 3.779 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCCO[C@@H]1CC(C)C 480769697 JMRJKJJEQPZRKP-YHUYYLMFSA-N 253.430 3.770 30 20 CHED C=CC1CCN(C(=O)N[C@@H](CCC)CCCC)CC1 483976395 HAOQWMMVQIUJBF-HNNXBMFYSA-N 266.429 3.953 30 20 CHED Clc1cccc(-c2n[nH]cc2C=NOC2CCC2)c1 812236677 RPKPFVMYBRGMIU-UHFFFAOYSA-N 275.739 3.633 30 20 CHED Cc1sc2ncnc(NN=C3CCS[C@H]3C)c2c1C 814726206 KTQGHNOWURWWJY-VIFPVBQESA-N 292.433 3.601 30 20 CHED C=CCn1c(N2CCC[C@@H](CC)CC2)nnc1C(C)(C)C 573765178 VVMLHODBTDQPLG-CQSZACIVSA-N 290.455 3.778 30 20 CHED C=C(C)COC(=O)CC1(CC(=O)OCC(=C)C)CCCC1 729869385 FOIRVZLSJXRHIV-UHFFFAOYSA-N 294.391 3.566 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cscn1 571741951 KZCCFPNHXVOLAZ-UKRRQHHQSA-N 272.417 3.981 30 20 CHED Fc1ccc(C=NNCCCc2ccccc2)cc1F 729145928 HPXRWMHJUBLNRU-UHFFFAOYSA-N 274.314 3.521 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)Oc2cccc(C)c2)CC1 487235447 JWESZIKVYIUOHZ-KRWDZBQOSA-N 287.403 3.577 30 20 CHED CC1(C)CC(=NNc2ncccc2F)c2sccc2O1 814927301 HALYDDBRRCFTBU-UHFFFAOYSA-N 291.351 3.660 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1Cl 485596923 GXBDNQLHFWVEOE-LLVKDONJSA-N 264.756 3.912 30 20 CHED O=C(/C=C/c1ccc2oncc2c1)c1ccc([N+](=O)[O-])cc1 821021396 FQOZUDDAXKWHKB-LREOWRDNSA-N 294.266 3.632 30 20 CHED C[C@]1(COc2cccc(F)c2C#N)CC1(Cl)Cl 829376417 IVWDQNAENLYSMC-LLVKDONJSA-N 274.122 3.660 30 20 CHED C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(C#N)s1 494854133 RLYJWIWFSIXEOE-RAXLEYEMSA-N 296.395 3.795 30 20 CHED Cc1cccc(CNC[C@@H](C)CCC#N)c1Br 589822760 SNKGMBDOHHXUAJ-NSHDSACASA-N 295.224 3.787 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccc(F)cc1O 728432766 AMOPZNQVAAPXNI-UHFFFAOYSA-N 295.317 3.916 30 20 CHED CCNc1ccccc1CNCC1CCC(C#N)CC1 902538290 OJESDEBDXVWCCB-UHFFFAOYSA-N 271.408 3.538 30 20 CHED CCOc1ccc(-c2ccc(F)c(C[C@@H](C#N)CO)c2)cc1 904886762 GKKCFPIJQRBENJ-ZDUSSCGKSA-N 299.345 3.566 30 20 CHED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1cccs1 737445259 ZFGIGZNCGVBSHJ-PLNGDYQASA-N 288.759 3.945 30 20 CHED CCCn1nc(C)c(-c2ccc(F)cc2C#N)c1C 906171134 PGVUEAIDPPUUSW-UHFFFAOYSA-N 257.312 3.588 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2cncn2CC)cc1 901436916 CJPZKOXXIHEXCX-JXMROGBWSA-N 284.359 3.588 30 20 CHED CCn1cc(C=NNc2ccc(Cl)c(Cl)c2)cn1 732527151 KFMCEQSFZGUTFN-UHFFFAOYSA-N 283.162 3.656 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N(CC)C[C@H](C)C#N 499395074 WRNQEMZWXQDSFH-GDBMZVCRSA-N 278.440 3.991 30 20 CHED CC(C)C[C@@H](C)CC(=O)N(O)Cc1ccc(F)cc1 901374954 YABXIVVGDUSNRC-GFCCVEGCSA-N 267.344 3.616 30 20 CHED C=C(C)CNC(=O)CCc1ccc(CC(C)C)cc1 490051387 VPWMRWCBMKFMIE-UHFFFAOYSA-N 259.393 3.510 30 20 CHED COc1cccc(NC(=O)CC2(C#N)CCCCC2)c1F 832325204 NOAWXXLPRPNIQT-UHFFFAOYSA-N 290.338 3.637 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1F 731488833 RDHUGJDAYXPSCV-RUDMXATFSA-N 256.276 3.736 30 20 CHED CN(Cc1ccc(Nc2cccc(F)c2C#N)cc1)C(=O)O 737486207 RJTIIAKWGNBYIV-UHFFFAOYSA-N 299.305 3.551 30 20 CHED CSc1ccc(C)c(NC[C@@H](C#N)CCC#N)c1 580065916 CDPKPSIJMAFEHB-GFCCVEGCSA-N 259.378 3.572 30 20 CHED C#CCCCCCCOC(=O)C(C)(C)C1CCOCC1 835715324 YKWWHDQDNLKYGI-UHFFFAOYSA-N 280.408 3.566 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC[C@H](C#N)CCC#N 583867354 DERAXYDUADJZTQ-KGLIPLIRSA-N 298.415 3.936 30 20 CHED C=CCC1(C(=O)OCCCCCC(C)=O)CCCC1 838285552 VEOBQALBIHATFG-UHFFFAOYSA-N 266.381 3.816 30 20 CHED COc1ccccc1C=NOCc1c(F)cccc1F 588410676 RBGYNIODPMRLRI-UHFFFAOYSA-N 277.270 3.524 30 20 CHED CC(C)c1nc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cs1 839051028 MGVBHFOPLXXPIQ-GHMZBOCLSA-N 278.377 3.506 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)c2ccc(F)cc2Cl)n1 587981409 GMYXALRNJKSVMW-VIFPVBQESA-N 290.729 3.622 30 20 CHED C=CCC(=NNc1cccc(C(=O)O)c1)c1ccc(F)cc1 735609109 NZRAMRDDYDXDRL-UHFFFAOYSA-N 298.317 3.916 30 20 CHED C[C@](C#N)(NC(=O)C=C1CCCCC1)C1CCCCC1 734239429 CRJIZECIFPLVSL-QGZVFWFLSA-N 274.408 3.856 30 20 CHED N#CCCCCCC(=O)Nc1c(F)cc(F)cc1F 588934856 MTWUTYHJAMSDGZ-UHFFFAOYSA-N 270.254 3.516 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)O[C@@H](C)C#N)cc1 738740842 ITVQGEVDPSEGOO-OLZOCXBDSA-N 259.349 3.759 30 20 CHED C#CCOc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 730981105 DZJZFVCSZRMRII-HNNXBMFYSA-N 293.366 3.831 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccc(C(=O)O)c(F)c1 835010307 WWPXJZNESLXNOM-MNOVXSKESA-N 278.327 3.748 30 20 CHED CC(=O)Nc1cccc(C(C)=NNc2ccc(F)cc2)c1 916268279 VNJQULIMSAAGIZ-UHFFFAOYSA-N 285.322 3.620 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1cc(C)ccc1O 730147313 BJZDBZJUHBKNLL-UHFFFAOYSA-N 291.354 3.507 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(-c2nc(C)c[nH]2)cc1 912018537 MDVXBXAEMHHIRM-UHFFFAOYSA-N 296.374 3.654 30 20 CHED CC(CCCc1cccnc1)=NNC1CCCCC1 834971932 ICJVLLRPXYOHFM-UHFFFAOYSA-N 259.397 3.703 30 20 CHED C#CCCCNC(=O)/C=C\c1cccc(OC2CCCC2)c1 742786225 RRDSRHFBAFQUAK-SEYXRHQNSA-N 297.398 3.551 30 20 CHED C=CCCCC(=O)O[C@H](C)c1ccc(F)cc1F 748226183 MOAXRJGXENESRD-SNVBAGLBSA-N 254.276 3.925 30 20 CHED CCO[C@H]1CC(=NNc2cccc(C)c2)C12CCC2 741160427 OYMCTFRARIJPQR-HNNXBMFYSA-N 258.365 3.742 30 20 CHED CCCCCCCCOCC(=O)N1C[C@@H](C)C[C@H]1C 741695277 UTHGDQUUWSFIIC-LSDHHAIUSA-N 269.429 3.620 30 20 CHED CC/C(=C\C(=O)NC(C)(C)C#N)c1cccc(Cl)c1 744509284 MWZFMCCKMNAUMT-PKNBQFBNSA-N 276.767 3.552 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c(F)cccc1NC(C)C 911933702 HZNBVSCVSWJAKO-LBPRGKRZSA-N 294.370 3.566 30 20 CHED CC[C@@H](C)CN(CC)C(=O)c1ccccc1SCC#N 748566754 MARABRQMHJBULO-CYBMUJFWSA-N 290.432 3.810 30 20 CHED CN(CCC(C)(C)C)C(=O)c1ccccc1SCC#N 844009334 DJFVJJUVRWEKAO-UHFFFAOYSA-N 290.432 3.810 30 20 CHED Cc1cccc(/C=C2\Oc3ccc(F)cc3C2=O)c1 749747464 ZJSXWSWJTGPAHC-NVNXTCNLSA-N 254.260 3.750 30 20 CHED C=C(C)CCOC(=O)COc1ccc(C(F)(F)F)cc1 744303692 QJXFHMSNRYSCJN-UHFFFAOYSA-N 288.265 3.594 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C(C)(C)C 592616161 AWEFJFBSFZGYIU-HWWQOWPSSA-N 264.413 3.503 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@H]1c1cc(C)cc(C)c1 742670294 BCKNUQGQXJVJAA-GOSISDBHSA-N 290.366 3.503 30 20 CHED C=C(C)CONC(=O)N[C@H](C)c1cc2ccccc2s1 845595608 NKSISTBRQFQMMW-LLVKDONJSA-N 290.388 3.769 30 20 CHED C=C(C)CCOC(=O)CCCC(=O)c1ccc(OC)cc1 744303988 IZKIGXYKOHILLQ-UHFFFAOYSA-N 290.359 3.558 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2CCSc3ccccc32)c1 741893947 CUHMOVVQCOTCJT-MRXNPFEDSA-N 293.391 3.886 30 20 CHED C=CCNC(=S)N1CCCCC[C@@H]1c1ccccc1 918726201 KYQBBAZJQUBFKL-OAHLLOKOSA-N 274.433 3.664 30 20 CHED CCc1cccc(C)c1NC(=O)N1CCC[C@@H](CC#N)C1 596626618 LUOAWBYCPGXWJJ-AWEZNQCLSA-N 285.391 3.715 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)s1 590979898 CSWPHAUJJNPANK-GBIKHYSHSA-N 274.389 3.557 30 20 CHED CC[C@@H]1OCC[C@H]1/N=C/c1c(O)ccc2ccccc12 840709951 GORIXBLMGVTTQG-PCRVIDNCSA-N 269.344 3.532 30 20 CHED COCC(CC(C)(C)C)=NNc1ccc(OC)cc1 844589616 NUSNREAPTHVYGJ-UHFFFAOYSA-N 264.369 3.546 30 20 CHED COc1cccc(/C=N\C[C@@H]2CCCCC2(F)F)c1O 840708005 TWZKPOBOYFODDG-PGQWVYTBSA-N 283.318 3.645 30 20 CHED C#CCN(C(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1)C1CCCCC1 740491354 WYRACCPPIQAEBS-ZSHCYNCHSA-N 290.451 3.789 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H](C)CCC)CCCC1(C)C 683529612 HDZOTENPWHVLTI-KBPBESRZSA-N 266.429 3.951 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Oc1cccc(OCC#N)c1 841344843 ZTGXVMIQIOTEPL-CYBMUJFWSA-N 289.375 3.957 30 20 CHED Cc1c(C(=O)N[C@@H](C)C2CCC2)sc2ccc(C#N)cc12 590036264 COEIYINBMKREJI-NSHDSACASA-N 298.411 4.000 30 20 CHED Cc1ccc(-c2n[nH]cc2CN2CCC[C@H](CC#N)C2)cc1 597175044 UXYSIZRHFBVGQN-OAHLLOKOSA-N 294.402 3.511 30 20 CHED CCCCCCCCCNC(=O)NC[C@H]1CCC[C@@H](O)C1 745343184 RRPOWLFPSWDAEI-JKSUJKDBSA-N 298.471 3.587 30 20 CHED C=CCC(CC=C)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940972 LURFIYLJFRKNIO-ZDUSSCGKSA-N 286.400 3.965 30 20 CHED CCCCCCCOC(=O)c1c(CC)noc1C 918493351 QFSOIXINOWVBMG-UHFFFAOYSA-N 253.342 3.673 30 20 CHED C=CCCN(C)c1ncc(C(F)(F)F)cc1Cl 682414582 AROASVQQSSPUCO-UHFFFAOYSA-N 264.678 3.766 30 20 CHED O=C1/C(=C\c2cccc3c2OCO3)CCc2cc(F)ccc21 747440831 VSRPCQWHPSYJHN-WQLSENKSSA-N 296.297 3.767 30 20 CHED C=CCCCCOC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F 845317322 UVNSFUHSYWSOEU-NEPJUHHUSA-N 294.313 3.634 30 20 CHED CC[C@H](C/N=C/c1cccc(OC)c1O)CC(F)(F)F 840712775 LKIOXDSWDIFUPU-NTOSSWPYSA-N 289.297 3.798 30 20 CHED Cc1ccc(CNC(=O)C#CC(C)(C)C)c2ccccc12 840493532 NASYLYMFHKWRHF-UHFFFAOYSA-N 279.383 3.814 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cc3cc(F)ccc3o2)cc1 741760275 WAIWXXGLEUXBJJ-UHFFFAOYSA-N 299.261 3.926 30 20 CHED C#C[C@@H](OC(=O)c1nc(C(C)C)oc1C)c1ccccc1 842392082 YPTSBVKAJVDKBC-CQSZACIVSA-N 283.327 3.638 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccc(C2CC2)cc1 840718324 MRHGOKBDMLODNK-BJMVGYQFSA-N 266.344 3.502 30 20 CHED C[C@@H](NN=Cc1ccc(F)c(F)c1)c1ccccc1 920386008 NGAAXAMSAOBCHA-LLVKDONJSA-N 260.287 3.650 30 20 CHED CSCC1(CC(=O)OCCC2(C#N)CCCCC2)CC1 845349105 FVPOPAPTATYVDG-UHFFFAOYSA-N 295.448 3.927 30 20 CHED CC(C)COC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccco1 924891013 UGEKPSMNYRQQPT-HUUCEWRRSA-N 292.423 3.911 30 20 CHED C=CCCCCN[C@H](C)c1cccc(Br)n1 926199251 OKXLCAZQKCXFJQ-LLVKDONJSA-N 283.213 3.851 30 20 CHED Cc1ccsc1/C=C1/COc2c(F)cccc2C1=O 921265872 DYHVTKLICOLDOV-YFHOEESVSA-N 274.316 3.854 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1CCC(F)(F)CC1 851208184 PFEWJCFUBRXGTF-SNVBAGLBSA-N 273.323 3.683 30 20 CHED CC(C)N1CCC(N(C)CCCCC2(C#N)CCC2)CC1 929470270 KKXVWTKQCCOPHY-UHFFFAOYSA-N 291.483 3.655 30 20 CHED COc1ccc(NN=C/C=C/c2ccccc2)cc1 750924891 NIGIMZJVKWWVCE-DZVXKPJGSA-N 252.317 3.806 30 20 CHED C[C@H]1CCCCN1N=C1CCC2(CCOCC2)CC1 853378811 CWHPZQMNSJAYDJ-AWEZNQCLSA-N 264.413 3.588 30 20 CHED Cc1c(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)cccc1[N+](=O)[O-] 755698541 RVABBRXDQMHWPD-AVGNSLFASA-N 271.320 3.513 30 20 CHED COc1cc(C=NOCCC(C)C)ccc1OC(F)F 754279221 LIYHVHSCCYZLIU-UHFFFAOYSA-N 287.306 3.693 30 20 CHED CC(CC(C)(C)C#N)=NNc1cccc(C(F)(F)F)n1 853309886 LGWYTRZURHIHKP-UHFFFAOYSA-N 284.285 3.828 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H]1CCc2ccc(F)cc21)OCC 756569937 LOYDYOHOCMOFBH-JKSUJKDBSA-N 292.350 3.728 30 20 CHED COc1cccc(CC(=NNc2ccc(F)cn2)C2CC2)c1 752730978 RHFOBNNFVYAYMR-UHFFFAOYSA-N 299.349 3.650 30 20 CHED O=C1/C(=C\c2cccc3c2OCO3)Cc2c(Cl)cccc21 921263644 HXVFXORMBMHFAG-XFFZJAGNSA-N 298.725 3.891 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(F)cc2O)s1 757476995 WKEREYFTXCTOOR-FNORWQNLSA-N 262.305 3.797 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(O)c(F)c2)c1 755589835 DCKZAJUGZCGTLR-VURMDHGXSA-N 286.302 3.826 30 20 CHED CC1(O)CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 758460581 KLQBGDOPKVWZMI-UHFFFAOYSA-N 298.308 3.683 30 20 CHED CCN(CCO)N=C(C)[C@@H](C)c1ccc(CC(C)C)cc1 853367039 VALWBQLORKOFSK-OAHLLOKOSA-N 290.451 3.679 30 20 CHED C=CCCOCC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 920465019 UYQWBFXMEPKQLY-CABCVRRESA-N 281.440 3.548 30 20 CHED C#C[C@](C)(CC)NCc1ccc(OCc2ccccn2)cc1 852101706 HBVSPROXLKCPIV-LJQANCHMSA-N 294.398 3.552 30 20 CHED Cc1noc(C)c1-c1nc(C#C[Si](C)(C)C)cs1 853004957 XJVZCJFXAFDWJY-UHFFFAOYSA-N 276.437 3.644 30 20 CHED CCC1(CC)CCCN(C(=O)Cc2ccccc2CC#N)C1 855821514 FGBIHIGOHUFNKX-UHFFFAOYSA-N 298.430 3.724 30 20 CHED C#C[C@H](OC(=O)[C@@](C)(F)CCCC)c1ccccc1 851035926 CKCHYWJHNNDAAA-HOCLYGCPSA-N 262.324 3.823 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1ccc(OC)c(F)c1 758371031 SHXRDFJIWLIVDU-UHFFFAOYSA-N 291.366 3.561 30 20 CHED N#CC1(CCCCN(Cc2cccnc2)C2CC2)CCC1 930112105 OHUJNHSZABEXOR-UHFFFAOYSA-N 283.419 3.910 30 20 CHED Cc1cc(F)ccc1NN=Cc1cnc2cccc(C)n12 755816208 ZJFHZSPOQPHCTQ-UHFFFAOYSA-N 282.322 3.536 30 20 CHED CC(/C=C/C(=O)c1cn(C)nc1C)=C\c1ccccc1 750913009 JRZVYLBESUMXFQ-SNMPHBPQSA-N 266.344 3.571 30 20 CHED CC[C@@H](C)N(CC)C(=O)Nc1scc(C)c1C#N 931412433 HMNBRSICWKPMCA-SNVBAGLBSA-N 265.382 3.581 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cc(C)ccc1O 768484318 NAJHMZIREKAMRP-UHFFFAOYSA-N 294.398 3.985 30 20 CHED CCn1cc(/C=C2\CCc3ccc(Cl)cc3C2=O)cn1 761205212 HWNKLRMVXMYRML-NTUHNPAUSA-N 286.762 3.769 30 20 CHED COc1cc(F)cc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)c1 762433805 IYRLJGXXUVCOCD-SDDRHHMPSA-N 262.328 3.668 30 20 CHED N#CC1(COC(=O)C(F)(F)c2cccc(Cl)c2)CCC1 768090388 CCMYBUVBHLDWIW-UHFFFAOYSA-N 299.704 3.669 30 20 CHED CO[C@@H](C)C(C)=NNc1cccc(C(F)(F)F)c1 763104762 FZBUCPDEASNXKK-VIFPVBQESA-N 260.259 3.528 30 20 CHED COc1cc(OC(=O)[C@H]2CCCC(C)(C)C2)ccc1C#N 767155978 AHAJGRBYFZJVNU-LBPRGKRZSA-N 287.359 3.689 30 20 CHED C=CC[C@H](OC(=O)c1cnn(C2CC2)c1)c1ccccc1 860676968 DIYCUTFANVJRQQ-INIZCTEOSA-N 282.343 3.692 30 20 CHED Fc1cccc2[nH]cc(C=NNc3ccc(Cl)nc3)c12 763365180 YFUOCYFQPSETGU-UHFFFAOYSA-N 288.713 3.801 30 20 CHED Cc1ccc(C=NNc2ccccc2C(F)(F)F)cn1 764884147 BYYWQZBSIGOPKP-UHFFFAOYSA-N 279.265 3.855 30 20 CHED C=C(C)COC(=O)c1cncc(-c2cccc(C)c2)c1 768675213 MQMAMEDGUNEMFQ-UHFFFAOYSA-N 267.328 3.790 30 20 CHED N#CCSCc1nnc(Cc2ccc3ccccc3c2)o1 1117239904 LTLDLMSJBNZFAR-UHFFFAOYSA-N 295.367 3.570 30 20 CHED C=CCCC(CC)=NNc1ccnc(Br)c1 769804100 PGXZMZAKPYMPJB-UHFFFAOYSA-N 282.185 3.988 30 20 CHED COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1F 1116375534 HZMGGJXUKAHTMX-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C#CCCN(Cc1ccccc1C1CC1)CC(F)(F)F 768533630 HXAVNWSSDSPEMM-UHFFFAOYSA-N 281.321 3.952 30 20 CHED CC#CCCOC(=O)c1cccc(Oc2nccs2)c1 760274049 OLIUDEXBZKDYDF-UHFFFAOYSA-N 287.340 3.506 30 20 CHED CC(C)(C)c1ccc(NN=C[C@@H]2C[C@H]2c2ccccc2)nn1 1117742799 WJYILKIFENWDIY-GJZGRUSLSA-N 294.402 3.976 30 20 CHED C=CCCCCNC(=O)c1cc(C)ccc1N1CCCC1 770082253 MYAZWLFKWIJXFC-UHFFFAOYSA-N 286.419 3.681 30 20 CHED Cc1ccc(OC(=O)Cc2ccccc2CC#N)c(C)c1 776746226 UIFBOYJMPKANQR-UHFFFAOYSA-N 279.339 3.518 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(C)cc1 777907632 YBJQNXRXUSJRCB-UHFFFAOYSA-N 259.740 3.880 30 20 CHED C=CC[C@@H](NC(=O)CCCC(F)(F)F)c1ccncc1 770735256 SGYOBHVCWUZIMP-GFCCVEGCSA-N 286.297 3.548 30 20 CHED CC(C)CC(=NNC[C@H](C)C#N)c1ccc(Cl)cc1 771112417 NOHJUZLOPSLCNQ-GFCCVEGCSA-N 277.799 3.839 30 20 CHED CCCCCCCC(=O)N[C@@H]1CC(C)(C)OC1(C)C 778133439 PAHNQFBPQHUXOL-CYBMUJFWSA-N 269.429 3.809 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCc2cocn2)cc1 777036660 MAADYQDXHSFXRR-GFCCVEGCSA-N 292.766 3.657 30 20 CHED CC(=NOC1CCCC1)c1ccc(OC(F)F)cc1 774596612 HQTGWYXMRPIVBW-UHFFFAOYSA-N 269.291 3.971 30 20 CHED N#Cc1ccc(-c2nnc(C=C3CCCCC3)o2)cc1 1117243731 YBMAVJVGIFHZCC-UHFFFAOYSA-N 265.316 3.956 30 20 CHED C#CCCCCCC(=O)Nc1cccc(OCC=C)c1 779862755 FMOSUJVHBHWTOP-UHFFFAOYSA-N 271.360 3.774 30 20 CHED Cc1cc(C=NOCCC(F)(F)F)cc2cccnc12 777459524 IYEVPWIDASJUBN-UHFFFAOYSA-N 282.265 3.846 30 20 CHED C#CCOc1ccccc1NCc1ccc(Cl)o1 775367224 ZCTUFWSLPIHRBG-UHFFFAOYSA-N 261.708 3.557 30 20 CHED Cc1cc(CNc2cccc(C#N)c2C)cnc1Cl 779598442 IQGWQLRMEYEJGR-UHFFFAOYSA-N 271.751 3.836 30 20 CHED COC(=O)c1ccccc1NN=Cc1ccc([C@@H]2C[C@H]2C)o1 776189767 SGMBRUDPTTYVBV-BXUZGUMPSA-N 298.342 3.636 30 20 CHED COC[C@H](C)NN=Cc1ccc(-c2ccc(C)cc2)s1 777894150 GBICKVZNMUANOB-ZDUSSCGKSA-N 288.416 3.682 30 20 CHED N#CCc1ccccc1C(=O)OCCCc1ccccc1 58248820 KQPHLFXDOPHYCF-UHFFFAOYSA-N 279.339 3.542 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)Oc2cc(F)ccc21 773174081 VFFMFXSUIDDTDW-AUWJEWJLSA-N 258.223 3.581 30 20 CHED CCOCCON=C(CCc1ccccc1)C(C)C 774418320 TZJFTJWCTCDDIK-UHFFFAOYSA-N 263.381 3.684 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccccn2)cc1 779824569 CUUVRWGEURUCPK-UHFFFAOYSA-N 253.349 3.825 30 20 CHED C=CC[C@H](C(=O)OCCCCC(C)=O)c1ccccc1 778427666 NPQQHGIGWGQPPV-INIZCTEOSA-N 274.360 3.649 30 20 CHED C#CC(C)(C)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 784410128 CEKAEDGTAHVULM-UHFFFAOYSA-N 291.822 3.827 30 20 CHED Cc1cc(COC(=O)C(F)=C2CCCC2)ccc1C#N 784151644 IHJBJRAHOZLCFM-UHFFFAOYSA-N 273.307 3.708 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(OC(F)F)cc1 785758881 DSRNYANRFBEAJB-HNNXBMFYSA-N 284.302 3.934 30 20 CHED C#CCC1(C(=O)N2CCS[C@H](C(C)C)C2)CCCCC1 788229208 OOOZWOXTUBSVSG-HNNXBMFYSA-N 293.476 3.560 30 20 CHED CC(C)C[C@H](C)C[C@H](C)NCc1ccc(C#N)cn1 783301711 ZXJBHEGNJUJTIC-KBPBESRZSA-N 259.397 3.504 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 784877755 LMEZRFLGXYVUIA-XHDPSFHLSA-N 277.320 3.801 30 20 CHED C=C(CNC(=O)c1ccc(CF)cc1)c1ccccc1 1129587748 MMLRLXJXEWBFMX-UHFFFAOYSA-N 269.319 3.599 30 20 CHED CC(C)(C)C1CCC(C=NNc2ncc(F)cn2)CC1 783861267 DQEINGJUPYUSDR-UHFFFAOYSA-N 278.375 3.866 30 20 CHED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3F)cc2)c1 1125979318 HOWLXHOUAIIXIW-CVEARBPZSA-N 296.301 3.647 30 20 CHED C=CCC1(c2nc(C(C)(C)COC)no2)CCCCC1 896591905 UOCVRIMPDLWOGH-UHFFFAOYSA-N 278.396 3.772 30 20 CHED C#CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782524192 QENRUDRSQJSUAK-AWEZNQCLSA-N 260.340 3.509 30 20 CHED C[C@H]1CCN(CCCSCC#N)c2ccccc21 72514848 CIEGJGUWBZHTEW-ZDUSSCGKSA-N 260.406 3.647 30 20 CHED C=C1CC(c2noc([C@H]3CCO[C@@H](CCC)C3)n2)C1 896883904 MQGKKOZUEJRXBB-AAEUAGOBSA-N 262.353 3.566 30 20 CHED CCCCCC(=O)OCc1ccc(Cl)cc1C#N 780035898 XEMRDZKEFWXFQK-UHFFFAOYSA-N 265.740 3.835 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C(C)=C(/C)CC 780037040 YBHGQGDSTGRQHR-YPKPFQOOSA-N 261.365 3.583 30 20 CHED C=C1CC(c2noc([C@@H](C)Oc3ccc(F)c(F)c3)n2)C1 896881504 IOGYGRHNRLNEBG-SECBINFHSA-N 292.285 3.921 30 20 CHED C=C1CC(c2noc(CCCOc3cccc(F)c3)n2)C1 896882522 UMYSARLPCLDCFB-UHFFFAOYSA-N 288.322 3.654 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1cccc(C)c1C 798375364 IGOIALIZUPONRJ-ZDUSSCGKSA-N 262.422 3.945 30 20 CHED C[C@@H](C=NNc1cccc(F)n1)c1ccc(F)cc1 795007862 OSKPZKIWLNCYPD-JTQLQIEISA-N 261.275 3.561 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 303804332 HJBPPWBFPTVUQL-IUODEOHRSA-N 271.364 3.649 30 20 CHED CC1(C)CCC(C(=O)N[C@H](C#N)C2CCCCC2)CC1 506512171 RSUAMINVWRBULL-OAHLLOKOSA-N 276.424 3.791 30 20 CHED N#Cc1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)cc1 38341356 LGARLSMOTYRBOE-IBGZPJMESA-N 291.398 3.635 30 20 CHED CCOc1cccc(/C=N\C[C@@H]2CCC(F)(F)C2)c1O 797398939 SDHSNVKVWLPBMH-IPHDDYSGSA-N 283.318 3.645 30 20 CHED Cc1ccc(NN=C[C@@H](c2ccccc2)C(C)C)nn1 794507753 MYFFYTJZEBWVEM-OAHLLOKOSA-N 268.364 3.623 30 20 CHED Cc1ccc(F)c([C@H](C)OC(=O)c2ccc(C#N)o2)c1 797014929 TZYKSEZONBCVKG-JTQLQIEISA-N 273.263 3.517 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 791075347 YIUUWIBCAYXLLY-ZFWWWQNUSA-N 298.386 3.937 30 20 CHED C[C@H](NN=Cc1ccc(C(F)F)cc1)C(C)(C)C 793114581 MGEUEGAVCRZWOH-JTQLQIEISA-N 254.324 3.982 30 20 CHED C=C(Cl)COc1cc(C)c([N+](=O)[O-])cc1Cl 795260753 FYUMPIRJCTUROX-UHFFFAOYSA-N 262.092 3.688 30 20 CHED CC1(C)CC(=NNc2cccc(F)n2)c2ccccc2O1 795009558 DNNWHYPPXQWXEY-UHFFFAOYSA-N 285.322 3.598 30 20 CHED CCCCSCC(=O)Nc1sc2c(c1C#N)CCC2 797726302 BMCMLPLOMWWWDP-UHFFFAOYSA-N 294.445 3.580 30 20 CHED C[C@@H](CCNc1ccc(C#N)cn1)c1ccccc1 60394046 PQXPFCOOOHQBHH-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED N#CCCN(Cc1ccco1)Cc1cccc2ccoc12 1205083156 UXUHVEJUTCWIIK-UHFFFAOYSA-N 280.327 3.942 30 20 CHED CN(C)c1ccccc1CNN=Cc1cscc1Cl 794956527 ZJGRQDCYUXHYSE-UHFFFAOYSA-N 293.823 3.591 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)CCCCC 798039324 GLLOAYFYLJOMGR-VYDXJSESSA-N 281.440 3.690 30 20 CHED COc1cccc(/C=C2/Oc3ccc(F)cc3C2=O)c1F 799894159 ZDCVAWPBZKVQSW-VGOFMYFVSA-N 288.249 3.590 30 20 CHED CCc1ccccc1NN=C(C)c1ccnc(F)c1 794895540 FSLRINOAESXEOW-UHFFFAOYSA-N 257.312 3.619 30 20 CHED Cc1cc(Cl)ncc1OCCCC1(C#N)CCOCC1 799176400 QPWUPDLZKUDELI-UHFFFAOYSA-N 294.782 3.523 30 20 CHED C=CCCCOC(=O)COc1ccc(C(C)C)cc1 735533743 YHGXDZGNHFXXIP-UHFFFAOYSA-N 262.349 3.698 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 1219113041 FCOSMNLPCACQTG-HRCADAONSA-N 297.402 3.957 30 20 CHED C#CCOc1ccc(NC(=O)c2csc(Cl)c2)cc1 786181866 GWBGJGFSCAMMEU-UHFFFAOYSA-N 291.759 3.666 30 20 CHED C[C@]1(Cc2ccccc2F)CCCN1CC1(CC#N)CC1 1307871842 IBYUKYRBVMMDQO-QGZVFWFLSA-N 286.394 3.917 30 20 CHED N#CCOc1ccc(Cn2cnc(-c3ccccc3)c2)cc1 1166822089 JICHFVVFSOOHJQ-UHFFFAOYSA-N 289.338 3.501 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1318884027 RCACOOVHHUHBBJ-HZPDHXFCSA-N 297.402 3.911 30 20 CHED Cc1cccn2cc(CSCc3cccc(C#N)c3)nc12 1319018110 WZKHRDKRVVOTOZ-UHFFFAOYSA-N 293.395 3.948 30 20 CHED Cc1nsc(NCCC2CCC(F)(F)CC2)c1C#N 1164332835 MAZXXPRJUHYBOR-UHFFFAOYSA-N 285.363 3.951 30 20 CHED CC(C)(C)ON=Cc1c(Cl)nc2cc(Cl)ccn12 1323517907 NGRFPOQTKRBZGA-UHFFFAOYSA-N 286.162 3.790 30 20 CHED CC#CCCCc1nnc(-c2cccc(Cl)c2)o1 1327324278 BSNXWNMNSYKITO-UHFFFAOYSA-N 260.724 3.736 30 20 CHED CC1(C)CCC[C@H]1c1nnc(-c2cccc(C#N)c2)o1 1329323389 HIPPVDRUSYYANE-ZDUSSCGKSA-N 267.332 3.902 30 20 CHED CCN(Cc1cccs1)C(=O)CC#Cc1ccccc1 1323857206 HCMPUTUVEALHCM-UHFFFAOYSA-N 283.396 3.538 30 20 CHED CC1(C)CC[C@@H](c2nnc(-c3cccc(C#N)c3)o2)C1 1329270733 OYDYDVMEJGEMEF-CYBMUJFWSA-N 267.332 3.902 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CC#Cc1ccccc1 1252968463 XXBJSIQOSHQCKL-NVXWUHKLSA-N 283.415 3.759 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccn1C1CC1 1325366140 JIKSPYPELXCUIO-LJQANCHMSA-N 291.398 3.862 30 20 CHED C=CCn1cnnc1S[C@@H]1CCCc2ccc(F)cc21 1253578826 CKYJQCBEWKUDNT-CQSZACIVSA-N 289.379 3.773 30 20 CHED C[C@@H](C#N)CN(C)c1cc2ccc(F)cc2c(Cl)n1 1331094652 OWBSROWBDPNIJK-VIFPVBQESA-N 277.730 3.623 30 20 CHED N#CC[C@H](OC(=O)CCCC(F)(F)F)c1ccco1 1344936373 KVCWPMHPNJUKCC-JTQLQIEISA-N 275.226 3.510 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CC(C)(C)c1ccc(F)cc1 1355087415 BRAZMALSTLDDEC-OAHLLOKOSA-N 290.382 3.644 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)CC1CCCCC1 1439677872 IKWSJHQHVQXNQS-DZGCQCFKSA-N 264.413 3.744 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2ccc(C#N)cc2F)c1C 1360280544 SSYTZWNAIFUCEH-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)cc1C#N 1525558226 VEYXMTGWSGPPOB-VHDGCEQUSA-N 284.403 3.811 30 20 CHED CSc1ccccc1N(C)C(=O)c1cccc(C#N)c1 1457139815 YFZLNZHMMGUQQS-UHFFFAOYSA-N 282.368 3.557 30 20 CHED Cc1ccc2c(c1)N(Cc1cccc(C#N)c1)C[C@H](C)O2 1459629557 SBGIIMBNUNMDMW-AWEZNQCLSA-N 278.355 3.654 30 20 CHED O=C(/C=C/c1ccoc1C(=O)O)c1cccc(Cl)c1 1601243661 KUCMCHVNRJTVDC-SNAWJCMRSA-N 276.675 3.527 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CC1CCC(C(C)(C)C)CC1 1461200397 ZIPKEGSYENUYLX-NRXISQOPSA-N 278.440 3.990 30 20 CHED O=C(O)c1csc(C(=O)/C=C\c2c(F)cccc2F)c1 1608991242 MIXMRBZCCCCCNC-PLNGDYQASA-N 294.278 3.621 30 20 CHED CCc1nnc(N[C@H]2C[C@H]2C2CCCCC2)c(C#N)c1CC 1472712001 VAIKWMDAFYGSOE-YOEHRIQHSA-N 298.434 3.854 30 20 CHED CCN(Cc1c[nH]c2ccccc12)c1cc(C)c(C#N)cn1 1612258630 QIOBWVUJJBKICY-UHFFFAOYSA-N 290.370 3.770 30 20 CHED Cc1cccc([C@@H](C)NC[C@@H](O)c2cccc(C#N)c2)c1C 1559705090 GVIQKEXCRHDKTF-DNVCBOLYSA-N 294.398 3.559 30 20 CHED COc1cc(C#N)ccc1CSc1ccccc1 154601339 PMCWDABAPFKQHF-UHFFFAOYSA-N 255.342 3.859 30 20 CHED CN(CCc1ccc(C#N)cc1)C(C)(C)c1ccccc1 1559972683 VWGPRDVIQCGIIW-UHFFFAOYSA-N 278.399 3.968 30 20 CHED C[C@@H](CC(C)(C)C)N[C@@H]1CCc2cc(C#N)ccc21 1560805506 HSCKOHZWPZOECM-BLLLJJGKSA-N 256.393 3.960 30 20 CHED C#CCC1(C(=O)Oc2ccc(NC)cc2)CCCCC1 1574525271 HCAKAVXHBHGOAR-UHFFFAOYSA-N 271.360 3.608 30 20 CHED N#CC1(C(=O)Nc2cccc(SC(F)F)c2)CCC1 120017313 QKRPXBVCMKYEII-UHFFFAOYSA-N 282.315 3.634 30 20 CHED Cc1nnc(SCC2(CC#N)CC2)n1C1CCCCC1 1643389293 XEIVVEDKBYXXDU-UHFFFAOYSA-N 290.436 3.878 30 20 CHED C=C(Br)CN1CCCc2ccc(C)c(C)c21 1659025331 ROZNGFPBHVDTLQ-UHFFFAOYSA-N 280.209 3.965 30 20 CHED CCCc1nc(COc2cc(C#N)ccc2C)cs1 229947818 ZHMQNLSZIQJWQE-UHFFFAOYSA-N 272.373 3.855 30 20 CHED C=C(Cl)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2 1678166977 TXEMTUAQZZYUAD-UHFFFAOYSA-N 290.794 3.538 30 20 CHED CC(C)CCn1cccc1C=NNc1ccccc1C(=O)O 1776030389 VPAHFDZCVACWCJ-UHFFFAOYSA-N 299.374 3.678 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(C(=O)O)c(F)c2)c1 1776029598 FQWMBWQCRYOBGA-UHFFFAOYSA-N 286.306 3.587 30 20 CHED O=C(O)c1ccc(NN=C2C[C@@H]3CCCC[C@H]3C2)cc1F 1776076753 FGQBDMUBQZXAJM-QWRGUYRKSA-N 290.338 3.892 30 20 CHED Cc1cc2[nH]c(C=NNc3ccc(C(=O)O)cc3)cc2s1 1776013561 FPTQJRCVRKYYDE-UHFFFAOYSA-N 299.355 3.682 30 20 CHED C=CC[C@@H](CNc1nc(C)ccc1C(=O)O)c1ccccc1 1776151968 TZOPTILGELZRHK-HNNXBMFYSA-N 296.370 3.860 30 20 CHED Cc1ccc(C=NNc2ccc(Cl)cc2)cc1C(=O)O 1776032599 CEHMSJXSUZOOIP-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C=CCC[C@H](NCc1ccc([C@@H](C)CC)cc1)C(=O)O 1776168525 HYAXIGJGIJFLLQ-BBRMVZONSA-N 275.392 3.709 30 20 CHED C=CCNc1nc(-c2ccc(C)cc2OC)cs1 14102664 IZODYTWCPKZWEE-UHFFFAOYSA-N 260.362 3.725 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H](N2CCCC2)CC1 150749279 ZRWCTYRJLXRUCB-QGZVFWFLSA-N 294.483 3.824 30 20 CHED Cc1ccc(Cl)c(NC(=O)CNc2ccc(C#N)cc2)c1 162223486 XPFDKXNWTLRPEW-UHFFFAOYSA-N 299.761 3.571 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(F)c(SC)c(F)c1 162613798 JVRPZZZXKUGURX-MRVPVSSYSA-N 299.346 3.500 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1 205667309 NLMOWSFHLOOHSU-HJWRWDBZSA-N 251.260 3.593 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(C)c(C)o2)s1 151355435 YSVONGFHCLDVEG-UHFFFAOYSA-N 274.345 3.644 30 20 CHED C=CCCSCC(=O)N[C@@H](C)c1ccc(CC)cc1 151995331 ZAMOGBWCMDTPJN-ZDUSSCGKSA-N 277.433 3.736 30 20 CHED Cc1ccc(CN(C)C)cc1NCc1cc(C#N)cs1 151998315 ABAURUMVLJMOBH-UHFFFAOYSA-N 285.416 3.602 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1 155974960 NLVWCOZNCZFKDC-CJNGLKHVSA-N 270.376 3.599 30 20 CHED N#CCN(Cc1ncc(-c2ccccc2)o1)C1CCCC1 156764230 RKHFWGVWQOEGAX-UHFFFAOYSA-N 281.359 3.610 30 20 CHED CCn1c(NCc2cc(C#N)cs2)nc2cc(C)ccc21 159030362 IDWWBCIVPIEHPO-UHFFFAOYSA-N 296.399 3.910 30 20 CHED C/C(=C/c1ccccc1)CN(CCC#N)Cc1cccnc1 159053260 AKZCEMFSIAZICS-LGMDPLHJSA-N 291.398 3.901 30 20 CHED Cc1ccc(OCc2ccc(C#N)cc2F)c(C)c1 19804830 FRQSCHIOWHVFAW-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C[C@@H](NC[C@H](C)C(C)(C)C)c1ccc(OCC#N)cc1 125231899 QDWZBYYXKAFTBW-UONOGXRCSA-N 274.408 3.922 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(C(C)C)c2)C1 125731778 BSQPMXBQCFWQPU-UHFFFAOYSA-N 256.349 3.688 30 20 CHED N#Cc1cccc(NC(=O)NCC2CCCCCC2)c1 1202792212 NARWCUGNAQQROX-UHFFFAOYSA-N 271.364 3.650 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)c1ccn(C)n1 839190889 KQWJMAAIAGLCFE-UONOGXRCSA-N 251.418 3.820 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(F)cc1 42321124 HDXGWRFBKDWWQC-LLVKDONJSA-N 272.298 3.687 30 20 CHED Cc1ccccc1[C@@H](C)NCc1ccc(C#N)cc1F 42335687 DORNYQOFSXEAAE-CYBMUJFWSA-N 268.335 3.857 30 20 CHED CC(C)=CCCN[C@H](C)c1ccc(OCC#N)cc1 276602666 BKWUWHNFOGHVQH-CQSZACIVSA-N 258.365 3.596 30 20 CHED C=CCCC[C@H](C)NC(=O)c1nc(C(C)C)ncc1Cl 179797681 ORJMMQQHINYXRA-NSHDSACASA-N 295.814 3.728 30 20 CHED CCCc1cc(C(=O)Nc2ccncc2C#N)sc1C 344426470 INRAYUYMLDOUFC-UHFFFAOYSA-N 285.372 3.528 30 20 CHED Cc1ccoc1CN(C)Cc1ccc(C#N)cc1Cl 311779055 HREQVQHSUBMECT-UHFFFAOYSA-N 274.751 3.745 30 20 CHED CCOC1(CNc2c(F)cc(C#N)cc2F)CCCC1 312386482 HWVOVTDSIHLSPP-UHFFFAOYSA-N 280.318 3.598 30 20 CHED C[C@H](Cc1ccsc1)Nc1ncc(C#N)cc1Cl 608886068 QWTDOHPAPMGTMK-SECBINFHSA-N 277.780 3.711 30 20 CHED CC#CCCCC(=O)Nc1ccc(Br)cc1 6262156 RHEIPMDENLFTSM-UHFFFAOYSA-N 280.165 3.581 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCCC1)c1ccc(C#N)cc1 175771518 QQOBFBTYMNQNRY-ZDUSSCGKSA-N 282.343 3.637 30 20 CHED CCc1ccc(CNc2ccc(CC#N)cc2)s1 51601610 LFVGNWHAWQWWBA-UHFFFAOYSA-N 256.374 3.989 30 20 CHED C[C@@H](c1nc2ccccc2s1)N(C)Cc1ccc(C#N)o1 179733208 PFHCXCRJHQCJLJ-NSHDSACASA-N 297.383 3.954 30 20 CHED C=CC[C@@H](C)NCCc1cccc(C(F)(F)F)c1 628216355 LDUPGMKLSYXDKH-LLVKDONJSA-N 257.299 3.802 30 20 CHED Cc1ccc(OCC(=O)Nc2cccc(C#N)c2C)c(C)c1 178391223 NMAMYSTVLZMZSZ-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc[nH]1 108324320 WYXOBBWJYUWKDP-LLVKDONJSA-N 285.372 3.519 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1cc(F)ccc1F 50355286 JJVIDNXTTBITNM-SNVBAGLBSA-N 287.265 3.754 30 20 CHED C#CCCCNC(=O)N[C@H](C)c1cccc(Cl)c1Cl 174116077 NDLOYOQCHMBZJP-SNVBAGLBSA-N 299.201 3.767 30 20 CHED C[C@@H](C(=O)NC1(C#N)CCCCC1)c1cc2ccccc2o1 176229130 BNMALBBKVYEKDJ-CYBMUJFWSA-N 296.370 3.879 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)nc2ccccc12 1345018429 YQBRZEDXBVSVDN-ZIAGYGMSSA-N 294.354 3.782 30 20 CHED CSc1ccc(C)c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c1 179860998 LXMBCLSFSRRVGF-VXGBXAGGSA-N 275.373 3.566 30 20 CHED N#Cc1cccc(Cl)c1NCC1(c2ccccn2)CC1 302872082 ZOUHNMKEDMLLCS-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CC/C(=C/C(=O)N[C@](C)(C#N)C(C)C)c1ccc(C)cc1 303917183 NLZJSYKTWJFTQH-VHUCWBOISA-N 284.403 3.843 30 20 CHED N#Cc1nc(Nc2ccc3[nH]ccc3c2)ccc1Cl 301511448 FGXYHYIAAMQZOL-UHFFFAOYSA-N 268.707 3.832 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1OC)C1CC1 175368388 LRHCJAGGPDZWCY-UHFFFAOYSA-N 273.376 3.543 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@@H](O)c1ccsc1 304348058 YGTSYCGUPWDIEH-LGEORROZSA-N 297.379 3.759 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1cccc(F)c1 176337501 BBVSTQWLUVRAHX-UHFFFAOYSA-N 277.343 3.619 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N(C)c1ccccc1 1340401043 ZQYVHOKSWSATMW-LBPRGKRZSA-N 288.420 3.656 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1cccc(Cl)c1 178941384 RXHXJZOXDWUKHC-BQYQJAHWSA-N 282.730 3.884 30 20 CHED N#Cc1ccc(F)c(CN[C@@H](c2cccs2)C2CC2)c1 120210510 KYZAWWOOFIXQDO-MRXNPFEDSA-N 286.375 4.000 30 20 CHED C=C(C)CCN1CCC[C@H]1c1ccc(OC)c(OC)c1 352096368 FDARICJLQYXIDO-HNNXBMFYSA-N 275.392 3.807 30 20 CHED N#Cc1ccc(SCc2cccc(OC(F)F)c2)nc1 301086602 GODGJZNQELZLBW-UHFFFAOYSA-N 292.310 3.847 30 20 CHED CCC[C@@H](C)CC(=O)Nc1sc(CC)cc1C#N 122885710 GIWRWNZSJLQDGK-SNVBAGLBSA-N 264.394 3.947 30 20 CHED CCS[C@@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 120782584 HMFKUQJJNNRIOO-OAHLLOKOSA-N 292.423 3.805 30 20 CHED Cc1ccc(CN/C(=N/C2CC2)Nc2ccccc2)cc1 303489631 XEQPVBYRFAMDTJ-UHFFFAOYSA-N 279.387 3.715 30 20 CHED N#Cc1cc(Cl)ccc1CN(Cc1ccccn1)C1CC1 187396703 YKWXGEJVSWGWHQ-UHFFFAOYSA-N 297.789 3.771 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](CC)CC1CCCCC1 183796854 BGAKMUFWPGUHAY-GJZGRUSLSA-N 264.413 3.791 30 20 CHED C=C(C)CCc1noc(Cc2cccc(OC(F)F)c2)n1 508616069 BCDRABBCFFFLDT-UHFFFAOYSA-N 294.301 3.771 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 413556794 STHOVCZAVVRLSI-ZIAGYGMSSA-N 293.455 3.830 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416713710 NWEFINGFGGVIFI-RDJZCZTQSA-N 297.402 3.590 30 20 CHED COCC[C@H](C)CNc1cc(C#N)ccc1C(F)(F)F 413488998 GKJIPTKTHQIBHZ-JTQLQIEISA-N 286.297 3.662 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 120582905 ZPFUWBGHHUZSMD-CXAGYDPISA-N 298.411 3.582 30 20 CHED C=CCSCCN[C@@H]1CSCCc2ccccc21 180458926 WBJALEBDYRVJOP-OAHLLOKOSA-N 279.474 3.526 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC1CCC(OC)CC1 414292197 BUUYTLGDXLMVSV-ADKAHSJRSA-N 273.420 3.721 30 20 CHED C=C(C)CN(C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 181270613 IXBGSVZTPQLZOI-CYBMUJFWSA-N 294.826 3.792 30 20 CHED C#CCCCCC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 124497632 FZIUFHYBJGIGNL-UHFFFAOYSA-N 295.386 3.621 30 20 CHED C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](C)[C@@H]1C 416108310 HFWGHUOIPHATKO-ANQUJSFKSA-N 284.403 3.577 30 20 CHED CCn1nccc1/C=C1\CCc2c(C)ccc(C)c2C1=O 184764056 PFEUNWPCIAIAIS-SDNWHVSQSA-N 280.371 3.732 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(F)c(Cl)c1F 410123763 QFPKFIMPIQKVBH-QMMMGPOBSA-N 273.710 3.703 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Oc2cccnc2)cc1 410124883 VLVJXZYJWUPBOU-HNNXBMFYSA-N 296.370 3.958 30 20 CHED CCOc1cccc(CNc2nc(C)cc(C)c2C#N)c1 37680015 OUQQUZXBSUGPQA-UHFFFAOYSA-N 281.359 3.581 30 20 CHED C=CCCCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187304572 DNPSAXPGUCOBET-UHFFFAOYSA-N 276.424 3.958 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(c2ncc(C#N)cc2F)C1 413287752 CENLYHVNHDBHQB-WBMJQRKESA-N 281.334 3.680 30 20 CHED CCCCCCCCOC(=O)c1ccnc(F)c1F 127444121 VLUPMAHLIVSGEK-UHFFFAOYSA-N 271.307 3.877 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cccc(F)c1F 414170657 SYPUQABPRIZWEI-JTQLQIEISA-N 252.308 3.555 30 20 CHED N#CCCSCc1csc(C2CCCC2)n1 413011979 KLXGPFSPXWPEEP-UHFFFAOYSA-N 252.408 3.948 30 20 CHED N#Cc1c(F)cccc1CSCC1(C#N)CCC1 419577613 HUCLBYLEXMCDGJ-UHFFFAOYSA-N 260.337 3.624 30 20 CHED C=CCCC(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 183238790 KFZKBHBSOFOCNO-UHFFFAOYSA-N 294.345 3.860 30 20 CHED CCN(CC)CCCC1CCN([C@H](C)CCC#N)CC1 411501150 HLCGFSWWPSXSRI-MRXNPFEDSA-N 279.472 3.513 30 20 CHED N#Cc1cnc2ccccc2c1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 320182837 RTXOTAVFCDDSKC-MGBSGCIJSA-N 289.382 3.589 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@@H](C(O)=Nc3ccccc3)C2)C1 328708129 AYWDGAILDWRLQY-BFYDXBDKSA-N 297.402 3.679 30 20 CHED O/C(=N/C[C@H]1CCCCO1)Nc1cccc2ccsc12 328782821 JTCWIJBGIMCZSN-GFCCVEGCSA-N 290.388 3.796 30 20 CHED C=CCCCCNC(=O)[C@H]1CC(C)(C)Oc2ccccc21 412252171 HCFPTZINSLICOV-HNNXBMFYSA-N 287.403 3.804 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(O[C@@H](C)CC)cc1 410121145 JFYVPHATYSYFPL-DZGCQCFKSA-N 275.392 3.948 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(F)c(Cl)c1 504712694 RSNIQIXESKQCTP-IWQZZHSRSA-N 258.683 3.916 30 20 CHED Cc1cnc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)s1 135774998 FKAHPOKPKUJINO-RYUDHWBXSA-N 271.389 3.735 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccsc1 222638037 UTRIHKSCOQCYIO-IHWYPQMZSA-N 250.344 3.714 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)c1ccccc1 501254028 PASLICOLUBXVHP-UHFFFAOYSA-N 266.344 3.593 30 20 CHED COc1cccc(OCCSCc2cccc(C#N)c2)c1 507619466 SDMWXKVHLACUHV-UHFFFAOYSA-N 299.395 3.879 30 20 CHED C[C@@H](C(=O)NC1(C#N)CCC1)c1ccc2ccccc2c1 84587858 JCMWORQFSIZFCO-CYBMUJFWSA-N 278.355 3.506 30 20 CHED Cc1c(C#N)cccc1-c1nc(Cc2ccccc2)no1 511221867 LHNUEYHEMXSDEJ-UHFFFAOYSA-N 275.311 3.508 30 20 CHED CC1(C(=O)N[C@H](C#N)c2ccccc2F)CCCCCC1 511608150 CGICANUCOJOWFA-OAHLLOKOSA-N 288.366 3.867 30 20 CHED CC[C@@H](C#N)Oc1cc(CN[C@H](C)C(C)C)ccc1OC 89632462 CKNZYSYRYFJJPG-HIFRSBDPSA-N 290.407 3.510 30 20 CHED CCc1onc(C)c1C(O)=Nc1scnc1C1CC1 328926212 ORALDJOMEFMGOE-UHFFFAOYSA-N 277.349 3.516 30 20 CHED C#CCCCC(=O)N1CC[C@@H](C)Sc2ccccc21 192102223 IOYWTSGTZXPRGO-CYBMUJFWSA-N 273.401 3.707 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCN(c2ccccc2F)C1 426296600 SVLLEIGLOIUIBQ-SOUVJXGZSA-N 276.399 3.595 30 20 CHED Cc1nn(C(C)C)cc1CN(C)[C@H](C)c1cccc(C#N)c1 425367216 RVOUZERHOPDHRG-OAHLLOKOSA-N 296.418 3.837 30 20 CHED CCCNc1ccc(CNCc2cccc(C#N)c2)cc1 193155084 FLBWALUZMXPLIT-UHFFFAOYSA-N 279.387 3.670 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](CC(C)C)C1 337970423 IYQXHCJUHCOXQD-HNNXBMFYSA-N 284.403 3.765 30 20 CHED C[C@@H]1C[C@@H](C(=O)NCc2ccc(C#N)s2)CC(C)(C)C1 421605269 UNLZTALORDVLPO-VXGBXAGGSA-N 290.432 3.698 30 20 CHED C/N=C(/O)c1cccc(NC(=O)[C@@H](C)C(C)(C)C)c1C 330791206 BEYSYGHORKMPNC-LLVKDONJSA-N 276.380 3.550 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](CC(F)(F)F)C(C)C 510373195 DLEIZYVOKHJGDZ-ZDUSSCGKSA-N 298.308 3.574 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](C)CC 422200116 FKIBDNPOGUKQPQ-ZDUSSCGKSA-N 278.371 3.569 30 20 CHED Cc1cc(C)cc(C2=CCN(CCCC#N)CC2)c1 92428479 BTJRGHSYAMLBGE-UHFFFAOYSA-N 254.377 3.696 30 20 CHED C[C@H](Nc1cnccc1C#N)c1ccc(OC(F)F)cc1 339018093 ZSDAKBNSZOCZAM-JTQLQIEISA-N 289.285 3.728 30 20 CHED O=C1/C(=C\c2cccnc2)Cc2c(Cl)cccc21 96035604 KLNYQUHKGVJMJF-XFFZJAGNSA-N 255.704 3.557 30 20 CHED Cc1c(C(=O)Nc2ccc(F)c(C#N)c2)ccn1C(C)C 339879314 IJWKXRQTMVEOIF-UHFFFAOYSA-N 285.322 3.641 30 20 CHED C=CCOc1ccc(CN2CCOCC2(C)C)cc1Cl 511476332 HKUWXMMASHGSQK-UHFFFAOYSA-N 295.810 3.516 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CC(C)(C)C1 335075723 IZTYEWIHCPPDKP-LBPRGKRZSA-N 270.376 3.514 30 20 CHED CC[C@@H](C)CCC(=O)N[C@H](C#N)c1ccccc1Cl 512280848 XYMCEILREPYLAU-BXUZGUMPSA-N 278.783 3.847 30 20 CHED C=CCCCN1CCC[C@@H]1Cn1c(C)nc2ccccc21 339657242 BVIUJSHYYWSJJZ-MRXNPFEDSA-N 283.419 3.775 30 20 CHED C[C@@H](N(C)c1ccc(C(F)(F)F)c(C#N)n1)C1(C)CC1 337009738 FBVBSZZVDPQTSA-SECBINFHSA-N 283.297 3.597 30 20 CHED CCCN(CC#N)Cc1cc(C)c(C)cc1OC(F)F 92398468 BDSVYIFVOJBBJK-UHFFFAOYSA-N 282.334 3.640 30 20 CHED Cc1ccc(CCNc2nc(C)ccc2C#N)c(C)c1 346832509 ODDXCMIEIUSDJW-UHFFFAOYSA-N 265.360 3.533 30 20 CHED C/C(Cl)=C\CN(Cc1ccc(C#N)cc1)C(C)C 528369477 ZRYQNKWLHHIBGX-MDWZMJQESA-N 262.784 3.911 30 20 CHED CN(Cc1ccccc1Oc1cccnc1)CC(C)(C)C#N 433318376 OHQPZPNHFQANRU-UHFFFAOYSA-N 295.386 3.855 30 20 CHED CC(C)(C)CN(CC#Cc1cccc(Cl)c1)CCC#N 438069260 UFHFOZJWARVQGA-UHFFFAOYSA-N 288.822 3.953 30 20 CHED Cc1cc(OCc2ccc(C#N)cc2C)ccc1C#N 618064490 QPGRJVBTQMNKTL-UHFFFAOYSA-N 262.312 3.626 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CSc3ccccc32)n1 344627196 NVHJDURGPFOKRD-CQSZACIVSA-N 281.384 3.829 30 20 CHED Cc1cc(CNC[C@@H](C)CCC#N)ccc1Cl 602615245 XHBXWWHVZAMTSM-NSHDSACASA-N 250.773 3.678 30 20 CHED N#CCC[C@H](Nc1ncccc1F)c1ccccc1 439108064 NWMMGKJNUKSFBA-AWEZNQCLSA-N 255.296 3.678 30 20 CHED CCN(Cc1ccc(C#N)cc1OC(F)F)C1CCC1 437892735 YNYHCLOXRXQDDO-UHFFFAOYSA-N 280.318 3.534 30 20 CHED COc1ccc(C)cc1CNc1ncc(C#N)cc1Cl 608885368 ZTDFSNFPGLFINK-UHFFFAOYSA-N 287.750 3.536 30 20 CHED Cc1cc(C)cc(NC(=O)CNc2cccc(C#N)c2C)c1 431328872 YNEQMDJDSIPIHT-UHFFFAOYSA-N 293.370 3.534 30 20 CHED C=CCCC(=O)Nc1nc2c(C)cc(C)cc2s1 522614260 URXSTHQNFLWVOG-UHFFFAOYSA-N 260.362 3.818 30 20 CHED C=CCCNc1ccccc1OC[C@@H]1CCCCO1 607149950 DLSZZJWZUNYIFX-AWEZNQCLSA-N 261.365 3.623 30 20 CHED N#Cc1cnccc1/C=C\c1cc(F)c(F)c(F)c1 349113359 RRJNBAGDUTVKSI-UPHRSURJSA-N 260.218 3.541 30 20 CHED CC(C)Oc1ccc(CNC[C@@H](C)CCC#N)cc1 602509319 RKZBAKZGJZLEMQ-AWEZNQCLSA-N 260.381 3.503 30 20 CHED C=C(CNCc1ccc(C#N)cc1F)c1ccccc1 343776518 ZDBNTJHWNCHEPN-UHFFFAOYSA-N 266.319 3.500 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H]2CCc3ccccc32)n1 347315590 OYORTBHIFISIQO-OAHLLOKOSA-N 277.371 3.712 30 20 CHED CC(C)(C)N(CC#N)Cc1ccc(Br)cc1 528589831 BRBAUQCOMSGGGQ-UHFFFAOYSA-N 281.197 3.573 30 20 CHED COc1ccc2ccccc2c1CN[C@@H]1CC[C@H](C#N)C1 349803958 RTWOFBZIPBNBDT-DZGCQCFKSA-N 280.371 3.630 30 20 CHED C=CCCN(C)Cc1cnn(-c2ccc(Cl)cc2)c1 343452496 ZUUBOIYHXKCSBN-UHFFFAOYSA-N 275.783 3.534 30 20 CHED Cn1cc(NCc2ccc(C#N)s2)c(-c2ccccc2)n1 344296752 BQEXCYFLGNUMAV-UHFFFAOYSA-N 294.383 3.632 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnn(CC(C)C)c1 340948313 LWGRGHMHLBXTJJ-UHFFFAOYSA-N 283.419 3.727 30 20 CHED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1ccco1 254958664 WAPLQCHQQVYZMU-ARJAWSKDSA-N 252.191 3.593 30 20 CHED CCC(C#N)(CC)c1nc(Cc2cc(C)ccc2C)no1 528091771 IFAUBHHHIYXESW-UHFFFAOYSA-N 283.375 3.859 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C\c1ccccc1C#N 254977559 OPXJLDDWWYZDCF-RHGOFHPTSA-N 294.398 3.751 30 20 CHED Cc1cc([C@@H]2CCCN2)ccc1-c1cccc(C#N)c1 600777495 QHOHDCQAQAABHJ-SFHVURJKSA-N 262.356 3.958 30 20 CHED C=C(CC)CN(C)[C@H]1CCCc2nc(CC)sc21 540216089 YUOAMLXKVUNGSU-ZDUSSCGKSA-N 264.438 3.981 30 20 CHED CC1(C)/C(=C\c2cccc(O)c2)C(=O)c2ccccc21 255554153 HBEFDOXXUWHDKF-WJDWOHSUSA-N 264.324 3.950 30 20 CHED C=C(C)CCNCc1csc(COc2ccccc2)n1 449480388 YGBRLIGUIRTCOR-UHFFFAOYSA-N 288.416 3.778 30 20 CHED C=C(C)CSc1ncnc2sc(C)c(C)c12 255941525 PQAOYRJFWNNEMV-UHFFFAOYSA-N 250.392 3.976 30 20 CHED CN(C/C=C\c1ccccc1)Cc1ccc(C#N)cc1 255640958 RKMJDMRQOCOUFU-YVMONPNESA-N 262.356 3.703 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@@H](C)CCC[C@H]1C 607553685 CQNLNFAYPAYEMA-LSDHHAIUSA-N 287.403 3.902 30 20 CHED CCCOc1cccc(CN(CCC#N)C(C)C)c1 536645200 UHUYKAMXZXHHMD-UHFFFAOYSA-N 260.381 3.599 30 20 CHED C[C@H](CCC#N)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C 602478279 OVYYITBRUJALMJ-IIAWOOMASA-N 274.383 3.943 30 20 CHED Cc1nc(S[C@H](C)c2cccc(C#N)c2)nc(O)c1C 442902376 SCCUFYQCLUEFGP-LLVKDONJSA-N 285.372 3.524 30 20 CHED C=CCCCn1ncc2cc([N+](=O)[O-])cc(Cl)c21 539249527 UFIPMAZHIHMPEV-UHFFFAOYSA-N 265.700 3.564 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H]1c1ccc(F)cc1 602435108 QYODBNGRXAZBCX-BBRMVZONSA-N 260.356 3.902 30 20 CHED C=CCCCS[C@H](C)C(=O)NCCc1ccccc1C 609805117 QGOJLTLPJYBJST-OAHLLOKOSA-N 291.460 3.742 30 20 CHED C=C(C)COc1cccc(N[C@@H]2C[C@H](C)O[C@@H]2C)c1 449056217 ZKTKVISTCMIYQZ-WOSRLPQWSA-N 261.365 3.619 30 20 CHED C=C[C@@H](CO)N[C@H](CCC)c1ccc(Cl)c(Cl)c1 353569208 KNCOFXKTWLJLPE-SMDDNHRTSA-N 288.218 3.971 30 20 CHED CC[C@@H](C)CN(CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 267119190 AORMATJLVIIJQN-KGLIPLIRSA-N 287.407 3.697 30 20 CHED C=CC(C)(C)C(=O)NCC1(c2cccc(Cl)c2)CC1 449919012 MMYVPIHTGUAZMK-UHFFFAOYSA-N 277.795 3.700 30 20 CHED CC(C)N(CCC(C)(C)C#N)Cc1ccccc1F 537363264 LZJAJOKQHPRQDZ-UHFFFAOYSA-N 262.372 3.976 30 20 CHED COc1ccc(F)cc1NCc1ccc(C#N)c(C)c1 444002646 OVLZCRWHYAXMNF-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCCNC(=O)c1cc2ccccc2n1CC(F)(F)F 617618378 NEPJROAMPOMYRB-UHFFFAOYSA-N 296.292 3.510 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CC3CCC2CC3)C1 617778328 DGRJQJLQWBLZJN-KNIAUWFNSA-N 261.409 3.627 30 20 CHED C=CCNc1cccc(-c2ccc3c(c2)CCO3)c1 536759855 GGJNTAZDPHXVDL-UHFFFAOYSA-N 251.329 3.886 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C(C)(C)C)oc2c(C)cccc12 267367630 BCVPNOFNWLPZPR-CYBMUJFWSA-N 284.359 3.718 30 20 CHED C=C(CNC(=O)NCC1(C2CC2)CCC1)c1ccccc1 354540580 UXFAKDKSDMOMNU-UHFFFAOYSA-N 284.403 3.579 30 20 CHED CC(C)c1cc(N[C@H](C)c2cccc(C#N)c2)ncn1 610340326 LODCTTWECQIDNI-GFCCVEGCSA-N 266.348 3.645 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cc(C)cc(C)c1)C1CC1 539008776 CHJXIPDJMDJKIV-AWEZNQCLSA-N 272.392 3.724 30 20 CHED C[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 610345561 VWAJDDVWILRTFX-ZIAGYGMSSA-N 293.370 3.680 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CC(C)(c2ccccc2)C1 459524243 GSQHHAGQANUVBE-IZIZEDOESA-N 285.431 3.678 30 20 CHED CCCCCCCC(=O)NCc1sc(C)nc1C 266092176 ALBXIOGPCQYFSE-UHFFFAOYSA-N 268.426 3.737 30 20 CHED CCO[C@@H]1CCC[C@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 453425327 YNUNYNZMFJUFKE-GUDVDZBRSA-N 298.430 3.873 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3cc(C)ccc3n2)C1 617778841 PLNFUXSJYQNHDB-HNNXBMFYSA-N 294.398 3.972 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)Nc1ccc(F)cc1F 536881085 HBQBSAPEJHOMSU-JTQLQIEISA-N 285.359 3.991 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1ccc(F)c(Cl)c1 614800150 JXQZVMYLCDBHHA-JTQLQIEISA-N 289.741 3.597 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OC)c(SC)c1 459686979 VSOPBZPGGGEOSY-LLVKDONJSA-N 294.420 3.893 30 20 CHED C=CCCC1(C(=O)N(C)[C@H]2C[C@H](OCC)C23CCC3)CC1 361932714 NQIXVAYEOPLVKL-GJZGRUSLSA-N 291.435 3.539 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cn1 618802307 DHWYXVOSILLBAQ-PIGZYNQJSA-N 297.789 3.945 30 20 CHED Cc1c(C#N)cccc1NC(=O)CNc1ccccc1Cl 610913987 HDMVEXMRFCUTGY-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C=CCC1(NC(=O)c2ccccc2F)CCCCC1 456377394 GCIVCMFGPAEDON-UHFFFAOYSA-N 261.340 3.835 30 20 CHED C=CCC1(NC(=O)Nc2nccs2)CCCCC1 454177555 YUHWQMFSYWPABH-UHFFFAOYSA-N 265.382 3.544 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 273849594 JPTKYIRZEGNYRE-MWLCHTKSSA-N 299.201 3.905 30 20 CHED C#CC[C@H](NCCCCCn1cc(C)cn1)c1ccccc1 271681580 IKPKDFYYBGCKDT-IBGZPJMESA-N 295.430 3.716 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C#N)c(Cl)c1 459868858 WOQOHQODWLRHKJ-UHFFFAOYSA-N 262.740 3.752 30 20 CHED CC(C)CCc1noc([C@H](C)Oc2ccccc2C#N)n1 547119371 PZTBZCMGUWBXEC-LBPRGKRZSA-N 285.347 3.670 30 20 CHED CC[C@H](c1ccc(Cl)cc1Cl)N1CCO[C@@H](C#N)C1 275773039 ZEBMXMVQBPRONY-SMDDNHRTSA-N 299.201 3.669 30 20 CHED C=CCC[C@@H](C(=O)N(C)CC(C)(C)OC)c1ccccc1 548287683 GGYQRXZSONVCAU-MRXNPFEDSA-N 289.419 3.620 30 20 CHED C=CCC1(C(=O)N[C@@H](C)[C@H]2CCCCO2)CCCCC1 450444764 CYKFNXIZPGSAFI-LSDHHAIUSA-N 279.424 3.587 30 20 CHED CCC[C@H](C#N)NC(=O)C(C)(C)c1cccc(Cl)c1F 547864765 ORDYQKXLXOKYIZ-SNVBAGLBSA-N 296.773 3.565 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 626851557 XRFBLISNRCDQTO-OWCLPIDISA-N 257.377 3.569 30 20 CHED CC(C)Oc1cccc(CNc2cccc(OCC#N)c2)c1 272648289 MNRNBVLMBBSQAV-UHFFFAOYSA-N 296.370 3.988 30 20 CHED C=CCC1(NC(=O)Nc2ccnn2C(C)C)CCCCC1 454273840 QJLIMUONQNDNGR-UHFFFAOYSA-N 290.411 3.865 30 20 CHED C=CCC1(CNC(=O)c2ccccc2COC)CCCC1 456491294 ZLBKBQWJUPCKBW-UHFFFAOYSA-N 287.403 3.699 30 20 CHED CC(C)[C@@H](CNC(=O)CC(C)(C)C#N)Cc1ccccc1 278674708 CVBBLQLNIPTUIW-MRXNPFEDSA-N 286.419 3.557 30 20 CHED CCOC(=O)[C@H](CC(C)C)Sc1ccc(C#N)cc1F 542004566 MDXXMLWNPPCRKS-AWEZNQCLSA-N 295.379 3.767 30 20 CHED CO[C@@H](c1ccccc1F)[C@@H](C)NCc1cccc(C#N)c1 272091288 SWQQSGFKDJIYQT-FZKQIMNGSA-N 298.361 3.563 30 20 CHED CC#CCCCC(=O)Nc1ccc(OCCC)c(F)c1 629504242 YFTYIRQNCJYSSJ-UHFFFAOYSA-N 277.339 3.747 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CC(C)(C)C1 544281017 SFTRLTPBDDFUGZ-NSHDSACASA-N 289.354 3.597 30 20 CHED COc1ccccc1[C@]1(C)C[C@H]1Nc1ccc(F)cc1C#N 462869850 IIRDVJRQLOTIBT-MSOLQXFVSA-N 296.345 3.848 30 20 CHED CC(C)(C#N)CCCN1CCC=C(c2cccnc2)C1 289428810 VKUKWMOJGQNMFY-UHFFFAOYSA-N 269.392 3.501 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CCC(C)=C(C)C1 460940056 ORGYPAGAXLLUHP-UHFFFAOYSA-N 288.439 3.599 30 20 CHED CC(C)c1ccc(CC2CCN(CC#N)CC2)cc1 462468952 UYBTXDHNFIPNDD-UHFFFAOYSA-N 256.393 3.588 30 20 CHED CC1(C)CCN(C[C@@H](C#N)CCC#N)c2ccccc21 289144451 YYUIJTDFZOUXRO-CQSZACIVSA-N 267.376 3.618 30 20 CHED C=CCN(CC=C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 552545989 KCUXNPLFIIRAAW-ZDUSSCGKSA-N 292.810 3.649 30 20 CHED CC(C)CC(=O)Nc1ccc(NC[C@H](C#N)CCC#N)cc1 554552252 OFJNTWLYYNYKAI-AWEZNQCLSA-N 298.390 3.527 30 20 CHED CC(C)(C#N)CCN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 558116441 ISQIKJLFYDFYGK-CABCVRRESA-N 292.810 3.699 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1N=c1[nH]ccc(C#N)c1Cl 553145385 VHNDWPMSBTXRGX-ZBEGNZNMSA-N 297.789 3.764 30 20 CHED CCc1c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccn1C 290105870 JBAWQJHWUPVKHL-UHFFFAOYSA-N 295.386 3.641 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1ccc(-c2ccccc2)nn1 297582107 DYNSFSNBJGFJOF-UHFFFAOYSA-N 295.386 3.709 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCOC(=O)CCCCCC#N 805696021 SWIUHNKCWDOSBK-CABCVRRESA-N 281.396 3.599 30 20 CHED CC(C)(C)[C@H]1CN(C(=O)CCCC#N)c2ccccc21 291830609 DSQTYTRSIWTEON-AWEZNQCLSA-N 270.376 3.857 30 20 CHED C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCF 297966403 YKSRIXXWLUHXAZ-UHFFFAOYSA-N 278.371 3.972 30 20 CHED CCCCN(CCCC)C(=O)c1ccc(C#N)cc1F 1354243581 VMZKIKGTRPCRSE-UHFFFAOYSA-N 276.355 3.740 30 20 CHED C#C[C@H](NC(=O)C1(C)CCCC1)c1ccc(Cl)cc1F 804414796 QDNDWHYLMFTUFU-AWEZNQCLSA-N 293.769 3.850 30 20 CHED C[C@H]1/C(=C\c2cccc3c2OCO3)C(=O)c2ccccc21 809159390 OQHARSXHAMFSBM-BTAWCLGRSA-N 278.307 3.799 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F 803454335 NPTQSTBWZIYIDV-AWEZNQCLSA-N 299.273 3.519 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1OCCC 473493883 FXGSEWUYOJNPKI-UHFFFAOYSA-N 276.380 3.953 30 20 CHED CCCCCCCCCNC(=O)N(C)[C@@H]1CCCOC1 806332470 OATFJBJFWCKGJQ-OAHLLOKOSA-N 284.444 3.557 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(CSC)cc2)no1 809339444 VXWSSIFCRIVZNN-UHFFFAOYSA-N 286.400 3.901 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C 562246920 QHQXRDQTRRCENP-KSSFIOAISA-N 279.387 3.662 30 20 CHED C=C(C)CNC(=O)Nc1ccc(N2CCCCCC2)cc1 801777696 FISPGDBHJADXII-UHFFFAOYSA-N 287.407 3.765 30 20 CHED C#Cc1cc(F)c(NCc2ccccc2F)c(F)c1 802745945 VVSRIEQZEOTQSY-UHFFFAOYSA-N 261.246 3.697 30 20 CHED COc1ccc(/C=C2\Cc3c(ccc(OC)c3F)C2=O)cc1 809157541 UFBVBHPDAAKXDO-FMIVXFBMSA-N 298.313 3.665 30 20 CHED CC#CCNC(=O)Nc1ccccc1SC1CCCC1 483873301 YZWBBGRQGTZRDK-UHFFFAOYSA-N 288.416 3.866 30 20 CHED CCOc1ccc(Sc2ccc(C#N)c(C)n2)cc1 813584537 SZZZIJDTOLQGBV-UHFFFAOYSA-N 270.357 3.812 30 20 CHED Cl/C=C/CON=Cc1cccc(-c2ccccn2)c1 811670504 UGPDJTLONYOGOP-HHHYQMJBSA-N 272.735 3.852 30 20 CHED C=CCCCCCCCN[C@H]1CCN(CC)C[C@@H]1C 810243958 WBTZBKRNBJEIMC-IRXDYDNUSA-N 266.473 3.833 30 20 CHED CN(CC#Cc1ccc(F)cc1)[C@H]1CCC(C)(C)C1 483110538 NTFJIUMLVCLXOZ-INIZCTEOSA-N 259.368 3.688 30 20 CHED C=CCCCCOC(=O)c1ccc2ncccc2c1 811010172 MESIRCCXBYNSEC-UHFFFAOYSA-N 255.317 3.748 30 20 CHED CCc1ccc(C=NNc2ccc(F)c(F)c2F)o1 814945176 PBDYRLZPVSBBKU-UHFFFAOYSA-N 268.238 3.705 30 20 CHED CC#CCCCC(=O)Nc1cc(C)cc(Br)c1 485641781 HSFFNVVWGYIXGU-UHFFFAOYSA-N 294.192 3.890 30 20 CHED C#C[C@H](Nc1ncncc1Cl)c1ccc(Cl)cc1 811862708 LEENOCWLYZFGCH-LBPRGKRZSA-N 278.142 3.570 30 20 CHED CC[C@@H](O)CNN=C(C)c1cc2c(ccc3ccccc32)o1 811656636 RJXDMJNNOUKRBZ-CQSZACIVSA-N 296.370 3.671 30 20 CHED Fc1cc(F)cc(C2CC(=NNc3ncccc3F)C2)c1 814927566 VBDLDRIECGFLAM-UHFFFAOYSA-N 291.276 3.844 30 20 CHED C=CCN(CCc1ccco1)C(=O)NCc1ccc(C)cc1 486883965 GRBFEFATPDHBMF-UHFFFAOYSA-N 298.386 3.528 30 20 CHED C#CCCCCNC(=O)Nc1ccc2c(c1)C(=O)CCCC2 817349288 POYSUXYAGBXFGO-UHFFFAOYSA-N 298.386 3.521 30 20 CHED Cl/C=C/CON=Cc1ccccc1N1CCCCC1 811670062 MRMBOBBYLPPRQK-FJTKUSMOSA-N 278.783 3.780 30 20 CHED CC#CCCCc1nc(C2(c3cccc(C)c3)CC2)no1 577112082 WGGYSBNQDPOHFZ-UHFFFAOYSA-N 280.371 3.804 30 20 CHED C=C(Br)COC(=O)c1cc(F)ccc1Cl 814512292 QTUDTDYVJOILJP-UHFFFAOYSA-N 293.519 3.545 30 20 CHED Clc1cnc(C=NNc2ccccc2Cl)s1 814691060 LBJAHXLOKSFEDK-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1ncc2cc(C#N)ccc2n1 483807050 LZCOXUDSRQZRQK-QGZVFWFLSA-N 296.374 3.656 30 20 CHED CC(=NNC1CCCC1)c1ccc2ccccc2c1O 727652125 CTUFVHIMCKBEJJ-UHFFFAOYSA-N 268.360 3.802 30 20 CHED N#Cc1ncccc1S[C@H](C#N)C1CCCCC1 571224496 ABVYCNCERDHOAJ-CQSZACIVSA-N 257.362 3.518 30 20 CHED C=CCC(F)(F)C(=O)NCC1(CC)CCCCC1 816113451 SQSDYQRRZNCMJJ-UHFFFAOYSA-N 259.340 3.675 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccnc(Cl)c1 811694058 PKTGAMKSDQHQKY-SNAWJCMRSA-N 286.693 3.642 30 20 CHED CCc1cccc(C)c1NN=Cc1conc1CC 814922833 ASMXPJXDHGNBRZ-UHFFFAOYSA-N 257.337 3.554 30 20 CHED C[C@@H]1/C(=C\c2cnn(CC(F)F)c2)C(=O)c2ccccc21 814189053 DMUMXNQUJYXHAE-XPWNQWCVSA-N 288.297 3.532 30 20 CHED C[C@@]1(COc2cccc(C#N)c2)CC1(Cl)Cl 828391973 FXPIDSUSCZEXPM-NSHDSACASA-N 256.132 3.521 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CC[C@H](C)CC)cc1 572077130 UESVFNTVMLZKCU-CJNGLKHVSA-N 272.392 3.756 30 20 CHED Cc1nc(C(=O)Nc2cccc(C3CCC3)c2)ccc1C#N 577434238 MMNRVYRHIOEDCW-UHFFFAOYSA-N 291.354 3.782 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(C)c(N2CCNC2=O)c1 494526387 ICYRRYXEBHOKET-CQSZACIVSA-N 287.407 3.681 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H](F)C2)c(C(F)(F)F)c1 584045497 RILGYIBNFWTCBW-VHSXEESVSA-N 272.245 3.880 30 20 CHED C=CCC[C@H](N[C@H]1CC[C@H](CCC(C)C)C1)C(=O)O 901690684 OKYKBCGLDBTTNF-KKUMJFAQSA-N 267.413 3.600 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2[C@@H](C)CCC[C@H]2C)cc1 499169311 MQPFHCBBGQUUBK-HALDLXJZSA-N 287.403 3.806 30 20 CHED COc1ccc(CNN=C(CC2CC2)c2ccccc2)cc1 735972006 HMGOFNBLVWWODG-UHFFFAOYSA-N 294.398 3.989 30 20 CHED CC#CCCNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 499000625 LRFAUULIJNQIEC-BJLQDIEVSA-N 295.426 3.565 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)CCCCCC#N 588621395 BSZWSBNYQDGFQS-LSDHHAIUSA-N 264.413 3.888 30 20 CHED C=CCC1(NC2CC(c3cccc(F)c3)C2)CCOCC1 668552650 QEKUCCXCBSCXQU-UHFFFAOYSA-N 289.394 3.787 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1csc(C)n1 835021410 WDKUYGPWIJHBKF-CQSZACIVSA-N 289.379 3.592 30 20 CHED CN(C)c1nnc(SCCCCC2(C#N)CCC2)s1 901488884 HHYDDTLCQYIBQM-UHFFFAOYSA-N 296.465 3.560 30 20 CHED Cc1ccc(S[C@H](C(=O)O)c2ccc(C#N)cc2)cc1 738660446 OZZAWIQIAYYTGE-HNNXBMFYSA-N 283.352 3.785 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(O)c(OC)c2)ccc1C 588599085 HKFHPYVNJBPVJB-VURMDHGXSA-N 298.338 3.614 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)C#CC(C)(C)C 837692616 RIAZXXJFZDIMOR-INIZCTEOSA-N 287.378 3.847 30 20 CHED Fc1ccccc1NN=Cc1ccc(Cl)s1 839411214 DVTNUXSQDLISSC-UHFFFAOYSA-N 254.717 3.987 30 20 CHED C=CCOC(=O)Cc1cccc(OCc2ccccc2C)c1 730073288 BQYGWZWUMUSCSO-UHFFFAOYSA-N 296.366 3.846 30 20 CHED C[C@@H](CC(=O)OCc1cccc(C#N)c1)c1cccc(F)c1 734905971 UXIOZNXUPAIMAE-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC2(CCC2)CC1 586783451 XIXIRMVCSZNHLW-UHFFFAOYSA-N 274.795 3.978 30 20 CHED CCCCCCC[C@H](C)CN[C@H]1CCn2ccnc21 834527192 XUJIKJWKHDUCSS-GJZGRUSLSA-N 263.429 3.914 30 20 CHED C=C[C@H](CC)CC(=O)OCc1oc(C(C)C)nc1C 905720705 RRFMIZMLSPRAQA-GFCCVEGCSA-N 265.353 3.752 30 20 CHED C#CC1CCN(C(=O)Nc2c(C)cccc2SC)CC1 831682577 BPGAZWDXXQFLKE-UHFFFAOYSA-N 288.416 3.594 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(F)c2Cl)C1 839053361 LGTJLRXZDAZZPU-NXEZZACHSA-N 281.714 3.718 30 20 CHED C=C(Cl)CN1CCN(CC(=C)Cl)[C@H]([C@@H](C)CC)C1 839528826 RKDRHUNBRDLKBG-FZMZJTMJSA-N 291.266 3.524 30 20 CHED C[C@H](OC(=O)C1(C(F)(F)F)CCC1)c1cccc(C#N)c1 835131703 NSZCUORRPRLASN-JTQLQIEISA-N 297.276 3.895 30 20 CHED N#C[C@]1(C(=O)OCc2ccc(Cl)s2)CC12CCCC2 837904414 YVJLEKQXBYCNHQ-AWEZNQCLSA-N 295.791 3.919 30 20 CHED Cc1ccccc1C(=NNc1ncc(F)cc1F)C1CC1 835023108 ZMTLHPCHRPQMSY-UHFFFAOYSA-N 287.313 3.894 30 20 CHED CC1(C)CCC[C@H](CNC(=O)N2CCC[C@H](CC#N)C2)C1 595646719 MVNKWSNNSCXBKR-CABCVRRESA-N 291.439 3.538 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)Cc2ccccc2CC#N)C1 837117067 OJNYEAMGXKKOTL-OAHLLOKOSA-N 298.430 3.628 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC1(C#N)CCCCC1 598823267 NYWCIESLPJHNDI-UHFFFAOYSA-N 289.423 3.829 30 20 CHED C=CCN(C(=O)NCCc1ccc(C(C)C)cc1)C(C)C 918057706 UBNLNYBSWUNLAZ-UHFFFAOYSA-N 288.435 3.959 30 20 CHED O=[N+]([O-])c1cc(C=NNc2ccc3ccccc3n2)cs1 917531982 KPJHQTSKEJVXDA-UHFFFAOYSA-N 298.327 3.651 30 20 CHED C#CCOc1ccc(C(=O)N[C@@H](C)CCC(C)(C)C)cc1 741568372 HWVQZYMHYCFOKA-AWEZNQCLSA-N 287.403 3.643 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCCC(F)(F)CC1 599754928 ASHQUBKVCVJLIU-UHFFFAOYSA-N 293.317 3.520 30 20 CHED N#C[C@@H](NC(=O)c1ccc(C2CC2)cc1)C1CCCCC1 597343457 ZGSIXRBRUDNGIZ-QGZVFWFLSA-N 282.387 3.766 30 20 CHED C[C@@H]1CN(c2nc(C#N)c(Cl)s2)[C@H]2CCCC[C@@H]12 596190628 UVLMQJMFBGREOJ-YWVKMMECSA-N 281.812 3.683 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCc1cc(F)cc(F)c1 748583754 FMKGAZQDNAFNFQ-OCKHKDLRSA-N 295.716 3.985 30 20 CHED CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)C1CCCC1 595093637 DQLUQEJYEQYLRD-PXAZEXFGSA-N 290.382 3.553 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)c1cc2ccccc2n1CC#N 590892065 RWRQYRJDACBWGU-ZDUSSCGKSA-N 297.402 3.719 30 20 CHED C=C(Cl)CSc1n[nH]c(/C=C/c2ccccc2)n1 842135601 RNRFBMKRIXUNBM-BQYQJAHWSA-N 277.780 3.820 30 20 CHED N#CCOc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1 748998627 NDKYUUGJBBJYCI-LREOWRDNSA-N 298.729 3.533 30 20 CHED CC[C@H](CSc1nc(C)nc(C)c1C#N)CC(F)F 594885444 HKCWIRKACLUFQQ-JTQLQIEISA-N 285.363 3.739 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(OCCC(C)C)c1 593418731 JMGLCPNEYBYUDZ-CYBMUJFWSA-N 274.364 3.600 30 20 CHED CCCCCC1=C(C)CCC1=NNC(=S)NC1CC1 916283261 SMNYOWKWNBGMAW-UHFFFAOYSA-N 279.453 3.660 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)CCC(C)(C)C)c1 592262117 JHOWWZFHEMDETM-UHFFFAOYSA-N 273.380 3.767 30 20 CHED CCO[C@@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)C[C@@H]1C 595527578 VMEMSNFVJGODQX-VBNZEHGJSA-N 292.810 3.652 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C3CC3)cc2)n(C)n1 840719745 KVPBEFKZMYESOS-YHYXMXQVSA-N 266.344 3.502 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC(F)(F)C1 675727988 GIWCEKXCEPVIOL-AWEZNQCLSA-N 294.345 3.572 30 20 CHED CC(C)[C@H]1N(c2nc(C#N)c(Cl)s2)CC1(C)C 596239862 LZPDLCOMKFOTMV-SECBINFHSA-N 269.801 3.539 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H]2CCC[C@@H]2C2CC2)cc1 840954312 GVKAXGIVPDASNL-LSBZLQRGSA-N 298.430 3.893 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H](C)Oc2ccc(C)cc2)c1 743042159 HHUSBMDACRUAAG-VCRXTVNUSA-N 299.370 3.596 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](CC)c1ccc(Cl)s1 593471478 QISAWCBXCPJCRS-RKDXNWHRSA-N 270.785 3.519 30 20 CHED CC(C)OC1CCC(NCc2ccc(C#N)c(F)c2)CC1 591502202 LOXCZMPUTFJVHD-UHFFFAOYSA-N 290.382 3.523 30 20 CHED Cc1ccc(-c2ccc(C[C@@H](O)C3CC3)cc2)c(C#N)c1 592989374 TYPLDOFTFIPLAV-LJQANCHMSA-N 277.367 3.847 30 20 CHED C=CCN(C(=O)NC[C@H](C)Cc1cccs1)C(C)C 745860567 XGKVCCZGEPYMAF-CYBMUJFWSA-N 280.437 3.533 30 20 CHED C=CCC[C@H](NC[C@H](C)C(=O)OC(C)(C)C)c1ccco1 594508374 BNMKSYMNXAICAG-KBPBESRZSA-N 293.407 3.854 30 20 CHED CC(C)(C)n1cc(CSc2ccc(C#N)cc2F)cn1 594887080 GBKZCEAJJMIUHS-UHFFFAOYSA-N 289.379 3.941 30 20 CHED CCc1nc(C(C)C)ccc1CN(C1CC1)[C@H](C)C#N 595710695 UIKDIEBZFMQXDU-CYBMUJFWSA-N 271.408 3.644 30 20 CHED N#Cc1cn[nH]c(=N[C@@H](CC2CCCC2)c2ccccc2)c1 596174352 GSRVZGXBTADKNE-KRWDZBQOSA-N 292.386 3.504 30 20 CHED CC(C)(CCC#N)COC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 842347843 ATNBNRSLHWWZAK-JKSUJKDBSA-N 296.370 3.535 30 20 CHED CN(C)Cc1cccc(-c2ccc(OCCC#N)cc2)c1 592987472 VKYTWTLZCKFBKJ-UHFFFAOYSA-N 280.371 3.708 30 20 CHED C=CCCCOC(=O)CCc1cn(C)c2ccccc12 756295653 OWQJNFITBXMMFO-UHFFFAOYSA-N 271.360 3.620 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1ncnc2ccsc12 850310293 KXWJTMABJWKNMK-SNVBAGLBSA-N 276.361 3.593 30 20 CHED Cc1ccc(C=NN2CCCC[C@@H]2C)c(-c2cnn(C)c2)c1 853381817 MJGKHJNWRWFPSR-HNNXBMFYSA-N 296.418 3.604 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 755378344 ZVALTBQVLSNOHF-WFASDCNBSA-N 272.392 3.868 30 20 CHED CC(C)c1cnc(C=NNc2ccc(Cl)cn2)s1 853435035 LHNCJBKTFNTXQV-UHFFFAOYSA-N 280.784 3.761 30 20 CHED COc1cccc(/C=C2\Cc3c(F)cccc3C2=O)c1OC 921266663 QHBBDASGQBXQHS-FMIVXFBMSA-N 298.313 3.665 30 20 CHED C=CCCC(=O)O[C@@H]1CCc2c(OCC3CC3)cccc21 753250635 SHZIYKUKNRNFTL-QGZVFWFLSA-N 286.371 3.972 30 20 CHED Fc1ccc(/C=C/C=NNc2cncc(Cl)n2)c(F)c1 758103726 KSSWNJXJBVTGQJ-KKAYSIFJSA-N 294.692 3.519 30 20 CHED C#CCCCCNc1nc(-c2ccccc2C)ns1 858444478 XEPCHDLXNNCTMZ-UHFFFAOYSA-N 271.389 3.729 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 753259032 NQZBVSRKKCFALV-NVXWUHKLSA-N 284.403 3.508 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H]1CCC(C)(C)C1 753727839 QCTCGGRFCWKFMT-OLZOCXBDSA-N 258.365 3.968 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)Nc1sccc1C#N 920999749 WANOVZNYGSYTCR-SNVBAGLBSA-N 288.347 3.576 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)C1CCCC1 750678435 LPNULHWGDIMPAI-TZMCWYRMSA-N 295.386 3.576 30 20 CHED N#Cc1ccc(O)c(NC(=O)/C=C\c2ccc(Cl)cc2)c1 759716880 FHYHAZDIVHOFEM-YWEYNIOJSA-N 298.729 3.569 30 20 CHED N#Cc1cccc(NN=Cc2cccc(Cl)c2F)c1 759649044 SPCUULXGDJWPKR-UHFFFAOYSA-N 273.698 3.797 30 20 CHED CCN(C[C@H](C)C#N)C(=S)Nc1cccc(C(C)C)c1 920995147 SMBBOHWOZHGVCP-CYBMUJFWSA-N 289.448 3.988 30 20 CHED FC(F)(F)COc1ccccc1CON=CC1CC1 853735052 MKBMPQDCMNKMOV-UHFFFAOYSA-N 273.254 3.540 30 20 CHED Cc1cc(C)cc(NN=C2C(=O)Nc3cccc(Cl)c32)c1 750932080 ZNXHSLIAKLOCIS-UHFFFAOYSA-N 299.761 3.725 30 20 CHED COc1ccc(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 750945963 KEHNWCRIEKPHBU-NHYWBVRUSA-N 270.332 3.858 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc(F)c(C#N)c2)co1 752879310 GHLVMIYWLHTBSE-XQRVVYSFSA-N 284.290 3.705 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccccc2F)co1 752883195 BAVQSBBYWYIPPD-FPLPWBNLSA-N 259.280 3.833 30 20 CHED C#CCN(C(=O)C[C@H]1CC[C@@H](C)C1)C1CCCCC1 759172472 UURDRZQUTIJDHX-CABCVRRESA-N 261.409 3.607 30 20 CHED C#CC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 754075521 KKNDPTBAKLSFSJ-MRXNPFEDSA-N 275.779 3.711 30 20 CHED C/C(=C/C(=O)N[C@H](C)CC#N)C12CC3CC(CC(C3)C1)C2 751393257 OVNHDIODNIIACP-SSCSIPLESA-N 286.419 3.567 30 20 CHED COCc1cccc(C=NNc2ccc(F)cc2C)c1 750938235 FAPJIFKADQBYPK-UHFFFAOYSA-N 272.323 3.727 30 20 CHED CC[C@](C)(C#N)NC(=O)/C(C)=C\c1cccc(Cl)c1 758937191 CFCYGQGANPVRAP-MEODZPNASA-N 276.767 3.552 30 20 CHED C=CCCSCCNCc1c(O)ccc(Cl)c1F 850354329 DQNJCKQSRNPMEC-UHFFFAOYSA-N 289.803 3.584 30 20 CHED CCc1nc(C=NNc2cccc(Cl)c2)cs1 755471400 IENAZIDAHVVGDB-UHFFFAOYSA-N 265.769 3.805 30 20 CHED CSCC(C)(C)NCCCCC1(C#N)CCC1 934661856 CVZBICKZNIYDGD-UHFFFAOYSA-N 254.443 3.582 30 20 CHED CC(C)C(=NNc1oc(C(C)C)nc1C#N)C1CC1 750937124 NDWIHQYCJGAVGV-UHFFFAOYSA-N 260.341 3.504 30 20 CHED C#CCN(C(=O)Nc1ccccc1CCC=C)C(C)C 931289717 CAHRENLDBWEJLW-UHFFFAOYSA-N 270.376 3.681 30 20 CHED CCCCC[C@@H](C(=O)N[C@@H](C#N)C(C)C)C(C)C 766640518 ITFKQVFYYMKVKM-KGLIPLIRSA-N 252.402 3.503 30 20 CHED C#C[C@@H](C)N(C)C(=O)C1(c2ccccc2C)CCCCC1 767253884 XVAXTOGIHWHXKR-MRXNPFEDSA-N 283.415 3.677 30 20 CHED Clc1nccnc1NN=C1C[C@@H]2CCCc3cccc1c32 763364699 UPIHHBKNOBMOTD-NSHDSACASA-N 298.777 3.770 30 20 CHED CCC(C)(C)CNC(=S)Nc1ccc(C#N)c(Cl)c1 761506171 VWOQJVPOILNHKF-UHFFFAOYSA-N 295.839 3.934 30 20 CHED C=CCN(C(=O)C1CCC(C(F)(F)F)CC1)C(C)C 766393275 QQYDXOIJGOCLJN-UHFFFAOYSA-N 277.330 3.778 30 20 CHED C=CCc1ccc(OCc2ccc3nonc3c2)c(OC)c1 864046005 SUXVWAJVGLUNCY-UHFFFAOYSA-N 296.326 3.539 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1ccc(C#N)cc1OC 766924962 UYMSSIIASUBKPR-LBPRGKRZSA-N 289.375 3.682 30 20 CHED C#C[C@@H](CC)OC(=O)/C=C/c1ccc2cc(OC)ccc2c1 768064087 WJMIZPPNOMFUDT-ZBZNSMLMSA-N 294.350 3.817 30 20 CHED C#CCOc1cccc(-c2noc(/C(C)=C/CC)n2)c1 761781474 IGKHXVGHQIQHTM-KPKJPENVSA-N 268.316 3.562 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1Cc1ccc(OCC#N)cc1 767907741 SFWZLSRECFRRTC-CRAIPNDOSA-N 286.419 3.990 30 20 CHED COc1cc(F)ccc1NN=Cc1cc(C)ccc1F 761890707 QOXAKWABFNDEOF-UHFFFAOYSA-N 276.286 3.728 30 20 CHED CON=Cc1ccc(C(=O)Oc2ccc(C)cc2C)cc1 864098543 MZXSFRPFERFBFQ-UHFFFAOYSA-N 283.327 3.503 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1csc(C)n1 764717788 HWPNPEUMBKYKLZ-UHFFFAOYSA-N 279.796 3.619 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(-c2ccccc2C#N)cc1 769963002 OEMNPMBQGMHIRA-OAHLLOKOSA-N 274.367 3.679 30 20 CHED CC#CCCCC(=O)O[C@H](C(=O)c1ccccc1)C(C)C 767670411 HNACJZKUUQZNFO-SFHVURJKSA-N 286.371 3.631 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(C2CCCCC2)c1 1116475410 CTGOMIQENQHYLG-AWEZNQCLSA-N 289.423 3.863 30 20 CHED CC(CC1CCC1)=NNCc1cnc2ccccc2c1 764779835 WLVZPABQJQBPJZ-UHFFFAOYSA-N 267.376 3.891 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(C#N)s1 762446760 FDNALCFFOITVSW-UHFFFAOYSA-N 259.309 3.595 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(SC)c(OC)c1 767663132 DSVQWAHSNUYKIJ-UHFFFAOYSA-N 292.400 3.510 30 20 CHED CCCCCCCCCC(=O)N1CCC(F)(F)C1 776526916 OWKYXXRJEKPITC-UHFFFAOYSA-N 261.356 3.995 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@@H]1CC[C@@H](C)O1 777349610 BSSFFRMPSKNQRX-OLZOCXBDSA-N 292.400 3.689 30 20 CHED C#CCCCN[C@@H](c1ccc(F)cc1F)C(C)C 775541835 DJNMSINCNZUJGU-OAHLLOKOSA-N 251.320 3.665 30 20 CHED Cc1ccccc1CC(=O)O[C@@H](C#N)C1CCCCC1 776363340 VBRPOQRQMQVMER-INIZCTEOSA-N 271.360 3.553 30 20 CHED C(=NOC1CCOCC1)c1ccccc1OC1CCCC1 774442239 PBLAZEUQTRUIPK-UHFFFAOYSA-N 289.375 3.538 30 20 CHED Cc1ccc([C@@H](C)NCCCOc2ccc(C#N)cc2)cc1 774842719 CSFBHPKKSRSHCE-MRXNPFEDSA-N 294.398 3.986 30 20 CHED N#C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C1CCCCC1 776355410 BNZHIKDEYYQQMA-MRXNPFEDSA-N 282.343 3.797 30 20 CHED C=C(C)CNC(=O)/C=C\c1cccc(OC2CCCC2)c1 777835308 VPTWNZCPPDWFBA-KHPPLWFESA-N 285.387 3.714 30 20 CHED C#CC[C@@H](Nc1nnc(C(F)(F)F)s1)c1ccccc1 775520843 YMMFGVOELWHLCH-SNVBAGLBSA-N 297.305 3.733 30 20 CHED COc1ccc2cc(C(=O)OC3(C#N)CCC3)sc2c1 870232321 NDXPHWCAKNOABL-UHFFFAOYSA-N 287.340 3.513 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](F)Cc2ccccc2)c1 777954966 GHRYNEVHISPVDD-QGZVFWFLSA-N 299.345 3.771 30 20 CHED C=C(CC)COC(=O)[C@H](C)c1cn(C)c2ccccc12 772852496 WBNXJZNDRHNIIL-CYBMUJFWSA-N 271.360 3.791 30 20 CHED CC(C)[C@H](C(=O)OCC1(C#N)CC1)c1cccc(Cl)c1 775865191 QSCFUODRSHPOPU-AWEZNQCLSA-N 291.778 3.927 30 20 CHED CC(=NNc1c(F)cccc1F)C1CCSCC1 777438628 ZXBXEQAUGWEUMT-UHFFFAOYSA-N 270.348 3.896 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCCC(C)(C)C#N 776396107 OTCFTPFQUXXHOW-RYUDHWBXSA-N 277.389 3.643 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 1120629022 MUNJATZWKGOYFD-MNOVXSKESA-N 263.303 3.532 30 20 CHED CC(=NN[C@H](C)c1ccccc1)C1CCSCC1 777432402 CFUFGRGTSHBPLY-GFCCVEGCSA-N 262.422 3.856 30 20 CHED C[C@H](NCCCOc1ccccc1F)c1cccc(C#N)c1 776153367 CNQWCTVUYWWSHI-AWEZNQCLSA-N 298.361 3.817 30 20 CHED CCCCCCOc1ccc(C=NNC[C@H](C)C#N)cc1 771107465 NLAGGNUMOGUIQO-OAHLLOKOSA-N 287.407 3.729 30 20 CHED CC(C)(C#N)CCNC1(C(=O)OC(C)(C)C)CCCCC1 776593838 NEPNFOSHGFORLX-UHFFFAOYSA-N 294.439 3.560 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@]2(C1)CC2(F)F)c1ccccc1 1123920874 FIBIUJMIHODHCE-GDBMZVCRSA-N 291.341 3.604 30 20 CHED C#CCCCCCC(=O)N1CC(C)(C)Oc2ccccc21 779986813 SFJBDYCXLLULGB-UHFFFAOYSA-N 285.387 3.774 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)c1ccc(Cl)cc1 1121160790 JUMZBNRVNOIMPG-BXUZGUMPSA-N 278.783 3.594 30 20 CHED C(=NNc1cnc2ccccc2n1)c1cc2ccccc2[nH]1 788427342 JVAZICGAGKCWJM-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C#CCC1(C(=O)Nc2ccc(SC)nc2)CCCCC1 788201585 VWMCTSSOIVBDKR-UHFFFAOYSA-N 288.416 3.716 30 20 CHED CC(C)(C#N)CCCOC(=O)C=C(C1CC1)C1CC1 783079259 GDBNTHRPAOPGQV-UHFFFAOYSA-N 261.365 3.606 30 20 CHED CCCCCC(C)=NNc1nnc(-c2ccccn2)s1 788026896 HDSNOUVRLAOASW-UHFFFAOYSA-N 289.408 3.968 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cnc(Cl)c(C)c1 785853355 UAGHZVJBTPQEDW-LBPRGKRZSA-N 279.771 3.616 30 20 CHED C[C@@H](CCNC(=O)c1csc(C#N)c1)CC(C)(C)C 1128012715 CVTNDMXURURTHB-NSHDSACASA-N 278.421 3.812 30 20 CHED CC#CCCCC(=O)Nc1c(C(C)C)nc2ccccn12 887075047 SBERLXCPLRAWHW-UHFFFAOYSA-N 283.375 3.590 30 20 CHED N#Cc1ccc(NCc2cc(C3CC3)ccc2F)c(CO)c1 894017746 JXKVXQITLZRUGE-UHFFFAOYSA-N 296.345 3.679 30 20 CHED C=C(C)CCC(=O)NCc1ccccc1COC(C)C 1120574775 YEOIZVCKDQCLMK-UHFFFAOYSA-N 275.392 3.584 30 20 CHED C=C1CC(c2noc(C[C@H](C)c3ccc(OC)cc3)n2)C1 896883138 NSTCGTQDKZYEJH-LBPRGKRZSA-N 284.359 3.858 30 20 CHED Cc1cc(CNC[C@H]2CCC[C@@H](C)C2)ccc1C#N 1461109602 JKUMUUJNELRQCF-HIFRSBDPSA-N 256.393 3.783 30 20 CHED N#CCCNc1nc(C2CC2)nc2sc3c(c12)CCCC3 784612887 KNMBKTLPTYWOLL-UHFFFAOYSA-N 298.415 3.773 30 20 CHED COc1ccc2[nH]c3c(c2c1)CC(=NOCC(C)C)CC3 782227942 SNSPODDXXKPRKA-UHFFFAOYSA-N 286.375 3.694 30 20 CHED CC(=O)c1ccc(C(=O)OCCCC(C)(C)C#N)c(F)c1 784569540 GPALHGVFWHMSED-UHFFFAOYSA-N 291.322 3.515 30 20 CHED CC1CCC(=CC(=O)N(C2CC2)C2(C#N)CCC2)CC1 791005306 RIAKBSVMCQTOIW-UHFFFAOYSA-N 272.392 3.560 30 20 CHED C#CCOc1ccc(C(C)=NNc2cccc(Cl)n2)cc1 793175020 QLUWDWLMGMIYGI-UHFFFAOYSA-N 299.761 3.583 30 20 CHED C[C@@H](OC(=O)c1ccc2c(c1)CCC=C2)C(C)(C)C#N 793175988 BHYSZZDLZVVFRR-GFCCVEGCSA-N 269.344 3.741 30 20 CHED C=CCC1(C(=O)Oc2ccc3cccnc3c2)CCC1 791854488 FTKYKLDBVAETNQ-UHFFFAOYSA-N 267.328 3.887 30 20 CHED c1ccc2c3c(sc2c1)C(=NNc1cncnc1)CCC3 794977060 WYVWYHRBQSXQIL-UHFFFAOYSA-N 294.383 3.844 30 20 CHED C=CCCCCCN1CCCC2(CCN(C)CC2)C1 799178314 LVAWDYCMSUNGCX-UHFFFAOYSA-N 264.457 3.541 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CCC(F)(F)C1 795199063 DKFYPTKGVITEFL-GFCCVEGCSA-N 261.356 3.899 30 20 CHED C=C1CCC(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 893070914 YOFQPDSTFMOMNU-HOCLYGCPSA-N 261.409 3.914 30 20 CHED COc1cccc(NN=C2CCC[C@H]2CCF)c1 794887792 CYEUBKLCYXIIMU-NSHDSACASA-N 250.317 3.623 30 20 CHED CC(C)c1ccoc1C(=O)OCc1cc(F)ccc1C#N 792615133 IIQDBTNMIKBQQP-UHFFFAOYSA-N 287.290 3.771 30 20 CHED C#C[C@H](NC(=O)N[C@@H](CC)c1ccc(Cl)s1)C(C)C 798555941 WRLXCBGNVZDNOE-QWRGUYRKSA-N 298.839 3.810 30 20 CHED C=C(C)CCc1noc(-c2cccc(Cl)c2O)n1 795763596 AZVMMHAXBLLWFF-UHFFFAOYSA-N 264.712 3.604 30 20 CHED CC(=NNc1cccc(Cl)c1)c1ccnc(F)c1 794858400 HYNGMOOGJYZLKZ-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C(\C)Cc1ccccc1OC 798554556 RBZMEGFUYQEOQK-VUSFMPOISA-N 287.403 3.655 30 20 CHED CC[C@@H](C)CC(=O)OCc1ccc(C#N)cc1OC(F)F 791498145 LPFJTPXQXSFYHH-SNVBAGLBSA-N 297.301 3.639 30 20 CHED CCCCCCCCNC(=O)C(C)(C)CSC 799973850 BLDITZDGQKPNOA-UHFFFAOYSA-N 259.459 3.852 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(N2CCCC2)cc1O 793160016 SSRPQUXSZZDREV-CYBMUJFWSA-N 290.407 3.779 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)COc2cc(F)ccc21 794728489 RJQZZTFWSXGTKB-CLTKARDFSA-N 295.722 3.594 30 20 CHED COc1ccccc1CON=C1CC(C)(C)OC1(C)C 799120075 SVCQREBWARKNPK-UHFFFAOYSA-N 277.364 3.545 30 20 CHED CN(CC1CCCC1)c1nc2ccccc2cc1C#N 71390159 AWXAGCJLCMMJFN-UHFFFAOYSA-N 265.360 3.733 30 20 CHED Cc1ccc(F)cc1COc1ccc(C#N)c(F)c1 97857472 VRWXHEPFBUVNRM-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C[C@H](NC(=O)OCCc1ccccc1)c1cccc(C#N)c1 1213684489 BZSFIAGMSRPDFN-AWEZNQCLSA-N 294.354 3.588 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1ccc(C#N)cc1 93325489 LEKRGRWUBNQKET-UHFFFAOYSA-N 272.392 3.845 30 20 CHED C[C@H]1CCSCCN1Cc1ccc(Cl)cc1C#N 1307740917 WYGJFVGXZZKKMP-NSHDSACASA-N 280.824 3.539 30 20 CHED N#Cc1cc(Sc2ccc(F)c(Cl)c2)ccn1 1161998674 MNQJHVLYNHNXMS-UHFFFAOYSA-N 264.712 3.897 30 20 CHED COc1ccccc1C=NOCCOc1cc(C)ccc1C 1317703965 WLFBLNDEUWWLLM-UHFFFAOYSA-N 299.370 3.742 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc2cccc(OCC)c2o1 1321241794 RPGUZXPWQGJROM-JSGCOSHPSA-N 289.375 3.683 30 20 CHED C[C@H](Nc1cccc(CC#N)n1)[C@H](C)c1ccccc1 1320655996 NVVBXUOAMLYPCY-KBPBESRZSA-N 265.360 3.752 30 20 CHED C[C@@]1(C(=O)OCc2ccc(C#N)s2)CCc2ccccc21 1327193908 BUFSJKWXGTZIBD-QGZVFWFLSA-N 297.379 3.567 30 20 CHED C[C@@H](c1nnc(-c2ccc(C#N)cc2)o1)c1cccs1 1322324675 AAOFMVKXGHJQIE-SNVBAGLBSA-N 281.340 3.822 30 20 CHED N#Cc1cccc(-c2nnc(/C=C/c3ccccc3C#N)o2)c1 1322343164 OLNIAGVQVURWQE-CMDGGOBGSA-N 298.305 3.650 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)c1cccc(CC#N)n1 1320363621 FLWUEBYPEHVFJA-SFHVURJKSA-N 293.414 3.914 30 20 CHED Cc1cnc(CSc2cccc(F)c2C#N)s1 1189433681 WRKQQJPZLGHIEV-UHFFFAOYSA-N 264.350 3.755 30 20 CHED C=C[C@H](CC)CC(=O)NCCc1coc(-c2ccccc2)n1 1333183916 QGORMISBQVCLGB-CQSZACIVSA-N 298.386 3.603 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](C)c2cccc(O)c21 1338951401 XNLZSQXFWONARJ-LBPRGKRZSA-N 259.349 3.589 30 20 CHED Cc1ccc(-c2noc(-c3csc(C#N)c3)n2)cc1F 1332491833 BPXIFYGVSAGYRU-UHFFFAOYSA-N 285.303 3.784 30 20 CHED N#CC[C@H](OC(=O)C=C(C1CC1)C1CC1)c1ccco1 1345982525 RORBYSJCKBPQLS-HNNXBMFYSA-N 271.316 3.524 30 20 CHED Cc1ccc(C)c(/N=C(\O)c2cnn3c(C)cc(C)nc23)c1 211019 PEAFIJGKAFYUFB-UHFFFAOYSA-N 294.358 3.599 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)CCCC#N)c1cccs1 1519367080 PGEOMSWXSOVXFN-FZMZJTMJSA-N 276.361 3.576 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H](C)CC(C)C)c1 1525310950 WAIWQKIGEFSGDR-LBPRGKRZSA-N 258.365 3.878 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C#N)ccc1C 1456712165 JQFHHNNXSCGOKS-CXAGYDPISA-N 284.403 3.908 30 20 CHED Cc1cc2ccc(C(=O)Nc3cc(F)cc(C#N)c3)cn2c1 1454719698 RKGCLNRPZJIOQG-UHFFFAOYSA-N 293.301 3.511 30 20 CHED N#Cc1ccc(CSCc2ccc(C(=O)O)s2)cc1 1601103648 UZXBZDBMFLJUEZ-UHFFFAOYSA-N 289.381 3.751 30 20 CHED CC1(CNC(=O)Nc2cc(C#N)c(F)cc2F)CCCC1 1467187380 NUIZAJZOAGXGSM-UHFFFAOYSA-N 293.317 3.538 30 20 CHED CC(C)(C#N)c1ccc(-c2ccccc2CC(=O)O)cc1 1603230198 GPQPBGRVFGKLHD-UHFFFAOYSA-N 279.339 3.782 30 20 CHED N#Cc1cnc(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 1612344993 FIINQMLHUDKJQF-UKRRQHHQSA-N 299.324 3.980 30 20 CHED CCCOc1ccc(CN(CC)C[C@H](C)C#N)cc1C 1474376915 VQGHMIPZUUKFEE-CQSZACIVSA-N 274.408 3.765 30 20 CHED N#Cc1cnc(N2CCC[C@H]2/C=C\c2ccccc2)c(F)c1 1472892788 HLWUKCOWYDGYDV-QWGSZXSUSA-N 293.345 3.775 30 20 CHED N#Cc1cccc(OCCN2CC[C@H](C3CCCCC3)C2)c1 1619922132 BSYZCTCOHGGNKD-SFHVURJKSA-N 298.430 3.839 30 20 CHED CC(C)(C(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1624287753 QOXXBLKHTMAEOH-UHFFFAOYSA-N 282.318 3.614 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2Cc1cccc(C#N)c1F 1559591468 XDOVQTFRUNXCFW-CYBMUJFWSA-N 296.345 3.793 30 20 CHED C[C@H](CC#N)Nc1ccnc(-c2cccc(Cl)c2)n1 1639457292 VTLHQCRLJCVIKJ-SNVBAGLBSA-N 272.739 3.511 30 20 CHED N#CC1(CCN2CCC[C@@H](C3CC3)C2)CCCCC1 1645978674 MRAKGIJWSHSQAE-MRXNPFEDSA-N 260.425 3.973 30 20 CHED C=CC1(CC(=O)N[C@@H](CCCCC)C(=O)O)CCCCC1 1573351466 UHRHHOXYKONSSB-AWEZNQCLSA-N 295.423 3.663 30 20 CHED N#CCc1cccc(NC(=O)c2cnc3ccsc3c2)c1 1587609851 PMPMAMJELWGWML-UHFFFAOYSA-N 293.351 3.615 30 20 CHED N#Cc1cccc(C#N)c1NC[C@@H]1CCCc2ccccc21 1654955342 ONEQPIPSPHHENI-KRWDZBQOSA-N 287.366 3.962 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@@H](C)CCC[C@H]1C 1657353082 WIEZYTCIVIQWDS-DZGCQCFKSA-N 256.393 3.877 30 20 CHED CCc1ccc(C=NNc2cccc(C(=O)O)c2C)s1 1776086818 QGCMPDSHMOEFPC-UHFFFAOYSA-N 288.372 3.763 30 20 CHED C=CCc1cccc(CN(C)Cc2ccc(C(=O)O)cc2)c1 1776189359 RHOQDGGIXWXKKE-UHFFFAOYSA-N 295.382 3.745 30 20 CHED CCc1cc(C(=O)O)c(C=NN[C@@H]2CCCC2(C)C)s1 1776057201 NTZYUJNIWDLBGY-CYBMUJFWSA-N 294.420 3.511 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc(C3CC3)cc2)c1 1776037712 XDOCZJHMDKALLH-UHFFFAOYSA-N 280.327 3.708 30 20 CHED C=CCC(CC=C)C(=O)N(CC)c1nc(C)cs1 150937811 PXZLOUDONCAZSO-UHFFFAOYSA-N 264.394 3.573 30 20 CHED C[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C1CC1 161013919 CXFJJWYKVLLWPT-SNVBAGLBSA-N 297.383 3.666 30 20 CHED C=CCN(C)C(=O)CCc1ccc(-c2ccccc2F)o1 161436787 QSFGCLAUOZJNRN-UHFFFAOYSA-N 287.334 3.663 30 20 CHED C=CCN(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 161896802 LBMBMPVDFCDUEI-UHFFFAOYSA-N 283.396 3.772 30 20 CHED C[C@@H]1CCCN(c2nc(-c3cccc(C#N)c3)cs2)C1 158362235 HHIPYOSTKJANEO-GFCCVEGCSA-N 283.400 3.918 30 20 CHED C#CCCCCNC(=O)N[C@H]1CC(C)(C)c2ccccc21 151567851 MEHFMPVHTIVWKZ-INIZCTEOSA-N 284.403 3.512 30 20 CHED Oc1ccccc1/C=N/Cc1ccccc1CN1CCCC1 5335349 GAXVGXWOBHBNRX-XSFVSMFZSA-N 294.398 3.607 30 20 CHED C=CCCOCCN[C@@H](C)c1ccccc1Br 155638992 WAZUKAZWVJEMTG-LBPRGKRZSA-N 298.224 3.692 30 20 CHED C=C(C)CNC(=O)N(C)Cc1cccc(Cl)c1Cl 156388704 NWIWOUQJIGNXSU-UHFFFAOYSA-N 287.190 3.711 30 20 CHED CC(C)(C#N)CCCNc1ccccc1O[C@H]1CCOC1 154371209 AKONQNVWJYTWNF-AWEZNQCLSA-N 288.391 3.596 30 20 CHED C#CCCCCNC(=O)N1CC2(CCCC2)c2ccccc21 154909307 ZXCZBNXASWSYAT-UHFFFAOYSA-N 296.414 3.832 30 20 CHED C=CCC[C@@H](NC(=O)NC1CC=CC1)c1ccccc1 159371377 HIFLYLFJTGDXLE-MRXNPFEDSA-N 270.376 3.712 30 20 CHED Cc1ccc(C)c(CNc2ccc(CC#N)cc2)c1 42314292 RBEVEFDXLLFJBX-UHFFFAOYSA-N 250.345 3.982 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ccccc1[N+](=O)[O-] 161655143 BLRLFPLIBWERMQ-UHFFFAOYSA-N 288.690 3.699 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2ccccc2C#N)c1 37986982 HUHVSMHHRDLQNF-UHFFFAOYSA-N 254.245 3.567 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2ccc(C#N)cc2F)c1 38080699 XIRJOVYQFQGWDL-UHFFFAOYSA-N 272.235 3.706 30 20 CHED C=CCCC(C)(C)NCc1nc2c(s1)CCCC2 657805437 OUPVKTAJANFNKJ-UHFFFAOYSA-N 264.438 3.856 30 20 CHED Cc1cc(CNc2ccc(CC#N)cc2)ccc1F 50545353 ZJCMEHKFXGUADH-UHFFFAOYSA-N 254.308 3.812 30 20 CHED N#CCc1ccc(NC(=O)NC2CCCCCC2)cc1 298446630 GLCPGSBFVFRTFF-UHFFFAOYSA-N 271.364 3.597 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@@H](C)C1 194585006 ITQSBLLYDUSHOR-RISCZKNCSA-N 271.364 3.567 30 20 CHED CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 194907765 GMXCYZLGAORYAS-UHFFFAOYSA-N 292.382 3.999 30 20 CHED N#Cc1ccc(NC(=O)CCC2CCCC2)cc1F 307930077 BPNYKDWZWQFMJB-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CC[C@@H](Nc1ccc(C#N)c(C)n1)c1cccs1 311222430 VKTPBBSUORZZQH-GFCCVEGCSA-N 257.362 3.886 30 20 CHED CC[C@@H](C)[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N 78834688 QQMHFPGOQZBVKW-BDAKNGLRSA-N 271.286 3.819 30 20 CHED C[C@H](C1CCC1)N(C)Cc1ccc(C#N)cc1Cl 325636184 YRZOHBQPZSVYHO-LLVKDONJSA-N 262.784 3.832 30 20 CHED CCCCCCCN[C@H]1CCO[C@H](C(F)(F)F)C1 705927233 NCXLHQVOLWUJJF-RYUDHWBXSA-N 267.335 3.656 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cnn(-c2ccccc2)c1 384870876 QZVNDINXKYXYLT-AWEZNQCLSA-N 269.392 3.735 30 20 CHED C#C[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)(C)C 809781537 VLXBRXWNPSEFQQ-QRQLOZEOSA-N 298.474 3.677 30 20 CHED Cc1ccc(F)cc1CN1CCC(CCC#N)CC1 399354652 COHPMYLFLCTLDH-UHFFFAOYSA-N 260.356 3.650 30 20 CHED C=CCCCN1CCO[C@H](c2ccccc2Cl)C1 117879181 SADQJASARDKRJX-HNNXBMFYSA-N 265.784 3.680 30 20 CHED C=C(C)CNc1cc(F)c(F)cc1Br 307083812 KWBHTPITGAXVPK-UHFFFAOYSA-N 262.097 3.715 30 20 CHED CC(C)[C@@H](CC(=O)N(C)[C@H](C)CC#N)c1ccccc1 103441060 XSTOROWIJNZXFD-GDBMZVCRSA-N 272.392 3.577 30 20 CHED Cc1ccc(CN(C(=O)c2cccc(C#N)c2)C(C)C)s1 57400489 RWXOBMAKTWLXQI-UHFFFAOYSA-N 298.411 3.979 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(C)c2)c(OC)c1 111681844 PEWJYAVCWGKKPN-YFHOEESVSA-N 282.339 3.908 30 20 CHED CCCCO[C@H]1C[C@H](NCC(C)(C)CCC#N)C1(C)C 176985951 DYKWZZSXOFVVIY-GJZGRUSLSA-N 280.456 3.890 30 20 CHED CSc1ccc(C)c(C(=O)OCC2(CC#N)CC2)c1 174746150 CWYBNHYYPBQFFF-UHFFFAOYSA-N 275.373 3.568 30 20 CHED CC(C)CN(CCOc1ccc(C#N)cc1)C1CCCC1 110364206 PKQDZLFPPLAIJL-UHFFFAOYSA-N 286.419 3.838 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(O)cc1)CO2 63411979 VLDUWFQRWNXALW-ZROIWOOFSA-N 280.323 3.668 30 20 CHED Cc1ccc2oc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)cc2c1 116808756 PPYVPWUXZFXMBN-ACJLOTCBSA-N 296.370 3.944 30 20 CHED Cc1ccc(C[C@H](C)Nc2nnc(C)c(C)c2C#N)c(C)c1 301214000 WUNPMXIXDRRWTB-ZDUSSCGKSA-N 294.402 3.625 30 20 CHED N#CCSCCCN(CC1CC1)C1CCCCC1 173881029 FQLQEJMOVUAIQK-UHFFFAOYSA-N 266.454 3.678 30 20 CHED CS[C@@H]1CCC[C@@H](NCC(C)(C)CCC#N)C1 174406654 MZIWTCIJTRGZMQ-CHWSQXEVSA-N 254.443 3.580 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H](C)C1 186706084 AZGJOYHTIMKQSU-GFCCVEGCSA-N 271.364 3.521 30 20 CHED C=CC[C@H](C)NCc1ccc(OC)cc1Br 304613151 WBZCAMLWECMHFC-JTQLQIEISA-N 284.197 3.512 30 20 CHED C=CCC[C@H](Nc1ccc2nnc(C)n2n1)c1ccccc1 301787168 PKGKTTZAMTZAOI-HNNXBMFYSA-N 293.374 3.552 30 20 CHED C[C@@H]1C[C@@H](COc2ccc(C#N)c3ccccc23)CCO1 419055891 OWYZNCQROMMZCX-KGLIPLIRSA-N 281.355 3.905 30 20 CHED CO[C@H](C/N=C(/N)Nc1cccc(C(C)C)c1)C(C)(C)C 304691765 HMAJAIVYRNAUOU-OAHLLOKOSA-N 291.439 3.598 30 20 CHED CCc1ccc(N/C(N)=N/C[C@@H](C)c2ccccc2)cc1 303789008 UYPVXOCIPKXEAX-CQSZACIVSA-N 281.403 3.779 30 20 CHED Cc1ccc(C#N)c(N2CCc3c(cccc3C(C)C)C2)n1 302656359 ACWOTSGIZXTLMK-UHFFFAOYSA-N 291.398 3.948 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(CC)c1ccc(C#N)cc1 180795521 KZCGACSISGPACT-QWHCGFSZSA-N 258.365 3.593 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2cc(F)cc(C)c2C1 409634664 YBPMPXCNPOSBQR-HNNXBMFYSA-N 290.382 3.557 30 20 CHED Cc1cc(C(=O)OCC2(C#N)CCCC2)c2ccccc2n1 185377193 IPBWZTNKYRENPZ-UHFFFAOYSA-N 294.354 3.784 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 127621352 MNRUWOYRXYGYAT-SFHVURJKSA-N 291.354 3.743 30 20 CHED N#Cc1c(F)cccc1N1CCS[C@H](c2ccccc2)C1 301775784 GNAOAOIIWCWZCZ-KRWDZBQOSA-N 298.386 3.992 30 20 CHED C=CCCN(Cc1nc(C)c(C)o1)OCc1ccccc1 187383007 JLAMSWIPVXLQLM-UHFFFAOYSA-N 286.375 3.801 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](C)CCC 121360258 PQSKKXUXEOVXGC-HNNXBMFYSA-N 259.393 3.680 30 20 CHED CCCCCCCCCNC(=O)Nc1cc(C)on1 122756310 OYKKLQSIGGJJRF-UHFFFAOYSA-N 267.373 3.855 30 20 CHED CN(Cc1ccc(C#N)s1)CC1(c2ccccc2)CC1 188714424 RBZBOGSZAROQAU-UHFFFAOYSA-N 282.412 3.783 30 20 CHED C=CCCC1(C(=O)Nc2cc(Br)ccn2)CC1 415633038 PRPOYAUOKSLRIZ-UHFFFAOYSA-N 295.180 3.529 30 20 CHED COc1ccc([C@H](C)N(C)Cc2ccccc2C#N)cc1 30002434 XLQRHVZKPPQCIZ-AWEZNQCLSA-N 280.371 3.760 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(F)cc2)ccc1O 35326388 FLEXIXWMROKGLV-XBXARRHUSA-N 256.276 3.736 30 20 CHED C#CCSc1nnc(-c2ccc(Cl)cc2)n1CC=C 39762634 NIJUDKHYFFHGMT-UHFFFAOYSA-N 289.791 3.510 30 20 CHED C#CCCCCC(=O)N(Cc1ccccc1)c1ccccn1 120497678 PZRSDTNOHNVOEP-UHFFFAOYSA-N 292.382 3.808 30 20 CHED CC(C)(C#N)CCCSCCn1cc(Cl)cn1 419593104 SPJYGQKJUMXMNK-UHFFFAOYSA-N 271.817 3.600 30 20 CHED CC[C@@H](CC#N)NCc1ccc(-c2ccccc2)o1 184083134 AREFPKRQWMLXNB-AWEZNQCLSA-N 254.333 3.728 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc2cc(C)c(C)cc2o1 187916691 LPYATLCMAPIJNN-CYBMUJFWSA-N 271.316 3.899 30 20 CHED FC(F)(F)CN(CC#Cc1cccc(Cl)c1)C1CC1 126080427 AIMHSUPXGMRADU-UHFFFAOYSA-N 287.712 3.718 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 410627149 RZTUPCDUCLMBRU-ACJLOTCBSA-N 299.418 3.716 30 20 CHED COc1cccc([C@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])c1 315388025 KTNLDZPXHWOCTF-NSHDSACASA-N 297.314 3.648 30 20 CHED C=CCN(C)C(=O)c1ccc(-c2ccccc2)s1 186136254 XRSBIZAFAGJCIU-UHFFFAOYSA-N 257.358 3.673 30 20 CHED C=CCN(C(=O)Cc1cc(F)ccc1OC)c1ccccc1 186654368 BLINSUUVEOOFEE-UHFFFAOYSA-N 299.345 3.596 30 20 CHED C=C[C@@H](CC(=O)N[C@H]1C=CCCC1)c1ccccc1 127017860 NADPATGRICEZHV-HOCLYGCPSA-N 255.361 3.571 30 20 CHED CCC[C@H](C)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 75298560 PRDRHBOHLGFZFA-BHYGNILZSA-N 284.403 3.721 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N[C@@H](C#N)C(C)(C)C)C1(C)C 410876196 GZWZOQOIIAAXRZ-MKBNYLNASA-N 264.413 3.503 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N(C)[C@H](C)C#N 410882824 KEXUADJYRFDRQH-HIFRSBDPSA-N 264.413 3.599 30 20 CHED C[C@H](c1cc(F)ccc1F)N(C)CCCSCC#N 74981906 MXPAXTJRIQSZIV-LLVKDONJSA-N 284.375 3.604 30 20 CHED C=CCCCNC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 503362413 QHUUFXKLCUKKKO-UONOGXRCSA-N 266.429 3.809 30 20 CHED N#Cc1cccc(NC(=O)c2scnc2C2CCCC2)c1 183692444 LGBOMZAJJQZLMP-UHFFFAOYSA-N 297.383 3.925 30 20 CHED N#Cc1ccc(N2CC[C@H]2c2ccc(Cl)cc2)nc1 78462202 TWZFXUXRKNPLJT-AWEZNQCLSA-N 269.735 3.558 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OC)cc1OC(C)C 189963208 SGQGKVZBJAYRGL-UHFFFAOYSA-N 291.391 3.521 30 20 CHED C#CCC(C)(C)C(=O)N(C)Cc1ccccc1C(F)(F)F 184993792 XIIDFDNCSFJKLJ-UHFFFAOYSA-N 297.320 3.713 30 20 CHED CC(C)CC1(C(=O)Nc2cnc(C#N)c(Cl)c2)CCC1 411026720 DTEAVXLAILPJQC-UHFFFAOYSA-N 291.782 3.762 30 20 CHED CC1(C[S@](=O)Cc2ccc(CC#N)cc2)CCCCC1 414289068 VRCNKLDPLMRGDK-HXUWFJFHSA-N 289.444 3.972 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc21 412841250 OQBMOIBLBUHCFK-HKUYNNGSSA-N 291.394 3.630 30 20 CHED C#CCCCC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 192250456 GIUZAVQAQWDMKV-UHFFFAOYSA-N 297.358 3.602 30 20 CHED CCCCCCCCS(=O)(=O)Cc1cccc(OC)c1 190902352 FOQAJQQKWGYLCY-UHFFFAOYSA-N 298.448 3.971 30 20 CHED C#CCCCC(=O)O[C@@H](c1ccccc1)c1nccs1 190562851 HVNPLUCBXXBRNH-HNNXBMFYSA-N 285.368 3.579 30 20 CHED N#CCCN(Cc1cccnc1)Cc1cscc1Cl 611251365 RSQUEJJJFDLZNJ-UHFFFAOYSA-N 291.807 3.712 30 20 CHED C=CCNC(=O)c1csc(-c2ccc(Cl)cc2)c1 428003994 DWDWYNSSZZIOLJ-UHFFFAOYSA-N 277.776 3.984 30 20 CHED C#CCCCCC(=O)Nc1cc2c(cc1Cl)CCC2=O 191817921 AQHAMDKPPOQUIP-UHFFFAOYSA-N 289.762 3.601 30 20 CHED Cc1cccc(CC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1 80453142 NYTCPALHPZKAAH-CQSZACIVSA-N 298.411 3.994 30 20 CHED Cc1ccsc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 41546273 YJFGNTSMRXBLRL-SNVBAGLBSA-N 282.324 3.688 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C#N)c1ccccc1Cl 425572943 QUWDQAZSKKRASG-ZDUSSCGKSA-N 276.767 3.623 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(OCCCC#N)c1 424602794 NPXUPCODMWRIDS-UHFFFAOYSA-N 286.375 3.910 30 20 CHED C=CCCC(=O)N[C@H](C)c1c(F)cccc1Cl 81382326 FCORKDXPOBZBDT-SECBINFHSA-N 255.720 3.623 30 20 CHED CCCCCCCC(=O)N(C)C(C1CC1)C1CC1 139465116 CTIVWZXIUWHSEO-UHFFFAOYSA-N 251.414 3.994 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc(Cl)s1 44464450 KROJYBHJBNILGE-UHFFFAOYSA-N 271.813 3.759 30 20 CHED N#Cc1ccc(N2CCC[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] 226107685 JTFUSESGLOSRLW-IUODEOHRSA-N 285.347 3.625 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 424791180 YCFWUTDKERXWCB-LBPRGKRZSA-N 293.357 3.883 30 20 CHED CC1(C)[C@H](N[C@@H]2CC[C@H](C#N)C2)C[C@@H]1c1ccccc1 424332863 TWSLPYGRGNLUSS-RKTXRCNFSA-N 268.404 3.851 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)C 45403955 LGAUZQWAVCPTAP-UHFFFAOYSA-N 272.392 3.733 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2cccnc2)c(C)c1 192089319 NAOJUUBPKMDGNM-UHFFFAOYSA-N 294.354 3.924 30 20 CHED Cc1cc(OCCCCC2CCOCC2)ccc1C#N 499986121 BIIAVYKCNILKIC-UHFFFAOYSA-N 273.376 3.842 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1Cc1ccccc1Cl 191961123 KPOFKGODQNICGI-HNNXBMFYSA-N 289.806 3.677 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 513288214 ZZQOXDHMMSYVHP-WCQYABFASA-N 290.794 3.910 30 20 CHED CSC1(CNc2snc(C)c2C#N)CCCCC1 235230973 DVLPEWZTRQUBLT-UHFFFAOYSA-N 281.450 3.801 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(-c2ccc(Cl)cc2)no1 143129809 ZXIYFKKYWOEBMT-NSHDSACASA-N 289.766 3.586 30 20 CHED Cc1ccccc1CNCc1ccc(O[C@@H](C)C#N)cc1 237702835 KRXXOLLLWCMONG-HNNXBMFYSA-N 280.371 3.576 30 20 CHED COc1cc(CN[C@H](C)c2cc(C)oc2C)ccc1C#N 234949664 GKUPFTZGIOBUSE-GFCCVEGCSA-N 284.359 3.628 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C(C)=O)c(C)c1 425234258 YOKUCGAZJJNPQN-UHFFFAOYSA-N 259.349 3.738 30 20 CHED C[C@H](NCc1ccc2c(c1)CCCN2)c1cccc(C#N)c1 423438704 HDPAEMZAWLFOCO-AWEZNQCLSA-N 291.398 3.767 30 20 CHED Cc1csc(NC(=O)N2CCCC(C)(C)CC2)c1C#N 515008108 DJHXBIIVWYVZMG-UHFFFAOYSA-N 291.420 3.972 30 20 CHED C=CCCCC(=O)Nc1cccc(NCC(F)(F)F)c1 425274727 AGIBOBMIDFTFDP-UHFFFAOYSA-N 286.297 3.956 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@@H](N(C)C)C1)c1ccco1 514805017 ITTRZIJDBMBAEC-XHSDSOJGSA-N 276.424 3.749 30 20 CHED Cc1c(C(=O)N(C)[C@H](C)CC#N)[nH]c2c(Cl)cccc12 334802663 GZBCFUHRWLMSSJ-SECBINFHSA-N 289.766 3.504 30 20 CHED C=C(C)COCCN[C@H]1CCCOc2c(Cl)cccc21 90451087 QQALDCGYPJCYJC-HNNXBMFYSA-N 295.810 3.736 30 20 CHED C[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)CCS1 617221893 YOEBEYZWMDJVNY-GFCCVEGCSA-N 289.448 3.583 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)oc2C)c(Cl)cc1F 335995863 BMONSTJLGBEORB-UHFFFAOYSA-N 292.697 3.813 30 20 CHED CCCN(CC#N)Cc1ccc(F)c(Cl)c1Cl 432744158 FESKABWDJYDCNZ-UHFFFAOYSA-N 275.154 3.868 30 20 CHED CC(=O)c1ccccc1OCCSc1ccc(C#N)cc1 521672414 NQAVNBXPEYCGJO-UHFFFAOYSA-N 297.379 3.932 30 20 CHED C=CCCCCN[C@H](Cc1ccccn1)c1cccnc1 349399117 BZFVHAMBXQZPSP-GOSISDBHSA-N 281.403 3.706 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1C[C@@H]1C(F)F 348253786 FLYGHIIBZDCBEL-KKUMJFAQSA-N 276.330 3.569 30 20 CHED CCc1ccc([C@H]2CCN(c3cc(C#N)ccn3)C2)cc1 431507662 OEYMEFOKVKUUAN-KRWDZBQOSA-N 277.371 3.510 30 20 CHED C=CCN(Cc1c(Cl)cnn1C)CC1CCCCC1 438118752 IIOKTLWGWHYCFZ-UHFFFAOYSA-N 281.831 3.642 30 20 CHED C[C@@H](CCNC(=O)N1CCC(CC#N)CC1)CC(C)(C)C 525956314 PWOKHHYYSXIGEL-AWEZNQCLSA-N 293.455 3.784 30 20 CHED Cc1ccc([C@H](NCCC#N)c2ccccc2)cc1 341797649 FWMMDILUZZYFAE-QGZVFWFLSA-N 250.345 3.588 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)[C@H](C)C1CCCCC1 437911454 OIYGADDGMRLCFD-RLFYNMQTSA-N 295.467 3.936 30 20 CHED CC(C)CCNC(=O)Nc1ccc(OC(C)C)c(C#N)c1 435555099 CSUGGRLIKPAPFA-UHFFFAOYSA-N 289.379 3.513 30 20 CHED CCOc1c(Cl)cc(C=NOCC2CC2)cc1OC 255149345 JYDFPUUBOFUDCV-UHFFFAOYSA-N 283.755 3.508 30 20 CHED CCN(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 343074664 WLKRNIMFOHIZHO-UHFFFAOYSA-N 294.354 3.637 30 20 CHED COc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)c(OC)c1 255635115 WRAMNDWYPNHKPP-MDWZMJQESA-N 298.313 3.665 30 20 CHED CSc1ccccc1Cn1nc(C#N)c2ccccc21 432457648 RIPPGZUGNLFLMC-UHFFFAOYSA-N 279.368 3.678 30 20 CHED C=CC1CCN(C(=O)[C@@H](CC)Cc2ccccc2)CC1 601988147 CVAPGKREPMSNGA-KRWDZBQOSA-N 271.404 3.680 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@H](C)Cc2ccccc2C)n1 528907197 GSQAOZQMJIUYLA-DOMZBBRYSA-N 298.411 3.815 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(SC)c(F)c1 449549551 YZEPQDHHVRYWGD-DFBGVHRSSA-N 295.423 3.932 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1 255513880 DPBDLQGQKPBVMI-ALCCZGGFSA-N 287.746 3.778 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cccc(C#N)n2)o1 602488098 ZFYYSLOJHOLEMO-SUMWQHHRSA-N 295.386 3.828 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1CC1(CC#N)CC1 602776652 AFVLFKJPNVJMCY-HOCLYGCPSA-N 254.377 3.558 30 20 CHED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1OCC(F)F 442888977 IKWDJNRRHLKBHY-VXGBXAGGSA-N 280.318 3.743 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1cc(F)cc(F)c1 255426509 AXSGUJKEIXWQRD-PLNGDYQASA-N 290.313 3.882 30 20 CHED C=C(C)CSCC(=O)NCCc1ccc(C(C)C)cc1 447024705 AJPRJVFFGPISPG-UHFFFAOYSA-N 291.460 3.778 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc2c(F)cccc2c1 352520263 WSQUMVCUXUKGFD-UHFFFAOYSA-N 286.350 3.706 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccnc(-c2ccccc2)c1 354782847 IIGPQINXIHZVIM-AWEZNQCLSA-N 294.358 3.562 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(C)c(O)c2)CCCC1(C)C 444647747 WBIMQZDFTYCBFO-INIZCTEOSA-N 287.403 3.908 30 20 CHED Cc1cccnc1CSc1nc2c(c(C)c1C#N)CCC2 538951837 LXFXUJYTRDFTSY-UHFFFAOYSA-N 295.411 3.746 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)c1ccc(F)c(F)c1 532344218 ILFHKQJNPXMOSP-UHFFFAOYSA-N 276.261 3.612 30 20 CHED CCCN(CC)Cc1ccc(C#N)cc1Br 350812059 LULNGSKLKCWUMN-UHFFFAOYSA-N 281.197 3.553 30 20 CHED CC[C@@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 446841425 PNILDUCQMXASOO-CQSZACIVSA-N 297.320 3.811 30 20 CHED N#Cc1cccc(N[C@H]2CCc3sc(Cl)cc32)n1 357601923 DVJUJYHOAMJZND-JTQLQIEISA-N 275.764 3.768 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 359371771 FEYVKVYPTIBTRD-ARFHVFGLSA-N 274.408 3.521 30 20 CHED N#C[C@H]1N(CCCC2CCCC2)CCC[C@@]12CCCCO2 447915991 TWHJYLXPJZWUIS-MSOLQXFVSA-N 290.451 3.884 30 20 CHED C=CCCNc1cccc(COCCOCC)c1C 266778742 URFKTLHWJZMKBF-UHFFFAOYSA-N 263.381 3.536 30 20 CHED CC1(C#N)CCC(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)CC1 449100469 RCDKGAQZCQKMSR-SXQVYANMSA-N 272.436 3.873 30 20 CHED C=CCCCNC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F 448029165 GFGNBNXGXWLORU-NEPJUHHUSA-N 292.345 3.621 30 20 CHED CC(C)c1ccc(CCNC(=O)c2cc(C#N)cs2)cc1 531213359 PYLSVCOIGRILLN-UHFFFAOYSA-N 298.411 3.716 30 20 CHED Cc1ccc(C#N)nc1N1CCC(Cc2ccccc2)CC1 611398730 RXVHDLCPPZYFNP-UHFFFAOYSA-N 291.398 3.721 30 20 CHED CC(C)(C)Oc1ccccc1N[C@@H]1CC[C@H](C#N)C1 442851472 DYIIXLPJOLTZPC-QWHCGFSZSA-N 258.365 3.968 30 20 CHED CC(C)Oc1ccccc1[C@H](C)NCCCSCC#N 539223704 KBLLJTFIFBTJSK-AWEZNQCLSA-N 292.448 3.771 30 20 CHED C[C@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)c1cccs1 618789535 KBEWDKQATLNETR-NHYWBVRUSA-N 296.395 3.527 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc3oc(C(C)C)nc3c2)C1 532074472 YAVAXXQDACWFBU-UHFFFAOYSA-N 297.358 3.830 30 20 CHED C[C@H](CN(C)Cc1ccc(OCC#N)cc1)c1ccccc1 264544294 IQTKQWZLOCXCAV-MRXNPFEDSA-N 294.398 3.824 30 20 CHED Cc1cc(CN[C@@H]2C[C@H]2Cc2ccccc2)ccc1C#N 443982665 DPIYUBNEOGUBNT-RTBURBONSA-N 276.383 3.588 30 20 CHED CC1(C)CCC[C@@H]1NCCSCc1ccccc1C#N 539075328 CQMWZYZIPVERRQ-INIZCTEOSA-N 288.460 3.960 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)CC[C@H]1C 351158455 CAADREHNTWJKLU-BFHYXJOUSA-N 276.428 3.602 30 20 CHED C=CCOc1ccc(CNCC2(C)CC2)cc1Cl 530729281 QYVFRVCDIZIBSF-UHFFFAOYSA-N 265.784 3.795 30 20 CHED C[C@H]1CC(C(=O)N[C@H](C)c2cccc(C#N)c2)C[C@H](C)C1 611540505 OSNQFEJDBUCQSB-MGPQQGTHSA-N 284.403 3.808 30 20 CHED CCc1ccsc1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618787000 ZOMTXNRLNYGYHF-HNNXBMFYSA-N 296.395 3.599 30 20 CHED C=CCC(C)(C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 453260752 RGHIIULFFGNRPI-UHFFFAOYSA-N 287.319 3.807 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1ccccc1C 455525193 QPVROWBYLWMHRY-MRXNPFEDSA-N 272.392 3.808 30 20 CHED C=CCC[C@@H](NC[C@](C)(CC)OC)c1ccco1 453291877 BZJWRSVNTORHEI-HIFRSBDPSA-N 251.370 3.692 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCc1cscn1 360646099 HCLDBGHGERBJNG-QGZVFWFLSA-N 297.427 3.615 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(Cl)cc(OC)c2)C1 617778366 DXYBDDNCIURKKL-LBPRGKRZSA-N 293.794 3.777 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2ccc(C#N)c(F)c2)C1 362284882 HDWQLXFOFVUIMI-PJXYFTJBSA-N 274.339 3.708 30 20 CHED N#CCCN1Cc2ccccc2C[C@H]1c1ccccc1 266542054 HADCSRHODMHBHM-SFHVURJKSA-N 262.356 3.700 30 20 CHED CCCN(Cc1cc(C#N)n(C)c1)[C@@H]1CCc2ccccc21 361492909 NPEKSVDSUNXKMB-LJQANCHMSA-N 293.414 3.796 30 20 CHED CCN(C(=O)C[C@H]1C[C@H]1C)c1ccc(C#N)c(Cl)c1 361960494 BDWVECRHBWOATD-ZYHUDNBSSA-N 276.767 3.611 30 20 CHED CC(C)N(Cc1cccnc1)Cc1ccc(C#N)c(F)c1 361866664 WEJGDTKUXKTVLZ-UHFFFAOYSA-N 283.350 3.503 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c(C)[nH]1 613292704 PUAWBHBEPHLKHP-HNNXBMFYSA-N 289.338 3.670 30 20 CHED CO[C@@H]1CCCC[C@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 360656520 IJOPIKHKBADNCZ-GUDVDZBRSA-N 298.430 3.873 30 20 CHED C=C[C@@H](CC(=O)N[C@@]1(C)CC=CCC1)c1ccccc1 458327216 BSKRLJIPSCIUKV-YJBOKZPZSA-N 269.388 3.961 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N1CCC[C@@]3(CCSC3)C1)CC2 453345584 FHUYFMDSJOSKQR-ZWKOTPCHSA-N 298.455 3.765 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)c1cccc(F)c1C#N 452541963 MQIVMVIJJQEVNZ-GFCCVEGCSA-N 274.339 3.562 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccc(Cl)cc1 451604881 IWURIRNEIPFVAC-KFWWJZLASA-N 265.784 3.724 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 610169431 YWBLCZYWZOYLNU-SECBINFHSA-N 274.707 3.547 30 20 CHED C=C(CC)CNC(=O)c1cn(CCCC#N)c2ccccc12 456815841 ZJWOJBOSBOVYQA-UHFFFAOYSA-N 295.386 3.641 30 20 CHED CC(C)C[C@H]1C[C@@H](Nc2ccc(C#N)cc2)CCO1 272012891 NHAROAPUVONTGG-HOTGVXAUSA-N 258.365 3.564 30 20 CHED C=C(C)CCNC(=O)[C@H](C)CCCc1ccccc1 452721222 YYQRENZCTGLHIR-OAHLLOKOSA-N 259.393 3.728 30 20 CHED C=CCNc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1C 362428772 CUPWZDIHEDACGW-OKILXGFUSA-N 286.419 3.711 30 20 CHED N#Cc1cccc(/C=C\c2nc([C@H]3Cc4ccccc43)no2)c1 546993775 DUYFOQBKCBAORG-JJEJIETFSA-N 299.333 3.800 30 20 CHED Cc1nc([C@H]2CCCCN2CCCCC(C)(C)C#N)no1 369001740 NJOOSCRWCHTPLK-CQSZACIVSA-N 290.411 3.625 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 270364426 ZSRJJPFMGLKEMT-RHSMWYFYSA-N 284.403 3.793 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 456279993 MMUQAUZFFNPONL-ROUUACIJSA-N 297.398 3.512 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(Cl)c1OC 276188644 WMSOLALDEFQZRY-CQSZACIVSA-N 267.756 3.889 30 20 CHED CCn1c(S[C@@H]2CC[C@@H](C#N)C2)nc2ccccc21 278547839 KWOJBQBMPVNCFZ-VXGBXAGGSA-N 271.389 3.841 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 276042680 GHIJDNSVHWRQNE-AWEZNQCLSA-N 260.381 3.582 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C 375873762 NXMLGROFVNEWBQ-QGPMSJSTSA-N 284.403 3.721 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@](C)(CC)C1 466317268 IUKXJUAWIKCGGR-ZFWWWQNUSA-N 252.402 3.563 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)ccc1SC 289207467 PNVCILVCKSMLCK-ZDUSSCGKSA-N 282.796 3.940 30 20 CHED C=CCCCCCCNC(=O)N(CC)Cc1ccccn1 287316947 LJKOXTNKCHLECF-UHFFFAOYSA-N 289.423 3.750 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(N(C)C)cc2)no1 554784591 OSHIYTMBERUIST-INIZCTEOSA-N 271.364 3.656 30 20 CHED C=CCC[C@@H](NCC1(O)CCCCC1)c1ccco1 552252237 GKHGTYIGFGKRIA-CQSZACIVSA-N 263.381 3.572 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 468144660 BRLXRCPJNRGTQI-KRWDZBQOSA-N 291.354 3.599 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C)oc1C 280713365 DTMHLBDJQKPWEE-NOLJZWGESA-N 263.381 3.528 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cccc2c1OCCC2 466392077 NZKIVSNYGQUZSN-LBPRGKRZSA-N 259.349 3.552 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@H](C)C[C@H]1CC 460934345 RVLFYCCDINJDNW-ZIAGYGMSSA-N 276.428 3.602 30 20 CHED CC(C)(C#N)CCN1CC[C@@H](c2cccc(F)c2)C1 557966182 LXMLLUVKZUYKEO-CQSZACIVSA-N 260.356 3.555 30 20 CHED C#CCCCc1nc(C2(c3cccc(OC)c3)CCC2)no1 289055353 HWKLXYSBJCSVPI-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=CCCCCN[C@H](C)CC(=O)Nc1cccc(C)c1C 471610720 ICGIWPNRABAHEE-OAHLLOKOSA-N 288.435 3.966 30 20 CHED C=C(Cl)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 804225583 MHQQNKJRZVMMNU-UHFFFAOYSA-N 297.738 3.802 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1cccc(Cl)c1 558474982 WSUYNGXGIQSXMO-UHFFFAOYSA-N 279.811 3.991 30 20 CHED C#C[C@@H](NC(=O)c1c(C)oc2ccc(OC)cc12)C(C)(C)C 807881257 DOLLFLMWLBCACD-OAHLLOKOSA-N 299.370 3.528 30 20 CHED C#C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1F 804423813 ZKRVKWFBLYCEQT-ABAIWWIYSA-N 291.753 3.626 30 20 CHED C=C[C@H](CC(=O)OCC1CC(OCC)C1)c1ccccc1 802944347 CUDFDAPHFGNSDK-ISXOHVOVSA-N 288.387 3.705 30 20 CHED C=CCC1(C(=O)Nc2cccc3c(O)nccc23)CCC1 567697614 WQBDDERJLWUTEU-UHFFFAOYSA-N 282.343 3.625 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(SC)s1 565591694 VVNAMRDEDGLNQD-SMDDNHRTSA-N 283.462 3.541 30 20 CHED C=CCN(C(=O)C(C)(C)c1ccc(CC)cc1)C1CC1 564298573 STPZWTWBJRXZKB-UHFFFAOYSA-N 271.404 3.704 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ccc(Cl)nn1 807945099 COQMRJLYBIBMDL-SECBINFHSA-N 254.765 3.744 30 20 CHED C[C@H]1/C(=C/c2cccc(C#N)c2)C(=O)c2ccccc21 809158920 FSGDDPRANBMYCY-HJPCULJESA-N 259.308 3.942 30 20 CHED C[C@H]1CC(=NNc2cnc3ccccc3n2)c2ccccc21 807967714 ALRHPHDQAQFAKT-LBPRGKRZSA-N 288.354 3.953 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2c[nH]c(C(F)(F)F)c2)cc1 806564348 ABPPBOYEYFTHOS-UTCJRWHESA-N 290.244 3.801 30 20 CHED C=CCCCCCCNC(=O)N1CCc2ccccc21 805104963 FWTBGRJEJHIFAJ-UHFFFAOYSA-N 272.392 3.895 30 20 CHED C=CCN(CCCc1cnccc1C)CCc1ccco1 290492213 WBEXQDAAFSAGJR-UHFFFAOYSA-N 284.403 3.646 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H]1CCS[C@H]1C 646395317 WMVSITOGLNXZKF-GXTWGEPZSA-N 290.432 3.821 30 20 CHED N#Cc1sc(NCCCc2cccs2)nc1Cl 804588019 KZRUDPDBSWKDPN-UHFFFAOYSA-N 283.809 3.774 30 20 CHED C=CCCCC(=O)NCCSCc1ccc(C)cc1 479541986 NEWMXLQBHUGTFV-UHFFFAOYSA-N 277.433 3.701 30 20 CHED C=CCCCNc1cc(Cl)c(F)c(C(=O)OC)c1 479480015 LAKWCXADTXGZPW-UHFFFAOYSA-N 271.719 3.644 30 20 CHED C=CCCCCCCNC(=O)c1cc(Cl)c[nH]1 805219180 ZZEHOQBSJQOUOK-UHFFFAOYSA-N 254.761 3.534 30 20 CHED CCN(CC1CCC1)C(=O)Nc1scc(C)c1C#N 566419613 WJESMUWSZONWRN-UHFFFAOYSA-N 277.393 3.582 30 20 CHED Cc1ccc(-c2cnn(Cc3cccc(F)c3C#N)c2)cc1 488257810 XGCGWZYISMQHBE-UHFFFAOYSA-N 291.329 3.918 30 20 CHED CON=Cc1ccc(-c2nc(-c3sccc3C)no2)cc1 810316283 WGKZYLZEPITTLN-UHFFFAOYSA-N 299.355 3.754 30 20 CHED CCc1ccc(N(C(=O)c2ccc(C#N)cn2)C(C)C)cc1 813260596 JPHNSLXNRYSORR-UHFFFAOYSA-N 293.370 3.571 30 20 CHED N#CCCCC(=O)O[C@H]1CCc2cc(Cl)ccc21 812618253 NGYKDRCBUBBDOO-ZDUSSCGKSA-N 263.724 3.564 30 20 CHED Cc1cc(C#N)cnc1C(=O)O[C@@H](C)c1c(C)cccc1C 815999814 REDQAWZVDWNMIF-AWEZNQCLSA-N 294.354 3.797 30 20 CHED CCCCCC[C@@H](CC)C(=O)N[C@H](C#N)C(C)C 813123404 XRDAWKWHHCGSIY-ZIAGYGMSSA-N 252.402 3.647 30 20 CHED COc1ccc([C@H](C)C(C)=NN[C@@H](C)c2ccncc2)cc1 819815503 ACWRIPSRGUNMIZ-HIFRSBDPSA-N 297.402 3.920 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@@H](Cc3ccccc3)C2)C1 576125561 PDAJQDQMWSSBHV-FGTMMUONSA-N 268.404 3.633 30 20 CHED CC(=NN[C@H](C)COc1ccccc1)c1cccs1 811667219 QBJLIVKBTIQSNB-GFCCVEGCSA-N 274.389 3.529 30 20 CHED C=C(C)CCOC(=O)c1cccc(F)c1Br 814506736 DYTOEDOWWZSVJI-UHFFFAOYSA-N 287.128 3.711 30 20 CHED COc1ccc(C[C@@H](C)C=NOC/C=C\Cl)cc1F 811671849 LBVOAIQDPMRQSB-NTLQZIMXSA-N 285.746 3.768 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)c(C)c1 485569486 NVXXHCGXUVGEPO-HNNXBMFYSA-N 258.365 3.876 30 20 CHED C#Cc1ccccc1CC(=O)O[C@@H]1CCc2ccc(F)cc21 810606910 WDMFWDJDDWSQMW-GOSISDBHSA-N 294.325 3.580 30 20 CHED N#Cc1cccc(COC(=O)[C@@H]2CC3CCC2CC3)c1F 814492592 DKODUKOHJRBSFV-KOHJWAIASA-N 287.334 3.567 30 20 CHED C=CCCNCc1cc(C)c(C)cc1OC(F)F 657582992 RFCGLFKHKPEHGF-UHFFFAOYSA-N 255.308 3.571 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c(Cl)c1 486788086 NYACPKHQXXYAHX-GFCCVEGCSA-N 294.782 3.921 30 20 CHED C=CCCCCCN(C)c1nnc(-c2ccccn2)n1CC 579809459 AGGQFFJIZFWBMR-UHFFFAOYSA-N 299.422 3.543 30 20 CHED COCC(Cc1ccccc1)=NNc1c(F)cccc1F 814852928 UTBPZNIJARZHAL-UHFFFAOYSA-N 290.313 3.622 30 20 CHED CCOc1ccc(N(C)C(=O)Nc2cccc(C#N)c2)cc1 811805009 DVZLEUXEIGKDAD-UHFFFAOYSA-N 295.342 3.625 30 20 CHED CCS[C@@H]1CCCCN(Cc2ccc(C#N)c(C)c2)C1 487908768 LZHBUUMXPVUVIY-QGZVFWFLSA-N 288.460 3.974 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@]1(C#N)CC1(C)C 813301101 YDKWADKQZMFPHR-BBRMVZONSA-N 264.413 3.791 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1cccc(CO)c1 814862362 LGEJXBHMTQSTDA-UHFFFAOYSA-N 292.741 3.808 30 20 CHED C/C(=C/C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 728180783 FETZCDYDXOZUHM-XFXZXTDPSA-N 280.302 3.739 30 20 CHED N#Cc1cc(F)ccc1CN(CC1CCC1)CC1CC1 483283916 JQQMPOKJQVXIMH-UHFFFAOYSA-N 272.367 3.709 30 20 CHED C#Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)cn1 728817196 HDNNELSMKLCWPD-WMLDXEAASA-N 298.430 3.645 30 20 CHED Cc1cccc(N(C)Cc2ccc(OCC#N)cc2)c1C 729268058 JDLIQBZWFFNNJG-UHFFFAOYSA-N 280.371 3.842 30 20 CHED CC(=NNCCCc1ccccc1)c1cccs1 729147991 LRAOZVUJCKIHHR-UHFFFAOYSA-N 258.390 3.695 30 20 CHED N#Cc1ccc(/C=C2/Oc3ccc(Cl)cc3C2=O)cc1 729149797 GPZMFARTEMARRR-VIZOYTHASA-N 281.698 3.828 30 20 CHED C=C(Br)COC(=O)C[C@@H](C)CC(C)C 727879928 BMCOOESICAJURS-VIFPVBQESA-N 263.175 3.511 30 20 CHED Cc1cccc([C@@H](Nc2cc(C#N)ncn2)C(C)(C)C)c1 579068229 FGULQZKKMHVTPZ-MRXNPFEDSA-N 280.375 3.856 30 20 CHED C[C@@H](C#N)Oc1ccc(C=NOCc2ccccc2)cc1 727684404 XFCLXRDSYCFAQA-AWEZNQCLSA-N 280.327 3.528 30 20 CHED Cc1ccc(C=NNCCCc2ccccc2)cc1C 729145694 AMLNQDYKJJNMKC-UHFFFAOYSA-N 266.388 3.860 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sc(-c2ccc(C)cc2)nc1C 822473507 YUVCMPWZSFRINZ-GFCCVEGCSA-N 298.411 3.521 30 20 CHED Cc1ncccc1/C=C/C(=O)c1cn(C)c2ccccc12 728787961 YHTVKRCZJKHOJY-MDZDMXLPSA-N 276.339 3.778 30 20 CHED C=CCC1(NCc2nc(-c3cccs3)no2)CCCC1 661850093 JYNCLTSPGWVAGD-UHFFFAOYSA-N 289.404 3.777 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)o2)c2c(c1)C[C@@H](C)O2 727744288 NGSMBGHWEJEBTF-BTDICHCPSA-N 298.338 3.816 30 20 CHED CC[C@H](C)[C@@H](C(=O)Nc1cccc(C#N)n1)c1ccccc1 583754253 FDRHMZKKVVLDBZ-SUMWQHHRSA-N 293.370 3.722 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)c2cccc(C3CC3)c2)n1 580992777 SRSWZQRNLWCMLU-LBPRGKRZSA-N 278.359 3.707 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)Cc1ccsc1 669803483 ODJUPNYJHBPOQH-GFCCVEGCSA-N 290.436 3.676 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1nc(C)cs1)C(C)C 729622904 APSFCCTZGDMKEP-LBPRGKRZSA-N 281.425 3.509 30 20 CHED N#Cc1ccccc1-c1cc(F)ccc1OC[C@@H]1CCOC1 589962503 MYJSKAKKCOLHQO-CYBMUJFWSA-N 297.329 3.780 30 20 CHED C=CCC[C@@H](NC[C@H](O)CCc1ccccc1)c1ccco1 583016253 PQEOVDDORSFFQI-QZTJIDSGSA-N 299.414 3.870 30 20 CHED CCc1noc(CC)c1CN[C@H](CC)c1cccc(C#N)c1 902840231 YUGVQCKFLXJSRV-MRXNPFEDSA-N 297.402 3.912 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(CC2(C)CCCC2)no1 903704600 YUJBDYGCTRAACB-JSGCOSHPSA-N 276.380 3.641 30 20 CHED CCOC1CC(CCN[C@H](CC)c2cccc(C#N)c2)C1 902971499 YXTSPKUGPHIFLI-IUPXNIOVSA-N 286.419 3.804 30 20 CHED CC(C)CN(C(=O)[C@@H](C)C(C)C)c1ccc(C#N)cc1 497818989 XUWFCXWIXABFHN-AWEZNQCLSA-N 272.392 3.839 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1C=NNc1ccccc1F 739411551 LTIDAMGVQKWLMA-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CS[C@H]1CCCC(=NNc2nncc3ccccc23)C1 901128940 RLQPEFCKGHXDHK-ZDUSSCGKSA-N 286.404 3.703 30 20 CHED CC(CCC1CCCCC1)=NNc1cc(C)ncn1 731934804 IWGSMJFBMXKJAE-UHFFFAOYSA-N 260.385 3.933 30 20 CHED C=C(C)CCNC(=O)/C=C/c1cnc(C(C)(C)C)s1 493155230 CNLFTJZTYGSRHF-VOTSOKGWSA-N 278.421 3.536 30 20 CHED CSC[C@](C)(C#N)NC(=O)CC(C)(C)C1CCCCC1 589047929 FKOJXZFVWVUWFZ-INIZCTEOSA-N 296.480 3.744 30 20 CHED CCCCCCCOC(=O)c1ccc(Cl)cn1 736863406 LZBKABGUGRGPPG-UHFFFAOYSA-N 255.745 3.862 30 20 CHED CCOc1ccc(NN=C(C)Cc2ccccn2)cc1 834983627 RHDUZBWIBFAEPK-UHFFFAOYSA-N 269.348 3.511 30 20 CHED C=CCCNC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 661569767 DRHZQLKOXUPERR-UHFFFAOYSA-N 299.201 3.637 30 20 CHED CC(C)(C#N)CCSCCCOC(F)(F)F 902388590 ZJLULOIHHZGCMY-UHFFFAOYSA-N 255.305 3.586 30 20 CHED CCSc1cccc(N=Cc2cccc(O)c2O)c1 733750015 IVANNTQFXKLBFM-UHFFFAOYSA-N 273.357 3.960 30 20 CHED CC(=NNc1cccnn1)c1cccc(Cl)c1Cl 735973184 BLBVDLJTWRCACZ-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=CC[C@@H](CC)NC[C@H](O)COc1ccc2ccccc2c1 584834917 JMWJHKHYCSGGRN-MSOLQXFVSA-N 299.414 3.524 30 20 CHED C=C(CNC(=O)c1csc(Cl)c1)c1ccccc1 673341646 MAJYRVDZQFMUGD-UHFFFAOYSA-N 277.776 3.845 30 20 CHED CCc1ccc(C(=O)/C=C/c2nc(C)c(C)[nH]2)s1 901444306 WRJCBVOEQYPMDD-SOFGYWHQSA-N 260.362 3.547 30 20 CHED FC(F)(F)c1cccc(NN=C[C@H]2CC=CCC2)n1 739426135 IZQIQMPSGDQXMX-JTQLQIEISA-N 269.270 3.854 30 20 CHED C=C(C)COc1cccc(NC(=O)NC[C@@H](C)C2CC2)c1 589739593 XAHJRQPDWUFRLX-CYBMUJFWSA-N 288.391 3.809 30 20 CHED N#CC1(CCCCn2sc3ccccc3c2=O)CCC1 901506527 BDSKIUVYXUHCTI-UHFFFAOYSA-N 286.400 3.927 30 20 CHED C#CCC[C@H](C)OC(=O)CCCc1sccc1C 839036673 GIGVRTWLCQOWSW-ZDUSSCGKSA-N 264.390 3.724 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3cnco3)cc2)C1 839049786 SKQFKRSKEKUPCF-IUODEOHRSA-N 296.326 3.581 30 20 CHED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C#CC1CC1 837465670 IAIVJLYAECVPSL-OAHLLOKOSA-N 296.414 3.726 30 20 CHED C[C@H]1CC[C@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)CC1 584235112 HLWMIMSOBNVDKA-HUBLWGQQSA-N 290.794 3.847 30 20 CHED Cc1cc(SC[C@H]2CCCC[C@H]2O)ccc1C#N 584052807 HFORCPALIFNOKG-UKRRQHHQSA-N 261.390 3.510 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cncc(F)c1 737414119 RFWKKGVIQBTJOH-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CCc1ccccc1NN=C(C)[C@H]1C[C@H]2CC[C@H]1O2 834942329 YYAMPCGKLPMAIY-IIAWOOMASA-N 258.365 3.604 30 20 CHED C#C[C@@H](NC(=O)Nc1scnc1C(C)C)c1ccccc1 831847776 CSMVNZJGTKGZQX-CYBMUJFWSA-N 299.399 3.763 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(F)(F)CC1 670208382 CTGYBGHPNCOEPI-GFCCVEGCSA-N 298.381 3.603 30 20 CHED CC(C)C[C@@H](NCCc1ccc(C#N)cc1)c1ccccn1 595056113 RQARIZFNSVCONE-LJQANCHMSA-N 293.414 3.873 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2F)C1 596646240 TUNFKTAIQGBGSM-SNVBAGLBSA-N 295.745 3.637 30 20 CHED C=CC1CCN(C(=O)C2(c3cccc(C)c3)CCC2)CC1 599680874 UOLGHOFRMQDDDM-UHFFFAOYSA-N 283.415 3.841 30 20 CHED N#CC1(CC(=O)NC[C@@H]2CCC[C@H]2C2CC2)CCCCC1 597773520 IURMRWGRZPTTFD-HOTGVXAUSA-N 288.435 3.793 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cccc(C#N)c2)CCCC1 590672858 CLYWEMMCRQPNHJ-AWEZNQCLSA-N 282.387 3.872 30 20 CHED Cc1n[nH]c(C)c1C=NNc1ccc(Cl)c(Cl)c1 915933711 GSZWLYCALUDRKU-UHFFFAOYSA-N 283.162 3.779 30 20 CHED C=CCC1(C(=O)OC[C@@H](C)CC(F)F)CCCC1 842440557 LWWUSLDVGNATEI-NSHDSACASA-N 260.324 3.957 30 20 CHED C=CCCOCC(=O)Oc1ccc(Cc2ccccc2)cc1 749136426 XILLDLZQQBFXCJ-UHFFFAOYSA-N 296.366 3.776 30 20 CHED Cc1ncsc1C=NNc1ccc(Cl)c(F)c1 747637094 ZKLLAEWHUCXYBU-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccc(OCC)cc1)C(C)C 840321190 OPXFNLKHQJODNS-HNNXBMFYSA-N 289.419 3.687 30 20 CHED C#Cc1cccc(NC(=O)N(Cc2cccs2)C2CC2)c1 915339626 AIXMBIOLEMQLHO-UHFFFAOYSA-N 296.395 3.926 30 20 CHED C=CCC[C@@H](C(=O)OCCC1(O)CCC1)c1ccccc1 840468991 JZXWGQCMPYBVNV-MRXNPFEDSA-N 288.387 3.585 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc2c(c1)COC2 743416699 AXWOFUYBLFJGIM-UHFFFAOYSA-N 266.344 3.861 30 20 CHED C#C[C@H](OC(=O)[C@@H](c1cccnc1)C(C)C)c1ccccc1 842363467 JPHZFMSVYSWVQQ-ZWKOTPCHSA-N 293.366 3.739 30 20 CHED CCC(CC)[C@H](C)C(=O)Oc1cccc(OCC#N)c1 841344995 CDYZBFONBAERRQ-LBPRGKRZSA-N 275.348 3.567 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccc2c(c1)CCC2 840795370 YBGLLAJJPDWFEY-UHFFFAOYSA-N 274.433 3.674 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 597258755 RHMBAJCMFPCVMM-TWILYEHCSA-N 296.414 3.687 30 20 CHED C#Cc1cccc(NC(=S)N2CC[C@H](CC(C)C)C2)c1 745173395 QMBGEYWXDYAVLE-OAHLLOKOSA-N 286.444 3.733 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@H](c1ccccc1)C(C)C 599054534 BETVFUKNDDAWFF-INIZCTEOSA-N 286.419 3.872 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2C[C@@]2(C)c2ccccc2)c1 741465311 UHLITIBNAGZTCC-GUENDSEVSA-N 281.355 3.550 30 20 CHED CC(C)(C)OCCC/N=C\c1cc2ccccc2nc1O 849171843 GYVUGXPEPMZNIO-PDGQHHTCSA-N 286.375 3.565 30 20 CHED COc1ccc(-c2ccc(F)cc2C#N)cc1N1CCCC1 596635626 HDXLQUJSTFXUHZ-UHFFFAOYSA-N 296.345 3.973 30 20 CHED C=CCOCCSCc1nc(Cl)ccc1Cl 842186389 XQCGGJOQOAPQIS-UHFFFAOYSA-N 278.204 3.824 30 20 CHED COCCCOc1ccc(-c2ccc(OC)c(C#N)c2)cc1 596644346 DHARLIHOYBJGNT-UHFFFAOYSA-N 297.354 3.649 30 20 CHED C=CC[C@@H](OC(=O)CCc1ccnc(C)n1)c1ccccc1 842766417 PWPUZGRPUWDOQN-QGZVFWFLSA-N 296.370 3.578 30 20 CHED COc1ccc(-c2ccccc2C)cc1C=NNC1CC1 841631192 DVCDUVZGXVEPGD-UHFFFAOYSA-N 280.371 3.757 30 20 CHED C=CCCSCCNC(=O)C[C@H](C)c1ccccc1F 597972172 KTDZPKMDMBTGDV-ZDUSSCGKSA-N 295.423 3.745 30 20 CHED COc1ccccc1[C@@H]1C[C@H]1Nc1ncc(C#N)cc1Cl 596497558 XEGOHPHZCDVQSB-GXTWGEPZSA-N 299.761 3.583 30 20 CHED CCN(CCCc1ccc(Cl)cc1)[C@H](C)C#N 595814251 RPZPHECBMMZGGL-GFCCVEGCSA-N 250.773 3.507 30 20 CHED C[C@@H]1CN(c2ncccc2C#N)CCc2ccc(Cl)cc21 593494034 XJWFJHRQPRLTRD-GFCCVEGCSA-N 297.789 3.773 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C\C1CCCC1 843538099 LEWXAPIXDHCPER-XFXZXTDPSA-N 285.362 3.534 30 20 CHED C#CCCOc1ccc(C(=O)OC[C@H](C)CC(F)F)cc1 842444048 RNGWNGVAPWABBQ-GFCCVEGCSA-N 296.313 3.537 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)c1ccc(OC)cc1 747683176 SNYANKMTXYCIFX-UHFFFAOYSA-N 296.370 3.602 30 20 CHED C=C(C)[C@@H]1CC=C(COC(=O)C[C@@H](C)n2ccnc2)CC1 845486599 XZEZVYVVNXJIFI-GDBMZVCRSA-N 288.391 3.680 30 20 CHED C[C@@H](Sc1ccc(F)cc1)C(=O)OCC1(C#N)CCC1 924248782 CLFLIHKCCWFWSH-LLVKDONJSA-N 293.363 3.543 30 20 CHED C=CCCNC(=O)Nc1ccccc1SC(F)F 854226260 KPEGINJFDPMGBB-UHFFFAOYSA-N 272.320 3.699 30 20 CHED Oc1cccc(C=Nc2ccc(F)cc2Cl)c1O 920943083 ZSQOJDPFEUZVOC-UHFFFAOYSA-N 265.671 3.641 30 20 CHED CC(=NNc1ccccc1)c1ncc(Br)s1 756873200 OYKKEJDDPNBOLX-UHFFFAOYSA-N 296.193 3.742 30 20 CHED CCCCCCCCNC(=O)N(CC)Cc1ccncc1 755079431 SWLBPVXXHWNPOM-UHFFFAOYSA-N 291.439 3.974 30 20 CHED CC[C@H](CC(=O)OCc1ccc(F)c(C#N)c1)C(C)C 758948170 XIGWRCPQZNZUPV-CYBMUJFWSA-N 277.339 3.813 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N2CCC(C#N)CC2)cc1 755261020 QSCWGBWHQDLQES-CYBMUJFWSA-N 270.376 3.576 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1F)C1CCCC1 853396854 QUBBZHBXFHGJBD-UHFFFAOYSA-N 265.288 3.712 30 20 CHED C#CC[C@H](N=c1cc[nH]c2ccsc12)c1ccccc1 756953317 LRJSZJOWCVFQFI-AWEZNQCLSA-N 278.380 3.895 30 20 CHED C=C(C)COC(=O)c1ccccc1CCC(F)(F)F 758926964 JMFNCFJXPFQKHF-UHFFFAOYSA-N 272.266 3.914 30 20 CHED N#CCOc1ccc(CSc2cccc(O)c2)cc1 758412086 IPWUORSXWPISOA-UHFFFAOYSA-N 271.341 3.587 30 20 CHED C#CCCCC(=O)O[C@H](COC(C)C)c1cccc(F)c1 759155284 XDIRGTYPMFHMQO-MRXNPFEDSA-N 292.350 3.639 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)cc1 755568786 CYOGHOLLFWRTRF-UQCOIBPSSA-N 274.266 3.870 30 20 CHED C#CC[C@H](NC(=O)/C=C/c1ccccc1F)c1ccccc1 757579751 OYMNPRLJPYLFFN-JKGDOXCYSA-N 293.341 3.720 30 20 CHED CCCCCCCNC(=O)NCc1noc2ccccc12 858114516 LXMNMDSUVCWIPW-UHFFFAOYSA-N 289.379 3.597 30 20 CHED Fc1cc(C=NNCc2cccc(Cl)c2)cc(F)c1F 756826995 HVQZNILIEWQYRB-UHFFFAOYSA-N 298.695 3.881 30 20 CHED CS/C=C\C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 751581140 XURVQGBADHWAPH-CFYYFVFUSA-N 288.416 3.542 30 20 CHED CCC(CC)n1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)n1 851207848 IGTGJFPKPYSLAE-LBPRGKRZSA-N 291.395 3.729 30 20 CHED CCCn1nccc1/C=C\C(=O)c1cc(C)ccc1OC 853002156 HVKDDWXQBXORNW-SREVYHEPSA-N 284.359 3.506 30 20 CHED COc1ccc(NN=Cc2cccc(OC(C)C)c2)cc1 750922748 SMCSRZQPWJYMKZ-UHFFFAOYSA-N 284.359 3.928 30 20 CHED CC(C)(C=NNc1ccc(Cl)cc1[N+](=O)[O-])CCC#N 755650138 GZRZRHADPFLTSG-UHFFFAOYSA-N 294.742 3.976 30 20 CHED CC(CCc1ccc(C)cc1)=NO[C@@H]1CCCCO1 755814083 KPNRCCFYRYQASB-MRXNPFEDSA-N 261.365 3.847 30 20 CHED CCC1(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCC1 751825994 OZTSKHCPAOWGJO-AWEZNQCLSA-N 278.355 3.991 30 20 CHED C#CCCCC(=O)Nc1nc(C)c(-c2ccccc2)s1 758011311 RDKOFAUTJFVZOF-UHFFFAOYSA-N 284.384 3.861 30 20 CHED C=CCCN1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 931798957 HJHPGPFPPFLNIS-MRXNPFEDSA-N 287.794 3.587 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(O[C@H](C)C#N)cc1 769841720 VBSQKNVEUKQOAK-CYBMUJFWSA-N 297.333 3.871 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 761453783 ACYVXVAAGJNQRN-UONOGXRCSA-N 268.397 3.895 30 20 CHED CCC(=NOCC(F)(F)F)c1ccc(CC)cc1 764846947 SZRDMCBSECULAB-UHFFFAOYSA-N 259.271 3.942 30 20 CHED N#Cc1cc(Cl)ccc1CN[C@@H](c1ccncc1)C1CC1 934696470 GJENAVQCGMRLOS-QGZVFWFLSA-N 297.789 3.848 30 20 CHED CCCCO[C@H]1CC(=NOCC(F)(F)F)C1(C)C 764848169 ZWLVNPQBVRARSZ-JTQLQIEISA-N 267.291 3.537 30 20 CHED C[C@H]1CN(Cc2cc(C#N)cs2)Cc2ccccc21 768196565 REVVBEKEXTVLFP-LBPRGKRZSA-N 268.385 3.739 30 20 CHED COc1cc(F)ccc1NN=C(C)CCc1ccco1 761885740 RNIBFGNXCINOAL-UHFFFAOYSA-N 276.311 3.848 30 20 CHED COc1ccsc1C(C)=NNCc1ccccc1Cl 769780743 RRNRSRYISDQIFK-UHFFFAOYSA-N 294.807 3.924 30 20 CHED C(C[C@@H]1CCOC1)=NN=C1c2ccccc2-c2ccccc21 765562604 GJHLFLLAJLKABS-CQSZACIVSA-N 290.366 3.917 30 20 CHED C=C(C)COc1cccc(N[C@H](C)C[C@H]2CCOC2)c1 768515366 BVASWDBWNGYHCZ-HUUCEWRRSA-N 275.392 3.869 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](C)COC)cc1 765331694 SPBKTMJGSKTJSA-TZMCWYRMSA-N 297.826 3.751 30 20 CHED N#Cc1cccc(OCCCON=Cc2ccc(F)cc2)c1 763172781 ZFVBLWACJDWJLO-UHFFFAOYSA-N 298.317 3.517 30 20 CHED C#CCN(CC)Cc1ccc(Oc2cccnc2)c(C)c1 769111558 RPYZBAGHWQVLTB-UHFFFAOYSA-N 280.371 3.637 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1cncs1 767720522 CPTKOANJKGPAFV-SREVYHEPSA-N 268.341 3.829 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cccc(F)c1F 776192582 RYWRBHHUEICAQL-SREVYHEPSA-N 273.282 3.818 30 20 CHED CCOc1ccc(NC[C@@H](C)CCC#N)cc1OCC 876820151 LDDGPAHYVQKJQT-ZDUSSCGKSA-N 276.380 3.836 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C)c(OC)c2)c(O)c1 773144099 XKWPDQUYMSYHBP-RMKNXTFCSA-N 298.338 3.614 30 20 CHED CCCC(CC)=NNC(=S)Nc1ccc(OC)c(F)c1 776180007 IWPMWQSHOMDERM-UHFFFAOYSA-N 297.399 3.687 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCCOc3ccccc32)c1 773028873 WNXLEQHBJPYIAO-KRWDZBQOSA-N 296.345 3.701 30 20 CHED COc1cccc(/C=N/[C@H](C)c2ccc(N(C)C)cc2)c1O 773907898 VWWKFGYMYWXNJC-KZKLBEMASA-N 298.386 3.647 30 20 CHED C=C(C)CN(C)C(=S)N[C@@H](CC)c1cccs1 777918914 QLDCIILMAFUUDC-NSHDSACASA-N 268.451 3.582 30 20 CHED Clc1ccc(CNN=Cc2cccn2C2CC2)cc1 1117782615 MEQRTBBFHZFTSH-UHFFFAOYSA-N 273.767 3.600 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(N)cc2Cl)c1 1117678720 FTMVCMSXWCNMIA-UHFFFAOYSA-N 293.729 3.516 30 20 CHED C=CCOc1cccnc1C(=O)OC[C@H]1CCC[C@H](C)C1 775112807 OEFFLFXKLNFYTH-KBPBESRZSA-N 289.375 3.630 30 20 CHED C=CCSc1ccccc1C(=O)NOCc1ccccc1 777102922 IMKCDAAYFGLJDO-UHFFFAOYSA-N 299.395 3.826 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1/C=C/c1ccccc1 779733077 VSVPYTCEUXCLKR-SIFUEBAJSA-N 286.444 3.615 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)[C@]1(C#N)CC12CCCC2 887957747 MHBTUHYCMGWJMA-LJQANCHMSA-N 296.414 3.736 30 20 CHED C=C(CC)C(=O)N([C@H]1CCc2ccccc21)[C@H](C)COC 1123937821 XSLKYORGIULXRD-PBHICJAKSA-N 287.403 3.504 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCC[C@H]1CCC(C)C 773298012 AQERBJWQJGCTFI-JKSUJKDBSA-N 263.425 3.901 30 20 CHED Cc1ccc(CSCc2ccc(F)cc2C#N)nc1 776889400 DTBWWGXBBBDQMP-UHFFFAOYSA-N 272.348 3.834 30 20 CHED Cc1cccnc1C=NN[C@@H](Cc1ccccc1)C(C)C 777447723 IEDXESXLFRCJHZ-KRWDZBQOSA-N 281.403 3.581 30 20 CHED C=CCC[C@H](C(=O)OC[C@H]1CCCOC1)c1ccccc1 778558472 AMDBHHUVSIZFES-RDJZCZTQSA-N 288.387 3.706 30 20 CHED C=CC(C)(C)CC(=O)Nc1ncccc1CCCCOC 880079305 NBKPQINCZFEVFG-UHFFFAOYSA-N 290.407 3.592 30 20 CHED CCCCCCCC[C@H](C)Cc1nc(-c2nc[nH]n2)no1 774626909 NMXPNSRNMLFFNU-LBPRGKRZSA-N 291.399 3.784 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(C#N)cc1C(C)=O 1128965425 KMNTWMAGZRJKLT-NSHDSACASA-N 286.375 3.772 30 20 CHED CC(=NOC1CCOCC1)c1ccc(C(C)C)cc1 774459945 UICZLTXFPGDOSU-UHFFFAOYSA-N 261.365 3.730 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc(N2CCCCC2)o1 782287452 LJMSLGQGRJEVCA-OAHLLOKOSA-N 289.423 3.772 30 20 CHED C=C1CC(c2noc(CSCc3c(C)noc3C)n2)C1 896889055 BMDJYFMXNFVYSA-UHFFFAOYSA-N 291.376 3.541 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1O 787034124 RVUUBKWQHQAFKI-DIFFPNOSSA-N 296.345 3.741 30 20 CHED N#Cc1ccc(NN=Cc2ccc(F)cc2F)cc1Cl 783877769 ONUDNPVXOFKBIP-UHFFFAOYSA-N 291.688 3.936 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NO[C@H]2CCCCO2)C1 783522333 QGEGNYPLIPVJHI-KOLCDFICSA-N 265.275 3.638 30 20 CHED COc1ccc(C=NNC2CCCCC2)cc1OC(F)F 786041254 YFIVVCANJJDJDS-UHFFFAOYSA-N 298.333 3.553 30 20 CHED Cc1nc(C)c(CSc2nc3c(cc2C#N)CCCC3)o1 788098749 DZXIYSRIWZCKMS-UHFFFAOYSA-N 299.399 3.729 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCCC(C)(C)C)c1 783638528 UECMGJYYAHCBLV-OAHLLOKOSA-N 274.408 3.893 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@H](C(C)(C)C)C1)c1ccccc1 784396836 IQYBYASOHMCESW-IRXDYDNUSA-N 298.430 3.829 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](F)C(C)C 784024028 JNBFHROGWLJWNW-LBPRGKRZSA-N 289.803 3.910 30 20 CHED CCCCCC[C@H](C)CC(=O)NCC(C)(C)C#N 782099196 SAEIMIRQLBZCLF-ZDUSSCGKSA-N 252.402 3.649 30 20 CHED C=CCCC(=O)COC(=O)c1cc2ccccc2n1CCC 787871079 YWBMPYJSSPTZKU-UHFFFAOYSA-N 299.370 3.743 30 20 CHED COc1cc(F)cc(NN=C(C)c2coc(C(C)C)n2)c1 799484163 WQOUWTCJVMUSCJ-UHFFFAOYSA-N 291.326 3.782 30 20 CHED CC(C)C1CCC(C=NN[C@@H](CO)c2ccccc2)CC1 794937225 WBEJCZLWIJOYPU-HTWSVDAQSA-N 288.435 3.758 30 20 CHED CCCCOc1ccccc1C=NNc1cccc(F)n1 795008925 TUINQDBNAMSQCD-UHFFFAOYSA-N 287.338 3.846 30 20 CHED CCc1onc(C)c1/C=C1/COc2c(C)cccc2C1=O 899348506 AVTJHYNXHNXKOD-WQLSENKSSA-N 283.327 3.513 30 20 CHED CCCCCCCCNC(=O)c1ccoc1CC 797469363 XDYUCCQWZOPXLC-UHFFFAOYSA-N 251.370 3.932 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2OC(F)(F)F)no1 791433092 PNKNWZIRVGRBKM-SREVYHEPSA-N 297.232 3.778 30 20 CHED C=CC[C@@H](C)NCc1sccc1Br 164997488 GFSSETJMJHCINN-MRVPVSSYSA-N 260.200 3.565 30 20 CHED N#CCCCCNCC1CCC(C(F)(F)F)CC1 186620525 YMUSUDZQIUXCQX-UHFFFAOYSA-N 262.319 3.639 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)oc1C 799897321 NZPIRWVMBVSMDB-VMPITWQZSA-N 271.272 3.701 30 20 CHED C=CCCCCCOC(=O)C(C)(C)C1CCOCC1 796439424 SRYUYBIAODWCTH-UHFFFAOYSA-N 268.397 3.729 30 20 CHED C#CCCCCNC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 792129465 WBRJBVSBFZOSMA-KRWDZBQOSA-N 298.430 3.606 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cc(F)cc(F)c1O 798936872 MEJWDVACIACELR-ONGXEEELSA-N 255.308 3.676 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H](C)c1cc(F)cc(F)c1 797953343 CRMXVRZSXCCYAN-QMMMGPOBSA-N 291.253 3.656 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@H]1c1ccccn1 794935124 FIWJFMUOQIFMRZ-ZDUSSCGKSA-N 295.390 3.731 30 20 CHED N#Cc1cc(NCCCOC(F)F)ccc1C(F)(F)F 193614873 XHLCTWPNWCXOES-UHFFFAOYSA-N 294.223 3.618 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccc(C#N)cc2F)C1 1147340953 IZVXSIVEPUUTKC-UHFFFAOYSA-N 288.366 3.740 30 20 CHED C=CCCCNc1ccc(Br)cc1F 70591301 QYAXVGFGFAMIRF-UHFFFAOYSA-N 258.134 3.966 30 20 CHED CSc1ccc(C=NN[C@@H](C)C(C)(C)C)cc1 793115709 SSTYCUHPQKYOFX-NSHDSACASA-N 250.411 3.767 30 20 CHED C=CCCSCCNC[C@H]1C[C@H]1c1ccccc1 597184154 HPHFSATZEKSHDL-CVEARBPZSA-N 261.434 3.689 30 20 CHED CC[C@@H]1CCC[C@H](Nc2nc3c(cc2C#N)CCC3)C1 85065945 XZQIYTNMXNGRGE-DOMZBBRYSA-N 269.392 3.823 30 20 CHED C#CCN(CCC(=O)c1ccccc1)C1CCCCC1 777561702 NIMNRCBUNDQFJE-UHFFFAOYSA-N 269.388 3.527 30 20 CHED C=CCN(C(=O)[C@@H](C)OC1CCCCC1)c1ccccc1 1318510722 MTHKDQSSAGFHEW-OAHLLOKOSA-N 287.403 3.943 30 20 CHED CC[C@@H](NCc1cc(C#N)cs1)c1ccc(F)cc1 1178285260 OLQKIWMYOHWRRQ-OAHLLOKOSA-N 274.364 4.000 30 20 CHED C=CC[C@@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccncc1 1328133628 FFYWHQWASBJXKA-BBWFWOEESA-N 299.418 3.673 30 20 CHED CC(C)(C)ON=C1c2ccccc2CC12CCOCC2 1322408860 VENPFFFGXDASMP-UHFFFAOYSA-N 273.376 3.559 30 20 CHED CC[C@H](/N=C\c1cccc(O)c1O)c1ccc(F)cc1 1323700132 BKHWURWEHKBQHL-KPYNCUPYSA-N 273.307 3.807 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(CN2CCCC2)c1 1320743707 QKGIVCDCTPXGDH-GOSISDBHSA-N 286.419 3.823 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc2cc(OC)ccc2c1 1321242148 UTYLGPKUKAWWFJ-DYVFJYSZSA-N 285.387 3.700 30 20 CHED C#C[C@@H](NC(=O)c1[nH]c2ccc(C)cc2c1Cl)C(C)C 1321648210 HSGBTWBEGQEMAG-GFCCVEGCSA-N 288.778 3.517 30 20 CHED COc1cc(C=NNc2ccc(F)c(F)c2F)ccc1F 1324258338 KWHSZVCNGYSXOA-UHFFFAOYSA-N 298.239 3.698 30 20 CHED N#Cc1cnccc1SCc1cccc(F)c1F 1187593711 PALMCABBTMFOFG-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CCCC[C@H](CCC)NC(=O)CC#Cc1ccccc1 1252966917 BYBLYDCIQRAEPO-KRWDZBQOSA-N 271.404 3.903 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2ccc(C)cc2)o1 1338093531 JIHDKXXOFWKKSC-OAHLLOKOSA-N 271.360 3.546 30 20 CHED C=CC(C)(C)CC(=O)O[C@H](C#N)Cc1ccc(F)cc1F 1342652533 NBFPKNMPJFRSEJ-ZDUSSCGKSA-N 293.313 3.545 30 20 CHED CCSc1ccccc1CC(=O)OC1(CC#N)CCC1 1344898729 CGZHCEAOLJLDCD-UHFFFAOYSA-N 289.400 3.721 30 20 CHED CCc1cccc(N(C)CCOc2ccccc2C#N)c1 1194921988 MDDPVIBDEHGFBL-UHFFFAOYSA-N 280.371 3.636 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 1345107128 CARSENJCLRHJOD-HNNXBMFYSA-N 269.348 3.521 30 20 CHED CCCCCCCNC1(CC(=O)O)CCCCC1 1589644977 GXXCZEQNEVRSBQ-UHFFFAOYSA-N 255.402 3.724 30 20 CHED Cc1coc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1C 1341089711 ZNKYNGJWRUPJJG-LBPRGKRZSA-N 269.300 3.686 30 20 CHED C[C@@H](O)CSCc1ccc(-c2ccccc2C#N)cc1 1190056289 XWFKAKYFWOAWBT-CYBMUJFWSA-N 283.396 3.839 30 20 CHED CCN(CCC#N)C(=O)c1cc2c(s1)CCCCCC2 103208579 ALFDUVWZVJOFCE-UHFFFAOYSA-N 290.432 3.783 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccccc1C 1434914458 HMOBZVBCGXKNQS-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED CC[C@@H](CC(=O)O[C@H](CC#N)c1ccco1)C(C)C 1350311419 KTOAPZJGGVXADL-GXTWGEPZSA-N 263.337 3.850 30 20 CHED C[C@@H](OC(=O)C(C)(C)C(F)(F)F)c1cccc(C#N)c1 1518209810 CBGVJTHNURMXMH-SECBINFHSA-N 285.265 3.751 30 20 CHED C=C[C@@H](C(=O)N1CC=C(C(F)(F)F)CC1)c1ccccc1 1519831671 ARHLKRKUQWHGBO-CQSZACIVSA-N 295.304 3.677 30 20 CHED Cc1cccc(C2(CNc3cncc(C#N)n3)CCCC2)c1 1458152737 PKYUQKPKIGHJGC-UHFFFAOYSA-N 292.386 3.581 30 20 CHED CC[C@H](OC(=O)c1cccc(C#N)c1C)c1ccncc1 1528450559 ZHSDQMAWMYFACP-INIZCTEOSA-N 280.327 3.570 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 1467150693 KWUSMXNXRRZNCK-LBPRGKRZSA-N 289.354 3.597 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2oc(C(=O)O)cc2c1 1602807459 LDIHCCDYMKRZGT-UHFFFAOYSA-N 287.315 3.672 30 20 CHED CC[C@H](C(=O)Nc1ccc(OC)c(C#N)c1)c1ccccc1 1535536480 HOUVJQKHCQUBAZ-INIZCTEOSA-N 294.354 3.699 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cc(C(=O)O)co2)c(C)c1 1607618314 GQYYQRPPYDZCAA-SNAWJCMRSA-N 284.311 3.799 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCCC(C)(C)C2)cc1C#N 1535277684 RVIWXWVZPZXNFA-OAHLLOKOSA-N 271.360 3.992 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CC12CCCCC2 1546276745 LXEKHMKGTHRBCA-IAGOWNOFSA-N 296.414 3.598 30 20 CHED COc1ccc(NC(=O)[C@@H]2CCCCC2(C)C)cc1C#N 1544961834 GZECHFTUVDKKBQ-AWEZNQCLSA-N 286.375 3.722 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)NCCc1ccc(C#N)cc1 1586145491 JAHROLBMSKDHBQ-KRWDZBQOSA-N 298.430 3.823 30 20 CHED N#Cc1c(F)cccc1NCc1cccc(-c2cnco2)c1 1651202555 JPPZIQNFVSFQSZ-UHFFFAOYSA-N 293.301 3.964 30 20 CHED Cc1cc(CNC2(C)CCC(C)CC2)ccc1C#N 1655529109 POZYATVSMPTZEV-UHFFFAOYSA-N 256.393 3.925 30 20 CHED C[C@@H](NCc1cc(C#N)ccn1)c1cc2ccccc2o1 1654154973 LCKHWJGWNGVSIQ-GFCCVEGCSA-N 277.327 3.550 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1ncc(C#N)cc1F 1650967145 JSNOBZZZSTWNKB-MDWZMJQESA-N 281.334 3.632 30 20 CHED Cc1cc(N(C)C[C@H](C)C2CCCCC2)c(C#N)cn1 1651318522 ZSSMSGUTKBNHFT-ZDUSSCGKSA-N 271.408 3.914 30 20 CHED Cc1cnc(OC(C)C)c(N[C@@H](C)CC(C)(C)C#N)c1 1664810946 MPRIPRLKRIVILU-ZDUSSCGKSA-N 275.396 3.918 30 20 CHED C=C(Cl)CNCc1cc(Cl)c(OC)c(OCC)c1 1661540592 XUNDERSMUKOOGW-UHFFFAOYSA-N 290.190 3.589 30 20 CHED C=C(CNC(=O)N[C@H](C)C[C@@H](C)CC)c1ccccc1 1669519099 VWBUGFPDYRVQBG-DZGCQCFKSA-N 274.408 3.824 30 20 CHED C=C(CNC(=O)N1CCC[C@H](CCC)C1)c1ccccc1 1673395432 LKBBMYSSIORTFT-INIZCTEOSA-N 286.419 3.922 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(CC(=O)O)c2)c(C)c1 1776132744 DNAQAZPTTOJLAZ-CLFYSBASSA-N 294.350 3.827 30 20 CHED C=CCCC1(C(=O)O)CCN(CCCC2(C)CC2)CC1 1776169824 PNPUXHWKPBFBIO-UHFFFAOYSA-N 279.424 3.700 30 20 CHED CCCCCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C(=O)O 1776786741 ITXPHOUIIVFMEE-CABCVRRESA-N 297.439 3.839 30 20 CHED O=C(O)c1cc(NN=Cc2cccc(Cl)c2)ccc1F 1776061679 JHEFZCOBZOQNEK-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C[C@H]1C/C(=C/c2ccc(C(=O)O)nc2)C(=O)c2sccc21 1776589506 HMYJROHOZIQCDF-MKVDPYIPSA-N 299.351 3.615 30 20 CHED C=C(C)COc1cccc(NC(=O)C[C@H](C)SC)c1 162790385 AXGSFMNHCMXQPO-LBPRGKRZSA-N 279.405 3.722 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2cccc(C#N)c2)n1 160091811 MCPBBWIIIKZQLT-SFHVURJKSA-N 277.371 3.599 30 20 CHED N#Cc1ccc(OCC(=O)CCC2CCCC2)c(F)c1 160475237 WSEDNUUAZCVLMX-UHFFFAOYSA-N 275.323 3.616 30 20 CHED C=CCCN[C@H]1CCc2c(Br)cccc21 232481525 IHNSXMBSPSEASG-ZDUSSCGKSA-N 266.182 3.602 30 20 CHED C#CCSCc1nc(-c2cccc(C(F)(F)F)c2)no1 166597162 ASQMFEJNDLRRPW-UHFFFAOYSA-N 298.289 3.622 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CCC[C@H](C)C2)s1 151977804 VIVDSWLADFUJHN-QWRGUYRKSA-N 276.405 3.947 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 152645021 NUZRAUBZHYWISS-MRXNPFEDSA-N 284.403 3.793 30 20 CHED C=CCCOCCN[C@H](C)c1cccc(Br)c1 155637216 APROSNATZFEYSX-GFCCVEGCSA-N 298.224 3.692 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Br)s1 40214968 JRDOGOMLCOOLRZ-UHFFFAOYSA-N 288.210 3.549 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CC=CCC2)c(Cl)c1 269251780 XOLOLXFFBKNBJK-NSHDSACASA-N 260.724 3.506 30 20 CHED N#Cc1ccc(NCc2ccccn2)cc1C(F)(F)F 36805576 XPKGEBYSTOMMQW-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CC(F)(F)F 279288335 AXFWDSJPKMDZOE-UHFFFAOYSA-N 271.282 3.544 30 20 CHED CCC1(CC)CCN(c2cc(C)nc(C#N)c2)CC1 308271194 MDFIFJMTOLAUKR-UHFFFAOYSA-N 257.381 3.668 30 20 CHED CCOC1(CNc2ccc(Cl)cc2C#N)CCCC1 312104936 WJFGSIYOALFWPE-UHFFFAOYSA-N 278.783 3.973 30 20 CHED Cc1ccoc1CNc1nc2ccccc2cc1C#N 312758718 YFCXZRMELYIVIG-UHFFFAOYSA-N 263.300 3.620 30 20 CHED N#Cc1ccc(N[C@@H]2CCCC23CCOCC3)cc1Cl 383593953 LYHZHOSUBFDXEK-OAHLLOKOSA-N 290.794 3.973 30 20 CHED C=CC(C)(C)CNCc1ccc([N+](=O)[O-])cc1Cl 384839374 IAJLFQRIGALTBB-UHFFFAOYSA-N 268.744 3.550 30 20 CHED CSC(C)(C)CCNc1cc(F)cc(C#N)c1 718564511 MTSKFZOZGSKHJH-UHFFFAOYSA-N 252.358 3.641 30 20 CHED C=CCN(C)c1ccc(NC(=O)OC(C)(C)C)cc1 860000743 PFGJKEHNOWRCTP-UHFFFAOYSA-N 262.353 3.656 30 20 CHED CC1=C[C@H](C)C[C@@H](CNCCc2cccc(C#N)c2)C1 569175481 NBAHVWQNQNJRNG-KBXCAEBGSA-N 268.404 3.683 30 20 CHED O=C(Nc1ccncc1)c1ccc(C#Cc2ccccc2)cc1 10126241 OQAAXOFERBYCNL-UHFFFAOYSA-N 298.345 3.734 30 20 CHED C[C@@H](Cc1cccs1)Nc1ccc(C#N)cc1F 110442115 OGBLECQLHACRPL-JTQLQIEISA-N 260.337 3.802 30 20 CHED CC(C)Oc1cccc(CC(=O)Nc2ccccc2C#N)c1 102831201 XXAYGZNQLUUXTP-UHFFFAOYSA-N 294.354 3.527 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3scnc3c2)CC1 171892416 CIKHTKPWJIJLKU-UHFFFAOYSA-N 287.388 3.726 30 20 CHED Cc1ccc2ncc(/C=C3\CCc4ccccc4C3=O)n2c1 178765552 UAEVPSGDXPUHTA-XNTDXEJSSA-N 288.350 3.855 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1F 117005792 QWFRLIQCBUMSGT-MRVPVSSYSA-N 290.260 3.931 30 20 CHED CCn1c(C(=O)Nc2sccc2C#N)cc2ccccc21 58034885 NYDHWSNSWXRSNZ-UHFFFAOYSA-N 295.367 3.847 30 20 CHED C#CCN[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 179711324 CYTAMGMHGMAYDM-OAHLLOKOSA-N 295.382 3.558 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1 55891204 JBDGMBIIBHEXPL-UHFFFAOYSA-N 295.382 3.832 30 20 CHED Cc1c(C(=O)O[C@@H](C)CC#N)oc2ccc(Cl)cc12 113686479 SDIUKJHWQPUOHK-QMMMGPOBSA-N 277.707 3.854 30 20 CHED CCN(Cc1cn2ccccc2c1C#N)[C@@H](C)C(C)C 343534032 XIUUBDQLVBLDGK-AWEZNQCLSA-N 269.392 3.677 30 20 CHED CCOC(=O)C[C@H](C)S[C@H](C)c1ccc(C#N)cc1 118180259 NNIKDBGODLGQIL-NWDGAFQWSA-N 277.389 3.694 30 20 CHED CCS[C@H]1CCC[C@@H]1NCCCCC(C)(C)C#N 300673155 UMJOBUWFCYTZTM-KBPBESRZSA-N 268.470 3.970 30 20 CHED N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(C(F)(F)F)c1 61889437 LIQIEOJGCTUAMR-JOYOIKCWSA-N 297.280 3.519 30 20 CHED C=C(C)CNC(=S)N(CCCC)Cc1ccccc1F 63564759 OQHCLYZRDXDCJK-UHFFFAOYSA-N 294.439 3.878 30 20 CHED C[C@@H]1CN(CCOc2ccccc2C#N)c2ccccc21 60468958 RCQMDUAUPMSATC-CQSZACIVSA-N 278.355 3.561 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(CC#N)cc2)C1 174714247 DOWOKPVEPQPLBG-UONOGXRCSA-N 285.391 3.795 30 20 CHED CC1(C)[C@H]2CN(c3c(C#N)cnc4ccc(Cl)cc34)C[C@@H]21 301429532 FOLUKTVQAXEVJQ-KBPBESRZSA-N 297.789 3.852 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-c2ccccc2)nc1C 116858024 MSZGWODXQAAYBK-ZDUSSCGKSA-N 280.371 3.751 30 20 CHED C=C(C)CSCc1nnc(-c2ccccc2OC)o1 177866443 RWLDGOKUEVYCTK-UHFFFAOYSA-N 276.361 3.555 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CCC2CCCCC2)C1 303604457 APJPPMIBWKXRHI-YOEHRIQHSA-N 276.424 3.936 30 20 CHED C[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1cccc(F)c1 173794246 WPPPNVWKLMAYIA-IIYDPXPESA-N 288.366 3.518 30 20 CHED C=CCCCC(=O)Nc1ccc(OCC2CC2)cc1 175653118 GBMGWZNVLAYMFV-UHFFFAOYSA-N 259.349 3.770 30 20 CHED C=CCCCC(=O)OCc1cc(C)nc2ccccc12 174915825 NBLCWOHDBUVKGJ-UHFFFAOYSA-N 269.344 3.943 30 20 CHED CN(CCCCc1ccccc1)C(=O)c1cc(C#N)cs1 176963179 UJPHYWDUOVHEKA-UHFFFAOYSA-N 298.411 3.715 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H](C)CC(C)C 67821667 CDKYVWSZXBZODC-GFCCVEGCSA-N 258.365 3.878 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1csc(-c2ccccc2C)n1 66645210 MPYDJMOSMNJLBL-INIZCTEOSA-N 299.399 3.541 30 20 CHED COc1cccc(N(Cc2cc(C#N)ccn2)CC(C)C)c1 1191671681 ABWXTGZEKQHROO-UHFFFAOYSA-N 295.386 3.624 30 20 CHED CCc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1C 1266289180 FRQHHRYBKSTVIU-UHFFFAOYSA-N 278.355 3.990 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1C 178562818 TZQRWTPMNKYBNL-UHFFFAOYSA-N 293.370 3.921 30 20 CHED C=CCCC(=O)Nc1nc2ccc(Cl)cc2s1 60364697 BDSRMAAAONDQSC-UHFFFAOYSA-N 266.753 3.854 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccccc1OC(F)F 188701358 UVGRFXXGYCAIEV-MRXNPFEDSA-N 297.345 3.549 30 20 CHED Cc1ccccc1Cc1nc2ccccc2n1CCC#N 184571979 DVBHENAFOFTANQ-UHFFFAOYSA-N 275.355 3.849 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2ccc(F)cc2)c1 33472237 SECIINCKZHWTSO-UITAMQMPSA-N 286.302 3.739 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(OC(F)(F)F)c1 181543882 XUNBTHDMXPYKKP-UHFFFAOYSA-N 288.269 3.625 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 184637746 WVIWPCKAAGHNRY-VXGBXAGGSA-N 297.320 3.632 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1cn(C)c2ccccc12 182651190 JCHSAJAQJSQGFB-HNNXBMFYSA-N 298.430 3.972 30 20 CHED C=CCOc1ccc(CNc2ncc(C)s2)cc1OC 185857685 AHVVJKMURWZTSS-UHFFFAOYSA-N 290.388 3.637 30 20 CHED Cc1c(C(=O)NC(C)(C)C#N)oc2c1ccc1ccccc12 124353824 PHMDTKFKCHFIEX-UHFFFAOYSA-N 292.338 3.926 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(OC(F)F)cc1 189836221 QKSBPVWRUZHENN-MRXNPFEDSA-N 297.345 3.849 30 20 CHED CC[C@H](CNc1nc(C)ccc1C#N)Oc1cccc(C)c1 500263303 SAXYOHZPATVHNK-MRXNPFEDSA-N 295.386 3.840 30 20 CHED CCCOc1cccc(CCN[C@H]2CCC[C@H](C#N)C2)c1 185869380 QQAIHMLALMHOLA-IRXDYDNUSA-N 286.419 3.690 30 20 CHED COc1cccc(/C=C2/CCOc3ccc(F)cc3C2=O)c1 210276121 OCKCDBCLGRIHRX-LCYFTJDESA-N 298.313 3.883 30 20 CHED COc1ccc2c(c1)[C@H](NCCCCC#N)CCCS2 187950677 FZMFAPDGQLOZGZ-OAHLLOKOSA-N 290.432 3.906 30 20 CHED C#C[C@H](C)NC(=O)c1oc2c(ccc3ccccc32)c1C 185357027 PNDWQCRFROECDI-NSHDSACASA-N 277.323 3.646 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Cl)cc1Cl 120726021 DBASEJWSRGRPDD-CYBMUJFWSA-N 285.174 3.661 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416077757 KHVDKUPUKYHAEE-MORSLUCNSA-N 299.414 3.722 30 20 CHED N#Cc1cccc(COC(=O)/C=C\c2ccc(Cl)cc2)c1 211690260 XVGKHUOUFHUWGM-TWGQIWQCSA-N 297.741 3.968 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)c1ccccc1 121412093 IGHRTBMZEPETMM-CQSZACIVSA-N 272.392 3.769 30 20 CHED C#CCCCCC(=O)Oc1ccccc1OC(F)(F)F 183794458 YQBZHKPWNFGSHG-UHFFFAOYSA-N 286.249 3.684 30 20 CHED C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)Oc1ccc(F)cc1 181829688 OTSSYDXEWDVYNS-KBPBESRZSA-N 298.361 3.815 30 20 CHED C[C@H](CC#N)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 187611070 QLHUTAKJPQLRPM-GFCCVEGCSA-N 292.810 3.717 30 20 CHED C[C@H](CCC#N)N1Cc2ccccc2C2(CCC2)C1 411718334 JHLQSBWRBCZMMF-CQSZACIVSA-N 254.377 3.616 30 20 CHED N#CCCCCN[C@H]1CC[C@H](Cc2ccccc2)C1 189142002 NSXSRNXZMYWEHJ-SJORKVTESA-N 256.393 3.681 30 20 CHED CC(C)[C@@H](CC(=O)NCC1(C#N)CCC1)c1ccccc1 416359328 OWEMJMPFDNBLDJ-MRXNPFEDSA-N 284.403 3.626 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(F)cc2C#N)cc1 182343399 KLZZFCNNRRZLRV-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc2occ(C)c2c1 185780884 LPHHFAFLTCSLCL-LBPRGKRZSA-N 273.332 3.661 30 20 CHED CC(C)[C@H]1CCCN(c2nc3c(cc2C#N)CCC3)CC1 71029192 AFYNGZRYDRPEJT-AWEZNQCLSA-N 283.419 3.704 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC2CCC2)cc1 410139203 WZZWOSAIQZVDGY-CQSZACIVSA-N 273.376 3.702 30 20 CHED COc1ccccc1C1(CNc2cccc(F)c2C#N)CC1 503569467 SCHMRQZXXVQVOY-UHFFFAOYSA-N 296.345 3.850 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc2c(cc1Cl)OCO2 189970491 IPZKPFATZHUUHE-AWEZNQCLSA-N 281.739 3.610 30 20 CHED CC(=O)Nc1cccc(CSCC2(C#N)CCC2)c1 419417399 PWLUKFJPPUEKDA-UHFFFAOYSA-N 274.389 3.572 30 20 CHED O=C1/C(=C/c2csnn2)CSc2ccc(Cl)cc21 45745752 KHZLHCVHOJWMSV-XVNBXDOJSA-N 294.788 3.564 30 20 CHED CC(C)(C)c1cnc(COc2ccc(C#N)c(F)c2)o1 131537778 CLTHCLNRXHJCDB-UHFFFAOYSA-N 274.295 3.562 30 20 CHED CC(C)(C(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 411021031 VSMKEKWAJKDYDU-UHFFFAOYSA-N 276.767 3.781 30 20 CHED CC(C)OC(C)(C)C(=O)Nc1ccc(CC#N)cc1Cl 411017446 PRZJDJOSZFMTCP-UHFFFAOYSA-N 294.782 3.548 30 20 CHED CCC1CCC(C(=O)Nc2ccc(C#N)c(C#N)c2)CC1 328326187 GLQVIGSGRGCMJM-UHFFFAOYSA-N 281.359 3.585 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccccc1 412949843 UOLZIKLSHVALLE-BZUAXINKSA-N 281.355 3.612 30 20 CHED C=CCC1(C(=O)NCCc2c[nH]c3ccccc23)CCC1 190399556 KDWWGIHDKDVMCH-UHFFFAOYSA-N 282.387 3.573 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC(CC)(CC)C1 508494901 RTKHBTJOFQKSSE-UHFFFAOYSA-N 276.428 3.604 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 45026896 UHQFYHBFEJMCCM-LLVKDONJSA-N 283.306 3.580 30 20 CHED CC(C)(CCC#N)CNCCCSc1nccs1 84044726 CZBZGLOILNRBDM-UHFFFAOYSA-N 283.466 3.545 30 20 CHED CCc1ccc([C@@H](C)CC(=O)O[C@@H](C#N)CC)cc1 84711200 SGWXUHKYARNBSS-SWLSCSKDSA-N 259.349 3.588 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1 134502827 ZBNLDQURBNCTSF-SOFGYWHQSA-N 253.326 3.824 30 20 CHED C[C@@H]1CCCC[C@H]1OCC(O)=Nc1ccc2nc[nH]c2c1 329258097 CEODGYQVFQEJCW-IAQYHMDHSA-N 287.363 3.746 30 20 CHED N#Cc1cccc(NCc2c[nH]nc2-c2ccccc2)c1 41638081 JKIHNLSRFXDKAP-UHFFFAOYSA-N 274.327 3.560 30 20 CHED Cc1cc2cc[nH]c2cc1N=C(O)N[C@H]1CSC1(C)C 328739087 LAQBWKPGKUGQDJ-ZDUSSCGKSA-N 289.404 3.505 30 20 CHED CCc1ccc(-c2csc(NC(=O)C(C)(C)C#N)n2)cc1 42092017 QDYNUSSZXHNTSK-UHFFFAOYSA-N 299.399 3.861 30 20 CHED CC[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 48463143 UBRSIAOARUUHPP-KRWDZBQOSA-N 278.355 3.885 30 20 CHED CC(C)Oc1ccc(NC(=O)C[C@H]2C=CCC2)cc1C#N 131006203 VAGJALBQTGGGJP-ZDUSSCGKSA-N 284.359 3.640 30 20 CHED Cc1nc(C)c(N=C(O)Cc2ccc3c(c2)CCO3)s1 329797737 HLGJUEUDOIIPOM-UHFFFAOYSA-N 288.372 3.526 30 20 CHED C[C@@]1(CNc2ccc(Cl)cc2C#N)C[C@H]2CC[C@H]1O2 425274904 BDLCDVYYHXQWRT-YUELXQCFSA-N 276.767 3.581 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCC1CC1 88457688 DAGAESJKXXCNPB-UHFFFAOYSA-N 254.255 3.789 30 20 CHED CCC1CCC(N(C)CCOc2ccccc2C#N)CC1 49024141 SZWMIQXVWKFNBP-UHFFFAOYSA-N 286.419 3.838 30 20 CHED CCN(C(=O)c1cccs1)[C@@H](C)c1ccc(C#N)cc1 45499041 YCVHDNDVVWQKBT-LBPRGKRZSA-N 284.384 3.843 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1ccccn1)c1ccc(F)cc1 194587409 BBSOJVKJGLGJSX-PABFRNLHSA-N 280.302 3.500 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCCC(F)(F)C1 425252258 AQGAEHKLRVOAGF-JTQLQIEISA-N 295.289 3.704 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccn(Cc2ccccc2)c1 337085229 DFUSIBSKTYEKAQ-KRWDZBQOSA-N 282.387 3.621 30 20 CHED CC(C)c1ccc([C@H]2CCCCN2C(=O)NCCC#N)cc1 426440835 ARYWEJWTWBPZCW-QGZVFWFLSA-N 299.418 3.960 30 20 CHED CC1(C)CCCc2cc(C#N)c(N3CCCCC3)nc21 428103377 NWSFHSXNMMDWSO-UHFFFAOYSA-N 269.392 3.557 30 20 CHED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccncc1F 338347031 UHPVPIIGYZHXEG-CYBMUJFWSA-N 297.377 3.873 30 20 CHED CCC(C)(C)C/N=C(/O)c1ccc(NC(C)C)nc1 331205869 ORGNXEQIGIWJGG-UHFFFAOYSA-N 263.385 3.643 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 424870566 KWDPAMFZELAYJB-NSHDSACASA-N 297.320 3.810 30 20 CHED CC(C)(C#N)CCCC[S@](=O)c1ccc(F)cc1 232526507 IJARTHADAOHBAI-SFHVURJKSA-N 267.369 3.653 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCC(C)(C)O1 425536137 OJXCBDBOSYCDCB-CJNGLKHVSA-N 272.392 3.509 30 20 CHED CC(C)CC1(CNC(=O)CC(C)(C)C#N)CCCC1 330759123 LYLCVJLEVGGZFP-UHFFFAOYSA-N 264.413 3.649 30 20 CHED CCc1cccc(NC(=O)N2CCC(C#N)CC2)c1CC 336218927 KBRHFZVLFFPDMU-UHFFFAOYSA-N 285.391 3.579 30 20 CHED COCC1(CCNc2nc(C)c(C#N)cc2Cl)CCC1 338735943 ITMVITFABXMDOD-UHFFFAOYSA-N 293.798 3.534 30 20 CHED CCCN(CC(F)F)c1nc(C(C)(C)C)ccc1C#N 613417186 AMBXFXHPVNXXGT-UHFFFAOYSA-N 281.350 3.732 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/[C@@H]2CCC[C@@H]2C)s1 330372725 APSNPDATJRQPMI-HBNTYKKESA-N 282.409 3.734 30 20 CHED C=CCCC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 338661825 IXFADRCSPSFIOU-LBPRGKRZSA-N 271.282 3.763 30 20 CHED C[C@@H](NC1CCC(F)(F)CC1)c1ccc(C#N)c(F)c1 335104630 VIGZAQOICUBLHM-SNVBAGLBSA-N 282.309 3.926 30 20 CHED N#C[C@@H](NC(=O)[C@H]1CC12CCCC2)c1ccccc1Cl 332777816 MMJMCDQBMIKAKJ-TZMCWYRMSA-N 288.778 3.601 30 20 CHED C=CCC[C@@H](NC[C@@H](OC)c1ccc(F)cc1)C1CC1 90176718 XFQYSHOKCBYODB-IAGOWNOFSA-N 277.383 3.848 30 20 CHED C=CCc1cc(CN(CC(F)F)C(C)C)cc(OC)c1O 92045188 MKJUOMQTCVQQHC-UHFFFAOYSA-N 299.361 3.605 30 20 CHED CC(C)(C#N)CCOc1c(Cl)cccc1[N+](=O)[O-] 232523614 QWIBCCCKDWQRPB-UHFFFAOYSA-N 268.700 3.567 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2ccc(C#N)c(C#N)c2)C1 339656529 FQZIJNKUUMKIIK-LBPRGKRZSA-N 281.359 3.585 30 20 CHED CC1(C#N)CCC(Nc2cccc3c2CCO3)CC1 336225882 ASLLCFPAUGULFX-UHFFFAOYSA-N 256.349 3.506 30 20 CHED C=CCC[C@H](NC(=O)c1cccc(C)n1)c1ccccc1 435296002 QWEWJOMXJUYBMT-INIZCTEOSA-N 280.371 3.827 30 20 CHED C=CCOc1cccc(CNc2ccc(CC#N)cc2)c1 236680580 UVCMWPYAZYFNIO-UHFFFAOYSA-N 278.355 3.930 30 20 CHED N#Cc1ccncc1NC[C@H]1CCCCC(F)(F)C1 291864918 NEUBTTDCBLPMBY-NSHDSACASA-N 265.307 3.581 30 20 CHED C=CCC(C)(C)c1nc(C(C)(C)c2cc(C)ccn2)no1 528262824 RBWAYQSIRJCWMR-UHFFFAOYSA-N 285.391 3.953 30 20 CHED C[C@@H](c1ccccc1)N1CC[C@@H](NCC(C)(C)CCC#N)C1 344217239 QSMPAZFLTRUMPO-FUHWJXTLSA-N 299.462 3.741 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 435052718 XFRRYIKYVQTQGT-OAHLLOKOSA-N 298.430 3.921 30 20 CHED CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C1CC1 348713141 VQUZTVCJMFYEOR-UHFFFAOYSA-N 291.354 3.536 30 20 CHED Cc1cccc(C(=O)N(C)c2ccc(C#N)cc2F)c1C 608799132 SWRSZKDLKIGHAR-UHFFFAOYSA-N 282.318 3.591 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 341241671 YGSKYSVYIWXYMN-IIAWOOMASA-N 283.375 3.649 30 20 CHED CCC[C@H](C#N)NC(=O)c1oc2c(Cl)cccc2c1C 523283481 LSBXTNVZCWPWPN-SNVBAGLBSA-N 290.750 3.817 30 20 CHED C=CCCC[C@@H](C)NCc1cncc(Br)c1 183763619 RNURNKPVNZSQGM-LLVKDONJSA-N 283.213 3.679 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2ccccc2CC#N)CC1 601178802 DAWNXPNPXSGHIR-HNNXBMFYSA-N 284.403 3.651 30 20 CHED Cn1cncc1CCCSc1ccc(Cl)cc1C#N 601914096 UTFCETYZNWIKTN-UHFFFAOYSA-N 291.807 3.670 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 600418797 LLVZKWIENYBWFI-APHBMKBZSA-N 270.376 3.537 30 20 CHED C=CCCOCCN[C@H]1CCSc2c(F)cccc21 181766649 LISOCYOKAUOYOW-AWEZNQCLSA-N 281.396 3.545 30 20 CHED Cc1ccc(CN(c2ccc(C#N)cc2)C2CC2)o1 609585665 SKZADWJIPPPCLK-UHFFFAOYSA-N 252.317 3.629 30 20 CHED CCCCCn1cc(CNc2nc(C)ccc2C#N)c(C)n1 348122344 HPVBDOMBPFMGSC-UHFFFAOYSA-N 297.406 3.569 30 20 CHED C=CCC(CC=C)c1nc([C@@H]2COc3ccccc3O2)no1 445469875 IBUSNZMPGLAZGC-HNNXBMFYSA-N 298.342 3.818 30 20 CHED COCCc1ccc(OCC2(C#N)CCC2)c(Cl)c1 600683173 SIWNYBKWDLGTQU-UHFFFAOYSA-N 279.767 3.602 30 20 CHED CCc1cccc(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 447904502 QKHDZTGWXAKGPO-RTBURBONSA-N 298.430 3.676 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccsc2)ccc1O 255330847 OCFQQNOUFLIUDE-HYXAFXHYSA-N 274.341 3.749 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@](C)(c2ccccc2)C1 448982594 CSRCSILUELWNDS-SFHVURJKSA-N 271.404 3.779 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(F)c(OC)c1 353657796 HWIFYHKONWNYSH-UHFFFAOYSA-N 295.354 3.536 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 356771500 QVOVPNTXMBPPCC-IAGOWNOFSA-N 299.414 3.769 30 20 CHED C[C@H](SCC(=O)NCC(C)(C)C)c1cccc(C#N)c1 600626247 FFWQYIDTJXGUBP-LBPRGKRZSA-N 290.432 3.515 30 20 CHED CC(C)N(CCC#N)Cc1cc(C(F)(F)F)ccc1F 535795762 JQNHMAZQFHLBQS-UHFFFAOYSA-N 288.288 3.969 30 20 CHED C=CCn1c(SC[C@H](F)CC)nnc1-c1ccco1 440573553 HCZIGTWIOXEFKM-SNVBAGLBSA-N 281.356 3.564 30 20 CHED COCCc1ccccc1NCc1ccc(C#N)c(C)c1 443992876 HQIACVWVZYWEMH-UHFFFAOYSA-N 280.371 3.668 30 20 CHED C=CCCCSc1nnc(C)n1-c1ccc(OC)cc1 357067082 CZPLQMCXNNPKDO-UHFFFAOYSA-N 289.404 3.643 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@H](C)Cc1cccs1 537186367 RYIQCMKMLOCRGW-ZIAGYGMSSA-N 294.464 3.971 30 20 CHED N#Cc1cc2c(nc1NCCCc1cccs1)CCC2 538765897 OSQRFABATLWQGS-UHFFFAOYSA-N 283.400 3.548 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H]1c1ccccc1 537189147 GZQVARHMYMHHMD-HOCLYGCPSA-N 272.392 3.888 30 20 CHED COc1ccc(C#N)cc1NC[C@@H]1CCOc2ccccc21 611530355 CNIOAQMPFRPIKR-AWEZNQCLSA-N 294.354 3.545 30 20 CHED COc1cc(CN2C[C@@H](C)CCC[C@@H]2C)ccc1C#N 442884344 KCTLBUWSARRVDQ-KBPBESRZSA-N 272.392 3.577 30 20 CHED CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2C)C1(C)C 614400807 GOOVXUCXZRZLCN-IAGOWNOFSA-N 286.419 3.502 30 20 CHED CO[C@]1(C)C[C@@H](N(C)CCCCC(C)(C)C#N)C1(C)C 444640528 NPWIZTRANZPIHV-RHSMWYFYSA-N 280.456 3.842 30 20 CHED CC(C)(C)OC(=O)CCS[C@H](C#N)C1CCCCC1 440596611 KHUJOCRBDYGAAN-CYBMUJFWSA-N 283.437 3.924 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H]1CCC(C)C)OCC 534452398 UADLGMZJODFUTH-CVEARBPZSA-N 281.440 3.785 30 20 CHED CC(C)c1ccc(C(=O)N2CC[C@@](F)(C#N)C2)cc1Cl 615580112 OMUHBQWTSXZZJT-OAHLLOKOSA-N 294.757 3.541 30 20 CHED N#Cc1ccc(F)c(CSc2nnc(C3CC3)s2)c1 266804659 CTCFGASRILUDIV-UHFFFAOYSA-N 291.376 3.719 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)CCCC2 531070492 VEZHUYHHNFEEBS-UHFFFAOYSA-N 290.366 3.998 30 20 CHED C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F 352605332 LKBZPZSMLGFTKO-YGRLFVJLSA-N 282.309 3.866 30 20 CHED C=CCn1c(C)nnc1N1CCCC(CC)(CC)CC1 350752758 RTFWVIXZJCMVBH-UHFFFAOYSA-N 276.428 3.569 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccccc2CC(F)(F)F)C1 442858233 RKXUGTSVDAKDOF-JQWIXIFHSA-N 268.282 3.896 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618848070 NKJKJSNHPHWJOH-MJEQTWJJSA-N 297.402 3.518 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCC1(C3CC3)CCC1)CC2 353252812 KARNLBWAGDSGOO-QGZVFWFLSA-N 266.388 3.715 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1CCc2cc(C#N)ccc21 618730486 GSVILDQPQAQLED-SIIHOXLZSA-N 296.414 3.878 30 20 CHED C=CCC[C@H](C(=O)N(C)CC1=CCCOC1)c1ccccc1 618384103 NDNHVKHPMQOMOD-SFHVURJKSA-N 299.414 3.542 30 20 CHED CN(C(=O)CC(C)(C)c1ccccc1)c1ccccc1C#N 269836916 MWEVNPIRBKYLDQ-UHFFFAOYSA-N 292.382 3.889 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1 263674059 MVVFDPXPBDDRCD-GFCCVEGCSA-N 273.380 3.607 30 20 CHED C=CC(C)(C)C(=O)NCc1cc2cc(C)ccc2o1 618473044 RHGURJMLVATJPH-UHFFFAOYSA-N 257.333 3.570 30 20 CHED 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CHED CC(C)c1ccc(C2(O)CCC(=NN3CCC3)CC2)cc1 872396797 HPPSKWQBFAYOOY-UHFFFAOYSA-N 286.419 3.633 30 20 CHED C=C1CCN(C(=O)[C@H](CC)Cc2cccc(C)c2)CC1 874382378 HVZNDHWOCOHXJS-QGZVFWFLSA-N 271.404 3.742 30 20 CHED CC(=NNCCCOc1ccccc1)C1CCSCC1 777440840 NQEOAKXVBVAZJH-UHFFFAOYSA-N 292.448 3.564 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(OCC(F)F)cc2)C1 774304022 TYWAFKPTUVBHSM-YPMHNXCESA-N 280.318 3.825 30 20 CHED CC(=NNc1nccc2sccc12)[C@@H]1CCCOC1 779772176 UWIZUWNQOVFSKT-LLVKDONJSA-N 275.377 3.511 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@@](C)(C#N)C1CCCCC1 779993601 PKWBXQDBGGRECU-AHKFDXCISA-N 262.397 3.712 30 20 CHED COC[C@@H](/N=C\c1ccccc1O)c1ccc(Cl)cc1 775236047 XCDCUFIMWBLZPJ-YQYFLZKSSA-N 289.762 3.852 30 20 CHED C[C@H](OC(=O)c1coc(C2CCC2)n1)c1cccc(C#N)c1 774079271 VSZWXKQRVXASTL-NSHDSACASA-N 296.326 3.732 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(-c2ncco2)cc1)C(C)(C)C 879071203 USVBYNBKTVHPBD-CQSZACIVSA-N 297.358 3.511 30 20 CHED C=C(C)CN(C)Cn1nc(-c2ccc(C)cc2)oc1=S 777960330 DEFPRYLEFLBNIA-UHFFFAOYSA-N 289.404 3.646 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc(Cl)cc1 58248279 VPTMRNYENIPVRX-UHFFFAOYSA-N 270.719 3.658 30 20 CHED COC[C@@H](C)NN=C(C)c1ccc(SC(C)C)cc1 777891134 LJNMHSSSTIYQCN-GFCCVEGCSA-N 280.437 3.536 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1cc(F)cc(F)c1 1116939780 FEJPBWHENKPBPA-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cccnc1-c1ccc(C)s1 770798109 QDIKAXOXPNPRDY-NSHDSACASA-N 299.399 3.604 30 20 CHED C#CCCCCN[C@@H]1CCC[C@@H]1Cc1ccccc1 773040122 JVAPEQYLTJNCFS-QZTJIDSGSA-N 255.405 3.791 30 20 CHED Cc1ccccc1C(=O)O[C@H](C#N)C1CCCCC1 776359349 IOKMUBOJXMXCCR-OAHLLOKOSA-N 257.333 3.624 30 20 CHED C=CCSc1ccccc1C(=O)OCc1nccs1 777075026 BBAGMWITINSQMC-UHFFFAOYSA-N 291.397 3.778 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cn1 1120732919 BCPZVRSUHQYCFP-LBPRGKRZSA-N 298.308 3.671 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 770344885 CMGDFAHQBBNROI-AWEZNQCLSA-N 297.402 3.783 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)[C@@H]1[C@@H](C)C1(F)F)c1cccs1 1123266971 LVQVXWYCSFEFDW-QCZKYFFMSA-N 299.342 3.783 30 20 CHED C#CC[C@H](OC(=O)[C@H](C)c1ccccc1C)c1ccccn1 1122695220 TZWYFIWZKCXCES-QAPCUYQASA-N 293.366 3.801 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1oc2c(C)cccc2c1C 1121253703 VRBAXIBTGIYTLR-ZDUSSCGKSA-N 284.359 3.814 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1ccncc1C 783872397 LIQRXKRYLWPHHJ-UHFFFAOYSA-N 296.370 3.540 30 20 CHED Cc1ccc(C=NNc2ccc(C#N)c(Cl)c2)o1 783880841 PDAWJISSNDPCNS-UHFFFAOYSA-N 259.696 3.559 30 20 CHED CC(C)[C@H](Nc1cc(Cl)ccc1C#N)c1cnn(C)c1 896427005 FCEBECBDNAXTAS-HNNXBMFYSA-N 288.782 3.754 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1scnc1C1CC1 782285198 BNZNCTGINFJERH-LBPRGKRZSA-N 263.410 3.523 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(F)cc2C)c(C)n1 899355245 OONOJJLVUOJCKK-VMPITWQZSA-N 272.323 3.555 30 20 CHED CCCC[C@H]1CCCC1=NNCCc1ccccn1 789103276 RQLMPKYONRUKGL-AWEZNQCLSA-N 259.397 3.560 30 20 CHED CC(/C=C\C(=O)c1cccnc1)=C/c1cccc([N+](=O)[O-])c1 787166483 AVVYFVZNEQUGKF-JFEWECSBSA-N 294.310 3.832 30 20 CHED Cc1nsc(N(C)C(=O)C[C@H]2CCCC[C@@H]2C)c1C#N 891432839 GUKQRVPQXPFTDH-CMPLNLGQSA-N 291.420 3.502 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)CCc2c(O)cccc21 782341225 IHBKNPWUQXXDLX-FLIBITNWSA-N 297.379 3.939 30 20 CHED c1ccc([C@@H]2CCCC2=NNCCc2ccccn2)cc1 789125436 YFERGYUHHGDYPJ-KRWDZBQOSA-N 279.387 3.537 30 20 CHED CCCCCCCOC(=O)c1ccc2cc[nH]c2n1 782363775 TVRHDRLPEUQCFK-UHFFFAOYSA-N 260.337 3.690 30 20 CHED CN(C)[C@H]1CCCC(=NNc2ccc3ccccc3n2)C1 788407099 CEBPSACDLFVQLM-HNNXBMFYSA-N 282.391 3.507 30 20 CHED CC(C)c1ncc(CN[C@H]2CCc3cc(C#N)ccc32)s1 785617641 RCPLDTXRJXNTCZ-INIZCTEOSA-N 297.427 3.915 30 20 CHED CC(C)(C)CN(C(=O)c1sccc1C#N)c1ccccn1 891499361 HRDBWZAAOOORCW-UHFFFAOYSA-N 299.399 3.708 30 20 CHED C#C[C@H](CC)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786492288 FADHGJXPOMWYFA-QWHCGFSZSA-N 269.344 3.617 30 20 CHED N#CCSCCCN1CCC[C@@H]1c1ccsc1 74981663 WYIJQWUWPXFDCA-CYBMUJFWSA-N 266.435 3.532 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cn2cc(Cl)ccc2n1 785758598 CCAAMAJEWGNYFV-OAHLLOKOSA-N 292.766 3.633 30 20 CHED N#CCCCCCC(=O)OC/C=C\c1cccc(F)c1 893548665 VIERRHLGRJLUQI-VURMDHGXSA-N 275.323 3.856 30 20 CHED C=CCCCCC[C@@H](C)NCCC(=O)N1CCCCC1 793522342 NAAIEMMSNJWRSZ-MRXNPFEDSA-N 280.456 3.504 30 20 CHED C[C@@H](CC#N)N(C)Cc1cccc(Oc2ccccn2)c1 891934478 UKHXMZOOULXWBB-AWEZNQCLSA-N 281.359 3.608 30 20 CHED COc1ccccc1CON=Cc1sccc1C 799117947 PQIKXQAPTYCVSB-UHFFFAOYSA-N 261.346 3.616 30 20 CHED C#CCCCCCC(=O)Nc1nn(C(C)C)cc1Cl 894880056 BPKOLXOTFBDUML-UHFFFAOYSA-N 281.787 3.640 30 20 CHED CC1CC(C#N)(C(=O)NC[C@H]2C[C@H](C)CC[C@H]2C(C)C)C1 1136488261 JQJSNUUJYPJUST-HCBPCCMXSA-N 290.451 3.751 30 20 CHED COc1cc(/C=C\C(=O)c2cc(F)cc(F)c2)ccc1C#N 799497289 MWWUAHJKONZAMZ-HYXAFXHYSA-N 299.276 3.741 30 20 CHED CC[C@H](C)NN=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 790183957 PWMURLAMUCDNDC-CGTJXYLNSA-N 299.462 3.663 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2ccccc2Cl)[C@H]1C 794453622 UBPQWJSLGZLXPX-WDEREUQCSA-N 294.782 3.717 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)cc2)c1F 1137676315 QTNRJVBATIGHTJ-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CCCCOc1ccc(C=NN[C@@H](C)CC)cc1OC 790184117 QZHABSRQUSUEQY-ZDUSSCGKSA-N 278.396 3.596 30 20 CHED CC(C)O[C@H](C(=O)Oc1ccc(C#N)cc1)c1ccccc1 796710850 DONHXKYPIYFTQY-KRWDZBQOSA-N 295.338 3.630 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1/C=C/c1ccccc1 791068109 OOTDUQOWLBFWMC-JUWLWVHDSA-N 296.414 3.676 30 20 CHED COC(=O)c1csc(C(=O)/C=C/C=C\c2ccccc2)c1 794723915 MELUESYHMKIMKO-VTBWALSUSA-N 298.363 3.987 30 20 CHED C=CCC(C)(C)C(=O)NCCc1c(F)cccc1Cl 1144062780 WLEKDQDIFVVWJQ-UHFFFAOYSA-N 283.774 3.740 30 20 CHED CC1(CNN=Cc2cc(F)c(F)cc2F)CCCC1 793084396 NVLZBEMGMBRLGI-UHFFFAOYSA-N 270.298 3.608 30 20 CHED Cc1cccnc1NN=C[C@@H](C)c1ccc(F)cc1 790189692 CKKDEEKNNVREIP-GFCCVEGCSA-N 257.312 3.731 30 20 CHED N#Cc1ccc(NCc2ccc3c(c2)OCO3)c(Cl)c1 62791214 OPSCCGWMEXAZRZ-UHFFFAOYSA-N 286.718 3.552 30 20 CHED C[C@@H](CNC1CCN(c2ccc(C#N)cc2)CC1)C(C)(C)C 796770606 FUSJAYVHOUMJME-HNNXBMFYSA-N 299.462 3.799 30 20 CHED C[C@H](NN=C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C 793113898 COIAIPXAVKJTCY-SZQAJSQLSA-N 275.352 3.618 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 792316974 DOZKTHSPOZEWOY-JSGCOSHPSA-N 296.773 3.514 30 20 CHED COc1ccc(C=C2C(=O)c3ccccc3C2=O)c(Cl)c1 796986754 OJCMQKDXDPGOFI-UHFFFAOYSA-N 298.725 3.811 30 20 CHED CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 83640438 INNWQSFWWFWWOD-DGCLKSJQSA-N 273.336 3.847 30 20 CHED CC(C)c1nc([C@H]2CCCCN2C[C@@H](C)CCC#N)no1 1308628279 UDNRDYCIQOJBAF-UONOGXRCSA-N 290.411 3.660 30 20 CHED COc1cc(CN(C)[C@@H](C)C2CCCCC2)ccc1C#N 1308736176 XPLMFVYIRNNWQH-AWEZNQCLSA-N 286.419 3.967 30 20 CHED N#Cc1ccc2[nH]c(-c3c(F)cccc3Cl)nc2c1 96874326 NNBGBWNMDHIFDQ-UHFFFAOYSA-N 271.682 3.894 30 20 CHED C[C@@H](C1CCCCC1)N(C)CCOc1ccccc1C#N 1169932936 DYHWFAUTEWJDII-HNNXBMFYSA-N 286.419 3.838 30 20 CHED CCc1nc(C#N)cc(NCC[C@@H](C)CC(C)(C)C)n1 1163054602 IMZNGHXVPCGDMB-GFCCVEGCSA-N 274.412 3.785 30 20 CHED C=CCCCOC(=O)[C@@H](C)c1ccc(F)c(F)c1 1318823340 XMCDVFCGJDVMKX-JTQLQIEISA-N 254.276 3.578 30 20 CHED CC(C)[C@@H]1CCC[C@@H]1Nc1ccc(OCC#N)cc1 1319864416 RICPLRNECDZWJR-HOTGVXAUSA-N 258.365 3.826 30 20 CHED Cc1ccc([C@@H](NC(=O)c2csc(C#N)c2)C2CC2)cc1 1325105111 XHSAVIWDSBFNPO-MRXNPFEDSA-N 296.395 3.809 30 20 CHED N#Cc1cccc(-c2nnc([C@@H]3CC34CCCC4)o2)c1 1324183250 MRUBQBFJILPNQE-ZDUSSCGKSA-N 265.316 3.656 30 20 CHED C#C[C@H](NC(=O)N[C@@H](CC)c1ccc(F)cc1)C(C)(C)C 1325293808 MBMKICXYJGDVPL-GJZGRUSLSA-N 290.382 3.624 30 20 CHED Fc1ccc(CNN=C2CC[C@@H]3CNc4cccc2c43)cc1 1324253921 NSEMRNLGXQWYIM-CYBMUJFWSA-N 295.361 3.623 30 20 CHED C[C@H]1C[C@H](C)CN(c2nc(C(C)(C)C)ccc2C#N)C1 1649266028 TUEAQRXSDIWSLO-STQMWFEESA-N 271.408 3.733 30 20 CHED C=CCCc1ccccc1NC(=O)NC/C=C\C1CC1 1330762451 TWRTWDWPVWXVGU-SREVYHEPSA-N 270.376 3.893 30 20 CHED C#CCCCCC(=O)OCc1nsc2ccccc12 1333376610 VRDSNINKLDGJGY-UHFFFAOYSA-N 273.357 3.533 30 20 CHED CC1(C)C[C@H]1CNc1nccc(Oc2cccc(C#N)c2)n1 1185323122 JPGORPLLLNUIKN-ZDUSSCGKSA-N 294.358 3.599 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2ccccc2cc1OC 1337581569 SVCQQCNEDGFYOT-HNNXBMFYSA-N 296.370 3.613 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H]1CNc2ccccc21 1340081276 YZAQOUCNLNZJSS-HNNXBMFYSA-N 286.419 3.791 30 20 CHED N#CCc1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)n1 1345657569 UKQHKPLOGRJMKU-DZGCQCFKSA-N 255.365 3.528 30 20 CHED C=CCN(C)c1nnc(-c2oc3ccccc3c2C)n1CC 1340151415 DRQPCGQPHQWVBI-UHFFFAOYSA-N 296.374 3.642 30 20 CHED COc1cccc([C@H]2CCCN2C[C@H](C)CCC#N)c1 1262006971 NVLZWOSOLUMSKW-RHSMWYFYSA-N 272.392 3.772 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)CCCC1CCCC1 1262797768 YQURIRHGDVITMO-UHFFFAOYSA-N 291.782 3.906 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]1CC(=O)O 104521248 ILALQFTZUNJSDQ-CQSZACIVSA-N 283.412 3.593 30 20 CHED Cc1cc(Cl)cc(C(=O)[C@@H](C#N)c2cccc(F)n2)c1 1516710880 PNAZGTJHIOLCQL-LBPRGKRZSA-N 288.709 3.673 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccccc1N(C)C 1526752281 PVWFQIXQNXZUMK-CQSZACIVSA-N 287.407 3.715 30 20 CHED CCCCc1ccc(C(=O)Nc2cccc(C#N)n2)cc1 1461146982 AHXJFDQTZBKETP-UHFFFAOYSA-N 279.343 3.548 30 20 CHED C[C@H](C#N)CN[C@H](C)CC12CC3CC(CC(C3)C1)C2 1462075799 PSBQILNICUAJHD-HAWGNNMYSA-N 260.425 3.731 30 20 CHED Cc1nc(C(=O)NCC2(C)CCC(C)(C)CC2)ccc1C#N 1536375797 URWGNQSZQKSBIF-UHFFFAOYSA-N 299.418 3.598 30 20 CHED CC[C@H](C)[C@@H](C)Nc1ncc(C#N)cc1Br 1612006974 KSDXCUXVQMDLFE-DTWKUNHWSA-N 282.185 3.562 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1535439251 FXLDRXVCURWPTO-JQWIXIFHSA-N 292.329 3.991 30 20 CHED CC1(CNc2ncc(C#N)cc2Br)CCCC1 1611961780 PQRRWWOENMMPFL-UHFFFAOYSA-N 294.196 3.708 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 1544187821 UBIMSBYSNMWIAG-JGGQBBKZSA-N 271.360 3.989 30 20 CHED Cc1cc(CN2Cc3ccccc3C[C@@H]2C)ccc1C#N 1621155515 ZGVMHBXGUVSLRQ-HNNXBMFYSA-N 276.383 3.814 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccccc2CC#N)cc1 1625908683 RDFZVAGJIVHXNH-UHFFFAOYSA-N 294.354 3.792 30 20 CHED CCCOc1cccc(CCNc2ccc(C#N)c(C)n2)c1 1559144512 OESGPIAYNMVNNM-UHFFFAOYSA-N 295.386 3.705 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1ccc(C#N)cc1F 1627415281 RGVFUKZPVDZHJI-KRWDZBQOSA-N 294.329 3.804 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NN[C@H](C)C(F)F 1552027728 RPSDSCGRJTYGSS-UXIGCNINSA-N 296.361 3.568 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)Cc2ccc(C(C)C)cc2)n1 1639656506 ZAPBLGIPBQOQPV-ZDUSSCGKSA-N 294.402 3.823 30 20 CHED CCCCCCCCOC(=O)c1cccnc1F 228085661 DQZIZKWBEPKFFS-UHFFFAOYSA-N 253.317 3.738 30 20 CHED N#CC1(CS[C@H]2CCOc3ccccc32)CCC1 1640990768 LKWSDSCXJQIARP-AWEZNQCLSA-N 259.374 3.937 30 20 CHED CC(C)(C#N)CNCc1cnc(-c2ccsc2)s1 1658144280 LTHGECHGHAEPGQ-UHFFFAOYSA-N 277.418 3.511 30 20 CHED C=C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)O 1588702756 XMBCFJNGERBLAO-ZDUSSCGKSA-N 267.284 3.637 30 20 CHED N#Cc1cccc(OCCN2CCCC3(CCCCC3)C2)c1 1653329268 GBSQOMFRQOLKDI-UHFFFAOYSA-N 298.430 3.983 30 20 CHED Cc1ccc(C)c([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)c1 1654032381 OBFMPHFBEVPGNB-BEFAXECRSA-N 294.398 3.559 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1651451700 TWGIENQXPYYYHN-ZXUATJPGSA-N 293.823 3.905 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(C(=O)O)ccc2C)cs1 1777420837 BEXCNJQHKSMDCL-XQRVVYSFSA-N 286.352 3.959 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCc2ccccc2C1 150726628 UTQYGURGHVPHHU-OAHLLOKOSA-N 283.415 3.676 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)C=C1CCC1 150921717 CAJVPZZJCQJLPS-GFCCVEGCSA-N 286.400 3.987 30 20 CHED CN(Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1C#N 158388515 MUVRNIIBEOWNSR-UHFFFAOYSA-N 290.288 3.608 30 20 CHED Cc1ccsc1CCCC(=O)Nc1ccc(C#N)cc1 160014257 JFNBGRPHIZYNCH-UHFFFAOYSA-N 284.384 3.890 30 20 CHED CCC[C@@H](C(=O)Oc1ccc(C#N)cc1OC)C(C)C 152456063 FVXCJHWFPNTDKM-CYBMUJFWSA-N 275.348 3.545 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(Cl)nc1C 152223215 QJRKXCRUDPXUDK-UHFFFAOYSA-N 279.767 3.855 30 20 CHED C=CCN1CCC[C@@H](COc2ccccc2Cl)C1 157005963 FCYUGRBHQPXRLY-CYBMUJFWSA-N 265.784 3.617 30 20 CHED CCCCOc1ccc(NC(=O)N[C@@H](C)CC#N)c(C)c1 157747748 XSFCTOZWZVATAD-ZDUSSCGKSA-N 289.379 3.598 30 20 CHED C=CCN(C)C(=O)Nc1cccc(-c2nc(C)cs2)c1 157285935 BJFCKFCKULPAPV-UHFFFAOYSA-N 287.388 3.768 30 20 CHED COc1cc(C#N)ccc1COc1cccc2cccnc12 159573629 WMZIVUWUGJZQHL-UHFFFAOYSA-N 290.322 3.694 30 20 CHED COc1cc(C#N)ccc1NCCCc1ccccc1 127980180 CKAGHSXODOGTQT-UHFFFAOYSA-N 266.344 3.612 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccccc1Cl 42267244 AMNVZZIGXRMCQE-UHFFFAOYSA-N 270.763 3.844 30 20 CHED N#Cc1cccc(OCc2ccc(C#N)cc2Cl)c1 162971239 DQLGJRXACQBOLV-UHFFFAOYSA-N 268.703 3.662 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](Nc2ccc(C#N)nn2)CC1 302531433 LKWOLXGPFIBKMC-STQMWFEESA-N 272.396 3.755 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(Cl)c(Cl)c1 315523489 FXZOCWCVDWPPOD-UHFFFAOYSA-N 285.174 3.663 30 20 CHED Cc1ccc(CNc2ncc(C#N)cc2Cl)cc1F 339227753 COMLKIOJPPULAR-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CCCOC(=O)CCSc1ccc(C)c(C)c1 729072525 MVFURXNYMXTXSA-UHFFFAOYSA-N 264.390 3.905 30 20 CHED C=CCOC(=O)c1ccccc1C(=O)c1ccc(C)cc1 6070823 YCLLXKBICMILAO-UHFFFAOYSA-N 280.323 3.569 30 20 CHED CCC(CC)=NNC(=S)Nc1cccc(C)c1C 7008049 MLLIXBHAHLQYAB-UHFFFAOYSA-N 263.410 3.766 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(CC#N)cc1 7369119 KFYWMLPQYDSDGO-IUODEOHRSA-N 287.432 3.618 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1ccc(F)c(F)c1 7712438 NKHFJWQEVBMYBL-QPJJXVBHSA-N 260.239 3.567 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(F)c(F)cc1Cl 57158008 MPZCYXPQVXQURB-UHFFFAOYSA-N 273.710 3.656 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2CC=CCC2)c1 55723146 NOJHRKWKSIPABX-CYBMUJFWSA-N 257.333 3.546 30 20 CHED Cc1ccc2cc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)[nH]c2c1 116808707 FUVMPFPNAOVMDX-FZKQIMNGSA-N 295.386 3.679 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccccc2C#N)n1 178670137 WHRGIGXUHSVRBD-SFHVURJKSA-N 277.371 3.599 30 20 CHED CC[C@H](c1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1 173960664 FBIAGFRRMZDQQV-QGZVFWFLSA-N 299.395 3.624 30 20 CHED N#Cc1ccc(OCCSCCOc2ccccc2)cc1 58031232 HSHSDVXXOIXCNA-UHFFFAOYSA-N 299.395 3.749 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1ccc(F)c(C#N)c1 179597005 XRSRXHTTYJVFJM-JKSUJKDBSA-N 292.423 3.851 30 20 CHED C=CC[C@@H](C)NC(=O)c1csc(-c2ccccc2F)n1 116856872 NKQSEPSDVONZMK-SNVBAGLBSA-N 290.363 3.644 30 20 CHED C=CC[C@@H](CO)CN[C@H](CCCC)c1ccccc1 341883796 VLCVOHSXDVLASF-NVXWUHKLSA-N 261.409 3.692 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccncc1Cl 174222262 CZMQNPQLZNRWDL-UHFFFAOYSA-N 286.762 3.563 30 20 CHED CC(C)Oc1ccccc1CN(C)Cc1cccc(C#N)c1 53355521 WYLORIWKTZVHIQ-UHFFFAOYSA-N 294.398 3.977 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(C#N)cc1 68709059 UARGEEURANRTLT-SJORKVTESA-N 284.403 3.576 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)OC1CCCCC1 119726061 WBQHZYISFJTQAH-HNNXBMFYSA-N 267.413 3.539 30 20 CHED N#Cc1cccc(N2CCC[C@H](c3ccccc3)CC2)n1 301260100 FWOCYDOMQYKYDL-INIZCTEOSA-N 277.371 3.727 30 20 CHED C[C@H]1CC[C@H](CCC(=O)O[C@@H](C)c2ccc(C#N)cc2)O1 175795880 FNLBCJUMCBGACM-HEHGZKQESA-N 287.359 3.510 30 20 CHED Cc1ccc(N/C(N)=N\C[C@H]2CCC[C@H](C)C2)cc1 303906196 ZUEQVJSIWKXYTR-KBPBESRZSA-N 259.397 3.548 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1 179412696 FOZGWCHYKKUZCF-SOFGYWHQSA-N 257.720 3.940 30 20 CHED COc1ccc(CCCNc2cccc(F)c2C#N)cc1 301095637 PPFNTTRYQHSWIS-UHFFFAOYSA-N 284.334 3.751 30 20 CHED C#Cc1cccc(N(C)CCCOc2ccc(OC)cc2)c1 303215577 SXNMLSPXAILPGO-UHFFFAOYSA-N 295.382 3.582 30 20 CHED COc1cc(F)cc(CNc2c(Cl)cccc2C#N)c1 301940239 UJUJTXYTJWREKT-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(C#N)c(Cl)c1 301918151 WJJHROVZIRYBTM-QMTHXVAHSA-N 290.750 3.729 30 20 CHED N#Cc1cc(F)ccc1NC(=O)CCCC1CCCC1 177569786 OKJNSARHSIZQFO-UHFFFAOYSA-N 274.339 3.996 30 20 CHED C[C@H](Nc1sccc1[N+](=O)[O-])c1ccc(C#N)cc1 302013161 ZUWLCVBLHACFTB-VIFPVBQESA-N 273.317 3.701 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc2c(c1)N(C)CC2 1347705216 JCYVCRWFNCRDGQ-INIZCTEOSA-N 299.418 3.641 30 20 CHED C[C@@H]1Cc2ccccc2N1c1snc(Cl)c1C#N 301928503 LAOXWCPXSRKKIS-MRVPVSSYSA-N 275.764 3.751 30 20 CHED COc1ccc([C@H](C)CCNCc2ccc(C#N)cc2)cc1 174507583 YQXVUCHKONZXNY-OAHLLOKOSA-N 294.398 3.850 30 20 CHED CC(C)c1ccc(-c2nc(C(=O)N[C@@H](C)C#N)cs2)cc1 125422318 UIJPOCHJBNFGBH-NSHDSACASA-N 299.399 3.575 30 20 CHED C[C@H](N[C@H](C)CC#N)c1ccc(Cl)cc1Cl 37871230 UZKBVDZGWGDRML-BDAKNGLRSA-N 257.164 3.946 30 20 CHED CCCCCCCC(=O)NC[C@H](C)Oc1ccccc1 303617257 PDZRJCWWVLNXOR-HNNXBMFYSA-N 277.408 3.931 30 20 CHED C=CCC[C@@H](CCC)NC[C@H](O)c1ccc(F)cc1 124909337 FAVOGJTZCYQVNT-CVEARBPZSA-N 265.372 3.584 30 20 CHED N#CCCCN[C@H](COc1ccccc1F)c1ccccc1 180327160 BUJMJFWZPLKFIU-QGZVFWFLSA-N 298.361 3.839 30 20 CHED N#Cc1ccc(N2CC[C@H](c3c(F)cccc3F)C2)cc1 302222797 PBBWQFBPIZYWQE-ZDUSSCGKSA-N 284.309 3.830 30 20 CHED Cc1cc(Sc2ccc(C#N)c(C(F)(F)F)c2)ncn1 302198654 UGRQNOUEOCQNEX-UHFFFAOYSA-N 295.289 3.827 30 20 CHED CC(C)(C)[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(F)cc1 181231707 LTKOVWIUOSGXNV-HNNXBMFYSA-N 299.349 3.543 30 20 CHED N#CCN(C(=O)CCc1cc(Cl)cs1)C1CCCC1 125245610 ZGLVFIWVLYLAFO-UHFFFAOYSA-N 296.823 3.629 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1ccc(Cl)cc1 79218276 SEOMFYSSYWCNDY-GFCCVEGCSA-N 278.783 3.785 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C 183402716 FOMXAUIBGOILIX-XJKSGUPXSA-N 272.392 3.528 30 20 CHED N#Cc1ccsc1C(=O)Oc1cccc(C(F)(F)F)c1 127973357 JVFUPTDYVDSOMP-UHFFFAOYSA-N 297.257 3.858 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(CC)ccn2)C(C)C)c1 180195473 BMZMGDYTUMJOAE-UHFFFAOYSA-N 292.382 3.681 30 20 CHED CCN(CC)C(=O)c1ccccc1Oc1ccccc1C#N 182144916 LICPKYIVKUZWJU-UHFFFAOYSA-N 294.354 3.833 30 20 CHED C#CCC(C)(C)C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 186030067 HYXOZCZEOBJIJJ-UHFFFAOYSA-N 297.442 3.918 30 20 CHED C[C@H](SCCC#N)c1nccn1-c1ccccc1 413013669 HMEDUSAMDRPFNW-LBPRGKRZSA-N 257.362 3.580 30 20 CHED C[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H]1C 410512284 JIVUKFNUZAWTKR-HUUCEWRRSA-N 298.430 3.774 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2F)CCCCC1 412676035 UPNSRDGHELEJPL-ZIAGYGMSSA-N 267.388 3.910 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(Cl)c2cccnc12 129602757 YRGLBNOLOORQHW-LLVKDONJSA-N 273.767 3.622 30 20 CHED C=CCN(CC=C)C(=O)c1csc(-c2ccc(C)o2)n1 78777196 CNJBGAOVPGUDRU-UHFFFAOYSA-N 288.372 3.526 30 20 CHED C=CCCCCCN(C)[C@H](CCO)c1ccccc1 488411773 BUEIJJULTJDDIS-QGZVFWFLSA-N 261.409 3.788 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1F 42336070 MJIZFHSFBFZCNJ-LLVKDONJSA-N 272.298 3.687 30 20 CHED CC[C@H](CC#N)NC(=O)C(C)(C)c1ccc(Cl)cc1F 188726799 ZWFFYOWHAGJUQM-LLVKDONJSA-N 296.773 3.565 30 20 CHED C[C@@H](O)C[C@H]1CCCCCN1CCC1(C#N)CCCCC1 411715838 DJBHVUQEMRMWGL-IAGOWNOFSA-N 292.467 3.866 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c[nH]1 181195586 XLNCXLOWHXJAFV-OAHLLOKOSA-N 299.761 3.517 30 20 CHED C=C(C)CCc1noc(C[C@H](C)c2cccc(OC)c2)n1 508592859 CKLPLPFVLMJUQX-ZDUSSCGKSA-N 286.375 3.933 30 20 CHED C=C(C)[C@H](NC(=O)CC[C@@H](C)OC)c1ccc(F)c(F)c1 186041001 ZIECWFIUYAVIAN-BZNIZROVSA-N 297.345 3.513 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccc(OC)cc1 181387771 NBRITYCHIFJVJL-CQSZACIVSA-N 290.407 3.581 30 20 CHED C=CCCCC(=O)NC[C@]1(C)C[C@H]1c1ccccc1 501741032 HRQOZQPCLMFCIO-RDJZCZTQSA-N 257.377 3.653 30 20 CHED COc1ccc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@H]2C)cc1 213219628 FYCKSILJZIAITB-YWEFTTLKSA-N 298.313 3.923 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)CCC)c1 76831507 QFQWRNAXEUNOEV-UHFFFAOYSA-N 267.328 3.594 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)c(F)c2)[C@H]1C#N 444726008 IAAAKBXHLWXBDR-AWEZNQCLSA-N 280.774 3.993 30 20 CHED CC#CCCCC(=O)NC(C)(C)c1cccc(C)c1 185842502 XTMPHKAIFACSEY-UHFFFAOYSA-N 257.377 3.540 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416063331 OBTQLSHCGPJXJV-UONOGXRCSA-N 287.403 3.722 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 188060500 CYVCTECTZDMHEH-LRDDRELGSA-N 272.348 3.518 30 20 CHED C=CCCSCc1c(F)cc([N+](=O)[O-])cc1F 507115382 IDNIMFPYMVXSHY-UHFFFAOYSA-N 259.277 3.682 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(C)c2ccccc12 415630963 OPNHGIKRPOCBMD-CQSZACIVSA-N 280.371 3.913 30 20 CHED N#Cc1ccc(Cl)c(C(=O)NCCC2CCCCC2)c1 505397155 TVNWJDZOGVSTHB-UHFFFAOYSA-N 290.794 3.912 30 20 CHED COc1ccccc1CN(Cc1ccc(C#N)s1)C1CC1 130174440 HFWKAZGSFYAHBZ-UHFFFAOYSA-N 298.411 3.793 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccn1C1CCCC1 410126235 WYCFETCSJSXHDJ-CYBMUJFWSA-N 260.381 3.688 30 20 CHED CC(C)(C)c1n[nH]cc1/C(O)=N/[C@@H]1CC12CCCCC2 329055298 XQIPJPKKRRJBJP-GFCCVEGCSA-N 275.396 3.735 30 20 CHED CCN(Cc1ccc(F)cc1Br)C[C@@H](C)C#N 42323748 MVIQQWLWBNOVAM-JTQLQIEISA-N 299.187 3.570 30 20 CHED CCn1cc(/C=C2/C[C@@H](C)c3ccccc3C2=O)cn1 131150645 CNSZHJWRLLYZTQ-OJLMPMFISA-N 266.344 3.677 30 20 CHED CCCCS[C@H](C)C(=O)Nc1cc(C#N)ccc1C 49520727 SWSUDDXLPUMOAV-GFCCVEGCSA-N 276.405 3.727 30 20 CHED O/C(=N/[C@@H]1CSc2ccccc21)c1conc1C1CC1 329604051 YSYVYRXVXCVVSI-GFCCVEGCSA-N 286.356 3.704 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)CC 519857061 HVUXXJKMNHXHNC-ZDUSSCGKSA-N 276.428 3.747 30 20 CHED CCCCCCCC[S@](=O)Cc1cccc(OC)n1 190850662 SBUZRQPNOKILBX-IBGZPJMESA-N 283.437 3.699 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC[C@H](N)C2)c(C(F)(F)F)c1 420273083 DXADLXABYUXPTP-NEPJUHHUSA-N 297.324 3.506 30 20 CHED COc1ccc(F)cc1[C@H](C)/N=C/c1ccccc1O 48501916 NVQJCXIEMPPZQU-HPAYWCODSA-N 273.307 3.720 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](CC)Oc1ccccc1F 424698548 FHKPPSGXIANWFQ-ZDUSSCGKSA-N 293.382 3.702 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1nc2ccsc2s1 337854994 KTMDTDDNPGHZIN-UHFFFAOYSA-N 299.380 3.790 30 20 CHED C=CC[C@H](C)[C@@H](C)NCC(=O)Nc1ccc(C)cc1Cl 425367977 JFGMBOACMKXQAP-QWHCGFSZSA-N 294.826 3.777 30 20 CHED CC(C)N(CCC#N)Cc1ccsc1C(F)(F)F 529523907 FZPZDPPGNGKOTB-UHFFFAOYSA-N 276.327 3.891 30 20 CHED C=CCOc1ccc(CN2CC[C@@H]3CCC[C@H]32)cc1 428454482 RGJJPMDQGJHZCA-DOTOQJQBSA-N 257.377 3.626 30 20 CHED CC(=O)Nc1cc(/C(O)=N/C[C@@H]2CC[C@H](C)C2)ccc1F 331062650 CXHRTFPXRDMQJR-CMPLNLGQSA-N 292.354 3.525 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnc2c(c1)CCCC2 424756680 GSNYUVBHOYYAPN-UHFFFAOYSA-N 258.365 3.501 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2nccs2)C1 339030158 TVEVDUITUNYXDX-BPLDGKMQSA-N 283.400 3.514 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1c(F)cccc1F 424568781 MSKVYWOLRMXCBA-JTQLQIEISA-N 267.319 3.744 30 20 CHED CC[C@H](C)CNCc1ccc(OC)c(OCCCC#N)c1 421386722 RQJIGUDFFZITMA-AWEZNQCLSA-N 290.407 3.513 30 20 CHED C[C@H](C#N)C(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 335998321 QMLBMAIOCONFBV-RKDXNWHRSA-N 285.174 3.672 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425382542 IDSMHIDKIJRBEF-CPUCHLNUSA-N 299.418 3.839 30 20 CHED COc1ccc(C/N=C(/O)N[C@@H]2CC[C@H](C)C2)cc1Cl 331228088 ODDHKVASNRDFMO-CMPLNLGQSA-N 296.798 3.541 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](C)CCCC(F)(F)F 511401080 WZWSKQNXXCSNLT-SNVBAGLBSA-N 298.308 3.718 30 20 CHED Cc1cccc(CN(C)Cc2cn3ccccc3c2C#N)c1 337641275 YBAQTHSJWOVGFR-UHFFFAOYSA-N 289.382 3.751 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 334361191 BQMLXTZZTRCNDC-NEPJUHHUSA-N 275.314 3.534 30 20 CHED C[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(C#N)cc1Cl 336106839 JEZVSZDBYRKWKB-AOOOYVTPSA-N 277.755 3.616 30 20 CHED CC(F)(F)c1cccc(-c2noc(C(C)(C)C#N)n2)c1 334671000 MDLNCEGDVSHZJT-UHFFFAOYSA-N 277.274 3.649 30 20 CHED COc1cc(CN[C@@H](C)c2cccc(C)c2)ccc1C#N 234938492 OQBREKREKFCLPO-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1cccs1 436287204 UCUBNYTYUOVFFQ-IPYPFGDCSA-N 265.422 3.770 30 20 CHED Cc1c(F)cccc1NC(=O)[C@H](C#N)CCc1ccccc1 433376464 JSVGCDCOGOBMHN-HNNXBMFYSA-N 296.345 3.845 30 20 CHED CCOc1cccc(/C=C2/Cc3ccccc3C2=O)c1 98008548 XWZKNNJIDDZPRF-GDNBJRDFSA-N 264.324 3.908 30 20 CHED CC(C)(CC(=O)NCC1(CC#N)CC1)C1CCCCC1 431154118 XPWYBOOBALKIPL-UHFFFAOYSA-N 276.424 3.793 30 20 CHED Cc1ccncc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430609721 INRDLBVJBGNERN-LLVKDONJSA-N 299.399 3.634 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](C)C1 345167101 OFFJESUWEVEWSB-JSGCOSHPSA-N 286.375 3.720 30 20 CHED Cc1csc(CNc2ccc(C#N)c(C(F)(F)F)c2)n1 49534654 ULAXMBPZGADPGN-UHFFFAOYSA-N 297.305 3.954 30 20 CHED Cc1ccnc(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1C#N 435594803 XYIXEGBGDKKHCL-NNUKFRKNSA-N 299.324 3.898 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H]1SCC 343623436 OYDBDYFUXPGHDJ-KBPBESRZSA-N 267.438 3.545 30 20 CHED N#CCc1ccc(C[S@@](=O)C/C=C/c2ccccc2)cc1 342262947 ZDSMMFDXSRBTQV-XBGMYJNYSA-N 295.407 3.715 30 20 CHED CCC[C@]1(C)CCCN(C(=O)Nc2ccc(C#N)cc2)C1 437662835 OYVUZGKPIHQRKZ-QGZVFWFLSA-N 285.391 3.992 30 20 CHED CC(C)N(CCC#N)Cc1cccc(OC(F)(F)F)c1 534337019 DMQWXXSRYVUPFS-UHFFFAOYSA-N 286.297 3.709 30 20 CHED CCC1(CC)CCCN(C(=O)CC(C)(C)C#N)CC1 346827165 HQUQESVYNJGUGI-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C=CCCN(C)C(=O)c1ccc(C)c(Oc2ccncc2)c1 344277535 IIVJRGHYWLAMJH-UHFFFAOYSA-N 296.370 3.830 30 20 CHED CC[C@H](C#N)NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 245699759 CEDWCJUKGKKGPR-OAGGEKHMSA-N 294.439 3.560 30 20 CHED CCCN(Cc1ccccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 524892971 VJPMJZUJFQUZNS-KZNAEPCWSA-N 298.430 3.584 30 20 CHED C[C@@H](CCC#N)CN(C)[C@@H]1CCCc2ccccc21 602436595 XHSJBNXHDHLQEW-WMLDXEAASA-N 256.393 3.936 30 20 CHED C[C@H]1CCCN(C(C)(C)CN[C@H](C)c2ccc(C#N)cc2)C1 245941059 UZKUSMSEWKCOCV-JKSUJKDBSA-N 299.462 3.719 30 20 CHED C[C@H](SCc1nnc(C2CC2)o1)c1cccc(C#N)c1 527197612 DBAREZFXEGHDHJ-JTQLQIEISA-N 285.372 3.813 30 20 CHED C=CCCCN(Cc1cccc(OC)c1)C[C@H]1CCCO1 522775921 QJZABMZURGSXIP-GOSISDBHSA-N 289.419 3.642 30 20 CHED C[C@H](CCC#N)CN(C)[C@H](C)Cc1cccc(F)c1 602687536 MUYMVWSGKKDURJ-ZIAGYGMSSA-N 262.372 3.628 30 20 CHED C=CCCOCC(=O)N1CCCC2(CCCCCC2)C1 608199616 LIKATBMHIKHCFG-UHFFFAOYSA-N 279.424 3.542 30 20 CHED CC(C)N(Cc1ccco1)Cc1cn2ccccc2c1C#N 346351901 XPBQXJZQDGOCME-UHFFFAOYSA-N 293.370 3.815 30 20 CHED Cc1ccc2c(c1)OCC/C(=C/c1cncs1)C2=O 255331058 CYWUVFJXFOECJH-XFFZJAGNSA-N 271.341 3.500 30 20 CHED CCCCc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 609503658 XJGZVCZCBQTTLA-UHFFFAOYSA-N 279.343 3.548 30 20 CHED C[C@H](CCC#N)CN1CCO[C@H](c2ccccc2Cl)C1 602462643 NUDBRECRSQPGNP-CJNGLKHVSA-N 292.810 3.653 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)C1 345303926 KUSSGEJNJQAKMV-TZMCWYRMSA-N 285.391 3.755 30 20 CHED CO[C@H](CSCCCC#N)c1ccc(F)cc1 600635494 LTSGANWDRSFFOD-CYBMUJFWSA-N 253.342 3.550 30 20 CHED C=CCC1(NC(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)CCCCC1 521566528 WRAUBTZZGSFRES-QDMKHBRRSA-N 294.439 3.521 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CC1CCSCC1 602694093 YBCFKQVPDCLVMA-CYBMUJFWSA-N 274.433 3.694 30 20 CHED C=CCN(CCc1csc(C)n1)Cc1ccccc1F 348082142 SXHSQQJJRZEDMG-UHFFFAOYSA-N 290.407 3.821 30 20 CHED N#Cc1ccc(/C=C\c2ccc(F)cc2Cl)nc1 255641139 XODVOPMSOMURRA-UTCJRWHESA-N 258.683 3.916 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)CC1(CC#N)CC1 602802352 ZWJSKNBJWSQNJT-UHFFFAOYSA-N 266.747 3.605 30 20 CHED Cc1ccnc(N(C)Cc2nc3ccccc3s2)c1C#N 343524148 ZAGSSGNFDXJKQQ-UHFFFAOYSA-N 294.383 3.508 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1cccc(CC#N)c1 444452997 FMVNEJBTMVOZAZ-UHFFFAOYSA-N 289.338 3.795 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1O 250833958 SRPVLFDDNOSZKJ-BRWVUGGUSA-N 295.467 3.889 30 20 CHED CC(C)Cc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1 603510404 QLMRUOKTUBHKKZ-UHFFFAOYSA-N 292.382 3.687 30 20 CHED CC(C)(CC(=O)N(CCC#N)CCC#N)C1CCCCC1 355047037 XBDBSUKODIFERK-UHFFFAOYSA-N 289.423 3.639 30 20 CHED COc1cc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1C#N 442838470 SQRYQAZNCCCTMS-XKQJLSEDSA-N 284.403 3.577 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1(C)CCCCC1 539464272 GFQDBMVCLKNTOW-CYBMUJFWSA-N 252.402 3.753 30 20 CHED Cc1ccccc1C[C@@H]1CCCN1CCCCC#N 358964114 HQTHUIVLODYVCG-KRWDZBQOSA-N 256.393 3.696 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccccc1OCC 538342162 ZFSIBGSQUPXKCO-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSc1ccc(F)cc1 539433249 CRFHEAXDXCAPAR-GFCCVEGCSA-N 281.396 3.779 30 20 CHED C=CCN(C(=O)CCc1cc(Cl)cs1)C1CC1 357525409 KAACUWMDAXFURH-UHFFFAOYSA-N 269.797 3.511 30 20 CHED CCN(CCC#N)C(=O)c1ccc(C)c(Cl)c1Cl 448774583 ZZMZOFSMFZOIAI-UHFFFAOYSA-N 285.174 3.678 30 20 CHED C=CCCCCCN(C)C(=O)Cc1cn(C)c2ccccc12 606816640 HRWCGZXCLRZRLN-UHFFFAOYSA-N 298.430 3.926 30 20 CHED C=CCn1c(C2CC2)nnc1N(Cc1ccccc1)C1CC1 350622992 JJHAOUZUASRDFU-UHFFFAOYSA-N 294.402 3.511 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)[C@@H]1CC[C@H](C)C1 359257928 XFYYWWXASVJINL-DZGCQCFKSA-N 288.439 3.747 30 20 CHED CN1CCCN(Cc2ccc(C#N)cc2F)c2ccccc21 533529363 RULWOZUBPUISOC-UHFFFAOYSA-N 295.361 3.544 30 20 CHED C=CCCC1(C(=O)Nc2ccc(N3CCCCC3)nc2)CC1 353824962 JRFGVYZATWGEML-UHFFFAOYSA-N 299.418 3.757 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1c(C)ccnc1C 351922413 GGZYCTPRPGROEZ-LBPRGKRZSA-N 261.369 3.565 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)C[C@H](CC#N)c1ccccc1 356693115 IJMZVWVFKYZEAZ-BHYGNILZSA-N 284.403 3.863 30 20 CHED C=CCCCCCOc1ccc(OC)c(OC)c1 447327219 SRCBHIRWBHMMQR-UHFFFAOYSA-N 250.338 3.829 30 20 CHED C[C@@H](CCC#N)N1CCC[C@@H]1c1cccc(N(C)C)c1 351470734 FMKIVZLBZIWPPW-WMLDXEAASA-N 271.408 3.582 30 20 CHED Cc1cccc(F)c1NC(=O)N(C)Cc1cccc(C#N)c1 353768848 PSGCEQKUXWMFAV-UHFFFAOYSA-N 297.333 3.670 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N2CCCC3(CCCC3)C2)c1 445661093 AOJNXSRSJRFEGZ-UHFFFAOYSA-N 285.347 3.627 30 20 CHED CCC[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 610707729 FIAOKTLHEDZEQF-GJZGRUSLSA-N 299.418 3.841 30 20 CHED Cc1cc(C#N)ccc1CN1CCCN(C)c2ccccc21 614403882 VUZFNQQBGODCJT-UHFFFAOYSA-N 291.398 3.713 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)C[C@H](C)C#N 266922585 NFUALZTZNSZVMT-SECBINFHSA-N 299.296 3.637 30 20 CHED CC[C@@H](Nc1cccc(CCO)c1)c1ccc(C#N)cc1 453403082 MWUBMENMGZDCDK-GOSISDBHSA-N 280.371 3.656 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1CC1(C#N)CCC1 451978651 BLBDGMCSJHCQCK-INIZCTEOSA-N 272.367 3.965 30 20 CHED C=CCC1(CNC(=O)CC[C@H](C)SC)CCCC1 456483567 HKSMXLUKPKCJPD-ZDUSSCGKSA-N 269.454 3.771 30 20 CHED C=CCCNC(=O)CCCCc1nc2ccccc2s1 617612946 YVDVIKVNZVBJHL-UHFFFAOYSA-N 288.416 3.701 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N[C@H]1CCc2cc(C#N)ccc21 618802369 DMRHIBLAEBUIHC-KSZLIROESA-N 298.430 3.729 30 20 CHED C=CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 459889206 OIPKBOMYEULORJ-UHFFFAOYSA-N 288.347 3.978 30 20 CHED CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 455698779 GKWSUUZHBQZHCX-RISCZKNCSA-N 291.782 3.716 30 20 CHED C[C@@H]1C[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)CCO1 361705584 QWNNAJKIJOQCAT-MNOVXSKESA-N 298.308 3.804 30 20 CHED C=C(C)CCNC(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl 454555785 UCPLFIAJKYZZGS-MFKMUULPSA-N 296.773 3.600 30 20 CHED CC(C)(C#N)CC(=O)NCCc1cc(Cl)cc(Cl)c1 278191262 DPTSPJAUOKXCLC-UHFFFAOYSA-N 299.201 3.592 30 20 CHED C=CCC1(C(=O)N[C@H]2CCOC(C)(C)C2)CCCCC1 450223514 NEGFPBJADYHESF-AWEZNQCLSA-N 279.424 3.587 30 20 CHED CC[C@@H](NCc1cnc(C)cc1C)c1ccc(C#N)cc1 453364824 ORKDCIANSVFMDF-GOSISDBHSA-N 279.387 3.811 30 20 CHED C=CCCCC(=O)N1C[C@H](C)C[C@H]1c1cccc(OC)c1 368253520 HVVFSRLZBIPTAW-PBHICJAKSA-N 287.403 3.961 30 20 CHED CCN(CC#N)Cc1cc(Br)c(Cl)s1 276746716 KBRJSXRCGDJPQN-UHFFFAOYSA-N 293.617 3.509 30 20 CHED CC(C)c1cccc(NC(=O)NCC(C)(C)CC#N)c1 459234704 OHHOCABJQZVZEG-UHFFFAOYSA-N 273.380 3.871 30 20 CHED CC(C)(C)c1ncc(/C=C/c2ccncc2C#N)s1 276375513 RQEVVEYOPYWNAI-SNAWJCMRSA-N 269.373 3.878 30 20 CHED CCc1cccc(N(C)C(=O)[C@@]2(C#N)CC23CCCC3)c1 457322819 FNSAIRHGVHJSQV-SFHVURJKSA-N 282.387 3.686 30 20 CHED CC(C)(Cc1ccccc1)C(=O)Nc1cccc(CC#N)c1 456742273 ZRRJWMODJNQTEX-UHFFFAOYSA-N 292.382 3.960 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1cc(C)ccn1 542383256 QBXRJARYJJRHEI-UHFFFAOYSA-N 287.407 3.990 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)Cc1cccc(F)c1 458737692 PNSYGDBVMNGWJV-XJKSGUPXSA-N 292.398 3.753 30 20 CHED N#CC1(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CCC1 273796443 XNZVIUAVCIZVPL-UHFFFAOYSA-N 294.141 3.989 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)CCc1ccc(O)cc1 270777543 WLYCBRIJIOCCOW-CQSZACIVSA-N 287.403 3.598 30 20 CHED C=CCN(C(=O)C[C@@H]1CCc2ccccc21)C(C)(C)C 622944303 MXKJOLKWLRTACE-HNNXBMFYSA-N 271.404 3.920 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1c(C)cccc1C 546913596 XNRJUDQJSQNYRP-UONOGXRCSA-N 260.381 3.628 30 20 CHED Cc1cc(C(F)(F)F)ccc1C(=O)N[C@H](C#N)C(C)(C)C 450110698 FQMMXGLDKQDMSM-GFCCVEGCSA-N 298.308 3.682 30 20 CHED C=CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 271352603 JNHMOSOUOORZCY-UHFFFAOYSA-N 283.375 3.670 30 20 CHED Cc1ccc2c(OCc3ccccc3C#N)cccc2n1 546779500 MLAFIDXLKRDWTH-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=CCC[C@H](C(=O)NCC1=CCCC1)c1ccccc1 620008398 LOHZQWWFNYUEJH-KRWDZBQOSA-N 269.388 3.963 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H]2CC(C)C)c1C#N 542279252 RQHQCWNEGRQHRM-LBPRGKRZSA-N 277.799 3.930 30 20 CHED Cc1ccc(C(=O)CCN[C@H](C)c2ccc(C#N)cc2)cc1 274839951 OGPSDUJLTAEPNK-OAHLLOKOSA-N 292.382 3.790 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2C2CCC2)ccc1Cl 544628725 OKAWRBYWUHJLKP-OAHLLOKOSA-N 288.778 3.616 30 20 CHED C=CCC(CC=C)C(=O)N[C@](C)(C1CC1)C(F)(F)F 469116114 WYYUAJFMLFVRKK-CYBMUJFWSA-N 275.314 3.602 30 20 CHED C[C@H](SCCOC1CCC1)c1cccc(C#N)c1 289051511 ABKMEHQSTUYNMW-LBPRGKRZSA-N 261.390 3.922 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](Oc1ccc(Cl)cc1)C(C)C 462126326 NPPJHWTWDOHNHG-SWLSCSKDSA-N 295.810 3.824 30 20 CHED CC(C)n1nccc1/C=C1\CCc2cc(F)ccc2C1=O 280005429 IENKFSDPGKSINK-JLHYYAGUSA-N 284.334 3.816 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(SC)cc1 282338078 UWBFBPPCAHOFQF-VXGBXAGGSA-N 278.421 3.733 30 20 CHED CC(C)[C@H](C#N)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 463825548 GAFJWHGASXXRNM-MCIONIFRSA-N 264.413 3.503 30 20 CHED N#CCCCOc1cccc(CN2CC[C@@H](C3CC3)C2)c1 377393073 REPIEHODIVTILP-QGZVFWFLSA-N 284.403 3.601 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC2(CCC2)[C@H]1C1CC1 289862765 QNIDIAJBSHEHCI-MRXNPFEDSA-N 295.386 3.663 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1CN(CC)CC 466426691 RWFGOVQUBGIFGO-YESZJQIVSA-N 294.483 3.606 30 20 CHED C=CC[C@H](C)NC(=O)Nc1nc(C)c(C(F)(F)F)s1 554584542 XZPNDQNJVFPLIZ-LURJTMIESA-N 293.314 3.556 30 20 CHED CCc1ncnc(Oc2cc(C)c(C#N)c(C)c2C)c1F 557762340 HURAXQSQGVYJFL-UHFFFAOYSA-N 285.322 3.767 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N(C2CCCC2)C2CC2)c1 556830792 JDHOJWQAZXGVRT-UHFFFAOYSA-N 288.778 3.759 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 288429246 QXIJWFSGRABRMS-KRWDZBQOSA-N 287.403 3.798 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1nccn1-c1ccccc1 287251574 ZOBLIMNRHYMUDZ-HRCADAONSA-N 294.402 3.605 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 285085298 SHLYJFNAEWDPRF-SFHVURJKSA-N 299.418 3.801 30 20 CHED N#Cc1ccnc(N[C@H]2CCC[C@@H]2Cc2ccccc2)c1 557604814 XKEILCRFPAWFKX-SJORKVTESA-N 277.371 3.777 30 20 CHED C=C[C@H](C)N[C@H](C)Cc1cccc(C(F)(F)F)c1 467356848 VCZAWUUVKZDHMG-WDEREUQCSA-N 257.299 3.801 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(Cl)ccc1O 280779126 IAXLEOXUSCQXNX-OZVIIMIRSA-N 295.810 3.677 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(C2CCC2)c1 282084007 ALXUSHYMFQVGKS-OAHLLOKOSA-N 270.376 3.622 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc(Cl)c(F)cc1Cl 559377440 FUKPUAFREAYIGT-ZETCQYMHSA-N 289.137 3.555 30 20 CHED CCCCCCCC(=O)N[C@@H](CC1CCCCC1)C(=O)O 385686653 FEBFJVSXZOSCLL-HNNXBMFYSA-N 297.439 3.887 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)NC1(C#N)CCCCC1 475470833 LWHIQANSVHMPBG-KBPBESRZSA-N 262.397 3.545 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)=C(C)C 804559881 KWHKCWIDBUWQRO-UHFFFAOYSA-N 289.423 3.725 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)[C@@]1(C#N)CC12CCCC2 297624561 HOWXDAGWOBEWLR-KUHUBIRLSA-N 294.398 3.606 30 20 CHED Fc1ccc(C=NN[C@@H]2CCSC2)c(Cl)c1Cl 808003194 KSBDVLUADQRORM-MRVPVSSYSA-N 293.194 3.562 30 20 CHED C[C@@H]1/C(=C2\COc3ccc(F)cc32)C(=O)c2ccccc21 809158958 GGCXNTBQLJKHLU-IJCFTNORSA-N 280.298 3.972 30 20 CHED CC(=O)c1ccc(OC(=O)[C@@]2(C#N)CC23CCCC3)c(C)c1 298616739 INSFAHKTVKITJF-SFHVURJKSA-N 297.354 3.577 30 20 CHED C=CCOCCCN(C)[C@@H](c1ccccc1)C(C)C 470771216 FLWHRXVINFJOOF-QGZVFWFLSA-N 261.409 3.908 30 20 CHED C=CCOCCCOc1ccc(C(F)(F)F)cc1 563781964 VELCRGLKHQPCOF-UHFFFAOYSA-N 260.255 3.677 30 20 CHED FC(F)(F)c1ccc(C#CCNC2(C3CCC3)CC2)cc1 649808857 SJRNRSWIYAYYEO-UHFFFAOYSA-N 293.332 3.979 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnn(CC(F)F)c2)c(C)c1 292318193 MBPJPFBDVJMIMF-GQCTYLIASA-N 290.313 3.661 30 20 CHED C=CCC[C@@H](NC[C@@H](C)N1CCC(C)CC1)c1ccco1 569754102 FIDJKVBQYNALHV-IAGOWNOFSA-N 290.451 3.997 30 20 CHED C[C@@H]1CC/C(=C\C(=O)NCc2ccc(C#N)c(Cl)c2)C1 801070437 INXVKGGBXSKYFW-OYGDSYQHSA-N 288.778 3.574 30 20 CHED COc1cc(F)ccc1N[C@H]1CCc2ccc(C#N)cc21 562085758 MDVCSAZLIFIQGW-HNNXBMFYSA-N 282.318 3.805 30 20 CHED CC(C)[C@H](NCCO[C@@H](C)C#N)c1ccc(Cl)cc1 801910834 BNSZQYYBVXDIIC-WFASDCNBSA-N 280.799 3.555 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1OCC 486752448 JOMOCQPJRNORNC-ZDUSSCGKSA-N 274.364 3.658 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](C(=O)O)C[C@@H](C)C1 398833417 IDWGQJOJVBDBFI-CABCVRRESA-N 297.439 3.696 30 20 CHED C=CC[C@H](C(=O)N(C)Cc1ccoc1)c1ccccc1 488714215 TUBNFEWLOYOCNQ-INIZCTEOSA-N 269.344 3.598 30 20 CHED Cc1cc(F)ccc1C1CCN(c2cccc(C#N)n2)CC1 488443859 GXYILAXSOLKRBT-UHFFFAOYSA-N 295.361 3.785 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CC1=CCCCC1 564548026 KVAPLHLQGBBINM-GOSISDBHSA-N 294.398 3.942 30 20 CHED CCOC1CC(=NNc2c(Cl)cccc2Cl)C1 814871799 KDUIJBDXNUMHHO-UHFFFAOYSA-N 273.163 3.960 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC[C@H]1CCF 811667916 GROHWTDYKJUTBP-KGLIPLIRSA-N 278.371 3.559 30 20 CHED Cc1cc(CN2CCCC(C)(C)[C@H]2C#N)ccc1F 562489563 RGSFTWINKHIHLP-OAHLLOKOSA-N 260.356 3.648 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 815658585 GMJSPVGTLFNDFO-QMMMGPOBSA-N 291.700 3.868 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCCCCSC(C)=O 819499614 HUJWAFNGEIUCMS-UHFFFAOYSA-N 285.453 3.545 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1ccc(C#N)s1 487037142 KPEQKMYQYSNWBB-SNVBAGLBSA-N 264.394 3.564 30 20 CHED CCCC(=NNc1nccnc1C1CCC1)c1ccccn1 814932384 YFIMRKZTTSQECP-UHFFFAOYSA-N 295.390 3.755 30 20 CHED C=CCC[C@@H](NCCc1ccc(N)cc1)c1ccco1 817956742 BRYRFYOAWCCZBQ-MRXNPFEDSA-N 270.376 3.701 30 20 CHED N#Cc1cc(NC(c2cccs2)c2cccs2)ncn1 570028210 KBDAFJIAICMTIT-UHFFFAOYSA-N 298.396 3.673 30 20 CHED C=CCC(C)(C)c1noc(C[C@H](O)CC[C@H](C)CC)n1 815705177 ARCOHXAMDWGYOB-CHWSQXEVSA-N 280.412 3.653 30 20 CHED C[C@@H]1C(=NN[C@H]2CCCC2(C)C)CC[C@H](C(=O)O)C1(C)C 814917773 QUIOPWRFWQOSNG-BZPMIXESSA-N 294.439 3.668 30 20 CHED C=CCNC(=O)N[C@H](C)c1ccc(F)c2ccccc12 579268998 RZJDQFHTTBXTJF-LLVKDONJSA-N 272.323 3.525 30 20 CHED C=CCCCC(=O)OCc1oc(C(C)C)nc1C 813225605 LTCLOMDVBMESTO-UHFFFAOYSA-N 251.326 3.506 30 20 CHED C[C@H](C=NNc1ccc(C(=O)O)cc1)C1CCCCC1 814680959 QESQHRZECWTVGV-GFCCVEGCSA-N 274.364 3.999 30 20 CHED CCC#C[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 810128048 JIMWUXCJLVNYOU-HZPDHXFCSA-N 298.430 3.656 30 20 CHED C=CCCCCCCCN1C(=O)N(C)C2(CCCC2)C1=O 811841669 OVXYFYVHEPXSFL-UHFFFAOYSA-N 292.423 3.720 30 20 CHED C=C(C)CN1CCC(c2c(F)cccc2F)CC1 485856150 OTLLRMXHQABYSA-UHFFFAOYSA-N 251.320 3.720 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccccc1C#N 814916068 PVLJOPKVXSFSCZ-UHFFFAOYSA-N 283.306 3.542 30 20 CHED CC(C)(O)CCSCc1ccccc1C(C)(C)C#N 570940352 FVKQSSYEWOHOQE-UHFFFAOYSA-N 277.433 3.882 30 20 CHED C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccc(C#N)cc1 488467248 XBALVLDWONVJJU-AWEZNQCLSA-N 282.362 3.760 30 20 CHED C=CCCCCOC(=O)COc1ccccc1Cl 811012273 DSJMMMSQUXADRJ-UHFFFAOYSA-N 268.740 3.618 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](C)[C@H](CN)C1 818010019 HFUKFRXKBLDNLG-IAGOWNOFSA-N 296.499 3.961 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2csc(C)c2C)cc1 571202970 RPCONLJHBHHAKO-MRXNPFEDSA-N 298.411 3.922 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc2ccccc2c1 814814047 URFKKOYNZGJPJM-UHFFFAOYSA-N 262.255 3.957 30 20 CHED C#Cc1cccc(N(C(=O)CC2CC(F)(F)C2)C(C)C)c1 825905663 QIWLZOGKNSIJSB-UHFFFAOYSA-N 291.341 3.845 30 20 CHED C#C[C@@H](NCc1ccc(Cl)nc1)c1ccc(Cl)cc1 491752118 VPJHHRHWARVUEB-CQSZACIVSA-N 291.181 3.853 30 20 CHED CCCC[C@](C)(F)C(=O)N[C@H](C)c1ccc(C#N)cc1 821048535 DGUCHOXRGUOXQV-WBMJQRKESA-N 276.355 3.654 30 20 CHED C=CCN(C(=O)Nc1c(C)cccc1Cl)[C@@H](C)COC 666730960 MSBHXUZWIRZSTL-LBPRGKRZSA-N 296.798 3.703 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](C)C(C)C)c1 498086553 VLGJCYJDSUSGKO-ZDUSSCGKSA-N 261.365 3.872 30 20 CHED C=C1CCN(C(=O)c2cc(C)sc2-n2cccc2)CC1 668303631 NQDSNHQTWKIAGW-UHFFFAOYSA-N 286.400 3.639 30 20 CHED COc1cccc(NN=C(C)c2ccc(C)c([N+](=O)[O-])c2)c1 725853682 RHTDULRPMMLDCC-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C#CCN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C1CC1 491691823 PWTNVTMZIQXSCJ-LLVKDONJSA-N 295.304 3.590 30 20 CHED N#CC1(CCCCOC(=O)c2c(F)cccc2F)CCC1 908703936 VAUNIOYUHSJGNN-UHFFFAOYSA-N 293.313 3.986 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C1CC1 665899597 ROVRVWGJVDJHPY-ROUUACIJSA-N 298.430 3.758 30 20 CHED C=C1CCC(CNCc2ccc(C(=O)O)c(Cl)c2)CC1 905730911 RTVOHVARHBHMOP-UHFFFAOYSA-N 293.794 3.874 30 20 CHED COc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1C 734305010 DPFDODLTWIOSGU-ZSOIEALJSA-N 282.314 3.965 30 20 CHED CNc1ccc(C)cc1CN[C@H](C)c1ccc(C#N)cc1 902054503 GZLKBKUFJLOCMY-CQSZACIVSA-N 279.387 3.759 30 20 CHED C=CC[C@H](C)NC(=O)/C=C\c1cc(C)c(C)cc1C 735068308 VASIPUVLJJBKHQ-CDNLZTBQSA-N 257.377 3.706 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H]3CCC[C@@H](C#N)C3)coc2c1 839052957 CHNUSNMNQYPPDC-UKRRQHHQSA-N 297.354 3.909 30 20 CHED C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cccc(C#N)c1 903428400 OGWKFEJHODRVGO-FZKQIMNGSA-N 277.371 3.755 30 20 CHED C=CC(C)(C)CNC(=O)Cc1coc2c(F)c(F)ccc12 908939097 DAJXOTRCRXDSIX-UHFFFAOYSA-N 293.313 3.582 30 20 CHED CCCOc1ccc(NC(=O)CCCCCC#N)cc1 588162933 SYPAEUYIUHSPCW-UHFFFAOYSA-N 274.364 3.888 30 20 CHED C=CCCCCS(=O)(=O)Cc1cc2ccccc2o1 583309636 MCQXIKFYECUMQI-UHFFFAOYSA-N 278.373 3.704 30 20 CHED CN(CC1(c2ccccc2)CC1)C(=O)CCCCCC#N 588164866 WCKNQPGHIPVRCJ-UHFFFAOYSA-N 284.403 3.651 30 20 CHED CCCCCCCCCC(=O)N(C)C[C@@H]1CCCN(C)C1 734447132 JCYZNROMQFSNPN-QGZVFWFLSA-N 296.499 3.927 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)Cc2cccc(O)c21 834444835 SGZNMGRYUWBICV-XFFZJAGNSA-N 283.352 3.549 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 736400586 ZPJWDVXHJRTOOP-OAHLLOKOSA-N 294.826 3.998 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CC(C)(C)c2ccccc21 837482765 ZROBSFKEHNVLEV-OAHLLOKOSA-N 269.388 3.575 30 20 CHED CCC#C[C@@H](C)N[C@H](c1ccc(OC)cc1)C1CC1 678893773 TUWCMUIYBWHHAY-DYVFJYSZSA-N 257.377 3.538 30 20 CHED Cc1cccc2sc(C(=O)N(C)[C@H](C)C#N)c(Cl)c12 590994160 MJMGIKHXLWFHOM-SECBINFHSA-N 292.791 3.847 30 20 CHED CCc1oc(C(=O)O)cc1CSc1ccc(C#N)cc1 830395285 XOXKRYOQOUVZFL-UHFFFAOYSA-N 287.340 3.704 30 20 CHED C=C(Br)COC(=O)[C@H](CC)c1ccccc1 918837591 YZDLUCSTAGNQAY-GFCCVEGCSA-N 283.165 3.632 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 598522413 QTNWSTATUBHFQI-JKSUJKDBSA-N 282.387 3.523 30 20 CHED COc1ccccc1CON=Cc1ccc(C)cc1 836728634 MZQYFUUHDOWUFC-UHFFFAOYSA-N 255.317 3.554 30 20 CHED CCC[C@@H](C(=O)N[C@H](C#N)C(C)C)c1cccc(Cl)c1 599412429 PDFLFZHSMSPIME-HUUCEWRRSA-N 292.810 3.888 30 20 CHED N#Cc1ccc(OC(=O)C2CCCCCCC2)cc1 741505332 OMSBSBXDYKEHEY-UHFFFAOYSA-N 257.333 3.824 30 20 CHED C=C(CNC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1 672482700 FWMOOXHYIZULNT-HNNXBMFYSA-N 257.377 3.642 30 20 CHED Cc1c(NN=C[C@H]2CC[C@@H](C)C2)cccc1C(=O)O 844622572 GHAJOCXNBNCLEW-PWSUYJOCSA-N 260.337 3.527 30 20 CHED C[C@H]1CC(=NNc2ncnc3sccc23)C[C@H](C)C1 747754803 DRWJNOBJJZIWTK-NXEZZACHSA-N 274.393 3.915 30 20 CHED N#CCC[C@H](C#N)CNCc1ccc(Cl)c(Cl)c1 594733134 YKLIGIYWGIAOFV-LLVKDONJSA-N 282.174 3.527 30 20 CHED C=CCC[C@@H](OC(=O)CCc1scnc1C)C1CC1 842324492 CNAXPGBMIDYRAN-CYBMUJFWSA-N 279.405 3.672 30 20 CHED Cc1cc(CSCC2(C#N)CCC2)cc(Cl)n1 842193235 JXUCUQPNFXTDQV-UHFFFAOYSA-N 266.797 3.971 30 20 CHED N#Cc1nc(N2CCCc3ccccc3C2)sc1Cl 596120811 DVTGEWHXNUMPTP-UHFFFAOYSA-N 289.791 3.621 30 20 CHED COC(=O)/C=C/c1ccc(/C=C2\CCCC(C)(C)C2=O)o1 848640161 IKRQQKGGCJRJBP-MVKOLZDDSA-N 288.343 3.628 30 20 CHED N#CC1(CCOC(=O)Cc2ccc(F)cc2)CCCCC1 840009903 CIPLNARXWWJEIO-UHFFFAOYSA-N 289.350 3.776 30 20 CHED Cc1cccc2c1CCN2C(=O)CC1(C#N)CCCCC1 596993684 VXYZHMXOXZLJDC-UHFFFAOYSA-N 282.387 3.748 30 20 CHED C=CCCCC(=O)OCc1coc(-c2cccc(F)c2)n1 748240512 PVCPCRPYYJRQED-UHFFFAOYSA-N 289.306 3.880 30 20 CHED COCc1csc(/C=C\C(=O)c2coc(C(C)C)n2)c1 849247287 APHLOFQJUNOGSM-PLNGDYQASA-N 291.372 3.902 30 20 CHED N#CC1(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)CCCCC1 597035026 XWVUOPYLTCWRNY-WKILWMFISA-N 288.435 3.936 30 20 CHED O=C(O)Cc1ccc(NN=C2CCC[C@H]2CCCF)cc1 848414337 MBAZCPIFMUXTIS-ZDUSSCGKSA-N 292.354 3.631 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1ccnn1CC1CC1)C2=O 849250480 UPJOXZKJIXRMLS-OMJMQIJPSA-N 292.382 3.985 30 20 CHED C=C[C@H](C)ONC(=O)CCC[C@H](C)c1cccc(OC)c1 846555961 WAFKUIHDHQFSIY-KBPBESRZSA-N 291.391 3.591 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccnc(O)c1 925754969 KRWAOKBKDNFSPM-CYBMUJFWSA-N 297.358 3.643 30 20 CHED C=CCN(C(=O)Nc1ccc2c(c1)CC(C)(C)O2)C(C)C 759539965 QGDFGVVAUSPEJP-UHFFFAOYSA-N 288.391 3.828 30 20 CHED C[C@H](OC(=O)C[C@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 759548749 YCBRUNWJQNJBDF-RDBSUJKOSA-N 271.360 3.989 30 20 CHED COc1cccc(C2(N[C@@H](C)CC(C)(C)C#N)CC2)c1 925897552 PQHXYCARYIHBOO-ZDUSSCGKSA-N 272.392 3.602 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCc2cc(F)ccc21 924843212 JSUMFNUILHCCMB-ABAIWWIYSA-N 260.356 3.731 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(F)cc1C 750933030 WCLOKIOVUMGJEK-UHFFFAOYSA-N 281.334 3.928 30 20 CHED C=CCCCCCCNC(=O)c1cc(C#N)ccc1F 854452605 ZWIWWOFXRUOKTD-UHFFFAOYSA-N 274.339 3.564 30 20 CHED N#CCSc1ccccc1C(=O)OC[C@@H]1C[C@@H]2C[C@@H]2C1 851413780 RTLMHNFPWMMLPB-XYYAHUGASA-N 287.384 3.505 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cccc(Br)c1 858187694 JNRZKZUYPOLGJK-UHFFFAOYSA-N 296.164 3.684 30 20 CHED Cc1ccc2c(c1)CC[C@H]2/N=C/c1cc([N+](=O)[O-])ccc1O 920177953 MLDVKUPLXHVCLC-VHWUNXFSSA-N 296.326 3.715 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1csc(C(C)(C)C)n1 925662255 HOYJUVVWSBKJAK-GFCCVEGCSA-N 293.480 3.901 30 20 CHED CCCCCCCCNC(=O)Cc1c(C)noc1Cl 755213170 AOKXUOLPQHPMSW-UHFFFAOYSA-N 286.803 3.656 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccccc1Br 758374696 VMYQLVDTNUBXME-BDAKNGLRSA-N 253.143 3.503 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cc(F)ccc1F 757473683 GBBLRGDJDXGKIF-RJRFIUFISA-N 295.266 3.831 30 20 CHED C=C(C)CN(CC)C(=O)/C=C\c1ccc(Cl)cc1 920967904 TURCVCPLCQUSCB-YFHOEESVSA-N 263.768 3.778 30 20 CHED C#CCCCCCC(=O)N(Cc1ccccn1)CC(C)C 928736920 NPAZXHXUJPXKNF-UHFFFAOYSA-N 286.419 3.650 30 20 CHED CCCc1ccc(C=NN2Cc3ccccc3C2=O)s1 857211600 JUBSHUDCDUGZDQ-UHFFFAOYSA-N 284.384 3.691 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C1/CC[C@@H](C)C1 753624680 LRZUIJHWAVTOFH-YGYTWAPGSA-N 287.334 3.523 30 20 CHED CCCCCCCNC(=O)N[C@H](C)c1cnn(C(C)C)c1 858111843 VPHRDCQTVKHMOI-CQSZACIVSA-N 294.443 3.795 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1cccs1 759070734 CJTUMRHVXRTNKW-ONEGZZNKSA-N 255.751 3.754 30 20 CHED C/C(=C/c1ccc(Cl)cc1)C(=O)N(C1CC1)[C@@H](C)C#N 855582808 OTTOZBYNXRUWOH-MMRAYRKESA-N 288.778 3.646 30 20 CHED C[C@@H](/N=C\c1ccccc1O)c1ccc(F)cc1F 752153139 YCWXLVCNJZEUQL-PQQLAPNWSA-N 261.271 3.851 30 20 CHED CCCc1ccc(C(C)=NO[C@@H]2CCCCO2)cc1 755817012 IULMEGIFFVHYEP-MRXNPFEDSA-N 261.365 3.906 30 20 CHED N#Cc1ccc(C2CCN(CCC3CCOCC3)CC2)cc1 933606118 DOTWSPPZGQXTEM-UHFFFAOYSA-N 298.430 3.554 30 20 CHED CCn1cc(/C=C\C(=O)c2cc3ccc(C)cc3o2)cn1 754825127 NKZJQQHXVAAIEM-ALCCZGGFSA-N 280.327 3.854 30 20 CHED C=CCN(C(=O)CCCSC(C)(C)C)C(C)C 754005941 HYLOMPWEGAHLMT-UHFFFAOYSA-N 257.443 3.721 30 20 CHED CCCCCCC[C@@H](C)CNCC1=CCCOC1 769926157 JABLNNIFQMGHGX-OAHLLOKOSA-N 253.430 3.919 30 20 CHED C/C=C(/C=C/C(=O)N(CCC#N)CC(C)(C)C)CC 765425784 BFXTVNXQGBPEAG-AUWUINOXSA-N 262.397 3.687 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C(C)(C)C1CCCCC1 768140876 YDKDRSLXRUOPOR-CQSZACIVSA-N 264.413 3.647 30 20 CHED Cc1cc(NN=CCc2ccc(C(C)C)cc2)nc(C)n1 760250925 PHKOXJXQBUANAT-UHFFFAOYSA-N 282.391 3.857 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)c(OC)cc1F 934612095 NLKLDDMDXSMBMZ-VIFPVBQESA-N 269.291 3.514 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccccc1Cl 766428230 DZERVYUOUPGEQP-CYBMUJFWSA-N 252.745 3.697 30 20 CHED C#CCCCCc1nc([C@H]2CCc3ccccc3C2)no1 762244237 PBEZTAVEOALPQJ-INIZCTEOSA-N 280.371 3.688 30 20 CHED C#CCCOC(=O)Cc1csc2ccc(Cl)cc12 765503642 UEGLPLYYSMMVPL-UHFFFAOYSA-N 278.760 3.664 30 20 CHED Brc1csc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)c1 774598438 YLAZURITGAYNJD-AUTRQRHGSA-N 299.237 3.623 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)Cc2ccccc2CC#N)[C@@H]1C 779373013 VBQWXJXNFZKLLE-CPUCHLNUSA-N 285.387 3.663 30 20 CHED C#CCCCCC(=O)Nc1cc(C)nn1CCCCC 773408408 GOCNJWVOJGKWBZ-UHFFFAOYSA-N 275.396 3.514 30 20 CHED CS[C@H]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)C1 1116650574 BDCPCNDFYSMUOH-GJZGRUSLSA-N 294.851 3.928 30 20 CHED CC(C)(C)Oc1cccc(CNCC2(C#N)CCC2)c1 877595200 UZJVJAGEFZDHSO-UHFFFAOYSA-N 272.392 3.647 30 20 CHED N#Cc1cc(F)ccc1COC(=O)CC(C1CC1)C1CC1 1115985330 LQTOSKNFHSCLDM-UHFFFAOYSA-N 287.334 3.567 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cc(F)ccc1F 777906620 YRWGSOBPTDTIRE-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=CCN(C(=O)c1ccc([C@@H](C)CC)cc1)C1CC1 771828195 UDBBUSSHBMIHPC-ZDUSSCGKSA-N 257.377 3.991 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 1539317486 SDAFREZZKNAZPN-CABCVRRESA-N 278.440 3.990 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1ccc[nH]1 777449559 XDQASZIAGXTPSR-QGZVFWFLSA-N 269.392 3.596 30 20 CHED CON=Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 875580954 FKMWWJHSTBNQOY-UHFFFAOYSA-N 288.734 3.573 30 20 CHED C#CCCCCCC(=O)N(C)[C@H]1CCc2ccccc21 779774359 VLOUQZUEUVIQGT-KRWDZBQOSA-N 269.388 3.716 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1ccc2cc[nH]c2c1 771339259 NWLWZLNSPPUEOZ-UHFFFAOYSA-N 293.297 3.516 30 20 CHED COc1ccc(O)c(C=Nc2cc(C)cc(F)c2)c1 770476487 FJBJSNPCHVYGTQ-UHFFFAOYSA-N 259.280 3.599 30 20 CHED CC(C)C(CNCc1ccc(O[C@@H](C)C#N)cc1)C(C)C 775014055 YCHPODCRTAGKAW-HNNXBMFYSA-N 288.435 3.995 30 20 CHED Cn1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)n1 773144786 LWADHNOKAKUBBG-MDZDMXLPSA-N 268.360 3.614 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CCO[C@@H]1C 770689248 PMVBVKUFGWZUPO-ZNMIVQPWSA-N 269.429 3.524 30 20 CHED C=CC(C)(C)C(=O)Nc1n[nH]c(-c2ccccc2OC)c1C 889440879 NUZQWRIRIORKQX-UHFFFAOYSA-N 299.374 3.544 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)OCCC(C)(C)C#N 776385161 NPQNDXZQCMKNMS-HNNXBMFYSA-N 273.376 3.738 30 20 CHED C#CCCCCN[C@@H]1CCC[C@H]1Cc1ccccc1 773040126 JVAPEQYLTJNCFS-ZWKOTPCHSA-N 255.405 3.791 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1C[C@H](C)C[C@@H]1C 1122596901 ZVJWLNVPQMAHSU-AGIUHOORSA-N 294.468 3.513 30 20 CHED C#C[C@H](N[C@H](C)c1cccc(Cl)c1Cl)[C@@H]1CCCO1 775572643 BYXFLLGNQNPRBC-SWHYSGLUSA-N 298.213 3.825 30 20 CHED COc1c(C)cc(C(=O)Nc2cccc(CC#N)c2)cc1C 1129087574 CSPMTTCTBQVTEM-UHFFFAOYSA-N 294.354 3.630 30 20 CHED Cc1cc(C=NNc2ccc(C#N)c(Cl)c2)c(C)o1 783876376 UBDTUUIYSJBJCX-UHFFFAOYSA-N 273.723 3.868 30 20 CHED C=CCN(C(=O)c1cc2ccccc2nc1Cl)C(C)C 1123553733 JXUDCMZEWJDZMT-UHFFFAOYSA-N 288.778 3.925 30 20 CHED Cc1ccoc1C(=O)/C=C/c1scnc1C1CC1 782347410 KNQZLXCGGSKHKA-SNAWJCMRSA-N 259.330 3.818 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 888288187 DNFBEJWCUXJFLF-LBPRGKRZSA-N 288.347 3.518 30 20 CHED CC1(C)/C(=C/c2cccnc2)C(=O)c2cc([N+](=O)[O-])ccc21 788364359 YFOQZHGHVSHYLA-OVCLIPMQSA-N 294.310 3.547 30 20 CHED C=CCC[C@H](C)Nc1cccc(CCCOC(C)=O)c1 783678384 SJSJFBVOUSWWAC-AWEZNQCLSA-N 275.392 3.949 30 20 CHED C=CCCN(C[C@H]1CC[C@H](C)O1)OCc1ccccc1 789424117 VBDMPQNZZWELGV-DOTOQJQBSA-N 275.392 3.564 30 20 CHED Cc1ccc(C)c(/C=C2/Cc3cc(O)ccc3C2=O)c1 780186672 MVHAGMIZEGZGBU-NVNXTCNLSA-N 264.324 3.831 30 20 CHED N#CCCNC(=O)Nc1ccc2oc3ccccc3c2c1 785616773 WXTFQVJDPYWKAM-UHFFFAOYSA-N 279.299 3.621 30 20 CHED CCCCCCCC(=O)Nc1cccc2c1OCCC2=O 780190005 MHKFHWCSVOCWRN-UHFFFAOYSA-N 289.375 3.951 30 20 CHED C=C(C)CCC(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 1121216422 ZKVVDXUFUQLXNR-MRXNPFEDSA-N 270.376 3.628 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccc2ccccc2n1 782226749 VDRYBFPJFOETEK-SFHVURJKSA-N 299.370 3.507 30 20 CHED C=C1CC(c2noc(-c3cc([N+](=O)[O-])c(C)cc3C)n2)C1 896873504 BMKDRGMUXGSAHG-UHFFFAOYSA-N 285.303 3.695 30 20 CHED Cc1cc(/C=C2\Cc3cc(O)ccc3C2=O)cnc1Cl 780187185 CUKFDDOBMKIPSN-LFYBBSHMSA-N 285.730 3.571 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc2ccccc2n1 785759638 NNROFEXCRJMULR-KRWDZBQOSA-N 269.344 3.880 30 20 CHED CCc1c(C(C)=NOC[C@H]2CCOC2)oc2ccccc12 788033175 GERHYSROSQEMGR-ZDUSSCGKSA-N 287.359 3.772 30 20 CHED C=CC[C@@H](NC(=O)c1csc(Cl)c1)c1ccncc1 786187850 AFHMKQJCYLWZKI-GFCCVEGCSA-N 292.791 3.844 30 20 CHED CC(C)Oc1ccccc1C=NOCCCCCF 789568196 XKGWVQUYWWGPLJ-UHFFFAOYSA-N 267.344 3.964 30 20 CHED Cc1nsc(NCc2ccc(Cl)s2)c1C#N 86254976 KAPKXZBBLSIWBW-UHFFFAOYSA-N 269.782 3.650 30 20 CHED C=CC(C)(C)CC(=O)OC[C@H](C#N)Cc1cccs1 892907607 LDZXQOJGKJKHBS-LBPRGKRZSA-N 277.389 3.576 30 20 CHED N#CC[C@H](CC(=O)OCCC1CCC1)c1ccccc1 796830819 VCYQFQWPQAYTAX-MRXNPFEDSA-N 271.360 3.807 30 20 CHED CC[C@H](C)[C@H](NC(=O)c1ccc(C)c(C#N)c1)C(F)(F)F 799375452 AOMARGOLNUJULK-ZANVPECISA-N 298.308 3.574 30 20 CHED CCC(=NOCCSC)c1ccc2c(c1)CCCO2 794573076 POZWQPWINKIZNR-UHFFFAOYSA-N 279.405 3.505 30 20 CHED CC(C)[C@@H]1CCCC(=NNC(=S)Nc2ccccn2)C1 794522725 AXSSZJAQPJFQFN-GFCCVEGCSA-N 290.436 3.570 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C)c(C#N)c1)C1CC1 799333280 ODVMKULQLLJUBZ-JSGCOSHPSA-N 284.403 3.906 30 20 CHED CC(=NNc1cccc(Cl)n1)c1sc(C)nc1C 793173458 AJPIAMOZKORHFE-UHFFFAOYSA-N 280.784 3.644 30 20 CHED C=C(Br)CN(C)[C@@H](C)c1ccccc1 39043265 LYQQCZNSARAZBS-NSHDSACASA-N 254.171 3.588 30 20 CHED Cc1c(Cl)cccc1NC(=O)c1ccccc1CC#N 1135565980 MCVMGPYRPYCZHM-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#Cc1cc(C(=O)Oc2c(F)cccc2Cl)ccc1F 790907182 VDLZSFGABTUNRA-UHFFFAOYSA-N 293.656 3.709 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@@H](OC)C[C@H]1C 799528884 KWJOEXXEBJDMIE-HZPDHXFCSA-N 298.471 3.946 30 20 CHED Fc1cccc(NN=C2CCc3cc(Cl)ccc32)n1 795006556 CHUOCEZNFHYHJJ-UHFFFAOYSA-N 275.714 3.637 30 20 CHED COCCCON=C(Cc1ccccc1)Cc1ccccc1 795053581 RPTGUGGLJQAVHY-UHFFFAOYSA-N 297.398 3.881 30 20 CHED C#CCCCCC(=O)OCc1cccc(SC)c1 797034062 HQPBMWQKWWFPJI-UHFFFAOYSA-N 262.374 3.645 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNC(=S)Nc1ccccn1 797402256 XSCMRAPXVWPPSM-RYUDHWBXSA-N 290.436 3.570 30 20 CHED C[C@H](NN=Cc1ccc2ccccc2n1)C(C)(C)C 793110763 BONPNYITNBVFLH-LBPRGKRZSA-N 255.365 3.593 30 20 CHED Clc1cccc(NN=C2CCc3ccccc3C2)n1 793163069 XIMHYPQYHSRNES-UHFFFAOYSA-N 271.751 3.692 30 20 CHED C=CCC(C)(C)C(=O)O[C@H]1CCOc2c(C)cccc21 797144757 OYMZJYLCALAMHQ-AWEZNQCLSA-N 274.360 3.964 30 20 CHED CN1C(=O)/C(=C\c2ccc(C#N)cc2)c2cc(Cl)ccc21 799501883 RJEXGARCJLFIJS-NVNXTCNLSA-N 294.741 3.729 30 20 CHED C[C@@H](NN=Cc1ccc(OCC(F)F)cc1)C(C)(C)C 793112105 PKBOCXBMKFPKTR-LLVKDONJSA-N 284.350 3.689 30 20 CHED Cc1oc2ccccc2c1C=NNc1ncccc1F 794981060 SWEFHAKDTGQUCH-UHFFFAOYSA-N 269.279 3.721 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc2cc(O)ccc2c1 795006394 GYGRDRRRMYJTKC-UHFFFAOYSA-N 295.317 3.916 30 20 CHED CC[C@@H](C)CCC(=O)[C@H](C#N)c1nc2ccccc2n1C 796737899 GBSBXZCRRSAQJH-OLZOCXBDSA-N 283.375 3.576 30 20 CHED C=C(C)COCCN[C@@H](C)c1cccc(OC(F)F)c1 90451124 FHSSOGOKQNUVFU-LBPRGKRZSA-N 285.334 3.531 30 20 CHED Cc1cc(C)cc(C[S@](=O)CCCC(C)(C)C#N)c1 93327117 UANXNBSJFSWMAG-IBGZPJMESA-N 277.433 3.882 30 20 CHED CCCCCCCCCN1CC[C@H](CN(C)C)C1 792232302 OQMMAEWTTLVCBS-MRXNPFEDSA-N 254.462 3.621 30 20 CHED Cc1ccc(C#N)c(NCC2(c3cccc(F)c3)CCC2)n1 1307204737 VPMLPIHHSXGIJI-UHFFFAOYSA-N 295.361 3.935 30 20 CHED CC(=O)c1cccc(COc2ccc(C#N)c(Cl)c2)c1 1307331629 PTTQWWOGVONTBS-UHFFFAOYSA-N 285.730 3.993 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCC(C)(C)C2)c1C#N 1307073946 XWQGHTBFPJYPEX-JTQLQIEISA-N 263.772 3.906 30 20 CHED COc1cc(C#N)ccc1CN1CC(C)(C)c2ccccc21 1307979704 KPKHVVUKDIXPDK-UHFFFAOYSA-N 292.382 3.865 30 20 CHED Cc1cc(C)cc(NC(=O)Nc2cc(C)c(C#N)cn2)c1 1311070337 MUOXCUGZGIYKGR-UHFFFAOYSA-N 280.331 3.523 30 20 CHED Cc1cnn(-c2ccc(Oc3snc(C)c3C#N)cc2)c1 1163061831 HLFJXRAWANYHNC-UHFFFAOYSA-N 296.355 3.610 30 20 CHED C[C@@H]1CC(C)(C)c2cccc(NC(=O)NCC3(C#N)CC3)c21 1311225507 UVORFQDGMBAFHC-GFCCVEGCSA-N 297.402 3.897 30 20 CHED CCc1cccc(N(C)C(=O)Nc2cccc(CC#N)c2)c1 1310750240 AEDQCBDLOKAFOR-UHFFFAOYSA-N 293.370 3.983 30 20 CHED Cc1cc(CNc2ccc(OCC#N)cc2)cnc1Cl 1319836277 AKGNGIDMHUCJHH-UHFFFAOYSA-N 287.750 3.558 30 20 CHED Cc1ncccc1CSCCCOc1cccc(C#N)c1 1324649292 KPTAQNYGWMLYOY-UHFFFAOYSA-N 298.411 3.964 30 20 CHED C[C@H]1CCC[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 1639447690 XGQANSHIPYQRKK-WCQYABFASA-N 257.381 3.851 30 20 CHED Cc1ccc(C(C)(C)C(=O)OCc2ccc(C#N)s2)cc1 1327196724 IRYVRAPBJRNAGC-UHFFFAOYSA-N 299.395 3.949 30 20 CHED C=C[C@H](C)NC(=O)c1ccc2c(c1)oc1ccccc12 1329460690 AIMKMADIRFCGRG-NSHDSACASA-N 265.312 3.890 30 20 CHED C[C@H](NC(=O)N[C@@]1(C)CCCC[C@H]1C)c1cccc(C#N)c1 1248681335 FNWBOGJUDSQQJA-GLJUWKHASA-N 299.418 3.887 30 20 CHED Cc1ncc(CSCCC2(C#N)CCCCC2)cn1 1325717750 FEVWSAXUKZFPNX-UHFFFAOYSA-N 275.421 3.882 30 20 CHED Cc1cccc(C)c1CNc1c(C#N)cccc1C#N 1320813664 SWMTVMUPDWUGLM-UHFFFAOYSA-N 261.328 3.659 30 20 CHED CC(=O)c1ccc(Cl)cc1OCc1cccc(C#N)c1 1656654799 KFPPCAQWSUWWDC-UHFFFAOYSA-N 285.730 3.993 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](C)C(C)(C)C1 1658176806 SJIYCWGGVBDUJA-AWEZNQCLSA-N 256.393 3.735 30 20 CHED Cc1coc(C)c1C(=O)N(c1cccc(C#N)c1)C1CCC1 1333648571 WTNRDIJNISSIEG-UHFFFAOYSA-N 294.354 3.967 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(Oc2ccccc2)o1 1337581587 UATPYAIYQYHXRD-ZDUSSCGKSA-N 298.342 3.836 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc2ccccn2c1 1347522137 NNIFPUGYUCBKPG-HNNXBMFYSA-N 268.360 3.510 30 20 CHED Cc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1F 1264227405 SVMOQBIFKWKXLJ-OAHLLOKOSA-N 282.318 3.770 30 20 CHED C#Cc1cccc(NCc2cn3cc(Cl)ccc3n2)c1 106168553 UMISFGLSINXJHO-UHFFFAOYSA-N 281.746 3.581 30 20 CHED Cc1ccc(N(C)C(=O)c2cccc(C#N)c2C)c(F)c1 1275973864 VTXLMXRUKXGJQD-UHFFFAOYSA-N 282.318 3.591 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)c(F)c2)c1 1350584673 ZJAPRXPKSWGZQV-UONOGXRCSA-N 298.292 3.579 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2cc(C#N)ccc2F)[C@H](C)C1 1435231741 HKKXFXGGOGIGLE-HFAKWTLXSA-N 275.323 3.679 30 20 CHED C=C(C)CCC(=O)N1CCC(CC(F)(F)F)CC1 1353677478 FICSQXAICZDAIW-UHFFFAOYSA-N 263.303 3.534 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 1352435648 RWTDBIHUPKKJAI-SNVBAGLBSA-N 288.734 3.937 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1c(C)cc(F)cc1C 1528168679 WSNFZOOAXBSJRQ-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C=C(CC)C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 1528457853 DRKCAKVUCCPUPQ-HNNXBMFYSA-N 255.361 3.706 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CC(C)C)c1cccs1 1525963193 ATZCQBFAISOOFC-BXUZGUMPSA-N 265.378 3.928 30 20 CHED CC(C)(CCNC(=O)[C@@H](CC#N)c1ccccc1)C1CC1 1460389189 RKESLZPKLGBMIK-INIZCTEOSA-N 284.403 3.626 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cc1F)c1ccccc1 1460684673 AEXFCHBMDNDIIO-NSHDSACASA-N 269.275 3.615 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1535439579 NTSWYIGNVGEQJT-MWLCHTKSSA-N 278.302 3.601 30 20 CHED O=C(O)c1coc(C=NNc2ccc(Cl)c(Cl)c2)c1 1602554164 YLTYDNDFKJUNIW-UHFFFAOYSA-N 299.113 3.731 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCC[C@@H](CCCC(=O)O)C1 1603592322 YCVPJYSVKIPCTF-GJZGRUSLSA-N 294.439 3.720 30 20 CHED CNc1ccccc1CN(Cc1ccc(C#N)cc1)C1CC1 1474389282 LORKLKOVZGAWTH-UHFFFAOYSA-N 291.398 3.765 30 20 CHED N#Cc1ccc(CSc2ccc(-c3ccco3)nn2)s1 1559432863 GADMHPHKHCLXKY-UHFFFAOYSA-N 299.380 3.962 30 20 CHED CC[C@H]1CCC[C@H]1CNc1ncc(C#N)cc1Cl 1559193022 PEUHQKFZZJQINW-RYUDHWBXSA-N 263.772 3.845 30 20 CHED C=C(Br)CNC(=O)c1cccc(C(C)(C)C)c1 1626098021 ULULRKONPWHHMH-UHFFFAOYSA-N 296.208 3.623 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)c2c1CCC2 1624290963 HSMWBRYDHSQNAH-UHFFFAOYSA-N 294.329 3.747 30 20 CHED C[C@@H](Nc1cncc(C#N)n1)c1cc(Cl)ccc1Cl 1559170738 RYVDYOSVIGLTCV-MRVPVSSYSA-N 293.157 3.828 30 20 CHED N#Cc1nc(N2CC=C(c3ccccc3)C2)sc1Cl 1559150119 LRDCMAKXHKUMGJ-UHFFFAOYSA-N 287.775 3.572 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(CC3(CC#N)CC3)C2)cc1 1645456952 RXUQJAJEHZJFMA-RDJZCZTQSA-N 268.404 3.867 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cc(C(=O)O)co1 1589016806 JOLSZPCFUAJSRL-UHFFFAOYSA-N 296.685 3.606 30 20 CHED CCCN(CCc1cccs1)c1cc(C)c(C#N)cn1 1655354426 OVCNXYPWAVXFTP-UHFFFAOYSA-N 285.416 3.782 30 20 CHED Cc1ccc2c(c1)N([C@@H](C)c1cccc(C#N)c1)CC2 1652732078 BFFAVYNYGBQRIZ-AWEZNQCLSA-N 262.356 3.990 30 20 CHED Cc1cc(N2C[C@@H](c3ccccc3C)C[C@@H]2C)ncc1C#N 1655173825 OTLQKOOFTZZHKD-HOTGVXAUSA-N 291.398 3.953 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)Cc1cc(Cl)ccc1Cl 1585347322 KEYMVXJKLUJCAC-LBPRGKRZSA-N 299.201 3.687 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[C@H](CC)C1 1593808078 NZJDJRYRWOEZPR-YPMHNXCESA-N 296.846 3.780 30 20 CHED C[C@H](NC(=O)N1CCC(CC#N)CC1)C1CCCCCC1 1679970755 RMNRILXMSRMVPB-AWEZNQCLSA-N 291.439 3.681 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)o2)cs1 1777417979 KUAFOFMUPBPLFH-GUBXDBFYSA-N 288.324 3.643 30 20 CHED C=CCN(CC=C)C(=S)Nc1ccc(CC)cc1 13824139 RCVMJZYVNJBXLX-UHFFFAOYSA-N 260.406 3.620 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CC1CCC(C)(C)CC1 158725455 YRTREKRGGUIXKY-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)Cc2ccccc2F)c1 151600406 KZIJYMBQYARBPZ-CYBMUJFWSA-N 281.330 3.624 30 20 CHED C#C[C@H](OC(=O)c1csc(-c2ccccc2C)n1)C1CC1 152328178 IWXLGTMXXFGIHK-HNNXBMFYSA-N 297.379 3.687 30 20 CHED N#CCC[C@H](NC(=O)c1cccs1)c1ccccc1 153517744 GELBSULMNAGSOP-ZDUSSCGKSA-N 270.357 3.523 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Cc1cccc(Cl)c1 157578887 DCAHTCAEJLKHAQ-ZDUSSCGKSA-N 277.795 3.719 30 20 CHED C=CCN(C)C(=O)Nc1cccc(OC2CCCC2)c1 156396539 ALWRJVRRKZNBLI-UHFFFAOYSA-N 274.364 3.658 30 20 CHED C#CCCCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 156557948 NHFVZGOCHYVVMG-VXGBXAGGSA-N 293.769 3.502 30 20 CHED CCn1c(NC(=O)C(C)(CC)CC)nc2cc(C#N)ccc21 159515151 ZVUYYGRFPMTQDV-UHFFFAOYSA-N 298.390 3.693 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2ccncc2)cc1 159967602 UPZWMHBDJRQLER-OAHLLOKOSA-N 254.358 3.617 30 20 CHED N#CCC1CCN(Cc2cccc3ccccc23)CC1 260600865 RJESYYMJUZOZRU-UHFFFAOYSA-N 264.372 3.965 30 20 CHED C[C@@H](CC(=O)N(C)c1ccccc1C#N)C(C)(C)C 127477404 KOZACAYJSDKRNZ-LBPRGKRZSA-N 258.365 3.593 30 20 CHED CCC(CC)CNc1c(C#N)cnc2ccccc12 135242035 YXYFPYQVROTPQI-UHFFFAOYSA-N 253.349 3.955 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC[C@H]2C(C)(C)C)n1 1307235075 SOOXCJRKXAESAW-AWEZNQCLSA-N 271.408 3.876 30 20 CHED CCCN(CC#N)Cc1csc(C2CCCC2)n1 58921999 JGUHTDLDYHBVGN-UHFFFAOYSA-N 263.410 3.536 30 20 CHED N#Cc1ccc(N2CCCC3(CC3)C2)cc1C(F)(F)F 302259815 PELSIMLUJMFLMA-UHFFFAOYSA-N 280.293 3.957 30 20 CHED N#Cc1ccccc1NC(=O)c1cccc(F)c1Cl 73850330 WWJOXLWNRAZBGM-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC1CCC(O)(CC)CC1 657911005 ZGLXOXUUGDLSAW-GYXIZQIFSA-N 265.441 3.795 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccncc1Cl 421864236 YBMCKFBWABJIBK-LLVKDONJSA-N 252.789 3.988 30 20 CHED C=CCCCCN1CCCO[C@@H](c2ccccc2)C1 649287089 AYDAKFBPUNPWJO-QGZVFWFLSA-N 259.393 3.806 30 20 CHED N#Cc1c(Br)cccc1N1CCCC2(CC2)C1 357459311 OWIUVSCOOIICPQ-UHFFFAOYSA-N 291.192 3.701 30 20 CHED N#Cc1cccc(CCNc2ccnc3ccsc23)c1 359931395 YRSOZYOGPQEIKO-UHFFFAOYSA-N 279.368 3.823 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H](C2CCCC2)C1 708800318 FUVRUXASBYNCSN-ZDUSSCGKSA-N 258.340 3.714 30 20 CHED C#CCCCN[C@@H](C)c1cc(C)c(Br)s1 380113895 OZOFMIFDKZBUBM-JTQLQIEISA-N 286.238 3.883 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](C2CCCCC2)C1 598470809 SMKXWUZOSKXZKN-WBVHZDCISA-N 276.424 3.745 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cc(F)ccc1O 398144519 BEKXTMMXJGMVAS-NWDGAFQWSA-N 251.345 3.927 30 20 CHED Cc1ccc(CCC=NOCc2ccccc2)cn1 774373794 ZMZWQEOZBNGEJG-UHFFFAOYSA-N 254.333 3.525 30 20 CHED C[C@@H](C#N)Sc1ncnc2sc3c(c12)CCCC3 6112052 WLXZQPGLCXEWRB-QMMMGPOBSA-N 275.402 3.574 30 20 CHED FC(F)(F)c1ccc(C#CCNC2CCCCC2)cc1 237834414 IVEASVNZUAVYHM-UHFFFAOYSA-N 281.321 3.979 30 20 CHED CCNc1ccc(Cl)cc1C(=O)Nc1cccc(C#N)c1 50728392 RRSFTXTYBOELNL-UHFFFAOYSA-N 299.761 3.896 30 20 CHED C=CCn1c(SC2CCCCC2)nnc1C1CC1 59911682 TYCLWFDSTAZAMS-UHFFFAOYSA-N 263.410 3.766 30 20 CHED CC(C)(NC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 103176225 QJCZAFSRKWVXPY-UHFFFAOYSA-N 297.333 3.754 30 20 CHED C=CCN(CC(=O)Nc1ccc(C)cc1)Cc1ccccc1 105936873 YIYURGHTRYMGCB-UHFFFAOYSA-N 294.398 3.622 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCCC[C@H]1C 178562295 ZLMJJQXMDUYGAX-WBMJQRKESA-N 285.391 3.909 30 20 CHED C=C[C@H](CC(=O)Nc1cc(C)ccc1O)c1ccccc1 179606128 DDSFTROCZZNFCH-CQSZACIVSA-N 281.355 3.999 30 20 CHED C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1cccc2ccccc12 175069098 PIQHRYKEVULKHI-LBPRGKRZSA-N 289.338 3.531 30 20 CHED C=CCCCC(=O)Nc1nc2ccc(OC)cc2s1 175155295 GJEXYVNYPCCHAF-UHFFFAOYSA-N 276.361 3.600 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H](CC(F)(F)F)C1 1347183176 OEOBVBFPTZCWAJ-LBPRGKRZSA-N 277.330 3.780 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(SC)cc2)CC1 111715863 HTUKVIJPZOWMBS-UHFFFAOYSA-N 276.405 3.838 30 20 CHED C[C@@H](C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)s1 175983980 NAPWRUQGMQACNT-SNVBAGLBSA-N 296.823 3.848 30 20 CHED C[C@H](SCC(=O)c1cccn1C)c1ccc(C#N)cc1 118446616 SHAMWDHTEHVTCK-LBPRGKRZSA-N 284.384 3.574 30 20 CHED COc1cc(CNc2ccc(Cl)c(C#N)n2)ccc1C 67369264 VHZZWQXZPKKMGU-UHFFFAOYSA-N 287.750 3.536 30 20 CHED CC[C@@H](C)NC(=O)[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 172418419 PFMXVGAOWNDBSO-AGIUHOORSA-N 290.432 3.656 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1c1ncc(C#N)cc1Cl 176807180 AQDSHNMCFTUCMQ-WFASDCNBSA-N 297.789 3.989 30 20 CHED Cc1ccc(N(C)C(=O)c2cc(C#N)cs2)c(C)c1 176971725 GSGKATQTURYLEQ-UHFFFAOYSA-N 270.357 3.513 30 20 CHED C=CCOCCCC(=O)N1CC[C@@H](C)c2ccccc21 173599777 GZCZNPQOOCSWTA-CQSZACIVSA-N 273.376 3.510 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 302439278 MSZYIRNWZKLXQM-CHWSQXEVSA-N 293.292 3.963 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(-c2cccs2)s1 1342179261 HPCYJNBWOALHLG-CQSZACIVSA-N 290.413 3.899 30 20 CHED C[C@H](CC(=O)[C@@H](C#N)c1ccccn1)c1ccccc1F 170672522 YZNQGFOFCSOXMW-OCCSQVGLSA-N 282.318 3.591 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cccc(F)c2)cc1 28495510 JBUJYFFOVDPSPC-JXMROGBWSA-N 284.286 3.508 30 20 CHED N#Cc1ccc(CN(Cc2ccncc2Cl)C2CC2)cc1 173582488 APZKMTIDGJPSHV-UHFFFAOYSA-N 297.789 3.771 30 20 CHED CCC[C@@H](C)CC(=O)N[C@@](C)(C#N)CCc1ccccc1 110840514 QTQVCOBDUSPOSX-CRAIPNDOSA-N 286.419 3.844 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(OC)c(-c2ccccc2)c1 176016581 HRFRNCPOVMPBON-HNNXBMFYSA-N 295.338 3.821 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 69329681 TVLIJJADHVVHCN-QWHCGFSZSA-N 287.359 3.591 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2c2cccc(Cl)c2)n1 301551584 QWUXROZLHUUSQV-OAHLLOKOSA-N 283.762 3.948 30 20 CHED CN(Cc1cc(F)ccc1C#N)[C@H]1CCc2ccccc21 177261299 WCOIGQKZMCOBCR-SFHVURJKSA-N 280.346 3.817 30 20 CHED C=CCN(Cc1cccs1)C[C@H](O)c1ccc(F)cc1 66348934 MJFXOXBUDANFKD-INIZCTEOSA-N 291.391 3.609 30 20 CHED CCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66953719 NYDFPWWRJNAMPL-UHFFFAOYSA-N 295.342 3.882 30 20 CHED C[C@@H](CCNCc1ccc(C#N)c(F)c1)c1ccccc1 404048455 HWDJLTHZGHDQEU-AWEZNQCLSA-N 282.362 3.981 30 20 CHED C=CCN(C(=O)COc1ccccc1CC)c1ccccc1 61268417 RGRIATINWONTHY-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C#CCCCCNc1c(C#N)cnc2c(F)cc(F)cc12 177093685 KFRHZKKNUXXERR-UHFFFAOYSA-N 285.297 3.600 30 20 CHED CCC[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCO1 301842773 QRMAWKBOJPXQIW-LBPRGKRZSA-N 298.308 3.582 30 20 CHED CC(=O)c1csc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 175810501 CSUPAANPLYPXEK-NSHDSACASA-N 299.351 3.740 30 20 CHED C=C[C@H](CC(=O)Nc1ccnn1C(C)C)c1ccccc1 124721719 DYUHPDWTBSJUBI-CQSZACIVSA-N 283.375 3.762 30 20 CHED Cc1cccc(OC(=O)C2(c3cccc(C#N)c3)CC2)c1 1340420018 BFFBWSNXJPERTB-UHFFFAOYSA-N 277.323 3.504 30 20 CHED CC#CCCCC(=O)N1CCC(c2cccc(OC)c2)CC1 185352534 NNNBSMRNPQJRRN-UHFFFAOYSA-N 299.414 3.595 30 20 CHED CC#CCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 121460350 RXISSWVBYLDZAY-QGZVFWFLSA-N 295.407 3.660 30 20 CHED C=C[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccccc1 121717302 NFZAKZFSTGOCAN-NXHRZFHOSA-N 283.415 3.995 30 20 CHED C=CCNC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 127770236 NPNPOASINUTZSU-UHFFFAOYSA-N 296.301 3.550 30 20 CHED CCOc1cccc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 185804681 VQCNQDKODFTTJH-YCPHGPKFSA-N 272.392 3.818 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCc2occc21 180459416 CWBYXPAGYCIYHV-OCCSQVGLSA-N 276.380 3.701 30 20 CHED CCOc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1 181120464 YXEYVKMFFFPNPO-AWEZNQCLSA-N 296.370 3.988 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1 217039267 QWEWCNUWKVDEHI-KRXBUXKQSA-N 273.719 3.640 30 20 CHED N#CC1(CC[S@@](=O)c2ccccc2F)CCCCC1 414229880 FSIPZOLHCSNKCY-LJQANCHMSA-N 279.380 3.797 30 20 CHED CCCCCCCN[C@@H](C[S@](C)=O)c1ccccc1 183107630 XENWHDBYVIEGLT-LPHOPBHVSA-N 281.465 3.666 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](CC)Cc1ccccc1 120210003 HEGWUZUMYPVCDT-KRWDZBQOSA-N 271.404 3.660 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1coc2ccccc12 182582313 AVGKSNYUGXQGCE-GFCCVEGCSA-N 257.333 3.907 30 20 CHED C[C@H](CCC#N)N1CCn2c(cc3c(Cl)cccc32)C1 411645820 JMKCOFHFGZRHJF-GFCCVEGCSA-N 287.794 3.803 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)Cc1ccc(Cl)cc1Cl 120670051 KEAPDZAPZLXZOO-AWEZNQCLSA-N 299.201 3.590 30 20 CHED CCCCN(Cc1ccc(F)cc1C#N)CC(F)(F)F 488486642 ABFBKAKNHPYJMN-UHFFFAOYSA-N 288.288 3.862 30 20 CHED C=CC1CCN(C(=O)c2cc(Cl)ccc2C)CC1 122875382 WMFZKRSQKCDKLK-UHFFFAOYSA-N 263.768 3.687 30 20 CHED N#Cc1ccc(CNc2cccc(-c3ccn[nH]3)c2)cc1 37137276 CAKWUSPGVCFMBC-UHFFFAOYSA-N 274.327 3.560 30 20 CHED N#Cc1cc(Cl)ccc1N1CCO[C@@H](c2ccccc2)C1 75633310 XJZHXDLQPORMHT-QGZVFWFLSA-N 298.773 3.790 30 20 CHED Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c2ccccc12 414204575 BNQJMKLYKQEFKG-GOEBONIOSA-N 264.372 3.930 30 20 CHED CN(C(=O)/C=C\c1ccccc1C#N)C1CCCCCC1 213227810 BAYMBUIRJKOSRR-SEYXRHQNSA-N 282.387 3.753 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cc(C#N)cs1 412810059 IEYGHRYOCAOKSN-RYUDHWBXSA-N 276.405 3.564 30 20 CHED N#CCCN(Cc1ncc(Cl)cc1Cl)CC1CC1 182391261 VGLWZPCUYLNAIY-UHFFFAOYSA-N 284.190 3.514 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 185899739 VAALWFGNXYBLLP-SOLBZPMBSA-N 283.415 3.973 30 20 CHED CCO[C@@H]1C[C@H](Nc2cccc(CC#N)c2)C12CCCC2 313409776 MHRNNGMNBXLRNM-DLBZAZTESA-N 284.403 3.902 30 20 CHED N#CCCCN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 414107109 JNLVHTXNHPRINH-UKRRQHHQSA-N 262.784 3.869 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 180950177 RDNMMSNLBBZWSS-CABCVRRESA-N 299.418 3.555 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cc(Cl)c(OC)cc1OC 180946860 ZXNCPHMAJNGFFR-MNOVXSKESA-N 283.799 3.972 30 20 CHED N#Cc1cc(Br)ccc1N[C@@H]1CCCSC1 132700014 QQQCQJXVEGRAIY-LLVKDONJSA-N 297.221 3.628 30 20 CHED N#CC1(CNc2ncnc3sc4c(c23)CCCC4)CCC1 419021957 HLTKKCFVTKCRJA-UHFFFAOYSA-N 298.415 3.676 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OCC)cc1F 417450550 FDEVLCRUWUTCPS-UHFFFAOYSA-N 280.343 3.654 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1ccccc1F 182641833 IEONVUKUOJOQDY-CHWSQXEVSA-N 263.356 3.790 30 20 CHED CCC(CC)CN(CC)C(=O)NCc1cccc(C#N)c1 46039740 QXVRMEXCPHHQOZ-UHFFFAOYSA-N 287.407 3.526 30 20 CHED CCc1ccc(C/N=C/c2cccc(OC)c2O)s1 44009843 VZKWJNMTNILLKQ-CXUHLZMHSA-N 275.373 3.644 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CCC[C@@H]2C1 413834410 LYTPXOSUCFMZDS-KZNAEPCWSA-N 298.430 3.615 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)Cc1ccccc1OC 410132552 XAPJCVPCVWDTQV-HOCLYGCPSA-N 289.419 3.735 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(Br)cc1 454129063 APQDMFVKDOPCSG-UHFFFAOYSA-N 283.169 3.537 30 20 CHED Cc1occc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 414392624 BSQSTUHUDAZRAR-ROUUACIJSA-N 280.371 3.860 30 20 CHED Cc1oc2ccccc2c1C(O)=Nc1nnc(C)n1C1CC1 328971155 BLSQJSHMDLDGRK-UHFFFAOYSA-N 296.330 3.612 30 20 CHED C=CCOCCCC(=O)N[C@H](c1ccccc1C)C1CC1 80235531 OAEXYWGIOPSOKG-SFHVURJKSA-N 287.403 3.545 30 20 CHED C=CCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 134257278 OKZRNKILWNOUFK-UHFFFAOYSA-N 293.779 3.763 30 20 CHED C=CCCCCCN1CCSC[C@H]1c1nccs1 193561798 CJCPYLJRYPKTHY-ZDUSSCGKSA-N 282.478 3.979 30 20 CHED Cc1cccnc1C/N=C(/O)c1coc(C2CCCCC2)n1 328757223 UWEFALPILGAJCQ-UHFFFAOYSA-N 299.374 3.931 30 20 CHED Cc1nnccc1N=C(O)C[C@@H]1CCCCC1(C)C 329469594 XPTUEXUPSCCMDY-LBPRGKRZSA-N 261.369 3.980 30 20 CHED CCS[C@H]1CC[C@H](N(C)CCCC(C)(C)C#N)C1 174880583 OUXPFUQLNLRJKR-KBPBESRZSA-N 268.470 3.922 30 20 CHED CC(C)(C#N)CCCN(Cc1ccccc1)C1CC1 174815503 RTLTUYSQRZLSAT-UHFFFAOYSA-N 256.393 3.981 30 20 CHED C=CCN(Cc1ccccc1)Cc1nc(-c2ccco2)no1 45796861 NGVDKVPUAFOUKR-UHFFFAOYSA-N 295.342 3.518 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)N(C)CC(C)(C)C 425219178 GGGGHTUVWYUDMK-CYBMUJFWSA-N 287.407 3.649 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)N(C)Cc1cccc(C#N)c1 194054065 DBXKFCINMBSPBX-YOEHRIQHSA-N 299.418 3.526 30 20 CHED N#Cc1c(F)cccc1OC[C@H]1CCC2(CCCCC2)O1 228023303 NAKXAGBOLIEAMP-CYBMUJFWSA-N 289.350 3.958 30 20 CHED COCCOc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 193013132 QRRNSMUSDJFUNU-CQSZACIVSA-N 296.370 3.757 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)NC1(C#N)CCC1 331829654 DILJPGQZFYFETE-AWEZNQCLSA-N 262.397 3.545 30 20 CHED CCc1nocc1CSCc1ccc(C#N)cc1OC 517177210 XVSMJPOUKMTAHV-UHFFFAOYSA-N 288.372 3.551 30 20 CHED C=CCOc1cccc(CN2CCSCC[C@@H]2C)c1 191821719 ZQZKBSJYPGZUQD-AWEZNQCLSA-N 277.433 3.579 30 20 CHED CC[C@H](C#N)OC(=O)C[C@@H](CC)c1ccc(C)cc1 84710093 XAXYCPDGXAILEG-UKRRQHHQSA-N 259.349 3.724 30 20 CHED N#CCc1ccc(NC2CCC3(CCOCC3)CC2)cc1 336561711 LFOGGWQZVRVCQT-UHFFFAOYSA-N 284.403 3.904 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CSc2ccccc21 424847673 HQYLKYMNDCSQGF-GFCCVEGCSA-N 275.417 3.594 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)CC1CCC(C)CC1 512209429 BFAHPXMZJWRFBO-UHFFFAOYSA-N 291.435 3.976 30 20 CHED Cc1ccoc1CN[C@@H]1CCCc2cc(C#N)ccc21 336105634 ROAYJQXGMDKYSE-MRXNPFEDSA-N 266.344 3.627 30 20 CHED CC(C)c1ncsc1/C(O)=N/CCC[C@H]1CCCCO1 331287902 ANLNVDGIPNUVCH-GFCCVEGCSA-N 296.436 3.920 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)Nc2ccccc2OCC(F)F)C1 331310682 ZEKZCQIMPMWJMH-MNOVXSKESA-N 298.333 3.845 30 20 CHED C=Cn1cc(CN[C@H](C(=C)C)c2ccc(F)c(F)c2)cn1 194422372 RDEFYWMGMPQNDR-MRXNPFEDSA-N 289.329 3.669 30 20 CHED Cc1cc(C)c(C#N)c(NCCO[C@H]2CCCC[C@H]2C)n1 195667708 PXEMRVHACARPFV-WBMJQRKESA-N 287.407 3.577 30 20 CHED N#CC1(N(C(=O)c2cc3ccccc3s2)C2CC2)CCC1 336483518 KHVITIHJPUCQNP-UHFFFAOYSA-N 296.395 3.952 30 20 CHED CC(C)CN(CCCCC#N)Cc1ccccc1F 338731496 AGRXDHUNDXSRQA-UHFFFAOYSA-N 262.372 3.978 30 20 CHED C[C@@H]1CC[C@H](C/N=C(/O)c2c(Cl)cccc2[N+](=O)[O-])C1 331091578 WRXNKQNQVZDNGX-ZJUUUORDSA-N 296.754 3.989 30 20 CHED CCCc1nc(/C(O)=N/[C@@H]2CCC[C@H](C)C2)co1 330410765 LBANGHMYRIFXBI-WDEREUQCSA-N 250.342 3.510 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(C(C)=O)cc1 336943500 JTGFYJKIRFFJEB-UHFFFAOYSA-N 299.395 3.779 30 20 CHED N#CCCC1CCN(C(=O)c2cccc3ccccc23)CC1 335384813 NKOMDPJOWJIUAE-UHFFFAOYSA-N 292.382 3.996 30 20 CHED C=C1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 517455380 DZDKRMPGMOARGD-UHFFFAOYSA-N 285.416 3.727 30 20 CHED CC1(C#N)CCC(NCc2ccc(F)c(F)c2)CC1 336222080 HLNCDTSFPUWUDT-UHFFFAOYSA-N 264.319 3.527 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)CC3CCCC3)CC2)cc1 336595468 NAFLRNBIYLXBTF-UHFFFAOYSA-N 294.398 3.754 30 20 CHED Cc1ccc2c(c1)CN(CCCCC#N)C(C)(C)C2 339636188 CEOPXCHAWYUUCQ-UHFFFAOYSA-N 256.393 3.826 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CC23CCCCC3)cc1 514756089 PODCPXWEIWMYCM-IRXDYDNUSA-N 296.414 3.900 30 20 CHED Cc1ccc(Cl)c(NC(=O)N(C)CC(C)(C)C#N)c1 336597755 VAZQJWUNBRJICP-UHFFFAOYSA-N 279.771 3.662 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc2ccccc12 435735259 LCRMGUYAADSMBY-DYVFJYSZSA-N 287.428 3.972 30 20 CHED C[C@H]1C[C@@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1 438063614 QPSSYXUMUJIZFI-OLZOCXBDSA-N 297.320 3.667 30 20 CHED C=CC[C@H](CC)NC(=O)c1sc(CC(C)C)nc1C 337098445 TUOYZEWICGGHBM-LBPRGKRZSA-N 280.437 3.735 30 20 CHED Cc1ccnc(C(O)=Nc2cc(C(C)C)c(O)cc2C)n1 330980278 GQBUICHNKDBKDF-UHFFFAOYSA-N 285.347 3.559 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCC(C1CC1)C1CC1 90801892 BUTSHMSDWPLABW-UHFFFAOYSA-N 295.308 3.820 30 20 CHED CC(C)[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCS1 249416306 ZKYLHTKZXXRCKJ-CZUORRHYSA-N 274.433 3.693 30 20 CHED C=CCCCCNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 437770174 GGQXCFWTDHUHPL-LSDHHAIUSA-N 292.810 3.851 30 20 CHED C=CCN(C(=O)C1(Cc2ccccc2Cl)CC1)C1CC1 438939560 SQAAFLUFTWYTCP-UHFFFAOYSA-N 289.806 3.840 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2cccc(C)c2)CCCC1 522639557 RFRAYBIGWDTUBL-HNNXBMFYSA-N 271.404 3.888 30 20 CHED CCc1ccc(C2CCN(C(=O)[C@](C)(C#N)CC)CC2)cc1 600680856 DEZIKTPEXAJOPL-IBGZPJMESA-N 298.430 3.895 30 20 CHED C=CC[C@@H](C)NC(=O)CCCCCc1ccc(O)cc1 604902675 WVLAEBWDFFWRPI-CQSZACIVSA-N 275.392 3.576 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1cccc(OC(F)F)c1 602514499 KGAWDHVZFDOSLX-NEPJUHHUSA-N 282.334 3.878 30 20 CHED C=CCOCCCN(Cc1cccs1)C(C)C 347966334 FNAKAMVXPDEQQL-UHFFFAOYSA-N 253.411 3.551 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1c(OC)ccc2c1CCC2 439401956 FOGVLQYEJWRDSK-ZDUSSCGKSA-N 288.391 3.660 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1 345378639 JOIPFCPOBHNRNI-WBVHZDCISA-N 289.419 3.871 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2cccc(C)n2)CCCC1(C)C 436104850 QWFFVBLKGWPNHS-AWEZNQCLSA-N 287.407 3.989 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 434380285 QYZKXDPDHZABQG-VBNZEHGJSA-N 290.382 3.726 30 20 CHED N#CCC[C@@H](/N=C\c1ccccc1O)c1ccccc1 255161550 UDODJTJPFOSUDW-YZYPPFLQSA-N 264.328 3.856 30 20 CHED C=CCOc1cccc(CNCC(C2CC2)C2CC2)c1 608067846 XHQOEMNQQSDNGS-UHFFFAOYSA-N 271.404 3.777 30 20 CHED CC(C)c1noc([C@H](C)SCCC(C)(C)C#N)n1 341903817 SXTCMWFFURFMKS-JTQLQIEISA-N 267.398 3.927 30 20 CHED CC[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 603530604 JPZLDOBTUXABGU-CQSZACIVSA-N 272.392 3.589 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1 255659716 QWGFSGGJSVAHCO-YVMONPNESA-N 271.291 3.516 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1ccc(C#N)cc1COC 603341084 XJRNPOWATGLFJK-LBPRGKRZSA-N 286.297 3.848 30 20 CHED CCc1c(C)sc(NC(=O)C(C)(C)CC)c1C#N 609031072 CSGYHDWZYQKBAJ-UHFFFAOYSA-N 264.394 3.865 30 20 CHED Cc1cccn2cc(COc3cc(Cl)ccc3C#N)nc12 521949782 NBVCCALDTJRCCL-UHFFFAOYSA-N 297.745 3.747 30 20 CHED CC(C)N(CCC#N)CCc1cccc(C(F)(F)F)c1 600111755 PSWYHVOETHSFFE-UHFFFAOYSA-N 284.325 3.872 30 20 CHED C=CCCCC[C@H](C)NCc1nccn1C(F)F 345128765 HQWLGRADXLDIBG-NSHDSACASA-N 257.328 3.503 30 20 CHED CC(C)CN(CCc1ccccn1)Cc1ccc(C#N)cc1 343101966 JUHRHFBSQCTGEE-UHFFFAOYSA-N 293.414 3.654 30 20 CHED C=CCCCSCCOc1ccc(OC)cc1 609782621 GMVVOIXWRKJXQE-UHFFFAOYSA-N 252.379 3.773 30 20 CHED N#CCCCC[S@@](=O)CCCOc1ccc(Cl)cc1 522046029 TZIJHJBNCWCZKI-LJQANCHMSA-N 299.823 3.551 30 20 CHED COCc1cccc(/C=C2/Cc3ccccc3C2=O)c1 255901711 ZVZGQKHSKXRVEG-YBEGLDIGSA-N 264.324 3.655 30 20 CHED C[C@H](CCC1CC1)NC(=O)C[C@@H](CC#N)c1ccccc1 356777179 KJKLIBOYCIBYLR-RHSMWYFYSA-N 284.403 3.769 30 20 CHED CC(C)(CCC#N)CN1CCC[C@@H](Oc2ccccc2)C1 352338659 UOJWZSAWQTUFRU-QGZVFWFLSA-N 286.419 3.860 30 20 CHED C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](C)C#N 354761411 MISQJFGBARZSFB-KGLIPLIRSA-N 270.376 3.536 30 20 CHED N#Cc1cccc(Nc2ccc(CC(F)(F)F)cc2)n1 535887148 FGTKQTHURWFBOD-UHFFFAOYSA-N 277.249 3.802 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(C(=O)O)cc1 263437460 VBWJUUBTXQYFEG-AWEZNQCLSA-N 275.392 3.999 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)C2CCCC2)CC1 449123286 NRMVPWKJRPHSBB-KRWDZBQOSA-N 264.457 3.585 30 20 CHED N#Cc1ccc(CSCc2ccon2)c(Cl)c1 357395785 SUGPSNTWOOVNBE-UHFFFAOYSA-N 264.737 3.633 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)CC1 448958312 WOFDPCKBPHJCAY-ZWKOTPCHSA-N 283.415 3.995 30 20 CHED N#CC1(CN[C@@H](c2c[nH]c3ccccc23)C(F)(F)F)CC1 353151278 VLJRRTSATDYTSX-ZDUSSCGKSA-N 293.292 3.665 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1C1CCC1 350729670 MYNKKZSNJWDOEM-UKRRQHHQSA-N 288.439 3.747 30 20 CHED Cc1cc(C)c(C#N)c(NCc2cc3ccccc3[nH]2)n1 350054987 YZGZYWZUATZRQP-UHFFFAOYSA-N 276.343 3.664 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(C#N)cc1F 610280512 UXYHPJSKHNXBRM-IAGOWNOFSA-N 266.319 3.839 30 20 CHED C[C@H](NCCc1ccc2[nH]ccc2c1)c1ccc(C#N)cc1 442114922 BBFJLCNVRHABED-AWEZNQCLSA-N 289.382 3.933 30 20 CHED C=CCCC1(C(=O)Nc2cccc(C(C)=O)c2)CC1 353351308 UORWEYVICSTQRP-UHFFFAOYSA-N 257.333 3.574 30 20 CHED N#CCn1c(/C=C/c2cccc(C#N)c2)nc2ccccc21 352007685 MJVBHHWBEOWSQX-CMDGGOBGSA-N 284.322 3.602 30 20 CHED CC[C@H](NCC1(O)CCCCCC1)c1ccc(C#N)cc1 447535747 IANYLKAZAAEBII-KRWDZBQOSA-N 286.419 3.684 30 20 CHED N#CC[C@H](CC(=O)N1CCC[C@@H]2CCC[C@H]21)c1ccccc1 356200209 PCDRLTICNYENJF-RCCFBDPRSA-N 296.414 3.865 30 20 CHED C=CCC1(NC(=O)[C@H](C)n2cnc3ccccc32)CCCC1 619114785 NNXKZFXLFBWCAZ-AWEZNQCLSA-N 297.402 3.602 30 20 CHED Cc1nc(-c2nc(C3C[C@H](C)C[C@@H](C)C3)no2)ccc1C#N 357660333 FHUBKPVUWZBVKC-GHMZBOCLSA-N 296.374 3.851 30 20 CHED CCCOc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1Cl 448747244 JFVXSWXCULTQTP-BONVTDFDSA-N 292.766 3.617 30 20 CHED Cc1oc(C#N)cc1C(=O)NCc1cc2ccccc2s1 352457647 YGWOGRLGEMRSBO-UHFFFAOYSA-N 296.351 3.604 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(OC(F)(F)F)c2)C1 442876193 PIVQQJKIWHQDKG-KOLCDFICSA-N 270.254 3.689 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCC1CCC(C#N)CC1 442877409 UHNMOYQZFHTANK-PNDQRGPWSA-N 286.394 3.979 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2cccc(OC)c2)CCCC1 265308993 DMIJHKXXQKPMLO-CQSZACIVSA-N 287.403 3.588 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 610239446 CRELKTVZKOQQJE-GHMZBOCLSA-N 298.308 3.617 30 20 CHED C=C(CN[C@H](C)c1csc(C)n1)c1ccccc1 269394918 DTISQZFAEILSEM-GFCCVEGCSA-N 258.390 3.816 30 20 CHED COc1cc(OCC#Cc2cccc(Cl)c2)ccc1C#N 618149499 SVYHUIOKXNNWMD-UHFFFAOYSA-N 297.741 3.651 30 20 CHED CN(C(=O)CC(C)(C)c1ccccc1)c1ccc(C#N)cc1 269606765 AECFNSAUXKMSDR-UHFFFAOYSA-N 292.382 3.889 30 20 CHED Cc1ccnc(N2CCS[C@H](c3ccccc3)C2)c1C#N 363673480 NDIIBGWLWBFBCO-INIZCTEOSA-N 295.411 3.556 30 20 CHED CC[C@H](C)CCCCC(=O)NCc1ccc(C#N)cc1 612011513 RLDRJGYCYWGHER-AWEZNQCLSA-N 272.392 3.781 30 20 CHED Cc1cc(C#N)ccc1OCc1cn2ccccc2c1C#N 530873005 MLHAHHSZGGOVFS-UHFFFAOYSA-N 287.322 3.570 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1sc(CCOC)nc1C 453314290 YFYLTWJPTMADOE-NSHDSACASA-N 282.453 3.503 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](C)C1CCC1 457496015 IKKWOEFKVNMRRM-OAHLLOKOSA-N 271.404 3.680 30 20 CHED COc1ccc([C@H]2CCCN2c2nc(C#N)ccc2C)cc1 611399117 OEJFRMDSGPLOKR-QGZVFWFLSA-N 293.370 3.612 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 362692054 NZNSKMRUIHXYQC-RYUDHWBXSA-N 289.404 3.634 30 20 CHED C[C@@H]1C[C@H](CCN[C@H]2CCCc3cc(C#N)ccc32)CCO1 612421037 WBCOHIFCMVEMFV-CLCXKQKWSA-N 298.430 3.730 30 20 CHED C=CCC[C@@H](NCc1nn(C)cc1Cl)c1ccccc1 453310970 BDLAPINUBUZSHV-OAHLLOKOSA-N 289.810 3.871 30 20 CHED Cc1cc(C)cc(C2(c3noc(CSCC#N)n3)CC2)c1 453316432 WRIVTDGVHLGBSL-UHFFFAOYSA-N 299.399 3.523 30 20 CHED CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCC1 610014781 RCIGUCXIQRIKLW-UHFFFAOYSA-N 285.391 3.894 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc2ccsc12 274281371 KSZHCLKOKOQRHX-UHFFFAOYSA-N 259.374 3.940 30 20 CHED CCC[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)C1CCC1 458300615 CFHCAAKZMZFNEW-ROUUACIJSA-N 298.430 3.844 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 274358484 MNLXPZNZXYATCC-BXUZGUMPSA-N 284.325 3.918 30 20 CHED C=CCCc1noc(Cc2cccc(C(F)(F)F)c2)n1 453228657 AURUASWBKHIVLB-UHFFFAOYSA-N 282.265 3.798 30 20 CHED C=CCCO[C@H](C)C(=O)N(CCC)Cc1ccccc1F 620571368 ZWFNFRCDUSDBHZ-CQSZACIVSA-N 293.382 3.546 30 20 CHED Cc1c(-c2noc(CCCC#N)n2)oc2ccccc12 361259542 BRIOLCYDCJSHCJ-UHFFFAOYSA-N 267.288 3.638 30 20 CHED CC(C)CC1(CNC(=O)c2ccc(C#N)c(Cl)c2)CC1 548615672 LRKLQCZOFIGEBO-UHFFFAOYSA-N 290.794 3.768 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(F)cc1C(F)(F)F 362678833 GWKZNXXXIUKGHY-SSDOTTSWSA-N 276.233 3.541 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@]1(C)CC(C)C 458999706 LQNOTMPBVGCDAK-OAHLLOKOSA-N 252.402 3.563 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 458186460 KTHODFKZJKPUNY-GOEBONIOSA-N 276.424 3.744 30 20 CHED C=C(C)CCNC(=O)N(CC)[C@@H](C)Cc1ccsc1 459005041 QEBNRHJDXDCSHZ-ZDUSSCGKSA-N 280.437 3.677 30 20 CHED C=CCCOCCCCC(=O)Nc1nc(C)ccc1CC 622141419 KNNZLKDSVYQIPG-UHFFFAOYSA-N 290.407 3.654 30 20 CHED C=CCN(C(=O)c1scc(C)c1Cl)C1CC1 276805550 LKDIIUKQPLYSJD-UHFFFAOYSA-N 255.770 3.501 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 458039031 HWNIRMTXEHYVOQ-NXEZZACHSA-N 296.823 3.561 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 276842202 CDUUNFKZPZSEBR-CYDGBPFRSA-N 264.417 3.570 30 20 CHED C=CCOc1ccc(CN[C@@H]2COc3ccc(F)cc32)cc1 546634713 YYUXIVGRVUVJKR-QGZVFWFLSA-N 299.345 3.614 30 20 CHED C=CCC[C@H](NC[C@@H](CO)CC1CCCC1)C1CC1 467450215 NPMKOYGYSVAJQC-RDJZCZTQSA-N 265.441 3.510 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCO[C@H](CCC)C2)n1 551137803 BOMVBEKHTPIZLA-QWHCGFSZSA-N 278.396 3.986 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)Oc1cccc(C)c1 620863938 JKCIZAXVXRIRPN-AWEZNQCLSA-N 275.392 3.623 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(C)CCCC 558982623 WPCQMRQKUSMQMV-UHFFFAOYSA-N 276.428 3.748 30 20 CHED C=CCC[C@@H](NC[C@@H]1CSCCS1)c1ccco1 286368372 ZMYJFCIEPUIRHZ-CHWSQXEVSA-N 283.462 3.725 30 20 CHED CCN(C(=O)c1ncc(C#N)cc1C)c1cc(C)ccc1C 559140861 ORUITBNIDVSWQO-UHFFFAOYSA-N 293.370 3.545 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1c(F)cccc1Cl)OCC 637105393 SFMKLYLHDSOBEU-GFCCVEGCSA-N 285.746 3.789 30 20 CHED C[C@@](C#N)(NC(=O)[C@@H]1CC2CCC1CC2)C1CCCCC1 556182125 INIDFPFOSFBCFK-FLMHQWFMSA-N 288.435 3.791 30 20 CHED C=CCCN(C)C(=O)[C@H](CC)Sc1ccccc1 466642900 ZTOMJBSLVAYYJR-AWEZNQCLSA-N 263.406 3.592 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 631654250 WJSQGNCSMUEIOS-WTTBNOFXSA-N 259.393 3.707 30 20 CHED C[C@]1(CNc2ccc(C#N)c(Cl)c2)CCO[C@@H]1C1CC1 466630768 KEBFQVGOQFXUSZ-HZPDHXFCSA-N 290.794 3.829 30 20 CHED Cc1cc(C)c(CC(=O)N[C@@](C)(C#N)C(C)(C)C)c(C)c1 464164969 SYOKPPJYYWCSDJ-SFHVURJKSA-N 286.419 3.599 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccccc2CC)no1 289002666 OAWAYHCBFCKXHG-KRWDZBQOSA-N 286.375 3.779 30 20 CHED C=CCc1ccc(OCCC(C)(C)C#N)c(OC)c1 282068627 YVIBUUBPVIILHB-UHFFFAOYSA-N 259.349 3.742 30 20 CHED C[C@]1(C(=O)Nc2cccc(C#N)c2)CCc2ccccc2C1 463241353 BPYFJGCCOCENDA-IBGZPJMESA-N 290.366 3.692 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1ccc(C)cc1O 280803916 LCWYMSDLSMPKHE-HFTRVMKXSA-N 289.419 3.723 30 20 CHED CC(C)(C#N)CCSCc1nnc(-c2ccccc2)o1 289390500 LSFRJKNWFISJES-UHFFFAOYSA-N 287.388 3.910 30 20 CHED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCCCC1 281047115 WKFFVPWJYNVZQZ-UHFFFAOYSA-N 291.276 3.514 30 20 CHED C#Cc1ccc(CN[C@H](c2cccs2)C(C)(C)CO)cc1 295904609 CVKJFLDDADUSCA-QGZVFWFLSA-N 299.439 3.579 30 20 CHED N#C[C@H]1CC[C@H](SCc2c(F)cccc2F)C1 295340088 MYMQKNCTRYDPJD-UWVGGRQHSA-N 253.317 3.890 30 20 CHED N#CCC[C@H](NC(=O)NCC1=CCCCC1)c1ccccc1 296528898 PJVPPTWCLCOKEG-KRWDZBQOSA-N 297.402 3.831 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](c2cccc(F)c2)C1 472836287 UJZKNWVTCIRTDG-OAHLLOKOSA-N 290.382 3.681 30 20 CHED C#Cc1ccc(CN[C@@H](C)[C@@H](OC)c2ccc(F)cc2)cc1 809631950 KENSBSWBVMREQE-IFXJQAMLSA-N 297.373 3.673 30 20 CHED C=CCN(CCC#N)Cc1ccc(C(F)(F)F)cc1 292307901 VETCTBXKTIRNAN-UHFFFAOYSA-N 268.282 3.607 30 20 CHED C=CCCCCNC(=O)NCCc1c[nH]c2cc(C)ccc12 472840608 WLDIBAFKHCYVFO-UHFFFAOYSA-N 299.418 3.674 30 20 CHED CC(C)CCC[C@H](C)NC(=O)NCC#Cc1ccccc1 642106479 CGMQOCKQWXWSHZ-INIZCTEOSA-N 286.419 3.552 30 20 CHED C=CCOc1ccc(CN[C@H]2CC[C@@H](F)C2)cc1Cl 564116946 QQIHHTDWMPFWFQ-OLZOCXBDSA-N 283.774 3.885 30 20 CHED CCSCc1ccccc1C(=O)N(CC)C[C@H](C)C#N 562599948 HTFSVQUOOYBQIT-CYBMUJFWSA-N 290.432 3.561 30 20 CHED C[C@](C#N)(NC(=O)c1cc(F)ccc1F)C1CCCCC1 569841928 ZFEWNXGPKVDYHE-MRXNPFEDSA-N 292.329 3.557 30 20 CHED N#Cc1ccc(CC(=O)Nc2cccc3ccsc23)cc1 395414031 JDHLWUJLCABGTI-UHFFFAOYSA-N 292.363 3.954 30 20 CHED C[C@](C#N)(NC(=O)[C@H]1CCCC(F)(F)C1)C1CCCCC1 563370428 CSBOKXYTZGPKOZ-SWLSCSKDSA-N 298.377 3.791 30 20 CHED COc1ccc([C@@H](Cc2ccccc2)NCCCC#N)cc1 290115143 KDJGULMLSTXUHJ-LJQANCHMSA-N 294.398 3.872 30 20 CHED C=CCCC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 294613683 KCXYYEJKOJWELV-AWEZNQCLSA-N 295.835 3.999 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)N1CCC(CCC#N)CC1 568623613 UWHHHBUYSIAUEM-HNNXBMFYSA-N 291.439 3.538 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)[C@H]1c1cccnc1 292849704 TWNOLQMQLCHBJT-KRWDZBQOSA-N 277.371 3.536 30 20 CHED Cc1ccc(CCC(=O)N(CCC#N)CC(C)(C)C)s1 291117447 UAYIJPUANODTSJ-UHFFFAOYSA-N 292.448 3.778 30 20 CHED Cc1cccc2c1N(C(=O)c1cc(C#N)oc1C)CC[C@H]2C 297950952 UWAXEABSVNGLAI-LLVKDONJSA-N 294.354 3.922 30 20 CHED CCCC[C@H](SCc1ccc(F)c(C#N)c1)C(=O)OC 475897448 NEFDXUIGBADYDQ-AWEZNQCLSA-N 295.379 3.662 30 20 CHED N#Cc1ccc(CN[C@H](CC2CCC2)c2ccccc2)nc1 562045774 PCTGXOFASQDADI-LJQANCHMSA-N 291.398 3.974 30 20 CHED C=CCCCCCCCCNC(=O)c1coc(C)n1 807845018 UDPDPLYWMMFSIJ-UHFFFAOYSA-N 264.369 3.630 30 20 CHED C#CCCCCCC(=O)Nc1cc(C#N)c2ccccc2n1 809072400 NDMWOUPEROSSII-UHFFFAOYSA-N 291.354 3.629 30 20 CHED COc1cccc([C@@H]2C[C@H]2CNc2snc(C)c2C#N)c1 563872128 UUTVDUZSYYXTOJ-JSGCOSHPSA-N 299.399 3.547 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 297098545 GFUBOBAUKVTDCE-ZDUSSCGKSA-N 272.392 3.843 30 20 CHED CCC[C@]1(C)CCCN(c2cc(C)nc(C#N)c2)C1 561263825 FOUPYUYJUUSUKB-MRXNPFEDSA-N 257.381 3.668 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)CCC1CC1 470322839 CGTBCOJOAKDLDX-OAHLLOKOSA-N 286.419 3.963 30 20 CHED C=CCOc1cccc(NC(=O)CCCC2CC2)c1 643168053 VPQFNAOCHCCGQE-UHFFFAOYSA-N 259.349 3.770 30 20 CHED C=CCn1cccc1C(=O)N(C)C[C@H](C)c1ccccc1 488888302 XVJFOFGTAKOIDF-HNNXBMFYSA-N 282.387 3.550 30 20 CHED Cc1cc(C)cc(NN=C2CC[C@@H](CC(=O)O)[C@H]2C)c1 814753591 QVBCXXXIVFYZNB-OLZOCXBDSA-N 274.364 3.592 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CCCCC12CCCC2 812887044 HRCKSPSZNHDISQ-LBPRGKRZSA-N 270.804 3.541 30 20 CHED CCc1c(C)sc(NC(=O)[C@@]23CCC[C@H]2C3)c1C#N 563950106 HEMBXDJENOSZGB-ZUZCIYMTSA-N 274.389 3.619 30 20 CHED CCCCCCCCC(=O)NCc1ncccc1N(C)C 811620544 FOFAZHYWPYUBPW-UHFFFAOYSA-N 291.439 3.514 30 20 CHED C=CCN(CC=C)[C@H](CN[C@@H](C)c1ccco1)C(C)C 480757144 KVHBOVGMJNEOMX-JKSUJKDBSA-N 276.424 3.629 30 20 CHED COc1ccccc1CON=C1CCC[C@@H]1C(C)(C)C#N 814924167 WFGUVWXSAJNFIB-AWEZNQCLSA-N 286.375 3.918 30 20 CHED COCc1ccccc1/C=C(/C)C=NO[C@H]1CCCCO1 814225134 PZHIVQSOIDKEJV-NDGQWFHDSA-N 289.375 3.765 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@](C)(C#N)C1 811926969 GHLQRVUPXPFVCU-QGZVFWFLSA-N 291.439 3.848 30 20 CHED CC(=NOC1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C 814894094 IYOKLXWZZKJXAV-CQSZACIVSA-N 296.411 3.721 30 20 CHED C#C[C@@H](NC(=O)N(C)C[C@@H](C)CC)c1ccc(Cl)cc1 811959729 VJRBIZOZFPGOII-SWLSCSKDSA-N 292.810 3.702 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)c(C)s1 489862851 YVAIMZBTCHSYQN-UHFFFAOYSA-N 251.395 3.697 30 20 CHED Cl/C=C/CON=Cc1cccn1Cc1cccs1 811668029 JWFJBTBYMKNBJW-DNYIRCPOSA-N 280.780 3.701 30 20 CHED C=CCC(C)(C)CNC(=O)C(F)(F)c1ccc(C)cc1 817456878 GQWNHEJPWRRZQG-UHFFFAOYSA-N 281.346 3.805 30 20 CHED C=C[C@@H]1CCCCN1Cc1cccc(OC(F)F)c1 489435306 UANSUVCPOODJNY-CYBMUJFWSA-N 267.319 3.829 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2CC3(CCC3)C2)cc1 573372286 HNPREZNPQRBOKG-INIZCTEOSA-N 282.387 3.510 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(O)c(C)c1 812241762 MLZLJCINQWOXEV-QPJJXVBHSA-N 286.302 3.744 30 20 CHED C=C(CC)CN1CCC(Oc2cncc(Cl)c2)CC1 578203634 YCGWMVGLSBVOGP-UHFFFAOYSA-N 280.799 3.544 30 20 CHED CC(=NNCCCOc1ccccc1)c1ccsc1 729147649 IPRJQNVOGKHPFC-UHFFFAOYSA-N 274.389 3.531 30 20 CHED Cc1cccc(C=NNCCCc2ccccc2)c1 729145934 HVSIOAZYXPFQLN-UHFFFAOYSA-N 252.361 3.551 30 20 CHED Cc1nc(N2CCC(c3ccc(F)cc3)CC2)ccc1C#N 813596989 RQVNXLXHUNXLJG-UHFFFAOYSA-N 295.361 3.785 30 20 CHED N#CCCCCOC(=O)c1cc(Cl)c(F)cc1Cl 815503813 AOCKIPWXRUGQQR-UHFFFAOYSA-N 290.121 3.983 30 20 CHED CC(=NNc1cccc(F)c1)c1ccccc1C#N 814815280 RWOFBAGUTYJPBV-UHFFFAOYSA-N 253.280 3.533 30 20 CHED C[C@H](CN1CCCC(C)(C)[C@@H]1C#N)c1ccc(F)cc1 577179955 SWGNMFIMSSJBTN-CJNGLKHVSA-N 274.383 3.943 30 20 CHED CC(C)(C#N)CCCN1CC(C)(C)Oc2ccccc21 486767470 AFGSHMKIXNMMPC-UHFFFAOYSA-N 272.392 3.994 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccccc1O 728432273 PXYYOHCJGNDEGV-UHFFFAOYSA-N 277.327 3.777 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1ccc(O)c(F)c1 728439170 WENJNJIGLUGBRR-MVTUOISNSA-N 268.287 3.984 30 20 CHED CC(=NNC1CCCC1)c1sccc1Br 727651809 QOAWOYUEJBAWEL-UHFFFAOYSA-N 287.226 3.767 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C#N)c1ccc(CC)cc1 579524793 SEJNGOJALLITOH-NVXWUHKLSA-N 270.376 3.532 30 20 CHED CCCCCCC[C@H](C)NC[C@H]1CC(=O)N(C(C)(C)C)C1 827554914 LBFQXIXDYHDLKQ-JKSUJKDBSA-N 296.499 3.972 30 20 CHED C=C(C)CNC(=O)CSc1ccc(C(C)C)cc1 490036358 GZJMUVXMVGCGRX-UHFFFAOYSA-N 263.406 3.594 30 20 CHED CCCCCCCCCNC(=O)C1(C)CCOCC1 726768644 LBCXOLPDMQCAPM-UHFFFAOYSA-N 269.429 3.670 30 20 CHED CCC/C=C/C(=O)N(CCC#N)c1ccc(C)cc1 729347936 SXNGVNAYONHELF-FNORWQNLSA-N 256.349 3.598 30 20 CHED C=CCN(C(=O)c1ccc(C)c2c1CCC2)C(C)C 823097357 UMEBMHPPTFQFND-UHFFFAOYSA-N 257.377 3.520 30 20 CHED Cc1cc(OCCC(F)(F)F)c(C)c(C)c1C#N 385046804 BPHFTYNILJXUIW-UHFFFAOYSA-N 257.255 3.815 30 20 CHED C=CCC1(NC(=O)c2cnn(C3CCC3)c2)CCCCC1 821797354 SSHCYXIGYUGVMJ-UHFFFAOYSA-N 287.407 3.617 30 20 CHED Fc1ccc(NN=Cc2cnc(-c3ccccc3)s2)nc1 731322076 XIGJPPDJGVJVQR-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CC(C)CNC(=S)Nc1ccccc1SCCC#N 730952951 GOJDBLMXHIIMKT-UHFFFAOYSA-N 293.461 3.635 30 20 CHED CC[C@H](OC(=O)CNc1ccc(C#N)cc1)c1ccccc1 733462447 UBNOESQLWYAPQV-KRWDZBQOSA-N 294.354 3.665 30 20 CHED N#CCC[C@H](C#N)CNc1ccc(N2CCCCCC2)cc1 732918416 LGMAYLHVFDINLB-MRXNPFEDSA-N 296.418 3.922 30 20 CHED C=C(CN[C@@H](c1ccccn1)C1CC1)c1ccccc1 903083682 LRAJSADZLPNKKK-GOSISDBHSA-N 264.372 3.836 30 20 CHED CS[C@H]1CCCC(=NNc2ccc([N+](=O)[O-])cc2)C1 901119283 MKHTWWLPUDJFMZ-ZDUSSCGKSA-N 279.365 3.668 30 20 CHED C=C1CCN(C(=O)c2ccc(C)c(-n3cccc3)c2)CC1 731052419 PEQFUDHICLHHPS-UHFFFAOYSA-N 280.371 3.578 30 20 CHED CC(C)CO[C@H]1CC(=NNc2ccc(C#N)cc2)C1(C)C 737428849 HTOAACJYGMUPFQ-INIZCTEOSA-N 285.391 3.797 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2CC=CCC2)CCC1 908762481 FKDSHTMTYSJYKG-CQSZACIVSA-N 261.365 3.750 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2ccnn2C)CCCCC1 839347669 ZWYSSCLGDZRLMW-ZDUSSCGKSA-N 276.380 3.551 30 20 CHED C=CCOc1ccc(C(=O)O[C@@H]2C=CCCC2)cc1OC 733425833 REIBXOGKXIENLA-CQSZACIVSA-N 288.343 3.526 30 20 CHED CC(C)(C)c1ccc(NC(=O)c2cccc(C#N)n2)cc1 589253932 KVHINLCQYRZCSE-UHFFFAOYSA-N 279.343 3.503 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)Nc1cc(C#N)ncn1 584388438 UQFLKYKCGAYJDJ-ZDUSSCGKSA-N 280.375 3.517 30 20 CHED Cc1oc(-c2cccs2)nc1CON=C1CCC1 735490315 VLFLSKKVTAOJDN-UHFFFAOYSA-N 262.334 3.768 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 837595879 IVVZDZVKCFBIOG-ZWNOBZJWSA-N 293.769 3.501 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2c(F)cccc2Cl)C1 839060347 ZQOAGWCRWNPECR-UWVGGRQHSA-N 281.714 3.718 30 20 CHED CC(C)c1ccc(O[C@H](C)CNc2cc(C#N)ccn2)cc1 580108509 PVRNTZHNCHDHNX-CQSZACIVSA-N 295.386 3.956 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21 589343305 MJXFWPIKPDUGDG-VQTJNVASSA-N 299.377 3.694 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)NCC(C)(C)CCC#N)C1(C)C 588177984 ZTZHLJPIIPOXRZ-KBPBESRZSA-N 276.424 3.671 30 20 CHED C=CCC[C@H](NC[C@H]1OCCc2ccccc21)C1CC1 678585306 ACYJFVWAODOQKV-ZWKOTPCHSA-N 271.404 3.635 30 20 CHED N#C[C@]1(C(=O)OCc2ccc3c(c2)CCC3)CC12CCCC2 837903248 PDLYAXJWZLCJBD-IBGZPJMESA-N 295.382 3.693 30 20 CHED CCC(C#N)(CC)C(=O)NCCc1ccc(C(C)C)cc1 598971527 VHMPLHUELCCQHU-UHFFFAOYSA-N 286.419 3.799 30 20 CHED CC[C@H](OCCN1CCC[C@H](CC#N)C1)c1ccccc1 595622880 FHXZHAREMSKOGT-AEFFLSMTSA-N 286.419 3.780 30 20 CHED FC(F)(F)c1ccnc(NN=C[C@H]2CC=CCC2)c1 834983197 LPUJHBHRPAGPRI-JTQLQIEISA-N 269.270 3.854 30 20 CHED CCCOc1cc(C=NNc2ccccc2)ccc1OC 916247297 OCANZMAUIGGBAQ-UHFFFAOYSA-N 284.359 3.930 30 20 CHED CCC[C@]1(C)CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1 742430433 QZGJKINXVIYOLA-MRXNPFEDSA-N 287.363 3.873 30 20 CHED CCN(C(=O)/C=C\c1ccco1)[C@@H](C)c1ccc(C#N)cc1 914509477 NHIVAKIVSBHQNX-BMSUMIBZSA-N 294.354 3.774 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CSCc2ccccc21 915933989 PENUCUNLLRKAJM-UHFFFAOYSA-N 299.355 3.658 30 20 CHED CCC(CC)Oc1ccc(C(=O)N(CC)[C@@H](C)C#N)cc1 598350668 RVQXXHQWQJJIAR-ZDUSSCGKSA-N 288.391 3.628 30 20 CHED O=C1/C(=C\c2cnc3ccccn23)Cc2c(Cl)cccc21 740765242 SWFOBLXJQNTDBT-FLIBITNWSA-N 294.741 3.810 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(C)[C@@H](C#N)CC)cc1 594089589 PPXPWGGOIDSNJQ-XJKSGUPXSA-N 272.392 3.503 30 20 CHED CCCCCCCOC(=O)c1ccccc1[S@](=O)CC 919032900 HLKRRAVAVIUHCY-HXUWFJFHSA-N 296.432 3.941 30 20 CHED CCOc1cccc(C/N=C/c2ccc(OCC)cc2O)c1 915982308 WMJDBDJVZDDJNG-CPNJWEJPSA-N 299.370 3.809 30 20 CHED C=CCCn1cc(/C=C/C(=O)c2ccc(CCC)cc2)nn1 849243022 OXURHDPHWOACFH-VAWYXSNFSA-N 295.386 3.703 30 20 CHED CCCOc1ccc(-c2ccc(OC)cc2CO)cc1C#N 596641062 BKKDRCZXTBMMMC-UHFFFAOYSA-N 297.354 3.515 30 20 CHED C=C(CNC(=O)[C@@H](CC)OC1CCCC1)c1ccccc1 672481098 LHPJLBXGEAFMSV-QGZVFWFLSA-N 287.403 3.554 30 20 CHED CC(C)CC(CC(C)C)NC(=O)N1CCC[C@H](CC#N)C1 595487194 DSRBCDDGDSWFQR-OAHLLOKOSA-N 293.455 3.782 30 20 CHED CC[C@@H](COC(=O)c1ccc(C)c(C#N)c1)CC(F)F 845757554 WYZKWCCAKMGBBR-LLVKDONJSA-N 281.302 3.705 30 20 CHED CC(C)[C@@H](O)Cc1ccccc1-c1ccc(F)c(C#N)c1 593950885 BNXQOYDBBCCLLZ-SFHVURJKSA-N 283.346 3.924 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1oc2ccccc2c1C 916241597 AOXOMARSAHVYMH-UHFFFAOYSA-N 294.358 3.984 30 20 CHED CCCOc1cccc(CN2CCC(CCC#N)CC2)c1 592135968 MNAGCBMDKWTMSM-UHFFFAOYSA-N 286.419 3.991 30 20 CHED Cc1oc(-c2ccccc2)nc1CN(C1CC1)[C@@H](C)C#N 595717954 QPZOJNCTEROBEB-LBPRGKRZSA-N 281.359 3.527 30 20 CHED CCCCCCCC(=O)O[C@H](C)C(=O)NC1CCCCC1 919222593 FIMLFQXJYIBOPM-CQSZACIVSA-N 297.439 3.728 30 20 CHED CC[C@H](C)C[C@@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O 743041691 BZWAIPJRHFAIFJ-ALNRQSLMSA-N 264.325 3.544 30 20 CHED CCOc1cccc(/C=N/Cc2ccc(F)cc2F)c1O 745624954 QFCNPSWPKGDIHA-VXLYETTFSA-N 291.297 3.688 30 20 CHED C=CCN(C(=O)c1cnc2ccccc2c1C)C(C)C 748708849 QHMPHEYZWCYBPD-UHFFFAOYSA-N 268.360 3.580 30 20 CHED CC(=NNc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 916250534 KTCNKEIGKKIEOY-UHFFFAOYSA-N 269.304 3.739 30 20 CHED CCCC(C)=NNc1ccc(Cl)c(C(=O)O)c1 916259900 UYSHDOMMOAZUBR-UHFFFAOYSA-N 254.717 3.626 30 20 CHED C=CC1CCN(C(=O)c2ccc(OCC(C)C)cc2)CC1 599686094 ANIZLTHLIWBYRJ-UHFFFAOYSA-N 287.403 3.760 30 20 CHED Cc1cc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)ns1 598884198 ZKGVRADRCOFVKN-UHFFFAOYSA-N 297.383 3.523 30 20 CHED Cc1cccc([C@H](C)NC(=O)N2CCC[C@@H](CC#N)C2)c1C 596312781 XJPPEZSJGRDTSS-HOTGVXAUSA-N 299.418 3.700 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)N1CCC[C@@H](CC#N)C1 595623235 KLJITELTIKLPLQ-CABCVRRESA-N 268.404 3.862 30 20 CHED CCCCCCCC(=O)NC[C@H](C)N1CCCC[C@H]1C 915298389 LYVHETLVPUKONY-CVEARBPZSA-N 282.472 3.726 30 20 CHED CCC[C@H](C(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)cc1 596892896 ABIJNANJBOSTHI-WFASDCNBSA-N 292.810 3.842 30 20 CHED Cc1cc(C#N)ccc1NCc1ccc(OC(C)C)nc1 846746429 ZQZPFTGYTJXMTE-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC(C)(NC(=O)CC1(C#N)CCCCC1)c1cccs1 597260281 BLTXSYSZDQDKFV-UHFFFAOYSA-N 290.432 3.964 30 20 CHED O=C(O)c1ccccc1NN=Cc1cc2cc(F)ccc2o1 741758823 IJMWEOYXWCCYDN-UHFFFAOYSA-N 298.273 3.716 30 20 CHED C=CCN(C(C)C)S(=O)(=O)c1ccccc1C(C)(C)C 742279083 PWUZSRFVIUSHSE-UHFFFAOYSA-N 295.448 3.569 30 20 CHED Cc1ccccc1CCN(C)CCc1ccc(C#N)cc1 595506973 JKGSHTIDQSRMOZ-UHFFFAOYSA-N 278.399 3.584 30 20 CHED C=CCCCS[C@@H]1CCN(c2ccc(C)cc2)C1=O 742970224 GTVVDESMGYDGSU-OAHLLOKOSA-N 275.417 3.800 30 20 CHED Cc1ccc(C2(C(=O)NCC(C)(C)CCC#N)CCC2)cc1 591780471 FBBWZVPLJOEQPC-UHFFFAOYSA-N 298.430 3.863 30 20 CHED CC(C)C[C@@H](C(=O)N(C)[C@H](C)C#N)c1ccc(Cl)cc1 598844801 QKPWDNLPEOTKSK-IUODEOHRSA-N 292.810 3.840 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn(C2CCCC2)c1 928792179 BTBGADWPBOGWIB-HNNXBMFYSA-N 261.369 3.539 30 20 CHED C=CCSc1nnc2n(C(C)C)c3ccccc3n12 847227619 JPVMDZZQGQWVGT-UHFFFAOYSA-N 272.377 3.543 30 20 CHED CCOc1ccc(/C=N\CCc2cccc(F)c2)c(O)c1 747715865 QTYBGUFSRRIGRP-UNOMPAQXSA-N 287.334 3.592 30 20 CHED C[C@H](CC(C)(C)C#N)NC1(c2ccc(F)cc2)CC1 925848095 ZXPQDMUOXISDST-GFCCVEGCSA-N 260.356 3.733 30 20 CHED C=CCCCCNC(=O)[C@H]1CCc2c(Cl)cccc21 681145535 BBRCXXCJCQNJSL-AWEZNQCLSA-N 277.795 3.842 30 20 CHED Cc1cc(CN=C(N(C)C)N(C)C)ccc1-c1ccccc1 849097606 BRLMUWMLWSBGMH-UHFFFAOYSA-N 295.430 3.641 30 20 CHED CCCn1nccc1/C=C1/C(=O)c2cccc(C)c2[C@@H]1C 853007130 PUPRROVSFQXFBN-KWWJGWKXSA-N 280.371 3.985 30 20 CHED C=CCOc1ccccc1C(=O)O[C@@H](C)c1ccncc1 757685933 GPMUDMMXNKMKGD-ZDUSSCGKSA-N 283.327 3.564 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 758852778 DITZOEOYNPTPRF-XJKSGUPXSA-N 273.376 3.834 30 20 CHED CCCCCCCCNC(=O)N[C@H](C)c1ccccn1 754838183 JDUNQVRUKDSTEQ-CQSZACIVSA-N 277.412 3.802 30 20 CHED CC1(C)CCC[C@H](C=NNC(=S)Nc2ccccn2)C1 752732722 CVTXCMFMVFSOPT-LBPRGKRZSA-N 290.436 3.570 30 20 CHED C#CCC1(c2nc(Cc3cnccc3C)no2)CCCCC1 854101331 SAUBELYYXGUYEC-UHFFFAOYSA-N 295.386 3.589 30 20 CHED CC[C@H](C)N(CC)C(=O)Nc1ccc(C#N)c(Cl)c1 929257339 PJLSKQKAJJXSES-JTQLQIEISA-N 279.771 3.864 30 20 CHED C=CCCC(C)(C)NC(=O)CCC[C@@H](O)c1ccccc1 856374726 GHQHMHJUCVRNCM-MRXNPFEDSA-N 289.419 3.751 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1COc2ccc(Cl)cc21 925532496 SMFDDWVTADPAII-GXFFZTMASA-N 278.783 3.691 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(F)ccc2O)cc1F 757466886 ACTHLOWYQDJHLN-GORDUTHDSA-N 290.265 3.575 30 20 CHED CCCCCCCCCN(C)CN1CCSC1=S 921051837 FKINTQWLGQBASX-UHFFFAOYSA-N 288.526 3.960 30 20 CHED CC[C@H](CC(=O)[C@@H](C#N)c1nc2c(C)ccnc2[nH]1)C(C)C 750731086 UKMCENMAMKMCBC-CHWSQXEVSA-N 298.390 3.515 30 20 CHED CCC(=NNc1ccc(Cl)nn1)C1CCCCC1 750918209 RWIFMBFAFUNLKO-UHFFFAOYSA-N 266.776 3.888 30 20 CHED C=CCN(CCCCCCO)CC1CCCCC1 750185848 SJQKZEIBBBCPET-UHFFFAOYSA-N 253.430 3.607 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C=C1/CC[C@H](C)C1 753626794 UPYLZDAQIVFWIV-IXJPEXDMSA-N 287.334 3.523 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@H](CC#N)c1ccccc1 851205435 ZJRBFCALADHXET-ZBFHGGJFSA-N 298.386 3.946 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(F)cc1N(C)C 759180858 YBYSVGMSEJGNBG-UHFFFAOYSA-N 289.329 3.867 30 20 CHED COc1cc(F)cc(NN=C(C)c2cccc(C#N)c2)c1 759212971 SADUSSZKRZDVMC-UHFFFAOYSA-N 283.306 3.542 30 20 CHED Cn1nncc1/C=C/C(=O)c1ccc(C2CCCCC2)cc1 751033898 WUECQDDAWKFEGE-VAWYXSNFSA-N 295.386 3.759 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)c(F)c1 759083740 PNGDVBPLMXAVAC-HYXAFXHYSA-N 286.693 3.642 30 20 CHED FC(F)CON=Cc1ccc(SC(F)F)cc1 758900457 WUTOJFHNOQSQCU-UHFFFAOYSA-N 267.247 3.617 30 20 CHED Clc1ccc(-c2ccc(C=NNC3CC3)o2)cc1 758130689 ZWDPXZWJECZIND-UHFFFAOYSA-N 260.724 3.686 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](CC)c1ccc(Cl)s1 753265071 QFXVTSKYTDNBGT-VHSXEESVSA-N 284.812 3.564 30 20 CHED CC[C@H](C)c1ccc(C(C)=NNc2ncccn2)cc1 863079064 FEEKGKHYUMXDTL-LBPRGKRZSA-N 268.364 3.826 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1C)c1nc(C)cs1 932053991 NTXFZZNWCZWBSN-CQSZACIVSA-N 299.399 3.513 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(C(F)(F)F)cn1 768769397 IHSSRVPFSIELBP-UHFFFAOYSA-N 299.292 3.912 30 20 CHED Clc1cncc(NN=C2C[C@@H]3CCCc4cccc2c43)n1 763353443 DCMSVYITOABTCH-NSHDSACASA-N 298.777 3.770 30 20 CHED COc1ccc(CNN=C[C@@H]2CCC[C@H](C)C2)cc1 768361806 XJYVCRVPENESJL-DZGCQCFKSA-N 260.381 3.597 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(CC2CC2)C2CCC2)c1 931700061 DAOKOJQKPWSFIN-UHFFFAOYSA-N 283.375 3.663 30 20 CHED C=C(Br)COC(=O)[C@H](C)C(CC)CC 761493444 URCOTOKLDMAOMH-SECBINFHSA-N 263.175 3.511 30 20 CHED C#CCC(C)(C)C(=O)NCC1(Cc2ccccc2)CCCC1 767097811 BYOJQTRMUFDYGV-UHFFFAOYSA-N 297.442 3.955 30 20 CHED Cc1cccc(C)c1C=NNCCCOCc1ccccc1 863178605 YDDQFMYLBHVZIJ-UHFFFAOYSA-N 296.414 3.834 30 20 CHED c1ccc2ncc(CNN=C3CCCCC3)cc2c1 764776326 WVXGYLBXTTYYOK-UHFFFAOYSA-N 253.349 3.645 30 20 CHED CC(=NNc1ccc(F)c(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1O2 863179201 QSOSICPHZOQZOG-UHIISALHSA-N 282.746 3.834 30 20 CHED Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)s1 760224255 OHLNRUHBYVAVCI-UHFFFAOYSA-N 270.361 3.687 30 20 CHED CCOCCON=C1CC(c2ccc(Cl)cc2)C1 774438118 OSYQLCDXTHGSIK-UHFFFAOYSA-N 267.756 3.627 30 20 CHED CCC[C@H](C)C(CC)=NNc1cccc(S(C)(=O)=O)c1 776264701 ZBKDXTHOGRDOMC-LBPRGKRZSA-N 296.436 3.704 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCSC2)cc1 773029145 CUNZWLQKNYNYGF-OCCSQVGLSA-N 297.851 3.974 30 20 CHED C=C(C)CCNC(=O)N[C@@H](CC)c1ccc(F)cc1 1117840285 MUNBDASGBWBLPM-AWEZNQCLSA-N 264.344 3.542 30 20 CHED COC(=O)c1cc(C=NNc2ccc(C(C)(C)C)cc2)c[nH]1 779825531 WWAPZSDFIWULBK-UHFFFAOYSA-N 299.374 3.545 30 20 CHED C#C[C@@H](C)NC(=O)c1ccc(Oc2ccccc2Cl)cc1 775387653 FZIHFCIKOKERIP-GFCCVEGCSA-N 299.757 3.884 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1F 776729285 SOFGGHVJBIQLKV-QPJJXVBHSA-N 296.257 3.502 30 20 CHED Cc1ccc(C[C@H](C)C(=O)OCc2ccc(C#N)cc2)cc1 778877360 KKNOUINHANPZFH-HNNXBMFYSA-N 293.366 3.789 30 20 CHED C=C(C)COC(=O)C1(c2ccc(F)cc2F)CCC1 777212438 GCTKBUFFOVGHGR-UHFFFAOYSA-N 266.287 3.506 30 20 CHED CC(=NN=C1CC(C)(C)CC(C)(C)C1)c1cnccn1 779775071 USICQNHVAKCFNV-UHFFFAOYSA-N 272.396 3.878 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1csc(C(F)(F)F)n1 1116819667 YFBMHOSPEWSWJI-LLVKDONJSA-N 293.310 3.807 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)Oc2c(F)cccc21 775421584 RGNPCPBJYNTCGV-ZDUSSCGKSA-N 289.350 3.523 30 20 CHED CC(=NOC1CCCC1)c1c(Cl)nc2ccccn12 774603395 RGSGHBQXLQMUSF-UHFFFAOYSA-N 277.755 3.671 30 20 CHED CC(C)C(NCCCOc1ccc(C#N)cc1)C(C)C 776026335 LUJCCEUYMRQLDB-UHFFFAOYSA-N 274.408 3.597 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(C(F)F)cc1 885584673 POUAMOKAVWBQIE-UHFFFAOYSA-N 251.276 3.612 30 20 CHED COc1ccc(NN=Cc2ccc(Cl)cc2F)cc1 783522322 PUFHGVFCXKRPON-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CCCCNN=Cc1ccc(C(F)(F)F)cc1C 785453237 NCBCVFIDWWBJGN-UHFFFAOYSA-N 258.287 3.737 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccnc1Cl 787028164 UQPMSQMNXLGBRE-ZBEGNZNMSA-N 297.789 3.945 30 20 CHED CC1(C)CCC(=NN=c2cc[nH]c3ccccc23)C1 783842210 QTZBMLVXLMQBIW-UHFFFAOYSA-N 253.349 3.635 30 20 CHED Cc1cc(C(=O)/C=C\c2c(Cl)cccc2Cl)n(C)n1 789157184 WTLSXPAQZKRJSF-SREVYHEPSA-N 295.169 3.931 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2cncs2)cc1C 783713290 OXILHLCFXXNDOV-PLNGDYQASA-N 273.357 3.665 30 20 CHED C=C(C)CNCc1cc(C)c(OC(F)F)c(C)c1 783754177 PDWIGYXJAOHNPK-UHFFFAOYSA-N 255.308 3.571 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1cc(C)on1 790296709 CBRKKBKWKFCJAU-UHFFFAOYSA-N 280.331 3.676 30 20 CHED Cc1cccnc1NN=C1CCCC[C@H]1N1CCCCC1 790186619 RAZFENRTUSMIQF-MRXNPFEDSA-N 286.423 3.586 30 20 CHED C=C(Cl)CNCc1ccc(OCC(C)C)cc1 1200702937 IQHJHTAZKTVFAV-UHFFFAOYSA-N 253.773 3.564 30 20 CHED CC[C@H](C)NN=Cc1ccc(F)c(C(F)(F)F)c1 790184368 UVAQGOMJQLAXER-QMMMGPOBSA-N 262.250 3.567 30 20 CHED CC[C@H](NCCCC#N)c1ccc(Br)cc1 271961154 FWFPVKGKYOONOC-ZDUSSCGKSA-N 281.197 3.794 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1 1131782466 QRECJFDEPQBEIN-LALPHHSUSA-N 251.370 3.684 30 20 CHED C=CCCCCNC1CCN(Cc2ccccc2)CC1 274406983 CPEFUDRMCCVTKI-UHFFFAOYSA-N 272.436 3.597 30 20 CHED CO[C@@H]1CCC[C@H](CC(=O)O[C@H](C#N)C2CCCCC2)C1 796069255 UYJXGGAPSCOGGM-NUEKZKHPSA-N 293.407 3.597 30 20 CHED CC1(C)CCC[C@H]1OC(=O)CSc1ccc(C#N)cc1 799485484 UBQQVXJFFRBWQJ-CQSZACIVSA-N 289.400 3.772 30 20 CHED CC[C@H](C)NN=C1CCC[C@H]2CN(Cc3ccccc3)C[C@H]12 790183964 PWMURLAMUCDNDC-SZMVWBNQSA-N 299.462 3.663 30 20 CHED C#CCN(C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 792302209 RICOFZQYVCAEDI-UHFFFAOYSA-N 284.428 3.999 30 20 CHED CC[C@@H](C)CON=C1CCC[C@H]1CNC(=O)OC(C)(C)C 793146668 UFDFEZITJFSDAT-OLZOCXBDSA-N 298.427 3.730 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CCc2nc(C)ncc2C1 793521554 CNTLTUPWQSAIQC-PBHICJAKSA-N 287.451 3.757 30 20 CHED C[C@@H](NN=Cc1ccc2ncccc2c1)C(C)(C)C 793113108 ZHPJYZYZIIVMPI-GFCCVEGCSA-N 255.365 3.593 30 20 CHED COCCCON=Cc1cnc(-c2ccc(C)cc2)s1 795054755 BLEJHGNEMIMPGW-UHFFFAOYSA-N 290.388 3.506 30 20 CHED CSCC(=NNc1ncccc1C)c1ccccc1 790186970 RWIUHTHCHKMYHM-UHFFFAOYSA-N 271.389 3.569 30 20 CHED CCCc1ccc(C(=O)/C=C\c2c(C)cnn2C)cc1 794697114 IHKDQJAEHUPLQC-KHPPLWFESA-N 268.360 3.577 30 20 CHED CCc1cccc2c1OCCC2=NOCCC(F)(F)F 794932207 CJBMBFWABJYKOG-UHFFFAOYSA-N 287.281 3.705 30 20 CHED O=C1/C(=C\c2ccc3ncccc3c2)Oc2cc(O)ccc21 797197976 RWJDPZRRJKWXAS-RQZCQDPDSA-N 289.290 3.557 30 20 CHED C#C[C@H](CC)OC(=O)c1c(-c2ccccc2C)noc1C 796849590 HVJONUXRFUUDFZ-CYBMUJFWSA-N 283.327 3.527 30 20 CHED C#C[C@@H](CCC)NC(=O)c1oc2c(C)cccc2c1C 791204754 GNZIGZYIYCPQMO-ZDUSSCGKSA-N 269.344 3.581 30 20 CHED C#CCCCCC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 773426666 DIKGDBWQWARHOA-AWEZNQCLSA-N 289.341 3.807 30 20 CHED CC(C)[C@H](CNc1ncccc1C#N)Cc1ccccc1 1307098960 PSKGATXMCBUJAH-KRWDZBQOSA-N 279.387 3.880 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 1154486260 RNQWCJRNQDNASL-ROUUACIJSA-N 298.430 3.654 30 20 CHED Cc1csc2ncnc(Oc3cccc(F)c3C#N)c12 1307071664 FJBXRJWUTMQWCK-UHFFFAOYSA-N 285.303 3.803 30 20 CHED Cc1cnn(-c2ccc(Oc3nc(C)ccc3C#N)cc2)c1 1307094260 JRSYDTSCTKAOTM-UHFFFAOYSA-N 290.326 3.548 30 20 CHED N#Cc1cccc(-c2nnc(/C=C/c3ccccc3F)o2)c1 1322997395 SMABWLRFQZCEBS-CMDGGOBGSA-N 291.285 3.918 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1327858359 KZUGWAKYRXZXIY-WBTNSWJXSA-N 278.440 3.751 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccccc1C 1328716104 PFDZFCWUKCQOMU-UHFFFAOYSA-N 282.391 3.919 30 20 CHED CC(C)(C)Cc1nnc(-c2cc(C#N)ccc2Cl)o1 1257903413 JSNSXMOOEIJAKD-UHFFFAOYSA-N 275.739 3.850 30 20 CHED N#CCc1cccc(N[C@@H]2CCCc3sccc32)n1 1320491131 RJCPZCZCZZPJNZ-CYBMUJFWSA-N 269.373 3.699 30 20 CHED C=C[C@H](CC)CC(=O)NCCc1ccc(Cl)s1 1333668119 KXQAJVNARZBWII-SNVBAGLBSA-N 271.813 3.663 30 20 CHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 1254642688 GAGDCAISCFQXEY-WZRBSPASSA-N 298.308 3.928 30 20 CHED CCCCCCCCNC(=O)[C@H]1CCOC(C)(C)C1 1335861458 HQDZKZRZTGDLKY-AWEZNQCLSA-N 269.429 3.668 30 20 CHED C=C(C)CCC(=O)N(C)c1ccc2ccccc2n1 1337536625 YOKAUQVQCJMFDL-UHFFFAOYSA-N 254.333 3.554 30 20 CHED C#CCC1(C(=O)Nc2ccc(C(C)(C)C)nn2)CCCCC1 1338846501 SPZWQWATFREWOA-UHFFFAOYSA-N 299.418 3.686 30 20 CHED C[C@H]1CC(=NNc2ccc(C(C)(C)C)nn2)C[C@H](C)C1 1253411536 KSLNBFYPPWHTOJ-VXGBXAGGSA-N 274.412 3.998 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2CCOC(C)(C)C2)CCCC1(C)C 1262620920 SYIHZOOVDCUNBH-LSDHHAIUSA-N 293.451 3.785 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CC/C=C\c1ccccc1 1349908140 XBJCIDMPEKPPRB-IYCSXQJISA-N 270.376 3.631 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1ccc(OCC#N)cc1 1351466332 FVOMQCWKGSLCIV-AWEZNQCLSA-N 294.354 3.640 30 20 CHED Cc1cc(C)cc(C2(C(=O)O[C@H]3CCC[C@@H](C#N)C3)CC2)c1 1436648835 JFMSKEZTSZXLAI-WBVHZDCISA-N 297.398 3.961 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc(F)c3ccccc23)C1 1516784086 ZBHBLWBHBYXWEJ-NWDGAFQWSA-N 283.302 3.828 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)cc1C#N 1521087676 XJBJOJKZVFIYDK-YOEHRIQHSA-N 284.403 3.811 30 20 CHED COc1ccc(C#N)cc1CN1CC(C)(C)CCC1(C)C 1460460137 GRVJEOKZVQHNHT-UHFFFAOYSA-N 286.419 3.967 30 20 CHED CCC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C1CCCC1 1460819392 SOJAVMRZXYDANF-MRXNPFEDSA-N 288.366 3.786 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1cc(C#N)ccc1F 1460791496 QVFNAQGEXBOMCM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(SC[C@@H]2CCCC[C@@H]2C(=O)O)ccc1C#N 1600303665 VNQXUZMIGJJQMG-ZFWWWQNUSA-N 289.400 3.850 30 20 CHED O=C(O)c1ccc(SCC#Cc2ccc(F)cc2)cc1 1602402807 HPYHDGXISCYMMZ-UHFFFAOYSA-N 286.327 3.668 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C(=O)O)c1ccccc1 1602856649 DYEBGBRDLKAUQD-LSDHHAIUSA-N 261.365 3.537 30 20 CHED N#Cc1cccc(C2(NCc3cc(O)ccc3Cl)CC2)c1 1473464267 CUFVCVVNPMOSNK-UHFFFAOYSA-N 298.773 3.696 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 119567995 QPGYUUNDWRYINY-LBPRGKRZSA-N 279.330 3.678 30 20 CHED N#Cc1ncccc1S[C@H]1CCc2c(F)cccc21 1641128431 OTVHEAZJXVROID-AWEZNQCLSA-N 270.332 3.872 30 20 CHED Cc1nnc(Sc2cccc(C#N)n2)n1C1CCCCC1 1642016069 DALRJRWKNIZOMJ-UHFFFAOYSA-N 299.403 3.510 30 20 CHED C[C@H]1CC(C(=O)Nc2cc(C#N)ccc2F)C[C@H](C)C1 1596936191 GIOOMQNWTLVUCS-GHMZBOCLSA-N 274.339 3.708 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)Nc1cc(F)cc(C#N)c1 1673773439 JMUYLVWCFNKOAV-SNVBAGLBSA-N 287.294 3.515 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)c(C)c1 1777352407 OKVLFZAONMZFNC-TWGQIWQCSA-N 296.322 3.598 30 20 CHED CC(C)c1cccc(C(=O)/C=C\c2cc(C(=O)O)co2)c1 1776375504 VGLBQXJOLCYGEY-SREVYHEPSA-N 284.311 3.997 30 20 CHED CC(C)[C@H]1CCCCC1=NNc1ccc(CC(=O)O)cc1 1776084929 XXLFLDMOZWXSSN-OAHLLOKOSA-N 288.391 3.928 30 20 CHED CCn1c(C)cc(C=NNc2cccc(C(=O)O)c2C)c1C 1776086562 BJFICWJZJAMVSK-UHFFFAOYSA-N 299.374 3.577 30 20 CHED O=C(O)c1cc(/C=C/C(=O)c2ccccc2Cl)cs1 1776115350 VPFZPSBETWYTFR-AATRIKPKSA-N 292.743 3.996 30 20 CHED N#Cc1ccccc1OCC(=O)c1ccc2c(c1)CCCC2 5216058 DGEKVMUFCJDFFM-UHFFFAOYSA-N 291.350 3.699 30 20 CHED N#CCCCCSCc1nc(-c2cccs2)no1 161205837 BYOZSOAEWSRGPW-UHFFFAOYSA-N 279.390 3.725 30 20 CHED CCCC[C@@H](COC)Nc1ccccc1O[C@@H](C)C#N 162261451 FWWCPXAGTCULFG-KBPBESRZSA-N 276.380 3.595 30 20 CHED N#CCCCN1C[C@@H]2CCCC[C@@]21c1ccccc1 152523488 YWTKHGHJKIWSFK-DLBZAZTESA-N 254.377 3.691 30 20 CHED N#CCC(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 153527617 MGYVDOYSERUEHU-GOSISDBHSA-N 290.322 3.552 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(OCCF)c1 153869444 HGYUYZCRQSKAHY-UHFFFAOYSA-N 277.339 3.742 30 20 CHED C[C@@H](Nc1ccc(F)cc1OCC#N)c1ccc(C#N)cc1 155429843 MEWIOGJCRBCOPT-GFCCVEGCSA-N 295.317 3.773 30 20 CHED Cc1ccc(CN(C)Cc2cc(F)ccc2C#N)s1 159678380 HNPDRWPMVGDNMK-UHFFFAOYSA-N 274.364 3.699 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)c(Cl)c1 162928018 WJWLFCYDEAJWGS-BBRMVZONSA-N 274.795 3.976 30 20 CHED CC(C)c1cc(N[C@H](C)c2ccc(C#N)cc2)ncn1 40766385 GWDPZUQRPMFASJ-GFCCVEGCSA-N 266.348 3.645 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@@H](C)C1 172812139 LGDDQZRMXJCPGO-RISCZKNCSA-N 256.349 3.632 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCc1ccc(C#N)cc1 308085537 GPJXJOPLEXJKRC-INIZCTEOSA-N 272.392 3.637 30 20 CHED CC1(C)CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 404127007 RGIJKNDCTUAGGK-CQSZACIVSA-N 260.356 3.756 30 20 CHED N#Cc1ccc(CN[C@@H](c2cccs2)C2CC2)cc1F 404565220 ALKXKRVBEOKATH-MRXNPFEDSA-N 286.375 4.000 30 20 CHED N#Cc1cccc(CCNCc2ccc(F)cc2Cl)c1 466423709 RVGVFNUSQZFAOR-UHFFFAOYSA-N 288.753 3.683 30 20 CHED C#C[C@@H](CCC)NC(=O)c1sc2cccc(F)c2c1C 700626264 KGEFEINMRRNVDH-NSHDSACASA-N 289.375 3.881 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cc2ccccc2s1 321490774 SPTFVMVVHTXLJW-TZMCWYRMSA-N 275.417 3.879 30 20 CHED C=CC(C)(C)CNCc1ccc(Cl)c(OC)c1 623538541 IRVAIIUXJNUZMF-UHFFFAOYSA-N 253.773 3.650 30 20 CHED C[C@H](NC[C@@H]1CCCC1(F)F)c1ccc(C#N)cc1 381674286 LKKFNLORUFKJTQ-FZMZJTMJSA-N 264.319 3.644 30 20 CHED N#CCc1ccc(CN2CCCc3ccccc32)cc1 399123654 QJSHNJQYPLDMHX-UHFFFAOYSA-N 262.356 3.705 30 20 CHED C=CCCNCc1sccc1NC(=O)OC(C)(C)C 895330815 PVFQPXPWICXHBN-UHFFFAOYSA-N 282.409 3.761 30 20 CHED C=C(C)CSc1ncnc2c1cnn2Cc1ccccc1 6317619 RQTNXRLYTZGNNG-UHFFFAOYSA-N 296.399 3.543 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCC(C)(C)C2)n1 179376104 GVFDUSIMMQWYFO-VXGBXAGGSA-N 276.405 3.844 30 20 CHED CCC[C@H](C)c1cc(NC(=O)c2cccc(CC#N)c2)[nH]n1 173338969 SKFHGIHMLYHCOW-LBPRGKRZSA-N 296.374 3.632 30 20 CHED CC(C)(NCc1ccc(F)cc1C#N)c1ccc(F)cc1 103482538 YTHDRQPJUZSDRX-UHFFFAOYSA-N 286.325 3.861 30 20 CHED C=CCC(CC=C)C(=O)NCCOc1cccc(Cl)c1 176961526 LOABQJNVQXTZPW-UHFFFAOYSA-N 293.794 3.603 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1cc(F)ccc1F 177872018 SVMSXACXJZGWCZ-SECBINFHSA-N 271.332 3.601 30 20 CHED CCC[C@@H](C(=O)Nc1sccc1C#N)C(C)C 134096218 LRZDBICYGXEBSU-LLVKDONJSA-N 250.367 3.631 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 116851719 OPLQYMBNLUFCFG-GDLCADMTSA-N 263.768 3.524 30 20 CHED CCN(CC)C(=O)[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 118445737 UAJCWPKZNYQYLM-STQMWFEESA-N 290.432 3.609 30 20 CHED CCCCOc1ncccc1CNc1cccc(F)c1C#N 63859711 QOXYMRWYBNTXJV-UHFFFAOYSA-N 299.349 3.883 30 20 CHED C=CCCCC(=O)NCc1ccc(Oc2ccccc2)nc1 175498061 FKZNFPBZOSIVBE-UHFFFAOYSA-N 296.370 3.846 30 20 CHED Cc1ccc(C2=NN/C(=N\c3ccccc3)SC2)s1 24512561 NHAJPILWYIRGPK-UHFFFAOYSA-N 287.413 3.785 30 20 CHED Cc1cc(OCCN(C)[C@H](C)CC#N)ccc1C(C)C 346025000 AEZAQXNUUMAXRB-OAHLLOKOSA-N 274.408 3.731 30 20 CHED C=CC1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 301344922 GJFNKYSEYZSWLS-UHFFFAOYSA-N 280.293 3.979 30 20 CHED N#CCCCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 171000016 SNGVAATWHBXNSX-ZWKOTPCHSA-N 292.382 3.753 30 20 CHED CC[C@](C)(NCCCC(C)(C)C#N)c1nc(C)cs1 174881339 GHEBMQXMWSCTHP-HNNXBMFYSA-N 279.453 3.996 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1c1ccc(F)cc1 302851534 IZRFELDMFZUYDF-GOEBONIOSA-N 297.289 3.574 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)NCCCCC#N 172621677 PDHDFNVCMHMCJY-HNNXBMFYSA-N 279.428 3.681 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCCCCC#N)C1 172374961 IMPVCBZOGYBFLT-JKSUJKDBSA-N 299.418 3.576 30 20 CHED N#Cc1cccc(NCc2ncc(-c3ccccc3F)o2)c1 174293917 LKAJZFRSIPMYSS-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccc(OC)n1 470907329 RLLFSBKVDILOIZ-UHFFFAOYSA-N 282.387 3.669 30 20 CHED CCCC(=O)Nc1ccc(CNc2ccc(C#N)cc2)cc1 301105517 PHLHVMYEIYNRTB-UHFFFAOYSA-N 293.370 3.909 30 20 CHED N#Cc1cnc2ccccc2c1NCc1ccc(F)cc1 37507638 BHVNHPXHIRWVLR-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CCOc1cc(NCc2ccc(C#N)cc2)ccc1OC 37091764 GUYLIXMXOFKLIO-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C=C(C)CN[C@H](C)c1ccc(OC)c(Br)c1 120604569 NNIYCZKGLRZYBB-SNVBAGLBSA-N 284.197 3.684 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@@H]2Cc2ccccc2)nc1 301359831 LUMNOGDMVMWZOZ-SJORKVTESA-N 277.371 3.777 30 20 CHED CC#CCCCC(=O)N1CCC(c2ccsc2)CC1 188014210 BMUKZHQVBQSHSH-UHFFFAOYSA-N 275.417 3.648 30 20 CHED N#CC1(NC(=O)CCc2cccc(Cl)c2)CCCCC1 73171429 PBQFYPMQRNVPPD-UHFFFAOYSA-N 290.794 3.615 30 20 CHED CC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(OC)cc1 181810770 DOBWKOJXGUBLJY-GOSISDBHSA-N 298.361 3.947 30 20 CHED C[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1C#N 37912129 ADPGFFGPRJPPTF-SECBINFHSA-N 254.255 3.566 30 20 CHED N/C(=N\OCc1ccc(C(F)F)cc1)c1cccs1 185782543 SQLFVJUFLYXSCO-UHFFFAOYSA-N 282.315 3.523 30 20 CHED Cc1ccc(C#N)cc1NCC1=Cc2ccccc2OC1 501007464 XPAFXDZHKYJJAR-UHFFFAOYSA-N 276.339 3.755 30 20 CHED C=CC[C@H](C(=O)NCCc1cccc(F)c1)c1ccccc1 186275057 CSBGMDZRHFREIO-SFHVURJKSA-N 297.373 3.844 30 20 CHED CC(C)(C)CN(CCCO)CCC1(C#N)CCCCC1 411254535 NSIZRNSJLUQJGV-UHFFFAOYSA-N 280.456 3.581 30 20 CHED C=CCCCC(=O)Nc1nc2c(F)c(F)ccc2s1 500624130 NFDRMUMDDLGYDH-UHFFFAOYSA-N 282.315 3.869 30 20 CHED CC(C)[C@H](C)N(Cc1ccc(C#N)cc1F)C1CC1 505249947 XPALTPJYNQRHKK-LBPRGKRZSA-N 260.356 3.706 30 20 CHED C[C@H]1CC(C(=O)Nc2ccccc2C#N)C[C@H](C)C1 182315066 VLINTMZPNWRAHB-VXGBXAGGSA-N 256.349 3.569 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)c1ccccc1C 410127282 LCJIBODOQXZXKZ-GJZGRUSLSA-N 259.393 3.960 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1cc(C)ccc1Cl 410179749 BRXHSNGJSAQQGQ-ZDUSSCGKSA-N 295.810 3.840 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CCC(C)(C)C 78091459 CMIHNDGUTOGRTB-UHFFFAOYSA-N 284.403 3.899 30 20 CHED CCC[C@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F 76489749 WJZZTURRQLTVOH-VIFPVBQESA-N 282.290 3.534 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H](C)c1ccccc1 123229354 AIIJARGXGFVVAZ-OAHLLOKOSA-N 272.392 3.578 30 20 CHED C[C@H](C#N)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 335998426 DFEHAYJMFGBCCH-RNCFNFMXSA-N 297.185 3.817 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C#N)cc1 413103683 LOYXZMRGDOOCPW-HZPDHXFCSA-N 299.418 3.572 30 20 CHED C=C(C)[C@@H](NCc1cnn(CC)c1)c1ccc(F)c(F)c1 187374678 WMMNWQYRBZIRKV-MRXNPFEDSA-N 291.345 3.588 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C1CC1)C1CC1 128233843 SVYZNZYBBYPOQS-UHFFFAOYSA-N 294.398 3.509 30 20 CHED C=CCCCC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F 504541150 YYUGGZOVBPUHDR-AWEZNQCLSA-N 285.309 3.937 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC(F)(F)F 369804860 YCWKFAHZWNMBHX-ZIAGYGMSSA-N 282.309 3.711 30 20 CHED C=CCC[C@@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C1CC1 182820216 KXHJUJUTDZXDLJ-SMDDNHRTSA-N 286.375 3.563 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1 185322286 IPCGVIHFMSZMGC-HNNXBMFYSA-N 298.336 3.826 30 20 CHED COC(C)(C)[C@H](C)Nc1cccc(OCCCC#N)c1 336829334 GSOKVSMRCQQWTJ-ZDUSSCGKSA-N 276.380 3.595 30 20 CHED N#CCSc1cccc(C(=O)OC2CCCCC2)c1 79380431 ILKBMAQUJVLWSE-UHFFFAOYSA-N 275.373 3.792 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1c(C)cc(C)cc1C 410121886 BCBHJUUFQLZJMX-HNNXBMFYSA-N 259.393 3.625 30 20 CHED C=CCOc1cccc(NC(=O)NCCCCCC)c1 72025531 KBNDVRGRDIAFBT-UHFFFAOYSA-N 276.380 3.953 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C)c(-c2ncco2)c1 186050235 INBZWCWGRXCWEU-UHFFFAOYSA-N 282.343 3.638 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 186018994 DHFSUDGUQRXRAD-SNVBAGLBSA-N 277.330 3.519 30 20 CHED Cc1cnc(SCCC2(C#N)CCCCC2)nc1 412989994 GUZXHKDZBMPIQI-UHFFFAOYSA-N 261.394 3.741 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(F)cc2C)c1 137382879 KLLHMFDNLNAAEB-UHFFFAOYSA-N 285.318 3.951 30 20 CHED CC(C)(CCC#N)CNCc1cccc2ccoc12 449331012 MZBJIGORJXWCGF-UHFFFAOYSA-N 256.349 3.852 30 20 CHED N#Cc1ccc(F)c(CSCCOCC2CCC2)c1 419649781 QPRVDEQAIWIZPG-UHFFFAOYSA-N 279.380 3.747 30 20 CHED CCOC[C@@H]1CCC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 417372668 WFFOPTPYPMYUSO-WDSOQIARSA-N 298.430 3.730 30 20 CHED CC#CCNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 136012464 ZHCXIHAVUIAEBH-HNNXBMFYSA-N 284.403 3.583 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)o1 49372018 IYHIBHWSJBEMAI-GQCTYLIASA-N 262.692 3.843 30 20 CHED C[C@H]1C[C@@H](C)O[C@H]1C(O)=Nc1ccc2ccoc2c1 328675454 QUPAZJRIKONBIV-IMSIIYSGSA-N 259.305 3.834 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)C1CCOCC1 414303308 NJGJXUSBADTVKU-MAUKXSAKSA-N 273.420 3.579 30 20 CHED CCC[C@H](C(=O)[C@H](C#N)c1ccccn1)c1ccccc1 41494156 AFOMDFJFGFRMEP-JKSUJKDBSA-N 278.355 3.842 30 20 CHED C#Cc1cccc(NC(=O)Nc2nc3ccccc3s2)c1 195663790 GWLRVEHXEQIYDI-UHFFFAOYSA-N 293.351 3.922 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCC[C@@H]1C#N)CC3 329612767 DRVBOBLNKKEPLJ-CKEIUWERSA-N 293.414 3.616 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)NCCC1CCCCC1 46902633 ONJRCSMYMKGBDN-UHFFFAOYSA-N 299.418 3.670 30 20 CHED CC1(CC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 428232324 UJHXXPFERBHIHN-UHFFFAOYSA-N 256.349 3.616 30 20 CHED C#CCCCC(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 190674958 DJESTUHKXBWQNY-KBXCAEBGSA-N 269.388 3.620 30 20 CHED CCCC1(C(O)=Nc2nc3cccnc3n2C)CCC1 329318412 DJJTUZSSNCRWBH-UHFFFAOYSA-N 272.352 3.527 30 20 CHED Cc1cccc(C2(C(=O)N[C@H](C)CC#N)CCCCC2)c1 194636861 QPWFNUIYJLPGQD-OAHLLOKOSA-N 284.403 3.615 30 20 CHED C=C(Cl)CNC(=O)c1cc2c(s1)CCCCCC2 134817537 SPMZBZRQCCHBOF-UHFFFAOYSA-N 283.824 3.889 30 20 CHED C=C(C)CNc1c(F)cc(Br)cc1F 83848190 XLHKBVZJZUIZGL-UHFFFAOYSA-N 262.097 3.715 30 20 CHED CCCCC/C(O)=N/S(=O)(=O)c1ccc(C)cc1C 46929951 FMGCCBFAVOXMGB-UHFFFAOYSA-N 283.393 3.529 30 20 CHED O/C(=N/[C@H]1CC12CCCCC2)c1ncoc1C1CC1 329002592 HGEUURFSWLNYJF-NSHDSACASA-N 260.337 3.579 30 20 CHED COc1ccc(CN(C)Cc2ccc(C)cc2)cc1C#N 87833122 LEHVLPKEWLLWKN-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C=CCC1(c2nc(COc3ccc(F)cc3)no2)CCC1 191325739 OUNVLIIAXHIJPP-UHFFFAOYSA-N 288.322 3.786 30 20 CHED CCC(CC)(CC)[S@@](=O)Cc1cccc(C#N)c1 190570468 OJGHFDZFEJDASJ-SFHVURJKSA-N 263.406 3.776 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)CS1 86934758 VQTGQFYIOIYOPR-KCJUWKMLSA-N 252.770 3.518 30 20 CHED C=CCC[C@H](N[C@@H](C)c1ccnn1C)c1ccccc1 193034320 OZMJLRXJZIVAHZ-HOCLYGCPSA-N 269.392 3.778 30 20 CHED C=CCC(C)(C)c1nc(-c2cc(F)cc(F)c2)no1 426388904 BFEYGHWVSWZKEY-UHFFFAOYSA-N 264.275 3.869 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 336615883 LRSIAGQRFFMQPB-MLGOLLRUSA-N 266.344 3.879 30 20 CHED Cc1cccc2c1N(C(=O)c1ccc(C#N)s1)CCC2 335682168 KUGGJWOGQBLZEW-UHFFFAOYSA-N 282.368 3.521 30 20 CHED CC(C)CCOc1ccc(/C=C/C(=O)c2ccnn2C)cc1 193056236 CKUBEGNQMALKAE-RMKNXTFCSA-N 298.386 3.741 30 20 CHED C=CCC[C@H](NC(=O)c1cn(C(C)C)cn1)c1ccccc1 336973357 RWDCBLVGCYGSIG-INIZCTEOSA-N 297.402 3.901 30 20 CHED Cc1ccc(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1C 334399135 MFMGXZCIUTZIKU-IRXDYDNUSA-N 298.430 3.839 30 20 CHED N#Cc1ccc(Oc2snc(Cl)c2C#N)c(Cl)c1 92583668 PSSCGEIWZXKQIG-UHFFFAOYSA-N 296.138 3.986 30 20 CHED COC(C)(C)C[C@H](C)Nc1ccc2cc(C#N)ccc2n1 92916795 OHDSRNJRHHQOQT-LBPRGKRZSA-N 283.375 3.722 30 20 CHED Cc1c(N[C@H](C)c2cccc(C#N)c2)cnn1CC(C)C 143010928 QQNIPNJOZVMMTD-CYBMUJFWSA-N 282.391 3.892 30 20 CHED Cc1cc(NC[C@]2(C)C[C@@H]2c2ccccc2)cc(C#N)n1 338741809 OMFYHFVZDYVITM-MSOLQXFVSA-N 277.371 3.867 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(Cl)cc1Cl 335912027 JEQDYMUTZGMYNI-UHFFFAOYSA-N 285.174 3.615 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 331495615 GRVIBMUXEOEGLF-YHUYYLMFSA-N 291.439 3.583 30 20 CHED CN(CCCOCc1ccccc1)c1ccc(C#N)cc1F 384311685 IOCTVVJWMHYOHA-UHFFFAOYSA-N 298.361 3.740 30 20 CHED C=CCN(C(=O)c1ccc(C)c(Br)c1)C(C)C 93220572 SWKIWRMDQDNGOA-UHFFFAOYSA-N 296.208 3.794 30 20 CHED N#Cc1ccncc1NC[C@H]1CCCO[C@H]1c1ccccc1 94150204 HDCKXDJHWKYWTC-AEFFLSMTSA-N 293.370 3.533 30 20 CHED C=CCCN[C@@H](c1ccc(C)cc1)c1ccccn1 338542878 SBSCXEGHAPSEFL-KRWDZBQOSA-N 252.361 3.645 30 20 CHED CC(C)(C)[C@@H]1CCCN1Cc1cn2ccccc2c1C#N 524757386 ZIOPMEWAIOFYNE-KRWDZBQOSA-N 281.403 3.821 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cnc2ccccc2c1 337886511 DMORVDZUWLBTHR-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#CC1(CN2CCc3cc(Cl)cc(Cl)c3C2)CC1 343321435 NHIFBDCPKAJEAI-UHFFFAOYSA-N 281.186 3.655 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1F)C(=O)OC(C)(C)C 525117137 HEXVUZZDLOAWJN-SECBINFHSA-N 281.352 3.520 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cc(COC)cc(C(=O)OC)c1 430199168 BCYADANXAZSKPY-QWHCGFSZSA-N 291.391 3.632 30 20 CHED CCCCOc1ccc(CCNc2cccc(C#N)n2)cc1 522904408 PZPXSLAMLDFRKH-UHFFFAOYSA-N 295.386 3.787 30 20 CHED C=C(C)[C@H](N[C@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1 249160922 YVHVAIYHVWJOLG-RLCCDNCMSA-N 281.346 3.597 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CC2(c3ccccc3)CC2)n1 528910710 UIMRCXQIAGLEJK-AWEZNQCLSA-N 296.395 3.750 30 20 CHED CC[C@H](C)NC(=O)[C@@H](C)S[C@H](C)c1ccc(C#N)cc1 246399877 PFMXVGAOWNDBSO-YNEHKIRRSA-N 290.432 3.656 30 20 CHED Cc1ccc2sc(CN3CCC(CC#N)CC3)nc2c1 528439091 DZQSGRSERVLFLL-UHFFFAOYSA-N 285.416 3.730 30 20 CHED C=CCN(CCCCCF)Cc1cccc(C#N)c1 341832483 AZZXGUPCHXTFOB-UHFFFAOYSA-N 260.356 3.686 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC=CC[C@@H]1C 342511010 SYWCNVSUNIWONY-GOEBONIOSA-N 276.424 3.767 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)Cc1ccc(C)cc1 436312117 JQTHOUAJYAQXMI-QYZOEREBSA-N 287.447 3.887 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1C1CCCCC1 437857528 HGUASTXEKRPSMU-SJLPKXTDSA-N 292.467 3.502 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(F)cc1Cl 435741893 RJMUSOMGLCRMOU-DOMZBBRYSA-N 283.774 3.550 30 20 CHED CCCOc1ccccc1OCCOc1ccc(C#N)cc1 253372144 DNBJFXIYFWFBBM-UHFFFAOYSA-N 297.354 3.805 30 20 CHED C=CCCCCNC(=O)Nc1cccc2cccnc12 349815201 ZMRSNUKMLFIWGO-UHFFFAOYSA-N 269.348 3.713 30 20 CHED N#CCc1ccc(COc2cccc(-n3cccn3)c2)cc1 342473300 DTDWGCJJHKVCIB-UHFFFAOYSA-N 289.338 3.517 30 20 CHED N#Cc1ccc(C(=O)Nc2cnccc2-c2ccccc2)cc1 344213003 GOLVCLBTVDAONF-UHFFFAOYSA-N 299.333 3.873 30 20 CHED C=CCCC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 439994328 JSIKBOKFCRILIU-IBGZPJMESA-N 283.415 3.849 30 20 CHED Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@H](C)C#N 344911925 SDLINHNSPTVHJL-MRXNPFEDSA-N 292.382 3.684 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C\c1ccc(Cl)nc1 255474631 SYAALKPIRFRUOA-ALCCZGGFSA-N 297.745 3.567 30 20 CHED CCOC1(C)CCN(c2cccc(Cl)c2C#N)CC1 295644392 FDEWMCBOABVLHC-UHFFFAOYSA-N 278.783 3.607 30 20 CHED CCn1cc(/C=C\C(=O)c2cccc3ccccc23)cn1 255475449 URJIQAMIJCFVCF-KHPPLWFESA-N 276.339 3.952 30 20 CHED C=CCCN(C)[C@]1(c2ccccc2)CCCCC1=O 342142319 UONTVMJDZGMCQF-KRWDZBQOSA-N 257.377 3.533 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1nc2ccccc2[nH]1 604506873 ZOYWKNYPEJWBLW-ZDUSSCGKSA-N 279.368 3.790 30 20 CHED C=CCC(F)(F)c1nc([C@@H](OC)c2ccc(F)cc2)no1 340643702 MNGMKNJCODMIRH-NSHDSACASA-N 298.264 3.612 30 20 CHED CN(C(=O)C[C@@H]1C[C@H]1c1ccccc1)c1ccc(C#N)cc1 341385425 OJRPTLFFIYJFBL-WMZOPIPTSA-N 290.366 3.715 30 20 CHED CCN(Cc1cccc(Br)c1)CC1(C#N)CC1 347497276 YPRVQZRPSZIANH-UHFFFAOYSA-N 293.208 3.575 30 20 CHED CCC(C#N)(CC)c1nc(-c2cccc(C)c2F)no1 528185127 KQWVEJZPETTWSD-UHFFFAOYSA-N 273.311 3.766 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cc(Cl)sc1Cl 539298263 QMMQVYAUFOLEST-DTWKUNHWSA-N 294.247 3.890 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)c2cocc2C)cc1 528409858 JWPFJLCARKCEPG-UHFFFAOYSA-N 298.342 3.547 30 20 CHED C=CCCOCCCCC(=O)N1[C@@H](C)CCC[C@H]1C 342828473 DMPYDTBBJDTKLT-GASCZTMLSA-N 267.413 3.539 30 20 CHED CCC1(CC)CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 445695132 PGGCVYCDFXWWLK-CQSZACIVSA-N 299.418 3.841 30 20 CHED CCCN(C)c1ccccc1N[C@H]1CC[C@H](C#N)C1 600215429 LDFCBGSVUNPIOW-KBPBESRZSA-N 257.381 3.637 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(C)c1ccc(C#N)cc1F 609217111 VNZSNMSWAVEJSM-JSGCOSHPSA-N 288.366 3.877 30 20 CHED COc1ccc(C)cc1[C@@H](C)NC[C@@H](C)CCC#N 602510263 GLUPEEIXXYMXGJ-UONOGXRCSA-N 260.381 3.594 30 20 CHED COc1ccc2c(c1)CC[C@H]2NCC(C)(C)CCC#N 601280486 OPVDYPVWJCWLAS-MRXNPFEDSA-N 272.392 3.602 30 20 CHED Cc1cc(CSCc2ccc(C#N)c(C)c2)no1 447414754 SYUGIVPREKJPMV-UHFFFAOYSA-N 258.346 3.597 30 20 CHED C=CCCC(=O)COc1cc(Cl)cc(Cl)c1 534242635 UMUKZYKXEARHHA-UHFFFAOYSA-N 259.132 3.908 30 20 CHED N#Cc1cccc(OCCNc2ccc3ccoc3c2)c1 442863423 CWRRAPLRMJIVFA-UHFFFAOYSA-N 278.311 3.795 30 20 CHED C=CCCOCCCCC(=O)N1CCC(C)(CC)CC1 537202617 SRFLLXWGAQSXSR-UHFFFAOYSA-N 281.440 3.788 30 20 CHED CC(C)[C@H](C)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 354304881 XZKMCEIQNJRXPL-GOEBONIOSA-N 272.392 3.577 30 20 CHED CC(C)(C)[C@H]1CN(CC2(C#N)CC2)c2ccccc21 444783114 JTVXCUUWEAABQM-AWEZNQCLSA-N 254.377 3.940 30 20 CHED C/C=C/c1ccc(NC(=O)N2CCC(F)(C#N)CC2)cc1 353249941 AGZMLGXCRUWMFL-NSCUHMNNSA-N 287.338 3.579 30 20 CHED CCC(C)(C)C1CCC(NC(=O)[C@]2(C#N)C[C@H]2C)CC1 448597371 XIPZRQYPOLZSHC-WNZJFKNXSA-N 276.424 3.647 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccccc1Cl)C(C)C 537085633 JTJWQGCEWMWGQG-CZUORRHYSA-N 281.827 3.954 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(c3ccccc3)CCCC2)C1 442714298 JUFYDNGFDRKVPF-NVXWUHKLSA-N 268.404 3.780 30 20 CHED Cc1nc(NCC(C)(C)CCC#N)c(Cl)cc1C#N 359956569 YIVYMYKKUJKJDO-UHFFFAOYSA-N 276.771 3.657 30 20 CHED COc1cccc(CCCNCc2ccc(C#N)c(C)c2)c1 443976239 DKBQYBWVWDAYKW-UHFFFAOYSA-N 294.398 3.598 30 20 CHED CCC(CC)n1ccc(CNc2cc(C#N)ccc2OC)n1 269308563 FJVMTIGCHYGOJS-UHFFFAOYSA-N 298.390 3.737 30 20 CHED C=CCCCC(=O)N(C)Cc1c(F)cccc1Cl 267120673 TWJAZOHZDPHJQL-UHFFFAOYSA-N 269.747 3.794 30 20 CHED C=C[C@H](Nc1cc(-c2ccc(C)o2)ccc1C)C(=O)OC 619734575 MEUBMAFEIHBDML-AWEZNQCLSA-N 285.343 3.703 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccc(C)nc3)no2)cc1 355955413 DCEYMSWEMYPGJG-UHFFFAOYSA-N 293.326 3.672 30 20 CHED CC(C)C1(C)CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 354831006 CYNXHMQUERVFCK-UHFFFAOYSA-N 288.366 3.596 30 20 CHED C=CCCOCCNC(=O)N(CC(C)(C)C)CC(C)(C)C 539311692 BMNIYROONOVFGB-UHFFFAOYSA-N 298.471 3.683 30 20 CHED N#CCC1CCN(C/C=C/c2ccc(Cl)cc2)CC1 530336760 RWYQRCXVIOECHJ-OWOJBTEDSA-N 274.795 3.979 30 20 CHED COc1ccsc1CN[C@@H](CCC#N)c1ccccc1 269611546 MDGKOLCMZKIMFX-AWEZNQCLSA-N 286.400 3.891 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC[C@@H]1CCCOC1 532709435 XXRREXWXGOOAPF-KGLIPLIRSA-N 290.432 3.919 30 20 CHED CCOC(=O)CCCCCSc1ccc(C#N)cc1F 610218922 JUISWECHJNBWFM-UHFFFAOYSA-N 295.379 3.913 30 20 CHED C=CCC1(CNC(=O)N(C)Cc2ccco2)CCCC1 455475446 IMWUUSIOJZNCCY-UHFFFAOYSA-N 276.380 3.558 30 20 CHED N#CCCCC(=O)Nc1ccc(Sc2ccncc2)cc1 360379248 NCTPZABEXMIONS-UHFFFAOYSA-N 297.383 3.865 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)[C@@H](C)c1cccc(C#N)c1 457251392 ZXYRKSCLMPZGOI-FDQGKXFDSA-N 284.403 3.603 30 20 CHED C=CCOc1ccc(CNC(=O)C(C)(C)C2CCC2)cc1 451671004 YFXDFVONWCBPRB-UHFFFAOYSA-N 287.403 3.694 30 20 CHED Cc1nccn1CCCS[C@H](C)c1ccc(C#N)cc1 271874941 YXSJHPLDIXDUSB-CYBMUJFWSA-N 285.416 3.948 30 20 CHED Cc1ccc(C#N)c(N2CC(c3cccc(Cl)c3)C2)n1 450821174 QVCCZCCXKSAIBZ-UHFFFAOYSA-N 283.762 3.519 30 20 CHED C=CCC1(NC(=O)[C@H]2CSc3ccccc32)CCCC1 619107604 GQIJEGVTNNHFRR-AWEZNQCLSA-N 287.428 3.881 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCCCC1CCOCC1 274179194 DWHLITOPPSEYEG-AWEZNQCLSA-N 288.391 3.596 30 20 CHED CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452659743 YQJFJSADSTZXRJ-RYUDHWBXSA-N 276.767 3.637 30 20 CHED C=CCCN[C@H](C)c1nc2ccccc2n1C(F)F 275469081 OEVKISOLRRSYEK-SNVBAGLBSA-N 265.307 3.658 30 20 CHED CC#CCCCC(=O)N(CC)c1ccc2[nH]ccc2c1 276725711 XGWOONRLDWCLEW-UHFFFAOYSA-N 268.360 3.714 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)C[C@H]1C 451201704 KPLQSANGHCISJN-KBXIAJHMSA-N 276.424 3.599 30 20 CHED COCc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 271910678 DOXZTLXGUUWARN-CYBMUJFWSA-N 298.361 3.695 30 20 CHED C=CCCc1noc([C@@H]2SCCc3ccccc32)n1 453229260 GOOALXAFYTUZLT-CQSZACIVSA-N 272.373 3.567 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@@H]2CCO[C@@H](CC)C2)c1 272737520 MHHBPKQEKDKDDP-AEFFLSMTSA-N 299.414 3.616 30 20 CHED C=CCOCCN[C@H](C)c1ccc(F)c2ccccc12 549717600 DSAUQLYDZMRVRH-CYBMUJFWSA-N 273.351 3.832 30 20 CHED C=CCOc1cccc(CN[C@@H](C)CCc2ccco2)c1 620438749 KDDSFCRBRZXJDP-HNNXBMFYSA-N 285.387 3.955 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 455304742 CUSQZOGINTYIQH-HIFRSBDPSA-N 290.382 3.679 30 20 CHED Cc1ccccc1C1CCN(C(=O)CC(C)(C)C#N)CC1 278734161 NUTNGKKRZFOVTA-UHFFFAOYSA-N 284.403 3.641 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)[C@H]2CCCC[C@@H]12 542969155 KQIGJSLRLJGMCP-COXVUDFISA-N 254.377 3.569 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1cccc(C#N)c1 271362951 IOXBKTKUPFWYLY-UGSOOPFHSA-N 298.361 3.563 30 20 CHED N#CCc1ccc(CNc2cccc3ccncc23)cc1 541291759 YAXSYKQULPOCTN-UHFFFAOYSA-N 273.339 3.913 30 20 CHED CC[C@H]1CC[C@@H](C)N1c1ncc(Cl)c(C)c1C#N 543137102 NKWXRBUIKYPWBH-KOLCDFICSA-N 263.772 3.682 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](Oc1ccc(Cl)cc1)C(C)C 462126327 NPPJHWTWDOHNHG-WFASDCNBSA-N 295.810 3.824 30 20 CHED C=CCCC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 371521558 GMZFSWKBUUDZEF-UHFFFAOYSA-N 269.348 3.598 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N(CC#N)C2CC2)cc1 469072691 SXZOBRMGNMVZOL-AWEZNQCLSA-N 284.403 3.503 30 20 CHED N#Cc1ccc(CN2CCC=C(c3ccco3)C2)c(F)c1 375664916 PQRCHVHKDMUYIQ-UHFFFAOYSA-N 282.318 3.580 30 20 CHED COc1ccc(C)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1 461740871 BOFQQHUQAKFPCM-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccc(F)cc1O 287644401 USYAOFJAXBHIKO-VMGRFDJRSA-N 293.382 3.553 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H](OCC)C1CC1 626908388 DBZNSHFIGCXEEW-MRXNPFEDSA-N 273.376 3.559 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc2oc(C)nc12 280520085 RTRKTWBZSVLVPQ-UHFFFAOYSA-N 286.375 3.955 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2C[C@H]2Cc2ccccc2)n1 462887195 XQPAAPWQGFFNPI-WBVHZDCISA-N 277.371 3.613 30 20 CHED CC[C@H](Nc1cccc(C#N)n1)c1ccc(OC)c(OC)c1 286393311 PBRXVGYMMXSONV-AWEZNQCLSA-N 297.358 3.534 30 20 CHED C=CCn1c(SCC[C@H]2CCCO2)nc2ccccc21 468474226 FRNMWYMKNOQEPX-CYBMUJFWSA-N 288.416 3.884 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(C)cc2F)no1 289763890 PIQWEUQXUBYXSM-TZMCWYRMSA-N 288.322 3.633 30 20 CHED Cc1ccccc1OCCN(C)Cc1cc(F)ccc1C#N 469259433 SQUYZHRDLWKDOB-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C[C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 558493274 MVXFZUVGKWJPLY-ISTRZQFTSA-N 254.377 3.714 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](C)c1cccc(C)c1 559972706 WXJDAWRKAJFLGM-CQSZACIVSA-N 259.393 3.817 30 20 CHED CCCCCCCC(=O)N1CCCc2occc2C1 289649585 JVCZFFHFBAVQGW-UHFFFAOYSA-N 263.381 3.915 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(C)c(F)cc1Cl 806583350 RUTTZMTVQVOECG-SNVBAGLBSA-N 282.746 3.711 30 20 CHED N#CC1(C(=O)NCc2ccc3sccc3c2)CCCCC1 291355153 XTSPIMLMXRAPMT-UHFFFAOYSA-N 298.411 3.992 30 20 CHED C=C(C)Cn1c(N2CCC[C@@H](CC)C2)nnc1C(C)(C)C 555266753 FDHCEWSUNRHHRT-CQSZACIVSA-N 290.455 3.778 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccc(Cl)cc1Cl 298687969 CBNQPYVAWYNYQN-MRVPVSSYSA-N 286.162 3.617 30 20 CHED C=C(C)CCOC(=O)c1ccc(F)c(C(=O)CC)c1 803408878 OXXVXSBAYDIORX-UHFFFAOYSA-N 264.296 3.541 30 20 CHED O=C1/C(=C/c2cnccn2)CSc2ccc(Cl)cc21 809154886 HWKQWRDUXUYBDI-WEVVVXLNSA-N 288.759 3.502 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCCCCCC1 809925346 IIVPERCUHJEYAL-CQSZACIVSA-N 276.428 3.748 30 20 CHED C=CCC[C@H](O)CN(Cc1ccccc1)[C@@H](C)C1CC1 472774168 PYSBRAOEHDINQZ-YJBOKZPZSA-N 273.420 3.614 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)c1ccsc1 800790339 JBUQHHHJHAEKJU-IIBSKXHVSA-N 261.346 3.642 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1c1ccsc1 291098629 TWWONTYABOWSSQ-AWEZNQCLSA-N 288.420 3.566 30 20 CHED C#CCNC(=O)C1(Cc2cccc(Cl)c2)CCCCC1 806309401 FDVGAFQWTJNBON-UHFFFAOYSA-N 289.806 3.582 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(Cl)c(Cl)cc1F 806510090 ZXRMUQHZKYIUJO-SSDOTTSWSA-N 289.137 3.666 30 20 CHED COc1ccc2cc(CN(C)[C@H]3CC[C@@H](C#N)C3)ccc2c1 293508083 OCSGNQLYMMUIMQ-KDOFPFPSSA-N 294.398 3.972 30 20 CHED COc1cccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 568776631 WOQZDFNXCRYADC-ORAYPTAESA-N 292.382 3.905 30 20 CHED Cn1ccc2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc21 294354504 BHTGLNDQNWXXRL-GOSISDBHSA-N 293.370 3.591 30 20 CHED C=CCCCCNC(=O)Nc1ccc(F)c(F)c1F 473500548 YXEYOGLHSBJEPO-UHFFFAOYSA-N 272.270 3.582 30 20 CHED CCCCCCCCC(=O)NCc1noc2c1CCCC2 807741030 YAUBHTQEMKZGLJ-UHFFFAOYSA-N 292.423 3.920 30 20 CHED CC(C)(CCC#N)CNCc1cc(Cl)ccc1[N+](=O)[O-] 808429370 JTYMQRUMGIYHKH-UHFFFAOYSA-N 295.770 3.668 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)CCCN)cc1 817977757 OERUFNURZWDVJD-UONOGXRCSA-N 296.842 3.596 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)c1cccc(F)c1 489856133 GQBQDISVFNYQNV-GFCCVEGCSA-N 263.356 3.648 30 20 CHED CC(=NOCCC1CC1)c1nc2ccc(Cl)cc2n1C 814245679 CTWVJQYYSFZYSK-UHFFFAOYSA-N 291.782 3.767 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(OC(F)(F)F)cc1 488875135 VYHGAYCUMAFDRE-GFCCVEGCSA-N 299.292 3.766 30 20 CHED C=CCCCn1nnc(-c2ccc(Cl)cc2)c1C 568301820 ZEEUVMPJPRAJSW-UHFFFAOYSA-N 261.756 3.873 30 20 CHED CC1(C)CC(=NOCc2cccnc2)c2sccc2O1 814884395 WFISOTOZHSXGAQ-UHFFFAOYSA-N 288.372 3.625 30 20 CHED C=CCC(F)(F)C(=O)NCC(C)(C)C1CCCCC1 815892045 DEYATMOHWKLEGL-UHFFFAOYSA-N 273.367 3.921 30 20 CHED CCCc1[nH]ccc1C(=O)OC[C@H](C#N)Cc1ccccc1 817722591 UCVVIWAMHNRABC-HNNXBMFYSA-N 296.370 3.506 30 20 CHED CC(CCc1ccccc1F)=NN[C@@H](C)c1ccncc1 819815683 UDQHQLLTBPRION-AWEZNQCLSA-N 285.366 3.880 30 20 CHED Cc1ccc(F)c(NN=C2CCc3cccnc3CC2)c1 817325978 QJLGZRSCELVNLN-UHFFFAOYSA-N 283.350 3.876 30 20 CHED CC[C@@H]1CCCN1Cc1ccc(C#N)cc1Br 480780973 PNPXDNVGFBQKNG-CYBMUJFWSA-N 293.208 3.695 30 20 CHED CC(=NOCCC1CC1)c1nc2cc(Cl)ccc2n1C 814246046 RXBKLEYKFOMAIX-UHFFFAOYSA-N 291.782 3.767 30 20 CHED C[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 572590898 SUVJYBYFVWPUKX-GFCCVEGCSA-N 297.333 3.623 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1cc(C)ccc1C 819815945 VKKJWMMOOVCFMK-CQSZACIVSA-N 267.376 3.773 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccn1CC=C 488996410 LXNGBQINGFDGBE-UHFFFAOYSA-N 280.371 3.503 30 20 CHED C=CC[C@@H]1N(C(=O)c2cnc3ccccn23)CCCC1(C)C 570896873 ZJHUECZRZSHLAH-HNNXBMFYSA-N 297.402 3.541 30 20 CHED Cc1cc(CN[C@H](Cc2ccccc2)C2CC2)ccc1C#N 488157298 CMINVROTIYKQNK-HXUWFJFHSA-N 290.410 3.978 30 20 CHED Cc1csc(NC(=O)N2CC[C@@H](C)C(C)(C)C2)c1C#N 571774971 VLGLJWACXAZLQT-LLVKDONJSA-N 291.420 3.828 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ncc(Cl)s1 575193133 ZXELKSPXZSPYIG-UHFFFAOYSA-N 289.791 3.621 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 486494081 ZMZBXRGCMDFTCM-XIRDDKMYSA-N 286.419 3.977 30 20 CHED C=C[C@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1 488871090 PLCAAGRWQQWZLZ-ZDUSSCGKSA-N 295.835 3.999 30 20 CHED C[C@H](NC(=S)Nc1cccc(C#N)c1)c1cccs1 726437375 CWHXQHAKLRVONC-JTQLQIEISA-N 287.413 3.667 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cnn(-c3ccc(Cl)cc3)c2)C1 579340894 VXAMDNSWFQQJGM-WCQYABFASA-N 286.766 3.630 30 20 CHED C=CCCOCC(=O)OCc1ccc(CC(C)C)cc1 725928119 VNUVUTBVNHDRAU-UHFFFAOYSA-N 276.376 3.521 30 20 CHED C=CCOc1cccc(NC(=O)N2CCCC(F)(F)C2)c1 650007440 PYKMTEALVQDZEP-UHFFFAOYSA-N 296.317 3.514 30 20 CHED C=CCC1(c2nc(CCc3ncccc3C)no2)CCCC1 579082283 ZAMMDNSDRKKYPH-UHFFFAOYSA-N 297.402 3.946 30 20 CHED C=CCN(C(=O)C(F)F)c1nc(-c2ccccc2)cs1 821670570 JTZAHEZTRREGKX-UHFFFAOYSA-N 294.326 3.594 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)O)cc1 578523903 VCDRHQCTZFZUET-IEBWSBKVSA-N 289.334 3.514 30 20 CHED C#C[C@H](NC(=O)c1c(C)coc1C)c1ccc(Cl)cc1 491750742 IXVQOQBZSQUVHI-AWEZNQCLSA-N 287.746 3.654 30 20 CHED C#Cc1cccc(NC(=S)NN=C(CCC)CCC)c1 727259774 MKNXKEAKULSOIL-UHFFFAOYSA-N 287.432 3.911 30 20 CHED Cc1cccc(OCCCN[C@@H]2CCC[C@@H](C#N)C2)c1C 494495206 MOJJLEVSBYMJJR-IAGOWNOFSA-N 286.419 3.744 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1CC(F)(F)F)C(C)C 491416659 KULRMNYASXHGLA-LBPRGKRZSA-N 298.308 3.571 30 20 CHED C=CCN(C)C(=O)c1oc2ccccc2c1COC(C)C 491078115 HLBHBTIFMQJUNK-UHFFFAOYSA-N 287.359 3.616 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(O)Cc1ccc(F)cc1 901374278 HWDGBGQPIQSBNV-OCCSQVGLSA-N 279.355 3.760 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCC[C@@]1(C)C(=O)O 901733869 LWSNDTOZPOSRTK-SQWLQELKSA-N 269.429 3.968 30 20 CHED CC1(C)CN(C(=O)c2ccsc2C#N)[C@H]1c1ccccc1 906389506 RULPSHYAKYQVPF-HNNXBMFYSA-N 296.395 3.843 30 20 CHED CCCNc1ccccc1NC(=O)CCCCCC#N 589845659 YSZHHNDLHUZDKM-UHFFFAOYSA-N 273.380 3.921 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccnc(-c3ccco3)c2)C1 824966038 XCFCJQRRIDITJR-AWEZNQCLSA-N 296.370 3.770 30 20 CHED C=CCC(C)(C)c1nc(C(C)(C)c2ccc(C)cn2)no1 665086737 QZGWQWRUIRNKFD-UHFFFAOYSA-N 285.391 3.953 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C(=O)O)c1cccc(C)c1C 901852462 NIHBPQWCYRZPSY-GDBMZVCRSA-N 275.392 3.764 30 20 CHED C=CCC1(NC(=O)NCCC(C)(C)F)CCCCC1 666432047 KLDXWYWRPBLXRV-UHFFFAOYSA-N 270.392 3.703 30 20 CHED C#CCCOC(=O)c1ccc(-c2ccc(F)cc2)cc1F 730075300 UFVPTUYMUBRQIW-UHFFFAOYSA-N 286.277 3.812 30 20 CHED Clc1nccnc1NN=C1CCC[C@@H]1c1ccccc1 733079131 WIJQEXZSPLUDMS-GFCCVEGCSA-N 286.766 3.866 30 20 CHED CC(C)[C@@H](NC(=O)CCCCCC#N)c1ccccc1 588460111 PPGLSUAHSCKWOD-QGZVFWFLSA-N 272.392 3.974 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccc2ccccc2c1O 731321642 MXXBCKMBNKWTKX-UHFFFAOYSA-N 295.317 3.916 30 20 CHED CO[C@@H](C#N)c1ccc(-c2ccc(CN(C)C)s2)cc1 904864570 LBJQRXJEPYRLOT-HNNXBMFYSA-N 286.400 3.688 30 20 CHED CC/C(C)=C/C(=O)OCc1cc(Cl)ccc1OCC#N 838043616 XJSLWQKFTZRENC-DHZHZOJOSA-N 293.750 3.642 30 20 CHED Cn1ncc(/C=C/C(=O)c2cccc(C3CC3)c2)c1Cl 834444661 LKXBPCYOLPVDEZ-BQYQJAHWSA-N 286.762 3.847 30 20 CHED CCOC(=O)C(C)(C)ON=C(C)[C@H](C)c1ccccc1 835004984 JHBREIWRMXAPQV-LBPRGKRZSA-N 277.364 3.524 30 20 CHED C=CCN(Cc1ncc(-c2cccs2)o1)C(C)C 731480207 LEYBBGLCVJZDND-UHFFFAOYSA-N 262.378 3.800 30 20 CHED Cc1ccc2[nH]cc(C=NNc3cccc(C(=O)O)c3)c2c1 735608503 CCMHYXFTIKHFMF-UHFFFAOYSA-N 293.326 3.621 30 20 CHED CC[C@H](Nc1cnn(CC(C)C)c1)c1cccc(C#N)c1 902922770 XYWJAJDYUUQSMS-KRWDZBQOSA-N 282.391 3.974 30 20 CHED C=C(Br)CN1CCC[C@@H]1Cc1ccccc1C 734209985 KHSNWNLXYKIYTA-OAHLLOKOSA-N 294.236 3.911 30 20 CHED C[C@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)C1CC1 901378079 HPTRYIHVIDIKIA-QMMMGPOBSA-N 288.174 3.757 30 20 CHED C=CCC[C@@H](C)N[C@H](C(=O)O)c1cccc2ccccc12 902564030 UCWGKPXSVBVSFL-DYVFJYSZSA-N 283.371 3.910 30 20 CHED C#CCOc1cccc(NC(=O)[C@H](C)SCCCC)c1 730977934 QCXWJINRBWUIIA-ZDUSSCGKSA-N 291.416 3.559 30 20 CHED Cc1ccc(C)c(COC(=O)[C@]2(C#N)CC23CCCC3)c1 837903592 WEQVUPIEZYFGSD-GOSISDBHSA-N 283.371 3.821 30 20 CHED N#C[C@H](C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2ccccc2n1 916848524 DDQBQZLUBWJHLG-HNKHHVNMSA-N 290.366 3.847 30 20 CHED CSCC1CCC(=NN[C@H]2C[C@H]3CC[C@H]2C3)CC1 834968216 HVDJHVQURZTPMK-SQWANPQRSA-N 266.454 3.674 30 20 CHED Cc1nc(C)c(C=NN[C@H]2CCc3c(F)cccc32)s1 835020769 PDODDRKZGDZJHM-AWEZNQCLSA-N 289.379 3.510 30 20 CHED C#CCOc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1 730981106 DZJZFVCSZRMRII-OAHLLOKOSA-N 293.366 3.831 30 20 CHED C=CCN(C(=O)/C=C\c1ccc2ccccc2n1)C(C)C 915147887 PCXXRPIWTBLXOW-QXMHVHEDSA-N 280.371 3.671 30 20 CHED CC(C)c1noc(CSCCc2ccc(C#N)cc2)n1 596335966 KJEWOJGRDRSMQN-UHFFFAOYSA-N 287.388 3.541 30 20 CHED Cc1ccc([C@@H](C)C(=O)[C@H](C#N)c2nc3ccccc3o2)o1 744039002 GPPYWBSZZZHNTL-NEPJUHHUSA-N 294.310 3.709 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Cc1ccc(C#N)cc1 598450439 WGTWZXACSBFTFW-YMFAQKCXSA-N 296.414 3.526 30 20 CHED COc1cccc(C=NNc2nccc3sccc23)c1 915978906 HKZHJGVHUOQPOA-UHFFFAOYSA-N 283.356 3.751 30 20 CHED C=C(CNC(=O)c1cccc(Cl)c1F)c1ccccc1 672481657 WRAVDOSVZMIEBI-UHFFFAOYSA-N 289.737 3.922 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C(\CC)c1cccc(Cl)c1 744489365 HIINWDCRMKNZCC-HBIYDYFMSA-N 290.794 3.942 30 20 CHED C=CCN(C(=O)N[C@H](CC)C1CCCCC1)C1CC1 678543828 LIMRMGNIMYGZAB-OAHLLOKOSA-N 264.413 3.705 30 20 CHED C#CCN(CC)C(=O)c1cccc(Oc2ccccc2)c1 919877271 QKIRSGAPKYNNCJ-UHFFFAOYSA-N 279.339 3.574 30 20 CHED C#CCCCNC(=O)c1cnc(-c2ccc(C)cc2C)s1 742787322 WIZDZZWUFMRAKI-UHFFFAOYSA-N 298.411 3.570 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(Cl)nc1 748999232 PYRGXMJXVGRYTH-SOFGYWHQSA-N 257.720 3.940 30 20 CHED C=C(Cl)CN(C)[C@H]1C[C@@H](OCC)C12CCCCC2 741808744 FCULFHBZMKLKQK-UONOGXRCSA-N 271.832 3.799 30 20 CHED N#CCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 592651137 SCTPVHJYMVKCQK-SLEUVZQESA-N 288.778 3.633 30 20 CHED COc1ccc2c(c1)O/C(=C\c1cc(C)c(O)c(C)c1)C2=O 749133342 XAVHVUVYWZTEQE-PXNMLYILSA-N 296.322 3.634 30 20 CHED Cc1ncc(C=NNc2cccc(C(F)(F)F)c2)s1 917532857 UDWZQSAHMGARRN-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)Oc2cccc(OCC#N)c2)C1(C)C 841342901 RLMAONXARVGZIB-CVEARBPZSA-N 299.370 3.733 30 20 CHED CC(C)c1ocnc1C(=O)N[C@@H](CCC#N)c1ccccc1 749164684 NCLMBCWEVWLVMF-AWEZNQCLSA-N 297.358 3.573 30 20 CHED O=C(C#Cc1ccccc1)N1CCC[C@H]1C1CCCCC1 747211502 LPMQMRDXAIAXEL-SFHVURJKSA-N 281.399 3.609 30 20 CHED C#CC[C@H](OC(=O)/C=C/c1nc2ccccc2s1)C(C)C 747195490 FNRXWDXEDQSZAG-VNDWYCCKSA-N 299.395 3.901 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1=CCCC1 595804845 HZNIXUUEBXTBRU-UHFFFAOYSA-N 297.402 3.590 30 20 CHED CCCCCCCCCCNC(=O)N1CCC[C@H](CN)C1 841858215 NZBINRURIBFDSF-MRXNPFEDSA-N 297.487 3.507 30 20 CHED CCCCC(=NNc1oc(C)nc1C#N)c1ccccc1 917556678 IFYANRUGFRWPDS-UHFFFAOYSA-N 282.347 3.861 30 20 CHED C=CC[C@H](CC)N[C@H]1CCc2c(F)cc(F)cc21 684891265 UIHWHJUJHZWECG-NHYWBVRUSA-N 251.320 3.896 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc(Cl)cc2)n1 741765344 DGLVOFRIGGFECO-UHFFFAOYSA-N 281.146 3.538 30 20 CHED N#Cc1ccccc1CNc1ccc(OCC(F)F)cc1 748442548 GEBXBGGAJIPXRJ-UHFFFAOYSA-N 288.297 3.814 30 20 CHED CCOc1ccc(CNCCc2ccc(C#N)cc2)c(C)c1 594956111 UDPMNDOPRTUVGQ-UHFFFAOYSA-N 294.398 3.598 30 20 CHED Cc1cccc(C2(C(=O)N3CCC[C@H](C#N)C3)CCCC2)c1 928223607 BZUZZMPNLCVSMN-MRXNPFEDSA-N 296.414 3.569 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cccc(OCCC(C)C)c1 844521506 TVOBXJYSAXXAMZ-CYBMUJFWSA-N 292.379 3.739 30 20 CHED C=CCOC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 744042193 LMHZHDBQJHUKFR-NTMALXAHSA-N 270.250 3.838 30 20 CHED Cc1oc(C)c(C(=O)O[C@@H](C)CC(C)(C)C#N)c1C 851213215 ZCOLWNBKDVVRJJ-VIFPVBQESA-N 263.337 3.690 30 20 CHED CCCCCCCNC(=O)N1CCC(OCC2CC2)CC1 858111146 VCZPVTIGQICMOE-UHFFFAOYSA-N 296.455 3.557 30 20 CHED Cc1noc(C)c1CN(C)CCCCC1(C#N)CCC1 929254106 MYXJHSLXXSGMIT-UHFFFAOYSA-N 275.396 3.587 30 20 CHED CCC[C@H](C)C(CC)=NN=c1cc[nH]cc1Cl 756842010 IARRCSCDKVDXIX-JTQLQIEISA-N 253.777 3.771 30 20 CHED C#CC[C@@H](NCc1cnc(C2CC2)s1)c1ccccc1 756996585 QGJZHENGEIOZKE-MRXNPFEDSA-N 282.412 3.875 30 20 CHED CC(C)[C@@H](OC(=O)c1ccc(C#N)s1)c1ccccn1 750697181 FIOGWCPJNGGIMJ-CQSZACIVSA-N 286.356 3.569 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc(O)cc1 750898998 BQXMUSZRIODAQC-UITAMQMPSA-N 256.276 3.736 30 20 CHED N#CC1(CC(=O)OC/C=C\C(F)(F)F)CCCCC1 851291925 YIAJLOGZCPIOSH-DAXSKMNVSA-N 275.270 3.512 30 20 CHED CSc1cc(C)c(C(=O)OCC2(C#N)CCCCC2)o1 853113598 AYPHNAUCCBSOEE-UHFFFAOYSA-N 293.388 3.941 30 20 CHED Oc1cccc(C=Nc2ccccc2Br)c1O 920943556 NRIZUMXIQDDVHU-UHFFFAOYSA-N 292.132 3.611 30 20 CHED Cc1cccc(/C=C/C(=O)c2cc(O)ccc2O)c1C 757467636 HWIUKYPPNAWAPZ-SOFGYWHQSA-N 268.312 3.611 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2c(F)ccc(F)c2Cl)C1 857628035 YQKVZVFYHCHHMJ-RKDXNWHRSA-N 299.704 3.857 30 20 CHED N#CCCCCCC(=O)Oc1cccc(OC2CC2)c1 851346368 HHHWBGHDPXFSDG-UHFFFAOYSA-N 273.332 3.607 30 20 CHED C#CCCCCC(=O)Nc1nccc2ccc(C)cc12 855094150 VOZJHSCVUJDLPA-UHFFFAOYSA-N 266.344 3.675 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1cc(F)ccc1O 757469130 ZQSNGLXABVAGPS-ALCCZGGFSA-N 296.297 3.746 30 20 CHED Cc1ccc(NC(=S)NN=C/C=C/c2ccco2)cc1C 920363008 OTQZOFYOYPZKRE-CFVHLLPYSA-N 299.399 3.882 30 20 CHED CC[C@@H]1CCCC[C@H]1OCC(=O)O[C@H](C)CC(C)(C)C#N 851205375 FSBZEUIIUPNFTG-RBSFLKMASA-N 295.423 3.843 30 20 CHED C=CCN(C(=O)Cc1cc(-c2ccccc2)on1)C(C)(C)C 857650976 NAOBMQQTNOUAFT-UHFFFAOYSA-N 298.386 3.697 30 20 CHED Cc1cccc(C)c1/C=C\C(=O)c1csc(C(=O)O)c1 755591400 AYNCPPFRIZPIOL-SREVYHEPSA-N 286.352 3.959 30 20 CHED CC#CC(=O)N(CC(C)C)[C@H](C)c1ccccc1C 854409833 MZVWVLQQRWSVDA-OAHLLOKOSA-N 257.377 3.564 30 20 CHED CSc1cc(C)c(C(=O)OCC2(C#N)CCCC2)o1 853114743 PPVZOFIMMCTUSM-UHFFFAOYSA-N 279.361 3.551 30 20 CHED CC(C)[C@H]1CN(c2nc3ccccc3cc2C#N)CCS1 750029726 MCXJZRPPSOFMGP-MRXNPFEDSA-N 297.427 3.684 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H]1c1cc(C)no1 858109885 CFJVJPAKLAGMLI-CQSZACIVSA-N 293.411 3.800 30 20 CHED CCc1nc2c(s1)C(=NNCc1ccccc1)CCC2 756824974 ZUSGACVVORZIID-UHFFFAOYSA-N 285.416 3.536 30 20 CHED C=C[C@H](CC)CC(=O)NCCc1ccccc1OC(F)F 935589046 NBPOHJVHWKFJKS-GFCCVEGCSA-N 297.345 3.549 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCCCC1 931289794 DDISZVUXLHBZNU-UHFFFAOYSA-N 258.365 3.823 30 20 CHED C[C@H](C=NN1CCOC1=O)Cc1ccc(C(C)(C)C)cc1 863162900 FKNMGAPSZNPALC-ZDUSSCGKSA-N 288.391 3.601 30 20 CHED CCN(C)c1ccccc1CNCc1ccc(C#N)c(C)c1 767687839 HPZPONWRRXAILO-UHFFFAOYSA-N 293.414 3.613 30 20 CHED C#CCCOc1ccc(CN(C)C[C@@H](C)CC)cc1 768766911 LAZRYACNGTYSLF-HNNXBMFYSA-N 259.393 3.567 30 20 CHED CC(C)CCCCCC(=O)OCC1(C#N)CCC1 768096495 KPCSDEQJSHTPAG-UHFFFAOYSA-N 251.370 3.830 30 20 CHED Cc1ccc(CC(=O)OCc2ccc(C#N)cc2)c(Cl)c1 761995518 ZIIUWQWPLWQSRP-UHFFFAOYSA-N 299.757 3.806 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C/c2ccnn2C)cc1 863197179 KOIREYLQYZFWIT-LXKVQUBZSA-N 268.360 3.830 30 20 CHED CCCCCCCCCN1C(=O)[C@@H](C)N(C2CC2)C1=O 760950851 MVBZZZJYLKFMNU-CYBMUJFWSA-N 280.412 3.552 30 20 CHED Cc1cc(C=NNCc2cccc(Cl)c2)c(C)o1 767901437 SCWRIYLXCMEVPU-UHFFFAOYSA-N 262.740 3.674 30 20 CHED C[C@H](Cc1ccccc1Cl)NCCCCC#N 1116289066 NAGRXVPVWVRHRL-GFCCVEGCSA-N 250.773 3.554 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc2c(c1)CCN2C 769747364 YKEJTRNGUMSFKL-GQCTYLIASA-N 299.395 3.645 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2c2cccs2)cs1 1117740456 MVDUMZRRSZOTFE-GFCCVEGCSA-N 288.397 3.659 30 20 CHED C#CCCCCCCNc1cccc([C@@H]2CCC(=O)N2)c1 877591844 ZHASFUUFIIENFL-KRWDZBQOSA-N 284.403 3.633 30 20 CHED N#Cc1ccc(OCc2nnc(C3CCCCC3)o2)cc1 1117187791 ZRZWCXPKXINLEO-UHFFFAOYSA-N 283.331 3.568 30 20 CHED C#CCCCCCC(=O)Nc1cccc(-c2nnc(C)o2)c1 779922866 LBUSZEQVQUOUDU-UHFFFAOYSA-N 297.358 3.567 30 20 CHED O=C1/C(=C\c2ccc(O)c(Cl)c2)Oc2cc(F)ccc21 773171251 IVXZJVLUACMYLW-MKMNVTDBSA-N 290.677 3.801 30 20 CHED CCC(C)(C)NC(=S)N[C@@H](CCC#N)c1ccccc1 774204652 WIVJOZGPMITOML-AWEZNQCLSA-N 289.448 3.684 30 20 CHED FC(F)(F)CCON=Cc1cc(Cl)cc2c1OCC2 777456410 YBBAWCLCCRAUQR-UHFFFAOYSA-N 293.672 3.578 30 20 CHED CCc1noc(C)c1C(C)=NN[C@@H]1CCCCC1(C)C 773126511 TZKKYMDXBLGENK-CQSZACIVSA-N 277.412 3.828 30 20 CHED CC(C)(C#N)CCOC(=O)C(C)(C)c1ccc(F)cc1 776384011 WGZSIVMTVYHMHR-UHFFFAOYSA-N 277.339 3.586 30 20 CHED Cc1ccc([C@H](C)Nc2c(C#N)cccc2C#N)s1 1116798712 NWPKMNUBKLNIMP-NSHDSACASA-N 267.357 3.973 30 20 CHED O=C(/C=C\c1c[nH]nc1-c1ccccc1F)c1cscn1 776193542 QYBAMDLQYXLETQ-WAYWQWQTSA-N 299.330 3.568 30 20 CHED COc1cccc(NN=C(C)c2cnc3ccsc3c2)n1 779816638 IIMPUWFKLTVSDQ-UHFFFAOYSA-N 298.371 3.536 30 20 CHED COc1ccc(C=NNc2cc(Cl)ccn2)c(Cl)c1 777906042 QOKQHBIKASKWNP-UHFFFAOYSA-N 296.157 3.843 30 20 CHED Cc1cc(C)cc(CCC(=O)Oc2ccc(C#N)cc2)c1 776726562 KRQFNWAYRDBRPE-UHFFFAOYSA-N 279.339 3.713 30 20 CHED CCC(=NOC1CCOCC1)c1ccc(Cl)s1 774431915 KYFIHZYLJKOQNT-UHFFFAOYSA-N 273.785 3.711 30 20 CHED C=C(CC)COC(=O)C1(CCOCc2ccccc2)CC1 770610024 IITNICLKKKQVNA-UHFFFAOYSA-N 288.387 3.883 30 20 CHED C=C(C)CN(CC)C(=O)C(F)(F)c1ccc(C)cc1 779775929 KMTUQCKBQDSNSC-UHFFFAOYSA-N 267.319 3.511 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2ccsc2C#N)CCC[C@H]1C 1127767105 OFGIKFOLCLFTOI-SCVCMEIPSA-N 263.362 3.601 30 20 CHED CC#CCOC(=O)c1ccc(Cl)cc1C(F)(F)F 770498742 WLECTCWQHWXINA-UHFFFAOYSA-N 276.641 3.539 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1Nc1ccc(F)cc1OCC#N 775054930 BOCRFWXKSZUAAU-BXUZGUMPSA-N 276.355 3.965 30 20 CHED C(=NNC1CCCCC1)c1ccc(N2CCCCC2)s1 786043740 VQERJFQDUMRNAW-UHFFFAOYSA-N 291.464 3.995 30 20 CHED Cc1cc(C=NOC2CCCC2)cc2cccnc12 783859923 SRVRYGXEJANQDL-UHFFFAOYSA-N 254.333 3.836 30 20 CHED C=CCCC[C@H](NCC1([S@](C)=O)CC1)c1ccccc1 883220532 LDAWFPBELJRJSV-JXFKEZNVSA-N 291.460 3.585 30 20 CHED CC(=NNc1cccc2c1CCCC2)[C@]1(C)CCCO1 782205993 NMBSBGLRRUEAOT-KRWDZBQOSA-N 272.392 3.922 30 20 CHED C=C[C@](C)(CC)C(=O)OC[C@H]1CCC2(CCCC2)O1 784877007 FHLSRRVQTFDCAW-UKRRQHHQSA-N 266.381 3.624 30 20 CHED Cc1nc(CCCC(=O)OCCCC(C)(C)C#N)cs1 784034216 NPDMXUWMOIKJMX-UHFFFAOYSA-N 294.420 3.647 30 20 CHED COc1cc(NN=Cc2ccccc2OC)ccc1Cl 788471958 LNTXMFYZCOIUEM-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc2cnccc2c1 782286189 WNRZKYQMKATPHQ-UHFFFAOYSA-N 291.358 3.594 30 20 CHED C=CCCCCCOC(=O)CCc1csc(C)n1 783668320 MIIOYFFREHKRAD-UHFFFAOYSA-N 267.394 3.674 30 20 CHED C=CCOc1ccc(CNC[C@H]2CCC=CO2)cc1Cl 780566149 DQSOWGIGPICZGB-CQSZACIVSA-N 293.794 3.687 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc2ccsc2c1 1120733332 LKAPWEOSALAJQM-CYBMUJFWSA-N 286.400 3.867 30 20 CHED CCC[C@H](CC)S(=O)(=O)CCCCC1(C#N)CCC1 899489816 KQZYRHGSGPZCMI-AWEZNQCLSA-N 285.453 3.844 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)s1 782194957 SPEMTBHPMUGELT-ARJAWSKDSA-N 274.732 3.564 30 20 CHED C=CCCCC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 780269821 VBZXJKWANQRFBE-WDEREUQCSA-N 263.303 3.532 30 20 CHED CCc1nc(C#N)cc(NC[C@@H]2CCCC(C)(C)C2)n1 1559213246 KVZQMPFLBSNQPO-GFCCVEGCSA-N 272.396 3.539 30 20 CHED CC(C)(C#N)CC(=O)OCc1ccc2ccccc2c1 785095524 DCTANSCIWRBSCL-UHFFFAOYSA-N 267.328 3.823 30 20 CHED C=C(CN[C@H](C)c1ccccc1O)c1ccccc1 783504778 KRRRSSSINVZXPM-CQSZACIVSA-N 253.345 3.756 30 20 CHED CN(C(=O)Nc1ccc(CC#N)cc1)C1CCCCC1 76085427 DUSVDDVARQTMQZ-UHFFFAOYSA-N 271.364 3.549 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)[C@H](C)CC)c1ccccc1 780012223 BDJOCOUGCAUATE-FMKPAKJESA-N 257.377 3.549 30 20 CHED Cc1cccnc1NN=Cc1ccccc1N1CCCCC1 790193199 XZQWIKOWIKZFDE-UHFFFAOYSA-N 294.402 3.826 30 20 CHED CC(C)(C)CC(=NNc1ncncc1F)c1ccccc1 793226974 ZTSZNZUJDGUKRC-UHFFFAOYSA-N 286.354 3.868 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(C)cc1O 793164026 PYQPVHXFJULEOL-UHFFFAOYSA-N 275.739 3.585 30 20 CHED C[C@H]1CSCC1=NNc1ccccc1Br 794887567 HAOQCCCRWFTRHS-QMMMGPOBSA-N 285.210 3.600 30 20 CHED C/C(C=NNc1ncccc1C)=C/c1cccc([N+](=O)[O-])c1 790190163 GCIPWVXMBSUTFT-SAKDXEPDSA-N 296.330 3.799 30 20 CHED CCCCCCCC(=O)Nc1ccc(F)nc1F 191651270 BFOMIAKAWVOLAI-UHFFFAOYSA-N 256.296 3.659 30 20 CHED Fc1ccccc1CCNN=Cc1ccsc1Cl 790166450 GJPUHZDFGVNXMD-UHFFFAOYSA-N 282.771 3.707 30 20 CHED C=CCCCCC[C@@H](C)NCC1(C)CCOCC1 793550841 RXIOXJYGXWOYFV-OAHLLOKOSA-N 253.430 3.918 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccnc(F)c2)c1C 794720806 ICARTQHWNYPNLP-SREVYHEPSA-N 255.292 3.734 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Oc1ccc(C#N)cc1 796506111 INVVZUZXIRZDFC-HIFRSBDPSA-N 257.333 3.680 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)CCc1ccc(C#N)cc1 799462302 IWZIXUQBSLCAGF-HNNXBMFYSA-N 271.360 3.613 30 20 CHED CCC[C@@](C)(CC)C(=O)OCC(=O)c1ccc(C#N)cc1 796328520 VQTBCLROZGOKFY-QGZVFWFLSA-N 287.359 3.501 30 20 CHED C=C(C)CNC(=S)Nc1cc(-c2cccnc2)ccc1C 795012469 OEOFFBCVNSDWLL-UHFFFAOYSA-N 297.427 3.920 30 20 CHED C=CCCSCCN[C@@H](C)c1nc(C)sc1C 595060198 UGRAVWHQZKRTAW-JTQLQIEISA-N 270.467 3.720 30 20 CHED C#Cc1cccc(N(C)C(=O)C(CC)(CC)CC)c1 760501459 BDFCVYSDGHZRIC-UHFFFAOYSA-N 257.377 3.847 30 20 CHED C=CCOC(=O)c1cc(Cl)cc(C(F)(F)F)c1 778524492 OTFCMEXVFSCKMM-UHFFFAOYSA-N 264.630 3.702 30 20 CHED CCC(C)(C)CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 1226165596 WTWGUGHAJSYGEU-INIZCTEOSA-N 299.418 3.671 30 20 CHED COc1ccc(C#N)cc1NC/C=C\c1cccc(F)c1 1308430775 MWAUVLJZLPEQHL-HYXAFXHYSA-N 282.318 3.831 30 20 CHED Cc1ccccc1C1(NC(=O)Nc2sccc2C#N)CC1 1310959557 VVXBQFFUHGKMRS-UHFFFAOYSA-N 297.383 3.739 30 20 CHED CCC[C@H](CC)NC(=O)Nc1cc(C)cc(C#N)c1 1310873683 XSMCREVQLLGNSS-ZDUSSCGKSA-N 259.353 3.567 30 20 CHED N#Cc1ccc(CNCc2ccnc(-c3ccccc3)c2)cc1 1179303971 FKEUYZREDBPPDM-UHFFFAOYSA-N 299.377 3.910 30 20 CHED CCCCCCCCc1nnc([C@@H]2CCO[C@@H]2C)o1 1329484696 XSGNKYYOYAAMHO-CHWSQXEVSA-N 266.385 3.865 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCCN(CC)C1)c1ccco1 1325887446 DTKKJUXBZDTXPM-JKSUJKDBSA-N 276.424 3.608 30 20 CHED N#Cc1ccnc(/C=C\c2cc(Cl)cc3c2OCC3)c1 1323546253 UBFLDTIBKGLFLL-UPHRSURJSA-N 282.730 3.712 30 20 CHED C=CC[C@H](NC[C@H](C)c1cccc(Cl)c1)C(=O)OCC 1320765788 DMJSFTCEZVTELA-WFASDCNBSA-N 295.810 3.541 30 20 CHED CC(C)[C@@H]1CCC[C@@H](Nc2cccc(CC#N)n2)C1 1320490597 NFSDOZFLPLPPRW-UKRRQHHQSA-N 257.381 3.774 30 20 CHED CSc1ccccc1C(C)=NOCC(F)(F)F 1339885367 NRODUYBKWHSIEU-UHFFFAOYSA-N 263.284 3.711 30 20 CHED CC(C)CNN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 1330648183 GIYNFPLFYSLMQZ-GHMZBOCLSA-N 250.308 3.587 30 20 CHED C=C(C)CCC(=O)N(CC(F)(F)F)c1ccccc1 1338454619 KTZKMVFPNRZTPL-UHFFFAOYSA-N 271.282 3.938 30 20 CHED O=C(CC1CCC1)N(O)Cc1cccc2ccccc12 1339281336 NSOOFJXUKOZGDF-UHFFFAOYSA-N 269.344 3.748 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1sccc1Cl 1339278858 ILDRGXOISOMNCC-SNVBAGLBSA-N 269.797 3.972 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cc3c(s2)CCCCC3)C1 1344605226 OAJATJCDUKUZRP-YPMHNXCESA-N 289.400 3.866 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C(C)=O)cc1F 1262654899 VULFLCHSPNNQFP-AWEZNQCLSA-N 289.350 3.599 30 20 CHED C=CCC[C@H](C)OC(=O)c1nc(C)ccc1Br 1343420770 HPQYESZIFDWFGQ-JTQLQIEISA-N 298.180 3.664 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(C)c(NC(C)=O)c1C 1348700821 GZQYGXDECGSCIB-UHFFFAOYSA-N 288.391 3.803 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)[C@@H](CC#N)c1ccccc1 1355755035 SDPKRRDXHAGUDD-YJBOKZPZSA-N 292.382 3.903 30 20 CHED Cc1cccc(C2(C(=O)O[C@H](CC#N)c3ccco3)CC2)c1 1518001975 QMHBUSBJZVJIRR-MRXNPFEDSA-N 295.338 3.818 30 20 CHED Cc1cc(C)c(CCNc2ncc(C#N)cc2F)c(C)c1 1458282069 RAFLILLLMINGCL-UHFFFAOYSA-N 283.350 3.672 30 20 CHED C=C(CC)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 1521550393 SISCFCBUUSPJGW-ZFWWWQNUSA-N 261.340 3.544 30 20 CHED CCCC[C@H](S[C@@H](C#N)c1ccccc1)C(=O)O 1605250613 MARRUIWSCZVGNS-STQMWFEESA-N 263.362 3.628 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc(C)cc(C#N)c1 1466839304 FTMVLFKIFKEEDI-DGCLKSJQSA-N 273.380 3.813 30 20 CHED CCC[C@@H](CC)C(=O)Nc1nc2cc(C#N)ccc2n1CC 1535719076 MJHJUOFACRWRRJ-CYBMUJFWSA-N 298.390 3.693 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2ccc(Cl)s2)c1 1602550081 OMICYMFOXWGDNV-IWQZZHSRSA-N 282.704 3.589 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@H](Cc2ccccc2)C1 1615640220 TWNSOSCRABPSPC-MJGOQNOKSA-N 276.383 3.816 30 20 CHED CC1(C)CC[C@H](Nc2ncc(C#N)cc2Br)C1 1559143178 MWSMKLSZHIUYGH-JTQLQIEISA-N 294.196 3.706 30 20 CHED Cc1cc(N2C[C@H](c3ccccc3C)C[C@@H]2C)c(C#N)cn1 1559114533 WSCJYJYBMLBOPV-JKSUJKDBSA-N 291.398 3.953 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](COC)CC(C)(C)C 1658800112 ZBRVRHOWQCEBTF-CQSZACIVSA-N 290.407 3.820 30 20 CHED N#Cc1ccc(CNCc2cccc3ncccc23)cc1F 1659458184 NOVMOZSVSPVGHL-UHFFFAOYSA-N 291.329 3.535 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)[C@@H]1CC1(C)C 1653107354 QJEBRHUZNPBQEM-ZFWWWQNUSA-N 260.356 3.612 30 20 CHED C[C@@H]1CCC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 230662568 OJOBSRZWAFWGOA-WWXIPJKBSA-N 268.404 3.636 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2c(C)cccc2C)C1 1776160804 LNHXZJFYJLLDAL-GOSISDBHSA-N 287.403 3.546 30 20 CHED C=CCC[C@@H]1CCC(=NNc2ccccc2C(=O)O)C1 1776031866 ATMCLYSHQJGKBK-GFCCVEGCSA-N 272.348 3.919 30 20 CHED O=C(O)c1cc(NN=Cc2coc3ccccc23)ccc1F 1776062357 PZHWHAVCEIODAI-UHFFFAOYSA-N 298.273 3.716 30 20 CHED C=CCC[C@H](C)N1CC[C@@H](c2ccccc2C(=O)O)C1 1776165872 JBTHZCXGDWHAPU-UONOGXRCSA-N 273.376 3.529 30 20 CHED C=Cc1ccc(C=NNc2ccc(F)c(C(=O)O)c2)cc1 1776064352 JXEDPMMSKYXIQF-UHFFFAOYSA-N 284.290 3.613 30 20 CHED Cc1cccc(NN=C2CC[C@H](CC(=O)O)[C@H]2C)c1Cl 1776106697 QZTFYTUAWGOTKX-GHMZBOCLSA-N 294.782 3.937 30 20 CHED N#Cc1cccc(-c2csc(NC(=O)c3ccoc3)n2)c1 161110391 YQGPEXHPUSALMQ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED N#Cc1cccc(OCc2nc(C(F)(F)F)cs2)c1 161722881 QZWPUNRPJXTFSE-UHFFFAOYSA-N 284.262 3.613 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ccccc1CCC(F)(F)F 162319260 GTRJQXDYVRVTDI-SNVBAGLBSA-N 299.296 3.605 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccccc1C(F)(F)F 152591209 DFFPUZQVUPKUFX-BQYQJAHWSA-N 294.276 3.818 30 20 CHED C=C(C)CN1CCC(N[C@@H]2c3ccccc3C[C@H]2C)CC1 152980798 JXRXORUMKDONNU-BEFAXECRSA-N 284.447 3.550 30 20 CHED Cc1ccc(OC[C@@H](C#N)CCC#N)c(Br)c1 153519974 SCJHKRRBUVVWTL-LLVKDONJSA-N 293.164 3.580 30 20 CHED CCCCCCCC(=O)N1CCc2cc(C#N)ccc21 841345091 UPFDPIXJYAVRGL-UHFFFAOYSA-N 270.376 3.808 30 20 CHED C[C@@H](CC(=O)N(C)c1ccccc1C#N)CC(C)(C)C 128662339 FDMNSQKTZRHOHG-ZDUSSCGKSA-N 272.392 3.983 30 20 CHED N#Cc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)o1 135136451 DMURAJNKMVLXEC-CQSZACIVSA-N 288.347 3.617 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1ccc(C#N)cc1F 252174098 OPSVUENCWMRTAL-BFQNTYOBSA-N 260.356 3.612 30 20 CHED Cc1cc(C#N)ccc1COc1ccc2[nH]ccc2c1 166403415 NBMFWJFLEIXDAD-UHFFFAOYSA-N 262.312 3.927 30 20 CHED N#Cc1cnc2ccccc2c1NC1CCCCC1 37507608 HNQIXFTWPIVLTO-UHFFFAOYSA-N 251.333 3.851 30 20 CHED Cc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 37748597 PZVVOPCYFQCDEY-AWEZNQCLSA-N 250.345 3.718 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1C 165233919 WANSNQARBQKSHA-WBVHZDCISA-N 256.393 3.925 30 20 CHED COc1ccc(Cl)c(NCc2cccc(C#N)c2)c1 43316412 LTAWQYPEFXTEAR-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cccc(NC(C)=O)c1 281706667 TUGVYUXNCXEZGO-DOMZBBRYSA-N 260.381 3.650 30 20 CHED CN(c1nc2c(cc1C#N)CCCC2)C1CCCCC1 49956952 SBCOWIKXPRKSJL-UHFFFAOYSA-N 269.392 3.601 30 20 CHED N#Cc1cc(Cl)ccc1NCc1ccc([N+](=O)[O-])cc1 52857175 GMTUOPNKZDYLBG-UHFFFAOYSA-N 287.706 3.732 30 20 CHED Cc1ccc(C#N)cc1NCc1cc(F)c(F)c(F)c1 62708742 JJGCMUCQOPSAGE-UHFFFAOYSA-N 276.261 3.896 30 20 CHED C[C@@H](c1ccccc1)N(C)c1cccc(F)c1C#N 301067728 KCXITKXGWDVPPY-LBPRGKRZSA-N 254.308 3.895 30 20 CHED C[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H]1C 301506278 ZZMLYIKYFDFARR-UWVGGRQHSA-N 268.282 3.812 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(Cl)cc2F)c1 308197725 NVLPPJDOOXPLFL-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1nc(C#N)cc(Sc2ccc(C(C)C)cc2)n1 308282423 PDIUEAJVPMSETG-UHFFFAOYSA-N 269.373 3.931 30 20 CHED C=CCOCCCN[C@H](C)c1ccc(Cl)cc1 459790315 YMXFKDJPWOXNCE-GFCCVEGCSA-N 253.773 3.583 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 404083826 QIGOJIXRYAMMHO-HNNXBMFYSA-N 260.356 3.708 30 20 CHED C=CCC(C)(C)CNC1CCN(C(=O)OC(C)(C)C)CC1 310187168 VZCUWILCEYCXRG-UHFFFAOYSA-N 296.455 3.578 30 20 CHED N#CCc1cccc(NC(=O)C2CCCCCC2)c1 313475825 ZNTISASDHUTTTC-UHFFFAOYSA-N 256.349 3.662 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC[C@@H]3CCC[C@@H]32)n1 614528967 UZSBDAGBEYXFGO-JSGCOSHPSA-N 269.392 3.630 30 20 CHED CCC[C@H](NCc1cc(C#N)ccc1F)C1CCC1 324961343 KFNOMOCLAZXVSI-INIZCTEOSA-N 260.356 3.756 30 20 CHED COc1cc(C#N)ccc1OCCSc1ccccc1 86472572 RKSMRWFWGBYGIB-UHFFFAOYSA-N 285.368 3.738 30 20 CHED C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1csnn1 398272261 BPPUKVAHFRZACR-SSDOTTSWSA-N 298.293 3.602 30 20 CHED C#CCN(Cc1ccccc1)Cc1nc2ccccc2s1 796633470 UYWHFCXOSQKPGW-UHFFFAOYSA-N 292.407 3.932 30 20 CHED CSc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1 10747428 VAMJECLQIVUYKV-UHFFFAOYSA-N 296.395 3.851 30 20 CHED C=CCNC(=O)CSCc1ccc(C(C)(C)C)cc1 57685582 DOYXXENOIUCNJJ-UHFFFAOYSA-N 277.433 3.520 30 20 CHED CC[C@@H](CC#N)NCc1cccc(Cl)c1Cl 54182068 BUZXWYLIBFSMDC-JTQLQIEISA-N 257.164 3.775 30 20 CHED Cc1cc(CN(C)[C@H](C)CC#N)c(O)c(C(C)(C)C)c1 103460848 ASDLZIMGVATNAT-CYBMUJFWSA-N 274.408 3.732 30 20 CHED CCCCCCCCNCc1cnc2c(c1)c(C)nn2C 107846461 NWKBNCUBLSVIAK-UHFFFAOYSA-N 288.439 3.727 30 20 CHED CCCCCCCC(=O)Nc1cnc(C2CC2)nc1 103018573 RGFWIACSWXEMHB-UHFFFAOYSA-N 261.369 3.653 30 20 CHED CCOc1ccccc1N[C@H](C#N)C1CCCCC1 115605896 SEZDQESMSVTDBC-OAHLLOKOSA-N 258.365 3.970 30 20 CHED C=CCCCC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 175425840 LVMNDXJTRGBHHW-WMZOPIPTSA-N 287.403 3.627 30 20 CHED N#CC1(NC(=O)CCc2cc(Cl)cs2)CCCCC1 172569469 KZZMTYNVBBRNKI-UHFFFAOYSA-N 296.823 3.677 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)CC(CC)CC 177666179 XTNAQDSZFOBYIM-UHFFFAOYSA-N 274.364 3.722 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 177022228 VAHMPIJWECZVCC-MLGOLLRUSA-N 288.416 3.873 30 20 CHED C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1cccs1 119563914 PCDMYMQOZFHWHC-VIFPVBQESA-N 274.320 3.501 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCc2cc(O)ccc21 60340068 PZYRKIWHIXIUFO-UKTHLTGXSA-N 295.294 3.513 30 20 CHED O=C1/C(=C\c2csnn2)CCCc2ccc(Cl)cc21 117107703 DZQWYRAXNUSJDJ-POHAHGRESA-N 290.775 3.794 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1Nc1ncccc1C#N 303233818 YQIMKPLOXRMEKX-UKRRQHHQSA-N 257.381 3.970 30 20 CHED N#C[C@H](NC(=O)CCC1CCCC1)c1ccccc1Cl 172030368 LMAIQKIKRAKXHS-HNNXBMFYSA-N 290.794 3.991 30 20 CHED CC(C)(CCC#N)CNCc1csc(C(C)(C)C)n1 343996784 YATWIQOKDILFLV-UHFFFAOYSA-N 279.453 3.860 30 20 CHED CC(C)(CNCc1ccc(C#N)s1)c1ccc(F)cc1 176962243 CDERAZDHPNLUMT-UHFFFAOYSA-N 288.391 3.826 30 20 CHED Cc1cccc(C)c1C[S@](=O)CCCC(C)(C)C#N 178105610 NOFOJTMLGYTSRN-LJQANCHMSA-N 277.433 3.882 30 20 CHED N#CC1(COC(=O)c2ccnc(-c3ccco3)c2)CCCC1 1343210827 XIBSVCNYAFWKRV-UHFFFAOYSA-N 296.326 3.582 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 1262810113 YCTFGZOQQRTOBK-MSOLQXFVSA-N 299.414 3.761 30 20 CHED Cc1ccc(Nc2cc(C#N)ccc2[N+](=O)[O-])cc1 302196097 DYIMXFSDLURZII-UHFFFAOYSA-N 253.261 3.519 30 20 CHED Cc1nn(C)c(Cl)c1CSc1ccccc1C#N 173712583 CXJABVFHJQUGCJ-UHFFFAOYSA-N 277.780 3.546 30 20 CHED C=CCCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 60365204 COYICFSXTSNFBV-HNNXBMFYSA-N 257.377 3.882 30 20 CHED N#Cc1ccc(OCc2sccc2Cl)cc1F 304495087 DFAFLNJYLIFFFX-UHFFFAOYSA-N 267.712 3.991 30 20 CHED COc1ccc(CCN[C@H](C)c2ccc(C#N)cc2)cc1F 174052614 JEHCVCAPYMKFTD-CYBMUJFWSA-N 298.361 3.599 30 20 CHED Cc1cc(C)nc(CN2CCCc3cc(C#N)ccc32)c1 1194692294 NYLZEDAOFVDEFV-UHFFFAOYSA-N 277.371 3.523 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@@H](c2ccc(F)cc2)C1 301550093 GLYWNMDSWBUAFY-CYBMUJFWSA-N 284.309 3.830 30 20 CHED CC(C)(NC(=O)c1cccc(CC#N)c1)c1cccc(F)c1 172547845 NSMKQZCBEJUBLK-UHFFFAOYSA-N 296.345 3.557 30 20 CHED C[C@H](NC(=O)NCCCCC#N)c1cccc2ccccc12 171413933 MYSIIPLNTRGENV-AWEZNQCLSA-N 295.386 3.894 30 20 CHED C#CCCCCC(=O)Nc1c(C)noc1-c1ccccc1 123892137 FFLQJTQZVZFPBQ-UHFFFAOYSA-N 282.343 3.782 30 20 CHED N#Cc1cncnc1Sc1cc(Cl)ccc1Cl 306081850 DJUSYYYDPORFJI-UHFFFAOYSA-N 282.155 3.806 30 20 CHED Cc1cc(F)ccc1C(=O)N(CCC#N)CCC(C)C 128928708 QCVGZERKCJUHJW-UHFFFAOYSA-N 276.355 3.536 30 20 CHED CN(C)[C@H](CNc1c(Cl)cccc1C#N)c1ccco1 301201194 MXZRASIGPXJXBG-CYBMUJFWSA-N 289.766 3.519 30 20 CHED CCn1c([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)nc2ccccc21 185885567 AQMIXOJHYDINMX-QLFBSQMISA-N 296.418 3.789 30 20 CHED CC(C)c1cccc(N/C(N)=N/Cc2ccc(F)cc2)c1 303697546 FTXWVTNHKQUJEC-UHFFFAOYSA-N 285.366 3.876 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)Cc1cccc(Cl)c1 120228227 NIADGUZOTSLUEE-STQMWFEESA-N 292.810 3.527 30 20 CHED C=CCCNc1ccc(Cl)cc1C(=O)N1CCCC1 77245255 QIEICGFIQKNZGD-UHFFFAOYSA-N 278.783 3.564 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1F 182641802 IEONVUKUOJOQDY-OLZOCXBDSA-N 263.356 3.790 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccccc2C#N)o1 121311021 WOOFCHYQXUPWEV-VQHVLOKHSA-N 251.285 3.610 30 20 CHED Cc1occc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 75297791 UXSPXUNUFSGKCP-DLBZAZTESA-N 294.354 3.500 30 20 CHED CCC(CC)c1cc(CN[C@@H]2CCC[C@H](C#N)C2)on1 185844450 KTLJKXPFAMEIOY-GXTWGEPZSA-N 275.396 3.750 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccccc2C)cc1 214176004 PIUDXFIVGJWTNM-XFXZXTDPSA-N 280.323 3.678 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccc(C#N)cc1 505320786 ZPEOQYBMRVWGIK-FRFSOERESA-N 299.418 3.887 30 20 CHED COc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1 181129808 FSDUULKOIPUWOV-ZDUSSCGKSA-N 282.343 3.598 30 20 CHED N#Cc1ccccc1OCc1cc(-c2ccc(F)cc2)no1 32322866 OXJAZAXZEBHDHP-UHFFFAOYSA-N 294.285 3.931 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(Cl)cc2Cl)cnn1C 210476606 MXUNKUKFUUTPOC-XQRVVYSFSA-N 295.169 3.931 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 182192623 HBZIISHTAQQGDL-PBHICJAKSA-N 284.403 3.760 30 20 CHED C=CCCCC(=O)NCc1cccc(CSC)c1 189503434 YZHVQUUXKWEEBW-UHFFFAOYSA-N 263.406 3.522 30 20 CHED C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1 154349025 DFRHCRWLVSOITL-UWVGGRQHSA-N 256.271 3.550 30 20 CHED CC(=O)Nc1ccc(C)c(N[C@H](C)c2ccc(C#N)cc2)c1 78998007 DLJLTTDJSIWBSN-CYBMUJFWSA-N 293.370 3.998 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(N)c1 35365011 KETRPLDOAYSHCY-UHFFFAOYSA-N 279.387 3.553 30 20 CHED C=CCCCCCN1CCO[C@H](c2ccccc2)C1 486786904 GFVVXRAOVCLKKX-KRWDZBQOSA-N 259.393 3.806 30 20 CHED CSCCCCCNC(=O)Nc1cccc(C#N)c1C 187617854 IFVMNCSJKHVMGJ-UHFFFAOYSA-N 291.420 3.522 30 20 CHED C=CCn1c(C)nnc1N1CCCC2(CCCCCC2)C1 508499269 YTOBIVZBRJOIAS-UHFFFAOYSA-N 288.439 3.713 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccsc1Cl 187887631 SHQFMPJHPBJVQF-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC1=CCCCC1 126183948 CIPIFHVRRPZZNO-UHFFFAOYSA-N 262.397 3.856 30 20 CHED CCN(C(=O)C[C@@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 186829993 NXCGHZQDLXWMJA-ZFWWWQNUSA-N 270.376 3.737 30 20 CHED CO[C@](C)(C1CC1)[C@@H](C)NCc1ccc(Cl)cc1C#N 411978524 ZCYOLGVDGWLZHJ-BZNIZROVSA-N 292.810 3.505 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCCC(F)(F)C2)cc1 491573065 QMJLETLVSWPVML-HNNXBMFYSA-N 278.346 3.863 30 20 CHED N#CCN(C(=O)CCSc1ccccc1)c1ccccc1 72680039 SPVLZFFBHMSGCR-UHFFFAOYSA-N 296.395 3.726 30 20 CHED C[C@H](C#N)OCCNc1ccc(Oc2ccccc2)cc1 314200069 MDJCILYBHHJFDY-CQSZACIVSA-N 282.343 3.819 30 20 CHED C=C(C)CN(CC)Cc1nc(C(F)(F)F)cs1 131317181 DMVGXJHZPVBTIR-UHFFFAOYSA-N 264.316 3.560 30 20 CHED CCOC1CC(COc2cc(C)c(C#N)c(C)c2C)C1 506415636 JYOUJYPIXWDIMK-UHFFFAOYSA-N 273.376 3.677 30 20 CHED CC[C@H](C)CC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 189983251 QEIRBNNFHHWDKR-KBPBESRZSA-N 272.392 3.904 30 20 CHED CC(C)[C@H]1CCCN1C(=O)c1cccc(SCC#N)c1 79536668 HYADZEUKLTVWBE-OAHLLOKOSA-N 288.416 3.563 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccc(Oc2ccccc2)cc1 45851762 RSWMDYUCHCMHGY-AWEZNQCLSA-N 294.354 3.711 30 20 CHED Cc1nn(-c2ccccc2)cc1N[C@H]1CCC[C@@H](C#N)C1 185895418 JSDCHMSXINFEDF-CABCVRRESA-N 280.375 3.675 30 20 CHED CCN(CCc1cncs1)[C@H](C)c1ccc(C#N)cc1 411184654 FVQXQRUVMVTWDU-CYBMUJFWSA-N 285.416 3.640 30 20 CHED CC(C)Cc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 41493484 VIEXHQCIWPXPPL-INIZCTEOSA-N 278.355 3.770 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1CC[C@@H](C)C1 189912788 JMZILETXGYEYCU-ZIAGYGMSSA-N 264.413 3.744 30 20 CHED CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H](C#N)C1 185811685 VBNWAMFUTVIBDB-GVDBMIGSSA-N 256.393 3.680 30 20 CHED Cc1ncsc1CCSc1ccc(C#N)cc1F 505511457 DNXOSVVWQWZNEH-UHFFFAOYSA-N 278.377 3.797 30 20 CHED COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(C)cc1 130281916 MEIJMPYUMRQDQO-AWEZNQCLSA-N 280.371 3.726 30 20 CHED CC[C@@H]1c2ccsc2CCN1C(=O)C(C#N)(CC)CC 602246577 QJOOCJKAVXTHDC-CYBMUJFWSA-N 290.432 3.914 30 20 CHED O=C(/C=C/c1ccc(F)cc1Cl)c1cncc(F)c1 130083800 PESVPZAEQATVLA-DUXPYHPUSA-N 279.673 3.909 30 20 CHED CC(C)c1ccc(C(=O)NCc2cccc(C#N)c2)cc1 45213399 XJYVQWBDHLSRNJ-UHFFFAOYSA-N 278.355 3.612 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/[C@@H]2CCCc3sccc32)CC(O)=N1 329886744 WNQQRMQCCOVDBY-JFGNBEQYSA-N 292.404 3.837 30 20 CHED Cc1ccccc1[C@@H](C)NCc1ccc(C#N)s1 135667834 WSORZKSBFCVGCI-GFCCVEGCSA-N 256.374 3.779 30 20 CHED Cc1cccc(C(=O)Nc2ccc(C#N)c(C#N)c2)c1Cl 229674504 PKQOECYZFQZTMC-UHFFFAOYSA-N 295.729 3.644 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc2cc(OC)ccc2c1 320402899 PDPWVRRWDRNPGM-RDTXWAMCSA-N 299.414 3.826 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cccc(-c2ccoc2)c1 89968243 DPYNYLSBIAFKIJ-HNNXBMFYSA-N 269.300 3.652 30 20 CHED Cc1cccnc1[C@@H](NCCC(C)(C)C#N)C(C)C 131876538 PJQNSNRAANDTJU-AWEZNQCLSA-N 259.397 3.617 30 20 CHED Cc1cc(N2CC[C@H](c3c(F)cccc3F)C2)c(C#N)cn1 425245097 TXLWBDOBXBJZOC-LBPRGKRZSA-N 299.324 3.534 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(C)(C)C1CC1 425632964 DVOJYJJFTLWYAB-LBPRGKRZSA-N 270.376 3.514 30 20 CHED Cc1ccc(OC(F)F)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 424330391 QLYYDVANZIGAOZ-FRRDWIJNSA-N 294.345 3.939 30 20 CHED CC(C)CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 193058429 BGCRZRJOWAKCKS-UHFFFAOYSA-N 273.380 3.655 30 20 CHED CC(C)c1cnc(SCc2cc(F)ccc2C#N)n1C 131268961 KHMRXSNVUQLHQT-UHFFFAOYSA-N 289.379 3.847 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 42924778 NFHOMSAMVJYAQH-HNNXBMFYSA-N 276.355 3.542 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(Cl)cc1OC 421839659 YEGOTDLNFNJAGX-GFCCVEGCSA-N 283.799 3.592 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421551946 AXQRBEUVFZSMQW-ZFWWWQNUSA-N 295.386 3.893 30 20 CHED CC1CCN(CCSc2cccc(F)c2C#N)CC1 519579928 LGWRDBLBVHQKSP-UHFFFAOYSA-N 278.396 3.521 30 20 CHED N#Cc1csc(CN[C@@H]2CSc3ccccc32)c1 334173820 CDFGEHRICNINDJ-CYBMUJFWSA-N 272.398 3.556 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@H](C)CC(C)C 512195423 NHMZLLRBBJNRNN-OAHLLOKOSA-N 279.424 3.832 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CC 424653228 SDPJXKUWLGALQK-ZDUSSCGKSA-N 299.418 3.836 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](NCC1(C#N)CCC1)CC3 333642097 UMIFHCHMJYCFHW-CQSZACIVSA-N 293.414 3.617 30 20 CHED C[C@H](CC#N)N(C)Cc1cnc(-c2cccs2)s1 93090883 UOAWZLUEWBMGLT-SNVBAGLBSA-N 277.418 3.606 30 20 CHED N#CCCCN1CCCc2c1cccc2C(F)(F)F 425556375 SVZCHDLEICEDTL-UHFFFAOYSA-N 268.282 3.762 30 20 CHED N#C[C@H]1CC[C@@H](NCc2csc3ccccc23)C1 336611816 UFIBELWEVNYEHJ-WCQYABFASA-N 256.374 3.683 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCCSC2)n1 613427197 UXOMRRLPGHYHOB-LBPRGKRZSA-N 275.421 3.558 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H]1CC(C)C 432563853 WOTZRXCZFZEQLB-AWEZNQCLSA-N 266.429 3.809 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 334909445 UNCNKCWPALEXNI-CUYAVPTFSA-N 293.414 3.998 30 20 CHED N#CCc1ccccc1NC(=O)c1cc(C#N)ccc1Cl 334444900 HZDJCTNMRDRZDL-UHFFFAOYSA-N 295.729 3.530 30 20 CHED C[C@H]1CN(C(=O)CC(C)(C)C#N)CC[C@H]1c1ccccc1 336557346 KWKOVRAZYSDMIA-GOEBONIOSA-N 284.403 3.578 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1Cl)C(C)C 439441963 QYAJVSROGHRZRH-UHFFFAOYSA-N 250.773 3.830 30 20 CHED CC(C)(C#N)C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 334808897 WDXVPCOFUZMPAE-TZMCWYRMSA-N 290.794 3.642 30 20 CHED Cc1cc(Oc2snc(Cl)c2C#N)ccc1[N+](=O)[O-] 92583389 NZKATGGXENOWEB-UHFFFAOYSA-N 295.707 3.677 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1nc(Cl)c(C#N)s1 235325210 WGVJZNGVMVEJBP-HRDYMLBCSA-N 269.801 3.905 30 20 CHED N#Cc1ccc(CN2[C@H]3CCC[C@H]2CC3)c(OC(F)F)c1 437617025 UWCBMDLMBOZDOU-KBPBESRZSA-N 292.329 3.677 30 20 CHED C=CCN(CCC1CCOCC1)Cc1ccccc1F 432928265 LYTVUZTZMQVLEK-UHFFFAOYSA-N 277.383 3.630 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccc(F)cc2nc1C 341629519 KDJRVBHSFHNIFR-CQSZACIVSA-N 286.350 3.767 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1ccccc1C 432568260 SGOPRJOSLOWIIR-UHFFFAOYSA-N 274.408 3.739 30 20 CHED COc1cccc([C@@H]2CCCN2c2cc(C)nc(C#N)c2)c1 341416761 ICNOWHYOBTWWSL-SFHVURJKSA-N 293.370 3.612 30 20 CHED CCS[C@H]1CCC[C@@H](Nc2cc(C#N)cc(C)n2)C1 342818269 VLTQCVHROMZZBG-KGLIPLIRSA-N 275.421 3.738 30 20 CHED C=CCOCCCN(CC)[C@H](C)c1ccc(C#N)cc1 347968980 SHMMPUDJWVZFCY-OAHLLOKOSA-N 272.392 3.534 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)cccc1CC 435742621 WEJDZPNBBDMRPN-WMLDXEAASA-N 293.838 3.973 30 20 CHED CC1(C)C[C@@H](NCc2ccc(C#N)cc2Cl)C(C)(C)O1 439430997 OHVSZHZQQIZDOW-CQSZACIVSA-N 292.810 3.647 30 20 CHED CCOCCCSCc1ccc(C#N)cc1Cl 438877715 WYBMCMZWQGEJFP-UHFFFAOYSA-N 269.797 3.871 30 20 CHED O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cc[nH]c1 344778629 VGCSNGKLWHEZQA-UHFFFAOYSA-N 286.334 3.667 30 20 CHED COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CCC2 344709268 RWFIDOVPMBABSD-KRWDZBQOSA-N 298.411 3.796 30 20 CHED CSC1CCN(CC#Cc2cccc(Cl)c2)CC1 602922303 GYFLFSNIUDYUCW-UHFFFAOYSA-N 279.836 3.519 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@H](C)CCC 521113015 UWMJEEKVTHOVRM-CQSZACIVSA-N 275.392 3.694 30 20 CHED C=CCCC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 602579370 AEWSXTYYSHNDRK-LLVKDONJSA-N 289.335 3.570 30 20 CHED Cc1ccc(Br)c(CNC[C@@H](C)CCC#N)c1 602688905 FQGSKTVKRLUECS-LBPRGKRZSA-N 295.224 3.787 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)o2)n1 341178326 VDUKQITXXOBWOW-ZYHUDNBSSA-N 271.320 3.885 30 20 CHED CC1(C)CN(c2ccc(C#N)cc2C(F)(F)F)CCCO1 609964244 ZTVOTCZIKLPWSF-UHFFFAOYSA-N 298.308 3.582 30 20 CHED CCN(CCN1CCCCCC1)[C@H](C)c1ccc(C#N)cc1 438990863 KYSKAJGNXWWGMO-QGZVFWFLSA-N 299.462 3.817 30 20 CHED C=C(CNC(=O)c1csc(C(C)C)n1)c1ccccc1 345731017 RFRXXLWGLHFUMP-UHFFFAOYSA-N 286.400 3.710 30 20 CHED Cc1nc2ccccc2nc1NCC(C)(C)CCC#N 340896115 KYCVCXALTPUWIV-UHFFFAOYSA-N 268.364 3.680 30 20 CHED CCCCc1ccc(C2=NN(C[C@H](C)C#N)C(=O)CC2)cc1 601933686 FWQOGODJEMYGPS-CQSZACIVSA-N 297.402 3.515 30 20 CHED C=CC[C@H](C)NC(=O)NCC1(c2ccc(F)cc2)CCC1 342522248 HSZDJZQEHVYLGK-ZDUSSCGKSA-N 290.382 3.511 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1NCCCSCC#N 436266144 ZPIKZALZAVDZIA-HZPDHXFCSA-N 298.496 3.597 30 20 CHED C=CCn1c(C)cc(C(=O)CN(C)C(C)(C)CC)c1C 348328510 LANXYFNCLLAEIC-UHFFFAOYSA-N 276.424 3.594 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCc1nc(C(C)C)c(C)s1 341508521 FLGIVZJGICENDW-LLVKDONJSA-N 280.437 3.793 30 20 CHED N#Cc1ccc(CN2CCC3(CCSCC3)CC2)s1 602734954 IQMYXGJWSSCVKO-UHFFFAOYSA-N 292.473 3.729 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)/C=C\Sc2ccccc2)C1 255501757 YJTZEXLWDBTIMJ-WACGGTQYSA-N 273.357 3.528 30 20 CHED C=C(C)[C@H](N[C@@H]1CSC[C@@H]1C)c1ccc(F)c(F)c1 449252192 UGDBCTFQQHFVLJ-VQISRLSMSA-N 283.387 3.923 30 20 CHED COCCC1(CNCc2ccc(C#N)c(C)c2)CCCC1 443994954 FXNBPIVPZLTZNM-UHFFFAOYSA-N 286.419 3.553 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ncsc2C(C)C)n1 355116555 GXCCXCDERYOYCO-VIFPVBQESA-N 291.401 3.522 30 20 CHED Cc1cc(Cn2ccc(-c3ccccc3)n2)ccc1C#N 447313192 ANEJNJBUPPSCQR-UHFFFAOYSA-N 273.339 3.779 30 20 CHED CCSc1ccc(Cl)cc1C(=O)NCC(C)(C)C#N 359650614 OIUDYUOGOUXYTN-UHFFFAOYSA-N 296.823 3.732 30 20 CHED C=C[C@H]1CCCCN1Cc1ccnn1C1CCCC1 449286514 HTPYDGAAGKXLDB-AWEZNQCLSA-N 259.397 3.539 30 20 CHED C=CC1CCN(CC#Cc2cccc(Cl)c2)CC1 447037849 CPEYBOJEZZSGAK-UHFFFAOYSA-N 259.780 3.590 30 20 CHED C=CCC1(NC/C=C\c2ccncc2)CCCCC1 449575379 MCMMBSFQYIYTDI-SREVYHEPSA-N 256.393 3.963 30 20 CHED CCC1(CC)CCN(C(=O)Nc2ccc(F)cc2C#N)C1 447067086 MPZMCQBVZYMLRR-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=CCC[C@H](O)CN[C@H](CC)C(C)(C)c1ccccc1 537223753 HSDIEQZVBFPVCY-DLBZAZTESA-N 275.436 3.660 30 20 CHED N#CCCCC(=O)Nc1nc(-c2cccc(F)c2)cs1 359924562 NSFDURAUIFPUCW-UHFFFAOYSA-N 289.335 3.582 30 20 CHED C=CCN(CCC#N)C(=O)C1(c2cccc(C)c2)CCCC1 359420373 AVCLMFKUDASNJB-UHFFFAOYSA-N 296.414 3.735 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(-c2cc(C#N)cs2)n1 356570757 BYFSTKBIHIBSBS-GXSJLCMTSA-N 273.361 3.963 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 359080390 QDKCEASGXRJWEH-WBVHZDCISA-N 291.366 3.518 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 357156290 YRKKTUUEOABCCJ-IAGOWNOFSA-N 282.387 3.641 30 20 CHED COc1cc(C#N)ccc1CN1CCCC2(CCCC2)C1 445872448 VEOWKLDMNJZTKZ-UHFFFAOYSA-N 284.403 3.723 30 20 CHED C=CC(C)(C)CNCc1cccc(OCc2ccccn2)c1 449486211 RBGCCEABIVBHHD-UHFFFAOYSA-N 296.414 3.962 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccc(C#N)c(F)c2)c1 444736586 AFNHXUWVTNSHDK-UHFFFAOYSA-N 286.325 3.777 30 20 CHED COc1cc(O)ccc1/C=C1\C(=O)c2ccccc2[C@@H]1C 1346995764 JQKRGUNPGOWQCR-RCEBRVLHSA-N 280.323 3.784 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCOc1cccc(C)c1 538335304 GLVYHYUEYFVRSX-OAHLLOKOSA-N 275.392 3.625 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H](C[C@H]2CCOC2)C1 614407142 GOYYZZGPJZCHCY-ZWKOTPCHSA-N 298.430 3.505 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1N=c1c(C#N)c[nH]c2ccccc12 610280210 HAZWYZZXGKNMMU-QUCCMNQESA-N 299.377 3.670 30 20 CHED C=CC(C)(C)c1nc(C2(c3cccc(OC)c3)CC2)no1 453187643 ZBIOAUBKXQHZQC-UHFFFAOYSA-N 284.359 3.622 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](C)OCC(C)C)c1ccccc1 532939895 OXGAUUVUWCCJIV-NVXWUHKLSA-N 289.419 3.871 30 20 CHED C[C@H](S[C@H](C#N)Cc1ccccc1)C(=O)OC(C)(C)C 619466363 UYVLJRJXWHMIHM-JSGCOSHPSA-N 291.416 3.585 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)C2[C@@H]3CCC[C@@H]23)cc1C#N 452686710 RZCXGZXBAFJQEF-ZIAGYGMSSA-N 298.386 3.720 30 20 CHED C=CCC[C@H](CO)N[C@@H]1CCSc2c(Cl)cccc21 453370617 UJGMRTWWYUEVTL-BXUZGUMPSA-N 297.851 3.794 30 20 CHED CCN(CCC#N)C(=O)[C@@H](C)c1ccccc1C(F)(F)F 610387310 AIFBISYHDMHPLA-NSHDSACASA-N 298.308 3.571 30 20 CHED C=CCC1(NC(=O)[C@H]2CCCCS2)CCCCC1 456361152 FKFZOIUCLFMECY-CYBMUJFWSA-N 267.438 3.667 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)nc1 361309924 QUVKPDWQPHZIMR-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CCc1ccccc1C(=O)N[C@@H](C)c1cccc(C#N)c1 610900203 SPGVIGAADWZCNZ-ZDUSSCGKSA-N 278.355 3.612 30 20 CHED C=C(C)CCNC(=O)Nc1cc2[nH]ccc2cc1C 455214569 AUPAHNPWGBTUFD-UHFFFAOYSA-N 257.337 3.564 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(Sc2ccccn2)cc1 362616364 VWLRIWWIIINKJY-LBPRGKRZSA-N 284.384 3.537 30 20 CHED C=C(C)CCNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 452717035 KKIPNBAUOGTCLZ-LLVKDONJSA-N 285.309 3.891 30 20 CHED CSC1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CC1 360885464 SEHVEYAWAAGEJL-MRXNPFEDSA-N 286.444 3.811 30 20 CHED Cc1cccc2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)oc12 277927819 NOEXFFMBEGVPBB-HNNXBMFYSA-N 296.370 3.896 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCC1(F)F 452312254 NAYYDVNQXJZADM-AAEUAGOBSA-N 259.340 3.530 30 20 CHED CC(C)(C#N)CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 611689874 SRIOREQMOJCBAX-DLBZAZTESA-N 292.382 3.609 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)CCc2cccs2)c1 455963004 AWAQLUZNQMGCDL-UHFFFAOYSA-N 299.399 3.635 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(N2CCCCC2)CC1 275021019 PTELYIJBUJQAOO-MRXNPFEDSA-N 297.446 3.570 30 20 CHED CC#CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 456030123 KTJMEQUZAHZWGY-NWDGAFQWSA-N 296.197 3.579 30 20 CHED Cc1nc(S[C@@H]2CC[C@@H](C#N)C2)n(CC(C)C)c1C 278610211 RQMLWJUCCVQHLE-ZIAGYGMSSA-N 277.437 3.940 30 20 CHED Cc1cc(OCC(=O)C2CCC(F)(F)CC2)ccc1C#N 277616523 YMYSLFMKOWGRDY-UHFFFAOYSA-N 293.313 3.640 30 20 CHED C[C@@H](NC1Cc2ccccc2C1)c1ccc(C#N)c(F)c1 273877849 QFSPQNDOTQJIMD-GFCCVEGCSA-N 280.346 3.515 30 20 CHED C[C@@H]1C[C@@H](NCCCCC#N)c2ccsc2S1 361114001 PVZMMOWPLZVYAQ-ZYHUDNBSSA-N 266.435 3.957 30 20 CHED C=C(C)[C@H](NC(=O)CSC(C)C)c1ccc(F)c(F)c1 547500655 JVFOQMNTNRZWES-HNNXBMFYSA-N 299.386 3.840 30 20 CHED CO[C@@](C)(CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 453313098 DHGMPGBNACCSSJ-KXBFYZLASA-N 294.398 3.771 30 20 CHED N#Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)C2CC2)n1 450222635 FGZWDGAVIBDNHC-CQSZACIVSA-N 284.750 3.565 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)s1 545641293 VWBYEQDZDBQNSZ-UHFFFAOYSA-N 292.323 3.818 30 20 CHED CC(C)(C#N)CCN1CC[C@H](c2ccccc2F)C1 271998967 GWVIAJLGFYBKEF-ZDUSSCGKSA-N 260.356 3.555 30 20 CHED C=CCC[C@H](C)NC1CCC(C(=O)OC(C)(C)C)CC1 542704816 FJAMBDQJYLPPBG-NFOMZHRRSA-N 281.440 3.831 30 20 CHED CC(C)(C)CN=c1c(C#N)c[nH]c2ccc(Cl)cc12 462377834 BLFDROGUUISYRT-UHFFFAOYSA-N 273.767 3.640 30 20 CHED N#Cc1csc(C(=O)N2CCCC[C@@H]2c2ccccc2)c1 273831781 DUGTZZBTOZYSOQ-OAHLLOKOSA-N 296.395 3.987 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(Cl)c1 466397024 BOQIGNGEDAGGLY-JTQLQIEISA-N 282.771 3.825 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](OCC)C1CC1)c1ccccc1 626216525 WBQNDWALWPSMJZ-IRXDYDNUSA-N 287.403 3.625 30 20 CHED CC(C)c1scnc1NC(=O)[C@H](C)c1cccc(C#N)c1 464579707 WDLVQSKZGCKBGD-LLVKDONJSA-N 299.399 3.880 30 20 CHED C=CCCN(C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 276436867 ODNTZVKVUFOXAQ-OAHLLOKOSA-N 288.435 3.953 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1C[C@H](c2ccccc2)C1 546581504 ZUADBRQRDRWABC-JYJNAYRXSA-N 272.392 3.587 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cccc2cc[nH]c12 466785647 CCLWUWVEQXCHGO-ZDUSSCGKSA-N 285.391 3.712 30 20 CHED C=CCC[C@H](NC(=O)C[C@H]1CCC(=O)[C@H]1C)c1ccccc1 281104149 GZAHSSDAPWXHJZ-UAGQMJEPSA-N 299.414 3.815 30 20 CHED C[C@H]1CCC[C@H](C)N(Cc2ccc(F)c(C#N)c2)C1 468275273 XHXYPJRQZDARJP-STQMWFEESA-N 260.356 3.708 30 20 CHED CCOC1CC(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 377133146 ZNGQNRJDHODWQD-AWRGBYNESA-N 298.430 3.573 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 467341925 QKUHXKNHELTDMV-NUEKZKHPSA-N 261.409 3.840 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CCOCc1ccccc1 464846399 AVYYGNLYQQASMQ-MRXNPFEDSA-N 294.398 3.768 30 20 CHED C=CCCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 285699620 VUGWVNPXIFBABX-ZDUSSCGKSA-N 274.191 3.583 30 20 CHED Cc1ccc([C@H]2CCN(c3snc(C)c3C#N)C2)c(C)c1 557676658 WMLJBHSYMDWOOW-AWEZNQCLSA-N 297.427 3.934 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2cc(OCC)ccc2C1 467971484 USTKHAHEKWORBR-SFHVURJKSA-N 287.403 3.572 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(F)ccc1F 280737693 WMPUVFMTJCSVEX-WQGACYEGSA-N 281.346 3.597 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)CCCC1CCCCC1 464705429 HXXBISBZKOPZQT-CQSZACIVSA-N 264.413 3.791 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2ccc(C(C)C)cc2)no1 288973846 MBPXKKSEXKPRQD-QGZVFWFLSA-N 283.375 3.975 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C#N)s2)C1 553675345 XINQILGJLOOHIS-SWLSCSKDSA-N 296.395 3.843 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cc(OC)ncc1F 558254360 CALOVSFSYUWXCC-NEPJUHHUSA-N 266.360 3.625 30 20 CHED C=CCCCCNC(=O)[C@@H](C)OC1CCCCCC1 471667498 JZYRAJURXSBROE-CQSZACIVSA-N 267.413 3.587 30 20 CHED C=CCCCCNC(=O)c1cccc2ccc(C)nc12 471689386 QZHTUOWUKQKCJH-UHFFFAOYSA-N 268.360 3.629 30 20 CHED N#CCCCCCC(=O)O[C@H]1CCOc2ccccc21 805903532 GPFBDPZFSNERSR-HNNXBMFYSA-N 273.332 3.527 30 20 CHED C=CCC[C@@H](O)CN(CCC)[C@@H](C)c1ccccc1OC 472795708 RTPKNCGSPCNFCU-JKSUJKDBSA-N 291.435 3.795 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1nc2ccccc2n1C 805890028 YEIIPUQRDRPNOC-ZDUSSCGKSA-N 299.374 3.652 30 20 CHED C#C[C@@H](NCc1ccc(C)cc1-c1cnn(C)c1)C(C)(C)C 809782250 MIWVJNROMPXNJS-GOSISDBHSA-N 295.430 3.533 30 20 CHED CC(C)(CCC#N)CNC(=S)Nc1ccc(F)cc1F 806597245 GKEYVIPVKITNFY-UHFFFAOYSA-N 297.374 3.581 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 293406782 FVWLOWWABJXGKM-GFCCVEGCSA-N 283.371 3.696 30 20 CHED C[C@H](C=NNc1ncnc2sccc12)C(C)(C)C 800807837 AAXAESOHSSPNGA-SECBINFHSA-N 262.382 3.771 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1nccnc1C1CCC1 807992045 YMPRPXYSOGBJGR-NSHDSACASA-N 272.396 3.968 30 20 CHED C#C[C@@H](NC/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)(C)C 809781305 OKLFZVGZNBXUGL-IVOILVROSA-N 286.375 3.636 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2CCCCC2(F)F)c1 295010710 SWZCZFQIQUNSSA-CQSZACIVSA-N 292.329 3.998 30 20 CHED C[C@@H]1CCCC[C@@H]1Cn1cc(C#N)c(=O)c2ccccc21 569140751 NGOHRYNYQHJSOK-ZIAGYGMSSA-N 280.371 3.699 30 20 CHED C[C@@H](N[C@@H](CO)CCC(C)(C)C)c1ccc(C#N)c(F)c1 479522597 NXIYRXNMDXPZRH-IUODEOHRSA-N 292.398 3.535 30 20 CHED c1ccc2c(c1)C[C@@H]1CCC[C@H](C2)C1=NOC1CCOCC1 807985320 DYXBPHBINVSPJK-CALCHBBNSA-N 299.414 3.753 30 20 CHED C=CCOCCCN1CC[C@@H](c2ccc(Cl)cc2)C1 470778210 CRKWVRALXRRYOO-OAHLLOKOSA-N 279.811 3.722 30 20 CHED C=CC[C@H](CC)N[C@H](C)Cc1ccc(OC)c(OC)c1C 560536269 JVOLVIIKEGZDKK-CJNGLKHVSA-N 291.435 3.888 30 20 CHED Cn1c(NN=C2CCC[C@@H]2CCCF)nc2ccccc21 800810300 KXFBQNVCVJJEJA-GFCCVEGCSA-N 288.370 3.891 30 20 CHED C=CCOc1ccccc1C(=O)N(CC)CC1CCC1 478276284 GQASGAKWICYTAS-UHFFFAOYSA-N 273.376 3.514 30 20 CHED CCCCCCCCN1CC[C@@H](N2CCCC2)[C@H]1C 805767784 HFRSJDVYLVRZCT-IAGOWNOFSA-N 266.473 3.906 30 20 CHED C=CCC1(c2nc(Cc3cncs3)no2)CCCCC1 562772085 HBMHHXQPBIXBLM-UHFFFAOYSA-N 289.404 3.895 30 20 CHED CC(C)OCCON=Cc1cccc2ccccc12 812240359 MSADUSMJEWBQHC-UHFFFAOYSA-N 257.333 3.615 30 20 CHED CC/C(=C\C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(C)cc1 819631934 HELAVFSNEQCFSG-WDXJWWLUSA-N 282.387 3.597 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1cccc(F)c1 815310657 GAINPJYXCFEZMS-VIFPVBQESA-N 258.239 3.641 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCCSC1 810771056 RXIKPJVHBHHSTH-AWEZNQCLSA-N 269.454 3.772 30 20 CHED COc1cccc(C=NOC/C=C/Cl)c1OC(C)C 811669985 LTXUMYQKOWRYGM-LLDVEVIQSA-N 283.755 3.585 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 812006962 GYTDDQVLXPJTKI-CABCVRRESA-N 290.382 3.624 30 20 CHED CC(C)Cc1ccc(C=NNC[C@H]2CCSC2)cc1 811657605 BPXNLLPRRZXPOV-MRXNPFEDSA-N 276.449 3.562 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@H](c2ccccc2)C1)C(C)(C)C 814336532 WHKUFCRRNSXRMP-DLBZAZTESA-N 298.430 3.624 30 20 CHED N#CCCCC(=O)OCCn1ccc2cc(Cl)ccc21 812615872 QQFIZOFTXMUXND-UHFFFAOYSA-N 290.750 3.532 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](c1cccs1)C1CC1)C(C)(C)C 811998343 WORUADQPLGOULJ-ZIAGYGMSSA-N 290.432 3.546 30 20 CHED Clc1cncnc1NN=C1CC[C@H](c2ccccc2)C1 814909378 KKBKZRGMZDAJBT-LBPRGKRZSA-N 286.766 3.866 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cnn(-c3ccc(Cl)cc3)c2)C1 579340893 VXAMDNSWFQQJGM-DGCLKSJQSA-N 286.766 3.630 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1CCCCC 815831121 ZDUSJEGBPJDVFM-LBPRGKRZSA-N 259.340 3.769 30 20 CHED C#Cc1ccccc1CC(=O)OCc1ccc(SC)cc1 811257228 FCSLABQLSUKTGM-UHFFFAOYSA-N 296.391 3.676 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2cccc(C(=O)O)c2)CS1 814687712 RZTQACBRSNBTRK-ZDUSSCGKSA-N 292.404 3.704 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1CC2CCC1CC2 816016757 ZQVFFJAOWLTNFV-PPWQZUPISA-N 298.386 3.742 30 20 CHED Cc1cc(C=NNc2nnc(-c3ccccc3)s2)c(C)o1 814947465 SVTZZUPKUGNLNU-UHFFFAOYSA-N 298.371 3.861 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc([C@H](C)CC)cc1 814136305 ADFTYXVOAZILQQ-CQSZACIVSA-N 270.376 3.742 30 20 CHED CCC[C@@H](/N=C\c1ccccc1O)c1ccccn1 729150382 UXZPFCRMVIYKNZ-IIMQCXAKSA-N 254.333 3.748 30 20 CHED C#CCON=C1CCCc2c1sc1ccccc21 812233933 IXABDMJLULZENO-UHFFFAOYSA-N 255.342 3.592 30 20 CHED CC(C)(C)c1cnc(C=NNC2CCCCC2)s1 814910543 ZQPPGDGIPGMVRL-UHFFFAOYSA-N 265.426 3.697 30 20 CHED CC1(CNN=Cc2cccc(C(=O)O)c2Cl)CCCC1 814938278 YRHMOGVHQZRANW-UHFFFAOYSA-N 294.782 3.542 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1nc2ccccc2nc1C 821445092 WPEPHGNTKIQPLB-UHFFFAOYSA-N 284.359 3.584 30 20 CHED C[C@@]1(CSc2ccc(C#N)cn2)CC1(Cl)Cl 829006113 MFLBWJHTOHFOKF-JTQLQIEISA-N 273.188 3.629 30 20 CHED CC#CCCNC(=O)CCCSc1ccc(Cl)cc1 498602851 MHKWUUWNSQLFJL-UHFFFAOYSA-N 295.835 3.742 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)cn1 728811389 WHEWNUZAFSGGCD-LBPRGKRZSA-N 298.773 3.550 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@H](C2CCC2)C1 666448784 ONXOYWHOUIYZIJ-HNNXBMFYSA-N 288.439 3.604 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N(C)[C@H](C)C1CC1 577427119 WGGFWYZQVYMGFG-CQSZACIVSA-N 296.418 3.674 30 20 CHED C=CCCNC(=O)Nc1ccc(COC(C)(C)C)cc1 666288980 UPEMQCLEXXTGTK-UHFFFAOYSA-N 276.380 3.699 30 20 CHED CC(Cc1ccsc1)=NNc1nc2ccccc2n1C 729637869 WFISNTADCIZYJJ-UHFFFAOYSA-N 284.388 3.665 30 20 CHED C=CCCNC(=O)N1CC2(CCCC2)c2ccccc21 665946768 WAURXBMOYDSVMI-UHFFFAOYSA-N 270.376 3.604 30 20 CHED Cc1ccc(C)c(CC(=O)Nc2ccccc2CC#N)c1 584126770 XJNYNTVZONFAHE-UHFFFAOYSA-N 278.355 3.551 30 20 CHED C=CC(C)(C)CNCc1ccc(OC)c(COCC)c1 824783671 SMXCCJIDPKWUPP-UHFFFAOYSA-N 277.408 3.534 30 20 CHED C[C@@H]1CCC[C@H]1CN[C@@H]1CCc2ccc(C#N)cc21 582032339 DLJCMYLYUADWTN-ISTRZQFTSA-N 254.377 3.571 30 20 CHED Cc1cc(NC(=O)CCCCCC#N)n(-c2ccccc2)n1 588834584 VMDALGHWFRQEHP-UHFFFAOYSA-N 296.374 3.593 30 20 CHED C=CCCCCCCNc1ncc(C(F)F)cn1 828201809 NKQUGXKTMVJGFA-UHFFFAOYSA-N 255.312 3.963 30 20 CHED CC(=NNc1ccc(Cl)cc1C)c1cc(C)n(C)n1 905506066 HFZBHQZFJFTFBZ-UHFFFAOYSA-N 276.771 3.526 30 20 CHED C=CCOc1ccccc1C(=O)NC1CCCCCC1 493241889 HGKKXKYKHIDXJA-UHFFFAOYSA-N 273.376 3.704 30 20 CHED C=CCN(Cc1nc(-c2ccccc2F)no1)C(C)(C)C 661759492 HUSJRCKOTNGAMP-UHFFFAOYSA-N 289.354 3.662 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc2ccccc2c1 499487309 LUMRRGBXEWULSJ-GOSISDBHSA-N 280.371 3.898 30 20 CHED CC(C)n1cc(C=NNc2ccccc2Cl)cn1 732710905 XEJFCFBVVMDPIV-UHFFFAOYSA-N 262.744 3.563 30 20 CHED N#CC1(C(=O)Nc2csc(-c3ccccc3)n2)CCCC1 588079316 NYVGRGLMGHMQTI-UHFFFAOYSA-N 297.383 3.833 30 20 CHED C[C@H](N[C@H]1CCCc2scnc21)c1cccc(C#N)c1 599026435 APSSAUIDUAJLED-FZMZJTMJSA-N 283.400 3.743 30 20 CHED C#CCOc1cccc(NC(=O)N(CC)[C@@H](C)C(C)C)c1 731110838 FSPGGUMUYWFPFK-AWEZNQCLSA-N 288.391 3.597 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H](OC)C1 666238527 GSQGSVMHZYSVPP-KURKYZTESA-N 273.420 3.721 30 20 CHED N#Cc1cc(C(=O)OC[C@H]2CCCCC2(F)F)ccc1F 837712059 ULYBYBOMHGWOEM-GFCCVEGCSA-N 297.276 3.680 30 20 CHED C=CCCCCCCNC(=O)[C@]1(C#N)CC12CCCC2 831992140 DCAXAMZFQFJSRN-QGZVFWFLSA-N 274.408 3.713 30 20 CHED CC(C)Sc1ccccc1NC(=O)c1cccc(C#N)n1 589616496 NZQBTFGQGHORAU-UHFFFAOYSA-N 297.383 3.706 30 20 CHED CCCCCCCC[C@H](N)c1nc(-c2coc(C)n2)no1 904711986 CYTKAGILTACDLG-LBPRGKRZSA-N 292.383 3.783 30 20 CHED C#CCCCCC(=O)N1CCCc2ccc(C)c(F)c21 839441820 RQVRHRXBVAKYRW-UHFFFAOYSA-N 273.351 3.607 30 20 CHED N#C[C@H](C(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1ccc2ccccc2n1 835041031 IPSGWPASIPSZSI-JONQDZQNSA-N 290.366 3.847 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cc2ccccc2nc1C 839039057 BLHIIDJXZRBYCM-GFCCVEGCSA-N 267.328 3.502 30 20 CHED CCC/C(C)=C\C(=O)Nc1cc(C#N)cn1C(C)(C)C 730937100 UQYBIVMMOIXYRY-WQLSENKSSA-N 273.380 3.800 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1c(C)cccc1Cl 736024011 ZMAAJERFENVNHY-LLVKDONJSA-N 268.740 3.535 30 20 CHED CC(=NNc1ccc(Cl)c(C)c1)c1cc(C)n(C)n1 905508336 FEEHIDKOEORCSS-UHFFFAOYSA-N 276.771 3.526 30 20 CHED N#Cc1ccc(NCCc2cc3ccccc3s2)cn1 580101446 RNTUIFRFNLTIHM-UHFFFAOYSA-N 279.368 3.823 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cn(C(C)C)nn2)cc1 901523804 HUABHQWCEXZYMU-YFHOEESVSA-N 299.374 3.544 30 20 CHED CCOc1cc(C=NOC(C)C)cc(Cl)c1OC 835004100 HAQRJHXSWRCGQD-UHFFFAOYSA-N 271.744 3.506 30 20 CHED C=CCC(F)(F)C(=O)N[C@](C)(Cc1ccccc1)C1CC1 837162310 JNZNTZRFJWEDGN-MRXNPFEDSA-N 293.357 3.725 30 20 CHED N#Cc1ccc(OC(=O)c2cc3occc3s2)cc1 735989271 VEBPLTTXXGZOLF-UHFFFAOYSA-N 269.281 3.585 30 20 CHED Cc1ccc(C=NNc2nc(-c3ccccc3)no2)cc1F 731487526 ZVEPIMUVGSFEBU-UHFFFAOYSA-N 296.305 3.630 30 20 CHED Cc1cc(F)ccc1C=NNc1c(F)cccc1F 735618677 DRSSWUIZXLSYCK-UHFFFAOYSA-N 264.250 3.858 30 20 CHED CCCCCCCC(=O)N1CCSC[C@H]1C1CC1 836859488 PZFWPJQGBLQIDH-AWEZNQCLSA-N 269.454 3.701 30 20 CHED C=C(C)CN[C@@H](COC)c1cccc(C(F)(F)F)c1 678784107 VHPRKMJCBNDBIC-ZDUSSCGKSA-N 273.298 3.559 30 20 CHED CC(=NNc1ccc(C)cc1Cl)[C@@H]1CCCOC1 835012307 RNNMTSMKIOIIIY-GFCCVEGCSA-N 266.772 3.863 30 20 CHED C=C(C)CNC(=S)N1CCCCC[C@@H]1c1ccco1 736450223 NIOJGLFMVALRSI-CYBMUJFWSA-N 278.421 3.647 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@@H]2C[C@@H]21 672135855 LCSQNHSEMODEGI-OCCSQVGLSA-N 273.401 3.589 30 20 CHED C=CCC1(C(=O)O[C@H](C)CC2CCOCC2)CCCC1 835417345 XVIKPZYTHPRPTA-CQSZACIVSA-N 280.408 3.871 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H]3CCC[C@@H](C#N)C3)c[nH]c2c1 839049318 IIBOUWSDAXTQHJ-UKRRQHHQSA-N 296.370 3.644 30 20 CHED CCCCCCCCNCc1cnc(C2CC2)nc1 838893784 FWTGRRUJNJYPMG-UHFFFAOYSA-N 261.413 3.804 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C3CCC3)cc2)cnn1C 834434336 HATGBTJUZXPQCF-FLIBITNWSA-N 280.371 3.892 30 20 CHED CC(C)(C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730416701 GZMZGLXCLSEIJQ-SECBINFHSA-N 276.336 3.658 30 20 CHED C=CCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 735492936 LAJXPQJPQJYWJH-BFYDXBDKSA-N 259.393 3.803 30 20 CHED COC(=O)c1cccc(NN=C2CCCCCC2)c1F 835018627 REVAXAAGNYYSSM-UHFFFAOYSA-N 278.327 3.734 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CC[C@H](C)CC1 583755849 GLOUIECAPQKAFY-AULYBMBSSA-N 256.349 3.632 30 20 CHED C=CCONC(=O)N[C@H](CC(C)(C)C)c1ccccc1 834933020 KPOXPBGXLZFIEN-CQSZACIVSA-N 276.380 3.581 30 20 CHED CC(=NNc1cnccn1)c1ccc(OCCC(C)C)cc1 912961848 PPAJOYKSADLCIP-UHFFFAOYSA-N 298.390 3.738 30 20 CHED C/C(=C\c1ccc(Cl)cc1)C(=O)NCC(C)(C)CC#N 837887549 FXRUDTKCHZEJAD-ZRDIBKRKSA-N 290.794 3.799 30 20 CHED Cc1ccccc1C1=NN/C(=N/Cc2ccccc2)SC1 917626258 LSIMASVYEUIOIM-UHFFFAOYSA-N 295.411 3.592 30 20 CHED C=CC(C)(C)COC(=O)c1cc(C)n([C@H](C)C2CC2)n1 835723238 QYSSCYOLNNKUEZ-GFCCVEGCSA-N 276.380 3.532 30 20 CHED N#Cc1csc(C(=O)Nc2ccccc2NC2CCC2)c1 593813732 OSGURBZBCQLOEZ-UHFFFAOYSA-N 297.383 3.836 30 20 CHED COC1CCC(Nc2nc(C(C)(C)C)ccc2C#N)CC1 591177314 ZCVSJOPPDNSJPK-UHFFFAOYSA-N 287.407 3.620 30 20 CHED C=C(Cl)CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 743854873 QGYOLRZMJHFMTO-QMTHXVAHSA-N 253.748 3.961 30 20 CHED CCO[C@H]1CC(=NNc2nccnc2Cl)C1(CC)CC 748251511 KZVXPNDDNPYTMP-NSHDSACASA-N 296.802 3.513 30 20 CHED C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1F 595091684 SDABJEGGGHWAEK-ADLMAVQZSA-N 296.345 3.741 30 20 CHED C=CCN(C(=O)CCCOc1ccc(C)c(C)c1)C(C)C 746510913 NFDLSWKJKYWTKJ-UHFFFAOYSA-N 289.419 3.885 30 20 CHED N#CCC1(COC(=O)c2ccc(C(F)F)cc2F)CC1 847653613 FGDYJMLTSKTTGS-UHFFFAOYSA-N 283.249 3.614 30 20 CHED CCCCCC1=C(C)CCC1=NNc1ncccn1 912974420 VODXEWMAKRJKOD-UHFFFAOYSA-N 258.369 3.935 30 20 CHED C=CCC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 598599635 CPSHLISQUPPQCG-SJORKVTESA-N 286.419 3.584 30 20 CHED N#Cc1cccc(C(=O)O[C@@H]2CCc3ccc(F)cc32)c1 747893821 FDERAHZZCMZYFB-MRXNPFEDSA-N 281.286 3.542 30 20 CHED Cc1cc(Cl)cnc1NC(=O)CC1(C#N)CCCCC1 598841133 BSYYKMGTOQHBEW-UHFFFAOYSA-N 291.782 3.846 30 20 CHED C=C(C)CCOC(=O)C1(c2ccccc2C)CCOCC1 744303983 IQLRPEMUDKUOMY-UHFFFAOYSA-N 288.387 3.553 30 20 CHED COc1cc(CCN[C@H]2CCC[C@@H](C#N)C2)ccc1Cl 590262739 MVZJTNKMXMTDKO-KGLIPLIRSA-N 292.810 3.563 30 20 CHED CCCC(C)(C)NC(=O)CC1(C#N)CCCCC1 597008519 LQYQTSAEISLKOA-UHFFFAOYSA-N 250.386 3.545 30 20 CHED N#Cc1ccccc1SCc1cc(C2CC2)no1 594890439 PWFPHHKYQFFPLZ-UHFFFAOYSA-N 256.330 3.716 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@H]1C 841602150 AGSINUKEVTYKER-WCBMZHEXSA-N 271.286 3.934 30 20 CHED C[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)CC(C)(C)C#N 598587196 OVFVJZKQYJRRCK-WFASDCNBSA-N 294.826 3.634 30 20 CHED C=C(C)CCOC(=O)CSc1ccc(OCC)cc1 744300005 OKXMFUZVZFNNPB-UHFFFAOYSA-N 280.389 3.687 30 20 CHED O=C(O)c1ccccc1NN=Cc1coc2ccccc12 746563528 FGUJOLRPHLRAQU-UHFFFAOYSA-N 280.283 3.577 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(C2CC2)no1 595549428 JFHUXLOSNDCKKU-LBPRGKRZSA-N 281.359 3.617 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(F)ccc1F)C2 747440679 OUCQZMKUVMRWHU-GHXNOFRVSA-N 286.277 3.796 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCc2c(Cl)cccc21 684766288 QEOFTNFUQRTNSR-DQYPLSBCSA-N 291.822 3.898 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1nccc2occc12 923766622 GQRDSHDRBCFOFG-UHFFFAOYSA-N 286.331 3.705 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H](C)c1ccccc1F 929932525 CVBVJGIPBQFZBK-CHWSQXEVSA-N 263.356 3.947 30 20 CHED Cc1cccc(NN=C[C@H]2CCOc3ccccc32)c1 752156883 IJUFRIUQDWUKRI-CQSZACIVSA-N 266.344 3.959 30 20 CHED C=C(C)[C@H](NC(=O)N[C@H]1C=CCC1)c1ccc(F)c(F)c1 852257169 JTQGOPASLSFPOU-WFASDCNBSA-N 292.329 3.600 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1Cc2ccc(F)cc21 684447392 QAJYEOFLRDZPCS-INIZCTEOSA-N 275.367 3.670 30 20 CHED C=CCCONC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 856034444 NDPXPXCSGLYVMU-LBPRGKRZSA-N 281.783 3.533 30 20 CHED Cc1ccc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] 925491262 DRVORVBDQHIABE-QWHCGFSZSA-N 289.379 3.882 30 20 CHED CCc1ccc(CCC=NNc2ccnc(F)c2)cc1 758126238 IRRRHXGXHQLJFN-UHFFFAOYSA-N 271.339 3.814 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1CC1(Cl)Cl)c1ccccc1 758303381 QZTASPXDVCGJTQ-AAEUAGOBSA-N 298.213 3.656 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@](C)(O)c1cccs1 850435690 CXJWORXUWXTXLT-IJEWVQPXSA-N 279.449 3.680 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccccc1Br 751520954 LQAZVENTAQZDME-LLVKDONJSA-N 297.196 3.664 30 20 CHED C[C@@H](NN=Cc1cc2ccccc2nc1O)c1ccccc1 920382603 JKXMNTKYIJWYDW-CYBMUJFWSA-N 291.354 3.625 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 753414443 YTZJXWUNIYNGGN-CYBMUJFWSA-N 296.370 3.896 30 20 CHED N#CC1(CCCCN2CC[C@@H](c3ccco3)C2)CCC1 929617809 KSRNNBUSNCKMDW-OAHLLOKOSA-N 272.392 3.933 30 20 CHED CC(=NNC(=S)Nc1cccc(C)c1C)c1ccoc1 755880568 SDQDXQWQKSCTKP-UHFFFAOYSA-N 287.388 3.607 30 20 CHED C[C@@H]1CCCC[C@H]1CN1CCO[C@@H](c2cccc(C#N)c2)C1 753548105 CFGSCQAESMCVGH-AYOQOUSVSA-N 298.430 3.758 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)/C(C)=C/c1ccccc1Cl 755544062 WOFPCVQRWYWAKE-OQZOHAQUSA-N 290.794 3.751 30 20 CHED C#CCCOc1ccc(NC(=O)C2CCCCC2)cc1 760354788 ZNNZRVVQPVSQPP-UHFFFAOYSA-N 271.360 3.608 30 20 CHED CCc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)o1 760253742 JJXJTKYIHJXYIM-UHFFFAOYSA-N 273.292 3.505 30 20 CHED C#CCN(C(=O)c1ccc(-c2ccccc2)cc1)C1CC1 763801180 KDWCJRFJRKXNOT-UHFFFAOYSA-N 275.351 3.591 30 20 CHED CCc1ccccc1NN=Cc1ccc(OC)s1 763166068 KMEMBHJKUUNIQC-UHFFFAOYSA-N 260.362 3.765 30 20 CHED C#CC[C@@H](NC(=O)[C@H](CCC)C(C)C)c1ccccc1 764232733 JSZGSXQCXOZXKD-IAGOWNOFSA-N 271.404 3.940 30 20 CHED COc1cc(F)ccc1NN=Cc1cnc(C2CC2)s1 761885800 UAAHEUVJAGNVRQ-UHFFFAOYSA-N 291.351 3.614 30 20 CHED N#Cc1ccc(CNc2ccc3oc(CO)cc3c2)cc1F 864041151 YBLLMMGGFUIBQL-UHFFFAOYSA-N 296.301 3.548 30 20 CHED C[C@H]1CC(/N=C\c2c(O)ccc3ccccc23)C[C@@H](C)O1 767879189 UDLZYEDNZLNVIC-LXXGBXIXSA-N 283.371 3.920 30 20 CHED CSCCC=NNc1ccccc1C(F)(F)F 864358310 TVQLISZIOHIJTI-UHFFFAOYSA-N 262.300 3.856 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1(C(C)(F)F)CC1 1118713289 XQFTVWTZWOMJMQ-CQSZACIVSA-N 293.357 3.725 30 20 CHED N#CCCCOC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1118517616 CFTMQHNMPVDCDD-ARJAWSKDSA-N 284.142 3.854 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccccc1O 769841818 WKFSMUBTNBXUIF-UHFFFAOYSA-N 258.296 3.676 30 20 CHED Cc1cc(F)ccc1-c1ccc(C=NNc2cnn(C)c2)o1 761863814 DBWKFAZCYMPLBQ-UHFFFAOYSA-N 298.321 3.574 30 20 CHED C=CCC[C@H](NC[C@](C)(O)c1ccccc1Cl)C1CC1 765808882 LAWHOKAGDKGWGD-IRXDYDNUSA-N 293.838 3.882 30 20 CHED Cc1nc2ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc2s1 764040687 GVAHYDUXQTYMTF-SECBINFHSA-N 288.372 3.700 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C1CC2(CCC2)C1 772839353 CPMXNWVGEYMLOW-UHFFFAOYSA-N 279.727 3.980 30 20 CHED CC(Cc1ccc(Cl)cc1)=NO[C@@H]1CCCCO1 773205718 AHRBBIGOIYZZQP-CQSZACIVSA-N 267.756 3.802 30 20 CHED Cc1ccc(/C=C2\C(=O)Nc3cc(C#N)ccc32)c(C)c1 773158320 BMTODDBKOMYNRX-SXGWCWSVSA-N 274.323 3.668 30 20 CHED COc1cc(/C=C2\CCc3cc(O)ccc3C2=O)ccc1C 773139684 MUWQJWBAMMLFJH-OQLLNIDSSA-N 294.350 3.922 30 20 CHED Cc1cccc2c1CCN(Cc1cccc(C#N)c1F)C2 774603400 RMCSXAYEWWZRCU-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 778187464 QXTGTGHPMYYVRD-QGZVFWFLSA-N 283.415 3.963 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)OCC1(C#N)CC1 775873999 ZGBQMMSMEBYFSC-DHZHZOJOSA-N 275.735 3.590 30 20 CHED CC(CCc1ccc2c(c1)OCO2)=NOC1CCCC1 774608447 MYGIUBDQATZCFV-UHFFFAOYSA-N 275.348 3.683 30 20 CHED COC[C@@H](C)NN=C1CCC[C@H](C(C)(C)C)CC1 777893432 QPARYMVQYYEXSX-OLZOCXBDSA-N 254.418 3.593 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)[C@@H](C)CC)c1 779914869 IQCXKCIBXCEKMN-UONOGXRCSA-N 257.377 3.703 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccccc1Oc1ccccc1 770054803 HKHTWLQOXBSUQS-AWEZNQCLSA-N 294.354 3.964 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1NCc1cccc(OCC#N)c1 1116781067 QGCWBXQLRGBMPW-CJNGLKHVSA-N 272.392 3.503 30 20 CHED COc1cc(F)cc(NN=C(C)c2cccc(F)c2F)c1 776260121 XOULVUKQKAULGY-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C#CCCCCC(=O)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 773771634 IYPVXCUGZJZOCQ-NSHDSACASA-N 288.318 3.615 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1c(O)cccc1F 886610773 JMCBWVWDBMQIFN-LLVKDONJSA-N 264.344 3.512 30 20 CHED CCOCCON=C1CCCC[C@@H]1c1ccccc1 774436440 ISTOOJMTEKKLLG-OAHLLOKOSA-N 261.365 3.753 30 20 CHED C#Cc1cccc(NC(=O)N(C)Cc2cc(C)ccc2F)c1 770127102 AODKDFXIMZLUDS-UHFFFAOYSA-N 296.345 3.779 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(F)c1 1129459344 IAVXQKVREBDTGG-SMDDNHRTSA-N 274.339 3.852 30 20 CHED Cc1csc(CCNc2ccc(Cl)cc2C#N)n1 63134363 ATROSZNJTSUFIW-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CCOc1ccc(C=NNc2cc(Cl)ccn2)cc1F 782268605 RTADVNFNWUCCHJ-UHFFFAOYSA-N 293.729 3.719 30 20 CHED N#Cc1sccc1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 1127437217 MWEXNNLIDNJZSH-UHFFFAOYSA-N 293.351 3.867 30 20 CHED COc1ccc(Cl)cc1C(C)=NNc1ccnc(F)c1 781133670 RPWCWIWTLFRYBO-UHFFFAOYSA-N 293.729 3.719 30 20 CHED CCC(=NNc1cc(Cl)ccc1Cl)c1cn[nH]c1 789022424 BJBUJOSTPYUUNV-UHFFFAOYSA-N 283.162 3.943 30 20 CHED Cc1cc(COC(=O)[C@@H](C)c2cccc(F)c2)ccc1C#N 783879468 CROUKERYVBORRD-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(F)F)cc1 885582793 NOZXMNBDBFESFI-HNNXBMFYSA-N 283.318 3.792 30 20 CHED CCC(=NN[C@@H]1CCOC(C)(C)C1)c1cc(F)ccc1F 780249514 BDGUSIMHWJREBI-GFCCVEGCSA-N 296.361 3.626 30 20 CHED CO[C@@H](C(C)=NNc1nccnc1C(C)C)c1ccccc1 782284876 LNSOGXRADJHSIY-INIZCTEOSA-N 298.390 3.776 30 20 CHED CC[C@@H](CC#N)OC(=O)c1[nH]c2ccccc2c1Cl 787087598 VMZJFBJSMFNAOG-VIFPVBQESA-N 276.723 3.670 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)OCC1CC1 784990934 UEZXABZNJJIMJX-UHFFFAOYSA-N 286.375 3.563 30 20 CHED N#Cc1ccc(COC(=O)c2cccs2)c(Cl)c1 784188544 SUNADSXUCFPMFU-UHFFFAOYSA-N 277.732 3.630 30 20 CHED C#CCCCCN[C@H]1CC[C@H](Cc2ccccc2)C1 780535749 HBKYGGZRILGNRG-MSOLQXFVSA-N 255.405 3.791 30 20 CHED CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC1CCCCC1 781609481 CWQPUIYSLHNHLM-DHDCSXOGSA-N 295.448 3.599 30 20 CHED C[C@@H]1Cc2cc(N[C@@H]3CCC[C@H](C#N)C3)ccc2O1 897114397 MCOKPKZXAPREEG-MBNYWOFBSA-N 256.349 3.504 30 20 CHED Cc1cc(C)c(NN=Cc2ncccc2C)c(C)c1 781593366 YFERVHULMLQCBY-UHFFFAOYSA-N 253.349 3.761 30 20 CHED C=CC(C)(C)CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 893061286 GMPOXZXJVPZPFJ-LLVKDONJSA-N 296.292 3.879 30 20 CHED C=CCC[C@@H](C)Nc1cccc([S@@](C)(=O)=NC)c1 895736153 QZTSJITZNDASSH-KZULUSFZSA-N 266.410 3.540 30 20 CHED COc1ccc(/C=C\C(=O)OCC2(C#N)CCCCC2)cc1 780490133 NCIPYQXOPDYIAH-YFHOEESVSA-N 299.370 3.726 30 20 CHED CCn1cc(/C=C2/Cc3ccc(Cl)cc3C2=O)c(C)n1 899364829 KDOBNVOFMSMEOX-GHXNOFRVSA-N 286.762 3.687 30 20 CHED CCC(CC)NN=C/C=C/c1ccc(F)c(F)c1 794908697 MLGKKJMOHIPXLO-WCLBPFOISA-N 252.308 3.742 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccc(SC)cn2)no1 896519543 XEFSFXHHJZMDCN-UHFFFAOYSA-N 275.377 3.608 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc(F)nc1 799493645 KEUZCSCSKHWSFE-UHFFFAOYSA-N 257.312 3.538 30 20 CHED CCN1CCN(Cc2ccc(C#N)cc2F)c2ccccc21 1205341194 XLZWAJRTUXNGMY-UHFFFAOYSA-N 295.361 3.544 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C/Sc1ccccc1 798551781 WAAWRAYVNYYWRB-YLSINNKHSA-N 261.390 3.763 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@](C)(O)CC1 791999536 SVOJKDQWWPLTHH-QGZVFWFLSA-N 298.471 3.684 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)CCCC)c1ccncc1 799938543 XJJSOHADTCQDSR-UKRRQHHQSA-N 260.381 3.641 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CCc1ccccc1)C1CC1 798495551 DVRIYSQEMOVYAL-MRXNPFEDSA-N 286.419 3.758 30 20 CHED CC1(C)CCCN(Cc2csc(C3CC3)n2)[C@@H]1C#N 277922653 YAHJWKYEHROJMP-CYBMUJFWSA-N 275.421 3.535 30 20 CHED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccncc1 795980814 KYETVCFNLIAGRT-RHSMWYFYSA-N 294.354 3.773 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(Cl)cn1 703918086 FXPFXQBUDFMSAI-UHFFFAOYSA-N 257.724 3.527 30 20 CHED COc1ccc(CCC=NNc2cccc(F)n2)c(C)c1 795006402 HCEXPRDALIFRDX-UHFFFAOYSA-N 287.338 3.568 30 20 CHED C[C@H]1COCCC1=NN=C1c2ccccc2-c2ccccc21 794488404 NENIGILSOGBECJ-ZDUSSCGKSA-N 290.366 3.917 30 20 CHED C=C[C@H](OC(=O)c1cc(NC(C)=O)ccc1F)C(C)(C)C 798904194 CFHHTUOSOUIFAE-AWEZNQCLSA-N 293.338 3.542 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)c1nnc2n1CCC2 59487399 DUMSUHRZROQMER-UONOGXRCSA-N 278.444 3.624 30 20 CHED COCc1cccc(/C=C\C(=O)c2cc(C)c(C)o2)c1 799897089 MRNNQSSGCNHGGZ-FPLPWBNLSA-N 270.328 3.939 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 791064342 GFAAQKSLGXJFSQ-QZTJIDSGSA-N 298.430 3.513 30 20 CHED C=C(C)CNC(=S)Nc1cc(Cl)c(Cl)cc1F 798377628 YHMZURVLBMFGPV-UHFFFAOYSA-N 293.194 3.995 30 20 CHED C[C@@H]1CSCC1=NNc1c(F)cccc1Cl 794930028 ARNYPAGIMLPXHP-SSDOTTSWSA-N 258.749 3.630 30 20 CHED CCCCCCC[C@H](C)NCc1cnccc1OC 688967295 MHRBWWYUOAEJJZ-AWEZNQCLSA-N 264.413 3.929 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cnn(Cc2ccccc2)c1 695842162 KRFSEGZHSORKQT-CQSZACIVSA-N 282.391 3.672 30 20 CHED Cc1cc(CN(CCC#N)Cc2ccco2)cnc1Cl 768153988 ROVVGMHBXWBQGO-UHFFFAOYSA-N 289.766 3.552 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2CCC(C)(C)C2)c1 781631903 RYCLUCBGNOBFDQ-OAHLLOKOSA-N 269.388 3.847 30 20 CHED Cc1cc(C#N)nc(-c2c(Cl)cccc2Cl)n1 1245672481 KLTFICOBVIYCLC-UHFFFAOYSA-N 264.115 3.631 30 20 CHED COC(=O)[C@H](Sc1ccc(Cl)cc1C#N)C(C)(C)C 1165754148 FCQRSQYTZVRSII-LBPRGKRZSA-N 297.807 3.891 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN(c1ccc(C#N)cn1)C2 1318046018 UKYOSPDZMGEAJJ-UHFFFAOYSA-N 291.398 3.813 30 20 CHED C[C@@H](Oc1cccc(Cl)c1)c1nnc(CCCC#N)o1 1327362398 ANTVVEVFTSBPNX-SNVBAGLBSA-N 291.738 3.709 30 20 CHED CCC[C@H](C)c1cc(NC(=O)c2cccc(C#N)c2C)n[nH]1 1329290347 DQCDUPJBNCYLNH-NSHDSACASA-N 296.374 3.746 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@](CO)(C(C)C)C1 1327577139 SMCXOVCZHYAXIN-GOSISDBHSA-N 297.483 3.994 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(CC)c(CC)c1 1323442050 DGDHFFBTELCOHZ-UHFFFAOYSA-N 257.377 3.626 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(N)cc1C 1320230763 ZKXINJJLTTYDAE-UHFFFAOYSA-N 297.406 3.501 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccc(-c2cccs2)s1 1323696420 DBAXXFYAROYAQR-VIFPVBQESA-N 276.386 3.509 30 20 CHED CC(=NOC(C)(C)C)c1ccc(Cl)c([N+](=O)[O-])c1 1324558916 SUGGOBBGVOILGF-UHFFFAOYSA-N 270.716 3.787 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 1336882796 DNAICQZMZHUJHF-OAHLLOKOSA-N 261.340 3.846 30 20 CHED C=C(C)CCC(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O 1335846049 QHTUQNBLGSYYID-HOTGVXAUSA-N 291.435 3.873 30 20 CHED CC[C@H](CO)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1332822486 PGKJZXXCQUHOAU-IFXJQAMLSA-N 294.398 3.647 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1csc(C2CC2)n1 1336237414 BVBMFQCQRCAHRS-GFCCVEGCSA-N 276.405 3.591 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1 1336238103 IYRUDXRHFJMSKP-CQSZACIVSA-N 288.778 3.782 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccc(F)c(C#N)c1 1264069821 PLTVFIZSWOULRW-LBPRGKRZSA-N 276.355 3.644 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1nccc2occc12 1344063885 QLDPPEXKDCYJQF-HNNXBMFYSA-N 259.305 3.587 30 20 CHED Cc1ccc(CCC(=O)O[C@H](CC#N)c2ccco2)s1 1346720790 YOKJEFZYVUSSGQ-CQSZACIVSA-N 289.356 3.780 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)CCCc2c(F)cccc2F)C1 1344683807 AWQHNIWRBUFAEZ-RYUDHWBXSA-N 293.313 3.523 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1CCCc2nc(C)sc21 1349414709 VJPVRFBFMMKAQJ-CYBMUJFWSA-N 278.421 3.547 30 20 CHED C#CC[C@H](C)OC(=O)c1cc(C2CC2)nc2ccc(C)cc12 1344587066 NORDPZJIUWUTDO-ZDUSSCGKSA-N 293.366 3.989 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)[C@H](C#N)c1nccn1C 1342268548 NSPRYHCQKRDZHW-CABCVRRESA-N 287.407 3.593 30 20 CHED Cc1cc(F)cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 1276789143 LJBYPURCPLPYNE-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(-c3ccco3)n2CC=C)C1 1519558698 AWBQWDLGDXWWGE-CQSZACIVSA-N 298.390 3.517 30 20 CHED Cc1ccc(Nc2ncc(Br)cc2C#N)cc1 217250789 SRIYCEALANHYIX-UHFFFAOYSA-N 288.148 3.768 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(C#N)cn1 1458635512 UVLFOSRFGFQQSP-YOEHRIQHSA-N 277.371 3.726 30 20 CHED CSc1ccc([C@@H](C)Nc2ncc(C#N)cc2F)cc1 1458336901 USDZKLRJADPUIF-SNVBAGLBSA-N 287.363 3.987 30 20 CHED N#Cc1ccc(OC(F)F)c(NC(=O)CCC2CCC2)c1 1529750061 HUYYRTULOLYDII-UHFFFAOYSA-N 294.301 3.678 30 20 CHED C[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1CCCCCC1 1521925205 OVJAOGOLJMOYGX-RDTXWAMCSA-N 288.435 3.936 30 20 CHED CC(CC1CC1)=NNc1ccc(C(=O)O)c(Cl)c1 1609736984 IIGFGQUSMCGBLU-UHFFFAOYSA-N 266.728 3.626 30 20 CHED N#Cc1ccc(NC(=O)Cc2ccccc2F)c(Cl)c1 225783196 MLFZCCNZMILGGL-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@H]1CCC[C@@H](CNc2nc(C#N)c(Cl)s2)C1 1611863651 LDVBPILVNFJVPU-DTWKUNHWSA-N 269.801 3.906 30 20 CHED Cc1scc(COC(=O)c2cccc(CC#N)c2)c1C 1624362866 VUYWFMNVVKADAA-UHFFFAOYSA-N 285.368 3.788 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cnc(CC(C)C)s2)c1 1583759973 MVSVFYHKCQDPNH-UHFFFAOYSA-N 299.399 3.774 30 20 CHED CC(C)[C@@H](C=NNc1ccc(C(=O)O)nc1)c1ccccc1 1776070696 BSRMPFAEANBFAJ-OAHLLOKOSA-N 297.358 3.617 30 20 CHED C=CCC[C@H](NCc1cccc(-c2ccccc2)c1)C(=O)O 1776167002 FCEFHDVNHYSSJH-SFHVURJKSA-N 295.382 3.863 30 20 CHED O=C(O)c1ccc2c(c1)CCC/C(=C\c1ccccc1)C2=O 1777683097 NLHUCGOCZAAONP-RVDMUPIBSA-N 292.334 3.987 30 20 CHED Cc1c(NN=Cc2ccc(CF)cc2)cccc1C(=O)O 1776089647 BEEWHQBOCCALFS-UHFFFAOYSA-N 286.306 3.609 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)cc1F 1777433819 RZASBYZNSNZRIR-SNAWJCMRSA-N 290.315 3.790 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCc1nc2ccccc2[nH]1 17309345 AYVMGRLHZXTJQD-VCHYOVAHSA-N 299.761 3.584 30 20 CHED C=CCN(C)C(=O)c1ccc(-c2ccc(C)o2)s1 161958320 DEEJFWSLUHCDCN-UHFFFAOYSA-N 261.346 3.575 30 20 CHED Cc1ccc2c(c1)OCCC[C@H]2NCc1cccc(C#N)c1 151374510 GFCNSRDVZONYRM-GOSISDBHSA-N 292.382 3.870 30 20 CHED Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)s1 153442559 BNFDRTRBORFOKI-CQSZACIVSA-N 284.384 3.831 30 20 CHED CCc1ccc([C@H](C)CC(=O)N2CCC(C#N)CC2)cc1 157653301 QPQZTHOOSVQAIF-CQSZACIVSA-N 284.403 3.505 30 20 CHED C#CCCCCNC(=O)CCCCCc1cccs1 156550238 IZLKDQCFBFCXCW-UHFFFAOYSA-N 277.433 3.771 30 20 CHED CC(C)c1ccccc1NC(=O)CN(CC#N)C1CCCC1 156769143 FYKIYIXCGLBISZ-UHFFFAOYSA-N 299.418 3.517 30 20 CHED C=CCCOCC/N=C/c1c(O)ccc2ccccc12 154799790 TZHIECBPIJZDBG-QGOAFFKASA-N 269.344 3.557 30 20 CHED CCC(C)(CC)C(=O)Nc1ccccc1O[C@H](C)C#N 159578868 UOQXWTIBQGBTLM-GFCCVEGCSA-N 274.364 3.742 30 20 CHED CCc1cnc(CN(C)c2ccc(C#N)cc2C)s1 846752265 ZSGLMZIUAXMWDS-UHFFFAOYSA-N 271.389 3.522 30 20 CHED Cc1ccc(CNCc2cccc(C#N)c2)c(Cl)c1 235889331 AIAGKQRCYKQNFQ-UHFFFAOYSA-N 270.763 3.810 30 20 CHED C[C@H]1SCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 235610948 KNGZNZORKUMZQX-PELKAZGASA-N 286.322 3.883 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3ccccc23)C[C@H]1C 252727139 ARLINZJITCZJBB-QWHCGFSZSA-N 265.360 3.589 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H]2CCCC[C@@H]21 165501133 HOFXHZZVLDCQMZ-RDJZCZTQSA-N 254.377 3.631 30 20 CHED N#Cc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 45027079 GXROUYURUFHVRO-UHFFFAOYSA-N 285.734 3.533 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Cl)cc1Cl 184868917 GMPJQSRQYUZWBQ-UHFFFAOYSA-N 270.159 3.981 30 20 CHED CCn1nc(C)c(CNc2ccc(C#N)cc2Cl)c1C 307963824 HVSSBXZCSLZNAX-UHFFFAOYSA-N 288.782 3.657 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(Cl)ccn1 511167308 DLMBEVFNNKNNNH-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C=CCCC[C@H](C)NCc1cc(COC)cs1 657429399 SOHKRALOYFXGRV-LBPRGKRZSA-N 253.411 3.729 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cc(Cl)sc2Cl)C1 335621587 RRMSWEHCMBEQIO-APPZFPTMSA-N 275.204 3.837 30 20 CHED N#Cc1ccc(N2CCC[C@@H](F)C2)cc1C(F)(F)F 357686336 PLWZXFWNIPMXJF-SNVBAGLBSA-N 272.245 3.515 30 20 CHED N#Cc1csc(CNC[C@H]2CCC3(CCCCC3)O2)c1 359821866 XGVHNQCULDOZKS-CQSZACIVSA-N 290.432 3.591 30 20 CHED N#Cc1ccc(N2CC[C@@H](C3CC3)C2)cc1C(F)(F)F 400037791 KTJLOEBYSQNXPO-GFCCVEGCSA-N 280.293 3.813 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=S)NN=C1CCCCCC1 7994261 ULTPJUZAYMUCRJ-JSGCOSHPSA-N 281.469 3.739 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCc2c(Cl)cccc21 56900394 RPESDXRVOPSNQN-HNNXBMFYSA-N 292.810 3.935 30 20 CHED Cc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2)c1C 108658752 YSXHKWSFEDGDKY-CMDGGOBGSA-N 268.360 3.977 30 20 CHED Cc1ccoc1C(=O)Nc1cccc(OCCCC#N)c1 55569607 TXPVQEXTWOHYMM-UHFFFAOYSA-N 284.315 3.523 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC(F)F)cc1 50049694 XRDQBNDHDKCTJD-UHFFFAOYSA-N 255.308 3.686 30 20 CHED CC(C)n1ccc(CSCc2cc(F)ccc2C#N)n1 177683525 WKMUIUNBGOIVNJ-UHFFFAOYSA-N 289.379 3.908 30 20 CHED COc1cc(C/N=C(\N)Nc2cc(C)cc(C)c2)ccc1C 170910114 FYHUGLTUHILNDF-UHFFFAOYSA-N 297.402 3.547 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCc2occc21 69606578 INGUAQXCIXNUKR-AWEZNQCLSA-N 295.342 3.659 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1nccn1C(C)C 107299341 JYGRFCBKFVOXOE-UHFFFAOYSA-N 299.418 3.661 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCc2sccc2[C@H]1CC 69353606 OJTFGRBUAKCYGH-GXTWGEPZSA-N 293.432 3.565 30 20 CHED C=CCCCC(=O)NC[C@@H](c1ccccc1)N(CC)CC 175099602 UNPBCEQSFKCPMF-KRWDZBQOSA-N 288.435 3.542 30 20 CHED CC(C)=CC(=O)Nc1ccccc1S[C@@H](C)CC#N 66800666 RKKNUAWNHBVDEJ-LBPRGKRZSA-N 274.389 3.986 30 20 CHED N#C[C@H](Sc1nnc(C2CC2)s1)C1CCCCC1 173942848 STJGDAUXLHXNJJ-NSHDSACASA-N 279.434 3.980 30 20 CHED COCCC1(CNc2cc(Cl)ccc2C#N)CCC1 301677140 SWPAFXWUIXUFEG-UHFFFAOYSA-N 278.783 3.830 30 20 CHED CC[C@H](C#N)NC(=O)c1cc(C)n(C2CCCCC2)c1C 171004195 SIQNDQPEGZNZFR-CQSZACIVSA-N 287.407 3.642 30 20 CHED CCCC(CCC)S[C@@H](C(N)=O)c1ccc(C#N)cc1 115187602 LIIJXTGZAZWJQT-OAHLLOKOSA-N 290.432 3.787 30 20 CHED N#Cc1cnc2ccccc2c1NC[C@@H]1Cc2ccccc21 301081221 ISQROEXIJGYFMU-AWEZNQCLSA-N 285.350 3.858 30 20 CHED CCOc1ccccc1CCN[C@H](C)c1ccc(C#N)cc1 174048177 KCYQDOOVKRTTAP-OAHLLOKOSA-N 294.398 3.850 30 20 CHED C[C@@H]1CCC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 300057212 NRVWTEUXENWVOW-HTQZYQBOSA-N 255.774 3.659 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(C)Cc1cccc(C#N)c1 114232884 QKJNQSHESLWXQV-AWEZNQCLSA-N 284.403 3.733 30 20 CHED N#Cc1cccc(NCC2(c3ccc(Cl)cc3)CC2)n1 301250225 AXNKEPLSGIFMAY-UHFFFAOYSA-N 283.762 3.750 30 20 CHED N#Cc1cccc(C#N)c1NCCc1ccc(Cl)cc1 302421582 JBKOKGOQJGZBKT-UHFFFAOYSA-N 281.746 3.738 30 20 CHED N#CCC1(COC(=O)c2ccc(Cl)cc2Cl)CC1 174753228 FMQUKBOGIKMQCV-UHFFFAOYSA-N 284.142 3.844 30 20 CHED CC(C)(C/N=C(/N)Nc1ccccc1)Cc1ccccc1 304247605 WFPAODVUEOTFOU-UHFFFAOYSA-N 281.403 3.682 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 120078485 VJTRFTPMJDPRAL-MRXNPFEDSA-N 273.351 3.513 30 20 CHED Cc1ccccc1S[C@H](C)C(=O)Nc1cccc(C#N)c1 37665747 GSVINMBQFSMBCL-CYBMUJFWSA-N 296.395 3.986 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1ccncc1 182244489 LZHJKUILUDBVSK-SNAWJCMRSA-N 275.254 3.579 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1cccc(F)c1F 182623715 YIMKRLOTQIOGTL-LBPRGKRZSA-N 281.346 3.758 30 20 CHED CCn1c(S[C@H](C)CCC#N)nnc1-c1cccs1 188182774 RKGPTIMNYGNKGN-SNVBAGLBSA-N 292.433 3.811 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1 120674758 AAUQBJZAPKRXBB-ZDUSSCGKSA-N 285.174 3.661 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)s1 412822890 MFUGFJUSPJPMKR-RYUDHWBXSA-N 276.405 3.564 30 20 CHED C=CC[C@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1 186031945 INQOGEOGNBLEEA-SFHVURJKSA-N 297.373 3.844 30 20 CHED C=C(C)CCc1noc(CCc2ccc(C)cc2C)n1 508643155 DNWRDJRKJTYTIS-UHFFFAOYSA-N 270.376 3.980 30 20 CHED N#Cc1ncccc1N1CCCC2(CCCCC2)C1 357275574 HUGGLAHKFOTVKE-UHFFFAOYSA-N 255.365 3.504 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)C1CCC1 412841103 OFZQCKLPTHEOHI-PBHICJAKSA-N 271.404 3.726 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccncc1Cl 75674283 SJFQOFPXFWQNBH-UHFFFAOYSA-N 297.789 3.795 30 20 CHED N#Cc1ccc(Sc2ccccc2Br)nc1 37375186 DRPVJGSDFHSHRV-UHFFFAOYSA-N 291.173 3.867 30 20 CHED Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(O)c1 36991777 XDIVXJDJJYLSKI-UONOGXRCSA-N 280.371 3.984 30 20 CHED Cc1cc([C@H](C)NC(=O)Cc2ccc(C#N)cc2)c(C)s1 70158807 OXGVRDUKKUYFOA-LBPRGKRZSA-N 298.411 3.657 30 20 CHED C[C@H](NCc1ccc(F)cc1C#N)c1ccccc1 181373054 SCZCUMQWWGYSCH-LBPRGKRZSA-N 254.308 3.548 30 20 CHED CCC1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 78462424 OUDASWXBPAXAJC-UHFFFAOYSA-N 277.755 3.523 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 416107928 PKDDKHUDYJTNFN-LBTNJELSSA-N 296.414 3.878 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H]1C=CCCC1 188504013 ZFQKFSAFMWKXFT-AWEZNQCLSA-N 262.397 3.712 30 20 CHED N#CCc1cccc(NCc2ccc(OC(F)F)cc2)c1 313486978 ZDBPSDGDAJLAJW-UHFFFAOYSA-N 288.297 3.966 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N(C)C1CCCC1 509401548 HVENKURKXNGZJO-UHFFFAOYSA-N 272.392 3.669 30 20 CHED CO[C@@](C)(CNc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 313924605 BOPOWVXFEQKPHS-AWEZNQCLSA-N 298.308 3.804 30 20 CHED N#Cc1ccc(Sc2ccc(C(F)(F)F)cn2)nc1 19846600 CRBVNRBGBSOGOZ-UHFFFAOYSA-N 281.262 3.518 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)c1ccc(F)cc1 415542455 VAGBMNNSFUDHRZ-HOTGVXAUSA-N 275.367 3.886 30 20 CHED CC(C)CCC(=O)Nc1cccc(C#N)c1Br 416084053 WNBJMSBUESBGBA-UHFFFAOYSA-N 295.180 3.695 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@H](CC)CC#N 183813187 MOZFGPRLHXPLTD-ZIAGYGMSSA-N 252.402 3.791 30 20 CHED CSc1cccc(N(C)Cc2ccc(C#N)s2)c1 184750026 WQLZTRPSADVAJQ-UHFFFAOYSA-N 274.414 3.978 30 20 CHED C=CC[C@@H](C(=O)NCc1ccccc1OC)c1ccccc1 186026813 WEQGEZRAMIAZRX-QGZVFWFLSA-N 295.382 3.671 30 20 CHED C=CCNC(=O)Nc1cccc(-c2ccccc2)c1 495481184 SDBYTBCZRXMWMJ-UHFFFAOYSA-N 252.317 3.661 30 20 CHED C=CCNC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 505768656 ZNOCLNHMJUINOO-UHFFFAOYSA-N 296.773 3.587 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1ccccc1C 410127281 LCJIBODOQXZXKZ-CABCVRRESA-N 259.393 3.960 30 20 CHED N#CC1CCN(Cc2cc(Cl)sc2Cl)CC1 336225708 BIUYQIXWLXISRP-UHFFFAOYSA-N 275.204 3.790 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)C[C@H](C#N)CCC#N 72589843 GTARWICGYCIOPU-INIZCTEOSA-N 283.419 3.859 30 20 CHED C[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 131261862 KJFFOLHQCYIOGC-LBPRGKRZSA-N 281.315 3.682 30 20 CHED C[C@H](NCCC1CC(F)(F)C1)c1ccc(C#N)cc1 453443394 XNUNEDPFKFVBGV-NSHDSACASA-N 264.319 3.644 30 20 CHED CC(C)(C#N)CCCOc1cccnc1Br 83641244 OWVQEVWFOHURGM-UHFFFAOYSA-N 283.169 3.553 30 20 CHED CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccccc1 87824151 GJDBTIOOGQXPNX-QGZVFWFLSA-N 280.371 3.808 30 20 CHED CCCCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 505504977 CVWREOXSPHHDEP-NSHDSACASA-N 285.174 3.864 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)c1cccc(N2CCCC2)c1 88759016 IYKAPVOOAPZGHH-AWEZNQCLSA-N 292.386 3.727 30 20 CHED C#Cc1cccc(NCc2ccc(OCC=C)c(OC)c2)c1 130504966 RDEZWXQUZLPZKN-UHFFFAOYSA-N 293.366 3.853 30 20 CHED CCCCN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193058518 ZGDPXKMDGXHCIQ-UHFFFAOYSA-N 273.380 3.752 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1ccccc1)C2=O 48985769 PJGPFTGJEAHSOF-GDNBJRDFSA-N 264.324 3.962 30 20 CHED CCC(=O)c1ccc(OCCCC(C)(C)C#N)cc1 87598911 BHNYKNFXAUDZRE-UHFFFAOYSA-N 259.349 3.988 30 20 CHED N#Cc1ccnc(SC[C@H]2CCC3(CCCCC3)O2)c1 191823383 GSGQTPIHFAYXAN-CQSZACIVSA-N 288.416 3.927 30 20 CHED C#CCCCC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 192038610 ISOKWMJLGRRDPN-LLVKDONJSA-N 283.293 3.686 30 20 CHED C[C@H](CC1CC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 132869812 MJEXKCBYAUMYAE-CJNGLKHVSA-N 285.391 3.519 30 20 CHED CCC(CC)[C@@H](CCNCc1ccc(C#N)c(F)c1)OC 421339993 HRVKHDFIMBUBPM-QGZVFWFLSA-N 292.398 3.628 30 20 CHED C=C(C)C[C@H](C)c1nc([C@H](C)c2nccs2)no1 424351481 DJDQTJWUAIPVIC-UWVGGRQHSA-N 263.366 3.748 30 20 CHED C#CCCCC(=O)Nc1ccccc1SC[C@H](C)C#N 192291120 JPOUBZXQGUQASZ-CYBMUJFWSA-N 286.400 3.680 30 20 CHED COc1ccc(CN(C)CCCC(C)(C)C#N)cc1C 174845625 SQTTXAHWULKALE-UHFFFAOYSA-N 274.408 3.765 30 20 CHED CC(C)c1ccccc1NC(=O)c1ccccc1OCC#N 194074943 QNFKOSCSKZORHH-UHFFFAOYSA-N 294.354 3.965 30 20 CHED CCc1sc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1C 41521520 GFOGWFWKLILNAI-SNVBAGLBSA-N 290.413 3.874 30 20 CHED C=CCC1(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CCC1 190513510 NRPJJAPRXCUCRZ-LBPRGKRZSA-N 273.380 3.539 30 20 CHED Cc1ncc(CSc2ccc(C#N)cc2Cl)cn1 335828766 HQSQBEXMAZENLC-UHFFFAOYSA-N 275.764 3.602 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(-c2ccccc2C)nn1C 424697002 APKBHKUXXZVKOZ-UHFFFAOYSA-N 297.402 3.936 30 20 CHED CC[C@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191869 NVQNBRPDVJJRRP-QMMMGPOBSA-N 270.254 3.562 30 20 CHED C[C@@H](C1CC1)N(C)Cc1cc(C#N)ccc1Br 191773355 NMYKMZRXVKJQRA-JTQLQIEISA-N 293.208 3.551 30 20 CHED C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C[C@H](C)C1 332346724 ORVBUJNBLDPBQS-RBSFLKMASA-N 299.418 3.697 30 20 CHED CC[C@H]1OCCC[C@H]1C(O)=Nc1cnc2c(c1)CCCC2 330303853 KBFFDWWZJGULJA-GDBMZVCRSA-N 288.391 3.754 30 20 CHED COC1([C@@H](C)NCC(C)(C)CCC#N)CCCCC1 421858196 QWBUOXJTLYHOCM-CQSZACIVSA-N 266.429 3.644 30 20 CHED Cc1oc(C#N)cc1C(=O)NCCCCC1CCCC1 331697755 ZDQGCXLGTMTDCI-UHFFFAOYSA-N 274.364 3.550 30 20 CHED C[C@@H]1C[C@]1(NCc1ccc(C#N)cn1)c1ccc(Cl)cc1 518996073 RZWLTLHRGUKCKZ-SJKOYZFVSA-N 297.789 3.632 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 97147129 IVTWQCARNNBRLT-BAQGIRSFSA-N 289.237 3.769 30 20 CHED C=CCC[C@H](N[C@@H]1CCCc2cc(N)ccc21)C1CC1 423364993 ZOHPEAFKJCJERN-ZWKOTPCHSA-N 270.420 3.981 30 20 CHED Cc1ccc2c(c1)CN(C(=O)[C@@H](C)c1cccc(C#N)c1)C2 336508082 AUBMBUPJPCQXQP-AWEZNQCLSA-N 290.366 3.513 30 20 CHED C=CC(C)(C)CNC(=O)c1c(C)cccc1Br 385044940 PEOOEDYOZQBZLI-UHFFFAOYSA-N 296.208 3.700 30 20 CHED CCC1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCC1 516161275 MSZDMEWDHCJMJH-JKSUJKDBSA-N 282.387 3.501 30 20 CHED C=CCCC1(C(=O)NCC2CCC(F)(F)CC2)CC1 337329419 SOZCAFGBJXWCEL-UHFFFAOYSA-N 271.351 3.675 30 20 CHED CC1(C)CC(NCC#Cc2ccc(C(F)(F)F)cc2)C1 433283512 CMRRUODOARVVHT-UHFFFAOYSA-N 281.321 3.835 30 20 CHED C=C(CN[C@@H]1CCC[C@H](SC)C1)c1ccccc1 235134957 ADMYHHXJWNLRAV-CVEARBPZSA-N 261.434 3.964 30 20 CHED CCC1(C/N=C(/O)N[C@@H]2CCO[C@@H](C(C)C)C2)CCCC1 330629753 NNWLLXWIZVEUNL-HUUCEWRRSA-N 296.455 3.664 30 20 CHED C=CC1CCN(Cc2ccc(O)c3nc(C)ccc23)CC1 338311794 CSGMQEMHJOJAND-UHFFFAOYSA-N 282.387 3.647 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 528740170 PODPSHWRCMBRQB-NVXWUHKLSA-N 298.430 3.796 30 20 CHED Cc1cccc(C)c1NC(=O)CNc1cccc(C#N)c1C 431319772 UWFVTPZPEGGVGS-UHFFFAOYSA-N 293.370 3.534 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 528578827 DODCQBQGTJRJHE-HOCLYGCPSA-N 284.403 3.721 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1cccc(Cl)c1 249875510 LMRRTLXEKXYFLW-NWDGAFQWSA-N 250.773 3.883 30 20 CHED C=C(CNC(=O)c1cnc(C(C)C)s1)c1ccccc1 345834346 HPMDHSGTPULGLJ-UHFFFAOYSA-N 286.400 3.710 30 20 CHED CC1(C)C[C@@H]1CNCc1cccc(OCCCC#N)c1 344412434 SKJLHZRQBUYHBS-OAHLLOKOSA-N 272.392 3.505 30 20 CHED C=CCOCCCN1CC[C@H](c2cccc(Cl)c2)C1 433298681 PHLOQDUIPLGNRA-HNNXBMFYSA-N 279.811 3.722 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 249462966 RIWBDLDRWDNPQY-UHOSZYNNSA-N 298.430 3.700 30 20 CHED Cc1ccc(C[C@@H](NCC2(CC#N)CC2)C(C)C)cc1 430743707 PJXGUZJHDINWMX-QGZVFWFLSA-N 270.420 3.846 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1nccs1 438310022 YOHZMEHRUNFNTD-UHFFFAOYSA-N 275.373 3.768 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(COC(C)C)cc2)n1 341843460 RRAAREOSMHGOEV-UHFFFAOYSA-N 281.359 3.930 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)c1ccccn1 252613750 JDSDAPMFXLXKHN-UHFFFAOYSA-N 283.334 3.934 30 20 CHED CCC[C@@H](C#N)NC(=O)CSc1ccc2ccccc2c1 522236697 KQBBHORNWCTJOD-HNNXBMFYSA-N 298.411 3.740 30 20 CHED CN(C(=O)c1ccccc1Cl)c1ccc(C#N)cc1F 608799004 OLHNEMGHMBQWED-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)cc1 609034396 TYRRCXMTWDJQDR-DOTOQJQBSA-N 284.403 3.893 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N(CC#N)c2ccccc2)C1(C)C 604517864 VLHPGFHSXHCJAZ-HOTGVXAUSA-N 282.387 3.782 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N1CC2(CCCC2)c2c(F)cccc21 448847617 LSYOFAMNJMEGHN-KZULUSFZSA-N 298.361 3.534 30 20 CHED COc1cccc([C@H]2C[C@H](NCc3ccc(C#N)cc3)C2)c1 449615304 KYBGZJMNUIXVEY-IYARVYRRSA-N 292.382 3.603 30 20 CHED Cc1ccc([C@H](NC[C@@H](C)CCC#N)C2CC2)cc1 602509949 IIKRHDQLMMUSNJ-YOEHRIQHSA-N 256.393 3.976 30 20 CHED COc1cc2nc(C)sc2cc1N[C@H]1CC[C@@H](C#N)C1 442833248 BQPJXYKPNLJVEN-MNOVXSKESA-N 287.388 3.718 30 20 CHED C=CCC[C@@H](NC(=O)c1ccncc1C)c1ccccc1 350634328 WJSZYMVFAMBQQP-QGZVFWFLSA-N 280.371 3.827 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(OCC#N)cc1 264540343 HFPSEQSYKVGLJI-PBHICJAKSA-N 272.392 3.599 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 606697541 LDSDWABSCOAILJ-QZTJIDSGSA-N 298.430 3.781 30 20 CHED C=CC[C@@H](CO)CNC(=O)[C@H](CC1CCCCC1)C(C)C 537119514 QWZRFUMERCYADY-IAGOWNOFSA-N 295.467 3.530 30 20 CHED Cc1ccc(C)c(N(Cc2ccc(C#N)cn2)C(C)C)c1 618904838 BVPXVGOKUWAIRF-UHFFFAOYSA-N 279.387 3.985 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1C 539812144 JITWVKAWZBMTFV-HEHGZKQESA-N 272.392 3.574 30 20 CHED C[C@H](CCc1ccccc1)CNCc1cccc(C#N)c1 539462232 GAMHTYKMQNTYCU-MRXNPFEDSA-N 278.399 3.917 30 20 CHED N#CCCCN(Cc1ccc(F)cc1Cl)CC1CC1 352543980 MAXPZKDRRUABND-UHFFFAOYSA-N 280.774 3.995 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(CC(F)(F)F)c2)C1 532332544 SMXJYFYJUGEUGA-UHFFFAOYSA-N 296.292 3.670 30 20 CHED C=CCCC1(C(=O)Nc2cccc(N(C)C)c2C)CC1 356672405 JZNYOWUMBLIVKZ-UHFFFAOYSA-N 272.392 3.746 30 20 CHED C=CCC[C@@H](CCC)N[C@H]1CCOC2(CCC2)C1 539060008 MDYAIJVIRHJPOL-CABCVRRESA-N 251.414 3.813 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)C1CCC(C)CC1 538363918 BJRDIUZXBHBYLL-SLTAFYQDSA-N 266.429 3.951 30 20 CHED Cc1ccc2oc(S[C@H](C#N)Cc3ccccc3)nc2n1 612030391 TYPVEBWMUHSEPN-ZDUSSCGKSA-N 295.367 3.758 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC1CC(C)(F)C1 455136120 JNFJHLVJGWMIEB-UHFFFAOYSA-N 290.382 3.665 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@H]1CC[C@H](SCC)C1 458807961 HOTMHMNVMBXLOJ-KBPBESRZSA-N 298.496 3.904 30 20 CHED C[C@H](CCCc1cccnc1)NCc1cccc(C#N)c1F 453214381 JPZQTZSWPBIHHI-CQSZACIVSA-N 297.377 3.593 30 20 CHED CCC(CC)N(Cc1ccc(C#N)cc1OC)C1CC1 534309697 SNRSYHRUVHIBOS-UHFFFAOYSA-N 272.392 3.720 30 20 CHED N#Cc1cccnc1N[C@H](c1ccccc1)C1CCOCC1 369344849 IVXIELRQYAPWBS-QGZVFWFLSA-N 293.370 3.533 30 20 CHED Cc1ccc(CCCNCc2cccc(C#N)c2)c(C)c1 611583214 RPDQAEDUZWUMQP-UHFFFAOYSA-N 278.399 3.898 30 20 CHED CC(C)(C#N)CCCN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 452040438 AMTDNUUKRZZMEA-JYYAWHABSA-N 260.425 3.684 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(CCC)on2)CCCC1(C)C 451221074 YNGVQPBGKLGMFI-HNNXBMFYSA-N 290.407 3.834 30 20 CHED Cc1cccc2c(N3C[C@H]4[C@H](C3)C4(C)C)c(C#N)cnc12 610282072 KTABYSBWTQVXAU-GJZGRUSLSA-N 277.371 3.507 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(C(C)(C)C2CCCCC2)no1 453164051 PVESBFORSZNNNI-MEDUHNTESA-N 273.380 3.729 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CCN3CCC[C@H]3C2)c1 272894511 OMBBRUSNQNWOIS-SJORKVTESA-N 286.419 3.680 30 20 CHED C=CCCc1noc(CCCOc2ccc(Cl)cc2)n1 453248383 QJNVQKCUVSIIEH-UHFFFAOYSA-N 292.766 3.853 30 20 CHED C=C(C)CCNC(=O)NC1(c2cccc(Cl)c2)CC1 458990433 BQVQHHKEOWNOIT-UHFFFAOYSA-N 278.783 3.595 30 20 CHED CS[C@H](CN=c1ccc2cc(C#N)ccc2[nH]1)C(C)(C)C 541275918 FMKUPGOOJDYRBZ-OAHLLOKOSA-N 299.443 3.718 30 20 CHED CC1(C)Cc2cccc(N[C@@H]3CCC[C@H](C#N)C3)c2O1 618577399 GAWUDULXTCYDKV-GXTWGEPZSA-N 270.376 3.894 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC[C@H](C)c1ccccc1 275382817 BPBOTNMOJRUYCE-MAUKXSAKSA-N 289.419 3.525 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 274852116 RDXMLGRTIDJKTC-CYBMUJFWSA-N 272.392 3.652 30 20 CHED CC(C)(C#N)CCCCN1Cc2cccc(F)c2C1 459757398 RYLSYFZSWCAIEW-UHFFFAOYSA-N 260.356 3.861 30 20 CHED Cc1cccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c1Cl 274355412 SAICAQWDBDMCJZ-HNNXBMFYSA-N 278.783 3.707 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCc1ccncc1 360656545 IPXGACBFYWYKQH-IBGZPJMESA-N 291.398 3.553 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1c[nH]c2cc(F)ccc12 277004639 ZYOQBQMYNBOIBY-KRWDZBQOSA-N 288.366 3.568 30 20 CHED C=CC(C)(C)CNC(=O)N(CC)Cc1ccccc1C 455360657 CNBWKVRJNMITBW-UHFFFAOYSA-N 274.408 3.739 30 20 CHED C=C(C)C[C@H](C)C(=O)N1[C@@H](C)COC[C@@H]1c1ccccc1 373359529 GKXKSTQLRXQWPG-YQQAZPJKSA-N 287.403 3.577 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc(F)c(F)c1)C(C)(C)C 622943810 RSGCDQJDVFWONP-NSHDSACASA-N 297.345 3.545 30 20 CHED C[C@H](NCC1(C2CC2)CC1)c1ccc(C#N)c(F)c1 271951120 OVUVXKPSZFTGMS-NSHDSACASA-N 258.340 3.538 30 20 CHED C=C[C@H](C)NC(=O)c1sc(-c2ccccc2)cc1OC 465148279 HLGKBMSPEZBAGS-NSHDSACASA-N 287.384 3.728 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccccc1C 281187158 ZITZZHGXSXLPPT-CWRNSKLLSA-N 257.377 3.569 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCCCN1CCCC 467817944 UOTQKQPEDSVPQU-KRWDZBQOSA-N 292.467 3.526 30 20 CHED C=C[C@H](C)NC(=O)COc1ccc(Cl)c2ccccc12 465101336 FSMBSIRBHYWOTE-NSHDSACASA-N 289.762 3.563 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 469751450 ISMNGYHMZJQOQN-OLZOCXBDSA-N 295.810 3.968 30 20 CHED C[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1cc2ccccc2o1 464170508 XGASGNAHNWAMHU-SGTLLEGYSA-N 298.386 3.981 30 20 CHED N#CC1(CN(CCc2ccc(Cl)cc2)CC2CC2)CC1 553277110 AFWZLMHZVRNDIL-UHFFFAOYSA-N 288.822 3.898 30 20 CHED CN(CC1(CC#N)CC1)[C@]1(c2ccccc2)CCCCC1=O 639600829 LPQZKKQUUGPBPM-IBGZPJMESA-N 296.414 3.651 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(Cl)cc1C 299305780 LJCCLNCBMKNQFM-LLVKDONJSA-N 267.756 3.568 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2cc3ccccc3s2)nn1 806572439 FZJBOEYIBYRACU-FPLPWBNLSA-N 297.383 3.970 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(CC(F)(F)F)c1 806313173 ITKFNCJKJUCXHS-GFCCVEGCSA-N 298.308 3.715 30 20 CHED C[C@H](C#N)OCCOc1ccccc1Cc1ccccc1 802724549 CZTLYOCIXZIGFH-OAHLLOKOSA-N 281.355 3.585 30 20 CHED CC[C@@H]1CN(CCCC#N)CC[C@@H]1c1ccccc1 472251822 VRGLBHRHSNRLHG-WBVHZDCISA-N 256.393 3.806 30 20 CHED C[C@H](C#N)OCCSCc1ncc(Cl)cc1Cl 802752689 SLYSZSGFRFSVPO-MRVPVSSYSA-N 291.203 3.550 30 20 CHED C=CCCCCCCCCNc1ncnc2nccnc12 806557633 GYJOOOMOSBBRON-UHFFFAOYSA-N 285.395 3.748 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(N(C)C(=O)NCC)c1 475509306 FXWQQGISTBFRJP-ZIAGYGMSSA-N 289.423 3.865 30 20 CHED C[C@H]1CC[C@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 565053855 JSLZLPGZEYSUBE-YEWWUXTCSA-N 296.414 3.878 30 20 CHED C=CCC(C)(C)C(=O)NCc1coc(-c2cccs2)n1 292325217 RODWYZYPIWRTTF-UHFFFAOYSA-N 290.388 3.622 30 20 CHED C=C(C)Cn1c(C)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 292745448 AJZXPTVRTSNTJC-WMLDXEAASA-N 296.418 3.545 30 20 CHED C=CCCCCCCNC(=O)c1cccc(C)c1[N+](=O)[O-] 805218544 DABQBIMCQQYXBZ-UHFFFAOYSA-N 290.363 3.770 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@@H](C)C(C)C 807571883 RXDLAXVUFFYYIC-AWEZNQCLSA-N 254.418 3.809 30 20 CHED CCCC[C@@H](S[C@H](C#N)c1ccccc1)C(=O)OC 568270438 FJFMVRNHYINFRP-ZIAGYGMSSA-N 277.389 3.716 30 20 CHED COc1ccc2cc(CN(C)[C@@H](C)CCC#N)ccc2c1 297713629 BLUPQRKWHWBTDN-AWEZNQCLSA-N 282.387 3.972 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2oc(C)cc2C)cc1 568172880 CUTJFVXTISVRAF-INIZCTEOSA-N 296.370 3.796 30 20 CHED Fc1ccc(C(C[C@@H]2CCCO2)=NOCC2CC2)cc1 814243781 NCNJVJBDEWDKDY-HNNXBMFYSA-N 277.339 3.526 30 20 CHED CCOc1ccc(NN=Cc2ccccc2F)cc1 814984609 DCWMWFFQBBMYTB-UHFFFAOYSA-N 258.296 3.670 30 20 CHED Cl/C=C\CON=Cc1c[nH]nc1-c1cccc(Cl)c1 811668763 JPUXIFZRUADBPM-IBVYVQQQSA-N 296.157 3.833 30 20 CHED CCc1ccc(N(C(=O)CC(C)(C)C#N)C(C)C)cc1 813259655 QWBUPJDOVGFCKI-UHFFFAOYSA-N 272.392 3.930 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NOC2CCCC2)C1 814893990 HGZBQBBLOULTES-CYBMUJFWSA-N 281.396 3.835 30 20 CHED CCCCCC[C@@H](C)NN=C[C@](C)(OC)C1CC1 814858981 KSRGYECTIBTSBI-HIFRSBDPSA-N 254.418 3.736 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1csc(C(=O)O)c1 814815046 KWFKXVCURHHIPK-SNVBAGLBSA-N 288.372 3.521 30 20 CHED C=C[C@@H]1CCCCN1C(=O)COc1ccc(Cl)cc1C 488835105 YKCGMYJKGNZGBX-CQSZACIVSA-N 293.794 3.594 30 20 CHED CC#CCN(C)C(=O)C(C)(C)c1ccc2ccccc2c1 647541450 RDVYBSZJMVIVEB-UHFFFAOYSA-N 279.383 3.599 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1 814683202 ZATOZGDASYBQTR-ZDUSSCGKSA-N 286.335 3.713 30 20 CHED CCc1ccc(C#CC(=O)Nc2nc(C3CC3)cs2)cc1 814614358 ZEGSPFNNZKSWNF-UHFFFAOYSA-N 296.395 3.573 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(-c2ccccn2)cc1 810335905 USAFVTFRKOHKSG-HNNXBMFYSA-N 293.370 3.672 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1CCCCC 489053831 XFEZGPDHBCNOLG-HNNXBMFYSA-N 274.408 3.859 30 20 CHED Cc1cccc(NN=Cc2cccc(C(=O)O)c2Cl)c1 814687178 BBBBDNSIYNGPHA-UHFFFAOYSA-N 288.734 3.793 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cn(C)nc1C(F)F 812243350 JZOYLNDTMYFECO-ARJAWSKDSA-N 282.315 3.624 30 20 CHED CC(=NOCC1CC1)c1cc(C)c(Br)s1 814244106 ZQMFTSSAUDGUEY-UHFFFAOYSA-N 288.210 3.970 30 20 CHED C#CCOc1ccccc1CNc1cc(C2CC2)ccn1 810175855 QOASWERXMKIIAY-UHFFFAOYSA-N 278.355 3.583 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc2oncc2c1 814884937 FFPFXJMZQNREET-UHFFFAOYSA-N 269.279 3.721 30 20 CHED CC#CCN(C)C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 819249347 JQDSSMXJPJYMCW-ZRDIBKRKSA-N 295.304 3.590 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)C1CCC(CCC)CC1 483088293 MGJFUNHVPSDTAN-QQFBHYJXSA-N 281.440 3.785 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)c2ccccc2)cc1 576787411 YNMYYBRNHYAFFZ-RDTXWAMCSA-N 292.382 3.734 30 20 CHED N#CCc1c[nH]c2ccc(-c3ccccc3C(=O)O)cc12 579843672 QHGMNEURHZSNTL-UHFFFAOYSA-N 276.295 3.599 30 20 CHED CC(C)[C@H]1N(C(=O)/C=C/c2ccccc2C#N)CC12CCC2 814135660 LVXJFOYFPIAVHD-GFOMBABLSA-N 294.398 3.609 30 20 CHED Cc1ccc(N(C)[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)cc1 815090263 IEYMGGMKVHBOPY-QXAKKESOSA-N 297.446 3.588 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@@H](F)C1)c1ccccc1 577120058 UUKMTOCIPBFWDD-HZPDHXFCSA-N 275.367 3.697 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1cc(C)oc1C 726739207 GAHAFRZSRHJOGX-UHFFFAOYSA-N 296.330 3.783 30 20 CHED C=C[C@H](CC(=O)N1Cc2ccccc2CO1)c1ccccc1 577413745 BNQNCRKFQJZSGO-OAHLLOKOSA-N 293.366 3.820 30 20 CHED Cc1cccc(C[C@H](NCC2(C#N)CCC2)C2CC2)c1 828802880 SUDOQMDFNQEOEM-KRWDZBQOSA-N 268.404 3.600 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccnn2CCC)c1 668031946 NLKDHHUBFYKFCO-UHFFFAOYSA-N 299.374 3.500 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@H](C)CC(F)(F)F 665145168 OBXPCLQJPIZBAB-SNVBAGLBSA-N 280.334 3.619 30 20 CHED C[C@@H](OC(=O)/C=C\c1cccs1)c1cccc(C#N)c1 727640793 UDAPEQUUDGWBIH-QDZRJHCZSA-N 283.352 3.937 30 20 CHED CCC[C@H](C#N)NC(=O)CCSc1cccc(Cl)c1 581035284 NGAQINOETAOOLP-GFCCVEGCSA-N 296.823 3.631 30 20 CHED N#CC1(CCCCn2cc(-n3cccc3)cn2)CCC1 902715165 OAWAKWXFXRZLDY-UHFFFAOYSA-N 268.364 3.538 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2ccc(Cl)cc2F)o1 588534346 WTWZTQBUNKBHCP-UHFFFAOYSA-N 298.657 3.531 30 20 CHED C=CCN(Cc1ccn(CCc2ccccc2)n1)C(C)C 827438003 GHFBYFOPCKTLAU-UHFFFAOYSA-N 283.419 3.522 30 20 CHED N#CC1(CCCCOc2cccc(-c3nnco3)c2)CCC1 901461038 IULACNVSZMOYJS-UHFFFAOYSA-N 297.358 3.980 30 20 CHED Cc1nc(N2CCc3cc(F)ccc3[C@@H]2C)ccc1C#N 589864707 VTOKIVAODNCSSQ-LBPRGKRZSA-N 281.334 3.525 30 20 CHED C=CCCCN(CC)Cc1c(C(=O)O)oc2ccccc12 903960929 HYDWZNICIBJNHR-UHFFFAOYSA-N 287.359 3.919 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)C#Cc1cccs1)C1CC1 825487783 YGNRPLSFVPHUEU-AWEZNQCLSA-N 295.407 3.852 30 20 CHED C=C(Cl)CNC(=O)C1(c2cccc(F)c2)CCCC1 736240601 OINQFGNFDHNTCY-UHFFFAOYSA-N 281.758 3.506 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2cn(C)c3ccccc23)cn1 732714418 ROJINWUCDDSCJL-CMDGGOBGSA-N 293.370 3.852 30 20 CHED CC(C)(C)C#CC(=O)Nc1cc(C(C)(C)C)ccc1O 837488431 RPFRQMGXCRUGGL-UHFFFAOYSA-N 273.376 3.678 30 20 CHED O=C(C#CC1CC1)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 837693772 WITADTIKXLUIAI-GDBMZVCRSA-N 287.790 3.506 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2ccc(C#N)c(Cl)n2)C1 839442445 RAFUWKCEEPJTNB-NSHDSACASA-N 292.766 3.732 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccccc1Cn1ccnc1 584746809 NGBSMCBEUCLTKM-HZPDHXFCSA-N 283.419 3.622 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@H](OC)[C@@H](C)C1 836463327 WYYZFFIJEWGIGG-HOTGVXAUSA-N 296.455 3.579 30 20 CHED COCc1ccc(Sc2nc(C)ccc2C#N)cc1 587990496 PKUXTMVJLZKWAU-UHFFFAOYSA-N 270.357 3.559 30 20 CHED c1nc(NN=C2CCCC23CCC3)c2sccc2n1 834962114 BJJKVEDDBKNUIQ-UHFFFAOYSA-N 272.377 3.813 30 20 CHED CC(C)(C)C1CCC(CC(=O)NCC2(C#N)CC2)CC1 583122082 SQTUSTLBZOSKFT-UHFFFAOYSA-N 276.424 3.649 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1cnc2ccsc2c1 739401505 KSVGDROGFYIMQD-UHFFFAOYSA-N 297.387 3.539 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1c(C)oc2ccccc12 834973810 QPPQCECSYBNNDB-CYBMUJFWSA-N 273.332 3.518 30 20 CHED CSC(C)(C)C(=O)OCCCCC1(C#N)CCC1 909431540 CREAJCRWDGDGDM-UHFFFAOYSA-N 269.410 3.535 30 20 CHED C=CCCOc1cccc(N=S2(=O)CCCC2)c1 902478109 JGBGHAKPYVADBV-UHFFFAOYSA-N 265.378 3.535 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(C)cc2OC)c1C 834420630 JGLSIABZFFXGBM-MDZDMXLPSA-N 298.386 3.733 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 835173159 ODOWUOCRUUDBRM-MCIONIFRSA-N 295.386 3.874 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(C)C 733095101 WHPRYLQAODCCBW-LLVKDONJSA-N 299.773 3.669 30 20 CHED CC(C)NC(=S)Nc1ccccc1S[C@H](C)CC#N 731322348 XXJUHCIHECBFGM-LLVKDONJSA-N 293.461 3.776 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2snc(Cl)c2C#N)C1 739898751 DXJDIJLBFKFJLR-BRPSZJMVSA-N 269.801 3.905 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 836653007 DFAKHFNXPVNCIV-OAHLLOKOSA-N 294.345 3.778 30 20 CHED CCO[C@H]1CC(=NNc2cc(F)cc(F)c2)C1(C)C 736429566 BAAUDNBUJSAGAH-ZDUSSCGKSA-N 268.307 3.568 30 20 CHED N#CC1(CCCN2CCCCCCCC2)CCOCC1 831937178 NFYRVWFVKFVZHZ-UHFFFAOYSA-N 278.440 3.743 30 20 CHED CC(CCCc1cccnc1)=NN[C@@H](C)C(C)(C)C 834981254 KWOBFYLXGMYZST-AWEZNQCLSA-N 261.413 3.804 30 20 CHED C#CCCCCCC(=O)NCC[C@H]1CCc2ccccc21 833398328 DVBRUIMSJKBACO-QGZVFWFLSA-N 283.415 3.806 30 20 CHED COCCCCNc1cccc(C#Cc2cccs2)c1 677652240 XRTWEJRSKSYXFY-UHFFFAOYSA-N 285.412 3.986 30 20 CHED Cc1ccc(C/N=C\c2cc3ccccc3nc2O)cc1 912775557 RYPPLQGMAYAYJP-UNOMPAQXSA-N 276.339 3.868 30 20 CHED CCC(C=NOC(C)C)(CC)CNC(=O)OC(C)(C)C 835001847 KJZCMJHHOJZRRV-UHFFFAOYSA-N 286.416 3.728 30 20 CHED CC1=CC(=NNc2ncnc3sc(C)c(C)c23)CC1 916309475 LBHALSFSDAGULJ-UHFFFAOYSA-N 272.377 3.816 30 20 CHED C[C@H]1SCC[C@@H]1Nc1cc(C#N)ccc1C(F)(F)F 592000491 ABEIREJYTSTZKG-KCJUWKMLSA-N 286.322 3.883 30 20 CHED C(=NNc1nc2ccccc2s1)c1c[nH]c2ncccc12 741760271 VYSUCTOXBIBHOB-UHFFFAOYSA-N 293.355 3.619 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1Br)C1CC1 595766389 URZZKZSFEZYHFL-CQSZACIVSA-N 293.208 3.599 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(C)[C@@H](C#N)CC)cc1 594089588 PPXPWGGOIDSNJQ-CZUORRHYSA-N 272.392 3.503 30 20 CHED CC(C)[C@@H](C(=O)Oc1ccc(C#N)cc1)c1ccccc1 744017270 BKPREEIZOYZFCO-QGZVFWFLSA-N 279.339 3.903 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N 598586872 JOEQRELWGGNYCK-RDJZCZTQSA-N 288.435 3.588 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](CN(C)CC)C1 742915467 LTVOCJDGTDCDOW-INIZCTEOSA-N 282.472 3.537 30 20 CHED C=CCN(C(=O)[C@H](C)c1cccc(Cl)c1)C(C)C 741900306 XQCVKJXKXXXCNC-GFCCVEGCSA-N 265.784 3.867 30 20 CHED C[C@H](C=NNc1ncnc2sccc12)c1ccccc1 916367877 AFBIOXSKSPPHEX-LLVKDONJSA-N 282.372 3.893 30 20 CHED Cc1ccc(C=NN[C@H](C)C(F)(F)F)c(Cl)c1 844601628 SYFKQYLTQMHCKE-MRVPVSSYSA-N 264.678 3.523 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@@H](C)C2)o1 745624970 QQBLDONZQFQYBS-SNVBAGLBSA-N 260.341 3.648 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN([C@@H]1CC[C@H](C#N)C1)CC3 590166002 LIFGWPPBSBLVAB-UONOGXRCSA-N 279.387 3.527 30 20 CHED C=C(C)CCOC(=O)c1cc(-c2cccc(F)c2)no1 744303871 BUNSYJOYKRIKCN-UHFFFAOYSA-N 275.279 3.604 30 20 CHED C#CCN(CC)C(=O)Nc1cccc(Oc2ccccc2)c1 749227918 LFUQMQTZJLNCMY-UHFFFAOYSA-N 294.354 3.966 30 20 CHED COC(=O)/C=C/c1ccc(/C=C2/CCCC(C)(C)C2=O)o1 848640165 IKRQQKGGCJRJBP-UPDVNHGHSA-N 288.343 3.628 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N(C)[C@H](C)CC#N 599329148 FUHBNLYZAZIIQJ-GFCCVEGCSA-N 282.343 3.629 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(OCC3CC3)cc2)no1 844549509 FBHINCVAAHDIPZ-RMKNXTFCSA-N 283.327 3.668 30 20 CHED C[C@@H](OC(=O)c1ccccc1CC#N)c1cccc(F)c1 919034760 QMWLRQGRKRTIGK-GFCCVEGCSA-N 283.302 3.810 30 20 CHED C=C(C)CCOC(=O)C[C@H](C)c1ccccc1F 744303018 LHIBZFBFYBIWIW-LBPRGKRZSA-N 250.313 3.829 30 20 CHED C#C[C@@H](OC(=O)c1c(C)noc1C1CC1)c1ccc(F)cc1 842409210 ZHYGTNRYLFVFLR-CQSZACIVSA-N 299.301 3.531 30 20 CHED Cc1ccc(NN=Cc2cccc3c2OCCCO3)cc1 917530927 JIKOYKBYYHQQGK-UHFFFAOYSA-N 282.343 3.602 30 20 CHED Clc1cccc([C@H]2CCC(=NNc3cncnc3)C2)c1 841637056 PRBFAGCOPMVOPQ-LBPRGKRZSA-N 286.766 3.866 30 20 CHED CCCCCCCOC(=O)c1sccc1C#N 748096912 XSPBGTUBVIGYES-UHFFFAOYSA-N 251.351 3.747 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)CC1 597545581 QOHSPROCONHMSR-CABCVRRESA-N 276.424 3.936 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 596725630 KCCUBJOPMOUYEJ-LBPRGKRZSA-N 287.338 3.517 30 20 CHED C=C(C)CCOC(=O)c1cc(SC)ccc1C 744302822 ATTPWIVRHSGSBB-UHFFFAOYSA-N 250.363 3.840 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C(C)C)nc2O)n1 924080227 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C=C(C)[C@@H](CC(=O)O[C@H](C)c1ccc(F)c(F)c1)OCC 756475030 AAOYUHNHOXXOIV-IAQYHMDHSA-N 298.329 3.940 30 20 CHED C=C[C@H](CC)CC(=O)N(CC)[C@H](CC)c1ccncc1 933345552 ROFVENNYWKRXLB-GDBMZVCRSA-N 274.408 3.984 30 20 CHED C#CCCCC(=O)O[C@H](CC)C(=O)c1ccc(Cl)cc1 759177116 YQFMESNGFIADRX-CQSZACIVSA-N 292.762 3.648 30 20 CHED Clc1cc(NN=Cc2nc3c(s2)CCCC3)ccn1 853395412 WCHTYFDFGDPFJT-UHFFFAOYSA-N 292.795 3.516 30 20 CHED CC(=NNc1cccc(C#N)c1)c1cc(F)cc(F)c1 755892840 RXQBGBLKOJWMFH-UHFFFAOYSA-N 271.270 3.673 30 20 CHED CC(C)(CC#N)CN[C@H]1CCCc2c(F)cccc21 866373100 VITUKWGOIRVTQD-HNNXBMFYSA-N 260.356 3.733 30 20 CHED N#C[C@H](OC(=O)c1ccc(O)c(Cl)c1)C1CCCCC1 762829897 LHXNLDPAKLUCMC-AWEZNQCLSA-N 293.750 3.675 30 20 CHED CC1(CCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 932179513 DXPWJQOAAWSBSZ-ZDUSSCGKSA-N 276.767 3.601 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 935307095 FWDYHPPDOSWAPZ-DZGCQCFKSA-N 289.423 3.560 30 20 CHED C#CC[C@@H](NC(=O)N[C@H]1CCC(C)(C)C1)c1ccccc1 768741668 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775180101 VFVHLQQMPKMFLR-NWDGAFQWSA-N 280.209 3.506 30 20 CHED CC(C)(CCC#N)CNc1cc(-c2ccccc2)ncn1 872548129 GLIZPLXJWDWAGS-UHFFFAOYSA-N 280.375 3.885 30 20 CHED C#CCCCCCc1nc(COc2ccc(F)cc2)no1 779744655 ZQMIKMXTHUJNBX-UHFFFAOYSA-N 288.322 3.524 30 20 CHED C=CCN(C(=O)c1nc(-c2cccs2)oc1C)C1CC1 771828091 QVSBCGLUBUNHJF-UHFFFAOYSA-N 288.372 3.502 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 879037348 WZUGICFSLKUWRI-CQSZACIVSA-N 297.402 3.652 30 20 CHED CC1(C)Cc2cc(/C=C/C(=O)c3cscn3)ccc2O1 776193099 OSIAUOCUGFKDKK-HWKANZROSA-N 285.368 3.753 30 20 CHED CO[C@@H](c1ccccc1)[C@@H](C)Nc1ccc(OCC#N)cc1 1119234825 GDAOKJOSZHNSRP-RDTXWAMCSA-N 296.370 3.777 30 20 CHED CCC(CC)CNN=Cc1ccc(OC)c(OC)c1Cl 774461743 JWLXNGKUMNXXNB-UHFFFAOYSA-N 298.814 3.717 30 20 CHED C#CCCCCN[C@@H](C)c1cnn(-c2ccccc2)c1C 773040796 OAPQPDRHPWREAB-HNNXBMFYSA-N 281.403 3.635 30 20 CHED C=C[C@H](COC)NC(=O)[C@@H](CCC)CC1CCCCC1 1116622920 NIOCMWKSWYQWAS-JKSUJKDBSA-N 281.440 3.690 30 20 CHED COCCCC(C)=NN[C@@H](Cc1ccccc1)C(C)C 777448063 LAVSEOBGLMBEPF-KRWDZBQOSA-N 276.424 3.646 30 20 CHED C#CC[C@H](NCc1cccc2nsnc12)c1ccccc1 775400562 PRWXOIPXMFTIMU-HNNXBMFYSA-N 293.395 3.546 30 20 CHED N#C[C@H](OC(=O)/C=C\c1ccccc1)C1CCCCC1 776360620 CIVWHYPIMCMYGW-JNSOCZORSA-N 269.344 3.715 30 20 CHED C[C@@H](OC(=O)C1[C@H]2CCCC[C@H]12)c1cccc(C#N)c1 1127091530 WSVMWPGBLVHGFO-UGFHNGPFSA-N 269.344 3.599 30 20 CHED C=CCCC[C@H](NCc1cc(C)nn1C)c1ccccc1 880389179 DQCLPHXRMPRQBA-SFHVURJKSA-N 283.419 3.916 30 20 CHED CCN(Cc1cn2ccccc2c1C#N)[C@H](C)C(C)C 65299375 XIUUBDQLVBLDGK-CQSZACIVSA-N 269.392 3.677 30 20 CHED Cc1ccc(N(C)Cc2ccc(N(C)CCC#N)cc2)cc1 780768955 IOOOGVDASHURSO-UHFFFAOYSA-N 293.414 3.981 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C=C1CCCCC1 786387031 AWYIMCPECSFQAG-KRWDZBQOSA-N 280.371 3.552 30 20 CHED Cc1ccc(N(CCC(C)(C)C#N)Cc2cnn(C)c2)cc1 886408305 AEQDEIPZQABJJU-UHFFFAOYSA-N 296.418 3.675 30 20 CHED C=C1CCC(C(=O)NCc2ccc(COCC)cc2)CC1 888073553 VVIPIFUKUXUIGY-UHFFFAOYSA-N 287.403 3.586 30 20 CHED COc1cc(N=Cc2cc(Cl)ccc2O)ccc1F 780149268 KLOILICWXZASGE-UHFFFAOYSA-N 279.698 3.944 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NN[C@H]1CCOC(C)(C)C1 780251668 CKFGIGMXEUAENM-QLFBSQMISA-N 280.456 3.982 30 20 CHED C=C1CCC(C(=O)O[C@H](C)c2nc(C(C)C)no2)CC1 885653403 MWWVLPBAZFUIEG-LLVKDONJSA-N 278.352 3.544 30 20 CHED CC(=NNc1nccnc1Cl)C1CCC(F)(F)CC1 788715271 FFHUGQBXTIOXKE-UHFFFAOYSA-N 288.729 3.743 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cnc(Cl)c(C)c1 785853354 UAGHZVJBTPQEDW-GFCCVEGCSA-N 279.771 3.616 30 20 CHED Cc1csc(NC(=O)c2ccc(C(F)F)nc2)c1C#N 1128751947 XDKFMGXHMAXLDU-UHFFFAOYSA-N 293.298 3.513 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N(C)Cc1ccco1 1122573390 MXIRSSBZEDVPRM-UHFFFAOYSA-N 298.390 3.517 30 20 CHED CCS[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)C(C)C 785817492 AYUXZOAWLKUIDB-CQSZACIVSA-N 295.379 3.518 30 20 CHED C#CCSc1ccc(COC(=O)[C@H](C)C2CC2)cc1 788411755 OTFUTALABYBCKJ-GFCCVEGCSA-N 274.385 3.501 30 20 CHED CC1(C)CC(=NNc2ccnc(F)c2)c2ccccc21 781133992 NHNBIMNPPIWQGS-UHFFFAOYSA-N 269.323 3.718 30 20 CHED C=CCC(C)(C)c1noc([C@@](C)(OC)c2ccccc2)n1 896328573 PMMGGMPZCJPDBG-KRWDZBQOSA-N 286.375 3.833 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C/c1ccc2ccccc2n1 785861506 CHQMIPLUJXLIKX-UJGDBWEASA-N 292.382 3.815 30 20 CHED CCOCCON=C[C@@H](C)c1ccc(C(F)(F)F)cc1 789051771 XGBXCVKHQYLCIJ-LLVKDONJSA-N 289.297 3.848 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1c[nH]nc1-c1ccoc1 789084131 VMSFBAXOTITDDR-LLVKDONJSA-N 274.320 3.571 30 20 CHED C#CCCCCCC(=O)OCC(=O)c1ccc(CC)cc1 780254964 KQKWWTNAUSRPNP-UHFFFAOYSA-N 286.371 3.559 30 20 CHED C#CCCCCCC(=O)NCCCn1ccc2ccccc21 780324089 KMPRCYPKCAEAOU-UHFFFAOYSA-N 296.414 3.731 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1O[C@H](C)C#N 785916703 IBCZDSBTCWLPLL-KGLIPLIRSA-N 299.374 3.550 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1C/N=C\c1c(O)ccc2ccccc12 797785066 SLGSOHSGDUZPGA-ONAJGUQWSA-N 295.382 3.946 30 20 CHED COc1ccc(C=NN[C@@H](C)C(C)(C)C)c(Cl)c1OC 793113283 CUTDRPOSYBHOFX-JTQLQIEISA-N 298.814 3.715 30 20 CHED N#CCCCCCC(=O)Nc1nsc2ccccc12 892436838 CLDXAUKETWSAHD-UHFFFAOYSA-N 273.361 3.709 30 20 CHED C#Cc1cccc(N(CC)Cc2oc(CC)nc2C)c1 794413762 XTDPBBFWVJFEAN-UHFFFAOYSA-N 268.360 3.553 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C)c2ncccc12 185148298 WSXGREMMRJNOLJ-UHFFFAOYSA-N 266.344 3.531 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CCC=CO1 795815802 DVXHXZXVDAAZDD-AEFFLSMTSA-N 282.387 3.608 30 20 CHED CC[C@@H](C)NN=Cc1cc(Cl)ccc1OCC1CC1 797403697 VWDPRYBMWUWFDW-LLVKDONJSA-N 280.799 3.851 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2cc(C)ccc2[nH]1 577168655 JCPIEZSSHZPOLX-AWEZNQCLSA-N 268.360 3.657 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)oc1C 799897535 QDVJKCZTTGVQFU-TWGQIWQCSA-N 292.338 3.978 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1Nc1cccc(C#N)n1 556597316 VSHWWYUABADCCX-PXAZEXFGSA-N 263.344 3.689 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 793537711 YRVYUXNOQQVINE-CAOSSQGBSA-N 265.441 3.915 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)[C@@H]1CCCOC1 793553432 MILHYNNFVQLKBA-ARFHVFGLSA-N 253.430 3.916 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(F)ccc2Cl)cc1 76180159 HLUGFUMUCOTLBE-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC[C@H](C)CCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 797045968 VXEHNRKZAPKVMO-AAEUAGOBSA-N 283.375 3.874 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1cn2ccsc2n1 657853469 LOYAPQBWKZPNAK-GXTWGEPZSA-N 275.421 3.620 30 20 CHED CC[C@@H](C)NN=Cc1c(Cl)cccc1OC(F)F 790189877 RUPAOIOLQPOOJJ-MRVPVSSYSA-N 276.714 3.663 30 20 CHED CC[C@@H](C#N)C(=O)N(C)Cc1cccc(Cl)c1Cl 593385663 ASDFDLRLJBCXNV-VIFPVBQESA-N 285.174 3.502 30 20 CHED CC1(C)CCCC[C@@H]1NCc1ccc(OCC#N)cc1 94322996 CKDAKRALACQZLG-INIZCTEOSA-N 272.392 3.647 30 20 CHED CC[C@@H](Nc1cc(C#N)nc(C)n1)C(C)(C)c1ccccc1 1307069126 PJIWSQDCLWXNKT-MRXNPFEDSA-N 294.402 3.825 30 20 CHED N#Cc1ccc(CSc2ncnc3ccccc23)s1 1307255415 HAMYTAUVEZHRJE-UHFFFAOYSA-N 283.381 3.855 30 20 CHED CN(Cc1cccc(C#N)n1)Cc1cccc2ccccc12 1232925072 LBIHTWNMQVVBGC-UHFFFAOYSA-N 287.366 3.738 30 20 CHED CCN(c1ccc(Nc2cccc(C#N)n2)cc1)C(C)C 1162084367 SSLPHXNUGRAAQD-UHFFFAOYSA-N 280.375 3.932 30 20 CHED CC(C)(NC(=O)c1cccc(C#N)c1)C1CCCCC1 1318236923 BDSYPJFOIIZTSJ-UHFFFAOYSA-N 270.376 3.647 30 20 CHED CC[C@@](C)(C#N)c1nnc(-c2cc3ccccc3o2)o1 1327362504 BQFKIENKXLACPD-HNNXBMFYSA-N 267.288 3.674 30 20 CHED CCCCCCCCNC(=O)c1occ(C)c1C 1322083120 PDFSPCLNZIUKQF-UHFFFAOYSA-N 251.370 3.987 30 20 CHED C=CCOCCCc1nnc(C(C)(C)c2ccccc2)o1 1322266970 IIQLSQLNENRBQX-UHFFFAOYSA-N 286.375 3.531 30 20 CHED CCCCCCCCS[C@H](C)c1nncn1C 1323664594 OTUJNDMNFBLICR-GFCCVEGCSA-N 255.431 3.970 30 20 CHED CC[C@@](C)(C#N)c1nnc(-c2cc(C)nc3ccccc23)o1 1327319057 ULIMUVSOBLPXJQ-KRWDZBQOSA-N 292.342 3.785 30 20 CHED N#CCCCC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 1327646998 IDECNQWLTLCFTJ-AEFFLSMTSA-N 282.387 3.608 30 20 CHED C#CC1CCN(C(=O)N[C@@H](CCC=C)c2ccccc2)CC1 1326284713 YUAHHMYUYCXHNK-SFHVURJKSA-N 296.414 3.749 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)c1ccc(F)cc1F 1322190161 ROUIVSXEHNMFHF-DGCLKSJQSA-N 279.330 3.635 30 20 CHED CC(C)[C@@H](Cc1ccccc1)Nc1ncccc1C#N 1187593030 ADMABKYKAMVZOB-MRXNPFEDSA-N 265.360 3.632 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)c2csc(C#N)c2)c1 1330504199 IFEDUAJWUVMDTH-INIZCTEOSA-N 296.395 3.906 30 20 CHED CC[C@@H](C)CCCCC(=O)[C@@H](C#N)c1ncc(Cl)n1C 1344322185 JJXDTXHBPLBZGF-VXGBXAGGSA-N 295.814 3.856 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2ccc(OCC)cc2C1 1341722009 DDLVJKNYFJKSLM-AWEZNQCLSA-N 287.403 3.572 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)c1cccnc1)c1cccs1 1343903039 XKVQKYDMDYJLIG-RISCZKNCSA-N 286.356 3.591 30 20 CHED CC(C)(C)ON=Cc1ccccc1OCc1cccnc1 1341309410 PRLWBRFVTPOPPB-UHFFFAOYSA-N 284.359 3.810 30 20 CHED Cc1cccc(C)c1CNc1nc(Cl)c(C#N)s1 804559016 PUZOIOQTCFGJHY-UHFFFAOYSA-N 277.780 3.897 30 20 CHED Cc1sccc1C(=O)Nc1sc(C)c(C)c1C#N 1351224323 PKPHXVOSPANWAN-UHFFFAOYSA-N 276.386 3.859 30 20 CHED C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)CC#N 103443693 POWJBXMRQGEDAO-QWRGUYRKSA-N 296.823 3.581 30 20 CHED N#CC[C@@H](OC(=O)CCc1ccc(F)cc1)c1ccco1 1350311732 OAUIURGYHNGHMS-OAHLLOKOSA-N 287.290 3.549 30 20 CHED C=C(C)CCC(=O)NCc1cc2ccccc2s1 1353666615 DZBWAHLYIXPBGF-UHFFFAOYSA-N 259.374 3.874 30 20 CHED CCCCCCCC[C@@H](N)C(=O)Nc1ccc(N)c(C)c1 1353612783 GTPFJVHAMVNEDO-MRXNPFEDSA-N 291.439 3.594 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 1358011588 TYMHKOSQHPQPJW-GDBMZVCRSA-N 257.377 3.747 30 20 CHED C=C(C)Cn1c(-c2ccsc2)nnc1N1CCC[C@H]1C 1516076852 GHMWZFXMGIWUAN-GFCCVEGCSA-N 288.420 3.571 30 20 CHED Cc1c(Cl)cnc(N2C[C@H](C)CC(C)(C)C2)c1C#N 1458283268 KBUVPZZQAJOLTA-SNVBAGLBSA-N 277.799 3.788 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCO2 1526758286 MCOPGSWXBBFYJQ-HNNXBMFYSA-N 286.375 3.584 30 20 CHED Cc1ccc(CNc2ccc(C#N)cc2F)c(C)c1 112012162 VBBXYJASXRVQPY-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCCc1ccccc1Cl 1463057223 MEJGVOPBPVPMJR-CQSZACIVSA-N 292.810 3.813 30 20 CHED CCCc1ccc(NC(=O)c2csc(C#N)c2)cc1 1521083302 FTZUUDFJNGVEBT-UHFFFAOYSA-N 270.357 3.825 30 20 CHED C[C@H](CC=NNc1c(Cl)cccc1Cl)C(=O)O 1604130331 TTWLPXNTEGJKPO-SSDOTTSWSA-N 275.135 3.502 30 20 CHED C[C@H]1C[C@H](CCNC(=O)c2cc(C#N)ccn2)CC(C)(C)C1 1538743016 BYOMHBLLSGXIDZ-KBPBESRZSA-N 299.418 3.536 30 20 CHED C[C@H](C(=O)O)c1cccc(NC2CCC(C)(C#N)CC2)c1 1609645598 XKLHSASPXIZADW-MKQDKFQKSA-N 286.375 3.759 30 20 CHED CC(C)CC(CC(C)C)Nc1ncc(C#N)cc1F 1559098508 UEEXAARMSQSAGC-UHFFFAOYSA-N 263.360 3.965 30 20 CHED CC(C)[C@@H]1CN(c2cccc(C#N)n2)c2ccccc21 1559181041 CTZGGROYJTVGFG-HNNXBMFYSA-N 263.344 3.845 30 20 CHED CCSc1ccccc1CCNc1cccc(C#N)n1 1559275810 UUHDWUDDSLROBN-UHFFFAOYSA-N 283.400 3.720 30 20 CHED COc1cccc([C@H](C)Sc2ncccc2C#N)c1 1642417225 MQNMPNVGYGZOFQ-NSHDSACASA-N 270.357 3.815 30 20 CHED N#Cc1ccc2c(c1)N(c1cc(-c3ccccc3)ncn1)CC2 1650937953 WQHCMCFZJSMVKJ-UHFFFAOYSA-N 298.349 3.709 30 20 CHED C=C(C)CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 67401352 KSZZBZSJTJYEEU-MRXNPFEDSA-N 279.811 3.662 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 122231928 MQBSMADHSYFURQ-SNVBAGLBSA-N 286.297 3.786 30 20 CHED Cc1cc(C#N)ccc1COc1cc(F)ccc1C 230402875 RFBOBAZQTUXZMI-UHFFFAOYSA-N 255.292 3.893 30 20 CHED Cc1ccc(C)c(N(Cc2cc(C#N)ccn2)C(C)C)c1 1652825630 IIMZKGHUJTYFQX-UHFFFAOYSA-N 279.387 3.985 30 20 CHED CCCC(CC)=NNc1cccc(F)c1C(=O)O 1595585906 IHROKMUATPBVSD-UHFFFAOYSA-N 252.289 3.502 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H]1CCCC[C@H]1CCC 1682002280 ZOHDLRRPHGGPFU-OLZOCXBDSA-N 272.820 3.645 30 20 CHED CCCC(=NNc1ccc(C)c(C(=O)O)c1)c1ccccn1 1595522163 KSXWPDUHGAVCCS-UHFFFAOYSA-N 297.358 3.705 30 20 CHED C[C@H](NC(=O)Nc1sccc1C#N)[C@@H]1C[C@H]2CC[C@H]1C2 1673279314 SBSFEGISIALXNT-ZPFDUUQYSA-N 289.404 3.566 30 20 CHED C=C[C@@H](C)ON=C(C)c1sc2ccccc2c1C(=O)O 1776090680 UUOGHXGMEOUMJQ-SECBINFHSA-N 289.356 3.915 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1C(=O)O 1776114390 OGCVNSOJOWKHPW-WEVVVXLNSA-N 296.322 3.598 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(CC2CCC(CC)CC2)C1 1776158267 JIMAEHHFHFSWEF-VMBOVVBDSA-N 279.424 3.556 30 20 CHED CC1(C)C(=NNc2ccc(F)c(C(=O)O)c2)[C@H]2CCC[C@H]21 1776063209 GBSJSHSWMNOVGQ-CMPLNLGQSA-N 290.338 3.748 30 20 CHED C=C(CNC(=O)N1CC[C@H](CC)[C@@H]1C)c1ccccc1 1681773712 AGIHMEHFEMEJNV-GJZGRUSLSA-N 272.392 3.530 30 20 CHED CC(=O)CCc1ccc(OCc2ccccc2C#N)cc1 19482416 PNTGHZCVCRZCLV-UHFFFAOYSA-N 279.339 3.659 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc2cc(O)ccc2c1 152665713 DDWUPSJTVXMLAG-SOFGYWHQSA-N 292.338 3.658 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1Cl 153523708 TZZZHFXUYCYUDL-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C#CCN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 157168143 UBOXXPFORUATAK-SNVBAGLBSA-N 274.364 3.541 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 155843915 YNIPWOHKZVZSEH-SNVBAGLBSA-N 284.334 3.556 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2ccc(C#N)c(C#N)c2)c1 155997506 ZBJQFSFFPYYCJH-UHFFFAOYSA-N 295.729 3.644 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCc3ccccc3C2)cc1 154418117 GODZUKNDOMXLPJ-OAHLLOKOSA-N 292.382 3.536 30 20 CHED C=CCCOc1cccc(CNC(=O)OC(C)(C)C)c1 156981063 PBILVUMGIVXCOF-UHFFFAOYSA-N 277.364 3.666 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 235318581 PLGPOGAIQLUACM-KWQFWETISA-N 286.322 3.883 30 20 CHED C[C@@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 251591249 XSIKPIFBZCPDKQ-OQUILHJVSA-N 254.377 3.645 30 20 CHED CCN(Cc1cccs1)Cc1ccc(C#N)cc1F 42316490 YMVXJJUIVDGDMM-UHFFFAOYSA-N 274.364 3.781 30 20 CHED N#Cc1ccc(CNc2ccc(OC(F)(F)F)cc2)o1 155632592 QSTSWXFBXDWOQZ-UHFFFAOYSA-N 282.221 3.662 30 20 CHED C=CCSCc1ccc(OC)c(Br)c1 308525760 ITOGXGWNUUMZPY-UHFFFAOYSA-N 273.195 3.877 30 20 CHED COc1ccc(O)c(CNc2cc(Cl)ccc2C#N)c1 36954154 BUZAXXPAZRKWNB-UHFFFAOYSA-N 288.734 3.538 30 20 CHED COc1ccc(C)cc1CNc1ccc(F)c(C#N)c1 51635853 PUXBJOODBWIXMP-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1CCCCCC1 53714604 GJQPDSHSBHLBAX-UHFFFAOYSA-N 256.349 3.776 30 20 CHED N#Cc1cccc(N(Cc2ccccc2)Cc2ccco2)n1 301817923 FKEBBOBYLFZTOO-UHFFFAOYSA-N 289.338 3.753 30 20 CHED CC[C@H](NCc1ccc(C#N)c(F)c1)C1CCCC1 404196370 JEJGKIQOYDRCRM-INIZCTEOSA-N 260.356 3.756 30 20 CHED CC[C@H](CC#N)NCc1csc(C(F)(F)F)c1 600153302 YIMUOHBIRPCXRA-SECBINFHSA-N 262.300 3.549 30 20 CHED C[C@@H]1CCC[C@@H](CNc2ncc(C#N)cc2Cl)C1 608886028 MPGGXJPNGNMIDJ-GHMZBOCLSA-N 263.772 3.845 30 20 CHED Cc1nc(N2CCC[C@H](C(C)C)C2)c(Cl)cc1C#N 461965896 ZIQLGRAPIVMEOV-LBPRGKRZSA-N 277.799 3.788 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C)cc2F)C1 617782404 DYKBFDOTHDBTCF-ZDUSSCGKSA-N 261.340 3.562 30 20 CHED N#Cc1ccc(NCc2csc3ccccc23)cn1 337651001 BAAAZEUCMKTMQD-UHFFFAOYSA-N 265.341 3.780 30 20 CHED COCCc1ccc(Oc2ncc(C#N)cc2Cl)cc1 358877585 IMEUWTKRVCXDSH-UHFFFAOYSA-N 288.734 3.588 30 20 CHED N#Cc1ccc(OCCCCC2CCOCC2)cc1 381670394 QEYURUGXEXOTEE-UHFFFAOYSA-N 259.349 3.534 30 20 CHED COc1cc(C#N)cc(OC[C@H]2CCCC(F)(F)C2)c1 382666625 ZKLSUXMCWZMAPW-NSHDSACASA-N 281.302 3.771 30 20 CHED C=C(C)CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 103481436 IDMFDAKHFJQLDZ-HNNXBMFYSA-N 283.375 3.840 30 20 CHED CC(C)[C@@H](C)CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 172435244 FYRNUWPIGIJPFH-ZDUSSCGKSA-N 287.407 3.901 30 20 CHED CCCCCCCCOCC(=O)N(C)c1ccc(N)cc1 59226925 QYVRQRKCZHXWAX-UHFFFAOYSA-N 292.423 3.609 30 20 CHED C=CCCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 172022031 PIUIFVXOXQGAKR-JTQLQIEISA-N 289.285 3.574 30 20 CHED C=CCCCC(=O)Nc1ccccc1-n1nc(C)cc1C 175257466 PDBCGKOBWPPJRF-UHFFFAOYSA-N 283.375 3.784 30 20 CHED C=C(Br)CN[C@@H](C)c1c(F)cccc1F 133319704 RRCFVLPIDWUWJO-QMMMGPOBSA-N 276.124 3.524 30 20 CHED Cc1nc(-c2cccs2)ccc1C(=O)NCCCCC#N 171503491 QLFMXIBZMPXWPD-UHFFFAOYSA-N 299.399 3.542 30 20 CHED C=CCOc1ccc(C(=O)NCCCC2CCCC2)cc1 105879883 SIFWVNLHCYQKKN-UHFFFAOYSA-N 287.403 3.952 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)Nc2sccc2C#N)C1(C)C 57984524 RCJZCIJWJRHXSS-NEPJUHHUSA-N 274.389 3.797 30 20 CHED Cc1nnc(Sc2cccc(Cl)c2)c(C#N)c1C 54185500 XXNIQGKRDQDWGM-UHFFFAOYSA-N 275.764 3.770 30 20 CHED CSCCc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 67856970 DXQQJDYLYXMSNB-UHFFFAOYSA-N 296.395 3.716 30 20 CHED CC(C)(CNC(=O)c1cccc(CC#N)c1)C1CCCC1 179127782 FENKWJJBFWGXIP-UHFFFAOYSA-N 284.403 3.699 30 20 CHED COc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 114759638 VGPLSEYUYDPUCT-ZDUSSCGKSA-N 282.343 3.598 30 20 CHED N#Cc1ccccc1/C=C/c1nc(-c2ccsc2)no1 171784215 SFLJJPLIMZYREA-AATRIKPKSA-N 279.324 3.840 30 20 CHED N#Cc1cccc(NC(=O)NCc2cc3ccccc3o2)c1 60996342 BBQYYMULZQSMPH-UHFFFAOYSA-N 291.310 3.626 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC2C[C@H](C)C[C@@H](C)C2)cc1 172674370 NHABIDOMMALLGC-KFWWJZLASA-N 286.419 3.892 30 20 CHED COc1ccc([C@@H](NCc2cc(C#N)cs2)C2CC2)cc1 177682562 YEWWDBCNFMLFJC-KRWDZBQOSA-N 298.411 3.869 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)cc1 119918526 PASDKXMYOBFBGC-KBPBESRZSA-N 297.402 3.752 30 20 CHED N#Cc1ccc(N[C@@H]2CCOc3ccc(F)cc32)c(F)c1 68765403 YWTPRRAMWZPOFH-CQSZACIVSA-N 286.281 3.772 30 20 CHED CC[C@@H](SC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 178508995 WULBAPJTZOBDDM-CYBMUJFWSA-N 276.405 3.568 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2cccc(O)c2)c1 303677027 QPXCDGNYQWETER-SOFGYWHQSA-N 256.276 3.736 30 20 CHED Cc1ccc(OC2CCN(CCCCC#N)CC2)cc1 116883221 LBFCQJQNKVUZJL-UHFFFAOYSA-N 272.392 3.532 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)s2)cc1F 176404857 GUXKIGODINEUAN-AATRIKPKSA-N 287.315 3.664 30 20 CHED N#Cc1csc(CNCCCc2ccc(Cl)cc2)c1 177696990 XGRNLFXJZROTGA-UHFFFAOYSA-N 290.819 3.996 30 20 CHED CC(C)CCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175809477 GEOHIIPJYINBAU-KBPBESRZSA-N 289.375 3.614 30 20 CHED N#Cc1cccc(COc2cccc(CN3CCCC3)c2)c1 125776086 JNSBLSVSDCLWKR-UHFFFAOYSA-N 292.382 3.733 30 20 CHED C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)C1CCCCC1 173403497 ZXPNFZUQEZKORO-CQSZACIVSA-N 299.418 3.668 30 20 CHED N#Cc1cc(NC(=O)C2(c3ccccc3F)CC2)ccc1F 120104612 OWWIZYNSDPLPBB-UHFFFAOYSA-N 298.292 3.507 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1 69311632 QUPOGJSBVCYJOW-NSHDSACASA-N 267.756 3.568 30 20 CHED CN(Cc1ccc(F)c(F)c1)c1c(F)cc(C#N)cc1F 63508558 DQOZDQRRMQJWFT-UHFFFAOYSA-N 294.251 3.751 30 20 CHED Cc1cccc2ncnc(Sc3cccc(C#N)c3)c12 301632497 JSFCUGCMPDYTRM-UHFFFAOYSA-N 277.352 3.961 30 20 CHED C[C@@H](N[C@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1 188060072 NXQZLJCDRAYJLI-PXAZEXFGSA-N 296.345 3.872 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CCC1 189540115 XFDZKBHCEDHRPQ-AWEZNQCLSA-N 287.403 3.576 30 20 CHED CCC1=C(C(=O)N[C@@H](CCC#N)c2ccccc2)CCCO1 189685228 BOZVWGDTYSTWCM-INIZCTEOSA-N 298.386 3.622 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1 79347612 LPWZMUYKIIOJSM-MRXNPFEDSA-N 294.379 3.527 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1C 219894129 IEMMUAHFIYUHGC-UKRRQHHQSA-N 273.376 3.560 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(Cl)cc1Cl 180416227 LAIRMEGAQVVZCB-UHFFFAOYSA-N 258.148 3.642 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc2ccccc2c1 184872226 GUAPANSETKUMMQ-UHFFFAOYSA-N 252.313 3.795 30 20 CHED CC(C)CCCCC(=O)Nc1ccccc1CC#N 410831299 YGOOQVFRFAQGQG-UHFFFAOYSA-N 258.365 3.908 30 20 CHED N#Cc1ccc(CSCCOCC2CCC2)cc1 419620857 BRVROHATQNKTBP-UHFFFAOYSA-N 261.390 3.608 30 20 CHED C=C(C)CCN[C@H](C(=O)OC(C)(C)C)c1ccccc1 508960794 AISOQVUJJRJVQN-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(Cc2ccccc2)CC1 182600490 DOFDKPNVMSWCET-OAHLLOKOSA-N 271.404 3.870 30 20 CHED COCCOc1ccc(C#N)cc1N[C@H](C)c1ccccc1 181342485 SVHQDLBSPCDKLV-CQSZACIVSA-N 296.370 3.757 30 20 CHED C#Cc1cccc(NCc2cccc(OC(F)F)c2)c1 185315337 BQCDQGILPOEBRH-UHFFFAOYSA-N 273.282 3.881 30 20 CHED COC1(CCSCc2ccc(C#N)cc2)CCC1 419493225 MNJVUTIPHNBMMI-UHFFFAOYSA-N 261.390 3.751 30 20 CHED CN(CCC1(C#N)CCCCC1)Cc1cccc(C#N)c1 411133458 MOGMKLZYRBCUJP-UHFFFAOYSA-N 281.403 3.854 30 20 CHED CCC[C@@H](CC)NC1CCN(Cc2ccc(C#N)cc2)CC1 181924514 ROJMAWUUDAIDQT-GOSISDBHSA-N 299.462 3.691 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(F)cc1F 189870790 HYQQZRXMZOEIQH-BMIGLBTASA-N 267.319 3.744 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(C)c1Cl 73345763 FCRZYGANIPECBC-NSHDSACASA-N 267.756 3.568 30 20 CHED C=CC[C@H](C)NC(=O)c1coc2cc(C)c(C)cc12 184561067 VHJGYRXORSUPHU-LBPRGKRZSA-N 257.333 3.744 30 20 CHED C#Cc1cccc(NCc2ccn(-c3ccccc3F)n2)c1 187250333 LYSRXPDRDACVQX-UHFFFAOYSA-N 291.329 3.605 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1cccc(Cl)c1Cl 183763848 VZWPIAWIYQCAML-WDEREUQCSA-N 288.218 3.971 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 183834420 YGMDZSUVXPKWST-IMJJTQAJSA-N 261.409 3.792 30 20 CHED Cc1cc(C)n(-c2ccc(CSCCC#N)cc2)n1 413016838 XIEZZXYBSKJHAW-UHFFFAOYSA-N 271.389 3.636 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccnn2Cc2ccccc2F)C1 185887151 HBMBJCXZPZMGJZ-ZFWWWQNUSA-N 298.365 3.565 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@H](CC)c1ccccc1 410829800 SJVSLJIMKSNJJA-GOEBONIOSA-N 272.392 3.721 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)Cc1ccccc1Cl 410828402 NPDROATXZGGUCQ-GXTWGEPZSA-N 292.810 3.669 30 20 CHED N#Cc1cc(Oc2ccc(Br)c(F)c2)ccn1 87430633 DDZKZURFKKAHEM-UHFFFAOYSA-N 293.095 3.647 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NCCCSCC#N 191353504 RYOJJYHGWUEUTP-CABCVRRESA-N 268.470 3.828 30 20 CHED C[C@H](C(=O)Nc1ccccc1O[C@H](C)C#N)c1ccccc1 131651688 FTNPODIXKKDCAO-KGLIPLIRSA-N 294.354 3.720 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCc3ccccc32)CCC1 191566259 SBGVPHATYPBTAU-HNNXBMFYSA-N 269.388 3.579 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CC2CCC1CC2 339984101 OLBPPQDVVKQQQS-YMAMQOFZSA-N 276.424 3.601 30 20 CHED Cc1[nH]ccc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 426280799 NSGJTQCEVJGRDQ-INIZCTEOSA-N 295.386 3.615 30 20 CHED OC1=N[C@@H](C/C(O)=N/C23CC4CC(CC(C4)C2)C3)CCC1 329432509 HXEGURWOPJBQOC-DLUQRMLASA-N 290.407 3.811 30 20 CHED N#CCc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1 42349307 SOLJAARWVLTIBO-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CN(CCCC(C)(C)C#N)[C@@H]1CCc2ccccc2C1 174863015 XSVBXYVJLINMQJ-QGZVFWFLSA-N 270.420 3.806 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2ccc(F)cc2s1 426558191 IAFOCKALSNJENK-GFCCVEGCSA-N 276.380 3.976 30 20 CHED C=CCC[C@H](NC(=O)C1CC=CC1)c1ccccc1 134014413 ZDLVEZSEPBXCFZ-INIZCTEOSA-N 255.361 3.776 30 20 CHED Cc1ccc(-c2nc(CO/N=C(\N)CC(C)C)cs2)o1 49441880 AVERPLVKZSBNBU-UHFFFAOYSA-N 293.392 3.546 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@H](CC2CC2)C1)c1ccccc1 516334580 GHQYMGNAECMYNM-SJORKVTESA-N 283.415 3.995 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(OC)cc1Br 132830437 VXAWTVRTZMWKDB-VHSXEESVSA-N 284.197 3.683 30 20 CHED C=CCOc1cccc(CN2CCS[C@H](C)CC2)c1 190700530 WGNFPNIXZACRLN-CQSZACIVSA-N 277.433 3.579 30 20 CHED C#CCCCC(=O)Nc1nc(-c2cccs2)cs1 192056178 CCLGXZHLUFQJGU-UHFFFAOYSA-N 276.386 3.614 30 20 CHED C[C@@H](C[S@@](=O)Cc1ccccc1C#N)c1ccccc1 339152315 GSTXJHVINGFGLG-VBKZILBWSA-N 283.396 3.611 30 20 CHED C=C(C)CCN(C)Cc1ccc(Br)c(F)c1 510752271 QHWNTGNOXUDIEI-UHFFFAOYSA-N 286.188 3.986 30 20 CHED C=CCOc1ccccc1CNc1ccnc2ccncc12 85686579 FSMAEWURSINRTP-UHFFFAOYSA-N 291.354 3.807 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@@H](C)c1ccc(Cl)s1 330479714 MKXSUDBUYJOOFG-IINYFYTJSA-N 298.839 3.950 30 20 CHED CSc1ccc(/C(O)=N/[C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] 330385293 LILGBUUHUDCBCR-GXSJLCMTSA-N 294.376 3.810 30 20 CHED CC1(C)C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2cc([N+](=O)[O-])ccc21 424326491 LVTSKIKKGZCVOP-HWWQOWPSSA-N 299.374 3.599 30 20 CHED C=CCC[C@H](CC)NC[C@@](C)(O)c1ccc(F)cc1F 89727064 GUQLFOBHEIZBLW-XJKSGUPXSA-N 283.362 3.507 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(Cl)c1 191689021 RYWFFWRGYDORND-LRDDRELGSA-N 290.794 3.851 30 20 CHED C=CC[C@@H]1N(C[C@@H]2CCCC[C@@H]2O)CCCC1(C)C 519778734 SIBFMZSXQNHDSC-JYJNAYRXSA-N 265.441 3.604 30 20 CHED CC(C)CCn1ncc(N=C(O)NC(C)(C)C)c1C(C)C 331133207 UKTCEWFHZJSXMA-UHFFFAOYSA-N 294.443 3.986 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(N2CCCC2)c1 336545023 XZSIAAXTYHCWMB-MRXNPFEDSA-N 299.418 3.859 30 20 CHED Cc1coc(C)c1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 335075595 GWXVEWAWBKOKGS-LBPRGKRZSA-N 282.343 3.601 30 20 CHED CC[C@H]1[C@@H](C)CCN1c1nc(C(C)(C)C)ccc1C#N 613896861 UUSRQFJYMVJIMW-JSGCOSHPSA-N 271.408 3.876 30 20 CHED C=CCC[C@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccco1 513707397 CDQCHAYKBDFPMA-KBPBESRZSA-N 293.407 3.997 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CNCc1ccc(C#N)s1 421354357 WEHCVSIXUSDKGR-SWLSCSKDSA-N 260.406 3.702 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(N(C)CCC#N)cc2)[C@@H]1C 98078516 LPYYBYCQLOQGMJ-MDZRGWNJSA-N 299.462 3.951 30 20 CHED Cc1cc([C@@H](C)NCC2(CC#N)CC2)cc(C)c1F 430749208 IMWWEUFMYIHCTB-CYBMUJFWSA-N 260.356 3.787 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C[C@H]1C 334043132 ATSNGYZEQZTYLV-CKEIUWERSA-N 299.418 3.524 30 20 CHED CC(=O)c1cc(/C(O)=N/[C@@H]2CCCC[C@@H]2C)c(C)nc1C 331122953 MUQCGIKZYBWLPA-MGPLVRAMSA-N 288.391 3.784 30 20 CHED CC1(C#N)CCN(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 334881575 IVUJQONNHMJFHX-UONOGXRCSA-N 291.439 3.536 30 20 CHED C=CCC[C@H](CCC)NCc1ccccc1Cn1cncn1 337823561 UCLXPCULXFYVFV-SFHVURJKSA-N 298.434 3.551 30 20 CHED COc1cccc2c1CCCN2Cc1cccc(F)c1C#N 433319926 QEWAYWPXANSJPC-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CC[C@H](NC(=O)NCc1cccc(C#N)c1)c1ccccc1 338316956 SEITUUMYKGANDE-KRWDZBQOSA-N 293.370 3.509 30 20 CHED C[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)[C@@H]1C 92737230 BDHSXAVLDUGTBA-HZPDHXFCSA-N 286.419 3.990 30 20 CHED COc1cccc2c1CCCN2Cc1cc(F)ccc1C#N 433306327 QQGZSPUINCMYMU-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C=CCCOCCCCC(=O)Nc1ncccc1C(C)C 342946146 KFGTXMVCKPDRTJ-UHFFFAOYSA-N 290.407 3.907 30 20 CHED Cc1ccc(F)c(CN(C)c2cc(C#N)ccc2[N+](=O)[O-])c1 436429766 HYCONILOIXCDKR-UHFFFAOYSA-N 299.305 3.550 30 20 CHED C[C@H](CCC(C)(C)C)N=c1ccc(Cl)c(C#N)[nH]1 522905492 CADLRMRVRHAOFK-SNVBAGLBSA-N 265.788 3.655 30 20 CHED CC[C@H]1C[C@@H](CC(=O)N(CCC#N)C(C)(C)CC)CCO1 348541238 SHUDUEZHHILJKM-GJZGRUSLSA-N 294.439 3.513 30 20 CHED CC(C)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)N1CCCCCC1 248701197 AGIDPVADCXWMJE-KURKYZTESA-N 291.483 3.559 30 20 CHED N#Cc1cc(F)ccc1CSCc1cccnc1 341935220 VAHAPUBMHSJZBP-UHFFFAOYSA-N 258.321 3.526 30 20 CHED CC(C)CC[C@H](NC(=O)NCC1(CC#N)CC1)C(C)(C)C 430674958 KZULQLDDXBFCQX-AWEZNQCLSA-N 293.455 3.830 30 20 CHED Cc1ccc([C@@H]2CCCN2Cc2cccc(C#N)n2)cc1 602435962 MFEQDSPTWJZDDR-SFHVURJKSA-N 277.371 3.599 30 20 CHED C=CCCOCCCCC(=O)Nc1scc(C)c1C#N 344899326 PWJGILNSHHKBGS-UHFFFAOYSA-N 292.404 3.630 30 20 CHED Cc1cccc2c1CCCN2CCOc1cccc(C#N)c1 609625952 XAFSAXGFGKJMKH-UHFFFAOYSA-N 292.382 3.698 30 20 CHED C[C@H](CCC#N)CN(C)CCOc1ccc(Cl)cc1 602434030 OVKSVZRSDYQFIO-CYBMUJFWSA-N 280.799 3.590 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1CCCC[C@@H]1C 609142969 HWCLCQPAEMVAQN-HOTGVXAUSA-N 278.440 3.991 30 20 CHED C=C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@@H]3C)o2)CC1 342108724 SJTKPTWVDSRECS-LJISPDSOSA-N 285.387 3.685 30 20 CHED Cc1ccc(F)c(NC(=O)[C@H](C#N)CCc2ccccc2)c1 433228503 AVSMPHOPXAAMHY-HNNXBMFYSA-N 296.345 3.845 30 20 CHED C=CCCCC(=O)N1CCC(Oc2cccc(F)c2)CC1 529619913 AJCBTKHSYSFJQX-UHFFFAOYSA-N 291.366 3.552 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)Cc2ccc(F)cc21 255477466 ROYNWYYGKICZHB-KPKJPENVSA-N 256.251 3.787 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc2c3c(cccc13)CC2 343207078 XGKNSIPYJBLMNR-CYBMUJFWSA-N 292.382 3.560 30 20 CHED C=CCCOCCCCC(=O)N[C@@H](C)c1ccccc1 342622772 KASSERPAQSHGLW-HNNXBMFYSA-N 275.392 3.627 30 20 CHED C[C@@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)c2ccccc21 252592265 NYAHGGFKDQIFJA-AUUYWEPGSA-N 292.382 3.605 30 20 CHED CCSc1ccc([C@H](C)NCC2(C#N)CC2)cc1 343567059 VIXYEHUYNFHERB-LBPRGKRZSA-N 260.406 3.753 30 20 CHED Oc1ccccc1C=Nc1cccc(OC(F)F)c1 255230328 TZOCMOFPHXLUJL-UHFFFAOYSA-N 263.243 3.744 30 20 CHED COc1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1C 602722762 HFQYTNMXQUAHSP-ZDUSSCGKSA-N 288.391 3.515 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1C[C@@H](C)C[C@H](C)C1 355656872 OOPLPMPVGKZBMS-RYUDHWBXSA-N 285.391 3.611 30 20 CHED CCS[C@H]1CCCCN(C[C@H](C)CCC#N)C1 602476031 VBWYKAUVKNADCR-KGLIPLIRSA-N 254.443 3.534 30 20 CHED C[C@@H](C[S@](=O)Cc1ccc(CC#N)cc1)c1ccccc1 359435584 YOQIFGUYDXUKFB-BTYIYWSLSA-N 297.423 3.805 30 20 CHED N#CCCCCCc1nc(-c2ccc(Cl)o2)no1 350252306 FWHCBOIVLJCBTP-UHFFFAOYSA-N 265.700 3.609 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(Oc2ccncc2)c1 352973195 LMCIECJLGHFYAC-QGZVFWFLSA-N 295.342 3.752 30 20 CHED Cc1cc(CN[C@@H]2CCO[C@H](CC(C)C)C2)ccc1C#N 444000885 IZESFNNXDMJEOB-QZTJIDSGSA-N 286.419 3.550 30 20 CHED C=CCC[C@H](CC)Nc1cccc(N2CCC2=O)c1 448279784 BEDUCUDHXGZTEF-ZDUSSCGKSA-N 258.365 3.580 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C/c1ccc(Cl)s1 357568069 OSNMRTSKBDDMFH-GORDUTHDSA-N 290.731 3.537 30 20 CHED Cc1cccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)c1 354299370 HRWNCEURNQJISP-GOSISDBHSA-N 292.382 3.699 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccccc1F)C1CCCC1 538226524 SPOCBIMKSLBYQX-MAUKXSAKSA-N 291.410 3.974 30 20 CHED CCN(c1ncc(C#N)cc1Cl)[C@H](C)c1cccnc1 265238223 SHSPPCKMINJRBJ-LLVKDONJSA-N 286.766 3.589 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 617778431 GGSSOIOJIBPQFI-AWEZNQCLSA-N 295.386 3.505 30 20 CHED N#C[C@H]1CC[C@@H](NCCCCc2ccc(F)c(F)c2)C1 442846521 ZRRSZLZOFLBXLT-UONOGXRCSA-N 278.346 3.569 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1[C@@H](C)CCC[C@H]1C 614407512 STFZYRXQINUJSH-LAQFHYBYSA-N 256.393 3.781 30 20 CHED CN(C(=O)NCC#Cc1ccccc1)C1CCC(C)(C)CC1 447236135 DYURLZGFBOPCOZ-UHFFFAOYSA-N 298.430 3.648 30 20 CHED C=CCc1cc(CN2[C@H]3CCC[C@H]2CC3)cc(OC)c1O 353921977 OSVIEIOCTRPIOH-HOTGVXAUSA-N 287.403 3.646 30 20 CHED CCN(Cc1ccc(C)cc1)Cc1ccc(C#N)cc1OC 536594603 BIBKIFVJLHQHSY-UHFFFAOYSA-N 294.398 3.897 30 20 CHED CCCc1ccccc1NC(=O)N1CCC[C@@](C)(C#N)C1 612295323 KOVOMVFDCRZDBT-KRWDZBQOSA-N 285.391 3.797 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(C)c(O)cc1C 444638984 MBBSFGBUMXOKPO-UHFFFAOYSA-N 291.391 3.711 30 20 CHED Cc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 353416552 YKIMLQHXPXHQDX-SFHVURJKSA-N 262.356 3.644 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1Cc2ccccc21 353844264 SAXDJZXANJUTEI-GOSISDBHSA-N 277.367 3.541 30 20 CHED N#CCC1CCN(Cc2csc(C3CCCC3)n2)CC1 543807075 LFJSXAYCYSFYNB-UHFFFAOYSA-N 289.448 3.926 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 357159243 KLOVVEDYNDLPGG-CABCVRRESA-N 273.351 3.544 30 20 CHED CC(C)(CCC#N)CN1CC[C@H]1c1cccc(F)c1 611274553 RAUDOIAGALNDPX-HNNXBMFYSA-N 260.356 3.902 30 20 CHED Cc1cccc2nc(N3CCC[C@@](C)(C#N)C3)sc12 619489691 DNUSNPYOVKLRBB-HNNXBMFYSA-N 271.389 3.735 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 613038657 HZJIFMWYOIYXPC-QWRGUYRKSA-N 298.308 3.617 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(C(F)F)cc2)C1 613130263 LHQIHHIPZXDISJ-HNNXBMFYSA-N 264.319 3.750 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1cc(Cl)c(C)c(Cl)c1 615007736 FDWFBYNRQZSBNN-CYBMUJFWSA-N 288.174 3.567 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(C2CC2)c1 453356693 MGQHZNXCARQQHN-JLZZUVOBSA-N 257.377 3.558 30 20 CHED N#CCCCC(=O)Nc1cnccc1Oc1ccccc1 361688380 YOGGASOQWFHEBM-UHFFFAOYSA-N 281.315 3.506 30 20 CHED N#CCC1(CNC2CC(c3cccc(Cl)c3)C2)CC1 366796860 WZHDKMHRMJBQBN-UHFFFAOYSA-N 274.795 3.869 30 20 CHED C=C(CC)CNC(=O)[C@H](C)c1cccc(Cl)c1 456810368 FLGYZYXBWKXFRX-LLVKDONJSA-N 251.757 3.526 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1cc(C#N)ccc1[N+](=O)[O-])CC2 613422971 MFTQCGOQEYOFPG-OAHLLOKOSA-N 293.326 3.874 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3=O)C1 617778934 RDPSJOQPOAVPKP-CQSZACIVSA-N 297.398 3.634 30 20 CHED CC(C)(C)C[C@H]1CCN(c2c(C#N)nnc3ccccc23)C1 450939294 BVVNARUOBLRUQK-CYBMUJFWSA-N 294.402 3.764 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(C)c(C)c1Cl 543108047 UWNJWTDDQHAKDF-SNVBAGLBSA-N 251.757 3.651 30 20 CHED Cc1c(C#N)cccc1-c1nc(C(C)(C)C2CCC2)no1 453293750 PVJOBARPGQMARG-UHFFFAOYSA-N 281.359 3.994 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccccc1-c1cnn(C)c1 540150590 GNXUAOKGUHJAKG-GJZGRUSLSA-N 283.419 3.777 30 20 CHED C=CCN(CCOC)C(=O)c1ccc(C(C)C)c(Cl)c1 361078755 CYQMNBGLQSZCEA-UHFFFAOYSA-N 295.810 3.738 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@H]1c1cccc(F)c1 611235932 FRESSRIJZFBHCW-KRWDZBQOSA-N 296.345 3.653 30 20 CHED CC(C)CN(CCCCC(C)(C)C#N)Cc1cnn(C)c1 459596921 ORSBXFLFFMHKHP-UHFFFAOYSA-N 290.455 3.598 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)c2ccccc12 453358029 NECYHGWRJXBLGR-VHSSKADRSA-N 297.398 3.843 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)s1)C(C)(C)C 452663299 QCQJUSMAFAGCHN-LBPRGKRZSA-N 264.394 3.564 30 20 CHED N#C[C@H]1CC[C@@H](Sc2ccc(C(F)(F)F)cn2)C1 278517100 FYNCEADRVMORHG-WCBMZHEXSA-N 272.295 3.885 30 20 CHED C=C(CNC(=O)[C@@]1(C)CCC[C@@H]1C)c1ccccc1 452001614 GFXLLFTYNBMNCI-YOEHRIQHSA-N 257.377 3.642 30 20 CHED CCCN(CC(C)C)C(=O)Nc1cccc(CC#N)c1 455919857 MSVMQXYKPRQHLJ-UHFFFAOYSA-N 273.380 3.653 30 20 CHED C=CCN(CCCC1CCOCC1)CCc1ccco1 274445920 RKPYDTQLAGPHSH-UHFFFAOYSA-N 277.408 3.517 30 20 CHED CC#CCCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 364047725 SXDXRVGTIIRPGA-CYBMUJFWSA-N 286.350 3.560 30 20 CHED C=CCC[C@H](NC(=O)[C@H](C)[C@@H](C)COC)c1ccccc1 360373233 DGLIRPYKBAJXHS-UXLLHSPISA-N 289.419 3.729 30 20 CHED Cc1ccccc1[C@H](c1noc([C@]2(C#N)C[C@@H]2C)n1)C(C)C 453184816 SQQHVZPBZCQABL-JOQOYGCGSA-N 295.386 3.967 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CCCC#N)cc1 360364730 NEODGPMYQPFQCD-IRXDYDNUSA-N 284.403 3.783 30 20 CHED CCC[C@@H](OC)c1noc([C@H](C)c2cccc(C#N)c2)n1 453218406 LDFZFTDVCJGUNQ-BXUZGUMPSA-N 285.347 3.581 30 20 CHED C=C(CC)CNC(=O)C1(Cc2cccc(Cl)c2)CC1 456832177 WHJGPIONBZQHDP-UHFFFAOYSA-N 277.795 3.745 30 20 CHED C=CCN(C(=O)[C@H]1CCc2ccc(OC)cc21)C(C)(C)C 622945021 PCFJAJXOHHBCLJ-HNNXBMFYSA-N 287.403 3.538 30 20 CHED C=CC[C@@H](C)[C@H](C)NC1(c2noc(C(F)F)n2)CCC1 366537333 WTHMIUMDOZKSEG-ZJUUUORDSA-N 285.338 3.577 30 20 CHED CCC[C@@H](NCCCC1(C#N)CCOCC1)C1CCC1 459802145 MBZYGLDQGZWFBA-MRXNPFEDSA-N 278.440 3.645 30 20 CHED N#CC1(c2nc([C@H]3CCCc4ccccc43)no2)CCCC1 273784232 STUHJVYIUNSGQW-HNNXBMFYSA-N 293.370 3.873 30 20 CHED Cc1cc(Br)c(CN(C)[C@@H](C)CC#N)s1 453566464 RZXRCSOIMZQALL-QMMMGPOBSA-N 287.226 3.553 30 20 CHED C=CCC[C@@H](C(=O)N1C2CCC1CC2)c1ccccc1 548278890 XXIZWZGLYHQXED-OFLPRAFFSA-N 269.388 3.890 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(OC)c2C)C1 626756126 JNNKKSOREPFEHV-CQSZACIVSA-N 288.391 3.824 30 20 CHED C=CCC[C@@H](NCC(C)(C)C[C@H](C)O)c1ccco1 276443511 KONAXIYZVDZNIO-UONOGXRCSA-N 265.397 3.674 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 274737553 MWXGGYVJZRPVGT-JKSUJKDBSA-N 284.403 3.974 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N(C)c1ccccc1 460801520 XKYWFYRUACPINO-UHFFFAOYSA-N 284.407 3.821 30 20 CHED C[C@@H]1CC(C(=O)Nc2cccc(OCC#N)c2)C[C@@H](C)C1 272506385 VFUMAOZJCYWANM-STQMWFEESA-N 286.375 3.600 30 20 CHED CC[C@H](NCCC[C@H]1CCCCO1)c1ccc(C#N)cc1 278685983 KBPYBBDWHNWXKH-MSOLQXFVSA-N 286.419 3.948 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 464399921 SYGJQRNLINRLAH-KBVBSXBZSA-N 297.185 3.720 30 20 CHED C[C@H]1CCN([C@H](C)c2ccc(C#N)cc2)CC1(C)C 546829758 GKBVKDUIJZLURU-UONOGXRCSA-N 256.393 3.987 30 20 CHED Cc1cc(CCNc2cccnc2C#N)ccc1Cl 461866878 UCJNZQYZYKMYNX-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CCCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 280106853 XORGGLZTQKSPIB-HIFRSBDPSA-N 261.340 3.544 30 20 CHED CC[C@H]1CCC[C@@H]1NC1CCN(c2ccc(C#N)cc2)CC1 286219929 SIKSNNFMGPZHBX-LPHOPBHVSA-N 297.446 3.695 30 20 CHED C=CCOc1ccc(CN(CC)C[C@H](C)OC)cc1Cl 462833853 QQOMAKNEVSYKMU-ZDUSSCGKSA-N 297.826 3.762 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccncc2CC)no1 289025373 LDBDMCPAQQQAGK-OAHLLOKOSA-N 257.337 3.548 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)CCc1ccc(O)cc1 468518972 YPZZJQKPDFLXQE-ZDUSSCGKSA-N 296.370 3.706 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@@H]1CCC 466376662 LRZYQNRYIHXGSR-KBPBESRZSA-N 252.402 3.705 30 20 CHED C=CCC[C@@H](CC)Nc1cc(Cl)cc(C(N)=O)c1OC 551817072 ICZVEMRQGKJXOO-LLVKDONJSA-N 296.798 3.604 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N(C)c1ccccc1C#N 288597108 NNRAFGYBYRCSRU-UHFFFAOYSA-N 282.343 3.860 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)o1 280420906 ZCRDTORBXGCVPE-UKRRQHHQSA-N 284.334 3.716 30 20 CHED C=CCCCCCN(C)C(=O)c1nc(C(C)C)oc1C 286400193 JNBINUBYBIEKFX-UHFFFAOYSA-N 278.396 3.925 30 20 CHED CCC[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C(C)C 464168242 GWASNODMBQJGQI-SWLSCSKDSA-N 252.402 3.503 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H](C(C)(C)C)C1)OCC 478452904 DLDRGTOSUMFGOV-CABCVRRESA-N 281.440 3.642 30 20 CHED N#Cc1cccc(CN[C@H]2CCc3ccc(Cl)cc32)c1 479146228 YGGCREFCYMFTOC-KRWDZBQOSA-N 282.774 3.989 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C#N)c(Cl)c1 473503444 MVKZTAVJUPKVKB-UHFFFAOYSA-N 277.755 3.689 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H](C)c1ccccc1F 472854577 VDFFJENYMBJFFC-ZDUSSCGKSA-N 278.371 3.884 30 20 CHED CCn1c(-c2ccc(C#N)cc2F)nc2cc(C#N)ccc21 559654177 DDYKJFKJOQSSDS-UHFFFAOYSA-N 290.301 3.606 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccc(COCCOC)cc1 291288383 RQMCXISGIGJWJZ-CVEARBPZSA-N 291.435 3.540 30 20 CHED CS[C@H](CNc1nc(Cl)c(C#N)s1)C(C)(C)C 804610969 BFAYJIKLCHFTRB-MRVPVSSYSA-N 289.857 3.858 30 20 CHED C=C(C)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 804080269 BVDKEFMRXUIWIZ-UHFFFAOYSA-N 277.301 3.542 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(SC)c(Cl)c1 296765148 HCXUKJXQTYUIEN-UHFFFAOYSA-N 282.796 3.549 30 20 CHED C#C[C@@H](CCC)NC(=O)c1sc2cc(F)ccc2c1C 805200636 HMUPLTGWACTILM-LBPRGKRZSA-N 289.375 3.881 30 20 CHED Cc1cnccc1CN[C@@H](CCC#N)c1ccccc1 295700819 MIYWKKSPPDUTOR-KRWDZBQOSA-N 265.360 3.525 30 20 CHED CCC(C)(C)NC(=O)[C@H](C)Sc1ccc(C#N)c(C)c1 564960516 IDSIEFWAGQZJPJ-LBPRGKRZSA-N 290.432 3.652 30 20 CHED C=CCCCCNC(=O)[C@H](C)c1ccc(CC)cc1 471697986 SEIWQEIQXBBKBV-CQSZACIVSA-N 259.393 3.825 30 20 CHED CCCCc1noc(CSc2ccc(C#N)c(C)c2)n1 567861014 GPJRXPWRSYGBQN-UHFFFAOYSA-N 287.388 3.885 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)cn2)C2CC2)cc1C 565156004 GZEWKJXTLZABLJ-UHFFFAOYSA-N 291.398 3.735 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@H](C(C)(C)C)C1 478440333 XLRVQKVSNRNHCW-XJKSGUPXSA-N 251.414 3.873 30 20 CHED C#Cc1ccc(CNCc2ccccc2OCC(C)C)cc1 809608347 MTPCLCOPMTYLFQ-UHFFFAOYSA-N 293.410 3.993 30 20 CHED CC(C)(C)OCCCC(=O)Nc1ccc(C#N)c(Cl)c1 807958448 YIOVVWFZNVBTBG-UHFFFAOYSA-N 294.782 3.745 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C1CCC1 296682532 ISCRNNBUGSJFOE-UHFFFAOYSA-N 299.418 3.526 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)CC(C)(C)C#N 562371903 BTFPPCBEYWRUTP-UHFFFAOYSA-N 272.392 3.674 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)s1)C(C)(C)c1ccccc1 487040168 JJOUIYMPJOMOGG-GFCCVEGCSA-N 298.411 3.716 30 20 CHED C#CCCOc1ccc(OCC2CC2)c(Cl)c1 814769031 GCWWASRCVXCDKN-UHFFFAOYSA-N 250.725 3.531 30 20 CHED COc1ccc(CCC(C)=NOCCC2CC2)cc1O 814246456 NOPROTWSTSJMOB-UHFFFAOYSA-N 277.364 3.526 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC1CCN(CC(=C)C)CC1 657876679 ZIKRJTYBTGQLIB-SJLPKXTDSA-N 276.468 3.751 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1cccc(C)c1C 815630407 IIEPKJRNCCKJSG-LBPRGKRZSA-N 267.319 3.692 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2OCC2CC2)s1 487604291 GGFGTJQRBVXUHL-UHFFFAOYSA-N 298.367 3.661 30 20 CHED Clc1ccc(NN=C2CC[C@@H](c3ccccc3)C2)nn1 814697978 KYZNRITXRCEYKM-GFCCVEGCSA-N 286.766 3.866 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCc1cn2ccccc2n1 657831716 GJBUMLCTGHYPCY-WBVHZDCISA-N 283.419 3.601 30 20 CHED C=CCC1(C(=O)NC[C@H](SC)C(C)(C)C)CCC1 480540933 YYHDMJHOTXODLV-LBPRGKRZSA-N 269.454 3.627 30 20 CHED CC1CCC(C=NNc2ccccc2C(=O)O)CC1 814768825 NLEUJEXQNKCPGT-UHFFFAOYSA-N 260.337 3.609 30 20 CHED C=CCCCC[C@@H](C)NCC1CCN(CC2CC2)CC1 658353727 QLWGDWMVXMGQDT-MRXNPFEDSA-N 278.484 3.833 30 20 CHED C=CCC1(NCc2csc(C(C)(C)C)n2)CCOCC1 657633802 XKAMQMPUMMFKOJ-UHFFFAOYSA-N 294.464 3.656 30 20 CHED N#CC[C@@H](Cc1nc(-c2ccccc2)no1)c1ccccc1 571563351 CBCWBKRUQDJLNP-INIZCTEOSA-N 289.338 3.977 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1Cc2cc(F)c(F)cc2C1 654519801 LXGNWNYSDBGIHX-LLVKDONJSA-N 294.345 3.735 30 20 CHED CC(C)(C)c1n[nH]cc1C=NNc1ccc2ccccc2n1 812379326 VGUWYNYAOVKAQN-UHFFFAOYSA-N 293.374 3.701 30 20 CHED C=CCCCC(=O)N(CC(F)(F)F)[C@H](C)C(C)C 481459600 ZVFMEVKJSAKNSQ-LLVKDONJSA-N 265.319 3.778 30 20 CHED C#Cc1cccc(N=C2NN=C(C3CCCCC3)CS2)c1 727462775 WXNUZVBHUJWELM-UHFFFAOYSA-N 297.427 3.928 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(C#N)c(C)c2)cc1 488135350 DIDKLURBAJAPMN-CQSZACIVSA-N 280.371 3.726 30 20 CHED COc1ccc2nc(/C=C\c3nc(C#N)cs3)sc2c1 811687193 LKIVLFSGDDTHTI-PLNGDYQASA-N 299.380 3.803 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc(Cl)s1 812441942 JPKRROXUYCQTNM-UHFFFAOYSA-N 294.763 3.936 30 20 CHED C=CCCCC(=O)N(CCCC)CC(F)(F)F 481157227 USOYYKCBXYNNCR-UHFFFAOYSA-N 251.292 3.534 30 20 CHED C=CCN(C)C(=O)c1ccc(OCCC)cc1OC(C)C 480339603 WYQOLFAWFBIQQG-UHFFFAOYSA-N 291.391 3.521 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(Cl)c1N(C)C 815042640 ODWMEJCODSYJOI-UHFFFAOYSA-N 288.725 3.556 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cc(F)c(N)c(F)c1 814686517 KVDCXPDPIUWQHQ-UHFFFAOYSA-N 297.255 3.661 30 20 CHED Cc1cc(C(=O)Nc2ccc(C3CC3)c(C)c2)ncc1C#N 573080003 DHHPOSUNOGUGQX-UHFFFAOYSA-N 291.354 3.700 30 20 CHED O=C(/C=C/c1cccs1)c1ccc(Br)nc1 811696099 IZHINOMADYSCOX-SNAWJCMRSA-N 294.173 3.802 30 20 CHED C[C@@H]1C(=NNc2cccc3ncccc23)CC[C@H]1CC(=O)O 814804547 UMEWMGMAPGYNTL-RYUDHWBXSA-N 297.358 3.524 30 20 CHED C=CCn1cccc1C(=O)N(C)Cc1ccc(Cl)s1 488580353 VDOWEYUMRNKMHW-UHFFFAOYSA-N 294.807 3.661 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1cccc(SCC)c1 494587268 PVYZNFPQPYMELU-GFCCVEGCSA-N 278.421 3.562 30 20 CHED CCc1ccc(CCC(=O)N[C@](C)(C#N)C(C)(C)C)cc1 499469279 HESCLPYVCNKESG-GOSISDBHSA-N 286.419 3.626 30 20 CHED C=CC[C@H](C)N[C@H](C(=O)O)c1ccc(Cl)cc1Cl 825660090 SAZOZTFCPQOXDZ-UFBFGSQYSA-N 288.174 3.673 30 20 CHED C=CCC1(NCc2nnc(-c3ccccc3)o2)CCCC1 661850104 KAHVCTALYQDTIB-UHFFFAOYSA-N 283.375 3.715 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(F)c1SC 667411085 XQKKROYNCRJVEC-SECBINFHSA-N 268.357 3.634 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)NCC2(C#N)CC2)C1(C)C 580415418 CKDAGKIJMSTJNU-CYBMUJFWSA-N 291.439 3.536 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCC[C@H]2c2ccccc2)C1 581298591 CPMFVHYYMQJMQN-MXASKKJJSA-N 254.377 3.605 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CC)c2cccc(Cl)c2)cn1 728810351 HJETWRPBJXMYQK-MRXNPFEDSA-N 298.773 3.597 30 20 CHED C=CCCNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 660684991 BYJAIOIKPIQIPW-VIFPVBQESA-N 287.190 3.930 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)C1CCN(C(=O)OC)CC1 824203695 XGAFMGOBCHVKGT-HUUCEWRRSA-N 296.455 3.578 30 20 CHED Cc1nc(NC(=O)c2cc(C(C)(C)C)oc2C)ccc1C#N 905883635 SQPRQOCTZSRTDM-UHFFFAOYSA-N 297.358 3.713 30 20 CHED CC(C)C#CC(=O)Nc1ccc2nc(C3CC3)sc2c1 824649606 GBICLCIMHOUGHU-UHFFFAOYSA-N 284.384 3.772 30 20 CHED CC(=O)c1c(C)cc(C)c(CN2CCC[C@@H](CC#N)C2)c1C 661149460 CBBSEJUFFNJTRG-KRWDZBQOSA-N 298.430 3.940 30 20 CHED N#Cc1ccc(CN(Cc2ccc(F)cc2)CC2CC2)nc1 583601259 ACGRWFMCHSKHOD-UHFFFAOYSA-N 295.361 3.505 30 20 CHED C[C@@H](COC(=O)c1cccc(C#N)c1)c1ccccc1 735123943 MEQVHFYBLYZVPZ-ZDUSSCGKSA-N 265.312 3.519 30 20 CHED CC(C)c1ccc2cc(C(=O)N[C@H](C#N)C(C)C)[nH]c2c1 732098536 RUOWVVUIKGFZOJ-MRXNPFEDSA-N 283.375 3.569 30 20 CHED C=CCC1(N[C@@H](C)CC2CCCC2)CCOCC1 668551492 ORHXAGKLKLLTIF-AWEZNQCLSA-N 251.414 3.670 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCC(C3CC3)CC2)n1 589872749 CSXHFZAIPUBTAA-UHFFFAOYSA-N 283.419 3.877 30 20 CHED CC(C)c1ncsc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839061664 FTVBKFDPVUNYPA-QWRGUYRKSA-N 278.377 3.506 30 20 CHED Cc1c(OCCCCC2(C#N)CCC2)ccc2c1OCC2=O 902776793 QDEDQEIVZCRNCI-UHFFFAOYSA-N 299.370 3.813 30 20 CHED C=CCC[C@H](C(=O)OCc1cn(C)nc1C)c1ccccc1 837654230 TWQIPIGOJFNZDH-KRWDZBQOSA-N 298.386 3.522 30 20 CHED COc1ccc(C(C)=NOC(C)C)cc1Br 835004730 XKHGEFICANOBPC-UHFFFAOYSA-N 286.169 3.607 30 20 CHED CCC(CC)NN=Cc1cccc(Br)c1 734366579 XWOIBOFCBYSZNY-UHFFFAOYSA-N 269.186 3.561 30 20 CHED CCn1cc(C=NNc2nccnc2Cl)c2ccccc21 733078603 GSZFNJFJYAXZHE-UHFFFAOYSA-N 299.765 3.551 30 20 CHED C[C@H]1CC[C@H](C)C(=NNc2ncnc3sccc23)C1 834936137 SPVRJPBOWMXLIL-UWVGGRQHSA-N 274.393 3.915 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C(=O)O)c1cc(C)cc(C)c1 901532057 OJZAKQYCEPIYNR-DZKIICNBSA-N 275.392 3.619 30 20 CHED CC1CCC(=CC(=O)OCCOc2cccc(C#N)c2)CC1 734203089 LSAFZLHEXPIKFT-UHFFFAOYSA-N 299.370 3.617 30 20 CHED Cc1oc(C(C)C)cc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839061970 JJPUHPZIJDMOGC-QWHCGFSZSA-N 275.348 3.951 30 20 CHED C=Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839062155 LCZXTUHGEAQKGY-HIFRSBDPSA-N 255.317 3.569 30 20 CHED CC(C)[C@@H](C)C(=O)N1CCCSC1=Nc1ccccc1 733087077 SXULYJWCZIOTMJ-CYBMUJFWSA-N 290.432 3.932 30 20 CHED C=CCCC(=O)Nc1ccc(COC(C)(C)C)cc1 674523821 BQHTZTFKJPMLDV-UHFFFAOYSA-N 261.365 3.906 30 20 CHED COc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(Cl)c1 839048218 CKFPRYYNRGYRLI-JQWIXIFHSA-N 293.750 3.588 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccsc1 739154737 DHISFNKTGLSHNY-JQWIXIFHSA-N 296.351 3.869 30 20 CHED C#CCON=C1CC=C(c2ccc(Cl)cc2)CC1 834980456 YIAFNGDZFDZDEV-UHFFFAOYSA-N 259.736 3.913 30 20 CHED C[C@@H](NN=Cc1cnc(C2CCCC2)s1)C(F)(F)F 835003095 WGZFJVSBHLHQAI-MRVPVSSYSA-N 291.342 3.675 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H](C)c1cn(C)c2ccccc12 839042402 KZQPWTGUAZNILD-ZIAGYGMSSA-N 283.371 3.627 30 20 CHED C=CC(C)(C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 835387466 IWUZRIPBKRQMRW-SNVBAGLBSA-N 276.405 3.829 30 20 CHED Clc1cncc(NN=C2CCCCc3ccccc32)n1 914560042 OGRDIAGMCFYKLJ-UHFFFAOYSA-N 286.766 3.673 30 20 CHED C[C@@H]1OCCC1=NNc1c(Cl)cccc1Cl 747766640 VXNHVGYZBFBZHW-ZETCQYMHSA-N 259.136 3.570 30 20 CHED Cc1cc(C)nc(NN=Cc2ccc(-c3ccccc3)o2)n1 917529746 USXIJNQFWOIYFX-UHFFFAOYSA-N 292.342 3.799 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc2c([nH]1)CCCC2 838365392 SUXALZGCLDTIKB-UHFFFAOYSA-N 288.391 3.770 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C=C/c1ccco1 917524805 CZGACGRRSKKFBB-BQYQJAHWSA-N 273.357 3.569 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1c(F)cccc1F)C(C)C 918101330 JGONTJUIWGSOSX-NSHDSACASA-N 282.334 3.632 30 20 CHED C#C[C@@H](OC(=O)c1scnc1C(C)C)c1ccccc1 842392740 VTBREOIXCFBFCX-CYBMUJFWSA-N 285.368 3.798 30 20 CHED C#CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 841330864 GIXHXBFYAUCXTM-MSOLQXFVSA-N 283.415 3.975 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CCCOc2ccccc21 749748722 LEFZPMKQQKZTPF-IYSPOMMRSA-N 297.354 3.734 30 20 CHED CC(C)(C/N=C\c1cc(Cl)ccc1O)OCC1CC1 840711726 RZYIAZSWLRWJKO-IUXPMGMMSA-N 281.783 3.670 30 20 CHED C[C@H](C(=O)N(CC#N)c1ccc(Cl)cc1)C1CCC1 592652902 QBHIRDLOCOJDJZ-NSHDSACASA-N 276.767 3.633 30 20 CHED CCSc1cccc(CN2CCC[C@@H](CC#N)C2)c1 597175249 ACPNERIBZMSQNW-AWEZNQCLSA-N 274.433 3.924 30 20 CHED C[C@@H](C#N)N(Cc1ccccc1C(F)(F)F)C1CC1 595710448 RPXKADMANMAGIG-JTQLQIEISA-N 268.282 3.582 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1nc(Cl)c(C#N)s1 841223240 HNELTWMMFAYHAA-IUCAKERBSA-N 297.811 3.823 30 20 CHED C=CCCNC(=O)[C@@H](SCc1ccccc1)C(C)C 597972632 UJHRCJYBDFIZMV-HNNXBMFYSA-N 277.433 3.637 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N(C)[C@H](C#N)CC 594084637 CKJCWCMRYZHHDE-NSHDSACASA-N 296.823 3.826 30 20 CHED CC1(C)C(=NNc2ccccc2Cl)[C@@H]2CCCO[C@@H]21 743420363 FLZAFBHQANFDFX-HZMBPMFUSA-N 278.783 3.943 30 20 CHED N#Cc1nc(N2CCCC23CCCCC3)sc1Cl 596176525 BCIHSEJVGADNOE-UHFFFAOYSA-N 281.812 3.971 30 20 CHED CC(=NNCc1ccccc1)c1cc2ccccc2o1 916343695 BFKZYSYWTFAGOY-UHFFFAOYSA-N 264.328 3.947 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ncc(Br)cn1 848420119 PWGKVOULLJHQGA-SECBINFHSA-N 299.216 3.853 30 20 CHED Cc1c(Cl)cccc1NC(=S)NCC(C)(C)CC#N 840844852 GTICGBQBVQSZMC-UHFFFAOYSA-N 295.839 3.875 30 20 CHED C=C1CCC(C(=O)N[C@@H](CC)C(=O)c2ccccc2)CC1 913788480 FQMYPJWVNCXMPJ-INIZCTEOSA-N 285.387 3.511 30 20 CHED CC(CC1CCCC1)=NNc1ncc(Br)cn1 848420934 MVHPLIFTEHMDKL-UHFFFAOYSA-N 297.200 3.607 30 20 CHED N#CCCCN[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 592156764 SAHGYDLUDZSULK-ZDUSSCGKSA-N 299.271 3.804 30 20 CHED C=CCCCCSC[C@H]1CC2(CCC2)C(=O)O1 842180312 NQRIOLGRXIYNOV-GFCCVEGCSA-N 254.395 3.562 30 20 CHED CC(=NOCC(F)(F)F)[C@@H]1C[C@H]1c1cccs1 841631258 WUFJUWULQBPAIL-DTWKUNHWSA-N 263.284 3.806 30 20 CHED C=CCCSCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C 595061229 YWMNIWNUMQPCSH-CYBMUJFWSA-N 294.420 3.863 30 20 CHED C=C(C)C(C)(C)c1nc(CC2(CSC)CC2)no1 596607688 XLMVVRWGGLAAHX-UHFFFAOYSA-N 266.410 3.609 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC(C)(C)CC(C)(C)C1 598186407 MXLUVCAHPGSQOD-UHFFFAOYSA-N 288.391 3.748 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)c1cccc(C#N)n1 590520550 QNZDGTNBMCAZML-AWEZNQCLSA-N 287.407 3.774 30 20 CHED C/C(=C/C(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 742489376 QRXDUHJMSAQIGH-QXMHVHEDSA-N 256.349 3.684 30 20 CHED C[C@H]1Cc2cc(NCC(C)(C)CCC#N)ccc2O1 846749067 AWQXHVMXALQYDX-LBPRGKRZSA-N 258.365 3.752 30 20 CHED C[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)c2nccn21 590723728 OLSIGKVJICXJTP-DGCLKSJQSA-N 295.390 3.565 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1cccc(C(C)(C)C)c1 921147681 FVOMPZSOJFVPEL-CYBMUJFWSA-N 276.376 3.871 30 20 CHED C=CCCNC(=S)Nc1cccc(C(F)(F)F)c1 849278196 SSKWBRCJPCJAIT-UHFFFAOYSA-N 274.311 3.568 30 20 CHED CO[C@]1(C)CC(=NNc2ccc3ccccc3n2)C1(C)C 746558522 PHSAJVZYPPTRIJ-QGZVFWFLSA-N 283.375 3.838 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)c1ccc(Cl)cc1 921151219 KIZGKXWSVMIRGK-GFCCVEGCSA-N 281.783 3.674 30 20 CHED CCOCC(C)=NOCc1ccc(C(F)(F)F)cc1 746577253 TYWBHGALZIOMAS-UHFFFAOYSA-N 275.270 3.634 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cn(C(C)C)nn1 926590658 DSARWDRMWRTHPK-DOTOQJQBSA-N 298.434 3.697 30 20 CHED CON(C(=O)CCCCCC#N)[C@H](C)c1ccccc1C 854520523 HFQUMWQJMIBCQH-OAHLLOKOSA-N 288.391 3.920 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)co1 752893082 ZZDWXLWTWCKPCC-ARJAWSKDSA-N 292.316 3.664 30 20 CHED C(=NNc1ncnc2ccsc12)c1cccc2[nH]ccc12 755790735 AIWCAGMXTITTQP-UHFFFAOYSA-N 293.355 3.619 30 20 CHED CC(CC1CC1)=NNc1ncc(Cl)cc1Cl 756823219 IHYBWTYVHYLZNT-UHFFFAOYSA-N 258.152 3.976 30 20 CHED C=CCCOCC(=O)Nc1ccccc1COC(C)(C)C 928395741 MPJIWHDNCGAJTO-UHFFFAOYSA-N 291.391 3.533 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccc(Cl)c(Cl)c1 855780498 JKOJZGJRQCVRTG-UHFFFAOYSA-N 294.128 3.821 30 20 CHED Cc1cc(F)ccc1C=NNCc1cccc2cccnc12 750936868 CHTQNZSJJLKZDY-UHFFFAOYSA-N 293.345 3.806 30 20 CHED N#Cc1ccc(CCSCC(F)(F)C(F)F)cc1 853777646 ACJMJDGUGUBANB-UHFFFAOYSA-N 277.286 3.734 30 20 CHED Cc1ccc(-c2nnc([C@@H](C)ON=CC3CC3)o2)cc1C 853735130 OWHORGLIINNFMS-GFCCVEGCSA-N 285.347 3.827 30 20 CHED C=CCC(CC=C)C(=O)OCc1ncc(C)c(OC)c1C 759006339 DXAXNXKHPFCQFB-UHFFFAOYSA-N 289.375 3.519 30 20 CHED N#Cc1cc(COC(=O)c2ccc(Cl)s2)ccc1F 758907884 QFQFMCPPLKCQLI-UHFFFAOYSA-N 295.722 3.769 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)CCN3C)cc1 751525568 IRXREKGYDKIBFI-POHAHGRESA-N 277.367 3.883 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(C)cc2C)c1 759210890 VVODNTSANPXIHW-UHFFFAOYSA-N 272.323 3.897 30 20 CHED CC[C@H](C)N(CC)C(=O)Nc1cccc(C#N)c1C 930458520 OYWXGTRXVUKHAF-NSHDSACASA-N 259.353 3.519 30 20 CHED Cc1ccc(SCC(=O)O[C@H](C)CC(C)(C)C#N)cc1 851213380 FUYJUUWNMPHPPE-CYBMUJFWSA-N 291.416 3.959 30 20 CHED Clc1cccc(CNN=CC2CCCCC2)c1 756831974 NTCBANRPKRKYEW-UHFFFAOYSA-N 250.773 3.996 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(OC)ccc1Cl 930716236 JZLJGRGSTNPPEW-JTQLQIEISA-N 267.756 3.889 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccc2c(c1)COC2 759082122 BXWOYFXGTKUTPP-ARJAWSKDSA-N 291.759 3.723 30 20 CHED C[C@H](OC(=O)Cc1ccc(-n2cccc2)cc1)C(C)(C)C#N 753620332 FICSGVHUVGADBT-AWEZNQCLSA-N 296.370 3.501 30 20 CHED CC(=NNc1ncnc2ccsc12)c1cc(C)ccc1O 764840301 FJBHVIMAZVFYAV-UHFFFAOYSA-N 298.371 3.541 30 20 CHED CC[C@H]1CCCC(=NNc2cc(C#N)cc(Cl)n2)C1 768381175 DZIOFBDZEKEREV-JTQLQIEISA-N 276.771 3.975 30 20 CHED N#CC1(OC(=O)c2cc3c(F)cccc3s2)CCC1 762106978 XWJHBISBMHXSLU-UHFFFAOYSA-N 275.304 3.643 30 20 CHED C#CCCN(Cc1ccc(C)cc1C)CC(F)(F)F 768535271 WHLNEHVAFXDSJL-UHFFFAOYSA-N 269.310 3.691 30 20 CHED Cn1nccc1C(=O)/C=C/c1cc(Cl)ccc1Cl 766034352 RAYCTRZLACJGNU-GORDUTHDSA-N 281.142 3.623 30 20 CHED CC(CCC1CC1)=NN=c1cc[nH]c2ccccc12 768776462 GDHRTPXEZPLLIF-UHFFFAOYSA-N 253.349 3.635 30 20 CHED N#Cc1cccc(NN=C2CC[C@@H]2c2ccccc2)c1 769774364 KFMVBZNBKBUYPD-MRXNPFEDSA-N 261.328 3.904 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1cccc(C)c1 860198104 NJTHATZQJBFPNQ-CYBMUJFWSA-N 259.349 3.929 30 20 CHED CCCCCCCNC(=O)C[C@H](C)c1c(C)n[nH]c1C 862358171 XAIQJJXXJFDVHV-LBPRGKRZSA-N 279.428 3.607 30 20 CHED Cc1cccc(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)n1 863161854 LFALFNBHEYBNHM-GWCFXTLKSA-N 255.321 3.552 30 20 CHED COc1cc(C#N)ccc1OC(=O)C1CCC(C)(C)CC1 768762486 IREZMRRJRJEHBR-UHFFFAOYSA-N 287.359 3.689 30 20 CHED CCC[C@H](C(=O)OCc1cc(C#N)ccc1OC)C(C)C 763857670 SUQFVQVLWWDKHA-HNNXBMFYSA-N 289.375 3.682 30 20 CHED CC#CCCOC(=O)CCSc1ccc(Cl)cc1 760283955 UGETWFGLUHPORW-UHFFFAOYSA-N 282.792 3.779 30 20 CHED CCCCCCCCn1cc(Cl)cc([N+](=O)[O-])c1=O 767209693 LLMWAUCPKITIFJ-UHFFFAOYSA-N 286.759 3.770 30 20 CHED Cc1cccc(NN=C2CCCc3scnc32)c1 863064745 PSTVZOMQSBQAPR-UHFFFAOYSA-N 257.362 3.604 30 20 CHED CCn1nc(/C=C/C(=O)c2cncc(C)c2)c2ccccc21 769746091 CGTDPGUZXUGWJK-CMDGGOBGSA-N 291.354 3.656 30 20 CHED N#Cc1ccsc1NC(=O)c1ccsc1Cl 1349631604 PUTQADOOMUNYDL-UHFFFAOYSA-N 268.750 3.587 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 879124509 VKPNLAGJLSDPMN-ZBFHGGJFSA-N 287.403 3.577 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1ccc(F)cc1F 877934293 AMSQNBHAWXDKME-JTQLQIEISA-N 267.319 3.744 30 20 CHED N#C[C@H](OC(=O)c1ccc(Cl)cc1N)C1CCCCC1 776360492 AORHDCZPRBXQPZ-AWEZNQCLSA-N 292.766 3.551 30 20 CHED CCCCc1oc2ccccc2c1C=NN[C@@H](C)COC 777901566 CQJJHBJEEFHDLJ-ZDUSSCGKSA-N 288.391 3.734 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)[C@@H]1CC=CCC1 773110190 BHKLURQEANBCJG-CQSZACIVSA-N 274.747 3.591 30 20 CHED CC(=O)c1ccc(C)cc1OCc1cccc(C#N)c1 14372957 ZSXIAUZAPWCFBO-UHFFFAOYSA-N 265.312 3.648 30 20 CHED N#CCC[C@H](NC(=O)CC(C1CC1)C1CC1)c1ccccc1 1116347046 VZXNNDCJFXKTFN-SFHVURJKSA-N 296.414 3.974 30 20 CHED Fc1cccc(Cl)c1C=NOCCC(F)(F)F 777462856 OQXBLXFIJLDVSJ-UHFFFAOYSA-N 269.625 3.782 30 20 CHED Cc1ccoc1C=NNc1ccccc1OC(F)(F)F 777453114 LPXZYIAUFCNROE-UHFFFAOYSA-N 284.237 3.933 30 20 CHED C=CCC[C@@H](C(=O)NOC1CCCC1)c1ccccc1 777819732 ZCQAIMLKXOZWAS-MRXNPFEDSA-N 273.376 3.727 30 20 CHED CC(CCc1ccco1)=NNc1ccc2[nH]ncc2c1 779811804 JWOOALHKDMQPIQ-UHFFFAOYSA-N 268.320 3.577 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCO[C@H](C(C)C)C1 776767315 QBASRVCQRDZTJT-HNNXBMFYSA-N 291.351 3.506 30 20 CHED C/C(=C\C(=O)OCCC(C)(C)C#N)c1ccccc1 776380535 KIXJIMFCNHMZRG-ACCUITESSA-N 257.333 3.573 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cnc3ccc(C)cn13)C2=O 771858265 IWHJNLJSLJRSJM-OQLLNIDSSA-N 288.350 3.774 30 20 CHED CC(C)(C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 776112878 MQIVMRAYLUZEJK-UHFFFAOYSA-N 293.366 3.774 30 20 CHED C=C(C)CCC(=O)Nc1nc(CC(F)(F)F)cs1 1121096523 NGVFIJFPPBXSBF-UHFFFAOYSA-N 278.299 3.543 30 20 CHED C=C(CC)COC(=O)Cc1cccc(Br)c1 773500784 IUYURCPXKROGPU-UHFFFAOYSA-N 283.165 3.501 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2cc(C#N)ccc2F)cc1 1127719083 MUMQENSXUAKCEV-GFCCVEGCSA-N 296.345 3.751 30 20 CHED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1cscn1 776192029 HKGAKHWALLWXBB-UTCJRWHESA-N 295.310 3.683 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)[C@@H]1CCCOC1 779782917 JTHMNANYDFCWQE-LLVKDONJSA-N 286.297 3.920 30 20 CHED C=CCCC[C@H](N[C@@H](C)CC[S@@](C)=O)c1ccccc1 883206363 PSWVSSIHDZGRDY-RIFZZMRRSA-N 293.476 3.831 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1nccs1 777447813 JORICOXGLKZUNL-HNNXBMFYSA-N 287.432 3.724 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C1C[C@@H](C)C[C@H](C)C1 1129072288 YFBOASRTIQMGIB-RYUDHWBXSA-N 298.386 3.772 30 20 CHED N#C[C@H](OC(=O)c1cc(F)c(F)cc1F)C1CCCCC1 785600159 CGMUDZVWMSITHZ-AWEZNQCLSA-N 297.276 3.733 30 20 CHED N#Cc1cccc(C=NNc2ccc(C#N)c(Cl)c2)c1 783879706 AKCBZXJNUWPTAL-UHFFFAOYSA-N 280.718 3.529 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2ccc([N+](=O)[O-])cn2)C1 783826942 IYUHEUFIWDEKEJ-NEPJUHHUSA-N 276.340 3.604 30 20 CHED Cc1cnc(C)c(Nc2cccc(OCCCC#N)c2)n1 881825443 NGPPZCDXNDENLX-UHFFFAOYSA-N 282.347 3.520 30 20 CHED CC(C)CN(CCC#N)Cc1cc2ccccc2[nH]1 789719808 CEUPVSCEYBNOLV-UHFFFAOYSA-N 255.365 3.540 30 20 CHED C=C1CC(c2noc([C@@H](CC)OC3CCCC3)n2)C1 896878034 WVYNCSHBJLETQP-CYBMUJFWSA-N 262.353 3.914 30 20 CHED C#CCCCCNC(=O)[C@@](C)(CC)CCCCC 780896321 IZBLOAHLIDWWDE-INIZCTEOSA-N 251.414 3.903 30 20 CHED Cc1ccc(OC(F)F)c(C=NNC2CCCCC2)c1 786043118 JJQYPWNNODJXIY-UHFFFAOYSA-N 282.334 3.853 30 20 CHED COc1cc(NN=Cc2sc(C)nc2C)ccc1Cl 788472557 WVUKGNJNHSNIOG-UHFFFAOYSA-N 295.795 3.868 30 20 CHED C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@@H](C)S1 70387415 AUOQOXPWCUECBV-AOOOYVTPSA-N 266.797 3.542 30 20 CHED COc1ccc(NN=C2CCCC[C@H]2C(C)C)nc1 780275013 NHGOBMZGOBKGDT-ZDUSSCGKSA-N 261.369 3.704 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CO[C@H](C)C1 784070647 KOHJSUOZDHTAGF-RRFJBIMHSA-N 269.429 3.524 30 20 CHED CSC1(c2noc([C@@H](C)Cc3ccc(C#N)cc3)n2)CC1 896775755 FBDKOMMCKAHLCY-NSHDSACASA-N 299.399 3.640 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 785415704 KTAAOWDBTHLGLR-WMLDXEAASA-N 289.423 3.560 30 20 CHED C#C[C@H](OC(=O)c1cc2cccc(Cl)c2o1)C1CC1 783119331 BTDUTQIEOIQWDX-LBPRGKRZSA-N 274.703 3.655 30 20 CHED CCC(=O)c1ccc(C(=O)OCCCC(C)(C)C#N)cc1 784148188 QHUURMFCSZHRHC-UHFFFAOYSA-N 287.359 3.766 30 20 CHED O=C(/C=C\c1cnn(CC2CCC2)c1)c1ccccc1F 899335585 FGOSBJTVAULNED-HJWRWDBZSA-N 284.334 3.718 30 20 CHED CCCCCCCN1C[C@@H](N2CCCC2)C[C@@H]1C 796429074 NERWOHTYOABASV-HOTGVXAUSA-N 252.446 3.515 30 20 CHED CCN(Cc1ccccn1)[C@H](C)c1ccc(C#N)cc1 104948328 KHJQKNCUFCKXFB-CQSZACIVSA-N 265.360 3.536 30 20 CHED CCC(CC)(CC)NC(=O)c1ccc(C)c(C#N)c1 799342533 KUQTUONIBYAXAB-UHFFFAOYSA-N 258.365 3.565 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1ccccc1C#N 796323253 HOXHFEMISIJRCK-INIZCTEOSA-N 259.349 3.818 30 20 CHED CCOc1cccc(C=Nc2cc3c[nH]nc3cc2C)c1O 790099374 OFRPNUKRILBRSJ-UHFFFAOYSA-N 295.342 3.726 30 20 CHED C=C(Cl)C[S@](=O)[C@H]1CCc2cc(Cl)ccc21 794791433 VRVBUVUBKUDGLE-LRDDRELGSA-N 275.200 3.829 30 20 CHED C=CCCCCN1CC[C@H](c2ccccc2OC)C1 515126353 DVMVMGLFENYZMH-HNNXBMFYSA-N 259.393 3.841 30 20 CHED C[C@@H](CCC#N)CN1CCN(C2CC2)c2cc(F)ccc21 1205460652 SUUIVKJNLUSEIW-ZDUSSCGKSA-N 287.382 3.554 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccc(C#N)c(Cl)c1 799884083 CMMBEKVZWMLCTA-NSHDSACASA-N 291.782 3.816 30 20 CHED Cc1cc(C)c(C#N)c(SCC[C@@H](O)c2ccccc2)n1 795187701 ISKJWYOBGDJNHT-MRXNPFEDSA-N 298.411 3.786 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](c2ccccn2)C1 799192875 ILPWHXOSVMWGOD-WMLDXEAASA-N 277.371 3.504 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)Nc1cccc(C#N)c1 1202798502 XSQLHFYJJOGWPO-UHFFFAOYSA-N 293.370 3.924 30 20 CHED CC1(C)CC(CNC2CC(C#N)(c3ccccc3)C2)C1 706466400 PKLWVOCWUPAPTI-UHFFFAOYSA-N 268.404 3.636 30 20 CHED C=CCC1(C(=O)N[C@@H](C)COc2ccc(C)cc2)CCC1 790521457 YEILZYOVBZWQOC-HNNXBMFYSA-N 287.403 3.625 30 20 CHED CSc1ccc(C(C)=NNCCC(F)(F)F)cc1F 794547087 XYMCLELGIBOKHG-UHFFFAOYSA-N 294.317 3.814 30 20 CHED CC[C@H](C)CON=Cc1ccc(F)c2cccnc12 793160188 USNDWWLBQDDTRC-NSHDSACASA-N 260.312 3.771 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc(O)cc(Cl)c1 1140794203 BOJRMYFDRPEGNX-UHFFFAOYSA-N 286.762 3.549 30 20 CHED CSCC(C)(C)C(=O)OCc1ccc(Cl)cc1C#N 799982486 FWMBLADYVOUHLA-UHFFFAOYSA-N 297.807 3.644 30 20 CHED CCCCCCCN1CCN(Cc2csc(C)n2)CC1 740874539 NMNYOCJSGSTMDV-UHFFFAOYSA-N 295.496 3.540 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1CC 793857221 GPIQBMSCIXCFBC-GJZGRUSLSA-N 285.387 3.854 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)cn2)CC1 584756991 QBPLEKKPTUISHH-OAHLLOKOSA-N 271.408 3.601 30 20 CHED C=CCCOCCN[C@@H](C)c1sc(C(C)(C)C)nc1C 90883943 JJNKLZAHDULUCZ-LBPRGKRZSA-N 296.480 3.992 30 20 CHED N#Cc1ccc(CNC[C@@H]2CSc3ccccc32)cc1 92274926 WNHJKDZDRWWDLM-OAHLLOKOSA-N 280.396 3.537 30 20 CHED C[C@@]1(Cc2ccccc2F)CCCN1CC1(CC#N)CC1 1307871841 IBYUKYRBVMMDQO-KRWDZBQOSA-N 286.394 3.917 30 20 CHED Cc1ccnc(NC[C@H]2CCCc3ccccc32)c1C#N 1162552214 XFHLAKPNOIHHOZ-OAHLLOKOSA-N 277.371 3.794 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 1336496114 JYTFOURWKUXEGY-DZGCQCFKSA-N 289.423 3.560 30 20 CHED COC[C@@H](Nc1ccc(C#N)cc1F)c1ccc(F)cc1 1337666572 BDSFGHAHZAOMHK-MRXNPFEDSA-N 288.297 3.636 30 20 CHED Cc1cc([C@@H](C#N)C(=O)[C@@H](C)CC2CCCCC2)nc(C)n1 1343335693 NDYXEUHVHLDYJE-BLLLJJGKSA-N 299.418 3.876 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cnc(Cl)cc1C#N 1262797642 VHDGSDZHQFMFMS-JTQLQIEISA-N 279.771 3.617 30 20 CHED Cc1sc(NC(=O)CC#Cc2ccccc2)nc1C(C)C 1261780543 QEMBWATYUPCYIX-UHFFFAOYSA-N 298.411 3.955 30 20 CHED C=C(CC)C(=O)N(C)[C@H](CC)c1cccc(OC)c1 1346983034 APPDLHWBOHESIU-OAHLLOKOSA-N 261.365 3.571 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 1347522090 MTSZLLRHEUBQRG-MAUKXSAKSA-N 296.414 3.694 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C 1263777699 UIJRLFGMLKIHAW-RYUDHWBXSA-N 277.330 3.778 30 20 CHED CC1(C)c2ccccc2CCN1C(=O)c1csc(C#N)c1 1348511260 OSTADCDCHXKOIC-UHFFFAOYSA-N 296.395 3.553 30 20 CHED CS(C)(=O)=Nc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 1350338476 NJYHZCRTQXDFNX-CHWSQXEVSA-N 291.420 3.540 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccsc1 1357430248 FFWDZVKZQQJYAU-GXTWGEPZSA-N 278.421 3.949 30 20 CHED C=CC[C@H](SCc1ccc(C(F)(F)F)cc1)C(=O)O 1602848703 FNFOPYWMFFGKHG-NSHDSACASA-N 290.306 3.968 30 20 CHED Cc1cc(NC(=O)c2ccc3ccccc3c2)ncc1C#N 1537723353 MBKJPJCWWDSYFX-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=C1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)O)CC1 1602791843 AMKXYNNFFXZUPN-UHFFFAOYSA-N 293.750 3.723 30 20 CHED N#Cc1cc(F)cc(NCc2c[nH]nc2-c2ccsc2)c1 1461694605 ZNUBJBPSWLYPDJ-UHFFFAOYSA-N 298.346 3.761 30 20 CHED C[C@H]1CCCC[C@H]1OCCN1CCc2c(C#N)cccc21 1460269265 CEKBTJPRUPVHEO-KBXCAEBGSA-N 284.403 3.516 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C 1538673634 VQRNAYXBEBAAFN-NOLJZWGESA-N 284.403 3.669 30 20 CHED Cc1ccc(C[C@@H](C)Nc2nc(C)ccc2C#N)c(C)c1 1611976148 RLKLGBDTRGBFDV-OAHLLOKOSA-N 279.387 3.922 30 20 CHED C[C@]1(c2ccccc2)CCCN(CC2(CC#N)CC2)C1 1473158187 TUFOWVPMMCVYRK-KRWDZBQOSA-N 268.404 3.734 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(F)c2)c1 5129268 IPYRXBNCUYHLPD-CMDGGOBGSA-N 283.302 3.680 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)cc1 1627364334 MBAXVXBTLFKOCW-XYJQFASLSA-N 294.398 3.534 30 20 CHED N#Cc1cc(F)cc(NCc2cc(F)ccc2F)c1 227618723 MTWFEXFBRUZBJF-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1cccc(SCc2cc(Cl)ccn2)c1 1640957530 YBVMQFQKHRNDLG-UHFFFAOYSA-N 260.749 3.899 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCc2ccccc2C1 1651693156 ZZFAQJNPVLEQSJ-ZDUSSCGKSA-N 280.346 3.914 30 20 CHED C=CC[C@H](CC)N[C@@H](CC)c1ccc(C(=O)O)cc1 1588736253 VNCIYLRRKNVFSU-GJZGRUSLSA-N 261.365 3.780 30 20 CHED C[C@H](Cc1cccs1)N(C)Cc1ccc(F)c(C#N)c1 121661762 ZEIGQTDYNHAMOQ-GFCCVEGCSA-N 288.391 3.822 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1C)C1CCCC1 1675321021 QLLIWSSFLLRAJO-HNNXBMFYSA-N 285.391 3.957 30 20 CHED COc1ccc(C(=O)O)cc1/C=C/C(=O)c1cccc(C)c1 1776127155 JGDSICPNOMJYIP-SOFGYWHQSA-N 296.322 3.598 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@H](CC)c2ccccc2)C1 1776154597 MROSSHRDOKZTJL-SJLPKXTDSA-N 287.403 3.881 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc(C)cc1F 1776031999 IBXNWOCHVTVMEA-UHFFFAOYSA-N 286.306 3.668 30 20 CHED CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(C#N)c1 13994605 LHRRCHZOPFSJBG-MRXNPFEDSA-N 294.354 3.663 30 20 CHED N#Cc1ccc(COC(=O)C2(c3ccccc3)CCC2)cc1 16375930 RNPJTOWBQTWZKB-UHFFFAOYSA-N 291.350 3.723 30 20 CHED C#CCCCCNC(=O)Nc1cc(Cl)ccc1C 150804442 NULORLWMOWDMIZ-UHFFFAOYSA-N 264.756 3.573 30 20 CHED CC[C@@](C)(C#N)NC(=O)CSc1ccc2ccccc2c1 162088087 VEPOFAFIEYMRLC-KRWDZBQOSA-N 298.411 3.740 30 20 CHED C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)CCC#N)C1 158791932 KLFHWMZVTCJDTJ-JKSUJKDBSA-N 294.439 3.514 30 20 CHED CCC[C@@H](C(=O)N(CC)C[C@H](C)C#N)c1ccccc1 160451063 CRNORFYPOQHLEU-GDBMZVCRSA-N 272.392 3.578 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3ccc(F)cc3F)n2c1 151390671 MXTIBTKVHVPZLF-GQCTYLIASA-N 298.292 3.817 30 20 CHED CSc1ccsc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 152191713 IJUGEJRCIUMJFO-HZMBPMFUSA-N 294.445 3.672 30 20 CHED C=CC[C@H](C)NC(=O)c1occc1-c1ccc(F)cc1 152255040 LJTKMVLFQJAIBJ-NSHDSACASA-N 273.307 3.780 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccc(F)cc1 153293833 ZTLKPGZTVBKNDR-UHFFFAOYSA-N 278.371 3.714 30 20 CHED CCC[C@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 153356746 CYJPKWKVIGPWIX-GOEBONIOSA-N 272.392 3.974 30 20 CHED N#Cc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1 155072683 BOFSDBMMFYAPST-IBGZPJMESA-N 291.398 3.635 30 20 CHED Cc1ccc(F)cc1C(=O)N[C@H](CCC#N)c1ccccc1 156931523 GDPCZUAEXUXJEG-QGZVFWFLSA-N 296.345 3.909 30 20 CHED C=CCN(C)Cc1c(Cl)cccc1OC(F)F 154773447 XAOORXUNFCWBSA-UHFFFAOYSA-N 261.699 3.559 30 20 CHED CC[C@H]1CC[C@@H](C)N1c1nc(C(F)(F)F)ccc1C#N 124487243 HXNLKSHIAXNKIB-KOLCDFICSA-N 283.297 3.739 30 20 CHED CCCCCCCC(=O)Nc1c(F)cccc1C(=O)O 150187310 NOXQDEHNONSBJI-UHFFFAOYSA-N 281.327 3.823 30 20 CHED CN(Cc1cccs1)c1c(C#N)cnc2ccccc12 36913336 HOXXXARBASDVCH-UHFFFAOYSA-N 279.368 3.804 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 37212089 BICKDNSMVGQLNY-CYBMUJFWSA-N 265.360 3.797 30 20 CHED N#CC1(NC(=O)c2ccc3sccc3c2)CCCCC1 268515402 TWHHHBJODZSLIZ-UHFFFAOYSA-N 284.384 3.858 30 20 CHED CC[C@@H](CC#N)NCc1cc(Cl)ccc1OC(F)F 54183581 MYKIZTQCKNVVOR-NSHDSACASA-N 288.725 3.723 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1cccc(F)c1F 179912476 BJXISFDJOKYXLK-NSHDSACASA-N 272.298 3.687 30 20 CHED CCCc1cc(C(=O)NC2(C#N)CCCCC2)sc1C 604455857 RNEPBDBGAUCOGT-UHFFFAOYSA-N 290.432 3.965 30 20 CHED COc1ccc(C)cc1COc1cc(F)cc(C#N)c1 313535221 QCWLRFADCSJTTM-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cccc(OC(F)(F)F)c1 675934219 LKZSLKOUECYRGG-UWVGGRQHSA-N 259.271 3.810 30 20 CHED CC(C)(NCc1cccc(C#N)c1F)c1ccccc1 380004554 BLSKSGRCBHDUAV-UHFFFAOYSA-N 268.335 3.722 30 20 CHED C#CCCCN[C@H](C)c1cc(C)c(Br)s1 380114226 OZOFMIFDKZBUBM-SNVBAGLBSA-N 286.238 3.883 30 20 CHED CCc1cc(NC(=O)C(C#N)(CC)CC)ccc1F 599928461 LGNSYLVOZMOSKV-UHFFFAOYSA-N 262.328 3.657 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cc(OC)ccc1O 389274928 IVNMMLNIRXONQO-GFCCVEGCSA-N 263.381 3.654 30 20 CHED C=CC[C@H](CC)NCc1cc(Br)ccc1OC 393790983 DYNFDJIJGYYZOB-ZDUSSCGKSA-N 298.224 3.902 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)c(F)c1 50266858 PHOQDUFCEUVUGI-MRXNPFEDSA-N 280.346 3.687 30 20 CHED COc1ccc(O)c(/C=N\CCc2c[nH]c3ccccc23)c1 108527955 UCCBJYIBVULASF-ODLFYWEKSA-N 294.354 3.544 30 20 CHED CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCCCCC#N 179174022 SIYCLDWAMZZTNV-INIZCTEOSA-N 299.418 3.693 30 20 CHED C=CCCCC(=O)N[C@@H](CC)c1ccc(F)cc1F 175728853 LKFHGVKAVYDIFZ-AWEZNQCLSA-N 267.319 3.888 30 20 CHED CCCCN(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 174096237 CJOCXEXCWMVJEA-UHFFFAOYSA-N 299.296 3.841 30 20 CHED COc1cccc(CSc2ccc(C#N)cc2Cl)n1 178830316 XEPNAZBWIPAROC-UHFFFAOYSA-N 290.775 3.908 30 20 CHED Cc1nc(N2CC[C@@H]2c2ccccc2)c(Cl)cc1C#N 461780657 YBHXNMIAWVMBIZ-OAHLLOKOSA-N 283.762 3.867 30 20 CHED CC/C=C(\C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 178661089 VIAIHPSGUCMVAX-WUXMJOGZSA-N 272.348 3.640 30 20 CHED COc1cccc(/C=N/C[C@@H](c2cccnc2)C(C)C)c1O 177545177 PPEGFIMVBBCPJZ-MBTVCVBTSA-N 298.386 3.655 30 20 CHED COCCCCCSCc1ccc(C#N)cc1F 116911439 WWGADQQDXXQAPJ-UHFFFAOYSA-N 267.369 3.747 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccn(C(CC)CC)n1 1347522839 SMQUMGYQTMOJEE-HNNXBMFYSA-N 289.423 3.815 30 20 CHED C[C@H](NCCCC#N)c1cccc(OCc2ccccn2)c1 179696109 UHTDLTQGMMRKRE-HNNXBMFYSA-N 295.386 3.615 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1cnc(Cl)cc1C#N 1349666417 BZLSWNKONKOSNA-ZYHUDNBSSA-N 291.782 3.762 30 20 CHED CCCNc1ccc(CNc2c(C#N)cccc2C#N)cc1 302907652 XSIZGRQJPPVNDB-UHFFFAOYSA-N 290.370 3.864 30 20 CHED CCC[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 174104109 NBSXZZDOCASXCF-WCQYABFASA-N 299.399 3.818 30 20 CHED CO[C@H](CNc1c(Cl)cccc1C#N)C(C)(C)C 301440429 VCOZQLYRZKOCIF-GFCCVEGCSA-N 266.772 3.685 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C)cc(F)c1 121594066 CROQEENCUUAEOA-UHFFFAOYSA-N 276.355 3.727 30 20 CHED Cc1cc(C)cc(C(=O)Nc2cccc(C#N)c2C)c1 178378718 WCLRPFQGQHQBIP-UHFFFAOYSA-N 264.328 3.736 30 20 CHED Cc1ccc(Sc2c(C#N)cccc2C#N)cc1 302475127 UYYBMGBCUWBLSN-UHFFFAOYSA-N 250.326 3.890 30 20 CHED C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1cccc(C#N)c1 37281076 KCYAVOBAIJNORU-JTQLQIEISA-N 285.278 3.779 30 20 CHED CC(C)(C)c1cc(NC(=O)Cc2ccoc2)c(C#N)s1 121566161 CNEDUUHJIKYTAG-UHFFFAOYSA-N 288.372 3.691 30 20 CHED C=CCOc1cccc(NC(=O)C2=CCCCC2)c1 126792593 YQHBVJOYRLGYSC-UHFFFAOYSA-N 257.333 3.690 30 20 CHED C=CCOc1ccccc1C(=O)NC[C@@H]1CCCC[C@H]1C 409528446 PPESEPOKYQIBTO-CABCVRRESA-N 287.403 3.808 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C)c1Cl 189188305 UJDPPRKVZLNFSN-HNNXBMFYSA-N 281.783 3.816 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2cc(F)ccc2C1 187718386 YTHGIRLCRPWUNH-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED COc1ccc([C@@H](C)CCN[C@@H]2CCC[C@H](C#N)C2)cc1 185833345 AFQASXFVDZHIMK-YQQAZPJKSA-N 286.419 3.861 30 20 CHED N#CCc1cccc(C(=O)N2CCC=Cc3ccccc32)c1 188244209 ULFJTRKNFBJENS-UHFFFAOYSA-N 288.350 3.816 30 20 CHED C[C@H](NCCSCc1ccccc1C#N)c1cccnc1 181395023 YCNUJGVNOIWRMD-AWEZNQCLSA-N 297.427 3.537 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1cccc(F)c1 182629810 PCOJNSMQGGVDQG-QWHCGFSZSA-N 263.356 3.790 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CC)c1ccc(F)cc1F 126924232 IHLRXVCZUZCDTR-HZMBPMFUSA-N 282.334 3.680 30 20 CHED COc1cc(CCN[C@@H](C)c2cccc(C#N)c2)ccc1C 181800176 SFGBSZCYBQUPRL-HNNXBMFYSA-N 294.398 3.769 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(-c2nc(C)co2)ccc1C 181795135 KRJGKZNTOLOGMC-UHFFFAOYSA-N 299.374 3.998 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1C[C@@H]1C 505738532 UEGBDXRMAAGNBI-WDEREUQCSA-N 298.839 3.755 30 20 CHED C=CCCN(Cc1ncc(C)s1)OCc1ccccc1 187390867 SWZQSBJBJXICDI-UHFFFAOYSA-N 288.416 3.961 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1nccn1CC 414299295 KNCYENIHJLDKIN-NVXWUHKLSA-N 283.419 3.741 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(c2cccc(F)c2)CC1 188440694 MMOZMUGXZZJNRX-INIZCTEOSA-N 275.367 3.576 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccnc1-c1ccccc1 181837296 ZZUKPDNZOMJCHZ-UHFFFAOYSA-N 281.359 3.788 30 20 CHED Cn1cccc1[C@H]1CCCN1Cc1ccc(Cl)cc1C#N 187193547 GRCAOUHMISKBRR-QGZVFWFLSA-N 299.805 3.887 30 20 CHED N#Cc1cc(NCC2CCC2)ccc1C(F)(F)F 128755528 WXMYJSLXJBJVMA-UHFFFAOYSA-N 254.255 3.789 30 20 CHED CC[C@@H](C)CSCC(=O)Nc1cc(Cl)ccc1C#N 123925756 QXBQLPYXKZKLAI-SNVBAGLBSA-N 296.823 3.929 30 20 CHED CCCC1CCC(N(C)C(=O)NCC2(C#N)CCC2)CC1 419624500 KDRWMOOKWCYGTJ-UHFFFAOYSA-N 291.439 3.681 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 188472770 UAGKYWNMLDAFNG-RDTXWAMCSA-N 297.402 3.652 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1cncs1 188342008 HEDOONGCUREIAN-CYBMUJFWSA-N 282.453 3.798 30 20 CHED N#Cc1cc(F)ccc1NCCc1cccc2cccnc12 317861331 IZIFXLMAIKWTED-UHFFFAOYSA-N 291.329 3.900 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 183262826 IWMNCGSKIORFQE-RYUDHWBXSA-N 275.396 3.735 30 20 CHED C=CCOCCSCCCCC1CCOCC1 419478563 SYHAOWRFQMWLIP-UHFFFAOYSA-N 258.427 3.519 30 20 CHED N#Cc1ccnc(SCC(=O)c2ccc(Cl)cc2)c1 77905752 IUSWEBRHMWMHET-UHFFFAOYSA-N 288.759 3.582 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H](C)CCC 120328368 PXAMYFJFOIKZDM-MELADBBJSA-N 252.402 3.561 30 20 CHED CCN(CCCSCC#N)[C@@H](C)c1cccc(OC)c1 74982131 NFWKGJCIFWEXLS-AWEZNQCLSA-N 292.448 3.725 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1cccc(Cl)c1Cl 183763866 VZWPIAWIYQCAML-GHMZBOCLSA-N 288.218 3.971 30 20 CHED CCc1ccc(Oc2nc(C)ccc2C#N)c([N+](=O)[O-])c1 70497676 LDRRFBLGUOUCPN-UHFFFAOYSA-N 283.287 3.525 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](C)C(F)(F)F)c1 79956518 NPXFGFFVFNGIGW-JTQLQIEISA-N 287.281 3.778 30 20 CHED CC(=O)c1ccc2c(c1)CN(CCCC(C)(C)C#N)C2 411957956 ZUHNRVUUHQNFAD-UHFFFAOYSA-N 270.376 3.535 30 20 CHED C=C(C)CCc1noc(-c2cc3c(F)cccc3[nH]2)n1 508626742 YNTLZCSDVYGZGD-UHFFFAOYSA-N 271.295 3.866 30 20 CHED CCc1ccccc1NC(=O)c1cccc(CC#N)c1 42219556 ZDPIZNFNTFJNDR-UHFFFAOYSA-N 264.328 3.567 30 20 CHED C=CCC[C@H](NC(=O)Cc1ccc(C)nc1)c1ccccc1 133728451 AQWJYXGDUVZESP-SFHVURJKSA-N 294.398 3.756 30 20 CHED CN(C)C1(CNc2c(F)cc(C#N)cc2F)CCCCC1 500514963 MVRSRICAZMJWDY-UHFFFAOYSA-N 293.361 3.513 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1cc(C#N)cs1 84169342 QFCUTNSYCQDWFJ-LLVKDONJSA-N 264.394 3.708 30 20 CHED Cc1nc(CCNc2c(C#N)cnc3ccccc23)cs1 228179325 DOFBZPXTZNIXDN-UHFFFAOYSA-N 294.383 3.526 30 20 CHED N#C[C@H](C(=O)c1ccc(C(F)F)cc1)c1ccccn1 338864163 XHFNANUNPWXMEB-LBPRGKRZSA-N 272.254 3.509 30 20 CHED Cc1nnc(N[C@H]2CCC[C@@H](C(C)C)C2)c(C#N)c1C 505576809 LRDPFXFIGLYGBK-KGLIPLIRSA-N 272.396 3.592 30 20 CHED C=C(C)CN1CCC(NC[C@@H](CC)c2ccccc2)CC1 502990670 PQPRTZGQXGYNRM-QGZVFWFLSA-N 286.463 3.810 30 20 CHED N#CCCN(Cc1cc(F)ccc1F)C1CCCC1 83446783 OJQQAOJTVDKOSQ-UHFFFAOYSA-N 264.319 3.623 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccco2)cc1 49879455 SJWJSISSVYXGGZ-AWEZNQCLSA-N 282.343 3.572 30 20 CHED C=CCCSc1nnc(Cc2ccccc2)n1CC 514759561 BOOHUTPVBDTBKC-UHFFFAOYSA-N 273.405 3.557 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2)c(Cl)c1 191625601 XZDVMOHZIWHTDW-UHFFFAOYSA-N 295.729 3.644 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1cccc(Cl)c1 44766186 CNOQHXRUGBFZBX-UHFFFAOYSA-N 278.783 3.628 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCC[C@H]1CCCCO1 227315891 BLPHNDSHRIBTIT-CYBMUJFWSA-N 298.308 3.948 30 20 CHED CC(C)(C)c1ccccc1OCCNc1ncccc1C#N 41485373 VLLMMDZZLOUVEG-UHFFFAOYSA-N 295.386 3.742 30 20 CHED C[C@H]1CCN(c2cccc(Br)c2C#N)[C@H]1C 380733282 KOFQBRZJDIDHCV-UWVGGRQHSA-N 279.181 3.555 30 20 CHED N#Cc1ccc(CC(=O)Nc2cccc3ccccc23)cc1 194705146 RHMUZIVVTLNATQ-UHFFFAOYSA-N 286.334 3.893 30 20 CHED CC(C)CC[C@@H](C)Nc1ccc(F)cc1OCC#N 136890856 IWSDEGBWFJQWSY-GFCCVEGCSA-N 264.344 3.965 30 20 CHED C#CCCCC(=O)N(CC)Cc1ccc(Cl)s1 192082121 YPHBOENDHZMJLT-UHFFFAOYSA-N 269.797 3.554 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(C2CCC2)cc1 190824570 UAXPJUQNWIASPM-KRWDZBQOSA-N 270.376 3.622 30 20 CHED C=C(C)CN(CC)CC(=O)Nc1c(C)cccc1C(C)C 48617481 CNSLFJMXRSOVLO-UHFFFAOYSA-N 288.435 3.955 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1ccc(Br)cc1 191497893 BHNVKYFOKFUDQV-BXUZGUMPSA-N 295.224 3.662 30 20 CHED CCCCN(CC)C(=O)Nc1ccc(C#N)c(Cl)c1 192632336 MCWBJVUMMUMYJQ-UHFFFAOYSA-N 279.771 3.866 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 192692450 SHMBFXISTXGROW-GHXNOFRVSA-N 293.388 3.603 30 20 CHED N#Cc1cc(OCCC2CC2)ccc1C(F)(F)F 229464684 ZDPMADIXLPVYEE-UHFFFAOYSA-N 255.239 3.756 30 20 CHED C=C1CCN(C(=O)CSc2cc(C)ccc2C)CC1 517806054 VPOFWISZAZBRAG-UHFFFAOYSA-N 275.417 3.574 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccc(F)c1F 338617871 NOEBNVWLLXRABX-UHFFFAOYSA-N 293.338 3.855 30 20 CHED CCC[C@@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 513129440 KUIIEHFTPSSFQB-CQSZACIVSA-N 279.428 3.538 30 20 CHED CCN(Cc1ccc(C(F)(F)F)cc1C)C[C@@H](C)C#N 191054571 KQWPLQPMAHWQBQ-NSHDSACASA-N 284.325 3.995 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CCC(C)C 194591534 KQMZUDMUMOPOLK-ZDUSSCGKSA-N 273.380 3.813 30 20 CHED CC[C@@H](C)CNC(=O)N[C@@H](CCCC#N)c1ccccc1 420846882 JNARXWCQZCFEIR-ZBFHGGJFSA-N 287.407 3.767 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 336219821 YYTFWSRLIQHYQP-DGNOSDGRSA-N 278.440 3.642 30 20 CHED CC(C)(CCC#N)CN1CC2(CCC2)[C@@H]1C1CCOCC1 425371439 LLKOWIKZGUSXOF-INIZCTEOSA-N 290.451 3.597 30 20 CHED Cc1ccc(O)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 336073757 OYNUEQWTUJIVFO-UHFFFAOYSA-N 294.354 3.754 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1c(C)cccc1OC 335293167 MJAILGSANGZCQS-CYBMUJFWSA-N 274.364 3.576 30 20 CHED Cc1c(NC(=O)[C@@H]2CCC[C@H](C)C2)ccc(C#N)c1C#N 421563213 WTIUPDMPUCRSPT-WCQYABFASA-N 281.359 3.503 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1nc2cc(Cl)ccc2n1C 427841694 ITOYRXYXNNNZAU-NWDGAFQWSA-N 291.826 3.917 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NCc2cccc(C#N)c2)c1 237482305 SYKIJUIKINGULO-MRXNPFEDSA-N 278.399 3.896 30 20 CHED CN(CCCCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 429723712 KTAGREWQSUONHH-DLBZAZTESA-N 256.393 3.633 30 20 CHED CCC(CC)NCc1cccc(OCCCC#N)c1 236657814 GBDOENMBINVDHT-UHFFFAOYSA-N 260.381 3.647 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C#N)cc1 437643184 BEZQSEDQXDKYKV-CZUORRHYSA-N 285.391 3.991 30 20 CHED COc1c(Cl)cc(Cl)cc1CN(C)[C@H](C)CC#N 93090855 NRECQFLHNHTFKS-SECBINFHSA-N 287.190 3.736 30 20 CHED N#Cc1c(F)cccc1CN[C@H]1CCCc2c(O)cccc21 336516148 HVIZZROYXUWNHK-KRWDZBQOSA-N 296.345 3.570 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccccc1SC(C)C 92004924 WUDJDFKJADNTSA-GFCCVEGCSA-N 276.405 3.609 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(c3ncccc3Cl)CC2)C1 334366619 JHUPCYGTBHYVON-GXTWGEPZSA-N 289.810 3.607 30 20 CHED CC(C)c1ccc(CN=c2ccc(Cl)c(C#N)[nH]2)cc1 524620972 PEPCCHSSJDUXGX-UHFFFAOYSA-N 285.778 3.764 30 20 CHED CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccs1 342733391 UAFQRNRJIKLWNK-CQSZACIVSA-N 296.399 3.508 30 20 CHED C=CCCC1(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)CC1 527234751 KEFCLNMPYVNWLX-JSGCOSHPSA-N 273.376 3.766 30 20 CHED C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 246457672 FPRBBUZIEHXHLD-FZKQIMNGSA-N 280.346 3.890 30 20 CHED C#CCCCCC(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 245624230 XSFJLSTWEAIHFG-GPMSIDNRSA-N 299.414 3.557 30 20 CHED CC(C)C[C@H](NC(=O)[C@@H](C)C#N)c1ccc(Cl)cc1 346420762 ZVGMVRXHNQJHTJ-FZMZJTMJSA-N 278.783 3.703 30 20 CHED Cc1cccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 342607346 RHCSFHOESZHWFR-OALUTQOASA-N 291.398 3.662 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC)c1ccccc1 341185687 AYHAPXGTAZEJPQ-DOTOQJQBSA-N 288.435 3.540 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2c2ccccc2Cl)n1 602438602 DNDUPVCXTYIZAS-QGZVFWFLSA-N 297.789 3.944 30 20 CHED C[C@@H](NC(=O)N(CC1CC1)C1CCC1)c1ccc(C#N)cc1 525974827 ZECVRQPYXATBJC-CYBMUJFWSA-N 297.402 3.593 30 20 CHED C=CCC[C@H](NC[C@H](c1ccccc1)N(C)C)C1CC1 439086089 PHMMIKIQQCBECB-ZWKOTPCHSA-N 272.436 3.624 30 20 CHED CNCC1(c2ccc(-c3ccc(C)c(C#N)c3)cc2)CC1 600793725 OPENFCBQXYKIPN-UHFFFAOYSA-N 276.383 3.785 30 20 CHED C=CCN1CC[C@H](S[C@H](CC)c2ccccc2)C1=O 347775325 KTCSVJAVXPBUAY-CABCVRRESA-N 275.417 3.658 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(C)nc(O)c1)c1ccccc1 347480466 RDJWUVDCAIGNCN-MRXNPFEDSA-N 296.370 3.533 30 20 CHED CCN(CCC#N)[C@H](C)c1ccccc1Br 346676136 XQGRVHCNEMWYLA-LLVKDONJSA-N 281.197 3.746 30 20 CHED N#CCCCN[C@@H]1CCSc2c(Cl)cccc21 346805835 JAMBOZNTVDAKOT-GFCCVEGCSA-N 266.797 3.770 30 20 CHED CC(C)c1cccc2c1CCN(c1ccnc(C#N)c1)C2 343213686 FPVHDFCGVNYUQN-UHFFFAOYSA-N 277.371 3.639 30 20 CHED C=CCC1(C(=O)N(CC)C[C@@H]2CCCO2)CCCCC1 448776821 IBKKYAOZIQBSNW-HNNXBMFYSA-N 279.424 3.541 30 20 CHED N#C[C@@H](Sc1ccc(Br)cc1)C1CC1 601071210 XRHRDNHJWXCVCG-LLVKDONJSA-N 268.179 3.843 30 20 CHED C=CCCOCCCCc1nc(-c2cccs2)no1 342675829 NGSNYXQMDLWVNB-UHFFFAOYSA-N 278.377 3.714 30 20 CHED C=CCOc1ccccc1CNCc1ccc(C#N)c(C)c1 443996787 KDXLOLFRZCTJJY-UHFFFAOYSA-N 292.382 3.721 30 20 CHED Cc1ncccc1/C=C\C(=O)c1ccc(F)cc1F 255223312 JTIFQFQKMZKAMH-DAXSKMNVSA-N 259.255 3.564 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc2c(c1)oc1ccccc12 352575598 CDTZUBIYYJPPHQ-LBPRGKRZSA-N 292.338 3.960 30 20 CHED C=CCc1cc(/C=C\C(=O)c2ccco2)cc(OC)c1O 255271034 WZMACXXLVXFUBV-FPLPWBNLSA-N 284.311 3.618 30 20 CHED C=CCC1(CNCc2csc(C)n2)CCCC1 449607746 ZAURVQUCROYIEO-UHFFFAOYSA-N 250.411 3.678 30 20 CHED CC(C)CCSCCCC1(C#N)CCOCC1 356946089 KFNXYFYVEJMDQK-UHFFFAOYSA-N 255.427 3.866 30 20 CHED Cn1c(CNCC(C)(C)CCC#N)cc2ccccc21 602660941 BSSBXPYJALIGMD-UHFFFAOYSA-N 269.392 3.598 30 20 CHED CC1CCC(CC(=O)N(C)Cc2ccc(C#N)cc2)CC1 359723874 UANZLNWZYSKHMX-UHFFFAOYSA-N 284.403 3.733 30 20 CHED C=C[C@H](C)N[C@H](CC)c1ccc(OC(F)F)cc1 358289601 CVCKNORWCHYIRJ-GXFFZTMASA-N 255.308 3.903 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H](C(C)C)C2)cc1 444396181 XPJDOBDKCGAPIC-INIZCTEOSA-N 287.403 3.760 30 20 CHED CC(=O)Nc1c(C)ccc(N[C@H]2CCC[C@@H](C#N)C2)c1C 618574278 WBJVWIGYDTZOOL-CABCVRRESA-N 285.391 3.756 30 20 CHED Cc1cc(C)c(NC(=O)c2ccc(Cl)c(C#N)c2)c(C)n1 537166226 VNYOSMQZNQCEKB-UHFFFAOYSA-N 299.761 3.784 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(-c2ccccn2)cc1 353963361 OROZPXIUEGMKLX-UHFFFAOYSA-N 281.359 3.788 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 612159790 DOPYZRYZUJFUDC-KRWDZBQOSA-N 299.349 3.606 30 20 CHED C=CCC[C@H](NC(=O)CSC(C)C)c1ccccc1 533260922 LJRIKVONULJGKZ-HNNXBMFYSA-N 277.433 3.952 30 20 CHED N#Cc1ccc(CNCc2c(F)cccc2F)cc1Cl 619748731 RWZBKCCPVZAEMG-UHFFFAOYSA-N 292.716 3.780 30 20 CHED CCOc1cc(C#N)ccc1OCc1cccc(COC)c1 446953800 GYGZQVJXRRJNPQ-UHFFFAOYSA-N 297.354 3.682 30 20 CHED C=C(C)CCc1noc(-c2cc(C)n([C@@H](C)CC)n2)n1 351622511 JXSXVCQCMQIQMK-NSHDSACASA-N 274.368 3.721 30 20 CHED CC(C)N(CCCC#N)Cc1ccc(Br)cc1 353433717 HOADGHAMIJGWHK-UHFFFAOYSA-N 295.224 3.963 30 20 CHED C[C@@H](NC1CCC2(CCCO2)CC1)c1cccc(C#N)c1 615967070 HOTKMNZTWPDEHV-RWBZWWBESA-N 284.403 3.701 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ncccc1C 352901862 LKFNNGUTRJJGDP-UHFFFAOYSA-N 298.434 3.746 30 20 CHED C=CCCCC[C@@H](C)NCC1CCN(C2CC2)CC1 449285295 CYHIYLFMIGQXEA-OAHLLOKOSA-N 264.457 3.585 30 20 CHED C=C(CC)CSc1nc(-c2ccc(C)cc2)n[nH]1 536899429 DANCWIYFQWLMDR-UHFFFAOYSA-N 259.378 3.838 30 20 CHED C=CCc1cc(CN2C[C@@H](C)C[C@@H]2CC)cc(OC)c1O 536670861 OHJLZADPGQYTRN-BBRMVZONSA-N 289.419 3.750 30 20 CHED Cc1cc(CN2CCOc3ccccc3[C@@H]2C)ccc1C#N 618593555 DNZGGEOMAULUIR-HNNXBMFYSA-N 292.382 3.822 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 356369907 QQTXDASIRAJFFJ-TZMCWYRMSA-N 287.407 3.880 30 20 CHED C=CCC1(C(=O)Nc2ccc([C@@H](C)C(=O)O)cc2)CCC1 263335543 QTZYQHSVRLZDSB-GFCCVEGCSA-N 287.359 3.560 30 20 CHED Cc1ccc(CN(C)Cc2cc(C#N)cs2)cc1C 449763381 RDUHYLHDPUYIQX-UHFFFAOYSA-N 270.401 3.869 30 20 CHED Cc1ccccc1O[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1 539494692 MHHFDDMEXVPBFP-HOTGVXAUSA-N 294.398 3.985 30 20 CHED C#C[C@@H](/N=C(\N)Nc1ccc([C@@H](C)CC)cc1)C(C)C 262244807 YLODJVCDYRIQHW-XJKSGUPXSA-N 271.408 3.585 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)ncn3C)CCCC1 450001431 DAMHWBOZFMYPLL-UHFFFAOYSA-N 283.375 3.648 30 20 CHED C[C@H](NC(=O)c1cccc(Cl)c1)c1cccc(C#N)c1 610361356 ARSOZAIYTCDJEA-NSHDSACASA-N 284.746 3.703 30 20 CHED C=CC[C@@H](C)NC(=O)N(Cc1ccc(F)cc1)CC1CC1 265426704 LTLCNVYJSQYRBH-CYBMUJFWSA-N 290.382 3.712 30 20 CHED COCCN(CCC#N)CCCc1cccc2ccccc12 610392145 MXIBDWNQGVCADM-UHFFFAOYSA-N 296.414 3.634 30 20 CHED Cc1ccc(CN(Cc2cc(F)ccc2C#N)C2CC2)o1 610728651 ITDOXBIOOYHNCJ-UHFFFAOYSA-N 284.334 3.763 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](C)c1ccc(C)cc1 455527611 VJOJAAAECRADHP-CQSZACIVSA-N 260.381 3.664 30 20 CHED C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C[C@@H](C)C1 611062471 LMSLUGCTNHXJGP-ILXRZTDVSA-N 299.418 3.697 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)o1 618741234 CAVJJAWAEKQISP-CQSZACIVSA-N 272.735 3.582 30 20 CHED C=C(CNC(=O)[C@H](OCC)c1ccccc1)c1ccccc1 360213476 PLQBBLHFSGXDEL-GOSISDBHSA-N 295.382 3.594 30 20 CHED N#CCCCC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 360312420 VDUPIDAHQSAVTM-QGZVFWFLSA-N 288.366 3.867 30 20 CHED CC(C)(C#N)CCCCn1sc2ccccc2c1=O 277756980 RLZMNIKPGAUACT-UHFFFAOYSA-N 274.389 3.783 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2cccc(CC#N)c2)C1 456738815 UXLVQVQPAJDLOY-ZFWWWQNUSA-N 270.376 3.908 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2nc(C)c(C)o2)CCCC1(C)C 277863511 LYPQDBIZUBHRJL-ZDUSSCGKSA-N 291.395 3.890 30 20 CHED Cc1ccc2c(c1)SCCCN2C(=O)CC(C)(C)C#N 278782397 LWKSPNWLTDMTKC-UHFFFAOYSA-N 288.416 3.764 30 20 CHED C=CCC1(C(=O)NCCCC(C)(C)COC)CCCC1 451762854 JOIQZHZGRBYTGD-UHFFFAOYSA-N 281.440 3.692 30 20 CHED CCSc1cccc(-c2noc([C@]3(C#N)C[C@H]3C)n2)c1 453180639 BEXGQDUGCJHULF-BMIGLBTASA-N 285.372 3.650 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1cccc(CC#N)c1 455908034 QMSIQOWSVODZAO-DYVFJYSZSA-N 285.391 3.843 30 20 CHED COC(=O)c1ccc2ccccc2c1OCCC(C)(C)C#N 548836106 WSSZBEICHLJOFQ-UHFFFAOYSA-N 297.354 3.945 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(Oc2ccncc2)c1 362693836 WVHHYCOLHJZTKB-LBPRGKRZSA-N 283.331 3.570 30 20 CHED C#CC[C@H](NCc1cc(C)c(C)cc1O)c1ccccc1 270167275 GYUALOSBMRMYIV-SFHVURJKSA-N 279.383 3.863 30 20 CHED CSc1ccccc1CN1CCC(CC#N)CC1 543807429 NVWNMWFTNISYAN-UHFFFAOYSA-N 260.406 3.534 30 20 CHED C=C1CCN(Cc2ccc(OC)c(OC)c2Cl)CC1 271170342 PUXIMWGTHDSJSC-UHFFFAOYSA-N 281.783 3.509 30 20 CHED C=CCOc1ccc(CN(CC)CC(F)F)cc1Cl 542692400 MDGWLCSCYVWQLZ-UHFFFAOYSA-N 289.753 3.992 30 20 CHED COC(=O)[C@@H](Sc1cccc(Cl)c1C#N)C(C)C 541173482 SMYJNZPAJYGVCV-LBPRGKRZSA-N 283.780 3.501 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)CC[C@H]1C 271231598 QOZHLRBAOWRCSB-GHMZBOCLSA-N 291.782 3.721 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@@H](c1ccccc1)C1CCC1 458278994 RRRBUSLSGOWZGO-INIZCTEOSA-N 299.418 3.719 30 20 CHED C=CCN(C(=O)c1cc(Cl)ccc1OCCC)C1CC1 542526967 SKZHVVRPMVWIIS-UHFFFAOYSA-N 293.794 3.919 30 20 CHED C[C@H]1C[C@@H](CCNc2ccc(Cl)cc2C#N)CCO1 543210356 RVGGLINXNWDJFG-RYUDHWBXSA-N 278.783 3.829 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452643331 JAWQDFOWLNCVEJ-XHDPSFHLSA-N 276.767 3.781 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](CC)CC(F)(F)F 544853594 FYXXMVIZSCAWNN-MNOVXSKESA-N 280.334 3.761 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCc1cccc(Cl)c1 545919526 WIROYJJSOKBNBO-INIZCTEOSA-N 292.810 3.717 30 20 CHED C=CCC[C@@H](NC[C@@](C)(O)c1cccs1)c1ccco1 276391733 BUAFUIXCWUQIPY-CZUORRHYSA-N 291.416 3.846 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(COCCOC)cc1 624232780 MIXKVLJBWFMYSM-LSDHHAIUSA-N 277.408 3.862 30 20 CHED C=CCC[C@@H](CCC)N[C@H](CO)Cc1cccc(C)c1 467354805 GXWCLQREFWCRIK-MSOLQXFVSA-N 275.436 3.623 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OC(F)F)c(OC)c1 620270477 QFNNZIRFKFUECA-UHFFFAOYSA-N 299.317 3.837 30 20 CHED C[C@@H](CNCCc1cccc(C#N)c1)c1ccc(F)cc1 466425088 ZOEXLGIBEYTKLC-AWEZNQCLSA-N 282.362 3.633 30 20 CHED CC#CC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 277753926 RTAMQKVWVCCKDI-NSHDSACASA-N 295.304 3.781 30 20 CHED C[C@@H](NC[C@H](c1ccsc1)N(C)C)c1ccc(C#N)cc1 271900607 VOWNJGMCEKLWOP-CXAGYDPISA-N 299.443 3.573 30 20 CHED C[C@H](C(=O)N1CC[C@H](C(C)(C)C)C1)c1cccc(C#N)c1 462549596 JKEAIVIYTGESEQ-BBRMVZONSA-N 284.403 3.556 30 20 CHED CC#CCSc1ncnc2sc3c(c12)CCCC3 463037951 VQUNCYMJVYIZAF-UHFFFAOYSA-N 274.414 3.686 30 20 CHED COc1cccc([C@H]2C[C@@H](C)CN2c2ncccc2C#N)c1 373282982 ZKXUQBQOGXMWPP-CXAGYDPISA-N 293.370 3.549 30 20 CHED C[C@H]1CN(C(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 377829206 QLUQPEOZMVANKN-YVEFUNNKSA-N 294.329 3.531 30 20 CHED CC#CCCCC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 464567092 GIJTUOPMTYTOJI-UHFFFAOYSA-N 296.414 3.736 30 20 CHED N#Cc1cnccc1/C=C/c1cc(Cl)c2c(c1)OCO2 557381751 MLMNVIPMNDNMFI-OWOJBTEDSA-N 284.702 3.506 30 20 CHED C=CCCN(C)Cc1ccc(F)cc1C(F)(F)F 467368948 IZHZQZPEZXTZDW-UHFFFAOYSA-N 261.262 3.852 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCCCC#N 280348354 REBVNESPIGSLPZ-VXGBXAGGSA-N 250.773 3.725 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@H]1Cc1ccccc1 462885153 AWXLNCJSHLNQGY-CXAGYDPISA-N 266.319 3.740 30 20 CHED N#Cc1ccc(CN2CC(Cc3ccc(F)c(F)c3)C2)cc1 551442556 NIYFORBYLATSNM-UHFFFAOYSA-N 298.336 3.511 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccccc1)C1CC1 467516553 MFKRPCDFGSIFML-UHFFFAOYSA-N 269.388 3.946 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(OCC)c1 466396267 OKKKPEZULRBZLH-GFCCVEGCSA-N 262.353 3.562 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2oc(C(C)C)nc2c1 552005131 PVPDQYJYHQBWCI-INIZCTEOSA-N 285.347 3.830 30 20 CHED C[C@@H](N=c1cc[nH]c(C#N)c1)c1ccccc1C(F)(F)F 557588651 ONMJHENSUQUBLH-SNVBAGLBSA-N 291.276 3.567 30 20 CHED C=CCOCCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 286283408 IFUGVOJSMPDGMS-WBVHZDCISA-N 287.403 3.579 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCC[C@H](SCC)C1 474042832 YESJABWFRSUSLU-KBPBESRZSA-N 284.469 3.706 30 20 CHED Cc1ccc2oc(-c3noc(CCCC#N)n3)cc2c1 291057823 JOEHPZLWGWVGRQ-UHFFFAOYSA-N 267.288 3.638 30 20 CHED CC(C)Oc1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 296113777 NUKARBGYSKKJDW-SFHVURJKSA-N 298.386 3.886 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)C1 476421451 ZCJXKBKBDRSGTC-HUUCEWRRSA-N 298.430 3.996 30 20 CHED C=CCC(C)(C)CNCc1ncccc1C(F)(F)F 645186251 AVJPQPSLEUIYAK-UHFFFAOYSA-N 272.314 3.792 30 20 CHED COc1ccc(C[C@@H](C)CN(CCC#N)C(C)C)cc1F 569634059 LPQUUVRGNVOUIM-CQSZACIVSA-N 292.398 3.637 30 20 CHED C[C@H](CCC#N)SCc1ccc([N+](=O)[O-])cc1 298470430 UCCASBKNYMEWHO-SNVBAGLBSA-N 250.323 3.520 30 20 CHED CCC[C@@](C)(CC)C(=O)OCCCC1(C#N)CCOCC1 800223686 HZCSCLNMRPYBQL-MRXNPFEDSA-N 295.423 3.847 30 20 CHED C=CC1CCN(c2nnc(-c3ccccc3)n2C2CC2)CC1 566374835 KIODNRFCWFIMEE-UHFFFAOYSA-N 294.402 3.682 30 20 CHED C#C[C@@H](NC(=O)Cc1coc2c(C)c(C)ccc12)C(C)(C)C 807882027 HEOPSOQFCKZGNS-MRXNPFEDSA-N 297.398 3.756 30 20 CHED C[C@H](C#N)OCCN[C@H](CC(C)(C)C)c1ccc(F)cc1 801937480 NWDWIJNFYIPEEV-CZUORRHYSA-N 292.398 3.821 30 20 CHED C#C[C@@H](CC)NCc1csc(-c2ccc(Cl)cc2)n1 809685959 CQKXJWUYCZDYLV-ZDUSSCGKSA-N 290.819 3.965 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccsc1C 294733781 XMUFDBHJIQRQPF-UHFFFAOYSA-N 278.421 3.849 30 20 CHED C=CCOCCCS[C@H](C)c1ccccc1[N+](=O)[O-] 479623736 AGYDLEFNAYIVKV-GFCCVEGCSA-N 281.377 3.982 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(C(C)C)cc1 809956225 AXGXCBFDFWLNEX-UHFFFAOYSA-N 277.367 3.973 30 20 CHED CC#CCN(C)C(=O)c1sc2cc(C)c(C)cc2c1C 569028714 QKAIMQIPDXSFTA-UHFFFAOYSA-N 285.412 3.922 30 20 CHED CCCn1ccc2cc(NC(=O)C(C)(C)C#N)ccc21 299720894 ZNQZKNGHBVZAJG-UHFFFAOYSA-N 269.348 3.540 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@H]2C[C@@H]21)c1ccccc1 807000958 KYIYUHBVMNXNAK-ULQDDVLXSA-N 284.403 3.888 30 20 CHED CNc1ccc(C#N)cc1NC(=O)/C=C(\C)C(C)(C)C 803302071 GRHBJLRGKJFJTE-DHZHZOJOSA-N 271.364 3.531 30 20 CHED C=CC[C@H](CC)NC(=O)N(C[C@@H]1CCC[C@@H](C)C1)OC 812210158 JVIXUHYNULBCNU-KFWWJZLASA-N 282.428 3.740 30 20 CHED CC[C@@H](CC#N)NC/C(C)=C\c1ccccc1OC(F)F 566592943 PCDLPGQETKSOIC-HCYCVZQXSA-N 294.345 3.973 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccccc1CSC 813167630 ABTOODWMPCTTNJ-UHFFFAOYSA-N 295.407 3.712 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(CCC#N)CC1 566149552 IULCFKZTZJRYLT-GOEBONIOSA-N 291.439 3.538 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1C=CCCC1 486431388 XPVNZCDKDIJGRK-CYBMUJFWSA-N 273.401 3.803 30 20 CHED Fc1ccccc1NN=Cc1cc(Cl)c2c(c1)OCO2 812459985 JLSFWIBTFSCUDS-UHFFFAOYSA-N 292.697 3.654 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(F)cc2F)no1 560005188 WMLTWXNZSDJWSP-SECBINFHSA-N 280.274 3.669 30 20 CHED C[C@H]1CCC(=NNc2nc(-c3ccc(Cl)cc3)no2)C1 814848237 FRXZAHLDOLMPPR-VIFPVBQESA-N 290.754 3.978 30 20 CHED CC(C)OCCON=C1CC(c2cccc(F)c2)C1 812240707 YTIVTQZROMIIAP-UHFFFAOYSA-N 265.328 3.501 30 20 CHED CC#CCN(C)C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 819249368 KSINOJUMKIIMDL-VAWYXSNFSA-N 295.304 3.590 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1ccccc1F 819816098 GUMNKXFVQITKJB-LBPRGKRZSA-N 271.339 3.686 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 658977676 FVRFKXNPRRSTIW-HNNXBMFYSA-N 297.402 3.747 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](CC)Cc1ccccc1 571275943 KDKMEFLPADCZJW-OAHLLOKOSA-N 259.393 3.584 30 20 CHED C=C(C)CNC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 488556427 CRJMFRXMOKZZOD-MRXNPFEDSA-N 288.366 3.637 30 20 CHED C=CC[C@@H](NC(=O)N(C)[C@H](C)CCCC)c1ccncc1 812047858 JXKYUALLDHJRFB-GDBMZVCRSA-N 289.423 3.919 30 20 CHED C#CCOCSc1nnc(-c2ccc3ccccc3c2)o1 814743732 MMPKYTHGUJSXLD-UHFFFAOYSA-N 296.351 3.589 30 20 CHED CCCCCCCN[C@H](c1nc[nH]n1)C1CCCCC1 813858739 IWAGCBNNYQUDFM-HNNXBMFYSA-N 278.444 3.986 30 20 CHED Cl/C=C/CON=Cc1cnc(-c2ccccc2)s1 811672072 PCOYGKPTZAYWBO-JEVKGGJXSA-N 278.764 3.913 30 20 CHED C#C[C@H](/N=C\c1ccccc1O)c1ccc(Cl)cc1 811625735 UTQLHTGLJANTPW-GZQZNAIASA-N 269.731 3.839 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc2ccncc2s1 658029943 NDDRXOHEUPBTLQ-YUTCNCBUSA-N 288.416 3.681 30 20 CHED C[C@H]1CCCC1=NNc1ncc(Cl)cc1Cl 729143125 CASRNPASUWXTQG-ZETCQYMHSA-N 258.152 3.976 30 20 CHED C#C[C@@H](NC(=O)C(F)=C1CCCC1)c1ccc(Cl)cc1 812352931 YGUVAAGSFTXAEF-CQSZACIVSA-N 291.753 3.928 30 20 CHED Cc1cccc2c1OC/C(=C\c1cccnc1Cl)C2=O 728697879 YTZKAEHMECSXMH-XYOKQWHBSA-N 285.730 3.702 30 20 CHED COc1cccc(NN=Cc2ccc(OC(F)F)cc2)c1 725853017 BTIAIRQFLXJIKC-UHFFFAOYSA-N 292.285 3.743 30 20 CHED Clc1ccccc1CNN=Cc1ccc2[nH]ccc2c1 811638845 DCTNJMAIDIDRNS-UHFFFAOYSA-N 283.762 3.945 30 20 CHED CC1(c2ccccc2)CC(=NNc2cccc(C(=O)O)c2)C1 729632401 BGCLVTDIIOQHDA-UHFFFAOYSA-N 294.354 3.904 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)CCCOC(C)C)c2c1 488122032 YHIBPGJESFZOJO-UHFFFAOYSA-N 297.402 3.666 30 20 CHED C=C(CC)CNC(=O)N1CC(C)(C)[C@H]1c1ccccc1 653270001 PXALROQKDQGLNI-OAHLLOKOSA-N 272.392 3.745 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(OC)c(SC)c1 822372747 BBUVVNDCKZXERX-LLVKDONJSA-N 279.405 3.958 30 20 CHED CN(CC(C)(C)C#N)C(=O)CCCC1CCCCC1 497275596 KOVIULGAMLWEMB-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C=CCCc1noc(CCCc2c(F)cccc2F)n1 656023970 JUYMXHDVQUXPIB-UHFFFAOYSA-N 278.302 3.642 30 20 CHED C#Cc1cccc(CNCc2ccc(OCC3CC3)cc2)c1 825226800 MGZDWKUJMFQJOC-UHFFFAOYSA-N 291.394 3.747 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 491191397 CYTVYTCMDMORRA-GFCCVEGCSA-N 298.308 3.715 30 20 CHED C#Cc1cccc(NC(=S)N(C)c2cccc(C)c2)c1 727087067 JJCNXJKKOACKJU-UHFFFAOYSA-N 280.396 3.810 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1c(F)cccc1Cl 497078518 KXSSNYRLCRAEDD-JTQLQIEISA-N 284.762 3.633 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)CCC(C)C)c1 726436558 YXSWWMIVCRELEX-ZDUSSCGKSA-N 274.433 3.779 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2nc(C)cs2)CCCC1 663951972 SZFTWDKDQCLCHN-LBPRGKRZSA-N 293.436 3.701 30 20 CHED C/C=C(/CC)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 588572942 CFRGGSRDBQRZII-BASWHVEKSA-N 297.383 3.977 30 20 CHED C=CCN(C/C=C/c1ccncc1)Cc1ccc(OC)cc1 495170335 CPGVOPHFXZBAPG-SNAWJCMRSA-N 294.398 3.792 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H]1c1cccs1 588266555 BUFFKEOCQOCNEH-CYBMUJFWSA-N 276.405 3.886 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2nc(Cl)sc2c1 823847976 ZNFAGHMQCFXQRA-CYBMUJFWSA-N 293.779 3.828 30 20 CHED C=CC[C@H](NC(=O)c1cccc(Cl)c1)c1ccncc1 734237105 LFQVQAPGHFTYKF-HNNXBMFYSA-N 286.762 3.782 30 20 CHED C=CCN(Cc1ccc(OC)cc1)CC(F)(F)C(F)F 733897978 UXUNBUNMDGTDEB-UHFFFAOYSA-N 291.288 3.584 30 20 CHED N#Cc1ccc(-c2cccc3[nH]ncc23)cc1Cl 589962840 AKJVJFBXSGPKRF-UHFFFAOYSA-N 253.692 3.755 30 20 CHED C=CCN(Cc1ccccc1F)Cc1ccnn1CCC 667544945 RBAITPGIIDCBPZ-UHFFFAOYSA-N 287.382 3.620 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccccn1)C1CC1)CC2 903334486 AOIZZAZKDYBFLR-MJGOQNOKSA-N 289.382 3.681 30 20 CHED CC[C@@H](NCc1ccnc(C)c1)c1cccc(C#N)c1 903004552 DZWKFLJXXTZZRA-QGZVFWFLSA-N 265.360 3.503 30 20 CHED CC1(C)C[C@@H]1C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901379273 YQYNJWQNNOJARH-LLVKDONJSA-N 288.174 3.757 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(-c2ccc(F)cc2)s1 733883633 UGFSIZLXQZMXCP-UHFFFAOYSA-N 287.359 3.696 30 20 CHED N#CC1(CCCCn2cnc3ccccc32)CCC1 901377030 IOVMOQIRFPQRFZ-UHFFFAOYSA-N 253.349 3.900 30 20 CHED CC(C)(C)c1ncsc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839449066 LDLBULNAEMJCAV-GHMZBOCLSA-N 292.404 3.680 30 20 CHED COCCC(=NNc1cccc(F)c1)c1ccc(F)cc1 734746020 MSMZGCRLXUFENI-UHFFFAOYSA-N 290.313 3.818 30 20 CHED N#Cc1ccc(/C=C2\CCOc3cc(F)ccc3C2=O)s1 588419447 LJMBRBHEEDFTDQ-JXMROGBWSA-N 299.326 3.808 30 20 CHED CCCCCCCCCNC(=O)N1CCC(CCO)CC1 730114013 XUIXMRHTPOMNHK-UHFFFAOYSA-N 298.471 3.541 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1C2 735066653 UOPBOYBJSGYGGJ-ZDUSSCGKSA-N 277.367 3.952 30 20 CHED C=CCC[C@@H](NC[C@H](C(C)C)N1CCCC1)c1ccco1 583515639 LNGJMXBQROPCEZ-IAGOWNOFSA-N 290.451 3.997 30 20 CHED C=CCCC[C@H](C)OC(=O)c1cc(C)n(C(C)C)n1 835268735 ITMGTUAQRPBWEX-ZDUSSCGKSA-N 264.369 3.674 30 20 CHED N#Cc1cccc(CNC(=O)C2(C3CCCCC3)CC2)c1 905965344 GDTBVZQCKHZWJZ-UHFFFAOYSA-N 282.387 3.535 30 20 CHED N#Cc1cc(NC(=O)CCCC2CC2)nc2ccccc12 589797369 WSPPPKKOAKEHPS-UHFFFAOYSA-N 279.343 3.625 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 908635771 NMPSGTOVKZRYQL-JTQLQIEISA-N 297.807 3.541 30 20 CHED CC1(CSCCCCC2(C#N)CCC2)COC1 901802652 LXQIROGVVSAGOB-UHFFFAOYSA-N 253.411 3.620 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cncn2C(C)C)c1 901473521 HJHCEUSJGRPRPM-WAYWQWQTSA-N 268.360 3.977 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc(Cl)s2)c1 839384092 CYUXQKOQJDQGCF-UHFFFAOYSA-N 281.724 3.756 30 20 CHED CN(C)C[C@@](C)(C=NNc1ccccc1)c1ccccc1 834913798 DZRLGVWBILFQEV-GOSISDBHSA-N 281.403 3.604 30 20 CHED C[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 837904398 YPGSSSNQUFKRGE-CXAGYDPISA-N 269.344 3.765 30 20 CHED CC(=NNc1cnnc2ccccc12)c1ccc(F)c(F)c1 733750189 PABZDQBQBLCBTP-UHFFFAOYSA-N 298.296 3.744 30 20 CHED CC[C@@H](NCCc1ccccc1O)c1cccc(C#N)c1 902785962 JQMYGJPXQYHVKI-QGZVFWFLSA-N 280.371 3.547 30 20 CHED COc1cccc(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)c1 732766511 SKAPJZHCMNVBOP-IAQYHMDHSA-N 270.332 3.858 30 20 CHED C#Cc1cccc(CN[C@H](c2cccnc2)C2CCC2)c1 834903743 QQAAHCWPIUIZRP-IBGZPJMESA-N 276.383 3.694 30 20 CHED CN(CCCSc1ccc(C#N)cn1)c1ccccc1 581190331 KTQQTTJBLMUAMD-UHFFFAOYSA-N 283.400 3.572 30 20 CHED C(=NNc1cnc2ccccc2n1)c1ccnc2ccccc12 731313840 NOFDUNARKCQUKL-UHFFFAOYSA-N 299.337 3.624 30 20 CHED C=CCN(C(=O)CSc1ccc(C)cc1)C(C)C 915147815 LYRGBJPCVSAKEI-UHFFFAOYSA-N 263.406 3.510 30 20 CHED C/C(=C/C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 839052937 RBOAZDHUIGBFKI-KXWHGCDGSA-N 287.334 3.855 30 20 CHED CCOc1cccc(/C=N/[C@@H](C)Cc2ccsc2)c1O 918711917 BXTCQLYUWZXRQA-VAKHEIKFSA-N 289.400 3.903 30 20 CHED Cc1nc(C#N)c(NN=C(CC(C)C)c2ccccc2)o1 917555985 YNFGZEFQOFCEEY-UHFFFAOYSA-N 282.347 3.717 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)OCCC(C)(C)C#N 837832034 LSFNLLNKDMQKCP-CHWSQXEVSA-N 251.370 3.686 30 20 CHED C[C@@]1(C(=O)Nc2ccc(CC#N)cc2)CCc2ccccc21 592579702 ZKAKFHGEASQKHR-LJQANCHMSA-N 290.366 3.595 30 20 CHED S=C(NN=CC1CCCCC1)Nc1ccccc1 915923952 YFBCQAKBBAMFJU-UHFFFAOYSA-N 261.394 3.539 30 20 CHED Cc1cccnc1NN=C[C@@]1(C)C[C@@H]1c1ccccc1 841638615 SSWPNEDZBPJCFS-NVXWUHKLSA-N 265.360 3.982 30 20 CHED CCCCCC[C@@H](C)NN=Cc1scnc1C 743449961 DGTMQPJNRQFCBL-LLVKDONJSA-N 253.415 3.734 30 20 CHED C[C@@H]1CC2(CCOCC2)CN1c1ccc(C#N)c(Cl)c1 591994006 SZNGKVKYNTYEIU-GFCCVEGCSA-N 290.794 3.607 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nc3ccc(F)cc3o2)C1 919853951 QRNFZQXCWNWXHV-PSASIEDQSA-N 262.309 3.751 30 20 CHED CCC[C@@H](C)C(CC)=NNc1nccnc1Cl 748250690 FCBNTMYRSIXAKU-SECBINFHSA-N 254.765 3.744 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 915339839 MEXWVIMRCSGZIL-NZUILWFCSA-N 282.387 3.614 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1CCc2c(C)cccc21 596113641 UXSYDILWGQBQAA-INIZCTEOSA-N 263.344 3.670 30 20 CHED CCOc1ccc(CN(CCC#N)CC2CC2)c(C)c1 596995489 IIVILRVIEMXVDR-UHFFFAOYSA-N 272.392 3.519 30 20 CHED CN(C)c1ccc(C/N=C\c2cc(Cl)ccc2O)cc1 743341144 TXKBSMMDIRSMTM-WQRHYEAKSA-N 288.778 3.731 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(C)[C@H](C#N)CC 847170411 ZEDVNFCSIHLQCJ-KGLIPLIRSA-N 252.402 3.744 30 20 CHED C=C(Cl)CSc1nnc(COc2ccc(C)cc2)o1 914684994 VCEFQBVJNBKGFA-UHFFFAOYSA-N 296.779 3.802 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)CC1(C#N)CCCCC1 597375609 PYKRBUIRHJMGIQ-UONOGXRCSA-N 262.397 3.545 30 20 CHED N#Cc1cc(N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)ccn1 912122210 MLSBAMBOSWVGDR-QZTJIDSGSA-N 287.366 3.778 30 20 CHED Clc1ccc2c(NN=Cc3cc[nH]c3)ccnc2c1 745193198 IVOWLXFQOFTEDQ-UHFFFAOYSA-N 270.723 3.662 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)C#Cc1ccccc1 747363981 JVDKUJQEHRMHNA-LJQANCHMSA-N 289.378 3.710 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OCc1ccsc1 847652871 YMVISCRURLBYLS-GFCCVEGCSA-N 285.368 3.542 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1sccc1Cl 842022249 SFWGHHKNWJHDQW-UHFFFAOYSA-N 297.811 3.808 30 20 CHED CCCc1ccc(CCCC(=O)N(CC)[C@H](C)C#N)cc1 598351133 WMNTXRGKURYHRR-OAHLLOKOSA-N 286.419 3.722 30 20 CHED CC[C@@H](C)N(CC)C(=O)N[C@@H](CCC#N)c1ccccc1 596503133 IICFQSUSBYDOCC-ZBFHGGJFSA-N 287.407 3.861 30 20 CHED CC1(C)CCCC(=NNc2ncc(Br)cn2)C1 848421694 ZQTQWBYFSFPTGM-UHFFFAOYSA-N 297.200 3.607 30 20 CHED C[C@H](COC(=O)c1ccc(C(C)(C)C#N)cc1)CC(F)F 842445587 ZURYSUOTSIERQQ-NSHDSACASA-N 295.329 3.936 30 20 CHED Cc1cnc(C[S@@](=O)CCC2(C#N)CCCCC2)s1 841721391 AQZVRXNZPGCPRD-IBGZPJMESA-N 296.461 3.564 30 20 CHED C=CCN(C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1)C(C)C 744364083 YZUHYYRUBMPCFX-PMPSAXMXSA-N 281.440 3.783 30 20 CHED C=CC[C@H](Cc1ccccc1)NC1CC(C(F)F)C1 840970504 AKTHOHSCOCAXBI-SHARSMKWSA-N 265.347 3.807 30 20 CHED C(=NOCc1ccccc1)c1ccc2ccccc2n1 741458503 NAEKONVKZPNUJG-UHFFFAOYSA-N 262.312 3.786 30 20 CHED C=CCOc1ccc(Oc2nc(C)cc(CC)n2)cc1 680956153 PTJAVXQRZAPHTL-UHFFFAOYSA-N 270.332 3.705 30 20 CHED COc1ccc(C)cc1/C=C1\Cc2c(F)cccc2C1=O 921264702 XQIFNEKCYSBOEZ-UKTHLTGXSA-N 282.314 3.965 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ocnc1C1CC1 851141550 BCRKOVAOZDLPFN-YPMHNXCESA-N 275.348 3.844 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1ccc(F)cc1O 850488181 LUDBDCOAQNZIQY-KRWDZBQOSA-N 298.361 3.686 30 20 CHED CCC(=NO[C@@H]1CCCCO1)c1ccc(Cl)cc1 755819468 AEBNCVRUFVKXHF-CQSZACIVSA-N 267.756 3.997 30 20 CHED Cc1cccc(-c2ccc([C@@H]3NC(=O)C3(C)C)cc2)c1C#N 854172317 ZWNNECDRELNKRR-KRWDZBQOSA-N 290.366 3.731 30 20 CHED C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@H](C)CC(C)(C)C#N 851209780 JYQVBOSANJIBQX-QWHCGFSZSA-N 291.366 3.876 30 20 CHED C=C(Cl)COC(=O)C[C@H](C)c1ccc(F)cc1F 751861855 UTEHPXLPDSPZEA-QMMMGPOBSA-N 274.694 3.754 30 20 CHED CN(C(=O)C#CC1CC1)[C@H]1CCCC[C@H]1c1ccccc1 854952961 PUSWDWHDUMAHMW-ROUUACIJSA-N 281.399 3.585 30 20 CHED CC1(C)C[C@@]1(C)NC(=S)Nc1ccc(C#N)c(Cl)c1 853031202 IDRYQWDATKUXTP-CQSZACIVSA-N 293.823 3.687 30 20 CHED CCCCON=Cc1cc(Cl)c(OC)c(OC)c1 754276853 RSFTUQUFGYINNN-UHFFFAOYSA-N 271.744 3.508 30 20 CHED CO[C@H](C=NOCc1ccc(C(F)(F)F)cc1)C1CC1 853322929 ISKMFWSCSZGGAF-CYBMUJFWSA-N 287.281 3.633 30 20 CHED COc1cccc2c1CC[C@H]2/N=C\c1ccccc1O 759642583 HYSPRFOLWLCXFG-JQFNYASXSA-N 267.328 3.507 30 20 CHED C/C(=C\C(=O)N(C1CC1)[C@@H](C)C#N)c1cccc(Cl)c1 855582830 PAVNZMGCWTWTEH-OBIHZWKSSA-N 288.778 3.646 30 20 CHED COc1ccc(O)c(C=Nc2cc(Cl)ccc2F)c1 920944998 LUAABPTWCJRWOK-UHFFFAOYSA-N 279.698 3.944 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2)cc1 753428933 RSEPXIJAGUZLRA-AWEZNQCLSA-N 281.311 3.938 30 20 CHED CC(C)(C)c1ncc(C=NNc2cccc(C#N)c2)s1 920370413 IKJUDNPGOFOFHK-UHFFFAOYSA-N 284.388 3.758 30 20 CHED CCCOc1cc(F)ccc1N=Cc1cccc(O)c1O 759643277 LXGQKDTWLYVEDD-UHFFFAOYSA-N 289.306 3.776 30 20 CHED C=CCCCOC(=O)CCc1cccc(OC(C)(C)C)n1 758532443 CBHQDNLVDSXCDI-UHFFFAOYSA-N 291.391 3.701 30 20 CHED C=C1CC(c2noc([C@@]3(c4ccccc4)CCCO3)n2)C1 924122706 SOOBQGNMGQAANP-KRWDZBQOSA-N 282.343 3.557 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C=C1\CC[C@H](C)C1 753626792 UPYLZDAQIVFWIV-CVCOIXHCSA-N 287.334 3.523 30 20 CHED COCCCC(C)=NNc1cccc2c1CCCC2 759200963 DQKXWSAZTSKWOD-UHFFFAOYSA-N 260.381 3.780 30 20 CHED CSc1ccc(/C=C/C(=O)N[C@@H](C#N)CC(C)C)s1 859095166 NDTITQVMYJCHML-DUMNWFOQSA-N 294.445 3.538 30 20 CHED CC(C)CCC(=O)OCc1ccc(C#N)cc1OC(F)F 752532760 PYXHWMALVVAZJY-UHFFFAOYSA-N 297.301 3.639 30 20 CHED N#CC1(CCCCN2CCOC[C@@H](C3CCC3)C2)CCC1 930556349 VRYUZNSIGXNYOZ-KRWDZBQOSA-N 290.451 3.599 30 20 CHED Cc1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)nc1 769510156 NJBHNBSEHWZQBQ-UHFFFAOYSA-N 299.418 3.619 30 20 CHED Cn1cnc2cc(/C=C\C(=O)c3ccsc3)ccc21 761197476 DIBLCPBPRNTIDS-HYXAFXHYSA-N 268.341 3.531 30 20 CHED N#Cc1ccc2c(c1)N(c1cc(Cl)nc(C3CC3)n1)CC2 767291540 ZZVDELWSSFNAGE-UHFFFAOYSA-N 296.761 3.573 30 20 CHED C#CCCc1noc(-c2ccc(-n3c(C)ccc3C)cc2)n1 762000454 GBGVWONIYZLVBM-UHFFFAOYSA-N 291.354 3.710 30 20 CHED CCCCNN=CC1CCC(C(F)(F)F)CC1 767370744 MNRXASUNQSJSTO-UHFFFAOYSA-N 250.308 3.731 30 20 CHED C#CCCCOc1cccc(C(=O)Nc2ccccc2)c1 766741388 IGCOEIYJQVHGON-UHFFFAOYSA-N 279.339 3.731 30 20 CHED CO[C@H](C)C(C)=NN=C1c2ccccc2-c2ccccc21 763149524 LRYCBJHWNSFZMH-CYBMUJFWSA-N 278.355 3.915 30 20 CHED Cc1cc(OC(=O)[C@@H]2C[C@H]2c2sccc2C)ccc1C#N 765114198 UBZHBXJOOKEPAA-HUUCEWRRSA-N 297.379 3.946 30 20 CHED CC(C)(C#N)CCCCOC(=O)/C=C/c1ccccc1C#N 768537322 ALNBCMFDZSTKEY-MDZDMXLPSA-N 296.370 3.835 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)[C@@H](C#N)c1ccncn1 760333764 MHKAHAGPDDCTLS-CABCVRRESA-N 285.391 3.649 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(F)c(Cl)c2)c(F)c1 769737932 ASYPLVSHOLOMFV-UHFFFAOYSA-N 293.656 3.709 30 20 CHED CCCCCCCC(=O)N[C@@H](C)CC(F)(F)F 766621682 UZBFUANNYAMCDX-JTQLQIEISA-N 253.308 3.804 30 20 CHED C=CCNC(=S)N1CCC[C@@H]1CCCc1ccccc1 767690994 KTXOJKMEXBUNND-INIZCTEOSA-N 288.460 3.534 30 20 CHED N#Cc1cc(NC(=O)CCCC(F)(F)F)c(F)cc1F 876351282 XCGNRSAXWVUVLI-UHFFFAOYSA-N 292.207 3.508 30 20 CHED Cn1cc(/C=C2/C(=O)c3ccccc3SC2(C)C)cn1 871671201 IVEAIWWUQUJTJT-JYRVWZFOSA-N 284.384 3.571 30 20 CHED CCON=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1115818803 ALSCZBNABMVLHD-UHFFFAOYSA-N 294.694 3.879 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1c(C)cccc1Cl 877935978 PDLCYBGDNBWZAF-CYBMUJFWSA-N 294.826 3.873 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 879696782 UFROXRRJMKMVGH-JTQLQIEISA-N 277.330 3.778 30 20 CHED COc1cccc(NN=C/C(C)=C/c2ccccc2)n1 779817296 JGSJAHDIOMOKRF-VZPDHROTSA-N 267.332 3.591 30 20 CHED C/C(=C\C(=O)OCc1cccc(C#N)c1F)c1ccccc1 774935781 UQRYJFBKIWMNLQ-JLHYYAGUSA-N 295.313 3.844 30 20 CHED C=CC[C@H](CC)NCc1ccc(-c2cnn(C)c2)cc1 1116901429 GMUNLBKLMOZHJH-KRWDZBQOSA-N 269.392 3.531 30 20 CHED CC(C)(C)CCNN=C1CCCNc2ccccc21 774411897 ZAXUCVIWNNAZNY-UHFFFAOYSA-N 259.397 3.622 30 20 CHED C=CCN(CC=C)C(=O)NCc1cccc(C(F)F)c1 1116705570 MBPGWBFPNJQTBV-UHFFFAOYSA-N 280.318 3.508 30 20 CHED CCOCCON=Cc1csc(-c2ccc(C)cc2)n1 774416300 COHXLWDIGISSCH-UHFFFAOYSA-N 290.388 3.506 30 20 CHED C(=NOC1CCCCC1)c1cnc([C@H]2CCCO2)s1 777457140 MEDZBHPJYHGGOA-CYBMUJFWSA-N 280.393 3.678 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2ccc(F)cc2F)c1 774119857 OJEJWZNRSSATCD-DAXSKMNVSA-N 288.249 3.559 30 20 CHED C=CC[C@@H](C)NC(=O)N1Cc2ccccc2C2(CCC2)C1 1117283296 LDEBCBOIBGFXNT-CQSZACIVSA-N 284.403 3.598 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)c1ccc(N(C)C)cc1 773908040 YEFSTQFIQCIVIH-HCZVKUGISA-N 298.386 3.647 30 20 CHED Cc1cccc(OC(=O)c2ccc(C#N)c(Cl)c2)c1 777402620 VSYRGOOHPHVGPX-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C[C@H]1CC[C@@H](Nc2cc(C#N)c3ccccc3n2)C1 132733606 UFCLIIVYUMULOW-WCQYABFASA-N 251.333 3.707 30 20 CHED C[C@H](NCc1ccc(CF)cc1)c1cccc(C#N)c1 777722815 VJERGRPIYHEWNO-ZDUSSCGKSA-N 268.335 3.879 30 20 CHED C[C@H](c1nc2ccccc2s1)N(C)CCCCC#N 57620423 RBTSSSLHRASAPN-GFCCVEGCSA-N 273.405 3.983 30 20 CHED Oc1ccccc1/C=N/Cc1ccc(Cl)cc1F 777401401 NOQISZPEYYQNFZ-RQZCQDPDSA-N 263.699 3.804 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(C(F)F)cc1 776381906 NKGWABCEYNBQJC-UHFFFAOYSA-N 267.275 3.721 30 20 CHED CSc1ccc(/C=C2/C(=O)Nc3cc(C#N)ccc32)cc1 773152180 ZVVBLTRIIWEDCL-OVCLIPMQSA-N 292.363 3.773 30 20 CHED CC(C)(C#N)CCOC(=O)c1cccc(-n2cccc2)c1 776369368 NCDUWYIBINOUFY-UHFFFAOYSA-N 282.343 3.574 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@H]1CCCC[C@H]1C 775940716 SPWZCFSUCLVBKN-HUUCEWRRSA-N 285.387 3.854 30 20 CHED CC(=NNc1nccnc1C(C)C)c1c(F)cccc1F 773078880 QUPJTBBBYIBYDB-UHFFFAOYSA-N 290.317 3.714 30 20 CHED CCCc1ncc(C(=O)O[C@H](C#N)C2CCCCC2)s1 776389275 JYQLTOBAJRTWAG-GFCCVEGCSA-N 292.404 3.725 30 20 CHED N#CCc1ccccc1C(=O)Nc1cccc(Cl)c1 58248274 WEBWJFBPDHYVGY-UHFFFAOYSA-N 270.719 3.658 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2CC1(C#N)CC1 775987545 XJSHHQRAQNJMNI-UHFFFAOYSA-N 254.377 3.650 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cn3cc(C)ccc3n1)C2 789141134 AUAPJPCAZOBWOD-DHDCSXOGSA-N 288.350 3.774 30 20 CHED CC(C)n1cc(Cl)c(NCc2cccc(C#N)c2)n1 886367036 GVUBFGQFJUKNRS-UHFFFAOYSA-N 274.755 3.601 30 20 CHED C=CC(C)(C)CC(=O)N[C@](C)(CC)c1nc(C)cs1 889198731 ZFJUXIVSRNXNSZ-OAHLLOKOSA-N 280.437 3.795 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC(C)(C)C1 781613780 DOIDCHPRKQHVGX-OAHLLOKOSA-N 287.378 3.614 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(Cl)c1O 787330863 FJVUIHGIJBSTEH-INIZCTEOSA-N 298.773 3.694 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)cc1 1129491844 LBIJMXSANSOLRP-KURKYZTESA-N 298.430 3.954 30 20 CHED N#Cc1ccc(Cl)cc1N1CCc2ccc(F)cc2C1 301736465 HNYPQRHAVNONRL-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(c2ccc(C#N)cc2)CC1 887696159 OOCAZTMJIDVQBP-OAHLLOKOSA-N 296.414 3.867 30 20 CHED C=C1CCC(C(=O)Nc2ccc(F)cc2F)CC1 887608594 JCJYLEYHYJRHAG-UHFFFAOYSA-N 251.276 3.650 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2ccc(Cl)nn2)C1 783777980 OAUBYCKYYLKWPL-GHMZBOCLSA-N 266.776 3.744 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 1120813619 IKTQJASFBRKLGJ-AWEZNQCLSA-N 265.303 3.536 30 20 CHED CC[C@H](C#N)N(CC)C(=O)C[C@H](C)c1ccc(F)cc1F 1121161728 WLKYHYIWYUFFDI-WCQYABFASA-N 294.345 3.609 30 20 CHED Cc1nc(C#N)c(NN=C2CC[C@](C)(c3ccccc3)C2)o1 780212820 LIMYUGPVOJUXGT-KRWDZBQOSA-N 294.358 3.764 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2nccnc2Cl)C1 783846299 LSBQXDYWLCNMAJ-QWRGUYRKSA-N 266.776 3.744 30 20 CHED Cc1cc(N[C@H](C)CC(C)(C)C#N)ccc1CN(C)C 894866397 VMXRTNTUGIXMTD-CQSZACIVSA-N 273.424 3.797 30 20 CHED Cc1cc(C(=O)/C=C\c2cc3cc(F)ccc3o2)n(C)n1 789158928 IWNGFURKRVKHNI-PLNGDYQASA-N 284.290 3.510 30 20 CHED Cc1ccc2nc(/C=C3/CCc4sccc4C3=O)cn2c1 789141926 HWWURYOSZSHVDU-WQLSENKSSA-N 294.379 3.917 30 20 CHED Fc1cccc(NN=Cc2scnc2C2CC2)c1 782202426 ZRGBKHBWHJPJGY-UHFFFAOYSA-N 261.325 3.606 30 20 CHED COc1ccc(NN=C(C)[C@H](C)c2ccccc2)nc1 780269612 SXLKIYBSGVUOGZ-LBPRGKRZSA-N 269.348 3.682 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)[C@H]1CC12CCCC2 780038207 ZHLAXHNUJSCINQ-CQSZACIVSA-N 289.762 3.835 30 20 CHED COCCC(=NNc1ccc(C#N)c(Cl)c1)C(C)C 783874637 CCCRERLHDKSVFB-UHFFFAOYSA-N 279.771 3.672 30 20 CHED C=C1CCC(C(=O)O[C@H](C)c2ccc3c(c2)CC(=O)N3)CC1 892659433 LNBAFJKZTYDJLI-GFCCVEGCSA-N 299.370 3.532 30 20 CHED CC1(C#N)CCC(NCC(C)(C)C2CCOCC2)CC1 897445401 GTJDLAIRNVVRDI-UHFFFAOYSA-N 278.440 3.501 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N(CC#N)c1ccccn1 892465160 RSDOELDQFJNUGC-OAHLLOKOSA-N 285.391 3.545 30 20 CHED CC(C)Cc1ccccc1C(=O)OCC1(CC#N)CC1 791817458 PDDGVMVYCVMNEW-UHFFFAOYSA-N 271.360 3.736 30 20 CHED C[C@H]1C[C@@H](Nc2cccc(Cl)c2C#N)CS1 397847654 ITYQQMVEDOINFP-DTWKUNHWSA-N 252.770 3.518 30 20 CHED CC[C@@H](C)NN=C[C@@H](C)c1cccc(Br)c1 790187377 AMRDNFZCJQJEBA-GHMZBOCLSA-N 283.213 3.927 30 20 CHED FCC[C@@H]1CCCC1=NNc1cnnc2ccccc12 794912713 LUKFHJUMMMOQOT-NSHDSACASA-N 272.327 3.557 30 20 CHED C#Cc1cncc(C(=O)Nc2ccc(Cl)cc2Cl)c1 798242944 NPODULWYDCNDKX-UHFFFAOYSA-N 291.137 3.622 30 20 CHED CCCCCCCNc1ccc(C(=O)NC)cc1C 59471739 AMORJZQSZQRCNF-UHFFFAOYSA-N 262.397 3.737 30 20 CHED CCOc1ccccc1/C=C1/COc2cc(F)ccc2C1=O 794726763 FEBHOIHQHKUSSY-LCYFTJDESA-N 298.313 3.883 30 20 CHED N#CCc1ccc(COC(=O)c2sccc2Cl)cc1 797228240 OHAOGXVAZUAMGC-UHFFFAOYSA-N 291.759 3.825 30 20 CHED Cc1ccc(C#N)c(N2CC[C@@H](C3CCCCC3)C2)n1 708817252 XVNZGDANMIOHDC-MRXNPFEDSA-N 269.392 3.668 30 20 CHED Cc1ccc(C(=O)N2CCCc3cccc(C)c32)cc1C#N 799300462 VUVNXGCBTMBLRZ-UHFFFAOYSA-N 290.366 3.768 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccccc1C#N 799498938 FYOHGJFFCLDKIC-HJWRWDBZSA-N 279.343 3.540 30 20 CHED CCCCCCCN(C)Cc1ccc(O)c(OC)c1 750040969 LUCNJSKBJYNBHS-UHFFFAOYSA-N 265.397 3.803 30 20 CHED N#CCOc1cccc(NCc2cnc(C3CC3)s2)c1 779589179 YNKTYKLIVVVQQY-UHFFFAOYSA-N 285.372 3.535 30 20 CHED N#Cc1cccc(SCCN2CCc3ccccc32)c1 1165755430 QTBWFNIEUPPZGE-UHFFFAOYSA-N 280.396 3.713 30 20 CHED COc1ccc([C@H](C)CCNc2cccc(CC#N)n2)cc1 1320655904 MADSJYGXUWJRNS-CQSZACIVSA-N 295.386 3.762 30 20 CHED C=CC(C)(C)c1nnc(COc2cc(C)ccc2C)o1 1327009270 XWOFXBUBOZCMPH-UHFFFAOYSA-N 272.348 3.729 30 20 CHED CC[C@H](NC(=O)CC#Cc1ccccc1)c1ccc(F)cc1 1325224524 ZALIPXARILOFTL-SFHVURJKSA-N 295.357 3.835 30 20 CHED COc1ccc(C#N)cc1NC1CCC(CSC)CC1 1657718118 ZKERCWNMGWINKA-UHFFFAOYSA-N 290.432 3.901 30 20 CHED CCC(C)(C)c1ccc(Nc2cc(C#N)cnn2)cc1 1186360228 SXJCTJJMTPSCHS-UHFFFAOYSA-N 266.348 3.779 30 20 CHED CN(C)c1ncccc1/C=C1/Cc2c(Cl)cccc2C1=O 1258513732 ZTZGNLAUCUCCQY-XFXZXTDPSA-N 298.773 3.623 30 20 CHED CN(c1ccnc(C#N)c1)[C@@H]1CCC[C@H]1c1ccccc1 1186675434 KUHDHJTYEOGTJJ-ZWKOTPCHSA-N 277.371 3.726 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)c1 1336237550 DJWRUSSHTNASKV-OAHLLOKOSA-N 270.376 3.530 30 20 CHED C=C[C@@H](COC)N[C@H]1CCC(C)(C)c2ccccc21 1339696548 JCGCCOGURYZOJY-BBRMVZONSA-N 259.393 3.590 30 20 CHED C=C[C@H](COC)NCc1cc(-c2ccccc2)cs1 1255020287 ZISYZRUDCDYYBH-OAHLLOKOSA-N 273.401 3.706 30 20 CHED COc1c(C)ccc(NC(=O)c2cc(C#N)ccc2C)c1C 1264492018 ZZVKVWSSACFJDF-UHFFFAOYSA-N 294.354 3.744 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)[C@]1(C#N)CC12CCCC2 1340562051 FJENBLCHRTZVPO-CXAGYDPISA-N 274.408 3.545 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(C(F)(F)F)ccn1 1262810146 ZCEZLVUTSJGPDN-LBPRGKRZSA-N 298.308 3.671 30 20 CHED C=C(C)CCC(=O)N(Cc1ccccc1)C[C@](C)(O)CC 1353653615 DVJIHUXPTRONBW-GOSISDBHSA-N 289.419 3.533 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCC[C@H]1C 1359141846 TYLHVRMJPJKSCX-ZYHUDNBSSA-N 282.819 3.533 30 20 CHED C=C(CC)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@H](C)CC 1350909041 VBHXYCRLNLELJF-IAQYHMDHSA-N 285.391 3.733 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](C)c1ccsc1 1357430254 FFWDZVKZQQJYAU-OCCSQVGLSA-N 278.421 3.949 30 20 CHED Cc1csc(NC(=O)N2CC[C@@H]2C(C)(C)C)c1C#N 1517656987 KBTYVBULQGXWCI-LLVKDONJSA-N 277.393 3.581 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@H]1C[C@H]1C)c1cccs1 1515587260 FUZVEYOIAXYONG-DCQANWLSSA-N 263.362 3.538 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc(Cl)cc1F 1440472689 UDLWHVFSJDDQDE-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C[C@H](NC(=O)Cc1cccc(C#N)c1)C1CCCCCC1 1521915506 YVWLOFNQNRCJPL-AWEZNQCLSA-N 284.403 3.576 30 20 CHED Cc1ccc(F)cc1C(=O)N1CCCc2cc(C#N)ccc21 1460305145 YOWMZYFCQLBEBN-UHFFFAOYSA-N 294.329 3.599 30 20 CHED CC1(C)/C(=C\c2cc(C(=O)O)co2)C(=O)c2ccccc21 1604506364 VQCPVAHDTSBFEA-ZSOIEALJSA-N 282.295 3.535 30 20 CHED N#Cc1ccc(F)c(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)c1 1460794386 YTNBXDDORYTDPP-RYUDHWBXSA-N 286.350 3.852 30 20 CHED Cc1ccc2cc(C(=O)/C=C\c3ccc(C(=O)O)[nH]3)oc2c1 1607834222 TVAILYNTKOKKIP-ALCCZGGFSA-N 295.294 3.664 30 20 CHED N#Cc1csc(C(=O)O[C@@H]2CCCOc3ccccc32)c1 1535606101 WRLNEIRBYVSUMU-CQSZACIVSA-N 299.351 3.690 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)c1ccc(C#N)cc1 113317190 ISOUGVBITDJZEX-NSHDSACASA-N 265.291 3.742 30 20 CHED N#Cc1cccc(CNc2cccc(-c3nccs3)c2)n1 1560703702 KLUBZRLMJFACDS-UHFFFAOYSA-N 292.367 3.689 30 20 CHED Cc1ccc(C[C@H]2CCCN2C[C@H](C)CCC#N)cc1 1651857500 INLSTGKGWGXYIT-SJLPKXTDSA-N 270.420 3.942 30 20 CHED Cc1ccc(F)c(CN(C)c2cccc(F)c2C#N)c1 1651017153 KXWWJBDTFJRARX-UHFFFAOYSA-N 272.298 3.781 30 20 CHED N#Cc1c[nH]nc1NCc1ccc(-c2ccc(F)cc2)s1 1657332094 PNNGHVFUMQWTAB-UHFFFAOYSA-N 298.346 3.761 30 20 CHED N#Cc1ccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1F 1583081623 XYTYGFYTTBHRMM-ZIAGYGMSSA-N 286.350 3.852 30 20 CHED C[C@@H](ON=Cc1cccc(F)c1C(=O)O)c1ccccc1 1776082982 FTQGXSAAAJIWEW-LLVKDONJSA-N 287.290 3.636 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)s2)cc1 1776114416 OTYUZXYDWOOCKA-VURMDHGXSA-N 272.325 3.651 30 20 CHED C=CCCC[C@H](NC[C@H](C)CCc1ccccc1)C(=O)O 1776171235 QBBNDZSQSBINPP-WBVHZDCISA-N 289.419 3.654 30 20 CHED Cc1ccc(C=NNC2CCC(C)(C)CC2)cc1C(=O)O 1776097816 DLGNLHWXWCGYDC-UHFFFAOYSA-N 288.391 3.586 30 20 CHED C=C(Cn1c(C(C)C)nnc1N(C)CC)c1ccccc1 1690321836 MQCRNRNANLXQJZ-UHFFFAOYSA-N 284.407 3.571 30 20 CHED Cc1cc(F)c(C(=O)Oc2ccc(C#N)cc2F)cc1F 158302375 SRWCZQKVRCUYRQ-UHFFFAOYSA-N 291.228 3.503 30 20 CHED N#CCC[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 158961395 CUXPINXKNFSKLM-MRXNPFEDSA-N 279.343 3.853 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2ccc(F)c(C#N)c2)cc1 160661833 XIRJECNIUUWODM-CYBMUJFWSA-N 298.361 3.899 30 20 CHED COc1ccnc(CSc2ccc(C#N)cc2Cl)c1 163339163 UJHMMLLUMJNWJP-UHFFFAOYSA-N 290.775 3.908 30 20 CHED Cc1cc(C#N)ccc1CSc1cccc(O)c1 166213631 ULJPMAJCHKZPEZ-UHFFFAOYSA-N 255.342 3.865 30 20 CHED CCN(C(=O)c1csc(C(C)C)n1)c1ccc(C#N)cc1 152175617 IESSONZVOOUSKJ-UHFFFAOYSA-N 299.399 3.805 30 20 CHED CCn1cc(/C=C2\C(=O)c3cccc(C)c3[C@@H]2C)cn1 157598734 XVCZLOFBRINHLI-PWDRSIHYSA-N 266.344 3.595 30 20 CHED C=C(Cl)C[S@](=O)[C@@H]1CCc2c(Cl)cccc21 154001732 YAPFJSKVCBADNO-MLGOLLRUSA-N 275.200 3.829 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)OC2(CCCC2)O3)o1 157961519 PIEAIHACIDSMGB-UHFFFAOYSA-N 296.326 3.805 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)N[C@H](C)CC#N 159746195 DZFYBBXQQXHSEL-SECBINFHSA-N 297.811 3.876 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1cc(C#N)ccc1F 25436308 SMNWUGQHOOLDBD-LLVKDONJSA-N 286.375 3.878 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]1C1CCC1 186202845 MUYQTCJFJUWOPT-QGZVFWFLSA-N 254.377 3.631 30 20 CHED N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 301650134 JJUXOBYOJBRPDF-NFAWXSAZSA-N 276.767 3.581 30 20 CHED C=CCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 302030104 RSGNTVIYPNYPDJ-LLVKDONJSA-N 259.309 3.623 30 20 CHED N#Cc1cncc(Sc2ccc(Cl)cc2Cl)n1 401297654 OZNANBGEZOTVPJ-UHFFFAOYSA-N 282.155 3.806 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc(C)c2C)c1 308135849 OELRBVDVNUEJSG-UHFFFAOYSA-N 264.328 3.736 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(Cl)ccc2F)c1 308224377 QBVFCTAODTWTET-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(C(C)=O)cc1 664469332 IZWQXNZBTGWUIR-UHFFFAOYSA-N 274.364 3.756 30 20 CHED CS[C@H]1CC[C@@H](N(C)CCCCC(C)(C)C#N)C1 687678813 RZGMUYUWFKRRAP-KGLIPLIRSA-N 268.470 3.922 30 20 CHED CCCCCCCc1nc(C2C[C@@H]3CC[C@H](C2)N3)no1 712830092 YLMCPLBBTPLGQE-AGUYFDCRSA-N 277.412 3.581 30 20 CHED N#Cc1cccc(CNCCCSc2ccccc2)c1 57597960 NFIXQKXYTKUYDH-UHFFFAOYSA-N 282.412 3.830 30 20 CHED N#Cc1cccc(CN2CCS[C@@H]3CCCC[C@H]32)c1F 340887446 ZKWAUTLSWUOJAD-HUUCEWRRSA-N 290.407 3.557 30 20 CHED CCCCCCCC(=O)N(C)[C@@H](CO)c1ccccc1 221690852 JYKSFXMGDLRPJC-INIZCTEOSA-N 277.408 3.539 30 20 CHED C=CCN(C[C@@H]1C[C@H]1c1ccccc1)CC(F)(F)F 459321073 GPZXDBNRCLCBMK-KBPBESRZSA-N 269.310 3.840 30 20 CHED C=C(C)CNC(=S)Nc1cccc(OCC(C)C)c1 54947615 SLEZGBUZBOLICN-UHFFFAOYSA-N 278.421 3.584 30 20 CHED CCCOc1ccc(NC(=O)c2cccc(C#N)c2)cc1 51786409 QZHWTWITPRLEIQ-UHFFFAOYSA-N 280.327 3.599 30 20 CHED C[C@H](C#N)CNCc1ccc(SC(F)(F)F)cc1 54179089 NUJWSJJNNCEZJP-SECBINFHSA-N 274.311 3.548 30 20 CHED COc1ccc(C#N)cc1CNC(C)(C)c1cccc(F)c1 179567973 ORSSAXZSVDABDO-UHFFFAOYSA-N 298.361 3.731 30 20 CHED C[C@@H]1CCCCN1Cc1ccc(NC(=O)C(C)(C)C#N)cc1 55459029 QWWZMHCCMCPXBU-CQSZACIVSA-N 299.418 3.549 30 20 CHED Cc1cc(C)c(C(=O)COc2ccc(C#N)c(F)c2)cc1C 316559484 NRAYVQXJJSUJGQ-UHFFFAOYSA-N 297.329 3.884 30 20 CHED CC(C)(C)OCCSCc1cc(C#N)ccc1F 108414084 JWXWBDVTDDGULQ-UHFFFAOYSA-N 267.369 3.746 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C1CC1)[C@@H](C)C1CC1 175747912 RMDSSAWVEOJZSE-LBPRGKRZSA-N 283.375 3.662 30 20 CHED CC(=O)Nc1ccc(Cl)c(NCc2cccc(C#N)c2)c1 178367843 FQJMOYILYCMRLU-UHFFFAOYSA-N 299.761 3.782 30 20 CHED C=CC1CCN(Cc2ncc(-c3cccs3)o2)CC1 111256287 WKUULVALZKUKEW-UHFFFAOYSA-N 274.389 3.801 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1cccc(Cl)c1 177868858 DLVXDAOVMHVMDW-JTQLQIEISA-N 269.797 3.976 30 20 CHED C=CCN1CCC(N[C@H](C)c2cc(C)sc2C)CC1 177905517 OYMSIUCXDWMTDM-CYBMUJFWSA-N 278.465 3.666 30 20 CHED Cc1cccc(C(C)(C)CNC(=O)c2cccc(C#N)c2)c1 62929543 FSGKAPSPPQSPBL-UHFFFAOYSA-N 292.382 3.574 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 119857271 LLXFITRAMINNPX-NVXWUHKLSA-N 269.388 3.585 30 20 CHED CCc1cccc(N/C(N)=N/Cc2cc3ccccc3o2)c1 303893684 SCCIYTCHCWKPON-UHFFFAOYSA-N 293.370 3.922 30 20 CHED C#Cc1cccc(NC(=O)c2ccccc2OC2CCC2)c1 118202591 OLZRNBJKKLRXIE-UHFFFAOYSA-N 291.350 3.852 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1Nc1c(F)cc(C#N)cc1F 302459213 OTAKHBCGDCZTIX-CABCVRRESA-N 294.345 3.842 30 20 CHED Cc1ccc(C)c(CC(=O)Nc2cccc(C#N)c2C)c1 178383209 SQXPKEAKJAEXGK-UHFFFAOYSA-N 278.355 3.665 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@](C)(c2ccccc2)C1 116974236 NKWNWSOUBRAMEE-YJBOKZPZSA-N 286.419 3.714 30 20 CHED Cc1cccn2c(/C=C3/CCc4ccccc4C3=O)cnc12 172690825 DFPMTSBWLFWETK-PTNGSMBKSA-N 288.350 3.855 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H]2CCCC[C@@H]21 501254653 SGUJJOIEHADNJU-RDJZCZTQSA-N 284.403 3.721 30 20 CHED CCCC(=O)Nc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 185781882 XIAUJRUZYZTQCA-ZBFHGGJFSA-N 299.418 3.597 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cncc2ccccc12 121711270 WYPQMXQQFSZQBM-UHFFFAOYSA-N 295.386 3.827 30 20 CHED Cc1cccc(O[C@@H](C)CNc2c(C#N)cccc2C#N)c1 302904946 VMLBQSSYDPMWDR-AWEZNQCLSA-N 291.354 3.618 30 20 CHED CCCCc1ccc(CC(=O)N(CC#N)C2CCCC2)cc1 303738579 HOYURZBXPUGUDD-UHFFFAOYSA-N 298.430 3.866 30 20 CHED CCCCCCCC(=O)N[C@@H](COC)c1ccc(C)o1 173713508 MFRGHJOELCQABX-AWEZNQCLSA-N 281.396 3.752 30 20 CHED CCc1cc2c(Oc3ccc(C#N)cc3)ncnc2s1 24057075 YYEIBFIMVDYKJY-UHFFFAOYSA-N 281.340 3.918 30 20 CHED C=CCCOC(=O)c1ccc(Oc2ccccc2)nc1 113655235 RKHUVMTVGWRWIN-UHFFFAOYSA-N 269.300 3.607 30 20 CHED CCc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)s1 116799987 BYQLTNTYFFJTMA-IAQYHMDHSA-N 276.405 3.513 30 20 CHED Cc1ccccc1CCC(=O)N[C@]1(C#N)CCC[C@H](C)C1 116811237 FFMCGKCHLSAAQK-KBXCAEBGSA-N 284.403 3.516 30 20 CHED CC(C)c1ccc(NC(=O)c2cc(C#N)cs2)cc1 176814303 INYGZURJTYOFFE-UHFFFAOYSA-N 270.357 3.995 30 20 CHED N#CC1(CCSc2cccc(C(N)=O)c2)CCCCC1 413006148 XWQQWDRHQYCCPF-UHFFFAOYSA-N 288.416 3.742 30 20 CHED Cc1ccc(C)c(NC(=O)CNc2cc(C#N)ccc2C)c1 63890001 QSBTWASOULNHKT-UHFFFAOYSA-N 293.370 3.534 30 20 CHED CCC(CC)NC(=O)N[C@H](CCC#N)c1ccccc1 178762237 OTADXQPHVMPXCT-OAHLLOKOSA-N 273.380 3.519 30 20 CHED CC(C)C[C@H]1OCCC[C@H]1Nc1cccc(F)c1C#N 302416470 IWRNUOIWUJIKTP-HZPDHXFCSA-N 276.355 3.703 30 20 CHED N#Cc1cccc(Sc2ccc(C(F)(F)F)nn2)c1 301967570 OXDFWYCYVOMSDC-UHFFFAOYSA-N 281.262 3.518 30 20 CHED Cc1cccc2cc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)oc12 408004237 KAUHEUATZUZKKP-KPZWWZAWSA-N 296.370 3.944 30 20 CHED C=CCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 172022028 PIUIFVXOXQGAKR-SNVBAGLBSA-N 289.285 3.574 30 20 CHED COc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1C#N 302881985 JLAGWRUEVQGSHM-UHFFFAOYSA-N 294.232 3.773 30 20 CHED Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 37131475 FFKWMYZZTALQHW-LBPRGKRZSA-N 281.315 3.948 30 20 CHED CN(c1snc(Cl)c1C#N)C1CCCCCC1 301936829 VEMKMZPWPBWZNI-UHFFFAOYSA-N 269.801 3.827 30 20 CHED CC[C@H](c1ccncc1)N(C)CCCC(C)(C)C#N 119821185 PAVYREBXWGQZDO-OAHLLOKOSA-N 259.397 3.794 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccccc2Cl)cn1 301552597 YQVFQYLCANWUMM-INIZCTEOSA-N 283.762 3.948 30 20 CHED CN(C(=O)c1cccc(CC#N)c1)C1CCCCCC1 78804309 BBACVNIFNKNYRD-UHFFFAOYSA-N 270.376 3.547 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@]1(C)CC 123078749 AXKRVDAAHGOOHI-WMZOPIPTSA-N 287.403 3.646 30 20 CHED N#CCSCCCN1CCC[C@H]1c1ccc(F)cc1 74980894 CBQKUFIAMFGIRN-HNNXBMFYSA-N 278.396 3.609 30 20 CHED CCS[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 125140754 RTHJMSLSANCTEK-ZDUSSCGKSA-N 280.462 3.727 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(O[C@H](C)C#N)cc1 181453854 PPRBQNWMYJALFQ-CYBMUJFWSA-N 291.354 3.770 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCn1ccc2ccccc21 189873219 JNDWUUZYRPIIKY-GOSISDBHSA-N 284.403 3.750 30 20 CHED C[C@@H]1CN(CCCSCC#N)CC[C@@H]1c1ccccc1 74991555 ODRWWMNADYIEKD-WBVHZDCISA-N 288.460 3.759 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(Cl)nc(NC)c1 128755308 SNFPGMUHQLBAIB-UHFFFAOYSA-N 295.814 3.595 30 20 CHED C=CCC[C@H](NC[C@@H]1CCC=CO1)c1ccccc1 188575733 AYEWVIBZKMWFFY-IRXDYDNUSA-N 257.377 3.976 30 20 CHED Cc1cc(C#N)ccc1CNC1(c2nccs2)CCCC1 186301037 JHJSYMZFLMHMRE-UHFFFAOYSA-N 297.427 3.882 30 20 CHED COc1ccc(CC[C@@H](C)NCc2cccc(C#N)c2)cc1 79720675 SZIMJAZWNFDKPS-OAHLLOKOSA-N 294.398 3.678 30 20 CHED CC#CCCCC(=O)N(C)Cc1ccc(C(C)C)cc1 184905517 UXYJQCXIEOKNBY-UHFFFAOYSA-N 271.404 3.962 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(Cl)nc2C)c1 124671088 UJODAGFKWOZMTD-UHFFFAOYSA-N 298.773 3.691 30 20 CHED C=CCOc1cccc(CN(C)[C@@H](C)c2cccnc2)c1 183717528 KVJLVGNSVDZUHK-HNNXBMFYSA-N 282.387 3.839 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(F)c(Cl)c1F 185460782 HHARDWDKVJCRPM-UHFFFAOYSA-N 292.672 3.742 30 20 CHED COc1cccc2c1CCN([C@H](C)c1ccc(C#N)cc1)C2 182710008 SHOONNJBALSVOZ-CQSZACIVSA-N 292.382 3.686 30 20 CHED C=CCN(C)C[C@@H](C)c1ccc(C(F)(F)F)cc1 501967257 OWFJTPMUQPLSON-LLVKDONJSA-N 257.299 3.927 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)NCC1(C#N)CCC1 416348341 TXIYRVUQVOHNEF-OAHLLOKOSA-N 276.424 3.649 30 20 CHED C=CCOCCSCc1noc(C2CCCCC2)n1 419446358 OIMXKNYHWZLNDB-UHFFFAOYSA-N 282.409 3.553 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)CCCOC 414308278 SPFIREYCYYVFQG-NVXWUHKLSA-N 261.409 3.579 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)C1CCCC1 181114752 FVMHKVLKFKSIJR-CYBMUJFWSA-N 252.402 3.705 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1nc2ccccc2s1 134910549 KSICVXIHCVLZBT-INIZCTEOSA-N 288.416 3.857 30 20 CHED CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc(SCC#N)c1 185410847 YKPAKAMGCXBSDZ-WFASDCNBSA-N 288.416 3.563 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1cccc(OCC#N)c1 74482943 MEQDFUXARJVNCH-ZDUSSCGKSA-N 286.375 3.744 30 20 CHED Cc1cc(C)c(C(=O)N[C@@H](C#N)C2CCCCC2)s1 601278379 SRZZRRQAXUHOSU-ZDUSSCGKSA-N 276.405 3.567 30 20 CHED CCO[C@H]1C[C@H](NCC(C)(C)CC#N)C12CCCCC2 414175355 ZCJFGSKBFIMFCI-GJZGRUSLSA-N 278.440 3.644 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(OC(C)(C)C)cc1 132745562 XFYJYXKYQHNZSW-CYBMUJFWSA-N 291.391 3.784 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C(C)=O)s1 45934366 MAAIVRLRFYNISH-UHFFFAOYSA-N 299.395 3.779 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(OC(F)F)cc2)c1 184768570 SJOODVSXBRYIKS-QPJJXVBHSA-N 289.281 3.888 30 20 CHED CC(C)(C)OC(=O)CCCCSc1cc(C#N)ccn1 181992907 PUDIJBSNWOEZEH-UHFFFAOYSA-N 292.404 3.557 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)cc1CC#N 410974875 YLIIRMFCOYEHDE-UHFFFAOYSA-N 262.740 3.701 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@]12CCCc1ccccc12 410116705 CHGYBEITJJFRQI-WDYCEAGBSA-N 283.415 3.752 30 20 CHED CC1(C)C[C@@H]1NC(=O)N[C@H](CCCC#N)c1ccccc1 413581728 RBNBCIIPBYVFMQ-CABCVRRESA-N 285.391 3.519 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cccc(C3CC3)n2)CCC1=O 329287655 PHRQAXVNRLWEAZ-PWSUYJOCSA-N 272.348 3.552 30 20 CHED CC(C)(C)c1ccnc(N2CCC[C@](C)(C#N)C2)c1 603333812 IQZNCIQCIQYJOI-MRXNPFEDSA-N 257.381 3.509 30 20 CHED C=CCCCCCN(C)C(=O)/C=C/c1ccc(Cl)nc1 135490325 AULHCYCGNMPZAU-PKNBQFBNSA-N 292.810 3.953 30 20 CHED C#CCCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 192054203 ASLBLTOPOIYHHG-UHFFFAOYSA-N 287.693 3.683 30 20 CHED CCc1ccccc1NC(=O)N(C)Cc1ccc(C#N)cc1 43402339 NRLGWXJUWVRJMM-UHFFFAOYSA-N 293.370 3.785 30 20 CHED CCN(Cc1cccc(Cl)c1)Cc1cc(C#N)n(C)c1 191232444 BHBNMYLRARJWNU-UHFFFAOYSA-N 287.794 3.572 30 20 CHED C=CCCCCCN1CC[C@H]2[C@H](CCCN2C2CC2)C1 193442307 NMZDLACYLKVDEN-AEFFLSMTSA-N 276.468 3.682 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)CC2CCCC2)c(C)c1 48518039 MUFJMOMNWCWEDD-UHFFFAOYSA-N 295.404 3.529 30 20 CHED CCC[C@H](N/C(O)=N/[C@@H]1CCCOCC1)C1CCCCC1 329264995 GXQODMKWXBTTGH-CVEARBPZSA-N 296.455 3.808 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)CCc1ccc(C#N)cc1 45082713 XTTFHALCZXDTDX-WMLDXEAASA-N 284.403 3.528 30 20 CHED C[C@@H](c1ccco1)N(C)Cc1ccc(N(C)CCC#N)cc1 131108146 CRYURTNPVREITK-HNNXBMFYSA-N 297.402 3.822 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OC(F)(F)F 424325974 LLJBXLZDRHKYET-GRYCIOLGSA-N 298.308 3.928 30 20 CHED Cc1ccc(N(C)Cc2cc(F)ccc2C#N)cc1 229958565 YLRXQPRFISPVMI-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1C 334851146 SHVXWLFLMKJDIO-NSHDSACASA-N 298.308 3.590 30 20 CHED N#CCN(C(=O)[C@H]1CCCc2sccc21)c1ccccc1 335735839 SKWKONRKQIKCSI-HNNXBMFYSA-N 296.395 3.725 30 20 CHED C=CCC[C@H](NCCc1ccccn1)c1ccccc1 518077191 VYQRZMLOJBVPBH-SFHVURJKSA-N 266.388 3.921 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)CC1CCCCC1 426583368 FZCBELCTVFFJHQ-QWHCGFSZSA-N 252.402 3.609 30 20 CHED CC[C@@H](Nc1cncc(C#N)n1)c1ccc(Cl)s1 420603115 PMKBWOKOKVVEJK-SECBINFHSA-N 278.768 3.626 30 20 CHED C=C(C)COc1ccc(Br)cc1C(=O)CC 514496985 LPLQFHFLAOWVKV-UHFFFAOYSA-N 283.165 3.997 30 20 CHED CCOc1cccc(NC(=O)c2cccc(C#N)c2C)c1 337880422 UFJRJJRWSDIHDF-UHFFFAOYSA-N 280.327 3.518 30 20 CHED C=CCOc1ccc(CN[C@@H]2CSC[C@H]2C)cc1Cl 512849476 FNOAWZUZIFIGHV-BXUZGUMPSA-N 297.851 3.746 30 20 CHED C[C@@H](CNc1nc(Cl)c(C#N)s1)C(C)(C)C 235125357 CCBZAQOACUQOGC-ZETCQYMHSA-N 257.790 3.762 30 20 CHED CCCCOCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 437096586 YKYMHXQUKOFGSF-ROUUACIJSA-N 286.419 3.575 30 20 CHED Cc1cn2c(/C=C\C(=O)c3cccc(O)c3)c(C)nc2s1 96930377 KPPXEVVZSWAYLZ-SREVYHEPSA-N 298.367 3.614 30 20 CHED Cc1ccc([C@@H](C)NCc2cc(C#N)cs2)s1 93492527 WIXUXDRPRNBTSV-SNVBAGLBSA-N 262.403 3.841 30 20 CHED C[C@H](NCC1C(C)(C)C1(C)C)c1ccc(OCC#N)cc1 92806134 KNJMXIMHXDPZFE-ZDUSSCGKSA-N 286.419 3.922 30 20 CHED N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCc2ccccc21 97036807 RMUIOOAAAZVHFS-INIZCTEOSA-N 295.317 3.506 30 20 CHED C=CCCC(=O)Nc1ccc(OCc2ccccc2)nc1 522570378 OTAFAWSACJXSMG-UHFFFAOYSA-N 282.343 3.565 30 20 CHED N#CCSCCCN(Cc1ccco1)c1ccccc1 342627582 CMMRMLDTGUWMSY-UHFFFAOYSA-N 286.400 3.933 30 20 CHED CN(CC(C)(C)C#N)c1ccnc2ccc(Cl)cc12 432143221 LQXMOAHITYUMSW-UHFFFAOYSA-N 273.767 3.874 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)c(C)n1)c1ccccc1 344380921 IFPZQKRTUFRCTK-INIZCTEOSA-N 293.370 3.533 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CCC[C@H](C#N)C1 248828498 MFVWDDANHSHHPP-YQYZPQCESA-N 268.404 3.982 30 20 CHED C=CCC[C@H](C)N[C@H]1CCCOc2ccc(F)cc21 349449253 JPZHDRNJKDPRTD-WFASDCNBSA-N 263.356 3.984 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC1CCOCC1 525871919 DWMJHKLZSPFLDU-UHFFFAOYSA-N 276.376 3.538 30 20 CHED N#CCCC1CCN(C/C=C/c2ccc(F)cc2F)CC1 521877022 QUEPSSOSRDCAIT-DUXPYHPUSA-N 290.357 3.994 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(Oc2ccccc2)cc1 248257483 LGEGYQWOZSQCOI-UHFFFAOYSA-N 279.339 3.621 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCSC1 348866126 FYRKVLNWJFHDEQ-HNNXBMFYSA-N 293.480 3.595 30 20 CHED CC[C@@H](NCC(C)(C)CCC#N)c1ccc(F)cn1 348208053 RMMDEAHTRRBVOZ-CYBMUJFWSA-N 263.360 3.591 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(C)c2ncccc12 436080792 IWCALJLIBZVNNU-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1csc2c1CC[C@@H](C)C2 608821032 KRINWYPCSQLWTP-NEPJUHHUSA-N 290.432 3.541 30 20 CHED CCCCn1cc(CN[C@H](C)c2cccc(C#N)c2)c(C)n1 344287287 IGSIFNVSSYNACW-CQSZACIVSA-N 296.418 3.714 30 20 CHED C[C@H]1CCc2c(sc3ncnc(N[C@H](C)CC#N)c23)C1 604564613 SYLHHNXKWWNPBY-VHSXEESVSA-N 286.404 3.530 30 20 CHED C[C@H](c1ccc(Cl)c(Cl)c1)n1cc(CCC#N)nn1 603212555 BCZYBNXYGJGKQN-SECBINFHSA-N 295.173 3.650 30 20 CHED Cc1c(C(=O)N[C@H](C#N)CC(C)C)oc2c(F)cccc12 608820343 CDCQNSFBVUTPST-NSHDSACASA-N 288.322 3.548 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2cccc(OCCCC#N)c2)C1 345189738 SFSYFWDBHZELKX-UONOGXRCSA-N 286.375 3.744 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C[C@H]1CCC[C@H]1C 602386126 HVVBKSHMEPEFTR-TZMCWYRMSA-N 288.366 3.817 30 20 CHED CC(C)[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccncc1 344193776 YHGDTBRMEHSZMJ-QGZVFWFLSA-N 293.370 3.526 30 20 CHED CC(C)(CCNc1cccc(C#N)n1)c1ccccc1 609892237 OPAFFHQWWNZVGR-UHFFFAOYSA-N 265.360 3.733 30 20 CHED CCN(CCc1cccs1)Cc1cccc(C#N)c1F 539240810 FOVBEMADCLQWFS-UHFFFAOYSA-N 288.391 3.823 30 20 CHED Cc1c[nH]cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 343359119 JJIOMXCGQJDOFQ-GFCCVEGCSA-N 299.399 3.970 30 20 CHED O=C(/C=C\c1ccccc1)c1ncc(Br)s1 255917180 SENJSAFTDJYKHO-SREVYHEPSA-N 294.173 3.802 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(NC(=O)c3ccco3)cc2)C1 442858444 HZDRLNJCVIECCB-DOMZBBRYSA-N 295.342 3.636 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)cc1)CC2 255864201 GLMRMIISIGPBAC-RVDMUPIBSA-N 264.324 3.913 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC1CCC1)c1ccccc1 344310857 WPJPPRLRKDLFKI-SJLPKXTDSA-N 273.420 3.692 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(C#N)c1 299306794 CQILHKFCRKGXQP-SFHVURJKSA-N 262.356 3.644 30 20 CHED N#Cc1cccc(-c2ccc3c(c2)CCCC[C@@H]3N)c1 600777153 PLDUTDRMWQOQQN-SFHVURJKSA-N 262.356 3.951 30 20 CHED Cc1ccc(C#N)cc1NCc1ccnn1C1CCCC1 449227371 PCFDBUAHIBSEEF-UHFFFAOYSA-N 280.375 3.790 30 20 CHED CCc1cc(C#N)ccc1OCc1nc(CCC(C)C)no1 442118477 XMABIVSFCCWTCF-UHFFFAOYSA-N 299.374 3.671 30 20 CHED CC1(C)CCCN(Cc2ccc(OC(F)F)cc2)[C@@H]1C#N 444720600 CGNOENRCBSGYGF-CQSZACIVSA-N 294.345 3.802 30 20 CHED Cc1ccc(CNC(=O)C[C@H](CC#N)c2ccccc2)s1 354609611 WWKZWLNLSLOARS-HNNXBMFYSA-N 298.411 3.760 30 20 CHED COc1ccc2ccccc2c1CNc1cnccc1C#N 354558484 HJQXPCWWSCIVFL-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1cc(C#N)ccc1NC1CC1 355656275 TZDNDYAOFHUFFX-RYUDHWBXSA-N 285.391 3.753 30 20 CHED CC(C)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 442675579 GOYQHQYIVHCZPU-AWEZNQCLSA-N 256.393 3.987 30 20 CHED COc1cccc2c(NCC(C)(C)C#N)cc(C)nc12 359069239 NZTKHAAYHJTGSR-UHFFFAOYSA-N 269.348 3.514 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(F)cc2OCC(F)F)C1 442825475 MVKGWFOMFNNWRM-MWLCHTKSSA-N 284.281 3.574 30 20 CHED CCc1ccc(CN(C)Cc2ccc(C#N)c(OC)c2)cc1 442824439 SUUMLKZWGHVYNJ-UHFFFAOYSA-N 294.398 3.761 30 20 CHED N#Cc1nc(Oc2ccc(F)cc2)ccc1C(F)(F)F 443406447 FBEBHBWINYLPHW-UHFFFAOYSA-N 282.196 3.903 30 20 CHED CCc1cccc(OCCN(CCC#N)CC(C)(C)C)c1 609540060 QMXBIOJVDCTPFD-UHFFFAOYSA-N 288.435 3.890 30 20 CHED N#CCCCN(Cc1ccccc1)[C@@H](CO)c1ccccc1 602923367 UWINILBPNWKVJL-IBGZPJMESA-N 294.398 3.526 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCSc2c(F)cccc21 602512202 RTUDYKQCFPHTAR-FZMZJTMJSA-N 278.396 3.892 30 20 CHED CC(C)n1nccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 268725307 ALSWQLXCSZXQRE-UHFFFAOYSA-N 296.374 3.517 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1cc(C)ccc1C 447356563 FTYFZRZIHOQPCV-UHFFFAOYSA-N 258.365 3.596 30 20 CHED CC[C@H](CC#N)NC/C(C)=C\c1ccccc1COC 352917376 WWICSHDEZDUJIQ-VWILAXROSA-N 272.392 3.518 30 20 CHED C=CC[C@@H](C)NC(=O)C1(Cc2cccc(Cl)c2)CC1 449928838 ZDKMCYCVYFTGPQ-GFCCVEGCSA-N 277.795 3.744 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(Cl)c1Cl 448725705 PWKOPAABQBTNPK-SECBINFHSA-N 299.201 3.924 30 20 CHED COc1cccc(C2(CN[C@H]3CC[C@@H](C#N)C3)CCCC2)c1 442793760 OUCRZJAQVVQCHM-WBVHZDCISA-N 298.430 3.789 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@H]2CCCC[C@H]2C(F)(F)F)C1 442775341 ALSYECDRNZTZNO-FVCCEPFGSA-N 274.330 3.637 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCC(C1CC1)C1CC1 611393268 RVYASCVUUAFGTH-LJQANCHMSA-N 280.415 3.961 30 20 CHED CCN(CC#Cc1ccc(F)cc1)Cc1ccc(OC)cc1 446765689 OZACBHOPCUTNQI-UHFFFAOYSA-N 297.373 3.708 30 20 CHED C#CCCCCNC(=O)N1CCCC[C@@H]1c1ccccc1 359869343 ICQIYQFXBLGAQV-QGZVFWFLSA-N 284.403 3.727 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 356623698 CXIKEBWQYPTKIT-WBVHZDCISA-N 284.403 3.935 30 20 CHED N#Cc1cccc(NCc2ccc(-c3ccco3)cc2F)n1 447807897 UTFKGCLIDGXYTH-UHFFFAOYSA-N 293.301 3.964 30 20 CHED COc1cc2nc(C)sc2cc1N[C@@H]1CC[C@@H](C#N)C1 442833245 BQPJXYKPNLJVEN-GHMZBOCLSA-N 287.388 3.718 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CCC(C)C)C(C)(C)C 449875246 YBJNHRLHCDNBPE-HNNXBMFYSA-N 289.423 3.776 30 20 CHED CC(C)N(CCCSCC#N)Cc1cccc(F)c1 266700214 FDYDGXPKYBIMOH-UHFFFAOYSA-N 280.412 3.683 30 20 CHED N#CCCCN1CCC(=Cc2ccccc2F)CC1 268315596 JDVVDGFQONYSJG-UHFFFAOYSA-N 258.340 3.609 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])s1 618693758 OQARATZJKJANQM-LBPRGKRZSA-N 285.328 3.627 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)C1(C#N)CCC1 265586246 WKKBDNWFSFBKBI-UHFFFAOYSA-N 292.382 3.882 30 20 CHED Cc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 618741336 FANZWFXBEWNELG-GOSISDBHSA-N 262.356 3.644 30 20 CHED CC[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1 447598971 JCEPZDFPSICTRX-HOTGVXAUSA-N 286.419 3.945 30 20 CHED CC[C@@H](C)CCCCC(=O)Nc1cc(C)nn1CCC#N 612037855 AIAQUSSKQDJJOC-CYBMUJFWSA-N 290.411 3.650 30 20 CHED CC(C)CC(=O)Nc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 442877147 QYIOIFJQIZCKTK-XJKSGUPXSA-N 285.391 3.775 30 20 CHED Cc1cscc1-c1noc(-c2ccc(CC#N)cc2)n1 445624494 RVSOSQPKAHPSTK-UHFFFAOYSA-N 281.340 3.840 30 20 CHED Cc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1C#N 618194405 DPNKORPIMMVETJ-CQSZACIVSA-N 275.355 3.589 30 20 CHED C=CCCN(C)C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 455211750 PLIUFXCNPRNYHJ-DLBZAZTESA-N 286.419 3.788 30 20 CHED C=CCCCC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 267128658 FGWXKADNZRFDOH-CQSZACIVSA-N 263.768 3.970 30 20 CHED N#CCCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 612063412 DBIXWVDTEFGILX-UHFFFAOYSA-N 298.317 3.652 30 20 CHED C=CCN(CC=C)C(=O)Nc1sc(CCC)nc1C 362794637 NIVNJNQGLVKUFD-UHFFFAOYSA-N 279.409 3.610 30 20 CHED C=CCC1(C(=O)NCc2cc(C)cc(OC)c2)CCCC1 450202433 UFORVLRGRQCLTD-UHFFFAOYSA-N 287.403 3.756 30 20 CHED C=CCSc1ccccc1C(=O)NCCC(C)(F)F 452214163 AHYUACPDGQSMNB-UHFFFAOYSA-N 285.359 3.740 30 20 CHED C=C(CC)CNC(=O)c1ccc(SC2CC2)cc1 456812218 MMUNBXOFVXGLDL-UHFFFAOYSA-N 261.390 3.637 30 20 CHED Cc1cc(NC(=O)CCCC#N)cc(C)c1Br 360474321 OIBCFOMCZJGQJS-UHFFFAOYSA-N 295.180 3.698 30 20 CHED CC(C)[C@@H]1CN(C(=O)C2(C#N)CCCCC2)[C@@H]1C(C)C 456324122 HNXOIBGEUHBMLI-LSDHHAIUSA-N 276.424 3.599 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](CC)c1ccc(F)cc1 452778760 YXODJAKWAYTDHE-CQSZACIVSA-N 263.356 3.648 30 20 CHED C=CCOc1ccc(CNC(=O)C2=CC[C@H](C)CC2)cc1 456021748 AGNCAYMNNMYWMO-AWEZNQCLSA-N 285.387 3.614 30 20 CHED CC(C)(C)CCCn1cc(C#N)c(=O)c2ccccc21 275542234 DACCFKSVVGOKFI-UHFFFAOYSA-N 268.360 3.699 30 20 CHED C[C@@H](CC#N)N[C@@H](C)c1ccc(C(F)(F)F)cc1 276237886 ORSLVXDXEUBSGI-UWVGGRQHSA-N 256.271 3.658 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)CC#N)c1cc2ccccc2o1 457502004 KBLFKZQKSYNIMZ-GFCCVEGCSA-N 299.374 3.733 30 20 CHED C[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1CCC[C@@H](C)C1 454968771 WIZRFIGOBVFCBE-ILXRZTDVSA-N 293.455 3.830 30 20 CHED C=CCOc1cccc(CNC[C@H]2CCCCS2)c1 543239876 OHWILWLPHXDVQO-MRXNPFEDSA-N 277.433 3.627 30 20 CHED C=CC(C)(C)CNC(=O)NCc1cccc(CSC)c1 454831044 RRVVFCNJJCXTAO-UHFFFAOYSA-N 292.448 3.561 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ncc(-c2ccccc2)o1 274416486 HYLHSVFBAVNOIT-KCQAQPDRSA-N 281.359 3.684 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1CCCCC#N 366878540 FRVFWLTZXKIRMB-DOTOQJQBSA-N 256.393 3.948 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 367404771 RVBGXJNELRNSCA-NJAFHUGGSA-N 298.430 3.758 30 20 CHED CC(C)(C)CCCC(=O)Nc1cccc(CC#N)c1 456727466 IZEYCEQRJDZKFZ-UHFFFAOYSA-N 258.365 3.908 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(Cc2cccc3ccccc23)no1 453063112 QCJJYGRFBPHBLY-KPZWWZAWSA-N 289.338 3.615 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1ccc(F)cc1 271336461 BQUKQLDQOIQYBZ-INIZCTEOSA-N 273.351 3.683 30 20 CHED C=CCCCCNC(=O)[C@H](C)c1c(F)cccc1F 274436634 CQFPQKVTUDPWOH-LLVKDONJSA-N 267.319 3.541 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 362598577 FSZRNVKCGNZFTJ-SNVBAGLBSA-N 299.374 3.528 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](c2ccc(C)cc2C)C1 451328622 LEFFGOFANLEWMY-HNNXBMFYSA-N 271.404 3.832 30 20 CHED N#Cc1ncccc1NCc1cc(C2CC2)ccc1F 450580118 BEMOGTNHFLWJMO-UHFFFAOYSA-N 267.307 3.582 30 20 CHED CC(C)c1ncsc1NC(=O)CCc1ccc(C#N)cc1 456447900 BYQBPYPTDPYALO-UHFFFAOYSA-N 299.399 3.709 30 20 CHED CC(C)(C#N)CCSCc1noc(-c2ccsc2)n1 276611011 LUYQERRCBAHGFT-UHFFFAOYSA-N 293.417 3.971 30 20 CHED N#Cc1ccncc1NC[C@H](c1ccccc1)C(F)(F)F 362681763 SLOXLSLGHQZHPM-CYBMUJFWSA-N 291.276 3.711 30 20 CHED C=CCN(C(=O)[C@@H]1CSc2ccccc21)C(C)(C)C 622944441 SCXAPHBYQFBLIW-CYBMUJFWSA-N 275.417 3.689 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccc(C)nc1 279628897 ZIOQPVPWHPAXDL-UHFFFAOYSA-N 294.398 3.537 30 20 CHED C[C@@H](C#N)CNC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 541017938 BOLSZFWTTIYQFZ-LSDHHAIUSA-N 299.418 3.719 30 20 CHED C=CCN(C(=O)C1(c2cc(C)cc(C)c2)CC1)C1CC1 541594671 FWCXQEPEEFNSGM-UHFFFAOYSA-N 269.388 3.512 30 20 CHED N#Cc1c[nH]c2ccccc2c1=N[C@H]1C[C@@H]1Cc1ccccc1 462871126 OUALSPVQDXSFBZ-KXBFYZLASA-N 299.377 3.571 30 20 CHED C=CCC(C)(C)c1noc(CCCC(F)(F)F)n1 556347922 SXPYVSITHUQFNH-UHFFFAOYSA-N 262.275 3.808 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)nc2ccccc12 464168956 KBICQSSQXZPBLK-SFHVURJKSA-N 295.386 3.601 30 20 CHED C=CC[C@H](C)NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 467999232 YKPIFYNHLJBRRO-QWRGUYRKSA-N 294.345 3.558 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCc1ccc(Cl)cc1 467923637 YDJBUGRYHIRBGF-MRXNPFEDSA-N 279.811 3.943 30 20 CHED CN(C(=O)Cc1cccc(C#N)c1)[C@H]1CCC[C@H]1C(C)(C)C 557069471 RWMCFWZRRZUOCL-SJORKVTESA-N 298.430 3.774 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)CCC1CC1 555063669 XUXYXXRCCQHXQE-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2cnc(C)s2)C1 633470720 OCCVOALBBUYFNU-YPMHNXCESA-N 293.436 3.510 30 20 CHED C=CCCN(C)C[C@H](C)Cc1ccc(OC)c(F)c1 467379165 WBGFWAFYESEMLH-CYBMUJFWSA-N 265.372 3.521 30 20 CHED C=CC[C@@H](CC)NC(=O)CCSc1ccc(C)cc1 466542962 WUDLZXFTYHFNGV-CQSZACIVSA-N 277.433 3.948 30 20 CHED C=C(CN[C@@H]1CCCc2ncccc21)c1ccccc1 631577281 PGDNTAXBYIKFDT-GOSISDBHSA-N 264.372 3.762 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(C(C)(C)C)c1O 286243644 ZBVOEEZULRVPNO-MRXNPFEDSA-N 274.364 3.568 30 20 CHED C=CCCCCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 471587053 GFPODHMPBDIPJZ-INIZCTEOSA-N 288.391 3.862 30 20 CHED C=C(Cl)CNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 805131445 JEODNVCZVTYHDU-RISCZKNCSA-N 278.783 3.532 30 20 CHED Fc1ccc(C2=CCC(=NN[C@@H]3CCSC3)CC2)cc1 808000818 AWLCNWRPIKVDDR-MRXNPFEDSA-N 290.407 3.844 30 20 CHED C[C@H](C#N)OCCSCc1cccc(C(F)(F)F)c1 802750160 YUDZHFBQCBENNV-SNVBAGLBSA-N 289.322 3.867 30 20 CHED C[C@@H]1/C(=C\c2cccc(C(=O)O)c2)C(=O)c2ccccc21 809155668 CSYRWNLZUSPCDM-YAFRSCOQSA-N 278.307 3.768 30 20 CHED N#Cc1ccsc1C(=O)O[C@H]1C[C@@H](c2ccccc2)C1 809105351 HGZDIFYORIVOML-OKILXGFUSA-N 283.352 3.723 30 20 CHED Cc1cc(NC(=O)N[C@@H](C)CC#N)c2ccccc2c1 297470043 RVOZZYIIXRLNEL-LBPRGKRZSA-N 267.332 3.572 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N[C@@H](C#N)C(C)(C)C 566036269 ZUDJMNUBQJIFGQ-RYUDHWBXSA-N 252.402 3.503 30 20 CHED CC(C)(NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 563786521 JWKADGXERKSZMG-UHFFFAOYSA-N 297.333 3.754 30 20 CHED N#Cc1ccc(OC(=O)Cc2coc3ccccc23)c(F)c1 808574165 ZDBPDIUAFXMWMT-UHFFFAOYSA-N 295.269 3.592 30 20 CHED N#CCCCCCC(=O)Oc1ccccc1Br 805848838 ASAREAJQLYEWBE-UHFFFAOYSA-N 296.164 3.829 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccccc1OC1CC1 805722891 SJHIECQCDVRAEC-UHFFFAOYSA-N 287.359 3.715 30 20 CHED C=C(CNC(=S)Nc1cccc(OC)c1)c1ccccc1 806594189 LRMYHGCUCDVQNU-UHFFFAOYSA-N 298.411 3.695 30 20 CHED CCN(CC)c1ccc(NC(=O)CCCCCC#N)cc1 805164820 UYAZXYUMEFWYCQ-UHFFFAOYSA-N 287.407 3.945 30 20 CHED N#CCSCCCOC(=O)c1ccc2sccc2c1 805494430 OAIMGCDUDUSUIP-UHFFFAOYSA-N 291.397 3.705 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 808272995 PYOYVRBPDMZYDR-NWDGAFQWSA-N 272.820 3.595 30 20 CHED CC[C@](C)(C#N)C(=O)OCCCSCc1ccccc1 803785426 YZGGWCYHJPAQSI-MRXNPFEDSA-N 291.416 3.793 30 20 CHED C=CCC(CC=C)c1nc(-c2cc(CC)ccn2)no1 482760174 OKRFRVLVVHPOMF-UHFFFAOYSA-N 269.348 3.930 30 20 CHED CC(=NOC1CCCCC1)c1cc(C(=O)O)cs1 814908745 AQEZQNVKCOFTKB-UHFFFAOYSA-N 267.350 3.520 30 20 CHED COc1ccc2c(c1)CCCC2=NOC/C=C/Cl 811670555 VHCYSPDPAIBQTP-HSVDBDNBSA-N 265.740 3.505 30 20 CHED N#Cc1cc(F)ccc1CN1CCC[C@@H]1Cc1ccccc1 489564289 FWXCOXMPXKLYBR-LJQANCHMSA-N 294.373 3.904 30 20 CHED N#Cc1ccc(CNc2cnc(-c3ccccc3)cn2)cc1 488076377 MUNUQFVTNSKUTB-UHFFFAOYSA-N 286.338 3.627 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(C)nc1 810768368 LMJPUKQPMVRCCE-UHFFFAOYSA-N 260.381 3.646 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc3c(c2)CCCC3)CC1 482625007 BZULPCPWXKPEBH-MRXNPFEDSA-N 298.474 3.866 30 20 CHED C[C@H]1CC(=NNc2ccc3ccccc3n2)CC[C@H]1C(=O)O 814697610 VNBPAKLNCGLQFT-SMDDNHRTSA-N 297.358 3.524 30 20 CHED CCC(=NNc1ccc2ccccc2n1)c1ccc(F)cn1 814697722 ZTMSNPUIFXEKBJ-UHFFFAOYSA-N 294.333 3.995 30 20 CHED C[C@H](CC#N)N(C)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 728873894 BSFGJQHKEHJXCY-BMGYJQCNSA-N 284.403 3.758 30 20 CHED COc1cccc(C2(C/N=C/c3ccccc3O)CC2)c1 811624601 KIXMWIYZWXSBQX-XDHOZWIPSA-N 281.355 3.552 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)c(F)c2)ccc1F 484080020 MDMWZMHYYRVVMA-GFCCVEGCSA-N 286.325 3.996 30 20 CHED N#CCC1(OC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CCC1 810854277 RIBYUGVDBCBAOC-LPHOPBHVSA-N 295.382 3.660 30 20 CHED Cc1cc(C=NNc2cc(F)cc(F)c2)ccc1F 729141782 FTCDMXYAFZNKSY-UHFFFAOYSA-N 264.250 3.858 30 20 CHED FC(F)Oc1ccc(NN=C/C=C/c2ccco2)cc1 726427443 XJRIXKSEFMLACU-OCMLDYKBSA-N 278.258 3.992 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)NC1CCC2(CCCCC2)CC1 570642706 RCPVHMWVQDBARO-SUMWQHHRSA-N 274.408 3.545 30 20 CHED C=CCC1(NCc2csc(CC)n2)CCCC1 657703083 SDUGWJIXBMOBKW-UHFFFAOYSA-N 250.411 3.684 30 20 CHED C=CCC[C@H](C)NCC1(c2cccc(OC)c2)CC1 575625840 VFHPGKFWGASOOM-AWEZNQCLSA-N 259.393 3.671 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(OC(F)F)cc2)no1 570853220 NRJQAYTWRRQNMT-CQSZACIVSA-N 293.273 3.529 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc3c(c2)CCOC3)n1 664892406 ZMKNSRTYFZPAOI-UHFFFAOYSA-N 284.359 3.663 30 20 CHED CCc1nc(C(C)C)ccc1CN[C@@H](CC)CC#N 579370004 UVGJLSXHBDFWPM-AWEZNQCLSA-N 259.397 3.549 30 20 CHED C#CCCOc1ccc(C(=O)N(C2CCCC2)C2CC2)cc1 823096372 DDGYTTXOEGZWBH-UHFFFAOYSA-N 297.398 3.636 30 20 CHED C=CCC1(NC(=O)N[C@H]2CCCC(F)(F)C2)CCCC1 664477881 OLMCPIAICTZYKA-LBPRGKRZSA-N 286.366 3.752 30 20 CHED C=C(C)COc1cccc(NC(=O)/C(C)=C/CC)c1 727330233 AQWYRYFIYUAISF-NTUHNPAUSA-N 259.349 3.936 30 20 CHED C[C@@H](OC(=O)/C=C\c1ccccc1)c1cccc(C#N)c1 727640072 BGDAMVBQRBXOBR-IWMPZKFUSA-N 277.323 3.876 30 20 CHED C=C[C@H](CC)CC(=O)N(CC#N)c1ccc(Cl)cc1 905972082 DOJKOOIFVBEJJZ-GFCCVEGCSA-N 276.767 3.799 30 20 CHED C=CC[C@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 734985484 FMTZPOSEHKNMGV-LBPRGKRZSA-N 278.421 3.725 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C\c1ccc(F)nc1 588523993 PHAYUVIELSWPMB-DJWKRKHSSA-N 291.709 3.779 30 20 CHED Cc1ccc(-c2cccc(C[C@H](C#N)CO)c2)c(C)c1 904856453 AJTLIWUWAZGSRY-MRXNPFEDSA-N 265.356 3.645 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H](c1ccccc1)C1CC1 839042705 MSFPATMQUBTJPX-CZUORRHYSA-N 256.345 3.525 30 20 CHED C[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1ccc(C#N)cc1 584175555 DGHYHRJNYPJGOX-XEZPLFJOSA-N 270.376 3.562 30 20 CHED C=CCN(CCC(=O)Nc1cccc(F)c1C)C(C)(C)C 661759429 FYWDWYKCMULHGJ-UHFFFAOYSA-N 292.398 3.749 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(C(C)(C)C)nc1 835385262 FZMXLELGSZZBHX-UHFFFAOYSA-N 261.365 3.635 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1C(F)(F)F 839203969 HNYSAVQCAYLYSJ-UHFFFAOYSA-N 279.208 3.855 30 20 CHED CC(C)(C#N)c1ccccc1CSCCOC1CC1 902575927 FMACRMXVBXILBT-UHFFFAOYSA-N 275.417 3.900 30 20 CHED CCCCN(O)C(=O)CCCCC(=O)c1ccc(F)cc1 904212329 OMCUHIZVVNBQEU-UHFFFAOYSA-N 295.354 3.587 30 20 CHED C[C@@H](c1noc(CCCCCC#N)n1)c1cccs1 589129367 KWPLSEZZHQDXMQ-LLVKDONJSA-N 275.377 3.909 30 20 CHED Cc1cccc([C@H]2CCN(C(=O)c3ccsc3C#N)C2)c1 907342957 QTPBLENWMCELLG-AWEZNQCLSA-N 296.395 3.558 30 20 CHED CC(C)Cc1ncc(C(=O)N(CC#N)c2ccccc2)s1 902983577 SPMJNPPABNUZNE-UHFFFAOYSA-N 299.399 3.512 30 20 CHED C[C@H]1CCCC1=NNc1nc(-c2ccc(Cl)cc2)no1 732926230 IWGNCTOXGJCRJE-VIFPVBQESA-N 290.754 3.978 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@@H]2CCC[C@@H]2C)cc1 581215190 RBABIBYDJNJZSX-JQFCIGGWSA-N 284.403 3.756 30 20 CHED CCC(C)(C)C1CCC(=NNc2ccncn2)CC1 835001402 IBVITBBVDGLQJM-UHFFFAOYSA-N 260.385 3.871 30 20 CHED CC[C@H](CC1CCCC1)C(=O)OCCCCC#N 734052765 KMQKCPIPJWDUQX-CQSZACIVSA-N 251.370 3.830 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 679231903 HXJZJXKUKXSJJA-CQSZACIVSA-N 298.390 3.532 30 20 CHED Cc1cccc([C@H](C)C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 839057510 YBZVOBXLXLFJMY-OFQRWUPVSA-N 271.360 3.724 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc2c(c1)CCO2 917519552 RRBQFTCSCDTQBW-DAXSKMNVSA-N 294.350 3.835 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@]1(C)CC=CCC1 839013562 PBTYBVPHOUMZEI-GUYCJALGSA-N 299.374 3.598 30 20 CHED N#CCCN(CC1CC1)C(=O)CCC1CCCCCC1 594280946 RBMQXEQCZZJDJF-UHFFFAOYSA-N 276.424 3.889 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccccc1CC#N 839893742 XWNVJAXGTINYGT-IAGOWNOFSA-N 298.430 3.626 30 20 CHED CCCN(CC(C)C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 593960041 KFVCGRQDHFLMLF-OAHLLOKOSA-N 286.419 3.631 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc(C(C)(C)C)on1 837657852 KTFMPCSXYPWIDZ-OAHLLOKOSA-N 265.353 3.618 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(Cl)nc2)c1 748993601 AUFKWXKJYXFACN-ALCCZGGFSA-N 273.719 3.640 30 20 CHED C=CC(C)(C)COC(=O)[C@H](OCC)c1ccccc1 835725813 HEBAIJGQODEOHQ-CQSZACIVSA-N 262.349 3.520 30 20 CHED CCCC[C@@H](C(=O)N1CCC[C@H](CC#N)C1)C(C)C 598747034 YWGQEFHSXHSCFA-HUUCEWRRSA-N 264.413 3.601 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 841369240 ZCJURLMSQKWBRW-GZKZCVOOSA-N 282.387 3.798 30 20 CHED COc1ccc(CN[C@@H]2CCc3ccc(C)cc32)cc1C#N 742369633 AQHVPMCWUFVHAO-GOSISDBHSA-N 292.382 3.652 30 20 CHED C/C(=C\C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C1CC1 917647579 RKPHHZMYENPWPU-XNTDXEJSSA-N 296.414 3.899 30 20 CHED C=CCOCC(=O)NC(CC)(CC)c1ccc(Cl)cc1 591186328 CTNYHWYJMWSREL-UHFFFAOYSA-N 295.810 3.674 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 674952022 NUGWNIOMVCNQBC-ZIAGYGMSSA-N 296.370 3.526 30 20 CHED COc1ccccc1C=NNc1ncccc1C(F)(F)F 915050930 GUSDUZVWRXOTQO-UHFFFAOYSA-N 295.264 3.555 30 20 CHED C#CCCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 742786365 YAEPCYKFLGAKFQ-UHFFFAOYSA-N 294.398 3.546 30 20 CHED Cc1nc(Cl)cc(NN=C2CCCCC[C@H]2C)n1 844585674 QLKIAXDJEZHIAM-SECBINFHSA-N 266.776 3.807 30 20 CHED CCCn1cccc1C=NNc1ccc2ccccc2n1 918153851 QGPQPRCWVHMXQG-UHFFFAOYSA-N 278.359 3.892 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(COC(C)(C)C)cc1 674988845 QIJGMBADUXVXQY-LBPRGKRZSA-N 276.380 3.698 30 20 CHED Cc1cc(/C=C2/CSc3cc(C)c(C)cc3C2=O)n(C)n1 841487352 SHJVZFQOLIDPCX-JYRVWZFOSA-N 298.411 3.717 30 20 CHED C=C(C)CN(C)c1nnc(-c2ccccc2)n1CC(=C)C 670231497 YCDYFJBPEMQEGK-UHFFFAOYSA-N 282.391 3.534 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](COCC)C1 747931861 UFRKJZUGFSTUFG-OAHLLOKOSA-N 269.429 3.622 30 20 CHED CC[C@H](CC(F)F)Cn1cc(C#N)c(=O)c2ccccc21 594890934 KLSWFACAEWQWAE-LLVKDONJSA-N 290.313 3.555 30 20 CHED CC(C)CCOc1ccccc1NC(=O)N[C@@H](C)CC#N 594148296 UDJPHIAPMFZXQN-ZDUSSCGKSA-N 289.379 3.535 30 20 CHED C=CCCCCN1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 599583258 QVTBLPUZHDKIEQ-CABCVRRESA-N 281.440 3.642 30 20 CHED N#CCCCCCC(=O)NC1(c2ccccc2Cl)CC1 592670906 CWUBIJLIBQTRQS-UHFFFAOYSA-N 290.794 3.919 30 20 CHED Cc1cc(CN(C2CC2)[C@@H](C)C#N)ccc1Br 595711126 ZYMPQNGSFVKSLG-NSHDSACASA-N 293.208 3.634 30 20 CHED CCC(CC)NN=C(C)c1nc2ccccc2n1CC 741460283 LOZJEAOZJDQLMS-UHFFFAOYSA-N 272.396 3.558 30 20 CHED C=C[C@H](CC)CC(=O)N1Cc2ccccc2[C@H](C)C1 929375296 VEQDDIGTMVMJAJ-ZIAGYGMSSA-N 257.377 3.735 30 20 CHED Clc1ccc([C@@H]2CCCC(=NN[C@@H]3CCOC3)C2)cc1 841635687 OKKCJDDZZXKDTM-CZUORRHYSA-N 292.810 3.732 30 20 CHED C=CCCCOC(=O)CCNc1cc(Cl)ccc1OC 745097180 UVDGHUVHBSPYPL-UHFFFAOYSA-N 297.782 3.660 30 20 CHED CCCCCCCCCNC(=O)N1CCC(CCN)CC1 846133987 LTCCPHNEWRCKMK-UHFFFAOYSA-N 297.487 3.507 30 20 CHED C#CCCCCNC(=O)[C@H](CCCCC)C(C)C 758639687 NJUMADOPTWQOCD-OAHLLOKOSA-N 251.414 3.759 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)[C@H]1c1cccnc1 854038422 AHCAPIPRDAYSLH-KRWDZBQOSA-N 295.361 3.675 30 20 CHED CS[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccccc1 851210346 UEHWDVFZSVSWAG-GXTWGEPZSA-N 291.416 3.962 30 20 CHED C(=NO[C@@H]1CCCCO1)c1ccccc1OC1CCCC1 755822892 WCUOZFNNOVFDNF-QGZVFWFLSA-N 289.375 3.885 30 20 CHED C=CCC[C@H](CCC)NCc1cc(C2CC2)n(C)n1 927114313 SFUFCJHTJKNYSX-AWEZNQCLSA-N 261.413 3.522 30 20 CHED CC[C@@H](/N=C/c1c(O)cccc1OC)c1c(C)noc1C 756845019 AWISPXAFTLQNKM-LFMVTYOGSA-N 288.347 3.576 30 20 CHED Clc1cccc(-c2cnc(CON=CC3CC3)o2)c1 853734899 KDLPIESQULJCMU-UHFFFAOYSA-N 276.723 3.907 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 684929392 YIMYYAWYYYQBRC-TUAOUCFPSA-N 292.345 3.714 30 20 CHED C#CCCCC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 758059559 ZUTLYBXMUWLFRI-KRWDZBQOSA-N 269.388 3.717 30 20 CHED Oc1cccc(C=Nc2cc(Cl)ccc2F)c1O 920945085 PTQPSKDIJOZPTF-UHFFFAOYSA-N 265.671 3.641 30 20 CHED C/C(=C/C(=O)OCC(C)(C)CC#N)c1cccs1 857018430 DZNUKBJNEHGBGM-LUAWRHEFSA-N 263.362 3.634 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCc2ccc(F)cc21 925375887 VBVPAYLGQFXOAZ-IAQYHMDHSA-N 260.356 3.731 30 20 CHED C#CCCCCNC(=O)N[C@H](c1ccc(C)cc1)C1CC1 758683610 AJPDSGASFHFFKD-QGZVFWFLSA-N 284.403 3.549 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1cccs1 851209456 LDMLOPJBXFBEQK-WDEREUQCSA-N 265.378 3.723 30 20 CHED CC(CC(C)(C)C#N)=NNc1nc2cc(F)c(F)cc2[nH]1 853287616 ODWWNIDCRRLUOE-UHFFFAOYSA-N 291.305 3.569 30 20 CHED COc1ccc(NN=Cc2cccc(Cl)c2F)cc1 750920796 BXAFEODMBYYLOA-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C#CC[C@H](NC(=O)N1CCCC[C@@H]1CC)c1ccccc1 757768945 RUWTZJIUVRGJBI-IRXDYDNUSA-N 284.403 3.725 30 20 CHED CC(CC(C)(C)C#N)=NNCc1ccccc1Cl 853293018 PINNWUDWSJINBH-UHFFFAOYSA-N 263.772 3.745 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 751101072 BMTCGTRJDOJSLT-YMTOWFKASA-N 296.773 3.501 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C3CC3)cc2)C1 851083778 MIFSASQRPOZSAN-MLGOLLRUSA-N 269.344 3.803 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)OCCCCC#N)cc1 750523543 PATHMYXXJVUDPC-CYBMUJFWSA-N 275.348 3.715 30 20 CHED C/C(=C/C(=O)O[C@H](C)C(C)(C)C#N)c1cccs1 857014065 AKLPWCAWEHDFRW-HIJJYWJESA-N 263.362 3.633 30 20 CHED Cc1ccc(C#N)nc1N1CCC(c2ccc(F)cc2)CC1 853426913 DXECEZVNTRTFPM-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C#CCCCC(=O)O[C@@H](C)CCSc1ccccc1 759176785 RZDLGGBKQRKUKE-AWEZNQCLSA-N 276.401 3.904 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(CF)cc1 851206959 ZBYADDSWNDILSN-NSHDSACASA-N 263.312 3.641 30 20 CHED Cc1ccc([C@H](C)/N=C/c2ccccc2O)cc1[N+](=O)[O-] 751890550 NZUNQAPCIBRQGD-VAKHEIKFSA-N 284.315 3.789 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc(O)c(F)c2)co1 752878075 BEQZEBMBEBRJBE-GQCTYLIASA-N 275.279 3.539 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2ccc(C)c(F)c2)[C@@H]1C 853438700 KOVAWXOIOXOONP-NEPJUHHUSA-N 292.354 3.511 30 20 CHED C/C(=C\C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 857568440 VSARRCCXPPYMME-CSKARUKUSA-N 298.367 3.743 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@@H](CC(C)C)C1)c1ccccc1 757059892 YAGZBOSGBLYBLK-WMZOPIPTSA-N 298.430 3.829 30 20 CHED COc1ccc2c(c1)C(=NNc1ccc(C)cc1)CCCO2 763104145 AGZYJWCMAINORR-UHFFFAOYSA-N 296.370 3.992 30 20 CHED Fc1cccc(C=NOCc2ccc3ncccc3c2)c1 769808351 MVDYPAJKBKAIPN-UHFFFAOYSA-N 280.302 3.925 30 20 CHED CC1(C)CC(CNc2nccnc2C#N)CC(C)(C)C1 699428134 HLGFNDNHPJOXIF-UHFFFAOYSA-N 272.396 3.613 30 20 CHED C=CCCC(CC)=NNc1ccc(F)c([N+](=O)[O-])c1 769829898 VDXSSESZXZQBRR-UHFFFAOYSA-N 265.288 3.878 30 20 CHED N#CC1(NC(=O)c2ccsc2C(F)F)CCCCC1 931297996 TWIXVMKYADJCCX-UHFFFAOYSA-N 284.331 3.642 30 20 CHED CC#CCCCC(=O)OCCCSC(C)(C)C 768013018 ZPGMIXXQHMUOCG-UHFFFAOYSA-N 256.411 3.645 30 20 CHED CC(=NN=C1CCCc2ccc(Cl)cc21)c1cnccn1 761267192 PMAQWHOYTFNRGX-UHFFFAOYSA-N 298.777 3.680 30 20 CHED Cc1cc(OC(=O)[C@@H](C)Cc2cccc(F)c2)ccc1C#N 765094663 PWVZEAABEXGBBK-ZDUSSCGKSA-N 297.329 3.790 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)C[C@@H](C)c1ccccc1 931713114 KMPNSIDRJZRXPD-OAHLLOKOSA-N 292.382 3.742 30 20 CHED CSc1ccc(/C=C/C(=O)O[C@@H](C#N)C(C)(C)C)s1 860646692 KAFSBKRPHRVMNH-ZRQQLDRUSA-N 295.429 3.965 30 20 CHED N#CCN(C(=O)c1ccsc1C(F)F)C1CCCC1 933241177 IQZKTALBYUQFCK-UHFFFAOYSA-N 284.331 3.594 30 20 CHED C/C(=C\C(=O)N1CCCC(C)(C)[C@H]1C#N)C(C)(C)C 765118900 HAWVPRATPRPSQR-RSKUSDAESA-N 262.397 3.520 30 20 CHED C=C(C)CCN[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 769918791 APOWRHJFFQURBK-OAHLLOKOSA-N 296.455 3.626 30 20 CHED Cc1ccc(C=NNc2nc(-c3ccccc3)cs2)cn1 764901788 XZDSTFKGMGFKFC-UHFFFAOYSA-N 294.383 3.960 30 20 CHED Cc1cc(OC(=O)[C@H](C)Cc2ccc(F)cc2)ccc1C#N 765092400 SXSAZFJUEWUHBZ-CYBMUJFWSA-N 297.329 3.790 30 20 CHED CCCCCCCNC(=O)[C@H](C)c1ccsc1 862358919 ZKSOLBMTXSFERS-GFCCVEGCSA-N 253.411 3.938 30 20 CHED Cn1cc(NN=C2CC=C(c3ccc(F)cc3)CC2)cn1 761870922 VTARDLUPSLPRSY-UHFFFAOYSA-N 284.338 3.595 30 20 CHED C[C@H]1CCC(=NNc2nc(O)c3ccccc3n2)C[C@@H]1C 767386153 SJTNJYINTQOLCG-QWRGUYRKSA-N 284.363 3.559 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NOCC(F)(F)F 766714034 UODHNCSHMRIEMZ-SECBINFHSA-N 257.255 3.785 30 20 CHED CCC(=NNc1cc(Cl)nc(C)n1)c1ccccc1F 778541778 QAGFLYZDTUFOAX-UHFFFAOYSA-N 292.745 3.804 30 20 CHED C=C(C)COCCN[C@@H](CC)c1ccc2c(c1)CCCO2 773059929 OKJZVVCKYFCJNO-KRWDZBQOSA-N 289.419 3.645 30 20 CHED C#Cc1cccc(NCC#Cc2cccc(Cl)c2)c1 772905682 GQKTWLBMNJETNB-UHFFFAOYSA-N 265.743 3.785 30 20 CHED C#CCCCCCCN[C@H]1CCO[C@H](CC(C)C)C1 877143071 ZVMQQQPFBDODFU-DLBZAZTESA-N 265.441 3.753 30 20 CHED CCCCCCCC(=O)N[C@]1(C#N)CCc2ccccc2C1 770110512 CVLSCXPWLOOWJO-LJQANCHMSA-N 298.430 3.914 30 20 CHED C#CC[C@@H](OC(=O)CCc1ccc2[nH]ccc2c1)C(C)C 776092695 IOFPHWZMFSCCPL-QGZVFWFLSA-N 283.371 3.692 30 20 CHED C#CCCCCC(=O)OCc1ccccc1OC(C)C 773641713 TUFWDRAMKUYSQS-UHFFFAOYSA-N 274.360 3.711 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccccc2)ccc1F 770568267 CKIDVUYZFDXYCJ-CLFYSBASSA-N 251.260 3.593 30 20 CHED C[C@H]1CC(C(=O)OCCCC(C)(C)C#N)C[C@H](C)C1 784612130 GBHJDRCAONBHKN-CHWSQXEVSA-N 265.397 3.932 30 20 CHED CC(=NNc1ncnc2sccc12)C1CCSCC1 777431191 XWBLQWCPQWSSHI-UHFFFAOYSA-N 292.433 3.622 30 20 CHED CN(C)c1cccc(Cl)c1CNCc1cccc(C#N)c1 1116472051 RWUVLRIBJVAXDE-UHFFFAOYSA-N 299.805 3.567 30 20 CHED Clc1cscc1C=NNc1nc2ccccc2[nH]1 771871886 MGJHSBLXXOFOIY-UHFFFAOYSA-N 276.752 3.724 30 20 CHED O=[N+]([O-])c1ccccc1/C=C\C=NOC1CCCCC1 777458295 BVHFIGAEWLAFGG-FZEZYONISA-N 274.320 3.943 30 20 CHED C#C[C@H](NC(=O)CCSc1ccc(Cl)cc1)C(C)C 700589230 JQVYHPNIFCTWQZ-AWEZNQCLSA-N 295.835 3.596 30 20 CHED CCN(C(=O)[C@@H](C#N)CCc1ccccc1)c1ccccc1 57683341 KFYDYJHLVVJRHD-QGZVFWFLSA-N 292.382 3.812 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(CC#N)cc1 57661479 PFGBWWVWDKOBJB-UHFFFAOYSA-N 264.372 3.775 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(C)cc1C 777462388 ALALIZHERXXRQB-UHFFFAOYSA-N 259.271 3.996 30 20 CHED C=C(C)CN1CCc2cccc(NC(=O)OC(C)(C)C)c21 775773868 RIAARUKCVSVCPU-UHFFFAOYSA-N 288.391 3.972 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1cccc(C)c1 776190719 YBHWVPRBKBMYGV-ZHACJKMWSA-N 282.339 3.908 30 20 CHED CC1(C)CCC(OC(=O)c2cc(C#N)cs2)CC1 774761716 KYAMHVFBKNVFCS-UHFFFAOYSA-N 263.362 3.745 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1ccnc(Cl)c1 779459919 IPILBWPSLYCGMJ-UTCJRWHESA-N 261.683 3.770 30 20 CHED C#CCCCCCC(=O)OCc1cc(F)ccc1F 780257386 APISVNQKVPYHCD-UHFFFAOYSA-N 266.287 3.592 30 20 CHED C=C[C@](C)(CC)C(=O)OCCCc1ccsc1 785766832 DNKYFOJKFIKYQA-CQSZACIVSA-N 252.379 3.826 30 20 CHED C=CCCCOC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C 780113637 RYCJXQDLPMFYTM-CQSZACIVSA-N 299.773 3.591 30 20 CHED N#C[C@@H](OC(=O)c1cc(F)ccc1F)C1CCCCC1 788052034 SOVJYLPKSMPADK-CQSZACIVSA-N 279.286 3.594 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1cnn(C(C)C)c1C 782288934 TUTOJKPVUYUQMZ-HNNXBMFYSA-N 276.428 3.665 30 20 CHED CCCC[C@@H](CC)C(=O)NOCCCC(C)(C)C#N 788056535 WMXWDPNQGIWUEO-CYBMUJFWSA-N 268.401 3.581 30 20 CHED C=C1CCC(C(=O)N2CCCC[C@@H]2c2cccn2C)CC1 889323567 XICJAIPJWKDPBJ-QGZVFWFLSA-N 286.419 3.825 30 20 CHED C[C@H](OC(=O)[C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 781698693 CBEWEFWPKJQVPR-WFASDCNBSA-N 271.360 3.989 30 20 CHED COc1ccc2cc(C(=O)OCC(C)(C)C#N)ccc2c1 1122639020 CYRSMKDRIRRABY-UHFFFAOYSA-N 283.327 3.555 30 20 CHED Cc1c(Cl)cnc(NCCSC(F)(F)F)c1C#N 784154014 KLDZJKOPQOWDMB-UHFFFAOYSA-N 295.717 3.580 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C(\C)Cc1ccccc1OC 785854860 QESFIXXXJIPLDG-IAOULYHDSA-N 299.414 3.751 30 20 CHED CCCCOc1ccc(C(=O)/C=C\c2ccnn2CC)cc1 789157969 SNYRGLQXGVJOMT-FLIBITNWSA-N 298.386 3.978 30 20 CHED C=C1CCC(C(=O)N(CC)[C@@H](C)C(F)(F)F)CC1 890340605 NAAGASCNXLIDLI-JTQLQIEISA-N 263.303 3.532 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1ccc(C)cc1 899334056 WVDLBVSNFKUNAP-MDZDMXLPSA-N 255.317 3.750 30 20 CHED O=C(/C=C\c1cc(Cl)cc2c1OCC2)c1cccnc1 782878931 BZZYHLXUZOZQCU-ARJAWSKDSA-N 285.730 3.566 30 20 CHED CCn1cc(C(=O)/C=C/c2cnc(-c3ccco3)s2)cn1 788096338 ATMPGVVURRYNQF-AATRIKPKSA-N 299.355 3.516 30 20 CHED Cc1cccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 1130174424 KULWTBFDIGJMHR-CQSZACIVSA-N 278.355 3.700 30 20 CHED CC(C)C(=O)N1/C(=N\Cc2ccccc2)SCC1(C)C 892128417 LCQSLAHFULEQAW-BMRADRMJSA-N 290.432 3.553 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 797026357 SXNGDONZROQMKR-RRFJBIMHSA-N 263.381 3.830 30 20 CHED CCc1cccc(C)c1NN=Cc1c(F)ccc(O)c1F 799493785 PMMKQWYMRZIXSK-UHFFFAOYSA-N 290.313 3.987 30 20 CHED C=CCNN=Cc1ccc(OCc2cccc(F)c2)cc1 794999106 XSNTUTGHECHGRV-UHFFFAOYSA-N 284.334 3.514 30 20 CHED Fc1cccnc1NN=C1CC2(CCC2)Oc2ccccc21 794988974 BWXUAERIDMJIEA-UHFFFAOYSA-N 297.333 3.742 30 20 CHED CC(C)CCOc1ccc(C(=O)/C=C/c2cn(C)cn2)cc1 798231956 MTQFIIWZTXLGIR-RMKNXTFCSA-N 298.386 3.741 30 20 CHED CC1(C)C[C@H](NN=Cc2ccc(C(F)F)cc2)CCO1 794535132 GARROVCJSOKFBK-CYBMUJFWSA-N 282.334 3.505 30 20 CHED Clc1cccc(Cl)c1CCC=NNc1cccnn1 790163934 GAFHKYDOQJPJRI-UHFFFAOYSA-N 295.173 3.814 30 20 CHED COCCCON=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 795050490 DQIWUGIMYDUKLN-GOEBONIOSA-N 275.392 3.999 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2cccc(Cl)c2)[C@H]1C 794454589 JHZADAVRMMIEPJ-QWRGUYRKSA-N 294.782 3.717 30 20 CHED Fc1cc(NN=C2CCC23CCOCC3)ccc1Cl 799881667 QFEYFDPSOLQTNQ-UHFFFAOYSA-N 282.746 3.838 30 20 CHED CCCCCCCCCNC(=O)C[C@@H]1CCC(=O)[C@@H]1C 792970334 STOPTJBDNCJSRQ-CABCVRRESA-N 281.440 3.859 30 20 CHED C(=Nn1cnc2ccccc21)c1ccc2c(c1)CCCC2 792960143 RRNVSRMMQSKDPD-UHFFFAOYSA-N 275.355 3.797 30 20 CHED C=CCCC(=O)Oc1c(C)cc(F)cc1Br 797354289 XVZMXAUZKNHSBM-UHFFFAOYSA-N 287.128 3.768 30 20 CHED C#CCCCC(=O)OCc1cccc(OCC(C)C)c1 793412020 WQYIDTOVXDXKMI-UHFFFAOYSA-N 274.360 3.568 30 20 CHED Cc1ccc(CNc2ccc(OC(F)(F)F)c(C#N)c2)o1 799347194 QHMYUMOUHPVDCR-UHFFFAOYSA-N 296.248 3.970 30 20 CHED Cc1c(C(=O)OC/C=C\Cl)sc2ccc(C#N)cc12 796614858 LRPZWULVQRICNS-DJWKRKHSSA-N 291.759 3.991 30 20 CHED CCCC[C@@H](C)C(=O)Oc1ccc(C#N)cc1OCC 799860724 JIFITOSEUSICAN-GFCCVEGCSA-N 275.348 3.689 30 20 CHED C#C[C@H](OC(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 796997670 XJPFWJLGUZDLSP-AWEZNQCLSA-N 295.363 3.650 30 20 CHED CCCCS[C@@H](C)C(=O)Oc1ccc(C#N)cc1CC 799444390 OELUDEMWAQUKJD-LBPRGKRZSA-N 291.416 3.948 30 20 CHED C#C[C@H](CCC)/N=C\c1cc(Cl)cc(Cl)c1O 790098279 FYWKIWHUIMGIAC-OUZNOSRWSA-N 270.159 3.920 30 20 CHED CC(C)(C)CN(CCC#N)CC1Cc2ccccc2C1 589498520 XPCDBFUDZJESAA-UHFFFAOYSA-N 270.420 3.663 30 20 CHED C=CC[C@@H]1CCCN(CCC(=O)c2ccccc2)C1 661381933 QGOOBJDTEWMXMK-OAHLLOKOSA-N 257.377 3.548 30 20 CHED CC(C)c1ccc(S(=O)(=O)CCCC(C)(C)C#N)cc1 87611030 MEUZCXFIVKPRTP-UHFFFAOYSA-N 293.432 3.914 30 20 CHED CC[C@@H](C)[C@H](CN(Cc1ccc(C#N)cc1)C(C)C)OC 1308571132 PLMLYCQYWFTZBE-QAPCUYQASA-N 288.435 3.830 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1c1cc(C)c(C#N)cn1 1306999701 ZQUYNPOCBRWHSX-DOMZBBRYSA-N 257.381 3.667 30 20 CHED Cc1cccc2c1CC(C)(C)N(Cc1cc(C#N)ccn1)C2 1307790342 YXUHGFZGGMZSFQ-UHFFFAOYSA-N 291.398 3.599 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1 1310872805 PZJQTNFCVFKRSB-NORZTCDRSA-N 285.391 3.813 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CC(C)(C)Cc3oc(C)cc32)n1 1162163420 ZKXAOJJVESCKDI-AWEZNQCLSA-N 296.374 3.684 30 20 CHED C#Cc1cccc(NC(=O)c2cc3ccccc3n2CC)c1 1323740831 BBZQRGQQHQXMEW-UHFFFAOYSA-N 288.350 3.895 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](Nc2nccnc2C#N)CC1 1639791438 OFSCXRWOYKNWAW-QWHCGFSZSA-N 272.396 3.755 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)c1ccc(Cl)c(F)c1 1328589192 AEOHJWGPQUQEEE-SECBINFHSA-N 275.714 3.919 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc2cc(OC)ccc2c1 1328576331 WCUCODSUKFILLD-LBPRGKRZSA-N 269.344 3.543 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(F)cc1C(F)(F)F 1329175689 ZNOYJQQGQNFRKX-MWLCHTKSSA-N 291.288 3.696 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC(C)(C)c2ccccc21 1329182332 FDXPCULXKGLQEO-UHFFFAOYSA-N 290.366 3.805 30 20 CHED C[C@H]1CC(=NNc2ccn(C)n2)C[C@@H](c2ccccc2)C1 1326241970 OLGIJYYDFNVUNH-HIFRSBDPSA-N 282.391 3.792 30 20 CHED C=C[C@@H](COC)N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 1256315462 HRANCQUHBQLQIB-NOOOWODRSA-N 285.840 3.684 30 20 CHED Cc1c(C(=O)NC/C=C/C2CC2)sc2ccc(C#N)cc12 1330462586 VXCOXBMBHOTFIQ-NSCUHMNNSA-N 296.395 3.777 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCCC(F)F 1331966042 RQRSXURVOPQOKD-OAHLLOKOSA-N 278.346 3.961 30 20 CHED C=CCCCOC(=O)c1ccc(Cn2cccc2)cc1 1251922817 DDTSEYNLFLETCD-UHFFFAOYSA-N 269.344 3.659 30 20 CHED C=C(C)CCOC(=O)c1cc2ccc(Cl)cc2[nH]1 1331352856 XBAMXFMYSCBMGS-UHFFFAOYSA-N 263.724 3.944 30 20 CHED CC1=C(C)C[C@H](C(=O)[C@@H](C#N)c2cccc(F)n2)CC1 1263385618 XPXMFUXTQGWPRT-OLZOCXBDSA-N 272.323 3.533 30 20 CHED CC(C)=CCCOC(=O)c1cc(C#N)ccc1Cl 1346770503 CNJQIXGDAFNYCO-UHFFFAOYSA-N 263.724 3.725 30 20 CHED Cc1cccc2c(C(=O)O[C@H]3CC[C@@H](C#N)C3)coc12 1344672474 QCZNPZQDTBCSOI-NEPJUHHUSA-N 269.300 3.590 30 20 CHED C=C(C)CCC(=O)N1CCc2cccc(F)c2[C@@H]1C 1340096881 OKOITESVCUFLCU-LBPRGKRZSA-N 261.340 3.628 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cccnc2N(C)C)c1 1346403792 XMOUYHJSIFFNNE-FPLPWBNLSA-N 280.371 3.661 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccccc1OC(C)C 1346178236 GXKWKYJUIWYMPS-CYBMUJFWSA-N 261.365 3.617 30 20 CHED Cc1ccc(CC2CCN(c3ccc(C#N)cn3)CC2)cc1 1342159738 CDILAJOIUJCKPH-UHFFFAOYSA-N 291.398 3.721 30 20 CHED C=CCn1c(C(F)F)nnc1N(CC)C1CCCCC1 1352032252 YOIXGQHTOBLBIA-UHFFFAOYSA-N 284.354 3.561 30 20 CHED COc1ccc(C#Cc2ccc(Cl)cc2C=O)cc1 1504000221 ODIWSGXWSPCNQA-UHFFFAOYSA-N 270.715 3.561 30 20 CHED C=CC[C@H](C)NC[C@@H](O)c1ccc(Cl)cc1Cl 1353317231 VGFOESIRFQYJMN-TVQRCGJNSA-N 274.191 3.581 30 20 CHED COc1cc(NC(=O)c2ccc(C)c(C)c2)c(F)cc1C#N 1438032602 XXFDDNVHSQRKSK-UHFFFAOYSA-N 298.317 3.575 30 20 CHED N#Cc1ccc(COC(=O)c2ccc(C3CCC3)cc2)nc1 1514708458 KDTDRZMYLOIQJY-UHFFFAOYSA-N 292.338 3.578 30 20 CHED CCCC[C@@H](C(=O)Nc1ccc(C#N)c(C#N)c1)C(C)C 1456925853 RONUQITZDFZHHV-MRXNPFEDSA-N 283.375 3.831 30 20 CHED Cc1ccc2c(c1F)N(C(=O)c1cccc(C#N)c1)CCC2 1527762644 AFHYPTJJNGAASK-UHFFFAOYSA-N 294.329 3.599 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)[C@H](CC#N)c1ccccc1 1523113064 YIEOIRSGMIGJMF-HZPDHXFCSA-N 284.403 3.626 30 20 CHED N#Cc1cccc(-c2ccc(C3CC(C(=O)O)C3)cc2)c1 1601115732 BSPCGWPOCUHORN-UHFFFAOYSA-N 277.323 3.803 30 20 CHED C=C(Cl)CN1CCC(c2nc3c(s2)CCCC3)CC1 1460277223 ILLWYNAVQKZABP-UHFFFAOYSA-N 296.867 3.954 30 20 CHED C=C(Br)CN1CCc2cccc(Cl)c2C1 1460221309 OYHGDCHEIVGPDZ-UHFFFAOYSA-N 286.600 3.607 30 20 CHED N#Cc1cncc(Oc2ccc3c(c2)[nH]c2ccccc23)n1 1472634708 IXNNBFHTPYLZOW-UHFFFAOYSA-N 286.294 3.775 30 20 CHED CC[C@@H](N=c1cc[nH]c(C#N)c1)C(C)(C)c1ccccc1 1612139190 NYDHHPIETSXHMU-QGZVFWFLSA-N 279.387 3.543 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)n1 1559183015 FAFQKFJKDDETBR-DZGCQCFKSA-N 296.349 3.544 30 20 CHED Cc1cnn(-c2ccc(Oc3ccc(C#N)c(C)n3)cc2)c1 1559167173 PXYNHEAXFBSPGK-UHFFFAOYSA-N 290.326 3.548 30 20 CHED CC(C)CN(CCc1ccccc1)c1ncc(C#N)cc1F 1651675384 BORSMLWCSHOVLJ-UHFFFAOYSA-N 297.377 3.797 30 20 CHED CCc1ccccc1CC(=O)Nc1ccc(Cl)cc1C#N 1586200090 YFWOGGDJCHJDRH-UHFFFAOYSA-N 298.773 3.955 30 20 CHED C=CCCCCCN(C)[C@@H](C(=O)O)c1ccccc1F 1588799904 OLZPFTFKUMUHAO-OAHLLOKOSA-N 279.355 3.630 30 20 CHED Cc1cc(C)cc(C2CCN(c3ncccc3C#N)CC2)c1 1655930211 ULIGDPOXHOWCMD-UHFFFAOYSA-N 291.398 3.954 30 20 CHED Cc1cc(=NC2CCC(c3ccccc3)CC2)c(C#N)c[nH]1 1650622620 MXRKEXVSHMWFGU-UHFFFAOYSA-N 291.398 3.822 30 20 CHED COc1ccc(CNC[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1C#N 1651016649 RNQVGPMMNRBCJN-YCPHGPKFSA-N 286.419 3.729 30 20 CHED CCCOc1ccc(CN(CC)CCC#N)cc1C 1652100922 ZJRLRQCSNFTNAG-UHFFFAOYSA-N 260.381 3.519 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1 1657521099 DIEUZHHJSKDKJM-HOTGVXAUSA-N 256.393 3.863 30 20 CHED CCNc1ccccc1CN(C)Cc1cccc(C#N)c1 1664070051 KIPYIBVTLBDOIO-UHFFFAOYSA-N 279.387 3.622 30 20 CHED CCCCCCCN1CC[C@](C(=O)O)(c2ccccc2)C1 1595704348 HCODKQNNWNDXKB-GOSISDBHSA-N 289.419 3.685 30 20 CHED CC(C)(CC=NNc1cccc(C(F)(F)F)c1)C(=O)O 1590653694 DQJIHQKFAUUYGG-UHFFFAOYSA-N 288.269 3.604 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCc3c(F)cccc32)c1 1678413232 MOJKVPCQXHSMIW-UHFFFAOYSA-N 295.317 3.600 30 20 CHED Cc1ccc(C(=O)O)cc1C(=O)/C=C\c1ccc(F)cc1 1777436061 BQWLHPVQGBSMHN-UITAMQMPSA-N 284.286 3.728 30 20 CHED C=CCCC1(C(=O)O)CCN(Cc2ccc(C)cc2)CC1 1776168899 BSUSZRIBEOCOBH-UHFFFAOYSA-N 287.403 3.628 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1c(F)cc(C#N)cc1F 151716729 VLJJAGJDCPWWQP-LLVKDONJSA-N 294.345 3.783 30 20 CHED CCN(C(=O)[C@@H](C)Cc1ccccc1)c1ccc(C#N)cc1 151965535 UPUBDIISPVVRPO-HNNXBMFYSA-N 292.382 3.790 30 20 CHED C#CCCCCNC(=O)Nc1cccc(COC(C)C)c1 152882984 KFWCSCSHJIESDP-UHFFFAOYSA-N 288.391 3.537 30 20 CHED N#Cc1ccc(CN(Cc2ccc(F)cc2)C2CC2)s1 155237036 USDBAZQTRIAEHP-UHFFFAOYSA-N 286.375 3.923 30 20 CHED CC#CCCN1CCC[C@H]1c1nc2ccccc2n1CC 155999259 FMPSCSUZKGAOLI-KRWDZBQOSA-N 281.403 3.607 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] 156835645 WPQJKWNRLNMWGC-UHFFFAOYSA-N 290.363 3.722 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cccc(F)c1 209192651 JNJSKSJZZJWMER-PLNGDYQASA-N 277.276 3.692 30 20 CHED Cc1ccc(CNc2ccc(OCC#N)cc2)cc1 20126392 QVYBPCJWLSPFNJ-UHFFFAOYSA-N 252.317 3.510 30 20 CHED CC1(CNc2cccc(Br)c2C#N)CC1 232801508 PPAVPXCEYDJDLG-UHFFFAOYSA-N 265.154 3.533 30 20 CHED CC1(C)CCC(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1287803477 MTETUAQVUHTTIV-UHFFFAOYSA-N 274.339 3.852 30 20 CHED CCCCCN(CCOc1ccccc1C#N)C(C)C 42278426 OXNYGUSTPACBID-UHFFFAOYSA-N 274.408 3.838 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(F)cc1 42321120 HDXGWRFBKDWWQC-NSHDSACASA-N 272.298 3.687 30 20 CHED CCCCCC[C@H](C)NC(=O)c1cccc(C#N)c1 31091518 ZTZGJARLJXOUOT-ZDUSSCGKSA-N 258.365 3.647 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1c(F)cccc1F 37748262 LJZWTHRQBQKJHY-LLVKDONJSA-N 272.298 3.687 30 20 CHED CC1(C(=O)NCc2ccc(C#N)cc2)CCCCCC1 180434100 IYNYWQDJMCZQHI-UHFFFAOYSA-N 270.376 3.535 30 20 CHED CC(C)(C)c1ncc(CNCc2cccc(C#N)c2)s1 62103597 AFGJVHDALILISA-UHFFFAOYSA-N 285.416 3.602 30 20 CHED CC[C@@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 404151993 MWCZCMFPLHRWCF-DOMZBBRYSA-N 260.356 3.756 30 20 CHED CCCCCCCNc1cc(C(=O)O)ccc1[N+](=O)[O-] 703757223 RIRFTUGXNIIBKU-UHFFFAOYSA-N 280.324 3.675 30 20 CHED C[C@@H]1CCCC[C@H]1CNc1ccc(OCC#N)cc1 394774420 BNTJZAFBHXEKMY-KGLIPLIRSA-N 258.365 3.827 30 20 CHED C=CCCC[C@@H](C)NC1CCN(c2ccccc2)CC1 398187550 QLDMVENYMRQUKU-MRXNPFEDSA-N 272.436 3.990 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C(=O)OCC)c1ccccc1 398174379 MGDRBEJGRSLZLU-GDBMZVCRSA-N 275.392 3.625 30 20 CHED C[C@H](CNc1ncc(C#N)cc1Cl)C(C)(C)C 734480134 KVTYDBNXRSWMPP-SECBINFHSA-N 251.761 3.701 30 20 CHED N#Cc1cccc(CN2CCS[C@H]3CCCC[C@H]32)c1F 340887419 ZKWAUTLSWUOJAD-CABCVRRESA-N 290.407 3.557 30 20 CHED COc1ccc(C#N)cc1NC(=O)N[C@@H](C)CCC(C)C 50092484 WIQLCOJARFTMDB-LBPRGKRZSA-N 289.379 3.513 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(COC(C)C)cc1 117003483 LLRWHELZDGWQOS-ZDUSSCGKSA-N 276.380 3.698 30 20 CHED CC[C@@H](C(=O)N(C)c1ccc(C#N)cc1)c1ccccc1 61954796 PCHXNWDVQUNIBI-QGZVFWFLSA-N 278.355 3.715 30 20 CHED C=CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 53675956 PIUDOHMCHPVGQC-UHFFFAOYSA-N 297.320 3.819 30 20 CHED C#CCCCN[C@H]1CCSc2ccc(Cl)cc21 178056492 XONFLRKPKBHOGV-ZDUSSCGKSA-N 265.809 3.880 30 20 CHED Cc1cc(N(C)C)ccc1N[C@@H](C#N)C1CCCCC1 115606055 DIIOWNAECUCHNW-KRWDZBQOSA-N 271.408 3.945 30 20 CHED CC(C)c1ccc(-c2nnc(S[C@@H](C)C#N)o2)cc1 66261170 YFNZRRZDWIQFPP-JTQLQIEISA-N 273.361 3.864 30 20 CHED C[C@H](CC(=O)Nc1ccccc1C#N)c1cccc(F)c1 115972493 CDVZCPJOFZAHJT-GFCCVEGCSA-N 282.318 3.830 30 20 CHED N#Cc1ccccc1CSc1nnc(-c2cccs2)o1 28229915 UCCIMOPKIOKLFQ-UHFFFAOYSA-N 299.380 3.962 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(C)[C@H](C#N)CCC 410833356 GNKIDGAXFQLIQA-KBPBESRZSA-N 252.402 3.599 30 20 CHED CC(C)CCOc1ccc(NC(=O)C(C)(C)C#N)cc1 175279461 HPCOBEXIIXMJEE-UHFFFAOYSA-N 274.364 3.600 30 20 CHED C=CCNC(=O)[C@@H](C)Sc1c(Cl)cccc1Cl 69449946 SLUOBFXAYMSPAP-MRVPVSSYSA-N 290.215 3.776 30 20 CHED CCOc1ccc(C#N)cc1NCc1sccc1C 181418657 LYFZEZBXTXBRNP-UHFFFAOYSA-N 272.373 3.939 30 20 CHED O=C1/C(=C\c2cccc(F)c2)Cc2ccc(F)cc21 176410849 SRZNFUVVOPIPKS-SDQBBNPISA-N 256.251 3.787 30 20 CHED CCSc1ccc([C@H](C)NC[C@@H](C#N)CCC#N)cc1 112543459 GYYPONFHVVVXLW-UONOGXRCSA-N 287.432 3.893 30 20 CHED CN(CCC#N)C(=O)Nc1cccc(Oc2ccccc2)c1 176557275 NOJQZTCWZHBUEW-UHFFFAOYSA-N 295.342 3.856 30 20 CHED CC1(C)CCc2ccccc2[C@H]1NC(=O)NCCCCC#N 179174031 SIYCLDWAMZZTNV-MRXNPFEDSA-N 299.418 3.693 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(c2c(F)cc(C#N)cc2F)C1 302161819 YQMSNAOZSXWFNM-BZNIZROVSA-N 299.324 3.819 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1coc2cc3c(cc12)CCC3 172321999 DFPSBIWIIXBZIG-GFCCVEGCSA-N 283.371 3.545 30 20 CHED N#Cc1ccc(N2CCCC3(CC3)C2)c(C(F)(F)F)c1 302257942 ORFMQYMNCNEHEY-UHFFFAOYSA-N 280.293 3.957 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CCC[C@H](C)C1 303837408 CKOJKELGOZYLRE-HOCLYGCPSA-N 278.440 3.991 30 20 CHED C[C@H](NC(=O)C1(C#N)CCC1)c1cccc2ccccc12 128321123 DMHVKZXJKKPWQZ-ZDUSSCGKSA-N 278.355 3.711 30 20 CHED CC[C@H](CC#N)Nc1ncnc2sc3c(c12)CCCC3 302173506 VITUUGWQIMYWBF-SNVBAGLBSA-N 286.404 3.674 30 20 CHED N#Cc1cnc(N[C@@H](c2cccc(F)c2)C2CCCC2)cn1 126948054 NJSUPWUPOGPGPX-QGZVFWFLSA-N 296.349 3.831 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)ccc1OC(C)C 180474417 FCNYSUDCKGTBHG-UHFFFAOYSA-N 281.783 3.775 30 20 CHED CC(C)(C)C[C@@H](NC(=O)c1cccc(C#N)c1)C(F)(F)F 183019062 UFCMJHOEGKGRKL-GFCCVEGCSA-N 298.308 3.655 30 20 CHED N#CCOc1cccc(N[C@@H]2CCc3ccccc3C2)c1 37300692 UKAVTLKRNPECLG-QGZVFWFLSA-N 278.355 3.558 30 20 CHED N#Cc1ccc(C(=O)OCc2ccsc2)cc1Cl 125004434 YEPLJMKSVHHENB-UHFFFAOYSA-N 277.732 3.630 30 20 CHED COc1cccc(/C=C2/Oc3ccc(Cl)cc3C2=O)c1 213983986 NTKUXYRUPCFAGP-OVCLIPMQSA-N 286.714 3.965 30 20 CHED Cc1ccsc1CNc1ccc(F)cc1OCC#N 181546524 SBIXMAANWLELQA-UHFFFAOYSA-N 276.336 3.710 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)[C@@H]1C[C@H]1c1cccs1 417351669 SLNJQCVIVAOYMV-KHMAMNHCSA-N 277.433 3.563 30 20 CHED C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(C#N)cc1 72936877 GGLBXQJZHMBXOF-AWEZNQCLSA-N 294.354 3.602 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)CCC1 412458628 CUVXMVKDXAPMEH-LSDHHAIUSA-N 261.409 3.675 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1cccc(C2CC2)c1 412288791 MCWMBFLLJHMVTE-QGZVFWFLSA-N 269.388 3.674 30 20 CHED CCOc1cccc(/C=N/[C@@H]2CC(C)(C)OC2(C)C)c1O 182048171 UPZQXMOQVPXUHK-XWAFYUISSA-N 291.391 3.556 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1 213641371 KUCVKJUPOZNUBF-WAPJZHGLSA-N 299.276 3.763 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(C)cc1C 126725705 ZGQOCARBRXXFCS-UHFFFAOYSA-N 271.404 3.731 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(Cl)c(Cl)c1 120726602 RNPUUAREQLIQQQ-ZDUSSCGKSA-N 285.174 3.661 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](Cc3ccccc3)C2)CCC1 188046265 DYYWQNHIRWFEKE-KRWDZBQOSA-N 283.415 3.824 30 20 CHED C=CCN(CC=C)Cc1cnc(C(C)(C)C)s1 158137900 BIVNPKPCFFAVCQ-UHFFFAOYSA-N 250.411 3.615 30 20 CHED Cc1cc(C(=O)N(C)c2cccc(C#N)c2)cc(C)c1F 121487062 BIDRVHROQAZKDD-UHFFFAOYSA-N 282.318 3.591 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 505007025 YVOKFTAPMRLVBR-KRWDZBQOSA-N 284.403 3.830 30 20 CHED COCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(C)(C)C 509000641 UIRZHLDMGMNLCS-CZUORRHYSA-N 274.408 3.660 30 20 CHED CC(C)C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 72503003 UHKAUPGUMFHRDZ-OAHLLOKOSA-N 285.391 3.653 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1c(C)cc(C)cc1C 506712928 VUTMAFGIJAGQPM-UHFFFAOYSA-N 288.435 3.762 30 20 CHED CCN(Cc1ccncc1)[C@@H](C)c1ccc(C#N)cc1 130284836 BJDBJGUQXZEKBW-AWEZNQCLSA-N 265.360 3.536 30 20 CHED Cc1ccc([C@]2(C)CCN([C@H](C)CCC#N)C2)cc1 411675035 OMDVELILXJRHLQ-NVXWUHKLSA-N 256.393 3.651 30 20 CHED C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(C2CC2)cc1 416052743 CNFGAORKVGVYMH-CYBMUJFWSA-N 290.366 3.927 30 20 CHED CCC(C#N)(CC)C(=O)NC1CCCCCCC1 44764793 SRVVMXDOGHVUQH-UHFFFAOYSA-N 250.386 3.545 30 20 CHED CC(C)c1csc(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)n1 328910559 FSWOXJXNEKXIPO-ZJUUUORDSA-N 280.393 3.860 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(F)ccc1OCC1CC1 410760478 JRMLGZGOYDUXIP-UHFFFAOYSA-N 277.339 3.765 30 20 CHED CC(C)(C)CN(CCC#N)CCCCC1CCOCC1 337190130 RRIWBEJIDFQYBF-UHFFFAOYSA-N 280.456 3.845 30 20 CHED CC(C)(C(O)=Nc1nc2cccnc2[nH]1)C1CCCC1 328792495 AHDCEXRULQFTET-UHFFFAOYSA-N 272.352 3.762 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCS2)cc1Br 228192124 HWQFPLPMNCQPOD-NSHDSACASA-N 297.221 3.628 30 20 CHED CC[C@H]1CCc2nc(N=C(O)C[C@H]3CCOC3)sc2C1 329862765 YTWRFVJTRSJXLL-WDEREUQCSA-N 294.420 3.673 30 20 CHED C=CCOc1ccccc1C(=O)N(C)Cc1ccccc1 45052840 QBSNRTAOBNKMTN-UHFFFAOYSA-N 281.355 3.524 30 20 CHED C#Cc1cccc(NC(=O)NC2(c3ccccc3F)CC2)c1 133187202 NYQSUEKXVHQHSI-UHFFFAOYSA-N 294.329 3.618 30 20 CHED OC1=N[C@@H](/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1 328769218 CBRZASXVFVNMNJ-REWJHTLYSA-N 278.396 3.811 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1C[C@H]1C1CCC1)c1ccccc1 424973926 AATBNLHODPTDKZ-XOKHGSTOSA-N 269.388 3.651 30 20 CHED N#CCC[C@H](NCc1cccc(F)c1)c1ccccc1 130537234 NFGCPQAEOZKUET-KRWDZBQOSA-N 268.335 3.960 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(F)cc1 195343479 SHEUJWJUKOIHHG-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CCC[C@@H](C)CC(=O)N(CCC#N)CC(CC)CC 519156446 LAAUAQHMLBTZTC-CQSZACIVSA-N 266.429 3.991 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc2cccc(C)c2s1 519221752 HTHOXNUZWZOFDN-GFCCVEGCSA-N 272.373 3.632 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(CN(C)CCCC)CC1 424658371 PTDUTPIAGBCQBO-UHFFFAOYSA-N 294.483 3.559 30 20 CHED N#C[C@@H](C(=O)CC1CCCCCC1)c1ccccn1 135833531 HPZXOMRZKITHSL-CQSZACIVSA-N 256.349 3.618 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CCSCC 425522016 ZYANUHRSSKBTQW-LBPRGKRZSA-N 257.443 3.579 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCCOc1ccc(C)cc1 424601697 LCXAALPDNGMTAZ-UHFFFAOYSA-N 289.419 3.873 30 20 CHED C=CCN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510424585 LKZURVHXCDROPD-SNVBAGLBSA-N 281.224 3.667 30 20 CHED C=CC[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] 227277894 BDGULDNDOFLVEA-QMMMGPOBSA-N 285.141 3.734 30 20 CHED C[C@H](NCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 192915031 NGVUDQPZJUXJFT-AWEZNQCLSA-N 289.382 3.933 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C(F)F)cc2)C1 335931974 POFATPBFIIRWTP-MEDUHNTESA-N 292.329 3.826 30 20 CHED CCC(CC)(C(=O)N[C@H]1CCC[C@H]1C#N)c1ccccc1 331114951 KJODQKANOOFSHE-HOCLYGCPSA-N 284.403 3.553 30 20 CHED C[C@H]1SCC[C@@H]1Nc1ccc(C#N)cc1Br 235611049 GBZVWBRLJJOQKL-KCJUWKMLSA-N 297.221 3.627 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@@H](CC(C)C)C1 337861802 NRIWUNYQVXKRJZ-AWEZNQCLSA-N 288.439 3.604 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 333081606 MDLLWXRSDHUMBJ-IIDMSEBBSA-N 288.435 3.793 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCc2cc(F)ccc21 424606982 ZHRAITBNVBGHFX-AWEZNQCLSA-N 261.340 3.532 30 20 CHED CCc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)o1 425367239 RZDXLQZSFRWEIE-CYBMUJFWSA-N 268.360 3.907 30 20 CHED N#Cc1ccc(NC(=O)N2CCc3ccccc32)cc1Cl 514508637 XOFBNAMWOLRVJX-UHFFFAOYSA-N 297.745 3.806 30 20 CHED Clc1cccc(C#CCN2CC[C@H]3CCC[C@H]32)c1 426478278 AMNPFTMKNKPSCC-GDBMZVCRSA-N 259.780 3.566 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(Br)s1 161729534 WXGLUODLRSCKRY-SSDOTTSWSA-N 280.618 3.914 30 20 CHED C=CC[C@H](NCc1cccc(-c2ccccc2C)c1)C(=O)O 426802194 XNTQSMXDHAATRJ-SFHVURJKSA-N 295.382 3.781 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCCOc1ccc(F)cc1 424560198 LTPJPSQHYIPYGT-UHFFFAOYSA-N 293.382 3.703 30 20 CHED CC(C)[C@H]1CCCCN1c1ccc(Cl)c(C#N)n1 92913630 BLEBBUMGCJVDEO-CYBMUJFWSA-N 263.772 3.622 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)C1(C#N)CCCCC1 336177924 FGIHNEPIKBQBQE-UHFFFAOYSA-N 281.359 3.889 30 20 CHED Cc1coc(C)c1C(=O)N[C@H](C#N)c1ccccc1Cl 335913030 BUALJDMWIXNCMB-CYBMUJFWSA-N 288.734 3.545 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](CC2CC2)C1 338808641 HXKLNHNTYBZRAS-LLVKDONJSA-N 295.308 3.598 30 20 CHED CC[C@@H]1CCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC1 332214529 HWUUCDDMKFWGJO-CZUORRHYSA-N 285.391 3.647 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nc(C(C)(C)C)cs1 339085805 LTOMSEVFGAPRHU-QJPTWQEYSA-N 277.437 3.783 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cc(COC)cc(C(=O)OC)c1 430199166 BCYADANXAZSKPY-CHWSQXEVSA-N 291.391 3.632 30 20 CHED CC(C)CCOc1ccc(CNCCCCC#N)cc1 236769390 UHXFGWSYBPTGGU-UHFFFAOYSA-N 274.408 3.895 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC=C(c2cccc(C)c2)CC1 92517666 PWDOQJAONFGTKB-MRXNPFEDSA-N 299.414 3.592 30 20 CHED N#CC1(F)CCN(Cc2c(Cl)cccc2Cl)CC1 510932763 BRYAWAZURIXHOF-UHFFFAOYSA-N 287.165 3.821 30 20 CHED CCCn1c(S[C@@H](C)C#N)nnc1-c1cccc(C)c1 97603654 HTVHOVFVUCBMBF-LBPRGKRZSA-N 286.404 3.668 30 20 CHED Cc1nc2cc(N=C(O)N3CC[C@@H]4CCC[C@H]43)ccc2o1 330254861 PKKYJZOSWJAEFS-SMDDNHRTSA-N 285.347 3.556 30 20 CHED Cc1ccc(C(=O)N(C)C2(C#N)CCC2)c2ccccc12 335190846 FMZZUAIIMYEMEE-UHFFFAOYSA-N 278.355 3.667 30 20 CHED CCN(CCOc1cccc(C#N)c1)Cc1ccc(C)cc1 521859796 SSZJYIKPPKLGSA-UHFFFAOYSA-N 294.398 3.768 30 20 CHED CC[C@H](CC#N)N[C@H]1CC[C@@H](Cc2ccccc2)C1 249968579 XHWKLLKMHUDTFI-BBWFWOEESA-N 256.393 3.680 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H]2CCC[C@H]21 432570414 UZOKXKZCAKEOEH-ZIAGYGMSSA-N 264.413 3.563 30 20 CHED CN(Cc1ccc(C#N)cc1F)CC1(c2ccccc2)CC1 438270789 LZAZKYBIELXTAI-UHFFFAOYSA-N 294.373 3.861 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2ccn(C)c2c1 349207011 FWTCKJKNCQMQRR-UHFFFAOYSA-N 256.349 3.719 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)C[C@@H](O)c1ccco1 245699401 QMYCLBBUFYIBSZ-SOUVJXGZSA-N 265.397 3.816 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)nc1C 294327938 RJBCLYIARQCFDB-UHFFFAOYSA-N 252.745 3.584 30 20 CHED C=CCCCNc1ccc(Cl)cc1C(=O)NCC1CC1 607149850 QKTLDKYPFJTKNA-UHFFFAOYSA-N 292.810 3.858 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(C(C)C)n1 343245211 FGEXNIXFOJQZDW-CYBMUJFWSA-N 260.381 3.680 30 20 CHED Cc1cc(NC(=O)[C@H](C#N)CCc2ccccc2)cs1 601875287 BMEBJTHQDZHSOE-AWEZNQCLSA-N 284.384 3.768 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)[C@@]1(C)CCCO1 340319112 JSWXIEUVAGBJPG-WMLDXEAASA-N 288.391 3.739 30 20 CHED Cc1ccc(C)c(CC(=O)N(CCC#N)CCC(C)C)c1 349382898 CKGQROPKPRECQU-UHFFFAOYSA-N 286.419 3.634 30 20 CHED CC(C)CN(C(=O)CCc1ccc(C#N)cc1)C1CCCC1 603530372 ZDLQZDFPLOBCQF-UHFFFAOYSA-N 298.430 3.918 30 20 CHED C=CCCCSCCOc1cccc(C(=O)OC)c1 522757322 ZKOQHIYQLUTUDO-UHFFFAOYSA-N 280.389 3.551 30 20 CHED C[C@](C#N)(NC(=O)c1cc(F)cc(F)c1)C1CCCCC1 609638128 BTAZQCHSXVBRKG-MRXNPFEDSA-N 292.329 3.557 30 20 CHED CC[C@@H](NC(=O)c1ccc(CC#N)cc1)c1cccs1 340095228 VNUGRYHPHYMWQD-CQSZACIVSA-N 284.384 3.695 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)C1 523971805 ZMWNKEBJKRFGNF-AIANPOQGSA-N 276.424 3.791 30 20 CHED CC(C)(CCC#N)CN[C@H]1Cc2[nH]c3ccccc3c2C1 348211638 FINGGZFEPJJVMZ-CYBMUJFWSA-N 281.403 3.555 30 20 CHED CC1(c2cc(C(F)F)nn2Cc2ccc(C#N)cc2)CC1 601947931 VCPVDYYMAJNTNL-UHFFFAOYSA-N 287.313 3.792 30 20 CHED N#Cc1ccc(F)c(-c2cccc(CO[C@@H]3CCOC3)c2)c1 602421994 RPDWSMBPNMTATR-MRXNPFEDSA-N 297.329 3.670 30 20 CHED Cc1c(C#N)cccc1-c1nc([C@@H]2C[C@H]3CC[C@H]2C3)no1 345918468 AYTFYBXVAFPSGO-SLEUVZQESA-N 279.343 3.820 30 20 CHED COc1ccc2oc(/C=C/c3ccncc3C#N)cc2c1 349116502 ZXIQNDAGIQLPNW-NSCUHMNNSA-N 276.295 3.878 30 20 CHED Cc1cccc(-c2n[nH]cc2CNCC(C)(C)CCC#N)c1 342303433 ONMOZYLNEKUTRE-UHFFFAOYSA-N 296.418 3.805 30 20 CHED N#C[C@@H]1CCC[C@H]1N[C@H]1CCc2cc(F)c(Cl)cc21 600144694 MTPAHUZGUSJCQC-VQISRLSMSA-N 278.758 3.748 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(N(CC)CCC)cc1 522645020 XVYYPLVHBUCTFJ-AWEZNQCLSA-N 274.408 3.617 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(Cl)c1F 540525450 NPRJTZOAYOPQDW-SNVBAGLBSA-N 269.747 3.954 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(C#Cc2ccccc2)c1 340162076 DMBZKYODJJEYOW-UHFFFAOYSA-N 288.350 3.575 30 20 CHED CCOc1ccc(C=NOCc2cccnc2Cl)cc1 255445609 FRKMMRDVSGWDSD-UHFFFAOYSA-N 290.750 3.684 30 20 CHED O=C(/C=C\c1ccc(O)c(Br)c1)c1ccco1 255627685 FKTUWKXSPIUMEC-XQRVVYSFSA-N 293.116 3.644 30 20 CHED COc1ccc([C@H](C)NC[C@H](C)CCC#N)c(C)c1OC 602661358 DGRBUDUSHAMNRU-OCCSQVGLSA-N 290.407 3.603 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NC[C@@H](C)CCC#N)c1 602558332 OTMMHWCKYYAGMT-XJKSGUPXSA-N 258.409 3.764 30 20 CHED Cc1ccc(-c2ccc([C@H]3CCCN3)cc2)c(C#N)c1 600774962 HECGMPPOYIQARN-GOSISDBHSA-N 262.356 3.958 30 20 CHED C=C(C)CCN[C@H]1CCC[C@@H](c2ncccc2C)C1 449470940 BRXZCHPGDBDGRQ-CVEARBPZSA-N 258.409 3.972 30 20 CHED COCCN(C[C@H](C)CCC#N)[C@H](C)c1ccccc1 602443601 GHALKWLJALAUQC-HZPDHXFCSA-N 274.408 3.636 30 20 CHED C=CCCCCCN(C)C(=O)COc1ccc(CC)cc1 606817383 YVFHZWRHOMLDOH-UHFFFAOYSA-N 289.419 3.833 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](CSc2ccccc2)C1 449982550 VDDLCUOSEPHTFW-AWEZNQCLSA-N 289.444 3.839 30 20 CHED CCCCc1ccc(C(=O)N(CCC#N)CC2CC2)cc1 609142670 QGRHZHRJNJFAOT-UHFFFAOYSA-N 284.403 3.795 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccc(OC)cc2)cc1 264930892 AMUSVLFRZXLSRE-OAHLLOKOSA-N 295.382 3.558 30 20 CHED C=CCC(CC=C)C(=O)NCCCCCN1CCCCC1 268154712 BZRZXSUWCJLKIH-UHFFFAOYSA-N 292.467 3.527 30 20 CHED CC(C)CSCCN[C@H]1CCCc2cc(C#N)ccc21 611394463 KIAZWJYRKIHFNP-KRWDZBQOSA-N 288.460 3.914 30 20 CHED N#Cc1ccc(Oc2ncncc2-c2ccccc2)cc1 538147573 JZXYTDPWUJGDHJ-UHFFFAOYSA-N 273.295 3.808 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(CC(F)(F)F)c2)C1 442850659 DMHOQHBUXYYHNQ-YPMHNXCESA-N 268.282 3.896 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(F)cn1 357187961 YYJVTBFUDNWTGA-UHFFFAOYSA-N 295.239 3.723 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCc3cc(C#N)ccc32)n1 618693726 NTTBKZIYIPFRNY-QGZVFWFLSA-N 288.354 3.541 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC=CC[C@H]1C 354084342 QNIMGYXSUNGEKU-TZMCWYRMSA-N 283.375 3.531 30 20 CHED Cc1cn(CCCSCc2ccccc2)cc1C#N 536374975 NIIBCDROVUACNR-UHFFFAOYSA-N 270.401 3.992 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3S2)C1 617787503 PVXOVJPJDZSWRT-CJNGLKHVSA-N 287.428 3.518 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C#N)ccc1NC1CC1 355641136 FVLKHZPDYGSQHK-UHFFFAOYSA-N 295.386 3.839 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C)OCC 534424057 OYIKTRKDCUPHEJ-KKUMJFAQSA-N 281.440 3.689 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(OC)cc1 268168204 PKFOZVLQTYSDDV-ZDUSSCGKSA-N 273.376 3.641 30 20 CHED CCC[C@@H](CC)NCc1ccc(C#N)c(Cl)c1 619755793 TWKWEBPLSQZULP-CYBMUJFWSA-N 250.773 3.880 30 20 CHED Cc1cc(CSCCCOc2cccc(C#N)c2)on1 268591214 MTIVPHJVRYSTBX-UHFFFAOYSA-N 288.372 3.557 30 20 CHED CC[C@@H](C)n1[nH]c(=N[C@@H](C)c2ccc(C#N)cc2)cc1C 538418125 AFGNFPHZYHWTGE-OCCSQVGLSA-N 282.391 3.629 30 20 CHED C=CCOc1cccc(CNCc2ccccc2N(C)C)c1 531250379 WSUPHNPSIDIKJV-UHFFFAOYSA-N 296.414 3.607 30 20 CHED CC(C)CCc1ccc(NC(=O)N(C)CCC#N)cc1 531254365 LHWJFBMOUAHZHS-UHFFFAOYSA-N 273.380 3.653 30 20 CHED Cc1cn(CCOc2ccc3ccccc3c2)cc1C#N 532906730 SNIDNYPKIOAVKK-UHFFFAOYSA-N 276.339 3.900 30 20 CHED C=CCCN1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 532244508 XBCZYDXBETYOIB-MOPGFXCFSA-N 284.447 3.549 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(-c2ccccc2)no1 539441224 VMJMFGNPNHLMOM-CYBMUJFWSA-N 284.359 3.816 30 20 CHED C=C(C)[C@H](CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21)OCC 535895724 LBFHQPBHIJZCLU-NXOAAHMSSA-N 293.451 3.785 30 20 CHED C=CCC1(NC(=O)c2cncc(C(F)(F)F)c2)CCCC1 619111401 ZXHHWWHUSZUSKC-UHFFFAOYSA-N 298.308 3.719 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2cccc(F)c2)CCCC1 619108096 PBPFGRYLUIQPQU-CYBMUJFWSA-N 275.367 3.934 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1OCC 453352028 KORUPTFSLYECIE-JSGCOSHPSA-N 297.826 3.716 30 20 CHED C=CCCc1noc([C@@H](C)Cc2ccccc2F)n1 453251323 ZHHYVNSHNKFYQA-NSHDSACASA-N 260.312 3.674 30 20 CHED N#Cc1ccc(OC(=O)C2CCC(C(F)(F)F)CC2)cc1 278242157 LQLLQTSKMDQSTB-UHFFFAOYSA-N 297.276 3.832 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 361188507 SSNYCOPOVLUHRJ-GXFFZTMASA-N 267.319 3.733 30 20 CHED CC1=C(C(=O)N[C@@H](C#N)C(C)(C)C)CCC(C)(C)C1 450109906 DCLADPIIMBKODG-ZDUSSCGKSA-N 262.397 3.567 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 456060004 IKGHNRGLUZXBSG-UHFFFAOYSA-N 298.430 3.845 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cc2cccc(F)c2o1 613365917 XETKDHRZFFKIJX-INIZCTEOSA-N 288.322 3.630 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC(F)F)cc1 453357682 OUFBNDSMYSZXKQ-GLQYFDAESA-N 297.345 3.672 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 543632354 OBNADCMJYKDZLB-XEZPLFJOSA-N 265.372 3.846 30 20 CHED N#Cc1ccc(SC2Cc3ccccc3C2)c(F)c1 610675389 SVXIUTFLNGGUGV-UHFFFAOYSA-N 269.344 3.957 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC[C@@H](C)c1ccccc1 275382820 BPBOTNMOJRUYCE-QAPCUYQASA-N 289.419 3.525 30 20 CHED N#CCN(Cc1nc(C2CCCCC2)cs1)C1CC1 277580287 CEFJYOGWKANHHS-UHFFFAOYSA-N 275.421 3.679 30 20 CHED CC(C)Oc1cc(F)ccc1NCc1ccc(C#N)o1 272283594 DVLHRAPFAOPEPP-UHFFFAOYSA-N 274.295 3.690 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(-c2c(C)noc2C)cc1 277340561 WCVQOQKHEQTDJQ-UHFFFAOYSA-N 297.354 3.913 30 20 CHED C=CCC1(C(=O)NCCc2cccc(C)n2)CCCCC1 451321533 OTJVMZKYPUQVTD-UHFFFAOYSA-N 286.419 3.575 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCO[C@@H](c2ccccc2)C1 275027891 RNFGYAQSVLUQNG-DNVCBOLYSA-N 292.382 3.693 30 20 CHED C=CCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 451879662 RZAPAZGPNPDBDN-HNNXBMFYSA-N 255.365 3.666 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(F)ccc1OC 361181676 PXCLRFPEEZGYHO-UHFFFAOYSA-N 292.398 3.986 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](CC)c1ccccc1)OCC 270050476 QZTAOQXFCOBUFS-JKSUJKDBSA-N 275.392 3.625 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 540341155 VCBHLRWCODTMBZ-MRXNPFEDSA-N 294.373 3.995 30 20 CHED C=C[C@@](C)(CC)c1nc(C2(OC)CCCCC2)no1 453227117 CNCBJSATCIBSEL-AWEZNQCLSA-N 264.369 3.729 30 20 CHED C=CCCC(C)(C)NC(=O)CCCOc1ccccc1F 620861408 OZSAYPXSKPXAGV-UHFFFAOYSA-N 293.382 3.846 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCc1cccnc1 360828718 ADDGDFFZYLSUCM-IBGZPJMESA-N 291.398 3.553 30 20 CHED C=C(C)CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 368443377 WRLPYWMSPMWCHO-LBPRGKRZSA-N 274.339 3.722 30 20 CHED C=CCC1(NC(=O)CCCC(=O)C2CC2)CCCCC1 456359193 BRTWSOCFDHWMCW-UHFFFAOYSA-N 277.408 3.531 30 20 CHED C#CCC1(C(=O)N[C@@H](C)CCc2ccco2)CCCCC1 276254680 HXZRLHWMAMIVLL-HNNXBMFYSA-N 287.403 3.691 30 20 CHED C=CCCN(C)C(=O)C1(Cc2ccccc2Cl)CC1 276451926 URJVIBVGISWFHA-UHFFFAOYSA-N 277.795 3.697 30 20 CHED C=C(C)CN(C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 373198234 NZPNRLFLKYDEPI-CYBMUJFWSA-N 271.364 3.614 30 20 CHED C=CCN1CC[C@@H](Nc2ccc(-c3ccccc3)cc2)C1=O 540810595 VIBFKOHNLKFGTA-GOSISDBHSA-N 292.382 3.552 30 20 CHED Cc1cc(C)c2c(c1)CCCN2C(=O)CC(C)(C)C#N 278952907 HIPKDMCNYAMHFH-UHFFFAOYSA-N 270.376 3.523 30 20 CHED C=CCC[C@H](O)CN[C@H](C)[C@@H](C)C1CCCCC1 543463352 KIZWQHSURCJKPX-FMKPAKJESA-N 253.430 3.508 30 20 CHED C=C(C)CNC(=O)CCC[C@@H](C)c1cccc(OC)c1 278678747 HWWHGTQVKRITHS-CQSZACIVSA-N 275.392 3.661 30 20 CHED C=CCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 271668278 MEKLBVKYWITJCK-LBPRGKRZSA-N 261.262 3.985 30 20 CHED C=CCCN(C)Cc1ccc(OCCC)c(OCC)c1 467372549 CIBOZIXWYMOYRR-UHFFFAOYSA-N 277.408 3.882 30 20 CHED C#CCCCC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1OC 286893346 JFSTXZVXUMFRAT-WBVHZDCISA-N 299.414 3.798 30 20 CHED C[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(F)cc1 463648536 IGXXPRVIXMQJHA-NSHDSACASA-N 299.305 3.821 30 20 CHED CC(C)CC(C)(C)CNC(=O)[C@@H](C)c1cccc(C#N)c1 462174217 GAAPMOKTUXMIKG-AWEZNQCLSA-N 286.419 3.850 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 285068000 JVFBLSJMVQLCFO-GUYCJALGSA-N 288.391 3.658 30 20 CHED CSc1ccccc1C(=O)N(CCC#N)CCC(C)C 280521705 BCBIJILVJNPRIY-UHFFFAOYSA-N 290.432 3.810 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1CC)C(C)(C)C 807878786 CFJFDNBYBXDFQH-BBWFWOEESA-N 283.415 3.517 30 20 CHED C=CCOCCCN1C[C@@H](C)C[C@H]1c1ccccc1F 470782072 PSXQSFIGEGQYAT-YOEHRIQHSA-N 277.383 3.801 30 20 CHED CCCN(CCCC(C)(C)C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 472233765 NPBWFSGBKQMGOD-XHSDSOJGSA-N 292.467 3.842 30 20 CHED N#Cc1csc(CN2Cc3cccc(Cl)c3C2)c1 809771953 QTHIUSAHZQSDPX-UHFFFAOYSA-N 274.776 3.789 30 20 CHED C=CC(C)(C)c1nc([C@H](OC)c2ccccc2Cl)no1 296650620 DKNGCXUYZSYNLJ-GFCCVEGCSA-N 292.766 3.922 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C/c2cn(C)cn2)cc1 800792708 WLURINLBIPZLCX-CMDGGOBGSA-N 268.360 3.515 30 20 CHED Cc1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1F 298009452 SJTXTZRWQLIMCF-INIZCTEOSA-N 272.323 3.547 30 20 CHED Cc1ccccc1[C@H](N[C@@H]1CC[C@H](C#N)C1)C(C)C 471590200 VFKBLYJHYMRRMN-ZMSDIMECSA-N 256.393 3.974 30 20 CHED CC(=O)c1ccc(OCCOc2ccccc2C#N)c(C)c1 476708848 ZMZLXXBIGCXBJX-UHFFFAOYSA-N 295.338 3.527 30 20 CHED CCCOc1ccc(OC(=O)CCCCCC#N)cc1 805847328 APMBWWOIRCIZDA-UHFFFAOYSA-N 275.348 3.855 30 20 CHED Cc1cc2ccccc2[nH]c1=NCC(C)(C)CCC#N 563908977 DIOGMOOIUYECFI-UHFFFAOYSA-N 267.376 3.707 30 20 CHED COc1ccc(/C=C2/C(=O)c3ccccc3[C@@H]2C)cc1C#N 809157050 QBEFRVDMWKZMON-VAKHEIKFSA-N 289.334 3.950 30 20 CHED C=CCOc1ccc(COC(=O)c2cc(C)cc(C)n2)cc1 800940038 GANMYOQTXIUXMO-UHFFFAOYSA-N 297.354 3.620 30 20 CHED C=CCN(CCC#N)C(=O)/C(C)=C/c1cccc(Cl)c1 293768593 NIULKWRDEYYLSE-ACCUITESSA-N 288.778 3.672 30 20 CHED C[C@@H](CCCCO)Nc1ccc(C#N)cc1C(F)(F)F 296415666 WZDRJCIYNUBJIO-JTQLQIEISA-N 286.297 3.540 30 20 CHED C=CC(C)(C)C(=O)N1CCC(Oc2ccc(C)cc2)CC1 295062289 KUTLTEUNFGMARH-UHFFFAOYSA-N 287.403 3.577 30 20 CHED C=CCCCc1nc(COc2ccc(Cl)c(F)c2)no1 560037926 TXBBVXOEVBVNHP-UHFFFAOYSA-N 296.729 3.950 30 20 CHED C=CCOc1cccc(CN[C@@H](CO)CCC(C)(C)C)c1 475681656 XWNJJSMPHCSKRB-MRXNPFEDSA-N 291.435 3.528 30 20 CHED C#CCC1(c2nc(-c3coc(CCC)n3)no2)CCCCC1 809533520 FGZUZRFMHJCOEP-UHFFFAOYSA-N 299.374 3.902 30 20 CHED CC(C)(C#N)CCN[C@@H]1c2ccccc2CC12CCOCC2 290105966 JCVNEWVCFJVWEM-QGZVFWFLSA-N 298.430 3.610 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C=C1CCC(C)CC1 804836238 BHBQRPHUQFEWGA-UHFFFAOYSA-N 281.399 3.785 30 20 CHED CCCCCCCCn1ccc2ccncc2c1=O 810009674 DUBLZQSDFYZZFF-UHFFFAOYSA-N 258.365 3.757 30 20 CHED C=CC[C@H](C(=O)OCc1cccnc1C)c1ccccc1 810884375 LJNTYAADHOSZBT-KRWDZBQOSA-N 281.355 3.793 30 20 CHED C=C(C)CNC(=S)Nc1ccc(-c2ccccn2)cc1 811719603 KPWADNINGSMGOK-UHFFFAOYSA-N 283.400 3.611 30 20 CHED N#Cc1ccc(OCCCc2cccc(F)c2)cc1 483911883 HLCWCQUXHPXNDL-UHFFFAOYSA-N 255.292 3.709 30 20 CHED CC[C@@H](C)[C@@H](C)NCc1ccc(Cl)cc1C#N 480901083 RTIXTCXEXNZJMM-GHMZBOCLSA-N 250.773 3.736 30 20 CHED COCCC(C)=NNc1ccc(Br)cc1C 814836424 PVJFFRGZZBMPSV-UHFFFAOYSA-N 285.185 3.582 30 20 CHED C=CCOCC(=O)N1CCC[C@@H]1CCC1CCCCC1 488268013 QXWGJYAZASOTHY-MRXNPFEDSA-N 279.424 3.541 30 20 CHED C#CCON=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 812234178 SUKDBEKCEPOWEB-UHFFFAOYSA-N 293.244 3.949 30 20 CHED N#C[C@H](Sc1nnnn1C1CCCCC1)c1ccccc1 579496034 VJSFIKDHIDXHHA-AWEZNQCLSA-N 299.403 3.535 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cncnc1C 655777388 UNYUNECXUYCXIT-NVXWUHKLSA-N 281.403 3.623 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cc(O)nc3ccccc23)no1 577918466 VWFSKUKTRALARC-QGZVFWFLSA-N 295.342 3.844 30 20 CHED N#Cc1sc(NC(=O)c2cccc(Cl)c2)nc1Cl 813369496 LFSIORJPUACOQI-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CC(Cc1ccsc1)=NNc1cccc([N+](=O)[O-])c1 729632419 COQVFHDWRNEVAU-UHFFFAOYSA-N 275.333 3.687 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)CCC1 573449647 VSOLKXLDMQKEGC-HNNXBMFYSA-N 284.403 3.738 30 20 CHED Cc1c(C(=O)N2C[C@@H](C)C[C@H]2C)sc2ccc(C#N)cc12 578677229 NQCZQDOXXPPBIP-WDEREUQCSA-N 298.411 3.952 30 20 CHED Cc1cc(C#N)cnc1C(=O)OC[C@H](C)C1CCCCC1 815336576 FWTWRTNMUAAMBF-ZDUSSCGKSA-N 286.375 3.635 30 20 CHED COCCCC(=NOC1CCC1)c1ccc(F)cc1 812234908 BLTWUDYZFIKXQG-UHFFFAOYSA-N 265.328 3.526 30 20 CHED Cc1ccc(C2(CNC(=O)CCCC#N)CCCC2)c(C)c1 578138553 KQKOHVYBXMRGNH-UHFFFAOYSA-N 298.430 3.925 30 20 CHED C=CC(C)(C)C(=O)N(C)[C@@H]1CCCc2ccccc21 577705547 GQTROOKQSBAASE-OAHLLOKOSA-N 257.377 3.735 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc(C#N)c(C)n2)C1 488089900 PSUYYSZTCMZPCW-WMLDXEAASA-N 291.398 3.953 30 20 CHED C=CCCCCSCC(=O)NCc1ccccc1F 578307765 XNCVNSJBLQUWJG-UHFFFAOYSA-N 281.396 3.531 30 20 CHED C=C(C)CNC(=S)N[C@@H](c1ccc(F)cc1)C1CCC1 729159514 MLIADFDQYCDNQW-OAHLLOKOSA-N 292.423 3.707 30 20 CHED CC[C@@](C)(C#N)c1nc([C@@H]2CCCC(C)(C)C2)no1 576384411 ITGNBHRSJSVDKE-ABAIWWIYSA-N 261.369 3.945 30 20 CHED C=CCN(C)C(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 490039013 BUSQUHDDIZRKSQ-CQSZACIVSA-N 275.392 3.530 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)c1ccccc1 494221286 WRMBGOIQHPXILH-GOEBONIOSA-N 272.392 3.540 30 20 CHED C=CCCCC(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 577403817 TUXBDJPLNDPAOL-IRXDYDNUSA-N 283.415 3.653 30 20 CHED CCSCc1ccc(NC[C@H](C#N)CCC#N)cc1 573823238 MBNRCVATDDAHAJ-AWEZNQCLSA-N 273.405 3.795 30 20 CHED C#C[C@H](NCc1cccnc1C)c1ccc(Cl)cc1 491474166 KNYQBKAWFOGMKT-INIZCTEOSA-N 270.763 3.508 30 20 CHED C#CC[C@H](NC[C@@H](O)[C@@H](C)c1ccccc1)c1ccccc1 828688797 XMKBLJHSKZXZTM-FFZOFVMBSA-N 293.410 3.505 30 20 CHED CC(C)C#CC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 822296909 OWMOCOAUDGXDTL-INIZCTEOSA-N 275.367 3.689 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1nc(C)c(C)[nH]1)CC2 901486476 IZPSVNMLYRYOBO-ZROIWOOFSA-N 266.344 3.547 30 20 CHED C=CCn1cccc1C(=O)N(CC)c1ccc2[nH]ccc2c1 490362237 FWKSGLJVVXMVAH-UHFFFAOYSA-N 293.370 3.822 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1CCCCCC1 490250031 RIFOKMLKXPKLRD-UHFFFAOYSA-N 275.392 3.807 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(F)c(COC)c2)no1 664963904 WVMWVNMEYZHSPH-MRXNPFEDSA-N 290.338 3.876 30 20 CHED CC[C@@H](NCC[C@@H]1CCCC[C@@H]1O)c1cccc(C#N)c1 903263238 LXAQIJNQOCYTAJ-JQHSSLGASA-N 286.419 3.540 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccco1)c1ccccn1 902571672 LDMVLDDIRATUKM-AWEZNQCLSA-N 284.359 3.810 30 20 CHED C#Cc1cccc(CN[C@@H](CC)c2ccc(C)cc2O)c1 834902554 JJDUALBVPFBDMQ-SFHVURJKSA-N 279.383 3.923 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(Cl)cccc1OC 906112028 SHYZINPKLGYQQC-SNVBAGLBSA-N 267.756 3.889 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cc(Cl)cc(Cl)c1 903106032 LLHPKWXGXFBJHD-SECBINFHSA-N 269.175 3.948 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1 839268081 QPIACQPDBGSBKK-UHFFFAOYSA-N 272.270 3.641 30 20 CHED CCCCCCCCC(=O)N[C@H](C)c1nccn1CC 836947812 WILBHQLFOFUPNT-CQSZACIVSA-N 279.428 3.831 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)[C@H](C)C1CCC1 839220122 FCEDFJFNVRPKSF-SECBINFHSA-N 293.750 3.562 30 20 CHED C=CCCCCOC(=O)c1ccc(Cl)nc1Cl 837481053 NACKTDPWPKGPMO-UHFFFAOYSA-N 274.147 3.902 30 20 CHED C#CCCCC(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 839849685 YTCLGBOWZSQUKA-KBAYOESNSA-N 283.415 3.879 30 20 CHED C=CCCN(C)Cc1c(F)cccc1OC(F)(F)F 671307750 WPEGKFFXZJAABM-UHFFFAOYSA-N 277.261 3.732 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](Cc1ccccc1)C1CC1 736431224 YYWNWNKLZQHION-IZQLPPHKSA-N 295.382 3.841 30 20 CHED C=CC[C@@H](NC(=O)NC1(C)CCCCC1)c1ccncc1 734946870 LEBCRJMETPABKT-OAHLLOKOSA-N 287.407 3.721 30 20 CHED C#CCOc1cccc(NC(=O)[C@H](C)CC2CCCC2)c1 733933004 LHCVMGXYLZXXCY-CQSZACIVSA-N 285.387 3.854 30 20 CHED COc1cc(C(=O)/C=C\c2cccc(C)c2C)ccc1O 731157615 XOGOPMGQTHIFPB-CLFYSBASSA-N 282.339 3.914 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)c1cccs1)c1ccncc1 737854476 HWRMDSDQOXKWPZ-OCCSQVGLSA-N 286.400 3.680 30 20 CHED C#Cc1cccc(NC(=O)C[C@H](C)C(=O)c2ccccc2)c1 732754080 ZNWDLEGLCNRJDG-AWEZNQCLSA-N 291.350 3.516 30 20 CHED CC#CCN(C)C(=O)Cc1cc2c(ccc3ccccc32)o1 581965826 YLRUFEQVAZJZRA-UHFFFAOYSA-N 291.350 3.610 30 20 CHED COCCC(=NNc1cccc(C#N)c1)c1ccc(F)cc1 734746626 OZCBDIXJRWIDMN-UHFFFAOYSA-N 297.333 3.550 30 20 CHED C=CCN(C(=O)CCc1csc(C)n1)c1ccccc1 733095274 ZSXMPPLCWWYCFC-UHFFFAOYSA-N 286.400 3.603 30 20 CHED CC1CCC(=NN=c2cc[nH]c3ccccc23)CC1 730147388 DCHLVFPGTNSTIV-UHFFFAOYSA-N 253.349 3.635 30 20 CHED CC(CCCc1cccnc1)=NN[C@@H]1CCCC1(C)C 834976434 DVRPTCXGGZZUSF-MRXNPFEDSA-N 273.424 3.949 30 20 CHED CC(C)(C)OCCCCOC(=O)[C@@]1(C#N)CC12CCCC2 837904420 YWVQCPMROVOXFV-KRWDZBQOSA-N 293.407 3.599 30 20 CHED N#Cc1ccc(-c2ccc(C[C@H](O)C3CC3)cc2)cc1 593951754 IEOROQZVVDGYMA-SFHVURJKSA-N 263.340 3.539 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCc2ccc(C)cc21 675154865 QJIQQRLZSWFMQC-KRWDZBQOSA-N 269.388 3.867 30 20 CHED C=C(CNC(=O)N(C)Cc1ccsc1)c1ccccc1 673195761 DVLNJHIVEARORB-UHFFFAOYSA-N 286.400 3.603 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](CCc2ccccc2)C(F)F)C1 599072051 XBNHMDUDNKWNPG-OWCLPIDISA-N 292.373 3.925 30 20 CHED CC[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccc(C)cc1 596099121 RPSLLSNTSVANIX-DOTOQJQBSA-N 299.418 3.781 30 20 CHED Cc1ccc(-c2nnc(SCC3(CC#N)CC3)n2C)cc1 594883256 PSZPABZKDCBWNS-UHFFFAOYSA-N 298.415 3.577 30 20 CHED c1ccc([C@@H]2CCCCC2=NNc2cnccn2)cc1 912962131 LODVPWJCDWUGDF-AWEZNQCLSA-N 266.348 3.602 30 20 CHED CC[C@@H]1CCCCN1C(=O)CC1(C#N)CCCCC1 596624365 AIPVIRICZSKTMB-CQSZACIVSA-N 262.397 3.642 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(C(F)F)nc1 848814816 IDJQDFBLFTVNAJ-UHFFFAOYSA-N 282.290 3.506 30 20 CHED C=CCNC(=S)N[C@@H](c1cccc(C)c1)C(C)(C)C 749828445 LGJAYOBGDYNCIL-AWEZNQCLSA-N 276.449 3.732 30 20 CHED CSc1ccc(Cl)c(NC(=O)N(C)[C@@H](C)CC#N)c1 596984294 LNGSZESKCMKJRQ-VIFPVBQESA-N 297.811 3.828 30 20 CHED N#Cc1ccc(CNCC2(c3ccccc3F)CCC2)o1 593642382 HYDJRARVUULQSV-UHFFFAOYSA-N 284.334 3.502 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N[C@H](C)c1cccc(C#N)c1 590673082 ODQAYWQYYIYRII-ZYHUDNBSSA-N 298.308 3.714 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1c2ccccc2O[C@H]1C 673560993 CUQRZPILBMFYFW-XEZPLFJOSA-N 288.391 3.553 30 20 CHED CCCCCC[C@@H](C)C(=O)Nc1ccc(C#N)c(C#N)c1 741943225 NBGJVBPPZYFTPE-CYBMUJFWSA-N 283.375 3.975 30 20 CHED Oc1ccccc1/C=N\Cc1cccc(CN2CCCC2)c1 914701310 FOQFWBXYGNKXMT-ZHZULCJRSA-N 294.398 3.607 30 20 CHED CS[C@@H]1CC[C@H](/N=C/c2cc(Cl)ccc2O)C1 743042218 IAVPTAOXFWYHAF-QPVXSDEHSA-N 269.797 3.749 30 20 CHED CCc1cc(C(=O)NC[C@H](C)C#N)sc1-c1ccccc1 594287142 PTUVYTLKXLFFPG-GFCCVEGCSA-N 298.411 3.867 30 20 CHED O=C(/C=C\c1cccnc1)c1sccc1Br 915113766 UNLOIIOZKUQXGV-ARJAWSKDSA-N 294.173 3.802 30 20 CHED CCc1nnc([C@@H](C)SCCc2ccc(C#N)cc2)o1 596381207 JFQBRLUCTGYHCO-LLVKDONJSA-N 287.388 3.541 30 20 CHED Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCC[C@H](C#N)C1 840894762 SJSYLJHQDHVXDL-BQFCYCMXSA-N 299.462 3.664 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cc(C)nn2C)cc1 841486907 FXPKGILZIAVOCF-KHPPLWFESA-N 268.360 3.577 30 20 CHED C=CCCCCCCCN[C@@H](C)c1cncnc1C 848550957 ZXQRUYGSQPGJDK-AWEZNQCLSA-N 261.413 3.962 30 20 CHED O=C1/C(=C/c2ccnn2CC2CC2)CCCc2ccccc21 849240768 VWPXICGRRAAOOR-FOWTUZBSSA-N 292.382 3.896 30 20 CHED C#CCCCC(=O)N(CCOCC)c1ccc(Cl)cc1 841345660 PMFDUJVHDQRPRQ-UHFFFAOYSA-N 293.794 3.513 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1ccc2c(c1)COC2 749004521 DKLDLFRVYFFDKF-KTAJNNJTSA-N 285.730 3.661 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1c(F)cccc1F 924722074 QSNATNSYCRWVIN-WDEREUQCSA-N 266.335 3.944 30 20 CHED C#CCCCC(=O)OCCOc1cccc2ccccc12 759198160 SUFAVAHSUDQRNY-UHFFFAOYSA-N 282.339 3.565 30 20 CHED C=C[C@H](OC(=O)CC1CC(OCC)C1)c1ccccc1 851452436 SKBULWQNAYRUKY-BCLQGDPASA-N 274.360 3.662 30 20 CHED COc1cc(N[C@H]2CC[C@@H](C#N)C2)cc2ccccc12 927160135 RURSTOKMSMZRFP-OCCSQVGLSA-N 266.344 3.953 30 20 CHED c1cncc([C@@H]2CCCC(=NOCC3CCC3)C2)c1 853441244 RHNUXFLSNYHCPY-CQSZACIVSA-N 258.365 3.912 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@@H](C)c1ccco1 859812491 PZCFDDAUNDMCMZ-CYBMUJFWSA-N 283.327 3.697 30 20 CHED CCCNN=C(C)c1ccc(N2CCCCCC2)cc1 920941395 AUJGVZNSZUERBO-UHFFFAOYSA-N 273.424 3.791 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ncc(Cl)cn1 857222944 GNMCUMQAOMNUNN-SECBINFHSA-N 254.765 3.744 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccc(F)cc1F)OCC 756470593 MFTINRVDKLYQCG-NHYWBVRUSA-N 298.329 3.940 30 20 CHED C#CCN[C@H](c1ccc(OC)cc1)c1ccccc1Cl 754310024 WVCINNDBYGWCCK-QGZVFWFLSA-N 285.774 3.661 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@@H]1C 853396903 SIUFIAJBSDAMFH-WCBMZHEXSA-N 265.288 3.568 30 20 CHED C=CC[C@@H](N[C@@H](C)c1nc(C)cs1)c1ccncc1 858365485 OIWUFFYSTQISKT-GXTWGEPZSA-N 273.405 3.815 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(C(F)F)nc1 853009416 KJPIIAOTUXCDIY-XQRVVYSFSA-N 291.301 3.522 30 20 CHED C[C@@H](C#N)CNN=C1CC2(CCCCC2)Oc2ccccc21 753714091 LSLCGUXVIVSWKD-AWEZNQCLSA-N 297.402 3.625 30 20 CHED C=CCN(C(=O)C1(Cc2ccccc2)CC1)C(C)(C)C 857651204 VFRGZXNJICWSTO-UHFFFAOYSA-N 271.404 3.822 30 20 CHED CC(=NNc1nc(C(F)(F)F)cs1)c1ccoc1 755903359 FMHQXGRQSACQAU-UHFFFAOYSA-N 275.255 3.591 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(-c2ncc[nH]2)c1 931860181 UDDCBZOCKMTVJV-GFCCVEGCSA-N 269.348 3.618 30 20 CHED Cc1nc2sccn2c1C=NOCCCc1ccccc1 755944982 LOSYZXSUULVZFR-UHFFFAOYSA-N 299.399 3.688 30 20 CHED CCC(C#N)(CC)C(=O)OCCCc1ccccc1OC 860198528 XNDYVGUKRJEMGK-UHFFFAOYSA-N 289.375 3.501 30 20 CHED CCCCCCCCCC(=O)N1CCO[C@H](C)[C@@H]1C 765983430 KTHCPMNIASMPLW-LSDHHAIUSA-N 269.429 3.763 30 20 CHED COc1ccsc1C(C)=NNCCCc1ccccc1 769781135 DSPOMRZTCJDIPN-UHFFFAOYSA-N 288.416 3.703 30 20 CHED Cc1cccc(O[C@@H](C)C(=O)Oc2ccc(C#N)c(C)c2)c1 765113505 OQGSHGWOHLRBHV-AWEZNQCLSA-N 295.338 3.548 30 20 CHED CCC[C@@H](C)c1noc(Cc2ccccc2CC#N)n1 761837619 WQYSFRMULAFREQ-GFCCVEGCSA-N 269.348 3.630 30 20 CHED CC#CCCCC(=O)OCC(=O)c1c(C)cc(C)cc1C 767662508 CLFDGHPFDMBITM-UHFFFAOYSA-N 286.371 3.531 30 20 CHED C=CC[C@H]1N(C(=O)/C=C\c2cnccc2C)CCCC1(C)C 767227609 GVPMEZYXXTWYJC-XZVRFQMRSA-N 298.430 3.997 30 20 CHED C=C(Cl)CNC(=O)Nc1ccnc(-c2ccccc2)c1 767922222 FBSKDBRAPJACGX-UHFFFAOYSA-N 287.750 3.623 30 20 CHED CC#CCCCC(=O)O[C@H](CC)c1ccc(OC)cc1 767122700 UDBURSIFFYBVLY-MRXNPFEDSA-N 274.360 3.883 30 20 CHED Cc1cc(C)c(C(=O)OCCCCC(C)(C)C#N)c(N)c1 768756508 YMDVMSSYVDSFLE-UHFFFAOYSA-N 288.391 3.763 30 20 CHED CCC(CCc1ccccc1)=NN=C(C)c1cnccn1 863097308 HUCNJVZBVGNXAQ-UHFFFAOYSA-N 280.375 3.684 30 20 CHED CCCCCCCNC(=O)c1cc2ccccc2nc1O 862360738 ZLSGQIIGLDRUHT-UHFFFAOYSA-N 286.375 3.641 30 20 CHED C#C[C@H](C)N(C)CC/C=C/c1ccc(Br)cc1 769978404 XYMNMJMPEPYTIR-IYNGYCSASA-N 292.220 3.806 30 20 CHED CC(C)(C#N)CCCCOC(=O)/C=C/c1cccc(O)c1 768748103 SKQKDXAORQMDDW-CMDGGOBGSA-N 287.359 3.669 30 20 CHED CO[C@H](C)C(C)=NNc1ccc(Br)c(C)c1 763161452 FRZDKSVUCMEQND-SNVBAGLBSA-N 285.185 3.580 30 20 CHED CCn1c(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc2ccccc21 1117890456 OHNNPMZSIGZSQX-ZFWWWQNUSA-N 296.370 3.900 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCc2ccc(Cl)cc21 875902145 ZRLQHWCOXDEEDX-AWEZNQCLSA-N 278.783 3.545 30 20 CHED C=C(Cl)COC(=O)C1(c2ccc(F)cc2F)CCC1 777211704 OGWCIFIDOICTNQ-UHFFFAOYSA-N 286.705 3.682 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(F)cc1C 776190777 BNSIPDPDFUPRSJ-FNORWQNLSA-N 269.319 3.988 30 20 CHED C#CCOc1ccccc1NC(=O)NCCC1=CCCCC1 776098551 HHLSLMUEVVYZQX-UHFFFAOYSA-N 298.386 3.711 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1cc(C)nc(C)n1 773200151 GBFPDGOXYWRCJT-UHFFFAOYSA-N 288.782 3.777 30 20 CHED N#C[C@@H](OC(=O)/C=C\c1ccccc1C(F)(F)F)C1CC1 870221384 NDZSTWYTBARWGW-MEJMFZKBSA-N 295.260 3.564 30 20 CHED C=CCN(C(=O)c1cc(Cl)nc2ccccc12)C1CC1 132271944 JFTNFIGTENCZQX-UHFFFAOYSA-N 286.762 3.679 30 20 CHED Cc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)ccc1F 776383635 OMGRXCIPUABTSY-HNNXBMFYSA-N 275.323 3.763 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)Cc1ccccc1CC#N 776927450 SUJGQMCPKNVRLM-HOTGVXAUSA-N 298.430 3.628 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc2cc(O)ccc2c1 776370141 BVNFVISEHHTQDO-UHFFFAOYSA-N 283.327 3.642 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)CCCC)cc1 774585934 WTXGVEQSNFFDPA-UHFFFAOYSA-N 289.375 3.825 30 20 CHED CCOCCON=Cc1ccc(OCc2ccccc2)cc1 774423480 WEHNCGFZBHRLIH-UHFFFAOYSA-N 299.370 3.653 30 20 CHED C=CC[C@H](C(=O)Nc1ncc(CC)o1)c1ccccc1 889389001 JXIRIVHUCDDONB-AWEZNQCLSA-N 270.332 3.535 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(Cl)cc1C(F)(F)F 781208719 JTIZKMDDDIIXIP-QMMMGPOBSA-N 291.656 3.818 30 20 CHED N#CC1(COC(=O)[C@H]2C[C@@]23CCc2ccccc23)CCCC1 780530470 ZWWVPALCQHXMCX-VQIMIIECSA-N 295.382 3.518 30 20 CHED C[C@H]1CC[C@H](Nc2cc(C#N)c3ccccc3n2)C1 132733195 UFCLIIVYUMULOW-AAEUAGOBSA-N 251.333 3.707 30 20 CHED C=C(C)CCC(=O)Nc1c(F)cc(Cl)cc1F 1121088854 SAJUVUIZUNENCY-UHFFFAOYSA-N 259.683 3.913 30 20 CHED CC(C)C(CCc1ccccc1)=NOC[C@@H]1CCOC1 788033155 FZFYVRRUBZOVLY-MRXNPFEDSA-N 275.392 3.684 30 20 CHED c1ccc(C2CCC(=NNCCc3ccncc3)CC2)cc1 789094790 UFEHNBJZQGPVSK-UHFFFAOYSA-N 293.414 3.928 30 20 CHED C/C=C(\CC)C(=O)Nc1sc(C)c(CC)c1C#N 789638981 QDYMZFRWNVWPRC-BJMVGYQFSA-N 262.378 3.785 30 20 CHED Cc1cccnc1C=NOCc1ccc(C(F)(F)F)cc1 781597574 WFERBVYNORYIBO-UHFFFAOYSA-N 294.276 3.960 30 20 CHED N#Cc1csc(/C=C\C(=O)c2ccnc(Cl)c2)c1 782192638 ACARUYANSKJYET-UPHRSURJSA-N 274.732 3.564 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 890457151 RWKDRUUBBQOIDA-SFHVURJKSA-N 297.402 3.637 30 20 CHED COc1ccc(C)cc1C=NN[C@H]1CCCC1(C)C 782288669 RLLJZCLYLGJFAZ-HNNXBMFYSA-N 260.381 3.506 30 20 CHED C#CCCCNc1ccn(-c2cccc(C(F)(F)F)c2)n1 782892328 ANJCBZUCVFRXCB-UHFFFAOYSA-N 293.292 3.716 30 20 CHED C[C@H](N)c1ccc(OCCCCC2(C#N)CCC2)cc1 899586600 FZPAWKMEQDUWOR-AWEZNQCLSA-N 272.392 3.949 30 20 CHED C/C=C(/CC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 789653967 MIQSDNAURBUJTH-OQFOIZHKSA-N 282.265 3.872 30 20 CHED CC[C@@H]1CCC[C@@H](CNCc2ccc(OCC#N)cc2)C1 784534250 KLQBOHAQRNRULA-NVXWUHKLSA-N 286.419 3.895 30 20 CHED CC(C)CC[C@H]1CCCC1=NNCCc1ccncc1 789095180 ZUFXQXAIUPLXDE-MRXNPFEDSA-N 273.424 3.806 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc(OC(F)F)c1 781997683 FSEXZRYHTCYFQR-UHFFFAOYSA-N 297.301 3.775 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccccc1O 782341401 IYHSRIHDKOSCMT-FPLPWBNLSA-N 271.341 3.622 30 20 CHED C[C@@H](OC(=O)c1ccc2ncoc2c1)c1cccc(C#N)c1 783401602 NDSOCPXSJTXABM-LLVKDONJSA-N 292.294 3.617 30 20 CHED COc1ccc(CNN=C(C)C2CCC(F)(F)CC2)cc1 788714086 AYPBAVFSGJZILK-UHFFFAOYSA-N 296.361 3.986 30 20 CHED Cc1ccc(-c2ncc(CN3CCC[C@@H](C#N)C3)s2)cc1 896501651 GWWZKWMEOLRVLY-AWEZNQCLSA-N 297.427 3.854 30 20 CHED C=CCN(Cc1ccccc1)Cc1c(C)nn(CC)c1C 92261493 COZOSVISPDEIIU-UHFFFAOYSA-N 283.419 3.708 30 20 CHED C[C@H](NN=Cc1ccc(Cl)cc1F)C(C)(C)C 793112451 SEDOTTCYGHMOMX-VIFPVBQESA-N 256.752 3.837 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(C(=O)N2CCCC2)cc1 798081763 WHDSJTCVLILRDM-LSDHHAIUSA-N 286.419 3.935 30 20 CHED N#Cc1ccc(NC(=O)c2cc(C3CC3)cnc2Cl)cc1 792875750 ZYCWVTXWKZFXGH-UHFFFAOYSA-N 297.745 3.736 30 20 CHED C#CCOc1ccc([C@H](C)NCCC=C(C)C)cc1 790684422 YOPFNMUTBDQIIC-HNNXBMFYSA-N 257.377 3.706 30 20 CHED CC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)c1ccccc1 799304306 UREVEJOKUAIXQQ-QGZVFWFLSA-N 278.355 3.748 30 20 CHED C[C@@H](/N=C\c1ccc(O)c(O)c1O)c1ccccc1Cl 792569590 KKXNTZXJOHCHBO-QQWZZVHASA-N 291.734 3.637 30 20 CHED C[C@H]1C[C@H](N2CC(C)(C#N)C2)c2ccsc2S1 1206174460 NBHWIDKIPFAUQJ-ONGXEEELSA-N 264.419 3.519 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1C#N 799378800 RCDIDNCJHVEFRD-OAHLLOKOSA-N 270.376 3.517 30 20 CHED CC(C)COc1ccc(C=NNCCC(F)(F)F)cc1 794547204 FZIZICCJNTXFLU-UHFFFAOYSA-N 288.313 3.597 30 20 CHED C=CCCCCCOC(=O)c1nc2cccnc2s1 792382619 ZNYMOCJZLUDIML-UHFFFAOYSA-N 276.361 3.595 30 20 CHED C#CCCCCC(=O)Nc1nc2cc(F)c(C)cc2s1 794250397 BCJHBALUPYFNEA-UHFFFAOYSA-N 290.363 3.876 30 20 CHED CON(CC#Cc1cccc(Cl)c1)CC(C)(C)C 796472543 XMDOJCXKIHUQEN-UHFFFAOYSA-N 265.784 3.601 30 20 CHED CC(Cc1ccccc1C(F)(F)F)=NN=c1cc[nH]cc1 794858037 QSRUZSFCAYEWJQ-UHFFFAOYSA-N 293.292 3.553 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1C#N 714401294 UBFAWAAMFFLDDA-ZWNOBZJWSA-N 276.767 3.976 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1cccc(Cl)c1)C(C)C 593464493 KDLILBUVSUWJFP-ZDUSSCGKSA-N 278.783 3.627 30 20 CHED C[C@H](C#N)CN(C)C(=O)CCc1ccc(Cl)cc1Cl 68081631 NENASBARRJBIBY-SNVBAGLBSA-N 299.201 3.544 30 20 CHED CCN(CC(F)(F)C(F)F)[C@@H](C)c1ccc(C#N)cc1 733898124 XKJCBXUWQBBFAR-JTQLQIEISA-N 288.288 3.842 30 20 CHED Cc1nc(N2C[C@@H](C)C(F)(F)[C@H](C)C2)c(Cl)cc1C#N 599118432 NHSBRMAPUVIGAS-RKDXNWHRSA-N 299.752 3.643 30 20 CHED CC[C@@H]1CCC[C@H]1CNCc1ccc(C#N)cc1F 1308407310 NPCWJLXJRTZNGX-KGLIPLIRSA-N 260.356 3.613 30 20 CHED N#Cc1ccc2[nH]c(-c3cc(F)c(F)c(F)c3)nc2c1 96874468 LVUGADQNTMPWBV-UHFFFAOYSA-N 273.217 3.519 30 20 CHED Cc1cc(C)c(/C=C/CN[C@@H]2CC[C@H](C#N)C2)cc1C 1308444289 XGFDVOLISBZOGG-HRMTXBTBSA-N 268.404 3.907 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccnc(Cc2ccccc2)n1 1324395838 OJPWPESQUPHEOB-SFHVURJKSA-N 295.386 3.608 30 20 CHED C=C[C@H](COC)N[C@H]1CCc2c1ccc(Cl)c2Cl 1325619717 JPPJJRHTAXZTGT-RNCFNFMXSA-N 286.202 3.771 30 20 CHED CC(C)(C)c1ccc(NN=C[C@H]2C[C@@H]2c2ccccc2)nn1 1322999882 WJYILKIFENWDIY-HUUCEWRRSA-N 294.402 3.976 30 20 CHED Fc1ccc(CON=Cc2cccn2C2CC2)cc1 1324550449 GWLVJGJCMNXNNW-UHFFFAOYSA-N 258.296 3.513 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cnc2ccccc2c1 1322553974 ZGKLVUMBXKUZEE-UHFFFAOYSA-N 286.334 3.615 30 20 CHED N#Cc1ccc(OCCc2noc3ccccc23)c(Cl)c1 1188473727 MVPSOTKTVYCAJQ-UHFFFAOYSA-N 298.729 3.974 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2cc(C)cc(C)c2C1 1338543458 VUFPTMLPVWAVRI-UHFFFAOYSA-N 271.404 3.790 30 20 CHED Cc1cc(CN2C[C@@H](C(C)C)[C@@H]2C(C)C)ccc1C#N 1181753547 PYDUYGKLHQHQJW-ROUUACIJSA-N 270.420 3.979 30 20 CHED CCN(C(=O)c1ccc2c(c1)-c1ccccc1C2)[C@@H](C)C#N 1331281936 NFZHSUFHIZHTMO-ZDUSSCGKSA-N 290.366 3.632 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1336877826 TUYAUJOCBIPKBM-CQSZACIVSA-N 297.402 3.625 30 20 CHED C=CC[C@H](OC(=O)CCc1cc(C)on1)c1ccccc1 1263471055 QVNURLYGSHLUNZ-INIZCTEOSA-N 285.343 3.776 30 20 CHED CCCCCC[C@H](CC)C(=O)[C@@H](C#N)c1nccn1C 1342269316 USZPLGGGFLZRTB-UONOGXRCSA-N 275.396 3.593 30 20 CHED CCN(C(=O)c1ncc(C#N)cc1Cl)c1cccc(C)c1 1264438151 OTGOKQFWOKAMHS-UHFFFAOYSA-N 299.761 3.582 30 20 CHED CC(C)C1(COC(=O)C2(c3cccc(C#N)c3)CC2)CC1 1344426882 QWPOJWRLMMXLSL-UHFFFAOYSA-N 283.371 3.569 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc2ccc(C)cc2o1 1343643116 IGBSFELIJDNYIS-TZMCWYRMSA-N 259.349 3.593 30 20 CHED Cc1ccc(CSCCOc2cccc(C#N)c2)cn1 1346543069 ZNAGWNPMQBQXPA-UHFFFAOYSA-N 284.384 3.574 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1ccc(C)cc1C 1356615486 ACZBNMGTILELNE-UHFFFAOYSA-N 284.384 3.903 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1438134885 HLJSPKMNZYOWPK-STQMWFEESA-N 296.374 3.589 30 20 CHED CCC[C@H](CC(C)C)C(=O)O[C@H]1CC[C@@H](C#N)C1 1357677011 PQCZZASXIQHUAC-MCIONIFRSA-N 251.370 3.684 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C(C)=O)cs1 1514860218 VYGUFKCLLXDFHZ-CYBMUJFWSA-N 277.389 3.522 30 20 CHED C=C(CC)C(=O)N(CC)Cc1cccc(Br)c1 1518875806 UYDKDHJGDDIEPN-UHFFFAOYSA-N 296.208 3.764 30 20 CHED C=C(CC)C(=O)Nc1cc(-c2nc(C)co2)ccc1C 1519795548 NZBUYZFHINWZPK-UHFFFAOYSA-N 270.332 3.863 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CCCC#N)c1cccs1 1519367071 PGEOMSWXSOVXFN-BXUZGUMPSA-N 276.361 3.576 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)ccc2C)c(C)c1 1523696107 LJFABPYIJRHGKK-UHFFFAOYSA-N 264.328 3.736 30 20 CHED N#C[C@@H](C(=O)c1cccc2ccsc12)c1cccc(F)n1 1524727086 FLUKAQURZCTVJO-GFCCVEGCSA-N 296.326 3.925 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCC2CCCCC2)C1 1528079664 CVXNXNBQEVGICY-HUUCEWRRSA-N 263.381 3.972 30 20 CHED C=CCCOCCN[C@H](C)c1cc(C)c(C)cc1C 222444776 ALAGWVGDADVWKU-MRXNPFEDSA-N 261.409 3.855 30 20 CHED N#Cc1cc(F)ccc1NCCc1cc(F)cc(F)c1 111026879 CCNZIACNNANWSS-UHFFFAOYSA-N 276.261 3.630 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1ccsc1C#N 1538522066 PUBDCFSVPJXSQR-SNVBAGLBSA-N 264.394 3.564 30 20 CHED C[C@@H](CC=NN=C(c1ccccc1)c1ccccc1)C(=O)O 1604130649 YHICGPSFPKYZHC-AWEZNQCLSA-N 294.354 3.621 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1ccsc1C#N 1532098970 ZNOIPGNJMSWJLI-JFGNBEQYSA-N 263.362 3.601 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(F)c3occc23)c1 1543587797 ZHGQERDIVHGNME-UHFFFAOYSA-N 294.285 3.890 30 20 CHED Cc1cccc2nc(Nc3cccc(CC#N)c3)oc12 1472785315 NPBCLMBTLHBEKP-UHFFFAOYSA-N 263.300 3.946 30 20 CHED CCCCCCCCCCC(=O)N(C)C1CCNCC1 832388359 LDJOUWQRVCIZFU-UHFFFAOYSA-N 282.472 3.728 30 20 CHED CCOc1ccc(Nc2nc(C#N)c(Cl)s2)cc1F 1639315167 OUXUEGWLCVMNFZ-UHFFFAOYSA-N 297.742 3.950 30 20 CHED CO[C@H](COc1ccc(C#N)c(F)c1)c1ccc(F)cc1 1640924822 UWLGFVVKRJBVNP-MRXNPFEDSA-N 289.281 3.603 30 20 CHED N#Cc1nc(Sc2ccc3c(c2)CCO3)sc1Cl 1640009187 QQUBGWYIGYXVJD-UHFFFAOYSA-N 294.788 3.754 30 20 CHED C=C(Br)CSCC(=O)c1ccccc1 1652930807 TWYUPBHEDPFBGX-UHFFFAOYSA-N 271.179 3.511 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)Cc1cccc(C#N)c1 1583878366 SWUWVRLEFQUJKQ-ROUUACIJSA-N 298.430 3.823 30 20 CHED CC(=O)[C@@H](Sc1ccc(C#N)cc1)c1ccccc1 1656233098 TZXKUIAHIQNRPF-MRXNPFEDSA-N 267.353 3.981 30 20 CHED Cc1csc(CNc2snc(Cl)c2C#N)c1 1655493589 PTWHEBBAPPBHST-UHFFFAOYSA-N 269.782 3.650 30 20 CHED CCCC[C@@H](C(=O)N1CCc2cc(C#N)ccc21)C(C)C 1597102626 JWZWBYJFQIABKZ-MRXNPFEDSA-N 284.403 3.910 30 20 CHED C[C@H](NC(=O)Nc1cccc(CC#N)c1)c1ccsc1 1670084848 URYRBLRVPGJQDH-NSHDSACASA-N 285.372 3.697 30 20 CHED CC(C[C@H]1C=CCC1)=NNc1ccc(C(=O)O)c(F)c1 1776076510 RZQJBFTUTCHXDC-NSHDSACASA-N 276.311 3.668 30 20 CHED O=C(O)c1cccc(C=NNc2cccc(F)c2Cl)c1 1776093552 XNLSHCGYVMSRIC-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CC[C@@H](C)CON=Cc1csc2ccc(C(=O)O)cc12 1776112376 RDYGKWSCMCSZNR-SNVBAGLBSA-N 291.372 3.996 30 20 CHED CC(C)C[C@H]1CCC1=NNc1ccc(C(=O)O)c(F)c1 1776077298 HIRRJVRPGYXXDX-SNVBAGLBSA-N 278.327 3.748 30 20 CHED N#Cc1ccccc1COC(=O)c1cc(Cl)c(Cl)[nH]1 11810477 LIUZEYLDGBKVPW-UHFFFAOYSA-N 295.125 3.550 30 20 CHED N#Cc1c(Br)cccc1N1C[C@@H]2CCC[C@H]2C1 168581518 LMNLGZCAJYKIKB-QWRGUYRKSA-N 291.192 3.557 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)Cc2ccccc2F)c1 151600332 KZIJYMBQYARBPZ-ZDUSSCGKSA-N 281.330 3.624 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 155109378 GSSTZLGHUTVBBZ-HNNXBMFYSA-N 272.392 3.501 30 20 CHED C#Cc1cccc(NCc2ccc([C@H]3C[C@@H]3C)o2)c1 19876851 UMGNEKZQBXAOPA-LRDDRELGSA-N 251.329 3.996 30 20 CHED N#Cc1cccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)c1 126447333 VLSPQUJDEKGCMM-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CC1(C)CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 162657557 MOBLIAVDOSBWQU-SNVBAGLBSA-N 283.297 3.963 30 20 CHED C=C(C)CN(CCCn1ccnc1C)Cc1ccccc1 348232664 JLFHIYQVJUAABI-UHFFFAOYSA-N 283.419 3.660 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)nc1 51953163 DMBCLQDJKXOZMV-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1cnc(NCC2(C(F)(F)F)CCC2)c(Cl)c1 343980720 UHTKUORSTILZSR-UHFFFAOYSA-N 289.688 3.751 30 20 CHED CCc1ccc(CN(C)Cc2cccc(C#N)c2)s1 61948109 QYAJDVQRSMKFRW-UHFFFAOYSA-N 270.401 3.814 30 20 CHED Cc1ccc(NC(=O)Nc2ccc(C#N)c(F)c2)cc1 308071455 BQRKURLNFSNAGL-UHFFFAOYSA-N 269.279 3.650 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)c(Cl)c1 308112869 KXWWKLQPUGOLMR-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC[C@H]1CN(Cc2ccc(C#N)cc2Cl)[C@H](CC)CO1 403895011 SMBYNBKDCHSLDK-CABCVRRESA-N 292.810 3.601 30 20 CHED CC1(C)CC[C@H]1Nc1nc2ccccc2cc1C#N 311938847 HNRCPSMOODQUES-CQSZACIVSA-N 251.333 3.707 30 20 CHED C=CCC[C@H](CO)NCc1cc(-c2ccccc2)cs1 320294149 QWNUHYYELYYVRY-MRXNPFEDSA-N 287.428 3.832 30 20 CHED C=CCN(Cc1ccccc1)Cc1nc(C)sc1C 443676394 VXIHHYYALUFNDC-UHFFFAOYSA-N 272.417 3.948 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 708498072 XGWSVNILFKCPRE-OAHLLOKOSA-N 274.383 3.955 30 20 CHED N#Cc1ccc(NCc2nc3c(s2)CCCC3)c(F)c1 719539075 BFVAHMLKUMDPEO-UHFFFAOYSA-N 287.363 3.645 30 20 CHED C=CC[C@H](CC)Nc1ccc([N+](=O)[O-])c(OCC)c1 393820881 KKGZMEUWVMRTER-NSHDSACASA-N 264.325 3.760 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1ccc(CC#N)cc1 399134470 PTOXRJIBWUQTOA-ZDUSSCGKSA-N 282.412 3.933 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H](O)c1ccccc1F 791566622 BHVXZFIKNGKPKT-IBGZPJMESA-N 299.389 3.937 30 20 CHED C[C@H]1C[C@@H](C)CCN(Cc2ccc(F)c(C#N)c2)C1 443640167 MNACYAUGROEOKR-STQMWFEESA-N 260.356 3.565 30 20 CHED C=CCSc1nnc(-c2ccccc2Br)o1 6820095 XDHGKGCTMZSKKW-UHFFFAOYSA-N 297.177 3.777 30 20 CHED C[C@@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccc(C#N)cc1 102903973 XIKSTZYVWZNZON-DYVFJYSZSA-N 297.402 3.593 30 20 CHED N#Cc1cccc(NC(=O)N2CCCc3ccccc3C2)c1 106509284 RGBYUDACTJBXAY-UHFFFAOYSA-N 291.354 3.539 30 20 CHED CC[C@H](CC(=O)[C@H](C#N)c1ccccn1)c1ccccc1 103638085 HWNYRWYVSKDFCH-GDBMZVCRSA-N 278.355 3.842 30 20 CHED COc1cccc(CCCN(CCC#N)Cc2ccco2)c1 176290327 CUDHANICDZCZEC-UHFFFAOYSA-N 298.386 3.637 30 20 CHED CCOC(=O)CCCCCSCc1cccc(C#N)c1 117943769 KRSDDDJJZHXSOH-UHFFFAOYSA-N 291.416 3.915 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](c2ccn[nH]2)C1 170676359 TZKBWLDRCVPKNX-HNNXBMFYSA-N 291.439 3.866 30 20 CHED Cc1cc(C)c(C#N)c(SCc2nc(C)c(C)s2)n1 173319011 QQSKMEDWLDHDNQ-UHFFFAOYSA-N 289.429 3.936 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F 178794060 OMQORRZHQAHCSP-CVEARBPZSA-N 292.423 3.851 30 20 CHED C[C@H](CC(=O)Oc1ccc(C#N)cc1)c1cccc(F)c1 115970309 UETBVMRIFMHYGR-GFCCVEGCSA-N 283.302 3.797 30 20 CHED C[C@H](CCc1cccc(F)c1)C(=O)OCC1(CC#N)CC1 174743666 ZGBJXTXGZZVZFC-CYBMUJFWSA-N 289.350 3.631 30 20 CHED N#CCCCOC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 173535139 QRPVDCBIKCHWBL-QWHCGFSZSA-N 298.169 3.944 30 20 CHED C[C@@H](C(=O)N(C)C1(C#N)CCC1)c1ccc2ccccc2c1 177616155 KVCMAQDIJKPHSN-CQSZACIVSA-N 292.382 3.848 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 68824637 OEGVDJUNDIGVRQ-PXAZEXFGSA-N 292.338 3.945 30 20 CHED C=CCCCNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 303807858 HXEGUDHHPPPJPD-HZPDHXFCSA-N 288.435 3.674 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)c1cc(C)cc(C)c1 303846837 DZFBUXIQYXRHAN-UHFFFAOYSA-N 297.329 3.707 30 20 CHED CSc1ccc(OC(=O)c2cccc(C#N)c2C)cc1 1343468577 DGEXGEKYZPUKTG-UHFFFAOYSA-N 283.352 3.808 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)c1ccco1 69605488 UWVKOENZLXOCNS-GFCCVEGCSA-N 283.331 3.685 30 20 CHED C[C@H](OC(=O)c1ccsc1)c1ccc(C#N)cc1 175753906 WJRKMTOBJGUVFP-JTQLQIEISA-N 257.314 3.538 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 24717858 BGLODSWXJHSLFX-VQHVLOKHSA-N 297.310 3.808 30 20 CHED C=CC[C@H](C)NC(=O)CCCOc1ccc(C)c(C)c1 174247208 NRUJOKXZXLGRDR-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccccc2Cl)C1 116810522 FLKSQBRNGRJNQX-XHDPSFHLSA-N 276.767 3.542 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCC1CC1 115901601 DGNUSVCASXENAB-AWEZNQCLSA-N 294.354 3.558 30 20 CHED Cc1cc(C(=O)OCC2(CC#N)CC2)c(C)n1C(C)C 174752756 OPEUUHSZBTZPFQ-UHFFFAOYSA-N 274.364 3.537 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2C[C@H]3OCCC[C@H]23)c1 302556882 LPPAWXAXJJSLNW-MPKXVKKWSA-N 296.292 3.556 30 20 CHED COc1ccccc1C[C@H](Nc1cccc(C#N)n1)C(C)C 301871768 WYWUDBVDKYXUPO-INIZCTEOSA-N 295.386 3.641 30 20 CHED C=CCCOCCNC(=O)Nc1cccc(SCC)c1 179040675 UAYBSVNRFPXWGP-UHFFFAOYSA-N 294.420 3.513 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1nccnc1C#N)CCC2 301901037 ZUACGZHPJQUAKI-MRXNPFEDSA-N 292.386 3.961 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2F)[C@H]2CCCC[C@@H]12 302191895 RIKMZHQOSIBQKY-ZLDLUXBVSA-N 258.340 3.712 30 20 CHED CC(C)C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N 301261451 FJWLKZFERFMIBW-GFCCVEGCSA-N 297.324 3.987 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC1CCCC1 36926881 BJNXSOSGAVFUEA-UHFFFAOYSA-N 254.255 3.932 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccsc1 75299316 NZPYHNORLZUCKD-HZPDHXFCSA-N 296.395 3.660 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@]1(C)C(C)C 185860801 IIURBTPRDNPKAC-DYVFJYSZSA-N 286.375 3.578 30 20 CHED Cc1cccc(OCc2ccccc2C(C)(C)C#N)n1 181800189 NLCIBGMICYZXQU-UHFFFAOYSA-N 266.344 3.770 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(Cl)c(F)c1 181587073 XBOUIURABLPPBP-UHFFFAOYSA-N 256.708 3.519 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc(F)cc1 184767908 KJCQKSQMZRVTBN-QPJJXVBHSA-N 262.305 3.792 30 20 CHED C=CCCC(=O)Nc1ccc(Br)cc1OCC 129217586 HNEYRWZGZBLMOC-UHFFFAOYSA-N 298.180 3.753 30 20 CHED C=CC[C@@H](C)N[C@H]1CCc2c(Br)cccc21 126069167 XUULOFFUOFKNQJ-YGRLFVJLSA-N 280.209 3.991 30 20 CHED CC[C@]1(C)CCCN(Cc2cc(C#N)ccc2OC)C1 437574884 DMTWKAIYNPFARD-QGZVFWFLSA-N 272.392 3.579 30 20 CHED C=CC[C@@H]1N(Cc2cnc(CC)nc2)CCCC1(C)C 414450539 XVZGMEMVHXUTBG-HNNXBMFYSA-N 273.424 3.606 30 20 CHED C#C[C@H](C)OC(=O)c1cncc(-c2ccc(Cl)cc2)c1 125931026 UWNBUUGTXMNNHB-NSHDSACASA-N 285.730 3.581 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@@H](C)CCC)c1 78483468 SZDCDFAQOOQTRT-AWEZNQCLSA-N 257.377 3.847 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C 183159664 QLDDUIVAYUTVDQ-MRXNPFEDSA-N 292.398 3.610 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](OCCC)CC1 181120813 MJXHWJRWBOPTLF-JKSUJKDBSA-N 296.455 3.722 30 20 CHED C=CCOc1ccc(CNC(=O)NC(C)(C)CCC)cc1 509351357 RCPIGGFWUVFIMY-UHFFFAOYSA-N 290.407 3.629 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2SCCc3ccccc32)c1 79403570 PECKPHAWOPPLGH-QGZVFWFLSA-N 293.391 3.637 30 20 CHED CCCC1(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 134193555 AWPLLZOQKOBISO-INIZCTEOSA-N 299.418 3.911 30 20 CHED C=C(C)COc1cccc(NC(=O)CCC(F)(F)F)c1 79956544 WJMOOQVGYVJZED-UHFFFAOYSA-N 287.281 3.923 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccccc2C)n1 77940515 PQWIKJZRBSYIKM-RRFJBIMHSA-N 296.395 3.740 30 20 CHED N#CCSCCCSc1nc2ccccc2o1 75075384 WFLPOGKOIDCABI-UHFFFAOYSA-N 264.375 3.567 30 20 CHED C=CCOc1cccc(CNc2nnc(CCCC)o2)c1 181657582 MUQSXYGJZMUYBR-UHFFFAOYSA-N 287.363 3.589 30 20 CHED Cc1ccc(F)cc1CSc1nnc(C)c(C)c1C#N 188178788 ZAZGPTFAMFOILX-UHFFFAOYSA-N 287.363 3.705 30 20 CHED N#CCCSCC#Cc1ccc(OC(F)(F)F)cc1 413013252 NQKWBRDMXJTQAN-UHFFFAOYSA-N 285.290 3.584 30 20 CHED CC(=O)c1ccc(NCc2cc(C#N)ccc2F)cc1C 135073632 JVGOXSRDCLPKOZ-UHFFFAOYSA-N 282.318 3.821 30 20 CHED Cc1cc(C)c2c(c1)c(C)cc1nnc(SCCC#N)n12 49864472 CYPWYVSOHBLCDP-UHFFFAOYSA-N 296.399 3.814 30 20 CHED Cc1cccc2c1CCN2Cc1ccc(C#N)cc1F 49492209 UHCVTFSPBUBJIU-UHFFFAOYSA-N 266.319 3.569 30 20 CHED Cc1csc(N=C(O)[C@H]2CCC(=O)C[C@H]2C)c1C#N 329496773 DXCOUTNQZYCKDB-KCJUWKMLSA-N 276.361 3.522 30 20 CHED Cc1ccccc1-c1noc(-c2cccc(CC#N)c2)n1 505040112 RIIGSMXAGYPGJF-UHFFFAOYSA-N 275.311 3.778 30 20 CHED CCN(CCC(C)(C)C#N)c1ccc(F)c(F)c1 131835337 WJAUVVFFKXSFKE-UHFFFAOYSA-N 252.308 3.731 30 20 CHED Cc1ccc([N+](=O)[O-])c(NCC2CCC(C#N)CC2)c1 517214432 CTBLVHOVFTUJRE-UHFFFAOYSA-N 273.336 3.645 30 20 CHED COc1cccc(OC)c1SCc1cccc(C#N)c1 191259661 USXGHHPXGFEAFK-UHFFFAOYSA-N 285.368 3.868 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1ccc(Cl)s1 193757638 GFQUASYVJJSQLF-UHFFFAOYSA-N 298.839 3.923 30 20 CHED COc1cc(-c2ccccc2)ccc1CN(C)C[C@@H](C)C#N 512749534 MQBCUSQHMSGFTG-HNNXBMFYSA-N 294.398 3.954 30 20 CHED CCCN(CC#N)Cc1cc(Cl)ccc1Cl 87759878 IWOJAVXHAXPSAG-UHFFFAOYSA-N 257.164 3.729 30 20 CHED C#CCSCCN[C@@H]1CCSc2ccc(Cl)cc21 222116555 XOBFNVKXSPTTQC-CYBMUJFWSA-N 297.876 3.833 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(C#N)cc1Cl 225782996 FGVCIYLBNYFACY-VIFPVBQESA-N 250.729 3.586 30 20 CHED CCSc1ccc([C@@H](C)NC(=O)[C@@](C)(C#N)CC)cc1 511176780 YXPPABYWLGLOSK-MLGOLLRUSA-N 290.432 3.916 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2ccccc2)C1 333327003 BZRWEZHVTVRJHE-USXIJHARSA-N 297.402 3.615 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C#N)s1 425364432 GLXHWAWDTNHTPB-LBPRGKRZSA-N 281.384 3.684 30 20 CHED N#Cc1cccc(C#N)c1NC[C@H]1CCCC(F)(F)C1 336923583 JIFGEDIYSMZASI-NSHDSACASA-N 275.302 3.667 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCCOc1ccc(C)cc1 190708457 VQOHGPUKIJOFAB-GOSISDBHSA-N 289.419 3.873 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 424974075 CHBOFVHNMREHOZ-HRCADAONSA-N 276.424 3.791 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1cnn(-c2ccccc2)c1 194587089 WZSGDGPKSURYAN-ZHACJKMWSA-N 299.333 3.640 30 20 CHED C#CCCCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 192092947 WHRXLMKAILGWRN-HNNXBMFYSA-N 271.404 3.663 30 20 CHED C=CCN(CCC#N)[C@@H](CC)c1ccc(F)cc1F 428858881 GEOAUISIPFJLQN-HNNXBMFYSA-N 264.319 3.818 30 20 CHED Cc1cc(F)ccc1NC(=O)[C@H](C)c1cccc(C#N)c1 336562271 MRNDLVJDHBBSGH-GFCCVEGCSA-N 282.318 3.748 30 20 CHED CC(C)c1ncc(N=C(O)c2cccc3c2CCC3)cn1 330060360 MNKCMJJTXMVCAT-UHFFFAOYSA-N 281.359 3.725 30 20 CHED Cc1csc(-c2cccc(NC(=O)C(C)(C)C#N)c2)n1 334222624 YSJKUIHESJCATR-UHFFFAOYSA-N 285.372 3.607 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2ccccc2C)C1 424650181 YKHUBFCSCHNRHT-HNNXBMFYSA-N 271.404 3.913 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[C@@H](SCC)C1 424704717 XGNQKYFMBREAEH-QWHCGFSZSA-N 269.454 3.721 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](C)C[C@H](C)C1 338806308 XPSBKQJENXIUIH-KBPBESRZSA-N 288.439 3.604 30 20 CHED Cc1occc1/C(O)=N/Cc1nc(C(C)(C)C)cs1 330624933 SGSQBODCVUYTDJ-UHFFFAOYSA-N 278.377 3.847 30 20 CHED CC(C)c1ocnc1CN[C@H](C)c1ccc(C#N)cc1 1325217663 NLQZNODLAYVEQJ-GFCCVEGCSA-N 269.348 3.520 30 20 CHED Cc1ccc2c(c1)CN([C@H](C)c1ccc(C#N)cc1)CCO2 512252917 NFAIQHHGRCSIJB-OAHLLOKOSA-N 292.382 3.822 30 20 CHED C[C@@H]1SCC[C@H]1Nc1cc(Cl)ccc1C#N 235377756 OLTHGJMUXPJVHF-GZMMTYOYSA-N 252.770 3.518 30 20 CHED C/C=C/CSCc1ccc(C#N)cc1OC(F)F 439541862 ODLRXJHZDRIFDR-NSCUHMNNSA-N 269.316 3.969 30 20 CHED C[C@@H](c1ncc(C(C)(C)C)o1)N(C)CC(C)(C)C#N 433294770 AUCOXMXETMWXDK-NSHDSACASA-N 263.385 3.515 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CCCCC1 247971415 DFHOOIVOTSQOOD-UHFFFAOYSA-N 284.403 3.876 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)CC(C)(C)O2 439457291 QIMNHKRFQZVCBA-ZDUSSCGKSA-N 288.391 3.876 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@@H](OCCCC)C1(C)C 436304142 GCSUZNWHLVUTBE-VQHPVUNQSA-N 295.467 3.541 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 341941474 BKDANURSFSISOS-UHFFFAOYSA-N 269.348 3.722 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)c1cccc2cccnc12 340219341 XEWXDCIRCWJJRT-UHFFFAOYSA-N 291.329 3.882 30 20 CHED Cc1cccnc1[C@@H](NC[C@H](C)CCC#N)C(C)C 602547742 NPWBDVKNPDNONB-HIFRSBDPSA-N 259.397 3.617 30 20 CHED Cc1cc(NCC#Cc2ccc(F)cc2)ccc1F 433488529 VKNQIMMBDFKRQY-UHFFFAOYSA-N 257.283 3.737 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCC(F)(F)C2)n1 340776749 OZZJJZKMDZAVCP-SECBINFHSA-N 256.296 3.826 30 20 CHED C=CCN(CC[C@H]1CCOC1)Cc1ccc(Cl)s1 437584890 UQVPOCSODWOCCX-LBPRGKRZSA-N 285.840 3.816 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)cc1 609116913 MGFUMOGPBGOEMM-HOCLYGCPSA-N 270.376 3.647 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1cccc(CC#N)c1 603737754 QFUAKDBLUFGANF-UHFFFAOYSA-N 292.382 3.723 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(SC(C)C)cc1 523669595 MKDXEULKGMHIHU-HNNXBMFYSA-N 276.405 3.609 30 20 CHED CCC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1NCC 346885774 BGMQYHVIXWTHPW-GFCCVEGCSA-N 273.380 3.755 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cncc2ccccc12 343494146 QHJHYTQUMBYEOU-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED N#Cc1cccc(C(=O)N[C@H](c2cccs2)C2CC2)c1 344257174 XDBFUOKACDJSLB-HNNXBMFYSA-N 282.368 3.501 30 20 CHED Cc1ccc(C(=O)N(C)C2(C#N)CCC2)c(Cl)c1Cl 448788802 ZGNQYZRBEIYBDF-UHFFFAOYSA-N 297.185 3.820 30 20 CHED CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)C(F)F 348144079 LJEZNPJRGWJBAQ-UHFFFAOYSA-N 296.317 3.599 30 20 CHED N#Cc1cccc(CSCCC(F)(F)F)c1F 340860735 KHXGAVUBDMPQJE-UHFFFAOYSA-N 263.259 3.883 30 20 CHED CO[C@@H](c1ccccc1)[C@@H](C)Nc1cccc(CC#N)c1 602683332 XIKFDAUPJUMRDE-RDTXWAMCSA-N 280.371 3.941 30 20 CHED C=C(C)CCNCc1cc(Cl)c(OC)c(OCC)c1 449470570 AZBMROBNXJGYCA-UHFFFAOYSA-N 283.799 3.803 30 20 CHED CC(C)(C#N)CNC(=O)N[C@H]1CCC(C)(C)c2ccccc21 352432886 VJCBCTVYIASCKZ-HNNXBMFYSA-N 299.418 3.648 30 20 CHED CC(C)c1ccc(C(=O)NCc2ccc(C#N)cc2)s1 354468286 MRDLTJYHWIIDQS-UHFFFAOYSA-N 284.384 3.673 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](CC)C1CCC(C)CC1 359409824 GMRKGXGVSBXBEA-UYSNPLJNSA-N 276.424 3.767 30 20 CHED N#CCC1(CN[C@H](c2ccc(F)cc2)C2CCC2)CC1 602791357 FXZSDQURWSMOFZ-INIZCTEOSA-N 272.367 3.950 30 20 CHED C=C(C)CN(CC)C(=O)c1cn(CC(C)C)nc1C(F)F 448685022 SBSKGXSIIZEFMC-UHFFFAOYSA-N 299.365 3.515 30 20 CHED Cc1cc(CNCC2(Cc3ccccc3)CC2)ccc1C#N 443998624 VXQYUWIKLVMJKP-UHFFFAOYSA-N 290.410 3.979 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 448747065 DLYWOEMWTQZPKH-BQFCYCMXSA-N 299.414 3.646 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(CC)c1)OCC 535147115 KYVOCKZNLAZGTK-OAHLLOKOSA-N 261.365 3.559 30 20 CHED CC(C)=CCS[C@H](C)C(=O)Nc1cccc(C#N)c1 446134227 CVUCFXBIBYUPFM-GFCCVEGCSA-N 274.389 3.585 30 20 CHED CC(C)[C@@H]1CN(c2ncccc2C#N)c2ccccc21 447680902 TWLCPRXJHFGMHT-HNNXBMFYSA-N 263.344 3.845 30 20 CHED C=CC[C@H](C)NC(=O)NC1CCC(c2ccccc2)CC1 604900832 PGEHQPVEWDMVJD-OOHWJJMZSA-N 286.419 3.977 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 448660308 ZYBCUQXVLKTECG-AEFFLSMTSA-N 296.414 3.876 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC 539428437 JLMOIOKQBIEFKL-DOTOQJQBSA-N 288.435 3.540 30 20 CHED N#Cc1cc2c(nc1N1CCCC3(CCC3)C1)CCCC2 359740629 AOHYTFHQLDZKJT-UHFFFAOYSA-N 281.403 3.603 30 20 CHED N#Cc1ccc(CNCC2(c3cccc(F)c3)CC2)c(F)c1 532566604 FVWDTZGCXDZDRE-UHFFFAOYSA-N 298.336 3.658 30 20 CHED C=CCC[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C1CC1 358257531 UPQKIQCBONPDTQ-ROOHIHILSA-N 291.460 3.819 30 20 CHED CCOC(=O)c1cccc(NCc2ccc(C#N)c(C)c2)c1 446823620 OGZCZQYFQIKJNC-UHFFFAOYSA-N 294.354 3.656 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1 617789995 ZOADPILUJQLRGG-VGWMRTNUSA-N 261.409 3.627 30 20 CHED Cc1cccnc1C(C)(C)CNCC(C)(C)CCC#N 353149348 HYIZEHHBVZXJJM-UHFFFAOYSA-N 273.424 3.587 30 20 CHED C=CCN(Cc1cccnc1C(F)(F)F)C(C)(C)C 625538806 LMYSZBMHSQJLBG-UHFFFAOYSA-N 272.314 3.887 30 20 CHED C=CCN(Cc1cccs1)C[C@H]1CCC(C)(C)O1 359856290 UVZSEJZKCXMUPF-CYBMUJFWSA-N 265.422 3.694 30 20 CHED Cc1oc2ccccc2c1CN(CCC#N)C(C)C 535795571 GPHXSFVOPJZIIN-UHFFFAOYSA-N 256.349 3.865 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1nnc(C2CC2)s1 610431116 ZPSIRJSXFARYRJ-GFCCVEGCSA-N 287.413 3.642 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)Cc1coc2ccccc12 449244498 SYIYOPALBIVGAK-JSGCOSHPSA-N 256.349 3.646 30 20 CHED C[C@@H]1CCN(Cc2ccc(F)cc2C#N)CC12CCC2 357020945 GVMDTZGZNDQGBI-CYBMUJFWSA-N 272.367 3.709 30 20 CHED CC[C@@H](NCC1(CN(C)C)CCCC1)c1ccc(C#N)cc1 447603308 XMARCFXJNRXVDE-GOSISDBHSA-N 299.462 3.721 30 20 CHED Cc1ccc([C@H](C)N(C)c2cccc(C#N)n2)c(C)c1 531385754 USLHBEXSFKYHOW-AWEZNQCLSA-N 265.360 3.768 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(C)c1)OCC 535127027 SSXPVBVMFHPAAE-OAHLLOKOSA-N 261.365 3.613 30 20 CHED N#Cc1ccc(CNCc2ccccc2C2CC2)c(F)c1 610574719 BHXHISBESJPSKZ-UHFFFAOYSA-N 280.346 3.865 30 20 CHED CC[C@@H](C)CN(C)C(=O)c1c(Cl)cc(C#N)cc1Cl 611094404 IYDUPVJZTKYXOQ-SECBINFHSA-N 299.201 3.983 30 20 CHED C=C(C)CCNC(=O)[C@@H](CC)Sc1ccccc1 452724313 QOCAQEYYXGDTSB-CQSZACIVSA-N 263.406 3.640 30 20 CHED C=CC1CCN(Cc2ccc(OC)c(OCCC)c2)CC1 538729474 SEYXSBKCDDIQNQ-UHFFFAOYSA-N 289.419 3.882 30 20 CHED C=CCCc1noc(-c2cccc(OCC(F)(F)F)c2)n1 453228257 GIIVYUNUZZIPRC-UHFFFAOYSA-N 298.264 3.796 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](CCC)c1ccsc1 453346006 GLJWSZRSNVAZJG-MJBXVCDLSA-N 251.395 3.522 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCCC1(F)F 452140114 PSMHCKWVKBKPOD-LLVKDONJSA-N 259.340 3.530 30 20 CHED N#Cc1cccnc1NC1(Cc2ccccc2)CCC1 362675438 SBQZHQQKLORBLL-UHFFFAOYSA-N 263.344 3.531 30 20 CHED N#C[C@@]1(F)CCN(Cc2c(Cl)oc3ccccc23)C1 615652198 YUDNFYWKUBVZNF-AWEZNQCLSA-N 278.714 3.524 30 20 CHED C=C(C)CCNC(=O)NCc1ccc2cc(OC)ccc2c1 454213374 WVPLMLIHHYEIGP-UHFFFAOYSA-N 298.386 3.614 30 20 CHED C=CCCC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 264471742 SUKTYRKUFQVZAO-LBPRGKRZSA-N 286.400 3.954 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1cc2ccccc2o1 610777613 YZPVJMWFJXMORY-UHFFFAOYSA-N 298.386 3.954 30 20 CHED COc1ccc(C#N)cc1NC(=O)CCCCC(C)C 457506975 JIXXQABAGCEEHD-UHFFFAOYSA-N 274.364 3.722 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(C)C)nc1CC 451680844 KZAOPAXEHWEGBN-MSOLQXFVSA-N 288.435 3.591 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@@H](C)[C@@H](C)C1 362830186 ZPGQGHDDXSCAMF-BETUJISGSA-N 275.417 3.693 30 20 CHED C[C@H](CCc1ccccc1)N1CCC[C@](C)(C#N)C1 612164768 IQISBZUUDYIARC-NVXWUHKLSA-N 256.393 3.633 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1scnc1C(C)C 456445016 XMXLTDMODZESRH-UHFFFAOYSA-N 285.372 3.699 30 20 CHED COC(C)(C)C[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 271975732 VKOHFEJSPVVDGC-NWDGAFQWSA-N 278.371 3.552 30 20 CHED Cc1ccnc(N[C@H]2CCO[C@H](c3ccccc3)C2)c1C#N 274170412 MQYXEXVHBIHLRY-RDJZCZTQSA-N 293.370 3.594 30 20 CHED CC(=O)Nc1cccc2c1CCCN2CC(C)(C)CCC#N 272589636 ZZFDZWUPVDRILP-UHFFFAOYSA-N 299.418 3.728 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2cnn(CC)c2)CCCC1(C)C 278357510 WTXKJGNIAULDFN-AWEZNQCLSA-N 290.411 3.502 30 20 CHED C=CCN(CC=C)C(=O)C1(CCOCc2ccccc2)CC1 361448079 AUYMSGTUGLOODC-UHFFFAOYSA-N 299.414 3.574 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)cc1 270286878 NUKVCGJGBCXNLN-QGZVFWFLSA-N 282.387 3.547 30 20 CHED C=CC(C)(C)CNC(=O)N(CCC)Cc1ccccc1 455360682 CQXRNLYDBDEBGV-UHFFFAOYSA-N 274.408 3.820 30 20 CHED CCOCc1cccc(Nc2snc(C)c2C#N)c1 360961789 UMJMDNQMIVHOSC-UHFFFAOYSA-N 273.361 3.603 30 20 CHED Cc1ccc(C)c(OCCCN(CCC#N)CC2CC2)c1 361446435 SKJISFVBTCVOSK-UHFFFAOYSA-N 286.419 3.698 30 20 CHED C=CCC[C@H](N[C@H](C)c1ccncn1)c1ccccc1 453184068 ZHVDXLOLHZTODQ-PBHICJAKSA-N 267.376 3.835 30 20 CHED C[C@H](C#N)CN(C)Cc1nc(C2CCCCC2)cs1 277870534 YNPUQTGLIRGURP-GFCCVEGCSA-N 277.437 3.782 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1cccc(C2CC2)c1 454832783 HSZMCBBNDZNGLV-LBPRGKRZSA-N 258.365 3.500 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 278911705 KSKXQJJUSKQHRP-FUHWJXTLSA-N 283.415 3.893 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)c1ccccc1 273055977 RUAPREYHGMPRTJ-HNNXBMFYSA-N 283.371 3.640 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](CC)CC1 540566870 SPJLHXATKQHZNZ-CABCVRRESA-N 266.429 3.953 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1F 469775175 KESMTBJBQQEINR-CABCVRRESA-N 292.423 3.851 30 20 CHED C=CCCCCNC(=O)c1ccc2nc(C(F)F)[nH]c2c1 546017969 CTZKYSGYVWSTQM-UHFFFAOYSA-N 293.317 3.587 30 20 CHED C=CCC1(NCc2nc(-c3ccccn3)no2)CCCCC1 625937048 JCLRPLJUECSEBW-UHFFFAOYSA-N 298.390 3.500 30 20 CHED C=CCCCc1nc(C[C@@H](C)c2ccccc2)no1 547175863 ZJDOXKIDRSAOHV-CYBMUJFWSA-N 256.349 3.925 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@](C)(CCC)C1 466406969 VVWNGPKXEXVREO-ZBFHGGJFSA-N 266.429 3.953 30 20 CHED C=CCN(C(=O)c1ncccc1C(F)(F)F)C(C)(C)C 622945166 VLEUAFRAPXIVGK-UHFFFAOYSA-N 286.297 3.527 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CCc2ccccc2C1 461878523 TXNIRITXCZQWHL-INIZCTEOSA-N 278.355 3.536 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 374238307 HFNSVJBXQKUKIK-XHDPSFHLSA-N 294.345 3.776 30 20 CHED N#Cc1cc(=N[C@H](Cc2ccccc2)c2ccccc2)cc[nH]1 557476875 GCQFFLDEROBUGE-HXUWFJFHSA-N 299.377 3.771 30 20 CHED C[C@H](Cc1ccccc1C(F)(F)F)NCCCCC#N 280443822 CWPMLTGUEJXUKE-GFCCVEGCSA-N 284.325 3.920 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2c(Cl)cccc2Cl)CC1 469004573 REGZNCFJCBDMFF-SECBINFHSA-N 284.186 3.716 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 286541881 QULINNORXHQJTP-QANKJYHBSA-N 297.402 3.554 30 20 CHED C=CCCCCCCCCNC(=O)NCc1ncoc1C 286695679 LEICBZIFHQNVIB-UHFFFAOYSA-N 293.411 3.699 30 20 CHED CCC(CC)c1noc(-c2ccccc2OCC#N)n1 289204273 RVIXFCCSGZLPSS-UHFFFAOYSA-N 271.320 3.543 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CCN(C)[C@H](C)C2)c1 638248165 XQXWFVOGGSQCKB-GDBMZVCRSA-N 274.408 3.536 30 20 CHED Cc1ccc(OCCCC2(C#N)CCOCC2)cc1F 281182067 AYQUJDLJXPQXPB-UHFFFAOYSA-N 277.339 3.614 30 20 CHED CC1(C#N)CCC(N[C@H]2CCc3ccc(F)cc32)CC1 556152095 LITNZIOWQRLQOB-WIHSUSGWSA-N 272.367 3.875 30 20 CHED C[C@@H](Cc1ccccc1F)NC1(c2cccc(C#N)c2)CC1 551813963 ZBTDCXRZBPCBNC-AWEZNQCLSA-N 294.373 3.907 30 20 CHED CC(C)(C)c1nc(COC(=O)C2(C#N)CCCC2)cs1 298433027 XAWGAOQDYFRHCX-UHFFFAOYSA-N 292.404 3.568 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1ncccc1O 554853832 DUGNUIWHHWBVAC-UHFFFAOYSA-N 294.807 3.690 30 20 CHED COc1ccc(OC)c(C=NOCCSC(C)(C)C)c1 802727433 JABGCOVZMXZRQN-UHFFFAOYSA-N 297.420 3.586 30 20 CHED C=CCCCCNC(=O)Nc1cccc(OCC)c1 473663751 KTVOOTKLKSDTOJ-UHFFFAOYSA-N 262.353 3.563 30 20 CHED C#CCN(C)C(=O)Nc1ccccc1Oc1ccc(C)cc1 801608712 YDWSENVAZBNRCB-UHFFFAOYSA-N 294.354 3.884 30 20 CHED C[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(C#N)cc1 297175789 KCYWASMSNFTDHM-FZKQIMNGSA-N 294.354 3.637 30 20 CHED CCOc1ccc(/C=N/[C@H](C2CC2)C(F)(F)F)c(O)c1 806552353 RTBZGAUMBNVWQE-NACCWKTGSA-N 287.281 3.551 30 20 CHED C=CCC[C@H](CC)NCC1(C)CCC(OC)CC1 475216962 QMCKZZHVUNLYNB-FHERZECASA-N 253.430 3.916 30 20 CHED C=CCC1(C(=O)N(C)Cc2nc3ccccc3[nH]2)CCCC1 564288189 ANINLRGPYFVVBI-UHFFFAOYSA-N 297.402 3.658 30 20 CHED CC#CC(=O)Nc1ccc(C)c(OCC2CCCCC2)c1 801161069 ZKRJRULHOSLOJD-UHFFFAOYSA-N 285.387 3.916 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 294827398 QUJMUMJFJYHOKW-CABCVRRESA-N 261.409 3.792 30 20 CHED C=C[C@](C)(CC)c1nc(C2(COC)CCCCC2)no1 290112252 MKTFUKZMJJOJTM-OAHLLOKOSA-N 278.396 3.772 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cnc2cc(C)nn2c1C 293653194 HYOFOUVIHGPQPF-ZDUSSCGKSA-N 286.423 3.599 30 20 CHED C=C(CC)CNC(=O)NC1(c2ccccc2Cl)CC1 645532671 DUBZBUBUCLETEW-UHFFFAOYSA-N 278.783 3.595 30 20 CHED Cc1cc(C)c([C@H](C)OC(=O)c2cccc(C#N)n2)c(C)c1 810552403 RYDMREIHIDBQSJ-AWEZNQCLSA-N 294.354 3.797 30 20 CHED C=CCCCCOC(=O)c1c(C)c2ccccc2oc1=O 811009201 SWUOOOUWKRGENH-UHFFFAOYSA-N 286.327 3.615 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 811517204 KYTAPRDQVVSPEE-WQVCFCJDSA-N 272.779 3.686 30 20 CHED C=CCC(C)(C)CNC[C@H](O)c1ccc(F)cc1Cl 819331182 MHIIPYKMKRCTRM-AWEZNQCLSA-N 285.790 3.704 30 20 CHED C=C1CCN(C(=O)c2ccc(C(F)F)cc2F)CC1 654733340 SVLJCLCEVOSKMR-UHFFFAOYSA-N 269.266 3.556 30 20 CHED C#CCCCCN[C@H](Cc1ccncc1)c1cccs1 818333803 GXKYBOQVQYHZRA-MRXNPFEDSA-N 284.428 3.820 30 20 CHED C=C(C)CCNC(=O)N(CCC)Cc1ccc(OC)cc1 653055784 VYXIKHIGDSZEIW-UHFFFAOYSA-N 290.407 3.583 30 20 CHED COCc1ccccc1/C=C(/C)C=NOC1CCC1 814229069 QIOVVXAUWBTCHP-XCXUWOPLSA-N 259.349 3.791 30 20 CHED CCOc1ccc(NN=Cc2ncc(CC)s2)cc1 814984708 GCSYMNKANHZKCW-UHFFFAOYSA-N 275.377 3.550 30 20 CHED C[C@@H](NN=C1CC(c2cccc(F)c2)C1)c1ccncc1 819816870 QVUDDPQGRQFYCH-KEKZHRQWSA-N 283.350 3.805 30 20 CHED O=C1c2ccccc2CN1N=CCC1CCCCC1 814902095 DXOIIWUJGUCSLS-UHFFFAOYSA-N 256.349 3.599 30 20 CHED CCC[C@H](C)CC(=O)N[C@H](C#N)c1ccc(CC)cc1 575903843 CWGSDNPKDDRGQG-XJKSGUPXSA-N 272.392 3.756 30 20 CHED C#CCCOC(=O)c1oc2ccccc2c1COC(C)C 727042693 PIQQWPLYVRMALD-UHFFFAOYSA-N 286.327 3.538 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2cc(F)ccc21 494368398 MEECPGCRUUVOPB-ZBFHGGJFSA-N 288.366 3.563 30 20 CHED C#CCCCOC(=O)C1(c2ccccc2F)CCCC1 727041089 XYNGZIVJTNAQPF-UHFFFAOYSA-N 274.335 3.594 30 20 CHED C#CCN(C(=O)N[C@H](CC)c1ccncc1)C1CCCCC1 490697129 IXQLLANHWGOCBQ-QGZVFWFLSA-N 299.418 3.510 30 20 CHED CCC(=NNCCCOc1ccccc1)c1cccs1 729150410 VGHTXQZEAQPKNO-UHFFFAOYSA-N 288.416 3.921 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)NC1(C#N)CCSCC1 576875717 HZWKLGQFWGIBMK-CQSZACIVSA-N 294.464 3.665 30 20 CHED C=CCC[C@H](Nc1ccc(C)nn1)c1ccccc1 663734104 QFIYKSCDAUACEK-HNNXBMFYSA-N 253.349 3.904 30 20 CHED Oc1ccc(/C=N\CCCCCc2ccccc2)c(O)c1O 727653668 VOODOIFDLKBOQM-UYRXBGFRSA-N 299.370 3.635 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccccc2O)CCCC1 827952376 PXSZUWVLKMUWMH-CYBMUJFWSA-N 273.376 3.706 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCC(F)(F)C1 490040729 QWMHDWUQLCBFIF-LLVKDONJSA-N 259.340 3.530 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCc2c(C)cccc21 583140268 WSMIGWBAWRVMQO-HNNXBMFYSA-N 257.377 3.701 30 20 CHED CCn1cncc1/C=C1/CCc2ccc(SC)cc2C1=O 901522557 HOYJKHAJPMMNBZ-JYRVWZFOSA-N 298.411 3.837 30 20 CHED C=CC[C@H](NCc1cc(C)ccc1NC)c1ccncc1 902244259 GHMIFLCTLNZUSV-SFHVURJKSA-N 281.403 3.839 30 20 CHED C=C1CCN(C(=O)Cc2nc(-c3ccccc3)cs2)CC1 668304597 RDCZDMPQSUXRRO-UHFFFAOYSA-N 298.411 3.531 30 20 CHED C[C@@H](CSc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 492439500 VSKFXMNTDIBHBM-NSHDSACASA-N 292.404 3.564 30 20 CHED CC(C)OCc1noc(CSCCCC(C)(C)C#N)n1 901829273 RNLHYSNZIVAUAG-UHFFFAOYSA-N 297.424 3.558 30 20 CHED CC(=NOCc1cc(C(=O)O)co1)c1cc2ccccc2o1 736125364 HWHALEHFXOFJSY-UHFFFAOYSA-N 299.282 3.665 30 20 CHED CC[C@@H](NCc1nc2c(s1)CCC2)c1ccc(C#N)cc1 903191345 UFKUDOKQJQTXRO-CQSZACIVSA-N 297.427 3.744 30 20 CHED C=CC[C@@H](NC(=O)CSCCC(C)C)c1ccncc1 734234315 LEHLTQHNDVWFRL-OAHLLOKOSA-N 292.448 3.594 30 20 CHED C=CCCCCNC(=O)N1CCOc2ccccc2[C@H]1C 661033486 IHUFLJVZEDGKBH-CQSZACIVSA-N 288.391 3.508 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C2CCC2)C1 665736919 DJZHNAUKPNTIIT-UKRRQHHQSA-N 264.413 3.563 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cncs2)cc1C 735793197 TYCVDPRMHHNWCB-SNAWJCMRSA-N 257.358 3.964 30 20 CHED Fc1cc(F)c(NN=C/C=C\c2ccco2)cc1F 734302073 YLSYISNORXLYLO-MHVYKCHPSA-N 266.222 3.808 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(C2CC2)n1 839057683 NDHBTQNIECIVIP-GXTWGEPZSA-N 284.359 3.507 30 20 CHED Cc1ccc(CON=Cc2c(Cl)nc3ccccn23)cc1 736611434 YORDVYGDMOECIT-UHFFFAOYSA-N 299.761 3.847 30 20 CHED CC(C)c1ocnc1C(=O)O[C@@H](C)c1cccc(C#N)c1 732502075 MBHVEGRIHGUKLG-NSHDSACASA-N 284.315 3.588 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 837586846 CPJDDKWGVBKMSS-GOEBONIOSA-N 287.378 3.628 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H](F)C1 583259714 MSQUQTZHUVRIFO-LLVKDONJSA-N 289.741 3.698 30 20 CHED N#Cc1c(Cl)nsc1NCCc1cccc(F)c1F 732804855 GMJSZUMFFMWAFU-UHFFFAOYSA-N 299.733 3.601 30 20 CHED COc1ccc([C@H](NC(=O)C#CC(C)(C)C)C(C)C)cc1 837323423 MHZWLQQWKARABH-QGZVFWFLSA-N 287.403 3.558 30 20 CHED COc1ccc([C@H](NCC2(C#N)CCC2)C2CC2)c(F)c1 903034676 AMOOISJRVXCIGT-MRXNPFEDSA-N 288.366 3.569 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc(F)cc1 739424930 MQFGJYPRQXVXBX-WEVVVXLNSA-N 285.274 3.938 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(SC(F)(F)F)nc2)C1 839191465 YAZKKFUKSJCPFK-RKDXNWHRSA-N 287.310 3.798 30 20 CHED CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1cccc(C#N)c1 902889332 HHNQLZQWJDQUKB-SWLSCSKDSA-N 297.406 3.602 30 20 CHED C[C@@H](C(=O)OCCCCC(C)(C)C#N)C1CCC1 838389112 QRXXOOUFWQLSDD-GFCCVEGCSA-N 251.370 3.686 30 20 CHED C#Cc1cccc(NC(=S)NC2C[C@H](C)C[C@@H](C)C2)c1 739461344 XJAZJARTFAAYKF-CHWSQXEVSA-N 286.444 3.779 30 20 CHED C=CCCCCCN(C)C[C@H](O)c1cccc(F)c1 739931123 QKDFGRJAMDTFKU-INIZCTEOSA-N 265.372 3.537 30 20 CHED Cc1cccc(Cl)c1NN=C1C[C@@H](C)n2ccnc21 835012234 YZUYDHFLXBFCIJ-SNVBAGLBSA-N 274.755 3.626 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\Cc2ccc(Cl)s2)c1 914557901 OHHFEXIRDOIAFB-NSIKDUERSA-N 296.735 3.634 30 20 CHED CC(C)(CCC#N)CNCc1ncccc1C(F)(F)F 588930496 YVRPBFYKQDGGPW-UHFFFAOYSA-N 285.313 3.520 30 20 CHED CCC(=NNc1ccc(C(=O)O)c(F)c1)C1CCC1 835009349 QZBHGNOHCRPFQO-UHFFFAOYSA-N 264.300 3.502 30 20 CHED C=CCN(C(=O)N[C@@H](C)Cc1ccccc1Cl)C(C)C 918080580 STOHZUKLNDCOKS-ZDUSSCGKSA-N 294.826 3.877 30 20 CHED C#CCN(C(=O)[C@H](C)CC1CCCC1)C1CCCCC1 733926867 DYBCGJGBTYFLAF-OAHLLOKOSA-N 275.436 3.997 30 20 CHED COc1cccc(NN=Cc2ccc(OC(C)C)cc2)c1 915955897 MZVNZXCSNGGOKP-UHFFFAOYSA-N 284.359 3.928 30 20 CHED CCCOc1ccc(CNCC(C)(C)CC#N)c(C)c1 594945590 FZCHYBMXEXLAIN-UHFFFAOYSA-N 274.408 3.813 30 20 CHED N#C[C@@]1(C(=O)Nc2cc(F)cc(Cl)c2)CC12CCCC2 590987213 QCYNVLXIAFNGJU-OAHLLOKOSA-N 292.741 3.892 30 20 CHED C=CCN(C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(C)C 915153050 BBKCGFSOXJXSER-YESZJQIVSA-N 295.467 3.887 30 20 CHED C=CCCCC(=O)O[C@H](C)CCCc1cccnc1 835929652 KBAWSMYQCBRPPZ-CQSZACIVSA-N 261.365 3.692 30 20 CHED N#Cc1cncnc1Nc1ccc(NC2CCCCC2)cc1 591906644 WLWODZPMCSJLRZ-UHFFFAOYSA-N 293.374 3.836 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCCc3ccc(Cl)cc32)C1 591659812 UYZYNKQYKZBEIQ-PEYYIBSZSA-N 274.795 3.999 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)OCC(=O)c1cccc(C#N)c1 748257716 JKCSCOFSCQRBOA-UKRRQHHQSA-N 299.370 3.501 30 20 CHED CCc1ccc(-c2ccc(C(=O)O[C@H](C)C#N)o2)cc1 745595524 UWWDJULQVDXLDG-LLVKDONJSA-N 269.300 3.578 30 20 CHED CCCOc1ccc(CN[C@@H](CC)CC#N)c(C)c1 597085706 HSFJARZXOCBAKA-HNNXBMFYSA-N 260.381 3.566 30 20 CHED CC(=NOCc1cccnc1)c1ccc2c(c1)CCCC2 746575893 DZMYOGPYXJVGEZ-UHFFFAOYSA-N 280.371 3.901 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1c[nH]cc1C1CC1 910468982 YEDDCNVCJSKZBB-INIZCTEOSA-N 294.398 3.809 30 20 CHED CC(C)(C#N)CC(=O)OCCSc1ccc(F)cc1F 849763688 IWYIIYIQORHSMZ-UHFFFAOYSA-N 299.342 3.540 30 20 CHED Fc1cc(NN=Cc2ccsc2)cc(F)c1F 747642457 PETVZKZAMAEMHK-UHFFFAOYSA-N 256.252 3.611 30 20 CHED CC(C)(C)c1ccc(-c2ccc(C(=O)NCC#N)cc2)cc1 592987088 OZOUJCKGLWICSL-UHFFFAOYSA-N 292.382 3.904 30 20 CHED C=C(C)COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 917332676 BTTGAEKQPMAXDB-UHFFFAOYSA-N 299.248 3.799 30 20 CHED C=CCN(C(=O)NCCc1c[nH]c2c(C)cccc12)C(C)C 745841788 RYYWDBINCJSUQK-UHFFFAOYSA-N 299.418 3.625 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@@H](C)C[C@@H](C)C2)n1 747763471 GJWKEEUOONFASA-DTORHVGOSA-N 266.776 3.662 30 20 CHED CC1=CC(=NNC(=S)Nc2cc(C)ccc2F)CC1 745005891 MJQOCVZZJUJSGA-UHFFFAOYSA-N 277.368 3.517 30 20 CHED CCC(C#N)(CC)C(=O)NCC1(c2ccccc2)CCC1 598991082 HBTRYQYBKAXTLI-UHFFFAOYSA-N 284.403 3.554 30 20 CHED C=C(C)CNC(=S)N(CC)[C@@H](CC)c1ccccc1 745688495 OTRLMFMVZLYKLN-HNNXBMFYSA-N 276.449 3.910 30 20 CHED CCCC(=NNc1nc(-c2ccncc2)no1)[C@@H]1CC1(C)C 841625041 RPOMJZBIANUPDA-LBPRGKRZSA-N 299.378 3.746 30 20 CHED C=CC1CCN(c2ccc3cc(OC)ccc3n2)CC1 599941286 DWQYESNTOMUVQE-UHFFFAOYSA-N 268.360 3.646 30 20 CHED CCOc1ccc(CNc2ccc(C#N)cc2C)cc1OC 846748410 PBUDLEUIDVFOOM-UHFFFAOYSA-N 296.370 3.886 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@H](C3CCCCC3)C2)C1 595881907 XNVOIIFNPHTOPZ-PVAVHDDUSA-N 260.425 3.971 30 20 CHED C=CCOc1ccc(OC(=O)c2cccc(N(C)C)c2)cc1 744376668 RQRYQWOJWMBWPG-UHFFFAOYSA-N 297.354 3.537 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cnn(CC)c2)c(C)c1 849245387 INMDENIZYWNKEF-CLFYSBASSA-N 284.359 3.506 30 20 CHED CC[C@H](Cc1cccc(-c2csc(C#N)c2)c1)C(=O)O 594871981 LRCNTOMQQSTFDU-GFCCVEGCSA-N 285.368 3.940 30 20 CHED CCCc1ccc(CCCC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 592639572 VMNPOBKVROFHTP-ZWKOTPCHSA-N 298.430 3.770 30 20 CHED Cc1cc(NN=Cc2ccc(Cl)cc2Cl)nc(C)n1 915970814 NSJHFAVDJINIAY-UHFFFAOYSA-N 295.173 3.846 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H]1CCCc2cccnc21 845645123 MMBRSKGZPVPECE-CYBMUJFWSA-N 259.349 3.605 30 20 CHED N#Cc1cnnc(Nc2ccc(NC3CCCCC3)cc2)c1 596110552 OYZBPXJJOYRMHB-UHFFFAOYSA-N 293.374 3.836 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1cccc2ccncc12 842772685 QZXTXHXDSGYYBX-SFHVURJKSA-N 299.370 3.620 30 20 CHED Cc1c(F)ccc2c1N(C(=O)CCCCCC#N)CCC2 591008161 NRKLCJWCCYQFPQ-UHFFFAOYSA-N 288.366 3.887 30 20 CHED CC1(C)C[C@@]1(C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 597498476 IJLVPQNJRXXQKM-OALUTQOASA-N 296.414 3.507 30 20 CHED C=CCCCCCCNC(=N)Nc1cccc(OC)c1 849027969 YIKJAQZVOFKSPD-UHFFFAOYSA-N 275.396 3.768 30 20 CHED C=CCCCON=Cc1ccc(Br)cc1 740873061 ZYFFSKJNQTVYQJ-UHFFFAOYSA-N 268.154 3.766 30 20 CHED C[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 745349564 WOCDQHJUGGLTCK-VSYUYLJXSA-N 284.142 3.552 30 20 CHED CCCCCCCCNC(=N)NC[C@H]1CCC(F)(F)C1 849097764 ZLXITOWIRVQJDW-ZDUSSCGKSA-N 289.414 3.896 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@](C)(F)CCCC)C1 855436739 JXYKRYKMVIJUIU-HIFRSBDPSA-N 255.377 3.720 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1(c2cccc(F)c2)CC1 925878921 OJXHERIKXBLQLR-LBPRGKRZSA-N 260.356 3.733 30 20 CHED CC(=NNc1ccc(F)cc1C)c1nc2ccccc2n1C 750938205 DMHWFHBOOTYGMX-UHFFFAOYSA-N 296.349 3.857 30 20 CHED N#Cc1cc(COC(=O)/C=C/c2ccsc2)ccc1F 758924600 XWITXIHJJHZZIO-DUXPYHPUSA-N 287.315 3.515 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H](C)c1ccccc1F 929932529 CVBVJGIPBQFZBK-QWHCGFSZSA-N 263.356 3.947 30 20 CHED C#C[C@@H](CC)NC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 753242740 IWZQYMMFAVUYGY-INIZCTEOSA-N 286.419 3.537 30 20 CHED C=CCCC(CC)=NNC(=S)Nc1cccc(OC)c1 750919641 NELPKRHSTNYCJT-UHFFFAOYSA-N 291.420 3.714 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(Cl)nc2)cnc1Cl 759083640 OPNNNLIMDMRIPL-DUXPYHPUSA-N 293.153 3.988 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(Br)cc1 751525912 HOCOJZNNDNVOLT-NSHDSACASA-N 297.196 3.664 30 20 CHED C=C(Cl)CN(C)[C@H](CO)c1cccc(Cl)c1Cl 852511219 ACAOHXXPVVFXDL-LLVKDONJSA-N 294.609 3.711 30 20 CHED CC1(CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CC1 759488582 VNLWLXBKILHEMA-JTQLQIEISA-N 288.347 3.802 30 20 CHED Cc1ccnc(NN=C2CCN(C3CCCCC3)CC2)c1 755903262 OWEBSYBDIBFQJH-UHFFFAOYSA-N 286.423 3.586 30 20 CHED CCCCCCCCNC(=O)c1cccc(COC)c1 754854470 OOUPJUDZGISHCZ-UHFFFAOYSA-N 277.408 3.923 30 20 CHED CCOc1cc(C)ccc1C/N=C\c1cccc(OC)c1O 756776660 YFENSDVSCPJXRR-UNOMPAQXSA-N 299.370 3.727 30 20 CHED Cc1ccc(-c2csc(CN3CCC[C@H](C#N)C3)n2)cc1 932154629 LXDXPUTYMYBAPY-CQSZACIVSA-N 297.427 3.854 30 20 CHED C#CC[C@H](NC(=O)c1cscc1C)c1ccccc1 757600465 YWQHHFKNSHEFLG-HNNXBMFYSA-N 269.369 3.551 30 20 CHED COc1cc(C)c(/C=C\C(=O)c2ccc(O)cc2)cc1OC 751513123 ODPWCSRNARCLQG-TWGQIWQCSA-N 298.338 3.614 30 20 CHED C/C(=C\C(=O)N[C@](C)(C#N)C(C)(C)C)c1cccs1 857602462 IGIMPMJECRJPOK-SLZMIMFISA-N 276.405 3.596 30 20 CHED C=CCCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 757106337 FNQNTPLLPOPNQU-GJZGRUSLSA-N 296.455 3.578 30 20 CHED CC[C@H](CC#N)Nc1nc(C(F)(F)F)nc2ccccc12 762816358 POCMDKWEXOXXOQ-SECBINFHSA-N 294.280 3.753 30 20 CHED FC(F)(F)CNN=C1CCSc2c(Cl)cccc21 769808291 LTRDETSNQDBWEE-UHFFFAOYSA-N 294.729 3.692 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)CCO2 763098921 ACAUEDMYYBLVFZ-JLHYYAGUSA-N 298.313 3.883 30 20 CHED C=CCCC(=O)COC(=O)C[C@@H](C)C1CCCCC1 761397561 KMEWPBVEYATFFX-CYBMUJFWSA-N 266.381 3.671 30 20 CHED Cc1c(C(=O)OCC2(C#N)CCC2)oc2ccc(F)cc12 768095891 DSYMBZRHRGUVMW-UHFFFAOYSA-N 287.290 3.731 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C(C)(C)C)oc2ccc(F)cc12 765634013 NWGGGVXBQPJNJG-ZDUSSCGKSA-N 289.306 3.975 30 20 CHED COc1cccc(NN=Cc2ncccc2C(F)(F)F)c1 765562994 HQGBJAYRWWAFEM-UHFFFAOYSA-N 295.264 3.555 30 20 CHED CCON=C1CCCOc2c(C)cc(Cl)cc21 768481851 FXNXEOREJWSQHD-UHFFFAOYSA-N 253.729 3.562 30 20 CHED CCC(Cc1cccs1)=NNCc1ccc(C#N)cc1 769821520 YRWYRWYUVMPWTK-UHFFFAOYSA-N 283.400 3.718 30 20 CHED C#C[C@@H](CC)OC(=O)c1sc(-c2ccccc2C)nc1C 774482948 MTLIZTYAZRPIKF-ZDUSSCGKSA-N 299.395 3.996 30 20 CHED C#CCCCCCC(=O)Nc1nnc(C(CC)CC)s1 779725985 DYTFKUUIEJLEIL-UHFFFAOYSA-N 293.436 3.964 30 20 CHED CCc1ccc(C=NOCc2ccc3c(c2)COC3)cc1 778022533 FAFQVCCRXZCPOA-UHFFFAOYSA-N 281.355 3.830 30 20 CHED Cc1cc(NC[C@@H](C)CCC#N)cnc1Br 877196075 SRKKTYPNOIPQEQ-VIFPVBQESA-N 282.185 3.504 30 20 CHED C=CCCCC(=O)OCc1cccc2ncccc12 873367269 ZJLAWNOUDQYRQQ-UHFFFAOYSA-N 255.317 3.634 30 20 CHED Cc1cccc(C)c1/C=C1/C(=O)Nc2cc(C#N)ccc21 773160518 MOJNIGCZGDTDGJ-CXUHLZMHSA-N 274.323 3.668 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(F)cc1 777907300 QPWMFQVGPVFUSK-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CC1(C)CCC[C@H]1C(=O)OCc1ccc(F)cc1C#N 772603367 SEDIURABECNODU-AWEZNQCLSA-N 275.323 3.567 30 20 CHED C=CCn1cnnc1SC[C@@H]1CCCc2ccccc21 1116010570 BLMIGPNUXOWPQB-AWEZNQCLSA-N 285.416 3.676 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C)c2cnccc2C)cc1 771390927 YWTXSBGYLFOTPT-HZPDHXFCSA-N 294.398 3.814 30 20 CHED C#C[C@@H](C)NC(=O)c1cccc(-c2ccccc2OCC)c1 775382702 XDZONJYJKCJUAV-CQSZACIVSA-N 293.366 3.504 30 20 CHED C#CCCCOC(=O)[C@H](C)CCCc1ccccc1 775925744 MZSGCGMUMVUGET-OAHLLOKOSA-N 258.361 3.602 30 20 CHED C#CCNC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 771099958 HYKADGJQVAWGMT-OAHLLOKOSA-N 290.794 3.504 30 20 CHED Cc1cccc([C@H](C)C(=O)OCc2ccc(CC#N)cc2)c1 776112756 ASEDAQLDPGZLNH-HNNXBMFYSA-N 293.366 3.908 30 20 CHED C[C@@H](NCCCOc1ccccc1F)c1ccc(C#N)cc1 776153960 LLPAKZJRNFEPTA-CQSZACIVSA-N 298.361 3.817 30 20 CHED Clc1ccc(NN=CC2([C@H]3CCCCO3)CCC2)cn1 872353758 OOKZLXLCBGMUSQ-CYBMUJFWSA-N 293.798 3.872 30 20 CHED C=C(C)CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 777654219 MZBCMIZTNMMXSJ-UHFFFAOYSA-N 297.402 3.633 30 20 CHED C#CCCCCC(=O)OCc1cc(-c2ccc(C)cc2)no1 773632376 LYCWXGDCWVWCTG-UHFFFAOYSA-N 297.354 3.887 30 20 CHED N#Cc1cccc(COC(=O)[C@H]2CCCc3sccc32)c1 771416828 YOBWQBDOKXAHAH-HNNXBMFYSA-N 297.379 3.783 30 20 CHED COc1ccc(C#N)cc1COC(=O)C1=CCCCCC1 775058227 VZNPXSSOEGICRM-UHFFFAOYSA-N 285.343 3.501 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1csc(C#N)c1 1129864055 MVAMFKGDWWBZQB-OLZOCXBDSA-N 290.432 3.956 30 20 CHED COc1cccc(NN=C(C)c2cccc(F)c2F)c1 776258957 BUNTZPJSGVOASG-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C#CCCCOC(=O)CCCCC(=O)c1ccc(F)cc1 778571502 MKTLOOSZYRRXSU-UHFFFAOYSA-N 290.334 3.525 30 20 CHED Cc1ccc(C=NN[C@@H](Cc2ccccc2)C(C)C)cn1 777449522 WUOKGFZHBGAZGG-SFHVURJKSA-N 281.403 3.581 30 20 CHED CC(C)[C@@H](C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887704643 NAIINZYYCUOXGB-CQSZACIVSA-N 284.403 3.556 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)Nc2cc(C#N)ccc2F)C1 888359903 RZJZRFODATYAAD-RYUDHWBXSA-N 289.354 3.740 30 20 CHED C#Cc1cccc(N(C)C(=O)CCCCCCC(C)=O)c1 771652406 LGFZLHNGHCJBSG-UHFFFAOYSA-N 285.387 3.560 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](F)C(C)C 784024802 UINZAPRMBSVQMX-LBPRGKRZSA-N 299.729 3.510 30 20 CHED CCCC(CCc1ccccc1)=NN[C@@H]1CCCOC1 780259144 ZVHOGKZHEGXFFA-QGZVFWFLSA-N 274.408 3.544 30 20 CHED C#CCCN(C[C@@H](C)c1ccc(F)cc1)CC(F)(F)F 783677161 UXNYKWFOLMTERS-GFCCVEGCSA-N 287.300 3.817 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)CCCCC 786838505 QMLFXIULGPNLCE-UONOGXRCSA-N 252.402 3.705 30 20 CHED CCS[C@@H](C(=O)OCc1ccc(C#N)cc1F)C(C)C 785819589 JOMZSMRVNDSCPV-CQSZACIVSA-N 295.379 3.518 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)n(C)n1 789159645 OZARUBFYYUOVLH-VOTSOKGWSA-N 294.276 3.643 30 20 CHED CC(C)C(C)(C)C(=O)OCCCOc1ccc(C#N)cc1 784330231 FIODDDMHIFSYCO-UHFFFAOYSA-N 289.375 3.553 30 20 CHED C#CCC1(c2nc(CCCCF)no2)CCCCC1 897205090 GNMXCQBHBYUPTA-UHFFFAOYSA-N 264.344 3.587 30 20 CHED CC(C)[C@H](F)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 784018664 XIFLNSGLKRWETI-RNCFNFMXSA-N 294.395 3.677 30 20 CHED CN(C(=O)CCCCCC#N)c1nsc2ccccc12 892727644 CGNACXQSISBDAP-UHFFFAOYSA-N 287.388 3.733 30 20 CHED N#CCCCCCC(=O)Oc1ccc2cnccc2c1 893834194 ACTKPYZDAVPLCR-UHFFFAOYSA-N 268.316 3.614 30 20 CHED CC(C)Oc1ccc(N[C@H]2CCc3cccnc32)cc1C#N 894425611 ZDLINOWYVXPNLD-INIZCTEOSA-N 293.370 3.840 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc2c(c1)CCC2 781133975 MCKAEZGPQVEWDU-UHFFFAOYSA-N 269.323 3.546 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2cccs2)nc1C 781149801 FCJIETFAMINRNK-NSHDSACASA-N 286.356 3.578 30 20 CHED CCS[C@H](C(=O)OCc1ccc(C#N)cc1F)C(C)C 785819587 JOMZSMRVNDSCPV-AWEZNQCLSA-N 295.379 3.518 30 20 CHED N#CC1(CCS(=O)(=O)Cc2ccsc2)CCCCC1 899979937 LPDJPKUPEOBXLS-UHFFFAOYSA-N 297.445 3.527 30 20 CHED C=C(C)CCNC(=O)N1Cc2ccccc2[C@H]1CC 895146702 INAMZOQCFUOFBS-OAHLLOKOSA-N 258.365 3.629 30 20 CHED C=C1CC(c2noc([C@@H]3SCCc4ccccc43)n2)C1 896883384 HDEKCTUKRPILBK-CQSZACIVSA-N 284.384 3.882 30 20 CHED Oc1nc2ccccc2cc1C=Nc1cccc2c1CCO2 794833637 OQNMEVGWZNGVID-UHFFFAOYSA-N 290.322 3.626 30 20 CHED COc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1Br 799722470 HWUGZLKDPBCINX-VHSXEESVSA-N 295.180 3.562 30 20 CHED C#C[C@@H](C)N[C@H](CC)c1ccc(Br)cc1 166491088 GSKOCFYMGUNRDO-ZWNOBZJWSA-N 266.182 3.512 30 20 CHED C=CCC[C@H](C)N[C@H](CCC)[C@@H](O)c1ccccc1 793239044 QJIKOOVSAMVUNA-UAGQMJEPSA-N 261.409 3.833 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)cc2OC)ccc1O 797278813 RCCDFQGUVCDZAL-YVMONPNESA-N 298.338 3.614 30 20 CHED N#Cc1ccc(CNN=Cc2ccc(C(F)F)cc2)cc1 794523715 RTWAVQVGBVGDJZ-UHFFFAOYSA-N 285.297 3.620 30 20 CHED CC(C)[C@H]1CCCC(=NNc2nc(O)c3ccccc3n2)C1 794517636 RBLRGHQFRFXUPK-LBPRGKRZSA-N 298.390 3.950 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cccnc2Cl)c(O)c1 799896755 YNIRAOWICVYFBQ-WAYWQWQTSA-N 287.746 3.954 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc(SC)ccc1Cl 704362678 HJTYBRFQQZBYFS-JTQLQIEISA-N 281.808 3.594 30 20 CHED C=CCN(Cc1csc(C2CC2)n1)C(C)(C)C 661756997 APXRMKFQVRVUEQ-UHFFFAOYSA-N 250.411 3.807 30 20 CHED CCN(CCC#N)C(=O)c1sccc1-c1ccccc1 133285947 GYNBSKBUSBBFFU-UHFFFAOYSA-N 284.384 3.791 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2cc(C#N)ccc2C)c1 1201424228 JAFIHNCDNYGUEL-UHFFFAOYSA-N 293.370 3.805 30 20 CHED CC(=NNCc1ccc(Cl)cc1Cl)c1cnoc1C 799476154 XRPGHFPBBNAMTP-UHFFFAOYSA-N 298.173 3.804 30 20 CHED CCC[C@H](C)OC(=O)C[C@H](CC#N)c1ccccc1 795983137 URCLJXSUPBJBFI-ZFWWWQNUSA-N 259.349 3.806 30 20 CHED C=CCN(CCC#N)Cn1ccc(=S)c2ccccc21 793559952 IHKQMWUEXACCRB-UHFFFAOYSA-N 283.400 3.730 30 20 CHED CC(C)C[C@@H](C)COC(=O)c1cccc(CC#N)c1 798596462 FQPIFQRAYPZFCU-CYBMUJFWSA-N 259.349 3.592 30 20 CHED FCC[C@@H]1CCCC1=NNc1cnc2ccccc2n1 794901720 HGIQERYSPYPQPX-NSHDSACASA-N 272.327 3.557 30 20 CHED CCc1cccc2c1OC/C(=C/c1cnn(C(C)C)c1)C2=O 794727291 HKHMIVAJCRPNIY-NVNXTCNLSA-N 296.370 3.685 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(C(F)(F)F)c1C 593529824 GOOVADHNFFUNSO-SECBINFHSA-N 270.254 3.502 30 20 CHED C[C@H]1Cc2ccccc2[C@H]1Nc1ccc(OCC#N)cc1 1319974812 VAUOPUMFUOFPKB-UGSOOPFHSA-N 278.355 3.934 30 20 CHED Cc1ccccc1OCCC(=O)Nc1cccc(C#N)c1C 1319489774 PGQPQHLZKIHPHR-UHFFFAOYSA-N 294.354 3.583 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(OCC#N)cc1 1322006583 CQPOQJFRMJXRHY-KGLIPLIRSA-N 286.375 3.744 30 20 CHED CC(C)c1ocnc1C[S@@](=O)CCCCC(C)(C)C#N 1321998686 PLXYPRKLVIVNKL-FQEVSTJZSA-N 296.436 3.767 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN(c1ncccc1C#N)C2 1320230532 MQLBAZKEGUYRBL-UHFFFAOYSA-N 291.398 3.813 30 20 CHED C#CCOc1ccccc1CNc1ccc(COCC)cc1 1322144774 PEVJCHSDDUDWAL-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCCC(F)F 1332815759 LPDMBKXNONSYHN-UHFFFAOYSA-N 288.382 3.810 30 20 CHED CC1(C)CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 1186144384 LIRBLHXDURNGHD-NSHDSACASA-N 263.772 3.987 30 20 CHED Cc1cnc([C@@H](C)CNc2cc(C#N)cc(Cl)n2)s1 1339661729 WGKCEPVROGEWJF-QMMMGPOBSA-N 292.795 3.587 30 20 CHED C[C@H](CCC#N)CNCCc1c(F)cccc1Cl 1333350552 BZQSPXGDRBXZMJ-LLVKDONJSA-N 268.763 3.551 30 20 CHED COc1ccc(Cl)cc1CCN[C@@H](C)CC(C)(C)C#N 1333615093 CRPXRIQZDRQEKK-LBPRGKRZSA-N 294.826 3.809 30 20 CHED COc1ccc(C[C@@H](C)N(C)Cc2ccc(C#N)cc2)cc1 1337025822 LEEKZDCZWXVJCU-OAHLLOKOSA-N 294.398 3.630 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1cccc2c1CCCN2 1337261651 ORMNABNOBBCHAF-ZDUSSCGKSA-N 272.392 3.610 30 20 CHED Cc1cccc(CN(C)[C@H](C#N)c2ccccc2)c1 1190437464 ZTGLPQUVNDHEFP-QGZVFWFLSA-N 250.345 3.692 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(F)cc(C#N)c1 1345372189 YENKJPVDJQSJKP-OAHLLOKOSA-N 287.338 3.660 30 20 CHED CSc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 102855993 DRFROLFKOVFPOG-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C=C(C)CCC(=O)N1Cc2ccccc2C[C@H]1CC 1353645949 WSZBICMKLZNLNQ-MRXNPFEDSA-N 257.377 3.706 30 20 CHED Cc1ccc(C(=O)Nc2cscc2Cl)cc1C#N 1439001979 JESIOHAUSUEBLT-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1cc(F)c(C(=O)Nc2ccc(F)cc2C#N)c(F)c1 1516235605 FGZSKWHYUIHZRD-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1ccc(F)c(CCNc2nc(C#N)c(Cl)s2)c1 1458384259 GEJFWBDQBHUBKX-UHFFFAOYSA-N 295.770 3.770 30 20 CHED N#Cc1sccc1C(=O)NCc1ccc(C2CCC2)cc1 1522010503 RHUDXDYMZFRARR-UHFFFAOYSA-N 296.395 3.817 30 20 CHED C=CCn1c([C@H](C)OC(C)(C)C)nnc1N(CC)CCC 1520497275 OULUBZAFOYXWJB-ZDUSSCGKSA-N 294.443 3.577 30 20 CHED O=C(O)c1cc(NN=C2CCC[C@H]2CCCF)ccc1F 1602286957 WFCUYPLRYOSVQY-JTQLQIEISA-N 296.317 3.842 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc(C#N)c(Cl)c1 1460709629 MONHRFXVJAXDIT-BZNIZROVSA-N 290.794 3.910 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCc1cc(C#N)ccc1F 226178678 PQJIBTKGOHNJOO-BFQNTYOBSA-N 260.356 3.612 30 20 CHED CCCCC1CCC(Nc2cc(C#N)cnn2)CC1 1611849667 XWLLUUUJEFMZIR-UHFFFAOYSA-N 258.369 3.509 30 20 CHED Cc1ccc(CNc2nc(C#N)c(Cl)s2)cc1F 1559286488 AWKGJHCXACESQJ-UHFFFAOYSA-N 281.743 3.728 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc(C(F)F)cc1 1639694096 WHEKOSGDWXQAIF-UHFFFAOYSA-N 290.244 3.887 30 20 CHED CC[C@H](C#N)C(=O)NCc1cccc(Oc2ccccc2)c1 1630063866 JYYSIVUGYCMYMP-OAHLLOKOSA-N 294.354 3.645 30 20 CHED N#Cc1cccc(Sc2ncnc(-c3ccccc3)n2)c1 1639590611 SOXOLBJPGJSINI-UHFFFAOYSA-N 290.351 3.561 30 20 CHED C=CCC(CC=C)C(=O)Oc1cc(CC)ccc1C(=O)O 1588737606 NHHPZSHIZQSUBW-UHFFFAOYSA-N 288.343 3.621 30 20 CHED CS[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 245950589 WIIBTFDOLNUQNR-DAXOMENPSA-N 274.433 3.883 30 20 CHED CCc1c[nH]c2ncnc(Oc3cc(Cl)ccc3C#N)c12 1655267297 YRSNNPKEBIZYOC-UHFFFAOYSA-N 298.733 3.838 30 20 CHED C=C(Cl)CNCc1ccc(OC)c(O[C@H](C)CC)c1 1656579605 VDTIVGHXNNELEB-GFCCVEGCSA-N 283.799 3.715 30 20 CHED CCCCCCCC[C@H](C)C(=O)Nc1cc(C(=O)O)no1 1595704633 FGWMNHKAZDYIPG-NSHDSACASA-N 296.367 3.698 30 20 CHED N#C[C@H]1CCC[C@@H](NCC2(c3cccc(F)c3)CCC2)C1 1660668948 SXZIBTSYWSWJCI-WMLDXEAASA-N 286.394 3.919 30 20 CHED CC1(C#N)CN(Cc2ccc(Oc3cccc(F)c3)cc2)C1 1664944271 CYKXQFOIUYAOOS-UHFFFAOYSA-N 296.345 3.963 30 20 CHED C[C@H](NN=C1CCC[C@@H](CCCC(=O)O)C1)C(C)(C)C 1593318168 BLQRDAJFKVFJNZ-STQMWFEESA-N 282.428 3.812 30 20 CHED CCCCCCCC(=O)Nc1c(F)ccc(F)c1C(=O)O 1595704623 DROKVQJXRSAHQQ-UHFFFAOYSA-N 299.317 3.962 30 20 CHED C=C[C@@H](C)NCc1ccc(OCc2ccccc2)cc1 123202856 RTINCCUNTAIQFO-OAHLLOKOSA-N 267.372 3.930 30 20 CHED C=C(C)C[C@@H](NCc1ccc([C@H](C)CC)cc1)C(=O)O 1776137599 XTLBSDHOMHRHEB-CZUORRHYSA-N 275.392 3.709 30 20 CHED O=C(O)c1ccc(NN=CC2CCCCCCC2)cn1 1776070486 SGDMVEULIQXWQT-UHFFFAOYSA-N 275.352 3.538 30 20 CHED C=CCCCCCN1CC[C@@H](CC(=O)O)C(F)(F)CC1 1776173421 UDNYJSYDEFLFEG-ZDUSSCGKSA-N 289.366 3.555 30 20 CHED O=C(O)c1ccc(NN=C[C@H]2C[C@H]2c2ccc(F)cc2)cc1 1776012399 RGPHENZQMKRNSW-CJNGLKHVSA-N 298.317 3.725 30 20 CHED Cc1ccc(C(=O)O)cc1C(=O)/C=C\c1ccsc1C 1777436448 ZWRZPCZNCDPNKA-WAYWQWQTSA-N 286.352 3.959 30 20 CHED C[C@@H](CC#N)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 162294535 AXOBVMRDPOMTSN-MNOVXSKESA-N 298.308 3.617 30 20 CHED CSc1ccsc1C(=O)Oc1ccc(C#N)cc1F 158123270 DERJNGMGMNCKJO-UHFFFAOYSA-N 293.344 3.700 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2nc(N(C)C)oc2c1 158957988 SQGBDFKYVSBBKD-UHFFFAOYSA-N 299.374 3.601 30 20 CHED CC(=O)c1cc([N+](=O)[O-])ccc1OCCCC(C)(C)C#N 160780097 QYASIKRCGOBOSM-UHFFFAOYSA-N 290.319 3.506 30 20 CHED C#CCCCCNC(=O)Nc1c(C)cccc1OC(F)F 153528085 OIADSXLPWQHGNT-UHFFFAOYSA-N 296.317 3.521 30 20 CHED CSc1cc(C)ccc1CNCc1cccc(C#N)c1 153537461 XVZHBGJXGYQBPI-UHFFFAOYSA-N 282.412 3.878 30 20 CHED Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)c(F)c1 153562533 GOOVRRGSISKCFH-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(C)nc1 153794148 IPNPIBNAOVUVLI-UHFFFAOYSA-N 266.388 3.621 30 20 CHED C=C(C)CNC(=O)Nc1ccc(SC(F)F)cc1 156055736 RLESXVNOYQUFLQ-UHFFFAOYSA-N 272.320 3.699 30 20 CHED CC[C@H]1CCCCN1Cc1ccc(N(C)CCC#N)cc1 157459528 YDYYGFIYCJULJZ-KRWDZBQOSA-N 285.435 3.801 30 20 CHED C#CCOc1ccc([C@H](C)NCc2cccs2)cc1 156502061 LULPDLAVPJCBQA-ZDUSSCGKSA-N 271.385 3.611 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 209192901 AJIPZISSQVFNLQ-BHQIHCQQSA-N 277.276 3.692 30 20 CHED CCCc1ccccc1NCc1cc(C#N)ccn1 901366940 WXIPZGMQHNRLCD-UHFFFAOYSA-N 251.333 3.518 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1nc(Cl)sc1Cl 847665112 IQPFQIAEJRCJPK-SSDOTTSWSA-N 293.219 3.925 30 20 CHED C#CCCCCNC(=O)c1ccc(F)c2ccccc12 236171454 VJXAGVNRDREWLU-UHFFFAOYSA-N 269.319 3.512 30 20 CHED Cc1cc(OCc2c(F)cccc2F)ccc1C#N 1166101858 PGGCTUGLRWYZKO-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C[C@@H](NCCCC#N)c1ccc(Cl)c(Cl)c1 128374538 NEAVDMOBGFNNES-SECBINFHSA-N 257.164 3.948 30 20 CHED CCCCCCN[C@@H](C)c1ccc(OCC#N)cc1 37232549 HQYUFOPJCFCPMP-AWEZNQCLSA-N 260.381 3.820 30 20 CHED CSc1ccc(CNCc2ccc(C#N)cc2)cc1 37505879 GMJJBWRGKFQOMH-UHFFFAOYSA-N 268.385 3.570 30 20 CHED CN(Cc1cscn1)c1ccc(C#N)c(C(F)(F)F)c1 42868909 NEMGQEAHWZWTTL-UHFFFAOYSA-N 297.305 3.670 30 20 CHED N#Cc1ccc(NCCSc2ccccc2)c(F)c1 37904413 ZUBXXUWOTACFRM-UHFFFAOYSA-N 272.348 3.902 30 20 CHED C=C(C)CN(CC)Cc1cc(Cl)ccc1[N+](=O)[O-] 55292005 CYJIWCWSVHHWTO-UHFFFAOYSA-N 268.744 3.646 30 20 CHED C#CCCCC(=O)N(Cc1ccccc1)[C@H](C)CC 192082794 WPPPDLCLWOENPD-OAHLLOKOSA-N 257.377 3.617 30 20 CHED Cc1cc(N[C@@H](C)c2cc(C)oc2C)cc(C#N)n1 308282077 WROUIDVQGQYYHR-NSHDSACASA-N 255.321 3.645 30 20 CHED C[C@@H](C#N)OCCNc1ccc(C(F)(F)F)cc1Cl 311778552 YBAJPCQIEFJJDI-QMMMGPOBSA-N 292.688 3.699 30 20 CHED OC(=Nc1cccc2nc[nH]c12)[C@@H]1CC12CCCC2 330000947 XIPYNXAFANAWOW-JTQLQIEISA-N 255.321 3.731 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)cc2)n1 331670019 NSRGFQKRGAMPAY-SMDDNHRTSA-N 267.332 3.902 30 20 CHED CC[C@H](Nc1cccc(OCCCC#N)c1)C1CC1 86119332 ZNFNVZPTYPFIRU-INIZCTEOSA-N 258.365 3.970 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 332704109 WIMPQYGSYYSGHX-RBSFLKMASA-N 276.424 3.649 30 20 CHED CC(F)(F)CCOc1ccc(Br)cc1C#N 450879854 WHSQRPDRYWZTQP-UHFFFAOYSA-N 290.107 3.745 30 20 CHED C#CCCCCC(=O)N(CCC)Cc1ccc(C)cc1 692879904 WMIWEBWRDLIXSM-UHFFFAOYSA-N 271.404 3.927 30 20 CHED Cc1ccc(C(C)C)cc1Oc1cc(C#N)ncn1 389366784 DGMCSUSEVJXLCX-UHFFFAOYSA-N 253.305 3.572 30 20 CHED Cc1nc(N2CC[C@@H](C(C)(C)C)C2)c(Cl)cc1C#N 394040763 SHDXUAKTALUOSP-GFCCVEGCSA-N 277.799 3.788 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccccc1SC 282132383 HDJXABHZLOJYNQ-ZDUSSCGKSA-N 275.417 3.779 30 20 CHED C=CCCOC(=O)CCc1ncc(-c2ccccc2F)o1 103650093 NHLTWLUPUOKDPO-UHFFFAOYSA-N 289.306 3.533 30 20 CHED C=CCCCC(=O)Nc1cc(OC)ccc1OC(C)C 177830860 JEGGYMQJSLAYTK-UHFFFAOYSA-N 277.364 3.777 30 20 CHED CCOc1ccccc1[C@H](CC)NC[C@@H](C#N)CCC#N 179734541 ZTMHFSVDRLOXSA-ZBFHGGJFSA-N 285.391 3.570 30 20 CHED CCc1ccc(CNCC(C)(C)CCC#N)s1 174270908 FFEAOKDWMJWXKC-UHFFFAOYSA-N 250.411 3.730 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@H]2CCC[C@H]21 174295390 OFQXPQHZIOQIFF-GOEBONIOSA-N 285.387 3.656 30 20 CHED N#Cc1cccc(CN2CCC[C@H](Nc3ccccc3)C2)c1 178046855 LPIUKDRHYCYCBI-IBGZPJMESA-N 291.398 3.635 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 110364108 LXNFWDUNAJEVIZ-OLZOCXBDSA-N 289.341 3.780 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1c(F)cccc1Cl 119953575 OALDJHFKWQPNRD-LLVKDONJSA-N 281.758 3.850 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc(-c3ccccc3F)o2)C1 179908484 JSMANLUKNBAYGA-RYUDHWBXSA-N 299.301 3.935 30 20 CHED C=CCSc1ccccc1NC(=O)CN(C)CCCC 302745699 QHAQJAJVSPUKNY-UHFFFAOYSA-N 292.448 3.635 30 20 CHED CCC(=O)OCc1ccc(-c2ccccc2C#N)cc1 23445010 ZWZGWKYZSVBZFF-UHFFFAOYSA-N 265.312 3.678 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2csc(-c3ccccc3)n2)C1 178790333 GPWDSTPNLCLYMO-YPMHNXCESA-N 298.367 3.659 30 20 CHED Cc1cc(C)cc(OCc2ccc(F)cc2C#N)c1 303185306 LCUPHENDLKITSB-UHFFFAOYSA-N 255.292 3.893 30 20 CHED N#Cc1cccc(C(=O)OCc2cc3ccccc3o2)c1 26120725 QHFHOGBYYUNOJI-UHFFFAOYSA-N 277.279 3.661 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2nc3ccccc3s2)c1 1264239843 ITYKCCIUOGFNHG-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Cc1nc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)ccc1C#N 172253563 WCGCJOXIVZHRDZ-HNNXBMFYSA-N 299.418 3.550 30 20 CHED CCO[C@@H](CCNc1c(F)cc(C#N)cc1F)C(C)C 301456487 WPIDGKDUKZCUGC-AWEZNQCLSA-N 282.334 3.700 30 20 CHED C=CCOc1ccccc1CNC(=O)c1cc(C)cc(C)c1 303575296 ZGICISDVDFFMTJ-UHFFFAOYSA-N 295.382 3.798 30 20 CHED CCN(CC#N)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 68231715 YZOHQAGQEUMLTG-LLVKDONJSA-N 298.308 3.571 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@H]1CC[C@@H](C)C1 178378948 NSBHGAJBFZWDQZ-DGCLKSJQSA-N 256.349 3.632 30 20 CHED C=C[C@H](CC(=O)NC1CCCCC1)c1ccccc1 121469046 JLSSXTFRHFCPDM-CQSZACIVSA-N 257.377 3.795 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)c1nccs1)c1cccs1 1343903348 ZWERMATXXSPVAZ-MWLCHTKSSA-N 292.385 3.652 30 20 CHED CC(C)CCN(Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 129826478 UXNKHVUFQNMXTQ-HNNXBMFYSA-N 286.419 3.988 30 20 CHED N#Cc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1 301102182 OLTNGRGIBBSKEJ-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CC[C@@H](C#N)NC(=O)Cc1cc2c(ccc3ccccc32)o1 126237939 AYYZOIKGZDLXQR-ZDUSSCGKSA-N 292.338 3.547 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1C 33466999 OIXZNNGJCUQUOF-POHAHGRESA-N 252.313 3.905 30 20 CHED CC#CCCCC(=O)N1CCCc2cc(F)cc(C)c21 185734613 MICLUHJKJFMFCQ-UHFFFAOYSA-N 273.351 3.607 30 20 CHED C[C@@H](CC#N)N[C@H](C)c1ccc(Cl)cc1Cl 37871231 UZKBVDZGWGDRML-DTWKUNHWSA-N 257.164 3.946 30 20 CHED C[C@@H](CC#N)N(C)CCCc1ccc(Cl)cc1 129693824 UWDLWXODOMKIHK-LBPRGKRZSA-N 250.773 3.507 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1ccccc1 187583792 XVLOJXWJKBALBJ-CZUORRHYSA-N 262.349 3.520 30 20 CHED N#Cc1cc(CSc2cccc(O)c2)ccc1F 185654957 GLFQHVACGLOOOT-UHFFFAOYSA-N 259.305 3.695 30 20 CHED C[C@]1(CNc2ccc(C#N)c(Cl)c2)CCCC[C@@H]1O 301484260 GNJVBCMDMXLEGV-LSDHHAIUSA-N 278.783 3.565 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 354748434 QFSVDUOLYRPXSP-KCQAQPDRSA-N 255.365 3.724 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)c1 184775901 GQFUIPWELWMOQZ-GPAKFWEMSA-N 292.338 3.577 30 20 CHED N#Cc1ccc(NCc2ccc3sccc3c2)cn1 357575839 AGGOPIYHIPODEH-UHFFFAOYSA-N 265.341 3.780 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1)CCO2 122436966 GCASNJXCRYRBTK-KAMYIIQDSA-N 280.323 3.744 30 20 CHED C=CCOc1ccccc1CNC(=O)c1c(C)cccc1C 74950567 VJDFOEICVOAONS-UHFFFAOYSA-N 295.382 3.798 30 20 CHED CCOC1CC(CSCCCC2(C#N)CCOCC2)C1 507119666 IJGXGVLYZDIYSL-UHFFFAOYSA-N 297.464 3.635 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 129827881 FPUGULUOJLDRPH-KBXCAEBGSA-N 286.419 3.797 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](C)Cc1cccc(Cl)c1 120228369 NIADGUZOTSLUEE-OLZOCXBDSA-N 292.810 3.527 30 20 CHED N#CC1(CCSc2ncccc2[N+](=O)[O-])CCCCC1 412988144 CRTJTHXGLMRTPE-UHFFFAOYSA-N 291.376 3.946 30 20 CHED CC(C)(C#N)CCCCN1CCOC2(CCCCC2)C1 365435841 YDQPTQXPXJPSDW-UHFFFAOYSA-N 278.440 3.742 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@H](C)c1ccc(F)cc1F 410831590 ZWGVEEBEXUOBSA-AAEUAGOBSA-N 294.345 3.609 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)CC(F)(F)F)CCCC1 412651861 DGHLMJILIRJDPB-NSHDSACASA-N 277.330 3.828 30 20 CHED CC[C@@H]1[C@H](C)CCN1Cc1ccc(N(C)CCC#N)cc1 187580740 UWMDTOCDWPJNBW-CRAIPNDOSA-N 285.435 3.657 30 20 CHED C[C@@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(C#N)cc1 411452086 OSRANMPWQYLGEI-OCBCSQNSSA-N 280.346 3.904 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1ccc(SC)cc1 79530555 OQUJUCKEVNQDKR-ZDUSSCGKSA-N 293.432 3.569 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 412232241 RFLZSLFPAZPAKL-LSDHHAIUSA-N 275.779 3.621 30 20 CHED CSC[C@@H](C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187287521 QUITWMPDFQBEBW-VEAWUBTESA-N 296.480 3.600 30 20 CHED CCCN1CCC(N(C)CCC2(C#N)CCCCC2)CC1 411302661 GFNODGVXQDQMKJ-UHFFFAOYSA-N 291.483 3.657 30 20 CHED C=CCCCSCCOc1cccc(OC)c1 507595729 HVKXUESOFSHYQJ-UHFFFAOYSA-N 252.379 3.773 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCCC(F)(F)C1 410252030 WWIILEVDSZGHIG-GFCCVEGCSA-N 271.351 3.697 30 20 CHED C[C@H](NCCCOc1ccc(F)cc1)c1cccc(C#N)c1 181987779 JFVSTGNUPAIICR-AWEZNQCLSA-N 298.361 3.817 30 20 CHED C=CCOc1ccc(OCC2CC(F)(F)C2)cc1 418893155 XCFLBBHKQFOQKX-UHFFFAOYSA-N 254.276 3.676 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)CCCC#N)C1 412689012 IGXPEVQVBYMFIO-BHYGNILZSA-N 284.403 3.769 30 20 CHED C[C@@H]1CC(C(=O)Nc2ccc(CC#N)cc2)C[C@@H](C)C1 182637245 FWAJBUZDTARLDU-STQMWFEESA-N 270.376 3.763 30 20 CHED Cc1cc(CSc2ccc(O)cc2)ccc1C#N 447287176 MUOAHQZHUGCIRC-UHFFFAOYSA-N 255.342 3.865 30 20 CHED C=CC[C@H](CC)NC(=O)c1cn(CC)c2ccccc12 410129323 YFABKJUNGRHHDU-ZDUSSCGKSA-N 270.376 3.746 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]1C=CCCC1 186990766 NKWDTVMXFXLYDY-MRXNPFEDSA-N 299.414 3.956 30 20 CHED Cc1cc(OCc2noc(C(C)(C)C)n2)c(C)c(C)c1C#N 506422747 OSXFRADCNQDLSN-UHFFFAOYSA-N 299.374 3.743 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1sccc1Br 129203080 HIBRIRRZQZEKCR-MRVPVSSYSA-N 287.226 3.711 30 20 CHED Cc1cc(CNc2cccc(C#N)n2)ccc1Cl 182714004 WWHUPCFIZVPQCT-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccco2)cc1 49879454 SJWJSISSVYXGGZ-CQSZACIVSA-N 282.343 3.572 30 20 CHED N#CC1(CN2CC3(CCCC3)c3c(F)cccc32)CC1 501539482 IBXFECOHAGAVHL-UHFFFAOYSA-N 270.351 3.761 30 20 CHED C[C@@H]1CCc2sc(C(=O)[C@@H](C#N)c3ccccn3)cc2C1 46706057 VWFCHVWVZXVWBY-YPMHNXCESA-N 296.395 3.758 30 20 CHED N#Cc1ccc(NC(=O)c2cccc3c2CCC3)cc1Cl 195646432 HCTLHCSUBVNCSV-UHFFFAOYSA-N 296.757 3.953 30 20 CHED CCCc1nc(CS[C@@H](C)c2cccc(C#N)c2)no1 190792295 KJSOGMXPDYCZPU-NSHDSACASA-N 287.388 3.888 30 20 CHED C=C(C)[C@H](NC1CCC(CN)CC1)c1ccc(F)c(F)c1 423054430 UJYAUKJOOYSRLT-AJUCZRQESA-N 294.389 3.689 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(N2C[C@@H]3CC[C@@H]2C3)cc1 192407788 BWLJLDIHTMHBFY-CKEIUWERSA-N 299.418 3.761 30 20 CHED Cc1coc(-c2cccc(N=C(O)N3C[C@H]4CCC[C@H]43)c2)n1 329933976 QHUCZASGPCOPSI-UKRRQHHQSA-N 297.358 3.680 30 20 CHED C[C@@H](CCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 137166231 PKVHOUUFRMZUPX-HNNXBMFYSA-N 292.382 3.758 30 20 CHED COc1cccc(/C=N\[C@@H](C)Cc2ccsc2)c1O 48833069 KOMVCKPHYHXPIT-RCEBRVLHSA-N 275.373 3.512 30 20 CHED CCC(C)(CC)C(=O)[C@H](C#N)c1nc2ccccc2n1C 131682659 MWZZCVSCVGGJDH-LBPRGKRZSA-N 283.375 3.576 30 20 CHED CC[C@@H](C)[C@H](C)N(CCOc1ccccc1C#N)C1CC1 517899105 JNIQTZZBKAXCGT-CABCVRRESA-N 286.419 3.836 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(CC)s1 424586272 DZDPNGRMOGTPNP-UHFFFAOYSA-N 251.395 3.529 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc(-c2ccccc2)nc1 515544849 VVDYZQLMVRMRTD-QGZVFWFLSA-N 279.387 3.684 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc([C@@H](C)C(=O)OC)c1 424867906 ABQQQMPWMZCLNA-GFCCVEGCSA-N 289.375 3.504 30 20 CHED N#Cc1csc(C(=O)OCc2ccc(Cl)cc2)c1 83937711 KJNUWMCQGCLABX-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CC(C)(C)[C@H](NCc1ccc(C#N)cn1)c1ccccc1 515581101 FUMBNHYHUMXDJZ-QGZVFWFLSA-N 279.387 3.830 30 20 CHED N#CC1(CNC(=O)Nc2ccc(Cl)cc2Cl)CCC1 335249878 NEQPLCDFDNLMQQ-UHFFFAOYSA-N 298.173 3.809 30 20 CHED C=C(C)C(C)(C)c1nc(CSCc2ccco2)no1 424345292 INTPTFCHARMKEK-UHFFFAOYSA-N 278.377 3.950 30 20 CHED CC(C)(C#N)CNC(=O)N1CCCC2(CCCCCC2)C1 512907528 RMWKHBYAZIIYIR-UHFFFAOYSA-N 291.439 3.682 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1ccc(-c2ccc(F)cc2)s1 334385723 NMEZJJYIYILKQJ-JTQLQIEISA-N 288.347 3.538 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[C@H](C#N)C1 425278187 YYFJEEVIKLAJMV-VHSXEESVSA-N 279.727 3.661 30 20 CHED C=CCNC(=O)c1ccc(NCc2ccc(CC)cc2)cc1 193922612 UENKMNUIVJWQBC-UHFFFAOYSA-N 294.398 3.777 30 20 CHED N#C[C@@H]1CC[C@H](N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)C1 339170907 JJHSSOQRWXUHEE-RLCCDNCMSA-N 294.320 3.528 30 20 CHED CC[C@H](c1ccncc1)N(C)c1snc(Cl)c1C#N 92656183 PDDZMJUBPZDGNL-LLVKDONJSA-N 292.795 3.651 30 20 CHED CN(Cc1ccc(C#N)cn1)Cc1cccc2ccccc12 514770330 JEBOJURBSWAYGS-UHFFFAOYSA-N 287.366 3.738 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCCC(F)(F)C2)CC1 336212209 NGOYPSPNMIRMRO-IYXRBSQSSA-N 270.367 3.874 30 20 CHED CC[C@H]1c2ccsc2CCN1C(=O)[C@](C)(C#N)CC 288570815 KGAJSQUHSARAAY-WFASDCNBSA-N 276.405 3.524 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@]12CCC[C@@H]1C2 421443600 GKONOPYNRVHEKO-RHSMWYFYSA-N 273.351 3.531 30 20 CHED C=CCN(Cc1ncnn1C(C)(C)C)CC1CCCCC1 338320663 YWPXCXHBEAFELW-UHFFFAOYSA-N 290.455 3.601 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Cc1ccccc1Cl 513758279 ZLHDURHNHUKOPN-ZDUSSCGKSA-N 279.811 3.943 30 20 CHED CCCc1nc(/C(O)=N/CC2CCCCC2)co1 330411946 LRAJAYCGKYJYEK-UHFFFAOYSA-N 250.342 3.512 30 20 CHED CN(Cc1cccc(C#N)c1F)Cc1c(F)cccc1F 339600395 RMDHOYJQGNJFLJ-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2cccc(C#N)c2F)C1 335959099 FLMUNCZNZZIRCN-GUYCJALGSA-N 295.361 3.675 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(CCC#N)Cc2ccco2)C1 330520825 IPRLTFHPMHDFDN-HUUCEWRRSA-N 288.391 3.738 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2c(Cl)cccc2Cl)no1 335152314 OYCQYLYJGVDWTR-FUXBKTLASA-N 294.141 3.845 30 20 CHED CC[C@@H](/N=C(/O)c1cc[nH]c1C(C)C)C1CCOCC1 330611204 OOEAQXRMXJAFLI-CQSZACIVSA-N 278.396 3.648 30 20 CHED C=CCc1cc(CN[C@H]2CCC[C@@H]2C)cc(OC)c1OC 237241427 YCBSSPKGDHMBPX-BBRMVZONSA-N 289.419 3.711 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)C1CCCCC1 436314569 YOZSCTJATXTHIG-BPUTZDHNSA-N 251.414 3.526 30 20 CHED Cc1c(C(=O)NCc2ccoc2)sc2ccc(C#N)cc12 432886207 WKSKUFBEBXUOML-UHFFFAOYSA-N 296.351 3.604 30 20 CHED Cc1c(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] 331074501 KRURLBMTDRRVBB-ZYHUDNBSSA-N 276.336 3.644 30 20 CHED Cc1cc(N(C)CCC#N)c2cc(Cl)cc(C)c2n1 432144615 ZXUWTMDLAAXUPY-UHFFFAOYSA-N 273.767 3.855 30 20 CHED CC(C)(C)CCNC(=O)N[C@@H](CCC#N)c1ccccc1 438836243 NGKWVGUPWBVGDZ-HNNXBMFYSA-N 287.407 3.767 30 20 CHED N#Cc1cccc(N[C@H]2CCCc3ccc(F)cc32)n1 92976484 CCHVBAWSPYIECS-HNNXBMFYSA-N 267.307 3.582 30 20 CHED C=CC1CCN(C(=O)NC[C@@H](c2ccccc2)C2CC2)CC1 432601718 OECWDZYGIUCUFR-SFHVURJKSA-N 298.430 3.788 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C=CCC1 247966430 BULKXNMUSLLRKL-HNNXBMFYSA-N 282.387 3.652 30 20 CHED C=CC[C@@H](CC)NC(=O)c1oc2ccc(OC)cc2c1C 520447091 GEGIRARMJIZNCI-GFCCVEGCSA-N 287.359 3.834 30 20 CHED C=CCC[C@H](NCC(=O)OC(C)(C)C)c1ccccc1 342469922 HGKRHOVWHMUVIB-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1cccc(Nc2ccccc2)c1 345009031 MAQLSLFTHHFKJT-AWEZNQCLSA-N 293.370 3.662 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2cc(OC)ccc2C1 527191926 YTCRCUHFIHPRPM-SFHVURJKSA-N 287.403 3.572 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CC(C)(C)c2ccccc21 436284947 NDDRJELXCYWFKV-JLSDUUJJSA-N 285.431 3.980 30 20 CHED COc1cc(C#N)ccc1CSc1ncccc1C 344578187 LEKGTWNKQQBCFN-UHFFFAOYSA-N 270.357 3.563 30 20 CHED Cc1occc1CNc1c(C#N)cnc2c(F)cc(F)cc12 609570859 AKSQXSXRAKELQX-UHFFFAOYSA-N 299.280 3.898 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 609974626 UQPUKWBDJYNAIS-RHSMWYFYSA-N 284.403 3.528 30 20 CHED C=C[C@H](CC(=O)N(C)c1ccccc1C#N)c1ccccc1 340407076 VXWSRNIBKONIBN-OAHLLOKOSA-N 290.366 3.881 30 20 CHED C=CCCN1CCCC[C@@H]1c1nc2ccccc2o1 533538214 YMLDXEXMCHAOEH-CQSZACIVSA-N 256.349 3.931 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](C)C#N 609921920 WHPQPYWFNWAEBE-JOYOIKCWSA-N 299.201 3.590 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1cc(C)cc(C)c1 346214016 GZDRKCVXGFHLBU-UHFFFAOYSA-N 258.365 3.596 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(F)c(C#N)c1)C(C)C 609173270 RPVDACSEPMIIAU-NSHDSACASA-N 262.328 3.708 30 20 CHED C[C@@H]1c2ccccc2CCN1c1nccc(C#N)c1Cl 342852307 QPWJBQWBNHRSQR-LLVKDONJSA-N 283.762 3.730 30 20 CHED Cc1cc(C)n(CCS[C@H](C)c2cccc(C#N)c2)n1 443145598 MRKVBVCWBQHQNK-CQSZACIVSA-N 285.416 3.866 30 20 CHED S=C(NN=C/C=C/c1ccccc1)Nc1ccccc1 254670537 VUSJWJPMCCHPMX-DNKAYRMDSA-N 281.384 3.672 30 20 CHED CC(C)OCc1ccccc1CNC[C@H](C)CCC#N 602513414 XQLJXTVONAMQKL-OAHLLOKOSA-N 274.408 3.641 30 20 CHED C=CCCOCCCCC(=O)N(CC)C1CCCC1 347622425 QEZTUMTYUMUNNM-UHFFFAOYSA-N 267.413 3.541 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccncc2)CCCCC1 448628680 BXUWKWAPWUCMGM-UHFFFAOYSA-N 272.392 3.567 30 20 CHED C=CCC1(C(=O)Nc2cccc(C(C)=O)c2)CCCC1 449054027 DSHZZJCPZUEJDV-UHFFFAOYSA-N 271.360 3.964 30 20 CHED CCCN(CC#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 608959323 YZEOSLOIYSGJEB-KBPBESRZSA-N 264.413 3.601 30 20 CHED Cc1ccc(OC2CCN(CC3(CC#N)CC3)CC2)cc1 602783907 SNOFAHBFNKCPAD-UHFFFAOYSA-N 284.403 3.532 30 20 CHED C/C=C\c1ccc(OC[C@@H](C#N)CCC#N)c(OC)c1 255089240 HWINUTCTPHLVPM-PKXJPQMGSA-N 270.332 3.551 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCO[C@H](c2ccncc2)C1 449544079 VHMVPCNVGIBMEV-BBWFWOEESA-N 274.408 3.636 30 20 CHED Cc1cccc(CC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 608847602 SCSBYFISCNRPSA-UHFFFAOYSA-N 292.382 3.977 30 20 CHED C=CCC[C@@H](NCc1ccc(OC)cc1F)C1CC1 539058714 SURRGEVVAPYCKK-MRXNPFEDSA-N 263.356 3.669 30 20 CHED N#Cc1ccc2[nH]c(=NC3CCC(F)(F)CC3)ccc2c1 537874436 DTRKVOINLCGOMY-UHFFFAOYSA-N 287.313 3.518 30 20 CHED N#Cc1ccc(-c2nc(CCCc3ccccc3)no2)s1 530923504 LBYTWJGSTOFRKZ-UHFFFAOYSA-N 295.367 3.845 30 20 CHED COc1ccccc1-c1ccc([C@H](C)N(C)CC#N)cc1 266039464 VNWQZWVPDZTHAM-AWEZNQCLSA-N 280.371 3.879 30 20 CHED N#CC[C@@H](CC(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 356269288 DFVGMVBVMVBHHJ-ULQDDVLXSA-N 282.387 3.617 30 20 CHED CC(C)CCN(CCC#N)C(=O)CC1CCC(C)CC1 359958966 LXADECBVSFECFF-UHFFFAOYSA-N 278.440 3.991 30 20 CHED N#C[C@@H]1CCC[C@@H]1NCc1cccc(-c2ccncc2)c1 350359524 SISCSHMRYOJFDA-ROUUACIJSA-N 277.371 3.530 30 20 CHED CC1(C)CCC[C@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 618732730 CUHFQQKCKSSRIX-RDJZCZTQSA-N 296.414 3.878 30 20 CHED CC(C)c1cnc(CN[C@H]2CCc3cc(C#N)ccc32)s1 618741667 JUWWXIJETDYVMO-HNNXBMFYSA-N 297.427 3.915 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(C#N)c1 265657514 ZDYROYJIBAHBOK-CZUORRHYSA-N 270.376 3.599 30 20 CHED C=CCCOCCNC(=O)c1cc(CC)c(CCC)s1 536061073 QHERQDJBOHRNKD-UHFFFAOYSA-N 295.448 3.586 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1Cc1cccc(C#N)c1F 611371867 XNESSQJFUTYMMM-LBPRGKRZSA-N 298.336 3.956 30 20 CHED C=CCCC1(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 356895873 NAVMCUSDJFWRCA-LBPRGKRZSA-N 273.380 3.539 30 20 CHED Cc1c(C#N)c(NC(=O)[C@H]2C[C@H]2C)n(-c2ccccc2)c1C 611466850 WIJJDBPVDURSKB-ABAIWWIYSA-N 293.370 3.560 30 20 CHED Cc1oc(C#N)cc1C(=O)NCCC(C)(C)c1ccccc1 619549785 KCTVSYSAGFZHQI-UHFFFAOYSA-N 296.370 3.557 30 20 CHED N#Cc1ccc(CNC2(Cc3ccc(F)cc3)CC2)c(F)c1 449564878 HIKHPNMRRKUADL-UHFFFAOYSA-N 298.336 3.701 30 20 CHED CCC1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 354827367 AGEPNBITQSUJRF-KRWDZBQOSA-N 284.403 3.723 30 20 CHED C/C=C/c1ccc(NC(=O)c2cscc2C#N)cc1 354941453 UQYRFVULHHQCHD-NSCUHMNNSA-N 268.341 3.905 30 20 CHED CSC1(CNc2c(Cl)cccc2C#N)CCOCC1 266272855 RLSMKRVTVIHHQF-UHFFFAOYSA-N 296.823 3.536 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C#N)s1 611561531 YJDFBFYWSYICHH-UWVGGRQHSA-N 288.338 3.783 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 538335819 NDDUSIVKRVBYJA-DOMZBBRYSA-N 275.417 3.564 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)C1 535042972 ORCDAEXCQRBMCD-HVEKOLDVSA-N 298.430 3.797 30 20 CHED CCCN(c1ccc(C#N)nn1)[C@H](CC)c1ccccc1 611240456 SCGYKOFKEKLOOA-MRXNPFEDSA-N 280.375 3.716 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 538323167 IJQAGRSGAOIHJI-VJUNAUMWSA-N 293.838 3.954 30 20 CHED C=CCCC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 263659382 JCJCLYXVDHKWHU-UHFFFAOYSA-N 287.338 3.533 30 20 CHED CC(C)n1ccnc1Sc1ncc(C#N)cc1Cl 265147176 RVURYKLXKVCMTM-UHFFFAOYSA-N 278.768 3.535 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(C)cc1 539389064 XWSWLUCLUPYAOR-AWEZNQCLSA-N 260.381 3.539 30 20 CHED COCCCCNc1c(C#N)cnc2ccc(Cl)cc12 266446067 WWABLHHDUVRTHR-UHFFFAOYSA-N 289.766 3.598 30 20 CHED COc1ccc(N/C(N)=N/[C@H]2C[C@]2(C)C(C)C)cc1Cl 263027593 AYDVIQICUPGLHH-DZGCQCFKSA-N 295.814 3.510 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)c1ccco1 610171637 ZEUFNHBYGBXOBG-CQSZACIVSA-N 296.370 3.692 30 20 CHED C=C(CNC(=O)CNc1c(C)cccc1C)c1ccccc1 360210021 UKUZKEIVZUGOKH-UHFFFAOYSA-N 294.398 3.545 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 279612139 QZIWGIUBPCGMQP-NEPJUHHUSA-N 275.314 3.556 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2ccc(O)cc2)CCCC1 450168123 JDKKPNLODYVYRR-CQSZACIVSA-N 287.403 3.576 30 20 CHED CC(C)CCCCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 457759576 ZDUFXZSGHGZYCV-IBGZPJMESA-N 298.430 3.770 30 20 CHED C=CC(C)(C)CNC(=O)N(C1CC1)[C@H](C)c1ccco1 458984213 FUQDLYXIQMMSSS-GFCCVEGCSA-N 276.380 3.727 30 20 CHED CO[C@@H]1CCC[C@H]1CN[C@H]1CCCCc2cc(C#N)ccc21 360650888 YXQLMGNZMDCFID-YTQUADARSA-N 298.430 3.730 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cnc3ccccc3c2)no1 547037468 DHZCFPVWUMLZLE-LBPRGKRZSA-N 295.342 3.939 30 20 CHED C#CCCCC(=O)Nc1cc(Br)c(F)cc1C 277102542 XBARIUYDVULYPZ-UHFFFAOYSA-N 298.155 3.639 30 20 CHED C=C(CC)CNC(=O)c1cccc(-c2nc(C)cs2)c1 456810507 GEIPXQOSJPXKHK-UHFFFAOYSA-N 286.400 3.815 30 20 CHED C=CCNC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 361853713 DFBKACNMBDHOPQ-AWEZNQCLSA-N 280.799 3.912 30 20 CHED Cc1ccc(C#N)cc1OCCCc1ccsc1 542088384 HTKGHEOZFUUSFU-UHFFFAOYSA-N 257.358 3.940 30 20 CHED N#CCCCC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 360783665 SIASXHXAXRKXIE-CQSZACIVSA-N 288.366 3.616 30 20 CHED C=C(CC)CNC(=O)[C@H](C)c1ccc(Br)cc1 456815951 ZUGVHCVTDUJTHG-LLVKDONJSA-N 296.208 3.635 30 20 CHED C=CC(C)(C)CN[C@@H]1CCN(C)[C@@H](c2ccccc2)C1 453302756 AVGVFZMRAXAJIB-IAGOWNOFSA-N 272.436 3.624 30 20 CHED CCC[C@@H](CC)SCC(=O)Nc1sccc1C#N 279841501 DAIXGVUKLCMDKT-LLVKDONJSA-N 282.434 3.870 30 20 CHED C#CCCN1CCC[C@@H]1c1nc2ccccc2n1C(C)C 270540251 RBXAASDBYCJOFV-QGZVFWFLSA-N 281.403 3.777 30 20 CHED Cc1nc([C@@H]2CCCCN2CCCCC(C)(C)C#N)no1 369001739 NJOOSCRWCHTPLK-AWEZNQCLSA-N 290.411 3.625 30 20 CHED C#CCCCC(=O)N(CCC)[C@@H](C)c1ccccc1OC 277014737 LZSYXHXNBQTXBO-HNNXBMFYSA-N 287.403 3.798 30 20 CHED Cc1ccc2oc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc2c1 274290198 CFYOWVRTZDQZFM-QGZVFWFLSA-N 284.359 3.799 30 20 CHED CC(C)(C#N)CCN1C[C@@H]2CCC(=O)c3cccc1c32 274290366 NXGBCTUHHITMDM-LBPRGKRZSA-N 268.360 3.507 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C)c(-c2ncco2)c1 454973815 ROFMIVPXLUYSRO-UHFFFAOYSA-N 285.347 3.738 30 20 CHED C=CC(C)(C)c1nc([C@H](C)c2ccccc2C)no1 453151015 ABOSQBDEZKATFA-GFCCVEGCSA-N 256.349 3.993 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N1CCC(CC#N)CC1 541976834 QBXNSIXQIFVRDH-INIZCTEOSA-N 298.430 3.798 30 20 CHED Cc1cc(N2CCC[C@@H]2C)n2c(nc3ccccc32)c1C#N 463063542 HULSUYOBGAZHOZ-ZDUSSCGKSA-N 290.370 3.656 30 20 CHED C=CCN(Cc1ccccc1)C[C@@H](O)CCc1ccccc1 544408883 VCRNKMUXCSFXKD-FQEVSTJZSA-N 295.426 3.668 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@H]1CC 460388772 RFBSRZUGBIPHLN-ZIAGYGMSSA-N 276.428 3.747 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C#N)[C@@H](C)C1CCCCC1 461960312 VBMFZGZAQXEUPV-OCVGTWLNSA-N 291.439 3.583 30 20 CHED CCOC1(CNc2c(Cl)cccc2C#N)CCCC1 555231058 KSWDQRCHNKKJCO-UHFFFAOYSA-N 278.783 3.973 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)[C@H](C)c1ccccc1 467449580 KCBZJNRZWQVCBC-JKSUJKDBSA-N 278.399 3.883 30 20 CHED CC[C@@H](CC#N)NCc1c(F)cccc1OC(F)(F)F 284416043 QWWLEDUEATYYHG-VIFPVBQESA-N 290.260 3.506 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2cc(F)ccc2C#N)C1 469097959 XAAZAOVIUCMFDV-CHWSQXEVSA-N 260.356 3.708 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(Cl)cc1 467734186 PQWHTINSRYTYSN-UHFFFAOYSA-N 263.768 3.725 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(-c2cnc[nH]2)cc1 633654073 JPPNEXGZUBGMHI-UHFFFAOYSA-N 283.375 3.551 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 465121737 PWRBZWUUCRZOPR-ZIAGYGMSSA-N 275.392 3.576 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCC2(C)C)cc1 287210460 ZSAPSDFRKSKFIR-CQSZACIVSA-N 285.391 3.798 30 20 CHED Cc1ccnc(N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1C#N 289221588 ZGCDDCBYKCQIOO-TXEJJXNPSA-N 297.324 3.819 30 20 CHED N#C[C@H]1CC[C@@H](Sc2cc3c(cc2Cl)OCCO3)C1 295861151 BYJZVRLCSQNSNN-VHSXEESVSA-N 295.791 3.896 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](c1nccn1C)C1CC1 639265271 JCBMRJUOUNXAIF-ROUUACIJSA-N 295.430 3.648 30 20 CHED C(=NNCC1CCCC1)c1cnc(C2CCC2)s1 808007260 XFMZLHABPRXWHA-UHFFFAOYSA-N 263.410 3.524 30 20 CHED CC[C@](C)(C#N)C(=O)OCCOc1ccc2ccccc2c1 803784453 DDJZGKWQZUQPGF-GOSISDBHSA-N 297.354 3.702 30 20 CHED C#C[C@@H](NC(=O)c1ccc(SC(F)F)cc1)C(C)(C)C 807878726 ZWLKVJJKOBSKMD-GFCCVEGCSA-N 297.370 3.779 30 20 CHED CC(=NNc1nc(C(F)F)cs1)c1ccccc1 800721448 NENXOBCKIKQAGS-UHFFFAOYSA-N 267.304 3.917 30 20 CHED CCN(CC#N)C(=O)C1(c2ccc(Cl)cc2)CCCC1 299603349 DGFKHZVCWSMNPB-UHFFFAOYSA-N 290.794 3.524 30 20 CHED C=CCCCCNc1cc(F)c(F)cc1NC(C)=O 569546519 GABCOKYHRMOWCX-UHFFFAOYSA-N 268.307 3.691 30 20 CHED C=CCCCCNC(=O)Nc1cc(C)cc(F)c1 473724937 YEMCZCSNDJPHLA-UHFFFAOYSA-N 250.317 3.612 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 560163395 RLYZNYYDQPGPQZ-KGLIPLIRSA-N 299.418 3.596 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCc3c(Cl)cc(F)cc3C2)C1 295763025 RTYYHMIANWWXKU-ZWNOBZJWSA-N 278.758 3.529 30 20 CHED C=CCC[C@H](NC[C@H]1CCCC[C@@H]1O)c1ccccc1 566954476 YQQMFYAUKFDDAI-SQNIBIBYSA-N 273.420 3.835 30 20 CHED C#CC[C@H](NC(=O)N1CC(C)(C)[C@@H]1C1CC1)c1ccccc1 292800235 CTXJIPZKORVHCZ-IRXDYDNUSA-N 296.414 3.581 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)OCCCSCC#N 805513789 XLZCYXPHQHWFKR-ZDUSSCGKSA-N 283.437 3.783 30 20 CHED CCCCCCCC(=O)Nc1cc2n(n1)CCCC2 804756424 ADGVQQQVDUYDBE-UHFFFAOYSA-N 263.385 3.518 30 20 CHED C[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 471022401 MZFSNLTUDDWHRN-DNVCBOLYSA-N 292.382 3.630 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 295753778 OIJFNIDHFJVLIX-XYJFISCASA-N 284.403 3.626 30 20 CHED COc1cccc(O)c1/C=N\CC1CCC(F)(F)CC1 800721437 MWQPGFBHYJFANT-ZDLGFXPLSA-N 283.318 3.645 30 20 CHED C#C[C@@H](NCc1cnc(-c2cccs2)s1)C(C)C 809685663 JCGGHTFVSYGTOX-GFCCVEGCSA-N 276.430 3.619 30 20 CHED C=CCOCCCS[C@@H](C)c1nc(C(C)(C)C)no1 479586380 SYMUEHNWGOJEGZ-NSHDSACASA-N 284.425 3.754 30 20 CHED Cc1c(OCc2ccc(CC#N)cc2)cccc1[N+](=O)[O-] 399013844 BKYICDVDHWSBCE-UHFFFAOYSA-N 282.299 3.548 30 20 CHED CC1(C)CN(Cc2ccc(OCC#N)cc2)[C@@H]2CCC[C@H]21 293030046 LEYBZOPTVPXAFR-IAGOWNOFSA-N 284.403 3.599 30 20 CHED C#C[C@@H](CC)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 809685689 LMCGENWHBBEHGN-FZMZJTMJSA-N 269.310 3.638 30 20 CHED N#CCC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 397102650 AHXKFKLRVYGERQ-UHFFFAOYSA-N 298.308 3.711 30 20 CHED C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC[C@H]1C 294337471 LCTKPUMLEOPRND-KEYYUXOJSA-N 284.403 3.589 30 20 CHED C#C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C)C(C)(C)C 808315814 NGTMZTYTMWTFIX-OIISXLGYSA-N 298.430 3.622 30 20 CHED C=CCCCCCCNC(=O)c1ccc(CC#N)cc1 805219270 CQUAXHVVOXVUDP-UHFFFAOYSA-N 270.376 3.619 30 20 CHED Cc1c(C(=O)N2C[C@H](C)[C@@H](C)C2)sc2ccc(C#N)cc12 560081733 HJOJZKCQZLBWNU-QWRGUYRKSA-N 298.411 3.809 30 20 CHED Cc1ccc([C@H](N[C@H]2CC[C@@H](C#N)C2)C2CC2)cc1 561954164 JJBCICLZYFTNSW-COXVUDFISA-N 254.377 3.728 30 20 CHED C=CCN(C)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 487746413 DMKCTJDSZMJRQG-CVEARBPZSA-N 272.392 3.540 30 20 CHED FC(F)Oc1ccc(NN=C2CC[C@H]2C2CC2)cc1 814828396 APKVLUKSTHYDQV-LBPRGKRZSA-N 266.291 3.876 30 20 CHED CC(C)c1cccc(N(C)Cc2cc(C#N)n(C)c2)c1 483308540 NOIAKRPCITVUIV-UHFFFAOYSA-N 267.376 3.657 30 20 CHED C=CCCCCSCC(=O)N(C)c1ccccc1 567480236 ZUUGRVNLPIBNIQ-UHFFFAOYSA-N 263.406 3.739 30 20 CHED C#CCOc1ccccc1-c1noc(CC(C)(C)C2CC2)n1 815673846 DTMFBIMSKQARPY-UHFFFAOYSA-N 296.370 3.727 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCCC[C@@H]1CC 564370349 QGSNKYOCGKKJAW-HNNXBMFYSA-N 288.439 3.891 30 20 CHED CC1(C)OCCC1=NNc1cc(C(F)(F)F)ccc1F 814886197 UTYOCPQZXTYURY-UHFFFAOYSA-N 290.260 3.811 30 20 CHED c1nc(NN=C2CC3(CC3)C2)c2c3c(sc2n1)CCC3 814726318 PXQYGIXMXBBIGI-UHFFFAOYSA-N 284.388 3.522 30 20 CHED CCOc1ccc(OCc2cccc(F)c2C#N)cc1 488265045 QYXZKXSELPOHLA-UHFFFAOYSA-N 271.291 3.675 30 20 CHED C[C@@H](OC(=O)CCCC1CC1)c1cccc(C#N)c1 812602417 SINTXNPZJVBXEX-GFCCVEGCSA-N 257.333 3.743 30 20 CHED C=CCC[C@H](NCc1cnc2n1CCC2)c1ccccc1 657412954 MBBRLYJGAAJMQY-KRWDZBQOSA-N 281.403 3.626 30 20 CHED Cc1cc(OC(C)C)ccc1NC[C@@H](C#N)CCC#N 819417406 YSADWPQSRAFRFS-CQSZACIVSA-N 271.364 3.638 30 20 CHED Cc1ccc(NN=Cc2ccc(N(C)C)c(F)c2)cc1 727649670 CHWZGCSSVJJVFN-UHFFFAOYSA-N 271.339 3.646 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@H](c1ccco1)N(C)C 657821461 NFZLBSBDIZDBSE-OAGGEKHMSA-N 276.424 3.607 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)CCc1ccc(C#N)cc1 487245825 NEPXMOGNCCPDER-HNNXBMFYSA-N 298.430 3.966 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc3n[nH]cc3c2)CCCC1(C)C 579551068 RZMSNQOYYQMOPQ-MRXNPFEDSA-N 297.402 3.770 30 20 CHED CCCCCCCC(=O)N(C)c1cnc2ccccc2n1 813284961 AWCFPBABZREFLU-UHFFFAOYSA-N 285.391 3.953 30 20 CHED C[C@@H]1CN(c2ncc(C#N)cc2Cl)Cc2ccccc21 726965542 IZFHAGIFRZZTET-LLVKDONJSA-N 283.762 3.730 30 20 CHED C=CCN(CC=C)C(=O)CC(C)(C)c1ccccc1 497898249 FMQFHQMKSXAASJ-UHFFFAOYSA-N 257.377 3.555 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 729641821 YTQZSEDSSYUMPQ-BIPXCXPJSA-N 282.727 3.561 30 20 CHED C#CCCCOC(=O)CCCCOc1cccc(C)c1 727039060 HRAFXPBSKJPKBL-UHFFFAOYSA-N 274.360 3.501 30 20 CHED CC1(C)CCCN(C[C@]2(C)CC2(Cl)Cl)[C@@H]1C#N 829244535 YGYWXYMZJJPAFQ-PWSUYJOCSA-N 275.223 3.584 30 20 CHED C=CCC[C@H](N=c1cc(C)[nH]c(C#N)c1)c1ccccc1 575011657 FXJGBMKWAXDECS-SFHVURJKSA-N 277.371 3.803 30 20 CHED Cc1cc(N2C[C@@H](C)C[C@H]2c2ccccc2)cc(C#N)n1 578897794 SMYTWTOQYDCOOQ-UGSOOPFHSA-N 277.371 3.849 30 20 CHED C=CCCNC(=O)N(CC)C[C@@H](CC)c1ccccc1 661570093 IPCQCYMSXGTWDL-OAHLLOKOSA-N 274.408 3.788 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(CC)CCC1CC1 582150527 FGEKYLQIOCTCGI-UHFFFAOYSA-N 288.439 3.748 30 20 CHED CCCCC(=NNc1ccc(C)nn1)c1ccccc1 729936051 DGORTXKKDLFYCQ-UHFFFAOYSA-N 268.364 3.791 30 20 CHED CC[C@H](NCCCCCN1CCCC1)c1cccc(C#N)c1 903001207 QVJXAAABXHZNOK-IBGZPJMESA-N 299.462 3.865 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(-c2ncco2)c1C 491679502 FSGSQKNUHXXWBB-CYBMUJFWSA-N 297.358 3.573 30 20 CHED C=CCCNC(=O)N(CCCC)Cc1ccccc1F 661570821 LEMAAZQJEJZEBJ-UHFFFAOYSA-N 278.371 3.714 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc(-c3cnco3)cc2)C1 906525368 MKBYJERLGNORNS-GDBMZVCRSA-N 281.359 3.514 30 20 CHED C=CC[C@@H]1N(Cc2ccc(C#N)cn2)CCCC1(C)C 582793520 FFAUFEIQTSBLFW-INIZCTEOSA-N 269.392 3.520 30 20 CHED C=CCCC1(c2nc(Cc3ccc(F)cc3)no2)CC1 583288302 SNRSPBAMIZXZGO-UHFFFAOYSA-N 272.323 3.797 30 20 CHED C=CC[C@H]1N(C(=O)/C=C\C2CCOCC2)CCCC1(C)C 493423941 BHJHPPQWHKCQTP-XITLMJRVSA-N 291.435 3.563 30 20 CHED CCCc1ccc(/C=C/C(=O)c2cn(C(C)C)nn2)s1 901531271 USHVJBOYDDYHBQ-CMDGGOBGSA-N 289.404 3.769 30 20 CHED CCN(C(=O)C(F)(F)CC)[C@@H](C)c1ccc(C#N)cc1 823316800 CMBMPAYNRWOJEE-NSHDSACASA-N 280.318 3.513 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 497253303 PXRMIDHVMSRVMJ-ZDUSSCGKSA-N 288.391 3.506 30 20 CHED CCC(CC)[C@@H]1C[C@@H](Nc2cc(C#N)cc(C)n2)CCO1 588013216 BSKUXMQYZFDNMN-HOTGVXAUSA-N 287.407 3.657 30 20 CHED CC(CCc1cccc(C)c1)=NNc1cc(C)ncn1 731935264 RWPFZHHTTKSFOB-UHFFFAOYSA-N 268.364 3.514 30 20 CHED CCCCCCCC(=O)NCC1Cc2ccccc2C1 735257548 BDXHLTYPAZUTKT-UHFFFAOYSA-N 273.420 3.878 30 20 CHED Cc1nc(C(C)(C)C)sc1[C@H](C)NCC1(C#N)CC1 903101544 INZUNTXBWTWBTP-JTQLQIEISA-N 277.437 3.703 30 20 CHED N#Cc1cc(F)ccc1COC(=O)[C@H]1CCCCC1(F)F 837823629 LQWCLKADNCYZBC-CYBMUJFWSA-N 297.276 3.566 30 20 CHED N#Cc1ccnc(N2CCc3cc(Cl)ccc32)c1Cl 584179763 WITWKNLGCAJOCC-UHFFFAOYSA-N 290.153 3.954 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2nc(Cl)ccc2Cl)C1 839045401 ZKRKFTITWKSVPL-BDAKNGLRSA-N 299.157 3.628 30 20 CHED N#CCOc1cccc(OC(=O)C2(C3CCCCC3)CC2)c1 905949955 ZBTPJDNMGPXWIV-UHFFFAOYSA-N 299.370 3.855 30 20 CHED CCC[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(F)cc1F 837466434 MRFHMARFXFUNOO-OAHLLOKOSA-N 293.357 3.972 30 20 CHED CC(C)C[C@@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 837433659 FABXQIYXDPLEJT-MRXNPFEDSA-N 289.806 3.957 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C 581719043 PKZGRYWFIVYKJJ-CQSZACIVSA-N 290.455 3.678 30 20 CHED C=CC(C)(C)COC(=O)Cc1cccc2cccnc12 835724727 OIBWKMHQGHLNTD-UHFFFAOYSA-N 269.344 3.533 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)OC3CCCC3)CC2)cc1 831005882 RDUXDJUMZIQOOK-UHFFFAOYSA-N 296.370 3.727 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)O[C@H]1CCC[C@H](C#N)C1 839047999 BHOTXDPEPTZLFK-BBWFWOEESA-N 285.387 3.881 30 20 CHED C#CCOc1ccc(NC(=S)Nc2ccc(C)cc2)cc1 730951907 RUCBVFMSVZBDJB-UHFFFAOYSA-N 296.395 3.816 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(C)c(O)c2)n1 581145364 BMXXZLIWWZHQQZ-UHFFFAOYSA-N 272.348 3.528 30 20 CHED CC(=NNc1cc(C)ncn1)C12CC3CC(CC(C3)C1)C2 731934929 KNJPYSGSRARIPC-UHFFFAOYSA-N 284.407 3.789 30 20 CHED CCCCC(CC)=NNC(=S)Nc1ccccc1 732923417 AZVXGUOKGIMHGN-UHFFFAOYSA-N 263.410 3.929 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2csnn2)CCCCC1 839438524 PVZBUNUWHJFXIZ-LLVKDONJSA-N 280.393 3.669 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cccc3c2OCCO3)c1 917517371 OUZGQMLOHZHNEK-HJWRWDBZSA-N 294.350 3.971 30 20 CHED C#CCN(C(=O)Nc1cccc(C2CCC2)c1)C1CC1 836634970 LVMGSHNJWAOAEI-UHFFFAOYSA-N 268.360 3.584 30 20 CHED Cc1ccc(CCNC2CCC(C)(C#N)CC2)cc1C 594974160 UDXANBASSRHWJI-UHFFFAOYSA-N 270.420 3.908 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(C)s2)c1O 915981605 FFWLNBUTIIKLLF-SXGWCWSVSA-N 275.373 3.780 30 20 CHED CCCC(C)(C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 593111850 BUDAFAQACWEKQM-ZDUSSCGKSA-N 278.783 3.847 30 20 CHED CC[C@H](CC#N)NCc1nc(C2CCCCC2)cs1 594006880 VBNVAJMOCKONCR-CYBMUJFWSA-N 277.437 3.973 30 20 CHED N#Cc1ccc(CCN2CC[C@H]2c2cccc(F)c2)cc1 595342201 LPJSCKYYEOKGLE-SFHVURJKSA-N 280.346 3.687 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(Cl)cc1O 841634434 PWPOWTSKOHTWEP-UHFFFAOYSA-N 281.661 3.739 30 20 CHED Cc1c(C#N)cccc1NC(=O)CC1(C#N)CCCCC1 597415341 KFVPYNYMONNTDG-UHFFFAOYSA-N 281.359 3.669 30 20 CHED CCC[C@H](C(=O)N(C)C[C@H](C)C#N)c1cccc(Cl)c1 599140708 AAVZFZLMNVEIDH-DOMZBBRYSA-N 292.810 3.842 30 20 CHED Cc1ccnc([C@@H](C)Nc2nc(C(C)(C)C)ccc2C#N)n1 598641896 YIBUJWIVEJEMFS-GFCCVEGCSA-N 295.390 3.522 30 20 CHED Cc1cc(N[C@H]2CCc3cc(C#N)ccc32)c([N+](=O)[O-])s1 596216190 WFAIRRFFDGBFKY-ZDUSSCGKSA-N 299.355 3.936 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C(=O)O)c1ccccc1 840995844 GTHMUTIRDYDZPQ-DZGCQCFKSA-N 261.365 3.537 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H]1CCCNCC1 841977709 IRRUPMGBIAGXEZ-MRXNPFEDSA-N 297.487 3.521 30 20 CHED C=CCOc1ccccc1C(=O)Oc1ccc(C(C)=O)cc1 913962306 OVVNQUOSGAKBSC-UHFFFAOYSA-N 296.322 3.673 30 20 CHED CC[C@@H](N[C@@H](C)Cc1ccccn1)c1ccc(C#N)cc1 594514475 IZSGEROPBYBBND-KBXCAEBGSA-N 279.387 3.625 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1(c2ccccc2Cl)CCC1 594084945 RCYDYAILTOAKCN-LBPRGKRZSA-N 290.794 3.522 30 20 CHED CCOc1ccc(/C=N/[C@@H](C)c2cccc(C#N)c2)c(O)c1 743501260 HUKGVFYOSKOAMX-DZUMZMOTSA-N 294.354 3.843 30 20 CHED Cc1ccnc(C(C)(C)c2noc(CCCCCC#N)n2)c1 599184678 GQJRJTAOFUNMAK-UHFFFAOYSA-N 298.390 3.725 30 20 CHED C=C(C)CON=C1CCC(O)(c2cccc(F)c2)CC1 844618282 NWRFXNGFRKHHAP-UHFFFAOYSA-N 277.339 3.536 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)[C@H]1C[C@H]2C=C[C@H]1CC2 842535758 LNLPZUDQEJHMJO-ZFZWDLNGSA-N 269.392 3.710 30 20 CHED CC[C@H](C#N)C(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 593498950 VIWMJEZVBZXSPW-VYDXJSESSA-N 284.403 3.578 30 20 CHED CCCCCCCCNC(=N)NC[C@@H]1CCCSC1 849077304 AOMOONRNNWWMAN-AWEZNQCLSA-N 285.501 3.604 30 20 CHED Cc1ccc([C@@H](C)C(=O)O[C@H](C)c2cccc(C#N)c2)o1 744100886 HMFLYPBQDKTXSE-CHWSQXEVSA-N 283.327 3.868 30 20 CHED C#C[C@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc12 744178657 GMLZVURHOPKJPZ-LBPRGKRZSA-N 291.306 3.673 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)C1CCCCC1 596703974 WMWPCRJKGAIJDS-UHFFFAOYSA-N 262.397 3.642 30 20 CHED Cc1cc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)co1 598882901 PGMQBWPCGPWFGK-UHFFFAOYSA-N 280.327 3.659 30 20 CHED CC(C)[C@@H](C#N)c1ccc(-c2cnc3c(c2)CC(=O)N3)cc1 596637784 ORSNRJNVZXOGTD-MRXNPFEDSA-N 291.354 3.506 30 20 CHED C#CCN(CC)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 919908859 MTGUZVMLXTZVNL-SFHVURJKSA-N 298.430 3.973 30 20 CHED CCC(=NNc1nccnc1C1CCC1)[C@@H]1C[C@@H]1C 841638492 USORVOQYJNXLRN-CMPLNLGQSA-N 258.369 3.578 30 20 CHED CC(C)c1ccc(C2(C(=O)NCC#N)CCCCC2)cc1 597030504 LPQBAJCDQYPBKE-UHFFFAOYSA-N 284.403 3.652 30 20 CHED CC1CC(C#N)(C(=O)N2CCC[C@H](C3CCCCC3)C2)C1 598473159 WHTJEDHGQXDDSD-HQVVEAJESA-N 288.435 3.745 30 20 CHED O=C(/C=C\c1ccsc1)c1ccc2c(c1)COC2 742436218 HEYNBHBMDHKETM-RJRFIUFISA-N 256.326 3.674 30 20 CHED CC#CCOC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 744457773 VEKBJLAQWROJAV-JOHJCKIYSA-N 260.377 3.550 30 20 CHED N#CC1(CC(=O)OC[C@@H]2CCC(F)(F)C2)CCCCC1 849906598 DXKHCNZWZQPRFA-GFCCVEGCSA-N 285.334 3.829 30 20 CHED CCN(C(=O)c1ccc(C(C)C)c(Cl)c1)[C@H](C)C#N 598361647 MWHPQMOEGVHOSD-LLVKDONJSA-N 278.783 3.838 30 20 CHED C=C(Cl)CNc1c(F)cccc1N1CCCC1 849315207 YBTCGHIJFJPKCU-UHFFFAOYSA-N 254.736 3.590 30 20 CHED COc1ccc2c(c1)O/C(=C\c1cc(C)ccc1OC)C2=O 749131520 AUKUCYCTZDPTFU-MFOYZWKCSA-N 296.322 3.628 30 20 CHED CCC[C@@H](C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 744015092 GERXCRIOOJCZJV-OCCSQVGLSA-N 266.344 3.847 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1scnc1C 747060095 GZFOLDQMEYTPJH-UHFFFAOYSA-N 290.348 3.504 30 20 CHED CC(CCN(C)C)=NNc1cccc(Cl)c1Cl 841645076 KZNMEMCPBGHBET-UHFFFAOYSA-N 274.195 3.733 30 20 CHED COc1ccccc1/C=C1/CCc2cc(C#N)ccc2C1=O 742438106 SMVDSHFWTCBIDA-WJDWOHSUSA-N 289.334 3.779 30 20 CHED CC/C=C(\C)C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 847043375 LVSDTLJULILOFK-UDYBNVKDSA-N 270.376 3.628 30 20 CHED C#C[C@@H](CC)NC(=O)CCCc1csc2ccccc12 754379068 GHBUBPFVFZXROH-AWEZNQCLSA-N 285.412 3.752 30 20 CHED C=CCC1(NC(=O)CCCOC(C)(C)C)CCCC1 855927851 BTTOLEVXGVMGFZ-UHFFFAOYSA-N 267.413 3.587 30 20 CHED C=CCCOCC(=O)O[C@H](C)c1c(C)cc(C)cc1C 920791512 OYBFBGILQOCKAY-OAHLLOKOSA-N 276.376 3.809 30 20 CHED C=CCC[C@@H](C(=O)N[C@H]1C=CCC1)c1ccccc1 855430931 ODBWAMKZTXQSQU-JKSUJKDBSA-N 255.361 3.571 30 20 CHED C[C@@H]1Cc2cc(COC(=O)CCCCCC#N)ccc2O1 851370278 YXCXCQAMFGCBJJ-CYBMUJFWSA-N 287.359 3.527 30 20 CHED C#CCCOc1ccc(C=NNc2cccc(OC)c2)cc1 920373352 YIOLGLCVQNPNPB-UHFFFAOYSA-N 294.354 3.543 30 20 CHED C#CCOc1cccc(NC(=O)c2cc(Cl)cs2)c1 757932661 OITRKKXYHOTZEB-UHFFFAOYSA-N 291.759 3.666 30 20 CHED C#CCCCCNC(=S)Nc1c(CC)cccc1CC 758433652 LVIBODJBKKOWMF-UHFFFAOYSA-N 288.460 3.901 30 20 CHED CCOC1CCC(=NNCCCc2ccccc2)CC1 853303739 ZYZDLOJEANJPBI-UHFFFAOYSA-N 274.408 3.544 30 20 CHED C[C@H](C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 751988813 WIMRNHGXCGFHMY-LBPRGKRZSA-N 283.302 3.544 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cccc(Oc3ccccn3)c2)C1 922197069 FDPLZUCKCFVXDB-ZBFHGGJFSA-N 293.370 3.656 30 20 CHED C=CCN(C(=O)N[C@H]1CCCCC1(C)C)C(C)C 757766111 WTMCUIPQYOUPRD-ZDUSSCGKSA-N 252.402 3.561 30 20 CHED C/C(=C\C(=O)N[C@@H](C)CC#N)C12CC3CC(CC(C3)C1)C2 751393255 OVNHDIODNIIACP-AYPWHZNCSA-N 286.419 3.567 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 850335378 PNORFXHCMIVTSH-IAGOWNOFSA-N 285.387 3.882 30 20 CHED C[C@H]1CCCCN1N=C1CCC[C@@H](c2cccnc2)C1 853381903 OIFACFZAJCTBEL-LSDHHAIUSA-N 271.408 3.970 30 20 CHED COc1ccc(NN=C(C)c2nc(C)sc2C)cc1 750946493 RVTWNQVNLQLGTJ-UHFFFAOYSA-N 275.377 3.605 30 20 CHED C=CCCC(C)(C)NC(=O)/C=C/c1ccc(Cl)nc1 856373854 BQGAXNQFDKFBKQ-VQHVLOKHSA-N 278.783 3.609 30 20 CHED CCc1ccc(C=NOCCOc2ccc(C#N)cc2)cc1 853978856 DUZULAOIENUDGA-UHFFFAOYSA-N 294.354 3.550 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)CCc1ccccn1 851144154 QDQCEZPPPNADRA-GDBMZVCRSA-N 273.376 3.692 30 20 CHED CS/C=C/C(=O)Nc1cccc(C#Cc2cccs2)c1 751560488 ARDHYQIQEGVGLC-PKNBQFBNSA-N 299.420 3.963 30 20 CHED C=C1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)CC1 931782097 VVLVDQKMNLSRMJ-UHFFFAOYSA-N 298.386 3.780 30 20 CHED C#CCCCCNC(=O)CCc1cccc2ccccc12 866549065 BHBZAYQJOVHQRP-UHFFFAOYSA-N 279.383 3.692 30 20 CHED CC/C=C\CCON=C1CCN(C(=O)C(CC)CC)CC1 768925673 FXFDCPGYBAKURJ-FPLPWBNLSA-N 294.439 3.774 30 20 CHED CCCCCCCCCNC(=O)N[C@@H]1CCO[C@@H](C)C1 769735311 KCUITMPCMFFAPD-LSDHHAIUSA-N 284.444 3.604 30 20 CHED Cc1ccc2c(c1)CCN(C(=O)Nc1sccc1C#N)C2 931834339 WJAZSOFNPIXQPR-UHFFFAOYSA-N 297.383 3.518 30 20 CHED Cc1cccc(NN=C2CC[C@@H]2c2ccccc2)n1 863160289 YAQHFQNYTIRQQE-CQSZACIVSA-N 251.333 3.736 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1sc(C)nc1C 764714208 BBUVMPSAMFCMIA-UHFFFAOYSA-N 293.823 3.927 30 20 CHED C#CCN[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 764597990 ABFLZVCOINGUDT-ZDUSSCGKSA-N 269.319 3.902 30 20 CHED CCc1ccc(C(C)=NNCc2cnc3ccccc3c2)o1 764779184 OXUBFHZQKVQJFM-UHFFFAOYSA-N 293.370 3.904 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CC2(Cl)Cl)CCCC1(C)C 767220110 YLSFHLIWYYILTG-MNOVXSKESA-N 290.234 3.774 30 20 CHED C=CCC[C@@H](NC[C@@](C)(O)c1ccccc1Cl)C1CC1 765808879 LAWHOKAGDKGWGD-IAGOWNOFSA-N 293.838 3.882 30 20 CHED CCCCCCCNC(=O)c1ccc(COC)cc1 862359447 KIQZKOGHIRTUSZ-UHFFFAOYSA-N 263.381 3.533 30 20 CHED CCn1nc(C=NN[C@H](C)c2ccccc2)c2ccccc21 769780532 RGFQCLOTKAVMKG-CQSZACIVSA-N 292.386 3.741 30 20 CHED CC(C)C(C)(C)C(=O)OCCCCC(C)(C)C#N 768878324 KLLKAUPXSWSJCG-UHFFFAOYSA-N 253.386 3.932 30 20 CHED C#CCCCSc1nnc(Nc2cccc(F)c2)s1 766287648 LQCIUPDLOASOGW-UHFFFAOYSA-N 293.392 3.926 30 20 CHED CCCCCCCC(=O)Nc1ccc(F)cc1O 768259156 QJZLARCYUNMRIQ-UHFFFAOYSA-N 253.317 3.830 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cnc(Cl)c(C)c2)c1 760266648 XQLRQOBPNMMGAV-GQCTYLIASA-N 287.746 3.954 30 20 CHED CCC(CC)(CC)C(=O)[C@H](C#N)c1nc2ccccc2n1C 761004644 XQYUGERMXKFRDO-ZDUSSCGKSA-N 297.402 3.966 30 20 CHED N#CCOc1ccc(N[C@@H](c2cncc(F)c2)C2CC2)cc1 1116914087 RRWRIHLKFFGACR-QGZVFWFLSA-N 297.333 3.686 30 20 CHED CCC[C@@H](C)c1noc([C@H](C)Oc2ccc(C#N)cc2)n1 761850651 USJOGXDXNNIQQD-NEPJUHHUSA-N 285.347 3.985 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2cccc(C#N)c2)o1 767362051 LUIAIVZNCZXEBN-IAQYHMDHSA-N 265.316 3.721 30 20 CHED Fc1ccccc1CCNN=Cc1cc2ccccc2o1 764723701 SGZZMXKIQBWQHK-UHFFFAOYSA-N 282.318 3.738 30 20 CHED Cc1ccc(CN(C(=O)c2ccc(C#N)o2)C(C)(C)C)cc1 875877089 JJYFQFXOFMYHHQ-UHFFFAOYSA-N 296.370 3.901 30 20 CHED Cc1c(C(=O)OCC2(C#N)CC2)sc2ccc(F)cc12 775853577 XKAOBUYNUIRXSZ-UHFFFAOYSA-N 289.331 3.809 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(F)cc1F 777455751 KWIHWJYIQQGCTK-UHFFFAOYSA-N 267.197 3.658 30 20 CHED C=C(C)CN(C)C(=O)NCCCCCCC(C)C 779328316 AMFTYQUOBPQJTQ-UHFFFAOYSA-N 254.418 3.810 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)[C@H](C#N)c1ccccn1 873497662 NQSSNGLHVLPXMD-IAGOWNOFSA-N 292.382 3.835 30 20 CHED CCCCSCC(=O)N(C)c1ccc(C#N)c(Cl)c1 876166061 KDZDVPRSXZBRFQ-UHFFFAOYSA-N 296.823 3.708 30 20 CHED CCCCCCCN[C@H](CC(=O)N(C)C)c1ccccc1 775219562 XCGJZBJXSRNBHG-QGZVFWFLSA-N 290.451 3.766 30 20 CHED C#Cc1ccccc1C(C)=NNc1ccc(C(C)(C)C)nn1 1116370613 FZGGVGQJZLLBRB-UHFFFAOYSA-N 292.386 3.592 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1SC(F)(F)F 778126684 PWPXICPJQQKNMS-UHFFFAOYSA-N 289.322 3.947 30 20 CHED CC1(C)CCC(OC(=O)c2ccc(C#N)s2)CC1 774776159 AEIYWZVLBKMLFL-UHFFFAOYSA-N 263.362 3.745 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1cccc(F)c1F 776260036 VIFUNHYUQSWGQU-UHFFFAOYSA-N 296.708 3.553 30 20 CHED COC(=O)c1ccccc1NN=Cc1ccc([C@@H]2C[C@@H]2C)o1 776189772 SGMBRUDPTTYVBV-SMDDNHRTSA-N 298.342 3.636 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(CF)cc1 777541024 LKYHJWDSSFFGCT-UHFFFAOYSA-N 287.309 3.919 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cnn(-c2ccccc2)c1C 773007428 FZSIEMLLYMNUBF-UONOGXRCSA-N 269.392 3.796 30 20 CHED CCOCc1cc(C=NNCC(CC)CC)ccc1OC 774470901 DRSCPDSUOJMVSE-UHFFFAOYSA-N 292.423 3.591 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 885668177 TUFFYGQFNMVCJW-CZUORRHYSA-N 299.370 3.512 30 20 CHED C=C1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1 887610538 WHSXOMGEVMQYQT-UHFFFAOYSA-N 257.333 3.574 30 20 CHED C=C1CCC(C(=O)Nc2nc(-c3cccnc3)cs2)CC1 887653317 FFWRCXOAYCZRKK-UHFFFAOYSA-N 299.399 3.890 30 20 CHED C=CCCCCCOC(=O)C[C@H]1CSCCS1 784346093 DLUJVNCNBLVTIL-LBPRGKRZSA-N 274.451 3.515 30 20 CHED N#CC1(COC(=O)c2cc3occc3s2)CCCC1 780528379 DEBITKUXTUHPPP-UHFFFAOYSA-N 275.329 3.735 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 889969091 BZRMIZSHAPQNLS-MSOLQXFVSA-N 299.414 3.769 30 20 CHED CCCCCCCC(=O)Nc1ccc(OC2COC2)cc1 781745157 RXXONKVTOPJWBI-UHFFFAOYSA-N 291.391 3.763 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 780033820 ZBNCVBQESOWJOS-SWNWVQGVSA-N 296.414 3.677 30 20 CHED COc1ccc(NN=C(C)c2ccc(C)cc2C)nc1 780270305 FFLSTTHDFBVIIH-UHFFFAOYSA-N 269.348 3.543 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC[C@H](C)C[C@@H]2C)o1 783837971 SCFMBDBWESTDDS-QWRGUYRKSA-N 274.368 3.894 30 20 CHED C=C(C)CCC(=O)N[C@@H](CC)c1ccccc1OC 1120760016 LECYMFVPAAQIGV-AWEZNQCLSA-N 261.365 3.619 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccccc1Cl 1124294649 VNRNJRMJBXGNRD-UHFFFAOYSA-N 270.719 3.772 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1cc(O)ccc1O 782348785 UBJOWPXCXWVWCT-GORDUTHDSA-N 291.306 3.542 30 20 CHED CSc1ccccc1COC(=O)c1ccc(C#N)s1 781248491 NUXONHWHFWKVJM-UHFFFAOYSA-N 289.381 3.699 30 20 CHED C[C@H](C=NN1Cc2ccccc2C1=O)CCc1ccccc1 781594642 DMSLGLDASHNBLW-HNNXBMFYSA-N 292.382 3.897 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccnc(Cl)c1 787025377 GGRPXYJDUAXLHN-ZBEGNZNMSA-N 297.789 3.945 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1cccc(Cl)c1F 786287474 UVUIIARHIQSBKA-SNVBAGLBSA-N 286.730 3.504 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1ccc2cnccc2c1 782268321 KSOPDCGEFMFMPV-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccc2[nH]ncc2c1 783866820 KPTKIOUIULGWSB-NEPJUHHUSA-N 256.353 3.787 30 20 CHED Cc1ccc(C(=O)/C=C\c2scnc2C2CC2)c(O)c1 782348163 PYRAVZMGRZMGBS-SREVYHEPSA-N 285.368 3.931 30 20 CHED Cc1ccc(F)c(NN=Cc2scnc2C2CC2)c1 782249597 NWMDYMQLHJBFRX-UHFFFAOYSA-N 275.352 3.914 30 20 CHED CCC(=NNc1ccc2[nH]ncc2c1)c1cccc(F)c1 783524806 REDADQLDJWOIEP-UHFFFAOYSA-N 282.322 3.928 30 20 CHED COc1ccsc1C(=O)/C=C/c1scnc1C1CC1 782350726 CPRMYOZXRUXHFK-SNAWJCMRSA-N 291.397 3.987 30 20 CHED N#C[C@@]1(C(=O)Oc2ccc3cnccc3c2)CC12CCCC2 894443408 GTZINIZBAQBQGQ-GOSISDBHSA-N 292.338 3.614 30 20 CHED C=CCCN(C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 786437452 PVLGVMURKJYTRH-AWEZNQCLSA-N 274.408 3.647 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(C)c1snc(C)c1C#N 891426056 POAVJTOFYFYKTK-NWDGAFQWSA-N 291.420 3.502 30 20 CHED CC(C)c1nc(CN(CCC#N)Cc2ccco2)cs1 81518010 KKBDWQMTNQGCOD-UHFFFAOYSA-N 289.404 3.775 30 20 CHED CCc1cccc2c1OC/C(=C/c1ccc(O)cc1)C2=O 794727787 JSPSLHIIWOVZQF-UVTDQMKNSA-N 280.323 3.613 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCOc3ccccc32)cc1C#N 799356470 BOGDRICEFPNDDP-KRWDZBQOSA-N 293.322 3.547 30 20 CHED C#C[C@H](NC1CC(c2ccc(F)cc2)C1)C(C)(C)C 702280960 JIWSQASLTPXDGF-BCLQGDPASA-N 259.368 3.709 30 20 CHED C#CCN(CC)C(=O)c1ccccc1NC1CCCCC1 795160737 RBWXPSOFJPYEHO-UHFFFAOYSA-N 284.403 3.527 30 20 CHED COCCCON=C(C)[C@H](C)c1nc2ccccc2s1 795044195 LXESCLJPORLTBV-NSHDSACASA-N 292.404 3.829 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(CC)s2)c1 731013473 UXAOTRJFBKGUSY-UHFFFAOYSA-N 285.368 3.575 30 20 CHED C=CCN(CC(=O)Nc1ccc(F)cc1Cl)C(C)(C)C 661756412 NTMWWNSVFUSQQJ-UHFFFAOYSA-N 298.789 3.704 30 20 CHED Cc1ccc(/C=C2/COc3cc(F)ccc3C2=O)s1 794728232 MZZRSIZZOWCLKW-POHAHGRESA-N 274.316 3.854 30 20 CHED CC(=NNc1ncccc1F)c1ccc2cc(O)ccc2c1 794980492 MHLOBZUBOUPALR-UHFFFAOYSA-N 295.317 3.916 30 20 CHED CSc1ccccc1C(=O)Nc1cc(F)cc(C#N)c1 720283392 OQDSJBXHHFCOCR-UHFFFAOYSA-N 286.331 3.672 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)o1)c1ccc(F)cc1F 796144451 NWIMXHIXPJHLQI-ZDUSSCGKSA-N 291.253 3.738 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1ncccc1Cl 797787491 RCNYKVXPLAJBMR-UHFFFAOYSA-N 289.791 3.965 30 20 CHED COc1cccc(C)c1NCc1ccc(F)c(C#N)c1 194565197 MCPBUAVEDLTPSQ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1ccc(CNc2cccc(F)c2Cl)cc1 567082156 XAZIKSIASFSCFV-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@H]1c2ccc(Cl)n2CCN1Cc1ccc(C#N)cc1 787652511 MZDGSGQTGVAQEG-LBPRGKRZSA-N 285.778 3.590 30 20 CHED COc1cc(CN2CCCc3c(C)cccc32)ccc1C#N 1308678770 YBLOOYZBDHEPSX-UHFFFAOYSA-N 292.382 3.828 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@@H]2CCCC[C@H]2C1 1318531705 PSQCXZAXBCTHES-UWVGGRQHSA-N 281.812 3.685 30 20 CHED Cc1cc(C)c(/C=C\CN2CC[C@@](F)(C#N)C2)c(C)c1 1308687429 BNWVCLLLTWQBIT-VGOKWCNXSA-N 272.367 3.563 30 20 CHED Cc1ccnc(NCCCCOc2ccccc2)c1C#N 1323714588 DJCOJKWGGINPNN-UHFFFAOYSA-N 281.359 3.533 30 20 CHED C[C@](C#N)(NC(=O)CC(C1CC1)C1CC1)C1CCCCC1 1322882466 HPLXEXWNVFHRQY-GOSISDBHSA-N 288.435 3.791 30 20 CHED C#CC[C@H](NCCc1ccc(F)cc1F)c1ccccc1 1320886233 JAHRGDZWMSTYED-SFHVURJKSA-N 285.337 3.862 30 20 CHED Cc1cc([C@@H](C)NC(=O)CC#Cc2ccccc2)c(C)s1 1323857985 UZAKWGPWRKKYPE-CQSZACIVSA-N 297.423 3.984 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CC[C@H](C)c1ccccc1 1337717165 VXMYZIKGPXDSTJ-HOCLYGCPSA-N 272.392 3.721 30 20 CHED CC(C)CCOc1cc(C#N)ccc1Br 1189912372 JTUNQSWHJIOIEV-UHFFFAOYSA-N 268.154 3.746 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@H](Cc3ccccc3)C2)C1 1182498455 IQUBLRWFILIFIZ-XMTFNYHQSA-N 268.404 3.680 30 20 CHED CC[C@@](C)(C#N)c1nnc(-c2cccc(OC(F)F)c2)o1 1333121385 JLKHLGHTOJLSKZ-AWEZNQCLSA-N 293.273 3.529 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H]2CCC[C@H](F)C2)cc1 1349314444 SZADMSISPVHASE-BPUTZDHNSA-N 275.367 3.630 30 20 CHED Cc1cc(C#N)ccc1CN(Cc1ccccn1)CC(C)C 1198001521 RSEJPKSEXQRGJW-UHFFFAOYSA-N 293.414 3.920 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(NC(=O)CC)ccc1C 1345063392 DUXYCWPICSPARJ-CYBMUJFWSA-N 288.391 3.884 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cscc2C)s1 1264756050 OHVWETHBDSYRHT-UHFFFAOYSA-N 276.386 3.804 30 20 CHED C=C1CCC(C(=O)Nc2ccc3c(c2)CC[C@@H]3N(C)C)CC1 1262107218 GUEAQXIRJPOVSY-SFHVURJKSA-N 298.430 3.920 30 20 CHED C#CC[C@@H](NCc1nc(C)sc1C)c1ccccc1 1341740712 AOEZIGGHYPHUIV-OAHLLOKOSA-N 270.401 3.614 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc1-n1cccc1 1357608304 DYZZGACBPLXBQF-GDBMZVCRSA-N 294.354 3.635 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1csc(C#N)c1 1435034358 FABREEHAOJCSBY-BXUZGUMPSA-N 276.405 3.708 30 20 CHED C[C@H](OC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 1518198845 AFJBJNYNUHLPCH-YFPWBOGZSA-N 283.371 3.989 30 20 CHED Cc1cc(Sc2ncc(C#N)cc2Cl)ccc1C#N 1458443238 QRXZEDYKCYTKCC-UHFFFAOYSA-N 285.759 3.938 30 20 CHED N#CC[C@@H](OC(=O)Cc1cccc(C2CC2)c1)c1ccco1 1520425088 HVIVJHLMXJIFSK-QGZVFWFLSA-N 295.338 3.898 30 20 CHED Cc1cc(C)cc(/C=C/B2OC(C)(C)C(C)(C)O2)c1 307333395 BAOIHYSDKHELQJ-BQYQJAHWSA-N 258.170 3.948 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cc(C#N)c(F)cc1F 1477014740 FMSONPKYJVDCPC-UWVGGRQHSA-N 295.333 3.783 30 20 CHED N#Cc1cnnc(Oc2ccc(C3CC3)cc2Cl)c1 1612420093 ZMDJBOACZQCQBI-UHFFFAOYSA-N 271.707 3.671 30 20 CHED CC(C)[C@H]1CCCN(c2nc(C#N)c(Cl)s2)CC1 1472698045 IXODKJUYKPQXKL-JTQLQIEISA-N 283.828 3.931 30 20 CHED CCCCC1CCC(CNc2cncc(C#N)n2)CC1 1559080398 GHDTZFMXXNZEQF-UHFFFAOYSA-N 272.396 3.757 30 20 CHED CCN(CCc1ccc(C#N)cc1)c1cccc(F)c1 1559641861 SIVOPHQZLBOALY-UHFFFAOYSA-N 268.335 3.766 30 20 CHED N#CCc1cccc(NCc2cc3ccncc3s2)c1 1560475917 RTZVXSKVPMVPGL-UHFFFAOYSA-N 279.368 3.974 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1C 1562450361 MJUXKICRVTXDFQ-CABCVRRESA-N 285.391 3.815 30 20 CHED C=C(Cl)Cn1c(N(CCC)CCC)nnc1C(C)(C)C 1722557989 ZUZWGLHRPLKUFK-UHFFFAOYSA-N 298.862 3.955 30 20 CHED CC[C@H](C)CN(CC)c1nc(C#N)c(Cl)s1 1639570678 YNBUSGDDSDEVBI-QMMMGPOBSA-N 257.790 3.541 30 20 CHED N#Cc1cnc(Oc2cccc(C(F)(F)F)c2)c(F)c1 1649218056 FUQWPGGCXRQDDL-UHFFFAOYSA-N 282.196 3.903 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNc1ncc(C#N)cc1F 1642734447 GKWVVOXNRCPZOY-CHWSQXEVSA-N 261.344 3.721 30 20 CHED CC(C)C[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 1652899217 BQYHYBCTDATXOM-AWEZNQCLSA-N 274.383 3.955 30 20 CHED CCCOc1ccc(CN(CCC#N)C(C)C)cc1C 1658939883 HOMMPHVAMGAXAR-UHFFFAOYSA-N 274.408 3.908 30 20 CHED N#Cc1ccc2c(c1)N(CC1CCC(F)(F)CC1)CC2 1653167410 WELCLTINMDFXOH-UHFFFAOYSA-N 276.330 3.746 30 20 CHED CCc1cc(Nc2c(C#N)nnc3ccccc23)ccc1F 1651050009 GQMLVUNOFAVCBI-UHFFFAOYSA-N 292.317 3.947 30 20 CHED N#CCC1(CN2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1652421355 OYTGWKBDLDXGGL-QAETUUGQSA-N 272.436 3.971 30 20 CHED CC(C)Nc1ccccc1NC(=O)Cc1ccc(C#N)cc1 1584804704 IETPWYNBIZFBFS-UHFFFAOYSA-N 293.370 3.560 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1sccc1C#N 1673283123 SRUUZMARUUEJOW-SECBINFHSA-N 265.382 3.566 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@@H](C(F)(F)F)C2)cc1 1776014107 GZPKQQTWVWJJQW-SECBINFHSA-N 286.253 3.515 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1ccc(C(=O)O)cc1)C2 1777455644 IFSAFHHYWRVYLV-DHDCSXOGSA-N 278.307 3.516 30 20 CHED N#Cc1ccc(/C=C\c2nc3cc(C(=O)O)ccc3o2)s1 1777566450 GRBQSMANGSUXCA-XQRVVYSFSA-N 296.307 3.630 30 20 CHED COc1cccc([C@@H](C)Nc2ccc(C#N)cc2)c1 19951167 QPXDRDGXBHODFM-GFCCVEGCSA-N 252.317 3.740 30 20 CHED C#CCCCCNCc1ccc(OC(F)F)c(Cl)c1 150734711 YCUXKXQGGOHXFJ-UHFFFAOYSA-N 287.737 3.835 30 20 CHED N#Cc1cccc(-c2csc(NC(=O)CCC3CC3)n2)c1 161121214 NHSPERLLAYKNLG-UHFFFAOYSA-N 297.383 3.810 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H](c2ccccc2)C2CC2)n1 161883900 ZJWVASSDXHAMEH-CABCVRRESA-N 296.395 3.822 30 20 CHED Cc1cccc(CCC(=O)Oc2ccc(C#N)cc2F)c1 158152749 DCBNXPPOPFXLTJ-UHFFFAOYSA-N 283.302 3.544 30 20 CHED N#Cc1cc(CSc2ncc3ccccn23)ccc1F 158221656 JNRAWIRKBYEQRI-UHFFFAOYSA-N 283.331 3.637 30 20 CHED C[C@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 160529821 ZHKZDPPUAOYGDA-RDJZCZTQSA-N 299.418 3.863 30 20 CHED CN(CC1CCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 151362835 UXFNLYZTKNUBJH-KRWDZBQOSA-N 299.418 3.863 30 20 CHED C[C@@H]1/C(=C\c2ccsc2)C(=O)c2c(O)ccc(F)c21 7333215 UDSNDMCCOYHLJM-VSBFRKNKSA-N 274.316 3.976 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 155121676 RMFWNOWLDUJBTI-TUKIKUTGSA-N 292.810 3.865 30 20 CHED Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cn1 154269645 AAMZFARAOOVIHS-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C=C(C)CNC(=O)Nc1cccc(N2CCCCCC2)c1 157471370 CFBZKJABROKENI-UHFFFAOYSA-N 287.407 3.765 30 20 CHED N#Cc1cccnc1N[C@H]1C[C@@H]1c1c(F)cccc1Cl 156689367 XYGJCIFXNWXQAR-GWCFXTLKSA-N 287.725 3.714 30 20 CHED CCOc1ccc(NCc2cccc(C#N)c2)cc1 19902224 QKRZWTCZFCNJHW-UHFFFAOYSA-N 252.317 3.569 30 20 CHED CC[C@@H](C#N)Sc1nnc(NCc2ccccc2)s1 127075440 LUDQNBSOZXNOEH-NSHDSACASA-N 290.417 3.544 30 20 CHED C[C@H](C#N)CN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 248598230 IONXGGMULMBIBI-MUIFIZLQSA-N 256.393 3.708 30 20 CHED COc1ccccc1SCc1ccc(C#N)cc1F 41030569 GPXWSMICZNYLIY-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CCN(CCCOc1ccc(C#N)cc1)C1CCCC1 35766111 UZZMXFPFMOSAEG-UHFFFAOYSA-N 272.392 3.592 30 20 CHED C#Cc1cccc(NC[C@H]2CCOc3ccccc32)c1 161840351 SWKKOSVKUUZSGV-OAHLLOKOSA-N 263.340 3.646 30 20 CHED CN(C(=O)c1cccc(F)c1Cl)c1ccccc1C#N 165233871 POKJAQUPPHJVME-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(C(F)F)c1 285689542 QYOVJNHBNQHWSC-ZDUSSCGKSA-N 252.264 3.503 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2ccc(CC#N)cc2)C1 179202221 INUFPOWDGNPVDM-CQSZACIVSA-N 270.376 3.908 30 20 CHED N#Cc1cccc(NC(=O)CCSC2CCCC2)c1 60820572 SAKPWGOUHBYQLD-UHFFFAOYSA-N 274.389 3.563 30 20 CHED N#CCN(C[C@H]1CCC2(CCCCC2)O1)C1CCCC1 190973119 KZRXEDIWQUOIOL-MRXNPFEDSA-N 276.424 3.636 30 20 CHED N#CC1(NC(=O)c2cc3cc(F)ccc3s2)CCCC1 194390456 BEHOPBQIJJCZJC-UHFFFAOYSA-N 288.347 3.607 30 20 CHED COC1(CCOc2cc(Cl)cc(C#N)c2)CCC1 311088022 PYWNGGAHMDIHCJ-UHFFFAOYSA-N 265.740 3.550 30 20 CHED C=C(CC)CSc1nnc(C)n1Cc1ccccc1 540214627 FNXMPIFXRHBNMY-UHFFFAOYSA-N 273.405 3.693 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)c1cccnc1 340603316 JJFQMCZNBIREGG-HNNXBMFYSA-N 252.361 3.831 30 20 CHED C=CCN(CC[C@H](C)OCc1ccccc1)C1CC1 355262686 REOYNPRUMVSATB-HNNXBMFYSA-N 259.393 3.632 30 20 CHED C=C(CNCc1cc(F)cc(F)c1)c1ccccc1 677319967 JALAMWNIYRSIDQ-UHFFFAOYSA-N 259.299 3.768 30 20 CHED C(=NOCc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 755631251 GBXXLECORJFOSN-IRXDYDNUSA-N 251.329 3.993 30 20 CHED C#CCCOC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 858878583 DOEDSVAJSIRRGV-VIFPVBQESA-N 286.158 3.804 30 20 CHED O=C1c2ccccc2C(=O)N1N=CCC1CCCCCC1 799105231 PVMMRYJIVPHQQT-UHFFFAOYSA-N 284.359 3.629 30 20 CHED CC[C@H](CC(C)C)C(=O)N1CCCC(C)(C)[C@H]1C#N 410767855 OAEPTYLWNDZPKJ-ZIAGYGMSSA-N 264.413 3.599 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(F)cc(F)c1 106421940 NTQQVPQRUAYCAX-UHFFFAOYSA-N 280.318 3.557 30 20 CHED C=CCN(C(=O)c1ccc(OC)c(OC)c1)c1ccccc1 57566057 UNSPGXXRIRISSG-UHFFFAOYSA-N 297.354 3.537 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc3cc[nH]c3c2)c1 103027504 YMHIXBCPYNDHDF-UHFFFAOYSA-N 288.350 3.816 30 20 CHED N#Cc1cc(Cl)c(C(=O)Nc2ccncc2)c(Cl)c1 116895981 VEICGOABNQUZLR-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1ccc(Oc2ccc3ncccc3c2[N+](=O)[O-])cc1 112072335 MRIYFYJZEVFRJI-UHFFFAOYSA-N 291.266 3.807 30 20 CHED COC(=O)c1ccc(/C=C2\C(=O)c3cccc(C)c3[C@@H]2C)o1 179451679 YHUSRYCMOIEZHY-RLIURORJSA-N 296.322 3.758 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(SC(F)F)cc1 55081316 IAFIWSXQAMSNON-UHFFFAOYSA-N 283.343 3.816 30 20 CHED Cc1ncsc1CCOc1ccc(C#N)c(Cl)c1 61851349 YBKUYSMMGOGPLI-UHFFFAOYSA-N 278.764 3.598 30 20 CHED N#Cc1csc(/C=C2\CCc3c(O)cccc3C2=O)c1 176844868 JWHQIBRYMMKUGZ-YRNVUSSQSA-N 281.336 3.538 30 20 CHED COCCOc1ccccc1N[C@H](C)c1ccc(C#N)cc1 118443237 ALTJABPMDOFACS-CQSZACIVSA-N 296.370 3.757 30 20 CHED CCN(C(=O)[C@H]1C[C@@H]1C1CC1)[C@H](C)c1ccc(C#N)cc1 176665494 FQXGFIXOMWWKII-JLZZUVOBSA-N 282.387 3.514 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1[nH]c(C)c(C(C)=O)c1CC 179789815 SIIMVSXOUNJRSZ-LLVKDONJSA-N 290.407 3.563 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cnn(CC2CC2)c1 174485893 VLVGCMIQWRRQHC-UHFFFAOYSA-N 290.411 3.503 30 20 CHED CC(C)C[C@@H](C)CC(=O)N(C)Cc1ccc(C#N)cc1 67800856 RFIINSVJPMPRSP-CQSZACIVSA-N 272.392 3.589 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(SC(C)C)cc1 175996546 RORWQPFEITXQCP-LBPRGKRZSA-N 263.362 3.646 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccnc(Cl)c2)n1 63436504 YPFFNKXDEJMDBU-UHFFFAOYSA-N 289.791 3.911 30 20 CHED Cc1ccc(C[C@H](C)Nc2cccc(C#N)n2)c(C)c1 301294072 WMALPRITGKIMIM-AWEZNQCLSA-N 265.360 3.613 30 20 CHED COc1cc(C)ccc1CNc1ccc(F)cc1C#N 301621359 NFDPHPINGUCSDN-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC(C)(C#N)C(=O)N1CC=C(c2ccccc2Cl)CC1 120765434 MXRHXRPBKWRKMQ-UHFFFAOYSA-N 288.778 3.505 30 20 CHED CC#CCCCC(=O)Nc1ccccc1OCCC 184981104 OWUIVXRZYPQHNC-UHFFFAOYSA-N 259.349 3.608 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(C)cc1 122617982 NYZHKQZUFBFUKK-AWEZNQCLSA-N 257.377 3.941 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C(C)C)nc2)c1 122383950 HGNYIIWLQAZBRO-UHFFFAOYSA-N 292.382 3.853 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccccc1OC 181402614 HEMNZZRLUUVZRB-CQSZACIVSA-N 290.407 3.581 30 20 CHED Cc1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1 187222527 YWYKVUUFAGHCDX-RIYZIHGNSA-N 250.297 3.523 30 20 CHED Cc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1Cl 185898918 QPSDOEIWDAIFPE-OCCSQVGLSA-N 262.784 3.820 30 20 CHED Cc1cnc([C@H](C)NC2CC(C#N)(c3ccccc3)C2)s1 124007883 XWLYYEIGPOWEHG-KTAKPFMOSA-N 297.427 3.726 30 20 CHED COc1cccc([C@H](C)CC(=O)Nc2cccc(C#N)c2)c1 74625757 GBXAPUKYEWRKTC-CYBMUJFWSA-N 294.354 3.699 30 20 CHED O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)CCc2ccccc21 34872065 DEOMORNBLLGJQR-UKTHLTGXSA-N 295.294 3.513 30 20 CHED Cc1ccc(-c2ccc(C(=O)N(C)[C@@H](C)CC#N)s2)o1 180934055 OBZLSHFFWFSLCO-JTQLQIEISA-N 288.372 3.691 30 20 CHED COc1ccsc1C(=O)/C=C/c1cccs1 184770889 SLOFVMQBEOWTLG-SNAWJCMRSA-N 250.344 3.714 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C)c(C)n1 412299039 NJNMKKZDWADXGT-UHFFFAOYSA-N 294.398 3.917 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1csc(C)n1 120470830 TZSQASMLERAWEX-UHFFFAOYSA-N 285.416 3.735 30 20 CHED C=C[C@@H](CC(=O)NCc1cccs1)c1ccccc1 122682737 DAFTUFVBVNLPLN-ZDUSSCGKSA-N 271.385 3.724 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 413476322 VEFZWLPMYKVGCO-JZGRTCEGSA-N 296.414 3.769 30 20 CHED CCc1cccc(NC(=O)Nc2ccc(F)cc2C#N)c1 218169041 JHUXUGJJKWGJAX-UHFFFAOYSA-N 283.306 3.904 30 20 CHED Cc1cccc2[nH]c(-c3ccc(N(C)CCC#N)cc3)nc12 123854256 RTBQLGJDRZTVNH-UHFFFAOYSA-N 290.370 3.888 30 20 CHED C=C(C)[C@@H](N[C@@H]1CCSC1)c1ccc(F)c(F)c1 186453237 VIOCRRAMJVMORM-BXUZGUMPSA-N 269.360 3.677 30 20 CHED Cc1cnc([C@H](C)NCCCCC(C)(C)C#N)s1 235507020 ZFLLOILIHYFJNU-LBPRGKRZSA-N 265.426 3.822 30 20 CHED C=CCC[C@@H](NC(=O)Nc1cc(C)n(C)n1)c1ccccc1 122361296 VUVCUCHSRMJPQE-OAHLLOKOSA-N 298.390 3.558 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 503488621 BMDVRPICKFGGLP-HZMBPMFUSA-N 276.767 3.520 30 20 CHED CC[C@H](C)CN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412159959 ITAZFZBUHGWZPU-RRQGHBQHSA-N 284.403 3.556 30 20 CHED C#CCCCNC(=O)CCCc1cccc(C(F)(F)F)c1 186131165 SMQCHWMZAUOJNA-UHFFFAOYSA-N 297.320 3.558 30 20 CHED CCC(CC)S(=O)(=O)/N=C(\O)C[C@@H](CC)C(C)C 73838395 RKZGKNMEUBYTFD-LLVKDONJSA-N 277.430 3.534 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CC[C@@](C)(CC)C1 509009345 ASVVGSKZYAKQQB-XJKSGUPXSA-N 276.428 3.604 30 20 CHED CCc1nc([C@@H](C)NCc2ccc(F)cc2C#N)cs1 184717483 LTOSYGINEAHNAR-SNVBAGLBSA-N 289.379 3.567 30 20 CHED C=CCCCC(=O)NC[C@H]1CCCc2cc(OC)ccc21 184354128 UMFKREDVHIVBST-OAHLLOKOSA-N 287.403 3.588 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)cn1 184216628 OCPQZXZKIDXNSP-UHFFFAOYSA-N 281.359 3.610 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cccs1 78955538 QBJXPHJCUQZLEZ-UHFFFAOYSA-N 268.385 3.808 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1cc(F)ccc1C#N 158511582 XYROJIHHOLVRIW-NSHDSACASA-N 274.364 3.952 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(CC(F)(F)F)CC1 501417525 KYXMVWVQBWYBHQ-ZDUSSCGKSA-N 277.330 3.780 30 20 CHED Cc1ccc(C)c(CSc2ncccc2C#N)c1 78344177 ZOLNYUZCUVBNGQ-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C=CC[C@H](C)NC(=O)c1ccnc(SC(C)(C)C)c1 181985369 YUIMGPUAKTTWKA-NSHDSACASA-N 278.421 3.667 30 20 CHED C=CCn1cccc1C(=O)N[C@H]1C[C@H](c2ccccc2C)C1 410138552 GCXAYTSTGCRFTH-WKILWMFISA-N 294.398 3.659 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ccc(OC)c(O)c1 414537569 PKMAVFUIJGLDNM-QGZVFWFLSA-N 297.398 3.678 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2ccc(F)nc2)c1 186410430 MBJUEBCXIQQJBH-HWKANZROSA-N 255.292 3.734 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1cc(C)cc(C)c1 188593824 GWLOXUWGKPGEBV-CRAIPNDOSA-N 289.419 3.709 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(F)cc1Cl 509034647 QLNRBIXEHMULGN-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/CCc2c[nH]c3ccccc23)CCC1=O 328938816 RRCYNKSJXQKPAN-CHWSQXEVSA-N 298.386 3.672 30 20 CHED N#Cc1ccccc1OCc1ccc(Cl)c(F)c1 227300428 WILLYSGKEKQBJM-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC[C@H]1CCCN(Cc2cc(F)ccc2C#N)CC1 229959365 LTIHAAJFKLDUAM-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED N#CC1(CC[S@](=O)c2cc(F)ccc2F)CCCCC1 414227610 CSWVRLKQQKBGMR-FQEVSTJZSA-N 297.370 3.937 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)CC(F)(F)F 412655334 KXVSHSJKWPUNKN-JQWIXIFHSA-N 265.319 3.684 30 20 CHED N#Cc1ccc(NC(=O)c2cccs2)c(Cl)c1 225779197 BMIKKXVKVWDDAX-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1coc(-c2ccccc2)n1 135073069 PJIGPCKQHSDKPA-QGZVFWFLSA-N 284.359 3.560 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 44816646 VOPXHHASXGGLOM-STQMWFEESA-N 296.292 3.865 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C(/O)C[C@@H]1CCCC(O)=N1 329281294 ACGAFJFDLMTLHO-RWMBFGLXSA-N 298.452 3.906 30 20 CHED C=CCNc1ncc(C(=O)Nc2ccccc2CC)s1 136122570 HWMBEZLVIMZFME-UHFFFAOYSA-N 287.388 3.556 30 20 CHED Cc1ccc(C(C)(C)CNc2cc(C#N)ccn2)cc1 518809311 NSTMTKCMDATHJL-UHFFFAOYSA-N 265.360 3.651 30 20 CHED N#CC1(C(=O)Nc2cncc3ccccc23)CCCCC1 89765389 ZARSKTFVEYKXII-UHFFFAOYSA-N 279.343 3.647 30 20 CHED CC[C@@]1(C)Oc2ccc(N=C(O)C[C@@H]3CCOC3)cc2O1 329991157 JQCJMKHVHDRZBV-ZBEGNZNMSA-N 291.347 3.599 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)Cc1c(F)cccc1C#N 512747149 BSMBGBWFMITXBP-LBPRGKRZSA-N 290.382 3.571 30 20 CHED C=CCOc1ccc(CN[C@](C)(CC)CCO)cc1Cl 134469419 URAPZXYGYMCBOJ-MRXNPFEDSA-N 297.826 3.546 30 20 CHED C#CCSCCN[C@@H](c1ccccc1)c1ccc(F)cc1 226326420 GWGMVZSCGXTSMU-SFHVURJKSA-N 299.414 3.871 30 20 CHED CC(C)c1cccc2c1CCN(CCCCC#N)C2 191894134 UTRQXOLFELTBRQ-UHFFFAOYSA-N 256.393 3.862 30 20 CHED C=CCC1(C(=O)NCc2cccc(Cl)c2)CCC1 190369167 YPMACYAMGUYTSV-UHFFFAOYSA-N 263.768 3.703 30 20 CHED COc1c(C)ccc(N[C@H]2CCC[C@@H](C#N)C2)c1C 193073140 ZDNIOIPHISFRKY-KGLIPLIRSA-N 258.365 3.806 30 20 CHED C=C1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1 336350944 HQBWPJMSEHFOJY-UHFFFAOYSA-N 278.355 3.541 30 20 CHED C=CCN(CC=C)C(=O)CCCc1ccc(C)s1 429927720 SCLJYQPVSCFTJT-UHFFFAOYSA-N 263.406 3.580 30 20 CHED Cc1cc(Cl)c(NC(=O)NCC(C)(C)C#N)cc1C 334600661 SYCVWPBNUMXYCK-UHFFFAOYSA-N 279.771 3.628 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](OCCC)CC2)CCC1 191481087 IQBFHWCDFYHIGI-HNNXBMFYSA-N 279.424 3.541 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)s2)c(Cl)cc1F 334407805 IPONGIBEFMSZIS-UHFFFAOYSA-N 294.738 3.973 30 20 CHED C=C(C)CNC(=O)c1cc(C)n(C2CCCCC2)c1C 427940097 CBBODIXMFSGJIT-UHFFFAOYSA-N 274.408 3.916 30 20 CHED CCCN(C(=O)c1cccc(C#N)c1C)C(C)(C)C 337971607 UVZQXOBIHGOCQQ-UHFFFAOYSA-N 258.365 3.517 30 20 CHED N#C[C@H]1CCC[C@H]1NC(=O)Nc1cccc2ccsc12 332900527 NZCXDKFUJRKCSL-VXGBXAGGSA-N 285.372 3.715 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccncc1F 338019037 PEZZXEZCMKJBAE-MNOVXSKESA-N 287.313 3.643 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@]12CCC[C@@H]1C2 421458044 KRGMLVODMQQHRW-NVXWUHKLSA-N 261.409 3.772 30 20 CHED Cc1cc2occ(/C(O)=N/C[C@@H](O)C(C)(C)C)c2cc1C 331032243 UPVUGBNUKHHIMO-OAHLLOKOSA-N 289.375 3.761 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cc(Cl)ccc1Cl 426127428 ICLWYQPIRSRNIM-VIFPVBQESA-N 269.175 3.948 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC(CCC(C)C)CC1 331223498 LMGPASGSHYLIOL-UHFFFAOYSA-N 288.391 3.748 30 20 CHED C[C@H](Nc1nccnc1C#N)c1ccccc1C(F)(F)F 338725631 XOECVHZMNDRQDJ-VIFPVBQESA-N 292.264 3.540 30 20 CHED Cc1ccc2c(C(=O)N[C@@H]3CC[C@H](C#N)C3)csc2c1 335505874 YHCJGDHUFOBHBV-NWDGAFQWSA-N 284.384 3.632 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(O)c1 93872410 AJJCYXNRMUWNBX-MOPGFXCFSA-N 292.382 3.664 30 20 CHED COc1cccc(Cl)c1C/N=C(/O)N[C@@H]1CCC[C@H]1C 330374534 MVVXDYUXONVUHA-ZWNOBZJWSA-N 296.798 3.541 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 334726352 UBSZWWAGMLZYIJ-XXFAHNHDSA-N 297.383 3.662 30 20 CHED N#CCCCNC(=O)Nc1cc(Cl)c(Cl)cc1F 439983183 YMFVAEPMBCPVMH-UHFFFAOYSA-N 290.125 3.558 30 20 CHED CC(C)CCn1cc(C#N)c(=O)c2cc(Cl)ccc21 334456651 OITIAHFOVBHGIZ-UHFFFAOYSA-N 274.751 3.573 30 20 CHED Cc1cc(-c2nc3c(F)cccc3n2C)ccc1C#N 435698521 RNXPFDBQHARCLU-UHFFFAOYSA-N 265.291 3.560 30 20 CHED Cc1ccncc1[C@@H](C)NCCCCC(C)(C)C#N 618305276 YVQFPWLWGLDUFR-CQSZACIVSA-N 259.397 3.761 30 20 CHED CC(C)CC1(C(=O)NCc2cccc(C#N)c2)CCCC1 94816819 ZGLRQJFJNVUUIR-UHFFFAOYSA-N 284.403 3.781 30 20 CHED COc1ccc([C@@H](C)CCNc2cccnc2C#N)cc1 521947551 RBEOBCGJRIHHQK-ZDUSSCGKSA-N 281.359 3.568 30 20 CHED C[C@H](N[C@H](C)[C@H]1COc2ccccc21)c1cccc(C#N)c1 245933597 SVPPRSGNDFHMMT-PMUMKWKESA-N 292.382 3.774 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(C)nn1CCCCC 439442620 MDNBTLFLVGJHPV-AWEZNQCLSA-N 292.427 3.858 30 20 CHED C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@H]1C 245698326 BGUZVDDCLSQUPY-GJZGRUSLSA-N 272.392 3.599 30 20 CHED C[C@@H](CC#N)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 342116061 ORWHAAUJEAAIEG-LURJTMIESA-N 274.107 3.616 30 20 CHED N#Cc1ccsc1NC(=O)CCc1cc(Cl)cs1 346655736 UTXAZNUWCZUWHW-UHFFFAOYSA-N 296.804 3.906 30 20 CHED CCc1cccc(N(C)C(=O)C(C#N)(CC)CC)c1 529478440 SCNLWLXXDGSNPW-UHFFFAOYSA-N 258.365 3.542 30 20 CHED CCCN(Cc1ccc(C#N)cc1OC(F)F)CC1CC1 437131615 NDDQGLIFKLPQMP-UHFFFAOYSA-N 294.345 3.782 30 20 CHED C[C@@H](CN(C)CCOc1cccc(C#N)c1)c1ccccc1 524307494 GWQNFEQKKIIYKR-INIZCTEOSA-N 294.398 3.673 30 20 CHED C=CCOCCCC(=O)Nc1ccnc(-c2ccccc2)c1 346922118 SJDRBXFWUIHDGH-UHFFFAOYSA-N 296.370 3.670 30 20 CHED C[C@H](NCCCC#N)c1cc(Cl)ccc1OC(F)F 346802029 SSVKSVQXBNTKKB-VIFPVBQESA-N 288.725 3.896 30 20 CHED Cc1cc(OCc2ccn(-c3ccccc3)n2)ccc1C#N 434644775 IELPGTSYVJVUBY-UHFFFAOYSA-N 289.338 3.631 30 20 CHED COCC1(C#N)CCN([C@H](C)c2ccccc2Cl)CC1 341981539 CFMNICPWJZGUSK-CYBMUJFWSA-N 292.810 3.653 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccc(CC)nc1 347648918 YZMLLGMALSBKED-UHFFFAOYSA-N 296.414 3.841 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 529492448 UONYZAOVPATUHQ-STQMWFEESA-N 264.413 3.647 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1C 609431673 SUVWHHVADVJPBA-UTUOFQBUSA-N 274.389 3.675 30 20 CHED C[C@@H](C#N)C(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl 344059966 QSGZOXTZCUZWAH-QWRGUYRKSA-N 276.767 3.552 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nnc(C(CC)CC)s1 343993336 ZDZJJKGYDBBPBS-AWEZNQCLSA-N 281.425 3.983 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)cc1 299306912 CWNMPLQSTQRRBQ-SFHVURJKSA-N 262.356 3.644 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(C)(C)C(F)F 347992320 OYBGGLLVCOZWKS-UHFFFAOYSA-N 273.348 3.554 30 20 CHED CCN(C[C@H](C)CCC#N)[C@@H](C)Cc1ccsc1 602624837 OWHKWSXFAXCRKH-KGLIPLIRSA-N 264.438 3.941 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1cc(C)ccc1C 606902616 GDUKGITUHQFPOJ-UHFFFAOYSA-N 288.435 3.920 30 20 CHED N#Cc1cc2c(nc1NCC1(C(F)(F)F)CCC1)CCC2 343965373 NRHAWEMQUKTHIN-UHFFFAOYSA-N 295.308 3.586 30 20 CHED CN1CC[C@@H](NCC(C)(C)CCC#N)C[C@H]1c1ccccc1 340393473 PQJSIQQXIRVXNO-MSOLQXFVSA-N 299.462 3.741 30 20 CHED CS[C@@H](CNCc1ccc(C#N)c(C)c1)C(C)(C)C 443985319 GVUUDZYXZPFISP-HNNXBMFYSA-N 276.449 3.734 30 20 CHED CC(C)N(Cc1cn2ccccc2c1C#N)CC1CCC1 444769412 AZEWEYXAIOXQKM-UHFFFAOYSA-N 281.403 3.821 30 20 CHED N#Cc1ccccc1NC(=O)/C=C\Sc1ccccc1 255118791 SAAWOPXDCPWSAO-KHPPLWFESA-N 280.352 3.803 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 253381632 FKSQQGJOWAPEPI-SECBINFHSA-N 288.174 3.913 30 20 CHED N#C[C@H]1CC[C@H](n2cc(C3CCCCCC3)nn2)C1 600973358 MWSOIULPMPNLAB-JSGCOSHPSA-N 258.369 3.581 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2cccc(OC)c2)CC1 354320701 UAACNXAPCQGWKV-CYBMUJFWSA-N 273.376 3.619 30 20 CHED CC(C)c1cccc(C(=O)Nc2ccc(CC#N)cc2)n1 354499174 PLIUXUXXYXDVOQ-UHFFFAOYSA-N 279.343 3.523 30 20 CHED N#C[C@H](Sc1nnc(-c2cc3ccccc3o2)o1)C1CC1 601077945 CVMNUPOBKUIQOM-ZDUSSCGKSA-N 297.339 3.877 30 20 CHED C=CCOc1ccc(CN(C)[C@H](C)C2(C)CC2)cc1OC 355078499 IGGNLXZTDSXNSI-CQSZACIVSA-N 289.419 3.880 30 20 CHED Cc1cn(-c2cccc(NCC(C)(C)CCC#N)c2)c(O)n1 355559888 FOBCSDRICNMTAI-UHFFFAOYSA-N 298.390 3.628 30 20 CHED C=CCC[C@@H](CC)NCc1ccccc1Cn1ccnc1 268771354 PYQDDVNIHGPRMZ-GOSISDBHSA-N 283.419 3.766 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@H]2CCC(=O)[C@H]2C)CCCC1(C)C 357120028 HDPKOYVPWOOIOK-LZWOXQAQSA-N 291.435 3.585 30 20 CHED C=CCN(C(=O)Nc1cc(-c2ccccc2)ns1)C1CC1 539010754 LXFPYEYZZRWEBJ-UHFFFAOYSA-N 299.399 3.992 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@@H](C)C1 444142195 KGVOOEAVLXZWAX-NVXWUHKLSA-N 286.419 3.615 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(O)c(C)c2)CCCC1(C)C 444639618 ZJPHCRLIDANKRJ-MRXNPFEDSA-N 287.403 3.908 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCCc2c1cnn2C 359299657 HQEXNERYGGSEFL-ZFWWWQNUSA-N 261.413 3.522 30 20 CHED C=C(CC)CN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 536933633 HARWOQXQTFXVKT-OAHLLOKOSA-N 297.345 3.628 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)C1CC1 537933408 WLMGYNLMYXHBLC-VXGBXAGGSA-N 293.769 3.760 30 20 CHED C=CCCCN(C)C(=O)[C@H]1CCC[C@H]1c1ccccc1 449904366 WIXAPGKRNCZNRA-IRXDYDNUSA-N 271.404 3.995 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccccc1)C1CCCC1 533064586 MSVBRBNSJAKQSA-ROUUACIJSA-N 273.420 3.835 30 20 CHED Cc1cccc2c1CCN2Cc1cccc(C#N)c1F 611372436 WBKJITBQQZRNJW-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(CCOCC)CCCC2)C1 617782356 DGYQKLFHXDVXSM-MRXNPFEDSA-N 293.451 3.788 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCc1nccs1 264836271 YOXFKRQFGCPKMQ-UHFFFAOYSA-N 292.448 3.671 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccccc1C)[C@@H](C)COC 617579581 HMJQZTHSFNOTTF-HOTGVXAUSA-N 289.419 3.538 30 20 CHED CC[C@H](C)n1ncc(NCc2cc(C#N)n(C)c2)c1C1CC1 359673885 DSORSNYJDWCJMR-LBPRGKRZSA-N 297.406 3.554 30 20 CHED N#CCCCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 263970613 PYFQNKVVYJIMHN-OAHLLOKOSA-N 296.374 3.567 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N1CC[C@@](F)(C#N)C1 615665357 ZJWFINFPNXVHDT-DOTOQJQBSA-N 294.414 3.837 30 20 CHED C[C@]1(NCc2cccc(C#N)c2)CCCc2ccccc21 539798557 ZRLCLYSTHFNONU-IBGZPJMESA-N 276.383 3.900 30 20 CHED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)ccc1Cl 531581462 ORXCCEAIDZLJAK-ZBEGNZNMSA-N 290.794 3.851 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1cccc(C#N)c1F 459668356 PNRGNNPUYQHOGB-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)NCCCCC2CCCC2)C1 612132315 FGSMHOZJVKXOKA-KRWDZBQOSA-N 291.439 3.682 30 20 CHED CC(C)CCc1ccc(NC(=O)NC[C@H](C)C#N)cc1 531799899 ZHDSKUQNFOJCER-CYBMUJFWSA-N 273.380 3.556 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc([C@@H]2CCOC2)cc1 455672236 ZJRUXGPCGIULMP-CQSZACIVSA-N 288.391 3.524 30 20 CHED CCSCc1ccc(NC(=O)CCCC#N)cc1 456512364 ZZHZLLDQVWDHFC-UHFFFAOYSA-N 262.378 3.572 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(OC3CCCC3)c2)C1 532318911 XHCSSJJIBUDUJN-UHFFFAOYSA-N 298.386 3.886 30 20 CHED C=CCC1(NC(=O)C[C@@H](C)c2ccncc2)CCCC1 619108286 RGHWIBTUNILHJV-CQSZACIVSA-N 272.392 3.580 30 20 CHED CCCCN(C(=O)c1ccc(C#N)[nH]1)[C@@H](C)c1ccc(C)o1 611029720 UYYKTBWKTVEAGY-ZDUSSCGKSA-N 299.374 3.791 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(Cl)cc1C 454151684 CZKYPQYDSMTCJA-UHFFFAOYSA-N 266.772 3.982 30 20 CHED C=C1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 266017395 VIWIEDULVHYVQY-UHFFFAOYSA-N 272.323 3.633 30 20 CHED CCC1CCC(c2noc([C@]3(C#N)C[C@H]3C)n2)CC1 453140112 XMVKDVRQFGSIQZ-FLRBZUCHSA-N 259.353 3.555 30 20 CHED C=CC[C@H](CC)NCc1cc(Cl)c(O)c(OCC)c1 459531473 MONOVOHECIIEBK-LBPRGKRZSA-N 283.799 3.889 30 20 CHED C=CCCC1(CNC(=O)[C@]23CCC[C@@H]2C3)CCCC1 617418018 PNFVIXCTDQOYGO-PBHICJAKSA-N 261.409 3.819 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCCCC1(F)F 458909591 CBEIRPXNCSMXSG-STQMWFEESA-N 286.366 3.562 30 20 CHED Cc1cccc(-n2ccnc2SCC2(C#N)CCC2)c1 450721794 YASHGJCMEVZECW-UHFFFAOYSA-N 283.400 3.967 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(F)cc1OC(F)F 454875528 WBBKFOOAXQQSHS-UHFFFAOYSA-N 288.269 3.515 30 20 CHED COc1cccc([C@H]2C[C@H](C)CN2c2cc(C#N)ccn2)c1 367269772 IRCNPWZXMHCWCI-SUMWQHHRSA-N 293.370 3.549 30 20 CHED C[C@@H](C#N)CN(C)Cc1c(Cl)cccc1N1CCCC1 271700232 CNYKJMGKTDWJTF-ZDUSSCGKSA-N 291.826 3.532 30 20 CHED C=CCN(C(=O)c1cnc(C(C)(C)C)s1)C(C)(C)C 622943964 ZBLAJLMOEAVGLA-UHFFFAOYSA-N 280.437 3.867 30 20 CHED CC(C)C[C@@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)CCO1 272022417 NKKJNAXQJVYGLA-ZTFGCOKTSA-N 286.419 3.803 30 20 CHED C=CCSc1ccccc1C(=O)N(C)Cc1ccccn1 362404409 UIZSKWWWTWOUHK-UHFFFAOYSA-N 298.411 3.632 30 20 CHED N#Cc1cccnc1N[C@H]1CC[C@@H](c2cccc(F)c2)C1 360050610 BZXNACYIQAGEMN-CJNGLKHVSA-N 281.334 3.841 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1CCC(C)(C)C#N 271953805 BPOJYCUJVGOADA-ZBFHGGJFSA-N 256.393 3.804 30 20 CHED Cc1cc([C@@H](C)NC(=O)NCC(C)(C)CC#N)c(C)s1 457722037 COSHAOZEUKGEAL-LLVKDONJSA-N 293.436 3.665 30 20 CHED C=CCC1(C(=O)NCCc2scnc2C)CCCCC1 452701109 HXSMGDZPABVBEJ-UHFFFAOYSA-N 292.448 3.637 30 20 CHED Cc1nc(Sc2cc(C#N)ccc2[N+](=O)[O-])sc1C 545928964 DQZLZRRHZVVWJL-UHFFFAOYSA-N 291.357 3.691 30 20 CHED C=C(C)CCNC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 455114792 PZYLTPKCYIQKCR-JOCQHMNTSA-N 292.810 3.851 30 20 CHED C=CC[C@H](C)[C@H](C)NC1(c2ccc(OC)cc2)CC1 540723045 DHLZNPDKSGOEBB-KBPBESRZSA-N 259.393 3.875 30 20 CHED C=CCN(C)Cc1cnc(C2CCCCC2)s1 547990256 WRXOYWCUIDHICU-UHFFFAOYSA-N 250.411 3.809 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cscn1 271567298 XZXWLRJLFIYXNB-TZMCWYRMSA-N 271.389 3.839 30 20 CHED C=CCN(C(=O)COc1ccc(C(C)C)c(C)c1)C1CC1 540131892 AJXZRUATYHHBLW-UHFFFAOYSA-N 287.403 3.674 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 625758783 IKPDZTBKDUWLID-RCCFBDPRSA-N 283.415 3.777 30 20 CHED Cc1csc([C@@H](C)CNc2ncc(C#N)cc2Cl)n1 273320263 PCTHRFVESZWFDU-QMMMGPOBSA-N 292.795 3.587 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)c1ccc(C)cc1 466539106 ACOHSCDDWHEHFD-HNNXBMFYSA-N 259.393 3.744 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1C[C@H](C)CC(C)(C)C1 542238937 RUTVLJHKQGXBAT-ZIAGYGMSSA-N 266.429 3.809 30 20 CHED C=CCCC(C)(C)NC(=O)CSc1ccc(OC)cc1 620864043 NWDOMYUHAFHPRX-UHFFFAOYSA-N 293.432 3.648 30 20 CHED CC(C)c1ccc2occ(C(=O)N[C@H](C#N)C(C)C)c2c1 286455548 RYILOJBGSVMJSH-OAHLLOKOSA-N 284.359 3.834 30 20 CHED C=CC[C@@H](CC)NCc1cccc(Br)c1OC 466391616 XPNVIMZDSDZPTF-GFCCVEGCSA-N 298.224 3.902 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1csc2cc(C)ccc12 558835274 OPWHALSLYSQXBJ-HNNXBMFYSA-N 272.373 3.632 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](C)SC 280894989 MLZODQWBRLWRLZ-AWEZNQCLSA-N 292.448 3.526 30 20 CHED CC[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(C)cc1 464713224 RBJXWOVVHNJNDN-ZBFHGGJFSA-N 286.419 3.933 30 20 CHED CC#CC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 283132324 IFPOHQMNPRPKEK-HNNXBMFYSA-N 275.779 3.807 30 20 CHED CSc1ccc(CCNCC(C)(C)CCC#N)cc1 280763747 YVYJOKZWQDQZEK-UHFFFAOYSA-N 276.449 3.871 30 20 CHED Cc1ccc2c(c1)N(CCCC1(C#N)CCOCC1)CCC2 282037499 QQYVXLVDSUGVMU-UHFFFAOYSA-N 298.430 3.848 30 20 CHED CC(C)[C@H](C#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 463842147 XHLJWRFRWNDYOW-INIZCTEOSA-N 286.419 3.581 30 20 CHED C=C[C@H](CC(=O)Nc1cc2n(n1)CCCC2)c1ccccc1 286320054 XUWKKYZLVCMYEL-CQSZACIVSA-N 295.386 3.518 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2cccc(CSC)c2)no1 289202798 RTKNXQBPOHFTIS-HNNXBMFYSA-N 287.388 3.791 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 553920892 HLSYWYRRWUBODB-OFQRWUPVSA-N 272.392 3.744 30 20 CHED C=CCC[C@H](NCc1ccnc(C(F)(F)F)c1)C1CC1 296397852 KJYRHGVRXSURIJ-ZDUSSCGKSA-N 284.325 3.935 30 20 CHED C[C@@H](CC(=O)Nc1cc(C#N)ccc1NC1CC1)C1CC1 803316897 AJHQLOVWDNABIP-NSHDSACASA-N 283.375 3.507 30 20 CHED CCCC[C@@H](C)[C@H](C)NCCc1cccc(C#N)c1 558167026 WODVZWXCXMTLME-CABCVRRESA-N 258.409 3.905 30 20 CHED C=CCCCCNC(=O)Nc1ccc(-c2ncco2)cc1 473780888 CJANHYNTXQGJCM-UHFFFAOYSA-N 285.347 3.819 30 20 CHED C#C[C@H](C)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 809682904 IFAYYTSQTHTVJL-CQDKDKBSSA-N 281.321 3.953 30 20 CHED C#C[C@@H](C)NCCCCc1cccc(C(F)(F)F)c1 809684320 YLWKEKSMIOXIMX-GFCCVEGCSA-N 269.310 3.639 30 20 CHED C=CCOc1cccc(NC(=O)C[C@@H](OCC)C(C)C)c1 471340975 KPQYUJLRGPDLCC-MRXNPFEDSA-N 291.391 3.641 30 20 CHED CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 397576756 DPRIRTGZVLZGBW-XYJFISCASA-N 298.430 3.969 30 20 CHED CC[C@H](NCc1ccc(OCC#N)cc1)c1ccsc1 296672047 FXMJBMYMCBHNBY-INIZCTEOSA-N 286.400 3.891 30 20 CHED C=CCCCCNC(=O)N1CCC[C@](C)(CC)C1 474083350 PAJKSLCHZAHDEZ-HNNXBMFYSA-N 252.402 3.564 30 20 CHED CCC(CC)(CC)C(=O)OCCCC1(C#N)CCOCC1 800182346 CXONFDUQOKFPGP-UHFFFAOYSA-N 295.423 3.847 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC[C@H]2C[C@H]21 568298816 FAJNJJYJRNNNGM-IMJJTQAJSA-N 257.377 3.530 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H](C)C1CCCCC1)C(C)(C)C 808314970 OPXVNHSATXTLKS-UKRRQHHQSA-N 278.440 3.645 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)o2)c(C)c1OC 806571235 RZSYZVRDNMPTNI-SOFGYWHQSA-N 286.327 3.810 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)CC1 476588893 QJPUAYPEMDCQCQ-HOTGVXAUSA-N 293.451 3.833 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccncc1Cl 565175684 WPPYWQORFXNFRK-UHFFFAOYSA-N 283.762 3.559 30 20 CHED C#C[C@H](NC(=O)C1(c2cccc(C)c2)CCC1)C(C)(C)C 807879382 BNZZHINNOHLWKV-INIZCTEOSA-N 283.415 3.581 30 20 CHED CC(C)(C)SCCON=C1CCOc2ccccc21 802730734 YVYJKBDWRZNVEC-UHFFFAOYSA-N 279.405 3.722 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)Cc1nc2ccccc2s1 294754086 PMRUYBWAGBTQRE-LLVKDONJSA-N 288.416 3.556 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1OCC 473496267 NPFQVFNUCXSLID-UHFFFAOYSA-N 262.353 3.563 30 20 CHED C=CCC1(C(=O)N=c2cc(C)[nH]cc2C)CCCCC1 560201574 CTFGIVBKXHSKSA-UHFFFAOYSA-N 272.392 3.585 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1nc2ccccc2n1CC 293362944 KBSKPHQDMGBEDL-CYBMUJFWSA-N 299.418 3.836 30 20 CHED C[C@@H](NC(=O)NCC1(C#N)CCC1)c1cccc(C2CC2)c1 563640705 QJOXRFLPLIEFRX-CYBMUJFWSA-N 297.402 3.618 30 20 CHED C=C(C)CN(c1cccc(CO)c1)C1Cc2ccccc2C1 470872597 SZDXJLZBKDUTRN-UHFFFAOYSA-N 293.410 3.729 30 20 CHED C=CCCCCNc1ccc(C(=O)NCC)cc1C 563510657 WWPPNMVNHRHCLZ-UHFFFAOYSA-N 260.381 3.513 30 20 CHED CCCC[C@H](C)N(C)C(=O)CSc1ccc(C#N)cc1 565336379 JRNAZLJPQGCFLX-ZDUSSCGKSA-N 290.432 3.687 30 20 CHED C=CCC(F)(F)C(=O)N(C)CC(C)(C)c1ccc(C)cc1 815708324 POFQTSMFPSPXEQ-UHFFFAOYSA-N 295.373 3.942 30 20 CHED N#CCC[C@H](C#N)CNc1cccc(CC(F)(F)F)c1 567378949 VXYSNCDQFUJWDN-GFCCVEGCSA-N 281.281 3.647 30 20 CHED Cc1cccc(CC(=O)Nc2ccc(CC#N)cc2)c1Cl 486055086 TWDKOOAVYZJSNS-UHFFFAOYSA-N 298.773 3.896 30 20 CHED Cc1cccc(F)c1NN=C1COc2cc(F)cc(F)c21 814905009 KDJORNQOGMGXJL-UHFFFAOYSA-N 292.260 3.621 30 20 CHED C#Cc1ccccc1CC(=O)NC1CCC(C(C)C)CC1 810568536 BHNTZKOVZQXLGA-UHFFFAOYSA-N 283.415 3.541 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1cc(C)cc(C)c1 486691345 OZWWZAQHAHQTME-UHFFFAOYSA-N 284.384 3.903 30 20 CHED Fc1ccc(/C=C\C=NOCCC2CC2)cc1F 814247248 XYARYIPYUDYEAV-YXZRFDQFSA-N 251.276 3.781 30 20 CHED Cc1cc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)cc(C#N)n1 561226652 FSPCQGXMIQGRCT-XJKSGUPXSA-N 287.407 3.515 30 20 CHED Nc1nc(Cl)cc(NN=C2CCC3(CCCC3)CC2)n1 811646705 IPQGUOKQSNZHJU-UHFFFAOYSA-N 293.802 3.615 30 20 CHED Cn1cc(/C=C2\CCCC(C)(C)C2=O)c(C(F)F)n1 812243459 MQTIRAXEYJHPQB-VQHVLOKHSA-N 268.307 3.520 30 20 CHED C#Cc1ccccc1CC(=O)O[C@@H](C)c1ccc(Cl)cn1 810702799 TZDLFYLONVTHKP-LBPRGKRZSA-N 299.757 3.563 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)Cc1ccccc1Cl 815024299 YHGIQIHMDVWFKM-SNVBAGLBSA-N 287.737 3.599 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(C(F)F)c1 810599017 LEFPSQGHBTUEJD-UHFFFAOYSA-N 285.293 3.787 30 20 CHED C=CCC1(C(=O)N2CCCc3c(F)ccc(F)c32)CCC1 485733900 UJJCFBGRXISXIA-UHFFFAOYSA-N 291.341 3.990 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(c2ccccc2C)CC1 573996627 AWZSMTIESVUCFE-OAHLLOKOSA-N 286.419 3.849 30 20 CHED Cc1ccc(C)c(/C=C2\Cc3ccc(C#N)cc3C2=O)c1 811693441 ILJDDLHGGCFOIQ-LICLKQGHSA-N 273.335 3.998 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1oc(Br)cc1C 488865491 VKZLFVSHQMUUIG-JTQLQIEISA-N 298.180 3.531 30 20 CHED Cc1cccc2c1C/C(=C/c1cccc([N+](=O)[O-])c1)C2=O 729148999 CBERKAVWAANZOQ-JYRVWZFOSA-N 279.295 3.726 30 20 CHED C=CCCN[C@H](C)c1ccc(F)cc1OC(F)F 658117669 YHLXGTXMWVILKZ-SECBINFHSA-N 259.271 3.654 30 20 CHED CC(=NNc1ccc(F)cc1)[C@H](C)CCCCC(=O)O 814693376 MBXIXEAABYFWAP-LLVKDONJSA-N 280.343 3.895 30 20 CHED Cc1cc(C)c(C#N)c(SCCCC2CCOCC2)n1 570911412 MJWNUAWPFWQEEM-UHFFFAOYSA-N 290.432 3.869 30 20 CHED N#CC1(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 481204776 UVPYZBWLCHVSKP-IAGOWNOFSA-N 268.404 3.681 30 20 CHED CC(C)Oc1ccc(NC(=S)NN=C2CCCC2)cc1 727257800 FFXPFFUNFOLRGD-UHFFFAOYSA-N 291.420 3.690 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1cccc(C2CC2)c1 579148172 IMTWXFAQPFKWRR-CYBMUJFWSA-N 277.371 3.681 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@@H]2CCC[C@@H](C)C2)c1 726455640 DLSKVFSCVOIICB-CZUORRHYSA-N 286.444 3.875 30 20 CHED C#Cc1ccc(C(=O)O[C@H](C)c2ccc(Cl)cc2)nc1 729011243 FZVONXKBXLWRNU-LLVKDONJSA-N 285.730 3.634 30 20 CHED C=CC[C@H]1CCCN(Cc2c(C)nn(CCC)c2C)C1 668493021 IWINOCCEWAOSCS-INIZCTEOSA-N 275.440 3.698 30 20 CHED C=CCCCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] 580328262 PWYUUEMNCSCRGJ-AWEZNQCLSA-N 260.337 3.528 30 20 CHED Clc1cccc(Cl)c1C=NNC1CCCC1 727652739 XDZSSZFUUGJPOS-UHFFFAOYSA-N 257.164 3.860 30 20 CHED Cc1cc(Cl)ccc1/C=C/C(=O)c1cn(C(C)C)nn1 901528925 UTBXJDIKXURLCX-FNORWQNLSA-N 289.766 3.717 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 823894665 WCHVAMXXRYOOFA-ZIAGYGMSSA-N 299.422 3.652 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(C)CC(C)(C)C#N 497275264 JFKABJNNFRCBEL-HNNXBMFYSA-N 278.440 3.991 30 20 CHED CS[C@H]1CCCC(=NNc2ncnc3sccc23)C1 901155618 QARXFDYUXASFFN-JTQLQIEISA-N 292.433 3.765 30 20 CHED COc1ccc(C(C)=NNc2c(F)cccc2F)cc1 735615037 IRYYOTSTFZTPBK-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C=CCn1cccc1C(=O)N(CC)c1cccc(C)c1 490041815 HTQSWBUEPGTOOB-UHFFFAOYSA-N 268.360 3.649 30 20 CHED CC(C)C#CC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 825671867 QZXDUTJLEPKGMV-UHFFFAOYSA-N 297.320 3.716 30 20 CHED C#C[C@H](NCc1ccc(C)cn1)c1ccc(Cl)cc1 491754146 RKHGLYYXKNLXEO-INIZCTEOSA-N 270.763 3.508 30 20 CHED C#CCOc1ccc([C@@H](C)OC(=O)/C=C\c2ccco2)cc1 730431106 VVZGMVWZDNRWOU-IWMPZKFUSA-N 296.322 3.609 30 20 CHED C=CCCNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 661571630 ZBACCTQGNWIHSC-AWEZNQCLSA-N 278.783 3.763 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2c3cccc(F)c3CC[C@@H]2C)n1 587993576 YQMRNBSPVWNJTJ-QFYYESIMSA-N 296.349 3.531 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1ccc2c(c1)CCC2 734483176 JDTCMEAGWAPSSH-UHFFFAOYSA-N 297.402 3.581 30 20 CHED C=CCC1(NC(=O)/C=C/c2cncc(F)c2)CCCCC1 836957698 WRLKGGCCZCCBGE-VOTSOKGWSA-N 288.366 3.629 30 20 CHED COc1cccc(/C=N/C2C[C@H](C)C[C@@H](C)C2)c1O 739425937 HGOPPLVTZJYZAP-SYRODZOTSA-N 261.365 3.644 30 20 CHED Cc1ccc(F)c(CC(=O)OCCCC(C)(C)C#N)c1 838130268 MCKZPDHKEMYMHT-UHFFFAOYSA-N 277.339 3.550 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1NN=C[C@@H]1CCCSC1 835008899 KTROWYYPYVCFSR-VIFPVBQESA-N 299.783 3.789 30 20 CHED C[C@@H](C#N)OC(=O)CC1CCC(c2ccccc2)CC1 731097376 ATWLBQUMYUJWEM-HLIUYOAVSA-N 271.360 3.806 30 20 CHED C[C@@H](C=NOCC(F)(F)F)c1cc(F)cc(F)c1 834965302 MYTUOXAZSNUMKZ-ZETCQYMHSA-N 267.197 3.633 30 20 CHED CCCCCCCCC(=O)O[C@H](C)c1csnn1 836095562 JDKBYXZMGCKSIN-LLVKDONJSA-N 270.398 3.893 30 20 CHED N#CCc1ccnc(NC(=O)c2ccc(C3CCC3)cc2)c1 583059206 IFDIUVKIKHCVEB-UHFFFAOYSA-N 291.354 3.667 30 20 CHED C=CCC1(C(=O)OCc2cnc3ccccc3n2)CCCC1 835124654 QMAZJLQCGRCTHN-UHFFFAOYSA-N 296.370 3.810 30 20 CHED Cc1nc(-c2cccc(NC(=O)C#CC(C)(C)C)c2)[nH]c1C 837364489 ZODOTIBOYVACEC-UHFFFAOYSA-N 295.386 3.682 30 20 CHED C[C@H]1CN(c2cc(C#N)ccn2)CC[C@H]1c1ccccc1 583951777 QEVGXCRGPFKYNC-WMLDXEAASA-N 277.371 3.583 30 20 CHED CSc1cccc(N[C@H](C(=O)O)c2cccc(C#N)c2)c1 832789593 AACPFHUVOOFECO-HNNXBMFYSA-N 298.367 3.518 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1nc2ccccc2s1 834996866 WXUSFJKFBWZBQY-QMMMGPOBSA-N 287.310 3.561 30 20 CHED CCCNN=Cc1ccc(-c2c(F)cccc2F)o1 734365632 OAMYRLGZVLWVNL-UHFFFAOYSA-N 264.275 3.558 30 20 CHED C=C(Cl)CN[C@H](c1ccc(OC)cc1)C(F)(F)F 839546917 OSUOYVLFWAKHBU-LLVKDONJSA-N 279.689 3.641 30 20 CHED CC(C)(C)n1cc(/C=C\C(=O)c2coc3ccccc23)nn1 588580203 WUWMZJYSYXOIHB-HJWRWDBZSA-N 295.342 3.675 30 20 CHED CC(C)c1nccnc1NN=C1C[C@H](C)CC[C@@H]1C 834976693 GWAVJAYWAHOXNN-NEPJUHHUSA-N 260.385 3.824 30 20 CHED N#CCCCCCc1nc(-c2nccc3ccccc23)no1 588321386 ZMTIZABTEZJBNP-UHFFFAOYSA-N 292.342 3.911 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc(C(=O)O)cc2)o1 732762517 IKFIANMZAWQGPG-HZMBPMFUSA-N 284.315 3.547 30 20 CHED CC(C)[C@H]1CCCCC1=NN[C@@H](C)C(F)(F)F 835000661 LMZPTGITYBKQIO-VHSXEESVSA-N 250.308 3.729 30 20 CHED Cc1cccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1Cl 839053529 JHUUNADFSIYKMT-RYUDHWBXSA-N 277.751 3.888 30 20 CHED CCOc1cccc(/C=N/C[C@H]2CCc3ccccc32)c1O 731937675 MNQPERSRSHXBSK-OOWUWCJESA-N 295.382 3.940 30 20 CHED C=CCN(C(=O)Nc1ccc(C)cc1OCC)C(C)C 916713065 NORRJYBOHMVFMX-UHFFFAOYSA-N 276.380 3.822 30 20 CHED C#Cc1cccc(NC(=O)CCOc2ccc(C)c(C)c2)c1 912999580 TVISKYQEMWVGOH-UHFFFAOYSA-N 293.366 3.692 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ncc(F)cc2F)o1 835022465 KPMBXMIYRUYMCP-KWQFWETISA-N 277.274 3.522 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H]1CCCc1ccccc1 593538240 NEVSRDKHMHWQAQ-IAGOWNOFSA-N 284.403 3.550 30 20 CHED Cc1ccc2ncc(COC(=O)C3(C#N)CCCC3)cc2c1 836106543 OPKMJZPSRLCDPM-UHFFFAOYSA-N 294.354 3.670 30 20 CHED C=CCc1cc(CN2CCCCCCC2)c(O)c(OC)c1 915794918 YTXGKJGCLKTOJE-UHFFFAOYSA-N 289.419 3.895 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1scnc1Cl 919699969 ARGKMOBDRMGZTK-UHFFFAOYSA-N 298.820 3.686 30 20 CHED N#CC1(Cc2nc(Cc3cccc(F)c3)no2)CCCCC1 594734215 SXJFAMDLBRVPBD-UHFFFAOYSA-N 299.349 3.816 30 20 CHED C=CCNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 674904158 LARQJPWOBIFBFA-UHFFFAOYSA-N 284.281 3.652 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc(F)c(Cl)cc1Cl 594096777 ACFQADSZCBJPOZ-SSDOTTSWSA-N 289.137 3.507 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(CC(C)C)c1)[C@H](C)C#N 598363229 NSYWWYJZSVRMDV-HUUCEWRRSA-N 286.419 3.749 30 20 CHED Cc1c(C#N)c(SC/C=C\Cl)nc2c1CCC2 913596974 DTHLXSLMLDFTBI-UTCJRWHESA-N 264.781 3.595 30 20 CHED C#C[C@H](C)OC(=O)c1oc2ccc(Cl)cc2c1C 744181317 OGRSTFPBUNFBFM-QMMMGPOBSA-N 262.692 3.573 30 20 CHED Cc1nc(SCC2(CC#N)CC2)c2ccccc2n1 594902009 NQOUQCNDWOPYTJ-UHFFFAOYSA-N 269.373 3.724 30 20 CHED CCCC[C@@H](C(=O)Nc1cc(C)nn1CCC#N)C(C)C 598683392 FMKHEGMNURWABZ-CQSZACIVSA-N 290.411 3.506 30 20 CHED CC(C)C[C@H](NC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 913909751 JZDAAZBDJRCXDF-RDJZCZTQSA-N 299.418 3.719 30 20 CHED CCCOc1ccc(C=NNCc2ccccc2)cc1OC 916344625 WJJXQAUHMSNLIU-UHFFFAOYSA-N 298.386 3.608 30 20 CHED N#Cc1ccc(CCSCc2nccn2C(F)F)cc1 596342836 BLHRAYKKKYNHOZ-UHFFFAOYSA-N 293.342 3.626 30 20 CHED Cc1ccc2c(C=NNc3ccc(C(=O)O)cc3)c[nH]c2c1 917529779 VFOJHXXFNAJDOC-UHFFFAOYSA-N 293.326 3.621 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccnn1CC(C)C)C2=O 843269402 PVOLWKWTKYPFIX-XNTDXEJSSA-N 280.371 3.670 30 20 CHED N#CC[C@H]1CCCN(CCc2c(F)cccc2Cl)C1 595615720 RVFWFANMFGEFLI-GFCCVEGCSA-N 280.774 3.647 30 20 CHED C/C(=C\c1ccc(Cl)cc1)C(=O)NCC1(C#N)CCC1 841467358 PSOOGOLWEPQOOT-FMIVXFBMSA-N 288.778 3.553 30 20 CHED CCOc1cccc(C=NNc2oc(C(C)C)nc2C#N)c1 745613720 LZPPBBKKMFQXFX-UHFFFAOYSA-N 298.346 3.514 30 20 CHED CCOc1cccc(C=NNc2ccc(C)cc2)c1O 916250618 OKAWIAZUPBYBGI-UHFFFAOYSA-N 270.332 3.545 30 20 CHED Cc1nc2ccccc2c(N2CCC[C@H](CC#N)C2)c1C 596331073 XHHLLCWAHVEGDW-OAHLLOKOSA-N 279.387 3.982 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1cccc(O)c1 915050464 RDHRVPRMSSLKCX-UHFFFAOYSA-N 295.264 3.642 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@H](C)CCC(C)(C)C)n1 598855908 AKQCZCWIROIXKU-LLVKDONJSA-N 287.407 3.971 30 20 CHED C[C@@H]1CCCCCC1=NNc1nnc(-c2ccccc2)n1C 844575602 JEBGMGZCQZEUID-CYBMUJFWSA-N 297.406 3.850 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCc2ccc(C)cc21 684893477 HJTUBQKRIHVKER-GOEBONIOSA-N 272.392 3.636 30 20 CHED Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccccc1Cl 849240276 LSYSMCRAIPEUHK-HJWRWDBZSA-N 286.762 3.847 30 20 CHED CO[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)C1CCCC1 595093464 BBKJWXNHPCLSJK-RBUKOAKNSA-N 298.430 3.730 30 20 CHED C=CCN(C(=S)Nc1ccc(Cl)cc1)C(C)C 917589033 FZGKVYFQMDYVMG-UHFFFAOYSA-N 268.813 3.933 30 20 CHED C[C@H]1c2ccsc2CCN1CCc1ccc(C#N)cc1 595287836 NGQFLTKQJIUPOB-ZDUSSCGKSA-N 282.412 3.782 30 20 CHED CC[C@H](CN1CCC[C@@H](CC#N)C1)c1ccccc1 597175600 BSIOPNYHRZDGAA-JKSUJKDBSA-N 256.393 3.806 30 20 CHED CCOc1ccccc1C=NNc1cc(F)c(F)c(F)c1 747642397 OJAOIEYERGEZHG-UHFFFAOYSA-N 294.276 3.949 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCc2cc(F)ccc21 920175607 YNSOPGUGKLUTBA-BFERYNQYSA-N 255.292 3.638 30 20 CHED C#CCN(C[C@H]1CC1(Cl)Cl)[C@H]1CCc2ccccc21 747528830 OTHMVQQRWVYVEK-HIFRSBDPSA-N 294.225 3.803 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCOC1 743652427 VBIXZBNYFVKTKO-JKSUJKDBSA-N 298.471 3.803 30 20 CHED C#CCN(Cc1ccccc1F)[C@H]1CCc2ccccc21 742928029 HNWNTLDTQPURHA-IBGZPJMESA-N 279.358 3.948 30 20 CHED C=C(C)COC(=O)c1cc(Br)cn1C(C)C 744040511 IIWSUZNXSADXAS-UHFFFAOYSA-N 286.169 3.564 30 20 CHED C#C[C@H](NC(=O)[C@H](c1ccccc1)C1CC1)c1ccccc1 843644909 XLAYDZVLNDIBLM-RBUKOAKNSA-N 289.378 3.671 30 20 CHED C=C(C)CON=C1CCC(OC2CCCC2)CC1 844619165 CTOKBHJUQQMTNU-UHFFFAOYSA-N 251.370 3.837 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCSc1ccc(F)cc1F 849775617 OSNLYSJJRQXEFK-AWEZNQCLSA-N 299.342 3.540 30 20 CHED Cc1cccc(CNCCCCC#N)c1Br 921682134 AWDQCDXQTPQMED-UHFFFAOYSA-N 281.197 3.541 30 20 CHED O=C(/C=C/c1cc2cc(F)ccc2o1)c1ccc(O)cc1O 757473402 WZQDOJXZQILRBF-HWKANZROSA-N 298.269 3.879 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccc(C)cc2)c1 920942581 GSBIIZBEDOEXGQ-PDGQHHTCSA-N 269.344 3.718 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1ccc(F)c(Cl)c1 756838023 GVDCMHYAMFREDX-UHFFFAOYSA-N 298.148 3.786 30 20 CHED C=C(C)COc1cccc(NC(=O)c2coc(C3CC3)n2)c1 681598833 ZXGCLLNGXJXFMG-UHFFFAOYSA-N 298.342 3.759 30 20 CHED COCCC(C)=NNc1nc2ccc(Cl)cc2s1 853438854 QITSRMOLPIUEQH-UHFFFAOYSA-N 283.784 3.774 30 20 CHED C=CCCCCCn1c(C(F)(F)F)csc1=O 683738652 FOPZRFMBXVGXDJ-UHFFFAOYSA-N 265.300 3.675 30 20 CHED CC(C)(C(=O)OCc1cc(C#N)ccc1F)C1CCCC1 757839635 XTLBCZJQZBUHCS-UHFFFAOYSA-N 289.350 3.957 30 20 CHED Clc1cnc2oc(C=NOCC3CCC3)cc2c1 853440283 BPEXIMCQNOMQFZ-UHFFFAOYSA-N 264.712 3.632 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCc3ccc(Cl)cc32)n1 858836069 ULFKADXCXRPZGV-CQSZACIVSA-N 298.777 3.663 30 20 CHED Cc1cccc(C)c1OCC(=O)O[C@@H](C)CC(C)(C)C#N 851214186 ODFNYQJYBUAJAD-AWEZNQCLSA-N 289.375 3.554 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C1\CC[C@H](C)C1 753582987 VYTHYOYQQOEPGM-XOAFGZPJSA-N 269.388 3.948 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2ccccc2)C1 926344894 AGHFZGDQDSRNMH-BPUTZDHNSA-N 256.393 3.851 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@](C)(O)c1ccsc1 850436258 IOBVXCJSMTYNTP-FVQBIDKESA-N 279.449 3.680 30 20 CHED COc1cccc(/C=N/C[C@@H]2CCCC[C@H]2C)c1O 920387678 SJVDPZYMIDWKFV-GWMMYCTHSA-N 261.365 3.646 30 20 CHED Cc1ccncc1[C@@H](C)OC(=O)CC1(C#N)CCCCC1 850924131 DQOKIHVHONWEMX-CQSZACIVSA-N 286.375 3.858 30 20 CHED Cc1cc(-c2cnn([C@H]3CCCCO3)c2)cc(C)c1C#N 854206817 ASAWKPMECDUPGB-QGZVFWFLSA-N 281.359 3.738 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ccccc1F 921257444 ANGXHMUKWAIHTF-UHFFFAOYSA-N 254.308 3.897 30 20 CHED C#C[C@@H](CC)NC(=O)CCCOc1cccc2ccccc12 754354256 OERFGLFGWYHGGH-INIZCTEOSA-N 295.382 3.527 30 20 CHED C=CCCC(C)(C)NCc1ccc(O[C@H](C)C#N)cc1 850416805 DUBYADOVZTZLRP-CQSZACIVSA-N 272.392 3.812 30 20 CHED CCc1ccc2ccccc2c1CNC(=O)NCCCC#N 921906828 BEMBFVFXUKMMKR-UHFFFAOYSA-N 295.386 3.505 30 20 CHED CC1=CC(=NNc2ncccc2[N+](=O)[O-])CC(C)(C)C1 759203584 PSFOGNHDXXHKLO-UHFFFAOYSA-N 274.324 3.524 30 20 CHED C=CCCSCCN[C@@H](C)c1ccnc(Cl)c1 850504123 VDSMPKCVSWAILU-NSHDSACASA-N 270.829 3.695 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1coc(-c2ccccc2)n1 851210059 RBZQFIYTVPTPBF-LBPRGKRZSA-N 298.342 3.827 30 20 CHED C#CCCCCCc1nc(C(C)(C)c2ccc(C)cn2)no1 854125666 RXQOABDHSCMUAE-UHFFFAOYSA-N 297.402 3.835 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@](C)(CC)C(F)(F)F)C1 933518073 ZFGYHJYBOZDHJH-YPMHNXCESA-N 292.345 3.715 30 20 CHED N#CC1(CCCCN2CCOC[C@H](C3CCC3)C2)CCC1 930556350 VRYUZNSIGXNYOZ-QGZVFWFLSA-N 290.451 3.599 30 20 CHED C[C@H]1CC(=NNc2nc(O)c3ccccc3n2)CC[C@H]1C 767386152 SJTNJYINTQOLCG-MNOVXSKESA-N 284.363 3.559 30 20 CHED COc1ccc2oc(C=NNc3ccc(C#N)cc3)cc2c1 763353840 HYRGUTKPDRADFN-UHFFFAOYSA-N 291.310 3.759 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(F)c(Cl)c1 863178823 HHBNKYCGFVUBCQ-JTQLQIEISA-N 270.735 3.694 30 20 CHED CCCCCCCNC(=O)[C@@H](C)c1nc(C)cs1 862355307 HXKPDDKHCKJXOY-GFCCVEGCSA-N 268.426 3.642 30 20 CHED C#CCCCOC(=O)[C@H](c1ccccc1)[C@H](C)CC 766864755 YTNPYNORRJAFLG-ZBFHGGJFSA-N 258.361 3.773 30 20 CHED CCCCCCCSC[C@H]1CC2(CC2)C(=O)O1 762420876 DRLVTCGDLHFNPV-GFCCVEGCSA-N 256.411 3.786 30 20 CHED CC(C)c1cccc(C(=O)/C=C/c2cnc(N(C)C)n2C)c1 863195693 JIUFFUNJRLRKOF-MDZDMXLPSA-N 297.402 3.506 30 20 CHED C#CCCCSc1cc2c(cc1Cl)OCCO2 766290188 SYMLFOXWQPHXJA-UHFFFAOYSA-N 268.765 3.617 30 20 CHED CC/C=C\CCOC(=O)c1ccc(Cl)c(C#N)c1 767601237 ZKJJUWFSDXUTFV-ARJAWSKDSA-N 263.724 3.725 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccc(-c2ccccc2)s1 1115907078 MLCGLQBWRUHVGP-GFCCVEGCSA-N 284.384 3.647 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(C#N)s1 762446743 DOOAPOXKJREGDR-LLVKDONJSA-N 269.373 3.695 30 20 CHED CC(=NNc1cc(C)ccn1)c1nc2c(s1)CCCC2 761267306 QEHOJJPIBKIUKF-UHFFFAOYSA-N 286.404 3.561 30 20 CHED C=CCN(Cc1ccc(C#N)cc1Br)C(C)C 778212847 DDSAGRBYUZUOEV-UHFFFAOYSA-N 293.208 3.717 30 20 CHED N#C[C@@H](OC(=O)c1csc(C2CC2)n1)C1CCCCC1 776382636 GNOHGYIGVXHLFZ-CYBMUJFWSA-N 290.388 3.650 30 20 CHED CC(=NNCC(C)C)c1cc(Cl)c(N)c(Cl)c1 771568090 WEOKAOFGWFKQCI-UHFFFAOYSA-N 274.195 3.545 30 20 CHED C[C@H]1CCN(C(=O)/C=C\c2ccccc2C#N)CC12CCC2 771339010 LVKZDNPUGGYFHM-LZNQSLFOSA-N 294.398 3.610 30 20 CHED C=C(CC)COC(=O)c1cc(C)nn1C(CC)CC 775947345 FKCAUGPOCIWLFS-UHFFFAOYSA-N 264.369 3.676 30 20 CHED CC1(C)CC(=NNc2ccc(C(C)(C)C)nn2)C(C)(C)O1 1116249202 YQLXKBMJRAQIAJ-UHFFFAOYSA-N 290.411 3.520 30 20 CHED C[C@H](CC(=O)OCc1ccc(CC#N)cc1)c1ccccc1 776114377 VTGSHRVVCVFWGX-OAHLLOKOSA-N 293.366 3.990 30 20 CHED C=CCC[C@H](CCC)NC[C@H](O)c1ccc(C)cc1 774485815 GLKVUEYTENWHMC-IRXDYDNUSA-N 261.409 3.753 30 20 CHED C[C@H](C#N)OC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 772808317 UMDWYGHPSZHSEI-LMWIKNPDSA-N 275.392 3.828 30 20 CHED COc1ccc2nc(NN=C(C)c3ccco3)c(C)cc2c1 777910953 HLZLDBGTPBNDAW-UHFFFAOYSA-N 295.342 3.981 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)CCC(C)(C)C 779953237 BLGBSWKIUCZLFW-AWEZNQCLSA-N 251.414 3.901 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](CCC#N)c1ccccc1 879256045 VPWSSOPZIBCJLS-HNNXBMFYSA-N 270.376 3.750 30 20 CHED CCC(=O)c1c(Cl)cccc1NCCCC#N 872507765 MNGKHRZDPFXFLM-UHFFFAOYSA-N 250.729 3.648 30 20 CHED CC1(C)CCC[C@H]1C(=O)OCc1cccc(C#N)c1F 772597663 AHYMKTIDTXRPPY-ZDUSSCGKSA-N 275.323 3.567 30 20 CHED C[C@H](C#N)CNN=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 771101479 ZOVOCMIOIYPXSE-FMKPAKJESA-N 269.392 3.695 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H](Nc2ccccc2)C1 879174595 DCJKUPMMPRJSQZ-INIZCTEOSA-N 286.419 3.692 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(Cl)c(Cl)c1 1116642908 DNDNDOVLAHYLJZ-GXSJLCMTSA-N 274.191 3.845 30 20 CHED CC[C@H]1CCCCC1=NNc1nc(O)c2ccccc2n1 779774990 RINNYJFNXSJDID-NSHDSACASA-N 284.363 3.704 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3C=CCCC3)[nH]c12 778648619 AVJAKDOKYFOKCW-UONOGXRCSA-N 293.370 3.794 30 20 CHED Cc1ccc(CCC(=O)Nc2cc(C#N)ccc2F)c(C)c1 1129715967 WSSRWIUWUDALLR-UHFFFAOYSA-N 296.345 3.886 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1nccnc1C(C)C 773090924 KRGVSRCHGSSDII-UHFFFAOYSA-N 298.390 3.726 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCCN(C)CC1 775144825 WZRAPXYZYUGSQA-KRWDZBQOSA-N 296.499 3.927 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cscn2)c1 774135870 UILVFLHOBPBSIM-BQYQJAHWSA-N 257.358 3.992 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCc2c(C)cccc21 772987974 NLICDIAEHXKUFN-IBGZPJMESA-N 291.394 3.784 30 20 CHED C[C@H]1CC[C@@H](C)N1c1nccc(Oc2cccc(C#N)c2)n1 882083562 CDLYDZCHQLKUSX-BETUJISGSA-N 294.358 3.518 30 20 CHED C#CCC1(C(=O)N2CCc3c(C)cccc32)CCCCC1 788185836 BDLSHLVKGFADJG-UHFFFAOYSA-N 281.399 3.858 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H]2CCCC[C@@H]2C)n1 783850682 WABRSQHKCBEVLK-ONGXEEELSA-N 266.776 3.662 30 20 CHED C=C/C=C/CCON=C(C)c1ccc(NC(C)=O)cc1 882949876 KZEFYUCLOJABEQ-HASVTTKBSA-N 272.348 3.518 30 20 CHED CCC(Cc1cccs1)=NNc1ccnc(F)c1 781128375 VNSSZRTZAHHWHO-UHFFFAOYSA-N 263.341 3.703 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@H]2C2CCCCC2)n1 500261694 LIDUEAODFCHJGS-GJZGRUSLSA-N 255.365 3.642 30 20 CHED CCOCCC=NNC(=S)Nc1ccccc1C(C)C 788427584 PEDBCBJIWUTBBF-UHFFFAOYSA-N 293.436 3.509 30 20 CHED CC/C(C)=C(\C)C(=O)N(CCC#N)c1ccc(C)cc1 780916595 XYNMMPSVWHHEKO-CCEZHUSRSA-N 270.376 3.988 30 20 CHED C#Cc1ccc(CN[C@H](c2ncc(C)s2)C2CC2)cc1 787772185 HKINMLGRQITSIR-INIZCTEOSA-N 282.412 3.674 30 20 CHED CCC(=NNc1ncncc1Cl)c1cc(F)ccc1F 780282679 NWCBUFOOWLIPGC-UHFFFAOYSA-N 296.708 3.634 30 20 CHED Cc1cccc([C@H](C)OC(=O)Cc2cccc(C#N)c2)c1 783999696 FQPAPQSPUYKGJF-AWEZNQCLSA-N 279.339 3.714 30 20 CHED Cc1cccc2cc(C(=O)OCC3(C#N)CCCC3)oc12 780531978 CKTFGLOPFLRKND-UHFFFAOYSA-N 283.327 3.982 30 20 CHED C=C[C@@H]1CCCCN1C(=S)N[C@H](C)c1ccccc1 782407586 JFNQRFRLJFSCLV-UKRRQHHQSA-N 274.433 3.663 30 20 CHED N#CC1(OC(=O)CCOc2ccc3ccccc3c2)CCC1 780421561 OADDYBNSOYXKBL-UHFFFAOYSA-N 295.338 3.598 30 20 CHED C=CC1(OC(=O)Cc2csc(Cc3ccccc3)n2)CC1 893365106 GRTMPERJIXWLBM-UHFFFAOYSA-N 299.395 3.538 30 20 CHED Cc1cc(CN2CCC[C@@H]2C(C)(C)C)ccc1C#N 1560667925 WDWMPQJDQRQJBM-MRXNPFEDSA-N 256.393 3.877 30 20 CHED CC[C@@H](C#N)OC(=O)c1c(C)[nH]c2ccc(Cl)cc12 781198111 RABVNSJINDXUFX-JTQLQIEISA-N 276.723 3.589 30 20 CHED Cc1ccc2c(c1)CCN2Cc1ccc(CC#N)cc1 784264032 UGDBZVGMKOVMAG-UHFFFAOYSA-N 262.356 3.624 30 20 CHED CCCCC[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1 76085363 IXYLVGSQZUEABH-CYBMUJFWSA-N 273.380 3.843 30 20 CHED Cc1cccc2c1C/C(=C\c1cnn(C3CCC3)c1)C2=O 899353688 VZHWOQOQCYWHMV-RIYZIHGNSA-N 278.355 3.739 30 20 CHED C[C@@H](NN=Cc1coc(-c2ccccc2)n1)C(C)(C)C 793116508 SYLWZYFOTOHCGX-GFCCVEGCSA-N 271.364 3.700 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1cnc2ccccc2c1 795806461 WXMUFYIEMGGOFM-UHFFFAOYSA-N 296.370 3.650 30 20 CHED Cc1cccnc1NN=Cc1ccc(C(C)C)c([N+](=O)[O-])c1 790185576 GHWQUPVPZDAHJV-UHFFFAOYSA-N 298.346 3.868 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 792940073 PMMTVXOEFJEFKI-UHFFFAOYSA-N 299.761 3.788 30 20 CHED C[C@@H]1CN(c2cccc(F)c2C#N)[C@H]1c1ccccc1 301485733 ZIORNCLYYDFWQK-SJKOYZFVSA-N 266.319 3.895 30 20 CHED C[C@H]1CN(c2cccc(F)c2C#N)[C@H]1c1ccccc1 301485734 ZIORNCLYYDFWQK-YVEFUNNKSA-N 266.319 3.895 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C/c2cn(CC)nn2)cc1 899387416 LPYZKEOOGCULTM-NHAQELONSA-N 283.375 3.708 30 20 CHED N#Cc1cc(=Nc2cccc(-c3cccs3)c2)cc[nH]1 1206639347 LAVCLRZUEPUVDB-UHFFFAOYSA-N 277.352 3.847 30 20 CHED CC1(C)CCc2ccccc2C(=NOC[C@H]2CCOC2)C1 797788972 WBGZTIIAAGPMRY-AWEZNQCLSA-N 287.403 3.806 30 20 CHED C=CCNN=Cc1ccc(-c2ccccc2F)s1 795003189 GGTAPWHUGPNTLW-UHFFFAOYSA-N 260.337 3.664 30 20 CHED CCN(CC[C@H]1CCCO1)[C@@H](C)c1ccc(C#N)cc1 188871622 FLBRQBCKFRFRKH-WMLDXEAASA-N 272.392 3.510 30 20 CHED C(=NOCCCCC1CCOCC1)c1cccs1 799173952 HVOJSASLQOPFOI-UHFFFAOYSA-N 267.394 3.696 30 20 CHED Cc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)cc1C#N 799372093 ORTRNLQPJXSEEX-ZDUSSCGKSA-N 298.308 3.574 30 20 CHED C#C[C@@H](CCC)/N=C/c1c(O)ccc2ccccc12 790100668 XJNIIGFRBREOKX-QCUKBLKESA-N 251.329 3.766 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cncc(Br)c1 576293374 TZYJLILLOXWKMF-JTQLQIEISA-N 283.213 3.707 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 79054623 AUOUTHGTZCQPCL-CYBMUJFWSA-N 260.356 3.709 30 20 CHED C#CCN(C(=O)c1ccc(C)c(C)c1)C1CCCCC1 688806814 ZCGRINZILFIOCF-UHFFFAOYSA-N 269.388 3.712 30 20 CHED COc1ccccc1COc1c(C)cc(C#N)cc1C 88154115 VXOYVJLHFSGSDP-UHFFFAOYSA-N 267.328 3.763 30 20 CHED C#CCN(Cc1ccc(C#N)cc1C)C1CCCCC1 776788721 SVZIURRPGHMTDS-UHFFFAOYSA-N 266.388 3.635 30 20 CHED C=C(Cl)CNCc1cccc(OCC)c1OC(F)F 1308283271 TUCVOHUIYBTXLN-UHFFFAOYSA-N 291.725 3.529 30 20 CHED Cc1nsc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1C#N 1306949793 UGQHBPDLBZFRNC-VXUPGSCNSA-N 273.405 3.560 30 20 CHED Cc1cc(N2CCC[C@H](Cc3ccccc3)C2)c(C#N)cn1 1306958964 MCRJBRVXAPYAGV-QGZVFWFLSA-N 291.398 3.721 30 20 CHED N#Cc1cnc(NCc2ccc(C(F)(F)F)cc2)c(F)c1 1162037361 DVQPNXOVQJTCKK-UHFFFAOYSA-N 295.239 3.723 30 20 CHED CCCCCCCOC(=O)Cc1c[nH]c2cnccc12 1324910578 MLHYTPMFUQHGON-UHFFFAOYSA-N 274.364 3.619 30 20 CHED Cc1cc(-c2nnc(-c3ccc(C#N)cc3)o2)c(F)cc1F 1328350051 WLCDMOHZVXCJLJ-UHFFFAOYSA-N 297.264 3.862 30 20 CHED CC(C)(C)Cc1nnc(C[C@H](CC#N)c2ccccc2)o1 1326554926 WMSQRDHIUVNJAV-AWEZNQCLSA-N 283.375 3.898 30 20 CHED COc1cc(/C=C2/CCc3ccc(O)cc3C2=O)ccc1F 1321075234 WYBOFARWTUTZIW-JYRVWZFOSA-N 298.313 3.752 30 20 CHED N#Cc1cc2c(nc1OCCc1ccccc1)CCCCC2 1189960556 TXBFJNMSLLWOGF-UHFFFAOYSA-N 292.382 3.844 30 20 CHED C#CCCCCCCNc1ccc2c(c1)CN(C(C)=O)C2 1331724926 IRQLTXYVQBTFQL-UHFFFAOYSA-N 284.403 3.544 30 20 CHED COc1ccc([C@H](C)COc2ccc(C#N)cc2F)cc1 1188961680 XNYBBQIEHQOMAB-GFCCVEGCSA-N 285.318 3.888 30 20 CHED Cc1coc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1C 1261372682 DEYZMUVXCPXUDS-MRXNPFEDSA-N 294.354 3.576 30 20 CHED COc1cccc([C@H](C)C(=O)O[C@@H](CC#N)c2ccco2)c1 1346720508 TUMHZHODQYWDNV-LRDDRELGSA-N 299.326 3.590 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)O[C@H]1CC[C@H](C#N)C1 1347231131 NJXNOEMBIVIXFT-KKUMJFAQSA-N 263.381 3.994 30 20 CHED CCOc1cccc([C@@H](CC)OC(=O)C(C)(C)C#N)c1 1355122467 BWIFRMYXYJAUDT-CQSZACIVSA-N 275.348 3.629 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1F 1352951627 JNSPWTBTALIPFH-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1ccc(OC)c(C#N)c1 1438665712 QAVIPEQGPDRVHJ-CYBMUJFWSA-N 288.391 3.968 30 20 CHED CCN(CCSC)c1ccc(C#N)c(Br)c1 1458473446 JASKDDKMDXGUKW-UHFFFAOYSA-N 299.237 3.510 30 20 CHED Cc1ccc(C)c(NCc2cccc(C#N)c2F)c1 223725244 VWEZVZGIKMHXEX-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(C)c1cccc(CNC(=O)c2cc(C#N)ccc2F)c1 1538913961 AQWYPYDDYBAFHL-UHFFFAOYSA-N 296.345 3.751 30 20 CHED Cc1ccc(F)c(COC(=O)c2cccc(C#N)c2C)c1 1460101980 VRVPQVFDNFMZOY-UHFFFAOYSA-N 283.302 3.671 30 20 CHED N#Cc1cc(F)c(NCc2cc(F)ccc2F)c(F)c1 112828010 ULJZACRDRMGWOQ-UHFFFAOYSA-N 280.224 3.727 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2c3ccccc3CCC[C@H]2C)n1 1472752246 HKRNGHTVBWZXGM-XIKOKIGWSA-N 292.386 3.782 30 20 CHED COc1ccc(CNc2nc(C#N)c(Cl)s2)c(C)c1 1472723493 ITQQODFSADIOJA-UHFFFAOYSA-N 293.779 3.597 30 20 CHED COC(=O)[C@H](Sc1ccc(C#N)cc1Cl)C(C)(C)C 1559387150 OOHGBTGXTWYTRV-LBPRGKRZSA-N 297.807 3.891 30 20 CHED CCC1(C)CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 1626216287 RREGDUGNBNYAGI-QGZVFWFLSA-N 298.430 3.798 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCCC[C@@H]2c2ccccc2)C1 1560898001 UVROVLWGPWETBK-HPBDAGMYSA-N 268.404 3.995 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cccc(Br)c1 119362360 UMGMZPBFEZDYGS-UWVGGRQHSA-N 254.171 3.674 30 20 CHED Cc1nc(C#N)cc(Nc2ccc(CCC(C)C)cc2)n1 1639375325 UPPFWUOPJNSXRF-UHFFFAOYSA-N 280.375 3.989 30 20 CHED CN(C(=O)[C@H](C#N)CCc1ccccc1)[C@@H]1CCC(C)(C)C1 1640041860 YJFZURVCNYVIIP-DLBZAZTESA-N 298.430 3.796 30 20 CHED Cc1cc(C)c2cc(NCc3cccc(C#N)n3)ccc2n1 1561008113 PZZKERBGSYHLOB-UHFFFAOYSA-N 288.354 3.730 30 20 CHED C[C@H](C(=O)N1CCC[C@@H](CC#N)C1)c1cc2ccccc2o1 1641297081 YSVXYNPJOOEXAZ-KBPBESRZSA-N 296.370 3.689 30 20 CHED CN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@@H]1CCC(C)(C)C1 1640041861 YJFZURVCNYVIIP-IAGOWNOFSA-N 298.430 3.796 30 20 CHED C=CCCCCCN(C)Cc1ccc(/C=C/C(=O)O)o1 1573367109 RWIAURJORJHYMZ-ZHACJKMWSA-N 277.364 3.556 30 20 CHED C[C@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 1659756196 MFIUCCIKUFZTFQ-KXBFYZLASA-N 291.398 3.926 30 20 CHED C=CCCCSc1cccc(-c2nn[nH]n2)c1Cl 1588603570 PGDVQHXUFXOUAR-UHFFFAOYSA-N 280.784 3.578 30 20 CHED C=CCC1(C(=O)Nc2cc(C(=O)O)ccc2C)CCCC1 1588765331 XRRCYIXAHWDSTK-UHFFFAOYSA-N 287.359 3.768 30 20 CHED CC(C)C[C@@H]1COCCN1CCC1(C#N)CCCCC1 1653399233 RUVIJEFSZKJOOQ-MRXNPFEDSA-N 278.440 3.597 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 1657570945 NFMDAKHTFIAGRH-GJZGRUSLSA-N 285.391 3.895 30 20 CHED N#Cc1cc(Cl)cc(OCc2cnc3ccccc3n2)c1 1652868241 CAWRMKPBNNASPP-UHFFFAOYSA-N 295.729 3.734 30 20 CHED C#CCCCCCCN[C@H](c1ccccc1)[C@H](C)C(=O)O 1588441377 GBEQGEMOXVAKKT-RDJZCZTQSA-N 287.403 3.622 30 20 CHED N#Cc1ccc(C2CCN(CCC3CCC3)CC2)cc1 1660381427 FYTXQFCMSWXLHZ-UHFFFAOYSA-N 268.404 3.928 30 20 CHED CC(C)C(C)(C)S[C@@H](C(=O)O)c1ccc(C#N)cc1 1590968596 RDGLZYKBNOWGRQ-CYBMUJFWSA-N 277.389 3.852 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@H]2CCCC(C)(C)C2)C1 1776153637 PJGITYOQCCZYRV-MAUKXSAKSA-N 293.451 3.946 30 20 CHED Cc1cc2c(s1)C/C(=C/c1ccc(C(=O)O)cc1)C2=O 1777428128 UGRUSSSQQSCUQD-GHXNOFRVSA-N 284.336 3.577 30 20 CHED C=Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc1 1776194431 GPNZRDIAVMCHDW-BQYQJAHWSA-N 284.336 3.985 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc(C(=O)O)c(F)c1 1776074975 FHISFMZAXOFBKL-SECBINFHSA-N 278.327 3.748 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1csc(C(=O)O)c1 1776056783 PFMRQNCNSXAPQB-ZDUSSCGKSA-N 294.420 3.729 30 20 CHED C=C(C)CCCN1CCC[C@H]([C@@]23CC[C@@H](C2)[C@H]3C(=O)O)C1 1776139265 XQSKMLBUXTWSCS-NBOOPKSLSA-N 291.435 3.556 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)Cc1ccc(C)s1 150782211 XHHNOYPXJHDQRT-LBPRGKRZSA-N 277.433 3.872 30 20 CHED N#Cc1cccc(-c2csc(NC(=O)C=C3CCC3)n2)c1 161148739 VFBDLOZOQNWFOQ-UHFFFAOYSA-N 295.367 3.731 30 20 CHED CC(C)[C@@H]1CCCC[C@@H]1NCc1cccc(OCC#N)c1 160338998 BRDDUFZTUILMTQ-ROUUACIJSA-N 286.419 3.893 30 20 CHED C=CCCS[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 151993610 ZRJLZGGTNCJGOQ-KBPBESRZSA-N 277.433 3.604 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)[C@@H](C)c2ccccc2)CC1 152959769 ISPUMBBCHNJYAM-SJORKVTESA-N 286.463 3.809 30 20 CHED Cc1cc(F)ccc1C(=O)N[C@@H](CCC#N)c1ccccc1 153748825 MCTUWTWFCVBRBT-KRWDZBQOSA-N 296.345 3.909 30 20 CHED C[C@@H](CC#N)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 157591145 JNVVFSQGAUTPBA-MNOVXSKESA-N 298.308 3.617 30 20 CHED C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C#N)C(C)(C)C 155280663 ICKGHAORYCOPCC-RISCZKNCSA-N 292.810 3.573 30 20 CHED C=CCn1c(SCC2CC2)nnc1-c1cccs1 155909557 RLQFNBXTSVJBKT-UHFFFAOYSA-N 277.418 3.695 30 20 CHED C#CCCCCNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 154947453 WWFTUIAGHOJAAZ-FUHWJXTLSA-N 298.430 3.625 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1O 209181608 NWUQRWYEYNPEGJ-VURMDHGXSA-N 268.312 3.605 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1 8322696 UDRWQBCVALWPDO-JXMROGBWSA-N 280.323 3.898 30 20 CHED N#Cc1sc(N2CC[C@@H]2c2cccc(F)c2)nc1Cl 804522174 WWCYCZADZQYENL-SNVBAGLBSA-N 293.754 3.759 30 20 CHED COc1ccccc1CN(C)CCCCC(C)(C)C#N 234890935 RAHFPDOINUWENJ-UHFFFAOYSA-N 274.408 3.847 30 20 CHED COc1cc(CNCCC2=CCCCC2)ccc1C#N 234908091 APOGKKIVCVODBI-UHFFFAOYSA-N 270.376 3.547 30 20 CHED C=CCOc1ccc(CNc2ccc(C#N)cc2)cc1 20091255 XYERXZFGJSLWFV-UHFFFAOYSA-N 264.328 3.735 30 20 CHED C[C@H]1CCCC[C@]1(C)NCc1ccc(OCC#N)cc1 308727928 ZFHUVNWFRKVYNI-YOEHRIQHSA-N 272.392 3.647 30 20 CHED Cc1cccc(N(C)Cc2ccc(C#N)c(F)c2)c1 404246728 GLJLOZOCXHQGBO-UHFFFAOYSA-N 254.308 3.642 30 20 CHED Cc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1Cl 335206766 HQINSCGUDHZTHK-UHFFFAOYSA-N 291.782 3.806 30 20 CHED C=C(CNCc1nc2c(s1)CCCC2)c1ccccc1 678950562 ABZDWQLMFAQVOR-UHFFFAOYSA-N 284.428 3.825 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 389207715 SSNIVQSGHJMNBX-LBPRGKRZSA-N 262.353 3.848 30 20 CHED C=C(Br)CN1CCCC2(CCCC2)C1 782636110 FBTCKBSZZYYLFT-UHFFFAOYSA-N 258.203 3.551 30 20 CHED CN(C(=O)CCCC(C)(C)C)c1cccc(C#N)c1 103386352 AQDLIENYQUVSMD-UHFFFAOYSA-N 258.365 3.737 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH]nc1C(C)(C)C)C2 108145324 JCLZOHHMOKUSQB-LCYFTJDESA-N 280.371 3.838 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)nc1 179122433 SKQZRBAOKPFHEQ-JTQLQIEISA-N 289.741 3.597 30 20 CHED CCC(CC)CN(CCC#N)C(=O)Cc1ccccc1C 104543659 WINMLVQBINWBLI-UHFFFAOYSA-N 286.419 3.716 30 20 CHED C[C@@H](CC#N)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 170945945 JQRWNXHNJQSFNQ-UWVGGRQHSA-N 299.201 3.590 30 20 CHED Cc1noc(C)c1CSc1nc2c(c(C)c1C#N)CCC2 24851487 LAJXMVGINQDWJK-UHFFFAOYSA-N 299.399 3.648 30 20 CHED C[C@]1(c2ccccc2)CCCN(CCCCC#N)C1 113265319 UYJAQCOMCPOFFU-KRWDZBQOSA-N 256.393 3.734 30 20 CHED CC(C)(C)[C@@H]1CCCN(C[C@H](C#N)CCC#N)CC1 116407434 OGDPERBQGSWJTK-LSDHHAIUSA-N 261.413 3.578 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccc(C#N)cc1 69172023 PZGNCKRCFARYAG-CYBMUJFWSA-N 297.329 3.619 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)NCCCCC#N)cc1 171380095 NGPGHWVDQSQFII-CYBMUJFWSA-N 289.379 3.679 30 20 CHED CCC[C@@H](C)C(=O)Nc1sc(C)c(CC)c1C#N 68677899 ARYALJDQUOXUJJ-SECBINFHSA-N 264.394 3.865 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CCc1ccc(C(C)(C)C)cc1 68082088 SYCSLTVMAKHLFN-AWEZNQCLSA-N 286.419 3.535 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)SCC1CCCCC1 69646881 ZVLLIRVEPNOPMB-CJNGLKHVSA-N 296.480 3.743 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 110362523 BODDQZXUIKRBMU-JKSUJKDBSA-N 289.806 3.868 30 20 CHED Cc1[nH]ccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 176322588 SNBSHONUQZQSRJ-NSHDSACASA-N 299.399 3.827 30 20 CHED C=CCCCN(C)C(=O)C[C@@H](C)Cc1cccc(F)c1 175044830 FLXUCPBWFWNYDD-AWEZNQCLSA-N 277.383 3.819 30 20 CHED CCCOc1ccc([C@H](C)NCCCCC#N)cc1 178649657 IRSWEKSBQVVZQC-AWEZNQCLSA-N 260.381 3.820 30 20 CHED N#CC[C@H](OC(=O)C1(c2ccccc2)CC1)c1ccco1 1263660293 BHIDJPUYDCDITP-HNNXBMFYSA-N 281.311 3.509 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(C)(c2ccccc2)CC1 121006665 QDLRMRKKNOOSDK-OAHLLOKOSA-N 286.419 3.714 30 20 CHED C=CCN1CCOC(c2ccccc2)(c2ccccc2)CC1 59944188 RUCYVYUQESKUFP-UHFFFAOYSA-N 293.410 3.839 30 20 CHED C=CCCSc1nc2nc(C)c(CCCC)c(C)n2n1 303859394 WGSDJSRBMJBYJQ-UHFFFAOYSA-N 290.436 3.752 30 20 CHED CO[C@]1(C)C[C@H](Nc2ccc3cc(C#N)ccc3n2)C1(C)C 301957566 APUUPEAOYWUJNA-MAUKXSAKSA-N 295.386 3.722 30 20 CHED CC(C)(C)C[C@@H](NC(=O)CC#N)c1ccc(Cl)cc1 187030450 IZPGIXWKVMRYKX-CYBMUJFWSA-N 278.783 3.847 30 20 CHED CC[C@@H](SC)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187281184 DIBHLDROOVJSDC-MFOWVQHXSA-N 296.480 3.743 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 120101614 PHSKETJBUJHTEZ-QAPCUYQASA-N 296.414 3.935 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H](c2ccccc2)CC1 185439985 GRAUQNGOWPQJCA-GOSISDBHSA-N 283.415 3.976 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 79540700 XWCHADRWULIQTJ-IRXDYDNUSA-N 299.418 3.668 30 20 CHED Cc1nnc(SCCC2CCCC2)c(C#N)c1C 182716250 POUWUNAZABYGTG-UHFFFAOYSA-N 261.394 3.638 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H](O)c1ccc(F)cc1 124909851 FAVOGJTZCYQVNT-HZPDHXFCSA-N 265.372 3.584 30 20 CHED N#Cc1cccc(C(=O)NCc2cccc3ccccc23)c1 74376296 OOSWNLSFGUIPQJ-UHFFFAOYSA-N 286.334 3.641 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](C)C1 505151097 NLLVEZCFYINVPB-NVXWUHKLSA-N 286.419 3.963 30 20 CHED C=CCSCCNC(=O)[C@H](CC)CC1CCCC1 508902800 XARRRWBNHWVPED-CQSZACIVSA-N 269.454 3.628 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC=CCC1 500302664 LGKTTXLBCSVLNF-GOSISDBHSA-N 296.414 3.899 30 20 CHED CC[C@H]1CC[C@H](C)N1c1c(F)cc(C#N)cc1F 124465528 YLYNALXCQBZONE-ONGXEEELSA-N 250.292 3.604 30 20 CHED Cc1csc([C@H](C)CN[C@H](C)c2cccc(C#N)c2)n1 186568355 LDQCFJMWMSUFEE-DGCLKSJQSA-N 285.416 3.778 30 20 CHED COc1cccc(CNc2ccccc2O[C@H](C)C#N)c1 182587971 FMDZBKASRBRCLD-CYBMUJFWSA-N 282.343 3.598 30 20 CHED CCOCCC1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCC1 185855248 XLFLFUWPDCETRC-HZPDHXFCSA-N 278.440 3.645 30 20 CHED Cc1cc(CN(C)Cc2cccs2)ccc1C#N 362956794 DEGRZHHZNFQUSD-UHFFFAOYSA-N 256.374 3.560 30 20 CHED N#Cc1nccnc1Nc1ccc(OC2CCCC2)c(F)c1 78469270 JYRRXJFWFKYKCO-UHFFFAOYSA-N 298.321 3.552 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2C=CCCC2)ccc1Cl 487808861 DVPOVRRMSMOFIE-LLVKDONJSA-N 274.751 3.897 30 20 CHED C[C@H](NCC(C)(C)c1cccnc1)c1ccc(C#N)c(F)c1 414331560 KFGCXWHAINEILD-ZDUSSCGKSA-N 297.377 3.721 30 20 CHED CN(c1ccc(C(F)(F)F)c(C#N)c1)C1CCC1 128020707 RRQUGIIKDXZNDL-UHFFFAOYSA-N 254.255 3.566 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1CC 74644266 FZELZWGFKRNJDX-YOEHRIQHSA-N 287.403 3.504 30 20 CHED CC(C)OCCCC(=O)Nc1ccc(Cl)cc1CC#N 410969226 PHYUIGSLGFFVMN-UHFFFAOYSA-N 294.782 3.550 30 20 CHED CC(C)(CCC#N)CNCCCNc1cccc(F)c1 184286847 DBKUJKLVRGVRST-UHFFFAOYSA-N 277.387 3.547 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1cccc(SC)c1 125929172 RGBCSUYANBHHNN-CYBMUJFWSA-N 292.448 3.634 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1C=CCCC1 187247061 XBZAFMHUXUUGDT-MRXNPFEDSA-N 294.398 3.819 30 20 CHED COC(=O)c1ccc(CSc2ccccc2C#N)cc1 73771658 JWYLIGNLDXKJFQ-UHFFFAOYSA-N 283.352 3.637 30 20 CHED CC[C@@H](Nc1ccc(C#N)cn1)c1ccc(F)cc1F 77987162 UQLNIFFBEFLDMA-CQSZACIVSA-N 273.286 3.795 30 20 CHED CC#CCNC(=O)Nc1cccc(-c2ccccc2OC)c1 186601369 AQZRBLMMFKGXRZ-UHFFFAOYSA-N 294.354 3.507 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)NCc1cccc(C#N)c1 74435268 BVBIISIQQRPKAI-KRWDZBQOSA-N 284.403 3.781 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cccc(C(F)(F)F)c2)C1 185757315 QCMWYVBHDXIUOQ-RISCZKNCSA-N 282.309 3.877 30 20 CHED N#CC1(COC(=O)c2cccc(C(F)(F)F)c2)CCC1 183898201 LRGJIHNCLPVCDI-UHFFFAOYSA-N 283.249 3.556 30 20 CHED C=CCOc1ccccc1-c1nc(C2CCCC2)no1 504222120 BHZRGIYVXLFMNN-UHFFFAOYSA-N 270.332 3.959 30 20 CHED C#CCCCCC(=O)Nc1ccc2occ(C)c2c1 187304435 BCZMBPVRIYCAPH-UHFFFAOYSA-N 255.317 3.873 30 20 CHED C=CCC1(C(=O)N2CCSCC[C@@H]2C)CCCCC1 410759369 GOSLGPIPSNKDTF-AWEZNQCLSA-N 281.465 3.867 30 20 CHED N#CCCN(CCC#N)CCCc1cccc2ccccc12 132811138 GOGPPOCOADYKRI-UHFFFAOYSA-N 291.398 3.902 30 20 CHED Cc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1Cl 176333074 HNWKXJVLDJQECR-UHFFFAOYSA-N 291.782 3.806 30 20 CHED C=C(C)CN(CC)Cc1cc(C#N)ccc1Br 191773848 PDFZCXAIFVVKSU-UHFFFAOYSA-N 293.208 3.719 30 20 CHED C[C@H]1c2ccsc2CCN1CCOc1ccccc1C#N 42278381 HAHVOHANRDMAHQ-ZDUSSCGKSA-N 298.411 3.618 30 20 CHED CC[C@@H]1CCC[C@@H]1/N=C(/O)[C@@H]1CCC(=O)c2cccn21 329847983 NBCFXFQOYDPAOW-DYEKYZERSA-N 274.364 3.541 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccc(F)cc1)C2=O 48985517 TYJSWYMRZKLYQH-UKTHLTGXSA-N 268.287 3.793 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2ccncc2)cc1 192099098 ZOURKFSLZXKTHK-UHFFFAOYSA-N 280.327 3.616 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1 46062220 YNZJNZPHCRVCOA-UHFFFAOYSA-N 299.761 3.876 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)cc1)CO2 130776666 OUXXQNHMPFZDLU-DYVFJYSZSA-N 278.355 3.651 30 20 CHED C=CCN(CC=C)C(=O)Cc1ccc2ccccc2c1 47465376 APLYHKVJGUHZQY-UHFFFAOYSA-N 265.356 3.583 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCCOCC2CC2)c1 427500756 ZEXUGLDQMUQKDD-UHFFFAOYSA-N 298.308 3.806 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccccn1 43180925 ITVFEWLMZNAEEM-OAHLLOKOSA-N 295.386 3.540 30 20 CHED Cc1csc([C@H](C#N)C(=O)CCC2CCCC2)n1 41520039 YIDSGAKPRAEPMF-GFCCVEGCSA-N 262.378 3.598 30 20 CHED CCCc1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1 611386321 LZXWLAKQGYIGAJ-LBPRGKRZSA-N 285.416 3.818 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@@H]2CCC[C@@H]21 426469783 RKBXURWBYCNEJW-NHYWBVRUSA-N 260.768 3.586 30 20 CHED CCCCCCC[S@](=O)Cc1nc(C)cs1 133808593 WHEVHDHAIDYVKP-MRXNPFEDSA-N 259.440 3.671 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)COCc1ccccc1 429881714 FSKALKOYTDLKJP-HNNXBMFYSA-N 289.419 3.558 30 20 CHED CC1=C(C)C[C@H](C(=O)NCC(C)(C)CCC#N)CC1 515483661 ADXKLILPXIUEBK-CQSZACIVSA-N 262.397 3.569 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)NCc1ccc(C#N)cc1 512118721 OPLKOMOFNKAHOH-YOEHRIQHSA-N 299.418 3.574 30 20 CHED C=CCN(C)Cc1ccc(OCc2csc(C)n2)cc1 428369567 JSJFRGLUVZSQBK-UHFFFAOYSA-N 288.416 3.648 30 20 CHED C=C(CNC(=O)N(C)[C@@H](C)c1ccco1)c1ccccc1 512686388 YECYTBYXLBUOTQ-AWEZNQCLSA-N 284.359 3.695 30 20 CHED CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]2C#N)c2ccccc21 331707072 DFMIKGYFJUOJTH-KBMXLJTQSA-N 297.402 3.648 30 20 CHED C=CC[C@H]1N(C(=O)C2CCSCC2)CCCC1(C)C 334188156 JBGIAJBUOJDCFK-CQSZACIVSA-N 281.465 3.723 30 20 CHED Cc1c(Cl)cccc1C(=O)N(C)Cc1cccc(C#N)c1 195206307 IYCPTGGGNRTNJB-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CCC[C@@H](CC)/N=C(/O)Nc1c(C)cc(C)nc1C 331336838 QOSMHSXJJJMROO-CYBMUJFWSA-N 263.385 3.911 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(OCCC)cc1 424606182 PPFFNWYMTVADGK-UHFFFAOYSA-N 275.392 3.694 30 20 CHED C=CCN(CCSC(C)C)Cc1cccc(C#N)c1 338233262 KNYMASIXHUDTMG-UHFFFAOYSA-N 274.433 3.688 30 20 CHED CC(C)(CCC#N)CN(CCC(F)(F)F)CC1CC1 91901947 XMLJAOWNAOXOLB-UHFFFAOYSA-N 276.346 3.981 30 20 CHED N#CCC1CCN([C@@H]2CCCc3ccccc32)CC1 335977057 IUOGRDGVCNSCER-QGZVFWFLSA-N 254.377 3.690 30 20 CHED CC(C)C[C@@H]1CCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)C1 330943159 FDZCIPFSTWHTJN-DOTOQJQBSA-N 299.418 3.893 30 20 CHED C[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 334340948 NQCHJWUPYBGRND-NSHDSACASA-N 284.746 3.703 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCC(=O)c1cc(C)ccc1C 428039869 GRYDUDSDEMOCET-MRXNPFEDSA-N 299.414 3.833 30 20 CHED N#CCc1ccc(NC(=O)N2CCCCCC2)c(Cl)c1 334730165 DUSDOWPFAHWBMZ-UHFFFAOYSA-N 291.782 3.814 30 20 CHED C/C=C/c1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1 336285945 RJDBPFLOPYOWFW-GBJFIMJBSA-N 269.348 3.533 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)NCC(C)(C)CCC#N 513108535 PGKZBKZFNWDNKI-CABCVRRESA-N 293.455 3.927 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1ccc2ccccc2n1)OCC 339357671 ISIIPIQJXRQRCO-MRXNPFEDSA-N 298.386 3.569 30 20 CHED CCN(Cc1ccc2cc(OC)ccc2c1)C[C@H](C)C#N 91982602 LGGVKJNEJPFHON-CQSZACIVSA-N 282.387 3.830 30 20 CHED C=CCN(Cc1cccc(C#N)c1)CC(C)(C)CCC#N 92504646 ZXTWGRIMEIASHJ-UHFFFAOYSA-N 281.403 3.876 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(O)cc2)cc(C)c1O 96766243 XRIGJTYZFQSPFC-BAQGIRSFSA-N 268.312 3.611 30 20 CHED CC(C)Oc1ccc(NC(=O)CCC2CCC2)cc1C#N 435357943 XNWJGRPRRPUXBB-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 437098796 PMWTYCVSXDXCFN-ZETCQYMHSA-N 277.673 3.663 30 20 CHED C=CCNC(=O)c1ccccc1NCc1ccccc1CC 438325563 SOHWVOZDKRYRKL-UHFFFAOYSA-N 294.398 3.777 30 20 CHED N#Cc1ccc(CNCC2(c3ccc(F)cc3)CCC2)cc1 237740530 FVAHAVRVTUWCHO-UHFFFAOYSA-N 294.373 3.909 30 20 CHED CC(C)(C#N)CCCN1CCc2c(F)ccc(F)c2C1 267657202 CFTQONGLNDMIRG-UHFFFAOYSA-N 278.346 3.653 30 20 CHED Cc1cc(C)cc(OCCCN(C)CC(C)(C)C#N)c1 433308615 ZGFLHBAKMZQZAI-UHFFFAOYSA-N 274.408 3.554 30 20 CHED C[C@H](C#N)Oc1ccc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)cc1 248373317 HYCQNNPASQMFRF-OSGQAZFXSA-N 298.430 3.988 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)c(F)cc1Cl 345742141 RCCDOAJPBAKZEG-UHFFFAOYSA-N 276.138 3.781 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCc3c(Cl)cccc32)C1 248998803 PWJSQSYDRLSJRB-WQGACYEGSA-N 274.795 3.999 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C 602304196 WIHVTFJELPJJKQ-KDOFPFPSSA-N 286.419 3.618 30 20 CHED CC(C)CN(CC[C@@H]1CCCO1)Cc1ccc(C#N)cc1 346267082 SRPHUPZLBUKBRT-SFHVURJKSA-N 286.419 3.585 30 20 CHED CSc1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1 602485848 WBVXCHGRIZHZQE-ZDUSSCGKSA-N 290.432 3.919 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1[N+](=O)[O-] 255070489 DSJPJYDJGROPKN-SREVYHEPSA-N 298.323 3.733 30 20 CHED CC(=O)c1ccc(C#N)c(NCC2(C(F)(F)F)CCC2)c1 343951381 JHABUASYBYUDMN-UHFFFAOYSA-N 296.292 3.905 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccoc1 341848972 UYKZHHKRYYOILR-LLVKDONJSA-N 286.356 3.784 30 20 CHED Cc1cc(C)cc(OCCSc2cc(C#N)ccn2)c1 603724907 NPKRDCACKGCZJI-UHFFFAOYSA-N 284.384 3.741 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H](C)CCC#N 602502569 LNEAPSFZCCLNIN-AWEZNQCLSA-N 296.418 3.519 30 20 CHED N#Cc1cccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)c1 609916260 IIVGXDDDRJRSNM-GOSISDBHSA-N 294.373 3.762 30 20 CHED Oc1nc2ccccc2cc1C=Nc1cc(F)ccc1F 255573604 VWQIXNSZWZDCMJ-UHFFFAOYSA-N 284.265 3.969 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCc1ccc(-c2ccccc2)o1 349331306 YZQHWXUWIUTKQB-AWEZNQCLSA-N 296.370 3.640 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 251654072 SZGUFRZBPGUISZ-VKZRIFJHSA-N 284.403 3.503 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2c(c1)CCCC2=O 352495096 IMXVFZATAFBIJC-UHFFFAOYSA-N 285.387 3.538 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCC(C)(C)CCC#N 354028506 ODSBNNCIRRXEHX-KBPBESRZSA-N 293.455 3.830 30 20 CHED C=CCN(CC=C)C(=O)CSCc1ccc(CC)cc1 609770706 KJJWZFBDUOMJCD-UHFFFAOYSA-N 289.444 3.683 30 20 CHED C=C(C)CCNC(=O)CSCc1ccc(Cl)cc1 448550727 ITVFTNAFEPFXCV-UHFFFAOYSA-N 283.824 3.656 30 20 CHED CC(C)[C@H](COCc1ccccc1)NCCCCC#N 446838962 NUHINKLUYBDNKA-KRWDZBQOSA-N 274.408 3.511 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 537187538 LWEYNKNRWZXEAI-VNHYZAJKSA-N 290.407 3.947 30 20 CHED C=CCCOCCCCC(=O)N(C)C1CCCCC1 537163426 WUMRHBGOVUCOHC-UHFFFAOYSA-N 267.413 3.541 30 20 CHED O=C(NCC#Cc1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 535906585 OLBXXIDBXSCIIA-IPMKNSEASA-N 295.426 3.761 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccn(CCC)c1 358099499 RUDSCLKRKXIBJH-QGZVFWFLSA-N 295.386 3.651 30 20 CHED CC(=O)c1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 359885113 WWXCXZKZJOAWFV-GFCCVEGCSA-N 292.338 3.503 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2S1 538335820 NDDUSIVKRVBYJA-IUODEOHRSA-N 275.417 3.564 30 20 CHED COc1cccc([C@H]2C[C@H](N[C@H]3CCC[C@@H](C#N)C3)C2)c1 449617323 HBFGJDCZZVNMGL-MXASKKJJSA-N 284.403 3.613 30 20 CHED C[C@H](c1ccccn1)N(C)c1nc(C(C)(C)C)ccc1C#N 613416861 ZPMPCKKGVQLCBG-CYBMUJFWSA-N 294.402 3.843 30 20 CHED CC1(C)CN(C[C@H](C#N)CCC#N)[C@@H]1c1ccccc1 610989109 FJNKPGRYBOKIPA-GOEBONIOSA-N 267.376 3.513 30 20 CHED C=CC(C)(C)CN[C@H]1CCN([C@@H](C)c2ccccc2)C1 449484609 IHAMYGHIRVKWEK-RDJZCZTQSA-N 272.436 3.624 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 449546468 CEHPGXYWXVVVQH-KGLIPLIRSA-N 285.309 3.529 30 20 CHED CC[C@H](N[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 618574759 JOTZVGXHKRTIEK-KGLIPLIRSA-N 264.319 3.787 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CC[C@H](C)SC 358558619 FODMNBKWYMHTGV-ZDUSSCGKSA-N 295.423 3.872 30 20 CHED CC(C)c1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1 531928621 WKWJJJHCHZPNMI-UHFFFAOYSA-N 279.343 3.523 30 20 CHED N#C[C@H](NC(=O)CC1CCC1)c1c(Cl)cccc1Cl 266311593 GBIYIXTXZMSETF-LBPRGKRZSA-N 297.185 3.864 30 20 CHED CC(C)[C@H](CNC[C@H](C)CCC#N)Nc1ccccc1 618887691 DXHMVVUAJKCDLG-WBVHZDCISA-N 273.424 3.653 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1/C=C\c1ccccc1 611541483 VFLWOHHGNXUFBJ-MQNTZWLQSA-N 275.355 3.635 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C)nc2C(C)C)C1 617777211 KKSAORUPUXVRAA-HNNXBMFYSA-N 286.419 3.942 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2cc(Cl)cc(Cl)c2)no1 453064928 PQQLMUAXIPRYBA-WPPNPWJKSA-N 294.141 3.845 30 20 CHED C=CCC1(NC(=O)CCc2ccc(O)cc2)CCCCC1 456364852 KOIGJXFPDFYFIZ-UHFFFAOYSA-N 287.403 3.720 30 20 CHED C=CCCOCCCCC(=O)NC[C@@H]1CCC[C@@H](C)C1 538298279 IGDGUKPOLWENBU-HZPDHXFCSA-N 281.440 3.692 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H]1CC[C@H](SCC)C1 458987950 NJLSUHJGDNWTBC-STQMWFEESA-N 284.469 3.514 30 20 CHED CCC[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 611376615 YPDOBASFTPWTTH-QGZVFWFLSA-N 265.360 3.584 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 610354116 VYEBCFIHCOBVNB-QDEZUTFSSA-N 299.418 3.743 30 20 CHED C#CCCCC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 365269231 WDUIDFRJDDWVKI-OAHLLOKOSA-N 261.409 3.609 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 455371995 UNMQVJNSACRFRP-GOEBONIOSA-N 286.419 3.786 30 20 CHED C#CCCCCC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 271384242 PADFZSRCPKDOMC-SFHVURJKSA-N 269.388 3.756 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc(SCC)cc1 453347659 INNMHQIQFXHMJM-HIFRSBDPSA-N 279.449 3.776 30 20 CHED C=CCC1(c2nc(-c3ccc(F)cn3)no2)CCCC1 453146852 NHEFGWDYXVFYED-UHFFFAOYSA-N 273.311 3.659 30 20 CHED CC(C)c1ccc(/C=N/OCc2ccccn2)cc1 274360458 VYYQFCHQQOLHOA-WOJGMQOQSA-N 254.333 3.756 30 20 CHED C[C@@H](NCCSC(F)(F)F)c1ccc(C#N)c(F)c1 271952148 RNNIZJRPSACXNB-MRVPVSSYSA-N 292.301 3.601 30 20 CHED C=C(C)[C@H](NC1CCN(CC)CC1)c1ccc(F)c(F)c1 274756933 JEGUBVKNPWKOOY-KRWDZBQOSA-N 294.389 3.656 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OC)c(SC)c1 459724305 PVRDIWFBPZBKSA-UHFFFAOYSA-N 294.420 3.751 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 455606725 BGQUIJQOKIUQSA-FUHWJXTLSA-N 299.418 3.524 30 20 CHED C#CC[C@H](NCc1ccc(COC)cc1)c1ccccc1 270167260 GYPROOFJXPGZFQ-IBGZPJMESA-N 279.383 3.687 30 20 CHED Cc1ccc(Cl)cc1C(=O)N[C@](C)(C#N)C(C)(C)C 274385051 ZEFITFFTOJMFLI-OAHLLOKOSA-N 278.783 3.707 30 20 CHED C=CCN(Cc1cnc(-c2ccco2)s1)C1CC1 278743319 RYJXPVPQGJVZAW-UHFFFAOYSA-N 260.362 3.554 30 20 CHED C=CCN(C(=O)c1cncc(C(F)(F)F)c1)C(C)(C)C 622945963 ZWVUNAAUONTAND-UHFFFAOYSA-N 286.297 3.527 30 20 CHED CCCn1ncnc1CS[C@H](C)c1cccc(C#N)c1 279846978 RUSNAWRGSFVUAB-GFCCVEGCSA-N 286.404 3.554 30 20 CHED Cc1cnc(C(C)(C)NCCCCC(C)(C)C#N)s1 278697281 JMJRCEISCFNDHS-UHFFFAOYSA-N 279.453 3.996 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@H](C)CC(C)C 545297503 QTGVYSVZWRBPNK-GFCCVEGCSA-N 274.364 3.578 30 20 CHED CCc1cnc(CNc2ncc(Cl)c(C)c2C#N)s1 273394401 VKUPOVHHNHJELM-UHFFFAOYSA-N 292.795 3.546 30 20 CHED C=CCCN(C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 276506898 WXHVWWJKZZDSBO-GFCCVEGCSA-N 289.354 3.753 30 20 CHED CC(C)Cn1cc(N[C@H](C)c2ccc(C#N)cc2)cn1 272097015 YOTYYEKWAUXJSD-CYBMUJFWSA-N 268.364 3.584 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CC[C@@H]3CCC[C@H]3C1)CCC2 462901868 YKUSRPVFVGPDQY-HEHGZKQESA-N 281.403 3.823 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(C2CCC2)cc1 279003898 UDUBYERFPRXPJG-CQSZACIVSA-N 271.364 3.768 30 20 CHED C=CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)C(C)(C)C 622945164 VLAVBRNIBHWEQF-CYBMUJFWSA-N 289.423 3.589 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 628058367 IGPOEMDMDHGHDS-WDEREUQCSA-N 284.186 3.789 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1c(F)cccc1F 467810077 RMWHQANFAFNHLC-NSHDSACASA-N 279.330 3.910 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(OC2CCCC2)c1 465156343 OMSYKLKTTZPFOV-LBPRGKRZSA-N 274.364 3.704 30 20 CHED CC#CCSCc1nc(-c2ccccc2)oc1C 464089853 LIEANYGTLLMZKF-UHFFFAOYSA-N 257.358 3.907 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(C#N)ccc1Cl 285810948 MRNSRJJFQQXBLU-PWSUYJOCSA-N 276.767 3.615 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(C2CC2)nc1C 620856233 PYZIECVVXITGFA-UHFFFAOYSA-N 272.392 3.742 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NCc1nc(C#N)cs1 558486144 RRHIJZIDBHANCQ-VXGBXAGGSA-N 277.437 3.709 30 20 CHED C=C(C)[C@H](CC(=O)N([C@@H](C)CC)[C@@H](C)CC)OCC 467210077 BLDWSXKUHFEUBL-KKUMJFAQSA-N 269.429 3.783 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](c1ccccc1)C(C)C 466546317 WGMUFKIBLQSAOW-HZPDHXFCSA-N 259.393 3.897 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2sccc2Cl)C1 285427337 HDQXMKLIRXDMDM-NOZJJQNGSA-N 282.796 3.604 30 20 CHED C=CCCc1nc(C2(c3ccc(C)cc3)CCOCC2)no1 289211037 UQQBPECCYHNKSO-UHFFFAOYSA-N 298.386 3.593 30 20 CHED CN(Cc1ccc(-c2ccccc2)o1)CC(C)(C)C#N 552085683 IPUMCMWPPBIRIO-UHFFFAOYSA-N 268.360 3.928 30 20 CHED C[C@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)C(C)(C)C 464165556 FGEVISWDDXIEPL-ABAIWWIYSA-N 252.402 3.503 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1cccc(F)c1)c1ccco1 286048617 KYLJIXXGEXMFKY-CVEARBPZSA-N 289.350 3.749 30 20 CHED C[C@@H](CN(C)CCOc1ccccc1C#N)c1ccccc1 551011781 AFGGLXAHQHNFOT-INIZCTEOSA-N 294.398 3.673 30 20 CHED N#Cc1ccnc(N[C@H]2CCC[C@@H]2c2ccccc2)c1 553058772 NRSXCLRDWIQMBJ-CVEARBPZSA-N 263.344 3.701 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CCC1(C)C)c1ccccc1 558025642 XCZUHAFIQWPODW-LSDHHAIUSA-N 257.377 3.651 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC(C3CCC3)C2)cc1 554121802 WRBVRDYOTWXMNK-UHFFFAOYSA-N 297.402 3.752 30 20 CHED CC(C)CCC(=NNC(=S)Nc1ccccn1)C1CC1 802712992 YDNQIQZKDIWNAK-UHFFFAOYSA-N 290.436 3.570 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2cccc(C#N)c2)CC12CCC2 291823412 SERLVWBSHPXHEA-OAHLLOKOSA-N 283.375 3.601 30 20 CHED C=C1CCN(c2c(C#N)cnc3c(Cl)cccc23)CC1 567751381 AFIVOIWTUMAMNK-UHFFFAOYSA-N 283.762 3.916 30 20 CHED COc1cc(N[C@@H]2CCC[C@@H](C#N)C2)c(C)cc1C 475666468 CODDGHIJTBHBOZ-ZIAGYGMSSA-N 258.365 3.806 30 20 CHED CCC1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 299448265 VRGBWVGGVKJHPU-UHFFFAOYSA-N 271.364 3.521 30 20 CHED CC#CC(=O)N[C@@H](c1ccc(CCCC)cc1)C(C)C 801112469 USMOZTATFLXBOR-GOSISDBHSA-N 271.404 3.866 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)NCC1(C#N)CC1 565459549 SZRURTWYMDAOIZ-OAHLLOKOSA-N 276.424 3.793 30 20 CHED Cc1ccc(-c2cc(C(=O)O)n(C(C)C)c2)c(C#N)c1 567915950 CZXJEBUEYFILOP-UHFFFAOYSA-N 268.316 3.614 30 20 CHED C#C[C@H](NC(=O)Cc1cccc2ccccc12)C(C)(C)C 807884756 VYQSSRYSLXSJOC-KRWDZBQOSA-N 279.383 3.546 30 20 CHED C#C[C@H](NC(=O)c1occc1-c1ccccc1)C(C)(C)C 807879168 PVFJRMDSBNYZQP-HNNXBMFYSA-N 281.355 3.724 30 20 CHED C[C@@H](C#N)CN(C)[C@H](C)c1ccc(OC(F)(F)F)cc1 299160205 KQMJFVIVEKYJGS-WDEREUQCSA-N 286.297 3.738 30 20 CHED CCC[C@](C)(CC)C(=O)OCCCC1(C#N)CCOCC1 800223585 HZCSCLNMRPYBQL-INIZCTEOSA-N 295.423 3.847 30 20 CHED C=CC(C)(C)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 648211911 HQISVNATGZUBOS-UHFFFAOYSA-N 290.794 3.692 30 20 CHED C#C[C@@H](CCC)NC(=O)c1coc2ccc(CC)cc12 803191165 SJZSELFDTSEYEC-ZDUSSCGKSA-N 269.344 3.527 30 20 CHED C=C(C/N=C/c1c(O)cccc1OC)c1ccccc1 806551973 ZORFRTXURYNMIL-LDADJPATSA-N 267.328 3.533 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)C(C)(C)C 813211017 BZTIRTNRWFPFDD-GXSJLCMTSA-N 298.308 3.959 30 20 CHED CC[C@H](CC(F)(F)F)N[C@H]1CCc2ccc(C#N)cc21 569974891 XYUFDAZCUMABCA-OCCSQVGLSA-N 282.309 3.866 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNC[C@@H]1CCSC1 811660869 WCNGPHDCLAQGDB-RYUDHWBXSA-N 254.443 3.531 30 20 CHED COCc1ccccc1/C=C(/C)C=NOC/C=C/Cl 814228739 JHYXXJMILNMWIL-NXOJJPLRSA-N 279.767 3.991 30 20 CHED CCC1(CC)CCN(c2c(C#N)nnc3ccccc23)CC1 486052980 LQXBZJHYIUGUAK-UHFFFAOYSA-N 294.402 3.908 30 20 CHED C#CCN(CCC1(OC)CCC1)[C@@H]1CCc2ccccc21 815023451 VMQGCMOZRJISMN-GOSISDBHSA-N 283.415 3.568 30 20 CHED CCON=C(C)c1csc(-c2ccccc2F)n1 812224392 MGIGXFXXKNPALC-UHFFFAOYSA-N 264.325 3.710 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C(=O)C2CCC2)cc1 486989343 LSBILAATROKLSN-GFCCVEGCSA-N 286.375 3.756 30 20 CHED C=C(CC)COc1c(C#N)cnc2ccc(C)cc12 488303031 VWQBQQVOOURPLX-UHFFFAOYSA-N 252.317 3.760 30 20 CHED CC1CCC(=NN[C@H](C)COc2ccccc2)CC1 811667009 NGIIFEUAGJWNHJ-ARLHGKGLSA-N 260.381 3.610 30 20 CHED CC(CCCCCCC(=O)O)=NN[C@H]1CCCC1(C)C 814917733 PULCMERZXBNUNQ-AWEZNQCLSA-N 282.428 3.956 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1nc2ccsc2s1 488537290 PZHGKXSFDCRIAI-VIFPVBQESA-N 293.417 3.930 30 20 CHED C[C@H](C#N)Oc1ccc(CNCCC(C)(C)C2CC2)cc1 815162169 DABUEJYGLWFXOV-CQSZACIVSA-N 286.419 3.893 30 20 CHED CC(C)OCCON=CC1CCC(C(F)(F)F)CC1 812238469 WMWRPRVSZGGSMO-UHFFFAOYSA-N 281.318 3.783 30 20 CHED C=C(C)CNC(=O)Nc1cnn(CCCC)c1C(C)C 485180542 RZLXTDXKYMWZAT-UHFFFAOYSA-N 278.400 3.504 30 20 CHED C=CCC[C@@H](CC)Nc1cccc(-c2cn(C)nn2)c1 579259124 LJVCGDYAVVXEMF-CQSZACIVSA-N 270.380 3.639 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc3ncccc3c1)C2 811695444 GNAIQSPIXHRCOL-MFOYZWKCSA-N 296.329 3.929 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ccnn1CCC 657496913 SDQLESBDHKNADM-KRWDZBQOSA-N 283.419 3.570 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)CCCC 579020847 PPFFAFDPIMGQHF-AWEZNQCLSA-N 293.407 3.503 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(Cl)c(N)c1 814803094 JLHYOVOALDPTMM-UHFFFAOYSA-N 284.750 3.630 30 20 CHED C=CCCCCOC(=O)C[C@H](C)C(=O)c1cccc(F)c1 811009485 XKBZFIHTIJECIY-ZDUSSCGKSA-N 292.350 3.934 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1oc2ccc(OC)cc2c1C 573870246 IBSNSEFVYAAOBF-ZDUSSCGKSA-N 299.370 3.931 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 819529543 OYGJQXQBNHRYIN-MFKMUULPSA-N 290.234 3.631 30 20 CHED N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)cc1F 483977553 PRCMMUSBBKVCIT-QGZVFWFLSA-N 294.373 3.762 30 20 CHED Cc1cc(C[S@@](=O)CCC(C)(C)C#N)c(C)s1 578477790 DXCMQJKJQPKTER-KRWDZBQOSA-N 269.435 3.554 30 20 CHED C=CCCCCNC(=O)[C@@H](CC=C)c1ccccc1 490204837 VMGQCIJNJCLLOZ-INIZCTEOSA-N 257.377 3.819 30 20 CHED C#Cc1cccc(N(CC)C(=O)C=C(C2CC2)C2CC2)c1 728480540 WTTHXEWOUYXKDW-UHFFFAOYSA-N 279.383 3.767 30 20 CHED C[C@@H](C[C@@H](O)c1cccs1)NC1CCC(C)(C#N)CC1 824066907 YBBAZGMAJVEPTQ-PGOFDVKTSA-N 292.448 3.622 30 20 CHED C=CCCCCNC(=O)c1nc2ccccc2cc1Cl 578474598 VXMYBBMYLBKUQD-UHFFFAOYSA-N 288.778 3.974 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C2CC2)ccn1 823472082 ZCZLAMLNXMOURY-UHFFFAOYSA-N 273.380 3.825 30 20 CHED C=CCCC(=O)OCCOc1cc(Cl)ccc1Cl 726651718 UPXOSADMTTWHTB-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)/C=C/c1ccsc1 492472870 LBHJLEOIEYJCAV-NNNHXZLVSA-N 298.367 3.691 30 20 CHED CCn1c(NC(=O)[C@@H](C)C(C)(C)C)nc2cc(C#N)ccc21 490744395 KKWUKAOIPNVBRR-LLVKDONJSA-N 298.390 3.549 30 20 CHED CC(C)(CCC#N)CNC(=O)/C=C\c1ccc2[nH]ccc2c1 493686780 ODRJZAGOUAPJCB-ALCCZGGFSA-N 295.386 3.627 30 20 CHED CCc1ccnc(C(=O)OCCCCC2(C#N)CCC2)c1 909142011 ZBCVUUDQEULLIZ-UHFFFAOYSA-N 286.375 3.665 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCc3ccc(C)cc32)c1 730131737 OFWFXMAWGHPCHC-GOSISDBHSA-N 290.366 3.785 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 736397990 QPFVVIOCELQLHQ-LBPRGKRZSA-N 296.798 3.653 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N[C@H](C#N)C(C)(C)C 583442310 ZEMFAKCKPGQRTM-ZIAGYGMSSA-N 264.413 3.813 30 20 CHED Cc1cccc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)n1 589101977 RXBSHESIAQHMLI-UHFFFAOYSA-N 296.717 3.632 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](Cc1ccccc1)C1CC1 736431225 YYWNWNKLZQHION-NNIWKIFQSA-N 295.382 3.841 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(OCC3CC3)cc2)C1 839051420 XHGQLBZUDCNQGQ-WMLDXEAASA-N 299.370 3.715 30 20 CHED C#CCOc1cccc(NC(=O)Cc2cccc(Cl)c2)c1 730978330 NUSUZXZKTRHSKX-UHFFFAOYSA-N 299.757 3.533 30 20 CHED C#CCCCC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 837067223 XRTVKZJXVMREFS-QZTJIDSGSA-N 283.415 3.880 30 20 CHED CC[C@@](C)(C=NNc1nc2ccccc2s1)OC 834913790 DOOLMRXSLDHAJG-ZDUSSCGKSA-N 263.366 3.509 30 20 CHED CC1(C#N)CN(Cc2ccccc2-c2ccccc2)C1 839131682 DATNHYRPXFZPPK-UHFFFAOYSA-N 262.356 3.699 30 20 CHED O=[N+]([O-])c1ccc(NN=C(CC2CC2)c2ccccc2)nc1 735972156 NWXQPYSZZJWXNS-UHFFFAOYSA-N 296.330 3.606 30 20 CHED C=CCOCCCC(=O)N(O)Cc1cccc2ccccc12 901371106 MFCWHMSTHSMRJD-UHFFFAOYSA-N 299.370 3.540 30 20 CHED C#Cc1cccc(NC(=O)N2CCCCCCCC2)c1 836253050 DPGRXTJNKWNMGQ-UHFFFAOYSA-N 270.376 3.856 30 20 CHED CC(C)(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 839051252 NDRGNFHIJGFHOO-IUODEOHRSA-N 289.350 3.729 30 20 CHED C=CCOc1ccc(Cc2nc(-c3ccsc3)no2)cc1 904299269 XOMGLEYUSXQOSB-UHFFFAOYSA-N 298.367 3.954 30 20 CHED Cc1cc([C@@H](NCC2(C#N)CC2)c2cccnc2)ccc1F 903106793 VKOOANXVLRCYGX-QGZVFWFLSA-N 295.361 3.512 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 906387552 DSHRUSCMYGOGJZ-ULQDDVLXSA-N 299.414 3.577 30 20 CHED Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCCCCC#N)c1 733867322 XSOFLJCHARDWHL-LBPRGKRZSA-N 295.766 3.653 30 20 CHED CCCC[C@@H]1CCCC1=NNc1cccc(-c2nn[nH]n2)c1 736441277 OSFQXJPRDQRVIX-GFCCVEGCSA-N 298.394 3.625 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(C(C)=O)ccc1OCC 837865404 MBVLVTKSMJZHPY-UHFFFAOYSA-N 290.359 3.543 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](CO)c1ccc(Cl)cc1 672619629 IDWGLSJCQXKDSX-KCQAQPDRSA-N 281.827 3.606 30 20 CHED O=C(C#CC1CC1)N1CCC[C@H]1c1cccc2ccccc12 837360240 BHSQFLJUKPVSNM-IBGZPJMESA-N 289.378 3.917 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cc(C)ccc1C 915970368 AMYAQRSILJVWJS-UHFFFAOYSA-N 268.364 3.546 30 20 CHED C=CC[C@@H](NC(=O)N[C@H](C)CCC(C)C)c1ccncc1 734652602 OBNMPSGTCDJFRQ-GDBMZVCRSA-N 289.423 3.823 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@]1(C)CCc2ccccc21 830269870 DAYSKKNZFUJJNY-GOSISDBHSA-N 285.387 3.764 30 20 CHED FC(F)(F)c1cccc(NN=C[C@@H]2CC=CCC2)n1 739426136 IZQIQMPSGDQXMX-SNVBAGLBSA-N 269.270 3.854 30 20 CHED N#C[C@@H](C(=O)CC1CC1)c1nc2cc(Cl)ccc2s1 917047073 QNZKYDJQEWNWSK-JTQLQIEISA-N 290.775 3.926 30 20 CHED Cc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)nc1 839370473 WHQVZNWANBJBSN-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2sccc2C1 675154588 ITQUKTDFXWXWQW-UHFFFAOYSA-N 275.417 3.791 30 20 CHED CC(C)[C@H](NCCc1ccc(C#N)cc1)c1ccc(F)cn1 595056288 UJNFLEDHDWPMRN-SFHVURJKSA-N 297.377 3.622 30 20 CHED C=C[C@H](CC(=O)Oc1cccc(C(=O)O)c1)c1ccccc1 833371929 XAWKLQNPFOWNHN-CYBMUJFWSA-N 296.322 3.650 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)C1CCC1 838782370 KUGZDGJTHYYUEC-IUODEOHRSA-N 278.355 3.847 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C(F)(F)F)s1 671643792 GZBGTEWBSWBWJB-UHFFFAOYSA-N 275.295 3.581 30 20 CHED C#CCCCC(=O)Nc1scc(C(C)(C)C)c1C#N 839368284 AYMXFYNMADJQEY-UHFFFAOYSA-N 274.389 3.659 30 20 CHED CC(Cc1nc2ccccc2s1)=NOCc1cccnc1 746588005 IRAKNLXTKMBFNS-UHFFFAOYSA-N 297.383 3.827 30 20 CHED COc1cccc(/C=C2\CCc3ccc(OC)cc3C2=O)c1 741846613 DBVKVWUNZLUICQ-XNTDXEJSSA-N 294.350 3.916 30 20 CHED C=CCCSCCNC(=O)CCSc1ccccc1 597974233 GCCUBKJETPGNOD-UHFFFAOYSA-N 295.473 3.594 30 20 CHED N#CCC1(CSCCCOc2ccccc2)CC1 596324758 LAXCANLXGLAECG-UHFFFAOYSA-N 261.390 3.883 30 20 CHED C=CCCOCC(=O)N(Cc1ccccc1)CC(C)(C)C 590891538 MARDBAQDCDLYBE-UHFFFAOYSA-N 289.419 3.654 30 20 CHED CCN(Cc1csc(-c2ccc(F)cc2)n1)[C@H](C)C#N 595813990 YZMXUBWVLVHGDS-LLVKDONJSA-N 289.379 3.683 30 20 CHED CCCCCCCCN1CCC[C@H]([C@H]2C[C@H](N)CCO2)C1 846223354 PWOQLAAVNYMSPC-RCCFBDPRSA-N 296.499 3.565 30 20 CHED Clc1ccc(NN=Cc2c[nH]c3ccccc23)cn1 743450196 MZWRJIGSZQOCCN-UHFFFAOYSA-N 270.723 3.662 30 20 CHED C[C@H](OC(=O)[C@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 748686659 ZOTGKYUVBOEGTM-WWGRRREGSA-N 271.360 3.989 30 20 CHED Cc1cc(Cl)ccc1OC(=O)c1cccc(CC#N)c1 915805633 GYEOYEWXOLBCKN-UHFFFAOYSA-N 285.730 3.934 30 20 CHED C=CCOc1ccc(C(=O)Oc2ccc(C)cc2OC)cc1 914294491 VNZBRLYEFDHMEA-UHFFFAOYSA-N 298.338 3.788 30 20 CHED Cc1ccc(NCCCOc2ccc(C#N)cc2)cc1 917811423 MZLIWZHIMPAUEN-UHFFFAOYSA-N 266.344 3.748 30 20 CHED Cc1cc(C)c2c(c1)CC[C@@H]2NCc1ccc(C#N)cc1 848519137 PSQZDERWJUVECB-SFHVURJKSA-N 276.383 3.952 30 20 CHED CC(C)(C#N)Cc1nc(C2(c3ccc(F)cc3)CCC2)no1 598683133 JCNZHNJSOCVISL-UHFFFAOYSA-N 299.349 3.771 30 20 CHED COc1ccc(C)cc1NCCCOc1ccc(C#N)cc1 917802293 FAGRLSNGHYJMAV-UHFFFAOYSA-N 296.370 3.756 30 20 CHED C#C[C@@H](NC(=N)Nc1c(CC)cccc1CC)C(C)(C)C 849077791 OTHIPYBYJUYTDN-OAHLLOKOSA-N 285.435 3.796 30 20 CHED C[C@H](CO)N(C)N=C1CCC[C@@H](c2cccc(Cl)c2)C1 842537655 DKLBPUIXXDTBIX-TZMCWYRMSA-N 294.826 3.666 30 20 CHED CCN(C(=O)[C@H](C)Sc1ccccc1Cl)[C@@H](C)C#N 598354472 XYIHOEUAELPWHO-QWRGUYRKSA-N 296.823 3.581 30 20 CHED CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C#N)CC)o1 593483953 MAVBRYJWCLBFPW-UKRRQHHQSA-N 288.391 3.835 30 20 CHED CCCCCCCCN(C)[C@H](C)c1nc(C)no1 847059934 VSBNDWJMWGSRLA-GFCCVEGCSA-N 253.390 3.731 30 20 CHED Cc1nnc([C@@H](C)ON=Cc2ccc(C(C)(C)C)cc2)o1 742349440 XISKVRIWUBPOIP-LLVKDONJSA-N 287.363 3.787 30 20 CHED C=CCCCCCn1cc(C#N)c2ccccc2c1=O 596314496 HSUCJRKPGAUQBU-UHFFFAOYSA-N 266.344 3.620 30 20 CHED CC(C)c1ccc2c(c1)CN(CCCSCC#N)CC2 595656879 GVKVKLYJPGNTRV-UHFFFAOYSA-N 288.460 3.815 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](C2CCC2)C1 591204476 VLYGEHOIOYGGGT-LBPRGKRZSA-N 295.308 3.598 30 20 CHED C#C[C@H](OC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)c1ccccc1 842363435 ITLKEYNGJTYPIG-QRTARXTBSA-N 298.382 3.546 30 20 CHED C[C@@H]1CC(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@@H](C)C1 841224323 KXQZOCMWBGHOMP-YUMQZZPRSA-N 297.811 3.679 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 755231597 UYXNELMDNWDGFL-ZDUSSCGKSA-N 270.376 3.718 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)c1ccccc1F)c1ccccc1 757601028 WBUDPBHHJIAMLJ-RDTXWAMCSA-N 295.357 3.810 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@H](C)CC(C)(C)C#N 851205872 MUUOFWAIQQRMDY-RISCZKNCSA-N 257.349 3.776 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 753148344 GNFXNLKNDTWNLD-HUUCEWRRSA-N 292.810 3.765 30 20 CHED C=C(C)C[C@@H](C)c1nc(-c2ccc(N(C)C)cc2)no1 681023178 JMTCRZGGJULVAR-GFCCVEGCSA-N 271.364 3.872 30 20 CHED C=C1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 929738027 UBTNXZHIZGMEMM-UHFFFAOYSA-N 268.719 3.663 30 20 CHED C#CCCCCNC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 758805617 QSEFDNZOZUHSNE-QZTJIDSGSA-N 298.430 3.501 30 20 CHED CCOc1cc(C#N)ccc1OCCC1SCCS1 853013614 AVXLNYDKIBINJE-UHFFFAOYSA-N 295.429 3.532 30 20 CHED Fc1ccc(NN=C[C@H]2CCOc3ccccc32)c(F)c1 752156910 IUTVFNGRUGMZSO-LLVKDONJSA-N 288.297 3.929 30 20 CHED Cc1ccc2sc(C(=O)N3CCC[C@@H](C#N)C3)cc2c1 928216944 ZUXUDTCLXKOFOB-LBPRGKRZSA-N 284.384 3.586 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1ccc(OCC)cc1 929295573 LUESBIDFZGWTAM-AWEZNQCLSA-N 275.392 3.646 30 20 CHED COc1ccc(NN=Cc2ccccc2OC(C)C)cc1 750923236 GFPQFSZPFSJCDL-UHFFFAOYSA-N 284.359 3.928 30 20 CHED C=CCNC(=S)N(C)[C@H](C)c1sc(C(C)C)nc1C 755390623 PRZUSYYNYPOKNP-LLVKDONJSA-N 297.493 3.628 30 20 CHED Cn1c(NN=C[C@@H]2C[C@H]2c2ccccc2)nc2ccccc21 755647959 HEJMASHHIGJFOQ-GJZGRUSLSA-N 290.370 3.775 30 20 CHED COc1cc(C=NN2CCCC[C@@H]2C)ccc1OC(F)F 853380445 WAIQVSNYVIRZQO-NSHDSACASA-N 298.333 3.505 30 20 CHED Cc1cccc2c1OC/C(=C/c1c(F)cccc1F)C2=O 920066422 BDYLJUNWOORMBZ-FLIBITNWSA-N 286.277 3.932 30 20 CHED C#CC(C)(C)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 758230916 GZIASNAIGKLNNZ-UHFFFAOYSA-N 298.773 3.544 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2O)cc1Cl 757475198 PUQYASYKXLFQGZ-SOFGYWHQSA-N 288.730 3.950 30 20 CHED C[C@H]1CC[C@H](CC(=O)OCc2ccc(F)c(C#N)c2)C1 759426959 VFDOZLLBXAEGFO-RYUDHWBXSA-N 275.323 3.567 30 20 CHED C[C@H](NN=Cc1c(F)cccc1F)c1ccccc1 920386128 RAXFBFZPWACJJG-NSHDSACASA-N 260.287 3.650 30 20 CHED COc1cccc2cc(C=NNc3cc(C)ccn3)oc12 755902377 KJMCDIULHBEIGA-UHFFFAOYSA-N 281.315 3.591 30 20 CHED C#CC[C@H](NC(=O)c1ccc(C)cc1F)c1ccccc1 757598175 ORMMRUFCIPKPAA-KRWDZBQOSA-N 281.330 3.629 30 20 CHED C=C(Cl)CNC(=O)CCn1ccc2cc(Cl)ccc21 759133695 IGMUKDUTSMCGFB-UHFFFAOYSA-N 297.185 3.554 30 20 CHED Cc1ccnc(NN=Cc2ccccc2OC(F)(F)F)c1 755905950 KIURWRMSYYRIDW-UHFFFAOYSA-N 295.264 3.735 30 20 CHED C=CCC[C@@H](C(=O)O[C@H](C)c1nccn1C)c1ccccc1 851575845 RCUUEOBPZGNTKI-GDBMZVCRSA-N 298.386 3.774 30 20 CHED C=CCCC(C)(C)NCc1ccc(OCOCC)cc1 850417481 ZSXDMSSQFGJDHJ-UHFFFAOYSA-N 277.408 3.894 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H](C)C1CCCC1 750163901 QJTJOQITAALFRC-GFCCVEGCSA-N 287.359 3.689 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cccc(C(F)(F)F)c1 858188627 HNNDYKVSRWYUNV-UHFFFAOYSA-N 285.265 3.941 30 20 CHED CC(=NNc1cc(C)ccc1F)c1cc(F)cc(F)c1O 759653092 OKRHGCHFFHUWQW-UHFFFAOYSA-N 294.276 3.954 30 20 CHED Clc1cccnc1NN=C[C@H]1C[C@@H]1c1ccccc1 755654338 JAONJMYSEHWBTM-CHWSQXEVSA-N 271.751 3.936 30 20 CHED Fc1ccccc1-c1ccc(C=NNCC(F)(F)F)o1 769821121 HPNUGCBZCBSSBD-UHFFFAOYSA-N 286.228 3.572 30 20 CHED CCCCCCCNC(=O)c1cccn1Cc1ccncc1 862360269 ZBZNHBXCLMONJZ-UHFFFAOYSA-N 299.418 3.632 30 20 CHED Cc1cc(C=NNCc2cnc3ccccc3c2)ccc1F 764775915 QTODVNWGSNEDGL-UHFFFAOYSA-N 293.345 3.806 30 20 CHED CC[C@H](CC#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 762720134 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3.515 30 20 CHED C#CCCCSc1nnc(-c2ccccc2)n1CC=C 766278204 XVRVODWCRQGMBR-UHFFFAOYSA-N 283.400 3.637 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1C#N 767685019 SIVDLRVPOFTUNL-HNNXBMFYSA-N 293.414 3.784 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2cccnc2c1 869878809 VGRJATYZNGDURP-UHFFFAOYSA-N 282.343 3.722 30 20 CHED C#CCCCCc1nc(Cc2ccc3ccccc3n2)no1 761625098 BATCNXHAYIQGEP-UHFFFAOYSA-N 291.354 3.555 30 20 CHED CN(Cc1cccs1)c1cccc(Cl)c1C#N 48727829 CWRONPTUBYIILL-UHFFFAOYSA-N 262.765 3.910 30 20 CHED CCOc1cccc(/C=C/C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 860825827 QAPMDCILYPLDFA-ZMMKQQPBSA-N 299.370 3.724 30 20 CHED CCCCCCCNC(=O)C[C@@H]1CCC[C@H](OC)C1 862357512 WXKMQVXUCNTXLI-CABCVRRESA-N 269.429 3.668 30 20 CHED CC(C)(C)c1ccc(C2(C(=O)OCCCC#N)CC2)cc1 1115839891 KGDGVFASXLHUHL-UHFFFAOYSA-N 285.387 3.863 30 20 CHED C#CCOc1ccc(-c2nnc(-c3ccccc3F)o2)cc1 1117196721 GHBHGTANRCUVGQ-UHFFFAOYSA-N 294.285 3.555 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(CC2(CC#N)CC2)C1 878612369 KUOHYSBYUUEIFW-GDBMZVCRSA-N 254.377 3.763 30 20 CHED C=CCc1cccc(F)c1OCc1cn(C)nc1C(F)F 1118060532 GAEUXQKVNADMML-UHFFFAOYSA-N 296.292 3.804 30 20 CHED C/C=C(/C=C\C(=O)OCc1ccc(F)c(C#N)c1)CC 767662358 WCWGFWYRMCBBIC-GUNAYIFLSA-N 273.307 3.653 30 20 CHED CC1=CC(=NNc2cc(C#N)cc(Cl)n2)CCC1 768381262 WQQHGJKRHCVJIR-UHFFFAOYSA-N 260.728 3.505 30 20 CHED CCCCCCCCNC(=O)/C=C/c1scnc1C 776876360 DFRGLIRSEZZUIX-MDZDMXLPSA-N 280.437 3.941 30 20 CHED N#CCc1ccccc1CC(=O)OCCC1CCCCC1 777162593 GUECLRLYMIXZGM-UHFFFAOYSA-N 285.387 3.809 30 20 CHED CCC[C@@H](C)CC(=O)O[C@H](C#N)C1CCCCC1 776382179 AJCBMBSDSBRTSE-TZMCWYRMSA-N 251.370 3.828 30 20 CHED CC(C)(C#N)CCOC(=O)CSc1ccccc1Cl 776357288 QKWNTAZLPDWXCN-UHFFFAOYSA-N 297.807 3.915 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(CF)cc1 777539134 CDIDRQFGJMFABR-UHFFFAOYSA-N 254.308 3.948 30 20 CHED N#CC1(c2nnc(-c3cccc(Cl)c3)o2)CCCC1 1117212552 GVMAGBOHNXIEET-UHFFFAOYSA-N 273.723 3.725 30 20 CHED CCCCC[C@@H](CC)C(=O)N(CCC#N)C(C)C 775686104 DDWJWZBFSPLNBL-CQSZACIVSA-N 252.402 3.744 30 20 CHED CC(C)CNN=Cc1ccc(Cl)cc1Br 771566787 JRYGUGKBJOTRSM-UHFFFAOYSA-N 289.604 3.682 30 20 CHED CCCCCCCN[C@@H](c1cnn(C)c1)C(F)(F)F 773990969 NYSVMHQCFIXXFY-LBPRGKRZSA-N 277.334 3.584 30 20 CHED N#Cc1ccc(-c2nnc(CC3(C#N)CCCCC3)o2)cc1 1118429462 DNKCGPOTYBSARB-UHFFFAOYSA-N 292.342 3.625 30 20 CHED Cc1nc(C2CCCCC2)sc1C(=O)OC(C)(C)C#N 779227385 HEPPRHMCHUGWQP-UHFFFAOYSA-N 292.404 3.958 30 20 CHED C=CCC[C@@H](CCC)NCc1nc2cc(F)ccc2n1C 773003872 YDXLQRKRBRRTOP-CQSZACIVSA-N 289.398 3.937 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1F 15602582 GDTBECCODAEWHP-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C2CC3(CCC3)C2)o1 772841043 FDICPBXFTCNFDE-UHFFFAOYSA-N 272.352 3.576 30 20 CHED Clc1ccc(CNN=C2CCCOCC2)c(Cl)c1 770597401 ZQYLYNVKPLDDMO-UHFFFAOYSA-N 287.190 3.640 30 20 CHED COc1cc(C)c(C(C)=NOC2CCCC2)cc1OC 774608599 QLBGQNOUZAQIGL-UHFFFAOYSA-N 277.364 3.695 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@@H](C)C[C@@H]1C 773086493 RXAVXLTUGACDOE-NEPJUHHUSA-N 260.385 3.824 30 20 CHED N#C[C@H](OC(=O)c1ccnc2ccccc12)C1CCCCC1 776363204 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CCCCCCCNC(=O)c1occc1Br 703716099 YIQBEMVWBSZFAZ-UHFFFAOYSA-N 288.185 3.742 30 20 CHED CSCCON=C[C@@H](OC(C)C)c1ccccc1 793055007 YRGHTLCWTMZPJU-CQSZACIVSA-N 267.394 3.518 30 20 CHED C=CCCCCCN(C)C1CCN(CCC)CC1 187694836 KQNPEHBZCOKKBK-UHFFFAOYSA-N 252.446 3.539 30 20 CHED Cc1nc(-c2ccc(C(=O)OC(C)(C)C#N)cc2)cs1 799617985 RRWGHFZVGCCLOB-UHFFFAOYSA-N 286.356 3.578 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1cc(C)ccc1C 798374961 DRDAYPOZFCBQPY-ZDUSSCGKSA-N 262.422 3.945 30 20 CHED C#CCCCOC(=O)[C@H](C)Oc1ccc2ccccc2c1 795724078 TWKOHIHXYHXWIA-AWEZNQCLSA-N 282.339 3.564 30 20 CHED C=C(Cl)CNC(=O)Nc1nc2c(s1)C[C@H](CC)CC2 799432271 LTSSSSXNLJLSQY-SECBINFHSA-N 299.827 3.532 30 20 CHED Fc1ccc(C=NOCCCCC2CCOCC2)cc1 799174969 VEJZYXZYBUJMAT-UHFFFAOYSA-N 279.355 3.773 30 20 CHED C=CCCCC(=O)NCc1cccc(Br)c1C 578518655 CJPACJRCFVCDDB-UHFFFAOYSA-N 296.208 3.730 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C1CCCCC1 799443129 NKALHISMEQVIGD-UHFFFAOYSA-N 257.333 3.606 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2CCC[C@@H](C)C2)c1 741559130 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1347121400 BUOHKHIZXRVNJK-GFCCVEGCSA-N 298.342 3.781 30 20 CHED C#CCN(CC1CC1)[C@H](C)c1ncc(-c2ccccc2)o1 1345029214 GYJMNTNSFFTGQX-CQSZACIVSA-N 280.371 3.748 30 20 CHED CC/C=C(\C)C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 1341183019 NVMHJGQSMBLJCH-OIOXUXFSSA-N 294.354 3.724 30 20 CHED Cc1ccc(C)c(N(C)C(=O)CC#Cc2ccccc2)c1 1340363299 GEXNGZJUSHHISQ-UHFFFAOYSA-N 277.367 3.708 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1nc(C(F)(F)F)cs1 925120205 XBGCGMLPWYIVSW-QMMMGPOBSA-N 291.342 3.580 30 20 CHED Cc1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cc1C#N 1531215489 JHYRJAIDLILQJN-QGZVFWFLSA-N 296.414 3.909 30 20 CHED CC(C)CC[C@H](C)NC1CCN(c2ccccc2C#N)CC1 1474657186 WFKJELRTWJEENR-INIZCTEOSA-N 299.462 3.941 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CC1 1476097317 SQNBWRJBFZICHV-DGCLKSJQSA-N 289.354 3.788 30 20 CHED CC[C@@H]1C[C@H]1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 1559554579 GFRCTFMJKNHFTI-UBDQQSCGSA-N 268.404 3.804 30 20 CHED COc1ccc(CNc2ccc(CC#N)cc2)c(F)c1 228597619 SAJFIZMKCFNZDL-UHFFFAOYSA-N 270.307 3.512 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2cccc(F)c2C#N)C1 1642879909 ZLMPOZQTOGTAMT-GFCCVEGCSA-N 288.366 3.644 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)Nc1cc(F)cc(C#N)c1 1643624334 SQUWRKSREGXXMX-UHFFFAOYSA-N 293.301 3.739 30 20 CHED CCO[C@@H]1C[C@@H](N(C)c2ccnc(C#N)c2)C12CCCCC2 1655208466 LJBSAWIFPPCLGF-IAGOWNOFSA-N 299.418 3.517 30 20 CHED C[C@@H](CC(C)(C)C)NC1CCN(c2ccccc2C#N)CC1 1659786214 JZRUUVSGYWXTCW-HNNXBMFYSA-N 299.462 3.941 30 20 CHED C=C(C)CCNc1ccc(OCC(=O)O)c2ccccc12 1588561667 UJIDGIRBWZADRD-UHFFFAOYSA-N 285.343 3.681 30 20 CHED Cc1c(NN=Cc2cccc3ccoc23)cccc1C(=O)O 1776087915 FDPGVULHIVCUAF-UHFFFAOYSA-N 294.310 3.885 30 20 CHED CC(C)c1ccc(NN=Cc2ccc(O)c(C(=O)O)c2)cc1 1776060500 XTUZLZVHRAAZCY-UHFFFAOYSA-N 298.342 3.660 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)ccc2F)s1 1777433853 ZUXORQUQBZFSEG-XQRVVYSFSA-N 290.315 3.790 30 20 CHED C=CCCCCCN(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 150899058 MJGQTEGDMLBCNY-CQSZACIVSA-N 299.418 3.662 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2cc(C)c(C)cc2o1 158689534 UKWFEXJYHMXRHL-LBPRGKRZSA-N 257.289 3.509 30 20 CHED CC1(C)CCC(C(=O)NCc2cc(C#N)ccc2F)CC1 158847775 YQOVWGYPVRULTR-UHFFFAOYSA-N 288.366 3.530 30 20 CHED CCN(Cc1cc(F)ccc1C#N)[C@H](C)c1cccc(O)c1 160531862 DSNNNUUAUORXMP-CYBMUJFWSA-N 298.361 3.986 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2cc(C#N)ccc2C)c1 151020578 HSAILULNXTTWNX-AWEZNQCLSA-N 278.355 3.917 30 20 CHED CC(C)(C)CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 159300135 GXRKFSNXCPBUNM-ZDUSSCGKSA-N 278.783 3.847 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc(C#N)cc1 209439839 XDYIQCOROGXQOX-NTMALXAHSA-N 277.323 3.771 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 32533555 ULKSGQPZDPVWKE-LLVKDONJSA-N 267.288 3.640 30 20 CHED N#Cc1c(F)cccc1NCc1ccc(Br)o1 36138628 SDAAJHGJQFBZMP-UHFFFAOYSA-N 295.111 3.665 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(Cl)c(Cl)c1 233295039 DEGMMYCVWILDIX-JTQLQIEISA-N 270.159 3.525 30 20 CHED COc1cc(C#N)cc(OCc2ccc(Cl)cc2)c1 234981172 AYXFGIKXTUNERU-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=C(C)CCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 834883929 VDODUDXCAOXWGG-LSDHHAIUSA-N 296.455 3.578 30 20 CHED Cc1nc(N2C[C@@H](C)CC(C)(C)C2)c(Cl)cc1C#N 1162906896 HMQKBTMVCWJHTO-JTQLQIEISA-N 277.799 3.788 30 20 CHED CC[C@@H](CSC)Nc1nc(C(F)(F)F)ccc1C#N 128471904 XGQSOZLPTLBUKT-VIFPVBQESA-N 289.326 3.526 30 20 CHED N#Cc1cccc(CNC2CCC(C(F)(F)F)CC2)c1 35258343 UHLWZRCBFQSPIR-UHFFFAOYSA-N 282.309 3.769 30 20 CHED COc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1 35224523 RYHWADYHDIMORD-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C#CCCCCC(=O)Nc1ccccc1OC(F)(F)F 179681132 SKJPMOHCTWXKTL-UHFFFAOYSA-N 285.265 3.717 30 20 CHED CC1(C)[C@H]2CN(c3ccc(C(F)(F)F)cc3C#N)C[C@H]21 301625182 GELURYGFVRXZGK-TXEJJXNPSA-N 280.293 3.669 30 20 CHED Cc1cc(C#N)cc(NC(=O)Cc2ccccc2Cl)c1 308138764 QLVDORUABUZLGI-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C#CCCNC1(c2ccc(Cl)c(Cl)c2)CC1 309521459 BMUUYOYHGZDVLX-UHFFFAOYSA-N 254.160 3.595 30 20 CHED C[C@@]1(F)CCN(c2ccc(C(F)(F)F)cc2C#N)C1 346646706 CCOGNPNJTIBDPG-GFCCVEGCSA-N 272.245 3.515 30 20 CHED N#Cc1cc(F)cc(OCc2ccc(C#N)cc2Cl)c1 313575846 WQKWCOLSMSESRZ-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CC1=C(C)C[C@@H](C(=O)N2CCC(CCC#N)CC2)CC1 335503078 MAULYOAHMRRTFS-INIZCTEOSA-N 274.408 3.665 30 20 CHED C#C[C@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C 702267282 PRXSFHFDSYVESK-WOPDTQHZSA-N 261.331 3.745 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC[C@H](C)SC 358552154 IPXCKDSKZGLZRK-AWEZNQCLSA-N 277.433 3.733 30 20 CHED CCCCCCCN[C@H]1CCO[C@@H](C(F)(F)F)C1 705927232 NCXLHQVOLWUJJF-NWDGAFQWSA-N 267.335 3.656 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2cccc(F)c2C#N)C1 708496497 LFQDTXVCXVTGAQ-GFCCVEGCSA-N 260.356 3.960 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C(F)(F)F 725889206 TYQBOGONSXTMKI-JTQLQIEISA-N 253.308 3.662 30 20 CHED N#CCc1ccc(COc2cc(Cl)cc(C#N)c2)cc1 398980198 DRPMTLYSLDYODS-UHFFFAOYSA-N 282.730 3.857 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 7712519 VAWZLPSBCVJBRI-FPYGCLRLSA-N 289.237 3.769 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](C)c1ccc(F)cc1 57449798 OIPPIRLVEQCHBS-ZDUSSCGKSA-N 263.356 3.744 30 20 CHED C[C@H](CC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 26111669 CHWIEYOWCJCEEP-HUUCEWRRSA-N 292.382 3.929 30 20 CHED C=CCNC(=O)[C@H](C)Sc1ccc(C(C)C)cc1 58635872 IAJBUGFWGXSJLJ-LBPRGKRZSA-N 263.406 3.593 30 20 CHED CCC[C@@H](C(=O)NCC#Cc1ccccc1)c1ccccc1 55043639 JAMJWPZDHGKFRJ-LJQANCHMSA-N 291.394 3.738 30 20 CHED C[C@@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])cc1C#N 105882288 MONXVMNHNNYGQP-SNVBAGLBSA-N 299.355 3.652 30 20 CHED CCCCCCCCCNC(=O)N1CCCO[C@H](C)C1 171296375 XBCZZKCDUZFOOH-OAHLLOKOSA-N 284.444 3.557 30 20 CHED CCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 107781931 UARGGOSJIHAUPX-QZTJIDSGSA-N 292.382 3.705 30 20 CHED C=CCCC(=O)N[C@H](c1ccc(F)cc1F)C(C)C 119545985 IMZKVPPGBHZTTK-HNNXBMFYSA-N 267.319 3.744 30 20 CHED COc1ccccc1C[C@H](NCCCCC#N)C(C)C 178649309 CSAANLDSQGKPSZ-INIZCTEOSA-N 274.408 3.546 30 20 CHED N#Cc1cn(CCCc2ccccc2)c2ccccc2c1=O 172403094 AGHNLAQTIBPESW-UHFFFAOYSA-N 288.350 3.506 30 20 CHED O=C1/C(=C\c2csc([N+](=O)[O-])c2)Cc2ccc(F)cc21 176410129 XXYPERFNAOMPKB-KMKOMSMNSA-N 289.287 3.618 30 20 CHED Cc1ccccc1CC(=O)N[C@H](C#N)c1ccccc1Cl 172027885 KNKSAHLRYFHJIR-MRXNPFEDSA-N 298.773 3.572 30 20 CHED C=CCCC(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 118299641 RXQNURVOERECHY-BBRMVZONSA-N 275.417 3.658 30 20 CHED Cc1cccc(CC(=O)N[C@H](C#N)c2ccccc2Cl)c1 172029453 KDGVZNDLBYCGDO-MRXNPFEDSA-N 298.773 3.572 30 20 CHED C[C@@H](Sc1cccc(C#N)c1)C(=O)c1ccccc1 177106856 DHZKVJBFLWHJHH-GFCCVEGCSA-N 267.353 3.922 30 20 CHED Cc1nc(NCc2ccccc2)c(Cl)cc1C#N 307224196 ARJLMHOYKINQOY-UHFFFAOYSA-N 257.724 3.527 30 20 CHED COc1ccccc1[C@H]1CCCN1Cc1cccc(C#N)c1 69085664 MAFLAJQUUDWFBC-GOSISDBHSA-N 292.382 3.904 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H](C)C(C)C)cc1C#N 178661953 OSWIIFRYYLYUCD-GFCCVEGCSA-N 274.364 3.576 30 20 CHED Cc1cccc(CNCc2ccc(C#N)s2)c1C 421347648 FXQNDNROJJRTDU-UHFFFAOYSA-N 256.374 3.526 30 20 CHED C[C@@H](Sc1nccnc1C#N)c1ccc(Cl)cc1 301204163 YEJQNWHMYJQPGP-SECBINFHSA-N 275.764 3.855 30 20 CHED C=CCCCOc1cc(Br)c(C=O)cc1OC 117551968 RDZORLNZFXHMEC-UHFFFAOYSA-N 299.164 3.615 30 20 CHED COc1ccc(CN(C)c2c(Cl)cccc2C#N)cc1 303533714 XCSVHOJLDNDPEX-UHFFFAOYSA-N 286.762 3.857 30 20 CHED CCCc1noc(CS[C@H](C)c2ccc(C#N)cc2)n1 118444112 LPJUFNXUFHKRMZ-LLVKDONJSA-N 287.388 3.888 30 20 CHED N#Cc1nc(NCc2cc3ccccc3[nH]2)ccc1Cl 301176435 MSCOWETVSYIFDA-UHFFFAOYSA-N 282.734 3.700 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)C1(C#N)CCCC1)CCC2 179759847 MSYLFKORQPTKGF-MRXNPFEDSA-N 282.387 3.573 30 20 CHED C[C@@H](CC#N)Nc1cnc2cc(Cl)c(Cl)cc2n1 302065484 CRAMJRIRUCXTPY-ZETCQYMHSA-N 281.146 3.651 30 20 CHED CCCCCCCC(=O)OCc1nc(C)c(C)o1 128089161 ZELSAHUPTXYNRY-UHFFFAOYSA-N 253.342 3.695 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=C)CC 1345526009 JXVGDZPHNIEXCR-UHFFFAOYSA-N 269.797 3.882 30 20 CHED C=C(C)CN(CC)CC(=O)N[C@H](CCC)c1ccccc1 302734330 AVDVSOIIMWXDOJ-QGZVFWFLSA-N 288.435 3.542 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(C)ccc1Cl 124545323 JWRZATNXVLJEOH-LLVKDONJSA-N 267.756 3.568 30 20 CHED CCSCC[C@@H](C)N(C)Cc1cc(C#N)ccc1OC 126819669 IURTXFFOFZFJTN-CYBMUJFWSA-N 292.448 3.530 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC[C@H](O)c1ccc(Cl)cc1 120465365 MBFSEKZHTZVDLP-JMSVASOKSA-N 267.800 3.564 30 20 CHED C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@H]2CCCC[C@H]12 302134001 CSALTNOZCSOIQF-GYSYKLTISA-N 275.783 3.622 30 20 CHED CC[C@H](CN[C@@H]1CCC[C@H](C#N)C1)Oc1cccc(F)c1 185850501 XKESIEOAKRSITR-NUEKZKHPSA-N 290.382 3.655 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(OCCC)c1 181554015 UNDZLGMQNWPCRK-UHFFFAOYSA-N 262.353 3.515 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 410588541 JSIXMMCOJUQNDL-NWDGAFQWSA-N 276.767 3.976 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(C#N)cc2)C1 509279218 MEZVJUQSINFKHG-IAGOWNOFSA-N 299.418 3.572 30 20 CHED C[C@H](CCc1ccccc1)Nc1ccc(C#N)cc1[N+](=O)[O-] 32533590 VZADLUQWGQJFJL-CYBMUJFWSA-N 295.342 3.900 30 20 CHED C[C@H](NC(=O)CSCCC#N)c1cccc2ccccc12 413015468 SRDMPLJCFFKYDX-ZDUSSCGKSA-N 298.411 3.664 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(CCC(F)(F)F)cc1 183856003 ZGKLGMPOOLYLMR-CYBMUJFWSA-N 298.308 3.604 30 20 CHED C=C[C@@H](CC(=O)N(CC)CCCC)c1ccccc1 122385300 KVRUIHOFZGJWHM-HNNXBMFYSA-N 259.393 3.995 30 20 CHED COc1ccc(O)c([C@H](C)Nc2cccc(F)c2C#N)c1 36138793 UNEMJTLMLNHGAQ-JTQLQIEISA-N 286.306 3.585 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCCc2cc(C)ccc21 187972973 KUUJTQSCBYDKNV-SFHVURJKSA-N 287.403 3.503 30 20 CHED Cc1cccc([C@H](C)CNc2nc(C)ccc2C#N)c1 500289887 MXTHXTIBNDCVSV-CYBMUJFWSA-N 265.360 3.786 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 183834450 YGMDZSUVXPKWST-NUEKZKHPSA-N 261.409 3.792 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Cl)c(SC)c1 417279927 NPAPRPYRKPWGOA-UHFFFAOYSA-N 270.785 3.712 30 20 CHED CC(=O)c1ccc2c(c1)CN(Cc1ccc(C#N)c(C)c1)C2 411964116 WFJGEBNWSKWPSF-UHFFFAOYSA-N 290.366 3.585 30 20 CHED C=C[C@H]1CCCCN1Cc1ncc(-c2ccccc2)o1 489503654 ZAUBUGFFANDMKE-HNNXBMFYSA-N 268.360 3.882 30 20 CHED C=C[C@@H]1CCCCN1Cc1ncc(-c2ccccc2)o1 489503655 ZAUBUGFFANDMKE-OAHLLOKOSA-N 268.360 3.882 30 20 CHED Cc1ccc(CCNc2ccccc2O[C@@H](C)C#N)cc1 182549857 AKEMDIFBIIGLHH-HNNXBMFYSA-N 280.371 3.941 30 20 CHED CCC[C@H](C)N(C)C(=O)c1cccc(SCC#N)c1 79405022 GAYBJURYWBBBIV-LBPRGKRZSA-N 276.405 3.563 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1C 507225759 DZDVNBPKLWIWNJ-UHFFFAOYSA-N 264.372 3.807 30 20 CHED C[C@@H]1CC[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C[C@H]1C 410673888 KTCLZYWWMBFIQM-NFFDBFGFSA-N 264.413 3.503 30 20 CHED CC(C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 74918383 PMFRTXGTTVHBAN-GOEBONIOSA-N 299.418 3.697 30 20 CHED CCc1ccccc1CNc1ccc(C#N)cc1[N+](=O)[O-] 78797339 IPSPALDZNGFYBP-UHFFFAOYSA-N 281.315 3.641 30 20 CHED C=CCN(Cc1ccc(CO)cc1)Cc1ccccc1F 182684111 MDXPULOVASYXQE-UHFFFAOYSA-N 285.362 3.506 30 20 CHED CCc1cccc2c(CCN[C@@H]3CCC[C@@H](C#N)C3)c[nH]c12 185832148 AJVOJORTDRXYLF-RHSMWYFYSA-N 295.430 3.945 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1cc(C)ccc1C 45516866 NJAVAZPQRIWDHM-UHFFFAOYSA-N 278.355 3.842 30 20 CHED C=CCC(CC=C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 134106969 APUPXKOOUAWCKY-KBMXLJTQSA-N 261.409 3.934 30 20 CHED C=CCC[C@@H](N[C@H](C)c1nccn1C)c1ccccc1 183363010 MYIUVLZWUPYLRN-GDBMZVCRSA-N 269.392 3.778 30 20 CHED C=CC1CCN(c2nccc3ccc([N+](=O)[O-])cc23)CC1 413133233 BJUANDFJKYTDOS-UHFFFAOYSA-N 283.331 3.545 30 20 CHED N#Cc1cnc(N[C@@H]2CCc3ccccc32)c(Cl)c1 339228042 BJMTYQYGYKCHDL-CQSZACIVSA-N 269.735 3.706 30 20 CHED Cc1cccc([C@@H](C)CNc2nc(C)ccc2C#N)c1 500289889 MXTHXTIBNDCVSV-ZDUSSCGKSA-N 265.360 3.786 30 20 CHED Cc1ccc(C)c(N(C)Cc2ccc(C#N)cc2F)c1 49333051 WWUMHHKMZMLOHN-UHFFFAOYSA-N 268.335 3.951 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)Nc2scnc2C2CC2)C1 328606334 KHQQBQRWYVKXCM-SCZZXKLOSA-N 265.382 3.535 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)CC(C)(C)C#N)C1(C)C 412810000 HYXHMABCXCCZCI-ZDUSSCGKSA-N 278.440 3.990 30 20 CHED C=C(C)CNC(=S)Nc1ccccc1OC1CCCC1 44239811 TXMKBAVXZMKSMD-UHFFFAOYSA-N 290.432 3.871 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C)c(OC(F)F)c1 80302589 NFKNBTQBLITVBW-UHFFFAOYSA-N 299.317 3.518 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@H]1C[C@H]2C=C[C@H]1C2 329292413 IZXJPBKCUSDQKS-XOBFJNJYSA-N 290.407 3.689 30 20 CHED C[C@H](Nc1ccc2c(c1)CCO2)c1ccc(OCC#N)cc1 193012061 KQHNVRQKWLAZQM-ZDUSSCGKSA-N 294.354 3.697 30 20 CHED CC#CCCN1CCC(c2nc3c(s2)CCCC3)CC1 425516679 SWNSAJLVFIBZBX-UHFFFAOYSA-N 288.460 3.615 30 20 CHED Clc1ccc(C#CCN2CC[C@H]3CCC[C@@H]32)cc1 426481502 ALLHCARHNUJYKP-ZBFHGGJFSA-N 259.780 3.566 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCC1CC(F)(F)C1 425944662 NVZQLLDXWIDZKY-MRXNPFEDSA-N 290.357 3.961 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc3c(c2)CCCC3)n1 41518737 VESYOOIJKKKGPF-OAHLLOKOSA-N 296.395 3.820 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](c1cccnc1)C(C)C 424715803 UWFWDLLVICDMNM-HNNXBMFYSA-N 274.408 3.540 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cn1 516903584 JIZOTAOQICYAFU-CYBMUJFWSA-N 299.805 3.670 30 20 CHED CC(C)C1CCC(C/N=C(/O)c2csc(O)n2)CC1 329935663 KNSFCORFXODIQK-UHFFFAOYSA-N 282.409 3.616 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1scnc1C(C)C 334565267 WZTBMLFHYKQDJO-UHFFFAOYSA-N 285.372 3.699 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)s1 335339631 NSBHRHJURRJPNW-AWEZNQCLSA-N 296.395 3.640 30 20 CHED CCN(CC(C)(C)C)C(=O)[C@H](C#N)CCc1ccccc1 428666714 SDSSDHDEEFDEPC-INIZCTEOSA-N 286.419 3.654 30 20 CHED N#Cc1cccc(OC2CCN(Cc3cccs3)CC2)c1 92034439 WDMNXEPAPXAJMH-UHFFFAOYSA-N 298.411 3.663 30 20 CHED C=C(C)CN1CCC(NC2CCC(CCC)CC2)CC1 236795696 OMJXLLBTHSETPB-UHFFFAOYSA-N 278.484 3.975 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1c(F)cccc1F 336100089 JPRBTZANWSKKAV-SNVBAGLBSA-N 266.291 3.537 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCC(C)(C)c2ccccc21 332075426 XTGITZHSLPWXEC-UHFFFAOYSA-N 293.370 3.523 30 20 CHED Cc1cc(NC(=O)C[C@H]2CC[C@H](C)C2)c(C#N)cc1N(C)C 331250176 ZAKDGGORLJKQAG-JSGCOSHPSA-N 299.418 3.698 30 20 CHED CCc1ccnc(C/N=C(/O)N[C@H]2CCCCC2(C)C)c1 331228344 GLVYZUXWDRLLMW-HNNXBMFYSA-N 289.423 3.616 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 336105442 IYUTVJFYIMAUIN-UHFFFAOYSA-N 289.766 3.642 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCCC)CCCC 437933915 OKIDCWHTACLDIC-JKSUJKDBSA-N 296.455 3.579 30 20 CHED C=C[C@H](C)NC(=O)c1cc2ccccc2cc1OC(F)F 90654166 ZGTNFSMAPPDMTM-JTQLQIEISA-N 291.297 3.746 30 20 CHED CCC[C@H](CNCC1(CC#N)CC1)c1ccccc1 430049387 YURFNDXCBLVWJU-MRXNPFEDSA-N 256.393 3.854 30 20 CHED C=CCCCCCN(C)Cc1nc2ccccc2n1C 533289431 JXSQMDXLGXIYMA-UHFFFAOYSA-N 271.408 3.752 30 20 CHED N#Cc1cnccc1/C=C\c1cc(Cl)cc2c1OCC2 349114964 WCNNVWJGQOQTNR-UPHRSURJSA-N 282.730 3.712 30 20 CHED C=CCC(C)(C)C(=O)Nc1nnc(C(CC)CC)s1 432417170 UHPOURJXDAAELG-UHFFFAOYSA-N 281.425 3.983 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@H](C)C1 345061049 SOPCOZSCJPBTGB-QWHCGFSZSA-N 263.406 3.699 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 437293647 WWBMRWHVBFFELQ-CKUKBARFSA-N 279.330 3.539 30 20 CHED COc1ccc(-n2ccnc2SCC2(C#N)CC2)c(C)c1 342430428 FYHDJWXPVUWJPN-UHFFFAOYSA-N 299.399 3.585 30 20 CHED C=CCCCCCN(C)S(=O)(=O)c1ccc(C)c(F)c1 523518350 WWNWRUIEGUXLHG-UHFFFAOYSA-N 299.411 3.501 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 249177572 GDNOJSKCNGVXHF-FQUUOJAGSA-N 293.373 3.660 30 20 CHED Cc1cccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c1 345372444 KYDPLRYMIZZFIO-CQSZACIVSA-N 289.338 3.670 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1 248825738 LXSYMGSCFHCDBE-BZZMCLGOSA-N 284.403 3.579 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@H](C)C2(CCC2)C1 343078485 MCEWESWXPFULED-INIZCTEOSA-N 293.451 3.788 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCCCC)C(C)C 438454967 MRVJBYNLHJUMNI-JKSUJKDBSA-N 296.455 3.578 30 20 CHED Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCCCC#N)cc1 345819752 SUZMVEOYIOKSGG-DOTOQJQBSA-N 299.418 3.781 30 20 CHED CC(C)(CN(CCC#N)CC1CC1)c1ccccc1 180057412 HRJCFDIQFCRXQC-UHFFFAOYSA-N 256.393 3.590 30 20 CHED CC(C)CN(C)C(=O)c1cn(CCCC#N)c2ccccc12 345693620 GYRNXGOQBDIQTN-UHFFFAOYSA-N 297.402 3.673 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2cccc(C#N)c2C)c1 431933744 BDRWTIGGFWYZLS-UHFFFAOYSA-N 293.370 3.839 30 20 CHED C=CC[C@H](C)NC(=O)NC[C@H](c1ccccc1)C(C)C 522594179 FAOOYOLZOQLCHD-HOCLYGCPSA-N 274.408 3.690 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)Nc1ccc(CC#N)cc1 602613781 QAPBSMWZUNPADD-KSSFIOAISA-N 280.371 3.941 30 20 CHED C=C(CNC(=O)CCc1ccsc1)c1ccccc1 345865099 RYXRLAGTPKISKG-UHFFFAOYSA-N 271.385 3.510 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cccc(C#N)c1 348216214 OIQSXWIZWLLRLV-ZDUSSCGKSA-N 255.365 3.539 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](C)Sc1ccccc1Cl 608816831 ZTWNWMCXZGMKNX-WDEREUQCSA-N 296.823 3.629 30 20 CHED C=CCCCCN[C@H](C)c1ccc(NC(C)=O)cc1OC 349357536 UBRDMELVIWSFPW-CYBMUJFWSA-N 290.407 3.661 30 20 CHED C=CCN(CC=C)C(=O)c1ccc2sccc2c1 348467142 USEKYJTYHQQTEY-UHFFFAOYSA-N 257.358 3.716 30 20 CHED COc1ccc(/C=C\C(=O)c2occc2C)c(OC)c1 255710262 PBDPPMLFACSPGD-ALCCZGGFSA-N 272.300 3.501 30 20 CHED CCN(Cc1ccnc(C)c1)[C@H](C)c1ccc(C#N)cc1 527535063 USMIUZWUYNDYSS-OAHLLOKOSA-N 279.387 3.845 30 20 CHED C=CCCN(C)C(=O)Nc1nc2c(s1)CCCCCC2 441932524 JSAAZKLMFMDXTL-UHFFFAOYSA-N 293.436 3.842 30 20 CHED CCc1ccc(N=Cc2cccc(OC)c2O)cc1 254383346 GFLDSWLYSPGGDZ-UHFFFAOYSA-N 255.317 3.714 30 20 CHED C=CCC[C@H](CCC)NC[C@@H](c1ccccc1)c1nc[nH]n1 449670889 QMKDJVNXYLMHFI-IRXDYDNUSA-N 298.434 3.661 30 20 CHED COCC1(C#N)CCN(Cc2cccc3ccccc23)CC1 342027055 XJTVSKCYSDOJGZ-UHFFFAOYSA-N 294.398 3.592 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1cc2occc2s1 609854805 GLIZZVPMWNNXTF-UHFFFAOYSA-N 296.351 3.638 30 20 CHED CCCOc1cccc(/C=C\c2ccc(C#N)cn2)c1 255117854 FXCWIHYZQDGOTC-VURMDHGXSA-N 264.328 3.912 30 20 CHED CN(Cc1cc(F)cc(F)c1)Cc1ccc(F)cc1C#N 444708016 QTFANNNQRVOQKQ-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C[C@H](C#N)C(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)no1 609921885 QRLJJKYQFZBZFL-LLVKDONJSA-N 297.358 3.737 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CC(C)(C)c2ccccc21 602578093 VFYQGMMVYPPMTR-BBRMVZONSA-N 256.393 3.938 30 20 CHED C=CCCCSCC(=O)N(C)Cc1ccccc1C 357028247 OECAKDIFBZHFQZ-UHFFFAOYSA-N 277.433 3.653 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCc3c(C)cccc32)CC1 601317473 NLFKVDSZPSKGIN-QGZVFWFLSA-N 284.403 3.590 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2CC[C@H](C)C2)c1 538445605 KNAORWAZHQLTSN-QWHCGFSZSA-N 259.349 3.626 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1CCCc2ccc(C)cc21 358954385 UVCBZBMNJGSIKR-CJNGLKHVSA-N 272.392 3.636 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)Cc1ccccc1F 538293736 JEUMGQGFPVIZOR-KGLIPLIRSA-N 292.398 3.801 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)c1cncc(F)c1 444674868 LZFSLUNPFXGNQY-LBPRGKRZSA-N 263.360 3.591 30 20 CHED CC[C@H](N[C@@H](C)C(F)(F)F)c1ccc(C#N)cc1 352608686 OHHVFFOGNAEAOT-CABZTGNLSA-N 256.271 3.550 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2ccc(C#N)c(F)c2)c1 353548667 MSMYLJHTWATQFY-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C[C@@H](C#N)CN(C)CCCc1c(F)cccc1Cl 447742543 DBGMSERPAMVLHW-NSHDSACASA-N 268.763 3.503 30 20 CHED CCCCc1ccc(C(=O)N2CCC(CC#N)CC2)cc1 611678111 AKHFHPMKUNZTLQ-UHFFFAOYSA-N 284.403 3.795 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2CCc3ccccc32)ccc1F 261479302 LWBCTLDQVWPOFD-ZDUSSCGKSA-N 294.329 3.756 30 20 CHED C=C1CCN(C(=O)CCc2ccc(OCCC)cc2)CC1 266345240 MOHNSNZWPLELGZ-UHFFFAOYSA-N 287.403 3.587 30 20 CHED CCN(Cc1ccc(OC)nc1)[C@@H](C)c1ccc(C#N)cc1 267166912 BHPHRIJHFHPIRK-AWEZNQCLSA-N 295.386 3.545 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ncnc2[nH]ccc12 359848322 BNSIGKGIGJNHHI-UHFFFAOYSA-N 278.359 3.541 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)C2CCC(C)(C)CC2)C1 532281835 VSVVMYHLHHYRIW-GUYCJALGSA-N 276.424 3.791 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1c(Cl)oc2ccccc12 449546412 BQVXLGVFBIRCKF-KGLIPLIRSA-N 291.778 3.909 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2csc(C)n2)cc1 264589286 LILBOSRDNAIVEA-LBPRGKRZSA-N 288.416 3.867 30 20 CHED C=CCCC1(C(=O)NCCCn2ccc3ccccc32)CC1 353537556 SHXRWAZKEAYJKZ-UHFFFAOYSA-N 296.414 3.894 30 20 CHED CC(C)(C#N)C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 456786471 XHTLXBAODUUURT-HZPDHXFCSA-N 284.403 3.626 30 20 CHED CC[C@@H](NC(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)s1 265182627 YVKOLICFFNZOOW-VHSXEESVSA-N 299.827 3.654 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)[C@H](C)C(C)C)cc1 265015816 MXXHYPNUIWWDEF-CQSZACIVSA-N 288.391 3.624 30 20 CHED N#Cc1ccncc1N[C@H]1CCC[C@H]1c1ccccc1 536706445 ICNIAMNUFZCKSO-HOTGVXAUSA-N 263.344 3.701 30 20 CHED C=C[C@H](C)NC(=O)c1oc2ccccc2c1COC(C)C 362601228 PIPYMEFCQWRZNC-LBPRGKRZSA-N 287.359 3.662 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OC)c(SC)c1 459688117 WFNFVJOPWCXTKS-UHFFFAOYSA-N 294.420 3.895 30 20 CHED CC(C)(CC#N)CNCc1ccc(F)cc1C(F)(F)F 459684084 BQCLYOCDDFSHKL-UHFFFAOYSA-N 288.288 3.874 30 20 CHED C=CCCCCNC(=O)c1c(Cl)cc(C#N)cc1Cl 613826739 SAXPTQIGPUGLQS-UHFFFAOYSA-N 297.185 3.951 30 20 CHED CCN(CC1CCC1)c1ncc(Cl)c(C)c1C#N 360053984 MIPPRJHYCVMMGS-UHFFFAOYSA-N 263.772 3.542 30 20 CHED N#CCCCC(=O)N1CCC[C@@H]1CCC1CCCC1 360374088 HHGALAWKSJXBPW-OAHLLOKOSA-N 262.397 3.642 30 20 CHED CCOc1ccc([C@H]2CCCN2CC2(C#N)CCC2)cc1 450219408 CZLOQCKUZLJKSY-QGZVFWFLSA-N 284.403 3.916 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CSc3ccccc32)CC1 452216386 YIJQVJSUYKVAJN-ZDUSSCGKSA-N 287.428 3.739 30 20 CHED CCC(C)(C)C1CCC(NC(=O)NCC(C)(C)C#N)CC1 611622841 NJRMGNPXDOFPQQ-UHFFFAOYSA-N 293.455 3.830 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 274600422 PSILUMHFDUFPIM-INIZCTEOSA-N 288.435 3.530 30 20 CHED CCOC(=O)CCCSc1ccc(Cl)cc1C#N 610654752 XFBPOFKLPFSDPN-UHFFFAOYSA-N 283.780 3.647 30 20 CHED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)CCCC#N 360546207 NGLVVTSSSDLWES-UHFFFAOYSA-N 297.333 3.829 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1CC(F)(F)F 278366713 OSSFABFERGQMMK-UHFFFAOYSA-N 284.281 3.670 30 20 CHED Cc1[nH]c2c(C(=O)NCC(C)(C)CCC#N)cccc2c1C 360411327 OPSYWNHDISGNBB-UHFFFAOYSA-N 297.402 3.845 30 20 CHED C=CCCc1noc(-c2ccc(CN(CC)CC)cc2)n1 453247022 MVPSCMLQRINJLM-UHFFFAOYSA-N 285.391 3.697 30 20 CHED CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1cc(C#N)ccc1Cl 457235093 LWIFGBRQFGWLNI-ZBFHGGJFSA-N 290.794 3.766 30 20 CHED Cc1ccc(-c2nnc(S[C@@H]3CC[C@H](C#N)C3)n2C)cc1 278552484 LPDWJHZOIMGBDL-GXTWGEPZSA-N 298.415 3.575 30 20 CHED CC(C)CCCNC(=O)Nc1ccc(CC#N)cc1Cl 455746328 HMFCAYAFQHKTOP-UHFFFAOYSA-N 293.798 3.964 30 20 CHED C=CCOCCCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 451019685 WYFUUULWOOLHFZ-QGZVFWFLSA-N 299.418 3.601 30 20 CHED CCC1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 279911210 MDEWQQJIDAZVOH-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C[C@H](NC(=O)N(C)CC(C)(C)C#N)[C@H](C)C1CCCCC1 458502879 KAWDIHKSDXCPBM-KBPBESRZSA-N 293.455 3.782 30 20 CHED C=CCCCCNC(=O)c1oc2ccccc2c1COC 274517905 ZGKHBFMWFKSZOR-UHFFFAOYSA-N 287.359 3.665 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@@H]1C[C@H]2CC[C@H]1O2 450216344 PXDWLDHOUKFKJZ-OUCADQQQSA-N 297.851 3.957 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccccc1Cc1ccccc1 469443636 ZPOHHLOWCQNKNW-LJQANCHMSA-N 295.382 3.543 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)CSc1ccccc1 466527795 FJRDEZBWNHTOFE-ZIAGYGMSSA-N 277.433 3.886 30 20 CHED C=CCCN(C)C(=O)[C@@H](Oc1ccc(Cl)cc1)C(C)C 462314492 DZLVOHYLVUVYNT-HNNXBMFYSA-N 295.810 3.778 30 20 CHED C=CCC[C@@H](C(=O)NCC(=O)C1CCCC1)c1ccccc1 628991897 CBYROCCVUUYXJH-QGZVFWFLSA-N 299.414 3.612 30 20 CHED N#Cc1ccc(CN(C#N)c2ccccc2)c(OC(F)F)c1 467760990 XKOIVGIIPNLBCG-UHFFFAOYSA-N 299.280 3.647 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(OC(F)F)c(OC)c1 552875312 MTOUNIIOUXNRGD-LLVKDONJSA-N 285.334 3.913 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1ccc(OC)cc1 280928473 UWWOUSVNWJHFPK-NJAFHUGGSA-N 289.419 3.717 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1cc(C)on1 378441725 AONOFJNMHNYCLU-DOMZBBRYSA-N 291.395 3.574 30 20 CHED CN(C)[C@@H](CNc1ccc(C#N)cc1F)C1CCCCC1 462929391 MLTBSPXHSPCZRV-KRWDZBQOSA-N 289.398 3.620 30 20 CHED CC[C@](C)(C#N)C(=O)NCC1(c2ccccc2)CCCC1 285003281 AYERNWSCNGYLIC-QGZVFWFLSA-N 284.403 3.554 30 20 CHED N#Cc1ccc(C2=CCN(CCC(F)(F)F)CC2)cc1 378356851 PUTIVUQLMBBVFF-UHFFFAOYSA-N 280.293 3.600 30 20 CHED C=C[C@](C)(O)CC(=O)N(CCCC)[C@@H]1CCC[C@@H](C)C1 554624142 IURQAWZMDVJXFX-INMHGKMJSA-N 281.440 3.521 30 20 CHED Cc1csc(NC(=O)[C@@H]2CCCC(F)(F)C2)c1C#N 288943711 XWVZKDIVUXWGOZ-SECBINFHSA-N 284.331 3.692 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCc1ccccc1 280529070 BSEPJIRYSXELBK-NJAFHUGGSA-N 273.420 3.579 30 20 CHED C[C@@H](SCc1cccc(C#N)c1)C(=O)OC(C)(C)C 281241747 VGACVCLUPPETKJ-LLVKDONJSA-N 277.389 3.522 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1cc2ccccc2o1 281215968 CROSFVRUCUPKEF-CQSZACIVSA-N 286.375 3.929 30 20 CHED C=CC[C@@H](CC)NC1CCC(C(=O)OC(C)(C)C)CC1 467405792 HKCIUCCJVNBQDY-SHARSMKWSA-N 281.440 3.831 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC)CCc1cccs1 281388437 OVVGUUIPLMKFQS-ZDUSSCGKSA-N 280.437 3.677 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(CC)s1 280795786 KACKKGORAUZJTF-XEZPLFJOSA-N 279.449 3.942 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 292613096 IDOYIYRSLCITFB-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)C(C)(F)F 293920634 XVEKZEIMZOMZLH-LBPRGKRZSA-N 297.345 3.501 30 20 CHED N#CC1(COC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CCC1 802765910 RTDXEZMYVHPMGB-QLFBSQMISA-N 275.392 3.830 30 20 CHED C#CC[C@@H](NC(=O)N[C@H](C)c1ccsc1)c1ccccc1 801045420 ZDUIJSKCADJYHR-CZUORRHYSA-N 298.411 3.873 30 20 CHED Oc1ccc(Cl)cc1/C=N\C[C@@H]1COc2ccccc21 809144350 LEYAGGAZOWSJTG-DREQZYJFSA-N 287.746 3.641 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@@H](O)c1ccc(C)cc1 804491067 VWUPDXPPFCZEJF-MAUKXSAKSA-N 291.435 3.894 30 20 CHED C=CCCCCCCNC(=O)N1C[C@@H](C)C[C@H]1C 806004409 HSSUOPQMXWOKIB-UONOGXRCSA-N 252.402 3.563 30 20 CHED C#C[C@H](C)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 809682905 IFAYYTSQTHTVJL-GLQYFDAESA-N 281.321 3.953 30 20 CHED C=CCOc1ccc(C(=O)NCc2ccc(F)c(C)c2)cc1 641987553 QDLJXGAKUMQYPE-UHFFFAOYSA-N 299.345 3.629 30 20 CHED CCc1nc(C)c(CN[C@H](CC)c2ccc(C#N)cc2)o1 291927120 OLSIIYLZEUDNDZ-OAHLLOKOSA-N 283.375 3.658 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C)c1cc(C)ccn1 290509727 WYKLVGILQPPPRC-ZDUSSCGKSA-N 281.359 3.834 30 20 CHED CC[C@H](C)CCC(=O)OCc1cc(F)ccc1C#N 803880043 UFWZYXFAYPNYLS-NSHDSACASA-N 263.312 3.567 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 291527547 ZFUOBLDRLYLGDN-HZPDHXFCSA-N 284.403 3.791 30 20 CHED C=CCCCn1nc(C(F)(F)F)c(Cl)c1C 647880872 YGWGETGAGSVIGX-UHFFFAOYSA-N 252.667 3.830 30 20 CHED C=CCCC1(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)CC1 565016200 REOQRSGCGHEGNR-HOCLYGCPSA-N 269.388 3.952 30 20 CHED Cc1ccc(C)c(C(=O)COC(=O)CCCCCC#N)c1 805695566 ACTLTYNVPBJUGS-UHFFFAOYSA-N 287.359 3.503 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](CC)Oc1cccc(F)c1 560228552 XYKURHCBSDQNSJ-AWEZNQCLSA-N 293.382 3.702 30 20 CHED CC(C)[C@H](C)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 298384121 HZIHEABVZUTHAJ-JTQLQIEISA-N 279.771 3.720 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N[C@H](C#N)C(C)(C)C 291363892 BVQKIALCJDLLDK-UONOGXRCSA-N 290.432 3.612 30 20 CHED C=CCCc1noc([C@H]2C[C@]23CCc2ccccc23)n1 297199536 FWLSTMLZMPNELN-PBHICJAKSA-N 266.344 3.560 30 20 CHED C=CCCCCNC(=O)N1CCCC[C@@H]1CCC 474085483 WYZTZVXJPPKMNC-AWEZNQCLSA-N 252.402 3.707 30 20 CHED C=CCCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 294264487 SFRPKRXPYPPVKY-MRXNPFEDSA-N 255.361 3.706 30 20 CHED CCOC1(C)CCN([C@H](C)c2cccc(C#N)c2)CC1 298202368 CLUQGZRVOMHAGH-CQSZACIVSA-N 272.392 3.510 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1N1CCCCCC1 806183634 HNTKAYBOIPXATF-HNNXBMFYSA-N 299.418 3.600 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC(CC)(CC)CC1)OCC 485544171 KWPXNWHFJYMUSC-HNNXBMFYSA-N 281.440 3.787 30 20 CHED CC1CCC(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 568841595 OPIOFCULCLOSSP-JOCCRWCTSA-N 296.414 3.604 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1CC1CCCCC1 483428465 OBGFJWDYMYGXDB-INIZCTEOSA-N 276.424 3.544 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C(F)(F)CC=C 816349211 LRHLSNPQXZBNAS-UHFFFAOYSA-N 295.329 3.734 30 20 CHED Oc1cccc(C=NNc2cccc(Cl)n2)c1Cl 814939225 IVJPYKGOHFXDJG-UHFFFAOYSA-N 282.130 3.540 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1cn(C)nc1C 812232413 GWCSQGHMAQVDNI-UHFFFAOYSA-N 284.407 3.996 30 20 CHED N#Cc1cccc(COc2cc(F)c(Cl)cc2C=O)c1 814784400 MECJWVZLMMZCJR-UHFFFAOYSA-N 289.693 3.742 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 816021538 RWHDHMZNYNQJFK-JQPIKURYSA-N 291.341 3.902 30 20 CHED C=CCOCCCC(=O)N[C@H](C)[C@@H](C)C1CCCCC1 480373968 YWOOHOSCALPVIF-HUUCEWRRSA-N 281.440 3.690 30 20 CHED C=CCOc1ccccc1C(=O)N(CC)CC(C)(C)C 485443326 DWPZHVYIFOOCFG-UHFFFAOYSA-N 275.392 3.760 30 20 CHED C#C[C@H](C)N(C)C(=O)NCCCCCCCCC=C 812383266 JZLUCZZAZKAARF-HNNXBMFYSA-N 264.413 3.566 30 20 CHED CC(C)[C@@H]1N(Cc2ccc(O[C@H](C)C#N)cc2)CC12CCC2 814171020 HLUSRWMDFMQYAS-QAPCUYQASA-N 298.430 3.988 30 20 CHED CCC(=NNc1ccc(C)cc1)c1cccc(N)c1 814685866 PWKKJRVEPHNDBH-UHFFFAOYSA-N 253.349 3.803 30 20 CHED C=Cc1ccc(CC/N=C/c2cccc(OC)c2O)cc1 812444778 NHJSEPJDIAHGDL-CPNJWEJPSA-N 281.355 3.705 30 20 CHED COc1cc(CN2CCC(CCC#N)CC2)ccc1C 571683530 SFIOFGMNGWONDP-UHFFFAOYSA-N 272.392 3.519 30 20 CHED CCCC(=NNCc1ccc(F)c(F)c1)c1cccnc1 814808507 NMHXIHSVWYKSIZ-UHFFFAOYSA-N 289.329 3.654 30 20 CHED C=CC[C@H](C(=O)NCC(CC)CC)c1ccccc1 488332237 NITSAWVGSCWKMO-INIZCTEOSA-N 259.393 3.899 30 20 CHED C#C[C@@H](NCc1ccccc1O)c1ccc(Cl)cc1 811517569 WGDFKGNUONCOKF-OAHLLOKOSA-N 271.747 3.510 30 20 CHED CCn1c(C)cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1C 727636113 GMRPBOWYTMDCNK-AWEZNQCLSA-N 296.370 3.915 30 20 CHED Cc1c[nH]nc1C=NNc1cc(C)c2ccc(C)c(C)c2n1 814768847 CFOTWHQCUZIAMH-UHFFFAOYSA-N 293.374 3.638 30 20 CHED COc1ccc(F)cc1/C=C1/Cc2c(C)cccc2C1=O 812241257 FYRXVWPWTPZYLT-JYRVWZFOSA-N 282.314 3.965 30 20 CHED COc1ccc(C(C)=NNc2ccc(Cl)cc2)cc1O 811628567 BKELHCHQKGJIRV-UHFFFAOYSA-N 290.750 3.890 30 20 CHED C=CCCCC(=O)N1CCCc2c(C)ccc(F)c21 481460400 CCCIRWCCDJGREO-UHFFFAOYSA-N 261.340 3.770 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OCC)cc1C 488327143 DQYYVUVYDAUGLU-CQSZACIVSA-N 288.391 3.966 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1sc(C)nc1C 726737055 GCALIYFOGDSJGE-UHFFFAOYSA-N 295.358 3.552 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c1C#N 579361190 VJCRCQIACANYBU-QWHCGFSZSA-N 288.416 3.865 30 20 CHED Oc1c(Cl)cc(Cl)cc1C=NNC1CCCC1 727652607 TVUDKHUFEWXCSD-UHFFFAOYSA-N 273.163 3.565 30 20 CHED C#Cc1cccc(N(CC)Cc2nc3ccccc3n2C)c1 728573001 HVMTZCKXUVMILI-UHFFFAOYSA-N 289.382 3.581 30 20 CHED C=CCSc1nnc2c3ccccc3n(CCC)c2n1 495476853 YWKXPUVWQFVGKI-UHFFFAOYSA-N 284.388 3.668 30 20 CHED N#CC1(CC(=O)N2CC[C@@H]2Cc2ccccc2)CCCCC1 829552576 AQCREZMVUMVUOG-QGZVFWFLSA-N 296.414 3.694 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)CCC2CC2)C1 661037401 KEYDHWGPVWDADC-DZGCQCFKSA-N 264.413 3.563 30 20 CHED CC[C@H](C)[C@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 726478759 QECGIUIBASJQDX-UWVGGRQHSA-N 295.839 3.933 30 20 CHED CC[C@H](NC(=O)C#CC(C)C)c1ccc(Cl)cc1 820185882 FQDUBQNBKDDSIJ-AWEZNQCLSA-N 263.768 3.567 30 20 CHED C#CCN(C(=S)Nc1cccc(C(C)C)c1)C(C)C 905652419 SGSFBBLLLOLPQN-UHFFFAOYSA-N 274.433 3.850 30 20 CHED C[C@@H]1CN(C(=O)CCCCCC#N)[C@H]1c1ccccc1 588623938 CRCXHPNJXKAEEV-RHSMWYFYSA-N 270.376 3.680 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccn1)C1CC1)CC2 903334485 AOIZZAZKDYBFLR-IEBWSBKVSA-N 289.382 3.681 30 20 CHED O=C(/C=C/c1ccccc1F)c1ccc([N+](=O)[O-])cc1F 821002446 LSTGXXCATSGCRE-VMPITWQZSA-N 289.237 3.769 30 20 CHED C=C(Br)CN1C[C@H](c2ccccc2)C[C@@H]1C 734641184 XCCJDFSLCHSWNP-GXTWGEPZSA-N 280.209 3.773 30 20 CHED N#CC1(CCOC(=O)Cc2cccc(F)c2)CCCCC1 839996337 YVKYUNNXLMXELI-UHFFFAOYSA-N 289.350 3.776 30 20 CHED C=C(C)CNC(=S)N1CCC(c2ccccc2C)CC1 730152147 CAYKFTZHORNUKQ-UHFFFAOYSA-N 288.460 3.625 30 20 CHED C=CCN(CCc1ccco1)C[C@H](CC)CC(F)F 660226242 VSFQGZCKZHXTBW-CYBMUJFWSA-N 271.351 3.992 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCc3nc(CC)sc32)c1 834904050 UYPRYNXPBFHSGC-OAHLLOKOSA-N 296.439 3.854 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)C2(C#N)CCCCC2)[C@H](C)C1 736031732 CKBURZCRJOHKTM-MGPQQGTHSA-N 263.381 3.828 30 20 CHED Cc1cc[nH]c1C(=O)Nc1cc(C(C)(C)C)sc1C#N 904052056 CNUSKKRQHOOXLF-UHFFFAOYSA-N 287.388 3.806 30 20 CHED CSc1c(F)cccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839058719 LGHIXCXGZRUNHU-GHMZBOCLSA-N 293.363 3.787 30 20 CHED C[C@@H](c1ccccc1)N(C)CCOCc1ccc(C#N)cc1 580798179 WXCXHYUUTFXKTD-INIZCTEOSA-N 294.398 3.768 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)C(=O)c2ccccc2)CCC1 831596506 TYNGXHOXULJYBG-HNNXBMFYSA-N 285.387 3.511 30 20 CHED C=CCCC[C@H](C)N[C@@H](C(=O)O)c1cccc(Cl)c1 833373973 LXRAJRZZYACJQQ-SMDDNHRTSA-N 281.783 3.800 30 20 CHED CCCCCCCCOC(=O)/C=C/C1CCOCC1 732692795 MTSWUUSUMHNHCZ-CMDGGOBGSA-N 268.397 3.873 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=S)NC1CC1 731322067 UCCFWLWMGXEKSX-JTQLQIEISA-N 291.445 3.530 30 20 CHED CCCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)C 584847935 ZQDAYOBWTWRTQR-UHFFFAOYSA-N 290.411 3.767 30 20 CHED C#CCOc1ccccc1OCc1csc(CCC)n1 730566768 GCZXPVUOEOLYIN-UHFFFAOYSA-N 287.384 3.687 30 20 CHED C=C(CNC(=O)COc1cc(C)cc(C)c1)c1ccccc1 672481547 UUQOEIATRUAUGK-UHFFFAOYSA-N 295.382 3.512 30 20 CHED C=CCCC(=O)CSc1ncc(-c2ccccc2)[nH]1 677806988 XHLUSYLSYQHAJG-UHFFFAOYSA-N 272.373 3.704 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 915933333 TWSBTLKQECRSFE-UHFFFAOYSA-N 288.734 3.874 30 20 CHED CCCCNN=C(C)c1ccc(OCC)c(OCC)c1 915966323 PZXVCPWGCSHDRO-UHFFFAOYSA-N 278.396 3.598 30 20 CHED C#Cc1ccc(CN[C@@H](C)CCCc2cccnc2)cc1 839150029 IGEMNGMWDKMVSL-INIZCTEOSA-N 278.399 3.564 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)c1ccc(C2CC2)cc1 832276432 VJWNKKMAPBKEBS-UHFFFAOYSA-N 295.304 3.592 30 20 CHED CC(C)(C)n1cc(CSc2cccc(C#N)c2)cn1 594890081 LOQRBBXNIOZXPQ-UHFFFAOYSA-N 271.389 3.802 30 20 CHED COCCOc1cccc(/C=C/C(=O)c2ccc(C)o2)c1 917144068 XZRCGWJAGZJQMJ-BQYQJAHWSA-N 286.327 3.509 30 20 CHED C=CCN(C(=O)Nc1ccc(OC(C)C)cc1)C(C)C 916709716 XATAQQNTDVCCCV-UHFFFAOYSA-N 276.380 3.902 30 20 CHED C[C@H](C#N)N(CCCc1ccc(Cl)cc1)C1CC1 595720701 LIABXZUURVFWDF-GFCCVEGCSA-N 262.784 3.649 30 20 CHED CCCCN(Cc1ccccc1F)C(=O)[C@H](C#N)CC 593402268 JJHWRGZLGXGTTA-ZDUSSCGKSA-N 276.355 3.504 30 20 CHED Cc1ccc([C@@H](O)C/N=C/c2c(O)ccc3ccccc23)o1 741165026 DPGNAZFWSHWAES-AEUYPJEVSA-N 295.338 3.599 30 20 CHED CC(C)COc1ccccc1NCC1(CC#N)CC1 594700500 JBSNYAHPCWEZGM-UHFFFAOYSA-N 258.365 3.827 30 20 CHED CCCC(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 916955480 RBYVRSNQZANZNU-DOMZBBRYSA-N 286.375 3.648 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(C)c1 743058529 IUIFWGDKZVDCIX-UHFFFAOYSA-N 298.317 3.790 30 20 CHED Clc1ccc(-c2noc(NN=CC3CCCC3)n2)cc1 741842528 KRXXWCOEKYECBY-UHFFFAOYSA-N 290.754 3.978 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 916245056 QYJOYAJIVMSWTG-UHFFFAOYSA-N 295.342 3.920 30 20 CHED C=C[C@@H](C)ON=Cc1sc2nc(C)nc(C)c2c1C 844623772 IOQBUKGECHZRQO-MRVPVSSYSA-N 275.377 3.542 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cccc(CSCC)c1 844543377 ICFHXESOWWRRHS-LLVKDONJSA-N 280.393 3.567 30 20 CHED CC(C)c1nc(CNCC2(C#N)CCCC2)c2ccccn12 593655014 VARYQWXDXZXWLK-UHFFFAOYSA-N 296.418 3.631 30 20 CHED CC(C)(C#N)C(=O)OCCCOc1cccc2ccccc12 919352312 CKWIKYNPTJIWTN-UHFFFAOYSA-N 297.354 3.702 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1F 590632005 PPZINALHMWSWJA-DZGCQCFKSA-N 288.366 3.530 30 20 CHED CC(C)(C)C1=CCN(c2nc(C#N)c(Cl)s2)CC1 596181316 ZREOTQBYUIGFMQ-UHFFFAOYSA-N 281.812 3.851 30 20 CHED N#Cc1cccc(CC(=O)N2CC[C@H](C3CCCCC3)C2)c1 598151907 BIROPSMHKHRRBI-SFHVURJKSA-N 296.414 3.530 30 20 CHED CCC(=NNc1nc(O)c2ccccc2n1)[C@@H]1CC1(C)C 841628906 DXHPEILKLYGOAI-NSHDSACASA-N 284.363 3.559 30 20 CHED CCCCCCCC(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C 919222233 QHQLZZVKPBVZFY-GJZGRUSLSA-N 297.439 3.585 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)/C=C/CCC 840538630 QUCRXEJGQDVSLQ-UDYBNVKDSA-N 257.377 3.646 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N[C@@H](C#N)C1CCCCC1 599629979 PTQVDTDREQTZIF-YJBOKZPZSA-N 298.430 3.762 30 20 CHED Cc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)s1 749745079 FBFDXYABYHNICD-QPEQYQDCSA-N 260.289 3.812 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 845222751 BDEMSZSHYYFATQ-QLFBSQMISA-N 275.392 3.852 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)C#Cc2ccccc2)cc1 747352681 IMCPWICGQBENSK-IBGZPJMESA-N 289.378 3.710 30 20 CHED N#CC1(CC(=O)Nc2ccc(F)c(F)c2F)CCCCC1 598798137 TWYKYHSXRXONOJ-UHFFFAOYSA-N 296.292 3.907 30 20 CHED CC(C)[C@@]1(C)C[C@H]1Nc1snc(Cl)c1C#N 840338595 DBAAZDLUIVSWPW-LDYMZIIASA-N 255.774 3.515 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccc(F)c(F)c1 748935153 JRARJIAFICLHFT-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#CC1CCN(C(=O)C[C@H](C)c2ccc(CC)cc2)CC1 843706261 OOTVFXLGNTWUIE-HNNXBMFYSA-N 283.415 3.614 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1ccc(OC)cc1 595057817 XMFDLAGYQJYCMK-IBGZPJMESA-N 294.398 3.850 30 20 CHED C=C1CCC(C(=O)Nc2cnn(C3CCCC3)c2)CC1 928795979 BCPRBNVJYLTFCZ-UHFFFAOYSA-N 273.380 3.683 30 20 CHED C=CCOc1ccc(OC(=O)C[C@@H](C)CCC)cc1 742859858 BJOWWBSVQVYDMQ-ZDUSSCGKSA-N 262.349 3.983 30 20 CHED C=C(C)[C@H](CC(=O)OCCC1(C#N)CCCCC1)OCC 840370437 WZUBVIPAOSTRTC-HNNXBMFYSA-N 293.407 3.765 30 20 CHED C=C(C)CNCc1ccc(OC)c(O[C@@H](C)CC)c1 682168339 FBGZCRPZEBMTRO-ZDUSSCGKSA-N 263.381 3.538 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccccc2COC)no1 680706024 AXCVUAFUGXVFDS-GFCCVEGCSA-N 288.347 3.537 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1ccccc1OCC 853783754 YCRFQNOQKBUHRV-LLVKDONJSA-N 299.823 3.898 30 20 CHED C#C[C@@H](C)OC(=O)c1cc(C2CC2)nc2ccc(C)cc12 751847657 BYBSGYBGRFYZKM-GFCCVEGCSA-N 279.339 3.599 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(OC(C)C)cc1 853002361 LSIQMJSHGUCXPB-JXMROGBWSA-N 298.386 3.976 30 20 CHED C#CC[C@@H](NC(=O)N1CCC(C(C)C)CC1)c1ccccc1 757778791 QYUCQTJIWYTUAF-GOSISDBHSA-N 298.430 3.829 30 20 CHED C[C@@H]1CCCCN1N=Cc1ccc2c(c1)COC(C)(C)O2 853380783 WUXQGOMFSCJCJH-CYBMUJFWSA-N 288.391 3.540 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C/c1ccccc1F 851214395 PZACRUDZFVDEPY-IDVQTMNDSA-N 275.323 3.710 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2cccc3c2CCCC3)c1 920943321 VCYCMQDTSPABOS-UHFFFAOYSA-N 296.326 3.930 30 20 CHED C=CCCC[C@@H](C)NC(=O)OCc1cccc(OC)c1 859096639 CLWNAZOENQYFBV-CYBMUJFWSA-N 277.364 3.666 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 753040993 WBDSKUYAOCRYJA-MWLCHTKSSA-N 299.201 3.765 30 20 CHED CC(/C=C/C(=O)c1cc(O)ccc1O)=C\c1ccccc1 757468824 YGYOVAWIKXMULS-PTSVWTKZSA-N 280.323 3.940 30 20 CHED N#Cc1ccc(C(=O)OCCC2CCCCC2)s1 750396118 UQUIYHZHYHHLPT-UHFFFAOYSA-N 263.362 3.747 30 20 CHED C#C[C@H](CC)NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 753266214 ZPJJFMJAWNDJFD-CRAIPNDOSA-N 298.430 3.971 30 20 CHED Cc1ccc(CC/N=C\c2cc([N+](=O)[O-])ccc2O)c(C)c1 920864157 MPBYSCJBDYJAID-WQRHYEAKSA-N 298.342 3.579 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2N)C1 852904523 LJSFHUFKSAKISW-AWEZNQCLSA-N 294.398 3.850 30 20 CHED C#CCCCCNC(=O)N[C@H](CC)c1ccc(Cl)s1 758775591 WZOKJASAUMFZTB-LLVKDONJSA-N 298.839 3.955 30 20 CHED CCC[C@H](OCC)C(=O)OCCC1(C#N)CCCCC1 859838335 OYTCWNSBSALQBD-AWEZNQCLSA-N 281.396 3.599 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccc(-n2cccn2)cc1 925191727 RHUHPJHPPRABLI-LSDHHAIUSA-N 296.418 3.851 30 20 CHED O=C1/C(=C/c2csc([N+](=O)[O-])c2)Cc2c(F)cccc21 921263584 HDINPTGSSHDAIZ-RUDMXATFSA-N 289.287 3.618 30 20 CHED Cc1ncsc1CN(C)CCCCC1(C#N)CCC1 929606246 LXCXKEVUWJKSRH-UHFFFAOYSA-N 277.437 3.748 30 20 CHED C=C(Br)CN1CC[C@@H](c2ccccc2)[C@H]1C 751777070 RQQCAZQUUDHSKK-TZMCWYRMSA-N 280.209 3.773 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H]2C[C@@H]2C1 856058266 HBXLQVZYYCDINV-HUUCEWRRSA-N 251.414 3.996 30 20 CHED C=CCN(C)C(=O)Nc1cccc(COC(C)(C)C)c1 933215158 ZKIKNYRBIGRERV-UHFFFAOYSA-N 276.380 3.651 30 20 CHED C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc[nH]1 760445395 NBMGYZHUTQDHNO-CQSZACIVSA-N 283.375 3.548 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccccc1-n1cccc1 935991918 CSAWJXPOGIUNEP-UHFFFAOYSA-N 295.386 3.537 30 20 CHED COc1ccsc1C=NNc1ccccc1Cl 764647790 CRXQLNOMAISKGV-UHFFFAOYSA-N 266.753 3.856 30 20 CHED CCCCc1oc2ccccc2c1C=NN1CCOC1=O 863162680 VCSXGZDDPHYFHM-UHFFFAOYSA-N 286.331 3.562 30 20 CHED C=CCC[C@@H](NCc1cccc(CC2CCC2)c1)C(=O)O 864510493 WTNBHSRSUKCTBI-QGZVFWFLSA-N 287.403 3.538 30 20 CHED CN(C)c1cc(F)c(CNc2ccccc2C#N)cc1F 863988547 UQTJFAIKHNBREP-UHFFFAOYSA-N 287.313 3.515 30 20 CHED C=C1CCN(C(=O)Nc2cc(Cl)ccc2F)CC1 864253601 ZJPBRYLJEFMORA-UHFFFAOYSA-N 268.719 3.663 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 932551064 DWYTYXKIIWXODV-GXTWGEPZSA-N 292.448 3.890 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(Cl)nc1 769839798 GITRYRXLUQNDTG-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C#CC[C@H](NCc1ncc(Cl)s1)c1ccccc1 769920700 XISPWLSEESRLIK-LBPRGKRZSA-N 276.792 3.651 30 20 CHED Cc1ccc(C)c(NC(=S)NN=C2CC(C(F)F)C2)c1 766009782 NTVGNYDABLEECZ-UHFFFAOYSA-N 297.374 3.621 30 20 CHED FC(F)(F)C(F)(F)CNN=C1CC(c2ccccc2)C1 863183254 ROVNHWYHEZVDNJ-UHFFFAOYSA-N 292.251 3.707 30 20 CHED C#CC[C@H](NC(=O)C[C@@H](C)c1ccco1)c1ccccc1 860433494 GVFMEFHQGNOELY-ZBFHGGJFSA-N 281.355 3.654 30 20 CHED C=CCC[C@H](CC)NCc1ccc(Br)cn1 866567865 URIGVEQVWIVMSK-LBPRGKRZSA-N 283.213 3.679 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(-c2ccc(F)cc2)s1 767232052 KMAOCUNGYJMXIV-LLVKDONJSA-N 287.359 3.648 30 20 CHED C=C(Cl)COC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 766781330 OKHOALCOQJGSKU-DTWKUNHWSA-N 290.668 3.503 30 20 CHED Clc1ccnc(NN=CC2([C@@H]3CCCCO3)CCC2)c1 872364571 OGBJWIVLFOESBB-ZDUSSCGKSA-N 293.798 3.872 30 20 CHED C=CCn1c(SCSC(C)(C)C)nnc1C1CC1 871635560 RIKKKQGOCGFQID-UHFFFAOYSA-N 283.466 3.923 30 20 CHED C=CC(C)(C)CC(=O)N1CC=C(c2ccc(O)cc2)CC1 877997796 ZHZUJEUOBIUQRU-UHFFFAOYSA-N 285.387 3.610 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccc(O)cc1 878381700 AWYUJQCBUKQCIA-OAHLLOKOSA-N 273.376 3.658 30 20 CHED CCC1(CC)C(=NNc2nccnc2C(C)C)C[C@@H]1OC 773086744 SOTABHBCHNPMQZ-ZDUSSCGKSA-N 290.411 3.593 30 20 CHED C#C[C@H](NC1c2ccccc2-c2ccccc21)[C@H]1CCCO1 775790227 HHNSKKXSHSBLNN-RBUKOAKNSA-N 289.378 3.527 30 20 CHED C#CC[C@@H](N[C@@H](CCCC)COC)c1ccccc1 773114306 IBZXMMABOFXWKE-DLBZAZTESA-N 259.393 3.546 30 20 CHED CCCCCCCCCC(=O)N1CCSC[C@@H]1C#N 775497371 JCJNWJXOELEQEK-AWEZNQCLSA-N 282.453 3.595 30 20 CHED C[C@@H](C#N)COC(=O)c1ccccc1-c1ccccc1C#N 770929938 BCMMRSDVHLBITJ-ZDUSSCGKSA-N 290.322 3.542 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2sccc2[C@H]1C 878112656 SUJXQKMPMUPKQE-LLVKDONJSA-N 263.406 3.796 30 20 CHED C#CCCNC1(c2c(Cl)cccc2Cl)CCC1 773976415 LSBSKSZOVABSBX-UHFFFAOYSA-N 268.187 3.986 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](Cc2ccccc2)C1 779917305 APIZQVDMXHMYBL-SFHVURJKSA-N 283.415 3.661 30 20 CHED COc1ccc(NC[C@@H](C)CCC#N)cc1Br 876826271 MZUVYFPLIWYMMA-JTQLQIEISA-N 297.196 3.809 30 20 CHED C=C(Cl)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 773003290 CNFVANGGNXJANK-NSHDSACASA-N 293.773 3.723 30 20 CHED N#C[C@H](OC(=O)C1=CCCCCC1)C1CCCCC1 775047036 LMOFVCOJBALKPY-HNNXBMFYSA-N 261.365 3.893 30 20 CHED C#CCCCCCCNc1ccc(F)c(NC(C)=O)c1 876832604 BIXCFCHSXGSTLQ-UHFFFAOYSA-N 276.355 3.780 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1cc2ccccc2[nH]1 775624069 XHUMXMDFDTZHDC-CYBMUJFWSA-N 275.355 3.890 30 20 CHED CC[C@@H](NC(=O)Cc1ccccc1CC#N)C1CCCCC1 776871787 NCBWHWRKQZHRLI-GOSISDBHSA-N 298.430 3.770 30 20 CHED COc1ccccc1N[C@H](C)c1ccc(C#N)c(F)c1 776751984 FFFKDXFOMDQSOP-LLVKDONJSA-N 270.307 3.879 30 20 CHED CCCCCCCCC(=O)N1CCOC[C@]1(C)CC 770883001 UAGSAFVDJSQQFI-INIZCTEOSA-N 269.429 3.765 30 20 CHED C#C[C@H](N[C@H](CC)c1ccc(Cl)cc1)[C@@H]1CCCO1 775572886 UQJCWCVBVMUREV-PMPSAXMXSA-N 277.795 3.562 30 20 CHED FC(F)(F)CCON=Cc1cccc(Cl)c1 777455582 JCVOADXFLZGIMJ-UHFFFAOYSA-N 251.635 3.643 30 20 CHED C=C1CCC(C(=O)NC[C@H](C)c2ccccc2)CC1 887715163 JYLYINAINYGPRX-AWEZNQCLSA-N 257.377 3.653 30 20 CHED C=CC[C@H](NC(=O)c1cc2c(o1)CCCC2)c1ccncc1 1123620707 PKLQJOUKLFYSTD-HNNXBMFYSA-N 296.370 3.601 30 20 CHED C#CCN(CC)Cc1ccc(OC(C)C)c(Cl)c1 778092671 XUXPHGIMONUQLO-UHFFFAOYSA-N 265.784 3.582 30 20 CHED C=CCOc1cccnc1C(=O)O[C@H](C)c1cccc(C)c1 775241544 ZZRADTBETSCGST-CQSZACIVSA-N 297.354 3.873 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1c(C)cccc1F 775718598 MHMJVVNCNKAQQQ-UHFFFAOYSA-N 298.317 3.790 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(O)c(C(C)C)c1 882655281 OQCFXIPMSFZBSO-UHFFFAOYSA-N 284.315 3.541 30 20 CHED C[C@H](/N=C/c1c(O)ccc2ccccc12)[C@H]1CCCOC1 779708434 WSZZIMYFFIWNFU-CJINARDKSA-N 283.371 3.779 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccsc1Cl 782299005 DWCYTTGNQJVLOQ-SNVBAGLBSA-N 256.802 3.904 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cc(-c2ccccc2)on1 785770079 VLEJVTFUTSSROF-KRWDZBQOSA-N 285.343 3.987 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1ccccc1O 782341901 MLXNEWJONGNNEP-VURMDHGXSA-N 275.307 3.837 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@@H]2c2cccc(C)c2C)n1 882012756 QLGPMHPEHGGSJF-QGZVFWFLSA-N 292.386 3.615 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H](SC)C(C)(C)C 783681273 ABCNEDORIQJSMO-BRYYZUPOSA-N 281.421 3.597 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NNCc1ccccc1 782223428 QPGVGUNDJLKSIM-UHFFFAOYSA-N 292.386 3.661 30 20 CHED C=C1CC(c2noc([C@H]3CC(c4ccc(C)cc4)=NO3)n2)C1 896876228 XEINKAJECSGOFT-OAHLLOKOSA-N 295.342 3.677 30 20 CHED CC(C)(C)CCNN=C[C@@H]1CCOc2ccccc21 782903715 ZVZWCGZYAQXWFD-ZDUSSCGKSA-N 260.381 3.564 30 20 CHED Cc1cc(C#N)ccc1N1CC[C@]2(C1)OCc1ccccc12 893227401 ZAJBAGZVDAZXGM-LJQANCHMSA-N 290.366 3.503 30 20 CHED CSC1(CNc2ccc(C#N)cc2CO)CCCCC1 895222110 ZNDKDAFIXYEECQ-UHFFFAOYSA-N 290.432 3.528 30 20 CHED Cc1cc(/C=C\C(=O)c2ccncc2)cc2cccnc12 783697103 MTXAYEYENXHJLF-PLNGDYQASA-N 274.323 3.834 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCCC(C)(C)C2)c1 785836128 TVPQUIMXJIUDTD-OAHLLOKOSA-N 270.376 3.758 30 20 CHED C=C1CCC(C(=O)NC[C@@H](OCC)c2ccccc2)CC1 890268828 QIIQMQBYPGCNQV-QGZVFWFLSA-N 287.403 3.627 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](c1ccncc1)C1CC1 894028317 NGWZIXSOEIARFA-XJKSGUPXSA-N 287.407 3.577 30 20 CHED CC(C)CCCNc1ccc(F)cc1OCC#N 783662053 WGXFKCMGWJXROI-UHFFFAOYSA-N 250.317 3.576 30 20 CHED CCOc1cccc(/C=N/C[C@@H](SC)C(C)(C)C)c1O 783682554 XKXKJEHCSWFQPC-NGWPFTMJSA-N 295.448 3.988 30 20 CHED C#CCC1(C(=O)OCCCOC(C)(C)C)CCCCC1 788215812 FBIUMBBIIPMPQJ-UHFFFAOYSA-N 280.408 3.709 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)Nc1ncc(C#N)s1 896482350 YYXMEGUDIQMOOL-NSHDSACASA-N 277.393 3.560 30 20 CHED C[C@@H](C=NN=c1cc[nH]cc1)c1ccc(C(F)(F)F)cc1 789038475 XLFDAFMZFMJAAS-NSHDSACASA-N 293.292 3.724 30 20 CHED CC[C@H](C)[C@H](C(=O)O[C@@H](C#N)CC)c1ccccc1 781126092 LUNDLJFYBTXPBV-CFVMTHIKSA-N 259.349 3.662 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]1c1nc[nH]n1 899102156 SCIMFKMDPSPBQY-AWEZNQCLSA-N 292.427 3.609 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC[C@H]2C2CC2)c(F)c1 1202810841 BWZQCQMWZNDRPX-ZBFHGGJFSA-N 272.367 3.613 30 20 CHED C=C(C)COC(=O)/C=C/c1ccc2cc(OC)ccc2c1 791460245 JDQMWAKUQKDBOW-WEVVVXLNSA-N 282.339 3.981 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1ccc(Cl)s1 790135639 QKNSVEBUHQKRQQ-MRXNPFEDSA-N 275.826 3.590 30 20 CHED CC(C)CN(CCC#N)Cc1csc(C(C)(C)C)n1 739914424 KDYXNNHRKLWTBE-UHFFFAOYSA-N 279.453 3.812 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cc3c(nc2O)CCCC3)no1 897224941 GNXHKGMBTDIUIT-QGZVFWFLSA-N 299.374 3.570 30 20 CHED C=C(Br)CN[C@H](C)CCCC(F)(F)F 166695992 TXKIUMRMJFKJLF-MRVPVSSYSA-N 274.124 3.606 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Br)ccc1C 393817890 HHRVEBGWYCBGGS-GFCCVEGCSA-N 296.208 3.842 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C/C=C/c1ccccc1 790305934 BCMWYOKBBXWQRH-UKNXVJMESA-N 285.278 3.845 30 20 CHED C=C1CCN(Cc2ccc(F)c(Br)c2)CC1 513466817 LDLAPTXFROCPLE-UHFFFAOYSA-N 284.172 3.740 30 20 CHED CC(C)C[C@@H]1CCCC(=NNc2ccc(C(=O)O)cn2)C1 794526030 LNNLPWZTXDCZQU-LBPRGKRZSA-N 289.379 3.784 30 20 CHED C=CCCCCN1CCO[C@@H](c2ccc(F)c(F)c2)C1 575131932 KBRJFEJOVODINJ-MRXNPFEDSA-N 281.346 3.694 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccnc(F)c1 794718895 GMUIKHFULLVCEJ-IWQZZHSRSA-N 297.116 3.819 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 795026243 AYNWJFLOFXYDFK-UKRRQHHQSA-N 292.423 3.502 30 20 CHED CCC(=O)c1ccc(OC(=O)c2ccc(C)c(C#N)c2)cc1 799292888 DJOGQBVELAUMMP-UHFFFAOYSA-N 293.322 3.679 30 20 CHED O=[N+]([O-])c1ccccc1NN=CCc1cccc(Cl)c1 794855562 VABRCMTURDPJPG-UHFFFAOYSA-N 289.722 3.889 30 20 CHED Fc1cncnc1NN=C1CCC2(CCCCC2)CC1 793218513 WSPADEUFVQVKKV-UHFFFAOYSA-N 276.359 3.908 30 20 CHED C#CCN(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 790966812 PABNDALERUVTLZ-UHFFFAOYSA-N 295.382 3.949 30 20 CHED N#Cc1csc(CNc2cnn(C3CCCC3)c2)c1 722371252 SDIFYRWYBITWSI-UHFFFAOYSA-N 272.377 3.543 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(OC(C)C)c2)no1 791432597 NEUBRFMKKOXFPN-FPLPWBNLSA-N 271.316 3.666 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccc2c(c1)CCCC2 792872962 RHIIWTNGABRGAW-NTMALXAHSA-N 280.371 3.503 30 20 CHED C#C[C@H](NC(=O)N(CC)Cc1ccccc1Cl)C(C)C 798557391 TWYHFJNCJBLVEG-HNNXBMFYSA-N 292.810 3.529 30 20 CHED C#CCNC(=O)Nc1cc(Cl)ccc1-c1ccc(C)o1 797671555 YBLKCBSLMIOPAJ-UHFFFAOYSA-N 288.734 3.663 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@H](C(C)C)CC2)n1 79343643 LGSGYVMOMRTODR-AWEZNQCLSA-N 257.381 3.524 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](OC)C[C@H]1C 799423991 DTSMZYHHTONHPO-HUUCEWRRSA-N 269.429 3.763 30 20 CHED CC1(C)CCC(NCc2ccc(C#N)cc2F)CC1 79678719 KVRGJJZGJBIHID-UHFFFAOYSA-N 260.356 3.756 30 20 CHED CCCCCCCCN1CC[C@H](Cc2cnn(C)c2)C1 746677774 GXIKUZVDURPLHT-MRXNPFEDSA-N 277.456 3.645 30 20 CHED C[C@H](CC(C)(C)C#N)NCC(C)(C)c1cccs1 695793070 XTUQCPLIXJYAIG-GFCCVEGCSA-N 264.438 3.944 30 20 CHED N#Cc1cnc(NCCC2Cc3ccccc3C2)c(Cl)c1 1307092911 BZPBAJZCXYUSFI-UHFFFAOYSA-N 297.789 3.824 30 20 CHED CCc1oc2ccccc2c1C(=O)OCCCCC#N 1319599007 GMNRMYDYXFDBRL-UHFFFAOYSA-N 271.316 3.846 30 20 CHED CCC(CC)CN(CCC#N)C[C@H]1CCCCN1C(C)C 1167558569 PBEOJVXRRUVAIU-GOSISDBHSA-N 293.499 3.901 30 20 CHED COc1cccc2cc(C/N=C\c3ccccc3O)oc12 1318270895 VKCCZZBCLCKYAZ-ZDLGFXPLSA-N 281.311 3.766 30 20 CHED N#Cc1ccc(-c2nnc(C(F)=C3CCCC3)o2)cc1 1326916550 AYYGANVWQKLOHJ-UHFFFAOYSA-N 269.279 3.863 30 20 CHED N#Cc1ccnc(/C=C/c2ccccc2Br)c1 1321036445 DZLAGNXMZIGVOM-AATRIKPKSA-N 285.144 3.886 30 20 CHED C=C[C@@H](COC)NC/C(C)=C\c1ccccc1C(F)(F)F 1325185194 PQJXLEMCZHFNMV-UQTJOTSZSA-N 299.336 3.899 30 20 CHED CCCc1ccc(COC(=O)c2cccc(C#N)c2)cc1 1337836171 WIOZOXPSUBHODN-UHFFFAOYSA-N 279.339 3.868 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(O)cc2OC)c1 1337919903 BUMBOVOICRNRKI-NTMALXAHSA-N 298.338 3.696 30 20 CHED COc1ccc(C)cc1C=NNc1ccc(C(C)(C)C)nn1 1251931123 IGOMQPREHZZBKR-UHFFFAOYSA-N 298.390 3.537 30 20 CHED COC[C@@H](Nc1ccc(F)cc1C#N)c1ccc(F)cc1 1336405291 DVRHCADWGPZAFQ-MRXNPFEDSA-N 288.297 3.636 30 20 CHED C/C(=C/C(C)(C)C)C(=O)O[C@@H](CC#N)c1ccco1 1347949087 QEFTVWWTVCBZNI-OEYXZAGESA-N 261.321 3.770 30 20 CHED CC(C)c1ccoc1C(=O)O[C@@H](CC#N)c1ccco1 1345546295 CVWJGQPXMRSDIP-ZDUSSCGKSA-N 273.288 3.808 30 20 CHED C[C@H]1COc2ccccc2[C@H]1OC(=O)CCCCCC#N 1261137474 LQPSQYRBMIXFLT-GUYCJALGSA-N 287.359 3.773 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(C#N)c1 1358244274 GEELAUICDLLLCB-PBHICJAKSA-N 284.403 3.955 30 20 CHED C[C@@H]1CC[C@H](CC(=O)O[C@H](CC#N)c2ccco2)C1 1518017603 KJFZZSNZSAVINQ-MBNYWOFBSA-N 261.321 3.604 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC(C)(C)c1ccccc1C 1527008930 SDKQOEALFMJPFK-UHFFFAOYSA-N 292.382 3.840 30 20 CHED Cc1cc(NC[C@@H](C)c2ccc(F)cc2)ncc1C#N 1458139480 AGJSLSKHLMBTJX-GFCCVEGCSA-N 269.323 3.616 30 20 CHED N#CC[C@@H](CC(=O)Nc1cncc(Cl)c1)c1ccccc1 1534999564 JYUUMABZLFSXCU-ZDUSSCGKSA-N 299.761 3.761 30 20 CHED C[C@@H](CCC#N)CN1CCO[C@@H](c2cccc(F)c2)[C@@H]1C 1474595231 ILTWBAOTHBHMQS-GRDNDAEWSA-N 290.382 3.527 30 20 CHED C=C(CC)C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 1548677590 GSMIRCWSTXJIMT-HIFRSBDPSA-N 255.361 3.634 30 20 CHED C[C@H](c1cccc(O)c1)N(C)c1snc(Cl)c1C#N 1559125876 PFPQWTCRMICGLX-MRVPVSSYSA-N 293.779 3.571 30 20 CHED Cc1ccc(Cl)cc1C(=O)N(C)c1ccccc1C#N 228450337 UDGBPMSSYIKZRL-UHFFFAOYSA-N 284.746 3.797 30 20 CHED Cc1ccc(NCc2ccc(C#N)cc2F)cc1F 20053818 VOKGFQMYESOZCH-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=C(Cl)Cn1c(CC2CC2)nnc1N(CCC)CCC 1722585503 YPZDLDVLRSGKTM-UHFFFAOYSA-N 296.846 3.610 30 20 CHED Cc1cc(N[C@H](C)[C@H](C)c2ccccc2)ncc1C#N 1642355957 IEOKCMLLGIKQKL-UONOGXRCSA-N 265.360 3.866 30 20 CHED Cc1cccc(-c2cccc(C(=O)N(C)[C@H](C)C#N)c2)c1 1583900337 NRMANUYKZSSUBU-CQSZACIVSA-N 278.355 3.646 30 20 CHED N#Cc1c(F)cccc1Sc1nc(Cl)cs1 1651987195 WLDDQZUBRINISG-UHFFFAOYSA-N 270.741 3.958 30 20 CHED CCOc1ccc(NCc2ccc(C#N)cc2)cc1F 121978701 VIAKVIRWWHLGCV-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C=CCC1(NC[C@@H]2CCCC[C@H]2C(=O)O)CCCCC1 1588769149 NCPABYVYIFKGLY-LSDHHAIUSA-N 279.424 3.746 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC1C(C)(C)C1(C)C 1667620243 UKHBEZZHQVPNMU-UHFFFAOYSA-N 285.391 3.670 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)Nc1ccc(C#N)c(F)c1 1672080143 KDUHDFJZXQAIMI-AWEZNQCLSA-N 289.354 3.788 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(C)c(C(=O)O)c2)c1 1776029660 LBCPRFMDZSFRGC-UHFFFAOYSA-N 282.343 3.756 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc3[nH]c(C(=O)O)cc3o2)cc1 1776114568 SLJWLSZSUMBNKN-VOTSOKGWSA-N 295.294 3.664 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)s2)c(C)c1 1776132701 CALBTOSTRUOGHU-QPJJXVBHSA-N 286.352 3.959 30 20 CHED Cc1c(NN=C2C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cccc1C(=O)O 1776087192 NCKFEHSPHCHLKY-GKSGUAPZSA-N 284.359 3.527 30 20 CHED C=C(Cl)C[C@@H](NCc1ccc2ccccc2c1)C(=O)O 1776143303 QEJUDPVTPFWTHP-OAHLLOKOSA-N 289.762 3.525 30 20 CHED Cc1cccc(NN=Cc2ccc(C(=O)O)cc2)c1Cl 1776106623 NOGIDPULMDHMMD-UHFFFAOYSA-N 288.734 3.793 30 20 CHED Cc1c(NN=C[C@]2(C)[C@@H](C)[C@]2(F)Cl)cccc1C(=O)O 1776089009 WSCLDHMGGUZGOR-OWYVNGRQSA-N 298.745 3.652 30 20 CHED CCCCCCCCNc1cc(C(=O)O)ccn1 161038874 DBMMMCHMGARZAU-UHFFFAOYSA-N 250.342 3.552 30 20 CHED CCCCn1ncc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1C 161118723 UKBWXYQSULPVNY-UHFFFAOYSA-N 299.334 3.515 30 20 CHED C=CCCN[C@H](C)c1ccc(OC)c(Br)c1 162159738 ZFMGVZIRVHKYIF-SNVBAGLBSA-N 284.197 3.684 30 20 CHED N#Cc1ccc(CN2CCOc3ccccc3C2)c(Cl)c1 162905074 MKPGFJRLFOMRDS-UHFFFAOYSA-N 298.773 3.606 30 20 CHED C=CCC[C@H](CCC)NC[C@@](C)(O)c1ccccc1 169171961 ABDRNMNUYGRDNH-DLBZAZTESA-N 261.409 3.619 30 20 CHED C[C@H]1OCC[C@H]1SCc1ccccc1C(C)(C)C#N 163877317 COSCLVDJOLNCJG-IUODEOHRSA-N 275.417 3.898 30 20 CHED Cc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1F 153521108 YRKDJUCQKZPPPD-KRWDZBQOSA-N 296.345 3.909 30 20 CHED C=CCCCNc1ccccc1C(=O)N1CCCCC1 157144090 OJNYJNLYJPVIBW-UHFFFAOYSA-N 272.392 3.691 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(CCC#N)Cc2cccnc2)C1 154016533 ZAQYWGGTMAGLFC-HZPDHXFCSA-N 299.418 3.540 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(N(C)C)cc1F 154030167 LNUVHNUPGDJMNY-UHFFFAOYSA-N 292.398 3.710 30 20 CHED C=CCN(C)C(=O)Nc1cccc(N2CCC(C)CC2)c1 157462735 NQDGNXIGKRSXJV-UHFFFAOYSA-N 287.407 3.573 30 20 CHED Cc1ccc2nc(-c3ccc(N(C)CCC#N)cc3)[nH]c2c1 154652100 HKFLCTDXVOJIOM-UHFFFAOYSA-N 290.370 3.888 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]1C[C@H](C)O 124775619 IASHSQOUZQXHTQ-JKSUJKDBSA-N 283.456 3.889 30 20 CHED C#Cc1ccc(CN[C@@H]2CSCc3ccccc32)cc1 809610465 TWLRPZQJEBDNQV-GOSISDBHSA-N 279.408 3.746 30 20 CHED C#CCN(C(=O)c1ccc(Cl)cc1F)C1CCCCC1 65777048 CTXNSABXUSJHRM-UHFFFAOYSA-N 293.769 3.887 30 20 CHED Cc1cc(=NCC2(C)CCC(C)(C)CC2)c(C#N)c[nH]1 1163512011 MREAWQZVECIBBZ-UHFFFAOYSA-N 271.408 3.702 30 20 CHED C=CCN(CC=C)Cc1c(C(=O)O)sc2ccccc12 51037485 NCDSPQBIHALULH-UHFFFAOYSA-N 287.384 3.774 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc2cc[nH]c12 293805787 PZDGUDMPZOIUIQ-UHFFFAOYSA-N 256.349 3.500 30 20 CHED C=C(C)CCN1CCCN(Cc2ccccc2)C[C@@H]1C 509687107 TWZFZMVSHNDHCG-KRWDZBQOSA-N 272.436 3.549 30 20 CHED C[C@@H]1c2ccccc2CN1C(=O)C1(C#N)CCCCC1 336390941 RKAIEHWOCCKMMW-CYBMUJFWSA-N 268.360 3.564 30 20 CHED CN(Cc1ccc(CC#N)cc1)Cc1cccc(F)c1 342766443 UWMUUJKIJKZAJD-UHFFFAOYSA-N 268.335 3.524 30 20 CHED CCc1nc(CN(C)CCCCC(C)(C)C#N)cs1 387837697 GZYIBEDSZOERMZ-UHFFFAOYSA-N 279.453 3.857 30 20 CHED C=CCCOC(=O)CCSc1ccc(C)cc1 729073319 QAYOUKXMAWBODT-UHFFFAOYSA-N 250.363 3.597 30 20 CHED CSc1ccccc1[C@@H](C)NC(=O)C1(C#N)CC(C)C1 558635150 RVXBCKLIDVXLNZ-BWBHSNQOSA-N 288.416 3.526 30 20 CHED N#Cc1cc(NC(=O)CCCc2ccccn2)ccc1Cl 103940667 YPNBVTMVRJANGE-UHFFFAOYSA-N 299.761 3.568 30 20 CHED C=CCN(C(=O)c1ccc(C)s1)c1ccccc1 58642032 FQYRCTLNMWBXJD-UHFFFAOYSA-N 257.358 3.889 30 20 CHED COCCOc1ccc(NCc2ccc(C#N)cc2)c(C)c1 172192733 UWMQWKOFISXNRA-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=CCCCC(=O)N(Cc1ccc(OC)cc1)C1CC1 175128338 DWEYXNSRCSQSQZ-UHFFFAOYSA-N 273.376 3.543 30 20 CHED N#Cc1cccc(OCCN2CCC[C@@H]2c2cccs2)c1 51231156 WPKWEGVFASBGPV-MRXNPFEDSA-N 298.411 3.836 30 20 CHED CCCCC[C@H](NC(=O)N1CCC(C#N)CC1)C(C)(C)C 115701372 MWRDEZCOSRNOFV-HNNXBMFYSA-N 293.455 3.927 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)c1cccn1C)c1cccs1 1348801205 YVNHNODFLQCQDV-FZMZJTMJSA-N 288.372 3.534 30 20 CHED Cc1ccc([C@H]2CSCCN2CCCCC#N)cc1 116324334 YTXTZOCDSZLLTP-MRXNPFEDSA-N 274.433 3.779 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(OC)cs2)c1 176643814 FDOIWPKBZURLCQ-UHFFFAOYSA-N 289.356 3.574 30 20 CHED N#Cc1cccnc1NCCCc1cccc(Cl)c1 301116495 URIFDTFZIKTKBI-UHFFFAOYSA-N 271.751 3.651 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc(C#N)c1C 408094241 RQFJEHQWULUADF-SMDDNHRTSA-N 271.364 3.662 30 20 CHED N#Cc1ccc(NCCC[C@H]2CCCCO2)cc1Cl 302235897 VGOJZJQOHXMLPC-CQSZACIVSA-N 278.783 3.973 30 20 CHED C=CCCCC(=O)NCc1ccc2ccccc2c1 175239360 KWFRVPLTPYHSLU-UHFFFAOYSA-N 253.345 3.812 30 20 CHED N#CC1(NC(=O)c2ccc(Oc3ccccc3)cc2)CCC1 63477108 FGSLUELJOFSWGW-UHFFFAOYSA-N 292.338 3.655 30 20 CHED C=C(Br)CNc1c(Cl)cccc1C#N 306364643 CYIBJUWQVSEYHH-UHFFFAOYSA-N 271.545 3.532 30 20 CHED N#Cc1ccc(COC(=O)C[C@H]2CCc3ccccc32)cc1 115737077 DXCLBCVRBARMTC-QGZVFWFLSA-N 291.350 3.722 30 20 CHED CCCCCCCCCCC(=O)Nc1cn[nH]c1 917097392 QQDSSCBZGGGQSW-UHFFFAOYSA-N 251.374 3.879 30 20 CHED C[C@H](CNc1ccc(C#N)cc1)Oc1ccc(F)cc1 301449429 KYWIDIKXODXFAY-GFCCVEGCSA-N 270.307 3.577 30 20 CHED N#Cc1cccc(CSCc2noc3c2CCCC3)c1 171756650 JYJSPBYUJPKVKL-UHFFFAOYSA-N 284.384 3.858 30 20 CHED CC(C)(C)[C@H]1CCN(Cc2ccc(F)cc2C#N)C1 541391445 WZUWTLPHPCRBEL-AWEZNQCLSA-N 260.356 3.565 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3ccc(Cl)nc3)ccc21 179410714 NXTKGWKJQMJBQK-ZZXKWVIFSA-N 298.773 3.623 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1c1ncon1 124089931 CLBBXIRZDJXGFH-AWEZNQCLSA-N 293.411 3.874 30 20 CHED N#Cc1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 36774844 ZEPDVBFOSSNGDC-UHFFFAOYSA-N 270.313 3.759 30 20 CHED C=C(Cl)COC(=O)/C=C\c1nc2ccccc2s1 212948144 BOOSOFSJWHDOSD-SREVYHEPSA-N 279.748 3.605 30 20 CHED N#Cc1csc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 408414177 JOIPEBCCHGSHOC-MGPQQGTHSA-N 288.416 3.708 30 20 CHED CC(C)(C)C[C@H](NC(=O)c1cccc(C#N)c1)C(F)(F)F 183019039 UFCMJHOEGKGRKL-LBPRGKRZSA-N 298.308 3.655 30 20 CHED C=C(C)[C@@H](NCCCCCOC)c1ccc(F)c(F)c1 187782958 KAUBZCAZYSNYSI-MRXNPFEDSA-N 283.362 3.988 30 20 CHED Cc1ccc(C)c(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 182060993 YHMQRYYTGKACRJ-AWEZNQCLSA-N 294.354 3.847 30 20 CHED C#CCCCCC(=O)N(c1ccc(C)cc1)C(C)C 182796977 XSHSKBCUBXHKSF-UHFFFAOYSA-N 257.377 3.930 30 20 CHED C=CC[C@@H](C(=O)N(C)c1nc(C)cs1)c1ccccc1 186808763 GQVKPKLPEPMWPZ-CQSZACIVSA-N 286.400 3.774 30 20 CHED Cc1ccc(C[S@@](=O)Cc2cccc(C#N)c2)cc1C 129781686 DELPQZFFBKFBDK-HXUWFJFHSA-N 283.396 3.624 30 20 CHED CC(C)(C)C(=O)CSc1nc2c(cc1C#N)CCCC2 73170446 QOZAQWQQFLTSEX-UHFFFAOYSA-N 288.416 3.539 30 20 CHED N#Cc1cc2c(nc1SCCC1CC1)CCCC2 479203822 JBPUMEMDTURAST-UHFFFAOYSA-N 258.390 3.724 30 20 CHED CC(C)[C@@H](C)N(Cc1ccc(C#N)cc1F)C1CC1 505249946 XPALTPJYNQRHKK-GFCCVEGCSA-N 260.356 3.706 30 20 CHED Cc1cc(Oc2ccc(C#N)c(C)n2)c(C)c(C)c1C#N 314490201 QCINOVXYGALNKM-UHFFFAOYSA-N 277.327 3.851 30 20 CHED CC(C)[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 73849534 IPSNPBBGDIHKDO-KRWDZBQOSA-N 278.355 3.937 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(O)cc(F)c1 186183079 KUZTTZHQVAUNNS-UHFFFAOYSA-N 298.361 3.814 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 180368807 YALMWSVFINWXQM-LLVKDONJSA-N 298.333 3.567 30 20 CHED C=CCCCNc1ccccc1C(=O)NCc1ccco1 77241471 RQPOXZLXBNXTGN-UHFFFAOYSA-N 284.359 3.588 30 20 CHED C=C(Cl)CN(C)CCCc1cc(-c2ccccc2)n[nH]1 124675700 GYQJJWLHKICIDA-UHFFFAOYSA-N 289.810 3.694 30 20 CHED C=C[C@@H]1CCCCN1Cc1coc(-c2ccccc2)n1 489473089 HXICXUFRKWBOKF-MRXNPFEDSA-N 268.360 3.882 30 20 CHED CC(C)(CNC(=O)NCc1cccc(C#N)c1)C1CCCC1 509760393 IKUMVPBQTHJLOK-UHFFFAOYSA-N 299.418 3.574 30 20 CHED CCN(Cc1cccs1)Cc1cc(F)ccc1C#N 158232219 HBGAFKNPLXFDEY-UHFFFAOYSA-N 274.364 3.781 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccccc2F)ccc1O 211733817 SYTJYWBPYLTAML-CLFYSBASSA-N 286.302 3.826 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(F)c(OC)c1 187052996 ZQRAHJNOGIEYSI-NSHDSACASA-N 280.343 3.701 30 20 CHED CCCCCCCCC(=O)N1CCC(NCC2CC2)CC1 127517190 JQDFPRAKSNBXFO-UHFFFAOYSA-N 294.483 3.728 30 20 CHED C=CCC[C@@H](NCc1cnoc1C)c1ccccc1 129915238 PRWONFAHYQPOEK-MRXNPFEDSA-N 256.349 3.780 30 20 CHED N#Cc1ccc(CCC(=O)OCc2ccccc2Cl)cc1 217044152 WONDPVVMZPIETJ-UHFFFAOYSA-N 299.757 3.888 30 20 CHED Cc1c(C#N)cccc1C(=O)NCCCC1CCCC1 509147435 TUFGHJWSXZMZQH-UHFFFAOYSA-N 270.376 3.567 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N(CC)c1ccc(C#N)cc1 180795505 KZCGACSISGPACT-CHWSQXEVSA-N 258.365 3.593 30 20 CHED C=CC[C@H](C(=O)N[C@H](CCCC)COC)c1ccccc1 188128600 HOLVFSMHSARMEJ-SJORKVTESA-N 289.419 3.668 30 20 CHED C[C@@H]1O[C@H](C)C[C@H]1CNc1ccc(C#N)cc1C(F)(F)F 413538419 SSIDMUDAYGBJMC-SCVCMEIPSA-N 298.308 3.802 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[C@H](SCC)C1 188596456 BBAUFPUITBYGGF-KCQAQPDRSA-N 269.454 3.721 30 20 CHED CCCOc1ccccc1[C@H](CC(C)C)NCC#N 181718728 RVCDIQWNSXUYJI-HNNXBMFYSA-N 260.381 3.676 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCc1ccco1 70058398 GYVDIJBOWYRELX-UHFFFAOYSA-N 290.407 3.600 30 20 CHED C=C(C)CN(C)C(=O)Nc1cnn(-c2ccc(C)cc2C)c1 189625423 ZDRJCYFPNGRRRG-UHFFFAOYSA-N 298.390 3.529 30 20 CHED N#Cc1c(Br)cccc1N[C@@H]1CCC[C@@H]1F 378842668 PXLIFJYQOZDQHF-CMPLNLGQSA-N 283.144 3.623 30 20 CHED CCCN(CC#N)C(=O)c1cccc(Cc2ccccc2)c1 413211304 XIEIZALRJGYNEA-UHFFFAOYSA-N 292.382 3.653 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(C)(C)c1ccccc1 182645873 BQRVSYDCBLJSSC-CQSZACIVSA-N 259.393 3.825 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/CCc2cc3ccccc3[nH]2)CCC1=O 328927861 GCZHCESJYXLNTA-TZMCWYRMSA-N 298.386 3.672 30 20 CHED O/C(=N/[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCCc2n[nH]cc21 329906933 SOLBEBXRQWRQLP-HEHGZKQESA-N 287.407 3.755 30 20 CHED C[C@@H](CCc1ccc(O)cc1)N[C@H](C)c1ccc(C#N)cc1 192755427 ZAOVDYXCLYTFID-LSDHHAIUSA-N 294.398 3.936 30 20 CHED C=CCCC(=O)CSc1nc2ccccc2n1CC 134638616 LWCKKJKRNRMZKP-UHFFFAOYSA-N 274.389 3.684 30 20 CHED C=CCC[C@H](CC)Nc1cccc([C@H]2CCC(=O)N2)c1 414313157 KDOUILVVDGKASE-GOEBONIOSA-N 272.392 3.794 30 20 CHED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1cccnc1 132411373 ANJNYOCQLFBMDH-VMPITWQZSA-N 289.281 3.622 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C(/O)c1coc(C2CCCC2)n1 328659493 SVRVOFFHTOFEOD-PWSUYJOCSA-N 262.353 3.825 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2cnn(C(C)C)c2c1 194783483 IIANDZUNBMMWOF-UHFFFAOYSA-N 298.390 3.823 30 20 CHED C=CCSCCN[C@H](c1ccccc1)C(F)(F)F 229697414 FUIIHGLPBIGENO-GFCCVEGCSA-N 275.339 3.799 30 20 CHED N#CCc1cccc(C(=O)NCCCC2CCCCC2)c1 49732780 WTDAVBFFRJNOQZ-UHFFFAOYSA-N 284.403 3.843 30 20 CHED C=CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 510860830 UNNILUAHCWTUAD-CQSZACIVSA-N 278.783 3.666 30 20 CHED N#Cc1ccc(CC(=O)Oc2cccc3ccccc23)cc1 194705710 DQRDEOYTAVPMFS-UHFFFAOYSA-N 287.318 3.860 30 20 CHED N#Cc1cc(F)ccc1N1CCC(c2ccc(O)cc2)CC1 80946367 QGTSJGQSHPOEFC-UHFFFAOYSA-N 296.345 3.787 30 20 CHED CC[C@@H](CSC)Nc1ccc(C#N)c(Br)c1 228196017 DIODSOGDDSHKTB-JTQLQIEISA-N 299.237 3.874 30 20 CHED N#CC1(C(O)=Nc2cccc(-c3cnn[nH]3)c2)CCCCC1 329641446 ZUPZPNHEJOGBJV-UHFFFAOYSA-N 295.346 3.534 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Br)ccc1C 87743168 HGQLVLFUDFKHHC-UHFFFAOYSA-N 296.208 3.796 30 20 CHED CN(Cc1cccc(F)c1C#N)Cc1cccc2[nH]ccc12 428957999 BEVHRXIOQUHUPG-UHFFFAOYSA-N 293.345 3.811 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2ccc3ccoc3c2)CCO1 329849076 RTXIWZGCOJKDJI-ZYHUDNBSSA-N 259.305 3.836 30 20 CHED CO[C@@H]1[C@H](C)[C@H](/N=C(/O)c2cncc3ccccc23)C1(C)C 329212181 HPZVYLKJRUIHKI-XFBWCDHKSA-N 298.386 3.599 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(-n3ccnc3)c(F)c2)C1 193186221 FQNUVPMTSAHRGU-QWHCGFSZSA-N 284.338 3.506 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 192586861 CNKPFQPONVLENS-UONOGXRCSA-N 283.371 3.688 30 20 CHED C=CCC[C@H](C(=O)N1CC=C(C)CC1)c1ccccc1 427638116 JPYCLKSPHNNSGE-KRWDZBQOSA-N 269.388 3.915 30 20 CHED CC#CCCCC(=O)N(CCC)c1cccc([N+](=O)[O-])c1 194126748 YNFXQCURBJSCLQ-UHFFFAOYSA-N 288.347 3.531 30 20 CHED COc1ccccc1[C@@H](C)/N=C(/O)NC1(C)CCCCC1 330799001 IEVJWDYIPVPEEB-CYBMUJFWSA-N 290.407 3.983 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)Nc1cccc(CC#N)c1 334982878 UTDHMXQPCHJZMM-INIZCTEOSA-N 285.391 3.795 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc(CC#N)c1 334739798 GZWKEHYVXPSUPI-CJNGLKHVSA-N 285.391 3.795 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N(CC)C[C@H](C)C#N 424610674 WQRSTUVWGPAKSX-ZBFHGGJFSA-N 286.419 3.572 30 20 CHED Cc1cc(N2CCCC2)ccc1N[C@@H]1CC[C@@H](C#N)C1 334770015 BBKOCXFUSWPKQU-HUUCEWRRSA-N 269.392 3.699 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCCc2cc(N)ccc21 423342769 DEOGDBQMFYAWAC-OGHNNQOOSA-N 258.409 3.837 30 20 CHED C#CCOc1ccc(CN[C@H]2c3ccccc3C[C@H]2C)cc1 237379198 OWTWDWFYGDJQJR-FOIQADDNSA-N 291.394 3.722 30 20 CHED C=CCN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510424584 LKZURVHXCDROPD-JTQLQIEISA-N 281.224 3.667 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 424677058 IADGNQHSDBHITE-KBPBESRZSA-N 281.440 3.546 30 20 CHED Cc1cc(F)ccc1CCNc1ccc(C#N)cc1 94956784 ZCNOUZUYFYSPQC-UHFFFAOYSA-N 254.308 3.660 30 20 CHED CCN(Cc1cnc(-c2cccs2)s1)C[C@@H](C)C#N 91983562 AOWDSPZLQCVQNW-NSHDSACASA-N 291.445 3.853 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C#N)c1C 431753428 VOUFNYACKCGQIX-BBRMVZONSA-N 285.391 3.957 30 20 CHED N#Cc1cccc(N[C@H]2CCc3c(Cl)cccc32)n1 339220485 OKVPTLMBBFIQJE-AWEZNQCLSA-N 269.735 3.706 30 20 CHED N#CCCCCN(C1CC1)[C@H]1CCc2ccccc21 338731338 ZHUXLMDRBIJJQP-KRWDZBQOSA-N 254.377 3.832 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@@H](C)Cc1cccs1 432084373 FYROYVOCCUBRGG-ZDUSSCGKSA-N 294.464 3.828 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc2ccn(C)c2c1 432961533 OKMCWXDDGZSQGV-UHFFFAOYSA-N 285.391 3.902 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cn1 435606256 KUQHBKDSPJNCFC-SXUIPJSXSA-N 285.297 3.590 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCC(F)(F)C2)n1 340776778 OZZJJZKMDZAVCP-VIFPVBQESA-N 256.296 3.826 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc2ccccn2c1 522256856 XUSRPTRNHFGSQN-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H](C#N)CCc1ccccc1 433236577 ZCOQVKOVIFUPJG-NJAFHUGGSA-N 298.430 3.796 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(OCC)cc2)CC1 437211014 TYQBDOBDWIKPPF-DLBZAZTESA-N 299.414 3.804 30 20 CHED CCOc1cccc([C@@H]2C[C@@H]2Nc2cc(C#N)cc(C)n2)c1 342915665 FSVRJEWVUKRVLI-IRXDYDNUSA-N 293.370 3.628 30 20 CHED N#Cc1cccc(CSCc2cccnc2)c1F 341991248 CDLBUQBEVLDAIV-UHFFFAOYSA-N 258.321 3.526 30 20 CHED CC(C)(CCC#N)CNCCc1ccc(F)c(F)c1F 344344445 DTIRZTIEQFSOPO-UHFFFAOYSA-N 284.325 3.566 30 20 CHED N#Cc1ccncc1NCCn1ccc2cc(Cl)ccc21 343233249 IATAXUVVYCWOAD-UHFFFAOYSA-N 296.761 3.673 30 20 CHED CCC(C#N)(CC)C(=O)N1CCCc2ccc(C)cc21 602266398 WRTWEJKMFGGOJG-UHFFFAOYSA-N 270.376 3.604 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)c1cc2ccccc2o1 342017667 LXNCUAYZIYYFDF-LBPRGKRZSA-N 257.333 3.571 30 20 CHED CC(C)[C@@H](C)SCCCC1(C#N)CCOCC1 347781941 VOERDGDJMHJKKL-CYBMUJFWSA-N 255.427 3.865 30 20 CHED C=CCCc1nc(COc2cccc(C(F)(F)F)c2)no1 528232499 JMDPNEDEMDUXRP-UHFFFAOYSA-N 298.264 3.786 30 20 CHED N#CCCCNC(=O)Nc1ncc(C2CCCCC2)s1 345108167 AVPVSNKPRXEXOM-UHFFFAOYSA-N 292.408 3.616 30 20 CHED Cc1cc2cc(CNC[C@H](C)CCC#N)ccc2[nH]1 602651944 ASMBQKSSJAXZIW-GFCCVEGCSA-N 255.365 3.506 30 20 CHED CCN(C(=O)[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1 347063840 HTZDXPSPZPQRAR-NWDGAFQWSA-N 270.332 3.502 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)C[C@H]2CCC[C@@H](C)C2)C1 523971804 ZMWNKEBJKRFGNF-AESZEHBQSA-N 276.424 3.791 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccccc2O)cc1 255426985 KHQRQSDKEJJNGW-ZWXCPPHNSA-N 293.322 3.579 30 20 CHED C[C@H](CCC1CC1)NC(=O)N[C@H](CCC#N)c1ccccc1 345956792 WDKNAYSKMZYDME-RHSMWYFYSA-N 299.418 3.909 30 20 CHED COC(=O)c1cc(NCCCC(C)(C)C#N)c(C)cc1C 527064903 LARRIMKYERIKCK-UHFFFAOYSA-N 288.391 3.832 30 20 CHED C[C@H](CCC#N)CN(C)[C@@H]1CCCN(Cc2ccccc2)C1 602445625 RSUYBAUBVKVDFJ-IEBWSBKVSA-N 299.462 3.523 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@@H](CC)c1ccc(C)cc1 609990371 KPJITDSJKMQWSA-GDBMZVCRSA-N 272.392 3.687 30 20 CHED C[C@H](CCC#N)CN[C@@H](Cc1ccccc1)C1CC1 602555407 HLVMOGNURYIGPQ-PBHICJAKSA-N 256.393 3.537 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C)n2C)CCCC1(C)C 347443281 MQFYXVLPLPYXJN-OAHLLOKOSA-N 274.408 3.540 30 20 CHED COc1cccc([C@H]2C[C@H](N(C)C[C@@H](C)CCC#N)C2)c1 602685798 MJEBQXOBKZBTRN-XIRDDKMYSA-N 286.419 3.813 30 20 CHED Cc1ccc(F)c(CCNCC(C)(C)CCC#N)c1 449554068 ORYBAUDWZUNRJU-UHFFFAOYSA-N 262.372 3.596 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1cc(-c2ccccc2)cs1 449519766 NARANPGFPXMTIH-SJORKVTESA-N 285.412 3.848 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(C(C)(C)C)cc1 540396103 ARYAACNCZTWZLK-HUUCEWRRSA-N 275.436 3.819 30 20 CHED C=C(C)CSCC(=O)N(C1CCC(C)CC1)C1CC1 357024247 FDDHUMVYCGGRSW-UHFFFAOYSA-N 281.465 3.865 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 354944585 QSNGRGVIJIAQOV-UHFFFAOYSA-N 299.305 3.501 30 20 CHED COc1cccc(C2=CCN(c3cccc(F)c3C#N)C2)c1 537191441 HZPWIZMEKGNFHZ-UHFFFAOYSA-N 294.329 3.610 30 20 CHED CCCOc1ccc(CNC[C@@H](C)CCC#N)c(C)c1 602643861 MKVBZUZFCSTDKY-AWEZNQCLSA-N 274.408 3.813 30 20 CHED C[C@@H]1CC[C@@H](N(C)C(=O)C[C@H](CC#N)c2ccccc2)C1 357147573 NHGQKCPVZZRIFA-HYVNUMGLSA-N 284.403 3.721 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCC[C@H](SC)C2)CC1 356111420 DFCIGKPEXQWCBD-STQMWFEESA-N 267.438 3.523 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1c[nH]c2nccc-2c1 449873137 YREMQFOFDNNVDC-UHFFFAOYSA-N 297.402 3.723 30 20 CHED C[C@]1(C#N)CCCN(CCc2cccc(C(F)(F)F)c2)C1 600143511 DBALUMRGJRHLBU-OAHLLOKOSA-N 296.336 3.874 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc[nH]c2CC)CCCC1(C)C 355329251 BQVJBRQUNQKDFX-HNNXBMFYSA-N 274.408 3.784 30 20 CHED CC#CCN[C@@H](c1ccc(F)cc1)c1cccs1 539521303 SIJIABHNERLBFB-HNNXBMFYSA-N 259.349 3.590 30 20 CHED CC[C@H]1CCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 353310911 HFHRYOMIWCYMKI-SJORKVTESA-N 284.403 3.865 30 20 CHED CC(C)C1(CN[C@@H]2CCc3ccc(C#N)cc32)CC1 353249102 CLINMDXLSCYRLL-MRXNPFEDSA-N 254.377 3.571 30 20 CHED C=CCCC[C@H](C)NC(=O)CSc1ccc(C)cc1 538336508 XBTSTYGPENBJMV-AWEZNQCLSA-N 277.433 3.948 30 20 CHED C=CCC1(C(=O)NCc2ccc(F)cc2)CCCC1 449057960 FSYBBJBBIRPLHX-UHFFFAOYSA-N 261.340 3.578 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CC2CCCCCC2)C1 535321190 KJKPGSMOXUPCKS-YOEHRIQHSA-N 276.424 3.936 30 20 CHED CC(C)(NCC#Cc1ccc(F)cc1)c1cccc(F)c1 538215273 QFIQZCIQMAQNPB-UHFFFAOYSA-N 285.337 3.841 30 20 CHED CC[C@H](C)[C@@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1 611251414 SOTGBEWAXPLBQT-BHYGNILZSA-N 286.419 3.871 30 20 CHED CCCCOc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442859040 UOURCZZPEQKXHU-DZGCQCFKSA-N 258.365 3.970 30 20 CHED C=CCn1c(C2CC2)nnc1N(CC)CC(CC)CC 350788165 BTTDYENQUGWINK-UHFFFAOYSA-N 276.428 3.604 30 20 CHED Cc1ccc2ccccc2c1CN1CC[C@@](F)(C#N)C1 615637331 AIUDRKGQNABZSP-QGZVFWFLSA-N 268.335 3.586 30 20 CHED C=CCCCCCN(C)C(=O)NCc1sc(C)nc1C 266609298 TVVQMNBBGPLFNX-UHFFFAOYSA-N 295.452 3.648 30 20 CHED C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccsc1 619758181 VXEAHFSBEZKSKG-VIFPVBQESA-N 290.775 3.764 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1ccc2ccccc2c1 614800153 LBINOSGDBGJTGG-AWEZNQCLSA-N 287.366 3.957 30 20 CHED C=CCSCCN[C@H](COC)c1cccc(Cl)c1 353256969 ATSSWQMXNACXFI-CQSZACIVSA-N 285.840 3.536 30 20 CHED CCN(CCC#N)C(=O)c1ccc(SC(C)C)cc1 264000312 AHTQLKAVCQKUDE-UHFFFAOYSA-N 276.405 3.563 30 20 CHED CC[C@H](C)CCC(=O)Nc1nc(C)c(SCC#N)s1 351814833 UUIZWFXAUGPWEN-VIFPVBQESA-N 297.449 3.832 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](CCC)c2ccccn2)C1 617780561 XEMJTKRSFVKPMQ-JKSUJKDBSA-N 286.419 3.780 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1Cc2ccccc2S1 538335821 NDDUSIVKRVBYJA-SWLSCSKDSA-N 275.417 3.564 30 20 CHED Cc1cc(-c2noc(CCc3ccc(C#N)cc3)n2)c(C)o1 445860833 GDQFUSKWPCPSOQ-UHFFFAOYSA-N 293.326 3.603 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 455304740 CUSQZOGINTYIQH-DZGCQCFKSA-N 290.382 3.679 30 20 CHED C=CCC1(C(=O)NCCC[C@@H]2CCCCO2)CCCC1 450618412 UVXJDLGFBRGUKX-HNNXBMFYSA-N 279.424 3.588 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618819178 DZQLLSYQRIMDHW-GDZNZVCISA-N 299.418 3.669 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C)CC=C 362761181 WAACDWLVMWZRGS-LBPRGKRZSA-N 261.390 3.659 30 20 CHED Cc1csc(CNC(=O)C[C@@H](CC#N)c2ccccc2)c1 452728185 AGVMYWICRBPCIN-OAHLLOKOSA-N 298.411 3.760 30 20 CHED CSCCCN[C@H]1CCCCc2cc(C#N)ccc21 360664858 SJEFMZUBRLMZGB-INIZCTEOSA-N 274.433 3.668 30 20 CHED N#CCCCC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 456761961 JRGSCEFUZFXRJQ-IAGOWNOFSA-N 284.403 3.770 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1 532321124 AIAFCUVFSWQCBL-UIORMTCPSA-N 286.375 3.742 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CC(F)(F)F)c1ccccc1 362372461 ZXUHRLXYWQDXRV-CMPLNLGQSA-N 286.297 3.554 30 20 CHED CCCN(CCC)CCCN[C@H](C)c1cccc(C#N)c1 538395478 DKARVJOQVKIGHN-MRXNPFEDSA-N 287.451 3.721 30 20 CHED C=CCC1(NC(=O)c2cc3cccc(C)c3o2)CCOCC1 618247367 ULKBGGAXALIKKX-UHFFFAOYSA-N 299.370 3.596 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2oc(SC)cc2C)C1 617778898 QJALYNIVJGXUKJ-LBPRGKRZSA-N 279.405 3.738 30 20 CHED CCCC[C@@H](Nc1nccc(C#N)n1)c1ccc(OC)cc1 450319849 ZOPUDEREQOJIPP-MRXNPFEDSA-N 296.374 3.700 30 20 CHED CC(C)[C@@H](CO)[C@H](NCCCCC(C)(C)C#N)C(C)C 451593867 IIGFAHJVOOEJNF-HZPDHXFCSA-N 282.472 3.585 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccc(F)cc1F)C1CC1 271458625 FVUMSHKAPWBFNJ-NSHDSACASA-N 279.330 3.635 30 20 CHED C[C@@H](c1c(F)cccc1F)N1CCC[C@](C)(C#N)C1 612163139 ONDICJLKVXOLBS-XHDPSFHLSA-N 264.319 3.651 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(Cl)s1 274291216 CMKQEGMMBJFTJB-YMTOWFKASA-N 298.839 3.950 30 20 CHED CCCCCOc1ccc(CNC[C@H](C)C#N)cc1 54179762 CJAZVZVSVGCPDZ-CQSZACIVSA-N 260.381 3.505 30 20 CHED C=CCC[C@H](C)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1 274814418 YSQHVDYDXVEHEN-GUYCJALGSA-N 287.382 3.593 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)cc1C)C1CC1 271376999 ODJXKBVHDBLWQU-UHFFFAOYSA-N 264.756 3.831 30 20 CHED CCC[C@H](NC(=O)N(C)CC(C)(C)C#N)c1ccccc1 457493935 WMMJJMWMJQTZNK-HNNXBMFYSA-N 287.407 3.719 30 20 CHED CC(C)[C@@H](C)N(C)Cc1ccc(N(C)CCC#N)cc1 271051746 PQRNKWCOEMZBNQ-OAHLLOKOSA-N 273.424 3.513 30 20 CHED C=CC[C@@H]1N(C(=O)c2scnc2C)CCCC1(C)C 278320080 HUWWQLWDDNWPFD-LBPRGKRZSA-N 278.421 3.658 30 20 CHED C=CCOCCCC(=O)Nc1ccc(CSCC)cc1 456496034 OUODPIADTKJEMY-UHFFFAOYSA-N 293.432 3.861 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(C)c(C)cc1Cl 452774377 LGZFAGVEGXZSFV-UHFFFAOYSA-N 265.784 3.899 30 20 CHED CC1(C#N)CN(Cc2ccc(-c3cccc(F)c3F)o2)C1 459599861 YLRWJKOJHVQLFJ-UHFFFAOYSA-N 288.297 3.570 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(-c2ncco2)c1C 455492719 QZYIFKFHXMYJFO-UHFFFAOYSA-N 285.347 3.690 30 20 CHED C=CCC1(NC(=O)CCC(=O)OC(C)(C)C)CCCCC1 456364306 JKVLZYQRKFXXKZ-UHFFFAOYSA-N 295.423 3.504 30 20 CHED N#CCCCC(=O)N1CCC[C@@H]1CC1CCCCC1 360155942 NKZMUHTVHCDWGZ-OAHLLOKOSA-N 262.397 3.642 30 20 CHED CCN(C(=O)[C@@H](C)C1CCC1)[C@H](C)c1ccc(C#N)cc1 457472528 QRAKQNBMWDIMIU-UONOGXRCSA-N 284.403 3.904 30 20 CHED CC(C)N(Cc1ccc(OCC#N)cc1)CC1CCC1 277657310 DMHLLZUBUHIHPZ-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C=CCCCCNC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 454816132 QZXMHPWHTHZKKP-UKRRQHHQSA-N 288.391 3.554 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ncc(C(C)(C)C)o1 620857718 HBBBBULDBKJGHR-UHFFFAOYSA-N 292.423 3.766 30 20 CHED C=CCN(C(=O)NC[C@]1(C)C[C@H]1c1ccccc1)C1CC1 458829915 NLFHJJQOGGUGPZ-WMZOPIPTSA-N 284.403 3.540 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCSc2c(F)cccc21 453341818 IJTGUHILKBLBLA-KFWWJZLASA-N 293.407 3.686 30 20 CHED C=C(C)[C@H](N[C@@H]1C[C@H](C)O[C@H]1C)c1ccc(F)c(F)c1 451154810 MKCKGFYQSGBUHD-QMMBQJITSA-N 281.346 3.738 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccc(OC)cc2)CCC1 276640797 XFZVWXOSUMBRNS-ZDUSSCGKSA-N 273.376 3.619 30 20 CHED C=CCN(CC=C)C(=O)NCc1cccc(Cl)c1Cl 622121588 HEQOUXVKJAWSFW-UHFFFAOYSA-N 299.201 3.877 30 20 CHED Cc1csc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1Cl 276696047 VXDCJKYNKRMKCM-OTYXRUKQSA-N 296.823 3.912 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 276137852 AUVBQKPDOUSDLR-GFCCVEGCSA-N 289.341 3.944 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)c2ccc(F)cc2C[C@H]1C 466237444 ANEOTQAAFOOKQQ-KGLIPLIRSA-N 287.378 3.854 30 20 CHED C=CCCCCNCc1ccc(C)cc1-c1ccnn1C 548982139 ISKYWGKDVFNTDD-UHFFFAOYSA-N 283.419 3.841 30 20 CHED C=C[C@@](C)(CC)C(=O)N(CC)CCc1cccs1 276056990 PNYPNCZEWMEMQB-HNNXBMFYSA-N 265.422 3.741 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@H]1Cc1ccccc1 468815313 DGYJOOBVAUUAHK-SFHVURJKSA-N 280.346 3.514 30 20 CHED C=CCCCCNC(=O)c1c(C)nn(-c2ccccc2)c1C 274735039 UUAZJBNAIAKJOQ-UHFFFAOYSA-N 297.402 3.575 30 20 CHED CC(C)[C@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 540609616 XKOMMDMMYYKZPT-STQMWFEESA-N 262.422 3.924 30 20 CHED Cc1cncc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 375541181 MOTDHHOPVLCWDF-OALUTQOASA-N 291.398 3.662 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(OCc2cccc(C)c2)c1 465117613 UXSQXVRHHZDNOU-HNNXBMFYSA-N 295.382 3.878 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 467413974 PRPZTTCPAITOJB-JSGCOSHPSA-N 292.379 3.999 30 20 CHED CC[C@@H](NCc1ccc(C#N)cn1)c1ccc(C)cc1 554073426 NRVNHQPTPKIVNA-QGZVFWFLSA-N 265.360 3.503 30 20 CHED CC[C@](C)(C#N)c1nc(-c2cnc3ccsc3c2)no1 288886369 AHYRUKGKWANIEE-CQSZACIVSA-N 284.344 3.538 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 551108936 GYNRWHATPPTZBZ-UHFFFAOYSA-N 291.282 3.638 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)c1cc(C)cc(C)c1 460368935 JFWDRGXHDKLFDH-UHFFFAOYSA-N 270.380 3.547 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)c1ccc(F)cc1 467948882 MRLASWKPMSQLKU-WBMJQRKESA-N 263.356 3.648 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(F)c(C)c2)no1 551332430 MGRDKJVEGADERC-UHFFFAOYSA-N 268.238 3.852 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 280848928 LGBHSAWMXBTQBU-DLBZAZTESA-N 284.403 3.733 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1C1CCCCC1 460939148 VFWWJSSULHLMBP-INIZCTEOSA-N 288.439 3.712 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 460602718 QTFHBPQAKPSIKJ-OWCLPIDISA-N 299.414 3.950 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1nc(C(C)(C)C)cs1 281855118 MMWXZSHHZSOCMS-NSHDSACASA-N 295.452 3.595 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)[C@](C)(C#N)CC 285131499 WGVWIINQFQHCOT-SFHVURJKSA-N 298.386 3.893 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](CC)c1ccncc1 281213519 CPRHRFIJSWLTTF-GJZGRUSLSA-N 275.396 3.529 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@@H](C)c1cnccn1 297841703 KOUNTIOBBRUVEA-NSHDSACASA-N 293.823 3.941 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2cccc(Cl)c12)C1CC1 293551283 TVAATWUROSYRBP-UHFFFAOYSA-N 288.778 3.541 30 20 CHED CC(C)CCc1ccc(NCCO[C@H](C)C#N)cc1 802742427 MJGVQRLOOBXQQM-CQSZACIVSA-N 260.381 3.616 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(N2CCCCC2)c1 806227444 NCZPOGZYHKFDIO-OAHLLOKOSA-N 299.418 3.600 30 20 CHED CCCCCNC(=S)NN=C1CCC[C@H]1CCCF 800808278 IGOGZQIHFHXKAE-LBPRGKRZSA-N 287.448 3.547 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OCC2CC2)cc1 473683653 QTMXLZLEPZNHJZ-UHFFFAOYSA-N 288.391 3.953 30 20 CHED CS[C@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297878715 UWQDBNSACYYVFF-MRVPVSSYSA-N 282.434 3.607 30 20 CHED C=CCCCn1cnc(SCc2ccc(C)cc2)n1 478930834 VLSJPSQLDSNZMY-UHFFFAOYSA-N 273.405 3.845 30 20 CHED C=CCN(CCOC)c1nc(-c2ccc(F)cc2)cs1 477706780 ZOVNKCOSXYYZPZ-UHFFFAOYSA-N 292.379 3.588 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OC/C(Cl)=C\Cl)c1 803833963 MBYJAVCJLXHBAX-XBXARRHUSA-N 290.533 3.687 30 20 CHED C=CCCN(CCOC1CCC1)OCc1ccccc1 805750979 BGTGHUSNXGDQBB-UHFFFAOYSA-N 275.392 3.565 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)Cc1cccc(Cl)c1)C(C)(C)C 807884789 XKHWRUKLOGJNTG-WFASDCNBSA-N 291.822 3.683 30 20 CHED C=C(C)[C@H](N[C@H](C)[C@H]1CCCOC1)c1ccc(F)c(F)c1 474927661 KUBKTGIZFUWHLI-IFIJOSMWSA-N 295.373 3.987 30 20 CHED N#CCc1ccc(COc2ccc3c(c2)CCCO3)cc1 399017029 DQQPQNNTPHLKTE-UHFFFAOYSA-N 279.339 3.657 30 20 CHED C=CCC1(C(=O)Nc2cncc(Cl)c2C)CCC1 295248645 BZUZKGNZWTYUHD-UHFFFAOYSA-N 264.756 3.728 30 20 CHED N#C[C@]1(C(=O)Oc2c(F)cccc2Cl)CC12CCCC2 297676961 GKUILLPQDGJUOV-HNNXBMFYSA-N 293.725 3.859 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)CC1 566299091 PPWODPAOMUJXDH-XYPYZODXSA-N 288.416 3.873 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2Cc3ccccc3O2)CCCC1(C)C 470267378 PUPORJDOQQOGNT-SJORKVTESA-N 299.414 3.583 30 20 CHED CC#CC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 801155506 MBSXDWVPIJUNJV-UHFFFAOYSA-N 299.757 3.881 30 20 CHED CC1(C)CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 476520801 VNKWSLPKTAVQFU-OAHLLOKOSA-N 284.403 3.796 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)C(C)(C)C 808313188 OPXVNHSATXTLKS-DZGCQCFKSA-N 278.440 3.645 30 20 CHED C#C[C@H](N[C@@H](C)COC(C)C)c1ccc(Cl)cc1F 809698797 GETWSLIFUPEZDZ-NHYWBVRUSA-N 283.774 3.557 30 20 CHED Oc1cccc(C=NNCCCc2ccccc2)c1Cl 814837990 UIKDMEGLMZWMHQ-UHFFFAOYSA-N 288.778 3.602 30 20 CHED Cc1sc(NC(=O)C2(F)CCCCC2)c(C#N)c1C 812826603 MDULRHUCABDFBR-UHFFFAOYSA-N 280.368 3.848 30 20 CHED C=CCOCCOc1ccc(SC(F)(F)F)cc1 814765190 VKHRJGFFNLDJKI-UHFFFAOYSA-N 278.295 3.880 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cc(Cl)ccc1F 810551642 BCTAXKBYZLTJEC-UHFFFAOYSA-N 287.721 3.642 30 20 CHED C=C[C@H]1CCCCN1C(=O)CSc1ccc(C)cc1 488817121 FCMYQWHSMNNMBV-AWEZNQCLSA-N 275.417 3.654 30 20 CHED COc1cccc(C2(C/N=C\c3ccccc3O)CC2)c1 811624600 KIXMWIYZWXSBQX-UNOMPAQXSA-N 281.355 3.552 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1c1ccc(C#N)nc1 572155645 NXISOXVPUDCAMS-STQMWFEESA-N 257.381 3.604 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)ccc1-n1cccn1 480711054 XOISPXAWFIHPJT-UHFFFAOYSA-N 289.766 3.821 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2c(F)cccc2[nH]1 489797367 RRJPWFMSIHHTDW-UHFFFAOYSA-N 274.339 3.639 30 20 CHED Cc1c(C)c(C)c(CNC(=O)c2ccc(C#N)o2)c(C)c1C 484163348 UXNLWQPGJQGXOL-UHFFFAOYSA-N 296.370 3.623 30 20 CHED C=CCCN[C@@H](C)[C@@H](C)c1nc2ccccc2s1 658116963 PLAZMCXXNGZXSP-NEPJUHHUSA-N 260.406 3.954 30 20 CHED C=CCn1cccc1C(=O)NCc1oc2ccccc2c1C 488943393 NKUKECNQGVQYMB-UHFFFAOYSA-N 294.354 3.659 30 20 CHED C=CCC1(NC[C@@H](C)CCc2ccccc2)CCOCC1 657633796 XEXDQZFTIZSNMQ-KRWDZBQOSA-N 287.447 3.970 30 20 CHED COc1ccc(CCNN=C2CCC[C@H]2C(C)(C)C#N)cc1 814855553 PKLPVAIBLLMFSC-MRXNPFEDSA-N 299.418 3.533 30 20 CHED C=CC[C@H]1CCCC[C@@H]1Nc1cnn(Cc2ccncc2)c1 657955183 FCHYBAHJIFVAKA-WMZOPIPTSA-N 296.418 3.873 30 20 CHED Cc1nc(N2CCC(c3cccc(F)c3)CC2)ccc1C#N 813592614 QBBRBRCBNMQWHK-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(OC(F)F)c1 577941146 HLPFHZWQDGCXAA-UHFFFAOYSA-N 283.318 3.507 30 20 CHED CC(C)(C#N)Cc1nc(C(C)(C)c2cccc(F)c2)no1 576741772 YHZXYLZPUZSLQD-UHFFFAOYSA-N 287.338 3.627 30 20 CHED Cc1nsc(NC[C@@H](C)c2ccc(F)cc2)c1C#N 572187301 LAXXJCWKLMDXAR-SECBINFHSA-N 275.352 3.678 30 20 CHED C#CCCNc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 494066024 URBZQXSLRYGANB-CYBMUJFWSA-N 288.391 3.708 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(C)c2F)C1 666565088 GMMZNNPOYLJXRX-ZDUSSCGKSA-N 276.355 3.954 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H]2CCCC2(F)F)cc1 824799532 OHVFKFLUOURORK-TZMCWYRMSA-N 294.345 3.502 30 20 CHED CC[C@@H]1CCC[C@@H]1CNCc1ccc(O[C@H](C)C#N)cc1 824655247 VSTRAOHVTLNBAD-DJIMGWMZSA-N 286.419 3.893 30 20 CHED C=C(C)CN(C)C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 497831186 HOCYWUGEWIRLDH-RYUDHWBXSA-N 292.345 3.573 30 20 CHED C=C[C@](C)(CCOC)C(=O)Oc1cccc(C2CC2)c1 822160171 KMPMSSKNLXETLJ-QGZVFWFLSA-N 274.360 3.698 30 20 CHED Cc1cccc2c1CCN2C(=O)c1cc(C#N)ccc1Cl 586759306 KEPVEEANIUQVLP-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CC(C)(C)C#CC(=O)Nc1nc(Cc2ccccc2)cs1 837524270 PMCXPASGSCLNOL-UHFFFAOYSA-N 298.411 3.722 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1ccc(F)c(Cl)c1 835110350 IIJKNKFITREMAE-PXWWUCIGSA-N 298.741 3.674 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N[C@H](C)CC#N 499859108 DZGROPMPWMSRKJ-UKRRQHHQSA-N 264.413 3.791 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](CCC#N)c1ccccc1 495261205 VORGPZBTCDPVES-DLBZAZTESA-N 297.402 3.782 30 20 CHED CC(CCCc1cccnc1)=NN[C@H](C)C(C)(C)C 834981255 KWOBFYLXGMYZST-CQSZACIVSA-N 261.413 3.804 30 20 CHED C=CC[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccncc1 830263677 HCVSRPGNBKZDPZ-GOSISDBHSA-N 296.414 3.716 30 20 CHED C[C@]1(CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)CC1(Cl)Cl 839056853 LADWMYHIOMOTCR-FOGDFJRCSA-N 290.190 3.586 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(F)cc2C)c1 588476496 CKEFGCWWOXEJLX-XQRVVYSFSA-N 255.292 3.734 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(C)o1 734302340 AUAVLTQRNXQJLC-UHFFFAOYSA-N 268.238 3.841 30 20 CHED C#CCOc1cccc(NC(=O)/C=C(\C)c2ccccc2)c1 730977875 BTYULDJRMISUPH-FYWRMAATSA-N 291.350 3.741 30 20 CHED COc1cc(NC[C@@H](C#N)CCC#N)cc2ccccc12 901643166 HNFBJGNCIJYETE-CYBMUJFWSA-N 279.343 3.704 30 20 CHED C[C@@H]1CCN(C(=O)c2ccsc2C#N)c2ccccc21 902594618 CQNCKXUXAGMZRX-LLVKDONJSA-N 282.368 3.774 30 20 CHED CCCCn1nc(C)c(C=NNC(CC)CC)c1Cl 734366363 OVNVUTQEHJCONG-UHFFFAOYSA-N 284.835 3.757 30 20 CHED CCc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)s1 734240659 QVXSXNPJEAXKCP-INIZCTEOSA-N 290.432 3.903 30 20 CHED C=CCCC[C@@H](NCc1ccccc1C(C)C)C(=O)O 900068241 CJCGYKOKCZXLFA-MRXNPFEDSA-N 275.392 3.709 30 20 CHED CC1CCC(C=NNc2ccc(C(=O)O)c(F)c2)CC1 835009125 ODULPVQGRGZFMF-UHFFFAOYSA-N 278.327 3.748 30 20 CHED Cc1ccsc1C=NNc1cc(F)c(F)cc1F 734302457 DETROJIAGJIHAS-UHFFFAOYSA-N 270.279 3.920 30 20 CHED C=CCn1c(-c2sccc2C)nnc1N(CC)CCC 584141286 RXRNNIQYRVPYAJ-UHFFFAOYSA-N 290.436 3.737 30 20 CHED C=CC[C@@H](NC(=O)/C=C\c1cccs1)c1ccncc1 734235190 YHZIADNRZGOYKK-IDTUSYRASA-N 284.384 3.590 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(CC(F)(F)F)c1 837442299 CEEDZKUWCTVQGR-UHFFFAOYSA-N 283.293 3.779 30 20 CHED C#CCCCCCCOC(=O)[C@@H]1CC12CCSCC2 835712730 JVLAXHOCGFIIHK-AWEZNQCLSA-N 280.433 3.647 30 20 CHED CC1CCN([C@@H](C/N=C/c2ccccc2O)C(C)C)CC1 915113142 OZVOGJCQVYBRMJ-DAQNXSASSA-N 288.435 3.568 30 20 CHED CC(Cc1cnccn1)=NN[C@@H](C)c1ccc(C(C)C)cc1 834943365 YTHDVYRZLWZFAY-HNNXBMFYSA-N 296.418 3.869 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1cn(CC(C)C)nc1C(F)F 835298623 QGJKUQAGWQHFOE-SNVBAGLBSA-N 286.322 3.598 30 20 CHED CCOc1ccccc1[C@@H](CC)NC(=O)C#CC(C)(C)C 837384724 OZEOFEDIYKKKNW-OAHLLOKOSA-N 287.403 3.702 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccc(F)c(C#N)c2)C1 598218035 CWXKDDKVOGLCIQ-UHFFFAOYSA-N 288.366 3.740 30 20 CHED C[C@H]1CN([C@H](C)c2ccc(C#N)cc2)C[C@@H](C)C1(F)F 599057503 FNWFNCMAXZVDPX-FRRDWIJNSA-N 278.346 3.842 30 20 CHED N#CCCC1CCN(Cc2cc(F)cc3cccnc23)CC1 592136111 YNJCFUFMHJOWJM-UHFFFAOYSA-N 297.377 3.890 30 20 CHED CC(C)(C)N(Cc1ccsc1)Cc1ccc(C#N)cn1 595600795 JTVHHJDFJRHIBU-UHFFFAOYSA-N 285.416 3.815 30 20 CHED C1CCC(NN=C2CCC(OC3CCCC3)CC2)C1 834954651 SKHOMDDDYYTJCD-UHFFFAOYSA-N 264.413 3.776 30 20 CHED CC(C)ON=Cc1ccc(NC(=O)OC(C)(C)C)cc1 835003076 VTRGRDNFEWKOFA-UHFFFAOYSA-N 278.352 3.793 30 20 CHED N#C[C@]1(F)CCN(CC(c2ccccc2)c2ccccc2)C1 590363743 HUFAMRGZWJWYIC-LJQANCHMSA-N 294.373 3.756 30 20 CHED CC[C@H](C#N)C(=O)NCC(CC)(CC)c1ccc(F)cc1 598581761 PWJSBZDBRDXBHN-CYBMUJFWSA-N 290.382 3.549 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccsc1 594023175 DRBLGLBFMKGYNL-CHWSQXEVSA-N 298.411 3.676 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccccc1OC 743450928 UUFIDAQWFJLZOX-AWEZNQCLSA-N 262.397 3.978 30 20 CHED N#CCCOc1ccc2cc(Br)ccc2c1 19481707 MINQRGRBMIQHAT-UHFFFAOYSA-N 276.133 3.895 30 20 CHED COc1cc(OCCC(C)(C)C#N)ccc1Br 594905420 YZNOJCSUGKLMID-UHFFFAOYSA-N 298.180 3.776 30 20 CHED CC1(C)C(=NNCc2ccccc2Cl)[C@@H]2CCCO[C@H]21 743438638 NTNDJMOSYVWTFJ-SWLSCSKDSA-N 292.810 3.621 30 20 CHED CCC[C@H](C#N)NC(=O)CCCc1ccc2c(c1)CCCC2 593108363 WGAYCLYNLXOPMZ-GOSISDBHSA-N 298.430 3.697 30 20 CHED C=C(CC)CNC(=S)Nc1cccc(Br)c1 840825865 BVXKFYKNXBUDSB-UHFFFAOYSA-N 299.237 3.702 30 20 CHED COc1ccc([C@H](C)/N=C\c2cccc(OC)c2O)cc1 745624121 FZPURLRNSASNRO-SJWFJVLYSA-N 285.343 3.590 30 20 CHED CCc1ccccc1NN=Cc1ccc([N+](=O)[O-])cc1 915051229 AIYAHZNKUYZXRO-UHFFFAOYSA-N 269.304 3.603 30 20 CHED C#CCN(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 919723924 PKMYHAIKMTUEIW-LLVKDONJSA-N 267.294 3.864 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CC[C@H](SC)C1 743679617 BXMRPFBODJXDSI-KGLIPLIRSA-N 284.469 3.658 30 20 CHED CC(C)Cn1nccc1C=NNc1nccc2sccc12 842523864 BDICUVIEEAFIJJ-UHFFFAOYSA-N 299.403 3.595 30 20 CHED C=C[C@@H](C)ONC(=O)CSc1ccc(C(C)C)cc1 846551133 STLZAYQIIWEOKP-GFCCVEGCSA-N 279.405 3.524 30 20 CHED Cc1nc(SCCOc2cccc(C#N)c2)sc1C 741856764 JLAPXXDJRBXSSL-UHFFFAOYSA-N 290.413 3.803 30 20 CHED CCCCc1ccc(CC(=O)N2CCC[C@H](CC#N)C2)cc1 597916917 UPBMHTVRRDXNNW-GOSISDBHSA-N 298.430 3.724 30 20 CHED COc1ccc([C@@H](C)CC/N=C\c2cccc(O)c2O)cc1 741465384 VCAAAIDJZQCIKS-QXGSTRBFSA-N 299.370 3.719 30 20 CHED CC(C)(O)CCSCc1cc(Cl)ccc1OCC#N 848442268 AITNVLPTNPDLQT-UHFFFAOYSA-N 299.823 3.637 30 20 CHED C=C(C)CCOC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 744302954 JHVSZDJAYWMDGU-QWRGUYRKSA-N 264.287 3.865 30 20 CHED Cc1ccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)s1 912825281 PHWHDCXHGYUQHH-UHFFFAOYSA-N 292.314 3.657 30 20 CHED CCO[C@@H]1C[C@H](/N=C\c2cccc(O)c2O)C1(CC)CC 749845858 URMYEPUFTLVWGG-UCEVQLITSA-N 291.391 3.501 30 20 CHED COc1cc(C)ccc1NC(=O)CC1(C#N)CCCCC1 596862277 FENARXGCUUXHSB-UHFFFAOYSA-N 286.375 3.806 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1ccccc1 915051072 KOBHSGUGFIBFDI-UHFFFAOYSA-N 279.265 3.937 30 20 CHED COc1ccc(C(=O)OCCCCC#N)c2ccccc12 912958427 LQTDIFMXOQBUQB-UHFFFAOYSA-N 283.327 3.699 30 20 CHED C[C@@H](CCc1ccccc1)N=c1[nH]c(C#N)c(Cl)s1 590568653 ACQLCGMEFKSNIZ-JTQLQIEISA-N 291.807 3.523 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)c1cccc(F)c1F 843268156 IHZZVGDDQRCEAE-SREVYHEPSA-N 290.313 3.713 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1csc2ccccc12 748310857 TYMRLVNFHHYAOB-SNVBAGLBSA-N 295.367 3.592 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1Br)C1CC1 595765749 NMAHGGKLAPCBSO-CQSZACIVSA-N 293.208 3.599 30 20 CHED C(=NNc1ccc2ccccc2n1)c1ccsc1 916285911 PGVSQDDSQOKLCU-UHFFFAOYSA-N 253.330 3.742 30 20 CHED C#CCNC(=O)Nc1ccc(C(C)C)cc1C(C)C 915345874 UZJYSGDWSPDKTR-UHFFFAOYSA-N 258.365 3.688 30 20 CHED COC(=O)Cc1ccc(NN=C[C@@H]2CCC[C@H](C)C2)cc1 844606324 UKRWUAUUFHPJLV-DZGCQCFKSA-N 288.391 3.626 30 20 CHED C[C@H](C#N)CNC(=N)Nc1cccc(Oc2ccccc2)c1 849096402 BIKBQEXPPSHMAI-CYBMUJFWSA-N 294.358 3.575 30 20 CHED Cc1c(C(=O)N2CCC[C@@H]3C[C@H]32)sc2ccc(C#N)cc12 590038660 ULZXMNBASZQVLC-TZMCWYRMSA-N 296.395 3.706 30 20 CHED C=CCCSCCN[C@@H](C)c1sc(CC)nc1C 595057169 BFQUIWSWGCDQBW-NSHDSACASA-N 284.494 3.974 30 20 CHED CCOc1ccccc1C=NOCCOc1cccc(C)c1 849811956 OJILTNVDKBTCSG-UHFFFAOYSA-N 299.370 3.823 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1CCc2cc(C)ccc21 920178470 RHEZHLNFUIQFAX-ZVCOJXFSSA-N 281.355 3.816 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](CCC#N)c1ccccc1 925602242 SNDKTSCQDHLZAT-GOEBONIOSA-N 269.392 3.949 30 20 CHED CC[C@@H](NCc1ccc(OCC#N)cc1)[C@H]1CC1(C)C 840726887 NXEFZHDQPZQEHR-HZPDHXFCSA-N 272.392 3.503 30 20 CHED CCOc1ccccc1C=NNc1cccc(F)c1 920383231 CBOQUHYAYLGXEM-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C=CCC[C@@H](OC(=O)c1ncnc2ccsc12)C1CC1 850906821 XTNKKKMJEDGFTL-GFCCVEGCSA-N 288.372 3.593 30 20 CHED Cc1ccc(NN=C2CCc3cccnc3CC2)cc1F 853438178 QSSLKWZPFRVEQR-UHFFFAOYSA-N 283.350 3.876 30 20 CHED C=CCCOCC(=O)Oc1ccc(-c2ccccc2)cc1 920790336 WQUOOHZGBVWUGP-UHFFFAOYSA-N 282.339 3.852 30 20 CHED Cc1ccc(C(=O)OC[C@H](C#N)Cc2ccccc2)cc1C 750782732 FFNCVXVVXSOIMZ-KRWDZBQOSA-N 293.366 3.843 30 20 CHED C[C@@H](C=NNc1cnc2ccccc2n1)c1ccc(F)cc1 756889740 PFRGRIIYLWXTAU-LBPRGKRZSA-N 294.333 3.970 30 20 CHED CCC(=NNc1cc(F)cc(Cl)c1)[C@H]1CCOC1 853396874 RNUVQSBGJIKEKE-VIFPVBQESA-N 270.735 3.694 30 20 CHED N#Cc1ccc(NN=C/C=C\c2ccc(F)cc2F)cc1 758105270 MIZXHFFXUCHGHI-QUOARBMVSA-N 283.281 3.948 30 20 CHED C=C(Br)COC(=O)C(C)(C)CC(C)C 753509714 ZFSRLZUNTTUXKA-UHFFFAOYSA-N 263.175 3.511 30 20 CHED CCOc1ccccc1C=NOCc1cc(C2CC2)no1 853639028 FLQGSXQQVCINQE-UHFFFAOYSA-N 286.331 3.501 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 759281125 GPXIXDYNKHNHHT-SCOAYWHSSA-N 296.414 3.856 30 20 CHED C=C(Cl)CNC(=O)CCC(C)(C)c1ccccc1 754041705 VVQGVGIQXCNZBU-UHFFFAOYSA-N 265.784 3.613 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 854693989 CMOLKQPBCWXKBG-NHYWBVRUSA-N 297.320 3.884 30 20 CHED CC[C@@H](C)CCCCC(=O)N(CCC#N)CC(C)C 751506818 QIKLOOHVHSYPJP-OAHLLOKOSA-N 266.429 3.991 30 20 CHED CC(CCc1ccc(F)cc1)=NN=c1cc[nH]cc1Cl 756839614 RHKGNASROJNJJE-UHFFFAOYSA-N 291.757 3.717 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc(C(F)(F)F)nn1 754709128 NJQQRIIDWLUMBO-SECBINFHSA-N 286.301 3.719 30 20 CHED Cc1cc(C)cc(NC(=O)C2(C#N)CCCCC2)c1 44385306 RHHFGVBCOUMTIU-UHFFFAOYSA-N 256.349 3.716 30 20 CHED CC1(C)C(=NNc2cccc(C#N)c2)[C@H]2CCC[C@H]21 853285307 OANFMBDMSGJHFY-UONOGXRCSA-N 253.349 3.782 30 20 CHED C[C@H]1CC/C(=C/C(=O)Nc2ccc(C#N)c(Cl)c2)C1 753626571 QMPSXVONOAKWMY-QBQSQJOESA-N 274.751 3.897 30 20 CHED Fc1cccc(Cl)c1CCC=NNC1CCCC1 755689042 KESFZLRCHXYFCR-UHFFFAOYSA-N 268.763 3.930 30 20 CHED C=CCC(C)(C)CNC(=O)CC[C@H]1CC1(Cl)Cl 854646883 JDQSBNDQXZJXSD-JTQLQIEISA-N 278.223 3.679 30 20 CHED Clc1cccc(CNN=CC2=Cc3ccccc3OC2)c1 756831119 HKHXUEOVIBAUJJ-UHFFFAOYSA-N 298.773 3.891 30 20 CHED C=C(C)CCOC(=O)C[C@@H](C)c1ccc(OC)cc1 750737036 DUBZXANPGNIDRN-CYBMUJFWSA-N 262.349 3.698 30 20 CHED CC(C)Cc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)s1 935353207 PYJIAWLXBGRENB-INIZCTEOSA-N 290.432 3.712 30 20 CHED C=C[C@H](CC(=O)OCc1nccs1)c1ccccc1 758919712 HIYGFPZNPQELRD-GFCCVEGCSA-N 273.357 3.546 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H]1CCC[C@H](C)C1 930014334 HURCJFLAEUAUSM-WFASDCNBSA-N 270.376 3.517 30 20 CHED Brc1cc(NN=C[C@@H]2CC=CCC2)ccn1 769817906 ZJDXTWPGJFGTJL-SNVBAGLBSA-N 280.169 3.598 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1cc(F)c(F)c(F)c1 935265372 FARVRRLGPWWUGW-SNVBAGLBSA-N 285.309 3.665 30 20 CHED N#CC1(CC(=O)OC2CCC(F)(F)CC2)CCCCC1 860973509 CBHVORJTARFBGF-UHFFFAOYSA-N 285.334 3.972 30 20 CHED Cc1cc(OC(=O)/C=C\SCc2ccco2)ccc1C#N 765113081 KIGPXEOYVYQDOV-VURMDHGXSA-N 299.351 3.812 30 20 CHED CCC1(CC)C(=NNc2nncc3ccccc23)C[C@@H]1OC 762604939 RMQFHYQGGVNCQQ-HNNXBMFYSA-N 298.390 3.623 30 20 CHED Fc1ccc(-c2nc(C=NNc3ccccn3)cs2)cc1 767032334 GTTRVJDRQFKDBU-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C=CCCC1=NNC(=Nc2c(C)cccc2C)SC1 762432980 XASQGISFSCLMDK-UHFFFAOYSA-N 273.405 3.950 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H](c2ccccc2OC)C1 933284459 IEMIWNKCUUPSDW-HUUCEWRRSA-N 287.403 3.613 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccc(C)c(F)c2)cc1 764739351 UFKPKWHDRPVOGW-OAHLLOKOSA-N 297.373 3.997 30 20 CHED FC(F)(F)C1CCC(=NNc2cncc(Cl)n2)CC1 766018581 NMLIWQOVSKMDAR-UHFFFAOYSA-N 292.692 3.650 30 20 CHED C[C@@H]1CCC(=NNc2nc(O)c3ccccc3n2)C[C@H]1C 767386151 SJTNJYINTQOLCG-GHMZBOCLSA-N 284.363 3.559 30 20 CHED C=C[C@@H](Cc1nc([C@]2(C)CCCO2)no1)c1ccccc1 763341673 YALOLMKAQDIYNG-GUYCJALGSA-N 284.359 3.608 30 20 CHED Fc1ccc(C=NNCc2cnc3ccccc3c2)cc1F 764778031 FRGDAMCYHREQIO-UHFFFAOYSA-N 297.308 3.637 30 20 CHED CC1(C)CN(C(=O)c2csc(C#N)c2)c2ccccc21 1118951454 BPFMWSZSZKJCLL-UHFFFAOYSA-N 282.368 3.558 30 20 CHED CCc1oc2ccccc2c1C(=O)N[C@H](C#N)C1CCCC1 1119506171 LLHOXMVWIFFCCC-CQSZACIVSA-N 296.370 3.807 30 20 CHED COc1ccsc1/C=C1/Cc2ccccc2C1=O 764435180 KGTJSJFXSZGCDM-LUAWRHEFSA-N 256.326 3.579 30 20 CHED C=C(Cl)COC(=O)[C@H]1CCc2c(Cl)cccc21 775929087 OHQRGVDIFIVRHF-NSHDSACASA-N 271.143 3.666 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1SCC#N 775925136 RDHUZPBBGMXRNJ-CYBMUJFWSA-N 288.416 3.777 30 20 CHED C=CC[C@H](OC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1 778746414 WSRAAKYXAJZMGG-INIZCTEOSA-N 282.343 3.761 30 20 CHED CCCCCCCCCC(=O)N1CCCOC[C@@H]1C 773141047 OLYLUHKCLDUTCZ-HNNXBMFYSA-N 269.429 3.765 30 20 CHED Cc1ccsc1/C=C1/Oc2cc(F)ccc2C1=O 773174796 XULGPKYHKUCTGU-KPKJPENVSA-N 260.289 3.812 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc2occc2s1 776385106 CPZYXSIWDFJGAT-UHFFFAOYSA-N 263.318 3.591 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NOC(C)(C)C 1116404118 AODMMEHBCQCJNO-UHFFFAOYSA-N 271.364 3.638 30 20 CHED O=C(/C=C/c1c[nH]nc1-c1ccccc1F)c1cscn1 776193541 QYBAMDLQYXLETQ-AATRIKPKSA-N 299.330 3.568 30 20 CHED COc1ccc(C(C)=NOCCC(F)(F)F)c(F)c1 777460394 OOWRJNBTJUXWDQ-UHFFFAOYSA-N 279.233 3.527 30 20 CHED COC(=O)c1ccccc1NN=C[C@@H](C)c1ccccc1 776187642 WBSFMJLUTSONBY-CYBMUJFWSA-N 282.343 3.675 30 20 CHED C=CC(C)(C)CC(=O)Nc1sc(C)c(C)c1C#N 887643758 CZCRNHZQZWSBSS-UHFFFAOYSA-N 262.378 3.777 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)c(O)cc1Cl 885679768 GTRUIJJJEJSIHN-UHFFFAOYSA-N 271.719 3.726 30 20 CHED Cc1ccc(NN=Cc2cn(C)nc2-c2ccccc2)cc1 771553353 OSFAZHNQSZCHNY-UHFFFAOYSA-N 290.370 3.842 30 20 CHED CC(=NOC1CCCC1)c1cc(Br)ccc1O 774597722 WUQYYTIYWSTHRJ-UHFFFAOYSA-N 298.180 3.838 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2sccc2O)c1 773143298 QGRVOJOQMFIPFM-HYXAFXHYSA-N 262.305 3.797 30 20 CHED CCC(=NNc1cc(Cl)ccn1)c1ccc(OC)cc1 777907057 LYVILTQGDCJJRR-UHFFFAOYSA-N 289.766 3.970 30 20 CHED C=C1CCC(C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 887746118 YRWRAGQMSPJEDT-UHFFFAOYSA-N 291.366 3.539 30 20 CHED C#CCC1(C(=O)NC2CCCCCC2)CCCCC1 788131343 QXKNBLVPVIZPNM-UHFFFAOYSA-N 261.409 3.799 30 20 CHED COc1ccc(NN=C/C(C)=C/c2ccccc2)nc1 780271454 RYVOAPZVCYCKSL-XFZGLGFCSA-N 267.332 3.591 30 20 CHED CC(C)CCN(CCC#N)C(=O)CCCc1ccsc1 783413764 IUDZGPPLHUFXNO-UHFFFAOYSA-N 292.448 3.859 30 20 CHED COCC(=NNc1cccc2cnccc12)C1CCCC1 780226130 USEJJJFLJRTWEA-UHFFFAOYSA-N 283.375 3.839 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC2CCC(C)(C)CC2)n1 1129379102 WUJIKKRKDPNOOO-UHFFFAOYSA-N 285.391 3.807 30 20 CHED CC[C@H]1CCCN1c1nccc(Oc2cccc(C#N)c2)n1 881910886 FIZGRYTUPYPTAI-AWEZNQCLSA-N 294.358 3.519 30 20 CHED CC[C@@H](C#N)OC(=O)C(c1ccccc1)c1ccccc1 781131230 FXRVSFHFJJNWBV-INIZCTEOSA-N 279.339 3.664 30 20 CHED C[C@H]1Cc2cc(CN(CCC#N)Cc3ccco3)ccc2O1 891466025 YFULFJMCXIPOSV-AWEZNQCLSA-N 296.370 3.519 30 20 CHED C=C1CC(c2noc(CSc3ccc(C#N)cc3)n2)C1 896882235 RYVYXZRMKSQDLC-UHFFFAOYSA-N 283.356 3.667 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)CC1 897361385 GQFGEPHHVLSYFL-NUEKZKHPSA-N 261.409 3.770 30 20 CHED C[C@H](Sc1ccc(Cl)nn1)c1cccc(C#N)c1 785443642 KTAFPTUVCJEPMP-VIFPVBQESA-N 275.764 3.855 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(Cl)cccc1OC 893188702 SSWYRKRJRVLYHO-UHFFFAOYSA-N 267.756 3.889 30 20 CHED Cc1ccccc1[S@](=O)CCCCC1(C#N)CCC1 899279409 XHTNUUUNURLTLL-LJQANCHMSA-N 275.417 3.967 30 20 CHED COc1ccc(NN=C(CC2CC2)c2ccccc2)nc1 780275796 FXWMDLCLXLMPHX-UHFFFAOYSA-N 281.359 3.707 30 20 CHED CC(C)(C)OCCCCOC(=O)C1(C#N)CCCCC1 789035739 PHFVEBFEDUPSKA-UHFFFAOYSA-N 281.396 3.599 30 20 CHED Cc1nc(N[C@@H](c2ccncc2)C2CC2)c(Cl)cc1C#N 897423731 OSPBSETYZVFLAR-OAHLLOKOSA-N 298.777 3.873 30 20 CHED CC[C@@H](C)NN=Cc1cc(Cl)c(OC)cc1Cl 790191153 TVTJDSGSPWJMTQ-MRVPVSSYSA-N 275.179 3.724 30 20 CHED C#CCCCNc1cnn(-c2cccc(C)c2)c1CC 790325166 PBHJAVBTEOBUJV-UHFFFAOYSA-N 267.376 3.568 30 20 CHED CC(C)(C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567480 JAQZPBRRNCMBAV-SECBINFHSA-N 264.394 3.663 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(C#N)cc1C 165436906 UJYMOJWDWYSHDA-UHFFFAOYSA-N 264.372 3.889 30 20 CHED CC[C@@H](C)NN=Cc1ccc(F)cc1C(F)(F)F 790183994 QMIGLUBIIFBBRX-MRVPVSSYSA-N 262.250 3.567 30 20 CHED CC(C)n1cc(Cl)c(NC(=O)CCCCCC#N)n1 894878456 YGCVHZZJSIVZDU-UHFFFAOYSA-N 282.775 3.530 30 20 CHED C=CCCCCC[C@H](C)NCCc1cn2c(n1)SCC2 793551400 HTRYZQMBCWMENG-AWEZNQCLSA-N 293.480 3.646 30 20 CHED CC(C)[C@H]1CCCC(=NN[C@H]2CCOC(C)(C)C2)C1 794535449 HVTWSJDGNVRCOO-ZFWWWQNUSA-N 266.429 3.736 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(Br)cs2)C1 397597038 DTRILZWWYQMYOZ-JTQLQIEISA-N 299.237 3.636 30 20 CHED C[C@@H]1C[C@@H](Nc2cccc(Cl)c2C#N)CS1 397847656 ITYQQMVEDOINFP-RKDXNWHRSA-N 252.770 3.518 30 20 CHED C=CCNN=C(CC)c1cc(Cl)cc(Cl)c1O 794998541 LEADLQRQMWJIRX-UHFFFAOYSA-N 273.163 3.589 30 20 CHED N#Cc1cccc(CN2CC[C@@H](C3CCCC3)C2)c1F 708816206 BSTIMAHGLVEIGG-OAHLLOKOSA-N 272.367 3.709 30 20 CHED N#CC1(COC(=O)Cc2coc3ccccc23)CCCC1 797242684 MJNMSWPOWINDRV-UHFFFAOYSA-N 283.327 3.602 30 20 CHED CC(CSC(C)(C)C)=NNc1ncccc1F 794989664 ACVHNUUMMQOYSF-UHFFFAOYSA-N 255.362 3.540 30 20 CHED CC(C)c1ccoc1C(=O)OCCOc1ccccc1C#N 792625921 YYOWASACQCCJED-UHFFFAOYSA-N 299.326 3.510 30 20 CHED Cc1ncc(CON=Cc2cccc(Cl)c2Cl)cn1 795200231 RCGDZSMQPCHUHH-UHFFFAOYSA-N 296.157 3.643 30 20 CHED CC(C)c1ccoc1C(=O)OCc1ccc(CC#N)cc1 790920178 IAKFRTITNICROM-UHFFFAOYSA-N 283.327 3.826 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(Cl)cn2)C1 661380318 FOEHYPYUURCDKQ-GFCCVEGCSA-N 250.773 3.523 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CCC12CCCC2 693855386 STPKSBRWRQPCIE-QGZVFWFLSA-N 269.388 3.511 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 85069467 IBKUUMUXXGIZDK-ZIAGYGMSSA-N 262.397 3.545 30 20 CHED C#CCCCN(C)Cc1ccc(Cl)c(Cl)c1 766895003 HYRIJALRCZZOHL-UHFFFAOYSA-N 256.176 3.839 30 20 CHED COc1ccc(F)cc1[C@H](C)NCc1cc(C#N)cs1 93492392 KNGRGTPWPVWXJV-JTQLQIEISA-N 290.363 3.618 30 20 CHED C#CCN(Cc1ccc(CC#N)cc1)C1CCCCC1 784140412 LFJCJZLVXFVYFW-UHFFFAOYSA-N 266.388 3.521 30 20 CHED C=Cc1ccc(CCNc2cc(C)c(C#N)cn2)cc1 1307126541 XJXKCZIHXCGZGH-UHFFFAOYSA-N 263.344 3.559 30 20 CHED Cc1cc(NCC(C)(C)c2ccc(F)cc2)ncc1C#N 1306957588 BTIREEFGTXTOHU-UHFFFAOYSA-N 283.350 3.791 30 20 CHED COc1cc(/C=C2\Cc3c(OC)cccc3C2=O)ccc1F 1320163416 ANULSAOLPQIWDN-XYOKQWHBSA-N 298.313 3.665 30 20 CHED CCC1(CC)CCC(N=c2cc(C)[nH]cc2C#N)CC1 1655438098 ZGPOQFYTBDCDCL-UHFFFAOYSA-N 271.408 3.845 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1ccc(N(C)C)cc1 1329869529 YRDFQPNLYWPEOK-GFCCVEGCSA-N 285.416 3.537 30 20 CHED C=CCC1(c2nnc(CCc3ccccc3)o2)CCC1 1326107361 SKIQNWWJPRBGEG-UHFFFAOYSA-N 268.360 3.853 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cccc2cn[nH]c12 1252256733 RQLWAJYWJFSRNY-CYBMUJFWSA-N 272.396 3.845 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)CC#Cc1ccccc1 1252951761 XRFVETDDOVMUFJ-DLBZAZTESA-N 269.388 3.513 30 20 CHED N#Cc1cnnc(NCC2(Cc3ccccc3)CCCC2)c1 1185978428 HPXCAQAXJFZMMW-UHFFFAOYSA-N 292.386 3.563 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)c1cccs1 1336220067 ZZAMZYCKYHNJLA-QWHCGFSZSA-N 263.406 3.809 30 20 CHED C=C[C@@H](C)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 1332226935 VTIVAPDLFLUEAC-XNPJLODASA-N 270.159 3.697 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)cc1F)C(C)C 1262675198 AXGQQQVWKCUJEO-UHFFFAOYSA-N 276.355 3.738 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 1263630141 BYMVGHVDABLDLN-MRXNPFEDSA-N 286.375 3.852 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NCCCCCSC 1340072994 DGOUEZHWVCTILZ-CQSZACIVSA-N 284.469 3.660 30 20 CHED N#Cc1cc(-c2nc([C@H]3CCCCS3)no2)cs1 1347936211 URWADDQMHWWPEU-SNVBAGLBSA-N 277.374 3.628 30 20 CHED Cc1ccc(CNC(=O)[C@@H](CC#N)c2ccccc2)c(C)c1 1358225158 ZREAMSKSFWTDIP-SFHVURJKSA-N 292.382 3.617 30 20 CHED Cc1cc(F)cc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 1355850011 WJPYQGDUPMVGJX-CYBMUJFWSA-N 296.345 3.823 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1ccc2c(c1)CCO2 1353905294 PGBNOSCUDGGBTO-QGZVFWFLSA-N 299.414 3.511 30 20 CHED Cc1ccc(COC(=O)c2ccc(C#N)cc2F)c(C)c1 1435936973 VPYHTJQXURXACM-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC1(C)C(CNc2nc(C#N)c(Cl)s2)C1(C)C 1458340288 HSBCZIHBWIYNRX-UHFFFAOYSA-N 269.801 3.762 30 20 CHED CCC(CC)(CNc1cc(C#N)ncn1)c1ccc(F)cc1 1458498041 FOOFQWWAHXVUSC-UHFFFAOYSA-N 298.365 3.657 30 20 CHED C=C(CC)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 1520800237 PDOKDKQZENJKLQ-UHFFFAOYSA-N 272.175 3.918 30 20 CHED C=CC[C@H](Sc1ccc(Br)cc1)C(=O)O 1602848442 BHSAXMOKOITZCQ-JTQLQIEISA-N 287.178 3.571 30 20 CHED Cc1ccccc1C(C)(C)NCCc1ccc(C#N)cc1 1460143821 GUWVHMSURDCXOL-UHFFFAOYSA-N 278.399 3.934 30 20 CHED C[C@@H](C(=O)O)c1cccc(NC2CCC(C)(C#N)CC2)c1 1609645599 XKLHSASPXIZADW-RFSCMCKOSA-N 286.375 3.759 30 20 CHED Cc1cc(C#N)cc(NCc2nccn2-c2ccccc2)c1 1461578563 GDSTUSUWFMDSDL-UHFFFAOYSA-N 288.354 3.665 30 20 CHED CCC1(CC)[C@@H](Nc2cc(F)cc(C#N)c2)C[C@@H]1OC 1462500771 AXVMIKLFSPHZAA-GJZGRUSLSA-N 276.355 3.703 30 20 CHED Cc1cc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)ncc1C#N 1472696404 MOQSHAHKLZUEPH-KCQAQPDRSA-N 255.365 3.642 30 20 CHED CCC(CC)(CC)C(=O)Nc1cc(C#N)c(F)cc1F 1544828125 BUGXMGRBEYQPSW-UHFFFAOYSA-N 280.318 3.991 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2cc(F)cc(C#N)c2)C[C@H]1C 1624291863 VKHZTTNUPYPDLK-NQBHXWOUSA-N 274.339 3.708 30 20 CHED Cc1ccc(CCN[C@H](C)CC(C)(C)C#N)cc1C 1621431780 XPVDLNBEFVOYLJ-OAHLLOKOSA-N 258.409 3.764 30 20 CHED C[C@@H](CNc1ncc(C#N)cc1Br)C(C)(C)C 1559281243 MVUQXTCVPGLOJI-VIFPVBQESA-N 296.212 3.810 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)Nc1cc(C)c(C#N)cn1 1559233951 NEWZZRCSTNLMJO-INIZCTEOSA-N 283.350 3.834 30 20 CHED C=CCCCCCN(C)Cc1ccc(/C=C\C(=O)O)o1 1573367101 RWIAURJORJHYMZ-KHPPLWFESA-N 277.364 3.556 30 20 CHED CC(C)(C)[C@@H]1CN(c2cncc(C#N)n2)c2ccccc21 1642641183 GTZFQFPMLQPWGX-CQSZACIVSA-N 278.359 3.630 30 20 CHED Cc1nc(N[C@@H]2CCC[C@H]2C(C)(C)C)ccc1C#N 1651933194 QCHQMIZVUBOCMO-ZIAGYGMSSA-N 257.381 3.888 30 20 CHED C[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 1665385912 MBTYWQRKQMJCFX-JQWIXIFHSA-N 291.782 3.769 30 20 CHED C=C(CN[C@@H]1CCC[C@@H](OCC)C1)c1ccccc1 1661311015 QIHHHMNTNCAHNL-IAGOWNOFSA-N 259.393 3.637 30 20 CHED C[C@@H](CCC#N)CNC[C@]1(c2ccccc2)CC1(C)C 1665299047 XYOXNHCQFMUKSD-YJBOKZPZSA-N 270.420 3.884 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCC2(C)C)c1 1672281828 LDUJROUNKRTEJK-AWEZNQCLSA-N 271.364 3.567 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC(C)(C)C1CCC1 1675320580 IVZKIWSNZJPAIM-UHFFFAOYSA-N 285.391 3.815 30 20 CHED CC[C@@H](NN=Cc1ccc(C2CCCCC2)cc1)C(=O)O 1776067664 HAPOVVLGZIRGLF-MRXNPFEDSA-N 288.391 3.521 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cc(C(=O)O)c(C)o1 1777477185 GRYDEARBUKJBNS-ARJAWSKDSA-N 276.313 3.552 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccc(F)c(C(=O)O)c1 1776062545 YYZHNMWHRZCYDU-WDEREUQCSA-N 278.327 3.748 30 20 CHED CCCc1ccc(C=NNc2ccccc2C(=O)O)s1 1776030905 BXVUMFVVPKARJN-UHFFFAOYSA-N 288.372 3.845 30 20 CHED C=C(C)CCCC(=O)Nc1ccc([C@@H](C)C(=O)O)cc1 1776138290 CUZXWJPPTLJPHL-GFCCVEGCSA-N 275.348 3.560 30 20 CHED O=C(O)c1ccccc1NN=C[C@H]1C[C@@H]1c1ccc(F)cc1 1776030965 GGHYAOWXKKNSHO-IUODEOHRSA-N 298.317 3.725 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 232304323 BKAFJMVXGUYQQN-SECBINFHSA-N 298.173 3.761 30 20 CHED C=C1C[C@@H](C(=O)O)N(Cc2c(C)ccc3cc(C)ccc23)C1 1776147967 QUKJUQUMLSOTKJ-SFHVURJKSA-N 295.382 3.672 30 20 CHED CCC(=NNc1ccccc1C(=O)O)C1CCCC1 1776030643 AZTIVFHLOQURQW-UHFFFAOYSA-N 260.337 3.753 30 20 CHED CC#CC[C@H](NCc1ccc(C2CCCCC2)cc1)C(=O)O 1776194612 WUUFCXRSNVPBOV-SFHVURJKSA-N 299.414 3.691 30 20 CHED Cc1cccc(Cl)c1NN=Cc1cccc(C(=O)O)c1 1776060613 DSDODSJKFXTTNR-UHFFFAOYSA-N 288.734 3.793 30 20 CHED N#Cc1cccc(OCc2c(F)cccc2Cl)c1 11823142 SMMIHZCOJBRREB-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=C(Cl)COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 12110261 CBMLDLYGRAZVQA-UHFFFAOYSA-N 297.141 3.639 30 20 CHED C=CCN(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 161383017 RYIXDKSNWIACHF-UHFFFAOYSA-N 292.338 3.609 30 20 CHED C=C(C)COc1cc(CNC2(C)CCC2)ccc1OC 169055762 ZJCRGVKFHADKEY-UHFFFAOYSA-N 275.392 3.682 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2cnccc12 160574924 SNLXCNZSHVFBMZ-UHFFFAOYSA-N 266.344 3.942 30 20 CHED C=CCc1cc(CN2CCC3(CCC3)C2)c(O)c(OC)c1 164487975 DMYFLXXQGPTSOA-UHFFFAOYSA-N 287.403 3.505 30 20 CHED Cc1ccc(CN(C)C(=O)c2ccc(C#N)c(Cl)c2)cc1 153683252 WJYMXLWFJVTBFI-UHFFFAOYSA-N 298.773 3.792 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1NCc1ccc(C#N)cc1F 155023986 HNXCRWZHTDJKJG-UHFFFAOYSA-N 299.305 3.835 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(Cl)cc1 157727482 ZYENCCXSAMROST-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CCCCCCCCc1nc(C(C)(C)OC)no1 154086617 KCDDSYKDHLWMJA-UHFFFAOYSA-N 254.374 3.854 30 20 CHED C#CCCCCNC(=O)N(C)Cc1cccc2ccccc12 154896975 GELFRUUMMCNUKC-UHFFFAOYSA-N 294.398 3.785 30 20 CHED CN(CCCC#N)Cc1ccc(Cl)c(Cl)c1 159219089 VQCSVDMNOGKSLH-UHFFFAOYSA-N 257.164 3.729 30 20 CHED CC(C)c1nsc(COc2ccc(C#N)c(Cl)c2)n1 917522126 GVAJYASETRIVMB-UHFFFAOYSA-N 293.779 3.766 30 20 CHED N#Cc1cc2ccccc2nc1N[C@H]1CCC[C@H](F)C1 1261452358 BDQNNLQLBRLGFH-KBPBESRZSA-N 269.323 3.799 30 20 CHED N#C[C@H]1CCCN(Cc2csc(-c3cccs3)n2)C1 932160374 AXPBEQFQUAFMEF-LLVKDONJSA-N 289.429 3.607 30 20 CHED COc1cccc(CN(C)CCCCC(C)(C)C#N)c1 234880396 ZHLQBIGXDRWQHM-UHFFFAOYSA-N 274.408 3.847 30 20 CHED ON=C(Nc1cccc2cccnc12)c1cccs1 1857775818 MATJFBUSUIKQSW-UHFFFAOYSA-N 269.329 3.544 30 20 CHED CCC[C@H](C)N(C)c1nc(C(C)(C)C)ccc1C#N 1162140003 IZDMSMUEZXWVJM-LBPRGKRZSA-N 259.397 3.876 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCCC1CCCCC1 37500580 QFNKWRKMJJYQRO-UHFFFAOYSA-N 273.336 3.849 30 20 CHED CCCc1sc(C(=O)N[C@@](C)(C#N)CC)cc1CC 162094516 GPFILNVTLLFCHS-OAHLLOKOSA-N 278.421 3.685 30 20 CHED Cc1cc(Cl)ccc1C(=O)N(C)c1cccc(C#N)c1 164548523 WZPZFPMHLROMMR-UHFFFAOYSA-N 284.746 3.797 30 20 CHED Cc1cccc(F)c1NCc1ccc(C#N)cc1F 164797854 HIFYJFYCFKOTEC-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#CCCCCNC(=O)CCCC1CCCCC1 171509927 CGCRBNDGEGQKLV-UHFFFAOYSA-N 250.386 3.547 30 20 CHED C[C@H](CC(=O)N(C)c1ccc(C#N)cc1)CC(C)(C)C 61955028 CZEXJAHNIMFHMP-CYBMUJFWSA-N 272.392 3.983 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@H](c2nccs2)C1 301146395 LVRDHSOCVKMGCZ-NSHDSACASA-N 287.363 3.538 30 20 CHED C=C(C)CCN[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 400692902 ZNLJIGFMMDTAGR-CQSZACIVSA-N 296.455 3.578 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 79827046 FFSVHMZBMIQZIL-SECBINFHSA-N 298.173 3.761 30 20 CHED N#Cc1csc(CNc2ccccc2N2CCCC2)c1 93686016 TUKRFPQMXSNWIC-UHFFFAOYSA-N 283.400 3.832 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H]1C[C@H]2CC[C@H]1O2 450889044 PMNOVAMSTZSAHG-KZNAEPCWSA-N 271.404 3.632 30 20 CHED CN(c1ncc(C#N)cc1Cl)[C@H]1CCC(C)(C)C1 360054556 NGRJKIHNTZIQJS-NSHDSACASA-N 263.772 3.622 30 20 CHED COCc1csc(CNc2cc(F)cc(C#N)c2)c1 718509494 GLODFQOUKJBIFQ-UHFFFAOYSA-N 276.336 3.517 30 20 CHED CCC(CC)=NNc1ncnc2c1oc1ccccc12 7901568 NDILQXONRUAQMN-UHFFFAOYSA-N 268.320 3.964 30 20 CHED CC(C)c1ccc(CN(C)C(=O)C2(C#N)CCCC2)cc1 52738244 ZIQJSYHHAJLZHQ-UHFFFAOYSA-N 284.403 3.852 30 20 CHED C#Cc1cccc(N(C(=O)CCC2CC2)C(C)C)c1 115060408 FZDNHCNQWBMCKF-UHFFFAOYSA-N 255.361 3.600 30 20 CHED CC(C)(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 117564016 VTAAGSIXZUPBHQ-UHFFFAOYSA-N 278.355 3.766 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)N(C)Cc2cccc(C#N)c2)C1(C)C 25103755 ZIQWDZHISYQMDV-DLBZAZTESA-N 296.414 3.755 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1CCc2c(Cl)cccc21 116949453 JMLQUVXKGLQJHG-YGRLFVJLSA-N 278.783 3.591 30 20 CHED CC(C)CNC(=O)[C@H](C)S[C@H](C)c1ccc(C#N)cc1 118446695 MCQCLUBIUMHCGH-OLZOCXBDSA-N 290.432 3.513 30 20 CHED C=C(C)CNC(=O)c1cc2c(s1)-c1ccccc1OC2 22337072 CSVMWHBQYLMXJN-UHFFFAOYSA-N 285.368 3.613 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(Oc2ccncc2)c1 117007571 GDPVAVGDNPNQOH-ZDUSSCGKSA-N 297.358 3.960 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1(C)CCCCC1 116493939 OLHVAWMSEXGBEA-UHFFFAOYSA-N 271.364 3.711 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(Cl)nc1 112184275 MVAQKFOEYDCXTP-UHFFFAOYSA-N 292.810 3.944 30 20 CHED C=CC1CCN(C(=O)C(C)(C)c2ccccc2C)CC1 171882641 KUGOQNWQVCJVBJ-UHFFFAOYSA-N 271.404 3.697 30 20 CHED Cc1csc(CCNc2nc3ccccc3cc2C#N)n1 70218057 OZICUXJVYCEMKY-UHFFFAOYSA-N 294.383 3.526 30 20 CHED C[C@H](N[C@@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)cc1 118443383 SIYVRLCWNBLQMV-YOEHRIQHSA-N 287.451 3.575 30 20 CHED CCC1(CC)CN(Cc2ccc(F)cc2C#N)CCS1 464575049 MGYNVZJNAYHXCP-UHFFFAOYSA-N 292.423 3.805 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2(c3ccccc3C)CC2)n1 170709299 SISWAFYNPIRTHB-ZDUSSCGKSA-N 296.395 3.668 30 20 CHED C=CC1CCN(C(=O)Nc2cccc3ccc(C)nc23)CC1 114578727 UCZHPKRPYWLMAS-UHFFFAOYSA-N 295.386 3.973 30 20 CHED C[C@@H](CNc1c(C#N)cccc1C#N)Cc1cccs1 302897211 RHPIFLQAQZSMRY-GFCCVEGCSA-N 281.384 3.782 30 20 CHED C=CCN(C(=O)c1cc(Cl)c(Cl)nc1C)C(C)C 311227679 YDORCPXINDVHFB-UHFFFAOYSA-N 287.190 3.733 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCCCc1ccc(C)cc1 69006943 FPJCBSUJRYHZEO-MRXNPFEDSA-N 286.419 3.716 30 20 CHED CC(C)CCSCC(=O)N(CCC#N)CC(C)(C)C 303259171 OYEZLWBYDJHJNQ-UHFFFAOYSA-N 284.469 3.554 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(c2cccc(C#N)n2)C1 301816216 DNIROILQIVHXEN-LRDDRELGSA-N 281.334 3.680 30 20 CHED C[C@H]1CN(c2ccc(C#N)cn2)CC[C@H]1c1ccccc1 301422890 CQOBPCJUQQAQLO-WMLDXEAASA-N 277.371 3.583 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 23359263 KJXYNNDSRSWBHH-LBPRGKRZSA-N 299.757 3.727 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C#N)cs2)s1 176840935 XOUDDDHCEUYEBZ-ONEGZZNKSA-N 259.355 3.886 30 20 CHED C[C@H]1CCC[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 172748022 HZTKENBKHJUDCC-WMLDXEAASA-N 296.414 3.876 30 20 CHED C=CCCCCNc1ccc([N+](=O)[O-])cc1COC 472671998 PPKZGHUXRBMEOR-UHFFFAOYSA-N 264.325 3.509 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2ccnn2CC)cc1 178877444 AEEIPXYFPLUONM-JXMROGBWSA-N 284.359 3.588 30 20 CHED C=CCC[C@H](Nc1nc(COC)ns1)c1ccccc1 178845518 JPECXNXBRLYZML-ZDUSSCGKSA-N 289.404 3.804 30 20 CHED C=CCC[C@@H](NCc1ccc(N2CCCC2)nc1)C1CC1 120083165 GOJUBWWARCMRDA-QGZVFWFLSA-N 285.435 3.516 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCc3sccc3C2)cc1 124281691 UNJJSCKSGDEHDT-ZDUSSCGKSA-N 298.411 3.597 30 20 CHED CCO[C@@H]1C[C@H](N(C)CCCCC#N)C1(CC)CC 177404798 PIVGGGXDDPOBTM-LSDHHAIUSA-N 266.429 3.596 30 20 CHED CC(C)(C)N/C(N)=N/CCc1ccc(-c2ccccc2)cc1 305061707 GLPJVXGTVZEPGP-UHFFFAOYSA-N 295.430 3.599 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C#N)ccc1C 127892646 AWNHYAFUCHOSED-UHFFFAOYSA-N 254.333 3.574 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccc(F)c(C#N)c1 182558595 QXXXAALORAMYHN-GFCCVEGCSA-N 295.317 3.600 30 20 CHED Cc1nc(C)c(C(=O)Nc2sc(C)c(C)c2C#N)s1 36685976 HSEXSXUFCAYQHY-UHFFFAOYSA-N 291.401 3.562 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1C 409745977 JSPHKRLVEPBBQW-NVXWUHKLSA-N 286.419 3.615 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CC=CC1 77734021 SSTCZGVZQYFRPH-UHFFFAOYSA-N 281.808 3.882 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CC[C@H](C(C)C)CC1 509666491 KCTIXNHNVVLOFR-SHTZXODSSA-N 251.414 3.873 30 20 CHED CC[C@@H](C)[C@H](C(=O)N1CCC(C#N)CC1)c1ccccc1 71297964 OSZQDAXRSPPHCQ-PBHICJAKSA-N 284.403 3.578 30 20 CHED CC(C)(NCc1cccc(C#N)c1)c1cccc(F)c1 76902093 RGSQPRUSXRNZFY-UHFFFAOYSA-N 268.335 3.722 30 20 CHED Cc1ccc(N(C)C(=O)c2sccc2C#N)c(C)c1 128111908 WWCSDQOBMWRHRJ-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CC(C)[C@@H](C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 505540654 QOPYVDRQGCLXRW-BXKDBHETSA-N 299.201 3.966 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N[C@@](C)(C#N)C(C)(C)C 410670798 FQXJWKUIIPAHQD-BBRMVZONSA-N 266.429 3.893 30 20 CHED C=C(C)CN(C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 181309967 QDEVZDQWLMYVNB-ZDUSSCGKSA-N 271.364 3.614 30 20 CHED CCN(C(=O)[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 121285491 LFHWBKNHSBUQMX-AWEZNQCLSA-N 278.355 3.715 30 20 CHED Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cn1 121499200 XGPUZDQMYFNCFY-MRXNPFEDSA-N 294.358 3.557 30 20 CHED CCc1ccc(NC(=O)Nc2ccc(F)c(C#N)c2)cc1 38219409 UFZNUPKUEAFKLG-UHFFFAOYSA-N 283.306 3.904 30 20 CHED COc1ccsc1C(=O)/C=C/c1cc(F)cc(F)c1 184771736 JVMXVEXVYGGACG-NSCUHMNNSA-N 280.295 3.931 30 20 CHED N#Cc1cccc(CNC[C@H]2CCCCC(F)(F)C2)c1 491598106 CKFOPKLQVTZGLB-HNNXBMFYSA-N 278.346 3.863 30 20 CHED C[C@@H](C1CC1)n1cc(NCC(C)(C)CCC#N)cn1 189242660 CWZKKBJXSIYAKO-LBPRGKRZSA-N 260.385 3.596 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)CCc1cccc(F)c1 183128052 ZYPLQVGQCMUFQH-KGLIPLIRSA-N 262.372 3.628 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)CC1CCOCC1 414300005 KKHYLDGADFCKPH-APWZRJJASA-N 287.447 3.969 30 20 CHED C[C@H](C1CC1)N(C(=O)Nc1ccc(CC#N)cc1)C1CC1 78045459 SQJUQCAHMPIJDH-GFCCVEGCSA-N 283.375 3.547 30 20 CHED C=C(C)COc1cccc(NC(=O)N(CC)CC2CC2)c1 70052240 YILSFVHHQLSXFW-UHFFFAOYSA-N 288.391 3.905 30 20 CHED N#Cc1c(F)cccc1N1CCSC2(CCC2)CC1 413474347 BJHDZYHQITUDMT-UHFFFAOYSA-N 276.380 3.563 30 20 CHED N#C[C@H](C(=O)CC1CCCCC1)c1nc2ccccc2o1 41547848 JEWSVJJKQLUWDX-CYBMUJFWSA-N 282.343 3.974 30 20 CHED C[C@H](CCNC(=O)c1cccc(F)c1C#N)c1ccccc1 410202920 BAJBCBDYTVASDO-CYBMUJFWSA-N 296.345 3.621 30 20 CHED Cn1cc(CNc2ccc(OC3CCCC3)cc2)cc1C#N 189583905 WWKYJSUWLSBWME-UHFFFAOYSA-N 295.386 3.830 30 20 CHED C=CCC[C@@H](NC(=O)c1cccnc1)c1ccccc1 133837431 DGKDXZSOFNRHMR-MRXNPFEDSA-N 266.344 3.519 30 20 CHED N#Cc1cnc(N[C@H]2CCCc3ccc(F)cc32)c(F)c1 413275983 XZGHISBJXINZLV-HNNXBMFYSA-N 285.297 3.721 30 20 CHED CC(C)(CCC#N)CNCc1ccc(Cl)cc1 135125173 IWKXXKBBUCKHLO-UHFFFAOYSA-N 250.773 3.760 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCc1ccsc1 131325248 QXXNUEGQCLHSNZ-UHFFFAOYSA-N 285.368 3.604 30 20 CHED C[C@H](CC1CCCCC1)C(O)=Nc1nncn1C1CC1 329120011 PNCCUFPUTKTMDM-LLVKDONJSA-N 276.384 3.808 30 20 CHED C=CCCC(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 504850899 FUDGQDWFXQBOMH-AWEZNQCLSA-N 287.407 3.674 30 20 CHED C[C@H](/N=C(/O)N[C@@H]1CCCCC12CCCC2)[C@H]1CCCO1 329634247 SZNOPJAIEWSNBE-RRFJBIMHSA-N 294.439 3.561 30 20 CHED C=CCSCCN[C@@H](C)c1cnn(C(C)(C)C)c1C 191352924 IBNIWDUFVARKCK-LBPRGKRZSA-N 281.469 3.516 30 20 CHED CC[C@@H]1c2ccsc2CCN1C(=O)[C@@](C)(C#N)CC 288570811 KGAJSQUHSARAAY-IUODEOHRSA-N 276.405 3.524 30 20 CHED N#Cc1ncccc1NCCc1cccc(Cl)c1Cl 518849648 SCULMLPESSHNKA-UHFFFAOYSA-N 292.169 3.915 30 20 CHED COc1ccc([C@@H](C)Nc2ncc3c(c2C#N)CCC3)cc1 515834154 URCIRUOSJJLAIR-GFCCVEGCSA-N 293.370 3.624 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 424648691 LYYOGHNDAAQGQT-UGFHNGPFSA-N 290.794 3.847 30 20 CHED C#CCCCCC(=O)Nc1ccc(N2C[C@@H]3CC[C@@H]2C3)cc1 192404218 MBYBXDCLXGYEPC-CRAIPNDOSA-N 296.414 3.807 30 20 CHED COc1cc(Cl)ccc1[C@H](C)NCC(C)(C)CC#N 421853394 IZDURPZGUISLGL-NSHDSACASA-N 280.799 3.939 30 20 CHED CCCC1CCN(Cc2cc(F)ccc2C#N)CC1 229959891 NCHKDHHAANHKOK-UHFFFAOYSA-N 260.356 3.709 30 20 CHED Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)c(Br)c1 381538884 GVSQGONGUNSFQX-MNOVXSKESA-N 279.181 3.862 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 333222726 MORZOBGBVNWICV-NVXWUHKLSA-N 295.386 3.519 30 20 CHED COc1cc(C)ccc1N/C(O)=N/[C@@H]1CC[C@H](C)C1 331266766 CQLOBRYFXSHJIM-CMPLNLGQSA-N 262.353 3.518 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C(=N)O)c2ccccc21 332685500 OJGJSIPWEVUCLF-GXTWGEPZSA-N 286.375 3.644 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331306064 VIUDYZGXHISWKL-BXKDBHETSA-N 291.351 3.726 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(F)c(C#N)c2)C1 336069096 NLEKEPDMVKQPMY-ACJLOTCBSA-N 295.361 3.675 30 20 CHED Cc1oc(C#N)cc1C(=O)NC1CC(C)(C)CC(C)(C)C1 436051798 MZGOUQKYIRHAGQ-UHFFFAOYSA-N 288.391 3.794 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#N)cs1 437572585 YHHDFEULQGNDPV-KBPBESRZSA-N 290.432 3.954 30 20 CHED C=C(C)CN(C)C/C(C)=C\c1ccccc1COC 512212192 KISZKWZERZZBCJ-GDNBJRDFSA-N 259.393 3.744 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[C@H]1c1ccccc12 338490886 SSWBQXYAUSBXIY-DKSSEZFCSA-N 299.414 3.676 30 20 CHED CC(C)(NCc1ccc(C#N)s1)c1ccccc1 267160738 FSVOUBUOLAJSGQ-UHFFFAOYSA-N 256.374 3.645 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(CC#N)cc2)C1 330469480 BWGJWXPZGXKFKI-IRXDYDNUSA-N 284.403 3.697 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@@H](C)CC(C)(C)C1 432582045 ZXGGVXBAJCPEBS-ZDUSSCGKSA-N 266.429 3.666 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1nccc2ccc(F)cc12 435598812 SVRGUQXOQSFNMA-BBRMVZONSA-N 286.350 3.767 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Br)cc1O 525957041 KLBVZYRXAKXFLI-CYBMUJFWSA-N 298.180 3.696 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 341715798 WQFPVOHRSLFJBG-BLLLJJGKSA-N 256.393 3.960 30 20 CHED C=CCSc1ccccc1C(=O)N1CC(C2CCC2)C1 341313024 RXBLSFULEIQDHX-UHFFFAOYSA-N 287.428 3.837 30 20 CHED N#CCC1(CN[C@H]2CCCC[C@H]2c2ccccc2)CC1 430742529 MHLUHDTXUFERDD-IRXDYDNUSA-N 268.404 3.996 30 20 CHED N#Cc1ccnc(N2CC=C(c3cccc(Cl)c3)CC2)c1 343031848 CGBKHPCXUDLFAI-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C[C@@H](Sc1cc(C#N)ccn1)c1cccc(F)c1 340598809 AEJRHEOWSPYJBB-SNVBAGLBSA-N 258.321 3.946 30 20 CHED Cc1ncc([C@H](C)Nc2ncc(Cl)c(C)c2C#N)s1 601228580 PCACBABDKFUHPH-QMMMGPOBSA-N 292.795 3.853 30 20 CHED C=CCn1c(SCCC2CC2)nnc1-c1ccco1 340665840 CMYASBXHNKBKHO-UHFFFAOYSA-N 275.377 3.616 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnn(-c2ccccc2)c1 343328021 CEBCFWOKBZMWHS-AWEZNQCLSA-N 298.390 3.739 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(-c2cnco2)c1 528063361 HYWSJFNCZSWCIP-UHFFFAOYSA-N 283.331 3.610 30 20 CHED N#Cc1cc(Cl)ccc1S[C@@H]1CC[C@H](C#N)C1 601912143 JDJQAHQQMQSSAJ-JOYOIKCWSA-N 262.765 3.996 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H](C)c1ccco1 602314383 ZXSTVWCBSFVVLQ-CYBMUJFWSA-N 276.380 3.704 30 20 CHED CC(C)(CCC#N)CNC(=O)c1csc2c1CCCC2 345915705 VMAWZTJLMKGGLA-UHFFFAOYSA-N 290.432 3.687 30 20 CHED C/C(=C/c1ccccc1)CN(C)C[C@H](C)CCC#N 602632012 BLHYNDVHJMKRPE-WMJYUBJYSA-N 256.393 3.962 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccnc1Oc1ccccc1 604905428 UDKWPFZCDLIBNN-ZDUSSCGKSA-N 297.358 3.960 30 20 CHED CC(C)(C)OC(=O)CCSCc1ccccc1C#N 440583770 TXKXKXMPVCQNNB-UHFFFAOYSA-N 277.389 3.523 30 20 CHED CNC(=O)c1ccc(/C=C\C(=O)c2cc(C)cc(C)c2)cc1 255055120 VITYJNPBIJXEBB-TWGQIWQCSA-N 293.366 3.559 30 20 CHED COC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 522663100 VKMDRFUOTLMTCT-UHFFFAOYSA-N 287.702 3.791 30 20 CHED C[C@H](CCC#N)CNCc1ccsc1Br 602659760 WSGGWQZCLYBIGU-SECBINFHSA-N 287.226 3.540 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Nc2ncccn2)cc1 444612225 IDDSCDIGWYOMCJ-KRWDZBQOSA-N 296.374 3.761 30 20 CHED C=CCC[C@H](NS(=O)(=O)CC(C)(C)C)c1ccccc1 443023324 XKFHGILMNUMQCG-HNNXBMFYSA-N 295.448 3.659 30 20 CHED C=CCN(C(=O)Nc1c(F)ccc(OCC)c1F)C1CC1 357757687 TVZCPXDKCATEOK-UHFFFAOYSA-N 296.317 3.546 30 20 CHED CCOc1ccc(O)c(CN[C@@H](C)c2ccc(C#N)cc2)c1 263703865 RTJOOXGQWIXTPL-ZDUSSCGKSA-N 296.370 3.513 30 20 CHED C=C(C)CCN[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 351754500 BYUZAPXNXCBLHD-QGZVFWFLSA-N 289.419 3.934 30 20 CHED C=CCC[C@@H](N[C@H]1CCCSC1)c1ccco1 353519938 NYHYWLGXLCCJJU-QWHCGFSZSA-N 251.395 3.772 30 20 CHED Cc1ccc(C)n1C1CCN(Cc2ccc(C#N)s2)CC1 352921546 JHFGONRKSYVOPJ-UHFFFAOYSA-N 299.443 3.875 30 20 CHED C[C@H](NCc1ccnn1C1CCCC1)c1ccc(C#N)cc1 449070501 CYFYWXLPWMSZCO-AWEZNQCLSA-N 294.402 3.721 30 20 CHED N#Cc1ccc(CNC2(Cc3cccc(Cl)c3)CC2)o1 449678392 PKPIVLPRRTZYQT-UHFFFAOYSA-N 286.762 3.670 30 20 CHED CC1(C)CN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1C1CC1 359290067 MLCSVVDMSXGOAX-FUHWJXTLSA-N 296.414 3.721 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 266145432 MIULVSKCPGJDNG-IUODEOHRSA-N 293.794 3.595 30 20 CHED CC(C)(CCC#N)CNC[C@H](O)c1ccc2ccccc2c1 266247124 ZAGZUKVGZPTYKF-SFHVURJKSA-N 296.414 3.793 30 20 CHED C[C@@H](Cc1coc2ccccc12)NCCCCC#N 449133829 ZVFFLLYPXBUTME-ZDUSSCGKSA-N 256.349 3.647 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](c1ccco1)N1CCCCC1 531948099 YLWMOVABUHCWDW-BBWFWOEESA-N 290.451 3.997 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)n([C@H](C)CC)n2)C1 617781107 FDZDRQRJPNFKFS-HIFRSBDPSA-N 289.423 3.591 30 20 CHED CC[C@H](C)n1ncc(NCc2cc(C#N)cs2)c1C 359812034 XPFQFHQJRITWAR-JTQLQIEISA-N 274.393 3.708 30 20 CHED C[C@H]1CCC[C@H]1NCCSCc1ccccc1C#N 531785380 IBBVKYIPISIOQY-XJKSGUPXSA-N 274.433 3.570 30 20 CHED C[C@]1(C#N)CCCN([C@H]2CCc3c(Cl)cccc32)C1 612163118 OBTXORJSERBLSF-JKSUJKDBSA-N 274.795 3.953 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccc(F)c(F)c2)CC1 354312668 PUKQCTFVTLCYAD-UHFFFAOYSA-N 279.330 3.670 30 20 CHED COc1cccc(CC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 619673775 NJCFPCPSNXHGFC-MSOLQXFVSA-N 298.430 3.642 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccnc3ccccc23)C1 617788321 GLAYPWMKZZNXIH-AWEZNQCLSA-N 280.371 3.663 30 20 CHED Cc1cn(Cc2coc(-c3cccc(F)c3)n2)cc1C#N 531831607 PJWJIBHESPXIQI-UHFFFAOYSA-N 281.290 3.511 30 20 CHED N#C[C@@]1(F)CCN(C(c2ccccc2)c2ccccc2)C1 619781824 SBBKCVNGHRXRJL-SFHVURJKSA-N 280.346 3.714 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cn(C)c2ccccc12 539435926 ZMUBYRJWNXUCQU-CYBMUJFWSA-N 270.376 3.653 30 20 CHED C[C@H](C#N)CN(C)[C@H](C)CCSc1ccccc1 269266702 HCQCNBDZBMWMIB-ZIAGYGMSSA-N 262.422 3.649 30 20 CHED C=CCC1(NC(=O)N[C@@H]2CCOC(C)(C)C2)CCCCC1 458599552 MTUFOJZDXDSJOH-CQSZACIVSA-N 294.439 3.522 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CC[C@H](C)c1ccccc1 611002715 DQENHQZUXWYXBR-HOCLYGCPSA-N 272.392 3.625 30 20 CHED C=C1CCN(C(=O)[C@H](CC)O[C@H]2CCC[C@@H](C)C2)CC1 361822493 JCQIARORWJEEHI-PMPSAXMXSA-N 279.424 3.539 30 20 CHED CC(C)(C#N)CNC(=O)Cc1ccc(-c2ccccc2)cc1 611694310 JQVCKLAUPHTUKE-UHFFFAOYSA-N 292.382 3.562 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 454329098 TTYGURONKRPJDR-AWEZNQCLSA-N 290.407 3.800 30 20 CHED C=CCCC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 368756790 JKWJCQAEDKHZDJ-CYBMUJFWSA-N 297.320 3.988 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1scnc1C(C)C 450421052 DEIQTQVIAKOQTK-LLVKDONJSA-N 266.410 3.741 30 20 CHED Cc1sc(NC(=O)CC(C)(C)C#N)nc1-c1ccccc1 618624920 XBBRFRBMMDMZMC-UHFFFAOYSA-N 299.399 3.997 30 20 CHED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1c(F)cccc1F 274239264 VMJSNJYRWHCENV-SRVKXCTJSA-N 264.319 3.698 30 20 CHED C=CCC1(CNC(=O)N[C@H](C)CC(F)(F)F)CCCC1 454807583 WWGKFGIBQOEDRX-LLVKDONJSA-N 292.345 3.763 30 20 CHED C[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 452686389 RUACEGJOUOBUOL-NSHDSACASA-N 286.375 3.720 30 20 CHED C=CCC1(C(=O)Nc2cc(C)c(C)c(C(=O)O)c2)CCC1 450510975 OZVZFSSOWDUFAF-UHFFFAOYSA-N 287.359 3.687 30 20 CHED C=C(C)CN(Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 548944640 DYYVMJKSQHSSSD-AWEZNQCLSA-N 289.419 3.880 30 20 CHED Cc1cc(CNCc2cc3ccccc3o2)ccc1C#N 618191281 CMLXOJRSXHTCIL-UHFFFAOYSA-N 276.339 3.903 30 20 CHED N#CC1(CN(Cc2ccc(F)cc2F)C2CC2)CCC1 450272290 WSZOTEFAPQZLJR-UHFFFAOYSA-N 276.330 3.623 30 20 CHED C=CC(C)(C)c1nc(Cc2ccccc2OC(F)F)no1 453072347 RIPMRDFJIUBLMZ-UHFFFAOYSA-N 294.301 3.725 30 20 CHED C=CCN(CCc1ccco1)Cc1csc(CC)n1 272219011 BSUNFZWPHASMCF-UHFFFAOYSA-N 276.405 3.529 30 20 CHED CC#CCN(C)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 457843633 BLPOOAMCOVKJRE-OAHLLOKOSA-N 290.382 3.578 30 20 CHED Cc1nc(CSCCC(C)(C)C#N)sc1C 276548539 AEVHCMIKEZVPPT-UHFFFAOYSA-N 254.424 3.933 30 20 CHED CCC1(CNC(=O)c2ccc(C#N)cc2)CCCCC1 545833666 BIZVRVVYEJYHRN-UHFFFAOYSA-N 270.376 3.649 30 20 CHED C=CCCN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273375266 CIQJKQWGFITELF-CVEARBPZSA-N 263.356 3.554 30 20 CHED C=CCC[C@@H](NC[C@H]1CCCCN(C)C1)c1ccco1 624123434 LUKDRFCSYKMBEW-HZPDHXFCSA-N 276.424 3.608 30 20 CHED N#Cc1cccc(C(=O)NCCCCC2CCCC2)c1 464569554 YELFRIVOVAOVIR-UHFFFAOYSA-N 270.376 3.649 30 20 CHED CN(Cc1ccccc1C(F)(F)F)[C@H]1CC[C@@H](C#N)C1 278564449 ISHQVBDDOXBNSH-YPMHNXCESA-N 282.309 3.829 30 20 CHED N#Cc1nn(Cc2ccccc2Cl)c2ccccc12 542337148 FBXSSBQAMOXTMQ-UHFFFAOYSA-N 267.719 3.610 30 20 CHED C=CC[C@@H](CC)N[C@H](CCOC)Cc1cccc(F)c1 467417299 KIDNTCSGCOKHJN-IAGOWNOFSA-N 279.399 3.718 30 20 CHED C=CCOc1ccccc1CNC(=O)C1(CCC)CCC1 469268718 VIQXADQOJKLBDT-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccccc1Cl 466391199 WPOLMNGBNPWCQV-CYBMUJFWSA-N 280.799 3.836 30 20 CHED C=CC[C@@H](CC)Nc1ccc(Br)cn1 379603854 OMLGBPZDRJSWEF-SNVBAGLBSA-N 255.159 3.611 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCN(C2CC2)c2ccccc21 467887016 ATIZEOQWEDAQQR-GOSISDBHSA-N 284.403 3.604 30 20 CHED C=CCCCN1CCC(n2c(C)nc3ccccc32)CC1 280269797 QWAKQDXMVBWLCS-UHFFFAOYSA-N 283.419 3.948 30 20 CHED C=CCC[C@H](NC[C@](C)(OC)C1CC1)c1ccco1 462815411 CZALBZXBIPQABK-HOCLYGCPSA-N 263.381 3.692 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2cc(F)ccc2C)no1 289982162 DLFCDEMWVFVLOM-MRXNPFEDSA-N 290.338 3.664 30 20 CHED CC#CCCOc1cccc(-c2nc(C)cs2)c1 462352032 KJHCZFCYXPMTHT-UHFFFAOYSA-N 257.358 3.911 30 20 CHED C=CCC[C@H](NC[C@@H](C)CN1CCCC1)c1ccco1 556863284 XDTMNMROXVMDLT-CVEARBPZSA-N 276.424 3.608 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H]1CCCCC12CCCC2 462970005 RCKYCTDGFHWISE-HUUCEWRRSA-N 279.424 3.587 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC3(CC2)CC3)cc1 373536225 HNPDUJNRIWIZTK-UHFFFAOYSA-N 282.387 3.504 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1sccc1Cl 556970097 VENBPIMRTDQLSL-UHFFFAOYSA-N 295.791 3.865 30 20 CHED C[C@@H](NCC1CCC(C#N)CC1)c1cc(F)ccc1F 282483733 TULGZSMTBZAVOF-PNESKVBLSA-N 278.346 3.945 30 20 CHED CC[C@H](C#N)NC(=O)c1oc2c(ccc3ccccc32)c1C 464101184 LUJDRLNVRULVFL-CYBMUJFWSA-N 292.338 3.926 30 20 CHED C[C@H](CNc1ncc(C#N)cc1Cl)Cc1cccs1 462894459 HWTGZSUESJEEQL-JTQLQIEISA-N 291.807 3.959 30 20 CHED C=CCC1(c2nc(COC3CCC3)no2)CCCC1 634670866 JJHRKUOFICFROF-UHFFFAOYSA-N 262.353 3.527 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@]1(C)CC=CCC1 460047684 MURDZFWZGMWUPT-QGZVFWFLSA-N 284.359 3.642 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc(C(C)C)oc1C 286027127 JPXLHQLINXVWSE-UHFFFAOYSA-N 297.354 3.976 30 20 CHED CC(C)C[C@@H](NC(=O)CCCC#N)c1ccccc1 290893234 DDBUJLLSFANQCG-OAHLLOKOSA-N 258.365 3.584 30 20 CHED CCC[C@H](CC)SC[C@H](O)COc1ccc(C#N)cc1 477056213 KFKFWHUHBUKNHF-ZBFHGGJFSA-N 293.432 3.610 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cn2ccccc2n1 470907698 USNHVECWIMOMKQ-UHFFFAOYSA-N 291.398 3.913 30 20 CHED N#C[C@@]1(C(=O)Oc2ccccc2Cl)CC12CCCC2 297408678 CRFQUYSWUJHLSZ-OAHLLOKOSA-N 275.735 3.719 30 20 CHED CC(C)[C@@H](CN1CCC(C#N)CC1)c1ccccc1 474257162 GUQOQGBGHVGCBC-QGZVFWFLSA-N 256.393 3.662 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)c(OC)c1 290575927 UDORVHVMHVJKKO-KRWDZBQOSA-N 295.386 3.545 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(OCC)c(Cl)c1 806216619 UOVQLPQLXRHDQY-NSHDSACASA-N 294.782 3.662 30 20 CHED C=CCCCCNC(=O)CCC(=O)c1ccc(Cl)cc1 472711085 WLAUUVBJRGLHJY-UHFFFAOYSA-N 293.794 3.775 30 20 CHED CC(C)Oc1ccc(N[C@@H]2CC[C@H]2C2CC2)cc1C#N 809635576 IHTUNRPHFYMSJD-JKSUJKDBSA-N 270.376 3.946 30 20 CHED C=CCCCCNC(=O)NCCCc1c[nH]c2ccccc12 472840113 UDGGXDNCRKIFSS-UHFFFAOYSA-N 299.418 3.756 30 20 CHED C=CCOCCCN1CC[C@H](C)[C@@H]1c1cccc(F)c1 470778387 DNOHHOJRIGWZCS-WMLDXEAASA-N 277.383 3.801 30 20 CHED C=C(C)Cn1c(N2Cc3ccccc3C2)nnc1C(C)(C)C 293127651 VTAGDDDKEGEKHK-UHFFFAOYSA-N 296.418 3.672 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@@H]1C(C)C 807570127 OEBBNDHCHVXXOC-CQSZACIVSA-N 252.402 3.563 30 20 CHED CC[C@@](C)(C#N)C(=O)OC[C@H](OC)c1ccc(Cl)cc1 803786562 INUHBVMLTOLECY-ZFWWWQNUSA-N 295.766 3.511 30 20 CHED CC(C)n1ccnc1SCCOc1ccccc1C#N 299044648 KIYNBPPWZUJANK-UHFFFAOYSA-N 287.388 3.507 30 20 CHED C=CCOCCN1CC=C(c2cc(C)cc(C)c2)CC1 566384577 ONMABBYYBNKBDU-UHFFFAOYSA-N 271.404 3.595 30 20 CHED O=C1/C(=C\c2ccsc2)C[C@H](C(=O)O)c2ccccc21 806560460 MDBCKQYVXIZHJU-JOHMGYAOSA-N 284.336 3.586 30 20 CHED C=CCCCCCCNc1ccc(-n2ccc(C)n2)nn1 804851192 NMEASXOZPARKAO-UHFFFAOYSA-N 285.395 3.519 30 20 CHED COc1cc([C@H](C)N[C@H](CCC#N)c2ccccc2)ccn1 565217128 GSLRCWAINCKULP-WMLDXEAASA-N 295.386 3.786 30 20 CHED C=CCC[C@@H](CC)N[C@H](CN(C)C)c1ccc(F)cc1 562056254 QBECJXZXCDLNRC-IAGOWNOFSA-N 278.415 3.763 30 20 CHED CC[C@@H](Sc1ccc(C#N)cc1F)C(=O)OC(C)(C)C 478730887 NTDOWXLPYAFDNC-GFCCVEGCSA-N 295.379 3.910 30 20 CHED COc1cccc(C2CCN([C@@H](C)CCC#N)CC2)c1 297728764 BWHBUEOVDDLGJG-AWEZNQCLSA-N 272.392 3.567 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cccc(Cl)c1Cl 803783607 AONVQWMAWJQIOD-ZDUSSCGKSA-N 286.158 3.976 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H]1c1cc(C)ccc1C 474236780 XOACUGIQDJPYHV-SJLPKXTDSA-N 273.420 3.767 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C\c2cn(C)cn2)cc1 800792711 WLURINLBIPZLCX-HJWRWDBZSA-N 268.360 3.515 30 20 CHED N#CCc1ccc(COc2cccc3cccnc23)cc1 399119453 HIPSHMNCSPVTHE-UHFFFAOYSA-N 274.323 3.880 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1cc2cccc(Cl)c2s1 566268316 SKRABCDPDZTLSC-NSHDSACASA-N 292.791 3.833 30 20 CHED C=CCC(C)(C)c1noc(CCc2cccs2)n1 560026287 GNUSZRNTCASSRP-UHFFFAOYSA-N 262.378 3.770 30 20 CHED CCc1oc2ccccc2c1C=NNC[C@@H]1CCSC1 811657847 DVLAPFFTKZYQMX-LBPRGKRZSA-N 288.416 3.672 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)c1ccccc1OCC 488376210 FBKPYLZQJSVWNB-AWEZNQCLSA-N 298.386 3.564 30 20 CHED C#CCCn1ccc(=O)c2cc(Oc3ccccc3)ccc21 810001927 OQMKTDPTELSAIL-UHFFFAOYSA-N 289.334 3.817 30 20 CHED C#CCCCCc1nc(C2(c3cccc(C)c3)CC2)no1 810328955 JMCKVQWELDQGGE-UHFFFAOYSA-N 280.371 3.804 30 20 CHED CCC(=NNCC(F)(F)F)c1ccccc1OC(F)F 814904637 SHRDLJJWWVDRTL-UHFFFAOYSA-N 296.239 3.554 30 20 CHED C#CCOc1ccc([C@H](C)NC2(C(C)C)CC2)cc1 815647376 IOACKGUSYLYPGX-AWEZNQCLSA-N 257.377 3.538 30 20 CHED C=CCOCCN(CC)Cc1ccc(C(F)(F)F)cc1 815026877 WBVPJOOTHPRTNW-UHFFFAOYSA-N 287.325 3.730 30 20 CHED C=CCC1(NCc2ccc(F)cc2Cl)CCOCC1 657632915 BYIUMMWMDROANB-UHFFFAOYSA-N 283.774 3.694 30 20 CHED COC1(CN(Cc2ccc(C#N)cc2)C2CC2)CCCCC1 483168576 MQCDDVCQTVFPBT-UHFFFAOYSA-N 298.430 3.872 30 20 CHED CC(C)Cc1ccccc1C(=O)N[C@@H](C#N)C(C)(C)C 813283717 BCJCNPOWDXZRQM-HNNXBMFYSA-N 272.392 3.553 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1csc(C)n1 812379491 WMIOJSLBCVCQEW-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C=CCC(F)(F)C(=O)NCC1(Cc2ccccc2)CCC1 815784529 FODRWTUIJCSVBE-UHFFFAOYSA-N 293.357 3.727 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@H](C)C1CCC1)c1ccccc1 489627619 XJFDDXCPKNTMDU-RHSMWYFYSA-N 271.404 3.993 30 20 CHED Cc1ccccc1CN(c1ccc(C#N)c(C)n1)C1CC1 488072913 GJANFKBEKBALRY-UHFFFAOYSA-N 277.371 3.739 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccsc1C 814823132 RSLJQMUCXBJCJU-UHFFFAOYSA-N 275.333 3.719 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2Cc1cc(C(=O)O)ccc1Cl 659802298 SBMHIWCMJCQYEP-OKILXGFUSA-N 291.778 3.721 30 20 CHED C=CCCCCOC(=O)c1cnc([C@@H](C)OCC)s1 811013064 INWIZCXFXYVXGI-LLVKDONJSA-N 283.393 3.754 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(C2=CCCC2)cc1 810623523 CZVXYYBSVGGAES-OAHLLOKOSA-N 255.317 3.713 30 20 CHED C=CCC(F)(F)C(=O)OCc1cnc(C(C)(C)C)s1 816051816 HNFUVKVBMQWOEH-UHFFFAOYSA-N 289.347 3.695 30 20 CHED C=Cc1ccc(CCNCc2ccc(OC)c(C#N)c2)cc1 812772510 FYTLNCGZLCUWNK-UHFFFAOYSA-N 292.382 3.542 30 20 CHED Cc1cc(C)cc(NN=C2CCc3ccc(C#N)cc32)c1 811634279 JMDNWCSDBJGULR-UHFFFAOYSA-N 275.355 3.938 30 20 CHED COc1cc(C(C)=NOC2CCC2)ccc1SC 812238265 QJFXCECDLDQLII-UHFFFAOYSA-N 265.378 3.710 30 20 CHED S=C(NN=C1CC[C@@H]1C1CCC1)Nc1ccccc1 814714163 UDCDMSIJMBOZNA-CYBMUJFWSA-N 273.405 3.539 30 20 CHED CCCCCCCc1nc(CCC(C)(C)[N+](=O)[O-])no1 812813816 OAOKEDAEOKUHEL-UHFFFAOYSA-N 283.372 3.570 30 20 CHED CC(=NNC[C@H]1CCSC1)[C@@H](C)c1ccccc1 811660185 IMGBHUUYZFZBPH-TZMCWYRMSA-N 262.422 3.509 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(SC)c(OC)c1 489446766 JANXAZWRFZNCJK-AWEZNQCLSA-N 277.433 3.958 30 20 CHED Cc1cccc(NN=C2CCc3cccnc3CC2)c1 817322217 NMFMRIPIHCZSQG-UHFFFAOYSA-N 265.360 3.737 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)cc1 726876026 CMVBHBWMHRFJQR-FPLPWBNLSA-N 295.169 3.931 30 20 CHED Cc1csc(NC(=O)[C@H]2CC23CCCCC3)c1C#N 577678274 NZTZIWWGBRSDNK-GFCCVEGCSA-N 274.389 3.837 30 20 CHED C=CCCOC(=O)c1occc1COc1ccccc1 729072579 OULHWPHQQMARBH-UHFFFAOYSA-N 272.300 3.592 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)ccc1F 729150424 NPUFUGCZRWXVIN-WEVVVXLNSA-N 298.313 3.657 30 20 CHED CCOc1c(Cl)cc(C=NNC2CCCC2)cc1OC 727652490 PPKXXDGFOMWVFD-UHFFFAOYSA-N 296.798 3.613 30 20 CHED COc1cccc(CCCN2CCC(CCC#N)CC2)c1 577219263 YTSBTWMYVMZTAE-UHFFFAOYSA-N 286.419 3.644 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)N2CCC(CCC#N)CC2)C1 573115083 IHLKTAMEWLYGTJ-GOEBONIOSA-N 291.439 3.538 30 20 CHED C[C@@H](OC(=O)C=C(C1CC1)C1CC1)c1cccc(C#N)c1 727636256 SKUVKVTUNBHKNL-GFCCVEGCSA-N 281.355 3.909 30 20 CHED C=CCCCC[C@H](C)NC[C@@](C)(O)c1ccccc1 823875488 CEJUKLSHLHOOLU-DOTOQJQBSA-N 261.409 3.619 30 20 CHED COc1cccc(NN=C(C)c2ccccc2C)c1 725853533 UQDRWVPWCUSWBP-UHFFFAOYSA-N 254.333 3.840 30 20 CHED CC(C)c1ocnc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 824107391 GRHRXMUWXQSEBO-LBPRGKRZSA-N 297.358 3.503 30 20 CHED CC(=NNc1ccccc1F)c1sc(C)nc1C 726737244 MIERIBMEVPISAR-UHFFFAOYSA-N 263.341 3.735 30 20 CHED C#CCN(CC)C(=O)N[C@@H](CCCCC)c1ccccc1 728137426 TYYKEECDCKXOOS-KRWDZBQOSA-N 286.419 3.973 30 20 CHED N#CCCCCCC(=O)Nc1ccc(C2CC2)cc1 588162936 UAXGROSQHSWZTG-UHFFFAOYSA-N 256.349 3.977 30 20 CHED N#Cc1ccc(N2CCCn3c(cc4ccccc43)C2)cc1 581629032 BQRUJKARSVYYSM-UHFFFAOYSA-N 287.366 3.923 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cn(C(C)(C)C)nn2)cc1C 588579896 XBRBIGLWWGXZOA-FPLPWBNLSA-N 297.402 3.854 30 20 CHED Cc1cccc(C(C)(C)CNC(=O)c2ccc(C#N)cc2)c1 498847195 VSJRFUVWHPCRFE-UHFFFAOYSA-N 292.382 3.574 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2cncs2)cc1 735793231 UYTCHTWMHCZBAW-VMPITWQZSA-N 273.357 3.826 30 20 CHED CC(C)CN(Cc1ccc(OCC#N)cc1)C1CCCC1 731212097 RXFHDYZTBHZLOC-UHFFFAOYSA-N 286.419 3.990 30 20 CHED Cc1cc(C)cc([C@@H](C)/N=C/c2ccc(O)c(O)c2O)c1 730434104 FWMSQLDRJJHAOV-KBSHCFNASA-N 285.343 3.600 30 20 CHED C[C@@H](C/N=C\c1cc(Cl)ccc1O)c1nccs1 588435283 OHGYHOATVGCGOL-AVPSXBMNSA-N 280.780 3.725 30 20 CHED Cc1cccc(C=NNCc2cc(F)ccc2F)c1C 731151625 MVVCWOTUBMQJOD-UHFFFAOYSA-N 274.314 3.705 30 20 CHED CC(C)CC=NNc1nc(-c2ccc(Cl)cc2)no1 732925461 MDBJDWDLSKJLAZ-UHFFFAOYSA-N 278.743 3.834 30 20 CHED CCCC[C@H](C)N(C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 589648475 ORHKCLZESQNBLA-SUMWQHHRSA-N 299.418 3.766 30 20 CHED N#CC1(CCOC(=O)C2CC3(CCC3)C2)CCCCC1 830623026 VXKFQOMCSOSCNX-UHFFFAOYSA-N 275.392 3.974 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(Cl)c1 839060841 YXYKDXVVANZWOI-NWDGAFQWSA-N 277.751 3.888 30 20 CHED CSCC1CCC(=NNc2ccc(C)cn2)CC1 834953907 FYEUFCWGKXYRTK-UHFFFAOYSA-N 263.410 3.711 30 20 CHED COc1cccc(NN=Cc2ccc([C@H]3C[C@H]3C)o2)c1 732766510 SKAPJZHCMNVBOP-ABAIWWIYSA-N 270.332 3.858 30 20 CHED C#CCC[C@H](C)OC(=O)c1cnn([C@H](C)CC)c1C1CC1 839038774 ZDWUDXWHGALATG-OLZOCXBDSA-N 288.391 3.690 30 20 CHED O=C(C#CC1CC1)Nc1ccc(CCC(F)(F)F)cc1 837459218 MUZAXJDZJMYTLC-UHFFFAOYSA-N 281.277 3.533 30 20 CHED C=CC[C@H]1CCCN([C@H](C)c2nc(C(C)C)no2)C1 661379187 VNMVRWMIAFDWKN-OLZOCXBDSA-N 263.385 3.542 30 20 CHED CN(C(=O)/C=C\C1CCCCC1)c1cccc(C#N)c1 735432517 KKBCXWVOLISJGY-KHPPLWFESA-N 268.360 3.658 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(C)ccc1C(F)(F)F 667942758 QNNWNBAIKCAONF-SECBINFHSA-N 272.270 3.710 30 20 CHED CC(C)c1ccc(C=NNc2ccc(F)cn2)cc1 731318626 JOVRTCRQLTVUNW-UHFFFAOYSA-N 257.312 3.790 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2Cc3cccc(F)c3C2)cc1 839184633 WGFXPEJSZWIJHH-ZDUSSCGKSA-N 296.345 3.632 30 20 CHED C[C@H](C#N)OCCN1CC2(CCCCC2)[C@H]1c1ccccc1 839184726 NPJYFTVEARFFAS-SJLPKXTDSA-N 298.430 3.922 30 20 CHED C=CCN(C(=O)c1sccc1SC)C(C)C 730473617 LGTJCBSSYDTCGO-UHFFFAOYSA-N 255.408 3.507 30 20 CHED C=CCN(C(=O)c1ccc(CCCC)cc1)C1CC1 678496589 WMZGHHJFXCXXAB-UHFFFAOYSA-N 257.377 3.820 30 20 CHED C[C@@H]1CCN(C)c2ccccc2N1C(=O)CCCCCC#N 588932367 GRDQBACRMIXJDL-OAHLLOKOSA-N 299.418 3.722 30 20 CHED C[C@H](NN=C1CCOc2ccc(F)cc21)c1ccccc1 731558072 IPDOXQNUHVHAOX-LBPRGKRZSA-N 284.334 3.663 30 20 CHED C=CCOC(=O)c1c(F)ccc(SCC2CC2)c1F 838147157 WSGFCNWTNDEYPZ-UHFFFAOYSA-N 284.327 3.810 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1nc(C(F)(F)F)cs1)OC 834963641 GAYVRKSJVSMIIH-HTQZYQBOSA-N 295.330 3.621 30 20 CHED COCCOc1ccc(C=NNc2cc(C)cc(C)c2)cc1 730462735 ONGJJQWKBVSRBI-UHFFFAOYSA-N 298.386 3.775 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccccc2OC(F)F)C1 839060352 ZRICHRCZCPBJFE-QWRGUYRKSA-N 295.285 3.527 30 20 CHED N#CCCCOC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 914908992 QCNXSMCKPTYLTQ-UHFFFAOYSA-N 296.370 3.897 30 20 CHED C[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 593998570 MBNYFZKEPGDQJA-OWCLPIDISA-N 298.430 3.631 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1ccco1 917552148 CDIFKSAHLZWKTI-UHFFFAOYSA-N 254.333 3.995 30 20 CHED Cc1cccc(C(=O)/C=C\c2cccc3c2OCO3)c1 915984922 NTWDNMBGISPESA-HJWRWDBZSA-N 266.296 3.620 30 20 CHED COC(=O)c1ccc(/C=C2/CCCc3ccccc3C2=O)o1 749454249 ZYOUBBYQXMPNFT-QBFSEMIESA-N 296.322 3.669 30 20 CHED C=CCC[C@@H](O)CN1CCCC[C@@H]1c1ccccc1OC 675495213 COHVLSNXKXEWDD-NVXWUHKLSA-N 289.419 3.549 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(-c2ncco2)cc1F 840578990 KDNHTHXZOHSZAX-UHFFFAOYSA-N 289.306 3.736 30 20 CHED CCC(=NNc1nccnc1C(C)C)[C@H]1CC1(C)C 841636715 XHBWMSNZLABMRP-LLVKDONJSA-N 260.385 3.824 30 20 CHED C=C(C)CN(C)C(=O)NCc1c(Cl)cccc1Cl 679287880 ANFVRGBEAJEZPM-UHFFFAOYSA-N 287.190 3.711 30 20 CHED COc1ccc(NN=C(C)[C@@H]2C[C@H]2c2cccs2)nc1 841636896 CZNDPOXYUMQMRL-QWHCGFSZSA-N 287.388 3.743 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1ccc(Cl)nc1 840748171 DHZJZJOHKHKFFB-UHFFFAOYSA-N 283.828 3.624 30 20 CHED Cc1cc(/C=C2/C[C@@H](C)c3ccccc3C2=O)n(C)n1 841484790 BYSJAFSCMURXCN-COVOJHCQSA-N 266.344 3.502 30 20 CHED CC(=NOCc1cccnc1)[C@@H]1C[C@H]1c1cccs1 841633582 QAMKYWLGJPHTLF-UONOGXRCSA-N 272.373 3.839 30 20 CHED C=CCN(C(=O)[C@@H](C)c1cccc(Cl)c1)C(C)C 741900307 XQCVKJXKXXXCNC-LBPRGKRZSA-N 265.784 3.867 30 20 CHED Clc1cccnc1NN=CC1=Cc2ccccc2OC1 917546524 PGLNWUSLQSFEQV-UHFFFAOYSA-N 285.734 3.609 30 20 CHED Cc1cc(NN=C2c3cccc(F)c3CC[C@H]2C)nc(C)n1 748249465 YZRVAINWRKBHNK-SNVBAGLBSA-N 298.365 3.631 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccco1 842940532 GBYWXSSASSTVQC-ONGXEEELSA-N 286.356 3.593 30 20 CHED C[C@@H](C#N)OCCOc1ccc(C2CC2)cc1Cl 842060854 USJUCHHAFLJDCH-JTQLQIEISA-N 265.740 3.525 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC[C@@H](Nc2ccccc2)C1 595383892 PZFMBNNLEHRDFH-MOPGFXCFSA-N 291.398 3.828 30 20 CHED CCCCCCCCCN(C)C(=O)NC1CCC(N)CC1 841944979 VWQDYFMVOGPIMA-UHFFFAOYSA-N 297.487 3.648 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O[C@@H]3CCOC3)cc2)o1 849244238 WNUURULVLVKAIL-CDVVCGDMSA-N 298.338 3.652 30 20 CHED CC(C)(C)OCCSc1cccc(F)c1C#N 590595987 UYKPLHDKLLZULF-UHFFFAOYSA-N 253.342 3.605 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(F)cc2)cc1 742861306 ZRBLHBJOODRCRA-UHFFFAOYSA-N 272.275 3.610 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1ccncc1 844392180 WYYRCCUQALYVAS-BPUTZDHNSA-N 272.392 3.641 30 20 CHED Clc1cccc([C@@H]2CCC(=NNc3cnccn3)C2)c1 841618635 GPHGUILUTUZHDY-GFCCVEGCSA-N 286.766 3.866 30 20 CHED C#C[C@@H](OC(=O)[C@H](CCC)OC)c1ccc(Cl)cc1F 842351853 AWYMXJDNGDVPIA-KGLIPLIRSA-N 298.741 3.512 30 20 CHED CCCCCCCCCNC(=O)N1CCC([C@@H](C)N)CC1 841663591 WEOBDTJJZLVHJM-OAHLLOKOSA-N 297.487 3.506 30 20 CHED C=CCCSCCNC(=O)[C@@H](CC)c1ccc(F)cc1 597967028 KHVNWTJQLWBCSA-HNNXBMFYSA-N 295.423 3.745 30 20 CHED CCc1nc(SCc2ccc(C#N)cn2)sc1C 848437456 QOCAGIVIZAJECY-UHFFFAOYSA-N 275.402 3.573 30 20 CHED C=C(Cl)C[S@@](=O)Cc1coc(-c2ccc(C)cc2)n1 747598643 AGLDJTFIXANJHZ-LJQANCHMSA-N 295.791 3.651 30 20 CHED CC(C)N(C(=S)NC1(C)CCC1)c1cccc(C#N)c1 840723409 BLDAKQFQEVZKNF-UHFFFAOYSA-N 287.432 3.590 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1cc(C(C)=O)ccc1C#N 685909107 ILZHCYAJCPZALJ-NEPJUHHUSA-N 258.365 3.997 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)NCc1cccc(C#N)c1 929941281 KKZITDMVDAEWCN-UHFFFAOYSA-N 296.370 3.687 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccccc1OCCF 926501239 ITWLHWJVIIKBOT-GFCCVEGCSA-N 264.344 3.775 30 20 CHED C#CC[C@H](NC(=O)Nc1ccccc1OC)c1ccccc1 756921979 MVAYFCBMCQWLQS-HNNXBMFYSA-N 294.354 3.581 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2CCc3cc(C)ccc32)c1 920178548 TULAIMPOGOSDKC-BEWREHSGSA-N 281.355 3.816 30 20 CHED C[C@H]1CCCCN1N=Cc1cnc(C(C)(C)C)s1 853380477 QOKQPPNQWGHCIP-NSHDSACASA-N 265.426 3.649 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(Cl)cc1SCC 754368619 MLSFOZPLZADIIV-LLVKDONJSA-N 281.808 3.594 30 20 CHED C=C(C)[C@H](NC(=O)NC1CC=CC1)c1ccc(F)c(F)c1 681320998 YTELLMAGFGHXNL-HNNXBMFYSA-N 292.329 3.600 30 20 CHED C#CCOCCN[C@@H](CCc1ccccc1)c1ccccc1 753761625 ODUGNSQUAOUJSC-FQEVSTJZSA-N 293.410 3.600 30 20 CHED C=C[C@@H](C)ON=CCc1cccc(OC(F)(F)F)c1 853368796 CDTMFMKZBUQRQE-SNVBAGLBSA-N 273.254 3.705 30 20 CHED CCCCCCCOC(=O)c1cc(C#N)cs1 752168440 LWZHXHVKDAYPSJ-UHFFFAOYSA-N 251.351 3.747 30 20 CHED C#CC[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 756953049 HNFBGWMZCQDYMZ-OAHLLOKOSA-N 284.290 3.910 30 20 CHED COc1cccc(CN(CCC#N)CC(C)C)c1Cl 851780166 YVUFZWPSZSTZGA-UHFFFAOYSA-N 280.799 3.720 30 20 CHED Cc1ncc(C=NOCc2ccccc2)n1-c1ccccc1 755633472 UZIJWJASNNMTNL-UHFFFAOYSA-N 291.354 3.731 30 20 CHED COc1cccc(/C=N/C[C@@H]2CCC[C@H](C)C2)c1O 920175538 WYAUSKUTGGAMAJ-JHBBZFSESA-N 261.365 3.646 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1cccc(C)n1 851142717 WYVHUFXRSIDYGR-UKRRQHHQSA-N 259.349 3.682 30 20 CHED Cc1ncoc1-c1ccc(NC(=O)C2(C#N)CCCC2)cc1 928816742 PMQYYGOKXMATGB-UHFFFAOYSA-N 295.342 3.673 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc2ccccc2n1 853260446 UOTBDKVRDBVEAI-UHFFFAOYSA-N 266.348 3.962 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851205015 GAWIQCRLDCLIHQ-YNEHKIRRSA-N 251.370 3.684 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(N)cc1C 758091238 VBVALNKDSVCFNB-UHFFFAOYSA-N 253.349 3.722 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 853783491 KZRHLPSKEDJLAL-DGCLKSJQSA-N 297.851 3.781 30 20 CHED COc1cccc(C2(N[C@@H](C)CC(C)(C)C#N)CCC2)c1 926723965 HGDBZKIXXDXTSJ-AWEZNQCLSA-N 286.419 3.992 30 20 CHED CC1(CCCCOc2cc(Cl)ccc2C#N)OCCO1 853677143 MNVYAVVMCDEDTB-UHFFFAOYSA-N 295.766 3.524 30 20 CHED CCCCCCCCOCC(=O)N1CC=C(C)CC1 756033390 LRSVEJMBAFUYTM-UHFFFAOYSA-N 267.413 3.542 30 20 CHED C=C(Cl)CN1CCC[C@@H]1c1ccc(OC)c(F)c1 852518649 LPKDXUTVVGBDQY-CYBMUJFWSA-N 269.747 3.724 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3c(F)ccc(F)c32)cc1 752785459 GDNUWAVKCZFVTA-INIZCTEOSA-N 284.309 3.614 30 20 CHED C=C[C@@H](OC(=O)c1ccn(C(C)C)n1)c1ccccc1 851451991 GCOMDWGFLJXNCB-OAHLLOKOSA-N 270.332 3.548 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 855441112 VDBVUCOQVKKVCL-PCUGXKRQSA-N 255.361 3.515 30 20 CHED C=CCOc1ccc(CNCCC2CCC2)cc1OC 756136678 ZSVYPBJLZHJCTN-UHFFFAOYSA-N 275.392 3.540 30 20 CHED CC1=CC(=NNc2nc(O)c3ccccc3n2)CC(C)(C)C1 757585031 XSJOCQHCYNVQPX-UHFFFAOYSA-N 296.374 3.870 30 20 CHED CCCc1ccc(/C=C/C(=O)c2cn(C)nc2C)s1 857203019 XGYGRAFHNWLSQK-CMDGGOBGSA-N 274.389 3.639 30 20 CHED CCn1nc(C)c(C=NNc2cc(C)cc(C)c2)c1C 755565991 QVUXRVXNHAICNV-UHFFFAOYSA-N 270.380 3.583 30 20 CHED CC[C@H](C)[C@H](C(=O)Nc1ncc(C#N)s1)c1ccccc1 759132617 ZMKVTCUWSYJNLB-FZMZJTMJSA-N 299.399 3.783 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)cc2N(C)C)cc1 759606169 UESSVSBRAAVJOJ-WDZFZDKYSA-N 299.345 3.796 30 20 CHED CCCc1nc(C)c(CON=Cc2ccc(F)cc2)o1 853640393 DWDFKHIKYFZIQT-UHFFFAOYSA-N 276.311 3.625 30 20 CHED COc1c(Cl)cc(Cl)cc1C=NOCC(F)F 758912649 WCVJQBMATHTBEQ-UHFFFAOYSA-N 284.089 3.618 30 20 CHED CCC(CC)NN=Cc1ccc(Br)cc1C 759196670 NVNJJEIPLCOKMW-UHFFFAOYSA-N 283.213 3.870 30 20 CHED N#CCCCCOC(=O)CCc1ccc(Cl)c(F)c1 860420743 UAJCXPPKEKIZHZ-UHFFFAOYSA-N 283.730 3.649 30 20 CHED N#CC1(COC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 768096173 BYFYJVPTVPFPAO-WDEREUQCSA-N 289.297 3.592 30 20 CHED CC(=NN=c1cc[nH]c(C)c1)c1sc(C(C)C)nc1C 863159596 XLKAUFHZKVIBLQ-UHFFFAOYSA-N 288.420 3.536 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 934921352 AXEWFTMMGSRTKS-HUUCEWRRSA-N 279.424 3.587 30 20 CHED C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)Cc2ccccc21 766042525 KKUFBDGZWMBGOO-GFCCVEGCSA-N 293.326 3.590 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(-c2ccco2)s1 761418086 LNERFKUWQWERCW-UHFFFAOYSA-N 290.340 3.700 30 20 CHED CC(C)CN(CCC#N)Cc1ccc2c(c1)CC(C)(C)O2 768153362 FALGWNUHMMKSNF-UHFFFAOYSA-N 286.419 3.772 30 20 CHED COc1ccc(CCNN=C2CC(C)(C)C[C@H]2C)cc1 766020167 LHKKELUIRDAMQI-CYBMUJFWSA-N 274.408 3.639 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccccc1OC(C)C 767072869 XRIZOZAYLJTPOB-AWEZNQCLSA-N 287.403 3.701 30 20 CHED C/C=C(/C=C/C(=O)OCc1cc(C#N)ccc1F)CC 767658592 HXQSWQSWDRSRSO-ZPFJFLCSSA-N 273.307 3.653 30 20 CHED COc1cc2c(cc1/C=C\C(=O)c1ccco1)O[C@H](C)C2 769784055 ONRPUYJHPOZYER-ISALQUGTSA-N 284.311 3.508 30 20 CHED C#CCCc1noc(CCCCCc2ccc(OC)cc2)n1 762016274 KOHJDXOKOBFTAM-UHFFFAOYSA-N 298.386 3.600 30 20 CHED C=CCn1cnnc1SC[C@H]1CCCc2ccccc21 1116010571 BLMIGPNUXOWPQB-CQSZACIVSA-N 285.416 3.676 30 20 CHED CC1CCC(=NNc2ccc(F)c([N+](=O)[O-])c2)CC1 769829163 CFPZAAUYCQSAGK-UHFFFAOYSA-N 265.288 3.712 30 20 CHED CCO[C@H]1CC(=NNc2c(C)cccc2F)C12CCC2 769840969 QLPKNLILCSWASQ-AWEZNQCLSA-N 276.355 3.881 30 20 CHED Cc1cccc2c1C/C(=C/c1cccc(C(=O)O)c1)C2=O 774140152 SZKLTHDDHRTFIS-ZROIWOOFSA-N 278.307 3.516 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])c1 772798130 SPODTGJOLDEWKV-YVMONPNESA-N 297.310 3.813 30 20 CHED C=CC(C)(C)CC(=O)NCCc1ccccc1OC(F)F 879702154 IACBPKBLRFADEE-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C[C@H](CCC#N)CN1CCCC[C@@H]1[C@@H](O)c1ccccc1 876663610 ZGJJFTJKIXECPA-NXHRZFHOSA-N 286.419 3.514 30 20 CHED C=CC[C@@H](C)NC(=O)c1c(-n2cccc2)sc(C)c1C 1116079871 TXJMANQQSXBBHU-LLVKDONJSA-N 288.416 3.850 30 20 CHED CC(=NNc1nccc2sccc12)c1ccc(F)cn1 770596110 LFVNHBPGVLUDOT-UHFFFAOYSA-N 286.335 3.667 30 20 CHED CCC(CC)n1nc(C(=O)OCCC(C)(C)C#N)cc1C 776430634 LTARGGCQRQVPQB-UHFFFAOYSA-N 291.395 3.649 30 20 CHED C=C(Cl)CNC(=O)c1c[nH]cc1-c1ccc(C)s1 778878120 FBNWWHYKBDGBIV-UHFFFAOYSA-N 280.780 3.534 30 20 CHED C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)C1 776508513 STMIHRQEFZKAIU-YUELXQCFSA-N 278.355 3.847 30 20 CHED C#CCCN(C)[C@H](CC)Cc1ccccc1Br 775836422 HDZCNYIKDXUJNE-CQSZACIVSA-N 294.236 3.725 30 20 CHED CC(=O)N(c1ccc(NC[C@H](C)CCC#N)cc1)[C@H]1C[C@@H]1C 877555719 ZMSFKBNHPKDSHH-GLJUWKHASA-N 299.418 3.800 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1F 776727528 ZGSDLWVBAACFRE-VOTSOKGWSA-N 287.240 3.872 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](CC=C)c1ccncc1 776044736 LNLRHWLOPUSQNO-GDBMZVCRSA-N 287.407 3.743 30 20 CHED C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1C(F)F 1122458023 VXKOVODQPVBTSK-UHFFFAOYSA-N 294.305 3.544 30 20 CHED N#C[C@@H](OC(=O)/C=C\c1cccc(F)c1)C1CCCCC1 776362082 YQQHSFILGBVLFF-ZBTGYSDGSA-N 287.334 3.855 30 20 CHED COc1cc(C#N)ccc1C(=O)Nc1ccccc1C(C)C 1124409802 ZORGQTDKUALETI-UHFFFAOYSA-N 294.354 3.943 30 20 CHED C=CCN(C(=O)[C@@H](F)Cc1ccccc1)c1ccccc1 777930894 NXMHHXQQOQZFMP-KRWDZBQOSA-N 283.346 3.786 30 20 CHED C#CCC1(C(=O)Nc2cc(Cl)ccc2O)CCCCC1 788513503 QCISSNCLCMQNNR-UHFFFAOYSA-N 291.778 3.958 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ccc(F)cc1OCC#N 783589619 NRVJYQSFXIFVGG-NSHDSACASA-N 290.363 3.833 30 20 CHED CC1(C)CCC[C@H](C=NN[C@@H](CO)c2ccccc2)C1 788467843 GBPBQORRRDVANM-HOCLYGCPSA-N 274.408 3.512 30 20 CHED C[C@H](OC(=O)/C=C\c1cccc(O)c1)c1ccc(C#N)cc1 784062387 QMLMTGRRKJMHQR-SZNGSJQDSA-N 293.322 3.581 30 20 CHED C(CC1CCOCC1)=NNc1nc2ccccc2s1 788699613 ZCNDZOSMJVQLHT-UHFFFAOYSA-N 275.377 3.511 30 20 CHED CCOc1ccc(C(=O)OCCCC(C)(C)C#N)cc1 782022458 UEUIGTLBCYZNCO-UHFFFAOYSA-N 275.348 3.572 30 20 CHED CCN(Cc1csc(-c2ccsc2)n1)C[C@@H](C)C#N 64248740 JMOPIDMQXXWXPG-NSHDSACASA-N 291.445 3.853 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(F)ccc1F 788894238 SVKJAKMFANPNDS-UHFFFAOYSA-N 281.302 3.842 30 20 CHED C[C@H]1CC[C@H](NCc2ccc(C#N)cn2)c2ccccc21 783294174 MRXZBBFLXDYJKS-UGSOOPFHSA-N 277.371 3.681 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NN=c2cc[nH]cc2Cl)C1 783520982 LGVZGNCTGCUFIK-MRVPVSSYSA-N 291.704 3.677 30 20 CHED CC1(c2ccccc2)CC(=NNc2ccnc(F)c2)C1 781133782 HWZGNAZYWPAMSQ-UHFFFAOYSA-N 269.323 3.740 30 20 CHED C#CCCCCCC(=O)OCc1cc2ccccc2nc1O 780257360 AJSJFUCWIOIQBI-UHFFFAOYSA-N 297.354 3.567 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)NCc1ccc(C#N)cn1 782028321 ACWKDGHZNBXNEO-MRXNPFEDSA-N 299.418 3.566 30 20 CHED C=C1CCC(C(=O)OCC2(C(F)(F)F)CC2)CC1 892716444 IAGCSIXAVPDLNR-UHFFFAOYSA-N 262.271 3.619 30 20 CHED CC(C)[C@H](F)C(=O)Nc1ccccc1SCCC#N 784095916 OZQORYVVXNTBNF-ZDUSSCGKSA-N 280.368 3.625 30 20 CHED CCCCCCCOC(=O)[C@H](C)c1c(C)n[nH]c1C 786309853 KKHSYVXAKHEPHB-LLVKDONJSA-N 266.385 3.644 30 20 CHED CC(=NNc1ncccc1F)c1nc2ccccc2s1 794981685 ZOLAWBDJKXLCCU-UHFFFAOYSA-N 286.335 3.667 30 20 CHED COCC[C@@H]1CCCC1=NNCc1cccc(Cl)c1 799881357 OWIAMGPWVFVNCV-ZDUSSCGKSA-N 280.799 3.622 30 20 CHED Cc1cc(C)cc(C2CCN(C(=O)C(C)(C)C#N)CC2)c1 891290331 DSXBLXZDIDGZAR-UHFFFAOYSA-N 284.403 3.559 30 20 CHED CCCOc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c(C)c1 799724069 CQJYAYPODNMPLU-ZIAGYGMSSA-N 258.365 3.888 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@@](C)(CC)CCC 796326007 DFCSBXCFJMYCNE-PBHICJAKSA-N 297.439 3.559 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1ccc(C2CCC2)cc1 797960383 QKPCZZACKNSCQV-UHFFFAOYSA-N 281.311 3.946 30 20 CHED Clc1cc(Cl)cc(NN=C2CCN3CCC[C@H]23)c1 790202811 ZMZCZKVWTMBCNV-CYBMUJFWSA-N 284.190 3.629 30 20 CHED C#CCOc1ccccc1NCCCCC1CCOCC1 798390170 LWGBMCYBTVALPT-UHFFFAOYSA-N 287.403 3.707 30 20 CHED Fc1cccc(NN=Cc2ccc(C(F)(F)F)s2)n1 795009871 NGTNOWYKSYOZSF-UHFFFAOYSA-N 289.257 3.747 30 20 CHED CCOc1cccc2cc(C(C)=NOCCCOC)oc12 795047967 CYEZSHYNBLFPMC-UHFFFAOYSA-N 291.347 3.609 30 20 CHED CCC(=NOCCCOC)c1cc(Cl)ccc1OC 795048308 KGEHLDIJGFMEAV-UHFFFAOYSA-N 285.771 3.516 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 792316977 DOZKTHSPOZEWOY-TZMCWYRMSA-N 296.773 3.514 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)C(C)(C)n1cncn1 794531930 XDEXOFRKJXBJCT-UHFFFAOYSA-N 299.422 3.799 30 20 CHED CCN(C)c1ccc(C(C)=NNc2cccc(F)n2)cc1 795008628 NDDDHJTZWVFJCH-UHFFFAOYSA-N 286.354 3.513 30 20 CHED C=CCC[C@H](C(=O)O[C@@H](C)c1ccnn1C)c1ccccc1 791933569 BSDFWCMHHSPLNA-HOCLYGCPSA-N 298.386 3.774 30 20 CHED Cc1c(C(=O)OC(C)(C)C#N)sc2ccc(C#N)cc12 796980629 FYIUMSVNSZXLMT-UHFFFAOYSA-N 284.340 3.540 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C1 192049192 DLFJVNOGABLWLR-CABCVRRESA-N 292.423 3.803 30 20 CHED CCCC(=NNc1cccc(F)n1)c1ccccc1 795006328 MTYHSKVTWDPIGA-UHFFFAOYSA-N 257.312 3.837 30 20 CHED COc1cc(NCc2cc(C#N)cs2)ccc1Cl 193681208 URLGEMDYPHBTKC-UHFFFAOYSA-N 278.764 3.894 30 20 CHED O=C(/C=C/c1c(F)ccc(O)c1F)c1ccccc1 794926015 HIUZCMBGZSVWAO-SOFGYWHQSA-N 260.239 3.567 30 20 CHED C[C@@H](C#N)CNC(=O)c1sc2cccc(F)c2c1Cl 1146978823 RPQWGDYRMJJIDQ-ZETCQYMHSA-N 296.754 3.583 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](C)O[C@H](C)C1 657530986 VINBXOKCHJLSOB-JKJDWNRSSA-N 251.414 3.667 30 20 CHED Cc1nnc(N[C@H](C)CC2CCCCC2)c(C#N)c1C 694693626 RUFNPAGQCLOKHL-LLVKDONJSA-N 272.396 3.736 30 20 CHED Cc1nc(C#N)cc(Nc2cccc(COC(C)(C)C)c2)n1 1307222455 LSCSAQVSYQGNSZ-UHFFFAOYSA-N 296.374 3.715 30 20 CHED C[C@@H]1CC(CCN(C)CC(C)(C)C#N)C[C@@H](C)C1 1307793477 KPDIJFLAHXNSOR-KBPBESRZSA-N 250.430 3.930 30 20 CHED CCSc1cccc(CNc2cc(C)c(C#N)cn2)c1 1307135640 ZMWRDCPTBQECEV-UHFFFAOYSA-N 283.400 3.986 30 20 CHED Cc1cc(N2CCC[C@@H](C(C)(C)C)C2)ncc1C#N 1307105409 NGYCDDBVHBQPKG-CQSZACIVSA-N 257.381 3.524 30 20 CHED CCC1(CNC(=O)Nc2scc(C)c2C#N)CCC1 1310701070 LYJFKJUYXKSRQC-UHFFFAOYSA-N 277.393 3.630 30 20 CHED N#Cc1ccc(CCSc2ncnc3ccccc23)cc1 1164551760 OEKCFAMTKXDNSF-UHFFFAOYSA-N 291.379 3.836 30 20 CHED CCCCCCCCCNC(=O)c1ccc(C#N)c(C)n1 1317799807 OAPJOLNDLUOYHY-UHFFFAOYSA-N 287.407 3.742 30 20 CHED CCC(=NNc1ccc(C)c(Cl)c1)c1cnn(C)c1 1318814842 UGFDJZNRJQEDBW-UHFFFAOYSA-N 276.771 3.608 30 20 CHED C=C[C@@H](COC)NC(=O)c1ccc2c(c1)oc1ccccc12 1323056930 LINQLUBASHXCFN-ZDUSSCGKSA-N 295.338 3.517 30 20 CHED CCCCCCCc1nc([C@H](N)c2ccccc2)no1 1326485433 GGSNYWMTOITWOE-OAHLLOKOSA-N 273.380 3.631 30 20 CHED Cc1cc(C)nc(NC2CC(C#N)(c3ccccc3)C2)c1 1320561861 HXKWRQIEAIBMNG-UHFFFAOYSA-N 277.371 3.734 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2c(C#N)cccc2C#N)o1 1322008420 ZBDWGSXXPMQZPH-IAQYHMDHSA-N 277.327 3.758 30 20 CHED N#CCc1cccc(NCCCCCc2ccccc2)n1 1320359429 IARKSCZROWOOBF-UHFFFAOYSA-N 279.387 3.973 30 20 CHED N#Cc1cccc(Cl)c1N1Cc2ccc([N+](=O)[O-])cc2C1 1252164798 QKCDCQWFPMGCFE-UHFFFAOYSA-N 299.717 3.640 30 20 CHED C[C@@H]1Cc2cc(CNc3cccc(OCC#N)c3)ccc2O1 1336750018 DGGYAJLIHISULG-CYBMUJFWSA-N 294.354 3.524 30 20 CHED CC(C)[C@H]1CCC[C@@H](Nc2cccc(C#N)n2)CC1 1650991450 RRSWCXGDDIDFJG-UONOGXRCSA-N 257.381 3.970 30 20 CHED CCC(CC)[C@H]1C[C@H](Nc2cccc(CC#N)n2)CCO1 1255103148 DARYJGZNKGRUKH-HZPDHXFCSA-N 287.407 3.543 30 20 CHED C=C(C)CCC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 1337214081 XQDGHYQNLSKDSU-JTQLQIEISA-N 265.319 3.826 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)O[C@@H]1CC[C@H](C#N)C1 1347231133 NJXNOEMBIVIXFT-SOUVJXGZSA-N 263.381 3.994 30 20 CHED CC(C)(CCC#N)COC(=O)[C@@H]1CCc2cc(F)ccc21 1345824859 OERVSRRWRDEBPO-OAHLLOKOSA-N 289.350 3.729 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@H]1CC[C@H](C(C)C)CC1 1344864550 SLRRBGZBLPMPJY-RBSFLKMASA-N 287.407 3.542 30 20 CHED CC[C@H](NC(=O)c1csc(C#N)c1)c1ccc(F)cc1 1357426778 XUSIZGXMZBNTPL-AWEZNQCLSA-N 288.347 3.640 30 20 CHED CC(F)(F)c1ccccc1NC(=O)c1cccc(C#N)c1 1273075009 OFTYVYCRUCTLGU-UHFFFAOYSA-N 286.281 3.922 30 20 CHED Cc1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c2ccccc12 1357676407 JWBLTCWKMSGGDH-KBPBESRZSA-N 279.339 3.997 30 20 CHED CCC[C@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1355823286 NCGBBUUQDVZFCE-RDJZCZTQSA-N 284.403 3.723 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2ncccc2C)CCCCC1 1353915230 LZHGHNHWZPEKJP-OAHLLOKOSA-N 284.403 3.541 30 20 CHED Cc1ccc(COC(=O)[C@@H](CC#N)c2ccccc2)cc1F 1458620651 KEQGHEKHUZSVOE-INIZCTEOSA-N 297.329 3.875 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CC2CCC1CC2 1293065026 XLXIGHKLBAFCOC-JCYILVPMSA-N 290.451 3.991 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1cc(C#N)ccc1F 1529531454 SYYGHGPGBXCBGZ-JSGCOSHPSA-N 288.366 3.644 30 20 CHED Cc1ccc(/N=C(\O)Cc2cn(C)c3ccccc23)nc1 428558 BKRKFVIWDNHJGR-UHFFFAOYSA-N 279.343 3.712 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCC[C@@H]2C(=O)O)cc1 1601113597 OBLZHROXYACKBC-JSGCOSHPSA-N 275.373 3.541 30 20 CHED CC(C)(C)[C@H](N=c1cc[nH]c(C#N)c1)c1cccc(F)c1 1472731221 CWENIRSLOSVAJW-MRXNPFEDSA-N 283.350 3.714 30 20 CHED N#Cc1nc(NCc2ccc(F)c(F)c2)sc1Cl 1611863475 CNWHVAITMLDYCB-UHFFFAOYSA-N 285.706 3.558 30 20 CHED COc1cccc([C@H](C)Sc2nnc(C)c(C)c2C#N)c1 1612112483 NSSPMANJRWVNHZ-LBPRGKRZSA-N 299.399 3.827 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)C(C)(C)c2ccccc2)n1 1612138838 JDVQNZNBMDNIFL-CYBMUJFWSA-N 294.402 3.689 30 20 CHED N#CC[C@H](C(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 1628320830 SDSVUKWYWZBWRX-NJAFHUGGSA-N 296.414 3.723 30 20 CHED COc1cccc(CN(CC(C)C)c2ccc(C#N)cc2)n1 1559620335 CLNFFNVLDGIWSB-UHFFFAOYSA-N 295.386 3.624 30 20 CHED CCCC[C@@H](CCC)CNC(=O)N1CCC[C@H](C#N)C1 1564306959 SCAYNEPNVBUXPX-HUUCEWRRSA-N 279.428 3.538 30 20 CHED C[C@H](Nc1ccc(C#N)c(Br)c1)C1CC1 228178249 YLBPCOYQIRQYFM-QMMMGPOBSA-N 265.154 3.531 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@](C)(c2ccccc2)C1 1657392604 OHGCUMULEKFPQE-SJLPKXTDSA-N 270.420 3.980 30 20 CHED Cc1ccc(CC2CCN([C@@H](C)CCC#N)CC2)cc1 1652982759 PUZUMDTZIXJLHO-INIZCTEOSA-N 270.420 3.942 30 20 CHED CCCCn1ncc(Nc2cc(C#N)nc(C)n2)c1C(C)C 1651815402 YLDBXRPBJCMXCO-UHFFFAOYSA-N 298.394 3.520 30 20 CHED C[C@@H](NN=C1CCC[C@H](CCCC(=O)O)C1)C(C)(C)C 1593318165 BLQRDAJFKVFJNZ-CHWSQXEVSA-N 282.428 3.812 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CC[C@@H](C(C)C)C1 1776050375 MVKLVEUZZHAGPV-LLVKDONJSA-N 290.363 3.617 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)c1ccc(C)c(C)c1 1776083520 LCRBORCPUVFGEC-UHFFFAOYSA-N 296.370 3.767 30 20 CHED Cc1ccsc1C=NNc1cccc(C(=O)O)c1C 1776086397 RXTBBIMGOHYXNK-UHFFFAOYSA-N 274.345 3.509 30 20 CHED O=C(O)c1ccc(NN=C2CCC3(CCCC3)CC2)cn1 1776071086 BXAQELRKMQGKNB-UHFFFAOYSA-N 287.363 3.682 30 20 CHED C[C@H]1CCc2sc(C(=O)Nc3ccc(C#N)cc3)cc2C1 15594684 VWEBPJBBRIBIJN-NSHDSACASA-N 296.395 3.997 30 20 CHED CC1(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CCC1 161159846 VROBTAYNAORQIY-GFCCVEGCSA-N 297.185 3.864 30 20 CHED Cc1ccc(CNc2ncccc2OCCCC#N)cc1C 162254988 QRHBRKDJGNFIHH-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)[C@H](C)c1ccccc1 151141262 KNBHSSVCGGSEIS-KBPBESRZSA-N 282.362 3.979 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 151966411 PCBNDCBYBHXTEZ-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED N#CCC[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1 153463482 LMPQFUXGEFTALF-HZPDHXFCSA-N 268.360 3.504 30 20 CHED C=CCCNc1ccccc1NC(=O)Cc1cccs1 157180473 MFOHRLGESOZVBX-UHFFFAOYSA-N 286.400 3.917 30 20 CHED COc1ccccc1[C@H]1CCN(Cc2ccccc2C#N)C1 157913059 OVBSNFXGJHRIDL-KRWDZBQOSA-N 292.382 3.556 30 20 CHED CCc1noc(C)c1CSCc1ccc(F)cc1C#N 159766104 WWNMPTZEKQMOPG-UHFFFAOYSA-N 290.363 3.990 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2cccc3ccsc23)C1 930513842 ATGJUZLMRFAPME-LLVKDONJSA-N 285.372 3.669 30 20 CHED COc1cc(C#N)ccc1NCc1cc(C)cc(C)c1 127978104 SEMXPOYGDZNFPJ-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CN(Cc1ccc(C#N)cc1F)C1CCCCCC1 35175704 NAQHCNVXNBXQOO-UHFFFAOYSA-N 260.356 3.852 30 20 CHED COc1ccc(Cl)cc1CNCc1cccc(C#N)c1 37996316 JWRNBGCCFVLKFZ-UHFFFAOYSA-N 286.762 3.510 30 20 CHED CCc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)s1 51637479 GZGUZUZKFAYBLO-UHFFFAOYSA-N 274.320 3.574 30 20 CHED N#Cc1ccc(N(Cc2ccccc2)Cc2ccco2)nc1 301562486 UUGOBBUDRVWEHP-UHFFFAOYSA-N 289.338 3.753 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CCO1 70350659 KRAGFIPPULHMSW-GXSJLCMTSA-N 284.281 3.556 30 20 CHED CON(Cc1ccc(C#N)cc1Cl)CC(C)(C)C 311127241 VPANOLBWMFICIB-UHFFFAOYSA-N 266.772 3.621 30 20 CHED C[C@H](C1CC1)N(CCCSCC#N)Cc1ccccc1 80627124 MIBGFSNVWZDNPI-OAHLLOKOSA-N 288.460 3.934 30 20 CHED N#Cc1cccc(C/N=C(/O)[C@H]2CC23CCCC3)c1 329950012 HOWOWFKQYUKBLW-CQSZACIVSA-N 254.333 3.595 30 20 CHED C=CCCCCCCN[C@@H](C)[C@H]1C[C@H]2CC[C@H]1O2 386605776 AVOGDFHQJQOHSA-ZJIFWQFVSA-N 251.414 3.669 30 20 CHED C[C@H](CCCCO)Nc1ccc(C(F)(F)F)cc1C#N 398569099 HGZLNTLDARMGOY-SNVBAGLBSA-N 286.297 3.540 30 20 CHED C(=NNCc1ccccc1)c1ccc2occc2c1 794876972 BTJVJBLTNSVAQM-UHFFFAOYSA-N 250.301 3.557 30 20 CHED CCc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2C#N)cc1 7984805 XUOXLIXCJZEVLR-UHFFFAOYSA-N 295.342 3.665 30 20 CHED CCOc1cccc(/C=C/c2cc(C#N)ccn2)c1 1344339147 SLEUPNZQGFGUDG-VOTSOKGWSA-N 250.301 3.522 30 20 CHED N#Cc1cc(Cl)ccc1NCC[C@H]1C[C@H]2CC[C@H]1O2 413402701 GNEQOJCEHUJWTM-PSOPSSQASA-N 276.767 3.581 30 20 CHED CC(C)(C)c1ncc(C(=O)Oc2ccc(C#N)cc2)s1 57292412 BNNFCPYUXIWEQH-UHFFFAOYSA-N 286.356 3.531 30 20 CHED C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)C1CC1 175323805 OUATYDQLQYKCIS-ISVAXAHUSA-N 297.185 3.720 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1CCC 173430807 BFMRRHQLUHNYHA-UHFFFAOYSA-N 261.365 3.560 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc2[nH]ccc2c1 107595744 BJZKYUCLOCGKKV-UHFFFAOYSA-N 283.375 3.570 30 20 CHED CC(C(=O)Nc1ncccc1OCCCC#N)=C1CCCC1 176607431 XLIDCDDTNASYII-UHFFFAOYSA-N 299.374 3.593 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)c[nH]2)cc1 171909547 JUDHXUKEYLJMAM-ZHACJKMWSA-N 299.333 3.844 30 20 CHED C[C@H](NC(=O)N1CCC(C#N)CC1)[C@@H](C)C1CCCCC1 175442978 AFDKQFQYHNNJAP-KGLIPLIRSA-N 291.439 3.536 30 20 CHED COc1ccc(CNC(C)(C)c2cccc(C)c2)cc1C#N 174409748 MHNQFSZPHQEGIK-UHFFFAOYSA-N 294.398 3.900 30 20 CHED N#Cc1ccc(/C=C2/CSc3ccccc3C2=O)s1 176402859 SNUALYWTVOWMPY-YFHOEESVSA-N 283.377 3.992 30 20 CHED C=CCCCC(=O)N(C)[C@H]1CCCc2nc(CC)sc21 178011253 UDEZLLNPRFBPOK-ZDUSSCGKSA-N 292.448 3.898 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)c1cc2ccccc2o1 176228912 UZUOZLIMXAQIFL-YVEFUNNKSA-N 284.359 3.591 30 20 CHED C=CCS[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 114757506 HKXQETOLXLQIDM-CHWSQXEVSA-N 277.433 3.734 30 20 CHED C=CC1CCN(c2cc(C)nc3ccccc23)CC1 301255654 NPGNRNZXGBJMBV-UHFFFAOYSA-N 252.361 3.946 30 20 CHED Cc1c(C(=O)OCCCC#N)sc2ccc(F)cc12 64008134 NTOCUNMUTAOGGB-UHFFFAOYSA-N 277.320 3.809 30 20 CHED Cc1ccc(C)c(OCc2ccc(F)cc2C#N)c1 303223831 WBRSYRUYKSJKLC-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C=CCCCC(=O)NC[C@@H](C)Oc1ccccc1Cl 175968855 IGZDTWLTWXLRPM-GFCCVEGCSA-N 281.783 3.580 30 20 CHED CC(C)CNC(=O)c1ccccc1-c1ccccc1C#N 27770063 DPPYAYZJCLTNNT-UHFFFAOYSA-N 278.355 3.611 30 20 CHED Cc1ccc(NC(=O)NCc2cc(C#N)ccc2F)c(C)c1 174165111 URSYGHOKSLASNW-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C=CCOc1ccc(OC(=O)CC[C@H]2CC[C@H](C)O2)cc1 174755332 UNERYKIAQPFRCF-DZGCQCFKSA-N 290.359 3.505 30 20 CHED CN(Cc1ccccc1F)c1ccc2cc(C#N)ccc2n1 301980812 PXRQIPSCZAIJQG-UHFFFAOYSA-N 291.329 3.882 30 20 CHED CCC(CC)c1cc(CNCc2cc(C#N)cs2)on1 177706261 MVTWZHRVYJEKOB-UHFFFAOYSA-N 289.404 3.801 30 20 CHED C=CCC[C@H](NCc1ccc(N2CCCC2)nc1)C1CC1 120082994 GOJUBWWARCMRDA-KRWDZBQOSA-N 285.435 3.516 30 20 CHED Cc1ccc(N/C(N)=N\Cc2oc3ccccc3c2C)cc1 304749724 HZDZYNANQUHCTI-UHFFFAOYSA-N 293.370 3.976 30 20 CHED Cc1nc(C)c([C@H](C)N(C)Cc2ccc(C#N)s2)s1 123178273 VYGCBVZUAJDBGG-JTQLQIEISA-N 291.445 3.886 30 20 CHED COc1cccc(CNc2ccccc2O[C@@H](C)C#N)c1 182587953 FMDZBKASRBRCLD-ZDUSSCGKSA-N 282.343 3.598 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1ccc(F)cc1Cl 77621760 SHHMFFRJEWHCSM-LLVKDONJSA-N 296.773 3.924 30 20 CHED COCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 417355616 AYOLFOBQCVMJEB-ZYSHUDEJSA-N 298.430 3.730 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(C)ccc2F)c1 78483457 USZJALKKOHTSRP-UHFFFAOYSA-N 281.330 3.782 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccccc1Cl 410126441 ZONMFPFUCIBZQC-ZDUSSCGKSA-N 265.784 3.744 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(O)c1 218790277 GIXFNAHZTOHXJQ-VURMDHGXSA-N 283.283 3.505 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2)cc1F 214945420 CXTOEYJNASJVPO-CLFYSBASSA-N 256.276 3.730 30 20 CHED Cc1ccc(CNC(=O)c2cc(C#N)ccc2Cl)c(C)c1 504856146 GWSDSRQCBAXPQD-UHFFFAOYSA-N 298.773 3.759 30 20 CHED CCCCCN(CCCOC)Cc1cccc(C#N)c1F 505850890 JMZSYGHJQJEYMV-UHFFFAOYSA-N 292.398 3.726 30 20 CHED CC1(C[S@@](=O)Cc2ccc(CC#N)cc2)CCCCC1 414289066 VRCNKLDPLMRGDK-FQEVSTJZSA-N 289.444 3.972 30 20 CHED O=C1/C(=C/c2cccs2)CCOc2cc(F)ccc21 180459695 QUPNPEGUFSJAGF-CSKARUKUSA-N 274.316 3.936 30 20 CHED CCCCCCCCOCC(=O)Nc1ccc(O)cc1F 180861618 QVMIDYOAEGCOQP-UHFFFAOYSA-N 297.370 3.847 30 20 CHED CC(C)[C@@H](C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 505540657 QOPYVDRQGCLXRW-SKDRFNHKSA-N 299.201 3.966 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(C)cc1Br 188033893 OTOYAUPZCGRDAB-CYBMUJFWSA-N 297.196 3.693 30 20 CHED C=C(C)CCc1noc(-c2cc(F)c(F)cc2F)n1 508676347 CYTLCKVTMWYMDI-UHFFFAOYSA-N 268.238 3.663 30 20 CHED CC1(C)CN(CCC2(C#N)CCCCC2)[C@@H]1[C@H]1CCCO1 411752937 OSTQWQCSQMIYEA-HZPDHXFCSA-N 290.451 3.740 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)c(OC)cc1F 188513137 RGWFEQKTNGXXID-CQSZACIVSA-N 269.291 3.514 30 20 CHED CCc1ccccc1NC(=O)N(C)Cc1cccc(C#N)c1 43402345 GUOUEAOVJUHPBH-UHFFFAOYSA-N 293.370 3.785 30 20 CHED N#CCOc1ccc(NCc2cc(F)c(F)cc2F)cc1 225280611 QMTPGJLPVIGMEH-UHFFFAOYSA-N 292.260 3.618 30 20 CHED Cc1ncc(N=C(O)[C@@]2(C)CCc3ccccc3C2)cn1 329637653 VRBGCQBPJIJJNH-KRWDZBQOSA-N 281.359 3.568 30 20 CHED C=C1CCN(Cc2ccc(Cl)nc2Cl)CC1 283085921 LAACWNNLYYNVHK-UHFFFAOYSA-N 257.164 3.540 30 20 CHED Cc1cc(NCc2cccc(C#N)c2)cnc1Cl 83429337 CSPUDYODJAZECA-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C[C@@H]1CCC[C@H](Nc2c(C#N)nnc3ccccc23)[C@@H]1C 85919859 JWJUIXIKZQCZRJ-BZPMIXESSA-N 280.375 3.738 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C)c1csnn1 411263517 SVBBWFPQGPQMDB-LBPRGKRZSA-N 265.426 3.667 30 20 CHED C=CCSCCNC(=O)N1CCCC[C@H]1CC(C)C 509207055 HIOYTTZONFBRBP-AWEZNQCLSA-N 284.469 3.516 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(OC)cc(OC)c1 222054091 BVEYUJCJELVDFB-WAYWQWQTSA-N 297.354 3.557 30 20 CHED N#Cc1ccc(CN2CCCc3cc(F)ccc32)cc1 43784441 ZESVFHSLNBRJSF-UHFFFAOYSA-N 266.319 3.650 30 20 CHED C#CCOc1ccccc1CNc1ccc2ncsc2c1 226651711 LJVDUNXNCUSIST-UHFFFAOYSA-N 294.379 3.920 30 20 CHED CCCC[C@H](CC)/C(O)=N/S(=O)(=O)c1ccccc1 46708595 RCTOZOALBNHZNZ-LBPRGKRZSA-N 283.393 3.548 30 20 CHED C=C(C)CNC1(c2ccc(Br)cc2)CC1 174837653 DEFAXWJDNHTDRX-UHFFFAOYSA-N 266.182 3.604 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H](C(C)C)CC1 130472829 ZNRYDVOYSKRMIT-MRXNPFEDSA-N 286.419 3.825 30 20 CHED C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1ccccc1 136134563 OARYDRFJUFFIHE-CQSZACIVSA-N 279.339 3.795 30 20 CHED Cc1cc(Nc2ccc(COC(C)C)cc2)c(C#N)cn1 425218611 YRPQXCQXWRMKOI-UHFFFAOYSA-N 281.359 3.930 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2ccccc2F)SC1=S 192692544 DCBNJHVUVRXNEX-GHXNOFRVSA-N 293.388 3.603 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(CC)CC 193643185 XZBFUPHRQZJLFM-UHFFFAOYSA-N 251.395 3.699 30 20 CHED C=CCOc1ccc(CNc2cc(C)on2)cc1Cl 134417985 VODQIZVHBUDDDP-UHFFFAOYSA-N 278.739 3.813 30 20 CHED CC[C@H](C)CC(=O)Nc1cc(C#N)ccc1OC(F)F 191164415 AYCLLTLMVIBWDW-VIFPVBQESA-N 282.290 3.534 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1c(F)cccc1F 193757748 AAZNVZUAGZPNRB-NSHDSACASA-N 266.287 3.763 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)CC1CCCCC1 426583367 FZCBELCTVFFJHQ-CHWSQXEVSA-N 252.402 3.609 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421551936 AXQRBEUVFZSMQW-DZGCQCFKSA-N 295.386 3.893 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)C1[C@@H]2CCCC[C@@H]12 329274064 KGEVGHRLWKZWAH-RTWAVKEYSA-N 292.423 3.913 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2ncco2)c1 424773812 QQZWYRPFYKCZIQ-UHFFFAOYSA-N 270.332 3.882 30 20 CHED C=CC[C@H](CC)NC(=O)NC1CC(c2ccccc2)C1 513398281 ZUADBRQRDRWABC-PCKAHOCUSA-N 272.392 3.587 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N(CCC)CC1CCCCC1 516127804 KOEYIVUIHRHNFR-IAGOWNOFSA-N 293.451 3.787 30 20 CHED C=CCCOCCN[C@H](CC)c1ccc(Cl)cc1 229860650 HHUYXSZFMWQCDJ-OAHLLOKOSA-N 267.800 3.973 30 20 CHED CC(F)(F)c1ccccc1N[C@H]1CC[C@H](C#N)C1 336207537 XJUXWYKJBIWXJH-QWRGUYRKSA-N 250.292 3.902 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 331477658 DOOVWOXQASLXET-IKGGRYGDSA-N 297.402 3.534 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1c(C)cccc1OC 335293168 MJAILGSANGZCQS-ZDUSSCGKSA-N 274.364 3.576 30 20 CHED C=CCN(C)CCOc1ccc(OCc2ccccc2)cc1 512318300 NBSFDBFBKLDKBA-UHFFFAOYSA-N 297.398 3.762 30 20 CHED C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CC[C@H](C#N)C1 424328803 OSJHTTORVCKGTJ-TYNCELHUSA-N 278.346 3.568 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 335517068 WOILHSPPQJHKNI-JSGCOSHPSA-N 293.432 3.639 30 20 CHED CCC[C@]1(C)CCCN(C(=O)NCC(C)(C)CCC#N)C1 513146006 BADBBAKOZIBVDN-QGZVFWFLSA-N 293.455 3.928 30 20 CHED C=CC[C@H](NCc1cc(-c2ccccc2)cs1)C(=O)O 426810145 HYTACMDTXNITHL-HNNXBMFYSA-N 287.384 3.534 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1C(F)F)OCC 425076090 QYTBVBYNHUHESA-ZDUSSCGKSA-N 283.318 3.934 30 20 CHED Cn1cc(/C=C/c2nc3ccccc3s2)cc1C#N 191214244 BWFATQSSJTZRNM-VOTSOKGWSA-N 265.341 3.677 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(Cl)nc1C 194653530 CZGFRSHUJABECM-SNVBAGLBSA-N 281.787 3.910 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 335967033 KPQDNKOYAKKXEZ-GOSISDBHSA-N 292.382 3.530 30 20 CHED CC1(Nc2snc(Cl)c2C#N)Cc2ccccc2C1 92694472 ICJQLPOXUZXARY-UHFFFAOYSA-N 289.791 3.638 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(F)c(OC)c(F)c1 336303864 NAUDIUMHQCPONX-NSHDSACASA-N 296.317 3.546 30 20 CHED N#Cc1ccc(CNC[C@H]2CCc3ccccc32)cc1F 421371467 XWTGBXGPXSVNGH-MRXNPFEDSA-N 280.346 3.517 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 335911873 MKOFVORYDAUZBZ-QMMMGPOBSA-N 291.763 3.562 30 20 CHED C=CCC[C@@H](NCCC(O)(CC)CC)c1ccco1 519725908 RXSXCYJLIVBFRT-CQSZACIVSA-N 265.397 3.818 30 20 CHED N#CC1(C(=O)NCC2CCCCCCC2)CCCC1 98127665 IPLVHJDQPJFOLS-UHFFFAOYSA-N 262.397 3.547 30 20 CHED N#Cc1ccc(N2CCC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] 94592897 JTFUSESGLOSRLW-WFASDCNBSA-N 285.347 3.625 30 20 CHED CCO[C@H]1C[C@H](Nc2ccc(C#N)cc2F)C12CCCC2 90801995 MQJDAMBBCUNSPC-HOTGVXAUSA-N 288.366 3.847 30 20 CHED C[C@H](CCNCCC#N)c1cccc(C(F)(F)F)c1 516965388 SDSBUYDUMGRMHH-LLVKDONJSA-N 270.298 3.702 30 20 CHED C[C@H]1CCC[C@H](CNCc2ccc(N(C)CCC#N)cc2)C1 237538521 OWIIEMAETDIXKN-WMZOPIPTSA-N 299.462 3.952 30 20 CHED C=CCNC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 337494253 PVWVJDJEKUYVFX-AWEZNQCLSA-N 278.371 3.788 30 20 CHED Cc1ccc(-c2cnc(CN(C)CC(C)(C)C#N)o2)cc1 433310636 IUVAJKKQTASQQR-UHFFFAOYSA-N 283.375 3.632 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1cccc(O)c1 96792662 JZTHGMXTYYBKAB-ALCCZGGFSA-N 260.239 3.567 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc([N+](=O)[O-])cc1 97220157 WYZVUDUHANCNDE-TWGQIWQCSA-N 299.330 3.512 30 20 CHED C[C@H](C(=O)N[C@H]1CCC12CCCC2)c1cccc(C#N)c1 335386312 IOYPKQUNTAYUJA-BBRMVZONSA-N 282.387 3.501 30 20 CHED CCO[C@@H](C)c1ncc(/C(O)=N/CC2CCCC2)s1 330924960 UMVQHDLYHLOZPS-JTQLQIEISA-N 282.409 3.735 30 20 CHED Cc1nc(N2CCC[C@H](c3ccccc3)C2)ccc1C#N 431497617 RZGRHRMLVRTWKU-KRWDZBQOSA-N 277.371 3.646 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc2ccoc2c1 337979193 LYRHEAPTADZYTB-UHFFFAOYSA-N 276.295 3.865 30 20 CHED CCCCCOc1cc(CN(CC)CC#N)ccc1OC 92398978 UKHBSGAPJXDXMX-UHFFFAOYSA-N 290.407 3.610 30 20 CHED C[C@@H](C(=O)Nc1cc(F)ccc1F)c1cccc(C#N)c1 336037089 WNNNCGYNYKNDRZ-SNVBAGLBSA-N 286.281 3.579 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(F)c(F)c1F 94184401 FPUSXTJFMOFZRT-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1cc([C@@H](C)/N=C(/O)c2cnn(C(C)(C)C)c2)c(C)o1 330569781 OICCTLNEUHKSSA-LLVKDONJSA-N 289.379 3.914 30 20 CHED CC(C)c1noc(CSCc2ccc(CC#N)cc2)n1 342554241 GUMAGYIQIQJFHZ-UHFFFAOYSA-N 287.388 3.692 30 20 CHED N#CCCCNC(=O)Cc1cc2c(ccc3ccccc32)o1 342659487 VTBHYTXLXGJQSG-UHFFFAOYSA-N 292.338 3.548 30 20 CHED CC1(C)C[C@@H](NCC2(CC#N)CC2)c2cc([N+](=O)[O-])ccc21 430726888 WLTSNBUYIRQHJG-OAHLLOKOSA-N 299.374 3.601 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C[C@@H]2c2ccccc2)cc1 340720383 GYZPYYPDLPVDQQ-DOTOQJQBSA-N 276.339 3.691 30 20 CHED C[C@H](Sc1ccccc1C#N)C(=O)N(C)c1ccccc1 439696137 MQGGCXYWTDPYFW-ZDUSSCGKSA-N 296.395 3.702 30 20 CHED C=CCC(CC=C)c1nc(-c2cnc3ccc(C)cn23)no1 347317070 IKJAJNPRZJJDBG-UHFFFAOYSA-N 294.358 3.929 30 20 CHED C=CCCCN(Cc1ccnc(OC(C)C)c1)C1CC1 348259702 ACJBCPFOVUPAIR-UHFFFAOYSA-N 274.408 3.799 30 20 CHED C[C@H](CC#N)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 246236387 VKWJAHYGASFFLA-MIMYLULJSA-N 297.185 3.515 30 20 CHED CN(C(=O)[C@@H](C#N)CCc1ccccc1)C1CCCCC1 433234160 QTFNBCXUPBVYKX-MRXNPFEDSA-N 284.403 3.550 30 20 CHED N#Cc1cccc(N[C@H]2CCC[C@@H]2c2ccccc2)n1 522904166 DKAUIVNUHLNETL-CVEARBPZSA-N 263.344 3.701 30 20 CHED N#Cc1ccc(NC[C@H]2CCCN(c3ccccc3)C2)cc1 432931637 MFAIRVJTGNKHFF-QGZVFWFLSA-N 291.398 3.887 30 20 CHED N#CCCCN[C@H]1CCC[C@H]1c1ccccc1Cl 349659814 ZZBDGWJXVVFKTE-ZFWWWQNUSA-N 262.784 3.869 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(F)c(C#N)c2)C1(C)C 609102424 PESYHSADSYDFEN-UKRRQHHQSA-N 286.350 3.874 30 20 CHED C[C@@H]1CC(F)(F)CCN1c1nc(C(C)(C)C)ccc1C#N 528208828 QGOWKPPPXWVRQB-LLVKDONJSA-N 293.361 3.875 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)C1CCCCC1 52333501 BOFIRFOOJHYHDL-CQSZACIVSA-N 272.392 3.647 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NCc1cccc(C#N)n1 602531431 IDDSBDRKOKHZAH-HNNXBMFYSA-N 293.414 3.799 30 20 CHED CCC(CC)CN(CCC#N)[C@H](c1nccn1C)C1CC1 602464171 CSWFNGGERDEECW-INIZCTEOSA-N 288.439 3.523 30 20 CHED C=CCOc1ccccc1CNC(=O)CCC(C)(C)C 606197590 DBWOLVBZVVNOCM-UHFFFAOYSA-N 275.392 3.694 30 20 CHED N#CC1(CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 347025503 XNJSKXCOTSGRJU-UHFFFAOYSA-N 291.763 3.786 30 20 CHED C=CC[C@H](C)NC(=O)NCCCC1CCCCC1 604894301 BUVODQBILXCYGR-ZDUSSCGKSA-N 252.402 3.611 30 20 CHED N#CCC1(CN[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 430742527 MHLUHDTXUFERDD-IAGOWNOFSA-N 268.404 3.996 30 20 CHED CN(C)c1ccccc1N(C)Cc1ccc(C#N)cc1Cl 439453238 PKWGQIHGXDVRGY-UHFFFAOYSA-N 299.805 3.914 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc2ccn(C)c12 439389411 RWOIZWIPQVLHGE-CYBMUJFWSA-N 271.364 3.655 30 20 CHED CCCC(C)(C)NC(=O)Nc1ccc(C#N)c(Cl)c1 609711470 RAMRUVFPUSHUNW-UHFFFAOYSA-N 279.771 3.912 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccsc2)cc1 255387644 YFVHLFJSXRAODQ-KMSCOEIWSA-N 283.352 3.935 30 20 CHED CC[C@@H]1CN(Cc2ccccc2C#N)c2ccccc2O1 441327739 GXBHJIPEHOZOHV-MRXNPFEDSA-N 278.355 3.736 30 20 CHED CC1(C)CN(c2ncc3c(c2C#N)CCC3)[C@H]1c1ccco1 601210214 ORVDTBXTYRDEBB-INIZCTEOSA-N 293.370 3.622 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1CCC[C@H](C)C1 602385569 DMCGTZQSLRNUBC-JSGCOSHPSA-N 288.366 3.817 30 20 CHED CCCCn1cc(CNC2CCC(C)(C#N)CC2)c(C)n1 449209611 VEUICTIWBGBTCE-UHFFFAOYSA-N 288.439 3.554 30 20 CHED C=CCCC(=O)NC(c1ccccc1)c1ccccc1 523227938 YOAJWNJROUZXRY-UHFFFAOYSA-N 265.356 3.858 30 20 CHED Cc1ccc(F)c(CN(C)CCCC(C)(C)C#N)c1 444734281 MQKSPFGNUWRZMB-UHFFFAOYSA-N 262.372 3.896 30 20 CHED C=CCCN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 606897010 FEGDEDLGXHGIAS-AWEZNQCLSA-N 259.393 3.872 30 20 CHED CC(C)(C#N)C(=O)Nc1nc(C2CCCCC2)cs1 601699919 DFBRQUHFVFMEJX-UHFFFAOYSA-N 277.393 3.679 30 20 CHED Cc1cccc([C@H](NCC2(CC#N)CC2)C(F)(F)F)c1 602807916 UVPHDYUQVRECOB-ZDUSSCGKSA-N 282.309 3.882 30 20 CHED COc1cc(F)c(F)cc1NCc1ccc(F)c(C#N)c1 357194999 XKVXIFXUNLJNNT-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=CCOc1cccc(CN2CCC[C@H]2c2cc(C)no2)c1 352086432 CDEQITLWNKBWIE-KRWDZBQOSA-N 298.386 3.885 30 20 CHED Cc1ccsc1-c1nnc(S[C@H](C#N)C2CC2)o1 601077210 PFFFJWZPGCMRIG-SECBINFHSA-N 277.374 3.501 30 20 CHED CC(C)c1cnc(SCc2cccc(C#N)c2)[nH]1 600584984 LNCXTGKMGBOUNE-UHFFFAOYSA-N 257.362 3.697 30 20 CHED CCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CCOC(C)(C)C1 351929178 WAXFRXLAQHCYGK-QGZVFWFLSA-N 286.419 3.646 30 20 CHED COc1c(F)cc(F)cc1NCc1ccc(C#N)cc1F 355433258 GKNPDGGURKOYQG-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1ccc(C)c(C)c1 531896228 MQHARCPMIXCTJM-UHFFFAOYSA-N 286.419 3.825 30 20 CHED C=CCN(CCCN1CCCCC1)Cc1cccs1 444579874 ACIWVNFFLOBXCP-UHFFFAOYSA-N 278.465 3.612 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(-c2csc(C)n2)cc1 441285050 LRBKSEAAUXWXPS-UHFFFAOYSA-N 286.400 3.767 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1csc2cc(C)ccc12 359320621 LBINPXXLQUWXCA-GFCCVEGCSA-N 286.400 3.832 30 20 CHED CC(C)(CCC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612252623 YVRGYIQSIVNECZ-LJQANCHMSA-N 298.430 3.897 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCCN(C2CCCCC2)C1=O 443097096 UOZULHWYZNDUPS-DOTOQJQBSA-N 292.467 3.645 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(C2=CCCC2)cc1 354426779 KZBXENCIMRVEML-ZDUSSCGKSA-N 255.361 3.948 30 20 CHED CC(C)(C)CCCNC(=O)Nc1ccc(F)cc1C#N 531199150 LUNWIAYPSFPKBN-UHFFFAOYSA-N 277.343 3.645 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)s2)CC12CCC2 354899694 PGSONRNDSFFRKZ-LBPRGKRZSA-N 260.406 3.632 30 20 CHED C=CCn1c(SC[C@H]2CCCOC2)nc2ccccc21 533201676 GVLQJSYEMAMUIO-ZDUSSCGKSA-N 288.416 3.741 30 20 CHED C=CCCCC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 359080369 QDKCEASGXRJWEH-DOTOQJQBSA-N 291.366 3.518 30 20 CHED C[C@@H]1CCc2c(sc3ncnc(NCCCC#N)c23)C1 612097108 PSLFMPJEAPBIPE-SNVBAGLBSA-N 286.404 3.532 30 20 CHED Cc1ccc(C#N)nc1NCc1ccccc1Cl 611398707 MCFBSLKVWDDOTG-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC(C)n1cc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cn1 618806252 PBGQWOKSNUJWAS-UGSOOPFHSA-N 294.402 3.674 30 20 CHED N#Cc1csc(CN2CCCc3ccccc3CC2)c1 449554567 COUKRSPEKJWFRU-UHFFFAOYSA-N 282.412 3.611 30 20 CHED C[C@@H](c1ccccc1F)N(C)Cc1ccc(OCC#N)cc1 264182185 YZYPXEHDTKOJQJ-AWEZNQCLSA-N 298.361 3.921 30 20 CHED C=CCC(CC=C)C(=O)NCCCCN1CCCC[C@H]1C 268145593 JDUIXVNEFAADCI-MRXNPFEDSA-N 292.467 3.526 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)CCCC3=O)CCC1 452315456 WEACHIBTMVQSRZ-UHFFFAOYSA-N 283.371 3.891 30 20 CHED C=CCC[C@H](C(=O)NC/C=C/CC)c1ccccc1 452607806 VZKMNYYPVSYVKZ-YKXBDCQTSA-N 257.377 3.819 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@]2(CCSC2)C1 451962038 FHMGGRGEUYVRPK-PBHICJAKSA-N 286.444 3.838 30 20 CHED C=CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 539035622 SCSYITRDGGHKEU-RRFJBIMHSA-N 261.409 3.770 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H]2C(C)C)c1 455977661 CASVEEFWNRNLJB-HNNXBMFYSA-N 271.364 3.519 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(F)cc1N(C)C 453342286 DCQLJCSDGXZCFD-LBPRGKRZSA-N 250.361 3.509 30 20 CHED COc1ccccc1-c1ccc(CN2CC(C)(C#N)C2)cc1 459595071 QRUUIGTWNIOTFU-UHFFFAOYSA-N 292.382 3.708 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 367187360 PCOVCXABPYLDPQ-HQQPKKBNSA-N 290.357 3.883 30 20 CHED C=CC[C@H](C(=O)N[C@@H](CC)C1CC1)c1ccccc1 618868108 KPIJFFZQSLHABN-HOTGVXAUSA-N 257.377 3.651 30 20 CHED Cc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)cc1C 619767093 QZZFBQDADLEFRV-UHFFFAOYSA-N 298.773 3.759 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H](C)Cc1cccc(Cl)c1 611115234 ZTFIHEDZNPPWST-IUODEOHRSA-N 292.810 3.573 30 20 CHED Cc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)sc1C 610362550 PLQXEYLPIFMIQM-LLVKDONJSA-N 284.384 3.728 30 20 CHED Cc1cccc(CN(C)Cc2ccc(Cl)cc2C#N)n1 360041760 ZNDPXFVEJKAVPI-UHFFFAOYSA-N 285.778 3.547 30 20 CHED COc1cccc2c(N3CCC(CC#N)CC3)cc(C)nc12 541932255 KIKRNNSXRQEBNR-UHFFFAOYSA-N 295.386 3.682 30 20 CHED CC[C@H](C)c1noc(/C=C/c2ccc(C#N)cc2)n1 273681635 IHFQBACBVODRKZ-FBOQAHMBSA-N 253.305 3.625 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C[C@H](CC#N)c1ccccc1 361840846 YRXBTRNSKMFPCF-MAUKXSAKSA-N 297.402 3.519 30 20 CHED C=C(C)CCNC(=O)c1cc2cc(C)ccc2nc1C 452724322 QQFFIYJNJYZIRD-UHFFFAOYSA-N 268.360 3.548 30 20 CHED C=C(CC)CN[C@@H](CCCOC)c1ccc(F)cc1 453381792 XQLNYWDRDOHGIA-INIZCTEOSA-N 265.372 3.849 30 20 CHED N#CCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 273078620 XCGZHTYDLGVHBE-VXGBXAGGSA-N 297.185 3.517 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](Oc2ccccc2)C1 364070253 CDQSSRIRNKLJMP-DOTOQJQBSA-N 287.403 3.659 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 278837132 UMYIWDGPDVROMJ-IXKJSCDLSA-N 290.382 3.574 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H](C)C2CCC2)cc1C#N 457674065 MJEAFSLGQHEPFF-LBPRGKRZSA-N 286.375 3.720 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C)cc1NCC)OCC 276627256 NAQIFXBHXQNABI-MRXNPFEDSA-N 290.407 3.737 30 20 CHED C=CCC1(C(=O)N2CC(F)(F)C(F)(F)C2)CCCCC1 457929208 NKTQSBQCIZDNEF-UHFFFAOYSA-N 293.304 3.626 30 20 CHED C=CCOCCNC(=O)[C@H](CCC)c1cccc(Cl)c1 626405071 WXMKSZXFJOCGBS-OAHLLOKOSA-N 295.810 3.543 30 20 CHED CC(C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 540972437 ZKVLVLRIDGWWQE-VHSXEESVSA-N 297.185 3.515 30 20 CHED C[C@@H](CCC1CC1)NC(=O)c1ccc(C#N)c(Cl)c1 548288243 WUSHGWKXMMGSNE-JTQLQIEISA-N 276.767 3.520 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(C#N)s1)[C@H](C)CC 467202660 TVUAVYOGSDCMPY-PHIMTYICSA-N 264.394 3.659 30 20 CHED CC#CCCSc1ncc(-c2ccc(F)cc2)[nH]1 462406829 KOKMWGSGGBTLJQ-UHFFFAOYSA-N 260.337 3.721 30 20 CHED Cc1ccc([C@H](C)N(C)CCCSCC#N)c(C)c1 466726238 GZEFBKWEYJTFHY-HNNXBMFYSA-N 276.449 3.943 30 20 CHED C=CCCN(C)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C 466970979 KIKWARXJZWHCDR-MRXNPFEDSA-N 292.398 3.610 30 20 CHED CC(C)(C)c1cnc(/C=C/c2ccc(C#N)cn2)s1 280646301 NEPZVCGBMQYARL-VOTSOKGWSA-N 269.373 3.878 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC 281260009 GTERAYHBZVZCLI-HNNXBMFYSA-N 292.335 3.534 30 20 CHED Cc1ncsc1CCSCc1cc(F)ccc1C#N 284925602 BBPFDLVUTCPLNG-UHFFFAOYSA-N 292.404 3.938 30 20 CHED C=CCOc1ccccc1-c1nc([C@H]2CCCS2)no1 289153640 UBYYATXTHQNRTG-CYBMUJFWSA-N 288.372 3.870 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cnc(C3CC3)o2)c1 639665571 ZLMFCOSTQFMJKZ-UHFFFAOYSA-N 298.342 3.759 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@H]1c1ccc[nH]1 287778133 ADQCCLZWMVQCNG-MRXNPFEDSA-N 289.423 3.998 30 20 CHED C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 281146774 BCZYUYNNUAJLJJ-AEFFLSMTSA-N 298.430 3.780 30 20 CHED N#Cc1cc(F)c(NCCc2ccc(F)cc2F)c(F)c1 557698701 AVFSJFJSEGVUJL-UHFFFAOYSA-N 294.251 3.769 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(C1CC1)C1(C#N)CCC1 551284783 NNBSLUQCDACTLF-DZGCQCFKSA-N 274.408 3.640 30 20 CHED CC(C)c1scnc1NC(=O)c1ccc(CC#N)cc1 289274491 ZZVDGDAXYKYEBF-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)ccc1OCCC 467080991 JVLSOOAQGUOOTC-UHFFFAOYSA-N 281.783 3.777 30 20 CHED C=CCOCCCC(=O)N(CCC(C)C)C1CCCC1 463587747 SWJBCMWJWANCDQ-UHFFFAOYSA-N 281.440 3.787 30 20 CHED Cc1ccc(-c2csc(CN3CCC(C#N)CC3)n2)cc1 285899259 GSHNATFVPHHDGM-UHFFFAOYSA-N 297.427 3.854 30 20 CHED C[C@H](C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C)c1cccc(C#N)c1 462334408 JSLCEEXMDGXBRC-XSWJXKHESA-N 298.430 3.850 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1 555272453 KYALBHLEJSJDQS-CQSZACIVSA-N 290.455 3.850 30 20 CHED C[C@](C#N)(NC(=O)c1sccc1Cl)C1CCCCC1 552187987 BPGUYOGKNJCNBS-CQSZACIVSA-N 296.823 3.994 30 20 CHED CCC[C@@H](CC)NC(=O)c1cc(C#N)ccc1Cl 285167370 PZYUHXSZXFVOMI-LLVKDONJSA-N 264.756 3.520 30 20 CHED C[C@H](CCc1ccccc1)Nc1nc2c(cc1C#N)CCC2 387084042 XEHWUCRZKDVJCL-CQSZACIVSA-N 291.398 3.875 30 20 CHED C=Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 559843922 IOVLBYAVYPFBHQ-CQSZACIVSA-N 288.306 3.961 30 20 CHED C[C@@H]1CCN(C(=O)CCCC#N)c2ccccc2S1 291190795 PBOIMSBKRSSULX-GFCCVEGCSA-N 274.389 3.598 30 20 CHED Cc1cc(Nc2ncc([N+](=O)[O-])cc2C#N)ccc1C1CC1 475739272 MVAVWCWYTAXWOV-UHFFFAOYSA-N 294.314 3.791 30 20 CHED C#C[C@H](NCc1ncc(-c2ccccc2)s1)C(C)C 809685585 CHXMLIAZYBGJPD-AWEZNQCLSA-N 270.401 3.558 30 20 CHED C=C(Cl)CN[C@H](CC)c1nc(C(F)(F)F)cs1 298712828 AUBGQCSJBAFKQQ-SSDOTTSWSA-N 284.734 3.955 30 20 CHED C#CCCCCN[C@@H](COC)c1cccc(Cl)c1F 806147714 LLSUBOGHKRSPCO-AWEZNQCLSA-N 283.774 3.560 30 20 CHED C=CCn1cccc1C(=O)N(CC(C)C)c1ccccc1 553418842 YYVFQGXZHKSBIJ-UHFFFAOYSA-N 282.387 3.977 30 20 CHED CC#CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 801150212 NLBVNWHMTZESRY-UHFFFAOYSA-N 271.266 3.594 30 20 CHED C#CCC1(c2nc([C@@H](C)C3CC3)no2)CCCCC1 809442338 QMTZJANPXVFXGK-LBPRGKRZSA-N 258.365 3.808 30 20 CHED N#Cc1[nH]c(=NCc2ccc3sccc3c2)ccc1Cl 569399926 HKXWGOKTQZJQHH-UHFFFAOYSA-N 299.786 3.855 30 20 CHED C#C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)C(C)(C)C 807882270 YRJRUWDWQYMMIT-LBPRGKRZSA-N 288.778 3.599 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C2\CC[C@@H](C)C2)cc1 809258217 ODOMSPDUPDGXSC-NCWWNVCXSA-N 282.387 3.676 30 20 CHED CC(C)(C)CCCCC(=O)Nc1[nH]nc(C2CC2)c1C#N 290679486 VLRZGROXPDEVDN-UHFFFAOYSA-N 288.395 3.704 30 20 CHED Cc1ccc2c(c1)N(CCC(C)(C)C#N)C[C@H](C)O2 561675077 SRHWHOTULSKRAF-ZDUSSCGKSA-N 258.365 3.522 30 20 CHED CC(C)c1ccc(SCC(=O)N(C)C[C@@H](C)C#N)cc1 299254282 NJVXVPNZENWTGQ-ZDUSSCGKSA-N 290.432 3.520 30 20 CHED CC#CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 476287087 BZWNFUZEYCXELI-UHFFFAOYSA-N 273.420 3.513 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2CCO[C@@H](C)C#N)cc1 801922653 MUOCNVDWNGJLKA-BQFCYCMXSA-N 286.419 3.697 30 20 CHED C=C[C@@H](CC(=O)NCC1CC(F)(F)C1)c1ccccc1 298346153 SQDMTAPLVVDXKO-ZDUSSCGKSA-N 279.330 3.508 30 20 CHED Cc1nc(NC(=O)CC(C)(C)C#N)ccc1-c1ccccc1 290770503 BSKNOHTVTHTPSI-UHFFFAOYSA-N 293.370 3.935 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(SC)s1 565591691 VVNAMRDEDGLNQD-FZMZJTMJSA-N 283.462 3.541 30 20 CHED C=CCCCCCCNC(=O)N(CC)CC(=C)C 807570329 QWQXFDGULASKEA-UHFFFAOYSA-N 252.402 3.731 30 20 CHED CN(CCCCC#N)[C@H]1CCC[C@H]1c1ccccc1 297666920 ZNCWGUTXNOKLAP-IRXDYDNUSA-N 256.393 3.948 30 20 CHED Cc1cc(C(=O)/C=C/c2cn(C(C)C)nn2)cc(C)c1F 806573351 ILBSCJZYZPWSMB-AATRIKPKSA-N 287.338 3.511 30 20 CHED Cc1cccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1 647371757 YDKQJUHBNXYUSK-CYBMUJFWSA-N 282.368 3.819 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(C)cc2O)cc1 641987107 LXNBVLAMCKPEHN-UHFFFAOYSA-N 283.327 3.518 30 20 CHED CC(C)(CC(=O)O[C@@H](C#N)C1CCCCC1)C1CC1 815468688 GPBWXWPRAHERIL-AWEZNQCLSA-N 263.381 3.828 30 20 CHED C=CCCCCCCCNC(=S)NCC(F)(F)F 811701849 HNGIVDMNBAUHAR-UHFFFAOYSA-N 282.375 3.539 30 20 CHED CCC(=NN[C@H](C)c1ccccc1)c1ccc(F)cn1 814815304 SMVXJCUZMYJSCJ-GFCCVEGCSA-N 271.339 3.686 30 20 CHED OC[C@H](NN=C1CCCCC12CCCC2)c1ccccc1 814918829 BHZMHSVCYCESFS-INIZCTEOSA-N 286.419 3.800 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2cccc3cc[nH]c23)c1 567375935 OZXRZSWENHRETH-UHFFFAOYSA-N 295.729 3.945 30 20 CHED CC(C)(C)OC(=O)N[C@H]1CCCCCC1=NOCC1CC1 814244086 DATFBWGKZLJUDV-ZDUSSCGKSA-N 296.411 3.626 30 20 CHED C=CCC(C)(C)CNc1cc(C#N)ccc1C(C)=O 814369093 FLQITJZEPIVYRK-UHFFFAOYSA-N 256.349 3.775 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)Cc3ccccc32)CCC1 485530674 JNTPMLJYFRMMFO-AWEZNQCLSA-N 269.388 3.958 30 20 CHED Clc1cc(Cl)cc(C=NNC[C@H]2CCSC2)c1 811657051 CQMATCMHMHIVLS-SECBINFHSA-N 289.231 3.670 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N1CC(C)(C#N)C1 482633811 RKQCGJVQVYXDLT-HNNXBMFYSA-N 276.424 3.601 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 486831788 JYWPHQKJUVVHGD-SECBINFHSA-N 290.775 3.764 30 20 CHED CSCc1cnc(C=NN[C@H]2CCCCC2(C)C)s1 814918063 ZOQYXKBJCCSSRE-LBPRGKRZSA-N 297.493 3.898 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 573881663 XSALKFWRWGTODA-RLFYNMQTSA-N 295.467 3.888 30 20 CHED CC[C@@H]1CN(CCC(C)(C)C#N)c2ccccc2O1 573155304 GCJLYITVIAEXNG-CYBMUJFWSA-N 258.365 3.604 30 20 CHED CCc1cccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)c1CC 487615608 JXCXKKXYNRGLFB-ZDUSSCGKSA-N 299.418 3.967 30 20 CHED N#CCCCC(=O)Nc1ccc(-c2ccccc2)cc1 812447554 NBIQXLJRDDKHOH-UHFFFAOYSA-N 264.328 3.986 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2ccccc2C(=O)O)CS1 814769241 WTNHLAUJVNCQJK-ZDUSSCGKSA-N 292.404 3.704 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1 570571087 GJVYESPBNVRXKM-WSIVYLHMSA-N 296.414 3.769 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)CC1 574990224 OJYLFIOJVKTVQY-XJKSGUPXSA-N 262.397 3.567 30 20 CHED Brc1ccc(NN=C2CC[C@@H]2C2CCC2)cn1 814847487 POCWKSUMVCVQNX-LLVKDONJSA-N 294.196 3.822 30 20 CHED Clc1scc(C=NOC2CCC2)c1Cl 812235915 DBIQFPGOGGPSFV-UHFFFAOYSA-N 250.150 3.958 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(C)c1OC(F)F 818230730 RSUAYOAMYJHFHN-GXTWGEPZSA-N 294.345 3.687 30 20 CHED C=CCCC(=O)OCc1cc(Br)ccc1F 726650078 LXZLRSXQXUQZDK-UHFFFAOYSA-N 287.128 3.598 30 20 CHED Cc1ccccc1CCC(=O)OCc1ccccc1C#N 729013639 PWCSKJBMJXPGCS-UHFFFAOYSA-N 279.339 3.543 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](F)C2)CCCC1 578014261 GWLJYLGLTSZUNJ-QWHCGFSZSA-N 253.361 3.520 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@]1(C)OCCc2sccc21 572209169 PRVUPNGDNDAHMY-WOSRLPQWSA-N 279.449 3.726 30 20 CHED C=C[C@H](CO)N[C@@H](C)c1oc2ccc(C)cc2c1CC 658332745 HJZKSTZKKPVPKV-QWHCGFSZSA-N 273.376 3.501 30 20 CHED O=C(O)c1ccc(/C=C2\CCc3sccc3C2=O)cc1 726891165 GUZFQWUGLCDQDS-FMIVXFBMSA-N 284.336 3.659 30 20 CHED C=CCC(C)(C)c1noc(Cc2cc(F)ccc2OC)n1 573585411 VHUHDUBENNMWTH-UHFFFAOYSA-N 290.338 3.662 30 20 CHED C=CCN(C)C(=O)c1sc(C2CC2)nc1-c1ccccc1 491034770 KMWSVGIAUXFFKU-UHFFFAOYSA-N 298.411 3.946 30 20 CHED Cc1cccc2c1CCC2=NNc1nc2ccccc2n1C 729141674 CNQAUTQLQGSQTH-UHFFFAOYSA-N 290.370 3.644 30 20 CHED C=CCCCC[C@@H](C)NC[C@@](C)(O)c1cccs1 823904302 AEMMSIAJAWKSOZ-UKRRQHHQSA-N 267.438 3.680 30 20 CHED C#CCCCOc1cccnc1NCc1ccc(F)cc1 820599032 OBGLFSQLSGTAHW-UHFFFAOYSA-N 284.334 3.625 30 20 CHED C=CCCC1(c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)CC1 580376933 GBBFWVXJRGRGEX-UHFFFAOYSA-N 299.330 3.951 30 20 CHED C#CCCCCNC(=O)C(CC(C)C)CC(C)C 826882859 OVWUXXGPFXAXCS-UHFFFAOYSA-N 251.414 3.615 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C=C\c1cnccc1C 492488674 FNLXJCDDGZJTSV-SREVYHEPSA-N 298.411 3.680 30 20 CHED C#Cc1cccc(NC(=S)N2CCCCCCC2)c1 726435603 KVQFESWFSDSWQJ-UHFFFAOYSA-N 272.417 3.631 30 20 CHED CC[C@H](C#N)NC(=O)/C(C)=C\c1c(Cl)cccc1Cl 588472375 TZLLIIBUSZENGY-UJICNMFASA-N 297.185 3.815 30 20 CHED C=C(C)CCNCc1c(Cl)nc2cc(Cl)ccn12 824751430 WLKGZUPBDWMDMK-UHFFFAOYSA-N 284.190 3.697 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCc2ccc(Cl)s2)C1 660282208 ROQPQGFQJAVWJE-NSHDSACASA-N 298.839 3.899 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C(C1CCC1)C1CCC1 580493907 UHQHQDVMTPHTIV-OAHLLOKOSA-N 261.409 3.770 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)C(C1CCC1)C1CCC1 582449498 FAKJJAXMEMRXCK-KRWDZBQOSA-N 276.424 3.647 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(F)cc2)c1F 588619074 KUXFEVUVFUOZBD-YFHOEESVSA-N 274.266 3.870 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 820195648 WLRPKKDZGCDFSO-LBPRGKRZSA-N 257.333 3.765 30 20 CHED C=CCN=c1[nH]nc(S[C@@H](CC)c2ccccc2)s1 494075564 QBVUJBASLLYNRL-LBPRGKRZSA-N 291.445 3.801 30 20 CHED C#CCN(Cn1ccc(=S)c2ccccc21)C(C)C 905750126 SNFCVIZOPUSACA-UHFFFAOYSA-N 270.401 3.672 30 20 CHED C=CC[C@@H](NC(=O)N[C@H](CC)CCC)c1ccncc1 734664538 GNPVVOHDZIXZIE-HUUCEWRRSA-N 275.396 3.577 30 20 CHED CCC(Cc1ccc(C)cc1)=NNC(=S)NC(C)(C)C 731923925 KFHCCFLOYJSMFG-UHFFFAOYSA-N 291.464 3.566 30 20 CHED CCCCCN(Cc1ccc(F)cc1)C(=O)C#CC1CC1 837330402 BTXUEFYRGXZXSS-UHFFFAOYSA-N 287.378 3.758 30 20 CHED C[C@@H](CN(C)C(=O)CCCCCC#N)c1ccccc1 588156026 RMYIOEYOMSXRPS-HNNXBMFYSA-N 272.392 3.723 30 20 CHED CCCc1ccc(/C=C\C(=O)c2cn(C(C)C)nn2)s1 901531273 USHVJBOYDDYHBQ-HJWRWDBZSA-N 289.404 3.769 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(Cl)ncc1F 909850705 WUHIYVCJJDBNSA-UHFFFAOYSA-N 298.745 3.751 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 735171424 CACXWFSSHSYPSO-LBPRGKRZSA-N 293.386 3.756 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C1CCCC12CCC2 834949903 OLAJTINYIMKXBV-UHFFFAOYSA-N 289.335 3.726 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)OCCCC(C)(C)C#N 837846588 OEZFQCWJZDPPNA-OLZOCXBDSA-N 251.370 3.686 30 20 CHED C=CC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 731942011 DLCLWQIPMVTNQV-UHFFFAOYSA-N 280.824 3.935 30 20 CHED C=CCCCCCN(C)c1cc(Cl)nc(C)n1 739898844 MHJJNRDRUYHHIZ-UHFFFAOYSA-N 253.777 3.621 30 20 CHED C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H]2CCCC[C@@H]12 733610168 OOZUXKMTMAZJMJ-AYOQOUSVSA-N 298.430 3.990 30 20 CHED CC1(C#N)CCC(=NNc2cnc3ccccc3n2)CC1 834955174 QFZGPNPQTSNCRK-UHFFFAOYSA-N 279.347 3.502 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N(CCC#N)CC(C)C 734812398 OAJNTDNIBAULFR-MRXNPFEDSA-N 286.419 3.887 30 20 CHED CCc1ccc(CN(C)C(=O)CCCCCC#N)cc1 588252905 NIFKQLTUOGJMDJ-UHFFFAOYSA-N 272.392 3.681 30 20 CHED CCCCCCCCC(=O)NCC[C@@H]1CCCN(C)C1 838140903 SFARJXYKMQYVAZ-INIZCTEOSA-N 282.472 3.585 30 20 CHED C=CC(C)(C)COC(=O)Cc1nc(-c2ccco2)oc1C 835726565 SGKGLOBPTXDSFV-UHFFFAOYSA-N 289.331 3.541 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(C#N)ccc1F 830499509 XCDHZBKLHNPOEM-MLGOLLRUSA-N 288.366 3.738 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cccc(F)c2F)cc1 588386859 DSDQGXFIFMIPBC-HJWRWDBZSA-N 269.250 3.733 30 20 CHED N#CCc1cccc(NC(=O)N(C2CCCC2)C2CC2)c1 583677142 GHPMIBMAJRJZNQ-UHFFFAOYSA-N 283.375 3.692 30 20 CHED CCCCCCCOC(=O)[C@H]1CCCCN1C(=O)C(C)C 919600481 HYXIQXKUBZPNHV-OAHLLOKOSA-N 297.439 3.537 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)Cc2cc(F)ccc21 734305243 NPJOXAIBESCTFB-CSKARUKUSA-N 274.241 3.926 30 20 CHED CCOc1cccc(/C=N\[C@H](C)Cc2ccsc2)c1O 918711915 BXTCQLYUWZXRQA-HJPCULJESA-N 289.400 3.903 30 20 CHED CCCOc1ccc(CN(CC)CCC#N)c(C)c1 596983160 OTOLMEVLDDLHCP-UHFFFAOYSA-N 260.381 3.519 30 20 CHED CCCCCC1=CCCC1=NNc1nccc(OC)n1 914695741 FYIJAIIFMXHJBV-UHFFFAOYSA-N 274.368 3.554 30 20 CHED N#Cc1ccc(N(C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C2CCC2)cc1 598884299 CZRAMCJYIUKPDB-VKJFTORMSA-N 294.398 3.880 30 20 CHED CC#CCOC(=O)c1ccc(Oc2ccc(F)cc2)cc1 744604431 GTVXTQQGERFHEY-UHFFFAOYSA-N 284.286 3.798 30 20 CHED CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C#N)CC)o1 593483952 MAVBRYJWCLBFPW-HIFRSBDPSA-N 288.391 3.835 30 20 CHED Cc1cccc2[nH]c(COC(=O)c3ccc(C#N)cc3)cc12 749330651 YDHOFRMOYZQJQO-UHFFFAOYSA-N 290.322 3.705 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1ccc(F)cc1F 915977262 WJNKUPRTODAJIY-UHFFFAOYSA-N 296.267 3.757 30 20 CHED C=C[C@@](C)(CC)c1nc(CC2(CSC)CC2)no1 596608211 FFBYDLJZXQJHEB-ZDUSSCGKSA-N 266.410 3.609 30 20 CHED Cc1cncc(/C=C/C(=O)OCCC2(C#N)CCCCC2)c1 840336962 OSQGKQBPCNYYMN-AATRIKPKSA-N 298.386 3.811 30 20 CHED COc1ccc(O)c(/C=N/Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 917556871 QCRVNFXAOOFULT-ZTDCNHLUSA-N 285.343 3.736 30 20 CHED CC[C@H](c1ccccc1OC)N(C)Cc1ccc(C#N)cn1 593988503 IIIBKUCUXYCHCM-QGZVFWFLSA-N 295.386 3.545 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2cccc3c2CCCC3)cc1 917553140 SSXRZYTVWTVFCF-UHFFFAOYSA-N 295.342 3.920 30 20 CHED CC1(C)CCC(c2noc(CC3(C#N)CC3)n2)CC1 590279295 KXZJAGLAWWXUEK-UHFFFAOYSA-N 259.353 3.600 30 20 CHED CCC[C@@H](N[C@H](C#N)Cc1ccccc1)C(C)(C)C 591242790 KECTZTFVMBRLMU-JKSUJKDBSA-N 258.409 3.926 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)cc1C 849241849 OUPVOPMCRBIHGK-BQYQJAHWSA-N 280.371 3.806 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](CCC(C)C)C(C)(C)C 593473367 BGQRRKKWFKKFCP-QWHCGFSZSA-N 252.402 3.503 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](C)Sc1ccc(Cl)cc1 594093595 QLENNPMYVVYBSY-JQWIXIFHSA-N 296.823 3.581 30 20 CHED C=C(CNC(=O)c1cccc2c1CCC2)c1ccccc1 672480017 ADRCBPDGZUOJLL-UHFFFAOYSA-N 277.367 3.619 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCC(F)(F)C1 840273560 ALTZBWACUBPRNI-QMMMGPOBSA-N 291.223 3.572 30 20 CHED CN(Cc1ccc2ccccc2c1)C(=O)C#Cc1ccccc1 747200000 MLBGNVILZFBXDI-UHFFFAOYSA-N 299.373 3.850 30 20 CHED N#Cc1csc(CNc2ccc(OCC(F)F)cc2)c1 748238823 LHODVVOMDIWPEL-UHFFFAOYSA-N 294.326 3.876 30 20 CHED CCc1ccccc1NN=C(C)c1ccc([N+](=O)[O-])cc1 915051745 PRXDKRUWYRYHGP-UHFFFAOYSA-N 283.331 3.993 30 20 CHED CC(=NNc1ncccn1)c1ccc2c3c(cccc13)CC2 912974151 MWPGKOWAKHEFQV-UHFFFAOYSA-N 288.354 3.565 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(C)C 918063082 MUWUAAIJQCNWCM-OWCLPIDISA-N 278.440 3.951 30 20 CHED C=C(Cl)COC(=O)COc1cccc2ccccc12 916609954 JJSGKQYZDHWXGC-UHFFFAOYSA-N 276.719 3.514 30 20 CHED C=C[C@H](SC1CCC(C(F)(F)F)CC1)C(=O)OC 590742335 FCJYDWWIFRDSKE-RTBKNWGFSA-N 282.327 3.568 30 20 CHED CCc1ccc(CN(CC(C)C)C(=O)CCCC#N)cc1 592671323 ZRPLRFFQJYPRAB-UHFFFAOYSA-N 286.419 3.927 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 684939218 MTNZXTSMHLIRQI-KCQAQPDRSA-N 275.392 3.807 30 20 CHED C=CCN(C(=O)CCc1ccc([C@H]2C[C@H]2C)o1)C(C)C 915153414 KTZPSXATXMWLNK-HIFRSBDPSA-N 275.392 3.759 30 20 CHED CCCOc1cncc(-c2ccc(CC#N)s2)c1 596638267 UQADKKBKJUWKHD-UHFFFAOYSA-N 258.346 3.665 30 20 CHED CSc1ccc(OC(=O)c2ccc(C#N)s2)cc1 749319282 XNKFXPUOMOCFCF-UHFFFAOYSA-N 275.354 3.561 30 20 CHED Clc1cc(C=NNc2ccccc2)cc2c1OCCO2 917023052 VXLVSASMQRGCIV-UHFFFAOYSA-N 288.734 3.557 30 20 CHED CC(C)CCOc1ccc(NC(=O)C(C)(C)C#N)c(F)c1 594200043 YDDYLCJQZGFVPB-UHFFFAOYSA-N 292.354 3.739 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cccc(OC)c1O 846158765 KMNQHZATIWKEGA-QWHCGFSZSA-N 263.381 3.796 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H](C)[C@H]1CCOC1 743652425 VBIXZBNYFVKTKO-HOTGVXAUSA-N 298.471 3.803 30 20 CHED CC(C)CC(=NNc1ncc(F)cn1)c1ccc(F)cc1 844588074 LJKBOGIUFAORBG-UHFFFAOYSA-N 290.317 3.617 30 20 CHED C/C(=C\C(=O)OCc1ccc(OCC#N)cc1)C(C)(C)C 745597802 LHGAISLDPAIJHB-ACCUITESSA-N 287.359 3.625 30 20 CHED C=CCN(C(=O)N[C@H](C)C1CCCCC1)C(C)C 745837683 IUHZLHMANCVCCC-CYBMUJFWSA-N 252.402 3.561 30 20 CHED N#CC1(CC(=O)N2CCc3cccc(F)c32)CCCCC1 597411722 ZOAZUIIACBWEMW-UHFFFAOYSA-N 286.350 3.579 30 20 CHED CCCCCCCCCN(C)CN1CCSC1=O 921052496 YKPZRUFFZBTSPA-UHFFFAOYSA-N 272.458 3.795 30 20 CHED CC(C)(C#N)Cc1cccc(-c2cncc(F)c2)c1 844226944 KTZPZKPUAKADQO-UHFFFAOYSA-N 254.308 3.980 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)N[C@@H](C)CC(C)(C)C#N 925710073 VZEHGPOOSDXCEL-XEZPLFJOSA-N 292.398 3.820 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cc(C)n(C)n2)cc1C 840712883 IEUHTOXXSDTQQZ-SREVYHEPSA-N 268.360 3.550 30 20 CHED CC(=NNc1ncc(F)cc1F)[C@H]1C[C@H]2C=C[C@H]1CC2 842536747 YRNNDFSYUDACQL-GMXVVIOVSA-N 277.318 3.750 30 20 CHED CC(C)(C)c1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1 929143866 YBDCPHGZGPOVKR-CYBMUJFWSA-N 285.391 3.752 30 20 CHED C=CC[C@@H]1N(Cc2nnsc2Cl)CCCC1(C)C 683528299 QZWTXSMSLGDMTN-NSHDSACASA-N 285.844 3.758 30 20 CHED CCc1ncc(C=NNc2cc(C)ccc2C)s1 752164650 WCVVJGOKCCIQIU-UHFFFAOYSA-N 259.378 3.768 30 20 CHED Cc1ccsc1C(=O)O[C@H](C)CC(C)(C)C#N 851213995 MQESKTDLJWIRAM-SNVBAGLBSA-N 251.351 3.542 30 20 CHED CC(C(=O)OCc1ccc(F)c(C#N)c1)=C1CCCC1 758954816 DZHBAJSVGODBDX-UHFFFAOYSA-N 273.307 3.631 30 20 CHED CC(C)C#CC(=O)NCC(c1ccccc1)c1ccccc1 854252658 BJORPJDCSWWFHU-UHFFFAOYSA-N 291.394 3.594 30 20 CHED COc1cccc(COC(=O)CCCCCC#N)c1C 851460124 GEBVKTNRGFCUED-UHFFFAOYSA-N 275.348 3.521 30 20 CHED N#Cc1ccc(CNc2cnn(C3CCCC3)c2)c(F)c1 922625617 WGKBIDXWTUVPHL-UHFFFAOYSA-N 284.338 3.621 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CC[C@H]2CC2(Cl)Cl)C1 851083625 KTVXKFHGYNOHEE-OUAUKWLOSA-N 290.190 3.586 30 20 CHED CCCc1ccc(C=NN[C@@H]2CCOC(C)(C)C2)s1 857209803 OPDZWOKHUDRCRK-GFCCVEGCSA-N 280.437 3.582 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccc(F)cc1)C(C)(C)C 857650674 BXXAJKKQTZSWTC-ZDUSSCGKSA-N 277.383 3.817 30 20 CHED CC(C)C#CC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 854430400 IGVVLVYMPSCHGQ-DOTOQJQBSA-N 269.388 3.646 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H]1SCCc2ccccc21 925229455 GIKDBIPCJWYOMQ-BBRMVZONSA-N 288.460 3.935 30 20 CHED C=CCC1(NCc2ccnc(N(C)C)c2)CCCCC1 859745798 XKHAGRXIJMPJIM-UHFFFAOYSA-N 273.424 3.516 30 20 CHED CCC(Cc1ccc(C)cc1)=NO[C@H]1CCCCO1 755823716 NQUUOKMNLRGHBP-INIZCTEOSA-N 261.365 3.847 30 20 CHED COC(=O)c1cccc(NN=C(C)CC(C)(C)C#N)c1C 853396420 JADQGWJKVYUXFH-UHFFFAOYSA-N 287.363 3.509 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@](O)(CC)c1ccccc1 856375249 RYPWJMSHNZIXOT-SFHVURJKSA-N 289.419 3.535 30 20 CHED C=C(Br)CN(C)c1ccc(OC)c(Cl)c1 758142281 LCPMMLJCIXGPIA-UHFFFAOYSA-N 290.588 3.693 30 20 CHED Cc1cccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)c1 752873339 CSRHZNWCPGHCLE-VMPITWQZSA-N 285.274 3.938 30 20 CHED CCCCCCCCNC(=O)N[C@H](C)c1nnc(C)s1 759287732 BFRHUVLHEOTVKZ-LLVKDONJSA-N 298.456 3.567 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)Cc2ccc(F)cc21 755598858 LCQGSMSIIFOJMP-QDEBKDIKSA-N 274.241 3.926 30 20 CHED C#CCCCC(=O)N1CCc2ccccc2[C@H]1C(C)C 758702539 SFQFKWAYOYGKMT-GOSISDBHSA-N 269.388 3.572 30 20 CHED C=CCCSCCNC(=O)OCc1ccccc1C 859217253 BNEZWOJWHCWWQS-UHFFFAOYSA-N 279.405 3.531 30 20 CHED C[C@H](C(=O)O[C@H](C#N)C1CCCCC1)c1ccccc1 751985597 GDGCMVWHRFRHMU-XJKSGUPXSA-N 271.360 3.806 30 20 CHED C#CCCCNC(=O)N1CC(CC)(CC)c2ccccc21 752681456 LSBCRVZXJWXCTP-UHFFFAOYSA-N 284.403 3.687 30 20 CHED C#CCNc1ccc(Oc2ccccc2C#N)c(F)c1 754313540 HWVYPSFULIDSFK-UHFFFAOYSA-N 266.275 3.535 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1ccccc1CC#N 768836227 RHANTQPTNOJZEJ-UHFFFAOYSA-N 298.386 3.558 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc2c(c1)COC2 769110430 FJRYVEBOONWIER-UHFFFAOYSA-N 293.410 3.948 30 20 CHED CC(C)c1cc(C(=O)OC[C@H](C)C#N)c2ccccc2n1 765960984 SCRNGOAZUVNNNN-GFCCVEGCSA-N 282.343 3.675 30 20 CHED CC[C@@H]1C[C@H](C)CN1Cc1ccc(N(C)CCC#N)cc1 769446918 DRXUMSCLHBPIRI-DOTOQJQBSA-N 285.435 3.657 30 20 CHED CC1(C)C(=NNCC(F)(F)C(F)(F)F)[C@H]2CCC[C@H]21 863183154 NCTHWXUPNVNNMK-JGVFFNPUSA-N 284.272 3.586 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1nc(-c2ccccc2)no1 766012111 IGZVAIJFYWCSGG-LLVKDONJSA-N 284.363 3.961 30 20 CHED C[C@@H](NN=Cc1ccn(-c2ccccc2)n1)c1ccccc1 766695824 AHIUPBCYBVGLSH-OAHLLOKOSA-N 290.370 3.557 30 20 CHED CC(C)CN(CCC#N)Cc1cccc2c1OC(C)(C)C2 768153188 AMOAHHYSUAHWJB-UHFFFAOYSA-N 286.419 3.772 30 20 CHED CCC(C)(C)c1noc([C@H](C)Oc2ccc(C#N)cc2)n1 867178971 YSRXBWPKBWIVOW-NSHDSACASA-N 285.347 3.769 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1ccc(C)cc1C 1117817795 AEHZBLIQOGBYJY-UHFFFAOYSA-N 284.384 3.903 30 20 CHED CCCCCCCNC(=O)[C@H]1CCCC(F)(F)C1 862357444 VDNUHPNHSSBLKN-LBPRGKRZSA-N 261.356 3.899 30 20 CHED C=CCC[C@H](CC)NC[C@](C)(O)c1ccccc1Cl 765673954 CERSGUXXMWVDMN-BBRMVZONSA-N 281.827 3.882 30 20 CHED COc1cccc(NN=Cc2ccc(F)cc2Cl)c1 767761068 HEWOTTSGYFJEKM-UHFFFAOYSA-N 278.714 3.934 30 20 CHED Cc1sc(Cl)nc1C(=O)O[C@@H](C#N)C1CCCCC1 763290219 UYGXKXNJTKKKCV-JTQLQIEISA-N 298.795 3.734 30 20 CHED CCCC1CCC(C=NOC2CCOCC2)CC1 774435882 KDILFDQBUSQTOU-UHFFFAOYSA-N 253.386 3.774 30 20 CHED Cc1ccccc1C1(C(=O)OCCC(C)(C)C#N)CC1 776382645 XIPYPKUMAFCLAQ-UHFFFAOYSA-N 271.360 3.510 30 20 CHED CC(C)Oc1ccc(NC[C@@H](C)CCC#N)cc1C#N 877176659 OSBOFZJKYYKPMK-ZDUSSCGKSA-N 271.364 3.697 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2cc(Cl)ccn2)o1 777907419 ULOYXGLIDXMGCW-BXKDBHETSA-N 275.739 3.897 30 20 CHED Fc1ccc(C=NOCCC(F)(F)F)c(Cl)c1 777461296 WQPUZUMAFKTEQG-UHFFFAOYSA-N 269.625 3.782 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)Cc1ccccc1CC#N 772907079 AOXLBJFCFVQMRB-HNNXBMFYSA-N 298.430 3.722 30 20 CHED N#CCC1(COC(=O)[C@@H]2CCc3c(Cl)cccc32)CC1 776095086 VLHLFPIATKLWEG-CYBMUJFWSA-N 289.762 3.607 30 20 CHED Fc1ccc(C=NNc2cc(Cl)ccc2Cl)cn1 777438623 HXBKGXYKJNZERE-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C#CCCCCCC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 779855883 CPJAFLKAXUAPMZ-ZFWWWQNUSA-N 273.376 3.603 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)OCCC(C)(C)C#N 776379095 LIDQZGDOIXDHGF-STQMWFEESA-N 251.370 3.686 30 20 CHED C[C@H](OC(=O)C#Cc1ccccc1)c1c(F)cccc1F 773459524 FATCOOKDMIRAFA-LBPRGKRZSA-N 286.277 3.621 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 779968428 SIUNLBVUQWOVMH-SJLPKXTDSA-N 299.414 3.559 30 20 CHED Fc1ccc(C=NNc2ccccc2OC(F)(F)F)cn1 777452694 GWRGUZUIUTYQRS-UHFFFAOYSA-N 299.227 3.565 30 20 CHED C#CCCCN[C@@H]1CCCC[C@H]1Cc1ccccc1 775683812 ZMLMUAJMRQRMBH-ZWKOTPCHSA-N 255.405 3.791 30 20 CHED Cc1ccc(F)cc1/C=C1\Cc2ccccc2C1=O 777912928 QHKVQDVFZMTGHN-NTEUORMPSA-N 252.288 3.957 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(CCCCC)cc1 770057114 MPHROCTYGVZUIK-CQSZACIVSA-N 272.392 3.905 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)cc1 1129768490 CXWCIVLIIYXTNH-GJZGRUSLSA-N 270.376 3.503 30 20 CHED C#CCCCCCC(=O)N[C@](C)(C#N)CCc1ccccc1 779986962 QQOUXOGHBYEFIM-IBGZPJMESA-N 296.414 3.601 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 1120813707 LBLIWLUYKLYARK-ZACQAIPSSA-N 293.451 3.785 30 20 CHED Cc1csc([C@H](C#N)C(=O)CCCc2ccsc2)n1 783339764 OCWXOFFJGIUZHR-GFCCVEGCSA-N 290.413 3.712 30 20 CHED C=CCC[C@@H](C(=O)OCC(=O)CC1CC1)c1ccccc1 784827121 ZOAFCXQJNUSLLI-QGZVFWFLSA-N 286.371 3.649 30 20 CHED Clc1csc(C=NNc2ncccc2Cl)c1 782207493 XLAWULOKKANJNZ-UHFFFAOYSA-N 272.160 3.896 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@H]2c2ccccc2Cl)n1 881829532 OSYUPTAXODKNIA-HNNXBMFYSA-N 298.777 3.652 30 20 CHED CC(C)(C)[C@H]1CCN1C(=O)N[C@H](CCC#N)c1ccccc1 1123529906 XMCJEPWDEIJZDY-HZPDHXFCSA-N 299.418 3.861 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1cccc(C)c1 782483714 SBBGPEOMHACOIU-PBHICJAKSA-N 276.376 3.828 30 20 CHED Cc1cc(NCc2ccc(C#N)cn2)c2cccc(F)c2n1 780612976 PFHKVRQOXNGARE-UHFFFAOYSA-N 292.317 3.561 30 20 CHED Cc1ccc(F)cc1CN1CCc2c(C#N)cccc21 1460271903 QZLXYNOFUZDBQP-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CCOc1ccccc1C=NOCc1ccc(CC#N)cc1 784044012 INICVZXCXRAJBG-UHFFFAOYSA-N 294.354 3.702 30 20 CHED C=C(C)[C@@H](CC(=O)N1Cc2ccccc2[C@@H]1CC)OCC 890613195 XCMNFJATTSMEND-DLBZAZTESA-N 287.403 3.851 30 20 CHED C[C@H]1CCC(=NNc2cc(Cl)ccn2)[C@H](C)C1 783862571 NDDPKGYFWJKKIZ-VHSXEESVSA-N 251.761 3.959 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc2ccccc2o1 781821998 BXBLBHTVGJWDEC-UHFFFAOYSA-N 271.316 3.920 30 20 CHED C#CCC1(C(=O)N2CC[C@H](C)C3(CCC3)C2)CCCCC1 788236967 AVKLEBFKZOGKPC-INIZCTEOSA-N 287.447 3.999 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1ccoc1Cl 799444183 MLMGTZXDASQOEU-UHFFFAOYSA-N 275.691 3.586 30 20 CHED CSCCON=C(C)c1ccc(F)c(Cl)c1 794573713 HVZNEYIPTGDLCJ-UHFFFAOYSA-N 261.749 3.583 30 20 CHED Oc1ccccc1/C=N/C[C@H]1CCC2(CCCCC2)O1 790100368 RYHMPVTVEIJJFI-GYZOOYGHSA-N 273.376 3.693 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](C)c1ccc(SC)cc1 798546378 VVZCEJYTNNRTBJ-OCCSQVGLSA-N 290.432 3.571 30 20 CHED C=CCCCOC(=O)Cc1coc2cc(C)ccc12 735529340 WNUULDUFTNWCKB-UHFFFAOYSA-N 258.317 3.793 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 798494913 MUOXTOUBDVITJP-VIFPVBQESA-N 297.742 3.724 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2CC23CCC3)s1 797571436 RHJTWWSATJIPLE-WDEREUQCSA-N 288.416 3.807 30 20 CHED CC[C@H]1CC[C@H]1Nc1cccc(OCCCC#N)c1 562055273 SFBFWVBCCBKBAK-XJKSGUPXSA-N 258.365 3.970 30 20 CHED COCC(C)(C)C/N=C/c1cc(Cl)cc(Cl)c1O 793653874 JHLPYFLTMUDYDK-OMCISZLKSA-N 290.190 3.791 30 20 CHED C=CCN(C(=O)c1cc2cc(C)ccc2[nH]1)C(C)C 728868343 ILJFCPFITIKXCG-UHFFFAOYSA-N 256.349 3.513 30 20 CHED N#Cc1c[nH]ccc1=Nc1cccc(-c2ccccc2)c1 1214013238 HLBMYVXHXKLCRR-UHFFFAOYSA-N 271.323 3.786 30 20 CHED CC(C)CN(CCC#N)CCSc1ccccc1F 755668537 DQBYGJXWWIACSW-UHFFFAOYSA-N 280.412 3.789 30 20 CHED C#CCCCCC(=O)N[C@@H](C)Cc1ccccc1Cl 692929398 YETGQUHSCBANMD-ZDUSSCGKSA-N 277.795 3.581 30 20 CHED CC(C)c1ncc(CN[C@H](C)c2cccc(C#N)c2)s1 758486772 QZCDJGKYGKOBOE-GFCCVEGCSA-N 285.416 3.989 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NOC(C)(C)C)c1 1319582192 BQRSDUQTXSSPMO-UHFFFAOYSA-N 257.337 3.534 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cncnc1C 1317909546 VHWAMVSBQUMNPW-ZDUSSCGKSA-N 277.412 3.511 30 20 CHED C#Cc1cccc(NC(=O)C(F)(F)c2ccccc2C)c1 1319601316 KPQWIQPGVMHOTM-UHFFFAOYSA-N 285.293 3.707 30 20 CHED N#CC1(CSc2ncc(-c3ccccc3)o2)CC1 1319995007 VXLDHMHTPSCNBG-UHFFFAOYSA-N 256.330 3.737 30 20 CHED C=C(C)[C@@H](CC(=O)NC(C)(C)C1CCCCC1)OCC 1319490817 QQUUWCHRIDNHEW-OAHLLOKOSA-N 281.440 3.833 30 20 CHED N#CCc1cccc(NCCCc2ccc(Cl)cc2)n1 1320656587 SPQPPYDZDZTROR-UHFFFAOYSA-N 285.778 3.846 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1-c1nnc(CC)o1 1326079751 NXRGOWNXVHXXJD-UHFFFAOYSA-N 298.264 3.883 30 20 CHED C=CCOc1ccc(CNC(=N)Nc2ccc(C)cc2)cc1 1327771406 COFQCTROEZICBG-UHFFFAOYSA-N 295.386 3.696 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C)c(OC(F)F)c2)CC1 1332901231 DLCSYYNDOHJJSV-UHFFFAOYSA-N 296.317 3.780 30 20 CHED C[C@H](CCO)Sc1cc(C(F)(F)F)c(F)cc1C#N 1336527112 KOZLEMNCYAFINP-SSDOTTSWSA-N 293.285 3.579 30 20 CHED C[C@H](OC(=O)[C@H]1CC[C@H](C)CC1)c1ccc(C#N)cc1 1265620373 IFCODTOACDWNRZ-XEZPLFJOSA-N 271.360 3.989 30 20 CHED C=C(CC)C(=O)Nc1cc(Cl)ccc1O[C@@H](C)COC 1349551229 XQWWZFZGRRGXMA-NSHDSACASA-N 297.782 3.658 30 20 CHED C=C(CC)C(=O)Nc1ccc(Br)c(F)c1C 1347822478 UQXDRKSUESOFFU-UHFFFAOYSA-N 286.144 3.801 30 20 CHED C=C(CC)C(=O)Nc1ccccc1OC1CCCC1 1346293492 MUXQTRNCPLAKKT-UHFFFAOYSA-N 259.349 3.913 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc(F)c(C)c1 1267527358 UNFIDJSRSSXCLO-CQSZACIVSA-N 287.290 3.907 30 20 CHED O=C1/C(=C\c2cccs2)COC/C1=C\c1cccs1 69936 GEWCSDVIGVPBJG-NTLHZVPKSA-N 288.393 3.876 30 20 CHED C=C(C)CCC(=O)N1CCC(COc2ccccc2)CC1 1357897694 MCTDIUINAYYLIT-UHFFFAOYSA-N 287.403 3.660 30 20 CHED Cc1cc2cc(NC(=O)c3cc(C#N)ccc3C)ccc2[nH]1 1290848460 ZDSIRDVSJQGLBQ-UHFFFAOYSA-N 289.338 3.909 30 20 CHED CC1(C)C[C@]1(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 1528079447 BLDORUJEXLWRHK-IDHHARJASA-N 297.398 3.980 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1459267202 IZTWBSJQBVJMIO-RRFJBIMHSA-N 278.440 3.990 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1nncc2ccccc12 1524792781 GJSIFXWYBZLUSQ-GFCCVEGCSA-N 270.332 3.531 30 20 CHED Cc1ccc2c(C(=O)Nc3cccc(C#N)n3)csc2c1 1461150930 RRGIIFYZEKXCDG-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CN(CC#Cc1ccc(Cl)cc1)c1ccccc1C(=O)O 1606075748 DJMUFONRMBVWEI-UHFFFAOYSA-N 299.757 3.526 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1sccc1C#N 1528587303 ROQUUKXBTBMABY-OCCSQVGLSA-N 290.432 3.956 30 20 CHED C[C@@H]1CN(c2nc(C#N)c(Cl)s2)c2ccccc21 1472811975 VQLZFGRZKZNPCS-MRVPVSSYSA-N 275.764 3.923 30 20 CHED N#CCc1cccc(Nc2ncnc3sccc23)c1 1472784975 IEWVGPPFHBKUEZ-UHFFFAOYSA-N 266.329 3.501 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2c1cccc(C#N)n1 1559172052 OYGUBFBDPTYYBK-UHFFFAOYSA-N 277.371 3.945 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H](C(C)(C)C)C1 1559788164 XCRRQVFWBPHSCB-MRXNPFEDSA-N 286.419 3.825 30 20 CHED CSC1(CNc2c(C#N)cnc3ccccc23)CCC1 227986805 GJEWBGQDDBISRX-UHFFFAOYSA-N 283.400 3.804 30 20 CHED C=C(CNCc1ccc(OC)cc1F)c1ccccc1 1657111774 UZXNDIATMVOCAY-UHFFFAOYSA-N 271.335 3.637 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1ccc(F)c(C#N)c1 229747940 IHWHLVQJOWDADF-LLVKDONJSA-N 286.375 3.878 30 20 CHED C[C@@H](Sc1cccnc1C#N)c1ccc(C#N)cc1 1651984100 OEYXHCSWWNQVGM-LLVKDONJSA-N 265.341 3.678 30 20 CHED Cc1c([C@H](C)NCc2cccc(C#N)n2)oc2ccccc12 1657997721 ZJSUGJUEPMGMEK-ZDUSSCGKSA-N 291.354 3.859 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)O[C@H]2CCC[C@H](C#N)C2)C1 1583566701 ZOFNSJIGACAUIP-ZQNQSHIBSA-N 263.381 3.684 30 20 CHED CC[C@H](C)[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)OC 1659042429 RVPKONXNCZIPKZ-KXBFYZLASA-N 298.430 3.708 30 20 CHED Cc1ccc(C[C@@H](C)Nc2cc(C)c(C#N)cn2)c(C)c1 1651519019 DVJAJGBRLZVFIL-OAHLLOKOSA-N 279.387 3.922 30 20 CHED CC(C)C1(C)CCN(Cc2ccc(F)c(C#N)c2)CC1 1654221580 MCGLVCNKJLBKCR-UHFFFAOYSA-N 274.383 3.955 30 20 CHED CC(C)(C)CCCC(=O)Nc1cc(C#N)c(F)cc1F 1595653266 SDKVRLLCOICIPI-UHFFFAOYSA-N 280.318 3.991 30 20 CHED O=C(O)c1cccc(NN=C2CCC3(CC2)CC3(F)F)c1 1776037443 IHNNASABMRMINQ-UHFFFAOYSA-N 294.301 3.752 30 20 CHED CCC1(CC)CCC(NC(=O)N2CCC[C@H](C#N)C2)CC1 1682007689 SYBSBVCXPWKMEG-CQSZACIVSA-N 291.439 3.681 30 20 CHED C=C1CCC(C(=O)Nc2cc(C)c(C(=O)O)c(F)c2)CC1 1776145955 ANUCLPRPFDDAHV-UHFFFAOYSA-N 291.322 3.517 30 20 CHED Cn1cc(CNC2CC(C)(C)CC(C)(C)C2)cc1C#N 232315806 GBVWFQFCERYIOU-UHFFFAOYSA-N 273.424 3.591 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cccnc2)cc1 206086626 VSHSEKAPTCXFIC-FLIBITNWSA-N 251.329 3.930 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)ccc1-n1cc(C)cn1 158654862 BWLCAUWKEYMARP-CQSZACIVSA-N 298.390 3.575 30 20 CHED C=C(Cl)CNCc1cnc(-c2cccs2)s1 166098423 IESBVBFZPCBQSK-UHFFFAOYSA-N 270.810 3.714 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc(Cl)ccc1OC(C)C 151815247 GKSXPIHMQRWWQJ-OAHLLOKOSA-N 294.782 3.549 30 20 CHED COc1cc(C#N)ccc1OC(=O)C1(CC(C)C)CCC1 151914614 FDHJSJMMFMIUPX-UHFFFAOYSA-N 287.359 3.689 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(C)cc1OCC 153138079 FEKMTVZKIMHBIO-UHFFFAOYSA-N 287.403 3.778 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1cccnc1-c1ccccc1 157165357 RXSYAGAKCHHVSX-ZDUSSCGKSA-N 294.358 3.514 30 20 CHED C#CCCCCNC(=O)Nc1cccc(CC(F)(F)F)c1 154921776 YZOFFUMBZQXGST-UHFFFAOYSA-N 298.308 3.716 30 20 CHED COc1cc(C(=O)/C=C\c2cccc(F)c2F)ccc1O 209921479 GKXPKKPXDBCGSQ-ALCCZGGFSA-N 290.265 3.575 30 20 CHED C#C[C@H](NC(=O)c1ccc(C(F)(F)F)s1)C(C)(C)C 807883096 FYBUAJRQIAEVEI-VIFPVBQESA-N 289.322 3.545 30 20 CHED C=CCC1(NC(=O)c2ccc(Cl)nc2C)CCCC1 855927416 MVSDGZMGEQNTQN-UHFFFAOYSA-N 278.783 3.662 30 20 CHED N#Cc1ccc(NCC2(O)CCCCCC2)cc1Cl 37886055 JKETWXPSGAGKKR-UHFFFAOYSA-N 278.783 3.709 30 20 CHED N#Cc1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1Cl 301822060 MMIYKWBGNWJHAI-BPLDGKMQSA-N 288.778 3.581 30 20 CHED Cc1cc(N[C@H](C)CCc2ccccc2)cc(C#N)n1 308280714 RUKAVRVKVNTHAS-CYBMUJFWSA-N 265.360 3.695 30 20 CHED C=CCCCN[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 309872437 RXGVDPYEOAXSIZ-LSDHHAIUSA-N 296.455 3.578 30 20 CHED N#Cc1cc(F)cc(OCC(=O)c2cccc(Cl)c2)c1 312526932 FKAQNWLBKZDVIK-UHFFFAOYSA-N 289.693 3.612 30 20 CHED C=CCC(C)(C)CNc1ncnc2sc([N+](=O)[O-])cc12 312619491 ICLUERJDLUUQJT-UHFFFAOYSA-N 292.364 3.614 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CC2CCC1CC2 312806257 RWHHVYTUMMECJE-UHFFFAOYSA-N 280.293 3.956 30 20 CHED C#C[C@@H](NC(=O)c1cc2cc(C)ccc2o1)C(C)(C)C 702236116 ITSIEBKSSQRXMO-OAHLLOKOSA-N 269.344 3.519 30 20 CHED C[C@@H]1CCC[C@H](CNc2ccc(OCC#N)cc2)C1 89604773 KCQIDAVUYAWPEH-KGLIPLIRSA-N 258.365 3.827 30 20 CHED C=CCN(Cc1ccccc1)CC1CC(F)(F)C1 450229398 XHJQNSDUMKCFTN-UHFFFAOYSA-N 251.320 3.720 30 20 CHED Cc1ccc(CN(C)c2nccc(C#N)c2Cl)s1 342054811 ACEIPAJGUHFMEI-UHFFFAOYSA-N 277.780 3.613 30 20 CHED N#CCc1ccc(C[S@](=O)c2ccc(Cl)cc2)cc1 342114267 CFKVHCQOTZSMSW-IBGZPJMESA-N 289.787 3.714 30 20 CHED C#CCN(C(=O)c1cc(SC)ccc1Cl)C(C)C 688860778 PNHHRQDEVKTWIL-UHFFFAOYSA-N 281.808 3.546 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 397676953 KWOOUAVKLWIHQD-SNVBAGLBSA-N 297.185 3.759 30 20 CHED Brc1cccc(C=NNCc2ccccc2)c1 916343851 JYSSEXZWKOPZRW-UHFFFAOYSA-N 289.176 3.573 30 20 CHED C=C(Cl)CS[C@@H]1CCCN(Cc2ccccc2)C1=O 853783641 ODPUVNNNMSTFMV-CQSZACIVSA-N 295.835 3.663 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2ccc(O)cc2)c1 7718055 MURJYZAQQDAVPE-IZZDOVSWSA-N 280.323 3.853 30 20 CHED CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 7724195 PHRKAVZMDSYXOD-CYBMUJFWSA-N 294.354 3.527 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1 55639133 JLSKXELPAXCTMQ-ZDUSSCGKSA-N 294.354 3.988 30 20 CHED C[C@H](c1ccccc1)N(C)CCOc1cccc(C#N)c1 51428948 WKPPRKHPJPTSJN-OAHLLOKOSA-N 280.371 3.630 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ncccc1C#N)CCC2 179236639 QADMASRYZDJDAG-INIZCTEOSA-N 263.344 3.751 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CC(C)(C)c2ccccc2)C1 116801175 WNOFJWXVGNYPJE-HNAYVOBHSA-N 298.430 3.943 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1C 105308802 QVWWCNLUUHDXHG-PBHICJAKSA-N 299.418 3.667 30 20 CHED CCc1nc(C)cc(Oc2ccc(C#N)cc2Cl)n1 341371896 MEHGPFZTHHSZLY-UHFFFAOYSA-N 273.723 3.665 30 20 CHED C=CCCCS[C@@H](C)C(=O)Nc1c(F)cccc1F 172215687 LYSDBOWYFDJTEO-JTQLQIEISA-N 285.359 3.991 30 20 CHED C=CCCO[C@H](C)c1nc(C2CCCCC2)no1 109529142 SLRNSXFANZLGRV-LLVKDONJSA-N 250.342 3.771 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)cc1F 109783240 HVQZAQJLIGLEDN-LBPRGKRZSA-N 284.334 3.596 30 20 CHED C=CCNC(=O)Nc1ccc(C)cc1OCc1ccccc1 59357964 PKOOMJIODJOWCL-UHFFFAOYSA-N 296.370 3.882 30 20 CHED CCC1CCC(N(C(=O)NCCCCC#N)C2CC2)CC1 178080541 GTYSAHZGPBTXCF-UHFFFAOYSA-N 291.439 3.823 30 20 CHED CSCc1ccc(NC(=O)C2(C#N)CCCC2)cc1 66551402 NSULYKKVSODPCG-UHFFFAOYSA-N 274.389 3.572 30 20 CHED CCCCCCCOC(=O)c1cc2ccccc2oc1=O 111907789 ZNRVFYKFNOYJND-UHFFFAOYSA-N 288.343 3.920 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cc2ccccc2s1 176797168 MJAXCOHTGPQACB-LLVKDONJSA-N 259.330 3.606 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCC[C@@H]2CCCCO2)c1 302480778 YCFXBACSDNDRBD-LBPRGKRZSA-N 298.308 3.948 30 20 CHED N#C[C@H](C(=O)c1cccc2ccsc12)c1ccccn1 343909732 AUSDPMJTXRULDM-ZDUSSCGKSA-N 278.336 3.786 30 20 CHED N#Cc1c(F)cccc1Oc1ccc(C(F)(F)F)cn1 302644091 FIVSLLYPVOBHHV-UHFFFAOYSA-N 282.196 3.903 30 20 CHED Cc1ccc2c(CCNc3nc(C)ccc3C#N)c[nH]c2c1 301892902 OSOHXNMAPQZUEC-UHFFFAOYSA-N 290.370 3.706 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccccc1Br 129156168 JASNDSCZLFAMCF-JTQLQIEISA-N 281.197 3.649 30 20 CHED C[C@H](CC1CCCC1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 114617347 HHZWFUMKIBGFCG-TZMCWYRMSA-N 295.386 3.956 30 20 CHED Cc1oc2ccc(NC(=O)C(C)(C)C#N)cc2c1C 185382606 CCFRBHPMPUBXGL-UHFFFAOYSA-N 256.305 3.538 30 20 CHED COc1ccc(/C=C/C(=O)C2CCCCC2)cc1OC 61174713 OZQILAGXYRTTRW-CSKARUKUSA-N 274.360 3.866 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H]2CC[C@H](SC)C2)cc1 128411438 CSBUQJKMUPSVQJ-LXZKKBNFSA-N 289.444 3.633 30 20 CHED C=CCCCNc1ccc2nccnc2c1Br 302608798 MUCJFSCXNJGKIJ-UHFFFAOYSA-N 292.180 3.770 30 20 CHED C[C@@H](c1cccs1)[S@](=O)Cc1cccc(C#N)c1 127678259 JMTGTLHVMONFDJ-VOJFVSQTSA-N 275.398 3.630 30 20 CHED C#CCOC(=O)[C@H](Sc1ccccc1)c1ccccc1 69200480 IGWXWQWBSJAFGB-MRXNPFEDSA-N 282.364 3.696 30 20 CHED CC(C)C[C@H]1OCCC[C@H]1Nc1ccc(Cl)c(C#N)n1 302519923 YSUYYQUWUHZODC-TZMCWYRMSA-N 293.798 3.612 30 20 CHED CCCN(Cc1ccc(F)cc1)[C@@H]1CC[C@@H](C#N)C1 411198204 DZBNYNLEFDUULB-GDBMZVCRSA-N 260.356 3.730 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@H](C)C[C@H](C)C2)c1 302156383 WGGKNHQAAZWPRT-STQMWFEESA-N 270.376 3.633 30 20 CHED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)C=C(C)C)cc1 128583961 RVRYZNUZKMXCDL-INIZCTEOSA-N 298.386 3.643 30 20 CHED Cc1c(C(=O)N[C@H](C)C#N)oc2c1ccc1ccccc12 125638767 CFAONPJTLLFZTD-SNVBAGLBSA-N 278.311 3.536 30 20 CHED Cc1cc(F)cc2c(NCCC3CC3)c(C#N)cnc12 301451758 GBUINJIMGVQGOP-UHFFFAOYSA-N 269.323 3.766 30 20 CHED Cc1ccc([C@H](C)NCc2cccc(C#N)c2)s1 37748758 LWZPCENIAYZSCE-LBPRGKRZSA-N 256.374 3.779 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 185623205 BQSQYWKCMCKJMF-GOEBONIOSA-N 287.378 3.724 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C2=CCCC2)n1 121738726 LSAHQBCIMDZNMO-NSHDSACASA-N 260.362 3.553 30 20 CHED N#Cc1cc2c(nc1SCc1cncc(F)c1)CCCC2 188283471 YKIZZXKLFOXFKQ-UHFFFAOYSA-N 299.374 3.658 30 20 CHED CCC(CC)CNC(=O)Nc1ccc(C#N)cc1Cl 426124072 QQKODWYRTFXEEO-UHFFFAOYSA-N 279.771 3.769 30 20 CHED CCc1ccc(OCc2ccccc2C#N)c([N+](=O)[O-])c1 70497746 CWTQZCBRYWRAER-UHFFFAOYSA-N 282.299 3.608 30 20 CHED CCOC(=O)[C@H](SCCC#N)c1cccc(Cl)c1 413017289 YOYFFCMDMRMGIO-GFCCVEGCSA-N 283.780 3.591 30 20 CHED C[C@@H](NCCC1(C#N)CCCCC1)c1cccnc1 411435651 DRIDPOFXGXSCQT-CQSZACIVSA-N 257.381 3.596 30 20 CHED Cc1ccc(CNc2cccc(OCCCC#N)c2)c(C)n1 187721759 CQFITKVDNKBCPH-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H]3CCC[C@H]3C2)c1 121161566 DQDKCJHBTLPCDD-OKILXGFUSA-N 286.375 3.515 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCCn1cccc1 412841275 OUVVGWIXMPOGII-SFHVURJKSA-N 296.414 3.572 30 20 CHED Cc1c(-c2ccccc2)[nH]c(S[C@@H](C)CCC#N)nc1=O 189481112 JJPJEFSDTKJBIL-NSHDSACASA-N 299.399 3.530 30 20 CHED N#Cc1cnc(N2CC[C@H](Cc3ccccc3)C2)c(Cl)c1 78334775 XHWSRBZPZGHVQS-CQSZACIVSA-N 297.789 3.676 30 20 CHED C=CCOCCSCc1sccc1Br 419413460 KQUKMYWPTIVTHN-UHFFFAOYSA-N 293.251 3.946 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(OCC)c(OC)c1 182590077 HFBOANWGIYMZKE-CYBMUJFWSA-N 291.391 3.569 30 20 CHED CCN(C(=O)c1ccc(C#N)c(C)n1)c1cc(C)ccc1C 78436452 MCDIXNFTXNIRSD-UHFFFAOYSA-N 293.370 3.545 30 20 CHED N#CCCN(CCCCC(F)(F)F)Cc1ccco1 154846855 BVEXYZLYTBHXJS-UHFFFAOYSA-N 274.286 3.728 30 20 CHED C[C@H](Cc1ccccc1F)N[C@H](C)c1cccc(C#N)c1 181553125 VCDUWQSLZKEPKH-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)[C@](C)(OC)C1CC1 413694171 QIMWPPYXTQCMBE-YOEHRIQHSA-N 296.455 3.578 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2C[C@H]2C)c1 76830847 HPLOKLPYUSWPCY-CXAGYDPISA-N 295.407 3.919 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)cc2)C1 505094764 VELFLGLPULHTMW-HZPDHXFCSA-N 270.376 3.503 30 20 CHED Cc1ccc(C(C)(C)CN[C@H]2CCC[C@H](C#N)C2)cc1 185813552 QGFLONQOGPLYMD-RDJZCZTQSA-N 270.420 3.945 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cscc1C#N 410559426 CQVNUFMBRNHVCZ-SMDDNHRTSA-N 276.405 3.661 30 20 CHED C[C@@H]1O[C@H](C)C[C@H]1CNc1cc(C#N)ccc1C(F)(F)F 413526333 BLUBRNXSHNLUNH-SCVCMEIPSA-N 298.308 3.802 30 20 CHED Cc1cc([C@@H](C)/N=C/c2ccc(O)c(O)c2O)c(C)s1 120528983 XETBZRYPGCKORH-UHDDOIDHSA-N 291.372 3.662 30 20 CHED N#Cc1ccc(NCCSc2ccccc2)cc1 37855546 ZSDMMIKYNFJRGH-UHFFFAOYSA-N 254.358 3.762 30 20 CHED N#CCC[C@H](C#N)COc1cccc2ccc(Cl)nc12 189460203 JJLPGZPMXYMEJZ-LLVKDONJSA-N 285.734 3.711 30 20 CHED CC[C@@H](Sc1cccc(C#N)c1)C(=O)OC(C)(C)C 188066065 HSRNFVMIVNVIST-CYBMUJFWSA-N 277.389 3.771 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2F)cc1OC 33396158 KTVOJUDTZADZKS-CLFYSBASSA-N 286.302 3.739 30 20 CHED CC[C@H](CC#N)NCc1ccc(SC(F)F)cc1 184094248 COZLGADAZYDXDI-LLVKDONJSA-N 270.348 3.783 30 20 CHED CC1(C)[C@@H](NCCCCC#N)C[C@@H]1c1ccccc1 184557178 WSIKUVGYZSRRON-CVEARBPZSA-N 256.393 3.852 30 20 CHED C[C@H](CC#N)N(C)Cc1ncc(-c2ccc(Cl)cc2)o1 129634259 HWWWITQJHWIPAS-LLVKDONJSA-N 289.766 3.729 30 20 CHED C[C@@H]1CC[C@H](CNc2cc(C#N)ccc2C(F)(F)F)O1 413376562 MWCXMKXXHDSKGD-MWLCHTKSSA-N 284.281 3.556 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1 134495676 QCOSBPMQMZHFDX-WEVVVXLNSA-N 283.352 3.915 30 20 CHED C[C@@H]1C[C@@H](NC(=O)CCCC#N)C[C@H](c2ccccc2)C1 412689018 IGXPEVQVBYMFIO-USXIJHARSA-N 284.403 3.769 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1cc2ccccc2o1 188071118 QUXJMDIPKCFDGK-QGZVFWFLSA-N 288.343 3.705 30 20 CHED N#CCC(=O)NCc1ccccc1-c1ccc(Cl)cc1 184889229 BMAMZGGEPVRRPI-UHFFFAOYSA-N 284.746 3.537 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(C#N)cc1F 413160862 VAYHGJZGHDHTAJ-RISCZKNCSA-N 299.324 3.614 30 20 CHED Cc1nc(C2CCC2)nn1Cc1ccccc1C(C)(C)C#N 418925449 QLGLVIDWEMZASC-UHFFFAOYSA-N 294.402 3.704 30 20 CHED CCCCc1ccc(NC(=O)[C@](C)(C#N)CC)cc1 136189083 MHEJHTLUKNEVJT-INIZCTEOSA-N 258.365 3.908 30 20 CHED C[C@@H]1CCC[C@@H](C)C1/N=C(/O)c1ocnc1C1CC1 329346122 VAHOLRUPVOASTF-NXEZZACHSA-N 262.353 3.681 30 20 CHED OC1=Nc2cc(C/C(O)=N/[C@H]3C[C@H]4CC[C@H]3C4)ccc2C1 329336121 OYUPQOSKAYQECB-JKOKRWQUSA-N 284.359 3.518 30 20 CHED COc1ccc(CNc2ccc3c(c2)CCC3)cc1C#N 87822322 PQXOIQSPRLPCOH-UHFFFAOYSA-N 278.355 3.668 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccccc2OCC(F)F)C1 193096158 CZORDSQPMIOGQX-NWDGAFQWSA-N 280.318 3.825 30 20 CHED N#C[C@H](C(=O)CC1CCCCCC1)c1ccccn1 135833562 HPZXOMRZKITHSL-AWEZNQCLSA-N 256.349 3.618 30 20 CHED CC1(C)C[C@@H](/N=C(/O)c2csc(O)n2)c2ccccc21 329973575 ZQCHQQFRJKGBTO-LLVKDONJSA-N 288.372 3.576 30 20 CHED C#Cc1cccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 41637808 QRVNKXCHDXCTPF-UHFFFAOYSA-N 279.126 3.555 30 20 CHED CCc1cccc2c1N(C(=O)c1cc(C#N)cs1)CCC2 84109882 DBHFEGNPRHPNIT-UHFFFAOYSA-N 296.395 3.775 30 20 CHED Cc1c(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)ccc(C#N)c1C#N 421553740 FGDBLANDVZFHSF-MBNYWOFBSA-N 295.386 3.749 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(C)C)nc1CC 338862530 RCNIELKXPIGZKN-UHFFFAOYSA-N 274.408 3.806 30 20 CHED N#Cc1cccc(COc2cnc3ccc(F)cc3c2)c1 337935764 MPOVEXBPHVBJKB-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C[C@@H](C(=O)Nc1ccccc1CC#N)c1cccs1 339165362 LJOWEKZWIUGLOM-LLVKDONJSA-N 270.357 3.556 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)o1 336614275 PGEKEELTTPXRPH-HIFRSBDPSA-N 294.354 3.560 30 20 CHED Cc1cc[nH]c1/C(O)=N/[C@H](CC(=N)O)C1CCCCC1 331216736 FDZQWHBLCPDAFD-GFCCVEGCSA-N 277.368 3.502 30 20 CHED CCN(CCC#N)C(=O)c1ccc(-c2ccccc2)cc1 426481147 DQTDAXCQNFWXAG-UHFFFAOYSA-N 278.355 3.729 30 20 CHED CC(C)(C)c1ccccc1N/C(O)=N/C[C@]1(C)CCOC1 330759988 KWAPUBAZLZOZBH-KRWDZBQOSA-N 290.407 3.737 30 20 CHED C=C1CCN(c2nnc([C@@H](C)CC)n2CC(C)C)CC1 338993218 XWGPJTSLBTWKEG-AWEZNQCLSA-N 276.428 3.604 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC3(CCCC3)C2)n1 614524381 SZIOUFJPUNOEQM-UHFFFAOYSA-N 269.392 3.631 30 20 CHED COc1cc(C#N)ccc1OCCCCC(F)(F)F 161741168 UPGLPMDXXRIFKS-UHFFFAOYSA-N 273.254 3.678 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCCc4occc43)CC2)c1 336601531 HGOKCERCFRGSTB-MRXNPFEDSA-N 278.355 3.808 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1cc(F)cc(F)c1)CC2 334981469 WVWKKGXIAVTOKH-QGZVFWFLSA-N 284.309 3.614 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)c1cccc(C(F)F)c1)CC2 335012430 ONVDLAUCCVGHLJ-UHFFFAOYSA-N 298.292 3.699 30 20 CHED Cc1cc(C)cc(NC(=O)c2ccc(C)c(C#N)c2)c1 96618020 UOGFLSJJKUHDAB-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CC1(C)CCC(CNC(=O)[C@]2(C#N)CC23CCCC3)CC1 333555936 NHUDPRKWKFMYTO-GOSISDBHSA-N 288.435 3.793 30 20 CHED C=CCn1c(C)nnc1SCc1cccc(F)c1Cl 92853316 ZHCJKYCOZBGXNA-UHFFFAOYSA-N 297.786 3.857 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccco2)s1 430631619 VMCRAMCGNQKXBJ-SECBINFHSA-N 274.345 3.524 30 20 CHED Cc1cc(N/C(O)=N/C2(CCO)CCCCC2)ccc1F 331072258 SOIQVLPSWPYOTC-UHFFFAOYSA-N 294.370 3.545 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(C(F)(F)F)s1 432745844 FRQIYNBHDSOYQU-MRVPVSSYSA-N 262.300 3.501 30 20 CHED C=C(C)C[C@@H](C)c1nc(-c2ccc(O)c(OC)c2)no1 436876376 IBKFGPMTQNOCJJ-SNVBAGLBSA-N 274.320 3.521 30 20 CHED C=CCC1(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)CCCCC1 521566530 WRAUBTZZGSFRES-ZIAGYGMSSA-N 294.439 3.521 30 20 CHED N#Cc1cccc(C2(NCc3ccc4ncccc4c3)CC2)c1 341228073 PXUZFKKPUQYPKM-UHFFFAOYSA-N 299.377 3.885 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C 437704917 SWTHUCDKQRGWJI-BZUAXINKSA-N 296.455 3.624 30 20 CHED Cc1nsc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1C#N 343047822 YQNXQNGQUXGXCW-WCQYABFASA-N 289.791 3.945 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 437623295 BPHGTYWSAWHRNW-KYHPRHEASA-N 293.451 3.690 30 20 CHED N#Cc1cccc(CCNCCSCc2ccccc2)c1 343632439 ALNAOAULJYNQSJ-UHFFFAOYSA-N 296.439 3.624 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](Cc1ccccc1)C(C)C 436314378 YVGOQRQCHWQVOX-QRVBRYPASA-N 287.447 3.825 30 20 CHED CN(C)Cc1cc(NCc2cccc(C#N)c2)ccc1Cl 341480175 HWCKPPCDAKRQKT-UHFFFAOYSA-N 299.805 3.885 30 20 CHED CC(C)c1nc(/C=C\c2ccncc2C#N)c2ccccn12 349103806 CYKQNUXATVSDFF-SREVYHEPSA-N 288.354 3.895 30 20 CHED C=CCOc1ccc(-c2nc([C@H]3CC[C@@H](C)O3)no2)cc1 528248413 HPQBHKQOJWVRQZ-BXUZGUMPSA-N 286.331 3.541 30 20 CHED C[C@@H](CCC#N)CN(CCc1cccc(F)c1)C1CC1 602469157 ATVKEVCXWNYNNS-AWEZNQCLSA-N 274.383 3.772 30 20 CHED C[C@H](CCC#N)CN1CCC(COc2ccccc2)CC1 602446867 BZZSCGOGFOYEGG-MRXNPFEDSA-N 286.419 3.717 30 20 CHED CC(C)C[C@H](C)n1cc(CC2(C#N)CCCCC2)nn1 603230679 SVBISQFBVAUOMX-AWEZNQCLSA-N 274.412 3.902 30 20 CHED COc1cccc(/C=N\[C@@H]2C[C@@H]2c2cccc(F)c2)c1O 255086258 PJSRMJKIGZGVDQ-QJHUTNDBSA-N 285.318 3.515 30 20 CHED CC1(C)CN(c2ncccc2C#N)[C@H]1c1ccccc1 609586343 QNJXXYSAWOWHNQ-HNNXBMFYSA-N 263.344 3.541 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 520900547 TZYFWOZFFZZXAT-LBPRGKRZSA-N 289.354 3.741 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccccc2Cl)no1 528067538 ZOCRBPVLKHGZRL-UHFFFAOYSA-N 275.739 3.971 30 20 CHED C[C@H]1[C@H](C)CCCN1Cc1ccc(C#N)cc1Cl 252812588 QHXGWGWMKPXROT-NEPJUHHUSA-N 262.784 3.832 30 20 CHED N#Cc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)s1 254999773 SCZAIALUMYNYKZ-DHZHZOJOSA-N 281.336 3.538 30 20 CHED CC[C@H](NC(=O)CC(C)(C)C#N)c1cc(C)ccc1C 600518185 ULBPYENKEDOWID-HNNXBMFYSA-N 272.392 3.811 30 20 CHED CCCCOc1ccccc1N[C@H]1CC[C@@H](C#N)C1 442856610 OIFQJJYRXSGZOS-KGLIPLIRSA-N 258.365 3.970 30 20 CHED C=C(CC)CNc1cc(N2CCCC2=O)ccc1Cl 358670855 XSYIYZBNSUAJAK-UHFFFAOYSA-N 278.783 3.845 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)Cc1ccc(Cl)c(Cl)c1 608822480 FEUYJNRGRBLEGY-NSHDSACASA-N 299.201 3.590 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C#N)ccc1NCC 354096677 KNZFZCLLRAVYDC-UHFFFAOYSA-N 283.375 3.697 30 20 CHED Cc1c(C(=O)N(CCC#N)CC2CC2)oc2c(C)cccc12 264063252 MGRUDJRDSJSUSR-UHFFFAOYSA-N 296.370 3.816 30 20 CHED CC(C)[C@H]1CN(C(=O)c2ccccc2CC#N)[C@@H]1C(C)C 601618422 YPORFXWQGZIRMX-IAGOWNOFSA-N 284.403 3.505 30 20 CHED Cc1ccc(NCc2cn3ccccc3c2C#N)c(F)c1 446636377 DQUHCTBLTLAXIU-UHFFFAOYSA-N 279.318 3.871 30 20 CHED CCN(CCC1CC1)C(=O)Nc1cc(C#N)ccc1C 355234581 WBTOTNLTGRTOME-UHFFFAOYSA-N 271.364 3.521 30 20 CHED C=CCCC1(C(=O)Nc2scnc2C2CC2)CC1 356597903 ONPSADCBRTWQCW-UHFFFAOYSA-N 262.378 3.705 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 268018174 RFBXIAGAMBYRKG-UONOGXRCSA-N 293.432 3.519 30 20 CHED CCS[C@@H]1CCCCN(Cc2cccc(C#N)c2)C1 353602857 FIUXZUUYBWDNNV-MRXNPFEDSA-N 274.433 3.666 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1ccccc1Cl 533425452 HNULHYKRNWIDEQ-UHFFFAOYSA-N 294.826 3.957 30 20 CHED Cc1ccccc1-c1noc(CSCCCCC#N)n1 610797765 NFMNNZUDNOCCEQ-UHFFFAOYSA-N 287.388 3.972 30 20 CHED C=CCOc1ccccc1CNC(=O)C(C)(C)C1CCC1 448957192 RMXTYAZYXPPWMF-UHFFFAOYSA-N 287.403 3.694 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@@H](C)CC1 443575291 GZCWYXNLLNUYNV-DOMZBBRYSA-N 285.391 3.957 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)s2)[C@H]2CCCC[C@H]21 531147418 TYRATAZYZXFMLB-XBFCOCLRSA-N 288.416 3.661 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCc2c(Cl)cccc21 538603651 DBVWLMVLSJXIQW-IAQYHMDHSA-N 292.810 3.981 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2c[nH]c3cccc(C)c23)C1 617783989 LDUFKHDYKJQSAY-HNNXBMFYSA-N 296.414 3.834 30 20 CHED Cc1ncc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)s1 619755267 VCVVXBPFLSZQBV-SECBINFHSA-N 291.807 3.827 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cnccc1C 358466893 NKRDMITWDXHGPK-UHFFFAOYSA-N 272.392 3.599 30 20 CHED CS[C@@H](C)CCC(=O)N[C@@H](CCC#N)c1ccccc1 358703160 XRCIOEAIENHDBB-ZFWWWQNUSA-N 290.432 3.679 30 20 CHED C=C(C)CCc1noc(-c2cc(C)n(C(C)(C)C)n2)n1 351620504 PVFLMCMQLOOWHX-UHFFFAOYSA-N 274.368 3.505 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(C)cc(C)n1)c1ccccc1 533991771 QWDVOCDSJPPDHW-HNNXBMFYSA-N 280.371 3.997 30 20 CHED C=CC(C)(C)CNC(=O)C1(c2ccc(Cl)cc2)CC1 452778481 QHBPPEHYGNPUJH-UHFFFAOYSA-N 277.795 3.700 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](C)C2(CCC2)C1 614403410 WZFBRIFHVZLDFM-OAHLLOKOSA-N 268.404 3.879 30 20 CHED N#CC1(c2nc([C@@H]3CCc4ccccc43)no2)CCCCC1 612933431 VDMXQZXZFOSCGJ-OAHLLOKOSA-N 293.370 3.873 30 20 CHED N#Cc1ccc(CNC(=O)C2CCCCCC2)cc1Cl 619765666 QGNKVAWGCZMKHE-UHFFFAOYSA-N 290.794 3.798 30 20 CHED C=CC(C)(C)CN[C@H]1CCN(C)[C@H](c2ccccc2)C1 453302758 AVGVFZMRAXAJIB-IRXDYDNUSA-N 272.436 3.624 30 20 CHED C[C@H](C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 610223343 QWLYRBDYPXMLES-NSHDSACASA-N 284.746 3.954 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC/C=C/c1ccc(F)cc1 618742276 VRMDLMOUZZNKNX-VQSDEBNRSA-N 292.357 3.988 30 20 CHED C=CCCC1(C(=O)NCc2ccc(NCCC)cc2)CC1 360294527 NLSLSWMTOBKOAJ-UHFFFAOYSA-N 286.419 3.871 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Sc1ccc(OC)cc1 452775785 IWSPPFSJHJNUQA-LBPRGKRZSA-N 293.432 3.504 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@H](C(C)C)C2)CCCCC1 450385700 FNWWQKXLJVNXKK-HOTGVXAUSA-N 293.451 3.833 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N=c1cc[nH]c2ccccc12 618693684 MTFLWHQAYRDRMU-GOSISDBHSA-N 285.350 3.628 30 20 CHED C[C@H](C#N)CN(C(=O)Cc1cc2ccccc2s1)C1CC1 450350759 SCGSFXBESSTNGT-GFCCVEGCSA-N 298.411 3.594 30 20 CHED C=CCN(Cc1ccc(C)nc1)CC1CCCCC1 360972693 BZGRKEANULKTTK-UHFFFAOYSA-N 258.409 3.958 30 20 CHED C=CCN(C(=O)Nc1sc(C)nc1CC(C)C)C1CC1 271457433 PIPATQPTWUWMJP-UHFFFAOYSA-N 293.436 3.832 30 20 CHED C=C(C)CCN1CC(C)(C)N(CCC(=C)C)C[C@H]1C 451078388 FAGPJILDUSHUAG-MRXNPFEDSA-N 264.457 3.704 30 20 CHED C=CCC1(C(=O)NCCCCCSC)CCCC1 450749005 WMXLFGZUNMUNFM-UHFFFAOYSA-N 269.454 3.772 30 20 CHED C=C(CC)CSCC(=O)N1c2ccccc2C[C@@H]1C 540193350 QKWQGBRKFQTBBA-ZDUSSCGKSA-N 275.417 3.664 30 20 CHED Cc1c(Cl)cnc(N(CC(C)C)C2CC2)c1C#N 543134391 RFRPYRUAOWVSNP-UHFFFAOYSA-N 263.772 3.540 30 20 CHED C=C(Cl)CNC(=O)C[C@@H](C)c1c[nH]c2ccccc12 278796565 NCGRUZOWAFTTCW-SNVBAGLBSA-N 276.767 3.530 30 20 CHED CCC(CC)c1noc([C@H](C)c2cccc(C#N)c2)n1 361253282 RNMGLHXWQGPJEA-LLVKDONJSA-N 269.348 3.997 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cnn(C(CC)CC)c1CC 362268396 ZGMNZTYUWGPHGZ-LLVKDONJSA-N 278.400 3.503 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC)c(SC)c1 459651402 PNOWLTXLVHPSCA-JTQLQIEISA-N 280.393 3.503 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CCC(=O)CC1 450453468 PKEBDVCWZFXZNC-MOPGFXCFSA-N 296.414 3.517 30 20 CHED COc1ccc(CC[C@H](C)Nc2nccc(C)c2C#N)cc1 541279026 WASGIBNDSVNQTP-AWEZNQCLSA-N 295.386 3.704 30 20 CHED CC(C)[C@H](C#N)NC(=O)CSc1ccc2ccccc2c1 463841227 RZNXGUAGZCIXDL-INIZCTEOSA-N 298.411 3.596 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1N(C)c1ccccc1 465152291 SIOKKKNOBOKLAV-AWEZNQCLSA-N 280.371 3.759 30 20 CHED CCCc1csc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n1 462585248 TZKCKKCGZPDRRP-NSHDSACASA-N 299.399 3.709 30 20 CHED Cc1ccc([C@]2(C)CCN(CCC(C)(C)C#N)C2)cc1 553892622 ZGXOJDZJZQSCPA-GOSISDBHSA-N 270.420 3.898 30 20 CHED CO[C@@]1(C)CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 280635097 XROUMRRKCICKIG-YOEHRIQHSA-N 272.392 3.510 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 464442724 SVRVDDCOGQTYGM-XLAORIBOSA-N 287.447 3.997 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(F)c1Cl 287711690 NEOZKXFPZOUBIQ-UHFFFAOYSA-N 256.708 3.519 30 20 CHED CCn1ccnc1[C@@H]1CCCCN1Cc1cccc(C#N)c1 281174087 QYJCHXKTSLIJNP-KRWDZBQOSA-N 294.402 3.502 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC)CSc1ccccc1 467087135 WOVNTGQPFDDOLC-AWEZNQCLSA-N 292.448 3.775 30 20 CHED C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(OCC#N)cc1 287493397 YASHPUNGMVRQRP-YGRLFVJLSA-N 298.308 3.580 30 20 CHED CC(C)c1cccc(N/C(N)=N/CC2CCC(C#N)CC2)c1 281903426 ZIJWPTNMEDQMDB-UHFFFAOYSA-N 298.434 3.867 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)c2cc(C#N)oc2C)cc1 280510408 CWHOFBABZFAUOY-LLVKDONJSA-N 298.342 3.889 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(Oc2ccccc2)c1 465103579 PYILIIWHENFYGH-CYBMUJFWSA-N 267.328 3.783 30 20 CHED C=C[C@H](C)NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 464756235 JTYLMWXRCKDZBD-LBPRGKRZSA-N 290.794 3.713 30 20 CHED Cc1ccc(CCC(=O)Nc2cc(C#N)ccc2C)s1 289581005 AKPIHWFGCJZVEO-UHFFFAOYSA-N 284.384 3.808 30 20 CHED Cc1cc(COC(=O)/C=C\c2ccccc2C#N)cs1 806022858 JZVJVCSRPWREML-SREVYHEPSA-N 283.352 3.685 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCC[C@@H](c2ccnn2C)C1 550856520 KLQLNBJLKXBYSV-HUUCEWRRSA-N 275.440 3.638 30 20 CHED C#Cc1ccc(CNc2ccc(N3CCCC3)cc2)cc1 809596972 WGYLVGRYTRWHGN-UHFFFAOYSA-N 276.383 3.880 30 20 CHED CCOc1ccccc1-c1noc(-c2cccc(C#N)c2)n1 388982585 FOLZBXCZWLJGAR-UHFFFAOYSA-N 291.310 3.674 30 20 CHED Cc1cc(C)cc(N(C)C(=O)[C@@]2(C#N)CC23CCCC3)c1 294362914 HEKFJWRNQKLOAQ-SFHVURJKSA-N 282.387 3.740 30 20 CHED N#CCCCC(=O)Nc1cccc(CCC(F)(F)F)c1 291849769 GLOQJXGIQKFDHR-UHFFFAOYSA-N 284.281 3.814 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)CCCC=C 807075362 WVAVFBSIZQWGPL-INIZCTEOSA-N 284.403 3.576 30 20 CHED N#CC[C@@H]1CC[C@H](N[C@@H]2CCCc3nc(Cl)ccc32)C1 296448801 MQZSQRWQASPTGU-SGMGOOAPSA-N 289.810 3.784 30 20 CHED C=C(C)COc1cccc(NCC2(SC)CC2)c1 562900988 BMBKCXGNHQBGSF-UHFFFAOYSA-N 263.406 3.949 30 20 CHED C[C@@H]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)C[C@H]1C 560261073 GUOPRFFPYZECSY-CKEIUWERSA-N 268.404 3.962 30 20 CHED C=CCOCCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 470775547 ZFQKSLJJVWKSQU-WMLDXEAASA-N 277.383 3.801 30 20 CHED C=CCCCCNC(=O)N1Cc2ccccc2C[C@H]1CC 474072446 ISKSGBFFRBLETE-QGZVFWFLSA-N 286.419 3.889 30 20 CHED CC(C)(C)c1ccc(CCN[C@@H]2CC[C@@H](C#N)C2)cc1 564537569 YKCQHJDYUWQKSX-NVXWUHKLSA-N 270.420 3.808 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)CCC2 568951050 XXGLTVIXLXVTRQ-SOVGHPHASA-N 296.414 3.853 30 20 CHED N#CCOc1cccc(OCC[C@H]2CC2(Cl)Cl)c1 818087511 RTQDRCRKQIMEHY-JTQLQIEISA-N 286.158 3.552 30 20 CHED Cc1cc(Cl)cc(C=NNc2ncncc2Cl)c1 814908990 GEKGONNPKAONRJ-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=NNc3cnccn3)c2c1 811638672 VQAOLVTZKVVUFV-UHFFFAOYSA-N 293.374 3.701 30 20 CHED C#C[C@H](NC(=O)[C@H](C)CSc1ccccc1)C(C)(C)C 813777417 JUWDEXGPCLABLS-HIFRSBDPSA-N 289.444 3.579 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(-c2cccc(F)c2F)o1 483285418 YKUMFTZSRGWEIJ-LLVKDONJSA-N 290.313 3.816 30 20 CHED C=CCCCCNC(=O)Nc1ccnn1[C@@H](C)CC(C)C 481446175 BJNKRJGWUUFFME-AWEZNQCLSA-N 292.427 3.968 30 20 CHED C=CCN(Cc1cccs1)C[C@H](O)CCC(C)C 481724898 JESTWYYIGYJHDZ-CQSZACIVSA-N 267.438 3.533 30 20 CHED Cc1c(C=NOCCC(F)(F)F)n(C)c2ccccc12 814909789 KPMATEWQKKNOFM-UHFFFAOYSA-N 284.281 3.790 30 20 CHED C=CCCNCc1c(C)nn(-c2ccc(Cl)cc2)c1C 657582793 GRNCTLLBGKXOGL-UHFFFAOYSA-N 289.810 3.808 30 20 CHED CC[C@@H](C=NNc1cncc(Cl)n1)c1ccccc1 814798098 ZJHJFCWJQUUCRM-NSHDSACASA-N 274.755 3.722 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(C)c1ccccc1C#N 483872372 OMPPYKHQGVMGPC-HIFRSBDPSA-N 270.376 3.737 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2nc(-c3cccnc3)no2)C1 814948123 ZOHQQZBIUWRYFP-CHWSQXEVSA-N 299.378 3.746 30 20 CHED CSC(C)(C)CC=NN=c1cc[nH]c2ccccc12 814841928 ZHUPTNKDVKUANK-UHFFFAOYSA-N 273.405 3.586 30 20 CHED C=CCCCCCCCNC(=O)C[C@@H]1CCC(=O)[C@H]1C 811590151 RAXAYMSEMZHUAA-GJZGRUSLSA-N 279.424 3.635 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 488887973 XOLITGVUCQNYSN-YVSFHVDLSA-N 293.451 3.927 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1c1ccc(C#N)c(C)n1 488124744 KOAXQYHYPSLHSN-SWLSCSKDSA-N 257.381 3.667 30 20 CHED C=C(Cl)COC(=O)c1nsc2ccc(C)cc12 815507040 SSOWTILGODFJGU-UHFFFAOYSA-N 267.737 3.514 30 20 CHED Cc1nc2ccccc2nc1COc1cc(F)cc(C#N)c1 570033171 MTNNHKYCXUVMEG-UHFFFAOYSA-N 293.301 3.528 30 20 CHED C=CCC1(CN[C@@H](C)c2cscn2)CCCC1 578847124 LALKODFQQLSAAI-LBPRGKRZSA-N 250.411 3.930 30 20 CHED C=CCCCCCN(C)Cc1ccc(Cl)cn1 571907354 CRVOKNAVYQNZGU-UHFFFAOYSA-N 252.789 3.913 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@@H](C)c1ccc(F)cc1F 578422478 LFXXCTATOYOZEI-GFCCVEGCSA-N 294.345 3.609 30 20 CHED CCC(=NOCCOC(C)C)c1cc(C)ccc1OC 812239185 OXSILJQHAWJYFG-UHFFFAOYSA-N 279.380 3.559 30 20 CHED CCCCCc1ccc(Oc2cc(C#N)ncn2)cc1 571859785 LGDVBZDAYXETAB-UHFFFAOYSA-N 267.332 3.873 30 20 CHED C=CCC1(NC(=O)[C@@H]2COc3ccccc32)CCCCC1 654021110 ZALSKMGFEGKMKS-OAHLLOKOSA-N 285.387 3.558 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccc(CC)cc1)C(C)C 727706475 DOPDOWSHYDRGKY-CQSZACIVSA-N 259.393 3.776 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CCC(C)(C)C 495202209 NOJZGRKTIQLPPM-ZIAGYGMSSA-N 266.429 3.951 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C\c1ccsc1 492472869 LBHJLEOIEYJCAV-DGMVEKRQSA-N 298.367 3.691 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C#N)ccc1F 829015677 GJIGWNGSEHPQIS-MLGOLLRUSA-N 288.366 3.738 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(OC)c2F)C1 822666065 BONPTSRQVVRMGB-LBPRGKRZSA-N 292.354 3.654 30 20 CHED Cc1cc(F)ccc1C=NNCCCc1ccccc1 729146205 PKTOIZXZWPKACI-UHFFFAOYSA-N 270.351 3.690 30 20 CHED CC(C)(C)[C@@H](Nc1ccnc(C#N)n1)c1ccccc1 577230988 DADCMIAXTZEIQW-HNNXBMFYSA-N 266.348 3.548 30 20 CHED CO[C@H]1CCOc2c(NCc3ccc(C#N)cc3)cccc21 577618263 NEHFTDFBODQXOS-KRWDZBQOSA-N 294.354 3.640 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)CC(F)(F)F)c1ccccc1 490241732 FUDWKBIRPHJAFN-YPMHNXCESA-N 285.309 3.803 30 20 CHED CC(C)C[C@@H](C)CN1CCO[C@@H](c2cccc(C#N)c2)C1 499586303 BKDWXLVICMOCCD-CRAIPNDOSA-N 286.419 3.614 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(C(F)F)ccc1Cl 497250196 WANFRTRSGCDGBY-SSDOTTSWSA-N 274.698 3.974 30 20 CHED C=CCCCCCN[C@@H](C(=O)O)c1ccc(F)c(C)c1 905387403 WAKLBUXELQLANJ-OAHLLOKOSA-N 279.355 3.596 30 20 CHED CC(C)(C)c1nc(CON=Cc2cccs2)co1 902688108 XENOEUKJJYYBRW-UHFFFAOYSA-N 264.350 3.584 30 20 CHED Cc1cccc([C@@H]2CCN(C(=O)c3ccsc3C#N)C2)c1 907342958 QTPBLENWMCELLG-CQSZACIVSA-N 296.395 3.558 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)NCC(C)(C)CCC#N)C1(C)C 588177987 ZTZHLJPIIPOXRZ-ZIAGYGMSSA-N 276.424 3.671 30 20 CHED C=CCCCN[C@H](CO)c1cccc(Cl)c1Cl 662052326 QYOVMOAJTGXFQQ-GFCCVEGCSA-N 274.191 3.583 30 20 CHED N#CC1(CN[C@H]2CCSc3c(Cl)cccc32)CC1 903107062 ZRCTYGQHLNJICF-LBPRGKRZSA-N 278.808 3.770 30 20 CHED CC[C@@H](N[C@@H](C)C1(OC)CCC1)c1cccc(C#N)c1 903022746 ANPPHUUIGYZQQY-XJKSGUPXSA-N 272.392 3.557 30 20 CHED Cc1ccsc1/C=C\C(=O)c1csc(C(=O)O)c1 730149651 YLKVZWOHWHVMPJ-IHWYPQMZSA-N 278.354 3.712 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(F)cc2)cnn1C(C)(C)C 588558796 DWOLFJCSVAVSSR-YFHOEESVSA-N 286.350 3.982 30 20 CHED C=CCC1(CNC(=O)/C=C/c2cnccc2C)CCCC1 836991697 XUCGFRKXDIYIFM-VOTSOKGWSA-N 284.403 3.656 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 660107234 OHFJCLGMKHOGBI-QWRGUYRKSA-N 277.330 3.778 30 20 CHED CC[C@H](NCCCc1ncccc1C)c1cccc(C#N)c1 903009292 ZDQDWOYECQCYON-SFHVURJKSA-N 293.414 3.935 30 20 CHED CCC#C[C@@H](C)Sc1nnc(-c2ccoc2C)o1 677131178 MUSROGKIXLHJER-SECBINFHSA-N 262.334 3.532 30 20 CHED CCCON=C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 901260453 YEVUFXRNCQVMSC-UHFFFAOYSA-N 296.411 3.580 30 20 CHED C=CCCCOC(=O)c1ccc(OCC(F)(F)F)cc1 735526647 FJARWYWTGJMALC-UHFFFAOYSA-N 288.265 3.751 30 20 CHED CC(C)(C#N)COC(=O)/C=C\c1cnc(C(C)(C)C)s1 588418998 OZFFDILVNPVPKK-SREVYHEPSA-N 292.404 3.547 30 20 CHED C[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 839054385 NZCCJILDHXHLFM-ZOWXZIJZSA-N 275.323 3.555 30 20 CHED CCCCCCCCC(=O)Nc1nc(C)ns1 742829514 RDLTXPKRRSCYNO-UHFFFAOYSA-N 255.387 3.536 30 20 CHED N#CCCCOc1cccc(NCCOCC2CCC2)c1 905103406 ZOPYZSATVJXCMR-UHFFFAOYSA-N 288.391 3.598 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)CCCC1CC1 589755807 VMPMNUHGWDUETC-UHFFFAOYSA-N 273.380 3.634 30 20 CHED C[C@@H](CCCc1cccnc1)OC(=O)c1cccc(C#N)c1 835927160 PQDOINYYBNTQLG-AWEZNQCLSA-N 294.354 3.521 30 20 CHED C=CC(C)(C)COC(=O)c1ccccc1SCC#N 835724467 LBWPVHWYCXXGGO-UHFFFAOYSA-N 275.373 3.671 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(n1)CCC2 581484855 SIHKQBVHIBNUIC-AWEZNQCLSA-N 291.398 3.635 30 20 CHED C[C@@H]1CCCC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 580982573 VCYFKEACMMHYMQ-JLZZUVOBSA-N 254.377 3.714 30 20 CHED CCCC[C@@H](C)N(C)C(=O)c1cc2ccccc2n1CC#N 589670203 BAKRUEMYYDCDLX-CQSZACIVSA-N 297.402 3.816 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNCc1ccccc1F 835011401 QOKFZQIMZARODO-ZDUSSCGKSA-N 273.355 3.621 30 20 CHED C[C@H](/N=C\c1cccc(O)c1O)c1nc2ccccc2s1 734095834 HMSHTZHZPMUSFR-HLGUWXJESA-N 298.367 3.888 30 20 CHED CCc1ccc(N(C(=O)c2ccc(C#N)n2C)C(C)C)cc1 839357358 FUEGBRNIVNZVOL-UHFFFAOYSA-N 295.386 3.514 30 20 CHED Cc1ccc(SC[C@H](C)NC(=O)C#CC(C)(C)C)cc1 837536945 CKUMUTGLQMISQC-AWEZNQCLSA-N 289.444 3.641 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2nc(Cl)ccc2Cl)C1 839045405 ZKRKFTITWKSVPL-IUCAKERBSA-N 299.157 3.628 30 20 CHED C=CCC[C@@H](NC(=O)O)c1ccc(C(F)(F)F)cc1 833373625 UZELPDRZFKSLTM-LLVKDONJSA-N 273.254 3.980 30 20 CHED CC[C@@H](C)CCCCC(=O)NCC(C)(C)CC#N 590916498 VCZLLOVXEBSBEC-CYBMUJFWSA-N 252.402 3.649 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 593407433 GJXVPQFYEBTSOD-MLGOLLRUSA-N 288.366 3.723 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 597176973 KVZRXXOCLGIFOH-NSHDSACASA-N 298.308 3.553 30 20 CHED Cc1cccc(NC(=S)N2CCC[C@@H](CC#N)C2)c1C 849271481 LDCKOZNURCVKDD-AWEZNQCLSA-N 287.432 3.626 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(F)c(C)c1 596726314 BKYHNKVGYQHIHV-UHFFFAOYSA-N 282.384 3.565 30 20 CHED N#CC[C@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 596329915 NFHOXSIHYSQMLA-GFCCVEGCSA-N 269.323 3.504 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)OC1(CC#N)CCC1 842354061 VGIYBPRHEIHWNX-CQSZACIVSA-N 289.400 3.937 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H]2C[C@@H]21 591941482 LYDICAOXLZJCCV-HZMBPMFUSA-N 283.762 3.749 30 20 CHED CCO[C@@H]1CCCC[C@H]1/N=C\c1cc2ccccc2nc1O 840709378 JFYYTHDNMOFRKQ-WKHYQZIASA-N 298.386 3.707 30 20 CHED C#Cc1cccc(NC(=O)COCCCCCCCC)c1 741530601 ZIIZQCHKZCKZPC-UHFFFAOYSA-N 287.403 3.984 30 20 CHED CCSc1ccccc1-c1noc(C2(C#N)CCC2)n1 599181161 UGTBPFNDYPGRQO-UHFFFAOYSA-N 285.372 3.794 30 20 CHED Cc1c(C#N)c(N2CCC[C@](C)(C#N)C2)nc2ccccc12 590697182 QITRUAZXOMPEJC-GOSISDBHSA-N 290.370 3.545 30 20 CHED Cc1cc(C#N)ccc1CN1CC(C)(C)[C@@H]1c1ccncc1 596594879 XEEGMDKIVTZILQ-SFHVURJKSA-N 291.398 3.845 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CC#N)C1 597909533 MZXMXSMNAXKOHN-ZWKOTPCHSA-N 298.430 3.654 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 593506728 AASZEQPQTVKXSF-DZGCQCFKSA-N 272.392 3.748 30 20 CHED COc1ccc(/C=C\C(=O)C2CCCCC2)cc1F 747003197 BHQNVLFEPBNHFU-CLFYSBASSA-N 262.324 3.997 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2Cl)C1 596908435 MTJRCQCUXHUDAW-JTQLQIEISA-N 295.745 3.637 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1nc(C#N)ccc1C 596085706 OSXQKTIDKCPYFV-MRXNPFEDSA-N 263.344 3.670 30 20 CHED CC[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 593576435 TULDDBAWQVEQJD-KBPBESRZSA-N 284.403 3.508 30 20 CHED CCCCCCCC(=O)N1NC(=O)CC12CCCCCC2 912278543 CKSLDOWGXZUURE-UHFFFAOYSA-N 294.439 3.703 30 20 CHED C=CCN(C)C(=O)C(C)(C)c1ccc2ccccc2c1 681674385 MKJVWCXESRCXTE-UHFFFAOYSA-N 267.372 3.762 30 20 CHED Cc1ccsc1C=NNc1cc(F)c(F)c(F)c1 747642840 UYBRQNNSOGBSSB-UHFFFAOYSA-N 270.279 3.920 30 20 CHED CC(C)Cn1nccc1/C=C1/CCOc2ccccc2C1=O 843269630 QAJATFWEOWDUDB-KAMYIIQDSA-N 296.370 3.588 30 20 CHED C[C@H](c1ccccc1)N1CCN(c2ccsc2C#N)CC1 595631585 FGNJAPWHTNNSJG-CQSZACIVSA-N 297.427 3.503 30 20 CHED CCCC[C@@H](CC)CC(=O)N1CCC[C@@H](CC#N)C1 597909626 OMSBJWANFUAADV-CABCVRRESA-N 264.413 3.745 30 20 CHED C#CCOc1ccc(NC(=O)N[C@H](C)C[C@@H](C)CC)cc1 743152576 ZZMASRVITNMGHJ-UONOGXRCSA-N 288.391 3.645 30 20 CHED C[C@H](CC#N)OC(=O)C(C)(C)c1ccc2ccccc2c1 744134559 DEHIOOULHJSESR-CYBMUJFWSA-N 281.355 3.963 30 20 CHED C[C@@H](NCC1CCC(C#N)CC1)c1ccc(C(F)F)nc1 595038587 LRZUCXUPHQIABA-PNESKVBLSA-N 293.361 4.000 30 20 CHED COc1ccc(C(C)=NNc2cccc(F)c2)c(F)c1 920384403 UZNUCYYBPCEOJO-UHFFFAOYSA-N 276.286 3.810 30 20 CHED Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1Cl 42192735 JEMBLMRAWXDRMJ-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C=CCCOCC(=O)N(CC)C[C@H](CC)c1ccccc1 681322598 IRPQDZSHMCTAQZ-INIZCTEOSA-N 289.419 3.621 30 20 CHED CC[C@](C)(NCc1ccc(OC)c(C#N)c1)c1ccccc1 742370137 SCZLOWVPPDVELQ-IBGZPJMESA-N 294.398 3.982 30 20 CHED COc1ccc(C)cc1/C=C1\Cc2ccc(F)cc2C1=O 749006013 PHSFUDNMOMGLKV-NTEUORMPSA-N 282.314 3.965 30 20 CHED COCC(=NNc1ccccc1Br)C(C)C 741457039 FOVUXXDXSQCDBR-UHFFFAOYSA-N 285.185 3.519 30 20 CHED C[C@@H](C#N)OCCSCC[C@H]1CCc2ccccc21 853773713 MWSAEPPEUHOFKC-DZGCQCFKSA-N 275.417 3.768 30 20 CHED CC[C@@H](C)c1ccc(C(=O)Nc2ccn(CCC#N)n2)cc1 755324420 BBJAZQHMQWVOMS-CYBMUJFWSA-N 296.374 3.563 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(C(=O)O)cc1)C2=O 921263272 ARGHDGKNRUCTHX-DHDCSXOGSA-N 278.307 3.516 30 20 CHED Cc1ncsc1/C=C\C(=O)c1ccc2c(c1)CCCO2 853010855 OLWLHQKUVYVWBQ-ALCCZGGFSA-N 285.368 3.673 30 20 CHED CC(=NOCC(F)F)c1ccc(-c2ccncc2)cc1 758902692 HTGPGHLIWGQXOZ-UHFFFAOYSA-N 276.286 3.754 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1ccc(CC)cc1 759007277 MVWFQXOEKGVPJA-UHFFFAOYSA-N 286.371 3.743 30 20 CHED Cc1ccc(C#N)nc1NCCC[C@@H]1CC1(Cl)Cl 853717111 UGTOOENMLBGWPH-SNVBAGLBSA-N 284.190 3.648 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](C)c1ccc(SCC)cc1 753130043 JDCHRJKYXRAOSE-TZMCWYRMSA-N 290.432 3.571 30 20 CHED CC(=NNc1ncccc1[N+](=O)[O-])c1ccc(Cl)s1 759203619 RJPBNOAPUWRDLT-UHFFFAOYSA-N 296.739 3.541 30 20 CHED Cc1cccc(NN=Cc2nc(Cl)cs2)c1 758089612 KYYJRYVQSQHVGL-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CC1=C(Br)CN([C@H](C#N)c2ccccc2)CC1 852006229 IHZBFHJTHOFHMP-CQSZACIVSA-N 291.192 3.626 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc2c(c1)OCCO2 750895052 CZRPWFSDXDKUCE-ZZXKWVIFSA-N 298.313 3.801 30 20 CHED C=CC(C)(C)CCOC(=O)c1cc2ccccc2oc1=O 851299064 XOAIIMNKPVFOCE-UHFFFAOYSA-N 286.327 3.552 30 20 CHED Cc1ccc(C2CC(=NO[C@@H]3CCCCO3)C2)cc1 755815366 RJHXYJLDEGZGDH-BZSJEYESSA-N 259.349 3.772 30 20 CHED C#Cc1cnc(N[C@@H]2CCCc3ccc(Cl)cc32)nc1 858862938 WQBOQRBSOWZSPG-OAHLLOKOSA-N 283.762 3.601 30 20 CHED CC(C)Cc1ccc(CCCC(=O)O[C@@H](C)C#N)cc1 754283650 XAXXCDOEFSVBQI-AWEZNQCLSA-N 273.376 3.663 30 20 CHED Cc1ccc(-c2cccc(C=Nn3c(C)nnc3C)c2)cc1 757563927 PFZXGYPLCGNTMY-UHFFFAOYSA-N 290.370 3.753 30 20 CHED C#CCCN[C@@H](C)c1sc(-c2ccccc2)nc1C 754677796 WGWFKAUBWJYBFC-LBPRGKRZSA-N 270.401 3.792 30 20 CHED CCc1cccc2c1OCC[C@@H]2/N=C/c1cccc(O)c1O 750950199 QANCKZDAMGGGAO-BKQORJHRSA-N 297.354 3.603 30 20 CHED C=CCC1(C(=O)OC/C=C\C(F)(F)F)CCCC1 851291819 WGPPCIUOAWQYIM-UITAMQMPSA-N 262.271 3.785 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(OC(F)F)cc1F 935854800 HRJUIQOQTOIRHV-SECBINFHSA-N 287.281 3.968 30 20 CHED CCc1ccc(C(C)(C)C(=O)OCCCCC#N)cc1 750573851 CBOHBQATFGIKPI-UHFFFAOYSA-N 273.376 3.764 30 20 CHED CCCCCCCCNC(=O)N(C)[C@H](C)C1CC1 755077962 LRSLESQCNBOANM-CYBMUJFWSA-N 254.418 3.787 30 20 CHED C#CCOCCC(=O)O[C@H](CC)c1ccc(Cl)cc1F 767605260 DLHYNIRPDMMMJD-CQSZACIVSA-N 298.741 3.513 30 20 CHED C#CCCCSc1nc2cc(Cl)ccc2n1C 766290565 WRFNNNOUZQUNQE-UHFFFAOYSA-N 264.781 3.732 30 20 CHED CCO[C@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)C(C)C 761142402 FTQKTSMSSNXAGO-CZUORRHYSA-N 289.375 3.614 30 20 CHED C[C@@H](NN=Cc1cc(F)c(F)cc1F)c1ccccc1 767780814 WCHPTZCSSZBZRW-SNVBAGLBSA-N 278.277 3.789 30 20 CHED C=CCc1ccc(OC(=O)[C@H](CCC)OCC)c(OC)c1 860458277 MNJVZMLGKBCFRX-HNNXBMFYSA-N 292.375 3.534 30 20 CHED C=C1CCN(C(=O)Nc2cccc(-c3ncco3)c2C)CC1 931521960 SLCAVPDPEJYGNO-UHFFFAOYSA-N 297.358 3.834 30 20 CHED CC#CCCN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 764976256 UNSCUVWNVKIABE-MOPGFXCFSA-N 285.431 3.768 30 20 CHED Cc1cc(C(=O)OCCCCC(C)(C)C#N)c(N)cc1F 768854611 YLZSEYJLXRPKQW-UHFFFAOYSA-N 292.354 3.593 30 20 CHED N#Cc1ccc(CCC(=O)OC2CCC(F)(F)CC2)cc1 860968701 DRCGNJGBIANWBB-UHFFFAOYSA-N 293.313 3.612 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ncnc3ccsc23)o1 764841643 SYDDRGKNNQDIQV-MWLCHTKSSA-N 298.371 3.854 30 20 CHED C#CCOc1ccc(F)cc1NCc1ncc(Cl)s1 769917608 PVLVVKJITVNSSO-UHFFFAOYSA-N 296.754 3.560 30 20 CHED C#CCCN1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 760845178 UKKRISZBBUCRGZ-CQSZACIVSA-N 291.822 3.626 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@@H]1CCCCC1(F)F 860199862 JTQCFPOIDLIUNH-NSHDSACASA-N 273.323 3.685 30 20 CHED C#CCCc1noc(-c2ccc(CCC(F)(F)F)cc2)n1 762008099 YWIRYUDFJIKAKC-UHFFFAOYSA-N 294.276 3.797 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCc2nc(C)ncc2C1 768515927 PYOFITICZBHIQB-YOEHRIQHSA-N 289.467 3.981 30 20 CHED CC1CCC(=CC(=O)Oc2ccc(C#N)cc2F)CC1 769738569 STUHKNMJWXOGDK-UHFFFAOYSA-N 273.307 3.739 30 20 CHED Cc1ccc(CCCNc2cccc(CC#N)n2)c(C)c1 1116635991 ATKBMGVRMYQVQQ-UHFFFAOYSA-N 279.387 3.809 30 20 CHED C=CC(C)(C)CC(=O)N(C)CCCc1nc2ccccc2[nH]1 878424625 UXPFUGHVWUOQMI-UHFFFAOYSA-N 299.418 3.556 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)Cc2ccccc21 779916749 FKCZVFLUICYFHY-OAHLLOKOSA-N 269.388 3.796 30 20 CHED CC[C@@H](Nc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 774271891 LWXMAWQBLPSLFX-OAHLLOKOSA-N 280.327 3.850 30 20 CHED CCOc1ccc2c(c1)[C@H](/N=C/c1ccccc1O)CCO2 773909070 ZVAZUEOUSNRLQB-PUMYGXPMSA-N 297.354 3.734 30 20 CHED C#CCOc1cccc(Cl)c1CN[C@@H]1CCC(F)(F)C1 778173578 LUCXGCDDADYXBM-LLVKDONJSA-N 299.748 3.629 30 20 CHED C=CCC[C@H](C(=O)OC[C@@H]1CCCCO1)c1ccccc1 777412846 VVVWVRYJFXIVEK-IRXDYDNUSA-N 288.387 3.849 30 20 CHED CCCCCCCCNC(=O)C(C)(C)c1cccnc1 778396169 VVTXYLIOOYBODE-UHFFFAOYSA-N 276.424 3.836 30 20 CHED C[C@@H]1C[C@@H](CC(=O)OCC2(C#N)CC2)CC(C)(C)C1 775854926 JNNUHZOJBNRVBZ-OLZOCXBDSA-N 263.381 3.686 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2cccc(C#N)c2C)o1 770334375 NWVOOIYLDYDVPU-LBPRGKRZSA-N 268.316 3.510 30 20 CHED CC#CCCNC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 779447563 YOFHMMWCZZGVTB-ZRDIBKRKSA-N 295.304 3.638 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cccc(OCCC(C)C)c1 770280019 YYGVXQQUHMBZIW-CQSZACIVSA-N 288.391 3.597 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@H](C)CC(C)C 775939030 JFVZQAWGYVVVPY-CQSZACIVSA-N 273.376 3.709 30 20 CHED C[C@@H](Cc1ccco1)N[C@@H]1CCCc2cc(C#N)ccc21 775362920 JQOYZZDEJKHCRG-SCLBCKFNSA-N 280.371 3.749 30 20 CHED CC(C)COc1ccc(C(=O)OCCC(C)(C)C#N)cc1 776354975 QJNTUTHXIKWLCW-UHFFFAOYSA-N 289.375 3.818 30 20 CHED N#C[C@H](C(=O)[C@H]1CCc2c(Cl)cccc21)c1ccccn1 776076169 KXBLLJOEZLBBON-KBPBESRZSA-N 296.757 3.641 30 20 CHED C=CCC1(O)CCN([C@@H](C)c2ccc(F)c(Cl)c2)CC1 886761666 ITWZIURUKYYWPL-LBPRGKRZSA-N 297.801 3.943 30 20 CHED Fc1cccc(NN=Cc2ccc3cnccc3c2)c1 782202047 WCWVFSLNUMQJKO-UHFFFAOYSA-N 265.291 3.820 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCCc1ccc(F)cc1 1127069631 WBGAIUPQBWZXGR-UHFFFAOYSA-N 296.345 3.967 30 20 CHED C=CC[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccncc1 781640674 CAGSIWQEAKVCLJ-HUUCEWRRSA-N 272.392 3.641 30 20 CHED CCc1ccccc1CC(=O)O[C@@H](C)c1ccc(C#N)cc1 785888879 HQXFMOJDSGTZKI-AWEZNQCLSA-N 293.366 3.968 30 20 CHED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCCO1 783840170 DKOSBFAKSGQLJS-ZDUSSCGKSA-N 297.280 3.544 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc(F)cc1C)OCC 784265468 JMHCJSBXQZRSEP-OAHLLOKOSA-N 280.339 3.549 30 20 CHED COc1cccc2cc(CN3CCC(CC#N)CC3)oc12 781928326 XXEHZTZHGFUROX-UHFFFAOYSA-N 284.359 3.567 30 20 CHED Cc1cccc(N(C)C(=O)c2cc(C#N)ccc2F)c1C 1125325813 CJMSIHOMVJPAOU-UHFFFAOYSA-N 282.318 3.591 30 20 CHED CC(C)(C#N)CC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 782835803 SPYMJEIJUHIAKI-UONOGXRCSA-N 278.440 3.895 30 20 CHED C=C(Br)CN1CCC[C@H]1c1ccccc1OC 69610432 RDSORRGKTKMUBY-ZDUSSCGKSA-N 296.208 3.741 30 20 CHED CCC(=NNc1ccc(Cl)c(OC)c1)[C@H]1CCOC1 788471919 KEYPTHSXWHXNNV-JTQLQIEISA-N 282.771 3.563 30 20 CHED CC(C)(C)C1CCC(=NNCCc2ccncc2)CC1 789084639 AZBALTWPCKBZBF-UHFFFAOYSA-N 273.424 3.806 30 20 CHED CCOC(=O)[C@@H]1CCC(=NN[C@H]2CCCC2(C)C)C[C@@H]1C 782287720 NPFLSSYUOGEWGZ-CFVMTHIKSA-N 294.439 3.510 30 20 CHED C=C1CCC(C(=O)N[C@H](c2ccccc2)C(F)F)CC1 891159793 PUTDGFGXBKWCOY-CQSZACIVSA-N 279.330 3.855 30 20 CHED CC[C@@H]1CCC[C@H](C=Nn2c(S)nnc2C(C)(C)C)C1 783800100 NWBDTVGOLYKORZ-NEPJUHHUSA-N 294.468 3.915 30 20 CHED C[C@@H](OC(=O)c1csc(Cl)n1)c1cccc(C#N)c1 784840545 XGUPPQICEBJMGI-MRVPVSSYSA-N 292.747 3.586 30 20 CHED CCC(=NOC[C@@H]1CCOC1)c1c(F)cccc1Cl 788032697 BFSIAPKXCHRFMQ-SNVBAGLBSA-N 285.746 3.646 30 20 CHED C=C1CC(c2noc(C[C@@H](C)c3ccccc3OC)n2)C1 896882106 QQGCMNKDUDHXGJ-GFCCVEGCSA-N 284.359 3.858 30 20 CHED Cc1cc(CN2CC[C@@H](C3CCCC3)C2)ccc1C#N 1462387609 REURZTLUUNKBCF-GOSISDBHSA-N 268.404 3.879 30 20 CHED CC[C@@H](CC#N)NCc1c(C)nn(-c2ccccc2C)c1C 894469084 KCWUIWFMIZGUFI-INIZCTEOSA-N 296.418 3.579 30 20 CHED Cc1cc(COC(=O)c2ccc(F)c(C#N)c2)c(C)s1 792307874 XIJQQKKKRDURPD-UHFFFAOYSA-N 289.331 3.733 30 20 CHED Clc1cccc(NN=Cc2c[nH]nc2-c2ccccc2)n1 793181049 HKYSOMWZTBZRCA-UHFFFAOYSA-N 297.749 3.571 30 20 CHED CCCCc1ccc(C(=O)N(CC#N)c2ccccn2)cc1 892463320 AVTKLKSCWLGLPF-UHFFFAOYSA-N 293.370 3.595 30 20 CHED COCc1ccc(CN(CCC#N)CC(C)(C)C)cc1 93101160 SYAQHJYWUVIXTA-UHFFFAOYSA-N 274.408 3.595 30 20 CHED COc1cc(/C=C2/CCc3ccc(O)cc3C2=O)ccc1C 794960652 VQMWENMDFXXQBH-DHDCSXOGSA-N 294.350 3.922 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1c(F)ccc(O)c1F)C2=O 794935760 UCCQYVFRTQRFIS-DHZHZOJOSA-N 286.277 3.801 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1C#N 799299365 FYBPJSBISLGHTC-CYBMUJFWSA-N 296.345 3.839 30 20 CHED COCCC[C@H](Cc1ccccc1)/N=C/c1ccccc1O 794834109 QROLGUOSKLONPW-KETZHDHUSA-N 297.398 3.849 30 20 CHED CCCCC[C@H](NC(=O)NCC1(CC#N)CC1)C(C)(C)C 797460899 WUDQOXJRXKMSIS-AWEZNQCLSA-N 293.455 3.974 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)c(OC)c1)c1ccccc1 799336613 VAMIIXLZXIYVAS-LJQANCHMSA-N 294.398 3.982 30 20 CHED CON(CCCC(C)(C)C#N)C[C@H]1C[C@H]2CC[C@H]1C2 795201679 NLXRGZJAMZMKLM-SOUVJXGZSA-N 264.413 3.616 30 20 CHED CC(F)(F)c1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 796712320 MBZJDUAJKMVBJN-UHFFFAOYSA-N 287.265 3.889 30 20 CHED C#CCN(C)C(=O)C1(Cc2cccc(Cl)c2)CCCC1 790964784 KUBZXNRAHBZFQR-UHFFFAOYSA-N 289.806 3.535 30 20 CHED N#Cc1cc(C(=O)OCc2cc3ccccc3o2)ccc1F 790164948 RCJYQNJJNLBGDI-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CCCCCCCCC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 791836345 RGLZJRJSBMDZAG-ZBFHGGJFSA-N 281.440 3.763 30 20 CHED CCCCCCCCC(=O)Oc1ccc2c(c1)CC(=O)N2 797351781 WPBHRJXIVKYJIJ-UHFFFAOYSA-N 289.375 3.837 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccnc(F)c2)c1 794720375 QFKJMWPLVOFGST-HWKANZROSA-N 259.255 3.564 30 20 CHED COc1c(C)ccc(NC(=O)c2ccc(C)c(C#N)c2)c1C 799307142 DYZXCITXJRIRRQ-UHFFFAOYSA-N 294.354 3.744 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1 583753679 CNQIARIMPPYRFJ-OAHLLOKOSA-N 268.360 3.828 30 20 CHED CC1(C)CCCC[C@@H]1NCc1cccc(OCC#N)c1 94323032 YMTGFSQILGOOOX-INIZCTEOSA-N 272.392 3.647 30 20 CHED CCC1(CC)CCC(N=c2cc[nH]c(C#N)c2)CC1 1639865763 OFYLENBWFXDDMC-UHFFFAOYSA-N 257.381 3.536 30 20 CHED C=CC[C@H](N[C@H](C)c1cc2ccccc2o1)C(=O)OCC 1328216299 TVOKDQVNBUPUBB-OCCSQVGLSA-N 287.359 3.591 30 20 CHED C=CCN(CCc1ccco1)CCc1ccc(F)cc1F 1320304890 KHOBHAKKUJDUPG-UHFFFAOYSA-N 291.341 3.831 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1332594207 KZNXUAQERPJZCH-BXUZGUMPSA-N 294.370 3.718 30 20 CHED CC1(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 1339243836 OJNCETRFJAFAHJ-UHFFFAOYSA-N 292.382 3.779 30 20 CHED N#Cc1csc(-c2nnc(-c3cccc(Cl)c3)o2)c1 1341384971 SOBBDLDULFCIMA-UHFFFAOYSA-N 287.731 3.990 30 20 CHED C[C@H](OC(=O)[C@H]1CC2CCC1CC2)c1ccc(C#N)cc1 1265620312 GNVMSFAOIBZJDG-KLBWVBMESA-N 283.371 3.989 30 20 CHED C=CCCOC(=O)C1(C(F)(F)F)CCCCC1 1346778756 KNTUYPQTSQIXDS-UHFFFAOYSA-N 250.260 3.619 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 1262612589 HVPYRWRCVXJCSV-NVXWUHKLSA-N 271.404 3.822 30 20 CHED N#Cc1cccc2c1CCN2C(=O)c1coc2ccccc12 1436918170 DWKWJGAZCICXQQ-UHFFFAOYSA-N 288.306 3.507 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2cc(C#N)ccc2F)C1 218940236 SPEWTDOKSFTFGF-TZMCWYRMSA-N 260.356 3.613 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)CCC(C)C 1293066113 XTACQJBEFNCRQE-CVEARBPZSA-N 278.440 3.991 30 20 CHED C=C(CC)C(=O)N1CCCCC[C@@H]1c1ccc(C)o1 1519564504 ZYBLWUGTACWBDB-CQSZACIVSA-N 261.365 3.998 30 20 CHED CN(Cc1ccccc1F)c1c(F)cc(C#N)cc1F 111141792 NJGLEHQYNKTBTA-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(C(=O)O)c1Cl 1602807858 WWMONPQEQANBHP-UHFFFAOYSA-N 281.739 3.579 30 20 CHED COc1cc(CNC[C@@H]2CCC[C@H](C)[C@H]2C)ccc1C#N 1474131864 WZGACDIQQRNQLM-VBQJREDUSA-N 286.419 3.729 30 20 CHED CC[C@H](CC(C)C)C(=O)N(CCC#N)CCC(C)C 1616434357 BUSUWCNBSIBHTD-OAHLLOKOSA-N 266.429 3.847 30 20 CHED COc1ccc(C#N)cc1CNc1cc(F)ccc1Cl 227260115 RHEHGBPMUHGVGA-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCc1ccc2c(c1)CCN(c1cccc(F)c1C#N)C2 1559305131 WJNNGQGAJXHWKG-UHFFFAOYSA-N 280.346 3.822 30 20 CHED C=CCC1(C(=O)N2CCNc3ccccc32)CCCC1 1574893216 SFAAKDARXMBMMH-UHFFFAOYSA-N 270.376 3.582 30 20 CHED C=CC[C@H](N[C@@H](C)c1cc(OC)c2ccccc2c1)C(=O)O 1588746877 WIXVVDHUQKUXNO-LRDDRELGSA-N 299.370 3.528 30 20 CHED CN(C(=O)c1cccc(C#N)c1)c1ccc(F)cc1Cl 1586932764 IQIHNCUVSYHIHP-UHFFFAOYSA-N 288.709 3.627 30 20 CHED N#Cc1nc(SCC2CCCC2)ccc1Cl 1651514877 MPXNESSJLFDMTI-UHFFFAOYSA-N 252.770 3.889 30 20 CHED CC(C)(CNC(=O)c1ccc(Cl)c(C#N)c1)C1CCC1 1587596357 IWNUXYVEZOVIOX-UHFFFAOYSA-N 290.794 3.768 30 20 CHED Cc1cc(N(C)Cc2ccc(Cl)c(F)c2)c(C#N)cn1 1651711031 ZCDQLLXDIXZYMO-UHFFFAOYSA-N 289.741 3.691 30 20 CHED C=CCCC(CC)=NNc1ccc(F)c(C(=O)O)c1 1588777776 JWNPUMVLYGCDCF-UHFFFAOYSA-N 264.300 3.668 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCC[C@@H]3C[C@H]23)c1C#N 1651930943 UYQOJTGQWXIVPX-NRUUGDAUSA-N 261.756 3.516 30 20 CHED CC(C)C1(C)CCN(CCc2ccc(C#N)cc2)CC1 1654221356 JABZLZKMCVQAPE-UHFFFAOYSA-N 270.420 3.859 30 20 CHED C[C@@H]1/C(=C\c2ccc(C(=O)O)s2)C(=O)c2ccccc21 1777408032 UIZLOOVBERQERZ-ITTMYVLYSA-N 284.336 3.830 30 20 CHED C=C1CCC(C(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)CC1 1776145982 NKJJPORDRUOIHT-UHFFFAOYSA-N 298.342 3.551 30 20 CHED O=C(O)c1ccc(NN=C2CC3(C2)C[C@H]2CC[C@H]3C2)cc1 1776014123 HUHDEOLGECKOBX-WROFMUQLSA-N 284.359 3.753 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@@H](CC)c2ccccc2)C1 1776154596 MROSSHRDOKZTJL-FUHWJXTLSA-N 287.403 3.881 30 20 CHED CC(=NO[C@H](C)c1ccccc1)c1cccc(C(=O)O)c1 1776083322 XUPKFRNPPIGNKB-CYBMUJFWSA-N 283.327 3.887 30 20 CHED C=CCN(C)C(=O)c1ccc(N(CC)CCCC)cc1 161378451 RKGNSSMDXCCNRU-UHFFFAOYSA-N 274.408 3.571 30 20 CHED CC[C@H](C#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 158898024 ZFPPKZJUPDRBLK-ARLHGKGLSA-N 262.397 3.567 30 20 CHED C=CCN(Cc1ccc(F)c(C#N)c1)Cc1cccs1 160562208 UMOIIWSSRDKUTD-UHFFFAOYSA-N 286.375 3.947 30 20 CHED C[C@@H]1OCC[C@H]1SCc1ccccc1C(C)(C)C#N 163877445 COSCLVDJOLNCJG-SWLSCSKDSA-N 275.417 3.898 30 20 CHED CCn1nccc1/C=C/C(=O)c1coc2ccccc12 152674812 GDSPNWDCZDOLRE-BQYQJAHWSA-N 266.300 3.545 30 20 CHED CC(C)CC1(CNCc2ccc(O[C@@H](C)C#N)cc2)CC1 152855775 SCCQMKKAILIVJA-HNNXBMFYSA-N 286.419 3.893 30 20 CHED CCCc1ccccc1NC(=O)CNc1cccc(C#N)c1 152587551 PJLLDMWBXXPGGG-UHFFFAOYSA-N 293.370 3.561 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](CCC#N)c1ccccc1 153277558 WZICHSRPIMITGE-KRWDZBQOSA-N 282.387 3.916 30 20 CHED C=CCN(C)C(=O)Nc1ccc(SC(F)F)cc1 156055619 ZNRKAPXIMKUVTN-UHFFFAOYSA-N 272.320 3.651 30 20 CHED C=C(C)CNC(=O)Nc1ccc(COC2CCCC2)cc1 157466153 WJYDMPCKDZESAT-UHFFFAOYSA-N 288.391 3.843 30 20 CHED N#Cc1ccc(CN[C@@H]2CSCc3ccccc32)cc1 37748492 ALKXHILLRQEKCJ-QGZVFWFLSA-N 280.396 3.636 30 20 CHED N#Cc1c(F)cccc1Oc1cc(Cl)nc(C2CC2)n1 162785679 OAIQXXRNCMYSGE-UHFFFAOYSA-N 289.697 3.810 30 20 CHED N#CC1(NC(=O)c2ccc(Cl)cc2Cl)CCCCC1 40216393 REIKNDCLLJYZFO-UHFFFAOYSA-N 297.185 3.950 30 20 CHED N#Cc1ccc(OCC[C@H](O)c2ccccc2)cc1Cl 402424670 DLZSJDQUWCLUHR-INIZCTEOSA-N 287.746 3.714 30 20 CHED C=C[C@H](CO)N[C@H](CC)c1ccc(Cl)cc1Cl 353565904 LHEVZXURMVIORT-ZWNOBZJWSA-N 274.191 3.581 30 20 CHED CC[C@@H](C[C@H](C)CC)NCCc1cccc(C#N)c1 467429823 NQCVMUWSXCYETE-PBHICJAKSA-N 258.409 3.905 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)c1nccs1 86509984 MPFNKAQCNBGFCM-LBPRGKRZSA-N 287.388 3.999 30 20 CHED N#Cc1csc(CNCc2ccccc2OC(F)F)c1 93492229 SGSIPDWUNSLRQG-UHFFFAOYSA-N 294.326 3.511 30 20 CHED N#Cc1ccc(Cl)cc1N[C@@H]1CCOC2(CCC2)C1 94373968 XMFLXSVLHMUOQX-CYBMUJFWSA-N 276.767 3.725 30 20 CHED C=CCN(Cc1ccccc1)C(=S)NCc1ccccc1 914601761 NQRWQTSXCLGNKJ-UHFFFAOYSA-N 296.439 3.749 30 20 CHED CN(Cc1cccc2ccccc12)c1ccnc(C#N)c1 555893533 AAAJHEBKMTUCLA-UHFFFAOYSA-N 273.339 3.743 30 20 CHED N#C[C@H](C(=O)/C=C/c1ccccc1)c1nc2ccccc2o1 54735117 GBSIUMKICADNDN-PLSXKVAHSA-N 288.306 3.717 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2coc3ccccc23)C1 116811032 JXXKYQRGNSTFTD-YVEFUNNKSA-N 282.343 3.635 30 20 CHED C[C@H]1CN(Cc2ccccc2C#N)[C@H]1c1ccccc1 245416492 FFBAOURQHBVIBV-KBXCAEBGSA-N 262.356 3.751 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H](C)[C@H]1C)c1ccccc1 179548192 WSNDQIMEWVAJGX-BZUAXINKSA-N 271.404 3.993 30 20 CHED C=CCCCC(=O)N(CC)c1ccc(C#N)c(Cl)c1 179522247 YSKKYYKRJALZJE-UHFFFAOYSA-N 276.767 3.921 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1sccc1C#N 52027893 BVGGMUKPBZQZLZ-NSHDSACASA-N 264.394 3.564 30 20 CHED Cc1ccc(C#N)cc1OCc1nc(C)c(C)s1 177648364 NAQFCVGJZBASCO-UHFFFAOYSA-N 258.346 3.519 30 20 CHED CCCCCCCC(=O)Nc1sc(C)c(C)c1C(N)=O 102838846 QUIMSXAEZMPLGE-UHFFFAOYSA-N 296.436 3.763 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)Cc1ccc(Cl)s1 116973246 CRTZVXKIHMNPOJ-SECBINFHSA-N 272.801 3.508 30 20 CHED N#Cc1cccc(CNC(=O)NCCCC2CCCCC2)c1 61915188 NVALZXSGKBTAPH-UHFFFAOYSA-N 299.418 3.718 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1 179414270 LSXWBCWVJJXYMT-XBXARRHUSA-N 273.719 3.640 30 20 CHED C=CCSCc1coc(-c2ccc(OC)cc2)n1 114756540 DBDIFXINYDWIRS-UHFFFAOYSA-N 261.346 3.769 30 20 CHED C=CCCCSc1nnc(N2CCCCC2)n1C1CC1 117550206 MKIWNVJPPATCLA-UHFFFAOYSA-N 292.452 3.662 30 20 CHED C/C=C/C=C/C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 68457331 IEMAJBRYCFLBAS-VGOFJFCRSA-N 295.169 3.807 30 20 CHED C=CCCCC(=O)N[C@H]1CCc2c(Cl)cccc21 175413755 FENPAEFWXKGUIY-AWEZNQCLSA-N 263.768 3.800 30 20 CHED CC(C)COc1ccccc1CNc1ccc(C#N)cn1 60451318 PUVBXKXMFRLRHF-UHFFFAOYSA-N 281.359 3.600 30 20 CHED Cc1nn(C)c(Cl)c1CSCc1cccc(C#N)c1 68954622 PGNNMPYDUXYAPL-UHFFFAOYSA-N 291.807 3.687 30 20 CHED C=CCCSCC(=O)Nc1ccc(SC)cc1 172671158 YIXSRQIGBQXGCV-UHFFFAOYSA-N 267.419 3.656 30 20 CHED C=CCOCCCC(=O)Nc1cc(C)c(Cl)cc1OC 173054542 SLRRJXDAHOBFCS-UHFFFAOYSA-N 297.782 3.578 30 20 CHED Cc1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)ccn1 119452134 NQFHLMSJQCUCCJ-MRXNPFEDSA-N 294.358 3.557 30 20 CHED C=C(Br)CNc1ccnc2ccsc12 307534038 HONZPOPPNAQRJH-UHFFFAOYSA-N 269.167 3.617 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1ccc(C)cc1 174106272 QDHDYQGZOJGMBE-AWEZNQCLSA-N 262.349 3.582 30 20 CHED N#Cc1nc(NCc2cccc3cccnc23)ccc1Cl 67370037 GKHHRKKPYHZUMQ-UHFFFAOYSA-N 294.745 3.767 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)CC1CC1 112751907 PDHVKDJSPYQLEZ-ZDUSSCGKSA-N 290.382 3.712 30 20 CHED CC1(C)C[C@H](Nc2nc3c(cc2C#N)CCCC3)C(C)(C)O1 302024743 GHHJYLASDQZZNE-HNNXBMFYSA-N 299.418 3.590 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2nc(C)sc2c1 116997729 LKQQPMAHVICQFF-SECBINFHSA-N 275.377 3.691 30 20 CHED CCN(CCc1ccccc1)c1snc(Cl)c1C#N 301919921 DJNVXXMRFYFZNY-UHFFFAOYSA-N 291.807 3.737 30 20 CHED CC[C@@](C)(NCc1ccc(F)c(C#N)c1)c1nccs1 121405369 AEIZOHZHYMIIRO-OAHLLOKOSA-N 289.379 3.569 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccc(F)c(F)c1 63277353 JGEXUUMGIRTMDU-FNORWQNLSA-N 290.313 3.882 30 20 CHED C=CCOc1ccc(OCc2ccc(Cl)cn2)cc1 120269496 YRRDJRLXIOYPMV-UHFFFAOYSA-N 275.735 3.879 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(C)[nH]c2ccccc12 182655665 DZJZZZRHLDCNJW-LBPRGKRZSA-N 270.376 3.951 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccc(C)c2F)cc1 181791297 KJZNGGYISHOULN-UHFFFAOYSA-N 285.318 3.951 30 20 CHED CC(C)[C@H]1CCCN(c2ccc(Cl)c(C#N)n2)CC1 301301264 RGSKQXKWUINGAN-LBPRGKRZSA-N 277.799 3.869 30 20 CHED CCCCOc1cccc(CNc2ncccc2C#N)c1 76828700 FIZUZNYKIYXVMC-UHFFFAOYSA-N 281.359 3.744 30 20 CHED CC(C)(C#N)CCN1CCC(OCC2CCCC2)CC1 119727687 LOABVNWILXNJSM-UHFFFAOYSA-N 278.440 3.597 30 20 CHED CC1CCC(N(C)C(=O)Nc2ccc(F)c(C#N)c2)CC1 77500262 MFPJTDRBLWFQNQ-UHFFFAOYSA-N 289.354 3.740 30 20 CHED COc1ccc(Cl)c(NCc2ccc(C#N)s2)c1 124152018 MXUAPYZEMISUOP-UHFFFAOYSA-N 278.764 3.894 30 20 CHED C[C@@H](C#N)NC(=O)c1ccc(SCc2ccccc2)cc1 125222831 CEVNMJKZEZTJII-ZDUSSCGKSA-N 296.395 3.621 30 20 CHED CCOc1ccccc1CCN[C@H](C)c1cccc(C#N)c1 181932772 YIYCCQQQUXLGIB-OAHLLOKOSA-N 294.398 3.850 30 20 CHED CC(C)[C@H](CN[C@H]1CCC[C@H](C#N)C1)Nc1ccccc1 185769058 OFHNEPMTRROUOA-SZMVWBNQSA-N 285.435 3.795 30 20 CHED C[C@H](CNc1ccc(Cl)cc1C#N)c1nccs1 230610764 HFMLMVPUHIVKQC-SECBINFHSA-N 277.780 3.884 30 20 CHED C=CCOCCSCCOc1ccc(F)cc1Cl 419441431 TZKVTLOXPGDTPV-UHFFFAOYSA-N 290.787 3.794 30 20 CHED CC(C)(C)[C@@H](NC(=O)CSCCC#N)c1cccs1 413012668 MOVAHWQZHXOKJM-ZDUSSCGKSA-N 296.461 3.598 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(CC(C)C)c[nH]1 411741232 ZIUORLHFKLZIEQ-UHFFFAOYSA-N 281.359 3.646 30 20 CHED C=CC(C)(C)CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412380384 QRVAPRMBCSETKB-PBHICJAKSA-N 257.377 3.509 30 20 CHED CC(C)(C#N)CC(=O)Nc1nc2c(s1)CC(C)(C)CC2 416123316 PZDWMIWLGRYSIP-UHFFFAOYSA-N 291.420 3.536 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccoc1CC 412811439 BWPKHVFAFKJFAJ-HNNXBMFYSA-N 283.371 3.759 30 20 CHED O=C(Nc1cccc(C#Cc2ccccc2)c1)C1CCC1 73481237 IGOPLCPTBRMJJE-UHFFFAOYSA-N 275.351 3.825 30 20 CHED C=C(Cl)CNCc1ccc(Cl)cc1Br 158606042 IBSFHQRONDWEMX-UHFFFAOYSA-N 295.007 3.945 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(C)c(F)c2)s1 79263313 WWSIMQLMILMWPW-UHFFFAOYSA-N 288.347 3.882 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1coc(C)c1 187729632 BGQYOUWXLMASLN-UHFFFAOYSA-N 282.343 3.512 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccc(F)cc1F 182579771 MWMLVNAWJCJEQU-LLVKDONJSA-N 288.297 3.868 30 20 CHED Cc1nc(CNc2ccccc2O[C@H](C)C#N)sc1C 182549968 LQVCFBUROUVPQB-SNVBAGLBSA-N 287.388 3.663 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCc1ccccc1 187430230 PYTSXGIRBJWRGH-OAHLLOKOSA-N 264.372 3.794 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C(CC)CC)cc1 49866442 UEGYJHHCHLKZNV-MRXNPFEDSA-N 272.392 3.708 30 20 CHED COC(=O)[C@H](CC(C)(C)C)Sc1ccccc1C#N 181008180 OETMTQJXQWLDOP-ZDUSSCGKSA-N 277.389 3.628 30 20 CHED Cc1cc(C#N)cc(N[C@@H](C)C2CCSCC2)c1 449757939 FGFLFKHWRXOVET-LBPRGKRZSA-N 260.406 3.810 30 20 CHED CC[C@@H](CN(CC)C[C@H](C#N)CCC#N)c1ccccc1 186609450 OISUOEGPFUHSFZ-IRXDYDNUSA-N 283.419 3.946 30 20 CHED C=CCSCCNC(=O)N(C1CCC(C)CC1)C1CC1 509199160 DNGMIECPNCQKHD-UHFFFAOYSA-N 296.480 3.658 30 20 CHED Cc1c(CNc2ccc(C#N)cc2F)cccc1[N+](=O)[O-] 135642283 ACOWYHFGGABJAR-UHFFFAOYSA-N 285.278 3.526 30 20 CHED N#Cc1ccc(-c2nc(CC3CCCCC3)no2)cc1 379108907 SSBXHCNLOOIUGF-UHFFFAOYSA-N 267.332 3.731 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 416095895 HEUXKKJGUMNEPW-NVXWUHKLSA-N 296.414 3.878 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/[C@@H]1CCCC(F)(F)C1 329523448 PXKMTTFDQGTSLC-SNVBAGLBSA-N 284.306 3.743 30 20 CHED Cc1ccc(Nc2c(C#N)nnc3ccccc23)cc1C 41529613 DURAQSVIBMDXSG-UHFFFAOYSA-N 274.327 3.862 30 20 CHED C#CCCCC(=O)N1c2ccccc2CC[C@@H]1CC 192370927 IWODCVAWVSQCLH-HNNXBMFYSA-N 255.361 3.548 30 20 CHED CCC(CC)(CNC(=O)C1(C#N)CCCC1)c1ccccc1 81311793 KURPZFGHCJQNSG-UHFFFAOYSA-N 298.430 3.945 30 20 CHED C=CCC1(C(=O)N[C@H](CC)Cc2ccccc2)CCC1 191155572 CDGJRQXSJVJBHM-MRXNPFEDSA-N 271.404 3.870 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 190454554 MVGXCQRJLZMOQF-INIZCTEOSA-N 290.363 3.624 30 20 CHED C=CCCCOc1ccc(Br)cc1[N+](=O)[O-] 88452142 ATYBZDOGHMVJIN-UHFFFAOYSA-N 286.125 3.702 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1cccc(C#N)c1 42227080 LHVMLXAAKPGSGV-LBPRGKRZSA-N 256.374 3.813 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2c2ccc(C#N)nc2)c1 131543350 UFHQKCZJLMVQIT-GOSISDBHSA-N 277.371 3.912 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/CCc2cc3ccccc3o2)CCC1=O 328960935 PSDRZIKDXDEWNT-TZMCWYRMSA-N 299.370 3.937 30 20 CHED O=C1CCC(C(O)=Nc2nc3ccsc3s2)CC1 329898678 MLISYGPRDMFPTC-UHFFFAOYSA-N 280.374 3.705 30 20 CHED COCCCCO/N=C(/C)c1cc2ccccc2o1 134620389 BKRCCBWAKZUADT-VBKFSLOCSA-N 261.321 3.600 30 20 CHED N#Cc1c(Cl)nsc1NCCC1=CCCCC1 48544210 YBUJAMQVXRJMAG-UHFFFAOYSA-N 267.785 3.971 30 20 CHED Cc1cnccc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 516537824 UXKFEVAKZYSHLN-RTBURBONSA-N 291.398 3.662 30 20 CHED OC1=NCC[C@@H](C(O)=Nc2ccc(F)c(C3CC3)c2)C1 329799436 HLFUHEFQPPVULP-SNVBAGLBSA-N 276.311 3.658 30 20 CHED C[C@H]1OCC[C@@]1(C)NC(O)=Nc1cccc2ccsc12 329581566 VEBFXPBZNXQPKZ-MEBBXXQBSA-N 290.388 3.604 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1c1cccc(C#N)n1 420648366 YTBOVNRJMVRMMO-INIZCTEOSA-N 277.371 3.726 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(F)c1 48417867 HWBVDPYPRRVKGX-IZZDOVSWSA-N 299.345 3.796 30 20 CHED N#Cc1cccc(CN2CCC[C@@H](CC(F)(F)F)C2)c1 420950118 PONBCKPGKRHDTM-AWEZNQCLSA-N 282.309 3.723 30 20 CHED C=C[C@@](C)(CC)c1nc(COc2ccccc2)no1 191160412 STKBZXJKERCEJM-HNNXBMFYSA-N 258.321 3.502 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)CS1 86934759 VQTGQFYIOIYOPR-KWQFWETISA-N 252.770 3.518 30 20 CHED C=CCOCCN(C(C)C)[C@@H](C)c1ccsc1 421019562 YGAFNRHEXTWTIR-ZDUSSCGKSA-N 253.411 3.722 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(Cl)ccc1Cl 87759915 JSYANKKGXIOAIV-SECBINFHSA-N 257.164 3.727 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C/c1cnc(C(C)(C)C)s1 80348395 PVBCGZCRQFNYHL-ANYFNZRUSA-N 278.421 3.535 30 20 CHED N#CC1(C(=O)NCc2csc3ccccc23)CCCC1 336115955 HRDLYRRNHCDZRX-UHFFFAOYSA-N 284.384 3.601 30 20 CHED CC(C)CC1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCC1 333595899 UHOBOYCOWDCXQS-GOSISDBHSA-N 288.435 3.793 30 20 CHED Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)c2ncccc2c1 336422221 VQEUVNMDKVMKOD-TZMCWYRMSA-N 251.333 3.647 30 20 CHED CO[C@H](C)c1nc(COc2ccc(C#N)cc2C)cs1 177583912 ROECNYHCDGNXRR-LLVKDONJSA-N 288.372 3.610 30 20 CHED C=CCCS[C@H]1CCCN(c2ccccc2F)C1=O 339090344 JQNWPZIZRYSRMA-AWEZNQCLSA-N 279.380 3.630 30 20 CHED CCCCOc1cccc(NCc2cc(C#N)n(C)c2)c1 190849322 NQHFALINLMZZRG-UHFFFAOYSA-N 283.375 3.688 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1CCCCC1 333522356 HETULBCOUJUWEW-SUMWQHHRSA-N 274.408 3.545 30 20 CHED C=CCCCCOC(=O)/C=C/c1ccc(OC)c(OC)c1 140096214 DWZKYCBMBJBUJJ-PKNBQFBNSA-N 290.359 3.617 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 333899505 SIWOXERNXUVIOY-LBTNJELSSA-N 288.435 3.791 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1 424805515 HEETZKZJVIHRPL-UHFFFAOYSA-N 267.319 3.526 30 20 CHED CCC(CC)(C(=O)Nc1cccc(C#N)n1)c1ccccc1 514603964 BULRCKXPFIYMJU-UHFFFAOYSA-N 293.370 3.650 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@@](C)(C#N)CC(C)C)c1 330478603 KVMZTPCQYUOFTE-WMLDXEAASA-N 272.392 3.543 30 20 CHED CO[C@H](C/N=C(/O)c1scnc1C(C)C)C(C)(C)C 331332125 SEPNKENDLHPEMD-SNVBAGLBSA-N 284.425 3.632 30 20 CHED C[C@@]1(c2ccccc2)CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)C1 424334034 VGOIZFVZVYWLCE-DZOHQFGASA-N 268.404 3.779 30 20 CHED COc1c(Cl)cccc1NCc1cccc(C#N)c1 530910721 FYWODCGHZRUFAF-UHFFFAOYSA-N 272.735 3.832 30 20 CHED COC1CCC(N(C)c2ccc3cc(C#N)ccc3n2)CC1 92898275 IKPXHHNQXJVDKN-UHFFFAOYSA-N 295.386 3.500 30 20 CHED CC[C@@H](CC(=O)Nc1scc(C)c1C#N)C(C)C 517431379 IMFYZTPHUPZVQU-NSHDSACASA-N 264.394 3.939 30 20 CHED C=CCC[C@@H](NC[C@H](C)Oc1ccccc1F)C1CC1 438988278 CKSBAKCGCUIEKY-XJKSGUPXSA-N 277.383 3.927 30 20 CHED Cc1cc(N[C@H]2CC[C@@H](C#N)C2)c2ncccc2c1 336422220 VQEUVNMDKVMKOD-OCCSQVGLSA-N 251.333 3.647 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](c1ccccc1)C(C)C 436072131 FKZIQSPLWFNHIV-INIZCTEOSA-N 282.343 3.587 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCOc2c(F)cccc21 437098570 PXSUBHKHHIZGLW-SWLSCSKDSA-N 263.356 3.984 30 20 CHED C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)c(F)c1 344101464 HRFXGZHJDYGAMP-RKDXNWHRSA-N 274.261 3.689 30 20 CHED N#Cc1ccc(CN(C#N)c2ccccc2)c(Cl)c1 438888122 RSIVOPZBUZJXOJ-UHFFFAOYSA-N 267.719 3.699 30 20 CHED C=CCCC(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 522573829 KZUPDYYMWSKEOS-OAHLLOKOSA-N 289.419 3.877 30 20 CHED COc1cccc2c1CCCN2Cc1ccc(C#N)c(F)c1 433316385 GBCSWLBLEULITP-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CC(F)(F)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 340426753 NSGLNORQUNQELG-OCCSQVGLSA-N 264.319 3.580 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(C)c2ccc(C#N)cc2)C1 439933798 OXNZMAYXFCACIK-HIFRSBDPSA-N 270.376 3.737 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(Cc2ccccc2)no1 248823123 GCKNHAUCYPJVIH-RRFJBIMHSA-N 299.418 3.912 30 20 CHED C=C1CCN(CCCOc2cccc(Cl)c2)CC1 521743100 BMIWANJIDMKVBX-UHFFFAOYSA-N 265.784 3.761 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC1 249264273 ILHLJNWBWKJQPV-CZIWCDLHSA-N 284.403 3.733 30 20 CHED CC1(C#N)CCN(C(=O)Nc2cscc2Cl)CC1 603169304 NJTDNXQIOLGAON-UHFFFAOYSA-N 283.784 3.559 30 20 CHED CC[C@H](C)C[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 246138385 KDOUJUUMFDTCKL-SOUVJXGZSA-N 274.408 3.892 30 20 CHED C[C@H](CCC#N)CN1CCc2cc(Cl)ccc2C1 602636869 YOLQXHHNHUAEDX-GFCCVEGCSA-N 262.784 3.638 30 20 CHED C=C[C@H](C)NCc1ccc(N(C)c2ccccc2)nc1 435780936 YPDCTJUWQSJZOE-AWEZNQCLSA-N 267.376 3.514 30 20 CHED CC(C)C[C@@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 245698704 CRXODUFAHOUEQZ-WBVHZDCISA-N 286.419 3.845 30 20 CHED CCOc1ccc(/C=C/c2ccncc2C#N)cc1 347448456 RGOSNIBUMUWFJO-ZZXKWVIFSA-N 250.301 3.522 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CC[C@H](C)C1 345268494 BSIZDELAUZIMEG-ZFWWWQNUSA-N 264.413 3.601 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(CC)cc1 607507702 UJBRMMXLZJSIBC-UHFFFAOYSA-N 273.420 3.996 30 20 CHED CCOc1ccc(CNc2ccc(C#N)nc2)cc1Cl 343155847 WEGDAJMZXAHIER-UHFFFAOYSA-N 287.750 3.617 30 20 CHED COc1cc(C)c([C@H](C)N(C)[C@H](C)CC#N)cc1C 602460768 CCJGEBQJSWSROJ-KGLIPLIRSA-N 260.381 3.607 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)cc1)C2 254943190 XUYUPYVTIHRHST-NTEUORMPSA-N 250.297 3.523 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)NCCCC1CCCC1 433221774 VNPBVROVFFJJBY-GOSISDBHSA-N 298.430 3.846 30 20 CHED Cc1ccccc1OCCCN(C)C[C@@H](C)CCC#N 602447435 GIBMJDVOPOUPNQ-HNNXBMFYSA-N 274.408 3.636 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@H]2CCCC)CC1 600870126 YYUQPCOIIOHLRM-HZPDHXFCSA-N 278.440 3.953 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2cnn(CC)c2)c1 255863782 WQCJDEUNCAQYAL-HJWRWDBZSA-N 284.359 3.588 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC#Cc1ccc(F)cc1 438175369 INOUQMLGHCPSJA-HFTRVMKXSA-N 271.379 3.830 30 20 CHED O=C(/C=C\c1cccc2ccccc12)c1cnccn1 255556689 ZHBFIEZXNLNZMP-HJWRWDBZSA-N 260.296 3.526 30 20 CHED N#CCCCN(CCc1ccccc1F)C1CCCC1 346904611 MDCJPAICIIPHOK-UHFFFAOYSA-N 274.383 3.917 30 20 CHED CC(C)c1nsc(Oc2cc(Cl)ccc2C#N)n1 538937192 JOUFNLLRRUSPGG-UHFFFAOYSA-N 279.752 3.979 30 20 CHED C[C@H]1CC=CC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 340902317 GYLWQKTVPSBGPN-KBXCAEBGSA-N 294.398 3.652 30 20 CHED CC(C)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCS1 252480328 AGWBZVYHRXXYQV-CJNGLKHVSA-N 274.433 3.693 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(C)ccc2F)cc1 253479483 QQKPMHKMXBFHID-UHFFFAOYSA-N 285.318 3.951 30 20 CHED Cc1cccc(-c2nsc(N3CCC[C@@H](CC#N)C3)n2)c1 601191782 QKEFOZGAFDVHQM-ZDUSSCGKSA-N 298.415 3.644 30 20 CHED CCC[C@H](CC)NC(=O)Nc1ccc(C#N)c(Cl)c1 521682316 MQTAGZOGMROOAR-NSHDSACASA-N 279.771 3.912 30 20 CHED C=CCCC1(C(=O)N2CCc3c([nH]c4ccccc34)C2)CC1 356561756 CVZUGSLUCKRRIR-UHFFFAOYSA-N 294.398 3.799 30 20 CHED CC[C@@H](NC[C@@H](CC(C)C)N(C)C)c1ccc(C#N)cc1 447539356 GVDIFOPNTGDJTC-QZTJIDSGSA-N 287.451 3.575 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2ccccc2OC)CC1 353536167 OLCWHMCYVJVCNW-CYBMUJFWSA-N 273.376 3.619 30 20 CHED Cc1c(C#N)cccc1NCc1cn2ccccc2c1C#N 446639458 VGYJZUFRRIYFOG-UHFFFAOYSA-N 286.338 3.603 30 20 CHED CC(C)C[C@@H](CN1CCCC1)NC1CCC(C)(C#N)CC1 449388453 ZVGVLEOMXOUVHS-ADKAHSJRSA-N 291.483 3.559 30 20 CHED N#Cc1cc(F)cc(NC(=O)N(C2CCCC2)C2CC2)c1 603070031 AXMDUOKXBBSCSU-UHFFFAOYSA-N 287.338 3.636 30 20 CHED C=CCCCCCNc1ccccc1C(=O)NCC 447406572 DYUIFKUDYPGSSK-UHFFFAOYSA-N 260.381 3.595 30 20 CHED C=C(CNC(=O)c1ccn(C)c1C1CCC1)c1ccccc1 354673229 DTAKJIQAHZCDIW-UHFFFAOYSA-N 294.398 3.736 30 20 CHED CCC(CC)[C@H](CCNC1CCC(C)(C#N)CC1)OC 449211365 UWBQIYJZVADLHS-CGZBRXJRSA-N 280.456 3.890 30 20 CHED C=CCC1(CNCc2cn3ccccc3n2)CCCC1 449606657 RSJORTQZACBEOX-UHFFFAOYSA-N 269.392 3.560 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@@H](C)CCSCC 350794464 MCGUVAXCCIKTNN-ZDUSSCGKSA-N 296.484 3.555 30 20 CHED CC1CCC(c2noc(COc3ccc(C#N)cc3)n2)CC1 356225967 WAGORYWDVGCZNS-UHFFFAOYSA-N 297.358 3.814 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccn(C(CC)CC)n2)c1 269291699 UUUSJGNFZZDUGG-UHFFFAOYSA-N 295.386 3.502 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1)OCC 535908695 AURQODBUBAPHNX-OAGGEKHMSA-N 281.440 3.689 30 20 CHED C=CCCCC[C@@H](C)N[C@H](CO)c1ccc(F)cc1 449145986 AWHLZYDDWWWUJL-CZUORRHYSA-N 265.372 3.584 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618827684 MPKZXFQCANVQKZ-SUMWQHHRSA-N 297.402 3.590 30 20 CHED N#Cc1ccc(CNCC2(c3ccc(F)cc3)CC2)c(F)c1 532989719 VHLINXWAFZJMST-UHFFFAOYSA-N 298.336 3.658 30 20 CHED C=CC(C)(C)CNCc1c(C)nn(C(C)(C)C)c1C 449486542 SWMORBSFFVLKSZ-UHFFFAOYSA-N 263.429 3.557 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1csc(C)n1 269443402 TWCSRCJEDRUXNK-GFCCVEGCSA-N 288.416 3.867 30 20 CHED C=CCCC1(C(=O)N2CCO[C@](C)(c3ccccc3)C2)CC1 530288251 AKAIOGSZCQULHI-SFHVURJKSA-N 299.414 3.507 30 20 CHED C[C@@H](NCc1cc2ccccc2[nH]1)c1ccc(C#N)cc1 610341819 XKPSQXYLUKRJSI-CYBMUJFWSA-N 275.355 3.890 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2cccc(Cl)c2C1 458018213 QSDWEAIQYFQCOG-UHFFFAOYSA-N 289.806 3.993 30 20 CHED CCN(CCC#N)C(=O)Nc1ccccc1C(C)(F)F 455811011 QRBJAJHDFGRSBH-UHFFFAOYSA-N 281.306 3.566 30 20 CHED C#CCCCCNC(=O)N(Cc1ccccc1F)C(C)C 268356219 SHNMDRWBUUIYTP-UHFFFAOYSA-N 290.382 3.549 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1c1cn(C)nc1C 364443185 RVZOSAQWWLRJIV-MRXNPFEDSA-N 291.439 3.753 30 20 CHED CC(C)N(C)c1cccc(NC[C@@H](C)CCC#N)c1 618888362 QVQFMJOUQIELEZ-AWEZNQCLSA-N 259.397 3.883 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)OC1CCCCCC1 539441193 UNLCTXPTDVYQAB-LSDHHAIUSA-N 281.440 3.975 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CCOC2)cc1 268885595 YXJWOTXUFMYWDG-KGLIPLIRSA-N 295.810 3.505 30 20 CHED C=CCCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 366683734 CHXRFIFIGZTDTR-LBPRGKRZSA-N 274.339 3.722 30 20 CHED C=C(C)[C@H](NC[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(F)c(F)c1 450781514 RWZHUBSFZGOBLN-KFZJALRRSA-N 293.357 3.739 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccc(C2CCCCC2)cc1 452165154 WNIAHRPJPGPSNK-AUUYWEPGSA-N 296.414 3.900 30 20 CHED CSc1ccc(Cl)cc1NC(=O)CC(C)(C)C#N 278200201 FPYWIIGJWJOEDY-UHFFFAOYSA-N 282.796 3.940 30 20 CHED COCCC1(CN[C@H]2CCCc3cc(C#N)ccc32)CCC1 611393597 IMFWIBKNGPNLBG-SFHVURJKSA-N 298.430 3.732 30 20 CHED CC(C)(C#N)CCN1CCO[C@H](c2cccc(Cl)c2)C1 274520824 YWBCSSTXDRGXNE-HNNXBMFYSA-N 292.810 3.653 30 20 CHED C=CCC1(C(=O)N(C)C[C@@H]2OCCc3ccccc32)CCC1 276624518 OWCVUXNMLATPKZ-KRWDZBQOSA-N 299.414 3.505 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCC(C)(C)CC#N 459260359 PMOPXWPHVFBTEE-KBPBESRZSA-N 279.428 3.536 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc2ncccc2c1)OCC 270042722 OSRPTANAKKJGJJ-MRXNPFEDSA-N 284.359 3.545 30 20 CHED C=C(C)[C@@H](CC(=O)N(C1CC1)[C@H](C)c1ccco1)OCC 270043687 KKDREWKXAVQKSK-CZUORRHYSA-N 291.391 3.703 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1cc2ccc(C)cc2o1 453375303 WLDYAMQEAMBFJQ-HIFRSBDPSA-N 273.376 3.719 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2cccc(O)c2)CCCCC1 276529787 LCTYEZZCCWAPJB-AWEZNQCLSA-N 285.387 3.543 30 20 CHED CC(C)(C)c1cc(NC(=O)c2cncs2)c(C#N)s1 271606314 MKQUNBOQGVSCAQ-UHFFFAOYSA-N 291.401 3.626 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](CCc1ccccc1)C(F)F 628766905 ZHBOPPDIXVDHCZ-AWEZNQCLSA-N 295.373 3.971 30 20 CHED COc1cccc(C[S@](=O)CCCCC(C)(C)C#N)c1 278182380 FWAOHLOGKZJIGH-HXUWFJFHSA-N 293.432 3.664 30 20 CHED N#Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)n1 450316139 QRSVQXJKZGFZRM-OAHLLOKOSA-N 298.777 3.955 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc(Cl)cc2Cl)no1 453181276 RLUSCYIQUWOBKQ-CPFSXVBKSA-N 294.141 3.845 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455013734 YGDPZAQFBISDBH-UONOGXRCSA-N 286.419 3.678 30 20 CHED CCC1(NC(=O)[C@@H](C)c2cccc(C#N)c2)CCCC1 452954848 MNZVRCJFKFHJMU-ZDUSSCGKSA-N 270.376 3.501 30 20 CHED CCCCN(C)c1c(C#N)cnc2c(C)cc(C)cc12 461448912 WDXQDJOUXLKTNJ-UHFFFAOYSA-N 267.376 3.960 30 20 CHED CN(c1ccc(F)cc1C#N)[C@@H]1CCc2ccccc2C1 462832225 HZANJOMLNLDTHF-QGZVFWFLSA-N 280.346 3.691 30 20 CHED N#Cc1ccc(NC(=O)N2C[C@H]3CCCC[C@H]32)cc1Cl 377724157 OPSKJKZNYPPTCC-BXUZGUMPSA-N 289.766 3.618 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCc3cc(F)ccc32)c1 467456559 UZXDJAIOVPESLB-GOSISDBHSA-N 280.346 3.517 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)OCC 270024557 JUTMGVPEMJSALB-IAGOWNOFSA-N 287.403 3.721 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 462191890 VBPCJDYZAQMYOP-MJBXVCDLSA-N 272.392 3.603 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(-c3nnco3)cc2)no1 289120694 QGHJHTCTIYYTSY-MRXNPFEDSA-N 296.330 3.640 30 20 CHED CC(C)(C#N)CC(=O)N1CC(C)(C)[C@H]1c1cccs1 288545484 YZDHTNMKXMVZSZ-CYBMUJFWSA-N 276.405 3.597 30 20 CHED C[C@H]1CCC[C@H]1N=c1c(C#N)c[nH]c2ccc(Cl)cc12 462822207 TYFUZSFNSLYAKZ-IINYFYTJSA-N 285.778 3.782 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H](c2cccc(F)c2)C1 557015154 FPMXVILQRHPPDO-CYBMUJFWSA-N 284.309 3.830 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(OC)c(OC)c1C 286262975 VDDUXVJXXCCZRA-WCQYABFASA-N 263.381 3.627 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1CCCc2ccccc21 466525569 GXUZSRKVMTWBTN-GDBMZVCRSA-N 257.377 3.577 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 281523001 XEWXLRUXZOTIGC-UBHSHLNASA-N 279.330 3.539 30 20 CHED C[C@H](N[C@H]1CCCC12CCOCC2)c1ccc(C#N)cc1 281954736 FTFAAUJBVCMRBS-YOEHRIQHSA-N 284.403 3.558 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 464571520 QFPTVVWINZRHKC-HUUCEWRRSA-N 263.425 3.901 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2ccc(Cl)cc2)CC1 466527676 KAKZEBMCWQMYMH-CQSZACIVSA-N 277.795 3.843 30 20 CHED CC(C)c1ccoc1C(=O)N(CCC#N)CC(C)(C)C 284057169 STIDDUJQSBPDAY-UHFFFAOYSA-N 276.380 3.805 30 20 CHED CC[C@@H](C#N)Nc1cccc(Cl)c1OCC(F)F 287199832 LRZXADPVIKKPBZ-QMMMGPOBSA-N 274.698 3.698 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 551310790 JFYGHHLUAQNWAB-AAVRWANBSA-N 274.795 3.868 30 20 CHED C=CCC[C@H](CC)NCc1cc(F)cnc1Cl 295058304 GIDGYDUPWBUSDT-LBPRGKRZSA-N 256.752 3.709 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@H](CC)c1ccncc1 292782381 MAZLNVGZQYCUTI-OAHLLOKOSA-N 289.423 3.776 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@@H](C(C)C)C2)CC1 474713102 WQNKNPRNLVUFKD-AEFFLSMTSA-N 278.484 3.831 30 20 CHED C#CCCc1noc(-c2sc(C)nc2-c2ccccc2)n1 809398052 OGKDEDHQVXFGFH-UHFFFAOYSA-N 295.367 3.734 30 20 CHED C#CCC1(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)CCCCC1 809338113 RCRJSAZJKWGGLQ-RHSMWYFYSA-N 297.398 3.599 30 20 CHED CC(=NN[C@@H]1CCSC1)c1cccc(-c2ccncc2)c1 808001083 YTWHJGQRKCSSKN-QGZVFWFLSA-N 297.427 3.568 30 20 CHED C=CCCCCCCNC(=O)N[C@@H]1CC[C@H](SC)C1 805160575 ZRSAWOCKJHHQMW-KGLIPLIRSA-N 284.469 3.706 30 20 CHED CCC[C@@H](CC)NC(=O)C[C@@H](CC#N)c1ccccc1 475320824 WXIHSLKJTWWASH-HZPDHXFCSA-N 272.392 3.769 30 20 CHED CSCc1cccc(Nc2snc(C)c2C#N)c1 568553245 LKBXCONDIZQXIV-UHFFFAOYSA-N 275.402 3.930 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1OC 475440562 WPDYODXVYNVXGW-KGLIPLIRSA-N 286.375 3.722 30 20 CHED Cc1c(Br)cccc1CN[C@@H]1CC[C@@H](C#N)C1 568239588 PJVLWIXKNCHZHN-DGCLKSJQSA-N 293.208 3.539 30 20 CHED C=CCCCCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C 805220479 SZJYGNYTNADAJX-UHFFFAOYSA-N 290.407 3.700 30 20 CHED C=CCCCCNC(=O)CCOc1cccc(C)c1C 471691498 GQJFKQRLFKXTCQ-UHFFFAOYSA-N 275.392 3.545 30 20 CHED C=C[C@@H](CC(=O)OCCCCF)c1ccccc1 803411165 KHGCMRLRYKAYET-ZDUSSCGKSA-N 250.313 3.639 30 20 CHED C#C[C@@H](NC(=O)Cc1ccc(SCC)cc1)C(C)(C)C 807881020 WLVBMILJWNGFAI-OAHLLOKOSA-N 289.444 3.505 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cn2)[C@@H]1c1cccs1 569118932 XULQEKZCJJCHMX-OAHLLOKOSA-N 283.400 3.598 30 20 CHED C#C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C 809781216 JKFIYEZTALQAOD-XJKSGUPXSA-N 288.391 3.553 30 20 CHED CSC1(C=NNc2ccccc2C(F)(F)F)CC1 800805569 SRWXARWWRRLOBP-UHFFFAOYSA-N 274.311 3.999 30 20 CHED CC[C@H](CC(=O)OCCCC1(C#N)CCOCC1)C(C)C 800162735 LBUVBRJQYWPNBR-OAHLLOKOSA-N 295.423 3.702 30 20 CHED CC[C@H](N[C@H](C)C[C@H]1CCCO1)c1ccc(C#N)cc1 565931668 DJHIZUDHFOKJQR-XYPHTWIQSA-N 272.392 3.557 30 20 CHED C=CCC[C@H](O)CN(C1CC1)[C@@H]1CCCc2ccccc21 472750928 LSCDCHIAZVBHPS-PKOBYXMFSA-N 285.431 3.856 30 20 CHED C=CCC(C)(C)c1noc(CCc2ccc(OC)cc2)n1 560029475 UZIFJRVAOMPMNM-UHFFFAOYSA-N 286.375 3.717 30 20 CHED C=CCSCCN[C@H]1CCCc2nc(Cl)ccc21 297060934 WADOLJSRRREMPH-LBPRGKRZSA-N 282.840 3.621 30 20 CHED C=CCCC1(C(=O)N(C)CCOc2ccccc2C)CC1 474433444 MVAYGDUERCUEQJ-UHFFFAOYSA-N 287.403 3.579 30 20 CHED CCCC[C@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 800273493 FIFCXLICIJGWCO-STQMWFEESA-N 259.349 3.989 30 20 CHED C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)c2ccccc2O1 294984941 GWXIOCUYONQFKL-IAQYHMDHSA-N 284.384 3.622 30 20 CHED CC(C)C[C@H](C)N1CCCN(c2ccccc2C#N)CC1 560701012 ZCBRFLQDEGMEAZ-INIZCTEOSA-N 285.435 3.505 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)cc(Cl)c1 488813469 IAMCSZDMRKKODS-AWEZNQCLSA-N 263.768 3.829 30 20 CHED N#Cc1ccnc(NCCc2c(Cl)cccc2Cl)c1 561154944 TWBOXJVBDPUBQR-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CCCCCCCCC(=O)NCC[C@]1(O)C[C@H]2CC[C@H]1C2 816721362 YAVZVOZTMYZVGQ-BQFCYCMXSA-N 295.467 3.794 30 20 CHED CCC[C@@]1(C)CCCN(c2ccc(C#N)c(C)n2)C1 488055997 JQEACLXWIWQUIC-INIZCTEOSA-N 257.381 3.668 30 20 CHED CCSCCOc1c(C#N)cnc2ccc(C)cc12 488267732 WZUPPKNSNYRDJS-UHFFFAOYSA-N 272.373 3.547 30 20 CHED N#Cc1ccccc1Oc1nc(C2CCCC2)ns1 567341845 JRFMPTXVTZZBKX-UHFFFAOYSA-N 271.345 3.860 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)c1ccc(C#N)o1 818923788 FJIHDBZWQUMIHP-ZDUSSCGKSA-N 276.380 3.972 30 20 CHED FC(F)Oc1ccc(C=NOC2CCC2)cc1Cl 812237014 FRZGLFGIHXFUDR-UHFFFAOYSA-N 275.682 3.844 30 20 CHED COc1ccc2oc(C=NOC/C=C/Cl)cc2c1 811671995 NJXPJIUAEHOGNY-QWAPHZDYSA-N 265.696 3.544 30 20 CHED CC(=NNc1cccc(Cl)c1)c1csc(C(=O)O)c1 814693379 MGYRNSFIZCETEK-UHFFFAOYSA-N 294.763 3.936 30 20 CHED C[C@@H]1CCC(=NNc2ccc(OC(F)F)cc2)C1 814828645 MSVGBDKQONITBO-SECBINFHSA-N 254.280 3.876 30 20 CHED CCc1cccc(NCc2cc(C#N)n(C)c2)c1CC 486882528 PIDISKXXJUUWTO-UHFFFAOYSA-N 267.376 3.634 30 20 CHED CCC[C@@H](C=NOCCOC(C)C)c1ccccc1 812239883 CWIISVBVOBMXNH-INIZCTEOSA-N 263.381 3.998 30 20 CHED C=CCC(F)(F)C(=O)NCC1(c2ccc(F)cc2)CCC1 815179990 YJSGSHIQQPHHEP-UHFFFAOYSA-N 297.320 3.575 30 20 CHED O=C(/C=C\c1cnn2ccccc12)c1nccc2ccccc12 811697318 CCVIGBXWSVANPG-HJWRWDBZSA-N 299.333 3.779 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N(C)CCCC(C)(C)C#N 485755725 VYCCAGAOIIAOKC-CABCVRRESA-N 280.456 3.842 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1cc(Cl)nc(Cl)c1)OC 819828712 NNLWEARZNRRJDH-PSASIEDQSA-N 290.194 3.847 30 20 CHED COc1ccccc1CN(OC)[C@H](C)c1ccc(C#N)cc1 810108006 FGCSFMQMJWGQAS-CQSZACIVSA-N 296.370 3.691 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)Cc3occc3C)c2c1 488717267 SYZKQHXYKRGPMQ-UHFFFAOYSA-N 291.354 3.953 30 20 CHED C=CCCCCCCCNC(=O)[C@]1(C)CC1(F)F 817452368 SOQWZWIQTCCLKH-ZDUSSCGKSA-N 259.340 3.675 30 20 CHED C=CCn1c(S[C@@H](C)CCC)nc2ccccc2c1=O 481245904 LBVZILNOKWDOQJ-LBPRGKRZSA-N 288.416 3.863 30 20 CHED COc1cc(C)nc(NN=C2CCC3(CCCC3)CC2)n1 811643171 WHWQMOXAQBESOI-UHFFFAOYSA-N 288.395 3.696 30 20 CHED C(=NNC1CCCC1)c1ccc(N2CCCCC2)s1 727652688 UWONRLGUQSEAPC-UHFFFAOYSA-N 277.437 3.605 30 20 CHED C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)[C@H](C)[C@H]1C 573942788 ZBTQKJPWHNIKMC-FRRDWIJNSA-N 265.360 3.587 30 20 CHED CCOC(=O)[C@H](CC)S[C@@H](C#N)Cc1ccc(C)cc1 570041700 FHXGWQDSRBMERB-CABCVRRESA-N 291.416 3.505 30 20 CHED C=C(C)CN(C)Cc1cccc(OCC)c1OCCC 497232498 UMAMEOOEOXYWDN-UHFFFAOYSA-N 277.408 3.882 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1 728438798 OUVZQABHIYDKDJ-WEVVVXLNSA-N 286.302 3.826 30 20 CHED Cc1ccsc1C(=O)N[C@](C)(C#N)C1CCCCC1 573833271 QNZNXIDLQPJQRH-OAHLLOKOSA-N 276.405 3.649 30 20 CHED C=CCCCCCOc1ccc(-c2ncnn2C)cc1 572419977 BGEMWPYNPWGYHW-UHFFFAOYSA-N 271.364 3.607 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(CC#N)cc1 495496042 BFRSKSXZHXILTL-ZDUSSCGKSA-N 296.345 3.709 30 20 CHED C=CCn1c(C(C)C)nnc1N1C[C@@H](C)c2ccccc21 578803892 BGJWMOANHYWHRC-CYBMUJFWSA-N 282.391 3.843 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1nc(C(C)C)cs1 664454499 KSZZDGCNRINZCZ-UHFFFAOYSA-N 295.452 3.811 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](CC)Cc2ccccc2)c1 727934113 APKSQEBAXSGXEE-QGZVFWFLSA-N 292.382 3.811 30 20 CHED Cc1sc(NC(=O)/C=C\c2ccsc2)c(C#N)c1C 490700508 GLNBJIGYAUXYLY-ARJAWSKDSA-N 288.397 3.950 30 20 CHED CCC(CC)[C@H](C)C(=O)N(O)Cc1ccc(F)cc1 901373354 XBAMIPVGQUAAGE-NSHDSACASA-N 267.344 3.616 30 20 CHED C=C(C)CN(CC)Cc1ccc(OCC)c(F)c1 495079036 MLLLWZIKWSHMBF-UHFFFAOYSA-N 251.345 3.622 30 20 CHED CCCCCCCC(=O)N[C@H](Cn1ccnc1)C(C)(C)C 727494725 SVOGLPCCJDFGKT-OAHLLOKOSA-N 293.455 3.775 30 20 CHED C=C(Br)COC(=O)C(C)(C)c1ccc(C)cc1 728668947 RDPBUYRZUGOZLL-UHFFFAOYSA-N 297.192 3.724 30 20 CHED C#CCN(C(=O)c1ccccc1CCC(F)(F)F)C(C)C 906249214 MXHXQSXDIWHKOO-UHFFFAOYSA-N 297.320 3.665 30 20 CHED C=CCCCOC(=O)COc1cccc(Cl)c1C 736905887 JFTOBJGSRWAHQQ-UHFFFAOYSA-N 268.740 3.537 30 20 CHED C=C[C@H](CC)Cc1nc(-c2cc(OC)ccc2OC)no1 903968265 SIDFWFRRACOEMW-LLVKDONJSA-N 288.347 3.509 30 20 CHED CC[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(C#N)c1 902895459 ZKWQACFGSCEKHT-FJIDUMEYSA-N 296.414 3.557 30 20 CHED Cc1ccc2[nH]cc(C=NNc3nc4ccccc4[nH]3)c2c1 735610142 KKYBLGDYNHZTHK-UHFFFAOYSA-N 289.342 3.799 30 20 CHED COc1ccc2c(c1)[C@@H](NCC1(C#N)CC1)CCCS2 903106880 XUBZESIIPFPYED-AWEZNQCLSA-N 288.416 3.516 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1cccc(F)c1 490068974 VTPRUDVCBPJXNW-ZDUSSCGKSA-N 277.383 3.723 30 20 CHED C=CCCCCOc1ccccc1NC(=O)C1CC1 584043125 DTWAQKOIUYVBPR-UHFFFAOYSA-N 259.349 3.770 30 20 CHED Cc1nc(C)c(C=NNc2nccc3sccc23)s1 736429748 FJHHMBUVKDXRML-UHFFFAOYSA-N 288.401 3.816 30 20 CHED C=CCC1(C(=O)OCC2(C#N)CCC2)CCCCC1 838152497 OOOHSKDFOLITJT-UHFFFAOYSA-N 261.365 3.750 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)Nc1scc(C)c1C#N 584061546 ODRCFWRNHCMWGN-WDEREUQCSA-N 277.393 3.723 30 20 CHED N#Cc1c(Cl)cccc1SCc1ccoc1C(=O)O 833761345 WGGZXKOQZJKDQS-UHFFFAOYSA-N 293.731 3.795 30 20 CHED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(C#N)c1 589340437 DSPZOLXBAFDMAP-YJYMSZOUSA-N 287.366 3.768 30 20 CHED C=CC[C@@H](NC(=O)C[C@@H](CC)C(C)C)c1ccncc1 734457471 JZZDRHWPJUBCPW-GDBMZVCRSA-N 274.408 3.887 30 20 CHED CC[C@@H]1CCCC1=NNc1cccc(C(=O)OC)c1F 835019411 WDAXCNGFKJXURG-SNVBAGLBSA-N 278.327 3.590 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCCc2ccsc2)C1 839056106 ZJHYITTZNVZQSX-UONOGXRCSA-N 277.389 3.696 30 20 CHED C[C@@H](c1cccc2ccccc12)N1CC(C)(C#N)C1 582673895 HEAOHOXJGSVGNC-ZDUSSCGKSA-N 250.345 3.746 30 20 CHED C[C@@]1(CC(=O)OCC#Cc2ccccc2)CC1(Cl)Cl 835092651 XHVGVQLBYXDJSO-CQSZACIVSA-N 297.181 3.555 30 20 CHED C#Cc1ccc([C@@H](OC(=O)CCCC#N)C(F)(F)F)cc1 836083777 VVJBMWNSFLFWQL-CQSZACIVSA-N 295.260 3.508 30 20 CHED C=CC(C)(C)c1nc(-c2cccc(Br)c2)no1 904294235 HVSIMKGJKLDRTA-UHFFFAOYSA-N 293.164 3.963 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NC1CCC1 730584495 ZYBKQPFXZSVZFE-CYBMUJFWSA-N 254.418 3.835 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(-c2cccc(F)c2)on1 835369451 JDJHLMGKYRCPOL-UHFFFAOYSA-N 289.306 3.736 30 20 CHED CC(C)(C)C#CC(=O)N[C@@](C)(Cc1ccccc1)C1CC1 837693747 WANQXKULMMDIIB-IBGZPJMESA-N 283.415 3.564 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)/C=C\c1ccccc1C#N 733114725 QGLMNYZMVADTIY-AMERNYOASA-N 282.387 3.512 30 20 CHED C#Cc1cccc(CN[C@H](C)c2cnn(C(C)(C)C)c2C)c1 834904506 ZBRIAIOZELONMZ-CQSZACIVSA-N 295.430 3.779 30 20 CHED CCOc1ccc(Sc2nnc(C)c(C)c2C#N)cc1 913036994 PNDFRVKYEBZMKX-UHFFFAOYSA-N 285.372 3.515 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1 916240543 GPWSSSLOWPJGAU-UHFFFAOYSA-N 288.734 3.874 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(C(F)F)cc1F 594257234 AITKAQNUKSVXQI-UHFFFAOYSA-N 284.281 3.528 30 20 CHED CCC(C=NNc1ccc(C(F)(F)F)cn1)CC 915917869 RVFGGOFFMVTJME-UHFFFAOYSA-N 259.275 3.934 30 20 CHED CCCCCCCCOC(=O)Cc1ccc(C)nc1 919488650 OYEIHUROAPUGRO-UHFFFAOYSA-N 263.381 3.836 30 20 CHED Cc1ccoc1C=NNc1ncc(Cl)cc1Cl 743427533 WYVPTPTWWPTZEI-UHFFFAOYSA-N 270.119 3.736 30 20 CHED O=C(NO)c1sc2cc(C(F)(F)F)ccc2c1Cl 914715948 OMMKLASZGQYSEV-UHFFFAOYSA-N 295.669 3.693 30 20 CHED C=C(CC)CN1CCC(CN2CCCCCC2)CC1 678622998 HZFLAXCDIMNDNV-UHFFFAOYSA-N 264.457 3.541 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(CC(=O)O)cc1 915991153 WRTHDHRDYPWFKS-SREVYHEPSA-N 286.352 3.580 30 20 CHED CCCCCCCC(=O)N(C)CC[C@H]1CCCCN1C 742137977 PQWVYAMYIRHEPH-MRXNPFEDSA-N 282.472 3.680 30 20 CHED CSc1c(F)cccc1N[C@@H]1CC[C@@H](C#N)C1 597175870 QXAKSTMHJKBLBI-NXEZZACHSA-N 250.342 3.652 30 20 CHED CCC1(CC)CCCN(C(=O)CCCCCC#N)C1 598217779 BLSYSKPNIOCKSW-UHFFFAOYSA-N 264.413 3.889 30 20 CHED Fc1ccc(F)c(CNN=Cc2cc3ccccc3o2)c1 915978880 GIZPCPMAMVZBJH-UHFFFAOYSA-N 286.281 3.835 30 20 CHED CC(CCCCC#N)=NNc1oc(C(C)(C)C)nc1C#N 841622532 WOBRJIXQNRSMJV-UHFFFAOYSA-N 287.367 3.716 30 20 CHED CC[C@H](C)N(CC)C(=O)N[C@@H](CCC#N)c1ccccc1 596503131 IICFQSUSBYDOCC-HOCLYGCPSA-N 287.407 3.861 30 20 CHED C[C@@H](OC(=O)c1c(F)cccc1F)c1ccc(C#N)cc1 748677092 IPOJIDKEGXTYDW-SNVBAGLBSA-N 287.265 3.754 30 20 CHED C=CCOCCCC(=O)Oc1c(C)cccc1Cl 744369369 UKJXFJVXPODQNS-UHFFFAOYSA-N 268.740 3.537 30 20 CHED CC[C@@H](C)Oc1cccc(NC[C@H](O)CC(C)(C)C#N)c1 598726242 QOCBSFQTGGSORL-UKRRQHHQSA-N 290.407 3.577 30 20 CHED CCCCCCCC[S@@](=O)Cc1cc2n(n1)CCCC2 844653411 FZTIXYQCKMBUBO-HXUWFJFHSA-N 296.480 3.829 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CCC3(CC2)CC3)C1 597257882 JFWIVCJCMGPARB-CXAGYDPISA-N 274.408 3.545 30 20 CHED CCCCCCCn1cc(-c2ccccn2)ccc1=O 844769638 NGIOJZGPGXECEM-UHFFFAOYSA-N 270.376 3.881 30 20 CHED C=CCN(C(=O)c1csc2c1CCCC2)C(C)C 915147747 IGNFYHMNMYWLOT-UHFFFAOYSA-N 263.406 3.664 30 20 CHED O=[N+]([O-])c1ccc(C(F)(F)F)c(CON=C2CCC2)c1 842031435 YVXSRSUSCPMACK-UHFFFAOYSA-N 288.225 3.670 30 20 CHED CSCC1CCC(Nc2nc(C#N)ccc2C)CC1 596248857 LUZLDIPBLITATQ-UHFFFAOYSA-N 275.421 3.595 30 20 CHED C/C(=C\C(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 743775460 MUFPMGJCUOXMMX-GOFCXVBSSA-N 290.366 3.839 30 20 CHED CCCCCCCC(=O)NC[C@H](C)N1CCC(C)CC1 742402213 VOCFSPWOTMGDRQ-INIZCTEOSA-N 282.472 3.584 30 20 CHED N#CCN(Cc1cc2cc(Cl)cnc2o1)C1CCCC1 590639548 QYJCKXWNIGQNRP-UHFFFAOYSA-N 289.766 3.749 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1cc(C#N)cnn1 596117899 KQEGWBNHSIKNPI-IRXDYDNUSA-N 292.386 3.511 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 593457909 NWSHGVPJGAUADL-VXGBXAGGSA-N 299.399 3.537 30 20 CHED N#CC1(CCN2CC[C@H](c3cccnc3)C2)CCCCC1 592139259 RCAUGSGCFKYRBX-KRWDZBQOSA-N 283.419 3.735 30 20 CHED C=CCN(CC=C)Cc1cc(OC)cc(C(C)(C)C)c1O 915791037 FTVZGLDAGCMRBQ-UHFFFAOYSA-N 289.419 3.872 30 20 CHED N#CCc1c[nH]c2cc(-c3cccc(C(=O)O)c3)ccc12 592968354 LRFPLENZCQRFQK-UHFFFAOYSA-N 276.295 3.599 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCCCc1ccco1 596533754 PKSNABHHTFLYDZ-UHFFFAOYSA-N 295.264 3.610 30 20 CHED CN(Cc1cccc(Cl)c1Cl)C(=O)C(C)(C)C#N 42091708 AQQCYTMIBOUWBB-UHFFFAOYSA-N 285.174 3.502 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cccc2sccc12 847117099 DCRPXKYHFUGNMN-CQSZACIVSA-N 259.330 3.747 30 20 CHED CCc1occc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 598884199 ZKYMBPDPRZTIIS-UHFFFAOYSA-N 294.354 3.913 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc2ccnc(Cl)c2c1 841464881 WTPBIKURIPOJPY-UHFFFAOYSA-N 286.762 3.876 30 20 CHED C=C(C)CS(=O)(=O)NC(C)(C)c1ccc(C(C)C)cc1 684761278 OTWMERFJPWSFTE-UHFFFAOYSA-N 295.448 3.541 30 20 CHED Cc1cccc2ncc(/C=C\C(=O)c3cccc(F)c3)n12 748994315 MGKQZQDYQUNXCJ-HJWRWDBZSA-N 280.302 3.678 30 20 CHED C=CCCC(C)(C)NCc1ccc(OC)c(OC)c1C 850416743 AGIKPAKPVYYKHR-UHFFFAOYSA-N 277.408 3.847 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)CCc2sccc21 755592340 ZPKKDTCGIRWLEP-YFHOEESVSA-N 274.316 3.805 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(Cl)cs2)C1 758887695 UDQHINZECIAYQW-RNCFNFMXSA-N 282.796 3.604 30 20 CHED C#CCOc1ccc(CN[C@@H](C)CCCC(F)(F)F)cc1 755223422 MNOBINQITCRPAZ-ZDUSSCGKSA-N 299.336 3.909 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(C2CC2)cc1 850036277 OYXMXJBYWBJZNI-UHFFFAOYSA-N 257.333 3.661 30 20 CHED COc1cccc(C(=O)/C=C\c2cc(F)cc(F)c2)c1 755570073 CHCXYIYCKRDPPR-WAYWQWQTSA-N 274.266 3.870 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccc(F)cc1F)C(C)C 753047912 YRWOZPDYGCYXJI-NSHDSACASA-N 282.334 3.632 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)cs1 759025313 FDCVCXXTWSMZLF-SECBINFHSA-N 257.786 3.876 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@]2(C)CC2(Cl)Cl)C1 855437172 SQELWKGVFIMVJO-DGCLKSJQSA-N 290.234 3.775 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1ccc2cnccc2n1 851144457 RUYBYIKZBAWLJH-SUMWQHHRSA-N 296.370 3.922 30 20 CHED C/C(=C\c1ccco1)C(=O)O[C@H](C)CC(C)(C)C#N 851205990 NLESTLSERTUTHI-JATZPVMKSA-N 261.321 3.554 30 20 CHED C#CC[C@@H](NC(=O)/C=C\c1cccs1)c1ccccc1 757576824 FEIUJDXMDUAZSD-YUQCYMQKSA-N 281.380 3.642 30 20 CHED C#C[C@@H](CC)NC(=O)CCCc1cccc(C(F)(F)F)c1 754372529 ACRGMPZQQHWYIR-AWEZNQCLSA-N 297.320 3.556 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1ccccc1F 750396064 WRXAOUSDLFZGDE-SECBINFHSA-N 275.304 3.677 30 20 CHED C=C[C@@H](C)NC(=S)Nc1c(CC)cccc1CC 756795028 FZJVGEXBGRIUMX-LLVKDONJSA-N 262.422 3.672 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)co1 752886179 IDALUMCNGZRJQO-YVMONPNESA-N 286.287 3.602 30 20 CHED C#CCCN1CCC[C@@H]1c1ccccc1Br 760845721 ZGEBFFFMTMQRFT-CQSZACIVSA-N 278.193 3.609 30 20 CHED COCc1cc(NCc2ccc(C#N)c(C)c2)ccc1OC 865751652 UPXRJKYYFJPWTI-UHFFFAOYSA-N 296.370 3.634 30 20 CHED CC(=NNc1nccc2sccc12)c1cscn1 767900807 XZQXHDSRQFNTEA-UHFFFAOYSA-N 274.374 3.589 30 20 CHED CCN(C(=O)[C@@H](F)c1ccccc1)c1ccc(C#N)cc1 769477986 YBNCRPMHNZJWLB-INIZCTEOSA-N 282.318 3.622 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)/C=C/c1ccccc1C#N 768934812 RNPMWWYZTUAUEA-KSEUIEODSA-N 296.414 3.999 30 20 CHED C#CCN(C(=O)N[C@H](CC)c1cccc(Cl)c1)C1CC1 764676701 CYWQALPLDPWNQZ-OAHLLOKOSA-N 290.794 3.598 30 20 CHED Cc1cc(/C=C/C(=O)c2ccccc2O)cnc1Cl 760263471 HZQRBAFWUOPREA-VOTSOKGWSA-N 273.719 3.645 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(OCC)c1O 768552742 YSNPVLUQRAKHHQ-UHFFFAOYSA-N 297.398 3.979 30 20 CHED CC(=NOCC(F)F)c1cc(Cl)c(Cl)cc1O 766029347 KTTFERNNPYSTDD-UHFFFAOYSA-N 284.089 3.705 30 20 CHED COc1cc2c(cc1/C=C\C(=O)c1occc1C)O[C@H](C)C2 769784514 XUYWTLBMEMUHOR-QMAVJUDZSA-N 298.338 3.816 30 20 CHED C#CC1CCN(C(=O)c2cc(-c3ccccc3)oc2C)CC1 862099499 FUPJETRKMAZLEH-UHFFFAOYSA-N 293.366 3.740 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@H](C)C(C)(C)C2)cc1 761224730 AEEAZEZPTSBPTP-GJZGRUSLSA-N 286.419 3.845 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)Cc2ccco2)cc1 764774068 LJZBIZCSXHLJKJ-LSDHHAIUSA-N 283.371 3.573 30 20 CHED Cc1cc(/C=C/C(=O)c2csc(C(=O)O)c2)ccc1C#N 766491526 POMWZLCLUKLONW-HWKANZROSA-N 297.335 3.523 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(SC(F)F)cc1 1116642750 AEFNZBPPIVSZQC-CMPLNLGQSA-N 287.375 3.853 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C)cc(CN(C)C)c1 879311193 OBRTYHMFFLYDDP-UHFFFAOYSA-N 274.408 3.597 30 20 CHED C#CCCCCC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 773425327 QOINBFOOIWAKDZ-LBPRGKRZSA-N 291.341 3.604 30 20 CHED Cc1ccc([C@H](C)OC(=O)C2(C#N)CCCC2)cc1 770656296 QLBGUODAMVHURF-ZDUSSCGKSA-N 257.333 3.683 30 20 CHED CC1(C)C(=NOC2CCOCC2)C[C@H]1c1ccccc1 774436309 ZHIMBMBFXVGWFE-HNNXBMFYSA-N 273.376 3.752 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2CC[C@@H](C)C2)c(OC)c1 776289901 BZFOTXLBUIRHLH-TZMCWYRMSA-N 274.360 3.765 30 20 CHED CCCCCCCN1CCN(CC(F)(F)F)CC1(C)C 775563756 IDSCWRVKCCDUOU-UHFFFAOYSA-N 294.405 3.915 30 20 CHED C=CCC[C@H](C(=O)OCC1CCOCC1)c1ccccc1 778552133 KPNKEGKEHSVXQC-KRWDZBQOSA-N 288.387 3.706 30 20 CHED C[C@@H](OC(=O)Cc1ccccc1CC#N)c1ccc(F)cc1 777167550 ORNNUGUPARRQAR-CYBMUJFWSA-N 297.329 3.739 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)c(Cl)[nH]1 775926419 WBPSGFOTKYWMTG-QMMMGPOBSA-N 275.179 3.796 30 20 CHED CC(=NOC1CCCCC1)c1cc(F)cc(F)c1O 777460643 ZSPZAVSLSBAZCS-UHFFFAOYSA-N 269.291 3.744 30 20 CHED Cc1cccc(Cl)c1COC(=O)c1cccc(C#N)c1 1129249633 VYRKSXIJQDMAOX-UHFFFAOYSA-N 285.730 3.877 30 20 CHED Cc1ccc(CN(C)C(=O)[C@@H](CC#N)c2ccccc2)s1 1125774571 KTPKUXJHFRUFDX-INIZCTEOSA-N 298.411 3.712 30 20 CHED CC(C)=CC(=O)Nc1cccc(C#Cc2ccccc2)c1 880518000 VRCUWQSNRCWNSZ-UHFFFAOYSA-N 275.351 3.991 30 20 CHED C#CCCOC(=O)CC1(CSc2ccccc2)CC1 770613034 SQBIKVNTCQTBGH-UHFFFAOYSA-N 274.385 3.516 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1C)c1ccccc1 1129790088 LSXPWSHYEDYSHZ-QGZVFWFLSA-N 278.355 3.748 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C#N)C1CCCCC1 780237527 FARWSNOHTFPPDG-SCRDCRAPSA-N 251.370 3.684 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)O)cs1)CC2 782207322 NHZPBIJYUMMGBQ-KPKJPENVSA-N 298.363 3.967 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(CF)cc1 1127458589 NWNPAKBWLODBAS-LBPRGKRZSA-N 298.317 3.699 30 20 CHED C#CCC1(C(=O)N2CCCCCCC2)CCCCC1 788151680 PPDNOMHLCXNTNS-UHFFFAOYSA-N 261.409 3.753 30 20 CHED CC(=NNc1ncncc1Cl)c1ccc(Cl)cc1 780282267 ANMLRVPBADQWBC-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CC[C@@](F)(C#N)C1 786113717 FSLRMWFDQSDDGP-GDBMZVCRSA-N 297.418 3.630 30 20 CHED C#CCC1(C(=O)Nc2ccc3c(c2)N(C)CC3)CCCCC1 788459964 CZPFTJREQYEJRB-UHFFFAOYSA-N 296.414 3.591 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](CC(F)(F)F)C(C)C)c1 782697155 XMVMIMBMFOEHAA-ZDUSSCGKSA-N 298.308 3.766 30 20 CHED CC(=NNC1CCCCC1)c1cnn(Cc2ccccc2)c1 786042956 DLUPCGDCORJRAY-UHFFFAOYSA-N 296.418 3.578 30 20 CHED CC(=O)c1ccccc1NCc1cc(C#N)ccc1F 83497103 CSHSBSKTRXKIRH-UHFFFAOYSA-N 268.291 3.512 30 20 CHED COC1CCC(=NNc2nc(C(F)(F)F)cs2)CC1 783855706 PVBVBOCXICGQSA-UHFFFAOYSA-N 293.314 3.519 30 20 CHED N#CC1(C(=O)OCCSc2ccccc2)CCCCC1 783174235 FZZWANYDLSEBQV-UHFFFAOYSA-N 289.400 3.796 30 20 CHED C=C1CC(c2noc([C@H](C)Oc3ccc(C#N)cc3)n2)C1 896889082 CCXADENXQIIYPP-NSHDSACASA-N 281.315 3.515 30 20 CHED CC1(CC(=O)Nc2cc(C#N)ccc2F)CCCC1 891453319 DUANDCNZEYAQMN-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CC(/C=C\C(=O)c1ccncc1)=C/c1cccc([N+](=O)[O-])c1 787168921 ZRFVEHDGKCSZEL-VNWVSWPHSA-N 294.310 3.832 30 20 CHED CC(C)CN(CCC#N)Cc1c[nH]nc1-c1ccsc1 783506804 POHGJGQEPDYDCC-UHFFFAOYSA-N 288.420 3.510 30 20 CHED N#Cc1ccc(CNCc2ccsc2Cl)cc1F 404040651 HMGABYNINCUCBB-UHFFFAOYSA-N 280.755 3.702 30 20 CHED CCN(C(=O)c1ccc(-c2ccccc2)cc1)[C@H](C)C#N 1131632804 MRONRRBUUKUHJK-CQSZACIVSA-N 278.355 3.728 30 20 CHED COc1ccc2ccccc2c1C=NOCCOC(C)C 782309170 WBTXXNRMYXXTKT-UHFFFAOYSA-N 287.359 3.624 30 20 CHED C[C@H](CCC(=O)N(CC#N)c1ccccn1)c1ccccc1 892472015 XQHRDWDGYLBNIW-OAHLLOKOSA-N 293.370 3.522 30 20 CHED N#CC[C@H](CC(=O)NCC=C(Cl)Cl)c1ccccc1 898307192 KUSGDEQURLNLIG-GFCCVEGCSA-N 297.185 3.509 30 20 CHED C=C1CCC(C(=O)NCc2cccc3ncccc23)CC1 893226165 XHRRONVSHXBZOJ-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C=CCC1(c2nc(CCOCc3ccccc3)no2)CCC1 896525085 UUZQCDWGHWPPQJ-UHFFFAOYSA-N 298.386 3.827 30 20 CHED C[C@@H](C#N)CNCc1cccc(Oc2ccc(F)cc2)c1 1204012763 XSILKCVFVVERFC-ZDUSSCGKSA-N 284.334 3.867 30 20 CHED C(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2occc2c1 794923068 WGLADYRJLGTLAI-CORIIIEPSA-N 254.333 3.545 30 20 CHED CC(C)N(Cc1ccco1)Cc1cc(F)ccc1C#N 268329678 WVOPNZDMACOQGP-UHFFFAOYSA-N 272.323 3.701 30 20 CHED Cc1c(Br)cncc1NC[C@H](C)CCC#N 897833767 XQKXBSQCJGXYIL-SECBINFHSA-N 282.185 3.504 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H]1c1cc(C)ccc1C)C(C)C 798556965 MLLDREWRBKDLCV-ROUUACIJSA-N 298.430 3.808 30 20 CHED CC(=NNc1ncncc1F)c1ccc(C(C)C)cc1 793226053 NTKQAAFGWXHWGD-UHFFFAOYSA-N 272.327 3.575 30 20 CHED Cc1cc(C)c(C=NNc2cccc(F)n2)cc1C 795008059 UDRSNTWOMMUDLJ-UHFFFAOYSA-N 257.312 3.592 30 20 CHED C=CCOc1ccc(CNCc2ccc(Cl)o2)cc1 574931119 CHKRCYGPRSOCFN-UHFFFAOYSA-N 277.751 3.788 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCCC(C)(C)C2)cc1C#N 799372395 SGCPNELCLGHSMV-HNNXBMFYSA-N 270.376 3.565 30 20 CHED Cc1cccnc1NN=CC[C@@H](C)c1ccccc1 790194149 XIMCOVINVJCXIT-CYBMUJFWSA-N 253.349 3.982 30 20 CHED COc1ccc(Cl)c(CNc2ccc(C#N)cc2)c1 190313238 URDQJVMRTUGBSB-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CC1=C(Br)CN(CCCC(C)(C)C#N)CC1 797527661 RPWVUJCSXINNRC-UHFFFAOYSA-N 285.229 3.691 30 20 CHED COc1cccc(C=NNc2ccc(F)cc2F)c1F 799865429 ZCDMIGMBEDAGNB-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1OCC(C)C 798555078 YNODGTHWAHJUEL-AWEZNQCLSA-N 275.392 3.806 30 20 CHED C[C@@]1(C=NNCc2cnc3ccccc3c2)CCCS1 793027231 UXPASSPDHQJLLJ-INIZCTEOSA-N 285.416 3.596 30 20 CHED COc1ccccc1CON=Cc1ccsc1Cl 799117929 OVKOYTZKYYWTHL-UHFFFAOYSA-N 281.764 3.961 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(O[C@H](C)CC)c1 767067208 NENINIQKGHHQPK-CYBMUJFWSA-N 273.376 3.852 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(OC(C)C)cc1 90450944 YIFMODPPXOKXDK-HNNXBMFYSA-N 277.408 3.717 30 20 CHED CSc1ccccc1C(=O)N[C@H](C#N)C1CCCCC1 92213018 YWLUEKXYNAMBSI-CQSZACIVSA-N 288.416 3.611 30 20 CHED C[C@@H](NCc1cc(O)ccc1Cl)c1ccc(C#N)cc1 1307763995 YKUZCZFSTLOBQL-LLVKDONJSA-N 286.762 3.768 30 20 CHED CCC1(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)CCCC1 1164587214 LUDQTRDRJWLLBH-UHFFFAOYSA-N 296.374 3.652 30 20 CHED N#Cc1cc(S[C@H]2CCc3ccccc3C2)ccn1 1163700137 DLJYFHIABGUKNH-HNNXBMFYSA-N 266.369 3.603 30 20 CHED CC1(C#N)CN(Cc2cccc(SC(F)(F)F)c2)C1 1232944958 DGHJZMVDESBEGL-UHFFFAOYSA-N 286.322 3.644 30 20 CHED CC(C)[C@H]1CCC[C@@H]1Nc1ccc(OCC#N)cc1 1319864413 RICPLRNECDZWJR-CVEARBPZSA-N 258.365 3.826 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 1323039063 JQUQOQHRTQGAAM-CYBMUJFWSA-N 299.201 3.939 30 20 CHED CC1(c2nnc(COc3ccccc3C#N)o2)CCCCC1 1327013813 TWKYUMCEFMRUFV-UHFFFAOYSA-N 297.358 3.742 30 20 CHED COc1ccc(Cl)c(COc2ccc(C#N)c(F)c2)c1 1643710101 RZXCYNQSIYMTLC-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)[C@H]2CCC[C@H](C)C2)n1 1186713232 KEYWVJOCJOCNOP-AVGNSLFASA-N 272.396 3.537 30 20 CHED Cc1ccc(CCC(=O)OCCc2ccc(C#N)cc2)s1 1327491695 ROSRHZAJOAZLRI-UHFFFAOYSA-N 299.395 3.647 30 20 CHED Cn1ccc(NN=Cc2ccccc2-c2ccccc2)n1 1320687367 QLUOTNJILNFLBJ-UHFFFAOYSA-N 276.343 3.533 30 20 CHED C[C@@H](C(=O)N(c1ccccc1C#N)C1CCC1)C(C)(F)F 1338042393 LGRGRKZLBNAXSW-NSHDSACASA-N 292.329 3.735 30 20 CHED C=C(C)CCC(=O)NCC(C)(C)c1cccc(F)c1 1336966193 WAXIBLCVTMYJRA-UHFFFAOYSA-N 263.356 3.576 30 20 CHED N#CCc1ccc(C(=O)NC2(C3CCCCC3)CC2)cc1 1342707950 NAGLMWZVLGXMDA-UHFFFAOYSA-N 282.387 3.595 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc(C)n1 1348668846 GIJDLVWOAUETBV-ZDUSSCGKSA-N 297.383 3.522 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 1357650447 DPEUXPWSAVANBM-UKKRHICBSA-N 295.791 3.740 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCCOC(C)(C)C 1353904963 NHYPERBLSZRBMT-AWEZNQCLSA-N 267.413 3.539 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccccc1SC 1358187725 XZZFLCNGNPHCTL-UHFFFAOYSA-N 263.406 3.723 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccsc1C#N 1435163785 ZDNVWOUTQXMVDV-VXGBXAGGSA-N 276.405 3.566 30 20 CHED CN(C(=O)[C@@H](CC#N)c1ccccc1)C1CCCCCC1 1352193046 VOZOSAYSSYCEBO-KRWDZBQOSA-N 284.403 3.865 30 20 CHED CC(C)(C)C1CCC(OC(=O)c2ccc(C#N)o2)CC1 1351926164 SFDWIGMFFJYKRX-UHFFFAOYSA-N 275.348 3.913 30 20 CHED CCC[C@H](CC)C(=O)O[C@H](C)c1cccc(C#N)c1 1518213994 VZAXIPBGHVOUOP-OCCSQVGLSA-N 259.349 3.989 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1518678152 MPZLEVSQZAZGON-FUHWJXTLSA-N 298.430 3.969 30 20 CHED CC(C)(CC(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1524703938 HYDLNMCGABPHTR-AWEZNQCLSA-N 296.345 3.765 30 20 CHED N#Cc1c(F)cccc1NCCCCC1(C(=O)O)CCC1 1601082894 UJJGDYXDPXLPJB-UHFFFAOYSA-N 290.338 3.534 30 20 CHED CC1(CC(=O)O[C@H]2CCC[C@@H](C#N)C2)CCCCC1 1460797630 NQJBKDWJNHRPAY-KGLIPLIRSA-N 263.381 3.972 30 20 CHED Cc1oc(C=NNc2cccc3c2CCCC3)cc1C(=O)O 1608043509 WDBJMMLVPAHHCU-UHFFFAOYSA-N 298.342 3.611 30 20 CHED CCCC[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)O 1605249338 FQAFSBUCGHJDLO-GFCCVEGCSA-N 283.780 3.947 30 20 CHED C[C@@H]1C/C(=C\c2ccc(C(=O)O)[nH]2)C(=O)c2sccc21 1609841207 NJPPBYDMLOIAOS-KGOFQHAKSA-N 287.340 3.548 30 20 CHED Cc1cc(N2CC[C@@H](CC(C)(C)C)C2)ncc1C#N 1472809348 GBYXDVBKHGHNTF-ZDUSSCGKSA-N 257.381 3.524 30 20 CHED N#Cc1cnn(Cc2ccc(Oc3ccccc3)c(F)c2)c1 1473020574 SBXVWNKTHJGWBA-UHFFFAOYSA-N 293.301 3.734 30 20 CHED Cc1nc(N(C)[C@H](C)CSc2ccccc2)ccc1C#N 1612577035 XTVIYGCXVREFME-CYBMUJFWSA-N 297.427 3.879 30 20 CHED Cc1ccc(CN(CC(C)C)c2cc(C#N)cnn2)c(C)c1 1612522819 IOZCZZYQGYRJPZ-UHFFFAOYSA-N 294.402 3.628 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1C)C1CCCC1 1623179281 CSPNXRYOOVIIEP-OAHLLOKOSA-N 285.391 3.957 30 20 CHED C[C@@H]1CCCC[C@@H]1CNc1nc(C#N)c(Cl)s1 1642179670 XVMQZOZHNGVXJU-RKDXNWHRSA-N 269.801 3.906 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H](C)C1CCCCC1 1645486709 HBICCBBVHZVPEX-AWEZNQCLSA-N 286.419 3.967 30 20 CHED Cc1cc(SCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)ccc1C#N 1656667089 OUKDJNAITYRRQZ-XEZPLFJOSA-N 285.412 3.964 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1659392578 CPIPPGSSAWMRDB-RBGFHDKUSA-N 282.387 3.803 30 20 CHED C=CC[C@@H](N[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)O 1588744596 AEVWQTPYBCZZAN-KGLIPLIRSA-N 281.783 3.656 30 20 CHED C[C@H]1CCC[C@@H]1CNC1CC(C#N)(c2ccccc2)C1 230662564 OJOBSRZWAFWGOA-WPAPPDIDSA-N 268.404 3.636 30 20 CHED CC[C@@H](C(=O)Nc1cc(C#N)cc(C)n1)c1ccc(F)cc1 1595472152 KRFCMVIXWQUTBD-OAHLLOKOSA-N 297.333 3.533 30 20 CHED CCCCCCCCN[C@](C)(C(=O)O)c1ccccc1 1595704316 FLNWYPYPRJDJKE-KRWDZBQOSA-N 277.408 3.937 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1cccc(C#N)c1 1665581915 FORFHEKKHGWPKH-IUODEOHRSA-N 285.391 3.895 30 20 CHED C=CCCC(C)(C)CNc1ccc([N+](=O)[O-])c(C(=O)O)c1 1776165418 RRNJHYDAWHGMMB-UHFFFAOYSA-N 292.335 3.697 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)C1C(C)(C)C1(C)C 1776062368 QNRQXYMXSSJQMZ-UHFFFAOYSA-N 292.354 3.994 30 20 CHED CC(=NNc1ccc(C(=O)O)nc1)c1ccc(C(C)C)cc1 1776069202 WMCAGPJFVVWOSA-UHFFFAOYSA-N 297.358 3.739 30 20 CHED C[C@@H]1CCc2c(C(=O)Nc3cccc(C#N)c3)csc2C1 15644249 KHKOASOMFPLTPD-LLVKDONJSA-N 296.395 3.997 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](c2ccccc2OC)C1 150798360 LEYZGUYCKAGKMP-MRXNPFEDSA-N 299.414 3.780 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CCCO[C@H]2C(C)(C)C)n1 161503884 RQRIDRFXVJJIRA-LSDHHAIUSA-N 287.407 3.515 30 20 CHED Cc1nnc(NC2CC(C)(C)CC(C)(C)C2)c(C#N)c1C 169232245 ZBFUTGQPXMEAND-UHFFFAOYSA-N 286.423 3.982 30 20 CHED CCCCS[C@@H](C)C(=O)N(CC)c1ccc(C#N)cc1 152100212 LMGAGOUNSOQFQB-ZDUSSCGKSA-N 290.432 3.833 30 20 CHED COCCC1(CN[C@H](C)c2ccc(C#N)cc2)CCCC1 151014838 BCSJJXHMXRNBCG-OAHLLOKOSA-N 286.419 3.806 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccsc1 152903107 VXJKZGXYPLEKJN-GFCCVEGCSA-N 256.374 3.813 30 20 CHED C=C(C)CNC(=O)c1ccc(Cl)cc1SCC 153032603 IJXPBOSFJWPBTO-UHFFFAOYSA-N 269.797 3.758 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](C#N)C(C)(C)C 155280230 IJCKIAIRLXRRII-RISCZKNCSA-N 292.810 3.573 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)N[C@H](CC)CC#N)c1 155883356 SMAUUDRFDOUNGP-QWHCGFSZSA-N 289.379 3.678 30 20 CHED C=CCCCCCN(C)C(=O)c1cc2ccccc2n1C 156846939 BUKZXYYMLQBOTL-UHFFFAOYSA-N 284.403 3.997 30 20 CHED CC[C@@H](C)CS[C@H](C)C(=O)Nc1ccccc1C#N 124238334 JBBVLOTYRFAQAR-VXGBXAGGSA-N 276.405 3.665 30 20 CHED C[C@H]1CC[C@@H](C)N(c2nc(C(C)(C)C)ccc2C#N)C1 1306980351 WXTKLLNEVBWKPB-QWHCGFSZSA-N 271.408 3.876 30 20 CHED Cc1nc(CNc2ccc(C#N)c(C(F)(F)F)c2)cs1 49534652 YUCVDDPOMLKFAA-UHFFFAOYSA-N 297.305 3.954 30 20 CHED COc1cc(CN(C)[C@@H]2CCCC[C@H]2C)ccc1C#N 300197544 LWBVXVMZNZJIAM-CZUORRHYSA-N 272.392 3.577 30 20 CHED C[C@@H](C#N)OCCOc1ccc(Cl)c2ccccc12 311676382 BPTRUWHGMZXTRL-NSHDSACASA-N 275.735 3.801 30 20 CHED CC(C)OC1CCN(c2cc(Cl)ccc2C#N)CC1 530676581 YUAWDUQPHFKIKW-UHFFFAOYSA-N 278.783 3.605 30 20 CHED Cc1cc(C#N)cc(C)c1OCCOc1ccccc1 88154117 NQRMIZUEYFTMJA-UHFFFAOYSA-N 267.328 3.633 30 20 CHED CC(C)OC1CCC(N[C@H](C)CC(C)(C)C#N)CC1 703830823 MPAHNOVSVRYSHU-WLYUNCDWSA-N 266.429 3.641 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 483944896 CZASIZOVCLEKHT-CYBMUJFWSA-N 260.356 3.709 30 20 CHED CS[C@@H]1CCCCN(CCCCC(C)(C)C#N)C1 373037102 VBDVUJQXANUIBM-CQSZACIVSA-N 268.470 3.924 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(OC)c(COC)c1 383543687 FHPXOYNLEIVILT-AWEZNQCLSA-N 277.408 3.849 30 20 CHED CC(C)(CC(=O)Nc1ccc(Cl)cc1C#N)C1CC1 695632251 FBCVGQMKBARNIH-UHFFFAOYSA-N 276.767 3.976 30 20 CHED C=CCCOC(=O)C1(c2cccc(Cl)c2)CCC1 729072500 LTYOQSUHXQADSM-UHFFFAOYSA-N 264.752 3.881 30 20 CHED Cc1cccc(OCc2ccc(CC#N)cc2)c1F 399132517 OMXHGRPDXWYXEZ-UHFFFAOYSA-N 255.292 3.779 30 20 CHED N#Cc1ccc(N2C[C@H]3CCC[C@H]2C3)cc1Br 1307228790 UQNBXWVHYYMVBS-JQWIXIFHSA-N 291.192 3.700 30 20 CHED CSc1ccccc1[C@@H](C)Nc1ncccc1C#N 336915195 AYNWTVWLWNVYPR-LLVKDONJSA-N 269.373 3.848 30 20 CHED CC(C)c1cccc(NC(=O)COc2ccc(C#N)cc2)c1 7689935 RGGWMIZAWIWMNY-UHFFFAOYSA-N 294.354 3.699 30 20 CHED COc1ccc(N(CCCCC#N)C(C)C)cc1F 102401708 QWVCHFSBVFXLJF-UHFFFAOYSA-N 264.344 3.743 30 20 CHED CCCC1CCC(NC(=O)c2cccc(CC#N)c2)CC1 55433450 BWTGDIKFBAZRFZ-UHFFFAOYSA-N 284.403 3.841 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cccnc2C)c1 107066940 IKKPVHDQSBGULH-VOTSOKGWSA-N 251.329 3.903 30 20 CHED Cc1ccc(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 106420694 WUFWKTGTLBTFBI-MRXNPFEDSA-N 298.773 3.572 30 20 CHED COc1ccc2cc(/C=C/C(=O)OCCCC#N)ccc2c1 25053605 PDIWWBKHHQBPPB-WEVVVXLNSA-N 295.338 3.709 30 20 CHED C=CC1CCN(C(=O)CCCOc2cccc(C)c2)CC1 110363555 NDRVCNGSPIFSKO-UHFFFAOYSA-N 287.403 3.579 30 20 CHED C[C@]1(C(=O)Nc2ccc(C#N)c(Cl)c2)CC=CCC1 459863995 MCYRBODIVIQZEQ-HNNXBMFYSA-N 274.751 3.897 30 20 CHED C=CC1CCN(C(=O)c2oc3ccccc3c2C)CC1 110367792 BKGHRWFJMKPFKK-UHFFFAOYSA-N 269.344 3.779 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(CCCCC#N)C1 174045535 GTDPVOLALSJLDE-CJNGLKHVSA-N 260.356 3.902 30 20 CHED C=CCN(CC=C)C(=O)CCCCc1ccc(OC)cc1 57042421 MIQYZNFGWIVFMS-UHFFFAOYSA-N 287.403 3.609 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C2CCCCC2)cc1 60851798 QXTYHCKDLKRCIF-UHFFFAOYSA-N 270.376 3.822 30 20 CHED N#Cc1ccc(/C=C/c2ccc(F)cc2Cl)nc1 178322979 XODVOPMSOMURRA-ZZXKWVIFSA-N 258.683 3.916 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCC2(CCCCC2)C1 111162763 DIHLVYURYQMGDZ-HNNXBMFYSA-N 279.424 3.541 30 20 CHED O=C(/C=C/c1csc2ccccc12)c1cnccn1 115962761 IIQIWGJLNOZOOL-AATRIKPKSA-N 266.325 3.587 30 20 CHED CCOC(=O)CCCCCSCc1ccc(C#N)cc1 172215065 OACIJIFRMRPMRD-UHFFFAOYSA-N 291.416 3.915 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(C)c1F 179951036 CGSBQXVJILHDAK-UHFFFAOYSA-N 250.317 3.564 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cccc(C)c1O 179856403 HAKCENMYOPYUBM-UHFFFAOYSA-N 292.382 3.761 30 20 CHED CC[C@H](NCCCCC#N)c1cc(F)ccc1F 118963353 RKPDOKUOJWYQCD-AWEZNQCLSA-N 252.308 3.699 30 20 CHED N#CCCCCNCc1c[nH]nc1-c1cccc(Cl)c1 176494691 AAPROBDDVGTHIP-UHFFFAOYSA-N 288.782 3.514 30 20 CHED C[C@H](CSc1cc(C#N)ccn1)c1ccccc1 116611859 SYURSXRDAVFVQL-GFCCVEGCSA-N 254.358 3.849 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1cccc(C)c1 116971715 XJBUEBQPHVTFSO-ZBFHGGJFSA-N 272.392 3.806 30 20 CHED CC(C)[C@@H](Nc1cccc(C#N)n1)c1ccccc1 301529627 OTNGUBNKBCRWDB-MRXNPFEDSA-N 251.333 3.762 30 20 CHED CCCc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 63327272 BYLZXUQHTKANMG-UHFFFAOYSA-N 278.355 3.787 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCC(C)(C)C 348540819 LTHBAZQTDZLWAC-UHFFFAOYSA-N 252.402 3.744 30 20 CHED C=CCCC(=O)Nc1ccc2nn(C(C)C)cc2c1 118625760 XVQRGIFKITVTDK-UHFFFAOYSA-N 257.337 3.522 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@H](C)c1cccc(O)c1 1349310394 KTPCEDMWOBTWAZ-CYBMUJFWSA-N 261.365 3.514 30 20 CHED C=CCOc1ccccc1CNc1sccc1[N+](=O)[O-] 301985318 CLWXOIVCQVOFFQ-UHFFFAOYSA-N 290.344 3.833 30 20 CHED N#Cc1cc(CN[C@H](c2ccccc2)C2CC2)ccc1F 179699383 UKCRDXVANOGHCQ-GOSISDBHSA-N 280.346 3.938 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 69316760 AWDIPCSXVGVHFO-GFCCVEGCSA-N 281.783 3.877 30 20 CHED C[C@@H](Nc1c(F)cc(C#N)cc1F)c1nc2ccccc2[nH]1 301082846 FPYQSXIJVFPGJT-SECBINFHSA-N 298.296 3.886 30 20 CHED O=C(/C=C/c1ccc(O)c(Cl)c1)c1cccc(O)c1 60132628 FKNPHEZKVSDIOL-GQCTYLIASA-N 274.703 3.647 30 20 CHED N#CCC1(CNCC2CCC(C(F)(F)F)CC2)CC1 430009856 ZRLVFGSBQFZBFA-UHFFFAOYSA-N 274.330 3.639 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OCCC)cc1 125022493 PBCQQRBVUZTXJL-GFCCVEGCSA-N 262.353 3.562 30 20 CHED C=CCCCNc1cc(Br)cc(OC)c1 123629862 JTHWAQGAKXJMFI-UHFFFAOYSA-N 270.170 3.836 30 20 CHED CC#CCCCC(=O)N(CC1CCCCC1)C1CC1 185234462 UPRUWKYLQUFEGB-UHFFFAOYSA-N 261.409 3.751 30 20 CHED Cc1ccc(-c2nnco2)cc1NCc1cccc(C#N)c1 121912406 KZZFFMWEHDWRRD-UHFFFAOYSA-N 290.326 3.529 30 20 CHED COc1ccc(C)cc1CSc1cccc(C#N)n1 301819082 FWDNDYUZYUIXKB-UHFFFAOYSA-N 270.357 3.563 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1cccc(F)c1 120642325 XFSRPTVFWRDIMQ-GQCTYLIASA-N 260.239 3.567 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@H]1c1ccncc1 119872926 SUNGBHHUXCLVPP-OAHLLOKOSA-N 257.381 3.548 30 20 CHED COc1cc(C#N)ccc1CSCCC1CCOCC1 419479852 PGWJANNZNAXAKT-UHFFFAOYSA-N 291.416 3.617 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)s1 33409708 LZKUKRHYIAJORK-YVMONPNESA-N 273.313 3.861 30 20 CHED COc1ccc(O)c(C(=O)/C=C/C=C\c2ccccc2)c1 216328001 VFASYYGWYPWQEQ-VTBWALSUSA-N 280.323 3.853 30 20 CHED N#CC1CCN(CCOc2cc(Cl)ccc2Cl)CC1 32182015 SCDYBFRREWHSCO-UHFFFAOYSA-N 299.201 3.608 30 20 CHED C=CC[C@@H](CC)N[C@H](C(=O)OCC)c1cccc(Cl)c1 500779736 JZJMSLZPZXDULE-CABCVRRESA-N 295.810 3.889 30 20 CHED C=CCN(CC=C)C(=O)Cc1csc(-c2ccccc2)n1 31865433 DOLLQCXUEQWQTJ-UHFFFAOYSA-N 298.411 3.553 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)CC1CCCC1 410963094 FFACZVFWYCEEMY-UHFFFAOYSA-N 276.767 3.925 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc2ccccc2c1 185222289 BUKWEZLODBIDOJ-UHFFFAOYSA-N 265.356 3.506 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c(C)c1 211768740 ZLFCYYDCJPNMNS-ALCCZGGFSA-N 280.323 3.928 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1cccc(SC)c1 187946898 PFMCHHCWXGRIGG-OAHLLOKOSA-N 263.406 3.974 30 20 CHED N#CCOc1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)cc1 120782275 ZQHCZLJSOUXSQX-LZCJLJQNSA-N 299.276 3.763 30 20 CHED C=C(C)CCN1CCN(CCC(=C)C)[C@@H]([C@H](C)CC)C1 509034016 SHHGZGUGCSLZRY-QZTJIDSGSA-N 278.484 3.951 30 20 CHED COC(=O)c1ccc(CSCC2(C#N)CCC2)cc1F 419426838 NWDCJKHTJMLBCV-UHFFFAOYSA-N 293.363 3.539 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](CC)c1ccncc1 181383093 LFSMCXVVOVFIGW-ZFWWWQNUSA-N 275.396 3.577 30 20 CHED C#CCCCCC(=O)Nc1cc(C#N)ccc1NCCC 180259782 SLUQFMQQWVCDHD-UHFFFAOYSA-N 283.375 3.512 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 180302034 PYIZANZEMZPTGC-GFCCVEGCSA-N 291.778 3.648 30 20 CHED CCC(C)(C)NCc1cccc(OCCCC#N)c1 76398814 YCFNVCZVQONMSL-UHFFFAOYSA-N 260.381 3.647 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1cc(Cl)cc(Cl)c1 417632166 WLJYUQQRYRDZFV-LBPRGKRZSA-N 288.174 3.502 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCCOCC1 182699224 LDUOVOXBVXLTLN-FNQVVVRFSA-N 288.174 3.687 30 20 CHED COc1ccc(CNc2cc(F)cc(C#N)c2)cc1C 600855436 DFNFHKCLQOSKHI-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CSC[C@@H]1CCCN1Cc1ccccc1C(C)(C)C#N 135476880 OYNCHEWRVSIKER-HNNXBMFYSA-N 288.460 3.815 30 20 CHED C#Cc1cccc(NC(=O)N(CC(C)C)CC(C)C)c1 47399965 PZXCIIUSGPFWCK-UHFFFAOYSA-N 272.392 3.814 30 20 CHED C=CCN(CC=C)C(=O)CCOc1ccccc1C(C)C 502343623 SVTXOLGOARNXHK-UHFFFAOYSA-N 287.403 3.780 30 20 CHED CCCCN(C(=O)NC[C@H](C)C#N)[C@H](C)c1ccccc1 182765608 MOZPDICRVUUNFK-HUUCEWRRSA-N 287.407 3.719 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(C)C[C@@H](C)C#N 72567804 NKQDTOHRXRWHDO-DZGCQCFKSA-N 264.413 3.601 30 20 CHED CCO[C@@H]1C[C@H](NCC(C)(C)CC#N)C12CCCCC2 414175359 ZCJFGSKBFIMFCI-LSDHHAIUSA-N 278.440 3.644 30 20 CHED CCC(CC)N(CC)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 413817253 UHCGBJOQQHHWBP-DLBZAZTESA-N 284.403 3.699 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CSc1ccccc1 45934859 OTGZXYMHZVSJRN-UHFFFAOYSA-N 297.423 3.994 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 508645000 ISUWWQMYVBWCEX-POHAHGRESA-N 285.303 3.657 30 20 CHED COc1cc(C#N)ccc1OCCSc1ccoc1C 131398317 KPFVDFCHDDKUJB-UHFFFAOYSA-N 289.356 3.639 30 20 CHED Cc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)s1 48579074 WUDJJAXSVBHRLB-ONEGZZNKSA-N 279.342 3.922 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCCc2occc21 192808196 LNAGCMDAMVAFNF-OAHLLOKOSA-N 297.354 3.652 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@@H]1C1CCCCC1 509978084 SABLZFPASGEQLM-SJORKVTESA-N 282.387 3.565 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1cc(C)sc1C 44766647 MPVFVBLPDZEUDS-LLVKDONJSA-N 278.421 3.872 30 20 CHED O/C(=N/C12CC3CC(CC(C3)C1)C2)c1ocnc1C1CC1 329458139 OCGWIVIAFDJJTG-UHFFFAOYSA-N 286.375 3.825 30 20 CHED CC(C)(C#N)CCCOc1ccc(Cl)cc1C=O 87599058 QUODPPWXBJKIBK-UHFFFAOYSA-N 265.740 3.861 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1 191571639 BXSVNCSJYVOAEC-TUAOUCFPSA-N 265.401 3.618 30 20 CHED C[C@H](OC(=O)c1cc(C#N)cs1)c1cc(F)ccc1F 83939636 XFIQOVFZYIDXTE-QMMMGPOBSA-N 293.294 3.816 30 20 CHED N=C(O)[C@@H]1CCC[C@H](/C(O)=N/CC2(C3CC3)CCC2)C1 329896449 KYMSDAFWVFMZEX-NEPJUHHUSA-N 278.396 3.865 30 20 CHED N#Cc1ccc(N2Cc3ccccc3C2)cc1Br 228185204 SVDCKWJDTIMJDZ-UHFFFAOYSA-N 299.171 3.841 30 20 CHED C=CCN(CCc1ccccc1)Cc1cnc(CC)s1 512031807 RBWLJEHUPUOMFR-UHFFFAOYSA-N 286.444 3.936 30 20 CHED Cc1nc(C)c(N=C(O)c2scnc2C2CC2)s1 328898169 XYURGWPNSKJAIU-UHFFFAOYSA-N 279.390 3.730 30 20 CHED C[C@H]1CCCC[C@@H]1OCC(O)=Nc1ccc2nc[nH]c2c1 329258099 CEODGYQVFQEJCW-NHYWBVRUSA-N 287.363 3.746 30 20 CHED CC[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)C(C)(C)C 517282165 ZYJHGTACPZUCPC-OAHLLOKOSA-N 287.407 3.524 30 20 CHED C[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1cccs1 425127328 ISKUZARNZPMZKO-OLZOCXBDSA-N 298.411 3.943 30 20 CHED CCc1cccc(NC(=O)N(C)Cc2cccc(C#N)c2)c1 43333514 ZGIQUHKIZUUTLS-UHFFFAOYSA-N 293.370 3.785 30 20 CHED C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCCCC#N 194463099 LYSWWCVCHTYRND-ZDUSSCGKSA-N 289.375 3.598 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC(F)F)c1ccccc1 422254687 FXZXSLJMZFMWKM-ZDUSSCGKSA-N 282.334 3.600 30 20 CHED C=CC[C@@H]1N(C[C@H]2CCCC[C@H]2O)CCCC1(C)C 519778739 SIBFMZSXQNHDSC-OAGGEKHMSA-N 265.441 3.604 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(C#N)cc1F 194357829 TYGPTPRZIVYOOJ-UHFFFAOYSA-N 295.317 3.580 30 20 CHED C[C@H]1CCN([C@H](C(=N)O)c2ccc(C#N)cc2)CC12CCC2 335946968 CJYNTXWPZOURML-BBRMVZONSA-N 297.402 3.647 30 20 CHED C=CCCc1csc(-c2ccnc(Cl)c2)n1 90065524 ITXHDXCTKBNXKI-UHFFFAOYSA-N 250.754 3.977 30 20 CHED Cc1ccc(C)c(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 334930371 KOAWQHNYLXDLBW-UHFFFAOYSA-N 293.370 3.839 30 20 CHED CC[C@@H](c1ccccc1)[S@](=O)Cc1ccccc1C#N 339151199 AUFPKXZEHVHVPE-FXAWDEMLSA-N 283.396 3.958 30 20 CHED N#CCC[C@H](C#N)CNc1cc(Cl)c(F)c(Cl)c1 519797807 OLKADQPRCFDNJG-MRVPVSSYSA-N 286.137 3.988 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 98007830 KTADNCCVQYLKTP-WCIBSUBMSA-N 283.302 3.680 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)Cc1ccccc1 337708434 AZIKTNVWMYGLQD-CQSZACIVSA-N 284.407 3.614 30 20 CHED CC(C)C[C@H](C)n1nccc1N/C(O)=N/C1CCCC1 330881036 NLOGTICSJSZRFA-LBPRGKRZSA-N 278.400 3.759 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(F)c1Cl 335995042 ARTYZJNYECJIET-UHFFFAOYSA-N 278.670 3.505 30 20 CHED C=CCC1(C(=O)NCCc2ccc(C)nc2)CCCCC1 516241717 KBVRMESANCFPBH-UHFFFAOYSA-N 286.419 3.575 30 20 CHED CC(C)(C#N)CC(=O)Nc1cnccc1Oc1ccccc1 339246489 BFDJOCNJFCAZAJ-UHFFFAOYSA-N 295.342 3.752 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cscc1C 334552320 QYMMPQNBUZCEQF-NSHDSACASA-N 250.367 3.629 30 20 CHED CCc1ocnc1/C(O)=N/[C@H]([C@H](C)CC)C(F)(F)F 331223165 LJSBILBQFAMGNB-GMSGAONNSA-N 278.274 3.519 30 20 CHED C[C@H](c1ccc(F)cc1F)N(C)CC(C)(C)C#N 433304544 LHDCKLJSFAYJHN-SNVBAGLBSA-N 252.308 3.507 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccnn1[C@@H](C)CC(C)C 439387339 NQFJCJRRIJJACW-KBPBESRZSA-N 292.427 3.966 30 20 CHED Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)oc1C 335082393 DFUGPFZDQDVWTA-LBPRGKRZSA-N 282.343 3.601 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)c(Cl)cc1F 439977420 ZTDJNFVKUKJVIE-ZCFIWIBFSA-N 277.126 3.829 30 20 CHED C=CCOc1cccc(/C=C2\Oc3cc(O)ccc3C2=O)c1 96930460 ALGDTZJFOIUPRT-YVLHZVERSA-N 294.306 3.573 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)N1CCC(CC#N)CC1 336429615 BTKGHNAFENZMPD-OAHLLOKOSA-N 299.418 3.700 30 20 CHED Cc1ccc(C(C)(C)CNCc2cc(C#N)cs2)cc1 237638457 ASKSQNCIQKQFDL-UHFFFAOYSA-N 284.428 3.996 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)[C@H]1c1cccnc1 335323519 ZAOUCZJWUQQMMF-HNNXBMFYSA-N 283.400 3.598 30 20 CHED CC[C@H](C#N)Nc1cccc2c1CN([C@H](C)C(C)C)C2 249117487 OQFBZYXVCSTHSV-UKRRQHHQSA-N 271.408 3.761 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245738971 UMZJMGRDECEKHW-DLTWYDFYSA-N 276.424 3.647 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CC2CCCC2)cc1 520886861 OWGJUJVPCDGZDC-MRXNPFEDSA-N 270.376 3.510 30 20 CHED CC[C@H](CCc1ccccc1)N[C@H]1CC[C@@H](C#N)C1 527890296 HHEAZZUSSICZFQ-ZACQAIPSSA-N 256.393 3.680 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc2cccnc12 343246751 IOCHKNKPCCGEHD-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC(F)(F)C[C@H]1C 528291025 CICHHIKQURVLPD-VXGBXAGGSA-N 298.381 3.602 30 20 CHED CC1=Nc2ccccc2C12CCN([C@H]1CC[C@@H](C#N)C1)CC2 602867195 YPTHHWWTJSERON-CVEARBPZSA-N 293.414 3.818 30 20 CHED Cn1cc(-c2ccc(/C=C/c3ncccc3C#N)s2)cn1 436473261 LFSWCSALPAGCCX-GQCTYLIASA-N 292.367 3.586 30 20 CHED O=C(/C=C\c1cccc(Cl)c1Cl)c1cnccn1 254984636 FNIAFLBTPDCREM-PLNGDYQASA-N 279.126 3.680 30 20 CHED CC[C@H](C)[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)c1ccccc1 251853907 NKCJACHYBNFDLY-LLLHUVSDSA-N 284.403 3.625 30 20 CHED C[C@@H]1CCCC[C@@H]1CN(CCC#N)Cc1ccco1 346210411 OGZGASBQCQFOAP-HUUCEWRRSA-N 260.381 3.822 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(-c2nc(C)co2)ccc1C 347410685 CEXHRFYZNKQLNI-LLVKDONJSA-N 285.347 3.654 30 20 CHED CCC(C)(C)c1n[nH]c(=N[C@@H](CCC#N)c2ccccc2)o1 603318685 XAEMILJGHKMNCG-AWEZNQCLSA-N 298.390 3.636 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2CCC)CC1 521167510 QSEGCMASHHWIDC-JKSUJKDBSA-N 278.440 3.953 30 20 CHED CCCN(Cc1ccc(OC)cc1)[C@@H]1CC[C@H](C#N)C1 528740278 SMHJGBFEWSKYPQ-JKSUJKDBSA-N 272.392 3.599 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 523513132 LHJYQNUGKJZYDJ-FICVDOATSA-N 287.403 3.806 30 20 CHED CCC(=O)Nc1ccc(C)c(NC[C@@H](C)CCC#N)c1 602491549 AMCNFOVEAYZDGC-LBPRGKRZSA-N 273.380 3.695 30 20 CHED CCCN(CC#N)C(=O)c1sc2cccc(F)c2c1C 299159195 YQHDPZAEKCOTHH-UHFFFAOYSA-N 290.363 3.725 30 20 CHED CCc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1 255342370 RLPUSZQYDFKTLS-FPLPWBNLSA-N 255.292 3.679 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCCC1=CCCCC1 602500643 CQQYEOBKIJVLPD-OAHLLOKOSA-N 276.424 3.565 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2cccc(C(F)(F)F)c2)o1 254531993 DXRTVRQPHXUTGV-UHFFFAOYSA-N 299.208 3.653 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CC[C@H](C)CC1 606978223 FAFRAZYASHTSRM-SHTZXODSSA-N 266.429 3.953 30 20 CHED C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC(F)(C#N)CC1 352484284 NJRLJLLUIMHNHS-ZDUSSCGKSA-N 299.349 3.730 30 20 CHED CC[C@](C)(OC)c1noc(C[C@H](CC#N)c2ccccc2)n1 350460548 YGUZTUGPRTWKOM-YOEHRIQHSA-N 299.374 3.581 30 20 CHED C=CC[C@@H]1N(Cc2noc(C(C)(C)C)n2)CCCC1(C)C 444780584 NKAJZHPQIPNKPR-ZDUSSCGKSA-N 291.439 3.934 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccc2ccccc2c1 351646950 QLWDTMPGMMAKRX-CQSZACIVSA-N 252.361 3.964 30 20 CHED C=CC[C@@H]1N(C(=O)NCCCCCOC)CCCC1(C)C 445008773 IQIRFRIITJVGAL-HNNXBMFYSA-N 296.455 3.579 30 20 CHED CC(C)C(C)(C)CNC(=O)Nc1ccc(F)cc1C#N 446343453 WNEAXCRCEJZIRB-UHFFFAOYSA-N 277.343 3.501 30 20 CHED Cc1ncc([C@@H](C)Nc2nc(C)c(C#N)cc2Cl)s1 601227293 DYHYAIUUKKMZCM-MRVPVSSYSA-N 292.795 3.853 30 20 CHED C=CCC1(C(=O)N2CCC(C(F)(F)F)CC2)CCCC1 449993480 QBWNPASSFWLLCR-UHFFFAOYSA-N 289.341 3.924 30 20 CHED C=CCOc1cccc(CN2C[C@H](C)S[C@@H](C)C2)c1 536655910 YWPBTLAUXPOEOD-KBPBESRZSA-N 277.433 3.577 30 20 CHED CCS[C@@H]1CCCC[C@H]1NC[C@H](C)CCC#N 602566052 UZWSVSXXIJWVAA-MGPQQGTHSA-N 254.443 3.580 30 20 CHED FC(F)(F)c1ccc(C#CCN2C3CCC2CC3)cc1 531177560 RLCMINBAOKFVNF-UHFFFAOYSA-N 279.305 3.684 30 20 CHED Cc1nnc(SCCCCOC(C)(C)C)c(C#N)c1C 352932862 VIYAPJNNGFCWLL-UHFFFAOYSA-N 293.436 3.653 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@H]1NCC1CCC(C#N)CC1 442877417 UHNMOYQZFHTANK-YGFYOVKCSA-N 286.394 3.979 30 20 CHED C[C@@H](C#N)CN(C)Cc1cnc(CCc2ccccc2)s1 449013399 CIGISGQPTZJXGF-AWEZNQCLSA-N 299.443 3.520 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H](CC(C)C)C1)OCC 533696241 RIGXOHBSZMJFQZ-CVEARBPZSA-N 281.440 3.642 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccs1 265456396 FJXKZXPHMZWDQK-LBPRGKRZSA-N 256.374 3.813 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)nc1 352168459 RQWUBFKSWSNUBY-UHFFFAOYSA-N 279.343 3.523 30 20 CHED CC(C)CSCCN[C@@H]1CCc2ccc(C#N)cc21 353266115 JCDPWCMWKMMOIE-MRXNPFEDSA-N 274.433 3.524 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 358290252 DPFHKKZHWPIVIT-VHSXEESVSA-N 271.307 3.522 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCC(C)(C)C[C@H]1C)OCC 534424055 OYIKTRKDCUPHEJ-ILXRZTDVSA-N 281.440 3.689 30 20 CHED CC(C)CC[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618807174 SWBJDPYEZMNKRU-SUMWQHHRSA-N 256.393 3.960 30 20 CHED Cc1nn(CCc2cc(Cl)ccc2Cl)cc1C#N 359397398 WDCVXYRUTSIFJG-UHFFFAOYSA-N 280.158 3.613 30 20 CHED Cc1cccc(C2(C(=O)N[C@H](C#N)CC(C)C)CCCC2)c1 611250393 CPSLSUATSJNNDI-KRWDZBQOSA-N 298.430 3.861 30 20 CHED CCc1cccnc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 611559435 AYWRSTZYVSCVMR-KBPBESRZSA-N 279.387 3.927 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](CC)Oc1ccccc1F 537228978 FFIRRJMPXKJWSV-ZFWWWQNUSA-N 293.382 3.844 30 20 CHED C=CCN(C(=O)Nc1cccnc1-c1ccccc1)C1CC1 357721134 KPMXAAFXMVWKAD-UHFFFAOYSA-N 293.370 3.931 30 20 CHED C=CCCC[C@@H](C)N[C@H]1Cc2[nH]c3ccccc3c2C1 442834525 DNWYIKPBQOCLIA-ZIAGYGMSSA-N 268.404 3.970 30 20 CHED CC(C)N(CCCC#N)Cc1cccc(Br)c1 353479306 BOHXDCKMSJWUHM-UHFFFAOYSA-N 295.224 3.963 30 20 CHED C[C@H](c1ccc(OC(F)F)cc1)N1CCC(F)(C#N)CC1 352458772 OTTZNYGZMAYDSP-LLVKDONJSA-N 298.308 3.677 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N1CCc2ccc(C#N)cc21 450260058 ZLPQBNDEEDRJEM-GDBMZVCRSA-N 282.387 3.664 30 20 CHED CC(C)(CC#N)CNCc1ccc(OCC2CC2)cc1 459731223 MXFBCMQBELPCCA-UHFFFAOYSA-N 272.392 3.505 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC/C=C\c1ccccc1 618743186 ZNXPIXMXBSDRDA-BQHGXPCASA-N 274.367 3.849 30 20 CHED C[C@H](CSc1ncccc1C#N)c1ccccc1 530374289 WFAHBWWOHICGPH-GFCCVEGCSA-N 254.358 3.849 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(C(=O)NCC(C)(C)CC#N)C1 459242600 RYPARGOCKCEAIU-GOEBONIOSA-N 299.418 3.719 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)NCC(C)(C)CC#N 458246145 GMVYLYPBSRDWPE-KBPBESRZSA-N 279.428 3.584 30 20 CHED C=C[C@@H](CC(=O)NCCC(C)(C)C)c1ccccc1 533924342 BDHIPIZVQYJZIQ-AWEZNQCLSA-N 259.393 3.899 30 20 CHED C=C[C@H](C)NC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 362626740 JPNYYFSQRZAKRC-HZSPNIEDSA-N 257.377 3.667 30 20 CHED C=C(C)CCSc1nc2ccc(C(=O)OC)cc2o1 614083644 QQLKRLWDWZQTAL-UHFFFAOYSA-N 277.345 3.673 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 276052149 YERCMUNPFYSSPJ-KPZWWZAWSA-N 283.371 3.696 30 20 CHED CCC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)C1CCC1 459323480 JMCAWQJMMMKVMX-MRXNPFEDSA-N 285.391 3.843 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCCOc2cc(F)ccc21 367901672 LKDDIGWYSXSFJB-OAHLLOKOSA-N 290.382 3.959 30 20 CHED CCCCN(C(=O)Nc1cc(C)cc(C#N)c1)C1CC1 455977601 BXPKQWFGVSUSRT-UHFFFAOYSA-N 271.364 3.663 30 20 CHED CC(C)Oc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 274636397 QAQZRPXAHYXLDW-DZKIICNBSA-N 272.392 3.817 30 20 CHED COCCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542016490 GLPPNGWAJHUGTR-HNNXBMFYSA-N 294.398 3.912 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC(C)(C)[C@H]2C2CC2)cc1 367973851 QRYMPKJZYPPULQ-CXAGYDPISA-N 284.403 3.598 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@@H](c2ccccc2F)C1 360267262 NTTZXGUFPPCYEV-TZMCWYRMSA-N 281.334 3.841 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(COc2ccccc2C#N)n1 547102481 DDJQLACMDNIHLD-GXTWGEPZSA-N 297.358 3.814 30 20 CHED C#CC[C@H](N[C@H](C)c1cnc(C)nc1C)c1ccccc1 271468199 IDEKXIOLGABPPI-KDOFPFPSSA-N 279.387 3.509 30 20 CHED Cc1ccc2oc(-c3noc([C@@]4(C#N)C[C@@H]4C)n3)cc2c1 453163667 ITOLKPPXVXGNTQ-MGPLVRAMSA-N 279.299 3.592 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)CCC 620953035 STBFYPNNDAUAHM-HNNXBMFYSA-N 274.408 3.615 30 20 CHED C=CCN(C(=O)CCc1cccc(F)c1F)C(C)(C)C 622943976 ZOWPZWQUAQJRBM-UHFFFAOYSA-N 281.346 3.711 30 20 CHED C=CCOc1ccc(OCc2sc(C)nc2C)cc1 360831122 GTAWFMZIFBSWFF-UHFFFAOYSA-N 275.373 3.904 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1 454347583 SUYWLULFVCPZGU-CQSZACIVSA-N 285.391 3.700 30 20 CHED N#CCNC1(c2ccccc2Br)CCCCC1 451690527 OJLQXLPVUBWONE-UHFFFAOYSA-N 293.208 3.722 30 20 CHED CN(Cc1csc(Br)c1)[C@@H]1CC[C@H](C#N)C1 278750918 WZVDKRKONDNLEA-GXSJLCMTSA-N 299.237 3.635 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1ccc(C#N)s1 546865809 FMXAGRRPUFRQAY-LBPRGKRZSA-N 284.384 3.728 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)Cc1cccc(F)c1 620861467 RAWGFXXODSQMTC-ZDUSSCGKSA-N 277.383 3.865 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)C(C)(C)C 622944585 YILXCCRDJVPMSX-CHWSQXEVSA-N 277.433 3.973 30 20 CHED Cc1ccc2c(C(=O)N[C@@](C)(C#N)C(C)C)csc2c1 279978183 KJLDCLZVXXPVQM-INIZCTEOSA-N 286.400 3.878 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1ccc(F)c(C#N)c1 547764303 CTYHIYWPYGCQST-CHWSQXEVSA-N 296.345 3.619 30 20 CHED CCCC[C@@H](COC)Nc1nc(C)c(C#N)cc1Cl 461972798 KYAPUJZARQDHGY-LBPRGKRZSA-N 281.787 3.532 30 20 CHED C=C(C)[C@H](Cc1nc(Cc2ccc(C)s2)no1)OCC 289166963 PYAMADVLYIBMLP-ZDUSSCGKSA-N 292.404 3.554 30 20 CHED COc1cc(CN(C2CC2)[C@@H](C)c2ccco2)ccc1C#N 282436643 UGQSNIDCDGWTCT-ZDUSSCGKSA-N 296.370 3.885 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1ccccc1Cl 466391200 WPOLMNGBNPWCQV-ZDUSSCGKSA-N 280.799 3.836 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC(F)F)cc1F 283584027 WUESBFWROLQWEU-QMMMGPOBSA-N 288.269 3.513 30 20 CHED C=CCC[C@H](NC[C@H](O)CC(C)(C)C)c1ccco1 552058281 AGJRWNKLBZCANX-KGLIPLIRSA-N 265.397 3.674 30 20 CHED CCCOc1cccc(-c2noc([C@](C)(C#N)CC)n2)c1 288978809 RBKKLDHHIFYNGZ-INIZCTEOSA-N 285.347 3.717 30 20 CHED CC#CCCCC(=O)Nc1cc(F)c(OC(C)C)c(F)c1 466257654 JHJJGJHQRKBOFA-UHFFFAOYSA-N 295.329 3.884 30 20 CHED CCOC1CC(CN(Cc2ccc(C#N)cc2)C(C)C)C1 285848845 CRUZIXRKTNIBBS-UHFFFAOYSA-N 286.419 3.584 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1C[C@@H]1C(F)F 558257450 FLYGHIIBZDCBEL-ZNMIVQPWSA-N 276.330 3.569 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 466981879 XAONHIPBEXVZDR-SOUVJXGZSA-N 264.413 3.563 30 20 CHED C=C[C@@](C)(CC)C(=O)N1C[C@H](C)CN(C)c2ccccc21 468012080 QFLYGFSDFWOFOH-KDOFPFPSSA-N 286.419 3.708 30 20 CHED C[C@@H](c1ccccc1)N(C)CCOc1ccccc1C#N 383934207 KCLLYNLTEDLROP-HNNXBMFYSA-N 280.371 3.630 30 20 CHED C=C[C@H](C)N[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 638750458 ULOPABPTQPXRSV-YXJHDRRASA-N 270.420 3.519 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)c1ccc(OC)cc1 281421129 QUWVPSSUPJPQCM-UKRRQHHQSA-N 290.407 3.752 30 20 CHED N#Cc1cccc(C(=O)NC[C@H]2CCCCC(F)(F)C2)c1 298443406 ZEJZNEPSJPIAES-ZDUSSCGKSA-N 292.329 3.504 30 20 CHED Cc1c(NN=C[C@@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] 800811911 NUHKOXHNKVBPGA-CMPLNLGQSA-N 261.325 3.737 30 20 CHED CCCc1nnc(S)n1N=C[C@H]1CCC[C@H](CC)C1 808009386 DIHGXPQFHHRIKU-RYUDHWBXSA-N 280.441 3.570 30 20 CHED CC(C)c1ccc2occ(C(=O)OC[C@@H](C)C#N)c2c1 805898734 AHPQPFGDNRQUPC-NSHDSACASA-N 271.316 3.873 30 20 CHED C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1c1ccccc1 559105866 IRHVUKPYDCDGOV-ATLSCFEFSA-N 268.404 3.804 30 20 CHED CC#CCCCC(=O)OCc1cccc(-c2ccccn2)c1 800975131 SKIBLMZPFIXIET-UHFFFAOYSA-N 293.366 3.985 30 20 CHED C=CCC[C@H](NC1C[C@@H]2CC[C@H](C1)N2C)c1ccco1 296575195 TXSBMHMOWLFYAA-UYTSQGDYSA-N 274.408 3.502 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H]2C[C@@H]21 807022450 GRTRRNRNESJGRV-KBPBESRZSA-N 252.402 3.541 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccccc2C(F)(F)F)no1 290121634 GKKHRIYPYSPJET-CYBMUJFWSA-N 295.264 3.947 30 20 CHED C=CCCC1(C(=O)NCC2(c3ccccc3)CCC2)CC1 474422487 SKJFMXSGULPJIA-UHFFFAOYSA-N 283.415 3.971 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc2c(ccn2CCC)c1 806257301 GIRQTRGGVZVZSO-CQSZACIVSA-N 283.375 3.585 30 20 CHED C=CCCCCCCNC(=O)C1(c2ccccc2)CC1 805218151 TYRNUHSYLAMVEE-UHFFFAOYSA-N 271.404 3.971 30 20 CHED Fc1cccc(NN=Cc2c[nH]c(C(F)(F)F)c2)c1F 807973535 DYVFGARAFMSAPP-UHFFFAOYSA-N 289.207 3.758 30 20 CHED Cc1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1 806579875 VAMIMYZVNLTVMP-WQLSENKSSA-N 269.731 3.866 30 20 CHED COc1cc([C@H](C)NCCC#N)ccc1OCCC(C)C 299668938 MCWFYZPSCIXYGI-AWEZNQCLSA-N 290.407 3.684 30 20 CHED Cc1cc(C)c(C#N)c(NC2CC(c3ccccc3)C2)n1 476466983 YUEBFMRYLUCOAC-UHFFFAOYSA-N 277.371 3.928 30 20 CHED C[C@@H]1CC[C@H](C=NNc2nc(-c3ccccc3)no2)C1 800811683 FJYOSDWPUURRLU-NEPJUHHUSA-N 270.336 3.571 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H]1CC12CCCCC2 477231031 XKMZTBDYMDXPSM-MRXNPFEDSA-N 299.414 3.838 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2cc(C)ccc2s1 290759875 QKJLYSPBJSSKOO-GFCCVEGCSA-N 272.373 3.632 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C)cc1OC 566613699 CPNGCZHSQSKUHO-MPGHIAIKSA-N 289.419 3.635 30 20 CHED N#CCCCOc1cccc(NC[C@@H](O)c2ccccc2)c1 819415599 GHGKMXKDSIEKGS-GOSISDBHSA-N 296.370 3.515 30 20 CHED C=C(C)[C@H](N[C@H]1CCCOCC1)c1ccc(F)c(F)c1 480692317 ABJLRSDOHJFYAE-BBRMVZONSA-N 281.346 3.741 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)C(=O)c1ccc(C)c(C)c1 815310634 FESGJZLSNXIPAD-GFCCVEGCSA-N 296.313 3.629 30 20 CHED C=C[C@@H]1CCCCN1C/C=C/CN1CCCC[C@@H]1C=C 489437281 NUOKIHNIAUYHJE-JKXAQMCXSA-N 274.452 3.624 30 20 CHED C=CCC(C)(C)CN[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C 815637211 QFRZIYVFCOHGAZ-KGLIPLIRSA-N 298.471 3.870 30 20 CHED C=CCCCCOC(=O)[C@@H]1SCCc2sccc21 811011268 QGUXUAVUGVYEQH-CYBMUJFWSA-N 282.430 3.978 30 20 CHED N#Cc1c(C(F)F)cccc1N1CC(F)(F)C(F)(F)C1 572303579 ORDQDWOVECKTTO-UHFFFAOYSA-N 294.198 3.586 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 815698948 FYVYTILXBSQJSO-DZGCQCFKSA-N 293.357 3.850 30 20 CHED C=CCCCCOC(=O)Cc1cc(F)c(F)cc1F 811011467 YVARQIJSDIFWIM-UHFFFAOYSA-N 272.266 3.546 30 20 CHED N#Cc1ncc(OCc2ccc(-c3ccccc3)cc2)cn1 488762978 DSQHQDRQHSLIJE-UHFFFAOYSA-N 287.322 3.594 30 20 CHED CC[C@H](c1ccc(Cl)cc1)N(C)C[C@H](C)C#N 488699759 UGNOLYWVVDWUJA-BXUZGUMPSA-N 250.773 3.883 30 20 CHED CCCCCC[C@H](CC)C(=O)N[C@]1(C#N)CC1(C)C 813300660 IVMYCQXFJTVFGP-BBRMVZONSA-N 264.413 3.791 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C/C=C\c1ccccc1F 488872826 BGDCWQHFOSYQFI-SOIVGHGOSA-N 273.351 3.796 30 20 CHED CC(C)OCCON=C1CCCc2c(Cl)cccc21 812237511 DTWUIPPYZWKANA-UHFFFAOYSA-N 281.783 3.822 30 20 CHED CCCCCCCC(=O)N1CCOC[C@H](C2CCC2)C1 814164558 APKUHCBVNXTJGY-MRXNPFEDSA-N 281.440 3.622 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)cc1 813300790 MSTRFUXYSMXBJG-YVEFUNNKSA-N 270.376 3.622 30 20 CHED CC1(COC(=O)c2ccc(C#N)c(Cl)c2)C[C@H]2C[C@@H]2C1 816138836 HGPBTKAZTAGJLJ-CHWSQXEVSA-N 289.762 3.805 30 20 CHED C[C@H]1C[C@@H](CSCc2ccc(CC#N)cc2)CCO1 485580978 ZWBGYOMTAAMKSZ-BBRMVZONSA-N 275.417 3.801 30 20 CHED C=CCCCCSc1nnc(-c2ccncc2)n1CC 578594119 JAFPNUXHZUYNAU-UHFFFAOYSA-N 288.420 3.808 30 20 CHED CC(=NNc1ccc(C)nn1)c1cccc2ccccc12 729936131 IAVZEIXKGMAYNG-UHFFFAOYSA-N 276.343 3.774 30 20 CHED C#CCCCOC(=O)/C=C(/C)c1ccccc1Cl 727630836 MHIFQYXHEGGEPX-QXMHVHEDSA-N 262.736 3.700 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(F)c(C#N)c1 728176151 JPZOQLWIXPHTCB-QMTHXVAHSA-N 291.395 3.562 30 20 CHED C=CC[C@H](CO)CNC(c1ccccc1)c1ccccc1 495051665 SNNOYROVLHRHCN-INIZCTEOSA-N 281.399 3.550 30 20 CHED C=CCCCOc1ccn(Cc2ccccc2)c1C(=O)OC 570974448 SGDZFZWIHNCWIF-UHFFFAOYSA-N 299.370 3.668 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccccc2C#N)C1 728854733 RGROOLFRFJWECB-CDGFNTGHSA-N 296.414 3.902 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(COC)cc1 822990548 NKVOXHQSKGBSCT-UHFFFAOYSA-N 276.380 3.699 30 20 CHED C=CC[C@@H]1CCCN(Cc2scnc2C2CC2)C1 668494360 YAMWOWYTOMXBGS-GFCCVEGCSA-N 262.422 3.809 30 20 CHED CC1(C)Cc2cc(C(=O)OCC#N)sc2-c2ccccc21 726832331 BFQCAAJAVOISSS-UHFFFAOYSA-N 297.379 3.929 30 20 CHED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1sccc1O 588598786 BLHQASXVZIPEFJ-SREVYHEPSA-N 296.351 3.740 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccc(CC(C)C)cc1 726070040 ZIFHIYNPTZVUAB-QGZVFWFLSA-N 270.825 3.886 30 20 CHED CCC[C@H](C)[C@H](CO)N[C@H](C)c1ccc(C#N)cc1Cl 582551087 LTWFLKCJLCPOOI-OZVIIMIRSA-N 294.826 3.659 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(C(C)C)c1 663326056 GTVRYJFPQSJCAT-QZTJIDSGSA-N 273.420 3.881 30 20 CHED C#CCN(C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C)C1CCCCC1 733651133 HMHMBIIFJICCTQ-BFYDXBDKSA-N 290.451 3.789 30 20 CHED C=CCN(CC1CCCCC1)Cn1ncsc1=S 732672003 ZKWWVUZXADARRZ-UHFFFAOYSA-N 283.466 3.700 30 20 CHED Cc1cc(-c2ccccc2C#N)ccc1O[C@H]1CCOC1 589962465 APOCBMDHIUQGGW-INIZCTEOSA-N 279.339 3.701 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccncc2)cc1OCC 588386477 XQNWLSAPNRLVBJ-ALCCZGGFSA-N 297.354 3.775 30 20 CHED CCSCc1cccc(NC(=O)C#CC(C)(C)C)c1 837434858 KIBIUKFMSODZOC-UHFFFAOYSA-N 275.417 3.928 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCCC#N 581224926 MMYHSFMUUBPVOK-UHFFFAOYSA-N 272.392 3.636 30 20 CHED C#CCOc1cccc(NC(=O)[C@@H](C)CC2CCCC2)c1 733933003 LHCVMGXYLZXXCY-AWEZNQCLSA-N 285.387 3.854 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(C)cc1Cl 835012671 XVNMWSDXRFYIKE-LBPRGKRZSA-N 266.772 3.863 30 20 CHED COc1ccc(CCNN=C/C(C)=C/c2ccccc2)cc1 737440817 QXCQVXZFSKJUTF-GDXQVIOJSA-N 294.398 3.917 30 20 CHED N#CCCCCCC(=O)Nc1cccc2ncccc12 588149532 WZINTJUHPXUPQH-UHFFFAOYSA-N 267.332 3.647 30 20 CHED C=C(Cl)CN1CCC[C@@H]1c1ccc(F)c(F)c1 733030338 STHYWHOXUYNWNO-CYBMUJFWSA-N 257.711 3.854 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1sccc1C 733747304 OGJPZKSRMSFKFZ-UHFFFAOYSA-N 255.346 3.764 30 20 CHED C#CCOc1ccc(CNCC[C@@H](C)c2ccccc2)cc1 733327404 QFOFGRYWONKHSK-QGZVFWFLSA-N 293.410 3.982 30 20 CHED N#CCCCCCC(=O)N1CC[C@H](c2cccc(F)c2)C1 588156947 QKYZPRYWUORPDI-HNNXBMFYSA-N 288.366 3.616 30 20 CHED COc1ccc(C)cc1/C=C1\Cc2cc(F)ccc2C1=O 734307871 VJGPMYHPWBUNET-NTEUORMPSA-N 282.314 3.965 30 20 CHED CCCCC[C@H](NC(=O)C#CC1CC1)c1ccccc1 837391882 UWVKUMSNXZRWQT-KRWDZBQOSA-N 269.388 3.838 30 20 CHED C=CCC1(CNC(=O)/C=C/c2cncc(C)c2)CCCC1 836990591 JTHIMJBEGULHJL-VOTSOKGWSA-N 284.403 3.656 30 20 CHED C=CCCC[C@H](NCc1ccc(C2CCC2)cc1)C(=O)O 900068296 DOSHMWPAIQRJJU-KRWDZBQOSA-N 287.403 3.853 30 20 CHED CCc1c(C(C)=NNc2cc(C)ncn2)oc2ccccc12 731935461 ZWRXSFFVJAQSKK-UHFFFAOYSA-N 294.358 3.930 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2cccc(C(=O)O)c2)o1 732761500 GXCBILAHVZSKQN-YGRLFVJLSA-N 284.315 3.547 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 835038304 VKMJNWHGLLRBTC-MGPQQGTHSA-N 295.386 3.576 30 20 CHED COCc1ccc(SCC(=O)c2ccc(C#N)cc2)cc1 673891900 PSVPDEJXDLEFMX-UHFFFAOYSA-N 297.379 3.680 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)C#CC(C)(C)C)c1 837403042 YTQMLXZZAXNXSR-AWEZNQCLSA-N 257.377 3.530 30 20 CHED CCCCCCC[C@@H](C)CNc1ncnc2c1cnn2C 917523851 YCLONLFUTJZPIO-CYBMUJFWSA-N 289.427 3.772 30 20 CHED CCCNN=Cc1ccc(OCCC)cc1OCCC 915965320 GKSBFOOOPVWJDA-UHFFFAOYSA-N 278.396 3.598 30 20 CHED c1ccc(-c2noc(NN=C3CCCC34CCC4)n2)cc1 834952058 KLIBPQNZXAVAAI-UHFFFAOYSA-N 282.347 3.859 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1c(F)cccc1Cl 834998535 VDUGHJSFIOCQHN-SSDOTTSWSA-N 282.668 3.744 30 20 CHED CC(C)(C)c1cc(Sc2cccc(C#N)c2)ncn1 596160199 ASSLSWLYOVRBDU-UHFFFAOYSA-N 269.373 3.797 30 20 CHED CC(CCc1ccc(F)cc1)=NN[C@H](C)C(F)(F)F 834996976 XLHRRYMXUNMPEZ-SNVBAGLBSA-N 276.277 3.675 30 20 CHED C#CCC[C@@H](C)OC(=O)c1nc(-c2ccco2)sc1C 839035189 UIFFBYUICSAFLF-SNVBAGLBSA-N 289.356 3.670 30 20 CHED CC(C)Oc1ccc(C=NNc2ccc(C#N)cc2)cc1 915962361 PRYKSGOPMJKCJZ-UHFFFAOYSA-N 279.343 3.791 30 20 CHED N#C[C@H](c1ccccc1)N1CCC[C@@H](Nc2ccccc2)C1 595383895 PZFMBNNLEHRDFH-RTBURBONSA-N 291.398 3.828 30 20 CHED C[C@H](C#N)N(CCc1ccc2ccccc2c1)C1CC1 595720474 IGJYVELCLWIXCR-CQSZACIVSA-N 264.372 3.759 30 20 CHED C=C(CNC(=O)Nc1ccccc1OCC)c1ccccc1 672600633 YNOFPEBPWJBWAU-UHFFFAOYSA-N 296.370 3.920 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cnc3ccsc3c2)c1 741919138 AYGVKFFBAMLGBH-UHFFFAOYSA-N 292.363 3.554 30 20 CHED C/C(=C\C(=O)N[C@](C)(C#N)CC(C)C)c1ccc(F)cc1 749615277 MDGQPPGZQSSRTK-VEMDQMBVSA-N 288.366 3.674 30 20 CHED COc1ccc(CNN=C(C)[C@@H](C)c2ccccc2)cc1 746369674 ZOSNLAXCEFRHKI-CQSZACIVSA-N 282.387 3.964 30 20 CHED C=CCCOCc1nc(C23CC4CC(CC(C4)C2)C3)no1 598524267 WFBBYICMCUUVLB-UHFFFAOYSA-N 288.391 3.630 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccnc1Cl 841893794 JMLOIVJTIKBKEZ-MRXNPFEDSA-N 297.789 3.774 30 20 CHED CCCCCCO[C@H](C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 841255882 POXHQUPVGWBANO-KFWWJZLASA-N 281.396 3.597 30 20 CHED CCC[C@]1(C)CCCN(Cc2ccc(OCC#N)cc2)C1 743872291 MIZQVUWJSVBENY-GOSISDBHSA-N 286.419 3.991 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(CC#N)c1 596925149 CJBGINMMJUKTPA-SFESLNEESA-N 283.375 3.547 30 20 CHED CCOc1cccc([C@@H](C)/N=C/c2cccc(O)c2O)c1 745012610 NFJRDYQQEQCGQD-MBNTZHJCSA-N 285.343 3.677 30 20 CHED C=C(CNC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 672617665 WDEDKQNMRXNKDN-UHFFFAOYSA-N 288.297 3.800 30 20 CHED CC(C)CN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C(C)C 593959370 AWNMBDUFAKZSPL-OAHLLOKOSA-N 286.419 3.630 30 20 CHED CC1(C#N)CCC(N[C@@H]2CC[C@@H]2c2ccccc2)CC1 594995442 QJJAKNRMYWBOPE-QLOLRVAOSA-N 268.404 3.995 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1ccc(Cl)s1 747849069 VBCWPPWTWWVYLG-KRWDZBQOSA-N 289.853 3.980 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2csc(C)c2C)n1 598856855 FXZHCUDEVBVOAS-UHFFFAOYSA-N 285.372 3.501 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1ccnn1CC(C)C)C2 843274326 WNEPDVNIBOIRFJ-XNTDXEJSSA-N 280.371 3.670 30 20 CHED C=CCC(C)(C)C(=O)O[C@H]1C[C@H](C)C(=O)C(C)(C)C1 847943852 SVQNQPZYTFCHJM-RYUDHWBXSA-N 266.381 3.526 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C(C)=C\c1cccc(Cl)c1 847170581 ZYNUSYNSEOWJML-MSKHEQNASA-N 276.767 3.504 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(Cl)c(SC)c1 844704407 IQVLNLOINJLHKU-QMMMGPOBSA-N 286.784 3.690 30 20 CHED C[C@@H](OC(=O)c1cccc(C2CC2)c1)C(C)(C)C#N 847667954 PKRBKWJDCHRBTR-LLVKDONJSA-N 257.333 3.659 30 20 CHED Fc1ccc(F)c(C=NNCc2ccccc2Cl)c1 918152894 MJKSOSQPPVWWQY-UHFFFAOYSA-N 280.705 3.742 30 20 CHED N#CC1CN(C(=O)c2cc3sc4ccccc4c3s2)C1 590484844 MVLPTROUYIZCQL-UHFFFAOYSA-N 298.392 3.712 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccc(F)cc1)C(C)C 918155937 UQPBRHBDOFICCY-CYBMUJFWSA-N 263.356 3.742 30 20 CHED CC(C)c1ccc2ncnc(SCCC#N)c2c1 596269613 VKYMWXYETOMQED-UHFFFAOYSA-N 257.362 3.759 30 20 CHED C[C@H](OC(=O)Cc1cccc(C2CC2)c1)C(C)(C)C#N 842325591 RGMNRKOKRLPLGC-LBPRGKRZSA-N 271.360 3.588 30 20 CHED CCO[C@@H]1CC(=NOCc2cccnc2)C1(CC)CC 746585358 DBIWWSMYYBEOHM-OAHLLOKOSA-N 276.380 3.569 30 20 CHED Cc1ccc(NN=C2CCc3ccccc3C2)cc1 745843447 JFLNITRMYIYGLJ-UHFFFAOYSA-N 250.345 3.952 30 20 CHED N#CCC1CCN(C(=O)CC(C2CCC2)C2CCC2)CC1 599744728 UZIXLORJHXDAME-UHFFFAOYSA-N 288.435 3.745 30 20 CHED CC[C@H](N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(C#N)cc1 594520929 RQGOVEJYWCUFTB-IPMKNSEASA-N 297.446 3.616 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCCC1(O)CCC1 594705923 QISLXJDLBJNTKD-ZDUSSCGKSA-N 290.432 3.655 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1scnc1C 915109632 BXHIFIRDKLDHKO-UHFFFAOYSA-N 265.769 3.941 30 20 CHED CN(C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1ccccc1C#N 598817797 BSHYOFHHAYFRAW-QLPKVWCKSA-N 282.387 3.737 30 20 CHED C/C(C=Nn1c(S)nnc1C(C)C)=C/c1ccccc1 916312810 PXIVPPQYYUSQBN-CPIOIWEKSA-N 286.404 3.628 30 20 CHED CCO[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 590780320 JVDCKLCWWDMZFF-GUDVDZBRSA-N 298.430 3.873 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@H]1NCc1ccc(C#N)c(F)c1 595052157 QZQRDJFGUJPQSE-IJEWVQPXSA-N 272.367 3.612 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 593407344 RMDXTAMZYYQQKO-HOCLYGCPSA-N 299.418 3.549 30 20 CHED Cc1sc(NC(=O)c2sccc2C#N)nc1C(C)C 597895303 VQWCSFVAYJARMZ-UHFFFAOYSA-N 291.401 3.760 30 20 CHED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccsc1 597625713 KNIHAOCATXPCLY-LBPRGKRZSA-N 276.405 3.789 30 20 CHED CC(C)CC(=NOC[C@H]1CCOC1)c1ccc(F)cc1 844591483 LDQOFXOBKZWUAN-ZDUSSCGKSA-N 279.355 3.629 30 20 CHED CC(C)(C#N)C[C@H](O)CN1CCC[C@H](C2CCCCC2)C1 598629167 YKLQKBAKRRJDDY-IRXDYDNUSA-N 292.467 3.579 30 20 CHED C[C@H](CN1CCC(CC#N)CC1)c1cc(F)cc(F)c1 590648962 KCMQYOKFYXNQTK-GFCCVEGCSA-N 278.346 3.694 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H](C)c1ccc(Cl)cc1 845311425 XRVUZGLIRPKIAA-ZDUSSCGKSA-N 292.810 3.842 30 20 CHED C[C@@H]1/C(=C\c2cc(C#N)cs2)C(=O)c2c(O)ccc(F)c21 748440143 IMTAYESCSRDHME-ITXLNXHTSA-N 299.326 3.848 30 20 CHED CCC(=NNc1c(C)cc(C)cc1C)c1cnn(C)c1 743445264 MENDWIRHZPMQKE-UHFFFAOYSA-N 270.380 3.572 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CCc2cc(F)ccc21 920177302 FVVLFNLZTYZNLG-SMLKNPDNSA-N 285.318 3.646 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 683788270 KTSMBWJEHVFECO-QLFBSQMISA-N 261.409 3.792 30 20 CHED CC(=NOCc1oc(C)nc1C)c1cc2ccccc2o1 853643825 RCFBTBGYXCHVNS-UHFFFAOYSA-N 284.315 3.978 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccccc1Cl 755818861 USZMFEAGMXYYDI-CYBMUJFWSA-N 253.729 3.607 30 20 CHED O=[N+]([O-])c1cccc(C/N=C\c2cc(Cl)ccc2O)c1 921260735 FDJKEUKMWFDIAB-SXGWCWSVSA-N 290.706 3.573 30 20 CHED COc1ccc(CC[C@H](C)/N=C/c2ccccc2O)cc1 921260906 IBUYUMKFCRJUET-ITRAFESCSA-N 283.371 3.841 30 20 CHED Fc1cccc(NN=Cc2cccc3[nH]ccc23)c1 755662966 RXVIOVCSGQUDMF-UHFFFAOYSA-N 253.280 3.753 30 20 CHED COC1(C(C)=NNc2nccc3sccc23)CCC1 853294218 HXTUNDJLZFGVBD-UHFFFAOYSA-N 275.377 3.653 30 20 CHED CCCCCC=Nn1c(S)nnc1Cc1ccccc1 853437700 GWONXYHKQAJHBQ-UHFFFAOYSA-N 288.420 3.572 30 20 CHED CCOC(=O)[C@@H]1CCC(=NOCc2ccccc2)C[C@H]1C 758098241 QAFDMNJRZUKMGQ-CZUORRHYSA-N 289.375 3.559 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@](C)(CC)C1)c1ccccc1 757059633 TYRGEQZCPYLNFU-WMZOPIPTSA-N 284.403 3.583 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@H]1C[C@H]2CC[C@H]1O2 851143712 NGPXXGDWBSLCRR-DGXTUMSLSA-N 278.392 3.622 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2cc(C)on2)cc1 752879710 WXZHEMISRWMFPW-FPLPWBNLSA-N 293.326 3.578 30 20 CHED C=CCN(C(=O)c1scnc1C1CCCC1)C(C)C 758934488 GFIGXNQYEVLJKJ-UHFFFAOYSA-N 278.421 3.837 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](OC(=O)c2cc(C#N)cs2)C1 752185175 KMNJXXAFOJPKKT-IAZYJMLFSA-N 263.362 3.601 30 20 CHED C=CCCCCCCCCN[C@H]1C[C@@H](C)n2ncnc21 926426658 LRFPIUNYBSUSDQ-CABCVRRESA-N 276.428 3.790 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccc(C(C)(C)C)cc1 921146425 YGXJWHIHXOGYID-CYBMUJFWSA-N 276.376 3.871 30 20 CHED COC1(C(C)=NNc2cccc(Cl)c2)CCC1 853259017 LWRAZLLTRVIAFP-UHFFFAOYSA-N 252.745 3.697 30 20 CHED CC(C)[C@H]1CCCCC1=Nn1cc(Br)cn1 752748253 UPTSDGBMZYDQJP-LLVKDONJSA-N 284.201 3.696 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)CCc1ccccc1)OCC 756479695 KMJKMTGOXGBBCC-WBVHZDCISA-N 290.403 3.922 30 20 CHED C=CCCONC(=O)c1ccc(Cl)cc1SCC 856033177 AJJSKBNLYMDTMU-UHFFFAOYSA-N 285.796 3.690 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(Cl)c(F)c1 851208445 VHBDJHYKNJEVEZ-SECBINFHSA-N 283.730 3.964 30 20 CHED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 751972011 MBEVBVVWXLKDBX-LSDHHAIUSA-N 286.375 3.693 30 20 CHED Cc1cc(=NCc2c(Cl)cccc2Cl)c(C#N)c[nH]1 696878210 OVUYIXTWFFKNEH-UHFFFAOYSA-N 292.169 3.603 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3coc(C(C)C)n3)cnc12 752891773 UTLAWGIODTWNJN-SREVYHEPSA-N 295.342 3.650 30 20 CHED CC(=NNc1ccc(C(F)(F)F)nn1)c1cc(C)oc1C 754709019 HWESBOWJOWFAEO-UHFFFAOYSA-N 298.268 3.541 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccccc1F 761884633 JFHYYYHDSOKMRU-UHFFFAOYSA-N 276.286 3.810 30 20 CHED Cc1cc(F)ccc1NN=C1CCCc2scnc21 863104225 XYEWHYAPHCSWOE-UHFFFAOYSA-N 275.352 3.743 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1cccc2cccnc12 935794810 SNPPUCDIRVDTMX-CYBMUJFWSA-N 268.360 3.800 30 20 CHED CCCCCON=C1CCN(C(=O)C(CC)CC)CC1 766741063 BMOKNKCFQUTTHW-UHFFFAOYSA-N 282.428 3.608 30 20 CHED CC#CCCCC(=O)OCc1ncc(-c2ccc(C)cc2)o1 767668149 UYHYUBAQDPEWRG-UHFFFAOYSA-N 297.354 3.887 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)OC1CCCCC1 867203870 ZGVPWXRCERHYJU-MRXNPFEDSA-N 284.359 3.604 30 20 CHED Fc1ccc([C@H]2CCCC2=NNCC(F)(F)F)cc1 769808359 NHTBBXTUNUDCJP-LLVKDONJSA-N 274.261 3.601 30 20 CHED COc1cc(F)ccc1NN=Cc1cccc2[nH]ccc12 761885775 ZVWXSMUSQKWNIB-UHFFFAOYSA-N 283.306 3.762 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(Cl)cc1Cl 767050053 YCMZFUMWXZYSGE-UHFFFAOYSA-N 271.143 3.948 30 20 CHED C=CCCCCOC(=O)c1c(C(F)F)nc2n1CCCC2 869844090 JOBKGIJRWIZWHV-UHFFFAOYSA-N 298.333 3.670 30 20 CHED CCN(CC#N)C(=O)/C(C)=C/c1c(Cl)cccc1Cl 766444383 AXRSPVHFPDJQKJ-MDZDMXLPSA-N 297.185 3.769 30 20 CHED CCOc1cccc(C=NNc2nc3ccccc3s2)n1 763104363 LYGDGKVQVOEUKH-UHFFFAOYSA-N 298.371 3.536 30 20 CHED CCCCCCCCOC(=O)c1nccn2cc(C)nc12 763597880 XQNQZZPGTPFEAS-UHFFFAOYSA-N 289.379 3.555 30 20 CHED C#CCCN1CCC[C@@H]1c1ccccc1C(F)(F)F 760831654 RECYUUGUIOVBFW-CQSZACIVSA-N 267.294 3.866 30 20 CHED N#CCc1cccc(OC(=O)OC2CCCCC2)c1 867184787 AQAURPYMUKTADT-UHFFFAOYSA-N 259.305 3.601 30 20 CHED CCCCNN=Cc1ccc(Sc2ccccn2)o1 766451017 RQEQSLPGDUSDDU-UHFFFAOYSA-N 275.377 3.549 30 20 CHED C#CC[C@H](NC(=O)C[C@H]1CCC[C@H]1C)c1ccccc1 769454064 UISWSCQVHIWBAL-OIISXLGYSA-N 269.388 3.694 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C)Cc2ccco2)cc1 764774067 LJZBIZCSXHLJKJ-HUUCEWRRSA-N 283.371 3.573 30 20 CHED CC(C)Oc1ccc(N[C@H](C)C[C@@H]2CCOC2)cc1C#N 768518938 JIBSWXWITVBMDV-KGLIPLIRSA-N 288.391 3.572 30 20 CHED CC(CCCCO)=NOCc1ccc(C(F)(F)F)cc1 766718136 YMWCREYETRLUAU-UHFFFAOYSA-N 289.297 3.761 30 20 CHED C=CCCC(=O)COC(=O)CCSc1ccc(C)cc1 761351807 TYQKJNHGGUMGNM-UHFFFAOYSA-N 292.400 3.556 30 20 CHED CCn1cc(C=NNc2c(Cl)cccc2Cl)cn1 763180794 VOLAIUOFHFZFOJ-UHFFFAOYSA-N 283.162 3.656 30 20 CHED C#CCCCN(Cc1cccc(F)c1)C1CCCC1 766913148 DVJUWECLVNJTMU-UHFFFAOYSA-N 259.368 3.984 30 20 CHED Cc1cc(OC(=O)c2sc(Cl)nc2C)ccc1C#N 765112503 DQVXWQJBSSWQPO-UHFFFAOYSA-N 292.747 3.504 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1ccccn1 766687535 GIQIETGVUKBRPK-LBPRGKRZSA-N 251.333 3.713 30 20 CHED C=CCCc1noc(C(F)(F)c2ccccc2C)n1 1117779683 VUYGKCRZQVTKCA-UHFFFAOYSA-N 264.275 3.637 30 20 CHED Cn1cc(/C=C2/CCc3c(sc4ccccc34)C2=O)cn1 763100952 KHWBCDJDEKSRDA-WQLSENKSSA-N 294.379 3.847 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1cc(C#N)ccc1F 761494123 OTKMQHZBWFYDBP-LLVKDONJSA-N 277.339 3.813 30 20 CHED CC#CCCCC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 767090848 GIVIUMXAAGBGHF-INIZCTEOSA-N 297.398 3.743 30 20 CHED CC(C)c1nc(C=NOC(C)(C)C)c2ccccn12 1116408372 AVQVMKHHJWUWAW-UHFFFAOYSA-N 259.353 3.607 30 20 CHED Cn1ccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)n1 773145157 PINKPVYNDUCXJR-HYXAFXHYSA-N 281.142 3.623 30 20 CHED C[C@@H](OC(=O)c1c[nH]c(C#N)c1)c1ccc(F)cc1Cl 779206962 VSCDZLRKKCUKFB-MRVPVSSYSA-N 292.697 3.597 30 20 CHED C(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1cnc(C2CCC2)s1 774608622 RVTMFQBIVSWOSB-JKOKRWQUSA-N 275.421 3.523 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1/C=C\c1ccccc1 779733079 VSVPYTCEUXCLKR-SNGWPZLWSA-N 286.444 3.615 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccc(F)cn1)c1ccncc1 771392327 VXJSKHQAQOKKLY-LRDDRELGSA-N 271.339 3.584 30 20 CHED C#CCOc1cccc(NC(=O)[C@@H](C)c2cccc(C)c2)c1 1116114046 CCXWQGNNBHTZFL-HNNXBMFYSA-N 293.366 3.749 30 20 CHED CCOc1ccc(C(C)=NNc2cc(Cl)ccn2)cc1 777907434 UQBKNSCNVWYGLL-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CCC(=NNc1nc2ccccc2cc1C)c1cnn(C)c1 776783528 VKYZVACMZVAKQY-UHFFFAOYSA-N 293.374 3.503 30 20 CHED C=C1CCC(C(=O)N[C@](C)(C2CC2)C(F)(F)F)CC1 889291672 MDKKQUDPWYIUBW-CYBMUJFWSA-N 275.314 3.580 30 20 CHED N#CC1(CN2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC1 775976671 WALMLDDXLUWBLS-ZWKOTPCHSA-N 298.430 3.658 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1nc2ccccc2s1 777468870 YOQNSHJCLPQOFO-ALCCZGGFSA-N 284.315 3.727 30 20 CHED CC(=NNc1cccc2cnccc12)c1cnccc1C 771559626 ILWFBGNITCKNHQ-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CCn1nccc1C=NNc1ccc(C(C)(C)C)cc1 779824940 KPKLBLLZJBBRLG-UHFFFAOYSA-N 270.380 3.647 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 788711550 CLYNXYXJQGIZAU-UHFFFAOYSA-N 298.293 3.603 30 20 CHED C#CCC1(C(=O)NCC23CCC(CC2)C3)CCCCC1 788233711 BCCNEVYFELUPBI-UHFFFAOYSA-N 273.420 3.657 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CCC(C)(C)C2)o1 783837397 JQLSZAAIIGXFAF-UHFFFAOYSA-N 274.368 3.723 30 20 CHED CC(C)(C)CCNN=Cc1cc(Cl)ccc1F 782908200 RGYUNXRFOGTTFZ-UHFFFAOYSA-N 256.752 3.839 30 20 CHED Cc1c([C@@H](C)NCc2ccc(C#N)cc2)cnn1C(C)(C)C 786896774 DWLQZRWQTDQOAE-CYBMUJFWSA-N 296.418 3.669 30 20 CHED C=CCN(Cc1ccc(Cl)nc1)c1ccccc1 789573110 XZZLUDNZKLBJRG-UHFFFAOYSA-N 258.752 3.928 30 20 CHED C[C@@H](Cc1cccc(F)c1)N[C@H]1CCc2cc(C#N)ccc21 787028126 UBQYVFROTQBCCJ-DJJJIMSYSA-N 294.373 3.905 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)[C@H](C)c1ccccc1 780252123 GLMBGXDLOSDIBP-BBRMVZONSA-N 274.408 3.713 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 782723217 YQIUBUCCAWAQPW-JYJNAYRXSA-N 261.409 3.607 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccc(F)cc1Cl 1460272293 RQJOXSHECSXQSP-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H]2c2ccccc2)CC1 895722382 CMKQUZPKWHUQOD-MRXNPFEDSA-N 255.361 3.706 30 20 CHED C#CCN(C(=O)NC1CCC2(CCCCC2)CC1)C1CC1 786864050 WFLKVAQARHUHEP-UHFFFAOYSA-N 288.435 3.687 30 20 CHED CC(C)(C)CCCOC(=O)C1(C#N)CCCCC1 781169639 UPCJABICWSHPAQ-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C=CC(C)(C)CC(=O)N(CCCC)c1ccncc1 893139213 XWRAMMMLPUBZRI-UHFFFAOYSA-N 260.381 3.817 30 20 CHED COc1ccc(NN=C[C@H](C)CCc2ccccc2)nc1 780277141 VUVYNECZYYWXTF-CQSZACIVSA-N 283.375 3.757 30 20 CHED COC(=O)CCc1cccc(N[C@H](C)CC(C)(C)C#N)c1 893926399 SBDJCEPWBHTMKD-CYBMUJFWSA-N 288.391 3.532 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1c(Cl)nc2ccccn12 793114080 JBZHXLFWRMAZDB-NSHDSACASA-N 292.814 3.736 30 20 CHED C=CCc1ccc(OC(=O)C[C@H](C)CC)c(OC)c1 791770599 YFNVQVCACAILIA-GFCCVEGCSA-N 262.349 3.765 30 20 CHED CC(C)C[C@@H]1CCCC(=NNc2ccnc(N(C)C)n2)C1 794514009 GCFCVGDSPDCZOR-ZDUSSCGKSA-N 289.427 3.547 30 20 CHED Cc1ccc(-c2nc(C=NNc3ncccc3F)co2)cc1 794982756 AGXLNWHUNAKQPZ-UHFFFAOYSA-N 296.305 3.630 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@H](C)c1ccsc1 799442313 GLDDJKYWWCGUGK-LLVKDONJSA-N 285.368 3.891 30 20 CHED COc1ccc2ccccc2c1C=NNc1ncccc1F 794992800 DPQGWMXNMKWFMB-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C=CCN(Cc1coc(-c2cccs2)n1)C1CC1 271547573 ZWHDYCPKEOBREP-UHFFFAOYSA-N 260.362 3.554 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)C1CCCCC1 798038001 RPOFFHPOOQZORY-GDBMZVCRSA-N 293.451 3.690 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnc(Cl)c(C)c1 799221039 RQHWYLTURINIEU-JTQLQIEISA-N 267.760 3.520 30 20 CHED FCC[C@H]1CCCC1=NNc1cccc(Cl)n1 793181245 NLZKTKOJQXOBGI-SECBINFHSA-N 255.724 3.663 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C[C@H]1CCc2ccccc21 790307054 SUYUMSVMZSTILP-GFCCVEGCSA-N 299.305 3.862 30 20 CHED CC(=O)c1c(Cl)cccc1N1CCC(C)(C#N)CC1 641484232 LPOVVCRUIYWDQW-UHFFFAOYSA-N 276.767 3.673 30 20 CHED FC(F)C1CCC(=NN[C@H]2C[C@H]3CC[C@H]2C3)CC1 799484453 DIOMLKASGBXYON-KIHYYIAASA-N 256.340 3.576 30 20 CHED Oc1ccccc1/C=N/[C@H]1C[C@H](c2ccccc2)C1 797785027 RDMMWKXMPCUKCW-ZCXOWWACSA-N 251.329 3.757 30 20 CHED Cc1ccc(/C=C2/COc3cc(F)ccc3C2=O)cc1 794728471 QTAKRCLDBLRXTE-JYRVWZFOSA-N 268.287 3.793 30 20 CHED COCC[C@@H]1CCCC1=NN[C@H]1CCCCC1(C)C 799887186 PZIAOXPWEULRFC-ZFWWWQNUSA-N 266.429 3.737 30 20 CHED CC[C@@H](CC#N)NC(=O)C1CC(C)(C)CC(C)(C)C1 597507012 FXRMFWWRLQOHJK-ZDUSSCGKSA-N 264.413 3.647 30 20 CHED C=CC[C@H](CC)NCc1ccc(Br)cc1O 691486395 GKDSGPPFVDZFNV-LBPRGKRZSA-N 284.197 3.599 30 20 CHED COc1ccc(CN(C)[C@@H]2CCC[C@H](C)C2)cc1C#N 87833250 WBRWNNYCWZRSNH-XJKSGUPXSA-N 272.392 3.577 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(C)nc(Cl)c1 797605997 XCVMIDKHBZZKFN-ZDUSSCGKSA-N 250.773 3.584 30 20 CHED CC(=NNc1ccn(C)n1)c1cccc(Cl)c1Cl 1320695061 AAKOEPRNEHSPST-UHFFFAOYSA-N 283.162 3.563 30 20 CHED CCc1nocc1/C=C1/COc2c(C)ccc(C)c2C1=O 1324543426 UQUAWXOSNKVVRE-QPEQYQDCSA-N 283.327 3.513 30 20 CHED O=C(C#CC1CC1)Nc1ccc(SC(F)(F)F)cc1 1324970228 LWIRXFPXAWXWMH-UHFFFAOYSA-N 285.290 3.650 30 20 CHED N#Cc1cc(Cl)ccc1SCCn1cc(Cl)cn1 1188870189 MYKWCRGSFPFWQM-UHFFFAOYSA-N 298.198 3.854 30 20 CHED Cc1cc(CNCc2cccc(OCC#N)c2)c(C)s1 1323876049 JJIWFHBYIJFSNI-UHFFFAOYSA-N 286.400 3.557 30 20 CHED C#CC[C@H](NC(=O)N(C)CCC(C)(C)C)c1ccccc1 1328134827 NYYNZDHSOKCZCH-INIZCTEOSA-N 286.419 3.829 30 20 CHED C#CCOc1ccc(CNc2ccc(COCC)cc2)cc1 1339603692 DPIPIQBNBJBCLT-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C=C(C)CCC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 1337743452 KWNGGNODDTZCJI-GFCCVEGCSA-N 289.375 3.704 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 1335907935 XAQMIXSAZKLEQA-GOEBONIOSA-N 275.367 3.934 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1CCC[C@H](OC)C1 1337550893 LWKAIZNBFUAPIG-OAGGEKHMSA-N 279.424 3.539 30 20 CHED N#CCC1(OC(=O)c2cc(-c3ccccc3)ccn2)CCC1 1263487171 CDJPOEFHMLOZJO-UHFFFAOYSA-N 292.338 3.742 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)c1ccco1)c1cccs1 1345106767 XBMOFXQJMXKURM-MFKMUULPSA-N 275.329 3.789 30 20 CHED C=C[C@H](CC)CC(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 1347944921 LCBNJNLXMAQSMJ-BXUZGUMPSA-N 293.313 3.545 30 20 CHED C=C(CC)C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 1348582315 WDCDNCMCDFTQNO-UHFFFAOYSA-N 290.363 3.796 30 20 CHED O=C(O)c1cc(NN=C2CCCCC2(F)F)ccc1F 1776064655 XTJRWBBPFLUYPH-UHFFFAOYSA-N 286.253 3.501 30 20 CHED Cc1cc(NCC[C@@H](C)c2ccccc2)ncc1C#N 1458344563 GWMABMMAWORVBW-CYBMUJFWSA-N 265.360 3.867 30 20 CHED C=C(C)Cn1c([C@@H]2CC=CCC2)nnc1N1CC[C@@H]2C[C@@H]2C1 1524068286 ROVRZMVPOIITMG-BZUAXINKSA-N 298.434 3.524 30 20 CHED N#CC[C@@H](OC(=O)C1CCCCCC1)c1ccco1 1526991323 ADCLHBJERZTWCX-CQSZACIVSA-N 261.321 3.748 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CCCc2cccnc21 1521160736 ZKDIHJKQLWNOJW-HZPDHXFCSA-N 299.418 3.599 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(C(=O)O)cc1Cl 1602836321 MFNVFEUODMKNEY-UHFFFAOYSA-N 282.723 3.546 30 20 CHED CN(c1ccc(C#N)cn1)[C@H]1CCC[C@@H]1C(C)(C)C 1612504836 KSOBXKLSVQZRAU-KBPBESRZSA-N 257.381 3.604 30 20 CHED N#Cc1ccnc(CN(CC2CCC2)c2ccccc2)c1 1616003079 LOCZKRFFPPBMOK-UHFFFAOYSA-N 277.371 3.760 30 20 CHED COc1cccc(CCNc2cc(Cl)ccc2C#N)c1 227649492 HEAHYQNDSGHOJT-UHFFFAOYSA-N 286.762 3.875 30 20 CHED CN(Cc1ccccc1F)C(=O)Nc1cccc(CC#N)c1 1624873848 ZEHBZDVYFQUTGJ-UHFFFAOYSA-N 297.333 3.556 30 20 CHED N#Cc1c(F)cccc1CNCc1ccc2occc2c1 1621431388 LDDSZCDTBCSYBD-UHFFFAOYSA-N 280.302 3.733 30 20 CHED CC(C)[C@H]1CN(c2cccc(F)c2C#N)[C@H]1C(C)C 1639909221 SYUVQGXJBZWJOB-CJNGLKHVSA-N 260.356 3.814 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)Nc1ccc(C#N)c(F)c1 1562909591 UFAZYNGICLOSJN-ZETOZRRWSA-N 289.354 3.644 30 20 CHED Cc1ccc(C#N)c(S[C@@H]2CCOc3ccccc32)n1 1639614807 YXMMFFQDOLKRMX-OAHLLOKOSA-N 282.368 3.878 30 20 CHED N#Cc1ccnc(CN2CCC[C@H]2CCC2CCCC2)c1 1642285172 KVOWDYGIPQEJRF-SFHVURJKSA-N 283.419 3.888 30 20 CHED N#CCOc1ccc(Cl)cc1CN1C[C@H]2CCCC[C@H]21 1646924421 YSRAMJVSLAHAFX-IUODEOHRSA-N 290.794 3.617 30 20 CHED Cc1nc(NC[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1C#N 1651020316 ZXCDKDRXIFDKJU-JMSVASOKSA-N 257.381 3.746 30 20 CHED CC[C@@H](C)Oc1cccc(NCc2cc(C#N)cs2)n1 1657856314 YHQNOJJJVZXAPC-LLVKDONJSA-N 287.388 3.804 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1 1585047354 VXPNMKXLUUMFLO-NVXWUHKLSA-N 284.403 3.895 30 20 CHED CCCN(CCc1cccc(F)c1)c1cc(C)c(C#N)cn1 1651511238 HBBBBDQXZSJIBL-UHFFFAOYSA-N 297.377 3.860 30 20 CHED C=CCCCCCN[C@@](C)(Cc1ccc(F)cc1)C(=O)O 1588799825 KOPNXBBLQYDRSU-KRWDZBQOSA-N 293.382 3.548 30 20 CHED C=CCC1(CNc2ncc(C(=O)O)cc2Cl)CCCC1 1588767200 OTOFVIKVFVYKTG-UHFFFAOYSA-N 294.782 3.982 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)Nc2sccc2C#N)c1 1663160182 XDNQJYOZMYUXEZ-LBPRGKRZSA-N 299.399 3.853 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2sccc2C#N)C1 1671449270 DDFWBWQNXZOBOO-CMPLNLGQSA-N 277.393 3.710 30 20 CHED Cc1c(NN=C2CC[C@H](C(C)C)C2)cccc1C(=O)O 1776088382 ILHUEDHQFPBLAD-LBPRGKRZSA-N 274.364 3.917 30 20 CHED O=C(O)c1cccc(NN=C2CC[C@@H](C(F)(F)F)C2)c1 1776038490 MLERMORPCKJLHV-SECBINFHSA-N 286.253 3.515 30 20 CHED Cc1cc(C)c(CC(=O)Nc2ccccc2C#N)c(C)c1 12069997 XKUFSAFRUPJEOR-UHFFFAOYSA-N 278.355 3.665 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)C=C1CCC1 150921753 CAJVPZZJCQJLPS-LBPRGKRZSA-N 286.400 3.987 30 20 CHED CC(C)C[C@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 160880088 GPJFBUWQUFHSRL-HOCLYGCPSA-N 287.407 3.765 30 20 CHED COc1cccc2c1C/C(=C/c1cccs1)C2=O 165387524 UTGMOAUNVKYUBB-NTMALXAHSA-N 256.326 3.579 30 20 CHED CC#CCS[C@H](C)c1nc(-c2ccccc2)no1 166761638 SLRAIYIJSZYDPK-LLVKDONJSA-N 258.346 3.554 30 20 CHED C[C@H]1/C(=C\c2ccsc2)C(=O)c2c(O)ccc(F)c21 7333214 UDSNDMCCOYHLJM-QMEHYBMDSA-N 274.316 3.976 30 20 CHED N#Cc1ccsc1NC(=O)c1coc(-c2ccccc2)n1 151141091 DOMKVQBKHNDVKU-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C#CCOc1ccc(CNC2(c3cccc(F)c3)CC2)cc1 152852850 KICQYFDZDKPMTR-UHFFFAOYSA-N 295.357 3.617 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(F)cc(C(F)(F)F)c1 155304667 GHAVFODGYQOVLE-QMMMGPOBSA-N 275.245 3.539 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1c1ccccc1Cl 156506082 FYYCJAQVYHUTAK-AWEZNQCLSA-N 278.783 3.763 30 20 CHED Cc1ccccc1NC(=O)/C=C\c1ccccc1C#N 209108635 RTRFYNZGKOZUTF-KHPPLWFESA-N 262.312 3.519 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1cccc(O)c1 209183172 XHSWUNIASMYWHS-DAXSKMNVSA-N 260.239 3.567 30 20 CHED N#Cc1cccc(NCc2ccc3ncccc3c2)c1 20248189 CVPWFRDBPPKUCU-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C#Cc1ccc(CNC2CCC(CSC)CC2)cc1 824649314 CLGIDGXWVQOFHU-UHFFFAOYSA-N 273.445 3.679 30 20 CHED CC[C@H](CSC)Nc1nc(C(F)(F)F)ccc1C#N 128472166 XGQSOZLPTLBUKT-SECBINFHSA-N 289.326 3.526 30 20 CHED C[C@@H](NCCc1ccc(F)cc1)c1ccc(C#N)cc1 19904061 YKACGPFKGSZBHA-CYBMUJFWSA-N 268.335 3.591 30 20 CHED CC(C)CSCCN[C@H](C)c1ccc(C#N)cc1 160038609 BROFJNMZRWSLTH-CYBMUJFWSA-N 262.422 3.598 30 20 CHED CC(C)C[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 37255380 CVHZSNDAJWXYFO-KBPBESRZSA-N 260.381 3.674 30 20 CHED Cc1ncc(CN(C)c2ccc(C#N)c(Cl)c2)s1 171853664 DCNXDVZMWKMLAP-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)c1ncccc1C#N 62016660 QQJIELYTVKZQNM-LLVKDONJSA-N 271.751 3.804 30 20 CHED N#Cc1ccc(NCc2cccc([N+](=O)[O-])c2)c(Cl)c1 62791188 YPVXTGHFFMNJMD-UHFFFAOYSA-N 287.706 3.732 30 20 CHED Cc1cc(CNCc2ccc(C#N)c(F)c2)c(C)s1 404820164 CZRDXKLYAZKIOI-UHFFFAOYSA-N 274.364 3.666 30 20 CHED N#Cc1cnc(NCCC2CCCCC2)c(Cl)c1 608885000 AUOZLMOGXDJKNB-UHFFFAOYSA-N 263.772 3.989 30 20 CHED CC(C)N(CCC#N)C(=O)CSc1ccccc1Cl 522961623 MVDZPGLRYMIHJC-UHFFFAOYSA-N 296.823 3.583 30 20 CHED N#CCN(Cc1cc(Cl)ccc1Br)C1CC1 352734643 ZIVSWUDJASIDTJ-UHFFFAOYSA-N 299.599 3.590 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1(CC(C)C)CC1 440718481 RRMCMXRMKXGOOV-UHFFFAOYSA-N 256.349 3.632 30 20 CHED COc1ccc(CNc2nc(C)c(C#N)cc2Cl)cc1 336832726 MWZQNPIVQIYFJJ-UHFFFAOYSA-N 287.750 3.536 30 20 CHED COc1ccc(CNc2snc(C)c2C#N)cc1Cl 342678914 MZULYWMJQUJQAR-UHFFFAOYSA-N 293.779 3.597 30 20 CHED C=CCCC[C@@H](C)NC[C@H](O)c1ccc(Cl)cc1 398207480 YXXYGMVWMUEBAI-DOMZBBRYSA-N 267.800 3.708 30 20 CHED COc1cccc(/C=C/C(=O)c2cccc(F)c2)c1 57435469 APWOOYJBCYFXKR-CMDGGOBGSA-N 256.276 3.730 30 20 CHED Cc1nc(CCNc2ccc(C#N)c(Cl)c2)cs1 225695296 XBVMBLBKDMLXIF-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(-n2cccc2)cc1 52819303 CMSCBYYTJPGGOJ-UHFFFAOYSA-N 268.360 3.516 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2cccnc2C)cc1 176846424 RBUYIIORTZFOFN-FMIVXFBMSA-N 280.371 3.742 30 20 CHED Cc1ccccc1C1(C(=O)Nc2ccc(C#N)cc2)CC1 170699988 MVVHXRZPOSOTGU-UHFFFAOYSA-N 276.339 3.537 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 55862770 ZZCHUYDLWYHXFK-QGZVFWFLSA-N 294.329 3.675 30 20 CHED COc1ccc(SCc2ccc(F)cc2C#N)cc1 102971862 RAVHCMJCPLGFDY-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C#CCCCNC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 172939979 NSVCPRYKNRZPSM-NSHDSACASA-N 298.213 3.702 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(-n2ccnc2)cc1 111250699 IMVXRTBRUODLBG-UHFFFAOYSA-N 296.418 3.634 30 20 CHED CCCN(CC#N)Cc1csc(Nc2ccccc2)n1 118004493 IVVQTIMVOSXBCR-UHFFFAOYSA-N 286.404 3.622 30 20 CHED CCN(CCc1ccccn1)[C@H](C)c1ccc(C#N)cc1 171064789 HRSROSRCOZKFPU-OAHLLOKOSA-N 279.387 3.579 30 20 CHED CN(C)[C@H](CNc1cc(Cl)ccc1C#N)c1ccco1 301211427 VKKBFDQJCTVDRD-CQSZACIVSA-N 289.766 3.519 30 20 CHED N#CCC1(CNC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 404232151 QXVXNNMBPDDAIB-UHFFFAOYSA-N 297.280 3.521 30 20 CHED C[C@H](C(=O)N(CCC#N)CC(C)(C)C)c1cccc(F)c1 173010643 UBGWZTUWVXMJDB-ZDUSSCGKSA-N 290.382 3.718 30 20 CHED N#Cc1ccc(Oc2ccc(Oc3ccccc3)cc2)nn1 301913610 HQTDOILKPJTAQI-UHFFFAOYSA-N 289.294 3.933 30 20 CHED CN(Cc1ccccc1F)c1c(C#N)cnc2ccccc12 301105330 QACGXLIXHDOOAP-UHFFFAOYSA-N 291.329 3.882 30 20 CHED CCS[C@H](C(=O)Nc1cc(C#N)ccc1C)C(C)C 66353722 XVTMHQBQQWSOJH-AWEZNQCLSA-N 276.405 3.583 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCCCCCO 305640144 BAIHBSFHKRGLCS-ZDUSSCGKSA-N 278.421 3.513 30 20 CHED C=C(C)COC(=O)[C@H](OC(C)(C)C)c1ccccc1 178995088 KAVIOSSZAZMPAO-CQSZACIVSA-N 262.349 3.662 30 20 CHED Cc1nc(-c2nc(-c3ccccc3Cl)no2)ccc1C#N 172055284 LKMMVCQISSPTDU-UHFFFAOYSA-N 296.717 3.632 30 20 CHED C[C@H]1CC[C@H](C)N1c1ccc(C#N)cc1Br 301891316 LYVPDKQCTWORNP-UWVGGRQHSA-N 279.181 3.698 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCc2sccc2[C@H]1CC 69353604 OJTFGRBUAKCYGH-TZMCWYRMSA-N 293.432 3.565 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)cc1 114303369 BOKGTMVEQXKNMU-GOSISDBHSA-N 290.366 3.708 30 20 CHED CCOc1ncccc1CNc1cc(Cl)ccc1C#N 301284168 PUFHHNZRMRAFLN-UHFFFAOYSA-N 287.750 3.617 30 20 CHED Cc1ccc(OCCN[C@H](C)c2ccc(C#N)cc2)cc1 118391009 LLKLAWUVFBFEFZ-OAHLLOKOSA-N 280.371 3.596 30 20 CHED CCCN1Cc2cccc(/N=C/c3ccccc3O)c2C1 66255610 ZJXXJZKWKSGYAG-YBFXNURJSA-N 280.371 3.868 30 20 CHED CCC[C@]1(C)CCCN(C(=O)CCc2ccc(C#N)cc2)C1 173655905 LOTJGADYEZBGLR-LJQANCHMSA-N 298.430 3.920 30 20 CHED Cc1ccccc1N/C(N)=N/Cc1ccccc1OC(C)C 170910877 KPAYHUXQWMPDNA-UHFFFAOYSA-N 297.402 3.709 30 20 CHED C#CCCCNC(=O)c1cccc(Oc2ccccc2)c1 172922402 KYUQVCWWGFPHFY-UHFFFAOYSA-N 279.339 3.622 30 20 CHED CC(C)C1(C)CCN(c2ncc(C#N)cc2Cl)CC1 302451520 SGANVXKFKBBAGJ-UHFFFAOYSA-N 277.799 3.869 30 20 CHED C#CCCCCC(=O)N1CCCCC[C@@H]1CC(C)C 120196698 NYCRHKFUGYZIEH-MRXNPFEDSA-N 263.425 3.997 30 20 CHED C=CC[C@H](C(=O)N1CCc2ccccc2C1)c1ccccc1 189362352 MGUZXXGJVUOJCH-IBGZPJMESA-N 291.394 3.931 30 20 CHED N#Cc1cccc(C#N)c1NCC1(c2ccccc2)CC1 302427193 KEIBVJAVLFDBEW-UHFFFAOYSA-N 273.339 3.574 30 20 CHED C[C@H](NCCC[C@H]1CCCCO1)c1cccc(C#N)c1 183993571 JTRGEAIARVTKFW-WMLDXEAASA-N 272.392 3.558 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 183262795 IWMNCGSKIORFQE-NWDGAFQWSA-N 275.396 3.735 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(F)cc1F 120110276 JTMYEDWERWEQNA-JTQLQIEISA-N 290.288 3.826 30 20 CHED Cc1cnc([C@H](NCCCC(C)(C)C#N)C2CC2)s1 185276755 XYBLDMHKSHCEAV-CYBMUJFWSA-N 277.437 3.822 30 20 CHED C=C(C)CNCc1ccc(SC(F)(F)F)cc1 122552934 WIUDTJGICXEQID-UHFFFAOYSA-N 261.312 3.964 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)C(C)C 123136320 JABZQWDRTPMJHM-GDBMZVCRSA-N 259.393 3.582 30 20 CHED CC[C@@H](C)[C@@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 315491175 WZXVEERNKMPEBE-GDBMZVCRSA-N 286.419 3.872 30 20 CHED C=CC[C@@H]1N(C(=O)c2ncccc2Cl)CCCC1(C)C 508072439 GGDQURRRZXEFLJ-ZDUSSCGKSA-N 292.810 3.942 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)CC1CCC1 410966143 KJXJWLQUHBNWEL-UHFFFAOYSA-N 262.740 3.535 30 20 CHED C=C(C)[C@H](NC(=O)CC(C)C)c1ccc(F)c(F)c1 186028742 GCDDQVZLFKHBBY-HNNXBMFYSA-N 267.319 3.744 30 20 CHED COc1cc(C(=O)/C=C\c2c(F)cccc2F)ccc1O 213712783 GVUBAYIFSQHUHZ-VURMDHGXSA-N 290.265 3.575 30 20 CHED C=C(CC)CN1CCC[C@H]1c1cccc2c1OCCO2 358499456 OJUMFIKMHVCWJP-HNNXBMFYSA-N 273.376 3.561 30 20 CHED CC#CCCCC(=O)Nc1ccccc1N(C)C(C)C 508235270 JHXUGDXZSJNOEZ-UHFFFAOYSA-N 272.392 3.663 30 20 CHED CCCCN(C(=O)c1cccc(CC#N)c1)[C@@H](C)CC 78842929 NZDMRLOYKJNYQJ-AWEZNQCLSA-N 272.392 3.793 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl 410684044 MWRWDLKBDBDVCA-RISCZKNCSA-N 295.810 3.744 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCc1c[nH]c2cc(C)ccc12 410825088 FGBQPVCLILNMFC-HNNXBMFYSA-N 297.402 3.560 30 20 CHED CCCC(CCC)C(=O)Nc1ccccc1CC#N 410830436 VMDPSQPBXCTTDA-UHFFFAOYSA-N 258.365 3.908 30 20 CHED CCc1noc(CC)c1CN[C@@H](C)c1ccc(C#N)cc1 124843744 WJXWQXQRSQSRIA-LBPRGKRZSA-N 283.375 3.522 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)Cc1ccc(C(C)(C)C)cc1 410823894 BFYFGCDCQNPASA-INIZCTEOSA-N 286.419 3.677 30 20 CHED C=CCCCC(=O)N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 501221675 MDMHBFRFYBNJRJ-KRWDZBQOSA-N 293.357 3.888 30 20 CHED C=C(C)CCc1noc(Cn2ccc3ccccc32)n1 508623498 AWLZOHROZOCJCV-UHFFFAOYSA-N 267.332 3.581 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(Br)ccc1F 157261678 GQWVKFGSCLEOMN-DTWKUNHWSA-N 272.161 3.813 30 20 CHED C=C(C)CCN1CCN(CCC(=C)C)[C@H]([C@H](C)CC)C1 509034015 SHHGZGUGCSLZRY-MSOLQXFVSA-N 278.484 3.951 30 20 CHED C#CCCCCNC(=O)N(CC)[C@H](C)Cc1ccsc1 187547120 SYLWFSCTNIRPNT-CQSZACIVSA-N 292.448 3.514 30 20 CHED C=C(C)[C@H](NCc1c(C)noc1C)c1ccc(F)c(F)c1 187764876 HKAIKSGWMBENBE-INIZCTEOSA-N 292.329 3.977 30 20 CHED C=C(Cl)CSc1nncn1-c1ccc(C)cc1C 47822004 PXVOVBJRCUEBIX-UHFFFAOYSA-N 279.796 3.729 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ncccc1C(F)(F)F 182600046 HGJUAAVVEUJFMM-SNVBAGLBSA-N 286.297 3.575 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(CC(C)(C)C)c1ccccc1 410735436 JHHOUPDGTUHGNB-CVEARBPZSA-N 287.403 3.657 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2ccco2)cc1 131067095 GAYRNMHJIFQQPX-KBPBESRZSA-N 284.359 3.763 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(N(CC)CC)cc1 410136683 KNIUVFPHOOLPBT-HNNXBMFYSA-N 274.408 3.617 30 20 CHED C=C1CCN(C(=O)CCOc2ccccc2C(C)C)CC1 505829910 HVEKIDZMMXRCPR-UHFFFAOYSA-N 287.403 3.758 30 20 CHED O=C1CCC(/C(O)=N/[C@H]2CCCOc3ccccc32)CC1 329845243 QFVWHYDBBIXJGF-HNNXBMFYSA-N 287.359 3.616 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H]1C 43040675 USLHBNPYSSIHEK-CPUCHLNUSA-N 299.418 3.524 30 20 CHED C=CCOCCN[C@H](C)c1ccc(Cl)cc1Cl 379730220 LRQJTUMNTPGVHJ-SNVBAGLBSA-N 274.191 3.847 30 20 CHED Cc1nc(C)c(N/C(O)=N/[C@H]2CC23CCCCC3)s1 329120869 QDJNTFQTYFWDDJ-NSHDSACASA-N 279.409 3.809 30 20 CHED CCN(CCC#N)Cc1ccc(SC(F)F)cc1 81039520 GHRIUJXIMNVHJV-UHFFFAOYSA-N 270.348 3.737 30 20 CHED C[C@@H](C#N)CNc1nc(-c2ccccc2)c2ccccc2n1 80757650 OAIZRASLEYNKHG-ZDUSSCGKSA-N 288.354 3.868 30 20 CHED C#CC[C@H](C)OC(=O)c1sc(-c2cccs2)nc1C 83785860 WJRZOYQMKAJHEN-VIFPVBQESA-N 291.397 3.749 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1ccc(C#N)cn1 517387278 BEBDDPXIJJESNB-CRAIPNDOSA-N 291.398 3.721 30 20 CHED CC[C@H](C)[C@H](C(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 42449285 AWYBYQQIPSEDNH-ZOBUZTSGSA-N 286.419 3.824 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C[C@H]1CCCOC1 192827911 ISBKCGBQJNZAAE-JKSUJKDBSA-N 283.456 3.916 30 20 CHED N#Cc1c(F)cccc1CN1CCSc2ccccc21 428450943 ZWQSETGUPYPAAS-UHFFFAOYSA-N 284.359 3.810 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 516256399 UTCVHAOUSUJEHE-UTJXIGIESA-N 296.414 3.603 30 20 CHED CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1Cl 334051498 QXTCDLIETJTPIZ-WFASDCNBSA-N 290.794 3.885 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N(C)c1cc(Cl)cc(Cl)c1 334564911 QXWKTTJHQXXOCE-SDBXPKJASA-N 283.158 3.506 30 20 CHED COc1cc(CNCc2coc3ccccc23)ccc1C#N 339406313 FOLQFYPMAIVBIT-UHFFFAOYSA-N 292.338 3.603 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C(/O)c1cc(O)cc([N+](=O)[O-])c1 330756162 GZIXHKOXOQNZJP-YGRLFVJLSA-N 292.335 3.574 30 20 CHED CCc1ocnc1/C(O)=N/[C@@H]1CCCC[C@@H]1CC 330875467 ZSYMYJSFEUTBMK-WDEREUQCSA-N 250.342 3.510 30 20 CHED C=C(Br)CNc1ncnc2sc(CC)cc12 381755793 SDKMIMKAMAEJMA-UHFFFAOYSA-N 298.209 3.574 30 20 CHED C=CCC[C@@H](NCCc1nnc(-c2ccccc2)o1)C1CC1 90658989 MSVBFLVQYPSTNI-MRXNPFEDSA-N 297.402 3.614 30 20 CHED C=C(C)CCNc1cc(C(=O)NC(C)C)ccc1Cl 514969962 QZHFUIHVYYZFKD-UHFFFAOYSA-N 280.799 3.856 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2ncc[nH]2)c1 424640709 IJSLXNQYYLYZBB-UHFFFAOYSA-N 269.348 3.618 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]1C(C)(C)C 614397251 GCNXBKPDKSFMJL-MRXNPFEDSA-N 256.393 3.877 30 20 CHED C=CCc1cc(CN[C@H]2CC[C@@H](C)C2)cc(OC)c1OC 237246484 HVCKCLWMCMAJRW-CJNGLKHVSA-N 289.419 3.711 30 20 CHED Cc1ccc(C)c(N(C)Cc2ccc(C#N)cc2)c1 515744043 WUSAUEBXWZUSEM-UHFFFAOYSA-N 250.345 3.812 30 20 CHED C[C@@H](CC1CCOCC1)N[C@@H](CCC#N)c1ccccc1 90665101 NULWLJLMBJIYQG-YJBOKZPZSA-N 286.419 3.826 30 20 CHED C[C@@H](Nc1cnccc1C#N)c1cc2ccccc2o1 339039774 VQGPCXQHFCISND-LLVKDONJSA-N 263.300 3.873 30 20 CHED N#CCCCOc1cccc(CN(CC2CC2)CC2CC2)c1 93480084 GMTSPHFVTBUSJT-UHFFFAOYSA-N 298.430 3.991 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 339211024 BRZCFKZWSYZKMM-AEGPPILISA-N 298.386 3.722 30 20 CHED N#Cc1cnc(N[C@@H]2CCc3cc(F)ccc32)c(Cl)c1 339134040 CBRIPNWOLIPGSS-CQSZACIVSA-N 287.725 3.845 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(CC#N)cc1 266310810 AFUKMCTVAUNWDQ-STQMWFEESA-N 273.380 3.699 30 20 CHED CCc1ocnc1/C(O)=N/[C@H](C)c1cc(C)oc1C 330869427 WQWSXZCTXBGPAK-SECBINFHSA-N 262.309 3.513 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2cc(C#N)ccc2F)C1 336023617 RMNUJUHZCWVEIL-UGSOOPFHSA-N 295.361 3.675 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(N(C)C)cc2)c1 90214200 GRNOWPDROZBPDU-GHXNOFRVSA-N 281.355 3.657 30 20 CHED CCCCCC(C)(C)CNC[C@H](O)c1ccc(C#N)cc1 94987493 JCQJUSNRYOGDFT-KRWDZBQOSA-N 288.435 3.788 30 20 CHED N#CCc1ccccc1NC(=O)c1sccc1C1CC1 344354558 FGSIPGZVGIRWMS-UHFFFAOYSA-N 282.368 3.944 30 20 CHED CN(Cc1ccccc1C#N)[C@H]1CCc2ccccc2C1 522268124 ZSDZHPYKFUSCMK-IBGZPJMESA-N 276.383 3.548 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC(C)(C)c1ccccc1 432283979 GZPMLFITLICQJW-UHFFFAOYSA-N 293.370 3.924 30 20 CHED CCCCS[C@@H](C)C(=O)N(CCC#N)CCC(C)C 349435843 YPENDIGHVJXEAX-AWEZNQCLSA-N 284.469 3.697 30 20 CHED CC1(C)COc2cc(N[C@H]3CCC[C@@H](C#N)C3)ccc21 529641135 JGKJQPCJQLDMPO-OLZOCXBDSA-N 270.376 3.851 30 20 CHED C=CCCO[C@H](C)C(=O)N(CCC(C)C)C1CCCC1 520000035 STLILEJCEMGFGB-OAHLLOKOSA-N 281.440 3.785 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(SC(C)C)cc1 608823725 GXQIKFKZSVQJKX-AWEZNQCLSA-N 290.432 3.855 30 20 CHED C=CCC(C)(C)CNC(=O)N1Cc2ccccc2C[C@H]1C 432571600 GQAKDOSXAFJGIL-CQSZACIVSA-N 286.419 3.745 30 20 CHED C=CCCCN1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 344600646 PYRPLIRFGXFRAP-UHFFFAOYSA-N 296.418 3.617 30 20 CHED C=CCN(C(=O)c1ccnc(C2CC2)c1)c1ccccc1 341101588 SOLWHXQESWDTNV-UHFFFAOYSA-N 278.355 3.792 30 20 CHED COCc1cc(C#N)ccc1NC[C@@H](C)c1c(C)noc1C 603319270 OMKNMUMWLFFMET-LLVKDONJSA-N 299.374 3.525 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CC=CCC1 605985143 IVFBEXUHNUZGTP-MRXNPFEDSA-N 276.424 3.873 30 20 CHED C[C@@H]1CCc2c(sc(NC(=O)CCC3CC3)c2C#N)C1 609640589 HTXNSNOYKPFHOP-SNVBAGLBSA-N 288.416 3.873 30 20 CHED CCN(C(=O)[C@H]1[C@@H](C2CC2)[C@H]1C)[C@H](C)c1ccc(C#N)cc1 528160684 UHSPCCRJNDZEET-XHSVMWQWSA-N 296.414 3.760 30 20 CHED C[C@@H]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C[C@H]1C 348199699 QAWYNHJGTYNELZ-CPUCHLNUSA-N 296.414 3.531 30 20 CHED CCCc1ccc(C(=O)N2CCc3c(C#N)cccc32)s1 601642189 XJZBVYDZSJMHIX-UHFFFAOYSA-N 296.395 3.775 30 20 CHED CCOc1ccc(/C=C\c2ccncc2C#N)cc1OC 349112523 OLEUMTFDZDJQSJ-XQRVVYSFSA-N 280.327 3.531 30 20 CHED CC[C@H]1Cc2c(cccc2-c2ccc(C#N)s2)CN1 600777705 RVZLHADKUCVBPA-LBPRGKRZSA-N 268.385 3.711 30 20 CHED N#C[C@H](c1ccccc1)N1CCC2(CCSCC2)CC1 602948651 CYGYRCYDFWTERP-MRXNPFEDSA-N 286.444 3.860 30 20 CHED COc1ccc2c(c1)[C@@H](NCC(C)(C)CCC#N)CCC2 348244278 NLGVNMDYDFYXTI-KRWDZBQOSA-N 286.419 3.992 30 20 CHED C=CCCCC(=O)Nc1cnn(-c2ccccc2)c1CC 344290657 MQGJCWAUTPZTEU-UHFFFAOYSA-N 283.375 3.730 30 20 CHED N#CC1(CN[C@@H]2CCc3cc(F)c(Cl)cc32)CCC1 529610472 FFQGRYKLKOFEAJ-CQSZACIVSA-N 278.758 3.750 30 20 CHED Cc1ccccc1[C@H](NCc1cccc(C#N)n1)C(C)C 602561429 FLYVQCPZTGVGOP-GOSISDBHSA-N 279.387 3.749 30 20 CHED Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C(C)(C)C#N 601596029 MVRBKMGDKAOKTC-UHFFFAOYSA-N 288.244 3.641 30 20 CHED CC(C)[C@@H](NC(=O)[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 609848101 XSYRXMXHTRHCJB-GXFFZTMASA-N 298.308 3.678 30 20 CHED C=CCCCC[C@@H](C)N[C@H](CO)c1c(F)cccc1F 449138597 CNOJAIOCNJROCZ-IUODEOHRSA-N 283.362 3.723 30 20 CHED COc1cccc2c(CN(C[C@@H](C)C#N)C3CC3)cccc12 449035887 IMTKUOWLMBGEOK-AWEZNQCLSA-N 294.398 3.972 30 20 CHED Cc1sc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)c(C#N)c1C 443819669 XJLIWYPWTVGVID-SKDRFNHKSA-N 292.404 3.523 30 20 CHED CC(C)c1ccc(OC2CCN(CCCC#N)CC2)cc1 603850429 CNUYPEFFMAQIBZ-UHFFFAOYSA-N 286.419 3.957 30 20 CHED N#CC[C@H]1CCCN(Cc2c(F)ccc(F)c2Cl)C1 600177799 MLWMLUZYFWYDJZ-SNVBAGLBSA-N 284.737 3.744 30 20 CHED N#C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C1CC1 601070711 SNSASGSOAVIUGA-AWEZNQCLSA-N 296.399 3.539 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1 356328858 YABWYHSIHHPMEJ-UHFFFAOYSA-N 283.371 3.891 30 20 CHED CC(C)C[C@@H]1C[C@@H](NC2CCC(C)(C#N)CC2)CCO1 449253333 SLYYITKCDWVLNH-VUROTCPHSA-N 278.440 3.642 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H](OCCC)CC2)CC1 355832022 QTSZJJIINKOKHR-OAHLLOKOSA-N 279.424 3.541 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cnc([C@@H](C)CC)nc1 358177511 GJNJDYJGIIGYPO-NWDGAFQWSA-N 261.369 3.531 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(F)c(F)c1 539387321 GGIJHOPMBHXSJJ-NSHDSACASA-N 282.334 3.509 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(C(C)C)cn1 355140920 IUFFRWQISFSWNL-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(C#N)c(F)c1 353525015 VXNLLYNVJOQIOK-GFCCVEGCSA-N 297.333 3.922 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc(C#N)cs1 611561495 RUEHTYSOQLFBDW-GXSJLCMTSA-N 288.338 3.783 30 20 CHED COCC(C)(C)CCCN[C@@H]1CCc2ccc(C#N)cc21 353594516 GYTGILCRYOVQOS-QGZVFWFLSA-N 286.419 3.588 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCCc3ccc(F)cc32)C1 355476574 UISDPBRLRHYIIJ-VMGRFDJRSA-N 272.367 3.875 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/Cc2nccs2)cc1 261973082 DWPCCEZFQZJIFA-LLVKDONJSA-N 288.420 3.583 30 20 CHED COc1cc(C#N)cc(Cl)c1OCc1scnc1C 351906163 XFIKUYZWVQSRPI-UHFFFAOYSA-N 294.763 3.564 30 20 CHED CC[C@@H](C(=O)N(C)C1(C#N)CCC1)C1CCC(C)CC1 359292424 OPCVWYURXYHLMK-YMAMQOFZSA-N 276.424 3.744 30 20 CHED C=CCCC1(C(=O)NCC[C@@H](OCC)C2CCCC2)CC1 356263413 LNLUSTRSKUTTHO-MRXNPFEDSA-N 293.451 3.834 30 20 CHED C=CCN(C(=O)c1cccc(-c2ccoc2)c1)[C@@H](C)COC 617581757 YXRUJWLOHBQUDG-AWEZNQCLSA-N 299.370 3.610 30 20 CHED N#Cc1ccc(NC(=O)N2CCC3(CCC3)C2)c(Cl)c1 269127326 KOQXYZGBOUPVJX-UHFFFAOYSA-N 289.766 3.620 30 20 CHED C=C1CCN(C(=O)[C@H](Cc2ccccc2)C(C)C)CC1 265818859 QXWYSBRVYJENOB-QGZVFWFLSA-N 271.404 3.680 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncc(Cl)s1 618693327 FAXSTDFRMFBEBE-NSHDSACASA-N 275.764 3.768 30 20 CHED CC1(C)COc2cc(NCc3cccc(C#N)c3F)ccc21 530116699 OYKIPURBONMVFL-UHFFFAOYSA-N 296.345 3.979 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C1\CC[C@@H](C)C1 267896768 YSYFIJDLLOEGPK-VSXLWIIGSA-N 254.333 3.552 30 20 CHED C[C@@H](N[C@@H]1CCCc2scnc21)c1ccc(C#N)cc1 599025074 YWNMNJIROQVXDW-BXUZGUMPSA-N 283.400 3.743 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2cccnc21 619611417 MHUWONTVAGBNQT-ROUUACIJSA-N 289.382 3.608 30 20 CHED CC[C@@H](C)CCCCC(=O)N(CC#N)C1CCCC1 612043715 ADDNKBNKTFUIMV-CQSZACIVSA-N 264.413 3.888 30 20 CHED C[C@H](CCNC(=O)c1cc(C#N)cs1)c1ccccc1 267776039 HAUWZUGDMWADPE-GFCCVEGCSA-N 284.384 3.543 30 20 CHED N#Cc1csc(CNC[C@@H]2CCc3ccccc3C2)c1 610488759 PWEDTAVLFWLXOU-CYBMUJFWSA-N 282.412 3.514 30 20 CHED C[C@@H](N[C@@H]1CCCC1(C)C)c1ccc(C#N)c(F)c1 537406964 LBXUJJCKFXWKKH-IAQYHMDHSA-N 260.356 3.927 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)CC(C)(C)C#N 456841742 FYDZZWTZZXZLEF-KBPBESRZSA-N 264.413 3.649 30 20 CHED COc1cccc2c1OCC[C@@H]2Nc1ccc(C#N)cc1F 361814766 UXEOWNTXZRPDFG-AWEZNQCLSA-N 298.317 3.642 30 20 CHED CC(F)(F)CCC(=O)N[C@H](CCC#N)c1ccccc1 610976696 NNRJOHNTCCVZFZ-CYBMUJFWSA-N 280.318 3.583 30 20 CHED CCC(CC)n1ccc(C(=O)Nc2cccc(CC#N)c2)n1 456743421 GDKZNDUFLQSRII-UHFFFAOYSA-N 296.374 3.563 30 20 CHED Cc1cc(C)c(C#N)c(SCCCOC(C)(C)C)n1 610683842 SWCYCNNCWSZMLB-UHFFFAOYSA-N 278.421 3.867 30 20 CHED CC(C)n1ncc2c1[C@@H](NCc1ccc(C#N)cc1)CCC2 364884080 QJCBPXSDAXXUIZ-KRWDZBQOSA-N 294.402 3.503 30 20 CHED CCCN(CCCSCC#N)Cc1ccccc1F 610409690 PDHHRMZGUWYRFR-UHFFFAOYSA-N 280.412 3.685 30 20 CHED N#Cc1ccnc(N[C@H](c2ccccc2F)C2CCCC2)n1 450383277 ZPDXLEDZABFRNK-INIZCTEOSA-N 296.349 3.831 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(Cl)c(Cl)c1 618536898 WMWMJGKKLHRNIV-UHFFFAOYSA-N 272.175 3.822 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N(C)c1ccccc1C#N 544417874 FPWMGHNZZNFRNJ-CYBMUJFWSA-N 272.392 3.983 30 20 CHED C=C(C)CCNC(=O)C[C@H](C)c1ccc(CC)cc1 452719766 UJQCOAHQCPJPRY-AWEZNQCLSA-N 259.393 3.825 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(CC#N)cc1Cl 455737734 UOYRUKCAALUCRA-LBPRGKRZSA-N 291.782 3.882 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@@H]1C 362817336 KMLSUCYUAIKOMI-LBPRGKRZSA-N 261.390 3.589 30 20 CHED CC(C)(C#N)CCCCn1cnc(-c2ccccc2)n1 277779240 UGDOPXIYAWKWKI-UHFFFAOYSA-N 268.364 3.665 30 20 CHED C=CCCCCNC1CCC2(CC1)C(=O)Nc1ccccc12 274593668 NWXGUQNAXUOFKD-UHFFFAOYSA-N 298.430 3.765 30 20 CHED C=CCC[C@@H](NC[C@H](CCC)OC)c1ccco1 453260452 YDUWDWYETNQZIW-UONOGXRCSA-N 251.370 3.692 30 20 CHED C[C@@H]1CN(c2snc(Cl)c2C#N)[C@H]1c1ccccc1 271377627 WYMSNXKDPPTNQC-BXKDBHETSA-N 289.791 3.866 30 20 CHED CS[C@H]1CCN(c2c(C#N)cnc3c(C)cc(C)cc23)C1 450688278 YIGIZTGJJVRWEQ-AWEZNQCLSA-N 297.427 3.665 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1c(F)cccc1F 271756646 LUMAXIJGUMJJRM-LLVKDONJSA-N 266.335 3.945 30 20 CHED Cc1noc(C(C)C)c1C(=O)OCc1ccc(CC#N)cc1 271909394 XQYPYYHTNAGKCO-UHFFFAOYSA-N 298.342 3.530 30 20 CHED CC(C)CCCCC(=O)N(CCC#N)Cc1ccccn1 457535072 SWRZPFZUIHYOCZ-UHFFFAOYSA-N 287.407 3.540 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccn(C(C)C)c2C)c1 456933078 AVNWDJNKUQZFLH-UHFFFAOYSA-N 281.359 3.810 30 20 CHED Cc1nn(C)cc1/C=C1\C(=O)c2ccccc2[C@H]1C(C)C 277596072 MCNRZATZXGBFGR-VHEJECIDSA-N 280.371 3.748 30 20 CHED C=CCC[C@H](NC1CCN(C(C)C)CC1)c1ccco1 278963292 NXBSLLMMXJRQEH-INIZCTEOSA-N 276.424 3.749 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)c1ccc(Cl)s1 452775885 PWMHUXQMLSIRRG-VIFPVBQESA-N 271.813 3.833 30 20 CHED COc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)cc1C 272773761 VPJXBERHICKGJY-FNORWQNLSA-N 284.359 3.677 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(C(F)F)c1 274331988 MJMWJOLRRGWBRX-OAHLLOKOSA-N 280.318 3.682 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2ccccn2)cc1 362265593 IZJXWSHVINOXHC-AWEZNQCLSA-N 296.370 3.668 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H](OCCC)CC1 458805958 BLWZUDNXJLLQFF-HNNXBMFYSA-N 296.455 3.579 30 20 CHED C=CCN(C(=O)Cc1cc(C)ccc1C)C(C)(C)C 622944467 UCQZSICGUJJNMF-UHFFFAOYSA-N 259.393 3.659 30 20 CHED C=CCCCCCN(C)Cc1ccc(CC#N)cc1 543207783 JKDMFMRZWMZPCF-UHFFFAOYSA-N 256.393 3.931 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(NC)cc1 625924625 VOQSIDLDUFAYIZ-UHFFFAOYSA-N 261.369 3.595 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ncc(C(C)(C)C)o1 272390549 CTDVSKDDYMWMNT-GFCCVEGCSA-N 299.374 3.875 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1Cl 274643234 RLCHDQKKVQXWQL-JBLDHEPKSA-N 266.747 3.822 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 276027408 DJHNEINGDKKVIQ-INIZCTEOSA-N 290.363 3.624 30 20 CHED C=CCN(C(=O)CCc1ccc(C)s1)C(C)(C)C 622945858 WFTYKQWSDDCWON-UHFFFAOYSA-N 265.422 3.802 30 20 CHED C=CC[C@H](C(=O)N1C[C@H](C)S[C@H](C)C1)c1ccccc1 547654020 FZFWPSLPEFFGED-LZWOXQAQSA-N 289.444 3.699 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)Cc1cccc(F)c1 620861466 RAWGFXXODSQMTC-CYBMUJFWSA-N 277.383 3.865 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 466797107 SPAXFZZTJHUEKR-OAHLLOKOSA-N 288.435 3.959 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(Cl)nc1C 281869519 FGGVAVIGSKOQMK-JTQLQIEISA-N 267.760 3.520 30 20 CHED C=CCCOCC(=O)Nc1ccc(CCCCC)cc1 620173580 GEYHZNWWSJQKLB-UHFFFAOYSA-N 275.392 3.951 30 20 CHED C[C@H](CCc1ccc(F)cc1)NCCc1cccc(C#N)c1 467446319 DLOUIQOZKLFENB-OAHLLOKOSA-N 296.389 3.851 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1sc(CC)nc1C 280922251 UCOKACNEBCEEIJ-WHOFXGATSA-N 294.464 3.646 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 469156094 WZNQYHVNPDRJEQ-QWRGUYRKSA-N 276.767 3.976 30 20 CHED C=CCC(F)(F)c1nc(Cc2ccc(Cl)cc2)no1 556269452 NSRMDQKZWGTXGD-UHFFFAOYSA-N 284.693 3.982 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@H](C)C1 289370870 BHBKDMNAPRYYMA-VXGBXAGGSA-N 264.319 3.596 30 20 CHED CCc1ccccc1NC(=O)NCC1CCC(C#N)CC1 282878075 YYPRDJQFGNZFOU-UHFFFAOYSA-N 285.391 3.700 30 20 CHED Cc1ccccc1C[C@@H](C)N(C)c1nccc(C#N)c1Cl 553564046 PXXPLPQURKQEIG-CYBMUJFWSA-N 299.805 3.983 30 20 CHED C=CC[C@@H]1N(CCCO[C@@H]2CCCCO2)CCCC1(C)C 558737615 HFYSNWICOSIZTA-DLBZAZTESA-N 295.467 3.986 30 20 CHED CC[C@@H](C#N)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 475670291 NNLOWHRLXLYOHQ-GWCFXTLKSA-N 298.308 3.617 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N(C2CC2)C2(C#N)CCC2)cc1 551307133 KWNXOFFTHFIMMQ-OAHLLOKOSA-N 296.414 3.611 30 20 CHED N#CCC(=O)NCC1(c2cccc(Cl)c2)CCCCC1 297109510 SDFDSSQJEIZTKD-UHFFFAOYSA-N 290.794 3.572 30 20 CHED C=CCCCCNC(=O)[C@]1(C)CCc2ccccc2C1 471709444 PIMNTODRJUOOCA-GOSISDBHSA-N 271.404 3.654 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2nc(Cl)c(C#N)s2)o1 804359137 FQCAUUXVFSOJNO-CBAPKCEASA-N 293.779 3.997 30 20 CHED C=CC[C@@H](C(=O)N(C)Cc1conc1CC)c1ccccc1 294308551 ZMXWGCYCLIDSCD-MRXNPFEDSA-N 298.386 3.555 30 20 CHED Cc1cc(C)nc(C(=O)Nc2sc(C)c(C)c2C#N)c1 800798380 ZJEUNWRXURLGNL-UHFFFAOYSA-N 285.372 3.501 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O 477856875 IVBBYYQAIRBDNV-IMBTUZDBSA-N 289.463 3.807 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2nc(C)sc2c1 806130875 DPXJVYYDSLKFDC-LLVKDONJSA-N 287.388 3.528 30 20 CHED N#CCCCCCC(=O)OCc1nc2ccccc2s1 805696184 YOFKBAKMIVSXFA-UHFFFAOYSA-N 288.372 3.814 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1ccccc1SC 800012326 DUCQOKUYHZTXCM-ZDUSSCGKSA-N 294.416 3.996 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 293673390 QUIQFTUPPOPTTF-CTYIDZIISA-N 275.367 3.790 30 20 CHED C=CC[C@H](C)NC(=O)N1CCc2c(cccc2C(C)C)C1 474545247 RMEBNYPNLXGZJS-AWEZNQCLSA-N 286.419 3.842 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C[C@H]2C=CCC2)cc1 568156865 HWLLEQZUAWRLLB-DOTOQJQBSA-N 282.387 3.628 30 20 CHED N#CCCCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 291771337 LSKBWSUMUVPLBN-QGZVFWFLSA-N 282.387 3.749 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](C)c1cccc(F)c1 804834736 NZOYWNIDHWJSLG-HNNXBMFYSA-N 295.357 3.591 30 20 CHED C#C[C@@H](CC)NC(=O)[C@H](C)c1cccc(CC(C)C)c1 803194095 MYQNHWLKQOCDOH-PBHICJAKSA-N 271.404 3.517 30 20 CHED C=CCCCCNC(=O)NCc1c(F)cccc1Cl 472959171 ZXTVUZLGJRETQB-UHFFFAOYSA-N 284.762 3.635 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 647374991 PRSVIEDHIKVTQG-ZDUSSCGKSA-N 282.368 3.819 30 20 CHED CC[C@@H](C)CCC(=O)OCc1cccc(C#N)c1F 803880079 GUYVUPQCLBTAQK-LLVKDONJSA-N 263.312 3.567 30 20 CHED CC(C)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297863683 TVFCBVLOXJHGEP-UHFFFAOYSA-N 250.367 3.512 30 20 CHED C=CCC[C@@H](NC[C@](C)(CO)Cc1ccccc1)C1CC1 477865908 UBFTZQLMRXCMQG-RTBURBONSA-N 287.447 3.562 30 20 CHED Oc1ccc(Cl)cc1C=NOCc1ccccc1 390804786 XUWVMJFSZSUMLR-UHFFFAOYSA-N 261.708 3.596 30 20 CHED C#C[C@@H](NC(=O)N(C)CCC(C)C)c1ccc(Cl)cc1 811963309 KPYWWXMEHVLBQF-OAHLLOKOSA-N 292.810 3.702 30 20 CHED Cn1cc(CNCCc2ccc(C(C)(C)C)cc2)cc1C#N 480636373 MHFDVPGXXIYSDT-UHFFFAOYSA-N 295.430 3.527 30 20 CHED Cc1cccc(CCSCc2ccc(F)cc2C#N)n1 563141571 INGZJGHCTOZUFW-UHFFFAOYSA-N 286.375 3.877 30 20 CHED CCCCCCC[C@@H](C)NC[C@H]1CC[C@H](C(N)=O)CC1 817411489 SKJXHAQXXQPVAY-BZUAXINKSA-N 282.472 3.617 30 20 CHED C=CCC[C@H](Nc1ccc(C(=O)OC)cn1)c1ccccc1 813600399 ZNNGBUZUIXGWDW-INIZCTEOSA-N 296.370 3.988 30 20 CHED Cc1cc(S[C@H]2C[C@H](C)CCC2=O)ccc1C#N 578323006 WUOLYURLGCQNSW-BMIGLBTASA-N 259.374 3.717 30 20 CHED c1ccc(-c2nnc(NN=C3CC[C@H]3C3CCC3)s2)nc1 814912642 ZSXQEJRSHJLKJL-NSHDSACASA-N 299.403 3.578 30 20 CHED COc1ccc(F)cc1/C=C1\CCc2c(O)cccc2C1=O 812243571 ORDVRIKVHQVHSD-PKNBQFBNSA-N 298.313 3.752 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1ccccc1F 815311099 XUHFDWXOBVXJLF-SECBINFHSA-N 258.239 3.641 30 20 CHED C=CCCCCCCCNC(=O)N1CCC(CC#N)CC1 811927306 OFNPCRPBXKKBIA-UHFFFAOYSA-N 291.439 3.848 30 20 CHED C(=NNCCCc1ccccc1)c1cccc2cc[nH]c12 814837718 IKLROGSJFGBLOG-UHFFFAOYSA-N 277.371 3.724 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CC[C@H]1C1CCC1 814934179 NZHXWSYKSWOOIW-BBRMVZONSA-N 272.392 3.610 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](CCCC)C1CCC1 815782846 AKIXPOMJIGRMAG-GFCCVEGCSA-N 259.340 3.673 30 20 CHED C#CCCCC(=O)N(CCCC)[C@@H]1CCC[C@@H](C)C1 818801933 HUXNUYGGFVKFBE-HZPDHXFCSA-N 263.425 3.997 30 20 CHED CC(C)Sc1c(Cl)cccc1NC(=O)NCCC#N 488476913 HXSZUUJRKBXHLP-UHFFFAOYSA-N 297.811 3.876 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2cscc2C)cc1 579727245 CEMXCIJEQZMRNR-INIZCTEOSA-N 298.411 3.956 30 20 CHED CCCC(=NNCCN1CCCCC1)C1CCCCC1 727778397 GRALKGYUGOLJAF-UHFFFAOYSA-N 279.472 3.798 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(CN(C)C)cc1C 822344474 ZSXXYWNEWKDSHY-AWEZNQCLSA-N 274.408 3.597 30 20 CHED CC[C@@H](CC#N)N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 576357419 ODTPCUWTCKNYPA-HIFRSBDPSA-N 298.390 3.696 30 20 CHED C[C@H](C(=O)O[C@H](C)C#N)c1c(Cl)cccc1Cl 726027886 CZCCRONMAZAUOY-SFYZADRCSA-N 272.131 3.552 30 20 CHED C=C(C)COC(=O)CCc1ccc(OC(F)(F)F)cc1 727534636 IDLDFHRHPOJKKI-UHFFFAOYSA-N 288.265 3.637 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1cc(C#N)ccc1F)C1CC1 826565163 MLWUMNQPRCILEU-RYUDHWBXSA-N 288.366 3.737 30 20 CHED O=C(/C=C\c1ccc2oncc2c1)c1cccc([N+](=O)[O-])c1 821022154 PFYZISARKPOKLF-XQRVVYSFSA-N 294.266 3.632 30 20 CHED CC1(C#N)CCC(N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 824338678 CVZWRHOJEZUKMY-AQFXKWCLSA-N 288.822 3.869 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)CCCCCC#N)C1CC1 588923691 HRMDFHVNHXHSPU-UONOGXRCSA-N 264.413 3.886 30 20 CHED CC#CCCNCc1cccc(OCc2ccccc2F)c1 499218017 XAELLHMJHXMCDS-UHFFFAOYSA-N 297.373 3.908 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@H](C2CCC2)C1 665677697 BWSARESGVQPNDN-HNNXBMFYSA-N 285.387 3.514 30 20 CHED C=CCN(CC1CCCCC1)C(=S)NCCCC 732625582 QPDRLVWPGVUHMG-UHFFFAOYSA-N 268.470 3.729 30 20 CHED C#Cc1ccc([C@H](OC(=O)CCCC#N)C(F)(F)F)cc1 836083775 VVJBMWNSFLFWQL-AWEZNQCLSA-N 295.260 3.508 30 20 CHED C#CCOc1cccc(NC(=O)c2cccc(C)c2C)c1 730975739 LVEGACFQUHJTHO-UHFFFAOYSA-N 279.339 3.568 30 20 CHED CC1=CC(=NNc2cccc(C(F)(F)F)n2)CCC1 739421636 LDPRXVYCQAUEPN-UHFFFAOYSA-N 269.270 3.999 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(C(C)C)n1 839055079 DXDMNDOHDDAVLY-KBPBESRZSA-N 286.375 3.753 30 20 CHED C[C@@H](NC1CCC2(CCCO2)CC1)c1ccc(C#N)cc1 581064576 VYAXZSCCCBDYTH-RWBZWWBESA-N 284.403 3.701 30 20 CHED Fc1cc(NN=C2CCc3ccccc3CC2)ccn1 834972481 CAZWSKMFFXAJDY-UHFFFAOYSA-N 269.323 3.568 30 20 CHED Cc1ccc(CN(C(=O)CCCCCC#N)C2CC2)o1 588297994 FKSCWANEXUZZPC-UHFFFAOYSA-N 274.364 3.553 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC(C)(C#N)CC1 834978407 FZLRJZCNRSSRLK-MBIQTGHCSA-N 285.391 3.503 30 20 CHED C#CCCCCCC(=O)Nc1sc(C)c(C)c1C(=O)O 833361991 VHFRSRLNKKWRNH-UHFFFAOYSA-N 293.388 3.585 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@H](C)c1cccc(F)c1 734811683 LBPDHEJTENATJV-AWEZNQCLSA-N 290.382 3.718 30 20 CHED Fc1ccccc1CNN=Cc1cnc(C2CCC2)s1 835010589 CTLOWVKTRTXAOJ-UHFFFAOYSA-N 289.379 3.673 30 20 CHED C#CCCCCC(=O)NCC1(c2cccc(F)c2)CCC1 830875238 UKZCCJHAQUVZNN-UHFFFAOYSA-N 287.378 3.557 30 20 CHED C=Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839062153 LCZXTUHGEAQKGY-DZGCQCFKSA-N 255.317 3.569 30 20 CHED C=CCCc1ccccc1NC(=O)CC(C)(C)CC(=O)O 911401090 DQRGAJWXRZVFQO-UHFFFAOYSA-N 289.375 3.635 30 20 CHED CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)[C@@H](C)C(C)C 593969252 ZJKLWZVCEVNYPB-CABCVRRESA-N 286.419 3.630 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H]1CCCC[C@@H]1SC(C)C 835284069 AIBURKAAJQKAMO-BARDWOONSA-N 298.448 3.574 30 20 CHED C[C@H](CCC1CCCCC1)NC[C@H](O)CC(C)(C)C#N 598718434 FCGAWHOSEMSWMK-GDBMZVCRSA-N 280.456 3.626 30 20 CHED CCC(=NNc1ccc(C#N)cc1)c1ccc2c(c1)CCO2 915961794 FJXCQZQKWBXEOQ-UHFFFAOYSA-N 291.354 3.719 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 591779867 PNRGDPDOKZENAU-RISCZKNCSA-N 290.794 3.654 30 20 CHED N#Cc1ccc(C=NNc2ccc(Cl)cc2Cl)o1 743428078 KCPHRLPWDVMRLI-UHFFFAOYSA-N 280.114 3.904 30 20 CHED C=CC[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccncc1 745827541 LLHLFLOUAWJCRE-CXAGYDPISA-N 299.418 3.671 30 20 CHED CCC(CC)CN(CCC#N)c1nc(C#N)c(Cl)s1 596173526 WHQKRQXEZLQDLK-UHFFFAOYSA-N 296.827 3.824 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(Cl)c(C)c1 594188731 GIILCBHISJJUDD-UHFFFAOYSA-N 277.755 3.582 30 20 CHED COc1ccc(C=NNc2ccccc2)cc1Cl 741450837 CKJXIJHOJRNYND-UHFFFAOYSA-N 260.724 3.795 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C2CCCC1CCC2 593986394 YOFWFWLOMPJPAE-RWBZWWBESA-N 296.414 3.670 30 20 CHED CN(C)[C@@H]1CCc2cc(NC(=O)CCCCCC#N)ccc21 590874245 OHMBDDQKLOZNLO-QGZVFWFLSA-N 299.418 3.648 30 20 CHED N#CC[C@@H]1CCCN(CCCOc2ccc(Cl)cc2)C1 595609721 OFJJMYLPEUZHNR-AWEZNQCLSA-N 292.810 3.735 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)CC2(C#N)CCCCC2)C1 597284006 YQSMACLEOIONBX-FICVDOATSA-N 276.424 3.791 30 20 CHED CC(C)O[C@H](CN(C1CC1)[C@H](C)C#N)c1ccccc1 595710956 XWEJQBWZECMVKU-RHSMWYFYSA-N 272.392 3.529 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C2CC3(CC3)C2)CC1 597519449 NGFPXOIKXQHCJR-UHFFFAOYSA-N 288.435 3.791 30 20 CHED C[C@H](OC(=O)C[C@@H](C)C1CC1)c1ccc(C#N)cc1 748676853 DKNMALJCBAZGSU-NEPJUHHUSA-N 257.333 3.599 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCC(C)(C)[C@H]1C#N 592624566 ZWROXUYJFXXFHJ-BFHYXJOUSA-N 276.424 3.599 30 20 CHED C=CCN(C(=O)CCCOc1ccc(C)cc1)C(C)C 914683212 LDGYAOMIDJQDRO-UHFFFAOYSA-N 275.392 3.577 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C/C=C/c1ccc(C(C)C)cc1 594086243 QTTAVCPHJSMJPY-LXXRFIIISA-N 284.403 3.974 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1nc2ccccc2n1C)C(C)(C)C 744011028 UZJHLYYIVWAXMI-XSNHNAGMSA-N 295.386 3.742 30 20 CHED C=CCNC(=S)Nc1ccc(OC2CCCC2)c(F)c1 741878473 CIIGLWAUJVEMEU-UHFFFAOYSA-N 294.395 3.620 30 20 CHED C/C(=C\c1ccccc1)CN1CCC[C@H](CC#N)C1 597173351 JFAJXSVRNNQQOP-OKACTXMXSA-N 254.377 3.716 30 20 CHED Cc1cc(C)c(/C=C/C(=O)NC2(C#N)CCCCC2)cc1C 749603878 NUGCRIOWDUBOCI-BQYQJAHWSA-N 296.414 3.968 30 20 CHED C=C(C)CNC(=S)N1c2ccccc2CC[C@H]1CC 749007549 IRIHFJBVLIPYPA-CQSZACIVSA-N 274.433 3.668 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCCC(F)(F)CC1 599553328 ZYYZVXXQVBDQFS-GFCCVEGCSA-N 264.319 3.740 30 20 CHED C[C@H](C#N)N(CCOc1ccc2ccccc2c1)C1CC1 595715852 FTFSQAARUYHWKX-CQSZACIVSA-N 280.371 3.595 30 20 CHED COC(=O)c1ccccc1CSCC(C)(C)CC#N 594905560 WXCFFVVPDNKNRD-UHFFFAOYSA-N 277.389 3.646 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCCc3ccccc32)nc1 915968676 DMUJXPGTSXMPNS-UHFFFAOYSA-N 296.330 3.532 30 20 CHED Cc1ccc(C2(C(=O)N[C@@](C)(C#N)C(C)(C)C)CCC2)cc1 591857050 DQHSALFOCYHWTH-SFHVURJKSA-N 298.430 3.861 30 20 CHED CCCCCCCCCCSc1nnc(C)n1N 915790910 NJKQRSQGUJRFJG-UHFFFAOYSA-N 270.446 3.533 30 20 CHED COCc1ccc(C=NNc2cccc(C)c2)cc1 741759055 FDYQPONZWPVEGF-UHFFFAOYSA-N 254.333 3.587 30 20 CHED CC(C)CO[C@H]1CC(=NNc2ccc(Cl)nc2)C1(C)C 743450077 KVUNUZODKDHQAB-ZDUSSCGKSA-N 295.814 3.974 30 20 CHED C=CCCCCn1ccnc1[C@H](O)C1CCCCC1 849950354 CJOAWCGGLSKWCW-OAHLLOKOSA-N 262.397 3.853 30 20 CHED CC(C)Cn1nccc1/C=C1/Cc2ccc(F)cc2C1=O 843270775 ZPYCGALCGFYBCR-JYRVWZFOSA-N 284.334 3.501 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F 596495301 UEZNPAJGUDNDGL-UHFFFAOYSA-N 295.314 3.600 30 20 CHED Cc1c(NN=C2CCC23CCCC3)cccc1C(=O)O 844624925 TWZQTEBZGHOOCV-UHFFFAOYSA-N 272.348 3.815 30 20 CHED CC#CCOC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 745224005 VJSRTMQPVNXTJH-LLVKDONJSA-N 284.277 3.766 30 20 CHED C=C[C@H](C)ON=C1CCC[C@H](c2ncccc2C)C1 844625635 NWHDNMRKECDUSE-KBPBESRZSA-N 258.365 3.995 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CC1CC1)C1CCC1 594014126 MIEPBELXQWUFPV-AWEZNQCLSA-N 296.414 3.528 30 20 CHED C#Cc1cccc(NC(=S)NCCC(C)(C)C2CC2)c1 840763612 KSIJFMOGSHSWPP-UHFFFAOYSA-N 286.444 3.781 30 20 CHED C=C[C@H](CC(=O)OCC[C@@H](C)C(C)=O)c1ccccc1 849748738 KILSQLBXZPCGNC-UKRRQHHQSA-N 274.360 3.505 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccnn1CC(C)C 843270470 VMIMANDQWPNYIJ-PLNGDYQASA-N 274.389 3.805 30 20 CHED CCc1ncc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)o1 929330280 DXYUWAVASZBDBM-ZDUSSCGKSA-N 283.375 3.692 30 20 CHED C=C(Cl)CN(C)Cc1ccc(Br)c(F)c1 755195075 NFJJBZKOZAECAY-UHFFFAOYSA-N 292.579 3.773 30 20 CHED CCc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)s1 851213616 RXHSMFJDFAMHBE-JTQLQIEISA-N 265.378 3.796 30 20 CHED C=CCC[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)O 756389680 RUEXTYPCMKDYFS-GFCCVEGCSA-N 288.174 3.502 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(C)cc1)OCC 756578757 KCEDZSGIUCAGPO-GOEBONIOSA-N 276.376 3.971 30 20 CHED C#C[C@](C)(CC)N[C@H](C)c1ncc(-c2ccccc2)o1 852101687 GSZSSURZWINBJY-CXAGYDPISA-N 268.360 3.794 30 20 CHED O=C(/C=C/c1ccccc1C1CC1)c1cc(O)ccc1O 757467686 JSGLKGREKBIPOA-VQHVLOKHSA-N 280.323 3.871 30 20 CHED CCOc1ccc(C=Nc2cccc(OC)c2)c(O)c1 920943423 HZAMLJCYYOEHSN-UHFFFAOYSA-N 271.316 3.550 30 20 CHED COc1ccc(C)cc1C=NN[C@@H](C)c1ccccc1 920383145 SWKXRTSIUZCAGR-AWEZNQCLSA-N 268.360 3.688 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)c1cccc(C#N)c1 758529793 JRJGUPQBNXSUBC-CYBMUJFWSA-N 269.344 3.931 30 20 CHED C(=NO[C@H]1CCCCO1)c1nc(-c2ccccc2)cs1 755823651 REQXGEJITVRQNZ-HNNXBMFYSA-N 288.372 3.687 30 20 CHED C#CCCOc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851205855 MLMZMENOTNAODJ-CQSZACIVSA-N 299.370 3.574 30 20 CHED Cc1oc2ccccc2c1[C@H](C)NCC(C)(C)C#N 926874067 MYUWQXASICXXGE-NSHDSACASA-N 256.349 3.942 30 20 CHED C[C@H](C=NO[C@H]1CCCCO1)CCc1ccccc1 755815471 SHBPKOJCDBDKRY-HOCLYGCPSA-N 261.365 3.784 30 20 CHED COc1ccccc1CON=C(C)CC(C)(C)C#N 853342821 OTYXPWKGFLIJTP-UHFFFAOYSA-N 260.337 3.528 30 20 CHED C(=NNC1CCCCC1)c1cc2ccncc2s1 853336469 ANBAGFYECCXKTC-UHFFFAOYSA-N 259.378 3.553 30 20 CHED CC(=NNC1CC1)c1csc(-c2csc(C)n2)c1 758126283 DTULIVLNCNLOPV-UHFFFAOYSA-N 277.418 3.656 30 20 CHED C#C[C@H](CC)NC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 753274243 XPOWTIFVHAFIFB-NXHRZFHOSA-N 298.430 3.624 30 20 CHED CCN(Cc1cccc(F)n1)[C@H](C)c1ccc(C#N)cc1 851736452 QDXVMYIEHUGGBS-CYBMUJFWSA-N 283.350 3.675 30 20 CHED CC[C@@H]1CCCC1=NNC(=S)Nc1ccccc1OC 758363896 YKPJTANINCNQSE-LLVKDONJSA-N 291.420 3.548 30 20 CHED Cc1cc(F)ccc1NN=Cc1c[nH]nc1-c1ccccc1 755800498 BLOURLHJOUHWFY-UHFFFAOYSA-N 294.333 3.970 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1O[C@@H](C)C#N 935299590 XHNLNYHGZJJKDK-QWHCGFSZSA-N 272.348 3.518 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2cc3ccccc3o2)c1 763171725 ZLDOSMLCJGCQGV-VOTSOKGWSA-N 296.278 3.709 30 20 CHED COc1ccsc1C(C)=NNCCC(C)(C)C 769802978 UCOGKEODOKYNLS-UHFFFAOYSA-N 254.399 3.507 30 20 CHED C#CCSCCN[C@@H](C)c1ccc(OC(C)(C)C)cc1 765813014 UPICLICBENULCT-AWEZNQCLSA-N 291.460 3.881 30 20 CHED CC(=NNc1nc2ccccc2s1)C(F)(F)F 761723972 KNBCPJUBAHGJPX-UHFFFAOYSA-N 259.256 3.646 30 20 CHED C#CCN(Cc1ccc(O[C@H](C)C#N)cc1)C1CCCCC1 769146383 UEFAAHDDVYBNEQ-MRXNPFEDSA-N 296.414 3.745 30 20 CHED C=CCN(C(=O)Nc1c(C)cccc1F)C(C)C 764691670 FCPMIAXTPIYBTH-UHFFFAOYSA-N 250.317 3.562 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2cccc(F)c2[C@H]1C 933271866 YVCVFPIZAXAUPX-CHWSQXEVSA-N 275.367 3.874 30 20 CHED C#CCOc1ccccc1-c1noc(/C=C2/CC[C@H](C)C2)n1 761996579 ZZPBPUDZQUBBSL-BSHRGCEOSA-N 294.354 3.952 30 20 CHED C#CCCCN[C@H](c1cccc(Cl)c1)c1ccccn1 766922182 KDLKKOWAJVIOBU-QGZVFWFLSA-N 284.790 3.827 30 20 CHED CC#CCCOC(=O)c1cccc(-c2ccoc2)c1 760284407 PUBKYANMUJCEEH-UHFFFAOYSA-N 254.285 3.517 30 20 CHED CCCCCCCCCC(=O)N1CCO[C@H](C)[C@H]1C 765983429 KTHCPMNIASMPLW-HUUCEWRRSA-N 269.429 3.763 30 20 CHED C[C@H]1CC(=NNc2c(Cl)cccc2Cl)CCN1C 763180764 VFWGVLJFTMHKOS-VIFPVBQESA-N 286.206 3.875 30 20 CHED CC#CCCOC(=O)CCCc1ccc(Cl)cc1 760291845 KXEIAWCSMOYYNZ-UHFFFAOYSA-N 264.752 3.619 30 20 CHED CC[C@@H](C(=O)Oc1ccc(C#N)cc1)c1ccc(F)cc1 763364381 VFQNLIQOZFULLS-MRXNPFEDSA-N 283.302 3.797 30 20 CHED C=C(C)CONC(=O)c1cc(C(F)(F)F)ccc1Cl 862132768 MOUAOMAELQBMQC-UHFFFAOYSA-N 293.672 3.596 30 20 CHED Fc1cc(NN=Cc2cccc3cn[nH]c23)ccc1Cl 1116191419 ILXCAATVIAWRTJ-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C#CCCCOc1ccc2c(CCC)cc(=O)oc2c1 766285169 QJSPZZOAJFNPFK-UHFFFAOYSA-N 270.328 3.538 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCc1ccsc1 768520538 OSEHXOBRHRMACM-UHFFFAOYSA-N 279.405 3.944 30 20 CHED C#CCCc1noc(-c2cc3ccccc3s2)n1 762015887 GBUJVVHRGALDOM-UHFFFAOYSA-N 254.314 3.517 30 20 CHED COc1ccc(NN=C[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 768367976 UMQQIZYFCAWDNP-NEPJUHHUSA-N 291.351 3.827 30 20 CHED CCc1cnccc1C(C)=NNc1cc(F)cc(OC)c1 765584582 RNZQMCQAKMGSJH-UHFFFAOYSA-N 287.338 3.628 30 20 CHED C=CCNC(=O)Nc1ccc(-c2ccccc2)c(C)c1 762949292 CRCRHFWZDYQYMX-UHFFFAOYSA-N 266.344 3.970 30 20 CHED CCC[C@H](C(=O)Oc1ccc(C#N)cc1OCC)C(C)C 764157207 RHPPXYGDJXUZMD-AWEZNQCLSA-N 289.375 3.935 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C/c1ccc(C#N)cc1)C2=O 1115823376 AMXQWDJMAAMBPX-CDCQXCROSA-N 289.334 3.956 30 20 CHED C[C@H](C=NNCC(F)(F)F)CC1CCCCC1 769808049 IOHQMUYLTYKGFG-JTQLQIEISA-N 250.308 3.731 30 20 CHED C#CCN(CC)C(=O)c1ccccc1SCC=C(C)C 764208763 ACVBGSNIPRHMNA-UHFFFAOYSA-N 287.428 3.840 30 20 CHED CC[C@@H](CC#N)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 762718043 DPRSTYIDLPBUNU-CLOOOTJHSA-N 284.403 3.806 30 20 CHED C=CCCc1ccccc1NC(=O)N1CC[C@H](CF)C1 879495133 BLRFGVUQXFFXMW-CYBMUJFWSA-N 276.355 3.629 30 20 CHED CCCCCCCCCN1CCC(c2nnc(N)o2)CC1 878814204 GDIOPDOUNUBOPC-UHFFFAOYSA-N 294.443 3.582 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cccc(C(=O)O)c2)c1 774117441 VUOQJEVSUVWUCC-HJWRWDBZSA-N 280.323 3.898 30 20 CHED N#Cc1cc(/C=C\C(=O)c2cc(F)ccc2F)ccc1F 770571706 VMKSDZUSMJUMFD-KXFIGUGUSA-N 287.240 3.872 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)Cc1ccccc1CC#N 776927453 SUJGQMCPKNVRLM-JKSUJKDBSA-N 298.430 3.628 30 20 CHED CCC(CC)CNN=Cc1cn(C)nc1-c1cccs1 774478370 QUFOLXTUVCVYKK-UHFFFAOYSA-N 290.436 3.508 30 20 CHED C#CC[C@@H](NC(=O)N(CC1CCC1)C(C)C)c1ccccc1 770763412 OLCLXDHOLGQUFJ-GOSISDBHSA-N 298.430 3.971 30 20 CHED C=CCN(C(=S)NC[C@H](CC)CCCC)C1CC1 771546076 YFBSPIYWECJIRK-CYBMUJFWSA-N 268.470 3.728 30 20 CHED CCOCCON=C(C)c1ccc(SCC)cc1 774414354 GPHCQEUXSHKWIT-UHFFFAOYSA-N 267.394 3.576 30 20 CHED N#CCc1cccc(NCc2c(F)cccc2Cl)n1 771752757 FOSJZOFXWLXHHG-UHFFFAOYSA-N 275.714 3.552 30 20 CHED CC(=NNc1ncccc1Cl)C1CCSCC1 777432373 BBFAKOYUIFTKNE-UHFFFAOYSA-N 269.801 3.666 30 20 CHED C#CCOc1ccccc1NCc1cc(F)c(F)c(F)c1 775361788 SQGQINUSZXPPAS-UHFFFAOYSA-N 291.272 3.728 30 20 CHED CCCc1cccc(/C=C\C(=O)c2ccncc2)c1 774106281 PCDWDUIPAXUSOX-FPLPWBNLSA-N 251.329 3.930 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1ccncc1 776188394 MJYAAQMIWZVJJB-AATRIKPKSA-N 260.296 3.526 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)CCSC)c1ccccc1 777680185 IPZMJAGWJYJAQA-HIFRSBDPSA-N 277.433 3.604 30 20 CHED COc1ccc(C(=O)/C=C/c2nc3c(s2)CCCC3)cc1 776263187 NVGDQWRVYYQNFM-ZHACJKMWSA-N 299.395 3.927 30 20 CHED CCCC(CCC)=NNc1ccc2c(=O)[nH]ccc2c1 789060673 JEHHLRHUFMWSFH-UHFFFAOYSA-N 271.364 3.896 30 20 CHED C=C(C)CCC(=O)N1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C 1120717587 SBOWLQBCDFUBLL-KBPBESRZSA-N 287.403 3.886 30 20 CHED C=C1CCC(C(=O)Nc2ccc3ncccc3c2)CC1 1120554208 NOKNQLHQDMMHKN-UHFFFAOYSA-N 266.344 3.920 30 20 CHED C=CCCCCCOC(=O)/C=C\c1cnccc1C 786919992 YERDSROXHUTMCW-HJWRWDBZSA-N 259.349 3.693 30 20 CHED C=CCC1(C(=O)NCC(C)(C)C2=CCOCC2)CCCC1 1121294124 JBQUZUIVONYENW-UHFFFAOYSA-N 291.435 3.612 30 20 CHED N#CCCN(Cc1ccccc1Br)CC1CC1 81044426 LCOZUQPUCDRNDM-UHFFFAOYSA-N 293.208 3.575 30 20 CHED C=CCCCCCOC(=O)c1ccccc1[S@@](=O)CC 782597932 IRACBBQSOROKEE-FQEVSTJZSA-N 294.416 3.717 30 20 CHED C=CC[C@H](NC(=O)c1c(C)oc(C)c1C)c1ccncc1 786171217 NYRDWTOFDRIPLZ-HNNXBMFYSA-N 284.359 3.647 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NN[C@@H](CO)c1ccccc1 788456948 GCUMTQOPHSBWRE-CJNGLKHVSA-N 274.408 3.512 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCCCCCF 789673624 YNKWKZAGTASWBZ-LBPRGKRZSA-N 250.317 3.529 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)NCC(C)(C)CC#N 895302138 SXWVRDSFENHRNX-HNNXBMFYSA-N 285.391 3.603 30 20 CHED C=CCCCCCOC(=O)[C@@H](F)c1ccccc1 784754307 MATWSIMWAIHOOA-AWEZNQCLSA-N 250.313 3.987 30 20 CHED CCc1cccc(Cl)c1/C=C/C(=O)c1cnccn1 788734743 YCVIZZPGCOHOSO-VOTSOKGWSA-N 272.735 3.589 30 20 CHED CC(C)CNN=C1CC(c2ccc(Cl)cc2)C1 783865288 YHSKLUQWVQQBSI-UHFFFAOYSA-N 250.773 3.819 30 20 CHED Cc1ccc(-c2ncc(CN3CCC[C@H](C#N)C3)s2)cc1 896501652 GWWZKWMEOLRVLY-CQSZACIVSA-N 297.427 3.854 30 20 CHED C=C1CCC(C(=O)NCc2ccc3ncccc3c2)CC1 890327655 MNFOCMPSXXJDBE-UHFFFAOYSA-N 280.371 3.597 30 20 CHED CCCC1(C(=O)Nc2ccccc2O[C@@H](C)C#N)CCC1 780161538 GYOVVPWUIIVDHB-ZDUSSCGKSA-N 286.375 3.886 30 20 CHED CCCCCCCNc1ccc2ccn(C)c(=O)c2c1 789683122 UTXCWZPVUFCGDR-UHFFFAOYSA-N 272.392 3.921 30 20 CHED CCCCc1ccc(NC(=S)NCCCC#N)cc1 783756056 GXJHJHSLTAJTQS-UHFFFAOYSA-N 275.421 3.619 30 20 CHED C=CCC1(C(=O)Nc2cccc(OC)c2OC)CCCC1 894309778 NFKFTKMXODMAIU-UHFFFAOYSA-N 289.375 3.779 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nn(C(C)C)cc1Cl 894879898 DJNDZXVFOJROGY-ZDUSSCGKSA-N 269.776 3.658 30 20 CHED COc1cc(C)c(C(C)=NNc2ncccc2F)cc1C 794991182 WJFAHEUFIHFITA-UHFFFAOYSA-N 287.338 3.682 30 20 CHED C=C(C)COC(=O)c1ncccc1Oc1ccccc1 799559944 BBWHWKMWPZDVRF-UHFFFAOYSA-N 269.300 3.607 30 20 CHED NC(=NOCc1cccc(C(F)F)c1)c1ccc(F)cc1 794714335 FPVQDJUSMCNSHE-UHFFFAOYSA-N 294.276 3.600 30 20 CHED C=CCC[C@@H](NCc1ccc(C#N)cc1)c1ccco1 796697171 UXJXWNVQIAQIEY-MRXNPFEDSA-N 266.344 3.948 30 20 CHED C/C(C=NNC[C@@H](C)C#N)=C/c1ccccc1C(F)(F)F 799883236 VIGKIRBLZDKYIE-APLPTARRSA-N 295.308 3.844 30 20 CHED CSCCON=C(C)c1cc(C)c(F)c(C)c1 794572016 JFZQQSQKUWOGAZ-UHFFFAOYSA-N 255.358 3.546 30 20 CHED C=CCC1(NCc2ccc(COC)cc2)CCCC1 657702522 LNULRNZHUDSMRT-UHFFFAOYSA-N 259.393 3.812 30 20 CHED CCCOc1c(Cl)cc(C=NN[C@@H](C)CC)cc1OC 790182582 KVNYLMBKMVCFMI-NSHDSACASA-N 298.814 3.859 30 20 CHED CCCN(Cc1cccc(C#N)n1)[C@@H]1CCc2ccccc21 1204803258 KIAUYRLUSFEKBA-LJQANCHMSA-N 291.398 3.853 30 20 CHED CC(=NNc1nc(-c2ccccc2)cs1)c1cc(C)on1 790288534 UMWXDDRFRQREBU-UHFFFAOYSA-N 298.371 3.943 30 20 CHED C#Cc1ccccc1C(C)=NNc1cccc(F)c1[N+](=O)[O-] 790308843 OSZLKGBEWQRQQZ-UHFFFAOYSA-N 297.289 3.551 30 20 CHED Cc1cccnc1NN=Cc1c(F)cccc1Cl 790191058 QBWYXRHYXRMRAE-UHFFFAOYSA-N 263.703 3.629 30 20 CHED N#Cc1ccnc(NCc2ccc(C(F)(F)F)cc2)c1 61627123 HTNQFNBERAPRSN-UHFFFAOYSA-N 277.249 3.584 30 20 CHED FCC[C@@H]1CCCC1=NNc1cccc(Cl)n1 793181246 NLZKTKOJQXOBGI-VIFPVBQESA-N 255.724 3.663 30 20 CHED Fc1cccc(Br)c1C=NNC1CCCCC1 794534532 JPIXBSQGZIMRIH-UHFFFAOYSA-N 299.187 3.844 30 20 CHED C#CC(C)(C)N(C)Cc1csc(C2CCCC2)n1 787999237 MHIVCCYOZIWGMP-UHFFFAOYSA-N 262.422 3.644 30 20 CHED CC(=O)c1ccc(COc2cc(Cl)cc(C#N)c2)cc1 1307350701 VJNWNJMIMIICIY-UHFFFAOYSA-N 285.730 3.993 30 20 CHED Cc1ccc2[nH]cc(CCNc3snc(C)c3C#N)c2c1 1307230817 AFWAUQKUAFSQEX-UHFFFAOYSA-N 296.399 3.768 30 20 CHED CC[C@H](NCc1cccc(F)c1C#N)[C@H]1CC1(C)C 1308825257 XGBDTKYVRWHJNJ-HIFRSBDPSA-N 260.356 3.612 30 20 CHED Cc1ccnc(N(C)[C@@H](C)CSc2ccccc2)c1C#N 1163675821 MGCZHNZZZQCFAJ-AWEZNQCLSA-N 297.427 3.879 30 20 CHED C[C@H](NC(=O)N1CCC(C)(C#N)CC1)C1CCCCCC1 1233900852 HEGLXACTBKVORU-AWEZNQCLSA-N 291.439 3.681 30 20 CHED N#Cc1ccc(-c2nnc(/C=C\c3cccs3)o2)cc1 1329207102 OHWFCBHYPHANDM-FPLPWBNLSA-N 279.324 3.840 30 20 CHED N#Cc1cc(-c2nc(CC3CCCCC3)no2)cs1 1325316825 WPCQVWCTXCIGGQ-UHFFFAOYSA-N 273.361 3.793 30 20 CHED CC1(C)CN(C(=O)C[C@@H](CC#N)c2ccccc2)C1(C)C 1324988533 PYPNLQBYZVQSEZ-OAHLLOKOSA-N 284.403 3.721 30 20 CHED N#C[C@@H](OC(=O)CCNc1ccccc1)C1CCCCC1 1323476910 PGPFVAKRKYQMGM-MRXNPFEDSA-N 286.375 3.504 30 20 CHED Cc1cc(CNC[C@H]2CCCC2(C)C)ccc1C#N 1656300045 KPIQYYMGJLKVJJ-MRXNPFEDSA-N 256.393 3.783 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCC3)COc2c(F)cccc21 1322089256 LVILYEUKOBWQTD-XNTDXEJSSA-N 294.325 3.973 30 20 CHED CC(C)(C)c1ccc(NN=Cc2sccc2Cl)nn1 1256048968 VEMQDNRPCDJWRK-UHFFFAOYSA-N 294.811 3.935 30 20 CHED CCC1(CC)CCC(NCc2cccc(C#N)n2)CC1 1657954112 NICBNAAEBRACSG-UHFFFAOYSA-N 271.408 3.792 30 20 CHED C#CC1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 1332452992 RRQAIYFJLNNZMA-UHFFFAOYSA-N 299.805 3.575 30 20 CHED Cc1ncsc1COc1nc(C(C)(C)C)ccc1C#N 1336922735 NURKAGLYAPWNNM-UHFFFAOYSA-N 287.388 3.595 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1cc(C)sc1C 1335650810 RDLNBXWPZBBYDS-NSHDSACASA-N 251.395 3.898 30 20 CHED C=C(C)CCC(=O)Nc1cnc(C(F)(F)F)cc1C 1340743854 GCKOVXODXUOPME-UHFFFAOYSA-N 272.270 3.704 30 20 CHED N#CC1(CC(=O)N[C@H]2C[C@@H]2C2CCCCC2)CCCCC1 1435332634 KWRJIUPFMYNWJZ-CVEARBPZSA-N 288.435 3.936 30 20 CHED C=C(CC)C(=O)NCc1sc(-c2ccccc2)nc1C 1352402964 WYHDUZHFDPOYGB-UHFFFAOYSA-N 286.400 3.701 30 20 CHED C[C@@]1(CNc2cccc(C#N)n2)CCCc2ccccc21 1458302641 IGFNGTRGEKYLNH-SFHVURJKSA-N 277.371 3.659 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)ccn1 1527466270 DJBROVKWOVGUII-CABCVRRESA-N 299.418 3.536 30 20 CHED COc1cc(NC(=O)c2ccc(C)cc2C)c(F)cc1C#N 1461824111 BJVXWASEUIPODW-UHFFFAOYSA-N 298.317 3.575 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)CSc1ccccc1 1538447559 IVBQRLKWHVQWDW-ZIAGYGMSSA-N 290.432 3.565 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2ccsc2C#N)c1 1530445625 RPRNHVNFOPYBFI-GFCCVEGCSA-N 284.384 3.728 30 20 CHED CC(C)c1ccccc1C(=O)Nc1cc(CC#N)ccn1 1543939457 NIJNUMJSCTVWCN-UHFFFAOYSA-N 279.343 3.523 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 1623025539 PQLPHYUWQQBNBE-RYUDHWBXSA-N 289.354 3.645 30 20 CHED CCC(CC)Nc1c(C#N)cnc2c(OC)cc(OC)cc12 1559052626 ZWKOAOOEKHSVCM-UHFFFAOYSA-N 299.374 3.724 30 20 CHED Cc1cc(N[C@@H]2CCC[C@@H]2C(C)(C)C)ncc1C#N 1559209506 DDHSVVVXLWALNU-UONOGXRCSA-N 257.381 3.888 30 20 CHED Cc1cccc(CSc2ccc(C#N)c(C)c2)n1 1559429971 PTESZMNPBCVBJI-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CC(C)[C@@H](CN1CCC[C@H](C#N)C1)c1ccccc1 1621519762 ZWAYDTBFUBCRKO-NVXWUHKLSA-N 256.393 3.662 30 20 CHED N#CC[C@@H](O)CN(CC1CCCCC1)CC1CCCCC1 1559497246 PAQOXPJNRMRRFB-GOSISDBHSA-N 292.467 3.724 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(C)cc(C)n1 1559578833 UOOMFCRDRVOEND-UHFFFAOYSA-N 273.424 3.850 30 20 CHED CC#CCCNCc1cc(Br)c(Cl)s1 227855672 WXMPHJVNIXBFIT-UHFFFAOYSA-N 292.629 3.667 30 20 CHED CC(=O)c1ccc(N(C)Cc2ccc(F)cc2C#N)cc1 1644301704 LLXDCQTWMNUYTE-UHFFFAOYSA-N 282.318 3.536 30 20 CHED N#Cc1ccc(F)c(Cn2cnc(-c3ccccc3)c2)c1 1641418813 PGZMMRDRNXFNKV-UHFFFAOYSA-N 277.302 3.609 30 20 CHED CSc1cc(Cl)ccc1NC(=O)c1c[nH]c(C#N)c1 1641238416 MTSJFJTUJVALKD-UHFFFAOYSA-N 291.763 3.514 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)Nc1n[nH]c(C)c1C#N 1584800829 PPVRLJCKYGOVJE-CYBMUJFWSA-N 288.395 3.525 30 20 CHED C#Cc1ccc(N[C@@H]2CC[C@@H](CC(=O)O)[C@H]2C)c(Cl)c1 1588517899 JABDVCWCAJQHGR-SCDSUCTJSA-N 291.778 3.623 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)Nc1sccc1C#N 1671450158 XXPGVMBYWCOBHO-UWVGGRQHSA-N 277.393 3.566 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(=O)O)c(F)c2)cs1 1777418493 OCLLQYOMGMNAOI-HYXAFXHYSA-N 290.315 3.790 30 20 CHED CC(C)(C#N)CCCOc1cc(Cl)ccc1C#N 161665956 JGYRMIVSUNOQRE-UHFFFAOYSA-N 262.740 3.920 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)c1cccs1 165204428 RGSHIJIURHUJRA-GFCCVEGCSA-N 256.374 3.779 30 20 CHED CC[C@@H](CC(=O)N(CC)c1ccc(C#N)cc1)C(C)C 152293115 LRWTYFHUELUNNL-HNNXBMFYSA-N 272.392 3.983 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)c1ccc(C#N)c(Cl)c1 157574771 CBDLNMXUZINAAT-NEPJUHHUSA-N 290.794 3.862 30 20 CHED CC(C)(CCC#N)CNc1ccc(NC(=O)C2CC2)cc1 155843124 CTTIYNDASIDKGO-UHFFFAOYSA-N 285.391 3.777 30 20 CHED CC(C)CCN(CCC#N)CCCCC(F)(F)F 154865287 JHRAOMYDDRAAFP-UHFFFAOYSA-N 264.335 3.981 30 20 CHED CC[C@@H](C)CS[C@@H](C)C(=O)Nc1ccccc1C#N 124237865 JBBVLOTYRFAQAR-NEPJUHHUSA-N 276.405 3.665 30 20 CHED C#Cc1ccc(CN[C@H](C)Cc2ccc(C)s2)cc1 809621489 GZBZQZSTMPXIKX-CYBMUJFWSA-N 269.413 3.759 30 20 CHED C[C@@H]1CN(c2c(C#N)cnc3ccccc23)CC[C@H]1C 252727138 ARLINZJITCZJBB-CHWSQXEVSA-N 265.360 3.589 30 20 CHED CCN(Cc1cccc(C(F)(F)F)c1)C[C@@H](C)C#N 42287589 ZGHYZRUWDNLCRZ-NSHDSACASA-N 270.298 3.687 30 20 CHED C[C@H](N[C@@H]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 37211363 ZDZGJPMOGNNHJI-JKIFEVAISA-N 272.392 3.818 30 20 CHED COc1csc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 176494893 DRKIXZMSYHGRBT-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1)C[C@](C)(O)CC 189481488 RCPCPCHNTSFAJI-GOSISDBHSA-N 289.419 3.533 30 20 CHED C=CCC1(NCCOc2ccccc2OC)CCCC1 661849390 UDLJFZWTKJACDI-UHFFFAOYSA-N 275.392 3.553 30 20 CHED C[C@@H]1SCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 311815756 DEARWVPHZBCBOH-QPUJVOFHSA-N 286.322 3.883 30 20 CHED N#Cc1cccc(CNCc2cscc2Cl)c1 610930461 KTWBRCBPBYZOIN-UHFFFAOYSA-N 262.765 3.563 30 20 CHED N#Cc1ccc(F)c(CNC(C2CCC2)C2CCC2)c1 324791202 LRNGQJYFAFMJOW-UHFFFAOYSA-N 272.367 3.756 30 20 CHED C=CCCCN[C@@H](CC)c1ccc(OC)c(OC)c1 336806534 ASKQOMYVOUTYAX-AWEZNQCLSA-N 263.381 3.711 30 20 CHED Cc1cc(N2CC[C@H](C3CCCCC3)C2)c(C#N)cn1 708821963 MTTTWGFGVCDCGE-HNNXBMFYSA-N 269.392 3.668 30 20 CHED Cc1ccc(Br)cc1N[C@H]1CC[C@@H](C#N)C1 381429177 AYESPISTDDMOOY-PWSUYJOCSA-N 279.181 3.862 30 20 CHED CSc1ccccc1[C@@H](C)N=c1cc(C)[nH]c(C#N)c1 557685370 BENFYYQUPHBRDR-GFCCVEGCSA-N 283.400 3.579 30 20 CHED CCCN(CC#N)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 108785123 TUBUEIUAWQEGKQ-MSOLQXFVSA-N 292.382 3.705 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc(C)cc1C 54369011 VRLDRZXWTGNRKC-UHFFFAOYSA-N 259.393 3.661 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(C)c([N+](=O)[O-])c1 50429921 WJFXRHIHMDXDSW-UHFFFAOYSA-N 281.315 3.695 30 20 CHED CCCCCCCCC(=O)NCCc1c(C)noc1C 107173146 LUKRCJYRWVEGEV-UHFFFAOYSA-N 280.412 3.701 30 20 CHED CC(C)(C#N)CCCSCc1nccn1C(F)F 178398528 AILUYKUOVNWDMF-UHFFFAOYSA-N 273.352 3.841 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1[C@H]2CCC[C@H]12 178230468 AFKIMCLKZALIKV-GJZGRUSLSA-N 261.409 3.627 30 20 CHED C=CCCCSc1nnc(Cc2ccc(OC)cc2)o1 117546510 IIHOFQJKOKTZHR-UHFFFAOYSA-N 290.388 3.727 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 347082000 XLGCPJIDYRFYDH-VIFPVBQESA-N 297.185 3.644 30 20 CHED N#Cc1cc(F)ccc1COc1c(F)c(F)cc(F)c1F 170852283 DIGFDNBCMKESNM-UHFFFAOYSA-N 299.198 3.833 30 20 CHED CC1CCC(N(C[C@H]2CCCO2)c2ncccc2C#N)CC1 301362455 OQMLWJQYHLUQKM-BDVYOWHSSA-N 299.418 3.517 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 175099526 ACYCJZZRMHOREK-BBRMVZONSA-N 294.354 3.749 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccn(C(C)C)n1 172012986 LNSLBTDCQAPEJC-UHFFFAOYSA-N 296.418 3.746 30 20 CHED C[C@@H](CN(C)C(=O)Nc1ccc(C#N)cc1)c1ccccc1 67014494 YJZAJRZMEANUPW-AWEZNQCLSA-N 293.370 3.826 30 20 CHED C=CCOc1cccc(NC(=O)CC[C@@H]2CCCCO2)c1 110246324 VDQHSAUTUJYYQP-HNNXBMFYSA-N 289.375 3.539 30 20 CHED N#Cc1ccc(CSc2ncnc3ccccc23)c(F)c1 29827150 FORPDYPKSWNJQU-UHFFFAOYSA-N 295.342 3.933 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccnc1Sc1ccccc1 116855917 RXGGBWGXUXYWPI-CYBMUJFWSA-N 298.411 3.927 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1F 171733971 DXHGPCLYVPXUGK-AWEZNQCLSA-N 298.361 3.887 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccc(O)cc1 120631125 AAVBPYMNHXUZAG-LZCJLJQNSA-N 260.239 3.567 30 20 CHED C=CCN(CCc1ccccc1)Cc1noc(CCCC)n1 65959249 DTKUSXPATXYYPH-UHFFFAOYSA-N 299.418 3.643 30 20 CHED C=CCOc1ccc(OCC(=O)Nc2ccccc2C)cc1 174232956 IZIMIXNBRBIQTA-UHFFFAOYSA-N 297.354 3.577 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(CC#N)cc1 69570951 NCSTWDMRZCEHMK-GFCCVEGCSA-N 283.331 3.571 30 20 CHED C[C@H]1CC[C@H](CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 177579182 BNDRAEJUDDLEJH-YOEHRIQHSA-N 296.414 3.876 30 20 CHED N#Cc1csc(C(=O)Nc2ccccc2Cl)c1 176810720 SAKKGOXYPLLUNB-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=CCCCCNC(=O)c1ccc(F)c(Cl)c1 471715990 VOVWANUWHXJTIK-UHFFFAOYSA-N 255.720 3.565 30 20 CHED CC#CCCCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 184495450 QVWVVOWJHCMBLI-UHFFFAOYSA-N 285.174 3.708 30 20 CHED COc1ccc(C#N)cc1CSCc1ncc(C)s1 180011814 CXNJZTIWGAUEIY-UHFFFAOYSA-N 290.413 3.765 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cc(F)cc(Cl)c2)C1 185737500 FCDGIIIZIWNGPS-SKDRFNHKSA-N 252.720 3.973 30 20 CHED CCN(CCCSCC#N)c1ccc(C)cc1C 72515116 KLMLJTHIYHKWRE-UHFFFAOYSA-N 262.422 3.777 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](C)c1cccc(C)c1 188445958 XLJKIYDNPBTADR-WMLDXEAASA-N 259.393 3.817 30 20 CHED N#Cc1ccc(CC(=O)Nc2cccc3c2CCCC3)cc1 315720772 HYFPJGAUETUZSD-UHFFFAOYSA-N 290.366 3.618 30 20 CHED COc1cccc2c(NCC(C)(C)CC#N)ccnc12 413408836 NFVWMMJNEPWZKB-UHFFFAOYSA-N 269.348 3.595 30 20 CHED CCC[C@@H](C)N(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419636750 KDFNIUXAQFEMMB-DYVFJYSZSA-N 299.418 3.766 30 20 CHED C=CCc1ccc(OC(=O)[C@H]2CC=CCC2)c(OC)c1 70730517 HZWNKTBQMNGDNU-AWEZNQCLSA-N 272.344 3.685 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2ccccc12)c1ccccc1 71846222 OXBZVQXHYOASKA-UHFFFAOYSA-N 290.366 3.930 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CC(F)F 412845756 VYSMRYTWPGTCOG-GXTWGEPZSA-N 281.346 3.581 30 20 CHED COC1(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CCCCC1 187654660 NDZYVQGAXUKZHQ-ZDUSSCGKSA-N 287.359 3.512 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1-c1ncco1 128470096 MHXIXIOSHAMRNS-UHFFFAOYSA-N 295.342 3.673 30 20 CHED C=CC1CCN(C(=O)Cc2cccc(C3CC3)c2)CC1 412099185 POYKMCZLKSVKHA-UHFFFAOYSA-N 269.388 3.531 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OC)c(Cl)c1 187806869 ZQIIFGPWJRIBQY-HNNXBMFYSA-N 297.782 3.516 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC)c(F)c1 182917717 LUFZLFBFQIBJSQ-LLVKDONJSA-N 280.343 3.701 30 20 CHED N#CC1(CCOc2ccc3c(c2)OCO3)CCCCC1 418807085 YYPSIQGSQFORJW-UHFFFAOYSA-N 273.332 3.658 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)cn1 184268365 BXVKRGNPZYMETJ-UHFFFAOYSA-N 287.388 3.672 30 20 CHED N#CCN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 180769331 XUUSCVVAWUKBAH-MRXNPFEDSA-N 270.763 3.737 30 20 CHED Cc1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccc(C#N)cc1 37509047 QSQDCGRAKUFYCV-GFCCVEGCSA-N 281.315 3.948 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(OCC#N)cc2)c1 33476755 KJMHMNNQTPHFBA-YHYXMXQVSA-N 277.323 3.794 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 183262808 IWMNCGSKIORFQE-NEPJUHHUSA-N 275.396 3.735 30 20 CHED C=CCN(C(=O)CC[C@@H]1CC[C@H](C)O1)c1ccccc1 74241115 BDJIJGALBNXMOD-HOCLYGCPSA-N 273.376 3.553 30 20 CHED CC(C)N(C)C[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 314890549 HSSWXKQYGDQUJL-LLVKDONJSA-N 299.340 3.718 30 20 CHED COc1ccccc1SCc1cccc(C#N)c1 41030572 LTLSHBJZAFKXTE-UHFFFAOYSA-N 255.342 3.859 30 20 CHED Cc1cc(C#N)cc(NC2CCN(C(C)(C)C)CC2)c1 449760219 MVGBBKSQPWGLBF-UHFFFAOYSA-N 271.408 3.542 30 20 CHED C[C@@H]1CCC[C@@H]1NCc1ccccc1C(C)(C)C#N 501923856 SZECMCQDEGOPNC-CJNGLKHVSA-N 256.393 3.766 30 20 CHED C[C@@H](SC/C(O)=N/C1CCCCCC1)c1cnccn1 329810552 QUAQLHBVRMRBJS-GFCCVEGCSA-N 293.436 3.950 30 20 CHED CCCCCCC[S@](=O)Cc1nc(C(C)(C)C)no1 133047566 LTQVSGVPNASNCD-LJQANCHMSA-N 286.441 3.586 30 20 CHED CC#CCCCC(=O)N(C)Cc1ccc(OC)c(Cl)c1 412797724 OVEYHFRBAFYLCZ-UHFFFAOYSA-N 293.794 3.501 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1sccc1Cl 194328884 NQRLXWYXHDADGP-UHFFFAOYSA-N 276.792 3.905 30 20 CHED C[C@@H]1C/C(=C/c2cn(C(C)(C)C)nn2)C(=O)c2ccccc21 191328531 HVMOPNRAKRMSPC-YGYTWAPGSA-N 295.386 3.807 30 20 CHED COC1CCC(CC/N=C(/O)NC2CCCCCC2)CC1 329665128 KGJHTTBZHSMFIE-UHFFFAOYSA-N 296.455 3.808 30 20 CHED CC1(C)Oc2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2O1 193158336 KOUYDHJMTBFTGG-RYUDHWBXSA-N 272.348 3.688 30 20 CHED O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 88305063 NLUGUECCGSEMTM-AATRIKPKSA-N 289.237 3.769 30 20 CHED CC(C)N(C)c1ccc(/C=C/C(=O)c2ccsc2)cn1 191289254 HQBAPDPDOJLUPT-GQCTYLIASA-N 286.400 3.884 30 20 CHED CN(CCC#N)C(=O)Nc1ccccc1-c1cccs1 426570074 HYNFBGHXBXBASX-UHFFFAOYSA-N 285.372 3.792 30 20 CHED N#Cc1cccnc1Nc1ccc(Cc2ccncc2)cc1 194902855 KUYMCVGDRQXEBG-UHFFFAOYSA-N 286.338 3.683 30 20 CHED Cc1cccc(C)c1CN(CCC#N)Cc1ccco1 176294386 VUDKDWIMYPQZBS-UHFFFAOYSA-N 268.360 3.812 30 20 CHED Cc1cccn2c(CNc3ccc(Cl)c(C#N)c3)cnc12 191836824 OBMYLQSCRKXOGD-UHFFFAOYSA-N 296.761 3.780 30 20 CHED CCC(CC)(CC)C(=O)Nc1ccc(C#N)c(C#N)c1 610757729 QFLTVGUTYANYPD-UHFFFAOYSA-N 269.348 3.585 30 20 CHED CC[C@H]1CC[C@H](/C(O)=N/Cc2nnc(C3CC3)o2)CC1 329477184 BVJIFAQWCIEWMZ-XYPYZODXSA-N 277.368 3.620 30 20 CHED CCC(C)(C)CNCc1ccc(O[C@H](C)C#N)cc1 192352596 LZVZWAUWZDMIHA-CYBMUJFWSA-N 260.381 3.503 30 20 CHED N#CCN(Cc1cscc1Cl)C1CCCC1 611272702 LFLGQXFJVBIKII-UHFFFAOYSA-N 254.786 3.670 30 20 CHED C=CCCCCCSc1nncn1C(C)(C)C 195440382 NKNMOLUQBWCMCG-UHFFFAOYSA-N 253.415 3.872 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(OCC(C)C)c1 429814172 UHLHZIAXKUIXHB-UHFFFAOYSA-N 289.419 3.940 30 20 CHED C=C(CNC(=O)N1C[C@H](C)CC(C)(C)C1)c1ccccc1 512681904 RPOOEIGNHBLSRB-CQSZACIVSA-N 286.419 3.777 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2N[C@@H]2CC[C@H](C#N)C2)cc1 424320267 FYZGOKGWRJHQLL-HPBDAGMYSA-N 268.404 3.913 30 20 CHED N#CCCCSCCCOc1ccc(F)cc1 190888140 KSJDYPLVFUZUGQ-UHFFFAOYSA-N 253.342 3.632 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(c2cc(C#N)ccn2)C2CC2)o1 339974031 QTOYUEQGHSSHAD-WBMJQRKESA-N 293.370 3.839 30 20 CHED CCc1ccc(CNCc2ccc(C#N)s2)s1 176947923 VXZYPTBHSOHFGV-UHFFFAOYSA-N 262.403 3.533 30 20 CHED CC(C)(C#N)CCCCSCc1nc(C(F)F)no1 424147399 CQTIPYDIZJLEJB-UHFFFAOYSA-N 289.351 3.960 30 20 CHED Cc1cc(-c2noc(-c3ccc(C#N)s3)n2)cc(C)c1O 235988210 GLOCUQPCJVOWNO-UHFFFAOYSA-N 297.339 3.659 30 20 CHED C#CCCCCN[C@H](C)[C@H](C)c1ccc(OC)cc1 90397964 MNEQLQNOGDNWMF-LSDHHAIUSA-N 259.393 3.580 30 20 CHED N#Cc1csc(C(=O)N2CCC=C(c3ccccc3)C2)c1 335289682 MDWAOCGUWCKXFB-UHFFFAOYSA-N 294.379 3.549 30 20 CHED CCC[C@H](NCC1(CC#N)CC1)c1ccc(OC)cc1 430741782 NELAFIKKOCMZLY-INIZCTEOSA-N 272.392 3.820 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc2ccc(O)cc12 436158448 YXDWLRKCWWENDR-UHFFFAOYSA-N 292.294 3.571 30 20 CHED CC(C)CC1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCC1 333595900 UHOBOYCOWDCXQS-SFHVURJKSA-N 288.435 3.793 30 20 CHED Cc1ccc2c(c1)nc(-c1ccc(C#N)c(C)c1)n2C 435697369 NBTFVHNXOCIIDB-UHFFFAOYSA-N 261.328 3.729 30 20 CHED Cc1ccc(C[C@H](NCC2(CC#N)CC2)C2CC2)cc1 430734105 KVIRPYDEMXBTNW-KRWDZBQOSA-N 268.404 3.600 30 20 CHED C[C@@H]1[C@@H](NC(=O)[C@H](C#N)CCc2ccccc2)CCC[C@H]1C 331203500 RJNTYVNHDFIDKU-FZCLSBEQSA-N 298.430 3.700 30 20 CHED Cc1cccc(C2(C(=O)NCC(C)(C)C#N)CCCCC2)c1 330832242 SKNJRWRUNSEJNT-UHFFFAOYSA-N 298.430 3.863 30 20 CHED CC#CCN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 341607666 WFUAAXLFAAGPJZ-LBPRGKRZSA-N 270.401 3.792 30 20 CHED Cc1ccccc1-c1noc([C@H](C)N(C)CC(C)(C)C#N)n1 433297011 KCFZRSSOTCFQDA-ZDUSSCGKSA-N 298.390 3.588 30 20 CHED C=CC[C@@H](C)NCc1ncc(Cl)cc1Br 527663060 YCTZOSWPKTUQHK-MRVPVSSYSA-N 289.604 3.552 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCc2ccc(Cl)cc21 435674129 PUAMKNDVHNOEPT-XKQJLSEDSA-N 291.822 3.898 30 20 CHED Cc1ccc2c(c1)[C@H](NCC1(CC#N)CC1)[C@H](C)C2 348378580 JSLPQPBZPOVEMF-CZUORRHYSA-N 254.377 3.512 30 20 CHED C=CCC[C@H](C)NC[C@@H]1CCCN1C1CCCCC1 436289195 MEACUJSBFKVAND-RDJZCZTQSA-N 264.457 3.728 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(C#N)ccc1Cl 349203825 VBKFRMMOQYRUJC-IAQYHMDHSA-N 290.794 3.862 30 20 CHED CN(C(=O)C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1C#N 341489703 RDYKLVNJRMEORX-IRXDYDNUSA-N 290.366 3.715 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(C)n(C)c1C 346481236 PLKVHVOZUCWUEB-UHFFFAOYSA-N 296.414 3.513 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2C3)cc1 529346879 ATCCWMXARVYEPJ-BXWFABGCSA-N 299.414 3.694 30 20 CHED Cc1cc(N2CCC(F)(C#N)CC2)c2cc(F)ccc2n1 343218760 CIJQREMZCLNSLG-UHFFFAOYSA-N 287.313 3.514 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 245945044 NMGQUZAQZJTYRA-SQWLQELKSA-N 287.407 3.765 30 20 CHED CCN(Cc1ccc(O[C@H](C)C#N)cc1)[C@H](C)C(C)C 245571810 YBMYVKQRJGGPFB-HUUCEWRRSA-N 274.408 3.844 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1F)c1cccs1 49530755 LNQKPPJTDXHUFI-AWEZNQCLSA-N 274.364 4.000 30 20 CHED CCN(C(=O)[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 347063842 HTZDXPSPZPQRAR-VXGBXAGGSA-N 270.332 3.502 30 20 CHED N#C[C@@H](Sc1ncnc2sc3c(c12)CCC3)C1CC1 601069055 KEJCXXZNGLUAHC-LLVKDONJSA-N 287.413 3.574 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1cc(C#N)cc(C)n1 342937762 ITNOYURXCRSGDY-YVEFUNNKSA-N 299.349 3.589 30 20 CHED Cc1ccc(C=NOCc2cc(-c3ccco3)on2)cc1 255629833 WGTUEJRXSQPGBD-UHFFFAOYSA-N 282.299 3.794 30 20 CHED C[C@H]1[C@H](C2CC2)[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 527871731 SIEPEHLGXUVFCK-IUIKQTSFSA-N 282.387 3.718 30 20 CHED CC(=O)Nc1ccc(OCc2ccc(C#N)c(C)c2)c(F)c1 447325791 LVJPIVKPQXKFJL-UHFFFAOYSA-N 298.317 3.543 30 20 CHED COc1cc(CCNCc2ccc(C#N)c(C)c2)ccc1C 444004887 NROLHLMEKYYUPR-UHFFFAOYSA-N 294.398 3.516 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)C1CC1 255171126 VHOZDQSKWKGWAL-XTOZHPGHSA-N 274.389 3.799 30 20 CHED N#C[C@H](Sc1nnc(CCC2CCCCC2)o1)C1CC1 601076912 UICAYKZJTXIVCY-ZDUSSCGKSA-N 291.420 3.977 30 20 CHED CC(C)Cc1ccc([C@H](NCCC#N)C2CC2)cc1 442984456 SVSNZMHNEQIHHD-KRWDZBQOSA-N 256.393 3.839 30 20 CHED CCCCN(C(=O)c1cccc(CC#N)c1)c1cccnc1 602378935 GSVJHCDFNLWZBS-UHFFFAOYSA-N 293.370 3.595 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2cscc2Cl)C1 603168234 RMXDHGFDSIGLBD-VIFPVBQESA-N 283.784 3.559 30 20 CHED C=C(CN[C@H](c1ccccc1)c1ncc[nH]1)c1ccccc1 446826336 IGTSZQCUZGBMIE-GOSISDBHSA-N 289.382 3.802 30 20 CHED CC#CCCNCc1ccc(C(F)(F)F)cc1C 443850010 FBYGZIICFZITIQ-UHFFFAOYSA-N 255.283 3.517 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H](CC(F)(F)F)C1 602697714 LIVBTHALZGCZCU-RYUDHWBXSA-N 262.319 3.591 30 20 CHED Cc1ccc(C[C@H]2CCCN2C(=O)C2(C#N)CCCC2)cc1 264905375 PPIKWJULWBLPNZ-QGZVFWFLSA-N 296.414 3.613 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 354112341 XMGPBOBXSKKLOI-TZMCWYRMSA-N 285.391 3.755 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@@H](OCC)C23CCCC3)CCC1 359407733 AIJUPGPJBBGLOD-LSDHHAIUSA-N 291.435 3.587 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC=C(C(F)(F)F)CC1 537262321 DADSFAWYIXMOBU-NSHDSACASA-N 290.329 3.635 30 20 CHED CCC[C@@H](OC)c1noc(C[C@H](CC#N)c2ccccc2)n1 351140839 ZALFWOMPVCTZGV-LSDHHAIUSA-N 299.374 3.797 30 20 CHED CC(C)[C@H](NCCOc1cccc(C#N)c1)c1ccccc1 533224322 AYGGWEGMFYRHPM-IBGZPJMESA-N 294.398 3.924 30 20 CHED CC1CC(C#N)(C(=O)NC2CCC(c3ccccc3)CC2)C1 531557276 PWCPFHLACSFYHB-UHFFFAOYSA-N 296.414 3.769 30 20 CHED C=C(CC)CSc1nnc(-c2ccc(OC)cc2)o1 536906455 SLYSNWOPIVBPRB-UHFFFAOYSA-N 276.361 3.804 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(SC)ccc1Cl 617360266 UNQKNIFNLJRIEB-MFKMUULPSA-N 297.807 3.592 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)c1F 611372446 BLYBMKOODWJLPP-QGZVFWFLSA-N 296.345 3.740 30 20 CHED CCC(C)(C)CCN1CCC[C@]2(CCCCO2)[C@@H]1C#N 447908761 VKWJYSLWSIKNGS-DOTOQJQBSA-N 278.440 3.740 30 20 CHED COCc1ccccc1/C=C(/C)CNCC1(CC#N)CC1 353293177 ZSBDJTZLZWJWII-PTNGSMBKSA-N 284.403 3.520 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 612406119 INUHMRQEMOADBN-OAHLLOKOSA-N 298.308 3.553 30 20 CHED C=CCC[C@H](CC)Nc1ccc(N2CCNC2=O)cc1C 442962849 FRTPWCUQXCKFFT-AWEZNQCLSA-N 287.407 3.681 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(C)c(C)c1 618164451 SXKNCXNTRMQCBW-QGZVFWFLSA-N 259.393 3.564 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(F)c1C 537200284 JOIDRDURDPDPFT-UHFFFAOYSA-N 279.355 3.836 30 20 CHED C=C(CC)CNc1cccc(OC[C@H]2CCCO2)c1 536882661 UCVNEQUTBCRZRV-MRXNPFEDSA-N 261.365 3.623 30 20 CHED CC#CCCCC(=O)Nc1cccc2c1OC(C)(C)C2 530394784 FYVUGKPQESBBQP-UHFFFAOYSA-N 271.360 3.532 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1ccc(CC#N)cc1 534624457 ZMVXNZOJTFDPCJ-UHFFFAOYSA-N 294.354 3.712 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)NCCCCC#N 537022767 YGPJDQSTZKTTSB-CQSZACIVSA-N 260.381 3.818 30 20 CHED CCC[C@]1(COC)CCCN1Cc1ccc(C#N)cc1C 618550670 VAVZIRVSZDXKHD-GOSISDBHSA-N 286.419 3.648 30 20 CHED N#Cc1cnc2c(F)ccc(F)c2c1N1CCCCCC1 610245111 TXZXCHMKCLEWIG-UHFFFAOYSA-N 287.313 3.765 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)N(C)C1CCCCC1 536882818 XACCGSKEVNFWNQ-ZDUSSCGKSA-N 269.454 3.865 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)ccc1SC 362679828 NDZZCNAKKLVOBS-QMMMGPOBSA-N 270.785 3.758 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2c[nH]c3c(C)cccc23)C1 617783350 YMXXQXIZEKTILA-OAHLLOKOSA-N 296.414 3.834 30 20 CHED C=CCCN(C)C(=O)c1ccc(CCC(F)(F)F)cc1 276335064 FFXDCTNLNMRZMF-UHFFFAOYSA-N 285.309 3.830 30 20 CHED C=CCC1(C(=O)NC[C@@]2(C)CCCC[C@H]2O)CCCCC1 450088970 QQXKQEVPEXZLJP-NVXWUHKLSA-N 293.451 3.570 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@@H]2CCO)c(C(F)(F)F)c1 274995060 FJBVBZBWIAXWPC-YPMHNXCESA-N 298.308 3.540 30 20 CHED C[C@H](C#N)CNC[C@H](C)Cc1ccc(C(C)(C)C)cc1 543624570 ULCHFIIRCYMDDU-HUUCEWRRSA-N 272.436 3.912 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)CCC 615612560 PRVKKJRYKXTUFO-AWEZNQCLSA-N 290.407 3.581 30 20 CHED CC[C@@H](NCC1(C#N)CC1)C(C)(C)c1ccccc1 540520267 FADOHVDMOFROHZ-OAHLLOKOSA-N 256.393 3.636 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)cn2)CC1 548052207 DIQJZAOBZLCDLG-CABCVRRESA-N 299.418 3.678 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCc2nc(C)cs2)c1 456969866 QXVBRSXVYVODAC-UHFFFAOYSA-N 299.399 3.593 30 20 CHED C=CCCCC(=O)NCc1cc(C2CC2)ccc1F 452302681 GCCYNONCCBBEAM-UHFFFAOYSA-N 261.340 3.676 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CCC)c1ccsc1 453355220 NQZLBFUCJNCIDW-ZNMIVQPWSA-N 265.422 3.913 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@H](C2CC2)C1 362394696 AZTOFJVPFPAVRA-AWEZNQCLSA-N 287.428 3.837 30 20 CHED CC#CC(=O)Nc1ccc(Br)cc1C(C)C 278413411 PVIZVSZWPPHGNW-UHFFFAOYSA-N 280.165 3.534 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1ncc(-c2ccccc2)o1 544471240 MPQZWRMVDHBJSF-ZDUSSCGKSA-N 283.375 3.932 30 20 CHED Cc1nc2c(OCCCC(C)(C)C#N)cccc2o1 275922027 UJCNPUBUVNNWLY-UHFFFAOYSA-N 258.321 3.845 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 459088821 XXUBLVPQRQOKCG-HNNXBMFYSA-N 286.419 3.963 30 20 CHED C=C(C)Cn1c(-c2ccccc2C)nnc1N(C)CCC 549270695 JZFXHMYJIOGXDK-UHFFFAOYSA-N 284.407 3.676 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1c1ccc(C#N)cn1 450598975 JYEAWTFQTAEMDP-JKIFEVAISA-N 277.371 3.724 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](NCc2cccc(C#N)c2)CS1 277271315 PTHOFAWHXZLSQI-CABCVRRESA-N 274.433 3.568 30 20 CHED C=CCC[C@H](C(=O)N1CCC2(CCO2)CC1)c1ccccc1 374428637 JKHVZBVWTDCTDN-KRWDZBQOSA-N 299.414 3.518 30 20 CHED C=CCC[C@H](C)NCc1cccc(CN(C)C(C)C)c1 542666302 XHAKNGPFQCUWIF-INIZCTEOSA-N 274.452 3.971 30 20 CHED C=CCC[C@H](NCCCCn1ccnc1C)c1ccco1 276423665 HPXPDEIJSSMSJO-INIZCTEOSA-N 287.407 3.862 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1c(C)cccc1C 466250954 NFFLDKNXPSWOAM-HNNXBMFYSA-N 257.377 3.674 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2cc3ccccc3o2)no1 275411938 GFEUGMDSZFBYGJ-QGZVFWFLSA-N 298.342 3.963 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)s1 540895561 PRPMELUXDCAIFF-BDJLRTHQSA-N 296.395 3.673 30 20 CHED CCC[C@@]1(C)CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 463066965 CCNWSNBTOGIELJ-INIZCTEOSA-N 287.363 3.873 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@H]1NCCc1cccc(C#N)c1 467442135 KBKONONOIOPGEV-DJJJIMSYSA-N 294.373 3.763 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 462191889 VBPCJDYZAQMYOP-MELADBBJSA-N 272.392 3.603 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccc(F)c(C)c1 466394743 FCVGISPJACQDMQ-CQSZACIVSA-N 278.371 3.630 30 20 CHED CC#CCCCc1nc(C2(c3cccc(OC)c3)CC2)no1 289225045 VXAAGJGNGYEMMK-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CSC[C@H]1C)c1ccccc1 552664074 RHVBJTRJWNSXJY-KBMXLJTQSA-N 289.444 3.604 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(C#N)c(F)c1 551240270 HRURKTSRPALXCU-LBPRGKRZSA-N 260.356 3.950 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H](CC(C)C)C1 466378498 NWMWZYDKIGCIJR-GJZGRUSLSA-N 266.429 3.809 30 20 CHED CC1CCC(N(C)C(=O)[C@H](C)c2cccc(C#N)c2)CC1 461739996 IDTIVTZPXSRAAV-XOYHFGRZSA-N 284.403 3.699 30 20 CHED CCC(=O)c1ccc(Cl)c(NC(=O)[C@@](C)(C#N)CC)c1 289142692 YRZNUEXPVGZFKC-OAHLLOKOSA-N 292.766 3.811 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC=C)CCc1ccccc1 466366956 NQQWRAHXCAUEQA-KRWDZBQOSA-N 286.419 3.781 30 20 CHED C=CC[C@H](CC)NC1CCN([C@@H]2CCCC[C@H]2C)CC1 467404092 JFHAKKSGGFXKPY-SOLBZPMBSA-N 278.484 3.974 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)Oc1cccc(C)c1 467989566 FFUJDMBGWKRJRE-QAPCUYQASA-N 289.419 3.871 30 20 CHED CC(C)(C#N)CCCCN1CC[C@H](n2cc(Cl)cn2)C1 289858130 LCPGUPSAFQWSOQ-AWEZNQCLSA-N 294.830 3.503 30 20 CHED C=CCC(CC=C)C(=O)N[C@](C)(C#N)C1CCCCC1 550350835 FJAYVKYTCDCACJ-QGZVFWFLSA-N 274.408 3.734 30 20 CHED Cc1nnc(N[C@@H]2CCC[C@H]2c2ccccc2)c(C#N)c1C 553231751 CKCJIOGOIBYNCO-DOTOQJQBSA-N 292.386 3.713 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N1CCc2ccc(C#N)cc21 550154177 QLNKJVVHVDMDGA-XJKSGUPXSA-N 282.387 3.664 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCCC#N 290478811 XHGVSBJGAUWTFK-MRXNPFEDSA-N 267.376 3.747 30 20 CHED C#CCCc1noc(-c2cc3ccccc3n2CCC)n1 809396515 KRLUYXHFORTBRB-UHFFFAOYSA-N 279.343 3.667 30 20 CHED C#CCC(C)(C)c1nc(-c2cccc(OCCC)c2)no1 809357863 KXEPOXZLAVCCCM-UHFFFAOYSA-N 284.359 3.826 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C=C)c1ccccc1)C(C)(C)C 807879506 CTTKASFYAUQPMI-ZBFHGGJFSA-N 269.388 3.510 30 20 CHED CN(CCSc1ccc(C#N)cc1)c1ccccc1 471255161 QGCYVUIMLKRTGY-UHFFFAOYSA-N 268.385 3.787 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC)c(OC(C)C)c1 295048626 XKYLBWYBSLBERW-UHFFFAOYSA-N 277.364 3.633 30 20 CHED CC(C)(C)CCCCC(=O)NCc1cc(C#N)ccc1F 804403442 PCHCNZJYLDKPIF-UHFFFAOYSA-N 290.382 3.920 30 20 CHED C=CCCCCNC(=O)C1(c2ccc(F)cc2F)CCC1 471719390 YAWPQASHFXIAML-UHFFFAOYSA-N 293.357 3.859 30 20 CHED C=C(C)CN(C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 470204909 BRLCPRURMGVLNV-JYRVWZFOSA-N 260.337 3.506 30 20 CHED Cc1cc(C)nc(C(=O)Oc2cc(C)c(C#N)c(C)c2C)c1 809036896 CCIGHBSCLNJVFT-UHFFFAOYSA-N 294.354 3.715 30 20 CHED CCCCCCCCC(=O)NCc1cnn2ccccc12 804445272 TUKWLTMNSVZRRF-UHFFFAOYSA-N 287.407 3.701 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)cc1)c1cccc(C2CC2)c1 565874630 YSBCDAOABCVZDS-ZDUSSCGKSA-N 290.366 3.927 30 20 CHED CCCC[C@@H](SCc1ccccc1C#N)C(=O)OC 475862302 BFOIRBWERNFGPP-CQSZACIVSA-N 277.389 3.523 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(c2ccc(F)cc2)CCC1 473184074 QIWLZVOKURFEII-KRWDZBQOSA-N 289.394 3.966 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccc(Cl)cc1)C(C)C 472772694 PCTAYBODSIOCPA-CVEARBPZSA-N 281.827 3.954 30 20 CHED CC(C)(CCC#N)CNC(=O)CCCc1ccc(F)cc1 563627880 BNLMOTGOCXZBEX-UHFFFAOYSA-N 290.382 3.595 30 20 CHED CC(=NO[C@H]1CCCCO1)c1c(F)cccc1Cl 807980971 AMARCBKRURWEHV-LBPRGKRZSA-N 271.719 3.746 30 20 CHED N#Cc1ccnc(NCCc2cc3ccccc3s2)c1 568417341 DXVPDCPWXLLDEH-UHFFFAOYSA-N 279.368 3.823 30 20 CHED C=CCCCCNC(=O)c1cnc(-c2ccsc2)s1 471706366 PTMQZSJPKVOWQX-UHFFFAOYSA-N 292.429 3.958 30 20 CHED C=CC(C)(C)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 648747826 SWOFHHVCWFBGLB-CQSZACIVSA-N 257.377 3.808 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 292831683 PDVGKXYGRCESMH-CQSZACIVSA-N 275.367 3.744 30 20 CHED C=CCC(C)(C)c1nc(COc2ccccc2F)no1 292431162 IVFNXQJPUUQBAC-UHFFFAOYSA-N 276.311 3.641 30 20 CHED CC(=NN[C@H]1CCSC1)c1ccc(-c2ccncc2)cc1 807999306 JTBUXVXINRGQNY-KRWDZBQOSA-N 297.427 3.568 30 20 CHED C[C@H]1CCC[C@H](CNC2(c3cccc(C#N)c3)CC2)C1 563967125 XPNXGFNCYDCBMR-HOCLYGCPSA-N 268.404 3.963 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@H](CCCCC)c1ccccc1 810341344 GHKUUEZXULIGMR-AEFFLSMTSA-N 289.419 3.751 30 20 CHED CC#CCN(C)C(=O)c1sc2cc(F)ccc2c1Cl 647541970 CTYHTNFUZQXOGU-UHFFFAOYSA-N 295.766 3.789 30 20 CHED C=CCCCC[C@@H](C)N[C@@H]1CCN(c2ncccc2F)C1 562654383 FUQCCMJIXBWGJF-HUUCEWRRSA-N 291.414 3.524 30 20 CHED N#Cc1cccnc1/C=C\c1ccc(F)c(C#N)c1Cl 486078177 SWDSXXIKJHLGPX-XQRVVYSFSA-N 283.693 3.788 30 20 CHED C[C@@H]1CC(=NN[C@H](C)c2ccncc2)c2ccccc21 819817514 AECNUMRIKYDTEC-CHWSQXEVSA-N 265.360 3.644 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cccc(F)c2C#N)cc1 811689181 WYVIWQYNBMRMOK-FLIBITNWSA-N 294.329 3.659 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccnc(Cl)c1 812243279 ILCKWCQHWFQPMM-DUXPYHPUSA-N 291.709 3.779 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cn1c(C)cc2ccccc21 488842820 ULUKMLFCAYELJJ-INIZCTEOSA-N 282.387 3.517 30 20 CHED C=C(C)CN(C)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 482151474 SZGQINUDISNKHF-UHFFFAOYSA-N 299.370 3.741 30 20 CHED C=CCCCNCc1cn(-c2cccc(C)c2)nc1C 651789162 CAUNZZJVSFXRLL-UHFFFAOYSA-N 269.392 3.545 30 20 CHED C=CCCCCCCCNC(=O)N(C)CC(=C)C 811926415 CMFINZFKBILUNM-UHFFFAOYSA-N 252.402 3.731 30 20 CHED C[C@H]1CN(C)c2ccccc2N(Cc2ccc(C#N)s2)C1 577146124 WLMKSFKRPYVNJC-ZDUSSCGKSA-N 297.427 3.712 30 20 CHED CC#CCCNC(=O)N(CCc1ccccc1)C1CCCC1 483422678 YCFWOQASXFPMAE-UHFFFAOYSA-N 298.430 3.597 30 20 CHED C[C@@H]1[C@H](C(=O)N2CCC(CCC#N)CC2)[C@H]1c1ccccc1 572724432 NRHPZTCTFPMOAR-QGTPRVQTSA-N 296.414 3.578 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1c[nH]nc1C 814751601 PHPVWDVKDLZBJK-UHFFFAOYSA-N 283.162 3.861 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1cc(F)cc(F)c1 815979258 XVNPTIABVPGWCD-MRVPVSSYSA-N 276.229 3.780 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1cccc(C)c1C 815630406 IIEPKJRNCCKJSG-GFCCVEGCSA-N 267.319 3.692 30 20 CHED CCc1cc(C(=O)O[C@H](C#N)C2CCCCC2)ccc1O 811304842 ATDPFCULPDTZJN-MRXNPFEDSA-N 287.359 3.584 30 20 CHED Cn1c(NN=Cc2ccc3[nH]ccc3c2)nc2ccccc21 811638050 RAVKDSGGDNOGEB-UHFFFAOYSA-N 289.342 3.501 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2(C)CCCC2)cc1 570102849 BXRCMHZRPNCZPT-HNNXBMFYSA-N 270.376 3.510 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(C)c1)c1c(C)noc1C 488300655 PLQRYDFRKWKZGF-MRXNPFEDSA-N 283.375 3.712 30 20 CHED CC1(C)C[C@@H](NN=C2CC[C@@H](c3ccccc3)C2)CCO1 814907881 BVFKQAXRVJCLOP-WBVHZDCISA-N 286.419 3.857 30 20 CHED C=CCCCCCCCN1C(=O)[C@H]2CCCCCN2C1=O 811841326 BGVRHQDIOPGCFA-OAHLLOKOSA-N 292.423 3.720 30 20 CHED CC(C)(C)c1cnc(C=NOC/C=C/Cl)s1 814934004 HVXXPHFUPWXDEW-BJQYGPDJSA-N 258.774 3.544 30 20 CHED CC(=NNCCCOc1ccccc1)c1cccs1 729148791 DUNZNRWOGXEQRK-UHFFFAOYSA-N 274.389 3.531 30 20 CHED CCC[C@H](C(=O)[C@@H](C#N)c1nc(C)cs1)c1ccccn1 810519602 IEBWMJBEPUSHDJ-QWHCGFSZSA-N 299.399 3.607 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572844209 MRWACEJORHRACO-SPUZQDLCSA-N 296.414 3.747 30 20 CHED C=CCN(CC=C)C(=O)NCC1(C)CCCCCC1 572311908 PNWRYRKHGHWFAX-UHFFFAOYSA-N 264.413 3.731 30 20 CHED CC[C@@H](CC(=O)OCCCCC#N)c1ccccc1 729020602 OTFVTRICXPFANI-AWEZNQCLSA-N 259.349 3.807 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](C)Cc1ccccc1OC 499874347 BJJGJNQJRNHLQY-OAHLLOKOSA-N 289.419 3.689 30 20 CHED C[C@@H](CCCC(F)(F)F)NCc1cc(C#N)cs1 494844216 GQJAWEZFBIAXAF-VIFPVBQESA-N 276.327 3.830 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnn(CCCC)c1CC 490061719 SKGIIEYCONRCBT-UHFFFAOYSA-N 291.439 3.578 30 20 CHED C#CCN(C(=O)Nc1ccc2oc(C(C)C)nc2c1)C1CC1 491787122 VUCUVYGVSHKOLT-UHFFFAOYSA-N 297.358 3.581 30 20 CHED C=CCSCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 492836482 NXEVWAJGSKUSQZ-CQSZACIVSA-N 291.460 3.982 30 20 CHED C[C@H]1CCCC1=NNc1ccc(OC(F)F)cc1 729145519 TWICPOMGXGKOIY-VIFPVBQESA-N 254.280 3.876 30 20 CHED CC(C)Oc1cccc([C@@H](NCC(C)(C)C#N)C(F)F)c1 903101204 CGRICKLTUWBERC-CQSZACIVSA-N 296.361 3.919 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1c(O)cccc1F 901561042 LWVMIGVHKXNFDU-FPLPWBNLSA-N 288.322 3.513 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cnn(C(C)C)c1 732714148 NCLDIBYOOCUNNZ-VURMDHGXSA-N 284.359 3.677 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 588258476 KUJWOMLVTRSIAG-OWCLPIDISA-N 276.424 3.936 30 20 CHED C(=NNc1cnnc2ccccc12)c1ccnc2ccccc12 733748215 LUWHMPKVKHEBHQ-UHFFFAOYSA-N 299.337 3.624 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccccc2OCC)C1 665174668 OUPJPBBPQJGFAY-AWEZNQCLSA-N 288.391 3.905 30 20 CHED C=C(C)COC(=O)C(C)(C)c1cccc(Cl)c1 736916949 MJDDJKQEVVTONI-UHFFFAOYSA-N 252.741 3.737 30 20 CHED N#CCc1c[nH]c2ccc(-c3cccc(C(=O)O)c3)cc12 584116423 XDDHNPYNMGXUFA-UHFFFAOYSA-N 276.295 3.599 30 20 CHED C=CCOc1ccc(C(=O)NC2[C@H](C)CCC[C@H]2C)cc1 499169314 MQPFHCBBGQUUBK-ZIAGYGMSSA-N 287.403 3.806 30 20 CHED C#CCN(C(=O)Nc1cccc2ccsc12)C1CC1 491640325 YCKOLEOLORXFML-UHFFFAOYSA-N 270.357 3.531 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 491808991 XCCSZGRVTOSPQO-CYBMUJFWSA-N 293.370 3.542 30 20 CHED CCOc1ccccc1C=NOCc1cc(C)cc(C)n1 902686174 MSPSQZICTDGVJQ-UHFFFAOYSA-N 284.359 3.648 30 20 CHED C#CCOc1ccccc1CNC[C@@H]1CCc2ccccc21 732229955 RAAJROLRBXNFDY-KRWDZBQOSA-N 291.394 3.518 30 20 CHED C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(C#N)c(F)c1 903334588 CUTNNDPFLOAQDD-KZULUSFZSA-N 295.361 3.894 30 20 CHED COc1cccc(NC(=S)NN=C(C)C2CCCC2)c1 733077721 JIVYYFKTTSCAIH-UHFFFAOYSA-N 291.420 3.548 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1CSc2ccccc21 735415246 RBZAGUTVYCNVSP-OLWAXZHHSA-N 285.368 3.667 30 20 CHED C[C@H](NN=Cc1ccc(N2CCCCC2)cc1)C(F)(F)F 834996168 OTQTUQXZFYNERD-LBPRGKRZSA-N 299.340 3.551 30 20 CHED Cc1cccc2cc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)oc12 839049105 HISVLIBWZVSULI-TZMCWYRMSA-N 283.327 3.980 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)NCC2(C#N)CC2)cc1 580393510 JFMFIVRKSBGZQQ-MRXNPFEDSA-N 297.402 3.535 30 20 CHED C=CCC[C@@H](OC(=O)[C@H]1CC12CCSCC2)C1CC1 835243529 OBZPMHSJJJJQSY-ZIAGYGMSSA-N 280.433 3.808 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccncc1F 834960482 QVPALGUOZWKACC-LBPRGKRZSA-N 251.349 3.503 30 20 CHED C#CCCOc1ccc(CN[C@H]2CCCC[C@H]2C)cc1 733321746 ITNGFDALCFNGLQ-QAPCUYQASA-N 271.404 3.757 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc2c(c1)CCO2 834875250 WAXJJZXAHPBQRP-VURMDHGXSA-N 280.323 3.526 30 20 CHED CC(C)(CCC#N)CNCc1cnc(-c2ccccc2)nc1 582807925 MPEMXMPHAAMOHA-UHFFFAOYSA-N 294.402 3.563 30 20 CHED CCc1ccc(CON=Cc2cc(OC)ccc2OC)cc1 735303217 NZSOIGKDNDAJAP-UHFFFAOYSA-N 299.370 3.817 30 20 CHED CCCCCCCNC(=O)[C@H](C)Oc1cccc(C)c1 916663168 RHYHMBDUUBKZTQ-HNNXBMFYSA-N 277.408 3.849 30 20 CHED Cc1cc(F)ccc1OC(=O)[C@@]1(C#N)CC12CCCC2 839309121 AXHIKILIOFLTLE-INIZCTEOSA-N 273.307 3.514 30 20 CHED Cc1ccc(C(=O)OCCCCC#N)cc1-n1cccc1 914620024 LIOWMFVAFOMPNQ-UHFFFAOYSA-N 282.343 3.636 30 20 CHED C=C(C)CNC(=S)N[C@@H](CCC)c1ccccc1 917051472 LFHRWLAIHWOSEL-AWEZNQCLSA-N 262.422 3.568 30 20 CHED COc1ccnc(NN=C(C)CC(C)(C)c2ccccc2)n1 915962725 WNHDYKFQOYWSDJ-UHFFFAOYSA-N 298.390 3.641 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H](C)Cc1cncc2ccccc12 839040410 NRLYUTNGUQBTFI-LSDHHAIUSA-N 295.382 3.759 30 20 CHED CC[C@@H](C)[C@@H](C)NC1CCN(Cc2cccc(C#N)c2)CC1 593701936 IBERCYHKRRHAEN-HZPDHXFCSA-N 299.462 3.547 30 20 CHED CC(C)(CC#N)CN[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 590970597 UDICHMOWGMWXOZ-KRWDZBQOSA-N 299.462 3.569 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc2c(c1)COC2 743438237 LMMUCSPJHSJEJT-UHFFFAOYSA-N 288.297 3.831 30 20 CHED CC(C)(C#N)C[C@H](O)CSCc1ccccc1Cl 598701426 KHZDWSUYNHEZFD-LBPRGKRZSA-N 283.824 3.874 30 20 CHED COc1cc(Cl)cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1 839063941 VAUGARPEEHWLEN-GWCFXTLKSA-N 293.750 3.588 30 20 CHED C=C(Cl)CNC(=O)C(C)(C)c1ccc2ccccc2c1 742079581 JQVLXKBFMWJQHB-UHFFFAOYSA-N 287.790 3.986 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(SC(F)F)cc1 919884884 ZJASARAKOKYEMS-JTQLQIEISA-N 298.358 3.623 30 20 CHED CCOc1ccc(/C=N/[C@@H](C)c2ncc(C)s2)c(O)c1 749931752 WAWREXKSVJWRPF-UJFYRASASA-N 290.388 3.736 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)c1ccc2c(c1)CCC2 842185033 XLWCUELWWVEBLZ-STQMWFEESA-N 275.417 3.898 30 20 CHED C=CCNC(=S)N(CC(C)C)c1ccc(C)cc1 840824387 XGYUSCORKAXXFE-UHFFFAOYSA-N 262.422 3.518 30 20 CHED Fc1ccc(/C=C\C=NNc2ncnc3sccc23)cc1 747754880 HOPQHLGRNZLLLC-FSDZFGLLSA-N 298.346 3.942 30 20 CHED Fc1cc(C=NNc2ccc(Cl)nc2)cc(F)c1F 743450276 OPNLJJCCRYZHLP-UHFFFAOYSA-N 285.656 3.598 30 20 CHED CN(C(=O)CCCC1CCCCC1)c1ccc(C#N)nc1 593272881 NVRZZNQJEVHSAP-UHFFFAOYSA-N 285.391 3.667 30 20 CHED N#C[C@@H](C(=O)C1CC2(CCC2)C1)c1nc2ccccc2o1 842693061 AZDMFGGOMYKXKI-LBPRGKRZSA-N 280.327 3.584 30 20 CHED N#Cc1cccc(N[C@H](CCc2ccccc2)C(F)F)n1 599142369 WGPDKVVYIKBGKO-CQSZACIVSA-N 287.313 3.632 30 20 CHED C=CC(C)(C)CNC(=S)Nc1cccc(CC)c1 840794857 PZAKATGZGDSGMG-UHFFFAOYSA-N 262.422 3.748 30 20 CHED C=C[C@H](CC(=O)OCc1cc(C2CC2)no1)c1ccccc1 849748493 GOGYFFRMAPUXDS-CYBMUJFWSA-N 297.354 3.955 30 20 CHED C[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1cccc(C#N)c1 593079425 HSRZPPYCKPVANE-YDHLFZDLSA-N 270.376 3.562 30 20 CHED CO[C@H](C)C(C)=NNc1cccc(Cl)c1Cl 841645958 UMDRMTPKXKBHMU-MRVPVSSYSA-N 261.152 3.816 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)CC1(C#N)CCCCC1 597026881 RXEPUFZJXSDTEZ-OAHLLOKOSA-N 276.424 3.888 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc2c(c1)COC2 743440304 HURGFKVNCIZNRT-UHFFFAOYSA-N 288.297 3.831 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)C1CCCC1 595058153 YRGCIDNHPVITOM-KRWDZBQOSA-N 256.393 3.659 30 20 CHED CC[C@H](OCCn1cc(C)c(C#N)c1)c1ccccc1 593236542 OSNKARIVTOPHGU-KRWDZBQOSA-N 268.360 3.836 30 20 CHED C[C@@H](NCCCc1ccco1)c1ccc(C#N)cc1F 595093695 NJOVZFGYXBAJRB-GFCCVEGCSA-N 272.323 3.574 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ocnc1C 847744494 RJNQCWOFBFBQLH-KGYLQXTDSA-N 263.337 3.521 30 20 CHED CCCCCCCC(=O)Oc1cccc(OCC#N)c1 841342521 HZTJHANWIOPQLQ-UHFFFAOYSA-N 275.348 3.855 30 20 CHED CC(C)C[C@@H](C(=O)NC[C@H](C)C#N)c1ccc(Cl)cc1 597201102 LSRHPNIJKUCNQX-IUODEOHRSA-N 292.810 3.746 30 20 CHED C=C(C)CCOC(=O)C[C@H](C)Cc1ccccc1OC 744303591 JRHRUHDLEFELNS-CQSZACIVSA-N 276.376 3.773 30 20 CHED Cc1cc(-c2ncco2)ccc1NC(=O)C#CC(C)(C)C 848118164 JSSYQRPUFBJJOC-UHFFFAOYSA-N 282.343 3.638 30 20 CHED N#CC1(CCCSCC2CC=CC2)CCOCC1 596412418 FGGCGNKMAGLJQI-UHFFFAOYSA-N 265.422 3.786 30 20 CHED C#CCNC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C 915908130 GFINYWJJLLMAKS-MRXNPFEDSA-N 286.419 3.614 30 20 CHED CC#CCOC(=O)/C=C/c1cccc(OC2CCCC2)c1 744943112 BKPIBOOZOZHASK-VAWYXSNFSA-N 284.355 3.588 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccc(C#N)cc2C)n1 846755839 SUVUKAVWQQKCLI-GOSISDBHSA-N 277.371 3.912 30 20 CHED C[C@H](CCCc1cccnc1)N[C@@H](C#N)c1ccccc1 595540880 SEYOPBBSSDHCKL-QAPCUYQASA-N 279.387 3.647 30 20 CHED CCCc1nc(COc2cccc(OCC#N)c2)cs1 842108895 USHAEINTQUGGMN-UHFFFAOYSA-N 288.372 3.577 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@@H](Oc2cccc(F)c2)C1 595427203 SMGREKGVERQDLH-MSOLQXFVSA-N 296.345 3.544 30 20 CHED CCc1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)cc1C 596814808 AGBRVKARFITTIK-AWEZNQCLSA-N 285.391 3.715 30 20 CHED Cc1ccc([C@H](C)NCCc2ccc(C#N)cc2)s1 595055535 GFLRKSDXTILGQA-ZDUSSCGKSA-N 270.401 3.822 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](CC(C)C)c1ccccc1C 593463923 CLKHCUKYDXLPPB-GDBMZVCRSA-N 272.392 3.748 30 20 CHED CCOc1ccc(/C=N\Cc2ccccc2F)c(O)c1 920942257 UNRSISANGYNAAX-WQRHYEAKSA-N 273.307 3.549 30 20 CHED C#CC[C@@H](NCc1ccc(OC)cc1C)c1ccccc1 921935207 JOIRSPWJSVTWCR-LJQANCHMSA-N 279.383 3.858 30 20 CHED C#Cc1cccc(NC(=S)NCCCC2CCC2)c1 849297450 RVNJCTVBYHIBJB-UHFFFAOYSA-N 272.417 3.535 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1ccc(OCC)cc1)C(C)C 840321192 OPXFNLKHQJODNS-OAHLLOKOSA-N 289.419 3.687 30 20 CHED C=C(C)CCOC(=O)c1cccc(Nc2ccc(C)nn2)c1 744303242 SLILMOXOBHSELJ-UHFFFAOYSA-N 297.358 3.652 30 20 CHED C=CCNC(=S)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 840791541 VDSRCKHZUIISPA-CYBMUJFWSA-N 298.814 3.580 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)Cc1ccccn1 926591235 KDAVUBCBADCORM-LPHOPBHVSA-N 280.415 3.790 30 20 CHED Cc1ccc(CC(=O)OCCC2(C#N)CCCCC2)o1 840362616 GJRARAWHLLUORT-UHFFFAOYSA-N 275.348 3.538 30 20 CHED C[C@H](C(=O)O[C@H](C)C(C)(C)C#N)c1ccc(Cl)cc1 845497048 SWQLJAUEOHVGRI-WDEREUQCSA-N 279.767 3.925 30 20 CHED CC[C@H](NC(=O)N1CCC[C@@H](C#N)C1)c1cc(C)ccc1C 923457719 KBIYSYGWYODBPA-RDJZCZTQSA-N 299.418 3.700 30 20 CHED C=CC[C@H]1CCCCC1=NNc1ncccc1[N+](=O)[O-] 853319443 SZNYJWWJATUSLG-NSHDSACASA-N 274.324 3.524 30 20 CHED Cc1nc(Cn2ccc(-c3ccc(C#N)cc3)n2)sc1C 755946080 XCWHXJQBZIWVFA-UHFFFAOYSA-N 294.383 3.543 30 20 CHED C=CCNc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 756811477 CFTGPJSZGMKZSP-UHFFFAOYSA-N 278.352 3.640 30 20 CHED CC1CC(COC(=O)c2ccccc2SCC#N)C1 851462294 JPEFPIRJVYPYED-UHFFFAOYSA-N 275.373 3.505 30 20 CHED C/C(=C\C(=O)N[C@H](C)CC#N)C12CC3CC(CC(C3)C1)C2 751393258 OVNHDIODNIIACP-YTNLUNBLSA-N 286.419 3.567 30 20 CHED C#CCCCCCC(=O)OCc1cc(COC)cs1 857044766 UEXFHIPWDXUBBZ-UHFFFAOYSA-N 280.389 3.521 30 20 CHED CC(=NNC1CC1)c1ccc(SCC(F)F)cc1 758127998 USQWFAKCWPSAGJ-UHFFFAOYSA-N 270.348 3.520 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1cccc2ccccc12 921225343 AJOWTIPHJITKIN-AWEZNQCLSA-N 284.355 3.864 30 20 CHED N#CCCOc1ccc(-c2cnn([C@H]3CCCCO3)c2)cc1 854207943 RFFPNQHXJJPPEU-QGZVFWFLSA-N 297.358 3.542 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc(Cl)s1)OCC 756479101 IUQUYWRDNXRKGD-NSHDSACASA-N 288.796 3.816 30 20 CHED C#CC[C@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1 756922349 PFKLNJYOZFSJHJ-KRWDZBQOSA-N 294.354 3.581 30 20 CHED C#CCCCC(=O)O[C@H](C)CCSc1ccccc1 759176786 RZDLGGBKQRKUKE-CQSZACIVSA-N 276.401 3.904 30 20 CHED CCOc1cncc(/C=C\C(=O)c2cc(C)c(C)o2)c1 857201378 AHYMTUNACNLIMW-WAYWQWQTSA-N 271.316 3.586 30 20 CHED C#CCCCCNC(=O)N[C@H](c1ccccc1C)C(C)C 758763360 IFDFZFJWSCGJJG-KRWDZBQOSA-N 286.419 3.795 30 20 CHED C=CCc1cc(OC)cc(CN2CCC(C=C)CC2)c1O 754726398 RCEKILRQWVKBSS-UHFFFAOYSA-N 287.403 3.527 30 20 CHED C#CCCCCNC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 753178811 HWKLETKFYKXLBR-ROUUACIJSA-N 298.430 3.816 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H](C)c1cccc(O)c1 934708537 JYVPVFFPAVXVMX-OLZOCXBDSA-N 261.365 3.514 30 20 CHED O=C1/C(=C\c2ccnn2CC2CC2)CCc2c(F)cccc21 865226824 HNKFAGGLDUODTM-RAXLEYEMSA-N 296.345 3.645 30 20 CHED CC(C)CON=Cc1ccc(C(F)(F)F)s1 761827317 BWJAVRRSSPXOGX-UHFFFAOYSA-N 251.273 3.773 30 20 CHED COCc1ccc(Nc2ncc(Cl)c(C)c2C#N)cc1 767428220 AFFYJEZXULCSIT-UHFFFAOYSA-N 287.750 3.805 30 20 CHED Cc1cc(C=NNc2cccc(F)c2)cnc1Cl 760253405 KVEJPOYLYOFMHR-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCCC(=NNc1ccc(C(=O)O)cn1)C1CCCCC1 763367577 CDBSGRGWICMYOF-UHFFFAOYSA-N 289.379 3.928 30 20 CHED C#CCC(C)(C)C(=O)OCc1csc2ccccc12 767666991 WQKJOUAJFIAFLE-UHFFFAOYSA-N 272.369 3.994 30 20 CHED COCCC(=NNc1ccccc1Cl)C1CCOCC1 764886982 WBXZCFRHWYGHFP-UHFFFAOYSA-N 296.798 3.571 30 20 CHED CC(C)CC(=NNc1nc2ccccc2[nH]1)c1ccccn1 760224962 RKTVRIQLHXMCDV-UHFFFAOYSA-N 293.374 3.820 30 20 CHED CCCCCCCNC(=O)c1ccc(C(C)=O)cc1F 862357700 DCJKTJOLBDBPQI-UHFFFAOYSA-N 279.355 3.729 30 20 CHED C=C(CC)COc1c(OC)ccc(C=O)c1Br 760560563 BLYDAZQGCDKVJS-UHFFFAOYSA-N 299.164 3.615 30 20 CHED CC(=NNCCc1ccccc1F)c1sccc1C 764721092 BWOCINFVYJLSCK-UHFFFAOYSA-N 276.380 3.752 30 20 CHED CCC1(C(=O)OCCCCC(C)(C)C#N)CCC1 768743729 AKLUHJNMEZZCBJ-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CCCCCCCCC[S@@](=O)Cc1nccnc1C 864485378 QVBPVNTUHTZTHK-LJQANCHMSA-N 282.453 3.784 30 20 CHED C#C[C@@H](CC)OC(=O)c1ccccc1C(=O)c1cccs1 768048508 JSRHESREIUZIRT-LBPRGKRZSA-N 298.363 3.548 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccnc(-c2ccco2)c1 935695606 AXBNDGNLZGKQMD-CQSZACIVSA-N 282.343 3.522 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](c1ccccn1)C1CC1 932380191 ACALXRFIZAGOIA-GOSISDBHSA-N 277.371 3.503 30 20 CHED CCCCCCCCCN(C)C(=S)NCc1ccon1 764453824 IAIGZTIDNQDGSJ-UHFFFAOYSA-N 297.468 3.732 30 20 CHED c1cnc(NN=C2CCCc3c2sc2ccccc32)nc1 763167165 PXDYAWABWATCSZ-UHFFFAOYSA-N 294.383 3.844 30 20 CHED Cc1ccc(F)c(NN=CC2Cc3ccccc3C2)c1 766454387 YGHIYBFENINWLD-UHFFFAOYSA-N 268.335 3.947 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)[C@H](C#N)c1ccncn1 760334890 SAFJVBJDFULMSU-JKSUJKDBSA-N 299.418 3.895 30 20 CHED CC(C)c1cccc2c1OCCCC2=NNc1cnccn1 768483236 NOBFQAZYZIGIML-UHFFFAOYSA-N 296.374 3.589 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCC(=O)[C@H](C)C1 761454807 IHSKNPFQPGLQRY-CHWSQXEVSA-N 254.370 3.505 30 20 CHED COc1nc2ccccc2cc1CN(CCC#N)CC(C)C 768153230 BFUFHZINCZCRMJ-UHFFFAOYSA-N 297.402 3.615 30 20 CHED C=CCC(C)(C)C(=O)NCCCCOc1ccccc1 1117735878 RAACJHZDHQXDJO-UHFFFAOYSA-N 275.392 3.564 30 20 CHED Clc1cccc(N=C2NN=C(CC3CC3)CS2)c1 775742951 SDVOKWDHFJRNOC-UHFFFAOYSA-N 279.796 3.820 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ncc(C)cc1C 779858364 AJLMZBVCUIRGKA-UHFFFAOYSA-N 298.361 3.666 30 20 CHED Cc1ccncc1CCC=NNc1cccc([N+](=O)[O-])c1C 776729072 HOCCAHFDCIZYLJ-UHFFFAOYSA-N 298.346 3.637 30 20 CHED CC1(C)C(=NNCC2CCOCC2)C[C@@H]1c1ccccc1 1116305343 XHQQIEPKMTXYHK-MRXNPFEDSA-N 286.419 3.572 30 20 CHED COc1cc(CNc2cccc(OCC#N)c2)ccc1C 775058661 WJLFKENVQYZUOP-UHFFFAOYSA-N 282.343 3.518 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(-c2cccs2)s1 1116798885 VKVUSBLVCHWGAU-JTQLQIEISA-N 275.398 3.570 30 20 CHED CCc1cccnc1C(C)=NNc1ccc(F)cc1F 779753255 NYJXOKXXWURNAU-UHFFFAOYSA-N 275.302 3.758 30 20 CHED Cc1ccc2nc(C3CC3)cc(C(=O)OC[C@H](C)C#N)c2c1 770948167 BTYVDWOPOBTPGS-GFCCVEGCSA-N 294.354 3.737 30 20 CHED N#CCCOCCN1CCCSc2cc(Cl)ccc21 879138206 OZLAGDJHLHPLNA-UHFFFAOYSA-N 296.823 3.572 30 20 CHED CC(C)[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2O)CCO1 771521676 VCYPXEUNJCMPJW-XBGHGCBESA-N 281.783 3.668 30 20 CHED C#CCOc1ccccc1NC(=O)/C=C/C(=C/C)CC 775950780 YSQGWGAFXOBNRU-UDVMPLSWSA-N 269.344 3.550 30 20 CHED CCCOC(=O)c1ccccc1Oc1ccccc1C#N 778180758 WWWRMFHBIXGSIK-UHFFFAOYSA-N 281.311 3.917 30 20 CHED COc1ccc(N(C)Cc2ccc(C#N)cc2C)cc1F 776802531 PBYZVWSRABHWJG-UHFFFAOYSA-N 284.334 3.651 30 20 CHED C=C(C)CCC(=O)Oc1ccc(C(C)=O)c(Cl)c1 1121246244 QEZJLDGVSLILRF-UHFFFAOYSA-N 266.724 3.804 30 20 CHED CCCCCCOc1ccc(C=NNC[C@@H](C)C#N)cc1 771107464 NLAGGNUMOGUIQO-HNNXBMFYSA-N 287.407 3.729 30 20 CHED CC(=NNc1cccc(Cl)c1)c1ccc(F)cn1 770597463 DTGYPDIECWKBCX-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C#CCCCCC(=O)N1CCCc2cc(C)cc(C)c21 776320330 MMTHOPHGPZDGGH-UHFFFAOYSA-N 269.388 3.776 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1nc(O)c2ccccc2n1 773202951 HKRRYGOSVQVFQB-OCCSQVGLSA-N 296.374 3.726 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1oc2c(C)cccc2c1C 1121253702 VRBAXIBTGIYTLR-CYBMUJFWSA-N 284.359 3.814 30 20 CHED COc1cc(C(=O)OCC2(C#N)CCCCC2)ccc1C 780487515 MQRUMXIKBNNSPI-UHFFFAOYSA-N 287.359 3.635 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)[C@@H]1CCCO1 783854623 XIVAMQRXYYCDPX-NSHDSACASA-N 273.163 3.960 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](c1ccccc1)[C@H](C)CC 781126091 LUNDLJFYBTXPBV-BPLDGKMQSA-N 259.349 3.662 30 20 CHED C=CCCCC(=O)OCc1ccc(F)c(Cl)c1 787729261 TZAGXUPVBMBEDB-UHFFFAOYSA-N 256.704 3.879 30 20 CHED Clc1ccc([C@@H]2CCCC2=NN[C@H]2CCCOC2)cc1 780259589 AWKBFIDTIMFNBT-GJZGRUSLSA-N 292.810 3.732 30 20 CHED O=C(/C=C/c1cccc(OC(F)(F)F)c1)c1cncs1 787172056 HKTNIXCAVCQFEZ-SNAWJCMRSA-N 299.273 3.938 30 20 CHED N#CC1(COC(=O)c2ccccc2OC2CCC2)CCCC1 780533414 UZELFZWRFAQMRP-UHFFFAOYSA-N 299.370 3.859 30 20 CHED C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CCC1(C)C 789059467 CYNRGQFLKWREGO-GFCCVEGCSA-N 288.391 3.502 30 20 CHED N#Cc1ccc(COC(=O)c2ccccc2)c(Cl)c1 784185813 GIKKZGMCBCPCAC-UHFFFAOYSA-N 271.703 3.569 30 20 CHED CC1(C)CC(=NNc2ccnc(F)c2)c2ccoc2C1 781134101 QZQHFJZNAHLXAL-UHFFFAOYSA-N 273.311 3.602 30 20 CHED C=C[C@H]1CCCCN1C(=S)N[C@H](C)c1ccccc1 782407583 JFNQRFRLJFSCLV-HIFRSBDPSA-N 274.433 3.663 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NC(=O)c1cc(C#N)cs1 1133739952 XDSIKUBNTWTYSZ-OAHLLOKOSA-N 298.411 3.617 30 20 CHED CC[C@@H](CC#N)NCc1cccc(Oc2ccccn2)c1 893605446 GGEOUZGJVJBOMU-HNNXBMFYSA-N 281.359 3.656 30 20 CHED Cc1noc(C)c1C[C@@H](C)Nc1ccc(C#N)cc1Cl 892614125 FLTHFAZKPNDKAA-SECBINFHSA-N 289.766 3.860 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCCCC(C)(C)C 782443341 YQEYXHDMPNLLIJ-OAHLLOKOSA-N 256.386 3.585 30 20 CHED Cc1ncc([C@@H](C)Nc2ccc(C#N)cc2C)s1 894922961 DEKRCHOTBQOHAE-SNVBAGLBSA-N 257.362 3.805 30 20 CHED C[C@@H]1Cc2cc(/C=C3\CCc4scnc4C3=O)ccc2O1 899387521 ODTUBTKWJZQXOB-CEXMDJMXSA-N 297.379 3.679 30 20 CHED C[C@@H](c1ccco1)N(Cc1ccccc1C#N)C1CC1 86234287 ZFDSTMLKTVNXFR-ZDUSSCGKSA-N 266.344 3.877 30 20 CHED O=C(/C=C/c1ccnn1-c1ccc(F)cc1)c1ccccc1 794927202 PGFSBIYMZKMRJD-ZHACJKMWSA-N 292.313 3.908 30 20 CHED CSc1c(F)cccc1C(=O)Oc1ccc(C#N)cc1 797941550 SRHQJXWUXOUYRW-UHFFFAOYSA-N 287.315 3.638 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1ccnc(F)c1 794856876 SQFCXPQEQRDHNO-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C#C[C@H](NC(=O)N[C@H](CC)c1ccc(Cl)s1)C(C)C 798555942 WRLXCBGNVZDNOE-WDEREUQCSA-N 298.839 3.810 30 20 CHED CC[C@H](C)NN=C[C@H](C)c1cccc(Br)c1 790187392 AMRDNFZCJQJEBA-QWRGUYRKSA-N 283.213 3.927 30 20 CHED N#Cc1cccnc1N1CCCC2(CCCCC2)CC1 302746297 FHSDWCHRAPHABJ-UHFFFAOYSA-N 269.392 3.894 30 20 CHED O=C(/C=C\c1ccsc1Cl)c1cncc(F)c1 790219711 LDLBKBCYUUUREC-UPHRSURJSA-N 267.712 3.832 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1cc(C)c(C)o1 799878566 UVJXPFXUSVYSSS-UHFFFAOYSA-N 280.331 3.676 30 20 CHED CCN(C[C@@H](C)C#N)[C@H]1CCc2cc(Cl)ccc21 795878551 CKGVCMRAYVKDCO-NHYWBVRUSA-N 262.784 3.809 30 20 CHED Cc1cc[nH]c1C(=O)Nc1ccccc1SCCC#N 797865691 CYLITTRWZJJRHH-UHFFFAOYSA-N 285.372 3.581 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]1c1ccncc1 277843249 XCJUKVCKEBGEKI-MRXNPFEDSA-N 271.408 3.939 30 20 CHED C=CCC1(C(=O)OCCCCOC(C)(C)C)CCC1 791557376 DBIFZXXZRVTCFN-UHFFFAOYSA-N 268.397 3.871 30 20 CHED CC(C)C[C@H](C)C=NNc1nncc2ccccc12 799104858 XDZXMGXHGIZJBU-LBPRGKRZSA-N 256.353 3.710 30 20 CHED CC#CCCCC(=O)OCc1cc(C)ccc1OC(F)F 795532159 UKECBOCFUGKSGV-UHFFFAOYSA-N 296.313 3.833 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C)C2)cc1C#N 799378934 WUOLZXNOEUBZBR-INIZCTEOSA-N 284.403 3.765 30 20 CHED CCC[C@@H]1CCCCN1C(=O)c1ccc(C)c(C#N)c1 799365724 LAIBFXAWFDMXBG-MRXNPFEDSA-N 270.376 3.662 30 20 CHED N#Cc1ccc(CCN2CCc3cccc(Cl)c3C2)cc1 1208928499 FEZNUBHYCQPDEM-UHFFFAOYSA-N 296.801 3.812 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1cc(C)on1 790298576 MDEDMOIKXYOKSW-MRXNPFEDSA-N 285.391 3.564 30 20 CHED CC[C@H]1CCC[C@H](CN2CC(Oc3ccc(C#N)cc3)C2)C1 1206185679 CNJNOFQLOYXVCE-RDJZCZTQSA-N 298.430 3.838 30 20 CHED COc1cc(C(C)=NOCCSC)ccc1SC 794572254 CXKRNHACFMMFDU-UHFFFAOYSA-N 285.434 3.521 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNc1ccc(OC)cn1 797403704 WIVOEFGSRXMRGE-NWDGAFQWSA-N 261.369 3.704 30 20 CHED C=CCC1(NCc2cccc(OCC)c2O)CCCC1 690710494 DKWORGZRMHFBSR-UHFFFAOYSA-N 275.392 3.769 30 20 CHED C=CCC1(NCc2cccc([N+](=O)[O-])c2)CCCC1 594985864 BGEQJPRDLMXLLD-UHFFFAOYSA-N 260.337 3.573 30 20 CHED C=C(C)CN(CC)Cc1ccc(Cl)nc1Cl 788011173 XMZBYQBWCUKOSP-UHFFFAOYSA-N 259.180 3.786 30 20 CHED Cc1cccc(C)c1CSc1cccnc1C#N 1166183188 XFBHLYWXSQEVLY-UHFFFAOYSA-N 254.358 3.862 30 20 CHED N#Cc1nc(N2CC[C@@H]2c2ccccc2)sc1Cl 1162195908 WXRRRLKUSOBKIS-LLVKDONJSA-N 275.764 3.620 30 20 CHED CCCCCCCCC(=O)NCc1ccccc1O 133759821 RJQCNWHQGBSETC-UHFFFAOYSA-N 263.381 3.759 30 20 CHED CCc1ccc2c(c1)CCN(CCC(C)(C)C#N)C2 1177007783 CUEBVASYBQQCCW-UHFFFAOYSA-N 256.393 3.547 30 20 CHED C[C@H](SCC1(C#N)CC1)c1nccn1-c1ccccc1 1323444455 XNVWHVLMVMRYKT-ZDUSSCGKSA-N 283.400 3.970 30 20 CHED N#Cc1ccc(-c2nnc(-c3cccc4c3CCC4)o2)cc1 1322509603 HMLJZRDBZTZXGH-UHFFFAOYSA-N 287.322 3.764 30 20 CHED C=CC(C)(C)c1nnc(-c2ccc(CN(CC)CC)o2)o1 1329311750 ICEBVOOXVYGIOR-UHFFFAOYSA-N 289.379 3.635 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)n2cccc2)CCCC1(C)C 1320947755 LFEUOPGHMSONFV-CABCVRRESA-N 274.408 3.642 30 20 CHED C=CCCC[C@H](C)N[C@H](C(=O)OC)c1ccccc1Cl 1320649233 OOGJYJTYQQSOAI-WFASDCNBSA-N 295.810 3.889 30 20 CHED CC(C)(C)c1csc(NC(=O)CC#Cc2ccccc2)n1 1325798352 GQAODPTZEWCLGZ-UHFFFAOYSA-N 298.411 3.821 30 20 CHED C(=NN[C@@H]1CCCOC1)c1ccc(-c2ccccc2)s1 1320493461 CSZWOXZOEYCNEE-CQSZACIVSA-N 286.400 3.518 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cnc(C(C)C)[nH]1 1324958405 YQATWAKWQDPOEG-UHFFFAOYSA-N 297.402 3.752 30 20 CHED CC[C@@H](C)c1nnc([C@@H](C)Cc2ccc(C#N)cc2)o1 1326985918 GWOLGZLZRPSFKZ-NEPJUHHUSA-N 269.348 3.801 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1ccccc1C#N)C2=O 1335769039 URBNYGGXAXYALM-SXGWCWSVSA-N 289.334 3.834 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@@H](C)c1c(C)noc1C 1337489284 SKLJHQQRHMQBDJ-DOMZBBRYSA-N 290.407 3.742 30 20 CHED CN(C(=O)CCCc1ccc(F)cc1)c1cccc(C#N)c1 1355531532 BXAFFNHXZRKDRJ-UHFFFAOYSA-N 296.345 3.683 30 20 CHED CC(C)(C#N)C[C@@H](O)CN[C@H](C1CCCCC1)C1CCC1 1356622875 VMOMYKLSNIFZCP-IAGOWNOFSA-N 292.467 3.626 30 20 CHED CC(=O)c1cccc(OCc2ccc(F)c(C#N)c2)c1F 1459246579 HCOAWAXIJFVKKL-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=C(C)CCC(=O)O[C@H](C)c1sc(CCOC)nc1C 1525128551 FDTOTLYPVIZVFV-GFCCVEGCSA-N 297.420 3.601 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1cccc(C#N)c1 1521495343 NLYKOCPQCULLKM-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED CCCC[C@@H](S[C@H](C#N)CCc1ccccc1)C(=O)O 1605251405 RLFNZKDVHQOJKQ-LSDHHAIUSA-N 291.416 3.888 30 20 CHED C=CCC[C@@H](NCc1c[nH]c(C(=O)O)c1)c1ccccc1 1602857680 UXFYOMKFPJRRIF-OAHLLOKOSA-N 284.359 3.510 30 20 CHED Cc1ccc(CCC(=O)Nc2cc(F)cc(C#N)c2)s1 1531985219 QWIINMLOTLDXFG-UHFFFAOYSA-N 288.347 3.639 30 20 CHED Cc1cc(C)c(/C=C\CN2CCC(C#N)CC2)c(C)c1 1474336161 UWICLDLWDNCBTQ-PLNGDYQASA-N 268.404 3.861 30 20 CHED CC(C)CN(CCC#N)CCOc1ccc(Cl)c(F)c1 1473179930 UYEWCGKAHYRYPW-UHFFFAOYSA-N 298.789 3.730 30 20 CHED Fc1cccc(N=Cc2cc(F)c(F)c(F)c2)c1 253533356 NKJIHZBYUWZWLR-UHFFFAOYSA-N 253.198 3.994 30 20 CHED Cc1cc(N[C@@H]2CCCc3ccccc32)ncc1C#N 1613023247 UCASBFUPJJJJHS-MRXNPFEDSA-N 263.344 3.751 30 20 CHED CCOc1ccc(C#N)cc1NCc1cccc2c1OCC2 1620962934 ZHVMYUFSOGXVGR-UHFFFAOYSA-N 294.354 3.504 30 20 CHED C#Cc1cccc(N(C)Cc2cccc(C(=O)O)c2Cl)c1 1573313407 HDWDAWNMPHBTPG-UHFFFAOYSA-N 299.757 3.656 30 20 CHED C[C@H](CC#N)Nc1cc(-c2cccc(Cl)c2)ncn1 1655123079 ZXYKWHXXPKBJHN-SNVBAGLBSA-N 272.739 3.511 30 20 CHED CCc1nc(C#N)cc(Nc2ccc3sc(C)nc3c2)n1 1651444069 SDCZDXAUQDTHST-UHFFFAOYSA-N 295.371 3.572 30 20 CHED C=CCC[C@@H](CC)Nc1cc(COC)cc(C(=O)O)c1 1588777847 MYHYYNJWJFHLKO-CQSZACIVSA-N 277.364 3.688 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1C)[C@@H]1CC1(C)C 1675086199 RWINKXHDSAHRDF-UONOGXRCSA-N 285.391 3.813 30 20 CHED CC[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1674218274 FGZXMDWSOFOYMO-INIZCTEOSA-N 297.333 3.970 30 20 CHED C[C@@H]1/C(=C/c2ccc(CC(=O)O)cc2)C(=O)c2ccccc21 1777407986 PCXOYQARQVFVBC-NJPLLEPOSA-N 292.334 3.697 30 20 CHED Cc1c(NN=C2C[C@H]3[C@@H](C2)C3(C)C)cccc1C(=O)O 1776089220 IBEKYBPYGJUDQG-BETUJISGSA-N 272.348 3.527 30 20 CHED C[C@H]1C/C(=C\c2ccc(C(=O)O)nc2)C(=O)c2ccccc21 1776589659 QRKMCHFPTCBGGJ-GJSJWPQCSA-N 293.322 3.553 30 20 CHED Cc1cc(NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)ccc1Cl 1776105144 PUMSZYXPILLYDI-QWRGUYRKSA-N 294.782 3.937 30 20 CHED Cc1csc(SCc2ccc(C#N)cc2F)n1 19847679 RARZSTBELZUYGE-UHFFFAOYSA-N 264.350 3.755 30 20 CHED C=C(C)CNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 161036437 YXUNKGAUZRPIBX-LLVKDONJSA-N 285.309 3.576 30 20 CHED C=C(C)CNC(=O)c1cc(-c2ccccn2)ccc1Cl 161262790 YTSGFJYGCHWTKB-UHFFFAOYSA-N 286.762 3.708 30 20 CHED C=CCN(C)C(=O)c1ccccc1OCc1ccccc1C 161426828 DOFFTGFAYPLDKF-UHFFFAOYSA-N 295.382 3.832 30 20 CHED CCc1cc(C#N)c(NC(=O)CC(CC)CC)s1 160478845 SLGWTSIMGZGBPP-UHFFFAOYSA-N 264.394 3.947 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](C(C)(C)C)C1 165506169 MAMHKGMRUBZOKL-MRXNPFEDSA-N 256.393 3.735 30 20 CHED N#CCC[C@@H](NC(=O)CCc1ccccc1)c1ccccc1 153125044 GHOJBRUBZCGZBU-GOSISDBHSA-N 292.382 3.780 30 20 CHED C#CCCCCNC(=O)Nc1cccc(OCC(=C)C)c1 153380855 UZLHQOVWCYJOKE-UHFFFAOYSA-N 286.375 3.567 30 20 CHED C=C(C)CNC(=O)Nc1cc(-c2ccccc2)ns1 157506218 PJSKFGGJAJMBGI-UHFFFAOYSA-N 273.361 3.508 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)c1cccc(C)c1C 155135691 UYNACIXQAQZTRS-UHFFFAOYSA-N 297.329 3.707 30 20 CHED C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC(C)(C)O1 154085449 MPSPUTZMDLYPMU-SNVBAGLBSA-N 298.308 3.581 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(CC)C[C@H](C)C#N)cc1 156396052 WUJOCOPVPRNICE-CABCVRRESA-N 286.419 3.751 30 20 CHED COc1cccc2c1CC[C@@H]2/N=C/c1ccccc1O 159846144 HYSPRFOLWLCXFG-LZNAANCOSA-N 267.328 3.507 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1ccccc1Cl 159112368 SIUJEUHWAKUEHE-GFCCVEGCSA-N 278.783 3.504 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)o1 209252320 IYHIBHWSJBEMAI-XQRVVYSFSA-N 262.692 3.843 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1cccc(F)c1 20147900 UYFSRJJGHGEPRG-GFCCVEGCSA-N 254.308 3.548 30 20 CHED C[C@H](Cc1ccsc1)Nc1cc(C#N)ccc1[N+](=O)[O-] 124760205 CYFHDCYDKVGQPA-SNVBAGLBSA-N 287.344 3.571 30 20 CHED N#Cc1ccc(NC(=O)CC2CCSCC2)cc1Cl 127809688 SDOJHENMGOTHRE-UHFFFAOYSA-N 294.807 3.683 30 20 CHED COc1ccc(SCc2cc(C#N)ccc2OC)cc1 129273108 MOIFKYXIPZPJEK-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 252219259 YOVWRJPLBSQWPO-NTZNESFSSA-N 273.336 3.703 30 20 CHED CC[C@](C)(C#N)NC(=O)CCSc1ccc(C)c(C)c1 162076075 SQDMVDYRYUJZTQ-MRXNPFEDSA-N 290.432 3.594 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(Cl)cc1F 162179918 DXDSIPKIOCKACW-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Br)cc1C 184972109 YPYUIBVNXNBQDQ-UHFFFAOYSA-N 294.192 3.746 30 20 CHED C#Cc1cccc(NCCCOc2ccccc2)c1 61815679 MWJCGBDQUUPMFV-UHFFFAOYSA-N 251.329 3.549 30 20 CHED Cc1ccsc1CN(C)Cc1ccc(F)c(C#N)c1 344364752 DACMHGOMKXQVRM-UHFFFAOYSA-N 274.364 3.699 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(CC#N)cc1 308093585 WBJKALNMFUFHJU-CQSZACIVSA-N 258.365 3.763 30 20 CHED C=CCCCCNC[C@@H](O)c1ccc(C(F)(F)F)cc1 312712105 GBZSUXOKFQEAFP-CQSZACIVSA-N 287.325 3.685 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 119119632 LWZXJFQUUQGNCZ-RYUDHWBXSA-N 299.336 3.965 30 20 CHED C=CCCCC(=O)Nc1ccc2cnn(C(C)C)c2c1 175476000 MBXHCJSPQKOHJJ-UHFFFAOYSA-N 271.364 3.912 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)CC2CCCCC2)cc1 179936551 RSRWYHFMAVZNSW-HNNXBMFYSA-N 286.419 3.990 30 20 CHED N#Cc1ccnc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 342550355 XLGOJHPJPUZJAZ-VXGBXAGGSA-N 283.297 3.734 30 20 CHED C=CC1CCN(C(=O)c2cccc(OCCC)c2)CC1 110362866 QVOBZJDKVYPHPG-UHFFFAOYSA-N 273.376 3.514 30 20 CHED CC(C)c1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1 61954881 CSUQKZKMRPTVSK-UHFFFAOYSA-N 278.355 3.958 30 20 CHED CCCCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 114620649 ZLGWRUALZZQDCF-GFCCVEGCSA-N 285.372 3.572 30 20 CHED N#CC1(C(=O)Nc2ccc(OCC3CC3)cc2)CCCCC1 171946743 MGQQLLWKBJRWKK-UHFFFAOYSA-N 298.386 3.888 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(F)c(C)c1 105037942 QTAWVWXUDUKRMW-UHFFFAOYSA-N 250.317 3.564 30 20 CHED CC(C)(CCC#N)CNCc1cc2ccccc2o1 174273324 RHFMMZZBIIHGPY-UHFFFAOYSA-N 256.349 3.852 30 20 CHED C=CC1CCN(C(=O)Nc2cc(Cl)ccc2OC)CC1 111701407 AUXMZQHWUOMCOD-UHFFFAOYSA-N 294.782 3.779 30 20 CHED N#CC[C@H](OC(=O)CC1CCCCC1)c1ccco1 1346719780 GFURTJFXPWRGID-AWEZNQCLSA-N 261.321 3.748 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)CC(C)C)c1ccccc1 179511931 QMIUHYMGIRETPQ-HUUCEWRRSA-N 259.393 3.897 30 20 CHED Cc1cccc(C)c1CNc1cccc(F)c1C#N 130496787 XRTTYUAHGNMEFX-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(C)C[C@@H]1CCCN1c1ccc(Cl)c(C#N)n1 301502520 FMXUNGVZHBWDNY-NSHDSACASA-N 263.772 3.622 30 20 CHED Cc1cccc([C@@H](C)Nc2nnc(C)c(C)c2C#N)c1C 301302158 RROXYNXNNHUCGM-CQSZACIVSA-N 280.375 3.755 30 20 CHED COc1cc(Oc2cc(C)nc(C(C)C)n2)ccc1C#N 302892985 QDSSJFIWZNKFJZ-UHFFFAOYSA-N 283.331 3.581 30 20 CHED C=CCN1CCC(N[C@H]2CC(C)(C)c3ccccc32)CC1 177911056 HOTUBWNFQOUBSA-SFHVURJKSA-N 284.447 3.649 30 20 CHED COc1ccc(Cl)cc1[C@@H](C)NCCCCC#N 178648678 GYEYLBZZDYXQNA-LLVKDONJSA-N 266.772 3.693 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](N2CCCC2)C1 171442685 BGTLRNNOLNLJAJ-QGZVFWFLSA-N 294.483 3.824 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)c(F)c1 175008054 KFILSFJQQVAZTR-QGZVFWFLSA-N 284.309 3.614 30 20 CHED C#CCCCCC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 120180550 VFDBWFCZXOAUPE-CQSZACIVSA-N 291.822 3.923 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CCCC1CCCCC1 120700792 LVUHLHQTMXMDQN-MRXNPFEDSA-N 264.413 3.791 30 20 CHED N#C[C@@H](SCC(=O)OC1CCCCC1)c1ccccc1 1346815118 ORNCBJJXQZBTQB-OAHLLOKOSA-N 289.400 3.860 30 20 CHED C=CCN1CCC(N[C@@H]2C[C@H](C)c3c(C)cccc32)CC1 179421088 YYEOFEBGHZMNAN-MAUKXSAKSA-N 284.447 3.783 30 20 CHED CC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(C)cc1 126662075 BHXAKZPHGWOMAW-RBUKOAKNSA-N 294.398 3.641 30 20 CHED C=C(C)CNC(=S)N(CC)[C@H](C)c1cccc(OC)c1 60435242 RPRSIJXVDKNUHE-CYBMUJFWSA-N 292.448 3.529 30 20 CHED C=CC1CCN(C(=O)NCCCCCCSC)CC1 183278421 RJCAKQRYQYTHKB-UHFFFAOYSA-N 284.469 3.517 30 20 CHED CCCCOc1ccc(CNC[C@H](C)C#N)cc1OCC 183840042 JQWFOUJCQIUKQO-CQSZACIVSA-N 290.407 3.513 30 20 CHED C=C(C)CN(CC)CC(=O)c1cc(C)n(CCC)c1C 301759792 HKZAVIQMZDCVTB-UHFFFAOYSA-N 276.424 3.596 30 20 CHED Cc1ccc(C[C@@H](C)Nc2ccc(C#N)nc2)c(C)c1 301503707 HUOLHNLJPJMGKF-CQSZACIVSA-N 265.360 3.613 30 20 CHED COc1ccc(N/C(N)=N/Cc2c(C)cc(C)cc2C)cc1 303885143 JMOBMOVYHMVSBA-UHFFFAOYSA-N 297.402 3.547 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1 127771656 DSDSEXJFPCYEKB-YOEHRIQHSA-N 299.418 3.526 30 20 CHED Cc1cccc(O)c1NC(=O)c1cccc(SCC#N)c1 183063114 YYGCCGRTWUUWIO-UHFFFAOYSA-N 298.367 3.569 30 20 CHED C=C(C)CN(C)Cc1c(C)nn(-c2ccc(F)cc2)c1C 181044451 ITALXUOLTYXSRU-UHFFFAOYSA-N 287.382 3.636 30 20 CHED C=CCC[C@H](CC)N[C@H](C)C1CCN(C(=O)OCC)CC1 187698802 NQCOFJHFLSHMSQ-ZBFHGGJFSA-N 296.455 3.578 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(COC(C)C)cc1 181648313 FJXXOZBOYPTBCX-UHFFFAOYSA-N 276.380 3.651 30 20 CHED CCCCCCCCCNC(=O)c1c(C)nn(C)c1Cl 123809330 OBVVBCKYAJRKCB-UHFFFAOYSA-N 299.846 3.862 30 20 CHED CN(CCC#N)CC1CCC(c2ccccc2)CC1 189073196 MSGBJALKDCXMHJ-UHFFFAOYSA-N 256.393 3.806 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccc(F)cc1 182548529 DCLWJVCDHHGMPF-GFCCVEGCSA-N 270.307 3.729 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)c2ccccc12 413585594 RROYIVTXLWITRZ-INIZCTEOSA-N 280.371 3.816 30 20 CHED COc1ccc([C@@H](C)NCCc2cccc(C#N)c2)c(C)c1 414122805 AZYXXODDYPVUCH-OAHLLOKOSA-N 294.398 3.769 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)s1 33409617 YCILUQVIRMVIOQ-HJWRWDBZSA-N 273.313 3.861 30 20 CHED C[C@@H](NCCCNc1ccccc1)c1cccc(C#N)c1 181773578 ZZQYEWJCVSGRDM-OAHLLOKOSA-N 279.387 3.711 30 20 CHED CO[C@@H](CSCCC(C)(C)C#N)Cc1ccccc1 419483249 YYJXXOGRMMTNHT-OAHLLOKOSA-N 277.433 3.917 30 20 CHED CCO[C@H]1C[C@@H](N(C)CCCCC#N)C12CCCCC2 127408300 PVSAOOWIWVSRRF-CVEARBPZSA-N 278.440 3.740 30 20 CHED CCN(C(=O)[C@H](C)C(F)(F)F)[C@H](C)c1ccc(C#N)cc1 79716170 CZLJTLUJKLWKKI-WDEREUQCSA-N 298.308 3.666 30 20 CHED COc1ccc(Cl)cc1[C@@H](C)NCC(C)(C)CC#N 414166620 NZJYNXJJHDUROI-LLVKDONJSA-N 280.799 3.939 30 20 CHED O=C(NCC#Cc1ccccc1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 506140348 APFRSTSQTRXIBP-CEXWTWQISA-N 295.426 3.761 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@@H](CC)CSC)c1ccccc1 188961084 MCFVEFJZLKVJTK-JKSUJKDBSA-N 291.460 3.946 30 20 CHED C#CCCCCC(=O)N[C@H](Cc1ccc(F)cc1)C(C)C 120227308 OBABBZFCGZVAPA-QGZVFWFLSA-N 289.394 3.703 30 20 CHED CCCc1ccccc1NC(=O)Cc1ccc(C#N)cc1 70158819 POPMTNUQOOIPCY-UHFFFAOYSA-N 278.355 3.692 30 20 CHED O=C(O)c1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 126319409 OJEJWZNRSSATCD-QPJJXVBHSA-N 288.249 3.559 30 20 CHED C=CCC[C@H]1NC(=O)N([C@H](CCC=C)c2ccccc2)C1=O 419973451 HWWKFGJHNFJICU-HZPDHXFCSA-N 298.386 3.581 30 20 CHED COc1cccc(NCc2ccc(N(C)CCC#N)cc2)c1 75826090 HKBASWYBGYWFRE-UHFFFAOYSA-N 295.386 3.657 30 20 CHED Cc1nc(SCc2cc(F)ccc2C#N)oc1C 122271799 WAVZSHXWVUMRJB-UHFFFAOYSA-N 262.309 3.595 30 20 CHED C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 77497757 YNFCSTDWMDGVNZ-GFCCVEGCSA-N 297.333 3.623 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(F)cc2OCC(F)F)C1 185877364 SXOGUYVFMVAALU-PWSUYJOCSA-N 298.308 3.964 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 417358737 FVWCELVUWXMWHO-SUMWQHHRSA-N 254.377 3.880 30 20 CHED C=CC[C@H](C(=O)Nc1ccnc(C)c1)c1ccccc1 188907072 SCHGCQYHUDQUEQ-INIZCTEOSA-N 266.344 3.688 30 20 CHED C[C@@H](O)CCCOc1ccc(Oc2ccc(C#N)cc2)cc1 418889924 BTQQQQGCKVSYFK-CQSZACIVSA-N 297.354 3.890 30 20 CHED CC[C@H](NC1(c2cccc(C#N)c2)CC1)[C@@H]1C[C@@H]1C 414092280 FPKMHXRKINMIJV-MAZHCROVSA-N 254.377 3.572 30 20 CHED C=CCCCCCN(C)Cn1ncn(C(C)(C)C)c1=S 131389791 YLGSIAHWZHSQKQ-UHFFFAOYSA-N 296.484 3.805 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(C)=O)cn2)CCCCC1 410621514 GLHRWGVOKAOJET-UHFFFAOYSA-N 286.375 3.749 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F 180150559 RDCNVIGZJOUOHD-VHSXEESVSA-N 296.317 3.780 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(F)cc1OCC#N 180747823 NBSYGOLOWSEGBY-NEPJUHHUSA-N 262.328 3.741 30 20 CHED CC[C@H](C)CCC(=O)N1CCCc2cc(C#N)ccc21 411002591 PWBWOMVLQFHIMV-ZDUSSCGKSA-N 270.376 3.664 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)[C@@H](C)CC)s1 183299004 QSUFRMFGTXOJKG-UWVGGRQHSA-N 264.394 3.803 30 20 CHED Cc1nc(CCN[C@H](C)c2cccc(C#N)c2)sc1C 181909497 GKFJDVBTOCOPLJ-GFCCVEGCSA-N 285.416 3.525 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(-n3cccc3)c2)cc1 44872671 KEYVESPBLRFDLL-UHFFFAOYSA-N 287.322 3.601 30 20 CHED CCN(C(=O)Cc1ccsc1)[C@@H](C)c1ccc(C#N)cc1 45499061 UBODGKPDRUDNIU-ZDUSSCGKSA-N 298.411 3.772 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C#N)o1 80339509 KBRRIUUURYORTA-GTNSWQLSSA-N 284.334 3.704 30 20 CHED C[C@@]1(C/N=C(/O)Nc2cccc3ccsc23)CCOC1 328850070 WJGUZFDHKNZXLG-HNNXBMFYSA-N 290.388 3.654 30 20 CHED Cc1ccc(C)c(C[S@](=O)CCCC(C)(C)C#N)c1 83080250 FBTHTOQVHYHWKX-IBGZPJMESA-N 277.433 3.882 30 20 CHED C[C@@H]1CC[C@H](CC(O)=Nc2cnccc2-n2cccn2)C1 328641685 DHRRWLWJBPGPNR-OLZOCXBDSA-N 284.363 3.682 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](Cc2ccccc2)C1 424691236 QWJFOWUFESESNW-INIZCTEOSA-N 271.404 3.680 30 20 CHED C[C@@]1(CNc2c(Cl)cccc2C#N)C[C@H]2CC[C@H]1O2 425277318 FFQHMRFIWSLKEK-KYOSRNDESA-N 276.767 3.581 30 20 CHED CCCc1nc(C)c(C(=O)N(CC#N)c2ccccc2)s1 194659949 TUROGKNCYZZRGC-UHFFFAOYSA-N 299.399 3.574 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OCC)c(OC)c1 426551097 FAKOZXWOBFNPGL-HNNXBMFYSA-N 275.392 3.634 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(C#N)cc1 42099799 QMGBFLPDVPSIRB-NSHDSACASA-N 292.298 3.511 30 20 CHED C=CCC(C)(C)c1nc(-c2cc(OC)ccc2OC)no1 426460606 NRTAHMNMZYKOSV-UHFFFAOYSA-N 288.347 3.608 30 20 CHED C=CCN(C)C(=O)Nc1ncc(C2CCCCC2)s1 429562641 LJVKVZJBCMVMQF-UHFFFAOYSA-N 279.409 3.841 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1C(F)F 425084599 IJTUGTIXCJEHDA-UHFFFAOYSA-N 252.264 3.503 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@H](C)c1ccc(Cl)s1 330479716 MKXSUDBUYJOOFG-YGRLFVJLSA-N 298.839 3.950 30 20 CHED Cc1ccccc1C1CCN([C@H]2CC[C@H](C#N)C2)CC1 334649550 LBQVJYMUWUZTLV-RDJZCZTQSA-N 268.404 3.867 30 20 CHED N#Cc1ccccc1OCCSCCOc1ccccc1 195593618 WFDZFBLBSQDCHD-UHFFFAOYSA-N 299.395 3.749 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CC[C@H](C#N)C1 424326589 MEEMUUYYKZHAON-APNQJHFZSA-N 272.367 3.731 30 20 CHED Cc1ccc(S(=O)(=O)[C@@H](C)c2ccc(C#N)cc2)cc1C 334212016 QYLPVETYUNGJHR-AWEZNQCLSA-N 299.395 3.710 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CC2CCC1CC2 339929193 OTIDEVHLPPQYMO-GPANFISMSA-N 276.424 3.601 30 20 CHED CCN(Cc1cccs1)c1ncc2c(c1C#N)CCC2 425207913 MACHIBJJJOTJKB-UHFFFAOYSA-N 283.400 3.530 30 20 CHED Cc1ccc(-c2cnc(NC(=O)[C@@H](C)C#N)s2)c(C)c1 334308765 IVDKMYHHTVUXFJ-NSHDSACASA-N 285.372 3.525 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2C(=O)NCC(C)(C)C#N)c1 512784518 VBLXFTHTGCDWLJ-MRXNPFEDSA-N 299.418 3.700 30 20 CHED N#CCc1ccc(NC(=O)N[C@H]2CCc3ccccc32)cc1 334355228 AJFBNGXTKITAJL-KRWDZBQOSA-N 291.354 3.562 30 20 CHED C=CCNC(=O)CCCc1ccc(CC(C)C)cc1 513810553 COLDMTDUJKXEME-UHFFFAOYSA-N 259.393 3.510 30 20 CHED CCc1nn(C)cc1/C=C1\C(=O)c2cccc(C)c2[C@@H]1C 92209334 JUWMAGSNUQLLFS-CDCQXCROSA-N 280.371 3.674 30 20 CHED CN(CCOc1ccc2ccccc2c1)CC(C)(C)C#N 433298107 YIIGGVIHTCWNKG-UHFFFAOYSA-N 282.387 3.700 30 20 CHED C=CCCC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 338658877 KHNBDSUHROHYOK-DGCLKSJQSA-N 283.293 3.644 30 20 CHED N#CCN(Cc1cc(Cl)ccc1F)C1CCCC1 93563334 RRIBHUMLFQFECQ-UHFFFAOYSA-N 266.747 3.747 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2NCC2(CC#N)CC2)cc1 430755048 OTCZXAVNWXYSCN-IRXDYDNUSA-N 268.404 3.915 30 20 CHED N#CC1(CN(Cc2ccccc2C(F)(F)F)C2CC2)CC1 343145777 CXUXMMOEHXNOTN-UHFFFAOYSA-N 294.320 3.974 30 20 CHED C[C@H](CCC#N)CN1C[C@@H](C(F)(F)F)CC[C@H]1C 602597924 UJQVCDMUPAXIGG-UTUOFQBUSA-N 262.319 3.589 30 20 CHED C=CC[C@H](C)NC(=O)NCc1cccc(Cl)c1Cl 604897261 PBOMTRRMOOUWQB-VIFPVBQESA-N 287.190 3.757 30 20 CHED C=CCC[C@H](NCc1cccc(-n2ccnc2)c1)C1CC1 438981310 WRYRJFBPYJKFPC-SFHVURJKSA-N 281.403 3.707 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCCCCF 349730014 NHUVVLIOQCIQRO-UHFFFAOYSA-N 250.317 3.507 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cccc(C#N)c1C 432269046 PSIKOGPXVMWFKE-NWDGAFQWSA-N 273.380 3.813 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 437623291 BPHGTYWSAWHRNW-BVIKNXMNSA-N 293.451 3.690 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)C(C#N)(CC)CC 529442169 KNOBOGPIPZGMCJ-ZIAGYGMSSA-N 264.413 3.649 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1cc2ccccc2o1 529130082 OUNRPEWBVUUHJV-GFCCVEGCSA-N 284.359 3.940 30 20 CHED Cc1ccsc1/C=C\C(=O)c1cn(-c2ccccc2)nn1 255127730 YSWAABGPUOCJAV-FPLPWBNLSA-N 295.367 3.533 30 20 CHED CCCCc1cc(Oc2cccc(F)c2C#N)ncn1 601134596 FBFFNONTECZXDN-UHFFFAOYSA-N 271.295 3.622 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](C)C1 345303924 KUSSGEJNJQAKMV-JSGCOSHPSA-N 285.391 3.755 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccc(C)cc1)C1CC1 522653859 XWSWIMVINVARBI-CZUORRHYSA-N 272.392 3.710 30 20 CHED C=C(C)COCCN[C@H](C)Cc1coc2ccccc12 449182451 CEECRAMDFMTHPH-CQSZACIVSA-N 273.376 3.546 30 20 CHED CC[C@@](C)(NCc1ccc(CC#N)cc1)c1nccs1 342725570 KGHBQVGLXMVECB-MRXNPFEDSA-N 285.416 3.624 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1c(C#N)nnc2ccccc12 252124497 JWJUIXIKZQCZRJ-MBNYWOFBSA-N 280.375 3.738 30 20 CHED Cc1cc(CNc2ccc(CCN(C)C)cc2)ccc1C#N 444006299 WLKMUKAVQUSEAU-UHFFFAOYSA-N 293.414 3.583 30 20 CHED Cc1cc(CN2CCC(CC#N)CC2)ccc1Cl 541921023 UISGFEMPTVJZIY-UHFFFAOYSA-N 262.784 3.774 30 20 CHED C=CCC[C@H](NC(=O)c1c(C)ccn1C)c1ccccc1 353626308 WLTVTXSOZFGBPB-INIZCTEOSA-N 282.387 3.771 30 20 CHED C=C(C)CCN[C@H](C)CC(=O)Nc1ccc(C)cc1C 449477488 OZFHKCHSEYKEQY-OAHLLOKOSA-N 274.408 3.576 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@@H](C)C(C)(C)C 355650666 JQJVJTVRHPEMLT-LLVKDONJSA-N 273.380 3.611 30 20 CHED CC(C)(CN=c1ccc(Cl)c(C#N)[nH]1)Cc1ccccc1 609765640 HAHAKMIDOMIRCN-UHFFFAOYSA-N 299.805 3.709 30 20 CHED C=CCCCCCN(C)S(=O)(=O)c1cc(F)ccc1C 606908918 DBAPTJVQHWYWNJ-UHFFFAOYSA-N 299.411 3.501 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc2c(c1)CCC2 606816180 QCNFLWLRFDVXDP-UHFFFAOYSA-N 271.404 3.994 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 268804376 ZVOXYAOPLNATTP-IHRRRGAJSA-N 286.419 3.823 30 20 CHED C=CC[C@@H]1N(Cc2noc(C(C)C)n2)CCCC1(C)C 444788453 VNALRZOQJDBSJJ-ZDUSSCGKSA-N 277.412 3.760 30 20 CHED CCCN(CC(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 354418309 LJUSSPAILZPDNK-QGZVFWFLSA-N 286.419 3.969 30 20 CHED N#Cc1ccc(SCC(=O)C2CCC2)c(Cl)c1 446063331 USZSIFAKEDIOMS-UHFFFAOYSA-N 265.765 3.673 30 20 CHED N#Cc1ccc(SCc2ncc(-c3ccccc3)o2)nc1 352935668 KPGGGSLJEBUZJB-UHFFFAOYSA-N 293.351 3.901 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(CS(=O)(=O)CC)cc1 449769323 BUHCMLOFIZOFST-OAHLLOKOSA-N 295.448 3.778 30 20 CHED N#Cc1cccnc1/C=C/C=C\c1ccccc1[N+](=O)[O-] 352005667 DXYWKOWKKHBZPI-NRBBUYPTSA-N 277.283 3.588 30 20 CHED CC#CCN1CC=C(c2c[nH]c3cc(C)ccc23)CC1 533351226 KOARDNYPRNXPMZ-UHFFFAOYSA-N 264.372 3.589 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCC(F)(F)C1 619535305 AHYRZXFBCKUONK-BBRMVZONSA-N 290.357 3.961 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OC)c(OCC)c1 352536517 GNKSBGZGHNJPKH-UHFFFAOYSA-N 292.379 3.572 30 20 CHED N#Cc1cccc(S[C@H](C#N)Cc2ccccc2)c1 610722493 MEMRIOPVTXJGDS-INIZCTEOSA-N 264.353 3.785 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@H]1CCc2cc(C#N)ccc21 618732682 CSEJSTGHIPWBMF-DYVFJYSZSA-N 284.403 3.734 30 20 CHED C=CCN(C(=O)c1ccc(N(CC)CCC)cc1)C1CC1 357946002 SMSKILRFYSIIRM-UHFFFAOYSA-N 286.419 3.714 30 20 CHED C=CCC1(NC(=O)[C@H](CC)OC2CCCC2)CCCC1 619107937 MCFMYTOALYNOIO-HNNXBMFYSA-N 279.424 3.729 30 20 CHED Cc1noc([C@H](C)SCc2ccc(C#N)cc2C)n1 614394758 PCMOIYSULUTKBE-JTQLQIEISA-N 273.361 3.553 30 20 CHED CC[C@@H](C)CN(C)c1c(C#N)cnc2c(F)cc(F)cc12 352314592 KMYUFXUZWASVLB-SNVBAGLBSA-N 289.329 3.867 30 20 CHED C=C[C@@H](C)N[C@H](CC)c1ccccc1OC(F)F 358308770 ZDWYCDBXTFTISN-ZYHUDNBSSA-N 255.308 3.903 30 20 CHED C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cncc(F)c1 359216837 ADJYKPITESXCJD-VXGBXAGGSA-N 269.323 3.504 30 20 CHED Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)c2cccnc2c1C 442830535 STOVSLUXAJZCTO-ZIAGYGMSSA-N 265.360 3.956 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(Cl)cc2cccnc12 452779925 VXQXXUPHAWDRCY-UHFFFAOYSA-N 288.778 3.830 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2cccc(CC#N)c2)s1 455922998 RTWVSFANVFEUFC-UHFFFAOYSA-N 299.399 3.787 30 20 CHED N#Cc1cccc(OCCNC2(c3ccccc3)CCC2)c1 533351735 CBWTUBTVSOACTH-UHFFFAOYSA-N 292.382 3.606 30 20 CHED C=CCCNC(=O)[C@H](C)c1ccccc1C(F)(F)F 617615918 BVRAKSZWTOQHFM-SNVBAGLBSA-N 271.282 3.501 30 20 CHED C=C(CC)CNC(=O)Nc1c(C)noc1-c1ccccc1 455164037 UZTQQHKSYNFBGI-UHFFFAOYSA-N 285.347 3.738 30 20 CHED C=C[C@H](C)NC(=O)N[C@H]1CCC(C)(C)c2ccccc21 362379228 JLNXYJHJQYBJEB-WFASDCNBSA-N 272.392 3.673 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(CC2CC2)CC2CC2)c1 455959504 VJVOPPHPBRTKLB-UHFFFAOYSA-N 283.375 3.521 30 20 CHED C=CCCC(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 456713618 HFQSMDPSXAVEKR-UHFFFAOYSA-N 293.357 3.712 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ncnc2ccccc12 618622350 AGEPUGDUULPDHV-QGZVFWFLSA-N 286.338 3.601 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)c1cccc(F)c1 452771667 AOGIGNQBERPQEB-GFCCVEGCSA-N 263.356 3.648 30 20 CHED Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1C#N 618741302 DRLNRRHHBZDBRM-IBGZPJMESA-N 287.366 3.515 30 20 CHED CC(C)OCCCN[C@H]1CCCCc2cc(C#N)ccc21 360655220 CHLBHPBUIZYMIB-SFHVURJKSA-N 286.419 3.730 30 20 CHED CC(C)(C)c1cnc(SCC2(C#N)CCC2)o1 450862703 ADZVCGYAQULDDB-UHFFFAOYSA-N 250.367 3.758 30 20 CHED C#CCCCCC(=O)N1CCCCC[C@H]1c1ccncc1 271399390 UPACBKLCCPYYBZ-KRWDZBQOSA-N 284.403 3.719 30 20 CHED C[C@H]1C[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)CCO1 361705586 QWNNAJKIJOQCAT-WDEREUQCSA-N 298.308 3.804 30 20 CHED CC[C@H](N[C@@H]1CCCC[C@H]1OC)c1ccc(C#N)cc1 278768261 PAGOIVYLUUKCJI-GVDBMIGSSA-N 272.392 3.557 30 20 CHED C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)c(F)c1 272706368 ZTQUIJMFWBOVQB-NHYWBVRUSA-N 290.382 3.694 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(C2CCC2)c1 451910887 PALBHGVOPPMYQZ-UHFFFAOYSA-N 279.343 3.715 30 20 CHED C=CCC[C@@H](CC)NCC1([C@@H](C)CCO)CCC1 540605105 BVFGGZXOMXIOIN-LSDHHAIUSA-N 253.430 3.510 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@@H]1C(C)C 362956243 XCYJNTFMEGGCTF-CQSZACIVSA-N 275.417 3.835 30 20 CHED C=C(C)[C@H](N[C@@H]1C[C@H](C)O[C@@H]1C)c1ccc(F)c(F)c1 451154811 MKCKGFYQSGBUHD-TZCMFKBTSA-N 281.346 3.738 30 20 CHED C=CCCCCNC(=O)c1cc(-c2cccc(F)c2)no1 545310532 HWLHUGICRNBMSO-UHFFFAOYSA-N 288.322 3.567 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccccc1C)C1CC1 276116722 FIMDVVFWSWAOLK-MRXNPFEDSA-N 272.392 3.664 30 20 CHED N#Cc1cc(F)c(N2CCC[C@@]3(CCSC3)C2)c(F)c1 450906084 QDFYVLWKGXVLKE-OAHLLOKOSA-N 294.370 3.560 30 20 CHED CN(C(=O)C(C)(C)Cc1ccc(C#N)cc1)C1CC(C)(C)C1 458191343 KMABECAPAOWZQC-UHFFFAOYSA-N 298.430 3.774 30 20 CHED CS[C@H]1CCC[C@H](Nc2cc(C(C)=O)ccc2C#N)C1 273266055 YUKWTRCCAZNYAH-GJZGRUSLSA-N 288.416 3.847 30 20 CHED N#CCCCCN[C@H]1CCCCc2cc(C#N)ccc21 360841955 UTRCOVJJURRRGZ-KRWDZBQOSA-N 267.376 3.609 30 20 CHED N#Cc1cc(N2CCC[C@H]2c2ccsc2)ccc1[N+](=O)[O-] 274219582 NGKNIGINYWDOLB-AWEZNQCLSA-N 299.355 3.869 30 20 CHED C=CCCc1noc([C@H]2C[C@H]2c2sccc2C)n1 453238608 QTJZARRZSIUIMO-MNOVXSKESA-N 260.362 3.829 30 20 CHED C=CCN(C(=O)C[C@H]1C[C@H]1C)c1nc2c(s1)CCCC2 361348036 GOYBGMJHOKRWME-VXGBXAGGSA-N 290.432 3.587 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(CCCC(C)(C)C#N)C1 363830504 UVMMUXJHPGVVGE-HOCLYGCPSA-N 271.408 3.794 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(CO)c1 271961997 LUAORYLOENQTTE-KXBFYZLASA-N 294.398 3.875 30 20 CHED C=CCCO[C@@H](C)c1nc([C@H](C)c2cccs2)no1 273796783 GCOLLBUMVPECJC-MNOVXSKESA-N 278.377 3.937 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCCC(C)(C)C2)c1 456007547 RMCXNTXCQYMMCC-UHFFFAOYSA-N 271.364 3.521 30 20 CHED C=CCN(C(=O)C[C@@H](CC)c1ccc(OC)cc1)C1CC1 271444559 CWHIIMXGXJQNGN-CQSZACIVSA-N 287.403 3.756 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 460597077 DFBQOKYQPTVLNJ-BHYGNILZSA-N 299.414 3.950 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)c1ccccc1 464517552 DORRKQICVARFRV-JKSUJKDBSA-N 257.377 3.747 30 20 CHED C#CC[C@H](NCc1cccc(COC)c1)c1ccccc1 270140174 AUMRQENKLZHNQA-IBGZPJMESA-N 279.383 3.687 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cccc2c1OCCC2 466392076 NZKIVSNYGQUZSN-GFCCVEGCSA-N 259.349 3.552 30 20 CHED C[C@H](C(=O)NC1CCC(C)(C)CC1)c1cccc(C#N)c1 462151435 ODRKTUGGBHYZMF-ZDUSSCGKSA-N 284.403 3.747 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H]3CC[C@H]2C3)C1 628062397 FHQNEQQRHJUOQC-AESZEHBQSA-N 261.409 3.627 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C1(C#N)CCCCC1 282232408 VANIKZIMIQVSSN-UHFFFAOYSA-N 282.343 3.500 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(CSC)cc2)no1 289085282 JJGVJPNHAGMKKD-OAHLLOKOSA-N 287.388 3.791 30 20 CHED C=CC[C@@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 468655144 HGVQTQAXCHXCGU-CNELAYHGSA-N 260.337 3.552 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C(C)(C)C)ccc1O 285694901 HFKJSMZHFATUSW-INIZCTEOSA-N 274.364 3.568 30 20 CHED CN(CC[C@H]1CCCCN1C)c1cc(Cl)ccc1C#N 463069740 MCNKCEAVIWSZAY-OAHLLOKOSA-N 291.826 3.522 30 20 CHED C=CCCCC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 374976084 COTRXZHLBXCOQM-LBPRGKRZSA-N 289.341 3.924 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(c2ccc(C#N)nc2)C1 286315630 IJLDJSBRQNVXAI-CXAGYDPISA-N 263.344 3.541 30 20 CHED CC[C@@H]1CC[C@@H]1NCCSCc1ccccc1C#N 554349560 WJALDPJIANBZGH-CJNGLKHVSA-N 274.433 3.570 30 20 CHED C[C@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)c(F)c1 553791788 PGWGODOGNDWOIM-DUPGQFARSA-N 272.367 3.784 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@@H]1C 554372723 SWRQYIFAQGBVRL-OVZMXSCWSA-N 263.356 3.838 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCCCC12CCCC2 464538620 PMUOYVVXVQEJFY-OAHLLOKOSA-N 276.424 3.873 30 20 CHED CCCN(CC(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 281040311 ZHGLIDXCZBSTHX-UHFFFAOYSA-N 286.419 3.996 30 20 CHED CC(C)(C)CCC(=O)N[C@@](C)(C#N)C1CCCCC1 555903070 ZIINHUNVNXZJGF-INIZCTEOSA-N 264.413 3.791 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1Cl)c1cccc(O)c1 383603481 BXJJFYAHQDGNDW-LLVKDONJSA-N 286.762 3.768 30 20 CHED C[C@@H](NCc1ccc(F)cc1C#N)C1CCCCC1 553095182 JQUSEAGTXNSQBE-GFCCVEGCSA-N 260.356 3.756 30 20 CHED C#CCOc1ccccc1-c1noc([C@H]2C[C@]2(C)C(C)C)n1 809395628 OHNZGMOJYFKHCK-RDTXWAMCSA-N 296.370 3.898 30 20 CHED C=CCCCC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 478264302 ULKRSUARUVYKQW-ZBFHGGJFSA-N 275.367 3.934 30 20 CHED C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(C#N)cc1 297177774 KCYWASMSNFTDHM-SCLBCKFNSA-N 294.354 3.637 30 20 CHED Cc1nc(N[C@@H](c2ccccc2)[C@H]2CCCO2)ccc1C#N 291943255 MZSOILOFUAKTIL-AEFFLSMTSA-N 293.370 3.594 30 20 CHED CN(C(=O)CC(C)(C)C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 558345238 QSNPPVDXFAQIOI-PHIMTYICSA-N 290.329 3.506 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(Cc3ccc(F)cc3)CC2)C1 293196124 UCQQPYQDITUICG-WMZOPIPTSA-N 286.394 3.772 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)[C@@H]1CC2CCC1CC2 381663906 KDONNLFGTLZCOZ-QCNKBUPASA-N 298.430 3.893 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1O[C@@H](C)C#N 295626096 AWALPLKLEGMADR-MJBXVCDLSA-N 286.375 3.742 30 20 CHED C#C[C@H](NC1CCN([C@H]2CCCC[C@@H]2C)CC1)C(C)(C)C 809781228 JVGYVQIMFUMLDV-SZMVWBNQSA-N 290.495 3.667 30 20 CHED C=CCCCCCCNC(=O)/C=C/c1cnccc1C 805220168 GCHVQFXKOKCAIY-MDZDMXLPSA-N 272.392 3.656 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)CC1 476290279 SKDVRBVNQDPIJC-HNNXBMFYSA-N 287.378 3.888 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(C)c(OC(F)F)c1 806271879 RFALNORRSPIYTB-NSHDSACASA-N 296.317 3.520 30 20 CHED C=CCC[C@@H](NCCn1cnc2ccccc21)c1ccco1 560527948 GJXXRYOPQCTBEE-MRXNPFEDSA-N 295.386 3.926 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(C2=CCCC2)cc1 292254127 FPTQYQVAHUMJAS-UHFFFAOYSA-N 280.371 3.796 30 20 CHED C=CCCCCNC(=O)[C@@H]1CCOc2ccc(Cl)cc21 471668573 REWFRWYVHUJSQS-CYBMUJFWSA-N 293.794 3.679 30 20 CHED CSCc1cnc(CN(CCC#N)CC(C)(C)C)s1 295501732 YLTGCQOBHAPEBI-UHFFFAOYSA-N 297.493 3.768 30 20 CHED CC(C)CN(CC#N)[C@@H](C)c1ccccc1Cl 563523761 QBCUMNCRYIRBDG-LBPRGKRZSA-N 250.773 3.883 30 20 CHED C#C[C@H](NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1)C(C)(C)C 808314880 LCXWBWFNIPIRCU-XIRDDKMYSA-N 298.430 3.827 30 20 CHED Cc1ccc(OCCCSCCO[C@@H](C)C#N)cc1C 802750133 XRYINWSXMPVDLP-HNNXBMFYSA-N 293.432 3.734 30 20 CHED COc1ccc2c(NCC(C)(C)CCC#N)ccnc2c1 808093782 UPHNYPNKUHLOTM-UHFFFAOYSA-N 283.375 3.985 30 20 CHED CCCC[C@@H](S[C@H](C#N)C1CCCCC1)C(=O)OC 475885025 RWBJVEPPBZHWOG-ZIAGYGMSSA-N 283.437 3.924 30 20 CHED CCc1cnccc1C(C)=NNc1nccnc1C1CCC1 807991268 KCERGZVVWPBJHJ-UHFFFAOYSA-N 295.390 3.538 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 475128842 KOUKRPLVXVOXBV-ZMSDIMECSA-N 286.419 3.614 30 20 CHED C=CCCCC(=O)NCCCCOc1ccc(Cl)cc1 479503165 NPOXLKLZTVTFBQ-UHFFFAOYSA-N 295.810 3.972 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@](C)(C#N)C2CCCCC2)C1 562778213 IXHSVWGVZFUPRW-JKIFEVAISA-N 276.424 3.791 30 20 CHED C#CCCc1noc(Cc2cccc(Cl)c2Cl)n1 809398275 WMISYZDHCWNHAX-UHFFFAOYSA-N 281.142 3.533 30 20 CHED C[C@@H](C#N)OCCN(C1CC1)[C@H](C)c1ccc(Cl)cc1 801930393 OPTQHGQKPZCTSN-QWHCGFSZSA-N 292.810 3.794 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnc(C)c(Cl)c1Cl 488883903 XQOWABLGAWDWQJ-JTQLQIEISA-N 299.201 3.878 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccc(OC)c(O)c1)c1ccncc1 810217897 BVFBGLWFSZMHIQ-XJKSGUPXSA-N 298.386 3.764 30 20 CHED C=C[C@H]1CCCCN1C(=O)C1(Cc2ccccc2)CC1 488884359 RFFMUSCFEJBXFC-INIZCTEOSA-N 269.388 3.576 30 20 CHED COc1ccc(C(=O)/C=C/C=C\c2ccc(F)cc2)cc1O 811698686 NDIWBLFBFXKLTE-VOERYJCWSA-N 298.313 3.992 30 20 CHED Clc1ccc(C=NNc2nc3ccccc3s2)o1 814684949 KWWGLIJJQALOCE-UHFFFAOYSA-N 277.736 3.989 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(C)c2ccccc12 563320346 QAHMGXQBVIYURC-QGZVFWFLSA-N 266.344 3.570 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1c(F)cccc1Cl 815749102 SGPKQSIBIVGRJW-MRVPVSSYSA-N 291.700 3.868 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 481687240 PPTLFVFFTXUJOJ-GFCCVEGCSA-N 297.333 3.889 30 20 CHED CC(=NOC1CCC1)c1cccc(OC(F)F)c1 812237770 DEIOCQHVSGCNBG-UHFFFAOYSA-N 255.264 3.581 30 20 CHED CC(C)N(CCC#N)C[C@@H](C)c1cc(F)cc(F)c1 572827576 DDGCBVJWQRAXJP-GFCCVEGCSA-N 266.335 3.692 30 20 CHED C=CCCCCCS[C@H](C)C(=O)NCC(C)C 485584751 WPJMQMVWCHDMCK-CYBMUJFWSA-N 257.443 3.627 30 20 CHED CO[C@](C)(C=NNc1cccc(Cl)c1F)C1CC1 814819225 XYPLKUSMTAFQNR-CYBMUJFWSA-N 270.735 3.692 30 20 CHED CCCC[C@H](C)N(C)C(=O)/C=C\c1ccccc1C#N 811958531 USJWBMMFCSFQCU-NYHXXUGCSA-N 270.376 3.609 30 20 CHED CCC(=NNCc1ccccc1Cl)c1cccc(N)c1 814812676 IEOIRPXUJJQNLZ-UHFFFAOYSA-N 287.794 3.826 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)CCC1 570165448 YBBHEJNDFAYVNO-HNNXBMFYSA-N 284.403 3.738 30 20 CHED Cc1ccc(C=NNc2nc(-c3ccccc3)no2)c(C)c1 726739075 CARVQHCZXJTSIR-UHFFFAOYSA-N 292.342 3.799 30 20 CHED N#CCCC1CCN(C/C=C/c2ccc(F)cc2)CC1 578508075 PZMBCAXZEAZJGT-DUXPYHPUSA-N 272.367 3.855 30 20 CHED FC(F)(F)c1ccccc1NN=C1CCn2cccc21 818200778 CQDPBJQRXWSTNE-UHFFFAOYSA-N 279.265 3.727 30 20 CHED C#CCCCC(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 817461458 RMBNMUYEABRDHI-GOSISDBHSA-N 287.378 3.553 30 20 CHED Cc1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1 727640953 WTCJNNUQOZMTEH-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(Oc2ccccc2)cn1 573902048 RRGHGIUXBOFKSF-UHFFFAOYSA-N 294.354 3.688 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)OCC(C)(C)CCC#N 820966839 WYXVHGPFIXMRFN-CHWSQXEVSA-N 251.370 3.686 30 20 CHED CCC[C@@H](CCc1ccccc1)NC(=O)C1(C#N)CC(C)C1 573554212 VMDIUNCZQKQDIT-RMXPPQQLSA-N 298.430 3.844 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1nccnc1-c1ccccc1 663869796 DEONAQIHNIPVAP-NVXWUHKLSA-N 295.386 3.537 30 20 CHED N#Cc1cc(F)ccc1COC(=O)/C=C/c1ccsc1 728614639 GWJVYVNHZNJXSI-DAFODLJHSA-N 287.315 3.515 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(C#N)ccc1F 829015678 GJIGWNGSEHPQIS-WBMJQRKESA-N 288.366 3.738 30 20 CHED C[C@H](C#N)OC(=O)[C@H](C)c1c(Cl)cccc1Cl 726027884 CZCCRONMAZAUOY-HTQZYQBOSA-N 272.131 3.552 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cscc2C)C1 666421077 XQSGQVUSARXWTM-LBPRGKRZSA-N 264.394 3.877 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccnn1C(C)(C)C 666787815 OVJLTNHQFOJFIB-UHFFFAOYSA-N 278.400 3.504 30 20 CHED O=C(/C=C\c1ccc2oncc2c1)c1ccc([N+](=O)[O-])cc1 821021402 FQOZUDDAXKWHKB-XFSBKJJWSA-N 294.266 3.632 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccccc1CC(C)(C)C 906005875 FHLQJKBOPYENMH-AWEZNQCLSA-N 272.392 3.649 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)CCCCCC#N 588824269 YQZHOXXUXSVWCV-CQSZACIVSA-N 270.376 3.828 30 20 CHED C=CCCCCCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 581635973 BWWVQIFLEASWSZ-GJZGRUSLSA-N 251.414 3.622 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1nc2ccc(Cl)cc2[nH]1 736288427 RDQRLEGIBPZWTI-SECBINFHSA-N 297.749 3.656 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)cn1 732940716 YHLCLWDCJRTUKC-GOSISDBHSA-N 292.382 3.532 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(O)Cc1ccc(F)cc1 901371797 IHJNHYHNROXNNA-ZFWWWQNUSA-N 279.355 3.760 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1cncn1Cc1ccccc1 909524261 FNDFVBAIEFJYDP-HNNXBMFYSA-N 298.386 3.577 30 20 CHED C#CCOc1ccc(CNC/C=C\c2ccccc2)cc1 733326550 KKJLNHADVXRXKQ-TWGQIWQCSA-N 277.367 3.502 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@@H]2CCCF)cc1F 835009544 VBNLFTKYPPVIAQ-SNVBAGLBSA-N 296.317 3.842 30 20 CHED N#C[C@@H](NC(=O)/C=C\c1ccccc1)c1ccc(Cl)cc1 730092427 IEZSJPLWCKTRRH-BDJZEXMMSA-N 296.757 3.734 30 20 CHED C=CC1CCN(C(=S)Nc2cc(C)ccc2F)CC1 731943414 YDYQUNXRFRWUEM-UHFFFAOYSA-N 278.396 3.729 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)CCCCCC#N 588892203 JQJLFTKMFHVVIY-UHFFFAOYSA-N 299.374 3.758 30 20 CHED CC[C@](C)(NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 730760785 NGZDNSOPRMEJPL-IBGZPJMESA-N 292.382 3.542 30 20 CHED C=CCCNC(=O)Nc1cccc(N2CCC(C)CC2)c1 666146369 YYYAMXSRYAVEBF-UHFFFAOYSA-N 287.407 3.621 30 20 CHED C=CCCNC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 665946110 SUTMHWUTCLPWDT-CQSZACIVSA-N 272.392 3.573 30 20 CHED CCc1ccccc1COC(=O)[C@]1(C#N)CC12CCCC2 837904229 WSSBIEFPPOSZDI-GOSISDBHSA-N 283.371 3.766 30 20 CHED CC(C)(Oc1cccc(Cl)c1)C(=O)OCCCCC#N 733012850 WLBNMOODXOXEAZ-UHFFFAOYSA-N 295.766 3.734 30 20 CHED C#CC(C)(C)NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 737854562 MXBOZKIYBNCSIT-AWEZNQCLSA-N 271.404 3.832 30 20 CHED C#CCOc1cccc(NC(=O)C=C2CCC(C)CC2)c1 734103694 YNHIWFMKOPYOAN-UHFFFAOYSA-N 283.371 3.774 30 20 CHED CC(C)c1csc(SCc2cc(C#N)ccn2)n1 901574512 ZQNCHUHFFWCWFU-UHFFFAOYSA-N 275.402 3.825 30 20 CHED Cc1ccsc1C=NNc1ccc(Br)nc1 732712809 IJIMUWQRAIAQKY-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(Cl)c1Cl 674988281 LUWKIDLRWNFIDP-ZETCQYMHSA-N 259.136 3.689 30 20 CHED C[C@@H]1CC(=NNc2ccccn2)CCN1Cc1ccccc1 734295268 UZVSERIRSOUSJH-OAHLLOKOSA-N 294.402 3.534 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C1=CC[C@H](C)CC1 836713425 QXRPABSAIYXMRQ-LBPRGKRZSA-N 287.334 3.523 30 20 CHED Clc1cncc(NN=C(CC2CC2)c2ccccc2)n1 735972296 VULZRBWBHYFOMP-UHFFFAOYSA-N 286.766 3.746 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)cc1F 731489684 JHLDYZCMQKROLI-TWGQIWQCSA-N 298.313 3.657 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)OCCCC#N 734057465 YEXJWJUWEVHNBP-CQSZACIVSA-N 251.370 3.830 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CSc2ccc(F)cc2)C1 839045162 YAWSMPXZVLCZDJ-WCQYABFASA-N 293.363 3.543 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@H]3C)c2C#N)[C@H](C)C1 590999475 UFLRJKJGWOUQIJ-LNFKQOIKSA-N 288.416 3.900 30 20 CHED N#CC[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 597914959 JMBANVDHWCLEPV-INIZCTEOSA-N 296.414 3.651 30 20 CHED Oc1ccccc1/C=N\C[C@@H]1CCCc2ccccc21 912962678 YNQCABXORQYOIF-CCNLRRDASA-N 265.356 3.931 30 20 CHED C#C[C@@H](C)OC(=O)c1cnc(-c2ccccc2Cl)s1 744178482 UHXTXELVTJXPAP-SECBINFHSA-N 291.759 3.642 30 20 CHED CCC[C@H](C)C(CC)=NNc1ccccc1S(C)(=O)=O 748250235 ACJIQOJRSPWAGP-LBPRGKRZSA-N 296.436 3.704 30 20 CHED C[C@@H]1CCc2sc(C(=O)OCC3(CC#N)CC3)cc2C1 744275936 AWVNOIKQJTVHNY-LLVKDONJSA-N 289.400 3.724 30 20 CHED C=CCN(C(=S)Nc1cc(C)cc(C)c1)C(C)C 917589355 RSMMQOCCLADWNM-UHFFFAOYSA-N 262.422 3.897 30 20 CHED Cc1cc(C=NNc2ccc(C(=O)O)cc2)c(C)n1C1CC1 916240920 WFHCZMZSYBELQO-UHFFFAOYSA-N 297.358 3.584 30 20 CHED CC1(CC(=O)Oc2cccc(OCC#N)c2)CCCCC1 841346312 XZTFHJQUWGIKKB-UHFFFAOYSA-N 287.359 3.855 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC([C@H]2CCCCO2)CC1 595781709 GDUFCPQLXGEZQY-HNAYVOBHSA-N 298.430 3.900 30 20 CHED C=C[C@@H](C)NC(=O)CCn1c2ccccc2c2ccccc21 674958007 WQQUHFFBHKZWCR-CQSZACIVSA-N 292.382 3.875 30 20 CHED CC(C)(F)CCN[C@H]1CCCc2cc(C#N)ccc21 595086606 MCPHGFDGQFESOY-HNNXBMFYSA-N 260.356 3.663 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ccnc(C)n1 918171299 YZKDNCQTZYAQRT-ZDUSSCGKSA-N 277.412 3.511 30 20 CHED CC(=NNc1cncc(Cl)n1)[C@H](C)c1ccccc1 746368651 HVOHLRLWCLSNJP-JTQLQIEISA-N 274.755 3.722 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1ccc(OC)cc1)C(C)C 918058230 BUZHJQMXUYAPAK-INIZCTEOSA-N 290.407 3.752 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)[C@@H](c1ccccc1)C(C)C 845634333 SWOUFKYJELWYPS-UKRRQHHQSA-N 276.380 3.531 30 20 CHED CSCCc1ccc(NC(=O)C#Cc2ccccc2)cc1 747381488 XPOPGYJBNORQGL-UHFFFAOYSA-N 295.407 3.582 30 20 CHED COCC1CCC(NCc2ccc(C#N)c(Cl)c2)CC1 590653572 QQVJGAUECCFXPM-UHFFFAOYSA-N 292.810 3.506 30 20 CHED C=CCN(Cn1cc(-c2ccc(C)cc2)cn1)C(C)C 748293669 ZETMEXWKRJWUIA-UHFFFAOYSA-N 269.392 3.712 30 20 CHED N#Cc1ccc(CCN[C@H]2CCC[C@H](C3CC3)C2)cc1 595056247 SKXMGJZTPHYOJB-ROUUACIJSA-N 268.404 3.659 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2ncc(C#N)cc2C)n1 590285321 LDSWWAJMTDDAMM-KGLIPLIRSA-N 296.374 3.996 30 20 CHED C=C(Cl)COC(=O)Cc1csc(-c2ccc(C)o2)n1 914814362 KMZRHFPEVKYUEU-UHFFFAOYSA-N 297.763 3.550 30 20 CHED C#Cc1ccc(C(=O)N2CCCC3(CCCCCC3)C2)nc1 742852406 SLGIVZNCIUZDII-UHFFFAOYSA-N 296.414 3.640 30 20 CHED C=C(Cl)Cn1c(-c2ccccc2)c(CC)sc1=O 747809914 HHKACQWAEAUTSL-UHFFFAOYSA-N 279.792 3.892 30 20 CHED CCN(C)c1ccccc1CNCC(C)(C)CCC#N 742369955 LIIBCILQYUXLBN-UHFFFAOYSA-N 273.424 3.562 30 20 CHED CC#CCOC(=O)c1ccc(-c2ccc(F)cc2)cc1F 744965224 OJXLMSRZRCONKD-UHFFFAOYSA-N 286.277 3.812 30 20 CHED CC(=NOCC(C)C)c1ccc(Br)cc1O 749631813 RBTMMASFVOXXHE-UHFFFAOYSA-N 286.169 3.551 30 20 CHED Cc1cc(C#N)ccc1N1CCC(C2CCOCC2)CC1 846756359 XLXIIJRMZLVIFD-UHFFFAOYSA-N 284.403 3.510 30 20 CHED C#C[C@@H](CC)NC(=O)N(CCC)[C@@H](CC)c1ccccc1 753242376 CGPHGSXBLFYYCM-IRXDYDNUSA-N 286.419 3.971 30 20 CHED Cc1ccoc1C(=O)/C=C/c1nc(Cl)cs1 759083146 LTOIJQVRMJHMST-NSCUHMNNSA-N 253.710 3.594 30 20 CHED CC[C@@H](C)Cc1noc(-c2cc(C#N)ccc2C)n1 924152428 KPVKLNZLPMLARS-SNVBAGLBSA-N 255.321 3.505 30 20 CHED C=CC[C@H](CC)NC(=O)NCC(C)(C)c1ccccc1 684886738 SASUWDDLPMMPMY-HNNXBMFYSA-N 274.408 3.618 30 20 CHED C#Cc1cccnc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 853431896 MKLXPIGDFVFPFB-AAEUAGOBSA-N 282.309 3.844 30 20 CHED C#CCCCCN[C@@H](C)c1cc(C)c(OC)cc1C 753680730 AAIYQULCKUFQPC-HNNXBMFYSA-N 259.393 3.766 30 20 CHED C#C[C@H](CC)NC(=O)c1cnc(-c2ccc(C)cc2C)s1 754394241 VJFZIGKGTJACQZ-CYBMUJFWSA-N 298.411 3.569 30 20 CHED CC(C)(C)Sc1ccc(Nc2cc(C#N)cnn2)cc1 853253885 IGPYZBRCOKPFTF-UHFFFAOYSA-N 284.388 3.982 30 20 CHED Cc1ccccc1OCCON=Cc1ccc(F)cc1 852155388 GTKYDZHBVLHOJW-UHFFFAOYSA-N 273.307 3.564 30 20 CHED Cc1ccc(O)c([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c1 756856743 LCSCDOXROLAWEI-CQSZACIVSA-N 292.382 3.912 30 20 CHED C#Cc1cccc(NC(=O)C2(CC(C)C)CCC2)c1 756908125 AQBDPMBFXAVSCC-UHFFFAOYSA-N 255.361 3.823 30 20 CHED CC[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 758912485 RUHAGRXSBAKVBC-MRXNPFEDSA-N 297.329 3.934 30 20 CHED CC(C)OCCON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853349030 QUMNBIRQWMPDGT-VXGBXAGGSA-N 281.318 3.783 30 20 CHED CCCCCCCCCCN1CCc2nc[nH]c2C1 929071785 CTWJCVQIJPZQCW-UHFFFAOYSA-N 263.429 3.909 30 20 CHED C#Cc1ccc(C(=O)N(Cc2ccsc2)C(C)(C)C)nc1 857640497 STZCTQLFNQNBJL-UHFFFAOYSA-N 298.411 3.565 30 20 CHED C=CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1 759781349 FXBYVNZRAVNNHY-LUAWRHEFSA-N 298.773 3.967 30 20 CHED C=C(Cl)CSCc1csc(C(=O)OC)c1 853784727 WLHDVQPAXSVWCV-UHFFFAOYSA-N 262.783 3.520 30 20 CHED C=C[C@H](C)NC(=O)/C=C/c1ccc2cc(OC)ccc2c1 757007176 ZAHAMXSSKWZEBK-PPOCWRSBSA-N 281.355 3.552 30 20 CHED C#CCCCC(=O)Nc1ccc(OCCC)c(C)c1 863530189 UKTRVDLXTCIUPS-UHFFFAOYSA-N 259.349 3.526 30 20 CHED Cc1cc(/C=C\C(=O)c2cccs2)ccc1C#N 766482571 BOSKMKOIQCZOBA-ALCCZGGFSA-N 253.326 3.824 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(-c2cccnc2)cs1 935909955 ZAMGQVICOFDFMT-NSHDSACASA-N 287.388 3.746 30 20 CHED CC(CCc1ccc(C)cc1)=NOCC(F)(F)F 764834084 AKHIEVSUHVXWAQ-UHFFFAOYSA-N 259.271 3.882 30 20 CHED CCCCCCOc1cccc(CN(CC)CC#N)c1 769000341 SYJAWQYHQNZIIU-UHFFFAOYSA-N 274.408 3.991 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(-c2ncco2)c1 935071369 OGEOOUOLYHYNAI-LBPRGKRZSA-N 270.332 3.882 30 20 CHED C#CCCc1noc([C@H](C)Oc2ccc(Cl)cc2C)n1 762017620 IQKATFMIMNWADD-NSHDSACASA-N 290.750 3.737 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccnc(Cl)c2)CCCC1(C)C 767218445 IRMQKJKMGXBQMH-ZDUSSCGKSA-N 292.810 3.942 30 20 CHED CCN(Cc1cccc(C#N)c1)Cc1ccccc1C 48059264 XVRDAXHMFZUVIH-UHFFFAOYSA-N 264.372 3.889 30 20 CHED CC#CCCCC(=O)N[C@@H](C)Cc1ccccc1Cl 767049961 GIMXEMXXDJQPFF-ZDUSSCGKSA-N 277.795 3.581 30 20 CHED CCON=Cc1cn(Cc2ccccc2)nc1C(C)(C)C 763354530 QKQDEBXKMJBPEL-UHFFFAOYSA-N 285.391 3.599 30 20 CHED Oc1nc2ccccc2cc1/C=N/[C@@H]1CCC(F)(F)C1 763097130 PRAKJWYEMGEHDS-KBSHCFNASA-N 276.286 3.547 30 20 CHED C#CCCNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 760291388 JKLZUVBBIATTMQ-UHFFFAOYSA-N 292.810 3.694 30 20 CHED Cc1ccc(F)c([C@@H](C)OC(=O)c2ccc(C#N)s2)c1 764338040 JKFPXYGRPUIGEZ-SNVBAGLBSA-N 289.331 3.985 30 20 CHED C=CCc1cc(CN(CC)CCC2CC2)c(O)c(OC)c1 760538896 PORBOGAJWVYFSQ-UHFFFAOYSA-N 289.419 3.751 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccccc2)cnc1Cl 760253784 MEACPLVODKSTHQ-LBPRGKRZSA-N 273.767 3.728 30 20 CHED Cc1cc(C)nc(NN=C[C@@H](C)c2cccc(Cl)c2)n1 763339783 RLZMWRAGKYYPOI-SNVBAGLBSA-N 288.782 3.948 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1F 872065797 BWHNNTWYZQFRJD-MEDUHNTESA-N 296.345 3.741 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(Cl)c(F)c2)cc1 761912578 IYOFSSCUCWVPLK-UHFFFAOYSA-N 275.666 3.570 30 20 CHED CCOc1ccc(NC[C@@H](C)CCC#N)c2ncccc12 877380195 WWCORBOBSJLKTP-ZDUSSCGKSA-N 283.375 3.985 30 20 CHED C=CCSc1ccccc1C(=O)O[C@H]1CCCCC1=O 777076778 UDVWTDWIRQVZOZ-AWEZNQCLSA-N 290.384 3.633 30 20 CHED COC[C@@H](C)C(C)=NOCc1ccc(C(F)(F)F)cc1 777887287 FQYHFLGDLMOYIA-SNVBAGLBSA-N 289.297 3.880 30 20 CHED C[C@@H](CCC#N)CNCc1cccc(Cl)c1F 1119243282 ONXBPWHUSBTFMM-JTQLQIEISA-N 254.736 3.509 30 20 CHED COC(=O)c1cccc(NN=Cc2ccc([C@H]3C[C@H]3C)o2)c1 779826633 ADADOZMURZGXHO-ABAIWWIYSA-N 298.342 3.636 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc2ccc(Cl)cc2n1 878187892 APGMSGNLZXRLMQ-NSHDSACASA-N 273.767 3.622 30 20 CHED CCC[C@@H](CC)C(=O)[C@H](C#N)c1cnc2ccccc2n1 873523391 JYEZQIZMRVLXML-CHWSQXEVSA-N 281.359 3.632 30 20 CHED C=C(CC)COC(=O)[C@@H](C)Cc1ccccc1F 773513548 FYEBOXVHSCOZGQ-LBPRGKRZSA-N 250.313 3.514 30 20 CHED CCC(CC)(C(=O)OCC1(C#N)CC1)c1ccccc1 775862303 DBUKHWBHOPLWIJ-UHFFFAOYSA-N 271.360 3.591 30 20 CHED C[C@H](COc1ccccc1)N[C@H](C)c1ccc(C#N)cc1 776160580 OWOMHORPFMBECW-HUUCEWRRSA-N 280.371 3.676 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@H](C)C(=O)c1ccccc1 1120734342 XPNHHYQZGKRFBY-RDJZCZTQSA-N 299.414 3.853 30 20 CHED N#Cc1c(NC(=O)C2(F)CCCC2)sc2c1CCCC2 776299742 POCBCDOFCKEUKJ-UHFFFAOYSA-N 292.379 3.719 30 20 CHED CC(C)(C#N)CCCN[C@H](Cn1ccnc1)c1ccccc1 880571060 NBIWSJSBWYOBLL-QGZVFWFLSA-N 296.418 3.544 30 20 CHED COc1ccc(C#N)cc1Cn1nc(Cl)c2ccccc21 775682182 GUHAEVQTMPPACS-UHFFFAOYSA-N 297.745 3.618 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)c(OC)c1)C2 773140147 OQNBTYZSARHCBZ-NVNXTCNLSA-N 294.350 3.835 30 20 CHED C=C(C)Cn1c(N2CCCC[C@@H]2CC)nnc1C(C)(F)F 1122430711 WDIGBLQYXPXFMC-LBPRGKRZSA-N 298.381 3.735 30 20 CHED CC(C)c1ccc2c(c1)C(=NOC[C@H]1CCOC1)CCC2 788034589 SUGHADHKIRTNBZ-AWEZNQCLSA-N 287.403 3.904 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C 1123656405 DPFXMZXTHBSYMF-UHFFFAOYSA-N 298.390 3.629 30 20 CHED C=CCC1(O)CCN(Cc2cc(C)cc(Cl)c2)CC1 895833614 ANUTYVSCCQQMSK-UHFFFAOYSA-N 279.811 3.551 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CCCCS1 783060408 MVNRJEDCXUWPCE-ZDUSSCGKSA-N 257.443 3.749 30 20 CHED N#CC1(COC(=O)c2cccc3cnccc23)CCCCC1 780487482 VFBUUUVQGCBPGH-UHFFFAOYSA-N 294.354 3.866 30 20 CHED Cc1ccc(C(=O)N2CCc3cc(C#N)ccc32)cc1Cl 1129759780 SFIZMMAJIODNAZ-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@H](C)S1 70387416 AUOQOXPWCUECBV-UWVGGRQHSA-N 266.797 3.542 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccc(C#N)cn2)CCCC1(C)C 889234854 XBNKCDJAZOTGBE-CQSZACIVSA-N 298.390 3.552 30 20 CHED CC[C@H](C)[C@@H](C(=O)O[C@@H](C#N)CC)c1ccccc1 781126093 LUNDLJFYBTXPBV-NWANDNLSSA-N 259.349 3.662 30 20 CHED N#Cc1cccc(CSc2cc(Cl)ccn2)c1 91364356 BOLCSYFVTDAUPA-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(Cl)cc1O 781987873 PSWMWIIMHZETBX-UHFFFAOYSA-N 281.739 3.532 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cn(CC)nc2C)c1 899351063 YKDLBFKSNGFWHF-KTKRTIGZSA-N 284.359 3.506 30 20 CHED CC(C)c1ccc([S@@](=O)CCC(C)(C)C#N)cc1 87611209 XLEHVALLBCPZOI-GOSISDBHSA-N 263.406 3.857 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 791201280 XPVCJYLITWYHMO-NEPJUHHUSA-N 297.320 3.727 30 20 CHED C#CCN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 790964078 NZOAQMPBJNPDPS-UHFFFAOYSA-N 299.757 3.838 30 20 CHED CCSc1ccccc1C(C)=NOCCSC 794575079 WGQFGUJFCJAIRZ-UHFFFAOYSA-N 269.435 3.902 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1cc(Cl)ccc1Cl 794690648 KFJMOJHKCUCCKN-WAYWQWQTSA-N 295.169 3.931 30 20 CHED Cc1cccnc1C=NNCc1cccc(Cl)c1Cl 790182958 HVJGTQJWLXEOPM-UHFFFAOYSA-N 294.185 3.821 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(F)ccc(O)c2F)cc1 794926049 HUDFPRMVGCSBGJ-VURMDHGXSA-N 274.266 3.875 30 20 CHED CC[C@H](CC#N)OC(=O)c1ncccc1Oc1ccccc1 799627951 QHXNEOCDQJDBPL-CYBMUJFWSA-N 296.326 3.723 30 20 CHED C=C[C@@H](OC(=O)c1cc2ccccc2nc1O)C(C)(C)C 798905115 OPWMCTLQCYQEMR-CQSZACIVSA-N 285.343 3.698 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 664334129 VPPSVIZVUWSBAO-AWEZNQCLSA-N 258.365 3.815 30 20 CHED FC(F)(F)CCON=C1CCC[C@H]1c1ccccn1 794933130 OFMHNLQELXSUGI-JTQLQIEISA-N 272.270 3.674 30 20 CHED CCC[C@H](C(=O)N(CCC#N)C(C)(C)CC)C(C)C 189932860 SUAPGZGLCFSRKN-AWEZNQCLSA-N 266.429 3.990 30 20 CHED Cc1cccnc1NN=Cc1cccc(C)c1OC(F)F 790186523 QBWCRMDCUJGHPT-UHFFFAOYSA-N 291.301 3.746 30 20 CHED C(=NNCc1ccccc1)c1ccc(OCC2CC2)cc1 790149927 HKTJUKJQFHILND-UHFFFAOYSA-N 280.371 3.599 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Oc1ccc(Cl)cc1 799459579 IXHUUZWYARMUJT-YHYXMXQVSA-N 283.714 3.830 30 20 CHED CC1(CNN=C[C@@H]2CCOc3ccccc32)CCCC1 793084466 OVVPBEBGYPIYNZ-AWEZNQCLSA-N 272.392 3.708 30 20 CHED CCC[C@@H](C(=O)OCc1cccc(C#N)c1)c1ccccn1 799535862 HGGXPAOCQXCFIE-MRXNPFEDSA-N 294.354 3.580 30 20 CHED Oc1cccc(/C=N/[C@H]2CCCc3ccc(F)cc32)c1O 794832533 JCRVDJBREDPPPD-RPJLVFAOSA-N 285.318 3.733 30 20 CHED CCC[C@H](C(=O)OCc1cccc(C#N)c1)c1ccccn1 799535861 HGGXPAOCQXCFIE-INIZCTEOSA-N 294.354 3.580 30 20 CHED C[C@H](NC(=O)c1cccc(F)c1C#N)[C@@H]1CCC[C@@H](C)C1 1142302052 QTJUHGOXANPWON-FRRDWIJNSA-N 288.366 3.642 30 20 CHED N#Cc1csc(CN[C@H]2CCSc3ccccc32)c1 93492145 IKYHQYJWWOFBQR-AWEZNQCLSA-N 286.425 3.946 30 20 CHED N#Cc1csc(CN[C@H]2CCCc3ccccc32)c1 93492041 JPVNIISHVPGEQB-INIZCTEOSA-N 268.385 3.787 30 20 CHED C[C@H](c1nccc2ccccc12)N(C)CC(C)(C)C#N 1308781757 GOMVRRHGJNQIAN-CYBMUJFWSA-N 267.376 3.777 30 20 CHED CCC[C@H](C(=O)Nc1ccc(OCC#N)cc1)C(C)C 1319698576 PXTGNTPWAPTJLA-HNNXBMFYSA-N 274.364 3.600 30 20 CHED CCc1cccc(N(C)C(=O)Nc2ccc(C#N)c(F)c2)c1 1310842009 ILXJMUOWLLQAQH-UHFFFAOYSA-N 297.333 3.928 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1320430370 DBDZSHUGISWFIO-VIFPVBQESA-N 255.720 3.623 30 20 CHED Cc1cc(CNCC2(CC(C)C)CC2)ccc1C#N 1620856855 PSBJBDZHDROJFT-UHFFFAOYSA-N 256.393 3.783 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1nccs1 1322752700 RTWNFWPDXIIDKS-UHFFFAOYSA-N 265.769 3.941 30 20 CHED C=C(C)CCC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1 1336431354 IOOCTZJUPFDPQC-ZDUSSCGKSA-N 288.391 3.510 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCc2sccc2C)n1 1331318272 RBDXYSZHRVADJP-UHFFFAOYSA-N 299.399 3.593 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1nc(CC)cs1 1185734761 FDGNMVVGJRGMSA-UHFFFAOYSA-N 285.416 3.994 30 20 CHED C=C(C)CCC(=O)Nc1ccc(NC(=O)OCC)cc1 1335729104 YBLNFCHSRMHLDV-UHFFFAOYSA-N 276.336 3.550 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1C(F)F)C(C)(C)C 1330734609 XAXXVZJCALOTOW-LBPRGKRZSA-N 280.318 3.794 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnn(CCCC)c1C 1347520921 CSSMCTNTWJLNIV-HNNXBMFYSA-N 289.423 3.562 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C[C@H](C)C1CCCCC1 1346097111 XZIDUELBZCTFKC-ZFWWWQNUSA-N 287.407 3.686 30 20 CHED C#CCCCCCC=NNc1ccc(C(C)(C)C)nn1 1344439993 ZAHHQADAGZRGBY-UHFFFAOYSA-N 272.396 3.756 30 20 CHED CC(C)CCCCc1nnc(COc2ccc(C#N)cc2)o1 1346639260 QHIUPYAXUFBCFM-UHFFFAOYSA-N 299.374 3.889 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cc(C2(C)CCCC2)on1 1289942171 IXPYBIDCFLSMLK-UHFFFAOYSA-N 299.330 3.532 30 20 CHED CCC1CCC(CNC(=O)c2ccccc2CC#N)CC1 1441974328 BKVRIMNLBKOBPV-UHFFFAOYSA-N 284.403 3.699 30 20 CHED N#CC[C@@H](OC(=O)C1=CCCCCC1)c1ccco1 1518000236 CXBDOWXZWRBZDP-CQSZACIVSA-N 259.305 3.668 30 20 CHED Cc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c(C)c1 306615456 PGUQYVHOAJOVBK-MDZDMXLPSA-N 258.170 3.948 30 20 CHED CCc1ccc(C(C)(C)CNc2ccc(C#N)cn2)cc1 1458221898 QEEBUYHUIZFUMD-UHFFFAOYSA-N 279.387 3.905 30 20 CHED N#CCOc1ccc(COc2cc(F)cc(Cl)c2)cc1 1459197665 LUAKGVZJLJPLEO-UHFFFAOYSA-N 291.709 3.960 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](F)c1ccccc1 1526210650 YLWLHYFSEQYIOV-SUMWQHHRSA-N 296.345 3.788 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)/C(C)=C/C1CCC(C)CC1 1526587193 LVWBFMCXSIBMLV-RFEFOVDRSA-N 299.418 3.852 30 20 CHED CCCCN(C(=O)c1ccc(F)c(C#N)c1)c1ccncc1 1462168270 HFCLRDPIBRQBFX-UHFFFAOYSA-N 297.333 3.539 30 20 CHED Cc1ccc(SCc2ccsc2C(=O)O)c(C#N)c1 1607824394 UESQHWPAYGHZGG-UHFFFAOYSA-N 289.381 3.919 30 20 CHED Cc1cc(CSc2ccc(C(=O)O)cc2)ccc1C#N 1600216235 WPGHGMLJLMONHZ-UHFFFAOYSA-N 283.352 3.857 30 20 CHED O=C(O)c1coc(/C=C/C(=O)c2coc3ccccc23)c1 1602553572 JAGJYAYLGCSNQX-AATRIKPKSA-N 282.251 3.620 30 20 CHED CC1(C)CCC[C@H](OC(=O)Cc2ccccc2CC#N)C1 1460729678 QITPIGJHMSCDEQ-INIZCTEOSA-N 285.387 3.807 30 20 CHED CC[C@H](Nc1ccc(C#N)cn1)c1ccc(C)c(F)c1 1612203257 SSCFSGSZAIRULE-HNNXBMFYSA-N 269.323 3.964 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1543992248 OQMYWUAGNPYDDB-CJNGLKHVSA-N 290.794 3.857 30 20 CHED C[C@H]1CN(C(=O)c2cccc(F)c2C#N)[C@H]1c1ccccc1 1620454469 XMUYQASMYLVCKJ-YVEFUNNKSA-N 294.329 3.531 30 20 CHED N#CC1(CCN2CCc3cc(O)ccc3C2)CCCCC1 1620684124 BHMIYZACXKJRSL-UHFFFAOYSA-N 284.403 3.614 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)NCC1(C#N)CC1 1564666653 WGQIQSLESQGOMK-OAHLLOKOSA-N 293.455 3.928 30 20 CHED COc1ccc(C#N)cc1CSc1cccc(F)c1C#N 1656593191 VFHQLFVSXIBXRL-UHFFFAOYSA-N 298.342 3.870 30 20 CHED Cc1cc(Oc2ccc(F)cc2Cl)ncc1C#N 1654888361 XZCMOINPLMYXNM-UHFFFAOYSA-N 262.671 3.847 30 20 CHED Cc1cccc(-c2ccc(CN=c3cc[nH]c(C#N)c3)cc2)c1 1655164295 OLMDWQIMDFNMFR-UHFFFAOYSA-N 299.377 3.963 30 20 CHED N#Cc1cncc(NC(c2cccs2)c2cccs2)n1 1651557459 PFSUKYPCKWJVFO-UHFFFAOYSA-N 298.396 3.673 30 20 CHED O=C(O)c1ccccc1NN=C[C@H]1CCc2ccccc2C1 1776031034 JAQJDNINGVWYLA-ZDUSSCGKSA-N 294.354 3.588 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1cc(C)cs1 1776037829 DYKMUOAWALEUDV-UHFFFAOYSA-N 274.345 3.591 30 20 CHED C=CCCC[C@@H](NCc1ccc(C)c(C2CC2)c1)C(=O)O 1776171137 UNUMDZODDZXIIF-QGZVFWFLSA-N 287.403 3.772 30 20 CHED N#Cc1c(N[C@H]2CCCc3sccc32)nc2ccccn12 161060221 JIJNXENGALTKIR-LBPRGKRZSA-N 294.383 3.757 30 20 CHED N#Cc1ccc(OCc2nc(C(F)(F)F)cs2)cc1 161794349 HYYSEDGGKIKSRB-UHFFFAOYSA-N 284.262 3.613 30 20 CHED C=CCN(C)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 161784064 KYCOCNIYMFTEEW-CQSZACIVSA-N 259.393 3.948 30 20 CHED C=CCN(C)C(=O)c1ccc(Cl)cc1SCC 161806052 NHIHKWUYIDKFHG-UHFFFAOYSA-N 269.797 3.710 30 20 CHED CCC(O)(CC)CNc1cc(C#N)ccc1C(F)(F)F 161896699 UFDJEYIDAIGZEZ-UHFFFAOYSA-N 286.297 3.540 30 20 CHED N#Cc1c(Br)cccc1NCc1ccsc1 164994341 ZXXOMAXXHWIBAC-UHFFFAOYSA-N 293.189 3.994 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(C)c2)n1 151527166 KQDZCAUPLFXDQR-NSHDSACASA-N 290.775 3.903 30 20 CHED Cc1cc(Cl)c(NC(=O)N(C)CCC#N)cc1Cl 154069472 KJJXGUWJSZLJBN-UHFFFAOYSA-N 286.162 3.679 30 20 CHED CC(C)(C#N)CCNc1ccc(F)c(Br)c1 159895687 KJJPFBJGDMTATC-UHFFFAOYSA-N 285.160 3.940 30 20 CHED Cc1ccc(N(C)Cc2ccc(F)c(C#N)c2)c(C)c1 234322208 GDAPXFGHRZZWAK-UHFFFAOYSA-N 268.335 3.951 30 20 CHED C#C[C@@H](N[C@@H](C)C1CCC(F)(F)CC1)C(C)(C)C 809782910 KRTOSVPMUWFJJS-WCQYABFASA-N 257.368 3.838 30 20 CHED N#Cc1ccc(NCCOC2CCSCC2)cc1Cl 897515068 IGVLAKRMBFYJPU-UHFFFAOYSA-N 296.823 3.536 30 20 CHED CCOc1ccccc1NCc1ccc(C#N)cc1F 20041350 GCEUNQRTYHTYDD-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(OCC#N)cc2)[C@@H]1C 34991691 NIDKCBGMGFJFFU-CKEIUWERSA-N 272.392 3.503 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2ccco2)cc1 35136990 UAUNPSMGFVLNCQ-CYBMUJFWSA-N 257.333 3.695 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(SC)cc1 285868665 HWFQABMGDQNRJA-ABAIWWIYSA-N 276.405 3.526 30 20 CHED C=C(CNCc1csc(C2CC2)n1)c1ccccc1 343806368 JFAAVQCSAWSEHB-UHFFFAOYSA-N 270.401 3.824 30 20 CHED C[C@@H](CNc1cccc(F)c1C#N)Oc1ccccc1 301287943 PABFUPZDZFPBOK-LBPRGKRZSA-N 270.307 3.577 30 20 CHED N#Cc1cccc(NC(=O)c2csc(Cl)c2)c1 188949129 BMQJMAIHCAIZMF-UHFFFAOYSA-N 262.721 3.525 30 20 CHED CCCCN(Cc1cccc(C#N)c1)CC(F)(F)F 69072405 SUKQTVIZPHDRHS-UHFFFAOYSA-N 270.298 3.723 30 20 CHED Cc1cc(N[C@@H](C)Cc2ccc(C)s2)cc(C#N)n1 308282152 XMMMRLUOEVGHJH-NSHDSACASA-N 271.389 3.675 30 20 CHED CC(C)N(CCC#N)CCc1ccc(Cl)cc1 308667033 SXRVELJNWRWMJR-UHFFFAOYSA-N 250.773 3.507 30 20 CHED CC[C@@H]1CCCCN1c1nc(C)c(C#N)cc1Cl 310785112 SOCCPFCJVQGHCB-GFCCVEGCSA-N 263.772 3.684 30 20 CHED N#CCc1cccc(Nc2cc(Cl)nc(C3CC3)n2)c1 313421124 BJJFEDHICDPLKA-UHFFFAOYSA-N 284.750 3.817 30 20 CHED C[C@@H]1CC(C/N=C(/O)c2cc(Cl)ccc2O)C[C@@H](C)O1 331227850 DYOLOJRDOZBRFL-NXEZZACHSA-N 297.782 3.554 30 20 CHED C[C@@H]1CC[C@@H](N(C)c2nc(C(F)(F)F)ccc2C#N)C1 428672590 MEOYRKGRWGFMRN-MWLCHTKSSA-N 283.297 3.597 30 20 CHED C=CCN(CCC(=O)c1ccccc1)Cc1ccccc1 538622134 WLYYBXDGFLGBMP-UHFFFAOYSA-N 279.383 3.948 30 20 CHED C[C@@H](CNCc1ccc(C#N)cc1)C1CCCCC1 389034657 KZOJUBYXQSWLRE-AWEZNQCLSA-N 256.393 3.864 30 20 CHED Cc1ccc(C#N)cc1OC[C@H]1CCCC1(F)F 381596720 FOFXCVUMRGHOLW-GFCCVEGCSA-N 251.276 3.681 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(C#N)cc1 695813618 VFYAPXNWXSYETG-OLZOCXBDSA-N 255.365 3.537 30 20 CHED C#C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 810100109 XGFGUKJDWFMCBE-GFCCVEGCSA-N 265.740 3.539 30 20 CHED C=CCC(C)(C)CNCc1ccc(N2CCCC2)cc1 394254642 DRKROBGIFUHBGB-UHFFFAOYSA-N 272.436 3.979 30 20 CHED Cc1ccc(Cl)cc1NCC(=O)Nc1ccc(C#N)cc1 7975679 MJRFVIOTLCYVAP-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc3c(s2)CCC3)c1 103029145 GXFVQNUISHXLEO-UHFFFAOYSA-N 295.407 3.885 30 20 CHED C#Cc1cccc(N(C(=O)c2scnc2CC)C(C)C)c1 119497022 JOBCLOYYZNENPV-UHFFFAOYSA-N 298.411 3.742 30 20 CHED Cc1nc(N(C)CC2CCCC2)c(Cl)cc1C#N 310799711 WXFFZISEPQHAKK-UHFFFAOYSA-N 263.772 3.542 30 20 CHED C=C(C)CN[C@H](CC)c1ccccc1OC(F)F 119518425 KCTSGAALYOQJLO-GFCCVEGCSA-N 255.308 3.905 30 20 CHED Cc1noc(C)c1/C=C1\Cc2cc(Cl)ccc2C1=O 172819647 CSGSIFRXOPJUQR-YRNVUSSQSA-N 273.719 3.767 30 20 CHED C[C@H](NCCSCc1ccccc1C#N)C1(C)CC1 177822964 KGKMDZPQOVJTOG-ZDUSSCGKSA-N 274.433 3.570 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2ccc(F)cc2C#N)C1 343731037 YRTDQWGWTHVWNG-MLGOLLRUSA-N 260.356 3.708 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(CSC)c1 117007360 NXEKZUDUSUTLJP-NSHDSACASA-N 264.394 3.636 30 20 CHED CCCCCCCCC(=O)Nc1cnn(CC(F)F)c1 116839632 FSHLEZIREKXZRL-UHFFFAOYSA-N 287.354 3.837 30 20 CHED C#CCCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 172927969 HCVYHUPIBAKYIZ-UHFFFAOYSA-N 295.169 3.618 30 20 CHED C#Cc1cccc(NC(=O)c2cc3ccccc3cc2O)c1 25959973 NDPVUSWVBOGGBL-UHFFFAOYSA-N 287.318 3.779 30 20 CHED CC[C@H](CC#N)Nc1cc(C(C)C)nc(C(C)C)n1 302128663 AIXUJSDAPAMYGZ-GFCCVEGCSA-N 260.385 3.828 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCc2cc3ccccc3[nH]2)c1 302189646 ATOGZSDVOPSDNN-UHFFFAOYSA-N 292.298 3.560 30 20 CHED C=CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66851043 DHHWKSOWTASZFJ-CYBMUJFWSA-N 272.175 3.553 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1ccc(Cl)nc1 179413745 WFZALUAFABDEJU-GORDUTHDSA-N 279.673 3.909 30 20 CHED C[C@H](CC#N)N(C)Cc1cccc(OCc2ccccc2)c1 177366239 VDIJISOCSQCGRE-MRXNPFEDSA-N 294.398 4.000 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cccnc1)CO2 63412875 GSHHMBFMMYDWTJ-NVNXTCNLSA-N 279.339 3.864 30 20 CHED CCOc1ccccc1C[S@](=O)CCCC(C)(C)C#N 177925013 OUJYTMGRGLEGSX-HXUWFJFHSA-N 293.432 3.664 30 20 CHED CC(C)N(Cc1ccc(F)c(C#N)c1)C1CCCC1 119816409 SMTCUVMFNAUGPO-UHFFFAOYSA-N 260.356 3.850 30 20 CHED C=CCN(C)C(=O)c1sc2ccccc2c1Cl 22326913 ZDXRUTQWYHWCHU-UHFFFAOYSA-N 265.765 3.813 30 20 CHED O=C1/C(=C/c2cccc(F)c2)Cc2cc(F)ccc21 114992247 DAPJBUUHVFNWLV-WUXMJOGZSA-N 256.251 3.787 30 20 CHED CC#CCCCc1nnc(-c2ccc(Cl)cc2OC)o1 1349976020 GCLJMHNFIDSCKI-UHFFFAOYSA-N 290.750 3.745 30 20 CHED C=C(C)COCCNc1cc2ccccc2c(Cl)n1 301649414 FRIFZRFZORVYDZ-UHFFFAOYSA-N 276.767 3.893 30 20 CHED Cc1cc2[nH]ncc2cc1Nc1cccc(F)c1C#N 302705450 JCJFLODWWWZFPT-UHFFFAOYSA-N 266.279 3.626 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(C)(C)C)nn2)[C@H](C)C1 1342193824 BBAFUPKLGQVKDP-NWDGAFQWSA-N 274.412 3.998 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]2Cc2ccccc2)cn1 301495074 BDMODSYOSMMUHR-CRAIPNDOSA-N 277.371 3.777 30 20 CHED Cc1nc(Sc2nc(C)c(C)o2)c(Cl)cc1C#N 311133700 RMXVTSDAPZKYHP-UHFFFAOYSA-N 279.752 3.671 30 20 CHED C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc23)C[C@@H]1C 301440714 MDNFAOYTAXKAMR-PHIMTYICSA-N 285.778 3.852 30 20 CHED CCO[C@H]1C[C@H](NCC(C)(C)CCC#N)C12CCCC2 174654524 VULMWXPCTZTVGD-GJZGRUSLSA-N 278.440 3.644 30 20 CHED CC[C@@H](C)[C@H](O)CNc1c(C#N)cnc2c(C)cc(C)cc12 301384553 BTEVMSRYTYHNCJ-MLGOLLRUSA-N 297.402 3.542 30 20 CHED N#Cc1cccc(C#N)c1N1CCc2c(Cl)cccc21 302894802 QNQVYXQBPWFUOO-UHFFFAOYSA-N 279.730 3.778 30 20 CHED CC(=O)Nc1ccc(C)cc1NCc1ccc(F)c(C#N)c1 124355808 VGVHRCKCYRZESS-UHFFFAOYSA-N 297.333 3.576 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1ccsc1 302889244 BVYVTBBMASVFNT-UHFFFAOYSA-N 274.341 3.704 30 20 CHED C#CCCCCC(=O)Oc1ccc(Cl)c(F)c1 121592301 QFNYJBIDFCTLEH-UHFFFAOYSA-N 254.688 3.578 30 20 CHED N#Cc1nc(NCc2ccc(Cl)cc2)ccc1Cl 301146458 LYLKWJLDWGPIFM-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(Br)ccn1 123708741 RLQHDAMKPCDOOM-UHFFFAOYSA-N 295.180 3.551 30 20 CHED CC(C)(CCC#N)CNCC1(c2ccccc2)CC1 123179481 FMEMSUDYTMMFFN-UHFFFAOYSA-N 256.393 3.638 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@H](Cc3ccccc3)C2)nc1 302485677 IBBAZKCYTQTYDI-WBVHZDCISA-N 277.371 3.777 30 20 CHED CC1(C)CCc2ccccc2[C@@H](NC(=O)C2(C#N)CCC2)C1 407974883 OTDVJLQLUHODJI-INIZCTEOSA-N 296.414 3.900 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(F)c(Cl)c1 218642353 MZJVCFYUZWGILI-NSHDSACASA-N 299.773 3.671 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 181235070 ZGZUQLPAYUPLKA-DAXOMENPSA-N 283.375 3.601 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C2[C@H]3CCC[C@H]23)CC1 183906555 IHZQYIWLDWKWIJ-HPGRBHQUSA-N 288.435 3.647 30 20 CHED C=CCN(C(=O)c1ccc(CC)nc1C)c1ccccc1 185527975 STPVWRJLXSJUNL-UHFFFAOYSA-N 280.371 3.785 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCC1)c1cc(F)cc(F)c1 120150882 DLVLGHGJHGEWIJ-JTQLQIEISA-N 279.286 3.653 30 20 CHED C#CCC(C)(C)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 184896373 ZIWXTJSOYZBKGO-UHFFFAOYSA-N 297.320 3.713 30 20 CHED C[C@@H](SCCC#N)C(=O)N[C@H](C)c1ccc(Cl)cc1 413013952 PKQYYTGALKWSOW-GHMZBOCLSA-N 296.823 3.553 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1ccc(F)cc1 217032197 VOAKMSCPIHOJGV-LREOWRDNSA-N 261.683 3.770 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1SC1CCCC1 357824743 JQGUXXQWUIATSE-NSHDSACASA-N 274.389 3.819 30 20 CHED C[C@H]1/C(=C/c2ccsc2)C(=O)c2c(O)ccc(F)c21 213220494 UDSNDMCCOYHLJM-KZSPTFSBSA-N 274.316 3.976 30 20 CHED C=CCOc1cccc(CNc2nnc(C(C)(C)C)o2)c1 185885112 AHBAODIUAIEKPX-UHFFFAOYSA-N 287.363 3.544 30 20 CHED CC[C@H](CNC(=O)Nc1ccc(C#N)cc1)CC(F)(F)F 413905950 JSMQIVQVXAKFIR-JTQLQIEISA-N 299.296 3.658 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 189058330 ZSVNSLGPVJRWMO-GOSISDBHSA-N 297.402 3.992 30 20 CHED CC(C)CSCCCN[C@@H](C)c1cccc(C#N)c1 181994175 VSURLNSZINXSET-AWEZNQCLSA-N 276.449 3.988 30 20 CHED CS[C@H]1CCC[C@@H](Nc2c(C#N)nnc3ccccc23)C1 77225476 CVAFAHYGTNUSNC-NEPJUHHUSA-N 298.415 3.588 30 20 CHED N#Cc1ccc([C@@H](O)CN(CC2CC2)c2ccccc2)cc1 129575668 CBJVGXFSUZNRMP-IBGZPJMESA-N 292.382 3.508 30 20 CHED C=CCCCS[C@H](C)C(=O)NCc1ccccc1F 419414180 SXPLCMHKPVTECT-GFCCVEGCSA-N 281.396 3.530 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)c1cc2ccccc2o1 180424247 SMNBVSRVUXQLBD-LBPRGKRZSA-N 257.333 3.571 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(F)c(C#N)c1 183373638 FVGXJJXTNYFUQO-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED N#CCc1cccc(NCc2cnc3ccccc3c2)c1 313485067 WSWABMCVUPUDJH-UHFFFAOYSA-N 273.339 3.913 30 20 CHED N#Cc1c(F)cccc1OCc1ncc(-c2ccccc2)o1 131982025 IMVISBGAOVBUBG-UHFFFAOYSA-N 294.285 3.931 30 20 CHED C=CCC[C@@H](C(=O)N(CC)C[C@H](C)C#N)c1ccccc1 188389441 PKQACYSURCOHLP-NVXWUHKLSA-N 284.403 3.745 30 20 CHED Cc1ccc(NCc2nnc(-c3ccc(C#N)cc3)o2)cc1 133008399 NBBVRTHCMVJVQU-UHFFFAOYSA-N 290.326 3.529 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1c(F)cccc1F 131493341 CXBKZTWNUCRDCU-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 185172985 OQKCVWMEASGLIT-AWEZNQCLSA-N 287.403 3.701 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1nc(C(C)(C)C)cs1 509026507 LLEGEQSKOXLFCG-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C[C@@H](C#N)CN[C@@H](CCc1ccccc1)Cc1ccccc1 133037064 KJEJPNDMEWWGBQ-PXNSSMCTSA-N 292.426 3.980 30 20 CHED COc1nc(C)cc(C)c1CSCC1(C#N)CCC1 419481653 WSHRIRZSIQQBTK-UHFFFAOYSA-N 276.405 3.634 30 20 CHED C[C@H]1CCC[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1 229748453 RQRDMSFMTNKBID-WFASDCNBSA-N 260.356 3.708 30 20 CHED N#CC1(CSCc2ccn(C3CCCC3)n2)CCC1 419444906 UJOLLJBNLQPROK-UHFFFAOYSA-N 275.421 3.925 30 20 CHED Cc1sc2nc([C@@H](C)SCCC#N)nc(N)c2c1C 413009876 DTQLNEMJLMGZEA-SECBINFHSA-N 292.433 3.598 30 20 CHED Cc1cc(NCCCCC#N)c2ccc(F)c(F)c2n1 192237650 URNXXOYQMZQVSS-UHFFFAOYSA-N 275.302 3.927 30 20 CHED CCc1nc2c(s1)[C@H](NCC(C)(C)CC#N)CCC2 414165745 MRCDGBUQRSQEAF-LLVKDONJSA-N 277.437 3.612 30 20 CHED CSc1cc(O)ccc1NC(=O)Nc1ccc(C#N)cc1 192166587 WAIOVPKYUFQPOR-UHFFFAOYSA-N 299.355 3.630 30 20 CHED CC(C)(C)c1nnc(SCC#Cc2ccc(F)cc2)o1 135293310 IMOOXAPETNJQGE-UHFFFAOYSA-N 290.363 3.650 30 20 CHED CCOc1ccc(C#N)cc1NCc1csc(CC)n1 86203514 YRWYKRRVBMYLGZ-UHFFFAOYSA-N 287.388 3.588 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 89521049 FZOIGVPVBHVFMK-NVXWUHKLSA-N 282.387 3.547 30 20 CHED C[C@@]1(C/N=C(/O)Nc2scnc2C2CC2)CCCS1 328905986 BEPKHHJGWYWMEP-ZDUSSCGKSA-N 297.449 3.632 30 20 CHED CCCCCCC[C@H](C)NC[C@@H](O)c1ccco1 136324562 SJVPPLKOFMMUHK-UONOGXRCSA-N 253.386 3.652 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccnc(C)n1 194666399 XDDJEWQLCQKJBW-UHFFFAOYSA-N 277.412 3.608 30 20 CHED C[C@H](C1CC1)N(C)c1ccc(C#N)c(Br)c1 228178697 KYGSRRBNOPQSCC-SECBINFHSA-N 279.181 3.555 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1cccc(Cl)c1Cl 284920888 IONHCGLPHBWKEN-CQSZACIVSA-N 299.201 3.892 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](CC)Cc1ccccc1C 424681973 WDYKMEUTYVNCKY-GJZGRUSLSA-N 259.393 3.645 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C1CC2(CCC2)C1 516571587 BUXCDMUNWRIZNR-UHFFFAOYSA-N 283.375 3.509 30 20 CHED Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C)c(C#N)cc1N(C)C 425610720 MQWOKIFFWFEHOY-DOMZBBRYSA-N 299.418 3.698 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(C#N)ccc1C 195231982 SJQKDBHAJHLUBT-UHFFFAOYSA-N 292.338 3.684 30 20 CHED Cc1ncc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cn1 329049508 GTJUKVJAIPBOTA-BPLDGKMQSA-N 273.380 3.980 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccc(CC#N)cc1 81603913 LEGDUDAFRMUULB-CHWSQXEVSA-N 285.391 3.699 30 20 CHED COc1cccc([C@H](C)NCc2cccc(C#N)c2F)c1 221955809 NLAWAZVJAMHCGJ-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=CCNC(=O)c1ccc(NCc2cccc(C)c2C)cc1 194303047 HMAOIRGFMYTSBB-UHFFFAOYSA-N 294.398 3.831 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@]12CCC[C@H]1C2 421438544 QYDDJWABZOPTDH-HKUYNNGSSA-N 296.414 3.733 30 20 CHED CC(C)c1ccc([C@H](NC(=O)[C@H](C)C#N)C(C)C)cc1 510338199 DGBOCCZOKNTKSB-CZUORRHYSA-N 272.392 3.783 30 20 CHED COCc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 425365565 LTFQQYYRSCYQMF-OAHLLOKOSA-N 294.398 3.898 30 20 CHED CC(C)CC1(C(=O)N2CCc3c(C#N)cccc32)CCC1 421654747 DDUFHBZQUBNCOB-UHFFFAOYSA-N 282.387 3.664 30 20 CHED COc1cccc([C@@H](C)C(=O)Nc2ccc(CC#N)cc2)c1 194402469 KHASSONLVAKXRR-CYBMUJFWSA-N 294.354 3.503 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 513129120 JAEUKHBXQXOLJE-HNNXBMFYSA-N 293.455 3.784 30 20 CHED Cc1cccc(Oc2ccc(NC(=O)[C@H](C)C#N)cc2)c1 510381594 YYQUJKSTCYXNQP-CYBMUJFWSA-N 280.327 3.886 30 20 CHED C=C(CNC(=O)N1CC[C@](C)(CC)C1)c1ccccc1 512684108 DAPXDYOTOOWRMK-KRWDZBQOSA-N 272.392 3.531 30 20 CHED C=CCCS[C@@H](C)c1cn(-c2ccccc2)nn1 339092005 RMGIQUFHEPUJOB-LBPRGKRZSA-N 259.378 3.638 30 20 CHED Cc1cc(Br)cc(N[C@@H]2CC[C@H](C#N)C2)c1 381604481 PLUNKSJOWAXVRG-CMPLNLGQSA-N 279.181 3.862 30 20 CHED CCOCc1cccc(N=C(O)N[C@@H]2CC[C@@H](C)C2)c1 331290499 JUSKTFMKFIASRQ-IUODEOHRSA-N 276.380 3.547 30 20 CHED CC(=O)c1cccc(NCc2cccc(F)c2C#N)c1 427510764 BVNYTBHHUMSFHX-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1c(C#N)cccc1C(=O)N(CC(C)C)CC(F)(F)F 337916229 QKSXBDNGLWDUEY-UHFFFAOYSA-N 298.308 3.527 30 20 CHED Cc1csc(C(=O)N(CC#N)c2ccccc2)c1Cl 335310030 FQDJRAYXHHJNGU-UHFFFAOYSA-N 290.775 3.880 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 233899531 ORBNKFODGXCUFK-QGZVFWFLSA-N 280.371 3.808 30 20 CHED C=C(Cl)CNCCCc1c(F)cccc1Cl 381854574 ULCWRRQURVQBIF-UHFFFAOYSA-N 262.155 3.754 30 20 CHED C[C@H](c1cc(F)ccc1F)N1CCC(CC#N)CC1 334329217 NNTOVSFPHZYTJP-LLVKDONJSA-N 264.319 3.651 30 20 CHED C[C@H]1CCC[C@@H](C)N(c2snc(Cl)c2C#N)C1 92657263 DFEARIOSTVAJMU-DTWKUNHWSA-N 269.801 3.683 30 20 CHED CC(C)(C)OCCSCc1cccc(F)c1C#N 427819702 RHZXBFLETRQZHS-UHFFFAOYSA-N 267.369 3.746 30 20 CHED CCC[C@@H](C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425129623 MGHMTNBMBCPQCU-OLZOCXBDSA-N 258.365 3.514 30 20 CHED C=CCCC(=O)O[C@H](c1ccccc1)c1nccs1 91764118 REXCUDYDAFWQGH-CQSZACIVSA-N 273.357 3.742 30 20 CHED Cc1ccc([C@@H]2CCCN2[C@@H]2CC[C@H](C#N)C2)s1 338999960 LNNRAGJZMUOSMC-MJBXVCDLSA-N 260.406 3.886 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(CC(C)C)cc1)C1CC1 513899224 YOJIDVOZZCKOLX-QGZVFWFLSA-N 286.419 3.821 30 20 CHED N=C(O)N1CCCc2ccc(N=C(O)[C@@H]3C[C@@H]3C3CC3)cc21 330312197 OCOGWNHLPGXXAR-ZIAGYGMSSA-N 299.374 3.566 30 20 CHED CN(Cc1csc(Cc2ccccc2)n1)CC(C)(C)C#N 433307318 UMSPFDXBANGZOF-UHFFFAOYSA-N 299.443 3.715 30 20 CHED CCC[C@H](C(=O)N[C@]1(C#N)CCC[C@H](C)C1)c1ccccn1 339281131 IKSXJQIRODMXRW-RLFYNMQTSA-N 299.418 3.554 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(c3ccsc3)CC2)C1 334342531 PYNRMERUEYJJEJ-SWLSCSKDSA-N 260.406 3.620 30 20 CHED C=CCCCCCN(C)Cc1cn2cc(C)ccc2n1 523551882 HBJWMALQESVDKH-UHFFFAOYSA-N 271.408 3.821 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(SC)ccc1C 248236418 DVGMUUVSIVTKLB-UHFFFAOYSA-N 263.406 3.755 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)c2cccnc2)cc1 248621958 NDZDJQKJLUGSSY-HUUCEWRRSA-N 295.386 3.565 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OC(C)C)cc1 341453833 GQIWGZSCFJZWLQ-UHFFFAOYSA-N 262.353 3.514 30 20 CHED N#Cc1ccccc1NC(=O)C[C@@H]1C[C@@H]1c1ccccc1 340710149 GDEINSBDTLZSTQ-JKSUJKDBSA-N 276.339 3.691 30 20 CHED C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(C#N)c1 245654718 CWISCLWLVAJZPC-VIBAHUMZSA-N 296.414 3.557 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc2ccoc2c1 432141796 XBIWOAMXZKNUNL-UHFFFAOYSA-N 279.255 3.956 30 20 CHED C=CCN(Cc1ccc(CC)nc1)c1ccccc1 348442129 VCZDVBYDYMGTKM-UHFFFAOYSA-N 252.361 3.837 30 20 CHED Fc1ccc(C#CCOc2cccc(F)c2F)cc1 433373265 RLWJGRVWFMVLKP-UHFFFAOYSA-N 262.230 3.534 30 20 CHED N#CCc1ccccc1NC(=O)c1cccc(C(F)F)c1 344388986 NCECRXUCTKJLCI-UHFFFAOYSA-N 286.281 3.943 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@@H](C)C1 345055181 DMMPXMYZHQZMCH-RHSMWYFYSA-N 284.403 3.733 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(F)c(C2CC2)c1 439804828 JAHPUODNVFTRIA-UHFFFAOYSA-N 262.328 3.743 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(Cl)cc2C)no1 601393007 YNKNHVBFSJLVAG-CQSZACIVSA-N 275.739 3.890 30 20 CHED C=CC[C@@H](CO)CN[C@@H]1CCCCc2ccc(Cl)cc21 341884698 WJQOUWZJVHDGRT-CXAGYDPISA-N 293.838 3.882 30 20 CHED COc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccc(C#N)cc1 601265405 PQTREWFECZXWNE-YJYMSZOUSA-N 292.382 3.905 30 20 CHED Cc1cc([C@@H](NCc2cccc(C#N)n2)C2CC2)ccc1F 602575724 ISHMFQSGXAFDEG-SFHVURJKSA-N 295.361 3.642 30 20 CHED Cc1ccc(C=NOCc2ccc(F)c(F)c2)cc1 255318155 FVJZYYLRTCBLDP-UHFFFAOYSA-N 261.271 3.824 30 20 CHED C=CC[C@H](C)NC(=O)NCC(C)(C)c1cccc(C)c1 604897183 KGQLUVUDJGIKMM-AWEZNQCLSA-N 274.408 3.536 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@](C)(C#N)C(C)C 255266485 XAYIHPRVHFWYOH-LJEUOOAZSA-N 290.794 3.798 30 20 CHED C=CCC1(C(=O)N2CCc3ccccc32)CCCC1 449053217 IYPLXFVCOMLDGD-UHFFFAOYSA-N 255.361 3.712 30 20 CHED CC1(c2ccc(Cl)cc2)CCN(CCCC#N)CC1 348169025 ODMLFTXASRIGJU-UHFFFAOYSA-N 276.811 3.997 30 20 CHED CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H](C)c1ccc(C#N)cc1 251975117 DCZAQMZRGPKCFI-IKICRFKJSA-N 296.414 3.904 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)cc2F)s1 255126212 YRVKUBVRXPOFFN-DJWKRKHSSA-N 275.279 3.794 30 20 CHED C=CC[C@H](CC)NC(=O)c1[nH]c(C)c(C(C)=O)c1CCC 341643229 DSHCBOYZYWVYFH-ZDUSSCGKSA-N 290.407 3.563 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](C)CSC)CCCC1(C)C 347418971 BBVCDFUJJBRARP-QWHCGFSZSA-N 269.454 3.579 30 20 CHED C=CC(C)(C)CNCc1ccc(OC(F)F)c(F)c1 449486969 WMHVBEWALYQHOB-UHFFFAOYSA-N 273.298 3.729 30 20 CHED O=C(/C=C\c1c(Cl)nc2ccccn12)c1ccccc1 255863028 MZWFKBKUSGHHKV-KTKRTIGZSA-N 282.730 3.884 30 20 CHED N#CCC1(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)CC1 602840237 MJPGGFFAEXYUPH-MRXNPFEDSA-N 294.402 3.784 30 20 CHED C=C1CCN(Cc2cc3cc(OC)ccc3o2)CC1 353319466 DVFVQMQVVPMYHC-UHFFFAOYSA-N 257.333 3.593 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 353542917 WYSKULVPWFCMHZ-INIZCTEOSA-N 297.333 3.970 30 20 CHED Cc1cc2c(S[C@@H](C)CCC#N)ncnc2s1 447330895 BMXMPCPINLSLLJ-QMMMGPOBSA-N 263.391 3.784 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc2c1OC(C)(C)C2 602315867 PMCOBTCWCVBIPG-UHFFFAOYSA-N 286.375 3.669 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1ccccc1SCCC#N 354276876 CWILARWRXBDBOM-NWDGAFQWSA-N 274.389 3.677 30 20 CHED N#Cc1csc(CNCC(F)(F)c2ccccc2)c1 353178662 AQXUZPXYCDPOOX-UHFFFAOYSA-N 278.327 3.501 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc2ccccc2n1 264305435 SCIWTXWRGKGYIS-UHFFFAOYSA-N 295.386 3.637 30 20 CHED CC1=C(C(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 447045234 VCFUZUVBASVLTC-UHFFFAOYSA-N 260.724 3.651 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCN(c3ccccc3)C2)CC1 449078360 UNWJBLINWKAECP-MUYFXNHWSA-N 297.446 3.575 30 20 CHED C=C(C)[C@H](CC(=O)N(C)Cc1ccc(CC)cc1)OCC 534414251 LGUSYWCCCJHENL-KRWDZBQOSA-N 289.419 3.579 30 20 CHED Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1O 357666373 AXRGKYAQIVXGPH-HNNXBMFYSA-N 294.354 3.727 30 20 CHED C=CCC1(NC(=O)c2ccnn2C(CC)CC)CCCC1 619108482 XNSDQTFMKBIQFU-UHFFFAOYSA-N 289.423 3.863 30 20 CHED CC(C)(C)OC1CCN(c2c(F)cc(C#N)cc2F)CC1 268251463 HNIZAJHNYKZXLR-UHFFFAOYSA-N 294.345 3.620 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(c3cccc(OC)c3)CC2)C1 617779195 XAJYCFJNJWMVOB-HNNXBMFYSA-N 299.414 3.542 30 20 CHED C=CCN(CCCOC(C)(C)C)Cc1cccc(C#N)c1 610681441 XJTLSWPJZDBITB-UHFFFAOYSA-N 286.419 3.751 30 20 CHED CCCOc1cccc(C(=O)Nc2ccccc2CC#N)c1 619873107 LZFXJFFJVXDBGB-UHFFFAOYSA-N 294.354 3.794 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1ccccc1F)C1CCCC1 537095064 IZBKUHCDUGKHBT-KDOFPFPSSA-N 291.410 3.831 30 20 CHED C=C(C)COCCN[C@H]1CCc2ccc(Cl)cc21 536854104 UVKGFYPMAJSQBR-HNNXBMFYSA-N 265.784 3.510 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC)c(Cl)c1)C1CC1 537928571 XLAGIJHMCJUMOB-UHFFFAOYSA-N 294.782 3.921 30 20 CHED CC[C@@H](C)n1ncc(Nc2ncccc2C#N)c1C1CC1 536502232 LGOIDKGYFCVKAD-LLVKDONJSA-N 281.363 3.742 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)c2c(F)cccc2F)C1 617782120 YVKTXSKDUQIMPV-STQMWFEESA-N 293.357 3.883 30 20 CHED Cc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)s1 618741244 CNDQDBJOQYQJOE-INIZCTEOSA-N 268.385 3.705 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn(C2CCCC2)c1CC 355486430 RORPGUCORDRGAB-UHFFFAOYSA-N 289.423 3.599 30 20 CHED C=CCC[C@H](NCc1ccc2c(c1)COC2)C1CC1 358287208 AUMWINMSFDYDRP-KRWDZBQOSA-N 257.377 3.551 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)c1ccc(F)c(C)c1)OCC 452319847 QNUHNENYMKZBGG-CZUORRHYSA-N 293.382 3.683 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)c1cccc(Cl)c1 452774956 MWZJOEJCTZAIRE-NSHDSACASA-N 265.784 3.772 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1c1ncccc1C#N 450598985 KBOCXOYADUBXCB-CPUCHLNUSA-N 277.371 3.724 30 20 CHED N#Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1Cl 539370661 RNXGDWRVORMUBI-UHFFFAOYSA-N 296.757 3.953 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc(F)cc1Cl 450674807 SWYJXMORLNRSEC-JTQLQIEISA-N 266.747 3.824 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](C)c1cc(F)ccc1F 455306106 GAFKSCVVKYWHQK-LLVKDONJSA-N 282.334 3.633 30 20 CHED CC[C@H](C)CN(C)C(=O)c1c(Cl)cc(C#N)cc1Cl 611094405 IYDUPVJZTKYXOQ-VIFPVBQESA-N 299.201 3.983 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C(F)(F)F)cc1C 450465358 FGTXBARJQZEILU-UHFFFAOYSA-N 271.282 3.662 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCSC[C@@H]1C1CC1 451656032 SAYZMZWRVMCMHV-OAHLLOKOSA-N 292.835 3.539 30 20 CHED CCSCCCN[C@H]1CCCc2cc(C#N)ccc21 619724490 QLSYXCKEBAGEQP-INIZCTEOSA-N 274.433 3.668 30 20 CHED C=CCC1(C(=O)N(C)CCCSC)CCCCC1 451426312 BAQSHYHSMFJKGQ-UHFFFAOYSA-N 269.454 3.725 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1C[C@]1(C)C(C)C 459257539 UEZLSYWXDPFWMJ-GOEBONIOSA-N 292.448 3.880 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2cc(C)ccc2C)no1 546313159 BUACUQFZLKOFCL-CQSZACIVSA-N 286.375 3.931 30 20 CHED C=CC(C)(C)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 450184818 QGAWNJCPAWONFO-UHFFFAOYSA-N 297.402 3.948 30 20 CHED C=CCC1(CNC(=O)c2cccc(C(C)=O)c2)CCCC1 456485078 JXXOMAFQGFSEBT-UHFFFAOYSA-N 285.387 3.756 30 20 CHED N#CCc1ccc(CNc2ccc([C@H]3CCOC3)cc2)cc1 453114298 GDSFHOCEXBIAIE-SFHVURJKSA-N 292.382 3.869 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)CCc1cnccn1 279556731 BAHUJIYGEGVOLZ-OAHLLOKOSA-N 291.439 3.522 30 20 CHED CC[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1 278158567 AUFLRLVETVNZIH-JKSUJKDBSA-N 272.392 3.557 30 20 CHED C=CCn1c(C)nnc1S[C@@H]1C=CCCCCC1 549621178 MKRUMJXYJURAIJ-CYBMUJFWSA-N 263.410 3.754 30 20 CHED C=C(C)CCNC(=O)N(C1CCC(C)CC1)C1CC1 459013725 ZGLCQSLTIAQNLT-UHFFFAOYSA-N 264.413 3.705 30 20 CHED C=CCCCCNC(=O)C[C@H](C)c1ccccc1OC 274484171 PLHXKCYZBBDPLH-AWEZNQCLSA-N 275.392 3.661 30 20 CHED COc1cc(CN2CCC(CC#N)CC2)ccc1SC 542853529 IOJVOIVPRNUJMD-UHFFFAOYSA-N 290.432 3.543 30 20 CHED C=CCSc1ccccc1C(=O)NC/C=C/CC 452608424 YIHWXBCUHNSRAU-VMPITWQZSA-N 261.390 3.661 30 20 CHED CC[C@@H](NCc1ccccc1COC)c1ccc(C#N)cc1 278350963 YZVLZYXIOTXAJK-LJQANCHMSA-N 294.398 3.946 30 20 CHED C#CCCCNc1ccccc1S[C@H](C)CC#N 270907818 LBEMPOZYSPTEJG-CYBMUJFWSA-N 258.390 3.906 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 465104850 VARLKZIISCITPH-INTQDDNPSA-N 284.186 3.788 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCc2c(Cl)cccc21 276012039 AZTLHZNILMQJPH-AWEZNQCLSA-N 278.783 3.545 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)C(C)(C)C 622944587 YILXCCRDJVPMSX-QWHCGFSZSA-N 277.433 3.973 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1c(CC)oc2ccccc12 464757286 SZYYIPPBTPWFBX-GFCCVEGCSA-N 286.375 3.711 30 20 CHED C[C@@H](C(=O)N[C@@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 462327014 VHYRNJRAIMYXNJ-CZUORRHYSA-N 284.403 3.747 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1/C=C/c1ccccc1 373367353 ZYGCJPBIDGGQSI-OFAQMXQXSA-N 282.387 3.631 30 20 CHED N#Cc1cc(N2CC[C@@H](CSc3ccccc3)C2)ccn1 288255395 GHFWOXCINYYYHA-CQSZACIVSA-N 295.411 3.572 30 20 CHED COc1ccc2cc(NC(=O)C3(C#N)CCCC3)ccc2c1 286967601 NIHBFDNWRYXWMO-UHFFFAOYSA-N 294.354 3.871 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](CC)C1 555249755 ZTJHGRMNKFKHLA-AWEZNQCLSA-N 290.455 3.679 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 557060861 FYSGAUDVOKXRRH-WCQYABFASA-N 283.375 3.507 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](c2noc(-c3ccnc(C#N)c3)n2)C1 289522984 CIHQPDDYXRDDKK-PJXYFTJBSA-N 282.347 3.543 30 20 CHED CC[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 280366472 SIZVTOQFNYBUEH-AWEZNQCLSA-N 284.403 3.750 30 20 CHED COc1cc(C#N)cc(Cl)c1OCCSC(C)C 282385690 ZJFKNWPHDZCCRC-UHFFFAOYSA-N 285.796 3.741 30 20 CHED C=CCCN(C)C(=O)NC[C@@H](CCC)CCCC 466776132 HVHPIMSYHLBERO-AWEZNQCLSA-N 254.418 3.810 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1cccc(F)c1Cl 287818895 TZGZNHKVTKUFMQ-UHFFFAOYSA-N 295.745 3.637 30 20 CHED N#Cc1cc(=N[C@@H](Cc2ccccc2)c2ccccc2)cc[nH]1 557476871 GCQFFLDEROBUGE-FQEVSTJZSA-N 299.377 3.771 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)NCC(C)(C)CCC#N 554472752 HLPPUTSTLWBGLE-INIZCTEOSA-N 299.418 3.612 30 20 CHED Cc1ccnc2[nH]c(SCC#Cc3ccc(F)cc3)nc12 470260428 CGMWWVHYEGTZHN-UHFFFAOYSA-N 297.358 3.549 30 20 CHED C=CC(C)(C)C(=O)Nc1sc2c(c1C#N)CCCC2 297752041 GDKQGSGHTTWROZ-UHFFFAOYSA-N 274.389 3.649 30 20 CHED CCCOc1ccc2c(c1)CCN([C@H]1CC[C@@H](C#N)C1)C2 293904185 WHJMNKHFYZSVHL-PBHICJAKSA-N 284.403 3.526 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2coc3ccccc23)nn1 806573149 GAWBYFIOBIOBEY-BQYQJAHWSA-N 281.315 3.501 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)[C@@H]1c1cccnc1 292762756 JPKJAMNMSIZYRI-QGZVFWFLSA-N 295.361 3.675 30 20 CHED CC#CC(=O)Nc1cccc(OCc2cccc(C)c2)c1 801154952 CKVKRHGIWOVDCS-UHFFFAOYSA-N 279.339 3.536 30 20 CHED N#CCCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 291045759 YVOGQJLRUQADPV-UHFFFAOYSA-N 288.681 3.574 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 479319453 UOBCAYONTAPOQZ-HNNXBMFYSA-N 289.419 3.920 30 20 CHED N#C[C@]1(C(=O)Nc2cccc3[nH]ccc23)CC12CCCC2 294399755 CUXOVDPYMOMDSU-KRWDZBQOSA-N 279.343 3.580 30 20 CHED C=CCC(C)(C)C(=O)NCCc1c[nH]c2c(C)cccc12 292887058 TWMXMRQFZRVHJX-UHFFFAOYSA-N 284.403 3.737 30 20 CHED C=CC[C@@H](C)[C@H](C)NC1(c2cccc(C#N)c2)CC1 560260748 FUBAZYQIZIPRDP-KGLIPLIRSA-N 254.377 3.738 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCO[C@@H](c2ccccc2)C1 644626456 LDCUHRQSHFHWKS-MRXNPFEDSA-N 287.403 3.579 30 20 CHED C=CCCCCCCCCN1C(=O)N(C)C(C)(C)C1=O 806673957 RQAUSNHLHXZVNU-UHFFFAOYSA-N 280.412 3.576 30 20 CHED C=CCOCCCN[C@H](C)c1cc2cccc(F)c2o1 470875201 ZYDZBCQZTMZDGV-GFCCVEGCSA-N 277.339 3.815 30 20 CHED C=CCC(C)(C)C(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 560619212 NFPMQIPUGZVEDA-IRXDYDNUSA-N 297.442 3.899 30 20 CHED CCOC(=O)c1ccc(NN=C(C)C(C)C)cc1C 812228285 KHRCKKQGJGTHHN-UHFFFAOYSA-N 262.353 3.616 30 20 CHED c1ccc([C@H]2CCC(=NO[C@@H]3CCCCO3)C2)cc1 814887064 HEORNYSTXIOLRM-GOEBONIOSA-N 259.349 3.853 30 20 CHED FC(F)(F)OCC(=NOC/C=C\Cl)c1ccccc1 811669936 WQXJJQGASVIMGS-MSVGHERUSA-N 293.672 3.696 30 20 CHED C=CCCCS(=O)(=O)Oc1cccc(Cl)c1Cl 813642846 XXMRZBDOBGKQJZ-UHFFFAOYSA-N 295.187 3.668 30 20 CHED COc1ccc(NN=C2CCC[C@@H]2C(C)(C)C#N)cc1 814885343 WPDOBNPBTDKSLY-AWEZNQCLSA-N 271.364 3.813 30 20 CHED C=C(Cl)CNC(=O)c1ccc(C2=CCCC2)cc1 810421789 PXJUHBXRVVYKMO-UHFFFAOYSA-N 261.752 3.736 30 20 CHED C=CCCCCCCCN1C(=O)[C@H](C)N(CCC)C1=O 811841495 JALJNHSDQNYIPI-AWEZNQCLSA-N 280.412 3.576 30 20 CHED C=CCCc1noc(COC[C@H](C)c2ccccc2)n1 650619831 PEAFMTOVMCMLKP-ZDUSSCGKSA-N 272.348 3.509 30 20 CHED N#CCC[C@@H](C#N)CNc1ccc(OC(F)F)c(Cl)c1 819397946 HKQJFKSWDPOLSP-VIFPVBQESA-N 299.708 3.797 30 20 CHED CC(C)[C@H]1CC(=NNc2ncnc3sccc23)CS1 814767850 XZBABHYGZKSDNM-LLVKDONJSA-N 292.433 3.621 30 20 CHED CCCCC[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 486790155 FEBHWKJKZGXMKU-KRWDZBQOSA-N 299.418 3.541 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@H](c1ccco1)N(C)C 657821456 NFZLBSBDIZDBSE-BZUAXINKSA-N 276.424 3.607 30 20 CHED Cc1ccc(C[C@@H]2CCCN(c3cc(C#N)ccn3)C2)cc1 577086177 KWUWMDZPYWFSBE-SFHVURJKSA-N 291.398 3.721 30 20 CHED CCON=C1CC(c2ccc(Br)cc2)C1 814788209 ISZHNAKDUJBCJU-UHFFFAOYSA-N 268.154 3.719 30 20 CHED Fc1ccc2c(c1)C(=NOC/C=C\Cl)CCC2 811672233 UFFCRJYDELJATD-GIWJDWNJSA-N 253.704 3.635 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@H]1CC1(C)C)c1ccccc1 489396414 VYBSNLXWKUBQBU-ZFWWWQNUSA-N 257.377 3.603 30 20 CHED Cc1nc(N2CCc3c(Cl)cccc32)ccc1C#N 488076296 FBPRDXMKGWTKDC-UHFFFAOYSA-N 269.735 3.609 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccccc1Cl 812390529 YWTIQQJPGHCISY-LICLKQGHSA-N 275.735 3.673 30 20 CHED CCC(=NOCC(F)(F)F)c1ccc(Cl)c(N)c1 814879924 KQQGDIURAZVOME-UHFFFAOYSA-N 280.677 3.615 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1ccncc1 819291644 WWAAHFPROSQJPB-BMFZPTHFSA-N 272.392 3.641 30 20 CHED C[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 572590899 SUVJYBYFVWPUKX-LBPRGKRZSA-N 297.333 3.623 30 20 CHED C=CCC1(c2nc(-c3cccc(COC)c3)no2)CCC1 572283680 SEDMGMUHWSUXIR-UHFFFAOYSA-N 284.359 3.881 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1C(F)F 819726279 RYYRZODIHJFOKM-UHFFFAOYSA-N 261.218 3.774 30 20 CHED CCc1ccc(C#CC(=O)N(C2CCCC2)C2CC2)cc1 815398569 MUVCNMIUDMJSQX-UHFFFAOYSA-N 281.399 3.534 30 20 CHED Cc1sccc1C=NNc1ccc(F)c([N+](=O)[O-])c1 814904963 HVZASJQAUWPHBS-UHFFFAOYSA-N 279.296 3.550 30 20 CHED C=C(C)CNC(=S)Nc1cccc(Br)c1C 726908102 HOYOSMIXPLPKIB-UHFFFAOYSA-N 299.237 3.620 30 20 CHED N#CCCN(C(=O)C[C@H]1C=CCCC1)c1ccc(F)cc1 575932950 AIUACJBABKFJGT-AWEZNQCLSA-N 286.350 3.819 30 20 CHED C=CCCNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 660228903 HWRQPPRYIIXLOI-SNVBAGLBSA-N 286.297 3.642 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ncc(C(C)C)s1 820582281 BNTZNVIUXICOFP-UHFFFAOYSA-N 267.394 3.912 30 20 CHED N#CC1(CNC(=O)N2CCCCC[C@H]2c2ccccc2)CC1 570757175 QCRZNJNSULKNLW-INIZCTEOSA-N 297.402 3.617 30 20 CHED CC(=O)c1ccccc1OCCON=Cc1ccc(C)cc1 824719453 FQXCDOLYXVQCSU-UHFFFAOYSA-N 297.354 3.627 30 20 CHED CC[C@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 729077447 YIWMRCNMGDIUTM-LBPRGKRZSA-N 299.326 3.686 30 20 CHED CCCCC(=O)N(CC(C)C)c1ccc(C#N)cc1 499317290 BQXRHAJWHCXMMO-UHFFFAOYSA-N 258.365 3.737 30 20 CHED C=CCCNC(=O)Nc1cnn(CCC(C)C)c1C(C)C 666885088 ILVLURCMTRWXQK-UHFFFAOYSA-N 292.427 3.750 30 20 CHED Cc1c(NC[C@H](C#N)CCC#N)cccc1-c1ncco1 581305931 DOFFNHZYIPCZDH-ZDUSSCGKSA-N 280.331 3.505 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC)C1CCCCC1 586909500 ZVPHVYGEKKITDA-HNNXBMFYSA-N 264.413 3.729 30 20 CHED COc1ccc2[nH]cc(C=NNc3cccc(F)c3)c2c1 730145707 LICFBFDENLLDSN-UHFFFAOYSA-N 283.306 3.762 30 20 CHED C=CC[C@@H](NC(=O)N1CCC(CC)CC1)c1ccncc1 734677909 ATQZZYUSDSBYLF-MRXNPFEDSA-N 287.407 3.530 30 20 CHED C#CCN(C(=O)c1ccc2oc(C)nc2c1)C1CCCCC1 490715039 TXTLEJXXKDNONW-UHFFFAOYSA-N 296.370 3.544 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cncn1C)CCO2 901486269 ZFLOMMUXMDCPRA-ZSOIEALJSA-N 296.370 3.592 30 20 CHED COc1cccc2c1CC/C(=C/c1cc(C#N)cs1)C2=O 588618119 FOCZNLAPZOGPGY-WQLSENKSSA-N 295.363 3.841 30 20 CHED C=CCCNC(=O)N(C)[C@@H](c1ccccc1)C(C)C 665945005 AFTTZOHGULTPCK-OAHLLOKOSA-N 260.381 3.601 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CCCCCC#N 588160641 GLPHERDIDYPXRG-DOTOQJQBSA-N 284.403 3.865 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)CCC(C)(C)C)[nH]c12 739193621 SULFHAJECQAWSK-GFCCVEGCSA-N 283.375 3.874 30 20 CHED Cc1ccc(C=O)cc1C(=O)OCCCCC(C)(C)C#N 909931058 GKKRYJUXXYQVCV-UHFFFAOYSA-N 287.359 3.684 30 20 CHED CS[C@H]1CCCC(=NNc2ccc(Cl)nc2)C1 901194702 NJYPNIIJPSGETB-NSHDSACASA-N 269.801 3.809 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3nc(O)[nH]c3c2)cc1F 731489815 NHXIXGHTLLOTNO-DAXSKMNVSA-N 296.301 3.612 30 20 CHED Cc1cc(C(=O)N(O)Cc2cccc3ccccc23)co1 900091603 CZNPMHURJVEYJQ-UHFFFAOYSA-N 281.311 3.773 30 20 CHED C#C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(Cl)cc1F 491768661 ISVSHQUGBQJFHK-XHDPSFHLSA-N 288.753 3.899 30 20 CHED C=C[C@@H](CC)OC(=O)c1cn(CC(C)C)nc1C(F)F 835274554 UHDCXRKPKGQWDN-JTQLQIEISA-N 286.322 3.598 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@H](Cc2ccccc2)C(F)(F)F)C1 589344285 GGQGABJKHROOCM-ILXRZTDVSA-N 296.336 3.689 30 20 CHED Cc1ccc(C(=O)N2CC[C@@H](CC(C)(C)C)C2)cc1C#N 837165526 GAJFAACKPACCQM-AWEZNQCLSA-N 284.403 3.765 30 20 CHED C=CCC[C@@H](NC[C@@]1(C)CC1(Cl)Cl)C1CC1 834884327 KPPBTOZVPMOSBO-VXGBXAGGSA-N 262.224 3.905 30 20 CHED C#CCOc1ccc(N=Cc2ccc(OCC)cc2O)cc1 730951237 MADZCQNJFNTKJX-UHFFFAOYSA-N 295.338 3.554 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(/C=C\C)cc1 673352772 CXKAMSFYGQOTRW-UTCJRWHESA-N 266.344 3.960 30 20 CHED CC(C)(C)C#CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 837505658 MCPXXEWVZMOTDC-UHFFFAOYSA-N 286.158 3.687 30 20 CHED C#Cc1cccc(NC(=S)N2CCCC[C@@H]2C(C)C)c1 735240628 AYXDGMZGATXZAF-MRXNPFEDSA-N 286.444 3.875 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1c2ccccc2O[C@@H]1C 673560992 CUQRZPILBMFYFW-WOSRLPQWSA-N 288.391 3.553 30 20 CHED C=CCC[C@H](C(=O)O[C@H](C)CC(C)(C)O)c1ccccc1 835417893 JRKFGUJHNIHXEK-ZBFHGGJFSA-N 290.403 3.829 30 20 CHED C=CCCN[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C 739915940 UQTUWVJKTCFGFU-YOEHRIQHSA-N 296.455 3.626 30 20 CHED CCc1nc(C)c(C(C)=NNc2ccc(C#N)cc2)s1 735227388 SMEBQRRUHHACBD-UHFFFAOYSA-N 284.388 3.722 30 20 CHED c1ccc2c(NN=C3C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)nncc2c1 915909960 WYDSDFMHEPKKQV-VRKREXBASA-N 292.386 3.854 30 20 CHED CCCCNN=C(C)c1cc(C)ccc1OC(F)F 915966014 JFBCENFRZWTORU-UHFFFAOYSA-N 270.323 3.710 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H]1c1c(C)cccc1C 597886576 ONSBWGBVXRCSGI-CABCVRRESA-N 270.376 3.517 30 20 CHED C#CCCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 742788258 JGNXRPQEKMAKMR-UHFFFAOYSA-N 282.387 3.609 30 20 CHED Oc1ccccc1/C=N/Cc1c(F)cccc1Cl 745624113 FWAIKEXSMKEFJT-CAOOACKPSA-N 263.699 3.804 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C)s1)c1ccc(C#N)nc1 593273808 PBZWTLRYAPIHPW-UHFFFAOYSA-N 299.399 3.589 30 20 CHED C=C(CNC(=O)[C@H](CCC)C(C)C)c1ccccc1 672482149 TVVIDVCYMSUYIP-MRXNPFEDSA-N 259.393 3.888 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1ccsc1 749104485 LQKMSCSNAQWSRY-UHFFFAOYSA-N 274.349 3.567 30 20 CHED Cc1ccc(C(=O)/C=C2\COc3ccc(F)cc32)cc1 918154174 GATNEJHANVUBDA-MDWZMJQESA-N 268.287 3.793 30 20 CHED Cc1cccc2c1C/C(=C\c1cnc3cccc(C)n13)C2=O 748997141 GIQXEZPLAZKYSK-NTEUORMPSA-N 288.350 3.774 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1[C@H]1CCCOC1 843924752 RGNJWRBZHMPJSI-JKSUJKDBSA-N 281.440 3.765 30 20 CHED Cc1cc(C#N)ccc1N[C@@H](C)Cc1c(C)noc1C 846750601 SOKKJFIWBVNECX-NSHDSACASA-N 269.348 3.515 30 20 CHED C=C(C)CCOC(=O)/C=C\c1ccc(Cl)cc1 744304653 VWKFIJKUMSJQRM-YVMONPNESA-N 250.725 3.863 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc(SC(C)C)cc1 594087208 BWMJTSARHUJPDW-ZDUSSCGKSA-N 276.405 3.561 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 597002406 BFUUROCFKSRUCA-ZIAGYGMSSA-N 298.386 3.722 30 20 CHED Cc1ccccc1C[C@H](C)/N=C\c1ccccc1O 917557162 ZQILPHYCZORLJZ-HIXWQLQUSA-N 253.345 3.751 30 20 CHED Cc1ccc2oc(CNC(=O)C3(C#N)CCCCC3)cc2c1 598204163 IHUBMJSKGQXEKJ-UHFFFAOYSA-N 296.370 3.832 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC(C)(C)C1 594008955 RKIXYIZXJXKWTM-WMLDXEAASA-N 298.430 3.822 30 20 CHED CC[C@@H](C)NC(=S)N(CC)[C@@H](C)c1ccc(C#N)cc1 749763977 BPTVYIVWTXCWCD-OLZOCXBDSA-N 289.448 3.614 30 20 CHED C[C@H](CN(C)[C@H](C#N)c1ccccc1)c1ccccc1 595304741 GFKHZHZPPHSAOU-CRAIPNDOSA-N 264.372 3.987 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)CCc2ccc(C#N)cc2)C1 598299461 LXQRHTCYVMTRBB-HUUCEWRRSA-N 284.403 3.528 30 20 CHED C(=NNc1ncccn1)C(c1ccccc1)c1ccccc1 912973412 ZXXJHGBQBKRVQS-UHFFFAOYSA-N 288.354 3.706 30 20 CHED COCc1cccc(C=NN[C@H](C)c2ccccc2)c1 743435359 CIXBJMMHAYHTIH-CQSZACIVSA-N 268.360 3.518 30 20 CHED C[C@@H](NC(=O)N[C@@H]1C[C@H]1CC(C)(C)C)c1cccc(C#N)c1 593367634 YBQBDRRYMSCQIF-UHOFOFEASA-N 299.418 3.743 30 20 CHED C=CCOc1ccc(OC(=O)CCC(C)(F)F)cc1 742863806 YFQGWMTYONJYRI-UHFFFAOYSA-N 270.275 3.592 30 20 CHED CCCCNN=Cc1ccc(-c2ccc(C)cc2)o1 915969563 MTXDKOQCFPTSMO-UHFFFAOYSA-N 256.349 3.979 30 20 CHED C#CCCCCN[C@H](c1ccc(OC)cc1)c1ccccn1 846154119 NZPLJNCNHYTMKD-LJQANCHMSA-N 294.398 3.573 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)C#Cc2ccccc2)cc1 747352682 IMCPWICGQBENSK-LJQANCHMSA-N 289.378 3.710 30 20 CHED CCc1ccc([C@H]2CCCN(C(=O)[C@@H](C#N)CC)C2)cc1 593704583 OOCVAFSJMBSSOR-WBVHZDCISA-N 284.403 3.505 30 20 CHED CCCCCCO[C@@H](C)C(=O)OCc1ccc(C#N)cc1 840598779 UOXAUNVNRWMMKQ-AWEZNQCLSA-N 289.375 3.587 30 20 CHED CC1(C#N)CCC(NCCN2CCCc3ccccc32)CC1 590643756 GPDWZMMUZRFQMS-UHFFFAOYSA-N 297.446 3.501 30 20 CHED CC/C=C\CCOC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 840605783 QIOZZVHTFHJVHQ-MYIWKSEUSA-N 269.344 3.561 30 20 CHED CC[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(F)cc1F 747399488 QUKAMMXXMVTSLP-QGZVFWFLSA-N 299.320 3.584 30 20 CHED CC1(C)C[C@H](C(=O)OCC2(C#N)CCC2)c2ccccc2O1 840656050 IWAQTMUMCLYASA-AWEZNQCLSA-N 299.370 3.568 30 20 CHED N#CCC1(COc2ccnc3c(Cl)cccc23)CC1 596274805 GYCFGWQVMJKWIR-UHFFFAOYSA-N 272.735 3.961 30 20 CHED C=CCCOCC(=O)NC1CCC2(CCCCC2)CC1 682567114 NIQQFCYPNJNONG-UHFFFAOYSA-N 279.424 3.588 30 20 CHED Cc1cc(C=NNc2cc(F)cc(F)c2)cc(C)c1O 920376824 UYAQHYCHXCRHDS-UHFFFAOYSA-N 276.286 3.733 30 20 CHED N#Cc1cccc(OC2CCN(CCC3CCC3)CC2)c1 595301975 HPCJMVSCYXSZRF-UHFFFAOYSA-N 284.403 3.592 30 20 CHED CCOc1cccc(/C=N/[C@@H]2C[C@@H]2c2cccc(F)c2)c1O 921260726 DVTYBNIWQURSAY-WKVLGULQSA-N 299.345 3.905 30 20 CHED C=C[C@@H](C)ONC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 845634417 SWNWHSMHMSHBJX-OCCSQVGLSA-N 294.395 3.967 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 744102756 YHWVKYGLFXPWFS-XJKCOSOUSA-N 271.360 3.989 30 20 CHED COc1cccc(F)c1C(C)=NNc1cccc(C)c1 741810578 LYIWINGQHGQATJ-UHFFFAOYSA-N 272.323 3.979 30 20 CHED CC#CCCNC(=O)NC(C)(C)c1ccc(C(C)C)cc1 681516288 NTGPNOUNXSKJCN-UHFFFAOYSA-N 286.419 3.758 30 20 CHED OCc1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 920944360 CCVWNKTUKFLLHL-UHFFFAOYSA-N 296.153 3.942 30 20 CHED C=C[C@](C)(CC)COC(=O)[C@@H](OC)c1cccc(OC)c1 850976709 GPSQDNNZUUQALJ-DOTOQJQBSA-N 292.375 3.528 30 20 CHED C=CCCC(=O)OCc1coc(-c2c(F)cccc2F)n1 751699049 KNSQHBKZYPYMDW-UHFFFAOYSA-N 293.269 3.629 30 20 CHED COc1ccc(NN=Cc2cc(C)cc(C)c2)cc1 750926503 ZIQYKUQMZRWIDO-UHFFFAOYSA-N 254.333 3.758 30 20 CHED N#C[C@@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1 928227667 IWNFHDRYBXVUCV-ZDUSSCGKSA-N 296.395 3.791 30 20 CHED C#CCCCC(=O)NCCCOc1ccc2ccccc2c1 757992999 BLGGSTCBIPXWBF-UHFFFAOYSA-N 295.382 3.528 30 20 CHED CCC1(C)CCC(=NNC(=S)Nc2cccnc2)CC1 751516739 ROYPXDQPLQJEEG-UHFFFAOYSA-N 290.436 3.714 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2c(s1)CCCCCC2 753427625 BMROEPUACUYWGL-GFCCVEGCSA-N 277.389 3.866 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](Cn1ccnc1)c1ccccc1 926864763 OMRMNTPFKDAOLF-DOTOQJQBSA-N 296.418 3.542 30 20 CHED FC(F)(F)CCNN=C1CCC(=C2CCC2)CC1 853340868 BWEBPWOLJRWLKM-UHFFFAOYSA-N 260.303 3.939 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H](C)c1ccc(F)cc1 920177716 JISCSKHOPIJSQC-ZGXHQARYSA-N 287.334 3.763 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@]2(C)CC2(Cl)Cl)C1 855437174 SQELWKGVFIMVJO-YPMHNXCESA-N 290.234 3.775 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1cccc(Cl)c1 921220137 WHOWBTGUMGAVQE-NEPJUHHUSA-N 282.767 3.925 30 20 CHED N#CC1(CC(=O)O[C@@H]2COc3ccccc32)CCCCC1 850904423 WBVFWVASAAACDM-OAHLLOKOSA-N 285.343 3.527 30 20 CHED COc1cc(F)cc(NN=Cc2cccc(C)c2C)c1 759210600 SHSICAMJQKPCDC-UHFFFAOYSA-N 272.323 3.897 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1ccc(O)cc1O 757473446 XKDQNCHLYORIDD-YFHOEESVSA-N 298.338 3.781 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)N(CC)c1ccccc1 853783964 SGVPAAIYHVTLFR-GFCCVEGCSA-N 283.824 3.914 30 20 CHED Cc1ccnc(NN=C2CCOc3cc(C)cc(C)c32)c1 755899966 IPFNELGFNVXXNG-UHFFFAOYSA-N 281.359 3.606 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 755822598 KSCSKSUSGAQBEG-CYBMUJFWSA-N 298.726 3.515 30 20 CHED CCC1(CNCc2ccc(O[C@H](C)C#N)cc2)CCC1 752266405 QFSCOANANQLJLE-CQSZACIVSA-N 272.392 3.647 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)nc1C 935717728 MTCAENOBTPVWKM-JTQLQIEISA-N 252.745 3.584 30 20 CHED Cn1nccc1C(=O)/C=C\c1cc(Cl)ccc1Cl 766034347 RAYCTRZLACJGNU-DJWKRKHSSA-N 281.142 3.623 30 20 CHED CO[C@@H](C)C(C)=NNC(=S)Nc1ccccc1C(C)C 763167476 DOENROQODACQSM-LBPRGKRZSA-N 293.436 3.507 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 935370091 FAFSZLFIZCVCJI-FMKPAKJESA-N 272.392 3.593 30 20 CHED C=C(C)CCOC(=O)[C@H](C)c1c(F)cccc1F 764665200 YOINJFYTIREQKI-SNVBAGLBSA-N 254.276 3.578 30 20 CHED COc1ccsc1C=NNCc1ccccc1Cl 764682978 PSHJEVPKNNIUGR-UHFFFAOYSA-N 280.780 3.534 30 20 CHED COc1ccc(C=NNc2cccc3cnccc23)s1 763172008 CORXWZHIBZRDQK-UHFFFAOYSA-N 283.356 3.751 30 20 CHED C#CCCc1noc(-c2ccc(-c3ccccc3)nc2C)n1 762002787 ZFYZZAHHTZGWKG-UHFFFAOYSA-N 289.338 3.673 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2ccc(Cl)cc2)c1 763171489 VWFVIPOQKURBNA-VOTSOKGWSA-N 290.702 3.616 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccccc1C 860197419 BYNWKPXEAKHLNZ-ZDUSSCGKSA-N 259.349 3.929 30 20 CHED CCC[C@@H](C)c1noc(-c2cccc(CC#N)c2)n1 761842205 JAKVTRYVQIZKKI-LLVKDONJSA-N 255.321 3.706 30 20 CHED C#CCC(C)(C)C(=O)N(C)Cc1ccc2ccccc2c1 767043101 LFJWHLDSGGBBOU-UHFFFAOYSA-N 279.383 3.848 30 20 CHED C#C[C@@H](CC)OC(=O)c1coc(-c2ccccc2Cl)n1 768062428 XCFODJWWCJJJGH-JTQLQIEISA-N 289.718 3.564 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(OCC#N)cc2)s1 1349217552 IUHYWBMBLCKVMX-UHFFFAOYSA-N 286.356 3.520 30 20 CHED C#Cc1cc(F)c(NCc2nc(C)sc2C)c(F)c1 1116946466 KYYPTEXGRSIXOR-UHFFFAOYSA-N 278.327 3.632 30 20 CHED C=CC(C)(C)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 879355045 WPFQNCITFHHLBJ-UHFFFAOYSA-N 294.398 3.776 30 20 CHED Clc1ccccc1CNN=C1CCOC2(CCC2)C1 1117783006 SZWYLQXQPBTXCY-UHFFFAOYSA-N 278.783 3.519 30 20 CHED Cc1ccc(N(Cc2cccs2)C(=O)CC#N)cc1 772959338 VHHBFVOCSHAYBO-UHFFFAOYSA-N 270.357 3.503 30 20 CHED O=C(/C=C/c1cc(F)cc(Cl)c1)c1ccco1 776720683 STWIRJMIIAXLPU-ONEGZZNKSA-N 250.656 3.968 30 20 CHED Clc1ccnc(NN=C[C@H]2CCOc3ccccc32)c1 777906496 WMGGGPIFDNVWMD-LLVKDONJSA-N 287.750 3.699 30 20 CHED CSc1ccc(/C=C2\C(=O)Nc3cc(C#N)ccc32)cc1 773152178 ZVVBLTRIIWEDCL-NVNXTCNLSA-N 292.363 3.773 30 20 CHED C#CCCCCC(=O)OCc1ccc(OC)c(Cl)c1 773627640 CKQAZIQREOENBY-UHFFFAOYSA-N 280.751 3.585 30 20 CHED C[C@@H](COc1ccccc1)N[C@H](C)c1cccc(C#N)c1 776158377 FPMBHZSKQJPGSO-LSDHHAIUSA-N 280.371 3.676 30 20 CHED CCCC(=NNCCOC(C)C)C1CCCCC1 778554763 XHCQDAHPKZUKFV-UHFFFAOYSA-N 254.418 3.737 30 20 CHED C=CCn1c(C2[C@H]3CCCC[C@H]23)nnc1N1CCC(=C)CC1 1121570235 MCZPCFXGMRCXIK-GJZGRUSLSA-N 298.434 3.524 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C1=CCCCCC1 775866865 NKWILQLKEHHRQK-UHFFFAOYSA-N 287.334 3.667 30 20 CHED C#CCCCNc1cc(C)n(-c2cccc(Cl)c2)n1 776853436 MKDUJRSSOIPDMX-UHFFFAOYSA-N 273.767 3.659 30 20 CHED COCCOc1ccc(C(C)=NOC2CCCCC2)cc1 777458533 JCGCFMZFWWDDCW-UHFFFAOYSA-N 291.391 3.785 30 20 CHED C=C1CCC(C(=O)N(C)Cc2ccc(F)cc2F)CC1 887898964 VHCFJNQSBAVNJL-UHFFFAOYSA-N 279.330 3.670 30 20 CHED CC(/C=C\C(=O)c1cccnc1)=C\c1cccc([N+](=O)[O-])c1 787166482 AVVYFVZNEQUGKF-BRSIODNASA-N 294.310 3.832 30 20 CHED CC(C)CCn1cccc1C=NNc1ccnc(F)c1 781133742 HIVGJBMTIGDDSM-UHFFFAOYSA-N 274.343 3.514 30 20 CHED CCCCCCCCC(=O)NCC1(C)CCN(C)CC1 780741566 CVNAWENYUKICNK-UHFFFAOYSA-N 282.472 3.585 30 20 CHED C#CCC1(C(=O)OCc2ccc(F)c(C#N)c2)CCCCC1 788213303 WDOJDAXLCXIOSX-UHFFFAOYSA-N 299.345 3.714 30 20 CHED C=CC(C)(C)CC(=O)N[C@@](C)(C#N)C1CCCCC1 889656570 DWOBYSMZZRQYPR-INIZCTEOSA-N 262.397 3.567 30 20 CHED C#CCCCCCC(=O)N(C)c1nsc2ccccc12 892734740 UTPRBCHIUBQCOA-UHFFFAOYSA-N 286.400 3.843 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1nc(C2CC2)cs1 781185150 PYNQDPCXXKDYKR-MNOVXSKESA-N 295.404 3.606 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)CCCc1ccsc1)CC2 783062711 YAFWGWLLJILRTJ-UHFFFAOYSA-N 296.395 3.532 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2ncc[nH]2)cc1 780452056 ZFORQMWLBMJPRU-UHFFFAOYSA-N 281.359 3.599 30 20 CHED C[C@H]1CCC(=NN[C@H](CO)c2ccccc2)c2ccccc21 788453742 BBAZCAWMQQYQCT-IFXJQAMLSA-N 294.398 3.611 30 20 CHED COc1ccc(Cl)c(NCc2cc(C#N)cs2)c1 93687721 SEUJKLAWQDTPGR-UHFFFAOYSA-N 278.764 3.894 30 20 CHED COc1ccccc1CON=Cc1ccnc2ccccc12 799119666 PZEMUVRKZAGGMD-UHFFFAOYSA-N 292.338 3.794 30 20 CHED CCCCCC=NNc1cccc(F)c1[N+](=O)[O-] 790308609 IZWSHDRYAVJDES-UHFFFAOYSA-N 253.277 3.712 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cc(C)ccc1O 793160955 FVSJQXAIIRXEBB-UHFFFAOYSA-N 275.739 3.585 30 20 CHED CC1(CNN=Cc2ccccc2Br)CCCC1 793081226 IPSBKJAURFOJIP-UHFFFAOYSA-N 295.224 3.953 30 20 CHED C#C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(C)(C)C 702244524 MWEZTZGMGFUPTN-GFCCVEGCSA-N 284.186 3.771 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CC[C@H](CO)CC1 793536864 YJEFJGLNEPTJQO-BZUAXINKSA-N 253.430 3.652 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)o1)c1cc(C)ccc1OC 797031994 JMKZUADRSRMTMK-CQSZACIVSA-N 299.326 3.776 30 20 CHED CCCCC[C@@H](C)NC(=O)/C=C\c1ccccc1C#N 799599325 AHWXIYQPYYEKKB-XMXAVACDSA-N 270.376 3.656 30 20 CHED C=CCOCCN(C)[C@@H](C)c1ccccc1Cl 559049363 INBUTHUQGFAUHZ-LBPRGKRZSA-N 253.773 3.535 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H]1[C@@H]1CCCO1 790794888 BCZJSUOWQVFAGU-HOTGVXAUSA-N 296.455 3.700 30 20 CHED C#CCC(C)(C)C(=O)Nc1cnn(C(CC)CC)c1CC 791620474 QPKJJSDRUSEARU-UHFFFAOYSA-N 289.423 3.795 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(F)cc2C)ccc1C#N 799497427 QMJUYUJULJJAQX-YWEYNIOJSA-N 295.313 3.911 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)CCCCC 798038407 XLYNYRYGYJSYIX-GJZGRUSLSA-N 281.440 3.690 30 20 CHED CC[C@@H](C)CON=C(C)c1cc2c(C)nn(C)c2s1 793145578 KSVYNAIFNIPIAA-SECBINFHSA-N 279.409 3.730 30 20 CHED C[C@H](OC(=O)[C@H](C)Cn1ccc2ccccc21)C(C)(C)C#N 797177080 KLORTTCUFZYPDI-KGLIPLIRSA-N 298.386 3.759 30 20 CHED Cc1cccc(F)c1CNc1ccc(F)cc1C#N 742419778 PYYXMFQIEZCRQF-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C#Cc1cncc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)c1 798284214 ZKAKOCOXDIDVJR-UHFFFAOYSA-N 292.382 3.637 30 20 CHED C=CCCCCC[C@@H](C)NCc1c(C)noc1C 793519088 AXBCXDPVWLFKDX-GFCCVEGCSA-N 250.386 3.906 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1cc(C(=O)O)cs1 692188960 CXBXMPIBSIMMAU-BXUZGUMPSA-N 279.405 3.671 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCc2c(O)cccc21 89527372 CLTIDRQTYKMWLR-HNNXBMFYSA-N 268.291 3.502 30 20 CHED N#C[C@@H](Cc1ccccc1)SCc1nc2ccccc2[nH]1 1166308345 YOMJRQLDHUROQV-CQSZACIVSA-N 293.395 3.931 30 20 CHED CC[C@@](C)(NC(=O)c1csc(C#N)c1)c1ccccc1 1324356063 FSHHOVBLVUVPGF-MRXNPFEDSA-N 284.384 3.675 30 20 CHED CC(C)C[C@@H](C)Cc1nnc(COc2ccccc2C#N)o1 1322089842 ZGOAJNFDOSFMEE-CYBMUJFWSA-N 299.374 3.745 30 20 CHED C=Cc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 1186510811 ATIXXTNGGDBBNQ-UHFFFAOYSA-N 262.312 3.648 30 20 CHED CC(C)n1ncc2c1[C@H](/N=C\c1ccccc1O)CCC2 1320242547 SMMNZPZOWCDSGU-YQYFLZKSSA-N 283.375 3.666 30 20 CHED O=C(CC#Cc1ccccc1)N1CCCCc2ccccc21 1323870213 DBCHSINDKMVUOH-UHFFFAOYSA-N 289.378 3.798 30 20 CHED CN(CCCF)c1c(C#N)cnc2c(Cl)cccc12 1187662981 RMSINOKMRLWIJU-UHFFFAOYSA-N 277.730 3.556 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNc1cccc(CC#N)n1 1256388084 KTEYEPZCGFOMBX-RDBSUJKOSA-N 257.381 3.632 30 20 CHED CCC[C@H]1[C@H](C)CCCN1c1cc(C)c(C#N)cn1 1185536344 YMPKYTQMRKDLKJ-DOMZBBRYSA-N 257.381 3.667 30 20 CHED N#Cc1cccc(N(C(=O)Cc2cccs2)C2CCC2)c1 1332591937 DMEZMHLYYQQIAH-UHFFFAOYSA-N 296.395 3.748 30 20 CHED C=CCOc1cccnc1-c1nnc(-c2ccccc2F)o1 1257672534 HZNDKMZYTXTFKZ-UHFFFAOYSA-N 297.289 3.503 30 20 CHED CC(=O)CCCCCCC(=O)OCc1ccc(C#N)s1 1261559354 IXYYBWZCFVXQIX-UHFFFAOYSA-N 293.388 3.593 30 20 CHED CCCC(=O)O[C@@H](c1cccs1)[C@H](C#N)CC 1348798319 IXCHPTSZQCNIMJ-GXFFZTMASA-N 251.351 3.682 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)s2)CC1 1435981906 RBCLJIRGNHAMGO-QWHCGFSZSA-N 290.432 3.954 30 20 CHED C=C[C@H](C(=O)N1CCC[C@@H](CSC)C1)c1ccccc1 1352229309 BOLOPEBNENUTEN-ZBFHGGJFSA-N 289.444 3.558 30 20 CHED Cc1ccc(C)c(C2CCN(c3ccnc(C#N)c3)CC2)c1 1458677807 WBKARJPQEHLFPN-UHFFFAOYSA-N 291.398 3.954 30 20 CHED CSc1cccc(NC(=O)c2ccsc2C#N)c1C 1520824362 LWJGXFYDYLCHMX-UHFFFAOYSA-N 288.397 3.902 30 20 CHED Cc1nsc(Nc2cccc(-c3ccon3)c2)c1C#N 1458649685 QENXMJDWUYNAEI-UHFFFAOYSA-N 282.328 3.722 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2cc(C#N)cs2)C1 1524770896 VTFLLUKVXBPNFX-LLVKDONJSA-N 263.362 3.745 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2ccc(CC#N)cc2)C1 1524771112 YPBYJOIADJAPMB-OAHLLOKOSA-N 271.360 3.878 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)Nc1cc(F)cc(C#N)c1 1535154853 MYHGOYNAMUWPBF-UHFFFAOYSA-N 295.317 3.531 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(CC)[C@H](C#N)CC)cc1 1538757921 VXGXIOURNGPQEJ-YOEHRIQHSA-N 286.419 3.893 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)Nc1cc(C#N)ccn1 1537536605 IGGFEYBMRVYXRI-UHFFFAOYSA-N 293.370 3.794 30 20 CHED O=C(O)c1csc(C(=O)/C=C/C=C/c2ccccc2)c1 1610870058 HFBZQOHHBTUWPL-KBXRYBNXSA-N 284.336 3.899 30 20 CHED Cc1cnn(-c2ccc(Oc3cc(C)ncc3C#N)cc2)c1 1612258914 YZKKKYBOVQWWBQ-UHFFFAOYSA-N 290.326 3.548 30 20 CHED CC(=O)Nc1ccc(SCc2ccc(C#N)s2)cc1 1559352267 HHRCDPAAIFYDLT-UHFFFAOYSA-N 288.397 3.870 30 20 CHED CC(C)(C#N)CNC(=O)c1cc2c(ccc3ccccc32)o1 1624964597 YMRLUUQACJVMPB-UHFFFAOYSA-N 292.338 3.866 30 20 CHED C#CCCCCC(=O)Nc1cccc(OCC(C)C)c1 119642356 JDCWHSLMCMMRKE-UHFFFAOYSA-N 273.376 3.854 30 20 CHED CC[C@H](Sc1ccnc(C#N)n1)c1ccccc1 1639614241 DAHMAZONTUJXIQ-LBPRGKRZSA-N 255.346 3.592 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1cscn1 1641218407 ZGOIOAFQASCFOJ-UHFFFAOYSA-N 264.737 3.556 30 20 CHED CCSc1ccccc1CN(CC)C[C@@H](C)C#N 1644453975 USBRHVKTXQVHGL-ZDUSSCGKSA-N 262.422 3.780 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(C#N)c1 121675976 GGCQESXPEJPIPS-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1CCc1ccc(C#N)cc1 1657320396 CTPVUBHVFDWZIP-OXQOHEQNSA-N 290.410 3.979 30 20 CHED N#Cc1nnc2ccccc2c1SCC1CCCC1 1651514704 GLRZNKNNNQSYLR-UHFFFAOYSA-N 269.373 3.784 30 20 CHED N#Cc1ccc(F)c(C(=O)N[C@@H]2CCCc3ccccc32)c1 1585816326 QUYUVXGHDYBOCC-QGZVFWFLSA-N 294.329 3.505 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc2cc(C(=O)O)oc2c1 1588736199 DWWHLANRXXDQNM-UHFFFAOYSA-N 288.299 3.639 30 20 CHED Cc1ccc(C)c(NC(=O)Nc2cc(C)c(C#N)cn2)c1 1663853781 UFKUCXNJPNMOLQ-UHFFFAOYSA-N 280.331 3.523 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccc(C(=O)O)c(O)c2)c1 1776133848 VTNBCDRAYCKULJ-SOFGYWHQSA-N 296.322 3.603 30 20 CHED Cc1scc(C=NNc2cccc(C(=O)O)c2C)c1C 1776088988 VKNRBGOGMGVFBS-UHFFFAOYSA-N 288.372 3.818 30 20 CHED CC(C)c1nc(CSCCCC(C)(C)C#N)no1 161751718 UIENXLRPXRGBTH-UHFFFAOYSA-N 267.398 3.756 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 162727868 LYUFSDOYMZXKNL-CQSZACIVSA-N 278.371 3.740 30 20 CHED C=CCC[C@H](NC(=O)N(CC)CC)c1ccccc1 158123733 HPOGLTFDWRUGBC-HNNXBMFYSA-N 260.381 3.745 30 20 CHED N#Cc1csc(CNc2cccc(-c3ncco3)c2)c1 160378312 ZPKPVWGUSKVMTG-UHFFFAOYSA-N 281.340 3.887 30 20 CHED C[C@@H]1CCCCN1C(=O)N[C@H](CCC#N)c1ccccc1 151327867 BGJXPUIANJJVJR-GDBMZVCRSA-N 285.391 3.615 30 20 CHED CCN(C(=O)C[C@@H]1CC[C@H](C)C1)c1ccc(C#N)cc1 152003734 PMLJQGBVCSTUDE-DZGCQCFKSA-N 270.376 3.737 30 20 CHED CCCOc1cccc(CC(=O)Nc2ccc(C#N)cc2)c1 152992454 AQAQHAPVMUXBDG-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C=C(Cl)COC(=O)c1cc(Cl)ccc1Cl 916609517 QJGHSOFRLJNPKE-UHFFFAOYSA-N 265.523 3.903 30 20 CHED COc1cc(C#N)ccc1NCc1ccc(F)cc1C 127982635 QFYHDINCYBGSHT-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#CCCCc1nc(-c2ccc3ccccc3c2)no1 236186401 GQGYPLQTHYWCSI-UHFFFAOYSA-N 263.300 3.736 30 20 CHED N#Cc1cccc(OCCOc2cccc(Cl)c2F)c1 167127027 HVPXBBRZQQLTDN-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C[C@H]1CC[C@H](C)N1Cc1ccc(Br)cc1C#N 347041894 ZSQSSLRKGLCDSB-QWRGUYRKSA-N 293.208 3.694 30 20 CHED CCCCCCCNc1ccc(CC(=O)N(C)C)cc1 59456698 MBCVQPCNAKKKRY-UHFFFAOYSA-N 276.424 3.700 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 316234365 PKKOWZYHMUQJDZ-SOUVJXGZSA-N 276.424 3.649 30 20 CHED C[C@@H](Cc1cccs1)N(C)C(=O)C1(C#N)CCCCC1 93290749 CSPZZBQWERDIMK-ZDUSSCGKSA-N 290.432 3.612 30 20 CHED CCCCCCCCCCCC(=O)N1C[C@H](C)[C@H](O)C1 387784735 JIIXOZYVQALFOK-JKSUJKDBSA-N 283.456 3.747 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1cccc(F)c1 791566679 CONWDZUYVSAXTB-LJQANCHMSA-N 299.389 3.937 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)[C@H](C)c2ccccc2)CC1 174900688 AASZQCMCMNZSIM-LSDHHAIUSA-N 286.419 3.786 30 20 CHED CC[C@@H](CC(=O)Nc1cc(C#N)ccc1C)C(C)C 104340946 KXQCQOWMHHFCBB-AWEZNQCLSA-N 258.365 3.878 30 20 CHED CCCCCCCCOC(=O)c1ccnc(F)c1 110070976 VQMIBQIYPCZJSA-UHFFFAOYSA-N 253.317 3.738 30 20 CHED N#Cc1ccc(Sc2ccccc2F)c([N+](=O)[O-])c1 20667852 STJNUCCLLNQTPK-UHFFFAOYSA-N 274.276 3.757 30 20 CHED CC[C@H](CC#N)NCc1cc(Cl)cc(Cl)c1 54183894 GZZYTRHCMZBWAS-GFCCVEGCSA-N 257.164 3.775 30 20 CHED C#Cc1cccc(N(CC)Cc2cccc(NC(C)=O)c2)c1 103145645 YSRDSWGZFJJZBY-UHFFFAOYSA-N 292.382 3.653 30 20 CHED CCSCC[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 173868407 LHNNWYIQMKVPSI-UONOGXRCSA-N 292.448 3.599 30 20 CHED CCCN(CC#N)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 108785121 TUBUEIUAWQEGKQ-QZTJIDSGSA-N 292.382 3.705 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cccc(F)c2F)c1C 107417700 ALLBUMPHIUTVBF-CMDGGOBGSA-N 290.313 3.694 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(C2SCCS2)cc1 116854779 KDBRBBGGUWBGGM-NSHDSACASA-N 293.457 3.860 30 20 CHED CCC(CC)CN(CCC#N)Cc1nc2ccccc2[nH]1 119178930 WKNSQOOBVURUEK-UHFFFAOYSA-N 284.407 3.715 30 20 CHED N#CC1(COC(=O)C(F)(F)c2ccc(Cl)cc2)CCC1 1348023752 LSIUTBZGSKTBRJ-UHFFFAOYSA-N 299.704 3.669 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2cccc(F)n2)c(C(C)C)n1 1344048238 BGMMCWYEQQCTLN-ZDUSSCGKSA-N 297.333 3.538 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc(Br)ccc1O 134932327 GRDSOOCQZJETLL-QMMMGPOBSA-N 290.588 3.558 30 20 CHED C=CCCCC(=O)Nc1cccc(N(C)C(C)C)c1 175613255 KKEITDGANTVHMB-UHFFFAOYSA-N 260.381 3.826 30 20 CHED COc1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1[N+](=O)[O-] 301461582 UPOGCTZIGOPQFY-NSHDSACASA-N 297.314 3.648 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)C1CCCCCC1 110841774 RSLGYVSGGFWRTN-LJQANCHMSA-N 298.430 3.988 30 20 CHED CCc1ccc(CCC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1 303602817 AJXYOHUNTWVLRX-DNVCBOLYSA-N 298.430 3.770 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)s1 176957946 XUWVIQACAZWQRM-IAGOWNOFSA-N 298.411 3.630 30 20 CHED Cc1csc(CCCNc2ccc(C#N)cc2F)n1 301206045 ZETSRWCNCAJBIQ-UHFFFAOYSA-N 275.352 3.507 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](OC)c2ccccc2)c1 65749368 WDAFYSAZNZUTRP-KRWDZBQOSA-N 297.354 3.578 30 20 CHED N#Cc1cccc(OCCCOc2ccc(F)cc2F)c1 34674918 YDZNTLOWQZVPHA-UHFFFAOYSA-N 289.281 3.684 30 20 CHED Cc1cccnc1CNc1cc(C#N)ccc1C(F)(F)F 127940943 VMTUZHRNPZVPPS-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCC1(C(=O)NCc2ccc(C#N)cc2)CCCCC1 185640854 BODVGEYGWCAFHW-UHFFFAOYSA-N 270.376 3.535 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1\CCc2ccccc2C1=O 127357875 KPAYJGRCDSSFCI-JLHYYAGUSA-N 280.371 3.920 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)Sc2ccccc21 182806090 PJHRXLQFRSEFQY-ZDUSSCGKSA-N 273.401 3.707 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccnc(Cl)c1 216510705 VRTOBRAPDMEXPD-UHFFFAOYSA-N 286.806 3.966 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@H]1C=CCCC1 187871550 HPLPRPFYANZONG-HNNXBMFYSA-N 285.387 3.614 30 20 CHED CC[C@H](CN(CC)C(=O)c1c[nH]c(C#N)c1)c1ccccc1 185144553 JLGPXWZDQWENAY-CQSZACIVSA-N 295.386 3.542 30 20 CHED Cc1ccccc1-n1c(C)nnc1S[C@H](C)CCC#N 188203116 UOVXKWXXXVGZRU-GFCCVEGCSA-N 286.404 3.669 30 20 CHED CCCC(C)(C)NC(=O)Nc1ccccc1O[C@H](C)C#N 180053839 CGIHLSJLMMSARQ-GFCCVEGCSA-N 289.379 3.678 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 180287200 AELBJRJGJAYPES-WMLDXEAASA-N 287.378 3.929 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1C(C)C 120234182 ZYXJCQLJVMGGNE-MRXNPFEDSA-N 285.391 3.909 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1cc(C)oc1C 216314329 VFGDTCUDXNTULA-UHFFFAOYSA-N 286.327 3.853 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 189653132 OTPFHINWSVHYPL-MEDUHNTESA-N 298.329 3.798 30 20 CHED C=CCC(CC=C)C(=O)N(CC)Cc1occc1C 412786399 AECFPTQHFSWFIL-UHFFFAOYSA-N 261.365 3.705 30 20 CHED CCC[C@H](C)[C@H]1CCCN1CCCC1(C#N)CCOCC1 410413474 LECGYZVPVSPTKH-DLBZAZTESA-N 292.467 3.988 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cccc(CC#N)c2)C12CCCC2 313409777 MHRNNGMNBXLRNM-IAGOWNOFSA-N 284.403 3.902 30 20 CHED CC(C)CC[C@@H](C)NC(=O)c1cc(C#N)ccc1Cl 505952912 DZFMXVWSQHBRIT-LLVKDONJSA-N 278.783 3.766 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(OC)cc1C 414151215 PVCXBTZJBYAPEH-RKVPGOIHSA-N 289.419 3.635 30 20 CHED CC[C@H]1[C@@H](C)CCN1C(=O)N[C@@H](CCC#N)c1ccccc1 184978791 RVKFRBXPKQETMZ-XIRDDKMYSA-N 299.418 3.861 30 20 CHED C=C(C)COc1cccc(NCc2cc(OC)ccc2O)c1 181033795 IPTCBQJOQBCRJF-UHFFFAOYSA-N 299.370 3.968 30 20 CHED N#CC1(C(=O)Nc2cccc(N3CCCCCC3)c2)CCC1 76372782 BYOUNQIVNZPHJR-UHFFFAOYSA-N 297.402 3.699 30 20 CHED CC#CCCCC(=O)Nc1ccc(SC(F)F)nc1 185902471 IYQSXEOAAHFRNH-UHFFFAOYSA-N 284.331 3.528 30 20 CHED CC(C)(CC#N)CNc1ccnc2cc(F)ccc12 413408482 NBUNKFDFPSBKOR-UHFFFAOYSA-N 257.312 3.726 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(Br)cc1F 153389060 QJPDRASRONHWMZ-VIFPVBQESA-N 272.161 3.815 30 20 CHED N#CCSCCCN[C@@H](c1ccc(F)cc1)C1CCC1 72515956 VANRSRJKWMVFGN-MRXNPFEDSA-N 292.423 3.903 30 20 CHED C=CCCCC(=O)Nc1nc(-c2cccs2)ns1 182126642 CYMMKGZLDMBUOD-UHFFFAOYSA-N 279.390 3.561 30 20 CHED Cc1ccc(Oc2c(C#N)nnc3ccccc23)cc1C 77165119 GMIXRUUHTQOLMM-UHFFFAOYSA-N 275.311 3.911 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(CSCC)cc1 410830611 WAAYTNGAZHFYLB-HNNXBMFYSA-N 290.432 3.704 30 20 CHED Cc1ccc([C@@H](O)C/N=C/c2cc(Cl)ccc2O)cc1 32070561 ACRPRCUYRVUTLY-ZJTXRKTBSA-N 289.762 3.507 30 20 CHED CC[C@@H](CC#N)NC(=O)c1sc(C)nc1-c1ccccc1 183920901 DNYNJEMSORYOBN-ZDUSSCGKSA-N 299.399 3.541 30 20 CHED N#Cc1ccc(Oc2c(C#N)cccc2C#N)c(Cl)c1 188552197 IGNCSIUVCCZJFW-UHFFFAOYSA-N 279.686 3.747 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC)c1cc(F)ccc1F 183054595 LXTDWSMBTOFHAC-AWEZNQCLSA-N 282.334 3.633 30 20 CHED CC[C@H](C)N(C(=O)Cc1ccc(C#N)cc1)[C@H](C)CC 184952261 WAENNFDHAMALHK-OKILXGFUSA-N 272.392 3.526 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2SCCC#N)cn1 78568482 PAVMDHDGJQVLBF-UHFFFAOYSA-N 297.383 3.648 30 20 CHED C=CCCC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 185469448 IDGWVJXSCSSUKY-HNNXBMFYSA-N 271.404 3.969 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1cc(F)ccc1Cl 78549398 JTJTWSRHQJMHSB-UHFFFAOYSA-N 295.745 3.637 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416071746 XWCKWUIVRXGGFH-AWEZNQCLSA-N 287.403 3.724 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](CC)CSC 181089861 LQGDELZVULNGGA-CHWSQXEVSA-N 272.458 3.514 30 20 CHED C=CCN(CC=C)C(=O)Cc1ccc(SCC)cc1 502328176 UPJQTGSZKAFVBC-UHFFFAOYSA-N 275.417 3.542 30 20 CHED C=CCN(C)Cc1coc(-c2ccc(Cl)cc2)n1 494657240 SFUDTZXICVMFQX-UHFFFAOYSA-N 262.740 3.613 30 20 CHED CCCc1cnc(NCc2cccc(C#N)c2)s1 185977610 APLLBHKMKLBBFW-UHFFFAOYSA-N 257.362 3.579 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(CC)s2)c1 171324999 ZUPKOVBTGSORDI-UHFFFAOYSA-N 269.369 3.568 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(C)=O)cn1 131250507 BYNRGODKQJEUKB-UHFFFAOYSA-N 262.353 3.583 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)CC 73055970 UPJRVRNYXIGJAL-UHFFFAOYSA-N 284.403 3.899 30 20 CHED C#CCOc1ccccc1NC(=O)c1coc2ccccc12 187240538 MDCDRXIGCOWZJX-UHFFFAOYSA-N 291.306 3.697 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1nc(-c2ccccc2)oc1C 410138744 URDCVEHVXLIRPQ-OAHLLOKOSA-N 298.386 3.663 30 20 CHED C[C@H](CC1CCCCC1)/C(O)=N/[C@H]1CCc2nc[nH]c2C1 328919709 BQIQYXWZRSKMOD-OCCSQVGLSA-N 289.423 3.830 30 20 CHED C#CCNc1cccc(Cl)c1SCC(F)F 381597541 MFEYMAODWAUBPY-UHFFFAOYSA-N 261.724 3.742 30 20 CHED N#Cc1c(F)cccc1NCc1c(F)cc(F)cc1F 338774807 UDIRUELHDVIQQZ-UHFFFAOYSA-N 280.224 3.727 30 20 CHED CSC(C)(C)CNc1ccc(C#N)cc1Br 135517015 SPDGSQHSCGVFNO-UHFFFAOYSA-N 299.237 3.874 30 20 CHED N#Cc1cnc2ccccc2c1NCC(C1CC1)C1CC1 88457795 DLYBBGAXFWYFHY-UHFFFAOYSA-N 277.371 3.955 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)CCc2ccco2)n1 80452673 LCUQIGMXTWUIDA-LBPRGKRZSA-N 288.372 3.669 30 20 CHED N#Cc1cc(F)ccc1NC(=O)Nc1cccc2[nH]ccc12 192276871 NWKAEMUTKHDVHV-UHFFFAOYSA-N 294.289 3.823 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)Cc1coc2c(C)c(C)ccc12 47534101 DXWNRCUZKCDETQ-LBPRGKRZSA-N 298.386 3.600 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 131648836 BWCTTZWRFLJUAK-MSOLQXFVSA-N 299.414 3.791 30 20 CHED N#Cc1cccc(CN2CCCc3ccccc3C2)c1F 223536346 CVDONSZBSHPPDX-UHFFFAOYSA-N 280.346 3.646 30 20 CHED C[C@H](/N=C/c1cc2ccccc2nc1O)c1ccccn1 192975603 BBYQADDIFHCMQZ-MKFNJMOCSA-N 277.327 3.516 30 20 CHED Cc1sc(N=C(O)[C@@H]2CCC(=O)[C@@H](C)C2)c(C#N)c1C 329349672 DCZWTXMHXSNYCP-GZMMTYOYSA-N 290.388 3.830 30 20 CHED C[C@@H](C(O)=Nc1cccc(C#N)c1)N1CCC[C@H](C2CC2)C1 329677640 WRHYOBDMXOLXNN-BBRMVZONSA-N 297.402 3.657 30 20 CHED C=CCC(CC=C)C(=O)NCc1nc(C(C)(C)C)cs1 131136468 MDVKVIKHTNTYQF-UHFFFAOYSA-N 292.448 3.825 30 20 CHED N#CC1(NC(=O)c2ccc3c(c2)CCC=C3)CCCCC1 329245497 QOHOLJGETMKWOJ-UHFFFAOYSA-N 280.371 3.602 30 20 CHED CN(Cc1ccc(C#N)s1)Cc1cccc2[nH]ccc12 426375721 GTAOYSWQNTXRLD-UHFFFAOYSA-N 281.384 3.733 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C#N)cc1 510310269 YQMPATZIYBGHFG-CYBMUJFWSA-N 285.391 3.991 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N1CCc2c(C#N)cccc21 421652010 OPIAUSTWAAJDHT-ZDUSSCGKSA-N 282.387 3.664 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cccnc2N2CCCC2)no1 516921320 IGFFZANRSJCJJJ-UHFFFAOYSA-N 298.390 3.586 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)CCc1ccc(C#N)cc1 510538952 LSOBXZAKATVJOV-MAUKXSAKSA-N 298.430 3.823 30 20 CHED Cc1c(C(=O)NCCC(C)C)sc2ccc(C#N)cc12 428012289 DDJIFQFJANFPKJ-UHFFFAOYSA-N 286.400 3.857 30 20 CHED Cc1cc(C)nc(NC(O)=Nc2cnn([C@@H](C)C3CC3)c2)c1 330060041 MALFNJRMKHOHQH-LBPRGKRZSA-N 299.378 3.524 30 20 CHED C=CCC[C@H](CC)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 429416559 IMZVALPYADAPLK-BZSNNMDCSA-N 291.410 3.626 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCc2ccccc2OC1 510936883 WIRRNMPPVDQQTO-JKSUJKDBSA-N 259.393 3.715 30 20 CHED Cc1ccc(-c2nc(CN(C)[C@@H](C)CC#N)cs2)cc1 177363092 VHDKYLNSMPLISM-ZDUSSCGKSA-N 285.416 3.853 30 20 CHED CCCN(CC#N)Cc1ccc2cc(OC)ccc2c1 92398085 PBCZRWHRNQMAGH-UHFFFAOYSA-N 268.360 3.584 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 425844358 LDNOELIRACEUBG-USXIJHARSA-N 299.418 3.717 30 20 CHED Cc1ccnc(C)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 335527725 JRCQLNGWNTUXLO-UHFFFAOYSA-N 293.370 3.752 30 20 CHED Cn1cc(/C=C/C(=O)c2ccccc2)c(-c2ccccc2)n1 92848574 LCLXWXLWGSYJCB-OUKQBFOZSA-N 288.350 3.983 30 20 CHED CCN(Cc1ccc(OCC(C)C)cc1)C[C@H](C)C#N 91982995 OUUFWJSGHISMLR-OAHLLOKOSA-N 274.408 3.703 30 20 CHED Cc1ncccc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430608519 DIARNDSOXVMEKH-LBPRGKRZSA-N 299.399 3.634 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)c1ccncc1F)c1ccccc1 338194981 MPUPYMSCBFLYFO-BBRMVZONSA-N 298.361 3.758 30 20 CHED N#Cc1csc(CN[C@@H]2C[C@H]2C2CCCCC2)c1 530640592 XFQYTIUOLCHMPO-LSDHHAIUSA-N 260.406 3.678 30 20 CHED C[C@H]1CCN(C(=O)CC#N)[C@H]1c1ccc(C(F)(F)F)cc1 335709125 TYVWDOLSRHUUFI-IINYFYTJSA-N 296.292 3.529 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CC1(C)C)c1ccccc1 337481260 VXHVRUSQJBLLNY-CABCVRRESA-N 257.377 3.856 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1ccc(F)c(Cl)c1 92199973 UBBOXWZNVKODSB-FNORWQNLSA-N 292.741 3.671 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(SC)c(F)c1 90451092 AYZAMCVGVNIJRG-LBPRGKRZSA-N 283.412 3.791 30 20 CHED C=CC1CCN([C@H](C)c2c(F)cccc2F)CC1 522083165 CSOKIIJWOVXKRK-LLVKDONJSA-N 251.320 3.924 30 20 CHED N#Cc1cscc1C(=O)Nc1ccc2ccoc2c1 349205383 ZWGWLVKREHWNAA-UHFFFAOYSA-N 268.297 3.618 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@@H]1CCc2ccccc21 432580254 NFOWJUXGGGCTNK-HNNXBMFYSA-N 286.419 3.618 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1 245422637 ACSIERODDKVACJ-CYDGBPFRSA-N 288.416 3.879 30 20 CHED C[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 522904675 UQIHVBVXQPZVHS-FHLIZLRMSA-N 296.414 3.528 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@H]1CCCc2ccccc21 602506481 XVJKPOVSTKTQET-QAPCUYQASA-N 298.430 3.753 30 20 CHED C=CCC1(CN[C@@H](C)CC2(C#N)CCOCC2)CCCC1 602681638 DGWYUSSDDWJPOA-INIZCTEOSA-N 290.451 3.811 30 20 CHED N#CCC1(CN[C@@H]2CCCc3c2[nH]c2ccccc32)CC1 344124543 XECHEKMPNRLJQZ-MRXNPFEDSA-N 279.387 3.829 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 255059804 HPYLAFDMAZCFLV-FWLQQBITSA-N 277.323 3.874 30 20 CHED C=CCOc1ccccc1CNc1snc(C)c1C#N 342206653 NQMTVTIWLGDQGD-UHFFFAOYSA-N 285.372 3.500 30 20 CHED C=CC1CCN(C(=O)c2ccc(C)c(Cl)c2F)CC1 345123759 BUJRQUFTJOUUMB-UHFFFAOYSA-N 281.758 3.826 30 20 CHED C=CCCSCCNC(=O)Nc1cscc1Cl 603167856 GYPPQIRAHBFZID-UHFFFAOYSA-N 290.841 3.832 30 20 CHED Cc1cc(N[C@H]2CC[C@@H](C#N)C2)c2cccnc2c1C 442830533 STOVSLUXAJZCTO-KGLIPLIRSA-N 265.360 3.956 30 20 CHED Cc1cccc(NCc2ccc(F)c(C#N)c2)c1F 182326421 ZISHUZNSWARDNM-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC(C)(C)c1ccc(CNCc2cccc(C#N)n2)cc1 602524649 OGRPPVKEGOJXMO-UHFFFAOYSA-N 279.387 3.541 30 20 CHED CCCN(CCc1cccs1)CC1(CC#N)CC1 602809549 ILIJZSVMAVDLTO-UHFFFAOYSA-N 262.422 3.696 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(Cl)o3)no2)cc1 350912483 WVRYNHCHUPICFD-UHFFFAOYSA-N 271.663 3.522 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3ccsc3)ccc21 255864171 DMGIDBWEHDUWLN-HYXAFXHYSA-N 269.369 3.637 30 20 CHED N#CCSCCCSc1ccc(Cl)cc1C#N 601912468 LLPWIEGOLHEXTO-UHFFFAOYSA-N 282.821 3.951 30 20 CHED CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 353262773 IXUYPCNYZJBNOG-RBUKOAKNSA-N 292.382 3.523 30 20 CHED CC[C@@H](CC#N)NCc1csc(-c2ccccc2)n1 358276777 KEDFBADYTUBUOH-ZDUSSCGKSA-N 271.389 3.592 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](c1ccc(C)o1)N1CCCC1 532490554 VMQWJRVNGOJTCA-XIRDDKMYSA-N 290.451 3.915 30 20 CHED C=CCCC1(C(=O)Nc2ccc3cc[nH]c3c2)CC1 357172896 SDXDORNEHUUNPL-UHFFFAOYSA-N 254.333 3.853 30 20 CHED C=CCN1CC[C@@H](Nc2cc(Cl)c(C)cc2Cl)C1=O 538610985 FLWUIDQGMRESHD-GFCCVEGCSA-N 299.201 3.501 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1nnn(-c2ccccc2)c1C 539510246 SIHNJWSNJUHKNT-GJZGRUSLSA-N 298.434 3.971 30 20 CHED C=C(C)Cn1c(C)nnc1N(Cc1cccs1)C(C)C 359109064 MGWKYKBJGFVARK-UHFFFAOYSA-N 290.436 3.639 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCCc2ccc(F)c(F)c2)C1 442846522 ZRRSZLZOFLBXLT-ZIAGYGMSSA-N 278.346 3.569 30 20 CHED C=CCC1(C(=O)NCc2ccccc2C)CCCC1 449088225 YCHUKRQHBWFLAX-UHFFFAOYSA-N 257.377 3.748 30 20 CHED C[C@@H](C#N)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 530579395 ITJUICNCWMMTJL-AWEZNQCLSA-N 298.430 3.682 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(Cl)c(C#N)n1 610280390 ODVRTBGPVWFOBN-HOCLYGCPSA-N 283.762 3.749 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 610352052 BBMPNEANACDDLJ-VBQJREDUSA-N 299.418 3.887 30 20 CHED C=CCCNC(=O)c1ccc(OCCCC)cc1Cl 617617582 MQOSEZPUYJXOLX-UHFFFAOYSA-N 281.783 3.825 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2nc(C)sc2c1 352540053 GQAKCRFRPQDTKN-UHFFFAOYSA-N 288.416 3.937 30 20 CHED C=CCCCC[C@H](C)NCc1cn2ccsc2n1 449103757 RWULWNCBXDTUST-LBPRGKRZSA-N 263.410 3.620 30 20 CHED C[C@H](NCc1cccc(OCCCC#N)c1)C(C)(F)F 449415235 ODOKJKJYXLQLRV-LBPRGKRZSA-N 282.334 3.502 30 20 CHED COc1ccccc1-c1ccc([C@@H](C)NCC#N)cc1 537156676 UCFPOPRXVNTHKR-CYBMUJFWSA-N 266.344 3.536 30 20 CHED COc1cc(N[C@@H](C#N)Cc2ccccc2)c(C)cc1C 619468442 SZZVFGAGWLFIJE-MRXNPFEDSA-N 280.371 3.859 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618848074 NKJKJSNHPHWJOH-VMGRFDJRSA-N 297.402 3.518 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(SC)cn2)no1 351243094 ANQKBHGISAMGJF-SNVBAGLBSA-N 291.376 3.507 30 20 CHED CCOc1ccccc1N(C)Cc1cc(F)ccc1C#N 535116662 KGSUTQRQXYXHRS-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 453417044 UJJCYWLRZUFDQF-JCURWCKSSA-N 290.382 3.696 30 20 CHED C=CC(C)(C)C(=O)N1CCC(CCCN(CC)CC)CC1 450527910 MWTXGVIQVOCTLT-UHFFFAOYSA-N 294.483 3.559 30 20 CHED CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(C#N)s1 610509578 GHKIEDCUBPKFTK-OAHLLOKOSA-N 297.383 3.596 30 20 CHED N#Cc1ccc(/C=C\c2sccc2Br)nc1 360522673 URSQEGAXBSZIRC-ARJAWSKDSA-N 291.173 3.948 30 20 CHED CCCCCCCCCC(=O)N1[C@H]2CCC[C@H]1CC(N)C2 366453887 CRMWEGJWGCYYNZ-IRXDYDNUSA-N 294.483 3.998 30 20 CHED C[C@@H](Cc1cccs1)N[C@H]1CCc2cc(C#N)ccc21 618806473 RDBIUDXDZWDXDE-SJCJKPOMSA-N 282.412 3.828 30 20 CHED C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)c(F)c1 453392022 UCVYXGGDXBDUKE-KPZWWZAWSA-N 280.346 3.720 30 20 CHED CC(C)(C)OCCCSCCOc1ccc(C#N)cc1 610703128 AXRCTBWDSTULSX-UHFFFAOYSA-N 293.432 3.875 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 452186340 XCKHCQRRXSBDLJ-LBPRGKRZSA-N 288.347 3.518 30 20 CHED C=C(CC)CNC(=O)[C@@H](Cc1ccccc1)C(C)C 456811939 LCIHYIYHMJGKAC-INIZCTEOSA-N 259.393 3.584 30 20 CHED N#CCc1ccc(CN2CC[C@H]2Cc2ccccc2)cc1 543208187 OAPMJCUWIBLGKJ-IBGZPJMESA-N 276.383 3.570 30 20 CHED CC(C)CCc1ccc(NC(=O)N[C@H](C)CC#N)cc1 547510169 XOXRGBDCZFHDCO-CYBMUJFWSA-N 273.380 3.699 30 20 CHED C=CCC[C@@H](NCc1cnc(OC)c(Cl)c1)C1CC1 453282384 DHRKAUXGJNABDA-CQSZACIVSA-N 280.799 3.578 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1cccc(OCC)c1 626370393 LTZISVVLWPSQIV-OAHLLOKOSA-N 289.419 3.879 30 20 CHED C=CCN(C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 544413668 IUCTTYMNUFVOTO-RYUDHWBXSA-N 275.314 3.532 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@H]1Cc1ccccc1 540488121 STHXTYMHCALAHP-USXIJHARSA-N 286.419 3.662 30 20 CHED CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccccc1O 274786598 QKFMLLGYNUONMW-KRWDZBQOSA-N 292.382 3.994 30 20 CHED C=CCC[C@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 547654633 NVVBUSNJHUEEFQ-SFHVURJKSA-N 296.414 3.889 30 20 CHED C=CCCC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 373110419 NQDONWOGAUWGDQ-CQSZACIVSA-N 284.359 3.848 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc(Cc2ccccc2)cs1 285934032 BDQLSMDAWBFGBD-INIZCTEOSA-N 299.399 3.612 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1c(C)cc(C)cc1C 467740390 MIPAXMRJCXGBCL-KRWDZBQOSA-N 259.393 3.830 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCC(C)(C)C1 466329156 YGLJQVPFSVEREA-QWHCGFSZSA-N 252.402 3.561 30 20 CHED C=CCC[C@H](NCC1(O)CCCCC1)c1ccco1 552252236 GKHGTYIGFGKRIA-AWEZNQCLSA-N 263.381 3.572 30 20 CHED C=CCC(CC=C)C(=O)N(C)C1CCC(F)(F)CC1 288270235 PVXUBSLNUWAMCU-UHFFFAOYSA-N 271.351 3.791 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 281124669 GVZGRCLXDKTMCP-UKRRQHHQSA-N 288.366 3.518 30 20 CHED CC(C)C[C@@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 281278447 RUMUHJZVPOTHJR-CYBMUJFWSA-N 272.392 3.652 30 20 CHED CC(C)[C@H](C#N)NC(=O)C1(c2cccs2)CCCCC1 464297411 SUSCSYCABSNJSQ-ZDUSSCGKSA-N 290.432 3.614 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CC[C@@H](F)C1)c1ccccc1 554031588 ISNRXZQTBNIHQC-OAGGEKHMSA-N 275.367 3.743 30 20 CHED CCC[C@@H](C#N)NC(=O)c1csc2cc(C)ccc12 558835223 BQLFLQQYPXRALV-NSHDSACASA-N 272.373 3.632 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)C1CCCC1 807990306 XHRSDOBBZUTFEG-UHFFFAOYSA-N 261.325 3.881 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc(CC(C)(C)C)cs1 552427819 UIIDTAJVQJHZOT-CQSZACIVSA-N 279.409 3.610 30 20 CHED CC(C)(CCC#N)CNc1cc(Cl)nc(C2CC2)n1 808093814 VMKHHDSCTISAMO-UHFFFAOYSA-N 278.787 3.749 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1cc2ccccc2o1 294446607 OOFHHTUWYWTCQC-LLVKDONJSA-N 257.333 3.822 30 20 CHED CC[C@@H](C)CN(C)Cc1ccc(C#N)cc1OC(F)F 551521372 AFIGYGUJXXTMDX-LLVKDONJSA-N 282.334 3.638 30 20 CHED C=CCCCCCCNC(=O)N1C[C@H](C)C[C@H]1C 806004410 HSSUOPQMXWOKIB-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED CCCCCOc1ccc([C@@H](C)NCCC#N)cc1OC 299704275 PIHZUKJUIOBJOL-CQSZACIVSA-N 290.407 3.828 30 20 CHED C[C@@H](C#N)OCCSc1nc2cc(Cl)ccc2o1 801653748 KWBUTGPDGJYALF-QMMMGPOBSA-N 282.752 3.502 30 20 CHED C=CCCCCCCNC(=O)c1cc(C(C)(C)C)nn1C 805220756 DZVPBUBVMWEENW-UHFFFAOYSA-N 291.439 3.584 30 20 CHED C=CCOCCCOc1cc(F)ccc1Br 475870524 MUDSKOHCTWDCQY-UHFFFAOYSA-N 289.144 3.560 30 20 CHED C=CCCCCCCNc1c(C(=O)O)cccc1[N+](=O)[O-] 386549785 DYCWSTNUMHWHQR-UHFFFAOYSA-N 292.335 3.841 30 20 CHED C[C@@H]1CC(=NNc2nc3ccccc3n2C)c2ccccc21 807963457 CCDLJPGURSIVFQ-GFCCVEGCSA-N 290.370 3.897 30 20 CHED CC(C)CCC(=NNc1nc(-c2ccncc2)no1)C1CC1 802711847 ZVSQGUFOKOPMHO-UHFFFAOYSA-N 299.378 3.746 30 20 CHED C#C[C@H](NC(=O)c1cc(-c2ccccc2)ns1)C(C)(C)C 807880140 RMGCOFRPJKLRFD-HNNXBMFYSA-N 298.411 3.588 30 20 CHED C#Cc1ccc(CN2CCc3c([nH]c4ccccc34)C2)cc1 809587964 TXHIYRJJUZPBGS-UHFFFAOYSA-N 286.378 3.708 30 20 CHED Cc1nocc1CSc1nc(C(F)(F)F)ccc1C#N 565727787 VQGHZPUDSLDFGR-UHFFFAOYSA-N 299.277 3.561 30 20 CHED C=CCC[C@H](O)CN1CC[C@@H](C)Sc2ccccc21 472753178 QBDVFAMWLYSGLO-KGLIPLIRSA-N 277.433 3.704 30 20 CHED COc1cccc(C=Nc2cccc(F)c2Cl)c1O 804597954 IBLQXLJGHHWDBO-UHFFFAOYSA-N 279.698 3.944 30 20 CHED C=C(Br)CN(C)[C@@H](CC)c1cccc(OC)c1 808762302 ZAPYEHOMFBYWOL-AWEZNQCLSA-N 298.224 3.987 30 20 CHED C#CCCCN[C@@H](C)Cc1ccc(F)cc1Br 808390939 FBGAILYWESJVET-NSHDSACASA-N 298.199 3.522 30 20 CHED C=CCCOCCN[C@@H](C)c1cc(Cl)cc(C)c1O 808708231 JUNGOXDZIKSTOG-LBPRGKRZSA-N 283.799 3.597 30 20 CHED C#Cc1ccc(CN2CCCC[C@H]2c2cccn2C)cc1 809591641 FLVFMHPDZIMDND-IBGZPJMESA-N 278.399 3.734 30 20 CHED C#CCO[C@@H](C)c1nc(C(C)(C)C2=CCCCC2)no1 296910027 PGHNWQPXCPHMEO-LBPRGKRZSA-N 274.364 3.558 30 20 CHED CC(C)[C@H](CN1CCC(C#N)CC1)c1ccccc1 474257160 GUQOQGBGHVGCBC-KRWDZBQOSA-N 256.393 3.662 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCCO[C@@H]1CC(C)C 477194541 SAHYCOKQFHGCNZ-HRCADAONSA-N 296.455 3.624 30 20 CHED C[C@@H]1CCC[C@H](CCSCCO[C@H](C)C#N)C1 802751218 GTYISFPOAAIMKK-MGPQQGTHSA-N 255.427 3.865 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 567926248 DPSVAKAHOFVPOC-DLBZAZTESA-N 269.388 3.736 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)CCC)c1ccc(Cl)cc1 811949705 LUYFKJINMQATAR-BXUZGUMPSA-N 263.768 3.567 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1c1ccccc1OC 815336514 CWCUVKLCWHUHCX-ZDUSSCGKSA-N 295.329 3.570 30 20 CHED Fc1ccc2c(c1)C(=NOC/C=C/Cl)CCC2 811672232 UFFCRJYDELJATD-DJELVZJCSA-N 253.704 3.635 30 20 CHED Cc1ccc([C@H]2CCN(c3cccc(C#N)n3)C2)c(C)c1 480563152 KIMUFZYXSAVHFQ-HNNXBMFYSA-N 277.371 3.564 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)[C@H]1CCCC[C@@H]1C 812967087 RXGNMLFEJPQXME-YJBOKZPZSA-N 283.415 3.638 30 20 CHED C[C@H]1CCC(=NNC[C@H]2CCSC2)c2ccccc21 811660909 BEZLDHJTVKDDSB-QWHCGFSZSA-N 274.433 3.631 30 20 CHED C=CCC(F)(F)C(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 816774829 DUKPHENABBKWNK-IPYPFGDCSA-N 293.357 3.991 30 20 CHED CSCc1cnc(C=NNc2cccc(F)c2)s1 814814814 AYUQDCYZFXFOEU-UHFFFAOYSA-N 281.381 3.591 30 20 CHED CC1(C)CCCC[C@H]1NN=C1CCCC[C@H]1CCCO 814917299 JSWKHGNEYLYCOI-GOEBONIOSA-N 280.456 3.864 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)C(C)(C)C 813211028 BZTIRTNRWFPFDD-KOLCDFICSA-N 298.308 3.959 30 20 CHED COc1ccc(C(=O)/C=C/c2ccccc2C)cc1O 811698523 LHYRTKZUWAJDBA-VQHVLOKHSA-N 268.312 3.605 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NN=Cc1cccnc1Cl)C2 814918896 HJXSOPXRXCNUNQ-ZENOOKHLSA-N 291.826 3.873 30 20 CHED C=CC[C@@H]1CCCC[C@H]1Nc1cnn(Cc2ccccn2)c1 657956070 OOHSNZHAANIKFD-CRAIPNDOSA-N 296.418 3.873 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccccc2F)CS1 814790683 WBXJEOQMMDCABD-ZDUSSCGKSA-N 252.358 3.755 30 20 CHED N#CC1(CN[C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 577146601 HHOSHHLDAWSCQJ-HOCLYGCPSA-N 288.822 3.945 30 20 CHED CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1CCC(C)(C)C1 480795458 MQTZISMAOYECIN-LLVKDONJSA-N 297.324 3.987 30 20 CHED CC(=NOC/C=C\Cl)c1c(F)cccc1Cl 811669645 GYOIHBNRQQFFFK-OKKVWRDMSA-N 262.111 3.972 30 20 CHED CC(=NNc1c(Cl)cc(F)cc1Cl)c1cc[nH]n1 814891447 VKARUWWZJHYIII-UHFFFAOYSA-N 287.125 3.692 30 20 CHED CCSCSc1nc2c(c(C)c1C#N)CCC2 814730914 IXYRPNVNHSMKCK-UHFFFAOYSA-N 264.419 3.553 30 20 CHED CCn1nc(C)c(/C=C2\Cc3cc(C)ccc3C2=O)c1C 727973975 CVXRZMNDLGOAJG-XNTDXEJSSA-N 280.371 3.651 30 20 CHED CC1=C(C)C[C@@H](C(=O)N2CCc3cc(C#N)ccc32)CC1 578751722 RWRCWSKZJAZCRX-INIZCTEOSA-N 280.371 3.584 30 20 CHED C=CCC1(C(=O)N2CCSC(CC)(CC)C2)CCC1 480409109 AIQNIFWHCVOLLS-UHFFFAOYSA-N 281.465 3.867 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)cc1OC 823707981 QZLWQXIUFNWPRN-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C[C@H]1CCC[C@@H](OC(=O)CSc2ccc(C#N)cc2)C1 728455493 SIRWARVJIFCPMC-GXTWGEPZSA-N 289.400 3.772 30 20 CHED CC#CCCNC(=O)Nc1cccc(-c2ccccc2)c1 495494996 KZKOOBKUJHUQEI-UHFFFAOYSA-N 278.355 3.889 30 20 CHED Cc1ccccc1[C@H](NC(=O)NCC(C)(C)C#N)C(C)C 496202342 DXAGNJMJHHWRAZ-OAHLLOKOSA-N 287.407 3.541 30 20 CHED CC[C@@H](C)OC(=O)c1ccc(COc2ccccc2C#N)o1 729078959 QBJGOMKCLXOXQB-GFCCVEGCSA-N 299.326 3.686 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1ccc(F)cc1C#N 577202747 KHFMFHCFOXVMFW-ATCWAGBWSA-N 260.356 3.612 30 20 CHED C#C[C@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)cc1 491278242 SDUYQPAEBPPWQD-KRWDZBQOSA-N 298.748 3.815 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 729074091 ABCMTKWSYGWYTP-SNVBAGLBSA-N 288.265 3.592 30 20 CHED C#CCCOc1ccc(CNCc2cc(C)cs2)cc1 824750435 JIJTYCYNTFTNAN-UHFFFAOYSA-N 285.412 3.748 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@H](CC2CC2)C1)c1ccccc1 584073630 IPTVUPCXPCNHJL-SJLPKXTDSA-N 283.415 3.995 30 20 CHED N#CC1(CN[C@H](CC2CC2)c2ccccc2)CCC1 828688067 RDYSDHWGLSPYFE-MRXNPFEDSA-N 254.377 3.811 30 20 CHED Cc1ccc(C[C@@H](C)/N=C/c2ccccc2O)s1 737441191 YSJONOZMUVWOFH-HPUUJOOBSA-N 259.374 3.812 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cncn2C(C)C)c1 901466831 BJYHMBFXPXQZPH-HJWRWDBZSA-N 284.359 3.759 30 20 CHED C=CCc1cc(CNC[C@H](C)C(C)(C)C)cc(OC)c1O 734508067 CMHNQZOBROZMQH-ZDUSSCGKSA-N 291.435 3.901 30 20 CHED CCC[C@@H](C)CC(=O)Nc1ccc(C#N)cc1Cl 494610515 BAQJOMOHIHVDRW-SNVBAGLBSA-N 264.756 3.976 30 20 CHED CC(C)(CNC(=O)c1cc(C#N)cs1)C1CCCCC1 498904761 UFKURXOJGQKYMJ-UHFFFAOYSA-N 290.432 3.956 30 20 CHED C[C@H](NN=C/C=C\c1ccc(F)c(F)c1)C(F)(F)F 834998381 TWBTZKHYOBUJTJ-JHMWOJTGSA-N 278.224 3.504 30 20 CHED C=CCC1(C(=O)OCc2noc(CCCC)n2)CCCC1 838279083 GYFLZFQKEJPISO-UHFFFAOYSA-N 292.379 3.592 30 20 CHED C=CCCNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 661572611 UGNNAZACILXFSX-ZDUSSCGKSA-N 266.772 3.666 30 20 CHED Cn1ncc(N[C@@H]2CCC[C@H](C#N)C2)c1-c1ccccc1 589190196 FPKQLLJXKPLSKX-DZGCQCFKSA-N 280.375 3.581 30 20 CHED CC(C)Oc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1 588524077 XPYQFQKCAXTPAB-OQFOIZHKSA-N 285.318 3.904 30 20 CHED C=CCOc1ccc(CNc2sccc2[N+](=O)[O-])cc1 588062441 FGCLMHRTIOJQJW-UHFFFAOYSA-N 290.344 3.833 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 586760610 CVPVMDYJAMPQOD-MJGOQNOKSA-N 298.430 3.716 30 20 CHED CC[C@@H](NC[C@@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 903009062 XOEWCRUNZIOCAS-SJLPKXTDSA-N 298.430 3.948 30 20 CHED C[C@H](OC(=O)[C@@H](C)C1CCC1)c1ccc(C#N)cc1 838389607 UCZHSFMYCRBNSK-RYUDHWBXSA-N 257.333 3.599 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccsc1C#N 903296547 KNJIMFYOONQMIN-UHFFFAOYSA-N 288.416 3.828 30 20 CHED Cc1ccc(F)cc1-c1noc(CCCCCC#N)n1 589088566 OPPKBTMESQNDQW-UHFFFAOYSA-N 273.311 3.811 30 20 CHED C=C(C)CNC(=S)N[C@@H](c1ccccc1C)C(C)C 732624647 TUQRASYASVAURX-OAHLLOKOSA-N 276.449 3.732 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(COC(C)(C)C)cc1 586795069 MFEZLECSTZQMEW-KRWDZBQOSA-N 288.391 3.880 30 20 CHED CCc1cccc2c1N(C(=O)CCCCCC#N)CC2 588902506 ZEDXCPGGZGWVIW-UHFFFAOYSA-N 270.376 3.612 30 20 CHED CCCC(=NNc1ccccn1)c1cccc([N+](=O)[O-])c1 916273427 CQUBBYCLOFVCJN-UHFFFAOYSA-N 284.319 3.606 30 20 CHED Cc1cc(NC(=O)C#CC(C)C)cc(C(F)(F)F)c1 834393585 UJZZVEATRIALFU-UHFFFAOYSA-N 269.266 3.612 30 20 CHED CC(C)(Cc1ccc(Cl)cc1)C(=O)OCC1(C#N)CC1 838417729 ZJXOQKIDILYUHG-UHFFFAOYSA-N 291.778 3.756 30 20 CHED CCCOc1ccc(C/N=C\c2cc(OC)ccc2O)cc1 915983246 UWTWWEBCSIBMCA-UYRXBGFRSA-N 299.370 3.809 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 590030434 RATFNPQVINWMKT-BZUAXINKSA-N 281.440 3.689 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 593682741 JRGYDAGHBDBHSI-CZUORRHYSA-N 284.403 3.756 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)c[nH]1)c1ccc(F)c(Cl)c1 748225858 SULOFADPNCQFDW-MRVPVSSYSA-N 292.697 3.597 30 20 CHED Cc1cc(C)c(/C=C\C(=O)OCC2(CC#N)CC2)cc1C 744277281 GMJXIMSBXNJZDM-PLNGDYQASA-N 283.371 3.862 30 20 CHED C=CCN(C(=O)Nc1cccc(OCCC)c1)C(C)C 916708079 IOLBODYTJDTEPS-UHFFFAOYSA-N 276.380 3.904 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@@H](c2cccc(F)c2)C1 595300087 MJSAFBDTBHLOPN-AEFFLSMTSA-N 280.346 3.880 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C(\C)CCC 741639858 QWZYCZPZJNXDOA-ZRDIBKRKSA-N 275.323 3.523 30 20 CHED CCc1ccc(C2CCN(CC3(C#N)CC3)CC2)cc1 599670510 XUFSRFOMAMXTIH-UHFFFAOYSA-N 268.404 3.732 30 20 CHED C/C(=C/C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 917978205 IMFVDXNOTBOONA-LCYFTJDESA-N 295.313 3.844 30 20 CHED CC[C@H](CC#N)NC(=O)CCC1CCCCCC1 594339737 AKAKRRGWSAVIKG-CQSZACIVSA-N 250.386 3.545 30 20 CHED CC[C@H](OC(=O)[C@H](C)Cc1ccc(C#N)cc1)C(F)(F)F 847721422 HHOYPEBIXGHQBJ-MFKMUULPSA-N 299.292 3.621 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H]1CCC1CCCCC1 593537774 KOLGUQPBMAZGQU-CVEARBPZSA-N 276.424 3.888 30 20 CHED Cc1ccccc1CC1CN(Cc2cccc(C#N)c2)C1 590967206 LFJKSKBQQURQLF-UHFFFAOYSA-N 276.383 3.541 30 20 CHED C=CCCOC(=O)c1cc2c(C)cc(C)nc2s1 740200849 OLJTXQAGZOPLDA-UHFFFAOYSA-N 261.346 3.646 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1ccc2c(c1)COC2 742437034 QGDPXRFNNBAZQB-QPJJXVBHSA-N 268.287 3.752 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 743620470 NJRXPPNOSAZPKX-IUODEOHRSA-N 292.810 3.574 30 20 CHED CCc1ccc([C@H](C)C(=O)Nc2cc(C#N)ccc2O)cc1 748411298 NMAYQQGSRXVINV-LBPRGKRZSA-N 294.354 3.568 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)[C@H](C)c1ccccc1 595056760 VYMCWFYGRHXBCO-HOTGVXAUSA-N 278.399 3.883 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 596435147 BBHOOJAXJOWCJY-ZDUSSCGKSA-N 285.391 3.663 30 20 CHED C=CCCCCCN(C)C(=O)CC1(CSC)CC1 593067284 IXXVXZNQINQOAZ-UHFFFAOYSA-N 269.454 3.725 30 20 CHED C[C@@H](CCc1ccco1)NC(=O)CC1(C#N)CCCCC1 596666456 VCOKTNHHYRGKPB-AWEZNQCLSA-N 288.391 3.581 30 20 CHED N#CC1(CN2CCC3(CCc4ccccc4C3)CC2)CC1 593037007 MTIIVUZBZPPYBR-UHFFFAOYSA-N 280.415 3.561 30 20 CHED CCOc1cccc(Cl)c1CN1CCC[C@@H](CC#N)C1 595623653 WHHMARLRUCMLQP-ZDUSSCGKSA-N 292.810 3.864 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(C#N)ccc2C)C1 596709817 WDJWGYDNDOVMLW-ZIAGYGMSSA-N 285.391 3.909 30 20 CHED C[C@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)c2nccn21 590723727 OLSIGKVJICXJTP-AAEUAGOBSA-N 295.390 3.565 30 20 CHED Cc1ccc([C@H](C)C(=O)N[C@H](CCC#N)c2ccccc2)o1 749034149 FYOFSCQLLRFBIK-GOEBONIOSA-N 296.370 3.853 30 20 CHED CO[C@@H](C=NNc1cccc(C(F)(F)F)n1)CC(C)C 841626696 VIZYHGCSSWUZBM-SNVBAGLBSA-N 289.301 3.559 30 20 CHED C[C@@H](NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1ccc(C#N)cc1 596742659 WKEOLUNNDRZAKT-ZSGPHXLJSA-N 296.414 3.952 30 20 CHED C=C(C)CCOC(=O)CCc1c[nH]c2cc(C)ccc12 745953915 NGDHXFZGPPQXAV-UHFFFAOYSA-N 271.360 3.918 30 20 CHED CO[C@H](C=NNc1ncnc(Cl)c1C(C)C)CC(C)C 841635444 BUFBGYPVCIDOBR-NSHDSACASA-N 298.818 3.712 30 20 CHED CC1(C#N)CCN(CCSc2ccc(F)cc2F)CC1 595423887 DOQYWHYBDABJJA-UHFFFAOYSA-N 296.386 3.683 30 20 CHED COc1ccc(-c2cccc3c2OCC3)cc1C1(C#N)CC1 844234192 YKIQOSBKODHOIB-UHFFFAOYSA-N 291.350 3.852 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)COc2c(F)cccc21 921266661 QCVHQLPTVWZVKM-FLIBITNWSA-N 272.250 3.624 30 20 CHED C#CCCc1noc([C@@H](C)Sc2ccc(F)cc2)n1 923883157 OLOVNCDJRGHNRC-SNVBAGLBSA-N 276.336 3.628 30 20 CHED O=C(C#Cc1ccccc1)N(CC1CC1)C1CCCCC1 747379913 LOTWAYZDUOANRS-UHFFFAOYSA-N 281.399 3.609 30 20 CHED CC[C@H]1CCCC[C@H]1C=NNc1ccc(CC(=O)O)cc1 848414645 PYSHWMPTNYLYCY-GJZGRUSLSA-N 288.391 3.928 30 20 CHED C=CCCN(C)Cc1ccc(OC)c(O[C@@H](C)CC)c1 682436701 UVDOVGPAGQKMER-AWEZNQCLSA-N 277.408 3.880 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCCc1ccccc1 682368498 UMFDMZAGUAIDLJ-KRWDZBQOSA-N 259.393 3.728 30 20 CHED N#C[C@H](OC(=O)c1csc(C2CCCCC2)n1)C1CC1 842314817 DOLHXIMMKZQYMA-ZDUSSCGKSA-N 290.388 3.650 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)OCc2cc(F)ccc2C#N)C1 759412421 BDJZWNODYXSKJT-VXGBXAGGSA-N 275.323 3.567 30 20 CHED C=CCCC(=O)Oc1cc(Br)ccc1Cl 755258644 HYJGYUFOGPKWQR-UHFFFAOYSA-N 289.556 3.974 30 20 CHED C=CCN(Cc1cc(C)ccn1)Cc1cccs1 683001089 FNIAKWLJGLWDDE-UHFFFAOYSA-N 258.390 3.640 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc(F)cc1F)C(C)C 753059599 YRWOZPDYGCYXJI-LLVKDONJSA-N 282.334 3.632 30 20 CHED C=CC(C)(C)CCOC(=O)/C=C\c1ccc(C)nc1 851300009 IUGBFYLIDNVOOK-HJWRWDBZSA-N 259.349 3.549 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccccc1[N+](=O)[O-])C2=O 921264113 OXYVKDOJOSNRQM-NTEUORMPSA-N 279.295 3.726 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1ccc(CC#N)cc1 854271479 IIQAKWGNPQCMFQ-HNNXBMFYSA-N 262.328 3.610 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1O2 925602230 SJDXNLBMLGJPQM-CZIOMAOESA-N 284.403 3.577 30 20 CHED CC(C)n1cc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)nn1 925600669 IGGHUDLWVASUGL-ZBFHGGJFSA-N 297.406 3.555 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2cc(F)cc(F)c2)c1 755705213 NSJNAWARWLXVIU-PLNGDYQASA-N 299.276 3.763 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 753414462 ZNXGSJICJUSSIH-YPMHNXCESA-N 296.370 3.752 30 20 CHED CCC(=NNc1cc(C)ccc1F)C1CCOCC1 759653611 SZXUGYZCOISRMW-UHFFFAOYSA-N 264.344 3.739 30 20 CHED C#CC[C@H](Nc1ccc(F)cc1C#N)c1ccccc1 756952893 FNINFGCQGBKWJF-INIZCTEOSA-N 264.303 3.874 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(F)cc2O)c1 759211109 YWOXPXMASZQGQS-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C#C[C@@H](CC)NC(=O)N(CC)C[C@@H](CC)c1ccccc1 753244096 WXUGXHARQWJPES-WBVHZDCISA-N 286.419 3.624 30 20 CHED C=C(C)[C@H](N[C@@H]1CC[C@@H](OC)C1)c1ccc(F)c(F)c1 851945287 AILRTJLWNVZNQG-IOASZLSFSA-N 281.346 3.739 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@H]1CCC(=O)C[C@H]1C 851143501 LVRWAQREWOQEEL-VDERGJSUSA-N 278.392 3.670 30 20 CHED C=CC[C@H](N[C@@H](C)c1nc(C)cs1)c1ccncc1 858365489 OIWUFFYSTQISKT-JSGCOSHPSA-N 273.405 3.815 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H](C)C2(CCC2)C1 935213188 VZPZPSUOAGFMND-AWEZNQCLSA-N 282.387 3.519 30 20 CHED Clc1c[nH]ccc1=NN=C1CCCCCCC1 756838010 GJTHRASQPFOVGA-UHFFFAOYSA-N 251.761 3.669 30 20 CHED C=C[C@H](CC)CC(=O)Nc1[nH]nc(-c2ccncc2)c1CC 931820644 SUENIEDFOBMALM-GFCCVEGCSA-N 298.390 3.575 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)OCC1(C#N)CCC1 768091617 MRGZGMUFOROXCR-LBPRGKRZSA-N 251.370 3.686 30 20 CHED C#CCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1 763799967 GIWGDPAXJANEFL-UHFFFAOYSA-N 299.370 3.792 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2cccc(C#N)c2)o1 767362047 LUIAIVZNCZXEBN-ABAIWWIYSA-N 265.316 3.721 30 20 CHED CCCCCCCNC(=O)c1ccccc1COC 862360545 POCVAQYPGMNHQI-UHFFFAOYSA-N 263.381 3.533 30 20 CHED Oc1ccccc1/C=N/C1CC(OCc2ccccc2)C1 766010408 STGRKAZMLUDFJA-XDHOZWIPSA-N 281.355 3.559 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 765016537 WAQNZMCXFRAUFV-IBGZPJMESA-N 293.414 3.865 30 20 CHED N#CC1(OC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)CCC1 762095128 PAXDLBNXBIIITL-SJORKVTESA-N 291.350 3.933 30 20 CHED C=C1CCN(C(=O)Nc2cccc3c2OC(C)(C)C3)CC1 864252709 FHMZDFVALXRFKS-UHFFFAOYSA-N 286.375 3.584 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccc([N+](=O)[O-])cc1 765993572 XQFJFZGJSUCWIU-JTQLQIEISA-N 261.325 3.819 30 20 CHED C#CC[C@H](NC(=O)[C@H](F)c1ccccc1)c1ccccc1 769452904 CILZKJWKVYTUHG-DLBZAZTESA-N 281.330 3.578 30 20 CHED Cc1cc(OC(=O)C2(C)CCCCC2)ccc1C#N 765094417 KOECMTSZOPSLHN-UHFFFAOYSA-N 257.333 3.743 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N=C2C[C@H](C)ON2)cc1 765371356 DKAMQZMEBWJLKS-STQMWFEESA-N 288.391 3.542 30 20 CHED C#CCCOC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1116926240 CDCLGHVXWNWGIS-UHFFFAOYSA-N 285.170 3.838 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc2ccncc12 1116938835 WAMCCIBDRRAJLS-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(Cl)cc1OC 879538120 QYXOUUWYXZBXPT-UHFFFAOYSA-N 267.756 3.889 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H]2C[C@H]3CC[C@H]2C3)c1 772983498 IYVJRNQVXVIMMY-OWIUFQIYSA-N 284.403 3.646 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C(/C)c1ccccc1 778984908 MYWHUIGZIDWBNL-NXVVXOECSA-N 295.382 3.940 30 20 CHED N#CC1(Cc2nnc(-c3ccccc3F)o2)CCCCC1 1118421096 TYDSQIVIKQPGRI-UHFFFAOYSA-N 285.322 3.892 30 20 CHED CC[C@H](CC#N)NCc1ccc2ccc(Cl)cc2n1 878700017 ZXSDINLUWHCQBU-CYBMUJFWSA-N 273.767 3.670 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@H](CCC#N)c1ccccc1 779990239 DPBCVHUNBCNRDH-OMACXJQVSA-N 270.376 3.894 30 20 CHED C#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC)cc1 877841927 BZAUDSCXWZMSHV-GOSISDBHSA-N 290.366 3.644 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccccc1F 777905277 CUSFJYSKQDQTRF-UHFFFAOYSA-N 263.703 3.710 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CC(=NOCC(F)(F)F)CC3 778545802 YGRVWQJUALHDGN-UHFFFAOYSA-N 296.292 3.900 30 20 CHED N#Cc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1F 770573849 VHIRFMBRBWLOOD-WDZFZDKYSA-N 281.261 3.659 30 20 CHED C#CCCCCC(=O)OCc1cc(Cl)nc(Cl)c1 773623596 GUMQIRNNQOKXCA-UHFFFAOYSA-N 286.158 3.625 30 20 CHED C=C[C@@H](COC)N[C@@H](CCC)c1ccc(Cl)cc1 1116643652 ROERLNAGRKPXPW-GJZGRUSLSA-N 267.800 3.972 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1nc(C)sc1C 777906610 YMSVBDNUOTXZAW-UHFFFAOYSA-N 280.784 3.644 30 20 CHED C[C@@H](Sc1ccccc1Cl)C(=O)OCC1(C#N)CC1 775849726 JPSJWLHLUHENNG-SNVBAGLBSA-N 295.791 3.668 30 20 CHED CCc1ccccc1NN=C(C)c1cnccc1C 771550387 HAXNUCDNXCNROX-UHFFFAOYSA-N 253.349 3.789 30 20 CHED N#Cc1ccc(C(=O)OCCCc2cccc(F)c2)s1 778816262 DXAKJQPUWZHHBG-UHFFFAOYSA-N 289.331 3.548 30 20 CHED CCC[C@H](C)C(CC)=NN[C@H](CO)c1ccccc1 788459245 DCHJUKVZNNQCBJ-XJKSGUPXSA-N 262.397 3.512 30 20 CHED C#CC[C@H](NC(=O)CCCc1ccsc1)c1ccccc1 783505186 FWEDYHLAQFQJBR-KRWDZBQOSA-N 297.423 3.952 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1cccc(CC)c1 787803046 HJTOREGJRBVMDG-KRWDZBQOSA-N 276.376 3.521 30 20 CHED N#CC[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccco1 1123462405 KJXYNFTVUZZZJU-YCPHGPKFSA-N 299.301 3.720 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccc(Cl)nc1 782346599 ARRLJAVCJMQOKW-SNAWJCMRSA-N 290.775 3.965 30 20 CHED N#Cc1cc(SC2CCCC2)c([N+](=O)[O-])s1 891438544 OUZAMRCBAXPAEK-UHFFFAOYSA-N 254.336 3.563 30 20 CHED N#Cc1ccc(F)c(NC(=O)CC2(C#N)CCCCC2)c1 891455076 XXMRYIZUIBKAEU-UHFFFAOYSA-N 285.322 3.500 30 20 CHED CC(=NNc1cccc(Cl)c1F)[C@]1(C)CCCO1 782215883 XESJBKJHCSJPQZ-ZDUSSCGKSA-N 270.735 3.836 30 20 CHED Fc1ccc(NN=Cc2cnc(-c3ccco3)s2)cc1 782112247 BLVUYAHDISQTIA-UHFFFAOYSA-N 287.319 3.988 30 20 CHED N#CCC1CCN(C(=O)NCC2CCCCCCC2)CC1 781797455 LIDXBSPDXODXIB-UHFFFAOYSA-N 291.439 3.682 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c(C)c1 83192892 QWTLHTSHWUQEOR-BJMVGYQFSA-N 296.322 3.598 30 20 CHED CC(=NNc1nc(-c2ccccc2)cs1)[C@H]1CCCO1 783815192 CDTIJXLFRWOEGK-CQSZACIVSA-N 287.388 3.777 30 20 CHED C=C1CC(c2noc([C@H](C)OCCC(C)C)n2)C1 896882101 QLIWABDIIAMPAD-NSHDSACASA-N 250.342 3.627 30 20 CHED C[C@H]1CCC(=NNc2nc(O)c3ccccc3n2)[C@@H](C)C1 783855413 MCVNKIGHYMQQIK-QWRGUYRKSA-N 284.363 3.559 30 20 CHED N#Cc1ccc(CCC(=O)NC2(C3CCCCC3)CC2)cc1 891282383 ZBFRYINKIAWLRI-UHFFFAOYSA-N 296.414 3.720 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1 794720040 PGIOQECPJOGQTC-YVMONPNESA-N 285.318 3.906 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccnc(F)c1 794858297 DQIGJTAAVNTCNX-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cc2c(cc1O)CCCC2 797586946 NZYANULOQNNIJF-CYBMUJFWSA-N 284.403 3.615 30 20 CHED CCC(=O)c1c(Cl)cccc1N1CCC[C@H](C#N)C1 895648724 GLAJJXARRDTIAK-LLVKDONJSA-N 276.767 3.673 30 20 CHED C=CCN(CC=C)Cc1ccc(Br)cc1F 302815444 UNGJOLSJLMNEOU-UHFFFAOYSA-N 284.172 3.762 30 20 CHED CCOc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1OCC 799720307 FGPZHYHAETTWAJ-CHWSQXEVSA-N 274.364 3.588 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](OC)C[C@@H]1C 799423992 DTSMZYHHTONHPO-LSDHHAIUSA-N 269.429 3.763 30 20 CHED CC[C@H](C)COC(=O)C[C@H](CC#N)c1ccccc1 795979979 AIUAQIQNTJIVIP-ZFWWWQNUSA-N 259.349 3.663 30 20 CHED Fc1ccc2c(c1)CCCC2=NNc1ncccc1F 794983709 DVHXDEHVGZABBE-UHFFFAOYSA-N 273.286 3.512 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1coc(C(C)C)n1 799478009 OUYCWYPVGBKSRR-UHFFFAOYSA-N 279.290 3.912 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)Cc2ccccc21 1205496888 XPGRLUAIZNFWIM-UHFFFAOYSA-N 294.373 3.991 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C[C@@H]1C[C@H]1c1ccccc1 790310682 KRKRYWBZXNDJSF-STQMWFEESA-N 299.305 3.935 30 20 CHED Cc1ccc(CCCNc2ccccc2O[C@H](C)C#N)cn1 793065306 JVVGBFPPWFQQQB-OAHLLOKOSA-N 295.386 3.726 30 20 CHED CCCC1CCC(N(C)CCCSCC#N)CC1 191425656 LAJRRPKFYCZDLF-UHFFFAOYSA-N 268.470 3.924 30 20 CHED CC(=NNCC1(C)CCCC1)c1coc(C(C)C)n1 793080654 CDOGCDCLJFCNED-UHFFFAOYSA-N 263.385 3.692 30 20 CHED COc1cc(F)ccc1NN=C1CCC[C@H]1c1ccccn1 794940687 YQBPKIRDSMHFSN-ZDUSSCGKSA-N 299.349 3.965 30 20 CHED COCC[C@@H]1CCCC1=NNCc1ccccc1Cl 799876620 VTFJGAHZRGPGRI-LBPRGKRZSA-N 280.799 3.622 30 20 CHED C/C(=C/Cl)CSCCCC1(C#N)CCOCC1 798372162 IRTGRFUDANMGIJ-XFXZXTDPSA-N 273.829 3.963 30 20 CHED CCCCCCCN(C)[C@H]1CCN(CC)[C@@H](C)C1 740882196 HIBAHMWRVYMRSW-HOTGVXAUSA-N 254.462 3.761 30 20 CHED CCCCCCCN1CCC(CCN(C)C)CC1 741796223 CQPOUXLCQQFKBY-UHFFFAOYSA-N 254.462 3.621 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(-c2csc(C)n2)c1 593387381 PQNVHYRHTRIKKJ-LLVKDONJSA-N 285.372 3.607 30 20 CHED CCCCCCCC(=O)N(CCC#N)CC(F)(F)F 746006483 ILPYSALXSPEETD-UHFFFAOYSA-N 278.318 3.651 30 20 CHED N#Cc1ccc(F)cc1CSc1nccn1C1CC1 689780620 DZHZZKAINVUPJD-UHFFFAOYSA-N 273.336 3.521 30 20 CHED C[C@@]1(Cc2ccccc2)CCCN1Cc1cccc(C#N)n1 1308661879 CUYZHLPXBFGPQP-IBGZPJMESA-N 291.398 3.550 30 20 CHED CC(C)(C)c1ccc(CCNc2ccnc(C#N)c2)cc1 1306930287 JQZLJEAQRJYUSL-UHFFFAOYSA-N 279.387 3.905 30 20 CHED C[C@@H](Cn1cc(C#N)c2ccccc2c1=O)C(C)(C)C 1307374925 ZSCXVQNYMKMSNW-LBPRGKRZSA-N 268.360 3.555 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3c(F)cccc3[nH]2)c1 1161670771 GYZGZKQBBJVJCQ-UHFFFAOYSA-N 293.301 3.739 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 245749111 XCVXPKKTUNEWOH-KLHDSHLOSA-N 276.424 3.601 30 20 CHED Cc1cc(C#N)nc(N[C@@H](CCC(C)C)C(C)(C)C)n1 1306968553 QDMGZYZAOAWBHC-AWEZNQCLSA-N 274.412 3.920 30 20 CHED C=CCOC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 1319879329 QHQDTCKNRDXGPE-UHFFFAOYSA-N 289.718 3.870 30 20 CHED C=CCn1cnnc1SCc1cc2ccccc2o1 1319320914 QUOLKGJKXMFUSF-UHFFFAOYSA-N 271.345 3.503 30 20 CHED CN(C)c1cccc(Cl)c1C=NNCc1ccccc1 1329987442 JVJLNETXLOIDLH-UHFFFAOYSA-N 287.794 3.530 30 20 CHED N#Cc1cccc(-c2nnc(C[C@H]3C[C@H]4CC[C@H]3C4)o2)c1 1322996936 MRRQTMGEMURDEU-CORIIIEPSA-N 279.343 3.587 30 20 CHED COc1cc(C#N)ccc1CN[C@@H](C)[C@@H]1CCC[C@H](C)C1 1171190094 POSHOJCCENRKCN-OFQRWUPVSA-N 286.419 3.871 30 20 CHED C=C[C@H](Cc1nnc(Cc2ccncc2)o1)c1ccccc1 1323026866 IAFGIJDWHKSAMV-OAHLLOKOSA-N 291.354 3.568 30 20 CHED Cc1cc(C)c(CCNc2cccc(CC#N)n2)c(C)c1 1320363742 IZWJGOKKLUTFGZ-UHFFFAOYSA-N 279.387 3.728 30 20 CHED CC(C)(C)CCCCC(=O)OCc1ccc(C#N)cn1 1325325778 GVZAYEKUSBDVIF-UHFFFAOYSA-N 274.364 3.603 30 20 CHED CCCCCCCCNC(=O)c1c2ccccc2nn1C 1255207525 MFBQLYBPHRLVGM-UHFFFAOYSA-N 287.407 3.664 30 20 CHED C=CCCC(=O)Nc1ccccc1-c1noc(C2CC2)n1 1337833354 IXHDDDVDIGXUQM-UHFFFAOYSA-N 283.331 3.519 30 20 CHED CCCCCCCC(=O)Nc1cn(C)nc1C(F)F 1339303111 NUGBHFKNMZOAOF-UHFFFAOYSA-N 273.327 3.657 30 20 CHED CN(C)c1cc(CSCCCC(C)(C)C#N)ccn1 1338057674 RZSNUHFZDNIFCW-UHFFFAOYSA-N 277.437 3.711 30 20 CHED C=CCCOCCCCC(=O)NC1(C2CCCCC2)CC1 1342710317 WXOMVAMJUGRKJK-UHFFFAOYSA-N 293.451 3.979 30 20 CHED CCN(CC)C(=S)S[C@H](C#N)c1ccccc1 1346787206 OMRJFZGMZHIVKN-GFCCVEGCSA-N 264.419 3.611 30 20 CHED C=CCN(C(=O)c1cc2ccccc2nc1Cl)C1CC1 1521300851 CJTLHOFPKULNCR-UHFFFAOYSA-N 286.762 3.679 30 20 CHED C[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccsc1 1531984878 LBEFFHWDBNWHTB-SECBINFHSA-N 274.320 3.501 30 20 CHED CCc1ccc(F)cc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1528080332 HZOPHNGONQUMID-BXUZGUMPSA-N 275.323 3.627 30 20 CHED CCCC[C@H](Sc1ccc(C#N)cc1Cl)C(=O)O 1605249339 FQAFSBUCGHJDLO-LBPRGKRZSA-N 283.780 3.947 30 20 CHED CCC1(CC)[C@@H](Nc2cccc(CC#N)c2)C[C@H]1OC 1474529108 GLXAQACHLFUPME-JKSUJKDBSA-N 272.392 3.758 30 20 CHED N#Cc1ccccc1-c1ccc(CN2C[C@@H]3C[C@H]3C2)cc1 1473787420 KVCBVSPKATXKTK-ROUUACIJSA-N 274.367 3.677 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(Br)s1 1548692082 UYZWQWRTFMILEY-QMMMGPOBSA-N 288.210 3.654 30 20 CHED Cc1ccc(N=c2cc[nH]cc2C#N)cc1OCCC(C)C 1612017203 CYFVFMLSTHQETE-UHFFFAOYSA-N 295.386 3.852 30 20 CHED CCc1nc(C#N)cc(N[C@H]2c3ccccc3CC[C@H]2C)n1 1612186670 QDLAXPYWOOBFNW-KZULUSFZSA-N 292.386 3.646 30 20 CHED Cc1cc(C#N)cc(NCc2ncccc2C(F)(F)F)c1 1620968735 JCDLNZRVIKPRDD-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCOc1ccc(C[C@@H](C)CNc2ncccc2C#N)cc1 1559206895 RNQXYHHRVFMJIR-CQSZACIVSA-N 295.386 3.643 30 20 CHED Cc1cc(NCc2cccc(OCC(C)C)c2)ncc1C#N 1639333494 BLTHIWXSMZGDOE-UHFFFAOYSA-N 295.386 3.909 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)C1 1631122928 OZSFEOYWLQLAMV-BPQIPLTHSA-N 298.430 3.701 30 20 CHED Cc1nc(NCC2(c3cccc(F)c3)CCC2)ccc1C#N 1640381827 XNVNNOOXPDNFGA-UHFFFAOYSA-N 295.361 3.935 30 20 CHED Cc1cc(OCc2ccc(Cl)cc2C#N)ccc1C#N 1656508344 MPCXOWRNLTWNCF-UHFFFAOYSA-N 282.730 3.971 30 20 CHED C=CCCCC(=O)Nc1c(C)cc(Cl)cc1C(=O)O 1588782422 DVESGUIPYXVCRW-UHFFFAOYSA-N 281.739 3.641 30 20 CHED C=C(Cl)CNCc1cc(Cl)ccc1OCC 1655690696 PYHIBCZIHFDRGJ-UHFFFAOYSA-N 260.164 3.581 30 20 CHED CC1CCC(c2noc(-c3ccc(C#N)cc3)n2)CC1 230997709 FVQLGFWWZPEAIC-UHFFFAOYSA-N 267.332 3.902 30 20 CHED C=C1C[C@@H](C(=O)O)N(Cc2ccc(-c3ccsc3)cc2)C1 1776146467 VHICWHNELGEHGO-INIZCTEOSA-N 299.395 3.630 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC(C2CCC2)C2CCC2)c1 1678412860 DZPDHOORPNZRPT-UHFFFAOYSA-N 297.402 3.957 30 20 CHED Cc1scc(C=NNc2cccc(C(=O)O)c2)c1C 1776037400 GEFOKKPPGYJTLY-UHFFFAOYSA-N 274.345 3.509 30 20 CHED CC(=NNc1ccccc1C(=O)O)[C@@H]1CCCC[C@H]1C 1776030669 DRXTUGBMDGUMAQ-DGCLKSJQSA-N 274.364 3.999 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1cc(C(=O)O)cs1)C2 1777455647 ITSSHXRNPUSZPT-IZZDOVSWSA-N 284.336 3.577 30 20 CHED Cc1cccc2c1C/C(=C\c1cc(C(=O)O)ccc1F)C2=O 1777455957 QYEAJVQBFDVOGM-MDWZMJQESA-N 296.297 3.655 30 20 CHED N#Cc1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1 18061760 CGUHGKJLBOVTDT-UHFFFAOYSA-N 299.355 3.671 30 20 CHED Cc1nnc(-c2cccc(NCc3ccc(C#N)cc3)c2)o1 150995429 OAVWRKFARGFQCU-UHFFFAOYSA-N 290.326 3.529 30 20 CHED O=C(/C=C\c1ccsc1)c1ccc(F)c(F)c1 206083185 SHCLUYFXFUDBKE-RJRFIUFISA-N 250.269 3.922 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(OC(C)C)c(C)c1 152834248 XPVDSJMVTSECEU-CQSZACIVSA-N 291.391 3.702 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc(OC)c1 153288501 LOQVQHPAPOSUKV-UHFFFAOYSA-N 276.380 3.905 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 153290008 YHEYURJFSXROQW-UHFFFAOYSA-N 291.351 3.805 30 20 CHED Cc1ccc(OC(=O)c2c(F)cc(C#N)cc2F)c(C)c1 153568978 JRVWYIRVTQGISS-UHFFFAOYSA-N 287.265 3.673 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1Cc2ccccc21)c1ccccc1 155748575 BIXHEHQKAPACBX-QAPCUYQASA-N 291.394 3.802 30 20 CHED COc1ccc(C[C@H](C)CNCC(C)(C)CCC#N)cc1 157923300 UGRMYKYQSSPYOF-HNNXBMFYSA-N 288.435 3.793 30 20 CHED CSc1ccc(CNc2cccc(OCC#N)c2)s1 811488147 MCEAEYUGYNKZKO-UHFFFAOYSA-N 290.413 3.984 30 20 CHED CCCCCCCC(=O)Nc1ccc2c[nH]nc2c1 914834710 AOWJKFPUCGNLEF-UHFFFAOYSA-N 259.353 3.862 30 20 CHED C=CCN(Cc1ncc(-c2ccccc2)o1)C(C)C 917069059 FRYRCVISCDQHBJ-UHFFFAOYSA-N 256.349 3.738 30 20 CHED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)C1CCC1 159991550 SFQIJNMJPUSDFD-QMMMGPOBSA-N 269.270 3.573 30 20 CHED CCCN(Cc1ccc(C#N)cc1C)CC(F)(F)F 165467826 JFSNWKKQQXUNJP-UHFFFAOYSA-N 270.298 3.641 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 174273684 SQCFBRNXCXICDK-NSHDSACASA-N 271.282 3.649 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccccc1C(F)(F)F 54178312 ILPFVMLAEIWGFU-SECBINFHSA-N 285.269 3.519 30 20 CHED C[C@@H](CC(=O)N(C)c1cccc(C#N)c1)CC(C)(C)C 59095748 OXLSHEQOVVQZLR-ZDUSSCGKSA-N 272.392 3.983 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1ccnc(C#N)c1 612463196 BTXZNSVWHQMSGD-XOKHGSTOSA-N 271.408 3.504 30 20 CHED C=CCCCN[C@H](CC)c1ccc(OC)c(OC)c1 336806535 ASKQOMYVOUTYAX-CQSZACIVSA-N 263.381 3.711 30 20 CHED N#Cc1cc(CN2CC[C@@H](C3CCCC3)C2)ccc1F 708820512 DWLNHYBPKFEKSP-OAHLLOKOSA-N 272.367 3.709 30 20 CHED CCCCCCC[C@H](C)NCc1cnn(CC)c1 688498286 ZHLFSIUMXQNUKO-AWEZNQCLSA-N 251.418 3.742 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C(C)(C)C1 380362541 DBCBDZFLOSRNTO-NSHDSACASA-N 262.784 3.832 30 20 CHED N#Cc1c(F)cccc1OCCCCC1CCOCC1 383556740 VJRGUPCBZACFPG-UHFFFAOYSA-N 277.339 3.673 30 20 CHED Cc1ccc(-c2ccsc2C(=O)O[C@@H](C)C#N)cc1 7804047 GHSIUWOOKZAXQX-NSHDSACASA-N 271.341 3.792 30 20 CHED Cc1nc2ccccc2cc1C(=O)Oc1ccc(C#N)cc1 10508847 MSJXZPSVJFIZAU-UHFFFAOYSA-N 288.306 3.634 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1cnn(C(C)C)c1 58465398 CXMBRLUXTKDKSK-MDZDMXLPSA-N 284.359 3.759 30 20 CHED Cc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2ccccn2)cc1 103329845 KGPSRAPMKWMXSI-HNNXBMFYSA-N 278.355 3.544 30 20 CHED C#CCCCN[C@@H]1CCc2c(F)ccc(Br)c21 179319332 WSYYXPIVXGDZQK-CYBMUJFWSA-N 296.183 3.579 30 20 CHED CC[C@@H](CC#N)NCc1ccc(CSC(F)F)o1 54183621 DASDTGOFZIYGBI-VIFPVBQESA-N 274.336 3.517 30 20 CHED C=CCN(Cc1noc(C(C)C)n1)Cc1ccccc1F 53641689 PFNSIZHYVVLKKB-UHFFFAOYSA-N 289.354 3.520 30 20 CHED Cc1cc(CO/N=C(\N)C2CCCC2)c2ccccc2n1 172381539 FLDSEXWXMZRBHL-UHFFFAOYSA-N 283.375 3.522 30 20 CHED CCc1ccsc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 116810924 RIKCJBYCGOTYSK-NHYWBVRUSA-N 276.405 3.513 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(c1)OCCO2 109305270 FXGLUZUJCAGFFJ-UHFFFAOYSA-N 277.364 3.757 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C1CCCC1)C1CC1 178557271 JHJYCSYWCYXMBA-UHFFFAOYSA-N 283.375 3.806 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H]2CCc3ccccc32)c1 115215137 LFWPVBYRGKGXON-QGZVFWFLSA-N 289.378 3.751 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC(C)(C)C)c1ccccc1 344296721 AAJFZKSBZYKRDT-WBVHZDCISA-N 275.436 3.938 30 20 CHED Cc1ccc(Nc2ccc(C#N)nn2)cc1OCCC(C)C 302000572 QEVPPRKTONTVSJ-UHFFFAOYSA-N 296.374 3.825 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccccc2OCC)c1 113535418 KTLICSARHJDCIL-UHFFFAOYSA-N 280.327 3.711 30 20 CHED CN(C(=O)C1C2CC3CC(C2)CC1C3)c1cccc(C#N)c1 63325731 PKUDUUVZRYWTKL-UHFFFAOYSA-N 294.398 3.593 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2sccc2C)c1 302102546 LWUAQVYRNBVHOU-UHFFFAOYSA-N 270.357 3.743 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc2[nH]ccc2c1 179776094 NOTBSXMBMILSRD-UHFFFAOYSA-N 270.376 3.525 30 20 CHED C[C@H](NC(=O)C(C)(C)c1ccccc1)c1ccc(C#N)cc1 26127301 JOWCDLVSTAXCAS-AWEZNQCLSA-N 292.382 3.713 30 20 CHED CC1CCC(=CC(=O)N[C@H](C#N)C2CCCCC2)CC1 176644016 FOVZZSQTDJGXDN-FQNRMIAFSA-N 274.408 3.712 30 20 CHED C=CCS[C@H](C)C(=O)Nc1ccc(Cl)cc1 114757305 FDSNVKINWUPWEW-SECBINFHSA-N 255.770 3.586 30 20 CHED C#CCOc1ccc(C(=O)N(C)CCC2CCCCC2)cc1 303925815 OYAYUYKHCYZABZ-UHFFFAOYSA-N 299.414 3.741 30 20 CHED CC(C)(C)CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 114619702 KESQIEKLJSDQCM-GFCCVEGCSA-N 299.399 3.818 30 20 CHED Cc1cccc([C@H]2CCCN2c2cccc(C#N)n2)c1C 301846730 MVZIZFYASCAKKF-QGZVFWFLSA-N 277.371 3.912 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc3ncsc3c2)c1 171197532 ILUJONWSOYXCRN-UHFFFAOYSA-N 292.363 3.554 30 20 CHED Cc1c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)oc2c(F)cccc12 1342575318 OMYNXCSXYHUSPB-GHMZBOCLSA-N 287.290 3.729 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1oc2ccccc2c1C 1263796140 NNLZFTGXWAWNAG-GFCCVEGCSA-N 257.333 3.885 30 20 CHED CCCC(C#N)(CCC)NC(=O)CO[C@H]1CCCC[C@H]1C 121723148 BQEGYVIBXRMTMS-CABCVRRESA-N 294.439 3.560 30 20 CHED N#Cc1cccc(COc2c(F)c(F)c(F)c(F)c2F)c1 36302063 HMKGOQJJEHWSBU-UHFFFAOYSA-N 299.198 3.833 30 20 CHED C=CCn1c(S[C@@H](C#N)CC)nnc1-c1ccc(C)cc1 127831759 AAIYOCNGXNMEFG-CQSZACIVSA-N 298.415 3.834 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2c(C)cccc21 181121619 BBYVNBFSDWRPOU-CQSZACIVSA-N 272.392 3.812 30 20 CHED CN(Cc1ccccn1)c1cc(C#N)ccc1C(F)(F)F 122103196 FHPSWASVZHHMMF-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CCSc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 188407057 VJNQISVKQIOVPM-UHFFFAOYSA-N 298.367 3.628 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCS[C@H](C(C)C)C1 181426562 NERPZDFLEVOSGN-KBPBESRZSA-N 284.469 3.514 30 20 CHED Cn1c(C2CC2)nc2cc(N[C@@H]3CCC[C@H](C#N)C3)ccc21 185890481 ITAXZFDXRRFQLL-GXTWGEPZSA-N 294.402 3.945 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)c1ccc(C)cc1C 125253841 RZPIJQXQDSAGLC-OAHLLOKOSA-N 275.392 3.638 30 20 CHED COc1cc(C#N)ccc1CNc1cccc(C)c1F 182324805 CMMDRNYDZZIUDE-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H]2CCCC[C@H]21 183834436 YGMDZSUVXPKWST-FVQBIDKESA-N 261.409 3.792 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1 78023069 QWGFSGGJSVAHCO-VMPITWQZSA-N 271.291 3.516 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1oc(C)cc1C 412841262 OSBXJVWGPWLORD-INIZCTEOSA-N 283.371 3.814 30 20 CHED CC#CCCCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 185444074 RUVNMBAPVZFHIL-GOSISDBHSA-N 281.399 3.859 30 20 CHED C[C@@H](CNc1c(C#N)nnc2ccccc12)c1ccccc1 77187447 UJZCLAXKVLWQHD-ZDUSSCGKSA-N 288.354 3.717 30 20 CHED C=CCOC(=O)c1nc(-c2ccccc2)oc1C1CC1 128051621 HMFRIAAHNYXZIM-UHFFFAOYSA-N 269.300 3.562 30 20 CHED CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(C#N)cc1 129730309 GSKLDFWTHUVIFO-QGZVFWFLSA-N 284.403 3.989 30 20 CHED CC#CCCCC(=O)NC[C@H](c1ccccc1)C(C)C 185040507 ORKMDSZOBDTXCX-KRWDZBQOSA-N 271.404 3.736 30 20 CHED C=CCC[C@H](C(=O)NCC(C)(C)OCC)c1ccccc1 189672470 VUWOXGPCFUZGLE-INIZCTEOSA-N 289.419 3.668 30 20 CHED N#CC1(CCN2C[C@H](O)C[C@@H]2c2ccccc2)CCCCC1 411925841 OEWABVCOVKCASS-QZTJIDSGSA-N 298.430 3.658 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)[C@H]1C 416736197 OXFQROYDSRSSII-VWYCJHECSA-N 291.782 3.720 30 20 CHED C[C@@H](C#N)NC(=O)CCCCc1ccc(Cl)c(Cl)c1 121239718 PCXRVYZPEKONGJ-JTQLQIEISA-N 299.201 3.734 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ccc(C)cn1 414535700 LZIMXTFUFAMUMD-KRWDZBQOSA-N 266.388 3.667 30 20 CHED Cc1cc([C@@H]2CCCN2c2ccc(C#N)c(Cl)c2)no1 370240595 JMCNVCMDLMDZEZ-HNNXBMFYSA-N 287.750 3.850 30 20 CHED Cc1ccc([C@H](NCC(C)(C)CC#N)C2CCC2)o1 414161277 FCEAYYJSJUVADV-OAHLLOKOSA-N 260.381 3.959 30 20 CHED C#CCOc1ccccc1NC(=O)c1ccc(CC)s1 187215890 IPXLJLZNILZSNO-UHFFFAOYSA-N 285.368 3.575 30 20 CHED CC(C)C[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 127684828 CGMUNYDHJYMKAY-ZIAGYGMSSA-N 260.381 3.502 30 20 CHED COC(=O)[C@@H](CC(C)(C)C)Sc1cccc(C#N)c1 181019160 AZTIYSIPSNIIPZ-CYBMUJFWSA-N 277.389 3.628 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)Cc1cccc(F)c1 410126581 BLVVNNMHVBVDLJ-CZUORRHYSA-N 277.383 3.865 30 20 CHED N#Cc1ccc(Nc2nc([C@H]3CCCOC3)cs2)cc1 183880214 BBCSIOGLVCKBHE-LBPRGKRZSA-N 285.372 3.652 30 20 CHED C=C[C@@H](CC(=O)N(C)CC1CCC1)c1ccccc1 134248335 SXSLPFADSBZUMS-HNNXBMFYSA-N 257.377 3.605 30 20 CHED Cc1csc([C@@H](C)CN[C@@H](C)c2ccc(C#N)cc2)n1 186567073 ZQRGYMUHKFOYNU-AAEUAGOBSA-N 285.416 3.778 30 20 CHED C=CCN(Cc1ncc(C)s1)Cc1ccccc1F 180444031 ZLTBBHAWUOXRIV-UHFFFAOYSA-N 276.380 3.779 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C#N)C1CC1 183363684 BYCQMMAUBIAJOU-QGZVFWFLSA-N 292.338 3.516 30 20 CHED C=CCC[C@@H](C(=O)NCCCOC(C)C)c1ccccc1 188002327 YWBCKJAUDYQXJN-QGZVFWFLSA-N 289.419 3.668 30 20 CHED C=CCOCCSCc1cc(C(C)=O)ccc1OCC 419347148 PGXGLXJGOGEOAV-UHFFFAOYSA-N 294.416 3.724 30 20 CHED C=CCOc1cccc(NC(=O)C2(OC)CCCCC2)c1 185113269 ZANVKMQGZSFCAB-UHFFFAOYSA-N 289.375 3.539 30 20 CHED C=C(C)CN(CC)Cc1cccc(OC(C)(C)C)n1 508889840 NKTJVTAYOHHHQQ-UHFFFAOYSA-N 262.397 3.657 30 20 CHED C=CCCCCCn1ccnc1[C@H](O)c1ccccc1 195394464 LTMWZZVSSFEYPL-MRXNPFEDSA-N 270.376 3.711 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)c1ccccc1F 130452371 YNIOFAKRTAMCPY-UHFFFAOYSA-N 284.334 3.732 30 20 CHED Cc1ccc(C#N)cc1NCc1nc(-c2ccccc2)no1 195201148 VZTIBEQYMPGIBX-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=CCN(C(=O)Nc1cccc(Br)c1)C(C)C 916705003 LNBDEHGYQQALBX-UHFFFAOYSA-N 297.196 3.877 30 20 CHED CCC1(CNC(=O)Nc2ccc(CC#N)cc2)CCCC1 134544970 HYZUQZOVPQYWHA-UHFFFAOYSA-N 285.391 3.845 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc2c(c1)CNC2 423402763 WQHAWRRUGTZPDQ-QGZVFWFLSA-N 258.409 3.514 30 20 CHED CCCCCCCC(=O)N1CCn2cccc2[C@H]1C 192801764 YLMYQJUGCHEDGF-CQSZACIVSA-N 262.397 3.752 30 20 CHED Cc1ccccc1NC(=O)N(C)Cc1cccc(C#N)c1 43135017 YTRHMKJBLAASKU-UHFFFAOYSA-N 279.343 3.531 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(Cl)c(Cl)c1 134874726 IKAKQNNEWBUFGF-UHFFFAOYSA-N 279.554 3.867 30 20 CHED CCc1ccc([C@@H](C)C(=O)NCc2ccc(C#N)s2)cc1 421601944 QOXZFUNYAGTEAJ-GFCCVEGCSA-N 298.411 3.602 30 20 CHED C=CCC1(C(=O)NCc2ccc(Cl)cc2F)CCC1 190507385 YWDWQVVBZIEFMN-UHFFFAOYSA-N 281.758 3.842 30 20 CHED CCC[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccccc1 45223908 ZEHVBXJDGIUPKP-SFHVURJKSA-N 292.382 3.758 30 20 CHED O/C(=N/C[C@@H]1CCCS1)c1coc(C2CCCC2)n1 328733316 JOFDCMVEZFHKAL-NSHDSACASA-N 280.393 3.532 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1cc(Cl)cc(Cl)c1 48625431 KCSOGWUOMDUDFI-ARJAWSKDSA-N 295.169 3.931 30 20 CHED CSc1ccccc1N=C(O)[C@H]1CCCC(O)=N1 328779158 GQADJRBWGQLOSS-SNVBAGLBSA-N 264.350 3.506 30 20 CHED CC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1F 524758317 ZYXJMNGRVYAWLG-HNNXBMFYSA-N 260.356 3.708 30 20 CHED C=CCC[C@@H](NCc1noc2ccccc12)C1CC1 515311662 RKQVLQDHGASWLI-CQSZACIVSA-N 256.349 3.662 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)CC#N)c2ccccc12 334803933 LZFKKSKKSNKVIG-CYBMUJFWSA-N 266.344 3.522 30 20 CHED CC1(C#N)CCC(NCc2cc(F)ccc2F)CC1 336222040 FITCZXHMAJQLBC-UHFFFAOYSA-N 264.319 3.527 30 20 CHED N#CC1(CCn2cnc3c2CCCC3)CCCCC1 336282551 RVLXUKOSWHLWQH-UHFFFAOYSA-N 257.381 3.626 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc2cccnc12 334462153 QEDRBHGLTRSGCL-CQSZACIVSA-N 284.334 3.555 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(-c2cccnc2)cs1 424820777 MBZQKJOCEGJYHA-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CC(C)(C)C(=O)c1ccc(NC(=O)C2(C#N)CCC2)cc1 332440366 JSGXFKYWIGKBEC-UHFFFAOYSA-N 284.359 3.548 30 20 CHED Cc1cccc2c1CC(C)(C)N(Cc1ccc(C#N)cn1)C2 518393261 BPERIEQLJWPCEL-UHFFFAOYSA-N 291.398 3.599 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C)OCC 339354134 CVXZWWORPCFIJF-WMLDXEAASA-N 287.403 3.504 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 148793693 SXJGIYIDZZNOQN-GVDBMIGSSA-N 290.451 3.991 30 20 CHED CC(F)(F)c1ccccc1N[C@@H]1CC[C@@H](C#N)C1 336207535 XJUXWYKJBIWXJH-GHMZBOCLSA-N 250.292 3.902 30 20 CHED N#Cc1cccc(Sc2cccc(F)c2C#N)c1 143639239 UEKAKRZFAVXPPE-UHFFFAOYSA-N 254.289 3.720 30 20 CHED CO[C@H](CNc1cc(C#N)ccc1C(F)(F)F)C(C)C 337247043 OVIYJEDPPRBKTK-CYBMUJFWSA-N 286.297 3.660 30 20 CHED Cc1cc(C)cc(OCCNc2ccc(C#N)cc2)c1 511690086 ZAJFSEKAPWCWQC-UHFFFAOYSA-N 266.344 3.666 30 20 CHED Cc1cccc(C)c1OCCCN(C)CC(C)(C)C#N 433307144 UOBJCFPYOUKJRP-UHFFFAOYSA-N 274.408 3.554 30 20 CHED CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(SCC#N)c1 430696717 BZMPUKPGJVXNGS-OCCSQVGLSA-N 288.416 3.563 30 20 CHED C=CC[C@H](C)N[C@@H](C)Cc1ccc(Br)cc1 235073772 IMJHVYFEDGTPIH-RYUDHWBXSA-N 282.225 3.934 30 20 CHED CCCc1nsc(Oc2ccc(C#N)cc2Cl)n1 290937950 KEIGSNAQALFRQP-UHFFFAOYSA-N 279.752 3.808 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCn1nc(C#N)c2ccccc21 432464863 RAUKKWGVGKGDNY-DYVFJYSZSA-N 283.375 3.503 30 20 CHED CC(C)CCN(CCC#N)Cc1c[nH]nc1-c1ccccc1 93100823 KUWUMMPSYBURCX-UHFFFAOYSA-N 296.418 3.838 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)[C@H](C)CC 98121000 XJUICQOGEBWCFL-OLZOCXBDSA-N 280.437 3.880 30 20 CHED CCCCCCCC(=O)N(C)Cc1ccc2c(c1)OCO2 248247927 HSTJVWIGQDMHAF-UHFFFAOYSA-N 291.391 3.734 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 343170847 PVOIAFATDXCBSS-MRXNPFEDSA-N 297.333 3.970 30 20 CHED N#Cc1ccnc(SCCCCC2CCOCC2)c1 347747427 WPFHZNYCQKEFCM-UHFFFAOYSA-N 276.405 3.642 30 20 CHED C=CC[C@@H](C)NC(=O)c1coc(-c2ccccc2Cl)n1 345307750 MYVGDPJMLLVKDW-SNVBAGLBSA-N 290.750 3.689 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc2[nH]ccc12 342826454 UCGAFJGWIMJEKU-UHFFFAOYSA-N 286.375 3.869 30 20 CHED C/C=C\CSCc1ccc(C#N)cc1OC(F)F 439541861 ODLRXJHZDRIFDR-IHWYPQMZSA-N 269.316 3.969 30 20 CHED C=CC[C@H]1N(Cc2cnccc2OC)CCCC1(C)C 347127231 UOELUQOJDMHUNA-MRXNPFEDSA-N 274.408 3.657 30 20 CHED N#Cc1cccc(-c2cc(C(=O)Nc3ccsc3)on2)c1 345205673 KLZOJMVAXUSWGI-UHFFFAOYSA-N 295.323 3.527 30 20 CHED COC[C@@H](C)n1c(-c2ccc(C#N)cc2)nc2ccccc21 435713797 NCUJIQDABQNVIV-CYBMUJFWSA-N 291.354 3.782 30 20 CHED Cc1cc(OCc2cn3ccccc3c2C#N)ccc1C#N 434643771 DFBOVANJHRQCEG-UHFFFAOYSA-N 287.322 3.570 30 20 CHED CC1(C)CC[C@H]1NCCSCc1ccccc1C#N 342685854 DVVSDFBMKKCDOT-OAHLLOKOSA-N 274.433 3.570 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C(=O)O)c1ccccc1 520240259 PVUPLOGNWWEMEX-KRWDZBQOSA-N 287.403 3.881 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 524062356 MEZXMBYOQXZBEV-RRFJBIMHSA-N 278.440 3.847 30 20 CHED CC[C@H](CC#N)N[C@H]1CCc2cc(F)c(Cl)cc21 529540927 FDIGCDBXCHVSAU-YGRLFVJLSA-N 266.747 3.748 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C#N)cc2)cccc1[N+](=O)[O-] 255894170 WQYRQJNYASCHIL-KTKRTIGZSA-N 292.294 3.671 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(N(C)C)cc1 255319304 AQKLOEQDABPRSM-TWGQIWQCSA-N 255.317 3.550 30 20 CHED CC1=Nc2ccccc2C12CCN([C@@H]1CC[C@@H](C#N)C1)CC2 602867203 YPTHHWWTJSERON-HZPDHXFCSA-N 293.414 3.818 30 20 CHED C=CCN(C(=O)[C@@H]1Cc2ccccc21)c1ccccc1 607030081 LMEAYDIXXDZOAQ-QGZVFWFLSA-N 263.340 3.546 30 20 CHED N#Cc1ccc(/C=C\c2cc(F)c(F)cc2F)nc1 255034260 UCABKYDMGPDTCZ-RQOWECAXSA-N 260.218 3.541 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2coc3ccccc23)no1 347136021 NPLJBIBVJDCZMN-UHFFFAOYSA-N 291.266 3.923 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)/C=C\C1CCCCC1 255028776 NFRAECUURQJTPX-KHPPLWFESA-N 282.387 3.653 30 20 CHED CC(=O)c1ccc(C#N)c(NCCc2sccc2C)c1 347416299 RHIWMGBRPPXTSQ-UHFFFAOYSA-N 284.384 3.785 30 20 CHED C[C@H](OC(=O)/C=C\c1ccc(Cl)cc1)C(C)(C)C#N 255871222 IWQLQDGGDPVVDB-WDDYJBPVSA-N 277.751 3.835 30 20 CHED N#Cc1ccccc1S[C@@H]1CCO[C@H](c2ccncc2)C1 600524452 LPKFMZDNJICMKY-CVEARBPZSA-N 296.395 3.966 30 20 CHED C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CC#N 441064945 INKXQKCAJJOGAW-KXBFYZLASA-N 276.383 3.589 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)C1 531808196 TUNDOADJZBBGMV-HVEKOLDVSA-N 298.430 3.799 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccnc1-c1csc(C)c1 446425739 URCQYJXLGPADNQ-SNVBAGLBSA-N 287.388 3.815 30 20 CHED COc1cc(Br)cc(NC[C@@H](C)CCC#N)c1 602497050 RONIHMIIFJQMAS-JTQLQIEISA-N 297.196 3.809 30 20 CHED CCc1c(C)sc(NC(=O)C2(SC)CCC2)c1C#N 447341749 GXZYMNFOMLQQSA-UHFFFAOYSA-N 294.445 3.715 30 20 CHED C=CCN(CCC#N)C(=O)c1ccccc1C(C)(C)C 359447432 QVAYRSXCHGWSCK-UHFFFAOYSA-N 270.376 3.526 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(C2CC2)ccn1 358247061 CUXVAYPKGMPVRB-UHFFFAOYSA-N 294.354 3.776 30 20 CHED N#Cc1ccc(SCc2cccc(C#N)c2F)cc1 538147101 DREJNVDCOFSKQS-UHFFFAOYSA-N 268.316 3.861 30 20 CHED Cc1csc([C@@H](Nc2nccc(C)c2C#N)C2CC2)n1 612085795 QBDBBDMNXUWMFV-ZDUSSCGKSA-N 284.388 3.590 30 20 CHED CCN(Cc1ccoc1)Cc1ccc(Cl)cc1C#N 614166807 QPBHKOLIQGPURK-UHFFFAOYSA-N 274.751 3.827 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(c3ccccc3OC)CC2)C1 617786016 RZDLFTZFODNZKR-OAHLLOKOSA-N 299.414 3.542 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1(SC)CCC1 447350139 ZMUAKUMIMZUTAF-UHFFFAOYSA-N 289.444 3.529 30 20 CHED CC(C)[C@H](CN[C@H]1CC[C@H](C#N)C1)Cc1ccccc1 442863307 XICSHQZIYGRHOB-BZSNNMDCSA-N 270.420 3.783 30 20 CHED Cc1cncc(CSc2nc3c(c(C)c2C#N)CCC3)c1 442902823 TWOZBMLGKUAWBW-UHFFFAOYSA-N 295.411 3.746 30 20 CHED COC(=O)c1cccc(COc2ccc(C)cc2C)c1C#N 534426618 DZFVPDNFABSEGY-UHFFFAOYSA-N 295.338 3.541 30 20 CHED N#CCCCOc1cccc(CNCC2=CCCCC2)c1 449375872 JTBOWRSTCVDCPZ-UHFFFAOYSA-N 284.403 3.959 30 20 CHED C=CCCOCCN[C@@H](Cc1ccc(F)cc1)C(C)C 536836851 CVKWSRCLJHLZII-KRWDZBQOSA-N 279.399 3.575 30 20 CHED CN(CCc1cccs1)C(=O)Nc1cccc(CC#N)c1 455921383 ORFNIGBTFFUYRE-UHFFFAOYSA-N 299.399 3.521 30 20 CHED CC(C)CC[C@H](O)CN(Cc1ccc(C#N)cc1)C(C)C 361268352 VMHLDPGEWMJLRU-SFHVURJKSA-N 288.435 3.566 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(C3CC3)cc2)s1 611307479 JUKBBBMUDPMWTM-UHFFFAOYSA-N 268.341 3.749 30 20 CHED C[C@H](NCC1(C)CCCC1)c1ccc(C#N)c(F)c1 539609632 MRQAPOJHWQZYKL-LBPRGKRZSA-N 260.356 3.928 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 450092273 WLAMRZMDCRDDDP-UHFFFAOYSA-N 273.254 3.562 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)c2ccccc2F)C1 617784069 MQQOBJHKGRFFJH-UONOGXRCSA-N 275.367 3.744 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2Cc3c(C)cccc3O2)n1 453190164 SPXPHGWNSXLFHV-AWEZNQCLSA-N 284.359 3.908 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C(C)(C)C)oc2c(C)cccc12 267367633 BCVPNOFNWLPZPR-ZDUSSCGKSA-N 284.359 3.718 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1 611438809 WDWGUZYCNRVXBR-OKILXGFUSA-N 275.355 3.842 30 20 CHED C[C@]1(C#N)CCCN(Cc2ncc(-c3ccccc3)s2)C1 612163555 SBIFMGUDNJTXEZ-QGZVFWFLSA-N 297.427 3.936 30 20 CHED Cc1nc(C)c([C@@H](C)NC2(c3cccc(C#N)c3)CC2)s1 272299130 QYYNVVYCGDOMTK-GFCCVEGCSA-N 297.427 3.972 30 20 CHED N#CC1(CN2CCC[C@@H]2/C=C/c2ccccc2)CCC1 450710143 PMCAAABDNMGCIX-OAGJVSPASA-N 266.388 3.858 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 362678783 GNKNFQIFLGXPKW-NWDGAFQWSA-N 289.404 3.777 30 20 CHED C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)c(F)c1 453392023 UCVYXGGDXBDUKE-KZULUSFZSA-N 280.346 3.720 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(CC#N)c1 456763129 ZMOCFLXGEFJVGK-GDBMZVCRSA-N 270.376 3.908 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC[C@H]1c1cccs1 459227238 FRRJRCMFAWLPGI-LBPRGKRZSA-N 291.420 3.534 30 20 CHED C#CCCCN[C@@H](c1c(F)cccc1F)C(F)(F)F 272514792 KLSUMHUWJQAYBD-LBPRGKRZSA-N 277.236 3.571 30 20 CHED CS[C@H](C)CCC(=O)Nc1ccc(CC#N)cc1Cl 452645662 ORWOGOVCXFMEAC-SNVBAGLBSA-N 296.823 3.876 30 20 CHED CCCC(O)(CCC)CC(=O)Nc1cc(C)cc(C#N)c1 456972507 VIDGYRZLEYBQHL-UHFFFAOYSA-N 288.391 3.527 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)Cc1cccc(F)c1 452777620 VUNBZBGZKFIVBC-ZDUSSCGKSA-N 277.383 3.723 30 20 CHED C=CCCN(C)C(=O)C[C@H](CC)c1ccc(OC)cc1 276017001 AGRYIWHWCILURM-AWEZNQCLSA-N 275.392 3.613 30 20 CHED N#Cc1cc(F)c(NC[C@H]2CCOC3(CCC3)C2)c(F)c1 450710396 BKCFPUZQGLUREG-NSHDSACASA-N 292.329 3.598 30 20 CHED CCCCN(C(=O)c1ccc(CC#N)cc1)[C@@H](C)CC 270414323 IZGOUDSHVWAXAZ-AWEZNQCLSA-N 272.392 3.793 30 20 CHED C[C@@H](CC1CC1)NC(=O)Nc1ccc(CC#N)cc1Cl 455695220 ASNISZRSNXZCMA-JTQLQIEISA-N 291.782 3.716 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 363360441 HZUTWBZLBMSVHB-OAHLLOKOSA-N 279.330 3.985 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@@H]1C[C@H]1CC 452763491 GXUSSXYEAKELJQ-OLZOCXBDSA-N 275.417 3.741 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 274347599 PXBZPKIOMIIYMQ-KDOFPFPSSA-N 286.419 3.618 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cc(C)c(F)cc1Cl 455416199 GZQYPGKEENLZKR-UHFFFAOYSA-N 295.745 3.721 30 20 CHED N#CC1(c2nc(-c3cc(F)cc(F)c3)no2)CCCCC1 273721460 NXPUVEYSVGUWCI-UHFFFAOYSA-N 289.285 3.740 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 542707034 RRFGABLZFWFQSZ-UXIGCNINSA-N 285.391 3.813 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 542707032 RRFGABLZFWFQSZ-NJZAAPMLSA-N 285.391 3.813 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccccc1CC 549274484 VCTVINLYMZEYFL-HYVNUMGLSA-N 271.404 3.823 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1ccc(C)o1)C1CCCC1 541776880 NTCBLVVVZUQWDY-PBHICJAKSA-N 277.408 3.594 30 20 CHED CSCCCCCNc1ccc(Cl)c(C#N)n1 274735602 DAUMAVJRITYEFX-UHFFFAOYSA-N 269.801 3.552 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1nc(C)ccc1C#N 271322446 KJTMPJQTNNCOFX-WBMJQRKESA-N 299.349 3.589 30 20 CHED C=CCC[C@H](NC1CCN(CC=C)CC1)c1ccco1 276383769 AAPZSHDEBIZDOG-INIZCTEOSA-N 274.408 3.527 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)CCc1ccc(O)cc1 270777542 WLYCBRIJIOCCOW-AWEZNQCLSA-N 287.403 3.598 30 20 CHED C=CCN(CC=C)C(=O)c1ncsc1-c1ccccc1 463253864 ATMYIHJRZMLOBF-UHFFFAOYSA-N 284.384 3.624 30 20 CHED Cc1ccccc1C(NC(=O)[C@@H](C)C#N)c1ccccc1C 546220067 PFWXKXUKAZAFBQ-HNNXBMFYSA-N 292.382 3.669 30 20 CHED Cc1ccc(O[C@H](C)CNc2cccc(F)c2C#N)cc1 463073209 HUGUYRJZYRDXHB-CYBMUJFWSA-N 284.334 3.885 30 20 CHED C[C@]1(CNc2c(Cl)cccc2C#N)CCO[C@@H]1C1CC1 466617896 KLNYVVNVTWTGFY-HZPDHXFCSA-N 290.794 3.829 30 20 CHED C[C@@H](N[C@H]1CCCC12CCOCC2)c1cccc(C#N)c1 282040751 LMJFCKDLDZXMAG-PBHICJAKSA-N 284.403 3.558 30 20 CHED C=CC[C@H]1N(CCCO[C@H]2CCCCO2)CCCC1(C)C 558737618 HFYSNWICOSIZTA-SJORKVTESA-N 295.467 3.986 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H]2C[C@]2(C)C(C)C)cc1 552245375 UZPTZHADJUOVAQ-SJLPKXTDSA-N 287.403 3.550 30 20 CHED N#CCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 285365114 FNEKHCAXJRVODJ-GVDBMIGSSA-N 254.377 3.558 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(CCC(C)C)C1CC1 460555973 GMPUCDIKQPLDOY-UHFFFAOYSA-N 288.439 3.747 30 20 CHED CC(C)(C#N)CCCn1ccnc1C(=O)c1cccs1 286338114 KBBVPTJYRMWAHQ-UHFFFAOYSA-N 287.388 3.506 30 20 CHED N#CCCCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 289099036 VCRKLBIXLUDDJB-RBUKOAKNSA-N 294.398 3.745 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCc2cc(C)ccc21 467928061 UJDFFXQZTXBMDO-NVXWUHKLSA-N 257.377 3.701 30 20 CHED CCc1ccc(F)cc1C(=O)[C@@H](C#N)c1nc(C)cs1 633894504 KMPXUDSLVYAOOD-CYBMUJFWSA-N 288.347 3.643 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1ccccc1SC 282859703 XLLGGPHBLPDWIP-ZDUSSCGKSA-N 290.432 3.572 30 20 CHED Cc1cccc2c1CN(c1ccc3cc(C#N)ccc3n1)CC2 555650361 SPPJFGJTCWBWLY-UHFFFAOYSA-N 299.377 3.978 30 20 CHED C=CCOCCCOc1ccc([N+](=O)[O-])c2ccccc12 475986715 FEBAFLULIXXUHP-UHFFFAOYSA-N 287.315 3.720 30 20 CHED O=C1/C(=C\c2cccs2)C[C@@H](C(=O)O)c2ccccc21 806559354 ANWUHCQZKJQGID-QQBNSCQMSA-N 284.336 3.586 30 20 CHED CCCc1ccc(COC(=O)[C@@](C)(C#N)CC)cc1 803786554 IKXAEORNCLNNET-MRXNPFEDSA-N 259.349 3.622 30 20 CHED C=CCCC1(C(=O)Nc2nnc(-c3ccccc3)s2)CC1 475118935 MXIXEZHWLIUFGU-UHFFFAOYSA-N 299.399 3.890 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cccc3[nH]ccc23)no1 290096071 LRVYIURSZUMFSD-UKRRQHHQSA-N 295.342 3.667 30 20 CHED C[C@@H]1/C(=C\c2cc(C(=O)O)cs2)C(=O)c2ccccc21 809157532 UAZVTEMOVFMOEN-DUJAKZANSA-N 284.336 3.830 30 20 CHED C[C@@H](NC(=O)CCCC#N)C1(c2ccccc2)CCCC1 293262348 LGNTXKHEWQRMDS-OAHLLOKOSA-N 284.403 3.697 30 20 CHED C#Cc1ccc(CN2C[C@H](C)OC[C@H]2c2ccccc2)cc1 809581753 OIYNRRNUXHKPDL-JXFKEZNVSA-N 291.394 3.630 30 20 CHED Cc1cccnc1NN=C1C[C@H](C)c2ccccc21 807984365 NTMWIVABXMGXLP-LBPRGKRZSA-N 251.333 3.713 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 809625190 ZNFMQTKOTWPJNB-AWEZNQCLSA-N 294.354 3.735 30 20 CHED CO[C@H](COC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 801321376 LAZGVGLKWWNATM-CYBMUJFWSA-N 295.766 3.511 30 20 CHED CCc1cnccc1-c1noc(-c2ccc(C)c(C#N)c2)n1 809420794 QFHIAMZWWHOHDV-UHFFFAOYSA-N 290.326 3.541 30 20 CHED CCc1ccc(OC(=O)c2cc(C#N)ccc2Cl)cc1 807928524 ATBQRZMSHCSINJ-UHFFFAOYSA-N 285.730 3.993 30 20 CHED C=CCOCCCN1CC[C@@H](c2ccccc2)[C@H](C)C1 470766757 RPTPQRPENBVPEO-SJLPKXTDSA-N 273.420 3.705 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc(C(F)(F)F)[nH]2)c1 807965271 PVQDEGIPNMAYGK-UHFFFAOYSA-N 289.207 3.758 30 20 CHED C=CCOCCCN1CCC(Cc2ccccc2F)CC1 470760785 DXKUIAKVBLHBHI-UHFFFAOYSA-N 291.410 3.673 30 20 CHED C=C(Cl)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 298456352 HTIXBDIQWKNUEB-QWHCGFSZSA-N 290.165 3.651 30 20 CHED CCC[C@H](CC)SCC(=O)Nc1cccc(C#N)c1 477089701 QPRWXFWKZPUELF-AWEZNQCLSA-N 276.405 3.809 30 20 CHED CC(=NN[C@H]1CCSC1)c1sc(C(C)(C)C)nc1C 808002523 AEIFNXHVQGLXCI-NSHDSACASA-N 297.493 3.568 30 20 CHED C=CCCCCCCNC(=O)N1[C@H](C)CC[C@H]1C 807569315 DUKSSQIRBVHHPT-ZIAGYGMSSA-N 252.402 3.705 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1c1cccc(Cl)c1 483414198 CYKVGCZPBQQFSJ-HNNXBMFYSA-N 290.794 3.600 30 20 CHED COc1ccc(F)cc1C=NNc1cccc(C)c1 812222458 LQBIVGLKHIMEGG-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C[C@H](NN=C1CCc2cc(Cl)ccc21)c1ccncc1 819814973 JXKIZESTAWGBAY-NSHDSACASA-N 285.778 3.736 30 20 CHED C=C(C)CN(C)C(=O)N1CCC(Cc2ccccc2)CC1 486076711 DSESLYNENMFTGV-UHFFFAOYSA-N 286.419 3.569 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccn1 488538874 DMTOZDSYWZOTNI-LLVKDONJSA-N 299.296 3.673 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NOCC(F)F 814903870 FMXBTAFPYBRFIJ-TZMCWYRMSA-N 283.318 3.607 30 20 CHED C=CC[C@@H](NC(=O)N1CC(C)(C)[C@H]1C1CC1)c1ccncc1 812048025 LGPHOSMIUIVODU-HZPDHXFCSA-N 299.418 3.529 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)CCOc1ccccc1 489859831 QSIGZLYAKFTLOG-HNNXBMFYSA-N 289.419 3.810 30 20 CHED CC(C)[C@@H](C)N(C)Cc1ccc(C#N)cc1Br 480756592 ATNAFPQMYLIGJW-LLVKDONJSA-N 295.224 3.797 30 20 CHED C=CCC(F)(F)C(=O)N1CCC(c2ccc(F)cc2)CC1 815768688 HBKBQLKLECKRFD-UHFFFAOYSA-N 297.320 3.743 30 20 CHED COc1ccc(C)cc1C=NNc1ccc(F)c(F)c1F 814946841 YTDFANWLLHWVBO-UHFFFAOYSA-N 294.276 3.867 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1C 482697040 PKIQWNLFFUBUSH-RKVPGOIHSA-N 298.430 3.679 30 20 CHED CCCCC1CCC(C(=O)N[C@]2(C#N)CC2(C)C)CC1 484898574 DVPSQRFSCOSJMW-KVULBXGLSA-N 276.424 3.791 30 20 CHED C#Cc1cccc(NC(=O)Cn2c(C)cc3ccccc32)c1 817842464 IFIPNKLQRIEIOU-UHFFFAOYSA-N 288.350 3.570 30 20 CHED CCc1ccccc1NN=C(C)c1cccc(CO)c1 814802217 WQJSJMXQQYTYCG-UHFFFAOYSA-N 268.360 3.577 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H](C)c1ccccc1 489699125 APKQWVBELLQAFO-CQSZACIVSA-N 259.393 3.899 30 20 CHED Cc1cc(OCCOC(=O)CCCC#N)ccc1C(C)C 812616191 UISNSYAQHVBEDM-UHFFFAOYSA-N 289.375 3.734 30 20 CHED C=CCCCCn1nc(C)c2cc([N+](=O)[O-])ccc21 576227666 RKQCQEJKYGKCEV-UHFFFAOYSA-N 259.309 3.609 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(/C=C\C)cc1 487969278 PKGWKSVVESKIAE-LYASGUKUSA-N 286.419 3.945 30 20 CHED COCCCNN=C1CCCC[C@H]1C1=CCCCC1 814918904 HLJBODIJTMPJLZ-HNNXBMFYSA-N 264.413 3.659 30 20 CHED CC[C@H](N=c1ccc(C#N)c(C)[nH]1)c1cccc(Cl)c1 488055445 IWUVKMVYICIGBQ-HNNXBMFYSA-N 285.778 3.900 30 20 CHED N#CCCCC(=O)OCc1ccc(Cl)c(Cl)c1 812615541 HTTVJGIOMMFMPS-UHFFFAOYSA-N 272.131 3.730 30 20 CHED COc1ccc(SCc2ccc(OCC#N)cc2)cc1 729240756 KFPFFGKCRVYHPZ-UHFFFAOYSA-N 285.368 3.890 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](SC)c1ccccc1 489943974 WSLXQNBOHPGQDF-CQSZACIVSA-N 277.433 3.809 30 20 CHED C=CCN(Cc1noc(C(C)(C)C)n1)CC1CCCCC1 484598041 MJRKGORYFZQOMK-UHFFFAOYSA-N 291.439 3.935 30 20 CHED CC[C@@H](CC(=O)OCCOc1cccc(C#N)c1)C(C)C 729759073 BVLKDLDOGAGUMR-HNNXBMFYSA-N 289.375 3.553 30 20 CHED C=CCC1(N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 827146000 AQEDDYPPKVMXAE-QWHCGFSZSA-N 291.357 3.822 30 20 CHED C=CCOc1ccccc1C(=O)NCCc1ccccc1C 497374474 LMPSYNQQJIALDZ-UHFFFAOYSA-N 295.382 3.532 30 20 CHED CC(C)C#CC(=O)N[C@H](CC(C)C)c1ccccc1 820222259 FBHHWYJSKLNJHH-MRXNPFEDSA-N 257.377 3.549 30 20 CHED C#Cc1cnc(N[C@@H](C)c2ccc(SCC)cc2)nc1 827557499 NXPNHKPSNLDPCP-LBPRGKRZSA-N 283.400 3.743 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572701655 GOJHIJUJDNANCW-CKNFYHOISA-N 296.414 3.747 30 20 CHED Cc1nc(C#N)c(NN=C2CCC[C@H]2CCC(C)C)o1 727255297 NIZFGJJMEROUHW-LBPRGKRZSA-N 274.368 3.859 30 20 CHED C[C@@H](NCCOc1cccc(C#N)c1)[C@H](C)c1ccccc1 495400838 GCRQWOYWNUCNEE-JKSUJKDBSA-N 294.398 3.719 30 20 CHED COc1cc(C)c(N=Cc2ccccc2O)cc1F 588507115 ZOHWYICLVHBXBJ-UHFFFAOYSA-N 259.280 3.599 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H]1CCCc2cccnc21 821006760 YQICWHKQAZNFDS-AWEZNQCLSA-N 273.376 3.647 30 20 CHED C=CCC(C)(C)C(=O)OCC[C@@H]1CC1(Cl)Cl 820686707 PLXRXKAFTSPPHM-SECBINFHSA-N 265.180 3.716 30 20 CHED CCOc1cccc(-c2ccc(F)c(C[C@H](C#N)CO)c2)c1 904797448 XFDRWCAJRQPDRU-CYBMUJFWSA-N 299.345 3.566 30 20 CHED CC(C)c1ccc(-c2noc(CCCCCC#N)n2)cn1 589149775 RTQAALYHOHGZQX-UHFFFAOYSA-N 284.363 3.881 30 20 CHED COC(=O)c1ccc(/C=C2\CCc3sccc3C2=O)cc1 726891257 HQNUQZFSSFNOLC-JLHYYAGUSA-N 298.363 3.747 30 20 CHED C=CC1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 732003200 LUJMWGGZPGUCKX-VMPITWQZSA-N 275.779 3.778 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cn(C(C)(C)C)nn2)cc1 588581122 JIJNYYPKKMHHHT-QXMHVHEDSA-N 297.402 3.882 30 20 CHED CC(C)Nc1cccc(F)c1NCc1cc(C#N)ccn1 901401537 IITOQCUAKXFVGE-UHFFFAOYSA-N 284.338 3.525 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(C)c(F)c2)C1 665162598 WIQQYHBETCIABK-ZDUSSCGKSA-N 276.355 3.954 30 20 CHED C=C(C)[C@H]1CC=C(COC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)CC1 835199853 YBCSCPHEIYRSBF-MWDXBVQZSA-N 290.403 3.790 30 20 CHED CC[C@@](C)(C=NNc1ccc(C(F)(F)F)cc1)OC 834965571 RMKMQMFNLWRAHC-LBPRGKRZSA-N 274.286 3.918 30 20 CHED O=C(C1[C@@H]2CCCC[C@@H]12)N(O)Cc1cccc2ccccc12 900091559 BELYHQYVITZQBH-IAGOWNOFSA-N 295.382 3.994 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)O[C@H]1CCC[C@H](C#N)C1 839058818 YCTMFNHWFUBILY-BPUTZDHNSA-N 293.407 3.740 30 20 CHED CO[C@](C)(C=NNc1ccc(C)cc1Cl)C1CC1 835011695 MSXIORQCKPCMNI-CQSZACIVSA-N 266.772 3.861 30 20 CHED Cc1ccc(CNN=Cc2ccccc2C2CC2)cc1 835007854 AJHXUGKDMQLIAZ-UHFFFAOYSA-N 264.372 3.996 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2cc(F)ccc2F)c1 834769607 OFCYAPZJWOOPPK-QPJJXVBHSA-N 269.250 3.733 30 20 CHED Cc1ccccc1/C=C1\COc2ccc(F)cc2C1=O 731565577 ULWCLTHUWQGCTH-MDWZMJQESA-N 268.287 3.793 30 20 CHED CCn1cncc1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 901488828 INUCIBBWFXUNCX-FSEGOYHTSA-N 278.355 3.603 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 835348211 LBVZCRFXUGYGKO-VFVRVIDISA-N 293.370 3.632 30 20 CHED C[C@H](N[C@@H]1CCCc2scnc21)c1cccc(C#N)c1 599026439 APSSAUIDUAJLED-SMDDNHRTSA-N 283.400 3.743 30 20 CHED C=CCC1(C(=O)OCCc2scnc2C)CCCC1 835081855 HRYRDRXJROQXDX-UHFFFAOYSA-N 279.405 3.674 30 20 CHED CC[C@@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 902999383 ODWLWBPFQWJEQU-FZDIXFNVSA-N 298.430 3.540 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C1CC2(CCC2)C1 582302395 SSSWJFQYBCLVGE-UHFFFAOYSA-N 299.414 3.790 30 20 CHED C#CCC[C@@H](C)OC(=O)c1scc(C)c1Cl 839039873 SGGYEOQSIRNNJE-SECBINFHSA-N 256.754 3.669 30 20 CHED CCC#C[C@@H](C)N[C@@H](C)c1ccccc1OC(F)F 678738176 ZIDPXMOUABGPLM-NEPJUHHUSA-N 267.319 3.741 30 20 CHED C#Cc1ccc(C(=O)N(CCC)c2ccc(CC)cc2)nc1 836849239 GPCZAOBHWVFGIQ-UHFFFAOYSA-N 292.382 3.682 30 20 CHED C=CCC(F)(F)C(=O)NC1(C(C)(C)c2ccccc2)CC1 837096742 NWKPBGFXCJWLNX-UHFFFAOYSA-N 293.357 3.824 30 20 CHED C#CC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 831046840 HRJDOMUEEQHHMK-UHFFFAOYSA-N 296.292 3.583 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2coc3ccccc23)C1 839048288 CRNWKVDVQHLFAN-NEPJUHHUSA-N 269.300 3.672 30 20 CHED CCOc1ccccc1COC(=O)[C@@]1(C#N)CC12CCCC2 837907707 ROKZRYPVIVSBKC-SFHVURJKSA-N 299.370 3.603 30 20 CHED C=CCCCOC(=O)c1cc(C)n(-c2cc(C)on2)c1C 735531535 FWUGCIPVWJSOSM-UHFFFAOYSA-N 288.347 3.514 30 20 CHED C=CC[C@@H](NC(=O)c1cc2ccccc2o1)c1ccncc1 734236992 JDXBDJBZIVHZAH-OAHLLOKOSA-N 292.338 3.875 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 592620225 SCHJFMREGGQTIY-QWHCGFSZSA-N 286.375 3.578 30 20 CHED C[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1F 839048399 DEIUWLGFRBSDNB-AVGNSLFASA-N 275.323 3.555 30 20 CHED C=CCC1(C(=O)OCc2ccc(Cl)nc2)CCCC1 835168492 FAOAAIREWAWXQQ-UHFFFAOYSA-N 279.767 3.915 30 20 CHED Cc1nc2ccccc2cc1C(=O)O[C@H](C#N)C(C)(C)C 835290163 BIJKZKXCVVHROE-OAHLLOKOSA-N 282.343 3.638 30 20 CHED C=CC(C)(C)COC(=O)C[C@H]1CCO[C@H](C(C)C)C1 835723177 PVHQQIDRKWVPHK-KBPBESRZSA-N 268.397 3.583 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(C)s1 830048573 QDESIMJGHPRXFB-LBPRGKRZSA-N 283.462 3.962 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H](C)Cc1cccs1 741463701 HSASCYUDFPMDPW-OOIIIRTPSA-N 289.400 3.760 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C(c1ccccc1)c1ccccc1 594100197 FCSMTGQDTAKHAX-KRWDZBQOSA-N 292.382 3.579 30 20 CHED C=CCOCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 591666923 GWQMGPTUJIIXRG-UHFFFAOYSA-N 294.565 3.788 30 20 CHED CC(=O)Nc1ccc(C=NNc2cccc(Cl)c2)cc1 916269431 NQEIJDINTFFOND-UHFFFAOYSA-N 287.750 3.744 30 20 CHED Cc1ccccc1CC1CN(Cc2ccc(C#N)s2)C1 590967270 XRAJQMGWEYOITJ-UHFFFAOYSA-N 282.412 3.603 30 20 CHED CC(=NOCc1cccnc1)c1coc2ccccc12 747764496 WZHADIFDLPOTST-UHFFFAOYSA-N 266.300 3.769 30 20 CHED C=CC[C@H](C(=O)N(CC)CCSC)c1ccccc1 592738096 SAMKQHHJYQOGJW-HNNXBMFYSA-N 277.433 3.558 30 20 CHED CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(C#N)s2)cn1 840722262 ZVBAAMHRCMARNB-XQRVVYSFSA-N 297.383 3.603 30 20 CHED C=C(CN[C@@H](COC)Cc1ccccc1)c1ccccc1 675783141 BSIIUMDVBMFJEW-LJQANCHMSA-N 281.399 3.547 30 20 CHED C=CCOc1ccc(CNC(=O)N(C)C(C)(C)CC)cc1 671687063 WAHHRLXOGMEGIK-UHFFFAOYSA-N 290.407 3.581 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 593424132 UMYHBTCQDYBNRM-ZDUSSCGKSA-N 283.375 3.786 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CC(C1CCC1)C1CCC1 599271904 JWTXJEFLEFELBX-HNNXBMFYSA-N 276.424 3.647 30 20 CHED CCC[C@H](C)OC(=O)CCCCOc1cccc(C#N)c1 748122998 RYCIADYSJHVGLB-AWEZNQCLSA-N 289.375 3.839 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 595460344 CNOSZEIIWFHHCX-QLFBSQMISA-N 299.418 3.839 30 20 CHED CCO[C@@H](CC)c1noc(/C=C/c2ccccc2C#N)n1 596616055 RMOABIAGEFRSEB-HBWSCVEGSA-N 283.331 3.599 30 20 CHED Cc1cc(C(=O)/C=C/c2c(C3CC3)cnn2C)cc(C)c1F 849245189 PCTAKRKHHPSSIG-VOTSOKGWSA-N 298.361 3.950 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)C1CCCC1)c1ccncc1 749392716 ZITHYMBEPYIORQ-CJNGLKHVSA-N 272.392 3.641 30 20 CHED Cc1nc(SCc2cccc(C#N)c2)sc1C 741855441 LRRWLTSXWVBJDY-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C=CCN(Cc1cc(-c2ccc(OC)cc2)no1)C(C)C 917069174 JRFZQQSCPHTVPW-UHFFFAOYSA-N 286.375 3.747 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 595542435 WJJVYHIFEPBGQY-QLFBSQMISA-N 299.418 3.839 30 20 CHED CCC(CC)(CC)C(=O)OCC(=O)c1cccc(C#N)c1 748307600 ZUWNUJPYWKRACX-UHFFFAOYSA-N 287.359 3.501 30 20 CHED Cc1ccc(NN=Cc2cc3cc(C)c(C)cc3o2)nn1 749815013 JCOHLKLDZZCDBY-UHFFFAOYSA-N 280.331 3.594 30 20 CHED N#CC1(CSCc2ccc(Cl)nc2)CCC1 842193456 NGQSZWKEPIKQBN-UHFFFAOYSA-N 252.770 3.662 30 20 CHED CCCCNN=Cc1c(OC)ccc2ccccc12 915966129 MGBVANGNSIWGAF-UHFFFAOYSA-N 256.349 3.572 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 598523092 ZHRVLHUKJAQPPA-AWEZNQCLSA-N 284.403 3.598 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)c1cccc(O)c1 597250855 CSEXVSCLDIHQDD-UHFFFAOYSA-N 296.370 3.711 30 20 CHED CC(=NNc1ccccc1Cl)c1cnc(C)nc1C 741451572 JTHNUSSZFIYBLT-UHFFFAOYSA-N 274.755 3.583 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@H](C)c1ccccc1 746367919 RQXRZTDZMKRLJL-LBPRGKRZSA-N 282.343 3.976 30 20 CHED N#CC1(CCN2CCC[C@@H](OC3CCC3)C2)CCCCC1 594020585 JBYZBBMAKUZRRS-QGZVFWFLSA-N 290.451 3.884 30 20 CHED CC[C@H](C#N)N(C)C(=O)CC(C)(C)C1CCCCC1 594086911 FNPDOJDHPXQUCI-CQSZACIVSA-N 264.413 3.744 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccc(C)c(Cl)c1 841333272 ZYPFMUKDXCSUPF-NSHDSACASA-N 268.740 3.535 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(F)c(F)c1F 596997108 YKQCJCPXIJALAZ-UHFFFAOYSA-N 284.325 3.866 30 20 CHED Cc1ccc2c(c1)CN(c1nc(C#N)c(Cl)s1)CC2 596408249 IAZCOGHKFIRNGB-UHFFFAOYSA-N 289.791 3.539 30 20 CHED Cc1cc(C#N)ccc1N1CCC(OC2CCCC2)CC1 846747181 BHFNGGVLBNJJOX-UHFFFAOYSA-N 284.403 3.795 30 20 CHED C=CCCCC[C@H](C)N[C@H](C(=O)O)c1ccccc1 840996039 GTHMUTIRDYDZPQ-ZFWWWQNUSA-N 261.365 3.537 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(Cl)s1 851213787 KDLSXIXSLQFPEG-QMMMGPOBSA-N 271.769 3.887 30 20 CHED CCc1ccccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851208304 RHZHNEJPVLWMMB-LBPRGKRZSA-N 259.349 3.734 30 20 CHED C=CCOc1cccnc1C(=O)OCc1ccc(C)c(C)c1 758525245 CCPKYLXQBSOOTO-UHFFFAOYSA-N 297.354 3.620 30 20 CHED C=C(Cl)COC(=O)c1cc(C)nc2onc(C(C)C)c12 920896032 IMSABLUYMHOJJR-UHFFFAOYSA-N 294.738 3.564 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 850557951 OSPDAFFPBQVUGY-CVEARBPZSA-N 294.483 3.748 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(F)cc1)OCC 756476964 MFNCUBLAYVFYDI-SWLSCSKDSA-N 280.339 3.801 30 20 CHED C=C[C@@H](C)ONC(=O)c1cccc(SC(F)(F)F)c1 855028396 VCTLVZOPMDBMKF-MRVPVSSYSA-N 291.294 3.534 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cc(Cl)cs2)n1 759422200 TZXVSIWIICIIOR-QMMMGPOBSA-N 282.777 3.657 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](C)c1oc2ccccc2c1C 753102084 MSELGZYBTUOQJU-STQMWFEESA-N 284.359 3.513 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=CC1CCSCC1 853291524 KBAJQSKRHAGSRP-UHFFFAOYSA-N 299.783 3.789 30 20 CHED C(=NNc1ncnc2ccsc12)[C@@H]1C[C@@H]1c1ccccc1 755794815 FAWKLABEUHTSHJ-QWHCGFSZSA-N 294.383 3.893 30 20 CHED CC(=NNc1ncccn1)c1ccc(-c2ccccc2)o1 755892472 HXEKGQVHJXUDNV-UHFFFAOYSA-N 278.315 3.573 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)O[C@H](C)CC(C)(C)C#N 851208792 DSKDVUNQYHKAJJ-HIFRSBDPSA-N 295.423 3.986 30 20 CHED CC(=NNc1cc(C)ccn1)c1ccc2c(c1)CCC2 755902384 KLXVFYNCYSMPRX-UHFFFAOYSA-N 265.360 3.715 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cccnc2Cl)co1 752892985 ZHQKWKJVOSYISB-WAYWQWQTSA-N 276.723 3.743 30 20 CHED N#Cc1cccc(NN=C2CSCCc3ccccc32)c1 759193158 CVUFOXHPMJVCTK-UHFFFAOYSA-N 293.395 3.664 30 20 CHED CC(=NNc1c(F)cccc1F)c1cnc(C)s1 761267941 WXDJFTRARYJMCN-UHFFFAOYSA-N 267.304 3.566 30 20 CHED Cc1oc2ccccc2c1CC(=O)OCC1(C#N)CCC1 768091776 RUXXSGQMRBVPSU-UHFFFAOYSA-N 283.327 3.521 30 20 CHED CCCCCCCNC(=O)c1ccccc1[S@@](=O)CC 862359251 GQKJIPFVSOYTPD-FQEVSTJZSA-N 295.448 3.514 30 20 CHED CC(C)CN(Cc1ccccn1)Cc1ccc(F)cc1C#N 932444250 FVKBVTDNAYOGFG-UHFFFAOYSA-N 297.377 3.751 30 20 CHED CCC(C#N)(CC)C(=O)N1Cc2cccc(Cl)c2C1 861729471 UWVXLKPNNGIFTL-UHFFFAOYSA-N 276.767 3.512 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(O)cc1OC(C)C 935654501 ASBZEMXBLKYBNA-GFCCVEGCSA-N 277.364 3.720 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 767091877 PCOCBGSXKJYGSF-UHFFFAOYSA-N 283.375 3.605 30 20 CHED CCCCCCCS(=O)(=O)c1cc(F)ccc1F 764503583 MYPRBKCTAYWETK-UHFFFAOYSA-N 276.348 3.709 30 20 CHED CC(C)n1cccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 764612125 GDFXKLJJBAFBGO-ZDUSSCGKSA-N 282.343 3.859 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(Cl)cc1SCC 767252615 HHKNUVZGZQTPKY-JTQLQIEISA-N 281.808 3.546 30 20 CHED CCCCCCCC(=O)N1CCOCC12CCCC2 762711654 IQRNWDRRIXNFHS-UHFFFAOYSA-N 267.413 3.519 30 20 CHED Cc1cc(Br)cc(C(=O)OCCCCC#N)c1 766798786 QUGXYNWZKSQPEG-UHFFFAOYSA-N 296.164 3.608 30 20 CHED C#CCCNc1cc(COc2cccc(F)c2)ccc1OC 760290714 GIQXRGNVIFNZLE-UHFFFAOYSA-N 299.345 3.849 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1cccc(CC#N)n1 1116777664 YAQPWEMNNXDFPC-SQFISAMPSA-N 277.371 3.687 30 20 CHED Brc1ccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)cn1 762420192 FAYUNTCSZSLUKY-GARJFASQSA-N 294.196 3.678 30 20 CHED C#CCCN(Cc1ccnc2ccccc12)CC(F)(F)F 768535263 VTWNTVKRCGKICY-UHFFFAOYSA-N 292.304 3.622 30 20 CHED CS[C@@H](C(=O)Oc1ccc(C#N)c(C)c1)c1ccccc1 765113447 OGUGAGXWCLOZOY-MRXNPFEDSA-N 297.379 3.876 30 20 CHED C[C@H](Oc1cccc2ccccc12)C(=O)OCCCCC#N 769358246 SETHFKLYHOECIC-AWEZNQCLSA-N 297.354 3.844 30 20 CHED C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccco1 764785753 JKQNXSVTVFNVIP-GFCCVEGCSA-N 299.326 3.613 30 20 CHED CC#CCCOC(=O)c1cc(C2CC2)nc2ccc(F)cc12 760296517 YRIZAKFZJJVMGQ-UHFFFAOYSA-N 297.329 3.822 30 20 CHED C=C(C)CNC(=S)N1CCc2ccccc2[C@@H]1C(C)C 763164027 JFYHHHJJIAPBOH-INIZCTEOSA-N 288.460 3.692 30 20 CHED N#Cc1c(F)cccc1OCc1ccc(Cl)s1 155640004 JEYGXVVMDWVLAZ-UHFFFAOYSA-N 267.712 3.991 30 20 CHED Cn1cc(/C=C2\C(=O)c3ccccc3SC2(C)C)cn1 871671202 IVEAIWWUQUJTJT-MDWZMJQESA-N 284.384 3.571 30 20 CHED C[C@H]1CC/C(=C/C(=O)Nc2cc(C#N)c(F)cc2F)C1 876345301 CXFAYEYVRHUDNB-QFQXNISHSA-N 276.286 3.521 30 20 CHED N#Cc1cccc(-c2nnc(CC(C3CC3)C3CC3)o2)c1 1117261566 XQYWUVWTLSRNHK-UHFFFAOYSA-N 279.343 3.587 30 20 CHED Cc1ccc(-c2ocnc2C(=O)OCCC(C)(C)C#N)cc1 776390652 XMUXDIYEDOHUIG-UHFFFAOYSA-N 298.342 3.747 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 773298146 CNWLLASHTXTEDS-IBGZPJMESA-N 297.442 3.970 30 20 CHED C#CCOc1ccccc1NCc1ccc(OCC)cc1 775359168 DHYXTNZTJGRMRU-UHFFFAOYSA-N 281.355 3.709 30 20 CHED Cc1ccc(OCCCC(=O)Oc2ccc(C#N)cc2)cc1 876468330 FMZFLCIELYUBRE-UHFFFAOYSA-N 295.338 3.631 30 20 CHED C=CCN(CCc1ccco1)C(=O)C=C1CCCCC1 778983926 AWEATADODGUWSX-UHFFFAOYSA-N 273.376 3.727 30 20 CHED C[C@@H]1CCCCN(C(=O)c2ccccc2SCC#N)C1 772637110 AVBRMRFHNUKGIJ-CYBMUJFWSA-N 288.416 3.564 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1cnccc1C 771563565 MIDWIIWQASUTOC-UHFFFAOYSA-N 291.301 3.828 30 20 CHED CCCCCCCC(=O)NCc1ccnc(SC)c1 771797016 POTIKAQFUIWFOI-UHFFFAOYSA-N 280.437 3.780 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccc2nccn12 776917556 HUSADIPRUGXQDY-UHFFFAOYSA-N 297.402 3.543 30 20 CHED CC(=NNc1ccccc1Cl)[C@@H]1CCCOC1 779752117 HLIQBKXMRCXSTH-LLVKDONJSA-N 252.745 3.554 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)CCc2ccc(F)cc21 776191291 CQKCXYMBLZPKSA-GHXNOFRVSA-N 286.277 3.883 30 20 CHED C=C(C)CN(C)C(=S)Nc1cccc(C(F)(F)F)c1 777919427 UQTQKYILEAJQMU-UHFFFAOYSA-N 288.338 3.910 30 20 CHED CC(C)(C)CCOC(=O)c1cc(-c2cccc(C#N)c2)no1 789118417 XWROKNWBDQWERX-UHFFFAOYSA-N 298.342 3.806 30 20 CHED Cc1ccc([C@@H]2CCCC2=NOC[C@H]2CCOC2)cc1 788030587 OXCBCJXPOBJIRK-HOCLYGCPSA-N 273.376 3.672 30 20 CHED CC(=NNc1ccnc(F)c1)c1cc(C)c(C)cc1C 781126910 HAXXGJUANLDYQB-UHFFFAOYSA-N 271.339 3.982 30 20 CHED CCC(=NNCCc1ccccn1)c1ccc(Cl)cc1 789097148 MZGGTPGZQJSWQO-UHFFFAOYSA-N 287.794 3.681 30 20 CHED C=CCCN(C)Cc1ccc(Cl)nc1C(F)(F)F 787310852 HZARWFHAMFLACZ-UHFFFAOYSA-N 278.705 3.762 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cc(C)on2)c1 788642017 GQYZPQJBAXYRBS-HIFRSBDPSA-N 299.374 3.515 30 20 CHED Cc1ncc(NC[C@H](C)CCC#N)c(C)c1Br 896665062 BJENTSVUJCXNPV-SECBINFHSA-N 296.212 3.813 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc(O)c(Cl)c1 782288500 PQXKOFFBBVZUKF-ZDUSSCGKSA-N 266.772 3.548 30 20 CHED CC1(C)CC(CNC(=O)c2cnccc2C#N)CC(C)(C)C1 1130921516 PMIJCRGUKVQSPF-UHFFFAOYSA-N 299.418 3.536 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1ccnc(O)c1 790288951 YIHOWZRRZZFOIR-UHFFFAOYSA-N 296.157 3.930 30 20 CHED COCC[C@@H]1CCCC1=NNc1cc(F)cc(F)c1 799875847 FOYDTKLGJLKKCY-JTQLQIEISA-N 268.307 3.569 30 20 CHED C=CCC(C)(C)C(=O)OCc1nccn1-c1ccccc1 796462144 FOOFPCBLUDTTKL-UHFFFAOYSA-N 284.359 3.518 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H]1CCc2ccccc21 1205650686 RCGZDFUGLBMIAW-FXAWDEMLSA-N 288.394 3.865 30 20 CHED CC[C@H](C)n1ncc(Nc2snc(Cl)c2C#N)c1C 790809423 YFUOUJUTUONBOQ-ZETCQYMHSA-N 295.799 3.888 30 20 CHED COc1ccc(C=NN2CCC(C(C)(C)C)CC2)s1 790178761 KHYIUOWPPMNAJL-UHFFFAOYSA-N 280.437 3.849 30 20 CHED CC(=NNc1cncnc1)[C@H](C)c1ccc(Cl)cc1 794979413 ZDXPKRQFOBRFBN-JTQLQIEISA-N 274.755 3.722 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)NCC1(CC#N)CC1 575047522 ULYVCMJUCVDEMT-CQSZACIVSA-N 262.397 3.569 30 20 CHED N#Cc1cc(N2CCC[C@@H](C3CCCCC3)C2)ccn1 708374453 PLHMOMYMVSARKE-OAHLLOKOSA-N 269.392 3.750 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C)c(C#N)c1 799344009 QGUINRYYXLFYEK-WMLDXEAASA-N 284.403 3.908 30 20 CHED COC1(C=NNc2ncc(Cl)cc2Cl)CCCC1 790146253 QGQBOIQYJTXKHU-UHFFFAOYSA-N 288.178 3.745 30 20 CHED COCCCON=C(CCc1ccccc1)C(C)C 795055390 LMHQFTXHUQDIEH-UHFFFAOYSA-N 263.381 3.684 30 20 CHED N#Cc1ccc(NCc2ccoc2)c(C(F)(F)F)c1 63047074 PTTFECGNMDKROJ-UHFFFAOYSA-N 266.222 3.782 30 20 CHED Cc1ccc(C2CC(=NNc3cccc(F)n3)C2)cc1 795010242 YVLBPICRKGTFGA-UHFFFAOYSA-N 269.323 3.875 30 20 CHED CSc1cccc(COC(=O)c2ccc(CC#N)cc2)c1 797067584 FSEHGRHTXJHDRW-UHFFFAOYSA-N 297.379 3.832 30 20 CHED C=CCCC(C)(C)NCc1cccc(OC)c1OC 657805149 LSKNYPUIBGYGNF-UHFFFAOYSA-N 263.381 3.538 30 20 CHED Cc1cc(Cn2nc(Cl)c3ccccc32)ccc1C#N 783043705 WDBOXZGLZRJNKI-UHFFFAOYSA-N 281.746 3.918 30 20 CHED CC1CCC(N(C[C@@H](O)c2cccc(C#N)c2)C2CC2)CC1 1307419146 TVMFRBUVSIXVAI-ITXXBFQVSA-N 298.430 3.635 30 20 CHED C=C(Br)CN[C@H]1CCC[C@H]1Cc1ccccc1 1307689375 BGPCEJBUZGFXIB-GJZGRUSLSA-N 294.236 3.896 30 20 CHED Cc1c(C#N)cccc1NC(=O)C(C)(C)Oc1ccccc1 1319286254 IXJUHTSRRCKONO-UHFFFAOYSA-N 294.354 3.663 30 20 CHED COc1cc(C#N)ccc1CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 1171190095 POSHOJCCENRKCN-YCPHGPKFSA-N 286.419 3.871 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cccc(CC(C)C)c1 1321857444 NPVYYTVMGLPBNB-WMLDXEAASA-N 261.409 3.737 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CC2(C)C)n1 1655119942 NJFPKGNLFHBFSR-LBPRGKRZSA-N 257.381 3.709 30 20 CHED C=C(C)CNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1324228223 PKKHRELALGRPFE-UHFFFAOYSA-N 271.404 3.708 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1csc(-c2ccco2)n1 1323458852 WYOFTPOXUDWSQD-LLVKDONJSA-N 290.388 3.878 30 20 CHED CCOC(=O)c1sc(SCC(C)(C)CC#N)nc1C 1329533345 ZJAWFFKWKSCYGF-UHFFFAOYSA-N 298.433 3.660 30 20 CHED CC[C@H](OC(=O)CC#Cc1ccccc1)c1ccc(F)cn1 1323491198 QLPAJJBELJUXIY-KRWDZBQOSA-N 297.329 3.657 30 20 CHED CC[C@H](CCc1ccccc1)N=c1cc(C)[nH]cc1C#N 1187044425 JSSZDPZILPCNOM-QGZVFWFLSA-N 279.387 3.507 30 20 CHED Cn1cc(NN=Cc2ccc(-c3ccccc3)s2)cn1 1321953385 CZDHZFSVLAILJV-UHFFFAOYSA-N 282.372 3.595 30 20 CHED N#Cc1ccnc(/C=C/C=C/c2ccccc2[N+](=O)[O-])c1 1256728263 FMBVJNPPMBBYIY-JGOQQPJWSA-N 277.283 3.588 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2-n2ccnc2)CC1 1333994380 OFXMAUSNNBLCQN-UHFFFAOYSA-N 281.359 3.557 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@H](F)C1 1332339430 JJVYZHFDTRZZJL-ZOBUZTSGSA-N 272.367 3.806 30 20 CHED C=C(C)CCC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 1337254476 UHIBDAKMXPYPNU-UHFFFAOYSA-N 297.320 3.988 30 20 CHED CCCCCCCCC(=O)NCc1ccnc(C)c1 1261266756 RBEKVRSIUGAOLM-UHFFFAOYSA-N 262.397 3.757 30 20 CHED CCOc1cccc(F)c1CNc1ccc(CC#N)cc1 1199515095 YGQOTFDZRGXAAL-UHFFFAOYSA-N 284.334 3.903 30 20 CHED CCC[C@@H]1CCCN1C(=O)N[C@H]1CCc2cc(C#N)ccc21 1348772794 SRNKJQQUFDUVKV-WBVHZDCISA-N 297.402 3.520 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Cl)cc1NC(C)=O 1346799753 WYUACYLCKJBVLH-UHFFFAOYSA-N 280.755 3.593 30 20 CHED C=C[C@](C)(CC)c1nnc(-c2ccc(OC)c(OC)c2)o1 1346639226 PIOOAZAYYPOVFH-MRXNPFEDSA-N 288.347 3.608 30 20 CHED N#CC[C@H](OC(=O)[C@@H]1CSc2ccccc21)c1ccco1 1345548819 XYDFHYCUWSFRQT-OCCSQVGLSA-N 299.351 3.667 30 20 CHED N#Cc1sc(NC(=O)C23CCC(CC2)CC3)nc1Cl 1354967314 DCOAKGNRMRACGA-UHFFFAOYSA-N 295.795 3.577 30 20 CHED N#Cc1ccc(F)cc1CSc1ccc2c(c1)CCO2 1459125165 JCZFZYPRKKPJIN-UHFFFAOYSA-N 285.343 3.925 30 20 CHED N#Cc1ccc(F)c(NC(=O)Cc2ccccc2Cl)c1 1528040400 HZULBBVVMMNQGY-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CCN(CC)CCC[C@H](C)Nc1ccc(F)cc1C#N 111026526 ASPVWGAJQSUPLI-ZDUSSCGKSA-N 277.387 3.620 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(F)cc2)cc1Cl 1602382705 XWOMFBDDESRQOK-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CSc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1C(=O)O 1607409732 QXZOFHBWBLBYIT-QWRGUYRKSA-N 290.388 3.601 30 20 CHED Cc1cocc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1532867564 GOGIDLXEMBVJIS-UHFFFAOYSA-N 294.232 3.731 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CC[C@H](c3ccccc3)C2)C1 1474591356 GYRIQROZXRJIPT-LLLHUVSDSA-N 254.377 3.605 30 20 CHED N#Cc1ccc(S[C@@H](C#N)CCc2ccccc2)nc1 1613472882 OJAQLXJPJBWEJB-OAHLLOKOSA-N 279.368 3.570 30 20 CHED CCC1(CNC(=O)Nc2cc(C)cc(C#N)c2)CCCC1 1625598344 ILJMHQFCOPYMKY-UHFFFAOYSA-N 285.391 3.959 30 20 CHED C=C(Cl)CNC(=O)c1ccccc1CC(C)(C)C 1629552048 IVXBLPFZYMFCJE-UHFFFAOYSA-N 265.784 3.758 30 20 CHED CC(C)C[C@H]1CCCCN1CCOc1cccc(C#N)c1 1559624848 CRVNOBFBJJDWLZ-QGZVFWFLSA-N 286.419 3.838 30 20 CHED Cc1nc(SCc2cccc(F)c2F)ccc1C#N 1643171896 CMQZDHOBWIRBTK-UHFFFAOYSA-N 276.311 3.832 30 20 CHED Cc1cc(C#N)nc(N2C[C@@H](C(C)(C)C)c3ccccc32)n1 1651800679 BQDVGRRYJLHAMU-OAHLLOKOSA-N 292.386 3.938 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCC[C@H]1C(C)(C)C 1583670910 JSLNOXYZKDVMCH-CVEARBPZSA-N 284.403 3.811 30 20 CHED C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)C1CCCCC1 1584409681 UKGPVNDEZZUNHH-PBHICJAKSA-N 284.403 3.769 30 20 CHED COC(=O)c1cccc(CSc2ccc(C#N)c(C)c2)c1 1652058058 DFKXBLHQXUCJOR-UHFFFAOYSA-N 297.379 3.946 30 20 CHED CC1(CNN=Cc2cc(C(=O)O)ccc2Cl)CCCC1 1594027273 DDCMVUWYDJOAEP-UHFFFAOYSA-N 294.782 3.542 30 20 CHED Cc1cccc2c1N(C(=O)Nc1ccc(C#N)c(F)c1)CC2 1672079683 CTZKMLAKSXMOJK-UHFFFAOYSA-N 295.317 3.600 30 20 CHED O=C(O)c1ccc(F)c(/C=C/C(=O)c2cccc(F)c2)c1 1776129746 UVLBBTZWVSDRHB-FNORWQNLSA-N 288.249 3.559 30 20 CHED CSc1ccc(NCc2cccc(C#N)c2)cc1C(=O)O 1777405424 FTJMVGAKRGYMEA-UHFFFAOYSA-N 298.367 3.590 30 20 CHED CC(=O)c1ccc(Cl)c(NC(=O)c2cccc(C#N)c2)c1 150797891 HLLVGOUUIZGTEJ-UHFFFAOYSA-N 298.729 3.667 30 20 CHED C=CCN(Cc1cccs1)Cc1cc(F)ccc1C#N 158228476 WNZSMCUUXWDHQH-UHFFFAOYSA-N 286.375 3.947 30 20 CHED COc1ccccc1OCCSc1cccc(C#N)c1 158734083 NJLSRANNNMPZOP-UHFFFAOYSA-N 285.368 3.738 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Cc1cccc(Cl)c1 152281588 OWHONLLUOKUASQ-VXGBXAGGSA-N 265.784 3.599 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1Cl 153475542 JMIXSWMRLYMYFO-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(CCC#N)Cc2cccnc2)C1 154016651 ZAQYWGGTMAGLFC-JKSUJKDBSA-N 299.418 3.540 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(-n2cccc2)cc1 154226514 UWTBEFWLTVWSCG-OAHLLOKOSA-N 282.343 3.572 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCCC1(C)C 156707353 ZVZYOUDFPBSSFK-INIZCTEOSA-N 299.418 3.668 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)c1c(C)noc1C 156787806 IJFRIDCFCNZWBA-LBPRGKRZSA-N 278.396 3.600 30 20 CHED C=CCCCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C 156842991 LCVATCIIEHZSSA-UHFFFAOYSA-N 290.363 3.722 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc2c(c1)CCO2 806177475 AXDRCNQGWFUFAR-CYBMUJFWSA-N 272.392 3.602 30 20 CHED Cc1ccnc(N(C)[C@H](C)c2ccccc2F)c1C#N 135076774 NLFLCKBWEHVTPR-GFCCVEGCSA-N 269.323 3.598 30 20 CHED CC1(C)CCC[C@@H](NCc2ccc(C#N)cc2F)C1 158903848 YNZLGLQNXSRXBD-CQSZACIVSA-N 260.356 3.756 30 20 CHED Cc1ccccc1CNc1cccc(OCC#N)c1 37069487 AJGDFUDHOSNAFE-UHFFFAOYSA-N 252.317 3.510 30 20 CHED N#C[C@@H](NC(=O)c1cccc(Cl)c1)C1CCCCC1 40360030 SPEQYTUPFBTXHC-CQSZACIVSA-N 276.767 3.542 30 20 CHED C[C@H]1CC(C)(C)C[C@@H]1NCCc1cccc(C#N)c1 466423149 BYEORDFTJAWHHT-BBRMVZONSA-N 256.393 3.515 30 20 CHED C[C@@H]1CCC[C@@H](CNCCc2cccc(C#N)c2)C1 466409940 NKUMZMUZALVEDN-RHSMWYFYSA-N 256.393 3.517 30 20 CHED CC(C)OCCCNc1ccc(C#N)c(C(F)(F)F)c1 301747633 ZHZFTRINPGXGDY-UHFFFAOYSA-N 286.297 3.804 30 20 CHED CSc1ccc(OCCOc2cccc(C#N)c2)cc1 70160615 SZHANJRSNFMCOR-UHFFFAOYSA-N 285.368 3.738 30 20 CHED N#Cc1cc2ccccc2nc1NCC1CCCC1 71385761 FOMMOYKTNNJCCQ-UHFFFAOYSA-N 251.333 3.709 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)CC(C)(C)C#N 405136238 QIBKRQBIPQLCIE-LLVKDONJSA-N 250.773 3.883 30 20 CHED Cc1nc(N2CCCC[C@@H](C)C2)c(Cl)cc1C#N 461939871 YOEQBIJNKWGOSJ-SNVBAGLBSA-N 263.772 3.542 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1ccnc(C#N)c1 612463197 BTXZNSVWHQMSGD-XYPHTWIQSA-N 271.408 3.504 30 20 CHED C[C@@]1(F)CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 346697784 GWPSJGUDYRLAPY-GFCCVEGCSA-N 272.245 3.515 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CC=C(C)CC1 552117506 MZHODDSDLGQDGQ-MRXNPFEDSA-N 257.377 3.840 30 20 CHED Brc1ccoc1C=NOCc1ccccc1 735227784 ZATUPSWIBULKDW-UHFFFAOYSA-N 280.121 3.593 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)N(C)Cc1ccccc1 853784048 VZFJUAAJLDSCPP-GFCCVEGCSA-N 283.824 3.519 30 20 CHED C=C[C@@H](C)NCc1ccc(NC(=O)OC(C)(C)C)cc1 877086969 CZNNXSCGTJAAOD-GFCCVEGCSA-N 276.380 3.698 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccccc1SC 285866067 HPNOUNDCHCWEAK-IAQYHMDHSA-N 276.405 3.526 30 20 CHED C[C@H]1C[C@@H](C)CCN(Cc2cc(F)ccc2C#N)C1 443649813 HCTVXQZEJVAZBT-STQMWFEESA-N 260.356 3.565 30 20 CHED C=CCOc1ccccc1CNCc1ccccc1 6313057 HREZXFCAUCIQQM-UHFFFAOYSA-N 253.345 3.541 30 20 CHED N#Cc1cc(Cl)ccc1N1CCc2sccc2C1 52859498 VYEFHIYGMYJHGA-UHFFFAOYSA-N 274.776 3.836 30 20 CHED CSc1ccc(Oc2nc(C)ccc2C#N)cc1 110981872 KKBQBYLFVWMLJM-UHFFFAOYSA-N 256.330 3.776 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2cccc(F)c2)cc1 28495439 HUFBYHCXCYSHGU-DHZHZOJOSA-N 269.319 3.788 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C(F)(F)c1ccccc1 170898818 VZVHCZBWGLFOCU-UHFFFAOYSA-N 294.345 3.567 30 20 CHED N#CC1(CNCc2cscc2C(F)(F)F)CCC1 418143023 OBLFUCOBPKXDEY-UHFFFAOYSA-N 274.311 3.550 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3ccc(Cl)nc3)cnc12 179413186 YFRHUOHNZFUKRZ-AATRIKPKSA-N 297.745 3.587 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)C 108238215 GIHJXUZUOLCSQG-NSHDSACASA-N 276.405 3.923 30 20 CHED C=CCN(Cc1cccs1)Cc1ccncc1Cl 173460487 VZHLVHXAOBKQOI-UHFFFAOYSA-N 278.808 3.985 30 20 CHED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CC1 24592576 BCWNEUPAAZXKGL-UHFFFAOYSA-N 294.379 3.602 30 20 CHED CC(C)n1ccc(CSCc2cc(C#N)ccc2F)n1 172042158 FMHOFQBFRWPRLX-UHFFFAOYSA-N 289.379 3.908 30 20 CHED CCCCCCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 113179031 MWMSNFXQFPNFFB-CQSZACIVSA-N 278.783 3.991 30 20 CHED CC[C@H](C#N)NC(=O)C1(c2cccc(C)c2)CCCCC1 179242752 OKQOTSQELJCVIS-MRXNPFEDSA-N 284.403 3.615 30 20 CHED CCCC(C)(C)NC(=O)Nc1cc(C#N)ccc1C 172151957 NHQBYTMJNZRQAE-UHFFFAOYSA-N 259.353 3.567 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccc2c(c1)CCC2 64891707 SDHKUSNXCSFSRL-UHFFFAOYSA-N 274.433 3.770 30 20 CHED CC(C)(CNCc1ccc(C#N)o1)c1ccc(Cl)cc1 174295829 AEWIUVMPYJQJIU-UHFFFAOYSA-N 288.778 3.872 30 20 CHED C=CCCCS[C@@H](C)C(=O)NCc1ccc(F)cc1 117945075 CAJVVNCLNGVJST-LBPRGKRZSA-N 281.396 3.530 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@H]2CCCC(C)(C)C2)n1 179376109 GVFDUSIMMQWYFO-RYUDHWBXSA-N 276.405 3.844 30 20 CHED C[C@H]1CCC[C@@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301430716 VJSRUBXVNRQEPC-HZMBPMFUSA-N 296.330 3.615 30 20 CHED C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(CC#N)c1 172395389 AYZJTTRIJVTDSW-LXZKKBNFSA-N 282.387 3.546 30 20 CHED C=CCC[C@@H](NC(=O)NCCCCC#N)c1ccccc1 178934803 BLGLGUOCMYDSIV-MRXNPFEDSA-N 285.391 3.687 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1ccc(C#N)c(F)c1 404846433 OSQGDDFPOUMMDV-CYBMUJFWSA-N 298.361 3.865 30 20 CHED N#Cc1cccc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)n1 301369688 SEPJZMUMOYNZEY-UONOGXRCSA-N 269.735 3.575 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1CCc1ccccc1 179780540 CDSTVODGWYVJBC-SFHVURJKSA-N 283.415 3.804 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(C#N)cc1 63238135 BRPKULGOFKXASR-LBPRGKRZSA-N 282.318 3.531 30 20 CHED Cc1ccc(F)c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 175758197 NZFUWDBCASQOCP-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CCOc1ccc(CNc2cccc(C#N)c2)cc1OC 20090119 AAWPXKGWBKSZCG-UHFFFAOYSA-N 282.343 3.578 30 20 CHED CCOCCCNc1c(C#N)cnc2c(C)cc(C)cc12 301338622 HNPFFRDMCLMQDB-UHFFFAOYSA-N 283.375 3.562 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)c2c(F)cccc2F)c1 121346202 CQTZIDBCLXGRMX-LBPRGKRZSA-N 299.320 3.713 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ccc(C#N)cc2[N+](=O)[O-])cc1 303663230 YXZCTRDDNPJDKI-CYBMUJFWSA-N 295.342 3.972 30 20 CHED Cc1ccc2c(CC(=O)Nc3ccccc3C#N)coc2c1 68233282 LHDFQGOIMJAQDS-UHFFFAOYSA-N 290.322 3.794 30 20 CHED C[C@H](NCCCCC#N)c1cc(Br)ccc1F 178646525 JUINKOLXJZRRCG-JTQLQIEISA-N 299.187 3.933 30 20 CHED C=C(Cl)CNCc1cc(Cl)c(OC)cc1Cl 126080282 FNKJPWADFXHMEZ-UHFFFAOYSA-N 280.582 3.844 30 20 CHED C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 122774699 GUBYZDYZPHHFDN-JKIFEVAISA-N 299.418 3.839 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1C 182631583 ITBZIHYTMDUODC-CQSZACIVSA-N 297.402 3.655 30 20 CHED CCc1cccc2c(CCNc3ncccc3C#N)c[nH]c12 301286732 VQLFUSSVKZOQDW-UHFFFAOYSA-N 290.370 3.652 30 20 CHED CC1CCN(c2ccc(Nc3ccc(C#N)cn3)cc2)CC1 301073944 KCUWNBDDYYQSQA-UHFFFAOYSA-N 292.386 3.933 30 20 CHED CCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1 181725665 XRAWFIURKWCWOU-CQSZACIVSA-N 295.386 3.593 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 214479565 KYEFWIWFMHSNFV-WEVVVXLNSA-N 283.283 3.505 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1ccc(Cl)cc1Cl 35678148 JRKPGJDYFBUOPY-UTCJRWHESA-N 295.169 3.931 30 20 CHED CCC[C@H](C(=O)N(C)c1cccc(C#N)c1)C(C)C 121488268 YCPOUYTWQYISQY-HNNXBMFYSA-N 258.365 3.593 30 20 CHED CCN(CCc1scnc1C)[C@@H](C)c1ccc(C#N)cc1 74350228 VHUHSFJILXHRLP-AWEZNQCLSA-N 299.443 3.949 30 20 CHED CC[C@H](CC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 505021119 PRVMSTQWSUPJMD-HUUCEWRRSA-N 272.392 3.578 30 20 CHED C[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 123960248 VRAYGUXBFJGSFQ-JTQLQIEISA-N 277.755 3.618 30 20 CHED C=CCC1(C(=O)N[C@H](C#N)C(C)(C)C)CCCCC1 410876810 NCKBIAJSVFUTDP-CYBMUJFWSA-N 262.397 3.567 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccccc1OC(C)C 182623689 RRFQODVXEQYSBT-OAHLLOKOSA-N 289.419 3.877 30 20 CHED C[C@@H](CCC#N)N1CCC(Cc2ccccc2F)CC1 411257600 KOZJCCUXJVKKGB-AWEZNQCLSA-N 274.383 3.772 30 20 CHED C=C(C)COc1cc(CNC[C@@H]2CC23CC3)ccc1OC 418100497 REGWPDVPRXCXEQ-HNNXBMFYSA-N 287.403 3.540 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1=CCCCC1 416093841 DXDUQMAECGSITC-KRWDZBQOSA-N 280.371 3.552 30 20 CHED N#Cc1csc(CNc2c[nH]nc2-c2ccccc2)c1 184751801 RDVUNVVNEUJAGB-UHFFFAOYSA-N 280.356 3.622 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SC(CC)CC 131767771 SIUILGJPJACCTK-LBPRGKRZSA-N 257.443 3.721 30 20 CHED C=CC[C@H](C(=O)N1CCCC2(CC2)C1)c1ccccc1 188272329 HVTAVKJAOYZOBL-INIZCTEOSA-N 269.388 3.749 30 20 CHED CC(C)(C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 48463151 FAUSMXLHESYECN-UHFFFAOYSA-N 278.355 3.669 30 20 CHED N#CCCCCN(CCc1cccc(F)c1)C1CC1 72977819 DAFBCDORFIGKBR-UHFFFAOYSA-N 260.356 3.526 30 20 CHED CSCC[C@](C)(C#N)NC(=O)C(CC(C)C)CC(C)C 410850578 DIVLCGNSVFFYFW-MRXNPFEDSA-N 298.496 3.846 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)cc1SC 417228416 RQMYYHORHKGNIK-UHFFFAOYSA-N 264.394 3.757 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N1CCCc2cc(C#N)ccc21 411003597 UGYAXUWTCVDRRU-UKRRQHHQSA-N 282.387 3.664 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccccc1COC 44550952 CFIHRQOXCZROIT-UHFFFAOYSA-N 297.354 3.650 30 20 CHED C=C(Cl)CNCC1CCC(C(F)(F)F)CC1 381504996 RSQXZYBVGNEUHG-UHFFFAOYSA-N 255.711 3.697 30 20 CHED N#CCC[C@@H](NCc1cccs1)c1ccccc1 130405797 JWVKXIYVBGRIPG-OAHLLOKOSA-N 256.374 3.883 30 20 CHED CC(C)(C#N)CCOc1ccc(OCC2CC2)cc1 410313980 ZMXOZHMGKPGFSV-UHFFFAOYSA-N 259.349 3.794 30 20 CHED CC(C)N(CCC1(C#N)CCCCC1)CC(F)F 411317617 CNOALGIOYXHQQI-UHFFFAOYSA-N 258.356 3.826 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CCC1 191848566 CNVNXWJMHKDLAN-GJZGRUSLSA-N 261.409 3.914 30 20 CHED C[C@H]1C[C@H](N/C(O)=N/[C@H](C)CCC2CCCCC2)CCO1 329128786 ZTQXYDVKCAQFTK-IJEWVQPXSA-N 296.455 3.807 30 20 CHED C=CCCCCCN(C)Cc1ccncc1Cl 173787731 VNFZUWBQMMPYTJ-UHFFFAOYSA-N 252.789 3.913 30 20 CHED C=CCNC(=O)CCCSc1ccc(Cl)cc1 45479897 VKSYOCUQPDFCIU-UHFFFAOYSA-N 269.797 3.515 30 20 CHED N#CCSCCCN1CCC[C@@H]1C1CCCCC1 173869169 YSSMJJOPJZTHHE-OAHLLOKOSA-N 266.454 3.678 30 20 CHED C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCC(C)(C)CCC#N 130873175 DILDRRSFNHVWOO-XJKSGUPXSA-N 292.398 3.557 30 20 CHED Cc1ccc(/C=C2/COc3c(C)cccc3C2=O)cc1 48985574 URDVJLLUNIJQGV-GDNBJRDFSA-N 264.324 3.962 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc(C3CCC3)cc2)C1 192263141 NVKONJWWRFAJCX-WBMJQRKESA-N 269.344 3.803 30 20 CHED C[C@H](N[C@@H]1CCCc2occc21)c1ccc(OCC#N)cc1 192955771 WWFDKLUPKHUWLX-SUMWQHHRSA-N 296.370 3.910 30 20 CHED N#Cc1ccccc1COc1cc(F)ccc1Cl 381020081 WZHHZNGPHQASTG-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=C(C)CNC(=O)c1cnc2ccccc2c1C(F)(F)F 428106983 LTPWGTHEIPDNGN-UHFFFAOYSA-N 294.276 3.560 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnc([C@H](C)CC)nc1 424806712 DFRGLIMOEWZARL-LLVKDONJSA-N 261.369 3.531 30 20 CHED CCCCCCCCS(=O)(=O)Cc1csc(C)n1 190919751 TXQPJRJYZAORNO-UHFFFAOYSA-N 289.466 3.727 30 20 CHED C[C@@H]1[C@@H](NCCCC2(C#N)CCOCC2)CCC[C@H]1C 337201847 GHYIJKFHDIRXCH-PMPSAXMXSA-N 278.440 3.501 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 424567035 JHBIPXDNCLGPRX-KSSFIOAISA-N 296.414 3.876 30 20 CHED COc1cccc(CN[C@H](CCC#N)c2ccccc2)c1F 192703075 YYNCERXDNPHZFK-MRXNPFEDSA-N 298.361 3.969 30 20 CHED C=CCC(C)(C)c1nc([C@H](C)c2nccs2)no1 424357421 WTYMZZPLBYMKCI-VIFPVBQESA-N 263.366 3.532 30 20 CHED CC(C)c1ncncc1/C(O)=N/CCCC1CCCC1 330522320 OPRNDTMEHDHDKW-UHFFFAOYSA-N 275.396 3.875 30 20 CHED N#Cc1cc(C(=O)N2CCCC3(CCCCC3)CC2)ccn1 194299197 XMTBPYUBRKSCPB-UHFFFAOYSA-N 297.402 3.530 30 20 CHED CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 331737752 VUKXFCQYTIYXFU-LZWOXQAQSA-N 297.402 3.648 30 20 CHED COC1CCC(Nc2ccc(C#N)cc2Cl)CC1 234581670 VGQFLVAHBXDWPZ-UHFFFAOYSA-N 264.756 3.581 30 20 CHED CC(C)(C#N)CC(=O)N1CC[C@@H](c2ccccc2)C1(C)C 335013828 KTAPARBAVGGMIV-HNNXBMFYSA-N 284.403 3.721 30 20 CHED CC[C@H](N/C(O)=N/C[C@@H]1CCCO[C@H]1C(C)(C)C)C(C)C 330794938 AKMOZAQTWWWWPI-SOUVJXGZSA-N 298.471 3.766 30 20 CHED C#CCCCC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 192108365 ANBLQVPKPIHQSX-UHFFFAOYSA-N 282.343 3.700 30 20 CHED Cc1ccc(F)c(/C(O)=N/[C@@](C)(C#N)CC(C)C)c1 330461235 LOENIPYXMDPYGA-OAHLLOKOSA-N 262.328 3.767 30 20 CHED CC1(C)SC[C@@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 338794430 PMXOHZUIHISYTC-CVEARBPZSA-N 286.444 3.809 30 20 CHED N#C[C@]1(C(=O)NCCC2CCCCC2)CC12CCCC2 333176519 LOLMVNPOUPMCCB-KRWDZBQOSA-N 274.408 3.547 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)on1 334737286 DORRPVAJDQIOFR-UHFFFAOYSA-N 289.722 3.575 30 20 CHED N#CC1(C(=O)NC[C@@H]2CCCCC(F)(F)C2)CCCCC1 332317626 NWXGDEXCSCVCGE-CYBMUJFWSA-N 298.377 3.792 30 20 CHED C=CCCC(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 421619908 LKAFRHRWFODMNO-KRWDZBQOSA-N 275.367 3.716 30 20 CHED CC[C@H](NCCCC1(C#N)CCOCC1)C(C)(C)C 337179963 LPMRVKGDRRMZMW-AWEZNQCLSA-N 266.429 3.501 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCC(C)(C)C1 425477256 CAQRNSGGQXTJRE-CZUORRHYSA-N 299.418 3.839 30 20 CHED CCN(C)Cc1cccc(CNc2ccc(F)cc2C#N)c1 91457249 OUSHPKBNUFTGGU-UHFFFAOYSA-N 297.377 3.761 30 20 CHED N#Cc1ccncc1N[C@H]1C[C@H]1c1c(F)cccc1Cl 94164795 NYYCRBHNKRSIGQ-MFKMUULPSA-N 287.725 3.714 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@H]1Cc1ccccc1 436303974 DEFAVRAQUGIIPZ-NMLBUPMWSA-N 299.458 3.969 30 20 CHED CCN(Cc1cc(C)ccc1OC(F)F)C[C@H](C)C#N 91984034 RTLMMTNTSPEDOM-GFCCVEGCSA-N 282.334 3.578 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C#N)s2)c2ccccc21 336584734 YSMORHBXEDDXLF-NSHDSACASA-N 282.368 3.774 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@@H](CC)C1 435742753 OKHXHGAFLNSDKR-FPCVCCKLSA-N 251.414 3.526 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 95953417 YHHDHTWRGKJYOF-HZSPNIEDSA-N 298.411 3.843 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccc(Cl)o1 92504204 HCISACMHJUKMPH-UHFFFAOYSA-N 286.762 3.993 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cc(COC)cc(C(=O)OC)c1 430199169 BCYADANXAZSKPY-STQMWFEESA-N 291.391 3.632 30 20 CHED CC(C)(C#N)CNC(=O)Nc1ccc(Cl)cc1Cl 336121576 LBBPGNCMEQBCPF-UHFFFAOYSA-N 286.162 3.665 30 20 CHED C=CC(C)(C)CNC(=O)c1cccc(Br)c1C 385024997 JAYFFNNSDFNIIM-UHFFFAOYSA-N 296.208 3.700 30 20 CHED COc1ccc(CNc2ccc(C#N)cc2F)c(C)c1 532488244 PYCKUJOQUYRDJL-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1cccc(CSCc2nccs2)c1F 340858657 YYZFLIDMYRXXIM-UHFFFAOYSA-N 264.350 3.587 30 20 CHED CCCCCCCC(=O)NC[C@H]1COc2ccccc2C1 248264625 NTLCFVXDJBNNAY-HNNXBMFYSA-N 289.419 3.714 30 20 CHED CCc1ccc([C@@H](NC(=O)NCCCC#N)C(C)C)cc1 344004456 ZKJYOTMDDVUASI-INIZCTEOSA-N 287.407 3.549 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccncc1F 340308580 JAIPPZHAXJHHGM-DYVFJYSZSA-N 283.350 3.916 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1ccc(CC(C)C)cc1 522643428 YETANHXBTOWLOR-CQSZACIVSA-N 259.393 3.508 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@H]2CCc3ccccc32)no1 346553572 ZLUJYYITKNMDFS-MAUKXSAKSA-N 298.386 3.628 30 20 CHED C[C@H](N[C@H]1CCCC[C@H]1n1cccn1)c1ccc(C#N)cc1 245835910 COXGSNYYBRAMGG-JCGIZDLHSA-N 294.402 3.589 30 20 CHED C/C(Cl)=C/CN1CCC(Oc2cccc(C#N)c2)CC1 528371489 IQYDODPKBCTKGQ-ACAGNQJTSA-N 290.794 3.544 30 20 CHED Cc1cccc(C)c1OCCOc1ccc(C#N)c(F)c1 521804813 WEHPJCMZWLNYMS-UHFFFAOYSA-N 285.318 3.772 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H]1C1CCC1 342836915 CGYIQQQNFWUYOJ-MRXNPFEDSA-N 279.424 3.541 30 20 CHED C[C@H](CC(=O)N(CCC#N)Cc1ccco1)c1ccccc1 248179228 XQXZHJRWVMDWHO-OAHLLOKOSA-N 296.370 3.716 30 20 CHED N#Cc1cccc(-c2nnc(CSC3CCCC3)o2)c1 341802476 QYESXEJWWCPAJD-UHFFFAOYSA-N 285.372 3.784 30 20 CHED CC(C)Oc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 430757616 WVRKQKKUOHECMU-AWEZNQCLSA-N 272.392 3.818 30 20 CHED COc1ccc(CC[C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 248782417 IBKJHQTWQPHECL-UAGQMJEPSA-N 286.419 3.688 30 20 CHED COCc1cccc(CNc2ccc(Cl)cc2C#N)c1 52857382 XRLJKOCFLXLMBZ-UHFFFAOYSA-N 286.762 3.970 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC1(CC#N)CC1 602778679 JYSAWXGPMTZZMC-HIFRSBDPSA-N 272.367 3.697 30 20 CHED CCOc1ccccc1CCNc1cccc(F)c1C#N 609039171 RVLHJEXTPYXIEL-UHFFFAOYSA-N 284.334 3.751 30 20 CHED C[C@@H](C(=O)NC(C)(C)C#N)c1c(Cl)cccc1Cl 608783165 NFBVCJRTMOPLKD-MRVPVSSYSA-N 285.174 3.515 30 20 CHED O=C1/C(=C\c2cn3cc(Cl)ccc3n2)Cc2ccccc21 255758875 ZYQKRDDYMAMBGZ-WQLSENKSSA-N 294.741 3.810 30 20 CHED CC1CCC(CC(=O)N(C2CC2)C2(C#N)CCC2)CC1 341613098 XTVKTEOFUNKXJK-UHFFFAOYSA-N 274.408 3.640 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCC[C@@H]1CC 181103205 MWUIJXLYPFKONY-KGLIPLIRSA-N 252.402 3.705 30 20 CHED COc1cccc(C=Nc2cc(C#N)ccc2Cl)c1O 255553630 QTBJCHWDQXOGGH-UHFFFAOYSA-N 286.718 3.676 30 20 CHED N#Cc1c(CSc2cccc(O)c2)cn2ccccc12 130916852 BDLMZZQXZBVUFJ-UHFFFAOYSA-N 280.352 3.809 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(F)cc(F)c2)c1 255110017 HRJDNCKWDOJFIM-WAYWQWQTSA-N 274.266 3.870 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N[C@@H]1CC[C@H](F)C1 340848447 JTLIMNIAWQCBKD-GXSJLCMTSA-N 291.276 3.687 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCCc2ccccc21 349382393 BQXAZWWJSHOOGK-SFHVURJKSA-N 298.430 3.895 30 20 CHED C=CCC(CC=C)C(=O)Nc1nnc(-c2ccco2)s1 343928485 BIJWHTRIEQEMHN-UHFFFAOYSA-N 289.360 3.505 30 20 CHED N#Cc1ccc(CNC23CC(c4ccccc4)(C2)C3)c(F)c1 603428564 JFNZLYMUDDEFJY-UHFFFAOYSA-N 292.357 3.661 30 20 CHED CCOCCC/N=C\c1cc(Cl)cc(Cl)c1O 255114514 RDEYWNDUXSUYKS-NVNXTCNLSA-N 276.163 3.545 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(OC)nc2)CCCCC1 448798115 LFAAXONRLMHYKF-UHFFFAOYSA-N 288.391 3.580 30 20 CHED Cc1cc(C#N)ccc1Oc1ncnc2cccc(F)c12 609560957 DWDYNCDQDSAZOF-UHFFFAOYSA-N 279.274 3.741 30 20 CHED CCN(CC)CCCC1CCN(C[C@H](C)CCC#N)CC1 602599386 IULKVSSYPGCAEM-QGZVFWFLSA-N 293.499 3.760 30 20 CHED N#Cc1ccc(C(F)(F)F)n(CCC2=CCCCC2)c1=O 603378707 VQGVCAJMPMGQAB-UHFFFAOYSA-N 296.292 3.629 30 20 CHED N#C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccncn1 354467169 KJKIIZYWJKBSEO-KRWDZBQOSA-N 299.333 3.634 30 20 CHED CCN(CC)CCCC1CCN(C[C@@H](C)CCC#N)CC1 602599385 IULKVSSYPGCAEM-KRWDZBQOSA-N 293.499 3.760 30 20 CHED N#CC1(CN[C@@H](c2ccccc2)C2CCCC2)CC1 540551882 STPWAKXMUCFUSV-INIZCTEOSA-N 254.377 3.811 30 20 CHED COc1ccc(F)cc1[C@@H](C)N[C@H](C#N)Cc1ccccc1 603955031 LZPHVBQXWLKPMX-CJNGLKHVSA-N 298.361 3.620 30 20 CHED C=CCCCCCOc1cccc(-c2ncnn2C)c1 447403951 HVYCIMFPYQBQAG-UHFFFAOYSA-N 271.364 3.607 30 20 CHED C=CCc1cccc(C(C)C)c1N[C@@H]1CCN(C2CC2)C1=O 352562594 LCXZGDFNCHBWPV-QGZVFWFLSA-N 298.430 3.714 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(Br)c(F)c1 602525829 SFLCQZBBZMWVRY-JTQLQIEISA-N 299.187 3.618 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 358912156 BIRXMJJBMMTBMH-NSHDSACASA-N 285.347 3.654 30 20 CHED C[C@H](NCCC(C)(C)C#N)C(C)(C)c1ccccc1 537413332 JNZKXHHAMCPYAQ-AWEZNQCLSA-N 258.409 3.882 30 20 CHED CCc1cccc2c1OCC[C@@H]2NC[C@H](C)CCC#N 602544297 OCLSMQXAYGKGJI-CJNGLKHVSA-N 272.392 3.602 30 20 CHED CCc1cc(C#N)ccc1OCc1nc2cccnc2s1 442111177 FEDFBDIOZODIDN-UHFFFAOYSA-N 295.367 3.704 30 20 CHED CCN(CC)Cc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442858205 OQBUXORQLMZBGF-WMLDXEAASA-N 271.408 3.633 30 20 CHED C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(CCCC(C)(C)C#N)C1 350160725 NTRLTCMUNCJJOQ-BRWVUGGUSA-N 291.483 3.654 30 20 CHED COc1ccc([C@H](C)NC2CCC(C)(C#N)CC2)cc1 449109215 XISZVDORIVFDQZ-KTAKPFMOSA-N 272.392 3.818 30 20 CHED CCSCCCN[C@@H]1CCCc2cc(C#N)ccc21 619724491 QLSYXCKEBAGEQP-MRXNPFEDSA-N 274.433 3.668 30 20 CHED C=CCC1(NC(=O)[C@H]2CCN(C)c3ccccc32)CCCC1 619108309 RMIRPSUXSOXGQM-INIZCTEOSA-N 298.430 3.615 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(-c2csc(C)n2)cc1 267300282 KBFHYFASIMCGFZ-UHFFFAOYSA-N 299.399 3.606 30 20 CHED Cc1ccc(C)c(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 447901633 HNRSPSCZVSGOEA-OALUTQOASA-N 298.430 3.731 30 20 CHED C[C@@H]1c2ccccc2OCCN1c1ccc(Cl)c(C#N)n1 610515406 JQTWRSOWLAAGFH-LLVKDONJSA-N 299.761 3.567 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](C)C1CC1 619691644 ONSQDPVVOPSTMD-CYBMUJFWSA-N 290.382 3.569 30 20 CHED CCc1ccccc1CN1CCC[C@]2(CCCCO2)[C@H]1C#N 447904980 LKDJVCOJNZHCNP-RTBURBONSA-N 298.430 3.676 30 20 CHED CN(CC#Cc1ccc(F)cc1)[C@H]1CCc2ccccc21 446816543 FYYSLWFQXCQRGF-IBGZPJMESA-N 279.358 3.797 30 20 CHED CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2C)C1(C)C 614400808 GOOVXUCXZRZLCN-IRXDYDNUSA-N 286.419 3.502 30 20 CHED C[C@@H](CC#N)NCc1ccc(-c2ccccc2C#N)cc1 611337735 QAIZKQZOFNXCEA-AWEZNQCLSA-N 275.355 3.617 30 20 CHED C=CCC1(C(=O)NCC2(c3ccccn3)CCC2)CCCC1 451741051 MWIGESCUDBFQCW-UHFFFAOYSA-N 298.430 3.756 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 537964575 VTXIPYRWRVLTGR-BYNSBNAKSA-N 253.430 3.770 30 20 CHED C=CC(C)(C)C(=O)N1CCc2ccc(C(C)C)cc2C1 617608930 MMTZACXWMLRDRY-UHFFFAOYSA-N 271.404 3.907 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(CC#N)c1ccccc1 534133875 ZKAOLZRSWAUFHT-CYBMUJFWSA-N 258.365 3.615 30 20 CHED CC(C)(CC#N)CNCc1ccc2c(c1)CCCC2 459728102 HUFRTXMJBKYRGL-UHFFFAOYSA-N 256.393 3.595 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(OC(C)(C)C)cn2)no1 453190593 UWOCAXCZBVRRSL-UHFFFAOYSA-N 287.363 3.773 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C(C)C)n2CC2CC2)C1 612693613 CDDNIZUSLXMCOW-CQSZACIVSA-N 288.439 3.604 30 20 CHED CC(C)Oc1cccc(CN(C)CCC(C)(C)C#N)c1 540667025 QRLCVRDPWTWXHJ-UHFFFAOYSA-N 274.408 3.845 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CC(=O)c3ccccc32)CCCC1 456508943 PTWUSUMDESDANR-MRXNPFEDSA-N 297.398 3.609 30 20 CHED C=CCC1(NC(=O)C2C[C@H](C)O[C@@H](C)C2)CCCCC1 456357853 AFMAFZJDFZCJFU-KBPBESRZSA-N 279.424 3.585 30 20 CHED N#CCC1(CNCc2cccc(-c3ccccn3)c2)CC1 366646451 SGVQFWYMGCVAFY-UHFFFAOYSA-N 277.371 3.532 30 20 CHED C=CCCC[C@@H](C)NC(=O)CNc1c(C)cccc1C 540535045 RRMZHUPBNJBFFS-OAHLLOKOSA-N 274.408 3.576 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nnc(C)n1CCC 279435420 YDIISRXEMFLZCG-UHFFFAOYSA-N 298.434 3.575 30 20 CHED C=CCCCc1nc(-c2cnc3ccsc3c2)no1 546422400 OPNKGROVDWGIHQ-UHFFFAOYSA-N 271.345 3.855 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc2ccccc2o1 453336919 GECFYIYPAKMXAE-YUELXQCFSA-N 271.360 3.817 30 20 CHED Cc1ccc([C@H](c2noc([C@@]3(C#N)C[C@@H]3C)n2)C(C)C)cc1 453187668 ZHABTTOKDOANHX-JCKWVBRZSA-N 295.386 3.967 30 20 CHED CC(C)(C#N)CC(=O)N1CCCc2cc(Cl)ccc21 278611209 WEDHPDDPECBJRK-UHFFFAOYSA-N 276.767 3.559 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1cccc(C)c1 455304784 CZQOIVHAFJXFSD-MRXNPFEDSA-N 272.392 3.808 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@H](C)c1ccccc1F)OCC 270024678 JZQMWKPOQUXZEP-CJNGLKHVSA-N 293.382 3.716 30 20 CHED C=CCCCC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 272507077 OHOVLIQQOXTJKW-HNNXBMFYSA-N 289.423 3.827 30 20 CHED C[C@@H]1c2ccsc2CCN1c1cc(C#N)ccc1[N+](=O)[O-] 466373206 VEOFQNCNXLVFKC-SNVBAGLBSA-N 299.355 3.652 30 20 CHED C=CCC1(C(=O)NCCCc2ccco2)CCCCC1 620366419 GENZHZXXUBIIBA-UHFFFAOYSA-N 275.392 3.855 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H]1c2ccccc2CCC[C@H]1C 274215905 OVFSZDPYSHLOKV-CKEIUWERSA-N 299.418 3.501 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2cccc(C)c2)C1 276997049 YOKJQNWSABUQEK-SJLPKXTDSA-N 271.404 3.913 30 20 CHED C=CCCCCNC(=O)CCCc1cccs1 274608044 JNBXVTPREKKXOO-UHFFFAOYSA-N 251.395 3.543 30 20 CHED CCCCCCCCCCC(=O)N1CCn2cncc2C1 378108266 LZXMYGJUFWKXGD-UHFFFAOYSA-N 291.439 3.756 30 20 CHED CN(C)c1ccc(C2CCN(CCCCC#N)CC2)cc1 375390694 JLPSYBLVJKGKNH-UHFFFAOYSA-N 285.435 3.626 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1cccc(Cl)c1C 622803826 WHKLSADAYZDUBF-CYBMUJFWSA-N 292.810 3.649 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)CCC2 466398897 KMUPKXCMOQTWOA-AWEZNQCLSA-N 258.365 3.652 30 20 CHED CC(C)(C#N)NC(=O)CCCc1ccc2ccccc2c1 540972772 KGSMMCJQPGVOOI-UHFFFAOYSA-N 280.371 3.581 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 465649790 DLGBTOGLTNPADN-MJBXVCDLSA-N 287.407 3.743 30 20 CHED C=C(C)COCCN[C@H]1CCC[C@H](c2ncccc2C)C1 467378528 VQGOWYLVSSQCLS-IRXDYDNUSA-N 288.435 3.599 30 20 CHED CC(C)c1[nH]ccc1C(=O)N[C@H](CCC#N)c1ccccc1 285842900 TUSVSUPXDGCRGP-MRXNPFEDSA-N 295.386 3.913 30 20 CHED C=CCC(C)(C)c1noc(C[C@H]2CCC[C@H](OC)C2)n1 551497909 ZQFYIYIFZVUQLJ-STQMWFEESA-N 278.396 3.671 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 637570720 GYUFPDLJXRCHLO-CQSZACIVSA-N 278.783 3.545 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)N[C@@H](CC)CCC 463592585 HYGHQIHKPOWIMM-ZDUSSCGKSA-N 291.391 3.569 30 20 CHED CC[C@@H](C#N)NC(=O)c1sc2cc(C)c(C)cc2c1C 469743134 XFYBOYNEUBJZTO-LBPRGKRZSA-N 286.400 3.859 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@H]2c2ccccc2)CC1 468368734 WJJYXXLOJDAVEF-VQTJNVASSA-N 298.474 3.953 30 20 CHED CCCCCCCCC(=O)N(C)c1ccc([N+](=O)[O-])nc1 288666968 BYLNCNPOTJEPNC-UHFFFAOYSA-N 293.367 3.703 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1ccc(OC)cc1 280928471 UWWOUSVNWJHFPK-JQHSSLGASA-N 289.419 3.717 30 20 CHED CC(C)C[C@@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CCO1 286555123 QMCGHFGKUZSEQX-NXEZZACHSA-N 299.827 3.674 30 20 CHED C[C@H]1CN(CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 281146777 BCZYUYNNUAJLJJ-FUHWJXTLSA-N 298.430 3.780 30 20 CHED C=CCCCC(=O)NCCOc1ccc(C(C)C)cc1 479518742 SADWSIVMPQBLIU-UHFFFAOYSA-N 275.392 3.661 30 20 CHED CC(C)(C#N)Cc1nc(CSCc2ccccc2)no1 290045249 JHQLOPCTMNLRFB-UHFFFAOYSA-N 287.388 3.595 30 20 CHED CCCc1ccc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)s1 633898951 CHTFYRSNFCGDPQ-ZDUSSCGKSA-N 299.399 3.598 30 20 CHED C=CCCO[C@@H](C)c1nc(C2(COC)CCCCC2)no1 290042466 GZNBEZFDYKEHRM-ZDUSSCGKSA-N 294.395 3.572 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCCCN1C1CC1)c1ccco1 556878360 MOIHNJSQFQVWFS-DLBZAZTESA-N 288.435 3.893 30 20 CHED C=CCCCCNC(=O)N(CCCCC)C(C)C 474080044 KZCHKGWDAUHOFR-UHFFFAOYSA-N 254.418 3.953 30 20 CHED CCOc1ccc(CNc2nc(Cl)c(C#N)s2)cc1 804377181 WREYOYLHOQLEAZ-UHFFFAOYSA-N 293.779 3.679 30 20 CHED C=CCCCCCCNC(=O)N[C@H](C)Cc1ccco1 804907641 CNBWREIMRKKOLN-CQSZACIVSA-N 278.396 3.646 30 20 CHED C=C(C)[C@@H](NC(=O)CSC1CC1)c1ccc(F)c(F)c1 294946753 IRYMAMSZNMXFCG-OAHLLOKOSA-N 297.370 3.594 30 20 CHED C#CCC1(C(=O)OCCc2scnc2C)CCCCC1 803457149 XBSSYXRPWPRRFH-UHFFFAOYSA-N 291.416 3.511 30 20 CHED CCCC1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 470803334 OJFKREAKZUQJFY-UHFFFAOYSA-N 291.782 3.913 30 20 CHED Cc1c(C(=O)/C=C\c2cn(C(C)C)nn2)oc2ccccc12 806571573 WXZHEEOJIZYHHC-HJWRWDBZSA-N 295.342 3.810 30 20 CHED C=CCCC1(C(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1 476194074 GVGZFJTXTXOEBM-GFCCVEGCSA-N 293.357 3.931 30 20 CHED N#Cc1ccc(C(=O)OCCc2ccccc2Cl)cc1 805337446 NFHUTBNACOIGGV-UHFFFAOYSA-N 285.730 3.611 30 20 CHED C=CCOCCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 645092704 PSVBTEJNGYAPRB-INIZCTEOSA-N 284.403 3.550 30 20 CHED C=CCC[C@@H](O)CN1Cc2ccccc2-c2ccccc2C1 472680003 USROIDWSFCFEIY-GOSISDBHSA-N 293.410 3.996 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1csc(C)c1 296292469 DEJIDQJUEKVXMI-GUTXKFCHSA-N 265.422 3.688 30 20 CHED CC(C)[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 476897010 UIZARNFFSPPXKW-MSOLQXFVSA-N 298.430 3.969 30 20 CHED CCC[C@H](CC)SC[C@@H](O)COc1ccc(C#N)cc1 477056212 KFKFWHUHBUKNHF-HOCLYGCPSA-N 293.432 3.610 30 20 CHED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCCC#N 292297175 YPGSSTDVGBFLLL-QWHCGFSZSA-N 292.810 3.984 30 20 CHED CC#CCCCc1nc(Cc2cc(C)cc(C)c2)no1 561867399 UXOKZWYUIJVDJA-UHFFFAOYSA-N 268.360 3.623 30 20 CHED CC(C)[C@@H]1N(C(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C 569136292 ZMAZNESBKXYWFE-AWEZNQCLSA-N 290.794 3.718 30 20 CHED CC[C@H](CC#N)NCc1nc2cc(C(F)(F)F)ccc2o1 565169697 BJFJSFJTVPYRMB-SNVBAGLBSA-N 297.280 3.628 30 20 CHED N#Cc1ccc([C@@H](O)CN[C@H]2CCCCC23CCCC3)cc1 291994509 XANAPEISJCPFOX-ROUUACIJSA-N 298.430 3.684 30 20 CHED C=CCCCCNCc1ccc(OC(F)F)c(OC)c1 472057615 KVKUJZLHEVLXMF-UHFFFAOYSA-N 285.334 3.743 30 20 CHED Cc1cc(OC(=O)c2ocnc2C2CC2)c(C)c(C)c1C#N 809036200 SGDKRCZBXUETTG-UHFFFAOYSA-N 296.326 3.568 30 20 CHED CC1(C)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 569181028 NTVOCCOPMAKNEB-UHFFFAOYSA-N 295.386 3.570 30 20 CHED C[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)[C@H]1c1ccccc1 565015767 PWSHIBDMDROBIJ-OGWOLHLISA-N 294.398 3.680 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 569257225 YRNINEOJMQWCJU-BRWVUGGUSA-N 284.403 3.708 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)cc1C(F)(F)F 562693160 LIJJUODAVOKJRV-NEPJUHHUSA-N 294.276 3.562 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(Cl)c(F)cc1Cl 815505805 YNBDOAKLBZOPKF-ZCFIWIBFSA-N 276.094 3.591 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc2ccncc12 648401403 IDJIDJHSAAMQPQ-UHFFFAOYSA-N 268.360 3.567 30 20 CHED C=CCCc1noc(-c2ccccc2OC2CCC2)n1 651359657 RYNXHIAMIUSRDP-UHFFFAOYSA-N 270.332 3.787 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(Cl)cc1 811946889 NGMMPEFDFUYWNK-GUYCJALGSA-N 297.785 3.934 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccn(C(CC)CC)n1 578166267 UDODTFWMQWWNEI-UHFFFAOYSA-N 298.452 3.515 30 20 CHED C=CCC[C@H](C(=O)N1C[C@H](C)[C@@H](C)C1)c1ccccc1 489070148 HCQONLWOPDATPQ-ZOBUZTSGSA-N 271.404 3.851 30 20 CHED C=CC[C@@H]1CCCC[C@H]1Nc1cnn(CC(F)F)c1 657950898 WFZQLJJETZEDJH-DGCLKSJQSA-N 269.339 3.695 30 20 CHED C=C[C@H](C)NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 653691355 CMXVMEDOESCZPW-NSHDSACASA-N 297.320 3.818 30 20 CHED C=CCCn1cc(CN(Cc2ccccc2)CC(C)C)nn1 653520786 FYFOTQIJNCRCBZ-UHFFFAOYSA-N 298.434 3.512 30 20 CHED N#CCCC1CCN(c2nc(C(F)(F)F)cs2)CC1 574635137 XVVLKWNFQPLHNP-UHFFFAOYSA-N 289.326 3.682 30 20 CHED C=CCC(F)(F)C(=O)N(CC1CC1)c1ccccc1 815769383 GPOCQRZYMILCKQ-UHFFFAOYSA-N 265.303 3.641 30 20 CHED C#CCOc1cc(F)ccc1N[C@@H](C)Cc1ccc(O)cc1 816524077 POCMGVYNINTAIG-ZDUSSCGKSA-N 299.345 3.586 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CS[C@H](C(C)(C)C)C2)CC1 488433969 RXWZGNMICZUDDS-HOTGVXAUSA-N 296.524 3.537 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)CCc1ccccc1 815311212 BUFHNLYUPCZHHP-LBPRGKRZSA-N 268.303 3.762 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)c(F)cc1Cl 487346317 OZJQCDFKAFPTGV-UHFFFAOYSA-N 270.735 3.827 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2ccccc2c1O 818356963 SZJZLEDOLSOJBF-VNHYZAJKSA-N 280.371 3.888 30 20 CHED CC#CCCNC(=O)N1CCCCC[C@H]1c1ccc(C)o1 483412768 WJGFUYKXMZIRSX-HNNXBMFYSA-N 288.391 3.628 30 20 CHED C[C@H]1CCc2sc(NC(=O)C3CC3)c(C#N)c2[C@H]1C 575103739 QLAKIFFOSACXSB-IUCAKERBSA-N 274.389 3.654 30 20 CHED C=CCC(C)(C)CNCc1c(C(C)C)nn(C)c1Cl 815142225 PWMKVDNPFKTQDP-UHFFFAOYSA-N 283.847 3.889 30 20 CHED C=CCC1(c2nc(Cc3c(F)cccc3F)no2)CCC1 573043476 MUXDJBLWALHSTO-UHFFFAOYSA-N 290.313 3.936 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1cccc(F)c1C#N 488992092 ZLKRSMNIUVNZHU-LLVKDONJSA-N 276.355 3.642 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H](N(C)C)C1 729627044 GYCZFCTUOUJZBU-MRXNPFEDSA-N 282.472 3.680 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)Oc2ccc(Cl)cc21 729151060 NQCITTGEFOGFFR-PXNMLYILSA-N 298.725 3.891 30 20 CHED Cn1cccc1C=NN=C(c1ccccc1)c1ccccc1 825643357 IJDZKBLHYBIFEO-UHFFFAOYSA-N 287.366 3.897 30 20 CHED C=CCN(Cc1ccc(C#N)cn1)CC1CCCCC1 570814182 XGKWRMYTAVQFRK-UHFFFAOYSA-N 269.392 3.522 30 20 CHED C#CCN(C(=O)Nc1ccc(Cl)cc1SC)C1CC1 824295981 UWVUQFVRYSPTLW-UHFFFAOYSA-N 294.807 3.691 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2cc(F)ccc2n1CC 499095728 JGQVRUKNJVHAAZ-UHFFFAOYSA-N 289.354 3.736 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccc(OCC(C)C)cc1 729936524 UIEPTGYMUUVOLY-UHFFFAOYSA-N 298.390 3.656 30 20 CHED C=C1CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1 668303810 VBMKNBCZFJCTAF-UHFFFAOYSA-N 275.314 3.678 30 20 CHED CC[C@H](CC#N)Nc1cc(SCc2ccccc2)ncn1 573624240 KDVNEBPIUVVOFJ-CQSZACIVSA-N 298.415 3.873 30 20 CHED CCCc1ccc(C(=O)CSc2ccc(C#N)cn2)cc1 498165052 IFHUOYVSAGLBLG-UHFFFAOYSA-N 296.395 3.881 30 20 CHED C=C(C)COC(=O)CCCCCc1ccc(OC)cc1 727564668 ZAVYJXQYONPNRX-UHFFFAOYSA-N 276.376 3.917 30 20 CHED C[C@H](NC(=O)CCCCCC#N)[C@H](C)c1ccccc1 588160349 HHHPVBAMLXWGKQ-GJZGRUSLSA-N 272.392 3.769 30 20 CHED CC1(C)Cc2cc(/C=C\C(=O)c3ccncc3)ccc2O1 588386446 SHMDPDCRLKMBHM-HYXAFXHYSA-N 279.339 3.691 30 20 CHED C=CCN(C/C=C/c1ccncc1)Cc1ccccc1 495077027 CBLBHIPSPZCNLI-RMKNXTFCSA-N 264.372 3.783 30 20 CHED Cc1ccc(CC(=O)N[C@@](C)(C#N)C2CCCCC2)cc1C 583948265 BEMQHCLKVIZUNQ-IBGZPJMESA-N 298.430 3.825 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)OCCCC#N 734057464 YEXJWJUWEVHNBP-AWEZNQCLSA-N 251.370 3.830 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(C(F)F)c1 491095403 KMTHQZZGLSVCLG-LLVKDONJSA-N 266.291 3.548 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 734986434 LXFMRGMLLFTLAG-MRVPVSSYSA-N 272.776 3.730 30 20 CHED Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H](C)C#N 736671823 IBLBLXVPRSQHSC-LLVKDONJSA-N 276.405 3.984 30 20 CHED C=CC[C@H](C)NC(=O)N1CC=C(c2ccc(C)cc2)CC1 735111666 ADZFOHNVPZAZGQ-HNNXBMFYSA-N 284.403 3.758 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2ccccc2CC#N)C1 583287001 OCSAYVRTBHTZOQ-AWEZNQCLSA-N 270.376 3.908 30 20 CHED CC#CCCNC(=O)Nc1ccc(SC)c(Cl)c1 497659451 DNQYJGJZCCNDAZ-UHFFFAOYSA-N 282.796 3.597 30 20 CHED CC1=CC[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CC1 585726483 CUAAFKSOPJYVQP-WBVHZDCISA-N 252.361 3.634 30 20 CHED C=C(C)CCN[C@H]1c2ccccc2CC12CCOCC2 580261378 CFJCXIJWXWYIGN-KRWDZBQOSA-N 271.404 3.636 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C)[C@@H]1CC 583173096 VJKLCVNULRQCRY-ZBFHGGJFSA-N 296.418 3.756 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(COC)cs1 667947309 MHAAZGNTKAQTPX-UHFFFAOYSA-N 291.416 3.718 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 835238423 MKPCRZYEVBRAJJ-UWVGGRQHSA-N 285.265 3.669 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1csc(-c2ccccc2)n1 903106655 UHQRRAHUJFNNMV-GFCCVEGCSA-N 283.400 3.764 30 20 CHED Cc1ccoc1C(=O)OCCCCC1(C#N)CCC1 908748532 FVAQJQXXPNFQIN-UHFFFAOYSA-N 261.321 3.609 30 20 CHED N#CC1(CCCCSC[C@H]2CCNC(=O)CC2)CCC1 901793330 JNNQISWOUUZMNX-CQSZACIVSA-N 294.464 3.500 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1c(C)cccc1Cl 835484149 FHADNIMIOUTUOX-AWEZNQCLSA-N 265.740 3.632 30 20 CHED CC#CCCCCOC(=O)c1ncccc1SCC 835311608 UDZCQUNGLUBCJZ-UHFFFAOYSA-N 277.389 3.544 30 20 CHED C=C[C@@H](C)NC(=O)c1cccnc1Sc1ccccc1 674956983 PCSPZEOTZGAJSY-GFCCVEGCSA-N 284.384 3.537 30 20 CHED CCC(=NNc1ccc(C(C)C)cc1)c1cnn(C)c1 835018792 UWHLXHSQDOILCM-UHFFFAOYSA-N 270.380 3.770 30 20 CHED C=C(C)CN(C)Cc1c(F)cccc1OC(F)(F)F 671307315 PWFNTACIJPGPOD-UHFFFAOYSA-N 277.261 3.732 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)nn1)C1CCCC1 834965467 BCPZNBAZPIBYGY-UHFFFAOYSA-N 286.301 3.864 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc2nc(C)ccc2c1 839036707 GUIMYKUFCUQECM-ZDUSSCGKSA-N 267.328 3.502 30 20 CHED CCCc1nc(C)c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)s1 839048718 NYUICUQFESLMJK-NWDGAFQWSA-N 292.404 3.643 30 20 CHED C=C(C)COC(=O)c1cnn(-c2ccccc2)c1C(C)C 913379827 QEQVPQJLCVSAEP-UHFFFAOYSA-N 284.359 3.729 30 20 CHED C#CCC[C@H](C)OC(=O)/C=C\c1cnc(C(C)(C)C)s1 839042304 ZZKCNYMKBZDOTD-PRDAAYKISA-N 291.416 3.799 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NN[C@@H](C)C(F)(F)F 834997827 KOZCFLVXVQYCMP-LPEHRKFASA-N 250.308 3.729 30 20 CHED CCCCCCCC(=O)O[C@H](C(=O)N1CCCC1)C(C)C 919222955 LPUGEJNEBFYGSH-INIZCTEOSA-N 297.439 3.537 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 673551578 KRHUXPVFBANETD-IHRRRGAJSA-N 266.429 3.807 30 20 CHED N#Cc1ccccc1COC(=O)c1cc2cccc(F)c2o1 745287335 YRUJYCDGTLGKKK-UHFFFAOYSA-N 295.269 3.801 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1ccc2c(c1)COC2 742433914 ATXJIRBJKXLOGV-BAQGIRSFSA-N 268.287 3.752 30 20 CHED C=C(CNC[C@@H]1CCOc2ccccc21)c1ccccc1 676899706 DZGLHNOSFCRBIH-KRWDZBQOSA-N 279.383 3.856 30 20 CHED CC(=NNc1ccccc1Cl)c1ccc(O)cc1O 916262856 RJSUXCDXVASIHU-UHFFFAOYSA-N 276.723 3.587 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](C)c1ccc(C)o1 742531572 MTKQLSOIRIBNSL-OAHLLOKOSA-N 283.371 3.906 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](C)c1ccc(SCC)cc1 845636530 PKWGGSWGXJYDIW-VXGBXAGGSA-N 294.420 3.665 30 20 CHED CC(=NOCC(C)C)c1ccc(-n2ccnc2C)cc1 749632421 XPLRKATUQMSYSD-UHFFFAOYSA-N 271.364 3.577 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 593399817 RQNXWAAGMDEDDV-IUCAKERBSA-N 285.174 3.720 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CO[C@H](C)C2)cc1 842927691 FQVNHZGXTNFBBG-IPYPFGDCSA-N 295.810 3.646 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H]1c1cccc(F)c1 675159720 KEIYWVYNCFCNKR-MRXNPFEDSA-N 273.351 3.868 30 20 CHED Cc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1O 841894606 RKIPHCMJEZCUHL-SFHVURJKSA-N 292.382 3.740 30 20 CHED CCN(C(=O)CC1(C#N)CCCCC1)[C@H](C)C(F)(F)F 597598541 NQHPIYBCWIXREE-LLVKDONJSA-N 290.329 3.650 30 20 CHED CCC[C@@H](/N=C\c1c(CO)cnc(C)c1O)c1ccccc1 747712901 KOMXFUIXWTVKDA-LELXDKESSA-N 298.386 3.548 30 20 CHED FC(F)CNN=C1CC[C@H](c2cccc(Cl)c2)C1 841626901 VSSWZJMSYKXVSW-JTQLQIEISA-N 272.726 3.818 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1c(F)cccc1F 748235289 ZZQHZGVTPPTNRJ-JTQLQIEISA-N 254.276 3.925 30 20 CHED N#CC[C@H](CC(=O)NCCCC1CCC1)c1ccccc1 598215031 GMDZQQCTXFUKNF-QGZVFWFLSA-N 284.403 3.770 30 20 CHED CCCc1nc(C)c(COc2ccc(C#N)cc2C)o1 596254206 NXIDKPRMRCYVEA-UHFFFAOYSA-N 270.332 3.695 30 20 CHED N#Cc1ccc(-c2ccc(C[C@@H](O)C3CC3)cc2)s1 592988170 HBLFLHUDYNTXLI-OAHLLOKOSA-N 269.369 3.600 30 20 CHED CC(C)(C#N)CC(=O)OCC[C@@H]1CCc2ccccc21 849764898 TVPSYIIMRMCHQJ-AWEZNQCLSA-N 271.360 3.590 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCCCCC#N 591103474 ASUWHTCWVTXUFB-QGZVFWFLSA-N 284.403 3.764 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(NC(C)=O)cc1 595058319 HLZBBFHDZZLANX-ZDUSSCGKSA-N 292.448 3.605 30 20 CHED C=C(C)CON=C(C)c1cnn(-c2ccc(F)cc2)c1C 844617294 MWZSPPADBJYYEX-UHFFFAOYSA-N 287.338 3.637 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)OC/C(Cl)=C/Cl)c1 840607472 ZOTIPQLKOZPDBB-BLJGWETHSA-N 296.153 3.524 30 20 CHED C=CCN(C(=S)Nc1cccc(C)c1C)C(C)C 917589322 QULXNPZDQAFLEI-UHFFFAOYSA-N 262.422 3.897 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@H](C3CCC3)C2)cc1 840977305 HCAJPKLZRRUTSF-YOEHRIQHSA-N 284.403 3.599 30 20 CHED COc1ccc(CN[C@H]2C[C@@H]2C2CCCCC2)cc1C#N 742375167 KBTDHKIMMIXWRI-SJORKVTESA-N 284.403 3.625 30 20 CHED CC1(C)CCN(C(=O)NCCCCC#N)CC(C)(C)C1 596264321 BMYPDYFGWCLDAZ-UHFFFAOYSA-N 279.428 3.538 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCC[C@@H]1c1ccc(C)cc1 593485019 ULAWIOPUJWJWQA-GOEBONIOSA-N 270.376 3.598 30 20 CHED CCCCCCCCCNC(=O)c1ccncc1F 741208793 JHJDDOXOXDFLLN-UHFFFAOYSA-N 266.360 3.701 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)Cc2ccccc21 748994086 FGYOTBXSHIDTQM-GHXNOFRVSA-N 255.704 3.557 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCc2cc(F)ccc21 920175609 YNSOPGUGKLUTBA-YQYFLZKSSA-N 255.292 3.638 30 20 CHED C=C[C@@H](OC(=O)CCc1scnc1C)C(C)(C)C 842350438 SHXYBFZKMVWHAF-GFCCVEGCSA-N 267.394 3.528 30 20 CHED C=CCC(CC=C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 758529607 OIRKTQOCTJWXBG-AWEZNQCLSA-N 293.370 3.816 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccccc1C)c1ccccc1 757760151 GXXXWBXCIBZYFX-QGZVFWFLSA-N 278.355 3.881 30 20 CHED C=C(Br)CN1CC[C@H](c2ccccc2)[C@H]1C 751777069 RQQCAZQUUDHSKK-OCCSQVGLSA-N 280.209 3.773 30 20 CHED C[C@@H](NC1CCN(CC#N)CC1)c1csc2ccccc12 925001890 HRUCDCAUVMSVAE-CYBMUJFWSA-N 299.443 3.540 30 20 CHED CCC1CCC(=NNc2ccc(C(F)(F)F)nn2)CC1 754711177 TZNBLCHNLZPSKB-UHFFFAOYSA-N 286.301 3.864 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCCCC(C)(C)C#N 850044937 GCDXHAVDPLMENS-JKSUJKDBSA-N 285.387 3.972 30 20 CHED CC1(C)CCCCC1=NNc1nncc2ccccc12 757560970 LPMKXMCPIRIWHY-UHFFFAOYSA-N 268.364 3.998 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1ccc(C(=O)O)cc1 750922411 PCOJINAMPLMBGK-UHFFFAOYSA-N 298.342 3.620 30 20 CHED Clc1csc(C=NNCc2ccccc2Cl)n1 758107122 LVGJVQRZSPTFMH-UHFFFAOYSA-N 286.187 3.574 30 20 CHED Fc1cccc(NN=Cc2cn3cc(Cl)ccc3n2)c1 920385850 IQIUHSJQAJOPLA-UHFFFAOYSA-N 288.713 3.573 30 20 CHED Cc1c(N)ccc(C(=O)OCCCCC(C)(C)C#N)c1C 922979261 FKWLDYDDTXBDNK-UHFFFAOYSA-N 288.391 3.763 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(N2CCCC2=O)cc1 925730877 XTMRASTURAVCSN-CYBMUJFWSA-N 285.391 3.554 30 20 CHED C=CCCCCCCCNC(=O)C[C@@H]1CCCC[C@H]1O 752988075 ZLFBCKUAHYWQCA-JKSUJKDBSA-N 281.440 3.570 30 20 CHED COc1ccc(C[C@H](C)C=NOCC(F)(F)F)cc1F 758129394 PENNRFVKSPCKOL-VIFPVBQESA-N 293.260 3.578 30 20 CHED CCN(CC)c1ccc(/C=C/C(=O)c2cc(C)on2)cc1 752877420 NTJUKHGCCLZASS-DHZHZOJOSA-N 284.359 3.725 30 20 CHED C[C@@H](OC(=O)c1ccn(C)c1-c1ccccc1)C(C)(C)C#N 850906419 JWGUNTAAZYJFOO-CYBMUJFWSA-N 296.370 3.787 30 20 CHED CCSc1ccccc1C(C)=NNc1ccc(C)nn1 759668120 YWIRAVUQFFEGCG-UHFFFAOYSA-N 286.404 3.733 30 20 CHED CCCCCCCCNC(=O)c1csc(C=O)c1 755216617 UQDBLNSFMLCRAN-UHFFFAOYSA-N 267.394 3.651 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 935412957 VYTKAGUGXYKTNN-OIISXLGYSA-N 287.403 3.625 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCc1ccc2[nH]ccc2c1 851207466 CVKPKMZPJGFAHA-ZDUSSCGKSA-N 298.386 3.972 30 20 CHED C=CCCN(C)C(=O)c1ccc(N2CCCCCC2)cc1 935573096 LPIJHLWSMLKNIF-UHFFFAOYSA-N 286.419 3.715 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1cc(F)ccc1F)OCC 756479117 XIPFAADURXZMBO-NHYWBVRUSA-N 298.329 3.940 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2cc(F)ccc2F)c1 757467535 GCWSVTKAMSYPAG-KXFIGUGUSA-N 290.265 3.575 30 20 CHED C[C@@H](Cc1ccsc1)OC(=O)c1cccc(CC#N)c1 851146580 ZAYBWRALICSRDN-LBPRGKRZSA-N 285.368 3.602 30 20 CHED C#CCN(Cc1cnc(C2CC2)o1)[C@@H]1CCc2ccccc21 862213114 VPRHFVWJMAZBCP-GOSISDBHSA-N 292.382 3.675 30 20 CHED C=CCN(C)C(=O)[C@H](CC)c1ccc(Br)cc1 860976662 PKUAUWYQCNMJAK-CYBMUJFWSA-N 296.208 3.587 30 20 CHED C=C[C@](C)(CCOC)COC(=O)C[C@H](C)c1ccco1 860687714 LAYDYTUFBXQPIP-XJKSGUPXSA-N 280.364 3.545 30 20 CHED Cc1nc(C)c(CN2CCC(c3ccc(C#N)cc3)CC2)o1 933610226 FADALSMPGOXAEM-UHFFFAOYSA-N 295.386 3.543 30 20 CHED CC(C)CCCCOC(=O)Cc1ccc(OCC#N)cc1 860895124 HPRPLQIAUWGBIJ-UHFFFAOYSA-N 289.375 3.501 30 20 CHED C=C(C)C[C@H](NCc1ccc(Cl)cc1Cl)C(=O)O 864531086 USOJGFBRSKFHEP-LBPRGKRZSA-N 288.174 3.502 30 20 CHED C=CCC[C@H](NC(=O)c1cccc(F)n1)c1ccccc1 764898688 OIYHUQUKNHAFLJ-AWEZNQCLSA-N 284.334 3.658 30 20 CHED CSc1ccc(/C=C/C(=O)NCC(C)(C)CC#N)s1 861950993 XLGPWIBUJPCTGZ-GQCTYLIASA-N 294.445 3.539 30 20 CHED CC#CCCCC(=O)OCc1ccccc1Cl 767047915 VTVVSPJVKGYXJC-UHFFFAOYSA-N 250.725 3.577 30 20 CHED C#CCN(CC)C(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 764212426 XLJNXTXPBCNZDA-CMKODMSKSA-N 295.426 3.517 30 20 CHED C=CCCCCNC(=S)Nc1ccc(C)c(F)c1 769760887 QXVVTIZPTYKUSV-UHFFFAOYSA-N 266.385 3.777 30 20 CHED CCOC(=O)c1[nH]c(C)c(C=NNc2cccc(C)c2)c1C 863064084 DYJRVENKPLMZOD-UHFFFAOYSA-N 299.374 3.563 30 20 CHED CCCCCCOc1ccc(C=NN2CCCC2=O)cc1 769592225 BCJHRGORZWLOQN-UHFFFAOYSA-N 288.391 3.602 30 20 CHED CCCCCCCNC(=O)C=C1CCSCC1 862358117 VBYBNDUXQWTMPZ-UHFFFAOYSA-N 255.427 3.526 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CC(C)(C)c1ccc(F)cc1 865114582 XVBUJBSTDSQEKG-HNNXBMFYSA-N 290.382 3.548 30 20 CHED C=CCC[C@H](CC)NC[C@](C)(O)c1cccc(Cl)c1 765684664 RWMWQZFHZHKMMG-HOTGVXAUSA-N 281.827 3.882 30 20 CHED C=C(C)CN(C)Cn1cc(-c2ccccc2)oc1=S 1118741964 HZIJNILCLIPLHX-UHFFFAOYSA-N 274.389 3.943 30 20 CHED COCCC(=NNc1ccc(Cl)cc1)C1CCOCC1 764890775 BETKTDDSPLIGTQ-UHFFFAOYSA-N 296.798 3.571 30 20 CHED COc1ccc(NN=C2CCCC2(C)C)c([N+](=O)[O-])c1 767804155 VJILEBAYRHRJHE-UHFFFAOYSA-N 277.324 3.581 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 772989907 JRXSQWWPTQCDSJ-UHFFFAOYSA-N 294.314 3.693 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1cccc(C)c1Cl 774658004 NZDXADYJGITJGC-LLVKDONJSA-N 268.740 3.535 30 20 CHED C=CC(C)(C)CC(=O)N1Cc2ccccc2C(F)(F)C1 879220455 OBWYYNRFIYYFML-UHFFFAOYSA-N 279.330 3.723 30 20 CHED Cc1cc(C(=O)O[C@H](C#N)C2CCCCC2)c(C)s1 776369413 OYKDSJOBUIHXGH-CQSZACIVSA-N 277.389 3.994 30 20 CHED N#Cc1c(F)cccc1C(=O)Oc1cccc(Cl)c1 777402609 USWUCDSHBLCJFK-UHFFFAOYSA-N 275.666 3.570 30 20 CHED Cc1ccc(OCCCC(=O)OCCC(C)(C)C#N)cc1 776354746 NFUKXSZPVOHOBP-UHFFFAOYSA-N 289.375 3.637 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](c2ccccc2OC)C1 779918811 ZOSCKWLWBGBXGP-INIZCTEOSA-N 299.414 3.595 30 20 CHED CC[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1OC 775090735 WZNJFBJJDOFAKT-QGZVFWFLSA-N 298.361 3.947 30 20 CHED COc1ccc2cc(/C=C\C(=O)OC(C)(C)C#N)ccc2c1 779226281 LTWVEEQKMJIUOS-UITAMQMPSA-N 295.338 3.707 30 20 CHED CC(C)c1nccnc1NN=C1CCCNc2ccccc21 773078808 NWKSRFSZUNFMNO-UHFFFAOYSA-N 295.390 3.622 30 20 CHED C#CCCCCCC(=O)NCC[C@@H]1CCCC[C@H]1C 779914507 PCSPSOBCKLRNKB-CVEARBPZSA-N 263.425 3.903 30 20 CHED CCc1cnccc1C(=O)/C=C\c1c(F)cccc1F 776190911 CPUAQVVOGBWVRY-SREVYHEPSA-N 273.282 3.818 30 20 CHED C#CCCCCC(=O)OCc1ncc(-c2cccs2)o1 773645757 YSYUFNRVVLEZHA-UHFFFAOYSA-N 289.356 3.640 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 770279350 KUDWATVCTOPLFC-QMMMGPOBSA-N 285.174 3.787 30 20 CHED C=CCC[C@@H](C(=O)NOCc1ccccc1)c1ccccc1 777770346 ZXUQWCNOZIOEDF-GOSISDBHSA-N 295.382 3.984 30 20 CHED CCc1cc(C#N)c(NC(=O)c2oc(C)cc2C)s1 1125351212 FYLPWQQHAAIPCP-UHFFFAOYSA-N 274.345 3.644 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H](c1ccccn1)C(F)(F)F 889656411 YXTRIZBTQPHZBA-LBPRGKRZSA-N 287.281 3.831 30 20 CHED C#CC[C@@H](C)OC(=O)c1sc2ccc(C#N)cc2c1C 1122648870 CICDXZHFGLVGKH-SNVBAGLBSA-N 283.352 3.650 30 20 CHED C/C(=C/C(=O)OCc1ccc(C#N)cc1Cl)C1CC1 784207394 CWFHDRPNOHYIJF-POHAHGRESA-N 275.735 3.611 30 20 CHED C[C@H](CC1CCCC1)C(=O)[C@H](C#N)c1cccc(F)n1 1122632165 QTZVQEIFRHGZOM-DGCLKSJQSA-N 274.339 3.613 30 20 CHED C=C[C@@H]1CCCCN1c1nc2cc(C)nn2c2ccccc12 784676828 QGGHGIAFJZSLNM-CQSZACIVSA-N 292.386 3.736 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(OC)c2ccccc2c1 887079993 GLWACVCTZSHRNR-ZDUSSCGKSA-N 299.370 3.768 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1cccc(Cl)c1 785758436 WUKMATHQXRTZIF-OAHLLOKOSA-N 280.751 3.668 30 20 CHED C#CCC1(C(=O)N[C@@H](C)CCCC=C)CCCCC1 788238933 WZUSWQASPXMDOE-HNNXBMFYSA-N 261.409 3.821 30 20 CHED CC(C)(C#N)CCCOC(=O)C1(c2ccccc2)CCC1 782152056 MZFZCPFIEACKTQ-UHFFFAOYSA-N 285.387 3.981 30 20 CHED Cc1ccc(F)cc1/C=C1\Cc2cc(O)ccc2C1=O 780187518 FSXRCOXSHWCQGA-AWNIVKPZSA-N 268.287 3.662 30 20 CHED CCOc1ccc(C=O)c(OCc2ccc(CC#N)cc2)c1 783883773 MRMLQTAIFADVHL-UHFFFAOYSA-N 295.338 3.543 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccc(F)c(F)c3)cn2c1 789131006 SVGIXIJVRARCSF-XQRVVYSFSA-N 298.292 3.817 30 20 CHED CCC(=NNc1nc2ccccc2[nH]1)c1cccc(F)c1 783507253 FRQSIOPEELQWHL-UHFFFAOYSA-N 282.322 3.928 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc(C(C)(C)C)cc1 788035140 XQIKCPLKDIGJAK-CQSZACIVSA-N 275.392 3.761 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)cc1 899343542 ZXVJYVFLOPZUJJ-IZZDOVSWSA-N 295.386 3.570 30 20 CHED C=C[C@@H](C)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786505725 ZWRFKYOAHQHLPY-VXGBXAGGSA-N 257.333 3.779 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N=C1C[C@H](C)ON1 1138003394 TWKBLJVGGUWCOI-JSGCOSHPSA-N 280.412 3.612 30 20 CHED Fc1cc(Cl)ccc1C=NNCCc1ccccc1F 783520713 GTPXRJJBMPCASW-UHFFFAOYSA-N 294.732 3.784 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 787309668 KZYBSPLEMDNCOJ-LBPRGKRZSA-N 280.755 3.789 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@](C)(c2ccccc2)C1 791066223 GTGVPGFFZJJNBV-MJGOQNOKSA-N 298.430 3.552 30 20 CHED C[C@H](NCCC#N)c1cc(Cl)cc(Cl)c1F 701250811 MJGVXNXDIVSDKY-ZETCQYMHSA-N 261.127 3.697 30 20 CHED Cc1cc(NC(=O)C[C@@H](C)CC(C)(C)C)ncc1C#N 1130505030 YQJIZAXTWWNFKF-LLVKDONJSA-N 273.380 3.663 30 20 CHED COc1cc(/C=C\C(=O)c2cc(C)c(C)o2)ccc1O 799896524 ITERLXNOAUBBKW-ALCCZGGFSA-N 272.300 3.507 30 20 CHED C=C(C)CCN(C)[C@@H]1CCCc2nc(C)sc21 274796249 POBKGIGVUMPYTN-CYBMUJFWSA-N 250.411 3.727 30 20 CHED Clc1cccc(NN=Cc2cc3ccccc3o2)n1 793175057 RMDWTKVWFYXRKF-UHFFFAOYSA-N 271.707 3.927 30 20 CHED CC(=NNc1ncccc1C)c1ccccc1Cl 790193126 UWURUZYUYJOYIV-UHFFFAOYSA-N 259.740 3.880 30 20 CHED COCCON=C/C(C)=C\c1ccccc1C(F)(F)F 799881158 IQKRUJTTWDQTNF-SALNACHASA-N 287.281 3.758 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC)[C@H](CC)c1ccccc1 791063621 BQQMEKYXXSWGKN-IAGOWNOFSA-N 286.419 3.971 30 20 CHED C[C@H]1CSCC1=NNc1cccc(Cl)c1F 794904116 WXFULWIXFXDVEH-ZETCQYMHSA-N 258.749 3.630 30 20 CHED Cc1cccc2c(CC(=O)OCC#CC(C)(C)C)c[nH]c12 798886256 JFKGIIBCICNDSB-UHFFFAOYSA-N 283.371 3.612 30 20 CHED C#Cc1ccc(C=NNc2ccc(OC(F)F)cc2)cc1 792635537 JQHQOJCAAGQDTE-UHFFFAOYSA-N 286.281 3.715 30 20 CHED N#CCCCCOC(=O)C1CC(c2ccc(F)cc2)C1 796092600 FNSOMPAIFDNXJW-UHFFFAOYSA-N 275.323 3.556 30 20 CHED CC(C)C[C@H](C)COC(=O)Cc1ccccc1CC#N 798649137 ZIMGANHYGUMRAL-AWEZNQCLSA-N 273.376 3.521 30 20 CHED CC(C)[C@H](C)N(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790263838 FMGGBMOSKMHEOH-LBPRGKRZSA-N 297.320 3.560 30 20 CHED C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(F)cc1 792749518 FGJUDVNHGZDDSR-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1cn2ccsc2n1 657853470 LOYAPQBWKZPNAK-JSGCOSHPSA-N 275.421 3.620 30 20 CHED CCC(CC)(CC)C(=O)Nc1cccc(OCC#N)c1 760377977 JUIXSQCMLWBDGT-UHFFFAOYSA-N 274.364 3.744 30 20 CHED CCCCCCCCC(=O)Nc1ccc(C(C)=O)cn1 760756307 NRGPRLDWDMOUBD-UHFFFAOYSA-N 276.380 3.973 30 20 CHED COc1ccc(CNc2cccc(F)c2C#N)cc1Cl 86584256 CWAKHZKIUQLNAC-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#Cc1ccc(CNc2nc3ccc(F)cc3s2)cc1 91940771 QUNLSLKHBFGJHZ-UHFFFAOYSA-N 283.331 3.919 30 20 CHED COc1cccc(COc2ccc(C#N)cc2)c1Cl 1164575306 CNVYDOGAZYGMPO-UHFFFAOYSA-N 273.719 3.799 30 20 CHED Cc1ccc(C)c(NC(=O)Nc2ccc(OCC#N)cc2)c1 1318802571 ZISRZOHIKQQLBD-UHFFFAOYSA-N 295.342 3.850 30 20 CHED Cc1ccc2oc(CNc3ncc(C#N)cc3F)cc2c1 1163734156 SOGMWSWLLNLQFJ-UHFFFAOYSA-N 281.290 3.759 30 20 CHED Cc1nc(N(C)[C@@H](C)C2CCCCC2)ccc1C#N 1612300889 FFNJHUQEEHJBDT-ZDUSSCGKSA-N 257.381 3.667 30 20 CHED CCCCCCCCc1nnc([C@H]2CCO[C@H]2C)o1 1329484702 XSGNKYYOYAAMHO-STQMWFEESA-N 266.385 3.865 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccccc1C1CC1 1327722277 QEUOGHGHNKOUNE-MRXNPFEDSA-N 257.333 3.547 30 20 CHED C#CC[C@@H](CCOC)NCc1ccc(Oc2ccccc2)o1 1329173999 QXJIOLRBMCKBLU-HNNXBMFYSA-N 299.370 3.590 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 1328390682 GXFAJCQZNOMSHH-QWHCGFSZSA-N 293.357 3.883 30 20 CHED Cc1cc(C)c(C#N)c(NCCCCOc2ccccc2)n1 1321447038 LUDDBAUMEMFKIP-UHFFFAOYSA-N 295.386 3.841 30 20 CHED C=C(C)COc1cc(CNC/C=C/C2CC2)ccc1OC 1326327697 WTJMMDDULOFWPL-SNAWJCMRSA-N 287.403 3.706 30 20 CHED CC#CCCN1C[C@@H]2CCCC[C@]21c1ccccc1 1320251856 WQGFXHQIJJOJOS-ROUUACIJSA-N 253.389 3.801 30 20 CHED CO[C@H]1CCCCC1=NNc1ccccc1Cl 1248679060 AHSDRSZBZPICDJ-ZDUSSCGKSA-N 252.745 3.697 30 20 CHED N#Cc1ccnc(CSc2nc(-c3ccccc3)co2)c1 1189225639 OOSPYSABQHWSOB-UHFFFAOYSA-N 293.351 3.901 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(CN3CCCCC3)cc2)C1 1333735428 ZYBPETRUNQJIBZ-SJLPKXTDSA-N 283.419 3.777 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc(Cl)c1F 1339998775 PDLDGUJBNBSSQM-JTQLQIEISA-N 268.763 3.897 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)Cc2ccc(C(C)C)cc2)n1 1185819762 QRHIVAVQJOOHHA-ZDUSSCGKSA-N 294.402 3.823 30 20 CHED C=C[C@](C)(CC)c1nnc(-c2c(C)nc3ccccn23)o1 1330074628 LYWKEBCUBUTVMJ-MRXNPFEDSA-N 282.347 3.546 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)OC1CCCCC1)c1ccccc1 1341185968 FQRLGPWWZJSZIZ-MAUKXSAKSA-N 299.414 3.605 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 1263860947 LVMZYXNRQJHBSJ-CQSZACIVSA-N 295.386 3.505 30 20 CHED C=C(C)CCC(=O)O[C@H](C)c1nc2ccccc2n1C 1262778156 LWEUCQLNNUYNQW-GFCCVEGCSA-N 272.348 3.534 30 20 CHED C=C(CC)C(=O)Nc1ccccc1N1CCCCC1 1346070769 ADJAONGIBPDWKV-UHFFFAOYSA-N 258.365 3.582 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@](C)(CC)C(F)(F)F 1517812244 RZKNNFYSEIMFGG-YPMHNXCESA-N 292.345 3.858 30 20 CHED C=CCC[C@H](C)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 219257352 YKGSDRQOJRTYQB-GJZGRUSLSA-N 296.455 3.720 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1sccc1C#N 1527149500 NABMBLXCDPSZKP-CYBMUJFWSA-N 276.405 3.661 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccccc1C 1526676980 WXGQPVUHTGVJFR-CQSZACIVSA-N 258.365 3.958 30 20 CHED N#Cc1ccccc1SCc1csc(Cl)n1 1458949993 NQGANDGLNMDDED-UHFFFAOYSA-N 266.778 3.960 30 20 CHED Cc1ccccc1CN(C)Cc1cccc(C#N)c1F 223516345 QMULURNQAKNBIV-UHFFFAOYSA-N 268.335 3.638 30 20 CHED N#Cc1c(F)cccc1SCc1ccc(C(=O)O)s1 1601083123 OJMVKOUAPYMTBC-UHFFFAOYSA-N 293.344 3.749 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 1464217114 ZNMIZUFXCOLCIY-NSHDSACASA-N 299.305 3.501 30 20 CHED CC[C@@H](C)Oc1ccc(Nc2cc(C#N)nc(C)n2)cc1 1611860943 NFQOHOCJFGECNW-LLVKDONJSA-N 282.347 3.578 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Nc1sccc1C#N 1476828943 JEWJIEYMYHZNQK-UONOGXRCSA-N 297.383 3.606 30 20 CHED C[C@@H](CNc1nc2ccccc2cc1C#N)C1CC1 226798188 DVZLCUXCNAULAQ-NSHDSACASA-N 251.333 3.564 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2sccc2Cl)n1 1617235970 RPCWZTSNUBNEIR-UHFFFAOYSA-N 291.763 3.537 30 20 CHED N#Cc1cc(F)cc(N[C@H]2CCc3ccccc3C2)c1 227615793 QBMAJPZTKFIENQ-INIZCTEOSA-N 266.319 3.667 30 20 CHED Cc1cc(Oc2ccc(Cl)c(F)c2)ncc1C#N 1639726382 YKCWQHYQJKHOBS-UHFFFAOYSA-N 262.671 3.847 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(-c2ccco2)cc1F 1639462849 UGAHJAAVFKUTBG-SNVBAGLBSA-N 272.279 3.574 30 20 CHED CC[C@H](C)Oc1cc(Nc2cccc(CC#N)c2)nc(C)n1 1639924162 HOFXEDZYGLHTMD-LBPRGKRZSA-N 296.374 3.772 30 20 CHED CC[C@H]1CN(CCc2ccc(C#N)cc2)c2ccccc2O1 1657432422 YMNLPTPLPFHPPK-KRWDZBQOSA-N 292.382 3.778 30 20 CHED C=CC[C@H](N[C@@H](C)CC(C)(C)CC(=O)O)c1ccncc1 1588746148 QDLKYRYETUJDCD-ZFWWWQNUSA-N 290.407 3.568 30 20 CHED CC(C)CCCn1c(C(C)C)nnc1N(C)[C@H](C)CC#N 1741503284 WMGHFVSUHINKEG-CQSZACIVSA-N 291.443 3.576 30 20 CHED CC[C@@H](C)[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)OC 1655496672 OVRBOIMDVTYRHG-TZMCWYRMSA-N 289.423 3.724 30 20 CHED CSCc1ccc(Nc2cc(C)ncc2C#N)cc1 1655092532 WHHKIMWVQYLQQB-UHFFFAOYSA-N 269.373 3.868 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@@H]1C[C@@H]2CCC[C@@H]21 1658578198 XNMUFVCGOPVMPO-UKTARXLSSA-N 256.349 3.578 30 20 CHED C=C(CNCc1nc2ccccc2o1)c1ccccc1 1657111683 SARQGSOZRLJPGQ-UHFFFAOYSA-N 264.328 3.631 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1sccc1C#N 1671445478 QUVIWWAUBRUZAT-SNVBAGLBSA-N 265.382 3.566 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](C#N)C1 1678767140 MVGZFPVZFHVUCH-GDBMZVCRSA-N 291.439 3.681 30 20 CHED CC(C)C[C@@H]1CCCC1=NNc1ccc(CC(=O)O)cc1 1776085795 KUVJWLBFLMKYKK-AWEZNQCLSA-N 288.391 3.928 30 20 CHED CC(C)CC(=NNc1ccc(C(=O)O)cc1)c1ccncc1 1776012204 IOQXCWDPLBRWKJ-UHFFFAOYSA-N 297.358 3.642 30 20 CHED CCCc1cccc(C=NNc2ccc(C(=O)O)cc2)c1 1776012652 JBABLQCZZSFTPY-UHFFFAOYSA-N 282.343 3.783 30 20 CHED O=C(O)c1cccc(C=NNc2ccc(F)cc2Cl)c1 1776106649 OORDVUUCEJGUOQ-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Cc1ccsc1/C=C1\C[C@@H](C(=O)O)c2ccccc2C1=O 1777477365 BSMIVXOWUOJRIK-CFRMROPGSA-N 298.363 3.895 30 20 CHED C=C(C)CN(CC)C(=O)CCCc1sccc1C 161311093 JHEFFNOLVXBNKB-UHFFFAOYSA-N 265.422 3.804 30 20 CHED C=CCCS[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 151990401 CDLMNVXYDPQOOP-RYUDHWBXSA-N 281.396 3.701 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(F)c2)cc1Cl 153479167 XECLMBKIHCXOOR-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CCCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 232928805 HZFYOJNEFPJBNK-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc(Cl)c(Cl)c1 855780543 KZFKZQSUFWUASR-UHFFFAOYSA-N 284.186 3.659 30 20 CHED C[C@H](C#N)CN[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 248598232 IONXGGMULMBIBI-TXCZRRACSA-N 256.393 3.708 30 20 CHED N#Cc1cccc(CN2CC[C@@H]3CCCC[C@@H]3C2)c1 35154832 CMAGZKHMROGPQE-DLBZAZTESA-N 254.377 3.570 30 20 CHED N#Cc1ccc(COc2ccc(Cl)cc2C=O)c(F)c1 37302677 HFIYYAOIKCXFBD-UHFFFAOYSA-N 289.693 3.742 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)c1cscn1 165147426 QORVOZOSSNPFNJ-LBPRGKRZSA-N 287.388 3.999 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cc1)[C@H](C)CC 48322311 VIZAHMRESALHNM-CYBMUJFWSA-N 258.365 3.599 30 20 CHED C[C@H]1[C@H](C)CCN1c1ccc(C#N)cc1Br 301883717 XZNNGZMPAPJJRE-ZJUUUORDSA-N 279.181 3.555 30 20 CHED Cn1cc(CNc2ccc(C(F)(F)F)cc2)cc1C#N 189574683 WPIXBLKSIGPIMV-UHFFFAOYSA-N 279.265 3.528 30 20 CHED C=CC[C@@H](C)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 400602052 WYOASPOZUISWJL-KGLIPLIRSA-N 296.455 3.576 30 20 CHED C[C@@H](C1CC1)N(Cc1ccccc1)CC1(C#N)CCC1 450264046 YQGCHPJRMOTJCQ-HNNXBMFYSA-N 268.404 3.981 30 20 CHED CCCc1sc(C(=O)N[C@H](C#N)C(C)C)cc1CC 470159354 WFVKFVZQBSNUSM-GFCCVEGCSA-N 278.421 3.541 30 20 CHED CCCCCCCNC(=O)Nc1cccc(C(C)=O)c1 705865445 SCHIXCAQXBQXMA-UHFFFAOYSA-N 276.380 3.981 30 20 CHED Cc1cc(C#N)cc(NCc2ccc(C)cc2F)c1 686505410 ZXPXIKJXHPTLKQ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED N#CCc1ccc(CNc2ccc(F)c(F)c2F)cc1 399250295 XMDYDWIMRSCSOZ-UHFFFAOYSA-N 276.261 3.782 30 20 CHED C#CCCCN(C)c1ccc(NC(=O)OC(C)(C)C)cc1 860003178 WETSIARLISJUTI-UHFFFAOYSA-N 288.391 3.883 30 20 CHED CC1(C)CCC[C@H](c2noc(-c3cc(C#N)c[nH]3)n2)C1 339801702 SDODDOLAWYYYRR-NSHDSACASA-N 270.336 3.620 30 20 CHED CO[C@@H](COc1ccc(C#N)cc1C)c1ccccc1 555406832 CJNSMWZPENKIGY-KRWDZBQOSA-N 267.328 3.633 30 20 CHED Oc1ccc(Br)cc1/C=N\Cc1cccs1 103010978 UBEDIQMWEVEJRM-AUWJEWJLSA-N 296.189 3.835 30 20 CHED Cc1noc(C)c1[C@@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175787145 CCFLNIJBGNGQOD-PWSUYJOCSA-N 298.342 3.571 30 20 CHED Cc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 175494909 QUOFGCJMACDRFO-UHFFFAOYSA-N 282.368 3.863 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 69314013 ALCZVVZCZLOFQG-SNVBAGLBSA-N 287.281 3.625 30 20 CHED CC(=O)CCc1ccc(OCc2ccc(F)cc2C#N)cc1 103135476 GJWHFPNMECOIQW-UHFFFAOYSA-N 297.329 3.798 30 20 CHED N#Cc1cccc(OCCCOc2c(F)cccc2F)c1 106780731 PNTVOKINMXRDMV-UHFFFAOYSA-N 289.281 3.684 30 20 CHED C=CCCCC(=O)Nc1cccc(-n2nc(C)cc2C)c1 175281898 ITFIWJPBJGHPCI-UHFFFAOYSA-N 283.375 3.784 30 20 CHED Cc1cc2occ(C/C(O)=N/c3ncn[nH]3)c2cc1C(C)C 26263651 IQHXXAKXRFIIBM-UHFFFAOYSA-N 298.346 3.813 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1CCc1ccccc1 116971077 CPAUQMKWXGMRPZ-WBVHZDCISA-N 286.419 3.758 30 20 CHED CC[C@@H](Nc1ccc(F)cc1C#N)c1c(C)noc1C 301826612 MYRSXAGRHVXNMG-CYBMUJFWSA-N 273.311 3.865 30 20 CHED COc1ccc(CNc2c(Cl)cccc2C#N)cc1F 301341665 FWNKQIVOECUTHH-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@@H](CC#N)N(C)CCSc1ccc(Cl)cc1 175993940 YRDCZHGMZMGICM-NSHDSACASA-N 268.813 3.666 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 117398613 QYRVNVNRBHQJMA-HNNXBMFYSA-N 271.364 3.601 30 20 CHED COc1ccc(O)c(/C=N/CCOC2CCCCCC2)c1 118169793 VGMGHJZMHZPILX-QGOAFFKASA-N 291.391 3.559 30 20 CHED CC(C)(C)ON=Cc1cc(Br)cs1 308158872 TTZKULRYVOFWNO-UHFFFAOYSA-N 262.172 3.660 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(OC)cc1 60677776 RJLWNEFSHMVVJJ-UHFFFAOYSA-N 287.384 3.585 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)c2ncc(C)s2)n1 130581878 NDICXORBCPXTQB-LLVKDONJSA-N 272.377 3.508 30 20 CHED C[C@H](CNCc1ccc(C#N)s1)Cc1cccs1 176976178 ABNLLCUIMGPIQW-NSHDSACASA-N 276.430 3.650 30 20 CHED Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1Cl 303680486 RQHVOGFNBRWELM-BDJLRTHQSA-N 290.794 3.851 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc[nH]c1CCC 1262655652 UWIODZWFXCOPGP-CYBMUJFWSA-N 260.381 3.538 30 20 CHED C=CCOc1ccc(-c2nnc(SCC(F)F)o2)cc1 126252076 RNSVORFRGSNIBL-UHFFFAOYSA-N 298.314 3.659 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H](C)CC 189150359 RGGKEVNDBPMLGR-AWEZNQCLSA-N 275.392 3.646 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCc1ccc(F)cc1 186456130 HEWWSQSWYIDFQD-AWEZNQCLSA-N 282.362 3.933 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C2CC2)cc1 417355048 NCGUBYZEVFRRGE-AHIWAGSCSA-N 254.377 3.907 30 20 CHED CCC(CC)CNCc1cccc(O[C@@H](C#N)CC)c1 123013036 CWNRZRPJSDSIMO-MRXNPFEDSA-N 274.408 3.893 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@H](CC)CC(F)(F)F 413740804 NRAQKFSYKSRHEJ-VXGBXAGGSA-N 292.345 3.715 30 20 CHED C=C(C)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 509328195 PBKWROTVXWXQNY-KRWDZBQOSA-N 277.383 3.773 30 20 CHED Cc1cnc(CNc2cccc(C#Cc3ccccc3)c2)o1 127653589 OQWILBVCDXKMTP-UHFFFAOYSA-N 288.350 3.995 30 20 CHED CC(C)(CCC#N)CNC(=O)Cc1cccc(C2CC2)c1 412342393 UJPNCFVLOCKREL-UHFFFAOYSA-N 284.403 3.553 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1cccc(OC)c1 185026643 HWXFXNARJRDGSG-QGZVFWFLSA-N 285.387 3.552 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)CCc2cc(F)ccc21 186415646 LGCPJRSLYXYFCN-KPKJPENVSA-N 271.266 3.572 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1cccc(OC)c1 73934056 WWQBLDSWRIXJSI-ZDUSSCGKSA-N 293.432 3.600 30 20 CHED C=C(C)COC(=O)c1csc(Cc2cccc(F)c2)n1 182237853 DUKGRLRZUXTSHV-UHFFFAOYSA-N 291.347 3.606 30 20 CHED CCc1ccc(OCc2cccc(C#N)c2)c([N+](=O)[O-])c1 70497750 MOXDXHMIMIMPOO-UHFFFAOYSA-N 282.299 3.608 30 20 CHED Cc1nc(C(=O)Oc2cccc3ccccc23)ccc1C#N 75536329 WVCHPBKUXXPPHV-UHFFFAOYSA-N 288.306 3.634 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CC12CC2 416721231 GGAGHPGZBZIQHX-INIZCTEOSA-N 284.403 3.574 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccc(F)cc1F)C(C)C 181649566 YMLGTJRDJZZOMS-CJNGLKHVSA-N 283.362 3.579 30 20 CHED C#C[C@@H](NC(=O)c1c(Cl)cccc1Cl)C(C)(C)C 491739913 QINXMSGNPFYAGN-LLVKDONJSA-N 284.186 3.771 30 20 CHED COC(=O)c1ccc(F)c(N[C@@H](C)c2cccc(C#N)c2)c1 315665193 PHWISYSVDBCSRZ-NSHDSACASA-N 298.317 3.657 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 410116701 CHGYBEITJJFRQI-IEZWGBDMSA-N 283.415 3.752 30 20 CHED N#Cc1ccc(N2CC[C@H](COc3ccccc3)C2)c(F)c1 503296316 QIRQURCUIXKHSA-HNNXBMFYSA-N 296.345 3.603 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1 132650259 DXNXHGQZGZOFFS-SOFGYWHQSA-N 286.302 3.574 30 20 CHED N#C[C@@H](C(=O)c1cc(F)cc(F)c1)c1nc2ccccc2o1 41547753 HXLWZBCFRKLLCP-LBPRGKRZSA-N 298.248 3.596 30 20 CHED CC(C)Oc1cccc([C@H](C)NCc2cc(C#N)n(C)c2)c1 189583634 PNBNXBMAUAYYQI-AWEZNQCLSA-N 297.402 3.535 30 20 CHED Cc1ccc(Cl)c2c1CCCN2C(=O)CC(C)(C)C#N 411088910 QFYOETCWKWWCQP-UHFFFAOYSA-N 290.794 3.868 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@@H](CCC#N)c1ccccc1 181159612 PIRZPKWFECHRCV-DZKIICNBSA-N 272.392 3.830 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2oc(COC)nc2c1 135103269 YTQIBBOKEMIINJ-INIZCTEOSA-N 288.347 3.515 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)c(F)c1 189825052 MKCAAMJQPITBMF-MRVPVSSYSA-N 275.245 3.539 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)N(CC)c1ccc(C#N)cc1 410530852 XMRBMASFWVGWLY-GOEBONIOSA-N 270.376 3.737 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)CC(C)(C)C 48944852 DRMNXUGTPDLZCV-UHFFFAOYSA-N 274.364 3.720 30 20 CHED CC1(C)C[C@H](CNc2c(Cl)cccc2C#N)CCO1 413333351 JIGOMRKLUYVIFQ-LLVKDONJSA-N 278.783 3.829 30 20 CHED C=CC[C@@H](CC)NC(=O)CC(C)(C)c1ccccc1 410140009 OTAZXNAQMZCLQC-OAHLLOKOSA-N 259.393 3.825 30 20 CHED C#CCCCN[C@@H]1C[C@H](C)Sc2sccc21 224304042 HVRQNMMGIHMGDP-CMPLNLGQSA-N 251.420 3.677 30 20 CHED C#CCSCCN[C@H](c1ccccc1)c1ccc(F)cc1 226326428 GWGMVZSCGXTSMU-GOSISDBHSA-N 299.414 3.871 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2cc(C#N)cs2)cc1 84070219 IKGVWQMVZYEXFI-LLVKDONJSA-N 284.384 3.673 30 20 CHED CC[C@H](N[C@H](C)[C@@](C)(OC)C1CC1)c1ccc(C#N)cc1 414250431 XVDWQJGCJDGFES-JEBQAFNWSA-N 286.419 3.803 30 20 CHED C=CCCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 338568473 NEWBLAVQZYHLPH-JTQLQIEISA-N 290.354 3.917 30 20 CHED COc1ccsc1C(=O)/C=C\c1cccs1 222637218 SLOFVMQBEOWTLG-PLNGDYQASA-N 250.344 3.714 30 20 CHED C=C(C)COCCNC(=O)Nc1ccccc1C(C)C 136896798 PRDVBWDVPCWZES-UHFFFAOYSA-N 276.380 3.524 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccccc1 133896157 JHPJKVXSUOWWMT-ZACQAIPSSA-N 269.388 3.856 30 20 CHED O/C(=N/C[C@@H]1CCCS1)Nc1nc2ccccc2s1 329850853 ZYKVQMIMODNCPL-VIFPVBQESA-N 293.417 3.518 30 20 CHED CC[C@H](C(=O)N[C@]1(C#N)CCC[C@H](C)C1)c1ccccc1 193343541 PCVDMYBEHCABHC-QILLFSRXSA-N 284.403 3.769 30 20 CHED CC(C)(C#N)CCCOc1ccc(C=O)cc1Cl 87599107 BWGBDWCNWIHAHE-UHFFFAOYSA-N 265.740 3.861 30 20 CHED Cn1cccc1[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 426369238 GORKAPZOPDREDQ-SFHVURJKSA-N 298.817 3.867 30 20 CHED C#CCCCC(=O)NCC1(c2ccc(F)cc2)CCCC1 192076849 LGNKDRQKCIEQHQ-UHFFFAOYSA-N 287.378 3.557 30 20 CHED CC[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1 48408097 VYLVKZHKTVLRKC-LLVKDONJSA-N 291.372 3.531 30 20 CHED CC1=C(C(O)=Nc2cc(C)c3c[nH]nc3c2)CCC1 329056370 MGMKYMSDWDWKIJ-UHFFFAOYSA-N 255.321 3.960 30 20 CHED CCC(=O)Nc1cccc(CNc2cccc(F)c2C#N)c1 515480185 KUSCYEXVOHNNHI-UHFFFAOYSA-N 297.333 3.658 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CC1 190970485 HDBRMHGUZBCMKW-RHSMWYFYSA-N 299.418 3.668 30 20 CHED O/C(CC/N=C(/O)[C@@H]1CCCCS1)=N/C1CCCCC1 329328040 KGTHBSCJXFQPGP-ZDUSSCGKSA-N 298.452 3.908 30 20 CHED N#Cc1ccc(F)cc1COc1cccc(Cl)c1 229946919 OEDIARMUUVWKNO-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CCCCCCCCS(=O)(=O)Cc1cnc(C)s1 190916874 HAWLEMJYMHOECV-UHFFFAOYSA-N 289.466 3.727 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(-c2cccs2)ns1 425251941 YRBVFYGVXRHJKU-UHFFFAOYSA-N 293.417 3.807 30 20 CHED C[C@@H](SCC(=O)Nc1ccccc1)c1cccc(C#N)c1 190906273 SXMHICMNBJFSDI-CYBMUJFWSA-N 296.395 3.991 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](C)Cc1ccc(OC)cc1 424751715 NJEGYRZAKTXUGJ-CQSZACIVSA-N 289.419 3.592 30 20 CHED C[C@@H]1C[C@@H](C(=O)N2CCC(CCC#N)CC2)CC(C)(C)C1 335501947 SUHFLMKWQMQUAU-GDBMZVCRSA-N 290.451 3.991 30 20 CHED C=CCn1c(SC(C)C)nnc1-c1ccccc1F 192624269 ZBSOMRILZXLCKL-UHFFFAOYSA-N 277.368 3.771 30 20 CHED C=CCCCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 192086448 OIFFXEQQUMHSNS-GJZGRUSLSA-N 283.774 3.865 30 20 CHED CN(Cc1c(Cl)cccc1Cl)c1ccc(C#N)nc1 426497147 PROLQBYTIUOFAY-UHFFFAOYSA-N 292.169 3.896 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCC2)c(Cl)cc1F 288941143 WJTNMPITWQMFEH-UHFFFAOYSA-N 280.730 3.810 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc([S@@](C)=O)cc1 92261666 NBPVYXPSAYIJKC-NRFANRHFSA-N 299.439 3.612 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cc(F)cc(C(F)(F)F)c2)C1 424207150 XIXOBYPDLGPVNN-TVQRCGJNSA-N 286.272 3.626 30 20 CHED C[C@@]1(C(O)=Nc2cnc3c(c2)CCCC3)C[C@H]2CC[C@H]1O2 330050802 MJCGIBCHEAVLOZ-FRFSOERESA-N 286.375 3.506 30 20 CHED COc1cc(CN2CCCc3ccccc32)ccc1C#N 234995070 GWSSWOMOGWFBBL-UHFFFAOYSA-N 278.355 3.520 30 20 CHED Cc1cccc([C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c1C 333606002 VXVYOTCEOJJCFG-HNAYVOBHSA-N 296.414 3.955 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)OCCCC 145220444 QJTIKYOGJJVVRP-CQSZACIVSA-N 293.382 3.546 30 20 CHED N#CCN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C1CCCC1 513364896 BQQHBZWVUAFOFV-BHYGNILZSA-N 288.435 3.888 30 20 CHED Cc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1 93492411 CBCCDYCGGBAOTD-LBPRGKRZSA-N 256.374 3.779 30 20 CHED N#Cc1ccc(Oc2nccc(Oc3ccccc3)n2)cc1 433022257 UMGRGMCGONUOIM-UHFFFAOYSA-N 289.294 3.933 30 20 CHED C=CCC[C@@H](NC(=O)c1cccc(C)n1)c1ccccc1 435296003 QWEWJOMXJUYBMT-MRXNPFEDSA-N 280.371 3.827 30 20 CHED C=CC[C@H](CO)CN[C@H](CCC)c1ccc(Cl)cc1 540393445 JTNJDIDOCWRLHW-XJKSGUPXSA-N 281.827 3.955 30 20 CHED CCCc1nc(CN(CC(C)C)c2ccc(C#N)cc2)no1 346657848 ZYBDXDBOWHPLRX-UHFFFAOYSA-N 298.390 3.556 30 20 CHED C[C@H](SC[C@@H]1CCCOC1)c1cccc(C#N)c1 526948493 GLAZCTOBWFXDOS-GXTWGEPZSA-N 261.390 3.779 30 20 CHED N#CCCN(C/C=C\c1ccc(F)c(F)c1)CC1CC1 347801239 CPQOEGPPTAUBJK-IWQZZHSRSA-N 276.330 3.604 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)N(C)c1ccc(C#N)cc1 439930473 DUXYCCMKLLACMC-CYBMUJFWSA-N 296.345 3.539 30 20 CHED Cc1nsc(NC[C@H](C)Cc2cccs2)c1C#N 342355722 DRMHDVOCZHKKOZ-SECBINFHSA-N 277.418 3.675 30 20 CHED C=CCCCS[C@H](C)C(=O)NCC1CCCCC1 609804865 PUGFQNZVNASGTG-CYBMUJFWSA-N 269.454 3.771 30 20 CHED CN(C)c1c(CNc2ccc(C#N)cc2)ccc(F)c1F 600851240 WZSWNDZGWMCJMM-UHFFFAOYSA-N 287.313 3.515 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc(Cn2ccnc2)cn1 348847949 LDGCJRKDMOQQLH-MRXNPFEDSA-N 284.407 3.873 30 20 CHED C=CCN(CCC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 430089722 LEWFLBLCIDEPDM-QZTJIDSGSA-N 268.404 3.898 30 20 CHED Cc1cccc2nc(CSc3ccc(C#N)cc3)cn12 345981506 PFULWTIPENEISS-UHFFFAOYSA-N 279.368 3.807 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2cc(Cl)ccc2O)cn1 255060965 OZGLHNMKFOFPKQ-HYXAFXHYSA-N 290.750 3.719 30 20 CHED Cc1ccc2c(c1)[C@H](NCC(C)(C)CCC#N)CC2 348224242 IOINJNYEXSGOFY-MRXNPFEDSA-N 256.393 3.902 30 20 CHED COc1ccc([C@H](C)NCCCC#N)c2ccccc12 346840015 UGLNDLNYFFNCDU-ZDUSSCGKSA-N 268.360 3.803 30 20 CHED N#Cc1ccccc1/C=C1\Cc2ccc(F)cc2C1=O 255154533 KJMJQYRTBHBUFW-VGOFMYFVSA-N 263.271 3.520 30 20 CHED C=CCOc1ccccc1CNC(=O)c1cccn1C(C)C 343342835 MDAABHSWPNPFKO-UHFFFAOYSA-N 298.386 3.564 30 20 CHED Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cccc(C#N)n2)o1 602488060 ZFYYSLOJHOLEMO-CXAGYDPISA-N 295.386 3.828 30 20 CHED COc1cc(C)c([C@H](C)NC[C@H](C)CCC#N)cc1OC 602516016 VDNDBQLCCQLDGH-OCCSQVGLSA-N 290.407 3.603 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCCCC#N)cc1 345819756 SUZMVEOYIOKSGG-RDJZCZTQSA-N 299.418 3.781 30 20 CHED CC(C)Oc1ccccc1C=NOCc1cccc(C#N)c1 255339292 NFPJDGXQKPUUTO-UHFFFAOYSA-N 294.354 3.896 30 20 CHED COc1ccsc1[C@H](C)NCCc1cccc(C#N)c1 343511626 LUGSSYNYJPJOHQ-LBPRGKRZSA-N 286.400 3.522 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 523961798 DUFSYNFKSHFDEA-BPNCWPANSA-N 297.320 3.890 30 20 CHED CCN(C(=O)C1CCCC1)[C@H](C)c1ccc(C#N)cc1 252012221 SRZDRPGTWXDSFH-CYBMUJFWSA-N 270.376 3.658 30 20 CHED C[C@H](CCC#N)CN1CCC(CN2CCCCCC2)CC1 602439849 LQHAXVFNUMDIKI-QGZVFWFLSA-N 291.483 3.514 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CC[C@@H]1c1ccccc1 602714547 BKLPZAOWSIDHLH-KBAYOESNSA-N 298.430 3.621 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C)c(C(C)=O)c1 352535029 LNTXHTFMEPECSA-UHFFFAOYSA-N 273.376 3.530 30 20 CHED C=CCOCCCSCc1cccc(OC)c1 356044061 PYJOKOXBCFQSPC-UHFFFAOYSA-N 252.379 3.521 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1ccc(C#N)c(C#N)c1 353258373 JLCGGFHCQTZRDT-UHFFFAOYSA-N 293.326 3.707 30 20 CHED Cc1cc(CCNC[C@@H](C)CCC#N)ccc1Cl 602677702 RYUTVSNSIIAZCP-LBPRGKRZSA-N 264.800 3.720 30 20 CHED CCC[C@@]1(COC)CCCN1Cc1ccc(CC#N)cc1 447392218 HHNREPDUSBNUSZ-SFHVURJKSA-N 286.419 3.534 30 20 CHED COc1ccc(C#N)cc1NCc1ccc2c(c1)CCC2 352038905 AQTJGALSPNXGQJ-UHFFFAOYSA-N 278.355 3.668 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)cc2C#N)[C@H]1C#N 444722356 HQRNGJVZUAVRMY-HNNXBMFYSA-N 287.794 3.726 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2ccc(F)cc2F)c1C 263773076 MQAUBNYOQJOPSG-BQYQJAHWSA-N 290.313 3.694 30 20 CHED CC[C@@H](C)CN(CC)C(=O)C[C@H](CC#N)c1ccccc1 356276690 ZGLLXNHPWJUREQ-WBVHZDCISA-N 286.419 3.969 30 20 CHED CC[C@H](NC[C@@]1(C)CCCC[C@@H]1O)c1ccc(C#N)cc1 447588715 WAAKCPIQATUDHI-OKZBNKHCSA-N 286.419 3.540 30 20 CHED C[C@@H]1C[C@H](CC(=O)Nc2cc(CC#N)ccn2)CC(C)(C)C1 531670193 RZNYBMILVQJNQJ-UKRRQHHQSA-N 299.418 3.939 30 20 CHED N#Cc1cc(F)c(N[C@H]2CCOC3(CCCC3)C2)c(F)c1 268980782 RDADBMVDJIHMBA-LBPRGKRZSA-N 292.329 3.740 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/Cc2ccccn2)cc1 263113428 FGQUWHGJLMAQKT-CYBMUJFWSA-N 282.391 3.522 30 20 CHED CC(C)(CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl 442776653 HPUJXWYXQZMDLZ-CHWSQXEVSA-N 276.811 3.899 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(Cl)c(F)c1 535580862 UVGCBBVQDVUBCC-LLVKDONJSA-N 299.773 3.671 30 20 CHED C=C[C@@H](Sc1nc2cc(Cl)cc(C)c2o1)C(=O)OC 619689602 SCIXOTSAOKOUNS-SNVBAGLBSA-N 297.763 3.609 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)C1CCC(C(F)(F)F)CC1 449700259 SRPJYTZXWSUQAT-GFJIZPEISA-N 293.373 3.660 30 20 CHED Cc1cc2ccc(C(=O)Nc3ccc(CC#N)cc3)cn2c1 619866125 XZLCYMRDOZIGSN-UHFFFAOYSA-N 289.338 3.566 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 353397811 KBTXPCCCWABMGJ-YABSGUDNSA-N 289.354 3.644 30 20 CHED C=CC[C@H]1CCCN(C(=O)COC/C=C\c2ccccc2)C1 617782316 CECZANBXAMLOGP-IKPBFSQCSA-N 299.414 3.531 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 355649439 ZPMAVWNZQMOOEL-RDTXWAMCSA-N 297.402 3.753 30 20 CHED Cc1csc([C@H](C)Nc2ncc(Cl)c(C)c2C#N)n1 612079438 GUPXFAPLLYRTLI-VIFPVBQESA-N 292.795 3.853 30 20 CHED CC(C)n1ccnc1Sc1ccc(Cl)c(C#N)n1 267272520 ZZNZXFRTJBSRRS-UHFFFAOYSA-N 278.768 3.535 30 20 CHED COC1(c2noc(CCCCCC#N)n2)CCCCC1 351127548 HCNZHJAOEQUOKP-UHFFFAOYSA-N 277.368 3.502 30 20 CHED Cc1ccccc1[C@H]([C@H](C)N[C@H]1CCC[C@H](C#N)C1)N(C)C 618577588 MIURGYTXLTXYPZ-DWRORGKVSA-N 299.462 3.658 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1cccc(Cl)c1C#N 450500003 MCQLPXZHCYEFNK-XHDPSFHLSA-N 276.767 3.605 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)[nH]c1C)c1cc(C)ccc1C 530095431 HOKUBBVOIKJZSA-KRWDZBQOSA-N 295.386 3.693 30 20 CHED CC#CCNC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 534943069 IYOKRHAGZDKRHE-JTQLQIEISA-N 299.201 3.719 30 20 CHED C=CCCCC(=O)N1CC2(CCC2)c2ccccc21 360496262 RBJNRYLLCWVOAZ-UHFFFAOYSA-N 255.361 3.811 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1NC 451598746 FKEHDINCPIZEJE-JTQLQIEISA-N 299.296 3.517 30 20 CHED Cc1cncc([C@H](C)NCc2ccc(C#N)c(Cl)c2)c1 619754797 KUIZJBKGXZYZJA-LBPRGKRZSA-N 285.778 3.766 30 20 CHED C=CC[C@@H]1N(C(=O)c2coc(CCC)n2)CCCC1(C)C 277907263 GPJTYQCZUXKALM-AWEZNQCLSA-N 290.407 3.834 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H](C)CCc2cccn2C)c1 272603448 YBVAOGHJNOUGQJ-ZDUSSCGKSA-N 295.386 3.533 30 20 CHED C[C@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccncc1 611142016 KXWPMAJJMFCWRV-RDTXWAMCSA-N 299.418 3.554 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(C)ccc1OC 540537361 MWUDGQPUJYMYDU-CYBMUJFWSA-N 276.380 3.870 30 20 CHED CCCCOc1ccc(CNCCCC#N)cc1OCC 273018796 DIBIWUGBOLJXKS-UHFFFAOYSA-N 290.407 3.658 30 20 CHED C[C@]1(NCC2(C#N)CCC2)CCCc2ccccc21 450551454 FKHFEECOFUSFSO-INIZCTEOSA-N 254.377 3.522 30 20 CHED C[C@H](NCCC1CC(F)(F)C1)c1ccc(C#N)c(F)c1 453415008 JQKPVLOQWKWZLK-JTQLQIEISA-N 282.309 3.783 30 20 CHED C=CCOc1ccccc1C(=O)N1CCc2c(C)cccc21 621616786 URDXDBOQHMPEGF-UHFFFAOYSA-N 293.366 3.763 30 20 CHED CSc1ccccc1C[C@H](C)NCC(C)(C)CC#N 459727483 GODZSIYZUMAQEE-ZDUSSCGKSA-N 276.449 3.869 30 20 CHED CC[C@@H](CC(F)(F)F)NC(=O)Nc1cc(C)cc(C#N)c1 455951649 HNRXWKMIBHOPTJ-NSHDSACASA-N 299.296 3.719 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cccc(CC#N)c1 455904931 KPUBZOKMBUPSAL-STQMWFEESA-N 285.391 3.699 30 20 CHED C=CCOc1ccccc1CNC(=O)C1=CC[C@@H](C)CC1 455598829 OMJCROCRHANNFT-CQSZACIVSA-N 285.387 3.614 30 20 CHED N#CCCCOc1cccc(N[C@H]2CCC[C@H]3C[C@H]32)c1 548884551 YPPOOUSKXQKBOC-XKQJLSEDSA-N 270.376 3.970 30 20 CHED C=CCCC(=O)N([C@@H](C)COC)[C@@H]1CCc2ccccc21 629749489 MYWLBTBSECSGSF-WMLDXEAASA-N 287.403 3.504 30 20 CHED Cc1ccc(CSc2ncccc2C#N)cc1C 467800249 XRNUIFBBINDVTD-UHFFFAOYSA-N 254.358 3.862 30 20 CHED N#Cc1cc(C(=O)NCC2(C3CC3)CCC2)ccc1Cl 543456195 UBZOGZAGKWQJFN-UHFFFAOYSA-N 288.778 3.522 30 20 CHED CC#CCCCC(=O)N1CCCCc2cc(OC)ccc21 466278873 ZBNQZIPFXWKNIL-UHFFFAOYSA-N 285.387 3.558 30 20 CHED CCCCCCCCC(=O)N1CC[C@](CO)(C(C)C)C1 378025721 MKTHKQIEVZAGRB-KRWDZBQOSA-N 283.456 3.604 30 20 CHED C#CC[C@H](NC(=O)Nc1cc(C(C)C)on1)c1ccccc1 270329339 LZUXRUXXUWVMCU-AWEZNQCLSA-N 297.358 3.684 30 20 CHED CC(C)Oc1cccc([C@H](C)NC(=O)CC(C)(C)C#N)c1 278197562 FRSRYOTZIZEAKL-ZDUSSCGKSA-N 288.391 3.591 30 20 CHED N#CCc1ccc(CSc2ccc(C#N)cc2)cc1 543153158 BXFBUXAYMORHLW-UHFFFAOYSA-N 264.353 3.917 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(C)c(Cl)c1 627327308 UOWZGBDJUUCZSW-CYBMUJFWSA-N 292.810 3.649 30 20 CHED CC1(C)CN(c2ccc(C#N)cn2)[C@@H]1c1cccs1 288340385 WGUCPVBXPLBECO-CQSZACIVSA-N 269.373 3.602 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N(C)Cc1ccc(C#N)cc1 285320521 FQGNLKQJHXGGGP-UHFFFAOYSA-N 296.370 3.855 30 20 CHED CC#CCCCC(=O)Nc1ccc2cn(C(C)C)nc2c1 468868845 FIMIBZIUGAPCQZ-UHFFFAOYSA-N 283.375 3.749 30 20 CHED N#Cc1cccc(SCCc2ccc([N+](=O)[O-])cc2)c1 468642979 NHMOPYAKOXLBTP-UHFFFAOYSA-N 284.340 3.801 30 20 CHED C=CCCCC[C@H](C)NCc1cccc2c1OCO2 557413549 SPICSDXDQDYAGN-ZDUSSCGKSA-N 261.365 3.640 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC(C)(CC)CC1 466379838 GZVJNWYQEMUWRW-CYBMUJFWSA-N 252.402 3.563 30 20 CHED N#Cc1cc(N[C@H]2C[C@@H]2C(F)F)ccc1C(F)(F)F 553704946 JTVWXBARMMHKFD-WPRPVWTQSA-N 276.208 3.643 30 20 CHED Cc1ncsc1CSCCOc1cccc(C#N)c1 290612868 KMRWWMWYLHRZGN-UHFFFAOYSA-N 290.413 3.635 30 20 CHED C=CCCCCNC(=O)c1occc1COc1ccccc1 471670865 JENYIIAUKCVRFN-UHFFFAOYSA-N 299.370 3.945 30 20 CHED CCC(=O)CCCN(CC)[C@@H](C)c1ccc(C#N)cc1 290119928 UDYYJGGVNRMPCI-AWEZNQCLSA-N 272.392 3.700 30 20 CHED C[C@@H](C#N)OCCNc1ccccc1CCC(F)(F)F 802743744 OZJJXSQMLDLIDU-NSHDSACASA-N 286.297 3.522 30 20 CHED C=CCC[C@@H](C)Nc1ccc(F)cc1-c1nnc(C)o1 475342385 LQCVHHDMYWOBCJ-SNVBAGLBSA-N 275.327 3.951 30 20 CHED C=CCC(C)(C)c1noc(Cc2cccc(COC)c2)n1 568046605 RPQFESJISRXDEG-UHFFFAOYSA-N 286.375 3.661 30 20 CHED C=CCC[C@@H](NC(=O)c1cccnc1F)c1ccccc1 807112727 BXUFSRKFUDGBSN-OAHLLOKOSA-N 284.334 3.658 30 20 CHED C=CCCCCNC(=O)[C@H](C)c1cccc(Cl)c1 471674275 QJXIEKLJTMBUKJ-GFCCVEGCSA-N 265.784 3.916 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H]1CCC(C)(C)C1 474658820 JDBUQQNZIITWRQ-KGLIPLIRSA-N 266.429 3.951 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@H]1C1CC1 806004201 NUCCVSSVJBABPN-OAHLLOKOSA-N 264.413 3.707 30 20 CHED CSc1ccc(COC(=O)CCCCCC#N)cc1 805696996 NVRUTTDTWIXVFJ-UHFFFAOYSA-N 277.389 3.926 30 20 CHED C=CCCCCNC(=O)CSc1ccc(OCC)cc1 471673114 BXXQHLGJYIEXGQ-UHFFFAOYSA-N 293.432 3.650 30 20 CHED N#CCCNc1ccc(CN2CCc3ccccc32)cc1 567703046 WTNLUUAHKDHDDH-UHFFFAOYSA-N 277.371 3.575 30 20 CHED Cc1nc(C(=O)N(CC(C)C)c2ccccc2)ccc1C#N 298300685 BLSGNLSHKOASEF-UHFFFAOYSA-N 293.370 3.565 30 20 CHED C#CCCCc1nc(Cc2ccc(Cl)cc2Cl)no1 809237598 HIGDYQMVMMJGMV-UHFFFAOYSA-N 295.169 3.923 30 20 CHED Cc1nc(CCSc2ccc(C#N)c(C)c2)cs1 566223182 CJBGQMGYCRYRTN-UHFFFAOYSA-N 274.414 3.966 30 20 CHED C=C[C@@H](CC(=O)Nc1nc(CC)co1)c1ccccc1 566421652 UKPDFWIWACCWNH-LBPRGKRZSA-N 270.332 3.535 30 20 CHED CCOC1CC(=NNc2ccc(C#N)cc2C(F)(F)F)C1 814923311 OXQDESYCQIVAFV-UHFFFAOYSA-N 297.280 3.544 30 20 CHED C=CCC(F)(F)C(=O)OCc1cccc(C(F)F)c1 815311374 ICRVOYMHILFDSC-UHFFFAOYSA-N 276.229 3.879 30 20 CHED COc1ccc2c(c1)N(CCC(C)(C)C#N)CCCC2 561688088 YIJSIDDBYSLSHU-UHFFFAOYSA-N 272.392 3.778 30 20 CHED Clc1cnc(C=NNc2cccc3cnccc23)s1 814835953 FXLWXISSQARSAG-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=CCCCCS(=O)(=O)[C@@H](C)c1ccccc1 567588494 IMWFSKILPGYVKI-ZDUSSCGKSA-N 252.379 3.519 30 20 CHED CCc1ccc(C=NN[C@@H](C)COc2ccccc2)s1 811666396 BZHCAQIJXOTXFO-ZDUSSCGKSA-N 288.416 3.702 30 20 CHED N#Cc1ncccc1N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 569133000 NSMMSVRRZJBVID-UKRRQHHQSA-N 281.334 3.841 30 20 CHED COCCCON=C/C(C)=C\c1ccccc1OC(F)F 811650375 WWBPXTGFEUSAER-UXZDFTMUSA-N 299.317 3.730 30 20 CHED C=CCN(CCOC)Cc1ccc(Oc2ccccc2)o1 483430298 IJCLSRPOPGHPPX-UHFFFAOYSA-N 287.359 3.706 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 814858622 AKISQXPDYGPWMW-AWEZNQCLSA-N 279.330 3.774 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCCCCCC1 814459684 ZBKYNUAWFWKSIN-UHFFFAOYSA-N 252.402 3.564 30 20 CHED COCC(Cc1ccccc1)=NNc1cc(F)cc(F)c1 814813513 QMUIZLUYECTESK-UHFFFAOYSA-N 290.313 3.622 30 20 CHED Cc1csc(NC(=O)N[C@@]2(C)CC=CCC2)c1C#N 578022906 ICNVNTMHLCPTFE-AWEZNQCLSA-N 275.377 3.549 30 20 CHED C=CCN(C(=O)N1CCC(Cc2ccccc2)CC1)C1CC1 486089052 NQTVZTDDEDULOL-UHFFFAOYSA-N 298.430 3.712 30 20 CHED C=CCN(Cc1cc2c(C)cc(C)cc2[nH]1)C1CC1 482535856 XKQSFTJMDFHQOF-UHFFFAOYSA-N 254.377 3.935 30 20 CHED CC1(C)CC(=NNc2cc(Cl)nc(Cl)c2)C1 819828473 FFBOXVICCBLVFT-UHFFFAOYSA-N 258.152 3.976 30 20 CHED Cc1[nH]c(=N[C@@H](C)c2cccc(OC(C)C)c2)ccc1C#N 488063176 JGRJYKHCOCHAGN-ZDUSSCGKSA-N 295.386 3.644 30 20 CHED C[C@H](NN=Cc1ccc(C2CC2)cc1)c1ccncc1 819819205 UCHYMHCOAYOZJY-ZDUSSCGKSA-N 265.360 3.644 30 20 CHED C=CCOc1ccccc1-c1nc(-c2ccc(C)o2)no1 571803712 NWNXXITUAKTECB-UHFFFAOYSA-N 282.299 3.870 30 20 CHED C=CCOc1ccc(CN2CCC(CCC#N)CC2)cc1 579475211 VJIYAQSEJCNPCC-UHFFFAOYSA-N 284.403 3.767 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccccc1C#N 814863755 AHBNMHDUFXLJBZ-UHFFFAOYSA-N 289.260 3.812 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 816704050 DVLOTTDOEKUCKV-NEPJUHHUSA-N 273.367 3.871 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)c2ccccc21 573280689 OOTWGEHBOVFWMF-ZDUSSCGKSA-N 291.354 3.908 30 20 CHED N#CCCCC(=O)O[C@H]1CCc2c(OCC3CC3)cccc21 813075873 CPLANSHYYNVNPC-KRWDZBQOSA-N 299.370 3.700 30 20 CHED CCCCC[C@@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 810252605 RGEVGJIVWXHTRZ-LLVKDONJSA-N 277.343 3.788 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)n(C(C)C)c2C)c1 819399472 VLNUQMQBDPZLLR-UHFFFAOYSA-N 280.371 3.919 30 20 CHED Cc1ccsc1-c1noc(COc2ccccc2C#N)n1 577668029 SZLXMRFNTZAMLD-UHFFFAOYSA-N 297.339 3.557 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)CCC 578985047 OFSQVBJBBJPJBV-OAHLLOKOSA-N 291.439 3.805 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccnc(N2CCCC2)c1 657831918 GOOPCNGFAMUHLR-QZTJIDSGSA-N 299.462 3.906 30 20 CHED C=CCCC(C)(C)NCc1cncc(Br)c1C 657806043 GSFLRKZBCVYPKS-UHFFFAOYSA-N 297.240 3.987 30 20 CHED C#CCCOC(=O)c1cc2c3ccccc3n(C)c2s1 727042546 JNZUIXGQWJTXKW-UHFFFAOYSA-N 283.352 3.573 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CC[C@@H](C)CC)cc1 572077129 UESVFNTVMLZKCU-BBRMVZONSA-N 272.392 3.756 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572844208 MRWACEJORHRACO-OWLYRPNTSA-N 296.414 3.747 30 20 CHED Cn1c(SCC(C)(C)CC#N)nnc1-c1ccccc1 571821978 ZLGVDEJAFIINQT-UHFFFAOYSA-N 286.404 3.514 30 20 CHED C#CCCCOc1cccnc1N1CCC[C@@H](C)CC1 820645057 NXHVYUFEYARGGL-OAHLLOKOSA-N 272.392 3.500 30 20 CHED COc1cccc(NN=C(C)c2cc(Cl)ccc2O)c1 725853184 MJRFGUGTMFSSRP-UHFFFAOYSA-N 290.750 3.890 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](CCC)c2ccccn2)c1 729554196 VTNGOTFIGPBCOG-QGZVFWFLSA-N 293.370 3.726 30 20 CHED CN(C(=O)C#Cc1cccs1)[C@@H]1CCCc2ccccc21 824516653 NANMPBLTRRKIEV-QGZVFWFLSA-N 295.407 3.636 30 20 CHED C=CCCCC(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 495122185 XLLIOESQLJTHOL-DLBZAZTESA-N 287.403 3.597 30 20 CHED C(=NNc1cnc2ccccc2n1)c1ccc2ncccc2c1 727258863 VHMWOCZFWUVMNA-UHFFFAOYSA-N 299.337 3.624 30 20 CHED C#C[C@@H](NC(=O)N(CC1CCC1)C(C)C)c1ccccc1 820595999 UJRSYNJXCLKAMV-QGZVFWFLSA-N 284.403 3.581 30 20 CHED CCN(Cc1cc(C#N)ccc1Br)C1CCC1 492788750 JPDCGFGFACVWTF-UHFFFAOYSA-N 293.208 3.695 30 20 CHED C#CCN(C(=O)c1cnc(C(C)C)s1)C1CCCCC1 490853758 UTBXWKNNFZVIHU-UHFFFAOYSA-N 290.432 3.675 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccsc2C(F)F)C1 905930634 ZFAPBNSZNFRBJR-IUCAKERBSA-N 285.315 3.925 30 20 CHED CC(C)CC1(C)CCN(c2ccc(C#N)cn2)CC1 582747289 MEJKEEOUSYRFBY-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C#CCN(C)C(=O)Nc1ccc(-c2ccccc2)cc1C 491144173 HOMLIDIVOKPJIP-UHFFFAOYSA-N 278.355 3.759 30 20 CHED C=CCCO[C@@H](C)C(=O)NCc1ccc(C(C)(C)C)cc1 499065075 PADLDGVWLJWCIT-AWEZNQCLSA-N 289.419 3.582 30 20 CHED CCn1cc(/C=C2/Oc3c(cccc3C(C)(C)C)C2=O)cn1 732529980 FWUMLVKSNLLMLS-OQLLNIDSSA-N 296.370 3.817 30 20 CHED C=CCCCOC(=O)C[C@H](C)c1ccccc1F 735535303 UHRHTQOODLQLNC-LBPRGKRZSA-N 250.313 3.829 30 20 CHED CCC(Cc1cccs1)=NNc1cccc(C(=O)O)c1 730946044 YZSYYVDMNZDXGN-UHFFFAOYSA-N 288.372 3.867 30 20 CHED C=CCCCCN[C@H](CCO)c1ccc(Cl)cc1 581113012 VIYZIIXPSORYFQ-OAHLLOKOSA-N 267.800 3.709 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cncn1C(C)C)CC2 901486304 AQHMAYBXRLRQHW-DHDCSXOGSA-N 280.371 3.985 30 20 CHED Fc1ccccc1CNN=C1CCC2(CCOCC2)CC1 835012422 XILOOLVMJMYGIO-UHFFFAOYSA-N 290.382 3.642 30 20 CHED CCC[C@@H](NCC1(C#N)CCC1)c1ccc(OC)cc1 903032496 UWWRAYWPXMXQIH-MRXNPFEDSA-N 272.392 3.820 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1C=NOCCC(F)(F)F 901222281 FMUIVCAMWFNHDN-UHFFFAOYSA-N 296.632 3.551 30 20 CHED Cc1cncc(C(=O)/C=C\C2=Cc3ccccc3OC2)c1 588476322 KBCQDGXDCHQBCP-SREVYHEPSA-N 277.323 3.605 30 20 CHED C#CCOc1cccc(N=Cc2ccc(OCC)cc2O)c1 730950522 FCBVCYVKEUQRNF-UHFFFAOYSA-N 295.338 3.554 30 20 CHED CCCN(C(=O)CCCC#N)c1ccc(CC)cc1 836852212 TWDVMQFPOKCIPL-UHFFFAOYSA-N 258.365 3.686 30 20 CHED N#CCCCCCC(=O)N[C@H](c1cccs1)C1CC1 588746550 KRPXZOBKOJBJKX-HNNXBMFYSA-N 276.405 3.789 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1ncc(C)s1)C2=O 834417629 VLFPETBQMLMGHD-SDQBBNPISA-N 285.368 3.727 30 20 CHED Cc1ccccc1[C@H](Nc1cc(C#N)ncn1)C(C)(C)C 583477817 DNBAOWYZWDICQC-INIZCTEOSA-N 280.375 3.856 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)OCCCC(C)(C)C#N 830252895 SWEYAAFAARZQDS-QWHCGFSZSA-N 265.397 3.932 30 20 CHED C#CCOc1ccccc1OC/C=C/c1ccccc1 730566915 OYILJPUBMCHWDS-DHZHZOJOSA-N 264.324 3.791 30 20 CHED C#CCOc1ccc(NC(=O)NCCC2=CCCCC2)cc1 731115135 ZTDYPZJINVROIM-UHFFFAOYSA-N 298.386 3.711 30 20 CHED COc1cccc(C=NNc2cc(C)ccc2C)c1OC 916346164 WWOIXFCCFONOOY-UHFFFAOYSA-N 284.359 3.767 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(C(=O)C#CC(C)(C)C)C1 837643049 KUEXUWRROGNOBW-GOEBONIOSA-N 269.388 3.646 30 20 CHED Cc1ccc2c(c1F)N(C(=O)CCCCCC#N)CCC2 591008616 IXQPKMUWNHKVJB-UHFFFAOYSA-N 288.366 3.887 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 835158785 KXZRKKOMJGEANZ-UWVGGRQHSA-N 285.265 3.811 30 20 CHED CC[C@H](c1ccc(F)cc1)N1CCC[C@H](CC#N)C1 595616734 WQBPIWGVBWVYED-CZUORRHYSA-N 260.356 3.902 30 20 CHED N#C[C@H](NC(=O)/C=C/C1CCCCC1)C1CCCCC1 748720354 XSHGBDPHZYHAFQ-PCUGXKRQSA-N 274.408 3.712 30 20 CHED C=C(C)CNC(=O)c1cccc(SC(F)(F)F)c1 832501973 DOIPGJHDJVEGOH-UHFFFAOYSA-N 275.295 3.604 30 20 CHED CC(CCCc1cccnc1)=NNCC1(C)CCCC1 834981523 RGUUZTGZFQSURS-UHFFFAOYSA-N 273.424 3.950 30 20 CHED CCO[C@@H]1CC(=NNc2ncccc2Cl)C12CCCC2 743437692 GYLBZWGLVWZZPY-CYBMUJFWSA-N 293.798 3.872 30 20 CHED Cc1ccccc1N(C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 598896082 YZXPJFLFGSLIFS-HNNXBMFYSA-N 292.382 3.708 30 20 CHED C=C(C)CCOC(=O)CSCc1ccc(F)cc1 744300534 ZNSRQXRMHAZJIR-UHFFFAOYSA-N 268.353 3.568 30 20 CHED COCCOCc1cccc(-c2ccc(C)c(C#N)c2)c1 592985895 IJSUPOCSWINJGK-UHFFFAOYSA-N 281.355 3.697 30 20 CHED CSc1ccc(Cl)c(NC(=O)NCCCCC#N)c1 596978001 RMBLZTROGPNEIM-UHFFFAOYSA-N 297.811 3.877 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)n1 741764292 YZVKFWGADBGOMA-KWQFWETISA-N 290.754 3.601 30 20 CHED C[C@@H](CC#N)NCc1ccc(-c2cccs2)cc1 594710921 JUQTVTMUWUDLOA-LBPRGKRZSA-N 256.374 3.807 30 20 CHED C=CCCSCCN[C@@H]1CCCc2cc(C#N)ccc21 595059891 RBPDABURSWEGBH-QGZVFWFLSA-N 286.444 3.835 30 20 CHED CCCCCCCCNC(=N)NC[C@H]1CCCSC1 849077305 AOMOONRNNWWMAN-CQSZACIVSA-N 285.501 3.604 30 20 CHED CC(C)O[C@H](CN1CCC[C@H](CC#N)C1)c1ccccc1 595622818 DOSMCFAMIOCMTB-SJLPKXTDSA-N 286.419 3.778 30 20 CHED CC[C@H](C)Oc1cccc(NC[C@@H](O)CC(C)(C)C#N)c1 598726243 QOCBSFQTGGSORL-ZFWWWQNUSA-N 290.407 3.577 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](SCC)C(C)C)C1 597998403 NMAYLOOAATVLQN-KBPBESRZSA-N 269.454 3.579 30 20 CHED N#Cc1csc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c1 748439480 UZACTZSTXGTBMJ-LFYBBSHMSA-N 286.743 3.766 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1SC 843723314 BFGALUHKLPVBHZ-UHFFFAOYSA-N 253.342 3.842 30 20 CHED COc1cc(Cl)c(F)c(C(=O)O[C@@H](C#N)C(C)(C)C)c1 842334320 VGEYEHKZZUOTSN-NSHDSACASA-N 299.729 3.583 30 20 CHED CON=Cc1cc(Cl)ccc1OC1CCCC1 743435416 GPHASBPFQZWJGQ-UHFFFAOYSA-N 253.729 3.642 30 20 CHED CC(C)Oc1ccc(NC(=O)NC2(C)CC=CC2)cc1C#N 594084047 MRCRFIPUFLRXGB-UHFFFAOYSA-N 299.374 3.576 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](C3CCC3)C2)cc1 840977303 HCAJPKLZRRUTSF-WMLDXEAASA-N 284.403 3.599 30 20 CHED CCc1ccc(C(C)=NNc2nc(C)cc(C)n2)s1 744516335 JZEAFOTUSVMZGU-UHFFFAOYSA-N 274.393 3.553 30 20 CHED COCCON=C(C)c1cccc(OCc2ccccc2)c1 748792016 UPCQAGWPYBTEKP-UHFFFAOYSA-N 299.370 3.653 30 20 CHED N#CC1(CC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)CCCCC1 597787926 QXFNOFUJRHTBJN-JYJNAYRXSA-N 286.419 3.569 30 20 CHED CCC(CC)(C/N=C/c1cc(OC)ccc1O)SC 743043905 BWOCTTGGEYJWCP-MHWRWJLKSA-N 281.421 3.742 30 20 CHED Cc1ccc(N2CCN(CCCCC#N)[C@H](C)C2)cc1C 747967124 DIHXQWTVUTUJPY-QGZVFWFLSA-N 285.435 3.508 30 20 CHED COc1cccc(/C=N/Cc2c(C)cc(C)cc2C)c1O 745624085 DYUHZZYOOQBPGK-VXLYETTFSA-N 283.371 3.945 30 20 CHED Cc1occc1-c1noc(CC2(C#N)CCCCC2)n1 596598533 JWJDVFQBGDPDDU-UHFFFAOYSA-N 271.320 3.655 30 20 CHED Cc1ncc(C=NNc2ncc(Cl)cc2Cl)s1 917538077 HWVSTPXWYHURAV-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C(=NNc1ncnc2sccc12)c1coc2ccccc12 746563536 FKPZRICRXQKVCP-UHFFFAOYSA-N 294.339 3.884 30 20 CHED C[C@H](OC(=O)[C@H](C)Cc1ccc(C#N)cc1)c1ccco1 847671548 OJZJKKKFCZILPE-OLZOCXBDSA-N 283.327 3.634 30 20 CHED C/C(=C\C(=O)O[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 745484470 QEKSIKSBHUSJLM-ZKXNXJMVSA-N 283.249 3.564 30 20 CHED Cc1cc(SCC[C@@H]2COC(C)(C)O2)ccc1C#N 849925544 GNNRJQOKMFNYJN-CYBMUJFWSA-N 277.389 3.500 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](C)C(C)(C)C 685442336 FQGJYONTLDGBAS-CQSZACIVSA-N 279.424 3.832 30 20 CHED CCC#C[C@@H](C)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 680427804 OYXLJQTUDDHSJE-KGLIPLIRSA-N 297.402 3.752 30 20 CHED C#C[C@H](OC(=O)c1cnn(CCCC)c1C)c1ccccc1 842363848 CDAKSOQEQPBDQA-KRWDZBQOSA-N 296.370 3.523 30 20 CHED C[C@@H](C#N)CNN=C1CC[C@@H](c2cccc(Cl)c2)C1 841630949 BKNPIYZSFIOJRE-WCQYABFASA-N 275.783 3.713 30 20 CHED C=CCN(C(=O)c1ccc(N(C)CCCC)cc1)C(C)C 749118305 GTRJJXMISJAJKW-UHFFFAOYSA-N 288.435 3.960 30 20 CHED CCCCNN=Cc1ccc(OC)c(O[C@H](C)CC)c1 749446944 KUHJSUBEWLGMKD-CYBMUJFWSA-N 278.396 3.596 30 20 CHED CC(CC1CC1)=NNc1cc(CO)ccc1Br 841655927 ZUDXFDUITPXGLX-UHFFFAOYSA-N 297.196 3.529 30 20 CHED CCC(CC)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 759556939 VUVWMEOVGLRWFB-CYBMUJFWSA-N 283.375 3.874 30 20 CHED CC(C)(NCCCCC1(C#N)CCC1)c1nccs1 929984569 UJUMWFOZGJFHPL-UHFFFAOYSA-N 277.437 3.832 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1ccc(F)cc1Cl 756842621 WRXGPXDZFVNLKQ-UHFFFAOYSA-N 298.148 3.786 30 20 CHED Clc1nc2ccccc2cc1C=NO[C@@H]1CCCCO1 755825151 UTTYZZRGJMATOD-CQSZACIVSA-N 290.750 3.765 30 20 CHED C=CC[C@H](N[C@H](C)c1cccc2c1OCO2)c1ccncc1 925075536 PQKYMYLKIMMFLB-CJNGLKHVSA-N 296.370 3.778 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)cc1F 756256176 AZNGXXIASZAHIJ-ZZXKWVIFSA-N 299.276 3.741 30 20 CHED CCCCO[C@H]1CC(=NNc2ncc(Cl)cn2)C1(C)C 857221106 UURNIAFNWDMBSM-LBPRGKRZSA-N 296.802 3.513 30 20 CHED C[C@H]1CCC(=NNc2ncccc2[N+](=O)[O-])c2ccccc21 752735923 XUNZRYWHTZCIJU-NSHDSACASA-N 296.330 3.703 30 20 CHED C=C[C@H](OC(=O)C[C@H](C)n1nc(C)cc1C)c1ccccc1 851453148 NSQBVAGQDJDKEE-RDJZCZTQSA-N 298.386 3.922 30 20 CHED COc1cc(C=NOCc2ccccc2)c2c(c1)C[C@@H](C)O2 755633514 VOXUUEWYQGGFDF-CYBMUJFWSA-N 297.354 3.569 30 20 CHED CC(=NNc1ccc(C(F)(F)F)nn1)c1cccc(C)c1 754711350 OJZWZMSYFMYDTI-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H](CCC)C1)c1ccccc1 757058795 IWUCPRYHRNBCQC-WMZOPIPTSA-N 298.430 3.973 30 20 CHED CCn1cc(C(=O)/C=C/c2ccccc2C2CC2)cn1 751032183 NNTGMVMZZOEXDH-MDZDMXLPSA-N 266.344 3.677 30 20 CHED N#Cc1cc(F)ccc1CSCc1cc(C2CC2)no1 853765304 GGYHTEHFVLFGRJ-UHFFFAOYSA-N 288.347 3.996 30 20 CHED COc1ccc(CNN=Cc2cccc(Cl)c2F)cc1 759652460 HPTZMDIULDTDKT-UHFFFAOYSA-N 292.741 3.611 30 20 CHED N#CC1(CCCCN2C[C@@H](CO)Cc3ccccc32)CCC1 930537061 YCXZYGFCXNICAO-INIZCTEOSA-N 298.430 3.522 30 20 CHED C#C[C@H](CC)NC(=O)CCc1ccc(-c2ccccc2F)o1 754393782 JMANJZPAWRXHNP-CYBMUJFWSA-N 299.345 3.546 30 20 CHED C#Cc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)cc1 934930494 OQKYGURYFYZKKC-INIZCTEOSA-N 282.387 3.710 30 20 CHED C#CCCCCc1nc(-c2ccnc(O[C@H](C)CC)c2)no1 762330701 AEHSNFPGXFWBFU-CYBMUJFWSA-N 299.374 3.655 30 20 CHED C[C@@H]1CN(C(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 931837664 KTWSXDDZHHQAEZ-RISCZKNCSA-N 297.383 3.845 30 20 CHED C=C[C@H](C)OC(=O)/C=C\c1ccc(SC)s1 860682226 UCNHGSCYEUYLPT-PGBBXKAQSA-N 254.376 3.601 30 20 CHED Clc1ccc(Cl)c(NN=CC[C@H]2CCOC2)c1 765581501 QZIOMACUYWXWTL-VIFPVBQESA-N 273.163 3.818 30 20 CHED C#CCOc1ccccc1-c1noc(C23CCC(CC2)C3)n1 761994799 CZBPFWUXSQGYJF-UHFFFAOYSA-N 294.354 3.580 30 20 CHED C[C@H](CC1CCCC1)C(=O)Oc1ccc(C#N)cc1F 769739414 OMJMFWBQRBFFQH-LLVKDONJSA-N 275.323 3.819 30 20 CHED C=CCCCCNC(=S)N[C@H](C)c1cccs1 769759773 FMGLRUKPRZDAMB-LLVKDONJSA-N 268.451 3.630 30 20 CHED CC(=NOCC(F)(F)F)c1ccc2cc(O)ccc2c1 764847241 VYOVRMZGXRXUSF-UHFFFAOYSA-N 283.249 3.848 30 20 CHED CCCCCCCNC(=O)Cc1ccn(-c2ccccc2)n1 862358447 HYLIHNABVCMGBN-UHFFFAOYSA-N 299.418 3.501 30 20 CHED C#CCN(C(=O)c1cccc(Nc2ccccc2)c1)C1CC1 764449242 INARPAOSVGUJOX-UHFFFAOYSA-N 290.366 3.668 30 20 CHED C#CC[C@@H](NC(=O)N(CC)CCC1CC1)c1ccccc1 760997791 UEVFAHMMRRLUFS-QGZVFWFLSA-N 284.403 3.583 30 20 CHED CC(C)(C)C1CCC(=NNc2ccc(C(=O)O)cn2)CC1 763369724 JKXQMYAGKYNSAE-UHFFFAOYSA-N 289.379 3.784 30 20 CHED COc1ccnc(C(C)=NNc2cc(C)cc(C)c2)c1 863075127 WPTDPSVSCRLUOZ-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C#CCCN1CCC(Sc2ccc(Cl)cc2)CC1 760875005 KGSHZPKMDKHUCR-UHFFFAOYSA-N 279.836 3.920 30 20 CHED Cc1nc(C)c(C=NNc2c(C)cccc2F)s1 769827719 IDYCMNVWWXHPAR-UHFFFAOYSA-N 263.341 3.653 30 20 CHED CO[C@H](C)C(C)=NN=C(c1ccccc1)c1ccccc1 763117809 XJNOKYRBLGAPSQ-OAHLLOKOSA-N 280.371 3.935 30 20 CHED FC(F)(F)c1cccnc1C=NOCc1ccccc1 765572703 OKGFGZOSZAAUGB-UHFFFAOYSA-N 280.249 3.651 30 20 CHED N#Cc1ccc(COC(=O)[C@@H](c2ccccc2)C2CC2)s1 1118397918 KGQFYPFPBRRXLB-INIZCTEOSA-N 297.379 3.857 30 20 CHED C[C@@H]1CCCC[C@H]1N1CCC(=NOCC(F)(F)F)CC1 764836105 PTZWNTXCJPGNPQ-DGCLKSJQSA-N 292.345 3.596 30 20 CHED CC(C)(C)OC1CC(CC/N=C/c2cccc(O)c2O)C1 760991165 VQHYBECIYJQMNT-WOJGMQOQSA-N 291.391 3.501 30 20 CHED C[C@@H]1CCC[C@H](c2noc(COc3cccc(C#N)c3)n2)C1 761798372 ZILXGRJTTXJWMS-OCCSQVGLSA-N 297.358 3.814 30 20 CHED CC(C)CCC(=NNc1ccc(C#N)cn1)C1CC1 1119363612 QKKGNEVPZRNJTN-UHFFFAOYSA-N 256.353 3.567 30 20 CHED CCCCCCCc1nc(CC2CCOCC2)no1 761988595 DLAJVAOWANBVQX-UHFFFAOYSA-N 266.385 3.552 30 20 CHED C#CCCCCCC(=O)Nc1ncc(C(C)C)s1 779965974 BGRUBGZVHVBQTR-UHFFFAOYSA-N 264.394 3.789 30 20 CHED C=CCSc1ccccc1C(=O)N(OC)C1CCCC1 777185638 PPHSQAJDCVAMBS-UHFFFAOYSA-N 291.416 3.911 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCCOc2ccccc21 779891228 XCXSCXXZQBHCMJ-MRXNPFEDSA-N 285.387 3.600 30 20 CHED CCC(=NOC1CCOCC1)c1ccc(OC(F)F)cc1 774451460 RESFQHLUWQZYOF-UHFFFAOYSA-N 299.317 3.598 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](c2ccccc2OC)C1 878914988 NIZFIKZJBUNTEW-CQSZACIVSA-N 287.403 3.613 30 20 CHED CC(=O)[C@](C#N)(CCSCc1ccco1)c1ccccc1 871631157 IRFOIEZBZAFAIU-QGZVFWFLSA-N 299.395 3.953 30 20 CHED O=C(C#Cc1ccccc1)OCc1cc2ccccc2o1 772027742 CRQVOXDUNAIYDI-UHFFFAOYSA-N 276.291 3.528 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(F)nc1 777466821 GAZMAKJTMJKCLB-KXFIGUGUSA-N 259.255 3.564 30 20 CHED C=C(CC)COC(=O)C1(c2ccccc2C)CCOCC1 773500031 VBOZYSMFGPRCLS-UHFFFAOYSA-N 288.387 3.553 30 20 CHED C#CCCCCCC(=O)Nc1ccc(N2CCCC2)cc1 779736058 SUXWFFQAXNOZQF-UHFFFAOYSA-N 284.403 3.809 30 20 CHED CC(C)c1cnc(NC(=O)[C@@H](CC#N)c2ccccc2)s1 1126308870 OILACPYUVFXOJF-ZDUSSCGKSA-N 299.399 3.902 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1cccc(OC)c1 1120734181 UVFZXNDYBRIOBR-INIZCTEOSA-N 287.403 3.585 30 20 CHED C#CCCCCCC(=O)N1CCCc2c(C)cccc21 779940242 PBMPPSVBGCHVGZ-UHFFFAOYSA-N 269.388 3.858 30 20 CHED CC(C)(C#N)C(=O)OCc1cccc(Cl)c1Cl 773399775 BXWVEPBIBSHYQG-UHFFFAOYSA-N 272.131 3.586 30 20 CHED C#CCCCC(=O)N1C[C@@H](C(C)C)c2ccccc21 772917283 MPCDUYUFEQRTTA-HNNXBMFYSA-N 255.361 3.576 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1ccc(C=NOC)cc1 881790985 BRRQGLUMLHYKMV-CQSZACIVSA-N 290.407 3.756 30 20 CHED COc1cccc(CC(C)=NNc2ccc(Cl)cc2)n1 782892273 AKEHCJOOCCHJAA-UHFFFAOYSA-N 289.766 3.774 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1cc(F)c(C)cc1F 785762140 RCDVJRVZASZLCU-MRXNPFEDSA-N 296.313 3.601 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)Nc2cc(C#N)ccc2F)C1 888359902 RZJZRFODATYAAD-NWDGAFQWSA-N 289.354 3.740 30 20 CHED O=C1/C(=C\c2cnc(C3CCC3)s2)Cc2cc(O)ccc21 780189188 XDPXAPZQLLQNSQ-WQLSENKSSA-N 297.379 3.939 30 20 CHED CCCCC[C@@H](NC(=O)NCCCC#N)c1ccccc1 784452912 FQCWPWRRJHRRIF-MRXNPFEDSA-N 287.407 3.911 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccnc(Cl)c1 787025376 GGRPXYJDUAXLHN-MEDUHNTESA-N 297.789 3.945 30 20 CHED COc1cccc(O)c1/C=N\Cc1cccc2cc[nH]c12 786026918 FBTYJYRAMFNGIH-WQRHYEAKSA-N 280.327 3.501 30 20 CHED N#Cc1ccc(COC(=O)CCC(F)(F)F)c(Cl)c1 784229712 HNNIWYKAVRMHDF-UHFFFAOYSA-N 291.656 3.597 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H]1C[C@@H](C)C(=O)C(C)(C)C1 893129994 ODASCQRVEWIAEY-VXGBXAGGSA-N 266.381 3.526 30 20 CHED O=C1/C(=C\c2sccc2Cl)Oc2cc(O)ccc21 782322732 IQEPZOCVVJCMPA-IZZDOVSWSA-N 278.716 3.723 30 20 CHED Cc1cc(COC(=O)[C@@H](C)c2ccccc2F)ccc1C#N 783584229 SHTIYBGNTPNJBR-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED C=CCNN=C/C(C)=C/c1ccccc1C(F)(F)F 794999559 KBTNABQKPFKNGZ-FDBMWMNRSA-N 268.282 3.870 30 20 CHED CC[C@@H](C)n1nc(NC(=O)c2ccc(C)c(C#N)c2)cc1C 799363162 UTYQXBXYBLKEFU-GFCCVEGCSA-N 296.374 3.595 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1ccc(C(C)(C)C)cc1)C2=O 794961652 ITVXCDYAQQKYNW-KAMYIIQDSA-N 294.398 3.930 30 20 CHED CC(C)(CO)CNN=C1CCC[C@@H]1c1ccc(Cl)cc1 799115547 ZDZSSNMHUVVVTD-CQSZACIVSA-N 294.826 3.572 30 20 CHED CSCC1CCN(CCCCC(C)(C)C#N)CC1 719302023 LLMHOUWPTYLKHW-UHFFFAOYSA-N 268.470 3.781 30 20 CHED CC(C)O[C@H](C=NO[C@@H]1CCCCO1)c1ccccc1 793034552 OSFSGNNPOAGUDR-HZPDHXFCSA-N 277.364 3.682 30 20 CHED Cc1nn(C)c(C)c1C=NNc1cc(Cl)cc(Cl)c1 790202860 ZYFFCCQSVMERKK-UHFFFAOYSA-N 297.189 3.790 30 20 CHED C#CCN(C)C(=O)CCCCc1ccc(Cl)c(Cl)c1 790970796 GCVUAIXOXZNLRL-UHFFFAOYSA-N 298.213 3.798 30 20 CHED CCc1ccsc1C(=O)Nc1ccc(CC#N)cc1 64708021 AOLRXKCAGYPXJQ-UHFFFAOYSA-N 270.357 3.629 30 20 CHED CSc1ccccc1[C@H](C)NCc1ccc(C#N)cn1 566417517 VVGRWPNSTKCTRF-LBPRGKRZSA-N 283.400 3.526 30 20 CHED CC(=NN=c1cc[nH]cc1)[C@H](C)c1ccc(Cl)cc1 794530144 JWMSBDRKOMDRDJ-NSHDSACASA-N 273.767 3.748 30 20 CHED C=CCC1(NCc2ccc(C#N)cc2F)CCCC1 594985838 ARGQNFUMYZUYIH-UHFFFAOYSA-N 258.340 3.676 30 20 CHED CCCCCCCN1[C@H]2CC[C@H]1CN(CC)CC2 751482478 SKRZUJYGLIRFDF-HOTGVXAUSA-N 252.446 3.515 30 20 CHED C#Cc1cccc(N(C)C(=O)C(CCC)CCC)c1 753070552 WLKZKPSAHBUWDI-UHFFFAOYSA-N 257.377 3.847 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(-c2cccs2)c1 1143064246 CPNLZUDGBXAKJI-LLVKDONJSA-N 270.357 3.903 30 20 CHED CC(C)CN(CCC#N)CCOc1ccc(Cl)cc1 755670774 SPKYZHCBRIYPHH-UHFFFAOYSA-N 280.799 3.590 30 20 CHED Cc1nnc(Sc2ccnc(C#N)c2)n1C1CCCCC1 1162048988 HLZJNWZPILVEGI-UHFFFAOYSA-N 299.403 3.510 30 20 CHED Cc1cc(NC[C@@H]2CCCc3ccccc32)ncc1C#N 1162551474 JUFRBPBNQQRSKE-HNNXBMFYSA-N 277.371 3.794 30 20 CHED O=[N+]([O-])c1ccccc1/C=C/C=NNCc1ccc(F)cc1 1319277972 NDXNSEFPYHVMQT-CIXSYLBFSA-N 299.305 3.523 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cccc2ccoc12 1236744061 XQUARLBVQAJBAL-UHFFFAOYSA-N 276.339 3.936 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H](C(C)C)CC1 1167424170 CVJARFBPRZMIQJ-MRXNPFEDSA-N 286.419 3.825 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(C)c(Cl)c1 1318977854 OWDBNLBZLJDSSL-LBPRGKRZSA-N 266.772 3.863 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCc1ccc(C#N)s1 1326838157 CYLRMFSNKNMGOH-QMMMGPOBSA-N 291.294 3.642 30 20 CHED CC(=NOC(C)(C)C)c1c(Cl)cccc1[N+](=O)[O-] 1323847944 UQSMZDNMHTYHAQ-UHFFFAOYSA-N 270.716 3.787 30 20 CHED C[C@@H](Nc1cc(F)cc(C#N)c1)C1CCSCC1 1658719203 QBVROEISVTYUKB-SNVBAGLBSA-N 264.369 3.641 30 20 CHED C=C1CN(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)C1 1334767707 DGXDSNWUKKYJBA-UHFFFAOYSA-N 285.347 3.529 30 20 CHED O=C(CC#Cc1ccccc1)OCc1nc(C2CC2)cs1 1254122435 MWUPHSNYWBFYSV-UHFFFAOYSA-N 297.379 3.506 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 1254404141 RZJBKZLWWVKIIY-GDBMZVCRSA-N 283.419 3.623 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 1184763093 OTDHTPMUTRQWDL-INIZCTEOSA-N 297.333 3.970 30 20 CHED COc1cccc(NC[C@@H](C)CCC#N)c1Br 1333001748 ZBXMFGSJWMGICR-JTQLQIEISA-N 297.196 3.809 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccnn2[C@@H](C)CC)c1 1337670587 UYZCPBRCUZSBRJ-AWEZNQCLSA-N 295.386 3.502 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(F)cc(OC)c2)C1 1261665399 KIOINJXTRYAGBW-LBPRGKRZSA-N 292.354 3.654 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cccc(C(C)(C)C)c1 1262813049 NQANDXRNPYLDCV-OAHLLOKOSA-N 272.392 3.748 30 20 CHED Cc1c(F)cccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1265620737 SLYALBUCPIWPIJ-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)[C@@H]1c1nccn1C 1347872951 YXZAVWKOHQNERD-HNNXBMFYSA-N 291.439 3.690 30 20 CHED C=C[C@@H](CC)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 1344529536 HJIMQNOZIZKXTD-QWHCGFSZSA-N 281.359 3.650 30 20 CHED C=C(C)CCC(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 1342510968 NOJQSPQWFIUBOH-CQSZACIVSA-N 294.354 3.724 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](CCC)c1ccccn1 1262654930 WNNUQQQOTQNRSY-JKSUJKDBSA-N 286.419 3.923 30 20 CHED CCCC(=CC(=O)[C@@H](C#N)c1nccn1CC)CCC 1347337429 IPFRVXHERAQTGY-CQSZACIVSA-N 273.380 3.606 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)nc2cc(F)ccc12 1344531741 CRJNEXFMTLPXNQ-ZDUSSCGKSA-N 286.350 3.767 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)c(C#N)c1 1351348860 NPLNSEOFDNTUBD-UHFFFAOYSA-N 295.729 3.644 30 20 CHED Cc1cccc2c(C(=O)N(C)c3ccc(C#N)cc3)coc12 1354119794 WODIQNTYGVFLJE-UHFFFAOYSA-N 290.322 3.890 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cccc(-n3cccc3)c2)C1 1436649829 RIFAXJPPMXVEFW-YOEHRIQHSA-N 294.354 3.716 30 20 CHED CC/C(=C\C(=O)N(C)[C@@H](C)CC#N)c1cccc(Cl)c1 1355124766 BWGOWSIUTXNDIW-OWRWYXLESA-N 290.794 3.894 30 20 CHED CC1(CCC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)CC1 1518927873 AGEYXLADCPKSBM-NSHDSACASA-N 296.292 3.857 30 20 CHED C[C@@H](OC(=O)C1C(C)(C)C1(C)C)c1ccc(C#N)cc1 1457190394 HUADOKOYYATWGW-LLVKDONJSA-N 271.360 3.845 30 20 CHED N#Cc1cc(Oc2ccc(-c3cscn3)cc2)ccn1 1458223289 CHILJQLKNKHJGP-UHFFFAOYSA-N 279.324 3.869 30 20 CHED C[C@H]1C[C@@H](CC(=O)NCC(C)(C)CC#N)CC(C)(C)C1 1460810323 PHPQIHVJNQDOPH-KBPBESRZSA-N 278.440 3.895 30 20 CHED COc1cc(NC(=O)C[C@@H](C)CC(C)C)c(F)cc1C#N 1533716640 AJWHENYLYBJQFJ-NSHDSACASA-N 292.354 3.717 30 20 CHED Cc1cc(SC[C@H]2CCCC[C@@H]2C(=O)O)ccc1C#N 1600303663 VNQXUZMIGJJQMG-HIFRSBDPSA-N 289.400 3.850 30 20 CHED CC[C@H]1CCN(Cc2ccc(Cl)cc2C#N)[C@H]1C 1473403164 RPUBWFFGTXJCEQ-RYUDHWBXSA-N 262.784 3.832 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1Cc2ccccc2[C@@H](C)C1 1625503288 WGQWTTUGPXFHIS-AWEZNQCLSA-N 290.366 3.626 30 20 CHED CC(C)(CC#N)CNC(=O)NC1CC(C)(C)CC(C)(C)C1 1633781063 FJVLUJOPBJXDIV-UHFFFAOYSA-N 293.455 3.830 30 20 CHED N#Cc1cccnc1N(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 1642120254 UHXLOEYVZAHCKI-KKUMJFAQSA-N 281.403 3.748 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)c1ccsc1 1654072642 ZBJBQWCIZXBKSX-UHFFFAOYSA-N 262.765 3.910 30 20 CHED CCc1cccc(COc2cccc(F)c2C#N)c1 1656389205 SGEYVGBENRACFZ-UHFFFAOYSA-N 255.292 3.839 30 20 CHED C[C@H](c1nccc2ccccc12)N1CCC[C@@H](CC#N)C1 1652813073 WZCYNFUFEOAILG-CABCVRRESA-N 279.387 3.921 30 20 CHED C=CCN(Cc1csc(C(=O)O)c1)c1ccccc1 1588831914 XWTLZFKACTUUBX-UHFFFAOYSA-N 273.357 3.639 30 20 CHED Cc1cc(C#N)cc(NCc2ncc(-c3ccccc3)[nH]2)c1 1658120117 XNUSJMZKUOEVSF-UHFFFAOYSA-N 288.354 3.869 30 20 CHED CC(C)(C)C[C@@H]1CCN(CCc2ccc(C#N)cc2)C1 1653915998 XLBHLCGMPGQSOA-KRWDZBQOSA-N 270.420 3.859 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1sccc1C#N 1678969353 YHTNHBOQEBDLTC-DGCLKSJQSA-N 291.420 3.958 30 20 CHED C=CCC[C@@H](Nc1ncc(C(=O)O)s1)c1ccccc1 1776167862 KTDUNLRMXRESPB-GFCCVEGCSA-N 288.372 3.961 30 20 CHED CC(C)CCC(=NNc1ccc(C(=O)O)cc1)C1CC1 1776012877 UFSFCQMTLCUPHV-UHFFFAOYSA-N 274.364 3.999 30 20 CHED C=CCCCCCN1CC2(CC2)c2ccccc2[C@H]1C(=O)O 1776173101 XZNYLRQCQMVUOP-KRWDZBQOSA-N 299.414 3.906 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@H]2Cc2ccccc2)cc1 1776014517 UFCHFHHFYXSHRB-HNNXBMFYSA-N 294.354 3.805 30 20 CHED Clc1ccccc1C=NNc1cnc2ccccc2n1 5771438 BCLAHJQULOTPBC-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C=CCN(C)C(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C 161836356 KCYACUIZJOKPGN-UHFFFAOYSA-N 297.402 3.562 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1Cl)CC1CC1 162889949 HFTJZVHHVDDYOO-UHFFFAOYSA-N 262.784 3.832 30 20 CHED CC[C@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 151389175 NRGRSIOPLGUACQ-RDJZCZTQSA-N 299.418 3.863 30 20 CHED N#CCC[C@H](NC(=O)c1ccsc1)c1ccccc1 153537069 DBKLRXOEXYUAID-AWEZNQCLSA-N 270.357 3.523 30 20 CHED CCSc1ccccc1OC[C@H](O)c1ccc(C#N)cc1 155285094 CILVCWGNOSUPNM-HNNXBMFYSA-N 299.395 3.783 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)Nc2ccccc2)n1 155770880 XUUVJULEKOEJEQ-LBPRGKRZSA-N 285.372 3.512 30 20 CHED C=CCCOC(=O)[C@@H](OC(C)(C)C)c1ccccc1 156411716 RJGQXWAQSRYPQV-AWEZNQCLSA-N 262.349 3.662 30 20 CHED C=C(C)CNC(=O)Nc1ccc(OC(C)(C)C)cc1 157483862 YXVHXUFLTJGKAI-UHFFFAOYSA-N 262.353 3.562 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1C(C)C)C(C)(C)C 854478636 BGUHRAXNZCSTFW-OAHLLOKOSA-N 257.377 3.588 30 20 CHED C[C@@H](c1ccccc1F)N(C)c1nccc(C#N)c1Cl 235515504 ZETBCYYOFBFGFN-JTQLQIEISA-N 289.741 3.943 30 20 CHED C[C@@H]1CN(c2nc3ccccc3cc2C#N)CC[C@H]1C 252727263 CJBXRMWVHFKGRZ-CHWSQXEVSA-N 265.360 3.589 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc(F)c(Cl)c1 149145630 NTXFLFJGOKVBSE-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1ccc(F)cc1CN1C2CCCC1CCC2 610728870 UAYGOBWWAIWDPM-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 532744780 GWMYGAKXJJCDQR-UHFFFAOYSA-N 292.382 3.755 30 20 CHED CC(C)(C)C1CC(C(=O)N[C@@H](C#N)C2CCCCC2)C1 332505827 XRDQURZRKUEYQB-NRXISQOPSA-N 276.424 3.647 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(F)c1 361837440 LQBICWXUBHXVTP-LLVKDONJSA-N 272.298 3.687 30 20 CHED N#Cc1ccc(OC[C@@H]2CCCC2(F)F)cc1F 381557968 VXYDGYNLVVGUKQ-JTQLQIEISA-N 255.239 3.512 30 20 CHED CC(C)(C)C(C)(C)CNCc1ccc(C#N)cc1F 381873802 NVXBCVULXHNXTP-UHFFFAOYSA-N 262.372 3.859 30 20 CHED CC(C)c1ocnc1C(=O)Nc1ccc(C#N)c(Cl)c1 731901744 JMIIFUKIYGKKOK-UHFFFAOYSA-N 289.722 3.575 30 20 CHED C=CCCN(CCCCF)OCc1ccccc1 796034620 QMJMLLITBMXFEM-UHFFFAOYSA-N 251.345 3.746 30 20 CHED COc1cccc(NC(=S)NN=C2CCC(C)CC2)c1 58655262 BNEOZJHPQLHBAO-UHFFFAOYSA-N 291.420 3.548 30 20 CHED CC(=O)c1ccccc1NCCCOc1ccc(C#N)cc1 59799341 AONPYAGEHGHUKL-UHFFFAOYSA-N 294.354 3.642 30 20 CHED C[C@H](NC(=O)Nc1cccc(C#N)c1)C1CCCCC1 465997574 WXSPRJYAGUVOHI-LBPRGKRZSA-N 271.364 3.649 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC[C@H]1CCCCO1 110205917 GIPJSNLITJOLMN-QGZVFWFLSA-N 287.403 3.551 30 20 CHED N#Cc1ccc(OCc2ncc(Cl)cc2Cl)c(F)c1 179691745 LYVOVEVJYVVQIB-UHFFFAOYSA-N 297.116 3.978 30 20 CHED CC(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 102737376 RWCRWSCZKBELNG-UHFFFAOYSA-N 294.354 3.732 30 20 CHED C=C(C)CS[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 177864213 SHSJZEVHHGLHMV-ZIAGYGMSSA-N 277.433 3.604 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@H](C)C2(C)CC2)c1 175963508 WKORBPCMYCQLEH-CYBMUJFWSA-N 288.391 3.904 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H](C)C(C)C 171928595 MRPCURDIEUHDFD-CYBMUJFWSA-N 263.356 3.632 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CC=CCC2)c1 302120333 UBWOQOGMVBMMQI-CYBMUJFWSA-N 254.333 3.529 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCc1cccs1 171661376 LOTZIUPDJMICKB-UHFFFAOYSA-N 278.421 3.659 30 20 CHED CN(Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1C#N 302024849 HIKUHAIVHROBCD-UHFFFAOYSA-N 294.251 3.751 30 20 CHED CC(C)c1ccc(OCCNc2cccc(C#N)n2)cc1 301253238 CCBBEMOYJVPMAQ-UHFFFAOYSA-N 281.359 3.568 30 20 CHED COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1F 174429289 KPCSWRJHPSDFEZ-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc(O)c1 181090116 LTMBRSMERLEGBE-ZIAGYGMSSA-N 290.407 3.839 30 20 CHED Cc1cc(NCc2cccc(C(F)(F)F)c2)cc(C#N)n1 308276175 GTDKNMNMNNLJPU-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC1(C)Cc2cccc(OCc3cccc(C#N)c3)c2O1 20000384 NGSIKIUQYQUTKD-UHFFFAOYSA-N 279.339 3.851 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 173303135 SPCRESZVAUPERZ-SUMWQHHRSA-N 291.354 3.783 30 20 CHED C=C(C)CN(CC)CCOc1ccccc1C(F)(F)F 215953008 GGXSJJCFFVEVJA-UHFFFAOYSA-N 287.325 3.982 30 20 CHED CC[C@H](Nc1snc(Cl)c1C#N)c1nc(C)cs1 301215839 XVGADSVNRMAAKW-QMMMGPOBSA-N 298.824 3.996 30 20 CHED C=CCN(CCOC(C)(C)C)Cc1cccs1 67715786 OSTFEMTTYBJKBX-UHFFFAOYSA-N 253.411 3.551 30 20 CHED C[C@@H](NC(=O)c1sccc1C#N)c1ccc(Cl)cc1 128002998 CPXQZVPIJAYMBJ-SECBINFHSA-N 290.775 3.764 30 20 CHED C=CCn1c(SC[C@@H](C)CC)nnc1-c1ccccn1 124845964 UUHCUSXBPBRAJL-LBPRGKRZSA-N 288.420 3.664 30 20 CHED Cc1cnc(C(C)(C)N[C@@H](C)c2cccc(C#N)c2)s1 182451270 NLTASBZMJREMEB-LBPRGKRZSA-N 285.416 3.909 30 20 CHED C=C(C)[C@@H](NCC1=CCCOC1)c1ccc(F)c(F)c1 187373333 NYVHZSAMXLRWMN-MRXNPFEDSA-N 279.330 3.518 30 20 CHED N#Cc1ccc(N[C@H](c2ccccc2)c2ccccn2)cn1 301505334 COFFYFCUVVVLRE-GOSISDBHSA-N 286.338 3.550 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)c(F)c1 120970190 HWQTWAWPBJCRQA-UHFFFAOYSA-N 251.276 3.672 30 20 CHED CC[C@H](C#N)Nc1cccc2c1CN(CCC(C)C)C2 122231501 MVMNQQRHHPQRGM-OAHLLOKOSA-N 271.408 3.762 30 20 CHED C=CCCCN1CCCCC[C@H]1C[C@H](O)c1ccco1 121873009 GGJWMARDBJCZED-HOTGVXAUSA-N 277.408 3.914 30 20 CHED Cc1cc(Oc2cc(Cl)ccc2C#N)ncc1[N+](=O)[O-] 474787335 HWUAZFPWCJMGJS-UHFFFAOYSA-N 289.678 3.616 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1O 34953958 XJLCJFXGDUTBMG-UITAMQMPSA-N 268.312 3.605 30 20 CHED CCC[C@H](C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 75271997 IUTQZSWMSKPUGU-STQMWFEESA-N 258.365 3.562 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1OC(F)F 182649445 NTXFMJFROIHZOA-NSHDSACASA-N 283.318 3.763 30 20 CHED N#Cc1ccccc1CSCCCOCC(F)(F)F 123166068 AKVYCQPQRWTXLL-UHFFFAOYSA-N 289.322 3.760 30 20 CHED C=CCC[C@@H](NC(=O)CC[C@H](C)OC)c1ccccc1 181763509 LANFWZTYEDTPLL-GOEBONIOSA-N 275.392 3.625 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NCCCSCC#N 184706396 AJPNQZARPZKMOT-KGLIPLIRSA-N 254.443 3.582 30 20 CHED CCCn1c(NCc2cc(C#N)cs2)nc2ccccc21 181479268 OUDJQPONMWCHDN-UHFFFAOYSA-N 296.399 3.992 30 20 CHED C=CCSCCN[C@@H](Cc1cccc(OC)c1)C1CC1 180455936 OXXPIXPGDMLFEV-KRWDZBQOSA-N 291.460 3.525 30 20 CHED N#Cc1cc(NC(=O)c2sccc2C2CC2)ccc1F 76880876 NGNSZMSRKAYXCN-UHFFFAOYSA-N 286.331 3.889 30 20 CHED C=C(C)CN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 180444068 ZXXHFHLYYVOEJY-NSHDSACASA-N 263.406 3.521 30 20 CHED N#Cc1ccc(CSCCOCC2CCC2)c(F)c1 419616974 AMVAWWBCIIPSLY-UHFFFAOYSA-N 279.380 3.747 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Cl)cc1C 410142545 YDUYORMUSHHDRA-GFCCVEGCSA-N 251.757 3.733 30 20 CHED CC(C)(C#N)COC(=O)c1cc2ccccc2s1 180095822 AIHPJUXBOMNZOG-UHFFFAOYSA-N 259.330 3.608 30 20 CHED C=CCN(Cc1cccs1)Cc1c(C)nc2ccccn12 506011724 FWLTZDUYLGHWSY-UHFFFAOYSA-N 297.427 3.892 30 20 CHED CC#CCCCC(=O)Oc1ccc(OCC2CC2)cc1 185543543 CAXFDSUZPDLASR-UHFFFAOYSA-N 272.344 3.574 30 20 CHED CC(C)CN(CCc1ccccc1)C(=O)C1(C#N)CCCC1 500519940 CARXRWUFJKCFTI-UHFFFAOYSA-N 298.430 3.798 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)CCC(C)(C)C 410831729 ALIMPKNHCWZPDH-CHWSQXEVSA-N 252.402 3.599 30 20 CHED C#CCCCCC(=O)N(C)Cc1ccc(Cl)c(F)c1 120066588 QNVHUPDKHZNCMZ-UHFFFAOYSA-N 281.758 3.631 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCc1ccc2ccccc2c1 188121851 WZUCXVZYMAUSFT-IBGZPJMESA-N 297.398 3.685 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H]1C=CCCC1 189027293 GMJBMZGKMKPQEO-KBPBESRZSA-N 284.359 3.662 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2ccccc2C)cc1 213700391 LIECEZWXJHJVJU-XFXZXTDPSA-N 279.339 3.850 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@]1(C)C(C)C 185731840 MNXDNTBQTKMBFA-HKUYNNGSSA-N 296.414 3.755 30 20 CHED Cc1cc(COc2cccc(F)c2F)ccc1C#N 447285853 GXYLQEUVTIQADE-UHFFFAOYSA-N 259.255 3.724 30 20 CHED N#CC1(CN2CCCCC[C@H]2c2ccccc2)CC1 501536944 AIKYVXYBWUROPS-INIZCTEOSA-N 254.377 3.907 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1coc2ccc(CC)cc12 410833972 IWCKLVDKCXMVLN-CYBMUJFWSA-N 284.359 3.759 30 20 CHED CCC(CC)CN(CC)Cc1ccc(F)cc1C#N 492168094 LVCXLCXDQPMYHG-UHFFFAOYSA-N 262.372 3.955 30 20 CHED COc1cc(C#N)ccc1CNc1cc(F)c(F)cc1F 180400249 FHMMQXNMLPWEFB-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CCc1cc(C(=O)[C@@H](C#N)c2ccccn2)sc1C 46706128 AJFVHDDHWYDDNI-LBPRGKRZSA-N 270.357 3.504 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)CCCc1cccs1 45243889 NFUUBEUEBCUWNY-UHFFFAOYSA-N 298.411 3.601 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccsc1 181130861 GHGGBHYGBSOYGH-NSHDSACASA-N 258.346 3.651 30 20 CHED C[C@H]1CCCC[C@@H]1NCc1ccc(N(C)CCC#N)cc1 72659598 ALJDFNYGZWAEJH-YJBOKZPZSA-N 285.435 3.705 30 20 CHED C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NCC(C)(C)C#N 502184203 DUQAXHNUTRDOIA-XJKSGUPXSA-N 299.418 3.549 30 20 CHED C=CC[C@@H](C)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 180904356 HBBILPBQYACVCG-KGLIPLIRSA-N 268.404 3.888 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@@](C)(C#N)CSC 415697855 XEXACYLZNJPMHX-ZBFHGGJFSA-N 296.480 3.744 30 20 CHED Cc1csc(N=C(O)[C@H]2CCC(=O)[C@@H](C)C2)c1C#N 329306820 BHIMLXYXRYAYGI-WPRPVWTQSA-N 276.361 3.522 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2c[nH]c3ccccc23)c1 221725132 DONNOJYQQAEQEM-HJWRWDBZSA-N 272.307 3.936 30 20 CHED CC(O)=Nc1ccc(C/N=C(/O)[C@H]2CC23CCCC3)cn1 329874214 FMSMCXDFCJDJFO-CYBMUJFWSA-N 287.363 3.726 30 20 CHED Cc1ccc(CNCc2ccc(C#N)o2)c(OCC2CC2)c1 88745622 WCWBSAMHKHLMFV-UHFFFAOYSA-N 296.370 3.538 30 20 CHED C=CC1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 133247881 HXQNAPIRDPOZHJ-UHFFFAOYSA-N 280.371 3.581 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(NC(=O)C(C)C)c1 190318204 CJSNZGGMDSAXDT-KRWDZBQOSA-N 288.391 3.822 30 20 CHED C=CCN(CCOC)C(=O)Nc1ccccc1C(C)(C)C 191911005 QNAIIBBCBHMWGH-UHFFFAOYSA-N 290.407 3.650 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OC(F)F 424328732 OGXDWIIEYJWLEO-GRYCIOLGSA-N 280.318 3.631 30 20 CHED CSc1cccc(NCc2ccc(C#N)s2)c1 135683333 DCVBBBFFZKGUSK-UHFFFAOYSA-N 260.387 3.954 30 20 CHED CN(C(=O)c1cc2cc(F)ccc2s1)C1(C#N)CCC1 194512680 PMGGZNNDWZIQDI-UHFFFAOYSA-N 288.347 3.559 30 20 CHED COc1cc(CNc2snc(Cl)c2C#N)ccc1C 49321888 RWJRGSSPBTWCHI-UHFFFAOYSA-N 293.779 3.597 30 20 CHED C=C(C)CN[C@H](C)c1ccc(Br)cc1 49855306 QYWFFLJIPXHRHA-SNVBAGLBSA-N 254.171 3.676 30 20 CHED C=CCNC(=O)Nc1ccc2nc(C(C)C)sc2c1 49358797 OWCJUVUROZPODP-UHFFFAOYSA-N 275.377 3.727 30 20 CHED COc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C(C)C)c(F)c1 424330014 PZHAEWMPSIOGSL-OGHNNQOOSA-N 290.382 3.813 30 20 CHED Cc1c(NCc2ccc(C#N)c(F)c2)cnn1C1CCCC1 516042991 JZCNQLPZIFJTRQ-UHFFFAOYSA-N 298.365 3.930 30 20 CHED C=CCCCCCN(C)C(=O)N(C)CC(C)(C)C 510275748 WHFZUWKBOXHZES-UHFFFAOYSA-N 254.418 3.763 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)[C@@H]2CC[C@H](C)O2)[nH]1 330208085 ATPDCQFIGXXFRT-FZMZJTMJSA-N 285.347 3.541 30 20 CHED Cc1oc(C(C)C)cc1/C(O)=N/Cc1ncoc1C 330611649 WCPGDHRDSWFSSC-UHFFFAOYSA-N 262.309 3.513 30 20 CHED C[C@@H]1SCC[C@H]1Nc1ccc(C#N)cc1Br 235379373 GBZVWBRLJJOQKL-GZMMTYOYSA-N 297.221 3.627 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1(C#N)CCCCC1 335135630 WRZRTRZRFXDNSP-AWEZNQCLSA-N 295.386 3.552 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1ccc(Cl)s1 614800178 LNDAWVAEGAWQOW-SECBINFHSA-N 277.780 3.519 30 20 CHED C=CCOCCN1CCC[C@@H]1c1nc2ccccc2s1 293546602 QTYCIONBADCSMT-CQSZACIVSA-N 288.416 3.636 30 20 CHED CCC(CC)N(C(=O)CCc1ccc(C#N)cc1)C1CC1 517452461 XILNSHMGKQRWDY-UHFFFAOYSA-N 284.403 3.670 30 20 CHED CCc1nc2cc(N=C(O)N3CC[C@@H]4CCC[C@@H]43)ccc2o1 330256892 QKIVEVSNWICQBI-FZMZJTMJSA-N 299.374 3.810 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(F)c1C 335881324 WYDOOERGJXMBQX-LBPRGKRZSA-N 262.328 3.707 30 20 CHED CC[C@@H](C)/N=C(/O)Nc1ncc(C(C)(C)C)s1 331249508 ODKMNFSOJNLOKI-MRVPVSSYSA-N 255.387 3.565 30 20 CHED CC(=O)Nc1ccc(F)c(/C(O)=N/C[C@@H]2CC[C@H](C)C2)c1 331078927 NCTPOFFAEXVGDQ-CMPLNLGQSA-N 292.354 3.525 30 20 CHED C=CCCOCC(=O)N[C@@H](C)c1cccc2ccccc12 141339480 YVNPDAVJJGNHQY-AWEZNQCLSA-N 283.371 3.610 30 20 CHED C=CCCC(=O)N(CC)c1cccc(Br)c1 338608214 XXTOUQOKQCEKAE-UHFFFAOYSA-N 282.181 3.768 30 20 CHED N#Cc1cccc(/C=C/c2nc3cc(C(=O)O)ccc3o2)c1 439272146 KKXNNQNDPVKHGB-QPJJXVBHSA-N 290.278 3.568 30 20 CHED N#CCCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 237953777 SNXYCGFQSSRQPO-UHFFFAOYSA-N 299.330 3.638 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 517350010 XCNBZKNYZHLOOS-AEFFLSMTSA-N 289.419 3.526 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C 335584224 SNAYMTUTMFBBLH-PHIMTYICSA-N 291.782 3.526 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCOC3(CCCC3)C1)CC2 336004747 VSLZHNXZSHQZCK-WMZOPIPTSA-N 296.414 3.627 30 20 CHED CC(C)(C#N)CN[C@@H]1CCc2c(Br)cccc21 232529023 CUSWDUKHMONQTJ-CYBMUJFWSA-N 293.208 3.576 30 20 CHED Cc1ccc(/C(O)=N/[C@@H]2CCO[C@H](CC(C)C)C2)c(O)c1 331235450 LKHAFDDVNBQAPP-ZIAGYGMSSA-N 291.391 3.599 30 20 CHED CSc1ccc(C)c(C(=O)N(C)c2ccc(C#N)cc2)c1 336209600 KXLCCYSTCBNDII-UHFFFAOYSA-N 296.395 3.865 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)[C@@H](C)CCC 436309674 PANSQEPTBQONOX-FZKCQIBNSA-N 253.430 3.772 30 20 CHED C=CCC[C@@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 435392123 AAGVQQDVOARHMJ-CQSZACIVSA-N 279.330 3.855 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cccc3ccccc23)C1 349799132 GUNZQPQAODQZDV-XJKSGUPXSA-N 250.345 3.622 30 20 CHED C=CCCCC(=O)Nc1cc(C)nn1[C@H]1C[C@H]2CC[C@H]1C2 342087327 BEWQSPKGMQTQEX-KKUMJFAQSA-N 287.407 3.847 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n1 343047456 XISDPHIXVUVFEL-HUUCEWRRSA-N 283.762 3.883 30 20 CHED C=CCCO[C@@H](C)c1nc(N(CC)c2ccccc2)no1 528221002 DVAPZMUVWJTLRX-ZDUSSCGKSA-N 287.363 3.881 30 20 CHED N#Cc1ccnc(NC[C@H](c2ccccc2)C2CC2)c1 431495928 RKCDBJTWUMNAPD-MRXNPFEDSA-N 263.344 3.559 30 20 CHED CC(C)(CCC#N)CNC[C@H]1SCCc2ccccc21 344776135 OTTJNHZJVIXUPG-MRXNPFEDSA-N 288.460 3.937 30 20 CHED N#C[C@H](Sc1nnc(CCCc2ccccc2)o1)C1CC1 601077866 AMRCGAPMDDJYIQ-AWEZNQCLSA-N 299.399 3.639 30 20 CHED Cc1cc2occ(CC(=O)N[C@@H](C#N)CC(C)C)c2cc1C 608821915 WQOUWSYADADJQT-OAHLLOKOSA-N 298.386 3.647 30 20 CHED CCC(C#N)(CC)C(=O)N1CCc2ccc(Cl)cc2C1 528922825 BOSZBRISMACQMH-UHFFFAOYSA-N 290.794 3.555 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccsc2)CCCC1(C)C 347473727 UKYBBZNCNSNTMM-ZDUSSCGKSA-N 263.406 3.955 30 20 CHED CCc1nnc(-c2cccc(NC[C@H](C)CCC#N)c2)o1 602496874 GAECWTYPAQNDRF-GFCCVEGCSA-N 284.363 3.651 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCC[C@H]1C(C)(C)C 602692457 ICWCKJMNFRZVMK-BZUAXINKSA-N 292.467 3.890 30 20 CHED CCS[C@@H]1CC[C@H](N(C)C[C@@H](C)CCC#N)C1 602485093 PYBKSFFHKSMSRJ-MELADBBJSA-N 254.443 3.532 30 20 CHED CC(C)(CCC#N)CNc1nc2c(cc1C#N)CCCC2 340923077 BSWHOMNRSWRVEQ-UHFFFAOYSA-N 282.391 3.574 30 20 CHED Cc1csc(NC(=O)N2CCC(F)(F)C[C@H]2C)c1C#N 529096652 FKDXDCQWPCSZRX-SECBINFHSA-N 299.346 3.580 30 20 CHED C(=NOCC1CCC1)c1cccc(OCc2ccncc2)c1 255560395 CIMJXFRKTRREIP-UHFFFAOYSA-N 296.370 3.811 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc2c(c1)CCC2 342610860 AJFGGMLBGWLAJC-UHFFFAOYSA-N 287.403 3.877 30 20 CHED C[C@H](C#N)C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 609920165 OZQVWPQZBMHLRX-CZUORRHYSA-N 284.403 3.807 30 20 CHED CC[C@](C)(NCc1cccc(C#N)n1)c1ccc(F)cc1 602729132 QQWLSBKQMDCHRJ-KRWDZBQOSA-N 283.350 3.507 30 20 CHED CCCN(C)c1ccccc1NC[C@@H](C)CCC#N 602729351 IMRPDCAQBNVQCX-AWEZNQCLSA-N 259.397 3.885 30 20 CHED O=C1/C(=C/c2cccc(F)c2)Cc2ccc(F)cc21 255293219 SRZNFUVVOPIPKS-WUXMJOGZSA-N 256.251 3.787 30 20 CHED N#Cc1ccc(SCCOc2ccccc2)c(F)c1 525502795 VJBASGPUEKHPIH-UHFFFAOYSA-N 273.332 3.868 30 20 CHED N#Cc1c(Cl)cccc1N[C@H]1CCOC2(CCC2)C1 297529769 PCUKOSPOZLGDPE-NSHDSACASA-N 276.767 3.725 30 20 CHED CC(=O)c1cc(C(=O)Nc2ccccc2CC#N)ccc1C 344335647 KQTPUGBXGFPGKL-UHFFFAOYSA-N 292.338 3.516 30 20 CHED CCc1ccc([C@H](C)C(=O)Nc2sccc2C#N)cc1 609018691 LOTARSSCCXXCEX-NSHDSACASA-N 284.384 3.924 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CCCC1 449507054 DKWPIVODAYHAJG-UHFFFAOYSA-N 298.386 3.646 30 20 CHED Cc1ccnc(NCc2ccccc2OCC2CC2)c1C#N 343484181 YDDVWLCQHVSFRY-UHFFFAOYSA-N 293.370 3.663 30 20 CHED C[C@@H](c1ccc(Cl)cc1Cl)n1cc(CCC#N)nn1 603212659 CTMQJQZKYMBMPD-VIFPVBQESA-N 295.173 3.650 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CC[C@@H](C)C[C@@H](C)C1 351113862 IQZITOIRHKYZQQ-ZIAGYGMSSA-N 288.439 3.604 30 20 CHED CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccncc1 353271455 YMWDHWPMXRBPOO-ROUUACIJSA-N 277.371 3.681 30 20 CHED COc1cccc([C@@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)c1 357330859 PABRSLAGRVGXRK-LLVKDONJSA-N 297.314 3.648 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C 267225181 VDHBPGMWXWYYHF-INIZCTEOSA-N 297.402 3.593 30 20 CHED N#Cc1ccc(CCc2nc([C@H]3CCCCS3)no2)cc1 357575022 YIOMAPIRMXFUCM-CQSZACIVSA-N 299.399 3.685 30 20 CHED Cc1ccc(CC(C)(C)NCC2(CC#N)CC2)cc1 602845770 LQXPYTIQDMGZEQ-UHFFFAOYSA-N 256.393 3.600 30 20 CHED Cc1ccnc(N(Cc2c(F)cccc2F)C2CC2)c1C#N 357911973 WOJKYXRGZRIKKI-UHFFFAOYSA-N 299.324 3.709 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 355139158 WACPIAOZSFKMMR-LZWOXQAQSA-N 272.392 3.625 30 20 CHED COc1cccc2c(CN(C)[C@H](C)CC#N)cccc12 449023245 OWRAGVQJWPXNON-CYBMUJFWSA-N 268.360 3.582 30 20 CHED CC[C@]1(C)CCCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 443507644 IJAHUIYLYSWFFE-CQSZACIVSA-N 297.324 3.989 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)s1)C1CCCCC1 610522534 RTTAWZWECBBQHU-ZDUSSCGKSA-N 276.405 3.708 30 20 CHED C=CCOc1cccnc1-c1nc([C@@H]2CCCC[C@@H]2C)no1 356581953 HLTFXINSPRZTAQ-QWHCGFSZSA-N 299.374 3.990 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(F)c1F 618742556 ZIWSEMKTTNWDBZ-MRXNPFEDSA-N 284.309 3.614 30 20 CHED N#CCCCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 359986914 UBBMMLAUOVGAAW-CQSZACIVSA-N 276.767 3.697 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCc3ccc(F)cc32)CC1 530528291 QNOVUQBIMHNWPT-OAHLLOKOSA-N 273.351 3.676 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 537308586 SVUKXPIHDQDMTC-KGLIPLIRSA-N 286.419 3.967 30 20 CHED C[C@H](NC(=O)C[C@@H]1CCC[C@@H]1C)c1cccc(C#N)c1 613580117 IWMQZCRSBNELNA-YDHLFZDLSA-N 270.376 3.562 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 359248298 YSHBDDUSEVJFEV-DZGCQCFKSA-N 288.439 3.747 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 539926682 AXKAFIJKKOXVTJ-KOLCDFICSA-N 299.201 3.905 30 20 CHED Cc1ncc(Br)cc1N[C@H]1CCC[C@H](C#N)C1 449526662 XDBCHIMTHZJZFH-JQWIXIFHSA-N 294.196 3.647 30 20 CHED N#Cc1ccc(NCCSCc2ccccc2)cc1 619511447 GKZXFJRVZUSHSA-UHFFFAOYSA-N 268.385 3.904 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 618735279 JZXADUCKDDAWDR-QWQRMKEZSA-N 296.414 3.878 30 20 CHED CCCCN1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 538395302 JPRXQEIAHGICNH-QFBILLFUSA-N 299.462 3.863 30 20 CHED CCC[C@@H](C)N(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 263724769 WVNDUAWFAXJDCF-GFCCVEGCSA-N 290.411 3.767 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)c2cccs2)C1 617784011 LMMIKPWGXUWREK-QWHCGFSZSA-N 263.406 3.666 30 20 CHED CCC1(CC)CN(C(=O)[C@@]2(C#N)C[C@@H]2C)c2ccccc21 450204322 JFMHOGPQGKGJBO-SCLBCKFNSA-N 282.387 3.641 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 532334433 DHYIFJSUJYLMBW-IUODEOHRSA-N 273.376 3.788 30 20 CHED C=C[C@@H](C(=O)OC)N(C)Cc1ccccc1-c1ccccc1 619717276 SJPIFOGMCFSZDA-SFHVURJKSA-N 295.382 3.513 30 20 CHED CC(C)(C/N=C(/N)Nc1cc(F)ccc1F)C1=CCCC1 263070528 GPTYNFJWFKGYKN-UHFFFAOYSA-N 293.361 3.828 30 20 CHED C=CCCC(=O)Nc1cc(Cl)ccc1NC1CC1 266873850 UVOVCWTVNPWVQJ-UHFFFAOYSA-N 264.756 3.819 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CC2)C1 617784181 ONTMVOGBDJCAON-AWEZNQCLSA-N 287.378 3.672 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CC23CCCCC3)C1 531912189 SRTYJVAZKJSRPV-CKEIUWERSA-N 274.408 3.545 30 20 CHED CN1Cc2ccccc2[C@@H](Nc2c(Cl)cccc2C#N)C1 611133210 OTCWBPQZZKGYJU-INIZCTEOSA-N 297.789 3.810 30 20 CHED C=CCCC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 361481575 OMFWBBHABRYFOC-UHFFFAOYSA-N 274.320 3.588 30 20 CHED Cc1ccccc1[C@H](NC(=O)N(C)CC(C)(C)C#N)C1CC1 458372350 ATYGEBBGHOIQKC-MRXNPFEDSA-N 299.418 3.637 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 610138496 JYRYSDMMURHNJW-VBQJREDUSA-N 299.418 3.887 30 20 CHED Cc1ccc(CSc2nc3c(c(C)c2C#N)CCC3)nc1 610928195 FCAVGMJOVQALKN-UHFFFAOYSA-N 295.411 3.746 30 20 CHED N#CCC1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 611687788 PAHWZOVJXNRVFY-UHFFFAOYSA-N 299.349 3.606 30 20 CHED CC#CCCCC(=O)N(CC1CC1)c1ccc(OC)cc1 456180395 QAPMAAJCAHUERE-UHFFFAOYSA-N 285.387 3.632 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cc(C)cs1 455328809 QORXWVVUPKJLGO-UHFFFAOYSA-N 280.437 3.944 30 20 CHED Cc1ccc(CSc2ccc(C#N)cc2F)nc1 610928427 AQYMTOQGZMWJDE-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CC(C)n1ncc2cc(N[C@@H]3CC[C@H](C#N)C3)ccc21 619673767 MSLDACSRAOSWMG-GXTWGEPZSA-N 268.364 3.721 30 20 CHED C=Cc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619780611 YJYMJPYWEQTGGN-UHFFFAOYSA-N 296.757 3.785 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(OCCOC)cc1 453313297 WGIMPQWQWDTEGL-AWEZNQCLSA-N 277.408 3.575 30 20 CHED Cc1nc(C)c(C#N)c(SCCCc2ccsc2)n1 360954578 RRKCONAXVJMBAO-UHFFFAOYSA-N 289.429 3.752 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](c2cccc(C)c2)C1 276997046 YOKJQNWSABUQEK-FUHWJXTLSA-N 271.404 3.913 30 20 CHED CC[C@@H](O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 367770009 PXKQYOZURMDIJR-AUUYWEPGSA-N 294.398 3.647 30 20 CHED C=CCCC1(C(=O)Nc2ncc(Cl)cc2C)CC1 362233000 CTPFCRIHLSLPHY-UHFFFAOYSA-N 264.756 3.728 30 20 CHED C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@H]2CCCC[C@@H]12 543907480 QKPUNAQQQMBSRZ-DQYPLSBCSA-N 272.367 3.708 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2c(C#N)nnc3ccccc23)C1 450939295 BVVNARUOBLRUQK-ZDUSSCGKSA-N 294.402 3.764 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(CC#N)cc2)CCCC1(C)C 278497538 WYEAUVFSZCPMJE-QGZVFWFLSA-N 296.414 3.960 30 20 CHED C=CCC[C@@H](NC[C@@H](OC)c1cccc(OC)c1)C1CC1 624031692 QREDWQGOFXWAIN-QZTJIDSGSA-N 289.419 3.717 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1C[C@H]1CC)c1ccccc1 452762749 FFHRNFQAGTZDSW-VNQPRFMTSA-N 257.377 3.509 30 20 CHED CC(C)C(CNC(=O)[C@@]1(C#N)CC12CCCC2)C(C)C 451093482 WBEJZWPTLQUILN-KRWDZBQOSA-N 276.424 3.505 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1C#N 459832626 JMAPHAQLNFYSQQ-GXTWGEPZSA-N 256.349 3.713 30 20 CHED C[C@@H](NCCCC#N)c1ccc(N2CCCCC2)c(F)c1 273187638 GGHLZKILKRKSFD-CQSZACIVSA-N 289.398 3.770 30 20 CHED C#CCCN[C@@H](c1ccccc1OC(F)F)C(F)(F)F 272280908 MRTKQZRUPSWADJ-NSHDSACASA-N 293.235 3.504 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)[C@H]1CCOC(C)(C)C1 460658320 PGZFTPGRMJJFHZ-CABCVRRESA-N 296.455 3.720 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCc2c(C)cccc21 546656994 GTUVKMMICOISSW-CJNGLKHVSA-N 272.392 3.636 30 20 CHED COc1ccc(CN(C)c2ccc(SC)cc2)cc1C#N 544928307 XETFVTGVQRDNMU-UHFFFAOYSA-N 298.411 3.925 30 20 CHED C=C(CNC(=O)N1CC(C)(C)[C@H]1C1CC1)c1ccccc1 461417299 JMJHAWVSOAYLLA-MRXNPFEDSA-N 284.403 3.530 30 20 CHED CC(C)(C#N)CCNc1ccc(Cl)c([N+](=O)[O-])c1 288651812 FHCHQLBHCBMIOV-UHFFFAOYSA-N 267.716 3.600 30 20 CHED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CC#N 464766544 UIGAMMNHCSFHRD-CQSZACIVSA-N 250.345 3.870 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ccncc2)C1 289383010 QFZCGRPZNADOOT-HNAYVOBHSA-N 291.398 3.894 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)[C@](C)(C#N)CC)cc1 285157868 QQXOPLZRVISBRO-WBMJQRKESA-N 274.364 3.742 30 20 CHED Cc1ccc2c(c1)CCCN2CCCC1(C#N)CCOCC1 281916823 GWKYLEVLMVZAFA-UHFFFAOYSA-N 298.430 3.848 30 20 CHED N#Cc1ccc(CN2CC[C@](F)(c3ccccc3F)C2)cc1 558863472 UQAZLFSEMHLIEV-GOSISDBHSA-N 298.336 3.768 30 20 CHED CC(C)(C#N)CCOc1ccc([C@@H]2CCOC2)cc1 282031639 WQQURJVWHQYZTI-CQSZACIVSA-N 259.349 3.509 30 20 CHED C=CCCN(C)C(=O)CCOc1ccc(C(C)C)cc1 467052125 VTOONCZNLKQEKX-UHFFFAOYSA-N 275.392 3.613 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2cc(F)ccc2o1 554427388 LTCQIEBLNNOUDL-UHFFFAOYSA-N 275.323 3.904 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 286829812 UPHAFHPEPJNOMZ-KRWDZBQOSA-N 297.358 3.837 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(CC)cc1 468001639 CVURNICBNNKGIM-KRWDZBQOSA-N 259.393 3.510 30 20 CHED CC(C)Nc1ccc(F)cc1NC(=O)CC(C)(C)C#N 283566292 VZXTVYWQTXUTPK-UHFFFAOYSA-N 277.343 3.524 30 20 CHED C=CCCCCCCNCc1cn(C)nc1-c1cccnc1 289969146 DADDEVDGKHYICL-UHFFFAOYSA-N 298.434 3.708 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)NCC(C)(C)CCC#N 557999392 DETYEIZAWZNBAC-UONOGXRCSA-N 264.413 3.649 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cc(C)ccn1 285910430 DDXMUJRJXSTKLB-OAHLLOKOSA-N 282.387 3.806 30 20 CHED CC1(C)CCCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 474104416 HMKUHYMBYPSCSS-UHFFFAOYSA-N 296.414 3.629 30 20 CHED C=C[C@@H](CC(=O)N1CC(C)(C)[C@@H]1C1CC1)c1ccccc1 291115444 MXIZDJPAGAABIN-KSSFIOAISA-N 283.415 3.993 30 20 CHED C=CCC(C)(C)C(=O)NCCCc1c[nH]c2ccccc12 292833480 PGELUTMUDIKNLQ-UHFFFAOYSA-N 284.403 3.819 30 20 CHED Cc1noc(C)c1/C=C1/C(=O)c2ccccc2[C@H]1C 809156250 JYTVWUADBSYVSI-MBBDXHFBSA-N 253.301 3.675 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1ncoc1C1CC1 293790194 AHMOTWRDUXAUIG-UHFFFAOYSA-N 299.326 3.508 30 20 CHED C=CCN(Cc1ccc2c(c1)OCO2)C1CCCCC1 477516249 YREFEDCLINLGRM-UHFFFAOYSA-N 273.376 3.736 30 20 CHED CC(C)(C#N)CC(=O)OCc1cccc(-c2ccccn2)c1 800977238 XHDAUBGKFOBDBY-UHFFFAOYSA-N 294.354 3.732 30 20 CHED N#Cc1ccc(C(=O)OC[C@@H]2CCCSC2)cc1Cl 806052147 DCCRAVJVAGTGEY-JTQLQIEISA-N 295.791 3.512 30 20 CHED CCc1cc(OC)ccc1CNCc1ccc(CC#N)cc1 567853801 OTCKARKSQDVFGJ-UHFFFAOYSA-N 294.398 3.613 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)cc2)oc1C 800476350 JRCJDOIAAPULJI-GFCCVEGCSA-N 254.333 3.619 30 20 CHED Cc1[nH]c2ccc(-c3noc(CCCC#N)n3)cc2c1C 291114255 TYWRTVYSZKVHJY-UHFFFAOYSA-N 280.331 3.681 30 20 CHED C=C(C)CN(C)C(=O)CCCc1ccc(Cl)cc1 479305394 HIMFKCQRGHIOEP-UHFFFAOYSA-N 265.784 3.697 30 20 CHED C=CCCCCNC(=O)c1ccc(N2CCCC2)c(F)c1 471700569 KQRBKFOVBLDQGW-UHFFFAOYSA-N 290.382 3.512 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 475694545 HJQSGZQVYHVZPP-RWMBFGLXSA-N 297.185 3.515 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2CCCc3ccc(F)cc32)C1 475495933 UISDPBRLRHYIIJ-NUTKFTJISA-N 272.367 3.875 30 20 CHED C[C@H](Cc1ccccc1F)N[C@H]1CCc2ccc(C#N)cc21 564383400 ZNOGRIHORYXUSH-YJYMSZOUSA-N 294.373 3.905 30 20 CHED C=CCOCCCN[C@H](c1ccccc1C)C1CC1 470777374 VDGAWEVKPRVFCP-KRWDZBQOSA-N 259.393 3.628 30 20 CHED C=CCCc1noc([C@H](C)c2c(F)cccc2F)n1 297401188 SMLKJFSUGFHJCE-SECBINFHSA-N 264.275 3.618 30 20 CHED C=CCCC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 294701265 VFXICGUWYPZJAQ-MRXNPFEDSA-N 257.377 3.531 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(Cl)c(C)c2)no1 806556102 MLTVCLTTXWQAPI-GQCTYLIASA-N 261.708 3.841 30 20 CHED CC#CCCCC(=O)Nc1ccc2cc(OC)ccc2c1 804308363 ZEQWDWXPHLMUBF-UHFFFAOYSA-N 281.355 3.981 30 20 CHED C=CC[C@H](C(=O)Nc1nc(CCC)co1)c1ccccc1 569136353 AHDQOXXCTCMWSZ-HNNXBMFYSA-N 284.359 3.926 30 20 CHED C=CCCS(=O)(=O)N[C@H](CC(C)C)c1ccccc1C 480991840 NLVHYRLSFTUTES-MRXNPFEDSA-N 295.448 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30 20 CHED C=CC[C@H](C)NCc1ccc(-c2ccccc2C(=O)OC)o1 482199774 PVBWDMPJOQCVRI-ZDUSSCGKSA-N 299.370 3.787 30 20 CHED C#C[C@H](N[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(Cl)cc1 811517216 LIHBZIKKLJSOMZ-IXDOHACOSA-N 291.822 3.808 30 20 CHED C=CCCCCC[C@@H](C)NCc1cnccc1OC 815628460 AKLGWVRJMPZIPS-CQSZACIVSA-N 262.397 3.705 30 20 CHED CC(C)(C)CC(=NNC[C@@H]1CCSC1)C1CC1 811661402 KPFGKGUYLUWRKD-NSHDSACASA-N 254.443 3.531 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H](C)C(C)(F)F)n1 815673912 GRVQWJRRAHTLKL-SNVBAGLBSA-N 292.285 3.507 30 20 CHED Fc1ccccc1NN=Cc1c(F)cccc1F 812458718 IVRCYQYJKKABHV-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CC[C@H](C)CON=C1CC[C@@H]2CNc3cccc1c32 814939678 YQWSMCUADUPOIX-NWDGAFQWSA-N 258.365 3.756 30 20 CHED C=CCC[C@@H](C)NCc1cc(-c2ccccc2)on1 570974979 XAQAKTOWZCAMKV-CYBMUJFWSA-N 256.349 3.786 30 20 CHED Clc1scc(C=NNC[C@@H]2CCSC2)c1Cl 811660651 RWIMRCLJMOWFBZ-ZETCQYMHSA-N 295.260 3.732 30 20 CHED C#C[C@H](Nc1ccc(C#N)c(C)n1)c1ccc(Cl)cc1F 813605911 WZVZZINPJYXQLT-HNNXBMFYSA-N 299.736 3.841 30 20 CHED C=CCCC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 489674006 YCQYMINWPFOUSQ-JKSUJKDBSA-N 257.377 3.795 30 20 CHED CCc1cnc(C=NN2CCC(C(C)(C)C)CC2)s1 814913539 PHHLJSLUGSACSI-UHFFFAOYSA-N 279.453 3.798 30 20 CHED O=C(O)c1cccc(NN=C(Cc2ccccc2)C2CC2)c1 729141191 UTDLSRBJKKJULI-UHFFFAOYSA-N 294.354 3.805 30 20 CHED C=CCCCNC(=O)Nc1c(F)cccc1Cl 570680463 ZFTZEZPKKVYIGB-UHFFFAOYSA-N 256.708 3.567 30 20 CHED O=C1/C(=C\c2ccc3oncc3c2)CCc2cc(O)ccc21 821040253 WYZVMFCWQJZOFH-QPEQYQDCSA-N 291.306 3.746 30 20 CHED C=C(C)C[C@@H](C)C(=O)N(C)Cc1sccc1C 572620296 BGWXKGPDCMXQEY-GFCCVEGCSA-N 251.395 3.617 30 20 CHED C[C@H](C#N)CN[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 575985167 RVETZGIEBNKSOB-INWMFGNUSA-N 276.811 3.800 30 20 CHED Cc1cccc(CCC(=O)OCc2ccc(F)cc2C#N)c1 728617028 FCCVZQNLRQFFMR-UHFFFAOYSA-N 297.329 3.682 30 20 CHED CC(C)(C)[C@@H](NC[C@@H](C#N)CCC#N)c1ccccc1 572834566 QXYKHWKFYDDUDK-ZBFHGGJFSA-N 269.392 3.807 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1c[nH]c2ccccc12 499489370 DRBPUSYLLIUJPB-GOSISDBHSA-N 297.402 3.545 30 20 CHED CC(C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)=C1CCC1 825751151 LNRSZSSJMNVQHI-AWEZNQCLSA-N 274.751 3.521 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(C)c3c2CCC3)n1 583423304 AWSYHXDNRFEDIU-HNNXBMFYSA-N 296.395 3.739 30 20 CHED O=C1/C(=C\c2cccc(F)c2)CCOc2ccccc21 728441533 LJIFHZCTKDVBOF-RAXLEYEMSA-N 268.287 3.875 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H]1CCC 829501443 FQJKHIFSXMVQMV-CHWSQXEVSA-N 289.341 3.617 30 20 CHED O=C(/C=C\c1ccc(OCC2CC2)cc1)c1cncc(F)c1 588579601 SMHMVKQFKWVBRI-YVMONPNESA-N 297.329 3.906 30 20 CHED C=C(C)C(C)(C)C(=O)OCC[C@H]1CC1(Cl)Cl 821452400 YVHCBTAURJEALO-VIFPVBQESA-N 265.180 3.716 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 582608939 FNBYLPJSDPTGGY-SDDRHHMPSA-N 277.330 3.826 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnc(Cl)cc1Cl 905689155 LKUCWNJIXXDLKD-QMMMGPOBSA-N 273.163 3.929 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(O)c(Cl)c1 901162395 KLBURURSNKLFLC-UHFFFAOYSA-N 253.729 3.586 30 20 CHED CCCCN(CCCC)C(=O)c1ccsc1C#N 901937864 SVSDJHUWOKBSEN-UHFFFAOYSA-N 264.394 3.662 30 20 CHED Cn1ncc(Cl)c1/C=C\C(=O)c1cc2ccccc2o1 588534841 XBXLUSAXPCOVBD-SREVYHEPSA-N 286.718 3.716 30 20 CHED CC(=NNc1ccc(Cl)cc1C)c1cn(C)nc1C 905511445 PNEHPNSMSPPLLB-UHFFFAOYSA-N 276.771 3.526 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1c(C)cccc1Cl 736024012 ZMAAJERFENVNHY-NSHDSACASA-N 268.740 3.535 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC2(CCC2)CC1 586783243 MOWJOJZASFRIPT-CQSZACIVSA-N 254.377 3.885 30 20 CHED Cc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1 734305030 GAFXVOLDBJSAFY-RIYZIHGNSA-N 252.288 3.957 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCc1cc(F)cc(F)c1)CC2 589337651 DBVTUVLTZDJYQR-GOSISDBHSA-N 298.336 3.656 30 20 CHED Clc1ccc2ncc(C=NOCc3ccccc3)n2c1 737429364 SSLSTOSKYALCNA-UHFFFAOYSA-N 285.734 3.538 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)CCc2ccco2)C1 660254645 OKJAKTWGUUEIKV-GJZGRUSLSA-N 290.407 3.598 30 20 CHED CCc1ccc(C=NNC(=S)Nc2ccccc2)s1 731149308 TWVYRTWRHBSXGS-UHFFFAOYSA-N 289.429 3.631 30 20 CHED Cc1ccc(C[C@H](C)/N=C/c2ccccc2O)s1 737441194 YSJONOZMUVWOFH-YAFRSCOQSA-N 259.374 3.812 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2CCc3ccc(F)cc32)c1 730146836 GXWPFPKQWZIXNW-JJLFXSABSA-N 285.318 3.646 30 20 CHED CCCC(=NNc1cccnn1)c1ccc(Cl)cc1 735973484 LTHMSHYBOCIONT-UHFFFAOYSA-N 274.755 3.746 30 20 CHED Cc1ccc([C@H]2C[C@H]2C(=O)N2CCC(CCC#N)CC2)cc1 584841490 PFTYEYLXRXPOIB-QZTJIDSGSA-N 296.414 3.641 30 20 CHED C=C(Br)COC(=O)[C@H](CC)Cc1ccccc1 732854746 QWODGNYDASVWDE-CYBMUJFWSA-N 297.192 3.707 30 20 CHED CC(C)(C(=O)[C@H](C#N)c1nc2ccccc2o1)C1CCC1 835076158 DPYNELLISZWOHO-LBPRGKRZSA-N 282.343 3.830 30 20 CHED C[C@H]1C/C(=C\c2cnn(C)c2Cl)C(=O)c2ccccc21 834429980 BTVWVPVULFILHW-NGPGYTDTSA-N 286.762 3.847 30 20 CHED CCCCCCC[C@@H](C)CN[C@@H]1CCn2ccnc21 834527193 XUJIKJWKHDUCSS-HUUCEWRRSA-N 263.429 3.914 30 20 CHED CCCC(=NNc1ccc(C(=O)O)cn1)C1CCCC1 834966834 PADOSURTYKYYNQ-UHFFFAOYSA-N 275.352 3.538 30 20 CHED C#CCCNC(=O)Nc1ccc(SC(C)(C)C)c(F)c1 836721359 LICYWKQONSYTLK-UHFFFAOYSA-N 294.395 3.861 30 20 CHED CCOc1ccc(C[C@H](C)CNCc2ccc(C#N)o2)cc1 590781214 LDIDNVBASXQPJI-AWEZNQCLSA-N 298.386 3.518 30 20 CHED C=CCN(C(=O)CCCc1sccc1C)C(C)C 747858003 RXWMNUHKUNFXRD-UHFFFAOYSA-N 265.422 3.802 30 20 CHED CCC(C#N)(CC)C(=O)NCCC(C)(C)c1ccccc1 599154972 RUZPFUPAYYORGE-UHFFFAOYSA-N 286.419 3.800 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)C1CCCCC1 741466543 UYEBTFVTJIYKGT-ZSAINHDTSA-N 261.365 3.789 30 20 CHED CC(C)c1cnn(Cc2ccc(Cl)cc2C#N)c1 592361287 SZWWIDPREMRCRU-UHFFFAOYSA-N 259.740 3.580 30 20 CHED CCCCCCCNC(=O)Nc1ccccc1F 916645128 FBXRQKHTRODHBC-UHFFFAOYSA-N 252.333 3.918 30 20 CHED CCN(CCC(C)(C)C#N)Cc1ccc(CN(C)C)cc1 599658593 CSYPIJUMEMKRAX-UHFFFAOYSA-N 287.451 3.510 30 20 CHED CC(C)(C)c1ccncc1C/N=C/c1ccccc1O 840712161 WSIPSAZJOMSKNW-VXLYETTFSA-N 268.360 3.704 30 20 CHED CC(CCc1ccccc1)=NNc1cncc(Cl)n1 914559493 CDVCTHDESMRIGM-UHFFFAOYSA-N 274.755 3.551 30 20 CHED C#CC[C@@H](NC(=O)N1CC(C)(C)C[C@@H]1C)c1ccccc1 840331816 FAWBJXKUEQAUAJ-GOEBONIOSA-N 284.403 3.581 30 20 CHED CC(C)(C)c1ccn(CCCOc2cccc(C#N)c2)n1 590585482 CACUXKUSNORASR-UHFFFAOYSA-N 283.375 3.521 30 20 CHED CCC(=NNc1cccc(Cl)c1)c1c(C)nn(C)c1C 741837879 PRIVFRLBFDQXDY-UHFFFAOYSA-N 290.798 3.917 30 20 CHED C#CCN(C(=S)N[C@@H]1CCCC[C@@H]1C)C1CCCCC1 743584678 CBUXFBYIFKWCBQ-GOEBONIOSA-N 292.492 3.708 30 20 CHED C[C@H]1CCCC[C@H]1NC(=S)Nc1cccc(CC#N)c1 840823664 OSUXBKUQMKLBEV-SWLSCSKDSA-N 287.432 3.618 30 20 CHED N#CC1(COC(=O)c2coc3ccc(Cl)cc23)CC1 845411530 BJLNGAWGSDFLDA-UHFFFAOYSA-N 275.691 3.547 30 20 CHED C=CCCSCCNC(=O)c1ccc(CSC)cc1 597974605 PEPSQIKRKNQBJQ-UHFFFAOYSA-N 295.473 3.589 30 20 CHED CC(=NNc1ncnc2sc(C)c(C)c12)c1cccnc1 916309038 AFMCHQZNHUDCFY-UHFFFAOYSA-N 297.387 3.539 30 20 CHED N#CC1(CC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CCCCC1 597797759 DTOCWPAYBLGJQA-JKSUJKDBSA-N 288.435 3.936 30 20 CHED CCC[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1O)OC 840707115 NPMPFLADDFZCPS-FQKZPNAISA-N 290.190 3.933 30 20 CHED C#CCCc1noc(CCCc2ccc(SC)cc2)n1 842965212 DWKLCXGPAVQPIA-UHFFFAOYSA-N 286.400 3.533 30 20 CHED Cc1cc(F)c(C(=O)N(CCC#N)CC(C)(C)C)c(F)c1 598815135 MPSCUNNJSXUIGF-UHFFFAOYSA-N 294.345 3.675 30 20 CHED C[C@@H](CC#N)OC(=O)c1csc(C2CCCCC2)n1 842310927 OUBFHNIYCNOUHW-JTQLQIEISA-N 278.377 3.650 30 20 CHED Cc1cccc(NN=Cc2ccc3ccccc3n2)c1 741451115 KXNBFOFUTDPJQU-UHFFFAOYSA-N 261.328 3.989 30 20 CHED CCC[C@@H](C(=O)N(C)CCC#N)c1ccc(Cl)cc1 596911668 ZOVCLBQOOBTWIV-CQSZACIVSA-N 278.783 3.596 30 20 CHED N#C[C@H](c1ccccc1)N1CCC([C@H]2CCCCO2)CC1 595783351 MTUCTKVMYSLQPO-QZTJIDSGSA-N 284.403 3.532 30 20 CHED C=C(C)CNC(=S)N(C)[C@H](C)CSc1ccccc1 844572349 XRWQFHRNHYWRQG-CYBMUJFWSA-N 294.489 3.550 30 20 CHED CC1(C)CCc2ccc(OCC3(CC#N)CC3)cc2O1 596268929 OAWXSGVMKQHAJW-UHFFFAOYSA-N 271.360 3.863 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2cccc(OCC#N)c2)CC1 843530794 MGFBIWRAMFQXND-AWEZNQCLSA-N 284.359 3.664 30 20 CHED CCCCCCCNCc1c[nH]nc1C(C)(C)C 918198499 KSGKIAGVNHGXPT-UHFFFAOYSA-N 251.418 3.767 30 20 CHED C[C@@H](OC(=O)[C@@H]1Cc2ccccc21)c1ccc(C#N)cc1 748679465 GWCWNWSJEWTKLW-SJKOYZFVSA-N 277.323 3.502 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)C[C@H](C)C#N 918134728 CKBXZKDGENSPMG-HUUCEWRRSA-N 281.444 3.784 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)c2ccc(C)o2)c1 742633719 GOCLBECTROAXHT-AWEZNQCLSA-N 281.355 3.726 30 20 CHED C=C[C@H](C)Nc1ncnc2cc(F)c(Br)cc12 680829818 RXKZRIZTUBSYFD-ZETCQYMHSA-N 296.143 3.518 30 20 CHED N#CC1(CCOc2ccc(C=O)cc2)CCCCC1 842013827 AHSCNZGCILJZRJ-UHFFFAOYSA-N 257.333 3.742 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](C)CC(C)(C)c1ccccc1 845642417 QVVKJQBMZPLOTG-ZIAGYGMSSA-N 290.407 3.548 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1c(C3CC3)cnn1C)CC2 849246590 IVCCYNKLBFAJRL-GDNBJRDFSA-N 292.382 3.818 30 20 CHED CC(=NNc1cncc(Cl)n1)c1ccc2ccccc2n1 749809757 JGULHEOPLRPIMT-UHFFFAOYSA-N 297.749 3.514 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)c1ccc(F)cc1F 752152792 RDLSQCVFDXMEEA-OVNPTBDBSA-N 291.297 3.859 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(CCC)cc1 684767230 FDSVORHWPOXUJU-ZWKOTPCHSA-N 273.420 3.710 30 20 CHED CC(CCc1ccccc1F)=NO[C@H]1CCCCO1 755818326 BYBQREFLMPKDDF-HNNXBMFYSA-N 265.328 3.677 30 20 CHED CCCCCCCNC(=O)Nc1cccc(N)c1C 859723827 MPHVOLDJWIDVCO-UHFFFAOYSA-N 263.385 3.669 30 20 CHED Cc1ccccc1CCCOC(=O)c1cc(C#N)cs1 753456623 GJTYHHYNTXSYSH-UHFFFAOYSA-N 285.368 3.718 30 20 CHED N#CC1(CC(=O)OC[C@H]2CCCCS2)CCCCC1 851015471 FCJMGWUGOKIGHB-CYBMUJFWSA-N 281.421 3.679 30 20 CHED C#C[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 754388489 LATBCTMIBMTIEH-MCIONIFRSA-N 296.197 3.625 30 20 CHED CC[C@H]1CC(=NNc2nc3ccccc3s2)CCO1 756816461 UVXXZGUSFVIUBF-NSHDSACASA-N 275.377 3.653 30 20 CHED CC(CC1CCC1)=NNc1ccc(Br)nc1 758371251 UQUSVNPIRXZOAC-UHFFFAOYSA-N 282.185 3.822 30 20 CHED FC(F)(F)c1cccc(NN=C[C@@H]2CC2(Cl)Cl)n1 853309860 KGWVQSIIZIGWNH-LURJTMIESA-N 298.095 3.692 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ncc(C(F)(F)F)cc1Cl 925265501 ZTFGWZWHDMQNHM-HTQZYQBOSA-N 278.705 3.979 30 20 CHED CC[C@@H](/N=C\c1cccc(O)c1O)c1ccc(OC)cc1 920947744 SVGFEGMPGLTBDS-JQFNYASXSA-N 285.343 3.677 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCCc2ccccc21 851213561 RHHQFPJOYWNMPY-XJKSGUPXSA-N 285.387 3.978 30 20 CHED C[C@H](C=NNc1ncc(Cl)cn1)CCc1ccccc1 857222902 FVBQJLXPKWMCKT-LBPRGKRZSA-N 288.782 3.797 30 20 CHED Cc1ccc(F)c(NN=Cc2cnc3ccccc3n2)c1 759668085 XUYSROYODKSMDA-UHFFFAOYSA-N 280.306 3.523 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1cccc(Cl)c1 920401175 YXPRLHDDAKLXJW-UHFFFAOYSA-N 291.782 3.746 30 20 CHED N#C[C@H]1CCCN(C(=O)CCCCCc2cccs2)C1 928224997 VPNMKXZKEHVHNK-CQSZACIVSA-N 290.432 3.613 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccc(C#N)c(C(F)(F)F)c1 758375276 PCCHGXKXRUZMQI-WPRPVWTQSA-N 267.254 3.631 30 20 CHED CCc1cccc(C)c1NN=Cc1c(C2CC2)cnn1C 853342441 FGDKMWCJBGREBV-UHFFFAOYSA-N 282.391 3.614 30 20 CHED Cc1ccccc1COC(=O)NCC(C)(C)CCC#N 859159675 OZEOJDANTZSQCO-UHFFFAOYSA-N 274.364 3.551 30 20 CHED N#C[C@H](C(=O)C1CCC2(CC1)CC2)c1nc2ccccc2o1 850781647 AWRHIGFXETVQQG-CYBMUJFWSA-N 294.354 3.974 30 20 CHED CCC[C@H]1CCCCN1C(=O)c1cc(C#N)ccc1C 935376943 LOMAZJMYBQTSEK-HNNXBMFYSA-N 270.376 3.662 30 20 CHED CC(=NOCC(F)F)c1sc(C(C)(C)C)nc1C 758903723 PEWJKCAMJDLMPA-UHFFFAOYSA-N 276.352 3.755 30 20 CHED Cc1cc(CNC[C@@H](C)c2cccc(F)c2)ccc1C#N 767693254 JYTMRKMXIXHVPC-CQSZACIVSA-N 282.362 3.899 30 20 CHED COc1cc(C#N)ccc1COC(=O)C(C)(C)CC(C)C 766902305 ZOWWZKUJYIFWKJ-UHFFFAOYSA-N 289.375 3.682 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@@H](c1cccc(Cl)c1)C(C)C 767231497 DTAHYHGPLJGTPO-IUODEOHRSA-N 277.795 3.560 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(-c2ccon2)c1 933787576 OHFWIFJDKBAVLB-ZDUSSCGKSA-N 285.347 3.818 30 20 CHED C[C@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 767970870 KXBLTYBMYUXVMA-CQSZACIVSA-N 294.398 3.610 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)c1cccc(F)c1F 766670023 AJOZIFXSVJQNFP-OVNPTBDBSA-N 291.297 3.859 30 20 CHED N#Cc1c(Cl)nsc1NCCCc1cccs1 769918896 AONOISKGMUQCLI-UHFFFAOYSA-N 283.809 3.774 30 20 CHED Fc1cccc(NN=Cc2c[nH]c3cccc(F)c23)c1 763356394 QLNYQTKGACTTLB-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C#CCCCSc1nnc(-c2cccc(C)c2)o1 766275930 MFYXNLUDFSVQBY-UHFFFAOYSA-N 258.346 3.551 30 20 CHED C=C[C@@](C)(CC)c1nnc(CCc2ccc(OC)cc2)o1 1118430148 NOSLIKYHSHDATC-KRWDZBQOSA-N 286.375 3.717 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)c1cncs1 767761077 HKAXYOWGTVPKMD-UHFFFAOYSA-N 289.363 3.995 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](C(C)(C)C)C(F)(F)F 1116936263 CMATWOSDPWYRMD-CYBMUJFWSA-N 298.308 3.574 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)CCc1ccsc1 765614114 QFKPFGGTKNVXLI-HNNXBMFYSA-N 299.439 3.871 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1ccnc(C)n1 1116777677 YGLIGACUABCOJK-UHFFFAOYSA-N 282.391 3.919 30 20 CHED C#CC[C@H](NC[C@@H]1CCOc2ccccc21)c1ccccc1 776252192 JTGOENKIVUAOBR-HKUYNNGSSA-N 291.394 3.907 30 20 CHED Cc1ncccc1C=NNc1ccccc1OC(F)(F)F 777453602 QTBDGSMBZRFDFS-UHFFFAOYSA-N 295.264 3.735 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1nc(C)cs1)C1CC1 878966969 LTQFOKYRAUXSAJ-ZDUSSCGKSA-N 278.421 3.621 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2C[C@@]2(C)C(C)C)cc1 775824394 HAEYOERIFCWCGB-AEFFLSMTSA-N 284.403 3.924 30 20 CHED C[C@@H](C(=O)OCC#Cc1ccc(F)cc1)c1ccsc1 771363632 ROYKDRHMRVQBQU-GFCCVEGCSA-N 288.343 3.586 30 20 CHED C=CC[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccncc1 777671470 VOYWKYACENTMPM-HOCLYGCPSA-N 270.376 3.561 30 20 CHED C#CCOc1cccc(Cl)c1CN[C@H]1CCC(F)(F)C1 778173595 LUCXGCDDADYXBM-NSHDSACASA-N 299.748 3.629 30 20 CHED Cc1nc(C2CCC2)nn1CCC1(C#N)CCCCC1 1118035130 NOOLDBCIDSMLJJ-UHFFFAOYSA-N 272.396 3.718 30 20 CHED O=C(O)c1ccc(/C=C2/CCc3ccc(F)cc3C2=O)cc1 776191647 FBUGMMJSIZLLHG-ZROIWOOFSA-N 296.297 3.736 30 20 CHED COC(=O)c1cccc(NN=C(C)C2CCCCC2)c1 779828606 YZSMGFPXQKQTHO-UHFFFAOYSA-N 274.364 3.841 30 20 CHED CCOCCON=C(C)Cc1ccc(C(F)(F)F)cc1 774433626 LICXRDBAIRTHGH-UHFFFAOYSA-N 289.297 3.677 30 20 CHED C#CCCN[C@@H](c1ccc(Br)cc1)C1CCC1 775201834 HBGSOFWXEONIRR-OAHLLOKOSA-N 292.220 3.903 30 20 CHED O=C(/C=C\c1cccc(Cl)c1F)c1cscn1 776193436 YQXBWSCNTDIBBP-PLNGDYQASA-N 267.712 3.832 30 20 CHED COC(=O)c1coc(/C=C2/C[C@H](C)c3ccccc3C2=O)c1 774134584 DJSHOUWZZPBNBK-LCFDYFRESA-N 296.322 3.840 30 20 CHED C=CC[C@@H](C(=O)Oc1ccc(OC)cc1)c1ccccc1 777404276 XSPZEVWZQOBWOS-QGZVFWFLSA-N 282.339 3.961 30 20 CHED COc1ccc(OC(F)F)c(C=NOC2CCCC2)c1 774603203 OXSXFPUORQIWLK-UHFFFAOYSA-N 285.290 3.590 30 20 CHED C[C@H](CCNC(=O)c1csc(C#N)c1)CC(C)(C)C 1128012714 CVTNDMXURURTHB-LLVKDONJSA-N 278.421 3.812 30 20 CHED C[C@H](Cc1ccco1)N[C@H]1CCCc2cc(C#N)ccc21 775362913 JQOYZZDEJKHCRG-ACJLOTCBSA-N 280.371 3.749 30 20 CHED C#CCN(C(=O)/C=C(/C)Cl)[C@@H]1CCCc2ccccc21 887230407 NLVKKTHJRUYIJI-BFFYNSAMSA-N 287.790 3.668 30 20 CHED C=C(Cl)CN(C)[C@H]1CC[C@H](N(C)CC(=C)Cl)CC1 886386791 HFUMSBLSXNAMCQ-HDJSIYSDSA-N 291.266 3.666 30 20 CHED C[C@H]1CCc2[nH]c3ccc(C(=O)OC(C)(C)C#N)cc3c2C1 779223498 SIQXXQWSDVDWFU-NSHDSACASA-N 296.370 3.752 30 20 CHED COc1ccc(C)cc1/C=C1/Cc2cc(O)ccc2C1=O 780186813 OEFCCWIKNDKWCD-ZROIWOOFSA-N 280.323 3.532 30 20 CHED CCOCc1cc(C=NNCCC(C)(C)C)ccc1OC 782908638 XLICGSPQCXWVQA-UHFFFAOYSA-N 292.423 3.591 30 20 CHED C=C(Cl)CN(C)[C@@H](COC)c1ccc(Cl)cc1 786177467 DHTCTRLODAECEQ-ZDUSSCGKSA-N 274.191 3.712 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)C1)c1ccccc1 888017121 GXWRHNLLPWOHSE-KGLIPLIRSA-N 297.320 3.757 30 20 CHED C#CCOc1ccc([C@H](C)NCC2(SC)CCC2)cc1 788605126 GCASTVIWCCNSEB-AWEZNQCLSA-N 289.444 3.635 30 20 CHED CCc1oc2ccccc2c1C=NNc1ccc(OC)cn1 780269615 SYGZTVIJIQJNPV-UHFFFAOYSA-N 295.342 3.845 30 20 CHED C#CCCCCC(=O)OCc1cc(F)ccc1Cl 782299235 SSFKJMYKOGHPQZ-UHFFFAOYSA-N 268.715 3.716 30 20 CHED C=CCC1(O)CCN(C[C@H](CC)c2ccccc2)CC1 895835612 IUVZZEFAOBWWOS-INIZCTEOSA-N 273.420 3.583 30 20 CHED C=C1CC(c2noc(CCc3ccc(OCC)cc3)n2)C1 896884710 QAQREFXWASRTDY-UHFFFAOYSA-N 284.359 3.687 30 20 CHED Cc1cc(C(=O)/C=C/c2cnn(C3CCC3)c2)cs1 899380626 PKGIEJJDCZLMGW-AATRIKPKSA-N 272.373 3.874 30 20 CHED Cc1ccoc1C(=O)/C=C\c1scnc1C1CC1 782347409 KNQZLXCGGSKHKA-PLNGDYQASA-N 259.330 3.818 30 20 CHED COc1ccccc1CCC(=O)OCCCC(C)(C)C#N 782059188 SVCWYNWYKUTKCE-UHFFFAOYSA-N 289.375 3.501 30 20 CHED C#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 891314735 ZBKTZTOGCSNTDD-CHWSQXEVSA-N 295.304 3.975 30 20 CHED C[C@H]1C[C@@H]1C=NNCc1c(Cl)cccc1Cl 793116960 HEFQTGZVTDIQBD-DTWKUNHWSA-N 257.164 3.725 30 20 CHED COc1cc(N=Cc2c(O)cccc2OC)c(C)cc1C 794847621 IIVTXOCNQQNRMK-UHFFFAOYSA-N 285.343 3.777 30 20 CHED C=C(Cl)CN[C@H](C)Cc1ccccc1C(F)(F)F 795800549 FOMKOMNDEXMUFQ-SNVBAGLBSA-N 277.717 3.979 30 20 CHED CC(=NNc1nccn1C)c1ccc(-c2ccccc2)cc1 790305601 KSWWFWZXDQVGQD-UHFFFAOYSA-N 290.370 3.923 30 20 CHED CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1ncc[nH]1 790148864 GCHSXBYRXOXRQS-UHFFFAOYSA-N 299.765 3.756 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)c(C)c1 1138434392 RMBGZOYDWKARTB-UHFFFAOYSA-N 294.398 3.897 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)CCCC)c1ccccc1 799976854 XEZUPJZGDAJUAJ-ZBFHGGJFSA-N 257.377 3.694 30 20 CHED C=C(C)CCN(C)[C@H]1CCCc2nc(CC)sc21 508962405 FPSXNKBLGGZYKW-ZDUSSCGKSA-N 264.438 3.981 30 20 CHED C#CCC(C)(C)C(=O)NCc1cc2ccccc2s1 274262082 CMSDHXGZECNUDX-UHFFFAOYSA-N 271.385 3.567 30 20 CHED C=CCC[C@@H](C)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C 395724882 MPHWIXUZFQEHIS-ZIAGYGMSSA-N 284.444 3.576 30 20 CHED CC[C@H](C)[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)OC 1206376509 ILPZOHSWUQIBNN-GRDNDAEWSA-N 274.408 3.612 30 20 CHED C[C@@H](C#N)CNN=Cc1c[nH]c2cc(Cl)cc(Cl)c12 790172941 ZMDITEYGIVEQTD-QMMMGPOBSA-N 295.173 3.558 30 20 CHED C#Cc1cccc(NC(=O)N(CC2CCC2)CC2CC2)c1 797611612 WLTBEMFNHOARRY-UHFFFAOYSA-N 282.387 3.712 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@H]1CCC(C)(C)C1)c1ccccc1 793129614 PFVKEYAJROYANJ-IRXDYDNUSA-N 298.430 3.971 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](c1ccccc1C)C1CC1 791065566 UWXIRVRJMKYWAP-WBVHZDCISA-N 284.403 3.547 30 20 CHED CCc1cccc(Cl)c1C=NNc1cccc(F)n1 795008379 GLOHDVZMMGKARN-UHFFFAOYSA-N 277.730 3.883 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 798009354 HUVVPSOLPCQPRP-JKSUJKDBSA-N 289.806 3.896 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C 796459523 YDBRVGBQSFCIFP-OAGGEKHMSA-N 263.425 3.759 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N(CCC#N)CC1CC1 567944565 QWAFYGSCLQFUQG-OAHLLOKOSA-N 276.424 3.911 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)Cc2ccccc21 1141166891 NRNLVHJZMWVCKT-UHFFFAOYSA-N 294.373 3.991 30 20 CHED C=CCCSCCNCc1ccc(N2CCCC2)cc1 696083722 CCNSOLHOQGNTMY-UHFFFAOYSA-N 290.476 3.686 30 20 CHED CCCCCCCCNC(=O)c1ccnc(Cl)c1F 765202215 BZAINSBATZVVCL-UHFFFAOYSA-N 286.778 3.964 30 20 CHED CCO[C@@H]1C[C@H](Nc2cc(Cl)ccc2C#N)C12CCC2 87709571 UOCRPGDLDJQLBV-LSDHHAIUSA-N 290.794 3.971 30 20 CHED C#CCN(CCCCC(C)(C)C#N)C1CCCCC1 769706612 VKWHRKNJIUGIMD-UHFFFAOYSA-N 260.425 3.974 30 20 CHED CC1(C)CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 94267223 YXKMYDMDKONJMG-JTQLQIEISA-N 283.297 3.963 30 20 CHED COc1ccc(C#N)cc1CN(C)CCc1ccccc1C 1307795476 ZKBVJHNISZXGJI-UHFFFAOYSA-N 294.398 3.550 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cc(C)oc1C)C(C)C 1318058501 YEZAOAWDAWMQEJ-GFCCVEGCSA-N 264.369 3.563 30 20 CHED CN(Cc1cc2ccccc2[nH]1)Cc1cc(C#N)ccc1F 1319016763 NPDCTCOVMLMUDT-UHFFFAOYSA-N 293.345 3.811 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2cccc(F)c2)s1 1320298672 JWEICYCWVGHTHL-AWEZNQCLSA-N 291.391 3.845 30 20 CHED Cn1cc(-c2ccc(/C=C/c3ccncc3C#N)cc2)cn1 1327843238 PDZCFWXRTWFHDZ-QPJJXVBHSA-N 286.338 3.524 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 1324494506 JJHOKZYRBYFKDJ-VIFPVBQESA-N 280.368 3.814 30 20 CHED Nc1ccc(C=NNc2ccc(F)c(F)c2F)cc1Cl 1324207930 UMAUPFSORZPPDI-UHFFFAOYSA-N 299.683 3.786 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccnc(C2CC2)c1 1336237549 DJWRUSSHTNASKV-HNNXBMFYSA-N 270.376 3.530 30 20 CHED CC[C@H](C#N)N(CC)C(=O)C[C@H](C)c1ccccc1C 1337716288 PCVSWWAODKQKHZ-LSDHHAIUSA-N 272.392 3.639 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 200996872 VDIODNVHIOYSMU-INIZCTEOSA-N 256.393 3.816 30 20 CHED C=C(C)CCC(=O)OCc1ccc2ncccc2c1 1342575663 NLHCLDYCURLSMK-UHFFFAOYSA-N 255.317 3.634 30 20 CHED C=C[C@@](C)(CC)c1nnc(-c2ccc(OC)c(OC)c2)o1 1346639225 PIOOAZAYYPOVFH-INIZCTEOSA-N 288.347 3.608 30 20 CHED CCCCCCCCNC(=O)/C=C\c1nccs1 1340052352 RDSIEEDFZCLTJG-HJWRWDBZSA-N 266.410 3.633 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(C)c1 1346240110 XYCOKGQJWLYMRY-OAHLLOKOSA-N 258.365 3.958 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C)n1Cc1ccccc1 1357586696 CKHJUQCDYVIHHY-KRWDZBQOSA-N 296.418 3.570 30 20 CHED N#CC[C@@H](C(=O)Nc1ccc(F)cc1F)c1ccccc1 1355157529 ZIJVLMVYFVBURZ-CYBMUJFWSA-N 286.281 3.601 30 20 CHED CC1(C)CC[C@@H](N=c2cc[nH]c(C#N)c2)c2ccccc21 1458146010 STXMMSLOUJLFQJ-QGZVFWFLSA-N 277.371 3.600 30 20 CHED N#Cc1ccc(F)c(NC(=O)Cc2coc3ccccc23)c1 1528456777 SABHGCGIGRCKEL-UHFFFAOYSA-N 294.285 3.625 30 20 CHED CC(C)[C@H]1N(c2ncc(C#N)cc2F)CC12CCCCC2 1458432161 PRJXZKISEKOGRN-OAHLLOKOSA-N 287.382 3.887 30 20 CHED C[C@@H](CC=NN(Cc1ccccc1)c1ccccc1)C(=O)O 1609737577 BVHNNLMQWAPAEQ-HNNXBMFYSA-N 296.370 3.790 30 20 CHED C=CCC1(C(=O)Nc2cc(C(=O)O)cs2)CCCC1 1609320196 ATHGCSWDNXSMQP-UHFFFAOYSA-N 279.361 3.521 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cnc(C3CCCC3)s2)C1 1461596232 VDRFCMYUTSXBOA-WCQYABFASA-N 275.421 3.583 30 20 CHED N#Cc1ccccc1SC[C@@H]1CCCC[C@@H]1C(=O)O 1601127916 YROFIOMUQDQCEZ-STQMWFEESA-N 275.373 3.541 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1ccc(CC#N)cc1 1615825799 HTKMBUFELNPGLY-HNNXBMFYSA-N 292.382 3.849 30 20 CHED Cc1ccc(CCNc2cc(F)cc(C#N)c2)cc1 1474666461 OQOUKWIIALOKSS-UHFFFAOYSA-N 254.308 3.660 30 20 CHED C[C@@]1(Cc2ccc(F)cc2)CCCN1CC1(CC#N)CC1 1473566924 XGWWQIOUHJOVIH-KRWDZBQOSA-N 286.394 3.917 30 20 CHED N#Cc1c(F)cccc1CNC1(Cc2ccc(F)cc2)CC1 1474524879 KJWMWVKPRAXCDU-UHFFFAOYSA-N 298.336 3.701 30 20 CHED N#Cc1ncccc1SCc1cccc(Cl)c1 1559412521 QVOGWNFRQSOPDC-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC(C)C1(C)CCN(CCOc2ccccc2C#N)CC1 1559770780 WNHLTISVVNQROS-UHFFFAOYSA-N 286.419 3.695 30 20 CHED C[C@@H](CCC#N)CN1CCc2ccc(Br)cc21 1560745700 XIZICTQQQNQMAA-NSHDSACASA-N 293.208 3.751 30 20 CHED CSc1cc(C)ccc1NC(=O)c1ccc(C#N)s1 1585223686 SHRNLOPLTVMQQU-UHFFFAOYSA-N 288.397 3.902 30 20 CHED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)[C@@H]1C 1653942488 NRUOUHMXVHBIEC-KFWWJZLASA-N 270.420 3.964 30 20 CHED CC(C)CC[C@@H](N=c1cc[nH]c(C#N)c1)C(C)(C)C 1655142958 PMKFQUVZWFUJNQ-OAHLLOKOSA-N 259.397 3.638 30 20 CHED Cc1cc(CN2CCc3cccc(C)c32)ccc1C#N 1659400873 RBUMOHIBVUAAEZ-UHFFFAOYSA-N 262.356 3.738 30 20 CHED C[C@H]1CCC[C@H](C=NNc2cccc(F)c2C(=O)O)C1 1594345152 NPIAHLHMFMPFKN-QWRGUYRKSA-N 278.327 3.748 30 20 CHED CCOc1ccc(C=NNc2cccc(C(=O)O)c2)c(C)c1 1776037603 QCWDMPSAENFLDP-UHFFFAOYSA-N 298.342 3.538 30 20 CHED CCC(CCC(F)(F)F)=NNc1ccccc1C(=O)O 1776031243 VFDQLHYJAAQBKG-UHFFFAOYSA-N 288.269 3.905 30 20 CHED Cc1c(NN=C2CCc3ccccc3C2)cccc1C(=O)O 1776086387 RHYKAPWIVCLIKC-UHFFFAOYSA-N 294.354 3.650 30 20 CHED COc1cccc(O)c1/C=N/CC1(c2ccccc2)CCC1 11121621 BARUSMYFYFVOMQ-DEDYPNTBSA-N 295.382 3.942 30 20 CHED CCCCCCCC(=O)N[C@H](CCO)c1ccccc1 150950885 RSNSBUPKNRVXJE-MRXNPFEDSA-N 277.408 3.587 30 20 CHED CC(C)(C(=O)N[C@H](C#N)c1ccccc1F)C1CCCC1 161318142 HJYMHPSIVAXSSB-OAHLLOKOSA-N 288.366 3.723 30 20 CHED C=CCOc1cccc(NC(=O)NCC2(C3CC3)CC2)c1 162508493 RCEBFJLDCFJJQA-UHFFFAOYSA-N 286.375 3.563 30 20 CHED Cc1cc(C#N)ccc1COc1c(F)cc(C=O)cc1F 165706710 AJVYCPXCHQLLNZ-UHFFFAOYSA-N 287.265 3.536 30 20 CHED N#Cc1c(Br)cccc1N1C[C@H]2CCC[C@@H]2C1 168581426 LMNLGZCAJYKIKB-GHMZBOCLSA-N 291.192 3.557 30 20 CHED N#CC1(C(=O)NCC2(Cc3ccccc3)CC2)CCCCC1 151543019 HXNHNAGIDRVSCV-UHFFFAOYSA-N 296.414 3.600 30 20 CHED C=CCCS[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 151990477 CDLMNVXYDPQOOP-NEPJUHHUSA-N 281.396 3.701 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc(Cl)c1F 152415747 XFRAGYYHXHFWEZ-UHFFFAOYSA-N 296.773 3.881 30 20 CHED N#Cc1ccc(CSc2ccc(C(=O)O)cc2)cc1 19396893 RXBBZGVJQSZOOI-UHFFFAOYSA-N 269.325 3.549 30 20 CHED N#Cc1ccc(NCC2CCC2)cc1C(F)(F)F 37180912 HPELBNIAXJDWLO-UHFFFAOYSA-N 254.255 3.789 30 20 CHED C[C@@H](Cc1ccsc1)N[C@@H](C)c1ccc(C#N)cc1 49154483 JXEHIZOXOLETRB-STQMWFEESA-N 270.401 3.902 30 20 CHED CC[C@H](CC#N)NCc1cccc(Br)c1C 566429582 WQVBXNKGHLOHEN-GFCCVEGCSA-N 281.197 3.539 30 20 CHED C=CCN(CC=C)C(=O)c1c(C)cccc1Br 310507735 TWKAMOGQTSHUGJ-UHFFFAOYSA-N 294.192 3.572 30 20 CHED N#Cc1cc(NCc2cc(Cl)sc2Cl)ccn1 312764166 XMEXHCKBNVKLAR-UHFFFAOYSA-N 284.171 3.934 30 20 CHED Cc1nc(NCC2C[C@@H](C)O[C@H](C)C2)c(Cl)cc1C#N 571103794 VIUQZCCNJMMXGL-NXEZZACHSA-N 293.798 3.531 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H](C2CCCC2)C1 708800313 FUVRUXASBYNCSN-CYBMUJFWSA-N 258.340 3.714 30 20 CHED C=C(C)CCNC(=O)CCCc1c[nH]c2ccccc12 386728257 UQXLDIPVFBYHQL-UHFFFAOYSA-N 270.376 3.573 30 20 CHED N#CC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 397611697 PGVPHCPZSIZWPN-GFCCVEGCSA-N 282.309 3.831 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)s1 398972611 AGCTXAOKVPJLPG-CYBMUJFWSA-N 270.401 3.973 30 20 CHED Cc1c(Cl)cccc1CN1CCC(CC#N)CC1 877190879 CMACNQIXOQCGFK-UHFFFAOYSA-N 262.784 3.774 30 20 CHED CC(C)(C(=O)[C@@H](C#N)c1ccccn1)c1ccc(Cl)cc1 54452429 SHEMGGHHKOPPNV-AWEZNQCLSA-N 298.773 3.889 30 20 CHED C=CCN(Cc1cc(C)no1)Cc1ccc(Cl)s1 53399627 AMWCCBGZNUDECH-UHFFFAOYSA-N 282.796 3.886 30 20 CHED C#CCCCNC(=O)Nc1cccc(Cl)c1OC(C)C 173260911 YGYBZDYMVKXORD-UHFFFAOYSA-N 294.782 3.662 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H](C)c2ccccc2)cc1 107318637 IOOJPMBVPJVKBE-LSDHHAIUSA-N 280.371 3.828 30 20 CHED C=CCCO[C@H](C)C(=O)N(Cc1ccco1)c1ccccc1 69331657 UBXRGVTVYUPPLH-OAHLLOKOSA-N 299.370 3.794 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1cccc(CC#N)c1)CCC2 171886170 UFWNQOQIWJAEPG-UHFFFAOYSA-N 290.366 3.654 30 20 CHED N#CCCCCNCc1ccc(F)cc1C(F)(F)F 178894376 ZMUAOXMKBOUOLV-UHFFFAOYSA-N 274.261 3.628 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2ccc(F)cc2)c1C 60370818 QRSNVQHHNPJSRR-MDZDMXLPSA-N 272.323 3.555 30 20 CHED C#CCN(Cc1ccn(C(C)C)n1)[C@@H]1CCc2ccccc21 172012134 RFJAQDBFXNMXBF-LJQANCHMSA-N 293.414 3.587 30 20 CHED C=CCN1CCC(N[C@@H]2CC(C)(C)c3ccccc32)CC1 177911068 HOTUBWNFQOUBSA-GOSISDBHSA-N 284.447 3.649 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 28437304 PZQFLVBWYXZSHQ-DLBZAZTESA-N 294.329 3.634 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)c1ccccn1 116592217 RTJMKCSPSDCZEA-GOEBONIOSA-N 278.355 3.760 30 20 CHED CC/C(=C\C(=O)N(C)C1(C#N)CCC1)c1ccc(C)cc1 172871650 FZBGNUUKZDEWMR-NTCAYCPXSA-N 282.387 3.693 30 20 CHED Cc1ccc(C)c(CSc2nccc(C#N)c2[N+](=O)[O-])c1 301650604 JNDVAEBHEOHMJP-UHFFFAOYSA-N 299.355 3.771 30 20 CHED N#Cc1ccc(F)c(CNc2ccnc3c(F)cccc23)c1 302719307 ZHLRBBNQVXWDIG-UHFFFAOYSA-N 295.292 3.997 30 20 CHED C=CC[C@H](C)NCc1ccc(CSC(F)F)o1 116927747 OMZKYAXUBFZJRV-VIFPVBQESA-N 261.337 3.790 30 20 CHED C[C@H](Nc1cccc2c1OCCO2)c1ccc(C#N)cc1 118443199 QFVGVIFPGKBTRB-LBPRGKRZSA-N 280.327 3.503 30 20 CHED C=CCCCSc1nnc(C2CC2)n1Cc1ccco1 117547722 NULNTLRTHCSARE-UHFFFAOYSA-N 289.404 3.855 30 20 CHED C=CCN(CC=C)C(=O)COc1ccc([C@H](C)CC)cc1 301149605 WNKIXTJOMCIJGW-OAHLLOKOSA-N 287.403 3.780 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1nc(C(C)C)cs1)C1CC1 177778194 VHOZDQSKWKGWAL-JXPAYYINSA-N 274.389 3.799 30 20 CHED C=CCC[C@H](NCC[C@@H]1CCCO1)c1ccccc1 178756418 GOYNSUZGIIHBBY-IRXDYDNUSA-N 259.393 3.853 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1Cl 176860417 QBSBLIYTGNCVBX-VIFPVBQESA-N 290.775 3.764 30 20 CHED C=C(C)CCOC(=O)/C=C/c1ccc2ccccc2n1 176490877 BNGLJXUACSBONN-MDZDMXLPSA-N 267.328 3.757 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 116973627 ZHKOQKXLTHNSRN-IUODEOHRSA-N 276.355 3.637 30 20 CHED CCCc1cc(NC[C@H](C)C#N)c2ccccc2n1 302030026 BMGWDZSNOFRZDQ-GFCCVEGCSA-N 253.349 3.759 30 20 CHED CC(C)(NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1 119923503 HVVPBAIOAVVHQU-UHFFFAOYSA-N 286.325 3.861 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC2CCCC2)c1 301714463 JJKGWRVFJIZRKI-UHFFFAOYSA-N 254.255 3.932 30 20 CHED C=CCCCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 177794520 COQVHJOLUZKPGW-UHFFFAOYSA-N 287.338 3.615 30 20 CHED C=C(Cl)CSc1nc2ccccc2c(=O)n1C1CC1 61414417 DXQOOFZYIXGZGF-UHFFFAOYSA-N 292.791 3.576 30 20 CHED C=CCN(Cc1nc(C)c(C)o1)CC1CCCCC1 69859956 DQEQGXJKGNNYOM-UHFFFAOYSA-N 262.397 3.860 30 20 CHED CCC[C@@H](C)C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 173915749 YTPPHODUAQWQND-RISCZKNCSA-N 296.370 3.804 30 20 CHED CSCCCN(C)c1cccc(Br)c1C#N 304234062 UQABDQWULWXKJR-UHFFFAOYSA-N 299.237 3.510 30 20 CHED COc1ccc([C@H]2CCCN2c2ccc(C#N)cc2)cc1 301078729 IPRMIKIMOYAOSQ-GOSISDBHSA-N 278.355 3.908 30 20 CHED CCn1cc(C(=O)/C=C/c2cccc3ccccc23)cn1 65999929 LYKSDGGLROSSNE-ZHACJKMWSA-N 276.339 3.952 30 20 CHED C[C@H](c1cccc(Br)c1)N1CCC(C#N)CC1 125000693 GSFSBCLNQQHIJQ-LLVKDONJSA-N 293.208 3.746 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1nc(C2CC2)cs1 189473468 LSHFBNBISRQJHA-AWEZNQCLSA-N 265.378 3.666 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1csc2ccccc12 122125864 NCKNNGXPPHSDPA-ZDUSSCGKSA-N 272.373 3.569 30 20 CHED Cc1[nH]c2c(C(=O)OCC3(C#N)CCC3)cccc2c1C 183880240 IRKZNTQNMBFGQB-UHFFFAOYSA-N 282.343 3.635 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(OC)cc2)cc1 32271158 OCJRMZSSQYAGCZ-MLPAPPSSSA-N 282.339 3.990 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1scnc1C)C2=O 78693818 AWCFLTHQCLJORY-WUXMJOGZSA-N 285.368 3.727 30 20 CHED CC1(C)CCC(C(=O)Nc2ccc(C#N)c(F)c2)CC1 362286584 LPYVNMGJFYNFML-UHFFFAOYSA-N 274.339 3.852 30 20 CHED CCc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1 75980625 HIFNXDOPRAADBP-UHFFFAOYSA-N 293.370 3.785 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2C[C@@H]2C)c1 76830850 HPLOKLPYUSWPCY-SUMWQHHRSA-N 295.407 3.919 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2cccc(C#N)c2C)c1 509537484 GJHWQHSQULIYOU-UHFFFAOYSA-N 278.355 3.760 30 20 CHED CCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 185783715 NWJVLDIKEJPENJ-JKSUJKDBSA-N 272.392 3.647 30 20 CHED C=CCN(C)C(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 413758970 PGOMOMKHLGORRW-DJIMGWMZSA-N 286.419 3.786 30 20 CHED Cc1ccc(CN(C)C(=O)/C=C\c2ccccc2C#N)cc1 213196381 BLBDCBBUDSROFK-QXMHVHEDSA-N 290.366 3.539 30 20 CHED C=C(C)CNC(=O)c1ccc(-c2ccccc2)s1 189425151 RFJQDXNNGRUEAE-UHFFFAOYSA-N 257.358 3.721 30 20 CHED COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 36991899 IUJIAHWLPOAMPE-KBPBESRZSA-N 280.371 3.979 30 20 CHED CCN(CC)Cc1cccc(OCc2ccccc2C#N)c1 505248856 HNWMRJCFQFGSMT-UHFFFAOYSA-N 294.398 3.979 30 20 CHED C=CCC[C@H](NC1CCC(COC)CC1)C1CC1 414317034 VGELGICSUVNJLL-BCLQGDPASA-N 251.414 3.526 30 20 CHED N#C[C@@H](NC(=O)CCCC1CCCC1)c1ccccc1F 79988369 SOMFACLBGJGFQN-MRXNPFEDSA-N 288.366 3.867 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2ccncc2)cc1C 216151302 OVXUJNVQZSACNC-SNAWJCMRSA-N 251.329 3.903 30 20 CHED C=C[C@@H](Cc1nc([C@@H](N)CC(C)C)no1)c1ccccc1 414616855 KLLDMPQQPUYIEX-ZFWWWQNUSA-N 285.391 3.628 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1ccc2c(c1)OCO2 48417701 XEZUVFYJTKRESR-GORDUTHDSA-N 288.249 3.590 30 20 CHED COC(=O)[C@H](C)c1cccc(NCC(C)(C)CCC#N)c1 414484351 GXZLLRSATWCUEB-CYBMUJFWSA-N 288.391 3.705 30 20 CHED C=C(C)[C@H](N[C@@H](C)C1CC1)c1ccc(F)c(F)c1 186446568 JOKXIZZNWCODNY-BONVTDFDSA-N 251.320 3.970 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cccc3ccn(C)c23)CCC1=O 329923075 GUDLHJFMEWMNQR-YPMHNXCESA-N 284.359 3.772 30 20 CHED C=CCOc1ccccc1CNCc1ccc(F)c(F)c1 49577456 MKNQKOHFZSOWOS-UHFFFAOYSA-N 289.325 3.819 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccc(Cl)nc1 88154476 CIEZXLKDZMUOCU-UHFFFAOYSA-N 272.735 3.803 30 20 CHED CN(CCCOc1ccc(F)cc1)Cc1cccc(C#N)c1 46518051 KAHWYBNORQBKMM-UHFFFAOYSA-N 298.361 3.598 30 20 CHED CCCn1c(C(=O)O[C@H](C#N)CC)cc2ccccc21 191588137 GFZKPTOSJJZZNM-ZDUSSCGKSA-N 270.332 3.510 30 20 CHED CCN(CC)[C@H](CNc1ccc(C#N)cc1)CC(C)C 507141568 BYJAZVLDNLTLQP-KRWDZBQOSA-N 273.424 3.727 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C)c1nc(C(C)(C)C)no1 191569383 ISFHRCIJCOGUGD-NWDGAFQWSA-N 265.401 3.763 30 20 CHED C[C@@H]1[C@@H](/N=C(/O)Cc2ccc3c[nH]nc3c2)CCC[C@H]1C 329504445 ZEJQLTFVCPXPAZ-XUJVJEKNSA-N 285.391 3.887 30 20 CHED Cc1ccnc(NCc2cccc(Cl)c2)c1C#N 135075489 HFTAWLQUZFNLSM-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C[C@H](Oc1cccc(F)c1F)c1ccc(C#N)cc1 194629063 XBVKDJXIAAWXDT-JTQLQIEISA-N 259.255 3.976 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 44809590 CVNAVISBBDZCAA-GFCCVEGCSA-N 276.339 3.746 30 20 CHED CCCCC1CCC(CNC(=O)N(C)C[C@@H](C)C#N)CC1 516687402 KDWIFVZRQZVREZ-FHERZECASA-N 293.455 3.784 30 20 CHED C[C@@H]1CC[C@@H](C(O)=Nc2cccc3c2C(O)=NC3)C1 329268633 ICMZXBJJTLIKIY-NXEZZACHSA-N 258.321 3.529 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[C@H](C)CC 426073623 BJXLKAPPXYTUFO-HZSPNIEDSA-N 252.402 3.561 30 20 CHED CC1CCC(C)(/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)CC1 328773787 BQXPMUOFKLTLNY-WVIDZAQPSA-N 266.385 3.667 30 20 CHED Cc1cc(C(=O)NCCCC#N)sc1-c1ccccc1 514612524 TUQVNOZZDKKUNZ-UHFFFAOYSA-N 284.384 3.757 30 20 CHED N#Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1 41526588 AXLLHPDFTFIOFG-UHFFFAOYSA-N 294.329 3.758 30 20 CHED C[C@]1(Cc2ccc(F)cc2)CCCN1c1ncccc1C#N 420612608 VKNXKAQJZFDIEI-GOSISDBHSA-N 295.361 3.694 30 20 CHED C[C@H](SCCc1ccccn1)c1cccc(C#N)c1 190875452 UUMAXVLOWXIAAG-ZDUSSCGKSA-N 268.385 3.990 30 20 CHED Cc1csc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 335075733 JFJQEOSALQPVNW-GFCCVEGCSA-N 284.384 3.761 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC1=CCCCC1 425131943 QGLYYCFPUOKVBS-AWEZNQCLSA-N 282.387 3.968 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CCCCC1 335083189 GWHQYFRWGHHOOR-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 424330409 QMZQRBJZEZSIQG-NTZNESFSSA-N 278.783 3.691 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 428657863 BVWVBMPERZAECE-SECBINFHSA-N 287.190 3.930 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccsc1 194614224 YVJVFPBXQWPXGH-HNQUOIGGSA-N 256.326 3.579 30 20 CHED Cc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ccc1F 237577250 WETYDQXFEQMXOV-CQSZACIVSA-N 298.361 3.715 30 20 CHED C=CCn1cccc1C(=O)N1CCc2cccc(F)c2[C@@H]1C 515196007 QOOTYBOOIQIQNI-ZDUSSCGKSA-N 298.361 3.573 30 20 CHED CCC1(CC)CCN(c2nccc(C#N)c2Cl)C1 232932550 FRMYAZMBTNGZTB-UHFFFAOYSA-N 263.772 3.623 30 20 CHED C=CCc1cc(CN2[C@@H](C)CC[C@H]2C)cc(OC)c1O 91937536 XKDGXHMIAHIUJP-BETUJISGSA-N 275.392 3.502 30 20 CHED N#Cc1cccc(NCCc2ccccc2C(F)(F)F)n1 339217207 NSVHQUIMFFIHMW-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=CCn1c(CC)nnc1N(C)C/C(C)=C/c1ccccc1 516585917 KCYYRJYZVVOQEP-FYWRMAATSA-N 296.418 3.566 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCCC(C)C 436298870 IARZBUXIZFXAEE-PMPSAXMXSA-N 253.430 3.772 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(F)c(C)c1 439518535 HCQPDCRVABGGKY-LLVKDONJSA-N 250.317 3.610 30 20 CHED CC[C@H](C)CNCc1ccc(OC)c(O[C@H](C#N)CC)c1 93075179 AAAKKAWXXFTSSP-ZFWWWQNUSA-N 290.407 3.512 30 20 CHED N#Cc1cc(F)ccc1NC(=O)NC1CCC2(CC1)CC2 333059983 SDCOAJQCCZOONI-UHFFFAOYSA-N 287.338 3.542 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[C@H]1CCC(C)C 435692066 NMKTYSSJYLDOGZ-XJKSGUPXSA-N 288.391 3.794 30 20 CHED CCCc1nc(CSCC2(C#N)CC2)cs1 344467027 QHWQIYKCVJOPOH-UHFFFAOYSA-N 252.408 3.633 30 20 CHED CCc1nc([C@@H](C)NCc2cccc(C#N)c2F)cs1 348316856 IVFXPNZLKCPAHZ-SNVBAGLBSA-N 289.379 3.567 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)[C@@H](C#N)CCc1ccccc1 433217356 AEPVQQODDDXGJL-GOEBONIOSA-N 296.370 3.572 30 20 CHED N#Cc1ccc(/C=C/c2nc3ccc(F)cc3s2)nc1 431577359 GYOAQYRRRZYFJH-GQCTYLIASA-N 281.315 3.872 30 20 CHED C=CCC(C)(C)c1noc(-c2ccn(-c3ccccc3)n2)n1 340794689 IBIUHZLDFLKIIY-UHFFFAOYSA-N 294.358 3.776 30 20 CHED N#Cc1nn(C[C@H]2CCc3ccccc3C2)c2ccccc12 432487005 AFLFUCCUZMHMRD-AWEZNQCLSA-N 287.366 3.713 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)CC(C)(C)C#N 346347815 BGCBQCWJXKRNDF-AWEZNQCLSA-N 272.392 3.754 30 20 CHED C=CC[C@H]1N(C(=O)NC2CCCC2)CCCC1(C)C 436105313 XGDTWENMQVUFBZ-CQSZACIVSA-N 264.413 3.705 30 20 CHED Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1 609159715 SBLAHUODHFOQOK-UHFFFAOYSA-N 289.338 3.726 30 20 CHED CCOc1cc2c(cc1NC[C@H](C)CCC#N)O[C@H](C)C2 602588510 NFYQFNLKBLVYAW-CHWSQXEVSA-N 288.391 3.760 30 20 CHED C[C@@H](/N=C\c1c(O)ccc2ccccc12)C(=O)OC(C)(C)C 255697887 GQINAICYVZCXKR-ZDFPAGSVSA-N 299.370 3.695 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC2(C)C)cc1OC 342204494 IIPHZDBIYXKWHH-MRXNPFEDSA-N 275.392 3.538 30 20 CHED C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 520489988 PZQXCTVMTFBKAL-LBPRGKRZSA-N 297.333 3.623 30 20 CHED N#Cc1ccc(COc2ccc(F)cc2)c(OC(F)F)c1 439544858 GZEHLWCKVIRELG-UHFFFAOYSA-N 293.244 3.878 30 20 CHED C=CCCCc1nc(Cc2ccc(C(F)(F)F)nc2)no1 528252993 XKXKSSHBDCXCIB-UHFFFAOYSA-N 297.280 3.583 30 20 CHED CC(C)C[C@@H](NC(=O)[C@H](C)C#N)c1ccc(Cl)cc1 346420756 ZVGMVRXHNQJHTJ-BXUZGUMPSA-N 278.783 3.703 30 20 CHED N#Cc1ccc(SCc2ccc(F)cc2F)nc1 341493210 WMAZDWJXQHUBRM-UHFFFAOYSA-N 262.284 3.524 30 20 CHED C[C@H](CCC#N)CNC[C@H]1CCC[C@H](C(F)(F)F)C1 602574365 ZIHXXLFHJBVNFC-AGIUHOORSA-N 276.346 3.885 30 20 CHED Cc1ncc(/C=C\C(=O)O[C@H](C)c2ccc(C#N)cc2)s1 255584997 GSSQBWALPPNGGZ-SKVAFPRGSA-N 298.367 3.641 30 20 CHED CCc1cnccc1[C@@H](C)NC1CCC(C)(C#N)CC1 449208423 SLNOSEJAJOZGBX-BZOOQXSSSA-N 271.408 3.767 30 20 CHED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCC1 356155167 QGNOTDVQEFFWKI-UHFFFAOYSA-N 270.376 3.502 30 20 CHED C=CCn1c(C)cc(C(=O)COc2ccc(C)cc2)c1C 255930603 GIBCSJIRVONWKA-UHFFFAOYSA-N 283.371 3.861 30 20 CHED C[C@@H](CCC#N)CNc1ccc(F)cc1OCC1CC1 602488354 UXJJWXCWXKPFSC-LBPRGKRZSA-N 276.355 3.966 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccncc2CC)CC1 356687530 YHXVEMXVJIYCIC-ZDUSSCGKSA-N 272.392 3.568 30 20 CHED CCCC1(CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 356432276 VKDFOFMIOPTHLN-MRXNPFEDSA-N 284.403 3.770 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN1CCCC(C)(C)[C@@H]1C#N 444720950 QMOBBIFNIAJJHX-OAGGEKHMSA-N 278.440 3.596 30 20 CHED Cc1ccc(-c2csc(NC(=O)[C@]3(C#N)C[C@@H]3C)n2)cc1 448938259 PXTISFHNMJAWTF-ZBEGNZNMSA-N 297.383 3.607 30 20 CHED N#Cc1cccc(CNCC2(Cc3ccc(F)cc3)CC2)c1 538875489 LDZVRXJPFZSSQY-UHFFFAOYSA-N 294.373 3.810 30 20 CHED COCCOc1cccc(CNc2cc(C)cc(C#N)c2)c1 449757940 FGLKZJLJYRVVTK-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C[C@H](NCCCCC#N)c1cc2cccc(F)c2o1 355744501 FQARPXUIKNWLIA-NSHDSACASA-N 260.312 3.916 30 20 CHED C=CCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CC1 357943678 GGUGDARIAOTQIW-UHFFFAOYSA-N 294.398 3.837 30 20 CHED C=CC[C@H](CO)CN[C@H](CCC)C1CCCCC1 537095284 RVTXZYOAJWKIQB-GOEBONIOSA-N 253.430 3.510 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1F)c1nc(C2CC2)no1 356060197 PDPCUESXQOBASP-MRVPVSSYSA-N 289.335 3.811 30 20 CHED C=CCN(C(=O)c1ccc(C2=CCCC2)cc1)[C@H](C)COC 617584004 VALASCPOCBHNPY-OAHLLOKOSA-N 299.414 3.917 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(F)c(F)c1 539387320 GGIJHOPMBHXSJJ-LLVKDONJSA-N 282.334 3.509 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(C#N)cc1 265438803 YHHOCIBKOXCECL-INWMFGNUSA-N 283.375 3.743 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 613038654 HZJIFMWYOIYXPC-MNOVXSKESA-N 298.308 3.617 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1cnn(C(C)C)c1 354857144 FTHDPBMGGGGZID-UHFFFAOYSA-N 298.390 3.735 30 20 CHED Cc1cc(CN[C@H](C)Cc2ccccc2C)ccc1C#N 443976188 CGUNGIYMMHFLHH-MRXNPFEDSA-N 278.399 3.896 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC 539428441 JLMOIOKQBIEFKL-RDJZCZTQSA-N 288.435 3.540 30 20 CHED C=C(C)CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 351723205 YFFOMGNUNGWMQA-UHFFFAOYSA-N 285.387 3.513 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1nccs1 269921243 AGZFBSUHMYMHNF-UHFFFAOYSA-N 283.441 3.645 30 20 CHED Cc1cccc2c(N3CCCC4(CC4)C3)c(C#N)cnc12 613705205 OCHAIVNSSNCQBQ-UHFFFAOYSA-N 277.371 3.795 30 20 CHED CCCn1ncc(NCc2ccc(C#N)cc2F)c1C1CC1 449414396 KPKZVKPXLCLSNK-UHFFFAOYSA-N 298.365 3.793 30 20 CHED CC#CCN[C@@H](C)c1ccc(OCCCC)c(OC)c1 539269893 MGMWHZZPWZIQTF-AWEZNQCLSA-N 275.392 3.548 30 20 CHED C=C[C@H](CC(=O)NCC(C1CC1)C1CC1)c1ccccc1 533956381 ICZMOBYYWHBOHZ-CQSZACIVSA-N 283.415 3.899 30 20 CHED N#Cc1ccc(N2CCC(CF)CC2)c(C(F)(F)F)c1 450686623 NHSFWODWWAFITN-UHFFFAOYSA-N 286.272 3.763 30 20 CHED C=CCCNC(=O)CSc1ccc(C(C)C)cc1 617614687 KEKAWEPKCAADFC-UHFFFAOYSA-N 263.406 3.594 30 20 CHED C=C(C)CCc1noc([C@H]2CCN(c3ccccc3)C2)n1 453186294 UBKAPNMTPVNCOI-AWEZNQCLSA-N 283.375 3.572 30 20 CHED C=CCC1(C(=O)N[C@H](C2CC2)C(F)(F)F)CCCCC1 452115387 BHEOMRDWDPFGQS-GFCCVEGCSA-N 289.341 3.970 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 452780433 XPYVOPYQUIDSDT-KGLIPLIRSA-N 277.795 3.772 30 20 CHED CC(C)(C#N)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 456786472 XHTLXBAODUUURT-JKSUJKDBSA-N 284.403 3.626 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ccccc2C1 618803412 WVWMXGBXFRBTEU-UYAOXDASSA-N 288.394 3.693 30 20 CHED C=C(CC)CSc1nnc(C)n1CCc1cccs1 536905466 PFAFPPMMOGYMDH-UHFFFAOYSA-N 293.461 3.949 30 20 CHED C=CCN(Cc1cccs1)Cc1cn(C)nc1C(F)F 361181419 MFANHYYAPDPDMK-UHFFFAOYSA-N 297.374 3.607 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@@H]1CC)c1ccccc1 536192151 OTNGUAXOMAAPJE-HOCLYGCPSA-N 257.377 3.747 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1cccs1)C1CC1 458982353 AOLGIKQIOJZNAL-UHFFFAOYSA-N 278.421 3.634 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC(c2ccccc2)CC1 459255253 GOOVYQXWECYVBW-UHFFFAOYSA-N 299.418 3.515 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 456846703 UYHQSYLJMCUULL-DZGCQCFKSA-N 288.366 3.530 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 610539399 NUDZXLKURURMPK-QWHCGFSZSA-N 295.342 3.878 30 20 CHED CN(CCC#N)C(=O)CCCc1ccc2ccccc2c1 271693875 AAHKCNXUADDLAW-UHFFFAOYSA-N 280.371 3.535 30 20 CHED Cc1ccccc1-n1ccnc1SCC1(C#N)CCC1 450721791 YABLMPOWAFCGJG-UHFFFAOYSA-N 283.400 3.967 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1CCCC1(F)F)c1ccccc1 452813831 PYEISHQKDZSLMS-ZFWWWQNUSA-N 293.357 3.898 30 20 CHED C=CCN(C(=O)c1csc(-c2cccs2)n1)C1CC1 271603793 YTMPEPRMNXMEBW-UHFFFAOYSA-N 290.413 3.662 30 20 CHED C=CCCC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 279601022 PJBZTIRLGOMRLP-KBPBESRZSA-N 270.376 3.580 30 20 CHED C=CC[C@@H]1N(Cc2c(C)noc2C)CCCC1(C)C 361339309 ZYUALUTUNBLNNQ-HNNXBMFYSA-N 262.397 3.858 30 20 CHED C=CCCC[C@H](C)NC(=O)N1[C@@H](CC)CC[C@H]1C 540569085 PVAACQACAKQIEQ-MJBXVCDLSA-N 252.402 3.704 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(-c2ccc(F)cc2)o1 271128760 MZIGCMTYRHSJDN-LBPRGKRZSA-N 272.323 3.677 30 20 CHED CCC[C@H](NCCCC1(C#N)CCOCC1)C(C)(C)C 451443579 ZQXHJCUGRWTPAD-HNNXBMFYSA-N 280.456 3.891 30 20 CHED N#CCc1ccccc1NC(=O)c1coc2ccccc12 361012723 HFBHWPRCGMMCSC-UHFFFAOYSA-N 276.295 3.751 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 277001746 ZHLZKZGHVAPHFF-SJKOYZFVSA-N 291.366 3.506 30 20 CHED C=C[C@H](CC(=O)N(C)CCCOC(C)C)c1ccccc1 270339451 PWTBCRKWFWBSQW-MRXNPFEDSA-N 289.419 3.620 30 20 CHED CC(C)(C#N)CCN[C@]1(C)CCCc2ccccc21 540906431 MJTOPZJOXOXOJJ-QGZVFWFLSA-N 256.393 3.768 30 20 CHED CC(C)C(CNC(=O)C1(c2cccc(C#N)c2)CC1)C(C)C 469868511 DADCBJNNXDTNQJ-UHFFFAOYSA-N 298.430 3.634 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)C1 547408164 VARYEIWNBOHWRL-VOLNDZDFSA-N 296.414 3.721 30 20 CHED C=C[C@H](C)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 465142912 BEZZXIMIIJHDOV-ZETCQYMHSA-N 283.158 3.779 30 20 CHED C=CCN(C(=O)c1cnc(-c2ccccc2)nc1)C(C)(C)C 622943907 WLUQZHPWOANMTN-UHFFFAOYSA-N 295.386 3.570 30 20 CHED C=CCC[C@@H](N[C@@H](CCO)c1ccco1)c1ccco1 285494538 ANZLMDOXXUHDBH-KGLIPLIRSA-N 275.348 3.593 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1c[nH]c2c(C)cccc12 281008772 FBVZQKBNUHZNKN-HNNXBMFYSA-N 284.403 3.880 30 20 CHED C[C@H](C[S@@](=O)CCCC(C)(C)C#N)c1ccccc1 280061195 STEOIKLHSDHCQQ-KUHUBIRLSA-N 277.433 3.869 30 20 CHED CC(C)Oc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 554075276 VXWPORNSNLKHFD-AWEZNQCLSA-N 295.386 3.591 30 20 CHED Cc1cccc(OCCN(C)Cc2ccc(F)c(C#N)c2)c1 468276150 HGKANJPLMDLCAX-UHFFFAOYSA-N 298.361 3.517 30 20 CHED CCCn1c(-c2ccc(C#N)o2)nc2cc(C)ccc21 463919310 GWUSDBLOHJFJLK-UHFFFAOYSA-N 265.316 3.886 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC[C@H](c2ccccc2)C1 376996228 VIBXIYYFERWLBM-INIZCTEOSA-N 299.418 3.515 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCCCCC1 460380385 MWYFVFGEFKBRQZ-UHFFFAOYSA-N 296.418 3.902 30 20 CHED Cc1oc(C(C)C)cc1C(=O)NCC1CCC(C#N)CC1 287172247 SFGWVPWKMAYYHN-UHFFFAOYSA-N 288.391 3.771 30 20 CHED C=C(C)[C@H](CC(=O)N([C@@H](C)CC)[C@H](C)CC)OCC 467210079 BLDWSXKUHFEUBL-ZNMIVQPWSA-N 269.429 3.783 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F 466655545 RVLGLZANZSDGRK-LBPRGKRZSA-N 292.345 3.715 30 20 CHED C=CCC[C@H](NCCc1ccc(F)cc1F)C1CC1 555907126 RBAHNIKAVBDAOW-INIZCTEOSA-N 265.347 3.842 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(F)ccc1C 281154165 BCXXAUMMGMCKKV-GFCCVEGCSA-N 250.317 3.610 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(F)c(F)c1 464156704 HFBFUOISKHGYHH-QLJPJBMISA-N 294.345 3.513 30 20 CHED C[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1 282489100 IYJGYYUWFQDNJK-FZMZJTMJSA-N 292.329 3.561 30 20 CHED C=CC[C@H]1N(C(=O)CC[C@@H]2CCCCO2)CCCC1(C)C 470296190 HYXIKYVQFCFOGN-JKSUJKDBSA-N 293.451 3.929 30 20 CHED C=CCOCCCN1CCC[C@@H]1/C=C\c1ccccc1 470777363 UXINCCHXZVZJJM-YUIUBULTSA-N 271.404 3.757 30 20 CHED C=CCCCCN[C@@H]1CCN([C@H](C)c2ccccc2)C1 471598641 LJRLXBPXBZQSAF-SJLPKXTDSA-N 272.436 3.768 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)c1cccc(C)c1 559972705 WXJDAWRKAJFLGM-AWEZNQCLSA-N 259.393 3.817 30 20 CHED C#CCCCCCC(=O)Oc1cc(F)ccc1Cl 801038862 VQNKZMNWKVKEES-UHFFFAOYSA-N 268.715 3.968 30 20 CHED C[C@H]1/C(=C/c2ccc(F)nc2)C(=O)c2ccccc21 809157887 WNKIVJTYICUEGS-DOQDJBIESA-N 253.276 3.604 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2cn(C(C)C)nn2)cc1 807964308 DIWGHFFJQWMNAA-AWEZNQCLSA-N 299.422 3.667 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(NC(=O)CC)ccc1Cl 294536842 MKZBWRJNFBIMBT-UHFFFAOYSA-N 294.782 3.839 30 20 CHED C=CCCCCCCNC(=O)c1cc(=O)c2ccccc2o1 805221231 MWFGHTARZKGWLM-UHFFFAOYSA-N 299.370 3.659 30 20 CHED C=C(CC)CNC(=O)Nc1c(F)cccc1Cl 564929415 ORSROEOVOQVRNG-UHFFFAOYSA-N 256.708 3.567 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCc2cccc(O)c21 297154167 BBNTYYMWUVUHMJ-INIZCTEOSA-N 295.382 3.734 30 20 CHED CC(C)Sc1ccc([C@H](C)NCCO[C@@H](C)C#N)cc1 801937500 OQTPZPOGPXEBGD-KBPBESRZSA-N 292.448 3.766 30 20 CHED C#Cc1ccc(CN(Cc2ccc(O)cc2)CC2CC2)cc1 809738572 ZJSMNAGQPPVWFV-UHFFFAOYSA-N 291.394 3.786 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(C2CC2)c1 294457647 WAQOKMXEYYBBPB-AHIWAGSCSA-N 254.377 3.907 30 20 CHED C=C(C)CN(C)C(=O)[C@H](SCc1ccccc1)C(C)C 479322197 XECVNCGNYQGFFT-MRXNPFEDSA-N 291.460 3.979 30 20 CHED Cc1ccccc1C1CCN(Cc2ccc(C#N)cn2)CC1 563894161 HGXYBGGVKWQSBO-UHFFFAOYSA-N 291.398 3.641 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](OC)[C@@H](C)CC)c1 475612320 NVHRILRQZYJSHZ-XJKSGUPXSA-N 291.391 3.641 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)c1cccs1 568301319 BGZYGOWHBVMHSY-MLGOLLRUSA-N 290.432 3.830 30 20 CHED CC(C)c1cnc(C=NNc2ncccc2Cl)s1 814810248 DZMUICIIOQXIGR-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C=C[C@H](C)NC(=O)c1cc2ccccc2n1CC(F)(F)F 486188105 DIQJAABEBCUVFB-JTQLQIEISA-N 296.292 3.508 30 20 CHED COc1cc(F)cc(NN=Cc2ccsc2C)c1 814870833 TVGJSGFBSONLJC-UHFFFAOYSA-N 264.325 3.650 30 20 CHED N#CCC[C@H](C#N)CNC(C1CCCC1)C1CCCC1 819079664 BGHADORZUJNBBK-CQSZACIVSA-N 273.424 3.769 30 20 CHED CCC(=NNc1nnc(-c2ccccc2)s1)C1CC1 814949086 SSGPZYXKQSFBDT-UHFFFAOYSA-N 272.377 3.793 30 20 CHED CCC/C=C\C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813216379 QFIUMEHYPWMZGG-DOGVGXBMSA-N 282.265 3.633 30 20 CHED CN(Cc1ccccc1F)Cc1ccc(Cl)cc1C#N 480500518 LAZUOXPYFRZYGH-UHFFFAOYSA-N 288.753 3.983 30 20 CHED Fc1ccc(Br)c(C=NOC/C=C\Cl)c1 811668145 LBXMSJJWLSIWIB-YHHAPTPFSA-N 292.535 3.691 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 487917169 RDHCKVCRFMCTSL-CQSZACIVSA-N 280.799 3.865 30 20 CHED CC#CCN(C)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 576855873 LMKZVLHBWGLYNY-LBPRGKRZSA-N 297.320 3.681 30 20 CHED Cc1ccc2nc([C@@H]3CCCN3CCCCC#N)[nH]c2c1 576983007 GECYLGDZUSAMIV-INIZCTEOSA-N 282.391 3.702 30 20 CHED C[C@@H]1CCC[C@H](CNCc2cc(C#N)cs2)[C@@H]1C 481823873 LCTZVFCBQJDWMR-YRGRVCCFSA-N 262.422 3.782 30 20 CHED C=C(C)CNC(=O)N[C@H](CCCC)c1ccc(OC)cc1 488542654 IIWYTZANVHXKET-MRXNPFEDSA-N 290.407 3.802 30 20 CHED C[C@H](C(=O)OC1(CC#N)CCC1)c1cn(C)c2ccccc12 810854130 LRSOVKQGKSIBHX-ZDUSSCGKSA-N 296.370 3.661 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1cc(F)ccc1O 814945077 JYHJSEIOZODBNH-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C#CCC1(C(=O)NCCc2ccc(C=C)cc2)CCCCC1 812593456 PTCCRNOZXVOQKM-UHFFFAOYSA-N 295.426 3.962 30 20 CHED FC(F)(F)CC(=NOCC1CC1)c1ccccc1 814241336 JEDYAYLVANZNQY-UHFFFAOYSA-N 257.255 3.770 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@@H]1CC 570730676 DUFPZJXQKUENMJ-MCIONIFRSA-N 276.428 3.602 30 20 CHED CC1(C)CC(=NNCCC(F)(F)F)c2sccc2O1 814920285 IIKBVXDAKOKEBI-UHFFFAOYSA-N 292.326 3.555 30 20 CHED C=CCCn1cc(CN[C@H]2CCC[C@@H]2CCC(C)C)nn1 653634063 JEWXDHMQZBLWKQ-WBVHZDCISA-N 290.455 3.549 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cccc3cccnc23)cc1 818195935 FEWUHRDFIINGNX-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C=CCCCC(=O)N1CCCC[C@H]1Cc1ccccc1 480873906 XGSDEBYDDXXQHI-KRWDZBQOSA-N 271.404 3.967 30 20 CHED C=CC[C@H](C)NC(=O)Cc1ccc(C(C)(C)C)cc1 482201768 XIEDAKBOFMALIJ-ZDUSSCGKSA-N 259.393 3.607 30 20 CHED O=[N+]([O-])c1cc(NN=C2CC[C@@H]2C2CCC2)ccc1F 814905198 RPKIVYKIASOMTK-LLVKDONJSA-N 277.299 3.712 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 488569103 SIHARGKOVUZIDC-BYCMXARLSA-N 292.810 3.912 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H](CC)OCC)c1ccc(F)c(F)c1 574858038 XINRSLHGRLCBAS-LSDHHAIUSA-N 297.345 3.513 30 20 CHED Cc1cc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)oc1C 570812158 LZEFYBBHNVOYPE-MRXNPFEDSA-N 294.354 3.576 30 20 CHED Nc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cn1 821021575 IQCDCEKZFSEADI-UITAMQMPSA-N 274.323 3.713 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC[C@@H]1CC)c1ccccc1 499196048 VGGPZLXMQBLVLC-GOEBONIOSA-N 272.392 3.578 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1cc(C)nn1CCC#N 577348625 NFLZVLFIJKQNIC-CQSZACIVSA-N 290.411 3.506 30 20 CHED COc1ccccc1[C@@H](CC(C)C)NC(=O)C#CC(C)C 829477798 RCNFPKMEILUQOR-MRXNPFEDSA-N 287.403 3.558 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc3c(c2)[C@@H](O)CCCC3)C1 827024926 FKURODMXIYTWCD-MRRJBJDNSA-N 270.376 3.551 30 20 CHED Cc1cc(F)cc2c(N3CCC[C@@H]4C[C@H]43)c(C#N)cnc12 588066176 IRHYSSSCRBGHGS-IAQYHMDHSA-N 281.334 3.543 30 20 CHED C=CCCCCCCNC1C[C@@H]2CC[C@H](C1)N2C1CC1 903172506 ZMTYVRGGCVJUKZ-ZNXRZULTSA-N 276.468 3.870 30 20 CHED C=CCN(C)C(=O)CC1CCC(C(C)(C)C)CC1 490042889 JNBRJTXWHDHCPK-UHFFFAOYSA-N 251.414 3.873 30 20 CHED CCC/C(C)=C/C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 735793757 YCNXNLWBWKNEEN-STRFDMGBSA-N 281.359 3.794 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1 821021618 JLUVXODBKNPXAP-DHZHZOJOSA-N 283.346 3.783 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C/C(=C/C)CC 492159268 OABCYZDGMGFBBU-QJDUYPNCSA-N 294.398 3.985 30 20 CHED O=C(/C=C/c1ccc2oc(=O)oc2c1)C1CCCCC1 901446749 VHFWZVKQCPMZDL-SOFGYWHQSA-N 272.300 3.549 30 20 CHED C=CCNC(=O)Nc1ncc(-c2ccc(C)cc2C)s1 583603056 JEVGKBVGVYRGBR-UHFFFAOYSA-N 287.388 3.734 30 20 CHED N#Cc1cc2c(nc1NC(=O)/C=C\C1CCCC1)CCCC2 493129228 VBNLCBMEILOYNW-KTKRTIGZSA-N 295.386 3.517 30 20 CHED Oc1ccc2ccccc2c1/C=N\[C@@H]1CCO[C@H](C2CC2)C1 588467487 MIYOPCPGLSQXPJ-MHGUWOPYSA-N 295.382 3.922 30 20 CHED CCC(CC)NN=C(C)c1nc2ccccc2n1C(F)F 734366310 MQOOQEYJJAORTH-UHFFFAOYSA-N 294.349 3.934 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCCCCC#N 494619136 UIIOEZJHDQMILD-UONOGXRCSA-N 279.428 3.536 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(F)cc1Cl 901320871 SEHBHGYATSYVCS-JTQLQIEISA-N 270.735 3.694 30 20 CHED O=C(O)c1ccc(C=NNc2cc(Cl)ccc2Cl)o1 833312134 KFEPXPXPFYRTDR-UHFFFAOYSA-N 299.113 3.731 30 20 CHED C=CCCCCCN(C)Cc1cccc2c1OCCO2 739931593 TYGLAEAEDJKBIX-UHFFFAOYSA-N 275.392 3.636 30 20 CHED CC(C)[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccccn1 733689595 BFTORFKUDDKLDM-QGZVFWFLSA-N 294.354 3.702 30 20 CHED C/C(=C/c1ccc(Cl)cc1)C(=O)NCC(C)(C)CC#N 837887547 FXRUDTKCHZEJAD-BENRWUELSA-N 290.794 3.799 30 20 CHED CC(=NNc1cccc2c1CCCC2)[C@H]1C[C@H]2CC[C@H]1O2 834942590 PGUAONCUANRKCM-QGPMSJSTSA-N 284.403 3.921 30 20 CHED C=CC(C)(C)COC(=O)[C@@H](c1cccnc1)C(C)C 835721460 KIAHILFNADAKPD-CQSZACIVSA-N 261.365 3.577 30 20 CHED CC1(C)C[C@@H](NCC2(C#N)CC2)c2ccccc2S1 903109887 WVUZFPULIFZJFT-CYBMUJFWSA-N 272.417 3.895 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C1CC2(CCC2)C1 582728642 YDCYLNXWDHCXOX-UHFFFAOYSA-N 276.424 3.745 30 20 CHED COc1ccc(O)c(C=Nc2cc(C)c(O)c(C)c2C)c1 588507118 ZSGINCVAASJWRW-UHFFFAOYSA-N 285.343 3.782 30 20 CHED CC(=NNc1cccc(Br)n1)C1CCCC1 835024344 OHTFOXNBGDEIFR-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CC(=NNc1nccnc1Cl)[C@@H]1CCCC[C@H]1C 834958266 JQVNBTIQTBGWDA-MWLCHTKSSA-N 266.776 3.744 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc(C)c1F 839051321 DIZMPRRSFYRNQF-JSGCOSHPSA-N 275.323 3.682 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNc1ccnc(N(C)C)n1 739413983 RWQKVSNDKWSUJY-ZDUSSCGKSA-N 289.427 3.547 30 20 CHED CC[C@@H](N[C@@H](COC)c1ccccc1)c1cccc(C#N)c1 902867294 ZHKQPZPWPLBDMO-MOPGFXCFSA-N 294.398 3.987 30 20 CHED COc1cc(C=NOCCOC(C)C)cc2ccccc12 834978823 IZPABEIHVDDWSP-UHFFFAOYSA-N 287.359 3.624 30 20 CHED CC(=NNc1ccc(F)c(F)c1)C1CCSCC1 901316742 AVFPDGMUMOTIAL-UHFFFAOYSA-N 270.348 3.896 30 20 CHED CC(C)(C)C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 832727848 ZJRCJXNCXBWIDE-INIZCTEOSA-N 286.419 3.847 30 20 CHED O=C(C#CC1CC1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 837542604 MQUKLZDFFUUHIW-GUDVDZBRSA-N 293.410 3.585 30 20 CHED C=CCc1ccccc1OCc1cc([N+](=O)[O-])ccc1OC 915667360 QOTQMTDXMAFYPH-UHFFFAOYSA-N 299.326 3.911 30 20 CHED Cc1ccc(C=NN[C@H](C)C(F)(F)F)cc1Cl 834997925 NETSYKVLDNVZQG-MRVPVSSYSA-N 264.678 3.523 30 20 CHED CC(C)(C)n1cc(CSCC2(C#N)CCC2)cn1 596367921 FEVUBENUNFNKON-UHFFFAOYSA-N 263.410 3.565 30 20 CHED C[C@H](C#N)COC(=O)C1=C(c2ccccc2)CCCC1 835238104 IZEWXPOCHRJTPM-CYBMUJFWSA-N 269.344 3.717 30 20 CHED N#Cc1ccc(CCN2CC[C@@H](c3ccccc3)C2)cc1 595297431 TXIUALJMAAFVQM-LJQANCHMSA-N 276.383 3.590 30 20 CHED CCCCCCCC(=O)NC[C@@H]1Cc2ccccc21 918136590 PRIABSVVESFXMP-HNNXBMFYSA-N 259.393 3.803 30 20 CHED C[C@H](C=NNc1ccccc1[N+](=O)[O-])c1ccccc1 916249934 FMJBPNKVHQFLAW-GFCCVEGCSA-N 269.304 3.796 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ncnc2ccsc12 747764176 VFFQQMFRPLMHIB-SNVBAGLBSA-N 274.393 3.915 30 20 CHED CC(C)CCOc1ccccc1NC(=O)N[C@H](C)CC#N 594148295 UDJPHIAPMFZXQN-CYBMUJFWSA-N 289.379 3.535 30 20 CHED Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1C1CC1 915915678 XEAVMUMIVFUCPI-UHFFFAOYSA-N 293.374 3.762 30 20 CHED COc1ccc(C=NNc2ccc(Cl)nc2)c(Cl)c1 743449872 GWJWNHXMVAQSIL-UHFFFAOYSA-N 296.157 3.843 30 20 CHED CC[C@H](C#N)C(=O)N(CC)[C@H](CC)c1ccccc1 593427518 MXRTYLUWIZKYSK-UKRRQHHQSA-N 258.365 3.536 30 20 CHED C#CCOC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 919297892 SCKLQQNNXVAOSR-UHFFFAOYSA-N 297.059 3.802 30 20 CHED C=CCCCC(=O)OCc1ccccc1OC(C)C 748234290 PRBXDFMZWWWCRB-UHFFFAOYSA-N 262.349 3.873 30 20 CHED C=CCn1c(=S)n(CN2C3CCC2CC3)c2ccccc21 914566048 OXNPETKPNZXDKB-UHFFFAOYSA-N 299.443 3.943 30 20 CHED C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)C[C@@H](C)C1 596173007 OKEAFXQRKFNHMU-BDAKNGLRSA-N 269.801 3.541 30 20 CHED N#Cc1cccc(COC(=O)CCc2ccccc2Cl)c1 849208713 MZYGNBVINQLGLG-UHFFFAOYSA-N 299.757 3.888 30 20 CHED Oc1cccc(C=NNCc2ccc(C(F)(F)F)cc2)c1 915972783 UMZIVYKKLOPMDS-UHFFFAOYSA-N 294.276 3.535 30 20 CHED Cc1ccccc1OCCN(C)[C@H](C#N)c1ccccc1 595285463 ZXJGADWJDRXSGK-QGZVFWFLSA-N 280.371 3.571 30 20 CHED CC(C)(C)[C@@H]1CCCC(=NNc2cccnn2)CC1 746576658 PZTXKCIAVFZTML-GFCCVEGCSA-N 260.385 3.871 30 20 CHED C=C[C@@H](C)ON=C1CCC(O)(c2cccc(F)c2)CC1 844622157 VOBCZRTYZGTJJQ-ZGTOLYCTSA-N 277.339 3.534 30 20 CHED C=C(C)CONC(=O)N(CC)C[C@H](CC)c1ccccc1 845605322 KCINTXIELGIOOF-HNNXBMFYSA-N 290.407 3.719 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(F)c(F)c1 915963368 ZZMAVINIULJXGH-UHFFFAOYSA-N 271.270 3.673 30 20 CHED CC#CCCNC(=O)Nc1cc(C(C)(C)C)ccc1OC 680439952 LLMYSVHHJLZDIW-UHFFFAOYSA-N 288.391 3.528 30 20 CHED N#CCC1(CNc2c(C#N)cnc3c(Cl)cccc23)CC1 591937550 XCLQSNRHEVNJGN-UHFFFAOYSA-N 296.761 3.866 30 20 CHED O=C1CCc2cc(C(=O)/C=C\c3ccccc3F)ccc2N1 915993150 KTMDIUVECSUCJJ-TWGQIWQCSA-N 295.313 3.607 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C(=O)C#Cc1ccccc1 747388902 IPEMSOYUCUMIDX-HXUWFJFHSA-N 291.394 3.894 30 20 CHED C[C@H](C=NNc1ccccn1)CCc1ccccc1 749156754 NJASKZOAHMMCAZ-AWEZNQCLSA-N 253.349 3.748 30 20 CHED C=CCCOC(=O)c1ccc(N(C)c2ccccc2)nc1 740218190 PBPZYDCRNJYUDX-UHFFFAOYSA-N 282.343 3.582 30 20 CHED N#Cc1ccc(F)c(CNCc2coc3ccccc23)c1 746731994 VYTKEFLDNJXATF-UHFFFAOYSA-N 280.302 3.733 30 20 CHED Cc1ccc(C[C@H](C#N)SCc2cccnc2)cc1 592353859 LYRWVFZHOBJIDH-MRXNPFEDSA-N 268.385 3.758 30 20 CHED Cc1cc(C)nc(NN=C2CC(C)(C)c3ccccc32)n1 920358743 AFVNMWMUCYWRMP-UHFFFAOYSA-N 280.375 3.591 30 20 CHED C#C[C@H](NC(=O)C1(c2cccc(C)c2)CC1)c1ccccc1 843638246 JNPANSPVEKMKMR-SFHVURJKSA-N 289.378 3.517 30 20 CHED C#CCOc1cccc(NC(=O)[C@@H](C)c2cccc(F)c2)c1 741924300 FHXTULLNKHFBCO-ZDUSSCGKSA-N 297.329 3.580 30 20 CHED CC(C)(C)c1nc(C=NNc2ccccc2)cs1 920356586 NCIHNCRYYRRZFG-UHFFFAOYSA-N 259.378 3.887 30 20 CHED C#CC[C@H](NCc1ccccc1OC)c1ccccc1 756995775 JYIXEEGNPNEIKB-KRWDZBQOSA-N 265.356 3.549 30 20 CHED Cc1ccc(C(=O)OCc2cc(F)ccc2C#N)cc1F 759348755 BJODUSUTVBXWLM-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#CC1CCC(=NNc2cccc3cnccc23)CC1 853302242 HMIAJJPCQFCHTC-UHFFFAOYSA-N 263.344 3.826 30 20 CHED COc1cccc(/C=N\CCc2ccc(F)cc2C)c1O 755032474 TXJODCUQHNAWOJ-ODLFYWEKSA-N 287.334 3.510 30 20 CHED C=C[C@@H](OC(=O)[C@@H](C)CCCOC)c1ccccc1 851451193 FFKOHBUOOFRPKA-DZGCQCFKSA-N 262.349 3.520 30 20 CHED C=C(C)CN(C)C(=O)CCCc1ccccc1Cl 685817706 ARVRTHAIUAECCY-UHFFFAOYSA-N 265.784 3.697 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@]2(CCN(C)C2)C1 854736751 IFXABQJQXMKSRY-SFHVURJKSA-N 294.483 3.681 30 20 CHED Clc1cccc2c1CCCC2=NOCc1cccnc1 758129248 OAMAIXAJTQKFFD-UHFFFAOYSA-N 286.762 3.992 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1cc(F)ccc1O 757468650 UORYXVWCBQTGEC-GQCTYLIASA-N 260.239 3.567 30 20 CHED CC(=O)Cc1ccc(OC(=O)CC2(C#N)CCCCC2)cc1 851048372 BZXRJNHDNSNLBP-UHFFFAOYSA-N 299.370 3.588 30 20 CHED CCCCCC[C@@H](C)C(=O)N1CCC[C@H](CC#N)C1 855254914 RZNWAPIGMXQLGU-HUUCEWRRSA-N 264.413 3.745 30 20 CHED Cc1ccc(C#N)cc1NCc1ncc(C(C)C)o1 754303011 ZODMCZVCQZFLGU-UHFFFAOYSA-N 255.321 3.590 30 20 CHED CCOc1cccc(/C=C\C(=O)c2cc(OC)ccc2O)c1 757468981 XLDGFJLDTXEDHD-CLFYSBASSA-N 298.338 3.696 30 20 CHED N#CCC1(CSCCOc2cccc(F)c2)CC1 853764255 FXRISTUHVIWOEL-UHFFFAOYSA-N 265.353 3.632 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)/C=C3\CC[C@@H](C)C3)[nH]c12 753811368 ULSHXUQQXMGVMM-FGEHYREYSA-N 293.370 3.794 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2cnccc2c1 851206778 WTPLLIJKWRKIBE-GFCCVEGCSA-N 282.343 3.720 30 20 CHED CCNc1ccc(C#N)cc1NCc1cccc(C)c1 753133324 OWWDRJLZXRRBJE-UHFFFAOYSA-N 265.360 3.911 30 20 CHED CCCCCCCC(=O)N1CCC([C@H]2CCCNC2)CC1 850721940 WODJVIPCPOOWCO-KRWDZBQOSA-N 294.483 3.585 30 20 CHED CCCCC[C@H](NC[C@H](O)CC(C)(C)C#N)C(C)(C)C 856733937 JVCWYXAFEFXVMX-CABCVRRESA-N 282.472 3.872 30 20 CHED C#CCCCC(=O)N(CC(C)(C)C)c1ccccc1 759214172 JPORIDJFJJEBJO-UHFFFAOYSA-N 257.377 3.869 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 758677927 AYQCOVAXQZEJOJ-HNNXBMFYSA-N 298.430 3.729 30 20 CHED N#Cc1ccc(CC(=O)OCc2ccc(Cl)s2)cc1 750259785 PDIAWOVLQWMVRF-UHFFFAOYSA-N 291.759 3.559 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)ccc2F)cc1 753690914 HCCGPHFJDQSNCI-UHFFFAOYSA-N 293.685 3.833 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cc(O)cc(O)c2)cc1C 753716570 JVVJYWPWNSFRFG-SNAWJCMRSA-N 282.339 3.919 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)c2cc(C#N)ccc2C)c1C 935622023 IORIYUYTTGWVHZ-GFCCVEGCSA-N 296.374 3.595 30 20 CHED CC(=NNC1CCCC1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 761257927 CTTMPPNKGJSKJR-LBPRGKRZSA-N 289.379 3.682 30 20 CHED CCCCCCCCc1nc([C@H]2CCCO2)no1 762246061 YETOHSKSUXCHFL-GFCCVEGCSA-N 252.358 3.824 30 20 CHED CCC[C@H](OCC)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 860452523 ZLYDEGAKDRJGLL-YOEHRIQHSA-N 296.370 3.616 30 20 CHED C#CCOc1cccc(-c2noc([C@H](C)CCC)n2)c1 761778049 DJDIDPRLZCFQCX-GFCCVEGCSA-N 270.332 3.652 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)N(C)C[C@H](C)C#N 930487438 ZMLZHIIBVBVOOR-CQSZACIVSA-N 292.382 3.894 30 20 CHED COc1ccc(NN=C[C@H](C)c2ccc(C)cc2)nc1 863108092 GHPBRQHUMNMPDD-ZDUSSCGKSA-N 269.348 3.600 30 20 CHED C#CCCNc1cc(C(F)(F)F)ccc1OCC 760291538 MEJQTUHUKGFVAY-UHFFFAOYSA-N 257.255 3.539 30 20 CHED Cc1cc(C=NNc2nc3ccccc3s2)c(C)o1 767893597 QECKEEWMFOXNFW-UHFFFAOYSA-N 271.345 3.952 30 20 CHED C#CCCc1noc(-c2sc3cccc(F)c3c2C)n1 762009447 RVDXGQZAUIKGKD-UHFFFAOYSA-N 286.331 3.965 30 20 CHED CC#CCCCC(=O)O[C@H](C)C(=O)c1ccc(C)c(C)c1 767675729 MHKPNOMYRIGALW-OAHLLOKOSA-N 286.371 3.611 30 20 CHED C[C@H](Nc1cc(C#N)ncn1)c1csc2ccccc12 764823085 LXNKBHXUHXXHCX-JTQLQIEISA-N 280.356 3.736 30 20 CHED CC(C)[C@@H]1CC[C@H](C)CC1=NNc1ccc(C(=O)O)cn1 763377680 STPIMLJTBVRZAL-AAEUAGOBSA-N 289.379 3.640 30 20 CHED Cc1cc(OC(=O)/C=C2\CC[C@@H](C)C2)ccc1C#N 765117989 LODQHVAKNCMBKL-VSXLWIIGSA-N 255.317 3.519 30 20 CHED Cc1ccc(C(=O)Oc2ccc(C#N)cc2F)c(C)c1 769739442 OTLUOXZGPBXXGT-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(C)c(Cl)c1Cl 1116403125 DYYIIVMQRJWZAG-MRVPVSSYSA-N 273.163 3.998 30 20 CHED CN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)c(Cl)c1 876166404 SZPRJNLQPKJDND-MJVIPROJSA-N 288.778 3.611 30 20 CHED CCCC(C)(C)C(=O)Nc1cc(C#N)c(F)cc1F 876348991 UPNLUJGBABUWSJ-UHFFFAOYSA-N 266.291 3.601 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@H](C(F)(F)F)C1 775643287 TYMDISREFQQLIR-NSHDSACASA-N 288.700 3.596 30 20 CHED C=C(Cl)CNCc1ccc(Oc2ccccc2)o1 779970949 BKWBBTXHUVJNQP-UHFFFAOYSA-N 263.724 3.914 30 20 CHED C=CCN(CCc1ccc(F)cc1)Cc1cccc(C#N)c1 1116502401 VCITWCMRCWLUEV-UHFFFAOYSA-N 294.373 3.928 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc(Cl)s1 878174034 HOUIHRMXIJSOGA-UHFFFAOYSA-N 257.786 3.620 30 20 CHED CCC(CC)CNN=Cc1sccc1Br 774474328 YOJIKXFPADZYRB-UHFFFAOYSA-N 289.242 3.870 30 20 CHED C=CCC[C@H](C(=O)OCc1cc(C)no1)c1ccccc1 778559810 WCEHAKVBKMWYLF-INIZCTEOSA-N 285.343 3.776 30 20 CHED N#Cc1ccc(C=NNc2cccc(Cl)c2F)c(F)c1 772840955 PXMFNRJGHZQMHR-UHFFFAOYSA-N 291.688 3.936 30 20 CHED C[C@H](C(=O)OCCC(C)(C)C#N)c1ccc(Cl)s1 776393266 DNPJIZALIUBKPM-VIFPVBQESA-N 285.796 3.988 30 20 CHED C#CCCCCCC(=O)Oc1ccc(F)c(C(C)=O)c1 873638483 HXLXUJIWYNVHML-UHFFFAOYSA-N 276.307 3.517 30 20 CHED N#C[C@@H](C(=O)C1(F)CCCC1)c1ccc2ccccc2n1 773962570 WLMNVSUJPFEBMX-CYBMUJFWSA-N 282.318 3.693 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc2c(c1)OCO2 777913301 UKBBSZBXPGQIAS-ZZXKWVIFSA-N 284.286 3.759 30 20 CHED CC[C@@H](C)[C@@H](C(=O)OCC1(C#N)CC1)c1ccccc1 775826180 FJWSXBUQLPLQPN-UKRRQHHQSA-N 271.360 3.663 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)c(F)c1 772810058 ZYOJVWMRUZAWGW-AATRIKPKSA-N 293.297 3.624 30 20 CHED N#Cc1c(NC(=O)c2ccoc2)sc2c1CCCCC2 57788438 OPBZMTKFWRNZLQ-UHFFFAOYSA-N 286.356 3.734 30 20 CHED C#CCOc1ccc(CNc2cc(F)ccc2F)cc1 776495046 SGVNCNTYQXOCJQ-UHFFFAOYSA-N 273.282 3.589 30 20 CHED FC(F)(F)CCON=Cc1ccc2ccccc2n1 777458764 LJBDWNSWFQECON-UHFFFAOYSA-N 268.238 3.538 30 20 CHED Cc1ccc(F)cc1C=NNCc1ccccc1Cl 777883164 RBFDOPUUILKWAX-UHFFFAOYSA-N 276.742 3.911 30 20 CHED CC(C)C[C@H](C)OC(=O)c1ccc(C#N)c(Cl)c1 778616497 UYEDVQDANMWWLC-JTQLQIEISA-N 265.740 3.803 30 20 CHED N#CC1(COC(=O)c2ccccc2CCC(F)(F)F)CC1 775874407 RXMQPEKQBMULTF-UHFFFAOYSA-N 297.276 3.642 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)CC2(C#N)CCCCC2)C1 1125457382 UOBQUMHXXOQPOJ-HUUCEWRRSA-N 276.424 3.793 30 20 CHED CC[C@H](C)CC(=O)N1CCC(c2ccc(C#N)cc2)CC1 887701957 QUHAKCWMRQHWAD-AWEZNQCLSA-N 284.403 3.700 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)CCc1ccc(C#N)cc1 1127510248 YBKXNCOUFGBDOW-GOSISDBHSA-N 298.430 3.918 30 20 CHED CCC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1cccc(F)n1 1122732895 YGLAQKLMAFSDBU-QWHCGFSZSA-N 276.355 3.859 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1C)c1ccc(F)cc1 1127462392 IIPGVBZZHGDTMF-KRWDZBQOSA-N 296.345 3.887 30 20 CHED COc1cccc(NN=C(C)C2CCC(F)(F)CC2)n1 788725192 HVGHLSNZNMXYME-UHFFFAOYSA-N 283.322 3.704 30 20 CHED C#CCn1ccc(CN(CC)Cc2ccc(C(C)C)cc2)n1 789332296 PXVSSJUIJQNWDL-UHFFFAOYSA-N 295.430 3.662 30 20 CHED C[C@H]1CCC(=NN[C@H]2CCOC(C)(C)C2)c2ccccc21 780248615 CETYMUFRVWJRNO-KBPBESRZSA-N 286.419 3.835 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)[C@@H](C#N)c1cccc(F)n1 1122728595 BZMVVKSNCFPGBA-ZDUSSCGKSA-N 297.333 3.538 30 20 CHED CC1(C)CCC[C@H](C=NN[C@H](CO)c2ccccc2)C1 788467842 GBPBQORRRDVANM-GOEBONIOSA-N 274.408 3.512 30 20 CHED C=C(CNC(=O)C[C@H]1CCC2(CCC2)CO1)c1ccccc1 890938139 YXQCDMIWXMYLIR-QGZVFWFLSA-N 299.414 3.555 30 20 CHED N#CCSCCCN1CCC(c2ccccc2)CC1 74980942 UQYRAGCOZIKECH-UHFFFAOYSA-N 274.433 3.513 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCOC2(CCC2)C1 890920333 QRPOEHPTHYXIJM-HNNXBMFYSA-N 279.424 3.588 30 20 CHED C=CC(C)(C)CC(=O)O[C@H](C)c1cccc(NC(C)=O)c1 892605496 QVYZUWJGKAPSIU-GFCCVEGCSA-N 289.375 3.852 30 20 CHED CC(C)(C#N)CC(=O)Oc1ccc(C(C)(C)C)cc1 780850218 BBSLLONKXUYXCZ-UHFFFAOYSA-N 259.349 3.829 30 20 CHED C[C@H]1CC[C@@H](CC(=O)OCCCC(C)(C)C#N)C1 784117811 NZWXVSZOQRFBGS-QWHCGFSZSA-N 251.370 3.686 30 20 CHED Cn1ncc2c1CC/C(=C\c1ccc3c(c1)CCCC3)C2=O 792870996 DBJRGLHBZJUHCQ-LFIBNONCSA-N 292.382 3.511 30 20 CHED CCCCCCC[C@@H](C)NC[C@H]1CCCN(C)C1 105935878 ILEIBJKSHIMRSS-HZPDHXFCSA-N 254.462 3.667 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2C=CCCCCC2)cc1 793400520 IVMROWVLVSYGCH-OAHLLOKOSA-N 255.317 3.604 30 20 CHED CC[C@@H]1[C@H](C)CCN1c1nc(C(F)(F)F)ccc1C#N 185930090 HVRAODUYIWTJFZ-MWLCHTKSSA-N 283.297 3.597 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(Br)cn1 393737244 CNSOOUQLFQZGHP-JQWIXIFHSA-N 283.213 3.849 30 20 CHED CC[C@H](C)[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)OC 1206376512 ILPZOHSWUQIBNN-JJRVBVJISA-N 274.408 3.612 30 20 CHED C=CCCCCNC(=O)c1ccc(F)cc1Cl 274472219 MJOUKGAEVROJDL-UHFFFAOYSA-N 255.720 3.565 30 20 CHED CCCCCCCCNC(=O)NCc1cc(CC)ccn1 798071299 DASPXBDPHLTCEN-UHFFFAOYSA-N 291.439 3.804 30 20 CHED C=CCCSCCNC1CC(c2cccc(F)c2)C1 595058716 JWGMTLKXYPZART-UHFFFAOYSA-N 279.424 3.971 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2cccc(F)c2[N+](=O)[O-])C1 790311289 ZJGKZZCBDJIGNG-GHMZBOCLSA-N 279.315 3.958 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNc1cncc(Cl)n1 797401877 OQKZQBCTXAULFD-NXEZZACHSA-N 266.776 3.744 30 20 CHED CC[C@@H](C)CON=CCCc1ccc(OC)cc1C 793157449 AKRIJHVXBFQMNV-CYBMUJFWSA-N 263.381 3.985 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 797577394 ZVYHDLKAAIEWPQ-ZWKOTPCHSA-N 291.394 3.861 30 20 CHED Oc1ccc(Cl)cc1/C=N\C[C@@H]1CCC(F)(F)C1 797399350 WSJXMPWCYUIDGI-QQWZZVHASA-N 273.710 3.900 30 20 CHED CCCCCCCCNC(=O)N1CCCC[C@H]1C[C@@H](C)O 790792427 DLFQKNJZTRZXHB-CVEARBPZSA-N 298.471 3.682 30 20 CHED C[C@@H](NCCCCC#N)c1cc(Br)cs1 194022734 XKJJSCWPQFYAHS-SECBINFHSA-N 287.226 3.855 30 20 CHED Cc1ccc(-c2nc(-c3ccccc3)no2)cc1C#N 799759237 KPHIPKGWVUZDKX-UHFFFAOYSA-N 261.284 3.584 30 20 CHED C[C@@H](Nc1cccc2c1CCO2)c1ccc(OCC#N)cc1 794836487 ONZMFYALCKOVIK-CYBMUJFWSA-N 294.354 3.697 30 20 CHED N#Cc1cc(C(=O)Oc2ccc(Cl)cc2)ccc1F 790086171 ZWBNZJXTNHFBID-UHFFFAOYSA-N 275.666 3.570 30 20 CHED Cc1c(C(=O)OC2(C#N)CCC2)sc2ccc(C#N)cc12 796964618 YPEDDHNKJATSJG-UHFFFAOYSA-N 296.351 3.684 30 20 CHED C#CCCCNC(=O)Nc1c(CC)cc(C)cc1CC 797682559 VJLPKEGVOWDTMD-UHFFFAOYSA-N 272.392 3.655 30 20 CHED CCc1nnc(SCc2ccc(C#N)c(C)c2)s1 594918155 SBLVUQDWSWVHPX-UHFFFAOYSA-N 275.402 3.573 30 20 CHED C#C[C@H](CC)NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 754354958 YXTZENAHBJLBPJ-LLVKDONJSA-N 289.684 3.500 30 20 CHED Cc1nc(N2CCC(C)(C)CC(C)(C)C2)ccc1C#N 699711499 BCJUHMXBAHUSDU-UHFFFAOYSA-N 271.408 3.914 30 20 CHED Cc1cc(C#N)ccc1Cn1nc(Cl)c2ccccc21 776746175 PICULSXEHSBGNL-UHFFFAOYSA-N 281.746 3.918 30 20 CHED C[C@@H](N[C@@H]1CCCC1(C)C)c1ccc(OCC#N)cc1 94322412 LCRMEHNSLNORMG-CZUORRHYSA-N 272.392 3.818 30 20 CHED CC(C)CC1(C(=O)[C@@H](C#N)c2ccccn2)CCCC1 95016712 PURLPMHBVWZRER-AWEZNQCLSA-N 270.376 3.864 30 20 CHED CC[C@@H](NCC1(CC#N)CC1)c1ccc(C)c(F)c1 1307611708 RHVZKOVGCITUPG-OAHLLOKOSA-N 260.356 3.869 30 20 CHED CC(C)(CC(=O)COc1ccc(C#N)cc1Cl)C1CC1 1307281609 SCRACGUEHSIVGD-UHFFFAOYSA-N 291.778 3.986 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCCC[C@@H]1N(C)C 1319212201 RFOWCBFEAMONGE-JYJNAYRXSA-N 252.446 3.584 30 20 CHED C=CCn1cnnc1S[C@H](C)c1ccccc1C 1319320881 PFRWPVAJIVLHOL-GFCCVEGCSA-N 259.378 3.626 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1ncc(C#N)cc1Br 1185497350 IGDKAJHNRCTFDK-NXEZZACHSA-N 296.212 3.952 30 20 CHED Cc1cc(N[C@@H](C)c2ccc(F)cc2F)ncc1C#N 1185640746 WCMUNWKPQFUVRV-JTQLQIEISA-N 273.286 3.713 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@H](C)c1ccncc1 1336215145 CAQWLOGCCRWWNX-HOCLYGCPSA-N 272.392 3.532 30 20 CHED CC(C)(C#N)Cc1nnc(Cc2cccc3ccccc23)o1 1333108604 RWRRTKNDTFYROY-UHFFFAOYSA-N 291.354 3.906 30 20 CHED COc1cccc([C@@H](C)Nc2nc(C#N)c(Cl)s2)c1 1184959610 XLHLPXLGPUKYKB-MRVPVSSYSA-N 293.779 3.850 30 20 CHED CCC/C(C)=C/c1nnc(-c2ccc(C#N)cc2)o1 1330047187 RBMDQNJLJXIYBD-PKNBQFBNSA-N 253.305 3.812 30 20 CHED N#CC1(CCCCOC(=O)CC#Cc2ccccc2)CCC1 1345396051 ZBPJEECJIXHMFV-UHFFFAOYSA-N 295.382 3.836 30 20 CHED CC(C)C[C@H](C)OCCC(=O)O[C@@H](CC#N)c1ccco1 1344935337 DWVNLIMLGYNQKF-ZFWWWQNUSA-N 293.363 3.619 30 20 CHED CCN(C(=O)Cc1cccc(C#N)c1)c1cc(C)ccc1C 1351221797 VVGDDJVMSCVGAE-UHFFFAOYSA-N 292.382 3.771 30 20 CHED CC(C)(C#N)C[C@H](O)CN[C@@H](C1CCCCC1)C1CCC1 1356622877 VMOMYKLSNIFZCP-IRXDYDNUSA-N 292.467 3.626 30 20 CHED C[C@H](OC(=O)c1csc(C#N)c1)c1ccc(Cl)cn1 1516540026 QJMQOCIEWUGFJP-QMMMGPOBSA-N 292.747 3.586 30 20 CHED CSc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 109360200 CUNPMDSWVMWNQR-UHFFFAOYSA-N 282.368 3.557 30 20 CHED Cc1cc(NCCc2ccc(F)cc2Cl)ncc1C#N 1458166322 IGUSZHPFXXYDKM-UHFFFAOYSA-N 289.741 3.709 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cc(F)cc(C#N)c1 1467153835 ZXWDULUNPWRXSG-QWRGUYRKSA-N 277.343 3.644 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1ccc(F)c(C#N)c1 1463082635 SURSTTPBFJOPIP-UHFFFAOYSA-N 296.345 3.586 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1nn(C(C)(C)C)cc1C#N 1531924069 HWMMIUOMLDSNJX-LBPRGKRZSA-N 290.411 3.521 30 20 CHED C=CCCCCCN(C)[C@H](C)c1ncc(C(=O)O)s1 1602870597 NUVWYACROZWYDC-LLVKDONJSA-N 282.409 3.581 30 20 CHED CCCCCCCOc1ccc(C(=O)O)c(OC)c1 1605267166 GPKAUNLBVKFCDS-UHFFFAOYSA-N 266.337 3.743 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cc(F)ccc1N(C)C 1474760073 GCSIJWXKFLBGFD-KCQAQPDRSA-N 289.398 3.625 30 20 CHED Cc1nc(C#N)cc(Oc2cnc3ccc(Cl)cc3c2)n1 1612374217 NVARZBKHRIJSTG-UHFFFAOYSA-N 296.717 3.651 30 20 CHED N#Cc1sccc1C(=O)Nc1ccc2occc2c1 1544476716 RSFAQDYRTLWQOT-UHFFFAOYSA-N 268.297 3.618 30 20 CHED CCCC(CCC)C(=O)Nc1cccc(OCC#N)c1 228447522 AEWVHBIOESLKPC-UHFFFAOYSA-N 274.364 3.744 30 20 CHED CC[C@@H](C)[C@@H](Sc1ccc(C#N)c(C)c1)C(=O)OC 1644029732 VIJRTXDAHPAEJY-QMTHXVAHSA-N 277.389 3.547 30 20 CHED C[C@@H](Nc1cc(C#N)cnn1)c1cccc2ccccc12 1643287031 LATUVNUOKWFLFR-GFCCVEGCSA-N 274.327 3.675 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(CC2(CC#N)CC2)C1 1653461934 XHFCLYRFDOVNMV-BBRMVZONSA-N 272.367 3.902 30 20 CHED CC(CC1CCC1)=NNc1cccc(F)c1C(=O)O 1592458659 CQEVAOBOZYLUEE-UHFFFAOYSA-N 264.300 3.502 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cccc(CC#N)c2)cc1 1671984202 KXNAKMKLBVEXNC-UHFFFAOYSA-N 279.343 3.729 30 20 CHED C=CCC[C@H](C)N1CC[C@@H]2C[C@H](CC(=O)O)CC[C@H]2C1 1776166160 OXWPHQLDCQHISP-JJXSEGSLSA-N 279.424 3.554 30 20 CHED C=CCC1(C(=O)O)CCN([C@@H](CC)c2ccccc2)CC1 1776158006 HDAQQRGVQSATPT-INIZCTEOSA-N 287.403 3.881 30 20 CHED C=Cc1ccc(/C=C2\CCc3occ(C(=O)O)c3C2=O)cc1 1776194430 GBFMONYTNAOXAL-UKTHLTGXSA-N 294.306 3.833 30 20 CHED C=CCCC(C)(C)CNc1ncnc2cc(C(=O)O)ccc12 1776165402 NRNLONYUJSKVJP-UHFFFAOYSA-N 299.374 3.732 30 20 CHED Cc1cccc(COC(=O)/C=C/c2ccccc2C#N)c1 11541600 GTRBHZNFLPRKIK-MDZDMXLPSA-N 277.323 3.623 30 20 CHED CC(C)c1ccc(/C=N/OCc2nccs2)cc1 161174189 IRPCIPUBQWZBJW-CXUHLZMHSA-N 260.362 3.817 30 20 CHED CC(C)(C#N)CCCOc1cccc(Oc2ncccn2)c1 158126423 AQLIGNHWBVJVPJ-UHFFFAOYSA-N 297.358 3.978 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2cc(F)ccc2C#N)cc1 158347240 ZDAYNYMKLYBNAA-CYBMUJFWSA-N 298.361 3.899 30 20 CHED COC(=O)[C@H](Sc1ccc(C#N)cc1Cl)C(C)C 163302520 FVQLTECFZCKETH-GFCCVEGCSA-N 283.780 3.501 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C(C)=O)cc1 151114003 ODDBBYRDSVFEHO-UHFFFAOYSA-N 258.317 3.563 30 20 CHED CCC(=O)c1ccc(OCc2ccc(C#N)cc2OC)cc1 154612840 NVZFLGDKJCYWAI-UHFFFAOYSA-N 295.338 3.739 30 20 CHED CC1(C)CCC/C(=C\c2csc([N+](=O)[O-])c2)C1=O 159011555 QSKQTEXIMMYZDT-UXBLZVDNSA-N 265.334 3.819 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)c(OC)c1 234058296 ZAVLLTMRKVVFCP-HOCLYGCPSA-N 272.392 3.625 30 20 CHED Cc1ccc(C#N)c(NCC(C)(C)c2ccccc2)n1 43395558 FSJDECPBBFDZOG-UHFFFAOYSA-N 265.360 3.651 30 20 CHED N#Cc1ccnc(N2CCC3(CCCCC3)CC2)c1 61821266 MVXYFMNDCSQIFT-UHFFFAOYSA-N 255.365 3.504 30 20 CHED C=CC[C@@H](C)NC(=O)c1scc(C)c1Br 190939558 GWQHYKWGMCVGEZ-MRVPVSSYSA-N 288.210 3.513 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C)cc2C)c1 308139778 ROYQFQLWSHLDIN-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CC[C@@H](CNC(=O)C1(C#N)CCCCC1)CC(F)(F)F 402430795 HZODXIVPOPDMRL-LLVKDONJSA-N 290.329 3.555 30 20 CHED COc1ccc(C#N)cc1CN[C@@]1(C)CCCC[C@@H]1C 308717184 XIPTZYFFPZZESE-GUYCJALGSA-N 272.392 3.625 30 20 CHED C=C(C)CNc1ccc(C(F)(F)F)c(Cl)n1 309337624 AXSPADTTZHVYOF-UHFFFAOYSA-N 250.651 3.742 30 20 CHED N#Cc1cccc(OCc2cnc3ccccc3c2)c1 312156099 POOPBLDVAZBXKB-UHFFFAOYSA-N 260.296 3.685 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1cccc(Cl)c1Cl 320155997 ADJREQRYKWTCAY-MNOVXSKESA-N 288.218 3.971 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(-c2ccccc2)c1 709741764 BMTXSRWHBRRZFQ-CYBMUJFWSA-N 264.328 3.842 30 20 CHED CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1Cl 384292803 XVQGFNMWHIBERN-XHDPSFHLSA-N 262.784 3.832 30 20 CHED CC(C)[C@H]1CCCCN1Cc1cccc(C#N)c1F 395876124 ANMOTEHOUOKKNS-OAHLLOKOSA-N 260.356 3.708 30 20 CHED CC(C)CN(Cc1ccccn1)Cc1ccccc1C#N 55270961 AXJBSEVBLIAVFR-UHFFFAOYSA-N 279.387 3.611 30 20 CHED C=CCCCOC(=O)c1csc(-c2ccco2)n1 117992535 YNMUJYWGNLNQDY-UHFFFAOYSA-N 263.318 3.526 30 20 CHED CCCCCn1cc(C#N)c(=O)c2cc(Cl)ccc21 103261273 UJHKPVODXALVFO-UHFFFAOYSA-N 274.751 3.717 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1 103929186 FLHOSIPTVKZBDP-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CC(C)c1ccc(/C=N/OCc2nc(C(C)C)no2)cc1 172411778 YPZUAFKZPSESOW-RQZCQDPDSA-N 287.363 3.867 30 20 CHED C=CCCCC(=O)NCCCc1c[nH]c2ccccc12 175600150 XZNDBVUEODYXDD-UHFFFAOYSA-N 270.376 3.573 30 20 CHED N#Cc1cc(F)c(NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)c(F)c1 301691055 KHOGAFGUEQXQRH-JJRVBVJISA-N 296.320 3.834 30 20 CHED C[C@H](SCCCNc1ncccn1)c1ccc(C#N)cc1 118177358 VKISRKAVBAQSCC-ZDUSSCGKSA-N 298.415 3.645 30 20 CHED C=CCCCC(=O)N(C)CCc1ccc(Cl)cc1 175656548 UNRWMFPJKMAVOG-UHFFFAOYSA-N 265.784 3.697 30 20 CHED CS[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 172363721 GWIQAEJTVABAQO-MRXNPFEDSA-N 296.395 3.795 30 20 CHED CSc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1 116800443 CQXCMHZBJHDKKN-BLLLJJGKSA-N 288.416 3.611 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccc(F)cc1C 178267786 NXFSWJCYAGREBO-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CC(C)n1ccc(CSCc2cccc(C#N)c2)n1 172040397 OLLPCCLWPPDGSP-UHFFFAOYSA-N 271.389 3.769 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccc(C(C)(C)C)cc1 119863273 IBXPEEUKDXRUKU-LBPRGKRZSA-N 273.380 3.750 30 20 CHED C=CCCCC(=O)NCCc1coc(-c2ccc(C)cc2)n1 175499197 IBRARXUWDFXGQZ-UHFFFAOYSA-N 298.386 3.665 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CC12CCCCC2 302906685 XBEATPNXTLJBNN-AWEZNQCLSA-N 251.333 3.565 30 20 CHED Cc1cc(C#N)cc(NCc2c(C)nc3sc(C)cn23)c1 308121338 JROCSDFUCQYWTP-UHFFFAOYSA-N 296.399 3.805 30 20 CHED N#CCC(=O)Nc1ccccc1NCc1ccc(Cl)cc1 125437618 LNPPHCNFOZRUIB-UHFFFAOYSA-N 299.761 3.804 30 20 CHED CCCc1ccccc1NC(=O)C#Cc1ccccc1 176005332 HOOAQFCEWQVRLP-UHFFFAOYSA-N 263.340 3.629 30 20 CHED C=CCCCC(=O)N(c1ccc(OC)c(F)c1)C(C)C 175669192 FODRZTVLWWLMSD-UHFFFAOYSA-N 279.355 3.932 30 20 CHED CC[C@@H](C)Nc1ccc(C#N)cc1Br 37072224 DUFZNMKDADBDQT-MRVPVSSYSA-N 253.143 3.531 30 20 CHED CC(C)Cc1ccc(C(=O)N(CC#N)C2CCCC2)cc1 125170686 YSQNLCDQAXGVJH-UHFFFAOYSA-N 284.403 3.793 30 20 CHED CC(C)(C(=O)Oc1ccc(C#N)cc1)c1ccc(F)cc1 75460141 DYCXUTNEIBFIDN-UHFFFAOYSA-N 283.302 3.581 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](CC)c2c(C)noc2C)c1 123318214 ZMUGTVBCZOZFHF-OAHLLOKOSA-N 297.358 3.546 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCO[C@H](CC)C1 180443748 CDOXXNZBEOPIMP-IAGOWNOFSA-N 293.451 3.787 30 20 CHED CCC1(CC)CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 127978391 SQINQFFNKFGGHN-UHFFFAOYSA-N 287.363 3.873 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N(C)[C@@H](C)C#N 410882826 KEXUADJYRFDRQH-ZFWWWQNUSA-N 264.413 3.599 30 20 CHED CCC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412167150 HWOOWCLOFXMSIE-DLBZAZTESA-N 296.414 3.700 30 20 CHED N#Cc1ccc(SCC2CCC(F)(F)CC2)nc1 412992922 VIFFLQOPGXENPB-UHFFFAOYSA-N 268.332 3.871 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCC2(C#N)CCC2)c1 419015201 AWBMUVFGQLBUQB-UHFFFAOYSA-N 279.265 3.683 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2cc(F)ccc2C)cc1 180455212 WFZVPAKVXGOVJK-UXBLZVDNSA-N 297.329 3.989 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1ccc(C#N)cc1 73630591 XDRXNVSFOVUGJX-RHSMWYFYSA-N 299.418 3.668 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccccc2SC)c1 171198204 GIZQVNPSLUKJPJ-UHFFFAOYSA-N 281.380 3.666 30 20 CHED C=CCC[C@@H](C(=O)N[C@H]1C=CCCC1)c1ccccc1 188537835 KLWSJYXTKQKMGW-DLBZAZTESA-N 269.388 3.961 30 20 CHED C=CC1CCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1 126276563 WEQHDMYOSUXVMT-SFHVURJKSA-N 298.430 3.615 30 20 CHED N#CC1(CSCCCC2CCOCC2)CCC1 419482627 YJXADGCXBAJDBH-UHFFFAOYSA-N 253.411 3.620 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CCOc1ccccc1F 122880580 SDGXMHWFWREFQK-CQSZACIVSA-N 298.361 3.769 30 20 CHED C#CCCCCNC(=O)c1c(Cl)cccc1Cl 156562501 PNXWBGWLIYEKDQ-UHFFFAOYSA-N 270.159 3.527 30 20 CHED C#CCCCCNC(=O)c1ccnc(SC(C)(C)C)c1 182387036 ZGIRFNUZEDJIQT-UHFFFAOYSA-N 290.432 3.506 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cc(F)c(F)c(F)c1 414161934 GKPPHKPXRZEOQH-VIFPVBQESA-N 270.298 3.694 30 20 CHED N#Cc1ccc(CNCc2ccc(C3CCC3)cc2)o1 494845633 NWIAFQHFKICYAC-UHFFFAOYSA-N 266.344 3.709 30 20 CHED C[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1Br 501938603 NFMZHCDYODLZRV-QMTHXVAHSA-N 293.208 3.599 30 20 CHED N#Cc1c(Cl)nsc1NCCCOC1CCCCC1 48552389 FSSDJHWVVKLJJI-UHFFFAOYSA-N 299.827 3.819 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1 135087217 NEJPICFZNJWAAR-QGZVFWFLSA-N 299.374 3.840 30 20 CHED C=CC[C@H](CC)NC(=O)c1csc2ccccc12 410124430 SWWSXLNDKOSPPX-NSHDSACASA-N 259.374 3.986 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 410637100 BRAFNSAXSNOBLP-OAHLLOKOSA-N 284.403 3.877 30 20 CHED N#Cc1ccc(CN(Cc2cccc(F)c2)C2CC2)s1 130151977 NDGMJDIGAMJBCD-UHFFFAOYSA-N 286.375 3.923 30 20 CHED CCc1ccc(CC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 75276262 XJLYSCKBZKATQI-AWEZNQCLSA-N 292.382 3.541 30 20 CHED C[C@@H](NCc1ccc2ccccc2n1)c1ccc(C#N)cc1 79720735 ZETYIVDSUVXUTF-CQSZACIVSA-N 287.366 3.957 30 20 CHED OC(=Nc1cccc(-c2cc[nH]n2)c1)N1[C@H]2CCC[C@H]1CC2 329818419 XDUNJKWPQZBBSL-GJZGRUSLSA-N 296.374 3.639 30 20 CHED C=CCC[C@@H](NC(=O)CCOC(C)C)c1ccccc1 133935320 PQFCKFSRYYRRGU-MRXNPFEDSA-N 275.392 3.625 30 20 CHED CCCOc1ccc2c(c1)CCN([C@H](C)CCC#N)C2 411403144 VSNTYWYXMZOWKU-CQSZACIVSA-N 272.392 3.526 30 20 CHED C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1F 136226574 WZZJNJGQYXLZPA-SNVBAGLBSA-N 290.288 3.826 30 20 CHED Cc1cc(/C(O)=N/CC(C)(C)C2CCCCC2)cnn1 329846553 QUWPJVXBNRLGNL-UHFFFAOYSA-N 275.396 3.696 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(F)cc2)n1 80450890 HRXNRHBGWAJCPC-GFCCVEGCSA-N 288.347 3.896 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2CCCc3sccc32)C1 193295646 HIZNBTUJCKCVQQ-OBJOEFQTSA-N 260.406 3.797 30 20 CHED C[C@@H](N[C@@H](CO)CC1CCCCC1)c1ccc(C#N)cc1 417364066 LEQNUHDXZUPIFL-RDTXWAMCSA-N 286.419 3.540 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3CC[C@H]2C3)cc1 193494598 YJAGPNWOCFKAMZ-WFASDCNBSA-N 283.375 3.504 30 20 CHED COc1cccc(/C=C\C(=O)c2ccccc2F)c1 221476870 LMXNFNPNOYDIKX-KTKRTIGZSA-N 256.276 3.730 30 20 CHED N#CC1(c2nc(CCC3CCCCC3)no2)CCCC1 329449298 CFHHJOOYDGGVAN-UHFFFAOYSA-N 273.380 3.918 30 20 CHED C=CCSCCNC(=O)N[C@@H](C)c1cccc(C)c1C 509182069 WWWKMTOISWFZEW-AWEZNQCLSA-N 292.448 3.583 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 135681777 DCBQALVCIYABRA-GFCCVEGCSA-N 256.374 3.779 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)c1 191230605 KZRMYHVLIWJHNI-SFHVURJKSA-N 279.387 3.542 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccn1C1CCCC1 428042851 DNENQQIGKLQJBO-AWEZNQCLSA-N 272.392 3.784 30 20 CHED CCCCCCC[S@@](=O)Cc1nc(C)cs1 133808381 WHEVHDHAIDYVKP-INIZCTEOSA-N 259.440 3.671 30 20 CHED COc1ccccc1[C@H](C)[S@](=O)Cc1ccc(C#N)cc1 83080335 MMUFJUDTNLWDMI-ZSEKCTLFSA-N 299.395 3.577 30 20 CHED Cc1cccc(OC(=O)C2(C#N)CCCCC2)c1C 194316505 CZDYKMAFNIZWLC-UHFFFAOYSA-N 257.333 3.683 30 20 CHED N#C[C@@H](C(=O)CCc1ccccc1)c1nc2ccccc2o1 41546139 BYQOFMHSTMTYJA-AWEZNQCLSA-N 290.322 3.637 30 20 CHED Cc1ccc(SCCN2CCC(F)(C#N)CC2)cc1C 510953632 UQHFXAMUYBHECB-UHFFFAOYSA-N 292.423 3.723 30 20 CHED C=CCC1(C(=O)Nc2ccccc2COC)CCC1 191872481 MSCDLEPYXCJQIT-UHFFFAOYSA-N 259.349 3.518 30 20 CHED Cc1ccc2oc(N3CCC(CCC#N)CC3)nc2c1 335378583 HUDQVDZPFFHIKZ-UHFFFAOYSA-N 269.348 3.656 30 20 CHED N#Cc1cccnc1N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 89268699 KEUDVSPDTHJRCA-LSDHHAIUSA-N 299.761 3.549 30 20 CHED C[C@H](CNCCC#N)Cc1ccc(C(C)(C)C)cc1 425988821 PLUMICLIUKYZJD-AWEZNQCLSA-N 258.409 3.666 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C)c(OC)c1C 425436757 XRGJEHQZYGNWLF-UHFFFAOYSA-N 261.365 3.853 30 20 CHED CC(C)[C@H](C)S[C@@H]1CCN(c2sccc2C#N)C1=O 83093499 QTEAIROUNAJTJT-CMPLNLGQSA-N 294.445 3.503 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 515642068 NEUPKRRYVFQKSF-ZDUSSCGKSA-N 293.794 3.616 30 20 CHED CCC[C@@](C)(CC)C(=O)NCC#Cc1cccc(F)c1 513125422 DXYPGHDJJGMJJZ-QGZVFWFLSA-N 275.367 3.510 30 20 CHED CC(=O)c1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1 336109650 FFYKUYHHCXSYLA-UHFFFAOYSA-N 298.367 3.692 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](c2cccnc2)C1 335419775 XQGBPHNPMJELIH-KBXCAEBGSA-N 277.371 3.504 30 20 CHED CC1(C#N)CCC(N[C@H]2CCCc3occc32)CC1 336228859 HKEIHQNYRJTBRG-UGWHAMFMSA-N 258.365 3.719 30 20 CHED N#Cc1ccc(/C=C\c2ncc(-c3ccccc3)[nH]2)nc1 339317996 SXHGALQUCCDGSQ-HJWRWDBZSA-N 272.311 3.514 30 20 CHED CC1(C)SC[C@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 338794434 PMXOHZUIHISYTC-HZPDHXFCSA-N 286.444 3.809 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)nc2Cl)cc1 194357196 MEQKVAWFAJSYFJ-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CC(C)CCOCCN(C)[C@H](C)c1cccc(C#N)c1 425533490 KWLRGXNNANRIHW-OAHLLOKOSA-N 274.408 3.614 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc2ccn(C)c12 424794999 OQZMGJGABXNJLO-UHFFFAOYSA-N 256.349 3.719 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(Cl)cc1Cl 339167670 AYJUFJRITKVDQS-JTQLQIEISA-N 285.174 3.758 30 20 CHED C=CCOCCCN1C[C@H](C)C[C@@H]1c1ccccc1 513268769 YYDCICKHWMILJH-NVXWUHKLSA-N 259.393 3.662 30 20 CHED N#Cc1ccnc(NCc2ccccc2OC2CCCC2)c1 339968390 AZLIIRMOGYKAGN-UHFFFAOYSA-N 293.370 3.887 30 20 CHED CCC(CC)[C@H](C)C(=O)N1CCc2c(C#N)cccc21 421656717 LIWSVWNISDLGAC-LBPRGKRZSA-N 270.376 3.520 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 512944420 CKPGOTHLIRQWTF-ZDUSSCGKSA-N 288.366 3.596 30 20 CHED Cc1cccnc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 93177832 AUYSVRKIBPCZPJ-PKOBYXMFSA-N 291.398 3.662 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(Br)nc1 290628614 IXGMFOONNNXDJE-ZYHUDNBSSA-N 283.213 3.849 30 20 CHED N#CCc1ccccc1NC(=O)CCC1CCCC1 339163097 AUCQBUJYZXCUEB-UHFFFAOYSA-N 256.349 3.662 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccccc3F)C2)cc1 337512488 GFXQNJFDNNIIJA-INIZCTEOSA-N 280.346 3.687 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 233356958 VQEUMOSZPZKGNB-ZJIFWQFVSA-N 261.409 3.511 30 20 CHED N#C[C@@H]1CC[C@H](N2CC=C(c3ccc(F)cc3)CC2)C1 336630914 QTTYNQBWYYMNCS-DYVFJYSZSA-N 270.351 3.607 30 20 CHED CCCCCNCc1cccc(OCCCC#N)c1 236751715 MPAAXQNANFWZRK-UHFFFAOYSA-N 260.381 3.649 30 20 CHED C=CCSc1nnc(-c2ccc(OC(F)F)cc2)o1 97603708 JKMUHUCZAONRFZ-UHFFFAOYSA-N 284.287 3.616 30 20 CHED CC(C)C[C@@H]1C[C@H](/N=C(/O)C[C@@H]2CCC(=O)[C@@H]2C)CCO1 330038307 ZUTZPERHBFBTPI-LXTVHRRPSA-N 295.423 3.542 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](CC#N)c1ccccc1 337092869 MVOMIYUIXGYEPI-HZPDHXFCSA-N 270.376 3.545 30 20 CHED Cc1ncc(/C(O)=N/[C@@H](C)c2nc(C(C)(C)C)cs2)[nH]1 330464189 UTSGAQMUKKEYAH-QMMMGPOBSA-N 292.408 3.538 30 20 CHED CC[C@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)C(C)C 434030773 JWRAGYLBMSWXMU-ZIAGYGMSSA-N 264.413 3.599 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCc1ccc2ccccc2c1 523354564 HQFXOCJXRUFKCG-SFHVURJKSA-N 280.371 3.581 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(Cc1ccco1)C(C)C 432291499 KWWYRLJVEMKDNB-UHFFFAOYSA-N 297.358 3.902 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 431951520 NWVMMBPIIFVFJZ-SLEUVZQESA-N 285.391 3.813 30 20 CHED Cc1csc(CSCc2ccc(CC#N)cc2)n1 342575939 VJWZCVRHBZNUOA-UHFFFAOYSA-N 274.414 3.951 30 20 CHED Cc1c([C@H](C)NC[C@@H](C#N)CCC#N)oc2ccccc12 348009077 RHBMCJKXWRNUSV-UONOGXRCSA-N 281.359 3.835 30 20 CHED C[C@@H](CNc1cccc(F)c1C#N)N1CCc2ccccc21 520747880 JGNNNPJYEGAOHV-ZDUSSCGKSA-N 295.361 3.560 30 20 CHED N#CCCC[C@H](NCC(F)(F)F)c1ccccc1 433040534 QYGGMGQZGFQLOW-LBPRGKRZSA-N 256.271 3.573 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@H](CC)CC1 522677548 WBKBZXLKXKKUTO-OAHLLOKOSA-N 287.403 3.904 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 524194454 BCOWLIAWBWURNN-LSDHHAIUSA-N 289.419 3.967 30 20 CHED N#Cc1cccc(CCN[C@H]2CCCNc3ccccc32)c1 348366120 UHHXIHOHZDJYAB-IBGZPJMESA-N 291.398 3.637 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N(CC#N)C1CCCC1 524583866 XWKLADFTWDTSAS-MRXNPFEDSA-N 284.403 3.550 30 20 CHED C=CCSCCN[C@@H](C)c1cc(F)cc(F)c1 180458648 YDJWQVBXCWXGOF-JTQLQIEISA-N 257.349 3.535 30 20 CHED Cc1c(CSC(C)C)cccc1NC(=O)[C@@H](C)C#N 346429641 HHXIPUXCPAIUNR-NSHDSACASA-N 276.405 3.735 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccccc1C)C1CC1 522632281 RRIBWHNVJRCRRL-CJNGLKHVSA-N 272.392 3.710 30 20 CHED C=CCC[C@H](C)NCc1ccccc1N(C)C(C)C 437085707 HEIGUISFYQNQPJ-HNNXBMFYSA-N 260.425 3.976 30 20 CHED Cc1cccc([C@@H]2CCN(C[C@@H](C)CCC#N)C2)c1 602610422 WWPXEALNUZOVKD-DOTOQJQBSA-N 256.393 3.724 30 20 CHED CC1(C)CCc2cccc(NCc3ccc(C#N)o3)c2O1 527814688 ZIUVOVBQRZIEDN-UHFFFAOYSA-N 282.343 3.867 30 20 CHED N#CC1(CN2CCC(=Cc3ccccc3F)CC2)CC1 347472646 WOJWSRYCYOVZRT-UHFFFAOYSA-N 270.351 3.609 30 20 CHED CN(CCc1ccccc1)C(=O)c1cc(C#N)ccc1Cl 349179218 BBJSREOTQLOCEZ-UHFFFAOYSA-N 298.773 3.526 30 20 CHED CCC1(CN[C@@H](C)CC2(C#N)CCOCC2)CCCC1 602569691 RKBWLWWITJMJQZ-HNNXBMFYSA-N 278.440 3.645 30 20 CHED Cc1cc(CN2CC(C)(C)[C@H]2c2cccnc2)ccc1C#N 430085770 BIPQMYKYQCKHKV-GOSISDBHSA-N 291.398 3.845 30 20 CHED C=C(C)CN(C)C(=O)C[C@H](C)c1c[nH]c2ccccc12 346564374 NELSRDSUXZMUAZ-ZDUSSCGKSA-N 270.376 3.696 30 20 CHED N#Cc1ccc(OCCn2ccc(-c3cccs3)n2)cc1 348035798 ILHMJKUIGLABJV-UHFFFAOYSA-N 295.367 3.562 30 20 CHED Cc1ccc(C#N)c(Nc2cccc(N3CCCC3)c2)n1 341574963 PNDZPPPITYAHBO-UHFFFAOYSA-N 278.359 3.606 30 20 CHED COc1cccc(C=Nc2ccc3c(c2)CCCN3C)c1O 255612697 NDHGQMLSGQRZGG-UHFFFAOYSA-N 296.370 3.534 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2sc(C)nc21 346459409 OLACBHHUOAUJRJ-DGCLKSJQSA-N 292.448 3.732 30 20 CHED C=CC[C@H](C)NC(=O)c1cnn(C2CCCC2)c1CCC 344908535 FGDGSDOPYBUFIM-ZDUSSCGKSA-N 289.423 3.645 30 20 CHED CSc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccn1 344115361 XCDJYIFCOSSWGN-LBPRGKRZSA-N 283.400 3.526 30 20 CHED Cc1ncc([C@H](C)NCCCCC(C)(C)C#N)s1 602955304 JEPVFBPLTHLBIN-NSHDSACASA-N 265.426 3.822 30 20 CHED C[C@H]1c2cc(Cl)cc(Cl)c2CCN1CCC#N 446735086 INLJFMIQZFFVTC-VIFPVBQESA-N 269.175 3.826 30 20 CHED C=CCCCC[C@@H](C)N[C@@H]1CCCn2nc(C(C)C)nc21 449194456 PDHMYQLVLLTRSP-HUUCEWRRSA-N 290.455 3.961 30 20 CHED Cc1ccc2c(c1)OCC/C(=C/c1ccc(C#N)cc1)C2=O 255603793 DFFHLYWAKGXUAH-WJDWOHSUSA-N 289.334 3.916 30 20 CHED Cc1ccccc1[C@H]([C@@H](C)NC[C@@H](C)CCC#N)N(C)C 602627043 PFCHOQGRFYGJDB-LESCRADOSA-N 287.451 3.516 30 20 CHED Cc1ccccc1[C@H]1CCN(C[C@@H](C)CCC#N)C1 602465526 ROIQMWFURMJBST-HOCLYGCPSA-N 256.393 3.724 30 20 CHED CC[C@H](CNC[C@H](C)CCC#N)Oc1ccccc1C 602564176 QBRKTEWMGVCUDD-GDBMZVCRSA-N 274.408 3.682 30 20 CHED CC(C)COc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 442710681 CWJXNBWGKSNIJD-GDBMZVCRSA-N 272.392 3.503 30 20 CHED C=C(C)CCc1noc(-c2ccc(CC)nc2C)n1 351622690 LMOWRFMJONNWRA-UHFFFAOYSA-N 257.337 3.511 30 20 CHED CC(C)c1cnc(SCc2cc(C#N)ccc2F)n1C 267057310 QBAMMCXDQYZVOH-UHFFFAOYSA-N 289.379 3.847 30 20 CHED C=CCNc1ccccc1C(=O)NCc1ccc(C)cc1 354968728 BVWDSQRFVDRKOS-UHFFFAOYSA-N 280.371 3.523 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](OCC)c1ccccc1 446848632 SWWTXROVPYUJIS-ZMSDIMECSA-N 261.409 3.955 30 20 CHED CC[C@@H](C(=O)N(C)[C@@H](C)CC#N)C1CCC(C)CC1 359290540 CWASZNAETBHWOS-OOJKYFRXSA-N 264.413 3.599 30 20 CHED COc1cc(CNCCC2=CCCCCC2)ccc1C#N 440616789 SBZVNVAQBTVQGB-UHFFFAOYSA-N 284.403 3.937 30 20 CHED C=CCCNC(=O)CCC[C@H](C)c1cccc(OC)c1 617618362 MTLVWWFVXLNPCN-AWEZNQCLSA-N 275.392 3.661 30 20 CHED C=CCOc1cccc(CNCC(C)(C)c2ccccn2)c1 449397870 SEOWGVMSALPSDD-UHFFFAOYSA-N 296.414 3.714 30 20 CHED Cc1ccc(CN(Cc2cccc(C#N)c2F)C2CC2)o1 611371055 DZMBUIXIJULTJQ-UHFFFAOYSA-N 284.334 3.763 30 20 CHED Cc1cc(C)c(NC(=O)N(C)[C@H](C)CC#N)c(Cl)c1 610663431 JDJFXXOUVYJENQ-LLVKDONJSA-N 279.771 3.723 30 20 CHED C=C(CC)CSCC(=O)Nc1ccc(F)cc1F 358632611 AJLXECZXRXLVKU-UHFFFAOYSA-N 271.332 3.603 30 20 CHED Cc1cccc2c(N3CC[C@@H](C4CC4)C3)c(C#N)cnc12 611204602 CVYIRUGVZDHQOO-CQSZACIVSA-N 277.371 3.651 30 20 CHED C=C(CC)CN[C@H](C)c1cccc(N2CCCC2)c1 539379549 UIQMUNDCXGQMBU-OAHLLOKOSA-N 258.409 3.904 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1C 539461123 QWOQEZDOZDXJLC-IHRRRGAJSA-N 252.402 3.609 30 20 CHED Cc1cccc(OC[C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 539498986 ZOYGSLPSSUZUPR-HZPDHXFCSA-N 294.398 3.985 30 20 CHED C=CCOc1ccc(CC(=O)NC2(CC)CCCC2)cc1 452973059 JCNYLYGIALLXSW-UHFFFAOYSA-N 287.403 3.633 30 20 CHED CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CCCC1 610406612 GNXZXYIYMNTORP-CYBMUJFWSA-N 285.391 3.593 30 20 CHED CC(C)(C#N)CCCSCC(=O)OCc1ccccc1 279869100 GHCTZFGDAXKTNV-UHFFFAOYSA-N 291.416 3.793 30 20 CHED N#CC1(CN2CCC(c3c(F)cccc3F)CC2)CCC1 450769653 YAUNOZLGIAHXLY-UHFFFAOYSA-N 290.357 3.838 30 20 CHED Cc1ccc(F)cc1CNCc1ccc(C#N)c(Cl)c1 619749108 KJXJURCYVDWEBY-UHFFFAOYSA-N 288.753 3.949 30 20 CHED Cc1ccc(N(C)C(=O)CC(C)(C)C#N)cc1Cl 278396497 SSRIHACZQOGJHU-UHFFFAOYSA-N 264.756 3.551 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc([C@H]2C[C@H]3CC[C@H]2C3)no1 361025288 LTVWKLNAGVKXEO-KNPMLCFXSA-N 293.370 3.997 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H](C)C(C)(F)F)CCCC1(C)C 455777830 GVYCVYJTEXDPNU-NEPJUHHUSA-N 288.382 3.806 30 20 CHED CCCCCC[C@H](C)C(=O)Nc1cc(C)n(CCC#N)n1 271162842 WKLCEFOXFBOECL-ZDUSSCGKSA-N 290.411 3.650 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C1=CC[C@H](C)CC1 454898993 ABBCOGZHWFTFBK-HNNXBMFYSA-N 299.414 3.956 30 20 CHED C=C[C@@H]1OCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl 450763292 VWKHJQWJLLIZMK-ZJUUUORDSA-N 292.688 3.509 30 20 CHED CCCCCOc1ccc(Oc2nccc(C#N)n2)cc1 450213771 WSDYLONQSIFMEW-UHFFFAOYSA-N 283.331 3.710 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(Cl)cc1C 276302181 LTXNVAJGGNCIFT-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(C2CCC2)c1 360894355 TYNMJBDMQSOEFU-ZDUSSCGKSA-N 273.376 3.874 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2N(C)CC2(C#N)CC2)cc1 540552145 BYFGQNJDZUSRLF-DLBZAZTESA-N 268.404 3.867 30 20 CHED C=C(C)CCNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 452721417 ZYLVDOTZGYTNLX-GFCCVEGCSA-N 299.336 3.966 30 20 CHED C=C(CC)CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 456828293 LFVLIWGRHIOBOL-KGLIPLIRSA-N 263.768 3.526 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCOC3(CCCCC3)C2)C1 365800905 ZMGFIZPZVUHQOJ-PMPSAXMXSA-N 276.424 3.540 30 20 CHED Cc1cc(C)c2cc(CN(CCC#N)CC3CC3)[nH]c2c1 360870261 GEUWIPHWBOMHRG-UHFFFAOYSA-N 281.403 3.910 30 20 CHED C=C(C)CCNC(=O)c1cc(Cl)ccc1OC(F)F 452717770 MYMMWFIBYQSWKW-UHFFFAOYSA-N 289.709 3.637 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)N1CCC(CC#N)CC1 541916687 YWUVMQUGMZYKRL-JKSUJKDBSA-N 291.439 3.681 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1ccc(C#N)c(F)c1 361827077 BOXNZLKOUZKTML-ZDUSSCGKSA-N 280.346 3.644 30 20 CHED C=CCCC(C)(C)NC(=O)CCCOc1ccccc1 620863859 FPFJSRVIBXSNJW-UHFFFAOYSA-N 275.392 3.707 30 20 CHED C=C(CC)CNC(=O)N(C)Cc1ccc2ccccc2c1 455565517 WOUFRZFWARGMCB-UHFFFAOYSA-N 282.387 3.947 30 20 CHED C=CCOc1cccc(NC(=O)NCC(C)(C)C=C)c1 454569241 BAUNTTOYDVPAFI-UHFFFAOYSA-N 274.364 3.585 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(F)cc2C)no1)OCC 274012529 RLJNLECPNOVTPH-AWEZNQCLSA-N 290.338 3.708 30 20 CHED Cc1ccnc(NCc2ccc([C@H]3C[C@@H]3C)o2)c1C#N 541349694 YXTGLSMBWVLUMQ-AAEUAGOBSA-N 267.332 3.590 30 20 CHED Cc1ccccc1[C@@H]1CCN(CCC(C)(C)C#N)C1 271994268 FQZPSIXBJYETQZ-OAHLLOKOSA-N 256.393 3.724 30 20 CHED COc1cccc(-n2ccnc2S[C@H]2CC[C@@H](C#N)C2)c1 278653714 WLBSYLFMEOUCMR-DOMZBBRYSA-N 299.399 3.665 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 548618066 NIQGTULJJYSEIM-MNOVXSKESA-N 278.783 3.766 30 20 CHED C=CCCc1nc(Cc2cccc3ccc(OC)cc23)no1 545744955 KKYLOOQJUGZPGO-UHFFFAOYSA-N 294.354 3.941 30 20 CHED CCC[C@H]1CCCN(c2c(C#N)nnc3ccccc23)C1 466831124 LDZNBALAYPPCLL-ZDUSSCGKSA-N 280.375 3.518 30 20 CHED CC(C)(NCc1cc(C#N)ccc1F)c1cccs1 544471249 MUJDUHVSDHVPSX-UHFFFAOYSA-N 274.364 3.784 30 20 CHED C=CCN(C(=O)Cc1coc2ccccc12)C(C)(C)C 622945670 NICLEPWPLVZQJG-UHFFFAOYSA-N 271.360 3.788 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCc1ccc(OCC)c(Cl)c1 551338732 UJTTWUSQWJKIPW-GFCCVEGCSA-N 295.810 3.957 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCCCC(C)(C)C 553551966 WNILCVOIKPLYDO-GOEBONIOSA-N 281.440 3.690 30 20 CHED C=CCC[C@H](NC[C@H](O)c1ccc(C)o1)c1ccco1 285898003 CPJBAFVZZJFHFD-KBPBESRZSA-N 275.348 3.512 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(NC(=O)CC)ccc1C 460020778 NXJJLSRXIUUWLO-UHFFFAOYSA-N 288.391 3.884 30 20 CHED Cc1oc(C#N)cc1C(=O)NCc1ccc(C(C)C)cc1 280495024 CCKKMEOKWSQUSX-UHFFFAOYSA-N 282.343 3.513 30 20 CHED CCOc1cc2c(cc1N[C@@H]1CC[C@@H](C#N)C1)O[C@@H](C)C2 555948371 OUDIGPREDWOGHT-OUCADQQQSA-N 286.375 3.513 30 20 CHED C=CCOc1ccc(OC(=O)[C@]2(C#N)CC23CCCC3)cc1 295311175 OEDHTLVHKSLXDI-GOSISDBHSA-N 297.354 3.631 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCCC2(CCCCC2)C1 473799062 HASRAFDZJZSYAS-QGZVFWFLSA-N 293.451 3.788 30 20 CHED Cc1ccc(CCCOC(=O)CCCCCC#N)cc1 805697703 DYSWRCWGTUNEBM-UHFFFAOYSA-N 273.376 3.945 30 20 CHED CCCCOc1ccc(C(C)=NN[C@@H]2CCSC2)cc1 808001964 RXIFLXLYOOAVOK-OAHLLOKOSA-N 292.448 3.685 30 20 CHED C#Cc1ccc(CNCc2cccnc2OCCCC)cc1 809610805 FJKCIYVIKBYPQR-UHFFFAOYSA-N 294.398 3.532 30 20 CHED N#CCCCC(=O)NC1(c2ccc(Cl)cc2)CCCC1 291592048 YXQWPFCSOQOOEH-UHFFFAOYSA-N 290.794 3.919 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccc2occc2c1 802853027 OFRLBOHAVLLCFI-UHFFFAOYSA-N 281.267 3.563 30 20 CHED Cc1ccc2[nH]cc(C=NNCC3CCCC3)c2c1 808006655 ZTBHAACDFKDFKI-UHFFFAOYSA-N 255.365 3.590 30 20 CHED COc1ccc(NN=C[C@@H](C)C(C)(C)C)c([N+](=O)[O-])c1 800814813 ZLSGZSZGIOAOQF-SNVBAGLBSA-N 279.340 3.683 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 291622505 ALGAEKBCGLRMDB-ZDUSSCGKSA-N 282.727 3.789 30 20 CHED COc1ccc(C=NOC2CCCCC2)c(C)c1OC 807983580 QRTQQPMKPPPAGP-UHFFFAOYSA-N 277.364 3.695 30 20 CHED C=CCCC1(c2nc(-c3ncccc3CC)no2)CC1 565117167 BHNZXZZEXVVAGN-UHFFFAOYSA-N 269.348 3.692 30 20 CHED C[C@H](NC[C@H]1CC[C@@H](C)C1)c1ccc(C#N)c(F)c1 479555816 PGKYXTZJCSTWIW-AGIUHOORSA-N 260.356 3.784 30 20 CHED COc1ccc(OC(=O)CCCC#N)c(C(C)(C)C)c1 291242072 VDADJTQCOPCWJS-UHFFFAOYSA-N 275.348 3.592 30 20 CHED CC[C@H](CC#N)NC(=O)C(C)(C)c1cccc2ccccc12 295056234 YESLEATXYJXJEP-OAHLLOKOSA-N 294.398 3.926 30 20 CHED C#C[C@@H](Nc1cc(C)nc(C)n1)c1ccc(Cl)cc1F 804808935 XXNFIYPWIGSDRM-CQSZACIVSA-N 289.741 3.672 30 20 CHED CC[C@H](C)n1ncc(Nc2cccc(F)c2C#N)c1C 477696057 QWGGAFXHIAPVRG-JTQLQIEISA-N 272.327 3.917 30 20 CHED C#C[C@H](NCc1c(F)cccc1N1CCCC1)C(C)(C)C 809781397 QBSQQWRUAHHYBW-KRWDZBQOSA-N 288.410 3.563 30 20 CHED CC(C)(CC(=O)N[C@@](C)(C#N)CCc1ccccc1)C1CC1 293621987 HVMGJEURELLXDU-LJQANCHMSA-N 298.430 3.844 30 20 CHED CON(CC(C)(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 804585772 IBNBEWQDXMEBMR-UHFFFAOYSA-N 288.391 3.537 30 20 CHED CC1(Cc2noc(Cc3cccc(C#N)c3)n2)CCCC1 561942483 XACZYEJGZWUDHF-UHFFFAOYSA-N 281.359 3.655 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 294435033 QOSMELUVUCRTRI-UHFFFAOYSA-N 270.332 3.856 30 20 CHED C=C(C)[C@@H](NC(=O)NCC=C(C)C)c1ccc(F)c(F)c1 479776273 SUVDJDVWCPPWSJ-OAHLLOKOSA-N 294.345 3.847 30 20 CHED COc1ccncc1CON=C(C)c1cc2ccccc2o1 808245765 WTRQVRPZHOTTHT-UHFFFAOYSA-N 296.326 3.777 30 20 CHED CCCC[C@@H](C)C(C)=NN=c1cc[nH]cc1Cl 807977410 LYHYUQQHAUMLBL-SNVBAGLBSA-N 253.777 3.771 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)[C@H]1CCCC[C@@H]1C 487323943 SNWOXLCKTSXCHD-AAEUAGOBSA-N 276.405 3.661 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccc(C(C)C)cc1 814935664 UYJIDHZSUZTLKF-UHFFFAOYSA-N 267.319 3.638 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(Cl)c(N)c1 814787136 WPGPHMORBSQCRF-UHFFFAOYSA-N 284.750 3.630 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NOCCOC(C)C)C1 812237941 PDCAJRMHCCZFQF-OAHLLOKOSA-N 290.407 3.845 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CCCCC12CCCC2 812887042 HRCKSPSZNHDISQ-GFCCVEGCSA-N 270.804 3.541 30 20 CHED CO[C@](C)(C=NN[C@H](Cc1ccccc1)C(C)C)C1CC1 814906656 CXIJSKDMPZTAPV-QZTJIDSGSA-N 288.435 3.644 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)Cc1ccc(F)cc1 814419968 GBDOPEIKZOBZKM-CYBMUJFWSA-N 277.383 3.723 30 20 CHED C=CCC[C@H](CC)NC[C@@]1(C)OCCc2sccc21 562100919 WRYWQRRKWGKGRA-XJKSGUPXSA-N 279.449 3.870 30 20 CHED N#CCOc1ccc(CN2CC[C@@H](C3CCCC3)C2)cc1 817282516 FTNVZKBUIGSGDO-QGZVFWFLSA-N 284.403 3.601 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 486185493 HCXJKLVILOACEE-LBPRGKRZSA-N 290.329 3.554 30 20 CHED N#CCn1c(/C=C/c2cccc(F)c2)nc2ccccc21 485985691 ZHIVWNNHLCRHLX-CMDGGOBGSA-N 277.302 3.869 30 20 CHED Cc1nc(N2CC[C@H](Cc3ccccc3)[C@@H]2C)ccc1C#N 488119235 COLUFPHAQSABDV-DOTOQJQBSA-N 291.398 3.719 30 20 CHED C=C[C@H](CCC(=O)O)NCc1cccc(C2CCCC2)c1 656566696 SDHXKSLTNBBPQV-QGZVFWFLSA-N 287.403 3.853 30 20 CHED CCCCCNC(=S)NN=C(C)CCCCC 818260983 WMHPYSKTVJKEPI-UHFFFAOYSA-N 257.447 3.597 30 20 CHED CC(C)[C@H](C)N(C)Cc1ccc(C#N)cc1Br 480756594 ATNAFPQMYLIGJW-NSHDSACASA-N 295.224 3.797 30 20 CHED C[C@H](N[C@H]1CCC[C@H](F)C1)c1ccc(C#N)c(F)c1 577750637 OWSTZKBLHPRLCE-BPNCWPANSA-N 264.319 3.629 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCCc2occc21 814712868 QDWWHEWLIKXHRR-UHFFFAOYSA-N 299.399 3.615 30 20 CHED c1ccc([C@@H]2CCC(=NOCc3cccnc3)C2)cc1 814883917 HIAYMULRJCKVLY-MRXNPFEDSA-N 266.344 3.922 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1csc(C(C)(C)C)n1 488871079 PIVSTJMIXOYXDW-NSHDSACASA-N 278.421 3.621 30 20 CHED C=CCCCCCCCN1C(=O)CN(C2CCCC2)C1=O 811841364 CTTVHOVDWZIDJI-UHFFFAOYSA-N 292.423 3.720 30 20 CHED C[C@]1(c2ccccc2)CCC(=NNC[C@@H]2CCSC2)C1 811661220 GRJDWJXGEBINNC-YOEHRIQHSA-N 288.460 3.827 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)c1ccnc(O)c1 815642552 GDBGHPQXIZQWBW-UONOGXRCSA-N 262.397 3.963 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CC23CCCC3)cc1 571578206 GSBXYTJSTKOJIY-SJORKVTESA-N 296.414 3.852 30 20 CHED Cn1cc(CN(Cc2ccccc2)CC(C)(C)C)cc1C#N 483276697 AUQVZUNQEOCACE-UHFFFAOYSA-N 295.430 3.945 30 20 CHED CC[C@H](CC#N)NCCCc1ccccc1Br 578450813 MHBWKWDPOQMZGV-CYBMUJFWSA-N 295.224 3.664 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc2ccc(C)nc12 488866562 MEEMMGIRGZBTSO-OAHLLOKOSA-N 280.371 3.724 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc(O)c(C)c1 728232973 ZEPAXBUKVVVQHA-VURMDHGXSA-N 282.339 3.914 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(cc1O)CCCC2 818355554 HMXHQNXGKPMFAL-DVOMOZLQSA-N 284.403 3.614 30 20 CHED C=C(C)CONC(=O)Nc1cc(SC)ccc1Cl 824474789 SLVAWZOJKJYKBD-UHFFFAOYSA-N 286.784 3.691 30 20 CHED Cc1ccc([C@]2(C)CCN([C@@H]3CC[C@H](C#N)C3)C2)cc1 578848010 XAUJRXAZUSRHTP-CGTJXYLNSA-N 268.404 3.651 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 823894663 WCHVAMXXRYOOFA-KGLIPLIRSA-N 299.422 3.652 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)ccc1O 728230279 CNGGWDZWITVKLE-GQCTYLIASA-N 282.339 3.919 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2cc(C)ccc21 494410938 MFYZZMQDGYMEOE-WBVHZDCISA-N 284.403 3.732 30 20 CHED Cc1cc(C#N)cc(N2CCC[C@@H]2Cc2ccc(F)cc2)n1 587397015 QSSIGHMDEKHLOE-QGZVFWFLSA-N 295.361 3.612 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc3c(c2)CCCC3)c1 728482037 CPSKAFJUFGWWPG-UHFFFAOYSA-N 289.378 3.823 30 20 CHED O=C1/C(=C\c2sccc2Cl)Cc2c(O)cccc21 588601336 JXSNEKUBIAFORZ-FPLPWBNLSA-N 276.744 3.930 30 20 CHED Cc1nnc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(C#N)c1C 492329058 KMLQEEBHKFDLDO-QLFBSQMISA-N 284.407 3.736 30 20 CHED C[C@H](NCc1ccc(F)cc1C#N)[C@@H](C)c1ccccc1 495410660 YLLJNHLOEYWTRH-KGLIPLIRSA-N 282.362 3.979 30 20 CHED O=C1/C(=C2\COc3ccc(F)cc32)Cc2c(F)cccc21 729149176 GHRZEPQIAZOJST-BUHFOSPRSA-N 284.261 3.550 30 20 CHED C=CCN(CCc1ccco1)Cc1sccc1C 495202960 UGVRXTJVVXREEH-UHFFFAOYSA-N 261.390 3.880 30 20 CHED C=CC[C@H](C(=O)N(O)Cc1ccc(F)cc1)c1ccccc1 900094540 PDXODAPBUALFIV-KRWDZBQOSA-N 299.345 3.903 30 20 CHED C=CC[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2CC)C1 669099326 PRNPIVHZGMHXDZ-UONOGXRCSA-N 276.428 3.604 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)[C@@H](C)CC)cc1 589079650 PTKYXMZVEUFCJY-XEZPLFJOSA-N 272.392 3.612 30 20 CHED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OCCC#N)cc1 497218865 LSDIMMVXRMYEKB-GFCCVEGCSA-N 290.363 3.565 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C)c2ncccc12 490099612 FUCOJXJZFLLASY-UHFFFAOYSA-N 291.354 3.783 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(F)c(COC)c2)no1 664964981 UBBNYUQSASAHKY-UHFFFAOYSA-N 290.338 3.876 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc2cccnc2c1 823719789 VTHKEQYCSNOCSY-UHFFFAOYSA-N 255.317 3.743 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1c(C2CC2)cnn1C 668091004 XQFHNRLMIHDGRM-UHFFFAOYSA-N 295.430 3.876 30 20 CHED CC(C)n1cncc1/C=C\C(=O)c1ccc(C(F)F)nc1 901540786 CXKOYKMGZSBYHD-XQRVVYSFSA-N 291.301 3.693 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCC2(C#N)CC2)cc1 903101136 AUHCDDVUMOSDSX-CYBMUJFWSA-N 290.794 3.772 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@@H]1CCCCC1(F)F 664980465 PHRRKYINIOLEKE-LBPRGKRZSA-N 288.382 3.856 30 20 CHED CCC[C@H](C)C(=O)N(O)Cc1cccc2ccccc12 901368375 XMXHZWSJNADAQP-ZDUSSCGKSA-N 271.360 3.994 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@H]1CCCCC1(F)F 664980463 PHRRKYINIOLEKE-GFCCVEGCSA-N 288.382 3.856 30 20 CHED Cc1nc(Cl)c(Cl)cc1C(=O)OCC1(C#N)CCC1 837732307 KJUJIWSARRVFEO-UHFFFAOYSA-N 299.157 3.548 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1csc(Cl)c1 834998280 SHEUTDRJKDKCJY-ZCFIWIBFSA-N 270.707 3.666 30 20 CHED N#CC1(CCCCOc2ccc(Cl)nc2)CCC1 901534024 GLWNNZVIXOBVHR-UHFFFAOYSA-N 264.756 3.978 30 20 CHED CO[C@H](C/N=C/c1c(O)ccc2ccccc12)C(F)(F)F 733205350 SKXOCKQWTXCDAK-VLUPQXHSSA-N 297.276 3.542 30 20 CHED C#Cc1cccc(NC(=S)NC2C[C@@H](C)C[C@H](C)C2)c1 739461376 XJAZJARTFAAYKF-STQMWFEESA-N 286.444 3.779 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H](CC)[C@@H](C)O)cc1 834887352 ICKPFNDQSRRACG-ZENOOKHLSA-N 297.826 3.628 30 20 CHED CC(C)(C)[C@H](NC(=O)CCCCCC#N)C(F)(F)F 588934400 ZUKKLYOTUBBAPI-NSHDSACASA-N 278.318 3.554 30 20 CHED C=CCN(C(=O)NCCC1CCCCC1)C(C)C 918069438 WMPGGKXXGDTCOO-UHFFFAOYSA-N 252.402 3.563 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1ccncc1 916136243 JYTQVBKJSIIRPK-XQRVVYSFSA-N 260.296 3.526 30 20 CHED C=CC[C@H](NC(=O)C[C@H](C)CC(C)C)c1ccncc1 734456851 DMPGJHUXLSRPLX-ZBFHGGJFSA-N 274.408 3.887 30 20 CHED C#C[C@@H](NC(=O)C(C)=C1CCC1)c1ccc(Cl)cc1 832920061 PRWIEIGQDOZYIT-OAHLLOKOSA-N 273.763 3.631 30 20 CHED Cc1cc(C)c(C=NNc2ccc(F)cn2)c(C)c1 731319226 PNYXWIFSYRAQJI-UHFFFAOYSA-N 257.312 3.592 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)O[C@@H](C)C#N)cc1 738740871 ITVQGEVDPSEGOO-STQMWFEESA-N 259.349 3.759 30 20 CHED C=CC[C@H](NC(=O)N(C)c1ccc(F)cc1)c1ccncc1 734680733 UOWIEPJUPOGFFZ-INIZCTEOSA-N 299.349 3.684 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2ccsc2[nH]1 678881361 IBNRQGAUYPXQBF-JTQLQIEISA-N 262.378 3.704 30 20 CHED C=CCN(C(=O)Nc1ccccc1SC)C(C)C 916706087 DXVTUOLDTJAUEU-UHFFFAOYSA-N 264.394 3.837 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 593959218 RWYFRVCNMFHXMV-RVKKMQEKSA-N 298.430 3.774 30 20 CHED Cc1nnc(N[C@@H]2C[C@H]2c2ccccc2Cl)c(C#N)c1C 596496503 FIIHINATQQNZAX-SWLSCSKDSA-N 298.777 3.587 30 20 CHED COCC#CCN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C 678793718 KURGTNKIXHBRRO-OAHLLOKOSA-N 299.336 3.642 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C#Cc2cccs2)C1 832450087 BARNEXLHECHBQJ-RHSMWYFYSA-N 295.407 3.709 30 20 CHED O=C1/C(=C2/COc3ccc(F)cc32)CCc2ccccc21 918155156 RTPLIPGBZFFXAZ-PEZBUJJGSA-N 280.298 3.801 30 20 CHED Cc1cc(C(=O)OCc2cccc(C#N)c2)c(F)cc1F 748927539 PMFLCYNVZFXLMN-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c(O)c1C 834901796 BVKRXAJCPSVAIC-CYBMUJFWSA-N 298.361 3.871 30 20 CHED CCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1F 747877647 SNMWTLIEBUCJRE-UHFFFAOYSA-N 294.370 3.614 30 20 CHED Cc1cc([C@H](C)NCCc2ccc(C#N)cc2)oc1C 595056001 OLKBXYRHIJITGJ-ZDUSSCGKSA-N 268.360 3.661 30 20 CHED C=C(C)COC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 747521370 OGHJULYYZHZADR-STQMWFEESA-N 295.176 3.672 30 20 CHED C[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)[C@@H]1CCC[C@@H](C)C1 590839754 LGULHKYZXFCGPC-DLTWYDFYSA-N 291.439 3.536 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 594085242 VMBXLXZFGRVKQI-GWCFXTLKSA-N 298.308 3.727 30 20 CHED C[C@@H](COCC1CC1)Nc1ccc(C(F)(F)F)cc1C#N 593509206 UMVOFMFTIFQRHJ-JTQLQIEISA-N 298.308 3.804 30 20 CHED Cc1ccc(NC(=S)NN=C/C=C\c2ccccc2)cc1 915923315 LACGXYJNELDJLW-NQTKSXMBSA-N 295.411 3.981 30 20 CHED C=C(C)CNC(=S)Nc1ccc(OCCC(C)C)cc1 745180700 HXEQGLOQAKQIRO-UHFFFAOYSA-N 292.448 3.974 30 20 CHED CC[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1CCCCC1 590982008 CUXZWSAXGZWDJW-MAUKXSAKSA-N 288.435 3.936 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc(SC(C)C)cc1 594087207 BWMJTSARHUJPDW-CYBMUJFWSA-N 276.405 3.561 30 20 CHED CCn1cc(C(=O)/C=C/c2ccccc2C(C)C)cn1 848640230 JWIXOPCXDHXXTR-MDZDMXLPSA-N 268.360 3.923 30 20 CHED CCc1cccc2cc(CN(CCC#N)CCC#N)oc12 597075096 USLZJLZKMKTCLL-UHFFFAOYSA-N 281.359 3.625 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc2ccncc2c1 593057987 YSWRCBALUBDPLX-UHFFFAOYSA-N 295.386 3.637 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1cc(C)oc1C 916249430 MOTOEDYIHORVEK-UHFFFAOYSA-N 273.292 3.641 30 20 CHED C[C@H]1CC(C)(C)CN1C(=O)c1ccccc1SCC#N 840530874 CNEWXPRBSLOZKD-LBPRGKRZSA-N 288.416 3.563 30 20 CHED CC(C)(C#N)CCN1CCC2(C=Cc3ccccc3O2)CC1 595878764 OEDRRHQKNHMHFB-UHFFFAOYSA-N 296.414 3.867 30 20 CHED CCCOc1ccc(OC(=O)c2ccc(C#N)s2)cc1 749310780 MSDCSVCYUDFPMO-UHFFFAOYSA-N 287.340 3.628 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C\c2csnn2)cc1 915985403 UHRLFVIMXFFMAE-FPLPWBNLSA-N 272.373 3.633 30 20 CHED Cc1cc(C(=O)/C=C\c2c(C3CC3)cnn2C)c(C)s1 849243424 STBLKANKGFFWIJ-SREVYHEPSA-N 286.400 3.872 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc(CCO)c1 590780109 UIORRQQUPZIGAZ-LJQANCHMSA-N 292.382 3.583 30 20 CHED N#Cc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)cc1 593950857 BEIFKSPPXNKVLZ-UHFFFAOYSA-N 288.350 3.797 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1cccc2ccncc12 842772682 QZXTXHXDSGYYBX-GOSISDBHSA-N 299.370 3.620 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc3nc(C(F)(F)F)oc3c2)C1 592524736 ZMZYOVYCZJMJSR-RKDXNWHRSA-N 295.264 3.951 30 20 CHED CCCCCCC[C@@H](C)NCC(C)(C)C1(O)CCOCC1 841891161 VECANAQGWKOXNI-MRXNPFEDSA-N 299.499 3.893 30 20 CHED CCC(=NNc1ccc(Cl)nn1)c1ccc(CC)cc1 915938736 CGEVWLUJLCZEBY-UHFFFAOYSA-N 288.782 3.919 30 20 CHED CC1(C#N)CCC(NCCc2cc3ccccc3[nH]2)CC1 590647090 UWWSWMNPOCZTIF-UHFFFAOYSA-N 281.403 3.772 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)OCc1ccc(C#N)cc1F 920731341 VTOVCSKMEZPOQZ-JSGCOSHPSA-N 289.350 3.957 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(C(C)(C)O)cc2)c1 926549727 HHMWMTSWEAJMLJ-OAHLLOKOSA-N 293.410 3.746 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1snc(Cl)c1Cl 845917544 AZXMBOWABJSMRR-SSDOTTSWSA-N 293.219 3.925 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1coc(-c2cccs2)n1 924788619 OIMWMWRFQRLCJJ-LLVKDONJSA-N 289.404 3.821 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2c(c1)CCCC2=O 851204223 MPVNTLDKDFQPHM-GFCCVEGCSA-N 299.370 3.691 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)O[C@@H](C)CC(C)(C)C#N 851212121 QBFYALGAIJAOSK-LBPRGKRZSA-N 298.386 3.890 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCO[C@@H](C(C)C)C2)n1 924080476 WFAOHQIGMLVBNT-QWHCGFSZSA-N 278.396 3.842 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ncc(Cl)cn1 857220264 DRPXIVABPAVTMA-CMPLNLGQSA-N 264.760 3.520 30 20 CHED COc1ccc(C(=O)/C=C\c2c(F)cccc2F)c(O)c1 757472598 PJVLTNABSGEKME-FPLPWBNLSA-N 290.265 3.575 30 20 CHED Clc1ccc(NN=C2CCC[C@@H]2c2ccccn2)nc1 853438035 YPLACHWZVYHMQV-GFCCVEGCSA-N 286.766 3.866 30 20 CHED COC(=O)CCCCCCCNc1cccc(F)c1C#N 759709471 UKEPXOZSPSGEMO-UHFFFAOYSA-N 292.354 3.623 30 20 CHED C[C@H](C[C@H]1CCOC1)/N=C/c1c(O)ccc2ccccc12 759643619 NSLFHKCHASXKHC-NYSXYVASSA-N 283.371 3.779 30 20 CHED C#Cc1cccc(N(C)C(=O)C(C)=C2CCCC2)c1 753610800 OSMXUZWEYHQCTL-UHFFFAOYSA-N 253.345 3.521 30 20 CHED Clc1ccc(NN=C2CCC(=C3CCC3)CC2)nn1 853259593 JXIVBVQPPKANBT-UHFFFAOYSA-N 276.771 3.952 30 20 CHED N#Cc1ccccc1/C=C1/C(=O)Nc2ccc(Cl)cc21 755569316 HAWWGMLTALULGV-VGOFMYFVSA-N 280.714 3.704 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cc(OC)ccn1 925026189 DMVBZAAWAJPZNF-AWEZNQCLSA-N 298.386 3.506 30 20 CHED C=CCCC(=O)O[C@@H](CC)c1cc(OC)cc(OC)c1 851474915 YTNJRNWFIRVMFE-HNNXBMFYSA-N 278.348 3.664 30 20 CHED CS[C@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 921566367 UFOHOIZEUWLPOU-GJZGRUSLSA-N 260.406 3.839 30 20 CHED CCCOc1ccc(C=NOCC2CCC2)cc1OC 753820825 BGPUEXYWGJOMBD-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C[C@H](NN=Cc1ccc(N2CCCCC2)o1)c1ccccc1 920383182 TXMJJHWOWLCGNB-HNNXBMFYSA-N 297.402 3.955 30 20 CHED C[C@H](Cc1ccccn1)Nc1cccc(OCCCC#N)c1 925753535 BRFXPXXSQNKDAL-OAHLLOKOSA-N 295.386 3.807 30 20 CHED CCc1ncc(C=NNc2ccc3ccccc3n2)s1 752155594 RYHDVWULBYULSQ-UHFFFAOYSA-N 282.372 3.700 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 753995920 RQMRTBPBIWVUDG-URFUOSOHSA-N 299.345 3.871 30 20 CHED C#CC[C@@H](NCc1ccc(OC)c(F)c1)c1ccccc1 756995355 GUGBMLMEKRJKMY-QGZVFWFLSA-N 283.346 3.689 30 20 CHED CC#CC(=O)N(CC(C)C)[C@H](C)c1ccccc1Cl 855104886 AYDSJXAIFLNGOV-CYBMUJFWSA-N 277.795 3.909 30 20 CHED C=C(C)CN1CCC[C@H]1c1cncc(Br)c1 932245942 GIDJORAKXRJWIR-ZDUSSCGKSA-N 281.197 3.557 30 20 CHED COc1cc(C(C)=NOCC2CCC2)ccc1OC(F)F 753822138 MKDRWMVFBWDLRP-UHFFFAOYSA-N 299.317 3.837 30 20 CHED C#CCCOC(=O)Oc1cc(C(F)(F)F)ccc1Cl 858882267 OAIILCMVXWVZLV-UHFFFAOYSA-N 292.640 3.898 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 931027447 LAPHFDXPAFBTBX-HNNXBMFYSA-N 284.403 3.898 30 20 CHED FC(F)(F)c1ccccc1ON=C1CCSCC1 754724910 PNFOOXGONUWQPK-UHFFFAOYSA-N 275.295 3.967 30 20 CHED Fc1ccc(-c2nc(C=NOCC(F)F)cs2)cc1 758904801 XSIWPLLNWBRBQC-UHFFFAOYSA-N 286.278 3.565 30 20 CHED C#CCN(C(=O)Nc1c(F)cccc1SCC)C(C)C 931501295 WWRNKTDPYGYHBS-UHFFFAOYSA-N 294.395 3.813 30 20 CHED C#C[C@@H](OC(=O)CCCC(F)(F)F)c1ccc(C)cc1 860963696 BDHYLVIHMMMWMK-CYBMUJFWSA-N 284.277 3.945 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@](C)(C#N)C(C)C 931295095 YYWHOULHKUVKPK-MRXNPFEDSA-N 276.380 3.554 30 20 CHED C#C[C@@H](OC(=O)C[C@@H](OCC)C(=C)C)c1ccc(C)cc1 860964821 XLLLERNKYHLETE-IAGOWNOFSA-N 286.371 3.584 30 20 CHED CC(C)(C(=O)OCCCCC#N)C1CCCCC1 767042567 OVPXDNYUDCPIJK-UHFFFAOYSA-N 251.370 3.830 30 20 CHED FC(F)C1CC(=NNc2cccc3cnccc23)C1 766021726 LQAXDUUTUBODKY-UHFFFAOYSA-N 261.275 3.678 30 20 CHED C=C(C)CCOC(=O)c1cnc(-c2ccccc2)nc1C 766383481 SNTIAYHQIAUWKM-UHFFFAOYSA-N 282.343 3.575 30 20 CHED C=C[C@H](C)ON=C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 863123340 FVMXYCLULJPAFJ-BBRMVZONSA-N 296.411 3.601 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCCc2sccc21 767335874 BPDFJXFARSCMLQ-RKPNYOAGSA-N 257.358 3.950 30 20 CHED CC(C)(C)c1ccc(C#N)c(Oc2cccnc2F)n1 767194280 BYRIGVLRMOBPBC-UHFFFAOYSA-N 271.295 3.577 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H](F)c1ccccc1 768874349 YQJUYBAOOKTFQY-CQSZACIVSA-N 277.339 3.960 30 20 CHED CN(Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1F 1116227515 KCFULHHQVUNZMM-UHFFFAOYSA-N 293.345 3.811 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](F)c1ccccc1 769469282 KUOVXXLZCYZJIE-CQSZACIVSA-N 276.355 3.676 30 20 CHED C=CC[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccncc1 766018205 GJZAVRKZCNFXEH-RDTXWAMCSA-N 294.398 3.985 30 20 CHED C=CCOCCN1C[C@@H]2CCCC[C@]21c1ccccc1 1117788116 HFCVSEHIOQFULI-ROUUACIJSA-N 271.404 3.590 30 20 CHED C[C@@H]1CCCC1=NNCc1cnc2ccccc2c1 764788036 IHTPZIPMMRUVMR-GFCCVEGCSA-N 253.349 3.500 30 20 CHED C=C[C@](C)(CC)c1nnc(COc2ccccc2OC)o1 1118423350 JBZMPPGWOZBWHR-MRXNPFEDSA-N 288.347 3.511 30 20 CHED CC(=NOCC(F)(F)F)c1csc(C(C)C)n1 768784626 RYCPPZHMHZMZJT-UHFFFAOYSA-N 266.288 3.569 30 20 CHED CCCCCCCNC(=O)N1CCCC[C@H]1c1cc[nH]n1 875764353 HVYWNOHVGXEWIC-HNNXBMFYSA-N 292.427 3.617 30 20 CHED C#CC[C@@H](NCc1ccncc1Cl)c1ccccc1 775398321 GHIMZEYTTHPVSF-MRXNPFEDSA-N 270.763 3.589 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 1116545959 PENLXVABPKSYCX-INIZCTEOSA-N 282.318 3.578 30 20 CHED CC(C)N(C(=O)Cc1ccccc1CC#N)C1CCCCC1 776873184 NNYRVDCAJYKGJF-UHFFFAOYSA-N 298.430 3.865 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(Br)cc1F 877045977 HRRQJEDZRHQEME-JTQLQIEISA-N 299.187 3.618 30 20 CHED Clc1ccnc(NN=Cc2cccc3[nH]ccc23)c1 777905335 HAEPKRVCZNMYNM-UHFFFAOYSA-N 270.723 3.662 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCc2c(Cl)cccc21)c1ccccn1 776076170 KXBLLJOEZLBBON-KGLIPLIRSA-N 296.757 3.641 30 20 CHED C=CCCCCNC(=O)c1nc(-c2cccs2)oc1C 770082727 QHYDLAPUWZAQDR-UHFFFAOYSA-N 290.388 3.798 30 20 CHED C[C@@H]1C[C@@H](C(=O)O)CCC1=NNc1ccccc1Cl 1117739907 TWSKOIXPHWQZCU-ZJUUUORDSA-N 280.755 3.629 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CC1CCC1)c1ccccc1 778671600 LJVJZOQPJBNDMI-HNNXBMFYSA-N 292.810 3.970 30 20 CHED C[C@H](OC(=O)[C@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 776514807 ALBYRYXTHGGRHA-XUJVJEKNSA-N 257.333 3.599 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1ccc(OCC)cc1 877952755 WQAYGBLRGNXIQB-UHFFFAOYSA-N 275.392 3.646 30 20 CHED C=C(Cl)CN[C@@H](C)[C@H](OC)c1ccccc1Cl 778245925 IGSDDJDJPWQCIK-GWCFXTLKSA-N 274.191 3.758 30 20 CHED C#CC[C@H](N[C@@H]1C[C@H](OCC)C1(C)C)c1ccccc1 776172017 REDSNIPCAGVEFG-BBWFWOEESA-N 271.404 3.544 30 20 CHED C#CCOc1cccc(Cl)c1CNCc1ccsc1 778156154 ODKYQPGTMBVFEK-UHFFFAOYSA-N 291.803 3.703 30 20 CHED CCCCCCC(=O)OCc1cc(C#N)ccc1OC 772263417 OSCUYWCVDASPOL-UHFFFAOYSA-N 275.348 3.580 30 20 CHED Cc1ccc(CC(=NOC2CCOCC2)C(C)C)cc1 774435919 LMIZJISGXXBCLO-UHFFFAOYSA-N 275.392 3.745 30 20 CHED CC(C)CN(CCC#N)Cc1cc(F)cc(Cl)c1 777217959 XJPZTSWAOBCEGG-UHFFFAOYSA-N 268.763 3.851 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1CCCCCC1 1127957764 OVJAOGOLJMOYGX-KBXCAEBGSA-N 288.435 3.936 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CCOC2(CCC2)C1 889696304 HSSOQMUFACXOLL-OAHLLOKOSA-N 281.440 3.812 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2cccc(F)c2C#N)c1 777678733 XOZZRXGUQLARJG-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)[C@H]1CCCOC1 779774119 BBJDFKGPIMPGQH-JTQLQIEISA-N 270.735 3.694 30 20 CHED C=C1CCC(C(=O)N2CCC[C@H](OCCC)CC2)CC1 888861339 QRFDSIYPAGFXLR-INIZCTEOSA-N 279.424 3.541 30 20 CHED C[C@H](N[C@@H]1CCc2ccc(Cl)nc21)c1ccc(C#N)cc1 788563107 KZROAJATGZDLLB-XHDPSFHLSA-N 297.789 3.945 30 20 CHED CC1CC(C#N)(C(=O)OC/C=C/c2ccc(Cl)cc2)C1 787747371 YGMDOABHOIPGGA-NSCUHMNNSA-N 289.762 3.836 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1nc(O)c2ccccc2n1 783856091 WXFKRLZKWVXWSG-RYUDHWBXSA-N 284.363 3.559 30 20 CHED Fc1cc(NN=C2COCc3ccccc32)ccc1Cl 782243520 YHUNCGOKFHSTFZ-UHFFFAOYSA-N 290.725 3.826 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNCCc1ccncc1 789098292 RZYFNSTUBDVRLA-UHFFFAOYSA-N 295.430 3.958 30 20 CHED Cc1cc(Cl)cc(C)c1OC(=O)CC(C)(C)C#N 781863896 WWRYJAUFWHLWTA-UHFFFAOYSA-N 265.740 3.802 30 20 CHED N#CCCNC(=O)Nc1ccc(-c2ccccc2)cc1F 785675844 JPEICUBHXJFTJI-UHFFFAOYSA-N 283.306 3.528 30 20 CHED C=C1CC(c2noc([C@@H](C)Oc3ccc(F)cc3)n2)C1 896889250 FINFFZNPTDQFLY-SNVBAGLBSA-N 274.295 3.782 30 20 CHED C=CCCc1ccccc1NC(=O)c1cc(CC)on1 890430094 XPMSVYJXRCPUJK-UHFFFAOYSA-N 270.332 3.608 30 20 CHED C[C@@H](CC(=O)OCc1ccc(C#N)cc1Cl)C1CC1 784210577 WLPYCVPCXFZMBC-JTQLQIEISA-N 277.751 3.691 30 20 CHED C#CCC1(C(=O)NCCSC(C)(C)C)CCCCC1 788201147 RZUKLAWNDDQISG-UHFFFAOYSA-N 281.465 3.608 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2scnc2C2CC2)c1 782347105 HQVRPOGVVAJPSB-SREVYHEPSA-N 285.368 3.931 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc2ccccc2[nH]1 788422933 ZJRKYRIAICNNRK-UHFFFAOYSA-N 288.354 3.962 30 20 CHED C#CCCCCC(=O)N(CC(C)(C)C)c1ccccn1 891496392 OKEMVVZGBCYUOL-UHFFFAOYSA-N 272.392 3.654 30 20 CHED COc1cc2ccccc2cc1C(=O)OCC(C)(C)C#N 781477190 WAWIKMNPUDYXQX-UHFFFAOYSA-N 283.327 3.555 30 20 CHED Cc1cccc(C(=O)/C=C/c2cn3cc(C)ccc3n2)c1 789130448 OPZCSUCJALJQOU-BQYQJAHWSA-N 276.339 3.847 30 20 CHED C=CCCCOC(=O)c1ccc(Cl)c(N)c1Cl 786637504 NXCUXYFVYVFWLQ-UHFFFAOYSA-N 274.147 3.699 30 20 CHED CCCCCCCCCN(C)C(=O)Cc1ncccc1F 792079753 VIZAWAHFHNROPU-UHFFFAOYSA-N 294.414 3.972 30 20 CHED CC[C@@H](C)CCC(=O)OCc1cc(C#N)ccc1F 797099002 IQPBBEKGUQHOPY-LLVKDONJSA-N 263.312 3.567 30 20 CHED C=CCCCCCOC(=O)c1ncccc1Br 796098470 HPUPKSDNWYISGQ-UHFFFAOYSA-N 298.180 3.747 30 20 CHED CCO[C@@H]1CC(=NNc2ncccc2C)C1(CC)CC 790191135 RWTIMWOOSCLRLB-CQSZACIVSA-N 275.396 3.773 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(F)cc1)C2 794960545 CXVUQUFOBMBLCV-NTUHNPAUSA-N 298.313 3.665 30 20 CHED CC[C@H](C)COC(=O)c1ccc(C(C)(C)C#N)cc1 796037032 ROSTZJOUWDTTDI-LBPRGKRZSA-N 259.349 3.691 30 20 CHED CCOc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1 799292491 DCMCDXDFTBDIIF-UHFFFAOYSA-N 280.327 3.518 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(Cl)nc1Cl 794716085 XOHJTPWCNWXCIM-OWOJBTEDSA-N 276.126 3.825 30 20 CHED Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1C#N 799297133 KGDQGDDEDRSSOF-UHFFFAOYSA-N 299.399 3.873 30 20 CHED COc1ccc(C=NN[C@H](C)C(C)(C)C)cc1Cl 793115033 KGBJLQQPOZZKLJ-SNVBAGLBSA-N 268.788 3.707 30 20 CHED Cc1ccoc1C/N=C/c1cc(Br)ccc1O 793653866 IZFLMMMVBOLORS-VIZOYTHASA-N 294.148 3.675 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)COc2cc(F)ccc21 794728568 RSCYKFKQMPJQAK-YHYXMXQVSA-N 290.240 3.763 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1cccnc1)C2=O 798232645 YVVMRJBYHMIDAN-ZSOIEALJSA-N 253.326 3.720 30 20 CHED CCCCCCCN[C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C 792891099 YSHTWIAGSDMWFN-SOUVJXGZSA-N 269.429 3.524 30 20 CHED COCCC1(C=NNc2ncccc2F)CCCCC1 794985930 WFCNLGRRRYQKNY-UHFFFAOYSA-N 279.359 3.605 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCC(F)(F)F 63101068 PQXNBBGSVSBOCL-UHFFFAOYSA-N 282.187 3.941 30 20 CHED C#CCN(Cc1ccccc1C(F)(F)F)C(C)C 746148113 SNJCRUSATDWWFA-UHFFFAOYSA-N 255.283 3.549 30 20 CHED CC[C@H](C)[C@@H](C)N(Cc1ccc(C#N)c(OC)c1)C1CC1 1308616432 VPVXXKBVFHIQEO-UONOGXRCSA-N 286.419 3.966 30 20 CHED COc1ccc2cc(C(=O)N[C@@H](C#N)CC(C)C)ccc2c1 1318217862 YPTYRGLIRMBJCX-MRXNPFEDSA-N 296.370 3.516 30 20 CHED CCN(C[C@H](O)c1ccc(C#N)cc1)c1ccc(F)c(C)c1 1175965676 OPBALMDTHCQMQW-SFHVURJKSA-N 298.361 3.566 30 20 CHED CCC[C@@H]1C[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)CCO1 1327796427 PYHIHKPTFWHARI-LSDHHAIUSA-N 297.358 3.671 30 20 CHED CC(C)[C@@H]1CCC[C@@H](Nc2ncccc2C#N)CC1 1642600572 PFWOPGZYKJPQAZ-UKRRQHHQSA-N 257.381 3.970 30 20 CHED C=C[C@H](COC)N[C@H](CC)c1cccc(Cl)c1 1320306123 MNMINUIINSOJFS-ZIAGYGMSSA-N 253.773 3.582 30 20 CHED Cc1cc(-c2nnc(-c3cccc(C#N)c3)o2)c(C)s1 1328429365 MUHTWLGAXCNCSH-UHFFFAOYSA-N 281.340 3.954 30 20 CHED CC[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(C)c2)C1 1657254190 OHVQSFGDVNKHMU-RHSMWYFYSA-N 256.393 3.925 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1181365452 GCRMOUAHBMXMEL-LSDHHAIUSA-N 276.424 3.793 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc2oc(C)nc12 1331362155 JTNYHBCAAVRUDM-UHFFFAOYSA-N 258.321 3.677 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)Nc2ncc(C#N)cc2F)C1 1186713197 KBHUDHPHZORDJA-GMXVVIOVSA-N 261.344 3.719 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 1337182003 BNYTWXBAGIPDFS-HNNXBMFYSA-N 286.419 3.820 30 20 CHED C=CCN(C(=O)Cc1coc(-c2ccccc2)n1)C(C)(C)C 1334831155 BOJNHIRGFAZPLM-UHFFFAOYSA-N 298.386 3.697 30 20 CHED CCN(C(=O)/C=C(\C)c1ccccc1Cl)[C@H](C)C#N 1261755429 FDCFTBVJFPWJKX-LMMOQWNQSA-N 276.767 3.504 30 20 CHED C=CCCCc1nnc(-c2cccc(OC(F)F)c2)o1 1349947811 YWBWXAZXWAYVGA-UHFFFAOYSA-N 280.274 3.847 30 20 CHED C=CC(C)(C)COC(=O)c1ccc2cnccc2c1 1348217792 OXUFFTJNMTVFAV-UHFFFAOYSA-N 255.317 3.604 30 20 CHED CC(C)(C)SCCCOC(=O)c1ccc(C#N)cc1F 1263436865 FSQMNCWDQOMCOG-UHFFFAOYSA-N 295.379 3.776 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cc(-c3ccccc3)ccn2)C1 1263417601 JNOJDDMPEFOZFD-CZUORRHYSA-N 292.338 3.598 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc2ccccc2c1 1262655201 FGKWFPCFPSCNIE-MRXNPFEDSA-N 280.371 3.806 30 20 CHED CCCOc1cccc(NC(=O)c2csc(C#N)c2)c1 1264487882 VBGUQUHODXZLBS-UHFFFAOYSA-N 286.356 3.661 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1csc2ccccc12 1340891911 KRLIKIAKTGTDOH-LLVKDONJSA-N 272.373 3.666 30 20 CHED Cc1cc(F)c(C(=O)Nc2cc(C#N)ccc2C)c(F)c1 1435384965 LDMIEKKHJNNOAV-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C=C(Cl)Cn1c(C)nnc1N(C)[C@@H](C)C1CCCCC1 1359143936 RWWCTBSVLMOKTH-LBPRGKRZSA-N 296.846 3.744 30 20 CHED N#Cc1sccc1C(=O)NCC1CCCCCCC1 1351065472 NVASRFZYVGTAAU-UHFFFAOYSA-N 276.405 3.710 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2C#N)c1 105791489 PGCIECOSLRFUNU-UHFFFAOYSA-N 272.235 3.706 30 20 CHED CCC[C@H](CC(C)C)C(=O)O[C@@H]1CC[C@H](C#N)C1 1357677010 PQCZZASXIQHUAC-BFHYXJOUSA-N 251.370 3.684 30 20 CHED Cc1cc(C)c(CCNc2snc(C)c2C#N)c(C)c1 1458277230 CKDNGLHFRCGUCV-UHFFFAOYSA-N 285.416 3.903 30 20 CHED Cc1csc(NC(=O)c2cccc3ccncc23)c1C#N 1520916668 RNVBXYQCESWGBQ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCc1ccc(F)cc1C(=O)N(C)c1cccc(C#N)c1 1528107394 IZSBIXUQOIORSL-UHFFFAOYSA-N 282.318 3.536 30 20 CHED CC(C)(CC=NNc1ccc(Cl)cc1Cl)C(=O)O 1603591567 NUGAECYBXUQUIV-UHFFFAOYSA-N 289.162 3.892 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[C@@H](C)C1 1464913139 QKROUSNOPDXYGU-VNHYZAJKSA-N 285.391 3.895 30 20 CHED Cc1c(F)cc(C(=O)O)cc1O[C@@H](C)c1cccc(C#N)c1 1607533307 WGJHHPSWIMSBSM-NSHDSACASA-N 299.301 3.844 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCC1(C)CC1 1616421518 IYGGAOHBTRXLQH-UHFFFAOYSA-N 264.413 3.745 30 20 CHED N#Cc1ccc(Cl)cc1OCc1cnc2ccccc2n1 1613640368 VXNDNSAXMFFJFH-UHFFFAOYSA-N 295.729 3.734 30 20 CHED N#Cc1cnc(NCC2CCCCC2)c(Br)c1 1472642018 NNUDEZLCWMBNTC-UHFFFAOYSA-N 294.196 3.708 30 20 CHED CCN(C[C@H](C)CSc1ccccc1C)[C@@H](C)C#N 1473669622 RSWNOZIWVVXCPI-ZFWWWQNUSA-N 276.449 3.957 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(CC#N)cc1)C[C@@H](C)O2 1473214637 YQLRBDNSGNCDGD-OAHLLOKOSA-N 292.382 3.849 30 20 CHED C[C@H](NCc1cc2ccccc2n1C)c1cccc(C#N)c1 1621066835 BYZHTYSBENZLGT-AWEZNQCLSA-N 289.382 3.901 30 20 CHED CN(CCC(C)(C)C)c1snc(Cl)c1C#N 1559221399 KIBHQWZOEXZVJJ-UHFFFAOYSA-N 257.790 3.541 30 20 CHED Cc1c([C@@H](C)NCc2cccc(C#N)n2)oc2ccccc12 1621251080 ZJSUGJUEPMGMEK-CYBMUJFWSA-N 291.354 3.859 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 5128000 RVQPIBLKECMDSH-XBXARRHUSA-N 280.323 3.662 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 19962424 MCASIACAHKQZET-AWEZNQCLSA-N 250.345 3.718 30 20 CHED C=CCC[C@@H](Nc1nc(C)cc(C(=O)O)n1)c1ccccc1 1588779045 RGYMBZMSDWGJAN-CQSZACIVSA-N 297.358 3.603 30 20 CHED CN(CC1(CC#N)CC1)[C@@H]1CCC[C@H]1c1ccccc1 1654690957 AAELDCKBTAHDDC-DLBZAZTESA-N 268.404 3.948 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(C#N)c(F)c1 1596289105 PSKANTXKUNSGST-CYBMUJFWSA-N 296.345 3.823 30 20 CHED CC(C)(CCC#N)CNc1cc(C(=O)O)cc2cccnc12 1590656317 OBOYPMVHVKGJRZ-UHFFFAOYSA-N 297.358 3.675 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)Nc1ccc(C#N)cc1 1672412032 HHKOMCLDNQTMIO-MRXNPFEDSA-N 285.391 3.991 30 20 CHED C[C@H]1CCC(F)(F)CCC1=NNc1cccc(C(=O)O)c1 1776038319 DFCJTKWAANZSHD-JTQLQIEISA-N 296.317 3.998 30 20 CHED O=C(O)c1ccc(NN=Cc2ccsc2Cl)cc1F 1776075096 NGYKIKDRAGFYHA-UHFFFAOYSA-N 298.726 3.685 30 20 CHED CC(C)[C@H](NCc1ccc(C#N)o1)c1ccc(F)cc1F 150874842 OZJDNXMJWHCEGS-INIZCTEOSA-N 290.313 3.916 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(F)cc1F 206083656 AGVZWFLQXFNMIS-TWGQIWQCSA-N 274.266 3.870 30 20 CHED CCN(Cc1ncc(-c2ccccc2)s1)C[C@@H](C)C#N 157749105 GPRGOHRQVXCEBU-ZDUSSCGKSA-N 285.416 3.792 30 20 CHED C=CCOc1ccc(/C=C\c2ncc(C(=O)O)s2)cc1 207207946 ONXQERGVZAURMW-YVMONPNESA-N 287.340 3.577 30 20 CHED C=CCn1c(SC[C@@H](C)CC)nnc1-c1ccncc1 154294410 HKABCDOFXHAQNC-LBPRGKRZSA-N 288.420 3.664 30 20 CHED COc1ccc([S@](=O)CCCCC(C)(C)C#N)cc1 234895708 SCTCJHZHEMLRLO-LJQANCHMSA-N 279.405 3.523 30 20 CHED CC(C)c1ccccc1C(=O)N1CCC[C@@H](CC#N)C1 855257243 YEVUNJTZISEYBW-AWEZNQCLSA-N 270.376 3.576 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1F 126917367 GCOVSVUQXRMACD-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)[C@@H]1C[C@H]2CC[C@H]1C2 251458536 CMIBBLBKTLHAMH-VOAKCMCISA-N 258.340 3.934 30 20 CHED CC(C)CCCCCCNC(=O)c1ccc(C#N)cc1 29432777 FLEQDDATMNTBSI-UHFFFAOYSA-N 272.392 3.895 30 20 CHED CC(C)CC[C@H](C)NCc1cccc(OCC#N)c1 37218505 NUMNNRLNGPOPDA-AWEZNQCLSA-N 260.381 3.503 30 20 CHED CCCC[C@H](CCC)NC(=O)C1(C#N)CCCCC1 177652492 OYDDQCNUUWCIMN-AWEZNQCLSA-N 264.413 3.936 30 20 CHED C=CC1CCN(c2ccc(Br)c(C)n2)CC1 302107696 YDNOPILFDNWERL-UHFFFAOYSA-N 281.197 3.555 30 20 CHED C=CCCC[C@H](C)NCc1occc1Br 308881468 ULYOKCYCOWPIKM-JTQLQIEISA-N 272.186 3.877 30 20 CHED C=C(C)CCN(C)[C@@H]1CCCN(Cc2ccccc2)C1 509670852 AMDQVKBHPJMGTQ-GOSISDBHSA-N 272.436 3.549 30 20 CHED C=CCCCCCN1CCC(=O)N(C)c2ccccc21 579217676 WCLWKZRWGSQFQF-UHFFFAOYSA-N 272.392 3.606 30 20 CHED C=CCCCCCCNc1nnc(C)c(C)c1C#N 382240104 XRHOXTFGFOUDHO-UHFFFAOYSA-N 258.369 3.514 30 20 CHED CC[C@H](Nc1cccc(OCC#N)c1)C1CCCC1 387587598 RNSCKDOVSIJDOT-INIZCTEOSA-N 258.365 3.970 30 20 CHED CCON=C([C@@H](C)OCc1ccccc1)C(F)(F)F 811637482 ZDKYQLXQPAERSN-SNVBAGLBSA-N 275.270 3.547 30 20 CHED C=CCCOC(=O)Cc1c(Cl)cccc1Cl 729073294 OFHKTIBOOQLDIU-UHFFFAOYSA-N 259.132 3.655 30 20 CHED C=C(C)CN(Cc1ccccc1)Cn1cc(Cl)cn1 794651010 QDYNVKOHRVEIFI-UHFFFAOYSA-N 275.783 3.572 30 20 CHED C[C@@H](CC(=O)Oc1ccc(C#N)cc1)c1ccccc1F 102600510 LGBCMNUIHFTLNE-LBPRGKRZSA-N 283.302 3.797 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 56541481 VMEYLNWMZFFGSR-UHFFFAOYSA-N 293.326 3.658 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)C1CCCCC1 52338269 LPXIZDMIVJNPKG-GFCCVEGCSA-N 260.356 3.756 30 20 CHED CC[C@@H]1CCc2ccccc2N1C(=O)c1cccc(C#N)c1 177663117 IPEFFUDUKJAAET-QGZVFWFLSA-N 290.366 3.930 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(C#N)cc1 55769237 LXFKMJSSNWJIFA-UHFFFAOYSA-N 294.354 3.906 30 20 CHED N#Cc1cccc(SCc2nc(C3CCCC3)no2)c1 119696041 JCQKNWBWNWFCIE-UHFFFAOYSA-N 285.372 3.891 30 20 CHED C=C[C@@H](CC(=O)OCCCSC)c1ccccc1 179224147 HLSPELXTDHYXBW-ZDUSSCGKSA-N 264.390 3.643 30 20 CHED Cc1c(C(=O)/C=C/c2csc3ccccc23)cnn1C 179850194 KWUIWGSPUXJMSN-BQYQJAHWSA-N 282.368 3.839 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1C(F)(F)F 117005854 REMDKMKPFUPPEJ-QMMMGPOBSA-N 290.260 3.931 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc2c(c1)CCCC2 60791333 LXXIBSKPNGDQFQ-UHFFFAOYSA-N 271.404 3.533 30 20 CHED C=C(C)CSCCC(=O)Nc1ccccc1Cl 177872350 YKFBPVSNBDHVSW-UHFFFAOYSA-N 269.797 3.978 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 174086745 BIUHTTGLHPQRLI-MSOLQXFVSA-N 298.430 3.768 30 20 CHED C=C(C)CNc1nc(-c2ccc(NC(C)=O)cc2)cs1 66938812 VZONBWOHUCNEMS-UHFFFAOYSA-N 287.388 3.757 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1c1c(C#N)cccc1C#N 302891961 PWBMJJWRWHLDKA-KBXCAEBGSA-N 287.366 3.812 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Cc1ccccc1F 65775631 QQLUMTPKLNLFDY-UHFFFAOYSA-N 297.373 3.626 30 20 CHED Cc1ccc(CC/N=C(/N)Nc2ccc(C)c(C)c2)cc1 304761723 UTYRFERRUOOHGI-UHFFFAOYSA-N 281.403 3.581 30 20 CHED COc1cccc(CCCOc2cccc(C#N)c2)c1 303818621 FCPPCVBIXGUEGG-UHFFFAOYSA-N 267.328 3.578 30 20 CHED C=CCCC(=O)NCC(CC)(CC)c1ccccc1 173394267 XYZGBNBMIONJEP-UHFFFAOYSA-N 259.393 3.827 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ncc(CC)s1 173060133 AJOTVZNIHINTDN-UHFFFAOYSA-N 288.372 3.523 30 20 CHED CN(CC[C@H]1CCCO1)c1ccc(C#N)c(C(F)(F)F)c1 302721921 POTNAPMOZBTJIQ-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C[C@@H](SC(=S)N1CCCC1)c1ccc(C#N)cc1 118173034 JCHGKQOKVWWARQ-LLVKDONJSA-N 276.430 3.733 30 20 CHED N#Cc1ccc(NCCCSc2nccs2)cc1 114450348 XYGDLGKKJHGTBG-UHFFFAOYSA-N 275.402 3.609 30 20 CHED C=C(C)CCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 1342591310 LESUOSAYFDIUCT-LLVKDONJSA-N 288.347 3.968 30 20 CHED N#CCN(C(=O)c1cc2cc(F)ccc2o1)c1ccccc1 172064971 WDVRFHQWZWGYKK-UHFFFAOYSA-N 294.285 3.742 30 20 CHED Cc1csc([C@@H](NCc2ccccc2C#N)C2CC2)n1 179093482 REDNFWWQWFDPPG-HNNXBMFYSA-N 283.400 3.564 30 20 CHED C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1cccc(F)c1 172968464 REWCBHZXHPGVEZ-JTQLQIEISA-N 286.281 3.579 30 20 CHED C=CCOc1ccc(CN[C@@H](C)CCc2ccco2)cc1 20563146 JHIYATGMMGTEDL-HNNXBMFYSA-N 285.387 3.955 30 20 CHED CCN(CC)c1ccc(CNc2ccc(C#N)cc2F)cn1 301148819 NMADVOPSCQEZFB-UHFFFAOYSA-N 298.365 3.551 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 303049133 IUFCNDKFNZRNDO-ULQDDVLXSA-N 299.389 3.614 30 20 CHED CCCCCCCC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 123499277 VBALKXOCGFNOMO-JKSUJKDBSA-N 291.439 3.653 30 20 CHED C=CCCSc1nnc(-c2ccc(Cl)cc2)[nH]1 128645377 IJSALMMPMYTBBA-UHFFFAOYSA-N 265.769 3.793 30 20 CHED C=CCCCC(=O)Nc1cc(OC)c(Cl)cc1OC 177469407 YSISWBPXHHSGMY-UHFFFAOYSA-N 283.755 3.652 30 20 CHED Cc1cnc([C@H](Nc2ccc(C#N)cc2)C2CC2)s1 301445971 JUQTZOMVDZVQIT-CQSZACIVSA-N 269.373 3.886 30 20 CHED C#Cc1cccc(N(C)Cc2cn3cc(Cl)ccc3n2)c1 303230557 YHLVEQZVEVNSPC-UHFFFAOYSA-N 295.773 3.605 30 20 CHED N#Cc1ccc(NC[C@@H]2CCN(c3ccccc3)C2)c(F)c1 301069166 DZFKTJCVFMCDHC-HNNXBMFYSA-N 295.361 3.636 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1cc2ccccc2s1 181991886 IOCGBOLNLYGDKH-ZDUSSCGKSA-N 273.357 3.996 30 20 CHED CC(C)O[C@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 404676421 FTKFWGPSAQBOIX-HNNXBMFYSA-N 295.386 3.500 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)Sc2ccccc21 186015923 ATFLUGDTFXOMSV-ZDUSSCGKSA-N 273.401 3.707 30 20 CHED C=CCCC(=O)N1CCC(Oc2ccccc2Cl)CC1 126128427 PRWIEJZVOPTYJO-UHFFFAOYSA-N 293.794 3.676 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccccc1O 215751069 SKKGIEHYQMPGHY-QXMHVHEDSA-N 268.312 3.687 30 20 CHED C#Cc1cccc(NCc2ccc(N3CCCC3)cc2)c1 37185146 GKGNKDUVBCTIEI-UHFFFAOYSA-N 276.383 3.880 30 20 CHED Cc1ccccc1C[C@H](C)NC(=O)c1cccc(C#N)c1C 509573981 WPCGKERCMBPHDZ-AWEZNQCLSA-N 292.382 3.536 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1O 213892783 JCEIPTYSMBSJIH-BAQGIRSFSA-N 297.310 3.813 30 20 CHED C[C@H](SCC[C@@H]1CCOC1)c1ccc(C#N)cc1 419433159 ZBCRZERVNNINRY-JSGCOSHPSA-N 261.390 3.779 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C(C)=C/c1ccccc1Cl 125774762 FAZDCNGZMDWVFS-GDXASINISA-N 276.767 3.552 30 20 CHED Cc1cccc(NC(=O)[C@H](C)Sc2ccc(C#N)cc2)c1 79647950 UUTSCSQOHLSGBT-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2ccccc2C)c1 73012224 GARNSQNDVIDUCG-GOSISDBHSA-N 294.398 3.966 30 20 CHED C=CCC1(C(=O)N(C)c2ncccc2C)CCCCC1 410801410 UWBTWDRKLPQLGH-UHFFFAOYSA-N 272.392 3.879 30 20 CHED Cc1csc([C@@H](C)Nc2nccc(C#N)c2Cl)n1 235286356 CPVCIIGXTXIRDF-MRVPVSSYSA-N 278.768 3.545 30 20 CHED C#CCOc1ccc(NC(=O)Nc2cscc2C)cc1 120765857 PLBYIAMJFATYCQ-UHFFFAOYSA-N 286.356 3.713 30 20 CHED N#CCCSCc1cncc(OCc2ccccc2)c1 413016198 VOHIVQSVRKJGLZ-UHFFFAOYSA-N 284.384 3.807 30 20 CHED COc1cc(CN(C)[C@H](C)c2ccccc2F)ccc1C#N 319861609 IDQULGBSFPBCAG-CYBMUJFWSA-N 298.361 3.899 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(OCC2CC2)cc1 76708582 ZTUYKXOATXCYOO-UHFFFAOYSA-N 292.338 3.599 30 20 CHED COCCOc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1 79724525 YCOCMSWCZPMTNP-AWEZNQCLSA-N 296.370 3.757 30 20 CHED CCCCCCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 128069580 VBOPPCWEDDQJHB-OAHLLOKOSA-N 286.375 3.694 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@](C)(c2ccccc2)C1 185557461 BEJCORIQSQOWLY-IBGZPJMESA-N 283.415 3.616 30 20 CHED COC[C@@H](CC(C)C)N[C@@H]1CCCc2cc(C#N)ccc21 417365826 MSWUDHQTENZLPC-SJLPKXTDSA-N 286.419 3.586 30 20 CHED N#Cc1ccc(CNc2cc(F)ccc2Cl)cc1 76291722 NDLNGUJVVNCCOK-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CCN(CC=C)C(=O)c1ccc2ccccc2c1 47465446 BDVNEKBOZAHBDY-UHFFFAOYSA-N 251.329 3.654 30 20 CHED C=CCOc1ccc(C(=O)N2CCCCCCC2)cc1 74289166 DOAHMRQNLXKYAC-UHFFFAOYSA-N 273.376 3.658 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2ccc(Cl)cc2s1 136165716 TWXLZOGOUMJSJR-CYBMUJFWSA-N 293.779 3.828 30 20 CHED C=C[C@H](CC(=O)Nc1cnn(CC(C)C)c1)c1ccccc1 136505661 XFBFWNCXDHYUJI-OAHLLOKOSA-N 297.402 3.838 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCCCc2ccccc21 414168089 QFXRZJSDQDJCHV-MRXNPFEDSA-N 256.393 3.984 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)c1cn(C)c2ccccc12 184857785 FHZRVRLYVXOBSU-CQSZACIVSA-N 284.403 3.706 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1 79347610 LPWZMUYKIIOJSM-INIZCTEOSA-N 294.379 3.527 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(F)c(C)c2)cc1 180445492 PICPXFXEOSWVND-ONNFQVAWSA-N 297.329 3.989 30 20 CHED C[C@H](CC(=O)OCc1ccc(C#N)cc1)c1ccc(F)cc1 71996842 LGWJSCWRBQKIRH-CYBMUJFWSA-N 297.329 3.934 30 20 CHED C=CC[C@@H](C(=O)NC[C@H]1Cc2ccccc21)c1ccccc1 188442123 AKHQKXIINMDFDU-IEBWSBKVSA-N 291.394 3.802 30 20 CHED C=CC[C@H](C)NC(=O)c1c[nH]cc1-c1ccc(C)s1 189651405 WLCKCDZQJSHWFC-JTQLQIEISA-N 274.389 3.746 30 20 CHED CN(C/C=C\c1ccc(F)cc1)Cc1cc(C#N)ccc1F 505265598 LGAYBXOWIQXJTO-IHWYPQMZSA-N 298.336 3.982 30 20 CHED C=C(C)CN(C)C(=O)C(C)(C)c1ccc(Cl)cc1F 188681502 QQFUFJCSYCKFSO-UHFFFAOYSA-N 283.774 3.791 30 20 CHED C[C@H]1CCC[C@H](NCCSCc2ccccc2C#N)C1 508312051 AXBJEEFIPXDPFA-YOEHRIQHSA-N 288.460 3.960 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C 413813050 CJZKYUZCTLPXTJ-WBVHZDCISA-N 286.419 3.758 30 20 CHED N=C(O)[C@@H]1CCC[C@H](/C(O)=N/[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 329892439 IZZIOYBGSYZFHH-XHXGSEDSSA-N 298.386 3.623 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 44469955 RJXNZLNEJWHLOE-VXGBXAGGSA-N 275.314 3.556 30 20 CHED C#CCCCC(=O)Nc1cc(Cl)ccc1NC1CC1 192143450 MFPIRZVLLMKFFY-UHFFFAOYSA-N 276.767 3.656 30 20 CHED CC(C)(C)c1cnc(CC/C(O)=N/[C@@H]2CCC[C@@H]2C#N)o1 328745903 OLZDDARSVMSZOD-VXGBXAGGSA-N 289.379 3.553 30 20 CHED N#Cc1cccc(CSc2ccccc2O)c1F 223548165 AJJCBELUDBVQAM-UHFFFAOYSA-N 259.305 3.695 30 20 CHED C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 41535323 CJWMJZVZZYPKJF-RAIGVLPGSA-N 282.368 3.642 30 20 CHED N#Cc1cc(Br)ccc1N1C[C@H]2CCC[C@H]2C1 130467442 ASNQWLLTMLWBGT-PHIMTYICSA-N 291.192 3.557 30 20 CHED CCCN(CC1CCCCC1)C(=O)c1ccc(C#N)cc1 194621101 MXJDGSRPJVSEJV-UHFFFAOYSA-N 284.403 3.991 30 20 CHED C[C@H](C(O)=Nc1cccc(C#N)c1)N1CCC[C@@H](C2CC2)C1 329677642 WRHYOBDMXOLXNN-CZUORRHYSA-N 297.402 3.657 30 20 CHED Cc1ccc(C(=O)C2CCN(CCCC#N)CC2)c(C)c1 515542595 YDYVPKQZALKRKU-UHFFFAOYSA-N 284.403 3.502 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1cncc(C#N)n1)CC2 420613995 VCFHKGONHYMXIM-MRXNPFEDSA-N 278.359 3.571 30 20 CHED CN(CCc1ccc(Cl)cc1)Cc1ccccc1C#N 512687657 VNQTXFLAMHOCMR-UHFFFAOYSA-N 284.790 3.886 30 20 CHED CCCCN(C)c1ccc(NCc2cc(C#N)n(C)c2)cc1 191428743 PTPATNDQPWFWOS-UHFFFAOYSA-N 296.418 3.745 30 20 CHED C=CCOc1ccccc1CN1CC[C@H]2CCC[C@@H]21 428457055 LRQMVCOVTVSQBS-ZBFHGGJFSA-N 257.377 3.626 30 20 CHED C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC(C)(C#N)C1 515178464 RBODSDYELOPISI-VIFPVBQESA-N 269.175 3.900 30 20 CHED Cc1cc(N2Cc3ccccc3C3(CCC3)C2)c(C#N)cn1 425251642 IFHHQWNDWWIBJU-UHFFFAOYSA-N 289.382 3.704 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(OC)cc1 45053167 BVEFTJAGHPCGQN-UHFFFAOYSA-N 283.327 3.512 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 429356136 RZONYNDGUAHADL-UHFFFAOYSA-N 289.162 3.700 30 20 CHED CCCc1nc(C)c(CN[C@@H]2CCc3ccc(C#N)cc32)o1 426354243 YPMXSSMCMPMQDT-MRXNPFEDSA-N 295.386 3.584 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)c(F)c1 510498210 ZGUQNYBKMMWGPC-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1cccc(Sc2nc3ccccc3s2)n1 81622049 YIMYYFDVRDJXNN-UHFFFAOYSA-N 269.354 3.714 30 20 CHED CC(C)[C@@H](C#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 84600797 GAFINYQOVFSSFV-CXAGYDPISA-N 280.371 3.608 30 20 CHED C=CCC[C@H](CCC)N[C@@H](CO)CC1CCCC1 511014978 TUSWJVZLRTWXHC-JKSUJKDBSA-N 253.430 3.652 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2ccccc2OC)C1 424677127 GWWVBCMNOINKOO-CQSZACIVSA-N 287.403 3.613 30 20 CHED Cc1ccc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)o1 517261961 QJVFJWTYTMTVIF-UHFFFAOYSA-N 285.690 3.830 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCc2cccnc2CC1 421864837 YXJOGVNWLLZFSY-OAHLLOKOSA-N 258.409 3.521 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(C(C)C)n[nH]1 428946952 MEKFDVJNLIGXDQ-UHFFFAOYSA-N 284.407 3.506 30 20 CHED CC(C)[C@H](/N=C(/O)c1cnc(C(C)(C)C)s1)C(C)(C)O 331139034 SYBCNFSSTRBQEB-NSHDSACASA-N 298.452 3.541 30 20 CHED CC[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 334167388 AOWJHVQNMAEJIT-HNNXBMFYSA-N 285.391 3.894 30 20 CHED CC1(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 428799667 KJLGBBDXNFKUCM-GFCCVEGCSA-N 297.185 3.864 30 20 CHED C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 336282837 IFXBIFABFHROSO-GWCFXTLKSA-N 276.767 3.781 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H](C)[C@H](C)C1 338847120 KCRWDRBPMRWPGJ-UONOGXRCSA-N 288.439 3.604 30 20 CHED C=CCCC(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 338652569 QUYXBFQDABZEPJ-MRXNPFEDSA-N 295.386 3.714 30 20 CHED N#Cc1cccc(C2(C(=O)Nc3cccc(F)c3F)CC2)c1 336581177 QVLJVKNZAYLGHS-UHFFFAOYSA-N 298.292 3.507 30 20 CHED C=C(CNC(=O)[C@H]1CCCC[C@@H]1C)c1ccccc1 424844814 HPBYPQMOOJIUJN-BBRMVZONSA-N 257.377 3.642 30 20 CHED N#Cc1ccc(CN[C@@H]2CSc3ccccc32)c(F)c1 335827493 BAFWEPCRZVBNNW-OAHLLOKOSA-N 284.359 3.634 30 20 CHED CC[C@H](C)N(C(=O)c1cccc(C#N)c1C)[C@H](C)CC 337791334 CCCMGQFBVPROON-BETUJISGSA-N 272.392 3.906 30 20 CHED CCC1(NC(O)=Nc2cccc(C(F)F)c2)CCOCC1 330841099 XYYUGNSJPOLMTM-UHFFFAOYSA-N 298.333 3.719 30 20 CHED CCN(CCc1ccc2ccccc2c1)C[C@@H](C)C#N 511667790 SCCIFQYYYADGIL-HNNXBMFYSA-N 266.388 3.864 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2sccc2C2CC2)C1 336418240 MFGIUAGRUFJDNA-ZBEGNZNMSA-N 288.416 3.828 30 20 CHED N#CCC1(CNC(=O)c2occc2-c2ccc(F)cc2)CC1 435229934 MWLZFVGKXZFAPD-UHFFFAOYSA-N 298.317 3.509 30 20 CHED C#CCCCCC(=O)N(C)[C@H](C)c1ccc(F)cc1 179669615 ONXGWMFDTKLUKV-CYBMUJFWSA-N 261.340 3.539 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(F)c2ccccc12 335644093 PWCFYWKSJDZYKA-UHFFFAOYSA-N 284.334 3.601 30 20 CHED CCC(CC)(CNCc1cccc(C#N)c1)SC 230708516 VSGUIIOJVDXQOC-UHFFFAOYSA-N 262.422 3.570 30 20 CHED CC[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(C)cc1 349431320 LGLXLNOJWASGKV-CQSZACIVSA-N 258.365 3.502 30 20 CHED N#C[C@H](C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1nc2ccccc2o1 248745879 DDUJFAXLKWWTEG-IGQOVBAYSA-N 294.354 3.830 30 20 CHED C[C@@H]1CC[C@]2(CCN(c3nccc(C#N)c3Cl)C2)C1 342835300 ODMKJNZEEVKDOH-ABAIWWIYSA-N 275.783 3.623 30 20 CHED Cc1ncc(CSCc2cccc(C#N)c2F)s1 340857753 VHNITXQSRWIJDR-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 437364770 NPRIYXAFPKYJTL-LZWOXQAQSA-N 277.795 3.914 30 20 CHED C=CC[C@H](C)NC(=O)Nc1nc2cc(F)c(C)cc2s1 434519979 CHGZCEWERBTNTJ-VIFPVBQESA-N 293.367 3.830 30 20 CHED C=CCCCC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 430668947 YWGQPDADGNPKJI-SJKOYZFVSA-N 275.367 3.922 30 20 CHED CC(C)CCc1ccc(NC(=O)C2(C#N)CCC2)cc1 609856549 IFVAIQHAQFGIEH-UHFFFAOYSA-N 270.376 3.908 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(C2CC2)C2(C#N)CCC2)C1 341586218 OLVHAMBLTWJWBF-UONOGXRCSA-N 274.408 3.640 30 20 CHED C=CCCCC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 434246080 PVDBALBPNXNBOD-INIZCTEOSA-N 271.404 3.995 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@@H](SC)C(C)(C)C 432364886 NPRDEXAVZCLVQH-GFCCVEGCSA-N 286.485 3.666 30 20 CHED C=CCC[C@@H](NC(=O)c1c[nH]cc1C)c1ccccc1 435405354 MKRFISXFPATKQJ-MRXNPFEDSA-N 268.360 3.760 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cc(COC)cc(C(=O)OC)c1 430199167 BCYADANXAZSKPY-OLZOCXBDSA-N 291.391 3.632 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C)cc1 604900722 DIXHZXPKNAEQFP-GOEBONIOSA-N 272.392 3.806 30 20 CHED C[C@@H](c1ccccc1)n1cc(CC2(C#N)CCCCC2)nn1 603178937 LDKVFVQSVSYDPI-HNNXBMFYSA-N 294.402 3.904 30 20 CHED Cc1cc(C#N)nc(Nc2ccc(C3CC3)c(C)c2)n1 343035636 SQLQTGJNWLUCKS-UHFFFAOYSA-N 264.332 3.586 30 20 CHED C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nccc3ccccc23)[C@@H]1C1CC1 529000978 USFIKFBAYLDCIL-FKSAFCJBSA-N 290.366 3.703 30 20 CHED CCc1ccc([C@H]2CCN(c3cc(C)nc(C#N)c3)C2)cc1 431492438 DCILRGPSPLHOCJ-KRWDZBQOSA-N 291.398 3.818 30 20 CHED CCOc1cccc(C=Nc2ccc(F)c(C#N)c2)c1O 255621173 YKDWIWPQBDNUJR-UHFFFAOYSA-N 284.290 3.552 30 20 CHED C=CC1CCN(CCOC2CCCCCC2)CC1 607152373 DDPWWPNSRXXUJH-UHFFFAOYSA-N 251.414 3.624 30 20 CHED CN(C(=O)/C=C\c1ccccc1C#N)c1c(F)cccc1F 255509626 PYHYMNVVNVRYJP-KTKRTIGZSA-N 298.292 3.513 30 20 CHED C[C@@H](CCC#N)CNCCCc1cccc(Cl)c1 602543688 GLYYJPLDNNHIJE-ZDUSSCGKSA-N 264.800 3.802 30 20 CHED C=CC(C)(C)CN[C@H](C)Cc1ccc(OC)c(OC)c1C 449485356 MEEZBRHANIGROG-CYBMUJFWSA-N 291.435 3.745 30 20 CHED CCCCN(C(=O)Nc1ccc(CC#N)cc1)C1CC1 298466817 OVVSRDCGJDWDJD-UHFFFAOYSA-N 271.364 3.549 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2ncccc21 601278350 SCEOTPIOWKVEIZ-RBUKOAKNSA-N 289.382 3.608 30 20 CHED CN(Cc1cccc(Br)c1F)CC(C)(C)C#N 449341885 XDUXKAYDZCQRTJ-UHFFFAOYSA-N 299.187 3.570 30 20 CHED CCCSCc1cccc(-c2cnn(CC#N)c2)c1 600778982 LKRHQHNTHZCFHX-UHFFFAOYSA-N 271.389 3.717 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](CC)c1nc(C)cs1 358983518 CGSXDEZQBJFJJL-NWDGAFQWSA-N 281.425 3.557 30 20 CHED C=CCC1(C(=O)NC2CCN(CCCC)CC2)CCCC1 449830230 OTHCDKOKXJDQRJ-UHFFFAOYSA-N 292.467 3.504 30 20 CHED C[C@H](CCC#N)CNC[C@@H](c1ccccc1)C(F)(F)F 602622404 IEUQEOBOHZVIAK-OCCSQVGLSA-N 284.325 3.862 30 20 CHED C[C@H](CCC#N)CN(C)[C@H]1CCCN(Cc2ccccc2)C1 602445626 RSUYBAUBVKVDFJ-MJGOQNOKSA-N 299.462 3.523 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C)c(OC(F)F)c1 449869823 LKPMGWXJWVBTGB-UHFFFAOYSA-N 269.291 3.747 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)cn1 353778104 MFNLPRSDPJKLAW-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 268142096 CRDAYRKXOSIAHX-MRXNPFEDSA-N 287.378 3.910 30 20 CHED C=C(CC)CNCc1cc(-c2ccncc2)ccc1OC 449733612 IZLIMBCLWULYAS-UHFFFAOYSA-N 282.387 3.813 30 20 CHED C[C@@H](c1ccc2ccccc2c1)N1CC[C@@](F)(C#N)C1 615638828 JANMMFTUMQVPQW-SUMWQHHRSA-N 268.335 3.838 30 20 CHED N#CC1(CN[C@H](c2ccccc2F)C2CCCC2)CC1 539490034 FDAXTOCLTOXBHA-INIZCTEOSA-N 272.367 3.950 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@]1(C#N)C[C@H]1C 448962700 SGJBFHDVXJNAIM-UWWQBHOKSA-N 284.403 3.748 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 448860840 QQCINKNIOXBNDA-DGCLKSJQSA-N 297.320 3.890 30 20 CHED N#CC[C@@H](CC(=O)NCC1(C2CC2)CCC1)c1ccccc1 356518167 PAUAITBMTMTHEM-INIZCTEOSA-N 296.414 3.770 30 20 CHED C=CCCc1nc([C@@H]2CCCc3ccccc32)no1 355885945 FMYDPMRLPMPUHP-CQSZACIVSA-N 254.333 3.656 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@@H](CC#N)c1ccccc1 356693123 IJMZVWVFKYZEAZ-DJIMGWMZSA-N 284.403 3.863 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(c3cccc(Cl)c3)CC2)C1 442774866 BBNIYHBAIQNUAX-IUODEOHRSA-N 274.795 3.653 30 20 CHED CC(C)[C@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CCO1 619748560 IQMIGIYYSPLJSG-GDBMZVCRSA-N 292.810 3.505 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H](C)CCCc1ccccc1 611415017 YXUXWZDFIZXWIO-WBVHZDCISA-N 286.419 3.700 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 610239123 BIJMCLUJASBSEF-IINYFYTJSA-N 298.308 3.617 30 20 CHED COc1ccc(C#N)cc1CN1C[C@H](C)[C@@H]2CCCC[C@H]21 611801995 FOXMEZVFDYSJHY-RRQGHBQHSA-N 284.403 3.577 30 20 CHED N#C[C@@]1(F)CCN(Cc2cc(-c3ccccc3)cs2)C1 615651265 HGDXBVCPMGVWOB-INIZCTEOSA-N 286.375 3.853 30 20 CHED CCC(CC)N(C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CC1 530918312 SZISORCSPVGAKE-ZDUSSCGKSA-N 299.418 3.982 30 20 CHED C=CCC1(CNC(=O)Cc2ccsc2)CCCC1 456491301 ZLYKCNHYNYKEIO-UHFFFAOYSA-N 263.406 3.543 30 20 CHED CC[C@@H](C)CCCCC(=O)N(CC)C[C@H](C)C#N 612279657 TWPQNALRJFUAMS-ZIAGYGMSSA-N 252.402 3.601 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(C)c2ccc(C#N)cc2F)c1 610043937 ZHKSIUFRVXKJFK-CYBMUJFWSA-N 296.345 3.772 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(OC)c(OC)c1C 453314153 XOIGLMTVYFAEFZ-ZDUSSCGKSA-N 277.408 3.875 30 20 CHED C=C(CC)CNC(=O)[C@H]1C[C@H]1c1ccccc1Cl 456831030 SFCXYADOQZAFDL-STQMWFEESA-N 263.768 3.526 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCc2cccc(F)c2F)C1 617785952 QKFHQZXDLYJADN-ZDUSSCGKSA-N 293.357 3.712 30 20 CHED CC(C)(C#N)CCCN[C@@H](C(C)(C)C)C(F)(F)F 545922295 HDGOFPABWGBTMC-JTQLQIEISA-N 264.335 3.883 30 20 CHED C#CC[C@@H](NC(=O)N(CCC)CC1CC1)c1ccccc1 270389398 XNGFGADVDVKUQH-QGZVFWFLSA-N 284.403 3.583 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 452185669 ADZPUOUJSKHTER-LBPRGKRZSA-N 257.377 3.953 30 20 CHED N#CCC1(CNc2cc(C#N)ccc2C(F)(F)F)CC1 362365907 QEVVWIWNAANPAN-UHFFFAOYSA-N 279.265 3.683 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cccc(CC#N)c1 456759331 VQZRKKBJYHYRNI-MLGOLLRUSA-N 256.349 3.517 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@H]1CC[C@@H](SCC)C1 458807964 HOTMHMNVMBXLOJ-UONOGXRCSA-N 298.496 3.904 30 20 CHED C=CCCN[C@H](C)c1ccc(OCC(C)C)c(OC)c1 540365064 FFUCJERYZDGYMQ-CQSZACIVSA-N 277.408 3.957 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N1CCc2ccc(C#N)cc21 450260060 ZLPQBNDEEDRJEM-HOCLYGCPSA-N 282.387 3.664 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H]1CCCc2sccc21 455382542 JPNPJVFUJXECGM-GFCCVEGCSA-N 278.421 3.637 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 542587778 WJRMNPRBBXGCJI-OWCLPIDISA-N 281.440 3.690 30 20 CHED Cc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1CN(C)C 459757423 KPKBQLQHRZWSAN-HOCLYGCPSA-N 271.408 3.551 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 456830192 QIBGKDRTNQXCEG-UONOGXRCSA-N 297.320 3.891 30 20 CHED C=CCN(Cc1ccc(OC)c(OCC(=C)C)c1)C1CC1 541764961 NTKWFXJRBUCXPX-UHFFFAOYSA-N 287.403 3.801 30 20 CHED CC(C)C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)CCO1 272012895 NHAROAPUVONTGG-JKSUJKDBSA-N 258.365 3.564 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 276914354 LKWPSLJLKYWMFU-XGWLTEMNSA-N 293.382 3.620 30 20 CHED CC1=C(C)CN(Cc2cccc(OCCCC#N)c2)CC1 361126247 LQGFZMRCWFOIKK-UHFFFAOYSA-N 284.403 3.911 30 20 CHED CC[C@H]1CC[C@H](C)N1c1ccc2cc(C#N)ccc2n1 540078302 RLJZYNSGVBBCJM-WFASDCNBSA-N 265.360 3.874 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(C)(C)CC1 540569486 BEYUFMIBBYUEII-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED CC[C@@H](CC#N)N[C@H](CCc1ccccc1)C(F)F 273836185 GUVXAHRWPSBODY-UONOGXRCSA-N 266.335 3.535 30 20 CHED C#CC[C@H](N[C@@H](C)c1cncs1)c1ccccc1 271576675 WLPUGPDFQTYPCO-JSGCOSHPSA-N 256.374 3.558 30 20 CHED CCC(CC)CN(CCC#N)c1nc(Cl)c(C#N)s1 286615528 VPVOEBQQWQFTKN-UHFFFAOYSA-N 296.827 3.824 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1cccc(C)c1 540527133 VQDCBYDXRAHOMI-HUUCEWRRSA-N 259.393 3.960 30 20 CHED C=CCC1(C(=O)N2CCOc3ccccc3[C@H]2C)CCC1 622987849 QFIRMISDJAOGHH-CQSZACIVSA-N 285.387 3.715 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 464443166 AOFLPLGJXJHBIR-GXZXJKLZSA-N 276.424 3.647 30 20 CHED C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2CCCC(C)(C)C#N)C1 374074976 OWOGPKJDRDLHGO-QZWWFDLISA-N 292.467 3.578 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)CC(=O)c1ccccc1F 281710486 MTBMLYBXPVCENR-STQMWFEESA-N 291.366 3.506 30 20 CHED C=CCCCNC(=O)[C@H](C)Cc1ccc(Cl)cc1 468394873 WIDROXJRXFJGEK-GFCCVEGCSA-N 265.784 3.601 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)[C@H](C)c1ccccc1 467449578 KCBZJNRZWQVCBC-HOTGVXAUSA-N 278.399 3.883 30 20 CHED C=CCCCC(=O)NCC(F)(F)c1ccc(Cl)cc1 553257820 QXMPWIWVFQSJGT-UHFFFAOYSA-N 287.737 3.904 30 20 CHED C=CCCCC[C@@H](C)NCc1cnn(CC(F)(F)F)c1 553612321 XMKBTKNCOOTXAL-GFCCVEGCSA-N 289.345 3.670 30 20 CHED CC[C@@]1(C)CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 467452684 BREFOCRVAOWGLI-HNNXBMFYSA-N 291.782 3.866 30 20 CHED C=C(C)CCc1noc(C2(CCOCC)CCCC2)n1 285094430 KOZGWMDXGFSPIG-UHFFFAOYSA-N 278.396 3.817 30 20 CHED CC#CCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 280685223 MUSXVZCVKQCIIX-LSDHHAIUSA-N 275.779 3.506 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1C(=O)CC)OCC 637703537 QNPRZLHGQYURED-INIZCTEOSA-N 289.375 3.589 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCc1ccc(F)cc1F 557425973 DDEWNMJAKJDZPA-GFCCVEGCSA-N 296.361 3.551 30 20 CHED C[C@@H]1CC(=NNc2nccnc2C2CCC2)C[C@H](C)C1 807991963 WOJPOXFRSKRASY-TXEJJXNPSA-N 272.396 3.968 30 20 CHED CCCC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 554114521 JYJLESXAVWVSDX-LBPRGKRZSA-N 260.356 3.928 30 20 CHED CCCC[C@H](C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 800382984 LIRQTZSWMSAJCM-STQMWFEESA-N 283.375 3.576 30 20 CHED C[C@H](C#N)OCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 801938025 BYSGUHKRISCRTB-CZPYZCIJSA-N 292.810 3.555 30 20 CHED C=CCCC1(C(=O)NCCCOc2ccccc2C)CC1 475646527 QJLFHFQZHFRHHC-UHFFFAOYSA-N 287.403 3.627 30 20 CHED Cc1nnc(S[C@@H](C)c2cccs2)c(C#N)c1C 804475611 GKXVTSOHMXPIPF-JTQLQIEISA-N 275.402 3.880 30 20 CHED C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 295366641 WJEYAZJZCLVKRL-ZFWWWQNUSA-N 257.377 3.603 30 20 CHED C=C(C)CCc1noc(-c2csc(C(C)=O)c2)n1 293208565 CJTBQUIWYMRYMP-UHFFFAOYSA-N 262.334 3.509 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)Cc2ccccc2O1 564154498 ABMMJDOWXNIHLB-UHFFFAOYSA-N 292.382 3.731 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccccc1 807990910 OKXBFBINIQSLRL-UHFFFAOYSA-N 269.304 3.739 30 20 CHED CC(C)(C#N)CC(=O)Nc1sc(C(C)(C)C)cc1C#N 297882552 VDTDVPZDFTVGTA-UHFFFAOYSA-N 289.404 3.796 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc2c(c1)COC2 806382408 KNMLSCHPADSZDX-UHFFFAOYSA-N 288.391 3.975 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1 565938674 LMFODCZVGHZFPQ-UHFFFAOYSA-N 296.418 3.758 30 20 CHED Cn1ccc2cccc(NCC#Cc3ccc(F)cc3)c21 471556790 DMRXKGKBPCQEID-UHFFFAOYSA-N 278.330 3.781 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1CC#N 561798694 FVCKWESEWUGGJQ-UKRRQHHQSA-N 270.376 3.908 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CC[C@@H](C)C1)c1ccccc1 478109472 KBZYSEKEDAAPGJ-BZUAXINKSA-N 271.404 3.899 30 20 CHED N#Cc1ncccc1N1CCC(c2ccc(F)c(F)c2)CC1 290514234 FNQYKKWGJSJPNN-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=CCCCCCCNC(=O)CCc1nc(C)cs1 805220349 NAZLKWMCTCITIM-UHFFFAOYSA-N 280.437 3.637 30 20 CHED C=CCCCCNC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 472841837 QECORSCDCHUSDI-WBVHZDCISA-N 286.419 3.930 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2CCOc2ccccc2C#N)C1 394154798 LJTSYDSJDIOWPS-QFBILLFUSA-N 298.430 3.838 30 20 CHED C=CCCCCCS(=O)(=O)c1ccc(C)c(C)c1 565932285 SZFKDRLTTFWVKB-UHFFFAOYSA-N 266.406 3.824 30 20 CHED CC(C)(CO)CNN=C1CCCC[C@@H]1C1CCCCC1 814922840 YVELUYHRDWSMRY-OAHLLOKOSA-N 280.456 3.721 30 20 CHED C=CCCCCCCCNC(=O)c1scnc1CC 811590962 TWOLHEPZOIDFJN-UHFFFAOYSA-N 280.437 3.962 30 20 CHED c1ccc([C@@H]2CCC(=NO[C@@H]3CCCCO3)C2)cc1 814887063 HEORNYSTXIOLRM-GDBMZVCRSA-N 259.349 3.853 30 20 CHED C=CCn1cccc1C(=O)N1CCc2ccc(Cl)cc21 488763798 GDCWGWICRACCNZ-UHFFFAOYSA-N 286.762 3.530 30 20 CHED Fc1cccc(C=NNc2ccc(F)c(F)c2F)c1F 814945763 OXMDTRZFGSILEE-UHFFFAOYSA-N 286.203 3.828 30 20 CHED C#CCCCCc1nc(-c2ccc(Cl)cc2F)no1 815699977 QWGXUPOMDWWUEE-UHFFFAOYSA-N 278.714 3.875 30 20 CHED C=CCCCCCCCNC(=O)c1ocnc1C1CC1 811590736 HSKSYRQSQMXEKW-UHFFFAOYSA-N 276.380 3.808 30 20 CHED Brc1cnc(C=NOC2CCCCC2)s1 814910423 UYGWEFSYSRUHPE-UHFFFAOYSA-N 289.198 3.589 30 20 CHED C[C@H]1CCCC1=NNc1nnc(-c2ccccc2)s1 814946220 DTIAQTBNWRFACR-JTQLQIEISA-N 272.377 3.793 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@@H](C2CC2)C1)c1ccccc1 489616188 CZIIGFBDQWGLOM-MSOLQXFVSA-N 283.415 3.995 30 20 CHED C[C@H]1CCC(=NNc2ncnc3sc4c(c23)CCC4)C1 814726672 ZYTZZOXSOMIPCO-VIFPVBQESA-N 286.404 3.768 30 20 CHED C[C@@H]1C(=NNc2cccc(Cl)c2)CC[C@H]1CC(=O)O 814693334 KERPKCPEDVNUIS-UWVGGRQHSA-N 280.755 3.629 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(CN)cc1F 650756264 XXDDFDADZPGVMT-ZDUSSCGKSA-N 264.388 3.509 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)N2[C@@H](C)CC[C@H]2C)n1 572348807 FZZQURGXMOQIAX-FRRDWIJNSA-N 277.412 3.857 30 20 CHED Fc1cccc(F)c1NN=Cc1ccc2oncc2c1 814852570 FXUIMVPFPAUEGB-UHFFFAOYSA-N 273.242 3.552 30 20 CHED C=CC[C@H](NC(=O)c1oc(C(C)C)nc1C)c1ccncc1 814115787 MNFPVQITYUTKBW-AWEZNQCLSA-N 299.374 3.549 30 20 CHED C=C(Cl)CNC(=O)c1cc(Cl)c(F)cc1Cl 815658579 GGXNSQVHIQEVFJ-UHFFFAOYSA-N 282.529 3.615 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)c1ccc(CC)cc1 481296509 QNYNWEWBJXIPEP-UHFFFAOYSA-N 273.420 3.951 30 20 CHED CC[C@H](CN(CC)C(=O)C1(C#N)CCC1)c1ccccc1 482268604 QQKVADRCHCDCTG-OAHLLOKOSA-N 284.403 3.723 30 20 CHED Cc1cc(C)c2cc(CN[C@@H]3CCC[C@H]3C#N)[nH]c2c1 482514044 SFKJHTKEGBZNLG-XJKSGUPXSA-N 267.376 3.567 30 20 CHED Fc1ccc(NN=Cc2cscc2C(F)(F)F)nc1 811642530 VNFUFLNBLGBSTE-UHFFFAOYSA-N 289.257 3.747 30 20 CHED CCOC(=O)CC[C@H](C)Sc1cccc(F)c1C#N 577076836 DUDLPLHEUDDNGM-JTQLQIEISA-N 281.352 3.521 30 20 CHED C=CCN(C)C(=O)NCC(C)(C)CCCc1ccccc1 488936997 PIUDSCCLCRWSBV-UHFFFAOYSA-N 288.435 3.863 30 20 CHED C=CCCCC(=O)Nc1cccc(C(C)(C)C)c1O 480064265 XMQGDLDKZHWAPB-UHFFFAOYSA-N 261.365 3.985 30 20 CHED C=CCN(CC=C)C(=O)/C=C(\C)c1ccccc1Cl 727302206 OVOKFDHCKZXSHP-OUKQBFOZSA-N 275.779 3.944 30 20 CHED C=CCC1(NC(=O)N(C)C(C)(C)CC)CCCC1 657189439 KPASLYPSUJYQQL-UHFFFAOYSA-N 252.402 3.705 30 20 CHED Cc1noc(C)c1CNc1ccc(OC(C)(C)C)c(C#N)c1 824722885 YLQXLPPDJUPJCH-UHFFFAOYSA-N 299.374 3.953 30 20 CHED C=C(C)CN(C)Cc1cc(F)cc(C(F)(F)F)c1 497114784 MKIYOXJLQOVLGN-UHFFFAOYSA-N 261.262 3.852 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 729147675 DXDDSDMHFJOEOL-UHFFFAOYSA-N 297.358 3.541 30 20 CHED C(=Nn1cnc2ccccc21)c1ccc(N2CCCCC2)o1 725849305 ZJSRJHJUGGSZJO-UHFFFAOYSA-N 294.358 3.502 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C)c1cc(C)c(C(=O)OC)o1 821448152 PTEDWHYGKREGBR-LLVKDONJSA-N 294.347 3.581 30 20 CHED CN(C(=O)/C=C\SCc1ccco1)c1ccccc1C#N 492206663 FSFWUDNVFWCQOU-NTMALXAHSA-N 298.367 3.561 30 20 CHED C#CCN(Cc1cnc(CCc2ccccc2)s1)C1CC1 824173115 WSOAXEMWPSDTPV-UHFFFAOYSA-N 296.439 3.526 30 20 CHED C=C(C)C(C)(C)C(=O)OCCCCC1CCOCC1 821451744 GOPBKMCDTDSANH-UHFFFAOYSA-N 268.397 3.729 30 20 CHED CC(C)CCc1ccc(NC(=O)c2cccc(C#N)n2)cc1 589347122 RHZQRHSWGZGFAM-UHFFFAOYSA-N 293.370 3.794 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)C1 661386651 UJDQIDLJQXHQAS-GFCCVEGCSA-N 284.325 3.889 30 20 CHED C#Cc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cn1 728801278 VSVXMGIXIWTEFU-UHFFFAOYSA-N 284.746 3.585 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc2ccccc2[nH]1 490300183 OOPGDAGTPIBTEM-UHFFFAOYSA-N 294.354 3.632 30 20 CHED CCCCCCCN[C@H]1CCC[C@@H](C(F)(F)C(=O)O)C1 902060178 CKILKHCXEVMLEY-OLZOCXBDSA-N 291.382 3.825 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1nccs1 732622895 YRVOARUZEXISJP-UHFFFAOYSA-N 285.294 3.998 30 20 CHED C[C@@H](Cc1ccccc1)CN1CCC(CCC#N)CC1 584470673 CQUFABVPUADABQ-INIZCTEOSA-N 270.420 3.881 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)[nH]c1C 665667011 PXXYRPAZIYZYAA-MRXNPFEDSA-N 282.387 3.549 30 20 CHED Cc1cc(NN=Cc2cc(-c3ccccc3)cs2)ncn1 731935415 XWCJKHDRXWGYHL-UHFFFAOYSA-N 294.383 3.960 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cccc(OC)c1C 667316584 GMKIDEKYDDVSRY-UHFFFAOYSA-N 290.407 3.548 30 20 CHED FC(F)Oc1ccc(Cl)cc1CON=C1CCC1 735490257 TYZXCHHXMPROHT-UHFFFAOYSA-N 275.682 3.998 30 20 CHED CC(=NNc1c(C)cccc1Cl)c1cnn(C)c1C 835011670 RMMLBSSSOBMPRY-UHFFFAOYSA-N 276.771 3.526 30 20 CHED C[C@@H]1C[C@H]1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739594821 RMSBKPXHGXFHCN-IAQYHMDHSA-N 296.395 3.559 30 20 CHED C#CCCOC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 730922080 ORKUEMXELBBLBJ-UHFFFAOYSA-N 288.387 3.566 30 20 CHED C=CCCC[C@H](C)OC(=O)c1coc2c1C(=O)CCC2 835267866 DQOGUTBCNYLTFR-NSHDSACASA-N 276.332 3.700 30 20 CHED C=C(Cl)CNC(=O)c1oc2c(C)ccc(C)c2c1C 736245870 CQVOJZVPFFYPGX-UHFFFAOYSA-N 277.751 3.840 30 20 CHED CO[C@](C)(C=NNc1ccc(Cl)cc1F)C1CC1 901317689 MPVDCODLRFGSDD-CYBMUJFWSA-N 270.735 3.692 30 20 CHED Cc1ccc(N(C(=O)c2ncc(C#N)cc2C)C(C)C)cc1 839271928 WKPCPIFOGAYJNB-UHFFFAOYSA-N 293.370 3.625 30 20 CHED C=CCCC[C@@H](NC[C@H]1CCCC(C)(C)C1)C(=O)O 900068268 DBRPFUZRSYBIPG-UONOGXRCSA-N 267.413 3.602 30 20 CHED CO[C@H]1C[C@H](c2ccccc2)CCC1=NOC(C)C 834999705 DQBCHUKQQIDDNX-ZBFHGGJFSA-N 261.365 3.750 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CS[C@H](C(C)(C)C)C1 580918692 DKGKJWQILVIORM-STQMWFEESA-N 268.470 3.826 30 20 CHED CC1(C)C[C@@H]1CNC(=S)Nc1ccc(C#N)c(Cl)c1 732725491 PXRZHUCACLNCJK-SNVBAGLBSA-N 293.823 3.544 30 20 CHED C#CCCCCCCOC(=O)c1c(C)noc1C(F)F 835714510 LDRLVAVCNPLWIU-UHFFFAOYSA-N 285.290 3.661 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cccc3c2OCO3)c1 915985410 ULTRUGOFASGSJQ-HJWRWDBZSA-N 280.323 3.928 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2cc(C)c(C)o2)cc1 834893779 XLKQMMYTLBLNKS-CQSZACIVSA-N 283.371 3.759 30 20 CHED C=C(Cl)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 732413156 PKNIEWUZMPGSFL-UMVBOHGHSA-N 265.784 3.589 30 20 CHED CCc1ccsc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839048870 PFBZEZNHHSXNSV-CMPLNLGQSA-N 263.362 3.550 30 20 CHED C#CCCCCC(=O)Nc1cc(Cl)cnc1OC(C)C 836861893 XFVUGSSNGPKGAM-UHFFFAOYSA-N 294.782 3.654 30 20 CHED Cc1cc(SCc2cn(C(C)(C)C)nn2)ccc1C#N 594912007 NACQCTVHGFMXGH-UHFFFAOYSA-N 286.404 3.506 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cc(F)cc(F)c1O 834882474 AXIRRYDOKVWHKL-SECBINFHSA-N 255.308 3.533 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1cccc(C2CC2)c1 837676392 UIJPYUKAKIVUSG-ZDUSSCGKSA-N 269.388 3.791 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)C1CC(F)(F)C1 839435820 OTYOMEQFNNGOAQ-UHFFFAOYSA-N 286.281 3.695 30 20 CHED C[C@H]1CCN(C(=O)CC2(C#N)CCCCC2)CC1(C)C 597505923 STSALTOYOMILHX-AWEZNQCLSA-N 276.424 3.745 30 20 CHED C=CCN(C(=O)c1csc2c1CC[C@H](C)C2)C(C)C 914683004 ARLMASGHMJXFMG-LBPRGKRZSA-N 277.433 3.910 30 20 CHED Cc1cccc(Cl)c1NN=C1C[C@H](C)n2ccnc21 835012231 YZUYDHFLXBFCIJ-JTQLQIEISA-N 274.755 3.626 30 20 CHED Cc1nc(C=NNc2nc3ccccc3s2)cs1 916246238 AVEHGAPALBQDBO-UHFFFAOYSA-N 274.374 3.507 30 20 CHED Clc1ccc(C#CCN2CCC3(CC2)CC3)cc1 677716448 GENGPABQWJDCJW-UHFFFAOYSA-N 259.780 3.568 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 592612707 FFCYNXXBYZEDHG-SZOQZIPDSA-N 276.424 3.647 30 20 CHED C#CCOc1ccc(CN[C@H](C)C[C@H](C)CC)cc1 742380304 LHNVITVUMNEUOJ-HUUCEWRRSA-N 259.393 3.613 30 20 CHED C[C@@H](CCNCCc1ccc(C#N)cc1)c1ccccc1 597178104 OQGXHWUIQCAERP-INIZCTEOSA-N 278.399 3.884 30 20 CHED Cc1cc(C)c2c(c1)CCC2=NOCc1cccnc1 848407373 OTWWZCOVHYEORD-UHFFFAOYSA-N 266.344 3.566 30 20 CHED C=C(CNC(=O)c1cnc2ccsc2c1)c1ccccc1 672480487 OYXLQOFCRJQCMI-UHFFFAOYSA-N 294.379 3.740 30 20 CHED COC[C@H](C)NN=C1CC[C@H](c2cccc(Cl)c2)C1 841632830 XFMNEHPHAJQHCC-AAEUAGOBSA-N 280.799 3.588 30 20 CHED C=CCOCCSCCSc1ccccc1 842185618 JXVHUBCTBSYITD-UHFFFAOYSA-N 254.420 3.715 30 20 CHED COc1ccc(NC(=S)NN=C2CCCC2(C)C)cc1 749858689 NIPUZTXLMSFWJL-UHFFFAOYSA-N 291.420 3.548 30 20 CHED CCCCCC[C@H](C)NN=Cc1cccc([N+](=O)[O-])c1 743450536 LRDQFAJYQHGRCO-ZDUSSCGKSA-N 277.368 3.877 30 20 CHED CCN(Cc1occc1C)[C@H](C#N)c1ccccc1 595544203 NFIHKEHLJLMUOP-OAHLLOKOSA-N 254.333 3.675 30 20 CHED COc1cc(CNc2ccc3c(c2)C[C@@H](C)O3)ccc1C#N 846755745 MZNQDWKTJAVKSG-GFCCVEGCSA-N 294.354 3.502 30 20 CHED Cc1cnc(NCC(C)(C)CC#N)c(Br)c1 591175925 FVRNBNVHBHCUNH-UHFFFAOYSA-N 282.185 3.504 30 20 CHED COc1cccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1O 846149161 WNJCKLCGRFVZNJ-QWHCGFSZSA-N 296.370 3.684 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(C2CC2)no1 595348570 SYNBOFOZMKVHBY-UHFFFAOYSA-N 275.396 3.704 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1cccc(F)c1)C2=O 742436775 NOCMWLLMACZIHZ-NVNXTCNLSA-N 277.298 3.910 30 20 CHED CCO[C@@H]1CCCC[C@H]1/N=C/c1cc(Cl)ccc1O 840708740 DLPILSVOUOOLBZ-LIPKVFPISA-N 281.783 3.812 30 20 CHED Cc1ccc(N(C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 846851522 NSWIYQLQHQDPBF-OAHLLOKOSA-N 292.382 3.708 30 20 CHED CCOc1ccccc1COC(=O)c1ccccc1CC#N 849211566 YEOBNIRFRFZDOD-UHFFFAOYSA-N 295.338 3.508 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ncnc3sc4c(c23)CCCC4)C1 591826492 GQWXGLJKBWNQJW-MNOVXSKESA-N 298.415 3.674 30 20 CHED COCC1(C/N=C\c2cc3ccccc3nc2O)CCCC1 840709433 JLYMAHCDUUPCFA-ODLFYWEKSA-N 298.386 3.566 30 20 CHED N#Cc1ccc(Oc2ccc(C3CC3)cc2Cl)nn1 590085204 OLVXJIPLYBYVPD-UHFFFAOYSA-N 271.707 3.671 30 20 CHED CCO[C@@H]1CC(=NNc2cc(F)c(F)c(F)c2)C12CCC2 747642492 PRROKCRLFBSNJO-CYBMUJFWSA-N 298.308 3.851 30 20 CHED N#Cc1cccc(/C=C2/CCc3cc(C#N)ccc3C2=O)c1 742436428 BOMXIQHZUOCFOR-MFOYZWKCSA-N 284.318 3.642 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ncccc1Cl 921258202 PFQSNMQZFDUDJK-UHFFFAOYSA-N 271.751 3.806 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cc(C)sc1C 755823667 RLRCDYKYFOKZEZ-ZDUSSCGKSA-N 253.367 3.632 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851205344 FGURONQPRKRKLT-XUJVJEKNSA-N 251.370 3.540 30 20 CHED CCCCCCCCCCNC(=O)N1CCC[C@H](CO)C1 756098378 WWKWVCXKCCTQNE-INIZCTEOSA-N 298.471 3.541 30 20 CHED Cc1c(N[C@@H](C)CC(C)(C)C#N)cnn1-c1ccccc1 926109193 JHKWIKDMSFEXDN-ZDUSSCGKSA-N 282.391 3.921 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(Cl)nc(Cl)c2)C1 852319527 OGUORNQXEYJJRX-JTQLQIEISA-N 284.190 3.514 30 20 CHED C=C(C)COC(=O)c1cncc(-c2ccc(C)cc2)c1 757883000 GERZVUJLNIWGNP-UHFFFAOYSA-N 267.328 3.790 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C(C)=C\c1ccccc1Cl 755813367 FAZDCNGZMDWVFS-KLQCNHIUSA-N 276.767 3.552 30 20 CHED Cc1cn2c(C=NNc3cccc(F)c3)c(C)nc2s1 920386291 WDVSFNJKZAOCBG-UHFFFAOYSA-N 288.351 3.598 30 20 CHED COc1cc(N[C@@H](C)CC(C)(C)C#N)cc(OC)c1C 926479414 YYFOCVCTMFPYCY-NSHDSACASA-N 276.380 3.753 30 20 CHED CCc1oc2ccccc2c1C=NOCCC(C)(C)O 754276937 UUZMGSKVOXXPRS-UHFFFAOYSA-N 275.348 3.507 30 20 CHED C#CCCOC(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 858882742 SFXOUUAMYBDZBV-UHFFFAOYSA-N 292.640 3.898 30 20 CHED Fc1ccc(NN=CC2CCSCC2)c(F)c1F 853351610 NHSBATNOHBSJDP-UHFFFAOYSA-N 274.311 3.645 30 20 CHED C/C(C=NNc1cc(C)ccn1)=C\c1ccccc1 755904575 ZBZJXYNWFGSDMP-RKNTYAHGSA-N 251.333 3.891 30 20 CHED C#CCN(C(=O)Nc1cc(OC)c2ccccc2c1)C(C)C 933784188 KGOHYOAKLLHPND-UHFFFAOYSA-N 296.370 3.724 30 20 CHED N#Cc1cccc(SCCC2SCCS2)c1 853018705 POBSMKPSOSYSGL-UHFFFAOYSA-N 267.444 3.847 30 20 CHED Cn1cncc1C=NN(c1ccccc1)c1ccccc1 755464744 ASOXXMQSHSKGPC-UHFFFAOYSA-N 276.343 3.592 30 20 CHED C[C@H](C#N)N(C(=O)c1cc2c(F)cccc2s1)C1CC1 855585127 ZIJMGXOVHQTZIZ-SECBINFHSA-N 288.347 3.557 30 20 CHED CCC(CC)CC(=O)O[C@H](C)c1cccc(C#N)c1 759548520 VDEPYCYZHNRRRH-GFCCVEGCSA-N 259.349 3.989 30 20 CHED Cc1cc(F)ccc1/C=C1\Cc2ccccc2C1=O 750895697 IWYQCZLLOVGDQR-NTEUORMPSA-N 252.288 3.957 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2oc(S)nc2c1 856371923 BOPYWCWAVKKZFC-UHFFFAOYSA-N 290.388 3.591 30 20 CHED C=CCN(C(=O)c1cccc(Nc2nccs2)c1)C1CC1 935224085 HRILSXJWYHAJQL-UHFFFAOYSA-N 299.399 3.677 30 20 CHED N#Cc1cccc(COC(=O)/C=C\SCc2ccco2)c1 759844132 ZHBADIXAPQTEKH-VURMDHGXSA-N 299.351 3.642 30 20 CHED Cn1cc(C(=O)/C=C/c2c(Cl)oc3ccccc23)cn1 761199221 INKQRRYORZWYGU-VOTSOKGWSA-N 286.718 3.716 30 20 CHED CCSc1cccc(C=NN2Cc3ccccc3C2=O)c1 769801173 IWNQISCQLXJQIN-UHFFFAOYSA-N 296.395 3.789 30 20 CHED CC#CC(=O)Nc1ccc(C)cc1OCc1ccccc1 764401214 ARXIELZCOAZHMP-UHFFFAOYSA-N 279.339 3.536 30 20 CHED CCSc1ccccc1C(=O)OCC1(C#N)CCC1 768095844 WLTWRVHCYQUHSC-UHFFFAOYSA-N 275.373 3.649 30 20 CHED CSCCCC=NNc1nc2ccccc2[nH]c1=S 863125198 PJQDAWHRQABBAA-UHFFFAOYSA-N 292.433 3.833 30 20 CHED COc1ccc(CCNN=C2CCCC(C)(C)C2)cc1 767785384 NZFMQKWIJCPUBC-UHFFFAOYSA-N 274.408 3.784 30 20 CHED C=CCn1c(SCOCCC)nnc1-c1cccs1 863311285 GUYMGYFPIAHTFH-UHFFFAOYSA-N 295.433 3.669 30 20 CHED CO[C@H](C)C(C)=NNc1c(Cl)cc(F)cc1Cl 767910228 FXEPHMCSBBZLRS-SSDOTTSWSA-N 279.142 3.955 30 20 CHED CCCCC[C@H](C)NC(=O)[C@H](C#N)CCc1ccccc1 764146173 BTUIOZNLLLYGAB-RDJZCZTQSA-N 286.419 3.844 30 20 CHED CCCCCCCCCC(=O)Nc1cc(C)cn(C)c1=O 766742707 AGZCKIPJEJNZNM-UHFFFAOYSA-N 292.423 3.773 30 20 CHED N#Cc1ccc(CNN=Cc2ccccc2C2CC2)cc1 769820405 FBRNDNZPFNDSEW-UHFFFAOYSA-N 275.355 3.559 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)CC#Cc1ccccc1 1116272294 ZTFKQBWYOOAMIG-QZTJIDSGSA-N 283.415 3.903 30 20 CHED C=CC[C@@H](N[C@H](C)c1cccc(CO)c1)c1ccncc1 760161705 ZHPADKFWDNFCGD-RDTXWAMCSA-N 282.387 3.542 30 20 CHED Cc1cccc(CC(=NOCC(F)(F)F)C2CC2)c1 764845924 CFTNTZFBUPYKDX-UHFFFAOYSA-N 271.282 3.882 30 20 CHED CSCCCCC(=O)N(C)c1ccc(C#N)c(Cl)c1 876166978 HKBKLORWKUQEAQ-UHFFFAOYSA-N 296.823 3.708 30 20 CHED CCCCCCCCCC(=O)N1CCOC[C@@H]1C1CC1 760993500 JDIWXFLRAHJRDJ-MRXNPFEDSA-N 281.440 3.765 30 20 CHED CC[C@@H](Nc1cccc(CC#N)n1)c1cc(F)ccc1F 1116635994 AUAKGMARYGDFCG-OAHLLOKOSA-N 287.313 3.989 30 20 CHED CCCOc1cccc(CN(CCC#N)CC(C)C)c1 768155313 YMYIQJHANBVMBQ-UHFFFAOYSA-N 274.408 3.847 30 20 CHED Cc1nc(CN[C@H](CCC#N)c2ccccc2)sc1C 775554659 YNWNGBLLGGQFSR-OAHLLOKOSA-N 285.416 3.895 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccc(OC)cc1)C1CC1 877978857 FHXHXTPKPDVIKX-UHFFFAOYSA-N 287.403 3.789 30 20 CHED C#CCCCCCC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 779918759 XTQKLLBUILUJOK-HUUCEWRRSA-N 263.425 3.996 30 20 CHED C=C(Cl)COC(=O)c1coc(-c2ccccc2Cl)n1 776443388 HLPDXZVVSABJNS-UHFFFAOYSA-N 298.125 3.904 30 20 CHED Cn1ccc(/C=C/C(=O)c2cccc(Cl)c2Cl)n1 773153306 JQDLWSDJHKLDDL-AATRIKPKSA-N 281.142 3.623 30 20 CHED Cc1ccc(C(F)(F)C(=O)Nc2cccc(C#N)c2)cc1 779714878 FEYVNEWVVFISGV-UHFFFAOYSA-N 286.281 3.597 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](c2ccccn2)C2CC2)n1 1120873311 AMAVYXRWPRMYCH-MRXNPFEDSA-N 278.359 3.528 30 20 CHED COc1ccccc1C=NOCc1ccc(CF)cc1 777539376 QTJOFOLQEOZGMY-UHFFFAOYSA-N 273.307 3.715 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCCC[C@H]1C(C)C 1127599842 XIGGSAWOOWNQFO-KRWDZBQOSA-N 284.403 3.908 30 20 CHED C#CCCCCCC(=O)Nc1ccc(O)c(Cl)c1 779888370 HFDIFXVPMNGBSP-UHFFFAOYSA-N 265.740 3.568 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@H](CF)C1)c1ccccc1 881675838 ZYEMIFIAUQJSID-GDBMZVCRSA-N 275.367 3.554 30 20 CHED C=CC(C)(C)CC(=O)N1CCSC[C@@H]1c1ccccc1 889006546 FJFLHGUDEPPOEV-OAHLLOKOSA-N 289.444 3.905 30 20 CHED CC(C)C(C)(C)CNC(=O)c1ccccc1SCC#N 783816819 YNAPVVVQSNZPKQ-UHFFFAOYSA-N 290.432 3.714 30 20 CHED c1ccc2[nH]c(NN=C3CCC34CCCC4)nc2c1 788699538 YLDTZVIUUSUDDY-UHFFFAOYSA-N 254.337 3.685 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)/C(F)=C\C1CCCCC1 1123337433 QNURJRKHVZFWOK-PCRWRXJSSA-N 289.354 3.513 30 20 CHED C#CCCCCC(=O)OCc1ccccc1SC 781261215 VBUFDWBEUAWROF-UHFFFAOYSA-N 262.374 3.645 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C)c(OC(C)C)c1 786030108 CDXGGUKSJAUFJA-UHFFFAOYSA-N 282.771 3.656 30 20 CHED CCCC1(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)CC1 887703599 YWBOBNPZROAOOU-UHFFFAOYSA-N 296.414 3.845 30 20 CHED C#CCC1(C(=O)Nc2ccc(C)c(O)c2)CCCCC1 788518595 UHNPELFEQKKFGR-UHFFFAOYSA-N 271.360 3.613 30 20 CHED CCC(=NOC[C@@H]1CCOC1)c1cccc(Cl)c1F 788036899 OVNMVGUBBNQPOE-SNVBAGLBSA-N 285.746 3.646 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1cc(Cl)ccc1F 786630528 RQNCOGXZMQUDTQ-ZDUSSCGKSA-N 256.704 3.987 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccccc1Cl 782299049 FGUJQOHCPGHOKJ-ZDUSSCGKSA-N 250.773 3.842 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NOCC(C)C 782226984 CZKBHNKPSZKIGF-UHFFFAOYSA-N 259.353 3.544 30 20 CHED C#CCC1(C(=O)Nc2ccc(OC)cc2C)CCCCC1 788442917 LMMNLULSCGEURE-UHFFFAOYSA-N 285.387 3.916 30 20 CHED C=C1CC(c2noc([C@H](O)[C@H](C)c3ccc(C)cc3)n2)C1 896875673 KQEQPUHZKBPFRL-IUODEOHRSA-N 284.359 3.649 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNCCC(=O)OC(C)(C)C 783865907 KBNUQUUXSXMAAY-LBPRGKRZSA-N 282.428 3.510 30 20 CHED C=C1CC(c2noc(-c3cnc(CCC)s3)n2)C1 896881364 AFMGDGVMIOZOEZ-UHFFFAOYSA-N 261.350 3.579 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1cc(C)c(C)o1 799879221 UUWKRMBLGOXSQL-UHFFFAOYSA-N 287.319 3.949 30 20 CHED CC(C)CCCCCCNC(=O)N1CCC(C#N)CC1 105073515 JVLULLLHAQMJAZ-UHFFFAOYSA-N 279.428 3.538 30 20 CHED CC(C)c1ccoc1C(=O)OCc1cccc(C#N)c1 792600516 ZOZLCQGFFXUPJV-UHFFFAOYSA-N 269.300 3.632 30 20 CHED CCOC1(C(=O)O[C@@H](C)c2cccc(C#N)c2)CCCC1 792823949 OFZOFXSICPGKLI-ZDUSSCGKSA-N 287.359 3.512 30 20 CHED Cc1ccc2ccccc2c1COC(=O)c1ccc(C#N)o1 796154472 QKVSJISEKDBETN-UHFFFAOYSA-N 291.306 3.970 30 20 CHED O=C(/C=C\c1cc(F)cc(Cl)c1)c1ccnc(F)c1 794722356 PCNUZJVLOIJMQF-UPHRSURJSA-N 279.673 3.909 30 20 CHED N#Cc1cnccc1N1CCC[C@H](C2CCCCC2)C1 708223858 QCFKLKUVQWMQQH-HNNXBMFYSA-N 269.392 3.750 30 20 CHED CCCCCCCCOC(=O)C[C@H]1CCCOC1 795904420 UCESRSJOTVIBJW-CQSZACIVSA-N 256.386 3.707 30 20 CHED O=c1ccccn1N=CCCc1c(Cl)cccc1Cl 790169944 DFMMLXCAGJJYND-UHFFFAOYSA-N 295.169 3.622 30 20 CHED CCC(C)(C)[C@@H](C)NCc1ccc(OCC#N)cc1 710117430 QKPZYYNBFOGIMB-CYBMUJFWSA-N 260.381 3.503 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2CCCC[C@@H]2CC)c1 793414921 ZJGRCVVPHODMJW-RDJZCZTQSA-N 269.388 3.847 30 20 CHED N#C[C@H]1CC[C@@H](NCc2nc(-c3ccccc3)cs2)C1 1206091831 UHCWNXZFWTZXFV-GXTWGEPZSA-N 283.400 3.592 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCN(CC(F)(F)F)C1 793527658 ORGUFWYDTIEHTE-UONOGXRCSA-N 292.389 3.738 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCC2CCCC2)c1 728481183 NQSIVIQDUYBNOD-UHFFFAOYSA-N 269.388 3.991 30 20 CHED N#CCc1cccc(NC2CCC(F)(F)CC2)c1 592514818 BNUOHRVGOHAUSY-UHFFFAOYSA-N 250.292 3.742 30 20 CHED N#Cc1cccc(NCCc2ccc(Cl)cc2Cl)n1 80116793 ULBOTVFXGBQACY-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C=CCC1(NCc2ccccc2[N+](=O)[O-])CCCC1 595780053 GKBOOGYIWLRREN-UHFFFAOYSA-N 260.337 3.573 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C#N)c(F)cc2F)C1 1219883389 FWIJKQNSIFCVLP-MWLCHTKSSA-N 293.317 3.537 30 20 CHED COc1ccc(CNCC2(C)CCC(C)CC2)cc1C#N 1178634643 PPORCJAAYDWBMC-UHFFFAOYSA-N 286.419 3.873 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)OC1CCCCC1 1319293765 XWWSKZGXQJCAGR-ZDUSSCGKSA-N 286.375 3.543 30 20 CHED Cc1nc(Cl)c(Cl)cc1C(=O)OCC1(CC#N)CC1 1327123994 OXIJZUGBYBVPBE-UHFFFAOYSA-N 299.157 3.548 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc2cc(OC)ccc2c1 1321242150 UTYLGPKUKAWWFJ-GUYCJALGSA-N 285.387 3.700 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1nccnc1C 1320563512 YRNALZYXCGQFFN-UHFFFAOYSA-N 274.755 3.583 30 20 CHED C=C(CC)COC(=O)[C@@H](C)c1ccc(F)cc1F 1320021670 BEWQGCOEAXQDCA-JTQLQIEISA-N 254.276 3.578 30 20 CHED CCCOc1ccc(/C=C\c2cc(C#N)ccn2)cc1OC 1321003940 PFLQSLHSQIBWFF-XQRVVYSFSA-N 294.354 3.921 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)Cc1ccccc1F 1327790219 UXLZSNCIGNQRON-UHFFFAOYSA-N 292.398 3.960 30 20 CHED CSc1ccc(COC(=O)CC#Cc2ccccc2)cc1 1252980974 CVYXRIPYBUZZPV-UHFFFAOYSA-N 296.391 3.894 30 20 CHED C=C1CCC(C(=O)N(CC#N)c2ccc(F)cc2C)CC1 1331937152 LKUFIWDHWUULPZ-UHFFFAOYSA-N 286.350 3.737 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1cccc2c1CCCN2 1336473671 RXSFQJMZTFGKBP-UHFFFAOYSA-N 272.392 3.610 30 20 CHED CC[C@H](/N=C\c1ccc(O)c(O)c1O)c1ccc(F)cc1 1342194551 TZLVBASKFDYWIL-OCTXWABXSA-N 289.306 3.513 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1C 1344659644 ZETIOXVCQLPTKV-OAHLLOKOSA-N 283.375 3.829 30 20 CHED CCCCCCCCCSCc1cnnn1C 1261208125 GSPSEECVSRCIGC-UHFFFAOYSA-N 255.431 3.799 30 20 CHED Cc1cc(C)c(NC(=O)c2csc(C#N)c2)c(C)c1 1347983209 CIVTUACLSVZLKN-UHFFFAOYSA-N 270.357 3.797 30 20 CHED CC[C@@H](C#N)NC(=O)CCCSc1ccc(Cl)cc1 102350146 RUTTZOLLBDODRZ-LBPRGKRZSA-N 296.823 3.631 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)s1 1275984365 XBNVMLMMUUBJEJ-QWHCGFSZSA-N 290.432 3.956 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1nc(Cl)cs1 1279077398 KZJPUUVYLBADBN-UHFFFAOYSA-N 298.154 3.574 30 20 CHED Cc1cccc(C2(C(=O)O[C@@H](CC#N)c3ccco3)CC2)c1 1518001972 QMHBUSBJZVJIRR-INIZCTEOSA-N 295.338 3.818 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1ccccc1Cl 1522646726 WYDPHWPPJMYXFZ-UHFFFAOYSA-N 285.730 3.877 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc2cccc(Cl)c2s1 1526804599 KMOQTKBDEUANHU-JTQLQIEISA-N 292.791 3.929 30 20 CHED CN(CCC(C)(C)C)C(=O)c1cccc(SCC#N)c1 1537468362 CMUOKSKEKJLPOI-UHFFFAOYSA-N 290.432 3.810 30 20 CHED Cc1ccc(C(=O)N2CCc3cc(C#N)ccc32)c(Cl)c1 1535597100 FPJFIZFBMOHPHY-UHFFFAOYSA-N 296.757 3.723 30 20 CHED Cc1ccc(C#N)c(N(C)C[C@H](C)C2CCCCC2)n1 1472850968 NUIIYZLUXHGHNJ-ZDUSSCGKSA-N 271.408 3.914 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 1623025617 SOZCTFMIQULSJE-IINYFYTJSA-N 289.354 3.644 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1cc(C)cc(C#N)c1 1621390459 VFASUASTLZPPRP-CVEARBPZSA-N 272.392 3.872 30 20 CHED CC(C)C1(C)CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC1 1556276235 RPOVVOXFMFSXMX-KRWDZBQOSA-N 298.430 3.969 30 20 CHED COc1ccccc1Sc1nc(C#N)c(Cl)s1 1639359457 WRQCDPTZUBLJDO-UHFFFAOYSA-N 282.777 3.828 30 20 CHED C=C(CNC(=O)NC[C@H]1CCC[C@H]1C1CC1)c1ccccc1 1564882076 KGNZFXCGXIYYGT-MSOLQXFVSA-N 298.430 3.825 30 20 CHED Cc1cc(CN2CCc3cc(F)ccc32)ccc1C#N 1659594107 AAYHHQPCQQCWBC-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=CC[C@@H](C)N[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 1588735533 DCSJXOZEDLIETF-PRHODGIISA-N 288.174 3.673 30 20 CHED N#Cc1ccnc(CSc2ccc(Cl)cc2C#N)c1 1651842416 KWHSEONRVLQGRK-UHFFFAOYSA-N 285.759 3.771 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3ccc(Cl)cc32)nc1 1655727457 IXDGNCDKLXZEMB-CQSZACIVSA-N 269.735 3.706 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)c2ccccc2O1 1652912234 XJIVLDMAYXNSKC-UHFFFAOYSA-N 296.345 3.875 30 20 CHED CC(C)(CCC#N)CNc1cc(Cl)ccc1[N+](=O)[O-] 229678063 YFNFGXIBIWUBIK-UHFFFAOYSA-N 281.743 3.990 30 20 CHED N#C[C@@H]1CCCN(CCc2ccc3ccccc3c2)C1 1660079051 HCLKEQLOVMMIHU-INIZCTEOSA-N 264.372 3.618 30 20 CHED CC[C@@H](NC(=O)Nc1sccc1C#N)c1ccccc1 1663163062 GHHSRKKVJUKGEA-CYBMUJFWSA-N 285.372 3.893 30 20 CHED Cc1cc(C#N)ccc1COc1cc(C#N)ccc1C 230224692 OFLAUTPPMBEQBW-UHFFFAOYSA-N 262.312 3.626 30 20 CHED C[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)C1CC1 1597494291 SVXBHTKFCNKCME-MRVPVSSYSA-N 297.185 3.641 30 20 CHED CCN(CC1CCC1)c1ccc(C#N)c(Br)c1 230316204 XIDZIGSMWADONT-UHFFFAOYSA-N 293.208 3.947 30 20 CHED Cc1ncoc1-c1ccc(NCc2cccc(C#N)n2)cc1 1665705372 GGNLYXSUVKTAIP-UHFFFAOYSA-N 290.326 3.529 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2ccc(C)s2)cc1 8080333 YZPPLVLOCQBIHA-RMKNXTFCSA-N 286.352 3.739 30 20 CHED O=C(O)c1ccc(NN=C[C@@H]2CCc3ccccc32)cc1F 1776074731 QNUKDQWOQAUJCW-LBPRGKRZSA-N 298.317 3.652 30 20 CHED CCCCCCCCCCCN(C)[C@H](C)C(=O)O 1776784538 ABAVJKBZKYECNF-CQSZACIVSA-N 257.418 3.922 30 20 CHED CCC(=NNc1ccccc1C(=O)O)[C@H]1CC1(C)C 1776030648 BCSTYWCLZRKSMY-LLVKDONJSA-N 260.337 3.609 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc(C(C)C)cc1 152618140 PJARQMDBPMLUFT-MDZDMXLPSA-N 268.360 3.923 30 20 CHED CCCCCCCC(=O)N(C)[C@H]1CCCc2c1cnn2C 155065714 HUZKUTRUGGYBGH-HNNXBMFYSA-N 291.439 3.616 30 20 CHED Cc1ccc2oc(C(=O)O[C@H](C#N)C(C)(C)C)cc2c1 154556253 JUIKRCNADJBORQ-CQSZACIVSA-N 271.316 3.836 30 20 CHED COc1cccc([C@H](C)Nc2nc(Cl)c(C#N)s2)c1 804363250 XOBJYEOINSLMGW-QMMMGPOBSA-N 293.779 3.850 30 20 CHED C[C@@H]1Cc2ccccc2N1Cc1ccc(C#N)cc1F 11192969 WBBDVJRANHVRHD-GFCCVEGCSA-N 266.319 3.649 30 20 CHED Cc1cc(C(=O)N(C)c2ccccc2C#N)sc1C 127472963 BNKHXZUSHVCYTJ-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CC(C)(C#N)CCCSc1ccc2c(c1)OCCO2 147581833 UQVMCNLSXXNRFC-UHFFFAOYSA-N 277.389 3.880 30 20 CHED C[C@H]1CCC[C@H](N(C)Cc2cc(C#N)ccc2F)C1 42373855 KXMMZFFPPOFBFM-WFASDCNBSA-N 260.356 3.708 30 20 CHED C=CCCOCCNc1ccc(C(F)(F)F)c(C#N)c1 167337179 GQDXZVRLZWEUPA-UHFFFAOYSA-N 284.281 3.582 30 20 CHED N#Cc1cc(F)ccc1COc1cccc(Cl)c1 260825230 PJFLYGYUDUBWIQ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1cc(Cl)ccc1OCCOc1ccc(C#N)cc1 34651374 DDCJITURCBAVOR-UHFFFAOYSA-N 287.746 3.978 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CCO1 270789947 RFHOBJZKZUYRPT-YPMHNXCESA-N 293.798 3.612 30 20 CHED C=CCN(CC=C)C(=O)c1cc(Cl)nc2ccccc12 37295588 LBTAKKJJLMLYNI-UHFFFAOYSA-N 286.762 3.702 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)cc2C)cc1 165695345 AZHBIYRFTQRGMO-UHFFFAOYSA-N 265.312 3.648 30 20 CHED C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 48474413 OPOSCORVWXKHOY-IINYFYTJSA-N 291.782 3.912 30 20 CHED N#CC1(C(=O)NCCc2ccc(Cl)s2)CCCCC1 57388902 MNBCBMNPBLIHDU-UHFFFAOYSA-N 296.823 3.534 30 20 CHED C=CCCCCCN1CCCN(C2CCCC2)CC1 193354558 HKTRAIVSABPGGG-UHFFFAOYSA-N 264.457 3.683 30 20 CHED C=C(C)CCN1CC[C@H](C)N(Cc2ccccc2)CC1 509670856 AMWYZDXHLWMRKZ-KRWDZBQOSA-N 272.436 3.549 30 20 CHED C=CCCCCNCc1ccc(OC)c(OC(F)F)c1 312535130 VUKGUKHMDAYLGJ-UHFFFAOYSA-N 285.334 3.743 30 20 CHED Cc1csc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)n1 80274350 OSZIVEHSKDQJFP-VXGBXAGGSA-N 271.389 3.735 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CNCCc1cccc(C#N)c1 466426588 VHGKEEVAAFRWCT-MAUKXSAKSA-N 268.404 3.683 30 20 CHED C=C(C)CN(CCC1CCOCC1)Cc1ccccc1 433187636 PARAOYXARDSVBV-UHFFFAOYSA-N 273.420 3.881 30 20 CHED CC(C)[C@H]1CCC[C@H]1NCCc1cccc(C#N)c1 467453145 KBLFDBFKYHUQTF-IAGOWNOFSA-N 256.393 3.515 30 20 CHED Cc1nc(COc2ccc(C#N)cc2Cl)c(C)s1 443518487 GMBTXQPBNSPXRI-UHFFFAOYSA-N 278.764 3.864 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc2c(c1)CCO2 696034816 RVUPTTUYLHXFSU-ZDUSSCGKSA-N 277.433 3.581 30 20 CHED N#Cc1ccnc(NC[C@@H]2CCCC[C@H]2C(F)(F)F)c1 587991579 WNXCJWTZTGLCLI-NWDGAFQWSA-N 283.297 3.734 30 20 CHED N#Cc1cccc(COC(=O)c2cc3ccccc3o2)c1 4332192 QUPJISYOKYQNBK-UHFFFAOYSA-N 277.279 3.661 30 20 CHED CCCCCCCCC(=O)NC1CCC(C(=O)OC)CC1 106673819 JTZSNIWFNWQOLX-UHFFFAOYSA-N 297.439 3.585 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2ncsc2c1 104998863 GAAPNWITXWVBKP-UHFFFAOYSA-N 275.377 3.726 30 20 CHED N#Cc1cccc(OC2CCN(CC3CCCC3)CC2)c1 104712597 UXCSEGNZOGFQMX-UHFFFAOYSA-N 284.403 3.592 30 20 CHED CN(Cc1ccc2ccccc2c1)C(=O)C1(C#N)CCCC1 52738601 XRWCENHSPYCGFA-UHFFFAOYSA-N 292.382 3.882 30 20 CHED N#C[C@@H](C(=O)/C=C/c1cccs1)c1nc2ccccc2o1 54735033 ILDYJBDNNWGLKF-GUOLPTJISA-N 294.335 3.779 30 20 CHED CCOc1cc(/C=C2\Cc3ccc(C)cc3C2=O)ccc1O 108145193 KFKDOOBUEBTYJF-OQLLNIDSSA-N 294.350 3.922 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc2cc(OC)ccc2c1 116931760 MEJJAUSNQSPTAL-CYBMUJFWSA-N 298.386 3.612 30 20 CHED O=C(CC(F)(F)F)Nc1cc(C(F)(F)F)ccc1F 102730175 STCQJJKWTWMWQY-UHFFFAOYSA-N 289.150 3.735 30 20 CHED CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cccc(C#N)c1 106406997 QOKVCGIPXMAJRM-LLVKDONJSA-N 298.308 3.607 30 20 CHED C=CCCCC(=O)N(C)Cc1cccc(Cl)c1 175093523 RAZKUUPNJAJEOM-UHFFFAOYSA-N 251.757 3.655 30 20 CHED CC[C@H](Cc1ccccc1)NCc1cc(C#N)cs1 177695642 LUTWPTIFKJIAJZ-OAHLLOKOSA-N 270.401 3.731 30 20 CHED CN(C)c1cccc([C@@H]2CCCN2c2ccc(C#N)cc2)c1 117867017 ZTFNFEWURZVZLQ-IBGZPJMESA-N 291.398 3.966 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H](C)CC2CCCC2)n1 114617302 FUNHPMGFPPEQRJ-GWCFXTLKSA-N 276.405 3.844 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1 175870144 HOXPSTCPOLOUFO-HZPDHXFCSA-N 274.433 3.712 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)NCCCCC#N)cc1 174725628 IVMWVQOEYUIKFO-QGZVFWFLSA-N 299.418 3.926 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C)s1 62904465 SDUQQFGBYZRBOM-UHFFFAOYSA-N 296.395 3.757 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2csc3ccccc23)C1 179862509 YXKLXCUQNCBXBC-QWRGUYRKSA-N 271.341 3.750 30 20 CHED CC(C)CC1(CNC(=O)c2cccc(CC#N)c2)CCC1 176929487 WZQOMRAYGSOGBN-UHFFFAOYSA-N 284.403 3.699 30 20 CHED C#CCCCNC(=O)N[C@H](C)c1cccc2ccccc12 173420155 HGEHTSHYWWYINK-CQSZACIVSA-N 280.371 3.613 30 20 CHED N#Cc1ccnc(NCc2cc3ccccc3s2)c1 341843892 NTQLJUNMCSDGQO-UHFFFAOYSA-N 265.341 3.780 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1C1CCC1 301305398 UJAAYUBHPSLNAA-GFCCVEGCSA-N 295.308 3.741 30 20 CHED C=CCN(C(=O)c1ccc(F)cc1)c1ccccc1 60525682 IUOCGOVUOVVNFQ-UHFFFAOYSA-N 255.292 3.659 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccc(F)c(C)c1 303535431 SOKARLSXEAASGX-UHFFFAOYSA-N 299.345 3.629 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)CCC[C@@H]1C 178535232 CQYRGZOGSPBMKY-OLZOCXBDSA-N 285.391 3.909 30 20 CHED CC(C)CN(Cc1ccc(O[C@H](C)C#N)cc1)C(C)C 179702854 IPOVYTGFAPPJAR-OAHLLOKOSA-N 274.408 3.844 30 20 CHED N#Cc1cccc(N2CCC[C@H]2c2cccc(Cl)c2)n1 301551583 QWUXROZLHUUSQV-HNNXBMFYSA-N 283.762 3.948 30 20 CHED CCN(CC)CCS[C@@H](C#N)C1CCCCC1 176943268 JTIQRWNPDDENPH-AWEZNQCLSA-N 254.443 3.534 30 20 CHED C[C@@H]1CCCN1C(=O)c1ccccc1-c1ccccc1C#N 173147364 WHYDXTUEOYTQNL-CQSZACIVSA-N 290.366 3.850 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)c(C)c1 172034191 GSYPGIPVLZULQZ-MRXNPFEDSA-N 298.773 3.952 30 20 CHED C=CCOc1cccc(CNC(C)(C)c2nccs2)c1 116379912 FXECJIIFPRABOH-UHFFFAOYSA-N 288.416 3.733 30 20 CHED C=CCCC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 60364818 QWWWHQLTIKWYAI-HNNXBMFYSA-N 285.391 3.733 30 20 CHED CC(C)(C)c1ncc(/C=C2\Cc3cc(O)ccc3C2=O)s1 187220676 MYMMZHHFQLLACV-DHZHZOJOSA-N 299.395 3.969 30 20 CHED C=C[C@@H](CC(=O)N(CCC)CC1CC1)c1ccccc1 122424145 HNDCHZDQTMRPBQ-INIZCTEOSA-N 271.404 3.995 30 20 CHED C[C@@H]1CN(c2snc(Cl)c2C#N)[C@H]2CCCC[C@H]12 302134594 CWZLZFQBDPCSIM-KKZNHRDASA-N 281.812 3.683 30 20 CHED C=CC[C@@H](C(=O)N(C)CC1CCC1)c1ccccc1 187878951 FAZXTKGTTXNODL-MRXNPFEDSA-N 257.377 3.605 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)c1cccnc1 181376366 UTMXKFOAKRYXFG-KBPBESRZSA-N 275.396 3.529 30 20 CHED CC(C)C[C@H](CCO)CNc1ccc(C#N)c(Cl)c1 75062202 GLZRPVSPSZSPRV-LBPRGKRZSA-N 280.799 3.668 30 20 CHED Cc1ccccc1C1(C(=O)OCC2(C#N)CCCC2)CC1 183848607 DTABUULXRCFGIT-UHFFFAOYSA-N 283.371 3.654 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccc(F)c(F)c1 182553171 ZUHAKKWEPWSCGW-LLVKDONJSA-N 288.297 3.868 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](C)[C@@H](C)CC)s1 183299021 QSUFRMFGTXOJKG-VHSXEESVSA-N 264.394 3.803 30 20 CHED C[C@@H]1CC=CC[C@H]1COC(=O)C1(C#N)CCCCC1 72029734 FOJJLYJBVZKSRF-KGLIPLIRSA-N 261.365 3.606 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](C)CCCC(C)C 509015906 XLDIPXBYKOXPFQ-CYBMUJFWSA-N 272.392 3.811 30 20 CHED CCCN(CCc1cccs1)c1ncc(C#N)cc1F 413240938 VRVAGYRUFARUFZ-UHFFFAOYSA-N 289.379 3.613 30 20 CHED C=CC[C@@H](CC)NC(=O)C1CCC(C(F)(F)F)CC1 410143646 RSMSLQVDHOGUMR-HTAVTVPLSA-N 277.330 3.826 30 20 CHED C=CCOCCCC(=O)Nc1sc(C)nc1CC(C)C 127917702 CGLBCBQRCJBUQD-UHFFFAOYSA-N 296.436 3.571 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 77611339 CJGYQLSGVIYIRS-YOEHRIQHSA-N 299.418 3.668 30 20 CHED COc1cc(OCCCc2ccccc2)ccc1C#N 435792267 TXQKCVVHKUHFKG-UHFFFAOYSA-N 267.328 3.578 30 20 CHED C[C@@H](CCC#N)Sc1nnc(CCC2CCCC2)[nH]1 188288345 FPANUSQMWOQVDX-NSHDSACASA-N 278.425 3.712 30 20 CHED C[C@H]1CC[C@@H](C)CN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 410535553 TVRCKQLHRIEWJA-CABCVRRESA-N 298.430 3.774 30 20 CHED COc1ccc(N/C(O)=N/[C@H]2CC[C@H](C)CC2)cc1F 330693306 BMTUFNKVEGWAJZ-XYPYZODXSA-N 280.343 3.739 30 20 CHED CCCCCCCCCN1CCC2(CC1)OCCO2 125431034 DGOAPQYBHVLHJJ-UHFFFAOYSA-N 269.429 3.576 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)ccc1Br 129859710 YPEMTCALXIPMBT-JTQLQIEISA-N 297.196 3.844 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1 508497839 NROGDWOPWNHUDS-ZIAGYGMSSA-N 290.455 3.535 30 20 CHED CSc1ccccc1[C@H](C)NCC1(C#N)CCC1 450912479 STENLEITFBGXIN-LBPRGKRZSA-N 260.406 3.753 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OCCC)c(OCC)c1 180379267 DETNHXHWQVLHSH-UHFFFAOYSA-N 291.391 3.522 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 76709176 XZINYOBBAMNBBK-CABCVRRESA-N 296.757 3.954 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cccc(-c2cscn2)c1 410827755 LWYXVTHHSOUHTB-AWEZNQCLSA-N 299.399 3.574 30 20 CHED C#Cc1cccc(NC(=O)CCc2cccc(Cl)c2)c1 48439186 AWUSKRUPVZRMHK-UHFFFAOYSA-N 283.758 3.893 30 20 CHED C=CCC(C)(C)CNCc1ccc(OC)c(OC(F)F)c1 314963151 RRYCGSARRAGUAO-UHFFFAOYSA-N 299.361 3.989 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)CC1CCCCC1 411066558 OXMBJVAAUVRUQJ-UHFFFAOYSA-N 284.359 3.670 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1Nc1ncccc1C#N 80231368 RXWUGYXRVPHTLC-MEDUHNTESA-N 281.334 3.828 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(F)cc1C#N 410556982 LLMXSAWAIAHSAN-SMDDNHRTSA-N 274.339 3.852 30 20 CHED CC(C)(C)c1cc2c(NCCCC#N)ncnc2s1 414210699 NYOZEBGGNFICCZ-UHFFFAOYSA-N 274.393 3.704 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H](COc2ccccc2)C1 503314868 KEBUTHNASRLQFH-CQSZACIVSA-N 296.345 3.603 30 20 CHED Cc1cc(NCC2(C#N)CCC2)c2cccc([N+](=O)[O-])c2n1 419020415 KTQQVIPMCUITGJ-UHFFFAOYSA-N 296.330 3.557 30 20 CHED CCC1(CC)[C@H](/N=C(/O)C2CCC(=O)CC2)[C@H](C)[C@H]1OC 329118462 OMDQFHMQHDHADM-NILFDRSVSA-N 295.423 3.542 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)C2(C#N)CCCC2)cc1 132711024 HDXPRGFVICTFRG-UHFFFAOYSA-N 286.375 3.886 30 20 CHED CC[C@H](CC1CCCC1)/C(O)=N/[C@H]1CCc2c[nH]nc2C1 329825904 CCYFPJFXNGWLAB-HIFRSBDPSA-N 289.423 3.830 30 20 CHED CC(C)C/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1 42233005 ZYWWUIPDSJQLNZ-UHFFFAOYSA-N 291.372 3.531 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC#N 133194368 AMCHXZJBKPZMDL-UHFFFAOYSA-N 291.310 3.511 30 20 CHED C[C@H]1CCC[C@@H](C(O)=Nc2cccc3c2CN=C3O)C1 329266452 HJTHPXDNVHGDIH-WDEREUQCSA-N 272.348 3.919 30 20 CHED CCc1cnc(C/N=C(/O)[C@@H]2CCCc3sccc32)o1 329378807 MQVIPQIJXPCEER-GFCCVEGCSA-N 290.388 3.875 30 20 CHED C=C(Br)CNC(=O)N(CCCCC)C(C)C 195275580 UBRHXQJGYOMXRN-UHFFFAOYSA-N 291.233 3.505 30 20 CHED Cc1c(NC(=O)C[C@H]2CCC[C@H]2C)ccc(C#N)c1C#N 421552264 BHBIIMSTJURYTA-DGCLKSJQSA-N 281.359 3.503 30 20 CHED Cc1noc(C(C)C)c1/C(O)=N/C[C@@H]1CCCCS1 329680261 XTWQEBBFIPIKSV-NSHDSACASA-N 282.409 3.697 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccccc2C)cc1 49893821 DPELXUYVSXAUPT-GOSISDBHSA-N 292.382 3.894 30 20 CHED C[C@H](C#N)CN(C)[C@@H](C)c1ccccc1Br 514098363 GCNGMNPRUQFTHJ-MNOVXSKESA-N 281.197 3.602 30 20 CHED O/C(=N/[C@H]1CCOc2ccccc21)c1cccnc1C1CC1 329668243 RWZNCLCEIIYJGC-HNNXBMFYSA-N 294.354 3.787 30 20 CHED N#CCCC[S@](=O)Cc1cc(Cl)ccc1Cl 190805138 VYUATVSALZTEHX-INIZCTEOSA-N 276.188 3.546 30 20 CHED CCC[C@@]1(COC)CCCN1CCCC(C)(C)C#N 194923896 BZEZSPWLEHHKJG-INIZCTEOSA-N 266.429 3.597 30 20 CHED N#CCCCCN[C@@H]1CCSc2c(F)cccc21 194155924 ZLTOWLSCVBVSTE-CYBMUJFWSA-N 264.369 3.646 30 20 CHED C=CCCc1noc([C@@H](CC)OC2CCCC2)n1 420505730 SHGOYQHKXCEEQV-GFCCVEGCSA-N 250.342 3.599 30 20 CHED CC(C)CCCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425397546 SAEASWMRMPUUTK-AWEZNQCLSA-N 287.407 3.697 30 20 CHED CCN(CC#N)Cc1ccc(OCc2ccc(C)cc2)cc1 511519554 ASJDYXXQRNFHRN-UHFFFAOYSA-N 294.398 3.920 30 20 CHED C=C(C)CCN1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 510792109 PKSJBVZIGZSIDU-VYDXJSESSA-N 263.425 3.622 30 20 CHED CCCC[C@@H](Nc1cncc(C#N)n1)c1ccc(OC)cc1 420592091 YWGIRHDZHFLUKI-MRXNPFEDSA-N 296.374 3.700 30 20 CHED CCCC(C)(C)/N=C(/O)c1cc(C(C)(C)C)on1 330574268 FGTFEWVDQHOLKI-UHFFFAOYSA-N 252.358 3.855 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 192586892 CNKPFQPONVLENS-KBPBESRZSA-N 283.371 3.688 30 20 CHED CCC1(CC)CCC(/N=C(/O)c2csnn2)CC1 331078672 WJBIQPYDQHPQFN-UHFFFAOYSA-N 267.398 3.592 30 20 CHED CCCC[C@@H](CC)CNc1snc(C)c1C#N 233064214 PHELHKWBPXFKJO-LLVKDONJSA-N 251.399 3.952 30 20 CHED N#C[C@@H]1CC[C@H](Sc2ccc3c(c2)OCCCO3)C1 336193125 GWEWZIVHXHGNEB-NEPJUHHUSA-N 275.373 3.632 30 20 CHED Cc1cc2occ(/C(O)=N/[C@H](C)C[C@@H](C)O)c2cc1C 331035421 ZHUUMFRCLPCSFD-VXGBXAGGSA-N 275.348 3.514 30 20 CHED Cc1cscc1CN[C@@H](C)c1ccc(C#N)cc1 94877209 PYXKHMHTWRBLHB-LBPRGKRZSA-N 256.374 3.779 30 20 CHED C=C(C)CN1CCCN(C)c2ccc(Cl)cc21 516693755 SUCBLUSUQWYGAP-UHFFFAOYSA-N 250.773 3.562 30 20 CHED CC(C)C[C@@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 516899994 RDDCUFDUTSSMQV-ZDUSSCGKSA-N 287.363 3.729 30 20 CHED CCC(CC)[C@@H](CNCc1cccc(C#N)c1)N1CCCC1 236672472 GGWSRSXSMJERBW-LJQANCHMSA-N 299.462 3.548 30 20 CHED CCCCc1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 425624922 RDXDSOLZCWBWHM-GOEBONIOSA-N 285.391 3.843 30 20 CHED CCSc1nc2c(c(-c3ccco3)c1C#N)CCC2 338795213 RFWJWWRHLNIBTF-UHFFFAOYSA-N 270.357 3.814 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc(C(C)(C)C)co1 514947872 MYSJVBNAAQGHRM-UHFFFAOYSA-N 262.353 3.679 30 20 CHED CCc1nnc(C)cc1/C(O)=N/CCCC1CCCC1 330824444 QREGOXYXWOPDPY-UHFFFAOYSA-N 275.396 3.622 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CC[C@@H](C#N)C1 339193522 GZFMHMZTILTKAC-NVXWUHKLSA-N 286.423 3.534 30 20 CHED N#Cc1cccc(OCc2cc(F)ccc2Cl)c1 98057305 VJQGJXFMDLLDMH-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=C(CNC(=O)NCC(=C)c1ccccc1)c1ccccc1 512674614 YDTCHZZGWAMJEQ-UHFFFAOYSA-N 292.382 3.712 30 20 CHED C=CCCOCCNc1ccc(C#N)cc1C(F)(F)F 339702903 XSFYNUOKDXMRCJ-UHFFFAOYSA-N 284.281 3.582 30 20 CHED C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1ccccc1 433103769 LVZOPDOJSLKNKD-QAPCUYQASA-N 292.382 3.636 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1sccc1C(C)C 437491832 BMEJXLCOKORERN-GXTWGEPZSA-N 293.432 3.583 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(c2nccc(C#N)c2Cl)C1 342829316 DDKHWYVEIXNRFD-FZMZJTMJSA-N 298.777 3.589 30 20 CHED COc1ccc2oc(/C=C\c3ccncc3C#N)cc2c1 349116495 ZXIQNDAGIQLPNW-IHWYPQMZSA-N 276.295 3.878 30 20 CHED C/C=C/c1ccc(NC(=O)c2ccc(C#N)c(C)n2)cc1 345715970 WSKNJQVXZPELOM-ONEGZZNKSA-N 277.327 3.547 30 20 CHED N#CC1(CSc2ncc(-c3ccc(F)cc3)o2)CC1 347022826 PHYWWMXLZFCZCW-UHFFFAOYSA-N 274.320 3.877 30 20 CHED N#Cc1cnccc1/C=C/c1cc(Cl)cc2c1OCC2 349114957 WCNNVWJGQOQTNR-OWOJBTEDSA-N 282.730 3.712 30 20 CHED N#CC1(CSc2nnc(CCCc3ccccc3)o2)CC1 349141115 CUEMTWAVOJYLIW-UHFFFAOYSA-N 299.399 3.641 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccsc2)s1 430590930 JGIQOLBRFKKXLI-SNVBAGLBSA-N 290.413 3.992 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1O 436826205 JJVXDCAJPSYWRZ-AWEZNQCLSA-N 295.382 3.677 30 20 CHED CN(C(=O)C1CCCCCC1)c1ccc(C#N)cc1F 609216611 MOBDNTPLCAGKIO-UHFFFAOYSA-N 274.339 3.631 30 20 CHED Cc1cc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cs1 601875853 FUUQGWJSGWQFBG-LLVKDONJSA-N 284.384 3.746 30 20 CHED C[C@@H](CCC#N)CNc1ccc(F)cc1OCC(F)F 602583384 RHAIRGWXIMJUGS-JTQLQIEISA-N 286.297 3.821 30 20 CHED CC1(C)CCCN(Cc2ccc3occc3c2)[C@@H]1C#N 348427398 WLPHIVNUHSCDEP-MRXNPFEDSA-N 268.360 3.947 30 20 CHED C=CCC(C)(C)c1noc(-c2cnc3ccccc3n2)n1 340774946 NXWCYMKNUAEGJB-UHFFFAOYSA-N 280.331 3.534 30 20 CHED C=CC[C@H](CO)CN[C@H]1C[C@@H](C(C)C)c2ccccc21 447588544 VIZCNCOLMVXDAF-WBAXXEDZSA-N 273.420 3.645 30 20 CHED C=CCC1(C(=O)NCCCN2CCCC[C@H]2C)CCCC1 449103731 RUMKPABDJOKFBI-MRXNPFEDSA-N 292.467 3.504 30 20 CHED CC1(C)CN(CC2(CC#N)CC2)[C@H]1c1cccs1 602831840 IUUDENTUMGXUCI-ZDUSSCGKSA-N 260.406 3.825 30 20 CHED C[C@@H]1CCc2nc(CNc3cccc(CC#N)c3)sc2C1 449696814 KMVAATPGMKMVNN-GFCCVEGCSA-N 297.427 3.946 30 20 CHED C=CCN(CCC#N)Cc1cc(OC)cc(C(F)(F)F)c1 600162317 QPBLIAIIAJMNDF-UHFFFAOYSA-N 298.308 3.616 30 20 CHED C=C(CC)CN(C)Cc1cc(OC)c(OC)cc1SC 358514364 WJJQEQRRXZZHNG-UHFFFAOYSA-N 295.448 3.824 30 20 CHED CON=C1C[C@@H](c2ccccc2)Oc2ccccc21 254527536 MATFMUXRVJWSLS-INIZCTEOSA-N 253.301 3.561 30 20 CHED Cc1ccoc1CN1CC=C(c2ccc(C#N)cc2)CC1 355372435 ZHOQQGPCYSMJGT-UHFFFAOYSA-N 278.355 3.749 30 20 CHED CC(C)N(CCCN[C@@H]1CCc2ccc(C#N)cc21)C(C)C 353250212 FJTJJBDZPDNNJS-LJQANCHMSA-N 299.462 3.644 30 20 CHED C=C(C)CN(C)[C@H]1C[C@@H](OCC)C12CCCCC2 607749805 YZUDTWMNBTUWGW-LSDHHAIUSA-N 251.414 3.622 30 20 CHED CC1=Nc2ccccc2C12CCN(CCCCC#N)CC2 602859536 CYZYNLQJZRVGMF-UHFFFAOYSA-N 281.403 3.820 30 20 CHED C=CCCSc1nncn1-c1ccc(C)c(Cl)c1 606754464 HWIQEGBBVVKMOX-UHFFFAOYSA-N 279.796 3.897 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC1CC(F)(F)C1 449846565 ZCVYAXATMUZYAQ-UHFFFAOYSA-N 286.366 3.600 30 20 CHED CC(C)C[C@]1(CO)CCCN1CCCCC(C)(C)C#N 444717161 RGSXUAOBKZCYLD-KRWDZBQOSA-N 280.456 3.579 30 20 CHED C[C@@H](C#N)CN(C)c1ccnc2cc(C(F)(F)F)ccc12 536985013 FSXAIOAQXCBZNL-JTQLQIEISA-N 293.292 3.849 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Oc1cccc(C)c1Cl 447796822 XTYBKBJVSXFOJL-ZDUSSCGKSA-N 293.794 3.616 30 20 CHED CSCCCCCN[C@H]1CCc2ccc(C#N)cc21 353594009 FESIPNKYKBKDPC-INIZCTEOSA-N 274.433 3.668 30 20 CHED C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CC 358761238 WPCNVIWLOOYHTQ-UHFFFAOYSA-N 284.407 3.614 30 20 CHED C=CC(C)(C)CNCc1cc2cc(OC)ccc2o1 449486578 SYEMXCPJRUTANE-UHFFFAOYSA-N 259.349 3.743 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CCC(C)(F)F 610492325 BDWLBHGOAONTDA-UHFFFAOYSA-N 295.333 3.754 30 20 CHED C=C(CC)CNCc1cnc(-c2ccccc2)s1 449731521 IUQGYHKNQFOZQW-UHFFFAOYSA-N 258.390 3.866 30 20 CHED C=CCN(C(=O)Nc1ccc2ccoc2c1)C1CC1 443384142 VBFUNQCRUMTLAS-UHFFFAOYSA-N 256.305 3.615 30 20 CHED N#CCCN(C(=O)[C@@H]1CCC(F)(F)C1)c1ccc(F)cc1 619541789 FJJKGOKQPQBHFK-LLVKDONJSA-N 296.292 3.508 30 20 CHED C=CC(C)(C)CNCc1coc(-c2ccccc2)n1 449485908 PALIXKMGGUQCCA-UHFFFAOYSA-N 256.349 3.643 30 20 CHED C=CCC(C)(C)C(=O)Nc1nccc2ccccc12 615886205 HGBFRAKIDWDVIW-UHFFFAOYSA-N 254.333 3.776 30 20 CHED COc1cc2ccccc2cc1CN1CCC(F)(C#N)CC1 449317531 SGMKBGNFXMYZQO-UHFFFAOYSA-N 298.361 3.676 30 20 CHED C=C(C)COCCNCc1cc(C)c(C)cc1OC(F)F 531630730 YYCORCWPAQEPMH-UHFFFAOYSA-N 299.361 3.587 30 20 CHED C=C(C)CN(CC)C(=O)Cc1nc(C(C)C)c(C)s1 269619439 HRFQVFZTTDSDKS-UHFFFAOYSA-N 280.437 3.542 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1cc(Cl)ccc1Cl 267554381 YURWIGGCKKVQJQ-LLVKDONJSA-N 285.174 3.661 30 20 CHED C=CCOc1cccc(CN2CCC[C@H]2CSC)c1 354088459 PTFWDBGKBZVKIU-HNNXBMFYSA-N 277.433 3.579 30 20 CHED N#CC[C@H](CC(=O)Nc1cccc(F)c1)c1ccccc1 353335299 KQYFMMSBHMDWNI-CQSZACIVSA-N 282.318 3.852 30 20 CHED C=CCOc1ccc(CN(C)C2CCC2)cc1Cl 539836649 WBCFMOVPIWEQGY-UHFFFAOYSA-N 265.784 3.889 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](CCC)c1ccccn1 352511967 UVNIDJZFLVAGTN-AWEZNQCLSA-N 274.408 3.684 30 20 CHED C[C@H]1C[C@@H](C)CN(C[C@@H](C)N[C@H](C)c2cccc(C#N)c2)C1 537296359 YTZPOIFGYLDJJB-YYIAUSFCSA-N 299.462 3.575 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 617788290 FQKCESGQYSEKMT-OAHLLOKOSA-N 275.367 3.573 30 20 CHED CCCC[C@H](CCC)NC(=O)NCC(C)(C)CC#N 458506468 NTDHOABFZDURIH-ZDUSSCGKSA-N 267.417 3.584 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(F)cc2C#N)C1(C)C 610577736 CXVKYXXDUUKDCW-HIFRSBDPSA-N 286.350 3.874 30 20 CHED C=CCCSCc1nc(-c2ccc(F)c(C)c2)no1 532201431 RVZMSPIGYYRCGR-UHFFFAOYSA-N 278.352 3.993 30 20 CHED CCOc1ccc(CNCC(C)(C)CC#N)cc1OCC 459661660 BGNCVTTZHHMQJW-UHFFFAOYSA-N 290.407 3.513 30 20 CHED CCC(CC)N(CC)C(=O)Nc1cc(C)cc(C#N)c1 455958734 SNTMFBHWAHTXCO-UHFFFAOYSA-N 273.380 3.909 30 20 CHED C=CCC[C@H](N[C@H]1CCO[C@H](CC(C)C)C1)C1CC1 538580740 FXKPFNKJZUEENR-BBWFWOEESA-N 265.441 3.915 30 20 CHED Cc1cc(C)cc(C2(c3noc(CC(C)(C)C#N)n3)CC2)c1 453313025 RQEKGRUQWDAVOK-UHFFFAOYSA-N 295.386 3.859 30 20 CHED Cc1cc(NC(=O)NCC(C)(C)CC#N)c(Cl)cc1F 459560667 KGPFSLONUJJUMN-UHFFFAOYSA-N 297.761 3.849 30 20 CHED C=CCC[C@H](CCC)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 453273561 FTEIIWVUJDJKQB-HOTGVXAUSA-N 294.483 3.735 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1ccccc1 458268832 ZDAVITROAXFVPL-SIXLDLHFSA-N 269.388 3.651 30 20 CHED CC(C)Oc1ccc(CN2CCC(CC#N)CC2)cc1 541922152 PHSYODUITFSCRS-UHFFFAOYSA-N 272.392 3.599 30 20 CHED CCC(CC)[C@H](NC(=O)NC[C@H](C)C#N)c1cccs1 543805330 FKMXWSVSLFSCTD-RISCZKNCSA-N 293.436 3.684 30 20 CHED CC[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1 278158564 AUFLRLVETVNZIH-HZPDHXFCSA-N 272.392 3.557 30 20 CHED C=CCN(C(=O)Nc1ccccc1Cl)C1CC1 271437812 NUCKFLIKUSRIQC-UHFFFAOYSA-N 250.729 3.522 30 20 CHED CC[C@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 455794523 NFHOIKCURVYYIL-NSHDSACASA-N 289.379 3.656 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 459008195 UDPVYXBXYPQALG-TXEJJXNPSA-N 292.345 3.715 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@@H]1CSc2ccccc21 454913738 OGWLAEZFQOAVSK-OLZOCXBDSA-N 290.432 3.530 30 20 CHED C=CCC[C@H](C(=O)Nc1c(C)noc1C)c1ccccc1 275037315 UPPUDWOGBURIOQ-HNNXBMFYSA-N 284.359 3.980 30 20 CHED Cc1ccccc1[C@@H](NC(=O)NCCCC#N)C(C)(C)C 273165887 DGCLSEJXGLKGEG-OAHLLOKOSA-N 287.407 3.685 30 20 CHED Cc1cc(CN(C)C[C@H](C)C#N)ccc1Oc1cccnc1 271127734 LYTRKHAQPGOQCZ-CQSZACIVSA-N 295.386 3.774 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 452783134 LTYNEPSZKHLERG-HZPDHXFCSA-N 271.404 3.899 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](C#N)CCC)c1ccccc1 548288068 WOXSFUFGYAWXAQ-HZPDHXFCSA-N 270.376 3.545 30 20 CHED Cc1cc(CS[C@H](C)c2cccc(C#N)c2)on1 276134669 BGUXGPVKCIJASE-LLVKDONJSA-N 258.346 3.849 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)nc2)C1 278875481 XISGQNAFCPRBCC-HUUCEWRRSA-N 284.407 3.566 30 20 CHED CC[C@H](F)CN1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F 451841657 SIOWCQBJGZKTQH-XHNCKOQMSA-N 295.242 3.940 30 20 CHED N#C[C@H]1CC[C@H](Sc2nnc(-c3cccs3)o2)C1 278564900 MZCQPJWUQWNXHC-IUCAKERBSA-N 277.374 3.582 30 20 CHED Cc1nc(NC(=O)CCCC#N)ccc1-c1ccccc1 360628489 OYYHAQNXVBCIHC-UHFFFAOYSA-N 279.343 3.689 30 20 CHED C=C(C)CCNC(=O)Nc1ccnn1[C@H](C)CC(C)C 455166586 XIZQSDBCZILWFC-CYBMUJFWSA-N 278.400 3.578 30 20 CHED C[C@H](C#N)CSc1ccccc1NCC[C@@H]1CCOC1 453091398 PZBQEDOQTZSBQT-ZIAGYGMSSA-N 290.432 3.777 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CCOc3ccccc32)CCCC1 456485186 KXFOAUQSHAATJI-MRXNPFEDSA-N 299.414 3.805 30 20 CHED CCCCN(C(=O)NCCCC#N)[C@H](C)c1ccccc1 273588604 QCSJDWHXZCQIHT-OAHLLOKOSA-N 287.407 3.863 30 20 CHED C=CCCN(C)C(=O)C1(Cc2cccc(F)c2)CCC1 276359021 IUJYPDAZNYKADN-UHFFFAOYSA-N 275.367 3.573 30 20 CHED C=C(C)CNC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C 466833289 VEHQCOVSHDGNKN-HOCLYGCPSA-N 272.392 3.540 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CC(C)(C)C#N)C1 278288486 GQHFHKDETYLAAL-CABCVRRESA-N 284.403 3.639 30 20 CHED N#CCN(C(=O)C1C2CC3CC(C2)CC1C3)c1ccccc1 463680874 XOJZDYCKGGTXBB-UHFFFAOYSA-N 294.398 3.615 30 20 CHED C=CCN(Cc1csc(-c2ccccc2)n1)C1CC1 543619365 NCUZBHZLTUYFMR-UHFFFAOYSA-N 270.401 3.961 30 20 CHED C=CCN(CCCO[C@H]1CCCCO1)Cc1ccccc1 460379818 KAPUTGUNMATGMY-SFHVURJKSA-N 289.419 3.608 30 20 CHED C=CCCCC(=O)Nc1cc(C(=O)OC)ccc1C(C)C 467064814 OIXGUGNSTHKJQQ-UHFFFAOYSA-N 289.375 3.891 30 20 CHED C[C@H](C(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21)c1cccc(C#N)c1 462594940 SERAAGYNGDWRBB-ZZCKCESHSA-N 296.414 3.699 30 20 CHED COc1cc(C)ccc1CN[C@@H]1CCc2ccc(C#N)cc21 554983189 WMDAUYFDMSTORO-GOSISDBHSA-N 292.382 3.652 30 20 CHED C=C[C@](C)(CC)C(=O)N1Cc2ccccc2C(C)(C)C1 467965235 YASHKTHFSDCUHM-GOSISDBHSA-N 271.404 3.909 30 20 CHED CC#CCCN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 462322586 AOBVTVPODRXNMF-OAHLLOKOSA-N 271.404 3.709 30 20 CHED CC(C)(C#N)CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 286075832 JJFBJKNNPOKDSD-ZACQAIPSSA-N 296.414 3.721 30 20 CHED Cc1ccnc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 286267590 VGEJRCPXJWVKED-KGLIPLIRSA-N 265.360 3.674 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1CCC(C)C 466320961 RDVBSJHJSOOLKG-GJZGRUSLSA-N 266.429 3.951 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 464643331 MJZJITJWYBPVLE-INIZCTEOSA-N 294.329 3.996 30 20 CHED CCCC[C@@H](C)N(C)Cc1ccc(OCC#N)cc1 289825685 JLSUCIDFDZQATP-CQSZACIVSA-N 260.381 3.599 30 20 CHED CO[C@@H]1CCC[C@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 463662864 TUCHBOFRTRMWCA-IINYFYTJSA-N 298.308 3.804 30 20 CHED Cc1cc(C)cc(CN(C#N)c2ccc(F)c(C#N)c2)c1 467759303 MUWLJVOCWOWJQY-UHFFFAOYSA-N 279.318 3.802 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1 280286391 NTRISORUZWZGDZ-QGZVFWFLSA-N 296.414 3.892 30 20 CHED C=CCC(CC=C)C(=O)N1CCSC(CC)(CC)C1 464295886 CYZYTQZLURIGID-UHFFFAOYSA-N 281.465 3.889 30 20 CHED Cc1ccccc1CC(C)(C)NC(=O)c1cc(C#N)oc1C 280722819 VBNHBZXJJJEUOS-UHFFFAOYSA-N 296.370 3.519 30 20 CHED Oc1nc2ccccc2cc1/C=N/[C@@H](C1CC1)C(F)(F)F 287317639 VBMJOKRAQUDNQS-UJHWAJGWSA-N 294.276 3.700 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC1(c2cccc(C#N)c2)CC1 556610114 QMIKXRLZNDRNBZ-JKIFEVAISA-N 268.404 3.962 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H]1c1ccccc1 472875640 IGIJMVRGJGRCLO-MRXNPFEDSA-N 272.392 3.889 30 20 CHED C[C@@H](C=NNc1ncnc2sccc12)C(C)(C)C 800807838 AAXAESOHSSPNGA-VIFPVBQESA-N 262.382 3.771 30 20 CHED CC(C)(C)CCC(=NNCC(F)(F)F)c1cscn1 807985730 MFBMYPNJGUAIGZ-UHFFFAOYSA-N 293.358 3.825 30 20 CHED Cc1ccc2c(c1)CN(c1ccc(Cl)cc1C#N)CCO2 553336504 VMZWOBAYCVSSFN-UHFFFAOYSA-N 298.773 3.919 30 20 CHED CCCCOc1ccc(C(=O)/C=C\c2cnccn2)cc1 809157894 UAJSHQRWCPBQHQ-TWGQIWQCSA-N 282.343 3.552 30 20 CHED CC(C)(C#N)CCCNC(C)(C)c1ccccc1[N+](=O)[O-] 292105250 IKXUTQNATSKMSN-UHFFFAOYSA-N 289.379 3.749 30 20 CHED C=CCCCCCCNC(=O)c1cnn(CC(C)C)c1C 805221569 QJNLYONIAOPCFO-UHFFFAOYSA-N 291.439 3.714 30 20 CHED Cc1cccc(NN=Cc2ccc(C(C)(C)O)cc2)c1 807943724 JLNKJDUSIGXKHB-UHFFFAOYSA-N 268.360 3.668 30 20 CHED Cc1cccc(CNc2nc3cc(Cl)ccn3c2C#N)c1 561140527 DDKSZRLLBSRONZ-UHFFFAOYSA-N 296.761 3.780 30 20 CHED Cc1nsc(NCCc2ccc(F)cc2Cl)c1C#N 564675108 APXCGGXXIWIALD-UHFFFAOYSA-N 295.770 3.770 30 20 CHED C#CCN(C)C(=O)Nc1ccc(-c2ccccc2)cc1F 801612170 LWHLZVHJDQEUMU-UHFFFAOYSA-N 282.318 3.590 30 20 CHED C=CCOCCCN1C[C@H](c2ccccc2)C(C)(C)C1 470770661 CDXKPEAGNKORDN-QGZVFWFLSA-N 273.420 3.705 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCc2nc(Cl)ccc21 806176825 QAYXKJJQXMWMOX-LBPRGKRZSA-N 277.799 3.642 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1cccc(C#N)c1 805697650 CGQWUZNIDDTFJL-CYBMUJFWSA-N 270.332 3.637 30 20 CHED CN(Cc1cc(Br)cs1)[C@H]1CC[C@H](C#N)C1 293601900 VCLRVWMKNCVEFL-ONGXEEELSA-N 299.237 3.635 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nccc2ccccc12 290608267 HSNLFNNKUCQRSF-QOKNQOGYSA-N 296.414 3.867 30 20 CHED Cc1ccc(CCC(=O)Nc2scc(C)c2C#N)s1 292481854 YBPWFAHZFMZABJ-UHFFFAOYSA-N 290.413 3.869 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)nc2Cl)[C@@H]1C#N 801551028 HCWXJUUUWQJOOH-LLVKDONJSA-N 298.217 3.903 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(F)c([C@@H](C)O)c1 809715717 GCWFGAQAJXRQFY-QJPTWQEYSA-N 251.345 3.892 30 20 CHED CC(C)(C)[C@@H](NC(=O)CCCC#N)c1ccc(F)cc1 291920985 NKIDSBDYHNPVJP-HNNXBMFYSA-N 276.355 3.723 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C(C)C)C(C)C 567213699 WTEQHGLVEMJIEK-UHFFFAOYSA-N 254.418 3.522 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)CC#N 566547105 QNIWJZBMEBYSAB-KBPBESRZSA-N 279.428 3.584 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)CC(C)C)c2c1 488082910 FBNQHZQLFAXETQ-UHFFFAOYSA-N 253.349 3.507 30 20 CHED CCc1cccc(C)c1NN=C1CC(OC(C)C)C1 814922983 GOJQOYIJNSRWCT-UHFFFAOYSA-N 260.381 3.913 30 20 CHED C[C@@H]1CC=C(C(=O)N[C@](C)(C#N)C2CCCCC2)CC1 565875198 FQQLMIYXCCPMGX-CXAGYDPISA-N 274.408 3.712 30 20 CHED C=C1CCN(C(=O)C2(c3cccc(C)c3)CCCC2)CC1 561273258 XNGMYKUUYAOUDW-UHFFFAOYSA-N 283.415 3.985 30 20 CHED C=CCCCCNc1ccc(F)c(C(=O)OC)c1F 562774996 VSJWEDCBNFJJQY-UHFFFAOYSA-N 269.291 3.520 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1ccc(N)nc1 814871533 CSMMQWADEWPTOQ-UHFFFAOYSA-N 295.173 3.807 30 20 CHED CCC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccco1 814794508 GHXPVCCVCZQTAG-UHFFFAOYSA-N 290.273 3.660 30 20 CHED C=C[C@H]1CCCCN1C(=O)COc1ccccc1C(C)C 562353002 FKXKYKLHRLMFSW-HNNXBMFYSA-N 287.403 3.756 30 20 CHED CCCC(=NNC[C@H]1CCSC1)c1ccc(OC)cc1 814935426 NCBLENVCOAPDKT-CYBMUJFWSA-N 292.448 3.542 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 817101236 FWYSBGGJSSNLNE-OAHLLOKOSA-N 293.357 3.776 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(Cl)cc1 489799208 HQHLRLVGTOYEAH-UHFFFAOYSA-N 265.784 3.601 30 20 CHED CC[C@H](C=NNc1cncc(Cl)n1)c1ccccc1 814798097 ZJHJFCWJQUUCRM-LLVKDONJSA-N 274.755 3.722 30 20 CHED Oc1cccc(C=NOCc2ccc(F)cc2)c1Cl 814903763 ZKVBNJQODJSOPQ-UHFFFAOYSA-N 279.698 3.735 30 20 CHED CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNCC(C)C 814892561 XNHVOGJCKFZZNK-RDJZCZTQSA-N 274.408 3.571 30 20 CHED CCCOc1ccc(C(C)=NN[C@@H](C)c2ccncc2)cc1 819816164 YJRNYIACGLJCFI-HNNXBMFYSA-N 297.402 3.945 30 20 CHED C=CCCCC(=O)Nc1ncc(C(C)(C)C)s1 480121224 PQNHROGGLJEUPR-UHFFFAOYSA-N 252.383 3.735 30 20 CHED C=CCN(CCc1ccccc1)Cc1cc(C2CC2)no1 659856570 FCPBQGMKWHDZGH-UHFFFAOYSA-N 282.387 3.783 30 20 CHED N#CCC[C@H](NC(=O)C1(F)CCCCC1)c1ccccc1 810691409 BKFZIIUWBKIFFI-HNNXBMFYSA-N 288.366 3.820 30 20 CHED C=CCCCC(=O)NC1(c2ccc(Cl)cc2)CC1 480900551 RHCRWEICKYWTGH-UHFFFAOYSA-N 263.768 3.802 30 20 CHED C=C(Cl)CN[C@@H](c1ccc(OC)cc1F)C1CC1 817581925 USLSFSNEYPRXEU-CQSZACIVSA-N 269.747 3.628 30 20 CHED CCc1nocc1C=NNc1cccc2c1CCCC2 814811659 OYBWBVKTBAJCGU-UHFFFAOYSA-N 269.348 3.562 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)nn1C(CC)CC 488873512 CMJPHATVMQWXQJ-HNNXBMFYSA-N 289.423 3.733 30 20 CHED Clc1ccc(NN=C[C@H]2CCCOC2)c(Cl)c1 814752015 XBKRLPMFBFQUHC-SECBINFHSA-N 273.163 3.818 30 20 CHED N#Cc1cc2c(nc1NCCCc1ccccc1F)CCC2 480784100 ACOJZDWOGHTBRB-UHFFFAOYSA-N 295.361 3.626 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(C2CC2)c1 576954830 YQUOUAZRWFBZSO-MRXNPFEDSA-N 255.361 3.745 30 20 CHED N#Cc1ccc(NC(=S)N2CCCCCC2)cc1Cl 726433957 BZSYKCAGUIJJJP-UHFFFAOYSA-N 293.823 3.784 30 20 CHED C=CCCNc1ccc(Cl)cc1OCC(F)F 575783899 ISMZMUGYRVZIDV-UHFFFAOYSA-N 261.699 3.972 30 20 CHED C=CCCCCS(=O)(=O)Cc1c(C)cccc1C 571054972 DWGREKOYUZDMAX-UHFFFAOYSA-N 266.406 3.575 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C#N)c(F)c1 572768288 COOSSCWBFJWSDW-NHYWBVRUSA-N 289.354 3.740 30 20 CHED COc1ccc(/C=C2/Cc3c(C)cccc3C2=O)cc1OC 729151953 ZCEFSQFLVZMIFX-ZROIWOOFSA-N 294.350 3.835 30 20 CHED Cc1ccccc1CCC(=O)N(CCC#N)CC(C)(C)C 494444074 ZTZKHXHBWAILPT-UHFFFAOYSA-N 286.419 3.716 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C=C\CCC 729348683 WTTQWZDXKWECNK-GHXNOFRVSA-N 257.377 3.600 30 20 CHED CC1(C#N)CCC(NC[C@@]2(C)CC2(Cl)Cl)CC1 824779721 BAVVUIADORDLND-HTAVTVPLSA-N 275.223 3.632 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)C(C)(C)C 494899478 BJVMIOZPFLMZHS-CHWSQXEVSA-N 252.402 3.561 30 20 CHED N#CCC[C@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 492185574 VKXMYQMHPZXXNE-QWGSZXSUSA-N 296.395 3.923 30 20 CHED Cc1ccc(C(C)(C)CNC(=O)CCCCCC#N)cc1 588156517 YMTUXGQLVFTQAE-UHFFFAOYSA-N 286.419 3.863 30 20 CHED C=C[C@H](CC)CC(=O)N1CCOc2ccccc2[C@H]1C 826764078 TXGZASCSDWVBFT-ZIAGYGMSSA-N 273.376 3.571 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](CC)Cc1ccccc1 494885890 KOYBXVPQIQIXAF-IRXDYDNUSA-N 286.419 3.758 30 20 CHED C#C[C@H](NCc1ccc(Cl)nc1)c1ccc(Cl)cc1 491752094 VPJHHRHWARVUEB-AWEZNQCLSA-N 291.181 3.853 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2CCC[C@@H]3C[C@H]23)cc1C#N 825456235 SIJUMVFQXSBFDH-WPGHFRTFSA-N 299.374 3.727 30 20 CHED N#CC1(CCCCOc2ccc3nccnc3c2)CCC1 902723032 GZPPWRKCEQHPCX-UHFFFAOYSA-N 281.359 3.873 30 20 CHED CC[C@@H](NCc1ccc(C)c(C)n1)c1cccc(C#N)c1 903018045 WEUMRKVTTMDHBU-GOSISDBHSA-N 279.387 3.811 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cc(F)ccc1C 491658658 LQUPSAGYNLASPW-UHFFFAOYSA-N 296.345 3.801 30 20 CHED C[C@H](C=NN=c1cc[nH]c2ccccc12)c1ccccc1 730146729 DNGDLJHCPGKJPM-CQSZACIVSA-N 275.355 3.858 30 20 CHED CSc1c(F)cc(NC(=O)C#CC(C)(C)C)cc1F 837525130 WIIHYCURQNDDJC-UHFFFAOYSA-N 283.343 3.675 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc(C)c1F 839051324 DIZMPRRSFYRNQF-TZMCWYRMSA-N 275.323 3.682 30 20 CHED CC(=NNc1ccc(Br)cc1)c1nccs1 732621705 FXPZZDIDFKTTFK-UHFFFAOYSA-N 296.193 3.742 30 20 CHED CC(=NOC/C=C/c1ccc(Cl)cc1)c1cnn(C)c1 588557544 QHOMQFYTMDPHNR-XAHHXJBPSA-N 289.766 3.528 30 20 CHED Fc1cccc(NN=Cc2cccc(F)c2F)c1 730728017 GBWPSWPZESRDNO-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccccc1C(C)(F)F 836727991 TXTAJBUDKPCPEB-NSHDSACASA-N 280.318 3.722 30 20 CHED COc1cc([C@@H](C)NCC2(C#N)CCC2)ccc1SC 903031582 MGPFSAGOZGXPQA-GFCCVEGCSA-N 290.432 3.762 30 20 CHED COc1ccc2ccccc2c1CNN=C[C@H]1C[C@H]1C 835007136 PMZSEKGEYMMTLM-TZMCWYRMSA-N 268.360 3.580 30 20 CHED C=CCCCSCC(=O)NC1CCCCCCC1 735507363 QHVRGLCAACBJRL-UHFFFAOYSA-N 269.454 3.915 30 20 CHED CCc1c(NCc2cc(C#N)ccn2)cnn1C(CC)CC 901411704 SHFCBBJCVDQBQD-UHFFFAOYSA-N 297.406 3.685 30 20 CHED CC(CCCc1cccnc1)=NNc1cccc(Cl)n1 834981188 JPPVBTYRLXSCQZ-UHFFFAOYSA-N 288.782 3.941 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CC23CCCCC3)cc1 678370619 IITNYKBKAPEGOS-MRXNPFEDSA-N 285.387 3.704 30 20 CHED COc1ccc([C@H]2CCCCCN2C(=O)C#CC2CC2)cc1 837319733 LAAPQFHEFZGONV-GOSISDBHSA-N 297.398 3.552 30 20 CHED CC(C)CCn1cccc1CNCc1ccc(C#N)cc1 738428010 WLGPXRVEWBDRFY-UHFFFAOYSA-N 281.403 3.696 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1OCC(C)C 736962551 NPUAXTUEYSYDFO-UHFFFAOYSA-N 282.771 3.595 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1 730436818 MKOJQGCQHJRJLA-HWKANZROSA-N 294.350 3.971 30 20 CHED CCC(=NNCc1ccc(F)c(F)c1)c1ccccc1 915976105 INLILWSLCCVLCL-UHFFFAOYSA-N 274.314 3.869 30 20 CHED C=CCOC(=O)c1ccc(-c2ccc(OC)cc2)cc1F 730349637 HAWIWHOFORBPNK-UHFFFAOYSA-N 286.302 3.844 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1oc(CCC)nc1C 839362226 BYTRUYQHIJTJQK-OAHLLOKOSA-N 265.353 3.581 30 20 CHED C=CCCN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 678742731 PMKMDEILJFBURU-JTQLQIEISA-N 271.307 3.523 30 20 CHED COc1ccc2ccccc2c1CNN=C[C@@H]1C[C@@H]1C 835007134 PMZSEKGEYMMTLM-JSGCOSHPSA-N 268.360 3.580 30 20 CHED CC(C)n1ncc2ccc(NC(=O)C#CC(C)(C)C)cc21 837383207 LFKPHPGAUIAONX-UHFFFAOYSA-N 283.375 3.605 30 20 CHED CCOc1ccc(C=Nc2ccc(OC)c(F)c2)c(O)c1 915983376 ZPKMWCMLEXTHDS-UHFFFAOYSA-N 289.306 3.689 30 20 CHED C#CCNC(=O)[C@H](C)Sc1ccc(-c2ccccc2)cc1 917253926 OHTLHLBLDJVGOP-AWEZNQCLSA-N 295.407 3.584 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C 916707651 RHJLFVJUVRQHSM-UHFFFAOYSA-N 297.742 3.677 30 20 CHED N#CCCCCOC(=O)C1(c2ccc(Cl)cc2)CC1 914616170 SIDKIUQZWUQKIV-UHFFFAOYSA-N 277.751 3.609 30 20 CHED Cc1cccc(NC(=S)NN=Cc2ccsc2)c1C 915912452 TYOHYUHICVPXRU-UHFFFAOYSA-N 289.429 3.685 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 597352403 WVAFEQUJGMZIEB-KKUMJFAQSA-N 276.424 3.647 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 594258093 MCYKNNIIOGQGJF-YJBOKZPZSA-N 298.430 3.774 30 20 CHED C[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2nc(C3CC3)cs2)C1 842941451 PTDNQEGQBPHPMV-USWWRNFRSA-N 274.389 3.633 30 20 CHED C=C(CNC(=O)c1cc(C)ccc1F)c1ccccc1 672481235 MRXAXYRYRPNNOO-UHFFFAOYSA-N 269.319 3.577 30 20 CHED Cc1ccc2c(C=NNCc3ccccc3)c[nH]c2c1 917540371 MOEDHQQNJIACOO-UHFFFAOYSA-N 263.344 3.600 30 20 CHED CCC/C(C)=C/C(=O)OCc1ccc(C#N)cc1C 748923095 ZYIDJHWRIWMDKZ-XYOKQWHBSA-N 257.333 3.656 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C1(C(F)(F)F)CCCCC1 598825254 YTLPSXIXQYQIRM-NSHDSACASA-N 290.329 3.554 30 20 CHED C=CCOCCCC(=O)Oc1cccc(C(C)(C)C)c1 744021305 ZXGBEKVXLQYHFM-UHFFFAOYSA-N 276.376 3.872 30 20 CHED CCCC[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C(C)C 598824890 QXRXYWGWTIYLPJ-CJNGLKHVSA-N 266.429 3.893 30 20 CHED CC[C@@H](C#N)C(=O)N(CC(C)C)c1ccc(C)cc1C 846300518 NKDPDRZNFWXBRV-HNNXBMFYSA-N 272.392 3.842 30 20 CHED FCCCCN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 671678330 RGDZCTIMNCEWDE-DTORHVGOSA-N 295.242 3.799 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2ccc([N+](=O)[O-])cc2F)C1 590736752 CPXTZHDEUJPMQM-PSASIEDQSA-N 266.297 3.518 30 20 CHED CCCCN(C(=O)/C=C\c1ccccc1C#N)[C@@H](C)CC 914612120 UMHPXMUKJUWZSK-SSCKCOOKSA-N 284.403 3.999 30 20 CHED Clc1cncc(NN=Cc2ccc(-c3ccccc3)o2)n1 917548615 TXKHCIHMVIZUSF-UHFFFAOYSA-N 298.733 3.836 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 597993786 DESUAWFHOUEBOU-ROUUACIJSA-N 296.414 3.574 30 20 CHED CC(C)[C@H]1CN(C(=O)CCCCCC#N)[C@@H]1C(C)C 590874593 AHTCBCQTZLJFHR-GDBMZVCRSA-N 264.413 3.599 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(OC)c2ccccc12 599888064 PAYYWOXILZZQEP-GFCCVEGCSA-N 297.358 3.662 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1NC[C@H](C#N)CCC#N 591760871 KOWLDFYGUMQTEM-RVKKMQEKSA-N 281.403 3.733 30 20 CHED Cc1cccc(C=NNCc2ccccc2Cl)c1 918153246 SSDHSNFHRKFTGN-UHFFFAOYSA-N 258.752 3.772 30 20 CHED Cc1n[nH]c(C)c1C=NOCc1ccc(C(F)(F)F)cc1 746576561 OPMUGYIHBIOHIW-UHFFFAOYSA-N 297.280 3.596 30 20 CHED COc1cccc(/C=N\CCCC2CCCC2)c1O 918155552 URPPEAIJCSURSP-ATVHPVEESA-N 261.365 3.790 30 20 CHED N#CCC[C@H](NC(=O)NC1CC2(CCC2)C1)c1ccccc1 593382443 MHUBWXLOKGMQRS-INIZCTEOSA-N 297.402 3.663 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1cccn1C 743543869 LSERISPNCGRPDC-HNNXBMFYSA-N 293.455 3.821 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCCc1ccc2ccccc2c1 594085179 ITHSDUKZBXYXAX-GOSISDBHSA-N 294.398 3.923 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1c(C3CC3)cnn1C)C2=O 849250499 UUHZAFJPIKPEOB-ZENNRRHLSA-N 292.382 3.989 30 20 CHED Cc1cc(C)cc(NN=Cc2cnc3ccccc3n2)c1 744742304 FAXKNCZZFPVRQU-UHFFFAOYSA-N 276.343 3.693 30 20 CHED N#Cc1ccc(CCN[C@H](c2cccnc2)C2CCC2)cc1 595056777 WFCAIPIGDPHBHV-IBGZPJMESA-N 291.398 3.627 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccccc1F 747062485 YBGKAXKDVRMCOK-UHFFFAOYSA-N 287.294 3.878 30 20 CHED CC(C)Oc1ccccc1C=NOCCC1CCOCC1 842017353 MIKNTSADBVVEAL-UHFFFAOYSA-N 291.391 3.641 30 20 CHED Cc1cc(C=NNc2ccc(Cl)nc2)cc(C)c1O 743449679 DISDFMSPBCWQBJ-UHFFFAOYSA-N 275.739 3.503 30 20 CHED C=CCC[C@H](C(=O)NC[C@H](C)C1CC1)c1ccccc1 681654298 LGSFCHOMXJDQGU-YOEHRIQHSA-N 271.404 3.899 30 20 CHED CC(C)(C)CCCC(=O)OCC(=O)c1cccc(C#N)c1 748275303 DHINDOSHVKNQFX-UHFFFAOYSA-N 287.359 3.501 30 20 CHED C=CCCCC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 748684563 LJLKHBJBJWURKQ-UHFFFAOYSA-N 283.711 3.818 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2ccc(C#N)[nH]2)cc1 752503088 YYLFQOIIFGFJEA-DOTOQJQBSA-N 294.354 3.688 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)O[C@@H](C)CC(C)(C)C#N 851208794 DSKDVUNQYHKAJJ-ZFWWWQNUSA-N 295.423 3.986 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)C1CCCCCC1 929794541 IEPNXDXEFNMHSB-UHFFFAOYSA-N 270.376 3.662 30 20 CHED Cc1cc(C=NN2CCCC[C@H]2C)cc2cccnc12 853380900 XTVJHQXXQWQKOP-CQSZACIVSA-N 267.376 3.752 30 20 CHED C#CCCOC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 858921606 IMPUOOUUUAIVMN-UHFFFAOYSA-N 296.370 3.507 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@H]1CC[C@@H](C)C1 759280429 BECVBRQTZBLCRF-OLZOCXBDSA-N 287.359 3.689 30 20 CHED COc1cccc(NN=C[C@@H]2CCOc3ccccc32)c1 752163003 LQNCKVMKEBNSOH-ZDUSSCGKSA-N 282.343 3.659 30 20 CHED C#CC[C@H](/N=C\c1cc(OC)ccc1O)c1ccccc1 756846547 KKXQKFVJHIJZPU-NFBGKYEXSA-N 279.339 3.584 30 20 CHED C#CCN(C(=O)c1cncc(-c2cccc(C)c2)c1)C(C)C 928626415 CIZVFJLXHJTCTR-UHFFFAOYSA-N 292.382 3.541 30 20 CHED Cc1ccc(NC(=S)NN=C/C=C\c2ccco2)c(C)c1 920362046 IJYAXYQYZRYMQI-FDTFQMGPSA-N 299.399 3.882 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC(C)(C)C#N 921887938 MAEUSDYRHNUOHM-GDBMZVCRSA-N 299.418 3.514 30 20 CHED COc1cccc(/C=N/C[C@H](C)c2ccc(F)cc2)c1O 920176985 BXJNYRUCGNACKK-MKFNJMOCSA-N 287.334 3.763 30 20 CHED CCC(CC)C(=O)OCc1ccc(C#N)cc1OC(F)F 752541024 NLDJBFCPUINQCX-UHFFFAOYSA-N 297.301 3.639 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(C#N)ccc1F 758535276 MZYABWRBBABMEF-UHFFFAOYSA-N 273.307 3.509 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc2ncccc12 926031515 KPNJMFHIYTVGOO-GFCCVEGCSA-N 253.349 3.975 30 20 CHED COc1cc(Cl)ccc1CN[C@@H](C)CC(C)(C)C#N 924997004 DRSUGTSLTDZANI-NSHDSACASA-N 280.799 3.767 30 20 CHED C=CCC(C)(C)CN[C@@H](CCCN)c1ccccc1 925678704 WLPIPKHEKATREP-INIZCTEOSA-N 260.425 3.659 30 20 CHED N#Cc1cc(COC(=O)/C=C/c2cccc(F)c2)ccc1F 758911822 HDPIOJMYOKJIEF-FNORWQNLSA-N 299.276 3.593 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(Oc2ccccc2)cc1 754394419 ZLCJZWKZKDOULY-OAHLLOKOSA-N 279.339 3.621 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1NCCCc1ccco1 853961468 AHTXIKPMAFUCSM-UHFFFAOYSA-N 295.264 3.610 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](C)c1csc2ccccc12 753123561 ADJXBFAIAKVRGV-NWDGAFQWSA-N 286.400 3.673 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OCC#N)cc1 850444833 ZOBZRXPTGFGFJL-SJLPKXTDSA-N 284.403 3.813 30 20 CHED COc1ccc(NN=Cc2cc(F)c(F)c(F)c2)cc1 750920840 COXJTGCAAPFKIJ-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CC(=NNc1ccc(Cl)cn1)c1nc(C)sc1C 853437168 CYLRXZLFFZAIJM-UHFFFAOYSA-N 280.784 3.644 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1ccc2cc[nH]c2c1 935743588 LNKNYMOXQGFVDQ-GFCCVEGCSA-N 256.349 3.733 30 20 CHED CCc1oc2ccccc2c1CC(=O)OCC(C)(C)C#N 860645707 SIJWMRZLFHPIIW-UHFFFAOYSA-N 285.343 3.631 30 20 CHED CC(C)CN(CCC#N)Cc1ccccc1C(C)(C)C#N 767898586 IIIGVZLINPQUOC-UHFFFAOYSA-N 283.419 3.859 30 20 CHED O=C(O)c1cc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)ccc1Cl 864358355 VWPDIZGBWDGVFF-GARJFASQSA-N 290.750 3.648 30 20 CHED O=C(O)c1csc(/C=C2/CCc3ccccc3C2=O)c1 765824023 IPOZODVZUYRUMK-XFFZJAGNSA-N 284.336 3.659 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2csc(C)n2)CCCC1(C)C 767229016 QRHWVSTZVIKFPD-AWEZNQCLSA-N 292.448 3.587 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1ccc(C#N)s1 768190397 IPZOKDJJXQOHHM-LLVKDONJSA-N 271.341 3.846 30 20 CHED C[C@@H](OC(=O)Cc1ccc(F)c(Cl)c1)C(C)(C)C#N 860622792 CNZQVOHQOWPAPJ-SECBINFHSA-N 283.730 3.503 30 20 CHED CCc1oc2ccccc2c1CC(=O)OC1(C#N)CCC1 860593869 MRQBWSMNFMSKJY-UHFFFAOYSA-N 283.327 3.527 30 20 CHED Fc1cc(C=NNc2ccccc2F)c2ncccc2c1 760239658 OHQPGJKCTFIQON-UHFFFAOYSA-N 283.281 3.959 30 20 CHED CCO[C@H]1CCCC1=NNc1ccc(Cl)cc1[N+](=O)[O-] 766450555 OCZPMUPUOFFJBD-ZDUSSCGKSA-N 297.742 3.605 30 20 CHED N#CCOc1cc(F)ccc1NC(=O)C=C1CCCCC1 760786495 UZCUFLRNISJZNS-UHFFFAOYSA-N 288.322 3.557 30 20 CHED CC(Cn1nc(C)cc1C)=NOCCCC1CCCC1 764550038 ODEVAQJVQGKGBL-UHFFFAOYSA-N 277.412 3.863 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)OC[C@@H](C)C#N)oc12 770935412 DWADFZBEQSCNFQ-VIFPVBQESA-N 271.316 3.675 30 20 CHED COc1cccc2cc(CN(CCC#N)C(C)C)oc12 768764835 PBMYUODPZUGAHG-UHFFFAOYSA-N 272.348 3.565 30 20 CHED CC1(C)CN(C(=O)c2csc(C#N)c2)Cc2ccccc21 1117754231 GIMQLDQXZGOQIN-UHFFFAOYSA-N 296.395 3.553 30 20 CHED C=C[C@H](COC)N[C@H](CCC)c1ccc(Cl)cc1 1116643653 ROERLNAGRKPXPW-HUUCEWRRSA-N 267.800 3.972 30 20 CHED CCc1cnccc1C(C)=NNc1ccc(C)cc1 765541822 CCVRYPOUONPCMX-UHFFFAOYSA-N 253.349 3.789 30 20 CHED Cc1ccc(CC(=O)OCc2ccccc2C#N)c(Cl)c1 761994894 RCSKYZSAFZZWIK-UHFFFAOYSA-N 299.757 3.806 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccccc1C1CC1 1118398248 SDIJNKHJXIYGCF-CYBMUJFWSA-N 274.360 3.588 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(F)cc2C#N)s1 1524845856 WCWVJSMKISTNEA-UHFFFAOYSA-N 274.320 3.628 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)n(C3CC3)c2C)C1 1118782588 UMDXZZHBMPSSCQ-HNNXBMFYSA-N 286.419 3.868 30 20 CHED C=CCCCCCCCNCc1ccc(Cl)nn1 877540117 SMJGECBALJRXAO-UHFFFAOYSA-N 267.804 3.746 30 20 CHED C=CC[C@@H](C(=O)OCC(=O)C1CCCC1)c1ccccc1 778419819 VVADJMNAZLLVCM-MRXNPFEDSA-N 286.371 3.649 30 20 CHED N#C[C@H](C(=O)C1CCC=CCC1)c1cnc2ccccc2n1 873524594 XNBGDUDOBSDTRD-AWEZNQCLSA-N 291.354 3.552 30 20 CHED CCCCCCCCCNC(=O)NC[C@H]1CCO[C@@H](C)C1 770819498 NEINGIONDHCUJJ-HOTGVXAUSA-N 298.471 3.851 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)Oc2cc(F)ccc21 773171956 KXCMZJIOYZOCGR-MLPAPPSSSA-N 276.213 3.720 30 20 CHED CC(C)c1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)on1 776156424 KBVUOFPZBNZTJP-ZDUSSCGKSA-N 299.374 3.551 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C1CCCCC1)C1CC1 1116926704 QFUCMCCITIHVPW-UHFFFAOYSA-N 282.387 3.804 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(O)ccc1F 872067661 RJGGWDLUCXLMCH-ZMZPIMSZSA-N 296.345 3.741 30 20 CHED C#CCC(C)(C)C(=O)OCCCCc1ccccc1 772363345 NONGEDQGZSSCJO-UHFFFAOYSA-N 258.361 3.602 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(C)c(OC)c2)c1 773124589 JXOCOOYIYSHQLO-MDZDMXLPSA-N 282.339 3.908 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(-c2cccs2)s1 1116776620 QUPQCTSYHRAQFS-JTQLQIEISA-N 275.398 3.618 30 20 CHED C=C[C@@H](CC(=O)OCc1ccc(CO)cc1)c1ccccc1 778836801 GNALTZLNSZWPNR-KRWDZBQOSA-N 296.366 3.582 30 20 CHED C#C[C@@H](NC1c2ccccc2-c2ccccc21)[C@H]1CCCO1 775790230 HHNSKKXSHSBLNN-RTBURBONSA-N 289.378 3.527 30 20 CHED C#CC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 775400429 OZUNBLLNIQZPFH-INIZCTEOSA-N 298.317 3.588 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)Oc2cc(C)ccc21 779974420 YPUZAIQQKPZDNS-OAHLLOKOSA-N 285.387 3.693 30 20 CHED CCOCc1cc(C=NOC2CCCCC2)ccc1OC 777457221 OWGHXOCPXLDNLW-UHFFFAOYSA-N 291.391 3.915 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1CCOC2(CCC2)C1 888075402 WENYIJLZWPIREY-KRWDZBQOSA-N 299.414 3.551 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCO[C@H](CC)C1 780137002 IOGVPCATVSPAGT-ZIAGYGMSSA-N 256.386 3.705 30 20 CHED Oc1ccc(Cl)cc1/C=N/C[C@H]1CCCCS1 783682461 VUEJNKAGOZJUDA-AZZDOICSSA-N 269.797 3.750 30 20 CHED C=CCCO[C@H](C)C(=O)OC/C=C\c1ccc(Cl)cc1 787667959 JMQLFVZTVZXFJZ-CFHLNLSMSA-N 294.778 3.878 30 20 CHED CCCCCCC(=O)Nc1cnc(Cl)cc1C#N 1121114443 CSMBTPDYMAYWGP-UHFFFAOYSA-N 265.744 3.516 30 20 CHED C#CCC1(C(=O)Oc2ccc(F)cc2)CCCCC1 788423371 GQZXKPNJVCPIRS-UHFFFAOYSA-N 260.308 3.705 30 20 CHED C=C1CCC(C(=O)N2CCC[C@@H](OCCC)CC2)CC1 888861340 QRFDSIYPAGFXLR-MRXNPFEDSA-N 279.424 3.541 30 20 CHED C=CCCC[C@@H](N[C@@H](C)CCCO)c1ccccc1 883197156 DTWYLEUPIAFABS-DOTOQJQBSA-N 261.409 3.835 30 20 CHED COc1cc(C(C)=NNc2cccc(Cl)c2F)ccn1 782215806 UTLHHHGXEGNMTK-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C=CCn1c(C(CC)CC)nnc1N1CCC[C@H](CF)C1 1121605650 HBROHPPZEVWOFI-CYBMUJFWSA-N 294.418 3.554 30 20 CHED C=C1CC(c2noc([C@@H]3CCCC(F)(F)C3)n2)C1 896876864 BUDVVCJVLWBERT-SECBINFHSA-N 254.280 3.796 30 20 CHED C=CCC1(C(=O)NCC=C(Cl)Cl)CCCC1 898303965 BPCPXGBYYVQGAX-UHFFFAOYSA-N 262.180 3.558 30 20 CHED C[C@H](CC(=O)OCC(C)(C)C#N)c1c[nH]c2ccccc12 786483796 GVDLXIYNCFBEBA-GFCCVEGCSA-N 284.359 3.754 30 20 CHED C=CCN(Cc1cnc(CC(F)(F)F)s1)C(C)C 891675287 QWUVWYFAOALXIQ-UHFFFAOYSA-N 278.343 3.644 30 20 CHED O=C1/C(=C/c2ccc3cnccc3c2)Oc2ccc(F)cc21 782325378 BNCAOLWJIJYGIS-IUXPMGMMSA-N 291.281 3.990 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(-n2cccc2)cc1 782541491 KOJOAXVHXFTINX-UHFFFAOYSA-N 296.370 3.964 30 20 CHED CCc1ccc(C(C)=NNc2ncccc2F)cc1 794983276 FPZZJYJBPUQIIH-UHFFFAOYSA-N 257.312 3.619 30 20 CHED Cc1ccc(-n2c(Br)ccc2C#N)cc1F 98178575 AIBLFIRBBNLSAA-UHFFFAOYSA-N 279.112 3.559 30 20 CHED Cc1ccc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1C#N 799345819 PTQYYGRINAQVKD-LSDHHAIUSA-N 292.382 3.789 30 20 CHED C#CC[C@@H](N[C@H]1CCCc2cccnc21)c1ccccc1 798931254 JVMXCZLAEDEIIS-MSOLQXFVSA-N 276.383 3.813 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(Br)c(F)c1 389980951 IVRZRDOXMVUECM-IUCAKERBSA-N 272.161 3.813 30 20 CHED Cc1csc([C@@H](C)Nc2ccc(OCC#N)cc2)n1 701955307 AHGGQHFSGLCWPL-LLVKDONJSA-N 273.361 3.527 30 20 CHED C[C@H](C#N)CNCc1cccc(Oc2ccc(F)cc2)c1 1204012762 XSILKCVFVVERFC-CYBMUJFWSA-N 284.334 3.867 30 20 CHED CCC(CC)COC(=O)/C=C\c1ccccc1C#N 798895312 WTDKYLSWAOVJQN-KTKRTIGZSA-N 257.333 3.551 30 20 CHED COc1ccccc1CON=Cc1cc(F)ccc1F 799118426 FYTAJJJBENZDLU-UHFFFAOYSA-N 277.270 3.524 30 20 CHED CCCCCCCCN1CCC[C@H](c2nc(C)no2)C1 740875085 DAIIMJGLWOJHTK-HNNXBMFYSA-N 279.428 3.918 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 796576089 RSPNCMVWLRNNHC-INIZCTEOSA-N 286.419 3.847 30 20 CHED N#Cc1ncccc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 562239347 QEOODGUJJJRPQB-MNOVXSKESA-N 283.297 3.734 30 20 CHED C[C@@]1(C=NNCc2ccc(Cl)cc2)CCCS1 793026006 OZSONULVPFFTJD-ZDUSSCGKSA-N 268.813 3.701 30 20 CHED C=CCc1cc(CN[C@@H]2CCC2(C)C)cc(OC)c1OC 793530660 FHQSYOJXNFKDLC-MRXNPFEDSA-N 289.419 3.711 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H](C)c1ccc(F)cc1 797884375 LXSBAWFFWUIHJP-VIFPVBQESA-N 273.263 3.517 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(OC(C)C)cc1C 568806769 KXHSONXQKHUQRT-INIZCTEOSA-N 274.364 3.661 30 20 CHED C=CCCSCCNCc1ccccc1OC(F)F 594960857 XXNZHHVDFBJRCR-UHFFFAOYSA-N 287.375 3.687 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1c(Cl)cccc1Cl 586025814 FEBKQJLCTWSNPM-ZDUSSCGKSA-N 285.174 3.549 30 20 CHED COc1ccc(CN(C)CCCC(C)(C)C#N)cc1F 746654466 ODISQSCUQNKJFW-UHFFFAOYSA-N 278.371 3.596 30 20 CHED C#C[C@H](CC)NC(=O)c1cc(C(F)(F)F)ccc1Cl 695017117 KDOLEDNSDNAPIO-SECBINFHSA-N 289.684 3.500 30 20 CHED COc1ccc(CNc2ccc(Cl)cc2C#N)c(O)c1 695739294 STEFYPXJGXMYBD-UHFFFAOYSA-N 288.734 3.538 30 20 CHED N#Cc1cc(F)cc(NC2CCC3(CCOCC3)CC2)c1 1308902052 OAPYEBQXHBXUPQ-UHFFFAOYSA-N 288.366 3.849 30 20 CHED COc1ccc(C(C)=NNc2ccc(C(C)(C)C)nn2)cc1 1318626317 OLJADUJQTQNBTP-UHFFFAOYSA-N 298.390 3.619 30 20 CHED N#Cc1ccc(-c2nnc([C@H]3CC34CCSCC4)o2)cc1 1327038605 IPQXXOGBZRSBLJ-CYBMUJFWSA-N 297.383 3.609 30 20 CHED CC[C@@H](OC(=O)CC#Cc1ccccc1)c1ccc(F)cn1 1323491199 QLPAJJBELJUXIY-QGZVFWFLSA-N 297.329 3.657 30 20 CHED Cc1ccc(C)c(NC(=O)CC#Cc2ccccc2)c1 1323859667 YUXBHOUDRZITBM-UHFFFAOYSA-N 263.340 3.684 30 20 CHED C=C[C@H](COC)NC(=O)Nc1ccc(CCCCC)cc1 1320302235 QKDHVGYNBLLQEE-OAHLLOKOSA-N 290.407 3.742 30 20 CHED C=CCCCCCCNC(=O)c1cccc(C#N)c1C 1323279802 OIACRSVOFBRFMI-UHFFFAOYSA-N 270.376 3.733 30 20 CHED C=C[C@@H](COC)NC(=O)c1ccc(C2CCCCC2)cc1 1324021517 JXOMUDYSVDYDTP-KRWDZBQOSA-N 287.403 3.665 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1csc(C2CC2)n1 1336237415 BVBMFQCQRCAHRS-LBPRGKRZSA-N 276.405 3.591 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 1336388609 JWCUSNVYSFEEQL-IAGOWNOFSA-N 282.387 3.641 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C)c1ccc(C)o1 1337487714 FTQUVTLFIRRYQX-KBPBESRZSA-N 261.365 3.649 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1ccc(C2CC2)cc1 1194173058 YITNPMSHGCMNIP-UHFFFAOYSA-N 292.338 3.697 30 20 CHED C=C(C)Cn1c(-c2coc(C)c2)nnc1N1CCC(=C)CC1 1263330832 XAKQNKXFPXVGOG-UHFFFAOYSA-N 298.390 3.579 30 20 CHED N#CCOc1cccc(CN[C@@H]2CCC[C@H]2CCCF)c1 1344652216 XFNOMFZAILKHOP-DOTOQJQBSA-N 290.382 3.597 30 20 CHED C#CCCCCc1nnc(-c2ccc(Cl)cc2F)o1 1345997817 FJXDWGFEVNOWHK-UHFFFAOYSA-N 278.714 3.875 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 1346835796 JNJLPJDJXDDYHT-KRWDZBQOSA-N 286.419 3.772 30 20 CHED CC(C)Cc1nnc(C[C@H](CC#N)c2ccccc2)o1 1345561143 DXIJNJVOXLAYIA-AWEZNQCLSA-N 269.348 3.508 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@H](CSC)C1)c1ccccc1 1352229306 BOLOPEBNENUTEN-GOEBONIOSA-N 289.444 3.558 30 20 CHED C=C(CC)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 1519817362 LDLZJBQSLKCCPY-OAHLLOKOSA-N 279.330 3.985 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)c1ccccc1C(C)C 1517046139 LEXPEJDEIFMGBU-HNNXBMFYSA-N 281.359 3.516 30 20 CHED CCCCCCCCC(=O)N[C@H](CO)c1ccccc1 109110988 OMCAKVURRZXUTJ-MRXNPFEDSA-N 277.408 3.587 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)cc1F 1529895599 LPWYWSYDDOKARY-BBRMVZONSA-N 288.366 3.786 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)Nc1sccc1C#N 1467002775 ZVCWTAXQSCDWID-STQMWFEESA-N 291.420 3.764 30 20 CHED C#Cc1cccc(N(CC)Cc2cc(C(=O)O)oc2CC)c1 1602742550 YHWVCEAMTSITHI-UHFFFAOYSA-N 297.354 3.548 30 20 CHED CSc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1 1535451163 FPJZKQVEOCBETK-UHFFFAOYSA-N 286.331 3.672 30 20 CHED CC1CC(NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1466648779 QCNWSRVPCOLASF-UHFFFAOYSA-N 291.420 3.837 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cccc2c1ccn2C 1536628853 JDROXDQHHOOTOR-UHFFFAOYSA-N 289.338 3.611 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)C1 1478830968 ZARZVJXUYFDFKR-RHSMWYFYSA-N 291.439 3.538 30 20 CHED Cc1cc(C#N)nc(NCC[C@@H](C)CC(C)(C)C)n1 1472758532 VPGCZZOAOGSMIO-LLVKDONJSA-N 260.385 3.531 30 20 CHED N#Cc1cnc(N[C@@H]2CCC[C@@H]2c2ccccc2)c(F)c1 1612740288 SZKYHOUOWVBDFR-GDBMZVCRSA-N 281.334 3.841 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cc(C#N)c(F)cc1F 1624592606 REOFOKOCGHGYIV-SNVBAGLBSA-N 280.318 3.847 30 20 CHED CCc1c[nH]c2ncnc(N(CCC#N)CC(CC)CC)c12 1639732454 IEFJCDIICYVFSL-UHFFFAOYSA-N 299.422 3.677 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)c1 1562143917 VQWRWZSVILSGFN-MRXNPFEDSA-N 295.317 3.676 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 1565812393 VEUDBCRYJWMULF-ZYHUDNBSSA-N 292.329 3.535 30 20 CHED N#Cc1cccc(Sc2ccnc(-c3nccs3)n2)c1 1639590801 ZILZPXFOENMFOA-UHFFFAOYSA-N 296.380 3.623 30 20 CHED CC(C)[C@]1(C)C[C@H]1Nc1nc(C#N)c(Cl)s1 1640004881 SPPYFFMWOBSMFT-KCJUWKMLSA-N 255.774 3.515 30 20 CHED CCC[C@@H]1CN([C@@H](C)CCC#N)CCN1Cc1ccccc1 1642391938 KCUMCHOVSSXHDW-PKOBYXMFSA-N 299.462 3.665 30 20 CHED C=CCCCCCN(C)[C@@H](C)c1cccc(-c2nn[nH]n2)c1 1588593971 NNRDQBQXPRHBTD-AWEZNQCLSA-N 299.422 3.606 30 20 CHED N#Cc1ccc(OCC(=O)c2ccsc2)cc1Cl 1651933596 FXDFMHVBSLGSDL-UHFFFAOYSA-N 277.732 3.535 30 20 CHED Cc1cc(N2CC[C@H](C)[C@H]3CCCC[C@@H]32)ncc1C#N 1650801559 RMKXFYZNQJIKHN-MAZHCROVSA-N 269.392 3.667 30 20 CHED Cc1ccc(F)cc1[C@H](C)OC(=O)Cc1ccc(C#N)cc1 1584017386 VMFDATBZUOGHJA-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED Cc1cc(C#N)nc(NC[C@H]2CCC[C@H]2c2ccccc2)n1 1651096017 JYLQAYHRQZCMHT-WBVHZDCISA-N 292.386 3.653 30 20 CHED CC[C@H](CC(=O)Nc1cc(OC)c(C#N)cc1F)C(C)C 1588232190 DVRKZPTWGMLLNO-LLVKDONJSA-N 292.354 3.717 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CC[C@@H](CC)C1 1760375138 GCKGOEYYZDWJAK-GFCCVEGCSA-N 294.830 3.534 30 20 CHED Cc1c(NN=Cc2ccc([C@H]3C[C@H]3C)o2)cccc1C(=O)O 1776086081 ARZHSJGYRVEWES-YGRLFVJLSA-N 298.342 3.856 30 20 CHED O=C(O)/C=C\c1ccc(/C=C/C(=O)c2cccc(F)c2)cc1 1776129345 FXBSKQBUZSEWCP-GOOGBFEESA-N 296.297 3.820 30 20 CHED C=CC[C@@H]1CCCN(Cc2cc(C(=O)O)sc2Cl)C1 1776165151 NJFCAYAOHMYGJC-SNVBAGLBSA-N 299.823 3.888 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C(=O)O)c1ccccc1F 1776180800 GGQOFGLIVHPMDB-QGZVFWFLSA-N 299.345 3.640 30 20 CHED Cc1ccc(C=NNc2cccc(C(=O)O)c2)cc1Cl 1776037210 JLVRCYWMBUJYAX-UHFFFAOYSA-N 288.734 3.793 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccccc2F)cc1 16405940 PFILTRGLMQRIAH-MDZDMXLPSA-N 251.260 3.593 30 20 CHED O=C(/C=C/c1cccc(Cl)c1)c1cc(O)cc(O)c1 152686213 HWPVGNYAHOBWII-SNAWJCMRSA-N 274.703 3.647 30 20 CHED Cc1cc(F)cc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 152810311 GTZXIPSUGHLNJW-UHFFFAOYSA-N 297.333 3.670 30 20 CHED N#Cc1ccc(NC(=O)Nc2cc(F)c(F)c(F)c2)cc1 154120355 WCPARVONJZLQOP-UHFFFAOYSA-N 291.232 3.620 30 20 CHED C[C@H](NCc1ccccc1F)c1ccc(C#N)cc1 19949909 ZXOKGGKLKZCEGP-LBPRGKRZSA-N 254.308 3.548 30 20 CHED CCc1nnc(NCC(C)(C)C(C)C)c(C#N)c1CC 234151667 DHHREPSLPLLAEZ-UHFFFAOYSA-N 274.412 3.567 30 20 CHED CCN(Cc1ccc(C#N)c(OC)c1)c1ccccc1 233463487 UOLSREYORXGLLS-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C#Cc1ccc(CNc2cc(C)ccc2OC)cc1 809598886 XHUAVSITEQVKNV-UHFFFAOYSA-N 251.329 3.597 30 20 CHED N#CCc1ccc(NC(=O)CSc2cccs2)cc1 31545741 VDHOXOKQLAZGIM-UHFFFAOYSA-N 288.397 3.545 30 20 CHED CCCCC1CCC(C(=O)NCC(C)(C)C#N)CC1 167207723 WBOYZWBTEKXVCM-UHFFFAOYSA-N 264.413 3.649 30 20 CHED N#Cc1ccccc1OCCOc1ccc(F)cc1Cl 37865047 CVJGXYDASLXXSR-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C#CCN(C(=O)Nc1cccc(C)c1)C1CCCCC1 49444497 XDWWUEGLXNMJDL-UHFFFAOYSA-N 270.376 3.795 30 20 CHED C[C@H](c1ccccc1F)N(C)Cc1ccc(C#N)cc1 52073416 HDXWWTQSSAFQEH-CYBMUJFWSA-N 268.335 3.890 30 20 CHED C=CCCCCN[C@H](C)c1ccc(-n2ccnc2)cc1 312808650 RJBQRVGIJQKGGJ-OAHLLOKOSA-N 269.392 3.879 30 20 CHED C=C(CC)CNCc1cscc1Br 313483021 NOMINXFUOQRNFT-UHFFFAOYSA-N 260.200 3.566 30 20 CHED C[C@H]1CCC[C@@H](CNCCc2cccc(C#N)c2)C1 466409941 NKUMZMUZALVEDN-WMLDXEAASA-N 256.393 3.517 30 20 CHED C=C1CCN(C(=O)c2ccc(F)c3ccccc23)CC1 359458449 KYNZTBVFWUVTAZ-UHFFFAOYSA-N 269.319 3.771 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2cc(C#N)cc(Cl)n2)CCO1 721832599 KQUVVOLLNVAMGX-RYUDHWBXSA-N 293.798 3.612 30 20 CHED Brc1ccc(C=NOCc2ccccc2)o1 814791344 CRUAWHJIIPBXCT-UHFFFAOYSA-N 280.121 3.593 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccc(F)c1F 109812148 DACSPWNYZBVQTR-UHFFFAOYSA-N 266.335 3.727 30 20 CHED CCC1(C(=O)O[C@H](C)c2ccc(C#N)cc2)CCC1 177538744 HGKGLIJHWKUNDO-GFCCVEGCSA-N 257.333 3.743 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCCCO1)c1ccccc1 178757923 UDGGQJMGXJXOSZ-DLBZAZTESA-N 259.393 3.853 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C1CCCC1 54838571 MKIAZVFFMJCFRM-HNNXBMFYSA-N 285.347 3.625 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)c1cccc(CC#N)c1 171505352 DCJOUUYALVDLPG-AWEZNQCLSA-N 290.366 3.512 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 177080047 RJEVMRPYJKPASS-QZTJIDSGSA-N 299.414 3.791 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)NCCCCC#N)CC1 172184551 YIESOCLUHQQKTJ-AWEZNQCLSA-N 279.428 3.538 30 20 CHED C[C@@H](C#N)NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 173865543 VZLWNJLFPBLTNQ-LBPRGKRZSA-N 296.370 3.886 30 20 CHED CCC[C@]1(C)CCCN(C(=O)Cc2ccc(C#N)cc2)C1 173641770 CUKXBPSMDNCUSV-GOSISDBHSA-N 284.403 3.530 30 20 CHED N#Cc1ccc(NC(=O)CCCC(F)(F)F)cc1Cl 356127020 BTBXOBBBGBCLLF-UHFFFAOYSA-N 290.672 3.883 30 20 CHED N#Cc1ccc(-c2nc(CCCc3ccccc3)no2)cc1 109574681 VWIYCRGQDPJCPZ-UHFFFAOYSA-N 289.338 3.784 30 20 CHED C=CC1CCN(C(=O)Nc2ccccc2OC(C)C)CC1 111725456 ILRZVNZWBZCNCK-UHFFFAOYSA-N 288.391 3.904 30 20 CHED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1nc2ccccc2[nH]1 67369714 XSFMBXRHSDXBAS-SECBINFHSA-N 297.749 3.656 30 20 CHED COCCOc1ccc(/C=C2/Cc3ccccc3C2=O)cc1 171686022 UIQAKWPJELWFNY-VBKFSLOCSA-N 294.350 3.534 30 20 CHED C=C(C)CCOC(=O)c1csc(Cc2ccccc2)n1 174794409 PMYJDDACDYBYDL-UHFFFAOYSA-N 287.384 3.857 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(Cl)c(OC)cc1OC 119356362 LNNBDLPXPXAESM-NXEZZACHSA-N 269.772 3.582 30 20 CHED N#Cc1ccc(CNCCCCOc2ccc(F)cc2)cc1 69678903 VLKDFCDNBGBHJR-UHFFFAOYSA-N 298.361 3.646 30 20 CHED Cc1ccc(C#N)cc1NCc1ccn(C2CCCC2)n1 69993804 GZFMSBSSBSEVEQ-UHFFFAOYSA-N 280.375 3.790 30 20 CHED CC(C)(CNCc1cc(C#N)cs1)c1cccc(F)c1 177703450 BXEUOFRMBGNVDD-UHFFFAOYSA-N 288.391 3.826 30 20 CHED C=C(C)CN(CC)Cc1csc(Br)c1 60977796 TYIBPRHNHUDOGA-UHFFFAOYSA-N 274.227 3.909 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1C1CCCCC1 116974000 PBHSEFPYDYPXCX-HIFRSBDPSA-N 264.413 3.705 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(C#N)c1 171683563 FPSXLOFWKHQYCN-CYBMUJFWSA-N 291.354 3.709 30 20 CHED CC(C)C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C#N)c1 302201367 SGSHAWHVFXPHDV-AWEZNQCLSA-N 287.363 3.871 30 20 CHED C=CCN(C)c1cnc2cc(Cl)c(Cl)cc2n1 302529994 PXFHJZMAQLTVIK-UHFFFAOYSA-N 268.147 3.559 30 20 CHED Cc1cc(C)cc([C@@H](C)Nc2ncccc2C#N)c1 301215265 ZOQSXEIVCAPMRK-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#Cc1ccnc(SCCCCC(F)(F)F)c1 119147247 WQSBLGJJHDMLRZ-UHFFFAOYSA-N 260.284 3.778 30 20 CHED C[C@@H](Nc1ccnc(C(C)(C)C)n1)c1ccc(C#N)cc1 301521707 LOJLELSFIQDSIH-GFCCVEGCSA-N 280.375 3.819 30 20 CHED C=CCOCCCC(=O)Oc1ccc(Cl)c(C)c1 173924270 VKAOJZBOSWKNNM-UHFFFAOYSA-N 268.740 3.537 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 175592126 QCPCBTMKBCANNA-NSHDSACASA-N 280.437 3.974 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1ccc(F)c(C#N)c1 176816171 DUHYDDNWTNMARJ-UHFFFAOYSA-N 298.361 3.728 30 20 CHED N#Cc1ccc2c(c1)N(CCCc1cccc(F)c1)CC2 1193012699 UAULIVZIUCMVAC-UHFFFAOYSA-N 280.346 3.693 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1cccc(C#N)c1 123098860 LWTGLDFKINFDJJ-IRXDYDNUSA-N 299.418 3.668 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1ccc(C)nc1 189893931 DMNVALRBULZXQW-UHFFFAOYSA-N 296.370 3.540 30 20 CHED C=CCN(C(=O)c1ccc(OC)cc1F)c1ccccc1 128207266 VDLIKPAXYICTTQ-UHFFFAOYSA-N 285.318 3.667 30 20 CHED C=C[C@H](CC(=O)Nc1ccnn1CC(C)C)c1ccccc1 128964581 HWZYJCXJYJSHAV-OAHLLOKOSA-N 297.402 3.838 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc(CCC)s1 182581409 SKNHCNUILUSRAZ-NSHDSACASA-N 266.410 3.570 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@H](C)Sc1ccccc1 74822773 DEPFLJGGQOPOGY-AWEZNQCLSA-N 292.448 3.775 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1cccc(O)c1)C2=O 122536178 LJBBVIAUVHJQIV-GXDHUFHOSA-N 280.323 3.749 30 20 CHED CC(C)CC(=O)Nc1ccc(Nc2ncccc2C#N)cc1 78784036 UYVQMBYVSMKIKA-UHFFFAOYSA-N 294.358 3.681 30 20 CHED C=CCN(C)Cc1csc(Nc2ccccc2)n1 121400532 ANLJNQRWTZPSAM-UHFFFAOYSA-N 259.378 3.505 30 20 CHED N#CC1(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)CCC1 418144977 WDTSUODHMQSRMN-DLBZAZTESA-N 268.404 3.681 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccnn2C(CC)CC)c1 120725276 UHXMLPXPOXVHSE-UHFFFAOYSA-N 295.386 3.502 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(Cl)c(Cl)c1 70118922 RNJJBTKMSKTGFQ-UHFFFAOYSA-N 271.147 3.527 30 20 CHED CCN(C(=O)c1coc(C)c1)[C@@H](C)c1ccc(C#N)cc1 188740547 HTDQRDAUSYNKLP-ZDUSSCGKSA-N 282.343 3.683 30 20 CHED CC(C)[C@H](C#N)NC(=O)C(C)(C)Cc1ccc(Cl)cc1 410706602 VFSBASFOPRWRHE-AWEZNQCLSA-N 292.810 3.573 30 20 CHED CC1(C[S@@](=O)Cc2ccccc2C#N)CCCCC1 414287753 UOFIXWUMHBGPGF-IBGZPJMESA-N 275.417 3.777 30 20 CHED N#Cc1cnc(N2CCCC[C@H]2Cc2ccccc2)c(F)c1 413163903 BRKQFDRMUORADI-INIZCTEOSA-N 295.361 3.694 30 20 CHED CC(C)C(C)(C)CNCc1ccc(O[C@@H](C)C#N)cc1 189467310 KIQNDSKCYKEMSI-AWEZNQCLSA-N 274.408 3.749 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC)CCC 413830752 YCNKSUUOHDMFNF-INIZCTEOSA-N 274.408 3.615 30 20 CHED C[C@]1(c2ccccc2)CC[C@@H](NCC2(C#N)CCC2)C1 418144732 VBZKKDACLLCFLG-SJORKVTESA-N 268.404 3.780 30 20 CHED C=CCOc1ccccc1C(=O)N1CCCC[C@@H](C)C1 184387391 KQTIGADHANVYII-CQSZACIVSA-N 273.376 3.514 30 20 CHED CCCc1cccc(CN(CCC#N)Cc2ccccn2)c1 186936203 CUPHLVZNGJCZMI-UHFFFAOYSA-N 293.414 3.950 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2ccc(F)cc2C#N)c1 181680602 AOQJGEFGVWQZAA-UHFFFAOYSA-N 296.345 3.886 30 20 CHED Cc1nc(C(=O)Nc2cccc(C(C)C)c2)ccc1C#N 75723203 IJKIAYHIQMKEMN-UHFFFAOYSA-N 279.343 3.637 30 20 CHED CC[C@@H](CC#N)OC(=O)c1csc(-c2ccc(C)o2)n1 187900180 OTTXBJOVZQKHDK-JTQLQIEISA-N 290.344 3.561 30 20 CHED N#C[C@H]1CCC[C@H](NCCCc2ccc(Cl)cc2)C1 185822598 JPTKQXATTYXEKQ-HOCLYGCPSA-N 276.811 3.945 30 20 CHED CC#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1O 184838213 DQGJDVPBEIPGQO-UHFFFAOYSA-N 285.265 3.543 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCCc1ccc(Cl)cc1 410825826 GNWHQMNFMIXRNX-HNNXBMFYSA-N 292.810 3.813 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)c1cccc(C#N)c1 75270264 FHRWCALLWINPJT-STQMWFEESA-N 296.345 3.678 30 20 CHED C[C@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)C1CC1 187300158 NYDIEFGAYLFYJH-MKQDKFQKSA-N 276.424 3.647 30 20 CHED CCC(CC)n1ccc(CNc2cccc(CC#N)c2)n1 313434510 HRUGEEUFMLLHLG-UHFFFAOYSA-N 282.391 3.922 30 20 CHED CCN(CCC(C)(C)C#N)[C@H](C)c1ccc(C#N)cc1 157703925 QORVHHRUBBZOAN-CQSZACIVSA-N 269.392 3.881 30 20 CHED Fc1ccc2c(c1)[C@H](O/N=C1/CCCOCC1)CCC2 180495457 OPBWKALCDSZVCM-VVZNPABPSA-N 277.339 3.776 30 20 CHED N#Cc1c(F)cccc1OCCC1(C#N)CCCCC1 418924863 QIMFSKQEPVRIRR-UHFFFAOYSA-N 272.323 3.940 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)Cc1cccc(Cl)c1 187905443 YOCABRACBGDKNE-INIZCTEOSA-N 295.810 3.527 30 20 CHED CCC[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 72678612 XHZKITPFFKROJQ-LBPRGKRZSA-N 262.328 3.509 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 183861986 ZQVJZAHMLJSIOU-KURKYZTESA-N 292.382 3.752 30 20 CHED O=C1CCOc2c(N=C(O)[C@H]3CCCCS3)cccc21 329666742 RGZCOUNVHWCLHW-CYBMUJFWSA-N 291.372 3.526 30 20 CHED C[C@H]1CC[C@H](C(O)=Nc2cccc3c2CN=C3O)C1 329270587 IWPICZVHAQFEMT-UWVGGRQHSA-N 258.321 3.529 30 20 CHED N#Cc1ccccc1CN1CC[C@H]1c1cccc(F)c1 610505211 CKVIJKKCTPEQEC-KRWDZBQOSA-N 266.319 3.644 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)cc2)C1 505094762 VELFLGLPULHTMW-CVEARBPZSA-N 270.376 3.503 30 20 CHED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)c(Br)c1 381538885 GVSQGONGUNSFQX-QWRGUYRKSA-N 279.181 3.862 30 20 CHED C=CCN(C(=O)c1cccc(Br)c1C)C(C)C 88445313 BAASATCJSJSMAY-UHFFFAOYSA-N 296.208 3.794 30 20 CHED CCN(C/C(C)=C/c1ccccc1COC)C[C@H](C)C#N 507586213 VWINIQFGNVABGA-AAGJOFLKSA-N 286.419 3.718 30 20 CHED CC[C@@H](C#N)OC(=O)CSc1ccc2ccccc2c1 84698168 RPTIXMLIALJCAS-AWEZNQCLSA-N 285.368 3.777 30 20 CHED CC(C)[C@H](NCc1ccc(C#N)o1)c1nc2ccccc2[nH]1 85301497 NNLJYTDFSVMILF-INIZCTEOSA-N 294.358 3.514 30 20 CHED CC[C@@H](Nc1cncc(C#N)n1)C(C)(C)c1ccccc1 420593910 CKNCMUYHAFVGMM-OAHLLOKOSA-N 280.375 3.517 30 20 CHED C[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C1 429559199 GVRRTZBCUKWXMQ-BXUZGUMPSA-N 294.345 3.780 30 20 CHED C[C@@H]1CC(C(O)=Nc2ncc(C3CC3)[nH]2)C[C@@H](C)C1 329298137 LHJKYEHDINKWQM-UWVGGRQHSA-N 261.369 3.947 30 20 CHED CC(C)(C)n1cc(/C=C/C(=O)c2cc3ccccc3o2)nn1 191212581 PGLRGRBQLMISRW-CMDGGOBGSA-N 295.342 3.675 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cc2ccc(C)cc2o1 426059028 NLPWNVUEBBTEHZ-UONOGXRCSA-N 273.376 3.576 30 20 CHED CCCCCCCCNCc1cc([N+](=O)[O-])ccc1O 225972995 GWXDBOHCFIAKQK-UHFFFAOYSA-N 280.368 3.751 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2ccc3ccn(C)c3c2)CCC1=O 328953536 YBAAPALYIPVVJC-AAEUAGOBSA-N 284.359 3.772 30 20 CHED C=CCc1cccc(C(C)C)c1NC[C@H]1C[C@@H](O)C1 421199855 FOVXHMZFXGCQNC-OTVXOJSOSA-N 259.393 3.721 30 20 CHED CCCCC[C@H](C(=O)N1CCC(C#N)CC1)C(C)C 130214187 HVURECOQJKRWNC-HNNXBMFYSA-N 264.413 3.601 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1conc1CC 513344480 YZGZMGSNAGHPDP-UHFFFAOYSA-N 270.376 3.815 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H](C)[C@H](C)C1)c1ccccc1 427556757 QKZHRBVSDGEJEF-UXLLHSPISA-N 271.404 3.851 30 20 CHED C#CCN[C@H](c1c(Cl)cccc1Cl)C1CC1 381488371 KVZUYFOTRRSYMD-ZDUSSCGKSA-N 254.160 3.667 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(CCC#N)CC(F)(F)F)C1 80857444 UECYEBRPIFVYJQ-VXGBXAGGSA-N 290.329 3.507 30 20 CHED Cc1cc(C#N)ccc1COc1ccc([C@H]2CCOC2)cc1 190300253 BSJDSHLJUHFPQA-SFHVURJKSA-N 293.366 3.950 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)C1(C#N)CCCCC1 381738088 OJVBVEGPWZYMGR-UHFFFAOYSA-N 264.413 3.649 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCC[C@H](C)C1 337902903 RSKAMBNVOLSZMN-SWLSCSKDSA-N 270.376 3.517 30 20 CHED CCCC/N=C(/O)Nc1ccc2c(c1)CC(C)(C)O2 330950085 CZNWXWJVUPTWRV-UHFFFAOYSA-N 262.353 3.526 30 20 CHED COc1ccc([C@H](C)NCc2ccc(C#N)s2)c(F)c1 421878751 MGRRUTFLNVDCRM-JTQLQIEISA-N 290.363 3.618 30 20 CHED CC(C)[C@@H](Nc1ncccc1C#N)c1ccccc1 198928844 YTJYNWHKDQZYOC-OAHLLOKOSA-N 251.333 3.762 30 20 CHED COc1cc(C)c(N/C(O)=N/[C@@H]2CC[C@H](C)C2)cc1F 331279910 BEIWHYODBUWUFD-GXSJLCMTSA-N 280.343 3.657 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCCC(C)(C)C1 339364369 UDGICHRSLHYUHC-OAHLLOKOSA-N 278.440 3.991 30 20 CHED CCC[C@@H](C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425124086 DVWZLCAFYDKRAW-KGLIPLIRSA-N 272.392 3.904 30 20 CHED Cc1nc(S[C@@H]2CC[C@H](C#N)C2)c2ccccc2n1 334624955 RPHSEUTUYRVFDV-NWDGAFQWSA-N 269.373 3.723 30 20 CHED C[C@H]1C[C@@H]1c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 336558397 ZQYHICCVSFYCBP-ZANVPECISA-N 285.322 3.530 30 20 CHED CCCCCCCCC(=O)N(C)Cc1cscn1 149474619 ZGZCPTJQQROQCR-UHFFFAOYSA-N 268.426 3.852 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(N(C)CCC#N)cc2)[C@@H]1C 98078518 LPYYBYCQLOQGMJ-GPMSIDNRSA-N 299.462 3.951 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc(F)c2ccccc2c1 338974504 YQZHZNRJILQISJ-GFCCVEGCSA-N 284.334 3.601 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)cn1 144248992 UDXADJONMOWRDV-SOFGYWHQSA-N 296.301 3.715 30 20 CHED N#Cc1cccc(C(=O)NCCCc2cccc(Cl)c2)c1 96694557 QYNCYCYAZLLDEK-UHFFFAOYSA-N 298.773 3.574 30 20 CHED Cn1cc(N[C@H]2CC[C@H](C#N)C2)c(C2CCCCC2)n1 333563929 OMJSVZBKLPYXGZ-JSGCOSHPSA-N 272.396 3.572 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(CC#N)cc2Cl)C1 335040207 LXTJPJDLRCCLJN-ZYHUDNBSSA-N 276.767 3.781 30 20 CHED N#CCCN1CCc2ccccc2[C@@H]1c1ccccc1 339608467 NVEVFENUYXBQLY-SFHVURJKSA-N 262.356 3.548 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCc1cccc(C)c1 436280971 CQKSZZDZPYFWNF-NEWSRXKRSA-N 287.447 3.887 30 20 CHED C[C@@H](CN(C)Cc1cccc(C#N)c1)c1ccc(F)cc1 437593051 MXVSQBHZKZZMLH-AWEZNQCLSA-N 282.362 3.933 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)c(Cl)c1 437639821 KEJRHBUAQYFOSP-OAHLLOKOSA-N 281.783 3.816 30 20 CHED CC(C)CN(C(=O)C[C@H]1C=CCC1)c1ccc(C#N)cc1 346479558 HGAPSKSCLDXEFQ-HNNXBMFYSA-N 282.387 3.904 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(C)c1cccc(C#N)c1 604439163 UXUXAGJNOSBDBH-HIFRSBDPSA-N 270.376 3.737 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cncc(C)c1 347881030 NPBPHWCYTDVEPV-UHFFFAOYSA-N 280.371 3.609 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)C2CC2)C1 248912919 VPMVWFACYSOUFB-XOKHGSTOSA-N 254.377 3.810 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccsc1 529288433 DUDWBLYKGHGSCE-UONOGXRCSA-N 282.368 3.556 30 20 CHED C[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)[C@H]1C 245560743 NESXMCKYSHCGSQ-ZNMIVQPWSA-N 272.392 3.598 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCC1(C)CCCCC1 602569162 OJBIKQYWSQGDJU-HNNXBMFYSA-N 278.440 3.645 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CC[C@H](C)C2)s1 345145792 RVPXAUOXXJGCJC-UWVGGRQHSA-N 262.378 3.557 30 20 CHED CC(=O)c1cc(NCc2cccc(C#N)c2F)ccc1F 349788786 UQRGRICKQAIGKP-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C=CCC[C@@H](O)CN[C@H](CC(F)(F)F)c1ccccc1 341571952 IQCBUIARECZIFX-ZIAGYGMSSA-N 287.325 3.597 30 20 CHED CC(C)SCn1cc(C#N)c(=O)c2cc(Cl)ccc21 600530890 UMZYHUKOIHJWDC-UHFFFAOYSA-N 292.791 3.626 30 20 CHED CCN(Cc1ccccc1C)c1nccc(C)c1C#N 343475589 LHCXAQMWVBXSJI-UHFFFAOYSA-N 265.360 3.597 30 20 CHED N#Cc1cccc(SCc2noc(C3CCC3)n2)c1 600530744 RWMGNJLPFZSAFH-UHFFFAOYSA-N 271.345 3.501 30 20 CHED Cc1ccn(-c2ccc(NCC(C)(C)CCC#N)cc2)n1 341215490 SXKHQVFLXAWIEF-UHFFFAOYSA-N 282.391 3.923 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1ccc(F)cc1F 255773398 NUOHVRVDAZSMQC-ALCCZGGFSA-N 284.265 3.509 30 20 CHED N#CCC[C@@H](Nc1cc(C2CC2)ncn1)c1ccccc1 603317369 OORXMMDOOIJNGU-OAHLLOKOSA-N 278.359 3.811 30 20 CHED C=CCC[C@@H](NC[C@@H](OC)C1CC1)c1ccccc1 340487393 FBGWVMPLBHMVSY-IAGOWNOFSA-N 259.393 3.709 30 20 CHED CCC(C)(C)CCN1CCC[C@@]2(CCCCO2)[C@@H]1C#N 447908763 VKWJYSLWSIKNGS-RDJZCZTQSA-N 278.440 3.740 30 20 CHED CSCCCON=Cc1ccccc1OC(C)C 255345010 REAFZYRWQNUMAN-UHFFFAOYSA-N 267.394 3.577 30 20 CHED Cc1ccc(-c2ccc3c(c2)CN[C@@H](C)C3)c(C#N)c1 600778541 XMMWGWACJVFKJO-ZDUSSCGKSA-N 262.356 3.568 30 20 CHED C=CC1CCN(C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F)CC1 446290402 XYSCXYVJQLTWRX-PWSUYJOCSA-N 292.345 3.571 30 20 CHED C[C@H](CCC#N)CNCc1sccc1Br 602544310 OUKTUPQXXMSHGW-SECBINFHSA-N 287.226 3.540 30 20 CHED N#CCC1(CSCc2ncccc2Cl)CC1 600647424 UEAWDVVENZYSEO-UHFFFAOYSA-N 252.770 3.662 30 20 CHED N#Cc1cc(NC(=O)N2CCCC3(CCCCC3)C2)ccn1 603126681 AASQVWZLBSAQOV-UHFFFAOYSA-N 298.390 3.531 30 20 CHED C=CCCO[C@H](C)c1nc(-c2sccc2C)no1 354069482 FTDYKKDBQVUTLI-SNVBAGLBSA-N 264.350 3.760 30 20 CHED CCN(CCNc1cc(C#N)ccc1C(F)(F)F)C(C)C 357230312 BWYWLIGYINQCRJ-UHFFFAOYSA-N 299.340 3.719 30 20 CHED COc1ccc(CNC2CCC(C)(C#N)CC2)cc1Cl 449183358 CRGBCIPETSXLCU-UHFFFAOYSA-N 292.810 3.911 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCc2c(Cl)cccc21 538603653 DBVWLMVLSJXIQW-XHDPSFHLSA-N 292.810 3.981 30 20 CHED Cc1cc(NC(=O)NCC(C)(C)CCC#N)cs1 603150774 YXNHRTASOPXXML-UHFFFAOYSA-N 265.382 3.508 30 20 CHED C=CCC[C@H](Nc1ncc(F)cn1)c1ccccc1 446984303 GFEVMDYISVPRLN-AWEZNQCLSA-N 257.312 3.735 30 20 CHED CC(C)N(CC#Cc1cccc(Cl)c1)C1CCC1 440679394 YHIWSJRRWUCTPY-UHFFFAOYSA-N 261.796 3.954 30 20 CHED CC[C@@H](NCc1ccc(OC)c(F)c1)c1ccc(C#N)cc1 447559817 BBEFKQHOIRXOLQ-QGZVFWFLSA-N 298.361 3.947 30 20 CHED C=CC(C)(C)CNCc1ccccc1OCc1cccnc1 449487626 ZPOOVHHRESVACA-UHFFFAOYSA-N 296.414 3.962 30 20 CHED C[C@H](NC(=O)[C@H]1CCCC(C)(C)C1)c1ccc(C#N)cc1 535137301 IPSVVEONPNSQEZ-BBRMVZONSA-N 284.403 3.952 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(c2cccc(C)c2)CC1 538335262 DNIKSBOCNYSCTR-OAHLLOKOSA-N 271.404 3.888 30 20 CHED Cc1cc(CN2CCC[C@@](C)(C#N)C2)c2ccccc2n1 612163084 NZMCSIHABVJJCH-SFHVURJKSA-N 279.387 3.669 30 20 CHED C#CCC(C)(C)C(=O)N(CC=C)Cc1ccc(Cl)s1 185008796 ABEFRQXUYFGLRU-UHFFFAOYSA-N 295.835 3.966 30 20 CHED C=C(C)CCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 352814971 KPKDZCIMLLPUSJ-AWEZNQCLSA-N 288.218 3.973 30 20 CHED C=CCCCc1nc(-c2ccnc(OC3CCC3)c2)no1 357265251 TVCLENMKOVOCHY-UHFFFAOYSA-N 285.347 3.572 30 20 CHED CC1CC(C#N)(C(=O)NCc2ccc(-c3ccccc3)o2)C1 531812531 SIWXMVWTDYADNX-UHFFFAOYSA-N 294.354 3.503 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](c2ccccc2F)C1 268168872 GAMIBJRHAMGVCI-HNNXBMFYSA-N 287.378 3.910 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)NCCC2=CCCCCC2)C1 613373180 AHYLNKMMLUHDSE-KRWDZBQOSA-N 289.423 3.602 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCOc1ccccc1 611390277 NPUHWCXLWHBWIS-IBGZPJMESA-N 292.382 3.604 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H](C)C(=O)c2ccccc2)C1 617783828 HQRIUKSMSFZOHZ-JKSUJKDBSA-N 299.414 3.710 30 20 CHED C[C@H]1C[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)CCO1 361705585 QWNNAJKIJOQCAT-QWRGUYRKSA-N 298.308 3.804 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 612289966 CKHSFYSJZXOXKH-AWEZNQCLSA-N 295.745 3.637 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)CCCc1cccnc1 457952951 WTZZBZGSNGVOIJ-CQSZACIVSA-N 274.408 3.511 30 20 CHED COc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)cc1 613409238 QDRMIYOYLUTSTD-UHFFFAOYSA-N 295.386 3.871 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cc(C)sc1C 610733110 CPGQJCNXRNXBJU-UHFFFAOYSA-N 299.399 3.921 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CCCS1 360658353 SBCMSLOSWHPFCZ-WBVHZDCISA-N 286.444 3.811 30 20 CHED CCCN(CCC(C)(C)C#N)Cc1ccc(F)cc1 538487478 JDRNGDYMVVJTDU-UHFFFAOYSA-N 262.372 3.978 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 454665272 JHKBKVHPHXBDJR-OTYXRUKQSA-N 296.773 3.804 30 20 CHED C[C@@H](C(=O)NC1(C#N)CCC1)c1c(Cl)cccc1Cl 611168789 HEAOIKQSIAWSAN-SECBINFHSA-N 297.185 3.659 30 20 CHED COCC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccco1 272482585 OOHDNOCTEWGIFT-CQSZACIVSA-N 290.750 3.994 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(C#N)c1 360705882 TZLNVOSPBOLDMV-CJNGLKHVSA-N 284.403 3.845 30 20 CHED Cn1cc(CN2CCC[C@@H]2CCC2CCCC2)cc1C#N 361543901 QWRGQRCRVYFPPM-QGZVFWFLSA-N 285.435 3.832 30 20 CHED CC(C)[C@H](C)N(C)Cc1ccc(N(C)CCC#N)cc1 271051744 PQRNKWCOEMZBNQ-HNNXBMFYSA-N 273.424 3.513 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc2cccnc12 454275516 NSXLHMUOCNAZNN-UHFFFAOYSA-N 269.348 3.569 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)c1cc(C)ccc1OC 458719621 BDHDJXFGYDKJLE-KGLIPLIRSA-N 290.407 3.719 30 20 CHED CC1(C)CCC(CC(=O)NCC(C)(C)CC#N)CC1 457999064 YTLWFGIICULDCA-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](C)C3(CCC3)C2)CCC1 368988427 DRCBLFSUHSVJPT-CQSZACIVSA-N 261.409 3.772 30 20 CHED C=CCCN(C)Cc1ccc(OCc2ccccn2)cc1 276494185 VFFHZCHXPZGDPL-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C=CCn1cc(-c2ccc(OCC)c(OCC)c2)cn1 629696890 MCCLFALKZXXUQZ-UHFFFAOYSA-N 272.348 3.534 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 452773149 HODCWKHQWBEZLA-LBPRGKRZSA-N 279.811 3.847 30 20 CHED C[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 540702853 XTAYNHLGJJBJRI-MQIPJXDCSA-N 260.356 3.927 30 20 CHED C[C@@H](CCc1ccco1)N[C@H](C)c1ccc(OCC#N)cc1 271523818 VJXQJXVPFSKKLR-LSDHHAIUSA-N 298.386 3.854 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(C#N)cc1 360997626 SYRMTHZODDXAOE-SWLSCSKDSA-N 270.376 3.503 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2ccccc2CC1 456349519 VVCPYLSZJAEDRB-UHFFFAOYSA-N 271.404 3.606 30 20 CHED C=CCC[C@H](CCC)NCC[C@@H]1C[C@H]2CC[C@H]1O2 459665996 LAPSVUYWCTWTFS-QKPAOTATSA-N 251.414 3.669 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3ccccc32)CCC1 276593699 QDHCKQXPVRFUQS-OAHLLOKOSA-N 255.361 3.537 30 20 CHED Cc1cc(N(C)C)ccc1N[C@H]1CCC[C@@H](C#N)C1 274213897 OGEJSRAOABCDNJ-KGLIPLIRSA-N 257.381 3.555 30 20 CHED C=CCCCCCCNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 376299240 LFWXWNBJYOQFIH-XYPWUTKMSA-N 291.435 3.635 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H](C)c2ccco2)C1 628062360 DHIRSLIHSCANCH-KBPBESRZSA-N 261.365 3.588 30 20 CHED CC(C)O[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)C1(C)C 463007537 DOUYUFSHSOVAJA-XOKHGSTOSA-N 286.419 3.801 30 20 CHED Cc1cccc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)c1C 271834698 UYGQGEMRCAIYCA-KXBFYZLASA-N 294.398 3.559 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2nc(C)ccc2o1 620861464 QYOLALUHZGWEJY-UHFFFAOYSA-N 272.348 3.611 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(F)c1 468299637 UVHJVVICOOIGBH-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED C#CCC1(C(=O)N(C)Cc2cccs2)CCCCC1 276256907 IAWHVDVAXVKKTL-UHFFFAOYSA-N 275.417 3.680 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 466643874 YUTCUKOMHRGGEL-SFHVURJKSA-N 287.378 3.895 30 20 CHED CO[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 271916335 GIJASDUNEGYLPL-UGSOOPFHSA-N 298.361 3.736 30 20 CHED Cc1cccc(OC[C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 540596043 JHSZPLOKKIYDHN-JKSUJKDBSA-N 294.398 3.985 30 20 CHED C=C(CNCc1ccc(OCC)c(OC)c1)c1ccccc1 620756479 DDQSTOKAEJPUKX-UHFFFAOYSA-N 297.398 3.897 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1nc(CC(C)(C)C)cs1 540633529 VRTINAZRRGCTLY-NSHDSACASA-N 296.436 3.651 30 20 CHED C=CCC[C@H](NC[C@H]1CCCN1CC(F)F)c1ccco1 624096582 CSFCFZVWHHJRAM-KGLIPLIRSA-N 298.377 3.606 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ncc(-c2cccc(C)c2)s1 288828870 VOBAVRXVGCZBMN-MRXNPFEDSA-N 299.399 3.997 30 20 CHED CS[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)C(C)(C)C 542210857 COBDAWDJVWWKAD-CYBMUJFWSA-N 293.392 3.656 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)C(C)(C)C 622945510 GHXYLPNJGSSEMN-JKSUJKDBSA-N 287.403 3.612 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC[C@H](C)c1ccccc1 466387659 GEQQELARDPQTQY-RDJZCZTQSA-N 286.419 3.930 30 20 CHED C=C(C)CCc1noc([C@H]2CCO[C@H](CCC)C2)n1 285278262 ZIJYCIJXVGELFQ-QWHCGFSZSA-N 264.369 3.641 30 20 CHED C=CCCN(C)C(=O)COc1ccccc1[C@H](C)CC 466652195 SFRIWKUKISEPEF-CQSZACIVSA-N 275.392 3.613 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)c1ccc(C(C)C)cc1 286841347 VZSVZTJJHORYNM-MRXNPFEDSA-N 258.365 3.713 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(O[C@H](C)CC)cc1 465153462 SHINUOJDUSYJJI-VXGBXAGGSA-N 262.353 3.560 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(OCC)cc1 280715126 DYMZVABWQWMRNW-HFTRVMKXSA-N 289.419 3.717 30 20 CHED C[C@H]1CCN(C(=O)c2cccc(C#N)c2)CC12CCCCC2 463039029 WWOTZUMFUSAOBX-HNNXBMFYSA-N 296.414 3.991 30 20 CHED C=CCC(C)(C)c1noc(COc2ccc(C)cc2)n1 551497830 GSTZFMXDUGAYOR-UHFFFAOYSA-N 272.348 3.811 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)c1c(F)cccc1F 468270040 JWFIUTMJLOOBBJ-UHFFFAOYSA-N 276.261 3.612 30 20 CHED CC[C@@H](C)[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 286153279 PNXARJVDQWUGDY-HUUCEWRRSA-N 285.435 3.551 30 20 CHED C=CCN(CC=C)C(=O)c1ncccc1Oc1ccccc1 463256674 KITBQONWZPTZGU-UHFFFAOYSA-N 294.354 3.688 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)COc1c(C)cccc1C 468115353 NVVAVFQSSWDORO-YJBOKZPZSA-N 289.419 3.789 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(F)ccc(OCC)c1F 551247427 BSEVMBZPQINSMH-UHFFFAOYSA-N 296.317 3.569 30 20 CHED C[C@H](C(=O)N(C)[C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 462343517 WQDWAAAEQVRLKQ-BBRMVZONSA-N 284.403 3.699 30 20 CHED C[C@]1(CNc2cc(Cl)ccc2C#N)CCO[C@H]1C1CC1 466617942 KNKKDDZBOVZJTJ-JKSUJKDBSA-N 290.794 3.829 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)C[C@H]1CCCCC1(C)C 558212057 BYOHDSVAWFQXHA-CJNGLKHVSA-N 296.480 3.744 30 20 CHED C=CCCCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 472669521 OVHMGXMQYQKQRG-UHFFFAOYSA-N 286.278 3.964 30 20 CHED Cn1cc(CN(CC(C)(C)C)CC(C)(C)C)cc1C#N 554890201 KZDMINHUJBOXJY-UHFFFAOYSA-N 275.440 3.791 30 20 CHED C=CCCCCCCNC(=O)CC[C@@H]1CC[C@H](C)O1 805219590 QHFUTSPPFVKLDY-GJZGRUSLSA-N 267.413 3.587 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC(C)(C)CC 475732801 IKWOZECBDYUZAV-UHFFFAOYSA-N 252.402 3.791 30 20 CHED C=CCCO[C@@H](C)c1nc([C@@H]2Cc3ccc(F)cc32)no1 632217281 WSHBMHBTNKBLMA-IINYFYTJSA-N 288.322 3.550 30 20 CHED C#CCN(C(=O)Nc1ccccc1SC(F)F)C1CC1 296274568 MNAMALJOJNVPEA-UHFFFAOYSA-N 296.342 3.631 30 20 CHED C#C[C@H](N[C@H]1CCC[C@H](c2ncccc2C)C1)C(C)C 809685922 ZOUDZINLAYXVRS-ULQDDVLXSA-N 270.420 3.664 30 20 CHED C=CCC(C)(C)CNC/C=C\c1ccccc1[N+](=O)[O-] 550225762 PFHCYUUBBAVNED-CLFYSBASSA-N 274.364 3.800 30 20 CHED COc1ccccc1/C=C1/Cc2nc(Cl)ccc2C1=O 806579701 OCYKXDFVKJUROF-FLIBITNWSA-N 285.730 3.566 30 20 CHED N#Cc1ccc(OC(=O)C(C2CCC2)C2CCC2)c(F)c1 808572793 NQJCRXCTGSDPLX-UHFFFAOYSA-N 287.334 3.819 30 20 CHED N#CCCCCCC(=O)OC[C@H]1CCC2(CCCCC2)O1 805695771 HZORPNFNMSIVNV-OAHLLOKOSA-N 293.407 3.886 30 20 CHED C=CCC[C@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1 472451429 VWOOYRHIYJGDKE-KRWDZBQOSA-N 291.822 3.756 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)s1 299735742 JUNRZTDCNSCIHB-ARJAWSKDSA-N 275.279 3.794 30 20 CHED C#CCCCC(=O)OCc1c(Cl)ccc(F)c1Cl 806012912 UWLWFUARPACHNO-UHFFFAOYSA-N 289.133 3.979 30 20 CHED C=CCC[C@H](NC[C@H](CO)Cc1ccccc1)c1ccco1 560527836 FUVQYJMRSZUCAM-MSOLQXFVSA-N 299.414 3.728 30 20 CHED N#Cc1sc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)nc1Cl 804344276 OQECAACTZAKNLN-ORMBPQIASA-N 293.823 3.905 30 20 CHED CCc1nc(C)c(C(C)=NNCC2CCCC2)s1 808006608 WSFDWNLVKDREIB-UHFFFAOYSA-N 265.426 3.518 30 20 CHED N#CCc1ccc(CSCc2ccc3c(c2)OCO3)cc1 478737745 WBJNTZWIWZOYDM-UHFFFAOYSA-N 297.379 3.915 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1c1cccs1 291069370 QKQLCXCESKBNFI-ZDUSSCGKSA-N 288.420 3.566 30 20 CHED C=CCOCCCN[C@H](C(=C)C)c1ccc(F)c(F)c1 470762266 QMOOMHBCSDCRJQ-MRXNPFEDSA-N 281.346 3.764 30 20 CHED C#C[C@H](CC)N[C@H](C)Cc1ccc(F)cc1Br 809686721 JAQWNVHNIQEKSD-ZWNOBZJWSA-N 298.199 3.521 30 20 CHED CC#CCCNC(=O)N[C@H](C)c1oc2ccccc2c1C 479237209 CEERYCPVLMUGSE-CYBMUJFWSA-N 284.359 3.515 30 20 CHED Cc1c(C2CCCCC2)noc1NC(=O)[C@]1(C#N)C[C@@H]1C 560668061 MAXQTFXZLGARDU-QFYYESIMSA-N 287.363 3.519 30 20 CHED C=CCCCCNC/C=C\c1ccc(F)cc1F 472043836 RHMNDZGIDPEFJM-SREVYHEPSA-N 251.320 3.924 30 20 CHED CC1(C)CCN(CCCSCC#N)c2ccccc21 569617862 TUALURKZAWGTNB-UHFFFAOYSA-N 274.433 3.821 30 20 CHED Cc1cccc(C)c1CNC(=O)c1cc(C#N)ccc1Cl 802762310 AZNDUGPRLYEYKV-UHFFFAOYSA-N 298.773 3.759 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(OCCC)cc1 815901796 DXWMXRRPZQVSGJ-UHFFFAOYSA-N 270.275 3.592 30 20 CHED CCOc1ccc(NN=C2C[C@H](OCC)C2(C)C)cc1 814983279 GUSKGVYEBLPGAT-HNNXBMFYSA-N 276.380 3.688 30 20 CHED CC1=C(C)CN(c2c(C#N)cnc3ccc(C)cc23)CC1 487736929 XHIKCJXOHFQIKP-UHFFFAOYSA-N 277.371 3.961 30 20 CHED CCOc1ccc(NN=C2CCc3cc(O)ccc32)cc1 814985691 OYHJBOSEXJWGQQ-UHFFFAOYSA-N 282.343 3.553 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@@H]1C(C)(C)C#N 814916781 LUEAOXLGBBDPGJ-LBPRGKRZSA-N 285.395 3.718 30 20 CHED CCC(=NNCc1cnc2ccccc2c1)c1ccco1 814877073 OKDNQBLZRPMAAF-UHFFFAOYSA-N 279.343 3.732 30 20 CHED Cc1cc(C)c2c(c1)OCCC2=NN[C@H](C)c1ccncc1 819814587 CGCVAFJJNJCOSF-CQSZACIVSA-N 295.386 3.536 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)c(Cl)cc1OC 484979423 JYBPHIBIYSXZOG-SSDOTTSWSA-N 289.162 3.698 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1c1ccc(C#N)c(C)n1 488124746 KOAXQYHYPSLHSN-WFASDCNBSA-N 257.381 3.667 30 20 CHED COCc1ccccc1/C=C(/C)C=NO[C@@H]1CCCCO1 814225133 PZHIVQSOIDKEJV-HGTRQJQSSA-N 289.375 3.765 30 20 CHED CCC(=NNc1nc(C(F)(F)F)cs1)c1ccco1 814867514 HWPKBHFZDCPHBX-UHFFFAOYSA-N 289.282 3.981 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccccc1F)C2 811696962 XEVXELBEEQDTKR-NTEUORMPSA-N 263.271 3.520 30 20 CHED C[C@@H]1/C(=C/c2cnn(CC(F)F)c2)C(=O)c2ccccc21 814189051 DMUMXNQUJYXHAE-PJJXNUOTSA-N 288.297 3.532 30 20 CHED CC[C@H](CC#N)OC(=O)Cc1c[nH]c2cccc(Cl)c12 816038582 BIPPWMAHADHADC-LLVKDONJSA-N 290.750 3.599 30 20 CHED CC(=NOCCC1CC1)c1ccc(Br)cc1O 814245856 KOZBWQMGQSGAQZ-UHFFFAOYSA-N 298.180 3.695 30 20 CHED C=C(C)CCNCc1cn(-c2ccc(C)cc2)nc1C 655778429 KZKPKIFPHBXBFE-UHFFFAOYSA-N 269.392 3.545 30 20 CHED C=CC[C@@H](CO)CNCC1CCC(c2ccccc2)CC1 579458924 VVKQQCJXUUYVPV-TVRKMHQQSA-N 287.447 3.735 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)ccc1O 728230281 CNGGWDZWITVKLE-XQRVVYSFSA-N 282.339 3.919 30 20 CHED Cc1cc(CN[C@H]2CCCO[C@H]2CC(C)C)ccc1C#N 488078738 RJFMTFJWHAEBNX-ROUUACIJSA-N 286.419 3.550 30 20 CHED C=CCC[C@@H](NCc1cc(COC)cs1)C1CC1 658210342 QKPNOKLJSTUYCD-OAHLLOKOSA-N 265.422 3.729 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C#N)ccc2C)C1 825440954 ORJAUPGENCDSKL-ZIAGYGMSSA-N 270.376 3.517 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(CC#N)c2ccccc2)CC1 575870008 UVNBNGZHWMAKRH-HNNXBMFYSA-N 268.360 3.680 30 20 CHED C=CCOCC(=O)O[C@@H](C)c1oc2ccccc2c1C 729895700 ZTZBLJBLKLEFDS-LBPRGKRZSA-N 274.316 3.548 30 20 CHED Cc1cc(C=NNCCCc2ccccc2)ccc1F 729146103 LGLCVEUYWRUWSL-UHFFFAOYSA-N 270.351 3.690 30 20 CHED CON=C1CCCc2nc(-c3ccc(F)cc3)sc21 727683551 LKTPKMWJDITESH-UHFFFAOYSA-N 276.336 3.636 30 20 CHED C=CCCC1(c2nc(-c3ccc(F)c(OC)c3)no2)CC1 574118761 PVVYCNXWRLKUSD-UHFFFAOYSA-N 288.322 3.882 30 20 CHED C#Cc1cnc(N[C@@H](CCC)c2ccc(F)cc2F)nc1 827750947 AOBILSCRHLVNPI-HNNXBMFYSA-N 287.313 3.689 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Cl)c(OC)c(OC)c1 650543248 LNADFCPATRMYTE-UHFFFAOYSA-N 297.782 3.898 30 20 CHED Cc1nsc(NCC[C@@]2(C)CC2(Cl)Cl)c1C#N 829062847 JMDWRKTZHXEZHH-JTQLQIEISA-N 290.219 3.709 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 823814475 KENLBXROPYKLJB-UHFFFAOYSA-N 282.727 3.789 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCCC(CC)(CC)C1 660680481 DMIVDZHKABWYOK-CYBMUJFWSA-N 252.402 3.563 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(Cl)cc2C)cn1 588476942 RQAIIFPMXINWPO-ALCCZGGFSA-N 274.751 3.761 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)Cc1ccc2ccccc2c1 495365929 QKYJITJEABPIND-HNNXBMFYSA-N 297.398 3.779 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccsc1Cl 908664015 YBDOJACQKBEHDL-LLVKDONJSA-N 297.807 3.541 30 20 CHED C=CCCC1(c2nc(Cc3cccc(OC)c3)no2)CC1 582147565 VTICYRPDVHDWBA-UHFFFAOYSA-N 284.359 3.667 30 20 CHED N#CCCCCCC(=O)Nc1cccc2ccncc12 588161346 FLXOOFROFOTKLW-UHFFFAOYSA-N 267.332 3.647 30 20 CHED CC(=NNc1ccc(Cl)c(C)c1)c1cc(C)nn1C 905511129 ZWUZTMBDEVTYTN-UHFFFAOYSA-N 276.771 3.526 30 20 CHED C=CCN(Cc1nc(C(F)(F)F)cs1)C(C)(C)C 661760721 XXUOAYSUCBRPDS-UHFFFAOYSA-N 278.343 3.948 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N[C@@H](C)CC#N 499859106 DZGROPMPWMSRKJ-DZGCQCFKSA-N 264.413 3.791 30 20 CHED CC(C)(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)C1CCCC1 839450251 RKQGWVPBIUIEPB-TZMCWYRMSA-N 263.381 3.828 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2cccc(OCC#N)c2)c1 739516640 YCPGNAQGWKPGAI-CQSZACIVSA-N 294.354 3.640 30 20 CHED C=CCC1(NCc2nc3ccccc3o2)CCCC1 661851976 ZYIFCXQWNNOQOP-UHFFFAOYSA-N 256.349 3.806 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)Sc1ccccc1Cl 736242586 NYKXFKPZWQLGRN-VIFPVBQESA-N 290.215 3.689 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3cccnc3s2)C1 839055224 FKIDRBKWCGUDCV-PWSUYJOCSA-N 286.356 3.535 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCC1(C#N)CCCCC1 835282472 RBDWKOAGKAHSPQ-NSHDSACASA-N 291.313 3.982 30 20 CHED COc1ccc2[nH]cc(C=NN[C@@H](C)c3ccccc3)c2c1 730145872 UHMIWJMBGIKSNL-ZDUSSCGKSA-N 293.370 3.861 30 20 CHED Cn1cc(/C=C2/CCCc3ccc(Cl)cc3C2=O)cn1 735232664 RXEKCEYCTWLWRL-QPEQYQDCSA-N 286.762 3.676 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNc2ccccc2F)o1 839411515 QUIZBJKVTDTFGN-UHFFFAOYSA-N 284.294 3.563 30 20 CHED CC(C)=CCC/C(C)=C/C=NNc1ccnc(N(C)C)n1 739411478 LZQJEDUPBBLIJE-HCDRBJDXSA-N 287.411 3.633 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1cc(C#N)ccc1Cl)CC2 586759659 YPPBNQKNSNKCSU-UHFFFAOYSA-N 296.757 3.723 30 20 CHED Fc1cccc(C=NOCc2ccc3c(c2)CCC3)c1 734484026 QZZHNINFPQPRNA-UHFFFAOYSA-N 269.319 3.865 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)/C(C)=C\CC 839889969 CSHKROMTHNNTBX-MBSJSRAVSA-N 257.377 3.646 30 20 CHED CC(CCC1CCCCC1)=NNc1nc(C)cc(O)n1 731922553 IGWFEEYMTUFBIZ-UHFFFAOYSA-N 276.384 3.639 30 20 CHED CC(=NNc1nccnc1Cl)c1ccccc1Cl 733079670 PUKSSFIMBYXLAL-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CC[C@@H](C#N)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 593480079 BDUKZJPJGQISBA-ZBFHGGJFSA-N 284.403 3.926 30 20 CHED N#C[C@@]1(C(=O)OCc2cc3ccccc3o2)CC12CCCC2 837903219 ORUWXYXYCGNALN-GOSISDBHSA-N 295.338 3.950 30 20 CHED COc1cccc(O)c1/C=N\C[C@H]1CCCc2ccccc21 912962228 MMPIEHLANWTXFQ-CTFRJJSNSA-N 295.382 3.940 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC)C1CC1 595790176 UPTIXNFCTNHUQZ-KRWDZBQOSA-N 299.418 3.668 30 20 CHED C=C(C)CNC(=S)N1CCCCC[C@H]1CC(C)C 740769560 YDRIGUDNRWAXHF-AWEZNQCLSA-N 268.470 3.728 30 20 CHED N#CCCC[C@H](NC(=O)N[C@]12CCC[C@H]1C2)c1ccccc1 596606889 YRBCPYZUZQOMAE-BQFCYCMXSA-N 297.402 3.663 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1CCCCCCC1 741548259 AGLOGBQDBFNAIE-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C[C@@H]1C[C@@H]1C=NOCc1ccc(C(F)(F)F)cc1 746577154 OOBGRLYVNGIEHG-MWLCHTKSSA-N 257.255 3.864 30 20 CHED CCOc1ccc(C=NNc2ccc(F)cc2)cc1OC 916268128 LMKAILFWBMCJMR-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C=CCCCC(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 844859951 ACRTYKNJRKJFAB-AWEZNQCLSA-N 291.366 3.900 30 20 CHED C=CC[C@@H](NC(=O)/C=C(/C)C(C)(C)C)c1ccncc1 742677915 SMWRCOGCFKLPRM-WIDZWVOGSA-N 272.392 3.807 30 20 CHED CN(CC1(c2ccccc2)CC1)[C@H](C#N)c1ccccc1 595450774 CKFCGBRHJILPAH-GOSISDBHSA-N 276.383 3.915 30 20 CHED CC[C@H](C#N)C(=O)NC(c1cccs1)c1cccs1 593477391 DLNQKRGPRGTKSX-SNVBAGLBSA-N 290.413 3.565 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1CC#Cc1ccc(F)cc1 679542725 BNLCYKFMVIGVLQ-GXTWGEPZSA-N 299.311 3.840 30 20 CHED CCO[C@@H](CC)c1noc(C2(c3ccc(C#N)cc3)CC2)n1 596621831 PQGRGASUEKEIHP-AWEZNQCLSA-N 297.358 3.509 30 20 CHED C=C(Cl)CNc1ccc2c(c1)CN(CC(F)(F)F)C2 849316786 BAIGCPNTKCRCHR-UHFFFAOYSA-N 290.716 3.729 30 20 CHED CCC(CC)(C(=O)OCCCC#N)c1ccccc1 745729622 PTKCGZVQTYTMCF-UHFFFAOYSA-N 259.349 3.591 30 20 CHED Cc1nc(NC(=O)CC2(C#N)CCCCC2)sc1C 596824730 NHQPGWYLGOGKAJ-UHFFFAOYSA-N 277.393 3.563 30 20 CHED N#Cc1ccc(F)c(CNCc2ccnc3ccccc23)c1 742382026 YATJBZYKYCXBRU-UHFFFAOYSA-N 291.329 3.535 30 20 CHED CC(C)(CC#N)COC(=O)CCCc1ccc(F)cc1 847682632 FUZROBHIVORBCH-UHFFFAOYSA-N 277.339 3.631 30 20 CHED Clc1ccc(NN=Cc2ccc[nH]2)cc1Cl 916249437 NDKGMQJWXLOJHQ-UHFFFAOYSA-N 254.120 3.768 30 20 CHED C#CCN(Cc1ccncc1Cl)[C@H]1CCc2ccccc21 746503394 RERDITMAYXEEDA-SFHVURJKSA-N 296.801 3.858 30 20 CHED Cc1ccccc1NC(=S)NN=C[C@@H]1CC=CCC1 915920804 JJSLEMBPIODJMZ-CYBMUJFWSA-N 273.405 3.624 30 20 CHED C(=NNc1nc2ccccc2s1)c1ccc2c(c1)CCO2 917530758 ZHVSRYXYDOXFNA-UHFFFAOYSA-N 295.367 3.677 30 20 CHED C[C@@H](C#N)N(C(=O)c1cc2cc(F)ccc2s1)C1CC1 598127800 UDLXIIJBWOBELE-VIFPVBQESA-N 288.347 3.557 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C3CC4(CCC4)C3)[nH]c12 842721226 DYFOPVHICLPMAI-CYBMUJFWSA-N 293.370 3.628 30 20 CHED C=C[C@](C)(CC)COC(=O)c1cnc2n1[C@@H](C)CCC2 845528100 ZBZJCPLLSNDYKG-BLLLJJGKSA-N 276.380 3.540 30 20 CHED CCC(=NNc1nncc2ccccc12)c1cccs1 915909929 VILFTNRQONKVCJ-UHFFFAOYSA-N 282.372 3.918 30 20 CHED C#CCCCN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 840727534 LAKRODXJHWLJOR-GDBMZVCRSA-N 261.796 3.979 30 20 CHED CCCCC(C)=NNc1oc(C(C)(C)C)nc1C#N 746498049 QVWXZYAHRMHTNA-UHFFFAOYSA-N 262.357 3.822 30 20 CHED N#Cc1cn[nH]c(=N[C@H](CC2CCCC2)c2ccccc2)c1 596174354 GSRVZGXBTADKNE-QGZVFWFLSA-N 292.386 3.504 30 20 CHED CSc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 593986015 QLCFCJGDYUZKAG-GFCCVEGCSA-N 283.400 3.526 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1ccc(OCC)cc1 929295574 LUESBIDFZGWTAM-CQSZACIVSA-N 275.392 3.646 30 20 CHED C#C[C@@H](OC(=O)c1csc(C2CCCCC2)n1)C1CC1 842327297 KDZBSIZYUJDZGI-CQSZACIVSA-N 289.400 3.759 30 20 CHED C=C(Br)CN(Cc1cccc(F)c1)C(C)C 920206075 BIFOLBJTIPHZIE-UHFFFAOYSA-N 286.188 3.945 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CCc3ccc(F)cc32)c1 754031259 KTMCNOZUGOAEKU-KRWDZBQOSA-N 294.329 3.999 30 20 CHED C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 920061273 YCDDDUWNYGPTPT-KFWWJZLASA-N 293.455 3.640 30 20 CHED CCCCCCCCNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 755148062 SJADYIMABWEZOS-XYPWUTKMSA-N 293.451 3.859 30 20 CHED C#C[C@](C)(CC)NC(=O)c1ccc(SC(F)F)cc1 854703078 IXNHOBGCTQROHT-CQSZACIVSA-N 283.343 3.533 30 20 CHED C[C@H]1CC(=NNc2cccc(Cl)c2F)CN1C1CC1 753961389 YFASKDXJZNYPGA-VIFPVBQESA-N 281.762 3.504 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1C=CCC1)c1ccccc1 855430928 ODBWAMKZTXQSQU-CVEARBPZSA-N 255.361 3.571 30 20 CHED CC(C)=CCC[C@H](C)CC=NNC1=N[C@H]2CCCC[C@@H]2N1 753937758 GFKGVPQHRMOUHM-JYJNAYRXSA-N 290.455 3.605 30 20 CHED CCCC1CCC(=NNc2ncccc2[N+](=O)[O-])CC1 759203626 RZDWWCLJFPUCNV-UHFFFAOYSA-N 276.340 3.748 30 20 CHED CCN(C(=O)/C(C)=C\c1cccc(Cl)c1)[C@H](C)C#N 856076033 VJQBMDPHGJSIKB-NXIHDVOMSA-N 276.767 3.504 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccccc1Sc1ccccc1 754682199 AZVCPVFROWDVRB-AWEZNQCLSA-N 295.407 3.979 30 20 CHED C/C(=C\C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1 757543454 JBCXMJUXGHAPAZ-SDNWHVSQSA-N 288.350 3.551 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1ccoc1 755889366 XBQZDQPZCMNEMY-UHFFFAOYSA-N 270.119 3.818 30 20 CHED O=C(/C=C/c1ccccc1F)c1cc([N+](=O)[O-])ccc1F 752875731 UBSIVSXLLNTLEI-VMPITWQZSA-N 289.237 3.769 30 20 CHED CC[C@H]1CN(CCCCC2(C#N)CCC2)CCS1 929752551 BXRVNNBUBQSHBI-AWEZNQCLSA-N 266.454 3.678 30 20 CHED CCCCCCCCNC(=O)C[C@@H]1CSCCS1 754843556 YQNVQRRHJMDFKQ-CYBMUJFWSA-N 289.510 3.702 30 20 CHED CCCCCCCCNC(=O)N1CCn2cccc2[C@H]1C 755074793 ATMDGKFGTVESKC-OAHLLOKOSA-N 291.439 3.935 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)C1CCCC1 750689921 NUVRTRNZUUPPKH-DGCLKSJQSA-N 282.343 3.830 30 20 CHED CC(C)C#CC(=O)Nc1ccc(N2CCC(C)CC2)cc1 854273170 QVMZYJRHZDWODO-UHFFFAOYSA-N 284.403 3.521 30 20 CHED CCc1c(C)nc(-c2cccc(Cl)c2)nc1C#N 1898208371 QWTMBXVWAKPRSB-UHFFFAOYSA-N 257.724 3.540 30 20 CHED C#C[C@H](CC)NC(=O)CCCc1ccc(Cl)c(Cl)c1 754366902 NTLVOMHSAMVJDA-GFCCVEGCSA-N 298.213 3.844 30 20 CHED C=CCCCNc1ccc(OC(F)F)c(OC)c1 853063939 NOAOACNMZMMURM-UHFFFAOYSA-N 257.280 3.675 30 20 CHED C#Cc1ccc(NC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)cc1 934918872 VOTYDRNAYGNZJM-JKSUJKDBSA-N 282.387 3.710 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(CCC)cc1 857303542 JICWBBJVLAIDSO-OAHLLOKOSA-N 286.419 3.640 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1sccc1C#N 931843499 RFLMIUWTWABTBP-WZRBSPASSA-N 289.404 3.805 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1sccc1C#N 931838023 SKJLYKGMZHVCFW-SNVBAGLBSA-N 265.382 3.662 30 20 CHED CCCCCCCCC(=O)NCc1ccc(F)cn1 763845337 NAMRIYSVCMDKEN-UHFFFAOYSA-N 266.360 3.588 30 20 CHED COCc1ccc(C=NNc2cccc3c2CCCC3)o1 764684281 WUWDYLHIZITQRL-UHFFFAOYSA-N 284.359 3.751 30 20 CHED C[C@@H]1CN(C(=O)c2ccccc2CC#N)Cc2ccccc21 864543457 XABPDAWMDJRVMV-CQSZACIVSA-N 290.366 3.512 30 20 CHED C=C(C)C[C@H](NCC1CCC(C(C)(C)C)CC1)C(=O)O 864530035 RCAWEZCXWUCZKH-NRXISQOPSA-N 281.440 3.848 30 20 CHED CSc1ccc(/C=C/C(=O)OCC2(C#N)CCC2)s1 860288896 BCVUGWNWIDLUEJ-HWKANZROSA-N 293.413 3.720 30 20 CHED Cc1ccc(C=NNc2ccc(Cl)nn2)cc1Cl 766432699 YYFWHHIRHVFDKY-UHFFFAOYSA-N 281.146 3.538 30 20 CHED Cc1cc(C=NNc2cccc(C(=O)O)c2)c(C)s1 760217695 YMZDBCPGKMTYNL-UHFFFAOYSA-N 274.345 3.509 30 20 CHED CCCCCCCC(=O)N1CCCC(F)(F)CC1 862713578 VVNAHKTXOKUDQD-UHFFFAOYSA-N 261.356 3.995 30 20 CHED C[C@H]1CCC(=NNc2cnc3ccccc3n2)C[C@@H]1C 767376874 GFAGJJXENLSIHK-RYUDHWBXSA-N 268.364 3.854 30 20 CHED Cc1cc(CN[C@@H](c2ccncc2)C2CC2)ccc1C#N 934699367 WIJVVDAWFRKDBU-GOSISDBHSA-N 277.371 3.503 30 20 CHED CC#CCCCC(=O)OCc1ccc(OCCC)cc1 767079064 WRVIWQYOXQOHCH-UHFFFAOYSA-N 274.360 3.712 30 20 CHED COc1ccc(NCc2cc(C#N)cs2)c2ncccc12 769944419 NIDZBIWDBSNYSU-UHFFFAOYSA-N 295.367 3.789 30 20 CHED CCC(=NNCC(F)(F)F)c1ccc(OC(F)F)cc1 769820642 ABRQFIYYRWAGMQ-UHFFFAOYSA-N 296.239 3.554 30 20 CHED C#CC[C@@H](NC(=O)c1cccn1C(C)C)c1ccccc1 764233891 NLQNAQRDOIHRAX-MRXNPFEDSA-N 280.371 3.563 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc2c(c1)CCC2 767360707 JEAWLMXYGJXTBQ-UHFFFAOYSA-N 275.355 3.883 30 20 CHED Cc1ccc(NN=C2CC[C@@H](CC(=O)O)[C@H]2C)cc1Cl 1117740050 YETKMQDBVINLQT-MNOVXSKESA-N 294.782 3.937 30 20 CHED C#C[C@H](NCc1cc(-c2ccccc2)cs1)[C@H]1CCCO1 775340772 IFZGPRHVONLKDM-ZWKOTPCHSA-N 297.423 3.686 30 20 CHED C=C(CC)CN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 773448854 TWZHAVNOKHMPCE-CABCVRRESA-N 296.455 3.578 30 20 CHED C#CCCCCCC(=O)Nc1nc(-c2ccco2)cs1 779848006 HXTPXVCMGNMQCV-UHFFFAOYSA-N 288.372 3.925 30 20 CHED COc1cc(/C=C2/Cc3c(OC)cccc3C2=O)ccc1C 773142530 ANODVFGEJUJSIT-ZROIWOOFSA-N 294.350 3.835 30 20 CHED C=C[C@H](CC)OC(=O)c1[nH]c2ccccc2c1Cl 776105257 PHMVXDGOIAZRKF-SECBINFHSA-N 263.724 3.943 30 20 CHED C=CCN(C)Cc1ccc(OCc2ccccc2)cc1O 779188125 FWXGGKUIRCGYQV-UHFFFAOYSA-N 283.371 3.589 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773019490 MCLKIMOSNYNIRI-AWEZNQCLSA-N 286.419 3.698 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 779903503 NFGBVQHCJYKEKN-UHFFFAOYSA-N 287.359 3.716 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1ccc(Cl)nn1 773189208 XGMPWTWENJJLPI-QWRGUYRKSA-N 264.760 3.520 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1F 1129603144 NLJSJKNODJLFOI-CHWSQXEVSA-N 274.339 3.852 30 20 CHED COC[C@H](C)NN=Cc1c(Cl)ccc(Cl)c1Cl 777894110 ZXIRVVBKRZMWQK-ZETCQYMHSA-N 295.597 3.605 30 20 CHED CCC(=NN[C@@H](Cc1ccccc1)C(C)C)[C@@H]1CCOC1 777448766 QKOBYPLOCRTHCJ-AEFFLSMTSA-N 288.435 3.646 30 20 CHED COc1ccc2nc(C=NOC3CCCC3)sc2c1 788724609 ARVKZKJLESRLDR-UHFFFAOYSA-N 276.361 3.598 30 20 CHED C#CC[C@@H](Nc1nnc(C(C)(C)CC)o1)c1ccccc1 882135596 AMPQTKBOEMGZEA-CQSZACIVSA-N 283.375 3.934 30 20 CHED C=C(CC)C(=O)Nc1ccc(OC)cc1C(F)(F)F 1123735878 ZBHWQPBLFVUBTL-UHFFFAOYSA-N 273.254 3.619 30 20 CHED C[C@H](Oc1ccc(C(=O)OCC#N)cc1)c1ccccc1 788228922 UIYHRYAETHJEAV-ZDUSSCGKSA-N 281.311 3.507 30 20 CHED CCc1ccccc1CC(=O)OCc1cc(F)ccc1C#N 785831779 MNHATZLDBMTFAH-UHFFFAOYSA-N 297.329 3.546 30 20 CHED Clc1ccsc1C=NN=c1cc[nH]c2ccccc12 782232394 XCMDWEBCODSDBF-UHFFFAOYSA-N 287.775 3.818 30 20 CHED CC(=NNc1ccc(Cl)cc1)[C@@]1(C)CCCO1 782098672 VNSIJTJHYPDNNS-CYBMUJFWSA-N 252.745 3.697 30 20 CHED CC(=O)c1cccc(C(=O)OCC2(C#N)CCCCC2)c1 783431271 LZSZDDRVKRWVQK-UHFFFAOYSA-N 285.343 3.520 30 20 CHED CC(C)CN(CCC#N)C[C@H](C)c1ccc(F)cc1 783506092 BKJFSSLAAMFPHC-AWEZNQCLSA-N 262.372 3.801 30 20 CHED C=CCN(Cc1ccc(OCC)c(F)c1)C(C)C 787101091 KVUWOUCSBHPQSW-UHFFFAOYSA-N 251.345 3.621 30 20 CHED C#CCCCCCC(=O)Oc1ccc(CC)cc1OC 780014580 ZIDUIXLGTNANTQ-UHFFFAOYSA-N 274.360 3.747 30 20 CHED N#Cc1ccc(N[C@H]2CCCc3sccc32)c(CO)c1 893208757 GXCPSYUWAKREFW-HNNXBMFYSA-N 284.384 3.602 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)Cc1cccs1 780034279 DDVNVKCJWDKQPU-UHFFFAOYSA-N 291.759 3.559 30 20 CHED CCc1ccc(C(C)=NN[C@@H]2CCOC(C)(C)C2)s1 780247083 OZWAGOSBQZLDFV-GFCCVEGCSA-N 280.437 3.582 30 20 CHED C[C@@H]1CC[C@H](/N=C\c2cc3ccccc3nc2O)C1 780148442 GIDBWLAGCILEFV-OGWNRBEGSA-N 254.333 3.548 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cnn(C(C)C)c1C 787153295 LVZAEHFCYSZZQZ-ZDUSSCGKSA-N 284.407 3.847 30 20 CHED C=CCCN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 786669906 JBNDHCXVDLTHEP-UHFFFAOYSA-N 282.387 3.742 30 20 CHED C#CC[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 784266142 QXPVSIXKLNTAGY-LJQANCHMSA-N 274.367 3.607 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C(C)(C)C(C)C 784135235 IBEGYVDQNSMTOD-UHFFFAOYSA-N 259.349 3.592 30 20 CHED C[C@H]1C[C@@H]1C=NNCc1cccc(Cl)c1Cl 790180176 BHIHDSMEEAPBOI-WCBMZHEXSA-N 257.164 3.725 30 20 CHED c1cncc([C@@H]2CCCC(=NO[C@H]3CCCCO3)C2)c1 799884717 JBHBBCOQVQSXQS-CJNGLKHVSA-N 274.364 3.638 30 20 CHED CC(=NNCc1cccc(Cl)c1Cl)[C@H]1CCCO1 790180249 DLZXPMIEBSCOKM-GFCCVEGCSA-N 287.190 3.638 30 20 CHED CN(C)c1ccccc1CNN=C1CCC[C@H]1CCCF 794955718 AJDKHUYRTILDSQ-AWEZNQCLSA-N 291.414 3.748 30 20 CHED C=CCC(C)(C)C(=O)OC[C@H](OC)c1ccccc1 796456310 ZBCDRYSKVVXSAO-AWEZNQCLSA-N 262.349 3.520 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccnc(F)c1 794929148 PJWSFMPGYYMHCN-UHFFFAOYSA-N 288.713 3.582 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1snc(C)c1C#N 561181978 GBLYQIHNJBWYDL-CQSZACIVSA-N 269.373 3.731 30 20 CHED CCC1CCN(c2nc3ccccc3cc2C#N)CC1 71389841 YENGKUICZFPOAY-UHFFFAOYSA-N 265.360 3.733 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1C#N 799300789 LFBVHPHCNOEOAO-SFHVURJKSA-N 290.366 3.844 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](CO)c1ccccc1 793544449 YFVKPBMBLRKXKE-NVXWUHKLSA-N 261.409 3.835 30 20 CHED CC(C)Cc1ccccc1C(=O)NCc1cccc(C#N)c1 790270922 NPSMTVNDMNZOAK-UHFFFAOYSA-N 292.382 3.687 30 20 CHED CC1=C(Br)CN(CC(C)(C)CCC#N)CC1 797604967 GQLOCTILNNSPTA-UHFFFAOYSA-N 285.229 3.691 30 20 CHED N#Cc1ccc(Cl)cc1N1CCc2c(F)cccc2C1 756959711 OPUPUQVKJGYZOT-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C[C@@H]1CC[C@@H](C)[C@H](Nc2ccc(OCC#N)cc2)C1 85085978 RIZJNAFQHSUCHP-XJKCOSOUSA-N 258.365 3.826 30 20 CHED CCC1(CNc2nc(C(C)(C)C)ccc2C#N)CC1 1651587485 JEKSRTQYSUXQFE-UHFFFAOYSA-N 257.381 3.853 30 20 CHED CCc1oc2ccccc2c1C(=O)N(C1CC1)[C@H](C)C#N 1328478820 VJEWMJXKVUKWDC-LLVKDONJSA-N 282.343 3.512 30 20 CHED CC(C)c1ncc(-c2nnc(-c3ccc(C#N)cc3)o2)s1 1322325247 LWACPIOHOLSDPV-UHFFFAOYSA-N 296.355 3.855 30 20 CHED COc1cc(Oc2nc3cccc(C)c3o2)ccc1C#N 1186305083 RVQPHEYCXJJGBT-UHFFFAOYSA-N 280.283 3.809 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CCOC3(CCC3)C2)CCCC1 1334331518 DDCYFUWZLGNFOV-OAHLLOKOSA-N 291.435 3.588 30 20 CHED C#CC[C@@H](C)OC(=O)c1ccc(-c2csc(C)n2)cc1 1344034667 HOJVTTDEDBPDGG-LLVKDONJSA-N 285.368 3.687 30 20 CHED N#Cc1ccc(CN2CC3CCC2CC3)c(OC(F)F)c1 1341667830 SNYMBGSHXNHWKX-UHFFFAOYSA-N 292.329 3.534 30 20 CHED CC(C)N1CCCC[C@H]1CN(C)[C@@H](C)c1cccc(C#N)c1 1195368539 WSMXQUQNAHYMOE-LPHOPBHVSA-N 299.462 3.814 30 20 CHED C=CCN(C(=O)NCc1cc(Cl)ccc1C)C(C)C 1346301809 DEQQEYCTOVCIIG-UHFFFAOYSA-N 280.799 3.754 30 20 CHED N#C[C@H](C(=O)C1CCCC1)c1nc2cccc(Cl)c2[nH]1 1346149835 BQPQELIYTXAHQS-SNVBAGLBSA-N 287.750 3.583 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1C 1275419962 QMBBBRAWFRYZJF-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#C[C@@H](C(=O)c1cc2occc2s1)c1cccc(F)n1 1357599078 POUNMMNQLPELTE-MRVPVSSYSA-N 286.287 3.518 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@H]32)cc1 216464033 DMRSXMYXJJFSCK-DLBZAZTESA-N 254.377 3.713 30 20 CHED C[C@H]1CCCC[C@H]1N(C)Cc1cccc(C#N)c1F 218075322 IVWQHIDWNLIEND-SWLSCSKDSA-N 260.356 3.708 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1518678156 MPZLEVSQZAZGON-SJLPKXTDSA-N 298.430 3.969 30 20 CHED C[C@H](OC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 1524302449 PRHWSBKTGBYYIY-GKEYINFOSA-N 283.371 3.989 30 20 CHED C[C@@H]1[C@@H](Nc2nc(C#N)c(Cl)s2)CCC[C@H]1C 1458064949 OSXPXCKKVHQANA-VGMNWLOBSA-N 269.801 3.905 30 20 CHED C[C@H]1C[C@H](CCNC(=O)c2ccc(C#N)o2)CC(C)(C)C1 1524775808 PLARZCJTEDWIMC-STQMWFEESA-N 288.391 3.734 30 20 CHED N#Cc1cc(Oc2cccc(Oc3ccccn3)c2)ccn1 1458083879 QFYMORIJTANWBL-UHFFFAOYSA-N 289.294 3.933 30 20 CHED O=C(O)CC1CCC(=NNc2ccc3ccccc3n2)CC1 1608693500 LHMHKOKGMQWRHU-UHFFFAOYSA-N 297.358 3.668 30 20 CHED CCN(C(=O)c1cc(C#N)[nH]c1C)c1cccc(Cl)c1 1464030724 CQMFBYCSBDSFIT-UHFFFAOYSA-N 287.750 3.515 30 20 CHED Cc1cc(Oc2ccc(F)c(Cl)c2)ncc1C#N 1472640113 SOIZPFWVJAKPET-UHFFFAOYSA-N 262.671 3.847 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2csc(C)n2)s1 1618047944 TTZGHHFNBOVDEQ-UHFFFAOYSA-N 298.820 3.662 30 20 CHED COCc1cccc(Nc2cccc(F)c2C#N)c1 112011852 FBIAIQFENBFVJB-UHFFFAOYSA-N 256.280 3.587 30 20 CHED CCCC[C@H](CCC)NC(=O)c1cccc(C#N)c1 226189427 ZGYKVUDTLZKTLG-HNNXBMFYSA-N 258.365 3.647 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccccc1OC(F)F 163363568 RZPNGIODSLGQCK-VIFPVBQESA-N 261.699 3.691 30 20 CHED Cc1c(Cl)cnc(N[C@H]2C[C@]2(C)C(C)C)c1C#N 1472801067 INTAZSJWQJZCAP-GXTWGEPZSA-N 263.772 3.762 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)N=c1cc[nH]c(C#N)c1 1559087215 DVOGCGQHGOOZNL-AWEZNQCLSA-N 279.387 3.543 30 20 CHED CC(C)[C@@H]1CCN1Cc1cc(C#N)ccc1Br 1621200321 HQYMUCVEQUHGBN-AWEZNQCLSA-N 293.208 3.551 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)c1ccc(F)cc1F 1642523058 XNGYWWXKMCZQCB-GFCCVEGCSA-N 286.325 3.730 30 20 CHED COc1ccc(CNCC2(C)CCCCC2)cc1C#N 229587357 SZCCBMUZPSLTDO-UHFFFAOYSA-N 272.392 3.627 30 20 CHED Cc1cc(Oc2ncc(C#N)cc2F)c(C)c(C)c1C#N 1655458333 RSGUZJKQNLFAIB-UHFFFAOYSA-N 281.290 3.682 30 20 CHED CSc1ccc(CNc2cccc(OCC#N)c2)o1 1657713892 SJHJKDJQMDWMKV-UHFFFAOYSA-N 274.345 3.516 30 20 CHED Cc1c([C@H](C)Nc2cc(C#N)cnn2)oc2ccccc12 1651042806 XJWROHCGFNGVIA-NSHDSACASA-N 278.315 3.576 30 20 CHED O=C(O)c1cccc(NN=Cc2csc(Cl)c2)c1 1776038373 HNMCCZMUBYDJEK-UHFFFAOYSA-N 280.736 3.546 30 20 CHED C[C@@H]1CCCCCC1=NNc1ccc(F)c(C(=O)O)c1 1776063776 HYZVWGDHOSCCEM-SNVBAGLBSA-N 278.327 3.892 30 20 CHED Cc1ccsc1C(=O)/C=C/c1csc(C(=O)O)c1 1777477431 ZMUNPKJAYWMSMG-NSCUHMNNSA-N 278.354 3.712 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(/C=C\C(=O)O)o1 1777477220 KFPNLKISGBWVMC-PEPZGXQESA-N 288.324 3.643 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](CC)SC)c1ccccc1 151323607 IFFNKQLYPHBJLS-HUUCEWRRSA-N 277.433 3.952 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 151032744 FLEKSUKTIRPSRJ-HUUCEWRRSA-N 281.465 3.887 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@H](c2ccccc2)C1 153631370 RAKJJCVWKIFTMK-KRWDZBQOSA-N 292.382 3.556 30 20 CHED CCN(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C(C)C 157787839 CKJDNZOXCXZPPM-UHFFFAOYSA-N 289.379 3.608 30 20 CHED C=C(C)CNC(=O)c1cccc(NCC(C)(C)C)c1C 157411623 NGENIZWBOXTXDV-UHFFFAOYSA-N 274.408 3.759 30 20 CHED C=C(C)CNC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 156549784 HFNUCZUSHZDLOU-UHFFFAOYSA-N 299.201 3.637 30 20 CHED CC[C@@H](S[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 156596302 GBTGJIZNKGJUTR-DZGCQCFKSA-N 290.432 3.631 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1SC(F)(F)F 156635430 CGXDOPQUHCLQPB-UHFFFAOYSA-N 290.310 3.996 30 20 CHED N#CC1(C(=O)Nc2ccc(-c3ncco3)cc2)CCCCC1 156757830 YWBCPFLCKJYKPH-UHFFFAOYSA-N 295.342 3.754 30 20 CHED C#CCN(C(=O)c1ccccc1Cl)C1CCCCC1 65777832 LHVMXWSHFQCBFT-UHFFFAOYSA-N 275.779 3.748 30 20 CHED N#Cc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 35045327 HHHKNAKZYYBQLZ-MRXNPFEDSA-N 280.396 3.885 30 20 CHED CSc1ccccc1[C@H](C)NCCC(C)(C)C#N 281852396 ZJLVNVGDHRRVOB-LBPRGKRZSA-N 262.422 3.999 30 20 CHED CC[C@@H](CC#N)NCc1ccc2cc(OC)ccc2c1 54182161 IWKWENZOCPMTRM-INIZCTEOSA-N 268.360 3.630 30 20 CHED Cc1ccoc1CNc1c(C#N)cnc2ccccc12 312921179 CTFFAQJXBOITGL-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CC(C)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 444773908 TZWWDVYXYSDKOW-CQSZACIVSA-N 260.356 3.565 30 20 CHED CC1(C)CC(CNC(=O)C2(C#N)CCC2)CC(C)(C)C1 687968374 DTYKQAUXLLXAIS-UHFFFAOYSA-N 276.424 3.649 30 20 CHED C=C[C@@H](COC)N[C@H](CC)c1ccc(Cl)s1 381641786 ANTNQFMSCZYYIF-VHSXEESVSA-N 259.802 3.643 30 20 CHED Cc1cc(C)cc(CNc2snc(C)c2C#N)c1 596454515 RIJZRXXLNRPVLP-UHFFFAOYSA-N 257.362 3.552 30 20 CHED C#CCCCN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 382339639 XWVXXHQYCBRFTB-RYQLBKOJSA-N 255.405 3.962 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CC1=CCCCC1 804833795 LMDFQIROBHNFSV-UHFFFAOYSA-N 267.372 3.539 30 20 CHED C=CCCCCCCNC1CCC(COC)CC1 824376197 COFFSUDIQOEOFL-UHFFFAOYSA-N 253.430 3.918 30 20 CHED CC(C)(C)c1ncc(C(=O)Nc2ccccc2C#N)s1 102830881 KOKFAJVRITYVPA-UHFFFAOYSA-N 285.372 3.565 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@@H](C#N)C1CCCCC1 176623189 ZISVVHWUMCZNCW-HIFRSBDPSA-N 264.413 3.647 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(F)c(C)c2)c1 103717121 CNNJXNDWVYYXBZ-VQHVLOKHSA-N 297.329 3.989 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCCCCC#N)c1 177950635 RTVRYIHSYPFPFB-KRWDZBQOSA-N 299.418 3.844 30 20 CHED C=CCCCC(=O)Nc1cc(C#N)ccc1NCCC 175792977 WFLBBHHDPAGWMH-UHFFFAOYSA-N 271.364 3.675 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)cc2)C1 116814620 IXULIWUVTJSOMB-ABAIWWIYSA-N 276.767 3.542 30 20 CHED C[C@@H](NCCCCC#N)c1ccccc1OC(F)F 178644174 OUEVNYIWCJPZGX-LLVKDONJSA-N 268.307 3.632 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@H](C)C[C@@H](C)C2)c1 302156380 WGGKNHQAAZWPRT-QWHCGFSZSA-N 270.376 3.633 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cc3c(F)cccc3[nH]2)C1 116809621 PQUMXUXCNINWLE-GTNSWQLSSA-N 299.349 3.509 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cn1cc[nH]c1=S 173294339 JSTRURIXICXZTB-UHFFFAOYSA-N 299.852 3.906 30 20 CHED Cc1csc([C@H](C#N)C(=O)C(C)(C)Cc2ccccc2)n1 118141010 DSJFLLUHHMUJMK-CQSZACIVSA-N 298.411 3.897 30 20 CHED C=CC1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 110365063 GTOCKYFHEQSAMG-UHFFFAOYSA-N 257.377 3.848 30 20 CHED Cc1ccc2cccc(NC(=O)C3(C#N)CCCC3)c2n1 61875390 BNDNGHSFWVQCTA-UHFFFAOYSA-N 279.343 3.566 30 20 CHED C=CC[C@H](C)NC(=O)c1csc(-c2ccccc2)n1 116859648 YLUPWSTWKHXTJP-NSHDSACASA-N 272.373 3.505 30 20 CHED CCN(CCOc1cccc2ccccc12)C[C@@H](C)C#N 64953964 KAXOUSSQMJIVAO-HNNXBMFYSA-N 282.387 3.700 30 20 CHED Cc1c([C@@H](C)Nc2nccnc2C#N)oc2ccccc12 301169960 JUQNDUDZVIMKLX-LLVKDONJSA-N 278.315 3.576 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1F 62904390 VCSYSJQCZYTTEG-UHFFFAOYSA-N 294.329 3.526 30 20 CHED C=CCOCCCC(=O)N1CCCCC[C@@H]1c1ccco1 173617510 ZVRPREAAJFDBKZ-OAHLLOKOSA-N 291.391 3.706 30 20 CHED CC(C)C[C@@H]1CCCCN1CCCSCC#N 123606135 MWQVGKSIBRQXCO-AWEZNQCLSA-N 254.443 3.534 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C)c(C)s1 126223512 CXNYUQUFVFQAKP-UHFFFAOYSA-N 278.421 3.957 30 20 CHED C[C@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 301764861 CRWMCCCOFKYGNT-CYBMUJFWSA-N 295.342 3.900 30 20 CHED COc1cc(N[C@H](C)c2cccc(C#N)c2)ccc1[N+](=O)[O-] 301461081 UPOGCTZIGOPQFY-LLVKDONJSA-N 297.314 3.648 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnn([C@@H](C)C2CC2)c1 189652992 UFEGTZPRHVQCBK-STQMWFEESA-N 290.411 3.720 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1cc(F)ccc1F 182643988 CDRMPYWKICRCOX-LBPRGKRZSA-N 281.346 3.758 30 20 CHED Cn1cc(CNc2cc(Cl)cc(Cl)c2)cc1C#N 189574796 UYYSTJIBIWDNFI-UHFFFAOYSA-N 280.158 3.816 30 20 CHED C=CCCCNc1cccc(C(=O)NC(C)(C)C)c1 77245304 LANNPXALTKEOLN-UHFFFAOYSA-N 260.381 3.593 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 188414356 FHFUXOFNFSGLGV-QILLFSRXSA-N 271.404 3.993 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)C1 181577672 XBIMZLDTNHIYTD-LSDHHAIUSA-N 296.414 3.750 30 20 CHED CC[C@@H](C)N(C)CCNc1ccc(C(F)(F)F)cc1C#N 218081436 AIGIUJIKTZQFID-LLVKDONJSA-N 299.340 3.719 30 20 CHED CC#CCCCC(=O)NC(C)(C)CCc1ccccc1 185440483 ZTCSRRYVQVDDHU-UHFFFAOYSA-N 271.404 3.708 30 20 CHED C#CCOc1ccc(CN[C@@H](CC)c2c(C)noc2C)cc1 121310727 DVQRCNDFBMBEER-KRWDZBQOSA-N 298.386 3.544 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(F)cc(F)cc1F 182581314 AYULZFHQSFAWJG-VIFPVBQESA-N 271.282 3.579 30 20 CHED C=CCC(C)(C)C(=O)NCCC1CC(OC(C)(C)C)C1 507466544 TZUMPFNZZMWUHR-UHFFFAOYSA-N 281.440 3.689 30 20 CHED Cc1nn(C)cc1CS[C@@H](C)c1ccc(C#N)cc1 419414049 DTKVRIGLDLTQOP-LBPRGKRZSA-N 271.389 3.595 30 20 CHED N#CCc1cccc(NC(=O)c2cccc3ncccc23)c1 313460807 KOJXQIKGUOXHFE-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=CC[C@H](C(=O)NCCOc1ccccc1)c1ccccc1 186167613 XIIICIMVCGHWFH-SFHVURJKSA-N 295.382 3.542 30 20 CHED CN(Cc1ccc(F)cc1C#N)[C@H]1CCC(C)(C)C1 361468311 GFXYJOWJODKQAC-HNNXBMFYSA-N 260.356 3.708 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC 412234587 QJYXCBWDULUFNY-VNQPRFMTSA-N 287.403 3.660 30 20 CHED Cc1cccnc1[C@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 418144855 VFJUIBPZTBLKHX-JKSUJKDBSA-N 283.419 3.700 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Cc1ccccc1Cl 180388736 XDSVXNVEJIZHCG-LBPRGKRZSA-N 265.784 3.553 30 20 CHED N#Cc1ccc([C@H](O)CN(CC2CCCCC2)C2CC2)cc1 127187358 UXNKNBLVTMAKOM-LJQANCHMSA-N 298.430 3.636 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC 412234586 QJYXCBWDULUFNY-CWRNSKLLSA-N 287.403 3.660 30 20 CHED C=CCN(C(=O)Cc1nc(C)sc1C)c1ccccc1 122894320 MCIHBFQHPJAOHJ-UHFFFAOYSA-N 286.400 3.522 30 20 CHED COCC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CCC1 313854000 HXZAKSGMMCPNIY-UHFFFAOYSA-N 298.308 3.806 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 180469773 TYPSJDFPGSUDPE-STQMWFEESA-N 297.320 3.843 30 20 CHED C=CC[C@H](C(=O)N1CCS[C@H](CC)C1)c1ccccc1 189970341 GBVXGXLGCFVVGA-CVEARBPZSA-N 289.444 3.700 30 20 CHED COCCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(C)c1 185729714 WZBQAHUZKKOSOS-CABCVRRESA-N 288.391 3.515 30 20 CHED C=CCC1(C(=O)Nc2ccc(OCC)c(F)c2)CCC1 189164184 AGADDFGIRONOQH-UHFFFAOYSA-N 277.339 3.909 30 20 CHED C=CCn1c(SC2CCCC2)nnc1-c1ccco1 72066584 BCXYHGOLLKLCFB-UHFFFAOYSA-N 275.377 3.759 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(C)c(C)o1 132184393 JXEQLJNDXQYMBQ-UHFFFAOYSA-N 275.373 3.786 30 20 CHED C=C(C)[C@H]1OCC[C@H]1/C(O)=N/[C@@H](C)c1ccncc1CC 329969712 WRVKYANLUPDFFN-APHBMKBZSA-N 288.391 3.643 30 20 CHED C=C(C)CCN1CCC(CCCN(CC)CC)CC1 509023663 XJVKAWRNUHTNHR-UHFFFAOYSA-N 266.473 3.787 30 20 CHED C=C(C)CCN(CCC)[C@H](C)C(=O)Nc1ccccc1 509400427 PPKARHMZORARFM-OAHLLOKOSA-N 274.408 3.692 30 20 CHED N#Cc1csc(C(=O)N(CC2CC2)c2ccccc2)c1 84242435 FGCFSDOXUKLRBL-UHFFFAOYSA-N 282.368 3.677 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)[C@@H]2CC2(C)C)s1 411007225 MHSCEAXHRBTEIF-JTQLQIEISA-N 276.405 3.902 30 20 CHED C=CCCCCCN[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 193549338 QZZHWEWDMIJGNB-DLBZAZTESA-N 278.484 3.975 30 20 CHED CCN(Cc1cc(C)cc(Cl)c1)C[C@@H](C)C#N 507583117 OPAXGZUZVSNXMW-LBPRGKRZSA-N 250.773 3.630 30 20 CHED CCN(CCC#N)CCc1ccc2ccccc2c1 81039253 LTCYIHIEGLEYFN-UHFFFAOYSA-N 252.361 3.618 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(CCC)cs1 424771492 VZNCJHRCXSTXOI-UHFFFAOYSA-N 252.383 3.636 30 20 CHED C=CCCc1noc(COCc2cccc(Cl)c2)n1 420499996 DYCMDZBZMKKAME-UHFFFAOYSA-N 278.739 3.558 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1cccc(OCC)c1 191163140 LSOCTIDXTMWHDP-SUMWQHHRSA-N 275.392 3.865 30 20 CHED C[C@H](N/C(O)=N/CC(C)(C)C1CCCC1)[C@@H]1CCCOC1 329534014 YKUGGSBAYKYDRJ-UONOGXRCSA-N 296.455 3.522 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2ccccc2F)cc1 130154439 SYBLLDINUZATRJ-ZHACJKMWSA-N 284.286 3.508 30 20 CHED C[C@@H]1CCCC[C@@H]1NCCSCc1ccccc1C#N 512058224 NZMVMDWRKUASBH-PBHICJAKSA-N 288.460 3.960 30 20 CHED CCCCCCC[S@](=O)Cc1c(CC)noc1C 133827773 KROQOWCZUNDGKU-GOSISDBHSA-N 271.426 3.765 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(F)(F)F)c(F)c1 190553079 SKTJHLZPZDHDBN-UHFFFAOYSA-N 289.272 3.883 30 20 CHED C=CCN(C(=O)CCCC)c1nc2c(s1)CCCC2 515316842 PUPSUVWBRBKHMF-UHFFFAOYSA-N 278.421 3.731 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCC[C@@H](N)C1 420293110 XMVKZBRWLNVQHT-GXFFZTMASA-N 297.324 3.506 30 20 CHED C=CCCC(=O)Nc1cc(Cl)ccc1OC(F)F 425045316 JFAORVGIYUMRJY-UHFFFAOYSA-N 275.682 3.846 30 20 CHED C=CCCC(=O)Nc1cc(Cl)ccc1O[C@H](C)COC 191824071 VSCKIIPOLXZGSX-LLVKDONJSA-N 297.782 3.658 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nnc(-c2ccsc2)s1 191018956 QGJGLIFAAFBEKN-CYBMUJFWSA-N 293.417 3.807 30 20 CHED CN(CCC#N)C(=O)Nc1cccc(-c2cccs2)c1 85580532 QCMQKKFHHLQKBW-UHFFFAOYSA-N 285.372 3.792 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)c(C#N)c1 226279725 ORRXGGSFPKXDNL-UHFFFAOYSA-N 295.729 3.644 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CC23CCCCC3)cc1 514756087 PODCPXWEIWMYCM-DLBZAZTESA-N 296.414 3.900 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1ccnn1C)c1ccc(F)c(F)c1 193302548 OGACQYQUZCMARY-BDJLRTHQSA-N 291.345 3.666 30 20 CHED CCCCc1noc(COc2ccc(C#N)c(Cl)c2)n1 190255476 YRSUKYIEPIYKKF-UHFFFAOYSA-N 291.738 3.516 30 20 CHED N#C[C@H](C(=O)c1ccc2c(c1)CCC=C2)c1ccccn1 334515839 JOSOKYLMWKSBOW-INIZCTEOSA-N 274.323 3.531 30 20 CHED Cc1ccc(C#N)c(NC[C@]2(C)C[C@H]2c2ccccc2)n1 338738642 IEASBGPSCHDBDA-WMZOPIPTSA-N 277.371 3.867 30 20 CHED C/C(=C\c1ccccc1C(F)(F)F)CNCCC#N 337502260 MKVRMXUKTBGINA-PKNBQFBNSA-N 268.282 3.612 30 20 CHED C=CCC1(C(=O)N2CCc3c(C#N)cccc32)CCCCC1 421658165 RQJQRNCVEVRBNQ-UHFFFAOYSA-N 294.398 3.974 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCCC2(CC2)C1 338849417 LBLDOHMYPLSUAA-AWEZNQCLSA-N 288.439 3.748 30 20 CHED CC[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 426995503 QUTKDQWQUASOGA-OAHLLOKOSA-N 281.321 3.931 30 20 CHED C[C@H](CNC(=O)C(C)(C)C#N)c1c(Cl)cccc1Cl 330420871 ACFYZWJPMXXDSR-SECBINFHSA-N 299.201 3.763 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@H]1CCO[C@@H](C)C1 330187837 UCGVUHASNBDNMN-FZMZJTMJSA-N 299.374 3.788 30 20 CHED CCCCCCCCCC(=O)N1CCCN2CCC[C@@H]2C1 141729530 DAIWTPWZUMTCHD-QGZVFWFLSA-N 294.483 3.824 30 20 CHED Cc1cc(C)c(C(=O)N[C@H](C)c2cccc(C#N)c2)c(C)c1 90630618 MEVZMEMSRMDHSI-OAHLLOKOSA-N 292.382 3.975 30 20 CHED C=CCN(CCC1(OC)CCC1)Cc1ccccc1F 338924598 IQWGTCLKYJNMRQ-UHFFFAOYSA-N 277.383 3.773 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1oc2ccccc2c1C 92199367 GUPXTPOXHNMZBI-MDZDMXLPSA-N 294.354 3.933 30 20 CHED CC(C)(C#N)CCCCOc1ccc([N+](=O)[O-])cc1C=O 232521029 PRHSKTGGYWFLIY-UHFFFAOYSA-N 290.319 3.506 30 20 CHED COc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1Br 334695262 STKOCOYPCIHCFJ-NXEZZACHSA-N 295.180 3.562 30 20 CHED N#Cc1ccc2[nH]c(-c3cccc(Cl)c3)nc2c1 95938746 OFSBXJHBPQWABM-UHFFFAOYSA-N 253.692 3.755 30 20 CHED C=C(C)[C@@H](CC(=O)N1C[C@@H](C)c2ccccc21)OCC 339418618 FBQCYPPWCCBKFL-CZUORRHYSA-N 273.376 3.508 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CC(C)(C)c2ccccc21 436284953 NDDRJELXCYWFKV-QGTPRVQTSA-N 285.431 3.980 30 20 CHED CC[C@H](C#N)Sc1nc(C2CC2)nn1-c1ccccc1 436050893 LETVQGXPPBRIKU-CYBMUJFWSA-N 284.388 3.539 30 20 CHED CC[C@H](C)OCC(=O)Nc1cc(C(C)(C)C)sc1C#N 91207865 FIFWJPPNCFVKOP-JTQLQIEISA-N 294.420 3.671 30 20 CHED CC(C)c1ncsc1/C(O)=N/CC1C[C@@H](C)O[C@H](C)C1 331291645 BMAJLDPBHXAITI-GHMZBOCLSA-N 296.436 3.775 30 20 CHED C=CCOc1ccc(CN(C)Cc2ccccc2)cc1OC 435242406 ZECYKNJNKDQOGN-UHFFFAOYSA-N 297.398 3.892 30 20 CHED Cc1ccc(NCC#Cc2ccc(F)cc2)cc1C 433440836 AJJQZIOYMIHVHK-UHFFFAOYSA-N 253.320 3.906 30 20 CHED C=CCOc1ccc(CN[C@H]2CC[C@H](C)C2)cc1OC 436404588 CCKXBEZPZPJBEP-ZFWWWQNUSA-N 275.392 3.538 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)s2)[C@@H](c2ccccc2)CO1 245741624 LXHYOFZWZLCQLT-SUMWQHHRSA-N 298.411 3.582 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc3[nH]ccc3c2)no1 528095449 XDMHRQGKMMFQDI-UHFFFAOYSA-N 280.331 3.799 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1(CC(C)C)CCCC1 437485170 XNXWMJPAKUPDCO-HOTGVXAUSA-N 293.451 3.690 30 20 CHED CCOc1cc(NCc2ccc(OC)c(C#N)c2)ccc1C 522019411 HUNWAABHCVZODO-UHFFFAOYSA-N 296.370 3.886 30 20 CHED N#CCC[C@H](Nc1ccc(F)cn1)c1ccccc1 342786380 VNBRWNXUUSRDBG-AWEZNQCLSA-N 255.296 3.678 30 20 CHED Cc1ccc2cc(CNCC(C)(C)CCC#N)ccc2n1 342307516 ROXYNPYINAXDGC-UHFFFAOYSA-N 281.403 3.963 30 20 CHED C[C@@H](CCC#N)CN1CC[C@H](c2cccc(F)c2)C1 602462878 DJCJMKKMDPOGTG-ZFWWWQNUSA-N 260.356 3.555 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccc(-c3ccccc3)o2)C1 349793496 WCNFQTLHYVRZHI-UKRRQHHQSA-N 266.344 3.728 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@@H](OCC)C(C)C 348392029 ARTFEJJSICTGCR-OAHLLOKOSA-N 295.448 3.714 30 20 CHED C=CCOc1ccc(CN(C)[C@H]2CC[C@H](C)C2)cc1OC 433044938 ORIBMHZOOCMMBP-HOCLYGCPSA-N 289.419 3.880 30 20 CHED CCOc1cccc(C=Nc2ccc(F)cc2OC)c1O 255522530 UFIRDKSMNSAUAV-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CSc1c(F)cccc1C(=O)N[C@@](C)(C#N)C(C)(C)C 439140803 QAQKPSWGGDQRQA-HNNXBMFYSA-N 294.395 3.606 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cccc2nccn12 255271060 YRYFIMMTYJNMJM-FPLPWBNLSA-N 292.338 3.547 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(N(C)CCCC)cc1 522642705 AXKBFKJDSZCQFS-CQSZACIVSA-N 274.408 3.617 30 20 CHED COc1cc(C#N)ccc1CN(C)Cc1cccc(C)c1 347268059 QMFWRJSKSMWLJR-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C[C@H](C#N)Cn1nc(C2CC2)cc1-c1ccccc1 601931866 FXBISIDLASFVQJ-GFCCVEGCSA-N 251.333 3.587 30 20 CHED C[C@H](NCc1cccs1)c1ccc(C#N)c(F)c1 346066050 LCMBMXVZTPKKSE-JTQLQIEISA-N 260.337 3.610 30 20 CHED N#CCOc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 252404601 CWPNKSOKUOMMAG-RGQASFKMSA-N 282.387 3.826 30 20 CHED C=C(C)CCc1noc(CCc2cccc(OCC)c2)n1 528194142 YKKAJDOFHGJUTI-UHFFFAOYSA-N 286.375 3.762 30 20 CHED C=CCSCCNCCCc1c(F)cccc1Cl 520718183 CDYGFECIYORZHY-UHFFFAOYSA-N 287.831 3.921 30 20 CHED COc1ccc(/C=C\c2nc3ccccc3o2)cc1C#N 255522960 USVJYXCOJIRZLR-CLFYSBASSA-N 276.295 3.878 30 20 CHED Cc1ccc(/C=C\C(=O)c2cn(-c3ccccc3)nn2)s1 255196088 JYIBZLBJDOZYCT-KTKRTIGZSA-N 295.367 3.533 30 20 CHED CC[C@@H](CC#N)NCc1cnc(CCc2ccccc2)s1 449241907 CZNOJAIRSFPLIJ-HNNXBMFYSA-N 299.443 3.710 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(C(C)(C)C)cc1 604897220 NANMUHSUIDOFBM-CYBMUJFWSA-N 274.408 3.748 30 20 CHED N#C[C@@H](SCCCCS[C@@H](C#N)C1CC1)C1CC1 601080872 HVRSYTZZCGITJY-OKILXGFUSA-N 280.462 3.837 30 20 CHED CC(C)(C)N1CCCN(c2ccc(C#N)c(Cl)c2)CC1 609560632 AHULQYLWHZLATG-UHFFFAOYSA-N 291.826 3.522 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Cc2ccc(F)cc21 254885290 OHQMFFSNIUACLD-KPKJPENVSA-N 283.258 3.556 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 448566557 QXYALXDAMYGELJ-NEPJUHHUSA-N 286.158 3.523 30 20 CHED COCCCCCOc1cc(C#N)ccc1Br 601090916 CYTJYWYFNSABEV-UHFFFAOYSA-N 298.180 3.516 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccc(F)c2)CCCC1 449081430 FGEIFYNUZHKGNH-UHFFFAOYSA-N 275.367 3.921 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(C2CCCC2)no1 359924831 PGGFMBIBHXQEBU-NSHDSACASA-N 267.332 3.751 30 20 CHED C=C(CN[C@H](C)c1ccc(F)cn1)c1ccccc1 356696489 MMGMUYWTKPWVMF-CYBMUJFWSA-N 256.324 3.585 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1ncccc1Cl 603453277 FPLWDNLYRBTLMD-LBPRGKRZSA-N 274.776 3.962 30 20 CHED COCC(C)(C)CCCNC1CCC(C)(C#N)CC1 449328510 FSUUUSVFWLQBJO-UHFFFAOYSA-N 266.429 3.501 30 20 CHED C=CCN(C(=O)CCSc1ccc(C)c(C)c1)C1CC1 539035355 OEKBAIRBFBGIHD-UHFFFAOYSA-N 289.444 3.963 30 20 CHED C=C1CCN(Cc2cnc(-c3ccc(C)o3)s2)CC1 353319700 HAKRCWITVYSUAD-UHFFFAOYSA-N 274.389 3.864 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc2ccoc12 449302331 UZUOBZVZSDHDRK-HOTGVXAUSA-N 271.360 3.504 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NCc1ccc(C#N)s1 538413130 XKBKVMCZGANCEK-BXUZGUMPSA-N 262.422 3.924 30 20 CHED C=CCCCCCNc1cccc2c1OCCC2=O 447405547 PTRWGEYYEYXBGP-UHFFFAOYSA-N 259.349 3.810 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)C2CCC(C)(C)CC2)C1 532281836 VSVVMYHLHHYRIW-SUMWQHHRSA-N 276.424 3.791 30 20 CHED CC(C)(C)CN(CCC#N)C[C@@H]1CCOc2ccccc21 611268825 RQLRDCQGULKFJB-HNNXBMFYSA-N 286.419 3.814 30 20 CHED N#CCC[C@H](NC(=O)[C@H]1CC12CCCC2)c1ccccc1 533370243 GXBFSHBUPSVUMW-CVEARBPZSA-N 282.387 3.728 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2c(C)[nH]c3ccccc23)C1 617787636 SYSPYSYFFDWHQM-HNNXBMFYSA-N 296.414 3.834 30 20 CHED CCc1nnc(CS[C@H](C)c2cccc(C#N)c2)s1 615465983 LBTCGIIHTUFJJZ-SNVBAGLBSA-N 289.429 3.967 30 20 CHED C[C@H]1c2ccsc2CCN1c1ccc(C#N)cc1[N+](=O)[O-] 610350329 QVLJCGNEDWYPAI-JTQLQIEISA-N 299.355 3.652 30 20 CHED Cc1cc(CN2CCC[C@@H]2c2ccc(O)cc2)ccc1C#N 618593482 NVLYZZHEDQNFGR-LJQANCHMSA-N 292.382 3.909 30 20 CHED C=CCCCNc1ccccc1C(=O)N1CCC(C)CC1 354323565 HDJOCVHNGFZYTG-UHFFFAOYSA-N 286.419 3.937 30 20 CHED CCCN(CC#N)C(=O)c1ccc(C)c(Cl)c1Cl 448760935 BPNQDYIJKVLQST-UHFFFAOYSA-N 285.174 3.678 30 20 CHED N#CCCCC(=O)N(Cc1ccco1)Cc1cccs1 359831676 KKTFIJFWXOTGHP-UHFFFAOYSA-N 288.372 3.564 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1C[C@]1(C)C(C)C 356466549 XUBCIQUGROBYNC-NVXWUHKLSA-N 278.440 3.847 30 20 CHED CC(C)(CN[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 442782873 OXFCKXBFCUGVQG-SWLSCSKDSA-N 276.811 3.899 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](CC)C1CC1 618868348 MSWUCUBVRBZLQA-CQSZACIVSA-N 275.417 3.883 30 20 CHED C=CCC1(NC(=O)C[C@H](CC)CCCC)CCOCC1 618248157 XHHYNPVGDFYOSN-OAHLLOKOSA-N 281.440 3.834 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1nc(C2CCCC2)no1 264578446 BQSHANAVYHLUKJ-NSHDSACASA-N 283.331 3.739 30 20 CHED CC#CCCCC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 368399874 MKKXVYFSDIFBKE-UHFFFAOYSA-N 295.386 3.826 30 20 CHED C=CCC1(CN[C@@H](c2cccnc2)c2ncc[nH]2)CCCC1 453384983 UODHIQXZQPYCRF-INIZCTEOSA-N 296.418 3.620 30 20 CHED Cc1cc(F)cc2c(N3CCCCC3)c(C#N)cnc12 610245090 OXUUQCVUJJVULQ-UHFFFAOYSA-N 269.323 3.544 30 20 CHED CC(C)[C@H](NC(=O)N(C)CC(C)(C)C#N)c1ccccc1 457513944 IGHCKNNSTFHJHZ-HNNXBMFYSA-N 287.407 3.575 30 20 CHED CC(C)=CCCNC(=O)Nc1ccc(CC#N)cc1Cl 455737021 SSVGQUBRQUGSNU-UHFFFAOYSA-N 291.782 3.884 30 20 CHED Cc1ccnc(N2CCC[C@@H]2Cc2ccc(F)cc2)c1C#N 541274389 UDLFHSOUKOYJGZ-MRXNPFEDSA-N 295.361 3.612 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1noc(-c2ccccc2C)n1 276746718 KBUOGKJGVCPWMB-GXTWGEPZSA-N 285.391 3.735 30 20 CHED C=CC(C)(C)CNC(=O)c1oc2ccccc2c1C 452779613 UMAUVVXHWQHWIU-UHFFFAOYSA-N 257.333 3.683 30 20 CHED Cc1cc(Cl)cc(CNCC(C)(C)CC#N)c1 459733886 RFAXSSZGIVSUKP-UHFFFAOYSA-N 250.773 3.678 30 20 CHED C=CCC1(NC(=O)CCc2nc(C)cs2)CCCCC1 456364288 JIYDXNGVNCZAMG-UHFFFAOYSA-N 292.448 3.779 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H]1CC 455348658 LLIGMQPYUKFRHM-SJORKVTESA-N 299.418 3.526 30 20 CHED CC(C)[C@@H]1N(C(=O)NCC(C)(C)C#N)CC12CCCCC2 458646436 KBYQTNLBIIDWBY-AWEZNQCLSA-N 291.439 3.536 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](CC)C1CC1 618868344 MSWUCUBVRBZLQA-AWEZNQCLSA-N 275.417 3.883 30 20 CHED C#CCCCCC(=O)N1CCCC[C@@H]1Cc1ccccc1 271346337 DRWINECZUGUVAV-GOSISDBHSA-N 283.415 3.804 30 20 CHED CC(C)CN(CCc1cscn1)Cc1ccc(C#N)cc1 450312641 MVXAZKHOLLFFMA-UHFFFAOYSA-N 299.443 3.715 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1ccc(Cl)cc1F)C(C)C 543777984 ZDGJKXYPBNTTSK-MLGOLLRUSA-N 299.817 3.950 30 20 CHED Cc1c(C#N)c(N2CC[C@H](C3CC3)C2)nc2ccccc12 450414797 YPOFSALMPWIVSC-AWEZNQCLSA-N 277.371 3.651 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(n2c(C)ccc2C)CC1 276123782 LXXSTEXHNLDIFV-GOSISDBHSA-N 288.435 3.871 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 278837142 UMYIWDGPDVROMJ-RMHZUWNSSA-N 290.382 3.574 30 20 CHED CC(C)[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1 541912569 BDAODOIUCYIAFR-KRWDZBQOSA-N 299.418 3.719 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 547726097 FVRHGMCCTXWQON-CYBMUJFWSA-N 290.794 3.720 30 20 CHED C=CCOCCCC(=O)N1c2ccccc2CC[C@H]1CC 361319146 BDGFAWDSPKXEME-MRXNPFEDSA-N 287.403 3.727 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 458591089 YIGHLXKIFZZFDF-IXDOHACOSA-N 299.418 3.765 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@](F)(c2ccccc2F)C1 549025238 GQCQWYDGBQOSDM-IRXDYDNUSA-N 293.357 3.825 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCCc2ccc(C)cc21 451777096 BSVGHKCFIIFBOD-HNNXBMFYSA-N 257.377 3.701 30 20 CHED C=CCC[C@@H](CCC)NC[C@H]1CCOC(C)(C)C1 453438996 VPUOKGGRFWIXRH-LSDHHAIUSA-N 253.430 3.916 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(C#N)s1 362881903 CIJPVZKEWGRKEN-UHFFFAOYSA-N 288.397 3.510 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](c1ccccc1)C(F)(F)F 547518881 KASLTHGAVFQIPE-ZDUSSCGKSA-N 298.308 3.674 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](C)CCCC(F)(F)F 454853114 FHMCLHYWOFOQQW-JTQLQIEISA-N 280.334 3.619 30 20 CHED C=CCC[C@H](C(=O)NCCC(=C)C)c1ccccc1 452716229 GRYDZCDXYADKFW-INIZCTEOSA-N 257.377 3.819 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(Cc2ccc(C(C)C)cc2)no1 453068217 XTIBHFRYWCDOFS-CVEARBPZSA-N 298.386 3.842 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 455383590 KVPLIEXRIJAWLC-ZBFHGGJFSA-N 286.419 3.991 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1nccs1 273452105 OWPQKNRKRYFVOD-WDEREUQCSA-N 289.379 3.608 30 20 CHED C=CCCCNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 468399128 GOLOUSGNKVWICK-UONOGXRCSA-N 297.320 3.891 30 20 CHED CCN(Cc1cncc(F)c1)[C@@H](C)c1ccc(C#N)cc1 274377987 RUPKMFMZCFHLRD-ZDUSSCGKSA-N 283.350 3.675 30 20 CHED Cc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 540702613 XTNPLJLXYYUDMI-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C=CCC[C@H](NCCc1cn2ccccc2n1)c1ccco1 276507398 YRLZSXHZCTUIPE-INIZCTEOSA-N 295.386 3.767 30 20 CHED C=CC[C@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccccc1 275237361 VZCPXBMPTRODHF-AWEZNQCLSA-N 281.359 3.586 30 20 CHED CCCC[C@H](C)C(=O)N[C@H](CCC#N)c1ccccc1 283511786 MNHLMKAJPHCJFP-GOEBONIOSA-N 272.392 3.974 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 620858373 FKFJUFVRIWOACS-QWHCGFSZSA-N 293.357 3.929 30 20 CHED C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)CN(C)c2ccccc21 468012081 QFLYGFSDFWOFOH-KSSFIOAISA-N 286.419 3.708 30 20 CHED CCCCCCCCC(=O)NCc1cnc2n1CCCC2 375300398 APHSCOWFBDNGJD-UHFFFAOYSA-N 291.439 3.586 30 20 CHED CC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)C(C)(C)C 463654343 HORPHZJQRGGABB-ZDUSSCGKSA-N 261.325 3.703 30 20 CHED C=C(C)CN(CC)C(=O)Cc1c(C)oc2ccccc12 464556202 ZBUGBOZLPDIRQB-UHFFFAOYSA-N 271.360 3.708 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC12CCCC2 468795856 CIDDIWVRICGQDQ-AWEZNQCLSA-N 297.402 3.899 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(C(C)C)nc2ccccc12 465145148 HTAXCOFDXBNILS-GFCCVEGCSA-N 268.360 3.663 30 20 CHED CC(C)[C@H](C)N(C(=O)c1cc(C#N)ccc1Cl)C1CC1 285210887 WYTXCOVTAWVGFI-NSHDSACASA-N 290.794 3.861 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC2(CCSCC2)CC1 633206268 FJMAUPHYFOXBOP-AWEZNQCLSA-N 296.480 3.660 30 20 CHED Cc1ccc(CCC(=O)N[C@H](C)c2ccc(C#N)cc2)s1 289452993 LFBUAOPGHWQQHS-CYBMUJFWSA-N 298.411 3.738 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C)c(C)c1O 280793603 JUQKWIVRKINVII-RKVPGOIHSA-N 289.419 3.641 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1c(C)c(C)c(C)c(C)c1C 552365427 APSHVBAZSWRNMB-GOSISDBHSA-N 286.419 3.785 30 20 CHED C=CC[C@@H](C)NC(=O)CC1CC(c2ccccc2)C1 281199517 IYSREJXEVDJKEO-VQCLRJIVSA-N 257.377 3.651 30 20 CHED CC#CCN(C)C(=O)c1ccc(Oc2ccccc2)cc1 558047519 KWHHZRHHGPSQLH-UHFFFAOYSA-N 279.339 3.574 30 20 CHED Cc1csc([C@@H](Nc2ccc(C#N)c(C)n2)C2CC2)n1 292009475 RYVZFNGNTBTBLQ-AWEZNQCLSA-N 284.388 3.590 30 20 CHED CC(C)N(CCC#N)Cc1ccc2c(c1)CC(C)(C)O2 556812018 AFMCEAZETBABPD-UHFFFAOYSA-N 272.392 3.524 30 20 CHED CCCCCCCC(=O)NCC(C)(C)c1ccccn1 295909673 ZQAPQAMGAUHCKR-UHFFFAOYSA-N 276.424 3.836 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)[C@H]2CC2(F)F)s1 297661338 FEEJNAFVBYFWOO-MRVPVSSYSA-N 284.331 3.511 30 20 CHED C[C@@H](C#N)OCCSCCCOc1ccc(Cl)cc1 802749935 SCJMJFOOAVXMDG-LBPRGKRZSA-N 299.823 3.771 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1nccnc1C1CCC1 807992044 YMPRPXYSOGBJGR-LLVKDONJSA-N 272.396 3.968 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N[C@]3(C#N)CC3(C)C)oc12 291375452 DPJVDSDCCHPJOD-SFHVURJKSA-N 296.370 3.780 30 20 CHED CC(C)n1cc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)nn1 806573344 IHZGDYVAMIGQHJ-CIKBWMHTSA-N 293.370 3.559 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H](C)C(C)(C)C)o1 800811081 GTLKBGHQTPSWPV-SNVBAGLBSA-N 262.357 3.750 30 20 CHED C=CCOc1ccc(CNC(=O)C2(CC)CCCC2)cc1 560996089 KMYOKUVNFGOEBF-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C[C@H](NC(=O)/C=C\c1ccccc1C#N)c1ccsc1 801017732 GMPQBHZURCUSMW-DGMVEKRQSA-N 282.368 3.510 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc(Cl)cc1C 802767468 UZTJSLDWRVZKRR-CQSZACIVSA-N 265.740 3.632 30 20 CHED C=CCCc1ccccc1NC(=O)c1ccn(C)c1CC 563846232 DFOIMFCYLAUSBO-UHFFFAOYSA-N 282.387 3.958 30 20 CHED C[C@@H]1CC[C@H](C=NNc2ccc(C(F)(F)F)cn2)C1 800804900 LUHHHMVGRFNCSI-ZJUUUORDSA-N 271.286 3.934 30 20 CHED Clc1ccc(C#CCn2cnc(Cl)c2Cl)cc1 809962384 CXBVLJSZNQUHBY-UHFFFAOYSA-N 285.561 3.895 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@]23CCC[C@@H]2C3)cc1 567613519 YKPQIZUCNBSNPG-GJYPPUQNSA-N 296.414 3.855 30 20 CHED C[C@@H]1CCCC[C@H]1OCCSc1cccnc1C#N 563412420 FACIMIHVACVEQC-TZMCWYRMSA-N 276.405 3.641 30 20 CHED CC(=NNc1ccccn1)c1cccc(C2CC2)c1 814731796 KBKMCEXOFMXJQA-UHFFFAOYSA-N 251.333 3.795 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2C(F)F)s1 812241768 MNYOBSNBIHMRMF-SNAWJCMRSA-N 282.315 3.624 30 20 CHED N#CCCC1CCN(Cc2cc(F)cc(Cl)c2)CC1 567906141 ITPRJQXHVQBMLE-UHFFFAOYSA-N 280.774 3.995 30 20 CHED C=CCCC1(c2nc(-c3ccnc(OC(C)C)c3)no2)CC1 566763568 MZLYQNQGUCECKH-UHFFFAOYSA-N 299.374 3.917 30 20 CHED N#CC1(CN2CCC(c3cccc(Cl)c3)CC2)CC1 483121700 QHIPXKNFCCAJIX-UHFFFAOYSA-N 274.795 3.823 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1csc(Cl)c1 488871904 AOSOSRADPYZUAD-JTQLQIEISA-N 255.770 3.582 30 20 CHED C=CCN(CCOc1cccc(Br)c1)C(C)C 917069114 IAGIGXFJFCOZGU-UHFFFAOYSA-N 298.224 3.724 30 20 CHED CCC(C)(C)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813214516 ZAJZTXXFVNSMFQ-JTQLQIEISA-N 284.281 3.713 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ncc(C)cc1C 657281619 KYKAKJIQSGKXRK-AWEZNQCLSA-N 292.448 3.604 30 20 CHED Cc1cc(CNCCCc2cccs2)ccc1C#N 573666988 NVKJUBVSAKYVFO-UHFFFAOYSA-N 270.401 3.651 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNC[C@H]1CCSC1 811661118 ZHMOADGHLQWNOJ-JHJVBQTASA-N 254.443 3.531 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1cc(C)ccc1F 814872281 JDGSSBQQJZUXFA-UHFFFAOYSA-N 278.327 3.567 30 20 CHED C=CC[C@H]1CCCC[C@H]1Nc1cnn(Cc2ccccn2)c1 657956073 OOHSNZHAANIKFD-MAUKXSAKSA-N 296.418 3.873 30 20 CHED C=CCCCCCN[C@@H](C)c1ccc2nc(O)oc2c1 655807735 SWMSDMAEJCZLAD-LBPRGKRZSA-N 274.364 3.930 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)cc1F 811689324 ZCMAJLOFUKSCKN-FNORWQNLSA-N 299.276 3.741 30 20 CHED CC(=NNc1cccc2cnccc12)c1csc(C)n1 728432623 ZNGJONLUJUQWIP-UHFFFAOYSA-N 282.372 3.836 30 20 CHED CC[C@@H](N=c1ccc(C#N)c(C)[nH]1)c1ccc(Cl)s1 488121566 XEOHFDRYWUPPHY-LLVKDONJSA-N 291.807 3.962 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccc(O)c(F)c1 728432905 ICJKEGPVBRYHSD-UHFFFAOYSA-N 295.317 3.916 30 20 CHED C[C@H](SCC1(C#N)CCC1)c1cn(-c2ccccc2)nn1 571063241 YGGIJWVCNZHOEF-ZDUSSCGKSA-N 298.415 3.755 30 20 CHED C[C@@H]1[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CCC[C@H]1C 576625812 LBHRVIOZPMYHDA-QISBLDNZSA-N 268.404 3.960 30 20 CHED C[C@H]1CCCCN1C(=S)Nc1ccc(C#N)c(Cl)c1 726435281 DVEZKWBQTAAXNG-JTQLQIEISA-N 293.823 3.783 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)C(=S)NCC)c1 728227001 UEYJPNFCZFEJMI-UHFFFAOYSA-N 294.423 3.569 30 20 CHED C[C@@H](CC(=O)N(CC#N)c1ccccc1)c1ccc(F)cc1 495491138 RYGQNBCBTTVPRA-AWEZNQCLSA-N 296.345 3.876 30 20 CHED C/C=C/C=C\C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 490576885 OZAURCMQUCUEQY-DEQVHDEQSA-N 282.387 3.675 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C(=O)O)ccc1Cl 828212953 YSKNWCPCRZNABQ-SNVBAGLBSA-N 295.766 3.513 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H](C)c2ccccc2F)c1 728481371 ATMDKFHZFYSWJR-AWEZNQCLSA-N 295.357 3.964 30 20 CHED CN(CC(C)(C)C#N)C(=O)C(C)(C)c1cccc(Cl)c1 497424356 HYBHYXONVMBECV-UHFFFAOYSA-N 292.810 3.626 30 20 CHED C=CCCCCCCCNC(=O)c1c(F)cncc1F 822996988 FFQWHELQKFOAIT-UHFFFAOYSA-N 282.334 3.616 30 20 CHED CCOc1ccc(Cl)cc1[C@H](C)NCC1(C#N)CC1 903106408 PLKBWROIUKIBNU-NSHDSACASA-N 278.783 3.693 30 20 CHED C=CCn1c(S[C@@H](C)OC)nnc1-c1cccc(C)c1 901402033 OYZAQVOXXDFRKS-LBPRGKRZSA-N 289.404 3.524 30 20 CHED Cc1nn(C)c(/C=C2/C(=O)c3ccccc3[C@@H]2C)c1Cl 901505774 GSFCFSFUMPHSMP-ITTMYVLYSA-N 286.762 3.765 30 20 CHED CC(C)c1ccc(NCc2cccc(C#N)c2)cn1 905432346 GESDFTWZGHHWGI-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C[C@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)Cc2ccccc21 822219772 QIDGIWCAKPXFCM-LIRRHRJNSA-N 294.398 3.606 30 20 CHED CC(C)=CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739591501 YFNZEONYJTWEDT-UHFFFAOYSA-N 296.395 3.869 30 20 CHED Cc1cc(C#N)cc(N[C@H]2c3ccccc3NC2(C)C)n1 905675332 WDJODNXOTATJTM-INIZCTEOSA-N 278.359 3.619 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C=C3CCCC3)[nH]c12 735788243 CAXSMKFOSHDHPL-ZDUSSCGKSA-N 279.343 3.548 30 20 CHED CC(C)COc1ccc(C=NNC2CCCC2)cc1 730145841 SNZCUOWTXAORHF-UHFFFAOYSA-N 260.381 3.588 30 20 CHED CC(C)CCOc1ccc(Nc2cc(C#N)ncn2)cc1 584209835 MTADGCVTZNNNIC-UHFFFAOYSA-N 282.347 3.517 30 20 CHED CC[C@@H](NCC1(CCOC)CCC1)c1cccc(C#N)c1 902840865 ILYFFHJNRKMACL-QGZVFWFLSA-N 286.419 3.806 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccc(C#N)cc1 739426971 YGGKIUQZIFELAQ-CLFYSBASSA-N 292.294 3.671 30 20 CHED C#Cc1cccc(CNC(=O)Nc2ncc(C(C)C)s2)c1 836555870 JVLSYJFVWVWJRG-UHFFFAOYSA-N 299.399 3.570 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N(CCC#N)CC(C)C 732755461 AJLIMLQFTCNFSC-KRWDZBQOSA-N 286.419 3.654 30 20 CHED CC[C@H](NCCc1cccc(C)n1)c1cccc(C#N)c1 902976396 QHDUSACHXIKFGU-SFHVURJKSA-N 279.387 3.545 30 20 CHED C=CC[C@@H]1CCCN([C@@H](C)c2nc(C(C)C)no2)C1 661379188 VNMVRWMIAFDWKN-QWHCGFSZSA-N 263.385 3.542 30 20 CHED C=C(C)COCCNC(=O)c1ccc(C2CCCC2)cc1 581077449 MTDVGNRMTQZTDX-UHFFFAOYSA-N 287.403 3.667 30 20 CHED CC[C@@H](C)CC=NNc1cc(C(F)(F)F)ccn1 834986898 YHEBRPNPJSXJRS-SECBINFHSA-N 259.275 3.934 30 20 CHED C[C@H](NN=Cc1ccnc2ccccc12)c1ccccc1 731313800 LWRFKRIEKTYPMR-AWEZNQCLSA-N 275.355 3.920 30 20 CHED CC[C@H](C)[C@@H](C=NNc1ccc2ccccc2n1)OC 834919573 JBLBZMXECKXVSK-SWLSCSKDSA-N 271.364 3.694 30 20 CHED CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 835038049 UCXRGCYSWMCMBQ-ZIAGYGMSSA-N 297.402 3.822 30 20 CHED C[C@@H](Oc1ccc2c(c1F)CCC2=O)c1ccc(C#N)cc1 582927074 PMJAPOCBAFVHPF-LLVKDONJSA-N 295.313 3.966 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccc(CC)cc2)c1 733619220 LYWYIQLYVNRVOB-UHFFFAOYSA-N 264.328 3.874 30 20 CHED C=CC[C@@H]1N(CCC(C)(C)C(=O)O)CCCC1(C)C 902544790 CGZFIEAHAPWBIL-ZDUSSCGKSA-N 267.413 3.554 30 20 CHED CC1CCC(C)(NC(=O)CCCCCC#N)CC1 588904349 DWOUSLPFSGOGOI-UHFFFAOYSA-N 250.386 3.545 30 20 CHED C=CCC1(C(=O)OCCC(C)(C)C#N)CCCCC1 838153648 IPDLNVWKRINVHE-UHFFFAOYSA-N 263.381 3.996 30 20 CHED N#CCCCC(=O)Nc1cccnc1Oc1ccccc1 589752271 GJWKBPYDUCRITF-UHFFFAOYSA-N 281.315 3.506 30 20 CHED CCc1c(C)sc(NC(=O)C(C)=C2CCC2)c1C#N 839273628 WTHUPBLDBUCQAC-UHFFFAOYSA-N 274.389 3.930 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(F)cc1OC1CCCC1 676274584 FEKDGYVVUZPTTK-LLVKDONJSA-N 292.354 3.843 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc2nccc(C)c2c1 839038547 JJCVTJSBXPEKBS-CYBMUJFWSA-N 267.328 3.502 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2nc(O)cc(C)c2c1 912818061 HJNBOJHSDUESFE-UHFFFAOYSA-N 297.358 3.517 30 20 CHED Cc1ccc(N=C2NN=C(C(C)C)CS2)c(C)c1 730815277 HICSRPDXFWUWBM-UHFFFAOYSA-N 261.394 3.639 30 20 CHED CC#CCCCCOC(=O)c1ccc2cnccc2c1 835311811 XSZKDJCMKOJFHB-UHFFFAOYSA-N 267.328 3.585 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2CSc3ccccc32)C1 839057374 XDMNBUSWQMSDSB-DYEKYZERSA-N 287.384 3.501 30 20 CHED C[C@H](NN=Cc1cnc(C2CCCC2)s1)C(F)(F)F 835003097 WGZFJVSBHLHQAI-QMMMGPOBSA-N 291.342 3.675 30 20 CHED C=CCCCN[C@@H](C(=O)O)c1ccc(Cl)cc1Cl 833373783 CQZOPIMSVSOSOW-GFCCVEGCSA-N 288.174 3.675 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCOC(C2CC2)(C2CC2)C1 595822152 NUROLVMJYDDJJE-AWEZNQCLSA-N 296.414 3.510 30 20 CHED CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H](C#N)CC 593399533 HVHDUXWQRBQKIU-LLVKDONJSA-N 296.773 3.767 30 20 CHED CCCCC[C@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N 598626846 BVPWDKYYKZBHLP-HOTGVXAUSA-N 280.456 3.722 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C1CC1)[C@@H](C)C#N 598138087 QUDNQAIRUVRXDC-ILXRZTDVSA-N 296.414 3.879 30 20 CHED CSc1c(F)cccc1NC(=O)C1(C#N)CCCC1 598852238 FCTWVJBTEVBPEI-UHFFFAOYSA-N 278.352 3.570 30 20 CHED C=CCN(C(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)C 598870387 HYTQZFZBZBATIQ-UHFFFAOYSA-N 276.767 3.638 30 20 CHED CC(C)CCCCCC(=O)OCC1(CC#N)CC1 749040714 KDWBABDOJPTRNS-UHFFFAOYSA-N 251.370 3.830 30 20 CHED COCC(=NNc1ccc(C(F)(F)F)cc1)C1CC1 746577315 DRLOOAZDXODALA-UHFFFAOYSA-N 272.270 3.530 30 20 CHED C=CCC[C@H](NCc1cccnc1OC(C)C)C1CC1 676637458 OCKKULJYPXNVRW-INIZCTEOSA-N 274.408 3.703 30 20 CHED CCCCCCCCCNC(=O)N1C[C@@H]2[C@@H](C1)C2(F)F 844865718 ZVAZUMYCBLDREN-CHWSQXEVSA-N 288.382 3.644 30 20 CHED C=CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)C 914683048 CMMQUXXCXROPHI-UHFFFAOYSA-N 287.281 3.622 30 20 CHED CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CCCC1 593957846 LOASIYKWOAKHJA-AWEZNQCLSA-N 284.403 3.528 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc3c(C)cccn23)ccc1O 741468295 VKXRHZZHHFMGDM-SOFGYWHQSA-N 292.338 3.553 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CCSc2ccccc21)C1CC1 842316625 MMYDPTNOOWXEAJ-GJZGRUSLSA-N 286.396 3.611 30 20 CHED Cc1ccc(N(C)Cc2cccc(C#N)c2)cc1C 917073040 AYRPQNIKGBCCMG-UHFFFAOYSA-N 250.345 3.812 30 20 CHED COc1cccc([C@H](C)/N=C\c2cccc(OC)c2O)c1 917558752 XGIDRARVEFTQPI-SJWFJVLYSA-N 285.343 3.590 30 20 CHED N#CCCCN[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 592156709 SAHGYDLUDZSULK-CYBMUJFWSA-N 299.271 3.804 30 20 CHED CC(C)c1ccc(NC(=S)NN=Cc2ccncc2)cc1 916299256 GCDVFTJIVUZIKV-UHFFFAOYSA-N 298.415 3.526 30 20 CHED CC(C)(C#N)CNCc1ccc(Oc2ccc(F)cc2)nc1 597083603 SXHQZCASZCDQMH-UHFFFAOYSA-N 299.349 3.652 30 20 CHED CCC[C@H](C)C(CC)=NNc1ccc(Cl)nn1 748244092 JBMOBUGKZCOZSF-VIFPVBQESA-N 254.765 3.744 30 20 CHED CCCCCCCC(=O)NC[C@H]1Cc2ccccc21 918136591 PRIABSVVESFXMP-OAHLLOKOSA-N 259.393 3.803 30 20 CHED Cc1ccc(O[C@@H](C)C/N=C\c2ccccc2O)cc1 743042337 JCPQAOMFGPTTAX-HIXWQLQUSA-N 269.344 3.587 30 20 CHED FC(F)(F)c1ccc(NN=C2CCC[C@@H]3C[C@H]23)nc1 841602635 HLISXMDLHZKIGQ-SCZZXKLOSA-N 269.270 3.688 30 20 CHED CC(C)Oc1ccc(CNCCc2ccc(C#N)cc2)cc1 594956731 ZTOQJJYTBCPTFS-UHFFFAOYSA-N 294.398 3.678 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nc([C@H]3CCCS3)no2)c1 591453930 PDVVDQMUOCOLCD-BFHYXJOUSA-N 297.383 3.780 30 20 CHED C=CCCCC(=O)NCc1ccc(OC(C)(C)C)cc1 748298212 UGGFLINXFQKBPP-UHFFFAOYSA-N 275.392 3.836 30 20 CHED CC[C@H](C/N=C/c1ccccc1O)CC(F)(F)F 840711391 QICUGPZKJNCBAW-VJCPFXPRSA-N 259.271 3.790 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 593476688 WTOGRDFLHANCEJ-GJZGRUSLSA-N 298.411 3.698 30 20 CHED CCCCCCCCOCC(=O)N1Cc2ccccc2C1 741561596 GXVILARKTQIMFF-UHFFFAOYSA-N 289.419 3.906 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccccc1Cl)C(C)C 593471967 LDCMINDFLMLXET-SMDDNHRTSA-N 278.783 3.703 30 20 CHED C=C(C)CNC(=S)N[C@H](c1ccc(F)cc1)C(C)(C)C 920992406 DGBSYHUNFRZJAJ-CQSZACIVSA-N 294.439 3.953 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(C(F)F)ccc1Cl 844564676 CIZYNACURGUTBY-SSDOTTSWSA-N 290.697 3.905 30 20 CHED C=CC[C@H]1CCC(=NNc2cccc(C(=O)O)c2C)C1 844623518 OHZXRKQZCBAPHI-LBPRGKRZSA-N 272.348 3.837 30 20 CHED C#CC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccc1 846158450 YSTXHVNWIXWTIL-YOEHRIQHSA-N 295.382 3.816 30 20 CHED Cc1noc(C)c1[C@@H](C)NCC#Cc1cccc(Cl)c1 680380762 HJPUYZOWUCLACH-LLVKDONJSA-N 288.778 3.647 30 20 CHED N#Cc1c(Cl)cccc1NC[C@H]1COc2ccccc2C1 743582001 IUMDXHUTNYBQOR-LBPRGKRZSA-N 298.773 3.875 30 20 CHED C[C@H](C(=O)OCCC1(C#N)CCCCC1)C(F)(F)F 840238151 ULUYEHHNZVHHIB-SNVBAGLBSA-N 277.286 3.592 30 20 CHED CCOc1ccc(C=Nc2cc(F)ccc2F)c(O)c1 920942714 OTUYNUGCAXJQNO-UHFFFAOYSA-N 277.270 3.820 30 20 CHED CCN(Cc1ccc(Cl)cc1C)C[C@@H](C)C#N 136165569 IVYCACSMOGDTIL-NSHDSACASA-N 250.773 3.630 30 20 CHED C#CC[C@H](NC(=O)CSc1ccccc1)c1ccccc1 757577450 IBLHWECMLIFERX-KRWDZBQOSA-N 295.407 3.660 30 20 CHED COc1cccc(/C=C2\Cc3cc(C)ccc3C2=O)c1OC 921264541 VPOFZNKXSNYZJW-XNTDXEJSSA-N 294.350 3.835 30 20 CHED C(=NO[C@@H]1CCCCO1)c1ccc2ccccc2c1 755818630 SRPZWXMTDIFBFP-MRXNPFEDSA-N 255.317 3.717 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCCCCCCSC)C1 852250942 QLBALYTVYKCUEG-HNNXBMFYSA-N 298.496 3.908 30 20 CHED Cc1cccc2[nH]c(C=NN3CCCC[C@@H]3C)cc12 853384715 MSGIVSPLUSDJLG-ZDUSSCGKSA-N 255.365 3.685 30 20 CHED Cc1ccc(F)c(NN=C2C(=O)Nc3c(C)cc(C)cc32)c1 759665044 NWBIEHXWWCEXAX-UHFFFAOYSA-N 297.333 3.519 30 20 CHED Cc1[nH]c2ccc(C(=O)OCCCCC#N)cc2c1C 757566256 BZBUNDZOGZDMSP-UHFFFAOYSA-N 270.332 3.635 30 20 CHED CCCCCCCOC(=O)/C=C\c1cncc(F)c1 759254282 BYKXUHANTMJPRN-FPLPWBNLSA-N 265.328 3.748 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)Cc2c(F)cc(F)cc21 751534014 AJTFCMNRDWRMHW-SDQBBNPISA-N 298.288 3.722 30 20 CHED C=CC(C)(C)CCOC(=O)CC1CCC(OC)CC1 851299205 CJQMJFCKBWCTPZ-UHFFFAOYSA-N 268.397 3.727 30 20 CHED C/C(=C/C(=O)N1CCC[C@H](C#N)C1)c1cccc(Cl)c1 928220761 LDTYLTKGWYLWJT-LLBKUYECSA-N 288.778 3.505 30 20 CHED COc1cc(F)cc(NN=Cc2csc(C3CC3)n2)c1 759209192 BEPJJQJMERYJHS-UHFFFAOYSA-N 291.351 3.614 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](c1cccs1)C1CC1 929703428 MHFUFCXWLOJLEX-XHDPSFHLSA-N 263.406 3.918 30 20 CHED CCCn1nccc1/C=C1/CCc2ccc(F)cc2C1=O 853007641 YALASLBEWWLVDJ-RAXLEYEMSA-N 284.334 3.645 30 20 CHED CC(CC1CCCC1)=NNc1cccc([N+](=O)[O-])c1 752719404 XIDVYFIBONMKFO-UHFFFAOYSA-N 261.325 3.963 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1cc(F)ccc1[N+](=O)[O-] 752876642 YBHAZBCHXRLVTC-QPJJXVBHSA-N 289.237 3.769 30 20 CHED COCC(=NNc1nc(-c2ccccc2)cs1)C1CC1 754258824 NVQNKPGBCHSMMI-UHFFFAOYSA-N 287.388 3.634 30 20 CHED COc1cc(F)cc(NN=C[C@@H]2CCc3ccccc32)c1 755772136 CNHYXRMDGZCDKA-ZDUSSCGKSA-N 284.334 3.962 30 20 CHED CCCCOc1ccc(C=NO[C@@H]2CCCCO2)cc1 755822752 UKPNZRGOZFFPKP-MRXNPFEDSA-N 277.364 3.743 30 20 CHED CCCCCC[C@@H](C)C(=O)N1CCC[C@@](C)(C#N)C1 753164197 OHWHQQRZKSDELB-ZBFHGGJFSA-N 264.413 3.745 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1coc(C2CC2)n1 851143153 JCWVMTIHDAECFS-SMDDNHRTSA-N 275.348 3.844 30 20 CHED CC(=NNc1cccc(Cl)c1)C1CCOCC1 755871059 DBBAVFHPHBILBJ-UHFFFAOYSA-N 252.745 3.554 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc2c(c1)CCCC(=O)N2 931898943 BXGLKDFAXMYYKQ-GFCCVEGCSA-N 286.375 3.502 30 20 CHED C(=Nn1cnc2ccccc21)[C@H]1C[C@@H]1c1ccccc1 755611847 KCKQVTCAASXSQY-HUUCEWRRSA-N 261.328 3.674 30 20 CHED COc1ccc(/C=C2/Cc3c(OC)cccc3C2=O)cc1C 759664007 HSAJUXZYJOCQRU-UVTDQMKNSA-N 294.350 3.835 30 20 CHED C#CCN(C(=O)Nc1c(C)cccc1Cl)C(C)C 930875092 VIAZKOVTGMJNDK-UHFFFAOYSA-N 264.756 3.524 30 20 CHED Cc1cc(Cl)ccc1CNCc1cc(C#N)ccc1F 766440105 SJLLINLMFBPVIP-UHFFFAOYSA-N 288.753 3.949 30 20 CHED Cc1ccc(C=NOCc2ccc(Cl)cn2)cc1 767535981 UQHKLJHTMHLQNS-UHFFFAOYSA-N 260.724 3.594 30 20 CHED CC(=NNc1ccccn1)c1cc2c(s1)CCCC2 764665821 MZYKWZAHPMSGBF-UHFFFAOYSA-N 271.389 3.858 30 20 CHED C#CCCN(C[C@H]1C[C@H]1c1ccccc1)CC(F)(F)F 768534047 YYWNFFHAVQEQDK-CABCVRRESA-N 281.321 3.678 30 20 CHED C#CCCCN(CC)Cc1cc(Br)ccc1F 766894949 HPLJNVIIEGWADZ-UHFFFAOYSA-N 298.199 3.824 30 20 CHED Cc1cc(OC(=O)[C@H](C)c2ccccc2F)ccc1C#N 765096015 UXAYLTZXLWJIRD-GFCCVEGCSA-N 283.302 3.715 30 20 CHED C=CCN(C(=O)c1cc(C)oc1C(F)(F)F)C(C)C 769845004 ACAYVDPLXLMFHE-UHFFFAOYSA-N 275.270 3.643 30 20 CHED C#C[C@H](OC(=O)C[C@@H](C)c1ccncc1)c1ccc(C)cc1 860960780 BIHACRXRGLOLIC-QAPCUYQASA-N 293.366 3.801 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1cnc(C)s1 761266556 HZIKMICTVRUSHG-UHFFFAOYSA-N 285.294 3.705 30 20 CHED CCOc1ccc2ccccc2c1C(=O)NCC(C)(C)C#N 935319968 GCXFLKWAWZPKBY-UHFFFAOYSA-N 296.370 3.518 30 20 CHED C=C(Cl)CN1CCC(CCN2CCCC[C@@H]2C)CC1 763430272 DJLPXDYQQOYYDG-HNNXBMFYSA-N 284.875 3.715 30 20 CHED CCOc1cc(NCc2ccc(C#N)c(C)c2)ccc1OC 767681417 MYOJGHKRJUJOFD-UHFFFAOYSA-N 296.370 3.886 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cncc(C)c1 767363289 YVTHMYHNBBKIFJ-UHFFFAOYSA-N 276.343 3.774 30 20 CHED O=C1C(=Cc2cnc(C3CCC3)s2)C(=O)c2ccccc21 760264172 KPEXFKPROXFGPU-UHFFFAOYSA-N 295.363 3.873 30 20 CHED C#CCCCCCc1nc(-c2ccc(COC)cc2)no1 761699223 DZQOARVPBUDWTQ-UHFFFAOYSA-N 284.359 3.619 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCSCC(F)(F)F 769549442 RPIATKSLLVANPT-OMCISZLKSA-N 297.729 3.760 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)[C@H]1CCc2c(Cl)cccc21 765631146 LEODKHFAFGBPEX-JSGCOSHPSA-N 291.778 3.851 30 20 CHED CC(=O)[C@@](C#N)(CCN(C)CC1CCCC1)c1ccccc1 878013615 BFLYDPMWUALVGP-IBGZPJMESA-N 298.430 3.549 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cn(C)cn1 872363611 JXWIPCJBSBDMKY-UHFFFAOYSA-N 270.380 3.554 30 20 CHED C[C@@H]1CCSCCN1CCCCC1(C#N)CCC1 1119764623 AWTBLYWPIYKFSF-CQSZACIVSA-N 266.454 3.678 30 20 CHED CCOc1ccccc1C=NOCCCC(C)(C)C#N 771181648 ROESCDSFQJNYNU-UHFFFAOYSA-N 274.364 3.766 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCCC(C)(C)C#N)c1 776385483 GCQCLJSFUHRYTJ-CYBMUJFWSA-N 259.349 3.582 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](C)c1cccs1 878279765 QGAURQMUWUNGBS-NSHDSACASA-N 251.395 3.870 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)c1ccc(F)cc1 779902292 OYAFYAZBMNNALA-UHFFFAOYSA-N 289.394 3.803 30 20 CHED CC(=O)[C@](C#N)(CCN1CCC[C@H](C)CC1)c1ccccc1 878002068 MCSKQEQHADLNGX-QFBILLFUSA-N 298.430 3.549 30 20 CHED CON=Cc1ccc(C(=O)O[C@H](C)c2ccccc2)cc1 770269043 OJOZRUZIRPNJDM-CYBMUJFWSA-N 283.327 3.585 30 20 CHED CCC(CC)CNN=Cc1ccccc1OC(F)F 774478929 SSGUVKLSDVLOLU-UHFFFAOYSA-N 270.323 3.648 30 20 CHED CSc1ccccc1C(C)=NNc1ccnc(F)c1 1116909588 ZYCRGQATODYBOR-UHFFFAOYSA-N 275.352 3.779 30 20 CHED N#Cc1c(Cl)nsc1N1CCc2cccc(F)c21 771245585 SGAPMDLRUKNQIA-UHFFFAOYSA-N 279.727 3.501 30 20 CHED N#C[C@@H](OC(=O)CCC(=O)c1ccccc1)C1CCCCC1 776356143 CGQZTXOEWNCKEX-QGZVFWFLSA-N 299.370 3.665 30 20 CHED C=CCSc1ccccc1C(=O)OCCCOCC 777075778 KQFHPGJSVKLFMM-UHFFFAOYSA-N 280.389 3.548 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2ccncc2s1 1120733221 JEMATBPCNAVOGJ-CYBMUJFWSA-N 286.400 3.867 30 20 CHED COc1cc(/C=C2\COc3ccc(F)cc3C2=O)ccc1C 773140515 RSIWCWBLPJIQKN-NTUHNPAUSA-N 298.313 3.801 30 20 CHED C#CCCCN[C@@H]1CCCC[C@@H]1Cc1ccccc1 775683806 ZMLMUAJMRQRMBH-QZTJIDSGSA-N 255.405 3.791 30 20 CHED Fc1ccc(/C=C/C=NN[C@@H]2C[C@H]3CC[C@H]2C3)cc1 774598229 WYZWKAMHLMDHCS-PFWRJDKESA-N 258.340 3.603 30 20 CHED C[C@@H](OC(=O)C1[C@@H]2CCCC[C@@H]12)c1cccc(C#N)c1 1127091529 WSVMWPGBLVHGFO-KCPJHIHWSA-N 269.344 3.599 30 20 CHED C#C[C@@H](C)NC(=O)c1cc2sc3ccccc3c2s1 775381508 KLXJXXKLDBPYQW-SECBINFHSA-N 285.393 3.868 30 20 CHED N#CC1(CCCCOC(=O)CC2CC(F)(F)C2)CCC1 1120416023 BAHWEHFJSVNCEF-UHFFFAOYSA-N 285.334 3.829 30 20 CHED COc1cc(Cl)ccc1N=Cc1cccc(O)c1O 773906044 NUSBKDYOPRPUFK-UHFFFAOYSA-N 277.707 3.510 30 20 CHED C=CCC[C@H](C(=O)OCC(=O)C1CCC1)c1ccccc1 778550672 DHNMDGMQCMQTMJ-INIZCTEOSA-N 286.371 3.649 30 20 CHED CCOCCON=C1CC[C@@](C)(c2ccccc2)C1 780241338 OAHMDBFNADSMPI-MRXNPFEDSA-N 261.365 3.537 30 20 CHED C#Cc1ccc(NC(=O)c2cnn(C3CCCCC3)c2)cc1 1121147246 STHMREWKPFFLOL-UHFFFAOYSA-N 293.370 3.622 30 20 CHED CCc1cc(Oc2ccc(C#N)cc2Cl)nc(C)n1 301327226 BPHMNCWHXMTVGJ-UHFFFAOYSA-N 273.723 3.665 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C 880975529 PTOALBRGCJNHFC-LLVKDONJSA-N 298.308 3.808 30 20 CHED C=CCC1(O)CCN([C@@H](C)c2ccc3c(c2)CCC3)CC1 886778530 FYUOECWTMAHOGC-HNNXBMFYSA-N 285.431 3.639 30 20 CHED CCCCCC(C)(C)CNC(=O)N1CCC(CC#N)CC1 781813137 HZCHRKYPCPZBKF-UHFFFAOYSA-N 293.455 3.928 30 20 CHED C#CCCCCCC(=O)OCc1cc(-c2ccccc2)no1 780256013 ADOYCTBIFKGLIH-UHFFFAOYSA-N 297.354 3.969 30 20 CHED COc1ccc2nc(/C=C/C(=O)c3cccnc3)sc2c1 788731939 KXESOCBQBCEACI-VOTSOKGWSA-N 296.351 3.596 30 20 CHED CN(CC(C)(C)C)c1c(Br)cccc1C#N 1559092923 CLWNHJCSEYKGFN-UHFFFAOYSA-N 281.197 3.803 30 20 CHED Cc1ccccc1[S@@](=O)CCCCC1(C#N)CCC1 899279408 XHTNUUUNURLTLL-IBGZPJMESA-N 275.417 3.967 30 20 CHED C(=NNC1CCCCC1)c1ccc(N2CCCCC2)o1 786042008 GDMYWIYAMFKOPM-UHFFFAOYSA-N 275.396 3.526 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1sccc1OC 899366472 MKKTYLDBQRQOJR-AATRIKPKSA-N 277.345 3.512 30 20 CHED C=C1CC(c2noc([C@@H]3CC34CCSCC4)n2)C1 896876758 LFDMMPRIOBGELG-NSHDSACASA-N 262.378 3.504 30 20 CHED CCc1ccc(C(C)=NNc2ccnc(F)c2)cc1 781128454 WXXXWNNCVOJNNK-UHFFFAOYSA-N 257.312 3.619 30 20 CHED COc1ccc(NN=C2C[C@H](C)c3c(C)cccc32)nc1 780271464 SBHXFADLBWJPAR-LBPRGKRZSA-N 281.359 3.722 30 20 CHED C#CC[C@@H](NC(=O)NCC(C)(C)C(C)C)c1ccccc1 782598322 GAKCJQZRYCOUCY-MRXNPFEDSA-N 286.419 3.732 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1CCN1C(C)(C)C 897669373 RYLDJSDTPPXLLR-INIZCTEOSA-N 286.419 3.617 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1cccc(OCC)c1 782410646 YCIMVEKWXLMUIJ-CQSZACIVSA-N 290.432 3.823 30 20 CHED CC(C)[C@H]1CCCN(c2snc(Cl)c2C#N)C1 780638540 IDXGOLUPSASWLD-VIFPVBQESA-N 269.801 3.541 30 20 CHED C#CCSCCNc1ccnc2cc(Cl)ccc12 218967167 NIGQNSURZUWVQH-UHFFFAOYSA-N 276.792 3.667 30 20 CHED COc1ccccc1CON=Cc1cn(C)c2ccccc12 799117821 PVYMNXOTWLLMRN-UHFFFAOYSA-N 294.354 3.738 30 20 CHED C=CCCOC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798784746 FSVDYKGCEQQSMK-SNVBAGLBSA-N 272.266 3.928 30 20 CHED CC(C)C[C@H](C)C=Nn1c(S)nnc1-c1ccccc1 799105784 KIDJILRTGHUDPE-LBPRGKRZSA-N 288.420 3.750 30 20 CHED C[C@H](C=NNc1cccc(F)c1[N+](=O)[O-])c1ccccc1 790310716 MCVAJACXYOVXQT-LLVKDONJSA-N 287.294 3.935 30 20 CHED COCCC1(C=NNc2cccc(F)n2)CCCCC1 795007114 ZHAPJFIHXFVHGK-UHFFFAOYSA-N 279.359 3.605 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCC12CCOCC2 799883635 KKKHJMZASDXDTI-UHFFFAOYSA-N 295.386 3.902 30 20 CHED C=CCC(C)(C)C(=O)OC[C@H]1CCC2(CCCC2)O1 796455720 TVVAYMIZSGRIJU-CYBMUJFWSA-N 266.381 3.624 30 20 CHED CC[C@@H](C)NN=C1CCC[C@@H](c2ncccc2C)C1 799113519 HUGGMKZCGOSNHG-ZIAGYGMSSA-N 259.397 3.792 30 20 CHED CCc1ccc(NCc2ccc(C#N)c(F)c2)cc1 190328938 DIWDRVGKBCSZDL-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H](C)c1ccc(C)cc1C)C(C)C 798555402 DVBABKOTCAXYHG-WBVHZDCISA-N 286.419 3.664 30 20 CHED CC[C@@H](NN=C1CCCC[C@H](c2ccccc2)C1)C(=O)O 793058629 XHLHDYWOAFWDNR-GOEBONIOSA-N 288.391 3.543 30 20 CHED Cc1c(C(=O)OCC(F)F)sc2ccc(C#N)cc12 796612393 YDCUHCHKJZYYIU-UHFFFAOYSA-N 281.283 3.503 30 20 CHED COc1ccc(NN=C(C)c2coc(C(C)C)n2)cc1 799482146 JFFGDGKFBQYDEL-UHFFFAOYSA-N 273.336 3.643 30 20 CHED CC(=NNc1cc(C)ncn1)c1cccc(CC(C)C)c1 794912656 JHCATPQHZUTEIX-UHFFFAOYSA-N 282.391 3.820 30 20 CHED Cc1c(C(=O)O[C@H](C)C(F)F)sc2ccc(C#N)cc12 797142118 MYGGAGGAHZLZDU-MRVPVSSYSA-N 295.310 3.892 30 20 CHED C=C(C)COC(=O)/C=C\c1ccc2cc(OC)ccc2c1 791460244 JDQMWAKUQKDBOW-UITAMQMPSA-N 282.339 3.981 30 20 CHED N#CCCCSCc1c(F)c(F)c(F)c(F)c1F 790553810 XSQQYHMOYLZJHB-UHFFFAOYSA-N 281.249 3.919 30 20 CHED CC(=NNc1cccc(Cl)n1)c1c(C)cc(C)cc1O 793161047 HTXIJRXDCTXSQN-UHFFFAOYSA-N 289.766 3.894 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 795992175 VXTIADLORJJXHJ-LVQVYYBASA-N 276.424 3.647 30 20 CHED CCCCCCCCCN(C)Cc1ccnn1C 768989811 BRETYVWEKVWKPU-UHFFFAOYSA-N 251.418 3.603 30 20 CHED N#Cc1sc(N2CC[C@@H]2c2ccc(F)cc2)nc1Cl 1186973799 PTVKSNXWSBSWFC-SNVBAGLBSA-N 293.754 3.759 30 20 CHED N#Cc1ccc(N[C@@H]2CCOC3(CCC3)C2)cc1Cl 94367254 KNKDIQNGMMQEGQ-CYBMUJFWSA-N 276.767 3.725 30 20 CHED N#Cc1ccc(N[C@H]2CCOC3(CCCCC3)C2)cc1 94366321 WYDYXZTYXBORNV-INIZCTEOSA-N 270.376 3.852 30 20 CHED CN(CCOc1ccccc1C#N)CCC1CCCCC1 1307446897 XMDJGDCQRRJYAB-UHFFFAOYSA-N 286.419 3.839 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc([S@@](C)=O)cc1 1319077838 LLLVXDSSBPKRSK-VBKZILBWSA-N 294.464 3.706 30 20 CHED Cc1cc(C)c(COC(=O)c2ccc(C#N)c(C)n2)c(C)c1 1318227932 BGNMHBKOMHTVSI-UHFFFAOYSA-N 294.354 3.544 30 20 CHED CCCCCCCOC(=O)c1cn2c(C)cccc2n1 1319582361 RUWGROMKEZBRLE-UHFFFAOYSA-N 274.364 3.770 30 20 CHED N#Cc1cc(F)cc(NCc2cc3ccccc3[nH]2)c1 1179353082 MWBFUHIGKMGHNQ-UHFFFAOYSA-N 265.291 3.791 30 20 CHED C#CCOc1cccc(-c2noc(-c3occ(C)c3C)n2)c1 1327268918 PWFBOSSOSRPLJQ-UHFFFAOYSA-N 294.310 3.625 30 20 CHED C[C@H](OC(=O)CCNc1ccccc1)c1cccc(C#N)c1 1320894283 PXMSUNRRSXQBNP-AWEZNQCLSA-N 294.354 3.665 30 20 CHED CC(C)CCSCc1nnc(-c2cccc(C#N)c2)o1 1326305533 IZPUXCBIXCOYFR-UHFFFAOYSA-N 287.388 3.888 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NNCC2CCOCC2)C1 1320494802 VYXPRWIRCOVEOT-GOSISDBHSA-N 286.419 3.500 30 20 CHED C=CC1CCN(Cc2ccc(Cl)nc2Cl)CC1 801517053 JTOOGRBXQFSMMJ-UHFFFAOYSA-N 271.191 3.786 30 20 CHED C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 1335942505 ZYEYAXXNHJBEOH-TWMKSMIVSA-N 293.451 3.521 30 20 CHED CCc1nc(C#N)cc(NC[C@H](c2ccccc2)C2CC2)n1 1186572609 ZLUXEEGTBLSKJN-MRXNPFEDSA-N 292.386 3.516 30 20 CHED CCCCCCCCc1nnc(C2CCOCC2)o1 1255638537 UXZCBLCACKRUNF-UHFFFAOYSA-N 266.385 3.867 30 20 CHED Cc1cccc(N(C)CCc2ccc(C#N)cc2)c1C 1190447615 VRYHXFOBYHARPF-UHFFFAOYSA-N 264.372 3.854 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)/C=C/c1ccc(Cl)s1 1339185213 PKQQZFPJWGOWFV-PCGIRMHASA-N 282.796 3.565 30 20 CHED CC1(C)Cc2cccc(C(=O)Nc3cccc(C#N)c3)c2O1 1264121606 RMOGOGUGIMKIIF-UHFFFAOYSA-N 292.338 3.524 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1Nc1cccc(CC#N)n1 1345067316 NZOOMRNNXSGNKB-UONOGXRCSA-N 257.381 3.774 30 20 CHED CCc1cccc(OC(=O)C2(c3cccc(C#N)c3)CC2)c1 1340547241 BQIYADFLICSTGD-UHFFFAOYSA-N 291.350 3.758 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 1346895187 KRUXKUXFCXOILQ-ZIAGYGMSSA-N 293.432 3.519 30 20 CHED CCC[C@H](C)C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1346150512 KRMXJRXGBJPUQC-VHSXEESVSA-N 289.766 3.829 30 20 CHED C[C@H](C(=O)N(C)c1cccc(C#N)c1)c1ccc(Cl)cc1 1351390693 LPVNZKWDOCSAPP-LBPRGKRZSA-N 298.773 3.978 30 20 CHED CC(C)c1nc(C(=O)O[C@@H](CC#N)c2ccco2)cs1 1350311248 JASFQALNLQPTCN-LBPRGKRZSA-N 290.344 3.671 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CCC[C@H](C)C1 1351264050 OVXLQNVNGKZGIN-SMDDNHRTSA-N 257.333 3.602 30 20 CHED N#Cc1cc(NC(=O)CCCc2cccnc2)ccc1Cl 1354057970 MHGCDGMFJFSXCA-UHFFFAOYSA-N 299.761 3.568 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2sccc2C2CC2)c1 1287801824 BGAIOZPWUXMWCB-UHFFFAOYSA-N 286.331 3.889 30 20 CHED C=C(Cl)CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C 1459778965 ULRMOZOWJLHIKX-GHMZBOCLSA-N 253.748 3.886 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1Cl)C1CCCC1 1458379959 BIUNYZPBBSILMJ-ZDUSSCGKSA-N 263.772 3.987 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1528806841 ZQSPCHWAIYZPFZ-MRXNPFEDSA-N 282.318 3.578 30 20 CHED N#Cc1cc(C(=O)Nc2nc(-c3ccccc3)co2)cs1 1525608395 RSIXVPWXBAADQB-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCCC[C@H](CC)CC(=O)NCCc1ccc(C#N)cc1 1528527163 HHZABPAVHQZLGR-HNNXBMFYSA-N 286.419 3.823 30 20 CHED COc1ccc([C@H](C)OC(=O)c2ccc(C#N)cc2F)cc1 1527924861 RFLMASPHIXEIAA-NSHDSACASA-N 299.301 3.624 30 20 CHED CSCC1CCN(Cc2ccc(Cl)cc2C#N)CC1 1460883271 PXQNKMBTVBELHE-UHFFFAOYSA-N 294.851 3.787 30 20 CHED CCCC[C@@H](SCc1cc(F)ccc1C#N)C(=O)O 1609968262 VEBIAIAUIZIZJT-CYBMUJFWSA-N 281.352 3.574 30 20 CHED CCc1ccc(CCN2CCc3c(C#N)cccc32)cc1 1460283780 JSGAVGOLNRPFRG-UHFFFAOYSA-N 276.383 3.726 30 20 CHED O=C(/C=C/c1ccoc1C(=O)O)c1ccc(F)c(Cl)c1 1601244185 PUPNTZJSYPUGHT-DUXPYHPUSA-N 294.665 3.666 30 20 CHED COc1ccccc1[C@@H](C)Sc1ncc(C#N)cc1F 1472706276 PIUITBJEZLOEKC-SNVBAGLBSA-N 288.347 3.954 30 20 CHED COC(=O)[C@H]1CCCC[C@@H]1CSc1ccccc1C#N 1559374190 ZKLWZSISGUJCMH-KGLIPLIRSA-N 289.400 3.630 30 20 CHED CC(C)CCN(CCC#N)c1cc(C2CC2)nc(C2CC2)n1 1639678842 QQPVMALCDINZBX-UHFFFAOYSA-N 298.434 3.998 30 20 CHED C=C(C)CNCc1cc(Cl)cc(Cl)c1OC 119650328 NFHKZUXMZZXEKA-UHFFFAOYSA-N 260.164 3.668 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 120226557 XCVXPKKTUNEWOH-QKPAOTATSA-N 276.424 3.601 30 20 CHED Cc1ccc(CCNc2ccc(CC#N)cc2)cc1 1652146770 XDPAVQHGEQTCCY-UHFFFAOYSA-N 250.345 3.716 30 20 CHED CC(=NNc1cccc(F)c1C(=O)O)c1sccc1C 1589017590 VVTUAHMXOFFGQJ-UHFFFAOYSA-N 292.335 3.730 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@@H](F)CC2CCCCC2)c1 1583534557 QVIMZJNHRJCNQY-AWEZNQCLSA-N 292.329 3.944 30 20 CHED CCC[C@H](NCCc1ccc(C#N)cc1)C(C)(C)C 1658685668 NZMFBIXKKDZNQQ-INIZCTEOSA-N 258.409 3.905 30 20 CHED C=C(C)[C@@H](N[C@H](CC(C)C)C(=O)O)c1ccc(F)c(F)c1 1588534763 IRVFKZZKWLMELP-HUUCEWRRSA-N 297.345 3.671 30 20 CHED CCCCCCCCN[C@]1(C)CCCC[C@@H]1C(=O)O 1595704800 YRQUUUAAKWRFEL-GDBMZVCRSA-N 269.429 3.970 30 20 CHED C[C@@H](NC(=O)Nc1sccc1C#N)[C@H]1C[C@H]2CC[C@H]1C2 1673279312 SBSFEGISIALXNT-MPPDQPJWSA-N 289.404 3.566 30 20 CHED Cc1ccc2cc(C=NNc3ccccc3C(=O)O)[nH]c2c1 1776031163 QHRXMOGSSVHIIJ-UHFFFAOYSA-N 293.326 3.621 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/C=C\c2ccccc2)c1 1777684986 ZGCZWVKSWPEYDB-AGGGZFENSA-N 278.307 3.837 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(OC)c(C)c2)c1 11288125 YWRTUKZUNPJOBU-VQHVLOKHSA-N 282.339 3.908 30 20 CHED C=CCOc1ccc(C(=O)N(C)c2ccccc2F)cc1 161878637 FFGILKBNQMHXBM-UHFFFAOYSA-N 285.318 3.667 30 20 CHED N#CCc1ccccc1C(=O)OC/C=C/c1ccccc1 5247068 UMMFVKFIIAVBCR-RMKNXTFCSA-N 277.323 3.623 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cccc(OC(F)F)c1 163325347 KNJNSRAIJKTJRM-WDEREUQCSA-N 255.308 3.903 30 20 CHED C[C@H]1OCC[C@@H]1SCc1ccccc1C(C)(C)C#N 163877559 COSCLVDJOLNCJG-DOMZBBRYSA-N 275.417 3.898 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCc3sccc32)CC1 153017603 HRLJJSYSMVJDPG-INIZCTEOSA-N 290.476 3.756 30 20 CHED N#CCC[C@H](NC(=O)Cc1ccccc1F)c1ccccc1 153455943 WXYDCXJMQLKLAW-KRWDZBQOSA-N 296.345 3.529 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(C(C)C)c1 155589653 BENPTCKUWNAMCS-ZDUSSCGKSA-N 259.353 3.624 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(C)c(C(F)(F)F)c1 155632437 QRYMGHQEBIALGV-JTQLQIEISA-N 299.296 3.828 30 20 CHED C[C@@H](c1cccs1)N(C)CC#Cc1ccc(F)cc1 156196229 AOLPUPJHQQVFGI-ZDUSSCGKSA-N 273.376 3.932 30 20 CHED CC#CCN[C@H](c1ccccc1OC(F)F)C(F)(F)F 156209843 KLXKDKYYEBPYAE-LLVKDONJSA-N 293.235 3.504 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 156463555 GMFBHGGOURVYFM-KRWDZBQOSA-N 298.361 3.790 30 20 CHED C=CCC[C@@H](Nc1nccc(C)n1)c1ccccc1 154586486 IEZZMMUZJKOTLH-OAHLLOKOSA-N 253.349 3.904 30 20 CHED CN(C)c1ccc(OCc2ccc(C#N)cc2Cl)cc1 810001766 LBXMTPUWNQPRGT-UHFFFAOYSA-N 286.762 3.857 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)cc1OC 875572648 LJHSYVFMRSALFE-UHFFFAOYSA-N 280.755 3.617 30 20 CHED C#Cc1cccc(NC(=O)C[C@H](C)c2ccccc2)c1 25613977 REPNCTWJEIZPEQ-AWEZNQCLSA-N 263.340 3.800 30 20 CHED CN(C(=O)Nc1ccc(C#N)cc1)C1CCCCCC1 45029411 METLTNFEEVRMSR-UHFFFAOYSA-N 271.364 3.745 30 20 CHED CCOCCCCNc1cccc(Br)c1C#N 290562823 SEIFFMLQESRCBB-UHFFFAOYSA-N 297.196 3.549 30 20 CHED C#CCCCCN[C@@H](c1ccccc1)c1ccccn1 180941015 WJGGPMCOABIZMP-SFHVURJKSA-N 264.372 3.564 30 20 CHED C=CCCC(C)(C)NCc1ccc(-n2ccnc2)cc1 657805878 VMAGGQMYOLATLX-UHFFFAOYSA-N 269.392 3.707 30 20 CHED CCc1nc(C#N)cc(Sc2ccc3c(c2)CCC3)n1 308275108 ATLCESWKHBQPBO-UHFFFAOYSA-N 281.384 3.551 30 20 CHED C=CCCCN(C)[C@@H]1CCCN(Cc2ccccc2)C1 531101522 OZEQNROAZMQHIX-GOSISDBHSA-N 272.436 3.549 30 20 CHED CC1(C)CCC[C@@H](C(=O)N2CCC(CCC#N)CC2)C1 335502287 YIPDMMWOQSGRGY-OAHLLOKOSA-N 276.424 3.745 30 20 CHED CC(C)(C#N)CNc1ccc(C(F)(F)F)cc1C#N 359065820 HVCTUSNRLKNACL-UHFFFAOYSA-N 267.254 3.539 30 20 CHED CC1(C)CCC[C@H]1CNCc1ccc(C#N)cc1F 388796227 YKVDJJIGBQRNRG-AWEZNQCLSA-N 260.356 3.613 30 20 CHED CN(c1ccc(C#N)cn1)C1CC(C)(C)CC(C)(C)C1 693085804 ZOIQKXJLLRWSDR-UHFFFAOYSA-N 271.408 3.994 30 20 CHED C=CCCCCCCNCc1ccc(OC)c(O)c1 389135704 QUIJWUOCFRKKAA-UHFFFAOYSA-N 263.381 3.627 30 20 CHED COc1ccc(Cl)cc1C=NOCc1ccccc1 917546355 VJCSXLNKZLIHBQ-UHFFFAOYSA-N 275.735 3.899 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNCc2ccccc2)o1 732764412 FFETYGWSDGIVSO-SWLSCSKDSA-N 254.333 3.527 30 20 CHED C=CCN(C(=O)c1cc(Br)cs1)C(C)C 921279099 OCFLJKZEPPYTDV-UHFFFAOYSA-N 288.210 3.547 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc2c(c1)CCCN2C 926066782 QTPIOSNQSQXXBO-ZDUSSCGKSA-N 271.408 3.809 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 50355293 XKKVCIHHMHHWJT-JTQLQIEISA-N 287.265 3.754 30 20 CHED CCCCCCCCCC(=O)N[C@@](C)(C#N)CC 111325382 HTSYLWWIRAFHKJ-OAHLLOKOSA-N 252.402 3.936 30 20 CHED CCCCCCCCNC(=O)c1cc(O)cs1 100313184 NINBTXFBCSXIQT-UHFFFAOYSA-N 255.383 3.544 30 20 CHED C#CCCOC(=O)c1ccc(-c2ccccc2)cc1 59892938 SCCDHBSGMYXCOZ-UHFFFAOYSA-N 250.297 3.534 30 20 CHED CSc1ccc(CN(CC#N)C2CCCC2)cc1 172572250 SQLLGLRBFZISOX-UHFFFAOYSA-N 260.406 3.677 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(C)cc1 119704169 PKVIZNOFRYBYKU-KBPBESRZSA-N 262.349 3.580 30 20 CHED Cc1csc([C@H](C#N)C(=O)CC2=CCCCC2)n1 106982283 ONJLKRPBXOSWTH-GFCCVEGCSA-N 260.362 3.518 30 20 CHED C=CCCCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 177810806 PPYFTXFZUHUMAR-UHFFFAOYSA-N 295.386 3.656 30 20 CHED C#CCCCOC(=O)/C=C/c1ccccc1O[C@@H](C)CC 303298434 POICCWHFTKIQIV-LHNRBYRGSA-N 286.371 3.834 30 20 CHED Cc1cc(C[S@](=O)Cc2ccc(C#N)cc2)c(C)s1 178018475 YYIFEHIBTYTTTF-LJQANCHMSA-N 289.425 3.686 30 20 CHED CCc1ccc(N2CCN(CCCC(C)(C)C#N)CC2)cc1 174880397 MJYWQZUTWQOUQD-UHFFFAOYSA-N 299.462 3.701 30 20 CHED N#Cc1cccc(Cl)c1N1CCOC2(CCCCC2)C1 301423844 CWNACUHQGKIMAP-UHFFFAOYSA-N 290.794 3.751 30 20 CHED C=C(Br)CSc1ncnc2ccccc12 306670436 LWDLPANXKFVSKH-UHFFFAOYSA-N 281.178 3.631 30 20 CHED C=CC1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 119266892 CBWJRGSCVNTHEM-UHFFFAOYSA-N 284.281 3.534 30 20 CHED N#Cc1ccc(N2CCc3c(F)ccc(F)c3C2)c(F)c1 301560973 KFZIXMFLFPXJFQ-UHFFFAOYSA-N 288.272 3.538 30 20 CHED CCc1ccc([C@@H](C)C(=O)NCc2cccc(C#N)c2)cc1 67970147 KKRWCSOAMJOXQV-CQSZACIVSA-N 292.382 3.541 30 20 CHED C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccccc1 79379989 APKNZWQGEPDPEB-ZDUSSCGKSA-N 296.395 3.793 30 20 CHED C=CCNc1nc(-c2ccc(OC)cc2OC)c(C)s1 69055537 KHIGSEBEDQKTII-UHFFFAOYSA-N 290.388 3.734 30 20 CHED Cc1ccc(Cl)cc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 129507955 PZIBJCVWFGVPSI-MEDUHNTESA-N 290.794 3.851 30 20 CHED C=CCN(CC=C)C(=O)c1nc(-c2ccccc2)cs1 78817957 ZVXOIPJVONTDOS-UHFFFAOYSA-N 284.384 3.624 30 20 CHED Cc1ccc(CN(c2ncccc2C#N)C2CC2)cc1C 301353050 MASDKXRZGYZWPD-UHFFFAOYSA-N 277.371 3.739 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 301416332 AZQGGNSQWSWJBL-SJCJKPOMSA-N 293.326 3.664 30 20 CHED Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)nc1 184308048 CJIZLNRTZNPFRC-HNNXBMFYSA-N 294.358 3.557 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1cccc(O)c1 33476766 TZPOOAJONJSEOK-TWGQIWQCSA-N 290.265 3.890 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCN(c2cccs2)CC1 187703236 FOEPSHNGKNLTLN-CQSZACIVSA-N 297.427 3.503 30 20 CHED N#CCc1ccc(NCc2ccccc2OC(F)F)cc1 37071358 VTPKTFFGGAXSKI-UHFFFAOYSA-N 288.297 3.966 30 20 CHED COC[C@H](C#N)N[C@@H](CC1CCCCC1)c1ccccc1 181331496 CECWMRRUJJJRRF-ROUUACIJSA-N 286.419 3.826 30 20 CHED CN(C(=O)c1coc2ccccc12)c1ccccc1C#N 128657952 MNYOLJBHJATVKJ-UHFFFAOYSA-N 276.295 3.581 30 20 CHED CC[C@H]1[C@@H](C)CCN1Cc1cccc(OCCCC#N)c1 187579586 IQVATVMLNIIFRD-YJBOKZPZSA-N 286.419 3.990 30 20 CHED C=C(C)CCc1noc(Cc2ccc(O)cc2Cl)n1 508668164 WWABCLFWSGUZPD-UHFFFAOYSA-N 278.739 3.528 30 20 CHED CCN(Cc1cscc1C(F)(F)F)C[C@@H](C)C#N 356084855 LTRMLJFBQLWYDT-VIFPVBQESA-N 276.327 3.748 30 20 CHED Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1cccc(C#N)c1 182060656 ZQHFRASHFPXEDT-NEPJUHHUSA-N 283.375 3.617 30 20 CHED N#Cc1ccc(C2=CCN(Cc3ccccc3F)CC2)cc1 502516280 MXHJIRFOYCAQCO-UHFFFAOYSA-N 292.357 3.987 30 20 CHED C=C(C)CN(C)CC(=O)N[C@H](C)c1cccc2ccccc12 181298951 VVUPHTGPNHLHQU-OAHLLOKOSA-N 296.414 3.525 30 20 CHED Cc1nc(C#N)cc(-c2ccc(Cl)c(Cl)c2)n1 259369795 QSDSNBAIJTULBZ-UHFFFAOYSA-N 264.115 3.631 30 20 CHED C=CC[C@H](C(=O)Nc1ccccc1)c1ccccc1 189368982 RAJBQEVEVDWBQG-INIZCTEOSA-N 251.329 3.985 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 185688920 FKSHRBDRFYZOIK-RHSMWYFYSA-N 287.378 3.929 30 20 CHED CC(C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 127988012 NSKVXHDGTIOWSO-CYBMUJFWSA-N 287.363 3.729 30 20 CHED CC1(C)CCCN(CCCOCc2ccccc2)[C@@H]1C#N 444728501 LANKHONXWKDCIQ-QGZVFWFLSA-N 286.419 3.607 30 20 CHED CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 72500876 XFOUKDSGPSTSCC-MFKMUULPSA-N 291.782 3.864 30 20 CHED C=CCCC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 189214528 WSWATRFDICLZKU-MRXNPFEDSA-N 257.377 3.880 30 20 CHED C[C@H](NC[C@@H]1CCc2ccccc21)c1cccc(C#N)c1 181734630 JYCPVYHASAXHHW-KSSFIOAISA-N 276.383 3.939 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](CC)CC#N)c1ccccc1 187613280 XCMPBXQPNJLORA-HOTGVXAUSA-N 270.376 3.545 30 20 CHED CCN(CCC#N)[C@H](Cc1ccc(F)cc1)C(C)C 76071654 TYRNXDKZRNYBAC-MRXNPFEDSA-N 262.372 3.628 30 20 CHED COc1ccc(C[C@@H]2CCCN([C@H](C)CCC#N)C2)cc1 411305250 DYQQWMIQQFOIRR-WBVHZDCISA-N 286.419 3.642 30 20 CHED CN(CC1(C#N)CC1)[C@H]1CCCC[C@H]1c1ccccc1 412004005 BSHWEIGZSJIEOG-IRXDYDNUSA-N 268.404 3.948 30 20 CHED CC#CCCCC(=O)NCCc1c(Cl)cccc1Cl 185252285 WJVCSGHQMCFWKD-UHFFFAOYSA-N 298.213 3.846 30 20 CHED Cc1oc2ccccc2c1CNC(=O)c1ccc(C#N)cc1 184044349 DFRUJYULJFETCC-UHFFFAOYSA-N 290.322 3.543 30 20 CHED COc1ccc2oc([C@@H](C)NCCCC#N)c(C)c2c1 184087554 CRZWNRJQWGYHKB-GFCCVEGCSA-N 272.348 3.704 30 20 CHED CC(C)N(C)c1ccccc1CNc1ncc(C#N)cc1F 413243451 IVCYIVCWDVLPEG-UHFFFAOYSA-N 298.365 3.549 30 20 CHED COC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CCCC1 417355663 BAULTBICIGKLCG-MOPGFXCFSA-N 298.430 3.730 30 20 CHED CCCCC[C@H](C)C/C(O)=N/S(=O)(=O)CC(C)C 76910385 RVQYFPQZYWFXCI-LBPRGKRZSA-N 277.430 3.535 30 20 CHED COCC[C@@H](N[C@H](C)c1cccc(C#N)c1)C(C)(C)C 508996723 OLFXTXUXBVCSFF-CZUORRHYSA-N 274.408 3.660 30 20 CHED Fc1ccc(C#CCOc2c(F)cccc2F)cc1 135270490 MMAADDGKNNXLLT-UHFFFAOYSA-N 262.230 3.534 30 20 CHED CC(C)OC(=O)c1ccc(OCCC(C)(C)C#N)cc1 410307320 FISXFZFGYWNRDU-UHFFFAOYSA-N 275.348 3.570 30 20 CHED N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 41546315 ULQYAZPJHYXXIB-LBPRGKRZSA-N 296.713 3.971 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C1CC(C)(C)C1 506789570 HUESVVJKEDFUGM-UHFFFAOYSA-N 286.375 3.720 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(Cl)cc(Cl)c2N)C1 602608381 MSGVQVFOQGQQLT-CQSZACIVSA-N 298.217 3.701 30 20 CHED N#C[C@@H]1CCC[C@H]1/N=C(/O)N1CCCC2(CCCCC2)C1 329738403 MUBIMQDOIAIGGY-LSDHHAIUSA-N 289.423 3.639 30 20 CHED C[C@H]1CCCN(c2ccc(C#N)c(Br)c2)[C@@H]1C 228185112 KYXMYDKVBVYASA-WDEREUQCSA-N 293.208 3.946 30 20 CHED C=C(C)CN(CC)Cc1ccccc1C(C)(C)C#N 135096623 MCCHIBGSOVFIJA-UHFFFAOYSA-N 256.393 3.886 30 20 CHED Cc1cc(C)c(N=C(O)[C@@H]2CCC(=O)[C@@H](C)C2)c(C)n1 328922008 UEZAISKCRVCAPY-TVQRCGJNSA-N 274.364 3.600 30 20 CHED N#Cc1ccc(F)c(CN(C2CCCCC2)C2CC2)c1 47904137 PTVKIBVLGGATEX-UHFFFAOYSA-N 272.367 3.994 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/[C@@H]1CC[C@H](C)[C@H](C)C1 329497421 GHYQJKMPPFRYMZ-OPQQBVKSSA-N 276.380 3.990 30 20 CHED CCCCCCCCCS(=O)(=O)Cc1cc(C)no1 190888837 IHVRLCPNVJLYLY-UHFFFAOYSA-N 287.425 3.648 30 20 CHED Cc1cccc2cc(C(=O)NCC#Cc3ccccc3)oc12 139820026 LTGUFBRIKGRPLC-UHFFFAOYSA-N 289.334 3.523 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 48402759 BTAGBLOAXWYSRG-MDWZMJQESA-N 289.425 3.772 30 20 CHED C=C[C@H](CC(=O)N(CC)CC1CC1)c1ccccc1 134368965 AWVWABSIATVJGV-OAHLLOKOSA-N 257.377 3.605 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCCC2(O)CCC2)c1 420627761 DOHSADVJOVDEJF-UHFFFAOYSA-N 298.308 3.684 30 20 CHED O/C(=N/[C@@H]1C[C@@H]1C1CCCCC1)c1c[nH]c2ncccc12 329648254 FBQYKQSNDPJYOP-UKRRQHHQSA-N 283.375 3.836 30 20 CHED C#CCCCC(=O)N(c1ccccc1)C1CCCC1 192292443 AZEYJACGSBUAJT-UHFFFAOYSA-N 255.361 3.766 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccccc1C(F)F 425650542 SWMBHGQNCGIWLO-OAHLLOKOSA-N 283.318 3.792 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccncc2)c2cccs2)C1 424316171 AQYIBVKZBSQYBO-PMPSAXMXSA-N 297.427 3.709 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 137132451 KJZLZUBKCXOVMD-YOEHRIQHSA-N 299.418 3.668 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCC(=O)c1ccc(C)cc1 428051249 VKXQYZYYUKPUDR-INIZCTEOSA-N 285.387 3.525 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 424204983 VXTMWTOGNKFPMK-GXSJLCMTSA-N 286.272 3.626 30 20 CHED C#CCCCC(=O)Nc1cccc(N2CCCCCC2)c1 192134516 KVCFFJVQCMCTGH-UHFFFAOYSA-N 284.403 3.809 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2C(=O)NCCC#N)cc1 426455961 CEEGCFFIMMYYQZ-INIZCTEOSA-N 285.391 3.570 30 20 CHED O=C(/C=C/c1cccc2c1OCO2)c1cc(F)cc(F)c1 88305131 SFOQYGUPHNOSSX-SNAWJCMRSA-N 288.249 3.590 30 20 CHED CCC[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 337192900 UFGJESQUTJMXDX-INIZCTEOSA-N 278.440 3.599 30 20 CHED C[C@H](CC#N)NC(=O)C1(c2cccc(Cl)c2)CCCC1 194711066 SHYNYMOJHMIZQF-GFCCVEGCSA-N 290.794 3.570 30 20 CHED Cc1cccc(C)c1NC(=O)[C@H](C)c1cccc(C#N)c1 336401511 WJZSRIZPBSJZDH-CQSZACIVSA-N 278.355 3.917 30 20 CHED C#CCCCC(=O)N1CCC(CCc2ccc(C)cc2)CC1 192058620 PSMODVNQLOTBAH-UHFFFAOYSA-N 297.442 3.970 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OCC)c(Cl)c1 510477675 KRQWUEIIWUKTLS-UHFFFAOYSA-N 294.782 3.945 30 20 CHED CCc1ccccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425132004 QMMZWXNYRSLZOF-AWEZNQCLSA-N 292.382 3.954 30 20 CHED CC1(C)CCC[C@H](C(=O)N(CCC#N)Cc2ccccn2)C1 330442205 DZEUADPZAGPVRT-HNNXBMFYSA-N 299.418 3.540 30 20 CHED N#CC1(CCOc2cccc(-n3ccnn3)c2)CCCCC1 518346579 VBIAWPUVJPIEJF-UHFFFAOYSA-N 296.374 3.510 30 20 CHED CCSCc1ccnc(NCc2ccc(C#N)cc2)c1 90228777 YVUZULANDVVJSN-UHFFFAOYSA-N 283.400 3.818 30 20 CHED N#Cc1ccc(SCc2ccc(F)cn2)c(F)c1 335760026 GTZYDLYOHFPQMC-UHFFFAOYSA-N 262.284 3.524 30 20 CHED Cc1c(C#N)cccc1C(=O)N(Cc1ccccc1)C1CC1 337902931 RTWCEIQCXPTLDC-UHFFFAOYSA-N 290.366 3.672 30 20 CHED Cc1cc([N+](=O)[O-])cnc1Nc1ccc(C(C)(C)C#N)cc1 92606041 PCLNSFKSKCZTKI-UHFFFAOYSA-N 296.330 3.843 30 20 CHED Cc1ccccc1C1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCCC1 424968374 WBEBRFXUWPUVCF-JKSUJKDBSA-N 296.414 3.615 30 20 CHED CC(C)[C@@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 420582645 HUSWGVFXEGICQF-OAHLLOKOSA-N 286.766 3.811 30 20 CHED CC1=C(/C(O)=N/Cc2nc3ccccc3[nH]2)CCC1 330335602 ZBGXUEKHTAGFQU-UHFFFAOYSA-N 255.321 3.520 30 20 CHED CCN(Cc1ccc(-c2ccccc2)o1)C[C@H](C)C#N 91982239 KEKVODRWGHVFBR-CQSZACIVSA-N 268.360 3.928 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@H](C(C)(C)C)C1 337926595 NHMHTLPYUSOZAH-AWEZNQCLSA-N 288.439 3.604 30 20 CHED COc1ccc([N+](=O)[O-])c(OCCCCC(C)(C)C#N)c1 234881476 YDSMGQPVXJEHCC-UHFFFAOYSA-N 292.335 3.702 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@H]1c1ccccn1 530723534 GZZGYVUONHUCGA-OAHLLOKOSA-N 257.381 3.548 30 20 CHED C=CC[C@@H](CC)Nc1cncc(-c2cccs2)n1 338714647 UVAKHWOAJBRRPT-LLVKDONJSA-N 259.378 3.972 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/C[C@H]2CC=CCC2)s1 330907190 FCYMARROVIOKKM-NEPJUHHUSA-N 294.420 3.902 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(Cl)c(Cl)c1 334250238 ZYUPZLGKPULLHA-UHFFFAOYSA-N 285.174 3.615 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ncsc1C(C)C 335994218 GOPAMKVSLKOTRD-NSHDSACASA-N 279.409 3.839 30 20 CHED C[C@@H](Cc1ccc(Br)cc1)NCC(C)(C)C#N 235136275 UQAYSIDKKFSRTG-NSHDSACASA-N 295.224 3.519 30 20 CHED Cc1nc(C)c(C#N)c(SCc2sccc2Cl)n1 339113773 GKLWBGGRVOACAP-UHFFFAOYSA-N 295.820 3.972 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1snc(Cl)c1C#N 92657858 LINZQZUUCVLNRC-KKZNHRDASA-N 281.812 3.826 30 20 CHED C[C@H]1C[C@@H](C)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1 438063615 QPSSYXUMUJIZFI-QWHCGFSZSA-N 297.320 3.667 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(F)c1SC 436073490 IKNJVILBGVUQHA-UHFFFAOYSA-N 267.369 3.586 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NC1CC(F)(F)C1 336115232 DAUQYGXQKJMBOQ-UHFFFAOYSA-N 295.239 3.594 30 20 CHED C[C@H](NC(=O)C1(C(F)F)CCCC1)c1ccc(C#N)cc1 520876922 ZSBGPIUJHSAVSM-NSHDSACASA-N 292.329 3.561 30 20 CHED N#Cc1ccccc1SCc1nccn1CC(F)(F)F 439714849 CHFFDOKEVUGOBG-UHFFFAOYSA-N 297.305 3.609 30 20 CHED Cc1ccc(F)c(NC(=O)c2cc(C#N)ccc2Cl)c1 334238392 STNJBKXUXCGOCQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(C)CCc1noc([C@H]2Cc3c(Cl)cccc32)n1 528193518 REWDOQMOJXFHGK-LBPRGKRZSA-N 274.751 3.920 30 20 CHED CC[C@H](NCC(C)(C)CCC#N)c1cccc([N+](=O)[O-])c1 348201856 XPUNSJJEIIQEKQ-HNNXBMFYSA-N 289.379 3.965 30 20 CHED N#Cc1cccc(Sc2nc(C(F)(F)F)ns2)c1 342549000 NHBVDMDYWJAASK-UHFFFAOYSA-N 287.291 3.580 30 20 CHED C=CCC(C)(C)C(=O)Nc1scnc1C1CC1 344359893 IRSPKXHXMVSCRY-UHFFFAOYSA-N 250.367 3.561 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn(CCC(C)C)c1C 343390617 BOZRFJIGWZKTOY-UHFFFAOYSA-N 277.412 3.778 30 20 CHED CC(C)CCN(Cc1cn2ccccc2c1C#N)C1CC1 340791436 IFMREIJRIJXKCK-UHFFFAOYSA-N 281.403 3.821 30 20 CHED N#Cc1ccccc1CN1CCCC12CCCCC2 533935043 TXZZWTAXZWELKJ-UHFFFAOYSA-N 254.377 3.857 30 20 CHED C=CCCN(C)C(=O)c1ccc(OC2CCC2)cc1Cl 341989135 ZYNIBOATJGDPFR-UHFFFAOYSA-N 293.794 3.919 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCc2ccc(C)cc21 436308366 MUVZWBKLHOBPPA-NJAFHUGGSA-N 271.404 3.553 30 20 CHED C[C@@H](CCC#N)CNc1cccc(Br)c1 602492291 GDTBUFNRANXMAD-JTQLQIEISA-N 267.170 3.801 30 20 CHED CC[C@H](C)n1ncc(NCc2ccc(C#N)o2)c1C1CC1 341380489 QGAQARZOLYOHAK-NSHDSACASA-N 284.363 3.808 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1[C@H](C)CCC[C@H]1C 432271778 RXFDMWJKOLWHMZ-VXGBXAGGSA-N 285.391 3.813 30 20 CHED C[C@H](CCC#N)CN1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 602653186 BVCLREHTAHEOQU-CBZIJGRNSA-N 290.451 3.596 30 20 CHED N#Cc1cccc(SCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 248688818 IKAAALIIIDQKHP-CORIIIEPSA-N 271.385 3.656 30 20 CHED C=CCOc1ccccc1CNC(=O)Nc1ccc(C)cc1 521168905 BWJIUFMSZFATCE-UHFFFAOYSA-N 296.370 3.882 30 20 CHED C=CCCC(=O)N(CCc1ccccc1)C1CCCC1 524284879 YPOMDECKBGASRV-UHFFFAOYSA-N 271.404 3.967 30 20 CHED C=CCC[C@H](C)N[C@H](CCO)c1ccc(Cl)cc1 348246129 RRXSRYZSDVNTEP-SWLSCSKDSA-N 267.800 3.708 30 20 CHED CC[C@H](SC)C(=O)N(CC(C)C)c1ccc(C#N)cc1 437206781 FKXPTGCVLQPSTM-HNNXBMFYSA-N 290.432 3.689 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1ccc(Cl)nc1 255008766 QBZPGOQJSKQXAH-PXNMLYILSA-N 281.142 3.713 30 20 CHED Cc1ccnc2[nH]c(SCc3ccc(F)c(C#N)c3)nc12 347432902 QKGNFXNRRDHUDW-UHFFFAOYSA-N 298.346 3.569 30 20 CHED C=CCN(Cc1ccc(C(F)(F)F)cc1)[C@H](C)COC 621317643 PSEDNCCBUVQWPI-GFCCVEGCSA-N 287.325 3.728 30 20 CHED C=CCC1(NC(=O)c2cnnc3ccccc23)CCCCC1 529459876 SCUSNKJEVWKBKY-UHFFFAOYSA-N 295.386 3.639 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CC12CC3CC(CC(C3)C1)C2 608822475 FCPWHLGXVUODRQ-QFQXCOSMSA-N 288.435 3.647 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1ccc(F)c(C#N)c1 609102563 ISHPRYROHUVEOE-NSHDSACASA-N 262.328 3.708 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 344003455 IRROSZPSUIQIGR-LLVKDONJSA-N 275.314 3.534 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnn(-c2ccccc2)c1 343328022 CEBCFWOKBZMWHS-CQSZACIVSA-N 298.390 3.739 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC(F)(F)C1)c1ccccc1 345769700 CRYPZOSYWFNZIC-CQSZACIVSA-N 294.345 3.745 30 20 CHED COc1ccccc1[C@@H](NC[C@@H](C)CCC#N)c1ccco1 602591234 XRILYLFVPPAGCV-KBXCAEBGSA-N 298.386 3.907 30 20 CHED CCN(CC)Cc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 442861227 SZINYNYXAVBRRW-RDJZCZTQSA-N 271.408 3.633 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 352248871 DRTNFPFEAGNVJF-MLGOLLRUSA-N 288.366 3.635 30 20 CHED Cc1ccc([C@@H](CNC[C@H](C)CCC#N)N2CCCC2)cc1 602533021 MXQOQEXRXXAXLY-IEBWSBKVSA-N 299.462 3.661 30 20 CHED CC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C 609232748 HVMYNAWPQYWXNY-ZDUSSCGKSA-N 261.325 3.703 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](c1ccco1)N(CC)CC 531706697 WKWFRPJQXAJTEV-HRCADAONSA-N 278.440 3.853 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccccc1C#N 531202339 JPYUJJPLWSZGDD-KXBFYZLASA-N 276.383 3.936 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cc(Cl)ccc1OCC 539296474 BCUNBFIAIJBZGE-OLZOCXBDSA-N 297.826 3.574 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(C#N)c[nH]1 359147337 FPAWQCHEEXLKAF-MRXNPFEDSA-N 295.386 3.712 30 20 CHED C=C(CC)CSc1nnc(Cc2ccc(OC)cc2)o1 539113294 PWRMCYJCSYCOKT-UHFFFAOYSA-N 290.388 3.727 30 20 CHED CC[C@H](C)Oc1cc(CN(C)[C@H](C)CC#N)ccc1OC 611268539 KLPSMZAONNQDGF-KGLIPLIRSA-N 290.407 3.606 30 20 CHED C=C(C)CCNC1CCN(Cc2ccccc2Cl)CC1 449472207 FFULJOFDNJRJQD-UHFFFAOYSA-N 292.854 3.860 30 20 CHED COC1CCC(C)(CN[C@@H]2CCc3ccc(C#N)cc32)CC1 353623102 FJRXLEHDEZIHCL-CUYAVPTFSA-N 298.430 3.730 30 20 CHED CC(C)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 442863308 XICSHQZIYGRHOB-FGTMMUONSA-N 270.420 3.783 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CC[C@@H](c2ccccc2)O1 352544602 BGWFZLSWLOHXPN-JKSUJKDBSA-N 287.403 3.625 30 20 CHED N#CC1(CSc2nnc(-c3cc4ccccc4o3)o2)CC1 536585087 JLNOTOIGAQPVGA-UHFFFAOYSA-N 297.339 3.879 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 448985778 YYMZDPKJXCXLGE-LALPHHSUSA-N 290.794 3.847 30 20 CHED Cc1ccc(F)c(CNC2(c3cccc(C#N)c3)CC2)c1 269610636 LXOVHCCRRSSQMQ-UHFFFAOYSA-N 280.346 3.785 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)NCC(C)(C)CCC#N 351564490 UNXNKZKSZNZRGR-UHFFFAOYSA-N 298.390 3.928 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCC1CCCCC1 618742643 NRTVWLRKIFACLK-QGZVFWFLSA-N 254.377 3.715 30 20 CHED C=C(C)COc1cccc(N[C@H]2CSC[C@@H]2C)c1 449056282 ZYALQMMXFTTZBD-WFASDCNBSA-N 263.406 3.805 30 20 CHED C[C@@H]1CSc2ccccc2N(Cc2cc(C#N)n(C)c2)C1 356358448 DZFPLFVRSBONJM-ZDUSSCGKSA-N 297.427 3.645 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 355329175 FVXWIZDYUIJATJ-JRPNMDOOSA-N 289.354 3.644 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1ccccc1C(F)(F)F 539360000 WDFRZWXNXZMHEN-VXGBXAGGSA-N 287.325 3.683 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)c(C)c2)C2CC2)o1 618591479 HBRZIXAGRAAJPX-UHFFFAOYSA-N 280.371 3.933 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](CC)C(F)F 452266906 UCQRZWBOYKSURD-NSHDSACASA-N 285.359 3.738 30 20 CHED C=CC(C)(C)CNC(=O)N1CCCC[C@@H](SCC)C1 458992340 WEWRKCOPDNGERS-CYBMUJFWSA-N 284.469 3.516 30 20 CHED Cc1nsc(Oc2ccc3ncccc3c2)c1C#N 360959119 FNNLRZCMMAUAHO-UHFFFAOYSA-N 267.313 3.664 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCC[C@H]1c1ccc(F)cc1 459660041 AQDVAQHUOFHUSZ-JKSUJKDBSA-N 274.383 3.991 30 20 CHED C=CCC1(C(=O)N(CC)Cc2ccccn2)CCCC1 450076233 KBKUCADXJIAJFW-UHFFFAOYSA-N 272.392 3.567 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 362679469 KGBHJVZWDSARHO-SSDOTTSWSA-N 299.252 3.543 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)c(C)s1 537323554 NPCSYMKRJQDGIW-NSHDSACASA-N 251.395 3.840 30 20 CHED C=CCC1(CNC(=O)[C@H]2CCO[C@@H](CCC)C2)CCCC1 456488466 QVYCITHJIZJFJE-HOTGVXAUSA-N 293.451 3.834 30 20 CHED C[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)C1CCCC1 610522838 ZKDTYNZWWBGLCZ-QWHCGFSZSA-N 270.376 3.562 30 20 CHED COc1ccccc1[C@H](C)NCc1ccc(C#N)c(F)c1 361863315 VHKWGZBTBHFRFF-LBPRGKRZSA-N 284.334 3.557 30 20 CHED CC[C@H](C)[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612367015 KONTWGYPUYUMFL-KVSKMBFKSA-N 298.430 3.969 30 20 CHED C=CCC1(C(=O)Nc2cccc(-c3cn[nH]c3)c2)CCC1 365094123 YVAYZWIBCZUBBG-UHFFFAOYSA-N 281.359 3.762 30 20 CHED Cc1ccc2oc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2c1 277915009 MPZIVOBJTRIYSA-INIZCTEOSA-N 296.370 3.896 30 20 CHED CCCC1(CNC(=O)c2ccc(Cl)c(C#N)c2)CC1 541601100 MJFHNWJWDBXOOF-UHFFFAOYSA-N 276.767 3.522 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)cc2C)cc1C 614397282 IHCHRXVXEJGMJK-UHFFFAOYSA-N 294.398 3.816 30 20 CHED Cc1ccc(-c2noc(C3(C#N)CCCC3)n2)c(F)c1 273976647 KBMWRTUWLLVFIZ-UHFFFAOYSA-N 271.295 3.520 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(F)c(SC)c2)C1 617781139 GBWXDPRKSLIJOX-LBPRGKRZSA-N 293.407 3.976 30 20 CHED Cc1ccnc(N2CC[C@H](Cc3ccccc3)[C@H]2C)c1C#N 542210344 OGEZBCRPWVZIKF-NVXWUHKLSA-N 291.398 3.719 30 20 CHED C=C1CCN(Cc2cc(Cl)c(O)c(OCC)c2)CC1 459334623 MFBNKWLJXCEZRH-UHFFFAOYSA-N 281.783 3.596 30 20 CHED CCOC(=O)[C@@H](CC(C)C)Sc1cccc(C#N)c1 541077023 ZFIMGVFRNXRHGR-CQSZACIVSA-N 277.389 3.628 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(CCC#N)CC(F)(F)F 450039425 CMUYVMAHZCRZHS-NWDGAFQWSA-N 290.329 3.507 30 20 CHED C=CCC(C)(C)c1noc([C@@H](OCC)C(C)C)n1 624633541 JCFPWJFZXVHQDF-NSHDSACASA-N 252.358 3.657 30 20 CHED Cc1cccc(Cl)c1NC(=O)CC(C)(C)C#N 278428296 YTOHLXBXCHXFCR-UHFFFAOYSA-N 250.729 3.527 30 20 CHED C#Cc1cccc(N(C(=O)c2ncccc2CC)C(C)C)c1 270992042 UNSBZLWABHSVOV-UHFFFAOYSA-N 292.382 3.681 30 20 CHED CN(Cc1ccc(C#N)cc1)c1cc(Cl)nc(C2CC2)n1 270899968 FGYIKFCXZWLLFF-UHFFFAOYSA-N 298.777 3.515 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1nccc2c(OC)cccc12 450501476 PRVHWXRYUGQUDY-SUMWQHHRSA-N 298.386 3.637 30 20 CHED COc1cc(C)c([C@@H](C)NCCC(C)(C)C#N)cc1OC 272046542 SEHRLAGCLASJQC-CYBMUJFWSA-N 290.407 3.603 30 20 CHED Cc1ccc([C@H](NC(=O)N(C)CC(C)(C)C#N)C2CC2)cc1 457583915 WXTXTEWRIAABBA-INIZCTEOSA-N 299.418 3.637 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H](OCCC)CC1 458805959 BLWZUDNXJLLQFF-OAHLLOKOSA-N 296.455 3.579 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2nc(OC)ccc2c1 467354739 NRWBPTYDUWASEW-UHFFFAOYSA-N 296.370 3.950 30 20 CHED C=CCCCCNC(=O)c1cc(F)c(F)cc1Cl 274611993 KNPOKROQYACHDY-UHFFFAOYSA-N 273.710 3.704 30 20 CHED C=CCCN(C)C(=O)Cc1c(Cl)cccc1Cl 276384367 LWIIWGFGLRSJKG-UHFFFAOYSA-N 272.175 3.570 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CSc2ccccc21 468005465 PTVFNVJKXMMZKS-WFASDCNBSA-N 261.390 3.552 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 547287452 WXSFEYBLGUPBRE-SOUVJXGZSA-N 292.810 3.850 30 20 CHED C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@H]21)c1cccc(C#N)c1 461789001 YWGPJIHDLIAZCQ-QILLFSRXSA-N 296.414 3.843 30 20 CHED C=CCN(C(=O)c1cccc([C@H]2CCOC2)c1)C(C)(C)C 622944700 BHIWNJFPVVYXEB-INIZCTEOSA-N 287.403 3.617 30 20 CHED C=CCN(Cc1ccc2c(n1)CCC2)Cc1cccs1 556773374 DBXKNTCOPAKLSR-UHFFFAOYSA-N 284.428 3.820 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC=C(C(C)(C)C)CC1 466378400 LZVGXGRMODAAGG-AWEZNQCLSA-N 264.413 3.729 30 20 CHED C=CCN(C(=O)COc1cc(C)cc(C)c1)c1ccccc1 622903662 XYRLCPLIUXANLU-UHFFFAOYSA-N 295.382 3.901 30 20 CHED C=CCC[C@H](NCC[C@@H]1CCCCO1)c1ccco1 285996826 HHTORYWGUJNJCW-GJZGRUSLSA-N 263.381 3.836 30 20 CHED C[C@@H]1CCN(C[C@H](C#N)CCC#N)CC12CCCCC2 373410698 AKEZDNIGIODSHJ-CVEARBPZSA-N 273.424 3.722 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SCCCCF 285308502 WSXKZRBXIDXXPD-UHFFFAOYSA-N 278.274 3.814 30 20 CHED Cc1csc(N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)n1 280605189 UYGWZLXZIWOBTD-UHFFFAOYSA-N 299.399 3.529 30 20 CHED CSc1ccc([C@H](C)NCCCSCC#N)cc1 281316697 IKHQWVMXUJOXHF-LBPRGKRZSA-N 280.462 3.706 30 20 CHED CC(C)(C)c1cnc(CNCCc2cccc(C#N)c2)s1 466423828 DZJKGRIHKHZFEF-UHFFFAOYSA-N 299.443 3.645 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(C(C)(C)C)s1 280599093 JCYDVMWMCKIOMP-WFASDCNBSA-N 294.464 3.511 30 20 CHED C=CCC[C@@H](CCC)NCCc1ccc([N+](=O)[O-])cc1 462118309 FCWDNPXMPPSEEE-OAHLLOKOSA-N 276.380 3.862 30 20 CHED C=C(C)CCNc1cc(NC(C)=O)ccc1Cl 288786376 XBHVSTXEDVLYEI-UHFFFAOYSA-N 252.745 3.677 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)C3(C#N)CCC3)C2)cc1 286754857 OXKCYTLXVBFZJI-QGZVFWFLSA-N 296.414 3.649 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cc(C(=O)OC)cs1 556887031 ORIGKCRUKKTSPH-VXGBXAGGSA-N 281.421 3.930 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc2ccccc2c1 284943410 JXQVPQYBKXKJAC-INIZCTEOSA-N 253.301 3.685 30 20 CHED CC#CCCOc1c(Br)ccc(C)c1F 478832838 RYSVZBZYYFDXGY-UHFFFAOYSA-N 271.129 3.689 30 20 CHED C#Cc1ccc(CNc2ccc3c(c2)OC(C)(C)O3)cc1 809633955 NTKWPHSZVFYZLJ-UHFFFAOYSA-N 279.339 3.787 30 20 CHED CC#CC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 801197179 WWUWJFBDGAVJRR-AWEZNQCLSA-N 295.304 3.782 30 20 CHED C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCCOC1 388959736 WCJLMJXDNMARLX-JQWIXIFHSA-N 298.308 3.804 30 20 CHED C=CCCc1noc(/C=C(\C)c2ccccc2OC)n1 297253986 JLSHMAXZSABHDI-VAWYXSNFSA-N 270.332 3.757 30 20 CHED C=CCC1(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CCC1 478059311 BAYWSTYRJDXUIB-CBBWQLFWSA-N 261.409 3.674 30 20 CHED CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 478206180 KSZXAPQTBGLRTK-MRXNPFEDSA-N 284.403 3.528 30 20 CHED C=CCCCCN[C@H]1CCc2nc(Cl)ccc21 806160755 UJFZCBAKHWARJL-LBPRGKRZSA-N 250.773 3.668 30 20 CHED C[C@H](C#N)OCCNc1cccc(Oc2ccccc2)c1 385771863 KQPJJYSHLAQMLM-CQSZACIVSA-N 282.343 3.819 30 20 CHED C=CCCOC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801900548 PVNZWXGEDFJHGW-LLVKDONJSA-N 276.229 3.835 30 20 CHED CC(=NNCCC(F)(F)F)c1cc(Cl)cc(C)c1O 807985943 CIOBBHNUOFXDCO-UHFFFAOYSA-N 294.704 3.620 30 20 CHED CC(=NN[C@@H]1CCSC1)c1cc(Cl)ccc1Cl 808002719 OMDGUHGIHOOCKV-SNVBAGLBSA-N 289.231 3.813 30 20 CHED CN(CCCOc1cccc(C#N)c1)CCc1ccccc1 387960948 GQBNWRWXSRGAIL-UHFFFAOYSA-N 294.398 3.502 30 20 CHED C=CCCCCNC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 472830615 KAKQCAVGIDWGFA-PBHICJAKSA-N 278.440 3.953 30 20 CHED C#C[C@H](NC(=O)[C@H](C)CCC)c1ccc(Cl)cc1F 804418557 PVWLUIHVQZZNFP-YGRLFVJLSA-N 281.758 3.706 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(OC)c(C)cc1C 478569543 PJPWIHBYCUVBJJ-UHFFFAOYSA-N 284.359 3.552 30 20 CHED Cc1ccc(-c2csc(NC(=O)CCCC#N)n2)s1 291036385 XSNSWRNNHMDWJS-UHFFFAOYSA-N 291.401 3.812 30 20 CHED COc1ccc(NN=C[C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 800814812 ZLSGZSZGIOAOQF-JTQLQIEISA-N 279.340 3.683 30 20 CHED C[C@H](C#N)OCCN[C@H](c1ccccc1)C1CCCCC1 801935479 FSQXWXDSEALWSR-CRAIPNDOSA-N 286.419 3.826 30 20 CHED C=CCCCCCCNC(=O)Cn1c(C)nc2ccccc21 805218585 FZWFCGJXDDKIEY-UHFFFAOYSA-N 299.418 3.597 30 20 CHED Cc1c(C#N)cccc1NCCCCOC(C)(C)C 473668031 QZYYXNKBZBFALP-UHFFFAOYSA-N 260.381 3.874 30 20 CHED C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CCC[C@H]1C 802713931 YOOIYKYNOPNBJK-CHWSQXEVSA-N 288.391 3.502 30 20 CHED C=CCCCCCCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 805277972 ORZDVEJUKFLQEF-BZUAXINKSA-N 279.424 3.587 30 20 CHED C#CCO[C@H](C)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C 295036319 ABFSHOAGQDJTDE-CQSZACIVSA-N 297.354 3.540 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCC[C@H]3C[C@H]32)c1 800974300 JJIOCNXPPMGWNR-ONIAQPFYSA-N 284.403 3.646 30 20 CHED C=C(CNC(=O)NCc1ccc(F)c(C)c1)c1ccccc1 477915874 WDCDFCALTYYTRY-UHFFFAOYSA-N 298.361 3.647 30 20 CHED Cc1cccnc1SCc1ccc(OCC#N)cc1 804921784 GCUQXPNXGIIELD-UHFFFAOYSA-N 270.357 3.585 30 20 CHED C=C(CC)CN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC 560539441 BQCNDFHERPIXKB-KSZLIROESA-N 273.420 3.894 30 20 CHED CCCCc1nc(CSc2ccc(C#N)c(C)c2)no1 568984081 QGVKCHSJLDUMAH-UHFFFAOYSA-N 287.388 3.885 30 20 CHED CO[C@H](CON=C1CCCOCC1)c1ccc(Cl)cc1 800868798 LEUJDYBEMQCALW-OAHLLOKOSA-N 297.782 3.601 30 20 CHED C=CCC[C@@H](C(=O)NCCC(C)(F)F)c1ccccc1 295597593 OUYSYKCRZHCAPY-CQSZACIVSA-N 281.346 3.898 30 20 CHED CCC(CC)N(CC)C(=O)Nc1ccc(C#N)cc1OC 566879090 FPDJKBOTKLQLHC-UHFFFAOYSA-N 289.379 3.609 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C 472772802 PQNSCTIRNQCOHT-CVEARBPZSA-N 279.399 3.830 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)[C@H](C)CCCC 561379733 NHJJMWVJLAVIAP-QXSJWSMHSA-N 253.430 3.772 30 20 CHED C#CCOc1ccc(CNC[C@@H]2CCCC(F)(F)C2)cc1 800276569 MILJFJKKBUDYQR-OAHLLOKOSA-N 293.357 3.614 30 20 CHED C[C@H](NCC1(C#N)CC1)[C@@H](C)c1nc2ccccc2s1 565517611 HDIOGLGEXYQMNC-NEPJUHHUSA-N 285.416 3.682 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H](c2ccccc2)C1 814334149 HQURJWVWZSRWBC-QGZVFWFLSA-N 269.388 3.586 30 20 CHED CC(C)OCCON=Cc1c(Cl)oc2ccccc12 812239856 BSKBPPPNUXNUGC-UHFFFAOYSA-N 281.739 3.862 30 20 CHED CCCCCCCCC(=O)N1CC2(CCNCC2)C[C@H]1C 818291141 QXCFUIURHZCZEH-MRXNPFEDSA-N 294.483 3.728 30 20 CHED Fc1cccc(NN=Cc2cscc2C(F)(F)F)n1 811650346 VYFTWIUDGXDHJT-UHFFFAOYSA-N 289.257 3.747 30 20 CHED C[C@H](NCCCCC#N)c1ccc(Br)c(F)c1 489480125 ABSMPKUGRBNILQ-JTQLQIEISA-N 299.187 3.933 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@H]2CCC[C@@H]21 480550948 GLIQUDFZKSYSSI-WBMJQRKESA-N 274.795 3.976 30 20 CHED CC(C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)=C1CCCC1 819736340 IDOMTAFMOWSYSL-AWEZNQCLSA-N 282.387 3.968 30 20 CHED C[C@H](OC(=O)CCCC#N)c1ccc(Cl)cc1 812616423 BPAGWFZALLKCHL-JTQLQIEISA-N 251.713 3.638 30 20 CHED CCc1nc2ccccc2n1N=Cc1ncc(Cl)s1 814787536 PJMLPCGUZGYLAB-UHFFFAOYSA-N 290.779 3.591 30 20 CHED C=CCOCCOC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 813894506 LVXJBIIXFNLCKP-ZWKOTPCHSA-N 296.366 3.689 30 20 CHED COc1ccccc1CC(=NOC1CCC1)C(C)C 812238064 LHBHDGHOIITEDE-UHFFFAOYSA-N 261.365 3.819 30 20 CHED CC(=NN[C@@H](C)COc1ccccc1)C1CCSCC1 811664495 FIGMSELTRJTUFZ-ZDUSSCGKSA-N 292.448 3.563 30 20 CHED CCCCCCCN(C)C1C[C@@H]2CC[C@H](C1)N2CCOC 815209438 WKMQFICVEOVIAR-JWTNVVGKSA-N 296.499 3.530 30 20 CHED CC(C)(C)c1cnc(C=NNc2ncccc2Cl)s1 814810387 KFONLCLIJXESCO-UHFFFAOYSA-N 294.811 3.935 30 20 CHED Cc1ccc([C@@H](C)CNc2ccc(C#N)c([N+](=O)[O-])c2)cc1 574731677 FLMWIYYMUKTNCB-ZDUSSCGKSA-N 295.342 3.991 30 20 CHED COc1ccc(NN=C(C)c2ccc(Cl)c(N)c2)cc1 814885405 ZICKWPCZZGDPAC-UHFFFAOYSA-N 289.766 3.767 30 20 CHED CCCN(CC#N)CCc1cc(Cl)ccc1Cl 488396527 JPYXUHXUQUWAPF-UHFFFAOYSA-N 271.191 3.771 30 20 CHED CN(CC(C)(C)C#N)[C@@H]1CCc2cc(Cl)ccc21 814668822 DYZAZXXLKPBXQZ-CQSZACIVSA-N 262.784 3.809 30 20 CHED CC(C)(C#N)CCCCN1CCC=C(c2ccccn2)C1 571175716 KPWIUTLOSOYBKO-UHFFFAOYSA-N 283.419 3.891 30 20 CHED Fc1ccc(CON=Cc2ccc3oncc3c2)cc1 814903322 DBMDRFOYGMQAMR-UHFFFAOYSA-N 270.263 3.518 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1cc2ccc(C)cc2o1 811659965 CQYAXYKKZGKWEO-ZDUSSCGKSA-N 288.416 3.808 30 20 CHED C=CCOc1ccccc1CNC(=O)CC(C)(C)C1CC1 570384013 UFNRJQLAXXXQBO-UHFFFAOYSA-N 287.403 3.694 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(F)c2C#N)oc1C 811690735 GZDYRBMDFSYMQO-SREVYHEPSA-N 269.275 3.803 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)nc1 728804828 BLOCTOFRGFTCEG-GOSISDBHSA-N 292.382 3.580 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc3c(c2)CCC3)no1 576317988 ZEOWTALXKJYFHV-GOSISDBHSA-N 298.386 3.706 30 20 CHED C=C(C)C(C)(C)C(=O)OCC[C@@]1(C)C[C@@]1(F)Cl 822031131 DNWQKNLWXHWCSR-STQMWFEESA-N 262.752 3.837 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc(O)c(F)c1 728439176 WSDUSGLDLZYWNJ-UTCJRWHESA-N 274.266 3.875 30 20 CHED N#C[C@H]1CC[C@@H](Sc2c(F)cc(F)cc2F)C1 572352920 RFIJPJSUJUVYKY-IONNQARKSA-N 257.280 3.888 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(Cl)n1 821759755 YTLHYCFHLNCIPS-UHFFFAOYSA-N 267.760 3.601 30 20 CHED C=CCCCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C 828428291 JSYORUPYHHOXNM-CABCVRRESA-N 296.455 3.720 30 20 CHED C#Cc1cccc(N(C)Cc2cccc3cccnc23)c1 728574311 UQMWVDKXRBEUCY-UHFFFAOYSA-N 272.351 3.853 30 20 CHED C#CCN(CC)C(=O)c1sc2cc(C)ccc2c1Cl 729178106 IEZJHYCILJWSGT-UHFFFAOYSA-N 291.803 3.958 30 20 CHED CCCCCCCNC(=O)c1ccc(C(C)C)nc1O 826982094 PUXLBWUMVSJZTJ-UHFFFAOYSA-N 278.396 3.611 30 20 CHED N#CC1(C(=O)OCc2ccc3ncccc3c2)CCCCC1 729800128 BJVCJNAWEGFKAB-UHFFFAOYSA-N 294.354 3.752 30 20 CHED CC(Cc1ccsc1)=NNc1ccc([N+](=O)[O-])cc1 729631345 HFTXMIDXDPOBAF-UHFFFAOYSA-N 275.333 3.687 30 20 CHED C=CCN(C)C(=O)c1sc(-c2ccc(C)cc2)nc1C 822125363 OMHFVJWIEPBGSN-UHFFFAOYSA-N 286.400 3.685 30 20 CHED C=CCN(C(=O)NC1CC(c2ccccc2)C1)C(C)C 728400910 WKFJWGHXAQWMBO-UHFFFAOYSA-N 272.392 3.539 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C(C)C)c1 728247504 FWPWWTKHYGUQDQ-XYJFISCASA-N 281.399 3.846 30 20 CHED CC[C@H]1CN(c2cccnc2C#N)CC[C@@H]1c1ccccc1 589582103 RDUBTXOPDIRYFJ-RDJZCZTQSA-N 291.398 3.973 30 20 CHED CCCCCCC[C@@H](C)NC[C@H]1CC(=O)N(C(C)(C)C)C1 827554913 LBFQXIXDYHDLKQ-HZPDHXFCSA-N 296.499 3.972 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)C1(C#N)CCCC1 583169498 XIFUCRXNRBVIFN-KGLIPLIRSA-N 276.424 3.744 30 20 CHED C=CCC[C@@H](C)N[C@@H](C(=O)O)c1cccc2ccccc12 902564029 UCWGKPXSVBVSFL-CXAGYDPISA-N 283.371 3.910 30 20 CHED CC[C@@H](N[C@H](CCOC)c1ccco1)c1cccc(C#N)c1 902944347 GBYJQMSZBZRUAN-IAGOWNOFSA-N 298.386 3.970 30 20 CHED C[C@@H](C[C@H]1CCOC1)Nc1ccc(C#N)cc1C(F)(F)F 589583919 GOWGOFFWJOTSPK-CMPLNLGQSA-N 298.308 3.804 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc(F)c(Cl)c1 494902084 CGDIALYPHYFYJV-GFCCVEGCSA-N 296.773 3.729 30 20 CHED C=C[C@@](C)(CC)c1nc([C@@H]2CCOc3ccccc32)no1 584686110 FYNDQNVAXNVJOG-DYVFJYSZSA-N 284.359 3.838 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCc1cccc(C#N)c1 734057547 ZVEVYSJHSRBKAU-CYBMUJFWSA-N 271.360 3.818 30 20 CHED Cc1c(C(=O)NC[C@@H](C)C2CC2)sc2ccc(C#N)cc12 589982061 ZLOQPDSNICEDKT-SNVBAGLBSA-N 298.411 3.857 30 20 CHED C#CCOc1ccccc1CNC(=O)CCCCCCC 734106707 KQGNFHKANXXUGR-UHFFFAOYSA-N 287.403 3.675 30 20 CHED COc1c(C)cc([C@H](C)NCC2(C#N)CC2)cc1Cl 903106865 XCGFPUSELGLJAD-NSHDSACASA-N 278.783 3.611 30 20 CHED CCCCCCCC(=O)Nc1nnc([C@H]2CCCO2)s1 830425685 XQRKNEJYVCUVQI-LLVKDONJSA-N 297.424 3.689 30 20 CHED N#Cc1cc(Cl)ccc1CON=Cc1ccccc1F 588510210 MVUMIFSZOIUKOL-UHFFFAOYSA-N 288.709 3.901 30 20 CHED C[C@H]1/C(=C\c2cccc(C#N)c2)C(=O)c2c(O)ccc(F)c21 834803525 VTCIBRVEQRSGOP-XNFYSYIQSA-N 293.297 3.786 30 20 CHED c1cc(CCNN=C2CCCC23CCCCC3)ccn1 834977715 XPKQJRUODNJFMP-UHFFFAOYSA-N 271.408 3.704 30 20 CHED Cc1cc(NC(=O)CCCCCC#N)c(C)c(C)c1O 589848524 XLGUKHMDUATYMT-UHFFFAOYSA-N 274.364 3.730 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@H]2CSc3ccccc32)C1 839057371 XDMNBUSWQMSDSB-BZPMIXESSA-N 287.384 3.501 30 20 CHED CC(C)c1ncc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)s1 839059124 YWQSSPIEALCGEY-GHMZBOCLSA-N 278.377 3.506 30 20 CHED COc1cccc(NN=Cc2cccc(C)c2C)c1 731151660 OFIVNLHJOYSQBV-UHFFFAOYSA-N 254.333 3.758 30 20 CHED C=CCc1ccccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 916859390 RSNWWFZWDIJRKM-UHFFFAOYSA-N 297.310 3.851 30 20 CHED CCc1cc(C#N)ccc1OC(=O)OC1CCCC1 831386044 BXDSLNHLMJGATM-UHFFFAOYSA-N 259.305 3.579 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(Cl)ccc2F)C1 839043575 KEWFXWADWBMXSA-KOLCDFICSA-N 281.714 3.718 30 20 CHED N#C[C@]1(C(=O)OCC2CCC(F)(F)CC2)CC12CCCC2 837903257 SLJUUJSDQKCYIZ-HNNXBMFYSA-N 297.345 3.829 30 20 CHED C=CCN(C(=O)NCc1ccccc1OC(C)C)C(C)C 918128663 LLOHPQGNZGBQMF-UHFFFAOYSA-N 290.407 3.580 30 20 CHED Fc1ccccc1NC(=S)NN=C/C=C\c1ccccc1 915921500 YGDXUORXNNDLNR-WPFQCSIDSA-N 299.374 3.811 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H](C)Cc1cncc2ccccc12 839040408 NRLYUTNGUQBTFI-HUUCEWRRSA-N 295.382 3.759 30 20 CHED C=C(CN[C@@H](C)Cc1ccccc1OC)c1ccccc1 675783558 KQAZAUORQICXCX-INIZCTEOSA-N 281.399 3.929 30 20 CHED C[C@@H](c1noc(CC2(C#N)CCCCC2)n1)c1ccco1 598681985 OWNMBAVGYNGXHD-GFCCVEGCSA-N 285.347 3.831 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 593455897 YGPWJRSTJJWDEJ-SUMWQHHRSA-N 295.386 3.771 30 20 CHED CCc1nc(C#N)cc(SCCCc2ccccc2)n1 596119772 BJYAZJWUQWAODK-UHFFFAOYSA-N 283.400 3.636 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCC#N)Cc1ccco1 592757304 NROJLBLXWUWHFB-DZGCQCFKSA-N 288.391 3.594 30 20 CHED CCN(C)c1ccc(/C=C/C(=O)c2coc(C(C)C)n2)cn1 844553810 XPRALSRJPKCHBG-SOFGYWHQSA-N 299.374 3.545 30 20 CHED COc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1C 595106072 REMWTDIDNIOBNN-AWEZNQCLSA-N 280.371 3.726 30 20 CHED CC[C@H](C#N)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 593480075 BDUKZJPJGQISBA-GDBMZVCRSA-N 284.403 3.926 30 20 CHED CN(Cc1ccccc1)CC(C)(C)C=NNC1CCCC1 747630872 VDZWQAGKHZKQJC-UHFFFAOYSA-N 287.451 3.663 30 20 CHED C=CCCCNCc1cc(Br)cnc1Cl 842705961 HGGGCRKDTYGQNU-UHFFFAOYSA-N 289.604 3.553 30 20 CHED CC(C)c1ccc2c(c1)CN(c1cnccc1C#N)CC2 596408861 LFNNZJVSXFBDES-UHFFFAOYSA-N 277.371 3.639 30 20 CHED C=CCN(CCC#N)CCO[C@@H](CC)c1ccccc1 593031267 ZSWCPNQBBVRFLA-KRWDZBQOSA-N 272.392 3.556 30 20 CHED CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1CCC1CCCC1 598593104 PVSQILKKNGZQIY-SJORKVTESA-N 292.467 3.722 30 20 CHED Cc1ccc(C)c(NC(=S)N2CCC[C@H](CC#N)C2)c1 849271568 NDMMQUHYNVOMTF-CQSZACIVSA-N 287.432 3.626 30 20 CHED CCOc1ccc(/C=N/C[C@H]2CCCC2(F)F)c(O)c1 840708627 HTJSCELGNVDFEX-KBSHCFNASA-N 283.318 3.645 30 20 CHED Cc1ccc(-c2cc(CN3CCC[C@@H](CC#N)C3)on2)cc1 595608927 CFRRTGBRVBMKDE-HNNXBMFYSA-N 295.386 3.776 30 20 CHED N#Cc1ccc(CCSCCC2CCOCC2)cc1 596360969 PZGNDGITKWCLQZ-UHFFFAOYSA-N 275.417 3.651 30 20 CHED C#CCN(C(=O)/C=C\c1cccc(F)c1)C1CCCCC1 743690126 SAIPHWVCAVSPOZ-QXMHVHEDSA-N 285.362 3.633 30 20 CHED CC[C@H](C(=O)N(C1CC1)[C@H](C)C#N)C1CCC(C)CC1 598131796 CZLYRDMVTCLTSR-MFQJDOPTSA-N 276.424 3.742 30 20 CHED C[C@H](N=c1[nH]c(C#N)c(Cl)s1)c1ccc(Cl)cc1 590570194 XXSUETHGNAIMDC-ZETCQYMHSA-N 298.198 3.917 30 20 CHED CC1=C(C(=O)Nc2cc(CC#N)ccn2)CCC(C)(C)C1 590679614 HQYSSYZSNRBCDW-UHFFFAOYSA-N 283.375 3.613 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)Cc2ccsc2)c(O)c1 918713146 VURFTODCPHJNFN-NJPLLEPOSA-N 289.400 3.903 30 20 CHED C#CCNC(=O)Nc1ccccc1Oc1ccc(C)cc1 915313452 YXICWSMOWHYUGZ-UHFFFAOYSA-N 280.327 3.542 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2F)C1 846935821 DZBJYSWOKUGVDZ-CYBMUJFWSA-N 288.366 3.596 30 20 CHED C#CCCCCC(=O)Oc1ccc2c(c1)cc(C)n2C 842399342 UKBXFXRDFSQPBP-UHFFFAOYSA-N 269.344 3.586 30 20 CHED C=CCN(C(=O)Cc1ccc(Cl)cc1Cl)C(C)C 914683130 HLTVKHQDELUGFJ-UHFFFAOYSA-N 286.202 3.959 30 20 CHED CC(CCc1ccco1)=NNc1cc([N+](=O)[O-])ccc1C 747061853 NGQNKKOMKRRUPF-UHFFFAOYSA-N 287.319 3.917 30 20 CHED N#CC1(CC(=O)N2CC3(CCCCC3)C2)CCCCC1 597483405 FNDDJPSBKYYLSW-UHFFFAOYSA-N 274.408 3.643 30 20 CHED CCc1cccc(NC(=S)N2CCC[C@@H](CC#N)C2)c1 849273223 UQCHHGMWRYUFJG-AWEZNQCLSA-N 287.432 3.571 30 20 CHED C=CCCC(=O)OCCSc1ccc(Cl)cc1 744920140 IJDDMXSDOPPXHV-UHFFFAOYSA-N 270.781 3.942 30 20 CHED CCCCCCCCCC(=O)N(CC)c1cnn(C)c1 848342701 QBPVVRMFNJQTGX-UHFFFAOYSA-N 279.428 3.914 30 20 CHED Oc1cccc(C=Nc2cccc(CC(F)(F)F)c2)c1O 743045019 WLMFRYWLVWHTNR-UHFFFAOYSA-N 295.260 3.953 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](C)c1ccc2ccccc2c1 594096721 GUTPDWZCYVVGAO-SUMWQHHRSA-N 280.371 3.704 30 20 CHED C#CCN(C(=O)N[C@H]1CCC[C@H](CC)C1)C1CCCCC1 741091431 KPZNDZGFGOWSHQ-HOTGVXAUSA-N 290.451 3.933 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 593092467 OPPBOQLZLFXSKM-QLFBSQMISA-N 274.408 3.567 30 20 CHED CCC(=NNc1ccc(CC(=O)O)cc1)[C@@H]1CC1(C)C 848414138 JRHZUOGDYJBBIQ-ZDUSSCGKSA-N 274.364 3.538 30 20 CHED C=C[C@H](C)ONC(=O)CSc1ccc(C(C)C)cc1 846551136 STLZAYQIIWEOKP-LBPRGKRZSA-N 279.405 3.524 30 20 CHED Cc1cc(C#N)ccc1N1C[C@H](c2ccsc2)O[C@H](C)C1 846751458 FVNWTXYMPLBKRG-CXAGYDPISA-N 298.411 3.895 30 20 CHED COc1ccccc1/C=C1/Cc2cc(C)ccc2C1=O 921263674 IMFRSKHSQJRWEV-GDNBJRDFSA-N 264.324 3.826 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(-c2ccccc2)no1 926530683 JJCIKWYSHUSJFH-UNEWFSDZSA-N 298.386 3.726 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@](C)(C#N)CC)cc1 755275802 WNNWJWYEXFFYSA-WBMJQRKESA-N 258.365 3.622 30 20 CHED C=C(CC)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754986031 KBIAGWMBPHTWKL-UHFFFAOYSA-N 287.674 3.510 30 20 CHED CCOc1cccc(/C=N\CCc2ccc(F)cc2)c1O 920942843 GWNMUNOOYISMNE-UNOMPAQXSA-N 287.334 3.592 30 20 CHED C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 921147452 QUQYASMMQMFDSF-PMPSAXMXSA-N 295.467 3.936 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)CC(C)(C)C#N 924844528 UYPQDVXYSXQGKZ-CJNGLKHVSA-N 256.393 3.900 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNc1cncc(Cl)n1 756880488 NMJYGSWWZQXUPF-UHFFFAOYSA-N 295.173 3.846 30 20 CHED C=C[C@@H](OC(=O)Cc1c(C)nn(CC)c1C)c1ccccc1 851451611 JZZKTSKOSUWHPP-QGZVFWFLSA-N 298.386 3.533 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@@H](C#N)C3)oc12 928226717 SUTWZVSIJPEJKI-AWEZNQCLSA-N 296.370 3.734 30 20 CHED CC(C)[C@@H](N[C@H](C)CC(C)(C)C#N)[C@@H](O)c1ccccc1 926319064 FQRZSYOIJLTECP-OIISXLGYSA-N 288.435 3.663 30 20 CHED Fc1cc(NN=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccn1 853331869 JDPWLOBKLVKQGD-NXEZZACHSA-N 289.276 3.987 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cnccc1C(C)(C)C 926580917 ALSMLZKJQYDQNP-ZDUSSCGKSA-N 273.424 3.797 30 20 CHED C=CCC[C@H](C)NCc1cc(CC=C)c(OC)c(OC)c1 756689156 SVNWQMCVKMWKPB-AWEZNQCLSA-N 289.419 3.877 30 20 CHED N#CCCCCOC(=O)/C=C/c1nc2ccccc2s1 752627287 NFPUKIQPJDTJJM-CMDGGOBGSA-N 286.356 3.547 30 20 CHED Cc1ccccc1C1CC(=NO[C@H]2CCCCO2)C1 755823704 NNQYZWQLJIUBEJ-VYIIXAMBSA-N 259.349 3.772 30 20 CHED CS[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccc1 851210349 UEHWDVFZSVSWAG-OCCSQVGLSA-N 291.416 3.962 30 20 CHED COc1cccc2c1C/C(=C\c1cc(F)ccc1F)C2=O 759664233 JVJMPKGQIDBWHS-YRNVUSSQSA-N 286.277 3.796 30 20 CHED C=CCCCc1nc(-c2ccc(F)c(COC)c2)no1 854093289 VIYUPLOXLHARGN-UHFFFAOYSA-N 276.311 3.531 30 20 CHED C#CCCCCNC(=O)N1CCCC2(CCCCCC2)C1 758880150 KGDOJAKNZTXMMU-UHFFFAOYSA-N 290.451 3.936 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@@H](CCC)c1ccc(Cl)cc1 857612854 FBZZRZGANIPDAS-DOMZBBRYSA-N 277.795 3.704 30 20 CHED COc1cc(Cl)ccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851210923 WBXFGSZTNZWIKA-JTQLQIEISA-N 295.766 3.834 30 20 CHED COc1ccc(CCC(C)=NOC2CCCC2)cc1O 754960329 DRXYIHNHTLLBFO-UHFFFAOYSA-N 277.364 3.669 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 931940299 HNUFFIFJFIKVFI-LBPRGKRZSA-N 297.402 3.840 30 20 CHED C#CCCc1noc([C@@H](C)CSCc2ccccc2)n1 762011281 XEDMRZRPLVRUTJ-ZDUSSCGKSA-N 286.400 3.672 30 20 CHED C=C[C@H](CC)CC(=O)NCc1ccccc1N1CCCC1 930412248 NIZNYPFJHDLPEY-OAHLLOKOSA-N 286.419 3.505 30 20 CHED Cc1ccc(-c2ncc(C=NNCC(F)(F)F)s2)cc1 769807895 CNAUQLYYTDMGDZ-UHFFFAOYSA-N 299.321 3.604 30 20 CHED CCCCCCCC(=O)O[C@H]1Cc2ccccc2C1=O 769985558 ATSDCTUBUWUYIS-HNNXBMFYSA-N 274.360 3.698 30 20 CHED CCCCCCCON=C1CCN(C(=O)C(C)C)CC1 764550024 FGHVZJJXIMJXBA-UHFFFAOYSA-N 282.428 3.608 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ncc(C(C)C)s1 860649472 UALGKSWTQFDTCN-UHFFFAOYSA-N 280.393 3.640 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cnc1Cl 760656056 KZMNPSWFXDYRBJ-LBPRGKRZSA-N 285.778 3.766 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1nc2ccccc2n1C 860575967 SSUMSARHTCPZPW-GFCCVEGCSA-N 299.374 3.507 30 20 CHED C#CCCN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 760292032 NOOMJLURKPMTMY-GOSISDBHSA-N 283.346 3.537 30 20 CHED C#CCOc1ccc(COC(=O)C(CC=C)CC=C)cc1 765139115 XUDRVQIBJLOQRO-UHFFFAOYSA-N 284.355 3.510 30 20 CHED CC/C=C\CCON=CC(=O)Nc1ccc(F)cc1Cl 768921982 IRVZRNLKCCGGJN-ZKUJDTBLSA-N 298.745 3.776 30 20 CHED COc1cc(F)c(C(=O)/C=C\c2ccccc2)cc1OC 760270921 VGCGLSNVTSFBJN-HJWRWDBZSA-N 286.302 3.739 30 20 CHED CC#CCCOC(=O)[C@@H](C)c1ccc(Br)cc1 760289316 LAGMCUBGWCSYSY-NSHDSACASA-N 295.176 3.509 30 20 CHED Cc1c(C#N)cccc1NCC(=O)NC1CCCCCCC1 769851726 NRDDEMFHVHPUKP-UHFFFAOYSA-N 299.418 3.508 30 20 CHED Cc1cc(NCCCC(C)(C)C#N)ccc1N1CCCC1=O 1116284679 VSSOQNOMXXZFJI-UHFFFAOYSA-N 299.418 3.864 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc(Cl)ccc1C 775939586 WSPQTGJARXNYQH-UHFFFAOYSA-N 299.757 3.913 30 20 CHED N#Cc1c(COC(=O)C[C@H]2C=CCCC2)cn2ccccc12 778398346 NOAWOKIXLNLZLI-AWEZNQCLSA-N 294.354 3.601 30 20 CHED Fc1ccc(Cl)cc1C=NNc1cc(Cl)ccn1 777905492 KCKZRDJOAPAIBY-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C=C(C)COC(=O)CCCCC(=O)c1ccc(F)cc1 778571027 WAFXIKIKIPBRQF-UHFFFAOYSA-N 278.323 3.688 30 20 CHED N#C[C@@H](OC(=O)c1cccc2cnccc12)C1CCCCC1 776389941 BYPJUTZFHVKXLZ-QGZVFWFLSA-N 294.354 3.864 30 20 CHED COc1ccc(C#N)cc1COC(=O)/C=C(/C)C(C)(C)C 772277706 GLQOBNSEYXACEB-WQLSENKSSA-N 287.359 3.602 30 20 CHED C#CCCCCCC(=O)N1CCCCc2c(OC)cccc21 779999783 DPLBTGVNLDCEGL-UHFFFAOYSA-N 299.414 3.948 30 20 CHED CC(C)c1cnc(SCC(=O)[C@H](C#N)c2ccccc2)[nH]1 871680159 XCJMDGBOVZPFLX-CYBMUJFWSA-N 299.399 3.502 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1cc(SC)ccc1C 879114027 SFODETADCJVUCO-OAHLLOKOSA-N 276.405 3.640 30 20 CHED C=CCc1cc(CN[C@@H](CC)C2CC2)cc(OC)c1OC 772947436 SMODWMKUJGMCJW-INIZCTEOSA-N 289.419 3.711 30 20 CHED CC(/C=C/C(=O)c1cscn1)=C\c1ccccc1 776193474 ZGSAXULNEPGZEO-ANKZSMJWSA-N 255.342 3.986 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)cc1F 1125801196 IFJCQTRJHXGGBG-CJNGLKHVSA-N 288.366 3.786 30 20 CHED N#Cc1csc(C(=O)OCCCc2cccc(F)c2)c1 778818384 KJSKUVBUSPBRLA-UHFFFAOYSA-N 289.331 3.548 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)OCC(C)(C)C#N 1122658673 SZKKHIKYKKAXQF-UHFFFAOYSA-N 283.327 3.962 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(Cl)cn1 774373177 LFODKTHRUGDJNK-UHFFFAOYSA-N 281.146 3.620 30 20 CHED COC(=O)c1coc(/C=C2/C[C@@H](C)c3ccccc3C2=O)c1 774134583 DJSHOUWZZPBNBK-HQQGHWSLSA-N 296.322 3.840 30 20 CHED C#CCCCCNC(=O)N1CCCC(C)(C)[C@H]1CC=C 770740728 RTFGHKUHQJKOOQ-OAHLLOKOSA-N 276.424 3.566 30 20 CHED C[C@@H](NC(C1CC1)C1CC1)c1ccc(C#N)c(F)c1 776731851 IRUPZZRZEVIODG-SNVBAGLBSA-N 258.340 3.537 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1ccc(F)c(F)c1 779821213 VWXRLTOXQOFFMK-UHFFFAOYSA-N 286.285 3.677 30 20 CHED C=CCOc1cccc(NC(=O)/C(C)=C(/C)CC)c1 779863054 KFFBTPNGGYWHSI-SEYXRHQNSA-N 259.349 3.936 30 20 CHED C#C[C@H](C)NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 775384063 QJJJYXBIHYHLIP-HNNXBMFYSA-N 291.394 3.769 30 20 CHED COc1ccc(CCNN=C2CC[C@H](C)C[C@H]2C)cc1 783845132 GUOLLITUNWZWED-UONOGXRCSA-N 274.408 3.639 30 20 CHED COc1ccc(CSCCC(C)(C)C#N)c(OC)c1 882307318 PHIKCUOIEPIWHD-UHFFFAOYSA-N 279.405 3.877 30 20 CHED C=C(CC)C(=O)Nc1cccc(Br)c1COC 1123546031 FUSMOHKPCGQCNM-UHFFFAOYSA-N 298.180 3.500 30 20 CHED CCCCCCCCCNC(=O)NCC(C)(C)C#N 781928253 WDAHSDWPEPOWKU-UHFFFAOYSA-N 267.417 3.586 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCOC2(CCC2)C1 888075403 WENYIJLZWPIREY-QGZVFWFLSA-N 299.414 3.551 30 20 CHED CC(=NNc1ncncc1Cl)C1C(C)(C)C1(C)C 780280537 QYLKEVKCMKWEKF-UHFFFAOYSA-N 266.776 3.600 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc(F)cc1C)OCC 784265467 JMHCJSBXQZRSEP-HNNXBMFYSA-N 280.339 3.549 30 20 CHED CC(CCCCN(C)C)=NNc1ccccc1Cl 781113691 DFMAVEOOFMSNLT-UHFFFAOYSA-N 267.804 3.860 30 20 CHED COc1ccc(NN=C(C)c2csc(Cl)c2)nc1 787163931 YRWNQBPAVIGAQM-UHFFFAOYSA-N 281.768 3.641 30 20 CHED COc1ccc(NN=C(C)c2cnn(C(C)C)c2C)cc1 787161907 GOFAVBCSEGBTNG-UHFFFAOYSA-N 286.379 3.617 30 20 CHED N#Cc1ccccc1CSc1ccc(Cl)cn1 70211163 QQWLQGVZHPQRSG-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C/C=C\c1ccc(OC(=O)CC(C)(C)C#N)c(OC)c1 786282567 BWBVCRZRGCYEOH-WAYWQWQTSA-N 273.332 3.574 30 20 CHED C/C=C(\CC)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 789337710 YBWLGLQWWYFFAM-RRIZPTRRSA-N 264.328 3.767 30 20 CHED C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@](F)(C#N)C1 786439290 YXJHUSYXZKMFID-MFKMUULPSA-N 286.272 3.704 30 20 CHED CCOc1c(Cl)cccc1C=NOCc1cccnc1 782253336 FAYLCBLBZTVBLG-UHFFFAOYSA-N 290.750 3.684 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc(-c2ccccc2)on1 785770082 VLEJVTFUTSSROF-QGZVFWFLSA-N 285.343 3.987 30 20 CHED CCOc1ccc(C=NNc2ccc(C#N)cc2)cc1F 782200012 RDYXBMRTYIWKJW-UHFFFAOYSA-N 283.306 3.542 30 20 CHED COc1cc(NN=C(C)C2CCOCC2)ccc1Cl 788468198 RFTDLTHSAIZKOG-UHFFFAOYSA-N 282.771 3.563 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc2c(s1)CCC2 781847393 RHYOCDMUOMQEIZ-UHFFFAOYSA-N 277.389 3.724 30 20 CHED C=CCc1ccc(OC(=O)/C(=C/C)CC)c(OC)c1 789345896 RUUAWRLSBSYABS-AWNIVKPZSA-N 260.333 3.685 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCCC1)c1nc(C2CC2)cs1 781183555 KGMLGHODLLORRI-SNVBAGLBSA-N 290.388 3.709 30 20 CHED CC1(C)C[C@H](NN=C2CCC[C@H]2c2ccccc2)CCO1 780249292 CODQEIBKMSPLKN-CVEARBPZSA-N 286.419 3.857 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2[C@H]2CCCOC2)c(Cl)c1 894340433 GNEJSLBOAYGRKR-DZGCQCFKSA-N 290.794 3.607 30 20 CHED CCn1cc(/C=C/C(=O)c2cccc(C3CC3)c2)c(C)n1 899377753 FYYZKWZQTPDFBN-MDZDMXLPSA-N 280.371 3.985 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc(C#N)c(Cl)c1 798877426 FMTDXVMEJMJDNY-UHFFFAOYSA-N 290.750 3.698 30 20 CHED COC(=O)c1csc(C(=O)/C=C\c2ccccc2F)c1 794723868 LQFCRMGKAOJYLM-SREVYHEPSA-N 290.315 3.570 30 20 CHED C#C[C@@H](NCc1ccc(F)cc1C(F)(F)F)C(C)C 387630776 ISJKXTJFLYGPCZ-CYBMUJFWSA-N 273.273 3.592 30 20 CHED C#CCOc1ccc(NC(=O)c2sccc2CC)cc1 730979429 HLBQQXCFEQUSCQ-UHFFFAOYSA-N 285.368 3.575 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1c(Cl)nc2ccccn12 793114067 JBZHXLFWRMAZDB-LLVKDONJSA-N 292.814 3.736 30 20 CHED C#CCN[C@H](c1ccc(Br)cc1)C1CCC1 390335002 LOECEYBCUBKULG-AWEZNQCLSA-N 278.193 3.513 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1C#N 799495782 VUQWAVXSYVECBR-CLFYSBASSA-N 277.323 3.771 30 20 CHED C#C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(C)(C)C 702244526 MWEZTZGMGFUPTN-LBPRGKRZSA-N 284.186 3.771 30 20 CHED C[C@@H](c1nccc2ccccc12)N1CCC(C#N)CC1 1204461512 SOABVINFZKDUCS-ZDUSSCGKSA-N 265.360 3.531 30 20 CHED CSCCON=C(CC(F)(F)F)c1ccccc1 794572786 XJSLEISNOKJTSM-UHFFFAOYSA-N 277.311 3.723 30 20 CHED CSCCON=Cc1cc(Cl)ccc1OC(F)F 794574789 PTJBHERMEGCFJI-UHFFFAOYSA-N 295.738 3.655 30 20 CHED C#CCCN1CCC[C@@H]1c1ccc(Br)c(F)c1 797522883 HZGZJOSVAUPOOV-CQSZACIVSA-N 296.183 3.748 30 20 CHED C=CCCCOC(=O)[C@H](C)Oc1ccccc1Cl 735527118 HNRFIQPVOAINIO-NSHDSACASA-N 268.740 3.617 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H](CC)c1ccccc1 791143780 ZYZORYATBBOXJU-AWEZNQCLSA-N 297.320 3.594 30 20 CHED C=CC[C@@H](CC)Nc1nc2ccc([N+](=O)[O-])cc2s1 799324038 IFHQAACZJSCGRZ-SECBINFHSA-N 277.349 3.971 30 20 CHED Cc1cccc(OC(=O)c2cc(C#N)oc2C)c1Cl 797963445 OEMYYAOPETVJCN-UHFFFAOYSA-N 275.691 3.641 30 20 CHED CC(=NNCc1ccccc1N(C)C)c1ccccc1C 794950035 VSFKMAQXIBWNNR-UHFFFAOYSA-N 281.403 3.575 30 20 CHED C=CCCCCCN(C)C[C@H](O)c1ccc(F)cc1 739930192 JWBYVFARXQKBKX-INIZCTEOSA-N 265.372 3.537 30 20 CHED COCCN(C)N=C1CCC[C@H](C(C)(C)C)CC1 794963339 QQTMUMRETIMMRE-ZDUSSCGKSA-N 254.418 3.547 30 20 CHED CCOc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 695814287 FBLRLYNHYCNAFT-ZDUSSCGKSA-N 260.381 3.503 30 20 CHED C[C@@H]1CC[C@@H](C)N1c1cc(Br)c(C#N)cc1F 1162787500 WUPFGHROXVQGRE-RKDXNWHRSA-N 297.171 3.837 30 20 CHED N#Cc1cnc(N2CC[C@@H]3CCCC[C@H]3C2)c(Cl)c1 1321745218 ZGLZXMAXIAGZEF-STQMWFEESA-N 275.783 3.623 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](c1ccccc1)C1CCC1 1319459709 NVNCNDZJTJGLLW-SFHVURJKSA-N 296.414 3.583 30 20 CHED CCCC(=NNCC1CCOCC1)C1CCCCC1 1318641581 NKWBWCYQXBGVMQ-UHFFFAOYSA-N 266.429 3.739 30 20 CHED CC(=NNCc1ccc(F)cc1)c1sccc1C 1319739465 IDNGNXDZDAFGKR-UHFFFAOYSA-N 262.353 3.709 30 20 CHED CC(=NOC(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C 1326239259 GSZVSHODOMXCON-LBPRGKRZSA-N 284.400 3.577 30 20 CHED CC[C@@H]1CCN(c2ccc(C#N)c(Br)c2)[C@H]1C 1655393399 YYJIQLUWBFWRPX-WDEREUQCSA-N 293.208 3.946 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1csc(C)c1 1325317901 DIJMXRKLSSLIJX-UHFFFAOYSA-N 288.420 3.980 30 20 CHED CC(C)c1nc(C=NNc2cccc([N+](=O)[O-])c2)cs1 1323882280 IQBOJMCLMBCUHM-UHFFFAOYSA-N 290.348 3.621 30 20 CHED CC[C@H]1CCC[C@@H]1c1nnc(COc2ccc(C#N)cc2)o1 1329294801 CFKITJJQDLXKQT-ZFWWWQNUSA-N 297.358 3.814 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1OC)c1ccc(F)cc1 1323732009 ZFHLGRXPPXJUAJ-KRWDZBQOSA-N 298.361 3.947 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)c1csc(C#N)c1 1327932656 PHGREHDUXFLFEX-OAHLLOKOSA-N 298.411 3.761 30 20 CHED CCOc1cc(C=NOC(C)(C)C)cc(Cl)c1OC 1324559046 XVKUCYACXGBOJG-UHFFFAOYSA-N 285.771 3.896 30 20 CHED N#CCOc1ccc(NC/C=C\c2ccc(F)cc2)cc1 1254032744 AVNVTWZTDKPLHJ-UPHRSURJSA-N 282.318 3.853 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnc(C2CC2)s1 1337550064 HOQHUJUJDWNFKA-LBPRGKRZSA-N 276.405 3.591 30 20 CHED C=C(C)CCC(=O)N(C)CC1(c2ccccc2)CC1 1336445925 WXABOSCSIZIGSA-UHFFFAOYSA-N 257.377 3.533 30 20 CHED C[C@@H](CCC#N)CNCc1cnc(-c2ccccc2)s1 1332982271 SBUTULNBVSQRIZ-ZDUSSCGKSA-N 285.416 3.840 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C 1335713889 IRELOZQVLHMAQM-ZDUSSCGKSA-N 291.391 3.546 30 20 CHED Cc1cc(CSCC2(CC#N)CC2)ccc1N(C)C 1330686665 ZTYRHYIMFMKZCC-UHFFFAOYSA-N 274.433 3.988 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H]1c1ccsc1 1335398068 OKSRIWZUBIIJGE-MRXNPFEDSA-N 296.395 3.906 30 20 CHED CC[C@@H](C)c1nnc(-c2cc(C#N)ccc2Cl)o1 1261574798 KWIPEPBWGXCNAP-MRVPVSSYSA-N 261.712 3.775 30 20 CHED CCCC[C@@H](C(=O)[C@@H](C#N)c1cccc(F)n1)C(C)C 1344697931 KLZLVCDUXOTOTI-OLZOCXBDSA-N 276.355 3.859 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(Cl)n1 1344636801 DCONBVVXZWQVJL-NSHDSACASA-N 279.771 3.698 30 20 CHED CC1(C)C[C@@H](NC(=O)c2csc(C#N)c2)c2ccccc21 1344111858 PLTPVXNFRAHGOD-OAHLLOKOSA-N 296.395 3.772 30 20 CHED N#Cc1cccc(-c2nnc(-c3ccc(Cl)s3)o2)c1 1345951201 HGSWQKRFCAACHJ-UHFFFAOYSA-N 287.731 3.990 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1cc(OC)c(C#N)cc1F 1262102493 MZYKMXFYYUFHER-OAHLLOKOSA-N 296.317 3.563 30 20 CHED Cc1cc(C(=O)O[C@H](CC#N)c2ccco2)c(C)s1 1350311607 MVAKANMCHDZGLW-CYBMUJFWSA-N 275.329 3.770 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C)cc1C#N 1275030305 SBVDPTJCDLUYJG-DYVFJYSZSA-N 270.376 3.565 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CC[C@H](C)C[C@H]1C 1360578205 ZSVWOJMDAMQEIL-HWWQOWPSSA-N 271.360 3.848 30 20 CHED C=C[C@H](C(=O)N(C)[C@@H](C)C1(C)CC1)c1ccccc1 1521244970 YKNPDPOBXXZUGR-ZFWWWQNUSA-N 257.377 3.603 30 20 CHED N#Cc1ccc(Oc2cccc(Nc3nccs3)c2)nc1 1458201192 VDDDQXAGDXQFFZ-UHFFFAOYSA-N 294.339 3.946 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(c2ccnc(C#N)c2)C1 1458227295 MMVIMMWTPRQLDA-YVEFUNNKSA-N 281.334 3.680 30 20 CHED N#Cc1cc(C(=O)Nc2cncc(Cl)c2Cl)cs1 1527422543 XIGFETJFCHCODY-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CC[C@H](C#N)N(CC)C(=O)Cc1c(Cl)cccc1Cl 1536521792 PFLZOAIMQGNYBR-SNVBAGLBSA-N 299.201 3.687 30 20 CHED C[C@@H](OC(=O)c1cc2ncccc2o1)c1ccc(C#N)cc1 1531747627 NIKBFCOTNMLEHQ-LLVKDONJSA-N 292.294 3.617 30 20 CHED COc1cc(OCc2ccc(F)cc2Cl)ccc1C#N 1473023370 YGDRBHJTZASUMG-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CCN(CCc1ccccc1)c1ncc(Cl)c(C)c1C#N 1472659201 MFHJLQFARVUSQH-UHFFFAOYSA-N 299.805 3.984 30 20 CHED Cc1cc(SCc2ccc(CO)cc2)ccc1C#N 1614553030 NZOSVYXDVQFJKH-UHFFFAOYSA-N 269.369 3.651 30 20 CHED COc1cc(CN2C[C@@H](C(C)C)[C@H]2C(C)C)ccc1C#N 1621334770 WDKRORFVRRYZNI-FUHWJXTLSA-N 286.419 3.679 30 20 CHED CC(C)[C@H](CN1CCC[C@@H](C#N)C1)c1ccccc1 1621519763 ZWAYDTBFUBCRKO-RDJZCZTQSA-N 256.393 3.662 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CCC[C@H](SC)C1 1560744325 KIQPGLYBVAEHSO-OLZOCXBDSA-N 276.405 3.653 30 20 CHED COc1cc(Cl)ccc1COc1ccc(C#N)c(F)c1 1640923876 GUYYFKBPLAYJSA-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C=CCCCCCCNCc1ccc(C(=O)O)c(C)c1 1573367306 UIJAZZYHCJJPHX-UHFFFAOYSA-N 275.392 3.919 30 20 CHED CC1CC(CNc2nccc(Oc3cccc(C#N)c3)n2)C1 1651273665 BZYCDGXTUFJDPA-UHFFFAOYSA-N 294.358 3.599 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CC[C@@H](C(=O)O)C1 1589644827 AYPXBDZGAJLKIY-HUUCEWRRSA-N 297.439 3.696 30 20 CHED Cc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1F 1650999133 WUOSCLGHZRUZIW-UHFFFAOYSA-N 288.753 3.949 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2oc(C(=O)O)cc2c1 1588681617 BJFQZDLLJJAEQB-INIZCTEOSA-N 287.315 3.672 30 20 CHED Cc1cc(F)cc(C(=O)N2CCCc3cc(C#N)ccc32)c1 1583468136 ZJRHEZJXXFFNBS-UHFFFAOYSA-N 294.329 3.599 30 20 CHED Cc1ccccc1C(C)(C)C(=O)Nc1cc(C#N)ccc1F 1584674885 UIGRLTAILLYWKO-UHFFFAOYSA-N 296.345 3.922 30 20 CHED CC[C@H](NCc1ccc(C#N)c(C)c1)[C@H]1CC1(C)C 1662686996 XPJFZIQVSXRGLL-CVEARBPZSA-N 256.393 3.781 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)c(F)cc1F 1595652837 IJRUOGPKLRVHDP-JTQLQIEISA-N 292.329 3.991 30 20 CHED CC(C)(C)c1cncc(C=NNc2ccccc2C(=O)O)c1 1776031346 BQLFHUMSAFNNQS-UHFFFAOYSA-N 297.358 3.523 30 20 CHED Cc1ccc(Cl)cc1NN=Cc1csc(C(=O)O)c1 1776106660 OXKCZSYZYDVREE-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=CC[C@H]1CCCN(Cc2cc(C(=O)O)sc2Cl)C1 1776165150 NJFCAYAOHMYGJC-JTQLQIEISA-N 299.823 3.888 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)o2)cc1 1776114112 GEUIKLQFVKMQBM-GOOGBFEESA-N 282.295 3.582 30 20 CHED C=C[C@H](C)ON=C(C)c1sc2ccccc2c1C(=O)O 1776090681 UUOGHXGMEOUMJQ-VIFPVBQESA-N 289.356 3.915 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OC/C=C/c1ccccc1 11249521 AFKJYNPFZQGENQ-UXKPLKHMSA-N 289.334 3.828 30 20 CHED Cc1cccc(NC(=S)Nc2ccc(CC#N)cc2)c1 18145494 AHXJDTMDDFWDCZ-UHFFFAOYSA-N 281.384 3.870 30 20 CHED C#CCN(Cc1c(CC)noc1C)[C@H]1CCc2ccccc21 162867701 UTMVNPYHIXKBHC-IBGZPJMESA-N 294.398 3.668 30 20 CHED Cc1cc(F)c(C(=O)Nc2ccc(CC#N)cc2)cc1F 160124130 GQYBLNMRVXIYSB-UHFFFAOYSA-N 286.281 3.592 30 20 CHED N#CCCCOc1cccc(CN[C@@H]2C=CCCC2)c1 151174600 SRQUPGHMRCHOQT-MRXNPFEDSA-N 270.376 3.567 30 20 CHED C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(C)(C)C#N 152806820 XKTPMXJGRHXXJU-VIFPVBQESA-N 299.201 3.590 30 20 CHED CC[C@@H]1CCCCN1C(=O)c1ccc(C#N)c(Cl)c1 153468431 OHNJKUBLRJHTLG-CYBMUJFWSA-N 276.767 3.616 30 20 CHED N#Cc1cc(N(Cc2cccs2)C2CC2)ccc1[N+](=O)[O-] 157649994 FSCHIXKJIOTLSW-UHFFFAOYSA-N 299.355 3.697 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)NC(C)(C)C#N)cc1 159523255 WVJIEXOPRFLPPH-ZDUSSCGKSA-N 272.392 3.722 30 20 CHED CN(CC1CCCC1)c1c(Br)cccc1C#N 1306944963 IZQUKTUIVUFUMW-UHFFFAOYSA-N 293.208 3.947 30 20 CHED C=C(C)CN(CC)Cc1csc(-c2ccco2)n1 55472445 KNAYETANPOBBSI-UHFFFAOYSA-N 262.378 3.801 30 20 CHED N#Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1Cl 37393169 XXOREQONMZXMGH-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C=CCN(CCCCn1ccnc1C)Cc1ccccc1 163500477 QXNMMCKOQJBVTA-UHFFFAOYSA-N 283.419 3.660 30 20 CHED Cc1nc(C#N)cc(Oc2cc(C(C)C)ccc2C)n1 308277214 HZCGTHVOAOJIRL-UHFFFAOYSA-N 267.332 3.881 30 20 CHED CC1(C)CCC(C(=O)N2CCC(CCC#N)CC2)CC1 335502267 XXCYAOYXJYMFNN-UHFFFAOYSA-N 276.424 3.745 30 20 CHED N#CCC1CCN(Cc2cc(F)ccc2Cl)CC1 335876733 IEHKJYZVZPWQNA-UHFFFAOYSA-N 266.747 3.605 30 20 CHED C=CC[C@@H](C)NC1CCC(CNC(=O)OC(C)(C)C)CC1 496457033 IDECHPIALJMNSP-WLYUNCDWSA-N 296.455 3.624 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cnn(-c2ccccc2)c1 393817248 YRTSLRCGQSPTRP-ZBFHGGJFSA-N 269.392 3.878 30 20 CHED Oc1cccc(C=NNc2cccc(C(F)(F)F)c2)c1 916259692 FANHMINPTBZQIQ-UHFFFAOYSA-N 280.249 3.857 30 20 CHED CN(CCC#N)C(=S)Nc1cc(Cl)cc(Cl)c1 7325633 JKAYGSBKJHKYNT-UHFFFAOYSA-N 288.203 3.536 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 10516475 LCEILFSXRJADCN-HUUCEWRRSA-N 296.757 3.954 30 20 CHED Cc1ccc(C#N)c(NCc2coc3ccccc23)n1 346821961 ZCIIMSKKJFSAOT-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CC(C)n1cc(C(=O)/C=C/C=C/c2ccccc2)cn1 58465274 NRPWCMDWZHXYOA-JMQWPVDRSA-N 266.344 3.916 30 20 CHED N#Cc1cccc(/C=C2\CCOc3ccccc3C2=O)c1 102971135 NXSPLLVDXVMFBY-RVDMUPIBSA-N 275.307 3.607 30 20 CHED C#CCCCN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 178062508 PYQRZQOLPZKVMM-CQSZACIVSA-N 283.293 3.576 30 20 CHED Cc1ccccc1CCC(=O)N[C@H](C#N)C1CCCCC1 51967841 XWQIRUYAGPBIPK-QGZVFWFLSA-N 284.403 3.516 30 20 CHED C=CCCCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 175725356 GMVREVRSSRWKFU-DLBZAZTESA-N 271.404 3.870 30 20 CHED C[C@H]1CCC[C@H]1NCc1cccc(OCCCC#N)c1 105504977 DECVIRUJDBRAPK-WMLDXEAASA-N 272.392 3.647 30 20 CHED C=CCCC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 116031973 APUNLCKRHOYVKE-FQEVSTJZSA-N 293.432 3.639 30 20 CHED CCN(C)Cc1cccc(CNCC(C)(C)CCC#N)c1 174351628 YPJJOLWBPBNLCV-UHFFFAOYSA-N 287.451 3.558 30 20 CHED CCn1cc(/C=C2\COc3ccc(C(C)C)cc3C2=O)cn1 111998833 XSFNZSOXIGVACI-VIZOYTHASA-N 296.370 3.685 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)cc1)c1ccc(F)cc1 103221253 SPKXEBFPTIBYCF-UHFFFAOYSA-N 297.329 3.718 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)c1 59270150 YJAGMWCLFLOCNR-MDZDMXLPSA-N 299.333 3.640 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccc(C#N)c1 112184038 FVPHTDKSIFLLPU-UHFFFAOYSA-N 282.387 3.767 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)CCC#N 115344238 ADLVEKUVERFXSR-OAHLLOKOSA-N 264.413 3.601 30 20 CHED COc1ccc([C@@H](C)[C@@H](C)NCc2cccc(C#N)c2)cc1 177579419 RJLYITYLIVCXPE-LSDHHAIUSA-N 294.398 3.849 30 20 CHED CCN(Cc1csc(-c2ccc(C)o2)n1)C[C@@H](C)C#N 64249285 MCRDJBOKZGFSKE-NSHDSACASA-N 289.404 3.693 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1ccc(F)cc1C 1348716229 IOTXKHNKSVWGKJ-OAHLLOKOSA-N 261.340 3.764 30 20 CHED CC(C)(C)C[C@@H](O)C/N=C/c1c(O)ccc2ccccc12 172156778 YIZDXVDVILNXDN-ONDHQXCVSA-N 285.387 3.761 30 20 CHED C=C(C)CN[C@H](C)c1cccc(OCc2ccccn2)c1 179697112 WAMCYKILXIULGK-OAHLLOKOSA-N 282.387 3.887 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCC(F)(F)F 173358606 MTMKDWWJXSPMBV-UHFFFAOYSA-N 277.330 3.924 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)cc1 62904545 SNPDTVIBQJXHKN-UHFFFAOYSA-N 294.329 3.526 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C1(C#N)CCCCC1 175759432 PPDSUUVHCBPCQX-WBVHZDCISA-N 296.414 3.865 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CC1CCC1 175786669 HWWZZSLVKJNUAR-UHFFFAOYSA-N 271.364 3.509 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]3OCCC[C@H]32)cc1C(F)(F)F 302552454 KEYYFGGIFCSOTP-YUTCNCBUSA-N 296.292 3.556 30 20 CHED CSCc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 66550715 VYRDGNNPMJRWOS-UHFFFAOYSA-N 296.395 3.602 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cnn(C(C)C)c1)CO2 171981948 BCPNLSSXWSDCPX-CHHVJCJISA-N 296.370 3.740 30 20 CHED CCO[C@H](CCNc1c(C#N)cnc2ccccc12)C(C)C 301424862 GPHQMRWBTBEHGD-QGZVFWFLSA-N 297.402 3.970 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cccc(C)c2)c1C 65722748 OOGWFHFRBQNBMM-MDZDMXLPSA-N 268.360 3.724 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(C#N)cc1F 174039380 JZFOEXXYBXWUHE-GFCCVEGCSA-N 280.412 3.661 30 20 CHED N#Cc1ccc(N[C@H](CN2CCCC2)c2ccccc2)cc1 301092347 NALFQFQMPMNACO-LJQANCHMSA-N 291.398 3.807 30 20 CHED C[C@H](OC(=O)c1ccc(F)cc1)c1ccc(C#N)cc1 175796062 ACVVNGKOJRKCIK-NSHDSACASA-N 269.275 3.615 30 20 CHED C[C@H](N[C@@H](C)c1ccc(F)cc1O)c1ccc(C#N)cc1 62746766 VPHQRPKUZSTEKZ-RYUDHWBXSA-N 284.334 3.815 30 20 CHED C#CCCOc1c(C(C)=O)ccc(Cl)c1Cl 178167844 ZETDMIUTHXUILH-UHFFFAOYSA-N 257.116 3.598 30 20 CHED CCN(Cc1cccc(Cl)c1)c1cccc(C#N)n1 301556135 WRFBKPPLPNQPRH-UHFFFAOYSA-N 271.751 3.633 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1C1CCCC1 125832937 VNWBAVSDCUUXFH-MRXNPFEDSA-N 261.409 3.936 30 20 CHED N#Cc1c(NCCC2=CCCCC2)nc2ccccn12 302123386 YVRIEZAOWNIYTL-UHFFFAOYSA-N 266.348 3.508 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC(C)C 124747724 NWIMXAMALMLVBM-UHFFFAOYSA-N 286.828 3.755 30 20 CHED C=CCC[C@H](NCc1sc(C)nc1C)C1CC1 121373135 WMWIHXHIUBWVFB-ZDUSSCGKSA-N 250.411 3.594 30 20 CHED CC[C@H](Nc1snc(Cl)c1C#N)c1c(C)noc1C 301820239 JJVFCKCASQHCGU-VIFPVBQESA-N 296.783 3.836 30 20 CHED C/C=C(\C)C(=O)[C@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 127886709 PWLQBBRWVCVRLX-FXJBMRJASA-N 298.386 3.814 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)o1 189514076 VLXLRNNYHCYVEU-JKSUJKDBSA-N 280.371 3.652 30 20 CHED C#CCCCCC(=O)Oc1c(C)cccc1Cl 121194338 XJXPJGAIFCGHTC-UHFFFAOYSA-N 250.725 3.747 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2OC)cc1 33397118 ZSXLQEAUXLJRSQ-XFXZXTDPSA-N 268.312 3.600 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(Cl)cn1 128459759 RMNHAWPUUJUCSL-UHFFFAOYSA-N 292.791 3.625 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 185623851 WEGGAGKYIFQBAT-JKSUJKDBSA-N 283.415 3.749 30 20 CHED C[C@@H](NC[C@H]1[C@H]2Cc3ccccc3[C@H]12)c1cccc(C#N)c1 182027355 YCPNWPCVOUMQSG-YFMMTPMMSA-N 288.394 3.795 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCc2c[nH]c3ccccc23)C1 185817197 QSOPPBQQWYDICF-GOEBONIOSA-N 281.403 3.772 30 20 CHED COc1ccc(C)cc1CNc1cccc(OCC#N)c1 37069707 CMLBQXBVXHSVDB-UHFFFAOYSA-N 282.343 3.518 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)c1cccnc1 37777372 RZOLXNCKKRWXFV-CQSZACIVSA-N 281.359 3.937 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnc(Cl)cc1C 188884273 YINBGFGOXSKBKV-CYBMUJFWSA-N 252.745 3.584 30 20 CHED N#Cc1ccc(SCCO[C@H]2CCCCO2)c(Cl)c1 187692757 BWKMXADPGVSTHZ-AWEZNQCLSA-N 297.807 3.847 30 20 CHED Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)ccc1Cl 434016616 NOAAUHHIWMBTIX-CQSZACIVSA-N 290.794 3.803 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1c(C)cnn1-c1ccccc1 185998922 DCEQMFKNKXILJE-CYBMUJFWSA-N 283.375 3.722 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ccc2[nH]ccc2c1 182639451 CFDBNVSTROHAKU-AWEZNQCLSA-N 284.403 3.962 30 20 CHED C[C@H](c1ccccn1)N(C)CCC1(C#N)CCCCC1 411431141 ZLLIFMJLGLGCCJ-OAHLLOKOSA-N 271.408 3.939 30 20 CHED N#CCCCOC(=O)CC1(CSc2ccccc2)CC1 186161985 JRCGAPCMPNABIJ-UHFFFAOYSA-N 289.400 3.796 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F 506789551 MJXROQGTEIYSFF-IINYFYTJSA-N 298.308 3.822 30 20 CHED C#Cc1cccc(NCc2cc3c(cc2OC)C[C@H](C)O3)c1 316519762 WBAQLXWAZRALLW-ZDUSSCGKSA-N 293.366 3.612 30 20 CHED C=C(C)[C@@H](N[C@H]1CCSC1)c1ccc(F)c(F)c1 186453265 VIOCRRAMJVMORM-SMDDNHRTSA-N 269.360 3.677 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)CCc1cccc(F)c1 410140265 QFRZNGPAJJMXRF-CZUORRHYSA-N 277.383 3.865 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc(OCCF)c2)C1 185750079 PWENUTWNWDKGJC-CHWSQXEVSA-N 262.328 3.529 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 188434073 LOFBMENBKJYKMN-CRAIPNDOSA-N 289.394 3.819 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 410133616 ZLBGJIKJWXWJMK-ZNMIVQPWSA-N 277.795 3.914 30 20 CHED CCSc1cccc(/C=C/C(=O)c2cnn(CC)c2)c1 184757540 UNDJCONQOCSMHW-CMDGGOBGSA-N 286.400 3.911 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cc3c(cc2Cl)OCCO3)C1 185876448 ZODLSUWGQVETFP-MNOVXSKESA-N 292.766 3.605 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCC1CC1 413842806 YMLNLMVXOSKGJA-KRWDZBQOSA-N 286.419 3.615 30 20 CHED C=CC[C@H](C(=O)NC[C@@H](CC(C)C)OC)c1ccccc1 416071449 ZPIPVVFQFKAQFH-SJORKVTESA-N 289.419 3.524 30 20 CHED Cn1c(SCCCC#N)nc2cc(Cl)ccc21 212987341 AJHBSBMJWWJNFJ-UHFFFAOYSA-N 265.769 3.623 30 20 CHED Cc1ccc(OC(F)F)c(CN[C@@H]2CCC[C@H](C#N)C2)c1 185856655 RTQDXNQDMVXILV-GXTWGEPZSA-N 294.345 3.768 30 20 CHED N#Cc1cnc(N2CCCC[C@@H]2c2ccccc2)c(F)c1 413221831 AAOKWJZPQQDUEV-MRXNPFEDSA-N 281.334 3.824 30 20 CHED CSC1(CNc2nc(C)c(C#N)cc2Cl)CCC1 336793475 WWCIMXYOABHWGM-UHFFFAOYSA-N 281.812 3.613 30 20 CHED N#CC1(CCN[C@@H]2CCCC23CCOCC3)CCCCC1 411697558 WDDRFJNYZPGKFK-MRXNPFEDSA-N 290.451 3.789 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2ccc3ccccc3n2)CCC1=O 328911594 GMOAZHFMMSUQQD-WCQYABFASA-N 282.343 3.828 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)[C@H]1CCCC[C@H]1C 509510818 YIKBOPQHUNRICQ-DYVFJYSZSA-N 284.403 3.908 30 20 CHED C=CCC[C@@H](NC(=O)c1ccnn1C(C)C)c1ccccc1 133959801 OPTLHGBAOSUEIH-MRXNPFEDSA-N 297.402 3.901 30 20 CHED C=CCC1(C(=O)NCCc2c(C)[nH]c3ccccc23)CCC1 191054623 VETOJPBEOJZKJU-UHFFFAOYSA-N 296.414 3.881 30 20 CHED N#CC1CCN(/C(O)=N/[C@H]2CCCCC23CCCC3)CC1 329636241 UZYOXGLZVCSQST-HNNXBMFYSA-N 289.423 3.639 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)nc1 424748074 NZUKAUPPYIDZLQ-UHFFFAOYSA-N 272.270 3.641 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(F)cc2)cc1 49900985 RPJSCEWHSNAFQS-KRWDZBQOSA-N 296.345 3.725 30 20 CHED O/C(=N/[C@H]1CC12CCCCC2)c1cccc2nccnc12 329464223 UNXNXMSNCFDMRR-AWEZNQCLSA-N 281.359 3.657 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1sccc1C#N 518876682 UUHOXKNZTKIOIR-QWRGUYRKSA-N 262.378 3.775 30 20 CHED Cc1cc(C#N)ccc1OCc1ncc(C(C)(C)C)o1 131395142 FTKSSZRNEVIZAG-UHFFFAOYSA-N 270.332 3.731 30 20 CHED C=CCC1(C(=O)N2CCc3ccc(OCC)cc3C2)CCC1 190681193 LOBIZVQINBAXRN-UHFFFAOYSA-N 299.414 3.716 30 20 CHED CCOc1ccccc1/C=C1/Oc2cc(O)cc(C)c2C1=O 41248361 AHHUTCORPADQSE-CXUHLZMHSA-N 296.322 3.716 30 20 CHED CC(C)(C#N)CCCNc1cc(F)c(F)c(F)c1 87598176 PZEIIWCJBLTYHM-UHFFFAOYSA-N 256.271 3.846 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cccc(COC)c2)no1 424331879 BEDSDEXIKGZCNG-UHFFFAOYSA-N 272.348 3.737 30 20 CHED Cc1ccc([C@@H](C)Nc2ncc3c(c2C#N)CCC3)o1 425202657 QCTVNWNZWPDIDR-LLVKDONJSA-N 267.332 3.517 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(O)c2nc(C)ccc12 338368912 OEFBIGGCCCMOSX-OAHLLOKOSA-N 282.387 3.789 30 20 CHED CC(C)(C)C(=O)CSCc1ccc(F)cc1C#N 83096324 MFIXLOUINDHEMH-UHFFFAOYSA-N 265.353 3.546 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1Cl 191123560 BAAVNTJZSQFRNE-SNVBAGLBSA-N 291.757 3.540 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)c(OC)cc1F 424723097 OXORHBSLPURKKC-UHFFFAOYSA-N 269.291 3.514 30 20 CHED C=C(C)CN1CCC(NCc2cccc(C3CC3)c2)CC1 421330242 WUWAKDFOMBISMC-UHFFFAOYSA-N 284.447 3.694 30 20 CHED Cc1cc(C)nc(NCc2ccc(F)c(C#N)c2Cl)c1 428882872 SROQBOJFLBJGMH-UHFFFAOYSA-N 289.741 3.975 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)C(=C)C 425457950 ZRGSEZWCUHQYOW-UHFFFAOYSA-N 287.403 3.812 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ccccc2F)c1 335138364 BSFKZBGXHHVUFB-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@@H]1CCCC[C@@H]1NC1CCN(c2ccc(C#N)cc2)CC1 514098443 GWRKBNKGPFVKHS-BEFAXECRSA-N 297.446 3.695 30 20 CHED Cc1c(C(=O)N(C)Cc2ccc(C#N)cc2)ccn1C(C)C 338805098 GERBQROIPCZLAO-UHFFFAOYSA-N 295.386 3.521 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc(F)ccc1Cl 335934979 QZCLSIFFNUTKHK-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCCN[C@H](C)CCc1c(F)cccc1F 510996751 UJIAVDYXFOONOH-GFCCVEGCSA-N 253.336 3.842 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCC(F)(F)C2)nc1 291895018 PJOFADITOIYABV-NSHDSACASA-N 265.307 3.581 30 20 CHED C=CCCC(=O)Nc1ccnc(Sc2ccccn2)c1 338646641 APGGOUYDOWIIIP-UHFFFAOYSA-N 285.372 3.533 30 20 CHED Cc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccn1 334529934 DZLXETQODHEDAT-LJQANCHMSA-N 291.398 3.819 30 20 CHED C[C@@H](CCC1CCCCC1)NCc1ccc(C#N)o1 237548530 TZPPSIRZGSVIEN-ZDUSSCGKSA-N 260.381 3.990 30 20 CHED CCC[C@H](C)N(C)C(O)=Nc1cc(C)c2c[nH]nc2c1 330740396 APIXDPXLKNYDLO-NSHDSACASA-N 274.368 3.537 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CC1CCCC1 436293952 WKQUIBPPRVUYJJ-BMFZPTHFSA-N 251.414 3.526 30 20 CHED Cc1cc(Cl)cnc1NC(=O)[C@H](C)c1cccc(C#N)c1 336475156 LYFIMYKWMJIRPL-LLVKDONJSA-N 299.761 3.657 30 20 CHED COCc1ccc(NC2CCC(C(F)F)CC2)cc1C#N 529644550 OPCJOHTXSDXQCX-UHFFFAOYSA-N 294.345 3.940 30 20 CHED N#Cc1csc(CNc2cc(F)ccc2F)c1 93684980 LFWDETBSJJUENO-UHFFFAOYSA-N 250.273 3.510 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@H](CC)C1 435742754 OKHXHGAFLNSDKR-FZKCQIBNSA-N 251.414 3.526 30 20 CHED C=CCC[C@H](NC(=O)c1ccn(C(C)C)n1)c1ccccc1 435291939 WEDDSLAVVFQGPU-INIZCTEOSA-N 297.402 3.901 30 20 CHED C=C1CCN(C(=O)C2(c3cc(C)cc(C)c3)CC2)CC1 520823864 IZUTVTXCHHVUMH-UHFFFAOYSA-N 269.388 3.514 30 20 CHED C=CCCCC(=O)Nc1ccc(Oc2cccnc2)nc1 340677713 QKUBEBVYJZIERV-UHFFFAOYSA-N 283.331 3.564 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C(C)(C)C#N 245542784 LNCJXCQLYSQEDM-LEWSCRJBSA-N 291.778 3.925 30 20 CHED CC(C)CCN(CCC#N)c1nc(C(F)(F)F)cs1 434958670 HAKZCLJFZNIQEH-UHFFFAOYSA-N 291.342 3.928 30 20 CHED C=CCC[C@@H](NC(=O)COc1ccccc1)c1ccccc1 435279054 OFNNLJMLMRYMMN-GOSISDBHSA-N 295.382 3.889 30 20 CHED C=CC1CCN(C(=O)c2ccc3sccc3c2)CC1 348764082 NCDCXVGNNRKNAN-UHFFFAOYSA-N 271.385 3.940 30 20 CHED Cc1ccnc(NCC2(Sc3ccccc3)CC2)c1C#N 343482138 UZYJHFLHRBLEAC-UHFFFAOYSA-N 295.411 3.999 30 20 CHED C[C@H](C#N)Oc1ccc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1 248373320 HYCQNNPASQMFRF-SFUIVIKGSA-N 298.430 3.988 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 343564793 PGWRPJRBUFSNFO-SNVBAGLBSA-N 268.282 3.660 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](C)C[C@@H]1c1ccco1 602483471 RBIRGJSXGNPDRX-QLFBSQMISA-N 260.381 3.992 30 20 CHED C=C(C)COCCN[C@@H](c1ccc(C)o1)C1CCC1 349534072 HELNVSAJLIIWKY-MRXNPFEDSA-N 263.381 3.612 30 20 CHED CC[C@H](CC#N)NC(=O)c1cccc2c1ccn2CC(C)C 346537063 JCBHUQRMAWJFMV-CQSZACIVSA-N 297.402 3.719 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)s1 345801202 UHVSOVFUZMDYEE-VWYCJHECSA-N 296.823 3.513 30 20 CHED COc1cccc(NCCCC2(C#N)CCOCC2)c1C 600576388 AJVRSIBIDHLUMN-UHFFFAOYSA-N 288.391 3.516 30 20 CHED C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(CC#N)CC1 527053366 IWUXDBYPZAFZKK-KAMYIIQDSA-N 299.374 3.624 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](CC1CCCC1)C(C)C 524206195 YANMYJOXZAHPNU-DZGCQCFKSA-N 251.414 3.920 30 20 CHED Cc1c(C#N)c(S[C@H](C)c2cccnc2)nc2c1CCC2 341590471 OQJAJAVUXHFESG-GFCCVEGCSA-N 295.411 3.999 30 20 CHED CN(CCc1cccc(C(F)(F)F)c1)CC(C)(C)C#N 600167988 ICPJJWZHPYEUDG-UHFFFAOYSA-N 284.325 3.729 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 521781497 YAESZPKQCOMMID-YQVWRLOYSA-N 292.382 3.752 30 20 CHED N#Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1F 51637523 KXKRADWKTODIBT-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@H]1c2ccsc2CCN1CC#Cc1ccc(F)cc1 448455166 BUEGCGMPWGPANK-ZDUSSCGKSA-N 285.387 3.858 30 20 CHED Cc1ccc(C[C@H](C)NC[C@H](C)CCC#N)c(C)c1 602545706 NYUMBAWOZNEKJH-ZBFHGGJFSA-N 258.409 3.764 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)c1ccccc1CC#N 601599083 PHAJXNZIICUFTK-UHFFFAOYSA-N 272.392 3.555 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 538286832 QNBVOVQRYDVHBS-LIRZEXBASA-N 298.430 3.616 30 20 CHED C=C(C)CCc1noc(-c2cc(C)n([C@H](C)CC)n2)n1 351622509 JXSXVCQCMQIQMK-LLVKDONJSA-N 274.368 3.721 30 20 CHED N#CC1(CN[C@H](c2ccc(F)cc2)C2CCCC2)CC1 538391705 QBPAZMAZQDQDLQ-INIZCTEOSA-N 272.367 3.950 30 20 CHED CCN(Cc1cccc(OCCCC#N)c1)CC1CCC1 355614123 ZXQVZAAQTFGSPL-UHFFFAOYSA-N 286.419 3.991 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)CC(C)C)oc2c(F)cccc12 608820342 CDCQNSFBVUTPST-LLVKDONJSA-N 288.322 3.548 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1ccccc1OC(F)F 602507711 QUUYAKZABZTMJK-NWDGAFQWSA-N 282.334 3.878 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)c(C)c2)c(C)c1 447291003 UBXKZXUVLHUINA-UHFFFAOYSA-N 279.339 3.957 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(CC#N)cc1 448594299 LGVXQWJBVHNRDZ-WBMJQRKESA-N 256.349 3.517 30 20 CHED CCSCc1cccc(NC(=O)[C@](C)(C#N)CC)c1 353234281 XSPGRSXLCAOVNL-HNNXBMFYSA-N 276.405 3.818 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccccc1NC1CCCCC1 530368417 DGQKKSCXTUOUGL-AWEZNQCLSA-N 299.418 3.663 30 20 CHED CC(C)(C)OCCCCN1CCCC(C)(C)[C@H]1C#N 444724056 BZXIGVXMNPAFNY-CQSZACIVSA-N 266.429 3.596 30 20 CHED C[C@@H](NCc1scnc1C1CC1)c1cccc(C#N)c1 618725778 FQILFZXHJUNSPD-LLVKDONJSA-N 283.400 3.743 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@@H](C)c1cc2ccccc2o1 533877214 ZPWAXINYHIGSFE-SCLBCKFNSA-N 298.386 3.981 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2c(Cl)cccc2C#N)CCO1 536660946 RCTTXZYBPBIKDX-OCCSQVGLSA-N 278.783 3.827 30 20 CHED N#CC1(CN(Cc2ccccc2Cl)CC2CC2)CC1 352240326 GHMVGEMSCDVVGJ-UHFFFAOYSA-N 274.795 3.856 30 20 CHED C=C(CC)CN(CC)[C@@H](COC)Cc1ccccc1 538002633 PGAHOVVEOBRYMG-QGZVFWFLSA-N 261.409 3.532 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C1=CCCCCC1 618787787 NSUFSQQEWBNTSK-QGZVFWFLSA-N 280.371 3.552 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 535610565 PYVQXWWNIUFHER-XEZPLFJOSA-N 264.413 3.647 30 20 CHED CO[C@@H](CNc1cccc(CC#N)c1)Cc1ccc(F)cc1 530112671 FQQPURSJKITJSM-GOSISDBHSA-N 298.361 3.561 30 20 CHED N#CCn1c(/C=C\c2cc(C#N)cs2)nc2ccccc21 352005296 COSVDCPMINFSHF-WAYWQWQTSA-N 290.351 3.663 30 20 CHED C=CCC1(NC(=O)CCCC(=O)C(C)(C)C)CCCC1 619110701 NSSWJERCFGOUCK-UHFFFAOYSA-N 279.424 3.777 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1ccccc1)c1ccc(F)cc1 538196090 WZASAEVTHDUISX-BEFAXECRSA-N 299.389 3.689 30 20 CHED C=CCCc1noc(Cc2ccccc2C(F)(F)F)n1 453245714 HZUYOHSYKYSSCV-UHFFFAOYSA-N 282.265 3.798 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cc(C)cc(C#N)c1 455959902 VZILWWLCLIOVPN-ZDUSSCGKSA-N 273.380 3.909 30 20 CHED Cc1ccsc1CN(C)C(=O)Nc1cccc(CC#N)c1 455911000 DDECHWZHPSBJAS-UHFFFAOYSA-N 299.399 3.787 30 20 CHED CN(C/C=C/c1ccc(F)cc1F)Cc1ccc(C#N)cc1 612576534 VLXSNCLFDGAPFZ-NSCUHMNNSA-N 298.336 3.982 30 20 CHED C=CCC[C@@H](N[C@@H]1CCc2nc(C)ncc2C1)c1ccco1 367603293 YWPQVSOXNZZBEV-NVXWUHKLSA-N 297.402 3.532 30 20 CHED C[C@H](c1ccc2ccccc2c1)N1CC[C@@](F)(C#N)C1 615638823 JANMMFTUMQVPQW-CXAGYDPISA-N 268.335 3.838 30 20 CHED CC[C@@H](C)CCCCC(=O)N1CCC[C@@](C)(C#N)C1 612251123 NECNOJFUBDAMHG-ZBFHGGJFSA-N 264.413 3.745 30 20 CHED Cc1ccc(-c2ncc(CN(C)C[C@@H](C)C#N)s2)cc1 271116826 FUWAECFVLAYAAH-ZDUSSCGKSA-N 285.416 3.710 30 20 CHED C[C@H]1C[C@]1(NCC1(C#N)CCC1)c1ccc(Cl)cc1 450929263 UCJPVQIWNATEBG-BLLLJJGKSA-N 274.795 3.859 30 20 CHED Cc1c(Cl)ccc2ccc(=NCC(C)(C)C#N)[nH]c12 611617841 FWAZXLHABZYGIV-UHFFFAOYSA-N 273.767 3.580 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@H]1CCc2ccccc21 452294861 IHNRUCMKLOLNQM-OAHLLOKOSA-N 271.404 3.825 30 20 CHED Cc1occc1CNc1nc(C(C)(C)C)ccc1C#N 613415909 IPFROJVDJJZXFR-UHFFFAOYSA-N 269.348 3.764 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2ccc(CC#N)cc2)cc1 270268940 PUYOYQDEGKNSNA-HNNXBMFYSA-N 292.382 3.894 30 20 CHED COc1cc(C#N)ccc1NC(=O)NCCC1=CCCCC1 545999885 VQJWMICPPKUHMN-UHFFFAOYSA-N 299.374 3.579 30 20 CHED N#CC1(CN[C@H](Cc2ccccc2)c2cccs2)CC1 544412283 KFSABLQLRRVHNW-OAHLLOKOSA-N 282.412 3.925 30 20 CHED Cc1cc(F)cc2c(N(C)Cc3ccoc3)c(C#N)cnc12 360973168 IBDUKDSXZNTTOX-UHFFFAOYSA-N 295.317 3.783 30 20 CHED C=C(C)CN1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F 451835501 GCRUTHKWJSJPBM-DTWKUNHWSA-N 275.236 3.768 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)NCC(C)(C)CCC#N)C1 454957733 KJZZSIMJLKCTAV-AWEZNQCLSA-N 293.455 3.784 30 20 CHED N#Cc1ccc(CCc2nc(-c3ccccc3F)no2)cc1 545591008 FCXBWRVDQDQDMM-UHFFFAOYSA-N 293.301 3.533 30 20 CHED C=CCCC1(C(=O)N2CCc3ccccc3[C@H]2C)CC1 361756367 UKGVZFORHDLGNW-CQSZACIVSA-N 269.388 3.879 30 20 CHED Cc1nc(NCc2ccc3c(c2)COC3)c(Cl)cc1C#N 360055426 VJZAXQMVRBWKQF-UHFFFAOYSA-N 299.761 3.557 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2cc(C(C)=O)ccc2C#N)C1 273266056 YUKWTRCCAZNYAH-HUUCEWRRSA-N 288.416 3.847 30 20 CHED N#CCc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1 270296953 WABBQIGVCAPPAK-UHFFFAOYSA-N 296.395 3.619 30 20 CHED CCc1c(C)nc2ccccc2c1N1CCC(C#N)CC1 272249026 SHRCQJGRDDUIBQ-UHFFFAOYSA-N 279.387 3.846 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc([C@H]2CCOC2)c1 540528946 FAPNPYOIBKHQDC-YOEHRIQHSA-N 287.403 3.665 30 20 CHED N#CCCCNCc1ccc(-c2c(F)cccc2F)o1 273101426 VTMCZBYCBRAZQG-UHFFFAOYSA-N 276.286 3.618 30 20 CHED N#Cc1ccc(NC2CCC3(CCOCC3)CC2)cc1 377283399 PNWCNGAEKGCCFE-UHFFFAOYSA-N 270.376 3.710 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 466328059 QIIFGUSPTYDXSM-AJNGGQMLSA-N 264.413 3.561 30 20 CHED C=CCN(C(=O)C[C@H]1OCCc2ccccc21)C(C)(C)C 622944388 PZNGLFSNVRCUAG-MRXNPFEDSA-N 287.403 3.504 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ocnc1C1CC1 289102980 VMZCDKMVFOBKKV-UHFFFAOYSA-N 296.370 3.771 30 20 CHED C=CCC[C@@H](NCCC(OCC)OCC)c1ccco1 287412678 JRBDZZSEYOXIQF-CQSZACIVSA-N 281.396 3.666 30 20 CHED CCOc1ccc([C@@H](C)NCCc2cccc(C#N)c2)cc1 467460258 UQEFBCVTRHVUMK-OAHLLOKOSA-N 294.398 3.850 30 20 CHED CCC(CC)c1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)on1 464163025 QQQRIXIKYXQZIK-INIZCTEOSA-N 291.395 3.636 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc(C)cc2F)no1 289703666 MKQMYGMJGNXLSN-INIZCTEOSA-N 290.338 3.664 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccncc2)cs1 636417330 YVAQFXMLSIXWBS-OAHLLOKOSA-N 287.388 3.746 30 20 CHED C#CCCCCC(=O)N1CCC[C@H](Cc2ccccc2)C1 378402844 WTJWVXDCDMPPHX-GOSISDBHSA-N 283.415 3.661 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCCC2CCOCC2)c1 282056801 YTFJYUDMCDIZLH-UHFFFAOYSA-N 299.414 3.618 30 20 CHED C[C@H](C(=O)Nc1ccc2cc[nH]c2c1)c1cccc(C#N)c1 462312457 HDNDEJOCHDFNNQ-LBPRGKRZSA-N 289.338 3.782 30 20 CHED CCCc1cc(C(=O)NC(C#N)(CCC)CCC)ccn1 464276090 QFYZRFDSDZVWMK-UHFFFAOYSA-N 287.407 3.626 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@@H](OCC)C1CCCC1 551686343 ABWDRXACKOKNRU-OAHLLOKOSA-N 281.440 3.690 30 20 CHED C=CCCOCCN[C@H](CC)c1cccc(Cl)c1O 287271920 AZWNJNSYQKSCRQ-CQSZACIVSA-N 283.799 3.679 30 20 CHED N#CC1(CNc2ccnc3c(Cl)cccc23)CC1 557662764 QWPMVJGLXFBADK-UHFFFAOYSA-N 257.724 3.604 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@@H](C(C)C)C1 555254675 UKRPYUVROOUULF-OAHLLOKOSA-N 290.455 3.535 30 20 CHED C[C@@](C#N)(NC(=O)CC1CCCCC1)C1CCCCC1 555905304 YZAQNKWUVSOGDJ-KRWDZBQOSA-N 276.424 3.936 30 20 CHED C=CCOCCCOc1ccc(/C=C/C)cc1OC 478813799 JQXFRBZXZHTLMY-QPJJXVBHSA-N 262.349 3.700 30 20 CHED C=CCCCCNC(=O)c1ccc(OCC)c(OCC)c1 471670558 SRZWWCIAXSSFJZ-UHFFFAOYSA-N 291.391 3.570 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C(F)(F)F)nc1 294691336 VONZNQNFHOZESD-UHFFFAOYSA-N 272.270 3.641 30 20 CHED N#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 291045393 HGCIASYMOSMKAD-UHFFFAOYSA-N 290.672 3.991 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)cc(C)c2)[C@@H]1SC 807955139 OIJZGSMXXBFIKZ-GJZGRUSLSA-N 278.421 3.612 30 20 CHED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)NCCC#N 807185054 YNQDZEJBTGBCKI-HNNXBMFYSA-N 287.407 3.637 30 20 CHED C=CCC[C@H](CCC)Nc1ccc(C(=O)N(C)C)cc1 551834754 XASIWLRRGBIASP-HNNXBMFYSA-N 274.408 3.935 30 20 CHED C[C@@H](C#N)OCCNC(C)(C)CC1CCCCCC1 801947428 UWLMTQFVPCTKGB-AWEZNQCLSA-N 266.429 3.644 30 20 CHED C=C(C)CSCCOc1ccccc1OCC 476996695 BSVGMPZMUXIIKM-UHFFFAOYSA-N 252.379 3.773 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)OCC1(C#N)CCC1 802765578 KLHPBUOTPIDWAG-CQSZACIVSA-N 296.370 3.514 30 20 CHED C=CCCCCCCNCc1cc([N+](=O)[O-])ccc1O 808418669 ACSWJDFYSFUIGY-UHFFFAOYSA-N 278.352 3.527 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)NCC(C)(C)CCC#N 569161053 FLLGDESSEUTHJU-MRXNPFEDSA-N 286.419 3.701 30 20 CHED Oc1ccc(Cl)cc1/C=N\C[C@H]1CCCSC1 806551384 KPOSNCQMWWNLKH-IIBSKXHVSA-N 269.797 3.608 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](C)c1ccccc1Cl)C(C)(C)C 808185011 VGMYWWUMHIUHIR-SMDDNHRTSA-N 292.810 3.748 30 20 CHED COc1ccc(O)c(/C=N\C[C@H]2CCCC(F)(F)C2)c1 800721851 SXGQGIQLUGUVND-TZQXVGBESA-N 283.318 3.645 30 20 CHED Cc1cc(NC(=O)CCCC#N)c2ccccc2c1 295737708 AENZRAWMAVQFRA-UHFFFAOYSA-N 252.317 3.781 30 20 CHED C#CCN(CC#CC)C(=O)c1coc2ccc(C(C)C)cc12 804402244 JAHHJKHRWDKLQT-UHFFFAOYSA-N 293.366 3.655 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ncc(-c2ccccc2C)o1 803786755 NGYRZWSNQSEAKR-KRWDZBQOSA-N 298.342 3.633 30 20 CHED C[C@@H]1/C(=C/c2ccc(C#N)cc2)C(=O)c2ccccc21 809159794 WYOSWAWQAKUTTK-NJPLLEPOSA-N 259.308 3.942 30 20 CHED C=CCC[C@H](CCC)NCCc1scnc1C 295081683 SCPJFABZDHAVMZ-ZDUSSCGKSA-N 252.427 3.719 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 472792716 QQRYFHVECXKAPW-CVEARBPZSA-N 296.455 3.626 30 20 CHED N#Cc1ccccc1SCC[C@H](O)c1ccccc1 806583066 FAWHTEIQPDZZHE-HNNXBMFYSA-N 269.369 3.774 30 20 CHED CC(C)CCC(=NNc1ncncc1Cl)C1CC1 802712156 JOLIBLDCGFQGNT-UHFFFAOYSA-N 266.776 3.744 30 20 CHED C#C[C@@H](NC(=O)[C@@H](CC=C)c1ccccc1)C(C)(C)C 807881900 FNJKIFMQTVXVLC-JKSUJKDBSA-N 269.388 3.510 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)CCc1ccc(C#N)cc1 470397668 LZPWSFQLKKBJNL-HNNXBMFYSA-N 298.430 3.918 30 20 CHED CC[C@H](N[C@@H](C)C[C@H]1CCCO1)c1ccc(C#N)cc1 565931667 DJHIZUDHFOKJQR-XKQJLSEDSA-N 272.392 3.557 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(OCCC)cc1 488776032 NGALZJHXGLFNKQ-UHFFFAOYSA-N 284.359 3.715 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=NN[C@H]3CCCOC3)c2c1 811649027 YEZTUQXOXMVINA-HNNXBMFYSA-N 299.418 3.568 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc2ccc(OC)cc2c1 814810957 JUYZKDAOLMLFLP-UHFFFAOYSA-N 292.281 3.965 30 20 CHED Cc1cc(C)cc(C2=CCN(c3ccnc(C#N)c3)CC2)c1 561292030 VFBACXMEBANEPZ-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C=CCn1cccc1C(=O)N1C[C@H](C)[C@H]1c1ccccc1 488735326 OTFFCWFFXYTBKB-YOEHRIQHSA-N 280.371 3.507 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2ccc(C#N)nc2)CC1 561358902 KJJJOJNHVTWAHX-IBGZPJMESA-N 291.398 3.901 30 20 CHED CCOc1cccc(C=NOC2CCC2)c1OC(F)F 812236528 OPSKSUBPMDLRAC-UHFFFAOYSA-N 285.290 3.590 30 20 CHED Oc1ccc(/C=N\[C@H]2CCCCC23CCCC3)c(O)c1O 812445472 XTEWAKBASWOYBQ-DZBQEORWSA-N 289.375 3.725 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccccc1O 814943759 JLOVUZZXSWOQJF-UHFFFAOYSA-N 280.249 3.646 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccn1C1CCCC1 489941391 LLEDTIMPBKLHCA-UHFFFAOYSA-N 274.408 3.935 30 20 CHED C=CCC1(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)CCC1 573056510 XVHXPZSVUPJPHI-TZMCWYRMSA-N 273.376 3.766 30 20 CHED CC1(C)CN(Cc2cccc(F)c2C#N)[C@H]2CCC[C@H]21 578456456 FSKKJNLARWFLNX-ZBFHGGJFSA-N 272.367 3.708 30 20 CHED Cc1ccc(C[C@H](NCc2cccc(C#N)c2)C2CC2)cc1 480792812 DWIYSMMRQCPYJW-FQEVSTJZSA-N 290.410 3.978 30 20 CHED C#Cc1ccccc1CC(=O)N(C)[C@H](C)C1CCCCC1 811502691 YJLHHDBCBKPBHO-OAHLLOKOSA-N 283.415 3.638 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 570184997 KIGYYHJGXTZQOD-CYBMUJFWSA-N 292.379 3.828 30 20 CHED CCC[C@H](C(=O)Nc1scc(C)c1C#N)C(C)C 571003300 NORBJAYZDFYFCF-NSHDSACASA-N 264.394 3.939 30 20 CHED N#CC1(CN[C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 577146602 HHOSHHLDAWSCQJ-ZBFHGGJFSA-N 288.822 3.945 30 20 CHED CCC(C[C@@H](C)CC)=NNc1nc(-c2cccnc2)no1 814950027 NEWPPAUDNOPLBG-NSHDSACASA-N 287.367 3.746 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1 488882006 PHVSUIGUDTZHNX-CYBMUJFWSA-N 267.731 3.660 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCC(C)(C)C2)cc1 579641876 HXSAGTMCYDXAKJ-JKSUJKDBSA-N 284.403 3.756 30 20 CHED CN(C(=O)c1ccc(C#N)o1)c1ccc(C(C)(C)C)cc1 814109761 VUWOCMIDCRTVDW-UHFFFAOYSA-N 282.343 3.725 30 20 CHED Oc1nc(NN=CCC2CCCCC2)nc2ccccc12 814868788 JDFGNWSNARNFAE-UHFFFAOYSA-N 284.363 3.704 30 20 CHED N#CCCCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 813061157 SUEVJURQRQJCLM-CYBMUJFWSA-N 295.367 3.680 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NOC2CCC2)C1 812235004 GXANUNMVSFKYDD-CYBMUJFWSA-N 258.365 3.973 30 20 CHED O=[N+]([O-])c1ccccc1C[C@H]1CCCC1=NOCC1CC1 814243042 CAJZSCXHIBIDNS-CYBMUJFWSA-N 288.347 3.720 30 20 CHED C=CCCCCCSCC(=O)Nc1ccc(C#N)cc1 485568184 BYMZPZWTBFEUHF-UHFFFAOYSA-N 288.416 3.976 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccc2[nH]ccc2c1 488817378 OIJRUWSQIBPSOE-INIZCTEOSA-N 282.387 3.668 30 20 CHED C#Cc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 814178314 LLYOOHSMWSATBJ-UHFFFAOYSA-N 294.354 3.601 30 20 CHED N#CCCCCN1CCC[C@@H]1COc1ccc(Cl)cc1 726596401 KJQAHAPFBFJHCB-OAHLLOKOSA-N 292.810 3.877 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1 728482155 MIZNNJBJOCXWLW-IAGOWNOFSA-N 281.399 3.869 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CCCc1ccc(F)cc1 576596618 XCZONPCOFMLTTM-KRWDZBQOSA-N 290.382 3.593 30 20 CHED CC(=NNCc1ccccc1Cl)c1sc(C)nc1C 726737016 DVNKMPDJTDOUAE-UHFFFAOYSA-N 293.823 3.927 30 20 CHED C=CCCNC(=O)N1CCCC[C@@H]1c1ccccc1OC 665946279 VAJXBVRWRFGERT-OAHLLOKOSA-N 288.391 3.508 30 20 CHED C=CCN(CC=C)C(=O)CCOc1cc(C)cc(C)c1C 499517412 JKJIHLZXNIHACV-UHFFFAOYSA-N 287.403 3.581 30 20 CHED CC(C)n1ccc(CNc2c(Cl)cccc2C#N)n1 584694067 JWTOMONCYVUJGB-UHFFFAOYSA-N 274.755 3.601 30 20 CHED C=CC[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 661376899 GKFYFMFEHUAZPV-AWEZNQCLSA-N 283.375 3.525 30 20 CHED CCc1cccc(C)c1NC(=O)CCCCCC#N 588805980 BDHNKNHLDNAJSO-UHFFFAOYSA-N 258.365 3.970 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H]1C=CCC1 823239817 HUEWGXZHVBKISZ-CQSZACIVSA-N 256.349 3.645 30 20 CHED CC[C@H](Nc1ccccc1)C(=O)Nc1cc(C#N)ccc1C 498229063 QHFBMOYMOQCHQR-INIZCTEOSA-N 293.370 3.696 30 20 CHED C=CCOCCSCCCCC1(C#N)CCC1 901793346 JSFMCWJGHQFFTR-UHFFFAOYSA-N 253.411 3.786 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)[C@@]1(C#N)CC12CCCC2 584094500 ANZBYQQSKCNHKB-KSSFIOAISA-N 288.435 3.936 30 20 CHED C=CCN(C(=O)/C=C(\C)Cc1ccccc1OC)C(C)C 730167772 GZCDSKGAMOHEAD-FYWRMAATSA-N 287.403 3.607 30 20 CHED C#C[C@@H](NCc1ncc(Cl)s1)c1ccc(Cl)cc1 491690332 LVEYJRFYXSLHGV-LLVKDONJSA-N 297.210 3.914 30 20 CHED CC[C@@H](NC[C@](C)(O)c1ccccc1)c1cccc(C#N)c1 902804361 PBGUHXUGRJZQDF-MOPGFXCFSA-N 294.398 3.507 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2cccc(C3CC3)c2)nn1 901526375 AIWGRZKXRSYLRU-TWGQIWQCSA-N 281.359 3.633 30 20 CHED C#CCOC(=O)c1ccc(-c2ccc(C)cc2)cc1F 730350953 PBMUGXJETKIMOX-UHFFFAOYSA-N 268.287 3.591 30 20 CHED C=CCC1(N[C@H]2CCC[C@H](C3CC3)C2)CCOCC1 668551964 BDVUYBVFRZVBER-HOTGVXAUSA-N 263.425 3.670 30 20 CHED CCc1nocc1/C=C/C(=O)c1csc(C(C)C)n1 834434873 VXXUDOMGCKGPRU-AATRIKPKSA-N 276.361 3.713 30 20 CHED Cc1ccc(C#N)c(Sc2ncc(-c3ccccc3)[nH]2)n1 587105460 XCADKPYOXJVEPM-UHFFFAOYSA-N 292.367 3.803 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2c(C)cccc2F)C1 666584741 JMGONEAYLRXGON-ZDUSSCGKSA-N 276.355 3.954 30 20 CHED CCO[C@H](c1noc(-c2cc(C#N)ccc2C)n1)C(C)C 904130607 NQWPLHCQFZZPDT-AWEZNQCLSA-N 285.347 3.650 30 20 CHED CC(C)(CC#N)CNCc1ccc2c(c1)CCC(C)(C)O2 839163121 IREAUCRROXVFJX-UHFFFAOYSA-N 286.419 3.820 30 20 CHED Cc1nc(/C=C2\CCCc3ccccc3C2=O)[nH]c1C 901415338 HWFLJEZWKNILMX-GXDHUFHOSA-N 266.344 3.629 30 20 CHED N#Cc1ccnc(CSCC[C@H]2CC2(Cl)Cl)c1 901800585 UISWHMNLFCRVNI-JTQLQIEISA-N 287.215 3.770 30 20 CHED C#CCC(C)(C)C(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 838130595 QGVGQGXUQZTJDH-HNNXBMFYSA-N 275.436 3.853 30 20 CHED CCSC1(CN[C@H](CC)c2cccc(C#N)c2)CC1 903054366 JRYFZJOUCAIBCJ-OAHLLOKOSA-N 274.433 3.885 30 20 CHED Cc1nc(N2CC(Cc3ccccc3)C2)c(Cl)cc1C#N 589690317 MNHJRKDSRXDALK-UHFFFAOYSA-N 297.789 3.594 30 20 CHED Cc1ccc2cc([C@@H](C)NCC(C)(C)C#N)oc2c1 903101877 OOIZIACFLPKIGC-GFCCVEGCSA-N 256.349 3.942 30 20 CHED C[C@H]1CC[C@@H](C)C(=NNc2nncc3ccccc23)C1 834921754 VJJYDOPJIACUIA-NWDGAFQWSA-N 268.364 3.854 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCC(=O)c1ccccc1 907962860 ODNLRRWUEHQQQY-OAHLLOKOSA-N 273.376 3.511 30 20 CHED C=C(Br)COC(=O)c1cc2occc2s1 736897896 WWLPRSCRRLCAIB-UHFFFAOYSA-N 287.134 3.560 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ccc(-n2cccn2)cc1 588618381 PZKBHZPCRGTRCI-FLIBITNWSA-N 299.333 3.640 30 20 CHED C=CCC[C@@H](CCC)Nc1cnc2c(c1)COCC2 679092780 SYOFOUPKQSSEBU-CQSZACIVSA-N 260.381 3.701 30 20 CHED C#CC[C@H](OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1ccccn1 733693162 VJFWVQLBYOANQY-BHYGNILZSA-N 297.398 3.928 30 20 CHED C/C(Cl)=C/C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 900633972 GZXNMMKUCHZONK-RBJHHQRMSA-N 290.794 3.808 30 20 CHED N#CCC[C@H](NC(=O)OC1CCCC1)c1ccccc1 830923604 HMJRPBLKBRRILT-HNNXBMFYSA-N 272.348 3.700 30 20 CHED C=CC(C)(C)C(=O)O[C@@H]1CCO[C@H](c2ccc(C)cc2)C1 835251861 JMPFZAPUVKCVKL-CVEARBPZSA-N 288.387 3.971 30 20 CHED CC(CCc1ccccc1)=NNc1cc(C)nc(C)n1 915970543 FVCDERPENKDJGH-UHFFFAOYSA-N 268.364 3.514 30 20 CHED CC(C)(CC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597912232 SZBWYUKDUOGKHF-OAHLLOKOSA-N 284.403 3.507 30 20 CHED CCCN(C(=O)[C@H]1CC1(F)F)c1cc(Cl)ccc1C#N 598808049 CMVMTTCDAJENGN-LLVKDONJSA-N 298.720 3.610 30 20 CHED Oc1ccccc1/C=N\Cc1cc(Br)cs1 915983117 QIJAAEWJOCZXKG-NSIKDUERSA-N 296.189 3.835 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)CCc1ccc(C#N)cc1 598463331 WHBURHKLTGHVRW-WMLDXEAASA-N 284.403 3.670 30 20 CHED CN(C(=O)NCc1ccc(C#N)cc1)C1CCCCCCC1 749010967 NVOQYNOYMHDGKJ-UHFFFAOYSA-N 299.418 3.813 30 20 CHED C=CCOCCCC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 742581360 BCULQQLHZPFZKU-JKSUJKDBSA-N 295.467 3.938 30 20 CHED CC(C)[C@@H](CC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597914663 WXKVNFNTPYCBBW-FUHWJXTLSA-N 298.430 3.969 30 20 CHED C=CCNC(=S)N[C@H](c1ccccc1)C1CCCC1 918727952 UDMRLFPPXUFOKI-OAHLLOKOSA-N 274.433 3.568 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 593453910 SAGIJMQTNGJCLR-OLZOCXBDSA-N 290.432 3.914 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 746577172 SBPVELDKMIWYRQ-JTQLQIEISA-N 272.270 3.530 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1C(F)(F)F 599272760 SPJSLXIUMNJIPW-GFCCVEGCSA-N 298.308 3.682 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)s1 742436008 DMKUNHIQZAQYAD-SREVYHEPSA-N 270.353 3.983 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc2nc(C)sc2c1 842855136 JZZMZDFNDMIDNT-UHFFFAOYSA-N 297.326 3.859 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(CC(C)C)c1)[C@@H](C)C#N 598363230 NSYWWYJZSVRMDV-LSDHHAIUSA-N 286.419 3.749 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1ccc(C)c(C)c1 916241968 RBLJFFQWIZOCRE-UHFFFAOYSA-N 268.364 3.546 30 20 CHED C#CCN(C(=O)N[C@H](C)C1CCCCC1)C1CCCCC1 745839279 UMRQJZFLFNQVIB-OAHLLOKOSA-N 290.451 3.933 30 20 CHED C=CCC(CC=C)C(=O)NCCC[C@@H]1CC1(Cl)Cl 844963351 KKMWEJNSJIOTLG-GFCCVEGCSA-N 290.234 3.845 30 20 CHED CC#CCOC(=O)c1ccc(Oc2ccccc2)cc1 744484917 OAHDRQKKLAHXRK-UHFFFAOYSA-N 266.296 3.659 30 20 CHED Cc1cc(C=NNc2ccccn2)ccc1Br 746370935 QEQQUMGTDQBUFA-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=CCOc1ccc(OC(=O)c2ccccc2F)cc1 742859932 DUCWRVSWCVNATM-UHFFFAOYSA-N 272.275 3.610 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1c[nH]c2cc(F)ccc12 749454122 WINOBXGVVGXMKR-WAYWQWQTSA-N 283.306 3.543 30 20 CHED N#Cc1ccc(N(C(=O)[C@@H]2C[C@H]2C2CCC2)C2CCC2)cc1 598884791 FONMBFHLUBOYPQ-ZWKOTPCHSA-N 294.398 3.880 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(c1)ncn2C 743782580 VVKTXUIXRFULNQ-UHFFFAOYSA-N 273.380 3.872 30 20 CHED CCCCCCCC(=O)N(C)[C@H]1CCN(CC)[C@H](C)C1 740841637 VIUCTPOEJBVSPT-CVEARBPZSA-N 282.472 3.678 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 591103807 YCOWKWYWJXPXLV-LBTNJELSSA-N 288.435 3.791 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2cccc(C)c2nc1Cl 846634761 HHMQLMFIPOWDQA-NSHDSACASA-N 288.778 3.891 30 20 CHED C[C@@H](C#N)N(Cc1c(Cl)oc2ccccc12)C1CC1 598626775 KDZROYXTTAHACR-JTQLQIEISA-N 274.751 3.963 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNCc2cc(F)ccc2F)o1 915979649 XNGOLOUVKFFWPP-QMTHXVAHSA-N 290.313 3.805 30 20 CHED C#C[C@@H](OC(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccccc1 842392108 ISJPOZRIPAJNQA-OCCSQVGLSA-N 297.181 3.878 30 20 CHED CCCCCCCOC(=O)Cc1ccc(NC(C)=O)cc1 918493396 RRDKPWHQZPNNPG-UHFFFAOYSA-N 291.391 3.701 30 20 CHED C=C(Br)COC(=O)CCC1CCCCC1 918827679 QAJJKLWOPPWEFP-UHFFFAOYSA-N 275.186 3.799 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)[C@@H](C#N)CC 593450244 KBPWSFFDGZOODN-SECBINFHSA-N 282.796 3.940 30 20 CHED CCc1cc(N(C)CC(C)(C)C#N)nnc1-c1ccccc1 596239306 AUUKYVDPFIKSHU-UHFFFAOYSA-N 294.402 3.692 30 20 CHED C#C[C@@H](OC(=O)CCCC1CCOCC1)c1ccccc1 842390752 AJMMULXWEQTKOP-QGZVFWFLSA-N 286.371 3.501 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C\c1c(C)cnn1C)CC2 843274315 WLFJRGOQAYFQGP-JYRVWZFOSA-N 298.411 3.663 30 20 CHED CC(=NNc1ccccn1)c1sc(C(C)(C)C)nc1C 915109991 KTFKLULYMJUOIW-UHFFFAOYSA-N 288.420 3.980 30 20 CHED CC(=NN=C(C)c1cc(C)c(C)cc1C)c1cnccn1 745203653 MAQXJGVSCLMKAG-UHFFFAOYSA-N 280.375 3.635 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(C#N)cc1 595058182 YYPWZVHXKBZHKX-LJQANCHMSA-N 289.382 3.713 30 20 CHED C=CCCC(=O)OCCO[C@@H](CC)c1ccccc1 845114585 SDDURCUNKMHZKV-HNNXBMFYSA-N 262.349 3.664 30 20 CHED Cc1ccnc(NN=Cc2ccccc2C(C)C)c1 848407465 PKOVAOABXYSLJT-UHFFFAOYSA-N 253.349 3.959 30 20 CHED C=C(Br)CN(C)[C@@H](CC)Cc1ccccc1 741811257 NJARYTYMFZURBS-AWEZNQCLSA-N 282.225 3.848 30 20 CHED C=CC(C)(C)CNC(=S)Nc1cc(C)cc(C)c1 840794850 PNXMRCJEJMITLH-UHFFFAOYSA-N 262.422 3.802 30 20 CHED CCO[C@@H](CN[C@H](C)CC(C)(C)C#N)c1ccccc1 926299741 QDMDLLWIHBCIMW-ZBFHGGJFSA-N 274.408 3.682 30 20 CHED C#CCCCN1CCC(c2ccnc3ccccc23)CC1 846950759 QUEWCPWSABSBIL-UHFFFAOYSA-N 278.399 3.828 30 20 CHED CCCCc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1 929154425 CRCRBGCXOKTLDD-OAHLLOKOSA-N 285.391 3.797 30 20 CHED CC(C)(CC#N)CNC(=S)Nc1ccccc1Cl 840845403 OFXICEUTTBACOJ-UHFFFAOYSA-N 281.812 3.566 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccn1Cc1ccccc1 684987320 DSYCOBDVZOXKTE-INIZCTEOSA-N 282.387 3.621 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](CC)c1ccc(Cl)cc1 753243270 NUBOLUNKEDCMNK-KGLIPLIRSA-N 278.783 3.502 30 20 CHED C#CCCOC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 752169340 ZNJLHMYOHWPAGA-ZDUSSCGKSA-N 284.277 3.766 30 20 CHED Cc1nc[nH]c1C=NN[C@@H](C)c1ccc(C(C)C)cc1 755663209 YEKLTAVNKUDBLA-LBPRGKRZSA-N 270.380 3.526 30 20 CHED COc1ccc(C(C)=NN[C@@H](C)c2ccccc2)cc1OC 920385891 JXJOQTGEHDFWEP-ZDUSSCGKSA-N 298.386 3.779 30 20 CHED C[C@@H](CCCc1cccnc1)N[C@H](C)CC(C)(C)C#N 926564808 GEDQWERWRXJCBO-LSDHHAIUSA-N 273.424 3.711 30 20 CHED COc1ccc(NN=C(C)c2cccc(C)c2)cc1 750946586 VNQRWRNAAQJXLX-UHFFFAOYSA-N 254.333 3.840 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1cc(F)cc(F)c1 755396376 YLSABCNBJUPYHJ-JTQLQIEISA-N 254.276 3.925 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(F)cc2)c1 759210067 NHEKBWSZHRYNRL-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C[C@@H]1CC/C(=C/C(=O)O[C@H](C)c2cccc(C#N)c2)C1 753808022 XJGYVBJLPTTYCV-OFLZDLGMSA-N 269.344 3.909 30 20 CHED C[C@@H](C#N)CNN=C1CCC[C@H]1c1ccccc1Cl 758128837 JDWJNDSMPZFXLA-AAEUAGOBSA-N 275.783 3.713 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@H]1CCC[C@H]1C 851205970 LJPLQDHWZRJOIE-JHJVBQTASA-N 251.370 3.684 30 20 CHED CCC(=O)c1cc(C(=O)Oc2ccc(C#N)cc2)ccc1F 757920312 AYEATTHIVSEGBD-UHFFFAOYSA-N 297.285 3.509 30 20 CHED CCCCCC=NNc1oc(C(C)(C)C)nc1C#N 755674794 LSRSANNCHOZIOJ-UHFFFAOYSA-N 262.357 3.822 30 20 CHED CCCCCC(C)(C)CNC(=O)N1CCC[C@@H](CC#N)C1 852196026 MYVJLECPKYBMOQ-HNNXBMFYSA-N 293.455 3.928 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(CC#N)cc2)cc1C 758565363 RSSQPZOKFBEESY-UHFFFAOYSA-N 278.355 3.646 30 20 CHED Cc1cc(C)c(/C=C\C(=O)O[C@H](C#N)C(C)C)cc1C 751160679 IEMYROKAELPWHZ-MWWKQMNYSA-N 271.360 3.716 30 20 CHED C#CC(=O)Nc1nc(-c2cccc3ccccc23)cs1 754017678 LLKKPYRYVMXLPI-UHFFFAOYSA-N 278.336 3.535 30 20 CHED C#Cc1ccc(NC(=O)N2CC(C)(C)[C@@H]2C(C)C)cc1 934927690 DDZGFYIMAXOWLJ-HNNXBMFYSA-N 270.376 3.566 30 20 CHED Cc1cnc(Cl)c(NC(=O)CC2(C#N)CCCCC2)c1 857608293 FJQPAISXUNNRDB-UHFFFAOYSA-N 291.782 3.846 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1csc(C)n1 756832976 WYQSMNMRZMPGCK-UHFFFAOYSA-N 279.796 3.619 30 20 CHED C=C1CCN(C(=O)Nc2ccc(F)cc2SC)CC1 931810724 RCZHXPCLXPJBNU-UHFFFAOYSA-N 280.368 3.732 30 20 CHED COc1ccc(NN=Cc2ccc(OC)c(Cl)c2)cc1 750946029 MQHPXPNDTSAOOJ-UHFFFAOYSA-N 290.750 3.803 30 20 CHED N#CC1(COC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 768096163 BYFYJVPTVPFPAO-MNOVXSKESA-N 289.297 3.592 30 20 CHED CN(CCCc1ccccc1)Cc1ccc(C#N)cc1 46529328 OGCJHFIVUKMMSW-UHFFFAOYSA-N 264.372 3.623 30 20 CHED C#CCN(Cc1ccc(C)nc1)[C@H]1CCc2ccccc21 765560332 JISGUFNRZDEBIZ-IBGZPJMESA-N 276.383 3.513 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1ccc(C#N)nn1 767208478 LBPHSUSVURLVLD-GXTWGEPZSA-N 272.396 3.613 30 20 CHED COc1cc(C#N)ccc1COC(=O)C(C)=C1CCCC1 766901057 JPPQRXFQWTYMNE-UHFFFAOYSA-N 285.343 3.501 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H]2CCc3ccc(Cl)cc32)C1 769846890 QUPOZLZEUSMEKY-YVLXSGLVSA-N 260.768 3.609 30 20 CHED C#CCN(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 763800015 HYTKJIQBDWDPTE-JTQLQIEISA-N 296.197 3.721 30 20 CHED C#CCCCCCC(=O)OC1CCC(F)(F)CC1 860972143 BCKPXAIOYPDTJS-UHFFFAOYSA-N 258.308 3.691 30 20 CHED C=CCCC(=O)COC(=O)C(C)(C)c1ccc(CC)cc1 761410361 GGVWNYTYJQKJPK-UHFFFAOYSA-N 288.387 3.605 30 20 CHED Cc1ccccc1C=NNCc1cnc2ccccc2c1 764778228 IAZFTHRFVPKYAC-UHFFFAOYSA-N 275.355 3.667 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccccc1OC 761890613 PCTFLNQERDIVTG-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C#CCCN(Cc1cccc(OCC=C)c1)CC(F)(F)F 768533689 JKDUEAMNLHMROY-UHFFFAOYSA-N 297.320 3.639 30 20 CHED C#CCCCCCc1nc(-c2ccc(F)cc2C)no1 761963191 QMQOUKUQXGFCJJ-UHFFFAOYSA-N 272.323 3.920 30 20 CHED N#Cc1cccc(C#N)c1NCc1ccc2c(c1)CCC2 1116785144 LVLXIWIQVXKHCF-UHFFFAOYSA-N 273.339 3.531 30 20 CHED N#CCOc1ccc(Cl)cc1CN1CCC=C(Cl)C1 878794314 ZFBHIEZRAYPFHJ-UHFFFAOYSA-N 297.185 3.571 30 20 CHED CCc1cccnc1C(C)=NNCc1ccc(Cl)cc1 779778148 VCDYUADUZJAAAF-UHFFFAOYSA-N 287.794 3.811 30 20 CHED C[C@@H](C#N)OCCN1CCCSc2cc(Cl)ccc21 879136945 DZLGZEHCUHPCHN-NSHDSACASA-N 296.823 3.571 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1csc(C#N)c1 1117798344 QWDCJJSOHWGYNK-FZMZJTMJSA-N 276.405 3.661 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCc1ccc(OCC#N)cc1 772957388 FDFLSTRLMDVKDB-LJQANCHMSA-N 292.382 3.675 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1c(C#N)cccc1C#N 1116798477 CINKCYBOPBTALG-KRWDZBQOSA-N 273.339 3.838 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1)c1ccccn1 878091607 GWDFBEXVOVDKBM-SFHVURJKSA-N 294.398 3.890 30 20 CHED N#Cc1ccc(C(=O)OC2CCCCC2)cc1Cl 777402767 ZTDQEWYIOOQMLI-UHFFFAOYSA-N 263.724 3.701 30 20 CHED C[C@@H](C#N)CNN=Cc1c(Cl)ccc(Cl)c1Cl 771108395 UITZJKJWXQXXGD-ZETCQYMHSA-N 290.581 3.730 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(-c2ccc[nH]2)cs1 878012214 IRYHCMBIOQHLGA-UHFFFAOYSA-N 275.377 3.679 30 20 CHED C[C@@H]1CCN(C(=O)c2csc(C#N)c2)[C@H]2CCCC[C@H]21 1117740348 IYMRQRSPRBNKQY-UGFHNGPFSA-N 288.416 3.661 30 20 CHED C[C@@H](C#N)CNN=Cc1ccc(-c2ccc(F)cc2)s1 771104626 UKPLDIZOAXOCBA-NSHDSACASA-N 287.363 3.637 30 20 CHED CC[C@@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 776111134 ASAAXUMNCLGTAS-GOSISDBHSA-N 293.366 3.990 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@@H]1[C@H]2CCC[C@H]21 776703375 VZYHOWGCPDNYML-FOLVSLTJSA-N 283.371 3.577 30 20 CHED CCC[C@H](C(=O)OCc1cccc(C#N)c1F)C(C)C 774988442 JZAUZFSYXIGHDC-AWEZNQCLSA-N 277.339 3.813 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(C#N)c(F)c1 776765880 LWSOCJQZQZJNRH-GFCCVEGCSA-N 281.334 3.772 30 20 CHED CC(=NN=c1cc[nH]cc1)c1ccc(SC(C)C)cc1 779807314 ROSMZBRVNWGQNV-UHFFFAOYSA-N 285.416 3.840 30 20 CHED CC(=NOC1CCOCC1)c1cccc(C(F)(F)F)c1 774452674 MIGBBZCWFJYUSR-UHFFFAOYSA-N 287.281 3.625 30 20 CHED C=C(CC)COC(=O)CSc1ccc(OCC)cc1 773475261 HBODYBJWGJGPCE-UHFFFAOYSA-N 280.389 3.687 30 20 CHED C[C@@H](NN=CCCc1ccc2c(c1)CCO2)c1ccccc1 774375932 WQYZIICTXIFWEV-OAHLLOKOSA-N 294.398 3.891 30 20 CHED Cc1ccc(NC(=S)NN=C2CC3(CCC3)C2)cc1C 772833935 UORIQNSMAUPZKD-UHFFFAOYSA-N 287.432 3.910 30 20 CHED CCC[C@H](C)N(C)C(=O)Nc1ccccc1O[C@@H](C)C#N 780671754 UGZMZIFJFALWPD-STQMWFEESA-N 289.379 3.630 30 20 CHED CCCc1cccc(C=NN[C@H]2CCOC(C)(C)C2)c1 780249561 HYFQAAOLMJSUKE-INIZCTEOSA-N 274.408 3.520 30 20 CHED C=CCCCCCOC(=O)c1ccccc1[S@](=O)CC 782597934 IRACBBQSOROKEE-HXUWFJFHSA-N 294.416 3.717 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccnc(Cl)c1 782195007 UAHNSQFENMLWJG-UPHRSURJSA-N 285.155 3.741 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C(\C)c1ccccc1OC 785858308 ZYYGZZDLHKXHJW-BUYIWHAFSA-N 285.387 3.666 30 20 CHED C[C@H]1CCCC(=NNc2ncnc3sccc23)[C@@H]1C 781121655 LVYZEOMFGYGOAB-VHSXEESVSA-N 274.393 3.915 30 20 CHED Cc1cc(C)cc(/C=C2/Cc3cc(O)ccc3C2=O)c1 780186941 QVMORUJIDXGKDO-NVNXTCNLSA-N 264.324 3.831 30 20 CHED CC1(C#N)CCC(N[C@H](c2ccncc2)C2CC2)CC1 898321849 WSJQWFQVGBHADQ-CGZBRXJRSA-N 269.392 3.595 30 20 CHED C=C(Br)CN(C)CC1(c2ccccc2)CC1 781930119 UGDGORVRDSCXBQ-UHFFFAOYSA-N 280.209 3.559 30 20 CHED Cc1nsc(N(C)C(=O)CC2(C)CCCCC2)c1C#N 891429713 IWOMNIRWSBXHPQ-UHFFFAOYSA-N 291.420 3.647 30 20 CHED Cn1cc(C=NNCCC(C)(C)C)c(-c2cccs2)n1 782908271 TVBIGRBJWWZNQC-UHFFFAOYSA-N 290.436 3.508 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)N(CC#N)c1ccccn1 892468976 FZMCGKPXENIAIF-AWEZNQCLSA-N 285.391 3.545 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1cccc(F)c1C#N 1136791500 VEMOSYJRLPIQBL-OLZOCXBDSA-N 288.366 3.644 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2cccc(Cl)c2)s1 782218249 FPURIJHIHASSRE-UHFFFAOYSA-N 281.724 3.756 30 20 CHED COc1ccc(C)cc1NCc1cc(C#N)cs1 93685055 AWNJYAKKDMAFSS-UHFFFAOYSA-N 258.346 3.549 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cnn(C)c1C1CC1 894923052 GRCWPRHEOMVVII-SFHVURJKSA-N 295.430 3.575 30 20 CHED COC1CCC(=NN[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 794540845 FHQNRPHAOALPQX-GHQDEUIFSA-N 278.440 3.736 30 20 CHED COc1ccc(C#N)cc1NCc1csc(C2CC2)n1 270363347 ZKDKLKMEBCQADR-UHFFFAOYSA-N 285.372 3.513 30 20 CHED Fc1cccc(C2CC(=NNc3ncccc3F)C2)c1 794992902 DXVQDKGSAFBISL-UHFFFAOYSA-N 273.286 3.705 30 20 CHED Fc1cccc(-c2ccc(C=NOCC(F)F)o2)c1F 790176976 WZMVWFVHYZBJRJ-UHFFFAOYSA-N 287.212 3.840 30 20 CHED CCN(CC)c1ccc(/C=N/CC2CC(F)(F)C2)c(O)c1 793656921 UIMUMBHUJKPLRK-YBFXNURJSA-N 296.361 3.703 30 20 CHED COc1ccc(NN=C[C@@H]2C[C@@H]2C)c(C(F)(F)F)c1 793110758 BNIBFEHHSDVVNP-IUCAKERBSA-N 272.270 3.768 30 20 CHED CC(=NNc1cncnc1)c1ccc2c3c(cccc13)CC2 794976847 RJMQXLPTSBXJKX-UHFFFAOYSA-N 288.354 3.565 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccc(C(C)(C)C)cc1 794689668 CCYNLTKJANABQP-KHPPLWFESA-N 282.387 3.922 30 20 CHED C#CCCCN1CCC(c2cccc(Cl)c2)CC1 796535264 WLINQHFZOGBFOB-UHFFFAOYSA-N 261.796 3.933 30 20 CHED CCn1cc(/C=C/C(=O)c2cccc(CC(C)C)c2)cn1 794718785 LRHUNTALEKRLLX-CMDGGOBGSA-N 282.387 3.998 30 20 CHED N#Cc1ccc(OCc2cc(C(=O)O)cs2)cc1Cl 711435145 KPEUKNJALSNGLA-UHFFFAOYSA-N 293.731 3.550 30 20 CHED N#CC[C@H](CC(=O)OC/C(Cl)=C\Cl)c1ccccc1 795992974 RZTCMIFFHWGVBP-AUWXEVLLSA-N 298.169 3.936 30 20 CHED CC(=O)Nc1ccc(C(C)=NNCC2(C)CCCC2)cc1 793083665 DJQHQOIAGCUBNE-UHFFFAOYSA-N 287.407 3.539 30 20 CHED C#C[C@@H](OC(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 796997671 XJPFWJLGUZDLSP-CQSZACIVSA-N 295.363 3.650 30 20 CHED Cc1cc(C)cc(C[S@@](=O)Cc2ccc(C#N)cc2)c1 78288892 ZQNKBWLPEOZFOM-HXUWFJFHSA-N 283.396 3.624 30 20 CHED C[C@@H]1CC[C@@H](C)[C@H](Nc2cccc(OCC#N)c2)C1 85097802 GCLUZWATQWXFFB-XJKCOSOUSA-N 258.365 3.826 30 20 CHED C#CCOc1cccc(NC(=O)C2(CCC)CCC2)c1 759192789 VTWWTTKIMCUCRN-UHFFFAOYSA-N 271.360 3.608 30 20 CHED C=CCCCOC(=O)c1ccc(Cl)nc1C(F)(F)F 769198458 VWJWCXUXXJWMHZ-UHFFFAOYSA-N 293.672 3.877 30 20 CHED Cc1ccc(F)c(CCNc2ncc(C#N)cc2Cl)c1 1307121104 UZEJQRKYCNNZDC-UHFFFAOYSA-N 289.741 3.709 30 20 CHED C[C@H](Cc1cccc(F)c1)Nc1cccc(C#N)c1 133599516 QDRFQGTYSSHSNZ-GFCCVEGCSA-N 254.308 3.740 30 20 CHED COc1cccc(CSc2ccc(Cl)cc2C#N)n1 1307310240 JUWUIWHGCOBFQV-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccnc(Cl)c1 1337310357 WJMFLFQXONDKHF-NSHDSACASA-N 287.750 3.810 30 20 CHED C[C@@H](NCCCCC1(C#N)CCC1)c1cccc(O)c1 1334202625 QTRVUYPTOAPOPL-CQSZACIVSA-N 272.392 3.907 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1CCO[C@@H](CC)C1 1336215111 BCPQSVBPGDRPLM-XHSDSOJGSA-N 279.424 3.539 30 20 CHED C[C@H]1CCC[C@]1(C)c1nnc(COc2ccc(C#N)cc2)o1 1330076061 ZGXXXQYHLKSWDW-SJCJKPOMSA-N 297.358 3.598 30 20 CHED CCn1c([C@@H](C)CCC#N)nnc1N(CC(C)C)C(C)C 1342940871 OMHMCKXLFHYUFH-AWEZNQCLSA-N 291.443 3.576 30 20 CHED C=C(C)CCC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 1353727109 PAOHWQRRTVAMEO-AWEZNQCLSA-N 283.375 3.787 30 20 CHED Cc1cccc(Cl)c1C(=O)N1CCc2cc(C#N)ccc21 1436665690 FQDRKTKPPZXYFJ-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)C(C)(C)C 1273074986 NMNAXOSNPBRQPC-OAHLLOKOSA-N 272.392 3.811 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccn(C2CCCC2)n1 1353905404 PWEDDNUFWXHXGX-AWEZNQCLSA-N 287.407 3.569 30 20 CHED CC1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCCCCC1 1528490011 NEYQARPPVBHTQY-KGLIPLIRSA-N 263.381 3.972 30 20 CHED Cc1cccc([C@H](C)Nc2cc(C)c(C#N)cn2)c1 1458281685 WTVFLTGXWASYBQ-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED CSc1ccccc1C(=O)Nc1cc(C#N)ccc1F 1528040624 NGHOVYDVHTUVBO-UHFFFAOYSA-N 286.331 3.672 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2ccccc2C2CC2)c1 1602549874 FIBGMULWYYXJLD-BQYQJAHWSA-N 282.295 3.751 30 20 CHED Cc1cc(C)nc(SCc2cccc(C(=O)O)c2C#N)c1 1607632553 QFTDXGCNFDZUCM-UHFFFAOYSA-N 298.367 3.561 30 20 CHED Cc1cccc(CN(C)c2c(F)cc(C#N)cc2F)c1 111143565 MWLDYKQNPZPUNM-UHFFFAOYSA-N 272.298 3.781 30 20 CHED Cc1cc(CN2CC[C@H]2c2ccc(F)cc2)ccc1C#N 1621551573 LUMCIYLLWLIZNZ-SFHVURJKSA-N 280.346 3.953 30 20 CHED C=CCCc1ccccc1NCc1cc(C(=O)O)c(C)[nH]1 1573360650 UCLIYQYAZHKEND-UHFFFAOYSA-N 284.359 3.752 30 20 CHED C=C(Br)CN1CCCCc2ccc(OC)cc21 1643523104 NGHAREOENQVHOU-UHFFFAOYSA-N 296.208 3.747 30 20 CHED N#Cc1cnc(NCC2CCCCCC2)c(Cl)c1 1655477364 CARFYEOESQTCDG-UHFFFAOYSA-N 263.772 3.989 30 20 CHED C=CC[C@@H](SC[C@@H](C)c1ccccc1)C(=O)O 1588758163 FCHMJPFECZLFRS-DGCLKSJQSA-N 250.363 3.553 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccccc1NC 1657496456 NJZIAPZNJJQFKI-UHFFFAOYSA-N 281.359 3.611 30 20 CHED C=C[C@H](OC(=O)c1cc(C)cc(C(=O)O)c1)c1ccccc1 1588711881 FGCHLCPLWVFFNM-INIZCTEOSA-N 296.322 3.777 30 20 CHED Cc1ccnc(SCc2ccc(CC#N)cc2)c1 1656864133 URXPZQBUWSNZNX-UHFFFAOYSA-N 254.358 3.748 30 20 CHED C[C@@H](CNC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1671464096 UJGPQJSBCOEJMU-AWEZNQCLSA-N 293.370 3.678 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(C[C@@H](CC)CCCC)C1 1776159318 IFRJCYXQNNNBPP-GOEBONIOSA-N 267.413 3.556 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)o2)cc1 1776114114 GEUIKLQFVKMQBM-WGEIWTTOSA-N 282.295 3.582 30 20 CHED O=C(O)Cc1ccc(NN=Cc2cccc3ccoc23)cc1 1776085037 HCNZVLYNIFYDOD-UHFFFAOYSA-N 294.310 3.506 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cc(C(=O)O)c(Cl)s1 1777476627 HBGSAIBKRANORU-IHWYPQMZSA-N 296.731 3.897 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(/C=C\C(=O)O)o1)C2=O 1777455976 SVOGVPWKUUSSLW-HVTAIUIQSA-N 294.306 3.508 30 20 CHED N#CCCCCSCc1nc(Cc2ccccc2)no1 161397435 CFNQBQLNHKAKHR-UHFFFAOYSA-N 287.388 3.587 30 20 CHED Cc1nc(COc2cc(Cl)ccc2C#N)cs1 161653726 CLDVIEUUZCIKFL-UHFFFAOYSA-N 264.737 3.556 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)c(F)c1)c1ccco1 162647949 WAUKEOZCAOMYIK-HWKANZROSA-N 282.217 3.916 30 20 CHED COc1ccc(C#N)cc1CSCc1csc(C)n1 151511562 CQGXWJSMOZKBKU-UHFFFAOYSA-N 290.413 3.765 30 20 CHED C#CCOc1ccc(CNc2cccc(OCCF)c2)cc1 152093248 KAZXKVAHQZIGGZ-UHFFFAOYSA-N 299.345 3.659 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1c1cccc(C)c1C 155066390 VIRWLBHNQTUTET-GOSISDBHSA-N 298.430 3.953 30 20 CHED C=C(C)CNC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 157128059 GVCFYRVOXCSEJJ-UHFFFAOYSA-N 299.252 3.544 30 20 CHED COC(=O)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1 1637669 FHICXGSYUQUFCN-FOWTUZBSSA-N 292.334 3.686 30 20 CHED C=CCNc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 7889379 HJGCLDZZQYLDIX-UHFFFAOYSA-N 275.333 3.625 30 20 CHED Cc1cc(C#N)ccc1NC1CCN(C(C)(C)C)CC1 846748714 YIVLFVOOJMDKTB-UHFFFAOYSA-N 271.408 3.542 30 20 CHED C#C[C@H](NC(=O)C1(C(F)(F)F)CCCCC1)C(C)(C)C 854480101 PZFHNVWXHQYKBX-NSHDSACASA-N 289.341 3.663 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(Cl)s1 33192830 IZLARUFDNUKFKU-SECBINFHSA-N 282.796 3.663 30 20 CHED N#Cc1ccc(Cl)cc1NCc1ccccc1F 36954564 AKLUTCUGUWOZHF-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1F 135668234 ZCECUKQROAIXLM-VIFPVBQESA-N 278.327 3.749 30 20 CHED N#Cc1cccc(NC(=O)CCSc2cccs2)c1 20078196 VXNQJBXHKRECHR-UHFFFAOYSA-N 288.397 3.741 30 20 CHED CC(C)CN(CCC#N)Cc1nc2ccccc2s1 157803863 KGVAFLAVXUWILW-UHFFFAOYSA-N 273.405 3.668 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1 35018695 NXJNRRACVOWUAH-UHFFFAOYSA-N 287.706 3.732 30 20 CHED N#Cc1cc(NCc2ccc3c(c2)CCO3)ccc1Cl 37363237 JXGUCIKRHISQLI-UHFFFAOYSA-N 284.746 3.759 30 20 CHED C=C(Br)CN1CCC[C@H]1c1ccsc1 52441324 LLLSQYMDGZJDHF-NSHDSACASA-N 272.211 3.794 30 20 CHED N#CC1CCN(Cc2cccc3ccccc23)CC1 57907543 RZQORMPYEQSFSD-UHFFFAOYSA-N 250.345 3.575 30 20 CHED Cc1cc(F)cc(NCc2ccc(C#N)c(F)c2)c1 190391119 CJBSSKYWXUFIJU-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1c(F)cccc1NCc1ccc2c(c1)CCC2 70197059 ZBEAHNOUKKFYNF-UHFFFAOYSA-N 266.319 3.798 30 20 CHED CCc1sc(C(=O)Nc2ccc(C#N)c(F)c2)cc1C 464642836 KCNCNXRVSXYDKS-UHFFFAOYSA-N 288.347 3.882 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(C)c1ccccc1C#N 308091128 QUXVMCNCXRKTBR-ZDUSSCGKSA-N 258.365 3.593 30 20 CHED N#CCc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 313430450 UGDAKJGNXZQLDB-FWEDZOCSSA-N 266.388 3.989 30 20 CHED C=CCCN(C)Cc1ccc(C)c(Br)c1 467296357 CETDLPIJFKJQJT-UHFFFAOYSA-N 268.198 3.765 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CNCCc1cccc(C#N)c1 466426589 VHGKEEVAAFRWCT-QAPCUYQASA-N 268.404 3.683 30 20 CHED CCN(Cc1cccc(Br)c1C)C[C@@H](C)C#N 90523012 SKAGVWNHCIIBAX-NSHDSACASA-N 295.224 3.739 30 20 CHED CC[C@H](C)C[C@H](C)Nc1ncc(C#N)cc1Cl 361288291 MZCQVUPCYFTYJK-UWVGGRQHSA-N 251.761 3.843 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 6603842 SZHDEJJWNSUEOA-MRXNPFEDSA-N 279.343 3.831 30 20 CHED Cc1ccc(NC(=S)NN=C2CCCCC2)c(C)c1 7008098 DMSWQBOLARBSEI-UHFFFAOYSA-N 275.421 3.910 30 20 CHED N#Cc1ccc(Nc2cccc(N3CCCCC3)c2)nc1 54980616 STUXDTWYNOQUSJ-UHFFFAOYSA-N 278.359 3.687 30 20 CHED C=CCN(CC=C)Cc1csc(-c2ccoc2)n1 108491970 IERYOVJSTFAYDP-UHFFFAOYSA-N 260.362 3.577 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)c1cccc(O)c1)c1ccccc1 179355301 MFRILZNPTGOSKT-GJZGRUSLSA-N 295.382 3.929 30 20 CHED C=CC1CCN(C(=O)CCSc2ccc(F)cc2)CC1 171882307 STZVYGOVKVUUOG-UHFFFAOYSA-N 293.407 3.733 30 20 CHED C[C@H](CC(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 104626379 YDMLVPGHSRVZCA-OAHLLOKOSA-N 286.419 3.969 30 20 CHED N#Cc1ccccc1SCc1ccc([N+](=O)[O-])cc1 172680072 IFVANOGAAZBNBU-UHFFFAOYSA-N 270.313 3.759 30 20 CHED C=CCN(C(=O)c1ccc(C(C)=O)cc1)c1ccccc1 109741473 RFUOGAHGWVETKQ-UHFFFAOYSA-N 279.339 3.722 30 20 CHED C=CCS[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 119214907 HVJCJASVRPURBV-LBPRGKRZSA-N 285.771 3.504 30 20 CHED CCCCCC(=O)N(C)c1cc(Cl)ccc1C#N 176430257 JUCCBBNTKHKADR-UHFFFAOYSA-N 264.756 3.755 30 20 CHED C=CCC[C@H](NCC[C@H]1CCCO1)c1ccccc1 178756436 GOYNSUZGIIHBBY-SJORKVTESA-N 259.393 3.853 30 20 CHED Cc1cccnc1[C@H](NCc1cc(C#N)cs1)C(C)C 177702230 WWDWLPHXLCSNEJ-OAHLLOKOSA-N 285.416 3.810 30 20 CHED C=CCSc1nnc([C@@H](CC)c2ccccc2)o1 67953382 NHDORRLXYRVFID-LBPRGKRZSA-N 260.362 3.890 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(C(C)(C)C)ccc1O 66897425 HOJPWCNGIZJPNG-LBPRGKRZSA-N 291.391 3.609 30 20 CHED Cc1cc(N(C)C)ccc1Nc1ccc([N+](=O)[O-])cc1C#N 301121161 WRBMCYLUUMIOEE-UHFFFAOYSA-N 296.330 3.585 30 20 CHED Cc1nnc(NCC[C@H](C)c2ccccc2)c(C#N)c1C 60394037 SZCLSUNYVQWDGN-LBPRGKRZSA-N 280.375 3.571 30 20 CHED Cc1ccc(N/C(N)=N/CCc2ccc(Cl)cc2)cc1 303696050 DUURTLCARNGOMI-UHFFFAOYSA-N 287.794 3.618 30 20 CHED CCS[C@@H](C(=O)Nc1cc(C#N)ccc1C)C(C)C 66353723 XVTMHQBQQWSOJH-CQSZACIVSA-N 276.405 3.583 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCc2cccc(Cl)c21 171557233 SKUSTQIFNRGKSH-GFCCVEGCSA-N 293.794 3.600 30 20 CHED Cc1cccc(C(C)(C)NCc2cc(C#N)cs2)c1 177703661 QXYBEJOHGYIJPZ-UHFFFAOYSA-N 270.401 3.953 30 20 CHED Cc1cc2cc(C(=O)O[C@@H](C)CC#N)oc2cc1C 124273571 CFFUEPMERSOQOW-NSHDSACASA-N 257.289 3.509 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc(Cl)ccc1Cl 233294498 LBODRRSCLCPVBM-JTQLQIEISA-N 270.159 3.525 30 20 CHED C=C(C)CNC(=O)c1ccc(OCc2ccccc2)cc1 309759398 CRDBUKKUAVHPGN-UHFFFAOYSA-N 281.355 3.572 30 20 CHED C=CCCC(=O)N[C@H](C)CSc1ccc(C)cc1 187570459 CSIWDPJVHFRPAB-CYBMUJFWSA-N 263.406 3.558 30 20 CHED C=CCN(C(=O)c1cc(Cl)ncc1Cl)C(C)(C)C 129388301 AZCNIIRLIGXZBP-UHFFFAOYSA-N 287.190 3.815 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2cccs2)c1 33447058 VSKICAQVTKOVTO-FPLPWBNLSA-N 271.341 3.603 30 20 CHED Cc1cc(C)cc(C[C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 185845688 UCHXSDOOTKCJSA-XYJFISCASA-N 270.420 3.906 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCC(=O)c1ccc(C)s1 182655485 FOJKLULWUIMDAQ-GFCCVEGCSA-N 293.432 3.880 30 20 CHED N#Cc1cc(Cl)ccc1CN(C#N)c1ccccc1F 500051159 XGXJBEFQDADEQC-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C=CCn1c(SCC[C@H](C)F)nnc1-c1ccco1 505473161 GTAHXPNRORKXSA-JTQLQIEISA-N 281.356 3.564 30 20 CHED CCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 35053461 UIZODYUGVXKPON-AWEZNQCLSA-N 280.371 3.808 30 20 CHED CC[C@H](CC#N)NC(=O)c1csc(-c2ccccc2C)n1 183938761 IJFJYCUOFIWBST-GFCCVEGCSA-N 299.399 3.541 30 20 CHED CN(Cc1ccccn1)c1ccc(C#N)c(C(F)(F)F)c1 36778377 YWGNKJPUMIIHAI-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc([N+](=O)[O-])cc1 314543325 UMOWMCGGQITSNI-GFCCVEGCSA-N 297.314 3.670 30 20 CHED C=CC[C@@H](C(=O)N1CCCCCC1)c1ccccc1 189361342 FDZDEPILCNTOPO-MRXNPFEDSA-N 257.377 3.749 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)Cc2cccs2)CCC1 188100127 ZUMRWFVWDNBEIO-ZDUSSCGKSA-N 277.433 3.789 30 20 CHED COc1cc2c(cc1CNc1ccccc1C#N)O[C@@H](C)C2 316790160 BDEUEDOMKMFVDN-LBPRGKRZSA-N 294.354 3.502 30 20 CHED C=C(C)[C@H](NCCOCC(C)C)c1ccc(F)c(F)c1 501033794 VYNKCNQBCIADOQ-INIZCTEOSA-N 283.362 3.844 30 20 CHED C[C@H](CNc1ccc(C#N)cc1F)N(C)c1ccccc1 506835411 DCOJZQMHOPYRIE-CYBMUJFWSA-N 283.350 3.634 30 20 CHED COc1cc(C#N)ccc1CN1[C@H](C)C[C@@H]2CCCC[C@H]21 501209655 OPVLDABCWUGMHZ-UKPHBRMFSA-N 284.403 3.720 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(C)cc1OCC 188506610 YEBRKHOTQONMPF-QGZVFWFLSA-N 275.392 3.612 30 20 CHED C[C@]1(CNc2ccc(C#N)c(Cl)c2)CCCS1 126424682 AZDDWOMWKLIQOU-CYBMUJFWSA-N 266.797 3.909 30 20 CHED CCN(CCC#N)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 121394989 QUAFPHPOLNUKSE-AWEZNQCLSA-N 298.390 3.650 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccc(C)cc2[nH]1 74043595 UHNPZWDXGWWRPI-UHFFFAOYSA-N 256.349 3.515 30 20 CHED Cc1nn(-c2ccccc2)cc1NCc1ccc(C#N)cc1 183090510 JASHCYFWKZNFFJ-UHFFFAOYSA-N 288.354 3.665 30 20 CHED CCCC[C@H](CC)C(=O)N(CCC#N)CC(F)(F)F 361859871 TYHPOZIMNDVUML-NSHDSACASA-N 278.318 3.507 30 20 CHED C=CCOc1cccc(CNc2nnc(C(C)C)s2)c1 181561118 INXYKXQMLHQGGP-UHFFFAOYSA-N 289.404 3.838 30 20 CHED CC[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(F)cc1F 126024714 YDFVPAJSXULJSG-AWEZNQCLSA-N 292.329 3.616 30 20 CHED C=CCCCCCN(C[C@H]1CCCO1)[C@H]1CCSC1 488123938 JDUGVBWCFBSBAY-JKSUJKDBSA-N 283.481 3.719 30 20 CHED CCCCC1CCC(CNC(=O)NCCCCC#N)CC1 508390253 ZUTGAPQYXSVNHS-UHFFFAOYSA-N 293.455 3.976 30 20 CHED CCc1nnc([C@H](C)SCc2ccc(F)cc2C#N)o1 125492166 RXWGSXZORLOMGQ-VIFPVBQESA-N 291.351 3.637 30 20 CHED CC(C)CCCCC(=O)N[C@@](C)(C#N)C(C)(C)C 410671661 HGUUTPZIPKUEQN-HNNXBMFYSA-N 252.402 3.647 30 20 CHED CC(C)(C#N)CCCN[C@H](Cc1ccccc1)C1CC1 183385825 DYOHZHAPAPYZJR-QGZVFWFLSA-N 270.420 3.927 30 20 CHED N#CC1(C(=O)OCc2ccc(Cl)cc2)CCCCC1 72029713 ZPWNWLXKJASURI-UHFFFAOYSA-N 277.751 3.857 30 20 CHED C=CCCCC(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 507770271 LHIGPPAAGGSGOH-VKJFTORMSA-N 291.435 3.539 30 20 CHED C[C@H](c1nc2ccccc2o1)N(C)Cc1ccc(C#N)cc1 180912285 LDWHNYZRHYGIFO-CYBMUJFWSA-N 291.354 3.892 30 20 CHED C[C@H](CCC#N)N1CCC(Cc2cc(F)ccc2F)CC1 411807383 KJXZIPWLVWUGCR-CYBMUJFWSA-N 292.373 3.912 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1ccccc1 185026832 JRGNSZHDIYYKDS-INIZCTEOSA-N 255.361 3.544 30 20 CHED C#CCCCNC(=O)N1CCCC2(CCCCC2)CC1 189803540 YPFUPXBFMDNIRF-UHFFFAOYSA-N 276.424 3.546 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(C)c(SCC#N)s1 134952737 CEGIKKILPCDBFU-ZDUSSCGKSA-N 295.433 3.608 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N 180034189 ZKVJQPBTEWIVOG-FRRDWIJNSA-N 289.379 3.534 30 20 CHED Cc1ncsc1N=C(O)[C@H]1CCC(=O)[C@H](C)C1(C)C 329601930 XTLQIOVQWIZNJS-WCBMZHEXSA-N 280.393 3.681 30 20 CHED C=C[C@H](CO)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 414163390 NCOOTWGTQZJSAZ-BMFZPTHFSA-N 279.811 3.503 30 20 CHED N#Cc1ccc(NCc2c[nH]nc2-c2ccccc2)cc1 41638100 GJVRSQCNJJSSMR-UHFFFAOYSA-N 274.327 3.560 30 20 CHED COc1cc(C#N)cc(OCC2CCC(F)(F)CC2)c1 413007861 VIBPDOQUOKEQLA-UHFFFAOYSA-N 281.302 3.771 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cnc3ccccc3c2)CCC1=O 328907342 LLIRHIYWYUVCBV-DGCLKSJQSA-N 282.343 3.828 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1ccccc1SC 130198877 APPJAVICRKYUQU-UHFFFAOYSA-N 298.367 3.541 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc(C#N)s1 134506878 YPKWCMNHSKOKGW-HWKANZROSA-N 259.355 3.886 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(F)c(F)c2)no1 191165442 PDNUJZUOMUUABR-AWEZNQCLSA-N 264.275 3.869 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/CC(C)(C)C2CCCC2)C1 328992248 SRIPLQNUEDGVFW-AAEUAGOBSA-N 280.412 3.914 30 20 CHED CC(C)(C#N)CCC[S@@](=O)c1cccc(Cl)c1 87611137 FQPKXLHFCFKWNY-KRWDZBQOSA-N 269.797 3.778 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cc(C#N)n(C)c2)C1 191382572 CTTVAKLNBGDBKP-FZKQIMNGSA-N 297.377 3.619 30 20 CHED CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1F 424328469 ODHWBHZQRDXXKS-GHJWDPDVSA-N 278.346 3.944 30 20 CHED Cc1nc2c(/C(O)=N/[C@@H]3C=CCCC3)cccc2o1 329964846 USYLTRQLTRNFIN-LLVKDONJSA-N 256.305 3.550 30 20 CHED Cc1noc(C2CC2)c1N=C(O)NC1(c2ccccc2)CC1 329770695 JAAIEHPLINQTPW-UHFFFAOYSA-N 297.358 3.685 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccccc2C#N)cc1 194590696 FTLKRMZVUOPWIQ-FMIVXFBMSA-N 276.339 3.520 30 20 CHED Cc1occc1/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1 328613087 QRQWXOUUVPMCPG-GDBMZVCRSA-N 285.343 3.670 30 20 CHED CC#CCNC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 136012507 ZHCXIHAVUIAEBH-OAHLLOKOSA-N 284.403 3.583 30 20 CHED Cn1cc(CNc2ccc(CC(F)(F)F)cc2)cc1C#N 191187729 GRSQQOXNKVXZAA-UHFFFAOYSA-N 293.292 3.614 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 44812946 QCDCXDMHDNPROH-BDAKNGLRSA-N 285.174 3.720 30 20 CHED C[C@@H](CCC(=O)NCc1ccc(C#N)s1)c1ccccc1 421604730 QZFWGAVUUJDUSL-ZDUSSCGKSA-N 298.411 3.820 30 20 CHED C[C@H](NCCCN(C)C1CCCCC1)c1cccc(C#N)c1 193435709 OWMIFJXMKOPSIS-INIZCTEOSA-N 299.462 3.863 30 20 CHED C=CCOc1ccc(CN2CCCC[C@H]2C=C)cc1OC 426580410 QQDAAQPODIHUNX-MRXNPFEDSA-N 287.403 3.801 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C[C@H]2C=CCC2)n1 80455218 JDRDOWLOFASHKU-NWDGAFQWSA-N 274.389 3.799 30 20 CHED COc1ccc(OCCSCC(C)(C)CC#N)cc1 514949420 FGLWCRWTBNEQAN-UHFFFAOYSA-N 279.405 3.747 30 20 CHED COCCC1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCCC1 193308947 ITYJKUMFMKIFTP-HZPDHXFCSA-N 278.440 3.645 30 20 CHED CCCCCCCC(=O)N1CCS[C@H](C)CC1 191357500 LXCBUUGSUFZLEI-CYBMUJFWSA-N 257.443 3.701 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(COC)cc1 339012249 WODBSWHZZCWZTH-UHFFFAOYSA-N 288.435 3.985 30 20 CHED C=CCCCC(=O)N[C@@H](COC)c1ccc(Cl)cc1 193512695 PVCNQBCUAACCRK-AWEZNQCLSA-N 281.783 3.500 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 425114819 SXBNQHXWNIMTRE-ZCPGHIKRSA-N 282.387 3.514 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 424575085 VNGNAVVTVUXXGN-DVOMOZLQSA-N 270.376 3.562 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)cc1 336063511 YHAAXPXSDHVDRD-SWLSCSKDSA-N 283.375 3.504 30 20 CHED COc1cc(C)cc2c1OC/C(=C\c1cccs1)C2=O 147727756 OFDURMLSKXIFTB-DHZHZOJOSA-N 286.352 3.724 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@](C)(C#N)CC 516111411 QSAQJPIAKGLBJF-SJLPKXTDSA-N 286.419 3.714 30 20 CHED C=CCCCCCCNCc1ccc(C(=O)O)s1 382161794 MYYWUARZLIUCEM-UHFFFAOYSA-N 267.394 3.672 30 20 CHED N#Cc1ccn(CCOc2cccc3ccccc23)c1 339196043 KSJFFJRNMUMUOC-UHFFFAOYSA-N 262.312 3.592 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N(C)c2ccc(C#N)cc2)CC1 510261838 ZVGSSHXBEPRVLR-WKILWMFISA-N 284.403 3.983 30 20 CHED Cc1ccc(C[C@H]2CCCN(c3cccnc3C#N)C2)cc1 514698277 HVMMRFFVSGVEPF-QGZVFWFLSA-N 291.398 3.721 30 20 CHED CC1(C)CCC[C@@H](c2noc(-c3ccc(C#N)o3)n2)C1 426584152 NUOYZRJCUYRIEL-SNVBAGLBSA-N 271.320 3.885 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1 617784553 UKHWLYIKMWHHFP-JTQLQIEISA-N 283.293 3.532 30 20 CHED CC[C@H](C)[C@H](NCCOCCC#N)c1ccc(Cl)cc1 339070903 KQCNTFWWYBSBQQ-BBRMVZONSA-N 294.826 3.947 30 20 CHED C=C(C)CNC(=O)Nc1ccc(OCc2ccccc2)cc1 429207416 XECYECQYSFHWGP-UHFFFAOYSA-N 296.370 3.963 30 20 CHED C#CCCOc1ccc(CNC(C)(C)CCC)cc1 236767131 DXZPGRHVBUJDDS-UHFFFAOYSA-N 259.393 3.757 30 20 CHED C[C@H]1CCCC[C@H]1OCCNc1ncc(C#N)cc1Cl 339136757 LPPAJCVQTCKFLF-SMDDNHRTSA-N 293.798 3.614 30 20 CHED N#CCC1(CNc2c(F)cccc2Br)CC1 232126412 DTOSFNQRQZSSDL-UHFFFAOYSA-N 283.144 3.694 30 20 CHED CN(Cc1ccc(F)c(F)c1)c1ncc(C#N)cc1Cl 339131343 DQRPQZDOSZHEGT-UHFFFAOYSA-N 293.704 3.521 30 20 CHED C=CCOc1ccc(CNCC(C)(C)OCC)cc1Cl 436402862 CBSRWBJUMKBGQU-UHFFFAOYSA-N 297.826 3.810 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1ccc(O[C@H](C)C#N)cc1 237586187 XPUZBHZPVBISFV-ZXFNITATSA-N 286.419 3.892 30 20 CHED CC(C)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)Nc1ccccc1 248845805 OFHNEPMTRROUOA-NXHRZFHOSA-N 285.435 3.795 30 20 CHED C=C(C)CCc1noc(-c2cncn2-c2ccc(F)cc2)n1 347217216 MWNLDSQWJJSFOZ-UHFFFAOYSA-N 298.321 3.570 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc(C2CC2)s1 523511595 OOHQQTJJEDEACB-UHFFFAOYSA-N 278.421 3.839 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc2c(s1)CCC2(C)C 529495489 BHRDQBGDCVXSRI-UHFFFAOYSA-N 291.420 3.635 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1nc(C(C)C)c(C)s1 344058754 FLACXAKTFBTMBU-OAHLLOKOSA-N 280.437 3.793 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCCCCC 522755271 CZMMGZAJABENPL-CYBMUJFWSA-N 257.443 3.723 30 20 CHED CCC(CC)N(CC)C(=O)c1cccc(SCC#N)c1 346277897 RMMDOSSYAFYPIN-UHFFFAOYSA-N 290.432 3.953 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCCOc3ccccc32)C1 248862178 PUXSIKXMMQYGPA-FMKPAKJESA-N 270.376 3.572 30 20 CHED CC(C)CC(CC(C)C)NC(=O)c1cc(C#N)cs1 437552716 BRZAOCBHPDMLEC-UHFFFAOYSA-N 278.421 3.810 30 20 CHED N#CCC[C@@H](C#N)COc1ccc(C2CCC2)cc1 342443854 WABBFAXFJGPKMY-ZDUSSCGKSA-N 254.333 3.776 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(Br)o1 620864737 NFIJLOLLHWCXDP-UHFFFAOYSA-N 286.169 3.517 30 20 CHED Cc1cccc(OCCN(C)c2ccc(F)cc2C#N)c1 609494952 HENCLROSPVGZDT-UHFFFAOYSA-N 284.334 3.521 30 20 CHED N#Cc1cccc(/C=C2/Cc3ccc(F)cc3C2=O)c1 255169343 RMYBTMYSVARROQ-AUWJEWJLSA-N 263.271 3.520 30 20 CHED CC(C)C[C@H]1CCCCCN1C(=O)Cc1ccc(C#N)cc1 524724845 QZBYBBJLGDXSPO-GOSISDBHSA-N 298.430 3.918 30 20 CHED N#Cc1csc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1 255454494 JFOGCADMRUIWLR-LFYBBSHMSA-N 286.743 3.766 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccnc(-c2ccccc2)c1 348844419 NKQLZIUFEXJDLF-ZDUSSCGKSA-N 281.359 3.835 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(Cl)cn1 348235338 ZILGNLVIXGAULR-LLVKDONJSA-N 265.788 3.716 30 20 CHED CSC1CCN(c2nc3ccccc3c(C)c2C#N)CC1 601207116 XEMWMCNWJZFRGD-UHFFFAOYSA-N 297.427 3.747 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CCCc1c[nH]c2ccccc12 608823310 NDSUWHCCOGZTBD-HNNXBMFYSA-N 297.402 3.545 30 20 CHED CC(C)C[C@H]1C[C@@H](NC2CCC(C)(C#N)CC2)CCO1 449253334 SLYYITKCDWVLNH-YZUHTNEWSA-N 278.440 3.642 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](CC)C1CCC(C)CC1 359602317 YGZPVINSABRAQT-PFSRBDOWSA-N 264.413 3.647 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 609116779 DGYUCGRQXLQAAD-MSOLQXFVSA-N 298.430 3.966 30 20 CHED C=CCN(C)C(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1 353767699 MIIRLTNFSNSTIC-UHFFFAOYSA-N 297.320 3.673 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](COC)c1ccc(CC)o1 532235922 NDLLIYKQQMUZGA-YDHLFZDLSA-N 265.397 3.720 30 20 CHED Cc1ccc(O)c(NC(=O)C[C@H](CC#N)c2ccccc2)c1 356528366 GGWVIEWSAVREFN-HNNXBMFYSA-N 294.354 3.727 30 20 CHED CCCN(C(=O)c1ccc(C#N)[nH]1)[C@H](CC)c1ccccc1 269760069 WYJHMOPLRSPLFP-QGZVFWFLSA-N 295.386 3.890 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N[C@@H](C#N)C(C)C)oc12 264635307 OWTDLAWKSFOJHG-ZDUSSCGKSA-N 284.359 3.636 30 20 CHED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCC1 610549546 XYPQIZRZKFTXOA-JTQLQIEISA-N 288.416 3.873 30 20 CHED CCCCOC1CCN(CC(C)(C)CCC#N)CC1 353997907 OZXTXZAMOKHSLF-UHFFFAOYSA-N 266.429 3.597 30 20 CHED Cc1cc(C#N)cc(NCCCc2ccc(C)nc2)c1 449759475 JLQQLWSLNODORJ-UHFFFAOYSA-N 265.360 3.615 30 20 CHED N#Cc1ccccc1S[C@H](C#N)Cc1ccccc1 610339915 KTUKJAZDMFKYMD-HNNXBMFYSA-N 264.353 3.785 30 20 CHED Cc1ccc(-c2nc(CNCC(C)(C)C#N)cs2)cc1 612585328 XOKZKSVTRFYYIG-UHFFFAOYSA-N 285.416 3.758 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC1(C)C)c1ccccc1 532942508 HUZNZOGIZRIDQM-OAHLLOKOSA-N 272.392 3.888 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1ccc2[nH]ccc2c1 350203164 DZOQMXJDZQQBEY-UHFFFAOYSA-N 289.338 3.706 30 20 CHED Cc1cccc2c(N3C[C@@H](C)[C@H](C)C3)c(C#N)cnc12 610587450 WLDJNYHDMZCQLI-CHWSQXEVSA-N 265.360 3.507 30 20 CHED C=CCN(C(=O)C[C@H](CC)c1ccccc1)C1CC1 537933981 SZOHRHPWEIGNTC-AWEZNQCLSA-N 257.377 3.747 30 20 CHED C=CCCCNC(=O)Nc1cnn(-c2ccccc2)c1CC 448079620 HECBASMAZLDODG-UHFFFAOYSA-N 298.390 3.522 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 618807249 WSSVNVIHISPYSC-ORAYPTAESA-N 287.366 3.768 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@]1(C)C[C@H]1c1ccccc1 356481581 UHNSICVHANOGLV-HKUYNNGSSA-N 290.366 3.543 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc(F)cc1[N+](=O)[O-] 618694473 KVTXXMHAOAUBCH-CQSZACIVSA-N 297.289 3.705 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C[C@H]1CCc2ccccc21 613363450 KLRFWNFFTGVRQP-RDTXWAMCSA-N 284.403 3.551 30 20 CHED C=CCN(C(=O)CC[C@@H](C)c1ccccc1)[C@@H](C)COC 617580763 DXPXRRISNPGRIT-CVEARBPZSA-N 289.419 3.620 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1ccc2c(c1)CCC2 459332699 YWRVJYIBBPDQCN-UONOGXRCSA-N 256.393 3.718 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1ccc(C)c(C)c1 454910236 KWUVGBMBJOSUOJ-INIZCTEOSA-N 274.408 3.800 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1nc(C(C)C)c(C)s1)OCC 617247015 XZMQSMNQLWEISC-GFCCVEGCSA-N 296.436 3.885 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc(F)c(C2CC2)c1 459530007 AQJIBRKXCGSCEW-UHFFFAOYSA-N 289.354 3.764 30 20 CHED CC[C@@H](C)CCCCC(=O)N(CCC#N)C(C)C 612282229 CWAOHPPBTUPJMW-CQSZACIVSA-N 252.402 3.744 30 20 CHED N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1F 362299908 JAVXMAXIKFIDEN-UHFFFAOYSA-N 298.292 3.507 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H]1CCC(C)C)OCC 534452402 UADLGMZJODFUTH-HOTGVXAUSA-N 281.440 3.785 30 20 CHED C=CCCCN[C@H](CCO)c1cccc(C(F)(F)F)c1 451313928 WIAYVAZCJGDLBJ-CQSZACIVSA-N 287.325 3.685 30 20 CHED N#Cc1ccc(CN2CCC3(CC2)CC3)c(OC(F)F)c1 611177667 SKCJYAQIMSOGGZ-UHFFFAOYSA-N 292.329 3.536 30 20 CHED CC(C)N(C(=O)C[C@@H](CC#N)c1ccccc1)C(C)C 361679329 UVORSBXWWROOHK-MRXNPFEDSA-N 272.392 3.719 30 20 CHED N#CC1(CN2CCC[C@@H]2c2ccc(F)cc2F)CCC1 451972434 OKLZIWGMIJDNHP-OAHLLOKOSA-N 276.330 3.796 30 20 CHED CCCC[C@@H](CCC)NC(=O)[C@]1(C#N)CC12CCCC2 450105016 MUGFCOISJGMFAF-RHSMWYFYSA-N 276.424 3.936 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)C(CC)CC)C1 617781676 RNJXHOVUODGNFR-KGLIPLIRSA-N 251.414 3.873 30 20 CHED C=C(C)[C@H](Cc1nc(-c2c[nH]c3ccccc23)no1)OCC 278274620 VUMLTMGMYYDOFB-HNNXBMFYSA-N 297.358 3.742 30 20 CHED C=CCC[C@@H](C(=O)N(C)Cc1ccccn1)c1ccccc1 275189928 YHHPDXZAXBFFEJ-GOSISDBHSA-N 294.398 3.790 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC2(CCC2)c2ccccc21)OCC 360499769 IBUABKVPQPRFCG-QGZVFWFLSA-N 299.414 3.826 30 20 CHED CCC[C@@H](OC)c1noc(/C=C\c2ccc(C#N)cc2)n1 453203799 QSAMVTHVVBJZDE-CFYYFVFUSA-N 283.331 3.599 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc(SCC)cc1 453347666 INNMHQIQFXHMJM-ZFWWWQNUSA-N 279.449 3.776 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H]1CCc2sc(Cl)cc21 454994022 MJSDHMRLKXSWIA-JTQLQIEISA-N 298.839 3.900 30 20 CHED Cc1nsc(Sc2ccccc2F)c1C#N 360849748 KGGBWCBNSXEIIW-UHFFFAOYSA-N 250.323 3.614 30 20 CHED Cc1cc(CN(C2CC2)[C@H](C)C2CC2)ccc1C#N 362924155 NLTQMQOWWUACMO-CYBMUJFWSA-N 254.377 3.630 30 20 CHED C=CCCc1noc([C@H](c2ccccc2)N(CC)CC)n1 453241157 VOFRINSGRJYOGU-INIZCTEOSA-N 285.391 3.619 30 20 CHED C=C(CC)CN[C@@H](C)c1nc2ccc(Cl)cc2n1C 453353436 JCQSCQQTIVSYPW-NSHDSACASA-N 277.799 3.844 30 20 CHED N#C[C@@H](C(=O)c1ccsc1)c1cc(C(F)(F)F)ccn1 362141326 WXWMPKRENHPQNP-SNVBAGLBSA-N 296.273 3.652 30 20 CHED CCC(CC)n1ccc(C(=O)Nc2ccccc2CC#N)n1 361006677 JNOOJMDCRYHSLG-UHFFFAOYSA-N 296.374 3.563 30 20 CHED C=CCCCC(=O)Nc1ccc(C(=O)C(C)C)cc1 452937383 MXJZTVVMQRUDBB-UHFFFAOYSA-N 259.349 3.820 30 20 CHED C=CCCc1noc([C@@H]2Cc3ccccc3S2)n1 453245814 IUWNLJMGQJGTKQ-LBPRGKRZSA-N 258.346 3.578 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H](C)C1 540645855 MRTXZGUUVKEDLG-KGLIPLIRSA-N 275.367 3.777 30 20 CHED C=CCN(C)C(=O)c1oc2ccc(CCC(C)=O)cc2c1C 548618759 YYNYGZHXNLYDLT-UHFFFAOYSA-N 299.370 3.521 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(Cl)c1F 274290017 CAVXVXNBKYAQFD-CQSZACIVSA-N 282.746 3.537 30 20 CHED C/C=C(\CC)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 375472298 KGACNMNHAJJUFZ-CRKCGEKBSA-N 280.371 3.530 30 20 CHED CCOC1CC(CNc2ccc(OC(C)C)c(C#N)c2)C1 284968148 AFJGBNUISUHIHO-UHFFFAOYSA-N 288.391 3.572 30 20 CHED C[C@H](C(=O)N[C@@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 462327015 VHYRNJRAIMYXNJ-XJKSGUPXSA-N 284.403 3.747 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 620864173 TWFUOZIRJSATNU-CQSZACIVSA-N 275.392 3.623 30 20 CHED C=CCN(C(=O)c1cc(F)c(F)c(F)c1F)C(C)(C)C 622942461 MIGFBRJEVDETJS-UHFFFAOYSA-N 289.272 3.670 30 20 CHED CO[C@]1(C)C[C@H](Nc2ccc(C#N)c(Cl)c2)C1(C)C 467025937 VKZKSVVANHIDNY-DZGCQCFKSA-N 278.783 3.827 30 20 CHED C[C@@H]1CCC[C@@H]1CNC1CCN(c2ccc(C#N)cc2)CC1 552260635 LLCRSLKWAUWGRB-NVXWUHKLSA-N 297.446 3.553 30 20 CHED COc1cccc2c1CCCN2Cc1cc(C#N)cs1 552086167 ZSDFJFROYWSBLU-UHFFFAOYSA-N 284.384 3.581 30 20 CHED CC1CCC(CC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 557205366 GQDQCOAADYAJEQ-UHFFFAOYSA-N 296.414 3.880 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(Cl)cc1OCC 467964492 SCMMCQJSVYBWKD-INIZCTEOSA-N 295.810 3.957 30 20 CHED CC1(C)[C@@H](Oc2ccccc2)C[C@H]1NCCCCC#N 284299618 KSLGPTUZIFOXHY-CVEARBPZSA-N 272.392 3.516 30 20 CHED C#CCCCC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 288433365 OLTWGMLTDVCXDD-DOTOQJQBSA-N 269.388 3.790 30 20 CHED C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCCC1 555237603 HLSDRQMDOAAVDT-UHFFFAOYSA-N 288.439 3.577 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC[C@@H](C)CC(C)(C)C 468082171 WPFMSZPPYFSKFW-PBHICJAKSA-N 283.456 3.794 30 20 CHED CC(C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 280273893 MTWMYKUKNSAXBL-UHFFFAOYSA-N 270.376 3.501 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 285614398 JIANXDGHDAHBSW-XPTSAGLGSA-N 267.275 3.509 30 20 CHED C[C@@H](N=c1[nH]ccc(C#N)c1Cl)c1cc2ccccc2o1 557659440 UJCZRVKDCNIFBL-SNVBAGLBSA-N 297.745 3.948 30 20 CHED CC[C@H](N[C@H]1CCCC12CCOCC2)c1ccc(C#N)cc1 282697567 KSIOJKMTEWXTJB-ROUUACIJSA-N 298.430 3.948 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 474099034 WWTHPDKDJWRFAJ-SOUVJXGZSA-N 264.413 3.563 30 20 CHED N#CCCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 290981227 QDDJAYUZXALOIQ-GFCCVEGCSA-N 294.807 3.687 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@H](C)[C@H]1C 806003298 BVCNPNZQEQUHGD-UONOGXRCSA-N 252.402 3.563 30 20 CHED C#C[C@H](NCc1cnc(-c2ccccc2)s1)C(C)C 809685749 OVPMDMGMSVRKEV-HNNXBMFYSA-N 270.401 3.558 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC(CF)CC3)c2c1 295063345 VPKXDOFNRGJMAO-UHFFFAOYSA-N 283.350 3.601 30 20 CHED C[C@H](C#N)OCCS[C@H]1CCc2c(Cl)cccc21 802753209 XMEIPRRTHZDQOQ-YGRLFVJLSA-N 281.808 3.989 30 20 CHED C#C[C@H](N[C@@H](C)Cc1ccccc1SC)C(C)C 809685439 UFPRENLPVHSXCG-ZFWWWQNUSA-N 261.434 3.587 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2cccc(O)c2)n1 560024650 KSTBXUCPHDDCRD-CMDGGOBGSA-N 270.332 3.799 30 20 CHED C=CCCCCNC(=O)Cc1c[nH]c2ccc(Cl)cc12 471705409 KGIUWLXVMVKVQM-UHFFFAOYSA-N 290.794 3.836 30 20 CHED CC(C)CCC1CCN(c2cccnc2C#N)CC1 565514179 TUPISOVMNIZZLR-UHFFFAOYSA-N 257.381 3.606 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(F)c(F)c1 807990243 YQWPQJHMOPIIOJ-UHFFFAOYSA-N 291.257 3.627 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[C@@H](C)C1 476744004 WEVVAMVTPTWJRW-DOMZBBRYSA-N 285.391 3.815 30 20 CHED C=CC[C@@H](CC)NCc1cc(O)cc(C(F)(F)F)c1 566591104 RYLLOZBKNPBEGM-GFCCVEGCSA-N 273.298 3.855 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(OCC#N)cc1 806176565 MPUKRBLLLCTAKY-CQSZACIVSA-N 285.391 3.570 30 20 CHED CC(C)N(CCC#N)[C@@H](C)CCc1cccc(F)c1 566936783 YSLAPHGPPQDTQG-AWEZNQCLSA-N 262.372 3.771 30 20 CHED C=C(C)CNC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 488591986 RCESDJDIOZTKOE-OAHLLOKOSA-N 272.392 3.674 30 20 CHED Cc1ccsc1-c1noc(Cc2ccccc2CC#N)n1 810315634 DHXNIHHHHJEHNB-UHFFFAOYSA-N 295.367 3.763 30 20 CHED CC(C)n1cncc1C=NN1CCC(C(C)(C)C)CC1 819809272 DPGRJCDQMSHRSW-UHFFFAOYSA-N 276.428 3.556 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)CCCC)c1ccc(Cl)cc1 811950225 ZECSWLUNRGZZAI-IUODEOHRSA-N 277.795 3.957 30 20 CHED CCC(=NNC1CCCC1)c1ccc(Cl)c(N)c1 814832853 PMHWIAKSWRBSSY-UHFFFAOYSA-N 265.788 3.569 30 20 CHED FC(F)(F)c1ccc(CON=C[C@@H]2CCCOC2)cc1 814882435 OUWFTLMMMQOMHD-LBPRGKRZSA-N 287.281 3.634 30 20 CHED CC(F)(F)C(=O)Nc1cccc(C#Cc2cccs2)c1 814883506 PWMXRSOCTWFGAS-UHFFFAOYSA-N 291.322 3.742 30 20 CHED Cc1cc(CN(CCC#N)CC(C)(C)C)ccc1N(C)C 815052104 CMXCSYSQQQPCLC-UHFFFAOYSA-N 287.451 3.823 30 20 CHED Cc1ccc(NN=Cc2cccc3cccnc23)cc1 818198488 UHGVGSDZGOTIQN-UHFFFAOYSA-N 261.328 3.989 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C)CC)c1ccc(Cl)cc1 811949307 UOUGOQPRWDQAOZ-BXUZGUMPSA-N 263.768 3.567 30 20 CHED C#CCC1(C(=O)NC[C@@H]2C[C@H]2C2CCC2)CCCCC1 819604247 TWQCRCWXXQEMSU-HOTGVXAUSA-N 273.420 3.513 30 20 CHED COc1cc(C=NNc2ccccc2F)cc(Cl)c1O 812459662 DSGMJYLILWHIIG-UHFFFAOYSA-N 294.713 3.639 30 20 CHED Cc1cccnc1NN=C1CCC[C@H]1C(C)(C)C#N 814911416 GLUAQLPRCIQUHJ-GFCCVEGCSA-N 256.353 3.508 30 20 CHED CCC(=NOC/C=C/Cl)c1ccc(Cl)c(N)c1 814933929 FLPFJDCTGCAYFC-PWCPDNTMSA-N 273.163 3.805 30 20 CHED C=CCCCC(=O)N[C@H]1CCCO[C@@H]1c1ccc(C)cc1 480024234 ZEOBKGVYYJQPIJ-FUHWJXTLSA-N 287.403 3.688 30 20 CHED N#CC1(N(C(=O)c2cccc(C3CC3)c2)C2CC2)CCC1 571937522 ZWNDFGQSHAGEFA-UHFFFAOYSA-N 280.371 3.615 30 20 CHED COc1ccc(C(=O)OC2(CC#N)CCC2)cc1C1CC1 810855902 YJEKAJUOHRSJLR-UHFFFAOYSA-N 285.343 3.566 30 20 CHED Fc1cc(F)cc(C2CC(=NNCCC(F)(F)F)C2)c1 814920174 CSGXHUNBYBJDBV-UHFFFAOYSA-N 292.251 3.740 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(CC)c1 486755256 OWKRXCNMTVZCDD-HNNXBMFYSA-N 258.365 3.821 30 20 CHED Cc1ccc2c(c1)CN(CC#Cc1ccc(F)cc1)C2 483321802 JGFLXSZFHAWCOH-UHFFFAOYSA-N 265.331 3.501 30 20 CHED C=CCCCCSCc1cccc(S(C)(=O)=O)c1 578865765 PQHSBBLKQXQXHU-UHFFFAOYSA-N 284.446 3.680 30 20 CHED Clc1cccc(NN=C2CC[C@H]3CNc4cccc2c43)n1 814939349 NVHRFWDRGHDUQZ-JTQLQIEISA-N 298.777 3.854 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)s1 487642224 RADHXYKHLMVZSS-HUUCEWRRSA-N 296.395 3.686 30 20 CHED c1ccc(-c2noc(NN=C3CC[C@@H]3C3CCC3)n2)cc1 814829201 LOSDUDBSFXIPNC-CYBMUJFWSA-N 282.347 3.715 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCCC[C@H]1CCC 815371026 FWYMQIQENJKFGX-NEPJUHHUSA-N 259.340 3.673 30 20 CHED C=CCCCCCN1CCN(C2CCC(C)CC2)CC1 487924165 ZYSYCWYDTJAEGJ-UHFFFAOYSA-N 278.484 3.929 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2cc(OC)ccc2c1 816642514 BRXOUPLARCVNAV-UHFFFAOYSA-N 291.297 3.998 30 20 CHED CCc1ccc(CN(C)Cc2ccc(F)cc2C#N)cc1 488067481 RCKQPQGFCOTKGY-UHFFFAOYSA-N 282.362 3.892 30 20 CHED CCCC[C@H]1CCCC1=NNC(=S)NCC1CCC1 727652435 IPJVLBYFDIOCOS-ZDUSSCGKSA-N 281.469 3.597 30 20 CHED Cc1cc(/C=C2/COc3ccccc3C2=O)ccc1F 729149449 HTPSSDVKODFJFS-LCYFTJDESA-N 268.287 3.793 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 828108562 LZAZFMNRGABBIY-JTQLQIEISA-N 284.186 3.830 30 20 CHED C=CCCCSCc1ccc(C(=O)O)c(F)c1 825671272 KBQYEMYFEHCEJB-UHFFFAOYSA-N 254.326 3.723 30 20 CHED CC[C@H](NC(=O)CCCCCC#N)C1CCCCC1 588155621 VSKLTJGWLWQQKP-HNNXBMFYSA-N 264.413 3.936 30 20 CHED C=CCC1(NC(=O)Nc2cn(C)nc2C(C)C)CCCC1 666997997 XQCMWVVUTFWVIN-UHFFFAOYSA-N 290.411 3.554 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 666824780 CLQLANVMBSJYDY-DZGCQCFKSA-N 290.794 3.580 30 20 CHED C#CC[C@@H](NC[C@H](Cc1ccccc1)OC)c1ccccc1 828687495 LBYWWCBVSXVUDP-VQTJNVASSA-N 293.410 3.598 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cn1 588480271 MDBCHLUDYFGJEB-HYXAFXHYSA-N 290.750 3.719 30 20 CHED C=CCN(C)C/C(C)=C/c1ccccc1OC(F)F 582518150 JUUPJMUIGSBOHZ-ZRDIBKRKSA-N 267.319 3.809 30 20 CHED C=CCC[C@@H](NCc1c(Cl)cccc1Cl)C(=O)O 901692672 OWHKAFMOUNBEKO-GFCCVEGCSA-N 288.174 3.502 30 20 CHED CC#CCCNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 499017798 UXFSHEHSGQBJNS-GFCCVEGCSA-N 297.320 3.729 30 20 CHED CC(CSC(C)(C)C)=NNc1ccc(C(=O)O)c(F)c1 835009663 AKYLTEHXJGJPLC-UHFFFAOYSA-N 298.383 3.843 30 20 CHED C#CC[C@@H](NC(=O)C1=CC[C@H](C)CC1)c1ccccc1 836779602 HESARVOYEOUVHQ-WMLDXEAASA-N 267.372 3.614 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](CC)c1ccc(C)cc1 835112387 XTRYAHQACIWJHB-PMPSAXMXSA-N 274.360 3.580 30 20 CHED CCO[C@H]1CC(=NN[C@H](C)c2ccccc2)C1(C)C 736430284 UZAYEYAWZXKAQT-DOMZBBRYSA-N 260.381 3.528 30 20 CHED C=CCN(C(=O)N[C@H](c1ncccc1C)C(C)C)C(C)C 734675544 INPASHODYTVSNS-HNNXBMFYSA-N 289.423 3.693 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)c2ncccc12 904181473 OYSNZEFJMYLJLH-GOSISDBHSA-N 295.386 3.601 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)OCc1csc2ccccc12 835441400 FVGGEPMLJPBQMY-KGLIPLIRSA-N 288.368 3.536 30 20 CHED CC(C)(CCC#N)COC(=O)C(C)(C)C1CCC1 835387957 YEYQYMVRXZRFBG-UHFFFAOYSA-N 251.370 3.686 30 20 CHED CCCCCCCCC(=O)NCCc1ccc(C)cn1 837227043 FTBOLTQOUODLNB-UHFFFAOYSA-N 276.424 3.799 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1cccc(OCC#N)c1 731320970 CJMYHBVSRKOKPM-VMPITWQZSA-N 295.313 3.933 30 20 CHED Fc1ccc(NN=C(CC(F)(F)F)c2ccccc2)nc1 731319581 WJEHDUYZTVTKGQ-UHFFFAOYSA-N 297.255 3.989 30 20 CHED CCc1ccc([N+](=O)[O-])cc1NC(=O)CCCCCC#N 589808181 CMGLWLDGEPGYSR-UHFFFAOYSA-N 289.335 3.570 30 20 CHED Cc1ccc(C(=O)OCC2(C#N)CCCC2)c(C(C)C)n1 835283113 QKRWOFDKDRUSEO-UHFFFAOYSA-N 286.375 3.754 30 20 CHED C=C(CNC(=O)C[C@]1(C)CC1(Cl)Cl)c1ccccc1 832024776 GHCIAENUXVMKBA-CQSZACIVSA-N 298.213 3.790 30 20 CHED C=C(C)CN(C)C(=O)c1oc2c(F)cccc2c1C 679206045 RFFCKMMEARYXCA-UHFFFAOYSA-N 261.296 3.528 30 20 CHED CCC(CC)Oc1ccc(C(=O)OC2(C#N)CCC2)cc1 835211382 FJEKXVXZOWOALC-UHFFFAOYSA-N 287.359 3.857 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCCC(C)(C)C 581047923 GJCQEGOBQVOXGN-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C[C@H](ON=Cc1cccs1)c1cccc(C#N)c1 588574729 BBINQSRAIQGIQX-NSHDSACASA-N 256.330 3.731 30 20 CHED CCCCCCCCC(=O)OCc1cc(C)no1 919222321 XOJLDJXVFJINSJ-UHFFFAOYSA-N 253.342 3.777 30 20 CHED Cc1cc(C)cc(NN=Cc2nc(C)n3ccccc23)c1 914600253 UFAJNHAASAIPHO-UHFFFAOYSA-N 278.359 3.706 30 20 CHED CC(C)[C@H](C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 733679609 CGZUWFNFRIBKNS-JSGCOSHPSA-N 266.344 3.703 30 20 CHED C/C(=C/C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 917621513 UYELVFSOOZZKSE-YPKPFQOOSA-N 276.339 3.795 30 20 CHED Cc1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)cc1 730148826 MRFFUVRUOFVZIF-VOTSOKGWSA-N 272.325 3.651 30 20 CHED CCOc1ccc(C=NNc2ccc(F)cc2)cc1 916268272 VGZBOTLFYWMPRZ-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C=CC(C)(C)CN[C@H](c1ccccc1)C1CCOCC1 834884512 ZVFTVNPFPAWQET-QGZVFWFLSA-N 273.420 3.956 30 20 CHED COc1ccc(C=NNc2cc(F)c(F)c(F)c2)cc1 747641712 DVVXDCLQKNSUEK-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1nc(C#N)c(Cl)s1 596136541 BKXARHAYEZASPJ-YWVKMMECSA-N 281.812 3.826 30 20 CHED N#C[C@H](c1ccccc1)N1CCC(c2ccncc2)CC1 595457839 CEUFEZHCUAROTO-GOSISDBHSA-N 277.371 3.526 30 20 CHED Cc1cc(C)c2cc(C(=O)OCCCCC#N)sc2n1 914623069 WMBASJYSQWNCMV-UHFFFAOYSA-N 288.372 3.764 30 20 CHED N#CCc1ccc(CSCc2cc3n(n2)CCCC3)cc1 593193469 DGWOWNCERVLGOG-UHFFFAOYSA-N 297.427 3.719 30 20 CHED CCC(C#N)(CC)C(=O)NCCCc1cccc(Cl)c1 599219834 OLXGXXMGWUAACK-UHFFFAOYSA-N 292.810 3.719 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCCC[C@H]1C 594043759 ONCWLBHNTJXVOK-CLCXKQKWSA-N 298.430 3.822 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@H](Oc2cccc(F)c2)C1 595427205 SMGREKGVERQDLH-ROUUACIJSA-N 296.345 3.544 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H](c1ccccc1)C1CC1 599969566 XVDGHPIJUZGIDO-INIZCTEOSA-N 284.403 3.626 30 20 CHED C#C[C@H](OC(=O)CSC1CC1)c1ccc(Cl)cc1F 842354309 XJMOMKANSPTHON-ZDUSSCGKSA-N 298.766 3.592 30 20 CHED CN(C)c1ccc(C=NNc2ccc3ccccc3n2)s1 916286640 MKWBNFOLBQYRSG-UHFFFAOYSA-N 296.399 3.808 30 20 CHED C=CCCSCCNC(=O)NC(C)(C)c1ccccc1 596230730 YMDRJUVFEYKQJU-UHFFFAOYSA-N 292.448 3.530 30 20 CHED C/C(=C/c1cccc(C(C)C)c1)c1nc(=O)c(C#N)c(C)[nH]1 596012228 RQFJEHHTQSMHOS-WQLSENKSSA-N 293.370 3.634 30 20 CHED CCN(C(=O)CC1(C#N)CCCCC1)c1ccccc1 596778573 YUXREORVJCJAJY-UHFFFAOYSA-N 270.376 3.904 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2c(C)cccc2F)c1 743041832 DNQJXCUGJBXMGO-GRSHGNNSSA-N 287.334 3.858 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 592612692 FFCYNXXBYZEDHG-OEUWWYETSA-N 276.424 3.647 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc(F)cc1 745611756 HCZGALFYKJCTCL-UHFFFAOYSA-N 286.310 3.645 30 20 CHED C=CC[C@@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccncc1 745827544 LLHLFLOUAWJCRE-SUMWQHHRSA-N 299.418 3.671 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Oc1cccc(OCC#N)c1 841344520 XTFZRFRQAICGHO-XJKSGUPXSA-N 287.359 3.711 30 20 CHED CC[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccc(C)cc1 596099122 RPSLLSNTSVANIX-NVXWUHKLSA-N 299.418 3.781 30 20 CHED Cc1ccccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 748680006 NAIVWDCTTRVAFA-CYBMUJFWSA-N 265.312 3.785 30 20 CHED C#CCN(CC)C(=O)c1cc2c(Cl)cccc2s1 919876366 FWGMCHTXQCRMDR-UHFFFAOYSA-N 277.776 3.650 30 20 CHED Cc1cc(SCc2c(C)nn(C)c2Cl)ccc1C#N 842633113 ATXJNQGTYJOJAK-UHFFFAOYSA-N 291.807 3.854 30 20 CHED C=CCCOCc1nc(Cc2cccc(Cl)c2F)no1 680682505 SXYUDDKDROVCIG-UHFFFAOYSA-N 296.729 3.546 30 20 CHED Cc1ncc(C=NNc2cccc(Cl)c2)s1 917531222 BSLVDLBYULEORA-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OC/C(Cl)=C/Cl 848798512 RQBGHACSYSKTKA-BNDQCTAISA-N 298.169 3.599 30 20 CHED C=C(Cl)CN1CCCC[C@H]1c1nc2ccccc2n1C 749297686 LHBAVAPSCFYOHU-HNNXBMFYSA-N 289.810 3.853 30 20 CHED CCc1c(C(C)=NNc2ncccn2)oc2ccccc12 912974076 JMZNHRFIAQCBQO-UHFFFAOYSA-N 280.331 3.621 30 20 CHED CON=Cc1ccc(C(=O)N(C)c2ccc(C)c(C)c2)cc1 918657983 JTHZAJXSGREOJS-UHFFFAOYSA-N 296.370 3.560 30 20 CHED CCCCCC[C@H](C)NN=Cc1c(C)nn(C)c1Cl 743448717 BONSFSNUYDQBAR-NSHDSACASA-N 284.835 3.664 30 20 CHED C#C[C@H](OC(=O)c1cnc(C2CC2)s1)c1ccccc1 842365397 NCVXZYXSKQPPCM-ZDUSSCGKSA-N 283.352 3.552 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1C[C@H](C)C(F)(F)[C@H](C)C1 599057506 FNWFNCMAXZVDPX-XQQFMLRXSA-N 278.346 3.842 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(CC=C)C(C)C 840461066 AXLXFOKPHZWRQI-QGZVFWFLSA-N 286.419 3.780 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](CC(C)C)c1ccccc1 844283818 HRVZEWNECQVVGV-DZGCQCFKSA-N 276.380 3.579 30 20 CHED COc1cc(C)cc2c1OC/C(=C/c1ccccc1F)C2=O 920389199 JFJJRNAFYVASEC-LCYFTJDESA-N 298.313 3.801 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(O)c(Cl)c2)c1 759205326 FAEXWUMKCKSTHC-UHFFFAOYSA-N 294.713 3.639 30 20 CHED C[C@@H](C#N)N(Cc1cc2ccccc2nc1Cl)C1CC1 852479128 CYVXHTKYJWKRLP-NSHDSACASA-N 285.778 3.765 30 20 CHED CC(C)C[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 759389773 CYPGANPDCCMPFC-KRWDZBQOSA-N 286.419 3.847 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc2ccccc2o1 851214126 NSZIGFILIJUYAK-NSHDSACASA-N 271.316 3.918 30 20 CHED CN(Cn1ccc(-c2ccsc2)n1)c1ccccc1C#N 754770006 SXIJITBSKDBYKE-UHFFFAOYSA-N 294.383 3.577 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC(=C3CCC3)CC2)nc1 853290628 COULPQXOFCIPJR-UHFFFAOYSA-N 286.335 3.812 30 20 CHED C[C@H](CC(C)(C)C#N)NC1(c2ccccc2F)CC1 925883677 MACAREBLQBHRAE-GFCCVEGCSA-N 260.356 3.733 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(F)cc2O)cc(C)c1O 757476287 PBRHKWWXCAFDEP-UTCJRWHESA-N 286.302 3.750 30 20 CHED C=CCCONC(=O)C[C@H](C)Cc1ccc(Cl)cc1 856034442 NDPXPXCSGLYVMU-GFCCVEGCSA-N 281.783 3.533 30 20 CHED CC(C)CC(=NO[C@H]1CCCCO1)c1ccccc1 755816815 WLEKLMNKVKFAQE-INIZCTEOSA-N 261.365 3.980 30 20 CHED C=CCN(CC(=O)c1cc(C)n(CCC)c1C)C(C)C 754638660 CMDZGINNJAEWSA-UHFFFAOYSA-N 276.424 3.594 30 20 CHED Cc1ccc(F)c(C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851209029 AZWBDXMRTZXJJJ-NSHDSACASA-N 263.312 3.619 30 20 CHED COc1ccc(NN=C/C=C\c2ccccc2)cc1 750924893 NIGIMZJVKWWVCE-PPZHCBMDSA-N 252.317 3.806 30 20 CHED C=C(CN[C@@H](C)c1ccc(F)cc1O)c1ccccc1 756484357 VCBZHCPTDRWJDU-ZDUSSCGKSA-N 271.335 3.895 30 20 CHED C#CC[C@@H](OC(=O)c1cnc(-c2ccccc2)s1)C1CC1 750773871 BNXKAFUMKGRAIO-CQSZACIVSA-N 297.379 3.769 30 20 CHED CC(=NOCCC1CC1)c1ccc(C(F)F)nc1 853351283 AFBNYTIIIQUEKV-UHFFFAOYSA-N 254.280 3.560 30 20 CHED CC(C)(C=NNc1ccc(C(F)(F)F)cn1)CCC#N 755487442 FMUSTYYEVYPWMZ-UHFFFAOYSA-N 284.285 3.828 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(-c2ccc(CC)cc2)o1 767237660 RMKOFSIXCHPNSK-CYBMUJFWSA-N 281.355 3.603 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Oc1ccc(C#N)cc1F 769739462 PEZQYFGTXXLBCV-WCQYABFASA-N 275.323 3.819 30 20 CHED Cc1ccoc1C=NNc1c(F)cccc1Cl 769827082 NHKXKIXMJQCVLS-UHFFFAOYSA-N 252.676 3.827 30 20 CHED CC(=NNCc1ccccc1Cl)c1cccs1 864029001 SNPQPEOIDDMXRF-UHFFFAOYSA-N 264.781 3.915 30 20 CHED CCCCCCCC(=O)OCC(=O)Nc1ccccc1C 864351077 OUJOHTBWRUPXTD-UHFFFAOYSA-N 291.391 3.837 30 20 CHED C#CC[C@H](CCOC)NC(=O)c1ccc(C2CCCC2)cc1 863782645 YFOZDQZSJAVESJ-GOSISDBHSA-N 299.414 3.502 30 20 CHED Cc1ccc(C)c(/C=C2\CCc3scnc3C2=O)c1 863196537 NAXRPYZOSIUZPI-XYOKQWHBSA-N 269.369 3.972 30 20 CHED CC(C)(C)c1ccc(C(=O)OCCCC#N)s1 764117394 NJVHIBSWHICLQI-UHFFFAOYSA-N 251.351 3.506 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(C#N)cc1Cl 860197665 DTLUDSQSJGJONU-UHFFFAOYSA-N 290.750 3.585 30 20 CHED C#CCN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 763795014 KRYDOBTYIHFOBZ-OALUTQOASA-N 289.378 3.568 30 20 CHED C#C[C@H](OC(=O)c1cnn(C(C)C)c1C)c1ccc(C)cc1 860963898 GBBPPEOTVDQFFP-KRWDZBQOSA-N 296.370 3.612 30 20 CHED Cc1cn2c(C=NNc3ccc(F)cc3)c(C)nc2s1 767032305 FPJPOLIOKQQTLG-UHFFFAOYSA-N 288.351 3.598 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccccc1C)C(C)C 876059491 LGVZZVLCSFKKPI-CQSZACIVSA-N 260.381 3.662 30 20 CHED C#C[C@@H](OC(=O)[C@@H](C)Oc1cccc2ccccc12)C1CC1 774154246 DGZCDOBTMCSGOA-CXAGYDPISA-N 294.350 3.562 30 20 CHED COC(=O)c1ccccc1NN=CCCc1ccccc1 776190061 WYQYLZMLVLAKBW-UHFFFAOYSA-N 282.343 3.504 30 20 CHED CCSc1ccccc1C(C)=NOC1CCOCC1 774442771 VGFOOOGNAUNLPS-UHFFFAOYSA-N 279.405 3.718 30 20 CHED C#CCCCCNCc1ccc(Oc2ccccc2)o1 779976474 HYTSUYZIWITBKD-UHFFFAOYSA-N 269.344 3.965 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 879413472 OWPWNNIVDNZHES-GJZGRUSLSA-N 281.440 3.689 30 20 CHED C=C(CC)COC(=O)c1cnc(Cc2ccccc2)s1 773533700 YQSMMUUSTAXQCC-UHFFFAOYSA-N 287.384 3.857 30 20 CHED CCCCNN=Cc1cc(F)cc(C(F)(F)F)c1 772840399 KWOJJQUKHNQROL-UHFFFAOYSA-N 262.250 3.568 30 20 CHED C=CCN(CCc1ccccc1)C(=S)NC(C)(C)CC 774163686 CBARZIZRXJFVDQ-UHFFFAOYSA-N 290.476 3.780 30 20 CHED C#CC[C@H](N[C@H](C)c1cncc(F)c1)c1ccccc1 773104591 FDISYWRYOCDHEU-DYVFJYSZSA-N 268.335 3.636 30 20 CHED C[C@@H](OC(=O)Cc1ccccc1CC#N)c1ccccc1F 777167958 VWACBZFPLBAVGW-CYBMUJFWSA-N 297.329 3.739 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1)c1ccccc1F 778534537 TWIIJFRMVRVVAX-UHFFFAOYSA-N 286.306 3.750 30 20 CHED CCn1nc(/C=C/C(=O)c2sccc2O)c2ccccc21 773144064 VSKAUEQHIIGLOE-BQYQJAHWSA-N 298.367 3.719 30 20 CHED Cc1cc(C)c(NN=Cc2ccc(F)nc2)c(C)c1 777438373 WHPFKAKAHUCHMH-UHFFFAOYSA-N 257.312 3.592 30 20 CHED CCCCN(CCCC)C(=O)Cc1ccccc1CC#N 776797792 YYFMISNFXVANHV-UHFFFAOYSA-N 286.419 3.724 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C[C@H]2C=CCCC2)cc1 778609412 PCTCHJUBSPUJAV-INIZCTEOSA-N 282.387 3.988 30 20 CHED Cc1ccc(NN=C(CC2CCC2)c2ccccc2)nn1 776185960 ILJIMTVPITZFHW-UHFFFAOYSA-N 280.375 3.791 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1cccc(C(F)(F)F)c1 776361871 WZAXXRDHFIPWEL-UHFFFAOYSA-N 299.292 3.731 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1cscn1 777448494 PHBTVDSWROHXOY-OAHLLOKOSA-N 287.432 3.724 30 20 CHED FC(F)(F)CCON=Cc1cscc1Cl 777462881 PZLBJXZCJIQUHO-UHFFFAOYSA-N 257.664 3.704 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)O[C@H](C#N)C1CCCCC1 776392968 XHUXXQUJIUVNJU-GDBMZVCRSA-N 295.423 3.843 30 20 CHED CC#CCCOC(=O)c1c[nH]cc1-c1ccc(C)s1 778435132 XIRRHZCYCHNOHQ-UHFFFAOYSA-N 273.357 3.622 30 20 CHED CC1(C)C(=NOC[C@H]2CCOC2)C[C@@H]1c1ccccc1 788030066 KFWLUAIAQRQSNF-DZGCQCFKSA-N 273.376 3.609 30 20 CHED CCCCCCCN[C@@H](CO)c1c(F)cccc1F 782062808 VTAWZFMZDSVZSY-AWEZNQCLSA-N 271.351 3.558 30 20 CHED Clc1ccc(Cl)c(OCCON=C2CCC2)c1 782329392 NMUPIMCAWRALAE-UHFFFAOYSA-N 274.147 3.929 30 20 CHED CC(C)c1ccc([C@H](C)OC(=O)c2c[nH]c(C#N)c2)cc1 783454112 OCBLRAKZZFBKPC-LBPRGKRZSA-N 282.343 3.928 30 20 CHED Cc1cc(C)cc(NC(=S)N2CCC[C@](C)(C#N)C2)c1 783772165 CEXLXZPRMIKTCU-MRXNPFEDSA-N 287.432 3.626 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1cccc(C#N)c1F 785747726 CSXOJFWCBQOSPF-NSHDSACASA-N 295.379 3.662 30 20 CHED Clc1ccc([C@H]2CCCC2=NN[C@H]2CCCOC2)cc1 780259591 AWKBFIDTIMFNBT-LSDHHAIUSA-N 292.810 3.732 30 20 CHED C#CCC1(C(=O)Oc2ccc(C(C)=O)cc2)CCCCC1 788424595 YHDQUGHWEKZCDW-UHFFFAOYSA-N 284.355 3.768 30 20 CHED C#Cc1ccc(CNc2cccc(NC(=O)C3CC3)c2)cc1 788842348 FGAFCSUWABNSHF-UHFFFAOYSA-N 290.366 3.629 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCCC(C)(C)C)cc1 783555886 BYMTVHCBBWXYAG-UHFFFAOYSA-N 276.380 3.822 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2C2CC2)n(C)n1 789156449 OLZSKLKJRAFZJJ-KTKRTIGZSA-N 266.344 3.502 30 20 CHED CCc1cccc(CON=Cc2cccc(F)c2)c1 786738868 OWKDITOOJXZYLI-UHFFFAOYSA-N 257.308 3.939 30 20 CHED C=CCCO[C@@H](C)C(=O)OC/C=C/c1ccc(Cl)cc1 787667961 JMQLFVZTVZXFJZ-GFUIURDCSA-N 294.778 3.878 30 20 CHED C=C[C@H](CC)CC(=O)O[C@@H]1C[C@@H](C)C(=O)C(C)(C)C1 1123045315 AOPWDCVKQAGRNJ-JHJVBQTASA-N 266.381 3.526 30 20 CHED CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNC1CCCCC1 786043271 MGSWQDLSTFUNAC-LBPRGKRZSA-N 297.443 3.588 30 20 CHED C[C@@H](NC(=O)CCCc1ccsc1)c1ccc(C#N)cc1 783037668 FLKOPEZCMPUZIO-CYBMUJFWSA-N 298.411 3.820 30 20 CHED C=C1CC(c2noc(Cn3ccc4ccc(F)cc43)n2)C1 896874943 XOWKWGRKJPRNRC-UHFFFAOYSA-N 283.306 3.645 30 20 CHED CC(C)c1ncc(/C=C\C(=O)c2cncs2)s1 787171510 AIEZEJKGNXIBRJ-ARJAWSKDSA-N 264.375 3.619 30 20 CHED C#Cc1ccc(CNc2cccc(-c3nccn3C)c2)cc1 787771598 BRBAAVIKSNRTHE-UHFFFAOYSA-N 287.366 3.681 30 20 CHED C#Cc1ccc(CN2CCC[C@H]2c2ccc(COC)o2)cc1 798187168 UVQGQXDTCJFGHA-SFHVURJKSA-N 295.382 3.744 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc(F)cc1C 795008610 MQIFLPMRWJFALP-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3[C@@H](C)C2)CCC1 790131662 DVVXERAJARLNCC-AWEZNQCLSA-N 269.388 3.879 30 20 CHED C[C@@H]1CCc2ccccc2N1Cc1cccc(C#N)c1 16339169 WHUTUNQISDJAQV-CQSZACIVSA-N 262.356 3.900 30 20 CHED CC(C)[C@@H](C=NO[C@H]1CCCCO1)c1ccccc1 794524930 WTWMQMWBLRPYHZ-CVEARBPZSA-N 261.365 3.955 30 20 CHED CC(C)(CNC(=O)Nc1sccc1C#N)C1CCC1 1207294195 VYSCUFJXQBSTQG-UHFFFAOYSA-N 277.393 3.568 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1c1ccccc1C 791059595 SBOSOOKBTOAJLO-NVXWUHKLSA-N 284.403 3.643 30 20 CHED C[C@H](NC(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1202507392 RDGNXGSCUDUAAM-NSHDSACASA-N 283.306 3.580 30 20 CHED N#Cc1ccc(C(=O)OCc2cc(Cl)cc(Cl)c2)o1 796153906 JLWFTTYJHIUFBX-UHFFFAOYSA-N 296.109 3.815 30 20 CHED COc1ccccc1CON=C(C)Cc1cccc(F)c1 799116743 DIIPCCBALVFIDP-UHFFFAOYSA-N 287.334 3.970 30 20 CHED C=CC[C@H](C)NCc1cnn(Cc2ccccc2)c1Cl 790541645 AQWSSDQKZNPQBM-ZDUSSCGKSA-N 289.810 3.639 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1 664334154 VVLRUCNJPXENIH-AWEZNQCLSA-N 258.365 3.815 30 20 CHED CC(C)c1occc1C(=O)OCc1ccc(OCC#N)cc1 796390157 GGHPFWWAWPKQHM-UHFFFAOYSA-N 299.326 3.662 30 20 CHED Cc1cc(C=NN[C@H](C)C(C)(C)C)c(C)n1C1CC1 793117177 WVZNRKNQSJSBBU-CYBMUJFWSA-N 261.413 3.798 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC(C)(C)C1CCCCC1 560616886 IWEINXVHZQQWAM-INIZCTEOSA-N 264.413 3.649 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NN=C1CCC13CCOCC3)C2 799886976 IEKVUXKQVKJVMI-QRTARXTBSA-N 290.451 3.737 30 20 CHED C[C@H](C(=O)OCCCC#N)c1ccc(C(F)(F)F)cc1 798785830 XARQZNDEEFAHQO-JTQLQIEISA-N 285.265 3.656 30 20 CHED CCN(CCC#N)Cc1ccc(N(C)C)cc1C(F)(F)F 792776215 FDBDYCQGKPTUHS-UHFFFAOYSA-N 299.340 3.507 30 20 CHED C[C@@H](NC(=O)NCC1(C#N)CC1)c1csc2ccccc12 797450858 XARXEFOKLVXIFT-LLVKDONJSA-N 299.399 3.565 30 20 CHED C[C@H]1C[C@H]1C=NNCc1cccc(Cl)c1Cl 790180177 BHIHDSMEEAPBOI-WPRPVWTQSA-N 257.164 3.725 30 20 CHED CSCCON=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 794577105 NPQSFHYILWKNJX-LLVKDONJSA-N 296.392 3.529 30 20 CHED C=Cc1ccccc1NC(=O)N(C)Cc1ccc(C#N)cc1 1219813507 XZQJVFXEMQYKTQ-UHFFFAOYSA-N 291.354 3.865 30 20 CHED CC[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 83640439 INNWQSFWWFWWOD-WCQYABFASA-N 273.336 3.847 30 20 CHED CSCC1CCC(N[C@H](C)CC(C)(C)C#N)CC1 695841169 GDOFWSWDTYATHK-IYXRBSQSSA-N 268.470 3.826 30 20 CHED CN(c1nc(Cl)c(C#N)s1)[C@@H]1CCc2ccccc21 787891396 CPJQRCDSXIMBAR-LLVKDONJSA-N 289.791 3.792 30 20 CHED Cc1cc(CSc2ccc(Cl)cc2C#N)no1 1307309121 IYVZQYYILXTZLZ-UHFFFAOYSA-N 264.737 3.800 30 20 CHED CCCCNc1nnc(SCCCCC#N)s1 1317696966 FITNPTLBLPORAI-UHFFFAOYSA-N 270.427 3.536 30 20 CHED C[C@H](NN=Cc1nc(-c2ccccc2)c[nH]1)c1ccccc1 1322666533 TZDYITCJVJAOTK-AWEZNQCLSA-N 290.370 3.761 30 20 CHED N#CCC1(CSCc2cn3cc(Cl)ccc3n2)CC1 1328575396 YFLPZFUHVFIARN-UHFFFAOYSA-N 291.807 3.915 30 20 CHED N#CCCN(C/C=C/c1cccc(F)c1)Cc1ccccn1 1180030145 IYBUMIICNNLBDO-QPJJXVBHSA-N 295.361 3.650 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1ncc(C#N)cc1Br 1185497353 IGDKAJHNRCTFDK-ZJUUUORDSA-N 296.212 3.952 30 20 CHED CC(C)(C)ON=Cc1ccc(OC(F)F)c(F)c1 1336204618 HSNDAMUSTFUFKK-UHFFFAOYSA-N 261.243 3.576 30 20 CHED C=C[C@](C)(CC)c1nnc(-c2cc(OC)cc(OC)c2)o1 1330079926 XROUWOGAAISVGG-MRXNPFEDSA-N 288.347 3.608 30 20 CHED CCCc1ccc(C[S@@](=O)Cc2ccc(C#N)cc2)cc1 1330774710 RBIMJWGBJGPGER-OAQYLSRUSA-N 297.423 3.960 30 20 CHED C(=NNCC1CCOCC1)c1ccc(C2CCCC2)cc1 1347422602 OHPZDYLTPPZASA-UHFFFAOYSA-N 286.419 3.694 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N(C)c1cccc(C#N)c1 1264782242 GMCGJAKWTHAYPQ-CQSZACIVSA-N 278.355 3.633 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1C 1264951781 XHRMIVRVIPRNNS-RDJZCZTQSA-N 284.403 3.955 30 20 CHED CCc1ccccc1C(=O)O[C@H](CC#N)c1ccco1 1344935274 DDNBIQYNYBLTPX-OAHLLOKOSA-N 269.300 3.654 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 1349906922 NJFGETSAQGXPJI-KGLIPLIRSA-N 297.402 3.812 30 20 CHED COc1ccc2oc(C)c(C(=O)O[C@@H]3CC[C@H](C#N)C3)c2c1 1357610913 PMRIBQSUORUXDG-WCQYABFASA-N 299.326 3.599 30 20 CHED C[C@H](CCc1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1354216807 HZCAOZPDJIAJAP-CYBMUJFWSA-N 296.345 3.905 30 20 CHED C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N(CC)CC 1515333419 PILWUGHYIQVGDT-LBPRGKRZSA-N 298.381 3.603 30 20 CHED CCC(CC)CN(CCC#N)CCN1C[C@@H](C)C[C@H](C)C1 1459611975 VALDHAQFDGJODW-IRXDYDNUSA-N 293.499 3.616 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCC2CCCCC2)C1 1528079667 CVXNXNBQEVGICY-LSDHHAIUSA-N 263.381 3.972 30 20 CHED N#Cc1cccc(Cl)c1NCc1ccc(C(=O)O)cc1 1601122492 OKYZUEJIWCIAEV-UHFFFAOYSA-N 286.718 3.522 30 20 CHED Cc1ccc(NC(=O)Nc2sccc2C#N)cc1 2657910 JYBBXRYGZNDBOA-UHFFFAOYSA-N 257.318 3.572 30 20 CHED N#Cc1ccccc1S[C@H](C(=O)O)c1ccc(F)cc1 1608221759 PWZPHNDSNUKRGY-AWEZNQCLSA-N 287.315 3.615 30 20 CHED Cc1c([C@@H](C)NC(=O)[C@H](C)C#N)sc2ccccc12 1611155809 PIXNBLJWGMUIIQ-MWLCHTKSSA-N 272.373 3.547 30 20 CHED CC(C)N(CCOc1cccc(C#N)c1)C1CCCCC1 1616043459 XJDPVVPDZLQEDV-UHFFFAOYSA-N 286.419 3.980 30 20 CHED CC(C)(C)[C@H]1CCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1620921989 NCYRYZDMOIIBAI-IAGOWNOFSA-N 298.430 3.796 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C#N)C1 1644351076 YIBZWPCEMAECGQ-IRXDYDNUSA-N 290.451 3.991 30 20 CHED C[C@H](COCC1CCCCC1)NCc1ccc(C#N)s1 1644599924 HXFUHCSVMLNIHV-CYBMUJFWSA-N 292.448 3.695 30 20 CHED COc1cncc(CSc2ccc(Cl)cc2C#N)c1 1656332136 RESMCKXAEWVQNI-UHFFFAOYSA-N 290.775 3.908 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@H]1C1CCC1 1658800146 ZRGANJLICRGJPO-LSDHHAIUSA-N 270.376 3.948 30 20 CHED COc1ccc(CNC[C@@H]2CCC[C@@H](C)[C@H]2C)cc1C#N 1651016647 RNQVGPMMNRBCJN-FMKPAKJESA-N 286.419 3.729 30 20 CHED C=CC[C@@H](C(=O)Oc1ccc(C(=O)O)cc1)c1ccccc1 1588731226 FPYHCWUMOSAAKU-MRXNPFEDSA-N 296.322 3.650 30 20 CHED C=C(CNC(=O)NCc1ccccc1CC)c1ccccc1 1679218273 BITKSVOGGXXKRG-UHFFFAOYSA-N 294.398 3.762 30 20 CHED Cc1ccc(C=NNc2ccccc2C(=O)O)c(Cl)c1 1776030897 BRDDPDGYWHGZDH-UHFFFAOYSA-N 288.734 3.793 30 20 CHED Cc1cc2c(s1)C/C(=C\c1ccc(C)c(C(=O)O)c1)C2=O 1777428133 VPGBLVHEQRPKTH-WUXMJOGZSA-N 298.363 3.886 30 20 CHED O=C(O)c1cccc(NN=C2CCCc3ccccc3C2)c1 1776037218 LAWCRLHPICCHBU-UHFFFAOYSA-N 294.354 3.732 30 20 CHED CC(C)Cc1ccc(CCC(=O)N(C)C2(C#N)CCC2)cc1 160932759 WVEKTEZLZKMNLK-UHFFFAOYSA-N 298.430 3.722 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCC2(C)COC2)cc1 164460682 HDIMNIQCIFHEMS-CYBMUJFWSA-N 295.810 3.505 30 20 CHED N#CCC(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 153527506 MGYVDOYSERUEHU-SFHVURJKSA-N 290.322 3.552 30 20 CHED N#CCC[C@@H](C#N)COc1ccc(Oc2ccccn2)cc1 153753952 ISXSOGDTYPVPSA-AWEZNQCLSA-N 293.326 3.696 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C)c(Br)cc1C 157126814 HJFAALBUIYBOIG-LLVKDONJSA-N 296.208 3.760 30 20 CHED C#Cc1cccc(NC(=O)Nc2cnn(CCCC)c2C)c1 156813038 OWMNTWFEXLHOPN-UHFFFAOYSA-N 296.374 3.617 30 20 CHED N#Cc1ccsc1NC(=O)c1cc2c(s1)CCCC2 7796742 LAZFVPJLAQUHGF-UHFFFAOYSA-N 288.397 3.812 30 20 CHED C=C(CN[C@H]1CCc2ccccc2C1)c1ccccc1 126657400 FIGFTARWZHBDBR-IBGZPJMESA-N 263.384 3.847 30 20 CHED COc1ccccc1N(C)CCCCC(C)(C)C#N 234912089 GJCQUHATTPKERW-UHFFFAOYSA-N 260.381 3.851 30 20 CHED C#CCCCNc1cc(Br)c(F)cc1C 235858378 FGROTDADWINYRE-UHFFFAOYSA-N 270.145 3.722 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 250509712 OKWFWZKXAKNRJT-HRCADAONSA-N 276.424 3.744 30 20 CHED CCCCC1CCC(C(=O)N[C@](C)(C#N)CC)CC1 40357585 PIJJIYJEUSFMIH-XUJLQICISA-N 264.413 3.791 30 20 CHED C=CCCCCCCNC(=O)c1ccc2c(c1)CCN2 312658666 VJLAVFLOAZVIEV-UHFFFAOYSA-N 272.392 3.521 30 20 CHED CC(C)[C@H]1CCCN(c2ncc(C#N)cc2Cl)CC1 522285148 YRJIRAMGXFBNPY-ZDUSSCGKSA-N 277.799 3.869 30 20 CHED N#Cc1cccc(NCc2nc(C3CC3)cs2)c1 342432229 HQJUQYBPKPOVPJ-UHFFFAOYSA-N 255.346 3.504 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2ccc(F)cc2C#N)CCO1 487143636 WTPJYPJHFZPBPI-DZGCQCFKSA-N 276.355 3.703 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C(C)(C)C1 380362534 DBCBDZFLOSRNTO-LLVKDONJSA-N 262.784 3.832 30 20 CHED C#CCN(Cc1ccccc1)Cc1nc2c(s1)CCCC2 809718914 ZWWDMFWPEBOLMF-UHFFFAOYSA-N 296.439 3.657 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2ccc(C(=O)O)s2)c1 7333333 DNHMHGYBPRVOGA-AATRIKPKSA-N 286.352 3.959 30 20 CHED Cc1ccc(C(=O)CCC(=O)Nc2ccc(C#N)cc2)s1 15598597 CFPJSEHLRFLDJV-UHFFFAOYSA-N 298.367 3.530 30 20 CHED C=CCOc1ccccc1CNC1CCC(C)CC1 34991909 GRRXZUWIUAHPGJ-UHFFFAOYSA-N 259.393 3.920 30 20 CHED C[C@H](N[C@@H]1CCc2ccccc2C1)c1ccc(C#N)cc1 35256437 FXXYXZXIZABYDN-IFXJQAMLSA-N 276.383 3.766 30 20 CHED CCOc1cc(NCc2cccc(C#N)c2)ccc1OC 37091756 NJUIJTUPVPXLEY-UHFFFAOYSA-N 282.343 3.578 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1F 44385351 GLKYHADEWVAOMG-UHFFFAOYSA-N 260.312 3.547 30 20 CHED C=C(Cl)CSc1nccn1-c1cccc(F)c1 48397695 RXEURXGTDFUIBH-UHFFFAOYSA-N 268.744 3.856 30 20 CHED N#CCCCCSc1ccc(C(F)(F)F)cn1 49579598 OOOKWZYRCYNRFE-UHFFFAOYSA-N 260.284 3.886 30 20 CHED CCCOc1cc(C)ccc1NC(=O)c1cccc(C#N)c1 55619298 CYBWIGTZZOBBGY-UHFFFAOYSA-N 294.354 3.908 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(N(C)CCC#N)cc2)C1 73650783 KSDMJKLHIBZJOX-WBVHZDCISA-N 285.435 3.705 30 20 CHED C[C@H]1CCC[C@@H](NCc2ccc(N(C)CCC#N)cc2)C1 73650789 KSDMJKLHIBZJOX-DOTOQJQBSA-N 285.435 3.705 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 77687509 PVOOJFSSVXXJGG-GXFFZTMASA-N 282.368 3.881 30 20 CHED CCCCc1noc([C@H](C)Sc2cc(C#N)ccn2)n1 77906025 CEGJIZZHBXZXNM-JTQLQIEISA-N 288.376 3.532 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC[C@@H](O)C2)c(C(F)(F)F)c1 78304261 NDVDEPVGRGQCDF-VXGBXAGGSA-N 298.308 3.540 30 20 CHED Cc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1[N+](=O)[O-] 79720657 HNLGEXVMIZINRW-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED Cc1cccc(C(C)C)c1NC(=O)CSCCC#N 82692962 SOLCOSBIDKKWHG-UHFFFAOYSA-N 276.405 3.704 30 20 CHED C=CCNC(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 83019084 TVUYPCIPZRGROS-NEPJUHHUSA-N 280.799 3.659 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)[C@H](C)c1ccccc1 84140007 JXRFHKQJLNKYAE-RYUDHWBXSA-N 284.384 3.542 30 20 CHED CN(CCC(C)(C)C#N)Cc1cccc(Cl)c1 87595225 VUXKJQXBYPJYOJ-UHFFFAOYSA-N 250.773 3.712 30 20 CHED CO[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 88191297 RGXOFZGMNNRZRA-ZIAGYGMSSA-N 298.308 3.947 30 20 CHED CC(C)c1cc(NCCCCC#N)nc(C(C)C)n1 90090472 JKQYIACOBBVKNG-UHFFFAOYSA-N 260.385 3.829 30 20 CHED C#CCCCCN[C@H](C)c1cccc(OC(F)F)c1 90398570 QNAUDHZMRLGSLG-GFCCVEGCSA-N 267.319 3.742 30 20 CHED CC1(c2ccccc2)CCN(c2cnccc2C#N)CC1 91672956 OHVDKNVFNCSNTK-UHFFFAOYSA-N 277.371 3.511 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccccc2OCC)c1 103028689 IKHALRMQRVBCIK-UHFFFAOYSA-N 293.366 3.733 30 20 CHED Cc1cc2ncn(Cc3ccc(F)cc3C#N)c2cc1C 103135700 FXCAUFSRDUGATF-UHFFFAOYSA-N 279.318 3.712 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccccc2C)c1 113535460 DXMDIQSGUPLFGK-UHFFFAOYSA-N 250.301 3.620 30 20 CHED CC(C)(C)[C@H]1CCCN(C[C@H](C#N)CCC#N)CC1 116407436 OGDPERBQGSWJTK-GJZGRUSLSA-N 261.413 3.578 30 20 CHED C=CC[C@@H](C)NCc1ccc(OC)c(OCC(=C)C)c1 116927547 DRCXWHHTRZWMAN-CQSZACIVSA-N 275.392 3.704 30 20 CHED Cc1cccc(-c2ccc(CNC(=O)C(C)(C)C#N)cc2)c1 117727319 CGXQGENLWBAKHU-UHFFFAOYSA-N 292.382 3.828 30 20 CHED Cc1cccc(-c2[nH]ncc2/C=C/C(=O)c2ccco2)c1 118968953 LXXCIYPTXQLFEW-BQYQJAHWSA-N 278.311 3.874 30 20 CHED Cc1cn2c(/C=C/C(=O)c3occc3C)c(C)nc2s1 119020152 XKXHAELARUKXIN-SNAWJCMRSA-N 286.356 3.810 30 20 CHED C#CCN(CCc1csc(C)n1)[C@@H]1CCc2ccccc21 119427465 VCKNYDOVNXEPFL-GOSISDBHSA-N 296.439 3.617 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(F)c(F)c1 120118138 MCEFSWOUFADJLV-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1cc2ccccc2o1 122434040 MRPTZUOVZOZUPV-ABAIWWIYSA-N 284.359 3.591 30 20 CHED CCCOc1ccc(OC(=O)c2sccc2C#N)cc1 127988084 APYOBYZWTLZZTF-UHFFFAOYSA-N 287.340 3.628 30 20 CHED O=C1/C(=C/c2cccnc2Cl)Cc2c(F)cc(F)cc21 131159074 ZJEIQCLCXIYZCL-RUDMXATFSA-N 291.684 3.836 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)COC)cc1 131994050 PNMGTLMNYWEMGV-OLZOCXBDSA-N 283.799 3.503 30 20 CHED C=CCC[C@H](C)Nc1ccc(Br)nc1 134967566 BNPRIMMPILMMBD-VIFPVBQESA-N 255.159 3.611 30 20 CHED N#CCOc1ccc(NC(=O)CC2CCCCCC2)cc1 135799265 HLSSIHBUQMJQRF-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CC#CCNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 136059706 HRJPXKJBJIWWRC-JTQLQIEISA-N 299.201 3.719 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)c1ccccc1Cl 149329089 GKPBOUUDWZDUEC-JTQLQIEISA-N 257.724 3.780 30 20 CHED CSCCCCC(=O)Nc1cc(C#N)cn1C(C)(C)C 150789431 BOGYBOREPQTHMQ-UHFFFAOYSA-N 293.436 3.587 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)c2ccccc21 153157816 NRNUQHBPAXLJHY-CXAGYDPISA-N 297.402 3.570 30 20 CHED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CC#N)c2)C1 153689536 QRHYZZLQUKNRDK-CZUORRHYSA-N 286.375 3.634 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2=CCCC2)cc1 157160140 PCLKECYCZNJKAG-INIZCTEOSA-N 282.387 3.775 30 20 CHED Cc1nc(SCc2ccc(F)c(C#N)c2)oc1C 158442516 IXYCEJWZMJBBIC-UHFFFAOYSA-N 262.309 3.595 30 20 CHED C=C(C)CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 160591045 KBXZLXUVZPIPCA-UHFFFAOYSA-N 294.280 3.545 30 20 CHED C=C(C)CN[C@@H](c1ccccc1)c1ccc(OC)cc1 161033564 UZTUGQLUWOUOJK-SFHVURJKSA-N 267.372 3.950 30 20 CHED CC[C@H](C)NC(=O)[C@H](Sc1ccccc1C#N)C(C)C 173710531 PIZLRHYHBLDBCK-SWLSCSKDSA-N 290.432 3.590 30 20 CHED N#CCCN(CCSc1ccccc1)Cc1ccccn1 174837184 PAZUCBGMLMKIOT-UHFFFAOYSA-N 297.427 3.590 30 20 CHED C=CCCCC(=O)Nc1ccc(OCC)c(F)c1 175383215 AHLFJSVNHTVCJX-UHFFFAOYSA-N 251.301 3.519 30 20 CHED CCOc1cccc(/C=N/[C@@H](C)c2ncc(C)s2)c1O 175894996 ZXYUNVDKCAREDO-UJFYRASASA-N 290.388 3.736 30 20 CHED N#Cc1c[nH]c(C(=O)N2CCCCC[C@H]2c2ccccc2)c1 176108380 CEEZXKPKRBJBHG-KRWDZBQOSA-N 293.370 3.644 30 20 CHED Cc1ccc(-c2cncc(C(=O)OCCCC#N)c2)cc1 177264600 GFKXXICIJMFKAT-UHFFFAOYSA-N 280.327 3.518 30 20 CHED Cc1noc(C)c1/C=C1\COc2ccc(Cl)cc2C1=O 181467656 AIRHLZGOJNRFRA-BJMVGYQFSA-N 289.718 3.604 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1cccc(F)c1F 181958905 MGGLSSVGJBBQIL-NSHDSACASA-N 266.335 3.945 30 20 CHED C[C@@H](C#N)CNCc1cc(C(F)(F)F)ccc1Cl 183832724 JUUWKFSAKVTRDR-QMMMGPOBSA-N 276.689 3.608 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc(OC(C)(C)C)cc1 184888926 BVPHWMFIYKWWOQ-DHZHZOJOSA-N 298.386 3.976 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2CCCOc3c(F)cccc32)C1 185892173 RCRSTSIKEGTWNP-ZENOOKHLSA-N 288.366 3.711 30 20 CHED C=CCCCC(=O)NC1(Cc2cccc(F)c2)CCC1 187565026 LNGMZWIPYFIULW-UHFFFAOYSA-N 275.367 3.763 30 20 CHED C=CC[C@H](C(=O)Nc1ccncc1C)c1ccccc1 187726001 NRKZMVQEWFFXEL-HNNXBMFYSA-N 266.344 3.688 30 20 CHED C=CC[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 189372682 ZNSYTWIWLLUMDR-KRWDZBQOSA-N 281.355 3.994 30 20 CHED C[C@@H]1CCCCN1Cc1cc(C#N)ccc1Br 191773805 OLEMUVDLWDTPFY-LLVKDONJSA-N 293.208 3.695 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cnn(-c3ccccc3F)c2)C1 193103515 KOURDMZVAHIQJU-QWHCGFSZSA-N 284.338 3.506 30 20 CHED C=CCCOCCN[C@H]1CC[C@H](C)c2ccccc21 222446880 LGSGJIUSQMSRBA-YOEHRIQHSA-N 259.393 3.807 30 20 CHED CC(C)(C#N)CCCCn1cc(C(F)(F)F)ccc1=O 232527529 CJVIVHOKWMUJIT-UHFFFAOYSA-N 286.297 3.587 30 20 CHED C#CCCCNC1CC(c2cccc(Br)c2)C1 232558498 YNATWSLMXXKKRH-UHFFFAOYSA-N 292.220 3.698 30 20 CHED C[C@H]1CCCC[C@@H]1NCc1ccc(O[C@H](C)C#N)cc1 237542250 HBXNWLQHDSIMML-VBQJREDUSA-N 272.392 3.646 30 20 CHED Cc1cccc(C)c1OCCCNCc1cccc(C#N)c1 237651046 SOICQLXOVLIVPV-UHFFFAOYSA-N 294.398 3.734 30 20 CHED C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)[C@H]1c1cccc(F)c1 248810777 CNDJTCWSOOTVHG-FZKQIMNGSA-N 297.377 3.619 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 254968097 BCQXVBUMTBAKJR-YVMONPNESA-N 294.276 3.643 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccsc1)C2 255563237 AXEYHLYNKVXXNA-WUXMJOGZSA-N 256.326 3.579 30 20 CHED N#CC1(CNCc2ccc(Cl)c(Cl)c2)CCC1 258835525 DQGNDBHGGLYJJK-UHFFFAOYSA-N 269.175 3.777 30 20 CHED CN(CCCC#N)CCc1cccc2ccccc12 258901417 KSVVFNNDONRWBR-UHFFFAOYSA-N 252.361 3.618 30 20 CHED C=C(Cl)CNC(=O)Nc1c(CC)cccc1CC 265525018 JUSKOMQJHZVUSY-UHFFFAOYSA-N 266.772 3.685 30 20 CHED CN(C(=O)CCC(F)(F)F)c1cc(Cl)ccc1C#N 268713577 BIONEGAXAXSCRK-UHFFFAOYSA-N 290.672 3.517 30 20 CHED C[C@@H](CN(C)C(=O)c1ccc(CC#N)cc1)c1ccccc1 270313665 RSGNWWHXYMZBAR-HNNXBMFYSA-N 292.382 3.628 30 20 CHED CC1(C(=O)Nc2cccc(OCC#N)c2)CCCCCC1 272677725 XVLPHTCFTPOYAC-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1CC(F)(F)F 276017983 BRWFYZZKTLCEOL-UHFFFAOYSA-N 286.297 3.831 30 20 CHED COC(=O)c1ccc(CSCCC(C)(C)C#N)s1 276647793 UMXWEZCUFYEASU-UHFFFAOYSA-N 283.418 3.708 30 20 CHED C#CCCCC(=O)N1CC[C@@](C)(CCc2ccccc2)C1 276984126 HJYGSUYRIKHDOF-LJQANCHMSA-N 283.415 3.661 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)N[C@H](C)CC#N)c2)o1 280992962 KMJKVVQOCIUZIK-GFCCVEGCSA-N 297.358 3.987 30 20 CHED N#Cc1cc2c(nc1N1Cc3cccc(Cl)c3C1)CCC2 288454888 JOVMTVAHQFMVCJ-UHFFFAOYSA-N 295.773 3.616 30 20 CHED C#CCCCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 289461336 QBMDSTKSKMEAKI-HNNXBMFYSA-N 280.371 3.938 30 20 CHED Cc1nc(N2CC[C@H]2c2ccc(Cl)cc2)ccc1C#N 291999728 RHBMZJIEMUSWRE-HNNXBMFYSA-N 283.762 3.867 30 20 CHED C=C(C)Cn1c(C)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 292745461 AJZXPTVRTSNTJC-YOEHRIQHSA-N 296.418 3.545 30 20 CHED CCC(=O)Nc1ccc(Nc2cccc(F)c2C#N)cc1 301140165 HIULARFECKZUPC-UHFFFAOYSA-N 283.306 3.789 30 20 CHED CC(C)c1cnc(Sc2ccc(C#N)cn2)n1C1CC1 301369203 SGDXKCSYRJDDOR-UHFFFAOYSA-N 284.388 3.759 30 20 CHED CCN(Cc1ccccc1Cl)c1cccc(C#N)n1 301823817 HWDNHHVGBYYKPD-UHFFFAOYSA-N 271.751 3.633 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1ccc(C#N)nn1)CCC2 301917525 DWEBSRGDECZKPL-QGZVFWFLSA-N 292.386 3.961 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 303804338 HJBPPWBFPTVUQL-WFASDCNBSA-N 271.364 3.649 30 20 CHED C=C(Br)CSc1nc(C)c(C)s1 306443067 PYMQRSXWQAMWPH-UHFFFAOYSA-N 264.213 3.761 30 20 CHED CC1(C)CCC(/N=C(/O)[C@@H]2C[C@H]2C2CC2)(C(=N)O)CC1 328817500 HIHSWAVALKWIHF-NWDGAFQWSA-N 278.396 3.863 30 20 CHED C[C@H]1CCC[C@H](CC(O)=Nc2ccc3nncn3c2)C1 329097004 CATWCWNYUVVNPJ-RYUDHWBXSA-N 272.352 3.534 30 20 CHED CCOc1cc(Cl)ccc1/C(O)=N/[C@@H]1CCC[C@H]1C#N 330721331 GTYJISWESMYJCI-GXFFZTMASA-N 292.766 3.736 30 20 CHED Cc1nc(-c2nc([C@H]3CCCC[C@H]3C)no2)ccc1C#N 331628232 HOVBIFKBWBXOQA-MFKMUULPSA-N 282.347 3.605 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c1 333601875 CVGUDGREBQIRDZ-IAGOWNOFSA-N 295.386 3.519 30 20 CHED CC(C)(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 334209578 NBTSWJKBRFPKMT-JOYOIKCWSA-N 297.185 3.515 30 20 CHED N#C[C@H](NC(=O)c1ccco1)c1c(Cl)cccc1Cl 334284196 ZYGSNQCXYBRXAT-JTQLQIEISA-N 295.125 3.581 30 20 CHED CCc1sc(C(=O)Nc2sccc2C#N)cc1C 334360302 YPXAUMWZFQUZNZ-UHFFFAOYSA-N 276.386 3.804 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H](C)c1cccs1 338149001 FSPSGLVCUGMDDQ-GFCCVEGCSA-N 284.384 3.761 30 20 CHED C=CCOCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 338888597 SUOGGTKCFTWQQI-CZUORRHYSA-N 275.392 3.570 30 20 CHED C=CCC[C@H](NC(=O)Cc1ccco1)c1ccccc1 340679299 FZJLHAATXBXPKK-INIZCTEOSA-N 269.344 3.646 30 20 CHED C=CCCCN(C)C(=O)c1ccc(SC2CC2)cc1 341319419 VUVAEFSJIUPLAM-UHFFFAOYSA-N 275.417 3.979 30 20 CHED C=CCCN(C)C(=O)c1ccc(OCCCC)cc1 341952470 QLADXJJLVHTMBK-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C=CCCOCCCCC(=O)Nc1ccccc1F 342600013 DERDCFBJOALJNN-UHFFFAOYSA-N 265.328 3.527 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccn(C)c1C1CCC1 345490260 OGDSBHHKLKZVFT-ZDUSSCGKSA-N 274.408 3.767 30 20 CHED CC1(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCC1 346167182 ZLVRMTWZSQYQNU-UHFFFAOYSA-N 290.366 3.610 30 20 CHED CC(C)N(Cc1ccccc1F)C(=O)c1ccc(C#N)cc1 346447808 COLXFMINPARECC-UHFFFAOYSA-N 296.345 3.748 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)c2c[nH]nc2c1 347563773 NRXGSHSTQAPCBY-UHFFFAOYSA-N 269.348 3.578 30 20 CHED C=CCOCCCC(=O)N(CC(=C)C)Cc1ccccc1 347876000 WMRIHZBICIDCQN-UHFFFAOYSA-N 287.403 3.574 30 20 CHED C=CCOCCCN1CCC[C@@H]1c1ccc(F)cc1 347967527 OYJMCWWHGMSYDI-MRXNPFEDSA-N 263.356 3.555 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccnc(OC)c1 348240996 QETBMIRKATUASP-UHFFFAOYSA-N 282.387 3.669 30 20 CHED Cc1ccc2c(c1)[C@H](NCC1(CC#N)CC1)[C@@H](C)C2 348378581 JSLPQPBZPOVEMF-XJKSGUPXSA-N 254.377 3.512 30 20 CHED N#CCCCOc1cccc(CN2CCC[C@H]2C(F)F)c1 348832954 KTTMUVPRZJKJIV-HNNXBMFYSA-N 294.345 3.599 30 20 CHED C=CCCC1(C(=O)NCc2ccc(Cl)cc2)CC1 353301564 AUNYOJPOTKILJW-UHFFFAOYSA-N 263.768 3.703 30 20 CHED CCc1nc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cs1 353429987 VLAAKQCRGVEKPF-IAQYHMDHSA-N 297.427 3.915 30 20 CHED C=C(CNC(=O)c1ccn(C(C)C)c1C)c1ccccc1 354652040 JJDRWQIDSYZWOX-UHFFFAOYSA-N 282.387 3.821 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(C#N)ccc1NC1CC1 355628144 MLINWMPSMUDSIU-TZMCWYRMSA-N 297.402 3.897 30 20 CHED C=CCN(CC=C)C(=O)c1cnn(C(CC)CC)c1CC 361449237 KXMHNGLKLCHQQI-UHFFFAOYSA-N 289.423 3.621 30 20 CHED CCN(CC#N)Cc1ccc(-c2cccc(F)c2F)o1 361576382 GNYRWDOZTJIOQT-UHFFFAOYSA-N 276.286 3.570 30 20 CHED N#CCOc1ccccc1C(=O)N1CCCC12CCCCC2 364430167 RQISAUHQQVRQHW-UHFFFAOYSA-N 298.386 3.528 30 20 CHED N#Cc1ccc(C2=CCN(Cc3cccc(C#N)c3)CC2)cc1 371335521 LQZNNOZEGRUFBR-UHFFFAOYSA-N 299.377 3.719 30 20 CHED COCc1cccc(Nc2nc(C)c(C#N)cc2Cl)c1 380825908 QYMKEYFWPPJCLT-UHFFFAOYSA-N 287.750 3.805 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Br)s1 381288597 CJDDFKAHRFDPLT-GUBZILKMSA-N 299.237 3.853 30 20 CHED N#Cc1ccc(N[C@H]2CC23CCOCC3)cc1C(F)(F)F 386913294 CWBFFSZDUBTOGS-ZDUSSCGKSA-N 296.292 3.558 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc2c(c1)OCO2 389200678 RKKCWLMNPZWVCE-GFCCVEGCSA-N 261.365 3.668 30 20 CHED C=CC[C@H](CC)NC(=O)COc1cccc(C(C)C)c1 410138848 URVPRWNXDHKAII-HNNXBMFYSA-N 275.392 3.660 30 20 CHED CC(C)(C#N)CCN1CC2(CCOCC2)[C@@H]1c1ccccc1 412017266 XZDPBOVKECBFHR-KRWDZBQOSA-N 298.430 3.780 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(CC)C(C)C 413826873 QUKZICXIRUAPIV-MRXNPFEDSA-N 274.408 3.614 30 20 CHED C=C[C@H](CO)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 414123252 BQHIHMFKWFBEBA-IMJJTQAJSA-N 279.811 3.503 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCC[C@@H]2C2CC2)CC1 414195833 OKNHLCXHHAZEMR-KZYLPZIUSA-N 260.425 3.875 30 20 CHED C=CCOCCCN[C@H](C)c1ccc(C2CC2)cc1 419333106 IHUOIAXNEDKMAZ-CQSZACIVSA-N 259.393 3.807 30 20 CHED CC(C)(C)[C@@H]1C[C@H](NCc2ccc(C#N)s2)CS1 421347591 CSCKMVHDWKZYGC-GWCFXTLKSA-N 280.462 3.630 30 20 CHED CC(C)(CCC#N)CN1CCC[C@H](CC(F)(F)F)C1 421381642 AQMYNHIDKJHFBS-GFCCVEGCSA-N 276.346 3.981 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccc(C#N)c(C#N)c1C 421562420 VILNRIWEHCPOIK-CYBMUJFWSA-N 283.375 3.893 30 20 CHED C=C(C)C(C)(C)c1nc([C@@H]2CCOc3ccccc32)no1 424346213 IGAKJUKFDXNJEM-CYBMUJFWSA-N 284.359 3.838 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(OC)c(Cl)c(OC)c1 424892775 LXZXZGDNHAWWPX-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccsc1 425412390 ZLMVRQQYXOXFAD-LBPRGKRZSA-N 299.399 3.522 30 20 CHED CC(C)C[C@H](NC(=O)NCCC#N)c1ccc(Cl)cc1 426457730 ZFTFKYRMRPARLN-AWEZNQCLSA-N 293.798 3.640 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 428629670 VQNZZWRPDYSZJW-SCLBCKFNSA-N 290.366 3.617 30 20 CHED C=C(C)CNC(=O)Nc1c(CC)cc(C)cc1CC 435187049 HHEQGUJQIXGFID-UHFFFAOYSA-N 260.381 3.817 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1cc(F)ccc1F 436302856 ACDSAKWPGHJYHB-ZLIFDBKOSA-N 295.373 3.987 30 20 CHED CC1(C)CN(c2c(C#N)cccc2C#N)Cc2ccccc21 436392319 SMVVWPPELPZXPB-UHFFFAOYSA-N 287.366 3.728 30 20 CHED C=CCCCN(C)C(=O)c1ccncc1Oc1ccccc1 440620869 XSIVPFYSAGGVIX-UHFFFAOYSA-N 296.370 3.912 30 20 CHED C=C[C@H]1CCCCN1c1ccnc2c(OC)cccc12 440640079 UZFLQFLRKKSVEC-ZDUSSCGKSA-N 268.360 3.788 30 20 CHED Cc1cccc(Oc2ccccc2C(=O)NCCCC#N)c1 441295911 KKQAOVIHAIJGGP-UHFFFAOYSA-N 294.354 3.821 30 20 CHED Cc1cnc(CN(Cc2ccc(C#N)cc2)CC(C)C)o1 441527813 ZWYCTFDLPCCZSM-UHFFFAOYSA-N 283.375 3.513 30 20 CHED CCCCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1(C)C 447587494 QMDWDLMLHLNZBC-LVQVYYBASA-N 278.440 3.642 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H]1CCCN(C(C)C)C1 449130235 GBMHKXKPDSUAAJ-SJORKVTESA-N 266.473 3.831 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)Oc1ccccc1 449154685 IZHCTXDKNXAPRD-HPUBIQBYSA-N 272.392 3.516 30 20 CHED COc1cccc([C@H]2C[C@H](NCC(C)(C)CCC#N)C2)c1 449616004 BBWIQGGJWKTELD-WKILWMFISA-N 286.419 3.861 30 20 CHED C=CCc1cc([N+](=O)[O-])ccc1OCCC(C)(F)F 450715772 JASSZWJKHQWIRG-UHFFFAOYSA-N 271.263 3.747 30 20 CHED C=CCC1(C(=O)N2CC[C@H](OCC)[C@H](C)C2)CCCCC1 452861163 LUDOCSAWZTVWHU-CVEARBPZSA-N 293.451 3.787 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)CC1 456141988 ZLCVEIVGNBSYBA-VXGBXAGGSA-N 289.341 3.922 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)CC#N)c1ccc(C)cc1 457489912 MIQMMKIEQFQXTO-HNNXBMFYSA-N 287.407 3.685 30 20 CHED C=C(C)CCNC(=O)N1CCc2sccc2[C@@H]1CC 459019844 NVRZQVIVXVFERF-ZDUSSCGKSA-N 278.421 3.733 30 20 CHED CC(C)(C#N)c1ccccc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 459782190 OIZFGMXXKRYYER-UKPHBRMFSA-N 268.404 3.766 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(CC#N)c1ccccc1 460051246 BRTUTIXTGOXWCK-AWEZNQCLSA-N 258.365 3.615 30 20 CHED Cc1ccc(O[C@H](C)CNc2nc(C)cc(C)c2C#N)cc1 463068445 GPAFCSXOFRCFGQ-OAHLLOKOSA-N 295.386 3.758 30 20 CHED C=CCN(C(=O)C1(c2ccccc2C)CCCC1)C1CC1 464286561 IPJUBATXLWKGNA-UHFFFAOYSA-N 283.415 3.984 30 20 CHED C=C[C@@H](C)NC(=O)C(C)(C)Cc1cccc(Cl)c1 465114554 QEWLCILSKJSMGG-LLVKDONJSA-N 265.784 3.599 30 20 CHED C=C[C@H](C)NC(=O)CSc1ccc(C(C)C)cc1 465118283 WJTCAQVRZCZAQX-LBPRGKRZSA-N 263.406 3.593 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCC1(OCCC)CCCCC1 466539056 KGQQJPMZODVTSH-OAHLLOKOSA-N 281.440 3.834 30 20 CHED C=CC[C@H](CC)N[C@H](COC)c1ccc(Cl)cc1 467408406 QQZGNOATSHCYRX-LSDHHAIUSA-N 267.800 3.972 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)Oc1cccc(F)c1 467994149 KPVBLWAAWIXXDC-PBHICJAKSA-N 293.382 3.702 30 20 CHED C=CCOCCCN[C@@H](c1ccccc1)C(C)(C)C 470776878 NUOYYTOTCGLCTH-INIZCTEOSA-N 261.409 3.956 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)CC1 478422748 VNOAVYVFAVNNHJ-UHFFFAOYSA-N 299.418 3.526 30 20 CHED CC1(C#N)CN(C(=O)CC2CCC(c3ccccc3)CC2)C1 482603256 BCMNTQKTOGUIRP-UHFFFAOYSA-N 296.414 3.723 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2cccc(C#N)c2C)cc1 485453142 RASYSVOPUVTQCE-AWEZNQCLSA-N 292.382 3.992 30 20 CHED Cc1cc(CN[C@H](C)c2c(F)cccc2F)ccc1C#N 488159483 ILWLZHPYTOKJPM-GFCCVEGCSA-N 286.325 3.996 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCOc1cccc(C)c1 488857857 ODXJNWUUIYHMND-MRXNPFEDSA-N 287.403 3.721 30 20 CHED CCN(CCCOc1c(C)cccc1C)C[C@H](C)C#N 496916592 PBRLGFHPOYYTLO-CQSZACIVSA-N 274.408 3.554 30 20 CHED C=C(C)CCN[C@]1(Cc2ccc(Cl)cc2)CCOC1 502601033 ORSDSFXJNCIDRG-INIZCTEOSA-N 279.811 3.597 30 20 CHED C=CC[C@H](C)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 512661419 SCWCSYFAGCYADZ-FRYIKTPZSA-N 298.474 3.841 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)c1ccc2n[nH]cc2c1 513367639 QXKSJDAWOPMQMG-ZDUSSCGKSA-N 284.407 3.934 30 20 CHED C[C@H](NC(=O)c1sccc1C#N)c1ccc(C2CC2)cc1 515806655 RQHLBBJMPHZRDN-NSHDSACASA-N 296.395 3.988 30 20 CHED N#CCC1CCN(c2nc(C3CCCCC3)ns2)CC1 520560147 BDLONCPRVWTDFN-UHFFFAOYSA-N 290.436 3.716 30 20 CHED CCc1ccc(CNc2ccc(COC)c(C#N)c2)s1 527762345 KHCMUGCJXAYTRP-UHFFFAOYSA-N 286.400 3.941 30 20 CHED CCN(C(=O)c1cocc1C)[C@@H](C)c1ccc(C#N)cc1 528160332 POTOOTUCWHTGSL-ZDUSSCGKSA-N 282.343 3.683 30 20 CHED C=CCN(CCc1ccco1)Cc1ncccc1Cl 528442466 YMWXCWZPKHYWIA-UHFFFAOYSA-N 276.767 3.559 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 531558744 KBYNLWTZUFCCCA-UHFFFAOYSA-N 298.386 3.886 30 20 CHED COc1ccccc1CN(C)CC#Cc1cccc(Cl)c1 533312598 GBSTWXPLTCQFJW-UHFFFAOYSA-N 299.801 3.832 30 20 CHED CCN(Cc1cccc(C#N)c1)c1ccccc1OC 533349129 QVGKATUQOMOBQB-UHFFFAOYSA-N 266.344 3.593 30 20 CHED CCN(Cc1ccc(OC)c(C#N)c1)Cc1ccccc1C 533538928 WIUKFKLVZTXJHG-UHFFFAOYSA-N 294.398 3.897 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(-c2ccccc2)on1 537234394 DBXBXXBBFTWQHQ-CYBMUJFWSA-N 284.359 3.816 30 20 CHED C=CCOc1ccc(CN2CCSC[C@@H]2C)cc1Cl 537631542 QCTKFLGHNMXISU-LBPRGKRZSA-N 297.851 3.842 30 20 CHED CC[C@@](C)(C#N)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 537858789 SLCMDOORXDWFCL-WBMJQRKESA-N 292.810 3.717 30 20 CHED C[C@H](NCc1cc(F)cc(F)c1)c1ccc(C#N)c(F)c1 538508081 VJKKUZFMGWAJJD-JTQLQIEISA-N 290.288 3.826 30 20 CHED CC(C)C[C@@H]1C[C@H](Nc2ccc(F)cc2C#N)CCO1 538510350 CMTFTMHAUDBLBU-HUUCEWRRSA-N 276.355 3.703 30 20 CHED CC(C)(C)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 538728637 MRVLXQHIZVVEBE-JKSUJKDBSA-N 256.393 3.804 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)CCCc1ccccc1 539366938 JBNKNHHIYFDHDF-MRXNPFEDSA-N 271.404 3.846 30 20 CHED C=CCCC[C@H](C)NC(=O)N1Cc2ccccc2C[C@H]1C 539392232 STCNTSKGWXJEFQ-LSDHHAIUSA-N 286.419 3.888 30 20 CHED C=CCCC[C@H](C)NC(=O)Cn1c(C)cc2ccccc21 539437613 YKLZTSCTMHJNPE-AWEZNQCLSA-N 284.403 3.811 30 20 CHED Cc1ccnc(N[C@@H](Cc2ccccc2)C2CC2)c1C#N 543136948 DSVVFLMXAAHAPP-KRWDZBQOSA-N 277.371 3.695 30 20 CHED Cc1nc2c(c(Sc3ccc(C#N)cc3)n1)CCCC2 543865231 ALPMMDKGUMWIRI-UHFFFAOYSA-N 281.384 3.687 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@@](C)(CC)C1 549262025 IMBFOBKMZUEANZ-QGZVFWFLSA-N 290.455 3.679 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@H]2F)cc1C(F)(F)F 549702309 LTTPUDHGNCSRAI-NEPJUHHUSA-N 272.245 3.880 30 20 CHED C=CCC(C)(C)c1noc(CSCC(F)(F)F)n1 551493889 NGGHSZBCODALMP-UHFFFAOYSA-N 280.315 3.719 30 20 CHED CCc1ccc([C@@H]2CCCN(c3cccc(C#N)n3)C2)cc1 553386539 RBKRKOOIMMPNLY-QGZVFWFLSA-N 291.398 3.900 30 20 CHED C=CCC[C@@H](NCC1CCN(CC)CC1)c1ccco1 554586527 ZYZYGSDRCNVTGC-MRXNPFEDSA-N 276.424 3.608 30 20 CHED Cc1ccc([C@@H]2CCN(c3snc(C)c3C#N)C2)c(C)c1 557676659 WMLJBHSYMDWOOW-CQSZACIVSA-N 297.427 3.934 30 20 CHED Cc1nc(N2CC[C@H](C)[C@@H]3CCCC[C@H]32)ccc1C#N 567167611 RRSZXYWECUHQIK-VBNZEHGJSA-N 269.392 3.667 30 20 CHED C[C@@H](Cc1ccsc1)N1CCCC(C)(C)[C@@H]1C#N 570664850 CDYXSAFHCMVDGX-JSGCOSHPSA-N 262.422 3.693 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1Cc1ccc(C#N)cn1 570981619 SFACHZPVBDATCL-VCBZYWHSSA-N 291.398 3.720 30 20 CHED Cc1nc(NC[C@H]2C[C@H](C)O[C@H](C)C2)c(Cl)cc1C#N 571103795 VIUQZCCNJMMXGL-PEGIJTEDSA-N 293.798 3.531 30 20 CHED C=CCN(CC=C)c1nnc(C2CCCC2)n1CC(=C)C 572452503 RCFNJGHSUBZZRL-UHFFFAOYSA-N 286.423 3.690 30 20 CHED CC(C)COc1ccccc1NC[C@H](C#N)CCC#N 573480071 GCCISFZETBJULV-AWEZNQCLSA-N 271.364 3.577 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)CC1CCCCC1 576611345 PMBMCVXQNIEDDE-CQSZACIVSA-N 264.413 3.744 30 20 CHED N#CC1(CN[C@H]2CCC[C@H]2c2ccccc2Cl)CC1 576894267 NEEGOBXTWXVCBR-ZFWWWQNUSA-N 274.795 3.869 30 20 CHED Cc1ccccc1[C@H]([C@H](C)Nc1ccc(C#N)cc1)N(C)C 584264808 ULAJGQBTDLWBET-KXBFYZLASA-N 293.414 3.970 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1c(C)oc(C)c1C 585698071 JIMZOQXCVSRDNE-UHFFFAOYSA-N 298.342 3.728 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2nccn2-c2ccccc2)c1 588579311 NZJQYKKMCQOEOT-KTKRTIGZSA-N 299.333 3.640 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\CCCOC(F)F 588619653 HFGMBVQTPWZYML-SOFYXZRVSA-N 298.116 3.747 30 20 CHED COc1cc2ccccc2cc1CN1CCC[C@](C)(C#N)C1 590648883 IUYKQSSREOCYOF-LJQANCHMSA-N 294.398 3.974 30 20 CHED Cc1cc(N2CCS[C@@H](c3ccccc3)C2)c(C#N)cn1 591822281 VVHZMIHEFNNIFH-QGZVFWFLSA-N 295.411 3.556 30 20 CHED C[C@@H]1CC2(CCOCC2)CN1[C@H](C)c1ccc(C#N)cc1 592182655 NUILXTDWBWQHAS-HUUCEWRRSA-N 284.403 3.510 30 20 CHED CCOC1CC(CSc2ccc(C#N)c(C)c2)C1 592355497 IVZSTTQJQGZEMR-UHFFFAOYSA-N 261.390 3.774 30 20 CHED CCCC(C)(C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 593111849 BUDAFAQACWEKQM-CYBMUJFWSA-N 278.783 3.847 30 20 CHED CCCCN(C(=O)[C@H](C#N)CC)[C@H](C)c1ccccc1 593428256 YRNNQCLREWEMCM-CABCVRRESA-N 272.392 3.926 30 20 CHED N#C[C@H]1CC[C@H](Sc2ccc(-c3ccco3)nn2)C1 593440670 BFSDNJIMIIYYRC-QWRGUYRKSA-N 271.345 3.521 30 20 CHED C=CCCSCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C 595061231 YWMNIWNUMQPCSH-ZDUSSCGKSA-N 294.420 3.863 30 20 CHED COc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1C 595105710 PJDZUDRYRMYIFS-CQSZACIVSA-N 280.371 3.726 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCCCCC#N 595489469 SNECAXKLIQTQFH-MRXNPFEDSA-N 299.418 3.844 30 20 CHED N#CC[C@@H]1CCCN(c2nc3cccc(F)c3s2)C1 596324904 FOKAONFDOYPDSV-JTQLQIEISA-N 275.352 3.565 30 20 CHED C=CCCSCCNc1nccc2c(N)cccc12 596413313 KHYGYCSZJOZUIF-UHFFFAOYSA-N 273.405 3.538 30 20 CHED CC[C@H](C)N(CC)C(=O)NCc1ccc(C#N)c(Cl)c1 596595994 XSCMRIGAPOMRHS-NSHDSACASA-N 293.798 3.542 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 597034577 PQROXXCFWOSTPI-LMMKCTJWSA-N 298.430 3.700 30 20 CHED COCc1ccccc1/C=C(/C)CN1CCC[C@H](CC#N)C1 597175321 AVKJEMXREXWMFO-TXQCQQFXSA-N 298.430 3.862 30 20 CHED N#CC[C@@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 597178027 TYHTWGCQDXQDFS-LBPRGKRZSA-N 275.421 3.536 30 20 CHED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)c(C)c1O 597384507 DHNZOZSCQGOEBI-UHFFFAOYSA-N 286.375 3.812 30 20 CHED C[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1cccc(Cl)c1 597909176 HMQUFLYWHBHMQS-QWHCGFSZSA-N 290.794 3.596 30 20 CHED CC(C)(C#N)C[C@@H](O)CN1CC2(CCC2)[C@H]1c1ccccc1 598705586 KVFAOHOCGXFGQQ-IAGOWNOFSA-N 298.430 3.514 30 20 CHED N#Cc1cccc(CN2CCCCC[C@H]2c2ccco2)n1 602470534 HKQUEWUMINHTHZ-INIZCTEOSA-N 281.359 3.664 30 20 CHED Cc1ccc(-c2ccnn2C)cc1NC[C@@H](C)CCC#N 602650570 YLSPUDAPTZHFHV-ZDUSSCGKSA-N 282.391 3.747 30 20 CHED CC1=Nc2ccccc2C12CCN([C@@H](C)CCC#N)CC2 602863373 NCHKZOGUVKKPCG-AWEZNQCLSA-N 281.403 3.818 30 20 CHED C=CCOc1ccc(C(=O)N2CCCC[C@@H]2C(C)C)cc1 604961619 RWVIDJXWRATTSW-QGZVFWFLSA-N 287.403 3.902 30 20 CHED C=CCCSc1nnc(-c2ccc(F)cc2)o1 606755955 TYLQTHGVWHJBNT-UHFFFAOYSA-N 250.298 3.544 30 20 CHED CC(C)C[C@H](C#N)NC(=O)Cc1c(Cl)cccc1Cl 608822325 CKRTVBMRVUJZJW-SNVBAGLBSA-N 299.201 3.590 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(F)c(C#N)c2)C1 609102543 IGPCAFIXVIBASK-NWDGAFQWSA-N 274.339 3.852 30 20 CHED CCC1(O)CCC(Nc2ccc(C#N)c(Cl)c2)CC1 611306282 FZUMTWAJAMPFKD-UHFFFAOYSA-N 278.783 3.707 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)C#N)c1cccc2ccccc12 611622991 SJQVKMPSCKWXMS-CYBMUJFWSA-N 295.386 3.750 30 20 CHED CC(C)c1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1 614292848 BGVROLANBYCQMK-UHFFFAOYSA-N 280.327 3.640 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 616435251 RHVHKJLIYXIGEE-SFHVURJKSA-N 282.387 3.720 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)c2c(F)cccc2F)C1 617782117 YVKTXSKDUQIMPV-CHWSQXEVSA-N 293.357 3.883 30 20 CHED C=C(C)CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618449843 JKTDCZSBVPJNFI-RKDXNWHRSA-N 275.236 3.625 30 20 CHED Cc1noc([C@@H](C)SCc2ccc(C#N)c(C)c2)n1 618658388 UUGRBTQPDOLJGR-SNVBAGLBSA-N 273.361 3.553 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1 619365139 BQTBYHGWWVOAOD-ZACQAIPSSA-N 269.388 3.605 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCCCCc1ccccc1 619568776 CSOUSXTWYDIWGJ-UHFFFAOYSA-N 295.342 3.901 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2c[nH]c3cc(Cl)ccc23)C1 619672685 RWKRIHUOBKIQLE-RISCZKNCSA-N 287.794 3.646 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC1CCC(C(F)F)CC1 619673642 OMDHRYPAOILKKP-PXCJXSSVSA-N 290.357 3.959 30 20 CHED C=CCN(C(=O)[C@@H](C)OCCC(C)C)c1ccccc1 620455375 DILDHWGMSYWDLV-OAHLLOKOSA-N 275.392 3.657 30 20 CHED C=C(C)[C@H](CC(=O)N(c1cccc(F)c1)C(C)C)OCC 622971878 HXCFTCBATWVRQK-INIZCTEOSA-N 293.382 3.938 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2ccccc2n1 640514126 GETLAYWEBPIKGO-CQSZACIVSA-N 281.359 3.807 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1C1CCC1 649639492 WTZOVZQJPGRTSA-JKSUJKDBSA-N 287.378 3.777 30 20 CHED C=CCC[C@H](N[C@@H]1CCOc2c(OC)cccc21)C1CC1 655850246 GOLHBFCGEMLIAV-JKSUJKDBSA-N 287.403 3.853 30 20 CHED C=CCOc1ccccc1-c1nc([C@@H](CC)OCC)no1 665041120 QWTBGTOSIWSXFB-CYBMUJFWSA-N 288.347 3.789 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CC23CCCCC3)cc1 678370618 IITNYKBKAPEGOS-INIZCTEOSA-N 285.387 3.704 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)N(CC)CC2 682379082 VLAKMSCWNTUUNN-QGZVFWFLSA-N 272.392 3.610 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1CCc2c(Cl)cccc21 684939208 MMAAOPMPHAUFDX-BXUZGUMPSA-N 277.795 3.841 30 20 CHED Brc1ccc(CNN=C2CCCCC2)cc1 726740222 YGYVJMPHMNRGEP-UHFFFAOYSA-N 281.197 3.859 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(O)c(C)c1 728225462 SRTKCMSIGXGQSH-UHFFFAOYSA-N 254.333 3.845 30 20 CHED C#Cc1cccc(NC(=O)C[C@H](C)c2ccccc2OC)c1 728462243 SOEBFXGFTMSYNG-AWEZNQCLSA-N 293.366 3.809 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1cc(C)ccc1Cl 729073387 VXXKOCRKCLQYDC-NSHDSACASA-N 268.740 3.535 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=S)N(CCC#N)CC(C)(C)C 729646157 OJSGRVNWJHUSOZ-KGLIPLIRSA-N 295.496 3.701 30 20 CHED C=CCNC(=S)N[C@H](C)c1cc2ccccc2s1 730436999 OFBRJPXBQVDCBF-SNVBAGLBSA-N 276.430 3.612 30 20 CHED C=C(C)CNC(=S)Nc1ccccc1SCCC#N 730953139 PKNCXUUOTCFPIB-UHFFFAOYSA-N 291.445 3.555 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1 730976485 QRVNLWKCAAUGDS-UHFFFAOYSA-N 299.757 3.913 30 20 CHED C#CCOc1cccc(NC(=O)Nc2cccc(C)c2)c1 731042192 HPESFKMTYTWROW-UHFFFAOYSA-N 280.327 3.651 30 20 CHED CCC(=NNc1cc(C)ncn1)c1cccc(Cl)c1 731935435 YVNNHLFUAQYGIO-UHFFFAOYSA-N 274.755 3.665 30 20 CHED CCCCCCCCC(=O)Nc1nc(C2CC2)no1 734876763 SNLXKOXPKSKJAT-UHFFFAOYSA-N 265.357 3.636 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(C)ccc1F 734978410 GUNPIGUUWGQTQU-UHFFFAOYSA-N 281.334 3.928 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)Cc1ccon1 740036362 RNMYKOZRCHGTJC-CQSZACIVSA-N 295.427 3.813 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(F)c2)C12CCC2 741163238 QQCXXDJUOKLJMF-CQSZACIVSA-N 262.328 3.573 30 20 CHED Clc1ccc([C@H]2CCCC2=NNc2cccnn2)cc1 741460827 QNKZZBBBERYSRI-CYBMUJFWSA-N 286.766 3.866 30 20 CHED CCOc1cccc(/C=N\[C@@H]2C[C@H]2Cc2ccccc2)c1O 741463611 HINGMIAILOUCKB-ARHDRIAESA-N 295.382 3.841 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@@H](C)CC(C)C 741643168 QPRMPUYPWKOZLJ-ZDUSSCGKSA-N 291.366 3.849 30 20 CHED COc1ccc(C=NNc2ccc(Cl)cc2)cc1C#N 741759298 IQQBTYRSFLIEFX-UHFFFAOYSA-N 285.734 3.666 30 20 CHED Oc1nc2ccccc2cc1/C=N/CC(C1CC1)C1CC1 743044550 LKXWKRQIAZMEDD-VXLYETTFSA-N 280.371 3.796 30 20 CHED N#CCOc1ccc(C=NNc2ccc(Cl)cc2)cc1 744515895 CAVSXRVPVNRKGZ-UHFFFAOYSA-N 285.734 3.688 30 20 CHED CC#CCOC(=O)c1ccc(-c2ccc(OC)cc2)cc1F 744974215 LUTAOTWXLYNHBS-UHFFFAOYSA-N 298.313 3.681 30 20 CHED C=C(C)CNC(=S)N(CC(C)C)c1ccccc1 745685981 DCHUTUWVRGSYFQ-UHFFFAOYSA-N 262.422 3.600 30 20 CHED Cc1ccccc1C=NNc1cc([N+](=O)[O-])ccc1C 747061404 GWNXOFWQPUMGSW-UHFFFAOYSA-N 269.304 3.658 30 20 CHED COc1ccc(NN=Cc2cc(C)ccc2F)cc1 750921688 KDERYXDWXOPZEU-UHFFFAOYSA-N 258.296 3.589 30 20 CHED Fc1ccc(NN=C[C@@H]2CCOc3ccccc32)cc1 752156278 ZMHKHECBVKBDSK-LBPRGKRZSA-N 270.307 3.790 30 20 CHED CC(CC1CCCC1)=NNCCc1ccccc1F 752732212 DQXCGUDOGYOBPM-UHFFFAOYSA-N 262.372 3.914 30 20 CHED O=C(/C=C/c1cc2cc(F)ccc2o1)c1ccnc(O)c1 752875604 IEIFNQMJXYOZBD-NSCUHMNNSA-N 283.258 3.569 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc(CC(C)C)cc1 753711755 NNNKGWLNYFSABL-KTKRTIGZSA-N 282.387 3.998 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cccc(Cl)c1 755822072 KFZLXFLMPBMIID-ZDUSSCGKSA-N 253.729 3.607 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cc(C)cc(C)c1)OCC 756474619 XTKFZAJUUDTAFL-MRXNPFEDSA-N 276.376 3.718 30 20 CHED CCc1ccc(C(C)=NN=c2cc[nH]cc2Cl)s1 756839598 QVRPLLQSRUBSNT-UHFFFAOYSA-N 279.796 3.617 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2ccc(O)c(Cl)c2)c1 757467714 IJKCQPWSUIWYBP-ZZXKWVIFSA-N 288.730 3.956 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(F)ccc2F)c(O)c1 757472587 PENKMZXSXMKEQC-UQCOIBPSSA-N 290.265 3.575 30 20 CHED COc1ccc(/C=C2/CCCC(C)(C)C2=O)c(OC)c1 757529358 LYYWVHNZTQNSIZ-RAXLEYEMSA-N 274.360 3.866 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@H](C)C1(C)CC1)c1ccccc1 757761859 OVSNCUMOALXEIV-ZBFHGGJFSA-N 284.403 3.581 30 20 CHED C#CC[C@H](NC(=O)N1CCCC[C@@H]1C(C)C)c1ccccc1 757777056 DSQIMQRKGBKBGH-ZWKOTPCHSA-N 298.430 3.971 30 20 CHED CC[C@H](C)COC(=O)c1ccc(C(F)(F)F)cc1C#N 758129784 UFTQIGUOMUUOLN-VIFPVBQESA-N 285.265 3.780 30 20 CHED Cc1cccc2ncc(/C=C\C(=O)c3ccc(Cl)nc3)n12 759081493 HMKCTRVXFJQACJ-SREVYHEPSA-N 297.745 3.587 30 20 CHED C[C@@H](C(=O)OCc1cc(F)ccc1C#N)C1CCCC1 759361243 VUAFNGLKAHELII-LLVKDONJSA-N 275.323 3.567 30 20 CHED COc1cccc(CCCON=Cc2cccs2)c1 759760316 BBEXOGHUMDCDBG-UHFFFAOYSA-N 275.373 3.740 30 20 CHED Cc1cc(C)c(C=NNc2cccc(Br)c2)[nH]1 760239049 GUQANCKPVLGKCI-UHFFFAOYSA-N 292.180 3.840 30 20 CHED Cc1cc(C=NNCc2cc(F)ccc2F)c(C)s1 760252499 ARGZRIBMEGPOJW-UHFFFAOYSA-N 280.343 3.767 30 20 CHED C#CCCNc1ccc(Cl)cc1NC(=O)c1ccco1 760291115 SKNMQPIGFUNDPH-UHFFFAOYSA-N 288.734 3.621 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc3c(c1)ncn3C)C2=O 761201395 SQQVBQPQTYSHGU-ZSOIEALJSA-N 288.350 3.704 30 20 CHED Clc1oc2ccccc2c1C=NNc1ccccn1 761252939 MFEOPCJPTOTQAM-UHFFFAOYSA-N 271.707 3.927 30 20 CHED C#CCCc1noc(C(C)(C)c2ccc(Cl)cc2)n1 762008091 YSVNQWQCNGQBGG-UHFFFAOYSA-N 274.751 3.615 30 20 CHED C#CCCCc1nc(-c2cccc3ccccc23)no1 762565507 MTRHKGYKQABNQV-UHFFFAOYSA-N 262.312 3.846 30 20 CHED C=CCN(C(=O)c1cccc(Cl)c1F)C(C)C 763355509 XEQPTWPFEGRDBX-UHFFFAOYSA-N 255.720 3.516 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(CC)CCCCC2)c1 763465817 BYSCKERCANLEMD-UHFFFAOYSA-N 269.388 3.991 30 20 CHED Fc1ccc(CC=NOCCC(F)(F)F)c(Cl)c1 766479181 XCBGYRUVLAVKNV-UHFFFAOYSA-N 283.652 3.976 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCC(C)(C)C1 767152294 MGYFBCQOOPJVRX-GFCCVEGCSA-N 289.341 3.617 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(C(C)C)c(Cl)c1 767303647 RYIKPPOTNNLFEP-NSHDSACASA-N 263.768 3.557 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Nc2ccccc2)nc1 767931502 MGUICUNPONIGOD-UHFFFAOYSA-N 293.370 3.813 30 20 CHED C#CCN(CC)C(=O)NC1CCC(C)(c2ccccc2)CC1 769190910 TZTZBCTUWKBVCP-UHFFFAOYSA-N 298.430 3.552 30 20 CHED C=CCN(C(=O)[C@H](F)c1ccccc1)c1ccccc1 769437136 UNVRSVGRFPAKGH-MRXNPFEDSA-N 269.319 3.916 30 20 CHED c1ccc([C@H]2CCC2=NNc2cnnc3ccccc23)cc1 769790420 KZMMNEAUJSTWJU-CQSZACIVSA-N 288.354 3.975 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccccc1-c1ccccc1 770055247 UZAMIAQWOPTARZ-AWEZNQCLSA-N 278.355 3.839 30 20 CHED Cc1ccc(C)c(C(=O)OC[C@H](C#N)Cc2cccs2)c1 772732576 JCARSUSWAJLHDX-AWEZNQCLSA-N 299.395 3.904 30 20 CHED Cc1cccc2c1OCCC2=NNc1nccnc1C(C)C 773085869 MXDAIPCJOKOMTL-UHFFFAOYSA-N 296.374 3.507 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccsc1Cl 773148828 IFJICFZJPXFBBG-IZZDOVSWSA-N 286.743 3.766 30 20 CHED C=C(CC)COC(=O)/C=C\SCc1ccco1 773529343 KBULSLMSYVZZPR-VURMDHGXSA-N 252.335 3.536 30 20 CHED C#CC[C@H](NCc1cccc(Cl)n1)c1ccccc1 775400945 UPMOAXQXGZHBLF-HNNXBMFYSA-N 270.763 3.589 30 20 CHED CCCCCCCCCNC(=O)N1CC=C(COC)CC1 776103588 XSYPOOJZAIGQDW-UHFFFAOYSA-N 296.455 3.725 30 20 CHED Cc1cccc(-c2n[nH]cc2/C=C/C(=O)c2cscn2)c1 776193004 VEAGDWQSQBZQIG-AATRIKPKSA-N 295.367 3.738 30 20 CHED Cc1cc(C)cc(OCCC(=O)OCCC(C)(C)C#N)c1 776371813 KOUHVPLDFQBWCU-UHFFFAOYSA-N 289.375 3.555 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H]1COC2(CCCCCC2)O1 777313563 IHQOPDIDHUIVEQ-JYJNAYRXSA-N 281.440 3.643 30 20 CHED Oc1cccc2c1CCCC2=NNc1cc(Cl)ccn1 777906264 HHENSDPKNVDDAG-UHFFFAOYSA-N 287.750 3.593 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(Cl)cn1 778132012 ZIQASOPZWIBELG-UHFFFAOYSA-N 265.740 3.547 30 20 CHED S=C(NN=Cc1sccc1Cl)Nc1ccccc1 782128736 WKFDBVYCHFFCGD-UHFFFAOYSA-N 295.820 3.722 30 20 CHED Clc1ccsc1C=NNCc1ccccc1 782165234 DHPFXLBABONPQH-UHFFFAOYSA-N 250.754 3.525 30 20 CHED C=CCCN(Cc1cc(OC)ccn1)OCc1ccccc1 782669711 RHFCLHYOLGVGAC-UHFFFAOYSA-N 298.386 3.600 30 20 CHED Cc1ccc2c(CC(=O)OCCCC(C)(C)C#N)c[nH]c2c1 783372729 QBYBDVGTXZAAHI-UHFFFAOYSA-N 298.386 3.892 30 20 CHED C[C@H](OC(=O)C(F)=C1CCCC1)c1cccc(C#N)c1 784153250 SWKWOOTXBGIMDQ-NSHDSACASA-N 273.307 3.960 30 20 CHED CC(C)[C@@H](F)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 784159590 VWRWLRUXYCUSNG-MFOWVQHXSA-N 282.403 3.595 30 20 CHED C#CCCCCc1nc(-c2cccc(C)c2F)no1 784195244 KTQNIWXYHLWOGS-UHFFFAOYSA-N 258.296 3.530 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCc1ccsc1 785862084 RSUHWRJGXVVWGP-CQSZACIVSA-N 263.406 3.638 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1C[C@H]1c1ccc(F)cc1 788321244 PLFMDOHMFJTJIC-RDUZZNEKSA-N 285.318 3.515 30 20 CHED CC1(C)C(=NO[C@@H]2CCCCO2)C[C@H]1Oc1ccccc1 789033482 IPFBIWWDQBNZTO-HZPDHXFCSA-N 289.375 3.763 30 20 CHED CCC(=NNc1cc(Cl)cc(Cl)c1)c1ccn(C)n1 790202650 UXSATNIQCWJXKU-UHFFFAOYSA-N 297.189 3.953 30 20 CHED C#C[C@H](CCC)NC(=O)CCc1ccc(-c2ccccc2)o1 791197634 PNQSSTHHRQCHHZ-MRXNPFEDSA-N 295.382 3.797 30 20 CHED CCCCCCCCNC(=O)N1C[C@H](C2CC2)O[C@H](C)C1 792149049 PYVMNBUOYCNSHX-GDBMZVCRSA-N 296.455 3.556 30 20 CHED C[C@]1(C=NNc2cccc(C(F)(F)F)n2)CCCS1 793017329 YMCAZWGRHCOMKH-LLVKDONJSA-N 289.326 3.784 30 20 CHED C(=NOCc1cccnc1)c1ccc2c(c1)CCCC2 793033913 GAWHBYBSZUYECV-UHFFFAOYSA-N 266.344 3.511 30 20 CHED COc1cc(F)cc(NN=C2CCC[C@@H]2c2ccccn2)c1 794919205 RJBLFYAQSPVQFS-OAHLLOKOSA-N 299.349 3.965 30 20 CHED CC(C)C1CCC(C=NNc2nc3ccccn3n2)CC1 794940157 QSVMWGYQPLDVES-UHFFFAOYSA-N 285.395 3.589 30 20 CHED CCOc1c(Cl)cccc1C=NNc1ncccc1F 794984895 OSNUGQMSYUXUMR-UHFFFAOYSA-N 293.729 3.719 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)C(C)C 797404980 WOUSVHUITXJKMT-UHFFFAOYSA-N 254.765 3.697 30 20 CHED Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C)c2ccccc2)cc1 797612258 WCQLOUFFDJTUOA-RDRICISKSA-N 293.366 3.611 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2cc(C#N)oc2C)c1 797886163 IDPZNAIBWYMEMK-NSHDSACASA-N 269.300 3.686 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C#N 799292655 JRWHFMVDGNFLIA-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Cc1ccc(C(=O)N[C@H](c2cccs2)C2CC2)cc1C#N 799300773 YMVVYTYWVGNZTG-INIZCTEOSA-N 296.395 3.809 30 20 CHED CCOc1ccc(NC(=O)c2ccc(C)c(C#N)c2)c(C)c1 799318450 GAUKLIWOOXVBLZ-UHFFFAOYSA-N 294.354 3.826 30 20 CHED Cc1ccc(C(=O)N(C)[C@H]2CCC(C)(C)C2)cc1C#N 799378799 RCDIDNCJHVEFRD-HNNXBMFYSA-N 270.376 3.517 30 20 CHED CCOc1ccc(N[C@H]2CC[C@H](C#N)C2)c2ncccc12 799723829 VAEWVFJGUQGLSL-STQMWFEESA-N 281.359 3.738 30 20 CHED COc1ccc(/C=C\C(=O)c2c(C)cc(C)cc2O)cc1O 799894925 JAEPROUHWQMMAB-XQRVVYSFSA-N 298.338 3.619 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(C)cc(C)n1 800887820 BQKRPGGVKYCCMO-UHFFFAOYSA-N 286.419 3.907 30 20 CHED CC(C)(C#N)COC(=O)c1ccccc1Oc1ccncc1 802128576 FUKURBOFINXKEM-UHFFFAOYSA-N 296.326 3.580 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc(C(F)F)cc1 803783277 ZHDJRNGVFBMLBH-AWEZNQCLSA-N 267.275 3.607 30 20 CHED CC[C@@H](C)n1nc(Nc2nc(Cl)c(C#N)s2)cc1C 804596174 WPAYHXVSVRMIAF-SSDOTTSWSA-N 295.799 3.888 30 20 CHED CCCCCCCCCN1CC[C@H](C(=O)N2CCCC2)C1 805812833 FEJUIWFMKDAURL-KRWDZBQOSA-N 294.483 3.681 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CC[C@@H]2C2CC2)c1 806145732 FWHDTZYGHKHVKI-NXHRZFHOSA-N 284.403 3.646 30 20 CHED c1ccc2c(c1)C(=NN[C@@H]1CCSC1)c1ccccc1-2 808000149 FQAUELSNXQDIMP-GFCCVEGCSA-N 280.396 3.515 30 20 CHED CC(=NN[C@@H]1CCSC1)c1oc2ccccc2c1C 808003125 UPZITAGKRDFRNZ-GFCCVEGCSA-N 274.389 3.560 30 20 CHED C(=NNCC1CCCC1)c1cnc(C2CCCC2)s1 808007212 VHGIRUCLJHGKAI-UHFFFAOYSA-N 277.437 3.914 30 20 CHED C#CCCc1noc(CC2(CSc3ccccc3)CC2)n1 809396385 FHIZMMYBOVQKGZ-UHFFFAOYSA-N 298.411 3.750 30 20 CHED C#Cc1ccc(CN2CCC(c3ncc(C)s3)CC2)cc1 809654960 VWUKKNJDNUSYFA-UHFFFAOYSA-N 296.439 3.812 30 20 CHED CC(C)(C)OC(=O)C1CCC(=NOC/C=C/Cl)CC1 811672128 QRFYVCLTUKGXJU-GXMNLAJHSA-N 287.787 3.643 30 20 CHED C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 812185386 QDRWWYMOZMOWNX-CABCVRRESA-N 298.430 3.505 30 20 CHED Clc1cccc(NN=Cc2cccnc2Cl)c1 814694088 UXPUWFJCCUGCRQ-UHFFFAOYSA-N 266.131 3.834 30 20 CHED Cc1cc(Cl)cc(C=Nn2c(S)nnc2C(C)C)c1 814736953 XUSWIEGSUJPMQO-UHFFFAOYSA-N 294.811 3.534 30 20 CHED CCc1ccccc1NN=C(C)c1cc([N+](=O)[O-])ccc1N 814801511 HXHRDARFHDFTJF-UHFFFAOYSA-N 298.346 3.576 30 20 CHED CC1(C=NNc2c(Cl)cc(F)cc2Cl)COC1 814890833 BLPFNXRLMXRBSI-UHFFFAOYSA-N 277.126 3.567 30 20 CHED C[C@@H](NN=C[C@H]1CCCC(C)(C)C1)c1ccncc1 819816907 RTMACOZPYOPKCE-KGLIPLIRSA-N 259.397 3.934 30 20 CHED C#Cc1cccc(CNCc2ccccc2C2CC2)c1 825227676 XOCNQOWHXQYCKA-UHFFFAOYSA-N 261.368 3.835 30 20 CHED C#Cc1cnc(N2CC[C@H](C)C[C@H]2c2ccc(CC)o2)nc1 827702730 WBOPYIHIKPDQNV-BBRMVZONSA-N 295.386 3.591 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)C#CC(C)C)cc1 828607296 SLHXPLWWBYOVFL-KRWDZBQOSA-N 269.388 3.708 30 20 CHED CCc1nocc1/C=C1\C(=O)c2cccc3c2[C@H]1CCC3 834434993 ZDHGKCIXYFOYBC-GRRFOWRYSA-N 279.339 3.937 30 20 CHED CC[C@@](C)(C=NNc1ccc(C#N)cc1C(F)(F)F)OC 834976659 NOKZVNJXWRAYMH-ZDUSSCGKSA-N 299.296 3.790 30 20 CHED CC(C)CC[C@H]1CCC(=NNCCc2ccccn2)C1 834977137 QTVWSXWJKBKLTD-HNNXBMFYSA-N 273.424 3.806 30 20 CHED C#CCN(C(=O)Nc1ccc(Cl)c2ncccc12)C1CC1 836261137 XBCIBRWYSUKUEH-UHFFFAOYSA-N 299.761 3.518 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2C(=O)C#CC2CC2)cc1 837497208 DLYRWSPMGVHFNI-SFHVURJKSA-N 281.399 3.887 30 20 CHED C=CCC1(C(=O)OCc2nccn2C(C)C)CCCC1 838280237 NQSUZZAQTATTHM-UHFFFAOYSA-N 276.380 3.644 30 20 CHED C=CCONC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 838707103 GPMIDHAVBIUUNP-MRXNPFEDSA-N 299.374 3.522 30 20 CHED C=CCC(F)(F)C(=O)N1c2ccccc2SC[C@H]1C 839296317 CRUDYHBBWYCARA-SNVBAGLBSA-N 283.343 3.725 30 20 CHED CCCC[C@@H](CC)CNC(=S)N(C)CC(C)(C)C#N 840751323 XTFRFPSSYLNMRF-CYBMUJFWSA-N 283.485 3.559 30 20 CHED CCCCCCCCN(C)[C@@H](C)c1nc(C)no1 847059936 VSBNDWJMWGSRLA-LBPRGKRZSA-N 253.390 3.731 30 20 CHED C/C(=C/Cl)CSCCc1ccc(C#N)cc1 849895166 HTSJDQZQDUWNAQ-FLIBITNWSA-N 251.782 3.977 30 20 CHED C#CCCCCCOC(=O)CC[C@H]1CC1(Cl)Cl 850928383 GRWUOCDVWFIHBI-NSHDSACASA-N 277.191 3.697 30 20 CHED FC(F)(F)[C@@H]1CCC[C@@H](C=NOCc2cccnc2)C1 853323165 RQCGVQPPQRAGGP-DGCLKSJQSA-N 286.297 3.953 30 20 CHED Cc1ccc(F)cc1NN=C[C@@]1(C)CCCS1 853393272 ADTRHYRNRMNUQY-CYBMUJFWSA-N 252.358 3.818 30 20 CHED COCCC(=NNc1ccc(C)c(F)c1)C(C)C 853438494 DKNJBMCNLQNGKW-UHFFFAOYSA-N 252.333 3.595 30 20 CHED C1CC(CON=C2CCC3(CCOCC3)CC2)C1 853439107 BGCJKZJOYWAQCB-UHFFFAOYSA-N 251.370 3.530 30 20 CHED C#CCCCCNc1nc(C(F)(F)F)ccc1C(C)=O 853445967 XULCUAYMZLGDQP-UHFFFAOYSA-N 284.281 3.518 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N(C1CC1)[C@@H](C)C#N 855582303 DRBAQGUGQINEEI-MMRAYRKESA-N 288.778 3.646 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cc(F)c(F)cc1C 860749900 WIHPQISMVIFLBS-UHFFFAOYSA-N 267.275 3.509 30 20 CHED CC(C)OCCON=Cc1ccsc1C(F)(F)F 863114270 FZBSPMUTVXUWDD-UHFFFAOYSA-N 281.299 3.542 30 20 CHED Cc1c(NN=C[C@@H]2CCC(F)(F)C2)cccc1C(=O)O 872387058 JWOYWZGDCIBTPC-SNVBAGLBSA-N 282.290 3.526 30 20 CHED CN(C(=O)C1CC2(CCC2)C1)c1ccc(C#N)c(Cl)c1 876168472 UMURXJIUUFAIGM-UHFFFAOYSA-N 288.778 3.755 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H]2CCCN2c2ccccc21 888165084 BEJRGOVQJOADBC-CQSZACIVSA-N 284.403 3.604 30 20 CHED C=C1CCC(C(=O)Nc2cc(C)cnc2Cl)CC1 890140977 CFJYHONGEXMEFL-UHFFFAOYSA-N 264.756 3.728 30 20 CHED Cc1cccc(C2=CCN(C(=O)CC(C)(C)C#N)CC2)c1C 891343805 ICBXIJYCTVYPOP-UHFFFAOYSA-N 296.414 3.859 30 20 CHED C=CC[C@H](NCc1cc(C)cc(OC)c1O)c1ccncc1 894273601 PMHGHHQIVILULN-INIZCTEOSA-N 298.386 3.511 30 20 CHED Cc1nn(C)c(/C=C2/C(=O)c3ccccc3[C@H]2C)c1Cl 901505777 GSFCFSFUMPHSMP-TVNQGELYSA-N 286.762 3.765 30 20 CHED CNc1ccc(C)cc1CNc1ccccc1O[C@H](C)C#N 902469216 ZDAPUSDKKHXJLJ-CQSZACIVSA-N 295.386 3.940 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1cccc(C#N)c1 902979188 PLTOMYGNDURYSU-KURKYZTESA-N 284.403 3.580 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccncc1)C1CC1)CC2 903428164 MWMZJBZERRGLCJ-MOPGFXCFSA-N 289.382 3.681 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc(-c2cnco2)cc1 906526399 GSKRPKVETYDXCZ-ZDUSSCGKSA-N 283.375 3.760 30 20 CHED Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCCCCC#N 914597921 OCKPKRIKDKSYBA-LBPRGKRZSA-N 295.766 3.653 30 20 CHED CC(C)[C@@H](C/N=C\c1ccc(O)c(O)c1O)c1ccccc1 915113090 NJJTWKZOPJMCJG-SMLKNPDNSA-N 299.370 3.662 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@H]1CC1(Cl)Cl 915680681 YCEVJTKINIFVGI-CQSZACIVSA-N 297.229 3.964 30 20 CHED CC(C)Oc1ccccc1C=NNc1nc2ccccc2[nH]1 915915578 DFNSYQIYRUNLQN-UHFFFAOYSA-N 294.358 3.796 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1ccc(Cl)s1 915970750 LYHUHGHSFJIEMK-UHFFFAOYSA-N 280.784 3.644 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1ccc(C)s1 917025176 RNYAIIKMKKUBCF-UHFFFAOYSA-N 270.361 3.769 30 20 CHED C[C@@H](NN=CC1=Cc2ccccc2OC1)c1ccccc1 920383894 ZTJIRGKCQGGXKL-CQSZACIVSA-N 278.355 3.799 30 20 CHED C[C@@H]1[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CCC[C@H]1C 920943100 NMLWONCHPJZJMC-BQESUSLJSA-N 276.336 3.544 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2cccnc2Cl)no1 924243413 ZKUPCAULAKWRRL-AWEZNQCLSA-N 277.755 3.563 30 20 CHED CC(C)CN(CCCC(C)(C)C#N)Cc1ccccn1 932446485 QSUICGJTWXUNIO-UHFFFAOYSA-N 273.424 3.870 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](c1ncccc1C)C(C)C 932900933 XUAYYYHKUXJEAK-ZBFHGGJFSA-N 274.408 3.806 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1nc(C2CCC2)cs1 935673174 ZXXGKLSZNXGYOM-UHFFFAOYSA-N 297.383 3.843 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ncsc1C(C)C 936020937 JBHZWEUKSADDDZ-JTQLQIEISA-N 252.383 3.807 30 20 CHED Cc1csc(COc2nc(C(C)(C)C)ccc2C#N)n1 1119340361 NNBSEHYPBLHHMR-UHFFFAOYSA-N 287.388 3.595 30 20 CHED N#Cc1cc(Sc2c(F)cc(F)cc2F)ccn1 1162221622 RPNHZVYBOVWCBI-UHFFFAOYSA-N 266.247 3.522 30 20 CHED N#Cc1cnc(NC[C@H]2CCCc3ccccc32)c(F)c1 1162555868 UKFXLTINXNYBQJ-CQSZACIVSA-N 281.334 3.624 30 20 CHED N#CCc1cccc(NCCC2CCC(F)(F)CC2)n1 1262376382 OJLOMDZJYQGQIX-UHFFFAOYSA-N 279.334 3.775 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc2ncccc2c1 1262556639 XJLLSSOJTUPXPD-GFCCVEGCSA-N 254.333 3.776 30 20 CHED CCCCN1CCCC[C@H]1CNc1cccc(F)c1C#N 1306946457 QKPCECRQFQKYJV-AWEZNQCLSA-N 289.398 3.764 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNc1nncc(N)c1Cl 1319195294 IFRQKJDBHAYGJG-JTQLQIEISA-N 295.818 3.716 30 20 CHED C=C(C)CNC(=S)Nc1c(C)cc(Cl)cc1C 1319562530 GPOCNLVLSHLRED-UHFFFAOYSA-N 268.813 3.819 30 20 CHED CN(C)[C@H]1CCCC(=NNc2ccccc2Cl)C1 1320983010 WJZHLSWPMHJZCD-LBPRGKRZSA-N 265.788 3.612 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCc2ccc(C)s2)n1 1331335997 DCOFBGCUQWFPDO-UHFFFAOYSA-N 299.399 3.593 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2cc(C#N)ccc2C)c(C)o1 1333592214 QCHCEFBOYIBAPR-GFCCVEGCSA-N 282.343 3.568 30 20 CHED CCC[C@@H](C(=O)N(C)[C@H](C)CC#N)c1ccc(Cl)cc1 1337807494 GLFHDYSTHWCJJR-IUODEOHRSA-N 292.810 3.984 30 20 CHED O=C(CC#Cc1ccccc1)OCc1csc(C2CC2)n1 1343952133 SZKCTIPACGSZCN-UHFFFAOYSA-N 297.379 3.506 30 20 CHED CC(C)c1ccccc1C(=O)O[C@H]1CC[C@@H](C#N)C1 1344687504 RPGOWJDLYYJOIO-OLZOCXBDSA-N 257.333 3.659 30 20 CHED N#CC[C@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccco1 1347949033 PLVJZXZUOZYJED-WBVHZDCISA-N 295.338 3.898 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(OCC#N)c1 1350145626 LVHUFQGUFYCTTO-AEFFLSMTSA-N 284.403 3.813 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2C[C@H]2C2CCC2)n1 1458450407 WICVDMOOUUPHQI-UONOGXRCSA-N 269.392 3.851 30 20 CHED C[C@@H]1CC[C@H](C(=O)O[C@@H]2CCC[C@@H](C#N)C2)C[C@H]1C 1460794879 GPZZGKVALZHTEP-ARILJUKYSA-N 263.381 3.684 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2C[C@]2(C)C(C)C)c1C#N 1472801070 INTAZSJWQJZCAP-TZMCWYRMSA-N 263.772 3.762 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccncc1C#N 1472883890 KJQDMZGUFPEBLM-WMLDXEAASA-N 277.371 3.726 30 20 CHED Cc1cccc(CN(CCC#N)CCC(C)C)c1F 1474339220 FXCBPPOHMNAWPA-UHFFFAOYSA-N 262.372 3.896 30 20 CHED CCC1(CC)[C@H](Nc2cccc(CC#N)c2)C[C@H]1OC 1474529107 GLXAQACHLFUPME-HZPDHXFCSA-N 272.392 3.758 30 20 CHED COc1cc(NC(=O)c2ccsc2C#N)ccc1Cl 1519816567 NJQLFWSKIUEQOS-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C#CC[C@H](C)OC(=O)c1csc(C2CCCCC2)n1 1524747516 USCDFEUKFYBJAK-NSHDSACASA-N 277.389 3.759 30 20 CHED Cc1cc(Cl)nc(C(=O)OCC2(C#N)CCCCC2)c1 1525173045 BBOKOCXCCHFDEX-UHFFFAOYSA-N 292.766 3.674 30 20 CHED Cc1c(C#N)cccc1C(=O)NCc1ccc2occc2c1 1531392369 SBJSFDYSHFEGCC-UHFFFAOYSA-N 290.322 3.543 30 20 CHED CC(C)(C)C1CCC(CNC(=O)c2ccc(C#N)cn2)CC1 1534544657 MZHOKCUTZQRFRZ-UHFFFAOYSA-N 299.418 3.536 30 20 CHED CC[C@@H](CNc1ccc(C#N)c(C)n1)c1ccccc1 1559089322 JAAKSKURPJBSGL-AWEZNQCLSA-N 265.360 3.867 30 20 CHED CCc1ccc2ccccc2c1CNc1ccc(C#N)nn1 1559275413 FKFKBSIMWNNYSG-UHFFFAOYSA-N 288.354 3.676 30 20 CHED CC1(C)CCC[C@H](CNCc2ccc(C#N)cc2)C1 1560506334 AMAKXCRUTURTLV-INIZCTEOSA-N 256.393 3.864 30 20 CHED C=C(C)c1cccc(NC(=O)N[C@@H](CCC)c2cnn[nH]2)c1 1575053451 HVTYNZZISJFNRX-AWEZNQCLSA-N 299.378 3.501 30 20 CHED CC[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1C 1585516169 LCGOBWLEPNDHTP-KBPBESRZSA-N 284.403 3.748 30 20 CHED N#Cc1ccc(CC(=O)Nc2ccccc2C(F)F)cc1 1585620107 MPPWTIYGODMNPX-UHFFFAOYSA-N 286.281 3.677 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2cccc(F)c2C(=O)O)C1 1594345153 NPIAHLHMFMPFKN-WDEREUQCSA-N 278.327 3.748 30 20 CHED CC(C)(C#N)CC(=O)Nc1c(Cl)ccc2cnccc12 1597014852 VBAMNXKZDPBPSX-UHFFFAOYSA-N 287.750 3.767 30 20 CHED N#Cc1ccc(NCc2cc(C(=O)O)ccc2Cl)cc1 1608208526 DEZNOYRSBRDTOZ-UHFFFAOYSA-N 286.718 3.522 30 20 CHED Cc1cc(N(C)Cc2c(C)cccc2C)ncc1C#N 1655899977 OCIWUTDGDQLHFB-UHFFFAOYSA-N 265.360 3.515 30 20 CHED C[C@@H](c1nccc2ccccc12)N1CCC(CC#N)CC1 1657754043 JEHKGFADRMKRMX-AWEZNQCLSA-N 279.387 3.921 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1665386203 VUMPDMRXWONQBL-BXUZGUMPSA-N 291.782 3.768 30 20 CHED O=C(/C=C\c1ccc(C(=O)O)c(F)c1)c1cccc(F)c1 1776129407 HWOIDMNUKLNNST-ALCCZGGFSA-N 288.249 3.559 30 20 CHED C=C(C)CCCN1CCCC[C@H]1c1ccc(C(=O)O)n1C 1776139212 OXLYGMASSFWDES-HNNXBMFYSA-N 290.407 3.607 30 20 CHED C=CCC1(C(=O)O)CCN([C@H](C)c2ccc(F)cc2)CC1 1776157483 PTAWBAORGGWJNJ-CYBMUJFWSA-N 291.366 3.630 30 20 CHED N#Cc1ccc(OCC(=O)c2cccs2)c(Cl)c1 7856213 CNVADARPZOSOON-UHFFFAOYSA-N 277.732 3.535 30 20 CHED CCC/C(N)=N/OCc1coc(-c2cccc(Cl)c2)n1 105605740 HFRFWEWFODVTDW-UHFFFAOYSA-N 293.754 3.584 30 20 CHED Cc1cccn2cc(CSc3ccccc3C#N)nc12 172681791 QEMGXABNKMWSEK-UHFFFAOYSA-N 279.368 3.807 30 20 CHED C#CCOc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1 108518288 LRIAUJNLJCGENJ-AWEZNQCLSA-N 294.354 3.581 30 20 CHED Cc1cc2cc(NC(=O)C3(C#N)CCCCC3)ccc2[nH]1 57430846 ZULALFMVGJRZSP-UHFFFAOYSA-N 281.359 3.889 30 20 CHED CCSCC(=O)Nc1ccccc1S[C@@H](C)CC#N 108412993 AQBSBVANXZQPHC-NSHDSACASA-N 294.445 3.772 30 20 CHED CCCCCCCCCCC(=O)N1Cc2cncnc2C1 101109719 OZNXKJGHCQLYOR-UHFFFAOYSA-N 289.423 3.850 30 20 CHED N#Cc1ccc(/C=C/c2cc(F)c(F)cc2F)nc1 178322996 UCABKYDMGPDTCZ-DUXPYHPUSA-N 260.218 3.541 30 20 CHED CCCCCCCCC(=O)NCCc1cscn1 171823928 DXAOYHVJHPMWTM-UHFFFAOYSA-N 268.426 3.552 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)o1 24265290 ALONSHDXQUXOCN-RMKNXTFCSA-N 278.311 3.670 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)[C@@H](C)CC)c1ccccc1 179107409 QCAZFFXXQRDQTJ-RRFJBIMHSA-N 259.393 3.897 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C/c1cccc(C)c1)C2 27553602 VTSXCWDWSXQWKJ-OVCLIPMQSA-N 294.350 3.835 30 20 CHED C=CCCCC(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 175720020 DYOJWFKHVUMGMA-MLGOLLRUSA-N 295.810 3.889 30 20 CHED CC[C@H](C)C[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 174594039 KDOUJUUMFDTCKL-ZNMIVQPWSA-N 274.408 3.892 30 20 CHED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccc(O)c(F)c1 170851690 YZNWWGSCHXWLTC-HNQUOIGGSA-N 296.219 3.845 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 178550691 DWMOGSNFXJNJKT-XJKSGUPXSA-N 283.375 3.663 30 20 CHED N#Cc1csc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 177692374 DIEQUEMRORITBQ-IRXDYDNUSA-N 298.411 3.630 30 20 CHED Cc1csc(CCCNc2cccc(F)c2C#N)n1 301179432 MKILZPHFDDPPKP-UHFFFAOYSA-N 275.352 3.507 30 20 CHED N#CCCCCN1CCCc2cc(OC(F)F)ccc21 171034216 HWAUMGMGBOILCM-UHFFFAOYSA-N 280.318 3.734 30 20 CHED CC(C)COCCCNc1c(Cl)cccc1C#N 301209329 SQYDDWHCAYMOGU-UHFFFAOYSA-N 266.772 3.686 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1c[nH]nc1C(C)(C)C)C2 176937258 HRHPAKNOYDNBCW-XYOKQWHBSA-N 296.370 3.538 30 20 CHED COc1ccc(C(C)(C)CNCC(C)(C)CCC#N)cc1 174352662 WJIZVMVTBWATFF-UHFFFAOYSA-N 288.435 3.892 30 20 CHED N#Cc1cccc(Cl)c1NCCc1cn2ccccc2n1 301211514 VOGQFRLENXULCF-UHFFFAOYSA-N 296.761 3.514 30 20 CHED CC(C)(C)CN(CCC#N)C[C@H](O)c1cccc(Cl)c1 173784456 SDZGMSHGKPCQBP-HNNXBMFYSA-N 294.826 3.635 30 20 CHED CC[C@@H](CC#N)NC[C@H](C)c1cccc(Br)c1 184085532 QSNJBBVNDCGBTD-FZMZJTMJSA-N 295.224 3.834 30 20 CHED CCn1c(C(=O)Nc2ccccc2C#N)cc2ccccc21 76708791 YFYOGPPSFYFJRW-UHFFFAOYSA-N 289.338 3.785 30 20 CHED N#C[C@H]1CCC[C@@H](NCC2(c3ccccc3)CCC2)C1 185771634 BUMCPONOYZZMLX-DOTOQJQBSA-N 268.404 3.780 30 20 CHED Cc1ccc(CN(CCC#N)CC2CC2)c(Cl)c1 447311968 JQJUJHGRMPKQOF-UHFFFAOYSA-N 262.784 3.774 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 285054978 JBESAMXIAVMNNM-CQSZACIVSA-N 299.201 3.892 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H](C)CC(F)F 411566648 IMRXFUWQZSHLCX-LLVKDONJSA-N 285.309 3.632 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C1=CCCCCC1 186234508 BHTFGDZRLPVDSN-UHFFFAOYSA-N 262.397 3.665 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C)c(O)c1C 503313935 DQNDXNJYGQAXEC-UHFFFAOYSA-N 259.349 3.716 30 20 CHED Cc1ccc(Cl)cc1NC(=O)N(CCC#N)CC1CC1 78460242 SLEOFBPNBNXOBU-UHFFFAOYSA-N 291.782 3.806 30 20 CHED CC(C)c1ccc(C2(CNC(=O)CC#N)CCCC2)cc1 185676259 RWIOHEYHWVBZMR-UHFFFAOYSA-N 284.403 3.652 30 20 CHED C#CCCCCNC(=O)N1CCC(C)(c2ccccc2)CC1 123328300 SWFZRPUTRCYVJJ-UHFFFAOYSA-N 298.430 3.553 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2cccc(CC#N)c2)C1 456752324 OWYNIJDRFYOBMY-AWEZNQCLSA-N 270.376 3.908 30 20 CHED Cc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)s1 214918943 LYOMGYAWJCURGZ-SREVYHEPSA-N 260.362 3.730 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C)c(C)n2)CCCC1(C)C 412293410 OCOGQIQWKGMDAC-MRXNPFEDSA-N 286.419 3.905 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(SCC)c1 71020091 LVQUSSXYHLWPNU-GFCCVEGCSA-N 279.405 3.718 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)c(O)c2C)CCC1 189407815 IMACNRVSUPXQMN-UHFFFAOYSA-N 259.349 3.694 30 20 CHED CCN(CCC#N)Cc1cccc(Cl)c1Cl 123328086 HLLNGCIRHACISA-UHFFFAOYSA-N 257.164 3.729 30 20 CHED C=CCCCNC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@@H]1C 507456346 QBIHJOVKVFNCRO-BLLLJJGKSA-N 292.810 3.841 30 20 CHED CO[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1O 121051860 FYCBEFUGHFKEHC-PPCFUKRJSA-N 288.174 3.685 30 20 CHED C=C(C)[C@@H](NCCOCC1CC1)c1ccc(F)c(F)c1 187761159 HKQVANUUFUXWNT-MRXNPFEDSA-N 281.346 3.598 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1Cc1ccccc1 121753159 GOPCCHICIBJSET-GOSISDBHSA-N 283.415 3.989 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(CCCCC#N)C1 76388753 OPILUYLYSLHOAM-CVEARBPZSA-N 256.393 3.867 30 20 CHED C=C(C)CCN1C[C@@H](c2ccccc2C)OC[C@H]1C 509679431 HSWBVLFARCPUGV-WBVHZDCISA-N 259.393 3.723 30 20 CHED N#Cc1ccc(NCc2ccc(C3CCC3)cc2)cn1 491605458 VZEQKJKTYVAVFC-UHFFFAOYSA-N 263.344 3.833 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(OC)cccc1SC 417669143 LGKQMZMYJJHWJI-UHFFFAOYSA-N 292.404 3.623 30 20 CHED C#C[C@@H](C)NC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 186103184 HWTVIFVKBNTPTI-OLZOCXBDSA-N 284.359 3.547 30 20 CHED CC1(C)Cc2c(Br)cccc2[C@H]1NCCC#N 411760635 SSDOLOBJRNOQMY-CYBMUJFWSA-N 293.208 3.576 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N(CC#N)c2ccccc2)cc1 182799537 LQOSJWGYGNRQAK-INIZCTEOSA-N 292.382 3.730 30 20 CHED C=C(C)CCc1noc(CCc2nc3ccccc3s2)n1 508646069 QQWSWIHETKIXFT-UHFFFAOYSA-N 299.399 3.973 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)CCCC#N 76732851 LJYZODKGNHKTDJ-LBPRGKRZSA-N 250.773 3.507 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccccc2OC)cc1 45016014 CWAXQPABGYADLQ-RAXLEYEMSA-N 282.339 3.990 30 20 CHED CC[C@H](CC(=O)NCC1(C#N)CCC1)c1ccc(C)cc1 416348322 TVRPKOGYTPGIAW-OAHLLOKOSA-N 284.403 3.689 30 20 CHED CCC[C@](C)(CC)C(=O)N1CCc2cc(C#N)ccc21 416012300 LBQREAZINISVDB-KRWDZBQOSA-N 270.376 3.664 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](CC)CSC)c1ccccc1 188973461 CKFIIUSXJOIBRQ-HZPDHXFCSA-N 291.460 3.994 30 20 CHED COc1ccc(C)cc1CNc1cccc(C#N)c1C 500736921 UMSWXWHDWJQZPI-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CC(C)[C@H]1N(C[C@H](C#N)CCC#N)CC12CCCCC2 414133564 BPDVMUXFRHOZFN-JKSUJKDBSA-N 273.424 3.721 30 20 CHED Cc1ccc(Cl)c2ccc(N=C(O)[C@H]3CCCO3)nc12 329223401 XZOBGBQOKDLCLM-GFCCVEGCSA-N 290.750 3.964 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)[C@@H]1CCCC[C@@H]1C 84095098 IOAIHAZKKHTOTK-WCQYABFASA-N 276.405 3.661 30 20 CHED CC(C)(CC#N)CN=c1[nH]c(-c2ccccc2F)cs1 413414706 VPOBKWHKEDMIIU-UHFFFAOYSA-N 289.379 3.723 30 20 CHED Cc1cccc(NC(=O)c2cccc(C#N)c2C)c1C 509016952 RXZDRGVRISGASI-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CC(C)(C)CC(=O)Nc1ccc(C#N)cc1Cl 225785025 LKWANPHTBPKIIV-UHFFFAOYSA-N 250.729 3.586 30 20 CHED N#CC1(CCOc2ccc3c(c2)OCCO3)CCCCC1 418814945 WKNYUDOPLLHSGN-UHFFFAOYSA-N 287.359 3.701 30 20 CHED COc1c(F)cc(NCC#Cc2ccc(F)cc2)cc1F 135562913 LZDQCSTVJCAOFX-UHFFFAOYSA-N 291.272 3.576 30 20 CHED Cc1nc2ccc(N=C(O)[C@H]3C[C@@H]3C3CCCCC3)cn2n1 328750833 CFIBROWWQSUCJI-CABCVRRESA-N 298.390 3.842 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccc(C2CCCCC2)cc1 194721301 BTQVGPDZWMXMME-ZDUSSCGKSA-N 270.376 3.766 30 20 CHED C[C@@H](/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C)C1CC1 329270296 ITUMNHBWTSYWQF-IRUJWGPZSA-N 266.385 3.523 30 20 CHED C[C@H](Cc1cccs1)Nc1cccc(F)c1C#N 88263796 PTPHPCLXOLZCGG-SNVBAGLBSA-N 260.337 3.802 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(OC)ccc2c1CCC2 191326218 DHYNSMQGUOZLHA-UHFFFAOYSA-N 288.391 3.614 30 20 CHED C=CCN(CC=C)Cc1ccccc1OCc1ccncc1 505908207 VBVUTFBMWKPASB-UHFFFAOYSA-N 294.398 3.835 30 20 CHED Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc2c1C 131205625 QOQRVXTXRBONAS-LBPRGKRZSA-N 284.359 3.880 30 20 CHED C[C@@H]1SCCN(Cc2ccccc2C(C)(C)C#N)[C@H]1C 135239478 ZDNUWOGATWEWFE-KBPBESRZSA-N 288.460 3.814 30 20 CHED C=CCN(CC=C)C(=O)CSCC1CCCCC1 195737101 DSQKBJWDFUPISO-UHFFFAOYSA-N 267.438 3.501 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccccc1OCC 45170109 ZODUAVQWADHKCQ-UHFFFAOYSA-N 297.354 3.902 30 20 CHED O/C(=N/[C@@H]1CCCCC12CCCC2)c1nccn2ccnc12 329204528 YYMJZCUCXORJOM-CYBMUJFWSA-N 298.390 3.537 30 20 CHED OC(=Nc1ccc2nncn2c1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329155565 CJVAJSWZIPXQKD-NWANDNLSSA-N 298.390 3.924 30 20 CHED CC1(C)CCC[C@H](CC(=O)NCc2ccc(C#N)s2)C1 421604741 RBFMUDIITDIQQT-GFCCVEGCSA-N 290.432 3.842 30 20 CHED C=C(Br)CN[C@H](C)[C@H]1CC2CCC1CC2 382094568 JJRFFOBVBNFRDL-IKWCTNDRSA-N 272.230 3.699 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2ccncc2)cc1 192538097 GYEMSHBXBQZBCO-VOTSOKGWSA-N 289.338 3.676 30 20 CHED C=CC[C@H](C)N[C@H](Cc1ccncc1)c1cccs1 424281291 IKURKGOYRXLLMO-DZGCQCFKSA-N 272.417 3.981 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC[C@@H]2O)cc1C(F)(F)F 86015617 HNOXHXIZCPRCFB-RISCZKNCSA-N 298.308 3.540 30 20 CHED N#CCCCOc1cccc(CNc2ccncc2F)c1 192150695 JTDPPUNRJORMKB-UHFFFAOYSA-N 285.322 3.515 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1C[C@H]1C1CCC1)c1ccccc1 424972599 VVBYIUNAYNXAPO-YESZJQIVSA-N 269.388 3.651 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(C(F)F)CC1 334662786 DILRTAAURBUEHA-NSHDSACASA-N 264.319 3.596 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)CCCC2CCCCC2)C1 424972229 UHGKQRCNRLIZKT-LSDHHAIUSA-N 262.397 3.545 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CC(F)F)c1ccccc1 420923204 WTDVVQHYENSEPY-DGCLKSJQSA-N 282.334 3.647 30 20 CHED C[C@H](SCCOCC(F)F)c1ccc(C#N)cc1 190041129 OYVKHIJONLJOSQ-JTQLQIEISA-N 271.332 3.634 30 20 CHED Cc1ccc(CCNc2c(Cl)cccc2C#N)cn1 80982015 SAHZCAIEWKSQKF-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 86248795 OHWJGTNZTMJXNN-CQSZACIVSA-N 297.402 3.714 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(C#N)cc1)CO2 141662316 VGFPPQVSGMJWPB-CXUHLZMHSA-N 289.334 3.834 30 20 CHED C=CCSCCNCc1ccc(C)c(Cl)c1 235777686 OMYDAJGEXKEPRI-UHFFFAOYSA-N 255.814 3.657 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)CCc1ccc(C#N)cc1 510538951 LSOBXZAKATVJOV-CRAIPNDOSA-N 298.430 3.823 30 20 CHED N#CC1(c2ccccc2)CC(NCCCc2ccccc2)C1 237815064 FEXAFDCQCCMFBF-UHFFFAOYSA-N 290.410 3.833 30 20 CHED C#CCCCCN[C@@H](C)c1ccc2ccccc2n1 90398158 WAGLFROWOKXELK-AWEZNQCLSA-N 252.361 3.689 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)c1ccccc1 424651052 YRVHUVJMYFZDNN-CQSZACIVSA-N 259.393 3.851 30 20 CHED CCCc1ccc(C(=O)NCC#Cc2cccc(F)c2)cc1 513227326 WWGFSOQDUTWOPY-UHFFFAOYSA-N 295.357 3.560 30 20 CHED Cc1ncc(C/N=C(/O)c2csc(C(C)(C)C)n2)s1 330432144 JZQPJQGXGVPWPZ-UHFFFAOYSA-N 295.433 3.710 30 20 CHED COc1nn(C)cc1N=C(O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 330018778 UBZFEBCIFOCEOC-FRRDWIJNSA-N 291.395 3.623 30 20 CHED Cc1nc2ccc(N=C(O)N3CC[C@H]4CCC[C@H]43)cc2o1 330231499 FBTRJJLKDCFOIM-BXUZGUMPSA-N 285.347 3.556 30 20 CHED N#CCC1CCN(Cc2nc3ccc(F)cc3s2)CC1 336137403 ROOQKXIROXGXPU-UHFFFAOYSA-N 289.379 3.561 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)OCc1ccccc1 90585122 STKPRFZJHZOQLK-AWEZNQCLSA-N 266.344 3.683 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(C)(F)F)cc1 512097342 CVYFCSZUGWFXBZ-CYBMUJFWSA-N 267.319 3.883 30 20 CHED Cc1ccccc1[C@H]1CN(CC(C)(C)CCC#N)CCO1 93478633 HHUHGUYKLZIYFM-QGZVFWFLSA-N 286.419 3.698 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 437623303 BPHGTYWSAWHRNW-YFHUEUNASA-N 293.451 3.690 30 20 CHED C[C@@H](c1ccc(F)cc1F)N(C)CC(C)(C)C#N 433304543 LHDCKLJSFAYJHN-JTQLQIEISA-N 252.308 3.507 30 20 CHED C=CCN(C)C(=O)Nc1cc(C)c(C)cc1Cl 334597948 FNLDISTWFLPMKU-UHFFFAOYSA-N 252.745 3.607 30 20 CHED C=CCC[C@@H](C)Nc1cc(NC(=O)N(C)C)ccc1C 437354106 RTQUPUOASNWAQN-CYBMUJFWSA-N 275.396 3.855 30 20 CHED CCc1ncc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)s1 520465568 AEZYCBUCJQDHKS-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2ccc(O[C@H](C)C#N)cc2)C1 245503535 IHGAFFKWBOGVNN-INMHGKMJSA-N 286.419 3.988 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1cocc1C 528654010 RNAUOGNDUACKLR-UHFFFAOYSA-N 283.331 3.534 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@H](C#N)c1ccccc1Cl 248979131 ILYUYWJBDKCUOU-TYNCELHUSA-N 290.794 3.847 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 248887936 FEIQLHVPBMRVQX-JFIYKMOQSA-N 287.403 3.625 30 20 CHED N#CCc1ccc(CNc2ccc3c(c2)C(=O)CCC3)cc1 342554207 GPFRBHNTIYWNJF-UHFFFAOYSA-N 290.366 3.884 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(C)n1 347875190 MSTJVJYJNZNENL-UHFFFAOYSA-N 280.371 3.609 30 20 CHED CSc1c(F)cccc1C(=O)NCC(C)(C)CCC#N 345893534 WBYPGEUYENINBF-UHFFFAOYSA-N 294.395 3.607 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@H](CCC#N)c1ccccc1 248570684 RVKFRBXPKQETMZ-USXIJHARSA-N 299.418 3.861 30 20 CHED N#Cc1cccc(CCNCc2coc3ccccc23)c1 341469007 AYDIOWMNCISTRM-UHFFFAOYSA-N 276.339 3.637 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCc2cc(OC)c(OC)cc21 343502087 JTTVYKGWRRWTIJ-DZGCQCFKSA-N 275.392 3.635 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2cccnc2)C1 248882113 LAKAIGKNYIYZHG-LZQZEXGQSA-N 291.398 3.843 30 20 CHED Cc1cc(CSCc2ccc(C#N)cc2Cl)no1 438864916 PELCFVJTLCKXEW-UHFFFAOYSA-N 278.764 3.942 30 20 CHED Cc1ccc(CNc2snc(C)c2C#N)c(C)c1 341731663 PRMIQOLBLPYWKO-UHFFFAOYSA-N 257.362 3.552 30 20 CHED Cc1cc(C)cc(C[C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c1 248897739 UCHXSDOOTKCJSA-JZXOWHBKSA-N 270.420 3.906 30 20 CHED N#CCc1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1 342674471 WHTFBFHQABRAEN-MRXNPFEDSA-N 297.427 3.589 30 20 CHED C=CCN1C(=O)/C(=C\c2cc(C)ccc2F)SC1=S 255004645 BSKYWGASSAWURC-XYOKQWHBSA-N 293.388 3.521 30 20 CHED CC1(C)CC(CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 527253014 WDWSCLYJLKPFLX-UHFFFAOYSA-N 284.403 3.654 30 20 CHED CC(C)(C)c1nnc(S[C@@H](C#N)Cc2ccccc2)o1 603915706 PDIXWKBDAADUEE-GFCCVEGCSA-N 287.388 3.594 30 20 CHED COc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1C#N 443042895 ZKWNLMPQYYKBKV-UHFFFAOYSA-N 283.718 3.764 30 20 CHED C[C@H](/N=C\c1c(O)ccc2ccccc12)C(=O)OC(C)(C)C 254965110 GQINAICYVZCXKR-XHEYCZLTSA-N 299.370 3.695 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(OC(C)(C)C)cc1 604901250 SILRIRKJSIPKPZ-CYBMUJFWSA-N 290.407 3.628 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cccc(Cl)c1O 255031325 UUVONMGNKMNEBB-HJWRWDBZSA-N 298.729 3.569 30 20 CHED CS[C@H](C)CCC(=O)Nc1cc(C#N)cn1C(C)(C)C 359020964 SWNLSBDZHDQMSU-LLVKDONJSA-N 293.436 3.585 30 20 CHED C=CCC1(CNC/C=C\c2ccncc2)CCCC1 449605955 OQQFYDKTFOVXGH-WAYWQWQTSA-N 256.393 3.821 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CC[C@@H](C)C2)c1 444146665 UXJMGEJIXWXEJI-OCCSQVGLSA-N 274.364 3.562 30 20 CHED C=CC(C)(C)C(=O)N1CC=C(c2ccccc2OCC)CC1 448808401 AMMTUFDVEKZQCH-UHFFFAOYSA-N 299.414 3.913 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(F)c(F)c(F)c1 353416604 OQHAMXFRBIAGOS-UHFFFAOYSA-N 284.325 3.866 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@H](C#N)C1)CCC2 352613148 UWONRWXSHWZHIL-JLJPHGGASA-N 254.377 3.654 30 20 CHED C=C(C)CN(CC)CC#Cc1ccc(OC(F)(F)F)cc1 448453902 DRXLAIOIMALBFA-UHFFFAOYSA-N 297.320 3.835 30 20 CHED CC[C@H](CNC[C@H](C)CCC#N)Oc1cccc(C)c1 602519414 DWBMVMLQVPYIIC-HZPDHXFCSA-N 274.408 3.682 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc2ccccc2n1C 531896484 DDDSIOGNUWZNLE-UHFFFAOYSA-N 297.402 3.771 30 20 CHED CC1=CCN(Cc2cccc(OCCCC#N)c2)CC1 353918181 JAABXCLKSXRTBT-UHFFFAOYSA-N 270.376 3.521 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@H]1CCCC[C@H]1C 533876721 QIKJVSHQRMSSNO-IIAWOOMASA-N 264.413 3.647 30 20 CHED N#C[C@@H]1CC[C@H](NCCCCCc2ccc(F)cc2)C1 442859396 XAAIAHHKIIQJML-WBVHZDCISA-N 274.383 3.820 30 20 CHED C[C@H](C#N)CN(C)CCCc1c(F)cccc1Cl 447742542 DBGMSERPAMVLHW-LLVKDONJSA-N 268.763 3.503 30 20 CHED Cn1c(-c2ccc(C#N)cc2F)nc2cc(Cl)ccc21 448110052 RFQRYNUCYIUSOD-UHFFFAOYSA-N 285.709 3.904 30 20 CHED Cc1cccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)c1 610316985 LMMOJOFOBRLWIB-CYBMUJFWSA-N 279.343 3.749 30 20 CHED COc1cc(C)ccc1CNC1CCC(C)(C#N)CC1 449192410 LWIOHWVTULOCSQ-UHFFFAOYSA-N 272.392 3.566 30 20 CHED CCCN(C(=O)[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 531043582 XRIXNCOZOUQYPN-CHWSQXEVSA-N 284.359 3.892 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[C@H](C)C1 444151427 UEAHHQBHNVQVKT-STQMWFEESA-N 278.421 3.634 30 20 CHED CC(C)(C#N)CCN[C@H](CN1CCCCC1)c1ccccc1 611937921 AOPZMXBRDOZJTK-GOSISDBHSA-N 299.462 3.743 30 20 CHED C[C@@H](CCC#N)CN1CCN(CC2CC2)c2ccccc21 618887577 FTCMGIMNCAHYOM-HNNXBMFYSA-N 283.419 3.663 30 20 CHED CC[C@H](C)c1noc(-c2cccc(SCC#N)c2)n1 355895236 RPEOSRUGKHHEAO-JTQLQIEISA-N 273.361 3.866 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NC1CC=CC1 610735595 GVAJOJBCRINEPQ-UHFFFAOYSA-N 271.270 3.515 30 20 CHED N#Cc1ccc(CN2CCCC[C@@H]2Cc2ccc(F)cc2)o1 536684545 KVBHXMUIWLONRC-MRXNPFEDSA-N 298.361 3.888 30 20 CHED Cc1cncc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 613512262 BZZKYACCUARDIB-KGLIPLIRSA-N 265.360 3.674 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)C1CCCCC1)OCC 535138291 UXTYHEOCQVKWRD-HNNXBMFYSA-N 267.413 3.539 30 20 CHED CCC[C@@H](NC(=O)CCc1ccc(C#N)cc1)C(C)(C)C 452656440 AHZQJQWPNKNBET-MRXNPFEDSA-N 286.419 3.822 30 20 CHED Cc1noc([C@@H](C)SCc2ccc(C#N)cc2C)n1 614394759 PCMOIYSULUTKBE-SNVBAGLBSA-N 273.361 3.553 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C(C)C)cc1 454160201 CRWRYASGMXGHQL-CVEARBPZSA-N 288.391 3.665 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(CCC(F)(F)F)c1 450074350 KZFJUUQZWVSTJB-QMTHXVAHSA-N 296.292 3.670 30 20 CHED C[C@@H](CCc1ccccc1)CN1CCC[C@@](C)(C#N)C1 612406832 VCZHBYXAADOGSQ-WMZOPIPTSA-N 270.420 3.881 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(F)cc(Cl)c1 537224286 LZXWUZPTAIEQEN-SNVBAGLBSA-N 269.747 3.954 30 20 CHED CC(C)C[C@H](C)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455984310 BXEPIMPXVBGFOI-AWEZNQCLSA-N 286.419 3.678 30 20 CHED N#Cc1cc(SCc2cccc3ccccc23)ncn1 617945076 APGIFUYBYWSBOR-UHFFFAOYSA-N 277.352 3.794 30 20 CHED COC(=O)c1ccc(F)c(CSCCC(C)(C)C#N)c1 276635918 QZGPXXSJLZFZMA-UHFFFAOYSA-N 295.379 3.785 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(F)c(NC(N)=O)c1 453241587 PPFWPOVMKXPLDU-NSHDSACASA-N 279.359 3.863 30 20 CHED C[C@H](CN=c1c(C#N)c[nH]c2ccc(Cl)cc12)C1CC1 610274417 GPFRVJPBKMSORM-SNVBAGLBSA-N 285.778 3.640 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2ccsc2C1 540490709 VWBUOWKUACEXIU-LBPRGKRZSA-N 278.421 3.561 30 20 CHED C=CCOCCN1Cc2ccccc2C[C@@H]1c1ccccc1 549464141 JRLHHXDANZBSEP-HXUWFJFHSA-N 293.410 3.989 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)C1CCCC1 458815485 XYMGCLKUVKXLHU-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=CC(C)(C)CNC(=O)C1(c2cc(C)cc(C)c2)CC1 452777476 NOQKALNHCVTXGS-UHFFFAOYSA-N 271.404 3.663 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cncc(F)c2)CCCCC1 450440245 NQEDBBBKLKJSMF-ZDUSSCGKSA-N 290.382 3.925 30 20 CHED Cc1ccnc(N2C[C@@H](C)C[C@H]2c2ccccc2F)c1C#N 541276923 CFZBPOKHSYQZPA-SJCJKPOMSA-N 295.361 3.988 30 20 CHED N#CCCCN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 363837633 PZHMVOKWHSLLES-GJZGRUSLSA-N 262.784 3.869 30 20 CHED C=CCN(C(=O)[C@H](C)CCc1cccc(F)c1)C1CC1 271601041 YMYNUEXLFDVOLB-CYBMUJFWSA-N 275.367 3.571 30 20 CHED C=CCC[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 455983637 BEKMIFXPVBMXEU-ZJPYXAASSA-N 299.414 3.768 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@H]1CCC[C@@H](C)C1 546709359 JNHYOHVGFXSSQE-OLZOCXBDSA-N 286.375 3.722 30 20 CHED C[C@H](NCCOCc1ccccc1)c1ccc(C#N)c(F)c1 271992225 ZOYVZSCMOJGXSL-AWEZNQCLSA-N 298.361 3.565 30 20 CHED C#C[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 274823871 QOVULXFZRZLENV-ZJUUUORDSA-N 299.201 3.718 30 20 CHED C=CCn1c(SC(CC)CC)nc2ccccc2c1=O 541784313 HKCKPPKZGFGCTO-UHFFFAOYSA-N 288.416 3.863 30 20 CHED CC(C)N(C/C=C/c1ccc(F)cc1F)CCC#N 543634229 OFRDVAHWQUTUKU-HWKANZROSA-N 264.319 3.602 30 20 CHED Cc1ccnc(NCCc2ccc(OC(C)C)cc2)c1C#N 544142644 BBSAUFYNWTZTPX-UHFFFAOYSA-N 295.386 3.704 30 20 CHED C=CCC[C@H](Nc1cccc(-c2nnnn2CC)c1)C1CC1 540825902 KCNVKJYDFGZKSN-INIZCTEOSA-N 297.406 3.517 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 467868307 RSYCOAILCURPRK-MEBBXXQBSA-N 278.421 3.809 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](Cc1ccccc1)C1CC1 541220038 HUAOSHJWJUEBKE-DLBZAZTESA-N 286.419 3.662 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 374238305 HFNSVJBXQKUKIK-NHYWBVRUSA-N 294.345 3.776 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(SC)cc1 620864031 NAUXFLSIYIQVGR-UHFFFAOYSA-N 263.406 3.883 30 20 CHED N#CCC1CCN(CCc2c(F)cccc2Cl)CC1 542881265 MTZVPYCYJSFKHW-UHFFFAOYSA-N 280.774 3.647 30 20 CHED CC[C@](C)(C#N)c1nc(-c2cccc(C(F)(F)F)c2)no1 284922116 BSYDINUIVOYOQE-CYBMUJFWSA-N 295.264 3.947 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC1CCC1)C(C)C 466378179 YIFSFNWNMGEKKV-CQSZACIVSA-N 252.402 3.561 30 20 CHED Cc1coc(C)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 285212153 JRKZRJDTQUZYFC-UHFFFAOYSA-N 298.342 3.808 30 20 CHED CCc1ccc(C(C)(C)CNC(=O)[C@@](C)(C#N)CC)cc1 556902781 WDSQSKLWKVKUAP-GOSISDBHSA-N 286.419 3.583 30 20 CHED CC[C@]1(C)CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462198313 YPOIRUKVKHQQDR-RDTXWAMCSA-N 284.403 3.700 30 20 CHED C=C(C)COc1cccc(NC(=O)C[C@H]2C[C@@H]2C)c1 555021777 ZIXJVRKOTHQTTP-QWHCGFSZSA-N 259.349 3.626 30 20 CHED C[C@@H]1CCN(c2ccnc(C#N)c2)CC12CCCCC2 553494380 GZZWCFSGQLCYDP-CQSZACIVSA-N 269.392 3.750 30 20 CHED C=CCOc1ccccc1-c1nc([C@@H]2CCCS2)no1 289153644 UBYYATXTHQNRTG-ZDUSSCGKSA-N 288.372 3.870 30 20 CHED COc1ccccc1[C@]1(C)C[C@@H]1Nc1ccc(C#N)cc1F 462879374 QQJIAMMPIGVYLJ-ROUUACIJSA-N 296.345 3.848 30 20 CHED C=CCCO[C@H](C)c1nc([C@@H]2CCC(F)(F)C2)no1 281347229 KHAUJDWXAGQOME-NXEZZACHSA-N 272.295 3.626 30 20 CHED C#Cc1cccc(Nc2nc(C(F)F)cs2)c1 800720560 FJLIKOACKFMTEX-UHFFFAOYSA-N 250.273 3.806 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1cc(F)ccc1Cl 801038612 GXLUYEDENZDVAH-CYBMUJFWSA-N 256.704 3.987 30 20 CHED CSC1(C=NNc2ncnc3sc(C)c(C)c23)CC1 800806975 OTVIVCFNAZMNMF-UHFFFAOYSA-N 292.433 3.601 30 20 CHED C#C[C@H](N[C@H](C)[C@@H](C)c1ccc(OC)cc1)C(C)(C)C 809781787 APOZVZHBDDWODO-CPUCHLNUSA-N 273.420 3.825 30 20 CHED Cc1noc(C)c1CN(Cc1ccc(C#N)cc1)C(C)C 299409275 ZALRAUGRBYFQBE-UHFFFAOYSA-N 283.375 3.574 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@@](C)(C#N)CSC)cc1 809137654 YLSYDOLXOXUBQN-LRDDRELGSA-N 290.432 3.575 30 20 CHED Cc1c(C(=O)OCC2(C#N)CC2)sc2cc(F)ccc12 805706806 NONDWDLYVDVOPY-UHFFFAOYSA-N 289.331 3.809 30 20 CHED CCc1cccc(Cl)c1CN1CCC(C#N)CC1 475720693 AKKLVYPJVGNWMB-UHFFFAOYSA-N 262.784 3.638 30 20 CHED CCn1c(-c2ccc(C#N)cc2)nc2ccc(C)cc21 478233150 SQSXCGCLYAXVAM-UHFFFAOYSA-N 261.328 3.903 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 294332022 KUMVMGYDKRZAEJ-JGGQBBKZSA-N 270.376 3.562 30 20 CHED C=C(C)CCc1noc(Cc2c(C)nn(C(C)C)c2C)n1 292995297 KPTRWZNLEJHAKT-UHFFFAOYSA-N 288.395 3.563 30 20 CHED CC#CCCCC(=O)N(c1ccccc1OC)C(C)C 291455327 CRKREYBHZKJRCI-UHFFFAOYSA-N 273.376 3.630 30 20 CHED Cc1oc(C(C)C)nc1C(=O)O[C@H](C#N)C1CCCCC1 802799553 FNFKZIWKQPYLBS-CYBMUJFWSA-N 290.363 3.736 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(F)cc2F)no1 560006779 XWTQPGZEFRZZTR-UHFFFAOYSA-N 287.269 3.669 30 20 CHED CN(C)c1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1 806577563 DTNQXPOPHHHKBT-XFXZXTDPSA-N 298.773 3.623 30 20 CHED C=CCSc1ccccc1C(=O)OCc1ccncc1 803447366 UIEMVSVSXDSWCO-UHFFFAOYSA-N 285.368 3.717 30 20 CHED C=CCOCCCOc1ccccc1SCC 478791881 CPRMKVGMRLOEMC-UHFFFAOYSA-N 252.379 3.770 30 20 CHED C=CCOc1ccccc1C(=O)N1CCCCC(C)(C)C1 474102283 ZNYYQVUBFVETJX-UHFFFAOYSA-N 287.403 3.904 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](c2ccccc2C)C1 472835930 POZCAWBMRMRLEE-INIZCTEOSA-N 286.419 3.850 30 20 CHED C#CC[C@H](Nc1nc(C(F)(F)F)ns1)c1ccccc1 804580127 WGEWJIBBCBPEMY-JTQLQIEISA-N 297.305 3.733 30 20 CHED C#Cc1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1 809608323 MNFWRHZVTRQVBR-SFHVURJKSA-N 295.357 3.811 30 20 CHED C[C@@H](NC[C@H]1COc2ccccc21)c1ccc(C#N)c(F)c1 290380424 RSIMXSMWCKQGSO-DOMZBBRYSA-N 296.345 3.524 30 20 CHED CC(C)c1cccc(CNc2nc3ccccn3c2C#N)c1 475739151 STAKKDVYCPPARR-UHFFFAOYSA-N 290.370 3.941 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cc(C)cc(F)c2)cc1 561863383 JQQDGWCRBRDVHV-KRWDZBQOSA-N 296.345 3.691 30 20 CHED C#C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)C(C)(C)C 807878712 ZPQSLFLDXTVWBA-KRWDZBQOSA-N 292.382 3.526 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCC[C@@H]2CCCF)c1 800974084 GEACHCLTZMBPJO-CZUORRHYSA-N 278.346 3.705 30 20 CHED C=CCC[C@H](N[C@@H]1CCNC2(CCC2)C1)c1ccco1 643548475 PZRVBTHQODJXOY-CABCVRRESA-N 274.408 3.551 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Cc1cncc2ccccc12 561634779 JPTRTVQTNQHWES-RHSMWYFYSA-N 296.414 3.884 30 20 CHED C[C@@H](c1ccc2c(c1)CCC2)[S@](=O)CCC(C)(C)C#N 563549817 FQCFSFXCWGCBRI-RNODOKPDSA-N 289.444 3.925 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(C(F)(F)F)c1C 806349021 JXSOQCDKQFINKE-LLVKDONJSA-N 298.308 3.937 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 568700150 ZTBMNPWLSNODJB-QRVBRYPASA-N 298.430 3.729 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cscc1Cl 640781483 LZTKQQSJCUVZNZ-MRVPVSSYSA-N 258.774 3.878 30 20 CHED C=C(CC)CSc1nnc(-c2cccs2)n1C 560934290 FIWNEUKWZLGECF-UHFFFAOYSA-N 265.407 3.602 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)nc1 488927135 AXZQWYXSZXUALS-LLVKDONJSA-N 299.296 3.673 30 20 CHED C=C1CCN(c2nnc(CC3CCCC3)n2C2CC2)CC1 568109200 CKJFJADEYOWVCN-UHFFFAOYSA-N 286.423 3.502 30 20 CHED CC[C@H](Cc1ccccc1)N(CC)Cc1cc(C#N)n(C)c1 483283811 JDXHQKXJULTDOK-GOSISDBHSA-N 295.430 3.740 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 480586797 WHPCKBCVFRDYCW-UKRRQHHQSA-N 281.334 3.841 30 20 CHED CC[C@@H](Cc1ccccc1-c1csc(C#N)c1)C(=O)O 565235817 IVKQKFCMGBDBQI-NSHDSACASA-N 285.368 3.940 30 20 CHED COCc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc1 811692513 BNCIJYFMYDITHG-IUXPMGMMSA-N 289.334 3.527 30 20 CHED C=CCOCCOc1cc(C(F)(F)F)ccc1Cl 570109078 LNAVYPWXBVMEMK-UHFFFAOYSA-N 280.673 3.940 30 20 CHED CC[C@H](C=NOCc1cccnc1)c1ccccc1 814882410 NZMBMNZXIATYOJ-OAHLLOKOSA-N 254.333 3.778 30 20 CHED Brc1cccc2c1CCC2=NOC1CCC1 812236855 XESNYHCGNRAFSY-UHFFFAOYSA-N 280.165 3.669 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCC[C@@H]1CC1(Cl)Cl 819076263 WWERZUAWABUGPS-WDEREUQCSA-N 299.201 3.973 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccc(Cl)nc2)CS1 814859424 UFAWUTYDZFWVDF-NSHDSACASA-N 269.801 3.664 30 20 CHED CCC[C@H](OC(=O)c1ncc(C#N)cc1C)c1ccccc1 815928891 VFIXKZPCXSVESG-INIZCTEOSA-N 294.354 3.960 30 20 CHED COCC(=NOC1CCCC1)c1cccc(Cl)c1F 814895446 XKKSZQLTKORQRU-UHFFFAOYSA-N 285.746 3.789 30 20 CHED C=CCCCCCS[C@H](C)C(=O)N[C@H](C)CC 485557074 CDPCFPLEMIAFIL-CHWSQXEVSA-N 257.443 3.769 30 20 CHED C#C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(Cl)cc1 811950082 VCDZENHCSFEIEB-LLVKDONJSA-N 294.137 3.691 30 20 CHED C#CC[C@H](NCC1Cc2ccccc2C1)c1ccccc1 811485515 OAWWFTACOCWACK-FQEVSTJZSA-N 275.395 3.756 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(C2CCCC2)cc1 810623447 BIKXXKVDWKYYPV-OAHLLOKOSA-N 257.333 3.803 30 20 CHED C=CCCCCOC(=O)[C@H]1CSc2ccccc21 811010216 NGCGKCGRGLAWDV-ZDUSSCGKSA-N 262.374 3.775 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1c(F)c(F)cc(F)c1F 819945445 WEEPKSZZGMGVPK-UHFFFAOYSA-N 276.229 3.751 30 20 CHED C[C@@]1(CCNCc2cccc(C#N)c2)CC1(Cl)Cl 824963686 DUSFGRFKJHMJNT-CYBMUJFWSA-N 283.202 3.622 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cc(COC(C)(C)C)on1 820679379 MCZCFJXHSYFHKY-UHFFFAOYSA-N 295.379 3.635 30 20 CHED Cc1ccncc1/C=C\C(=O)Nc1ccc(C#N)cc1Cl 492468073 ZAVUWVCPBDUERH-HYXAFXHYSA-N 297.745 3.567 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc(O)c(C)c2)c1 728231976 PELIJAIBRXJAJV-VQHVLOKHSA-N 282.339 3.995 30 20 CHED C=CCCNC(=O)N(C)Cc1c(Cl)cccc1Cl 661572712 XTYDDUBDKLJSAQ-UHFFFAOYSA-N 287.190 3.711 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C(=O)O)cc1Cl 825665124 VDVIKINYMMDZIA-UHFFFAOYSA-N 294.734 3.712 30 20 CHED C=CCOCC(=O)O[C@H](C)c1ccc(Cl)cc1Cl 729758447 KQAFAAYMJDQLJB-SECBINFHSA-N 289.158 3.800 30 20 CHED CC(=NNc1ccc(Cl)cc1F)C1CCOCC1 901317208 HJERZAQSORHKBO-UHFFFAOYSA-N 270.735 3.694 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(F)c3occc23)C1 905929682 RRWGNMCJACXJJL-WDEREUQCSA-N 287.290 3.811 30 20 CHED C=C[C@H](CC)Cc1nc([C@H](OCC)C(C)C)no1 904130284 LJPZGUOAMDNTQC-DGCLKSJQSA-N 252.358 3.558 30 20 CHED C[C@H]1CN(Cc2ccc(OCC#N)cc2)c2ccccc21 731211570 OISLKDGANMQXLZ-AWEZNQCLSA-N 278.355 3.713 30 20 CHED CC1(C)CC[C@@H](CSc2cccc(F)c2C#N)O1 584793252 RHKLZSUAYMCCBG-JTQLQIEISA-N 265.353 3.747 30 20 CHED Cc1ccc(/C=C/C(=O)c2cn(C(C)C)nn2)c(Cl)c1 901530744 QVQJFSYAGPSKMT-VOTSOKGWSA-N 289.766 3.717 30 20 CHED Cc1cccc(/C=C2\Cc3c(O)cccc3C2=O)c1C 731156848 NUCPGIPVXKHMTB-NTEUORMPSA-N 264.324 3.831 30 20 CHED C=C(C)CNC(=O)c1csc(-c2ccccc2Cl)n1 490024368 HDJNHNHULWKSCX-UHFFFAOYSA-N 292.791 3.769 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CC(c2cccc(Cl)c2)C1 835018581 ZJGSWQBYPVMRMH-CVRLYYSRSA-N 292.810 3.731 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(O)Cc1ccc(F)cc1 901371794 IHJNHYHNROXNNA-UKRRQHHQSA-N 279.355 3.760 30 20 CHED N#Cc1cnc(NCc2cc3c(s2)CCCC3)c(F)c1 584516434 IHXPNTPUDJSKJL-UHFFFAOYSA-N 287.363 3.645 30 20 CHED CCCCCCCCCC(=O)NC[C@@H]1CCCN(C)C1 731024622 BTMCYAATBKRYHZ-INIZCTEOSA-N 282.472 3.585 30 20 CHED C#CCOc1ccc(CNCC(C)(C)c2cccs2)cc1 734004183 SKALSUCNQXZNMO-UHFFFAOYSA-N 299.439 3.828 30 20 CHED Cc1cccc([C@@H](C)[S@@](=O)CCC(C)(C)C#N)c1 584873894 UCDOJBBYWIQVDJ-ACJLOTCBSA-N 263.406 3.745 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 581825649 FJQLNLIRKKLKJO-JLJPHGGASA-N 257.377 3.808 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)C1CCC1 838965245 STBQHOQVLFWMKF-BXKDBHETSA-N 296.292 3.713 30 20 CHED Cc1ccc([C@@H](NC(=O)C#CC(C)(C)C)C2CC2)cc1 837323638 QHVWEQZIWNBRDN-QGZVFWFLSA-N 269.388 3.612 30 20 CHED N#CC1(C(=O)OC[C@@H]2CCCCC2(F)F)CCCCC1 835643374 QMLQDFVPTGAENS-LBPRGKRZSA-N 285.334 3.829 30 20 CHED Cc1ccc2cccc(NC(=O)CCCCCC#N)c2n1 588342624 ZTYGRICVSYSSKS-UHFFFAOYSA-N 281.359 3.956 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H]1CCC[C@@H]1c1ccccc1 839319278 OURIRQJFGLRHSR-ZACQAIPSSA-N 284.403 3.625 30 20 CHED CC(C)(CNC(=O)CCCCCC#N)Cc1ccccc1 588158116 BZDIHNQQAGEJQO-UHFFFAOYSA-N 286.419 3.846 30 20 CHED CC(C)OCCON=C1CCC(OC2CCCC2)CC1 834981396 OGEFWEFPOCUHHF-UHFFFAOYSA-N 283.412 3.686 30 20 CHED CC[C@H](C)[C@@H](C)NC1CCN(Cc2cccc(C#N)c2)CC1 593701937 IBERCYHKRRHAEN-JKSUJKDBSA-N 299.462 3.547 30 20 CHED CC1(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC=CC1 594592021 XNPDZWOZDNKYFG-UHFFFAOYSA-N 294.314 3.535 30 20 CHED CCN(C(=O)c1coc2ccc(C(C)C)cc12)[C@@H](C)C#N 598363035 LXXGGUCVHFKHJQ-LBPRGKRZSA-N 284.359 3.930 30 20 CHED CCCCCCCC(=O)NCc1cccnc1OC(C)C 915702611 WQTWHSCFQHSDTM-UHFFFAOYSA-N 292.423 3.846 30 20 CHED C=CC1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 599687700 PGEIDTKQSRMSDF-UHFFFAOYSA-N 298.213 3.961 30 20 CHED C/C=C/C=C\C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 836818174 CGPDSXTTZOMWJQ-MDAAKZFYSA-N 284.359 3.806 30 20 CHED C[C@H](Cc1ccccn1)N[C@H]1CCCc2cc(C#N)ccc21 594516382 WBCCLLJFJQGZMQ-KUHUBIRLSA-N 291.398 3.551 30 20 CHED C=CCCCC(=O)NCCC(C)(C)c1ccccc1 748297718 UCBQWMNWTYVUAT-UHFFFAOYSA-N 259.393 3.827 30 20 CHED C#CCCCNc1ccnc2c(Br)cccc12 742422876 OKPYWICGDJEGCK-UHFFFAOYSA-N 289.176 3.823 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)cc1 741843046 XUPVJPGVNMOXDB-VQHVLOKHSA-N 282.339 3.743 30 20 CHED C#CCN(CC)Cc1csc(-c2ccc(Cl)cc2)n1 746457094 XESBDOABHFEYLR-UHFFFAOYSA-N 290.819 3.919 30 20 CHED N#CC1CCC(CNC(=O)Cc2cccc(C3CC3)c2)CC1 591079882 JPBXGEKHCOUNRP-UHFFFAOYSA-N 296.414 3.553 30 20 CHED CCOc1ccc(C=Nc2cccc(F)c2C)c(O)c1 745977653 ZOELVCLHLBLLJS-UHFFFAOYSA-N 273.307 3.989 30 20 CHED CCCCCCCC(=O)NC[C@H]1CC1(Cl)Cl 913879301 IMGIPAAAMCMDHM-SNVBAGLBSA-N 266.212 3.657 30 20 CHED C=C(Cl)CNc1ccc(F)cc1OC1CCOCC1 849316664 KFCVFTOQLRDUGW-UHFFFAOYSA-N 285.746 3.548 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCCCCCC(C)C 842391831 FADQDLPRQSFQTE-UHFFFAOYSA-N 274.364 3.635 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CC(C1CCC1)C1CCC1 599244011 HDBIIAXVSZPUSC-QGZVFWFLSA-N 276.424 3.647 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 593735497 XQOMTMQARPHCNM-XPTSAGLGSA-N 294.757 3.596 30 20 CHED C[C@H](C#N)OC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 745351277 HEXPYLRGVMMRIQ-CRAIPNDOSA-N 293.366 3.858 30 20 CHED N#Cc1csc(C=NNc2cccc3c2CCCC3)c1 748075439 IZVYCNMHHHNFFG-UHFFFAOYSA-N 281.384 3.945 30 20 CHED C#CC1CCN(Cc2ccc(CSC(F)F)o2)CC1 843429181 WQXQVEKMJUVZIE-UHFFFAOYSA-N 285.359 3.581 30 20 CHED C[C@@H]1CC[C@@H](C/N=C\c2cc(Cl)cc(Cl)c2O)O1 840708368 ALMTXJSWAFRNJP-WKZRUPHDSA-N 288.174 3.685 30 20 CHED Cc1cccc2c1CC[C@H]2NCCc1ccc(C#N)cc1 595058192 ZBHZGGCTVDHWJI-LJQANCHMSA-N 276.383 3.686 30 20 CHED C=CCCCC(=O)OCc1cc(Cl)ccc1OC 748236373 VHDLZQVZEJQZIY-UHFFFAOYSA-N 268.740 3.748 30 20 CHED C=CCN(C(C)C)S(=O)(=O)c1c(C)c(C)cc(C)c1C 914687330 JJSWZOGDUUWKPS-UHFFFAOYSA-N 295.448 3.505 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H](C)c2ccco2)C(C)C)c1 741555809 BNCXEKMDHVKMSY-AWEZNQCLSA-N 281.355 3.806 30 20 CHED CCC(C)(C)N(C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 591818479 GRGDUZCDAPTVTD-ZDUSSCGKSA-N 287.407 3.791 30 20 CHED Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H](CC#N)C1 595609673 NTQWQICJSLZGHS-HNNXBMFYSA-N 295.386 3.776 30 20 CHED C=CCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 595060548 VFOWJWBFFUEEAD-HNNXBMFYSA-N 260.337 3.528 30 20 CHED CC[C@@H](C)CCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 595725702 HQOJECSBOWATBI-ZIAGYGMSSA-N 287.407 3.697 30 20 CHED CC[C@H](C#N)C(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 593414105 GRVGWTUSOQKDAX-NWDGAFQWSA-N 290.794 3.942 30 20 CHED CCC(=NNc1ccc(Cl)cc1Cl)c1cnn(C)c1 741811750 BQJHEGPODSJGOK-UHFFFAOYSA-N 297.189 3.953 30 20 CHED C=C(Br)COC(=O)CC(C)(C)c1ccccc1 743077616 GRNAVVFDPBUTSI-UHFFFAOYSA-N 297.192 3.806 30 20 CHED C=CCC[C@H](C)N[C@H]1CCOc2ccc(OCC)cc21 681400301 YNOVKVJUDGNUSX-BBRMVZONSA-N 275.392 3.853 30 20 CHED C[C@H](c1ccccc1)N(C[C@H](O)CC(C)(C)C#N)C1CC1 598594273 GETRHHNZXUTMLV-RHSMWYFYSA-N 286.419 3.513 30 20 CHED C=C(C)CCc1noc([C@@H]2CCN(c3ccccc3)[C@@H]2C)n1 685384965 MQQPJPJSISHFMO-GDBMZVCRSA-N 297.402 3.961 30 20 CHED CCOc1cccc(C=Nc2cscc2C)c1O 747690375 IXSBYEAIHOWYNN-UHFFFAOYSA-N 261.346 3.911 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)/C=C/C3CCCC3)[nH]c12 842722230 MXHPAJRUTQQVTA-HBWSCVEGSA-N 293.370 3.794 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)nc(C2CC2)c1 846999247 HCOIKBPWCJGPHD-ZDUSSCGKSA-N 290.794 3.793 30 20 CHED CCC1CC(=O)C(=CNc2ccc(F)c(Cl)c2)C(=O)C1 920976079 OFAJFXMDGSHGOA-UHFFFAOYSA-N 295.741 3.733 30 20 CHED C#C[C@@H](CC)NC(=O)c1cnc(-c2ccc(C)cc2C)s1 754394242 VJFZIGKGTJACQZ-ZDUSSCGKSA-N 298.411 3.569 30 20 CHED C=CCc1ccccc1OC(=O)c1ccc(C#N)s1 750683549 UMTPEXMNFXFNFI-UHFFFAOYSA-N 269.325 3.567 30 20 CHED CCCC(=Nn1cnnc1)c1ccc(Cl)cc1Cl 755462955 FROJABWXEYKXOD-UHFFFAOYSA-N 283.162 3.637 30 20 CHED COc1ccc(NN=Cc2c[nH]nc2-c2ccccc2)cc1 755803130 YSWNKKQUTRWBFU-UHFFFAOYSA-N 292.342 3.531 30 20 CHED C[C@@H]1CCCCN1N=C1CCC[C@@H](c2cccnc2)C1 853381902 OIFACFZAJCTBEL-HUUCEWRRSA-N 271.408 3.970 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H](C)CC(C)(C)C#N)CC2 925373157 CJGNVAAPZPIZEW-XJKSGUPXSA-N 256.393 3.900 30 20 CHED O=C(O)c1cc(NN=C2CCCC23CC3)ccc1Cl 853258653 XVGRANUHHGFTOK-UHFFFAOYSA-N 278.739 3.770 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1ccccn1 755074008 AMQAJDOZHOKMEM-UHFFFAOYSA-N 277.412 3.584 30 20 CHED Cc1ccc(NN=C2CCCc3c(Cl)cccc32)nn1 758110250 JVXUOVDBPPLFIV-UHFFFAOYSA-N 286.766 3.591 30 20 CHED CC(C)c1cccc(COC(=O)C2(C#N)CCC2)c1 853899485 MYDPFSFMRDILLS-UHFFFAOYSA-N 257.333 3.547 30 20 CHED CC[C@@H](/N=C\c1cccc(OC)c1O)c1c(C)noc1C 756848206 YDPPCQHTKIHAGB-ZLYHGVDXSA-N 288.347 3.576 30 20 CHED C=C(Br)CN1CC[C@@H](c2ccccc2)[C@@H]1C 751777067 RQQCAZQUUDHSKK-GXTWGEPZSA-N 280.209 3.773 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H]2CCc3ccccc32)o1 755674748 SCGWMONYTGQJFD-ZDUSSCGKSA-N 294.358 3.797 30 20 CHED N#Cc1ccc(O)c(NC(=O)CC2CCCCCC2)c1 750246045 IXLGQCWITMVIOX-UHFFFAOYSA-N 272.348 3.563 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C1\CC[C@H](C)C1 753596922 OZXIPIXMXRRPPR-AOHITCTBSA-N 285.362 3.534 30 20 CHED Cc1ccc(O)c([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 756626330 NUCCADPYEZWILB-KBPBESRZSA-N 280.371 3.984 30 20 CHED CCCn1nccc1/C=C1/Cc2cc(C)cc(C)c2C1=O 853010451 BXYBJAATLOKOMG-PTNGSMBKSA-N 280.371 3.732 30 20 CHED CCCCCC(C)=NNc1ccc(C(=O)O)cc1OC 756901127 LERBQQNRNXIYHY-UHFFFAOYSA-N 278.352 3.762 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 933854931 NOFYENOOHYNHDG-LSDHHAIUSA-N 292.382 3.848 30 20 CHED CC(C)(C)Sc1ccc(Nc2cc(C#N)ncn2)cc1 764818258 SEDUTLDGTNPZGG-UHFFFAOYSA-N 284.388 3.982 30 20 CHED C#C[C@H](CC)OC(=O)C1c2ccccc2Oc2ccccc21 768044596 RSUXFYHVDDIQRC-CYBMUJFWSA-N 292.334 3.879 30 20 CHED CC(Cc1ccncc1)=NNc1cc(F)c(F)cc1F 767783120 UFGDKPGUCFOXIB-UHFFFAOYSA-N 279.265 3.529 30 20 CHED C=CCNC(=S)N1CCC[C@H]1CCCc1ccccc1 767690997 KTXOJKMEXBUNND-MRXNPFEDSA-N 288.460 3.534 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](CC)c1nc(C)cs1 932053988 NOJDCLKJTDRBMB-RYUDHWBXSA-N 266.410 3.621 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1cc2occc2s1 765629748 DTEBDMQXDQZXQX-NSHDSACASA-N 263.318 3.589 30 20 CHED C=C[C@H](CC)CC(=O)NCc1coc(-c2ccccc2)n1 933471289 JPXOGSZJBFGKJC-CYBMUJFWSA-N 284.359 3.560 30 20 CHED C#CCC1(C(=O)Nc2cc(O)ccc2C)CCCCC1 862962905 BAIHXMMFRIDDCU-UHFFFAOYSA-N 271.360 3.613 30 20 CHED C#C[C@H](C)N(C)Cc1csc(Nc2ccccc2C)n1 769960674 GFTGRGGIJKGUQO-ZDUSSCGKSA-N 285.416 3.649 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1SCC#N 860028785 UYRWRISIKNDEFO-JSGCOSHPSA-N 288.416 3.611 30 20 CHED C=C[C@H](C)ON=C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 863123343 FVMXYCLULJPAFJ-XJKSGUPXSA-N 296.411 3.601 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccc(Cl)cc1C 768758702 CQWCRMQFXQQZFY-HNNXBMFYSA-N 263.189 3.650 30 20 CHED CCCN(Cc1ccc(N(C)CCC#N)cc1)CC(C)C 768480126 YQIXARLLRGEPDI-UHFFFAOYSA-N 287.451 3.904 30 20 CHED Cn1c(-c2ccc(C3(C#N)CCC3)s2)cnc1Cl 863979228 DFWDDKDZTBZJFG-UHFFFAOYSA-N 277.780 3.747 30 20 CHED CCCC(CCc1ccccc1)=NNc1ncc(F)cn1 760266279 SQKRNQAAHMJXPU-UHFFFAOYSA-N 286.354 3.817 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cccnc2N(C)C)cc1C 1117352063 YJSYBTAPCLHLBW-CMDGGOBGSA-N 294.398 3.969 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](c2cccc(F)c2)C1 878739684 DAZFIMGFROSFMD-CQSZACIVSA-N 275.367 3.744 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1C[C@H]2CC=CC[C@H]2C1 879529995 IQYXCHIGRHZXNV-RRQGHBQHSA-N 252.361 3.517 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)CCCC=C)cc1 776254982 RRWOKSDZSBPRFQ-INIZCTEOSA-N 271.404 3.923 30 20 CHED O=C(CC#Cc1ccccc1)N[C@H](c1ccccc1)C1CC1 1116266851 RHAATWGIPUORJJ-HXUWFJFHSA-N 289.378 3.696 30 20 CHED CC(C)Cn1ccc2c(C(=O)OC(C)(C)C#N)cccc21 774147591 MSNWRPDCPJTBPE-UHFFFAOYSA-N 284.359 3.756 30 20 CHED C=C(Cl)CNC(=O)N(CC)C[C@@H](CC)c1ccccc1 773309524 WLIGDULTFOXLNT-CQSZACIVSA-N 294.826 3.964 30 20 CHED O=C(/C=C/c1cccc(F)c1)OCC#Cc1ccc(F)cc1 771312166 SHTKJYSJTINYSM-DHZHZOJOSA-N 298.288 3.573 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 879467816 KGKZMOPTGDUQBD-DZGCQCFKSA-N 272.392 3.593 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cccc(C)c1Cl)OCC 774655449 VWRBKSGDLMKHNG-ZDUSSCGKSA-N 282.767 3.925 30 20 CHED CS(=O)(=O)c1cccc(NN=C2CCCCCCC2)c1 776260435 FANDFWWDWJJPIR-UHFFFAOYSA-N 294.420 3.602 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc2ccccc2o1 776353722 GENFPISAMBJCPJ-UHFFFAOYSA-N 257.289 3.529 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@H]2c2cccc(Cl)c2)n1 1119285302 VHIOFIZOUDWHBV-HNNXBMFYSA-N 298.777 3.652 30 20 CHED C#CCCCCCC(=O)N1CCOC2(CCCCCC2)C1 779985724 XZTUAXCHXWYFOG-UHFFFAOYSA-N 291.435 3.522 30 20 CHED CC(=NN=c1cc[nH]cc1)c1cc(F)c(Cl)cc1Cl 779809099 LJMACXCTQQTZOC-UHFFFAOYSA-N 298.148 3.786 30 20 CHED CCc1cccc(C)c1NC(=O)Cc1ccccc1CC#N 776727413 DZBREXGDPZJWQN-UHFFFAOYSA-N 292.382 3.805 30 20 CHED C[C@H](C#N)CNN=Cc1ccc(-c2cccs2)cc1F 771108219 RTNCHDZXNSGQNI-LLVKDONJSA-N 287.363 3.637 30 20 CHED C#CCCCCCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 779902096 BHCYNOBKYYMDBD-PKOBYXMFSA-N 299.414 3.607 30 20 CHED COc1ccc(/C=C/C(=O)c2sccc2O)cc1C 773151185 VYXRMJUGPNPVGK-HWKANZROSA-N 274.341 3.667 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)[C@H]1CCCOC1 780118474 PCVXHLSCVMBONM-GJZGRUSLSA-N 269.429 3.668 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)[C@]1(C)CC=CCC1 1122967024 BNFQLQRSDGOSDG-CRAIPNDOSA-N 283.371 3.501 30 20 CHED CC(C)c1cccc(C(=O)NCc2ccc(C#N)cc2)c1 1126401268 IAVRZWMYCSEQFF-UHFFFAOYSA-N 278.355 3.612 30 20 CHED CC(C)Oc1ccc(NCCCCCF)cc1C#N 789673547 UTZDXUZMLCIUPT-UHFFFAOYSA-N 264.344 3.897 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1nc(C2CC2)cs1 781179065 GNRZNJIJLTXQAQ-JTQLQIEISA-N 265.378 3.981 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2CCCCS2)c(OC)c1 783347094 GTADXGDNFKAXAW-HNNXBMFYSA-N 292.400 3.615 30 20 CHED C=CCCC[C@H](NCC1([S@@](C)=O)CC1)c1ccccc1 883220533 LDAWFPBELJRJSV-OXJNMPFZSA-N 291.460 3.585 30 20 CHED O=C(O)c1csc(/C=C2\CCc3sccc3C2=O)c1 782199194 CUIZPIQNGDTVHV-VMPITWQZSA-N 290.365 3.720 30 20 CHED O=C(/C=C\c1sccc1Cl)c1cncs1 782324620 FPBHIMPFOHDEIU-UPHRSURJSA-N 255.751 3.754 30 20 CHED Fc1cc(NN=C(CC(F)(F)F)c2ccccc2)ccn1 781132298 BYRARUUTUXICCB-UHFFFAOYSA-N 297.255 3.989 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc(Cl)cc1Cl 890997111 HNCFLVPQORJABT-UHFFFAOYSA-N 273.163 3.929 30 20 CHED Cn1ncc(Cl)c1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 780187922 YPUDPTTWLLUMPW-KAQJVSAMSA-N 298.773 3.773 30 20 CHED C[C@@H]1CC(C(=O)OCCCC(C)(C)C#N)C[C@@H](C)C1 784612131 GBHJDRCAONBHKN-STQMWFEESA-N 265.397 3.932 30 20 CHED Cc1nn(C(C)C)c(C)c1CN(CCC#N)CCC(C)C 891937955 WLXPWNMXLOQUJI-UHFFFAOYSA-N 290.455 3.843 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](C(=O)OC)[C@H]1C 787512391 JQEWZUBDEOWYBX-HUUCEWRRSA-N 297.439 3.537 30 20 CHED C=C1CN(C(=O)C(C)(C)c2cccc3ccccc23)C1 898703039 BBIJQHNWFJDWQL-UHFFFAOYSA-N 265.356 3.516 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNc1nc(C)cc(C)n1 797398407 SACLNBKSYOEWQG-MFKMUULPSA-N 260.385 3.708 30 20 CHED Cc1ncoc1-c1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 896702802 QHCMMFDJOTWDLM-IUODEOHRSA-N 267.332 3.754 30 20 CHED C=CCCCCC[C@H](C)NCc1c(C)nn(C)c1C 793523336 DMAVYLLUNOLXCU-ZDUSSCGKSA-N 263.429 3.652 30 20 CHED CC#CCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 794499034 VXOMMZZAJWWZCN-UHFFFAOYSA-N 274.103 3.694 30 20 CHED C#CCCCCNC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 792604736 YMWTVDWXRKAKAA-CVEARBPZSA-N 283.415 3.896 30 20 CHED CCc1ccc(C(C)=NOCc2ccccc2OC)o1 799117470 LZZRFCOQHRYTIO-UHFFFAOYSA-N 273.332 3.791 30 20 CHED C#C[C@H](/N=C/c1c(O)ccc2ccccc12)C(C)C 798343971 VRNGMGNFKIPOOF-GYKGCMEESA-N 251.329 3.622 30 20 CHED C[C@@]1(C=NNCc2ccccc2Cl)CCCS1 792986368 MJFHOFOHBZQMJS-ZDUSSCGKSA-N 268.813 3.701 30 20 CHED CCOCc1cc(C=NOC[C@H](C)CC)ccc1OC 793158430 FWRFQWAGVVQBRC-CYBMUJFWSA-N 279.380 3.628 30 20 CHED CCC(CC)COC(=O)CSCc1ccc(C#N)cc1 798891964 ZKBIAONWRBEUPE-UHFFFAOYSA-N 291.416 3.771 30 20 CHED CSc1ccccc1NC(=O)c1ccc(C)c(C#N)c1 799292852 CFUGOGZWYMVJQW-UHFFFAOYSA-N 282.368 3.841 30 20 CHED O=C(/C=C\c1ccnn1-c1ccc(F)cc1)c1ccco1 794940819 CUVVTHGZZJGVPC-FPLPWBNLSA-N 282.274 3.501 30 20 CHED C=C[C@@H](OC(=O)Cc1cc2ccccc2nc1O)C(C)(C)C 798907385 XPUJGSSAMDTWBT-OAHLLOKOSA-N 299.370 3.627 30 20 CHED S=C(NN=C1CCC12CCC2)Nc1cccc(Cl)c1 799869078 HZQSHONOMTZEAG-UHFFFAOYSA-N 293.823 3.947 30 20 CHED CSc1cccc(COC(=O)C2(C#N)CCCCC2)c1 797031654 QBCVAIWFBFGFKN-UHFFFAOYSA-N 289.400 3.926 30 20 CHED N#Cc1ccc(OCc2cccc3ncccc23)cc1F 1307302855 HJBPDLKFUDFRBU-UHFFFAOYSA-N 278.286 3.825 30 20 CHED CCSc1ccc([C@@H](C)Nc2cc(C#N)nc(C)n2)cc1 1306962249 OBOIXDKFFXGQRE-LLVKDONJSA-N 298.415 3.942 30 20 CHED CCC(=O)c1ccc(OCc2ccc(C#N)s2)cc1 1164579147 KFMBUJUWYLGXBP-UHFFFAOYSA-N 271.341 3.791 30 20 CHED CCCCCCCCOC(=O)c1ccc(C#N)c(C)n1 1317952975 ZRKMSHBOVQAXQY-UHFFFAOYSA-N 274.364 3.779 30 20 CHED CCc1ccc([C@@H]2CCN(c3cccc(CC#N)n3)C2)cc1 1324884881 QCYAJYPMTXCSLH-QGZVFWFLSA-N 291.398 3.704 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 1326738318 BVDPEJWVRSREFO-FZMZJTMJSA-N 276.767 3.553 30 20 CHED CC[C@H](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C 1328428547 AIJSONMOACJUJE-CYBMUJFWSA-N 269.348 3.833 30 20 CHED C=CCC[C@H](NCc1ccc(Br)o1)C1CC1 188737141 FUPHDALLFBQYAP-LBPRGKRZSA-N 284.197 3.877 30 20 CHED CC(C)(C)OCCCOC(=O)CC1(C#N)CCCCC1 1327565250 JBBIRELLXHMURX-UHFFFAOYSA-N 281.396 3.599 30 20 CHED C=CCCOCCNCc1ccc(C2CCC2)cc1 559282314 LTHPCCYCSRROPW-UHFFFAOYSA-N 259.393 3.636 30 20 CHED COc1cccc(COc2ccc(C#N)c(Cl)c2)c1 61851397 XLTOARGSWGSFCW-UHFFFAOYSA-N 273.719 3.799 30 20 CHED COCc1csc(CNc2cccc(CC#N)c2)c1 594957098 NIBGVFJIGMSUBJ-UHFFFAOYSA-N 272.373 3.573 30 20 CHED COCc1ccccc1CNc1cc(Cl)ccc1C#N 62785332 VMBHPWDZQCPNOW-UHFFFAOYSA-N 286.762 3.970 30 20 CHED N#Cc1cc(NC(=O)CC(C2CC2)C2CC2)c(F)cc1F 1331671593 WTYWPJVMTSJOHF-UHFFFAOYSA-N 290.313 3.601 30 20 CHED Cc1cc(CN2CCC3(CCCC3)C2)ccc1C#N 774886105 LJPMHLDNUMJCPJ-UHFFFAOYSA-N 254.377 3.633 30 20 CHED N#Cc1cccc(NCc2cc(Cl)ccc2[N+](=O)[O-])c1 93632493 WJLVUUYYXWEJIM-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C[C@H](CCC#N)CNc1cccc(CN2CCCC2)c1 1330574134 QBYYYHIJFKOVEI-OAHLLOKOSA-N 271.408 3.634 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(c2cccc(C#N)c2)C2CCC2)C1 1331452773 JOKAYQXXSDDSAX-HIFRSBDPSA-N 282.387 3.880 30 20 CHED C=C(C)CCC(=O)NC1(c2cccc(OC)c2)CCC1 1338961432 TUKLUIVARUTJTB-UHFFFAOYSA-N 273.376 3.547 30 20 CHED CC(C)c1oc(-c2ccccc2)nc1C(=O)O[C@H](C)CC#N 1263290422 PNMBZKWXADGIOF-GFCCVEGCSA-N 298.342 3.924 30 20 CHED C=C[C@H](C(=O)N(C)C1CCC(F)(F)CC1)c1ccccc1 1346984171 MYBULMCANQZQBF-HNNXBMFYSA-N 293.357 3.993 30 20 CHED CCCCSCCC(=O)O[C@H](CC#N)c1ccco1 1345982284 PSWGFWAFCAYSHD-CYBMUJFWSA-N 281.377 3.701 30 20 CHED CC[C@@](C)(C#N)c1nnc(-c2cccc(Cl)c2)o1 1261572474 OGDHMYSLCMORDV-ZDUSSCGKSA-N 261.712 3.581 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 1346145406 ASVMBGYSFFHDFD-HNNXBMFYSA-N 297.402 3.633 30 20 CHED C=CCn1cnnc1SCc1cccc(OCCC)c1 1347840523 YMKSMEUUGQHWGL-UHFFFAOYSA-N 289.404 3.545 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)C1CCCC1)c1ccc(Cl)cc1 1350857221 GWSSWCLXEOQJKY-ABAIWWIYSA-N 290.794 3.642 30 20 CHED N#Cc1ccc(/C=C2/CCc3ccccc3C2=O)cc1 103259 MENDGUCJODVXAP-WJDWOHSUSA-N 259.308 3.771 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccoc1C1CC1 1514858226 DKZTZZVWGGSRBE-ZDUSSCGKSA-N 259.349 3.728 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)O[C@H](CC#N)c1ccco1 1526992092 JDSRULYOUUNPGP-MRXNPFEDSA-N 296.326 3.672 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)O[C@@H](CC#N)c1ccco1 1526992091 JDSRULYOUUNPGP-INIZCTEOSA-N 296.326 3.672 30 20 CHED C=CCC[C@@H](CCC)NCCc1ccccc1C(=O)O 1602857255 ORIWMBUKHMPLLZ-OAHLLOKOSA-N 275.392 3.652 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@@H]1Nc1ccnc(C#N)n1 1472752420 KCCPPQYSKWFCIG-RDTXWAMCSA-N 292.386 3.720 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCc1cccc(C#N)c1)C2 105930909 SVXBKGAKCAAVBV-JZXOWHBKSA-N 268.404 3.863 30 20 CHED CCC[C@H](CC)C(=O)N(CCC#N)c1ccc(F)cc1 1615362413 WZMAVRAWWUZOFA-ZDUSSCGKSA-N 276.355 3.899 30 20 CHED CCC1(C)CN(c2c(C#N)cnc3c(Cl)cccc23)C1 1559196029 DPULPCPJBYQOFP-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CCN(CCOc1ccccc1C)CCC(C)(C)C#N 1559927562 WZTPDCGFRIMKSM-UHFFFAOYSA-N 274.408 3.636 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1N[C@H](C)c1ccccc1 1568983263 CJQSVKRAYIIRAU-UONOGXRCSA-N 293.370 3.958 30 20 CHED C[C@@H]1CCC[C@@H](N(C)CCc2ccc(C#N)cc2)C1 1644434404 OODAIWULANTTJG-RHSMWYFYSA-N 256.393 3.611 30 20 CHED COC(=O)[C@@H](CC(C)(C)C)Sc1cccc(F)c1C#N 1641162874 KUTNIIYLBHUKIF-CYBMUJFWSA-N 295.379 3.767 30 20 CHED N#Cc1ccc(Br)c(OCCC2CCC2)c1 1644150790 PPCYIDLOFJWMNB-UHFFFAOYSA-N 280.165 3.890 30 20 CHED CCOC(=O)[C@@H](Sc1ccc(C#N)c(C)c1)C(C)(C)C 1641226258 UFRYFFRUSOWMSM-CQSZACIVSA-N 291.416 3.937 30 20 CHED C=C(C)C[C@@H](Nc1cc(C(C)C)nc(C(C)C)n1)C(=O)O 1573324611 VUGFCCNKEWICQB-CYBMUJFWSA-N 291.395 3.555 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 1583670911 JSLNOXYZKDVMCH-HOTGVXAUSA-N 284.403 3.811 30 20 CHED Cc1cc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1C#N 1659194769 WBXJQMUIPKDAEE-WBAXXEDZSA-N 268.404 3.877 30 20 CHED N#Cc1c(F)cccc1NCc1ccnc(C(F)(F)F)c1 1651077947 SHUPEBGGLVYYDG-UHFFFAOYSA-N 295.239 3.723 30 20 CHED COc1ccc(NC(=O)c2ccccc2SC)cc1C#N 1597518884 NKSOLIPAYBHLLE-UHFFFAOYSA-N 298.367 3.541 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CC1 1667628445 JMFNXDPSBJISEJ-BXUZGUMPSA-N 289.354 3.788 30 20 CHED 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3.607 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)nc(Cl)c1 398123301 HKLQETOAVHNUCC-VIFPVBQESA-N 287.190 3.863 30 20 CHED N#Cc1ccnc(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 587991580 WNXCJWTZTGLCLI-RYUDHWBXSA-N 283.297 3.734 30 20 CHED C[C@H]1CCCC[C@H]1NC(=S)NN=C1CCCCCC1 7994263 ULTPJUZAYMUCRJ-GXTWGEPZSA-N 281.469 3.739 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)c(F)c1 54802015 FYUXRYAENFJSDC-QHHAFSJGSA-N 298.313 3.665 30 20 CHED CN(Cc1ccccc1Cl)C(=O)c1sccc1C#N 52028548 XPFAUGCOMXDCGS-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C=CCCCC(=O)N1CCC(c2cccc(OC)c2)CC1 175487359 WIPCXPFFSFUNTQ-UHFFFAOYSA-N 287.403 3.758 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC1CCCCC1 106421999 MISHCUKZRHAHOC-UHFFFAOYSA-N 264.413 3.936 30 20 CHED N#Cc1csc(C(=O)OC[C@@H]2CCc3ccccc32)c1 176481274 RZPQFTOPQZOVRL-ZDUSSCGKSA-N 283.352 3.507 30 20 CHED C=CCn1c(S[C@H]2C=CCCC2)nnc1-c1cccnc1 171792371 DPYONIZELYEFBB-AWEZNQCLSA-N 298.415 3.727 30 20 CHED O=C(Nc1cccc(C#Cc2cccs2)c1)C1CCC1 22528490 PAMINLFNQIYDAF-UHFFFAOYSA-N 281.380 3.887 30 20 CHED 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292.342 3.503 30 20 CHED COc1ccc(CNc2cc(C#N)c3ccccc3n2)cc1 315852283 OEDWWAOJELMRSQ-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CC[C@@H](CC#N)NCc1cnc(-c2ccc(C)cc2)s1 184096532 VESDMGKATMTLFJ-AWEZNQCLSA-N 285.416 3.900 30 20 CHED C#CCCCCC(=O)Nc1cc(F)ccc1NC(C)C 180316741 JFBPLPDXUMWBJD-UHFFFAOYSA-N 276.355 3.778 30 20 CHED Cc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)cc1F 76084827 NAXZDPRSFDAFCT-UHFFFAOYSA-N 297.333 3.522 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1ccc(F)cc1 410142746 ZOCZTACHBNQLLN-IUODEOHRSA-N 263.356 3.790 30 20 CHED C=CC[C@H](C)NC(=O)C1(Cc2cccc(F)c2)CCC1 185947300 YFPZASVUBGNYBO-ZDUSSCGKSA-N 275.367 3.619 30 20 CHED CCC[C@H](CC(C)C)C(=O)N[C@](C)(C#N)C(C)(C)C 410670803 FQXJWKUIIPAHQD-CZUORRHYSA-N 266.429 3.893 30 20 CHED C=CCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 182134566 CXIIJXHCKOBSMU-UHFFFAOYSA-N 261.199 3.569 30 20 CHED C#CCCCCC(=O)N(CC(F)(F)F)C1CCCC1 182805122 YSKFRLBWFZTZOU-UHFFFAOYSA-N 275.314 3.514 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C=C(C)C)cc1 131484277 OBKIVNYRTITKSF-BBRMVZONSA-N 298.386 3.814 30 20 CHED C=C(C)CCNC(=O)c1[nH]c2c(Cl)cccc2c1C 412383015 NHYQTCJRKUOHBY-UHFFFAOYSA-N 276.767 3.826 30 20 CHED CCC1(CC)CCN(c2nccc(C)c2C#N)CC1 135077227 FNZREVFWMLUPTC-UHFFFAOYSA-N 257.381 3.668 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1ccc(F)c(F)c1 195434952 AQSJIHFXFZTODD-MNOVXSKESA-N 252.308 3.507 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(C(C)C)cc1 80161932 NEGXQOLMOXOURJ-UHFFFAOYSA-N 259.353 3.577 30 20 CHED O/C(=N/C1CCCCCC1)c1coc(C2CCOCC2)n1 329914429 PEGHMMZOPSCVHJ-UHFFFAOYSA-N 292.379 3.596 30 20 CHED CCC[C@H](N/C(O)=N/Cc1ncoc1C)C1CCCCC1 329097446 CGKAQNPVZIPCGO-AWEZNQCLSA-N 293.411 3.736 30 20 CHED CCC[C@H](C)c1cc(NC(=O)c2ccc(CC#N)cc2)[nH]n1 89505355 PEQBUFVGVCROOL-LBPRGKRZSA-N 296.374 3.632 30 20 CHED CC1=C(/C(O)=N/[C@]2(C#N)CCc3ccccc3C2)CCC1 329921814 FYFSRWKTUQZWTF-GOSISDBHSA-N 280.371 3.895 30 20 CHED N#Cc1sc(N2CC[C@@H](c3ccccc3)C2)nc1Cl 286106006 FOOZPSOHYXZYRU-LLVKDONJSA-N 289.791 3.662 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)C1 328903448 HXFZIYQWRKNPIZ-RVMXOQNASA-N 298.452 3.762 30 20 CHED CCCCCCCC(=O)N(C)[C@H](C)c1ccccn1 194728737 IXSKJHKWQGDCSX-CQSZACIVSA-N 262.397 3.962 30 20 CHED Cc1c(C(=O)OCCCC#N)sc2cccc(F)c12 194483614 NHJIAMKDCBBIET-UHFFFAOYSA-N 277.320 3.809 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)c1ccccc1 192164814 AVVXUDTVPDPDJW-KBPBESRZSA-N 282.362 3.979 30 20 CHED C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 193902202 RVEJBTQZRLCTRW-QWHCGFSZSA-N 295.342 3.878 30 20 CHED CCC[C@H](C(=O)Nc1ccc(C#N)c(C#N)c1C)C(C)C 421562832 WCCHNEWOPBTYEP-AWEZNQCLSA-N 283.375 3.749 30 20 CHED C=C(CC)CN[C@@H](Cc1ccncc1)c1cccs1 424329515 GQKOOUXIZWXFMH-HNNXBMFYSA-N 272.417 3.983 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)cc1C 191210344 WXUSPCACIMJIES-CMDGGOBGSA-N 283.375 3.546 30 20 CHED N#Cc1cccc(CN2CC[C@H]2c2cccc(F)c2)c1 610505798 XEECTGUXBALBID-KRWDZBQOSA-N 266.319 3.644 30 20 CHED N#CCCNCc1ccc(-c2cccc(F)c2)s1 425998808 LRHQEIMRUAUGED-UHFFFAOYSA-N 260.337 3.557 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CCc2cscn2)cc1 195268175 SCVLOKVGVUTPFZ-UHFFFAOYSA-N 299.399 3.516 30 20 CHED CCN(C(=O)NCC(C)(C)CCC#N)C1CCCCC1 513117139 BDMWEEDCYNRLGO-UHFFFAOYSA-N 279.428 3.681 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(F)c1 98068765 YSGHFUPKLPBQOZ-RUDMXATFSA-N 274.266 3.870 30 20 CHED COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1SC 424319063 DKEJWDHFDPPTEX-SGMGOOAPSA-N 290.432 3.760 30 20 CHED CC(C)(CNC(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 425490672 MWUDTLAKTQIHAH-DZGCQCFKSA-N 291.439 3.584 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)Cc1cccc(F)c1)OCC 339434609 VKORQASYTQGBGC-MRXNPFEDSA-N 293.382 3.546 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 424887681 VJFGMOBNWPUUGB-GFCCVEGCSA-N 289.375 3.504 30 20 CHED Cc1cc([C@@H](C#N)C(=O)c2cc(Cl)ccc2C)nc(C)n1 338070634 PDBKQMUZLXTZSR-CQSZACIVSA-N 299.761 3.545 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 335844730 SNZJFVGGTLPZHP-UGSOOPFHSA-N 277.371 3.681 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccncc2)cc1 338653247 VVVRFDURASEIBK-UHFFFAOYSA-N 268.316 3.779 30 20 CHED Cc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 93872217 YKONFSFUFNIDLN-ZWKOTPCHSA-N 280.371 3.860 30 20 CHED C=CCN(CCC#N)Cc1cccc(SCC)c1 430111697 TZOGAMUQXRSHRY-UHFFFAOYSA-N 260.406 3.700 30 20 CHED CCCCc1ccc(NC(=O)NCC2(CC#N)CC2)cc1 431112891 QRDJEZUZDNDRJP-UHFFFAOYSA-N 285.391 3.845 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(C#N)ccc1Cl 349203827 VBKFRMMOQYRUJC-XHDPSFHLSA-N 290.794 3.862 30 20 CHED C=CCCC[C@H](C)N1CCC(c2ccnn2CC)CC1 434795376 MXRQDYPMVUJQFZ-HNNXBMFYSA-N 275.440 3.827 30 20 CHED Cc1ccc(CCN(Cc2ccco2)CC2(C#N)CC2)cc1 343321936 OVQIPQMRMSKFEK-UHFFFAOYSA-N 294.398 3.937 30 20 CHED Cc1ccc([C@H]2CCCN2CC2(CC#N)CC2)cc1 602759071 OSVVWVYHYQVKIE-MRXNPFEDSA-N 254.377 3.826 30 20 CHED C=CCC1(C(=O)NCc2cccc3cc[nH]c23)CCC1 347394025 VSOPFMZTUNXGMY-UHFFFAOYSA-N 268.360 3.531 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 345833626 PXOHMOFRJBCRJF-CHWSQXEVSA-N 287.407 3.880 30 20 CHED CC[C@@H](C)CSCCCC1(C#N)CCOCC1 347774173 IVDXXZQFXNEGRX-CYBMUJFWSA-N 255.427 3.866 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1cncs1)C2=O 255227292 VFIMPVKCEKJLAC-FYTLYHSASA-N 255.342 3.835 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 345771392 GKCFZKYEIPCBKQ-WMLDXEAASA-N 284.403 3.974 30 20 CHED N#Cc1cc(F)cc(OCC(=O)CCC2CCCC2)c1 340776248 DVJUSDCZWPMYRV-UHFFFAOYSA-N 275.323 3.616 30 20 CHED C=CCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 608802603 IFIBIFPYKWFAAD-SNVBAGLBSA-N 274.389 3.649 30 20 CHED CCc1ccc(C=NOCc2cc(C#N)ccc2OC)cc1 255312617 SMROJSLAXAFBFW-UHFFFAOYSA-N 294.354 3.680 30 20 CHED C=CCCN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 346857671 XKVAOSMXRBHUOZ-ZDUSSCGKSA-N 296.414 3.941 30 20 CHED C=C[C@H](CC(=O)N(C)c1ccc(C#N)cc1)c1ccccc1 340416418 MXRWWZIJXIMKGJ-MRXNPFEDSA-N 290.366 3.881 30 20 CHED CCON=Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 254463917 UGMUETRRXCEQMX-UHFFFAOYSA-N 299.330 3.733 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 538410291 LYUWUZLEMISQAC-GHMZBOCLSA-N 286.297 3.610 30 20 CHED C[C@H](c1cc(Cl)ccc1Cl)n1cc(CCC#N)nn1 603245547 VRVFUHXMYYIDIP-SECBINFHSA-N 295.173 3.650 30 20 CHED CC(C)(C#N)CCCN1CCC2(CCSCC2)CC1 602946082 IULGKEGVJKNHHY-UHFFFAOYSA-N 280.481 3.926 30 20 CHED C[C@H](CCC#N)CNc1ccccc1N1CCCC1 602492710 PDGNJKOIMWDJHJ-CQSZACIVSA-N 257.381 3.639 30 20 CHED CC[C@H](C#N)OC(=O)/C=C(/C)c1cccc(Cl)c1 254943996 KHTLFKXBTOLKMS-PGJNLMOESA-N 263.724 3.589 30 20 CHED CC[C@@H](C)CCC(=O)Nc1nc(C)c(SCC#N)s1 351814832 UUIZWFXAUGPWEN-SECBINFHSA-N 297.449 3.832 30 20 CHED C=CCC[C@H](CCC)Nc1cnn([C@@H]2CCOC2)c1C 449532264 ICBNBHQHGZUKJY-LSDHHAIUSA-N 277.412 3.700 30 20 CHED N#CC[C@H](CC(=O)N1CC[C@@H](CC2CC2)C1)c1ccccc1 359693390 HHEBFVZKBDNFKM-FUHWJXTLSA-N 296.414 3.723 30 20 CHED C=C(C)CN(C)C(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 355717693 XHDQFNSEBOVIMZ-UHFFFAOYSA-N 299.370 3.521 30 20 CHED Cc1nc2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2s1 442856032 QUOWLBHGCHVVFA-GHMZBOCLSA-N 257.362 3.709 30 20 CHED C=C(CNC(=O)Nc1cc(C)cc(C)n1)c1ccccc1 350626343 NAOYTNWPCLAMEC-UHFFFAOYSA-N 281.359 3.533 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1scnc1C1CC1 618742434 YQIMGQXOPGYXEX-HNNXBMFYSA-N 295.411 3.669 30 20 CHED C=CCCOCCCCC(=O)Nc1cncc2ccccc12 537208822 YFRATDWIORXFLB-UHFFFAOYSA-N 298.386 3.936 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C2CC2)c(C)c1 355900093 RWLQJTCAGAGNLS-CYBMUJFWSA-N 273.376 3.792 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 357794068 NRRFUMDBPDMDEX-ZIAGYGMSSA-N 293.370 3.958 30 20 CHED C=CCC1(C(=O)NCc2ccccc2OCC)CCCC1 449798061 OQRVRPFORXLPEQ-UHFFFAOYSA-N 287.403 3.838 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(C)(C)C1 358872830 IEZQQXKWMMSGKW-CYBMUJFWSA-N 286.375 3.722 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 612294258 BQUXVXDTLWFIPZ-CQSZACIVSA-N 295.745 3.637 30 20 CHED C=CCC[C@H](NC(=O)[C@H](C)OCC(C)C)c1ccccc1 532939896 OXGAUUVUWCCJIV-RDJZCZTQSA-N 289.419 3.871 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1OCC=C 539432620 DFRSUXQGWNSMNN-CQSZACIVSA-N 273.376 3.726 30 20 CHED C=CCCCNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 614211061 YPBSHNXMIMSEEM-SJORKVTESA-N 271.404 3.728 30 20 CHED N#Cc1cccc(C2(c3nc(-c4cccs4)no3)CC2)c1 532497423 FNFKCXXALNQWQY-UHFFFAOYSA-N 293.351 3.750 30 20 CHED CC(C)n1ncc2c1[C@@H](NCC(C)(C)CCC#N)CCC2 364027177 DNWITSYNKMPLFV-HNNXBMFYSA-N 288.439 3.761 30 20 CHED CN(c1ccccc1)c1ccc(CNCC2(C#N)CC2)cc1 619535234 ZLSHWAFQMOGCGP-UHFFFAOYSA-N 291.398 3.848 30 20 CHED C=CCC[C@H](NCC1(OC)CCCC1)c1ccco1 453218006 FZFNQNRCABLWQC-AWEZNQCLSA-N 263.381 3.836 30 20 CHED C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)s1 612239834 ZQHVCGZENLWFGD-HZMBPMFUSA-N 296.823 3.657 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 454330136 UUVBAENUZHPMJT-CQSZACIVSA-N 290.407 3.800 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCCCC12CCCC2 360545586 LTNWFCGAGWVDGO-OAHLLOKOSA-N 286.375 3.693 30 20 CHED C[C@@H](NC(=O)NCCCC1CCCC1)c1cccc(C#N)c1 610347455 WXJZUNZJCUGPOY-CQSZACIVSA-N 299.418 3.889 30 20 CHED Cc1occc1CN(C)c1nc(C(C)(C)C)ccc1C#N 613415925 KGAOJVMVQUHLJK-UHFFFAOYSA-N 283.375 3.789 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)[C@@H]1CCC[C@@H](C)C1 456995319 HLIJPHSGODXCDW-GRYCIOLGSA-N 276.405 3.564 30 20 CHED Cc1cc(C#N)ccc1CN1Cc2ccccc2OC[C@H]1C 614407274 LKWVYANDJQCTMK-OAHLLOKOSA-N 292.382 3.650 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 270981362 DASFAYVKZDAPRQ-GWCFXTLKSA-N 278.783 3.703 30 20 CHED C=C(CC)CNC(=O)c1ccc(C)c(Cl)c1Cl 456864339 ZVEZABQXKFTUPG-UHFFFAOYSA-N 272.175 3.998 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)Nc1nccc(C#N)n1 450334362 ZQLFRKAFAITZGW-MRXNPFEDSA-N 280.375 3.856 30 20 CHED C[C@H](C#N)CNCc1csc(-c2ccc(Cl)cc2)n1 543624605 WESNSIBIDLHFRT-SNVBAGLBSA-N 291.807 3.713 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(OC)c2ccccc12 540397678 RNEUEFFHDCWIEM-CABCVRRESA-N 299.414 3.684 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(CC#N)cc1 454336938 AJUWVUOXNCEPKJ-DYVFJYSZSA-N 285.391 3.843 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccn2)cc1 362680143 PRDAFQRBDNPUMR-GFCCVEGCSA-N 283.331 3.570 30 20 CHED C=C(C)CNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 456009274 FFELJUTXMBYQSO-SNVBAGLBSA-N 271.282 3.658 30 20 CHED N#Cc1ccnc(N2CCCC[C@H]2c2cccc(Cl)c2)n1 450484659 LYZYZKKUJPLNJK-HNNXBMFYSA-N 298.777 3.733 30 20 CHED CC(C)(C#N)CCN1CC[C@@H](c2ccccc2F)C1 271998964 GWVIAJLGFYBKEF-CYBMUJFWSA-N 260.356 3.555 30 20 CHED C=CCCCC(=O)Nc1n[nH]c(-c2cc3ccccc3o2)n1 362244967 OYYWGSHCRNQCIK-UHFFFAOYSA-N 296.330 3.513 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N(C)C1CCC(C(C)(C)C)CC1 459973323 LXRUNKSHJJCVJH-VWLISTAJSA-N 276.424 3.599 30 20 CHED C=CCCC1(C(=O)Nc2ccccc2C(C)=O)CC1 361454554 SBHUNNDBNIVJMW-UHFFFAOYSA-N 257.333 3.574 30 20 CHED C#CCCCN(CCc1ccccc1)Cc1cccnc1 277146715 VDGXQQJODFGUDG-UHFFFAOYSA-N 278.399 3.540 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@H](C)C1CC1)c1ccccc1 270305888 XTEHLEVMSJLCRR-KGLIPLIRSA-N 257.377 3.603 30 20 CHED C=CCN(C(=O)c1ccc2c(c1)CCCC2=O)C(C)(C)C 622945392 CAIPEHZEVVTEQI-UHFFFAOYSA-N 285.387 3.632 30 20 CHED Cc1ccc(-c2cc(CN3CCC(CC#N)CC3)on2)cc1 543809973 UBFAZNMJJLPGEJ-UHFFFAOYSA-N 295.386 3.776 30 20 CHED Fc1ccc(C#CCN[C@H](c2cccs2)C2CC2)cc1 541580733 AAZILNCRXLJEDX-KRWDZBQOSA-N 285.387 3.980 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1c1cccc(C#N)n1 541207037 FXYXKFFGOPSCNI-HOCLYGCPSA-N 277.371 3.726 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1cccc(Cl)c1 274383632 ZATABFFMZZBKHC-BZNIZROVSA-N 292.810 3.888 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(CC(C)C)C(C)C 460543966 CSVAJTLQAGOGGH-UHFFFAOYSA-N 278.444 3.848 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2c(Cl)cccc2s1 289504503 ULABAMVQUMLHKN-ZDUSSCGKSA-N 293.779 3.828 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C#N)oc1C 280844071 XPQZYJMRFWXOPS-KRWDZBQOSA-N 294.354 3.745 30 20 CHED Cc1cc(C)cc(CNC2(c3cccc(C#N)c3)CC2)c1 556408004 SSXYPLYUJRWTPP-UHFFFAOYSA-N 276.383 3.954 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC(F)(F)c1ccccc1 462231554 XGZWIGIEAZHZRV-AWEZNQCLSA-N 294.345 3.529 30 20 CHED CCCC[C@@H](NC(=O)NCc1ccc(C#N)cc1)C1CCC1 464820688 FJJLNNLBNJWQEV-QGZVFWFLSA-N 299.418 3.716 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 464758088 QFDSTIZWHCWCDI-BXUZGUMPSA-N 278.783 3.761 30 20 CHED CC#CCSc1nc(-c2ccccc2)ccc1C#N 463260458 QILPBKKXHUWYAL-UHFFFAOYSA-N 264.353 3.736 30 20 CHED Cc1ccccc1[C@H]1C[C@H](N=c2[nH]ccc(C#N)c2Cl)C1 553226403 MTZOCRKIWMIVDO-HDJSIYSDSA-N 297.789 3.695 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)Cc1ccccc1 468018361 QKSTUTOXFIWFHU-GOSISDBHSA-N 273.420 3.974 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC(C#N)CC2)c1 285358249 ZRPPAYWANOPXPA-OAHLLOKOSA-N 298.430 3.751 30 20 CHED C[C@@H]1CCN(c2nc(Cl)c(C#N)s2)CC12CCC2 286121032 FGCBTTXYVQMEOC-SECBINFHSA-N 281.812 3.685 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cc(C)ccn2)cc1 286378211 AMLBHNIUCBURIM-HNNXBMFYSA-N 282.387 3.806 30 20 CHED N#Cc1ccc(OCCSCCCCCF)cc1 551004146 JVJMYMKBMBSHFB-UHFFFAOYSA-N 267.369 3.810 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C 466729526 VINXYWBBBHKWSE-UXLLHSPISA-N 286.419 3.929 30 20 CHED O=C1/C(=C/c2cccc(F)c2)C[C@H](C(=O)O)c2ccccc21 806559507 BOOLMAZGQVIWDU-RCLKMUNOSA-N 296.297 3.664 30 20 CHED C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(F)c1 297774408 PZWBUEYAINOOLI-YVEFUNNKSA-N 287.334 3.904 30 20 CHED C#C[C@H](N[C@H]1CCC[C@H](c2cccnc2)C1)C(C)(C)C 809782194 JXHIOTILTFDYAU-XIRDDKMYSA-N 270.420 3.745 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1CC[C@H](C)C1)c1ccccc1 478109474 KBZYSEKEDAAPGJ-HRCADAONSA-N 271.404 3.899 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCCOc2cc(F)ccc21 293476416 MTXCMCBGYYGCAS-AWEZNQCLSA-N 291.366 3.758 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc(CC#N)c1 295766631 KGZSUWZHODDXRH-GOSISDBHSA-N 284.403 3.793 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(=Cc3cccc(F)c3)CC2)C1 563350597 PGJFYEJEFYINHR-FUHWJXTLSA-N 284.378 3.997 30 20 CHED N#Cc1ccc(CNCc2cc(C3CC3)ccc2F)cc1 295109207 LKAYTGIRSXYJGY-UHFFFAOYSA-N 280.346 3.865 30 20 CHED C[C@@H](C#N)OCCN[C@H](CC1CCCC1)c1ccccc1 801938900 KCYKDWWSHVXBKA-MAUKXSAKSA-N 286.419 3.826 30 20 CHED C=CCCCC(=O)Nc1nc2ccccc2n1CCC 479504426 SWUKAUVTXUFDCZ-UHFFFAOYSA-N 271.364 3.741 30 20 CHED C=CC[C@H](CC)N[C@H]1CCc2c1cccc2[N+](=O)[O-] 568236639 QQXUKDHVLRNZBW-FZMZJTMJSA-N 260.337 3.526 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 470133256 AIWWEYKZRKGSDG-ZLDLUXBVSA-N 290.794 3.847 30 20 CHED C#CCCCCC(=O)Nc1cc(C)n(C2CCCCC2)n1 290989153 WXNOEVKIFSGXPX-UHFFFAOYSA-N 287.407 3.829 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1c1ncccc1C#N 563745234 CPAWZOKTDOSIJJ-JSGCOSHPSA-N 257.381 3.604 30 20 CHED N#CC1(CCOc2ccccc2-n2cncn2)CCCCC1 569947487 MCQJKRVMVPWTNC-UHFFFAOYSA-N 296.374 3.510 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1CC 474090910 UYCTYPFXBXSUPF-HUUCEWRRSA-N 266.429 3.953 30 20 CHED C=C1CCN(c2nnc(C3CCCC3)n2C(C)C)CC1 563862358 AZCOQGNWDZRKMF-UHFFFAOYSA-N 274.412 3.673 30 20 CHED C=CCn1c(Cc2ccccc2C)nnc1N(CC)C(C)C 565802950 KXTOICSYCITNHB-UHFFFAOYSA-N 298.434 3.598 30 20 CHED CC[C@@](C)(C#N)C(=O)OC[C@@H](OC)c1ccc(Cl)cc1 803786560 INUHBVMLTOLECY-HIFRSBDPSA-N 295.766 3.511 30 20 CHED Cc1cccc(CCCOc2ccc(C#N)cc2)c1 563744426 LPTNLCIUDIOEHP-UHFFFAOYSA-N 251.329 3.878 30 20 CHED N#CCCCC(=O)OCCCSCc1ccccc1 812618498 SGMXCTIFKCCTBQ-UHFFFAOYSA-N 277.389 3.547 30 20 CHED C=CCC[C@@H](C)Nc1cc(F)c(N2CCOCC2)cc1F 560570474 QCCHZIJXDSIJQU-GFCCVEGCSA-N 296.361 3.568 30 20 CHED C=C(CNC(=O)Nc1cccc(C)c1F)c1ccccc1 480699150 FCHDNMQNYXHSGI-UHFFFAOYSA-N 284.334 3.969 30 20 CHED COc1cccc(CC(=NOC2CCC2)C2CC2)c1 812236668 QQCPUYJIUHVRCT-UHFFFAOYSA-N 259.349 3.573 30 20 CHED C=CCCCCOC(=O)[C@H](C)Oc1cccc(C(C)=O)c1 811011410 VZPCBMLWFRFBOR-AWEZNQCLSA-N 290.359 3.556 30 20 CHED C#CCON=C(C)c1ccc2ccccc2c1OC(F)F 814936492 VMKXJGCUTFAIIT-UHFFFAOYSA-N 289.281 3.815 30 20 CHED Cc1[nH]c(=N[C@@H](C)c2cc3cccc(F)c3o2)ccc1C#N 487736576 DLGCHHOAXPKTGL-NSHDSACASA-N 295.317 3.742 30 20 CHED N#CCCC1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)CC1 567616015 PSSLRDFZERBICO-SFHVURJKSA-N 296.414 3.723 30 20 CHED C[C@@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)C1CC1 813215519 HQTNGHTWBRYICT-CABZTGNLSA-N 296.292 3.713 30 20 CHED C=C[C@H]1CCCCN1c1nnc(Cc2ccccc2)s1 486495901 HKNFXQJYNVDSEY-AWEZNQCLSA-N 285.416 3.674 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ncc(CCC)s1 488560970 LJHSGSAPAJABQE-NSHDSACASA-N 279.409 3.668 30 20 CHED CCC1(CC)CN(C(=O)c2ccccc2SCC#N)C1 818119938 STYQRCOXABYWRM-UHFFFAOYSA-N 288.416 3.564 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1cc(F)c(F)c(F)c1)C2 811696644 VIBSJCDYDCABBR-BASWHVEKSA-N 299.251 3.798 30 20 CHED CC(C)(C)c1ncc(C=NNc2cccc(Cl)c2)cn1 814693184 AJHQNJJGDDILPW-UHFFFAOYSA-N 288.782 3.874 30 20 CHED CC#CCN(C)C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 579156012 UCBCRUYXUKDSFQ-AWEZNQCLSA-N 297.320 3.681 30 20 CHED CCCC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccccn1 814823085 QKZBVGJTYCAMRH-UHFFFAOYSA-N 298.346 3.915 30 20 CHED N#C[C@H](C(=O)CC1CCCC1)c1cc(C(F)(F)F)ccn1 813221190 OPPSPLWYYURURA-LBPRGKRZSA-N 296.292 3.857 30 20 CHED CCCC(=NNc1cc(C)nc(C)n1)c1ccc(OC)cc1 814807275 NXVGGGJGVJPZTP-UHFFFAOYSA-N 298.390 3.718 30 20 CHED CCCc1nc(C)c(CNc2c(F)cc(C#N)cc2F)o1 488761471 GPUWYTBWXMQNJB-UHFFFAOYSA-N 291.301 3.698 30 20 CHED CCCN(CCC)CCCN[C@H]1CCc2ccc(C#N)cc21 577029413 QOOJJKMGQAPBLS-IBGZPJMESA-N 299.462 3.647 30 20 CHED C(=NNc1ncnc2sccc12)c1ccc2[nH]ccc2c1 811635552 BQKKMXZEFMAYPC-UHFFFAOYSA-N 293.355 3.619 30 20 CHED C=CCCCC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 574594430 TUFCBVLPZFQHLW-KRWDZBQOSA-N 271.404 3.921 30 20 CHED Clc1ccnc(NN=Cc2cccc3cc[nH]c23)c1 814897974 HUXKRJVUGRAIRB-UHFFFAOYSA-N 270.723 3.662 30 20 CHED C[C@@H]1SCCC1=NNc1ccc([N+](=O)[O-])cc1Cl 814833085 WXSWSYBJHKEFJM-ZETCQYMHSA-N 285.756 3.542 30 20 CHED CC(C)[C@H]1N(C(=O)C[C@H](CC#N)c2ccccc2)CC1(C)C 480442342 CUMBVLNTKWVMCB-FUHWJXTLSA-N 298.430 3.967 30 20 CHED CC[C@@H](O)CNN=Cc1c2ccccc2cc2ccccc12 811655516 PLMATEAMZFIOTP-MRXNPFEDSA-N 292.382 3.687 30 20 CHED CC(=NNc1ccc(C)nn1)c1oc2ccccc2c1C 729935767 PBVPEVFBTMZXDB-UHFFFAOYSA-N 280.331 3.676 30 20 CHED N#Cc1ccnc(SCc2cccc(OC(F)F)c2)c1 496519570 SJMQAHITEGVIPX-UHFFFAOYSA-N 292.310 3.847 30 20 CHED CC1(c2ccccc2)CC(=NNCc2ccccc2)C1 729637077 ULJQBKUIBRTKLJ-UHFFFAOYSA-N 264.372 3.884 30 20 CHED C=CCN(Cc1cnc(OC)c(Cl)c1)C(C)(C)C 661760471 VCYBDNPGXANBNJ-UHFFFAOYSA-N 268.788 3.530 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2cc(C)ccc21 494410935 MFYZZMQDGYMEOE-DOTOQJQBSA-N 284.403 3.732 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(OC)cccc1SC 822966815 GMXDMUVXYZLXPJ-NSHDSACASA-N 279.405 3.958 30 20 CHED N#CC1(CCCCOC(=O)c2ccc3c[nH]nc3c2)CCC1 908838893 HDKJJBGJYRFMGH-UHFFFAOYSA-N 297.358 3.584 30 20 CHED N#CC1(CCCCOC(=O)c2cccc(C=O)c2)CCC1 909068404 GXQGCGQZHLRFNK-UHFFFAOYSA-N 285.343 3.520 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)C1 494380043 ZZWCZMMDWOWBOY-HUUCEWRRSA-N 278.440 3.991 30 20 CHED C=CCCNC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 661569180 HQCYRVWYJFIKBR-CVEARBPZSA-N 272.392 3.588 30 20 CHED C=CC[C@@H](C)N[C@@H](C(=O)O)c1cccc(Cl)c1Cl 833371325 SDCMCWPOYWGWTK-PRHODGIISA-N 288.174 3.673 30 20 CHED C=CC(C)(C)C(=O)OCc1coc(-c2cccc(F)c2)n1 837863226 CRHRBTCDNJTDPZ-UHFFFAOYSA-N 289.306 3.736 30 20 CHED C=CC[C@H](NC(=O)C[C@@H](C)CCC)c1ccncc1 734455695 KQKBCHWMOBEWAV-ZFWWWQNUSA-N 260.381 3.641 30 20 CHED CCCCC(COC)=NNc1nccc2sccc12 737430336 POSTUBWURUYEPZ-UHFFFAOYSA-N 277.393 3.901 30 20 CHED C[C@H](CC(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 839047258 DOZAKUUFFLTDPO-IOASZLSFSA-N 289.350 3.945 30 20 CHED C#CCC1(C(=O)N2CC[C@@H](C3CCC3)C2)CCCCC1 839949894 VGAMBMOXWUJNIZ-MRXNPFEDSA-N 273.420 3.609 30 20 CHED O=C(/C=C\c1sccc1Br)c1ccncc1 588467727 MOISUVZASDHLOW-UPHRSURJSA-N 294.173 3.802 30 20 CHED C=C(Cl)COC(=O)c1ccc(-c2ccccc2)[nH]1 732389897 PYSMEARRTBSHFF-UHFFFAOYSA-N 261.708 3.591 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2c3ccccc3NC2(C)C)n1 905675333 WDJODNXOTATJTM-MRXNPFEDSA-N 278.359 3.619 30 20 CHED Cc1ccc(C(C)(C)C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 839048819 GPYYZNXYEZISAC-HOCLYGCPSA-N 285.387 3.898 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cc(C(C)(C)C)on1 837657849 KTFMPCSXYPWIDZ-HNNXBMFYSA-N 265.353 3.618 30 20 CHED C/C(=C/C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 839048469 MTSODXAPARKQNY-YYKIQEHNSA-N 269.344 3.715 30 20 CHED C#CCOc1cccc(OC(=O)CC2CCCCC2)c1 730498828 YFYCJPQYRJPXMA-UHFFFAOYSA-N 272.344 3.574 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cc(C)ccc2C)cc1 589078487 PRICGNVOOXTUNS-GOSISDBHSA-N 292.382 3.861 30 20 CHED CCn1ccnc1C(C)=NNc1cccc2c1CCCC2 834942929 RYMGXXQOLWLVDR-UHFFFAOYSA-N 282.391 3.618 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CC12CCOCC2 836868002 CJHGHKSQUBFEJL-OAHLLOKOSA-N 281.440 3.812 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@](C)(C#N)C(C)C 599245907 WDFCFDBQTWFPCB-GOSISDBHSA-N 296.370 3.923 30 20 CHED CCc1c(C(=O)N(C2CC2)[C@@H](C)C#N)oc2ccccc12 598134724 KYSHBQHOMWWLEN-NSHDSACASA-N 282.343 3.512 30 20 CHED CC[C@H](C#N)C(=O)NCc1ccc(C2CCCCC2)cc1 593725551 PMLPIJRXJHQPBS-OAHLLOKOSA-N 284.403 3.900 30 20 CHED C=C(Cl)CN1CC[C@@H](CSc2ccccc2)C1 743860144 RXFGNLSMHKWXHF-CYBMUJFWSA-N 267.825 3.853 30 20 CHED CCCCOc1ccc(C=NNc2cc(C)nc(C)n2)cc1 915970624 JYASVTZGYASPQD-UHFFFAOYSA-N 298.390 3.718 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(C)c(OC)cc1C 834890644 FUURDZQTYQBKKF-OIISXLGYSA-N 289.419 3.696 30 20 CHED CSc1c(F)cccc1NC(=O)NCC(C)(C)CC#N 596972624 CRUXWUMCDYVZEI-UHFFFAOYSA-N 295.383 3.609 30 20 CHED N#C[C@@H](c1ccccc1)N1CCSC2(CCC2)CC1 595534525 IADXMUWXTFDJHG-HNNXBMFYSA-N 272.417 3.613 30 20 CHED C=C[C@](C)(CC)COC(=O)c1ccc(C(F)F)nc1 847692215 YUBTYMJQPHXRRO-CQSZACIVSA-N 269.291 3.778 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 675933356 CIJFKPRDCZXKKU-KGLIPLIRSA-N 289.423 3.785 30 20 CHED C#CCCCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 918498498 PYQBSBCLCYATAU-UHFFFAOYSA-N 281.355 3.617 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCc2ccccc21 915921117 NUTSAHNQWAROOA-UHFFFAOYSA-N 295.411 3.632 30 20 CHED N#CCCCCNC(=O)N[C@@H](C1CCCCC1)C1CCC1 591928443 OVUMCRSPYJNUEQ-INIZCTEOSA-N 291.439 3.728 30 20 CHED Cc1ccc2ccnc(N3CCC[C@@](C)(C#N)C3)c2c1 591930635 PRESBSMYZIGYDN-KRWDZBQOSA-N 265.360 3.673 30 20 CHED CCCN1C(=O)c2ccccc2NC12CCC(C)(C#N)CC2 591242824 XJRSXCBSRXWTQT-UHFFFAOYSA-N 297.402 3.764 30 20 CHED CCCCCCCCC(=O)NCc1csc(N(C)C)n1 746868298 QKLGLVOQUVSNGH-UHFFFAOYSA-N 297.468 3.576 30 20 CHED Cc1cc2occ(C(=O)N(C3CC3)[C@@H](C)C#N)c2cc1C 598137694 MLIISNVXELKRED-LBPRGKRZSA-N 282.343 3.566 30 20 CHED C=C(C)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 679405668 JBPQOURSDSVLGY-UHFFFAOYSA-N 273.376 3.736 30 20 CHED Cc1ccc(C=NNc2ncccc2Cl)s1 917549376 NEOJISAWKCBEKM-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 844475077 TXLHLYAIALKNLY-APIJFGDWSA-N 296.370 3.518 30 20 CHED Clc1ccc(NN=C[C@H]2CC2(Cl)Cl)cc1 853255168 VCCNNYIHMUOKNN-SSDOTTSWSA-N 263.555 3.932 30 20 CHED N#CC1(c2ccc(-c3cncc(F)c3)s2)CCC1 844226351 DYZBDCUCCJVGQH-UHFFFAOYSA-N 258.321 3.894 30 20 CHED CO[C@H](C/N=C\c1cc(Cl)ccc1O)CC(C)C 841482691 UOAXYGOEIRJWOH-TUTDSIAXSA-N 269.772 3.526 30 20 CHED C[C@]1(C=NNc2ccc(F)cn2)C[C@@H]1c1ccccc1 841623661 OLQTYEXBMCWMAK-GDBMZVCRSA-N 269.323 3.812 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 591064058 ZMUCYKOBZRKWKN-JCQOCUOUSA-N 296.414 3.603 30 20 CHED CCc1c(C(C)=NNc2cnccn2)oc2ccccc12 912961342 HAAVGMISSKOCOE-UHFFFAOYSA-N 280.331 3.621 30 20 CHED CCCC[C@@H](NC(=O)[C@@H](C#N)CC)c1ccc(OC)cc1 593451571 LRZXVXVZMQOXHF-CZUORRHYSA-N 288.391 3.592 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cc(C#N)cs1 748438771 FUDLCDGJGXENRL-SREVYHEPSA-N 253.326 3.824 30 20 CHED CCc1nnc(CSc2ccc(C#N)c(C)c2)s1 592355574 ZMAHPQAASKWNDN-UHFFFAOYSA-N 275.402 3.573 30 20 CHED C=CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 596426750 DBXKEUZJCIONCP-CYBMUJFWSA-N 288.347 3.590 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(O)cc1C 748085503 UQJXFUQGIFLIOP-UHFFFAOYSA-N 283.327 3.518 30 20 CHED C#Cc1ccc(C(=O)O[C@@H]2CCCCc3ccccc32)cn1 747441252 ZTTNDCYUWUWHIL-GOSISDBHSA-N 291.350 3.687 30 20 CHED C=C(C)CN(C)C(=O)c1cc2cc(C)ccc2s1 685817765 PFGGOCZDYJKIDC-UHFFFAOYSA-N 259.374 3.858 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)CCCC3)n(C)n1 841486668 DRQJXNFJIQLUQS-KTKRTIGZSA-N 280.371 3.503 30 20 CHED C[C@@H]1O[C@H](C)C[C@@H]1C/N=C\c1c(O)ccc2ccccc12 840712803 MEFITFGWQZRWDX-VAKVPFLQSA-N 283.371 3.778 30 20 CHED CCCCCCCC(=O)NCC[C@@H](O)c1ccccc1 742827013 UJCNOTCEWXEFSZ-MRXNPFEDSA-N 277.408 3.587 30 20 CHED C=C(CC)CN[C@H](C)c1cnn(-c2ccccc2)c1C 754688779 KXOUPYAFZHAJSZ-CQSZACIVSA-N 269.392 3.798 30 20 CHED C(=Nn1cnc2ccccc21)[C@@H]1C[C@@H]1c1ccccc1 755611848 KCKQVTCAASXSQY-LSDHHAIUSA-N 261.328 3.674 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccc(OCC(F)(F)F)cc1 758375331 QTXRHOUHSMPTPS-ZJUUUORDSA-N 272.270 3.681 30 20 CHED CCOc1cc(C#N)ccc1OCc1cccnc1Cl 750825697 WLKFGVGTKCZNLN-UHFFFAOYSA-N 288.734 3.584 30 20 CHED Oc1ccc(/C=N/Cc2cc3ccccc3s2)c(O)c1O 920479829 TTZHURDKHVMQJR-CAOOACKPSA-N 299.351 3.637 30 20 CHED C=CCCC(C)(C)NC(=O)/C=C/SCc1ccco1 856373821 ALAUFPXJKNXASM-DHZHZOJOSA-N 279.405 3.888 30 20 CHED CCC1(C(=O)O[C@@H](C)CC(C)(C)C#N)CCCC1 851210226 SLUIKAXSCCEBBR-LBPRGKRZSA-N 251.370 3.828 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(F)cc1C)c1ccccc1 757580186 POTXQIPTOPUQIL-QGZVFWFLSA-N 281.330 3.629 30 20 CHED Oc1cccc(/C=N/Cc2ccc(F)c(Cl)c2)c1O 750949947 KQPOFOTZVCIMOZ-CAOOACKPSA-N 279.698 3.509 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(C)cc1O 920382662 KROWJCTZQJGEBL-ZDUSSCGKSA-N 268.360 3.775 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cn1 851207683 GAWVWUZNSLABQP-GFCCVEGCSA-N 274.364 3.690 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)CCc2ccccc2)c1 920942767 PZYWJYZCMZJCNF-NFECSFHCSA-N 283.371 3.841 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc([C@@H]2CCOC2)cc1 926491152 AMMXOZYHPKZAOB-DZGCQCFKSA-N 272.392 3.931 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(F)cc1C 853005878 LZIDEOSYGKGCOH-ALCCZGGFSA-N 272.323 3.637 30 20 CHED CC(C)(F)CCNCc1cc(C#N)ccc1Br 922247020 ZYWUSYWWWDNXJQ-UHFFFAOYSA-N 299.187 3.549 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cccnc1C(F)(F)F 859724506 GCKMOIVXNDFKEP-UHFFFAOYSA-N 287.281 3.746 30 20 CHED COc1cc(F)cc(NN=Cc2sccc2C)c1 759212520 IHMJVKYNUFOHCI-UHFFFAOYSA-N 264.325 3.650 30 20 CHED C=CCN(C(=O)NCC(CC)(CC)CC)C(C)C 759603390 WNPCSUKKQTZUTG-UHFFFAOYSA-N 254.418 3.809 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(CF)cc1 851206958 ZBYADDSWNDILSN-LLVKDONJSA-N 263.312 3.641 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@@H]1CCC(=O)[C@H]1C 851145685 YXSCISZSUJONGI-FQLMCAECSA-N 278.392 3.670 30 20 CHED Cc1ccc(NN=Cc2cnc(C(C)(C)C)nc2)cc1F 853438317 XATVKIXEQNGCQX-UHFFFAOYSA-N 286.354 3.668 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCC[C@H]2CC)c1 756808725 MOMRCALBULZTAM-HIFRSBDPSA-N 272.417 3.533 30 20 CHED C#CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]1CC)c1ccccc1 757041940 KVTJPASWDCUMRZ-BHYGNILZSA-N 284.403 3.629 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCc1ccc(F)cc1F 851208619 ZXDXIGZFCLJAAW-LLVKDONJSA-N 295.329 3.769 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1cccc(Cl)c1 759349141 HNLGUERDPVGJIS-UHFFFAOYSA-N 289.693 3.708 30 20 CHED N#Cc1cnc(NC(=O)c2occc2-c2ccccc2)s1 759632274 OYTLYHIXVJLIFA-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@@H]1CCC(C)(C)C1 753727838 QCTCGGRFCWKFMT-CHWSQXEVSA-N 258.365 3.968 30 20 CHED C=CCCNC(=O)Nc1ccccc1COC(C)(C)C 932539865 LFMPSPPGCHZMTE-UHFFFAOYSA-N 276.380 3.699 30 20 CHED CCCCCCCC(=O)NCc1ccccc1OC 935886880 GCORCQLMZFNKHG-UHFFFAOYSA-N 263.381 3.672 30 20 CHED N#Cc1ccc(C(=O)OC2CCC(F)(F)CC2)cc1Cl 860972344 HKOFOXMQMBWCTI-UHFFFAOYSA-N 299.704 3.946 30 20 CHED C=CCCCOC(=O)[C@@H](C)OC1CCCCCC1 761241564 PSAATFBGBYCXJR-CYBMUJFWSA-N 254.370 3.624 30 20 CHED CC#CCCCC(=O)Oc1ccc(CCOC)cc1Cl 861440953 LOTCRKYZOPQNCJ-UHFFFAOYSA-N 294.778 3.628 30 20 CHED Cc1cc(NN=C2C[C@H]3CCCc4cccc2c43)nc(C)n1 763355835 HWSGMSLYZJZIFN-CQSZACIVSA-N 292.386 3.733 30 20 CHED Cc1cc(C)c(/C=C\C(=O)OCC2(C#N)CCC2)cc1C 768109665 JCRWEUYXOBYFNV-WAYWQWQTSA-N 283.371 3.862 30 20 CHED C#CCCN1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 760845785 CPFSTKFZMLMRSG-JTQLQIEISA-N 268.187 3.936 30 20 CHED C=CCN(C(=O)Nc1ccc(C(C)=O)c(C)c1)C(C)C 760090030 XDJFDDXPJZKEMB-UHFFFAOYSA-N 274.364 3.626 30 20 CHED Cc1cc(NN=Cc2csc(Cl)c2Cl)ncn1 761814513 BFLRXYXUBIGHFO-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C=C(Cl)COC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 767475015 ZPIPJKLCIRNMNX-IENTYSSBSA-N 272.747 3.591 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C/c2ccco2)CCCC1(C)C 767218845 LDBNRIRDHCKQGJ-FEAKQIBJSA-N 273.376 3.886 30 20 CHED N#Cc1ccc(CN(C(=O)C(F)=C2CCCC2)C2CC2)cc1 763022010 SMWNVTCWOIFITA-UHFFFAOYSA-N 298.361 3.847 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1ccco1 764991712 VBOCZROYPXVBTF-CQSZACIVSA-N 265.397 3.935 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 761431956 VQVBUULGULRWHA-SOUVJXGZSA-N 278.392 3.671 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C=C/c1ccccc1C(F)(F)F 865078911 XHDHYBDJVNOODN-VFNNOXKTSA-N 296.292 3.527 30 20 CHED C=CCN(Cc1c[nH]nc1-c1ccc(C)cc1)C(C)C 768547400 KZMPCCSTJUMHQA-UHFFFAOYSA-N 269.392 3.782 30 20 CHED COc1ccc(C)cc1C(C)=NNc1cccc(C)n1 863162134 UVEZYZDNVDVUDF-UHFFFAOYSA-N 269.348 3.543 30 20 CHED Cc1cc(Br)ccc1C=NOCC(F)(F)F 764843942 CMDIPSDTXFBNOI-UHFFFAOYSA-N 296.086 3.670 30 20 CHED C(=Nn1cnc2ccccc21)c1cccc(-c2cccnc2)c1 768482136 IJKJMVXKKDULRV-UHFFFAOYSA-N 298.349 3.981 30 20 CHED CC(C)(CC#N)CNc1nc(Cl)nc2sccc12 872569245 GQPBUUAFEHBHJK-UHFFFAOYSA-N 280.784 3.696 30 20 CHED Cc1cc(CNCc2ccc(C#N)cc2)c(C)s1 49686734 YKRHSBQYPKIYKS-UHFFFAOYSA-N 256.374 3.526 30 20 CHED C#CCCCCC(=O)OC[C@H](C)c1ccc(OC)cc1 773853984 CGVZVDPRAJHGAR-AWEZNQCLSA-N 274.360 3.536 30 20 CHED CCc1ccccc1CON=Cc1ccc(C(=O)OC)cc1 1116705913 FTZNPEIVSZPLOJ-UHFFFAOYSA-N 297.354 3.586 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)nc1 1116496188 VDJUJRGVYSRSPK-LLVKDONJSA-N 287.750 3.810 30 20 CHED CCc1ccc(/C=C2\CC(=O)Nc3ccccc3C2=O)s1 774140671 ICIUQGCXBGNQDV-PKNBQFBNSA-N 297.379 3.919 30 20 CHED Cc1csc([C@@H](N[C@H](C#N)c2ccccc2)C2CC2)n1 1118557340 GEXNEIRSLUVCOC-CABCVRRESA-N 283.400 3.757 30 20 CHED CCN(Cc1ccc(O[C@H](C)C#N)cc1)C(C)(C)C 1117789388 KVKVAAHZHZFBJH-CYBMUJFWSA-N 260.381 3.598 30 20 CHED Cc1ccc(OCc2ccc(F)c(C#N)c2)c(Cl)n1 777553518 TYYYMFLAJNLYAD-UHFFFAOYSA-N 276.698 3.633 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cccc(F)c1F 776259207 FGCXYSKNOMKHIO-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=CCCOC(=O)c1c[nH]cc1-c1ccc(C)s1 778429526 LPVCMMXXAIUXJJ-UHFFFAOYSA-N 261.346 3.785 30 20 CHED CC1(C)CCC[C@@H]1C(=O)OCc1ccc(F)c(C#N)c1 772610635 WAGWTMXRTMQPEL-CYBMUJFWSA-N 275.323 3.567 30 20 CHED C#CCCCCC(=O)OCc1cccc(OC(C)C)c1 773637139 ARXHNLKKXHAZPC-UHFFFAOYSA-N 274.360 3.711 30 20 CHED CCCCC[C@@H](C)NC(=O)Nc1cccc(C#N)c1C 770291113 SRPCKAYOAVNRTR-GFCCVEGCSA-N 273.380 3.957 30 20 CHED CON=Cc1ccc(C(=O)Oc2ccccc2Cl)cc1 876027423 RKZZEBDSPUVTLU-UHFFFAOYSA-N 289.718 3.540 30 20 CHED C#CCCCCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 773759487 FVZUZBYBUNUMPH-HNNXBMFYSA-N 276.339 3.605 30 20 CHED C=CCC[C@H](NCC1CCN(C)CC1)c1ccccc1 772856237 LWRGWDIVQPDZBL-SFHVURJKSA-N 272.436 3.625 30 20 CHED C#CCCCCCC(=O)N(CC)c1ccccc1OC 779824919 JQAVSAYMZITFJR-UHFFFAOYSA-N 273.376 3.632 30 20 CHED CCOCCON=C(C)c1cc2cc(C)c(C)cc2o1 774415730 RVIOSJIAIGCVPX-UHFFFAOYSA-N 275.348 3.827 30 20 CHED N#C[C@H](OC(=O)Cc1cc(F)ccc1F)C1CCCCC1 776391140 LKWVTPBMZYZGLX-HNNXBMFYSA-N 293.313 3.523 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc2ccccc2cc1O 776370038 ARNGYNMMNVOZGE-UHFFFAOYSA-N 283.327 3.642 30 20 CHED COc1cccc(/C=N\C[C@@H](SC)C(C)(C)C)c1O 783682156 RQLPBQAMFQHKEZ-WPBJZHHJSA-N 281.421 3.597 30 20 CHED Cc1cc(C(=O)/C=C/c2cc3cc(F)ccc3o2)n(C)n1 789158942 IWNGFURKRVKHNI-SNAWJCMRSA-N 284.290 3.510 30 20 CHED CCCCCCCC(=O)N1CCC[C@]1(CO)CC(C)C 789874214 HQIKEYBIGCDBHE-QGZVFWFLSA-N 283.456 3.747 30 20 CHED c1ccc2c(c1)CSCC2=NNC1CCCCC1 786043311 MQCXJRFHHIJQOY-UHFFFAOYSA-N 260.406 3.560 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)OCc1cn2ccccc2c1C#N 780244702 DPTMNSDWLDOELE-CHWSQXEVSA-N 284.359 3.536 30 20 CHED C=C1CCC(C(=O)N2CCC[C@H]2c2ccc(O)cc2)CC1 895842465 FDNYGZWIUIRCGU-KRWDZBQOSA-N 285.387 3.802 30 20 CHED CC[C@H](CC1CCCC1)C(=O)Nc1ncc(C#N)s1 896482349 YYXMEGUDIQMOOL-LLVKDONJSA-N 277.393 3.560 30 20 CHED C=CCCC(C)(C)NCc1cc(C)cc(OC)c1O 895349169 BDTGCKHSYUTHII-UHFFFAOYSA-N 263.381 3.544 30 20 CHED CCc1oc2ccccc2c1C=NNCCc1ccccn1 789105907 WVUFUKDGSCJFFL-UHFFFAOYSA-N 293.370 3.556 30 20 CHED Cc1cc(CN2CC[C@H](C(C)(C)C)C2)ccc1C#N 1560704929 AOKBFILJJLSHOF-INIZCTEOSA-N 256.393 3.735 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(Cl)c(F)c2)s1 785678433 JCGASOCKBCVLPW-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CC(C)(C)c1cccc(C(=O)N(CC#N)c2ccccn2)c1 892473179 PRDNBJNUQWIHCM-UHFFFAOYSA-N 293.370 3.549 30 20 CHED Cc1ccc([S@](=O)CCCCC2(C#N)CCC2)cc1 899275940 KTTIQJYWRBXMMA-LJQANCHMSA-N 275.417 3.967 30 20 CHED O=C(/C=C\c1c(F)cccc1Cl)c1cncs1 787171520 AQPRFZITIUFGBV-PLNGDYQASA-N 267.712 3.832 30 20 CHED OC[C@H](NN=C(CC1CC1)c1ccccc1)c1ccccc1 788467889 GQYZMKKCOKNOKE-IBGZPJMESA-N 294.398 3.514 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1cn(C)nc1C1CC1)C2=O 899383794 BYOSLFUEBWKBTK-OQLLNIDSSA-N 292.382 3.737 30 20 CHED COc1c(F)cc(N[C@@H](C)CC(C)(C)C#N)c(OC)c1F 894734780 BJMNKOGKFNVAFX-VIFPVBQESA-N 298.333 3.722 30 20 CHED CC1(C)CC[C@@H](NCc2ccc(C#N)cn2)c2ccccc21 795815412 BHYKVASJSIOFGJ-GOSISDBHSA-N 291.398 3.856 30 20 CHED CC(=NNc1nc2ccccn2n1)c1ccc(C(C)C)cc1 790198809 TUQRERUKZVLOGC-UHFFFAOYSA-N 293.374 3.689 30 20 CHED C#Cc1cncc(C(=O)Oc2ccc(Cl)cc2Cl)c1 798242201 FNQCNQZDSFTXMY-UHFFFAOYSA-N 292.121 3.589 30 20 CHED COC1(C=NNc2ccc3ccccc3n2)CCCCC1 790142757 GGLIJTKIDGWFSV-UHFFFAOYSA-N 283.375 3.982 30 20 CHED CC[C@H](C)CON=Cc1sc(Cl)nc1Cl 793158136 DEOUJXPZTLTBFG-LURJTMIESA-N 267.181 3.847 30 20 CHED C=CCN(C(=O)Nc1nc(C2CCC2)cs1)C(C)C 799445071 CSTOPHPDWMYYGL-UHFFFAOYSA-N 279.409 3.839 30 20 CHED C=CC[C@H](CC)NCc1ccc([N+](=O)[O-])c(Cl)c1 798958567 DHAXUVLIYNNXKW-NSHDSACASA-N 268.744 3.693 30 20 CHED CCSc1cccc(C=NNc2ncccc2C)c1 790193907 RXPYTLAEHZIQEE-UHFFFAOYSA-N 271.389 3.948 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2cc(C)ccc2C)[C@@H]1C 794478971 BUWCRFQFPZHHRE-ZIAGYGMSSA-N 288.391 3.681 30 20 CHED COc1ccccc1CON=C1CCc2ccccc2C1 799120159 VGFQTDWZTYIFGO-UHFFFAOYSA-N 281.355 3.757 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3cc(C)c(C)o3)n2c1 799895383 ATXPRFFLRUTHGM-AATRIKPKSA-N 280.327 3.749 30 20 CHED CCSc1ccc(C(=O)/C=C/c2c(C)cnn2C)cc1 794699066 AJNHJWNNGZCHEX-MDZDMXLPSA-N 286.400 3.737 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cn(C(C)C)nc1C 798370268 IAUWTBDWUFDAGD-VQHVLOKHSA-N 298.386 3.986 30 20 CHED Cc1ccc2c(CC(=O)OCC#CC(C)(C)C)c[nH]c2c1 798890568 DHKANRMMNZGZMC-UHFFFAOYSA-N 283.371 3.612 30 20 CHED Cc1cccc(Oc2ccccc2C(=O)O[C@@H](C)C#N)c1 799554813 GXVDKUIBGNORFE-ZDUSSCGKSA-N 281.311 3.856 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2ccc3occc3c2)ccc1F 794930732 LIZDRGPSTSQJBO-UHFFFAOYSA-N 299.261 3.926 30 20 CHED C#CCCCCCC(=O)Nc1c(OC)ccc2c1CCC2 791119965 YCAZNXAYAZMVFS-UHFFFAOYSA-N 285.387 3.706 30 20 CHED CC(C)(C)OC(=O)N(CC=NNC1CCCC1)C(C)(C)C 794506048 INLCVJOWNBBNFN-UHFFFAOYSA-N 297.443 3.540 30 20 CHED CCCCCCCCCN(C)Cc1noc(C)n1 193803430 IJJWKDJRFXOZKO-UHFFFAOYSA-N 253.390 3.560 30 20 CHED CC(C)(C)C1CCC(=NNc2ncncc2F)CC1 793210586 KJJYHGFFTVUFLR-UHFFFAOYSA-N 264.348 3.620 30 20 CHED COCCCON=Cc1ccccc1-c1ccccc1 795048627 NFVPUPVFKFDITJ-UHFFFAOYSA-N 269.344 3.741 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1cncs1)C2=O 798232311 RANQSWUKNLASRR-LFYBBSHMSA-N 259.355 3.781 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cncc(Br)c1 568276764 OZVFUUKJOAFILX-MFKMUULPSA-N 283.213 3.849 30 20 CHED N#Cc1cc(Cl)cc(OCc2nnc(C3CC3)s2)c1 570364798 NXLNUFHGPSHSBJ-UHFFFAOYSA-N 291.763 3.520 30 20 CHED C=C[C@@H](C)OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 781578651 IKPHXOPKAILNJR-LLVKDONJSA-N 291.347 3.765 30 20 CHED Cc1c(Cl)cnc(NC2C(C)(C)C2(C)C)c1C#N 1306990119 IFPITRMRPMIXRU-UHFFFAOYSA-N 263.772 3.762 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1c1ncc(C#N)cc1F 1307133819 YBHCFBGBDYKGJU-WCQYABFASA-N 275.371 3.743 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)C(=O)CC#Cc1ccccc1 1319203560 JMRWRPCUUVRZIP-HNNXBMFYSA-N 295.357 3.787 30 20 CHED CC(C)(C)c1nnc(C[C@H](CC#N)c2ccccc2)o1 1325827203 BLOQWSNBRNMVTK-ZDUSSCGKSA-N 269.348 3.607 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(C#N)cc2C)C1 1644695314 RPCQDPBYUWVWCN-QGZVFWFLSA-N 256.393 3.879 30 20 CHED COc1ccncc1CSc1ccc(C#N)c(C)c1 1189582933 MDGDYTBOMUTWHL-UHFFFAOYSA-N 270.357 3.563 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C(F)(F)c1ccccc1C 1256130276 CSBSZOPNWVZKFI-CYBMUJFWSA-N 279.330 3.654 30 20 CHED COc1cccc(O)c1/C=N\C[C@H]1CCc2ccccc21 1338806592 MMOARSUMTWFYKM-VCRXTVNUSA-N 281.355 3.550 30 20 CHED C=C(C)CCC(=O)NCc1cnc(-c2ccccc2)s1 1335806057 JBWWGGYUHURRSL-UHFFFAOYSA-N 286.400 3.783 30 20 CHED CCc1nc(C#N)cc(NCc2ccc3ccccc3c2)n1 1185564761 BJUWXLBAZQMNSA-UHFFFAOYSA-N 288.354 3.676 30 20 CHED Cc1cc(NC2(Cc3ccccc3)CCC2)ncc1C#N 1186203444 PUXFAUWKAATBBZ-UHFFFAOYSA-N 277.371 3.839 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NN[C@@H](C)c1ccncc1 1261439675 SFSVFMIOMIOGRV-OLZOCXBDSA-N 295.386 3.658 30 20 CHED C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)C1(F)F 1348338638 MQKVGUHFHKNKLS-WEDXCCLWSA-N 298.358 3.518 30 20 CHED CCCOc1ccccc1NC(=O)c1cc(C#N)ccc1F 1349071105 BCUQODVKIWCINJ-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccnc(-c2ccco2)c1 1347523097 UJTNUUFCDSZMLB-OAHLLOKOSA-N 296.370 3.912 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1cc(C#N)ccc1F 1264051279 VVUYFQRQOLVBCH-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=CC(C)(C)CC(=O)NCc1cccc(C(F)F)c1 1262018457 IXLHKKADFPTQIX-UHFFFAOYSA-N 267.319 3.843 30 20 CHED CCC/C=C/C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1263620314 RAKPAQJVHDPCJD-VMKBVTSJSA-N 287.750 3.749 30 20 CHED C#CC[C@H](CC)c1nnc(N2CCCC[C@H]2CC)n1CC 1352225419 GGHULLFTQUPEDM-LSDHHAIUSA-N 288.439 3.584 30 20 CHED Cc1cc(F)ccc1COC(=O)c1cc(C#N)ccc1F 1435651697 SERBYNJHBRITAY-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(Cl)n1 1355129728 JYWBBNYDNFZIQM-CLFYSBASSA-N 297.745 3.567 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1523106635 JHAHWMZXGNRURB-ZDUSSCGKSA-N 290.794 3.768 30 20 CHED CN(Cc1cccc(C#N)c1)c1nc2ccc(F)cc2s1 1458100699 VUUGBWMKVOUEFL-UHFFFAOYSA-N 297.358 3.943 30 20 CHED CSc1cc(C(=O)Nc2cccc(CC#N)c2)c(C)o1 1526247824 DDFSGOWCDWWABZ-UHFFFAOYSA-N 286.356 3.628 30 20 CHED Cc1cccc(Cl)c1C(=O)Nc1cc(F)cc(C#N)c1 1462170705 LZELVODKTTYTSO-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CC[C@H](C)C[C@@H]1C 1532097094 PVCKNKAIHVGBKV-RWMBFGLXSA-N 251.370 3.684 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)C1 1466772876 JMEGAVKGLZYSHE-NEPJUHHUSA-N 289.354 3.645 30 20 CHED CC[C@H](C)Oc1ccc(Nc2cc(C#N)nc(C)n2)cc1 1611860944 NFQOHOCJFGECNW-NSHDSACASA-N 282.347 3.578 30 20 CHED Cc1oc2ccccc2c1CNc1ncc(C#N)cc1F 1472750875 PQBONZSSIVXUBX-UHFFFAOYSA-N 281.290 3.759 30 20 CHED C=C(Cl)CNC1(c2ccc(Br)cc2)CC1 1616706764 AMPPDKJYAFHZHI-UHFFFAOYSA-N 286.600 3.780 30 20 CHED Cc1cc(NC[C@H](C)Sc2ccccc2)ncc1C#N 1472712501 GUFILNMWMMTZHC-ZDUSSCGKSA-N 283.400 3.854 30 20 CHED CC[C@](C)(CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)OC 1474326826 MPOYAJKCXYITPN-RCCFBDPRSA-N 286.419 3.573 30 20 CHED Cc1c(Cl)cnc(NC2(C)Cc3ccccc3C2)c1C#N 1639664756 SNZLJIVWZXLFCV-UHFFFAOYSA-N 297.789 3.885 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)NCC(C)(C)CC#N 1564903073 YGUDODYPEOFFOR-CABCVRRESA-N 293.455 3.832 30 20 CHED Cn1c(CNc2cccc(C#N)c2)cc2ccccc21 1650844070 HEVAMIJRXVHWHM-UHFFFAOYSA-N 261.328 3.662 30 20 CHED Cc1csc(SCCc2ccc(C#N)cc2)n1 1656037486 CTLVDWPWIDPATL-UHFFFAOYSA-N 260.387 3.658 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(C#N)c(F)c1 1678225658 SYPNYQIQOIBQPK-MEDUHNTESA-N 289.354 3.788 30 20 CHED C=CCC1(C=NNc2ccc(C(=O)O)cc2)CCCC1 1776012176 GXUQYDLRYWQDHQ-UHFFFAOYSA-N 272.348 3.919 30 20 CHED C=C(Cl)Cn1c(C)nnc1N(C)[C@H](C)c1cccs1 1690330431 GRMQNCPQMMRHGN-SNVBAGLBSA-N 296.827 3.598 30 20 CHED COc1cccc(NC(=S)Nc2ccc(CC#N)cc2)c1 18145501 DNOCJVIFEMBNBM-UHFFFAOYSA-N 297.383 3.570 30 20 CHED CC[C@H](C#N)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F 162773098 PZPFAAJOJSMCSV-WDEREUQCSA-N 298.308 3.617 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(C#N)c2)s1 206976146 YECZIAONUKAFTG-FPLPWBNLSA-N 253.326 3.824 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1C 158177516 AKBGMWGUXGPNQT-UONOGXRCSA-N 299.418 3.998 30 20 CHED CCCCOc1ccccc1/C=C/C(=O)c1cnn(C)c1C 163369108 VEEZNJCLXYXCSO-ZHACJKMWSA-N 298.386 3.804 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](c1cccnc1)C(C)C 151765235 MBUHEWWERRQHQB-KRWDZBQOSA-N 286.419 3.706 30 20 CHED C=CCC[C@H](NC(=O)[C@H](CC)SC)c1ccccc1 151323412 IFFNKQLYPHBJLS-GJZGRUSLSA-N 277.433 3.952 30 20 CHED N#CCC[C@H](C#N)COc1ccc([N+](=O)[O-])c2ccccc12 153998487 VEIGWTFGEWZION-GFCCVEGCSA-N 295.298 3.570 30 20 CHED CN(Cc1ccncc1)c1ccc(C(F)(F)F)c(C#N)c1 154079087 HKWZQRAYJNJTPL-UHFFFAOYSA-N 291.276 3.608 30 20 CHED Cc1oc(-c2ccccc2)nc1CN(CC#N)C1CCCC1 156710593 TWAXKESQTONNDU-UHFFFAOYSA-N 295.386 3.918 30 20 CHED C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc21 154923914 OMYUAQLNAYCIHH-NSHDSACASA-N 296.757 3.976 30 20 CHED C[C@H](CNc1nc2c(cc1C#N)CCC2)c1ccccc1 159289119 WIRLERDRPWWNHY-CYBMUJFWSA-N 277.371 3.658 30 20 CHED CCc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 18055119 MEPBYQLURKERQU-UHFFFAOYSA-N 267.288 3.772 30 20 CHED CC[C@@H](CSC)N(C)CCCCC(C)(C)C#N 233881702 OZTKNPYNZHBBCL-ZDUSSCGKSA-N 256.459 3.780 30 20 CHED C#Cc1ccc(CNc2ccc(OC)c(Cl)c2)cc1 809597109 ZTPROCLICTVCJJ-UHFFFAOYSA-N 271.747 3.942 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc2occc2c1 926685729 QCFYMRSCLVEQJG-LBPRGKRZSA-N 256.349 3.851 30 20 CHED CC(C)(CNCc1cccc(C#N)c1)c1ccccc1 37864136 HRVHFPFVQXKZEF-UHFFFAOYSA-N 264.372 3.626 30 20 CHED Cc1cc([C@@H](C)NC(=O)C2(C#N)CCCCC2)c(C)o1 44767459 ZLRGKOIYLVQNHS-GFCCVEGCSA-N 274.364 3.548 30 20 CHED N#Cc1cc(Cl)cc(OCc2cccc([N+](=O)[O-])c2)c1 312936680 GUBGSIRXBYZFAF-UHFFFAOYSA-N 288.690 3.699 30 20 CHED N#Cc1cccnc1N(Cc1ccccc1)Cc1ccco1 78390955 TWFSKHWJQPCUTR-UHFFFAOYSA-N 289.338 3.753 30 20 CHED C=CC[C@@H](CC)NCc1cccc(O)c1Br 315438948 OVRXNNMPXPOFCZ-LLVKDONJSA-N 284.197 3.599 30 20 CHED CC(F)(F)CCC(=O)Nc1ccc(C#N)cc1Cl 610896477 BDNXYWXKRLBTHN-UHFFFAOYSA-N 272.682 3.586 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cccc2ccccc12 320185280 AGJHMQBOXGVPBI-GOEBONIOSA-N 269.388 3.818 30 20 CHED N#CCN(CCc1cc(Cl)cc(Cl)c1)C1CC1 447350661 LBZZFZWXSASAPP-UHFFFAOYSA-N 269.175 3.524 30 20 CHED N#Cc1cccnc1NC1(CCOCc2ccccc2)CC1 357534172 NLHPKWWWFMOKBR-UHFFFAOYSA-N 293.370 3.505 30 20 CHED N#Cc1ccc(N[C@H]2CCc3sc(Cl)cc32)cn1 357610741 YDYDMMNUDHOJRY-NSHDSACASA-N 275.764 3.768 30 20 CHED Cc1csc(CNc2nc3c(cc2C#N)CCCC3)c1 379150065 VIOZCQZOHWBEHI-UHFFFAOYSA-N 283.400 3.814 30 20 CHED C#C[C@@](C)(CC)NCC1CCC(C(F)(F)F)CC1 712984556 RKESRJMZSAMCJI-BPCQOVAHSA-N 261.331 3.747 30 20 CHED CCOC1CCC(N[C@@H](C)c2ccc(C#N)cc2)CC1 595005199 DXJQPSQBUXJQQU-IGEOTXOUSA-N 272.392 3.557 30 20 CHED C[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1F 108958803 MQDFRXPZBKLQLU-GFCCVEGCSA-N 282.318 3.634 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 102228846 ZMXUOKMWLBCFPK-ZDUSSCGKSA-N 291.391 3.626 30 20 CHED N#Cc1cc(Cl)ccc1NCC[C@@H]1C[C@H]2CC[C@H]1O2 413402704 GNEQOJCEHUJWTM-WDBKCZKBSA-N 276.767 3.581 30 20 CHED C=CCc1cc(/C=C/C(=O)c2ccc(C)o2)cc(OC)c1O 57789145 SPQWPGMZIKGYDP-BQYQJAHWSA-N 298.338 3.927 30 20 CHED C=CCn1c(SCCC(C)C)nnc1-c1cccnc1 59264133 IERLVOKSGNNKKV-UHFFFAOYSA-N 288.420 3.664 30 20 CHED C#CCCCNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 172925014 IIBDHCAOVGTPQD-UHFFFAOYSA-N 297.320 3.513 30 20 CHED Cc1c(C#N)cccc1NCc1cnn(-c2ccccc2)c1 179058796 ROEQJFVADIEZFN-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(C#N)c1 171683566 FPSXLOFWKHQYCN-ZDUSSCGKSA-N 291.354 3.709 30 20 CHED COCCCCNc1ccccc1SCCC#N 179282398 OGXZRVUNVGSQGR-UHFFFAOYSA-N 264.394 3.531 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCc2cccc(OCC#N)c2)o1 113346867 AXCBHCZUKXRTIE-CXAGYDPISA-N 296.370 3.595 30 20 CHED C[C@@H]1CN(c2ccc(F)cc2C#N)[C@H]2CCCC[C@H]12 302067023 BAWHEFNZAPPXQP-XFJVYGCCSA-N 258.340 3.712 30 20 CHED CCN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 66956009 WGTSUXOIYQFPKR-LLVKDONJSA-N 277.393 3.564 30 20 CHED N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 178402958 ZCGKCNWEHLFMIT-MRXNPFEDSA-N 299.418 3.851 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2nccs2)C1 118395779 SVQGLPGRKNJIGP-BBRMVZONSA-N 297.427 3.955 30 20 CHED N#CCC[C@@H](C#N)CN1CCC[C@H](c2ccccc2)CC1 112560334 CTKNBFIAUTWDLK-WMZOPIPTSA-N 281.403 3.700 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccccc1OCC#N 177650739 BEEPAVSKAZGSAH-AWEZNQCLSA-N 288.391 3.678 30 20 CHED N#Cc1cccnc1N1CCCC[C@H]1Cc1ccccc1 301505756 CQNHSPVIIMBUDL-KRWDZBQOSA-N 277.371 3.555 30 20 CHED CC[C@H](C#N)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 171005979 NSGNIEIZIYFVDR-MRVPVSSYSA-N 296.157 3.507 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc(C#N)cc1F 302481652 RITWOSZCUBGNHE-JKSUJKDBSA-N 276.355 3.703 30 20 CHED N#Cc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 64794286 MLBYSYLCXWOBRO-UHFFFAOYSA-N 292.382 3.602 30 20 CHED C=CCCC(=O)NCCOc1ccccc1-c1ccccc1 60365150 GKDBFNZSTSNTMS-UHFFFAOYSA-N 295.382 3.815 30 20 CHED CC(C)N(C)C(=O)[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 177852072 MTBDUQUSVJYHOX-STQMWFEESA-N 290.432 3.608 30 20 CHED C=CC1CCN(C(=O)c2nc(-c3ccccc3)cs2)CC1 171882757 NLVDBSLKWMUSTG-UHFFFAOYSA-N 298.411 3.848 30 20 CHED COc1cc(OC)c([C@H](C)NCCCCC#N)cc1Cl 178648512 FSXWOZSQNZHPSL-NSHDSACASA-N 296.798 3.702 30 20 CHED C=C(Cl)CSCc1cc(F)cc2c1OCOC2 171545342 SCHFBWIRZUZVCS-UHFFFAOYSA-N 274.744 3.678 30 20 CHED C=C[C@@H](CC(=O)NCc1cccc(OC)c1)c1ccccc1 122617307 OEELJCKUSDZOFS-INIZCTEOSA-N 295.382 3.671 30 20 CHED C#Cc1cccc(NC(=O)C(C)(C)c2cccc(F)c2)c1 128792374 QMFLJCIEODSZPK-UHFFFAOYSA-N 281.330 3.723 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(C2CCC2)cc1 188862551 LFGTXQYQGVNGDU-CYBMUJFWSA-N 270.376 3.576 30 20 CHED CCc1ccccc1CNC(=O)Nc1ccc(CC#N)cc1 77672633 RDQCQRYHKOSWPG-UHFFFAOYSA-N 293.370 3.637 30 20 CHED C=C(C)CN(C)C(=O)c1cc(-c2cccc(Cl)c2)on1 183047874 MQGZEYFGFVNVNC-UHFFFAOYSA-N 290.750 3.643 30 20 CHED CCCNC(=O)c1ccccc1Sc1ccccc1C#N 35903570 HHCCZCSUQIBLGA-UHFFFAOYSA-N 296.395 3.849 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCCC[C@H]1C 425560692 MAGVMDIJTQOYLI-ZIAGYGMSSA-N 264.413 3.744 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)Sc1ccc(C)cc1 410831075 XTBDBABFIIKOCU-KGLIPLIRSA-N 290.432 3.626 30 20 CHED Cc1cnc(S[C@@H](C)c2cccc(C#N)c2)nc1 189836759 FXHRNMNHMHVPPI-NSHDSACASA-N 255.346 3.510 30 20 CHED Cc1nc(C)c(CCN[C@H](C)c2ccc(C#N)cc2)s1 181727226 FVYQOIAUTYZIKF-LLVKDONJSA-N 285.416 3.525 30 20 CHED C[C@H](C#N)Oc1ccccc1NC[C@@H]1C[C@H]2C=C[C@H]1C2 181132008 VTITYCBOAXHCCV-QPSCCSFWSA-N 268.360 3.602 30 20 CHED Cc1ccsc1CNc1ncccc1OCCCC#N 184289705 GAKATOTUYUWXMY-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C[C@@H]1C[C@@]1(NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 500393355 BCXUWCIVFQLGCF-PXAZEXFGSA-N 299.805 3.575 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)n(CC)c1C 182616263 SKURHRIWSIHLQS-GFCCVEGCSA-N 262.397 3.599 30 20 CHED C=CCC[C@H](NCCCOC1CCCC1)C1CC1 120725398 FJUHHPKOHOYQQG-INIZCTEOSA-N 251.414 3.670 30 20 CHED C=CCC[C@@H](N[C@@H]1COC(C)(C)C1)c1ccccc1 417952625 ORSBEZZJZWMPSZ-JKSUJKDBSA-N 259.393 3.851 30 20 CHED CC(C)c1nccn1Cc1ccc(Cl)cc1C#N 185397959 IUHXHXAXNYPZJA-UHFFFAOYSA-N 259.740 3.580 30 20 CHED C=CCOc1cccc(CNc2nnc(C(F)F)s2)c1 184859785 ACRMGVSMNPTBEC-UHFFFAOYSA-N 297.330 3.653 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1c(C)noc1C 126457311 GPYKGSMJFFYFPJ-ZDUSSCGKSA-N 294.439 3.947 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 182922536 SNHBIVVSNFTVNP-ZIAGYGMSSA-N 284.403 3.731 30 20 CHED CC[C@@H](CNC(=O)Nc1cccc(C#N)c1)CC(F)(F)F 413905903 JQXQUBYQYGWGQF-SNVBAGLBSA-N 299.296 3.658 30 20 CHED C=C(C)CN(C)C(=O)CCCCCc1cccs1 180411231 XGVANDWWVGOLDN-UHFFFAOYSA-N 265.422 3.886 30 20 CHED CCC[C@@H]1C[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 79640846 XBRHQHVUVUGBAT-CJNGLKHVSA-N 286.375 3.744 30 20 CHED CC(C)OC(=O)c1ccc(OCc2ccccc2C#N)cc1 32784676 HXUFFIUKBXXNIN-UHFFFAOYSA-N 295.338 3.702 30 20 CHED C=C(C)CN(C)C(=O)C[C@H](CC)c1ccc(C)cc1 180399540 IBYGNOUULRTTGB-HNNXBMFYSA-N 259.393 3.913 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N(C)C[C@H](C)C#N)c1 507501937 ACQWINXYYMPJCH-HUUCEWRRSA-N 286.419 3.607 30 20 CHED COc1cc(F)ccc1NCc1ccc(C#N)c(C)c1 443971561 UIRDSVGEQMHOKR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CSCCCCC/N=C(\N)Nc1cc(C)cc(C)c1 187050737 WDPYYKKXJIFJLO-UHFFFAOYSA-N 279.453 3.563 30 20 CHED CCCC(C)(C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 419645177 PFYNXAKFQBPSJV-INIZCTEOSA-N 299.418 3.814 30 20 CHED Cc1cccc([C@H]2CCCN2c2ncc(C#N)cc2F)c1 413061497 BVGRDWKMKWNFFH-MRXNPFEDSA-N 281.334 3.742 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 212535148 XTVRDWGUBXSSJW-HJWRWDBZSA-N 289.237 3.769 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(Cl)c1 189775579 HWZZUGGARWSLMV-AWEZNQCLSA-N 251.757 3.559 30 20 CHED Cc1ccsc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 71867996 SYWXUWJPLKEVQL-UHFFFAOYSA-N 298.411 3.979 30 20 CHED C[C@@H](SCC[C@@H]1CCOC1)c1ccc(C#N)cc1 419433161 ZBCRZERVNNINRY-OCCSQVGLSA-N 261.390 3.779 30 20 CHED COc1ccc(CN2CCCC(C)(C)CC2)cc1C#N 87833448 JAQMYGVRMFGQCM-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](C)c1nnc(CC)o1 411192892 YNXSRHYQMFNJFL-LBPRGKRZSA-N 289.354 3.520 30 20 CHED Cc1c(C#N)cccc1NCc1cccc(F)c1F 500746385 FWSKVTTZOPRIDT-UHFFFAOYSA-N 258.271 3.757 30 20 CHED Cc1occc1CN(Cc1ccc(C#N)cc1)C(C)C 414374163 VDAFHXSLYAEFQD-UHFFFAOYSA-N 268.360 3.870 30 20 CHED CC(O)=Nc1ccc(Cl)c(C(=O)N2CCCCCO2)c1 329962043 SMMIEALUTDRZNU-UHFFFAOYSA-N 296.754 3.506 30 20 CHED CC1(C[S@](=O)Cc2ccc(C#N)cc2)CCCCC1 414283757 PNYPBQDKIAUEPT-LJQANCHMSA-N 275.417 3.777 30 20 CHED CC[C@@H](CNc1nc2ccccn2c1C#N)CC(F)(F)F 413517314 HENOKGCYLHCSQT-SNVBAGLBSA-N 296.296 3.596 30 20 CHED CCCOc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 508501418 ZCRNIJAHVZMGLD-UHFFFAOYSA-N 294.354 3.794 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 81575073 PTZXTCCCHHFNSD-UGSOOPFHSA-N 280.346 3.890 30 20 CHED N#Cc1ccc(OCCCSc2ccccc2O)cc1 195524408 FUOWBZATLFXDCF-UHFFFAOYSA-N 285.368 3.825 30 20 CHED CC#CCCCC(=O)Oc1cc(F)ccc1Cl 194299458 AGKSFCUBEWXXGF-UHFFFAOYSA-N 254.688 3.578 30 20 CHED CC1(C)CC[C@@H](C(O)=Nc2ccc3ccoc3c2)O1 329967241 VJTHRNLRZIOTHU-LBPRGKRZSA-N 259.305 3.978 30 20 CHED N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(C2CCCC2)cc1 329571378 MPVSUABKPLUECU-IAGOWNOFSA-N 282.387 3.766 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2ccc(F)cc2)cc1 89784775 IOOANHZOWWTJMV-GFCCVEGCSA-N 270.307 3.729 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@H]2c2cccs2)c1 84070926 YCBKOOYNYVYJTO-NSHDSACASA-N 288.397 3.659 30 20 CHED N#Cc1nc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)ccc1Cl 132390133 YCRMQZQLAQXJCV-OGHNNQOOSA-N 295.773 3.604 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 424565875 HHACHOFCDVCATG-QKGCVVFFSA-N 261.409 3.530 30 20 CHED CC1(C)CCC[C@@H]1C/N=C(/O)C[C@H]1CCCC(O)=N1 329361708 CPYZGEDCEISMBG-VXGBXAGGSA-N 266.385 3.668 30 20 CHED CCN(Cc1ccc(C#N)cc1F)[C@H](C)c1cccc(O)c1 80933267 FYKINMKSMIPWFB-CYBMUJFWSA-N 298.361 3.986 30 20 CHED CCC[C@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1F 514932727 KZEBVAUCFMQQEW-LRDDRELGSA-N 291.345 3.839 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(C1CC1)C1CC1 193042543 USOLAPHDEMXUQQ-UHFFFAOYSA-N 275.417 3.699 30 20 CHED N#CC1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 335865443 MSSAQGWBMQORLU-HNNXBMFYSA-N 260.768 3.563 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCCC#N 330907571 WGROXWSCYBVMGC-GFCCVEGCSA-N 293.436 3.788 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(C#N)s1 334831760 RQKNMOCMAGZINH-HWPZZCPQSA-N 286.375 3.782 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ncc(Cl)s1 425365328 KIBKVFJBSUSGAR-SNVBAGLBSA-N 291.807 3.861 30 20 CHED C=CCOc1cccc(-c2nc3cnccc3s2)c1 513862969 BQNGPZQBKBXQGM-UHFFFAOYSA-N 268.341 3.923 30 20 CHED C[C@H]1CCC[C@@H](Nc2snc(Cl)c2C#N)C1 48558764 BQXOXVRXLRFDRI-JGVFFNPUSA-N 255.774 3.659 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(OCC)c(OCC)c1 338604450 VVTGMBBRRSTHPO-CYBMUJFWSA-N 291.391 3.627 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 98053739 PUOMVBOKQMHOJU-WDZFZDKYSA-N 296.326 3.557 30 20 CHED CC(C)[C@H](CNCc1cccc(C#N)c1)N1CCCCCC1 236680718 DIGLRGFZFCIUPF-IBGZPJMESA-N 299.462 3.548 30 20 CHED C[C@H]1C[C@@H](C)N1C(=O)Nc1ccc(C(C)(C)C#N)cc1 336523569 BDDHJIYIGOAQAK-TXEJJXNPSA-N 271.364 3.502 30 20 CHED CCCCN(Cc1ccc(C#N)cc1OC(F)F)C1CC1 437399885 FGSMNWYRJLWTMQ-UHFFFAOYSA-N 294.345 3.924 30 20 CHED Cc1c(CNC(=O)[C@H](C)C#N)sc2ccc(Cl)cc12 336167501 ILWUUTXBXHMYHY-MRVPVSSYSA-N 292.791 3.639 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)Nc1ccc(C2CCC2)cc1 330226320 UKMLADMAEIZQRF-HOCLYGCPSA-N 283.375 3.972 30 20 CHED Cc1ccc(-c2cccnc2)cc1NC(=O)C1(C#N)CCC1 336212576 FLSADQBVOSZXBX-UHFFFAOYSA-N 291.354 3.689 30 20 CHED C[C@H](NC(=O)N1CCC(C#N)CC1)c1cccc(C2CC2)c1 333510842 LYTICZYGRBGTAV-ZDUSSCGKSA-N 297.402 3.570 30 20 CHED N#Cc1c(COc2ccc(F)cc2)cn2ccccc12 344700513 QKADXOAUDYJQPW-UHFFFAOYSA-N 266.275 3.529 30 20 CHED N#CC1(C(=O)Nc2ccc(Oc3ccccc3)nc2)CCC1 346018270 UTUVKMBWFYYOCA-UHFFFAOYSA-N 293.326 3.506 30 20 CHED CC[C@H](C#N)Sc1nccn1-c1ccc(Cl)cc1 436040841 KXIIIVSTBMGUCI-GFCCVEGCSA-N 277.780 3.920 30 20 CHED C=CCCCCNCc1cnc(C2CCC2)s1 349618356 YGXUBIHXJNGSJW-UHFFFAOYSA-N 250.411 3.857 30 20 CHED CC1(C)CC[C@@H]1NCCSCc1ccccc1C#N 342685852 DVVSDFBMKKCDOT-HNNXBMFYSA-N 274.433 3.570 30 20 CHED Cc1ccnc(N2CC=C(c3ccc(F)cc3)CC2)c1C#N 343501454 CQMFJVLZPPJUMQ-UHFFFAOYSA-N 293.345 3.695 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@@](C)(C#N)CCc2ccccc2)C1 247326680 IKMYLJTZSCJWML-SZVBFZGTSA-N 298.430 3.844 30 20 CHED Cc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)o1 346462259 IRKVKLLKPHSFIO-UHFFFAOYSA-N 282.343 3.763 30 20 CHED C=CCCOCC(=O)N[C@H](CCC(C)C)C(C)(C)C 604292513 LLKILZORJXOLIJ-CQSZACIVSA-N 269.429 3.546 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@@H](C)CCC[C@@H]1C 607553683 CQNLNFAYPAYEMA-GJZGRUSLSA-N 287.403 3.902 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N[C@@](C)(C#N)CC(C)C)C1(C)C 604540404 XZBOWTNPENVFSN-CKEIUWERSA-N 276.424 3.669 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 436199813 UYLSTKUFYLRGEE-NEPJUHHUSA-N 288.391 3.794 30 20 CHED CCCOc1c(Cl)cc(CNCCC#N)cc1OCC 345290186 FPDWCQZNOMDMSP-UHFFFAOYSA-N 296.798 3.531 30 20 CHED CCOc1cccc(NC(=O)/C=C\c2ccccc2C#N)c1 255845661 LHJQSJKYUWIVAU-KHPPLWFESA-N 292.338 3.609 30 20 CHED C[C@@]1(C#N)CCCN(CCc2cccc(C(F)(F)F)c2)C1 600143509 DBALUMRGJRHLBU-HNNXBMFYSA-N 296.336 3.874 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(C)c(OC)c1 523510634 SOEFIRKHJXVGAK-UHFFFAOYSA-N 289.419 3.751 30 20 CHED N#Cc1csc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)c1 437569269 OZLSLRQPKLVOAI-CABCVRRESA-N 296.395 3.686 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cccc(Cl)c1F 345879795 FPIIHVPTGZQFMG-UHFFFAOYSA-N 282.746 3.539 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)cc1 602503800 RJZBZTWRPJXNQP-ZDUSSCGKSA-N 292.810 3.529 30 20 CHED Cc1c(NCc2ccccc2C#N)cnn1-c1ccccc1 349747936 LOTDRDKDXBUWSR-UHFFFAOYSA-N 288.354 3.665 30 20 CHED COc1cc(/C=C\C(=O)c2occc2C)cc(Cl)c1O 255121114 WAXHJDBKUIHZPL-ARJAWSKDSA-N 292.718 3.852 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2cncnc2)cc1 344087245 HOMIQIWUXBWDCC-QGZVFWFLSA-N 281.359 3.684 30 20 CHED C[C@H](CNc1cccc(F)c1C#N)N(C)c1ccccc1 603857872 WGRSXYQNBRHMRO-CYBMUJFWSA-N 283.350 3.634 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H](C)c1ccc(C#N)cc1 251975114 DCZAQMZRGPKCFI-HUHSQHJXSA-N 296.414 3.904 30 20 CHED C[C@@H](c1ccccc1)N(Cc1cccc(C#N)n1)C1CC1 602442338 WKUHFLDCNJIGOK-AWEZNQCLSA-N 277.371 3.679 30 20 CHED Cc1ccc(C2(CNC[C@H](C)CCC#N)CC2)c(C)c1 602675184 SMWFVPCKJDPVJB-OAHLLOKOSA-N 270.420 3.865 30 20 CHED Cc1cc2c(SC[C@@H](C#N)CCC#N)ncnc2s1 447161977 DGPRVJZIRYYDKM-SNVBAGLBSA-N 288.401 3.535 30 20 CHED CCOc1cccc(/C=C\C(=O)c2cncc(F)c2)c1 255396580 LXXIPRJEQDZKDC-SREVYHEPSA-N 271.291 3.516 30 20 CHED C=Cc1ccc(CCN[C@H](C)CC2(C#N)CCOCC2)cc1 602673700 BKUZISWCZXOOSE-MRXNPFEDSA-N 298.430 3.561 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N(CC#N)c1ccccc1 609566504 RSIWZDVJTXUOSZ-KRWDZBQOSA-N 292.382 3.812 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccccc1C 606814715 SDCVADVJQKCYER-UHFFFAOYSA-N 259.393 3.742 30 20 CHED COc1ccc(C[C@@H](C)CN(C)C[C@@H](C)CCC#N)cc1 602478776 AFZUCERVXRPYPT-JKSUJKDBSA-N 288.435 3.745 30 20 CHED CCN(CC)[C@H](C/N=C\c1ccccc1O)c1ccccc1 255830690 QGZODROGWSWCGP-WRDGEJPTSA-N 296.414 3.894 30 20 CHED C=CCN1CCC[C@@H](c2nc3ccccc3s2)C1 532625602 KKKUFUKWDZINAE-GFCCVEGCSA-N 258.390 3.662 30 20 CHED N#Cc1cc(F)cc(NC2CCC3(CCCO3)CC2)c1 602723315 GCGLJXOMWKLZHG-UHFFFAOYSA-N 274.339 3.601 30 20 CHED Cc1ccc(S[C@@H](C#N)Cc2ccccc2)nc1 603725816 KJMTXPIANFXOPA-CQSZACIVSA-N 254.358 3.617 30 20 CHED CCN(CC#N)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 355317150 ORTZJUOPVULUQU-UHFFFAOYSA-N 288.435 3.745 30 20 CHED CC[C@H](NCc1cc(F)cc(OC)c1)c1ccc(C#N)cc1 447585641 LCCQAYKKWQFIDU-SFHVURJKSA-N 298.361 3.947 30 20 CHED C=CCn1c(C)nnc1N(C)[C@H](C)c1cc2ccccc2o1 351071316 CQNTWWAQWOAODF-GFCCVEGCSA-N 296.374 3.716 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(CC#N)c1)C1CC1 264111115 BXSYIOAMMAEIFG-ZIAGYGMSSA-N 284.403 3.792 30 20 CHED C=C(CC)CSCC(=O)N(CC)c1ccccc1 536882457 WNXVQQGWLPHNEL-UHFFFAOYSA-N 263.406 3.739 30 20 CHED CC(C)COc1ccccc1CNc1cccnc1C#N 357193591 UZROYDKNPQNIGZ-UHFFFAOYSA-N 281.359 3.600 30 20 CHED CC(C)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl 269164647 VPVCOZGIRMLZCP-AWEZNQCLSA-N 291.782 3.864 30 20 CHED COC(=O)c1ccc(SCCC(C)(C)C#N)cc1 610286056 SCHFZDPPRXHWDW-UHFFFAOYSA-N 263.362 3.505 30 20 CHED COc1cccc(CN(C)CC#Cc2cccc(Cl)c2)c1 448448867 TUUSARBTEQUPPK-UHFFFAOYSA-N 299.801 3.832 30 20 CHED CC1(C#N)CCC(NCCC2Cc3ccccc3C2)CC1 449202367 FUWKAAILSQRTAJ-UHFFFAOYSA-N 282.431 3.854 30 20 CHED CCC[C@H](Sc1ccc(C#N)cc1F)C(=O)OCC 610218717 LIYWOWHQZJFJMT-ZDUSSCGKSA-N 281.352 3.521 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C#N)[nH]c2C)s1 449866613 DRKVLTGCAJRZOU-AWEZNQCLSA-N 299.399 3.542 30 20 CHED COCCN(Cc1ccccc1C#N)[C@H](C)c1ccccc1 351594100 CAFLIGPENIBWIY-MRXNPFEDSA-N 294.398 3.768 30 20 CHED CCC1(O)CCC(Nc2c(Cl)cccc2C#N)CC1 611306691 WCLONICPJRVZFG-UHFFFAOYSA-N 278.783 3.707 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(C)nn1C(C)(C)C 539451072 KUZVULWXKRMWQE-LBPRGKRZSA-N 292.427 3.813 30 20 CHED C=C[C@@H](S[C@H](C)c1ccc(Cl)cc1)C(=O)OC 619689186 RISVXYPEXDYSIP-BXKDBHETSA-N 270.781 3.862 30 20 CHED CCCC[C@H](CC)CC(=O)NCC(C)(C)CC#N 457995826 RKHRROLGSHXEJD-ZDUSSCGKSA-N 252.402 3.649 30 20 CHED N#CC1(CSCc2c(F)cccc2F)CCC1 450963383 XPUGQTYFHUZWGR-UHFFFAOYSA-N 253.317 3.892 30 20 CHED C=CC(C)(C)CN[C@H](C)c1nc2c(s1)CCCC2 453314847 YMXDFNCUFHBZMZ-LLVKDONJSA-N 264.438 3.885 30 20 CHED O=C(c1ccco1)N1CCCSC1=Nc1ccccc1 263592319 ANDZPVSMSZLMMA-UHFFFAOYSA-N 286.356 3.546 30 20 CHED C=CCC1(C(=O)NCc2ccc(C#N)c(Cl)c2)CCC1 619762432 JVJZVFCWANFJOW-UHFFFAOYSA-N 288.778 3.574 30 20 CHED CC(C)n1cc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cn1 538393698 PSBIVTDTCPERFK-ZIAGYGMSSA-N 282.391 3.747 30 20 CHED C=CCC1(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CCCC1 450154544 ANSRBEUYIHVBDI-KURKYZTESA-N 295.426 3.825 30 20 CHED C=CC[C@H](CO)CNCc1cccc(-c2ccccc2C)c1 537024810 ZURGUTYAGGLVGF-SFHVURJKSA-N 295.426 3.936 30 20 CHED CCc1cccc2c1N(C(=O)c1ccc(CC#N)cc1)CC2 535335617 HHEJZVVPZMMWKM-UHFFFAOYSA-N 290.366 3.518 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3cccnc3s2)C1 617777517 QTVJUVXYGQJNMW-LBPRGKRZSA-N 286.400 3.725 30 20 CHED C=C(CNC(=O)c1cn(C)c2ccccc12)c1ccccc1 360209016 OFGPWAVPUINQJI-UHFFFAOYSA-N 290.366 3.622 30 20 CHED Cc1ccc(C#N)c(NCCCCc2ccccc2)n1 611227143 XPRSXYOAGLZPMS-UHFFFAOYSA-N 265.360 3.697 30 20 CHED COC1(C)CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 271678929 JQPOWUYFNVBCOM-UHFFFAOYSA-N 298.308 3.582 30 20 CHED CC(C)[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@@H]1C(C)C 458761777 INVKGYKKZOBSJI-LSDHHAIUSA-N 293.455 3.638 30 20 CHED C=CCOCCCC(=O)Nc1cccc(C2CCC2)c1 360886853 HJJGXANSURDUDP-UHFFFAOYSA-N 273.376 3.875 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@@H](c2ccccc2C)C1 455370356 QQYPEMZCPZWDCU-OAHLLOKOSA-N 286.419 3.706 30 20 CHED C=C(CC)CSCC(=O)c1cc(C)n(C)c1C 540193478 XHZAPBIEUCGOFV-UHFFFAOYSA-N 251.395 3.524 30 20 CHED C=CCC[C@H](NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)C1CC1 540162688 IMUZWGICXXJSJK-YRXWBPOGSA-N 267.416 3.907 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)CC[C@H]2N(C)C 456324857 PTJYWPJULDEOQT-MRXNPFEDSA-N 286.419 3.776 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(Oc2ccccn2)c1 362670962 YFIOBHFGLKQLDK-LBPRGKRZSA-N 283.331 3.570 30 20 CHED C=C(C)COc1cccc(NC(=O)COC(C)(C)CC)c1 457527441 FZVISDUCXJPYNR-UHFFFAOYSA-N 291.391 3.785 30 20 CHED CCc1cc(NC(=O)CC(C)(C)C#N)c2ccccc2n1 278661011 FHPYPYJUZKLGPA-UHFFFAOYSA-N 281.359 3.676 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1ccsc1 453354072 NAGGBSNBOZCTAI-MJBXVCDLSA-N 251.395 3.522 30 20 CHED C=CCC1(c2nc(-c3cc(C)ccn3)no2)CCCC1 453062974 GDKPPJYVCPCACN-UHFFFAOYSA-N 269.348 3.828 30 20 CHED C=C(C)CNC(=O)N(CC)[C@@H](CC)c1ccccc1 275004043 HMTTYQFGLCXLQF-HNNXBMFYSA-N 260.381 3.745 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccccc1OC(F)F 274306715 VQMNZNHEPKNICX-NSHDSACASA-N 295.329 3.515 30 20 CHED CCCc1ccccc1NC(=O)N1CCC(CC#N)CC1 543830162 VAMRUHDAJKBKJF-UHFFFAOYSA-N 285.391 3.797 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](CC)CC(F)(F)F 544853593 FYXXMVIZSCAWNN-GHMZBOCLSA-N 280.334 3.761 30 20 CHED C[C@@H]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C[C@@H](C)C1 462260764 UTMXGEWYUYDXLE-ILXRZTDVSA-N 284.403 3.556 30 20 CHED CCCCOc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)c(C)c1 460033810 PBVRLDMEBJWOSN-GUYCJALGSA-N 286.375 3.662 30 20 CHED C=CC[C@@H](CC)NC(=O)N1Cc2ccccc2C[C@@H]1CC 466366392 GZVHUWSILWMOTA-SJORKVTESA-N 286.419 3.888 30 20 CHED Cc1ccc2c(c1)CC[C@H]2N=c1c(C#N)c[nH]c2ccccc12 462389756 WEBDTWFISPWVSN-LJQANCHMSA-N 299.377 3.936 30 20 CHED C=CCC1(c2nc([C@@H]3CCCS3)no2)CCC1 289183541 WCAUAHPFZGPFOA-JTQLQIEISA-N 250.367 3.636 30 20 CHED C=CCN(C(=O)CCO[C@@H](C)CC(C)C)C(C)(C)C 622944453 SQNQGDQCILYDLI-AWEZNQCLSA-N 269.429 3.641 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 375736919 UHVSOVFUZMDYEE-HBNTYKKESA-N 296.823 3.513 30 20 CHED C[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C)c1cccc(C#N)c1 462117567 CAXKAMIJKJYWKD-BODMPHMZSA-N 296.414 3.841 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2c(ccn2CC(C)C)c1 465249024 BUMGJSYKBVTRJZ-ZDUSSCGKSA-N 285.391 3.993 30 20 CHED C=CCOc1ccccc1C(=O)N1CC2(CCC2)[C@@H]1C(C)C 552723543 OIQFFLCHVYASFY-KRWDZBQOSA-N 299.414 3.902 30 20 CHED C=CCn1c(C(C)C)nnc1N(CC)CCc1ccccc1 554926859 TZNGJADEMZEMFC-UHFFFAOYSA-N 298.434 3.657 30 20 CHED CCCc1ccc(C(=O)COc2ccc(C#N)cc2F)cc1 389226649 HHLKMDFWQZBQSK-UHFFFAOYSA-N 297.329 3.912 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@H](C)CCCC)c1 289504123 MKACVYDPIYVGOR-CYBMUJFWSA-N 258.365 3.710 30 20 CHED CC[C@@H](CNc1cc(C)nc(C#N)c1)Oc1cccc(F)c1 553446328 BPAHGLBCXKSHMF-INIZCTEOSA-N 299.349 3.670 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(c2ccc(C#N)cn2)C1 286631873 VGIRCQGURVEQSX-XJKSGUPXSA-N 263.344 3.541 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H]1Cc1ccccc1Cl 472754966 STKPEJVPRCZLAY-HOTGVXAUSA-N 293.838 3.674 30 20 CHED CCC[C@H]1CCc2ccccc2N1CCO[C@H](C)C#N 801935215 WSBFBUUIQUBKAU-ZBFHGGJFSA-N 272.392 3.537 30 20 CHED N#Cc1cc(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)ncn1 556258263 CYGLCESDKDPXQS-JSGCOSHPSA-N 298.777 3.750 30 20 CHED CCSc1cccc(F)c1NC(=O)N(C)[C@@H](C)CC#N 290063088 INOBQCNIPZOCOH-JTQLQIEISA-N 295.383 3.704 30 20 CHED C#C[C@H](NC(=O)CC(C)(C)C)c1ccc(Cl)cc1F 804422882 ZUCZCANPVABDFN-ZDUSSCGKSA-N 281.758 3.706 30 20 CHED N#Cc1ccc(NC(=O)N2CC(C3CCCCC3)C2)cc1 296201631 NIWMIWHGFRVECG-UHFFFAOYSA-N 283.375 3.602 30 20 CHED CC(C)CC[C@@H]1CCCC1=NN[C@H]1CCSC1 808001537 LSGBSCPYNWVDMP-STQMWFEESA-N 254.443 3.674 30 20 CHED CC(C)Cc1ccc(C(=O)OCCCSCC#N)cc1 805369265 RGOSAWNTAQXGPI-UHFFFAOYSA-N 291.416 3.689 30 20 CHED C=CC(C)(C)C(=O)NCc1c(C)oc2ccccc12 295073711 WSWHGASRVXZGTJ-UHFFFAOYSA-N 257.333 3.570 30 20 CHED Cc1cc(OC(=O)CCCCCC#N)c(C)c(C)c1C#N 809036061 GHEVNDVIQFPMAJ-UHFFFAOYSA-N 284.359 3.863 30 20 CHED CC#CCN(C)C(=O)Nc1cccc(C(F)(F)F)c1C 296606906 LNFCWLSYWXLQKQ-UHFFFAOYSA-N 284.281 3.501 30 20 CHED N#Cc1ncccc1N[C@H]1CC[C@H](c2ccc(F)cc2)C1 569133001 NSMMSVRRZJBVID-ZFWWWQNUSA-N 281.334 3.841 30 20 CHED CC(C)(C#N)CCCNc1ccc([C@H]2CCOC2)cc1 297851407 SWOMAWSCKRSWHX-HNNXBMFYSA-N 272.392 3.932 30 20 CHED C#Cc1ccc(CNc2cn(-c3ccccc3)nc2C)cc1 809637694 ZKFIWNFBCVDQHO-UHFFFAOYSA-N 287.366 3.774 30 20 CHED C#CC[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1 297031662 UUYNECAZRLWJOG-DLBZAZTESA-N 277.367 3.734 30 20 CHED CC1(c2ccc(Cl)cc2)CCN(CC2(C#N)CC2)CC1 470868660 POMBIRUAMXYNOP-UHFFFAOYSA-N 288.822 3.997 30 20 CHED C=CCC1(c2nc(Cc3ccc4n[nH]cc4c3)no2)CCC1 809496221 LICWVFRGBOHDBH-UHFFFAOYSA-N 294.358 3.535 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 476372109 ZXTMZROOHSSTTF-KRWDZBQOSA-N 298.430 3.836 30 20 CHED Cc1csc(NC(=O)N2CCC[C@H](C)[C@@H]2C)c1C#N 565165162 WRLJPCXRVOVEBA-ONGXEEELSA-N 277.393 3.581 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1 480586790 WHPCKBCVFRDYCW-DZGCQCFKSA-N 281.334 3.841 30 20 CHED Fc1cccnc1NN=Cc1ncc(-c2ccccc2)s1 811650083 KIRLANNXGMNDCI-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CCOc1cccc(/C=C\c2ncccc2C#N)c1 486077665 OEFZZWLNTDOZPT-HJWRWDBZSA-N 250.301 3.522 30 20 CHED C=CCCCSCC(=O)N(C)[C@H](C)CC(C)C 482535491 QVJUJVHLQKRXRM-CYBMUJFWSA-N 257.443 3.579 30 20 CHED C=CCCCCCCNC(=O)Nc1cc(C)cc(CN)c1 818634527 OJKKOOKKIPHFCV-UHFFFAOYSA-N 289.423 3.712 30 20 CHED CC(CCc1ccccc1F)=NOC/C=C/Cl 811669993 LXLGCQFHJDLMGZ-JXGBHKHQSA-N 255.720 3.903 30 20 CHED C=C(C)CN(C)C(=O)NCC(CC)(CC)c1ccccc1 487098252 GMUNGKJUFPPIEZ-UHFFFAOYSA-N 288.435 3.962 30 20 CHED C=CCC(F)(F)C(=O)N(C)C1CCC(C)(C)CC1 815779941 CNDAYOUTHYZCKI-UHFFFAOYSA-N 259.340 3.625 30 20 CHED C=CCCCCCS[C@@H](C)C(=O)N[C@@H](C)CC 485557077 CDPCFPLEMIAFIL-STQMWFEESA-N 257.443 3.769 30 20 CHED C=CCC1(NCc2ccc(SC)s2)CCOCC1 657633400 NXDYZMWCDCPLJB-UHFFFAOYSA-N 283.462 3.685 30 20 CHED C=C(C)CN(C)C(=O)NCC1(C)CCCCCC1 488050295 ROLKQSIKSSBTAZ-UHFFFAOYSA-N 252.402 3.564 30 20 CHED Oc1cccc(/C=N/C[C@H](c2ccccc2)C2CC2)c1O 814184049 SNLZQJRLTHPGAU-YDDPGSGASA-N 281.355 3.711 30 20 CHED CCC(C)(C)OCc1cccc(NC(=O)[C@@H](C)C#N)c1C 488869667 BEPTVXFEIARVKV-LBPRGKRZSA-N 288.391 3.798 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)c1ccc(Cl)cc1 650070578 OLSVTKGISPMLFW-LLVKDONJSA-N 265.784 3.772 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N(C)CC(C)(C)C#N 817618045 QSUIGHDFKHQGNX-XYOKQWHBSA-N 290.794 3.751 30 20 CHED Cc1nsc(N[C@H]2C[C@H](c3ccccc3F)C2)c1C#N 571426514 VOYNXDMCPZWLSR-XYPYZODXSA-N 287.363 3.820 30 20 CHED C#Cc1ccccc1Cc1nc([C@@H](C)CCC)no1 810283834 DXXPBURTGQPKHB-LBPRGKRZSA-N 254.333 3.545 30 20 CHED Clc1cccc(NN=C2COc3c(Cl)cccc32)n1 814939056 CJQOXIKTTOEDSI-UHFFFAOYSA-N 294.141 3.597 30 20 CHED CCCCCCCC(=O)N1CCCO[C@H](C(C)C)C1 819403641 CAFJCAPWWMWZMA-HNNXBMFYSA-N 269.429 3.620 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1CCCc1ccccc1 487300554 GFGILQTXDZMCSG-DOTOQJQBSA-N 286.419 3.758 30 20 CHED CC(C)CCOc1cccc(NC(=O)CC(C)(C)C#N)c1 488020437 DJCRBXUNLVXQMM-UHFFFAOYSA-N 288.391 3.990 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)OCC1CC1 728766031 FIAAMNCXGFPNBX-UHFFFAOYSA-N 277.323 3.792 30 20 CHED N#Cc1ccc(CN2CCc3cc(Cl)ccc3C2)cc1 483661368 YUAZWSBEJBXSCB-UHFFFAOYSA-N 282.774 3.770 30 20 CHED C=CCC1(NC(=O)Cc2cnccc2Cl)CCCCC1 655140329 TYIHGIMFLBOCLY-UHFFFAOYSA-N 292.810 3.673 30 20 CHED N#CCC[C@@H](NC(=O)C1CC2(CCC2)C1)c1ccccc1 578444287 PQCPINLSOIYVME-MRXNPFEDSA-N 282.387 3.728 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C12CCC(CC1)C2 577941427 HPIVRQXQANEBNB-IUNXBHMESA-N 294.398 3.632 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCC[C@H]2C[C@H]21 577078619 VCVCPVBONYHZPI-HPBDAGMYSA-N 266.388 3.714 30 20 CHED C#CCN(C(=O)c1ccc(C(=O)CC)cc1)C1CCCCC1 490831088 QUCKBEIGAIUOOU-UHFFFAOYSA-N 297.398 3.687 30 20 CHED CCSc1ccccc1C(=O)NCC(C)(C)CCC#N 576780129 MUJLQGGXUCIMOF-UHFFFAOYSA-N 290.432 3.858 30 20 CHED C=CCCSCCNCc1cc(Cl)c(F)cc1O 826915835 XALLPHZPTCFUCR-UHFFFAOYSA-N 289.803 3.584 30 20 CHED C=CC[C@H]1CCCN([C@H](C)c2nc(O)c3ccccc3n2)C1 661381220 XVOSUJNHBQCLLY-KGLIPLIRSA-N 297.402 3.685 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)Cc1ccccc1C 494705265 WMEBORQYDJODCH-DOTOQJQBSA-N 286.419 3.676 30 20 CHED CC(C)C1CCC(NC(=O)NCC(C)(C)CCC#N)CC1 499550394 AIVMKVYXCIWMGU-UHFFFAOYSA-N 293.455 3.830 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCc2sccc2[C@@H]1CC 820634552 FODSDDQKSZHRTC-OCCSQVGLSA-N 290.432 3.569 30 20 CHED N#CC1(CSc2nnc(-c3cccs3)o2)CCC1 580815149 YGGBKYBTNLSIJH-UHFFFAOYSA-N 277.374 3.584 30 20 CHED C=C(C)CON=C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 496183108 ZECKVXCJJMIKPG-ZIAGYGMSSA-N 296.411 3.601 30 20 CHED CC(C)(C)c1nc(CON=Cc2ccc(F)cc2)co1 902688134 XZUCBUSXKGTFRI-UHFFFAOYSA-N 276.311 3.662 30 20 CHED Cc1c(NC(=O)C[C@H]2CCCC[C@H]2C)ccc(C#N)c1C#N 582414134 SBFYEIOOWKVENB-TZMCWYRMSA-N 295.386 3.893 30 20 CHED Cc1cccc(CC(=NNc2nc(C)cc(C)n2)C2CC2)c1 736427549 AINGUQWUIGJHGR-UHFFFAOYSA-N 294.402 3.822 30 20 CHED CCO[C@H]1CC(=NNc2cccc([N+](=O)[O-])c2C)C1(C)C 736431193 XVJZHRBUDSPVMZ-AWEZNQCLSA-N 291.351 3.506 30 20 CHED CCCCCCCCC(=O)NCc1ccn(C(C)C)n1 737965257 VENZTYFDCFNBPV-UHFFFAOYSA-N 279.428 3.831 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccc(C)cc2F)no1 904682110 ITVGXESGCNFIFF-CYBMUJFWSA-N 275.327 3.540 30 20 CHED CC(CCCc1cccnc1)=NNc1cccc([N+](=O)[O-])c1 834918262 VREKBHUTQZJVGQ-UHFFFAOYSA-N 298.346 3.801 30 20 CHED COc1ccc(C)cc1CSCc1cc(C#N)ccn1 901509601 UZWGRKIQISYRDD-UHFFFAOYSA-N 284.384 3.704 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)CCCCCC#N 588652279 GNNGEHDPBFWBCY-OAHLLOKOSA-N 264.413 3.888 30 20 CHED CC(C)c1ccc(NCc2cc(C#N)cs2)cn1 905431178 PCNZPGRLZNPJTA-UHFFFAOYSA-N 257.362 3.750 30 20 CHED COc1cc(OC)c([C@@H](C)NCC(C)(C)C#N)cc1Cl 903100533 RXXUNZCUGGEDNT-SNVBAGLBSA-N 296.798 3.558 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1cnoc1C 835018514 PKSCZNKOQGVPSU-UHFFFAOYSA-N 257.337 3.943 30 20 CHED Cc1ccc(NN=C2CCCN(C)CC2)c(Cl)c1 835012634 XHVZMKVXWAHYDO-UHFFFAOYSA-N 265.788 3.532 30 20 CHED C=C1CCC(c2nc(COc3ccccc3)no2)CC1 904300554 MBFQAPAESIINPG-UHFFFAOYSA-N 270.332 3.862 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H]1c1ccc(O)cc1 588304588 DWNMJAWROAGNKD-MRXNPFEDSA-N 286.375 3.530 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)c1nc2ccccc2s1 734114488 DNYZHLKBRBVVET-NSHDSACASA-N 299.399 3.557 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H](C3CC3)C2)n1 588855154 UVPUGJDCASQRRQ-OAHLLOKOSA-N 283.419 3.877 30 20 CHED C[C@H]1c2ccccc2CCN1c1ccc(C#N)c([N+](=O)[O-])c1 589581634 VDHCAXMUCRHXQM-LBPRGKRZSA-N 293.326 3.590 30 20 CHED CC(=NNc1ccccc1)c1cc([N+](=O)[O-])ccc1C 739401831 LXQAMRDTPQWJRB-UHFFFAOYSA-N 269.304 3.739 30 20 CHED C=C(CNC(=O)Nc1ccccc1F)c1ccccc1 672598940 ALLNZCYGXVNMGI-UHFFFAOYSA-N 270.307 3.661 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2nnc(C)s2)CCCCC1 838153313 FSLNNCNAARVCEO-NSHDSACASA-N 294.420 3.977 30 20 CHED CC(CCC1CCCC1)=NN[C@H](C)C(F)(F)F 835000103 IWZJUNLDCBQVIP-SNVBAGLBSA-N 250.308 3.873 30 20 CHED CCCCCCCCC(=O)N[C@@H]1C[C@@H](C)n2ccnc21 836961637 ZGFVDKHCYUUHJU-ZIAGYGMSSA-N 277.412 3.756 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(O)c1Cl 590188376 YQYIKEBAJNAPHD-OAHLLOKOSA-N 298.773 3.694 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 597175055 VDQRTGCHHKNPSC-LBPRGKRZSA-N 298.308 3.711 30 20 CHED N#CCCCCOC(=O)Cc1ccc(Cl)cc1Cl 912956747 VSRWCNKLJFYQMO-UHFFFAOYSA-N 286.158 3.773 30 20 CHED N#C[C@H](C(=O)c1ccc(-c2ccco2)s1)c1ccccn1 675906465 DWIRQPKFSZJMIM-NSHDSACASA-N 294.335 3.893 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)c2cccc(C#N)c2)c(O)c1 743501266 HUKGVFYOSKOAMX-RQZLXBNYSA-N 294.354 3.843 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)C(C#N)(CC)CC 599305224 WKHMBMBKEXWPTP-MRXNPFEDSA-N 286.419 3.844 30 20 CHED Cc1cc(C)c(C=NNc2ccc(Cl)nn2)cc1C 916288109 MUKMFMYPVYEMGN-UHFFFAOYSA-N 274.755 3.501 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCC(F)(F)C2)c1 675646445 YWOTYJKPXOFYEF-CYBMUJFWSA-N 267.319 3.529 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)NCCc1ccc(C#N)cc1 595640456 NAYNKUOHAGENOH-OAHLLOKOSA-N 299.418 3.535 30 20 CHED Cc1ccc(/C=C2\CCc3c(cnn3C)C2=O)c(Cl)c1 844547920 BRGZKBTWQQXICA-XYOKQWHBSA-N 286.762 3.594 30 20 CHED Cc1ccc(N(C)C(=O)/C=C\c2ccccc2C#N)cc1C 917803962 AXQICDYWNJDTIS-LUAWRHEFSA-N 290.366 3.851 30 20 CHED C=CCCOCCCCC(=O)N1CCC2(CCC2)CC1 671875207 HUIGJABUMXSPSG-UHFFFAOYSA-N 279.424 3.542 30 20 CHED COCC(CC(C)(C)C)=NNc1oc(C(C)C)nc1C#N 844580592 ZKBYHVPPBSNIPV-UHFFFAOYSA-N 292.383 3.520 30 20 CHED Clc1ccc([C@H]2CCCC(=NN[C@H]3CCOC3)C2)cc1 841635684 OKKCJDDZZXKDTM-BBRMVZONSA-N 292.810 3.732 30 20 CHED CCC(Cc1ccccc1)=NNc1cncc(Cl)n1 914557843 YZLKPWBNUAKWBG-UHFFFAOYSA-N 274.755 3.551 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Oc2cccc(OCC#N)c2)C1 841342248 AKGMABLUIFHGEM-KGLIPLIRSA-N 287.359 3.711 30 20 CHED Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc(Cl)s1 849241725 LVGJEMHRUOQODP-PLNGDYQASA-N 292.791 3.909 30 20 CHED COc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc1C 915988775 HCWMTONMVIKJLB-PXNMLYILSA-N 296.322 3.634 30 20 CHED COc1ccc(C(C)(C)CNc2ccc(C#N)cc2)cc1 746090006 LFCICZGNRXMRFC-UHFFFAOYSA-N 280.371 3.957 30 20 CHED COC1CCC(C(=O)OCCC2(C#N)CCCCC2)CC1 840473876 YYZBSDSDFMBRRP-UHFFFAOYSA-N 293.407 3.599 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC[C@@H](CC#N)C1 595533971 DHGHYCGUSKETON-QLFBSQMISA-N 291.439 3.536 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@@H]2c2ccc(F)cc2)n1 741159281 CPNPIOOXMWTQCX-OAHLLOKOSA-N 298.365 3.968 30 20 CHED C=CC1CCN(C(=O)c2cc3ccccc3cc2OC)CC1 599680735 CUYURAQGOXOSTL-UHFFFAOYSA-N 295.382 3.887 30 20 CHED C#CCOC(=O)c1ccccc1SCC=C(C)C 741369027 GWQDVTGYGZPKKU-UHFFFAOYSA-N 260.358 3.535 30 20 CHED COc1cccc(/C=C\C(=O)c2coc(C(C)C)n2)c1F 844553749 WRLYDVODDLYUAM-FPLPWBNLSA-N 289.306 3.842 30 20 CHED C=C(CNCc1ccc(OC)c(C)c1)c1ccccc1 742717550 ATJXZNXAEGGZMI-UHFFFAOYSA-N 267.372 3.807 30 20 CHED COc1ccc2c(c1)CC[C@@H](NC1CCC(C)(C#N)CC1)C2 590647669 JODOORXIOVEJSK-TVRKMHQQSA-N 298.430 3.615 30 20 CHED N#CCOc1ccc(Cl)cc1CNC1(C2CCC2)CC1 844421127 XUFNQATUHNIWAM-UHFFFAOYSA-N 290.794 3.665 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@@H](C(C)C)CC1 685543977 ABZWCPNLECUDCH-OAHLLOKOSA-N 290.455 3.850 30 20 CHED C=CCCCCN1C(=O)O[C@]2(CCCc3ccccc32)C1=O 842054548 NPXAAOJZSYDWJX-SFHVURJKSA-N 299.370 3.553 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842941340 AAIOWNHPZVCDIU-HSMVNMDESA-N 288.416 3.879 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C)c(-n2cccc2)c1 842479374 HWASUZNKPFGVSA-UHFFFAOYSA-N 282.387 3.824 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1[C@@H](C)c1ccccc1 928382349 FEDGTKFRRMRPSY-WMZOPIPTSA-N 283.415 3.975 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1cccc(Cl)c1 921220140 WHOWBTGUMGAVQE-RYUDHWBXSA-N 282.767 3.925 30 20 CHED C=C(C)CN(CC)C(=O)/C=C\c1ccc(SC)s1 858420090 XTVHLKHHZDHKFK-VURMDHGXSA-N 281.446 3.908 30 20 CHED C=CCC[C@H](C)Nc1ccc2c(C(=O)O)c[nH]c2c1 859820008 PABPHTVUSZFKKB-JTQLQIEISA-N 258.321 3.633 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1CCCc2cn(C(C)C)nc21 853474075 VEAKACZFRWISOB-HNNXBMFYSA-N 295.390 3.529 30 20 CHED Cc1cc(C)c(NC(=O)[C@@H](C)ON=CC2CC2)c(Cl)c1 853735431 SVDPHIYPOKKMBL-LLVKDONJSA-N 294.782 3.696 30 20 CHED C=C(Br)COC(=O)c1ccc(C)cc1Cl 755657164 OWMAIFXXXVALKK-UHFFFAOYSA-N 289.556 3.714 30 20 CHED N#Cc1cccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)c1 850362263 GTKOBZNZCLPMGF-IBGZPJMESA-N 292.382 3.930 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C/c2cccs2)C1 855437675 ZOSGLIJJBHEPHI-XEHSLEBBSA-N 261.390 3.576 30 20 CHED Cc1cc(C#N)ccc1CSCc1cnoc1C 853787854 POQQFACOMIQZFN-UHFFFAOYSA-N 258.346 3.597 30 20 CHED Cc1ccc(COC(=O)CCc2ccc(C#N)cc2)cc1C 758394328 MHFDXISHRRAALW-UHFFFAOYSA-N 293.366 3.851 30 20 CHED CC(C)[C@@H](N[C@H](C)CC(C)(C)C#N)c1nc(C2CC2)no1 925410998 LISFXWYQOFSBHG-DGCLKSJQSA-N 290.411 3.562 30 20 CHED CCOc1ccc(O)c(C=Nc2ccccc2F)c1 920946223 UKRHCYGFPQKCAS-UHFFFAOYSA-N 259.280 3.681 30 20 CHED C#C[C@H](CC)NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 754393477 AFEMUYUUUOHBRN-RRFJBIMHSA-N 269.388 3.504 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(N(C)CCC#N)cc2)C[C@H]1C 757997648 PWCNQQPSBRJBDW-NUJGCVRESA-N 299.462 3.951 30 20 CHED C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc2ccccc12 852099015 BFWWYYVNJPJBPD-LIRRHRJNSA-N 294.398 3.558 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](F)c2ccccc2)C1 855438585 KUZDZXQTAXIPLH-ZFWWWQNUSA-N 261.340 3.512 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1 759084161 YNHPBZPOKPLWDK-GQCTYLIASA-N 298.729 3.533 30 20 CHED N#Cc1ccccc1C=NNc1ccccc1Cl 755470517 BBEPHIVTUJONIF-UHFFFAOYSA-N 255.708 3.658 30 20 CHED C[C@H](NCCCCC1(C#N)CCC1)c1c(F)cncc1F 930475014 YNCXOWSPXJVGPN-LBPRGKRZSA-N 293.361 3.875 30 20 CHED C=C(Cl)COC(=O)CC[C@H](C)c1ccccc1 750094294 BVJPKZVGLRLCJR-NSHDSACASA-N 252.741 3.866 30 20 CHED Fc1ccc(C=NNc2ccc(Cl)nc2)c(Cl)c1 767787898 ICLQSJXTLUCQHP-UHFFFAOYSA-N 284.121 3.974 30 20 CHED Cc1cc(Cl)cc2c1OCCC2=NOCC(F)(F)F 764835690 NMHJXTOBBNCNBG-UHFFFAOYSA-N 293.672 3.714 30 20 CHED CC(=NNc1cnn(C)c1)c1cccc(Cl)c1Cl 761884728 MKZVWOUOSQNEFZ-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1ccc(Cl)cn1 935530454 KFZVVQHMXLMBDN-MNOVXSKESA-N 266.772 3.515 30 20 CHED C=CCCC(=O)COC(=O)/C(C)=C/c1cccc(Cl)c1 761432316 YNIURSVJBODJAU-FMIVXFBMSA-N 292.762 3.822 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)ncn3C)s1 761199984 ICIJIPGZYGCFMI-ALCCZGGFSA-N 282.368 3.839 30 20 CHED C#CCOc1cccc(-c2noc([C@@H]3CC=CCC3)n2)c1 761779828 VRKNGXOPZQDSFQ-CYBMUJFWSA-N 280.327 3.572 30 20 CHED Cc1ccc2occ(CC(=O)O[C@@H](C)C(C)(C)C#N)c2c1 860623493 LVYZDJLCYOLHKN-LBPRGKRZSA-N 285.343 3.765 30 20 CHED C=CCn1c(SCOCCC)nc2ccccc21 863222490 LPHLMRGSATVJEN-UHFFFAOYSA-N 262.378 3.699 30 20 CHED CC#CCCOC(=O)C1(Cc2ccc(Cl)cc2)CC1 760274988 WWEJILXIGZBTBN-UHFFFAOYSA-N 276.763 3.619 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 860825559 KWEFOOZTIRQUDA-BSWAZPDLSA-N 283.371 3.724 30 20 CHED Cc1sccc1C=NNCCCOCc1ccccc1 863176825 AOGBXZBUMBLEPH-UHFFFAOYSA-N 288.416 3.587 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)CCSCC)cc1 766344362 SNICZAIBNFVXOF-GJZGRUSLSA-N 291.460 3.881 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2cccc(Cl)c2)c1 766503410 XBDQMORWGIFVGU-WAYWQWQTSA-N 290.702 3.616 30 20 CHED CCOc1cccc(CCC(=O)OCC(C)(C)CC#N)c1 860658987 UMXWSABCSASEEP-UHFFFAOYSA-N 289.375 3.501 30 20 CHED CC[C@]1(C)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 769519136 KZDIERWONQMSPL-WMLDXEAASA-N 272.392 3.599 30 20 CHED CC1(CCOC(=O)c2cc3ccccc3n2CC#N)CC1 764233490 OJCKHHULKIHIDZ-UHFFFAOYSA-N 282.343 3.512 30 20 CHED CCOc1ccc(C(C)=NNc2ccccc2)cc1[N+](=O)[O-] 765544057 RKTNQQMHVNERJL-UHFFFAOYSA-N 299.330 3.830 30 20 CHED N#Cc1cccc([C@H]2CN(CC3CCCCC3)CCO2)c1 761758189 DTOBWTPMUIFIQA-GOSISDBHSA-N 284.403 3.512 30 20 CHED C=CCCC(=O)COC(=O)C(C)(C)c1ccccc1Cl 761408342 VEWDDYKABNLVMO-UHFFFAOYSA-N 294.778 3.696 30 20 CHED C#CCCCCCC(=O)Nc1nc(CC)c(C)s1 779848892 BQWJOJFAMPUUDQ-UHFFFAOYSA-N 264.394 3.536 30 20 CHED N#Cc1nc(N2CC[C@@H]3CCCC[C@H]3C2)sc1Cl 1118578105 BGBVVJPGMWFYNI-UWVGGRQHSA-N 281.812 3.685 30 20 CHED CC[C@@H](NC(=O)N1CCC(C#N)CC1)c1cc(C)ccc1C 875880187 ILOOPMGDCWCDLQ-QGZVFWFLSA-N 299.418 3.700 30 20 CHED C#CCCOC(=O)C1(c2cccs2)CCCCC1 779196372 QGGPPZDQWXEEDB-UHFFFAOYSA-N 262.374 3.517 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)c(F)cc1F)C1CCCC1 876345710 HHCDIXMAQUJLPH-SECBINFHSA-N 278.302 3.601 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](C)C3(CCC3)C2)cc1 779603792 BQHXLFSAAUGQBP-CVEARBPZSA-N 298.430 3.990 30 20 CHED C=C(CC)COC(=O)c1cccc(C(F)(F)F)c1F 773520691 BIGUXPCDNCLFEQ-UHFFFAOYSA-N 276.229 3.968 30 20 CHED N#CCc1cccc(C(=O)OCCCc2cccc(F)c2)c1 778779813 AYQDVRVIHISPIJ-UHFFFAOYSA-N 297.329 3.681 30 20 CHED C=C(Cl)CN[C@@H](Cc1ccccc1OC)C(C)C 773004961 MTHPZOMXLJXPMC-AWEZNQCLSA-N 267.800 3.604 30 20 CHED Cc1ccc(F)c(N=C2NN=C(CC3CC3)CS2)c1 776241400 CUELCLURWXDOGZ-UHFFFAOYSA-N 277.368 3.614 30 20 CHED CCCCCCCN[C@@H]1CC[C@@H]2SCCS[C@@H]21 776747463 YNYCTNIWMLOCCK-HZSPNIEDSA-N 273.511 3.926 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1cccc(F)c1F 773126547 UJPSHTSUPLPXLA-CYBMUJFWSA-N 266.335 3.857 30 20 CHED C#CCOc1ccccc1NC(=O)C1=CCCCCC1 775939408 RMSHARDYZIWJII-UHFFFAOYSA-N 269.344 3.528 30 20 CHED C[C@H](OC(=O)[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 1127021656 QYMYWSGCHHLHJW-WWGRRREGSA-N 271.360 3.989 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@@H](C#N)Cc1ccccc1 779712856 MMPDITKPVDOOEE-GDBMZVCRSA-N 291.354 3.524 30 20 CHED CN(C(=O)c1cccc(C2CC2)c1)c1ccc(C#N)cc1F 1125662706 PMHCKNYPGWFUES-UHFFFAOYSA-N 294.329 3.851 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1nn(C)c2ccccc12 1123444177 OYTIHXRLJKJUFS-ZDUSSCGKSA-N 298.390 3.536 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccc(F)cc3)cn2c1 789127934 PMLAQEUPOPVSBE-FPLPWBNLSA-N 280.302 3.678 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H](C)c1sc(CC)nc1C 1120610363 CHPSFYAFCWUFTM-LBPRGKRZSA-N 280.437 3.890 30 20 CHED CC(C)(C)CCNN=C1CCC2(CCOCC2)CC1 782903530 WTKZKUUUDPSRDW-UHFFFAOYSA-N 266.429 3.739 30 20 CHED CS[C@H](C/N=C\c1ccccc1O)C(C)(C)C 783682599 XTRFMEIKADJQRB-MLJKTZRHSA-N 251.395 3.589 30 20 CHED CC(=NNc1ccnc(F)c1)c1cccc(OC(F)F)c1 781134178 VANFANGXALQBBR-UHFFFAOYSA-N 295.264 3.658 30 20 CHED CCCCCC[C@H](C)NC(=O)c1ccc(F)c(C#N)c1 788278251 PYMVKHIBMLCCTD-LBPRGKRZSA-N 276.355 3.786 30 20 CHED C#CCC1(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)CCCCC1 788168501 MQTOZKXDTIIROA-GOEBONIOSA-N 299.414 3.993 30 20 CHED Cc1cccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c1F 780162664 WTSWEAUVJLTNPL-GFCCVEGCSA-N 298.317 3.677 30 20 CHED C=C[C@H](CC)CC(=O)OCc1c(C)nn(C(F)F)c1C 1122822141 WVTUVCSUAPCUNQ-LLVKDONJSA-N 286.322 3.541 30 20 CHED CCC(Cc1ccc(C)cc1)=NNCCc1ccccn1 789125185 SGWAVGMVORFTST-UHFFFAOYSA-N 281.403 3.531 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C[C@H]2CCCC[C@@H]2C)o1 783838369 ZAJQUNQYYYKORQ-QWHCGFSZSA-N 288.395 3.969 30 20 CHED N#C[C@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1 896504052 RNJSYKGSLKWNRK-OAHLLOKOSA-N 292.382 3.795 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 783307335 CGUCDEVMIQZFCA-RBSFLKMASA-N 296.455 3.576 30 20 CHED C[C@]1(C#N)CCCN(C(=O)NCC2CCCCCCC2)C1 784235816 JZXIDGJYUIOTKE-QGZVFWFLSA-N 291.439 3.682 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ncnc2ccsc12 783854918 AVNVNPNXAALEIK-QWRGUYRKSA-N 274.393 3.915 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@@]34CCc3ccccc34)n2)C1 896882379 KDPOIKHBRYGMMZ-MAUKXSAKSA-N 278.355 3.875 30 20 CHED C/C(=C/Cl)CSc1snc(Cl)c1C#N 797829374 IVMOERMVGAAKGL-DJWKRKHSSA-N 265.190 3.903 30 20 CHED C#CCCCN[C@H](c1cc(F)ccc1F)C(C)C 794802117 MTNZWPIBAGQGMC-HNNXBMFYSA-N 251.320 3.665 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@H](C)CCCC 799947814 OVWDNHBAIHBGGH-GFCCVEGCSA-N 277.339 3.603 30 20 CHED Cc1cc(Br)c(CN2CCC[C@@H](C#N)C2)s1 896507154 YRPHBELSFCVBOX-JTQLQIEISA-N 299.237 3.555 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cc1 799895537 CPOFERDMWFYOJF-RMKNXTFCSA-N 284.311 3.579 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 792316975 DOZKTHSPOZEWOY-OCCSQVGLSA-N 296.773 3.514 30 20 CHED N#Cc1cccc(NC(=O)c2[nH]ccc2-c2ccccc2)c1 1135494669 IGDLBKIFNFUSEC-UHFFFAOYSA-N 287.322 3.806 30 20 CHED Cc1nc(-c2ccc(C(=O)OC3(C#N)CCC3)cc2)cs1 799617347 QIZLMBLMEPBDAU-UHFFFAOYSA-N 298.367 3.722 30 20 CHED Cc1nsc(NCc2cc3c(s2)CCCC3)c1C#N 552963002 MGFFWEVCGTXJIR-UHFFFAOYSA-N 289.429 3.876 30 20 CHED COc1ccccc1CON=Cc1ccc(C)s1 799117372 JRZPGVYYFKSIOW-UHFFFAOYSA-N 261.346 3.616 30 20 CHED C=CCCCOC(=O)c1ccccc1C(F)(F)F 735529530 ZTIKNSSKZVQGIM-UHFFFAOYSA-N 258.239 3.828 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cccc(CC(C)C)c1 794933342 SQKWQKPQJIIRRC-MRXNPFEDSA-N 275.392 3.662 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@@H]1CCC(F)(F)C1 796537046 XGENGOWMEZIIML-GFCCVEGCSA-N 296.313 3.765 30 20 CHED CN(C)c1ccccc1CNN=Cc1cccc(Cl)c1 794956341 HKBAUTGJXZEKRO-UHFFFAOYSA-N 287.794 3.530 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](C)Sc1ccccc1Cl 791202278 HQTPHXBIWPMNHI-RYUDHWBXSA-N 295.835 3.739 30 20 CHED COCCCON=Cc1ccc(-c2cccc(F)c2F)o1 795055183 FRYIEXHNWWDTIJ-UHFFFAOYSA-N 295.285 3.612 30 20 CHED COc1cc2c(cc1OC)C(=NNc1ccc(C)cc1)CC2 794452584 ZOPBMGMAAZPINV-UHFFFAOYSA-N 296.370 3.775 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCCCCC)c1 728479206 MYZHEACFCVICIU-UHFFFAOYSA-N 257.377 3.991 30 20 CHED C[C@H](CNCc1ccc(C#N)cc1)COCc1ccccc1 98173563 GFSGEGUUQKVMOV-MRXNPFEDSA-N 294.398 3.501 30 20 CHED CC(=NNCc1ccc(F)cc1)c1cc(C)oc1C 1319750281 BNEHLEWAGAVTRO-UHFFFAOYSA-N 260.312 3.549 30 20 CHED CC(C)CC[C@H]1CCCC1=NNc1nncc(N)c1Cl 1319195301 IFRQKJDBHAYGJG-SNVBAGLBSA-N 295.818 3.716 30 20 CHED CC(C)(NC(=O)CC#Cc1ccccc1)c1cccs1 1319315716 MUIGHSNMCXTJRG-UHFFFAOYSA-N 283.396 3.541 30 20 CHED Cc1cc(C)n(CCSCCCCC(C)(C)C#N)n1 1325324738 FSXKQUBDQXAZQH-UHFFFAOYSA-N 279.453 3.953 30 20 CHED CCC[C@@H](C(=O)OCc1ccc(C#N)s1)C(C)C 1327720424 DQUCOZNQMAIPHR-CYBMUJFWSA-N 265.378 3.735 30 20 CHED N#Cc1ccc(CCOC(=O)CC2(C#N)CCCCC2)cc1 1327567715 XPUPPNHWXNJJEF-UHFFFAOYSA-N 296.370 3.508 30 20 CHED C=CCN(CC=C)C(=O)C(F)(F)c1ccc(Cl)cc1 1323152052 VZFYWFJUIFTKMD-UHFFFAOYSA-N 285.721 3.632 30 20 CHED C[C@H](C(=O)OCCc1ccc(C#N)cc1)c1cccs1 1327945941 QYKNKTTZZAEQQA-LBPRGKRZSA-N 285.368 3.509 30 20 CHED FC(F)(F)CCON=Cc1ccc(N2CCCC2)cc1 1338401063 DSTDBEUECMVRSB-UHFFFAOYSA-N 286.297 3.590 30 20 CHED C[C@H](OC(=O)CC(C1CC1)C1CC1)c1ccc(C#N)cc1 1330905522 XBUAYFCJGVYRPJ-LBPRGKRZSA-N 283.371 3.989 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)n1 1186713233 KEYWVJOCJOCNOP-FRRDWIJNSA-N 272.396 3.537 30 20 CHED CCc1ccc([C@H](C)C(=O)N[C@H](C#N)C2CCCC2)cc1 1331519479 HXUHBKZXSZQIOE-SUMWQHHRSA-N 284.403 3.551 30 20 CHED C=C(C)CCC(=O)Nc1cc(Cl)ccc1NC(C)=O 1335741957 QWCPTGLEGIPWKZ-UHFFFAOYSA-N 280.755 3.593 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc(C)n1 1348668845 GIJDLVWOAUETBV-CYBMUJFWSA-N 297.383 3.522 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(C#N)c(Cl)c1 220983105 IRAFYXYXCRSSQG-UHFFFAOYSA-N 282.730 3.971 30 20 CHED CC1CCN(c2c(C#N)cnc3c(Cl)cccc23)CC1 1458061806 KTAURDMGZVSKGS-UHFFFAOYSA-N 285.778 3.996 30 20 CHED N#CC[C@@H](O)CSC(c1ccccc1)c1ccccc1 1458724460 BZQDVTQFGAVUKF-MRXNPFEDSA-N 283.396 3.784 30 20 CHED CC[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@@H]1C 1459986768 PCYFXABSKNRDEQ-OLZOCXBDSA-N 292.810 3.863 30 20 CHED C[C@@H](NCc1cccc(C#N)c1F)C1CCCCC1 221956274 AZZVQAYPUHDVQE-GFCCVEGCSA-N 260.356 3.756 30 20 CHED N#CC1(CCN2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)CCCCC1 1460165845 LMJNWCLQJQDTEM-QAETUUGQSA-N 272.436 3.828 30 20 CHED CCC1(CN[C@@H](C)c2ccc(OCC#N)cc2)CCC1 224714144 WXZHAZOVDYVSOX-AWEZNQCLSA-N 272.392 3.820 30 20 CHED CCCCCCCCCCN1CC[C@@](F)(C(=O)O)C1 1605266347 GGFNPIFUROTOSR-HNNXBMFYSA-N 273.392 3.626 30 20 CHED CC[C@@H](Cc1ccccc1)NCc1cccc(C#N)c1 112466699 ZVEKBHYGYDZZDI-SFHVURJKSA-N 264.372 3.669 30 20 CHED N#CCC1(CN(Cc2ccc(Cl)cc2)C2CC2)CC1 1615187813 MUJPCTLPNPAUOM-UHFFFAOYSA-N 274.795 3.998 30 20 CHED CCC1(CC)[C@@H](Nc2cccc(OCC#N)c2)C[C@@H]1OC 1474430807 QLOZSPFJIMJHTE-HOTGVXAUSA-N 288.391 3.595 30 20 CHED COc1csc(C(=O)Nc2ccc(C#N)cc2Cl)c1 226348341 YXHRAYQPISHDQB-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1cc(C#N)c2ccccc2n1 1544218704 GPFVJIREBAZSHL-KRWDZBQOSA-N 299.349 3.963 30 20 CHED COc1c(C)ccc(NC(=O)c2ccccc2CC#N)c1C 1625458637 ISMXGLBBXMJDTR-UHFFFAOYSA-N 294.354 3.630 30 20 CHED Cc1nsc(N[C@H]2Cc3ccc(Cl)cc3C2)c1C#N 1643291330 JQMAYOVSEVYJFS-LBPRGKRZSA-N 289.791 3.556 30 20 CHED Cc1nsc(S[C@H]2CCOc3ccccc32)c1C#N 1642417574 SRXZOAHDPDWBNV-ZDUSSCGKSA-N 288.397 3.939 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1F)[C@@H]1CC1(C)C 1646265696 MRNNHAYBDPVEPL-UONOGXRCSA-N 260.356 3.612 30 20 CHED CCOC(=O)C(C)(C)CSc1ccc(C#N)c(C)c1 1644029092 DWVQTHPVLQJAEZ-UHFFFAOYSA-N 277.389 3.548 30 20 CHED Cc1ocnc1CNc1c(C#N)cnc2c(Cl)cccc12 1651704539 GOFPTERMSSUYJF-UHFFFAOYSA-N 298.733 3.668 30 20 CHED C[C@H]1CCC[C@@H]1CNc1ncc(C#N)cc1Br 1651785202 XLNLTZTVTBXBQL-GXSJLCMTSA-N 294.196 3.564 30 20 CHED CC(C)(C#N)CCOc1cccc2c(CC(=O)O)cccc12 1589554778 NGVHETZHDFMWET-UHFFFAOYSA-N 297.354 3.786 30 20 CHED C=CCCCCCN(C)[C@H](C(=O)O)c1ccc(F)cc1 1588799839 LKHTZUSGKOPIIW-HNNXBMFYSA-N 279.355 3.630 30 20 CHED CCCC(C)=NNc1ccc(C(=O)O)c(Cl)c1 1595567928 TVGJUSMGUWWQSZ-UHFFFAOYSA-N 254.717 3.626 30 20 CHED Cc1ccc([C@@H](C)CNCc2cc(C#N)ccc2F)cc1 1665662035 ISDQERSEESWVQV-AWEZNQCLSA-N 282.362 3.899 30 20 CHED C[C@@H](CC(=O)O)c1ccc(NCc2cccc(C#N)c2)cc1 1776403514 FRVASXRADRAKLG-ZDUSSCGKSA-N 294.354 3.749 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc1 150774880 NNLBJUHYBKMWBK-UHFFFAOYSA-N 289.338 3.806 30 20 CHED CC[C@@H](Nc1ccc(C#N)cc1)c1c(C)noc1C 161662585 GKOAPUNWNYLNLD-CQSZACIVSA-N 255.321 3.726 30 20 CHED C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)CCC#N)C1 158791656 KLFHWMZVTCJDTJ-HOTGVXAUSA-N 294.439 3.514 30 20 CHED C=CCCC(=O)Nc1cc(C(C)(C)C)sc1C#N 154253277 UHZCRHFGIODDCN-UHFFFAOYSA-N 262.378 3.822 30 20 CHED C#Cc1cccc(CN[C@H]2CCCc3ccccc32)c1 834901815 BZHKIYHUZMGLIF-IBGZPJMESA-N 261.368 3.835 30 20 CHED CCC1(CNCc2ccc(C#N)c(C)c2)CCCC1 1178184319 MQYZBDRFGGUNGS-UHFFFAOYSA-N 256.393 3.927 30 20 CHED CCc1ccc([C@H](C)Nc2nccc(C)c2C#N)cc1 135188618 FHKXIMXIHXWAOR-ZDUSSCGKSA-N 265.360 3.997 30 20 CHED Cc1ccccc1[C@H](C)NCc1ccc(C#N)cc1F 42335690 DORNYQOFSXEAAE-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED CCc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)s1 43640010 SGQVNQSOGLDEGX-CYBMUJFWSA-N 276.405 3.513 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)cc1Cl 282454674 GULIEZSUKWKTAM-SECBINFHSA-N 298.720 3.976 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2c(s1)CCC2 50212892 MQUQJLXNFYTHIZ-UHFFFAOYSA-N 282.368 3.669 30 20 CHED C[C@@H](Nc1nnc(C(C)(C)C)s1)c1ccc(C#N)cc1 301709551 CZBMAQMZJKLFEQ-SNVBAGLBSA-N 286.404 3.880 30 20 CHED C=CCOc1ccccc1CNCc1ncc(Cl)s1 349565458 OIIMWMURRNQFQF-UHFFFAOYSA-N 294.807 3.651 30 20 CHED CC(C)(C#N)CN[C@@H]1CCc2ccc(Br)cc21 310159614 LLEUIMWAUVSAOE-CYBMUJFWSA-N 293.208 3.576 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)Nc2cccc(C#N)c2)C1 75984667 CLEWPILIAVGPLT-WFASDCNBSA-N 271.364 3.601 30 20 CHED CCC[C@@H](C#N)NC(=O)CCSc1ccc(Cl)cc1 523376384 NWOIOJLUPMTPMF-LBPRGKRZSA-N 296.823 3.631 30 20 CHED N#Cc1cccc(NCc2ccc(Cl)c(Cl)c2)n1 701741559 NFZQGGRTZPUBKR-UHFFFAOYSA-N 278.142 3.872 30 20 CHED CN(CC1=CCSC1)c1ccc(C(F)(F)F)cc1C#N 596553133 HKXNIVCOIFYWJE-UHFFFAOYSA-N 298.333 3.686 30 20 CHED C=CCN(Cc1cccc(C(=O)OC)c1Cl)C(C)C 383921711 HQAHMGPDPOUAPF-UHFFFAOYSA-N 281.783 3.523 30 20 CHED CC(=NNCc1ccccc1)c1c(F)cccc1Cl 807955189 QGUJETATPDFGOK-UHFFFAOYSA-N 276.742 3.993 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCC2(F)F)c(F)c1 394479968 KHTQYZHSYBHZLC-LLVKDONJSA-N 268.282 3.935 30 20 CHED N#CCc1ccc(CNc2c(F)cc(F)cc2F)cc1 399232114 PLLBWJDNNJSSNH-UHFFFAOYSA-N 276.261 3.782 30 20 CHED CCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1C 105484679 UNDMRNANWDVMQR-UHFFFAOYSA-N 278.352 3.603 30 20 CHED C[C@H](NCCCOC1CCCCC1)c1ccc(C#N)cc1 20191434 MRMFSAQIDQWWMZ-HNNXBMFYSA-N 286.419 3.948 30 20 CHED C[C@H](NC[C@H](c1cccs1)N(C)C)c1ccc(C#N)cc1 20147599 SFJIOCMBNZHZDE-XJKSGUPXSA-N 299.443 3.573 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C/c3cccnc3C)c2c1 114992453 UEELUUUDKSKDSJ-VMPITWQZSA-N 292.338 3.776 30 20 CHED C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(C#N)cc1 110159181 CMNTVBUYYHCACV-ZDUSSCGKSA-N 296.395 3.925 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@@H]2C)c1 175268640 HOPFAEUEGPRBNU-OLZOCXBDSA-N 274.364 3.514 30 20 CHED CC[C@H](OC1CCCC1)C(=O)N(CCC#N)CC(C)(C)C 118227197 CCXKQAAZEONBBS-HNNXBMFYSA-N 294.439 3.513 30 20 CHED CC[C@@H](c1ccccc1)c1nnc(SCCC#N)o1 67953807 OOKBLFKTDBTOPR-LBPRGKRZSA-N 273.361 3.617 30 20 CHED COc1cccc(/C=C2/COc3c(C)cccc3C2=O)c1 63279330 LZKLVLUVCBQZCX-ZROIWOOFSA-N 280.323 3.662 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2)CS1 304303114 BNEBTZSRJUWSGI-LDYMZIIASA-N 297.221 3.627 30 20 CHED C=CC[C@@H](C)NCc1cc(Br)ccc1OC 116927306 HJJKZGAKSRHDNL-SNVBAGLBSA-N 284.197 3.512 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(SC(F)F)cc1 64571576 CPXZCASOPMYROW-JTQLQIEISA-N 270.348 3.735 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2Cc2ccccc2)c1 25358773 NDWNTQFKVRSCQQ-LJQANCHMSA-N 276.383 3.765 30 20 CHED CCN(Cc1cc(C(C)C)c(C)cc1O)C[C@H](C)C#N 171065536 WLCVQTAEBKSJMB-CYBMUJFWSA-N 274.408 3.806 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCc2cccc(OCC#N)c2)o1 113346863 AXCBHCZUKXRTIE-DYVFJYSZSA-N 296.370 3.595 30 20 CHED CCN(C(=O)[C@H](C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 171919320 PGHMDAHXNDAPSI-KGLIPLIRSA-N 272.392 3.760 30 20 CHED N#Cc1ccc(CNCCSc2ccc(Cl)cc2)o1 174246494 CBEYXZVJQSFEPW-UHFFFAOYSA-N 292.791 3.687 30 20 CHED CCC[C@@H](C)OC(=O)CSCc1ccc(C#N)cc1 177767239 WOXGQWYZSGWPPL-GFCCVEGCSA-N 277.389 3.523 30 20 CHED Cc1sc(NC(=O)C[C@@H]2C=CCC2)c(C#N)c1C 25870864 DHBXOHRJZLKPSW-LLVKDONJSA-N 260.362 3.531 30 20 CHED Cc1c(C(=O)O[C@@H]2CC[C@H](C#N)C2)oc2c(C)cccc12 179898142 NWWKMRYBGIWCFJ-QWHCGFSZSA-N 283.327 3.899 30 20 CHED CN(C[C@@H](C#N)CCC#N)CC12CC3CC(CC(C3)C1)C2 28922736 DNRVYEFLVQZCLJ-CZVCLPBNSA-N 285.435 3.578 30 20 CHED C=CCOc1ccc(OC(=O)CCCCSC)cc1 173523120 NEKZLDVENAEMSR-UHFFFAOYSA-N 280.389 3.690 30 20 CHED CC[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 128801217 OUESDPYMUJJFEL-IUODEOHRSA-N 294.354 3.533 30 20 CHED CCN(CCC#N)Cc1cn(-c2ccccc2)nc1C(C)C 127581991 VMNOBBXMYNXYKI-UHFFFAOYSA-N 296.418 3.731 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)Cc1ccccc1 121557405 TYOOQKPZRUMCCR-HNNXBMFYSA-N 286.419 3.844 30 20 CHED C=CCOc1cccc(CN(C)[C@H](C)c2ccncc2)c1 183704972 WTFRMOJKCJSMBC-OAHLLOKOSA-N 282.387 3.839 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccc(OC)cc1)C(C)C 184986668 YJTNGBQNWKGIQX-SFHVURJKSA-N 287.403 3.702 30 20 CHED N#Cc1ccnc(SCc2ccccc2OC(F)F)c1 77908214 DKOKEIIGTROPDO-UHFFFAOYSA-N 292.310 3.847 30 20 CHED Cc1cccc(C)c1OC[C@H](NCC#N)c1ccccc1 181379610 CZDLYGCWQUFOOE-KRWDZBQOSA-N 280.371 3.537 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccccc1OC(C)C 125687069 ZEJKYSGWIYOBPX-UHFFFAOYSA-N 287.403 3.858 30 20 CHED Cc1cc(C)c(C(=O)COc2ccc(C#N)cc2F)cc1C 318341572 SVWHIAYNUSNUMK-UHFFFAOYSA-N 297.329 3.884 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)CC1 412458606 CTCOQVGKIZSFEM-LSDHHAIUSA-N 261.409 3.675 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCc2ncccc2F)c1 128118294 UCOBGWLCEVDDHE-UHFFFAOYSA-N 295.239 3.723 30 20 CHED N#Cc1ccnc(SCc2ccc(F)c(F)c2)c1 77907592 XLHSREQZMAUQLT-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CCC[C@H](Nc1ccc(C#N)cn1)c1ccccc1 73868908 XYRAPPUUWJZSES-HNNXBMFYSA-N 251.333 3.907 30 20 CHED N#CCN[C@@H](CC1CC1)c1cc(F)cc(Br)c1 188183194 OFVAEYAJJNFZNO-ZDUSSCGKSA-N 297.171 3.543 30 20 CHED CCS[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1 185854043 MJZFJVAOPGTHRE-LJISPDSOSA-N 266.454 3.723 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@H](C)c1cccc(C#N)c1 75275393 OBFXQIGUGXKOAX-UONOGXRCSA-N 272.392 3.808 30 20 CHED N#CCCCOc1cc(OCc2ccccc2)ccc1C=O 182332927 FITZEBVAYYFQNR-UHFFFAOYSA-N 295.338 3.761 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(CCc2ccccc2)CC1 184939983 IEJZVQIKMMYGAG-UHFFFAOYSA-N 297.442 3.907 30 20 CHED CCCCOc1ccccc1/C=C/C(=O)c1cn(C)nc1C 184754784 AZPJSWQEHVYBDT-ZHACJKMWSA-N 298.386 3.804 30 20 CHED C=CCCN[C@H](C)c1ccc(-c2ccncc2)cc1 180896922 CGYWREDGUUYXMS-CQSZACIVSA-N 252.361 3.975 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCC(=O)c1ccc(F)cc1 182626613 GWYQIAWWBDZKKO-CYBMUJFWSA-N 291.366 3.650 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccccc2OCC2CC2)C1 185837142 GRSSGHBXEKXXSD-DOTOQJQBSA-N 284.403 3.647 30 20 CHED C=C[C@H](CC(=O)OCCOC(C)(C)C)c1ccccc1 122309189 VWOCIBSTFOYDFY-CQSZACIVSA-N 276.376 3.705 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCCC(F)(F)C1 410252032 WWIILEVDSZGHIG-LBPRGKRZSA-N 271.351 3.697 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)[C@@H]1CC 185189623 XVPOTYUTGKSGKP-IHRRRGAJSA-N 252.402 3.561 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2nccs2)CCCCC1 412494651 LJXLHNVNOHARGQ-LBPRGKRZSA-N 278.421 3.847 30 20 CHED N#Cc1ccc(SCc2nccn2CC(F)(F)F)cc1 77566566 KVGPEQPXHXBTCQ-UHFFFAOYSA-N 297.305 3.609 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N(CC#N)C1CCCC1 78208462 IBRQOLRMBCEEDP-HNNXBMFYSA-N 284.403 3.783 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 410142551 YFGZCXBMKRVRGC-WCQYABFASA-N 281.783 3.578 30 20 CHED N#Cc1ccc(Cl)cc1Oc1ccc(C(F)(F)F)nn1 334227732 GDFHQVSSEBSOMA-UHFFFAOYSA-N 299.639 3.813 30 20 CHED C[C@@H](SCC[C@@H]1CCOC1)c1cccc(C#N)c1 419459181 CPVYIBFZFSDPQL-OLZOCXBDSA-N 261.390 3.779 30 20 CHED N#Cc1ccc(NCCCOCCc2ccccc2)c(F)c1 506852878 XZSGEEGETIROEW-UHFFFAOYSA-N 298.361 3.759 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2nccc(C)n2)cc1 185807136 ZZTMXQBYRNLBFM-UHFFFAOYSA-N 293.370 3.584 30 20 CHED Cc1cc([C@H]2CCCN2CCC2(C#N)CCCCC2)on1 411169904 FKFKMGYARYZYFX-OAHLLOKOSA-N 287.407 3.984 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cccc(-c3cc[nH]n3)c2)CCC1=O 328905356 ASJNVYLTOHDORI-YPMHNXCESA-N 297.358 3.670 30 20 CHED CC1(CNc2ccc(C(F)(F)F)cc2C#N)CCOCC1 229736358 DDPFQOPNKQRRFE-UHFFFAOYSA-N 298.308 3.806 30 20 CHED C=CCN(CC=C)C(=O)c1cnc(Cc2ccccc2)s1 86964300 YEEZJODUXWYIGW-UHFFFAOYSA-N 298.411 3.548 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1cc(F)c(F)cc1F 194589670 RYTIXUVYMLMTIP-AATRIKPKSA-N 287.240 3.872 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)c2ccc(C#N)cc2)n1 80458965 DTMSIMJLNVAOTN-CYBMUJFWSA-N 295.367 3.628 30 20 CHED Cc1cccnc1N/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329798793 GWRFFUGHYDYSNU-MELADBBJSA-N 273.380 3.685 30 20 CHED C[C@H]1CC[C@@H](C)N1CC(O)=Nc1cccc(-c2cc[nH]n2)c1 329876828 IKNVUIIHWLBOSB-BETUJISGSA-N 298.390 3.538 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C2CC2)sc2cccc(F)c12 80397289 XFSJMXDBLVMZMD-NSHDSACASA-N 289.331 3.808 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1C[C@H]1c1ccccc1 174378447 NFAKYMNXSLXGTI-HOTGVXAUSA-N 256.393 3.710 30 20 CHED C=C(C)CNC(=O)c1ccc(C)nc1Sc1ccccc1 428108105 QARBZVKQVWNBSZ-UHFFFAOYSA-N 298.411 3.847 30 20 CHED C=CCC(C)(C)C(=O)NCCN(CC)c1ccccc1C 429872686 WUEILXPATQNYQM-UHFFFAOYSA-N 288.435 3.540 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1ccccc1OCC#N 194115867 BQWKTFLQQHAHQD-CQSZACIVSA-N 288.391 3.678 30 20 CHED C=CCN(Cc1ccc2c[nH]nc2c1)Cc1ccccc1F 511522484 LPLKWAKRVZDZKW-UHFFFAOYSA-N 295.361 3.890 30 20 CHED CN(CCCC(C)(C)C#N)[C@H]1CCc2ccccc21 174815251 YYFWAGNANXHPQN-INIZCTEOSA-N 256.393 3.936 30 20 CHED C=C(Br)CNCc1cccc(SCC)c1 380314477 IJHBVAPHXYWHEM-UHFFFAOYSA-N 286.238 3.797 30 20 CHED C=CCC1(C(=O)N2CCc3ccccc3[C@H]2C)CCC1 191916128 MPDFJNXGBYZQLA-CQSZACIVSA-N 269.388 3.879 30 20 CHED COc1cc(CN(C)[C@H]2CC[C@H](C#N)C2)ccc1SC 429684290 JYOGMMOXXJIYKW-JSGCOSHPSA-N 290.432 3.541 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc2[nH]ncc2cc1C 130301866 FKFCXGYZRATOBZ-UHFFFAOYSA-N 269.348 3.578 30 20 CHED CC1CCN(c2ccc(C#N)c(Br)c2)CC1 228890066 OBMFSMWGIYIORW-UHFFFAOYSA-N 279.181 3.557 30 20 CHED C=C1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 518693317 HFNIJXAKYVAPNW-UHFFFAOYSA-N 287.378 3.816 30 20 CHED C=C[C@H](CC(=O)NCC(CC)(CC)OC)c1ccccc1 517769018 ZHMGTPMDANNGHT-OAHLLOKOSA-N 289.419 3.668 30 20 CHED C[C@@H](SCCOCC(F)(F)F)c1cccc(C#N)c1 190826198 MRMIKEVEWVLXFK-SNVBAGLBSA-N 289.322 3.931 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)cc2O)c(C)c1 224364531 GAJPXCGUDBOROB-YVMONPNESA-N 268.312 3.611 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)CNc1cccc(C#N)c1 427202766 HBQXRUIQACCFFL-QGZVFWFLSA-N 299.418 3.541 30 20 CHED CCN(C(=O)NCC1CCC(C#N)CC1)C1CC(C)(C)C1 331936694 XBFUESZTYGMJDQ-UHFFFAOYSA-N 291.439 3.536 30 20 CHED Cc1nc(COc2ccc(C#N)c(Cl)c2)sc1C 190251356 KMRJPJHUJOMBMM-UHFFFAOYSA-N 278.764 3.864 30 20 CHED Cc1ccnc(-c2cccc(N=C(O)[C@H]3CC[C@@H](C)O3)c2)n1 330076091 GRNFECKCJASYCY-IUODEOHRSA-N 297.358 3.608 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(C#N)c(C)c1)CCO2 512293261 SMRPQCGKUIJPJD-UHFFFAOYSA-N 292.382 3.570 30 20 CHED C=C(CNC(=O)N1CCC(CC)(CC)C1)c1ccccc1 512669358 ZTJSFTXDEWURQP-UHFFFAOYSA-N 286.419 3.922 30 20 CHED CSCc1ccc(N/C(O)=N/[C@@H]2CCC[C@@H]2C#N)cc1 330898089 OTCQNQMKAPDYLX-TZMCWYRMSA-N 289.404 3.568 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)c1cccc(C)c1)OCC 339422711 XXUBSFVWCAFNAW-MRXNPFEDSA-N 275.392 3.719 30 20 CHED Cc1csc(-c2cccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)c2)n1 335644421 NCIWDQXQTGDGMO-MGPLVRAMSA-N 297.383 3.607 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1sccc1OC 92504321 DGWGCBFFQZBRDG-UHFFFAOYSA-N 298.411 3.817 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 424981474 YSENCYJPUKNSJR-HRCADAONSA-N 276.424 3.791 30 20 CHED CC1(NC(O)=Nc2ccccc2OCC(F)F)CCCC1 331058580 MNOQXCKMLHOINV-UHFFFAOYSA-N 298.333 3.798 30 20 CHED CC(C)Nc1ccc(/C(O)=N/CCC(C)(C)C)cn1 331151872 ILJHNRVNQGNQCH-UHFFFAOYSA-N 263.385 3.643 30 20 CHED COc1ccc([C@H]2CCN(CC(C)(C)CCC#N)C2)cc1 92783709 UULUURJLBXJJKF-INIZCTEOSA-N 286.419 3.814 30 20 CHED CSc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 339157252 YXXKEUZQNACCPN-SGMGOOAPSA-N 260.406 3.751 30 20 CHED Cc1cc(CN2CCC[C@@H]2c2ccncc2)ccc1C#N 335996963 JXHGMYBJZCHOII-GOSISDBHSA-N 277.371 3.599 30 20 CHED N#C[C@]1(C(=O)NC(C2CCC2)C2CCC2)CC12CCCC2 333644264 CQJAIQQEYPWPRF-SFHVURJKSA-N 286.419 3.545 30 20 CHED C[C@H](NCc1ccccc1C(C)(C)C#N)c1ncccc1F 528829009 NLBIWXDTEUQBHY-ZDUSSCGKSA-N 297.377 3.873 30 20 CHED C=CCOCCCN1CCCCC[C@H]1c1ccco1 348049607 PFHGZOYYHXKXNS-HNNXBMFYSA-N 263.381 3.789 30 20 CHED N#Cc1ccc(NCc2nccs2)cc1C(F)(F)F 49534650 NNLMQLAIEQUGJE-UHFFFAOYSA-N 283.278 3.646 30 20 CHED Cc1ccnc(N[C@@H](C)c2ccc(F)cc2F)c1C#N 343506141 GKEDJSDMJCZWAP-JTQLQIEISA-N 273.286 3.713 30 20 CHED N#CCN(Cc1cc(Cl)cc(Cl)c1N)C1CCCC1 602478266 OSCSFTLNFGDEIC-UHFFFAOYSA-N 298.217 3.844 30 20 CHED COc1cc(C)c([C@@H](C)N2CC[C@@](C)(C#N)C2)cc1C 602718332 NABKUIHPGBBDID-PBHICJAKSA-N 272.392 3.609 30 20 CHED C[C@@H](CSc1ccccc1)N(C)Cc1cccc(C#N)n1 602698209 FKLXJIKCOIUVBN-AWEZNQCLSA-N 297.427 3.566 30 20 CHED C=CCOCCCC(=O)N(CC(C)C)c1ccccc1 344012096 QGCVCBOMOFJDLP-UHFFFAOYSA-N 275.392 3.658 30 20 CHED N#Cc1cccc(S[C@@H]2CCO[C@@H](c3ccncc3)C2)c1 600530976 ULGJFULUWIFFOM-IAGOWNOFSA-N 296.395 3.966 30 20 CHED N#CCCCN1CCN(Cc2ccccc2)c2ccccc21 343871973 FVFXZDWSJMVQJF-UHFFFAOYSA-N 291.398 3.817 30 20 CHED Cc1ccc2oc(SCc3cc(F)ccc3C#N)nc2n1 342439510 ZEMZOYSATKZCCS-UHFFFAOYSA-N 299.330 3.834 30 20 CHED C=CCCN(C)C(=O)c1cc(Cc2ccccc2)ccc1O 436847403 JXRJDBGSPYWDBA-UHFFFAOYSA-N 295.382 3.631 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(OC)c2ncccc12 528162819 IGSGOTNXIZKQCH-UHFFFAOYSA-N 297.358 3.512 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](CC)CCCC 437500300 UVCIUNDGOUBDFE-INMHGKMJSA-N 281.440 3.690 30 20 CHED Cc1ccc(C)c(-c2cccc(C[C@H](C#N)CO)c2)c1 600845659 QQSKBJWWWFMQDY-MRXNPFEDSA-N 265.356 3.645 30 20 CHED CN(CCC#N)C(=O)c1cc2c(Cl)cccc2s1 603927634 MCYUEPNUWRCIGG-UHFFFAOYSA-N 278.764 3.540 30 20 CHED Cc1cc(F)cc(C(=O)Nc2scc(C)c2C#N)c1 344891183 JROMNNKEIFNTAV-UHFFFAOYSA-N 274.320 3.628 30 20 CHED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1cccc(O)c1 255668139 KBCHLGOFWNBBMF-PLNGDYQASA-N 278.229 3.706 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 448927924 ZFNVQEJVQCDCRJ-UGFHNGPFSA-N 290.794 3.847 30 20 CHED C[C@H](C#N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 601789774 DCDBSUQTJQMUMJ-WBMJQRKESA-N 288.366 3.723 30 20 CHED CC(C)CCc1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1 609147841 NVKYLPMZNIBKQZ-CQSZACIVSA-N 287.407 3.899 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)cc2)CCCC1 449043675 ZQXUESNBTIGCJN-UHFFFAOYSA-N 259.349 3.770 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccc(F)cc1F)C(C)(C)C 538223792 CIBFXPKQVCVJHH-XJKSGUPXSA-N 297.389 3.969 30 20 CHED CC[C@@H](C)[C@H](C)N(CCOc1ccc(C#N)cc1)C1CC1 609204231 BJUAMXGSJGWVJN-CABCVRRESA-N 286.419 3.836 30 20 CHED CCC(CC)N(C(=O)c1c(F)cc(C#N)cc1F)C1CC1 531266467 KFIQUMMVKSGSLX-UHFFFAOYSA-N 292.329 3.630 30 20 CHED C=CCSCCNC(=O)c1ccc2sccc2c1 357314681 RJKZRAVLSOMLDS-UHFFFAOYSA-N 277.414 3.550 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 608816369 CKUOHAZNJHRGOF-CQSZACIVSA-N 297.402 3.887 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)NCCCSCC#N 539223707 KBLLJTFIFBTJSK-CQSZACIVSA-N 292.448 3.771 30 20 CHED CC[C@]1(C)CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 356434901 YCEAFDSUPCPXSQ-FUHWJXTLSA-N 284.403 3.723 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(OC)c(F)c1 353421991 MMJMFAGLFQQOIU-UHFFFAOYSA-N 292.398 3.986 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCO[C@H](C3CC3)C2)n1 613430511 RHRZCMLHYSYFNE-CABCVRRESA-N 299.418 3.620 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCCC(C)(C)C2)C1 535888913 QBGFHUUJUMEXRM-KEYYUXOJSA-N 276.424 3.791 30 20 CHED CC(C)CC[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 618807172 SWBJDPYEZMNKRU-GUYCJALGSA-N 256.393 3.960 30 20 CHED Cc1cccc2c(N3C[C@H](C)[C@@H](C)C3)c(C#N)cnc12 610587451 WLDJNYHDMZCQLI-STQMWFEESA-N 265.360 3.507 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@H]2C2CC2)cc1C(F)(F)F 610577556 LIJJUODAVOKJRV-RYUDHWBXSA-N 294.276 3.562 30 20 CHED N#CC[C@H](CC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1 356463027 ZJADDZIIBVXNEN-QZTJIDSGSA-N 296.414 3.723 30 20 CHED C=C(CC)CNC(=O)N1CCC(c2ccccc2)CC1 455528750 XHSXXPDSGSNKPZ-UHFFFAOYSA-N 272.392 3.542 30 20 CHED C[C@@H](Nc1ccc2c(c1)ncn2C)c1ccc(C#N)c(F)c1 611483178 GRMXLJRCMAVUPO-LLVKDONJSA-N 294.333 3.757 30 20 CHED CCC(CC)CC(=O)NCc1ccc(C#N)c(Cl)c1 619763669 ONYWQPWCFLYYPR-UHFFFAOYSA-N 278.783 3.654 30 20 CHED CCCCCCCCC(=O)N(C)CCc1nccs1 269900820 XBRXCJVETXLFJO-UHFFFAOYSA-N 282.453 3.895 30 20 CHED C=C(C)CNC(=O)c1c(-c2cccc(Cl)c2)noc1C 360056120 QSXUSBZHSWRHEB-UHFFFAOYSA-N 290.750 3.609 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC[C@H]1C1CCCCC1 459262376 UYQPMSNVZHBNNU-HNNXBMFYSA-N 291.439 3.681 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(C)cc2)C1 617789985 ZIURNAHTROOFPT-MRXNPFEDSA-N 299.414 3.773 30 20 CHED C[C@H](CN[C@H]1CCc2cc(C#N)ccc21)C(C)(C)C 619846020 PNQKLWTYSXJYLK-WBMJQRKESA-N 256.393 3.817 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC(C3CCCC3)CC2)n1 610281874 UDYHHSJFKSGLMD-UHFFFAOYSA-N 283.419 3.977 30 20 CHED CC[C@@H](C)CCCCC(=O)N[C@@H](C#N)C(C)(C)C 612047630 NECIOCBDOJXQQY-OLZOCXBDSA-N 252.402 3.647 30 20 CHED CC[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)C1CCC(C)CC1 613125374 YIYZJDCXZJWMTP-OBQMCRIKSA-N 290.451 3.991 30 20 CHED C=CC(C)(C)CN=c1[nH]c(C(F)F)nc2ccccc12 450723736 JVUGQSVCWMSCKM-UHFFFAOYSA-N 277.318 3.613 30 20 CHED C=CCC[C@H](N[C@H]1CCc2nc(C)ncc2C1)c1ccco1 367603294 YWPQVSOXNZZBEV-RDJZCZTQSA-N 297.402 3.532 30 20 CHED C=CCC1(CNC(=O)c2sc(C)nc2C)CCCC1 456490100 WKEFQVCRECEVLT-UHFFFAOYSA-N 278.421 3.626 30 20 CHED C=CCCc1noc(C(C)(C)c2cccc(F)c2)n1 453237921 PKPXFEMISCGIFD-UHFFFAOYSA-N 260.312 3.653 30 20 CHED CC(C)C[C@@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)CCO1 272022414 NKKJNAXQJVYGLA-JCGIZDLHSA-N 286.419 3.803 30 20 CHED C=C(CC)CSCC(=O)Nc1cc(C)ccc1OC 540193247 JLOHWKFDKNADBI-UHFFFAOYSA-N 279.405 3.642 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1c(C(C)=O)ccc2ccccc12 622938807 GZNLZYSFHQUBTF-GOSISDBHSA-N 294.354 3.921 30 20 CHED C=CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)C(C)(C)C 622945165 VLAVBRNIBHWEQF-ZDUSSCGKSA-N 289.423 3.589 30 20 CHED Cc1cccc([C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)c1 544133618 UTHCETNXEXQOJI-OAHLLOKOSA-N 297.789 3.909 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)c1nc2ccccc2o1 540872273 NVCLOWPHMCHDTD-LLVKDONJSA-N 293.326 3.881 30 20 CHED C=C(CC)CNC(=O)N(C)C/C(C)=C\c1ccccc1 455520470 JIGSHTZBLBKAMK-PTNGSMBKSA-N 272.392 3.698 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccnc2C)CCCC1(C)C 278379325 LKYITWLROTWHDK-HNNXBMFYSA-N 272.392 3.597 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(CC#N)cc1Cl 452649062 SQEGOTYPPYIREA-JTQLQIEISA-N 264.756 3.781 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@H]2CCCC[C@@H]12 543185997 QTCTVPSZUCDVFM-JLSDUUJJSA-N 268.404 3.763 30 20 CHED FC1(F)CCCN(CC#Cc2cccc(Cl)c2)CC1 625770211 SAEZXDQUAWYNMY-UHFFFAOYSA-N 283.749 3.813 30 20 CHED CC[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C1CCCC1 456663994 QIYLHLIGFVXCAI-DYVFJYSZSA-N 284.403 3.747 30 20 CHED CCC1(c2ccccc2)CN(Cc2ccc(C#N)s2)C1 459762394 RPIGZXJOKQLIBC-UHFFFAOYSA-N 282.412 3.783 30 20 CHED C=CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 366958521 BMNZMEJCBHPMQM-OAHLLOKOSA-N 299.336 3.949 30 20 CHED N#CCCCc1nc(Cc2cccc3ccccc23)no1 361015256 AFUSGXPQDPBEED-UHFFFAOYSA-N 277.327 3.660 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1ccc(F)cc1C 548478544 UIRBGIMRWOFQEB-UHFFFAOYSA-N 295.423 3.792 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1OC(F)F 274628844 OGXDWIIEYJWLEO-QJPTWQEYSA-N 280.318 3.631 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(Cl)o2)no1)OCC 278006562 WWLZZRIBBTXYRY-SNVBAGLBSA-N 282.727 3.507 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(Cl)c1F 274290013 CAVXVXNBKYAQFD-AWEZNQCLSA-N 282.746 3.537 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3cccc(F)c3)C2)s1 271170540 QFGIPOQLTGHJAD-ZDUSSCGKSA-N 286.375 3.748 30 20 CHED C=CCCC(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 374961829 JCQSAMNVTNVMAI-OAHLLOKOSA-N 281.758 3.703 30 20 CHED C=CCCN(C)C(=O)NCC(C)(C)c1ccc(Cl)cc1 466974057 IYIYPBYIBKLDTE-UHFFFAOYSA-N 294.826 3.835 30 20 CHED C=CCCN(C)C(=O)NCc1c(OC)ccc2ccccc12 466982414 GXJBISLGTHRYPV-UHFFFAOYSA-N 298.386 3.566 30 20 CHED Cc1cc(F)ccc1-c1noc(-c2ccc(CC#N)cc2)n1 546503521 QPRLEOYPHBXKLD-UHFFFAOYSA-N 293.301 3.917 30 20 CHED CC[C@H](N[C@H]1CCCC[C@H]1OC)c1ccc(C#N)cc1 278768275 PAGOIVYLUUKCJI-YESZJQIVSA-N 272.392 3.557 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(CC#N)cc1 270311224 QYIAHHOUCVOHLP-UHFFFAOYSA-N 297.402 3.545 30 20 CHED C[C@H](CC(=O)Nc1cccc(C#N)c1)Cc1cccc(F)c1 467931470 MDOXGXRPKQLRLE-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3ccc(F)cc32)c1 547339671 KIFYKGYBWUFTFY-CQSZACIVSA-N 297.289 3.705 30 20 CHED N#Cc1c(F)cccc1N[C@H]1C[C@@H]1Cc1ccccc1 462885155 AWXLNCJSHLNQGY-GUYCJALGSA-N 266.319 3.740 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1 378140596 NUWWNLXUARSJNV-RDTXWAMCSA-N 296.414 3.742 30 20 CHED CCC(CC)CC(=O)N[C@](C)(C#N)C1CCCCC1 550748170 OUQBYKAUJIZUAD-MRXNPFEDSA-N 264.413 3.791 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ccc(CC#N)cc1 280418852 YTUZVLFWWFFKPA-INIZCTEOSA-N 258.365 3.908 30 20 CHED C=C(CC)CN(C)Cc1ccc(OC(F)F)c(OC)c1 557304836 AQWDZTJJCHAFRK-UHFFFAOYSA-N 285.334 3.695 30 20 CHED C[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)C1CCCCC1 464706549 FDJDNXSNWKJKGL-GXTWGEPZSA-N 264.413 3.647 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)CN(C)c2ccccc21 467517350 FXDVBBVAQVYKLC-HNNXBMFYSA-N 298.430 3.874 30 20 CHED Cc1cc(N2CCCCCC2)ccc1N[C@H](C)C#N 284910263 BEPGWRCXYRDIIZ-CQSZACIVSA-N 257.381 3.699 30 20 CHED C[C@@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)CCCC#N 287409581 FEICKUSRGVFXTO-ZDUSSCGKSA-N 293.432 3.764 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 465284131 IZWZHVXWRHWOMX-BXUZGUMPSA-N 278.371 3.787 30 20 CHED C=CCCCN1CCc2c(F)cc(F)cc2[C@H]1C 468124213 MPFAFVPQWGETCX-LLVKDONJSA-N 251.320 3.850 30 20 CHED CC#CCCCC(=O)N[C@H](CC)Cc1ccc(Cl)cc1 466640284 GYFQFWMGDZTEEE-MRXNPFEDSA-N 291.822 3.971 30 20 CHED CN(Cc1c(F)cccc1F)c1ccc(Cl)c(C#N)n1 555223660 LAHQHJJGHZJEDY-UHFFFAOYSA-N 293.704 3.521 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)c1ccc2nc(O)oc2c1 631737999 ZPKRKRQVZLGEKQ-AAEUAGOBSA-N 274.364 3.929 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc(Cl)c(F)cc1Cl 555657503 KUKDPUJEUVHLIT-LBPRGKRZSA-N 289.137 3.555 30 20 CHED N#Cc1ccc(CNC2(Cc3ccccc3)CC2)c(F)c1 479425502 PPCOSPSTWLWBBZ-UHFFFAOYSA-N 280.346 3.562 30 20 CHED C=CCCCCCCNC(=O)Cc1c[nH]c2ccccc12 386492621 ONSJYRDNWFCLPX-UHFFFAOYSA-N 284.403 3.963 30 20 CHED CC(C)c1cccc2c1CCN([C@H]1CC[C@@H](C#N)C1)C2 294672321 RWPUDVAQOPULRE-ZBFHGGJFSA-N 268.404 3.860 30 20 CHED C=CCCC1(C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 476126829 AQPQNACAKWMXAK-OAHLLOKOSA-N 287.403 3.625 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@H]2CCC[C@@H](C)C2)no1 559943976 CSYPVCPMNAYUGR-MFKMUULPSA-N 282.347 3.605 30 20 CHED CC#CCCCc1nc(Cc2ccc(OC(C)C)cc2)no1 809320797 LDEIJTZHQZXROF-UHFFFAOYSA-N 298.386 3.794 30 20 CHED C[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)C(C)(F)F 294158753 RIZHUTICUKKKBI-SNVBAGLBSA-N 280.318 3.718 30 20 CHED C#CCCc1noc([C@H](C)Cc2cncc3ccccc23)n1 809398130 QTWKLNZHWLICRL-CYBMUJFWSA-N 291.354 3.530 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)OC)c(C)cc1C 472821056 CEYIIBRSGHTGAF-QGZVFWFLSA-N 289.375 3.631 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CCc2ccccc2C1 474088418 KLGACCOJFRCYKK-QGZVFWFLSA-N 286.419 3.542 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)C1(c2ccccc2)CC1 808524253 ZZPDTXBBAOJZMT-AWEZNQCLSA-N 286.371 3.575 30 20 CHED N#Cc1ccc(NC(=O)[C@@]23CCC[C@@H]2C3)cc1C(F)(F)F 567342799 AWHSGKJDIJIBGY-QMTHXVAHSA-N 294.276 3.706 30 20 CHED CC[C@H](C#N)NC(=O)c1c(Cl)cc(Cl)cc1Cl 294526828 LEWQXAOSCOFATO-SSDOTTSWSA-N 291.565 3.679 30 20 CHED N#CCCCCNCc1ccc(Sc2ccccn2)o1 293131625 YZCQHCBAMBVBRY-UHFFFAOYSA-N 287.388 3.609 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)cn1 562383745 YXDKNUUHBGCLPS-ZDUSSCGKSA-N 291.354 3.892 30 20 CHED COCCCCc1cccnc1N[C@H]1CCC[C@H](C#N)C1 291142785 YEZDXRNBUKZQQV-HOCLYGCPSA-N 287.407 3.545 30 20 CHED C=CCC[C@H](O)CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 472588111 CMVALAIESZONAN-JQFCIGGWSA-N 277.383 3.536 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)C(C)(C)C 808482079 JHALIVFDPJYGQB-GFCCVEGCSA-N 298.308 3.875 30 20 CHED Cc1cc(C)cc(N(C)C(=O)[C@]2(C#N)CC23CCCC3)c1 294362909 HEKFJWRNQKLOAQ-GOSISDBHSA-N 282.387 3.740 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC[C@@H](C)CC1 564384790 YNVKFPHDGITEQP-CQSZACIVSA-N 288.439 3.748 30 20 CHED C=CCCCCNC(=O)[C@@H](CC)Oc1ccccc1C 471715191 RXLXJBXPTYWHAO-OAHLLOKOSA-N 275.392 3.625 30 20 CHED C=CC[C@@H](CO)CN[C@H]1CCCc2ccc(SC)cc21 567869454 ALYSWYJYCRJUFS-DYVFJYSZSA-N 291.460 3.560 30 20 CHED C=CCSCCNC(=O)c1oc2ccc(F)cc2c1C 299289224 CECXUNSKEOSYGC-UHFFFAOYSA-N 293.363 3.529 30 20 CHED C=CCCC[C@H](C)NC(=O)NCC1(C)CCC(OC)CC1 472117023 DIQKVWVKGAAQOZ-UQPPLGOBSA-N 296.455 3.626 30 20 CHED C#C[C@H](NCc1ccc(C)cc1-c1ccnn1C)C(C)(C)C 809780929 AQNGJLSJWJJZGN-SFHVURJKSA-N 295.430 3.533 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H]1CC(C)C 472835145 MQBHJAKIGIWWID-AWEZNQCLSA-N 252.402 3.563 30 20 CHED C=CCN(C(=O)CCCc1nccs1)c1ccccc1 647741692 CWAPYZPQHGMUQC-UHFFFAOYSA-N 286.400 3.685 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2C2CC2)no1 806556403 SAWXGIFXZSSNSD-HJWRWDBZSA-N 253.301 3.757 30 20 CHED C=CCCC(=O)O[C@@H]1CCc2cc(Cl)ccc21 803331425 ASSPAWQISHDTBX-CYBMUJFWSA-N 250.725 3.837 30 20 CHED C=CCC[C@@H](NCc1ccc(C#N)cn1)c1ccccc1 562047296 JTFKTISAYJZESR-GOSISDBHSA-N 277.371 3.750 30 20 CHED N#CCCNc1cc(Cl)ccc1OC[C@H]1CCCCO1 564867503 GGBGPKMPOGVCBV-CYBMUJFWSA-N 294.782 3.613 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](OC)c1ccccc1Cl 645802317 ODSQUNDMWLXVQG-CQSZACIVSA-N 295.810 3.746 30 20 CHED CC[C@H](C=NNc1ccc(C)cn1)c1ccccc1 814831876 VHYZYEKTMOGHMS-CQSZACIVSA-N 253.349 3.982 30 20 CHED C#C[C@@H](NC(=O)NCCC1CCC1)c1ccc(Cl)cc1 811893683 OIQLHAGSBKGWJC-OAHLLOKOSA-N 290.794 3.504 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CO[C@H]1CCCC[C@@H]1CC 488815246 AOZNPCBIMWKKMP-XHSDSOJGSA-N 279.424 3.539 30 20 CHED Cc1ccc2ncc(C#N)c(N3Cc4ccccc4C3)c2c1 488051796 AXXWSLFCEGNSPY-UHFFFAOYSA-N 285.350 3.935 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N(C)CC(C)(C)C#N 817618044 QSUIGHDFKHQGNX-WQLSENKSSA-N 290.794 3.751 30 20 CHED C#CCCCCN[C@H](C)c1cccc(C(F)(F)F)c1O 815595751 ADTAESFDPBTJOE-LLVKDONJSA-N 285.309 3.865 30 20 CHED CC(=NNc1cccc2ccccc12)c1c[nH]nc1C 814822823 GADOITSCSLFKKX-UHFFFAOYSA-N 264.332 3.707 30 20 CHED Cc1ccc([C@H]2CCCN2Cc2ccc(C#N)cn2)cc1 571891806 DKJHMYRHLSMIAL-GOSISDBHSA-N 277.371 3.599 30 20 CHED Cc1ncccc1/C=C1\C(=O)c2c(O)ccc(F)c2[C@H]1C 728785756 LVJUKQPDYKRQSH-RILYUOAZSA-N 283.302 3.618 30 20 CHED Fc1cccc(NN=C2COc3c(Cl)cccc32)c1F 814859573 ULLNHGHDAGEKMT-UHFFFAOYSA-N 294.688 3.827 30 20 CHED CC(=NOCCC1CC1)c1cnc2ccsc2c1 814245726 FNKKWOPLDOOXDF-UHFFFAOYSA-N 260.362 3.837 30 20 CHED CCC(=NNc1ccccc1C(=O)O)c1ccc(OC)cc1 812444370 FEQDCHRAWLLDKS-UHFFFAOYSA-N 298.342 3.620 30 20 CHED N#Cc1ccc(Oc2cc(C=O)cc(C(F)(F)F)c2)nc1 811860796 OHJXMOFRLUSVES-UHFFFAOYSA-N 292.216 3.577 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)[C@H]1CCCOC1 814863210 FKPRTPLSURQOLX-QGZVFWFLSA-N 294.398 3.856 30 20 CHED c1ccc([C@H]2CCC(=NOC3CCOCC3)C2)cc1 814906511 XXFCSRDGONZQHR-AWEZNQCLSA-N 259.349 3.506 30 20 CHED C#C[C@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)c1 816178865 JEEUNBYDNPUWEF-JTQLQIEISA-N 289.787 3.820 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(C(C)(C)C)nc1 816067480 NLAFBBSFWFFDKH-UHFFFAOYSA-N 283.318 3.634 30 20 CHED C=CC(C)(C)C(=O)NCc1cccc2ccsc12 650166118 LCSZVHRVRXNJJS-UHFFFAOYSA-N 259.374 3.730 30 20 CHED CCCC(=NNCc1cc(F)ccc1F)c1cccnc1 814809259 UITPCAJLKAIURB-UHFFFAOYSA-N 289.329 3.654 30 20 CHED Cc1cc(F)ccc1C=NNc1cnc2ccccc2n1 727256847 WHYGGWUYXUNHTJ-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C=CCCn1cc(CNc2cccc(SCC)c2)nn1 657410123 PHDVZFHIMXFACW-UHFFFAOYSA-N 288.420 3.578 30 20 CHED C=C(C)CCNCc1cn(-c2cccc(C)c2)nc1C 651821225 IEQWUJMXDIWPPB-UHFFFAOYSA-N 269.392 3.545 30 20 CHED C=CCCSCCNCc1ccc2ccccc2c1O 826915207 GMMQMEDCFBRATR-UHFFFAOYSA-N 287.428 3.944 30 20 CHED C[C@@H]1C[C@H]1[C@H](Nc1ccnc(C#N)n1)c1ccc(Cl)cc1 579374377 QKHHIJJJFYLLFV-CKUKBARFSA-N 298.777 3.811 30 20 CHED CC(C)(C)Oc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1C#N 824721748 IRMGVNJBNWSTOA-JSGCOSHPSA-N 283.375 3.840 30 20 CHED C[C@H](CC#N)Sc1ccccc1NCC1(O)CCCC1 570390999 SDDLLMOVSNCQAO-CYBMUJFWSA-N 290.432 3.798 30 20 CHED C=CC[C@@H](C(=O)NC1CC(C(F)(F)F)C1)c1ccccc1 571191352 UVRBFZOJMDIRBZ-JXQTWKCFSA-N 297.320 3.803 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(Cl)c(Cl)c1 660680131 BUKMFUWBSAYFJL-SECBINFHSA-N 287.190 3.757 30 20 CHED C=CCCNC(=O)Nc1ccccc1SC(F)(F)F 820147645 YUDNCCJMLGWJGN-UHFFFAOYSA-N 290.310 3.996 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 729072486 OEEPZULVIICLSB-CYBMUJFWSA-N 276.376 3.871 30 20 CHED Cc1cc([C@@H](C)NCC2(C#N)CCC2)cc(C)c1F 828698927 POUDQOOEVXWRAQ-CYBMUJFWSA-N 260.356 3.787 30 20 CHED CC[C@@H](NC[C@@H](C#N)CCC#N)C(C)(C)c1ccccc1 583626351 OCJGSTADKHTPKP-NVXWUHKLSA-N 283.419 3.776 30 20 CHED C/C=C/C=C\C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 492190724 OZOVHCKPCNWNSC-HOJFPOIOSA-N 295.367 3.753 30 20 CHED Cc1ccc(C=NOCC(=O)Nc2c(C)cccc2C)cc1 824670068 VGBARKDUKJLYIP-UHFFFAOYSA-N 296.370 3.601 30 20 CHED C#CCOc1cccc(OC(=O)c2ccc(SC)cc2)c1 730498307 SNEWAJJYRUOBMC-UHFFFAOYSA-N 298.363 3.640 30 20 CHED C#CC(C)(C)N(C)Cc1ccc(OCc2ccncc2)cc1 491209837 MJLZSXWKYNHAPJ-UHFFFAOYSA-N 294.398 3.504 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CCC(C)C)C(C)(C)C)cn1 734399237 HYNBEIOJVRZKNV-MRXNPFEDSA-N 286.419 3.644 30 20 CHED O=C(/C=C/c1ccccc1OC(F)(F)F)c1cncs1 735793227 UURZZEFNVUUFQO-AATRIKPKSA-N 299.273 3.938 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(OC)c(F)c1 665598783 OILDKHUVFGHDFW-UHFFFAOYSA-N 280.343 3.701 30 20 CHED CCCc1ccc(/C=C2/CCc3nc(O)ccc3C2=O)cc1 901485352 HOMZSENJYDKQOB-QINSGFPZSA-N 293.366 3.952 30 20 CHED Cc1cccc(C)c1COC(=O)[C@]1(C#N)CC12CCCC2 837904184 BAUOWAYYZMXTCR-GOSISDBHSA-N 283.371 3.821 30 20 CHED C=CCc1ccccc1OCc1cc(C2CC2)no1 663935407 JLXABYYFQRQVAA-UHFFFAOYSA-N 255.317 3.860 30 20 CHED C=CC[C@H]1CCCC[C@H]1NC1CCC(CC(=O)O)CC1 902348941 AIKCLGRZMHVVIC-BHDPWAOGSA-N 279.424 3.744 30 20 CHED CC(C)(C#N)CNc1ccnc2c(Cl)cccc12 588014717 OVNJDXJWRHZNBA-UHFFFAOYSA-N 259.740 3.850 30 20 CHED Cc1cc(C#N)cc(N2CCC[C@H]2CCc2ccccc2)n1 587352957 FRMWMPXCRQHNDZ-SFHVURJKSA-N 291.398 3.863 30 20 CHED CN(C(=O)CCCCCC#N)c1ccc(Cl)cc1F 588985766 FOHHBBXSYDCPAB-UHFFFAOYSA-N 282.746 3.916 30 20 CHED CCO[C@@H]1CC(=NN[C@@H](C)c2ccccc2)C1(C)C 736430286 UZAYEYAWZXKAQT-SWLSCSKDSA-N 260.381 3.528 30 20 CHED C=C[C@H](CC(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 839053636 JWZXNVTUITZPRB-ZMSDIMECSA-N 283.371 3.972 30 20 CHED CCCSCC(C)=NNc1oc(CC(C)C)nc1C#N 901179626 KGQCOWRXAVYUEJ-UHFFFAOYSA-N 294.424 3.676 30 20 CHED COc1cccc(/C=C\C(=O)c2ccccc2)c1F 588619087 MAFIBCXCHYNKDU-KHPPLWFESA-N 256.276 3.730 30 20 CHED C[C@@H](SCc1ccccc1)C(=O)OCCCCC#N 733866701 KMFNNTLDVUTKLF-CYBMUJFWSA-N 277.389 3.545 30 20 CHED CC[C@@H]1CCCN(c2snc(Cl)c2C#N)CC1 735302226 YLYVHVHYKYBIMQ-SECBINFHSA-N 269.801 3.685 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)c1c(C)n[nH]c1C)c1ccccc1 910069512 NRQZTTPHCYAMTC-SWLSCSKDSA-N 297.402 3.564 30 20 CHED C[C@H](CC#N)OC(=O)CCC(=O)c1ccc2ccccc2c1 733710963 OLVMKIZFRBJHTI-CYBMUJFWSA-N 295.338 3.648 30 20 CHED CCCCCCCCC(=O)N(CC(F)F)C1CC1 730235023 JPIMLMIGGVRALO-UHFFFAOYSA-N 261.356 3.993 30 20 CHED CC(=NNC[C@@H]1CCSC1)[C@H]1CCCC[C@H]1C 834980457 RGVIDGGAHQVBDK-XBFCOCLRSA-N 254.443 3.531 30 20 CHED C=C[C@H](CC(=O)OCCc1ccc(C)cn1)c1ccccc1 835906497 DEQXEFUNCJITHP-MRXNPFEDSA-N 295.382 3.836 30 20 CHED Cc1cnc(C2CCN([C@H](C#N)c3ccccc3)CC2)s1 595460066 SZQDPCBVVJLIJD-MRXNPFEDSA-N 297.427 3.896 30 20 CHED CC1(C)CCN(C(=O)c2ccc(C#N)s2)CC(C)(C)C1 598185078 JESFNVQDIAGSHU-UHFFFAOYSA-N 290.432 3.908 30 20 CHED COc1cccc(CN[C@H](C)c2ccc(C#N)cc2F)c1C 595104813 LVRWHHUPWQIGCL-CYBMUJFWSA-N 298.361 3.865 30 20 CHED CCc1nnc(COc2c(C)cc(Cl)cc2C#N)s1 591494114 XWJJFMYYSKZEGF-UHFFFAOYSA-N 293.779 3.513 30 20 CHED C1=CC[C@H](C=NNc2ccc3ccccc3n2)CC1 916286506 JAXCXZFWMIZCTR-ZDUSSCGKSA-N 251.333 3.989 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCCc1ccc(C#N)cc1 849795615 FDUVHYRNCNSUPZ-ZDUSSCGKSA-N 299.292 3.623 30 20 CHED CCCCC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 743519466 DABDNOOQXFGGMG-KGLIPLIRSA-N 287.407 3.887 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H](CO)[C@H]1C 840563533 MVWIRELHMZAULJ-CVEARBPZSA-N 283.456 3.747 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cn(C)nc2C)c(C)c1 849245766 MOKRNNCWKVRWQX-CLFYSBASSA-N 298.386 3.722 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@H]1CCC1CCCCC1 593537793 KOLGUQPBMAZGQU-JKSUJKDBSA-N 276.424 3.888 30 20 CHED CCCCCCO[C@@H](C)C(=O)[C@@H](C#N)c1nc(C)cs1 842281433 LSJSFHGJZPTNHX-QWHCGFSZSA-N 294.420 3.613 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)NCC(C)(C)C#N 599756207 IMTMMDVTFRDRGL-UHFFFAOYSA-N 282.343 3.535 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccnn1CC(C)C)C2=O 843269401 PVOLWKWTKYPFIX-GDNBJRDFSA-N 280.371 3.670 30 20 CHED CC(C)(C#N)C(=O)OCc1ccc(Cl)c(Cl)c1 915791153 QKIAOYLVGMFAQO-UHFFFAOYSA-N 272.131 3.586 30 20 CHED CCCCc1nnc(S)n1N=C(C)CCC=C(C)C 749156412 CUFHSNIBPRRHHP-UHFFFAOYSA-N 280.441 3.880 30 20 CHED C=CCn1c(=S)n(CN(C)CC2CC2)c2ccccc21 919941954 HQFBDPNPRXZYIN-UHFFFAOYSA-N 287.432 3.658 30 20 CHED C#CC[C@H](OC(=O)Cc1c(C)[nH]c2ccccc12)C(C)C 747192653 NDBWUHOCPGNWJX-KRWDZBQOSA-N 283.371 3.610 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@@H](C3CCCCC3)C2)C1 595881904 XNVOIIFNPHTOPZ-DJIMGWMZSA-N 260.425 3.971 30 20 CHED c1ccc2c(c1)SCCC2=NNc1nc2ccccc2[nH]1 915915771 LVUABAQFOUXYAS-UHFFFAOYSA-N 294.383 3.875 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(C2SCCS2)c1 845102330 UWHCYCGFAWPYDG-SNVBAGLBSA-N 292.429 3.653 30 20 CHED C#Cc1cccc(NC(=O)N(C)Cc2cccc(C)c2)c1 918029734 DPXQCSBHCCFGMP-UHFFFAOYSA-N 278.355 3.640 30 20 CHED CC[C@@H](C#N)C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 593745441 ZOJYJGNQUYOKQV-ZFWWWQNUSA-N 270.376 3.536 30 20 CHED C=CCN(C(=O)CCCc1ccc(F)cc1)C(C)C 846812229 TWZRDBJCMRAZJQ-UHFFFAOYSA-N 263.356 3.571 30 20 CHED C=CCCCOC(=O)/C=C\c1cnc(C(C)(C)C)s1 745677154 RLGRLZKHCWNRSY-HJWRWDBZSA-N 279.405 3.963 30 20 CHED CCCCCCCOC(=O)/C=C\c1ccc(OC)c(O)c1 919561398 JRTVTILTYGQGBB-LUAWRHEFSA-N 292.375 3.928 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccn1Cc1ccccc1 684987322 DSYCOBDVZOXKTE-MRXNPFEDSA-N 282.387 3.621 30 20 CHED N#C[C@@H](OC(=O)CC1(C#N)CCCCC1)C1CCCCC1 849907243 YQTFSMIDJGEGCS-OAHLLOKOSA-N 288.391 3.866 30 20 CHED C#CCCCC(=O)O[C@H](C#C)c1ccc(Cl)cc1F 842354324 WHMBNZKQLVTLBR-CQSZACIVSA-N 278.710 3.500 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 593392531 XDVUXSLYWOSZBF-OAHLLOKOSA-N 284.403 3.851 30 20 CHED CC(C)CN(C(=S)NC(C)(C)C)c1ccc(C#N)cc1 745688541 PDZOJONQFOIGQD-UHFFFAOYSA-N 289.448 3.694 30 20 CHED C[C@@H]1C[C@@H](NCc2cccc(-c3ccc(C#N)s3)c2)CO1 842682678 JHMUBTLXDSGARS-IUODEOHRSA-N 298.411 3.554 30 20 CHED CS[C@@H](C)CC(=O)OCCC1(C#N)CCCCC1 840374941 DGLZDEQKTQZKGP-LBPRGKRZSA-N 269.410 3.535 30 20 CHED CC[C@H](COC(=O)C1(C#N)CCCCC1)CC(F)F 845757594 FVCZYPAGVATNKC-NSHDSACASA-N 273.323 3.685 30 20 CHED COc1cc(CSCCO[C@H](C)C#N)ccc1Cl 842182040 BASAUWKNDULMHU-SNVBAGLBSA-N 285.796 3.510 30 20 CHED Cc1ccccc1C=NOCc1ccc(F)cc1F 753975123 UINDTWJRBPXGEY-UHFFFAOYSA-N 261.271 3.824 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)c1cnccc1C)c1ccccc1 681741053 HITOJDCZQIKOAZ-RDJZCZTQSA-N 294.398 3.927 30 20 CHED C=CCCONC(=O)c1cccc(NCC(C)(C)C)c1C 857330785 OBIOBWRZZHDMHI-UHFFFAOYSA-N 290.407 3.691 30 20 CHED CCOc1ccc(NN=Cc2cc(COC)cs2)cc1 853351981 BELUEHUTQNJSCM-UHFFFAOYSA-N 290.388 3.739 30 20 CHED CC(=NN(C)[C@H](C)CO)[C@@H](C)c1ccc(CC(C)C)cc1 853365930 AJCXRGYOAWZKRY-HUUCEWRRSA-N 290.451 3.677 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](CC=C)c1ccncc1 758489019 ZHUSBLOCUJUUAS-INIZCTEOSA-N 270.376 3.583 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1CC1CCCCC1 758888416 IINDUINNVZPWCI-QGZVFWFLSA-N 290.451 3.934 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCOc1ccccc1F 924664324 PMOQEQVDAYAWOQ-ZDUSSCGKSA-N 278.371 3.513 30 20 CHED C=CCN(C(=O)/C=C\c1ccc(SC)s1)C(C)C 859189906 KGUJXUWKFPCXSZ-VURMDHGXSA-N 281.446 3.906 30 20 CHED C[C@H]1Cc2cc(CNc3cccc(CC#N)c3)ccc2O1 922166566 GEJXGOXDBREHPF-ZDUSSCGKSA-N 278.355 3.688 30 20 CHED Clc1ccc2c(C=NO[C@H]3CCCCO3)c[nH]c2c1 755820648 XMCHPUHZTFUKER-AWEZNQCLSA-N 278.739 3.698 30 20 CHED CC(C)c1ccc(/C=C2\CCn3nccc3C2=O)cc1 853009772 PHEHQGFLUUJDHX-RVDMUPIBSA-N 266.344 3.677 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2ccc(F)c(F)c2)c1 757468622 SWCRKSCUOQVFPG-ZZXKWVIFSA-N 290.265 3.575 30 20 CHED CCCCCCCC(=O)N1CC(c2nc3ccccc3[nH]2)C1 757443072 BQBFAFHECCMELN-UHFFFAOYSA-N 299.418 3.849 30 20 CHED C=C[C@@H](OC(=O)[C@H]1CC12CCSCC2)c1ccccc1 851452540 UJBCEHCSVGIDFU-HUUCEWRRSA-N 288.412 3.990 30 20 CHED Cc1ccc2sc(COC(=O)CC(C)(C)C#N)nc2c1 859661478 YDICMACNJZRMLB-UHFFFAOYSA-N 288.372 3.588 30 20 CHED N#Cc1ccc(NN=Cc2cc(Cl)ccc2F)cc1 753696306 GEEZFNGTMOMNJI-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C#Cc1cccnc1N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 853635246 DHZWIAXCMQQYLT-BETUJISGSA-N 282.309 3.620 30 20 CHED Oc1ccc(-c2ccccc2)cc1C=NO[C@H]1CCCCO1 755821411 MCJHIXNNPZBTRE-SFHVURJKSA-N 297.354 3.936 30 20 CHED CC1(CC(=O)Nc2cc(C#N)ccc2O)CCCCC1 753815405 RVRQAVGCQVCPRT-UHFFFAOYSA-N 272.348 3.563 30 20 CHED COc1ccc(NN=Cc2ccc(OC(F)F)cc2)cc1 750926539 ZQQLNOXRZNHKHM-UHFFFAOYSA-N 292.285 3.743 30 20 CHED COc1cc(C=NN2CCCC[C@@H]2C)cc(Cl)c1OC 853381241 YRYJMAFLBNTKLB-NSHDSACASA-N 296.798 3.566 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccc(N)cc1C 758094082 OJIQNOGXBNFCAR-UHFFFAOYSA-N 290.370 3.962 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(-c2csc(C)n2)cc1 753945234 XPHILZGCDRPUNP-UHFFFAOYSA-N 299.399 3.652 30 20 CHED N#Cc1nc(N2CCC3(CCCC3)CC2)sc1Cl 853362318 VKFLHPABMFXWMB-UHFFFAOYSA-N 281.812 3.829 30 20 CHED Fc1ccc(C=NOCC(F)(F)F)cc1C(F)(F)F 755796132 JMOJWZDZLFBRRP-UHFFFAOYSA-N 289.150 3.757 30 20 CHED C[C@@H](c1cccnc1)N1CCC(c2ccc(C#N)cc2)CC1 933613059 QOWMRUUTYJGQGC-HNNXBMFYSA-N 291.398 3.894 30 20 CHED N#CC1CCC(CNc2nc3ccccc3nc2F)CC1 865756995 ICPWIOUEQJZNIK-UHFFFAOYSA-N 284.338 3.511 30 20 CHED CC[C@@H](C#N)Sc1nc2cc(Br)ccc2o1 863379110 OBINGDSGCJMODZ-QMMMGPOBSA-N 297.177 3.985 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCCc1ccsc1 766582224 VOMCAMSZCBLEOS-OAHLLOKOSA-N 278.421 3.515 30 20 CHED CCCCCCCc1nc(CNC(=O)OC(C)(C)C)no1 766910683 ZKFFBMTZGQZJGK-UHFFFAOYSA-N 297.399 3.607 30 20 CHED FC(F)(F)C(F)(F)CNN=Cc1ccc2occc2c1 863183143 MRUXFJVMZYAKBO-UHFFFAOYSA-N 292.207 3.554 30 20 CHED C=CCC[C@H](NC(=O)CCc1cc(C)on1)c1ccccc1 934996922 QIXNJSGLAFYMLS-KRWDZBQOSA-N 298.386 3.739 30 20 CHED N#CCCCCOC(=O)c1cc(C(F)(F)F)ccc1F 761187712 XYLIVOMENRFVPQ-UHFFFAOYSA-N 289.228 3.695 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2ccc(Cl)cc2)c1 765826700 SHAMBMCUAXVQPX-WTKPLQERSA-N 286.714 3.934 30 20 CHED Cc1cc(C)nc(NN=Cc2ccc(C)c(Cl)c2)n1 766424318 ITCGHXAMSJIFLY-UHFFFAOYSA-N 274.755 3.501 30 20 CHED CCOc1ccc(COC(=O)C(C#N)(CC)CC)c(C)c1 860862498 HHQMZPYYVXGKRE-UHFFFAOYSA-N 289.375 3.767 30 20 CHED Cc1cc(C)c(C=NNc2ncnc3sc(C)c(C)c23)[nH]1 760225644 FOSNPONZTIGHDF-UHFFFAOYSA-N 299.403 3.699 30 20 CHED C=CC(C)(C)CNC(=O)/C=C\c1ccc(SC)s1 861895433 FJXUXAVPZIDXKW-VURMDHGXSA-N 281.446 3.812 30 20 CHED C[C@H](C=NNc1ccc(OC(F)F)cc1)CCC#N 766012936 LHXADWWHEXIHPT-JTQLQIEISA-N 267.279 3.626 30 20 CHED Cc1cc(OC(=O)[C@@H]2CCCC2(C)C)ccc1C#N 765094685 QNTGSNAIXRQMMI-AWEZNQCLSA-N 257.333 3.598 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 767254441 JLXXUFUFPIQWCK-RISCZKNCSA-N 297.320 3.679 30 20 CHED C=C(C)CCNC(=O)c1ccc(SC(F)(F)F)o1 868700133 LVZWSQFPTKQZAF-UHFFFAOYSA-N 279.283 3.588 30 20 CHED Cc1cccnc1NN=Cc1ccc(F)c(C#N)c1Cl 761831632 SPHSFHIMWLJKEN-UHFFFAOYSA-N 288.713 3.500 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccs1 767363672 UIBGVVWOEIODBQ-UHFFFAOYSA-N 255.346 3.542 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1cccc(C#N)c1 53955311 JKPGWINRYSKNPG-GFCCVEGCSA-N 259.353 3.504 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 879427047 XRRUBTJPYRTEHS-MNOVXSKESA-N 277.330 3.778 30 20 CHED Cc1ccnc(NN=Cc2ccc(F)cc2C(F)(F)F)c1 771879057 UXCFQXIXNCIPBD-UHFFFAOYSA-N 297.255 3.994 30 20 CHED N#CC1(CC(=O)OCc2cccc(F)c2F)CCCCC1 1118478784 BFGLPUYNSBCPFS-UHFFFAOYSA-N 293.313 3.872 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc(C)cc(Cl)c1 775939308 QBOAPHXFWMXXJD-UHFFFAOYSA-N 299.757 3.913 30 20 CHED CC(C)CNN=Cc1cc(Br)ccc1Cl 771557383 DOQVPCOIFFNGSK-UHFFFAOYSA-N 289.604 3.682 30 20 CHED Cc1cc(CNc2cccc(C#N)c2)cnc1Cl 779574220 DBYVWNCDFJXYHU-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C#CCCCCc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 1116590610 BFGMUSZQJDZFQH-UHFFFAOYSA-N 299.330 3.608 30 20 CHED CCOCCON=C1CCCc2cc(SC)ccc21 774441039 ZTQLNLQMUMCAGY-UHFFFAOYSA-N 279.405 3.502 30 20 CHED N#Cc1cc(/C=C2/CCc3c(O)cccc3C2=O)ccc1F 770572896 UHVPOODZAYRNNM-WQLSENKSSA-N 293.297 3.615 30 20 CHED C#CCCCCCC(=O)NC[C@@H](CC)c1ccccc1 779745049 CMPCHKKQINKIHO-MRXNPFEDSA-N 271.404 3.880 30 20 CHED CC/C(C)=C\C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887700742 YFKYHXNEUGIZEC-OWBHPGMISA-N 282.387 3.621 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@H]1CCNc2ccccc21 1122077836 RGOSTNPMIVQQPG-CQSZACIVSA-N 286.419 3.837 30 20 CHED COc1ccc(CCC=NNc2cc(C)ccn2)c(C)c1 777439327 QYYWXAFIEYELGR-UHFFFAOYSA-N 283.375 3.738 30 20 CHED Cc1cccc2c(CCC(=O)OCCC(C)(C)C#N)c[nH]c12 776389092 HVZDDUMGADERDJ-UHFFFAOYSA-N 298.386 3.892 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(Cl)cn1 774373845 AIDMGBOZQYQZIT-NSHDSACASA-N 273.767 3.810 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 773585899 AREIOFTZDRUUJJ-KBPBESRZSA-N 287.378 3.854 30 20 CHED CC(C)c1nccnc1NN=C1CCSc2ccccc21 773078869 QJGUKNWIDWKQJU-UHFFFAOYSA-N 298.415 3.912 30 20 CHED C[C@@H]1C[C@H](CC/N=C\c2cc3ccccc3nc2O)CCO1 783685558 PBOGMELHFZARGN-ITTZRFAVSA-N 298.386 3.565 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1oc(C(C)C)nc1C 1120813768 MMHCCXYCUVFDLB-ZDUSSCGKSA-N 276.380 3.677 30 20 CHED N#Cc1cccc(C(=O)OCc2cc(F)ccc2Cl)c1 782236368 DYZYZJORKGGIQZ-UHFFFAOYSA-N 289.693 3.708 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)[C@@H]1CC12CCCC2 780038205 ZHLAXHNUJSCINQ-AWEZNQCLSA-N 289.762 3.835 30 20 CHED CC(=NNCCC(C)(C)C)c1c(C)nn(C(C)C)c1C 782902551 DEWCISBVBCUOQP-UHFFFAOYSA-N 278.444 3.831 30 20 CHED CCc1ccccc1NCc1ccc(C#N)cc1OC 83492948 UXUHWJZYNMTNID-UHFFFAOYSA-N 266.344 3.741 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccc2c(=O)[nH]ccc2c1 789069767 AYVFKGYZXWXKIN-JSGCOSHPSA-N 283.375 3.752 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2Cl)n(C)n1 789159468 NLHWEIVECRTNPM-ZZXKWVIFSA-N 295.169 3.931 30 20 CHED Cc1ccc(OC(=O)/C=C\c2ccccc2C#N)cc1F 789659370 CSCJCJFDNAFYHW-CLFYSBASSA-N 281.286 3.625 30 20 CHED C=C1CCC(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)CC1 897637592 JJWWNKCCORHQGY-SHTZXODSSA-N 287.378 3.934 30 20 CHED CC#CCCCC(=O)Nc1cc(Cl)nc(Cl)c1 787934828 KOGGZYLJHITUGK-UHFFFAOYSA-N 271.147 3.521 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cc(Cl)cs2)c1 782118515 CZFNAOAXQHWDGI-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C[C@@H]1Cc2cc(CN(CCC#N)Cc3ccco3)ccc2O1 891466045 YFULFJMCXIPOSV-CQSZACIVSA-N 296.370 3.519 30 20 CHED COC1(CNc2c(F)cc(C#N)cc2F)CCCCC1 302473501 WUDWGVYBXOJHMW-UHFFFAOYSA-N 280.318 3.598 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)c1nsc2ccccc12 892729600 ZDTRMAYAYIEXOL-UHFFFAOYSA-N 274.389 3.861 30 20 CHED C=CCC(C)(C)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 796464136 ZHFKYORZBUFJOM-LLVKDONJSA-N 277.320 3.801 30 20 CHED C=CCCCCNC(=O)c1cccc(Br)c1 390512723 CMPXPIOEIXUSTE-UHFFFAOYSA-N 282.181 3.535 30 20 CHED C=C(Cl)CN[C@H](C)c1nc(C(F)(F)F)cs1 274579134 IMMDLNVCSHZTPY-ZCFIWIBFSA-N 270.707 3.565 30 20 CHED Fc1cccc(NN=Cc2csc3ccccc23)n1 795006912 TUCBHLGZKNJUMT-UHFFFAOYSA-N 271.320 3.881 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C[C@H]1C=CCCC1 187850056 WWSSGTZBHQPPDT-AWEZNQCLSA-N 262.397 3.521 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1ccnn1-c1ccccc1 798373053 VNALGWVVKITFNO-MDZDMXLPSA-N 292.313 3.908 30 20 CHED Cc1ccc(CN(C)Cc2cccc(C#N)c2)cc1C 58006035 KWILCBGVCWBNBR-UHFFFAOYSA-N 264.372 3.807 30 20 CHED C#Cc1ccc(CN2CCC[C@@H]2c2ccc(COC)o2)cc1 798187165 UVQGQXDTCJFGHA-GOSISDBHSA-N 295.382 3.744 30 20 CHED C=CCNN=Cc1ccc(-c2ccc(F)cc2C)o1 794999178 ZPCZGIBXCORQGP-UHFFFAOYSA-N 258.296 3.504 30 20 CHED Cc1ccc(C(=O)Nc2cc(C)c(O)c(C)c2C)cc1C#N 799723199 ZVTZZTYONYVFOO-UHFFFAOYSA-N 294.354 3.750 30 20 CHED COc1ccc(C=NNCC2(C)CCCC2)c(Cl)c1 793081913 OUVDXZCODOXLAA-UHFFFAOYSA-N 280.799 3.852 30 20 CHED C#C[C@@H](CCC)NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 791737812 JJTCYYJALKWRGZ-LBPRGKRZSA-N 288.778 3.661 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2csc(C)n2)cc1 799636590 KNWLOCLKMALPAO-UHFFFAOYSA-N 292.791 3.601 30 20 CHED C=CCCCOC(=O)c1ccc(F)c(Br)c1 745571142 DHSOJKQFMCQHQH-UHFFFAOYSA-N 287.128 3.711 30 20 CHED CC(C)(C)c1ncc(CN2CCC[C@H](CC#N)C2)s1 597173632 LJLGXIZOWWXQPX-GFCCVEGCSA-N 277.437 3.566 30 20 CHED CC#CCCNC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 1320433346 UROWZBFBZQSXEO-HKUYNNGSSA-N 296.414 3.511 30 20 CHED CCCOc1ccc(OC(=O)CC#Cc2ccccc2)cc1 1322546189 CKGVOVPSHDDUNN-UHFFFAOYSA-N 294.350 3.823 30 20 CHED CC(C)CC1CCN(C(=O)c2csc(C#N)c2)CC1 1327981072 AGUZKQBMENYYLT-UHFFFAOYSA-N 276.405 3.518 30 20 CHED N#Cc1ccnc(/C=C/c2cc(F)c(F)cc2F)c1 1321824641 GGJVTZGZIDHMMB-OWOJBTEDSA-N 260.218 3.541 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C\c2cc(C#N)ccn2)cc1 1321293915 YLDRVLHLRVXWOG-SREVYHEPSA-N 286.338 3.822 30 20 CHED Cc1nc(S[C@H]2CCc3ccccc3C2)ccc1C#N 1186999386 LSGJYAHTLAVQEZ-INIZCTEOSA-N 280.396 3.911 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2F)C1 1337208595 ALZHSAXKCLIMRZ-ZDUSSCGKSA-N 288.366 3.596 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@@]1(C)CC1(Cl)Cl 1339153152 NNGOBDDWFSTNRK-AAEUAGOBSA-N 290.234 3.918 30 20 CHED C=C(C)CCC(=O)Nc1c(C)cc(OC)c(C)c1C 1337228665 OBNFDCJHUOMEEZ-UHFFFAOYSA-N 261.365 3.915 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H]1c1cccc(OC)c1 1263703583 YTBWCHQZEIFMIT-KRWDZBQOSA-N 287.403 3.961 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1cc2ccccc2[nH]1 1263765450 QBAHGEYAUNQZTA-UHFFFAOYSA-N 270.376 3.729 30 20 CHED Cc1cc(OC(=O)C2(c3cccc(C#N)c3)CC2)ccc1F 1344597216 UOROOFQICLVTIK-UHFFFAOYSA-N 295.313 3.643 30 20 CHED C=CCn1c([C@@H]2CCCC2(F)F)nnc1N(CC)C(C)C 1340505603 BONBERRYHNOKFP-LBPRGKRZSA-N 298.381 3.602 30 20 CHED C[C@]1(C(=O)O[C@@H](CC#N)c2ccco2)CCc2ccccc21 1345546825 GNUZRJCETSZIGX-WMZOPIPTSA-N 295.338 3.682 30 20 CHED CCn1c([C@@H](C)CCC#N)nnc1N(C)CCC(C)(C)C 1356545025 XVNWFFPPEJCUHF-ZDUSSCGKSA-N 291.443 3.578 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 1357812553 STQMOXSBEFVMHP-RDJZCZTQSA-N 291.366 3.518 30 20 CHED CCC[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 1521858395 KHDIMHKCDOJTDD-CJNGLKHVSA-N 285.391 3.593 30 20 CHED CCCC[C@@H](SCc1cccc(C#N)c1F)C(=O)O 1605252425 ZLAUDOHSFLPSGO-GFCCVEGCSA-N 281.352 3.574 30 20 CHED Cc1c(F)cc(C(=O)O)cc1OCCCC(C)(C)C#N 1607531750 KFEVSCVEQRVVQL-UHFFFAOYSA-N 279.311 3.541 30 20 CHED COc1cccc(Cl)c1NC(=O)c1sccc1C#N 1535668763 LBMVXWGWBAZKQJ-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC[C@H]1CN(Cc2ccc(CC#N)cc2)c2ccccc2O1 1473194692 IWYHEFLDSRAEBZ-KRWDZBQOSA-N 292.382 3.930 30 20 CHED N#Cc1cc(C(=O)Nc2cscc2Cl)ccc1F 1611008642 YDHAPGWRGPXTEU-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1sccc1NC(=O)c1cc2ccccc2n1CC#N 1544229080 LHSBQLACBVPDHL-UHFFFAOYSA-N 295.367 3.787 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1nc2ccccc2[nH]1 1473573549 PBBVZQXJLOSKEQ-ZDUSSCGKSA-N 290.370 3.628 30 20 CHED COC(=O)c1cc(CSc2cccc(C#N)c2)cs1 1559378446 CAAWQOPLJDJJAG-UHFFFAOYSA-N 289.381 3.699 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccccc2)cc1[N+](=O)[O-] 5129801 UXGWKTFEHXQMKP-CSKARUKUSA-N 267.284 3.799 30 20 CHED CCC[C@H]1CCCC[C@H]1Nc1cc(C#N)nc(CC)n1 1559096597 RGWMCGLKYRUQKY-GXTWGEPZSA-N 272.396 3.681 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1c(C)cccc1Cl 1639417716 DXPLIZAQLUSLTA-UHFFFAOYSA-N 299.761 3.814 30 20 CHED CCN(C[C@@](C)(CC)OC)[C@H](C)c1ccc(C#N)cc1 1560684837 BGLCWWFJGOVXHP-RHSMWYFYSA-N 274.408 3.756 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2C[C@H](OC(C)C)C2(C)C)c1 1560884789 HLQBWSXXVSZHQU-CVEARBPZSA-N 272.392 3.871 30 20 CHED C[C@H]1CSc2ccccc2N(Cc2cccc(C#N)n2)C1 1647044223 OGHKKETXLZYWFV-CYBMUJFWSA-N 295.411 3.702 30 20 CHED C=C(Cl)CN1CCC(Cc2ccc(F)c(F)c2)CC1 1658385280 INJYTEVZCNUUHQ-UHFFFAOYSA-N 285.765 3.972 30 20 CHED Cc1ccc([C@H]2CCN(c3cc(C)c(C#N)cn3)C2)c(C)c1 1655450408 IAMVAWOSWIMWFV-INIZCTEOSA-N 291.398 3.872 30 20 CHED C=CCCCCCN(C)[C@@H](C(=O)O)c1ccc(F)cc1 1588799840 LKHTZUSGKOPIIW-OAHLLOKOSA-N 279.355 3.630 30 20 CHED Cc1cc(N[C@H]2c3ccccc3CC[C@H]2C)ncc1C#N 1655319213 IQIKSZXPBVCMAD-KZULUSFZSA-N 277.371 3.997 30 20 CHED Cc1ccc(SCC(=O)Nc2ccc(C#N)cc2)s1 1652896524 NAGALLFRDGNBIL-UHFFFAOYSA-N 288.397 3.659 30 20 CHED CC[C@@H](C#N)C(=O)N1Cc2ccccc2-c2ccccc21 1583180384 RXQNMROIHZTKSB-ZDUSSCGKSA-N 276.339 3.750 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2cc(C#N)c(F)cc2F)CC[C@H]1C 1595652914 JDVYOIMMVXPMPR-VWYCJHECSA-N 292.329 3.847 30 20 CHED C[C@]1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCc2ccccc2C1 1596978433 NTAUJMPZDIORNF-BJZITVGISA-N 297.398 3.807 30 20 CHED CCC1(NC(=O)Nc2cc(F)cc(C#N)c2)CCCC1 1664072435 XINGXIGJQGZGRA-UHFFFAOYSA-N 275.327 3.542 30 20 CHED Cc1cccc(C[C@@H](C)NCCc2ccc(C#N)cc2)c1 1665229790 QNBRLWAZBPAGTC-MRXNPFEDSA-N 278.399 3.630 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)Nc1cc(F)cc(C#N)c1 1679891465 VYYZZKHWXCYLFF-GFCCVEGCSA-N 289.354 3.645 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)o2)c(C)c1 1776133223 QEKOYJSKHJLHBI-KZZDLZNXSA-N 296.322 3.890 30 20 CHED CC[C@H](NN=C1CCCCC[C@H]1c1ccccc1)C(=O)O 1776066851 HQKGVYGDXMGRMF-GJZGRUSLSA-N 288.391 3.543 30 20 CHED C=CC1CCN([C@@H](C(=O)O)c2ccc(F)c(Cl)c2)CC1 1776150146 HICDPODIFMDDLT-CQSZACIVSA-N 297.757 3.503 30 20 CHED Cc1ccc([C@H](CC(=O)O)/N=C(\O)[C@H]2CC=CCC2)cc1 13181611 FTCACNYGFFWKSQ-GJZGRUSLSA-N 287.359 3.824 30 20 CHED Cc1ccc([C@H](C)OC(=O)COc2ccc(C#N)cc2)cc1 16468080 TWKLJAONRHARIC-AWEZNQCLSA-N 295.338 3.550 30 20 CHED N#CCCCCSCc1nc(-c2ccccc2)no1 161211591 CNZNRYVCFOUZDH-UHFFFAOYSA-N 273.361 3.664 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CC1CCC(C)(C)CC1 158725583 YRTREKRGGUIXKY-CYBMUJFWSA-N 264.413 3.601 30 20 CHED C=CCN(Cc1cccs1)Cc1cnc2ccccn12 157433628 YZRMAXAGRZAVRA-UHFFFAOYSA-N 283.400 3.584 30 20 CHED N#CCc1ccc(NCc2cccc3c2NCCC3)cc1 159353596 FGHKABZFUNJDJJ-UHFFFAOYSA-N 277.371 3.723 30 20 CHED Cc1nc([C@H](C)Nc2ccc(OCC#N)cc2)c(C)s1 20126612 SOZUASLGRROZSR-JTQLQIEISA-N 287.388 3.835 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1ccc(C#N)cc1F 42316465 ZKBVQJBUYYJVNU-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C[C@H](CNc1cccc(OCC#N)c1)c1ccccc1 37069434 ZCTFATCOMUWWEM-CQSZACIVSA-N 266.344 3.805 30 20 CHED N#CCc1ccc(CN2CCC[C@H]2C2CCC2)cc1 343524141 ISUKBRAKRDAGAI-KRWDZBQOSA-N 254.377 3.517 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc(Cl)c(Cl)c1 179772251 IQBNMYKJBAWIOW-SECBINFHSA-N 287.190 3.863 30 20 CHED Cc1cc(C#N)cc(NCc2cc(C)ccc2F)c1 308103099 CADBQWKVXGKFKM-UHFFFAOYSA-N 254.308 3.926 30 20 CHED N#Cc1ccc(N2CCC(F)(F)CC2)cc1C(F)(F)F 404768423 HZJWBICEJGCHEE-UHFFFAOYSA-N 290.235 3.813 30 20 CHED N#Cc1cc(F)cc(NCc2cccc(O)c2Cl)c1 600859550 BJRWBAHGDQVENK-UHFFFAOYSA-N 276.698 3.668 30 20 CHED N#Cc1cccc(CCNCc2sccc2Cl)c1 466420867 HSWNAXPUJLQPGL-UHFFFAOYSA-N 276.792 3.605 30 20 CHED Cc1ccnc(N[C@@H](C)CCOCc2ccccc2)c1C#N 340981447 BCHITMWLPZQTGO-HNNXBMFYSA-N 295.386 3.669 30 20 CHED N#CCCC1CCN(CCCCC2CCOCC2)CC1 399280829 BDSHIMHJIHCQQI-UHFFFAOYSA-N 278.440 3.599 30 20 CHED Cc1ccc(C)c(/C=C2\COc3ccccc3C2=O)c1 3506213 HWENAVWLQXQMSU-XNTDXEJSSA-N 264.324 3.962 30 20 CHED C=CCNc1ncnc2sc(-c3ccccc3)cc12 6904943 YHXJEJZSYBTLIX-UHFFFAOYSA-N 267.357 3.956 30 20 CHED OC1=Nc2ccc(Cl)cc2/C1=N\OCc1ccccc1 11101868 XZIKQPJKVXSJJY-UHFFFAOYSA-N 286.718 3.863 30 20 CHED CC[C@@H](Nc1ccc(OCC#N)cc1)c1ccccc1O 20126529 PYCGKNDHPSZFIV-MRXNPFEDSA-N 282.343 3.858 30 20 CHED CC[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 26127434 NPJQYYYJXSXCGJ-KSSFIOAISA-N 292.382 3.929 30 20 CHED C#Cc1cccc(NC(=O)c2cc3c(s2)CCCC3)c1 41637004 IRXQAITXEKENHY-UHFFFAOYSA-N 281.380 3.861 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 42749062 WCGYAERXOWYDDF-QMMMGPOBSA-N 286.162 3.617 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 47549849 MQNIIGPEUFMGKR-UHFFFAOYSA-N 287.366 3.618 30 20 CHED CC(C)c1noc([C@H](C)Sc2ccc(C#N)cc2)n1 48512211 QEELDMLQDCNUEK-JTQLQIEISA-N 273.361 3.918 30 20 CHED CN(CCC#N)Cc1ccc(-c2ccccc2)cc1 52869777 CFZDMJDRQLMYEW-UHFFFAOYSA-N 250.345 3.699 30 20 CHED C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C#N)cc1Cl 59422218 HIFSEVNPLNWPDD-VXGBXAGGSA-N 262.784 3.975 30 20 CHED CC(C)(C)CC(=O)Nc1sc2c(c1C#N)CCCC2 60388795 RXJRFRVDSAGRQC-UHFFFAOYSA-N 276.405 3.873 30 20 CHED N#Cc1ccc(CNCCc2ccccc2Cl)cc1 62424563 DCDIHCPWSLHOTH-UHFFFAOYSA-N 270.763 3.544 30 20 CHED COc1ccc(CCNc2cc(Cl)ccc2C#N)cc1 62785189 HXLDPBKRPUTLHH-UHFFFAOYSA-N 286.762 3.875 30 20 CHED CCN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66953708 WNOZJLITRHYDRA-UHFFFAOYSA-N 295.342 3.834 30 20 CHED C=CCN(C(=O)c1ccc(Cl)nc1)c1ccccc1 71846223 NJXXSHRBHSXTII-UHFFFAOYSA-N 272.735 3.568 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cn2)cc1 72530213 UOQAPXCXLICHEP-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccncc1Cl 73079370 YAKBJAYTDBBDNH-UHFFFAOYSA-N 293.798 3.527 30 20 CHED CC(C)(C)c1ncc(/C=C2/Cc3c(O)cccc3C2=O)s1 78162224 WIWCLBKXGIEKND-YFHOEESVSA-N 299.395 3.969 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(CCCSCC#N)C1 80629363 DIQPOXVBDDYQPM-CJNGLKHVSA-N 292.423 3.855 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1cccc(OCCCC#N)c1 86675031 QYKLDFJISHZLKE-CJNGLKHVSA-N 258.365 3.970 30 20 CHED COc1ccccc1C[C@H](C)N(C)c1ccc(C#N)cc1 88203026 FSKLXNJXNJHYQY-AWEZNQCLSA-N 280.371 3.634 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(OC)c(C#N)c1 92224285 RRPRKHGVWJOZGS-QGZVFWFLSA-N 295.386 3.545 30 20 CHED Cc1ccc(N2C(=O)CSc3cc(C#N)ccc32)cc1 96028766 LCRMBVHFYPHHRD-UHFFFAOYSA-N 280.352 3.637 30 20 CHED CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H](C)C(C)C 103002506 JCYDKEKTXSPKSV-ZDUSSCGKSA-N 290.432 3.543 30 20 CHED C[C@H]1Cc2ccccc2N1c1cccc(F)c1C#N 104909869 NJULOJSHJACFDW-NSHDSACASA-N 252.292 3.780 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OC)c(Cl)c1 104976194 ZBYNMLDVCSSYOV-UHFFFAOYSA-N 282.771 3.779 30 20 CHED CCS[C@@H]1CCCCN(Cc2cc(C#N)ccc2F)C1 112088014 OXZRBYNRDRFXAL-OAHLLOKOSA-N 292.423 3.805 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)c1ccccn1 116592215 RTJMKCSPSDCZEA-ZBFHGGJFSA-N 278.355 3.760 30 20 CHED CCN(C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(C)C 119042131 AGARNKCYJHSQTL-DLBZAZTESA-N 299.418 3.608 30 20 CHED CC(C)CC(C)(C)CNC(=O)c1c(F)cc(C#N)cc1F 119436627 IVEGEISRJRRIQH-UHFFFAOYSA-N 294.345 3.639 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(C(C)(C)C)s1 126271603 WJLQWUVXOSQUAU-VIFPVBQESA-N 251.351 3.505 30 20 CHED CCCCc1noc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)n1 127505172 PFZIHURRXDPBNW-STQMWFEESA-N 298.390 3.696 30 20 CHED C=C(C)CCOC(=O)c1cnn(-c2ccccn2)c1C(C)C 130214273 YNMKJQABDFYYTA-UHFFFAOYSA-N 299.374 3.514 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 131649449 BWCTTZWRFLJUAK-ZWKOTPCHSA-N 299.414 3.791 30 20 CHED CC[C@@H](Nc1nccc(C)c1C#N)c1cccs1 135068888 ZSSUARVFDHIJEA-GFCCVEGCSA-N 257.362 3.886 30 20 CHED CN(C(=O)CCc1ccc(C#N)cc1)C1CCC(C)(C)CC1 152847631 RXCDWGDUAQQILC-UHFFFAOYSA-N 298.430 3.918 30 20 CHED N#CCC[C@H](NC(=O)c1ccc(Cl)nc1)c1ccccc1 153124138 IJHSWAQUAFNBJA-AWEZNQCLSA-N 299.761 3.510 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccc2ccccc2c1 154329821 RLLNPYBXXPZTHJ-HNNXBMFYSA-N 267.328 3.935 30 20 CHED Cc1cccc2c(CCC(=O)O[C@H](C#N)C(C)(C)C)c[nH]c12 154365916 NRTLXVKTAHMZPV-OAHLLOKOSA-N 298.386 3.890 30 20 CHED C#CCCCCNC(=O)Nc1cc(C(F)(F)F)ccc1C 154994260 KSLNIHVJMNIODK-UHFFFAOYSA-N 298.308 3.939 30 20 CHED COc1ccc([C@H]2CCCN2Cc2cc(C#N)cs2)cc1 155149457 QLALPCFDCVCQJY-QGZVFWFLSA-N 298.411 3.965 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(SC(F)F)c1 155986975 NGUAPSOBLVFYCL-VIFPVBQESA-N 299.346 3.815 30 20 CHED CCCCCCCCN1CCC(C(=O)NCCC)CC1 157403966 CLAZFMVGZLSATE-UHFFFAOYSA-N 282.472 3.585 30 20 CHED N#CCN1CCC(=Cc2cc(Cl)ccc2Cl)CC1 157617863 FOGFDYCRGUXGNP-UHFFFAOYSA-N 281.186 3.996 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2cccc(C#N)c2)n1 160091955 MCPBBWIIIKZQLT-GOSISDBHSA-N 277.371 3.599 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)Cc2cccc(F)c2)cc1 160461244 GQHXRWIBTBBXHS-AWEZNQCLSA-N 298.361 3.749 30 20 CHED Cc1ccc(Cl)c(NC(=O)C#Cc2ccccc2)c1 162235145 UFWORWARLUIODA-UHFFFAOYSA-N 269.731 3.639 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc2ccccc2c1O 168837355 ITKISFLADCWZJP-NSHDSACASA-N 261.752 3.949 30 20 CHED CO[C@@H](CNCC(C)(C)CCC#N)c1cccc(Cl)c1 174641835 QSTHSRLPAKWDCK-HNNXBMFYSA-N 294.826 3.947 30 20 CHED C=CCCCC(=O)Nc1ccc(Br)cc1 175194930 LRENRAWCYQMOSX-UHFFFAOYSA-N 268.154 3.744 30 20 CHED Cc1cc(CCCC(=O)OCCCC#N)c(C)s1 176247911 NGQDMJNCTAUJGS-UHFFFAOYSA-N 265.378 3.535 30 20 CHED CO[C@H](C)c1nc(CO/N=C/c2ccc(C)cc2)cs1 177540399 LCTULPPQFBNAAU-GGNJANJASA-N 290.388 3.710 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)/C=C/Sc2ccccc2)C1 179883414 YJTZEXLWDBTIMJ-VSONXHSHSA-N 273.357 3.528 30 20 CHED C=CC[C@H](C)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 180904339 HBBILPBQYACVCG-UONOGXRCSA-N 268.404 3.888 30 20 CHED COc1ccccc1[C@@H](CC(C)C)NCCCC#N 181716425 ILLMUJYBASQSAF-OAHLLOKOSA-N 260.381 3.676 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 182499045 GNGLOUMARVEFJC-XYPHTWIQSA-N 254.377 3.569 30 20 CHED Cc1cccc(OCc2ccc(C#N)cc2F)c1F 182973059 SGFGRZUQRGFCER-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC(C)(C#N)CCCN[C@@H](Cc1ccccc1)C1CC1 183385806 DYOHZHAPAPYZJR-KRWDZBQOSA-N 270.420 3.927 30 20 CHED N#Cc1csc(C(=O)Nc2cccc3ccc(O)cc23)c1 184060787 OYXDAEABAQFJOL-UHFFFAOYSA-N 294.335 3.731 30 20 CHED CCc1nc([C@H](C)NCc2ccc(F)c(C#N)c2)cs1 184737636 URKXSWIHJOALPW-JTQLQIEISA-N 289.379 3.567 30 20 CHED N#CCC(=O)Nc1cccc(CCCc2ccccc2)c1 184889019 LCVATOABCYLDLK-UHFFFAOYSA-N 278.355 3.714 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OCC)c2cccnc12 186057974 KESHOZZDJKAFRS-LBPRGKRZSA-N 299.374 3.720 30 20 CHED C=CCC[C@H](C(=O)N1CCSC[C@@H]1C)c1ccccc1 188179806 WGDWXPXUADEKCZ-HOCLYGCPSA-N 289.444 3.700 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1C=CCCC1 189132382 YKGJUERMZGPUBI-HNNXBMFYSA-N 262.397 3.521 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1ccc(C#N)cc1 191395480 AXTDYWQMRMEZQY-UHFFFAOYSA-N 279.343 3.551 30 20 CHED C=CCC1(C(=O)NCc2nccc3ccccc23)CCC1 191703529 NXDKMGDYSIBFLZ-UHFFFAOYSA-N 280.371 3.597 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1c(F)cccc1F 193757514 YVKYRTZUTIRGGI-NSHDSACASA-N 266.287 3.763 30 20 CHED COc1ccc(/C=C2/Cc3c(O)cccc3C2=O)cc1C 209664116 CYLYSHAXQSYDSP-LCYFTJDESA-N 280.323 3.532 30 20 CHED N#Cc1ccc(-c2nc(C3CCCCC3)no2)s1 226760564 IXHKWNIQYVKNLV-UHFFFAOYSA-N 259.334 3.717 30 20 CHED C[C@H]1CCCC[C@H]1CNCc1ccc(O[C@H](C)C#N)cc1 237554543 RRCOVKYOUWEIGF-UXLLHSPISA-N 286.419 3.893 30 20 CHED CCCC[C@@H](CC)C(=O)N(C)Cc1ccc(C#N)cc1 248029609 HQHIIDQNFKYHKC-MRXNPFEDSA-N 272.392 3.733 30 20 CHED COc1ccc(/C=C2\Cc3ccc(OC)cc3C2=O)cc1 255166749 ISYZNXVUHUZCOX-NTEUORMPSA-N 280.323 3.526 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(F)c(Cl)c1 255237693 GEBMKXOEYBUPBC-ALCCZGGFSA-N 292.741 3.726 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(OCC#N)cc2)cc1F 255502421 BJFKWJZCQZLCPI-WTKPLQERSA-N 295.313 3.933 30 20 CHED CCCCc1noc(CON=Cc2ccc(Cl)cc2)n1 255540816 GHMQADRZAWXTDI-UHFFFAOYSA-N 293.754 3.616 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1ccc(Cl)nc1 255668918 DMLCMBRHFFZVOD-CLTKARDFSA-N 261.683 3.770 30 20 CHED COCCC1(CNc2ncc(C#N)cc2Cl)CCCC1 268528010 WIWAZYBFXBFKRG-UHFFFAOYSA-N 293.798 3.615 30 20 CHED CCCCCCCCC(=O)Nc1cc(C)n(CCC#N)n1 271147637 SAYLJAQBPWOKPO-UHFFFAOYSA-N 290.411 3.794 30 20 CHED C#CC[C@@H](NCc1csc(CCC)n1)c1ccccc1 271649855 BBHNTBASMHMFRE-MRXNPFEDSA-N 284.428 3.950 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(Cl)c(F)c1 274280008 ACGQMTMHSIBNFX-AWEZNQCLSA-N 282.746 3.537 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)CC(C)(C)C#N)c(C)c1 278587088 STASIUJUWMBFJK-CQSZACIVSA-N 272.392 3.763 30 20 CHED CC1(c2ccccc2)CC(N[C@@H]2CCC[C@H](C#N)C2)C1 278693904 KQAHBSRPFDBCON-VFPGXZCRSA-N 268.404 3.779 30 20 CHED CC[C@H](CSC)N[C@H](CC)c1ccc(C#N)cc1 278699117 KWQMZVFQSGWFRN-HUUCEWRRSA-N 262.422 3.741 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CC(C)(C)C#N 279539602 SGBZAZJYLYYRMI-UHFFFAOYSA-N 270.376 3.531 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccn(C(C)C)n1 279612531 YDZGUMKDDSNXRK-UHFFFAOYSA-N 297.402 3.683 30 20 CHED CC#CCCCC(=O)Nc1nc(-c2ccccc2F)co1 280828807 KVBVIGNMXPNFAU-UHFFFAOYSA-N 286.306 3.613 30 20 CHED CC#CCCCC(=O)Nc1ccc(Cl)c(CN(C)C)c1 281486544 HBMMJLFILPOJLH-UHFFFAOYSA-N 292.810 3.534 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2CCC[C@H](C)C2)no1 288953266 PBLMOBGVQLQGAH-IGQOVBAYSA-N 276.380 3.812 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1 291027391 DZBXDHGBFVALKY-INIZCTEOSA-N 296.414 3.748 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H](CC)c1ccncc1 292782373 MAZLNVGZQYCUTI-HNNXBMFYSA-N 289.423 3.776 30 20 CHED CC[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 294513354 SQTKMMJYNZPELC-BEFAXECRSA-N 296.414 3.770 30 20 CHED C=C(C)[C@H](NCCc1cscn1)c1ccc(F)c(F)c1 295708837 KARQQUGACFVZSE-HNNXBMFYSA-N 294.370 3.871 30 20 CHED C=C(C)Cn1c(Nc2ccc(C)cc2)nnc1[C@@H]1CCCO1 295904430 GTXKBWKVXOXTHM-HNNXBMFYSA-N 298.390 3.758 30 20 CHED COc1cccc(-n2ccnc2S[C@@H](C)CCC#N)c1 298281912 LYLPRHWVIZQNDB-LBPRGKRZSA-N 287.388 3.665 30 20 CHED C[C@H](CCC#N)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 298368630 CSFVBEKPYIKONE-ZTFGCOKTSA-N 266.388 3.999 30 20 CHED CCN(C)Cc1cccc(CNc2ccc(C#N)cc2)c1 301122830 ONSSTBSMPDQKKL-UHFFFAOYSA-N 279.387 3.622 30 20 CHED CCOCc1ccc(CNc2ccc(C#N)cc2F)cc1 301145496 LGLJVWLTFUPVBL-UHFFFAOYSA-N 284.334 3.846 30 20 CHED C=C(C)CN1CCC(Nc2ccc(Cl)cc2C#N)CC1 301171504 KAVWTHXNMVQCPJ-UHFFFAOYSA-N 289.810 3.664 30 20 CHED C[C@H](CNc1cccc(F)c1C#N)Oc1ccccc1 301287942 PABFUPZDZFPBOK-GFCCVEGCSA-N 270.307 3.577 30 20 CHED CSc1cc(C)ccc1CNc1cccc(C#N)n1 301617171 WBVPHEKSTWRYMC-UHFFFAOYSA-N 269.373 3.596 30 20 CHED C#Cc1cccc(N(C)Cc2cccc(F)c2F)c1 303196840 NINKCKJAWUKQQV-UHFFFAOYSA-N 257.283 3.583 30 20 CHED Cc1cccc(C(C)(C)NC(=O)Nc2cccc(C#N)c2)c1 303777697 NWNHQCWPSXLYRJ-UHFFFAOYSA-N 293.370 3.924 30 20 CHED CCCCCCCCN/C(N)=N/Cc1ccsc1 303899977 RXSFOFOVPGGBCT-UHFFFAOYSA-N 267.442 3.513 30 20 CHED CCO[C@H]1C[C@H](Nc2cc(C)cc(C#N)c2)C12CCC2 308124894 YICRHZATVLMCPM-HOTGVXAUSA-N 270.376 3.626 30 20 CHED CCc1nc(C#N)cc(SCc2ccccc2C)n1 308279751 FRSDETZULZJCAA-UHFFFAOYSA-N 269.373 3.511 30 20 CHED CC[C@@H](C)[C@@H](C)NCc1ccc(Br)cc1C#N 310310475 TUTFVRLILQJQHF-GHMZBOCLSA-N 295.224 3.845 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)c2cc3nc[nH]c3cc2F)C1 329313281 QANNSTSCWJDHHS-ZJUUUORDSA-N 275.327 3.585 30 20 CHED N#Cc1cccc(N=C(O)CCN2CCC[C@@H](C3CC3)C2)c1 329676549 WFOYAWIOGRRFNV-MRXNPFEDSA-N 297.402 3.658 30 20 CHED OC1=N[C@H](C/C(O)=N/[C@@H]2C[C@H]2C2CCCCC2)CCC1 329685170 ZWGLWKVXWPFPPP-MELADBBJSA-N 278.396 3.811 30 20 CHED Cc1csc([C@@H](/N=C(/O)C2CCC(=O)CC2)C2CC2)n1 329915350 YFSSFMNEPKJSRR-ZDUSSCGKSA-N 292.404 3.618 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1c(F)cncc1F 334153343 OCJZAUPFVSPXKG-MRVPVSSYSA-N 277.249 3.544 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(C(F)F)c1Cl 334692646 WSDORBWSOULBGB-WPPNPWJKSA-N 284.693 3.766 30 20 CHED Cc1ccc(-c2nc(NC(=O)[C@H](C)C#N)sc2C)cc1 335150471 WAMHCMKERSNIQK-SNVBAGLBSA-N 285.372 3.525 30 20 CHED CC(C)c1ncc(/C=C/c2ccc(C#N)cn2)s1 336454833 OUFVTXHFJWEYGD-AATRIKPKSA-N 255.346 3.704 30 20 CHED N#Cc1cc(S[C@@H]2CCCc3ccccc32)ncn1 336483088 QJJFADOKKWUBBM-CQSZACIVSA-N 267.357 3.518 30 20 CHED Cc1cc([C@H](C)N=c2ccc(C#N)c(C)[nH]2)c(C)s1 336813324 UEUYCUISKNHGFX-NSHDSACASA-N 271.389 3.535 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(F)c(C#N)c1 341519046 AROBNVUMFNXCOK-LRDDRELGSA-N 288.366 3.738 30 20 CHED N#Cc1ccnc(SCc2csc(-c3ccoc3)n2)c1 341734787 JKVQRHRJSNFEJS-UHFFFAOYSA-N 299.380 3.962 30 20 CHED N#Cc1ccnc(Oc2ccc3ncccc3c2)c1Cl 341932943 UHRGATCUXBRNMF-UHFFFAOYSA-N 281.702 3.947 30 20 CHED C=CCC[C@H](NCC[C@H]1CCCN1C)c1ccccc1 341948607 VDDVTIFANFZAED-MSOLQXFVSA-N 272.436 3.768 30 20 CHED C=CCC[C@H](NCC[C@@H]1CCCN1C)c1ccccc1 341948611 VDDVTIFANFZAED-ROUUACIJSA-N 272.436 3.768 30 20 CHED N#CCc1ccc(CN(Cc2cccs2)C2CC2)cc1 342692709 KYBNBQZOKHDODW-UHFFFAOYSA-N 282.412 3.979 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCO[C@@H]1c1ccnn1C(C)C 344262144 PEQRGZDQCPHGHU-UXLLHSPISA-N 291.439 3.628 30 20 CHED N#CC1(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 347558627 KTFPVNBHCRAONG-UHFFFAOYSA-N 297.377 3.790 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cccc(F)c1F 348209463 YMPXIYBTFSXVSP-LLVKDONJSA-N 266.335 3.945 30 20 CHED N#CCN(C(=O)c1ccc(C(F)F)cc1)C1CCCC1 348467320 VCAGAYFGRJHWQL-UHFFFAOYSA-N 278.302 3.533 30 20 CHED CCOCCC1(CN[C@H]2CCc3ccc(C#N)cc32)CCC1 353244107 UAYLOYGBBJEPNP-SFHVURJKSA-N 298.430 3.732 30 20 CHED CN(Cc1cc2ccccc2o1)c1ncc(C#N)cc1Cl 353471116 GBQHHDDIUNZHGA-UHFFFAOYSA-N 297.745 3.989 30 20 CHED Cc1cnc([C@H](C)CN[C@@H]2CCc3ccc(C#N)cc32)s1 353661968 YYWTWONDMSZKSQ-BDJLRTHQSA-N 297.427 3.704 30 20 CHED CN(Cc1cc(Cl)cc2cccnc12)CC(C)(C)C#N 354033811 BCGOLINHVMESEV-UHFFFAOYSA-N 287.794 3.870 30 20 CHED CCN(CCC1CC1)C(=O)C[C@@H](CC#N)c1ccccc1 356805243 IUPAOBLXYJXVCL-QGZVFWFLSA-N 284.403 3.723 30 20 CHED C=CCOc1ccc(-c2nc([C@@H]3CCCS3)no2)cc1 357075635 NUKMTBWTGFXHHS-ZDUSSCGKSA-N 288.372 3.870 30 20 CHED COc1cc(F)c(F)cc1NCc1cccc(C#N)c1F 357183797 DGEUXMZAZOJZMS-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CCCN(CCC#N)[C@@H]1C[C@H](OCC)C12CCCCC2 357772847 DIQLTXOBMPPDMD-CVEARBPZSA-N 278.440 3.740 30 20 CHED CCc1cnccc1[C@H](C)NCc1ccc(F)cc1C#N 361137473 VTTQLJULFGRMQD-LBPRGKRZSA-N 283.350 3.506 30 20 CHED Cc1ccc2ccccc2c1CN(C)[C@@H](C)CC#N 361524031 IOEHWKMFLNNURI-AWEZNQCLSA-N 252.361 3.882 30 20 CHED COCCN(C[C@@H]1CC=CCC1)CC(C)(C)CCC#N 361679371 VGICQWCZGDIYPM-MRXNPFEDSA-N 278.440 3.621 30 20 CHED Cn1cc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1C#N 369168165 YALBSMOPSYQORZ-KOMQPUFPSA-N 299.805 3.586 30 20 CHED CC1(C)CN(Cc2cc(F)ccc2C#N)[C@H]2CCC[C@H]21 378846670 STQXWGHQSFBLEA-CVEARBPZSA-N 272.367 3.708 30 20 CHED COc1cc(CNc2ccsc2Cl)ccc1C#N 387353691 YYQCSNQRURQZTD-UHFFFAOYSA-N 278.764 3.894 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc(C#N)c2)c1 410041333 IVDHOCWSHPUAHO-CQSZACIVSA-N 278.355 3.666 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)CCc1ccccc1F 410141791 IOPCEWQFIQDHLU-HIFRSBDPSA-N 277.383 3.865 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)c1ccc(F)cc1 410142750 ZOCZTACHBNQLLN-WFASDCNBSA-N 263.356 3.790 30 20 CHED CC(C)(C)c1csc(NC(=O)[C@H]2CC2(F)F)c1C#N 410932565 UPJYTXABEMEKGQ-MRVPVSSYSA-N 284.331 3.511 30 20 CHED C[C@H]1C[C@@H](C)Cc2sc(NC(=O)C3=CCC3)c(C#N)c21 411007960 HOUBRHSMHMDBIU-ZJUUUORDSA-N 286.400 3.964 30 20 CHED COc1ccc(Cl)cc1[C@H](C)NCC(C)(C)CC#N 414166621 NZJYNXJJHDUROI-NSHDSACASA-N 280.799 3.939 30 20 CHED C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(/C=C/C)cc1 424536568 VPEMZRJBRJJICM-DBLORFJXSA-N 271.360 3.639 30 20 CHED CCOC1CC(CSCc2cccc(F)c2C#N)C1 427716382 XPMDNJFHPVISAI-UHFFFAOYSA-N 279.380 3.746 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCCC1(C)C 428346732 IAFQMADBNPUBAL-AWEZNQCLSA-N 266.429 3.953 30 20 CHED C=CCN(C)C(=O)NC1CCC(c2ccc(F)cc2)CC1 430307723 RKJNJYYPGNNHTG-UHFFFAOYSA-N 290.382 3.679 30 20 CHED Cc1cc(C)cc(NCC#Cc2ccc(F)cc2)c1 433414851 YNFGJGSANPUMPZ-UHFFFAOYSA-N 253.320 3.906 30 20 CHED CC(C)c1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 434018368 ZKRXAGJOEHBPFF-MRXNPFEDSA-N 284.403 3.964 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CC1CCC(C)(C)CC1 437489208 GODQQVRODXOABX-NVXWUHKLSA-N 293.451 3.690 30 20 CHED CCSCC[C@@H](C)N(C)CC#Cc1ccc(F)cc1 440368732 UJDVPDJXINHUFL-CQSZACIVSA-N 279.424 3.641 30 20 CHED N#Cc1cnc(C(=O)Nc2ccc3ccoc3c2)c(Cl)c1 442811624 PCBVVCGMYPQXNK-UHFFFAOYSA-N 297.701 3.605 30 20 CHED Cc1cc(CNC[C@@H](c2cccnc2)C(C)C)ccc1C#N 443984025 SDRDYVLJDOYCSB-LJQANCHMSA-N 293.414 3.791 30 20 CHED Cc1ccc(O[C@@H](C)CNCc2ccc(C#N)c(C)c2)cc1 444003325 SLGRTEVOIJOGQQ-INIZCTEOSA-N 294.398 3.732 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2ncc(C)s2)CCCC1(C)C 444646737 SYHLJGVRLZEJFW-ZDUSSCGKSA-N 292.448 3.587 30 20 CHED CC(C)(C#N)CCCCN[C@@H]1CC(C)(C)OC1(C)C 444683282 FHLLDLVGMJCABZ-CYBMUJFWSA-N 266.429 3.642 30 20 CHED C=C(C)CCNC(=O)CCSc1ccc(Cl)cc1 448551115 SGIPOHMXSYNHBS-UHFFFAOYSA-N 283.824 3.905 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1C[C@@]1(C)c1ccccc1 448907484 CQZNXNIKTJXVGJ-HKUYNNGSSA-N 298.430 3.753 30 20 CHED C=CCC[C@@H](C)N1CCC=C(c2cn(C(C)C)nn2)CC1 449468484 DRCLMNBDWRLMHS-OAHLLOKOSA-N 288.439 3.693 30 20 CHED C=CC(C)(C)CN[C@H](C)CC(=O)Nc1ccc(C)cc1C 449485504 NGRWZAWDLJFOPG-OAHLLOKOSA-N 288.435 3.822 30 20 CHED C=CCC1(C(=O)Nc2cc(C#N)ccc2C)CCCC1 449815567 QZQPQKGDSYPFPA-UHFFFAOYSA-N 268.360 3.942 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 449898049 OJDIPRLPXHYCJT-RISCZKNCSA-N 295.810 3.744 30 20 CHED N#Cc1cccc(Cl)c1NCc1cnc(C2CC2)o1 450903087 AEBLUQQPZFOHSM-UHFFFAOYSA-N 273.723 3.689 30 20 CHED C=C(C)CCc1noc([C@H](C)OCc2ccc(F)cc2)n1 453188339 WMDUEUXGWDQLQD-LBPRGKRZSA-N 290.338 3.995 30 20 CHED C=CCCc1noc(-c2ccc(OCCC)cc2OC)n1 453216696 IBCFELCOZAZXIM-UHFFFAOYSA-N 288.347 3.653 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 455316796 WDUNJQYVUPZBKS-HOCLYGCPSA-N 272.392 3.540 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1)c1ccccc1 456317470 XXXBARRYWHMIJD-HEFCMCLBSA-N 295.426 3.993 30 20 CHED C=C(C)C[C@H](C)C(=O)NC1CCc2ccccc2CC1 456461459 QGULHAJGUFXUSE-AWEZNQCLSA-N 271.404 3.653 30 20 CHED C=C(CC)CNC(=O)[C@H](C)c1cccc(Br)c1 456811810 KPKYHAZNIJELHZ-LLVKDONJSA-N 296.208 3.635 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2ccc(C#N)cc2F)C1(C)C 463477438 XJAWHUTWJUZNBZ-GJZGRUSLSA-N 276.355 3.701 30 20 CHED C=C[C@H](C)NC(=O)N(CCC)Cc1c(F)cccc1Cl 464758713 YQXHTJAITOLETA-NSHDSACASA-N 298.789 3.975 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1Cc1ccccc1Cl 464759047 UYLPXWBEJNIWMX-JSGCOSHPSA-N 292.810 3.631 30 20 CHED Cn1c(SCc2cc(F)ccc2C#N)nc2ccccc21 469065217 WWYKPOGDVUQRJK-UHFFFAOYSA-N 297.358 3.876 30 20 CHED C=CCOCCCN(C)Cc1ccc2ccccc2c1 470721970 GFAHKUAYVZZRJA-UHFFFAOYSA-N 269.388 3.864 30 20 CHED C=CCCCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C 471578640 SJVTWAZKNPZLBV-ZDUSSCGKSA-N 262.353 3.910 30 20 CHED C=CCn1c(SC[C@@H]2CC[C@H](C)O2)nc2ccccc21 473402948 SOHYDOPMAIEHAQ-STQMWFEESA-N 288.416 3.882 30 20 CHED CCC[C@H](CC)S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C 477050982 TUADJKPHAHMTGB-VNHYZAJKSA-N 284.469 3.741 30 20 CHED CC(C)(CNc1ccc(C#N)c(Cl)c1)CN1CCCC1 478048391 VUMNWIHXSQTCSM-UHFFFAOYSA-N 291.826 3.746 30 20 CHED C=CCCCC(=O)N[C@H](c1ccc(C)cc1)C1CC1 479524358 GXFBDNRYYREAKD-QGZVFWFLSA-N 257.377 3.919 30 20 CHED C=CCCCCCN(C)[C@@H]1CCc2ccccc2NC1=O 483963032 XOIFGTCRQAFDDO-QGZVFWFLSA-N 286.419 3.618 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(CC)c1 486418973 LTBOWEJIBOMJOR-AWEZNQCLSA-N 276.355 3.961 30 20 CHED CC[C@H](Nc1ccc(Cl)c(C#N)n1)C(C)(C)C 486964513 HYPJGXBYVFANNT-NSHDSACASA-N 251.761 3.843 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCOc1ccc(F)cc1 487535925 ITFWQIMPKYQXTQ-CQSZACIVSA-N 298.361 3.769 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(/C=C\C)cc1 487969277 PKGWKSVVESKIAE-DDJMYBDESA-N 286.419 3.945 30 20 CHED C=CCN(C)CCOC(c1ccccc1)c1ccccc1 494704673 VZJIVOOTFXRLMB-UHFFFAOYSA-N 281.399 3.910 30 20 CHED C=CCN(Cc1ccccc1F)C[C@H]1CCSC1 495151686 RBXILFGQJMVEME-CYBMUJFWSA-N 265.397 3.567 30 20 CHED CC[C@@H](C(=O)N(C)CC(C)(C)C#N)C1CCC(C)CC1 497278666 WKQPZIFZXGDXQK-YMAMQOFZSA-N 278.440 3.847 30 20 CHED C=CCCO[C@H](C)C(=O)NCc1ccc(C(C)(C)C)cc1 499065076 PADLDGVWLJWCIT-CQSZACIVSA-N 289.419 3.582 30 20 CHED CC(C)[C@H]1CCCN1Cc1cccc(OCCCC#N)c1 507114932 DBQHADGBHDVNMY-GOSISDBHSA-N 286.419 3.990 30 20 CHED C=CCOCCCN(C1CC1)[C@H](C)c1ccccc1 512247479 ZVKDNPBBVNXLJG-OAHLLOKOSA-N 259.393 3.805 30 20 CHED C=CCOc1cccc(CN[C@H]2CC[C@H](C)CC2)c1 521338468 MQMHPHQJOJKEJA-KOMQPUFPSA-N 259.393 3.920 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](C)C(C)(C)C 522336929 YRYQWGCNBXYYPS-HNNXBMFYSA-N 273.420 3.926 30 20 CHED C[C@@H](CN(C)C(=O)Cc1ccc(C#N)cc1)C1CCCCC1 530037777 DMLHFCQRMZMLFJ-HNNXBMFYSA-N 298.430 3.776 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)Cc1ccsc1 532334264 CPYVBRWPOZUCQT-GFCCVEGCSA-N 263.406 3.564 30 20 CHED Cc1cc(F)ccc1N(CC#N)Cc1ccc(C#N)cc1 533064654 FYGMNGCKWMEQJD-UHFFFAOYSA-N 279.318 3.536 30 20 CHED CC(C)(C#N)CCN1CCC[C@H]1Cc1ccc(F)cc1 537385876 RNUPKWHUDCVLBI-INIZCTEOSA-N 274.383 3.772 30 20 CHED C=C(CC)CSc1n[nH]c(/C=C\c2ccc(C)o2)n1 538011183 GXXCERKGDFNZKL-FPLPWBNLSA-N 275.377 3.935 30 20 CHED CC(C)CN1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1 539506810 DWCYLDAGECJZMA-VQIMIIECSA-N 299.462 3.719 30 20 CHED C=C(C)CN1CCC(CCN(CC)CC(C)C)CC1 540196663 GVPHHQGRGDQHSU-UHFFFAOYSA-N 266.473 3.643 30 20 CHED Cc1ccccc1CCCN1CCC(CC#N)CC1 541948052 CYRUBQSDAZTYII-UHFFFAOYSA-N 256.393 3.553 30 20 CHED C=CCSCCNC(=O)N(C)CCC1CCCCC1 542817263 VJEGOXHCCCOCER-UHFFFAOYSA-N 284.469 3.517 30 20 CHED CO[C@@H](C)CSc1nc(-c2ccccc2)ccc1C#N 542937603 XBFYQCGGXZMVKQ-LBPRGKRZSA-N 284.384 3.747 30 20 CHED C=C(C)[C@H](CC(=O)NCc1ccc(Cl)c(C)c1)OCC 543500154 DVZCEDYDVIYBGG-HNNXBMFYSA-N 295.810 3.636 30 20 CHED Cc1cccc(C)c1[C@H](C)NCc1ccc(C#N)o1 545558398 UCONKEFFKZAYHF-ZDUSSCGKSA-N 254.333 3.619 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C(CC)CC)C1CC1 545960895 ARIXLZVGWQOIIV-GFCCVEGCSA-N 252.402 3.704 30 20 CHED CC[C@H](CC(F)(F)F)Nc1cccc(F)c1C#N 546182052 MKQDHZRUAOPVSW-MRVPVSSYSA-N 260.234 3.840 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1cccc(F)c1 551291586 UYPMUOQNYVPNQI-UHFFFAOYSA-N 277.383 3.822 30 20 CHED C=CCC[C@H](NCC1CCN(CC)CC1)c1ccco1 554586524 ZYZYGSDRCNVTGC-INIZCTEOSA-N 276.424 3.608 30 20 CHED C=CCCCCN(C)CCc1nc(-c2ccccc2)no1 556258747 MQQVYXDTBOYBHI-UHFFFAOYSA-N 285.391 3.567 30 20 CHED CC[C@H]1CN(c2ccnc(C#N)c2)CC[C@H]1c1ccccc1 561263094 PJHUCSBRZKILNI-HNAYVOBHSA-N 291.398 3.973 30 20 CHED CCCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C 563367361 OWNWMJRIVYGRAO-UHFFFAOYSA-N 296.418 3.579 30 20 CHED CC[C@@H](CC#N)NCCCSCc1ccccc1 563368001 SVONHYUCHPTRCC-HNNXBMFYSA-N 262.422 3.592 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)Cc1ccccc1 563665165 NJKMFGQGTNMTGO-DLBZAZTESA-N 271.404 3.822 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(C(C)(C)C2=CCCCC2)no1 565463574 WQKZFSVETYIZLO-BZNIZROVSA-N 271.364 3.649 30 20 CHED Cc1cc(C)cc(NC(=O)CSCC2(C#N)CCC2)c1 567150409 UGMSDSUVZQRWIP-UHFFFAOYSA-N 288.416 3.669 30 20 CHED C[C@](C#N)(NC(=O)c1ccccc1Cl)C1CCCCC1 567420404 NCOCQZJZCNJQCE-MRXNPFEDSA-N 290.794 3.932 30 20 CHED N#Cc1cc(N[C@@H](CC2CCC2)c2ccccc2)ncn1 567431877 HBEPYUDQXAYRLA-INIZCTEOSA-N 278.359 3.692 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC1(C2CC2)CC1 569056526 BYMCGZRZQYDSGR-QGZVFWFLSA-N 266.388 3.858 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)c1cscc1C#N 569832309 BGNLAAYSHWADHZ-VXGBXAGGSA-N 290.432 3.954 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1cc(C#N)c2ccccc2n1 573910283 WHRJASGLQDEJCE-STQMWFEESA-N 293.370 3.871 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[C@H](C)CC1 574642325 OGVOSRTVEHXRGS-DZKIICNBSA-N 284.403 3.904 30 20 CHED Cc1nsc(Oc2ccc(Cl)cc2F)c1C#N 576901275 RESRHEYUJRJGKT-UHFFFAOYSA-N 268.700 3.908 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccc(C)c(F)c2)cc1 577212163 WRUBUNBTHQRWFH-KRWDZBQOSA-N 296.345 3.691 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cccc(-n3ccnc3)c2)no1 577420341 DPCGVXKWUHQIDB-KRWDZBQOSA-N 294.358 3.776 30 20 CHED CC(C)CC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 578163422 NBOCGZYLSZJVQA-DLBZAZTESA-N 296.414 3.604 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](c2ccncc2)C1 583543655 IGAUHMKUJZCXCH-KSSFIOAISA-N 277.371 3.504 30 20 CHED N#CCCCS[C@@H]1CCCN(Cc2ccccc2)C1 583564620 ZEDLLTUJZCUOHB-MRXNPFEDSA-N 274.433 3.688 30 20 CHED C=CCCCCN1[C@H](C(=O)O)CC[C@H]1c1ccccc1 583945639 BMAGKEYFEVGGFQ-HOTGVXAUSA-N 273.376 3.633 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 584121001 ZKRDNQLEOYEVGY-KBXCAEBGSA-N 296.414 3.558 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(C)c(C)c2)c1 588476522 QCKFWVYBKBWMIX-SREVYHEPSA-N 251.329 3.903 30 20 CHED CC(C)(C)OCc1ccc(NC(=O)CCCC#N)cc1 589706448 CWKMSYBHMDGCEC-UHFFFAOYSA-N 274.364 3.634 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC(C2CC2)CC1 589874145 ZSURQPKQVYCTAR-UHFFFAOYSA-N 260.768 3.838 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc3nc(C(F)(F)F)oc3c2)C1 592524728 ZMZYOVYCZJMJSR-DTWKUNHWSA-N 295.264 3.951 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCCCC3)C1 593273659 KQUROPIRXLIVIK-XJKSGUPXSA-N 297.402 3.769 30 20 CHED COC[C@@H](CC(C)(C)C)N[C@H]1CCc2cc(C#N)ccc21 593621821 SZBCTYFDLMTQEP-WBVHZDCISA-N 286.419 3.586 30 20 CHED CCC1(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CCCCC1 594040784 HHVIBGGALWZHCH-HNNXBMFYSA-N 298.430 3.966 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CC=CC1 595336509 ZKGZMIOOLLFQIJ-ZWKOTPCHSA-N 266.388 3.724 30 20 CHED N#CC1(c2ccc(CN3CC[C@@H]4CCC[C@@H]43)cc2)CC1 597093165 YGQJRAXRVWLGQJ-RDJZCZTQSA-N 266.388 3.616 30 20 CHED C=CCCSCCNC(=O)Cc1cccc(C2CC2)c1 597973364 BMRYBJDGFKQJGA-UHFFFAOYSA-N 289.444 3.532 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H](C2CCCCC2)C1 598469935 QDSRZOYVAIOGLQ-OAHLLOKOSA-N 276.424 3.745 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(C)cc(OC)c1C 599843924 RHMDGQYANOYADG-UHFFFAOYSA-N 274.364 3.581 30 20 CHED N#Cc1cccc(CSCc2noc(C3CCC3)n2)c1 600653431 KWFKROLENAVYQG-UHFFFAOYSA-N 285.372 3.642 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1C[C@@]1(C)C(C)C 602387947 UFFKDJBZCFSMSY-PBHICJAKSA-N 288.366 3.673 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCSc2ccccc21 602506520 YNBVKCNQJPWLQK-TZMCWYRMSA-N 260.406 3.753 30 20 CHED CC1(F)CCN(CCC2(C#N)CCCCC2)CC1 602992742 DZFWBKZEXCGCFD-UHFFFAOYSA-N 252.377 3.675 30 20 CHED C=CCCNc1ccccc1C(=O)Nc1ccc(OC)cc1 608015012 FUOBKDUIPMTRPP-UHFFFAOYSA-N 296.370 3.936 30 20 CHED CC1CCC(C)(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 609207420 YNQTWHOUHSQFJC-FVRSWCFKSA-N 299.418 3.887 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1Cc1ccc(C#N)cc1F 610003883 MIXRDTJKVFBAOJ-LBPRGKRZSA-N 298.336 3.956 30 20 CHED Cc1ccc(F)c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 610317623 JYASWOQQXGXHCL-LBPRGKRZSA-N 297.333 3.889 30 20 CHED CC[C@@H](C)CCCCC(=O)N1CCC[C@](C)(C#N)C1 612251120 NECNOJFUBDAMHG-GDBMZVCRSA-N 264.413 3.745 30 20 CHED Cc1nc(N[C@H]2CCc3cc(C#N)ccc32)sc1C 618694134 ZHQZBZIQUJQYEY-AWEZNQCLSA-N 269.373 3.731 30 20 CHED C=CCC1(NC(=O)CSc2ccccc2)CCCC1 619105457 GFGPDKAQVWRUDJ-UHFFFAOYSA-N 275.417 3.784 30 20 CHED C=CCC1(NC(=O)Cc2ccsc2C)CCCC1 619110245 BUIOPKNNBAXKJS-UHFFFAOYSA-N 263.406 3.604 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OCCC)c(F)c1 627046727 HXGFLGJOTJLOCJ-UHFFFAOYSA-N 280.343 3.654 30 20 CHED C=CC(C)(C)C(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 648134279 CDMCFIDEMSJMNR-UHFFFAOYSA-N 282.387 3.573 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](C)CSc1ccccc1 650227990 QFXMVBHUOHTFBK-HNNXBMFYSA-N 289.444 3.819 30 20 CHED C=CCC1(NCc2ccnn2CC2CC2)CCCCC1 657484821 VCRUFICLVZINQB-UHFFFAOYSA-N 273.424 3.662 30 20 CHED C=CCC1(NC2CCC(C(F)F)CC2)CCOCC1 668550718 FBGNGAWAHFVBGR-UHFFFAOYSA-N 273.367 3.525 30 20 CHED C=C(CNC(=O)c1cccc(F)c1Cl)c1ccccc1 672481227 OLBJUYZOIGRTKS-UHFFFAOYSA-N 289.737 3.922 30 20 CHED C=CCC[C@@H](NCc1ccccn1)c1ccccc1 676422063 RKCBYOKFNDOLDQ-QGZVFWFLSA-N 252.361 3.879 30 20 CHED C=CCCC[C@H](C)NC(=O)CNc1cccc(Cl)c1 678894374 CCMGJSBNXOOZHZ-LBPRGKRZSA-N 280.799 3.613 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCc3ccccc3C2)CCC1 682902181 DJLOTINWAFMMJP-HNNXBMFYSA-N 283.415 3.654 30 20 CHED C=C[C@@](C)(CCOC)c1nc([C@@H](C)C(C)(C)C)no1 685315262 DUAFMJUBRRBORV-ABAIWWIYSA-N 266.385 3.699 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](C)[C@@H](CO)C1 700436501 ITHWQAHJYBOETI-JKSUJKDBSA-N 283.456 3.604 30 20 CHED COc1ccc2c(c1)CCCN2Cc1ccc(F)cc1C#N 728570002 ZRBWLJVVFZGTIU-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C=CCCOC(=O)c1cc2c(OC(F)F)cccc2[nH]1 729072303 DNAFPRIBAXFLGZ-UHFFFAOYSA-N 281.258 3.502 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O[C@H](C)C#N 730635280 JTRLSBIUGYJWIH-DTWKUNHWSA-N 286.158 3.627 30 20 CHED Cc1ccc2c(c1)C(=NNc1cccc([N+](=O)[O-])c1)CC2 730945978 XDQWNJUXYOOBRH-UHFFFAOYSA-N 281.315 3.666 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1C 731155872 WADAPJDFTVOLMG-VURMDHGXSA-N 280.323 3.928 30 20 CHED C#CCOc1ccc(CN[C@H]2CCc3cc(C)ccc32)cc1 733325940 AAPHPCMNNLHNPI-FQEVSTJZSA-N 291.394 3.784 30 20 CHED CSCc1c(C(=O)O[C@H](C)CC#N)oc2ccccc12 733710631 FRHMBPIDTDHIEB-SNVBAGLBSA-N 289.356 3.755 30 20 CHED N#C[C@H](C(=O)CCC1CC1)c1ccc2ccccc2n1 734706216 WASABXSHSIGXEG-AWEZNQCLSA-N 264.328 3.601 30 20 CHED CCC/C=C\C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 735203734 LXUNGSKTQIIJIO-XTXQVDMPSA-N 294.354 3.724 30 20 CHED C=CCCCOC(=O)CCCc1ccc(OC)cc1 735533156 UKFCDGWFTOMAQT-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)/C=C\c1ccccc1C#N 737593795 ZBNICOYXFAYRFD-LMVHURLUSA-N 296.414 3.999 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1cccc(C)c1 741764141 VKMBXRYFTFBTFK-UHFFFAOYSA-N 274.755 3.583 30 20 CHED CCC(=NNc1nc2ccccc2s1)[C@@H]1CCOC1 741837470 KRZVRICUXZORSR-SNVBAGLBSA-N 275.377 3.511 30 20 CHED C=C(Cl)CSc1nnc(CCc2ccccc2)o1 742460919 IRHUJYXOZVTXSL-UHFFFAOYSA-N 280.780 3.699 30 20 CHED CC[C@H](C)C[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O 743041706 BZWAIPJRHFAIFJ-FPQVCSMYSA-N 264.325 3.544 30 20 CHED C[C@@H](NC(=S)Nc1ccccc1)c1cccc(C#N)c1 743059360 FJSYVVSLPBAYBP-GFCCVEGCSA-N 281.384 3.606 30 20 CHED C[C@H](N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(C#N)cc1 743473606 OSRANMPWQYLGEI-RZAIGCCYSA-N 280.346 3.904 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 745900071 WEQPSHWCHUHIMJ-AEFFLSMTSA-N 298.430 3.891 30 20 CHED CC(=NOCc1cccnc1)[C@H](C)c1ccccc1 746586247 UJOVUFNJWWMWJY-ZDUSSCGKSA-N 254.333 3.778 30 20 CHED C=CCCC(=NNc1ccc(C(=O)O)cc1)C1CC1 747735565 BQPCRESGWYNVBT-UHFFFAOYSA-N 258.321 3.529 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1cnc2ccccc2n1 747751936 UAPOSDCHZNOPKU-LBPRGKRZSA-N 268.364 3.854 30 20 CHED C=CCN(C(=O)N[C@H](CCC)CCCC)C(C)C 748979074 SPKVOHIPUWNZAF-CQSZACIVSA-N 254.418 3.951 30 20 CHED N#CCC[C@H](NC(=O)C=C1CCCC1)c1ccccc1 749046463 WLXRCSCKRWTKRU-INIZCTEOSA-N 268.360 3.648 30 20 CHED CC(C)=CCCC(C)=NNc1cccc(C(=O)O)c1 749157587 JTEAFRUTZHOGDU-UHFFFAOYSA-N 260.337 3.919 30 20 CHED Oc1cccc(/C=N\Cc2ccc(F)c(Cl)c2)c1O 750949949 KQPOFOTZVCIMOZ-IUXPMGMMSA-N 279.698 3.509 30 20 CHED CCOC(=O)c1ccc(/C=C2\Cc3c(C)cccc3C2=O)o1 751514765 WHEVMHYMMSXMFP-FMIVXFBMSA-N 296.322 3.587 30 20 CHED Cc1ccc(C)c(COC(=O)c2cc(C#N)cs2)c1 752590642 LFKYLCMEGFOWKL-UHFFFAOYSA-N 271.341 3.594 30 20 CHED CCCCCCCCNC(=O)c1scnc1CC 754850912 PXHUECRMNWCYMJ-UHFFFAOYSA-N 268.426 3.796 30 20 CHED CC[C@](C)(NCc1ccccc1C#N)c1ccccc1 756025897 NRSWCCWVGZYQPF-SFHVURJKSA-N 264.372 3.973 30 20 CHED COCCC(=NNc1ccc(Cl)cc1)C(C)C 756816954 ZRHMTSPCNWXPAQ-UHFFFAOYSA-N 254.761 3.800 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C/c1ccccc1 759608534 KXPUJEDJHOZPBP-PKNBQFBNSA-N 291.354 3.642 30 20 CHED COc1cccc2c1C/C(=C\c1ccccc1C)C2=O 759653504 RPKQXNXOQRZXMA-GXDHUFHOSA-N 264.324 3.826 30 20 CHED Cc1nc(Cl)cc(NN=Cc2cccc(Cl)c2F)n1 759666034 KOUOYNXLVVAUOY-UHFFFAOYSA-N 299.136 3.677 30 20 CHED CCC(CC)(CC)C(=O)Nc1ccc(F)cc1OCC#N 760790638 ZBZQHTJKDXVICA-UHFFFAOYSA-N 292.354 3.883 30 20 CHED C#CCCc1noc(CSCc2ccc(Cl)cc2)n1 761998774 GMDMHHPKTNLBLO-UHFFFAOYSA-N 292.791 3.722 30 20 CHED C#CCCc1noc([C@H](C)c2ccccc2C(F)(F)F)n1 762018183 XJDAJMCEAIOZRC-SNVBAGLBSA-N 294.276 3.806 30 20 CHED C#CCCCCc1nc(-c2ccc(NC(C)(C)C)cn2)no1 762402800 DSSLXESKPDMILM-UHFFFAOYSA-N 298.390 3.688 30 20 CHED Clc1cc(C=NNc2ccccn2)c2ncccc2c1 763126352 BPKMMMZCISSMHO-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C#CCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 764236609 WPZACGKGCJSZFS-UHFFFAOYSA-N 292.357 3.723 30 20 CHED COc1ccsc1/C=C\C(=O)c1cccc(C#N)c1 764434533 ZVZONHIESFSYTI-WAYWQWQTSA-N 269.325 3.524 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccc(F)c([N+](=O)[O-])c1 766028588 CTJDDVHLRMHIAR-VIFPVBQESA-N 279.315 3.958 30 20 CHED C[C@H]1CC(=NNc2nc3ccccc3[nH]2)CC[C@H]1C 767357630 IJOUSULPKYCPGW-MNOVXSKESA-N 256.353 3.787 30 20 CHED CC#CCCCC(=O)OCc1cccc(Cl)c1 767673948 ZVGKBLKHJOXUQW-UHFFFAOYSA-N 250.725 3.577 30 20 CHED CCc1ncsc1C(=O)OCCCCC(C)(C)C#N 768796026 YOCZULUMDNFOJR-UHFFFAOYSA-N 280.393 3.582 30 20 CHED COc1ccsc1/C=C\C(=O)c1sccc1OC 769744034 DVNPFPVZZMMLSM-ARJAWSKDSA-N 280.370 3.723 30 20 CHED Cc1ncc(C=NNc2c(F)cccc2Cl)s1 769827117 NZRCUCWHACTDCD-UHFFFAOYSA-N 269.732 3.690 30 20 CHED CC(=NNc1c(C)cccc1F)c1cc(C)ccc1O 769839527 DLQGJGQAQRHTMG-UHFFFAOYSA-N 272.323 3.984 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCc3ccc(Cl)cc32)C1 769846884 QUPOZLZEUSMEKY-RIEGTJTDSA-N 260.768 3.609 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c(O)c1 770572143 MHHUMGUMQCYJPY-QPJJXVBHSA-N 281.286 3.608 30 20 CHED C#CC[C@H](Nc1noc(-c2ccccc2)n1)c1ccccc1 771756535 NSFHFCWNOPCWLE-INIZCTEOSA-N 289.338 3.913 30 20 CHED C=CCN(C(=O)/C=C(/C)c1cccc(Cl)c1)C1CC1 771818926 NTCRZFQUZCZZPS-BENRWUELSA-N 275.779 3.920 30 20 CHED C#C[C@@H](C)NC(=O)c1sc2cccc(C)c2c1Cl 772974299 CKGWRXVINBLQOB-SECBINFHSA-N 277.776 3.615 30 20 CHED C=C(Cl)CN[C@H](CC)c1cc(C)ccc1OC 773004250 JHDKRBPYVTWJJS-CYBMUJFWSA-N 253.773 3.797 30 20 CHED C=C(CC)COC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 773521880 ZAJHFYITXVBITJ-GFCCVEGCSA-N 278.323 3.544 30 20 CHED C=C(CC)COC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 773540910 NKPJHKQSDBRONK-UHFFFAOYSA-N 277.364 3.772 30 20 CHED C(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(-c2cccnc2)c1 774597597 RVRJCRRHHLEYGI-UCLAIMLFSA-N 291.398 3.861 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OC/C=C\c1ccccc1 775071393 AFKJYNPFZQGENQ-NEBWXRHNSA-N 289.334 3.828 30 20 CHED C[C@H]1C[C@H](CC(=O)OCC2(C#N)CC2)CC(C)(C)C1 775854928 JNNUHZOJBNRVBZ-QWHCGFSZSA-N 263.381 3.686 30 20 CHED CC[C@H](C)c1ccc(C(=O)OCC2(C#N)CC2)cc1 775864676 QLKCYYWWYGIXRF-LBPRGKRZSA-N 257.333 3.661 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cccc(COC)c1 776190825 ZEOWAMHBNVXBGO-FPLPWBNLSA-N 281.355 3.687 30 20 CHED C[C@@H](OC(=O)Cc1ccccc1CC#N)c1ccccc1 776747250 REOARMRJPXKFCK-CQSZACIVSA-N 279.339 3.600 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccnc(Cl)c1 777251066 VEKITSLYUUTVLX-GFCCVEGCSA-N 297.789 3.947 30 20 CHED N#Cc1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)c[nH]1 779196167 MVOXXRYXIWJIKW-UHFFFAOYSA-N 295.125 3.550 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1ccccc1O[C@H](C)C#N 780148492 GIOQXWICCLRHQZ-NPRUJURCSA-N 272.348 3.662 30 20 CHED O=C(O)c1cccc(NN=Cc2sccc2Cl)c1 782111133 NEAUXDGQPUHGKL-UHFFFAOYSA-N 280.736 3.546 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccnc(Cl)c1 782194451 OWXWKWJHORNALZ-OWOJBTEDSA-N 279.673 3.909 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc2ccsc2[nH]1 782288757 RTNHNEOMHDCYAD-UHFFFAOYSA-N 276.361 3.716 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cc(Cl)ccc1[N+](=O)[O-] 782299031 FDMBWJYITYOSOK-ZDUSSCGKSA-N 295.770 3.750 30 20 CHED Cc1ccc(F)c(N)c1C(=O)O[C@@H](C)c1ccc(C#N)cc1 783123678 MMIUWWDGGAZAJS-NSHDSACASA-N 298.317 3.506 30 20 CHED CCC(=NNc1ccc(C#N)c(Cl)c1)C1CCOCC1 783877392 JMGFGRSNNRIUBA-UHFFFAOYSA-N 291.782 3.816 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1CO[C@H](C)C1 784072758 YFBLWCVOHGPBTA-CABCVRRESA-N 269.429 3.620 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)OCCCC(C)(C)C#N 784811208 XWUWKHWKQNNYDZ-IUODEOHRSA-N 251.370 3.542 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1cnc2ccccc2c1 786374401 NWTKOTRLKKKNCL-GFCCVEGCSA-N 282.343 3.779 30 20 CHED CC(C)CC[C@H]1CCCC1=NNCCc1ccccn1 789105068 KZWVRKVWCCCDAD-OAHLLOKOSA-N 273.424 3.806 30 20 CHED C/C=C(\CC)C(=O)[C@H](C#N)c1ccc2ccccc2n1 789337707 YBWLGLQWWYFFAM-PTJFDQCRSA-N 264.328 3.767 30 20 CHED Cn1ccnc1NN=C1CCC[C@@H]1c1ccc(Cl)cc1 790299256 AHECISPUNSQYTE-CYBMUJFWSA-N 288.782 3.809 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H](c2ccccc2)CC1 791070098 QUELXZCUTZVGOY-ROUUACIJSA-N 298.430 3.768 30 20 CHED C=CCOC(=O)/C=C\c1ccc2cc(OC)ccc2c1 791460664 PGRXLJUUOBYCCK-UITAMQMPSA-N 268.312 3.591 30 20 CHED CC(CN1Cc2ccccc2C1)=NNc1ccc(C)cc1 792632253 UZZMDXNTXTVMSN-UHFFFAOYSA-N 279.387 3.799 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@@H](C(C)C)C2)n1 794446938 FEVULVYDPUQTJQ-CYBMUJFWSA-N 260.385 3.708 30 20 CHED Cc1cc(C)c2c(c1)C(=NNc1cccc(F)n1)CCCO2 795007479 HFZWAAPMGINEDP-UHFFFAOYSA-N 299.349 3.826 30 20 CHED COCCCON=C1C[C@H](C(C)C)c2ccccc21 795051627 XDIZTRGZZURVEB-OAHLLOKOSA-N 261.365 3.587 30 20 CHED CC#CCCOc1ccccc1CNC(=O)OC(C)(C)C 795228936 QBCMGJIMURVBMG-UHFFFAOYSA-N 289.375 3.504 30 20 CHED Cc1ccnc(COC(=O)C[C@H](CC#N)c2ccccc2)c1 795982885 IZOZLFMODBPQLU-INIZCTEOSA-N 294.354 3.521 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1ccc(SC)cc1 796462781 HEIGHOITEMDWSW-UHFFFAOYSA-N 292.400 3.737 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1c(F)cccc1Cl 797885493 XLROHVPURZIKGH-UHFFFAOYSA-N 293.681 3.609 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H](C)c1ccccc1F 797886774 VXJYBBKWJJDMQY-VIFPVBQESA-N 273.263 3.517 30 20 CHED C#Cc1cncc(C(=O)N(Cc2ccccc2)[C@@H](C)CC)c1 798243205 BQLRCMIXVYQOID-HNNXBMFYSA-N 292.382 3.504 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(C)C 799047926 PKXIQDPLOOOJDM-CZUORRHYSA-N 291.822 3.683 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1C#N 799293501 MGZXEWUTEUPAFF-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2c(C)noc2C)c(O)c1 799896797 ZFKOKJBLKVLRJE-AATRIKPKSA-N 271.316 3.510 30 20 CHED Cc1cc(Cl)nc(CNCc2ccc(C#N)c(C)c2)c1 800283901 WBCMGIWYRZZUQV-UHFFFAOYSA-N 285.778 3.513 30 20 CHED C[C@H]1CC[C@H](C=Nn2c(S)nnc2-c2ccccc2)C1 800807074 QITVTTXRKWCHEM-RYUDHWBXSA-N 286.404 3.504 30 20 CHED C[C@H](C#N)OCCOC(=O)C=C1CCC(C(C)(C)C)CC1 801848326 CLVFJUSVVSKTAE-AFYYWNPRSA-N 293.407 3.621 30 20 CHED C#C[C@H](NC(=O)/C(=C/C)CC)c1ccc(Cl)cc1F 804423244 JWARWBRAOJOBQZ-DEYRLNKFSA-N 279.742 3.626 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](CCC)C(C)C 804835023 VUQSGHLTDRHAES-KRWDZBQOSA-N 271.404 3.721 30 20 CHED Cc1ccc(OC(F)F)c(/C=C\C(=O)c2cc(C)on2)c1 806556805 ZOYUMFUIPFBGMG-PLNGDYQASA-N 293.269 3.789 30 20 CHED C=C(C)CNC(=O)Nc1ccc2cc(OC)ccc2c1 806618911 UFHDIDNMYNNYIF-UHFFFAOYSA-N 270.332 3.546 30 20 CHED Cc1ccc(NN=C2C[C@H](C)c3ccccc32)nc1 807968906 FHRUJHONCSUAOF-LBPRGKRZSA-N 251.333 3.713 30 20 CHED C/C=C(/CC)C(=O)Nc1ccc(C#N)c(Br)c1 808871095 CBSHWGCARWPYNZ-OQFOIZHKSA-N 293.164 3.616 30 20 CHED CCN(C)c1ccc(/C=C2/C(=O)c3ccccc3[C@H]2C)cn1 809159709 VEIYJKIPPNPDJG-VVBXCHJUSA-N 292.382 3.921 30 20 CHED C#CCC(C)(C)c1nc(CCC2CCCCC2)no1 809335923 VGOXTPSQZXMHNM-UHFFFAOYSA-N 260.381 3.883 30 20 CHED C#C[C@@H](NCc1cc(Cl)cc2cccnc12)C(C)C 809685581 BNVVSXHWHZYRNO-OAHLLOKOSA-N 272.779 3.636 30 20 CHED C#C[C@@H](NCc1n[nH]c2ccccc12)c1ccc(Cl)cc1 811517389 QXRYNZLCFWDLCA-OAHLLOKOSA-N 295.773 3.680 30 20 CHED CC1(C)C(=NNC[C@@H]2CCSC2)C[C@@H]1c1ccccc1 811659544 XWLBTDJEPLDECU-DZGCQCFKSA-N 288.460 3.899 30 20 CHED Cn1cc(C=NOC/C=C/Cl)c(C2CCCCC2)n1 811671539 HBTTXSDLQGSSIO-LLDVEVIQSA-N 281.787 3.571 30 20 CHED N#Cc1c(F)cccc1/C=C1\CCc2ccc(O)cc2C1=O 811691298 NIAIBSOWFRQVBM-MDWZMJQESA-N 293.297 3.615 30 20 CHED CCc1ccc(N(C(=O)c2cccc(C#N)n2)C(C)C)cc1 813260843 SRXRNSKOQGBBEV-UHFFFAOYSA-N 293.370 3.571 30 20 CHED CC(=NOCC1CC1)c1ccc(Br)c(F)c1 814242256 WPTURNOVKDDQCR-UHFFFAOYSA-N 286.144 3.739 30 20 CHED CCCCCC[C@@H](C)NN=C(C)CC1(C(=O)O)CCC1 814858522 AJFBYKWAKXZSLM-CYBMUJFWSA-N 282.428 3.956 30 20 CHED COc1ccc(NN=C(C)[C@@H](C)CCCCC(=O)O)cc1 814885256 TUWFCZRYHUEMLO-LBPRGKRZSA-N 292.379 3.764 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCC[C@H]1CCC[C@H](C)C1 815338109 NCJVGXBTTJIBTP-GXTWGEPZSA-N 286.375 3.635 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C2CCCCC2)[nH]n1 815757310 DSCXOEUHKMNALT-UHFFFAOYSA-N 283.322 3.607 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CCCC[C@@H]1C)c1ccccn1 820007263 SMKOQBMYDYIOBF-LZWOXQAQSA-N 271.360 3.516 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)O[C@@H](C)CC(C)C 820773826 JQZJVSIACIGPBZ-LBPRGKRZSA-N 291.347 3.907 30 20 CHED CC(C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)=C1CCC1 826690146 SVRMJPFSPORNGT-ROUUACIJSA-N 294.398 3.785 30 20 CHED N#C[C@@H](OC(=O)C1CC2(CCC2)C1)C1CCCCC1 830626236 RTEPOYDAGRVJKL-CQSZACIVSA-N 261.365 3.582 30 20 CHED CN(C(=O)Nc1cccc(C#N)n1)C1CCCCCCC1 831890697 SPTCWUHXENHQGC-UHFFFAOYSA-N 286.379 3.530 30 20 CHED CSCCON=C(C)Cc1coc2ccccc12 834976527 ZVQZWHDYVLQTHR-UHFFFAOYSA-N 263.362 3.731 30 20 CHED CC1(C#N)CCC(=NNc2cccc(Cl)n2)CC1 834982359 WMNKIZTWHQXUPZ-UHFFFAOYSA-N 262.744 3.607 30 20 CHED CCCCCCCOC(=O)C1(C)CCC(=O)CC1 835083865 GKSVHJCUJJBSBO-UHFFFAOYSA-N 254.370 3.649 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1scnc1C(C)C 835337736 QACPAVAQLOVYAL-OAHLLOKOSA-N 297.420 3.652 30 20 CHED CC(C)[C@H](NC(=O)C#CC(C)(C)C)c1ccc(F)cc1 837323259 IXWMFTLIJZKOEV-INIZCTEOSA-N 275.367 3.689 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CC(C)(C)c2ccccc21 837482763 ZROBSFKEHNVLEV-HNNXBMFYSA-N 269.388 3.575 30 20 CHED C/C(=C\C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 839052940 RBOAZDHUIGBFKI-RRDVCTQDSA-N 287.334 3.855 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2CSc3ccccc32)C1 839057377 XDMNBUSWQMSDSB-MBNYWOFBSA-N 287.384 3.501 30 20 CHED CCCCCCO[C@@H](C)C(=O)N(C)c1ccc(C#N)cc1 841132435 WWPMDCDQQFEXOZ-AWEZNQCLSA-N 288.391 3.506 30 20 CHED CCCC(=NNc1ccc(Cl)nn1)[C@@H]1CC1(C)C 841605666 RXRNPVWPZUOSRN-VIFPVBQESA-N 266.776 3.744 30 20 CHED N#C[C@H](C(=O)/C=C\C1CCCC1)c1nc2ccccc2o1 842694231 TUVIDOLAXZENII-ASCRHOAZSA-N 280.327 3.750 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C/C1CCCC1 843566835 JYOPKOXEPZSYMY-MDZDMXLPSA-N 254.333 3.552 30 20 CHED Cc1c(NN=C2CCC[C@@H]3C[C@@]23C)cccc1C(=O)O 844622615 HMKUYMWKWUANQA-BDJLRTHQSA-N 272.348 3.671 30 20 CHED Cc1cc(C#N)ccc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 846751459 FVNWTXYMPLBKRG-DYVFJYSZSA-N 298.411 3.895 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1coc(CC)n1 847743427 BDPGPDWUTZYWSR-MBNYWOFBSA-N 277.364 3.775 30 20 CHED CCc1ccc(NC(=N)NCC(C)(C)CCC#N)cc1 849029036 YCOVZECRFMLLBI-UHFFFAOYSA-N 272.396 3.515 30 20 CHED O=C(/C=C\c1ccnn1CC1CC1)c1csc(Cl)c1 849249006 CMQBJBBHEXPOCH-ARJAWSKDSA-N 292.791 3.904 30 20 CHED C=CCCn1cc(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)nn1 849250471 UOHZOQWRTIUEGJ-RKPNYOAGSA-N 293.370 3.546 30 20 CHED N#C[C@@H](C(=O)CCCF)c1nc(-c2ccccc2)cs1 850766963 YRLJMLWFMLWVMN-LBPRGKRZSA-N 288.347 3.736 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc(Cl)cs1 851207054 RUHWTEVXYYHJMX-QMMMGPOBSA-N 271.769 3.887 30 20 CHED CC1(C)C[C@H](NN=C2CCC(C3CCC3)CC2)CCO1 853335610 CCHFJLUQDHWUJE-BZSJEYESSA-N 278.440 3.880 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)NCCc1ccccc1C 853784252 ZYFGCCNTAPIRBH-ZDUSSCGKSA-N 297.851 3.528 30 20 CHED Cc1cc(CN[C@H]2CC[C@@H](C#N)C2)c(C)n1-c1ccccc1 858543172 QPKAUGXJDWMRNR-AEFFLSMTSA-N 293.414 3.876 30 20 CHED C#CCCOC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 858943864 CLHKVLDKSRUFEX-CYBMUJFWSA-N 291.416 3.998 30 20 CHED CCC(CC)n1ccc(COC(=O)C(C#N)(CC)CC)n1 860197541 DRBCGMNGIWZTFZ-UHFFFAOYSA-N 291.395 3.617 30 20 CHED CCCCCCCNC(=O)c1ccc(C(C)=O)s1 862360004 ZVYURRUELWCVFR-UHFFFAOYSA-N 267.394 3.651 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1nc(C)cs1 863082621 OENWAASJVCLJRW-LLVKDONJSA-N 259.378 3.526 30 20 CHED Cc1ccccc1C=NOCc1cccc2c1CCOC2 871721488 QKCKJCXOUKGSJE-UHFFFAOYSA-N 281.355 3.618 30 20 CHED C=CC(C)(C)CC(=O)N(CC)CCc1cccs1 878177190 UNPUCZUBGLWEDT-UHFFFAOYSA-N 265.422 3.741 30 20 CHED O=C(/C=C/c1ccccc1F)c1ccc(-n2cccn2)cc1 878902431 UMSJHCFLSPYCCW-DHZHZOJOSA-N 292.313 3.908 30 20 CHED C=C1CCC(C(=O)NCc2nc3ccccc3s2)CC1 887709717 RUWBYJSKZFFZDF-UHFFFAOYSA-N 286.400 3.659 30 20 CHED C=C1CCC(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CC1 887877667 MFCGJLWLWGHZSF-UHFFFAOYSA-N 296.273 3.558 30 20 CHED C=C(C)CN(CC)C(=O)c1cn(CC)nc1-c1ccccc1 887890934 NIPIZJYTMWLURV-UHFFFAOYSA-N 297.402 3.608 30 20 CHED Cc1c(Cl)cnc(N[C@H](c2ccccn2)C2CC2)c1C#N 895793307 KSRFQJUTCYFVJA-HNNXBMFYSA-N 298.777 3.873 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC/C=C/Cl 899045468 VZFVZHQKSQTUEY-RMKNXTFCSA-N 278.783 3.527 30 20 CHED CCC[C@@H](C)C(=O)N(O)Cc1cccc2ccccc12 901368374 XMXHZWSJNADAQP-CYBMUJFWSA-N 271.360 3.994 30 20 CHED Cc1cc(Cl)cc(C(=O)N(O)Cc2ccc(F)cc2)c1 901372162 SPKAUWGBWBVELD-UHFFFAOYSA-N 293.725 3.819 30 20 CHED Cc1nc(/C=C\C(=O)c2cccc(C3CC3)c2)[nH]c1C 901514611 VUAFRBBSWZXXDP-HJWRWDBZSA-N 266.344 3.800 30 20 CHED C=CC[C@H]1N(Cc2ccoc2C(=O)O)CCCC1(C)C 902546352 UPORXPPEQYZUHZ-CYBMUJFWSA-N 277.364 3.545 30 20 CHED CC(C)(C#N)CN[C@@H]1C[C@@H](c2ccccc2)C1(C)C 903100511 QPIJKJCKHUWXTI-LSDHHAIUSA-N 256.393 3.708 30 20 CHED CC[C@H](NCc1nc2c(s1)CCC2)c1cccc(C#N)c1 903191442 WRTHSEQYSKYMIH-AWEZNQCLSA-N 297.427 3.744 30 20 CHED C=CCCC[C@H](N)c1nc(C(C)(C)Cc2ccccc2)no1 904698786 AQYCAXQFTLRHMC-HNNXBMFYSA-N 299.418 3.946 30 20 CHED CS[C@@H](C)CCC(=O)OCCCCC1(C#N)CCC1 909136011 REIFSGCWVJFCFW-ZDUSSCGKSA-N 283.437 3.925 30 20 CHED Oc1nc2ccccc2cc1/C=N/Cc1cccc(F)c1 914773717 SURFAGUNLYGKDY-YBFXNURJSA-N 280.302 3.699 30 20 CHED Clc1cccc(C=NNc2ncccc2Cl)c1 917549488 PGUGINSBVXTRKJ-UHFFFAOYSA-N 266.131 3.834 30 20 CHED Cc1cc(C)c(CC/N=C\c2cccc(O)c2O)c(C)c1 917556611 FKIWCZOEGKQDSL-ODLFYWEKSA-N 283.371 3.685 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2/N=C/c1cc([N+](=O)[O-])ccc1O 920177937 MLDVKUPLXHVCLC-HKJBKDEOSA-N 296.326 3.715 30 20 CHED COc1ccc(C(C)=NN[C@H](C)c2ccccc2)cc1 920386222 UMBBLMHRONBSQW-CYBMUJFWSA-N 268.360 3.770 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)c1ccc(C(C)(C)C)cc1 921147620 BCWDAYGSTLPTEH-CQSZACIVSA-N 289.419 3.928 30 20 CHED Cc1ccc([C@@H](CN[C@H](C)CC(C)(C)C#N)N(C)C)cc1 924850465 MSAXRSXHQWPOSG-NVXWUHKLSA-N 287.451 3.516 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1Br 929127172 ZIXIWKYNUDSXDY-SNVBAGLBSA-N 282.181 3.990 30 20 CHED C[C@H]1[C@@H](C)SCCN1CCCCC1(C#N)CCC1 929674098 BXJSYVSVSCQIGU-UONOGXRCSA-N 266.454 3.676 30 20 CHED C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](C#N)C1 932156317 AUYTUUZFKKSCMS-RYUDHWBXSA-N 280.318 3.585 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC[C@H](C)Cc1cccs1 933493337 GZBIQIMSBZWNJH-GFCCVEGCSA-N 298.411 3.537 30 20 CHED Cc1ccccc1C(F)(F)C(=O)Nc1ccc(C#N)cc1 1116414968 AJINSIWKNMAEFJ-UHFFFAOYSA-N 286.281 3.597 30 20 CHED C=C[C@H](CC)CC(=O)O[C@H](c1ncccn1)C1CCCC1 1122798614 SKYSJUKNDWZIEX-CJNGLKHVSA-N 288.391 3.853 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)CCc1ccc(C#N)cc1 1127510249 YBKXNCOUFGBDOW-SFHVURJKSA-N 298.430 3.918 30 20 CHED CCCN(Cc1ccc(F)cc1)c1cc(C)c(C#N)cn1 1185081075 JDBNEAFPAWJVPW-UHFFFAOYSA-N 283.350 3.817 30 20 CHED CC1(Cc2noc(-c3csc(C#N)c3)n2)CCCC1 1261276718 QOQXEMJAMKLZGP-UHFFFAOYSA-N 273.361 3.793 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)[C@H](C)c2ccccc2)n1 1306986488 PAPJFJHXYULBLK-STQMWFEESA-N 280.375 3.515 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)c1ccc(C#N)c(C)n1 1306999584 NYWCPDSMOWCCLT-DZGCQCFKSA-N 257.381 3.667 30 20 CHED CCSc1ccccc1CN(C[C@@H](C)C#N)C1CC1 1307644766 RXMRGEFZBZRJNE-ZDUSSCGKSA-N 274.433 3.923 30 20 CHED N#Cc1ccc(NC(=O)CC#Cc2ccccc2)cc1Cl 1319203524 IBFVRKFPUVHEIJ-UHFFFAOYSA-N 294.741 3.592 30 20 CHED C=CCn1cnnc1SCCCc1ccccc1Cl 1320026300 OAAUPKVVJUFKJT-UHFFFAOYSA-N 293.823 3.842 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)CC#Cc1ccccc1 1321249257 ALPPZGPPWAMFMH-RYRKJORJSA-N 283.415 3.617 30 20 CHED Cc1ccnc(CSCCOc2ccccc2C#N)c1 1324495715 IUURDNGTJSUPLK-UHFFFAOYSA-N 284.384 3.574 30 20 CHED C=CCC1(CNC(=O)c2ccc3cncn3c2C)CCCC1 1325045777 DIHKFRFPEUDTLO-UHFFFAOYSA-N 297.402 3.509 30 20 CHED Cc1cc(C)n(CCSCc2ccc(C#N)c(C)c2)n1 1331471044 WRPAJFWUFIRARH-UHFFFAOYSA-N 285.416 3.613 30 20 CHED C=C1CC(c2noc(Cn3ccc4ccccc43)n2)C1 1332758712 ZDBAAKWANBTSLP-UHFFFAOYSA-N 265.316 3.506 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)c1csc(C#N)c1 1333672541 NPDLQULIPVOODU-LLVKDONJSA-N 282.368 3.601 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](C)c1cccs1 1336220066 ZZAMZYCKYHNJLA-OLZOCXBDSA-N 263.406 3.809 30 20 CHED C=C(C)CCC(=O)N(CC)[C@@H](C)Cc1ccsc1 1337175323 DKVWMJWUWUHFQK-ZDUSSCGKSA-N 265.422 3.884 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc(Cl)ccc1OCC 1338114330 YZBCIRAQEFFGKT-DGCLKSJQSA-N 283.799 3.590 30 20 CHED C[C@@H](OC1CCCCC1)C(=O)OCCCCC(C)(C)C#N 1339343626 LGGRYJLISVVVAN-CQSZACIVSA-N 295.423 3.987 30 20 CHED COC(=O)c1ccc(SCc2ccc(C#N)cc2C)cc1 1343010541 GIDSEQHJXCVPBT-UHFFFAOYSA-N 297.379 3.946 30 20 CHED CCc1ccccc1CC(=O)O[C@H](CC#N)c1ccco1 1344937498 RSPSCQYKIOMQAT-MRXNPFEDSA-N 283.327 3.583 30 20 CHED CC(F)(F)c1ccc(C(=O)Nc2ccccc2C#N)cc1 1348046643 JDCDTCWQIQROTL-UHFFFAOYSA-N 286.281 3.922 30 20 CHED CCN(C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccc(C#N)cc1 1360939644 XKEYMLDAQFOANR-SQWLQELKSA-N 284.403 3.983 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1Nc1snc(Cl)c1C#N 1458472735 QCIVQGBDTADUBI-IONNQARKSA-N 269.801 3.905 30 20 CHED CC(=O)c1cccc(OCc2ccc(C#N)cc2F)c1F 1459248089 JPMFFVQVQVYNDO-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=C(CC)C(=O)Nc1cc(C)n(C2CCCCC2)n1 1520184067 OGFHCYNOHYJKKL-UHFFFAOYSA-N 261.369 3.601 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1nsc2ccccc12 1526169464 SYWOFFYTNLXBMG-JTQLQIEISA-N 288.372 3.781 30 20 CHED CCN(C(=O)c1cc2cccc(Cl)c2s1)[C@@H](C)C#N 1542531740 PCXBCRYTGCBABE-VIFPVBQESA-N 292.791 3.929 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N[C@H]1CC12CCCCC2 1546276746 LXEKHMKGTHRBCA-IRXDYDNUSA-N 296.414 3.598 30 20 CHED Cc1nnc(SC[C@H]2CCCC[C@H]2C)c(C#N)c1C 1559358152 ZPDLUBSKNPIHIL-ZWNOBZJWSA-N 275.421 3.884 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCc2ccc(F)cc21 1559801588 DKSKTDFKEWTUDQ-UHFFFAOYSA-N 286.737 3.913 30 20 CHED Cc1ccc2c(c1)CN([C@H](C)c1ccc(C#N)cc1)CC2 1559979903 OGNIJXZSVDSCIM-OAHLLOKOSA-N 276.383 3.986 30 20 CHED C=CCCCCN[C@H]1CCC[C@H](CCCC(=O)O)C1 1573366336 LESZLVHXVVKGAI-CABCVRRESA-N 267.413 3.746 30 20 CHED N#Cc1ccc(SCc2csc(C(=O)O)c2)c(F)c1 1601114202 NSNFICPTYNRQEI-UHFFFAOYSA-N 293.344 3.749 30 20 CHED COC(=O)c1ccc(CNc2cc(C#N)ccc2C)cc1C 1620962465 GHCPMHGPEYTJLG-UHFFFAOYSA-N 294.354 3.574 30 20 CHED CCCSc1cccc(N[C@H]2CC[C@@H](C#N)C2)n1 1621474417 VDGKPMYDVSMUBQ-NEPJUHHUSA-N 261.394 3.688 30 20 CHED C=C(Cl)CN1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C 1643667250 VVEUPAPTSSWYSH-JYJNAYRXSA-N 292.854 3.722 30 20 CHED CC[C@H](NCC1(CC#N)CC1)c1ccc(C)c(F)c1 1645141959 RHVZKOVGCITUPG-HNNXBMFYSA-N 260.356 3.869 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNc1nc(C)cc(C#N)n1 1651945567 GDSUCPFUQYHTDH-ZIAGYGMSSA-N 272.396 3.675 30 20 CHED C=C(Br)CN1Cc2ccccc2C[C@H]1CC 1653198059 QUKZKUDUNKVPBQ-CQSZACIVSA-N 280.209 3.732 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NCCc1ccc(C#N)cc1 1654784506 BQSIGJBVMQTROY-HXUWFJFHSA-N 292.426 3.958 30 20 CHED C[C@H](CCC#N)CN1CCC[C@](C)(c2ccccc2)C1 1657392602 OHGCUMULEKFPQE-AEFFLSMTSA-N 270.420 3.980 30 20 CHED Cc1cc(C#N)cc(NC2CCN(CCC(C)C)CC2)c1 1658340176 LKGVUTYYFZCSOS-UHFFFAOYSA-N 285.435 3.789 30 20 CHED CCCC[C@H](CCC)CNC(=O)Nc1cccc(C#N)n1 1673091172 VEQLCIWEWDDBRT-ZDUSSCGKSA-N 288.395 3.681 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N1CCC(CC)(CC)C1 1722552735 UAXULTGCOAJKHW-UHFFFAOYSA-N 296.846 3.610 30 20 CHED Cc1cccc(NN=C2CC[C@H](CC(=O)O)[C@@H]2C)c1Cl 1776106700 QZTFYTUAWGOTKX-WDEREUQCSA-N 294.782 3.937 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccc(C(=O)O)c(O)c2)c1 1776133849 VTNBCDRAYCKULJ-VURMDHGXSA-N 296.322 3.603 30 20 CHED C=C[C@@H]1CCCN(c2nc3ccccc3c(C)c2C(=O)O)C1 1776150388 OXDKLGPPNAMCJG-CYBMUJFWSA-N 296.370 3.644 30 20 CHED C=CCC1(C(=O)O)CCN([C@@H](C)c2cccc(F)c2)CC1 1776157352 DUYFZEXIOQGHOC-ZDUSSCGKSA-N 291.366 3.630 30 20 CHED Cc1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)cc1F 1777433877 QGCUZHXQZBUDPF-HWKANZROSA-N 290.315 3.790 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCCCC1 7010190 FCSKNLNSOAPOIZ-UHFFFAOYSA-N 261.394 3.602 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc2cccnc12 63961231 LZKDNDMHMVTOAH-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#Cc1ccc(COC(=O)CCCc2cccs2)cc1 58804878 OZZUKHFAGMCRIY-UHFFFAOYSA-N 285.368 3.686 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C1CC1 175323785 OUATYDQLQYKCIS-OQPBUACISA-N 297.185 3.720 30 20 CHED C=CCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 102322676 DRBYRUXRSQFZRS-UHFFFAOYSA-N 271.282 3.630 30 20 CHED C#Cc1cccc(N(C(=O)c2cnc(CC)s2)C(C)C)c1 102908797 WLNWIOXIYAJIBT-UHFFFAOYSA-N 298.411 3.742 30 20 CHED C=CCN(C)C(=O)c1sc2cc(F)ccc2c1Cl 22332773 UOAXLUSHBALOSZ-UHFFFAOYSA-N 283.755 3.952 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1SC 104975243 KEIQRZGTYGVHIT-UHFFFAOYSA-N 264.394 3.838 30 20 CHED C#CCCCNC(=O)c1ccc(OC)c(-c2ccccc2)c1 172943159 RXPHLOXPIMRNSS-UHFFFAOYSA-N 293.366 3.505 30 20 CHED O=C1/C(=C/c2ccccc2[N+](=O)[O-])Cc2ccc(F)cc21 176411829 RGEQIIALZNMUJO-XYOKQWHBSA-N 283.258 3.556 30 20 CHED CC(C)CCOc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1 176277100 XLVMNOHBVLYLRK-UHFFFAOYSA-N 297.358 3.564 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(COc2ccccc2)cc1 116852977 AQUREQGOZLZPDW-OAHLLOKOSA-N 295.382 3.960 30 20 CHED N#CCCN(Cc1cnc(-c2ccccc2)s1)CC1CC1 174694180 DLAPIWCUUMNLOR-UHFFFAOYSA-N 297.427 3.936 30 20 CHED CC(C)OCCCCNc1ccc2cc(C#N)ccc2n1 302097808 SXTQZDYAPPFCFN-UHFFFAOYSA-N 283.375 3.724 30 20 CHED CN(CC#N)C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 112045007 CZMCEDSNPYVIQE-UHFFFAOYSA-N 284.403 3.631 30 20 CHED Cc1nc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)ccc1C#N 172253569 WCGCJOXIVZHRDZ-OAHLLOKOSA-N 299.418 3.550 30 20 CHED CCOc1ccc(/C=C/C(=O)c2occc2C)cc1 119013941 AABYDISTTMIBBG-RMKNXTFCSA-N 256.301 3.883 30 20 CHED C[C@H]1CC[C@@H](C)N1c1ccc(C#N)cc1Br 301891312 LYVPDKQCTWORNP-AOOOYVTPSA-N 279.181 3.698 30 20 CHED C[C@H](Oc1ccccc1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175752707 KUZSEELRTKJUGZ-KBPBESRZSA-N 295.338 3.630 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1ccoc1 177176021 XBXDHRHRKVOITK-UHFFFAOYSA-N 298.342 3.510 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1ccc(SC)cc1 114756955 CVHCRHFSTNXPFD-JTQLQIEISA-N 267.419 3.655 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccnc2c(F)cccc12 302677925 NQEMUJGACCWJGY-UHFFFAOYSA-N 291.329 3.882 30 20 CHED C=CCCCC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 175206588 WKLVYSWXODTPKB-GFCCVEGCSA-N 289.375 3.704 30 20 CHED CC(C)c1cccc(N/C(N)=N/CCOc2ccccc2)c1 303784600 PKLSPBCHHCFQAM-UHFFFAOYSA-N 297.402 3.616 30 20 CHED N#Cc1cccnc1NCC1(c2ccc(Cl)cc2)CC1 301162036 SITFMSCFGIDMKF-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cccnc2)c1 113952602 VTJRPCGJRLUUIL-WMLDXEAASA-N 295.386 3.613 30 20 CHED C[C@H](N[C@H](C)c1ccc(F)cc1O)c1ccc(C#N)cc1 62746768 VPHQRPKUZSTEKZ-NWDGAFQWSA-N 284.334 3.815 30 20 CHED CC1(C)CCC[C@H](C(=O)[C@H](C#N)C(=O)Nc2ccccc2)C1 179382471 SHNHUHYEQWHKKG-ZFWWWQNUSA-N 298.386 3.550 30 20 CHED Cc1csc([C@H](NCc2ccc(C#N)s2)C2CC2)n1 176976256 FFVJQNYYPARJPS-CYBMUJFWSA-N 289.429 3.626 30 20 CHED CCC1(C/N=C(/N)Nc2ccc(OC(C)C)cc2)CCC1 304854211 URBSUOAALLPJEL-UHFFFAOYSA-N 289.423 3.781 30 20 CHED C=C[C@H](COC)N[C@@H](CC)c1cc(Cl)ccc1OC 1342732992 NSVCZFMAZFRYPS-OCCSQVGLSA-N 283.799 3.590 30 20 CHED C[C@@H](CCc1ccccc1)Nc1nc2ccccn2c1C#N 301174280 VRCNFGDROIZDPL-AWEZNQCLSA-N 290.370 3.639 30 20 CHED Cn1c(C2CC2)nc2cc(NCc3ccc(C#N)o3)ccc21 125177378 NRAMDKHWFTWGFL-UHFFFAOYSA-N 292.342 3.527 30 20 CHED N#CCC1(COC(=O)C2(Cc3ccccc3)CCC2)CC1 125996165 ZXYJWUDHXRTJGH-UHFFFAOYSA-N 283.371 3.636 30 20 CHED N#Cc1ccc(OCCCNc2cc(F)ccc2F)cc1 71981922 DDGFFQIFZVOLBR-UHFFFAOYSA-N 288.297 3.717 30 20 CHED C=CCCCCCN(C)CC[C@@H]1CCCCN1C 472576937 BFZFMAQOOHIBKI-INIZCTEOSA-N 252.446 3.539 30 20 CHED CCOCc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 181476653 NXOVASVXLKERTH-HNNXBMFYSA-N 294.398 3.946 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCCCC1(F)F 448918859 WBAOVUFDPGPFMJ-LBPRGKRZSA-N 286.366 3.600 30 20 CHED Cc1c(C(=O)N(C)[C@@H]2CC2(C)C)sc2ccc(C#N)cc12 508755838 DXKNHPLYGLJDTE-CQSZACIVSA-N 298.411 3.952 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(F)c(C#N)c1 77500310 IFHGGTBPMBGBJR-GFCCVEGCSA-N 297.333 3.922 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)C[C@H](CC#N)c1ccccc1 411084748 JOAHHIZPPZWYAL-ZBFHGGJFSA-N 284.403 3.863 30 20 CHED N#CCCCC[S@](=O)Cc1cccc(C(F)(F)F)c1 78700443 NJSAUQDMYKKWIM-LJQANCHMSA-N 289.322 3.648 30 20 CHED C=C(C)CCc1noc([C@H](C)Oc2ccccc2F)n1 508601666 XNUDIPMQTZFTBP-NSHDSACASA-N 276.311 3.857 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H](C)c1ccccc1 125096554 XTGTZLMMDAMFRE-AWEZNQCLSA-N 280.371 3.760 30 20 CHED CC(C)c1ccc(CN(C)C(=O)c2cccc(C#N)c2)cc1 30813639 BETLXVCGELMXAA-UHFFFAOYSA-N 292.382 3.954 30 20 CHED COc1cccc(/C=C2\COc3c(C)cc(C)cc3C2=O)c1 72031071 LYHMGJAERGDURK-OQLLNIDSSA-N 294.350 3.971 30 20 CHED C=C[C@](C)(CCOC)C(=O)Oc1ccc(OCCC)cc1 187860356 NSYNEEUCJSSWOO-QGZVFWFLSA-N 292.375 3.610 30 20 CHED N#Cc1c(F)cccc1OCCCCC(F)(F)F 132050164 CQXWSYRHMXGLAM-UHFFFAOYSA-N 261.218 3.809 30 20 CHED Fc1ccc(C#CCN2CCSC3(CCC3)CC2)cc1 411873056 WXKQLMXXMXQSGM-UHFFFAOYSA-N 289.419 3.539 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCCCC 126356349 VBESZLZSICVOOF-UHFFFAOYSA-N 251.395 3.843 30 20 CHED N#CC1(COC(=O)Cc2ccc3ccccc3c2)CCC1 183869420 LWPHVJICVHCJMS-UHFFFAOYSA-N 279.339 3.619 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](C)CN(C)c2ccccc21 410526064 HVMDHASRSHCIRY-CQSZACIVSA-N 286.419 3.708 30 20 CHED Cc1nsc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1C#N 342288784 DVMHKMTUJCYNQW-GRYCIOLGSA-N 261.394 3.704 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1F 181304836 MTXAGKDZLBVTFT-NSHDSACASA-N 299.305 3.761 30 20 CHED N#Cc1c(Cl)nsc1N[C@H]1CC12CCCCC2 181264994 YCTFRMYANBAPAQ-VIFPVBQESA-N 267.785 3.803 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1csc2c1CC[C@H](C)C2 410830244 ULDMYSVQBIHBST-NWDGAFQWSA-N 290.432 3.637 30 20 CHED CCOc1ccc(C(=O)CSc2ccc(C#N)cc2)cc1 509662877 HFRMPZDGWWFQMF-UHFFFAOYSA-N 297.379 3.932 30 20 CHED C[C@@H](CCc1ccco1)Nc1nc2c(cc1C#N)CCCC2 314796963 KYTXQNICULITBU-ZDUSSCGKSA-N 295.386 3.858 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc(C)c1F 121584869 BPKYJWYUVWATFW-UHFFFAOYSA-N 276.355 3.727 30 20 CHED CCc1ccc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)cc1 121435728 OAWAOQYCNFKCIN-IFXJQAMLSA-N 294.398 3.505 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1c[nH]c2cc(C)ccc12 182612499 UEPXIKNOABCABS-AWEZNQCLSA-N 284.403 3.880 30 20 CHED N#Cc1cc(F)cc(OCCC2(C#N)CCCCC2)c1 419026739 CBRXMEUCFCUKPH-UHFFFAOYSA-N 272.323 3.940 30 20 CHED Cc1cccc(N(C)C(=O)c2cc(C#N)ccc2Cl)c1 509165010 HSSKWYILMDTBEV-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CC#CCCCC(=O)N1CCc2sccc2[C@H]1CC 185271560 HDHGEYWYAVAFEW-CQSZACIVSA-N 275.417 3.778 30 20 CHED C#C[C@@H](C)NC(=O)c1ccc(SCc2ccccc2)cc1 186054274 ZHGJBLIRDALKCD-CQSZACIVSA-N 295.407 3.730 30 20 CHED N#CCc1cccc(NC[C@H]2CCOc3ccccc32)c1 313476056 ICLUGVLQNSEITJ-OAHLLOKOSA-N 278.355 3.731 30 20 CHED C=CCCCN[C@@H](c1ccc(OC)cc1)C(F)(F)F 183400607 SRGARAVTJXMJIR-ZDUSSCGKSA-N 273.298 3.854 30 20 CHED C[C@H](CC(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1 45243866 QKUBPQDAXKKXCG-OAHLLOKOSA-N 292.382 3.710 30 20 CHED CC(C)(C#N)CCOc1ccccc1C(=O)OC(C)(C)C 410320879 WVHDXFNIZLBQRY-UHFFFAOYSA-N 289.375 3.961 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(OCC#N)cc1 180554927 QYSKFOZELPAFST-MRXNPFEDSA-N 272.392 3.813 30 20 CHED CO[C@H](C)c1nc(CSCC2(C#N)CCC2)cs1 419412964 DZRBJPQCGIRZIF-SNVBAGLBSA-N 282.434 3.778 30 20 CHED O/C(=N/CCC1(O)CCC1)Nc1cccc2ccsc12 328992688 VSHUVMBJLGGTTN-UHFFFAOYSA-N 290.388 3.532 30 20 CHED C=CCNC(=O)CCCc1cc(Cl)sc1Cl 133070158 RSXCLMCJUYAGPC-UHFFFAOYSA-N 278.204 3.680 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2cccc(C)c2)cc1 49893823 AGKFQKDBJXYUEP-GOSISDBHSA-N 292.382 3.894 30 20 CHED C#CCCCCN[C@@H](C)c1ccccc1Br 130807581 AUQYIIRDNRUEER-LBPRGKRZSA-N 280.209 3.903 30 20 CHED Cc1nnc(N=C(O)CC2(C)CCCCC2)n1C1CC1 329081587 RSRIGQJEFLIPQO-UHFFFAOYSA-N 276.384 3.870 30 20 CHED Cc1nc(CN(C)[C@@H](C)c2cccc(C#N)c2)sc1C 425530060 DFONNAHNWVCPAD-LBPRGKRZSA-N 285.416 3.825 30 20 CHED COc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1Cl 193846403 WVDCWLDGXGRYOY-QWRGUYRKSA-N 264.756 3.843 30 20 CHED CCCCCCC[S@](=O)Cc1c(C)noc1C 132495047 PZINPFHFKOXOAT-QGZVFWFLSA-N 257.399 3.511 30 20 CHED CC(C)(C)c1csc2ncnc(NCCCC#N)c12 427157452 JVPAEHBJSPCTFR-UHFFFAOYSA-N 274.393 3.704 30 20 CHED C=CC[C@@H](CO)Nc1cc(C)nc2c(C)cc(Cl)cc12 512437314 RSFFAIAZFCEHHA-ZDUSSCGKSA-N 290.794 3.854 30 20 CHED CCC[C@H](C#N)NC(=O)c1c(Cl)cc(F)cc1Cl 617849031 OPUOCIKTCWOQDC-MRVPVSSYSA-N 289.137 3.555 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1Nc1ccc(C#N)cn1 80231404 KVNNGZRRSLMAIY-GTNSWQLSSA-N 281.334 3.828 30 20 CHED C=CCC[C@H](N[C@@H]1CCOC[C@@H]1C)c1ccccc1 195079602 DPUDBVYDAVQVGU-UAGQMJEPSA-N 259.393 3.709 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1C(C)(C)C1(C)C 425486739 VFIOCEAAIYUSSP-GFCCVEGCSA-N 299.418 3.695 30 20 CHED N#CCCN(Cc1csc(-c2ccoc2)n1)CC1CC1 81514864 FQJRPASWRSBGEK-UHFFFAOYSA-N 287.388 3.529 30 20 CHED Cc1c(C(=O)N(C)C[C@@H](C)C#N)sc2ccc(F)cc12 49424577 HEGACGUTGNTCPH-VIFPVBQESA-N 290.363 3.581 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCCc2cccnc21 194437015 HBBWNKYJWPEPNP-INIZCTEOSA-N 286.419 3.706 30 20 CHED N#Cc1cc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)O)cs1 517966255 VULRUFRLWGVHJU-WBVHZDCISA-N 295.363 3.575 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccncc1F 335858169 FBVSDUAVAWBKLP-XIKOKIGWSA-N 295.361 3.821 30 20 CHED N#CCCCCN(CCc1ccccc1)Cc1cccnc1 191347682 KTOLAQMUDSRUKD-UHFFFAOYSA-N 293.414 3.820 30 20 CHED C[C@@H]1CCN(Cc2cccc(F)c2C#N)C[C@H](C)C1 428294434 GHOUICGSUXVPPA-CHWSQXEVSA-N 260.356 3.565 30 20 CHED CCCCCCCCCN1CCC[C@H](CNC(C)=O)C1 191967771 YKQKDCZTSVNCLY-QGZVFWFLSA-N 282.472 3.585 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(Cl)o2)no1 424363340 YVTAGLYRZRVYIJ-UHFFFAOYSA-N 252.701 3.837 30 20 CHED C=CCCC(=O)Nc1ccc(Br)c(C)c1F 194788439 RBELWGNRGIEUIA-UHFFFAOYSA-N 286.144 3.801 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H](C)CCC 514819589 YFZXEAHTUBFJEM-OLZOCXBDSA-N 264.417 3.602 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 336528446 BHFWXQHUIBFGTH-HKUYNNGSSA-N 294.398 3.610 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@H]2Cc3ccccc32)cc1 334508811 JHYIPXARBCPUCI-KRWDZBQOSA-N 290.366 3.766 30 20 CHED C=C(C)C(C)(C)C(=O)N(Cc1cccc(F)c1)C1CC1 425462368 ULSSJBYYEAEPCA-UHFFFAOYSA-N 275.367 3.919 30 20 CHED CC1CCC(C)(/N=C(/O)c2cc(O)cc([N+](=O)[O-])c2)CC1 331204891 SGLOXYICRHQFRX-UHFFFAOYSA-N 292.335 3.574 30 20 CHED CC(C)c1cc(C(=O)N[C@H](C)CC#N)c(O)c(C(C)C)c1 512039429 JCSQHIXNEGAUPS-GFCCVEGCSA-N 288.391 3.671 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccnn1[C@H](C)CC(C)C 439387342 NQFJCJRRIJJACW-ZIAGYGMSSA-N 292.427 3.966 30 20 CHED N#CCCCCN(C1CC1)[C@@H]1CCc2ccccc21 338731339 ZHUXLMDRBIJJQP-QGZVFWFLSA-N 254.377 3.832 30 20 CHED Fc1ccc(C#CCN2CCC=C(c3ccco3)C2)cc1 511090682 NHRGBWMUDIGUCU-UHFFFAOYSA-N 281.330 3.560 30 20 CHED Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 336024960 CUXYTTUBCYXUAF-CYBMUJFWSA-N 264.328 3.609 30 20 CHED CC[C@@H](CNc1cnccc1C#N)c1ccccc1 94132271 CUEVVQBFVFLEKC-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c(C)c1 336402675 QFJKVSFKTZNZJL-UHFFFAOYSA-N 290.366 3.845 30 20 CHED CC1(C)CN(Cc2cccc(OCCCC#N)c2)C1(C)C 93507871 SHTUZKBSNDVLCW-UHFFFAOYSA-N 286.419 3.990 30 20 CHED CCCc1nnc(SCCCCC(C)(C)C#N)o1 436203782 KEADSFHNXGQUBO-UHFFFAOYSA-N 267.398 3.834 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3c(Cl)cccc32)C1 248998804 PWJSQSYDRLSJRB-XHBSWPGZSA-N 274.795 3.999 30 20 CHED CCCOc1cc(/C=C/c2ccncc2C#N)ccc1OC 347454649 WPXIHTXPTRSYPC-GQCTYLIASA-N 294.354 3.921 30 20 CHED C[C@@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccc(C#N)cc1 431438054 GLOGKJDZVOWOJI-PSPNYPNSSA-N 282.387 3.562 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H](C)c1ccccc1 248941579 YVLSJZDNWADSRB-JYYAWHABSA-N 256.393 3.851 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(Oc2cccnn2)c1 340742120 SETLYXKUFYQREL-UHFFFAOYSA-N 297.358 3.810 30 20 CHED CN(CC(C)(C)C#N)c1ccc2ccc(Cl)cc2n1 432138853 YQSQCONUXFWUFT-UHFFFAOYSA-N 273.767 3.874 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CCC(C(C)C)CC1 435748616 ORUGAASVBMBSHW-MYBQVCMBSA-N 265.441 3.772 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)c1ncc(C)s1 343362391 SXHYWZIBUDNXCX-UHFFFAOYSA-N 290.436 3.812 30 20 CHED C=CCOc1ccc(CN[C@@H](CC)c2ccncc2)cc1 344596262 XBCOFGGWWSCVPO-SFHVURJKSA-N 282.387 3.887 30 20 CHED C[C@@H](NC(=O)[C@H](C)c1ccccc1F)c1ccc(C#N)cc1 343280173 QOSZHDPRQSZHIX-CHWSQXEVSA-N 296.345 3.678 30 20 CHED CC#CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1 607731627 OHFBPQPLGKBYLA-UHFFFAOYSA-N 270.351 3.510 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2[nH]c(CC)cc(=O)c2c1 345572817 XZCXXDLUXJDMDL-UHFFFAOYSA-N 298.386 3.631 30 20 CHED C[C@H](CCC#N)CN1CCSC2(CCCCC2)C1 602481883 FSVGSEYURJXCNM-CQSZACIVSA-N 266.454 3.678 30 20 CHED C[C@@H]1CCN(CCCSCC#N)[C@@H]2CCCC[C@@H]12 525308582 VTIWOGQBSDYBMH-QLFBSQMISA-N 266.454 3.534 30 20 CHED COc1ccc(COCCSc2ccc(C#N)cc2)cc1 609371644 QUYOFWPJPFCCLB-UHFFFAOYSA-N 299.395 3.876 30 20 CHED Oc1ccc(Cl)cc1C=Nc1cccc2c1OCCO2 255305669 APZANXGLBZPONV-UHFFFAOYSA-N 289.718 3.567 30 20 CHED CC[C@H](C)Oc1ccccc1/C=C\C(=O)O[C@@H](C#N)CC 255236423 FNSKFUYMTZXECP-UWGCGMSASA-N 287.359 3.722 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(-n2ccnc2)cc1 343829792 CCYHNWAZFUVCOF-UHFFFAOYSA-N 281.359 3.579 30 20 CHED CN(C(=O)/C=C\SCc1ccco1)c1cccc(C#N)c1 255487480 MOESUBJBMAYMMR-CLFYSBASSA-N 298.367 3.561 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1c(C)noc1C)C2=O 254955576 LIFODCAUNSMLMV-CEITULEQSA-N 267.328 3.983 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)Cc1cccc(C#N)n1 602476054 VLNJPDCAKYWTNN-SFHVURJKSA-N 279.387 3.782 30 20 CHED Cc1cc([C@H]2CCCN2)ccc1-c1ccc(C#N)cc1 600778383 XRYXNAMHPJTYQH-GOSISDBHSA-N 262.356 3.958 30 20 CHED N#CC[C@H](CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 353822183 FKBZQOVBPYHZJD-MRXNPFEDSA-N 289.338 3.584 30 20 CHED C=CCN(C(=O)Nc1c2c(cc3c1CCC3)CCC2)C1CC1 353914290 PAVRCUIMWGTOES-UHFFFAOYSA-N 296.414 3.846 30 20 CHED CC(C)[C@@H]1C[C@H](NC(=O)CC(C)(C)C#N)c2ccccc21 357449848 HBUQPZGTUDGHBY-HOTGVXAUSA-N 284.403 3.927 30 20 CHED C=CCCCOC(=O)/C=C\c1ccc2ccccc2n1 255532627 MXATUQPOPLQJQV-QXMHVHEDSA-N 267.328 3.757 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccsc1Cl 351533275 IXJAIFWZCFPAFJ-UHFFFAOYSA-N 285.800 3.853 30 20 CHED CCCNc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 443981863 CONNPMUPKZNUBT-UHFFFAOYSA-N 293.414 3.978 30 20 CHED C=CCOCCCSCc1ccc(CC#N)cc1 359114402 FYNXXBASXUHORS-UHFFFAOYSA-N 261.390 3.579 30 20 CHED C=C(C)CN(CCOCC(C)C)Cc1cnn(C(C)C)c1 352920805 APJFOAMDMFYVDN-UHFFFAOYSA-N 293.455 3.515 30 20 CHED COc1ccc2c(c1)CCCN(Cc1ccc(C#N)s1)C2 537637163 LQZKXRGDPNYYBJ-UHFFFAOYSA-N 298.411 3.577 30 20 CHED N#Cc1cccc(CNC(=O)c2cccc(C3CCC3)c2)c1 538566054 IMOIDKUFQQLPNZ-UHFFFAOYSA-N 290.366 3.756 30 20 CHED C[C@@H](NCc1cccc(OCCCC#N)c1)C(C)(F)F 449415234 ODOKJKJYXLQLRV-GFCCVEGCSA-N 282.334 3.502 30 20 CHED C=CCC1(C(=O)Nc2cccc(F)c2O)CCCC1 530005753 NLSCPYNEIGOUAU-UHFFFAOYSA-N 263.312 3.606 30 20 CHED N#Cc1cc(F)c(N[C@@H]2CCOC3(CCCC3)C2)c(F)c1 268980780 RDADBMVDJIHMBA-GFCCVEGCSA-N 292.329 3.740 30 20 CHED C=CCC1(C(=O)N(C)CCc2ccncc2)CCCCC1 448810561 MLLOROFZRCMQLP-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C=C(C)COCCN[C@H](C)c1cc(Cl)ccc1OCC 539062824 GIPXGCGSMPRLNU-CYBMUJFWSA-N 297.826 3.982 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(C)cc1F 352580772 OWOHVKRFCMLCHD-UHFFFAOYSA-N 287.334 3.598 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C)n(C(C)C)n2)c1 448780685 FOGIKMRGOYHJHU-UHFFFAOYSA-N 299.374 3.590 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H](F)C1 357706536 PJESGODTRALCMH-GFCCVEGCSA-N 289.741 3.698 30 20 CHED C=CCOc1ccc(CN2CCSC[C@H]2C)cc1Cl 537631540 QCTKFLGHNMXISU-GFCCVEGCSA-N 297.851 3.842 30 20 CHED C=CC(C)(C)C(=O)N1CCc2ccc(Br)cc21 448965466 ILOWHVZJZJKNDS-UHFFFAOYSA-N 294.192 3.550 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@@H](C)C2(CCC2)C1 357011396 NUQQFIYXSCCFAE-CQSZACIVSA-N 284.403 3.579 30 20 CHED C[C@@H]1CCC[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 269625894 RWOXSDPIAWQHKO-FVQBIDKESA-N 285.391 3.519 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@@H]2CCC[C@@H]2c2ccccc2)C1 449404388 ZKYVEVPXNZHJFE-LAVFITLUSA-N 268.404 3.852 30 20 CHED C[C@H]1CCCC[C@H]1N(C)Cc1ccc(OCC#N)cc1 264540345 HFPSEQSYKVGLJI-WMLDXEAASA-N 272.392 3.599 30 20 CHED CCS[C@H]1CCCCN(Cc2ccc(F)cc2C#N)C1 350947093 DPTBSFHTHQLBKX-INIZCTEOSA-N 292.423 3.805 30 20 CHED CCC[C@H](C(=O)Nc1cc(CC#N)ccn1)c1ccccc1 532434426 WDGBCDZSGZMUPZ-INIZCTEOSA-N 293.370 3.670 30 20 CHED CC1(C#N)CCC(NCc2coc(-c3ccccc3)n2)CC1 449157730 WKIDZDHVWYFPKW-UHFFFAOYSA-N 295.386 3.904 30 20 CHED C[C@H]1CCCC[C@@H]1OCCNC1CCC(C)(C#N)CC1 449084861 ZHKNUIGVWIFCME-SOEBMCCKSA-N 278.440 3.644 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](C)CCC[C@@H]1C 539402240 DHGSSJCNQDQDSV-CVEARBPZSA-N 281.440 3.787 30 20 CHED CC[C@H](C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 264329696 JZWMPTNLWASSJS-KWQFWETISA-N 285.174 3.720 30 20 CHED C=CCN(C(=O)COc1cc(C)c(Cl)c(C)c1)C1CC1 536819475 CSUWPDUZIBMXDG-UHFFFAOYSA-N 293.794 3.513 30 20 CHED Cc1cc(C#N)ccc1Cn1ccc(-c2cccs2)n1 614392325 JSBWMPDEDQREFR-UHFFFAOYSA-N 279.368 3.840 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@H](CC(C)C)C1)C1CC1 538580750 FXKPFNKJZUEENR-ZACQAIPSSA-N 265.441 3.915 30 20 CHED C[C@H](CCCC(F)(F)F)N[C@@H]1CCC[C@@H](C#N)C1 618578085 YPFFDHXPFIJABA-IJLUTSLNSA-N 262.319 3.779 30 20 CHED COCc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 271910681 DOXZTLXGUUWARN-ZDUSSCGKSA-N 298.361 3.695 30 20 CHED COCC[C@H](Nc1ccc(F)cc1C#N)c1ccc(C)o1 272248939 SGCCQPTVSNUVHD-HNNXBMFYSA-N 288.322 3.789 30 20 CHED COc1cccc(CCCNc2cccc(CC#N)c2)c1 453142500 IGDMPXZQWMEDCX-UHFFFAOYSA-N 280.371 3.806 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C3CC3)nc2C)C1 617778870 PXIMRRYOALZGHC-CQSZACIVSA-N 284.403 3.696 30 20 CHED Cc1ccc(C)c(OC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 278761271 XVOARCDFFCCVRN-IAGOWNOFSA-N 298.430 3.839 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1nc(C)ccc1C#N 271322440 KJTMPJQTNNCOFX-BLLLJJGKSA-N 299.349 3.589 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1c(F)cccc1F 274305285 VGOPSWGNSLIORG-QWRGUYRKSA-N 267.319 3.744 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)NCCCCC#N 369183299 LHGCOKJWCMNWRV-DOTOQJQBSA-N 299.418 3.658 30 20 CHED CC#CCCCC(=O)N[C@@H](CCc1ccccc1)C(F)F 628765178 XFIVIZUTMLKUOJ-HNNXBMFYSA-N 293.357 3.563 30 20 CHED C=C[C@@H](Cc1nc(CC2CC2)no1)c1ccccc1 270364977 YRCPCQYOYBNABJ-ZDUSSCGKSA-N 254.333 3.534 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(SC)c1C 271797021 LMSRATBVTIQWKP-GFCCVEGCSA-N 279.405 3.637 30 20 CHED Cc1cccc(-c2n[nH]cc2CN2CCC(CC#N)CC2)c1 540994600 AOBRESARSRWGCH-UHFFFAOYSA-N 294.402 3.511 30 20 CHED C=CCNC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 621380576 QQLGMVCGQCFURB-ZDUSSCGKSA-N 264.369 3.647 30 20 CHED C=CC(C)(C)C(=O)Nc1cn(CC(C)C)nc1C(F)F 450297354 ISIJUGOXVOASCU-UHFFFAOYSA-N 285.338 3.627 30 20 CHED C=CCCCCNCc1cnc(-c2ccccc2)nc1 547436060 ZHHOVFVNUQLGAI-UHFFFAOYSA-N 267.376 3.590 30 20 CHED C=C(CC)CN1CCC(c2ccc(OC)cc2)CC1 540202680 ASWBCASQJRTGCV-UHFFFAOYSA-N 259.393 3.841 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(CSC)cc1 454677196 FJXAGYQTJYCRBK-UHFFFAOYSA-N 278.421 3.883 30 20 CHED CCn1cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cn1 453376898 PLIPNILQLZDCJT-UGSOOPFHSA-N 294.402 3.503 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccccc1)C1CCCC1 464750774 JIJAVJMHSUJSNQ-BBRMVZONSA-N 272.392 3.792 30 20 CHED C=C(CC)CN[C@@H](C)c1nc(C2CCCCC2)no1 542621225 JGDLIMAFPMMUTP-LBPRGKRZSA-N 263.385 3.734 30 20 CHED COc1ccc(OCc2ccc(CC#N)cc2)cc1C 542220895 LWINBACOENJOAJ-UHFFFAOYSA-N 267.328 3.649 30 20 CHED CC(C)[C@@H](C#N)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 271453160 QAXRGXGLUKCSJW-IUODEOHRSA-N 292.810 3.573 30 20 CHED CC[C@@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)C(C)C 464157465 IVJOPJIRHCKWJX-WFASDCNBSA-N 252.402 3.503 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 542399279 RTYZJLGQDKTEIX-GFCCVEGCSA-N 289.354 3.597 30 20 CHED CCCc1cnc(NC(=O)[C@@H](C)c2cccc(C#N)c2)s1 462608385 WOUJWYZUPCWSGK-NSHDSACASA-N 299.399 3.709 30 20 CHED C[C@H](C(=O)Nc1ccc2[nH]ccc2c1)c1cccc(C#N)c1 461900158 RLISPYYPDRTYGC-LBPRGKRZSA-N 289.338 3.782 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@@H]2CCC[C@H](C)C2)no1 559943974 CSYPVCPMNAYUGR-GXFFZTMASA-N 282.347 3.605 30 20 CHED C=C[C@](C)(CC)C(=O)NCCOc1ccc2ccccc2c1 466362272 KUUHZJFAPZOIID-LJQANCHMSA-N 297.398 3.937 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1nccn1-c1ccccc1 287251571 ZOBLIMNRHYMUDZ-ARFHVFGLSA-N 294.402 3.605 30 20 CHED CCOCC(C)(C)CN[C@H](CC)c1ccc(C#N)cc1 289861878 BPOPBEFZTBBNHX-MRXNPFEDSA-N 274.408 3.662 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 285009001 GGFLLEXKRYCKQP-CQSZACIVSA-N 298.308 3.604 30 20 CHED N#Cc1ccc2c(c1)N(c1ncncc1-c1ccccc1)CC2 552832236 XZWKESNQCSLFMJ-UHFFFAOYSA-N 298.349 3.709 30 20 CHED C=C(C)C[C@H](C)c1nc(-c2n[nH]c3ccccc23)no1 554810928 UNXWBROXOIJDGJ-JTQLQIEISA-N 268.320 3.683 30 20 CHED CCCc1ccc([C@H](NCCOCCC#N)C(C)C)cc1 555405336 POIZKUXSOWZQRW-GOSISDBHSA-N 288.435 3.856 30 20 CHED C=CCNC(=O)[C@H](C)SCC[C@H]1CCC[C@H](C)C1 465460063 STFUGWZBDABVLZ-MELADBBJSA-N 269.454 3.627 30 20 CHED C=CCC(C)(C)CN[C@H]1CCc2ccc(C#N)cc21 551242249 YYDHGBOBJMZFHI-INIZCTEOSA-N 254.377 3.737 30 20 CHED C#C[C@@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1F 804418593 QRLUWJFEIQPYIN-CYBMUJFWSA-N 293.750 3.645 30 20 CHED CCc1noc(CC)c1CNc1cccc(Cl)c1C#N 297403587 FYQIQRGBBDNEOR-UHFFFAOYSA-N 289.766 3.937 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(C2CCCC2)cc1 290805849 UYRPOOYSOHXXBX-MRXNPFEDSA-N 270.376 3.766 30 20 CHED Cc1ccc(CCOC(=O)c2cc(C#N)ccc2Cl)cc1 803834015 NOKIPRQIYFUVKJ-UHFFFAOYSA-N 299.757 3.920 30 20 CHED CCCc1nc(C)c(CN[C@@H](C)c2cccc(C#N)c2)o1 293751278 RKHXZYJGBMBASC-LBPRGKRZSA-N 283.375 3.658 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1oc(C(C)C)nc1C 292150030 JFEDJPWNWCBCOO-UHFFFAOYSA-N 283.331 3.539 30 20 CHED C=CCCCCCN(C)C(=O)c1oc(CCC)nc1C 293201716 QGEHGZLCDMBLQZ-UHFFFAOYSA-N 278.396 3.754 30 20 CHED C=CCOc1ccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc1 568447608 YWYXYGAYBQIXPH-SLFFLAALSA-N 291.394 3.679 30 20 CHED Cc1ccc(Nc2ccccc2C(=O)NC[C@@H](C)C#N)cc1 561491658 ANJUEOMQEWEKFA-AWEZNQCLSA-N 293.370 3.628 30 20 CHED C#C[C@@H](NCc1ccc(OC)c(O[C@@H](C)CC)c1)C(C)C 809685138 BICKRPQGZIMWQF-GOEBONIOSA-N 289.419 3.620 30 20 CHED CCCC[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(C#N)cc1 569972193 AALZCJVQIAHFOK-UONOGXRCSA-N 287.407 3.839 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1cc(C#N)c2ccccc2n1 568378420 FXZLEXSMZJWKRX-RYUDHWBXSA-N 281.359 3.727 30 20 CHED CC(=O)c1ccc(Oc2nc(Cl)c(C#N)s2)c(C)c1 804430547 SHNFYUPEPGFSQB-UHFFFAOYSA-N 292.747 3.972 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1cn(C)c(C)n1 800814342 NLLFNJUUTUMBDO-UHFFFAOYSA-N 296.296 3.583 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2ccc3ccccc3c2)nn1 806569363 SASSZFOFMACPDN-KTKRTIGZSA-N 291.354 3.908 30 20 CHED N#Cc1cncnc1Oc1ccc(OC2CCCCC2)cc1 567750050 FYTITCCXKFAZBI-UHFFFAOYSA-N 295.342 3.852 30 20 CHED C=CCOc1ccccc1-c1nc([C@@H](CCC)OC)no1 296329640 GGTYPYKUYRWGMM-CQSZACIVSA-N 288.347 3.789 30 20 CHED C=CCCCC[C@H](C)Nc1cnc2c(c1)COCC2 648495621 NAMCDAZYWYGFCQ-ZDUSSCGKSA-N 260.381 3.701 30 20 CHED C=CCC(F)(F)c1nc(Cc2ccc(F)c(F)c2)no1 645563180 AJNHVPFMONSGNX-UHFFFAOYSA-N 286.228 3.607 30 20 CHED C#Cc1ccccc1CC(=O)N(CC(F)F)c1ccccc1 813037576 ADLNORQOQCNRSF-UHFFFAOYSA-N 299.320 3.509 30 20 CHED CC(C)COc1ccc(C=NN[C@@H](C)c2ccncc2)cc1 819815618 SJFAPAQFBASLPX-HNNXBMFYSA-N 297.402 3.801 30 20 CHED N#CCN(CCc1cccc(Cl)c1)C1CCCC1 485238383 QDFPPIYJPKGMPV-UHFFFAOYSA-N 262.784 3.651 30 20 CHED C[C@H]1CSCC1=NNc1cc(Cl)nc(Cl)c1 819828566 ILFRTVZJNAGQCN-LURJTMIESA-N 276.192 3.539 30 20 CHED C#CCC1(OC(=O)c2cc3ccccc3o2)CCC1 810747633 VUNUWHHAAIKFJC-UHFFFAOYSA-N 254.285 3.536 30 20 CHED C[C@H]1C(=NNc2ccc(Cl)c(F)c2)CC[C@H]1CC(=O)O 814862755 QQKBXTZDWKMHOZ-BDAKNGLRSA-N 298.745 3.768 30 20 CHED N#CC1(CN=c2ccc3c(Cl)ccc(Cl)c3[nH]2)CC1 578066668 RUMKHGUNRFAOMX-UHFFFAOYSA-N 292.169 3.679 30 20 CHED C[C@H]1CC(=NNc2c(F)cccc2Cl)CC[C@@H]1C(=O)O 814904869 CBAFLEFCNFUMGE-WPRPVWTQSA-N 298.745 3.768 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C 819479272 DQKTVSHREABRMF-MCIONIFRSA-N 286.375 3.742 30 20 CHED C=CCCCCCN(C)C(=O)Cc1cc(F)c(F)cc1F 488222804 PPZYSIUJUPJNDK-UHFFFAOYSA-N 299.336 3.851 30 20 CHED CC(C)c1ccc(O[C@@H](C)CNc2cnccc2C#N)cc1 576013087 KCOBCKTVADOXAB-AWEZNQCLSA-N 295.386 3.956 30 20 CHED C=CCCCCCN[C@H](C)c1ccc2nc(O)oc2c1 655807734 SWMSDMAEJCZLAD-GFCCVEGCSA-N 274.364 3.930 30 20 CHED COc1ccc(C[S@@](=O)CCC(C)(C)C#N)cc1Cl 574972759 WDNBAXXNXNRUKL-IBGZPJMESA-N 299.823 3.537 30 20 CHED C=C(Cl)CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 717976910 XWTJJYANSVYSPO-LSDHHAIUSA-N 279.811 3.712 30 20 CHED CC#CC(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl 818348628 BNKVWCSNWXQDLS-OAHLLOKOSA-N 289.806 3.677 30 20 CHED C=CCCCCCCCNC(=O)N(C)[C@H](C)CC 812495949 ZAPCZBANBSQWDN-CQSZACIVSA-N 254.418 3.953 30 20 CHED C#Cc1ccccc1CC(=O)N(C)c1cccc(SC)c1 811884722 OEODIWZXSNLIQH-UHFFFAOYSA-N 295.407 3.595 30 20 CHED Cc1cc(C)c(C#N)c(SCC(C)(C)CC#N)n1 570294597 VSIAFPWUWNYALR-UHFFFAOYSA-N 259.378 3.602 30 20 CHED CC#CCCN[C@H]1CCC[C@H]1c1ccccc1Cl 482164840 QGKIHOUCVONBIS-HOCLYGCPSA-N 261.796 3.979 30 20 CHED Cn1cc(NN=Cc2c[nH]c3ccc(C(C)(C)C)cc23)cn1 811649584 RHEQJZREASNKFD-UHFFFAOYSA-N 295.390 3.645 30 20 CHED C#Cc1ccc(C(=O)Oc2cccc(Cl)c2Cl)nc1 728799757 FQKFGNWAXXXGAT-UHFFFAOYSA-N 292.121 3.589 30 20 CHED CC(CCCO)=NNc1cc(Cl)ccc1Cl 814860041 BAUZUFJXPIBFRK-UHFFFAOYSA-N 261.152 3.554 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCCCOC(C)C 657969836 FXJRVDFWEBVMTJ-HZPDHXFCSA-N 253.430 3.916 30 20 CHED CC(C)(C)c1ncc(C=NOCCC2CC2)s1 814245367 PUVVWMRQRBJJEV-UHFFFAOYSA-N 252.383 3.591 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CC[C@H](CC)O1 810768738 VOKUMDDAHYVYEL-GJZGRUSLSA-N 267.413 3.587 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 488591976 QZEBZQSSYROYNQ-AWEZNQCLSA-N 280.799 3.912 30 20 CHED N#Cc1cccc(C#N)c1N1CC[C@H](c2ccc(F)cc2)C1 480774445 AZPYCPLFEILHAX-INIZCTEOSA-N 291.329 3.563 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@H]1CC1(C)C)c1ccccc1 489334012 NBVHEXBZTJQLIN-CABCVRRESA-N 257.377 3.603 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCc2cccnc21 820884808 WHGJVTJFVBXQKZ-INIZCTEOSA-N 286.419 3.754 30 20 CHED CCC[C@@H](CCc1ccccc1)NCC1(C#N)CC1 574350903 PYVCOCXTIWRCGZ-INIZCTEOSA-N 256.393 3.681 30 20 CHED CC(C)(C)OC(=O)CCCSc1cccc(F)c1C#N 573505890 GSPDILPLJIFNBQ-UHFFFAOYSA-N 295.379 3.911 30 20 CHED CC#CCCNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 497671118 XOFGUSIDTRGEKL-UHFFFAOYSA-N 299.374 3.660 30 20 CHED C=CCCC(=O)O[C@@H](C)C(=O)Nc1cccc2ccccc12 726651997 YJZFNHVVSALLFJ-ZDUSSCGKSA-N 297.354 3.676 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C)c1nc(C)no1 662874004 KKAYRRZCVHHKFW-LBPRGKRZSA-N 263.385 3.507 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)CC(C)(C)C)cc1 589828898 GOCLTVILZIRGPW-HNNXBMFYSA-N 272.392 3.708 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1oc(CCC)nc1C 905738341 DRLAAWJAVAQEKZ-LBPRGKRZSA-N 265.353 3.581 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cccc(NC(=O)CC)c2)no1 582691327 XVLLAXVGAOYQPL-KRWDZBQOSA-N 299.374 3.939 30 20 CHED CCN(C(=O)Nc1scc(C)c1C#N)[C@H](C)C(C)C 581139817 HQNLYDFZMAMTIH-LLVKDONJSA-N 279.409 3.827 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC[C@H](C2CC2)C1 737416849 VKMXJAHWMSLNFB-LBPRGKRZSA-N 273.336 3.963 30 20 CHED CC[C@@H](C)c1ccc(C(=O)COC(=O)C2(C#N)CCC2)cc1 736842407 ZKRHZVRMNVLZHJ-CYBMUJFWSA-N 299.370 3.620 30 20 CHED CCCCCNC(=S)NN=C(CC)CCCC 732924429 ZWSXUQQSTOCFRL-UHFFFAOYSA-N 257.447 3.597 30 20 CHED O=C(C1[C@@H]2CCCCCC[C@@H]12)N(O)Cc1ccc(F)cc1 901376069 OSCOGSOJSZVHJD-HUUCEWRRSA-N 291.366 3.760 30 20 CHED CC[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 903054340 WXMUKIOAKIBGMC-RTBURBONSA-N 292.382 3.992 30 20 CHED C=CC[C@H]1CCCN(c2ncnc3cccc(F)c23)C1 664254387 WJQNYFJFELFUEZ-LBPRGKRZSA-N 271.339 3.561 30 20 CHED CCCCCCCCS(=O)(=O)C/C=C/Cl 906052945 FAIIXCNFKCXQPK-CMDGGOBGSA-N 252.807 3.514 30 20 CHED C=CCCNC(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 665941292 WVLOYUPSGAATGY-KRWDZBQOSA-N 290.382 3.508 30 20 CHED C=CC1CCN(Cn2cc(-c3ccc(C)cc3)cn2)CC1 732181175 MKKASPJZDKHSDS-UHFFFAOYSA-N 281.403 3.714 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1cc(F)ccc1F 903033786 ABLFHHUSUUGIFP-SNVBAGLBSA-N 253.292 3.530 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(CC)c(Cl)c2)CC1 831798259 IDXNJTJPMJPUKT-UHFFFAOYSA-N 290.794 3.780 30 20 CHED O=C(CCCC1CCCC1)N(O)Cc1ccc(F)cc1 901371462 CTBVPFHHIPQWAV-UHFFFAOYSA-N 279.355 3.904 30 20 CHED Cc1ccc(-n2cc(N[C@H]3CC[C@H](C#N)C3)cn2)c(C)c1 580031605 UJVPUMIEQVHHCV-GJZGRUSLSA-N 280.375 3.593 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1ccc(C#N)cc1OC 582151913 WIEFKCRIAUWEEH-GFCCVEGCSA-N 289.379 3.609 30 20 CHED N#CCC1(CNC(=O)Nc2ccc(F)c(C3CC3)c2)CC1 584032175 JMXXHFJXUCSKGX-UHFFFAOYSA-N 287.338 3.518 30 20 CHED C=CC(C)(C)C(=O)OC[C@H]1CCO[C@H]1c1ccccc1 835318162 ZFLADPQZYGUTPV-CABCVRRESA-N 274.360 3.520 30 20 CHED CC(C)Oc1cccc(OC(=O)c2cccc(CC#N)c2)c1 730930959 JWKHIYFIWGMPPQ-UHFFFAOYSA-N 295.338 3.759 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@H]2Cc2ccccc2)n1 735609293 RVFTZWLIOUZHSJ-INIZCTEOSA-N 294.402 3.904 30 20 CHED C=C(C)COC(=O)Cc1c(C)nc2ccccc2c1C 916595565 RTWXODRJPJDIHB-UHFFFAOYSA-N 269.344 3.513 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N[C@H](C)C#N 586756606 YRWHUGYCDUCDNI-ZBUZPQQSSA-N 276.424 3.647 30 20 CHED CC[C@H](C)CC=NNc1cccc(F)c1[N+](=O)[O-] 834975783 DGDAXGAZPOVEFG-VIFPVBQESA-N 253.277 3.568 30 20 CHED CCCNN=Cc1ccc(OCc2cccc(F)c2)cc1 915965587 UUQZAPJFMWDEPF-UHFFFAOYSA-N 286.350 3.738 30 20 CHED N#C[C@@H](Cc1ccccc1)Nc1ccc2c(c1)C(=O)CCC2 674237355 FEPYPBCQGWDQTE-QGZVFWFLSA-N 290.366 3.752 30 20 CHED C[C@@H](/N=C\c1cc2ccccc2nc1O)c1ccccn1 912777376 BBYQADDIFHCMQZ-ZDFPAGSVSA-N 277.327 3.516 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)C1CC1 839892775 ZZTJDZMOTHPAEU-YOEHRIQHSA-N 271.404 3.726 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(F)cc1C#N 596787869 BBHTYMFWJBMMNE-UHFFFAOYSA-N 275.327 3.564 30 20 CHED CCCCCCCC(=O)N(C)Cc1nc2ccccc2[nH]1 913484599 IMQAEIOPXIGLAG-UHFFFAOYSA-N 287.407 3.882 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)c1)[C@H]1CCOC1 741837459 KRTSMYBKUVXHGY-JTQLQIEISA-N 286.297 3.920 30 20 CHED Cc1nc(SCCOc2ccc(C#N)cc2)sc1C 741855625 DWPNJNBJECCAJS-UHFFFAOYSA-N 290.413 3.803 30 20 CHED C[C@H]1OCCC1=NNc1ccc(Cl)cc1Cl 747740565 FRWHKQKGUTVIKS-SSDOTTSWSA-N 259.136 3.570 30 20 CHED C[C@@H]1C[C@H](NCCc2ccc(C#N)cc2)c2ccccc21 595055713 IALKGFOBIOXYPQ-KUHUBIRLSA-N 276.383 3.939 30 20 CHED N#Cc1ccc(NN=C2CCCOc3ccc(F)cc32)cc1 915962552 NSZNUTWTXCUFQK-UHFFFAOYSA-N 295.317 3.686 30 20 CHED C=C(CNC(=O)C(C)(C)c1ccccc1)c1ccccc1 673342241 VMMGNJGEOAIRRV-UHFFFAOYSA-N 279.383 3.794 30 20 CHED C[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)[C@@H](C)[C@@H]1C 842167183 RZQITRZZOSYUET-UPJWGTAASA-N 292.810 3.719 30 20 CHED Cc1cc(C)c(NN=Cc2ccc([N+](=O)[O-])cc2)c(C)c1 916339841 WQHPOBVBKKXOJZ-UHFFFAOYSA-N 283.331 3.966 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 593745032 YKFRUYRXNWBJPM-XOSAIJSUSA-N 284.403 3.625 30 20 CHED CC[C@H](C)CCNCc1cccc(OCCCC#N)c1 594968057 MWMJGVBLRQYGEC-HNNXBMFYSA-N 274.408 3.895 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1[C@H]2CCCCCC[C@H]12 597002405 BFUUROCFKSRUCA-KBPBESRZSA-N 298.386 3.722 30 20 CHED C=C(C)CONC(=O)N[C@H](CCC)c1ccc(F)cc1F 845601745 ODQIHYNPJIXXET-CQSZACIVSA-N 298.333 3.613 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cc1)c1ncc(C(C)(C)C)o1 747673968 RXINLPIVUVZZFZ-NSHDSACASA-N 298.342 3.762 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCCC[C@@H]1CCC 590640015 IXUFMHDALGGTEY-LSDHHAIUSA-N 264.413 3.729 30 20 CHED CCCC[C@@H](CC)C(=O)OCc1cccc(C#N)c1 919222640 GQZGOXBFKSTLNI-OAHLLOKOSA-N 259.349 3.818 30 20 CHED C=CCCCOC(=O)c1scnc1C(C)(C)C 747057275 QAWVEHMBCVPGLE-UHFFFAOYSA-N 253.367 3.564 30 20 CHED C=CCN(C(=O)NCCSc1ccc(C)cc1)C(C)C 918060840 YULGKTQWDSBFOK-UHFFFAOYSA-N 292.448 3.693 30 20 CHED C=CCN(C(=O)c1nc(-c2cccs2)oc1C)C(C)C 915854298 BEXYKORPIKBIHX-UHFFFAOYSA-N 290.388 3.748 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1Br)C1CC1 595765748 NMAHGGKLAPCBSO-AWEZNQCLSA-N 293.208 3.599 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)C(C)(C)c1ccccc1 599318134 UWGFUFKSEGHIRD-CQSZACIVSA-N 286.419 3.799 30 20 CHED CCN(C(=O)c1ccc(C)c2ccccc12)[C@@H](C)C#N 598350337 PQBJEXWSHRUBMD-ZDUSSCGKSA-N 266.344 3.522 30 20 CHED CCCCC[C@](C)(CC)C(=O)NCC1(C#N)CCC1 841466811 HYSBFVQANMANMJ-HNNXBMFYSA-N 264.413 3.793 30 20 CHED CC1(C)C[C@@H](C(=O)OC2(CC#N)CCC2)c2ccccc2O1 842352936 MAXCAZOOJPYSIC-CQSZACIVSA-N 299.370 3.711 30 20 CHED CC/C=C(\C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 918578284 UZMRVIOMKOUBRE-GIDUJCDVSA-N 284.403 3.899 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(Cl)cc1 593114794 GDJVWURUZXSCDJ-BDJLRTHQSA-N 292.810 3.888 30 20 CHED FC(F)Oc1ccccc1C=NOCCC(F)(F)F 740872082 GXYGWWGXDDZJPG-UHFFFAOYSA-N 283.196 3.591 30 20 CHED N#CC1(c2cccc(-c3ccc(OC(F)F)nc3)c2)CC1 596637740 OEJODGIGDRZPHT-UHFFFAOYSA-N 286.281 3.905 30 20 CHED C[C@H]1CCc2sc(NC(=O)[C@H]3C[C@H]3C)c(C#N)c2[C@@H]1C 591003949 PZERKEQNWKTQJW-ZDCRXTMVSA-N 288.416 3.900 30 20 CHED C[C@@H](c1c(F)cccc1F)N1CCC[C@@H](CC#N)C1 595611237 ICQMHMLEWSRZEZ-RYUDHWBXSA-N 264.319 3.651 30 20 CHED CC[C@@H](CC(F)F)CN(C#N)c1ccc(F)c(C#N)c1 594895141 HYJLPOMYOHTVOL-JTQLQIEISA-N 281.281 3.666 30 20 CHED C=C(C)CON=C1CCC[C@H](c2ncccc2C)C1 844618176 KPZRUVKVTDMWQR-AWEZNQCLSA-N 258.365 3.996 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H]1CCCC[C@H]1F 847712751 KTJBWYSLLURYFN-DAXOMENPSA-N 289.350 3.561 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1cccc(O)c1 740764612 ZYRSCFCMGQBOGG-HJWRWDBZSA-N 275.307 3.837 30 20 CHED COCCON=C1CC[C@@H](c2cccc(Cl)c2)C1 841627816 CZWUZIAKSUNZPE-GFCCVEGCSA-N 267.756 3.627 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(OC)c(Cl)cc1OC 929319670 YYLOPLGPSNVHAE-SNVBAGLBSA-N 297.782 3.898 30 20 CHED CO[C@H](C#N)c1ccc(-c2ccc(CN(C)C)c(F)c2)cc1 844230374 WQIDRFDYPCTWAP-GOSISDBHSA-N 298.361 3.765 30 20 CHED CC(C)c1nn(C)cc1-c1ccc(OCCC#N)cc1 844230626 STSCKICKJSVHLK-UHFFFAOYSA-N 269.348 3.503 30 20 CHED C#C[C@@H](OC(=O)c1ccnn1C(CC)CC)c1ccccc1 842391751 SUUCOEHFUPAOHH-QGZVFWFLSA-N 296.370 3.776 30 20 CHED CC[C@@H](C(=O)N1CCC[C@@H](C#N)C1)C1CCC(C)CC1 928217386 AHVLXDCRIXIXME-BHDPWAOGSA-N 276.424 3.601 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCCCCC1 846768039 VIBASBVWLHSGGR-HNNXBMFYSA-N 284.403 3.530 30 20 CHED C#CCCOc1ccc(C=NNc2ccccc2F)cc1 920371460 KBKODDOIPKFORB-UHFFFAOYSA-N 282.318 3.674 30 20 CHED CCOc1ccc(OC)cc1N[C@@H](C)CC(C)(C)C#N 926082605 LGOSBTQNLJZARA-LBPRGKRZSA-N 276.380 3.834 30 20 CHED C/C(=C/C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cccs1 857033636 ZGZRKEWPMRFQLF-ZBNJQPBLSA-N 275.373 3.777 30 20 CHED C=C[C@H](C)Nc1nc(C(F)(F)F)nc2ccccc12 756979276 XMJNOXBTURPGCA-QMMMGPOBSA-N 267.254 3.635 30 20 CHED C[C@H]1CCCC[C@@H]1OCCOC(=O)C1(C#N)CCCCC1 920672972 IMDGOMLHFFGXDQ-GJZGRUSLSA-N 293.407 3.599 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2cccc3c2OCC3)cc1 858232435 XUQQVDNZGZNIBO-ZDUSSCGKSA-N 294.354 3.524 30 20 CHED C#CCOCCC(=O)Nc1ccc2oc3ccccc3c2c1 755430514 SSRZRWAROGDMGX-UHFFFAOYSA-N 293.322 3.564 30 20 CHED Cn1ncc(C2CC2)c1C=NNc1cc(F)cc(Cl)c1 853395977 QXQJASPXJFKURS-UHFFFAOYSA-N 292.745 3.536 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2nc(Cl)cs2)cc1 759071135 FQULCYSKLFCTOB-AATRIKPKSA-N 274.732 3.564 30 20 CHED COc1ccc(NN=C(CSC)c2ccccc2)cc1 750922500 QBOXEXYCTVMPNP-UHFFFAOYSA-N 286.400 3.874 30 20 CHED FC(F)CON=Cc1c(Cl)cccc1N1CCCC1 758906069 AHLFBDTZHOTDPI-UHFFFAOYSA-N 288.725 3.556 30 20 CHED CCC1(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 750682693 KEBWIPKOMKEMHJ-ZDUSSCGKSA-N 264.328 3.601 30 20 CHED C#CCNC(=S)Nc1ccc(S[C@@H](C)CC)cc1C 758215366 KJLRAUVPSNNMHR-LBPRGKRZSA-N 292.473 3.805 30 20 CHED CC(=NNc1ccc(F)cc1C)c1scnc1C 750938679 LXSUMUCAGGIMDB-UHFFFAOYSA-N 263.341 3.735 30 20 CHED CCOCCON=C(C)c1cc2ccc(C)cc2o1 754973118 IZFOGIGGMCUIKY-UHFFFAOYSA-N 261.321 3.518 30 20 CHED CC1(C)CCC[C@H](CNCc2ccc(OCC#N)cc2)C1 752065929 CRWACIMRGKQOLO-INIZCTEOSA-N 286.419 3.895 30 20 CHED C#C[C@H](NCc1cnc(C2CC2)o1)c1ccc(Cl)cc1 862370382 KMZPGVIWEFNSDS-HNNXBMFYSA-N 286.762 3.670 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)o1)c1cc(C)ccc1C 863274531 QILZHNCBJGTYRL-OAHLLOKOSA-N 282.343 3.649 30 20 CHED C[C@H](OC(=O)[C@@H](F)c1ccccc1)c1cccc(C#N)c1 769294607 RPQFEYBMHGLCTB-LRDDRELGSA-N 283.302 3.873 30 20 CHED Clc1ccc(CNN=Cc2cccs2)cc1 864026816 GJKZKOGBFSDNKH-UHFFFAOYSA-N 250.754 3.525 30 20 CHED CC(=NNc1cnn(C)c1)c1ccc(Cl)c(Cl)c1 761881966 SNXRKPMNVSHOLU-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H]2CC=CCC2)n1 761991076 GDYZGIPACOESPN-CYBMUJFWSA-N 280.327 3.572 30 20 CHED C=C(Cl)CNC(=O)c1ccc(C(C)(C)C)s1 763396018 OCYVKMAIDBCEAM-UHFFFAOYSA-N 257.786 3.528 30 20 CHED Cc1c(C#N)cccc1NC(=S)N[C@H]1CCCC[C@@H]1C 769794770 HCBRLRDIIYNHRL-FZMZJTMJSA-N 287.432 3.732 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 767258022 SBYMHJBBOFZDTG-XDTLVQLUSA-N 296.197 3.577 30 20 CHED CSc1ccc(/C=C\C(=O)O[C@H](C#N)C(C)(C)C)s1 860646689 KAFSBKRPHRVMNH-JPVGGKMYSA-N 295.429 3.965 30 20 CHED CON=C1CCCc2c(Cl)sc(Cl)c21 760240838 AZFZZIMQTUFSBS-UHFFFAOYSA-N 250.150 3.742 30 20 CHED Clc1ccccc1CNN=C1CCCc2scnc21 863081909 AWPSZBYZPOIUKJ-UHFFFAOYSA-N 291.807 3.627 30 20 CHED C=CCC(CC=C)C(=O)OC1CCC(F)(F)CC1 860972225 XHYOOXGQHISJIW-UHFFFAOYSA-N 258.308 3.876 30 20 CHED C=CC[C@H]1N(C(=O)/C=C/c2cccnc2)CCCC1(C)C 767218876 LTTGXQSVUMGROM-ZNFPLGDCSA-N 284.403 3.688 30 20 CHED C=CCCCCNC(=S)Nc1c(C)cccc1C 769760907 RTFZPGUTYMMUEX-UHFFFAOYSA-N 262.422 3.946 30 20 CHED C#CCN(C(=O)c1nc2ccccc2s1)C1CCCCC1 766833441 JSGVDTLVJGMEIY-UHFFFAOYSA-N 298.411 3.704 30 20 CHED CC#CCCOC(=O)[C@H](C)Oc1cccc2ccccc12 769347583 GQFZCIIOQIHKKG-AWEZNQCLSA-N 282.339 3.564 30 20 CHED c1cc2c3c(c1)C(=NO[C@H]1CCCCO1)C[C@@H]3CCC2 763369314 FKDFCNWERSVVPP-BBRMVZONSA-N 271.360 3.758 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H]1CCCC1(C)C 773969620 BUHUDUHNRLQTMK-CYBMUJFWSA-N 287.359 3.689 30 20 CHED CC(=NNCC(C)C)c1ccc(OCC(F)(F)F)cc1 771557860 PNGAGAWFUYXUOX-UHFFFAOYSA-N 288.313 3.597 30 20 CHED C#CCCCCCC(=O)N1CCc2sccc2[C@@H]1C 779766691 IYARSHJQQHZTGJ-ZDUSSCGKSA-N 275.417 3.778 30 20 CHED C=CCN(CC=C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl 877957810 DEVAFHUJPKVFPA-ZDUSSCGKSA-N 292.810 3.649 30 20 CHED C#CCCCCCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 779712504 CIWYBCSBQLPUQY-FXUDXRNXSA-N 261.409 3.511 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(F)nc1 777438125 QGJGQOFGRLUOAS-GFCCVEGCSA-N 251.349 3.503 30 20 CHED Cc1cccc(OC(=O)c2cccc(F)c2C#N)c1C 777413350 HCONDHRJGHQDFF-UHFFFAOYSA-N 269.275 3.533 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCC[C@@H]1CCO 779536373 MVBHGGTYYHCNMS-JKSUJKDBSA-N 298.471 3.539 30 20 CHED C=C[C@H](COC)N[C@H](C)[C@@H](C)c1ccc(Cl)cc1 1116865668 QQYYEDATHFRQPW-LALPHHSUSA-N 267.800 3.623 30 20 CHED Cn1cc(C=NN[C@@H]2CCCCC2(C)C)c(C(C)(C)C)n1 773126913 WUTYKQJZNVIBNS-CQSZACIVSA-N 290.455 3.610 30 20 CHED C#CCCCCCC(=O)N1c2ccccc2N(C)CC[C@H]1C 779961593 WTIWJFGSIPCTCA-MRXNPFEDSA-N 298.430 3.832 30 20 CHED C#CC[C@H](NCc1cccc(N(C)C)c1)c1ccccc1 775400788 MPKMUVVBGFHBMG-IBGZPJMESA-N 278.399 3.607 30 20 CHED C[C@H](OC(=O)c1cccc2c1CCC2)c1cccc(C#N)c1 1127090271 DKHUGULXOASTOM-ZDUSSCGKSA-N 291.350 3.965 30 20 CHED C=C(C)COc1cccc(NCc2c(O)cccc2OC)c1 770558723 JEQKRIZKRWQUPH-UHFFFAOYSA-N 299.370 3.968 30 20 CHED C#Cc1ccc(C(=O)N(CC(C)(C)C)c2ccccc2)nc1 776974945 ACSZGMKXAFJFIY-UHFFFAOYSA-N 292.382 3.756 30 20 CHED C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(C#N)c(F)c1 777271455 YITXUJQCKFTALP-NSHDSACASA-N 286.354 3.822 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1cc(C#N)ccc1C 1124439963 LSQZGFNBAMJYEK-UHFFFAOYSA-N 292.382 3.919 30 20 CHED CCc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)s1 786391335 AUTFHNCCYWEIRL-HNNXBMFYSA-N 296.395 3.599 30 20 CHED CC(/C=C\C(=O)c1cc(C)nn1C)=C/c1ccccc1 789158864 ILXXRYWBLHBRGT-ZRQQEUPBSA-N 266.344 3.571 30 20 CHED CC(C)c1ncc(/C=C2\Cc3cc(O)ccc3C2=O)s1 780188859 ZOGZWVDQCKDUGB-YRNVUSSQSA-N 285.368 3.795 30 20 CHED CCCCCCCCCN(C)Cc1ccnc(N)c1 785661673 WCEGLPDXSLNBOU-UHFFFAOYSA-N 263.429 3.846 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2ccncc2)c(C)c1 785504298 UNCNMACEYHIMHD-UHFFFAOYSA-N 294.354 3.924 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)OCC1(C#N)CCCC1 780534753 RKAGNSKVZINYEK-UHFFFAOYSA-N 282.343 3.717 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)[C@]1(C)CCCO1 782269976 ZHKRLRXXWPAQDE-AWEZNQCLSA-N 277.755 3.569 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccc(C2CCC2)cc1 783276353 DDULCPYSEMHZJJ-UHFFFAOYSA-N 286.419 3.791 30 20 CHED N#Cc1ccc(CNCCCCCOc2ccccc2)cc1 783594953 KEDPBZHTPNHRGN-UHFFFAOYSA-N 294.398 3.897 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NOCc1cccnc1 782227341 JTXDRFRAYJINHB-UHFFFAOYSA-N 283.306 3.561 30 20 CHED C[C@@]1(C#N)CCCN(C(=S)Nc2ccc(Cl)cc2)C1 783774033 QPPKJURSNWFFNL-AWEZNQCLSA-N 293.823 3.662 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccsc1 892558130 LQTLOVHGMDYRSI-UHFFFAOYSA-N 284.384 3.826 30 20 CHED CC(C)(C)CCNN=C/C=C/c1ccccc1[N+](=O)[O-] 782902477 ASISYKPRYPTWLQ-HLOILOBTSA-N 275.352 3.620 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(SC)ccc1Cl 781131253 FZGSKCFPLWEIKU-QMMMGPOBSA-N 269.753 3.521 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(CC#N)c2ccccn2)cc1 892469441 HUPBOJDBWMZNSV-AWEZNQCLSA-N 293.370 3.765 30 20 CHED C=CCC1(c2nc(-c3ccc(C)nc3O)no2)CCCCC1 896209316 XXVRKMVQLAULAN-UHFFFAOYSA-N 299.374 3.924 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C\c1cnccc1C 783981073 ZLRXDXFYPFEDBX-KTKRTIGZSA-N 298.430 3.998 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc2cnccc2c1 893835497 XRHJBUQXNVVXNF-UHFFFAOYSA-N 255.317 3.743 30 20 CHED CCOc1c(Cl)cc(C=NOCCC2CC2)cc1OC 783554755 IECGRGZRGFFJAA-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C=CCCCCCOC(=O)CC[C@H]1CC[C@H](C)O1 783942835 HIBMOZDXYUFIEI-UONOGXRCSA-N 254.370 3.624 30 20 CHED C=C1CC(c2noc(-c3cn(C)c4ccccc34)n2)C1 896890727 VLUWNKOPNZWXJI-UHFFFAOYSA-N 265.316 3.662 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Oc1ccc(C#N)cc1OC 792864351 AXMFGERQXDOCMM-KGLIPLIRSA-N 287.359 3.689 30 20 CHED CC[C@H](C)NN=Cc1cc(Cl)ccc1Br 790184449 VTBRTADQRPHVPW-QMMMGPOBSA-N 289.604 3.825 30 20 CHED C=CCCOCCCCC(=O)O[C@@H]1CCCC1(C)C 799503774 UBCVRCQTBJTXTP-CQSZACIVSA-N 268.397 3.871 30 20 CHED CC[C@@H](C)CON=C1CCN(c2ccc(OC)cc2)CC1 793163249 HTLZZDXLFBITLU-CQSZACIVSA-N 290.407 3.714 30 20 CHED O=C1/C(=C\c2cccc(F)c2)COc2cc(F)ccc21 794728631 SHKFTZVVZZOCHY-WDZFZDKYSA-N 272.250 3.624 30 20 CHED CC(CCc1ccccc1F)=NNc1cccc(F)n1 795007930 RUMDFFZYPSLNIQ-UHFFFAOYSA-N 275.302 3.780 30 20 CHED C#C[C@H](CCC)NC(=O)C(C)(C)c1cccc(Cl)c1 791750488 NUWRTKQIULPWHU-CQSZACIVSA-N 277.795 3.536 30 20 CHED CC(=NNCc1ccc(-c2ccccc2)cc1)c1ncc[nH]1 790167224 NPQLQMWGAFIRKV-UHFFFAOYSA-N 290.370 3.591 30 20 CHED C=C(Cl)CNC(=O)c1cc(-n2cccc2)ccc1Cl 1147304563 PMRGYANVVPCCLF-UHFFFAOYSA-N 295.169 3.613 30 20 CHED CCC[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 1307562460 BLGDYZPFUIDJEV-KRWDZBQOSA-N 256.393 3.613 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)C1 186245864 BGEONLXZMFUVHQ-SJORKVTESA-N 288.460 3.973 30 20 CHED CCCN(C)c1ccccc1NC(=O)c1csc(C#N)c1 1329148656 MDMNOCCBTXXYNZ-UHFFFAOYSA-N 299.399 3.718 30 20 CHED CCCCCCCN1CCOC[C@H]1c1ccco1 740878793 YJKCRKMGYQYJFH-AWEZNQCLSA-N 251.370 3.623 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CC1CCCCC1 189924588 CLWDZBHXGAHTMO-UHFFFAOYSA-N 264.413 3.888 30 20 CHED O=c1ccccn1N=CC1CCC(c2ccccc2)CC1 1321332963 VUWRQHQEKPMMPI-UHFFFAOYSA-N 280.371 3.656 30 20 CHED C#CCN(C(=O)Nc1cccc(F)c1)C1CCCCC1 688795715 UVDYLSCNJNAAFX-UHFFFAOYSA-N 274.339 3.626 30 20 CHED Cc1ccc([C@H]2CCCC2=NNCC2CCOCC2)cc1 1252098326 XDGVUASRQIUGEE-QGZVFWFLSA-N 286.419 3.635 30 20 CHED CC(C)(CNc1cccc(CC#N)n1)c1cccc(F)c1 1255095827 NOGKPXMQXATBHE-UHFFFAOYSA-N 283.350 3.676 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(-c2cnn(C)c2)cc1 1256382307 QZLKFCJQRYYUIS-VMPITWQZSA-N 292.338 3.885 30 20 CHED C[C@H](CSC(C)(C)C)NCc1ccc(C#N)cc1 765016734 YXPKYRNYVKIETP-GFCCVEGCSA-N 262.422 3.568 30 20 CHED C=C[C@@H](CC)CC(=O)NCCc1ccc(Cl)s1 1333668118 KXQAJVNARZBWII-JTQLQIEISA-N 271.813 3.663 30 20 CHED C=CCC[C@H]1CCCN1c1snc(Cl)c1C#N 1336766478 BZQOMROKBUFKKR-VIFPVBQESA-N 267.785 3.603 30 20 CHED C=CCCCC(=O)N(c1cccc(C#N)c1)C1CCC1 1331468229 KPPHQEQJJHOGGH-UHFFFAOYSA-N 268.360 3.800 30 20 CHED CCc1ccc(CCN2CCCC(C)(C)[C@@H]2C#N)cc1 1194101631 OMJKFXSMGQUOSZ-KRWDZBQOSA-N 270.420 3.806 30 20 CHED C#CCCCNC(=O)C(C)(C)c1cccc2ccccc12 1344098921 LHSGXODERNLPKC-UHFFFAOYSA-N 279.383 3.647 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c(Cl)c1C 1343352069 UCWIOWTWJPKMPE-NWDGAFQWSA-N 277.751 3.806 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1Cc1cc(C#N)ccn1 1459646016 GPEQOTBEJPQHJG-LJQANCHMSA-N 291.398 3.709 30 20 CHED CC1(C)CCC(CNC(=O)c2ccsc2C#N)CC1 1521098844 TVSFRCVUWHTGEC-UHFFFAOYSA-N 276.405 3.566 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)[C@H]1CCCC[C@H]1C 1528044227 LHGQSPSGPWFOAG-PBHICJAKSA-N 284.403 3.908 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CC(C)C)c1cccs1 1525963203 ATZCQBFAISOOFC-RISCZKNCSA-N 265.378 3.928 30 20 CHED CS[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)c1ccccc1 1460861241 ACPVFOCPVNHBHC-MRXNPFEDSA-N 296.395 3.910 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1csc(C#N)c1 1534875243 KRQYPIJVJCTJKX-BXUZGUMPSA-N 276.405 3.661 30 20 CHED CC(C)(CCNC(=O)[C@H](CC#N)c1ccccc1)C1CC1 1460389191 RKESLZPKLGBMIK-MRXNPFEDSA-N 284.403 3.626 30 20 CHED C[C@H](CCC#N)CN[C@H](CCC(=O)O)CC1CCCCC1 1604130671 RCWRVGFOSCYRAU-GDBMZVCRSA-N 294.439 3.720 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CC1 1476097316 SQNBWRJBFZICHV-AAEUAGOBSA-N 289.354 3.788 30 20 CHED C[C@@H]1C[C@H](Nc2cc(C#N)ncn2)C[C@H](c2ccccc2)C1 1472804930 RCFUAZQFINPWCP-IMJJTQAJSA-N 292.386 3.733 30 20 CHED Cc1cc(CNc2cccc(C#N)c2C)ccc1F 1620954930 LXWRJFKBARRXQP-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CO[C@H](COc1ccc(C#N)c(Cl)c1)CC(C)C 1559401286 XTQQLOMSOMNAMH-ZDUSSCGKSA-N 267.756 3.652 30 20 CHED CCCCN(C)c1cc(C)c(C#N)c2nc3ccccc3n12 1559053680 CXSUSOVVZKSZIO-UHFFFAOYSA-N 292.386 3.904 30 20 CHED CC[C@@H](Nc1ccc(Cl)c(C#N)n1)C1CCCC1 1639909293 WKTUIODLYWPHAJ-GFCCVEGCSA-N 263.772 3.987 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)Nc2cc(C#N)ccc2F)C1 1562915355 IMWZHGUCKJYIFD-WCQYABFASA-N 289.354 3.645 30 20 CHED N#Cc1ccc(SCCc2cnoc2)c(Cl)c1 1643785579 UHAAYBNRGCLXLY-UHFFFAOYSA-N 264.737 3.534 30 20 CHED CC[C@H](NCc1cccc(C#N)c1F)[C@@H]1CC1(C)C 1646265694 MRNNHAYBDPVEPL-KBPBESRZSA-N 260.356 3.612 30 20 CHED Cc1ccc(C#N)c(Oc2cnc3c(F)cccc3c2)n1 1655700483 AUJLBLINXJREGP-UHFFFAOYSA-N 279.274 3.741 30 20 CHED CCC[C@@H](C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12)C(C)C 1583609259 WFGSUFXTZUQPMY-CYBMUJFWSA-N 298.390 3.754 30 20 CHED C=C(Cl)CN1CCC(c2nc3c(s2)CCC3)CC1 1660469613 SHHDLZXJGGFMEH-UHFFFAOYSA-N 282.840 3.564 30 20 CHED CCc1ccc(N[C@@H](C)c2cccc(C#N)c2)c(C(=O)O)c1 1597551111 BGTXIKLXPRVQIK-LBPRGKRZSA-N 294.354 3.992 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1sccc1C#N 1672812381 IJQBMICUQIFOPS-RYUDHWBXSA-N 291.420 3.956 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(CC(=O)O)cc2)c(C)c1 1776132975 LAHWCRSLPSMRDY-NTMALXAHSA-N 294.350 3.827 30 20 CHED CC1(C)C(=NNc2ccccc2C(=O)O)[C@H]2CCC[C@H]21 1776031103 MPJCVPVLWVCGEG-CMPLNLGQSA-N 272.348 3.609 30 20 CHED CC(CCC(F)F)=NNc1ccc(Cl)c(C(=O)O)c1 1776034116 OFQVFLXZWPPOAJ-UHFFFAOYSA-N 290.697 3.871 30 20 CHED CC(C)[C@@H]1/C(=C\c2cc(C(=O)O)co2)C(=O)c2ccccc21 1776308806 QMPDTECLMKCROX-AHQMPEJBSA-N 296.322 3.997 30 20 CHED C=CCOc1cccc(NC(=O)Cc2ccccc2C)c1 14562180 RJDDRZQXAJZCIX-UHFFFAOYSA-N 281.355 3.741 30 20 CHED C[C@H]1C[C@@H]1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 14905835 RERQZHVOVVYLGV-SJCJKPOMSA-N 277.323 3.787 30 20 CHED C=CCN(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc12 161549204 NEDCIMDHRVTEJO-UHFFFAOYSA-N 284.334 3.509 30 20 CHED CN(Cc1cccs1)Cc1ccc(C#N)cc1Cl 162866842 JMBXOPLGUJMXNS-UHFFFAOYSA-N 276.792 3.905 30 20 CHED CC(C)c1cnc(SCc2ccc(F)c(C#N)c2)n1C 158644564 KKZRKXMGITXNNI-UHFFFAOYSA-N 289.379 3.847 30 20 CHED N#Cc1cc(N2CCC[C@@H]2c2cccs2)ccc1[N+](=O)[O-] 165107618 IFEAVHBZKOARPW-CQSZACIVSA-N 299.355 3.869 30 20 CHED CC#CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 166223366 YXRMLOLKKHFTKS-UHFFFAOYSA-N 271.147 3.528 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3ccc(F)cc3)n2c1 151376011 PGOUVSFOEXNQKO-BQYQJAHWSA-N 280.302 3.678 30 20 CHED C=CCOc1ccc(CNCc2ccc(C)cc2OC)cc1 151010620 WUHOMVXWZBREIZ-UHFFFAOYSA-N 297.398 3.858 30 20 CHED C=CCCSCC(=O)Nc1cc(Cl)ccc1F 151973076 NWHDOGRYWJQHBY-UHFFFAOYSA-N 273.760 3.727 30 20 CHED CCCCCc1ccc(NC(=O)N[C@H](C)CC#N)cc1 153899045 XUGDFLUWQGYNSI-CYBMUJFWSA-N 273.380 3.843 30 20 CHED N#Cc1ccc(SCc2nnc(C3CC3)o2)c(Cl)c1 154173996 XOHQWLPSHVFCNH-UHFFFAOYSA-N 291.763 3.764 30 20 CHED C#CCCCCNC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 154999136 LRAXMXXUGUQZAA-SJORKVTESA-N 298.430 3.686 30 20 CHED N#CC1(CNCc2ccc(-c3ccccc3)cc2)CC1 258856518 GOQVQQMPGBPTRR-UHFFFAOYSA-N 262.356 3.747 30 20 CHED CC1(C)CCN(Cc2cc(C#N)ccn2)CC(C)(C)C1 1654193810 JIAOWRNQXIOETO-UHFFFAOYSA-N 271.408 3.601 30 20 CHED C#Cc1cccc(CNCc2csc(C(C)(C)C)n2)c1 825225810 AHOZHWVRMWZAEH-UHFFFAOYSA-N 284.428 3.712 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCc3sccc32)c1 61328212 CTWRWUMPRCIYBP-OAHLLOKOSA-N 268.385 3.787 30 20 CHED N#Cc1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1Cl 301822063 MMIYKWBGNWJHAI-YUELXQCFSA-N 288.778 3.581 30 20 CHED CSc1ccc(C(=O)Nc2cc(C)cc(C#N)c2)cc1 308136325 OODUDAFYKZMBOW-UHFFFAOYSA-N 282.368 3.841 30 20 CHED CC(C)O[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 404672412 CSSVKKXCSNMOPR-CQSZACIVSA-N 278.783 3.605 30 20 CHED CC(C)=CCC[C@@H](C)NCCc1cccc(C#N)c1 467428800 IXDJTAJWGVXEPP-OAHLLOKOSA-N 256.393 3.825 30 20 CHED Cc1c(Cl)cccc1C(=O)N1CCC(CCC#N)CC1 335385161 PZQAUNMYOJKPJJ-UHFFFAOYSA-N 290.794 3.804 30 20 CHED CCCCCCCCCCCC(=O)N1C[C@@H](O)[C@H](C)C1 387784733 JIIXOZYVQALFOK-HZPDHXFCSA-N 283.456 3.747 30 20 CHED CC(=NNCc1ccccc1)c1cc(C)sc1C 916343993 BOTPHTHCSBDNDI-UHFFFAOYSA-N 258.390 3.879 30 20 CHED C=C(C)CNC(=S)N(Cc1ccccc1)[C@@H](C)CC 916547916 MWLVQPKUBHFUSH-AWEZNQCLSA-N 276.449 3.738 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cc(F)ccc1O 398144517 BEKXTMMXJGMVAS-NEPJUHHUSA-N 251.345 3.927 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C 105311260 PPAGLAZXMAEQKM-ZBFHGGJFSA-N 272.392 3.573 30 20 CHED CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCc2ccccc21 51034411 YQNUVHFUOIAVJX-SFHVURJKSA-N 290.366 3.512 30 20 CHED CC(C)=CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 51655370 HOXCCRGFVWFBRP-SNVBAGLBSA-N 289.285 3.574 30 20 CHED C=CCC[C@H](NCCc1ccc(OC)c(OC)c1)C1CC1 119774740 NCJJHUVROKAYHV-INIZCTEOSA-N 289.419 3.581 30 20 CHED CCCCCCCC(=O)NC(C)(C)c1nccs1 116138554 TZSLERCFYJMCDL-UHFFFAOYSA-N 268.426 3.855 30 20 CHED CS[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCCC2 179065272 ZMRNZFZEQORQDG-VIFPVBQESA-N 294.445 3.579 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCC2(CCCCC2)C1 111162766 DIHLVYURYQMGDZ-OAHLLOKOSA-N 279.424 3.541 30 20 CHED C=CCN(C(=O)c1ccc(C)cc1F)c1ccccc1 175476555 FLOOOPRVEZBZHM-UHFFFAOYSA-N 269.319 3.967 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)NCc1cccc(C#N)c1)C1CC1 175264413 KNWUDQCYLFQHNS-ZIAGYGMSSA-N 299.418 3.667 30 20 CHED CCN(C[C@H](O)c1ccc(C)cc1)c1cccc(F)c1C#N 301495531 SRINRYGHIIRGHT-SFHVURJKSA-N 298.361 3.566 30 20 CHED COc1cccc(/C=N/Cc2cccc3cccnc23)c1O 68726336 KBMPMBCPFYMGOK-XDHOZWIPSA-N 292.338 3.568 30 20 CHED C=CCOCCCC(=O)N(Cc1ccc(C)s1)C(C)C 173810028 VLULBUCUTPUOMJ-UHFFFAOYSA-N 295.448 3.776 30 20 CHED C[C@H]1C[C@H]1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23446975 VUHBIOCONLOPIE-SCLBCKFNSA-N 291.350 3.924 30 20 CHED Cc1ccc(OC(F)F)c([C@@H](C)NCCCCC#N)c1 178642776 XRCULPHDCDXFQU-GFCCVEGCSA-N 282.334 3.941 30 20 CHED N#Cc1cc(NCc2ccccc2F)nc2ccccc12 68769855 QDVVNEYFIOBZSV-UHFFFAOYSA-N 277.302 3.858 30 20 CHED Cc1cccnc1[C@H](NCc1cccc(C#N)c1)C(C)C 112637835 GXYQPTHCBJRRDE-QGZVFWFLSA-N 279.387 3.749 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1ncc(-c2ccccc2)o1 301861487 UAKCDCKYQZUGDI-GFCCVEGCSA-N 290.326 3.781 30 20 CHED Cc1ccc(-c2nc(CNc3cccc(C#N)n3)co2)cc1 301438299 TWWYLMHUZJBPKY-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H](CC1CCCCC1)C(C)C 123500886 OMWYMWXFFQQUGL-LSDHHAIUSA-N 264.413 3.647 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](CC)c1ccc(F)cc1F 125898645 RVVQFPQWNVRATB-XHDPSFHLSA-N 297.345 3.513 30 20 CHED Cc1noc(C)c1CNc1cc(C#N)ccc1C(F)(F)F 127848525 KKKFARASDANICT-UHFFFAOYSA-N 295.264 3.794 30 20 CHED CCCCCCCCCC(=O)NCC1CCN(C)CC1 127483957 OJEQROKXBMEESW-UHFFFAOYSA-N 282.472 3.585 30 20 CHED COc1ccc(CNc2c(F)cc(C#N)cc2F)cc1F 301128409 VZXNFANZMXZUPT-UHFFFAOYSA-N 292.260 3.596 30 20 CHED N#Cc1ccc(Nc2cnn(-c3ccccc3Cl)c2)nc1 301210763 WOXBJCZGINHDMI-UHFFFAOYSA-N 295.733 3.536 30 20 CHED C=CCCCNc1ccc(CNC(=O)OC(C)C)cc1 77246168 XSHBACIZVGJHBY-UHFFFAOYSA-N 276.380 3.699 30 20 CHED C[C@H](NCCCSCC#N)c1c(F)cccc1Cl 181762528 RQHVFKVKBCXIIN-JTQLQIEISA-N 286.803 3.777 30 20 CHED C=CCC1(C(=O)N[C@H]2CS[C@H](C)C2)CCCCC1 412575904 DGYHUJJYNAXGDN-CHWSQXEVSA-N 267.438 3.523 30 20 CHED Cc1cc(C)c(C(=O)Nc2cccc(OCC#N)c2)c(C)c1 314306873 VSZZDQOCYUTFPS-UHFFFAOYSA-N 294.354 3.767 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H](SCC)C1 188486348 ZSTQHINGFUSNJW-VNHYZAJKSA-N 269.454 3.769 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 180463773 MTYLHYFQYFYVHO-GFCCVEGCSA-N 299.336 3.919 30 20 CHED CCCCCCCC(=O)NCc1ccc([C@H](C)O)cc1 171129784 JVQVGVFZGSIMHZ-AWEZNQCLSA-N 277.408 3.717 30 20 CHED C=CC[C@@H](C(=O)NCc1ccc(O)c(F)c1)c1ccccc1 186894751 QSTUKNMWBYTQGU-OAHLLOKOSA-N 299.345 3.507 30 20 CHED C=C(C)CN(C)C(=O)c1cccc(OCC=C(C)C)c1 180412089 KUNCBFZLMXKBTR-UHFFFAOYSA-N 273.376 3.680 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(N2CCCC2)cc1C 181519038 HJGWSRNINSNCPH-UHFFFAOYSA-N 287.407 3.635 30 20 CHED CC(C)c1ccccc1NC(=O)[C@H](C)SCCC#N 413015142 RSRVJGSVWYIQJQ-LBPRGKRZSA-N 276.405 3.784 30 20 CHED C=CCCCCCn1cncc(-c2ccccc2)c1=O 509655285 ZIEXBYJDKLRTIR-UHFFFAOYSA-N 268.360 3.657 30 20 CHED C=C(C)COCCNCc1c(OC)ccc2ccccc12 125784038 KHOJCVORUUTDKG-UHFFFAOYSA-N 285.387 3.531 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCCC1)c1nc2ccccc2o1 182746580 OMXYPCXGSJUIJI-LLVKDONJSA-N 284.315 3.516 30 20 CHED Cc1ccc(C[S@@](=O)Cc2ccc(C#N)cc2)cc1C 129601164 MAODVTNSRNMHKO-HXUWFJFHSA-N 283.396 3.624 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2CCc2ccccc2)o1 180151235 ZZBFTFQBWXBRJI-MRXNPFEDSA-N 280.371 3.748 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)Cc1cccc(Cl)c1 187905470 YOCABRACBGDKNE-MRXNPFEDSA-N 295.810 3.527 30 20 CHED C=CCC1(C(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)CCCCC1 415920168 OUXGOCSVEPXNNH-WMLDXEAASA-N 293.451 3.833 30 20 CHED CCCCC[C@@H](C)C/C(O)=N/S(=O)(=O)CC(C)C 76910382 RVQYFPQZYWFXCI-GFCCVEGCSA-N 277.430 3.535 30 20 CHED CCN(C(=O)CSc1ccc(C#N)cc1)c1ccccc1 79647958 DFBIYRWTHNBEGC-UHFFFAOYSA-N 296.395 3.703 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OCC)cc2F)CC1 412899548 RIHCVVNTCWXFIN-UHFFFAOYSA-N 277.339 3.909 30 20 CHED N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)c(F)c1 507673208 NNAFHCLCLQYBLJ-KRWDZBQOSA-N 294.373 3.762 30 20 CHED C=CCN(CC=C)Cc1cccc(-c2ccccn2)c1 505853997 YHUGDWIOSULKFR-UHFFFAOYSA-N 264.372 3.923 30 20 CHED CCc1cc(NCc2cc(C#N)ccc2OC)ccc1F 506293626 DFMCTWOACAWHAE-UHFFFAOYSA-N 284.334 3.880 30 20 CHED CCC[C@H](C)C(=O)Oc1c(Cl)cc(C#N)cc1OC 70746000 XJLPSLRYTHZGTE-VIFPVBQESA-N 281.739 3.562 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Cc1ccc(C)cc1 410126157 WAGGYWHDJBCJLU-GDBMZVCRSA-N 259.393 3.645 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)cc1NC1CC1 180369348 VXIPWTIPKVYWBI-UHFFFAOYSA-N 274.339 3.532 30 20 CHED Cc1ccccc1C(=O)N(CCC#N)c1ccc(F)cc1 78380128 VXJVLGUZAOGHBA-UHFFFAOYSA-N 282.318 3.695 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@]1(C)C(C)C 185713750 JQOWMJHCTHXRRV-IEBWSBKVSA-N 298.430 3.977 30 20 CHED N#CC1(CNCCCc2c(F)cccc2Cl)CCC1 418144903 VPRDRNGLTOKGJR-UHFFFAOYSA-N 280.774 3.695 30 20 CHED C[C@H](C1CCC1)N(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 410655904 IPCVCEBRHDAAOW-CQSZACIVSA-N 298.430 3.774 30 20 CHED CC(C)CCCNC(=O)Nc1ccccc1O[C@@H](C)C#N 184333401 QFGXKNCMDMCSKT-ZDUSSCGKSA-N 289.379 3.535 30 20 CHED C[C@H](N[C@@H](CO)CC1CCCCC1)c1ccc(C#N)cc1 417364062 LEQNUHDXZUPIFL-KBXCAEBGSA-N 286.419 3.540 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2cccs2)CCC1 188500566 QLFDWFVUYAHRDN-GFCCVEGCSA-N 263.406 3.542 30 20 CHED Cc1c(COc2ccccc2)cccc1N[C@H](C)C#N 83017332 AWHWTWDZSSWKTQ-CYBMUJFWSA-N 266.344 3.898 30 20 CHED C=CCSCCNC(=O)N[C@H](C)c1ccccc1Cl 194560780 HNQAMHCFWKFONZ-LLVKDONJSA-N 298.839 3.619 30 20 CHED CC1(C)CCC[C@H](CC(O)=Nc2ccc3nncn3c2)C1 329375918 OAWOFWPBLJOWDQ-GFCCVEGCSA-N 286.379 3.924 30 20 CHED N#C[C@H](C(=O)c1cc2c(s1)CCCCC2)c1ccccn1 41493527 LQUNWIRVKFNCAE-ZDUSSCGKSA-N 296.395 3.902 30 20 CHED CCc1ccc(-c2noc(CSCCCC#N)n2)cc1 190896914 XJLTWCSXAJSBSV-UHFFFAOYSA-N 287.388 3.836 30 20 CHED C=C1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)CC1 429448836 HDONQHYHUKFRFG-UHFFFAOYSA-N 299.399 3.994 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 194393562 GOILNTISXXORIN-GDBMZVCRSA-N 275.392 3.625 30 20 CHED C=CCN(Cc1csc(CC)n1)Cc1cccs1 42628154 RVIWOQWAMNAZLM-UHFFFAOYSA-N 278.446 3.955 30 20 CHED N#CCOc1ccc(NCc2cccc3cc[nH]c23)cc1 227021883 RRBSRDXXMHQSBV-UHFFFAOYSA-N 277.327 3.682 30 20 CHED C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(OCC#N)cc1 192955783 WWFDKLUPKHUWLX-CXAGYDPISA-N 296.370 3.910 30 20 CHED COc1cc(C)ccc1OCCCOc1ccc(C#N)cc1 41497454 QYQIDNBRXDZETL-UHFFFAOYSA-N 297.354 3.723 30 20 CHED C#CCCCC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 192091178 JPQZKTOOXVXDHA-LBPRGKRZSA-N 286.400 3.619 30 20 CHED CN(CCC#N)CCCc1cccc2ccccc12 83218612 IURVTWYKMPOTNP-UHFFFAOYSA-N 252.361 3.618 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C 511156817 BIBXTKKVKJVEFL-MCIONIFRSA-N 251.414 3.777 30 20 CHED C=CCC1(C(=O)Nc2ccc(COC)cc2)CCC1 195250992 UJQMYPSOVOKRLU-UHFFFAOYSA-N 259.349 3.518 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 512738853 GVQIQXBWJNQCRG-NXEZZACHSA-N 279.771 3.768 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1ccc(C(C)C)nc1 330479362 MEAVMNCGDDJYRB-MRXNPFEDSA-N 273.380 3.838 30 20 CHED C=CCCCCSc1nncn1-c1ccccc1 514840497 RTDKDYRUQLPCJO-UHFFFAOYSA-N 259.378 3.716 30 20 CHED CS[C@H](C)CCC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425123671 DSVLAWIJTCCOFA-CHWSQXEVSA-N 290.432 3.609 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(C)cc1C 514955148 YMZWGFSHGMGEBU-HNNXBMFYSA-N 289.444 3.985 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1cccc2c1CCC2 330484718 YNMHZFLYMUSHRG-QGZVFWFLSA-N 270.376 3.808 30 20 CHED C#CCCCC(=O)O[C@H](c1ccccc1)c1nccs1 190562869 HVNPLUCBXXBRNH-OAHLLOKOSA-N 285.368 3.579 30 20 CHED C=CCN1CC[C@H](Sc2cccc(Cl)c2)C1 429157520 VKMGFIDABYCMDG-ZDUSSCGKSA-N 253.798 3.692 30 20 CHED CCC1(CC)CCN(C(=O)Nc2ccc(C#N)cc2)C1 531040048 JWPZKMLZHCFZQN-UHFFFAOYSA-N 271.364 3.602 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc(C)cc(CN)c1 424430647 CXMJIUAMOOEPJR-UHFFFAOYSA-N 289.423 3.664 30 20 CHED C=CCC1(C(=O)NCC2CCC(F)(F)CC2)CCC1 337333357 YPOUUYPCMDZKQY-UHFFFAOYSA-N 271.351 3.675 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1C 337912908 ZMBHLQNIMCENIK-MLGOLLRUSA-N 270.376 3.517 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(OCCC)c1 435726499 QEMVGSCYDVAOTO-WMZOPIPTSA-N 289.419 3.546 30 20 CHED N#Cc1ccncc1N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 94164802 NYYCRBHNKRSIGQ-GXFFZTMASA-N 287.725 3.714 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NCC1(CC#N)CC1 619535330 NLXPOTYBKMVDFU-XJKSGUPXSA-N 254.377 3.593 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 248247554 RAIYJVSSOJIIQO-ZIAGYGMSSA-N 277.795 3.868 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@H](C)c2cccs2)no1 346600909 DYEOAUMYHDKWAU-MDZLAQPJSA-N 290.388 3.732 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)CC1(C)C 432291524 LCSFYHXZMRTJKR-NSHDSACASA-N 271.364 3.519 30 20 CHED C[C@H]1C[C@H](NCc2ccc(O[C@H](C)C#N)cc2)CC[C@H]1C 248586182 GFGMLHGCACOEQG-JYYAWHABSA-N 286.419 3.892 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c1 342380997 PHXJCDMOBCYZEC-GWCFXTLKSA-N 287.725 3.714 30 20 CHED C[C@@H]1CCC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 602526615 OWQOWAUCMPJWPY-OAGGEKHMSA-N 278.440 3.501 30 20 CHED C=C[C@H](CC(=O)Nc1scnc1C)c1ccccc1 340306127 NVYZAYGOHRQVEG-GFCCVEGCSA-N 272.373 3.750 30 20 CHED COC1CC(Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 600670625 VQJZVDOCNXAXNZ-UHFFFAOYSA-N 279.339 3.781 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 528578825 DODCQBQGTJRJHE-GOEBONIOSA-N 284.403 3.721 30 20 CHED Cc1ccoc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430617826 PGOCTAFYPJMSLT-SNVBAGLBSA-N 288.372 3.832 30 20 CHED CCc1c(C)sc(NC(=O)Cc2ccsc2)c1C#N 340719092 PDFRWUVAWQECEV-UHFFFAOYSA-N 290.413 3.733 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@@H](C)c1ccco1 528526447 YYRAQKUCABXUIF-CQSZACIVSA-N 299.370 3.654 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2ccc(F)c(C#N)c2)C1 346382468 VMZJIYVZFYIKMF-QGZVFWFLSA-N 288.366 3.740 30 20 CHED Cc1ccnc(N[C@@H]2CCCOc3cc(F)ccc32)c1C#N 343569040 IKKRHJMJQGXMQM-OAHLLOKOSA-N 297.333 3.727 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(F)c1 341758238 OUIULHFSPFULLG-SFHVURJKSA-N 280.346 3.865 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)c(F)c1 255340418 FYUXRYAENFJSDC-KXFIGUGUSA-N 298.313 3.665 30 20 CHED C=C(CC)CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F 521446856 PXOYFJHIWVMVJH-LBPRGKRZSA-N 288.269 3.754 30 20 CHED C[C@H](CCC#N)CN(C)Cc1cc2ccccc2o1 602477570 SWEUZFKUCPDPNP-CYBMUJFWSA-N 256.349 3.804 30 20 CHED C=C[C@H](CC(=O)Nc1cccnc1C)c1ccccc1 340176627 PIYVFBWMBTWMIK-CQSZACIVSA-N 266.344 3.688 30 20 CHED C(=NOCc1ncc(-c2ccccc2)o1)c1cccs1 255657821 FOJRWAIZNUILDQ-UHFFFAOYSA-N 284.340 3.954 30 20 CHED Cc1ccc(CN(c2ncc(C#N)cc2Cl)C2CC2)o1 609631821 NSYPDMVESDBVSA-UHFFFAOYSA-N 287.750 3.677 30 20 CHED CCC(C#N)(CC)C(=O)NCc1ccc(C(C)(C)C)cc1 527839147 QMYUAYQWDFAECN-UHFFFAOYSA-N 286.419 3.930 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCCCC#N)CCC2 343986133 DVZPNENHGSLVTR-KRWDZBQOSA-N 299.418 3.790 30 20 CHED Cc1cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccn1 527533597 IILJDUNBYFETIH-RBUKOAKNSA-N 291.398 3.662 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 609567670 JJNRPVSPZAABCP-MRXNPFEDSA-N 278.355 3.766 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](CC)COCC(F)(F)F 449379843 KHXPHFKYZBZMRA-TUAOUCFPSA-N 267.335 3.534 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc2c1OCO2 353425561 YNXGUEOCBSAABB-UHFFFAOYSA-N 288.391 3.567 30 20 CHED CC(C)C[C@H](NCc1cccc(C#N)n1)c1ccccc1 602503665 NSOKLZDHIANKIY-SFHVURJKSA-N 279.387 3.830 30 20 CHED CN(CC#Cc1cccc(Cl)c1)C1CCCCC1 448518434 CJYOSHWOHWHFBO-UHFFFAOYSA-N 261.796 3.956 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@H](C)CCC#N)CC3 602588058 KOFGPHJKPYILNX-HUUCEWRRSA-N 295.430 3.863 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)CC1 357147949 GHXDLAUQTMOONP-MNOVXSKESA-N 275.314 3.532 30 20 CHED C[C@@H](CNC[C@H](C)CCC#N)Sc1ccccc1 602560503 MREKQBBUERPBID-KGLIPLIRSA-N 262.422 3.697 30 20 CHED Cc1cccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1 355401603 PPQKDMXIBJEROF-UHFFFAOYSA-N 291.354 3.693 30 20 CHED CN(C(=O)Nc1ccc(C#N)cc1Cl)C1CCCC1 269171438 XOZVWHQAMCERBZ-UHFFFAOYSA-N 277.755 3.618 30 20 CHED CCN(CCCC(C)(C)C#N)[C@@H](C)C(F)(F)F 602990079 IXUSYGJTMOVCTD-JTQLQIEISA-N 250.308 3.589 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(c2)CCC3)CC1 353521103 XZTRRLJDHYFHAA-UHFFFAOYSA-N 255.361 3.860 30 20 CHED CCC[C@]1(C)CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 449998209 GXQQWSIVOJKYNH-SJLPKXTDSA-N 288.435 3.889 30 20 CHED C=C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 269021785 PLAPATQNBDUUQB-UHFFFAOYSA-N 287.256 3.637 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 448685246 VMQBFRWSJJBBCC-DLBZAZTESA-N 271.404 3.995 30 20 CHED CC1(CNc2c(C#N)cnc3c(F)cc(F)cc23)CC1 359019171 ZQMVAMCPRLGWLX-UHFFFAOYSA-N 273.286 3.597 30 20 CHED CCOc1ccc(OCC)c(N[C@H]2CC[C@@H](C#N)C2)c1 442871667 XDIITBYKBYCTQY-OLZOCXBDSA-N 274.364 3.588 30 20 CHED N#CCN(C(=O)c1ccc2c(c1)oc1ccccc12)C1CC1 350089655 XCSCXQFCJABUMJ-UHFFFAOYSA-N 290.322 3.714 30 20 CHED COc1cc(CNCc2cccc(C(C)C)c2)ccc1C#N 440621419 CVTYNKVMMARKCL-UHFFFAOYSA-N 294.398 3.980 30 20 CHED Cc1ccc(C)c(C(=O)NC2(c3cccc(C#N)c3)CC2)c1 269599633 HATLVGNMXWCIBE-UHFFFAOYSA-N 290.366 3.594 30 20 CHED C[C@@H](NC(=O)N(C)Cc1ccsc1)c1cccc(C#N)c1 610357900 VZUPOMASGHUSTI-GFCCVEGCSA-N 299.399 3.522 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CC23CCOCC3)c1 450791809 JBVRAYDWYUZSCU-CYBMUJFWSA-N 296.292 3.558 30 20 CHED C=C(CC)CNC(=O)N1CC=C(c2ccc(F)cc2)CC1 455527217 VBTVAGWHSHPFHM-UHFFFAOYSA-N 288.366 3.591 30 20 CHED Cc1cc(Cl)ccc1NC(=O)NCC(C)(C)CC#N 459233893 NELOKLKDLQUKQO-UHFFFAOYSA-N 279.771 3.710 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)c1cc3occc3s1)CC2 611139891 FPZXGRDXJDOQDL-UHFFFAOYSA-N 294.335 3.569 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1cccc(CC#N)c1 455904909 KPGUEBZFPLSENV-GFCCVEGCSA-N 273.380 3.699 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](Nc1nccc(C#N)n1)CC2 450448581 BHRFNCHRSRUVII-INIZCTEOSA-N 278.359 3.571 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(F)c2F)cnn1C(C)C 276366353 NDGRDXYNTFTIAV-BQYQJAHWSA-N 290.313 3.947 30 20 CHED CC1(C)CC(CN[C@H]2CCCc3cc(C#N)ccc32)C1 615093580 HESOLYOTLNSKQI-KRWDZBQOSA-N 268.404 3.961 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)Nc1cccc(CC#N)c1 456763739 ZTSZNTYEUVHMQL-CQSZACIVSA-N 288.391 3.532 30 20 CHED C=CCC1(CN[C@@H](CC)c2ccn(C)n2)CCCC1 453350081 FZRIKLXOOLTEFQ-AWEZNQCLSA-N 261.413 3.597 30 20 CHED N#C[C@@H](NC(=O)C12CCC(CC1)C2)c1ccccc1Cl 541273458 VOYFFYAJDRLZFI-OFWKBQFLSA-N 288.778 3.601 30 20 CHED CCOc1c(Cl)cccc1CN1CCC[C@](C)(C#N)C1 618819948 UXWWKIUGUFSDJG-MRXNPFEDSA-N 292.810 3.864 30 20 CHED CC(C)(C)C[C@H](Nc1nccc(C#N)n1)c1ccccc1 450349114 NBNBUADVLURXTB-HNNXBMFYSA-N 280.375 3.938 30 20 CHED Cc1nn(C)cc1/C=C1\C(=O)c2ccccc2[C@@H]1C(C)C 277596069 MCNRZATZXGBFGR-STKCSNAVSA-N 280.371 3.748 30 20 CHED CCc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1 544070568 AIJFQGNPBGKWGA-UHFFFAOYSA-N 278.399 3.947 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C(=O)C(C)C)cc1 455800224 RSFXFXMIUCDIRX-UHFFFAOYSA-N 274.364 3.613 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C1CCC1 457517506 OBSIACYBUFBLSP-OAHLLOKOSA-N 298.430 3.979 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](CC)C(F)F)c1ccccc1 452267230 UQKRUCMRBWVXRB-ZIAGYGMSSA-N 281.346 3.896 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 455315678 UQQVLRVSNBKBIH-QGZVFWFLSA-N 286.419 3.678 30 20 CHED N#CCCCN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 276458581 ODOWJVVZXYDCIZ-QGZVFWFLSA-N 294.402 3.907 30 20 CHED C#CCCCCc1nc(-c2cc(F)ccc2C)no1 273917759 YIDQMSYHPDWQJI-UHFFFAOYSA-N 258.296 3.530 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ncc(Cl)c(C)c1C#N)CO2 541348386 CTDDDZDLKIOOHV-AWEZNQCLSA-N 299.761 3.769 30 20 CHED N#Cc1ccc(OCCCc2ccsc2)cc1F 543946110 CPKSRVSOOSQPGZ-UHFFFAOYSA-N 261.321 3.770 30 20 CHED CC(C)(C)[C@@H](NC(=O)NCCCC#N)c1cccc(F)c1 273191045 HJMBURGMWQKGPY-AWEZNQCLSA-N 291.370 3.516 30 20 CHED C=CCN(C(=O)[C@H]1CSc2ccccc21)C(C)(C)C 622944442 SCXAPHBYQFBLIW-ZDUSSCGKSA-N 275.417 3.689 30 20 CHED C=CCCC[C@@H](C)NCc1cc(C)c(Br)cn1 623484918 HCLRCUBBDBHSJC-GFCCVEGCSA-N 297.240 3.987 30 20 CHED CC#CCCN1CC=C(c2ccccc2OCC)CC1 462308806 AFQOTUYUGUAAKD-UHFFFAOYSA-N 269.388 3.588 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CC(C)(C)OC2(C)C)c1C#N 544147630 UNHIZBKIKLNPRL-GFCCVEGCSA-N 293.798 3.673 30 20 CHED CCC(CC)(CC)[S@](=O)Cc1ccccc1C#N 283568984 ZSQDNSJQNSMKEF-GOSISDBHSA-N 263.406 3.776 30 20 CHED CCCC[C@H](C(=O)NCC#Cc1ccccc1)C(C)C 621376100 QOCBZSRDSAQEGD-KRWDZBQOSA-N 271.404 3.617 30 20 CHED C#CCCCc1nc(C2(OCCC)CCCCC2)no1 289233898 WTCIWPAUUPUAKY-UHFFFAOYSA-N 276.380 3.612 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 281581359 BNUQEPIYEBCEKS-IUODEOHRSA-N 291.366 3.506 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC(OCC2CC2)CC1 374133991 SDMQKDKTGIPDPH-UHFFFAOYSA-N 290.794 3.607 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H](C)[C@@H]1CC 460805455 ROVSPJIHXGSMGY-ZFWWWQNUSA-N 288.439 3.747 30 20 CHED C=C[C@@H](C)NC(=O)NCC(C)(C)c1ccc(F)cc1Cl 464751791 BTFQKYNWJGDIBY-SNVBAGLBSA-N 298.789 3.630 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)c1nc(C(F)(F)F)cs1 287648580 IAAVYDNHSSZSAC-ZETCQYMHSA-N 298.293 3.602 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)c1ccccc1 464517551 DORRKQICVARFRV-HZPDHXFCSA-N 257.377 3.747 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 464756740 QZTJKSAJJWZFGC-CXAGYDPISA-N 298.361 3.789 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 371648396 ZBNCVBQESOWJOS-KAUXGEHWSA-N 296.414 3.677 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(NCCCC#N)c2c1 282850858 NTSLFGVNGSWSAL-UHFFFAOYSA-N 284.750 3.784 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(CC)cc1 468001640 CVURNICBNNKGIM-QGZVFWFLSA-N 259.393 3.510 30 20 CHED CCCCN(CCCC)C(=O)c1cc(C#N)oc1C 280586234 NGVAQWYBXAZJRN-UHFFFAOYSA-N 262.353 3.502 30 20 CHED C=C(C)CCc1noc(C(=O)c2ccc(Cl)s2)n1 557517787 QNPQCXRHQWPKRB-UHFFFAOYSA-N 282.752 3.524 30 20 CHED CC#CC(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 283432884 VNQLFGKCMJVPDX-CYBMUJFWSA-N 269.344 3.756 30 20 CHED C=CCC(CC=C)C(=O)N(CCCC)c1cccnc1 637518835 JXLKUQFJSACSIY-UHFFFAOYSA-N 272.392 3.983 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC/C(C)=C/c1ccccc1 280553072 FBNCFPACZJRZIN-WSAUZFIISA-N 271.404 3.661 30 20 CHED Cc1nc(C(F)(F)F)ccc1OCCC(C)(C)C#N 285296849 VSXFICPCBDBHRF-UHFFFAOYSA-N 272.270 3.728 30 20 CHED CC[C@@H](C#N)NC(=O)c1cccc(Oc2ccccc2)c1 475695568 POJHNLWVCYOOGI-AWEZNQCLSA-N 280.327 3.511 30 20 CHED N#C[C@H]1CC[C@H](Sc2cc3c(cc2Cl)OCCO3)C1 295861145 BYJZVRLCSQNSNN-UWVGGRQHSA-N 295.791 3.896 30 20 CHED C=CC(C)(C)c1nc(-c2ccccc2OC(F)F)no1 295814416 CYMPTXGLOQBNGJ-UHFFFAOYSA-N 280.274 3.802 30 20 CHED COCCON=C(C)CCc1ccc(C(F)(F)F)cc1 800814224 REINBMHHYMYIKP-UHFFFAOYSA-N 289.297 3.677 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)c2ccc(F)cc2)CCC1 479666616 XDZWOHVRZJKHPF-CYBMUJFWSA-N 275.367 3.792 30 20 CHED C=CCCCCNC(=O)c1cccc(OC(F)(F)F)c1 471709435 PGCIPNLVLYXHAW-UHFFFAOYSA-N 287.281 3.671 30 20 CHED C=CCC(C)(C)C(=O)N(CC)Cc1ccc(OC)cc1 292963446 KMOFGWKDBQUYOJ-UHFFFAOYSA-N 275.392 3.646 30 20 CHED C=CCCCCCCNC(=O)c1cc(F)c(O)c(F)c1 805217822 LCHVWTIFAZGQGT-UHFFFAOYSA-N 283.318 3.537 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cccc2c1NCC2 801400094 UETRNINECSTZAJ-UHFFFAOYSA-N 286.375 3.531 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccccc1OC(F)F 299696316 OKRPTLPPHHLCRM-GHMZBOCLSA-N 268.307 3.631 30 20 CHED CCC(=NN[C@@H]1CCSC1)c1c(F)cccc1Cl 807999652 SOSVTPURJZGDAQ-SECBINFHSA-N 286.803 3.688 30 20 CHED Cc1ccccc1CCCOC(=O)CCCCCC#N 805698207 WYIXEOFMQUTHRL-UHFFFAOYSA-N 273.376 3.945 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@H]3C[C@H]32)c1 800974297 JJIOCNXPPMGWNR-BURFUSLBSA-N 284.403 3.646 30 20 CHED C=C(Cl)COC(=O)COc1ccccc1C(C)(C)C 804450883 QNMBVEADBKEDKM-UHFFFAOYSA-N 282.767 3.659 30 20 CHED C=CCC[C@H](CC)NC[C@@H](O)c1cc(C)cc(C)c1 800992230 QBZYFRXAPMGPMU-DLBZAZTESA-N 261.409 3.671 30 20 CHED N#CCCCC(=O)N[C@@H](c1ccccc1)C1CCCC1 291638258 HAVZAPFDWPEUON-KRWDZBQOSA-N 270.376 3.728 30 20 CHED C=C(C)CN(Cc1ccccn1)Cc1ccccc1C 649621318 VLHDMPWVPYPZED-UHFFFAOYSA-N 266.388 3.968 30 20 CHED C=CCCCCNCc1ccc(OC[C@@H]2CCCO2)cc1 472060441 UKXLQCCSKPRNMJ-SFHVURJKSA-N 289.419 3.690 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(F)cccc1SC 293854181 VFXRSPUMQPROFP-UHFFFAOYSA-N 281.396 3.880 30 20 CHED C=CCC[C@@H](O)CN1CCCCC[C@H]1c1ccccc1 472747765 IPSGVPDHVZDNCK-MSOLQXFVSA-N 273.420 3.931 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C1CC(F)(F)C1 470648084 HBMAITSTZFOCIJ-UHFFFAOYSA-N 279.330 3.637 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)CC1 477447265 UNQVGJWNZHGPTB-CVEARBPZSA-N 278.440 3.809 30 20 CHED CC[C@@H]1CCC1=NNc1ncccc1C(F)(F)F 807963282 PARACMNYHYCRMT-MRVPVSSYSA-N 257.259 3.688 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCO[C@@H](CCC)C1 805220582 XBUOPQDLAUDQRZ-CVEARBPZSA-N 281.440 3.834 30 20 CHED CCCC(=NN[C@H]1CCSC1)C1CCCCC1 807999529 PHDHBLRMSZFVAJ-ZDUSSCGKSA-N 254.443 3.818 30 20 CHED C=CCCCCCCNCC1CCC2(CC1)OCCO2 809722390 VZVWBOZIQPHXJC-UHFFFAOYSA-N 281.440 3.646 30 20 CHED C[C@@H]1[C@@H](NCc2ccc(C#N)s2)C[C@@H]1c1ccccc1 561566038 NFQLECQAIIFDNS-ZLIFDBKOSA-N 282.412 3.902 30 20 CHED C(=NN[C@H]1CCSC1)c1cc(-c2ccccc2)cs1 808000620 RQDFXIBBQCQFKI-AWEZNQCLSA-N 288.441 3.844 30 20 CHED COc1cc(/C=C2\Cc3nc(Cl)ccc3C2=O)ccc1C 806577245 AQFOLMTVWZLWCF-KPKJPENVSA-N 299.757 3.874 30 20 CHED N#CCc1ccc(CN2CCCc3ccccc3C2)cc1 399139253 UBQWBJRTRHJSKF-UHFFFAOYSA-N 276.383 3.701 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N1CCc2ccc(C#N)cc21 563508361 CBVIFFFPTMNTHM-ZDUSSCGKSA-N 282.387 3.664 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(C)cc1OCC 811880022 GBRSINNXAXBGNO-UHFFFAOYSA-N 293.366 3.556 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CCCC2CC2)cc1 813428418 WQBNWXKLTJTEQH-UHFFFAOYSA-N 270.376 3.822 30 20 CHED C=CCC[C@H](C(=O)N1CCC(C)(C)C1)c1ccccc1 489959697 YSDUPXXIKHOJGZ-INIZCTEOSA-N 271.404 3.995 30 20 CHED Cc1cc(OCc2ccc(C#N)cc2)c2ccccc2n1 486199885 YBWIRZOMFGNSKN-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C[C@@H](C(=O)OCc1ccc(C#N)cc1Cl)C(C)(F)F 815493673 MRNWNNNFPHYVTE-QMMMGPOBSA-N 287.693 3.546 30 20 CHED C[C@@H]1C(=NNc2c(F)cccc2Cl)CC[C@@H]1CC(=O)O 814905565 ZDWNYDUMAQLPQP-DTWKUNHWSA-N 298.745 3.768 30 20 CHED N#CCCCC(=O)OCc1cccc2ccccc12 812618321 PMXBCVRBBQAKKA-UHFFFAOYSA-N 253.301 3.577 30 20 CHED C#CCOCSc1nccn1-c1cccc(Cl)c1C 814731120 XFDLFOSHHWIOIF-UHFFFAOYSA-N 292.791 3.534 30 20 CHED N#CCc1ccc(CN(CC2CCC2)CC2CC2)cc1 483279282 QOFDKFWMOTZSFR-UHFFFAOYSA-N 268.404 3.765 30 20 CHED C=CC1CCN(Cc2ccnc(Cl)c2Cl)CC1 811463018 HKAMNMAPPRZAPW-UHFFFAOYSA-N 271.191 3.786 30 20 CHED CC#CCCN[C@H](C)Cc1ccccc1C(F)(F)F 482253998 SJXIEYQQTRKVAU-GFCCVEGCSA-N 269.310 3.639 30 20 CHED C=C(C)CNC(=O)NCC1(c2ccc(F)cc2)CCCC1 488556652 JTLJYTUEUFKXOS-UHFFFAOYSA-N 290.382 3.513 30 20 CHED COc1ccc(C(=O)/C=C/c2sccc2C)cc1O 811698617 SRDNLORIQAIKFM-GQCTYLIASA-N 274.341 3.667 30 20 CHED C=C[C@@H](C)NC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 489051737 YJUCVNUPTOCEIW-CYBMUJFWSA-N 297.402 3.609 30 20 CHED COc1ccc2nc(NN=CCC(F)(F)F)c(C)cc2c1 817325852 IFMIXEMUBYBAQA-UHFFFAOYSA-N 297.280 3.902 30 20 CHED COc1ccc(CCC=NOC/C=C\Cl)c(C)c1 811668253 CVVAYKWPPWRQPK-AHPAUNRUSA-N 267.756 3.691 30 20 CHED Cc1cc(NN=C2CC(C)(c3ccccc3)C2)nc(C)n1 729637768 UCBDUUKJAXYVDP-UHFFFAOYSA-N 280.375 3.613 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(C#N)s1)C1CC1 487281201 SUXYEUVFBTUDOW-GHMZBOCLSA-N 276.405 3.659 30 20 CHED C=C[C@H]1CCCCN1Cc1ncc(Cl)cc1Cl 489420976 AXRFPWYZOGBBBQ-NSHDSACASA-N 271.191 3.929 30 20 CHED CCC(=NNCCOC(C)C)C12CC3CC(CC(C3)C1)C2 811646988 SUNNHNFJRQWHGF-UHFFFAOYSA-N 292.467 3.983 30 20 CHED CO[C@H](C)CC/N=C/c1cc(Cl)cc(Cl)c1O 726429155 JYLDJQWCAZPCRT-BQNBSLLUSA-N 276.163 3.543 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(F)c1SC 667419381 VEQZEZIFJFVWQJ-UHFFFAOYSA-N 268.357 3.635 30 20 CHED CCOc1cc(C=NNC2CCCC2)cc(Cl)c1OC 727652691 UZMNLJTUEWZPDY-UHFFFAOYSA-N 296.798 3.613 30 20 CHED C[C@]1(CNc2nc(Cl)c(C#N)s2)CC1(Cl)Cl 828798853 WJORTWGJEVNPDJ-MRVPVSSYSA-N 296.610 3.664 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 826946925 LXOZEVZYDVEQFI-HOTGVXAUSA-N 284.403 3.766 30 20 CHED CCn1cncc1/C=C1/C(=O)c2cccc(C)c2[C@@H]1C 901489035 LXEQIGIVMTZTAH-AZZDOICSSA-N 266.344 3.595 30 20 CHED C[C@H]1CN(C)c2ccccc2N(C[C@H](C)CCC#N)C1 589821092 TXAPOBLCQREXJM-CABCVRRESA-N 271.408 3.519 30 20 CHED CC(C)(C#N)CCCNc1ccc(C(C)(C)C(=O)O)cc1 826071815 OOAMYDCMRWRHNH-UHFFFAOYSA-N 288.391 3.791 30 20 CHED Cc1ccc([C@@H](NCC2(C#N)CCC2)C2CCC2)o1 903031058 AXZVDSRTZYMLAB-HNNXBMFYSA-N 258.365 3.713 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(C(=O)O)c(C(C)C)s1 907769125 RVVZAMQXMVCWLL-VIFPVBQESA-N 296.392 3.506 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@H](c1ccccn1)C(F)(F)F 904016504 IIDUJVAMOSHBAS-GXFFZTMASA-N 287.281 3.831 30 20 CHED CCn1c(C)cc(C=NNc2c(F)cccc2F)c1C 735615623 PVJIGBBWSUMBJN-UHFFFAOYSA-N 277.318 3.849 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 583679921 HKRAHSYZKSAYPC-BBWFWOEESA-N 296.414 3.747 30 20 CHED CC/C=C\CCON=C(C)c1ccc(NC(C)=O)cc1 588483012 IWEBLJZDZWFSCL-GOQRIPDPSA-N 274.364 3.742 30 20 CHED C=CCCNC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 661116070 HOROBTPYUIJKNI-DLBZAZTESA-N 280.371 3.571 30 20 CHED C#Cc1ccc([C@H](OC(=O)/C(C)=C/C)C(F)(F)F)cc1 836081912 ZOCHJYQDVPLZEP-CFDVYZKQSA-N 282.261 3.781 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1cnc(C)o1 837774903 FAYATZABMCRWAL-ZDUSSCGKSA-N 295.427 3.779 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1sc2cc(F)ccc2c1C 584804571 VDAONSBAQUSRLC-HNNXBMFYSA-N 290.363 3.771 30 20 CHED CCN(Cc1ccccc1C)c1ccc(C#N)c([N+](=O)[O-])c1 589585753 DGMZYPQWYWAKJX-UHFFFAOYSA-N 295.342 3.801 30 20 CHED CCCCCCCCNC(=O)N(C)CC(C)(C)C#N 838527152 MUGMXHVJFKYVAN-UHFFFAOYSA-N 267.417 3.538 30 20 CHED C=C[C@](C)(CC)C(=O)OC[C@]1(C)CC1(Cl)Cl 837658945 RCXVRULJBNXBCP-MNOVXSKESA-N 265.180 3.716 30 20 CHED Oc1cccc(/C=N/CC2(Sc3ccccc3)CC2)c1O 731563425 PYAMZILGXAVZCK-WOJGMQOQSA-N 299.395 3.842 30 20 CHED CSC1(C/N=C\c2c(O)ccc3ccccc23)CC1 588610489 RVOCNVSJQCRVCE-YVLHZVERSA-N 271.385 3.860 30 20 CHED CC(=NNc1c(F)cccc1F)c1cc(F)ccc1O 735615326 MYUYRDQFPHJWRC-UHFFFAOYSA-N 280.249 3.646 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccsc1 739154741 DHISFNKTGLSHNY-ZYHUDNBSSA-N 296.351 3.869 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)[C@@H]1CCCC[C@H]1C 834998066 BRFXYXIMCSRHLT-FBIMIBRVSA-N 250.308 3.729 30 20 CHED C[C@@H](CCC1CCCCC1)/N=C\c1ccc(O)c(O)c1O 734303399 NEDBFAFUOIUTKH-SJWFJVLYSA-N 291.391 3.971 30 20 CHED CCC/C=C\C(=O)N(CCC#N)c1ccc(OCC)cc1 731192602 HLYKMMBMJKJKGG-VURMDHGXSA-N 286.375 3.688 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1c1ccc(F)c(F)c1 732928077 BSVWNKLVLQXQIU-AWEZNQCLSA-N 296.386 3.552 30 20 CHED C=CCCCOC(=O)C[C@H]1CCc2ccccc2C1 735535720 KXXYLTQBTGKAKP-AWEZNQCLSA-N 258.361 3.691 30 20 CHED CN(CCC#N)c1ccc(CN[C@H](C2CCC2)C2CC2)cc1 835069431 GVBQCNDWUKSIHV-LJQANCHMSA-N 297.446 3.705 30 20 CHED Cc1cccc([C@@H]2CCCCN2C(=O)C#CC2CC2)c1C 837444507 VRMHTPBBPSJYKM-SFHVURJKSA-N 281.399 3.770 30 20 CHED Cc1cc(-c2cccc(C#N)c2)ccc1O[C@H]1CCOC1 592983174 DREXZGSQFJQREY-KRWDZBQOSA-N 279.339 3.701 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(Br)c(F)c1 837437427 KWUFHKJKSSUZOA-UHFFFAOYSA-N 298.155 3.576 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(-c2ccccc2C)cs1 593458560 SRXVVKUNDMMZMO-NSHDSACASA-N 285.372 3.607 30 20 CHED CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(C#N)nc1 593272959 GUXNNFFZSMDKEZ-RRFJBIMHSA-N 297.402 3.523 30 20 CHED CCCN(CCc1cccs1)C(=O)C#CC(C)(C)C 837533409 BXYBDVMIQZZYJE-UHFFFAOYSA-N 277.433 3.579 30 20 CHED CCN(Cc1c(Cl)oc2ccccc12)[C@@H](C)C#N 598628000 JWLUNSNMDKTYAI-JTQLQIEISA-N 262.740 3.820 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1ccc(C)c(C)c1 916288081 LVOKDXQRFWYKNC-UHFFFAOYSA-N 274.755 3.583 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 593698220 IPSFTLCQTWLYCK-QAPCUYQASA-N 284.403 3.507 30 20 CHED Cc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)c(C#N)c1 592989092 QYLRZBMACDZPKG-SFHVURJKSA-N 293.366 3.839 30 20 CHED CO[C@H](C)CC(=O)Nc1cccc(C#Cc2cccs2)c1 749479240 CBDGHGAPIATXDP-CYBMUJFWSA-N 299.395 3.511 30 20 CHED COc1cccc(O)c1C=Nc1ccc(Cl)c(F)c1 915982775 BUJLPUXAZJHZRN-UHFFFAOYSA-N 279.698 3.944 30 20 CHED CCCCCCCC(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1 840508312 QHJQBRAQKLAAAF-DLBZAZTESA-N 289.419 3.681 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C(F)F)cc1F)C(C)(C)C 847076690 GQVNNWFRFBTPDU-GFCCVEGCSA-N 283.293 3.541 30 20 CHED COCC(=NNc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 741463691 IJNRGSGFGAEZRL-UHFFFAOYSA-N 299.296 3.647 30 20 CHED CO[C@@H](C)c1nc(CSCC2(CC#N)CC2)cs1 596347156 KBXKDMMAROETCR-JTQLQIEISA-N 282.434 3.778 30 20 CHED Cc1n[nH]c(C)c1C=NNc1ccc(Cl)cc1Cl 915953705 SVLSYVJTQBLNRU-UHFFFAOYSA-N 283.162 3.779 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H]2CCCCC2(F)F)c1 840707156 OAKIXZCALCDSIZ-FQKVVYMKSA-N 298.289 3.545 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)cc1C 915988617 XOTTUHZTYLCQDP-WAYWQWQTSA-N 286.352 3.959 30 20 CHED CCOc1ccc(C=NNc2ccc(C)cc2)cc1OC 916250651 RSSXCLPPJUDMQS-UHFFFAOYSA-N 284.359 3.848 30 20 CHED CC(C)c1ccccc1C=NOCc1cccnc1 848406204 AKBJWKJEQIJATQ-UHFFFAOYSA-N 254.333 3.756 30 20 CHED CCOc1ccccc1OCCON=Cc1ccccc1C 742351918 HJKCYQGKEZSIBP-UHFFFAOYSA-N 299.370 3.823 30 20 CHED CC(=NNc1ccccn1)c1ccc(F)cc1OC(F)F 748076233 NXDWHWHINSHZCD-UHFFFAOYSA-N 295.264 3.658 30 20 CHED N#CCCN(CC1CC1)C(=O)c1ccc(C(F)F)cc1F 594279389 BJFWJDITRLEOEU-UHFFFAOYSA-N 296.292 3.529 30 20 CHED C=CCCSCCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 597974056 YKQNFFKRZULCEK-WBVHZDCISA-N 289.444 3.606 30 20 CHED CCC(=NNc1nc(-c2ccccc2)no1)[C@@H]1C[C@H]1C 841625298 SDPPLLQIJJINRG-ZYHUDNBSSA-N 270.336 3.571 30 20 CHED CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 912077855 LQOZQVCBRZJLDR-XJKSGUPXSA-N 285.391 3.593 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)NCC1(C#N)CCC1 841467456 SRWPVXKGPWXGCX-XYOKQWHBSA-N 288.778 3.553 30 20 CHED CC(C)(CCC#N)CNCCC[C@@H]1CC1(Cl)Cl 846105544 TXDXGGQVZJBZFU-LLVKDONJSA-N 277.239 3.880 30 20 CHED C#CCOc1ccccc1CNCc1cc(C)sc1C 742373835 GPWGAUPKJMJGEF-UHFFFAOYSA-N 285.412 3.667 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cc(C)sc1C 915970997 XLAFDHAPZMCLFH-UHFFFAOYSA-N 274.393 3.608 30 20 CHED N#CCCC1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 592819572 STHIUSHIOIDCGO-DLBZAZTESA-N 288.435 3.745 30 20 CHED Cc1cccc2ncc(/C=C3/Cc4ccc(F)cc4C3=O)n12 749005232 XULAJIAHHNXBDU-JYRVWZFOSA-N 292.313 3.604 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CCCN(C(=O)CC)C1 919454579 YEHQWGQUECLGCF-OAHLLOKOSA-N 297.439 3.539 30 20 CHED C=CCN(Cc1ccc(-n2nc(C)cc2C)cc1)C(C)C 917167998 LILGLIYRWIJXAD-UHFFFAOYSA-N 283.419 3.886 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 682437580 DGSFFFODUYJLIY-GMXVVIOVSA-N 277.330 3.778 30 20 CHED CC[C@H](NCc1ccc(C#N)c(Cl)c1)C1CCC1 590653540 GGAKWZDVOFYYLB-HNNXBMFYSA-N 262.784 3.880 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H](C1CCCCC1)C1CCC1 592080120 OALYFHYVNNSANL-CZUORRHYSA-N 291.439 3.536 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cccc3c2OCO3)c1 743539187 WGRZBJAFAAGIHH-KTKRTIGZSA-N 296.322 3.710 30 20 CHED COc1ccc([C@H]2CCCN2CCCCC#N)cc1F 595750372 AWLNEJRKQJMFNL-OAHLLOKOSA-N 276.355 3.665 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Oc2cccc(OCC#N)c2)C1 841344012 MFYVBDNTGXRDIB-WDNDVIMCSA-N 287.359 3.567 30 20 CHED C=C(C)CONC(=O)Nc1ccc2oc(C(C)C)nc2c1 844540758 IIEKBSIPPKXSQD-UHFFFAOYSA-N 289.335 3.580 30 20 CHED CC/C(=C\C(=O)N[C@@](C)(C#N)CC)c1cccc(Cl)c1 744489325 JBQSOAAJAKDWLZ-YBHKSSGVSA-N 290.794 3.942 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cnc(C2CC2)nc1 841628275 SAUPJFSSRQKNEG-CYBMUJFWSA-N 274.412 3.636 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1c(C3CC3)cnn1C)C2=O 849248329 PTNJTOGPKDJYHX-LZYBPNLTSA-N 296.395 3.935 30 20 CHED CCc1nc(CCNc2ccc(C#N)cc2C)cs1 846747919 ZDZQMIKKBGQUJZ-UHFFFAOYSA-N 271.389 3.540 30 20 CHED C=CCC1(NC(=O)Nc2cc(N)ccc2C)CCCCC1 841316322 NJTGNGBBTDUIAP-UHFFFAOYSA-N 287.407 3.978 30 20 CHED COCCN(C)N=C1CCC[C@H](c2cccc(Cl)c2)C1 841637121 QMVCXAPZVYXSCW-AWEZNQCLSA-N 294.826 3.932 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2O)cc1C 757476610 XHJQIAHYTOOEME-CLFYSBASSA-N 268.312 3.605 30 20 CHED CCC(=O)N(C)c1ccc(N[C@H](C)CC(C)(C)C#N)cc1 926853510 WSXXTEWTZFDHDT-CYBMUJFWSA-N 287.407 3.800 30 20 CHED C#C[C@H](CC)NC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 754374811 RAVLPAFUVAHZGJ-PNYFIKQUSA-N 295.426 3.564 30 20 CHED CCCCCCCC[S@](=O)Cc1cccnc1OC 857218624 UFMJRAGLMNLIPT-IBGZPJMESA-N 283.437 3.699 30 20 CHED COc1ccc([C@@H](C)C(C)=NO[C@H]2CCCCO2)cc1 755820535 WNWIRLLGLAIOAS-LRDDRELGSA-N 277.364 3.718 30 20 CHED C=C(C)CCOC(=O)c1ccc(C(F)(F)F)cc1C#N 757902788 JQCNFUSAKRTODF-UHFFFAOYSA-N 283.249 3.700 30 20 CHED CC(C)(C#N)COC(=O)C1(C(F)(F)F)CCCCC1 850935689 LXYKPNONHACNKL-UHFFFAOYSA-N 277.286 3.592 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc(C(F)(F)F)cn1 853262853 MTOLYRXDDXQWIV-UHFFFAOYSA-N 284.285 3.828 30 20 CHED COc1cc(C)c(/C=C\C(=O)c2ccc(C)o2)cc1OC 751514876 QVXYCNLSCRXRMC-SREVYHEPSA-N 286.327 3.810 30 20 CHED CC(CC1CC1)=NNc1ncccc1C(F)(F)F 756825769 LTSSBEXKDKDIBW-UHFFFAOYSA-N 257.259 3.688 30 20 CHED CCC1(C(=O)OCc2ccc(F)c(C#N)c2)CCCC1 758957195 OLQJQTMKLGPEKW-UHFFFAOYSA-N 275.323 3.711 30 20 CHED Cc1oc(C)c(C(=O)OCc2ccc(F)c(C#N)c2)c1C 758931646 NLCZVNAMGZCBJB-UHFFFAOYSA-N 287.290 3.573 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCC(=O)c1ccccc1 851209297 KGGDMKOQUZWSPS-CYBMUJFWSA-N 287.359 3.521 30 20 CHED C#CCCCC(=O)NCCc1cccc(-c2ccccc2)c1 757993537 GIPKHKGRXSHMEK-UHFFFAOYSA-N 291.394 3.816 30 20 CHED C=CC(C)(C)CCOC(=O)c1cccc(CC#N)c1 851298489 DPIVNXBQZRLAQA-UHFFFAOYSA-N 257.333 3.512 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)NC1CCC(C)CC1 853783662 PASLJXNWRBZMHG-CKBZRRDASA-N 275.845 3.556 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C/c1cccc(F)c1 759611737 PCVKZCXZYWWORO-RMKNXTFCSA-N 287.309 3.927 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccc2c(c1)COC2 759082123 BXWOYFXGTKUTPP-ONEGZZNKSA-N 291.759 3.723 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(-c2ccccc2)cc1 752972917 DTRKLUWMSUJKEU-MRXNPFEDSA-N 278.355 3.887 30 20 CHED CCC[C@H](C#N)NC(=O)/C(C)=C\c1ccccc1Cl 755823753 ZUWCYKDNKFVTQV-PRWOLLLXSA-N 276.767 3.552 30 20 CHED CSc1ccc(/C=C/C(=O)O[C@@H](C#N)C(C)C)s1 860519189 XJZMEQJJIMIEKI-MALLOTDXSA-N 281.402 3.575 30 20 CHED C#CCCOc1ccc(CN2CCCC(F)(F)CC2)cc1 862466344 GODSWZJUHCFDKT-UHFFFAOYSA-N 293.357 3.710 30 20 CHED C#CCCCN(Cc1ccccc1)C[C@H](O)c1cccs1 766905946 NWHQHDOJGMUJPC-KRWDZBQOSA-N 299.439 3.697 30 20 CHED CCCCCCCNC(=O)C(C)(C)C1CCOCC1 862356939 JAGVODXNJLUCMZ-UHFFFAOYSA-N 269.429 3.526 30 20 CHED N#Cc1ccc(OC(=O)C2CCCCCCC2)c(F)c1 769739956 AMXYOLTWUKRPOP-UHFFFAOYSA-N 275.323 3.963 30 20 CHED C=C[C@@H](CC)CC(=O)NCCc1c[nH]c2cc(F)ccc12 931213250 WIHDNKBIAWFISJ-LBPRGKRZSA-N 288.366 3.568 30 20 CHED CC(=NNc1ccc(F)c(Cl)c1)[C@H]1CCCOC1 863178787 FRNMXPOYNBFCDQ-JTQLQIEISA-N 270.735 3.694 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccccc1C(=O)O 766002917 RGUZIACKUYVSQA-JTQLQIEISA-N 260.337 3.609 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C1CC1)[C@@H](C)c1ccco1 930516426 WDDXYLPOIQTOBA-ZDUSSCGKSA-N 294.354 3.826 30 20 CHED C=CCN(C(C)C)S(=O)(=O)/C=C\c1cccc(Cl)c1 768813988 AIPZROSDRVBHLR-NTMALXAHSA-N 299.823 3.537 30 20 CHED C/C(=C/C(=O)N1CCCC(C)(C)[C@H]1C#N)C(C)(C)C 765118891 HAWVPRATPRPSQR-KXXVWKPMSA-N 262.397 3.520 30 20 CHED Cc1cc(OC(=O)/C=C\c2cccs2)ccc1C#N 765094567 MLIFDIRFXQFBKY-SREVYHEPSA-N 269.325 3.547 30 20 CHED COc1cc(CON=C(C)c2cc3ccccc3o2)ccn1 762458260 NNJIMILJQLASMA-UHFFFAOYSA-N 296.326 3.777 30 20 CHED C#CCCc1noc(C2(c3cccc(Cl)c3)CCC2)n1 762002773 ZBOLTWXSRUWIFH-UHFFFAOYSA-N 286.762 3.759 30 20 CHED Cc1ccc(CC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)o1 760154840 XBWPLNTVIDWXOK-GFCCVEGCSA-N 288.372 3.587 30 20 CHED COc1ccnc(CSCc2ccc(CC#N)cc2)c1 1118061468 UZPZMOOWOMRUKG-UHFFFAOYSA-N 284.384 3.590 30 20 CHED O=C(O)c1cc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 762410702 MXUXWLAXJDPEPM-GARJFASQSA-N 292.766 3.872 30 20 CHED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1sccc1O 1116817023 NQKIZXWHLMXRHH-YVMONPNESA-N 299.395 3.950 30 20 CHED Cc1coc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1C 1117135402 RFWRHQJPTSSXAT-GFCCVEGCSA-N 269.300 3.686 30 20 CHED C[C@@H](CCC#N)CNCc1cc(Cl)cc(Cl)c1O 877529485 FJJLGCZFANKBJT-VIFPVBQESA-N 287.190 3.728 30 20 CHED CC(C)(C)ONC(=O)Nc1scc(C(C)(C)C)c1C#N 1119385110 HUVLOJAJULYCGT-UHFFFAOYSA-N 295.408 3.769 30 20 CHED C#CCCCCCC(=O)O[C@@H]1COc2cc(Cl)ccc21 774524973 DFQPREGUYCRRDM-OAHLLOKOSA-N 292.762 3.900 30 20 CHED C=CCC1(C(=O)N2CC[C@H]3CCCC[C@H]3C2)CCC1 1116771326 PQKMJIZHPRFXFE-CABCVRRESA-N 261.409 3.772 30 20 CHED C#CCOc1ccccc1NC(=O)C=C1CCCCC1 775939768 HHJKJZAKGJKUPU-UHFFFAOYSA-N 269.344 3.528 30 20 CHED Clc1cscc1C=NNCCCOc1ccccc1 771884405 NIBVLOMCWNKWOZ-UHFFFAOYSA-N 294.807 3.794 30 20 CHED C[C@H]1CCC[C@H](C(=O)OCc2cccc(C#N)c2F)C1 774963434 RQPSQCOJMXGYFI-RYUDHWBXSA-N 275.323 3.567 30 20 CHED CC(C)(C#N)CCOC(=O)c1cccc(C(F)(F)F)c1 776361681 SMHJZXMQPRRHPC-UHFFFAOYSA-N 285.265 3.802 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2nc(C)c(C)s2)cc1 772151173 GXOIYWNINOSOOA-UHFFFAOYSA-N 299.399 3.629 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccc(F)c(F)c1 773092231 DLDVIJSMDIEBGO-UHFFFAOYSA-N 290.317 3.714 30 20 CHED COc1ccc(CCC=NOCCC(F)(F)F)c(C)c1 777456437 ZEYPKGQMLHHKHL-UHFFFAOYSA-N 289.297 3.891 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(CC)s1 775922662 BYDUJDZTSKSRDS-NSHDSACASA-N 251.395 3.785 30 20 CHED C#CCCCCCC(=O)N(CC(C)C)CC(F)(F)F 779844122 NSWBMFJSAZRTOJ-UHFFFAOYSA-N 277.330 3.617 30 20 CHED C#CC[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1 775400686 RLUICOGTULCOFG-IBGZPJMESA-N 277.342 3.531 30 20 CHED C[C@H](C(=O)OCCC(C)(C)C#N)c1c(F)cccc1F 776395211 CUQKWGDCKSXSJK-JTQLQIEISA-N 281.302 3.551 30 20 CHED C#CCCCCCC(=O)Nc1cc(F)c(F)cc1F 779904563 HJALTOCJWZBXRJ-UHFFFAOYSA-N 269.266 3.626 30 20 CHED CCCCCCCC(=O)NCc1ccncc1CC 778960184 DPGMGHSLYABKTG-UHFFFAOYSA-N 262.397 3.621 30 20 CHED C=CC[C@H](C(=O)OCC(=C)Cl)c1ccccc1 778419420 SOBIRYICWHVISZ-ZDUSSCGKSA-N 250.725 3.642 30 20 CHED C#CC[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 775399542 SKHYRNWSPBGYJA-QZTJIDSGSA-N 299.801 3.728 30 20 CHED CCC(CC)[C@@H]1C[C@@H](/N=C/c2ccccc2O)CCO1 777872782 CHRGFSKMGBHGLG-YQMBXKBSSA-N 275.392 3.795 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnc2ccsc2c1 1120733333 LKAPWEOSALAJQM-ZDUSSCGKSA-N 286.400 3.867 30 20 CHED Cc1cnc(Cl)c(NC(=O)/C=C\c2ccccc2C#N)c1 787984672 RAKDERIFCZTQPK-SREVYHEPSA-N 297.745 3.567 30 20 CHED C=CCC1(O)CCN(c2ccnc3ccc(CC)cc23)CC1 884724703 BHYZLVORMGDCNM-UHFFFAOYSA-N 296.414 3.705 30 20 CHED CC(=O)c1c(F)cccc1N[C@H]1CCc2cc(C#N)ccc21 784832649 VJTPPMBYQFCFDC-INIZCTEOSA-N 294.329 3.999 30 20 CHED CC[C@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@H]1C 1458327552 AXNDZBYOHMULLL-STQMWFEESA-N 271.408 3.876 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccc([N+](=O)[O-])cc1 783769732 AEZZYKIJTPPQBO-NEPJUHHUSA-N 261.325 3.819 30 20 CHED FC(F)(F)c1ccccc1NN=C[C@H]1CCSC1 782111219 NXPKWEAIDKUREF-SECBINFHSA-N 274.311 3.856 30 20 CHED C#CCC1(C(=O)N(C)CC2CCCC2)CCCCC1 788187314 MDDUODMHARJTKB-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1ncncc1Cl 780279947 KAJFBTGYVBRWCT-JTQLQIEISA-N 268.792 3.990 30 20 CHED C=C1CCN(C(=O)OC(C)(C)C)c2nc(C)ccc21 91692588 GFSLRTWFGGPBOR-UHFFFAOYSA-N 260.337 3.548 30 20 CHED CCc1ccc(C(=O)/C=C\c2c(C)noc2CC)o1 899361896 FKDRMTGBJNUFOS-FPLPWBNLSA-N 259.305 3.597 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1F)c1cc(O)ccc1O 782205877 BFLKYQWFTPXZKA-DJWKRKHSSA-N 292.693 3.786 30 20 CHED C(=NOC1CCCCC1)c1scnc1C1CC1 782283684 RUIIYFDTOKECKB-UHFFFAOYSA-N 250.367 3.704 30 20 CHED Cc1cc(COC(=O)[C@@H](C)C(C)(C)C)ccc1C#N 783681511 IQYICPIJIVUZAY-GFCCVEGCSA-N 259.349 3.592 30 20 CHED CC(C)(C#N)CCCNc1cc(F)c(F)cc1F 87598170 UXRFLIGLQZNJOS-UHFFFAOYSA-N 256.271 3.846 30 20 CHED CS[C@@H]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 78476366 CHODUPQQXDEURH-NXEZZACHSA-N 268.332 3.532 30 20 CHED CS[C@H]1CC[C@H](Nc2c(F)cc(C#N)cc2F)C1 78476361 CHODUPQQXDEURH-UWVGGRQHSA-N 268.332 3.532 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccnc(F)c2)c(C)c1 794722722 TVRMINFZLGSWFS-WAYWQWQTSA-N 255.292 3.734 30 20 CHED N#CCCCOC(=O)c1cc2c(F)cccc2s1 796359217 RDIXAUNJJVTAIM-UHFFFAOYSA-N 263.293 3.501 30 20 CHED N#CC1(COC(=O)CC2CC(c3ccccc3)C2)CCC1 798854293 QVPNROGIGXGHQV-UHFFFAOYSA-N 283.371 3.807 30 20 CHED CCCCCCCNC1CCC(O)(C(F)(F)F)CC1 703717428 LQMCKPCZYVWTMB-UHFFFAOYSA-N 281.362 3.782 30 20 CHED CC[C@H]1CCC[C@H]1CNCc1ccc(C#N)c(C)c1 1202458050 YSUSUKUROWMNGH-RDJZCZTQSA-N 256.393 3.783 30 20 CHED N#Cc1ccc(CNC(=O)/C(F)=C\C2CCCCC2)cc1 798293368 SPBBRMAKEUYKHE-MHWRWJLKSA-N 286.350 3.608 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1cc(C)c(C)o1 799883631 KIRCNWUJKDTMMH-UHFFFAOYSA-N 288.738 3.653 30 20 CHED Brc1cncc(NN=C2CCC23CCC3)c1 799884747 JQOLNABSFBOKSP-UHFFFAOYSA-N 280.169 3.576 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1ncc[nH]1 790166519 JOAWAVVJOLVOMB-UHFFFAOYSA-N 269.135 3.553 30 20 CHED Cn1cnc(C=NN(c2ccccc2)c2ccccc2)c1 794446122 XZVXKPFNFDLNTC-UHFFFAOYSA-N 276.343 3.592 30 20 CHED COc1cc(Cl)c(C=NOCCSC)cc1Cl 794572241 MNPPMIJDRTWKCF-UHFFFAOYSA-N 294.203 3.716 30 20 CHED CC[C@H](C)NN=C(C)c1sccc1Br 790183367 QWGIJDKQEIGLSL-ZETCQYMHSA-N 275.215 3.623 30 20 CHED CC[C@@H](C)CCC(=O)OCc1ccc(C#N)cc1C 797165580 ANBMMHOESRNPIY-GFCCVEGCSA-N 259.349 3.736 30 20 CHED CC(C)(C)c1cnc(/C=C/C(=O)c2ccnc(F)c2)s1 794719661 CIKCWXCNXMMTMB-SNAWJCMRSA-N 290.363 3.871 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CCC(F)(F)C2)c(Cl)c1 796374935 OAKNUXMUDQZDQB-SNVBAGLBSA-N 299.704 3.690 30 20 CHED C=CCCC(C)(C)NCc1ccc(Br)cn1 657805857 UVBVQTJHHGFGJU-UHFFFAOYSA-N 283.213 3.679 30 20 CHED CCCCCCCCN(C)CCc1nccs1 753277742 NNJVUPSBDKUFCL-UHFFFAOYSA-N 254.443 3.978 30 20 CHED CCc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1CC 1319803553 HWKQWFNOKUKBOX-UHFFFAOYSA-N 292.382 3.960 30 20 CHED Cc1c(C#N)cccc1C(=O)NC(C)(C)C1CCCCC1 1321395738 JTHUBNLOXPJLNY-UHFFFAOYSA-N 284.403 3.955 30 20 CHED C=C(CC)CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1324859478 MIWOWEQBGKZMOW-CQSZACIVSA-N 269.392 3.709 30 20 CHED CC1(C)CN(C(=O)c2csc(C#N)c2)[C@@H]1c1ccccc1 1325104717 SVUVBQWMBCHUIM-OAHLLOKOSA-N 296.395 3.843 30 20 CHED O=C(/C=C/c1ccc(N2CCCC2)cc1)c1ccccc1O 1322496249 YPLLVGHPTXNXDF-FMIVXFBMSA-N 293.366 3.889 30 20 CHED CN(C(=O)CC#Cc1ccccc1)C1CCCCCCC1 1323872995 QVMLQPQFMDOBBH-UHFFFAOYSA-N 283.415 4.000 30 20 CHED C=C[C@H](COC)N[C@H](CC)c1ccc(Br)cc1 1320306612 XPCOOQQSMBLPHB-ZIAGYGMSSA-N 298.224 3.691 30 20 CHED C=C[C@@H](COC)NCc1cc(C(F)(F)F)ccc1Cl 1338094771 RLQUVIMEIWNBJW-NSHDSACASA-N 293.716 3.649 30 20 CHED C=C(C)CCC(=O)NCC1(Cc2ccc(F)cc2)CC1 1335879570 QIPVJBUREJTNFI-UHFFFAOYSA-N 275.367 3.621 30 20 CHED N#Cc1csc(CNc2ccn(C3CCCCC3)n2)c1 1339155550 FWAAGVNZYJZLPK-UHFFFAOYSA-N 286.404 3.934 30 20 CHED C=C(C)CCC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 1335738009 CAKBEDFYZJZLHH-KRWDZBQOSA-N 287.403 3.551 30 20 CHED CC(C)CCCCC(=O)[C@@H](C#N)c1cccc(F)n1 1342699181 OKEHVUSAGORSIJ-LBPRGKRZSA-N 262.328 3.613 30 20 CHED Cc1ncoc1C(=O)O[C@H](C)CCCC#C[Si](C)(C)C 1346966410 KSJFTFQXHGDTMV-GFCCVEGCSA-N 293.439 3.579 30 20 CHED COc1ccccc1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 1348668743 FAPPJXOZIOIKEV-LBPRGKRZSA-N 298.367 3.519 30 20 CHED N#C[C@H](C(=O)[C@H]1CC=CCC1)c1nc2cccc(Cl)c2[nH]1 1347392000 PJIJOMIWCYZPLW-WDEREUQCSA-N 299.761 3.749 30 20 CHED C#C[C@H](OC(=O)[C@@H](F)CC)c1cccc(C(F)(F)F)c1 1343746388 UWILZUCZQFENJC-RYUDHWBXSA-N 288.240 3.671 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(F)cc1C#N 1435416686 UEPIGFBFFSKUMH-UHFFFAOYSA-N 295.317 3.531 30 20 CHED N#Cc1ccccc1C[S@@](=O)Cc1ccccc1Cl 220606020 MVDWCWHLSUAVHB-LJQANCHMSA-N 289.787 3.661 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CC(C)(C)C#N)c1cccs1 1515590920 WJUHTGXSLPCWOK-RISCZKNCSA-N 290.388 3.822 30 20 CHED N#C[C@@]1(F)CCN(CC2CCC(c3ccccc3)CC2)C1 1459949767 KYOPOORBQNKSFB-VJFUWPCTSA-N 286.394 3.898 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)C1CCC1)c1cccs1 1525965257 YRFRKBSYNIXQPO-GXFFZTMASA-N 263.362 3.682 30 20 CHED N#Cc1ccc(SC[C@H]2CCCC[C@H]2C(=O)O)cc1 1601113599 OBLZHROXYACKBC-TZMCWYRMSA-N 275.373 3.541 30 20 CHED Cc1ccc(Nc2nc(C#N)c(Cl)s2)cc1F 1472639810 HSRUKKZKPZQNLO-UHFFFAOYSA-N 267.716 3.859 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1Cc1cc(C#N)ccn1 1618195382 AYMOMLYSFXZOAX-VCBZYWHSSA-N 291.398 3.720 30 20 CHED CCN(c1cc(C)c(C#N)c2nc3ccccc3n12)C(C)C 1559076549 FDMLGPVYCYIJAU-UHFFFAOYSA-N 292.386 3.902 30 20 CHED CC[C@H](C)Oc1cccc(N[C@H](C)CC(C)(C)C#N)n1 1621490074 SGOVRFPOIIWZAH-OLZOCXBDSA-N 275.396 3.999 30 20 CHED C[C@H](CNc1cc(F)cc(C#N)c1)c1ccccc1 227628857 UUTUJWAXMGYYOW-GFCCVEGCSA-N 254.308 3.913 30 20 CHED C[C@H](C#N)CN(C)c1nc2c(F)cc(Cl)cc2s1 1559069645 YRMAYKNCUAGPNF-SSDOTTSWSA-N 283.759 3.685 30 20 CHED Cc1oncc1CSc1ccc(Cl)cc1C#N 1643746453 JACUIVJRYGTYTE-UHFFFAOYSA-N 264.737 3.800 30 20 CHED Cc1c(Cl)cnc(N2C[C@@H](C)CCC[C@H]2C)c1C#N 1642281852 GEHWHSYDWXYGIU-WDEREUQCSA-N 277.799 3.930 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1nc(Cl)cs1 1651168265 BBPMZSMDEMQCBV-VIFPVBQESA-N 277.780 3.866 30 20 CHED N#Cc1ccnc(CN2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)c1 1652419620 AAIFOIHZVOLFGV-XPYUAMARSA-N 295.430 3.744 30 20 CHED Cc1csc(C(=O)N(CCC#N)c2ccc(F)cc2)c1 1585017819 XVAZMHSGZHEZPB-UHFFFAOYSA-N 288.347 3.756 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 1662638466 ZOYJDMWGEYMXRU-BBRMVZONSA-N 285.391 3.909 30 20 CHED CC(C)[C@@H]1/C(=C\c2c[nH]c(C(=O)O)c2)C(=O)c2ccccc21 1591067602 GGVWNNMLRVDAIP-KAMPRCONSA-N 295.338 3.732 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2ccc(F)c(C#N)c2)C1 1597593657 VTCIJXAWMLYEAZ-LBPRGKRZSA-N 288.366 3.644 30 20 CHED CCC[C@@H](C=NNc1ccc(C(=O)O)nc1)c1ccccc1 1776069794 DEGNACWVBHDXAB-AWEZNQCLSA-N 297.358 3.761 30 20 CHED CCCCCC(C)=NNc1ccc(C(=O)O)c(F)c1 1776073731 KXRFRCQSXYVCFC-UHFFFAOYSA-N 266.316 3.892 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)cc2)c1 1776126898 AQNLBQHXSQYSRQ-DSOJMZEYSA-N 292.334 3.989 30 20 CHED C=CCCC[C@H](N=c1cc[nH]c(C(=O)O)c1)c1ccccc1 1776172092 SFHRKEPQKKAOMM-INIZCTEOSA-N 296.370 3.711 30 20 CHED Cc1c(NN=C[C@]2(C)[C@H](C)[C@@]2(F)Cl)cccc1C(=O)O 1776089008 WSCLDHMGGUZGOR-FZZIBODNSA-N 298.745 3.652 30 20 CHED CC[C@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776074312 TVMRAZNLIUKREE-JTQLQIEISA-N 278.327 3.892 30 20 CHED C=CCN(Cc1cccs1)[C@H](C(=O)O)c1ccccc1 1776181099 RNXUVFVHRRLBAG-HNNXBMFYSA-N 287.384 3.562 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@@H]3CCCC[C@H]3C2)cn1 1776069023 LSYAQTJISMOBCH-RYUDHWBXSA-N 287.363 3.538 30 20 CHED C=CCN(C)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 161355459 KMBCPJVFJFLSIO-SFHVURJKSA-N 294.398 3.798 30 20 CHED C=CCC(CC=C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C 161505137 NSCURQCLCQBBJE-UHFFFAOYSA-N 299.374 3.993 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Cl)ccc1C 163163757 IGONLFPQOCYYGK-UHFFFAOYSA-N 251.757 3.687 30 20 CHED CCCC1(CNC(=O)Nc2ccc(CC#N)cc2)CCC1 151354354 QVTSYVNHWKSXJQ-UHFFFAOYSA-N 285.391 3.845 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@H](Nc2ccccc2)C1 155070079 LTAAXSXBQWJGBO-QGZVFWFLSA-N 285.435 3.893 30 20 CHED C[C@H](CC#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 156037318 FWUDCYFGHVUSPG-PUODRLBUSA-N 262.397 3.567 30 20 CHED C[C@@H](CC(=O)N(C)CCC#N)c1cccc(C(F)(F)F)c1 157038979 DNYYZILAMYHLIF-NSHDSACASA-N 298.308 3.571 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 156304822 HTQWKTOCBMCRDJ-SNVBAGLBSA-N 286.297 3.642 30 20 CHED CN(Cc1cc(C#N)ccc1F)Cc1cccc2[nH]ccc12 155405647 XSMRPASHXUCHEE-UHFFFAOYSA-N 293.345 3.811 30 20 CHED CC(C)(CCC#N)CNc1ccc2ncccc2c1 157500620 CZYDOEJJKMMXMH-UHFFFAOYSA-N 253.349 3.977 30 20 CHED C[C@@H]1C[C@@H](C)CN(c2c(C#N)cnc3ccccc23)C1 36913233 URLBTSAQGOHWPB-CHWSQXEVSA-N 265.360 3.589 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(Cl)s2)[C@H]1C#N 277941737 OJXQRDGREHXYBK-JTQLQIEISA-N 282.796 3.556 30 20 CHED Cc1nsc(NC[C@H]2CCCCC2(F)F)c1C#N 295068775 ZVUZLPKNINMEOY-SECBINFHSA-N 271.336 3.561 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cc1F 308717503 XVIRNWWCPOBCES-MLGOLLRUSA-N 260.356 3.756 30 20 CHED Cc1cc(OCCC#N)c(C)c(C)c1Br 308780539 CGBUCZGHLUMOLQ-UHFFFAOYSA-N 268.154 3.667 30 20 CHED C=C[C@H](C)N[C@H]1CCc2ccc(Br)cc21 308830711 TUZYKMLHZLXCTH-ZANVPECISA-N 266.182 3.601 30 20 CHED CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@@H]2CCC[C@@H]21 404103188 XFMQIVASQWCSPU-GOEBONIOSA-N 272.367 3.708 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H](C)SC 347869535 MTMWHRPIOLQTEW-CQSZACIVSA-N 277.433 3.733 30 20 CHED C#C[C@H](NC(=O)c1oc2ccc(Cl)cc2c1C)C(C)C 704349799 HPHYNQOXYZBMSC-ZDUSSCGKSA-N 289.762 3.782 30 20 CHED C#CCN(C(=O)CC(C1CC1)C1CC1)C1CCCCC1 688780705 OBEWMUDIWNNJCL-UHFFFAOYSA-N 273.420 3.607 30 20 CHED CC[C@@H](COc1ccc(C#N)cc1F)CC(F)F 594892922 LUEVYDCCPSYCRG-SECBINFHSA-N 257.255 3.758 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC12CCCCC2 387030080 OGQOQTJWWDUCNQ-CQSZACIVSA-N 271.320 3.601 30 20 CHED CC(C)(CC(=O)Nc1cc(C#N)ccc1O)c1ccccc1 176833636 KNXZCCYHPMLDGP-UHFFFAOYSA-N 294.354 3.570 30 20 CHED CN(CCC#N)C(=O)c1ccccc1Sc1ccccc1 173232364 KGISRZFOPZYYJU-UHFFFAOYSA-N 296.395 3.823 30 20 CHED C=CCOc1cccc(NC(=O)N(C)CC2CCCC2)c1 58432582 KHWVEIOGELBCDR-UHFFFAOYSA-N 288.391 3.905 30 20 CHED Cc1c(C#N)cccc1NCc1cc(F)ccc1[N+](=O)[O-] 179054557 BBXUPTVWRLTMMM-UHFFFAOYSA-N 285.278 3.526 30 20 CHED N#Cc1ccc(CNc2ccc(C(F)(F)F)cn2)c(F)c1 109542318 UAETZZHYABEJHK-UHFFFAOYSA-N 295.239 3.723 30 20 CHED Cc1nc(CSCc2cc(C#N)ccc2F)cs1 105637128 DPLJINYVSNHRNN-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C[C@H](CC1CCCC1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1 114617981 PTKJPYOMNYFVEQ-CJNGLKHVSA-N 298.386 3.550 30 20 CHED Cc1cccc(CSc2nc(C)nc(C)c2C#N)c1 66964097 YCJNMFHOVBBDKI-UHFFFAOYSA-N 269.373 3.566 30 20 CHED Cc1cccc(C(C)(C)CNc2nnc(C)c(C)c2C#N)c1 63283020 XCKMMXVEGFOQRO-UHFFFAOYSA-N 294.402 3.663 30 20 CHED CCCC(CCC)[S@](=O)Cc1cccc(C#N)c1 108111259 LONYUOPAYLANMT-SFHVURJKSA-N 263.406 3.776 30 20 CHED COc1cc(CCN[C@@H](C)c2ccc(C#N)cc2)ccc1C 174124840 KEOWMZYPRJLUFM-HNNXBMFYSA-N 294.398 3.769 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(CCC(C)C)C1CC1 178539745 SMCWUNWINUAPCI-UHFFFAOYSA-N 285.391 3.909 30 20 CHED CCc1ccc(N/C(N)=N/Cc2cc3ccccc3o2)cc1 303877572 ISBBPNUYOVUPSO-UHFFFAOYSA-N 293.370 3.922 30 20 CHED N#Cc1cccc(CNc2ncnc3cc(Cl)ccc23)c1 301104566 VACKZEOIXHETGW-UHFFFAOYSA-N 294.745 3.767 30 20 CHED C=C[C@@H](CC(=O)OCc1cnc(C)s1)c1ccccc1 179222493 WUJMKAXSFDGBRH-ZDUSSCGKSA-N 287.384 3.855 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)c1cccnc1 119018590 COPYEJKZJLRXFL-CQSZACIVSA-N 275.396 3.530 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 303049131 ITXRPTCIJROUSL-OKZBNKHCSA-N 283.415 3.680 30 20 CHED CCCC[C@@H](CCC)NC(=O)C1(C#N)CCCC1 177650174 QRLQLSYMWBZHEQ-CYBMUJFWSA-N 250.386 3.545 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(CCC#N)Cc1cccnc1 114320740 CGJQCQPFILCMBE-HNNXBMFYSA-N 299.418 3.540 30 20 CHED N#Cc1ccc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 301069922 FFSBPOHVLKMKGK-HNNXBMFYSA-N 295.361 3.636 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(F)ccc1C#N 468952631 LIXQAEFLLVGUJV-PBFPGSCMSA-N 272.367 3.850 30 20 CHED C=CCCCC(=O)NCCCc1ccc(Cl)cc1 175496595 HYPXGXMYIWZVSO-UHFFFAOYSA-N 265.784 3.745 30 20 CHED CCN(Cc1cccs1)Cc1cc(C#N)cs1 179721185 INCPWKUWCDTRID-UHFFFAOYSA-N 262.403 3.703 30 20 CHED C#Cc1cccc(NC(=O)CCn2ccc3ccccc32)c1 22409129 MWMAYBJYCZEHGO-UHFFFAOYSA-N 288.350 3.651 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CCCC2)cc1 66397007 SRSASJDDJSFLFT-INIZCTEOSA-N 284.403 3.855 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(-n2cccn2)cc1 171939732 AYFLZHISSKBSFI-UHFFFAOYSA-N 296.418 3.634 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@@H]2CCC[C@H](C)C2)n1 122406011 VIBFNCBWRGUGEO-CYZMBNFOSA-N 276.405 3.844 30 20 CHED CCCCCCCCCC(=O)N[C@@]1(C#N)CCSC1 124575801 PLLVWHVLGSCJMT-OAHLLOKOSA-N 282.453 3.643 30 20 CHED CN(Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)n1 301120090 MBEGGFTZDVGKRZ-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc(SCC#N)c1 185410789 YKPAKAMGCXBSDZ-IUODEOHRSA-N 288.416 3.563 30 20 CHED COc1ccc([C@H](C)N(C)Cc2ccc(C#N)s2)cc1 125826991 AIESLSFTMMRYQX-LBPRGKRZSA-N 286.400 3.821 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCc3ccccn3)c2c1 301372504 VZHKEZHPRPMZEZ-UHFFFAOYSA-N 288.354 3.730 30 20 CHED Cc1cccc(C2(C(=O)Nc3ccc(F)c(C#N)c3)CC2)c1 76824678 QSJVQAIGPLTZMZ-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C[C@H](NCCc1cccs1)c1cccc(C#N)c1 37211913 HHHIFIFIQMUDBU-LBPRGKRZSA-N 256.374 3.513 30 20 CHED CSc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1 78022961 WPXLHWYYTFTBMT-QPJJXVBHSA-N 273.332 3.839 30 20 CHED Cc1ccc(OCCCCNc2ccc(C#N)cn2)cc1 79935123 RBLYYTHVDKWMTL-UHFFFAOYSA-N 281.359 3.533 30 20 CHED CC(C)(C)c1ccc(OC(=O)C2(C#N)CCCC2)cc1 70807623 HEACLVJZLXQMBB-UHFFFAOYSA-N 271.360 3.973 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N1CC2(CCCC2)c2cccc(F)c21 410768025 OPSPBNSIXIVNHF-KPZWWZAWSA-N 298.361 3.534 30 20 CHED C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(F)c1F 185869746 UVRWYOKYAXENCF-WOPDTQHZSA-N 264.319 3.698 30 20 CHED CC(C)(C)c1csc(NC(=O)[C@H]2CCCS2)c1C#N 410929640 NRAWTHZAUWXROB-LLVKDONJSA-N 294.445 3.751 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(SC(C)C)cc1 183870623 XHRBJGYRRSOYGO-ZDUSSCGKSA-N 276.405 3.609 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@H](C)C1(C)CC1)c1ccccc1 123730123 TZLCAMMNIARNSU-CABCVRRESA-N 271.404 3.993 30 20 CHED N#CCC[C@@H](C#N)COc1ccc(Cl)c(Cl)c1 122650773 YNEMPNVSOVZXQM-VIFPVBQESA-N 269.131 3.816 30 20 CHED N#Cc1cc(F)ccc1NCc1ccccc1N1CCCC1 317429435 RRFMEQCZEWNWNK-UHFFFAOYSA-N 295.361 3.910 30 20 CHED CCN(Cc1ccc2c(c1)OCO2)CC(C)(C)CCC#N 120042221 XCJMOSQVNVVWSH-UHFFFAOYSA-N 288.391 3.567 30 20 CHED C#CCCOC(=O)c1ccccc1Oc1ccccc1C#N 182083883 HZIWZEXOTOFGNJ-UHFFFAOYSA-N 291.306 3.531 30 20 CHED COc1ccc(C(C)(C)CN[C@H]2CCC[C@H](C#N)C2)cc1 185822023 UHJCUOKWPDBKSL-HOCLYGCPSA-N 286.419 3.645 30 20 CHED CCCCCCCC(=O)N1CCNC[C@H]1c1ccccc1 313367506 YQTWUIFKAXNKJL-KRWDZBQOSA-N 288.435 3.520 30 20 CHED C=CCCCC(=O)N1Cc2ccccc2C[C@H]1CC 186400523 HBPMLJUMDBKFBG-MRXNPFEDSA-N 257.377 3.706 30 20 CHED CS[C@H]1CCC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 235179412 YMRPIUIXNVZGMT-SFYZADRCSA-N 287.841 3.754 30 20 CHED C=C(C)CN(CC)Cc1ccc(C#N)cc1Br 180940023 FDXJOUPVUKPHDK-UHFFFAOYSA-N 293.208 3.719 30 20 CHED C[C@]1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CC=CCC1 410646222 YNORZGIBWJRKGO-HOCLYGCPSA-N 288.778 3.767 30 20 CHED Cc1nnc(SCc2ccc3c(c2)CCC3)c(C#N)c1C 182702682 JOHMTJIRUCBNSA-UHFFFAOYSA-N 295.411 3.746 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 180423847 XCCPWBJKXONQDS-VXGBXAGGSA-N 293.794 3.630 30 20 CHED Cc1cc([C@H](C)NCCCSCC#N)c(C)s1 182983803 NHMGRPVERSAYBE-NSHDSACASA-N 268.451 3.662 30 20 CHED Cc1nc(N2CC[C@@H](c3ccccc3)C2)c(Cl)cc1C#N 314349938 MJCWYIGHLXGHBK-CQSZACIVSA-N 297.789 3.909 30 20 CHED CCOC(=O)[C@@H](CC)S[C@@H](C)c1cccc(C#N)c1 189854080 XUUHXOJXEBFDOY-SMDDNHRTSA-N 277.389 3.694 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCCC2)CC1 189896801 SZOJZRPGVOGCOE-LPHOPBHVSA-N 297.446 3.570 30 20 CHED CN(Cc1cccc(CN2CCCCC2)c1)CC(C)(C)C#N 411793688 QIKCNKMUMZYLLP-UHFFFAOYSA-N 299.462 3.654 30 20 CHED C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccccn1 181813208 XOBSRYFORKXOQB-AWEZNQCLSA-N 279.387 3.734 30 20 CHED CC(C)(C)CCCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 183927618 NUQPTPMDFSRMJX-IBGZPJMESA-N 298.430 3.770 30 20 CHED Cc1ccc(CC(C)(C)NC(=O)c2cc(C#N)cs2)cc1 416061223 LNRYEOMKEYUVJW-UHFFFAOYSA-N 298.411 3.679 30 20 CHED C=CCc1cc(CN[C@@H]2CCC(C)(C)C2)cc(OC)c1O 507717074 IXTWBJXSJNKALI-OAHLLOKOSA-N 289.419 3.798 30 20 CHED CC(C)c1csc(N=C(O)[C@H]2CCC(=O)[C@@H](C)C2)n1 328910557 FSWOXJXNEKXIPO-UWVGGRQHSA-N 280.393 3.860 30 20 CHED Cc1nc(C)c(N=C(O)c2oc(C3CC3)nc2C)s1 329540636 WTKQDTZEQUFBLG-UHFFFAOYSA-N 277.349 3.570 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 135018873 RQIJMHCSAFKLCJ-QGZVFWFLSA-N 286.375 3.502 30 20 CHED CC#CCN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 135269887 KCPPZJBMGHXHDD-OAHLLOKOSA-N 292.382 3.613 30 20 CHED C=CCOCCCN[C@@H](c1ccc(F)cc1)C(C)C 502483178 HBTXBDZBJOUGMI-MRXNPFEDSA-N 265.372 3.705 30 20 CHED CCn1ncc2ccc(N=C(O)[C@@H]3CCC(=O)[C@H](C)C3)cc21 329010679 ZQFOOVSQFIGYKJ-VXGBXAGGSA-N 299.374 3.650 30 20 CHED COc1cc(CN(C)[C@H]2CC[C@@H](C#N)C2)ccc1SC 429684292 JYOGMMOXXJIYKW-OCCSQVGLSA-N 290.432 3.541 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1C#N 132507709 UMIFUCGCCOXFPR-SOFGYWHQSA-N 277.323 3.771 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1OC(C)(C)C 86296377 YDEAGRLPPOMYDK-LBPRGKRZSA-N 289.379 3.630 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425685551 TVXAQGNIFMIZRO-XJKSGUPXSA-N 299.418 3.934 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 192851323 WOPLJSDCWHCQCB-VIFPVBQESA-N 281.739 3.579 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC)Cc1ccccc1 517753950 UOGAGHROEWHTEV-CVEARBPZSA-N 259.393 3.726 30 20 CHED Cc1ncc(N=C(O)CC[C@@H]2CCCCO2)c(C2CC2)n1 328779185 MAVOHWSHXOZDJA-ZDUSSCGKSA-N 289.379 3.600 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@H]1CC12CCCCC2 329120926 QFGAGSIPWQGJCT-LBPRGKRZSA-N 262.353 3.573 30 20 CHED CC1(C)CCC[C@@H]1C/N=C(/O)c1snnc1C1CC1 329329219 KYCMJOLVGIQWMA-SNVBAGLBSA-N 279.409 3.546 30 20 CHED C=C[C@@H]1OCCC[C@H]1C(=O)NC1(c2ccccc2)CCCC1 424500277 IMCVMNSCHYNHNP-SJORKVTESA-N 299.414 3.553 30 20 CHED CC[C@H](C)n1ncc(N=C(O)[C@H]2CCC(=O)[C@@H](C)C2)c1C 330078051 NJWCWNMPIHRQST-GVXVVHGQSA-N 291.395 3.756 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C1 335375996 CVSLQMHYBITQIG-JOYOIKCWSA-N 297.280 3.519 30 20 CHED C=CCn1c(C2CCC2)nnc1N1C[C@H](C)CC(C)(C)C1 337863630 ORYZHFZPNZONIQ-CYBMUJFWSA-N 288.439 3.604 30 20 CHED C=CCN(CCC1(OC)CCC1)Cc1ccc(OC)cc1 338920787 MRKSDNKTFGCJPS-UHFFFAOYSA-N 289.419 3.642 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2cccc(Cl)c2)C1 192606739 QMJVYKHGMYJHQY-HIFRSBDPSA-N 262.784 3.554 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc4ncccc4c3)nc2c1 96874462 MUTCRTKGBAAZCL-UHFFFAOYSA-N 270.295 3.650 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCC[C@H](C)C1 337902904 RSKAMBNVOLSZMN-WFASDCNBSA-N 270.376 3.517 30 20 CHED Cc1cc(C)c(C(=O)NCc2cc(C#N)ccc2F)c(C)c1 90620861 NAJBKSKCCUDWNG-UHFFFAOYSA-N 296.345 3.553 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCc2sccc2[C@@H]1C 337895892 LGQNKRAMAFVBSU-LBPRGKRZSA-N 296.395 3.688 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](CC#N)c1ccccc1 337092870 MVOMIYUIXGYEPI-JKSUJKDBSA-N 270.376 3.545 30 20 CHED CC(C)(C)OCc1cccc(CNc2cnccc2C#N)c1 94153708 AJEPBBZEGCXMGG-UHFFFAOYSA-N 295.386 3.880 30 20 CHED CC(C)CSCCCn1nc(C#N)c2ccccc21 432497882 RZLFHJLRTVVBHK-UHFFFAOYSA-N 273.405 3.687 30 20 CHED C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 335888362 KHZARPOUWHRLSG-CHWSQXEVSA-N 285.391 3.750 30 20 CHED C=CC1CCN(Cc2cnc(C)n2-c2ccccc2)CC1 93359247 MEFTVRDOWZGYEH-UHFFFAOYSA-N 281.403 3.579 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@H]1CCCCN1C1CC1 433804046 OTTGVONVLLDWID-OAHLLOKOSA-N 289.810 3.640 30 20 CHED CSCc1ccccc1NC(=O)c1cc(C#N)oc1C 436111019 UAVJSNXGBJDUIY-UHFFFAOYSA-N 286.356 3.575 30 20 CHED Cc1ccc(/C(O)=N/[C@](C)(C#N)CC(C)C)c(C)c1 330756712 HLYJUGVUJJTVQQ-INIZCTEOSA-N 258.365 3.936 30 20 CHED C=CCCCSCC(=O)N[C@H](C)Cc1ccccc1C 437268783 MXHAMUNXQAJUNM-OAHLLOKOSA-N 291.460 3.742 30 20 CHED CC(C)CC[C@H](C)Nc1nc(Cl)c(C#N)s1 232582408 MWPIZBDHARBVGT-QMMMGPOBSA-N 257.790 3.905 30 20 CHED C[C@]1(C(O)=Nc2ccc3ccoc3c2)C[C@H]2CC[C@H]1O2 330115792 UJXPDOVONFDOQQ-XPKDYRNWSA-N 271.316 3.978 30 20 CHED Cc1c(C(=O)NCC2(C)CC2)sc2ccc(C#N)cc12 341872128 OWDOSJIRYJHNAU-UHFFFAOYSA-N 284.384 3.611 30 20 CHED CCO[C@H](CCN[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C 346228563 ZAFVQFJZSDPNSX-SUMWQHHRSA-N 292.398 3.799 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(C#N)cn1C(C)(C)C 346910587 FRMVGCRYQVXRKC-GXTWGEPZSA-N 287.407 3.880 30 20 CHED C=CCN(Cc1cccc(C)n1)Cc1ccccc1F 347368040 UEPUFOUYHQBKJK-UHFFFAOYSA-N 270.351 3.717 30 20 CHED COc1cccc2c1CCCN2CCCC(C)(C)C#N 433306317 QPVZZZJIHIWCSX-UHFFFAOYSA-N 272.392 3.778 30 20 CHED C=CCOCCCN(C)C1CCC(C(F)(F)F)CC1 344149938 FLJCFGJMTMFPIH-UHFFFAOYSA-N 279.346 3.632 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(Cl)cc2)no1 528062276 FQZBBGXHNDSNNG-UHFFFAOYSA-N 275.739 3.971 30 20 CHED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccco1 341453228 BBKYANFHTUVXKL-UHFFFAOYSA-N 292.294 3.591 30 20 CHED Cc1c(C)c(C)c(CNC(=O)C2(C#N)CCCC2)c(C)c1C 435302431 NMCVITNYCAFSGX-UHFFFAOYSA-N 298.430 3.929 30 20 CHED Cc1cc(N2CCCC2)ccc1NC[C@H](C)CCC#N 602492224 DQRKDEGGZCKDTL-CQSZACIVSA-N 271.408 3.947 30 20 CHED C=CCCN(C)Cc1cn(C)nc1-c1ccccc1Cl 343459341 DBHCJOGASYWMOG-UHFFFAOYSA-N 289.810 3.748 30 20 CHED C[C@H]1CCC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 344181015 YGDYNEYERZTPFV-YOEHRIQHSA-N 296.414 3.675 30 20 CHED C[C@@H]1CCC[C@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 341448960 FJYQSWVCTXYVQE-PVAVHDDUSA-N 299.418 3.767 30 20 CHED CC1(C)COc2cc(N[C@H]3CCC[C@H](C#N)C3)ccc21 529641144 JGKJQPCJQLDMPO-STQMWFEESA-N 270.376 3.851 30 20 CHED C=C1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 525369976 UTYYYDQCOHIKQQ-NWDGAFQWSA-N 293.769 3.761 30 20 CHED Cc1cc(C)c(-c2csc(NC(=O)[C@H](C)C#N)n2)cc1C 609919711 FCIOQXYMUDSJLC-GFCCVEGCSA-N 299.399 3.834 30 20 CHED C[C@H](ON=Cc1cccs1)c1nc(-c2ccccc2)no1 255622165 DDTZUKSXCXLUHU-NSHDSACASA-N 299.355 3.910 30 20 CHED C[C@@H]1CC=CC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 341505147 AAOHTRABRDZEHR-TYNCELHUSA-N 288.778 3.623 30 20 CHED C[C@@H](C(=O)N(CC#N)C1CC1)c1c(Cl)cccc1Cl 609579981 RGVXVEVAORKEAU-SECBINFHSA-N 297.185 3.611 30 20 CHED Cc1c(C(=O)NCCC#N)oc2c1ccc1ccccc12 343896650 KGNWJLXSEBJWSL-UHFFFAOYSA-N 278.311 3.538 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(CS(=O)(=O)CC)cc1 449771165 FIVYDIDVHMJGKP-ZIAGYGMSSA-N 295.448 3.634 30 20 CHED C[C@H](CN(C)c1ccc(C#N)cc1F)c1ccccc1 608974438 WSXNHZZZGABOCA-CYBMUJFWSA-N 268.335 3.937 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)CC1CCCCC1 446253729 TZUKCPNDAMYOMB-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 350020173 KVXPBVJLXRHTPN-UHFFFAOYSA-N 297.280 3.617 30 20 CHED CCc1c(NCc2cccc(C#N)n2)cnn1C(CC)CC 602628379 APMRDVYKECWJRA-UHFFFAOYSA-N 297.406 3.685 30 20 CHED C=CCCC1(C(=O)Nc2ccc3[nH]c(C)cc(=O)c3c2)CC1 357112063 VDQSGPIAPNPZLG-UHFFFAOYSA-N 296.370 3.521 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2ccccc2)CC1 602437556 ZDKSORNGNWTHTM-HNNXBMFYSA-N 256.393 3.806 30 20 CHED C[C@H](CCC#N)CNCc1cccc(C(F)(F)F)c1 602498443 KEEKMKINHIOLMO-LLVKDONJSA-N 270.298 3.735 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1 449177072 ORXWLVPWMAUHQY-WFXMFSGNSA-N 285.497 3.791 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C#N)cc1 539827481 DCTAJXVTZDVGSD-HNAYVOBHSA-N 276.383 3.936 30 20 CHED C=C1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 533419091 BEQHDOXXBCOAPJ-CYBMUJFWSA-N 292.810 3.627 30 20 CHED N#Cc1cc(C(=O)Nc2ccccc2-c2cccs2)c[nH]1 351846722 VDWUSNUXYGBLJB-UHFFFAOYSA-N 293.351 3.867 30 20 CHED C[C@H]1CCC[C@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)C1 443522295 YKWPBNDBAIOGOX-QWRGUYRKSA-N 297.324 3.987 30 20 CHED C=CCOCc1nc(CSc2ccc(Cl)cc2)no1 355619421 CGPAXJIRKONTSR-UHFFFAOYSA-N 296.779 3.718 30 20 CHED C=C(CC)CN1CCC[C@@H]1Cn1c(C)nc2ccccc21 358869550 HYNGVGVYCVGNSE-MRXNPFEDSA-N 283.419 3.775 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc(OCC)c(Cl)c1 539436275 JXRDZQYRBBLVNS-LLVKDONJSA-N 296.798 3.608 30 20 CHED COc1ccc(C#N)cc1Cn1ccc(-c2cccs2)n1 356032978 APTGTFWDMVCMLV-UHFFFAOYSA-N 295.367 3.540 30 20 CHED C=CCC[C@@H](NCc1cn2ccccc2n1)c1ccco1 353447979 MXNCAGOAGXTODN-OAHLLOKOSA-N 281.359 3.724 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccc(-c3ccccc3)cc2)C1 615639037 KNYMDDUZJICPCK-SFHVURJKSA-N 280.346 3.791 30 20 CHED C=CCSCCNC(=O)c1ccc(C2=CCCC2)cc1 353490374 KVJPZNCQPRSYHM-UHFFFAOYSA-N 287.428 3.903 30 20 CHED N#CCCN(Cc1ccccn1)C(=O)CC1CCCCCC1 267425634 TZFCALGXZMPRQN-UHFFFAOYSA-N 299.418 3.684 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1 617789994 ZOADPILUJQLRGG-UGUYLWEFSA-N 261.409 3.627 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C=C)cc2)C1 617780988 BRXGTHYWPLZMRR-OAHLLOKOSA-N 255.361 3.758 30 20 CHED C=CCCC1(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)CC1 530288250 AKAIOGSZCQULHI-GOSISDBHSA-N 299.414 3.507 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)Cc1ccc(CC)cc1)OCC 534414252 LGUSYWCCCJHENL-QGZVFWFLSA-N 289.419 3.579 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nccc2ccccc12 615887367 VUEJSENOLHZJPD-MRXNPFEDSA-N 254.333 3.776 30 20 CHED C=C1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 533706413 UKKKQPKZKSPZOK-CYBMUJFWSA-N 277.795 3.697 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc([C@@H]2C[C@H]3CC[C@H]2C3)no1 361025286 LTVWKLNAGVKXEO-GUYJKWIASA-N 293.370 3.997 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(C)(C)c1ccccc1OC 539437634 YVKNZHZAKDFXHH-CQSZACIVSA-N 289.419 3.834 30 20 CHED Cc1ccc(C#N)nc1NCCc1cccc(Cl)c1 611398909 BTJFGHAHINEDTM-UHFFFAOYSA-N 271.751 3.570 30 20 CHED N#Cc1cc(C(=O)NCCC2=CCCCC2)ccc1Cl 539751117 QNPUOYVUNZPNLI-UHFFFAOYSA-N 288.778 3.832 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](c2cccc(F)c2)C1 614397271 HZGGJCIPWIPSIP-GOSISDBHSA-N 294.373 3.995 30 20 CHED C=C(C)CCN[C@@H](COC)c1cccc(Cl)c1F 453316301 KAOSACGJLZNLRW-ZDUSSCGKSA-N 271.763 3.722 30 20 CHED C[C@@H](CC(=O)N1CCC[C@](C)(C#N)C1)C1CCCCC1 612243031 OFEDZQCYNKVHBD-WMLDXEAASA-N 276.424 3.745 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 452182366 LFSWYNZYBXNNOU-LBPRGKRZSA-N 288.347 3.540 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@H]2CCO)c(C(F)(F)F)c1 274995052 FJBVBZBWIAXWPC-AAEUAGOBSA-N 298.308 3.540 30 20 CHED CN(CCC#N)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 610934757 ZATXCPWTFBOYFB-UHFFFAOYSA-N 298.317 3.604 30 20 CHED Cc1ccccc1[C@@H]1CCCN1CC1(C#N)CCC1 450270440 RSWFARKJAGVLHK-INIZCTEOSA-N 254.377 3.826 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 367533640 NDDJWOODKXJETA-UWWQBHOKSA-N 284.403 3.578 30 20 CHED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCCCO1 360876017 YCXUGFLALKBERR-KYNGSXCRSA-N 298.430 3.873 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)cs1)C1CCCC1 458350698 XIWIXYJZYLDVFW-ZDUSSCGKSA-N 276.405 3.708 30 20 CHED Cc1ccnc(N[C@H](c2ccccc2)[C@@H]2CCCO2)c1C#N 273384826 UCHRGPNXJYEAEN-DLBZAZTESA-N 293.370 3.594 30 20 CHED CC#CCCCC(=O)N(C1CC1)[C@H](C)c1ccccc1 274312534 XRUDGUVGAUOFPQ-OAHLLOKOSA-N 269.388 3.932 30 20 CHED Cc1ccccc1[C@H](NC(=O)NCC(C)(C)CC#N)C1CC1 458371455 AFZHOOIXDTVXSL-MRXNPFEDSA-N 299.418 3.685 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1OC(F)F 454222278 WBNOWLCHILEPBP-UHFFFAOYSA-N 284.306 3.622 30 20 CHED Cc1ccc([C@@]2(C)CCN(CC3(C#N)CCC3)C2)cc1 450876608 JMRKHJNARZHSMF-KRWDZBQOSA-N 268.404 3.652 30 20 CHED C=C1CCN(C[C@H](OC)c2ccc(Cl)cc2)CC1 549137037 HDJXGVDWIAIRBO-HNNXBMFYSA-N 265.784 3.680 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)[C@@H]1COc2ccccc21 543554731 XLENGSPMCHNSER-DZKIICNBSA-N 259.393 3.886 30 20 CHED C=C(C)CN1CCC(NC[C@H](C)c2ccc(C)cc2)CC1 628212110 KGDVHRJFMYLOAR-KRWDZBQOSA-N 286.463 3.729 30 20 CHED C=CCC1(C(=O)Nc2ncccc2C)CCCCC1 459898637 ZNUSSTYROHFPGJ-UHFFFAOYSA-N 258.365 3.855 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(F)cn1 276431804 YXBUOJFSWYGWHF-UHFFFAOYSA-N 283.350 3.505 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1ccccc1OC1CCCC1 457567428 HCGSPDRFVRNQCW-CQSZACIVSA-N 287.403 3.631 30 20 CHED C=CCC[C@@H](C(=O)N(C)CCC=C)c1ccccc1 276382209 LPSXISCABYDYCD-MRXNPFEDSA-N 257.377 3.771 30 20 CHED Cc1ccc([C@@H]2CCCN2CC2(C#N)CCC2)cc1 450211143 OJSHWYRBTSRNMQ-INIZCTEOSA-N 254.377 3.826 30 20 CHED Cc1ccc(CCCN(CC#N)C2CCCC2)cc1 543207966 XHPLKDHRVYFJQQ-UHFFFAOYSA-N 256.393 3.696 30 20 CHED C=CCCNc1cc(Cl)ccc1OC1CCN(C)CC1 453143837 JNEKKRRVSYLXPO-UHFFFAOYSA-N 294.826 3.801 30 20 CHED C=CCOCCN(C)CCc1cccc2ccccc12 549806886 YJADZELDKIVJGW-UHFFFAOYSA-N 269.388 3.517 30 20 CHED CN(CC#Cc1cccc(Cl)c1)CCc1ccccc1O 541389503 AAHCUQWSPBLQES-UHFFFAOYSA-N 299.801 3.572 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1ccc(C)o1 277207687 GXCTXSLWHIRMJD-CQSZACIVSA-N 281.396 3.881 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OCCC)c(OC)c1 627143518 LNMWQEYYTYGVPZ-LBPRGKRZSA-N 292.379 3.570 30 20 CHED Cn1cc(-c2ccccc2CNCC(C)(C)CCC#N)cn1 378273167 PFAIRSLCGAOZHM-UHFFFAOYSA-N 296.418 3.507 30 20 CHED CC#CCCCC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 466440045 YPNNGKSKQYUSQC-GOSISDBHSA-N 285.431 3.968 30 20 CHED CCOCCC1(CN[C@H](CC)c2ccc(C#N)cc2)CC1 278615775 FYMULLXFTGTMHY-QGZVFWFLSA-N 286.419 3.806 30 20 CHED C=CCC[C@H](NCC[C@H]1CCO[C@H](C)C1)C1CC1 541559057 KLIYUAXEMNVTIO-YCPHGPKFSA-N 251.414 3.526 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1[C@H](C)CCC 460934611 SXTSUQVDHLHNLO-UKRRQHHQSA-N 276.428 3.568 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 542716833 ICPWWSODGWPHJA-QWRGUYRKSA-N 278.783 3.766 30 20 CHED COc1ccc(CN2CCC(CC#N)CC2)c2ccccc12 542852718 BJXVCKUUDLMQNE-UHFFFAOYSA-N 294.398 3.974 30 20 CHED C[C@@H](C(=O)NCc1ccc(Cl)cc1)c1cccc(C#N)c1 461769000 WQRXTVAPAKKBDP-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C=CCCc1nc(-c2ccccc2OC(F)(F)F)no1 544973434 VWNCJNFRSWEZNB-UHFFFAOYSA-N 284.237 3.754 30 20 CHED C=C[C@H](C)NC(=O)NCc1ccc(Oc2ccccc2)cc1 465225557 RXLYYYGGCZLFEV-AWEZNQCLSA-N 296.370 3.853 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ncsc1-c1ccccc1 466535693 HSNNWIINAHAXQX-CYBMUJFWSA-N 286.400 3.895 30 20 CHED CC#CC(=O)NC1(c2c(Cl)cccc2Cl)CCC1 283841207 VBKHTQHYAPPXPW-UHFFFAOYSA-N 282.170 3.512 30 20 CHED N#Cc1cccc(CN[C@H]2C[C@H](c3ccccc3F)C2)c1 280699482 SGBWNRXZNDAKMH-WKILWMFISA-N 280.346 3.733 30 20 CHED CC1(CC(=O)N[C@](C)(C#N)C(C)(C)C)CCCCC1 464157123 COKNODVPPABHGT-MRXNPFEDSA-N 264.413 3.791 30 20 CHED CC[C@](C)(C#N)C(=O)NCCc1c(Cl)cccc1Cl 285145518 POTNFLIHIDKODX-CQSZACIVSA-N 299.201 3.592 30 20 CHED C#CCCCc1nc(-c2ccc(CSC)cc2)no1 288821106 ASEVKUUKERHBBO-UHFFFAOYSA-N 272.373 3.556 30 20 CHED N#C[C@H](Sc1nc(O)cc(C(F)F)n1)C1CCCCC1 289317942 DIWWOQXMOCFBOD-JTQLQIEISA-N 299.346 3.684 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(OC)c(C)cc1C 280569499 SXEUQQXHZXVCAQ-UHFFFAOYSA-N 274.364 3.518 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 467015465 WPNWJPOKFMRQJS-HOTGVXAUSA-N 272.392 3.540 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(COC(C)C)cc1 280715915 IIMLTGQQQAZHDH-UHFFFAOYSA-N 298.342 3.637 30 20 CHED COc1ccc(C[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)cc1 559105875 ITCKYVRSUMLDOI-SQNIBIBYSA-N 298.430 3.642 30 20 CHED C=CCCCNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 468399127 GOLOUSGNKVWICK-KGLIPLIRSA-N 297.320 3.891 30 20 CHED CO[C@@H]1CCC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 463662865 TUCHBOFRTRMWCA-QMTHXVAHSA-N 298.308 3.804 30 20 CHED Cc1cc(C)nc(Nc2cccc(OCCCC#N)c2)n1 555949770 ZBMPMHXEGXNFIK-UHFFFAOYSA-N 282.347 3.520 30 20 CHED C#CCCCC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 288433367 OLTWGMLTDVCXDD-NVXWUHKLSA-N 269.388 3.790 30 20 CHED CCc1ccc(N(CC)C(=O)c2cc(C#N)oc2C)cc1 280565817 KXPQSCQEFJEHBQ-UHFFFAOYSA-N 282.343 3.689 30 20 CHED C=CCCCC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 471552482 SJIOGKRBCJDCKJ-HOCLYGCPSA-N 275.367 3.934 30 20 CHED CC[C@H](CNc1cc(C#N)ccn1)Oc1cccc(C)c1 553489354 JZCASLPDQLVLQP-OAHLLOKOSA-N 281.359 3.531 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCCC=C(C)C 479848787 OUJNBQRRWHXKES-UHFFFAOYSA-N 278.421 3.802 30 20 CHED CC(C)(C#N)CCN[C@@H](c1ccccc1)C(F)F 292866923 WVUMSIKJQAVGEZ-LBPRGKRZSA-N 252.308 3.522 30 20 CHED C[C@H](CCC#N)N1CCC(c2ccccc2F)CC1 556811685 LTJWVHPZVAEJFH-CYBMUJFWSA-N 260.356 3.697 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCc1cncs1 550649224 JTSHBYIWWOQWPU-UHFFFAOYSA-N 292.448 3.671 30 20 CHED Cc1cc(F)ccc1-c1noc(Cc2ccc(C#N)cc2)n1 389334362 QGQBTXAOOIMKLV-UHFFFAOYSA-N 293.301 3.647 30 20 CHED C=CC1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 649718574 BPADBYQDEBGFDO-GFCCVEGCSA-N 277.795 3.868 30 20 CHED C#C[C@H](NC(=O)N[C@H](C)[C@H](C)c1ccccc1)C(C)(C)C 808278934 MWJHXFQCBILESU-LZWOXQAQSA-N 286.419 3.526 30 20 CHED C=C(Cl)COC(=O)c1csc(-c2ccccc2)n1 804648715 JPHINCRQJCGYSV-UHFFFAOYSA-N 279.748 3.719 30 20 CHED CCc1c(C(=O)/C=C\c2cn(C)cn2)oc2ccccc12 800792344 BJXQOVTYGIMKKT-HJWRWDBZSA-N 280.327 3.625 30 20 CHED C[C@@H]1Oc2ccccc2[C@H]1/N=C/c1cc(Cl)ccc1O 809144109 DFTGYSHRPUVXDP-AZUZPMOESA-N 287.746 3.987 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2CC)[C@H]1SC 807963157 NTSKZPYHNLEOST-LSDHHAIUSA-N 278.421 3.557 30 20 CHED C=CCCCCNC(=O)N[C@@H](c1ncccc1C)C(C)C 472838853 WXXKSLFTDGWQJB-OAHLLOKOSA-N 289.423 3.743 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(C(C)C)c1 806151174 CSLWUNLBHSGDOT-CQSZACIVSA-N 258.365 3.733 30 20 CHED CC1(c2ccccc2)CCC(=NN[C@H]2CCSC2)CC1 808001688 OABCLOULRVQENT-BHWOMJMDSA-N 288.460 3.969 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc3[nH]ccc3c2)CC12CCCC2 294544358 STUNAYBYSSZHLS-QGZVFWFLSA-N 279.343 3.580 30 20 CHED Cc1ccc(CCNc2nc(Cl)c(C#N)s2)cc1 804459655 BNDQJNMKMXCCPM-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)c1ccc(Cl)cc1)C(C)(C)C 807879069 MONNZVHTVSQBPM-CQSZACIVSA-N 291.822 3.782 30 20 CHED C=CCC[C@@H](O)CN1CCCC[C@H]1c1ccc(C)cc1 472574067 MCETVNJPUZPBGH-MSOLQXFVSA-N 273.420 3.849 30 20 CHED C=CCCCCCCNC(=O)[C@@H](C)Sc1ccccn1 805221338 OWGOSQCKRBCINE-CQSZACIVSA-N 292.448 3.815 30 20 CHED C=CCOCCCSCCc1cccc(F)c1F 479588995 XUAMXPCTRBAHSF-UHFFFAOYSA-N 272.360 3.833 30 20 CHED C=CCC[C@H](CC)NCc1oc(CCC)nc1C 293385302 INFJEYRYUNKONH-ZDUSSCGKSA-N 250.386 3.770 30 20 CHED CCC[C@@](C)(CC)C(=O)NCc1cc(C#N)ccc1F 476118180 BJTQMFXHQUGOHF-MRXNPFEDSA-N 276.355 3.530 30 20 CHED C#C[C@H](CC)NCc1csc(-c2ccc(Cl)cc2)n1 809685958 CQKXJWUYCZDYLV-CYBMUJFWSA-N 290.819 3.965 30 20 CHED CCCCCCCCCC(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 398812911 WKQRXEBUMFRDMN-BBWFWOEESA-N 295.467 3.747 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc2oc(C)c(C)c2c1 806432105 GIJDQQIATJLPKS-GFCCVEGCSA-N 270.332 3.583 30 20 CHED C=CCOCCCC(=O)N[C@H](C)[C@H](C)C1CCCCC1 480373969 YWOOHOSCALPVIF-LSDHHAIUSA-N 281.440 3.690 30 20 CHED N#CCCCCSCC[C@@H]1CC1(Cl)Cl 818157289 OBXDURZFNBWQMA-SECBINFHSA-N 252.210 3.997 30 20 CHED Cc1cnc([C@H](NCc2ccc(C#N)c(C)c2)C2CC2)s1 488272197 MCEDHMSSWZXETC-MRXNPFEDSA-N 297.427 3.873 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](C2CCCC2)C1 817466336 JRXNFZBLYYSIAX-INIZCTEOSA-N 261.409 3.609 30 20 CHED C=CCC1(c2nc(-c3ncc(C)s3)no2)CCCC1 562566697 LWMSFFZNGUECNR-UHFFFAOYSA-N 275.377 3.889 30 20 CHED N#Cc1ccc(Cl)cc1NCC[C@@]1(O)C[C@H]2CC[C@H]1C2 488519556 RQKVHFRMTHJJAQ-DETPVDSQSA-N 290.794 3.565 30 20 CHED C=CCN(Cc1cccs1)C[C@@H](O)CCC(C)C 481724897 JESTWYYIGYJHDZ-AWEZNQCLSA-N 267.438 3.533 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1ccc(F)c(Cl)c1 811657919 BGQPAQCIOUEERC-JTQLQIEISA-N 286.803 3.546 30 20 CHED C=CCCCN[C@@H](C)[C@H](OC)c1ccccc1Cl 481390956 KEQHDRLGDFYCPK-WFASDCNBSA-N 267.800 3.972 30 20 CHED C=CCCCN[C@H](C)c1ccc(N2CCCCC2=O)cc1 810132536 PPNCYVXVGURYRJ-OAHLLOKOSA-N 286.419 3.820 30 20 CHED Cc1nc(Nc2cc(Cl)c(N)c(Cl)c2)ccc1C#N 813585531 IGVCYLXJFGFKNS-UHFFFAOYSA-N 293.157 3.894 30 20 CHED C=CCCCCCCCNC(=O)c1ccnc2ccncc12 811590156 RCVVISLGSDMWBE-UHFFFAOYSA-N 297.402 3.886 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](F)C2)CCCCC1 578772207 PZXLXJJCXYHHIE-UONOGXRCSA-N 267.388 3.910 30 20 CHED COc1cc(C#N)cc(OCc2ccc(Cl)cc2C#N)c1 486110825 SDODORACJMQFMI-UHFFFAOYSA-N 298.729 3.671 30 20 CHED COCC(=NNc1ccccc1)c1cccc(Cl)c1F 814684426 SLCXLXKOGGJLQP-UHFFFAOYSA-N 292.741 3.942 30 20 CHED C=CCC1(NC[C@H]2CCC[C@@H](CC)C2)CCOCC1 657633651 UXGUOCNNRPSHNH-CVEARBPZSA-N 265.441 3.918 30 20 CHED C[C@@H]1C[C@@H](C(=O)O)CCC1=NNc1ccc2ccccc2n1 814697474 PTVQEYBXZMUHQO-YPMHNXCESA-N 297.358 3.524 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1 485568232 KCTRHHHBGMTRGQ-AWEZNQCLSA-N 278.783 3.590 30 20 CHED Clc1cncnc1NN=Cc1ccc(C2CCC2)cc1 814909963 UEQBJVHTVCEUNV-UHFFFAOYSA-N 286.766 3.844 30 20 CHED CC#CCCCc1nc(C(F)(F)c2ccc(F)cc2)no1 572919397 LBELTMFWJCABQJ-UHFFFAOYSA-N 294.276 3.695 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@]2(CCN(C)C2)C1 814165428 SJEWZUXKNAMJRE-GOSISDBHSA-N 294.483 3.681 30 20 CHED CCC1CCN(C(=O)Nc2scc(C)c2C#N)CC1 577003887 ZHDOTDRBBXYMPA-UHFFFAOYSA-N 277.393 3.582 30 20 CHED C[C@@H]1C[C@H](C(=O)O)CCC1=NN1CCC(C(C)(C)C)CC1 814913117 HIRWVZFYWRIUAX-CHWSQXEVSA-N 294.439 3.621 30 20 CHED CCOc1cccc(/C=C/c2ncccc2C#N)c1 486077662 OEFZZWLNTDOZPT-CMDGGOBGSA-N 250.301 3.522 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cccc(C3CC3)c2)n1 654968828 NALOWVNNVGFHIN-AWEZNQCLSA-N 282.368 3.819 30 20 CHED COc1cccc(C=NOCc2ccccc2C)c1OC 824206289 SKDHEKIZLJUSGP-UHFFFAOYSA-N 285.343 3.563 30 20 CHED CC(C)C[C@@H](C)OC(=O)Oc1ccc(CC#N)cc1 829736199 FAFASRQZCYIXRG-GFCCVEGCSA-N 261.321 3.703 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccc3oncc3c2)cc1 821032584 VKXFTLUJDDKKML-OQFOIZHKSA-N 292.338 3.790 30 20 CHED CC[C@H](c1ccc(F)cc1)[S@@](=O)CCC(C)(C)C#N 570103515 PLPGPEPQYBJVGN-KUHUBIRLSA-N 281.396 3.965 30 20 CHED C[C@]1(CNc2ccc(Cl)c(C#N)n2)CC1(Cl)Cl 828798162 GTMJHOGPWYYECG-SNVBAGLBSA-N 290.581 3.602 30 20 CHED CC[C@H](NCc1nnc(C2CC2)s1)c1ccc(C#N)cc1 579448294 GOJHEUKCGJWTOT-AWEZNQCLSA-N 298.415 3.528 30 20 CHED N#CCc1cccc(Br)c1OCC1CCC1 577563917 JPZRDJFEIDYULA-UHFFFAOYSA-N 280.165 3.694 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccc(OC(C)(C)C)nc1 495444805 MKCZYXNGBDQRPD-KGLIPLIRSA-N 276.424 3.949 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@H]1C=CCC1 823239816 HUEWGXZHVBKISZ-AWEZNQCLSA-N 256.349 3.645 30 20 CHED C=CCCCCCN[C@@H](CC)c1nnc2n1CCCCC2 661941215 MCNYJZKLONHZIB-HNNXBMFYSA-N 290.455 3.792 30 20 CHED C=C(C)COC(=O)/C=C(/C)c1ccccc1Cl 727577355 CWUDOVYDJBOQAJ-FLIBITNWSA-N 250.725 3.863 30 20 CHED C=C(C)CCc1noc([C@@H]2CCc3cc(F)ccc32)n1 664879015 YTVXGKGFLJNLGA-CQSZACIVSA-N 272.323 3.796 30 20 CHED C=C(C)CNc1cccc(C(=O)c2ccccc2)c1 725797426 HZDQIKNTNQMXPJ-UHFFFAOYSA-N 251.329 3.906 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCCC#N 588150455 UFLGILXKVOJIIL-KGLIPLIRSA-N 250.386 3.545 30 20 CHED O=C1/C(=C/c2ccccc2F)CCOc2ccccc21 728441541 LPOUEQCIYPBEBU-ACCUITESSA-N 268.287 3.875 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C(=O)O)[C@@H](C)CC 903597745 OEYVUYQCOXGNQP-ZFWWWQNUSA-N 267.413 3.554 30 20 CHED C[C@H]1CC[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 580958261 ZPROVJNTMUZKRB-UXIGCNINSA-N 290.794 3.847 30 20 CHED C[C@@H](CC(=O)OCc1ccc(C#N)cc1)c1cccc(F)c1 734906256 MPOZOOKQNWBXHR-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED N#Cc1cccc(C(=O)N2CCCC3(CCCCCC3)C2)n1 589433729 ZTOWCOCPEWHOQR-UHFFFAOYSA-N 297.402 3.530 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1CCCC1(C#N)CCOCC1 499549182 NGBBUTRTVIJJNR-IRXDYDNUSA-N 292.467 3.988 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1CSc2ccccc21 735415247 RBZAGUTVYCNVSP-YRUBURHZSA-N 285.368 3.667 30 20 CHED C=CCCCOC(=O)c1nc(-c2ccccc2)oc1C 735524185 ITAUMDSZXNAYOB-UHFFFAOYSA-N 271.316 3.773 30 20 CHED C=C(Cl)CN[C@H](c1c(F)cccc1F)C(F)(F)F 839546998 PDBYDTBMCCNYRT-SNVBAGLBSA-N 285.643 3.910 30 20 CHED C#CCN(CC)C(=O)N[C@@H](C)c1csc2ccccc12 730068439 MNJCBRQLFWVXBI-LBPRGKRZSA-N 286.400 3.627 30 20 CHED CC(C(=O)N(C)c1cc(Cl)ccc1C#N)=C1CCC1 839296981 FOIHAEUHLRPVQB-UHFFFAOYSA-N 274.751 3.675 30 20 CHED C=CCCCCCN(C)C(=S)NC(C1CC1)C1CC1 739460391 SOVUQLGPQMUCBE-UHFFFAOYSA-N 280.481 3.728 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cc(C)c(OC)c(Cl)c1 834903419 ICJUERMLQKUMGG-GXTWGEPZSA-N 297.826 3.635 30 20 CHED C#CCCCCCC=NNc1nccnc1C(C)C 834978479 UGAZLFVCGCTJDC-UHFFFAOYSA-N 258.369 3.581 30 20 CHED CSC(C)(C)C(=O)N(O)Cc1cccc2ccccc12 901371286 QRUFDWRYMFNUSG-UHFFFAOYSA-N 289.400 3.699 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1 734978845 DXCBKRKUGHQQBZ-UITAMQMPSA-N 285.274 3.938 30 20 CHED C=CCOc1ccccc1CNCc1ccsc1 62103896 DTWJVRWRXZIJFS-UHFFFAOYSA-N 259.374 3.603 30 20 CHED CC[C@H](NCC[C@@H]1CCCCO1)c1cccc(C#N)c1 902944301 FFLWIGKKISWVTR-IRXDYDNUSA-N 272.392 3.558 30 20 CHED CC(CC1CCOCC1)=NNc1ccc(F)c(F)c1 901318910 YYKMGHASPAIKKM-UHFFFAOYSA-N 268.307 3.569 30 20 CHED CCC(CC)NN=C1CCC2(CC1)C(=O)Nc1ccccc12 734366060 CQNKUUAVSDFLKE-UHFFFAOYSA-N 299.418 3.585 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cccc(F)c1 739424760 KPXRQIWAMUHOSN-VURMDHGXSA-N 285.274 3.938 30 20 CHED CCN(C(=O)C#CC1CC1)[C@H](C)c1cc2ccccc2o1 837364518 ZVUYUKZVYBCFOU-CYBMUJFWSA-N 281.355 3.756 30 20 CHED CCCNN=Cc1cc(C)n(C2CCCCC2)c1C 915965407 OGSCQCIVDOQYBK-UHFFFAOYSA-N 261.413 3.944 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)CCCCCC#N 590507662 HEASIMISINFHKE-UHFFFAOYSA-N 272.392 3.820 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]([C@H]2CCCNC2)C1 831722066 RMSONBMAMVIMJA-IRXDYDNUSA-N 294.483 3.585 30 20 CHED CCOc1ccc(NC[C@H](C#N)CCC#N)cc1Cl 732916951 BIUCODUHPNBPJL-NSHDSACASA-N 277.755 3.594 30 20 CHED CC(F)(F)CCC(=O)N(c1ccc(C#N)cc1)C1CCC1 598885064 KJZZSCHZXFCPSK-UHFFFAOYSA-N 292.329 3.879 30 20 CHED Cc1ccc(-c2csc(COC(=O)C#CC3CC3)n2)cc1 838366607 ZNZNGEDNGRUYJQ-UHFFFAOYSA-N 297.379 3.575 30 20 CHED CC1(C)CCCC1=NNc1nncc2ccccc12 749858256 KXGPSOKZMWIVFF-UHFFFAOYSA-N 254.337 3.608 30 20 CHED COCCON=Cc1cc(Cl)ccc1OC1CCCC1 748790059 ZHSKPRFNXIGREY-UHFFFAOYSA-N 297.782 3.658 30 20 CHED CC[C@@H](C#N)c1ccc(-c2ccc(OC)nc2)cc1 592984435 BQLOKOCFIMFNSX-LBPRGKRZSA-N 252.317 3.774 30 20 CHED N#CC[C@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 596329846 GZCMTSLNRCLHEN-LLVKDONJSA-N 293.292 3.707 30 20 CHED CC(C)CON=Cc1cnc(-c2ccccc2)s1 749631389 LWETYKQIGMJAIN-UHFFFAOYSA-N 260.362 3.817 30 20 CHED C=C(CNc1cnc2ccccc2n1)c1ccccc1 673461339 CMDCXYCVPGWMQX-UHFFFAOYSA-N 261.328 3.755 30 20 CHED Cc1ccc(CCN[C@H]2CCC[C@@H](C#N)C2)cc1C 595073289 RLNTVASZZXDVBZ-SJORKVTESA-N 256.393 3.518 30 20 CHED N#Cc1ccsc1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 598799937 KALKAGKOEZLFEI-VXGBXAGGSA-N 274.389 3.775 30 20 CHED C=C(Cl)CSCCCOc1ccc([N+](=O)[O-])cc1 917954538 POKZBCNKKPRBCX-UHFFFAOYSA-N 287.768 3.849 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NOCc1ccccc1 915959617 GUDKWUBRBCWAHY-UHFFFAOYSA-N 291.782 3.748 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1cccc(C#N)c1 747642092 JUSYNMKONHUUGE-UHFFFAOYSA-N 289.260 3.812 30 20 CHED Cc1ccsc1C(=O)/C=C/c1c(C2CC2)cnn1C 849246418 ZCVHLPJMFRURNM-AATRIKPKSA-N 272.373 3.564 30 20 CHED C=CCOc1ccc(CNCCOC2CCC2)cc1Cl 742386613 JMNWYHATNYEPPJ-UHFFFAOYSA-N 295.810 3.564 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)C2CCCCC2)c1 741466141 FWICUIFQDMJTNO-UEMWTREESA-N 261.365 3.789 30 20 CHED C=CCCCCCCN[C@@H](C)c1cc2n(n1)CCC2 840749490 KYDHKKBUATYVLH-AWEZNQCLSA-N 261.413 3.616 30 20 CHED CC1(C)C[C@]1(CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 596115658 DBBGRBGLVIQEOB-KYJSFNMBSA-N 268.404 3.636 30 20 CHED COc1ccc([C@H](C)C(C)=NOCc2cccnc2)cc1 746588809 SUBVDOOAZYATQO-CYBMUJFWSA-N 284.359 3.786 30 20 CHED Cc1ccccc1OCCCOc1cccc(OCC#N)c1 842108755 RVTHHQJRXUWHAP-UHFFFAOYSA-N 297.354 3.745 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1ccccc1 915976773 YYAKCAACZCCIDT-UHFFFAOYSA-N 275.695 3.694 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H]([C@H]2CCCCO2)C1 595784876 CEELIBHWNWTDEU-DLBZAZTESA-N 292.467 3.988 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1(c2cccc(C)c2)CCCC1 594094943 RATOTOOTNVWTKN-MRXNPFEDSA-N 284.403 3.567 30 20 CHED COc1ccccc1C1(C/N=C/c2ccccc2O)CC1 749450086 BRIDJWRRYWGMDD-XDHOZWIPSA-N 281.355 3.552 30 20 CHED C=CCCCNc1cc(Cl)cc(C(=O)OC)c1 740874214 IPCXEHPZUDPVPW-UHFFFAOYSA-N 253.729 3.505 30 20 CHED N#Cc1csc(/C=C2/CSc3ccccc3C2=O)c1 748438764 FKEITLHTWXJFOD-WDZFZDKYSA-N 283.377 3.992 30 20 CHED Cc1cc(C)cc(OCCSc2cccnc2C#N)c1 594452956 YEQRWJCLJZRDAQ-UHFFFAOYSA-N 284.384 3.741 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(O)c(C)cc1C 680822811 JPQSOJLTBNDBJR-UHFFFAOYSA-N 291.391 3.711 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H](CC)C2)c1 741056618 IDKOQOXTEJXHBV-GDBMZVCRSA-N 270.376 3.758 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cccc(C)c1F 748920798 ZUVZYDHCDXPHNF-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC(C)(C)C#CC(=O)NCc1cccc2ccsc12 846289593 JIDMQYLYVCJKLJ-UHFFFAOYSA-N 271.385 3.567 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 593456827 GPPIWHCXDRNUGC-JTQLQIEISA-N 289.360 3.508 30 20 CHED CCOc1ccc(C(C)=NNCc2ccccc2)cc1 916344109 NALAYIKXZSDWET-UHFFFAOYSA-N 268.360 3.599 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O[C@H]3CCOC3)cc2)o1 849244240 WNUURULVLVKAIL-SBSDFTTDSA-N 298.338 3.652 30 20 CHED C=C(C)CONC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 846536054 QNPULELGMDNUOP-HZPDHXFCSA-N 297.439 3.766 30 20 CHED CNC(=S)N(C)N=C1CCCC[C@@H]1C1CCCCC1 841647527 ZCAFZYPGWCLLMR-CYBMUJFWSA-N 281.469 3.549 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H](C)c2ccccc2)c1 920943904 DPERTFFJJXRRAL-FDIDITGRSA-N 269.344 3.623 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc3c(c2)CCN3C)co1 844553855 ZDWGBVGPOWPWHC-FNORWQNLSA-N 296.370 3.686 30 20 CHED CSCC1(CC(=O)OCC2(C#N)CCCCC2)CC1 845508132 ICXPGLFFALCWIS-UHFFFAOYSA-N 281.421 3.537 30 20 CHED C=CCCCN1CCOc2c(Br)cccc2C1 684208218 DGGRYKTUGKKXBG-UHFFFAOYSA-N 296.208 3.610 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC(C)(C)c2ccccc21 682383231 PBYXHQCJICQPLV-QGZVFWFLSA-N 257.377 3.913 30 20 CHED CC#CCOC(=O)CCCc1csc2ccccc12 756655878 XZKISWBNTDTSKX-UHFFFAOYSA-N 272.369 3.791 30 20 CHED Cc1ccc(C)c(NN=C2C(=O)Nc3cccc(Cl)c32)c1 750930239 IWFWJOJMRFGUNN-UHFFFAOYSA-N 299.761 3.725 30 20 CHED C#CCCCC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 758061556 DPUZUEZZVUZJET-GJZGRUSLSA-N 263.425 3.901 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(Cl)cs1 758657194 BUWGBSNHCIRONF-UHFFFAOYSA-N 284.812 3.994 30 20 CHED CCCCCCCCNC(=O)NCc1ccccc1O 754866856 XKVVYBKNVFVDCX-UHFFFAOYSA-N 278.396 3.552 30 20 CHED C#CCCOC(=O)Oc1ccc(Cl)cc1C(F)(F)F 859102621 NCZPNTNGBNGTQN-UHFFFAOYSA-N 292.640 3.898 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@H](CC#N)c1ccccc1 851205434 ZJRBFCALADHXET-HOCLYGCPSA-N 298.386 3.946 30 20 CHED C=CCC1(NC[C@@H](O)c2ccc(F)c(F)c2)CCCCC1 859746668 WACSIERZOMLCJC-MRXNPFEDSA-N 295.373 3.867 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1cccc(Br)c1 758374902 ZBHJFBSPFGSGCS-RKDXNWHRSA-N 253.143 3.503 30 20 CHED N#Cc1ccccc1C=NNc1nccc2sccc12 755650672 MLOMPEVIPPKDDX-UHFFFAOYSA-N 278.340 3.614 30 20 CHED C[C@H]1c2cccn2CCN1CCCCC1(C#N)CCC1 929191925 QYSTYZSWFRQPTD-HNNXBMFYSA-N 271.408 3.729 30 20 CHED C(=Nn1cnc2ccccc21)[C@H]1C[C@H]1c1ccccc1 755611843 KCKQVTCAASXSQY-CABCVRRESA-N 261.328 3.674 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(CN2CCCC2=O)cc1 925744209 HTSUBEVLXOSSRM-AWEZNQCLSA-N 299.418 3.549 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 853783058 FWPQENZCPZWOCF-WCQGTBRESA-N 275.845 3.556 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1(c2cccc(F)c2)CC1 851209223 JNLDJFHPLSPJJR-GFCCVEGCSA-N 289.350 3.729 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC(C)(C)C#N 928386710 TUFBGWRJJUOOJM-ZBFHGGJFSA-N 284.403 3.721 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 929532416 RAQFCCIAXIGFFJ-WMLDXEAASA-N 287.403 3.961 30 20 CHED C=CCCCCCCNCc1cc(C(F)(F)F)nn1C 850298248 UXMOZXZWBHABDY-UHFFFAOYSA-N 289.345 3.665 30 20 CHED N#CCCCCOC(=O)c1cc(F)cc(C(F)(F)F)c1 756284985 BVWBFUNDCBGMHR-UHFFFAOYSA-N 289.228 3.695 30 20 CHED C=C[C@](C)(CCOC)COC(=O)/C=C(\C)c1cccs1 857020713 IXTXCTYDYHEQBN-SICOMBFOSA-N 294.416 3.923 30 20 CHED COc1ccc2oc(C=NN3CCCC[C@@H]3C)cc2c1 853379760 MIDZWKJMVJNFKL-LBPRGKRZSA-N 272.348 3.650 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ncccc1F 851109827 SKIVNQOZWQVKNE-MBNYWOFBSA-N 277.339 3.758 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2cc(F)cc(F)c2)c1 755600136 YWNUZLPCQAHJQR-DUXPYHPUSA-N 290.265 3.575 30 20 CHED COc1ccc(NN=Cc2cc(F)c(F)cc2F)cc1 750921439 JOWQGNPQLYVZNG-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C=C1CCN(C(=O)c2ccc(Cl)c3occc23)CC1 932040131 TUGAIKRHGNXQJP-UHFFFAOYSA-N 275.735 3.878 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 936034485 XIBDKJRJDQLFFL-LBPRGKRZSA-N 276.336 3.752 30 20 CHED C#CCCCOc1ccc(Oc2nccs2)cc1 766748507 CRAVOEGIEWAZRX-UHFFFAOYSA-N 259.330 3.728 30 20 CHED CC#CCCOC(=O)CCc1ccc(-c2ccccc2)[nH]1 765470590 UZYBKXYUKGFZAY-UHFFFAOYSA-N 281.355 3.571 30 20 CHED C=CCC[C@H](O)CN1CCC(c2cc3ccccc3[nH]2)CC1 760828209 HQCCMCYJOCUBKH-KRWDZBQOSA-N 298.430 3.674 30 20 CHED C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@H](C#N)C1 932159391 ZHDYTCULAABYGR-WDEREUQCSA-N 266.747 3.776 30 20 CHED C#CCCCCc1nc(-c2ccc(CSC)cc2)no1 761776303 JWEQANATHKLMRS-UHFFFAOYSA-N 286.400 3.946 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc2ccncc12 934487607 RZVPTGXWRTUXGI-GFCCVEGCSA-N 254.333 3.776 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1nnc(-c2ccccc2)n1C 766010868 PATFJIHBWSOHLI-GFCCVEGCSA-N 297.406 3.706 30 20 CHED C[C@@H](CCC#N)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 932191762 OLHLSKVGBSHRAK-QWHCGFSZSA-N 289.448 3.503 30 20 CHED CCOCCC1(C/N=C/c2ccccc2O)CCCC1 760209930 AKRPFXPFSMHAQA-QGOAFFKASA-N 275.392 3.798 30 20 CHED C=CCOc1cccc(NC(=O)C(F)=C2CCCC2)c1 763031294 TUFMUJLKGRBPKE-UHFFFAOYSA-N 275.323 3.988 30 20 CHED Cc1cc(CNCc2ccc(OCC#N)cc2)c(C)s1 760669716 MFKVVFNOLQGQKE-UHFFFAOYSA-N 286.400 3.557 30 20 CHED Cc1cc(C)c2cc(C(=O)OCC3(C#N)CCC3)[nH]c2c1 768096697 OTJXEVAOYNAVCB-UHFFFAOYSA-N 282.343 3.635 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1nc(Cl)ccc1F 768820143 PZTLEMIUDYGUJL-UHFFFAOYSA-N 298.745 3.751 30 20 CHED CCc1ccc([C@H](C)C(=O)Oc2ccc(C#N)cc2F)cc1 769740491 UIHXAAXSQOEOLC-LBPRGKRZSA-N 297.329 3.969 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C(F)(F)F)C1 761048673 GFXNYHNHVHEOLJ-GWCFXTLKSA-N 268.282 3.503 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1 1118829024 GCLGYEWLMJYGAA-OAHLLOKOSA-N 294.398 3.972 30 20 CHED C=C[C@@H](COC)NCc1ccc(F)c(-c2cccs2)c1 1116620327 IQUBLUFZGUEAKP-ZDUSSCGKSA-N 291.391 3.845 30 20 CHED Cc1ccc(F)cc1C=NNCCCOc1ccccc1 777885442 HGIZRWVQZACUHL-UHFFFAOYSA-N 286.350 3.527 30 20 CHED C[C@H](CCC#N)CN1CC[C@@H](c2c(F)cccc2F)C1 877399251 LLGKRYJSLVFUMJ-CHWSQXEVSA-N 278.346 3.694 30 20 CHED C#CCCCCCC(=O)Nc1ccc2ncccc2c1 779851511 YJVZXZLGXHUMJQ-UHFFFAOYSA-N 266.344 3.757 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)[C@H]1CCCOC1 779771922 DYTOFRUNMISRNH-NSHDSACASA-N 284.306 3.502 30 20 CHED Cc1ccccc1COC(=O)CC1(C#N)CCCCC1 1118479598 RQPMKDYKUMEBFH-UHFFFAOYSA-N 271.360 3.902 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc(C#N)c(F)c1 776726897 PTYZLPVSQOBTFX-SNAWJCMRSA-N 271.316 3.963 30 20 CHED CCC1(CC)CCN(C(=O)Nc2cc(C#N)ccc2F)C1 888360141 ANQPARYLBBOTFZ-UHFFFAOYSA-N 289.354 3.741 30 20 CHED Fc1ccc(C2=CCC(=NN=c3cc[nH]cc3)CC2)cc1 779807389 UYQKAYKNJPYMQD-UHFFFAOYSA-N 281.334 3.678 30 20 CHED CC#CCN(C)C(=O)Nc1cc(Cl)cc(Cl)c1F 880890406 JDLRSHONKILVRV-UHFFFAOYSA-N 289.137 3.620 30 20 CHED Cc1cccnc1NN=C1CCC(C)(N2CCCC2)CC1 884454744 VJGPGWXTXCCEJU-UHFFFAOYSA-N 286.423 3.586 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(F)c(Cl)c1 780252155 ZNMGDCPITOKPHD-GFCCVEGCSA-N 298.789 3.750 30 20 CHED C=CCN(C(=O)C1(Cc2ccc(F)cc2)CC1)C(C)C 782266482 MCLGCFBBQSEKPU-UHFFFAOYSA-N 275.367 3.571 30 20 CHED C#CC(C)(C)N(C)Cc1cc(Cl)cc2cccnc12 787996989 DOWSPHIUOJEEFU-UHFFFAOYSA-N 272.779 3.732 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)cc1F 1125801198 IFJCQTRJHXGGBG-XJKSGUPXSA-N 288.366 3.786 30 20 CHED Cc1cc(COC(=O)/C=C/c2ccccc2F)ccc1C#N 782346847 FDKLLNZZAMDWHY-CMDGGOBGSA-N 295.313 3.762 30 20 CHED CCc1ccccc1COC(=O)c1cccc(CC#N)c1 782256236 LDBBCRBEJPIALN-UHFFFAOYSA-N 279.339 3.672 30 20 CHED CC(C)(C)C[S@@](=O)CCCCC1(C#N)CCC1 899290077 YKFIRRKZNDHZRU-KRWDZBQOSA-N 255.427 3.645 30 20 CHED COc1cccc(C(=O)/C=C/c2cnn(C3CCC3)c2)c1 899336066 OZQXVFYJNZITRP-CMDGGOBGSA-N 282.343 3.513 30 20 CHED O=C(/C=C/c1cccc(Cl)c1F)c1cncs1 787170674 ZKASDJAJCDXCBH-SNAWJCMRSA-N 267.712 3.832 30 20 CHED C#CCCCCCC(=O)NCc1ncc(-c2ccccc2)o1 780361634 KKLDNTKYBWQNBE-UHFFFAOYSA-N 296.370 3.542 30 20 CHED C#Cc1cccc(NCc2csc(CCC)n2)c1 86197563 VSRITPMYDABILI-UHFFFAOYSA-N 256.374 3.689 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccccc1O[C@H](C)C#N 780175802 HGWAWDBBBDRLNA-CHWSQXEVSA-N 288.391 3.988 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)ccn1 797103887 ADDXXBUUBVNHFD-USXIJHARSA-N 298.386 3.603 30 20 CHED CC(=NOC[C@H]1CCOC1)[C@H](C)c1ccc(Cl)cc1 794536415 WACHYEXRUQRPBI-AAEUAGOBSA-N 281.783 3.873 30 20 CHED C#Cc1ccc(C(=O)Nc2cc(C)c(Cl)c(C)c2)nc1 799451545 YZKDJQVJBZUYRT-UHFFFAOYSA-N 284.746 3.585 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)c(C)o2)cc1F 799896228 HNZCQISKDBEUES-XQRVVYSFSA-N 274.291 3.940 30 20 CHED CC[C@H](C)CON=CCSCc1ccccc1 793147035 XVQXFBMCPSXYOS-ZDUSSCGKSA-N 251.395 3.968 30 20 CHED Oc1ccccc1/C=N\[C@H]1C[C@H](c2ccccc2)C1 797785026 RDMMWKXMPCUKCW-GMSGALOVSA-N 251.329 3.757 30 20 CHED COc1cccc(C=NNc2cc(F)cc(F)c2)c1F 799876005 IOSJMABJANQVIK-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ncc(Br)cc1F 187345517 VYNGVCGHLPJEFC-BDAKNGLRSA-N 287.176 3.598 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)c(F)c1 187518769 WSCCHQOHHNSJKJ-UHFFFAOYSA-N 280.318 3.509 30 20 CHED C[C@H]1CC[C@H]1Nc1ccc(OC(F)(F)F)c(C#N)c1 799737912 QPCDTGGODLDYOW-GZMMTYOYSA-N 270.254 3.667 30 20 CHED Cc1ccc(-c2nc(-c3ccsc3)no2)cc1C#N 799760496 JCUYJSPIYGILGO-UHFFFAOYSA-N 267.313 3.645 30 20 CHED Fc1cccnc1NN=C1CC[C@H]1c1ccccc1 794990239 KASFJRWJMDKGKS-LBPRGKRZSA-N 255.296 3.566 30 20 CHED CC(=NNCCC(F)(F)F)c1ccccc1Cl 794552809 TWAUFBGVYIHTMN-UHFFFAOYSA-N 264.678 3.606 30 20 CHED CSCCON=Cc1cnc(-c2ccccc2)s1 794576155 FUCOVLQNHYTBMD-UHFFFAOYSA-N 278.402 3.524 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccnn1C(C)C)CO2 794936295 DEMFQWPBJAKIFW-ZROIWOOFSA-N 296.370 3.740 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNc1ncncc1Cl 797403375 KFSSQTPRRUKLGF-ZJUUUORDSA-N 266.776 3.744 30 20 CHED Cc1ccc(C(=O)Nc2cc3[nH]ccc3cc2C)cc1C#N 799725327 CQMYASZNXKGQIN-UHFFFAOYSA-N 289.338 3.909 30 20 CHED C[C@H]1CSCC1=NOCc1ccc(C(F)(F)F)cc1 794921613 BJKSZTMGPWYRNY-VIFPVBQESA-N 289.322 3.961 30 20 CHED CCC(CC)(CNC(=O)Nc1cccc(C#N)c1)SC 743068044 AAAAZOBYJPRGMO-UHFFFAOYSA-N 291.420 3.602 30 20 CHED COCc1csc(CNc2cc(C#N)ccc2C)c1 594946194 LZFXEGHBLFRFRH-UHFFFAOYSA-N 272.373 3.687 30 20 CHED CC(C)CC(C)(C)CNC(=O)C1(C#N)CCCCC1 81618579 BFMQOFLGUJNOPC-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C[C@@H](CC#N)NC(=O)c1cc2cccc(Cl)c2s1 1145056029 LBFRMDWATOVPSJ-QMMMGPOBSA-N 278.764 3.587 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)cc(Cl)n1 762474527 WNKGTVCZLMMBIU-VIFPVBQESA-N 287.190 3.863 30 20 CHED C=CCCCCCN(C)Cc1ccc(CN(C)C)cc1 769447863 ZBRUEHMLJAEAAQ-UHFFFAOYSA-N 274.452 3.926 30 20 CHED C#CCOc1ccccc1CN[C@H](C)CSC(C)(C)C 772988516 QXFGMDFZEQFIJX-CQSZACIVSA-N 291.460 3.708 30 20 CHED CCN(Cc1ccc2ccccc2c1)c1cc(C#N)cnn1 1162780925 ICYRSHVEZNBAFD-UHFFFAOYSA-N 288.354 3.528 30 20 CHED CCN(CC#N)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 1318131685 CQGQPHUOKILHRJ-UHFFFAOYSA-N 284.403 3.604 30 20 CHED C[C@H](OC(=O)C1(C(C)(F)F)CC1)c1cccc(C#N)c1 1327240583 OPQVTACYKBKJCL-JTQLQIEISA-N 279.286 3.598 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)c1ccc(F)cc1F 1322190159 ROUIVSXEHNMFHF-AAEUAGOBSA-N 279.330 3.635 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1csc(C#N)c1 1325182123 ZLPYRLIJCSKVAJ-SMDDNHRTSA-N 276.405 3.661 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1occ(C)c1C 1321861716 VFLYLCITKAEZSI-UHFFFAOYSA-N 296.370 3.821 30 20 CHED C=C(CNC(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1ccccc1 1246470770 KJTKREZIXQOUKQ-ZWKOTPCHSA-N 298.430 3.968 30 20 CHED Clc1cccnc1NN=Cc1ccc2c(c1)CCC2 1322141823 SGDLDQAQYJEWEE-UHFFFAOYSA-N 271.751 3.670 30 20 CHED C[C@H]1CCC[C@@H](OCc2nnc(-c3cccc(C#N)c3)o2)C1 1324183189 LQGZOEJKHWVEPW-SWLSCSKDSA-N 297.358 3.704 30 20 CHED CC1(C)CC(=NNc2nncc(N)c2Cl)CC(C)(C)C1 1320771069 PMSPSNYXNQPRIU-UHFFFAOYSA-N 295.818 3.716 30 20 CHED CCc1c(C)sc(NC(=O)c2occ(C)c2C)c1C#N 1324104184 CKLVYGSCYPYNQC-UHFFFAOYSA-N 288.372 3.953 30 20 CHED COc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)c(C)c1 1322325156 ITVWWIYWLAPIQJ-UHFFFAOYSA-N 291.310 3.592 30 20 CHED C=C[C@H](C)ONC(=O)Nc1c(C)cc(Cl)cc1C 1332537951 IEUIXLOPTASQJZ-JTQLQIEISA-N 268.744 3.584 30 20 CHED COc1cccc2cc(CNc3nc(C)ccc3C#N)oc12 1253891041 FSNVCAMFYBJIMT-UHFFFAOYSA-N 293.326 3.629 30 20 CHED Cc1c(C#N)cccc1-c1nnc(CC2CCCC2)o1 1261432713 ZSNQXFZXZUEBPA-UHFFFAOYSA-N 267.332 3.649 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[C@H](SC)C1 1341797828 XNBWLOLMQUAVCZ-MJBXVCDLSA-N 284.469 3.657 30 20 CHED CC[C@@H](C)[C@@H](C)c1nnc(COc2ccc(C#N)cc2)o1 1261426643 XHQLMVIIIIXSNB-VXGBXAGGSA-N 285.347 3.670 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)CCCCc2ccccc2)C1 1342731428 XDSNOEXGNYEBJB-HZPDHXFCSA-N 271.360 3.635 30 20 CHED Cc1cnc(/C=C2\COc3c(C)ccc(C)c3C2=O)s1 1347925774 BQDJSOJMLFRESK-WUXMJOGZSA-N 285.368 3.727 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)C#CC(C)(C)C 1344527070 BXQQHIYVBOQZIN-UHFFFAOYSA-N 263.768 3.945 30 20 CHED C=CCC[C@H](OC(=O)c1nncc2ccccc12)C1CC1 1358096521 HMPJHSNPZRCMPV-HNNXBMFYSA-N 282.343 3.531 30 20 CHED CSc1ccccc1N(C)C(=O)c1cc(C#N)ccc1C 1354689857 MNGXSTBMJWRQOU-UHFFFAOYSA-N 296.395 3.865 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(CC)[C@@H](C#N)CC 1289299021 RZWRYGOHSDXHHJ-ZIAGYGMSSA-N 252.402 3.599 30 20 CHED CCn1c([C@H](C)CCC#N)nnc1N(C)CCC(C)(C)C 1356545024 XVNWFFPPEJCUHF-CYBMUJFWSA-N 291.443 3.578 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(C)CC1CCCC1 1286620211 HLBUCHWZMVGVFW-UHFFFAOYSA-N 296.846 3.780 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2C2CCCC2)c1F 219518242 STVYZHRYAHWZJE-MRXNPFEDSA-N 272.367 3.852 30 20 CHED N#CCc1cccc(NC(=O)c2ccc3c(c2)CCC=C3)c1 1526250186 WGYQIJOFGCQOLV-UHFFFAOYSA-N 288.350 3.964 30 20 CHED Cc1cccc(C2(C(=O)Nc3cc(C#N)ccc3F)CC2)c1 1528041112 UFQAYDBCKGUPEE-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C=C(Cl)CN(Cc1ccccc1)CC1CCOCC1 111693407 UXJPKJYACSANJI-UHFFFAOYSA-N 279.811 3.668 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(OCC#N)cc1 221671844 AATVMBBKUZKGDQ-DVOMOZLQSA-N 258.365 3.826 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 1467150680 KWUSMXNXRRZNCK-GFCCVEGCSA-N 289.354 3.597 30 20 CHED CCN(C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H](C)C#N 1533560741 QLVRKQGGGOORJF-TUAOUCFPSA-N 290.329 3.506 30 20 CHED CC1(C)CCC[C@H]1NN=C1CCC[C@@H](CCCC(=O)O)C1 1604531968 KNXHPRADVUOMER-DZGCQCFKSA-N 294.439 3.956 30 20 CHED C=C[C@@H](C(=O)NC[C@H]1CCCC(F)(F)C1)c1ccccc1 1548701222 ODKWMNBPODDFAT-DZGCQCFKSA-N 293.357 3.898 30 20 CHED Cc1cc(Cl)cc(CNc2n[nH]c(C3CC3)c2C#N)c1 1474173811 ZWHDEECNELRNOT-UHFFFAOYSA-N 286.766 3.733 30 20 CHED CN(c1ncccc1C#N)[C@H]1CCC[C@@H]1c1ccccc1 1472802928 OGCLRVPCUKWDTA-SJORKVTESA-N 277.371 3.726 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 227688445 FLZUPKDLMNOXFQ-UFBFGSQYSA-N 298.173 3.807 30 20 CHED COc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2C)cc1C#N 1624700294 SSIXRVKASBWDPY-OLZOCXBDSA-N 286.375 3.722 30 20 CHED N#Cc1ccccc1OC[C@H]1CCC2(CCCCC2)O1 228019546 JIRVWOZTLXJCIT-OAHLLOKOSA-N 271.360 3.819 30 20 CHED C#CCCCCC(=O)NCc1ccc(C(F)(F)F)cc1 119524931 BNLJMVHANACENB-UHFFFAOYSA-N 283.293 3.515 30 20 CHED CC(C)c1ccc(Nc2ncc(C#N)cc2F)cc1 1639188933 QTLCAYVHMWRLAP-UHFFFAOYSA-N 255.296 3.959 30 20 CHED C[C@H](Nc1nc(Cl)cs1)c1cccc(C#N)c1 1640396196 DNRDMVLCSAVCCY-QMMMGPOBSA-N 263.753 3.841 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CCC[C@H](C)[C@H]2C)n1 1639855650 RKHZZEVLSBLAGY-LNSITVRQSA-N 257.381 3.746 30 20 CHED C=C(Br)CN1CCCc2ccc(F)c(C)c21 1643462201 DVZNLXFTHZZZEW-UHFFFAOYSA-N 284.172 3.795 30 20 CHED CC(C)(C)[C@@H]1CCCN(CCOc2ccccc2C#N)C1 1645418082 UGIGUAMCOAMWOL-MRXNPFEDSA-N 286.419 3.695 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1[N+](=O)[O-] 5129809 XQTNYUNRHPAQJK-WEVVVXLNSA-N 285.274 3.938 30 20 CHED CN(CC1CC1)c1c(C#N)cnc2c(Cl)cccc12 1651399405 DTIZQDLQXSNLGL-UHFFFAOYSA-N 271.751 3.606 30 20 CHED N#Cc1cnc(NC2(Cc3ccccc3)CCC2)c(F)c1 1655395266 FKFKYAJSJOUSTG-UHFFFAOYSA-N 281.334 3.670 30 20 CHED Cc1nc(N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)ccc1C#N 1655559227 NASSXJDDWCFMBF-UONOGXRCSA-N 287.407 3.656 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@](C)(c2ccccc2)C1 1657392605 OHGCUMULEKFPQE-WMZOPIPTSA-N 270.420 3.980 30 20 CHED CN(c1cccc(C#N)n1)[C@@H]1CCC[C@H]1C(C)(C)C 1651158734 YPLMSAAENUFSOE-ZIAGYGMSSA-N 257.381 3.604 30 20 CHED C=CCCCCCSc1ncc(C(=O)O)s1 1588799965 SJPKOYZMJKRMFE-UHFFFAOYSA-N 257.380 3.680 30 20 CHED C[C@@H]1CCC[C@@H](CN[C@H]2CCc3cc(C#N)ccc32)C1 1659674155 ZPOIMEPCDDNTOI-SIIHOXLZSA-N 268.404 3.961 30 20 CHED CCCC[C@H](CCC)CNc1ccc(C(=O)O)nc1C#N 1595632760 QBTRNISGMSHNHO-LBPRGKRZSA-N 289.379 3.670 30 20 CHED C=CC[C@@H](CC(C)C)C(=O)Nc1ccccc1C(=O)O 1776152025 RQBHXMRDEJYDBE-LBPRGKRZSA-N 275.348 3.562 30 20 CHED C=CCC(C)(C)CC(=O)N[C@H](CC(=O)O)C1CCCCC1 1776150791 JMNBLKWFVMUSBJ-CQSZACIVSA-N 295.423 3.519 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@H]2CC3CCC2CC3)C1 1776153396 JBDRJXGAYRXYBF-IOTAOYMUSA-N 291.435 3.556 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC[C@H]2CCC[C@H](C)C2)C1 1776153271 ZBRIXLGKHQGTAO-JZXOWHBKSA-N 293.451 3.946 30 20 CHED CC(C)c1cccc(C(=O)/C=C\c2ccc(C(=O)O)nc2)c1 1776375506 VOWYRUIXUXTZMS-CLFYSBASSA-N 295.338 3.799 30 20 CHED Cc1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)cc1F 1777433878 QGCUZHXQZBUDPF-HYXAFXHYSA-N 290.315 3.790 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccccc1C(F)F 1776031855 AKTXGVIPDMGGIU-UHFFFAOYSA-N 290.269 3.768 30 20 CHED N#Cc1ccc(OC(=O)c2cc3ccccc3o2)cc1 5576860 ZQSUVTHFTIIWAM-UHFFFAOYSA-N 263.252 3.524 30 20 CHED Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)c(Cl)c1 15122417 HSUIVLFYKFSQAW-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C)c(Cl)c1 16212303 FETBGWQVHPGWPW-UHFFFAOYSA-N 254.786 3.511 30 20 CHED COc1ccc(/C=C\C(=O)c2cccs2)cc1C 206401329 JDLYJUVDRRKAFS-ALCCZGGFSA-N 258.342 3.961 30 20 CHED C=CCc1cc(CN(CC)CC(=C)C)cc(OC)c1O 158995577 BUBRMGDTWVSRKJ-UHFFFAOYSA-N 275.392 3.527 30 20 CHED C=C(C)COCCNC1c2ccccc2-c2ccccc21 166253855 GJUGLFWXNUERKV-UHFFFAOYSA-N 279.383 3.939 30 20 CHED N#CC1(C(=O)NCC2(Cc3ccccc3)CCC2)CCCC1 152410683 HNFYSZHHBZXYOQ-UHFFFAOYSA-N 296.414 3.600 30 20 CHED N#CCC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 153525646 ARFYGCLCPNYYMQ-GOSISDBHSA-N 292.382 3.780 30 20 CHED Cc1cc(/C(N)=N/OCCCCC(F)(F)F)ccc1F 154264905 MDMMCEZQVHIANB-UHFFFAOYSA-N 292.276 3.504 30 20 CHED C=C(C)CNC(=O)Nc1cccc(CSCC)c1 157481900 JFHHVZMYAAZMIF-UHFFFAOYSA-N 264.394 3.637 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ccccc1-c1cccs1 154390852 BDBGMJBJHDVGQH-NSHDSACASA-N 285.372 3.839 30 20 CHED CCc1nnc(N[C@@H](C)C[C@@H](C)CC)c(C#N)c1CC 124996127 BEMYEBOTDCTUPV-RYUDHWBXSA-N 274.412 3.710 30 20 CHED Cc1ccncc1[C@H](C)Nc1nc(Cl)c(C#N)s1 804589965 ADQYUCWYVOGHPB-QMMMGPOBSA-N 278.768 3.545 30 20 CHED C#Cc1cccc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 825226541 IYHFOLPWEUQWOE-LSDHHAIUSA-N 281.321 3.879 30 20 CHED N#CCOc1cccc(CNCc2cscc2Cl)c1 1253313558 YRLGGCUYOZHSNP-UHFFFAOYSA-N 292.791 3.594 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)[C@@H]1C[C@H]2CC[C@H]1C2 251458531 CMIBBLBKTLHAMH-CYDGBPFRSA-N 258.340 3.934 30 20 CHED C=C(C)COCCNC1CC(c2ccc(Cl)cc2)C1 154256641 BZUBUSLNACWSFU-UHFFFAOYSA-N 279.811 3.768 30 20 CHED CCCC[C@@H](CCC)Nc1cc(C#N)nc(CC)n1 308383721 SBLZUDRELRENJL-GFCCVEGCSA-N 260.385 3.681 30 20 CHED C=CCOCCNC(c1ccccc1)c1ccccc1 312583032 MVEWQFGUOCVHKK-UHFFFAOYSA-N 267.372 3.568 30 20 CHED C[C@H](CC(=O)Nc1cccc(CC#N)c1)C(C)(C)C 313468445 QTGSBHJJLDHDLS-GFCCVEGCSA-N 258.365 3.763 30 20 CHED CC1(C)CN(c2cccc(F)c2C#N)[C@@H]2CCC[C@H]21 378784495 OUENFZCYYAIKFB-IUODEOHRSA-N 258.340 3.712 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1c(F)ccc(C)c1F 809082859 PFJAXHZAJPIBGD-UHFFFAOYSA-N 299.320 3.549 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 397707709 UHXNGJSTRKTGCJ-SNVBAGLBSA-N 297.185 3.759 30 20 CHED CCc1ccc(CN2CCC(CCC#N)CC2)s1 399319026 IHNXSLWGIBHZLI-UHFFFAOYSA-N 262.422 3.826 30 20 CHED CC[C@@H](CC#N)NCc1cccc(C)c1Br 930693066 LLWUYXJJHIOJAZ-LBPRGKRZSA-N 281.197 3.539 30 20 CHED N#Cc1cccc(CN2CCc3cc(Cl)ccc32)c1 27856378 FYQRPHFWZZNNLQ-UHFFFAOYSA-N 268.747 3.774 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(F)c2)cc1[N+](=O)[O-] 108204322 CLSUNQDXKDSOPH-VURMDHGXSA-N 285.274 3.938 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1F)C2 176937463 FQAUUNWYIUFWAN-LCYFTJDESA-N 268.287 3.657 30 20 CHED N#CCCN(Cc1ccccc1Cl)C1CCCC1 104695637 ZPVQZKVMSKPZTN-UHFFFAOYSA-N 262.784 3.998 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccc(CC)cc1 57740766 PJLDOIUIOBVRDE-UHFFFAOYSA-N 262.422 3.844 30 20 CHED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC2)cc1 176337406 LURYVGJPBWYCGR-UHFFFAOYSA-N 292.338 3.505 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1CCCCCC1 58453700 ALIXRSZSCANJIK-UHFFFAOYSA-N 271.364 3.711 30 20 CHED CC[C@@H](OC(=O)CSCC#N)C(C)(C)c1ccccc1 173130561 SRLBYAGMRMCHKE-CQSZACIVSA-N 291.416 3.543 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccc(C)cc1C 177869159 ZFQZIPLAPAZYPB-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(Cl)c1F 104980319 MSFGKYKUQFQCCE-UHFFFAOYSA-N 270.735 3.909 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(F)ccc2F)c1 103028356 AHDDJBIBUGDJMY-UHFFFAOYSA-N 285.293 3.613 30 20 CHED CCN(CC)c1ccc(NC(=O)C(C#N)(CC)CC)cc1 62996654 QCOKRDWHGAILSE-UHFFFAOYSA-N 287.407 3.801 30 20 CHED C=CCSCCNC(=O)CC1CC(c2ccccc2)C1 409591410 KQNSVTPMRHVJFK-UHFFFAOYSA-N 289.444 3.606 30 20 CHED C[C@@H]1C[C@H](CC(=O)N2CCC(C#N)CC2)CC(C)(C)C1 66642767 UVRRRYDPZRVAHU-UKRRQHHQSA-N 276.424 3.601 30 20 CHED N#Cc1ccc(CN(c2cccc(F)c2C#N)C2CC2)cc1 301294270 VBUFEGWXKXXKGD-UHFFFAOYSA-N 291.329 3.738 30 20 CHED N#Cc1cc(F)ccc1Cn1ccc(-c2ccc(F)cc2)n1 303217592 UGZJKEDZCRPAKK-UHFFFAOYSA-N 295.292 3.748 30 20 CHED C=CCCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 66397581 HDUBLFCOWVVDTG-HNNXBMFYSA-N 270.376 3.631 30 20 CHED C#Cc1cccc(NC(=O)NC2(C)CCCCC2)c1 116481058 QCFQSBIRCBYKFO-UHFFFAOYSA-N 256.349 3.512 30 20 CHED COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1C 173988731 MYUBEQSIVIWLGB-AWEZNQCLSA-N 280.371 3.726 30 20 CHED O=C1/C(=C/c2csnn2)CSc2c(Cl)cccc21 110130263 FEYJCVFFCQNZIG-QPJJXVBHSA-N 294.788 3.564 30 20 CHED CN(Cc1cc2ccccc2o1)c1ccc(Cl)c(C#N)n1 301488293 ZQYXYSKZJHPKNF-UHFFFAOYSA-N 297.745 3.989 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1(C)CCCCC1 178558626 VLORMAMVXGXDOA-UHFFFAOYSA-N 271.364 3.711 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cccc(Cl)c1OCC 410140276 QGZYAZXZMZJHDS-CYBMUJFWSA-N 295.810 3.752 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1 128690127 NSPSVNYRMCUMOE-KBPBESRZSA-N 298.292 3.579 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C1 173903829 GHPVSEMBZFTISY-JHJVBQTASA-N 281.359 3.565 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1sccc1Cl 126511967 MWSNBDCCDHUZJD-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC[C@@H]1CN(c2cccc(C#N)n2)CC[C@H]1c1ccccc1 301428425 INEPAIYUKVUTAJ-CRAIPNDOSA-N 291.398 3.973 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(OC)ccc1OC(C)C 181708029 SOLBGDKWFQKZIA-UHFFFAOYSA-N 292.379 3.522 30 20 CHED CN(Cc1csc2ccccc12)c1cccc(C#N)n1 301273705 LAZJPFOYPMVOFM-UHFFFAOYSA-N 279.368 3.804 30 20 CHED CC[C@@H](C#N)Sc1nnc(C[C@@H](C)c2ccccc2)o1 127162135 SJTFIQKLHMDOSX-YPMHNXCESA-N 287.388 3.810 30 20 CHED CCc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 34618952 VGSLCCCBPWGOJG-UHFFFAOYSA-N 265.316 3.765 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1NCc1ccco1 301363518 RIYRSGJSGXOSDI-UHFFFAOYSA-N 283.718 3.965 30 20 CHED CCCCCCCCN/C(N)=N/Cc1cccs1 303693161 BVKYCBWIQXQCAU-UHFFFAOYSA-N 267.442 3.513 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@H]2CCC[C@@H](O)C2)c1 125410098 PHHANRUTWLCZMQ-NWDGAFQWSA-N 298.308 3.540 30 20 CHED CCCCCCCC(=O)N[C@H](C)Cc1c(C)noc1C 129592766 RPCPOHCYNJVAGY-GFCCVEGCSA-N 280.412 3.699 30 20 CHED C=C(C)CN(C)C(=O)C1(c2ccc(F)cc2F)CCCC1 180401813 UONZRXFOMOHLBR-UHFFFAOYSA-N 293.357 3.811 30 20 CHED N#CC1(COC(=O)c2cnc(-c3ccccc3)s2)CCC1 183845496 YCZIXTUBRVIFHG-UHFFFAOYSA-N 298.367 3.661 30 20 CHED C=C(C)CN(C)C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 183049838 FDBYPDHKOQYOJU-LBPRGKRZSA-N 293.794 3.583 30 20 CHED CCN(Cc1cc(C#N)ccc1F)Cc1occc1C 412043199 OYXRZGJPAWMRRU-UHFFFAOYSA-N 272.323 3.621 30 20 CHED C=C(C)CN1CCC(NC[C@@H](C)c2ccc(F)cc2)CC1 127891019 LRKDUYWDWBOICF-OAHLLOKOSA-N 290.426 3.559 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)[C@@H](C)CC 183258621 WEACZRZZJCIRFP-LSDHHAIUSA-N 289.419 3.892 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1-c1ccccc1C#N 180406029 FGAGGSLCUWJEAA-UHFFFAOYSA-N 290.366 3.873 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccc(F)c(Cl)c1 411634880 MGQUDZUBJQDBAT-SNVBAGLBSA-N 254.736 3.603 30 20 CHED CCCC[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 410006272 YXCANYJUCVZFKT-RISCZKNCSA-N 278.783 3.847 30 20 CHED C=CCS[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 180387660 FROMESJUWCJGSF-LBPRGKRZSA-N 285.771 3.504 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc(F)c(C#N)c1 182558573 QXXXAALORAMYHN-LBPRGKRZSA-N 295.317 3.600 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(C#N)cc1 454156824 AEFVCFXQSSCYGV-NSHDSACASA-N 259.353 3.504 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N[C@H]1CCSC1 78502375 HSVNISONVQVVAL-NSHDSACASA-N 289.791 3.677 30 20 CHED CC[C@H](CC#N)N[C@@H]1CC[C@H](Cc2ccccc2)C1 188486366 XHWKLLKMHUDTFI-BRWVUGGUSA-N 256.393 3.680 30 20 CHED CC[C@@H](CC#N)NC(=O)C(C)(C)c1cccc(Cl)c1F 185932150 YZMTXSSHRCDUGC-JTQLQIEISA-N 296.773 3.565 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CC1(O)CCCCCC1 187332234 OJRVUXTYQCABAK-HNNXBMFYSA-N 286.419 3.636 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1c[nH]c2cc(Cl)ccc12 410137196 YXAKINGOOUFBII-CYBMUJFWSA-N 290.794 3.835 30 20 CHED Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cnn1C(C)C 188885250 HNJGVXRJBUAASF-RMKNXTFCSA-N 299.330 3.577 30 20 CHED CN(C)c1ccccc1CN(CCC#N)CC(C)(C)C 75765348 PVDLGZBJVFPVBE-UHFFFAOYSA-N 273.424 3.514 30 20 CHED C[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 78973134 RWCSLLYRDNBCQS-STQMWFEESA-N 294.354 3.699 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H](C)c2cccc(F)c2)n1 76763627 GOHQIOHEMRRFBJ-GWCFXTLKSA-N 288.347 3.571 30 20 CHED N#Cc1cnc(N[C@@H](Cc2ccccc2)C2CC2)c(F)c1 413154966 LOTYHJNMSJBCES-INIZCTEOSA-N 281.334 3.526 30 20 CHED C=CCN(C(=O)[C@H]1CC1(C)C)c1nc2c(s1)CCCC2 507070408 BFDQLOVXBLGGRG-LLVKDONJSA-N 290.432 3.587 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2scnc2c1 187914013 NSZIELXSZDLWEW-AWEZNQCLSA-N 260.362 3.837 30 20 CHED Cc1coc(C)c1C(=O)Nc1ccc(Cl)c(C#N)c1 334885239 NRYDADOELPPDOI-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(F)c1 75434502 GJQSXFJQHWSKEF-UHFFFAOYSA-N 296.345 3.748 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)[C@@H](C)c1ccccc1 180558350 SVAITPPKIFXYEX-CVEARBPZSA-N 294.398 3.871 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1F 130232239 GIXQEXRECUYTCV-KRWDZBQOSA-N 283.350 3.675 30 20 CHED C=CCSCCN[C@H]1CCCOc2cc(F)ccc21 182129152 ZNZOVNVMNYWUBJ-AWEZNQCLSA-N 281.396 3.548 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 79218274 SEOMFYSSYWCNDY-LBPRGKRZSA-N 278.783 3.785 30 20 CHED C[C@H](CN[C@H](C)c1cccc(C#N)c1)Oc1ccccc1 181965574 GEFIIWAOKPOCME-HUUCEWRRSA-N 280.371 3.676 30 20 CHED C=CCn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1C(C)(C)C 508895021 MTKVNMVMRREPEH-CYBMUJFWSA-N 290.455 3.634 30 20 CHED CC#CCCCC(=O)N1CCC[C@]1(C)Cc1ccccc1 184018453 GYWFYAJRUFIXRJ-LJQANCHMSA-N 283.415 3.804 30 20 CHED C=CCCCCCN(C)Cn1nc(C)n(CC=C)c1=S 131383661 HGNBKOMIYSACPX-UHFFFAOYSA-N 294.468 3.544 30 20 CHED CC1(C)CC[C@@H](C(O)=Nc2ccc3c(c2)C(O)=NC3)C1 329685594 AIWNYDYGOPZLRB-SNVBAGLBSA-N 272.348 3.919 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1ccc(OC(C)C)cc1 44190214 RYYUPCUXJPWUIP-ZDUSSCGKSA-N 292.448 3.575 30 20 CHED C=CCSCCNC(=O)Nc1ccc(C)cc1Cl 194595934 MBKCBXLHSHXYOJ-UHFFFAOYSA-N 284.812 3.689 30 20 CHED CC1(C/N=C(/O)[C@H]2CCC(=O)c3cccn32)CCCC1 329887908 YBWRFAFTLBHEET-CYBMUJFWSA-N 274.364 3.543 30 20 CHED C#Cc1cccc(NC2CCN(C(=O)CC(C)(C)C)CC2)c1 130438928 SGNCSYXGTWRHOC-UHFFFAOYSA-N 298.430 3.507 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2scnc2C2CC2)CCC1=O 329038548 SBJJUVWPQCRISH-SCZZXKLOSA-N 278.377 3.614 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C#N)cc1 81175661 MPXOBXLEILBFLB-CJNGLKHVSA-N 270.376 3.599 30 20 CHED CO[C@@H]1Cc2ccccc2N([C@@H](C)c2cccc(C#N)c2)C1 502507217 IHIDDCDWPMRZKQ-KBXCAEBGSA-N 292.382 3.697 30 20 CHED CC1(C)CCc2ccccc2[C@H](/N=C(/O)c2ccnnc2)C1 328689054 CVSRDSLKJGHDJU-MRXNPFEDSA-N 295.386 3.885 30 20 CHED Cc1csc([C@H](C#N)C(=O)CC2CCCCC2)n1 41521497 BSPNYNXMJYMGMG-GFCCVEGCSA-N 262.378 3.598 30 20 CHED C#CCCCC(=O)NC1(c2ccc(Cl)cc2)CCC1 192242287 MPLSMWOTYSSBID-UHFFFAOYSA-N 275.779 3.639 30 20 CHED Cc1ccc2nc(C(=O)Nc3ccccc3C#N)ccc2c1 1348047563 OKRCNDLRKBMZIW-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(CN(C)C)c(Cl)c1 510814205 MZLNUXIOOORJTJ-UHFFFAOYSA-N 294.826 3.942 30 20 CHED C=CCCC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 134972613 ZCUFEUJUDFYRRX-LBPRGKRZSA-N 265.784 3.696 30 20 CHED N#Cc1c(F)cccc1COc1cccc2ncccc12 427529591 WYNOWSSXRWOUGV-UHFFFAOYSA-N 278.286 3.825 30 20 CHED Cc1cccc([C@@H](C)C(=O)N2CCc3c(C#N)cccc32)c1 421651076 IZTXVRSBYIQABV-CQSZACIVSA-N 290.366 3.560 30 20 CHED C[C@]1(CO)CCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 136954759 YNFYLLOHVJYERY-UONOGXRCSA-N 298.308 3.540 30 20 CHED Cc1nc(COc2ccc(C#N)cc2Cl)sc1C 89090770 QTWOOFTUXSVODR-UHFFFAOYSA-N 278.764 3.864 30 20 CHED CCc1nc(C)c(CN(C)[C@@H](C)c2cccc(C#N)c2)o1 425538402 RUMVIZDMMWJZDX-ZDUSSCGKSA-N 283.375 3.610 30 20 CHED C[C@H]1CCC[C@H](Nc2c(C#N)nnc3ccccc23)CC1 227539290 LJSJUIWULFIUOT-STQMWFEESA-N 280.375 3.882 30 20 CHED N#CCCC[S@@](=O)Cc1ccc(-c2ccccc2)cc1 190756047 YAJRHULATCIBLJ-HXUWFJFHSA-N 283.396 3.906 30 20 CHED Cc1nc(NC[C@@H](C)C#N)c2c(CC(C)C)csc2n1 80757459 VHHQTAXVTSPGFT-JTQLQIEISA-N 288.420 3.770 30 20 CHED CC(C)[C@@H](C)S[C@@H]1CCN(c2sccc2C#N)C1=O 83093497 QTEAIROUNAJTJT-ZYHUDNBSSA-N 294.445 3.503 30 20 CHED CCC(CC)(CC)NC(=O)c1cc(C#N)ccc1Cl 513446824 ISVODJRKQFLBHU-UHFFFAOYSA-N 278.783 3.910 30 20 CHED CC(=O)Nc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1Cl 336251980 WJOBMXOHMXKMBO-NEPJUHHUSA-N 291.782 3.793 30 20 CHED Cc1cc(S[C@H](C)c2csnn2)ccc1C#N 335472235 UEQDOLQDQGEXGX-SECBINFHSA-N 261.375 3.572 30 20 CHED C[C@]1(c2ccccc2)CC[C@H](N[C@@H]2CC[C@H](C#N)C2)C1 424334041 VGOIZFVZVYWLCE-RANZSIQMSA-N 268.404 3.779 30 20 CHED CCCCCCCCC(=O)NCc1nc(C)cs1 192573484 BTQGGDJOVKQNLT-UHFFFAOYSA-N 268.426 3.818 30 20 CHED Cc1csc(Sc2snc(Cl)c2C#N)n1 92582418 VKSQJYDDKFJVLQ-UHFFFAOYSA-N 273.795 3.584 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1ccc(CC#N)cc1 336471622 BFJNENJZTSVFQZ-UHFFFAOYSA-N 284.746 3.967 30 20 CHED Cc1ccc(-c2nnc(S[C@H]3CC[C@H](C#N)C3)o2)cc1 336113010 BAKMHOLYIQDZSO-AAEUAGOBSA-N 285.372 3.829 30 20 CHED CC[C@@]1(C)CCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)C1 330929644 NNGXCURAGRZSBO-WBVHZDCISA-N 285.391 3.647 30 20 CHED C[C@H](C#N)CN(C)C(=O)CC1CCC(c2ccccc2)CC1 517450616 KCZHBKCQNBAGNY-KLHKWILBSA-N 298.430 3.969 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CCC(F)(F)C1)CC2 334685150 ABEDGQDUCPEJHK-WFASDCNBSA-N 276.330 3.571 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)N[C@H](C#N)CCC 92004787 VZQKSTAHOQQFNV-LBPRGKRZSA-N 294.782 3.551 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)NCCc1cccc(C#N)c1 515168346 JDUDOGXGSYEHMS-SFHVURJKSA-N 298.430 3.823 30 20 CHED N#Cc1ccsc1C(=O)N1C[C@H]2CC[C@H]1c1ccccc12 335067463 AWFOTMNRGKYRBQ-DOMZBBRYSA-N 294.379 3.694 30 20 CHED CC(C)[C@@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1 337377148 BSXUCFKODUGCEV-XJKSGUPXSA-N 273.355 3.556 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(C#N)s1 334831762 RQKNMOCMAGZINH-MGPLVRAMSA-N 286.375 3.782 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccccc2C(F)(F)F)no1 334667683 FLGWPRUNQALNKK-OQPBUACISA-N 293.248 3.557 30 20 CHED CC(C)(C#N)CCCn1nc(C(F)(F)F)c2cnccc21 92918708 YBPLILDMFIJRMY-UHFFFAOYSA-N 296.296 3.780 30 20 CHED Cc1ccccc1CC(C)(C)NCc1cccc(C#N)c1 237718274 QFXPNIYHIPRTDI-UHFFFAOYSA-N 278.399 3.978 30 20 CHED Cc1c(F)ccc(Cl)c1NC(=O)c1ccc(C#N)s1 336584817 DBTHREMQHQSTIB-UHFFFAOYSA-N 294.738 3.973 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](C)c1ccc(Cl)s1 336154167 SHJXFOWCRPNCRT-SSDOTTSWSA-N 294.763 3.666 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1ccccc1Cl 334258261 OTFGXUVWVHONMR-UHFFFAOYSA-N 284.746 3.878 30 20 CHED C[C@H](CC/N=C(/O)c1csc(O)n1)CC(C)(C)C 331029327 YFOBSOMDEPGPGC-SECBINFHSA-N 270.398 3.616 30 20 CHED CCCC1(CNC(=O)C2(c3cccc(C#N)c3)CC2)CCC1 435253942 MSIRCAZSGSCTMC-UHFFFAOYSA-N 296.414 3.676 30 20 CHED CC1(C)Cc2cccc(CSc3cc(C#N)ccn3)c2O1 430099663 FYVDDLHPHMMGOC-UHFFFAOYSA-N 296.395 3.959 30 20 CHED CC(C)c1ccoc1/C(O)=N/CC(C)(C)[C@@H](O)C(C)C 330481460 PJOBVXWNEKMWKM-AWEZNQCLSA-N 281.396 3.751 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(CCC)c1 435744525 GAAKAKVNROVYQH-QZTJIDSGSA-N 273.420 3.710 30 20 CHED C=C(C)CN1CCC(Nc2nccc3ccccc23)CC1 527884931 ZYDLCUAGPUOYGM-UHFFFAOYSA-N 281.403 3.687 30 20 CHED CO[C@@H](c1ccccc1F)[C@@H](C)Nc1nccc(C)c1C#N 343541212 SDXVIXLCUGAZFD-MLGOLLRUSA-N 299.349 3.589 30 20 CHED C=CCC1(C(=O)N[C@H]2COc3cccc(Cl)c32)CCC1 346256913 ZNTBXSHIYGDNRL-LBPRGKRZSA-N 291.778 3.636 30 20 CHED CC1(C)CCC[C@H](C(=O)N(C2CC2)C2(C#N)CCC2)C1 341607849 CDGIIOGWPRGMKD-ZDUSSCGKSA-N 274.408 3.640 30 20 CHED N#CCCCNc1ccnc2cc(Br)ccc12 343627586 QKIWRQWTDPLUCM-UHFFFAOYSA-N 290.164 3.713 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNc1cc(C#N)ccn1 342966086 OTOJFMGREHJBMU-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)CCCC(F)(F)F 602634702 OGJBKSZNDBQHTK-WDEREUQCSA-N 250.308 3.637 30 20 CHED N#CCn1c(/C=C\c2ccc(O)c(F)c2)nc2ccccc21 436932275 MWVXTWGXGUHYEX-VURMDHGXSA-N 293.301 3.575 30 20 CHED Cc1nc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cs1 344099415 KLYKHAHDRNHPME-WDEREUQCSA-N 271.389 3.735 30 20 CHED N#CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCCC1 245694559 KHKMTZMNLNVCQQ-OWCLPIDISA-N 288.435 3.936 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SC[C@@H](C)C(F)(F)F 439030019 YIOYVOIGORMUQF-GHMZBOCLSA-N 297.386 3.731 30 20 CHED C=C(C)COc1cc(CNC2CC(C)C2)ccc1OC 344620604 JZWUGDNNUJDOKI-UHFFFAOYSA-N 275.392 3.538 30 20 CHED C[C@H](CCC#N)CN1CCc2cccc(Cl)c2C1 602691156 NHDJYPCQUAJJRY-GFCCVEGCSA-N 262.784 3.638 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(Cl)ccc1OC(F)F 299149377 DTLYHGMDLYLUKU-VIFPVBQESA-N 288.725 3.533 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2cc(O)cc(O)c2)c1 255869492 MBEJDAQZYVQVHT-SREVYHEPSA-N 298.338 3.781 30 20 CHED C[C@H](CCC#N)CNC[C@@H](C)Sc1ccccc1 602560507 MREKQBBUERPBID-ZIAGYGMSSA-N 262.422 3.697 30 20 CHED Cc1ccc(CN=c2cc(C#N)c3ccccc3[nH]2)c(C)c1 609894711 GDPNVSWUOGPQPL-UHFFFAOYSA-N 287.366 3.757 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCCc2ccc(F)cc21 602638566 PMSUSOIOIFDAAR-MLGOLLRUSA-N 260.356 3.733 30 20 CHED C[C@H](CN(C)c1cccc(F)c1C#N)c1ccccc1 608974331 RJWGVMPMUGZTCV-CYBMUJFWSA-N 268.335 3.937 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)c1ccco1 607475309 TUAAGRKBZCHTHN-CQSZACIVSA-N 299.370 3.607 30 20 CHED C=CCN(Cc1nc(C(C)C)n2ccccc12)C1CC1 520415419 KPTADBQBPVPSSO-UHFFFAOYSA-N 269.392 3.608 30 20 CHED COCc1cc(C#N)ccc1NCc1cc(C)cs1 603384886 BERDNXRNBSRVRV-UHFFFAOYSA-N 272.373 3.687 30 20 CHED C=C(C)CCNC1CCN([C@@H]2CCC[C@H](C)C2)CC1 449480772 ZPDWINOLCCIGOB-DOTOQJQBSA-N 264.457 3.585 30 20 CHED CCc1onc(C)c1NC(=O)C[C@@H](CC#N)c1ccccc1 356562565 DWBQJRBZSPQYKW-CQSZACIVSA-N 297.358 3.572 30 20 CHED C=CCOCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 354602890 PSFGMXUMNZFHSC-OAHLLOKOSA-N 293.382 3.622 30 20 CHED C=C1CCN(Cc2c[nH]nc2-c2ccc(C)cc2)CC1 353319526 FVWSSFRFMGWVCC-UHFFFAOYSA-N 267.376 3.537 30 20 CHED COc1cc(Br)cc(N[C@H]2CC[C@H](C#N)C2)c1 442857403 PMRQGXVAYYXGAW-ONGXEEELSA-N 295.180 3.562 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H](C)CCSC 358810717 WOMIVSMVNORIBX-CYBMUJFWSA-N 296.484 3.555 30 20 CHED C[C@H](CC(F)(F)F)NC(=O)C[C@@H](CC#N)c1ccccc1 356761071 GSDXJCZBDJDXJV-DGCLKSJQSA-N 298.308 3.531 30 20 CHED CC1(C)CN(C(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccco1 601700435 RLXRUAHBQZPPPH-MRXNPFEDSA-N 294.354 3.569 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc2occc2c1 352851106 ADDOEHNXHUOADE-RDJZCZTQSA-N 271.360 3.504 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 355329177 FVXWIZDYUIJATJ-ZETOZRRWSA-N 289.354 3.644 30 20 CHED CCCCn1ncc(N[C@H]2CC[C@H](C#N)C2)c1C(C)C 442857035 DWMZUKDVCXZQRS-KBPBESRZSA-N 274.412 3.911 30 20 CHED CC[C@H](C)c1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)on1 356491398 CLEIJMFKOWXXDU-NWDGAFQWSA-N 297.358 3.551 30 20 CHED CC(C)CN(CCc1cccnc1)Cc1ccc(C#N)cc1 358987467 SVKTYUMRKUGKSU-UHFFFAOYSA-N 293.414 3.654 30 20 CHED C=CCCNC(=O)CCCc1csc2ccccc12 617615979 DZUWTJJJQWMLQG-UHFFFAOYSA-N 273.401 3.916 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cnoc2C2CC2)n1 269932821 PSNPXOBURUUPBX-UHFFFAOYSA-N 285.372 3.728 30 20 CHED COCc1ccc(NC[C@H](OC)c2ccccc2)cc1C#N 530121188 KYWVTEOUYCUMTM-SFHVURJKSA-N 296.370 3.504 30 20 CHED CC(C)[C@@H](C#N)NC(=O)Cc1ccc(-c2ccccc2)cc1 264662825 WADVWKIMKOGQRE-GOSISDBHSA-N 292.382 3.560 30 20 CHED C=CCC[C@@H](NC(=O)Cc1ncccc1F)c1ccccc1 350477231 KYEKVHULUFLUIA-MRXNPFEDSA-N 298.361 3.587 30 20 CHED N#C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C1CCCCC1 267210026 FOTQFXIRJBVAEP-MRXNPFEDSA-N 299.349 3.509 30 20 CHED C=CCCC1(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)CC1 355113875 PFJVBPOSFPXHFN-RDJZCZTQSA-N 299.414 3.721 30 20 CHED N#Cc1nccnc1N1C[C@@H](c2ccccc2)c2ccccc21 443958426 GPSBNDZQNNHSFL-INIZCTEOSA-N 298.349 3.632 30 20 CHED C=CC[C@H](CC)N[C@H]1CCCc2cc(C#N)ccc21 619611607 RGDOHTZZASCAQM-RDJZCZTQSA-N 254.377 3.880 30 20 CHED C=C(C)CSCC(=O)N[C@@H](CCC)c1ccccc1 357035161 DSHHPPHVBJTGPN-HNNXBMFYSA-N 277.433 3.953 30 20 CHED CC(C)C[C@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 356521557 UETQLLDJJPJQFS-HOCLYGCPSA-N 272.392 3.625 30 20 CHED CCc1ccccc1Cc1noc(C2(C#N)CCCCC2)n1 618423099 DKVQTWDVQOYEPY-UHFFFAOYSA-N 295.386 3.948 30 20 CHED C[C@H](NC1CCC2(CCCO2)CC1)c1cccc(C#N)c1 615967068 HOTKMNZTWPDEHV-NNGSBXSVSA-N 284.403 3.701 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 617789377 HGEDHGSCZUZTNS-LBPRGKRZSA-N 263.768 3.768 30 20 CHED CC(C)(C)CN(CCC#N)c1ncnc2cccc(F)c12 535376021 LTEURPOKNMLUGB-UHFFFAOYSA-N 286.354 3.535 30 20 CHED CCOc1ccc(CNc2cccnc2C#N)cc1Cl 357535137 PIAULHPKDCGXHQ-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H](C)C1 538462518 NGRKORCISXZUEZ-YJBOKZPZSA-N 298.430 3.979 30 20 CHED N#CC[C@H](CC(=O)NCC(C1CC1)C1CC1)c1ccccc1 530286552 TZKACIRJXXOTRH-QGZVFWFLSA-N 296.414 3.626 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)s1)C1CCCC1 458333436 HIXJKKGSFNSUCF-CYBMUJFWSA-N 276.405 3.708 30 20 CHED N#CCCN(Cc1ccco1)Cc1nccc2ccccc12 611251932 BSIZZJQIUHSVAZ-UHFFFAOYSA-N 291.354 3.744 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cccc2ccsc12 459474050 YLKXXMOMBDSGMX-UHFFFAOYSA-N 287.388 3.963 30 20 CHED C=CCCCSc1nnc(-c2ccccn2)n1CC=C 269032537 WBIVATGKWUPFJA-UHFFFAOYSA-N 286.404 3.584 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C 451640199 CROUNKJKBLENHF-GOEBONIOSA-N 271.404 3.993 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccn(C)c1-c1ccccc1 614395903 FFMYFKMPTAEJPT-OAHLLOKOSA-N 282.387 3.777 30 20 CHED Cc1cc2occ(C(=O)NCC(C)(C)CC#N)c2cc1C 457989863 GNRNUIREWMBOSQ-UHFFFAOYSA-N 284.359 3.719 30 20 CHED C=CC[C@H](C(=O)Nc1c(C)noc1C)c1ccccc1 274989143 HUVPEOODYYWKNC-AWEZNQCLSA-N 270.332 3.590 30 20 CHED CCN(CC)Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 274209156 MZQQKVCKEOXWPG-MOPGFXCFSA-N 299.462 3.700 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 619748314 HRUOSLAYRMLHPP-RISCZKNCSA-N 262.784 3.880 30 20 CHED C[C@@H](CCC#N)N1CC[C@@H](CSc2ccccc2)C1 276304788 KUGQHOCCUOIIBB-LSDHHAIUSA-N 274.433 3.793 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@H](Nc2ccccc2)C1 364357260 UUTQGAJLCKSLSJ-QGZVFWFLSA-N 285.435 3.893 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(C#N)c1 360705884 TZLNVOSPBOLDMV-XJKSGUPXSA-N 284.403 3.845 30 20 CHED CCN(CCc1cccs1)C(=O)c1ccc(CC#N)cc1 270270314 QBGGMXSFQZQFIP-UHFFFAOYSA-N 298.411 3.519 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(-c2ccc(C)o2)s1 541963780 AREBLVGRUHJLLC-LLVKDONJSA-N 288.372 3.739 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 457190284 ISWPGGJXPRTDMF-IOASZLSFSA-N 293.432 3.687 30 20 CHED N#Cc1cccc(/C=C/c2nc([C@@H]3Cc4ccccc43)no2)c1 546993777 DUYFOQBKCBAORG-KBOKABMXSA-N 299.333 3.800 30 20 CHED C#CC[C@H](NC(=O)Nc1scnc1CC)c1ccccc1 270232414 INUIMNILSXXTQT-AWEZNQCLSA-N 299.399 3.592 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)CC(F)(F)F 451249992 QOZZVMGFBQFKOY-WDEREUQCSA-N 263.303 3.532 30 20 CHED C=CCN(C(=O)c1cccc(F)c1SC)C(C)(C)C 622945170 VSQGKDGVOZBISJ-UHFFFAOYSA-N 281.396 3.974 30 20 CHED N#CCCCC(=O)Nc1ccccc1COc1ccccc1 360026698 YAVHYTUCEUPYMN-UHFFFAOYSA-N 294.354 3.898 30 20 CHED CC[C@H](NCc1ccc(OC)cc1)c1ccc(C#N)cc1 278351070 ZCQOTHFLRKZSKJ-SFHVURJKSA-N 280.371 3.808 30 20 CHED C=CCC[C@H](NCC[C@H](C)N1CCCCC1)C1CC1 544373254 WAKFCBJOKYLLBY-RDJZCZTQSA-N 264.457 3.585 30 20 CHED CCC1(CNC(=O)N2CCC(CC#N)CC2)CCCCC1 545175695 QMFOLRIKBUXAIB-UHFFFAOYSA-N 291.439 3.682 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)CSc1ccc(C#N)cc1 457224840 LTQHSSRLHHAPRV-GFCCVEGCSA-N 290.432 3.591 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H]2F)CCCCC1 452164858 FNNNCUWDYXFEGZ-QWHCGFSZSA-N 253.361 3.520 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(N(C)C(C)C)nc1 361583969 DRJBRUNYVNZACJ-UHFFFAOYSA-N 294.402 3.718 30 20 CHED Cc1ccc(C)c([C@H]2CN(CC3(C#N)CCC3)[C@H](C)CO2)c1 450442712 TVIMSDQAORPLAY-SJLPKXTDSA-N 298.430 3.759 30 20 CHED C=CCCc1nc(-c2ccc(OC3CCCC3)nc2)no1 545085637 FFKHMICIZILBTK-UHFFFAOYSA-N 285.347 3.572 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1OC(C)C 272597605 IPLZZWCYQBXZOO-UHFFFAOYSA-N 265.328 3.908 30 20 CHED CC(C)(C)[C@@H]1CN(C(=O)NCCCC#N)c2ccccc21 278980560 CUYGZNGLHAQILA-CQSZACIVSA-N 285.391 3.650 30 20 CHED CC(C)[C@H](C)CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 371786071 AFSIUHHBVLBKOD-KBAYOESNSA-N 298.430 3.967 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1cc(C#N)ccc1[N+](=O)[O-] 466365132 UFTOINOAHJBDTG-OAHLLOKOSA-N 293.326 3.874 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(Cl)c(C#N)c2)C1 542512877 MGZDPSBPKPVLLB-RISCZKNCSA-N 290.794 3.862 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 270364427 ZSRJJPFMGLKEMT-WMLDXEAASA-N 284.403 3.793 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OCC2CC2)cc1 466379184 VZMPJSHBVYPJGD-CQSZACIVSA-N 288.391 3.952 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(C)cc1C 464758061 OQAXYGSDLKDCMP-ZIAGYGMSSA-N 260.381 3.580 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC 289322828 BXQJDQOQNDOCOM-JTQLQIEISA-N 299.823 3.985 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C1CC1)[C@@H](C)c1ccccc1 280719275 INXYVGUMZOQEGV-LBPRGKRZSA-N 294.354 3.826 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)NCCCCC#N 280637179 AUHXFRMUHBKUMZ-UHFFFAOYSA-N 287.407 3.935 30 20 CHED CC(C)(CC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC1 460010428 NBTGCFWVFZAWDO-UHFFFAOYSA-N 287.407 3.880 30 20 CHED CC(C)CCC(=O)N(CCC#N)c1ccc(F)cc1 551816426 IUBVSJJOIGPMRP-UHFFFAOYSA-N 262.328 3.509 30 20 CHED CCCOc1ccc(NC(=O)[C@](C)(C#N)CC)c(C)c1 288492782 YRWVEWSYKJGRRP-INIZCTEOSA-N 274.364 3.662 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](CC)Oc1ccccc1C 467991843 CFRLISILZWIXOY-MAUKXSAKSA-N 289.419 3.871 30 20 CHED CN(Cc1cccs1)C(=O)c1ccc(C(C)(C)C#N)cc1 280289708 OSFQCXQPQYTUKM-UHFFFAOYSA-N 298.411 3.821 30 20 CHED C=CCCN(C)C(=O)CC(C)(C)CC(=O)c1ccccc1 282267028 KFPBWVIOBAQXCO-UHFFFAOYSA-N 287.403 3.710 30 20 CHED CCN(c1nc(Cl)c(C#N)s1)[C@H](C)c1cccnc1 287488693 XXSUYADYBBZHPA-SECBINFHSA-N 292.795 3.651 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1CCCSC1)c1ccccc1 553733463 BCICTSYFZVYLHB-HUUCEWRRSA-N 289.444 3.606 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 285125182 VUYVCBKFHAPWOM-KRWDZBQOSA-N 298.390 3.739 30 20 CHED C[C@H](CN(C)C(=O)c1ccsc1C#N)C1CCCCC1 1531605847 WYEKZCJVGKBVHN-GFCCVEGCSA-N 290.432 3.908 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCC[C@H]1CC(C)C 280989442 DUGBBALLTBRONW-ZDUSSCGKSA-N 274.364 3.501 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccccc1SC 282172411 JSCGUORBMKTPLR-LBPRGKRZSA-N 275.417 3.635 30 20 CHED C=CCC1(C(=O)NCCc2cc(C)cc(C)c2)CCC1 479989545 KKHYXBQSQUIOJK-UHFFFAOYSA-N 271.404 3.709 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc2cc[nH]c2c1 280694488 WJVONHOAKJMKBC-INIZCTEOSA-N 256.349 3.733 30 20 CHED CC(C)Oc1cccc(/C=C\c2ccncc2C#N)c1 470281153 VEYHDDBCKBUTHN-SREVYHEPSA-N 264.328 3.911 30 20 CHED C=CCOc1ccc(CNC(=O)CC[C@@H](C)CC)cc1 557058420 BZAWSOWPGDQRIW-AWEZNQCLSA-N 275.392 3.694 30 20 CHED CCCCCCCC(=O)Nc1ccc2ncnc(O)c2c1 299457782 YLMUCTYHFABLQS-UHFFFAOYSA-N 287.363 3.634 30 20 CHED N#CCCCCCC(=O)OCc1cnc2ccccc2c1 805696994 NVGHXLGGCQRAJO-UHFFFAOYSA-N 282.343 3.752 30 20 CHED CCC[C@H](C)OC(=O)C(C)(C)c1cc(F)cc(C#N)c1 802798609 NHUXPSCHKLZQBM-NSHDSACASA-N 277.339 3.707 30 20 CHED C#Cc1ccc(CNCCc2cc3ccccc3o2)cc1 809621526 IAFCIMVMRXWFFY-UHFFFAOYSA-N 275.351 3.746 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C)c(OC)cc1Cl 290264743 ZHWIHNXYLMXBEC-UHFFFAOYSA-N 279.767 3.645 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cccc([N+](=O)[O-])c1C 477747496 QEFZIOGDQDWCLW-DGCLKSJQSA-N 262.353 3.594 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CCS[C@H]1C)c1ccccc1 648679922 VBEHLXKTCFEANJ-CWRNSKLLSA-N 289.444 3.747 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc2oc(C)nc12 640243258 AUKKXOKCINGOCX-LLVKDONJSA-N 273.336 3.612 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@H](F)C1)c1ccccc1 563235722 JQPJWOQRLPAWIL-HOTGVXAUSA-N 290.382 3.837 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 297600478 HCZGJRLXSPEPGD-MRXNPFEDSA-N 271.404 3.741 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 296144859 JFJPUSPEZLXHDY-LSDHHAIUSA-N 283.375 3.601 30 20 CHED C#C[C@@H](NC(=O)c1ccc(CSCC)cc1)C(C)(C)C 807881945 GOJBYJAEGLBVQP-OAHLLOKOSA-N 289.444 3.717 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(-c3ccccc3OCC#N)n2)C1 809343716 HXKSLZKLFUCULL-CHWSQXEVSA-N 297.358 3.933 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc2c1CN(CC(C)C)C2 295505359 KZYQTTKTDJTNNC-UHFFFAOYSA-N 286.419 3.809 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 562027126 ASSHARDOYQCHRI-CQSZACIVSA-N 290.455 3.679 30 20 CHED C=CCCCCCCNC(=O)c1cc(C(C)=O)cs1 805218709 KPAZLOZAEOCOST-UHFFFAOYSA-N 279.405 3.817 30 20 CHED COc1cc(F)cc(NN=C[C@@H]2CC[C@@H](C)C2)c1 800813984 OAQWGNUIOXSYSY-GHMZBOCLSA-N 250.317 3.668 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)O)s1 564350681 NYGTUCVNIHUCDH-WMLDXEAASA-N 295.363 3.575 30 20 CHED CCN(C[C@H](O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 299031139 HXVQPBXAKRQKOL-KXBFYZLASA-N 294.398 3.675 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@H]1CC[C@@H](C)C1 807989639 OQFKHSYJTWFFMU-PWSUYJOCSA-N 261.325 3.737 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2C)cc1 569679202 BKUQTSLBFQYIRJ-ZBFHGGJFSA-N 287.403 3.694 30 20 CHED CC1(C)CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC(C)(C)C1 569657109 ZLCQHDBZZXBUMB-UHFFFAOYSA-N 287.363 3.729 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1nc2ccccc2s1 485587312 CJKKGASHRNAFLW-LLVKDONJSA-N 287.388 3.869 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1ccc(C#N)s1)C1CC1 487642121 ZCMZIJQLXFCSEU-INIZCTEOSA-N 296.395 3.809 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)Cc3ccco3)c2c1 487930364 MBJIDHOUMDJYHC-UHFFFAOYSA-N 277.327 3.644 30 20 CHED C=C(C)CN(C)Cc1noc(-c2c(F)cccc2Cl)n1 645847778 CBHFMVAXROEFSU-UHFFFAOYSA-N 295.745 3.537 30 20 CHED CC#CCCNCc1cnc(-c2ccc(Cl)cc2)s1 566024741 MFHYSSRVLNWXJP-UHFFFAOYSA-N 290.819 3.967 30 20 CHED Cc1cccc(/C=C2\Cc3ccc(C#N)cc3C2=O)c1 811696036 PMFZWMBTMIVFFH-LZYBPNLTSA-N 259.308 3.689 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCC1CC(OCC)C1 657986465 MQKXGODDBVWFOK-XGHPGWEVSA-N 265.441 3.916 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)[C@@H](C)CC)c1ccc(Cl)cc1 811946955 PAMTWBUOLSUOBA-HUBLWGQQSA-N 277.795 3.813 30 20 CHED C=CCCCCCCCNC(=O)C1(C#N)CC(C)C1 811589838 IJMBBKLZGLIMMF-UHFFFAOYSA-N 262.397 3.569 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)CCc1ccccc1 812389410 IARHGQUUXVEKAW-QIQQCEGHSA-N 283.371 3.841 30 20 CHED C=CCCC(CCC)=NNCc1ccc(C#N)cc1 814881893 ZWCRKGBUGBAPIP-UHFFFAOYSA-N 255.365 3.770 30 20 CHED O=C(/C=C\c1cnn(CC(F)F)c1)c1ccc(Cl)cc1 814186950 VFLFQNBYHSPYBM-BHQIHCQQSA-N 296.704 3.698 30 20 CHED Cc1nc(N2C[C@H](C)C[C@@H]2c2cccc(F)c2)ccc1C#N 488072295 ZQFFLTRNLZMGFS-SJKOYZFVSA-N 295.361 3.988 30 20 CHED C=CCC1(NCc2cc(F)cc(Cl)c2)CCOCC1 657633749 VRMNPGZBBWVPMD-UHFFFAOYSA-N 283.774 3.694 30 20 CHED Cc1nc(N2CCC(C)(c3ccccc3)CC2)ccc1C#N 488095890 XGKSPRUDACOQQZ-UHFFFAOYSA-N 291.398 3.820 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccc3[nH]ccc3c2)o1 811639888 JSCSCHHKOXZRLT-UHFFFAOYSA-N 293.330 3.597 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1nc2ccccc2s1 485587313 CJKKGASHRNAFLW-NSHDSACASA-N 287.388 3.869 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc2c(c1)CNC2 817969570 XKIVTZYNXLRENC-HNNXBMFYSA-N 272.436 3.904 30 20 CHED CC(=NNc1ccccc1F)c1ccc(-n2ccnc2)cc1 812459312 XEKZYIIKVKFGTQ-UHFFFAOYSA-N 294.333 3.848 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(C)c2C)c1 728480980 AKZAQOQJWSPSBO-UHFFFAOYSA-N 277.367 3.951 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)c2ccccc21 572189879 MPAWPXVOLGBBNC-LBPRGKRZSA-N 294.329 3.851 30 20 CHED C[C@@]1(CNc2ncc(C#N)cc2Cl)CC1(Cl)Cl 828797891 DSVLOUDENQQBHE-JTQLQIEISA-N 290.581 3.602 30 20 CHED Nc1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)cn1 821039955 UNAKHFGAZOJJMC-HNQUOIGGSA-N 299.182 3.928 30 20 CHED C=CCCCCS(=O)(=O)[C@H](C)c1ccccc1F 574020907 HHKONIZUVPSCSU-GFCCVEGCSA-N 270.369 3.658 30 20 CHED C=CCOc1ccc(C(=O)NCCc2ccccc2C)cc1 497758313 JRSPJQXXUACEEM-UHFFFAOYSA-N 295.382 3.532 30 20 CHED C=C(C)COc1cc(CN[C@H]2CCC2(C)C)ccc1OC 577913410 HZQATIYOJIYJCL-KRWDZBQOSA-N 289.419 3.928 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3oncc3c2)o1 821037959 FPPOXDCLTNQYRN-HWKANZROSA-N 253.257 3.625 30 20 CHED N#Cc1ccc(CNC2CCC(OC3CCCC3)CC2)cc1 823666577 NGAUBUYWHVHAEO-UHFFFAOYSA-N 298.430 3.918 30 20 CHED Cc1c([C@H](C)NCC2(C#N)CCC2)cnn1-c1ccccc1 828815675 BDNMIMTVZLFOCO-AWEZNQCLSA-N 294.402 3.525 30 20 CHED C1=CC[C@H](C=NNc2cccc3cnccc23)CC1 728431754 BRMPVTODQREVSD-ZDUSSCGKSA-N 251.333 3.989 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@H](CC(F)(F)F)C1 823077357 LCQMZWQBTAPWKR-NWDGAFQWSA-N 277.330 3.780 30 20 CHED C=CCCCC[C@@H](C)NC[C@@](C)(O)c1ccsc1 823915294 MQQYYIUKUFKVBT-UKRRQHHQSA-N 267.438 3.680 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1cc(C)[nH]n1 738457349 RYYSARQHBBOASP-ZDUSSCGKSA-N 294.443 3.514 30 20 CHED Cc1ccc([C@@H]2CCCCN2c2nc(C)cc(C#N)n2)cc1 587992500 PKVXIQYCOSQQAJ-KRWDZBQOSA-N 292.386 3.697 30 20 CHED CCCOc1ccc(C(C)=NNc2ccc(F)cn2)cc1 731319494 VPGPFMOBXDKOMY-UHFFFAOYSA-N 287.338 3.846 30 20 CHED CSc1ccc2c(c1)[C@H](NCC(C)(C)C#N)CCC2 903101172 BTRKDFZAOMJUSJ-OAHLLOKOSA-N 274.433 3.925 30 20 CHED CC(C)CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730422566 YQSIVSGFTDMISZ-JTQLQIEISA-N 276.336 3.658 30 20 CHED C=C(C)CCNC(=O)N(C)C1CCCCCCC1 838660807 PHGDQVJIFQPJDO-UHFFFAOYSA-N 252.402 3.707 30 20 CHED C[C@H](CC(=O)N(C1CC1)C1(C#N)CCC1)CC(C)(C)C 585747956 DPWXHJNOWUGWLD-CYBMUJFWSA-N 276.424 3.886 30 20 CHED N#C[C@H](C(=O)[C@H]1CCC[C@H]1c1ccccc1)c1ccccn1 835059804 DHDXNXRTXHFPPT-ULQDDVLXSA-N 290.366 3.842 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cc(F)ccc1OC 903371434 SMRZNWUFHVOKGC-BJJXKVORSA-N 290.382 3.957 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@]1(C)CC1(Cl)Cl 836911692 JWYHOSGYMBIKCY-VXGBXAGGSA-N 278.223 3.679 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(F)c(F)cc2Cl)C1 839053427 DTFQSHMEDCBVKF-BDAKNGLRSA-N 299.704 3.857 30 20 CHED C=C(Cl)CN1CCSC[C@H]1c1ccc(C)cc1 734854186 MYHJQLRBNBUGHN-AWEZNQCLSA-N 267.825 3.837 30 20 CHED Cc1ccnc(CSCCCCC2(C#N)CCC2)n1 901775391 LFNCDJUXCGGAEY-UHFFFAOYSA-N 275.421 3.882 30 20 CHED CC(C)c1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)nc1 589438064 VWLVXOZZKMHCMM-CYBMUJFWSA-N 293.370 3.568 30 20 CHED N#CC1(c2ccccn2)CCN(CCC2=CCCCC2)CC1 581589248 HPFFYYCYJIFANK-UHFFFAOYSA-N 295.430 3.829 30 20 CHED Cc1cc(C)nc(NN=C[C@@H](C)c2cc(F)cc(F)c2)n1 834911609 DVARKYDFEKMMGL-SECBINFHSA-N 290.317 3.573 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc3c(c2)OCCO3)c1 734981350 QXTYDZRWGCMAKE-UTCJRWHESA-N 298.313 3.801 30 20 CHED CC(=NNc1nc2ccccc2cc1C)[C@H]1C[C@H]2CC[C@H]1O2 834971266 WQCTTXIODIEESC-BFYDXBDKSA-N 295.386 3.899 30 20 CHED C#CCC[C@H](C)OC(=O)CCCc1c[nH]c2ccccc12 839032965 WKDBSPJPAOKEHZ-AWEZNQCLSA-N 283.371 3.836 30 20 CHED CC1CCC(=CC(=O)OCCOc2ccc(C#N)cc2)CC1 734203572 YPWFQPDETMEYJW-UHFFFAOYSA-N 299.370 3.617 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cccc(C)c2F)c1C 834422186 ZIPOPSFIZINSFR-MDZDMXLPSA-N 286.350 3.863 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(-n3ccnc3)cc2)c1 917027379 IMBSPYREKCJURM-UHFFFAOYSA-N 290.370 3.935 30 20 CHED COc1ccc(C=NNc2ccccc2Cl)cc1 916262851 RDGUZMYKEGEGTB-UHFFFAOYSA-N 260.724 3.795 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnn(C2CCCC2)c1 830199635 GHIXRPSRIOLDPR-LBPRGKRZSA-N 261.369 3.539 30 20 CHED C=CCCCCCN(C)C[C@@H](O)c1ccccc1F 739929594 FIEGFOYYGXOCGA-MRXNPFEDSA-N 265.372 3.537 30 20 CHED CC1(C)CC(=NNc2cc(C(F)(F)F)ccn2)C1 834986064 RLLLXLYCXZQVDT-UHFFFAOYSA-N 257.259 3.688 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)OC1CCCC1 830750130 FZGHAEQPAVOOJD-IAGOWNOFSA-N 298.386 3.837 30 20 CHED CC[C@H](CN[C@@H](C)c1cccc(C#N)c1)CC(F)F 595416424 XHLFVGBVSXGUMW-RYUDHWBXSA-N 266.335 3.890 30 20 CHED C[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCCO1 594500797 SZXCPUQXRUWKCI-WMLDXEAASA-N 286.419 3.535 30 20 CHED CCCCCCCCC(=O)N(CC)C[C@@H]1CCOC1 915707569 SXZWPHYYMMOTOH-HNNXBMFYSA-N 269.429 3.622 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)CCc1ccc(C#N)cc1 595285444 YVMWHQBHVFRSGL-CQSZACIVSA-N 282.362 3.933 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cccc(O)c2)c1 743538252 KJEJXCYVLMGSIC-KTKRTIGZSA-N 268.312 3.687 30 20 CHED C[C@H](CC#N)N(C)c1ccc(-c2ccc(Cl)s2)nn1 593465105 MJZFDFBYNRCPIT-SECBINFHSA-N 292.795 3.597 30 20 CHED Cc1nocc1CS[C@@H](C)c1cccc(C#N)c1 596358591 XYERFCHSNIINMX-NSHDSACASA-N 258.346 3.849 30 20 CHED C=C(C)COC(=O)[C@H](C)Sc1ccc(Cl)cc1 916594270 CJBKOVHUDNEXJA-JTQLQIEISA-N 270.781 3.940 30 20 CHED C=CCc1ccc(OC(=O)[C@@H](C)c2ccco2)c(OC)c1 741520149 FCNGRFAZSDNDIK-LBPRGKRZSA-N 286.327 3.726 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc2nc(O)oc2c1 671763736 GDQJRYOSZTTXHV-PWSUYJOCSA-N 260.337 3.539 30 20 CHED N#Cc1cnnc(Oc2ccc(OC3CCCCC3)cc2)c1 596112856 GXYRGXQUGSRELU-UHFFFAOYSA-N 295.342 3.852 30 20 CHED CC(C)C[C@H](NC(=O)N1CCC[C@H](C#N)C1)c1ccccc1 913909752 JZDAAZBDJRCXDF-WBVHZDCISA-N 299.418 3.719 30 20 CHED C[C@H](N(C)Cn1ccc(-c2ccc(C#N)cc2)n1)C(C)(C)C 744129141 BTPVAOHIYXKUBJ-AWEZNQCLSA-N 296.418 3.746 30 20 CHED C=CCNC(=S)N(CCCC)[C@H](C)CCCC 840761109 QMZSAOGJLXICQS-CYBMUJFWSA-N 256.459 3.728 30 20 CHED COc1cccc2cc(CNCC(C)(C)CCC#N)oc12 742369560 KTWFBJJVMBCASF-UHFFFAOYSA-N 286.375 3.861 30 20 CHED CCCCCCCCCNC(=O)c1c(C)cc(C)nc1O 746116718 OVQNEFHBRNYHQE-UHFFFAOYSA-N 292.423 3.884 30 20 CHED Cc1ncsc1/C=C\C(=O)c1ccc(-n2cccn2)cc1 742431560 KAVFNKSFZOBPFJ-FPLPWBNLSA-N 295.367 3.533 30 20 CHED CCc1ccc(-c2ccc(C(=O)O[C@@H](C)CC#N)o2)cc1 744134367 CJZCEKCPJGDMKW-LBPRGKRZSA-N 283.327 3.968 30 20 CHED CC(C)(C#N)CNc1c(C#N)cnc2c(Cl)cccc12 591929682 VQCMVCIONVLOMD-UHFFFAOYSA-N 284.750 3.722 30 20 CHED CC1(C)CCc2sc(NC(=O)CCCCCC#N)nc21 591520304 LWUFDRHIEXQMTR-UHFFFAOYSA-N 291.420 3.779 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(C)nn1C 840888108 YPMMDOAEXVEIAI-WBVHZDCISA-N 283.419 3.567 30 20 CHED C=C[C@@H](C)ON=C(C)[C@H](C)c1ccc(OC)c(OC)c1 844624976 KMSNNCKFPGPNCK-NEPJUHHUSA-N 277.364 3.774 30 20 CHED N#CCCCCOC(=O)C1(c2cccc(F)c2)CCCC1 912958766 HHYNKSARPKPHPX-UHFFFAOYSA-N 289.350 3.875 30 20 CHED N#Cc1cccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)c1 592982946 CPNMCIJIJKJUJF-INIZCTEOSA-N 297.329 3.922 30 20 CHED Cc1ccc(C2(C(=O)N3CCC(CC#N)CC3)CCC2)cc1 591777717 LRTNWLVPEHUJGG-UHFFFAOYSA-N 296.414 3.569 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 597042746 GRIBZGAAGADLEL-LSDHHAIUSA-N 292.810 3.888 30 20 CHED CC(C)(C#N)Cc1cccc(-c2ccc([N+](=O)[O-])nc2)c1 596637116 GPRWRFQELXJUTG-UHFFFAOYSA-N 281.315 3.749 30 20 CHED C=CCCCC(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 748240890 UXJTVJLUBBZMOQ-UHFFFAOYSA-N 289.375 3.522 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@H](CC)C2)c1 740768425 KVDAZTLDCSIWPA-GOEBONIOSA-N 286.444 3.923 30 20 CHED COc1ccccc1CC(C)=NNc1nc2ccccc2[nH]1 915915535 ACQFNOJKPRSIBJ-UHFFFAOYSA-N 294.358 3.602 30 20 CHED C#CC1CCN(C/C(C)=C\c2ccccc2COC)CC1 843426660 FQTNNNHKQBDUFS-SSZFMOIBSA-N 283.415 3.582 30 20 CHED CCCCCCCCOC(=O)c1cnc(C)s1 748882806 OOMWTWNVUBTGBC-UHFFFAOYSA-N 255.383 3.969 30 20 CHED COCCOc1cccc(-c2ccc(C)c(CC#N)c2)c1 592983178 DSNDERUDFHCOOW-UHFFFAOYSA-N 281.355 3.753 30 20 CHED Cc1ccc2c(C=NNc3cccc(C(=O)O)c3)c[nH]c2c1 917530983 MMZUDCQVIFZDPA-UHFFFAOYSA-N 293.326 3.621 30 20 CHED CCOc1ccccc1C=NOCCOc1ccccc1 849812560 BILSDJFGFBJKTD-UHFFFAOYSA-N 285.343 3.515 30 20 CHED C=C(Cl)CNC(=O)c1ccc(Oc2ccccc2)o1 748713569 PVSSNGBIHQMZAM-UHFFFAOYSA-N 277.707 3.554 30 20 CHED CCCCCCCCN1CCC[C@H]([C@@H]2C[C@@H](N)CCO2)C1 846223351 PWOQLAAVNYMSPC-BZSNNMDCSA-N 296.499 3.565 30 20 CHED CC[C@H](C#N)C(=O)N(CC(C)C)c1cccc(Cl)c1 593739328 YJXCISSPKSLSKT-GFCCVEGCSA-N 278.783 3.879 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 598299188 FAZCJWBHVRUVJK-ARFHVFGLSA-N 298.430 3.774 30 20 CHED CC[C@@H](C)CCNC(=O)c1ccc(C(C)(C)C#N)cc1 597976389 AGVRNIJFYQUOPQ-CYBMUJFWSA-N 272.392 3.654 30 20 CHED N#Cc1cccc(C=NNc2cccc(Cl)c2F)c1 921138025 ZYOVAMNQJLAMFN-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H]1CCCC[C@H]1F 847712750 KTJBWYSLLURYFN-APHBMKBZSA-N 289.350 3.561 30 20 CHED CCOc1cc(N[C@H](C)CC(C)(C)C#N)ccc1OC 925747663 VZRUFPLDKSMBEJ-GFCCVEGCSA-N 276.380 3.834 30 20 CHED C=CCCN(C)C(=O)c1ccc(Oc2ccccc2)cn1 685049434 MTHIJPIQEIWBCT-UHFFFAOYSA-N 282.343 3.522 30 20 CHED C#CCCCCCC(=O)Oc1cccc(OC2CC2)c1 851348088 MAYINAHQKPGAMI-UHFFFAOYSA-N 272.344 3.717 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1c(F)cccc1F 750397841 SEWNZNFRMKBEKS-MRVPVSSYSA-N 293.294 3.816 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](CC1CCC1)c1ccccc1 753265367 RODTWNBRYGXUPU-DLBZAZTESA-N 284.403 3.629 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(F)cc1F 920383126 ASGDQHHCJQRNCN-UHFFFAOYSA-N 264.250 3.940 30 20 CHED C=CC(C)(C)CCOC(=O)[C@H](C)c1c(C)noc1C 851299444 LZTYHRDWNBLQRQ-SNVBAGLBSA-N 265.353 3.540 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1cc(SC)oc1C 850973042 LCIRTJDFLXLBBJ-OAHLLOKOSA-N 298.404 3.696 30 20 CHED C[C@H]1CC(=NNC2CCOCC2)C[C@H](c2ccccc2)C1 757599807 WSSKZLPAZQIVGM-GDBMZVCRSA-N 286.419 3.715 30 20 CHED C=C(Cl)COC(=O)c1ccc(CN2CCCCC2)cc1 927475846 MMPGIFILTRCSGI-UHFFFAOYSA-N 293.794 3.582 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)C1CC2(CC2)C1 857628254 RNMXCMRZQDAVFZ-UHFFFAOYSA-N 276.339 3.840 30 20 CHED C[C@H](NN=C1CCOc2c(F)cccc21)c1ccccc1 921259698 GUFLTHYDCRJLJO-LBPRGKRZSA-N 284.334 3.663 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1csc(C)n1 920382867 QATWTGJIMFLLPM-SNVBAGLBSA-N 259.378 3.526 30 20 CHED C=C[C@H](OC(=O)CC(C)(C)CC(C)=O)c1ccccc1 851452966 ZHGQWKWZVYIYHK-HNNXBMFYSA-N 274.360 3.852 30 20 CHED C#CC[C@@H](NC(=O)N(CCC(C)C)C1CC1)c1ccccc1 757759467 CZBMODLDASZCMK-GOSISDBHSA-N 298.430 3.971 30 20 CHED C#CC[C@H](NC(=O)Nc1ccc(C)cc1)c1ccccc1 756921225 HEKFQRLQKQOJTL-KRWDZBQOSA-N 278.355 3.881 30 20 CHED C=C[C@@H](OC(=O)C[C@@H](OCC)C(=C)C)c1ccccc1 851452873 XTFWIBWLUKVPHA-HZPDHXFCSA-N 274.360 3.828 30 20 CHED C=CCC1(C(=O)OCc2ccnc(C)c2)CCCC1 856937023 BLPKUQIUUDUJLW-UHFFFAOYSA-N 259.349 3.570 30 20 CHED C#CC[C@H](NCc1ccc(F)cc1F)c1ccccc1 756995025 CBSPYGKJZFKFIW-KRWDZBQOSA-N 271.310 3.819 30 20 CHED C[C@@H](COC(=O)c1cc(C#N)cs1)c1ccccc1 752587043 JZTSXEMSKOWBSE-NSHDSACASA-N 271.341 3.580 30 20 CHED C#CC[C@@H](Nc1nnc(C2CC2)s1)c1ccccc1 756956980 HWFLBEUVCKPGCR-CYBMUJFWSA-N 269.373 3.592 30 20 CHED Cc1ccc(CN(C)CCCCC2(C#N)CCC2)nc1 930615032 QFEXUSMLPJTHHS-UHFFFAOYSA-N 271.408 3.686 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](C)c1ccccc1Cl 753207892 RBAWMGKGJMHHDG-NEPJUHHUSA-N 278.783 3.502 30 20 CHED C=CCN(C(=O)Nc1ccc(C(F)F)cc1)C1CC1 933104095 PHLIYYDWOFGFSV-UHFFFAOYSA-N 266.291 3.807 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccccc1SCc1ccco1 767254412 HEVJSNQBELQGAJ-ZDUSSCGKSA-N 299.395 3.666 30 20 CHED C#CCC(C)(C)C(=O)NCCc1ccc(C(C)(C)C)cc1 767073469 ZZJOZUWDDDVNBD-UHFFFAOYSA-N 285.431 3.692 30 20 CHED CC(=NNc1c(F)cccc1Cl)C1CCOCC1 769829640 GMCIJIRUGPLGCU-UHFFFAOYSA-N 270.735 3.694 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(-c2nnc(C)o2)c1 933568850 FUQKPFQAWQHWSW-GFCCVEGCSA-N 285.347 3.586 30 20 CHED CC(Cc1ccncc1)=NNc1ccc2ccccc2n1 767745848 BJVVUOZWAGHWLP-UHFFFAOYSA-N 276.343 3.660 30 20 CHED FC(F)(F)CON=Cc1ccc(Cl)c2cccnc12 764847304 ZCESFMOXQRTLFH-UHFFFAOYSA-N 288.656 3.801 30 20 CHED Cc1ccnc(NN=C2CCCOc3c(C)cc(C)cc32)c1 763178329 DSSUUWBIVAYIIZ-UHFFFAOYSA-N 295.386 3.996 30 20 CHED Cc1ccc(C(F)(F)C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 766580896 DWXZECIFFSTHSC-OAHLLOKOSA-N 294.345 3.531 30 20 CHED C[C@@H](NN=Cc1cnc(C2CC2)s1)c1ccccc1 761813385 WCPHZRVLYMARPW-LLVKDONJSA-N 271.389 3.705 30 20 CHED C#CCCN(CC=C)Cc1cc(Br)ccc1F 760821780 RKQOIJAUAIQVIF-UHFFFAOYSA-N 296.183 3.600 30 20 CHED Cc1ccc(NN=Cc2cccc(-n3cccn3)c2)cc1 760216037 NQPPJEALUAYVMH-UHFFFAOYSA-N 276.343 3.627 30 20 CHED Cc1ccc(CCC(=O)OCC2(C#N)CCC2)cc1Cl 768096038 AXCLNAYVNVCHQN-UHFFFAOYSA-N 291.778 3.818 30 20 CHED COc1cc(CNc2cccc3oc(C)nc23)ccc1C#N 864014924 WEQUQVFVFCCCHR-UHFFFAOYSA-N 293.326 3.629 30 20 CHED C=CCCCCN[C@H](C)c1cc(F)cc(F)c1O 769990580 URQNXQNQXQYCHH-SNVBAGLBSA-N 255.308 3.677 30 20 CHED CCCCCCCCC(=O)OCc1cncs1 761140928 KRENOKAITCFTJS-UHFFFAOYSA-N 255.383 3.937 30 20 CHED CCC(=NNc1nc2ccccc2cc1C)c1nccn1C 776783904 YOMVHHDKFZLGMD-UHFFFAOYSA-N 293.374 3.503 30 20 CHED CS[C@@H]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)C1 1116650576 BDCPCNDFYSMUOH-LSDHHAIUSA-N 294.851 3.928 30 20 CHED C=C(C)CN1CCC(c2ccc(N(C)C)cc2)CC1 775883955 GPVQGKIOTBKKSG-UHFFFAOYSA-N 258.409 3.508 30 20 CHED C=CCC(F)(F)C(=O)N(c1cccc(C#N)c1)C1CCC1 1119488185 VGLZKTMYBIFMSH-UHFFFAOYSA-N 290.313 3.655 30 20 CHED COCc1cccc(C=NN[C@@H]2CCCCC2(C)C)c1 773127233 ZEQYXCUHIGCJBQ-MRXNPFEDSA-N 274.408 3.725 30 20 CHED C#CCOc1ccccc1N=Cc1cccc(OCC)c1O 773905814 PMYJPBYOBRMGOB-UHFFFAOYSA-N 295.338 3.554 30 20 CHED C=CCSc1ccccc1C(=O)OCCOC(C)C 777075542 GSDBJVHKVYZORQ-UHFFFAOYSA-N 280.389 3.547 30 20 CHED C=CCNC(=S)N[C@H](C)C1(c2ccccc2)CCCC1 774256799 OFYSAQSPZJMEST-CQSZACIVSA-N 288.460 3.537 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(C#N)cc1F 776189464 GNWMYLPVCSBIGD-WAYWQWQTSA-N 280.302 3.551 30 20 CHED N#Cc1cccc(COC(=O)/C=C/c2cccs2)c1F 774882731 JOYQJHJHQUURFY-VOTSOKGWSA-N 287.315 3.515 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCC[C@H](C(C)C)C1 779904171 VRGLPAHOQDDTSN-HOTGVXAUSA-N 263.425 3.901 30 20 CHED CCCCCCCCCNC(=O)NC[C@@H]1CCO[C@H](C)C1 770819500 NEINGIONDHCUJJ-HZPDHXFCSA-N 298.471 3.851 30 20 CHED CC[C@H](C)[C@H](C(=O)OCC1(C#N)CC1)c1ccccc1 775826181 FJWSXBUQLPLQPN-ZFWWWQNUSA-N 271.360 3.663 30 20 CHED C=C(CC(C)C)C(=O)N1CCc2c([nH]c3ccccc23)C1 1123775110 QAMPJISAVUGUSI-UHFFFAOYSA-N 282.387 3.655 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1CSc2ccccc21 1123572498 UBCSKQMLTDXGJU-CYBMUJFWSA-N 261.390 3.552 30 20 CHED Cc1ccccc1/C=C1\CC(=O)Nc2ccccc2C1=O 774145796 QUDQTNVRXFALQG-GXDHUFHOSA-N 277.323 3.604 30 20 CHED CCCCCCCC(=O)O[C@@H]1CCc2cccnc21 789684635 YPHMEPLQPXIANA-CQSZACIVSA-N 261.365 3.973 30 20 CHED CC(C)(C)CCNN=Cc1ccc(Cl)cc1F 783523090 BKJOIMSTGGLGPW-UHFFFAOYSA-N 256.752 3.839 30 20 CHED N#Cc1ccc(COC(=O)/C=C/c2ccco2)c(Cl)c1 784189200 XYOFPGZBQXCTAE-AATRIKPKSA-N 287.702 3.561 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1ccc(F)cc1F 782420145 VYFNVPXRPMUNNR-LLVKDONJSA-N 282.359 3.702 30 20 CHED COc1cc(C#N)ccc1COC(=O)C1(C)CCCCC1 781269701 YDZHWMRXHBKLJS-UHFFFAOYSA-N 287.359 3.580 30 20 CHED N#Cc1ccc(C(=O)OCc2cc(Cl)ccc2F)s1 787725332 BLNRUKYBAGJJRX-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CC1(C)[C@H](NCc2ccc(C#N)cn2)C[C@@H]1c1ccccc1 783295116 ZSTBERSLZUUBOZ-QZTJIDSGSA-N 291.398 3.625 30 20 CHED C=CC[C@H](C)NC(=S)Nc1ccc(Br)cc1 783740957 XMFSAURXNXJIMC-VIFPVBQESA-N 299.237 3.700 30 20 CHED CC(=NOC[C@H]1CCOC1)c1oc2ccccc2c1C 788032606 UZVCDZUGKNXATR-ZDUSSCGKSA-N 273.332 3.518 30 20 CHED C[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1F 783582287 IXHNWAVIPCXLQS-GFCCVEGCSA-N 277.339 3.802 30 20 CHED CSCC(C)(C)NCc1cccc(OCCCC#N)c1 898305783 RNSJWBVOIPIPMT-UHFFFAOYSA-N 292.448 3.600 30 20 CHED CCC(=O)N1CCc2ccc(N[C@@H](C)CC(C)(C)C#N)cc21 897767193 NZMHTCGUWABPFX-ZDUSSCGKSA-N 299.418 3.726 30 20 CHED Clc1cncnc1NN=CCC[C@@H]1C[C@H]2CC[C@H]1C2 780280979 XFXJZKCCHGIKIW-UTUOFQBUSA-N 278.787 3.744 30 20 CHED C=C(C)CN[C@H](C)c1ccccc1Br 88162654 QDDWCYVYXJZJNZ-SNVBAGLBSA-N 254.171 3.676 30 20 CHED CSc1ccc(CN(C)Cc2cccc(C#N)c2)o1 893930742 GRTZMQBPNMRHDF-UHFFFAOYSA-N 272.373 3.505 30 20 CHED C=C1CC(c2noc(-c3ccnc(SCC)c3)n2)C1 896882264 TWTUALSSMDXRTD-UHFFFAOYSA-N 273.361 3.677 30 20 CHED COc1ccc(Br)cc1NCC1(CC#N)CC1 88249802 WSXUPMBCNBOMGP-UHFFFAOYSA-N 295.180 3.563 30 20 CHED N#Cc1ccc(CNc2cc(C3CC3)nc(C3CC3)n2)cc1 891868423 FZONIFGZHUBYCU-UHFFFAOYSA-N 290.370 3.715 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)Nc1sccc1C#N 1207287118 QBYZRFSLXOBFBC-SCVCMEIPSA-N 277.393 3.566 30 20 CHED C#C[C@@H](CCC)NC(=O)C(C)(C)Cc1cccc(Cl)c1 791745883 SGVZDZQGXGEKOS-HNNXBMFYSA-N 291.822 3.827 30 20 CHED CC(C)Nc1ccc(-c2noc(CCCCCC#N)n2)cn1 896959755 BWODJPDODBKFHL-UHFFFAOYSA-N 299.378 3.578 30 20 CHED COc1cc(C#N)cc(OCc2sccc2Cl)c1 394400617 BKGWTRQVRTUHAK-UHFFFAOYSA-N 279.748 3.861 30 20 CHED N#Cc1cnccc1/C=C/c1cc(Cl)ccc1[N+](=O)[O-] 794712477 IZMLZYAXVSDGKS-OWOJBTEDSA-N 285.690 3.685 30 20 CHED CC(C)c1ccc(CC=NNc2ncccc2F)cc1 794993222 JUDQTPKAZVXVLX-UHFFFAOYSA-N 271.339 3.985 30 20 CHED C=CCOc1ccc(CN[C@H]2CC[C@@H]2C2CC2)cc1 554094421 DWZQFLDYFJAANO-SJORKVTESA-N 257.377 3.530 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2ccnc(F)c2)c1 794722976 ZSVDJPHFYIHGDA-ONEGZZNKSA-N 255.292 3.734 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc(F)cc1F 796893787 RCOZSEVQEJBDMC-XPTSAGLGSA-N 267.275 3.509 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 797240350 YSHFLVUGYSONEP-IAQYHMDHSA-N 289.350 3.707 30 20 CHED C[C@H]1CSCC1=NNc1ncnc2c1oc1ccccc12 794887118 RSEHMHLCLJCLMB-VIFPVBQESA-N 298.371 3.527 30 20 CHED C=CCCCCC[C@H](C)NCC1(CO)CCCC1 793559192 YYDKSSUVKRGIHT-HNNXBMFYSA-N 253.430 3.654 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1C#N 799296005 GIHXEPORSPHLSF-UHFFFAOYSA-N 295.729 3.644 30 20 CHED CC(=NNCc1cccc(Cl)c1Cl)c1ccc[nH]1 790180432 FOWFZOHKZSTZDF-UHFFFAOYSA-N 282.174 3.835 30 20 CHED C=CCC[C@H](NCc1ccc(C#N)cc1)c1ccco1 796697163 UXJXWNVQIAQIEY-INIZCTEOSA-N 266.344 3.948 30 20 CHED CSc1ccc(C(C)=NNc2cncnc2)c(Cl)c1 794977945 DSZYYKZEKFRKHE-UHFFFAOYSA-N 292.795 3.688 30 20 CHED C=CC[C@@H](CCc1ccccc1)OC(=O)c1ccc(C#N)[nH]1 797565096 TXSCLVOFBLPDMM-INIZCTEOSA-N 294.354 3.621 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NO[C@H]2CCCCO2)C1 799111957 ODZBJTYZQGMWDF-HOCLYGCPSA-N 288.391 3.947 30 20 CHED C[C@H](NN=Cc1cccc(OCCCC#N)c1)C(C)(C)C 793115979 QOLJYKFESNNLRB-AWEZNQCLSA-N 287.407 3.727 30 20 CHED C#CCN(C(=O)Cc1ccccc1Cl)C1CCCCC1 688830512 FBZNLXOVDWISCU-UHFFFAOYSA-N 289.806 3.677 30 20 CHED Cc1sccc1CN[C@H](C)c1cccc(C#N)c1 590186849 LQAIRHVQPMWUBT-LLVKDONJSA-N 256.374 3.779 30 20 CHED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1nccs1 80263172 WUNXFDASIRNNBP-FZMZJTMJSA-N 271.389 3.817 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CSc2ccccc21 92274876 LPGCHFWRMRQQJW-LLVKDONJSA-N 284.359 3.999 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccc(CCC)cc1 1318065581 WTXBLFIQMCWVSL-MRXNPFEDSA-N 256.798 3.640 30 20 CHED Cc1nc(NCC(C)(C)C2CCCC2)ccc1C#N 1612144797 DLJRLWCVKANJDS-UHFFFAOYSA-N 257.381 3.890 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](N=c2cc[nH]cc2C#N)CC1 1612261003 BYGHSRDAARAJBY-LSDHHAIUSA-N 271.408 3.782 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccnc(Cc2ccccc2)n1 1324395837 OJPWPESQUPHEOB-GOSISDBHSA-N 295.386 3.608 30 20 CHED CC(=NNCc1ccc(F)cc1)c1ccc(F)cc1F 1323961481 DJUUWTYHZGMPRN-UHFFFAOYSA-N 278.277 3.618 30 20 CHED CCN(Cc1ccccc1F)C(=O)c1cccc(C#N)c1C 1321395285 DCJUAYUYYBWBGW-UHFFFAOYSA-N 296.345 3.668 30 20 CHED O=C(CC#Cc1ccccc1)NCC1CCCCCC1 1325045141 AIYGHLYDPVHQJY-UHFFFAOYSA-N 269.388 3.515 30 20 CHED N#Cc1c(F)cccc1Oc1cnc(F)cc1Cl 1326474043 BQXAGNLVXYNGPG-UHFFFAOYSA-N 266.634 3.677 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Cn2cccc2)cc1 1325138567 BTEUDEAKOAZJOG-KRWDZBQOSA-N 282.387 3.621 30 20 CHED Cc1cc(F)cc(-c2nnc(-c3ccc(C#N)cc3)o2)c1 1324099815 JWPSYPRAFNQQBZ-UHFFFAOYSA-N 279.274 3.723 30 20 CHED N#Cc1ccnc(/C=C/C=C/c2ccc(F)cc2F)c1 1326683348 BQNXWHDFFHJUFI-ZPUQHVIOSA-N 268.266 3.958 30 20 CHED CSc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(C)C)c1 1975549247 LMSJBIMWYVBHNE-UHFFFAOYSA-N 292.253 3.831 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)n1 1185188752 VZXAOAFLTXZCBS-LJIGWXMPSA-N 281.403 3.748 30 20 CHED CN(C)c1cccc(Cl)c1CN1CCC[C@H](CC#N)C1 1330838765 DRFIRDGJWYTIGZ-CYBMUJFWSA-N 291.826 3.532 30 20 CHED CC(F)(F)CCC(=O)N(c1cccc(C#N)c1)C1CCC1 1334259398 DOULQIQDBTVDER-UHFFFAOYSA-N 292.329 3.879 30 20 CHED C=CCC(C)(C)CNC(=O)c1oc(C2CC2)nc1C(F)F 1338184294 OHZRPUGDQXFKMD-UHFFFAOYSA-N 298.333 3.822 30 20 CHED N#Cc1cccc(C2(c3nnc(CC4CCCC4)o3)CC2)c1 1257931406 UVBONXMUDPPVAO-UHFFFAOYSA-N 293.370 3.754 30 20 CHED Cc1sc(Cl)nc1C(=O)OCC(C)(C)CCC#N 1343423133 FDNAYSSQBJXFOV-UHFFFAOYSA-N 286.784 3.592 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(C#N)c2)CC1 1435979654 WHBJDNBXWDZQLX-NVXWUHKLSA-N 284.403 3.893 30 20 CHED Cc1cc([C@H](C)NC(=O)[C@@H](CC#N)c2ccccc2)c(C)o1 1351824588 OMQUWJFRKLKHQZ-BBRMVZONSA-N 296.370 3.771 30 20 CHED N#CC[C@H](OC(=O)[C@@H](c1ccccc1)C1CC1)c1ccco1 1350311059 DWAUBTMKZGHPGL-IRXDYDNUSA-N 295.338 3.971 30 20 CHED CC[C@@H](NC(=O)c1ccsc1C#N)C1CCCCC1 1434970185 XZSNBLXDMYODRA-CYBMUJFWSA-N 276.405 3.708 30 20 CHED CC(C)CCC(=O)N(c1cccc(C#N)c1)C1CCC1 1353523926 WNCFYVLOWYAYEU-UHFFFAOYSA-N 270.376 3.880 30 20 CHED CCC(CC)CN(CC)C(=O)[C@@H](CC#N)c1ccccc1 1355094500 IKCGFCYBWXUASK-KRWDZBQOSA-N 286.419 3.969 30 20 CHED Cc1ccc(COC(=O)c2cc(C#N)ccc2F)cc1F 1458616890 AQNLIMQZEDYEDY-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1cc(N2CCCC3(CCCCC3)C2)ncc1C#N 1458162328 NNWLKECYXKMCKY-UHFFFAOYSA-N 269.392 3.812 30 20 CHED Cc1ccc(N(C)C(=O)[C@@H](CC#N)c2ccccc2)c(F)c1 1525447900 YTICWHUPGCOAEF-HNNXBMFYSA-N 296.345 3.794 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C#N)ccc1F)C(C)C 1528040566 MQASAMAWDCSVFK-GFCCVEGCSA-N 262.328 3.708 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2coc3ccccc23)c1 1462172007 XTMMAWAGRWFDBQ-UHFFFAOYSA-N 280.258 3.696 30 20 CHED N#Cc1cccc([C@H](O)CN2CCC[C@H]2C2CCCCC2)c1 1473112042 YGYHCNWVQMLXKC-RBUKOAKNSA-N 298.430 3.636 30 20 CHED C#CCSCCNC(c1ccccc1)c1ccccc1 226619174 DNGKTLYKVLPAKN-UHFFFAOYSA-N 281.424 3.732 30 20 CHED C/C=C\c1ccc(Oc2cc(C#N)nc(CC)n2)c(OC)c1 1472636697 QFILKDNGLHYMPJ-XQRVVYSFSA-N 295.342 3.745 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1c1ccnc(C#N)c1 1472883725 FMWAHPZZGKSQNU-RDTXWAMCSA-N 277.371 3.726 30 20 CHED Cc1cccc([C@H](C)CNc2ncc(C#N)cc2F)c1 1559114211 LYDBVQHOGNPTQL-GFCCVEGCSA-N 269.323 3.616 30 20 CHED CSc1ccc(Cl)c(NC(=O)c2c[nH]c(C#N)c2)c1 1641327681 MSHQNQFWDLVYGU-UHFFFAOYSA-N 291.763 3.514 30 20 CHED CCc1cc(Oc2ccc(C#N)cc2C)nc(CC)n1 1650712674 XIFWQRSCLXZECS-UHFFFAOYSA-N 267.332 3.574 30 20 CHED CC[C@H](C)N(CC)Cc1cc(C#N)ccc1Br 1654210904 AHSTZDQSOAARLT-NSHDSACASA-N 295.224 3.941 30 20 CHED CC[C@H](CNc1ncc(C#N)cc1F)Oc1cccc(C)c1 1654988536 WHHBAANNGNBAMV-CQSZACIVSA-N 299.349 3.670 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1nc(C#N)c(Cl)s1 1651561864 CYHBEIMIBMPMDZ-HTQZYQBOSA-N 257.790 3.905 30 20 CHED C[C@@H](Nc1c(C#N)cnc2c(Cl)cccc12)c1ncc[nH]1 1651876156 UESBBOLYAADWHW-SECBINFHSA-N 297.749 3.656 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 122231528 UOHTXKWHQDRCEM-SNVBAGLBSA-N 270.298 3.906 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2cc(C)sc2C)n1 231898596 ZVPSFMHHSRVCII-SNVBAGLBSA-N 272.377 3.508 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(F)cc(C#N)c1 1679884803 BATSNUWPECEAGW-NHYWBVRUSA-N 289.354 3.740 30 20 CHED Cc1ccc(CN(C)Cc2cc(C#N)ccc2F)c(C)c1 11437929 DRGHKJKZDJSIFD-UHFFFAOYSA-N 282.362 3.946 30 20 CHED COc1ccc(N(CCCC#N)Cc2ccco2)cc1F 150866239 ZUXNSFTVPBZQDM-UHFFFAOYSA-N 288.322 3.738 30 20 CHED C[C@H]1C[C@H](N(C)CCCCC#N)CCN1Cc1ccccc1 157070883 QQFKYVGGBQEODY-PKOBYXMFSA-N 299.462 3.665 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(OC)c(Cl)c1 155650603 WUJCXEFSHQXXEK-LBPRGKRZSA-N 283.799 3.592 30 20 CHED CCCCc1ccc(OC[C@@H](C#N)CCC#N)cc1 157823183 VAAFZTVGPCCWHY-OAHLLOKOSA-N 256.349 3.852 30 20 CHED N#Cc1cccc(CN[C@H]2CCO[C@H](c3ccccc3)C2)c1 157438128 QZYHSNSCRUJTHP-OALUTQOASA-N 292.382 3.568 30 20 CHED N#CCCN(Cc1ccco1)Cc1coc2ccccc12 159631551 WRHPLLZVDFCPEH-UHFFFAOYSA-N 280.327 3.942 30 20 CHED C#Cc1cccc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 825226538 IYHFOLPWEUQWOE-CABCVRRESA-N 281.321 3.879 30 20 CHED N#Cc1ccc(CNc2ncccc2C(F)(F)F)cc1 37749673 ILKOKBWCQWAFHL-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)c1cncs1 165148735 DCNBJOAUEGLITN-GFCCVEGCSA-N 287.388 3.999 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2C2CCCC2)c(F)c1 44352391 YMBMKAICDQJVFT-QGZVFWFLSA-N 272.367 3.852 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](Nc2ccc(C#N)nn2)CC1 302531432 LKWOLXGPFIBKMC-QWHCGFSZSA-N 272.396 3.755 30 20 CHED C=CCC(C)(C)CNCc1occc1Br 310568422 NAZASBSSWZWUAV-UHFFFAOYSA-N 272.186 3.734 30 20 CHED COc1cc(F)cc(CNc2ccc(C#N)cc2Cl)c1 312264796 RIGOYSVCKYFLFX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCCCCN[C@H](C)c1cnn(-c2ccccc2)c1 312235525 BGTOFBFMJYMKRP-OAHLLOKOSA-N 269.392 3.879 30 20 CHED CO[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 312526868 IYZAJGQWOSRVCX-CYBMUJFWSA-N 286.297 3.660 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)C2(C#N)CCC2)CC1 408304527 YWBDRUXPBVDTJK-KGLIPLIRSA-N 276.424 3.791 30 20 CHED N#Cc1cc(F)c(N2CCC(C(F)(F)F)CC2)c(F)c1 78558510 ZLSALHCCQXZLPG-UHFFFAOYSA-N 290.235 3.615 30 20 CHED C=CCC[C@H](CO)N[C@H](CC)c1cccc(Cl)c1 321024461 OVOYKDFTEKYJHB-HUUCEWRRSA-N 267.800 3.708 30 20 CHED N#Cc1ccc(CNCc2ccccc2)cc1Cl 619748874 RFDKPJCZZSHQQW-UHFFFAOYSA-N 256.736 3.501 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccccc1F 88154190 UTITYZCEBAIMEG-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2Cl)[C@@H]2CCC[C@H]21 558992740 XMMXGCNWMMKJPZ-DGCLKSJQSA-N 275.783 3.622 30 20 CHED C=CCN(CCCOC(C)(C)C)Cc1ccccc1 674903580 YLHSKQAEXQVODA-UHFFFAOYSA-N 261.409 3.880 30 20 CHED C=C(C)CCN1CCC2(CCN(Cc3ccccc3)CC2)C1 485469035 SGPSXVUIBPVSMV-UHFFFAOYSA-N 298.474 3.941 30 20 CHED C=CCc1ccccc1OCC(=O)Nc1cccc(F)c1 1284748 JUXXGJULXGOUSE-UHFFFAOYSA-N 285.318 3.572 30 20 CHED CCCOc1cccc(NC(=O)C2(C#N)CCCCC2)c1 57387584 CIMUXFXCBTYSGW-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ccc(F)cc1C#N 104248888 RITDAOAWLPODDY-JTQLQIEISA-N 260.337 3.802 30 20 CHED C=CCN(CCCCn1ccnc1C)CCc1ccccc1 119597592 OLIJCEQHNSFOGS-UHFFFAOYSA-N 297.446 3.702 30 20 CHED N#CCCCCOC(=O)CCCc1c[nH]c2ccccc12 24952194 VYIZEWITONXAEL-UHFFFAOYSA-N 284.359 3.728 30 20 CHED CC[C@](C)(NCc1ccccc1C#N)c1nc(C)cs1 173944150 GPCAOQAOSXJHBV-INIZCTEOSA-N 285.416 3.738 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc1F 67427937 BJFKWJZCQZLCPI-RUDMXATFSA-N 295.313 3.933 30 20 CHED Cc1cccc(CC(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 170673453 GLKXYKDOCUWRTD-CQSZACIVSA-N 290.322 3.555 30 20 CHED C#Cc1ccc(N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)nc1 1262690507 CXFUUSHGPYEGKG-IAGOWNOFSA-N 296.345 3.534 30 20 CHED N#Cc1ccc(N2C[C@H]3CCC[C@@H](C3)C2)cc1Cl 302385716 QCOKPKQWJCHQFS-RYUDHWBXSA-N 260.768 3.838 30 20 CHED CCn1cc(C(=O)/C=C/c2ccccc2OC(C)C)cn1 65999919 OBGNYHDEHNZXKG-MDZDMXLPSA-N 284.359 3.586 30 20 CHED CC#CCOc1ccc(Br)c(Cl)c1 306181582 UYONRVLKEJGHFS-UHFFFAOYSA-N 259.530 3.505 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc2nc(C)sc2c1 69315824 PEDKQVZXDQFSAA-JTQLQIEISA-N 290.388 3.524 30 20 CHED CCCCCC[C@H](C)CC(=O)N(C)C1(C#N)CCC1 67911546 RULKEMDZGAFGCY-AWEZNQCLSA-N 264.413 3.888 30 20 CHED CCCN(CC#N)C(=O)Cc1ccc(-c2ccccc2)cc1 60542133 CQACXCMNGXEZME-UHFFFAOYSA-N 292.382 3.658 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)CCc1cccc(F)c1 173030388 ISPCAPNPOSECGX-CQSZACIVSA-N 275.367 3.595 30 20 CHED CCN(CC)c1ccc(CNc2cccc(C#N)n2)cc1F 301296557 XUIRTUPJVSBEHQ-UHFFFAOYSA-N 298.365 3.551 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(F)c(Cl)c1 178379073 LBVCOHDGBCJXEN-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66789071 RDDVPZOQUFGBFZ-UHFFFAOYSA-N 266.300 3.699 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2cnn(C(C)C)c2c1 172103447 KBWKBCMMGQLKMP-GFCCVEGCSA-N 286.379 3.703 30 20 CHED C=CCCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 68455088 JDEKASLIPQJYMO-LBPRGKRZSA-N 283.158 3.640 30 20 CHED C#Cc1cccc(NC(=O)CCCSC(C)(C)C)c1 128154354 WGKXELSVEOBJMI-UHFFFAOYSA-N 275.417 3.918 30 20 CHED O=C1/C(=C\c2ccc(O)cc2)Cc2cc(Cl)ccc21 172819577 QJGAOOKIZOHRIO-GHXNOFRVSA-N 270.715 3.868 30 20 CHED CC(C)(C)c1csc(CCNc2ccc(C#N)cc2)n1 301216811 YWEIKRMBYSIKLG-UHFFFAOYSA-N 285.416 3.967 30 20 CHED CC#CCCCC(=O)NCCc1cc(Cl)cc(Cl)c1 185289243 JVGLOGWTWFUHBP-UHFFFAOYSA-N 298.213 3.846 30 20 CHED N#Cc1ccc(CNCc2ccccc2C(F)(F)F)cc1 37505872 BPBSKUMKSWVBKR-UHFFFAOYSA-N 290.288 3.867 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H](C)c1cccc(Cl)c1 126820591 APJSGVZNUJIULD-GHMZBOCLSA-N 283.824 3.825 30 20 CHED CSc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1 213204709 YSYDZBUSTVCCBP-WDZFZDKYSA-N 294.379 3.932 30 20 CHED Cc1cc(OCc2nc(C)c(C)s2)ccc1C#N 434649340 XBCQKVUOMWSTIQ-UHFFFAOYSA-N 258.346 3.519 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CCCc1cccs1 502452466 WTYZGCUPMWRITR-OAHLLOKOSA-N 278.421 3.515 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@H](C#N)C(C)C 413414472 ZFCYFHBQGDMHKU-HUUCEWRRSA-N 264.413 3.647 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](SC)c1ccccc1 415537738 HXDPRKLWDYGXNL-HUUCEWRRSA-N 275.417 3.658 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCc1cccc(F)c1 78833699 JXMKSUJLLPNCRC-UHFFFAOYSA-N 295.239 3.723 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(C#N)cc1 73630596 XDRXNVSFOVUGJX-WMLDXEAASA-N 299.418 3.668 30 20 CHED CC[C@@H]1OCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 413460646 ZRFJVCUBGINNPU-OLZOCXBDSA-N 284.281 3.556 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1ccccc1 185026814 JRGNSZHDIYYKDS-MRXNPFEDSA-N 255.361 3.544 30 20 CHED C/C=C/C=C/C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187293935 KCGQMURXZYSKBA-BSWSSELBSA-N 274.408 3.734 30 20 CHED COc1cc(C#N)ccc1CSCc1ncc(C)s1 180011870 XKUJRBZRVISYBG-UHFFFAOYSA-N 290.413 3.765 30 20 CHED N#Cc1csc(CN(Cc2cccs2)C2CC2)c1 130262598 FVIYROXMVDTONB-UHFFFAOYSA-N 274.414 3.846 30 20 CHED C[C@@H](Oc1ccccc1NC(=O)CC#N)c1ccccc1 186544106 BACIKFWUJNUGRK-CYBMUJFWSA-N 280.327 3.679 30 20 CHED CCS[C@H](C(=O)OCc1ccc(C#N)cc1C)C(C)C 131604709 YHQMDCSUNYHHGN-HNNXBMFYSA-N 291.416 3.688 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)N(C)c1ccccc1C#N 508089450 SANKRZYEGXFRNV-CYBMUJFWSA-N 296.345 3.539 30 20 CHED C=CCN(Cc1ccccc1)Cc1c[nH]nc1C(C)(C)C 508542070 OGJYBJGBKQZIAD-UHFFFAOYSA-N 283.419 3.895 30 20 CHED C=CCN(C(=O)C1(Cc2cccc(Cl)c2)CC1)C1CC1 410664735 SOQHHZWSRBCHBO-UHFFFAOYSA-N 289.806 3.840 30 20 CHED C#CCCCCC(=O)N1c2ccccc2SC[C@@H]1C 181464377 QJOLIJGGHWQAJJ-ZDUSSCGKSA-N 273.401 3.707 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(Cl)ccc1C 44765223 NSGAJRNSNSPUOA-UHFFFAOYSA-N 264.756 3.917 30 20 CHED CC(C)(C)c1nnc(C/N=C(/O)C2[C@@H]3CCCC[C@@H]23)s1 329826247 CGDAXILFSLVEET-NXEZZACHSA-N 293.436 3.728 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)NC[C@H](C)C#N 84908913 LETYFSHIGNZXQI-SECBINFHSA-N 297.811 3.733 30 20 CHED C=C(C)CN1CCC(NC(=O)C(C)(C)CCCCC)CC1 84599913 OUVNBRCHWBJQPC-UHFFFAOYSA-N 294.483 3.750 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)c1nc2c(s1)CCC2 413397381 QHTVODQUKONHDD-VIFPVBQESA-N 287.363 3.816 30 20 CHED CCCN(CCC)C(=O)Nc1cc(C#N)ccc1C 194591663 WSCFFGHFTSEYEY-UHFFFAOYSA-N 259.353 3.521 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCc1ccc(C)s1 410128126 QAOQHWGMQHRGPA-CYBMUJFWSA-N 265.422 3.850 30 20 CHED CCN(Cc1c(C)noc1C)[C@@H](C)c1ccc(C#N)cc1 42741644 LWKWLIXDAWCPGB-ZDUSSCGKSA-N 283.375 3.746 30 20 CHED C#CCCCCNC(=O)Nc1c(C)cc(C)cc1C 133937533 KYGARHDIIZIHFV-UHFFFAOYSA-N 258.365 3.537 30 20 CHED O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccco1 130869361 MUVBJUIYTHIXGR-ONEGZZNKSA-N 290.702 3.600 30 20 CHED CC(=O)Nc1ccc(O[C@H](C)c2cccc(C#N)c2)cc1 190088658 LLOMRVBBNMJWRS-GFCCVEGCSA-N 280.327 3.657 30 20 CHED COC(=O)c1ccc(SCc2cccc(C#N)c2)cc1 42641733 VHEBTSHSOCMCJS-UHFFFAOYSA-N 283.352 3.637 30 20 CHED Cc1cc(/C(O)=N/C2(c3ccc(F)cc3)CCCC2)cnn1 329896114 KTRXDQRWSPEXRS-UHFFFAOYSA-N 299.349 3.698 30 20 CHED C=CCCC1(c2nc(-c3cccc(SC)n3)no2)CC1 420534328 YUCZBFMRTSTOPA-UHFFFAOYSA-N 287.388 3.851 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccsc2)cc1[N+](=O)[O-] 194615195 LKZUXLLBZJOALB-SNAWJCMRSA-N 273.313 3.861 30 20 CHED COc1ccc(F)cc1N[C@H](C#N)C1CCCCC1 131749875 MNVBYIYBQQANDU-CQSZACIVSA-N 262.328 3.719 30 20 CHED COc1ccc2occ(/C(O)=N/[C@H]3CC=CCC3)c2c1 328707537 LUTBZMYKKKWGGG-NSHDSACASA-N 271.316 3.855 30 20 CHED CCCCCC[C@@H](C)NC(=O)CCc1ccc(C#N)cc1 43506865 DZPXHKFJEYEHJA-OAHLLOKOSA-N 286.419 3.966 30 20 CHED C=CCC[C@@H](NCc1cc(C)cc(N)c1)c1ccco1 423476546 KKNJIYDPCANUOD-MRXNPFEDSA-N 270.376 3.967 30 20 CHED C[C@@H](SCc1nc(C2CC2)no1)c1cccc(C#N)c1 190787985 BGXVMKXACFXXFH-SNVBAGLBSA-N 285.372 3.813 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)o1 328841065 PEXGBSBNBORJCF-RWMBFGLXSA-N 276.380 3.819 30 20 CHED O/C(=N/CCc1cnc(C2CC2)nc1)C1CCCCCC1 328884685 YSKDZUAYCXBFHI-UHFFFAOYSA-N 287.407 3.823 30 20 CHED C#Cc1cccc(NCc2c(C3CC3)nc3sccn23)c1 130488456 SAFZVPJWBJAKDY-UHFFFAOYSA-N 293.395 3.867 30 20 CHED CC(C)SCCNc1nc(C(F)(F)F)ccc1C#N 286488213 RGNJLQLMGACMEJ-UHFFFAOYSA-N 289.326 3.526 30 20 CHED CCCCCCC[S@@](=O)Cc1nc(C(C)(C)C)no1 133047387 LTQVSGVPNASNCD-IBGZPJMESA-N 286.441 3.586 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)Nc1ncccc1C#N 80688104 MFTKJCXVHBYOPL-CHWSQXEVSA-N 251.333 3.557 30 20 CHED C[C@@H](NC(=O)CCCc1ccccc1)c1ccc(C#N)cc1 46579626 KSKZZZBENJPFKI-OAHLLOKOSA-N 292.382 3.758 30 20 CHED C#CCCNc1cc(Cl)c(OCC)c(Cl)c1 381490141 XFENFTCHXXEQBP-UHFFFAOYSA-N 258.148 3.827 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccc(OC)c(F)c2)no1 424340857 TXLBRSDGLZXMPL-UHFFFAOYSA-N 290.338 3.662 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCCc1cc(C(F)(F)F)ccn1 516168932 PCMBJWJWQCJHDL-VXGBXAGGSA-N 286.341 3.833 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)CC(C)(F)F 428347591 QZQGXKISTOFWHY-UHFFFAOYSA-N 293.766 3.961 30 20 CHED Cc1ccc(NCc2ccc(F)c(C#N)c2Cl)cn1 428871336 INSPKSFPTJAYLZ-UHFFFAOYSA-N 275.714 3.666 30 20 CHED Cc1cc2occ(/C(O)=N/C[C@H](O)C(C)(C)C)c2cc1C 331032242 UPVUGBNUKHHIMO-HNNXBMFYSA-N 289.375 3.761 30 20 CHED Cc1ccc(C(=O)N2CCC(CCC#N)CC2)c2c1CCC2 335500250 AUYWOVNZZKPXME-UHFFFAOYSA-N 296.414 3.640 30 20 CHED C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C1CCCCC1 424995176 KCVCHSDXTKUQBN-MAUKXSAKSA-N 298.430 3.844 30 20 CHED N#CCc1ccccc1NC(=O)c1cc2ccccc2o1 339170754 QBAGYRCEHOEALV-UHFFFAOYSA-N 276.295 3.751 30 20 CHED N#Cc1cccc(OC2CCN(CC3CCCCC3)CC2)c1 510519658 VIFSWCKHAMGZCX-UHFFFAOYSA-N 298.430 3.982 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)Cc1ccc(C)cc1 337709084 BPKIUSWBKRPEAX-UHFFFAOYSA-N 296.418 3.676 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)nc1C 420269528 FMOLNWKSCHLARY-GFCCVEGCSA-N 299.399 3.768 30 20 CHED C=C(C)C(C)(C)C(=O)N1Cc2cccc(Cl)c2C1 335096625 SIJRJYRVIFYZBU-UHFFFAOYSA-N 263.768 3.785 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 90398625 MAGOHCSWOKRKSQ-LBPRGKRZSA-N 297.345 3.751 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)c1ccc(Cl)s1 336154169 SHJXFOWCRPNCRT-ZETCQYMHSA-N 294.763 3.666 30 20 CHED C#CCN(Cc1ccc(F)cc1)CC(C)(C)CCC#N 92541699 MXKOWSBNPIKMEM-UHFFFAOYSA-N 272.367 3.591 30 20 CHED C=CCCC1(C(=O)NCc2ccc(CSC)cc2)CC1 343149783 MQZXZWGBDFSPLD-UHFFFAOYSA-N 289.444 3.912 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(C)cc1C 436282387 JCRRIWURXKNQJE-JZXOWHBKSA-N 273.420 3.935 30 20 CHED N#CCc1ccccc1C(=O)N1CC[C@@H](C2CCCCC2)C1 601668820 BYJMUMIUTRIDIF-QGZVFWFLSA-N 296.414 3.795 30 20 CHED CCc1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 345487508 RCARQEIUKBETKD-HJWRWDBZSA-N 292.342 3.671 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 248410890 DJDFGVMMZIMNQD-RRQGHBQHSA-N 282.387 3.710 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCc3ccccc32)c1 341374687 MNPBOJNTGLFAAH-AWEZNQCLSA-N 293.326 3.608 30 20 CHED Cc1cccc(CN(CC(C)C)C(=O)C(C)(C)C#N)c1 520101099 XZFYSSCBGJRVPJ-UHFFFAOYSA-N 272.392 3.529 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 435025785 FVVXRUNGGMSXRC-ZBFHGGJFSA-N 296.414 3.532 30 20 CHED C=CCN(CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 430092617 ASJBVQBWZVOKGQ-UHFFFAOYSA-N 286.272 3.746 30 20 CHED O=C(/C=C\c1cc(F)cc(C(F)(F)F)c1)c1cnccn1 255133935 DZZPHFJYDZOLBY-UPHRSURJSA-N 296.223 3.531 30 20 CHED N#Cc1ccccc1COc1cccc(CNC2CCC2)c1 343444904 IZOOIXXWIMJNQW-UHFFFAOYSA-N 292.382 3.779 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cncnc1-c1ccccc1 341621944 WFDBOEVNJDPSPH-CQSZACIVSA-N 295.386 3.618 30 20 CHED CCc1cccc(Nc2c(C#N)nnc3ccccc23)c1 525358923 NMLVOWSZWWLILS-UHFFFAOYSA-N 274.327 3.807 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccccc1C)C(C)C 522635212 AMLJKGGLZRTKDT-GDBMZVCRSA-N 274.408 3.956 30 20 CHED N#Cc1ccc(-c2ccc(OC[C@H]3CCOC3)cc2)cc1 525641894 KWCWAGBQJYGBRG-HNNXBMFYSA-N 279.339 3.641 30 20 CHED CC(=NOCc1ncc(C)o1)c1cc2ccccc2o1 255470796 IZAWUQGSJWQKNA-UHFFFAOYSA-N 270.288 3.670 30 20 CHED COc1ccc(-n2ccnc2S[C@@H](C#N)C2CC2)c(C)c1 601080508 QYHXHQWQIZEDOC-HNNXBMFYSA-N 299.399 3.584 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)c1ccco1 607475806 JJBLENIBBURGCK-ZDUSSCGKSA-N 287.334 3.737 30 20 CHED Cc1ccsc1CN(C)CC#Cc1ccc(F)cc1 448203127 LHUNAEONAAZPSZ-UHFFFAOYSA-N 273.376 3.679 30 20 CHED C[C@H]1[C@H](C)CCCN1C(=O)C[C@H](CC#N)c1ccccc1 356201894 IXXFLILKVXJDBF-VYDXJSESSA-N 284.403 3.721 30 20 CHED CC#CCNc1cccc(OCc2cccc(C#N)c2)c1 538415331 KNQNEIFDOPUKBD-UHFFFAOYSA-N 276.339 3.572 30 20 CHED CC[C@H](C)Oc1cc(C)ccc1CN[C@H]1CC[C@H](C#N)C1 442787267 VKISLUYEFRRASD-ZOBUZTSGSA-N 286.419 3.954 30 20 CHED C=CCC(CC=C)C(=O)Nc1nnc(C(C)(C)C)s1 268136834 BNLBJFLEFDJHAR-UHFFFAOYSA-N 279.409 3.543 30 20 CHED CC(C)(CCC#N)CNCCCc1cccs1 539857402 QMMAJWCPZHLIHM-UHFFFAOYSA-N 250.411 3.600 30 20 CHED C[C@@H](CN(C)C(=O)c1cccc(C#N)c1)C1CCCCC1 530041647 LWFHDZHVDCRHAX-AWEZNQCLSA-N 284.403 3.847 30 20 CHED C=CCCCC(=O)Nc1cnn(CCC(C)C)c1C 441580436 HXNRCMSLTPVWJH-UHFFFAOYSA-N 263.385 3.532 30 20 CHED CC(=O)c1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 359902232 QOJFATQFSUCKKR-GFCCVEGCSA-N 292.338 3.503 30 20 CHED Cc1ccc2[nH]c(C(=O)Nc3cc(C#N)ccc3C)cc2c1 531321306 AJYVYSRPQFRZMB-UHFFFAOYSA-N 289.338 3.909 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1c1ccccc1 449888443 NQMZLKACBDQLDB-IMJJTQAJSA-N 257.377 3.651 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1(CC)CC1 267527963 OXXMNXISXYPQOU-UHFFFAOYSA-N 261.340 3.531 30 20 CHED CSc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610364230 NNVPHDAVZFIMMA-GFCCVEGCSA-N 296.395 3.771 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H]1CCCCC)OCC 535189693 GRAPHLKXIUOWOO-HOTGVXAUSA-N 281.440 3.929 30 20 CHED CC(C)N(CCCN[C@H]1CCc2ccc(C#N)cc21)C(C)C 353250209 FJTJJBDZPDNNJS-IBGZPJMESA-N 299.462 3.644 30 20 CHED N#Cc1cccc(NC/C=C\c2ccc(F)cc2)c1 538862108 RRNBNONSEBLCOB-RQOWECAXSA-N 252.292 3.823 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccn(C)c1 268644719 SFSDMLOXGHGRAL-LBPRGKRZSA-N 299.399 3.672 30 20 CHED N#Cc1ccc(SCc2ccc(C(F)(F)F)cc2)nn1 619500350 OTCMHFAPAVBQFL-UHFFFAOYSA-N 295.289 3.659 30 20 CHED CC[C@@H](C)CCCCC(=O)N1CCC(CC#N)CC1 612319298 KPBXLDLBKVFWLW-CQSZACIVSA-N 264.413 3.745 30 20 CHED C[C@H](NCC#Cc1ccc(F)cc1)c1c(F)cccc1F 539233803 SBHNKPZLQAGIAA-LBPRGKRZSA-N 289.300 3.806 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CNc2ccccc2)CCCC1 450105861 QLHKZVVUBMJGEN-HNNXBMFYSA-N 286.419 3.740 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(F)c2)C1 617781335 KHBFCVYMOLPZOJ-LLVKDONJSA-N 281.758 3.907 30 20 CHED N#CCCN(Cc1ccco1)Cc1cscc1Cl 611251944 KBDNNVFQFYBSJW-UHFFFAOYSA-N 280.780 3.910 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@@](C)(C#N)CC 456855923 IWPKOQPAQKQLOC-IJEWVQPXSA-N 264.413 3.649 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)[C@H]1C 610588355 FBCAWNXVHVZVDJ-UWVGGRQHSA-N 287.313 3.619 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)C1CCSCC1 618804554 BANLOBSTAVWVST-SJCJKPOMSA-N 286.444 3.667 30 20 CHED C=CCC1(CN[C@H](C)c2cncs2)CCCC1 453347201 FDTUOGPLRKCCEX-GFCCVEGCSA-N 250.411 3.930 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCCSC1 360656134 GDWVCFVXKOGXPS-NVXWUHKLSA-N 286.444 3.811 30 20 CHED C#CCC1(C(=O)N[C@H](C)CCc2ccco2)CCCCC1 276254686 HXZRLHWMAMIVLL-OAHLLOKOSA-N 287.403 3.691 30 20 CHED Cc1ccccc1[C@H](NC(=O)CC(C)(C)C#N)C(C)C 278249826 BSSUITODQFHOBP-MRXNPFEDSA-N 272.392 3.748 30 20 CHED Cc1cc(OC(=O)C[C@@H](C)c2c(C)noc2C)ccc1C#N 278024363 TYGCYGRKQWKPNU-LLVKDONJSA-N 298.342 3.571 30 20 CHED C=CCN(C)C(=O)Nc1ccc(CSCC)cc1 455865536 SILXNDHMHXSCBE-UHFFFAOYSA-N 264.394 3.589 30 20 CHED CC[C@H](NC[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(C#N)cc1 365804358 DVDDRARUVNGMPS-IPMKNSEASA-N 298.430 3.804 30 20 CHED C=CCSc1ccccc1C(=O)N1CCCC2(CC2)C1 362415032 AGRUEDXUZUVTGS-UHFFFAOYSA-N 287.428 3.981 30 20 CHED N#Cc1ccc(SCC2(C#N)CCC2)c(Cl)c1 450875306 VWNMHSPBMXOALI-UHFFFAOYSA-N 262.765 3.998 30 20 CHED C=CC[C@H]1N(C(=O)c2ccnc(F)c2F)CCCC1(C)C 279953874 HTICEFRTOBCDIB-GFCCVEGCSA-N 294.345 3.567 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1nc2ccccc2n1C(C)C 276949721 QKKFHHKCQRJDOA-GOSISDBHSA-N 299.418 3.836 30 20 CHED CO[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)C12CCC2 453171575 MJSMOLNEDKLHRE-GVDBMIGSSA-N 284.403 3.579 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 540567086 WKQNXAVZZQKEEI-VIBAHUMZSA-N 298.430 3.759 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1CC)OCC 270066492 WECOZAGUDLZWBP-HNNXBMFYSA-N 261.365 3.559 30 20 CHED COc1ccc(C#N)cc1CN1CC(C)(C)[C@@H]2CCC[C@H]21 378830467 JRPXESFMILUKRB-HZPDHXFCSA-N 284.403 3.577 30 20 CHED C=CC[C@@H](CC)NC(=O)NC(C)(C)CC(C)(C)C 466376956 PZTPUANUBHUDBH-GFCCVEGCSA-N 254.418 3.855 30 20 CHED C=C[C@H](C)NC(=O)CCOc1ccccc1-c1ccccc1 465106323 DWTATVVTKXNVHC-HNNXBMFYSA-N 295.382 3.813 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@H](c2ccc(C)cc2C)C1 279712799 QEHSNQOHKNZNPP-INIZCTEOSA-N 283.415 3.669 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H]2c2ccccc2)c1C#N 542279853 OQGYNLJLQJXHDJ-HNNXBMFYSA-N 283.762 3.867 30 20 CHED N#CCCCOc1cccc(CN2CCC[C@H]2C2CC2)c1 371420557 ZKSSCEQVAWBTBM-SFHVURJKSA-N 284.403 3.744 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@]1(C)CC=CCC1 460057019 HONWJKZPUTUXEY-IBGZPJMESA-N 294.398 3.819 30 20 CHED CC[C@@H](NCCC(C)(C)C#N)c1ccc(OC)c(OC)c1 285371625 FYMBFXPHWYJRRA-CQSZACIVSA-N 290.407 3.684 30 20 CHED C=CCN(C(=O)Cc1cccc(OC(C)C)c1)C(C)(C)C 622943772 QLAGXOVBLPSBII-UHFFFAOYSA-N 289.419 3.829 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCCS1 465229544 YXXZIMYCOJZVAC-HNNXBMFYSA-N 296.480 3.660 30 20 CHED CCc1cccnc1NC(=O)c1ccc(C(C)(C)C#N)cc1 280568619 VIJQVZDQZMFVKW-UHFFFAOYSA-N 293.370 3.697 30 20 CHED C=CCC[C@H](NC[C@H]1CCOC[C@@H]1C)c1ccco1 287723212 YBMVIFMQOMZWIY-ZNMIVQPWSA-N 263.381 3.549 30 20 CHED C=C(C)[C@H](NC(=O)C[C@@H]1C[C@@H]1C)c1ccc(F)c(F)c1 558563958 VSOYNAOXKIHMCD-PKWAYOAASA-N 279.330 3.744 30 20 CHED CN(C)Cc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1Cl 281634590 OOZFYKMVQWGSAG-GXTWGEPZSA-N 291.826 3.896 30 20 CHED C[C@H]1C[C@H](CCN[C@@H](C)c2ccc(C#N)cc2)C[C@@H](C)O1 558975561 WGHRXHRDLVPGBR-IVSAIRAKSA-N 286.419 3.803 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC(C)(C)C1CC1 559581455 GUNDUGWPDWGBMN-UHFFFAOYSA-N 278.440 3.991 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 466187620 HLOIYPGSVQPGPI-INIZCTEOSA-N 286.419 3.618 30 20 CHED Cc1ccc(C)c(CC(=O)N[C@@](C)(C#N)C2CCCCC2)c1 550352362 YNFCTIPKBWXTJR-IBGZPJMESA-N 298.430 3.825 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccccc1OC(F)F 466982297 FDWBCEDKPHQSNI-NSHDSACASA-N 298.333 3.567 30 20 CHED CC[C@@H](C)CN(CC)C(=O)[C@H](C)c1cccc(C#N)c1 462191879 UZHWEGQUEFTGEX-ZIAGYGMSSA-N 272.392 3.556 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC(C)(F)F 469410001 LZSMOBUBFBXVHA-UHFFFAOYSA-N 259.340 3.627 30 20 CHED C=CCC[C@@H](NCC1(CCO)CCCC1)c1ccco1 286041377 KNWNXSHUIJBUNR-OAHLLOKOSA-N 277.408 3.819 30 20 CHED CC(C)(C#N)CCN(CCc1ccc(F)cc1)C1CC1 557965982 IEPVLQWNJZZFSE-UHFFFAOYSA-N 274.383 3.772 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCO[C@H](CCC)C1 805220585 XBUOPQDLAUDQRZ-JKSUJKDBSA-N 281.440 3.834 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1ccccc1 476254948 SIDURVSWTPGKPO-MLGOLLRUSA-N 298.773 3.825 30 20 CHED C=CCCCCCCNC(=O)NCc1ccccc1OC 804858052 XJRQUSBLKZRTCK-UHFFFAOYSA-N 290.407 3.631 30 20 CHED C#Cc1ccc(CN[C@@H](c2nc(C)cs2)C2CC2)cc1 290476020 VBSMCNNMMYZYMD-MRXNPFEDSA-N 282.412 3.674 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CCCOC1 388973809 YPMDOAXRGZZFRT-WDEREUQCSA-N 298.308 3.804 30 20 CHED C=CCCCCCCNC(=O)C[C@H]1CCC[C@@H](OC)C1 805218333 WTLFTMBHHUJDCU-JKSUJKDBSA-N 281.440 3.834 30 20 CHED C=CCCc1noc(CSc2ccc(C)cc2)n1 297363720 PWLKCLUHITYROB-UHFFFAOYSA-N 260.362 3.789 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 297389327 MMWJBVRGNLHRFQ-CABCVRRESA-N 288.391 3.667 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(C)(F)F 294027646 HHJDXVTXRAVSQX-VIFPVBQESA-N 284.331 3.675 30 20 CHED O=C1/C(=C\c2cnccn2)Cc2c1ccc(Cl)c2Cl 809154503 WUFOJKYKIMUOBO-YVMONPNESA-N 291.137 3.606 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC[C@H]2CCCF)cc1 800804341 XDNPTLJLEFEHDJ-NSHDSACASA-N 279.315 3.913 30 20 CHED C=CCOCCCNC1(c2ccc(F)cc2F)CCCC1 470777870 CCIMCCPBQMCYQS-UHFFFAOYSA-N 295.373 3.916 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(C)c(Br)c1 296071488 FNWACBDNZRCNNX-CYBMUJFWSA-N 296.164 3.603 30 20 CHED C=CCCc1noc([C@H](C)Cc2ccc(OC)cc2)n1 297378610 QWIWBVUYXMKTAP-GFCCVEGCSA-N 272.348 3.543 30 20 CHED Cc1cc(F)cc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 295155414 CPBIJSRNFGLFJV-MRXNPFEDSA-N 272.323 3.547 30 20 CHED CC(=NNCCC(C)(C)C)c1cc2c(C)nn(C)c2s1 807982771 MSYTUGYEOJSNDW-UHFFFAOYSA-N 292.452 3.693 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cc(C(C)(C)C)n[nH]1 562585512 VRLYYCZTCNHWOC-ZDUSSCGKSA-N 296.418 3.772 30 20 CHED C=CCCCC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 480921599 RNOISGMGMCTLPX-LLVKDONJSA-N 279.767 3.810 30 20 CHED C=CCC[C@H](NCCc1ccc(N)cc1)c1ccco1 817956741 BRYRFYOAWCCZBQ-INIZCTEOSA-N 270.376 3.701 30 20 CHED Cc1nc(N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)ccc1C#N 488072296 ZQFFLTRNLZMGFS-YVEFUNNKSA-N 295.361 3.988 30 20 CHED C=CCCCS(=O)(=O)Oc1ccc(Cl)cc1Cl 813641122 PGEZMJVUEQGZSS-UHFFFAOYSA-N 295.187 3.668 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(Cl)c(N)c1 814815461 YPNFCSKKRQNJPS-UHFFFAOYSA-N 277.730 3.897 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@@H](OCC2CC2)C1 489918159 MMKVCGGJBCRIJY-OAHLLOKOSA-N 290.794 3.607 30 20 CHED C=CCN(CCOC1CCC1)Cc1ccc(Cl)s1 568612446 MLUKBVQQFKBXCF-UHFFFAOYSA-N 285.840 3.959 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(SC)c1C 488817711 MUQVUFFDKRHIHF-UHFFFAOYSA-N 286.400 3.957 30 20 CHED C=CCCCCCS[C@H](C)C(=O)N[C@@H](C)CC 485557076 CDPCFPLEMIAFIL-QWHCGFSZSA-N 257.443 3.769 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)[S@](=O)CCC(C)(C)C#N 563549819 FQCFSFXCWGCBRI-ZUOKHONESA-N 289.444 3.925 30 20 CHED C#CCCOc1ccc(CN(C)Cc2occc2C)cc1 814174276 BPSUUCNNOQQMBZ-UHFFFAOYSA-N 283.371 3.622 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(SC)c1C 810662325 AENWGLNZJHWDBI-UHFFFAOYSA-N 295.407 3.879 30 20 CHED CCCC(=NNc1cccc(Cl)n1)c1ccccn1 814939683 YUEWEQZFWUFWDR-UHFFFAOYSA-N 274.755 3.746 30 20 CHED Cc1cccc(C(=O)/C=C\c2c(C)nn(C)c2Cl)c1 812491553 WDAVTVRQXLZQHJ-FPLPWBNLSA-N 274.751 3.586 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NOC/C=C/Cl)C1 811668551 PRNMSBNHOYYVPY-XYHUNECUSA-N 255.667 3.864 30 20 CHED CC(=NNc1ccc(C)cc1)c1cc(F)c(N)c(F)c1 814685147 DEDNERLIKOJDJL-UHFFFAOYSA-N 275.302 3.692 30 20 CHED c1ccc(-c2nnc(NN=C3CC[C@@H]3C3CCC3)s2)nc1 814912641 ZSXQEJRSHJLKJL-LLVKDONJSA-N 299.403 3.578 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)c2ccccc2n1)C(C)(C)C 575903235 UOGUGLPDDXKYKB-NSHDSACASA-N 281.359 3.727 30 20 CHED C[C@@H]1C(=NNCC2(C)CCCC2)CC[C@H](C(=O)O)C1(C)C 814937978 SWFLPVJEEMEXEF-CHWSQXEVSA-N 294.439 3.669 30 20 CHED C=CCOCCSCC[C@@H]1CC1(Cl)Cl 818155282 SAWWMWGTJRGJTD-SECBINFHSA-N 255.210 3.506 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 487676054 UKDKXNCPDCOXNN-GOEBONIOSA-N 291.435 3.587 30 20 CHED Cc1cscc1NC(=O)Nc1ccc(C#N)cc1 163280547 SLWBIEXRMJXFKH-UHFFFAOYSA-N 257.318 3.572 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@@H]1CC1(C)C)c1ccccc1 489334014 NBVHEXBZTJQLIN-HUUCEWRRSA-N 257.377 3.603 30 20 CHED Cc1cc(C)nc(NN=C(Cc2ccccc2)C2CC2)n1 729145575 LZAKGEMBHNYKRM-UHFFFAOYSA-N 280.375 3.514 30 20 CHED C[C@H](Cc1ccccc1F)Nc1ccc(C#N)c([N+](=O)[O-])c1 571817218 ZJJMSUXWJBCJBZ-LLVKDONJSA-N 299.305 3.649 30 20 CHED C#CCCN(CCOC)Cc1csc(Cl)c1Cl 827826395 DYKZYUZLOLPQGA-UHFFFAOYSA-N 292.231 3.527 30 20 CHED CC#CCCCc1nc(-c2cccc(Cl)c2F)no1 579284234 LCPYYHYVJZLWTJ-UHFFFAOYSA-N 278.714 3.875 30 20 CHED CC(C)CCN(CCC#N)Cn1ccn(C(C)C)c1=S 728901499 MCJGDKCBONXPJX-UHFFFAOYSA-N 294.468 3.819 30 20 CHED CCCC(=NNc1cnnc(O)c1Cl)C1CCCCC1 727777364 NDKHUINMVNWXEF-UHFFFAOYSA-N 296.802 3.984 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)C1(c2ccccc2)CCCC1 583225512 BEHYKEQRRVVGGM-DLBZAZTESA-N 287.447 3.661 30 20 CHED CC1(C)CCCN(CC[C@@H]2CC2(Cl)Cl)[C@H]1C#N 822971863 CQXXAKMIMKXAPT-MNOVXSKESA-N 275.223 3.584 30 20 CHED N#Cc1ccc(CNC(=O)c2ccc(C3CCC3)cc2)s1 584714229 RIRBFYJJMHVOES-UHFFFAOYSA-N 296.395 3.817 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)CC(F)(F)F)c1ccccc1 490241728 FUDWKBIRPHJAFN-AAEUAGOBSA-N 285.309 3.803 30 20 CHED N#CCCCCCC(=O)N[C@H](Cc1ccccc1)C1CC1 588158899 ZYMKFSUWGKGDSH-QGZVFWFLSA-N 284.403 3.598 30 20 CHED CC(C)(C#N)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 903101359 FXNBOUVUSFCQRA-HNNXBMFYSA-N 287.363 3.502 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1Cc1ccc(OCC#N)cc1 738313869 LIEVXGGHAUGZIM-QAPCUYQASA-N 286.419 3.990 30 20 CHED Cc1ccc(CCOC(=O)/C=C/c2ccccc2C#N)cc1 735401574 GYIDQAFFUNMFQK-ZHACJKMWSA-N 291.350 3.666 30 20 CHED CC[C@H](NCC1(C#N)CC1)c1ccc(OC(F)(F)F)cc1 903107016 ZMAZZQVHRZNQQH-ZDUSSCGKSA-N 298.308 3.930 30 20 CHED N#CC1(CN[C@H]2CCCOc3c(Cl)cccc32)CCC1 903031145 IYWNIRCYKBWTAR-AWEZNQCLSA-N 290.794 3.837 30 20 CHED C=C1CCC(c2nc(Cc3ccccc3)no2)CC1 904315712 UVKZHBDEYTZXFL-UHFFFAOYSA-N 254.333 3.874 30 20 CHED CC[C@H](C)n1ncc(NC(=O)CCCCCC#N)c1C 588716162 HDLWPTPIYOQLSZ-LBPRGKRZSA-N 276.384 3.575 30 20 CHED C#CCN(CC)C(=O)N[C@@H](CC(C)C)c1ccccc1C 732894088 JDLFXUCMMCNYCY-KRWDZBQOSA-N 286.419 3.747 30 20 CHED CSc1ccccc1CN(C)C(=O)CCCCCC#N 588165775 UGJWDPFCRJEEKE-UHFFFAOYSA-N 290.432 3.841 30 20 CHED C=CCC[C@H](C(=O)N=[S@](C)(=O)C(C)C)c1ccccc1 906196245 TVTKNVCKCHEVDG-MGPUTAFESA-N 293.432 3.769 30 20 CHED CCc1nc(CCN[C@H](CC)c2cccc(C#N)c2)cs1 902785619 GNLVPMWFCUPIGA-MRXNPFEDSA-N 299.443 3.861 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C(=O)O)c1ccc(C)c(C)c1 901846701 WVVVARSBHVBJMM-BJJXKVORSA-N 275.392 3.619 30 20 CHED C=CCOC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 730881323 YQJNTXHXSZLWNK-HOTGVXAUSA-N 252.313 3.673 30 20 CHED Fc1ccc(NN=C2CCCC23CCOCC3)cc1F 901317511 JEMZJAMDEMUBEK-UHFFFAOYSA-N 280.318 3.713 30 20 CHED CCc1ccc2ccccc2c1CNC(=O)[C@@H](C#N)CC 831124576 LJJWAKCJJQFTIA-CQSZACIVSA-N 280.371 3.568 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1c1ccc(F)cc1C 837100706 GBZLZNVYMOTOCB-INIZCTEOSA-N 273.351 3.601 30 20 CHED C=CC(C)(C)CCN[C@@H]1CCC[C@@H](CCCC(=O)O)C1 902420532 AIQXTCFZYKIKIT-LSDHHAIUSA-N 281.440 3.992 30 20 CHED C=C(C)[C@@H]1CC=C(COC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)CC1 835199854 YBCSCPHEIYRSBF-QBPKDAKJSA-N 290.403 3.790 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C(C)C)on2)C1 666205492 WUHFGGQNVBAISY-LBPRGKRZSA-N 277.368 3.618 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCCCCC1(C#N)CCC1 909513859 YRSVJUIECKXQOC-UHFFFAOYSA-N 296.370 3.888 30 20 CHED C/C(=C/C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 839052943 RBOAZDHUIGBFKI-UHQRNEECSA-N 287.334 3.855 30 20 CHED C=CCC[C@@H](NC(=O)/C=C(\C)Cl)c1ccccc1 901150449 SEFPXIGFEKAGOD-GCZGRYASSA-N 263.768 3.953 30 20 CHED N#CCCCCCc1nc(Cc2ccc(Cl)cc2)no1 588321342 HLIJVZKXBUQBQJ-UHFFFAOYSA-N 289.766 3.940 30 20 CHED CC[C@@](C)(NC(=O)NCC(C)(C)CC#N)c1ccccc1 838359386 YNQMNVISVVMFCU-QGZVFWFLSA-N 287.407 3.551 30 20 CHED C[C@H](Cc1ccsc1)N[C@@H]1CCc2ccc(C#N)cc21 583470554 SFJQEOPNOYHCKT-SJKOYZFVSA-N 282.412 3.828 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCOc2c(OC)cccc21 678588886 NRGHMCWZOYCIGS-UKRRQHHQSA-N 275.392 3.853 30 20 CHED C=CCC1(C(=O)Nc2cccc(O)c2F)CCCC1 583303654 TYWNCBMPNYNQOR-UHFFFAOYSA-N 263.312 3.606 30 20 CHED CCc1ccc2ccccc2c1CNC(=O)C(C)(C)C#N 831128900 WLVCWHFAOXLTLU-UHFFFAOYSA-N 280.371 3.568 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCc2c(C)cc(C)cc21 589389417 PIPFBPMABGDTNT-HNNXBMFYSA-N 287.403 3.564 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H](C)n1cccn1 918669035 ZQICKMUUSOCLKI-OAHLLOKOSA-N 279.428 3.653 30 20 CHED CCCC(=NNc1nccnc1Cl)c1ccccc1 733078543 FHUREFNIINBGNM-UHFFFAOYSA-N 274.755 3.746 30 20 CHED C[C@H](CCc1ccccc1)NCCc1ccc(C#N)cc1 594712668 VKVAEIYAOACMJH-MRXNPFEDSA-N 278.399 3.712 30 20 CHED CC(C)CC[C@@H]1CCC(=NN[C@@H]2CCSC2)C1 834980243 QJWCPUJTYIWQFI-TZMCWYRMSA-N 254.443 3.674 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@@H](COc2ccccc2)C1 595433356 YYEDXNBOTWZXMC-APWZRJJASA-N 292.382 3.652 30 20 CHED C=C(C)COC(=O)c1sc(-c2ccc(C)o2)nc1C 915255294 VAIMMUBMMWHGHT-UHFFFAOYSA-N 277.345 3.753 30 20 CHED CCCCCCCC(=O)NCc1cccc(N(C)C)c1 748288651 AOGLGSQQTRBICI-UHFFFAOYSA-N 276.424 3.729 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(C(F)(F)F)cc2)C1 839043770 NTLXMPOYPAFGSF-GWCFXTLKSA-N 297.276 3.945 30 20 CHED CC[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)CCO1 590647083 QKHASSAEXHHJMD-BRWVUGGUSA-N 272.392 3.579 30 20 CHED CCN(C(=O)c1ccccc1OCC#N)c1cccc(C)c1 919995502 BDYVEPMJUROOEN-UHFFFAOYSA-N 294.354 3.564 30 20 CHED CCCCOc1cccc(NCC2(CC#N)CC2)c1 594702353 VFTBAYCPDUTQRI-UHFFFAOYSA-N 258.365 3.971 30 20 CHED N#CCCCCOC(=O)C1(c2ccccc2)CCCC1 912958319 ATHWJOMVOIZPCM-UHFFFAOYSA-N 271.360 3.735 30 20 CHED C[C@H]1Cc2ccccc2CN1c1nc(C#N)c(Cl)s1 596219274 RMOVEHZBUBSWTD-VIFPVBQESA-N 289.791 3.619 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)[C@@]1(C#N)CC13CCCC3)CC2 590632133 JRFNUXONFPWUEL-APWZRJJASA-N 294.398 3.573 30 20 CHED C=C(C)CNC(=S)N(C)[C@H]1CCC[C@H]1C(C)(C)C 841484017 QBFYDVVAMZAHHA-OLZOCXBDSA-N 268.470 3.584 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2cc(C)cc(C)c2)s1 598806574 AHPITHOWQZBLKI-UHFFFAOYSA-N 298.411 3.980 30 20 CHED C=CC[C@H](C)[C@H](C)NCCc1c[nH]c2ccc(OC)cc12 675878230 QTYHBQWKJZHRAV-KBPBESRZSA-N 286.419 3.909 30 20 CHED Cc1cc(C(=O)O[C@@H](C)C#N)c(C)n1C1CCCCC1 746232978 IZMVZYSIFJGTQJ-LBPRGKRZSA-N 274.364 3.679 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C\C2CCCC2)cc1 843596059 YMOFBJATZZHYGN-GKUQOKNUSA-N 282.387 3.676 30 20 CHED CCC(=NOCc1cccnc1)c1ccc(F)cc1 746578083 YSJXNHAYROLLOX-UHFFFAOYSA-N 258.296 3.552 30 20 CHED Cc1cc([C@@H](C)N=c2[nH]c(C#N)c(Cl)s2)c(C)s1 596075206 JRLHSVJKQJVLIR-SSDOTTSWSA-N 297.836 3.942 30 20 CHED C=C(C)CON=C[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 844619422 DIFFAXZPABIKQJ-CQSZACIVSA-N 296.411 3.648 30 20 CHED CCCCCCCCNC(=N)NCC[C@@H]1CCO[C@@H](C)C1 849078957 UHTTXTUPTXGOIR-JKSUJKDBSA-N 297.487 3.666 30 20 CHED C#CCN(C(=O)NC1CCCCC1)[C@@H]1CCc2ccccc21 917032671 OHLBNYQOBSRKEB-GOSISDBHSA-N 296.414 3.651 30 20 CHED CCCc1ccc(CCCC(=O)N[C@H](C#N)C(C)C)cc1 592613974 DWTHWICNKCGSMN-QGZVFWFLSA-N 286.419 3.626 30 20 CHED CC#CCOC(=O)c1sccc1-c1ccc(F)cc1 744879395 AUZJLNCXEOTLAT-UHFFFAOYSA-N 274.316 3.734 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)N2CCC(CCC#N)CC2)C[C@H]1C 592010575 VYHHDHMJPRZEGI-IIAWOOMASA-N 291.439 3.536 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CC23CCCC3)C(C)C)c1 747304797 ZUEOCFORDNRPDB-QGZVFWFLSA-N 281.399 3.990 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccc(Cl)s1)C(C)C 749981519 POUAZCRFJFHIKQ-SNVBAGLBSA-N 271.813 3.928 30 20 CHED Cc1ccc2sc(S[C@@H](C#N)C3CC3)nc2c1 919621477 GTTDZZNSCPQSEF-LBPRGKRZSA-N 260.387 3.999 30 20 CHED N#Cc1cn(CCC2CCC2)c2ccc(Cl)cc2c1=O 594891942 UCEMGFBARUFHRW-UHFFFAOYSA-N 286.762 3.717 30 20 CHED C[C@H]1CC(NC(=O)N2CCC(CCC#N)CC2)C[C@H](C)C1 591942066 GNNZGLOIDOZJFD-ZIAGYGMSSA-N 291.439 3.536 30 20 CHED N#CC1(CC(=O)Nc2ccc(F)cc2)CCCCC1 596618818 BDEZEKHNNIEJMD-UHFFFAOYSA-N 260.312 3.628 30 20 CHED C=CCN(C(=O)/C=C/Sc1ccccc1)C(C)C 915153577 RMLHKIFADXVSMU-ZRDIBKRKSA-N 261.390 3.715 30 20 CHED CCC[C@H](C(=O)N(C)CCC#N)c1ccc(Cl)cc1 596911667 ZOVCLBQOOBTWIV-AWEZNQCLSA-N 278.783 3.596 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H]1c1cccc(F)c1 684929114 DWEAFAMLVLMYOT-LSDHHAIUSA-N 276.355 3.637 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(F)cc2F)c1O 745624953 QFCNPSWPKGDIHA-GRSHGNNSSA-N 291.297 3.688 30 20 CHED C[C@@H](CCc1ccccc1F)NCCc1ccc(C#N)cc1 595056756 VUNUNYNMZBWLTO-HNNXBMFYSA-N 296.389 3.851 30 20 CHED COCCON=C(C)Cc1ccc(-c2ccccc2)cc1 748789948 SYZGPJHKSNFCTJ-UHFFFAOYSA-N 283.371 3.935 30 20 CHED CN(Cc1cccc(Cl)c1)c1nc(C#N)c(Cl)s1 590569310 OYIAISGISZCIQM-UHFFFAOYSA-N 298.198 3.958 30 20 CHED COCC(=NNc1cccc(Cl)c1F)C(C)C 741459695 GZPOVPOEVAUKLY-UHFFFAOYSA-N 258.724 3.549 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C\C1CCCC1 843578829 PBUQNGSNPWEBAS-KHPPLWFESA-N 262.397 3.664 30 20 CHED Clc1ccc2nc(C=NOCc3ccccc3)cn2c1 920375520 LNOHLUQKKAOTQD-UHFFFAOYSA-N 285.734 3.538 30 20 CHED CC(C)[C@@H]1C[C@@H](C(=O)OCCCCC(C)(C)C#N)CCO1 924304996 DANNXTKPKLQMCR-GJZGRUSLSA-N 295.423 3.701 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc2cc(OC)ccc2n1 684765306 ZXAJSOSDVKUZON-KDOFPFPSSA-N 298.386 3.637 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)CCOc2ccccc21 755595389 YKDANHPGXVCPLT-XFXZXTDPSA-N 284.286 3.580 30 20 CHED CC1(C#N)CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 853472237 NVFZRPKBIQRFNE-UHFFFAOYSA-N 295.289 3.662 30 20 CHED CC[C@@H]1CCCC1=NNC(=S)Nc1cccc(OC)c1 758366995 LWBLLUUPZSNRPM-LLVKDONJSA-N 291.420 3.548 30 20 CHED N#Cc1csc(C(=O)OCCOC2CCCCCC2)c1 752590803 NGJFAEAUQGZFJO-UHFFFAOYSA-N 293.388 3.516 30 20 CHED C[C@H](NN=Cc1cc(F)ccc1F)c1ccccc1 920382494 HGZJZINXCIIVCF-NSHDSACASA-N 260.287 3.650 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(C#N)ccc1F 854750720 WSXILOWZNAILFF-QGZVFWFLSA-N 288.366 3.738 30 20 CHED N#CCc1ccc(C(=O)NCC2CCCCCCC2)cc1 758574397 XOZPIGYUCSJAHF-UHFFFAOYSA-N 284.403 3.843 30 20 CHED C=C[C@H](CC(=O)Oc1ccccc1)c1ccccc1 758145268 VOPOQDUFVJTMAQ-CQSZACIVSA-N 252.313 3.952 30 20 CHED CC(=NNc1ccnc(Cl)c1)[C@H](C)CCCCC(=O)O 853395086 KIQVGCGBLIVUSQ-SNVBAGLBSA-N 297.786 3.804 30 20 CHED C=C[C@H](CC(=O)OC/C=C\Cl)c1ccccc1 758914356 MMJBBWVAUUYZFB-OJIASSBASA-N 250.725 3.642 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCCN(C)c1ccccc1 924741577 JWJBKGBOYVLDSU-INIZCTEOSA-N 287.451 3.821 30 20 CHED C#Cc1cccc(N[C@@H](C)CCc2ccc(OC)c(O)c2)c1 756100346 HORPFCVCCCPQMJ-AWEZNQCLSA-N 295.382 3.815 30 20 CHED CCN(Cc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 921062296 VPDRSPJCMLFXGB-UHFFFAOYSA-N 296.370 3.602 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1coc(-c2ccccc2)n1 851210058 RBZQFIYTVPTPBF-GFCCVEGCSA-N 298.342 3.827 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](C2CCCCC2)C1 855636608 NUWAMKGLBQREBY-KRWDZBQOSA-N 275.436 3.999 30 20 CHED C=CC[C@@H](NC(=O)NC1(CC=C)CCCC1)c1ccncc1 853746259 HHFSPTMOGCGVOZ-MRXNPFEDSA-N 299.418 3.887 30 20 CHED CCCn1nccc1/C=C/C(=O)c1csc(C(C)C)n1 853006474 GTDATVCHDXTKHL-AATRIKPKSA-N 289.404 3.769 30 20 CHED C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc2ccccc2c1 852101470 QULKGSWFQIZNBY-KUHUBIRLSA-N 294.398 3.558 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2cc(C)ccc2C)c1 766503331 WKJMVEPHKDCQLM-VOTSOKGWSA-N 284.311 3.579 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@@H]2c2ccccc2)cc1 769764716 CCDVOFZSNFANFX-OAHLLOKOSA-N 280.327 3.730 30 20 CHED C=CCCCNC(=O)c1ccc(SC(F)(F)F)o1 867937336 YYHYOGUUYAEAAP-UHFFFAOYSA-N 279.283 3.588 30 20 CHED C#CCCOc1ccc(CN(C)[C@@H](C)C(C)C)cc1 768269988 UETJCEUKFCHXOB-HNNXBMFYSA-N 259.393 3.565 30 20 CHED CCCCCCCNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 862357824 IPARNPKASMDLAX-HZPDHXFCSA-N 283.456 3.914 30 20 CHED CCCC(=NNc1nccnc1OC)C1CCCCC1 763412114 NWSUWZJGYVFGOK-UHFFFAOYSA-N 276.384 3.634 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2CC2(Cl)Cl)CCCC1(C)C 767220109 YLSFHLIWYYILTG-GHMZBOCLSA-N 290.234 3.774 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C[C@@H](C)CC(C)(C)C 767160369 RDAGEBUXVCYJAB-GFCCVEGCSA-N 291.357 3.863 30 20 CHED CCCCCCCCC(=O)N[C@H](CO)c1ccccc1C 771212913 PKNUKIBGSYHEIP-QGZVFWFLSA-N 291.435 3.895 30 20 CHED C#CCCCCC(=O)Oc1cccc(C)c1Cl 774665150 WGOVVDADEIVCDH-UHFFFAOYSA-N 250.725 3.747 30 20 CHED C=C(C)[C@@H](NC(=S)N[C@@H](C)CC)c1ccc(F)c(F)c1 774207114 RJRASGUZBILTBX-IINYFYTJSA-N 298.402 3.845 30 20 CHED C=CCC1(NC(=O)c2cnc(C3CC3)o2)CCCCC1 1119638307 OJGZDLQDXGCXNK-UHFFFAOYSA-N 274.364 3.561 30 20 CHED Cc1ccc([C@H]2CCCC2=NOC2CCOCC2)cc1 774432452 CWBCJKJLTPYXQC-MRXNPFEDSA-N 273.376 3.814 30 20 CHED CCc1sc(C(=O)OCCC(C)(C)C#N)cc1C 776363879 HDBHCIJBIXMGHW-UHFFFAOYSA-N 265.378 3.716 30 20 CHED CSc1ccncc1NCc1ccc(O[C@@H](C)C#N)cc1 772949474 DQWAFYTZZUADMO-LBPRGKRZSA-N 299.399 3.706 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccc(F)c(C)c1 772990001 ZNOJQAGNRDQKNS-HNNXBMFYSA-N 297.373 3.997 30 20 CHED C=CC[C@@H](C(=O)OCC[C@@H]1CCCC1=O)c1ccccc1 778416988 MPBKUDAXURZKDO-JKSUJKDBSA-N 286.371 3.649 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1nccc2ccccc12 779816357 IXWIYLJPHICPKX-UHFFFAOYSA-N 287.326 3.557 30 20 CHED CC(=O)[C@](C#N)(CCN1CCC(C)(C)CC1)c1ccccc1 878038209 CRVYXOSHLVZGDD-LJQANCHMSA-N 298.430 3.549 30 20 CHED C#CCCCCCC(=O)N(CC)CCc1ccccc1 779815826 DZBMEAXMAWUZQC-UHFFFAOYSA-N 271.404 3.661 30 20 CHED CC[C@H](CC#N)NCc1c(C)ccc(Br)c1F 877365073 OBFBFTQSROZNKH-SNVBAGLBSA-N 299.187 3.679 30 20 CHED C=CCN(C(=S)NC[C@@H](CC)CCCC)C1CC1 771546079 YFBSPIYWECJIRK-ZDUSSCGKSA-N 268.470 3.728 30 20 CHED Clc1oc2ccccc2c1C=NOC1CCOCC1 774433849 DZQWAAZWVBREST-UHFFFAOYSA-N 279.723 3.616 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)CC(C2CCC2)C2CCC2)C1 1122735260 JRFLLQKSAGLPEQ-IUODEOHRSA-N 275.392 3.828 30 20 CHED Cc1ccc(C(=O)OC2(CC#N)CCC2)c2ncccc12 1122907891 MCLKOLCVJAWGHZ-UHFFFAOYSA-N 280.327 3.536 30 20 CHED CCCCCCOc1cccc(C=NNC[C@H](C)C#N)c1 771113012 RFJWQDRNLRNVDO-OAHLLOKOSA-N 287.407 3.729 30 20 CHED Fc1cc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)ccn1 781134218 WYOJSKOYQRVZGI-NWDGAFQWSA-N 261.344 3.979 30 20 CHED COc1ccc(CCNN=C2CCC[C@@H](C)[C@@H]2C)cc1 781126926 IWPXYYTYARSVLM-KGLIPLIRSA-N 274.408 3.639 30 20 CHED CC[C@H](C#N)Oc1cccc(CNC2CC(C)(C)C2)c1 788589903 WVUAZNRSBONEIU-OAHLLOKOSA-N 272.392 3.646 30 20 CHED C=CCCCCCOC(=O)c1c(F)cc(C#N)cc1F 784096405 UFYTZLKKBRSCMT-UHFFFAOYSA-N 279.286 3.740 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccccc2)cc(Cl)n1 788715352 XNSCTMQXLILGPZ-LBPRGKRZSA-N 273.767 3.728 30 20 CHED CC(C)Oc1ccccc1C=NNCCC(C)(C)C 782908635 XLGUCVGBQUEQQU-UHFFFAOYSA-N 262.397 3.834 30 20 CHED C=CCSCCNCc1ccccc1N1CCCCC1 781534914 RHWHXWRNWWJADZ-UHFFFAOYSA-N 290.476 3.686 30 20 CHED Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)c(C)o1 785616409 AVFMWGKEMACGON-KRWDZBQOSA-N 266.344 3.545 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1nc2ccccc2[nH]1 783791669 YCZPWUQNOMRGOY-NWDGAFQWSA-N 256.353 3.787 30 20 CHED CCC(=NNc1cnccn1)c1cccc2ccccc12 780209066 FVPGUVIVQHUNIV-UHFFFAOYSA-N 276.343 3.856 30 20 CHED N#Cc1cccc(CNc2cc(F)ccc2Cl)c1 83442339 KNTXUVULTWOBOT-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1ccc(Cl)cn1 781609608 YRFXKVCCCQHLKU-NSHDSACASA-N 265.740 3.533 30 20 CHED C=CCCCCCOC(=O)Cc1csc(CC)n1 783140229 NSGITHVAQRKPAW-UHFFFAOYSA-N 267.394 3.538 30 20 CHED CN(CCCSCC#N)C1CCCCCCC1 74989785 QPWOBWGETKSYJF-UHFFFAOYSA-N 254.443 3.678 30 20 CHED CC(C)[C@H]1CCCCC1=NN[C@H]1CCOC(C)(C)C1 780251008 RCWUBJILYALRLB-UONOGXRCSA-N 266.429 3.736 30 20 CHED C#C[C@H](C)NC(=O)Nc1c(CC)ccc(Cl)c1CC 789833892 OFCDLDHVENNFBF-JTQLQIEISA-N 278.783 3.608 30 20 CHED C=C1CC(c2noc(-c3scnc3C(C)C)n2)C1 896876603 IHYVXKXQBHJAQE-UHFFFAOYSA-N 261.350 3.750 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1cscc1Cl 790306013 BZSMSVUWDDHRAL-UHFFFAOYSA-N 299.714 3.895 30 20 CHED COc1ccccc1CON=Cc1cccc(C)c1C 799118040 RRGRIMZHRUXSMW-UHFFFAOYSA-N 269.344 3.863 30 20 CHED O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1CCCCC1 790101940 VOQHRFNPQKKEFE-UHFFFAOYSA-N 295.304 3.506 30 20 CHED C=CCC[C@H](C)N[C@H](C)CCOCc1ccccc1 389915817 MTWJQNDLBBELFQ-JKSUJKDBSA-N 261.409 3.926 30 20 CHED CC(C)=CCOC(=O)C[C@@H](CC#N)c1ccccc1 796806399 AATKJXORXRWTER-OAHLLOKOSA-N 257.333 3.583 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1CCCN(CC)C1 793526204 KXLSAOPFKPBECS-IRXDYDNUSA-N 266.473 3.833 30 20 CHED CCCCCC1=C(C)CCC1=NN(C)CCOC 794973011 RAZYKYVGHPTFJF-UHFFFAOYSA-N 252.402 3.611 30 20 CHED COc1ccccc1SCC(=O)c1ccc(C#N)cc1 41031070 YXHQULILPSLFHK-UHFFFAOYSA-N 283.352 3.542 30 20 CHED CCOc1ccc(C=NN[C@@H](C)C(C)(C)C)cc1F 793116295 WWCDVFZVECMDLH-NSHDSACASA-N 266.360 3.583 30 20 CHED N#CCCCCOC(=O)c1ccc(C(F)(F)F)s1 797025133 IYMKSOIXAGZMPQ-UHFFFAOYSA-N 277.267 3.618 30 20 CHED CC(C)(C(=O)OCC1CCCC1)c1cc(F)cc(C#N)c1 796860702 XSPTXRSHEAZRLM-UHFFFAOYSA-N 289.350 3.708 30 20 CHED N#Cc1ccc(CCNC(=O)Nc2cccc(Cl)c2)cc1 1202249592 UCUHSPJOHRZZHM-UHFFFAOYSA-N 299.761 3.576 30 20 CHED N#Cc1ccc(CCN2CCc3ccc(Cl)cc3C2)cc1 1208920422 HNOAIUBNQKKZJX-UHFFFAOYSA-N 296.801 3.812 30 20 CHED COCc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 194661976 NOJHQGASRZGONY-CYBMUJFWSA-N 266.344 3.878 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1cn2ccsc2n1 657853472 LOYAPQBWKZPNAK-TZMCWYRMSA-N 275.421 3.620 30 20 CHED C=CCN(Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C 595765783 OPAYBZSIPSSDQQ-UHFFFAOYSA-N 266.316 3.520 30 20 CHED CC[C@@H](C#N)C(=O)N(C1CC1)C1CC(c2ccccc2C)C1 1148514058 FGBVVURQWDCWJT-UQPPLGOBSA-N 296.414 3.782 30 20 CHED C=C(Cl)COC(=O)c1cc(C)ccc1Br 764190489 IBWPEXFRYIOTFF-UHFFFAOYSA-N 289.556 3.667 30 20 CHED C=C[C@@H](C)N[C@@H]1CCc2c(Br)cccc21 91370180 MYKYRWCSTATPOM-NOZJJQNGSA-N 266.182 3.601 30 20 CHED N#Cc1cccc(CNc2nc3ccc(F)cc3s2)c1 91940781 YAHUMGPELMKQLB-UHFFFAOYSA-N 283.331 3.919 30 20 CHED C=CCN(C(=O)c1cc(C(F)(F)F)ccc1F)C(C)C 94597785 DMCSRWLWSKZVGD-UHFFFAOYSA-N 289.272 3.881 30 20 CHED Cc1cc(C)c(/C=C\CN(C)[C@@H](C)CC#N)cc1C 1308589676 RADDFPZYXAXAKZ-WLMCBFPDSA-N 256.393 3.859 30 20 CHED Cc1ccc(C[C@@H]2CCCN([C@H](C)CCC#N)C2)cc1 1307441350 DGCNNJMDGVGFJV-AEFFLSMTSA-N 270.420 3.942 30 20 CHED C=C(CNC(=O)NC[C@H]1CCCC[C@@H]1C)c1ccccc1 1311789995 LGYISWHMTXISJV-WMLDXEAASA-N 286.419 3.825 30 20 CHED COc1ccc(F)cc1[C@H](C)Nc1nc(C)cc(C)c1C#N 1317896038 SKYCVVGXIRINMB-LBPRGKRZSA-N 299.349 3.891 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Nc2cc(F)cc(C#N)c2)c1 1311104673 YDVIRMORTRNYTH-UHFFFAOYSA-N 297.333 3.983 30 20 CHED Cc1csc(NC(=O)N(C)c2ccccc2)c1C#N 1310700891 HVKANNGCIGVJDZ-UHFFFAOYSA-N 271.345 3.597 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)nc1 1323393812 PJGWKWGWOUBMJX-HYVNUMGLSA-N 298.386 3.603 30 20 CHED CC#CCCNC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1320433349 UROWZBFBZQSXEO-PKOBYXMFSA-N 296.414 3.511 30 20 CHED CCC/C(C)=C\c1nnc(COc2ccccc2C#N)o1 1327268096 PDGULVXHFNDFFQ-XFXZXTDPSA-N 283.331 3.724 30 20 CHED Cc1cccc(C)c1CCNc1nc(C#N)c(Cl)s1 1185707465 CGFWGHAHHBXIKF-UHFFFAOYSA-N 291.807 3.940 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCOC(C)(C)C1 1336966176 VJEGQDXCVQJJKG-INIZCTEOSA-N 293.451 3.787 30 20 CHED C=C(C)CCC(=O)Nc1ccc(SC(=O)N(C)C)cc1 1335777536 ZLBSWEVEMSJCRF-UHFFFAOYSA-N 292.404 3.755 30 20 CHED C=CCCCCC[C@H](C)Nc1ccc(NC(C)=O)cn1 1257292097 FHHGACKREGJKTQ-ZDUSSCGKSA-N 275.396 3.977 30 20 CHED Cc1nsc(N[C@@H]2CCC[C@H](C(C)C)C2)c1C#N 1185298712 KYDXEBLGXPORHE-NWDGAFQWSA-N 263.410 3.950 30 20 CHED CC(=O)c1ccc(N(C)CCCC(C)(C)C#N)cc1 1331822811 HNZKOGIDHOEWRL-UHFFFAOYSA-N 258.365 3.655 30 20 CHED N#CCc1cccc(N2CCC[C@@H]2C2CCCCC2)n1 1255096985 YIXYXCBCWBNQIJ-MRXNPFEDSA-N 269.392 3.697 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C 1335713886 IRELOZQVLHMAQM-CYBMUJFWSA-N 291.391 3.546 30 20 CHED C=CC(C)(C)CC(=O)NCCc1c[nH]c2ccc(C)cc12 1337494897 CQZDAZBNMNEWAZ-UHFFFAOYSA-N 284.403 3.737 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccsc1C(F)F 1343503192 NGICSJFJIJNUMO-ZETCQYMHSA-N 259.277 3.535 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)C1 1342631373 BOPSQJWFPTUVMK-OWSLCNJRSA-N 297.398 3.881 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H]1CCCC(F)(F)C1 1262809776 PKQZTRQGQQEUTM-QWHCGFSZSA-N 271.351 3.769 30 20 CHED C=C(CC(C)C)C(=O)Nc1ncsc1C(C)C 1348644260 YRLLSZNKZQAWIL-UHFFFAOYSA-N 252.383 3.807 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1c(C)cccc1C 1347820901 IGBWFNGEPVKYRA-OAHLLOKOSA-N 257.377 3.933 30 20 CHED Cc1ccc(F)cc1C=NNc1ccc(C(C)(C)C)nn1 1341892357 WDQQTSALOVTACI-UHFFFAOYSA-N 286.354 3.668 30 20 CHED Cc1cccc(C(C)(C)CNC(=O)c2ccsc2C#N)c1 1358131924 LCWJVIQGOYHWDT-UHFFFAOYSA-N 298.411 3.636 30 20 CHED CC(C)(C#N)OC(=O)/C=C/c1cc(Cl)cc(Cl)c1 1516822416 WTEDFHZVSRYTCJ-ONEGZZNKSA-N 284.142 3.852 30 20 CHED N#Cc1cncc(N2C[C@@H](c3ccccc3)c3ccccc32)n1 1458349927 VBHKVCCDPWXBAV-KRWDZBQOSA-N 298.349 3.632 30 20 CHED C[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)C(C)(C)C 108814898 FRTHZXVYGSLGKE-ZDUSSCGKSA-N 266.429 3.847 30 20 CHED C[C@H](CCNC(=O)c1cc(C#N)ccc1F)c1ccccc1 1524365163 SEICEEDHNDSQBM-CYBMUJFWSA-N 296.345 3.621 30 20 CHED N#CCc1cccc(NC(=O)c2c[nH]c3cccc(F)c23)c1 1298024520 KOEQADIWOXIDEL-UHFFFAOYSA-N 293.301 3.625 30 20 CHED Cc1ccc(SCCN2CCC[C@H](C#N)C2)cc1C 1460749232 IGKVELDXYLREHJ-OAHLLOKOSA-N 274.433 3.631 30 20 CHED Cc1cc2c(NC(=O)[C@@H](C)C3CCCC3)n[nH]c2cc1C#N 1469794927 CWOVWMKDROZDHN-NSHDSACASA-N 296.374 3.508 30 20 CHED CSc1cc(C)ccc1NC(=O)c1ncc(C#N)cc1C 1460961050 AHTCLZSEPBLADN-UHFFFAOYSA-N 297.383 3.544 30 20 CHED Cc1cccc([C@@H](C)CNc2cc(C)c(C#N)cn2)c1 1472703237 QKUXWTDRRNHGMV-AWEZNQCLSA-N 265.360 3.786 30 20 CHED CC(C)C[C@@H]1CCCN(Cc2cccc(F)c2C#N)C1 1474347727 VJAOOZSAUXWSAV-AWEZNQCLSA-N 274.383 3.955 30 20 CHED CCOc1ccc(Cl)cc1CN(C)CC(C)(C)C#N 1474543155 XYKNMDQJNOGYSG-UHFFFAOYSA-N 280.799 3.720 30 20 CHED CCN(C[C@@](C)(OC)C1CC1)[C@@H](C)c1ccc(C#N)cc1 1474370035 OAJTZBVOAJDXIF-KBXCAEBGSA-N 286.419 3.756 30 20 CHED CCC[C@H](C(=O)Nc1ccc(OC)c(C#N)c1)C(C)C 1624704289 GKRYXRTYJZBECA-AWEZNQCLSA-N 274.364 3.578 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCC(C)(C)CC#N 1564903075 YGUDODYPEOFFOR-HUUCEWRRSA-N 293.455 3.832 30 20 CHED N#Cc1cc(Cl)ccc1CSc1cccnc1C#N 1643929374 WRIQXLNASBNERU-UHFFFAOYSA-N 285.759 3.771 30 20 CHED Cc1cc(C#N)nc(NC[C@H]2CCC[C@@H]2c2ccccc2)n1 1651096015 JYLQAYHRQZCMHT-NVXWUHKLSA-N 292.386 3.653 30 20 CHED C=CCCCCC[C@H](C)Nc1cccc(-c2nn[nH]n2)c1 1588594720 ZSFXJGWUZKSAQQ-ZDUSSCGKSA-N 285.395 3.804 30 20 CHED C=CCCCC[C@H](C)Nc1cc(F)cc(-c2nn[nH]n2)c1 1588593949 NHYNXKMGRDRHGT-NSHDSACASA-N 289.358 3.553 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)Nc1cc(C#N)ccc1C 1659653806 PHZWQZWZQZDEBM-UHFFFAOYSA-N 291.354 3.770 30 20 CHED N#Cc1cc(F)ccc1CN1CCc2c(Cl)cccc21 1652807489 KIIGOAJXNIFLOF-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1cccc(C#N)c1 1665581916 FORFHEKKHGWPKH-SWLSCSKDSA-N 285.391 3.895 30 20 CHED C[C@@H]1[C@@H](CNC(=O)Nc2cccc(CC#N)c2)CCC[C@H]1C 1661888541 UYNUXHCQRLUWBZ-IJEWVQPXSA-N 299.418 3.946 30 20 CHED CC(C)CCSCCC(=O)Nc1cccc(C#N)c1 231604126 MDEXXZLOURZADB-UHFFFAOYSA-N 276.405 3.666 30 20 CHED O=C(O)c1cc(NN=C2CCC[C@H](C3CC3)C2)ccc1F 1776062401 SCTNOMDGRLJJQW-NSHDSACASA-N 290.338 3.892 30 20 CHED Cc1ccc(F)c(NN=C2CCc3cccc(C(=O)O)c32)c1 1776048162 WCSYINFMYVCJDQ-UHFFFAOYSA-N 298.317 3.595 30 20 CHED CC(C)[C@H]1CCCCCC1=NNc1ccc(C(=O)O)nc1 1776071857 WTIRDBOUSBEALY-CYBMUJFWSA-N 289.379 3.784 30 20 CHED Cc1c(NN=CC2Cc3ccccc3C2)cccc1C(=O)O 1776087899 DNFMHWGYOJMCAM-UHFFFAOYSA-N 294.354 3.506 30 20 CHED C=CCN(C)C(=O)c1ccc(OCc2ccccc2)cc1 161495963 UMNUCDLWTHFIFS-UHFFFAOYSA-N 281.355 3.524 30 20 CHED Cn1cc(CNc2ccc(C#N)cc2)c(-c2cccs2)n1 162047638 JRWCHTSBAWRCEF-UHFFFAOYSA-N 294.383 3.632 30 20 CHED CCCCCCCCN[C@H](C)C1CCN(C)CC1 160809641 AYLRHKZYEGFUMS-OAHLLOKOSA-N 254.462 3.667 30 20 CHED CCCCCCCCNCc1cncn1C(C)C 160814761 CYWGTEGNUXZRQK-UHFFFAOYSA-N 251.418 3.914 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(C#N)c(C#N)c2)CCC1 153609759 NZPCSQAYVZNBJN-UHFFFAOYSA-N 281.359 3.585 30 20 CHED Cc1nc(-c2ccc(OC[C@@H](C#N)CCC#N)cc2)cs1 155000277 SAYKSJRJOQMUOL-CYBMUJFWSA-N 297.383 3.941 30 20 CHED C=CCCNc1ccccc1NC(=O)c1cccs1 157173683 CFVAOQYFFGZKSR-UHFFFAOYSA-N 272.373 3.988 30 20 CHED C[C@@H](C#N)Oc1ccc(-c2nc3ccccc3[nH]2)cc1 154262292 ZPNYXCKSOCINHQ-NSHDSACASA-N 263.300 3.521 30 20 CHED C=C(C)CN(CC)Cc1cnc(C2CCC2)s1 159011638 IWNGGPQNTXIISI-UHFFFAOYSA-N 250.411 3.809 30 20 CHED C[C@@H](CC(=O)NC(C)(C)C#N)c1cccc(C(F)(F)F)c1 159521534 LFLISXASGIONHG-JTQLQIEISA-N 298.308 3.617 30 20 CHED Cc1cc(C)c(C(=O)Nc2cccc(C#N)c2)c(C)c1 19436643 PHAYGTWMXHJOPH-UHFFFAOYSA-N 264.328 3.736 30 20 CHED N#CC1(c2ccc(F)c(C(F)(F)F)c2)CCC(=O)CC1 261507886 NGFOAYIKKUONDF-UHFFFAOYSA-N 285.240 3.749 30 20 CHED C=CCCCCN1CCC([C@H](O)c2ccccc2)CC1 827350890 XRXAITIOHNDVBK-GOSISDBHSA-N 273.420 3.788 30 20 CHED Cc1ccc(C#N)cc1OC[C@@H](O)c1cccc(Cl)c1 155274009 RZAOUTBGRVJDNT-OAHLLOKOSA-N 287.746 3.633 30 20 CHED CCCc1ccccc1NC(=O)c1cccc(C#N)c1 32078885 TWVWWKLMFLLNPJ-UHFFFAOYSA-N 264.328 3.763 30 20 CHED Cc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 37748596 PZVVOPCYFQCDEY-CQSZACIVSA-N 250.345 3.718 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 459777429 VVCXKNABPAYBEP-HYVNUMGLSA-N 257.377 3.530 30 20 CHED Cc1nc(N[C@@H]2CCO[C@H](C(C)C)C2)c(Cl)cc1C#N 292782964 XMAHKTJZGYTONU-OCCSQVGLSA-N 293.798 3.531 30 20 CHED CCN(CCSC1CCCCC1)C[C@@H](C)C#N 501165236 UYXIQBPBYMHKIF-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED Cc1ccc([C@H](C)Nc2ccc(C#N)c(C)n2)cc1 311796322 CWDLTPRYAXNJSF-LBPRGKRZSA-N 251.333 3.743 30 20 CHED C[C@H](c1ccccc1F)N(C)c1ncc(C#N)cc1Cl 513639817 GLUYBMHULRWRET-SNVBAGLBSA-N 289.741 3.943 30 20 CHED C=CCC(C)(C)CNCc1cccc(O)c1Cl 328074136 AKBLPQCYGGXWOH-UHFFFAOYSA-N 253.773 3.738 30 20 CHED CC[C@H](C)[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 86037509 YTPAAIFCNWFRTM-HOBHPSKFSA-N 256.393 3.635 30 20 CHED COc1cccc(F)c1NCc1ccc(CC#N)cc1 358191051 URAHMLYXWSAMNK-UHFFFAOYSA-N 270.307 3.512 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2c(F)cccc2Cl)c1 720293849 PQSFLTKICCEXMI-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC[C@H](C)[C@@H](CNc1cc(Cl)ccc1C#N)OC 381295740 PGSMFGTYAQAPEI-IINYFYTJSA-N 266.772 3.685 30 20 CHED N#Cc1ccc(OC[C@@H]2CCCC2(F)F)c(F)c1 394443012 LOAKSXDLDWNWGQ-JTQLQIEISA-N 255.239 3.512 30 20 CHED C=CCOC(=O)CCSc1ccc(Cl)cc1 916593953 YAGVSVKTNJOPRH-UHFFFAOYSA-N 256.754 3.551 30 20 CHED N#CCc1ccc(CN2CCC3(CCCC3)CC2)cc1 399103506 HGZYIHJCNFKTGK-UHFFFAOYSA-N 268.404 3.909 30 20 CHED CCCCCCCC(=O)Nc1cccc(OC(=O)NC)c1 1756412 YXWKWGOTOWWYAH-UHFFFAOYSA-N 292.379 3.704 30 20 CHED C=CCCOC(=O)c1nc(-c2ccccc2)oc1C1CC1 103645938 UBOOFJRLUMYJJQ-UHFFFAOYSA-N 283.327 3.952 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1ccc(O)c(F)c1 107417718 NEHFSDJQLLMJNZ-GQCTYLIASA-N 278.229 3.706 30 20 CHED CCn1cc(C(=O)/C=C/c2cc(C)c(C)cc2C)cn1 109197371 IRIXSCUDPBGWTG-VOTSOKGWSA-N 268.360 3.724 30 20 CHED Cc1ccc(Cl)cc1NC=C1C(=O)CC(C)(C)CC1=O 10120771 PCGVZPLEVDDJAB-UHFFFAOYSA-N 291.778 3.902 30 20 CHED Cc1cc(C)c(C[S@@](=O)Cc2ccc(C#N)cc2)c(C)c1 178033105 UMBKOQFQQGOKJE-NRFANRHFSA-N 297.423 3.932 30 20 CHED CCC(CC)c1cc(CNCc2cccc(C#N)c2)on1 174547616 QGJNSFTXZSWBEJ-UHFFFAOYSA-N 283.375 3.740 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCc3cc(C)no3)c2c1 174701053 GLWZJRVLQDNLBA-UHFFFAOYSA-N 292.342 3.632 30 20 CHED N#CCCCCN(Cc1ccco1)Cc1ccco1 57625091 FMBPUJMGHJQUCW-UHFFFAOYSA-N 258.321 3.569 30 20 CHED CCC(CC)NC(=O)N[C@@H](CCC#N)c1ccccc1 178762231 OTADXQPHVMPXCT-HNNXBMFYSA-N 273.380 3.519 30 20 CHED C=CC[C@H](C)N[C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C 248696966 DOSFITGSUXNMRL-RRFJBIMHSA-N 296.455 3.719 30 20 CHED Cc1ccccc1-n1nc(C)c(CN(C)CCCC#N)c1C 55055421 UYGILOMHNBTJIT-UHFFFAOYSA-N 296.418 3.533 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 111419393 GTJQWWGLWWQGJE-UHFFFAOYSA-N 264.756 3.770 30 20 CHED C=CCN(C(=O)COc1ccc(C)cc1C)c1ccccc1 61348127 APYAMNWEWMEUSZ-UHFFFAOYSA-N 295.382 3.901 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(C#N)cs1 177517719 OYJMXENFNOXMCG-IUODEOHRSA-N 296.395 3.638 30 20 CHED C=CC1CCN(C(=O)[C@H](C)CSc2ccccc2)CC1 110361079 GADNOXNLMCCBNN-CQSZACIVSA-N 289.444 3.839 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 174715730 OGTOSIUAJWSXTJ-KRWDZBQOSA-N 285.391 3.797 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(CN(CC)C(C)C)cc1 116855299 PSFUSVVLMXXJPT-HNNXBMFYSA-N 288.435 3.611 30 20 CHED Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](C#N)C1CC1 177036405 IQGYBPZVFMODIW-CYBMUJFWSA-N 298.367 3.578 30 20 CHED COc1ccc([C@@H](C)CN(C)Cc2ccc(C#N)cc2)cc1 179682988 NOBYXAZTCAHZPU-HNNXBMFYSA-N 294.398 3.802 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c[nH]nc1-c1ccccc1 179780118 XITVCJZVTIWKJP-ZDUSSCGKSA-N 283.375 3.551 30 20 CHED C=CCC(CC=C)C(=O)N1CC=C(c2ccc(O)cc2)CC1 176926701 YYWSFXXGSXZISV-UHFFFAOYSA-N 297.398 3.776 30 20 CHED C=C(C)[C@H](Nc1nccc(C)n1)c1ccc(F)c(F)c1 302460399 VDWFZNVQOLHTAH-AWEZNQCLSA-N 275.302 3.793 30 20 CHED C#CCCCOC(=O)/C=C/c1ccccc1O[C@H](C)CC 303298435 POICCWHFTKIQIV-RDRICISKSA-N 286.371 3.834 30 20 CHED C=C(C)COCC/N=C(\N)Nc1ccc([C@@H](C)CC)cc1 305036397 BLBFZQSOLIRVPN-AWEZNQCLSA-N 289.423 3.519 30 20 CHED C=C(C)CN1CCC(c2c[nH]c3ccc(OC)cc23)CC1 66436666 XSHANSSNKNQEEK-UHFFFAOYSA-N 284.403 3.932 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CCc3cc(F)ccc32)c1 302130137 XTTZPAVAFLHCTA-QGZVFWFLSA-N 294.329 3.999 30 20 CHED Cc1cc2cc(/C=C/C(=O)c3cn(C)nc3C)oc2cc1C 178549155 NPYUNBNQTYTEPL-AATRIKPKSA-N 294.354 3.988 30 20 CHED C=C[C@H](C)Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 129287065 KXLUTSYQNDAJRY-VIFPVBQESA-N 294.280 3.544 30 20 CHED N#Cc1ccc(NCCCCOc2ccc(F)cc2)cc1 301091298 RKYDPNHGFVAPNF-UHFFFAOYSA-N 284.334 3.968 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCc2c(Br)cccc21 126068711 XUULOFFUOFKNQJ-QMTHXVAHSA-N 280.209 3.991 30 20 CHED N#CC1(COC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CCCCC1 1344697940 KOZWZWOPZQAZAK-GVDBMIGSSA-N 295.382 3.590 30 20 CHED CC[C@@H]1CCCCN1CCNc1cc(Cl)ccc1C#N 303793379 QQGJWGAGPWRYCZ-OAHLLOKOSA-N 291.826 3.888 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 69343649 VAWIYQVKPMDZRX-QWHCGFSZSA-N 295.810 3.841 30 20 CHED C[C@H]1CCCCN1C[C@H]1CCCN(CCC(C)(C)C#N)C1 409446733 POTQSKYZACELRR-IRXDYDNUSA-N 291.483 3.513 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc([S@](C)=O)cc1 182182725 BZQQQTBGLPDAMH-NJSLBKSFSA-N 279.449 3.819 30 20 CHED C=CCSCCNC(=O)Nc1ccc2occ(C)c2c1 187968087 OZLZOVIEQHCMIK-UHFFFAOYSA-N 290.388 3.782 30 20 CHED CCCC[C@H](C)C(=O)Nc1nc2cc(C#N)ccc2n1CC 409996144 DMLNUNDGUZMDHL-LBPRGKRZSA-N 298.390 3.693 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)c(F)c1 37748458 NNDLOZLENKBUJN-GFCCVEGCSA-N 284.334 3.557 30 20 CHED Cc1cscc1NC(=O)Nc1ccc(F)cc1C#N 121283715 WNSSTVHCTYFPTH-UHFFFAOYSA-N 275.308 3.711 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(C)c([N+](=O)[O-])c1 213946533 PMVYMCAWAJRKJW-KTKRTIGZSA-N 297.310 3.808 30 20 CHED CC(C)CCN(CCC#N)Cc1cnn(-c2ccccc2)c1 72691387 XDGARKODHRRJGC-UHFFFAOYSA-N 296.418 3.634 30 20 CHED O=C(/C=C\c1ccc(O)cc1)c1ccc(F)cc1F 211154499 UIQIIHXDVKWOAN-BAQGIRSFSA-N 260.239 3.567 30 20 CHED CCCCc1nc2ccccc2n1C[C@@H](C#N)CCC#N 32514450 USSXDKUPISTTCP-CQSZACIVSA-N 280.375 3.822 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC(C)C)c(OC)c1 183892172 DKTYVXCJZIPRFF-UHFFFAOYSA-N 289.375 3.615 30 20 CHED C[C@H](NCCCNc1ccccc1)c1cccc(C#N)c1 181773560 ZZQYEWJCVSGRDM-HNNXBMFYSA-N 279.387 3.711 30 20 CHED CCC(CC)[C@H]1C[C@H](NCc2cc(C#N)cs2)CCO1 180374828 KHBDKWNYQOTMBP-GDBMZVCRSA-N 292.448 3.693 30 20 CHED Cc1ccccc1NCc1ccc(N(C)CCC#N)cc1 121270788 SCPHIXLNXOGHRH-UHFFFAOYSA-N 279.387 3.957 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)Cc2ccccc2F)c1 78109957 YWPXIGDEXQSVSG-AWEZNQCLSA-N 295.357 3.649 30 20 CHED C[C@@H](NC(=O)[C@@H](C)c1cccs1)c1ccc(C#N)cc1 78058533 KFVBXPUNGOPAIL-NWDGAFQWSA-N 284.384 3.601 30 20 CHED C=CCC1(NC(=O)c2ccccc2[N+](=O)[O-])CCCCC1 411055355 DDMWAPFZQULJDX-UHFFFAOYSA-N 288.347 3.604 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1coc(C)c1 186848007 IKPBYSOEKQXSPE-UHFFFAOYSA-N 261.365 3.797 30 20 CHED Cc1cc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c(C)o1 416095513 CCZOWUJATMACAG-KRWDZBQOSA-N 294.354 3.576 30 20 CHED COc1cc(C#N)ccc1CNC1(c2ccccc2)CCC1 121285048 VVEGGTHNGYNQCW-UHFFFAOYSA-N 292.382 3.736 30 20 CHED CCOc1ccc(CCC(=O)Nc2ccccc2C#N)cc1 76708615 FGVIOUMHAOBBQU-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cncs1 414291115 ASFSLYKDJWMQTL-UKRRQHHQSA-N 272.417 3.981 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CCCC1 410523304 BUFXDHMXSLNAEC-GJZGRUSLSA-N 261.409 3.914 30 20 CHED Cc1ccc(C(C)(C)CN(C)[C@H](C)CCC#N)cc1 411288318 CAYSMSLDKUDNHB-OAHLLOKOSA-N 258.409 3.897 30 20 CHED N#CCCCN[C@@H](c1ccc(F)cc1)C1CCCC1 180302248 LDRCBNYFDLGUQT-MRXNPFEDSA-N 260.356 3.950 30 20 CHED C=C(Br)CNCc1ccc(Cl)c(Cl)c1 122712784 CBFBHNOYTCEAQZ-UHFFFAOYSA-N 295.007 3.992 30 20 CHED C[C@H](CCc1ccccc1)N[C@H]1CCC[C@H](C#N)C1 185758887 MZUAEFBXAISNIS-PVAVHDDUSA-N 256.393 3.680 30 20 CHED C=CCn1c(C)nnc1S[C@H](C)c1c(F)cccc1F 71960030 NBQWZVVZWLFCDX-SECBINFHSA-N 295.358 3.904 30 20 CHED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 185829149 VBHRWLAZAPLIEJ-XJKSGUPXSA-N 274.383 3.775 30 20 CHED C=CC[C@@H](C(=O)Nc1cnccc1C)c1ccccc1 187625877 RQPHNBRGDVTZAT-OAHLLOKOSA-N 266.344 3.688 30 20 CHED CCn1nc(CNc2cc(C#N)ccc2C)c2ccccc21 316294007 INIORPPZKNANAC-UHFFFAOYSA-N 290.370 3.848 30 20 CHED COc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1C#N 132657208 ZPHWUBNABHEGQA-OVCLIPMQSA-N 289.334 3.698 30 20 CHED C=C(C)CN(C)[C@H](C)C(=O)Nc1ccccc1C(C)C 181246223 ODGANVCSBZVHMM-CQSZACIVSA-N 274.408 3.645 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C(CC)CC)no1 133077766 SQJPXHYYTREOCI-UHFFFAOYSA-N 264.369 3.616 30 20 CHED C[C@H](NC(=O)N(C)C[C@@H](C)C#N)c1cccc2ccccc12 43236986 FPKHZLNAOCHPGM-KBPBESRZSA-N 295.386 3.702 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H](C)c1nccs1 183950227 LIHPLJGRNCOLHF-OLZOCXBDSA-N 285.416 3.811 30 20 CHED Cc1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)cc1Cl 612036810 RBIDGDDXTBVNEF-OAHLLOKOSA-N 291.782 3.806 30 20 CHED C=CC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 523610515 ZOWOPVIFEQLIPF-UHFFFAOYSA-N 285.309 3.983 30 20 CHED CC[C@@H]1CCC[C@@H]1/N=C(/O)c1csc([C@H]2CCCO2)n1 328871295 PZWBFAKQVMTJJT-NTZNESFSSA-N 294.420 3.878 30 20 CHED Cc1c(NC(=O)[C@H]2CCCC[C@H]2C)ccc(C#N)c1C#N 425622545 NXSIBVBNNCVANC-RISCZKNCSA-N 281.359 3.503 30 20 CHED Cc1cc(C)c(C#N)c(S[C@@H](C)C(F)(F)F)n1 134575295 CLBQIOCYPXJFOK-QMMMGPOBSA-N 260.284 3.613 30 20 CHED CC(C)CNC(=O)[C@H](C)S[C@H](C)c1cccc(C#N)c1 190915534 MPJXTZAUAMDOKW-OLZOCXBDSA-N 290.432 3.513 30 20 CHED C=CCC(CC=C)C(=O)N1CCN(C2CC2)c2ccccc21 426386112 VAKSXCWHSPJOQC-UHFFFAOYSA-N 296.414 3.770 30 20 CHED CCCCCN(C(=O)c1ccnc(C#N)c1)[C@@H](C)CCC 192937924 QGAYENBDXSENIG-AWEZNQCLSA-N 287.407 3.774 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1cccc(C#N)c1 512233615 KNDZXOWSMODDET-HIFRSBDPSA-N 285.391 3.896 30 20 CHED Cc1nnc(NC[C@]2(C)C[C@H]2c2ccccc2)c(C#N)c1C 518570276 UKEPCXANWVXGQI-WMZOPIPTSA-N 292.386 3.571 30 20 CHED C[C@H](SCC[C@@H]1CCCO1)c1ccc(C#N)cc1 190041004 LUXVMVVZIAJJDH-WFASDCNBSA-N 261.390 3.922 30 20 CHED C=CCC1(C(=O)OCc2nc(C3CC3)cs2)CCC1 192115220 ZRMLXIBSZRUTMX-UHFFFAOYSA-N 277.389 3.810 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1nc(C)c(C)s1 81668688 PQVJCBFUNLGFPP-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C=CCCCCCN(C)C(=O)c1cc[nH]c1CCC 421769903 ATSAEAYTKFRLRK-UHFFFAOYSA-N 262.397 3.786 30 20 CHED Cc1noc(C)c1N=C(O)N1CCCC12CCCCC2 328805447 BZTLJORKZQFHIQ-UHFFFAOYSA-N 277.368 3.636 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)nc1 89269336 KBCMZYHXLBULCX-ZBFHGGJFSA-N 299.761 3.549 30 20 CHED Cc1cccnc1[C@@H](NCc1ccc(C#N)c(F)c1)C(C)C 192106384 QGSDCMCXVSBOEP-KRWDZBQOSA-N 297.377 3.888 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)cc1 220154805 ZAOGBUANZFEGMB-LZCJLJQNSA-N 288.249 3.559 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](CC)c1ccc(OC)cc1 191810217 CKMZEWUUSBBWQC-WBVHZDCISA-N 275.392 3.865 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCC[C@H](C)C1 512212089 MOAPMTHXMHFIBG-HOTGVXAUSA-N 291.435 3.976 30 20 CHED CC(C)(CCC#N)CNc1cccc(Br)n1 381473517 NMARUOYDLGYIOV-UHFFFAOYSA-N 282.185 3.586 30 20 CHED CCCCCCCCC[S@](=O)C[C@H]1CCCO1 191644085 XLKFSMNALXFBIT-PBHICJAKSA-N 260.443 3.665 30 20 CHED Cn1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c1C1CCC1 334816428 CEKKLPQBLJKXDS-UHFFFAOYSA-N 297.333 3.556 30 20 CHED C[C@H]1C[C@@H](/N=C(/O)N(C)Cc2cccc(C#N)c2)CC[C@H]1C 330811081 ATSNGYZEQZTYLV-KEYYUXOJSA-N 299.418 3.729 30 20 CHED C=CCCCCCSc1nnc2cc(C)nc(C)n12 195438103 ZGYRVXFEPMUNNN-UHFFFAOYSA-N 276.409 3.580 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C(C)(C)C 510302617 GBENSFFFSLYMOD-CYBMUJFWSA-N 278.783 3.766 30 20 CHED COc1ccc(O)c([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 192755217 ZTWUOIMPBXGLPG-OLZOCXBDSA-N 296.370 3.684 30 20 CHED Cc1cccc(CNc2nc(Cl)c(C#N)s2)c1 235909726 UPZUCHPMAKMDDO-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](C)[C@@H](C)CC)c1 512723715 XBNFBPBPOXXPAQ-STQMWFEESA-N 276.380 3.808 30 20 CHED C=C[C@@H]1CCCCN1Cc1cn(-c2ccccc2)nc1C 426571719 VUXCPTNQWYEEJE-QGZVFWFLSA-N 281.403 3.721 30 20 CHED N#Cc1ccc(OCc2noc3c2CCCC3)cc1Cl 190268019 BSUDEQLGIWCWPT-UHFFFAOYSA-N 288.734 3.657 30 20 CHED Cc1ccc(C#N)cc1NCc1cnoc1-c1ccco1 338204437 JZJDDAVQCXRNMV-UHFFFAOYSA-N 279.299 3.727 30 20 CHED CCN(CCC#N)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94543962 XOCYUWOCPSEAAX-JGAFYBCUSA-N 288.435 3.745 30 20 CHED Cc1cc(CSc2nncn2C(C)(C)C)ccc1C#N 331332828 IRRVNCXSWIVCMC-UHFFFAOYSA-N 286.404 3.506 30 20 CHED CCS[C@@H]1CCC[C@H]1NCCCCC(C)(C)C#N 233840454 UMJOBUWFCYTZTM-ZIAGYGMSSA-N 268.470 3.970 30 20 CHED C=CCCCCNC/C=C/c1ccc(F)c(F)c1 511925228 HCZZUFDNUBFCRF-VOTSOKGWSA-N 251.320 3.924 30 20 CHED CC(C)[C@H]1CCCCN1Cc1ccc(O[C@@H](C)C#N)cc1 93444072 UPRAPOMURATILH-MAUKXSAKSA-N 286.419 3.988 30 20 CHED CC(C)c1ccc(/C(O)=N/C[C@@H]2CCO[C@H](C)C2)c(O)c1 331239640 OKEYVFZDAVUDMP-CHWSQXEVSA-N 291.391 3.635 30 20 CHED C=CCC(C)(C)c1nc(-c2cc(C)c(O)c(C)c2)no1 436785262 UAUUSKNIGRYLBM-UHFFFAOYSA-N 272.348 3.913 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCOc2cccc(F)c2C1 338327151 KUPLFHHMGPMJCX-CYBMUJFWSA-N 296.345 3.653 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1nccs1 90665220 GVPFTCHOEOMFSW-TZMCWYRMSA-N 271.389 3.839 30 20 CHED C=CCOc1ccccc1-c1nc(-c2ccc(O)cc2)no1 436565583 NPLYETGGIOSOTE-UHFFFAOYSA-N 294.310 3.674 30 20 CHED N#Cc1[nH]c(=NC[C@@H]2CCCc3ccccc32)ccc1Cl 520243553 SAOPZGDDVBETNB-ZDUSSCGKSA-N 297.789 3.561 30 20 CHED CCN(Cc1cnc(-c2cccs2)s1)C[C@H](C)C#N 91983564 AOWDSPZLQCVQNW-LLVKDONJSA-N 291.445 3.853 30 20 CHED C[C@@H]1CCC[C@@H]1CNc1nc(Cl)c(C#N)s1 230691111 SFLHCQBOQURLRH-HTQZYQBOSA-N 255.774 3.516 30 20 CHED CCN(Cc1cnc(-c2ccc(C)o2)s1)C[C@H](C)C#N 91984062 RSFCGBNEJZIWCY-LLVKDONJSA-N 289.404 3.693 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cc(F)cc(F)c1 347301257 MBKCWXOMYNKRHD-HNNXBMFYSA-N 267.319 3.526 30 20 CHED CCC[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 345481215 IUDPIGSZMJHYBS-CQSZACIVSA-N 299.418 3.870 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1F 248906158 UVRWYOKYAXENCF-QJPTWQEYSA-N 264.319 3.698 30 20 CHED Cc1cc(CN(C)c2c(C#N)cccc2C#N)ccc1F 436428424 DENIECYSECGAAI-UHFFFAOYSA-N 279.318 3.514 30 20 CHED N#Cc1cccc(C2(C(=O)NCCC3=CCCCC3)CC2)c1 435045768 XUROOBRHBDKTKI-UHFFFAOYSA-N 294.398 3.597 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(C)s1 346895920 MGFRKTOMZQHXGM-UHFFFAOYSA-N 285.372 3.612 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(C#N)cc(C)n1 342913184 SOZRUBBMGNPNGZ-SJCJKPOMSA-N 299.349 3.589 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C)n(C2CCCCC2)n1 345083765 UOYKFQKUZTWMQY-UHFFFAOYSA-N 287.407 3.511 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CC(C)(C)C#N 346152037 OYFRMWNXTFTYFM-LBPRGKRZSA-N 284.359 3.892 30 20 CHED CC[C@@H](NCCc1cccc(C#N)c1)c1cccc(F)c1 343618699 UFJCGKBRZWKLAQ-GOSISDBHSA-N 282.362 3.981 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)C1 345167078 OFFJESUWEVEWSB-GXTWGEPZSA-N 286.375 3.720 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(-c2ncco2)c1 528897011 XEDOGLISTLBMAK-UHFFFAOYSA-N 283.331 3.610 30 20 CHED CC(C)(C)CCCCNC(=O)c1ccc(C#N)cc1 609178995 KWUFHSBUPCKIET-UHFFFAOYSA-N 258.365 3.504 30 20 CHED CCCCCOc1ccc(C(=O)N[C@@H](C#N)CCC)cc1 522586180 GYMCSLHSYHWGME-OAHLLOKOSA-N 288.391 3.678 30 20 CHED C[C@H]1SCCN(CC#Cc2cccc(Cl)c2)[C@@H]1C 438100686 MSKACRAFBPIDPZ-CHWSQXEVSA-N 279.836 3.517 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C(C)C)sc2ccc(F)cc12 347283098 XRUWYVOIJMXWSV-LBPRGKRZSA-N 290.363 3.627 30 20 CHED C=C(CC)CN1CCO[C@H](c2ccccc2Cl)C1 536894962 XXVQGVFVGCBSNB-HNNXBMFYSA-N 265.784 3.680 30 20 CHED CC1(C)C(NC(=O)N[C@H](CCC#N)c2ccccc2)C1(C)C 438846420 JWNDZMKQJNBEPN-CQSZACIVSA-N 299.418 3.765 30 20 CHED C[C@H]1C/C(=C\c2cncs2)C(=O)c2ccccc21 255831289 XVFWQTVOPZNTNZ-VUBLIPMDSA-N 255.342 3.917 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2ccccc2CC#N)C1 601619935 FIYSAKNCRZVCOH-CQSZACIVSA-N 284.403 3.651 30 20 CHED COc1ccc(-c2ccc([C@H]3CCCN3)cc2)c(C#N)c1 600788927 BXYDUGOWFXRMOI-GOSISDBHSA-N 278.355 3.658 30 20 CHED CC[C@H](CC#N)NCc1cc(Cl)c(OC)cc1Cl 184092141 NTISHMNVOJNMHY-SNVBAGLBSA-N 287.190 3.784 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(OC)c(F)c2)o1 255335266 NYZYAFQGEDSQFQ-DAXSKMNVSA-N 274.291 3.886 30 20 CHED N#Cc1cccc(N[C@@H]2CCC[C@H]2c2ccccc2)n1 522904171 DKAUIVNUHLNETL-JKSUJKDBSA-N 263.344 3.701 30 20 CHED C[C@H](CCC#N)CN[C@H]1CC(C)(C)Oc2ccc(F)cc21 602699284 PJJGTRWVOQUWQU-DOMZBBRYSA-N 290.382 3.957 30 20 CHED C=CCCCC[C@@H](C)NCCC(=O)N1CCCCCC1 449219011 LUMVOAMROZUZNL-MRXNPFEDSA-N 280.456 3.504 30 20 CHED COc1cccc(C=Nc2cccc(C)c2C)c1O 254761442 ACOJPKQGJLRAAH-UHFFFAOYSA-N 255.317 3.768 30 20 CHED C=C(C)CCN[C@H]1CCc2cc(F)c(F)c(F)c21 449470972 BVNGYJXDLVHQCH-NSHDSACASA-N 255.283 3.647 30 20 CHED C=C1CCN(CCOc2ccc(F)cc2Cl)CC1 536733228 WRKZPBPWVJOAGE-UHFFFAOYSA-N 269.747 3.510 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2ccc(O)cc2)CC1 602436477 NXHJHYHNJCCPJE-AWEZNQCLSA-N 272.392 3.511 30 20 CHED C=CCOc1ccc(CN2CCC[C@H]2C)cc1Cl 539831184 WVHBBZIFPBBPJH-GFCCVEGCSA-N 265.784 3.889 30 20 CHED Cc1cccc2c1CC[C@H]2NCc1ccc(C#N)cc1F 533308832 OXVVCTVNFLZGQB-GOSISDBHSA-N 280.346 3.783 30 20 CHED CN(C(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1F 609216665 SAOMNYCRIWQUBJ-UHFFFAOYSA-N 294.738 3.689 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(F)c2)C1 353551813 WFWRBWLPPANQNF-BXUZGUMPSA-N 289.354 3.740 30 20 CHED N#CCCCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 263970610 PYFQNKVVYJIMHN-HNNXBMFYSA-N 296.374 3.567 30 20 CHED CC[C@H](CN[C@H]1CC[C@H](C#N)C1)Oc1cccc(Cl)c1 442844422 LREKEYQSGSBEFI-AEGPPILISA-N 292.810 3.779 30 20 CHED COc1ccc([C@H]2CCCN2C[C@H](C)CCC#N)cc1 618887018 FNTJRYHGWNSLCN-RHSMWYFYSA-N 272.392 3.772 30 20 CHED CC(C)COc1ccc(CN(CCC#N)CC2CC2)cc1 353407174 WIVUCIULNBUFAT-UHFFFAOYSA-N 286.419 3.847 30 20 CHED C[C@H](Cc1ccccc1F)N[C@H]1CCc2cc(C#N)ccc21 618806961 SMJPWDIUCGNFSD-YJYMSZOUSA-N 294.373 3.905 30 20 CHED Cc1cc(CCNc2ccc(C#N)nc2)ccc1Cl 359956555 YEFMOVMFVOCSOI-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CCC(CC)c1cc(CNc2nc(C#N)ccc2C)on1 611399576 QXFMTDSJAXESPN-UHFFFAOYSA-N 284.363 3.765 30 20 CHED C=CC[C@H](CC)NC(=O)NCCCSc1ccccc1 537510478 MOWCRTCBVVFBMT-AWEZNQCLSA-N 292.448 3.823 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NCCC#N 355544072 IVVRDMBQKLAOTE-XOYHFGRZSA-N 276.424 3.649 30 20 CHED C=CCC1(NC(=O)CCc2ccsc2)CCCC1 619106305 NFJYJOFFUPHWSA-UHFFFAOYSA-N 263.406 3.686 30 20 CHED N#CC1(C(=O)Nc2ccc3occc3c2)CCCCC1 530006407 RQHOUVBKFFWDDX-UHFFFAOYSA-N 268.316 3.845 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(N2CCCC2)c1 613271781 JEVRJICGTNNCKO-HNNXBMFYSA-N 286.419 3.761 30 20 CHED Cc1cccc2c1CCCN2C(=O)c1ccc(C#N)s1 610521901 BUPMFQKRLSRLBX-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C[C@@H](NC(=O)[C@@H]1CCCC(C)(C)C1)c1ccc(C#N)cc1 535137309 IPSVVEONPNSQEZ-CZUORRHYSA-N 284.403 3.952 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc[nH]c1C(C)C 352641766 XTXMBDPRTVLBAL-UHFFFAOYSA-N 289.423 3.930 30 20 CHED CCc1cc(NCCCCC#N)c2ccccc2n1 269743672 MCGLJUHZUNZUQE-UHFFFAOYSA-N 253.349 3.903 30 20 CHED Cc1ccc2oc(C(=O)N(CCC#N)CC3CC3)cc2c1 264130836 YPQMMKRCAMAWJR-UHFFFAOYSA-N 282.343 3.507 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(Cl)cc(C)c1O)OCC 533782538 QHTMRXUWKCGWPA-CYBMUJFWSA-N 297.782 3.664 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)Nc1cccc(CC#N)c1 455902177 FZCVQPUKKYAFSR-IRXDYDNUSA-N 299.418 3.897 30 20 CHED Cc1c(C(=O)Nc2ccc(C#N)cc2)cnc2ccccc12 360959009 VEJBFJZQEACZGK-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCCCCCN(C)CCC(=O)c1ccccc1 538619364 RHVYMHCNJJRHEI-UHFFFAOYSA-N 259.393 3.938 30 20 CHED C=CCC1(NC(=O)c2csc(C(C)=O)c2)CCCC1 619110079 DIULEXZFZFGRLX-UHFFFAOYSA-N 277.389 3.569 30 20 CHED C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CCC(C)(C)C#N)C1 368267531 QCFDZSIOSHEYMX-VQHPVUNQSA-N 292.467 3.578 30 20 CHED CCOP(=O)(/C=C/C(=O)c1cccs1)OCC 2332241331 WXEJWCRWWUGQAN-BQYQJAHWSA-N 274.278 3.711 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl 455703214 MBILNLSLMKLRPH-WDEREUQCSA-N 293.798 3.962 30 20 CHED C=C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 535151956 BLUPKGXAECBQIL-BZUAXINKSA-N 261.409 3.772 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2cccc(Cl)c2C1 458016059 OLPTUNHFLOBZQP-UHFFFAOYSA-N 277.795 3.827 30 20 CHED C=CCC1(C(=O)NCc2ccc3ncccc3c2)CCCC1 451338883 IKLOSPSXXJTYBW-UHFFFAOYSA-N 294.398 3.988 30 20 CHED C=C(CC)CNC(=O)CCc1ccc(-c2ccccc2)[nH]1 456831079 SHRLOADCKWMWCV-UHFFFAOYSA-N 282.387 3.697 30 20 CHED C[C@@H](Cc1ccsc1)N[C@H]1CCc2cc(C#N)ccc21 618805836 PHMWZVVFYFOMQY-SJCJKPOMSA-N 282.412 3.828 30 20 CHED C=CCCC1(C(=O)N(C)[C@H](C)c2ccccc2)CC1 361481578 OMNHZTODJWWNPB-CQSZACIVSA-N 257.377 3.952 30 20 CHED CC(C)c1ccc(C[C@H](C)Nc2cc(C#N)ncn2)cc1 617963468 PFXLMLGBZAYADZ-ZDUSSCGKSA-N 280.375 3.515 30 20 CHED C=CCC1(NC(=O)C(CC(C)C)CC(C)C)CCOCC1 618251689 PELSISDJFXMNTF-UHFFFAOYSA-N 295.467 3.936 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C(C)(C)C)C1 544261818 SLXIPNYVEPIJHC-CQSZACIVSA-N 285.391 3.767 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@H](C2CC2)C1)c1ccccc1 364417650 QHIDNYLJWCJNBB-SJORKVTESA-N 269.388 3.605 30 20 CHED C=CCCC1(C(=O)N(C)CCc2ccccc2C)CC1 452334878 WRUFWMXAWPXIEV-UHFFFAOYSA-N 271.404 3.742 30 20 CHED C=CCCCC(=O)Nc1ccc(CC#N)cc1Cl 452647860 TUPLLVXKQGLGJW-UHFFFAOYSA-N 262.740 3.701 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(C#N)CC1 455538554 KFEQRWDVIMDIJF-CVEARBPZSA-N 291.439 3.538 30 20 CHED C=C(C)CCNC(=O)[C@H](C)c1cccc(Cl)c1 452719981 VDRZSBNTJRPQQJ-LLVKDONJSA-N 251.757 3.526 30 20 CHED C=CCCCCNC(=O)N(Cc1cccs1)C1CC1 274702100 YLYAEGPXMDCXRT-UHFFFAOYSA-N 278.421 3.778 30 20 CHED Cc1nc(N[C@@H](CO)CCC(C)(C)C)c(Cl)cc1C#N 360074977 SJUKANUILYOQFL-GFCCVEGCSA-N 295.814 3.514 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccc(F)cc1)CC1CC1 455524220 PIWKCSQJJNTTPN-UHFFFAOYSA-N 290.382 3.714 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 366069770 YPHKATHLFKHSLO-YWTNHNAXSA-N 296.414 3.721 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1cc(C)ccc1OC 457931093 ATQFBVKURIQKDQ-SUMWQHHRSA-N 275.392 3.783 30 20 CHED CCc1nc(C[S@@](=O)CCCCC(C)(C)C#N)cs1 277833501 KCZDZHKJNQIACX-IBGZPJMESA-N 298.477 3.674 30 20 CHED C=CCCc1noc(CSCc2cccc(C)c2)n1 453247015 MTVZXZDUJJIOCH-UHFFFAOYSA-N 274.389 3.930 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)CC(F)(F)F 451249990 QOZZVMGFBQFKOY-QWRGUYRKSA-N 263.303 3.532 30 20 CHED C=CC[C@H](CC)Nc1cccc(C(=O)OC(C)(C)C)n1 549560769 MIWMVKOQMNVQRN-LBPRGKRZSA-N 276.380 3.804 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccc(F)c(Cl)c1 628156561 TUYIRFRUZOQTLL-UHFFFAOYSA-N 283.774 3.883 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1cccc(F)c1)C1CC1 466326657 TYHRFGTVVYZPJQ-OAHLLOKOSA-N 290.382 3.854 30 20 CHED CC(C)(C)c1cnc(S[C@@H]2CC[C@H](C#N)C2)o1 278557584 MHQBVFDMRQGZQJ-VHSXEESVSA-N 250.367 3.756 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)C1 464158505 JWTPDRFUXVAWLN-XJKCOSOUSA-N 264.413 3.647 30 20 CHED C#CCCCC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 277244838 PDFYIQMZELJGFQ-HNNXBMFYSA-N 257.377 3.626 30 20 CHED COc1ccc([C@H](C)NCCc2cccc(C#N)c2)cc1F 467437988 KXAYTLUQJWECRX-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1C[C@H]1C1CCCCC1 466090461 YAPKTLVXNNEKME-GJZGRUSLSA-N 264.413 3.563 30 20 CHED Cc1cc(C)c(CC(=O)N[C@@H](C#N)C2CCCCC2)c(C)c1 540223444 LCSXWHYEYZWYKC-SFHVURJKSA-N 298.430 3.743 30 20 CHED CN1CCN(c2c(Cl)cccc2C#N)Cc2ccccc21 462801642 HHNYCJTWFOAJMF-UHFFFAOYSA-N 297.789 3.668 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1[C@@H]1CCCO1 375296167 PAHYHZVNQWCQRL-GJZGRUSLSA-N 267.413 3.517 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCC(C)(C)CC1 466409562 NATDRMSJVQQMDW-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=Cc1ccc(CCNc2cc(C)nc(C#N)c2)cc1 461875232 AKQXRGLVXQNCEA-UHFFFAOYSA-N 263.344 3.559 30 20 CHED CC1(C)CCC[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C1 464158168 IEVXCWGZLOMAEL-MLGOLLRUSA-N 264.413 3.647 30 20 CHED CCN(CCc1cscn1)[C@@H](C)c1ccc(C#N)cc1 284353779 SHOKJAXUKKLGQU-ZDUSSCGKSA-N 285.416 3.640 30 20 CHED C=CCC1(C(=O)N2CCc3cc(Cl)ccc32)CCC1 553296380 APFSYRHBHYUSEM-UHFFFAOYSA-N 275.779 3.976 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCO[C@@H](CCC)C2)n1 551137804 BOMVBEKHTPIZLA-STQMWFEESA-N 278.396 3.986 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 464756335 MATFYENKKDSQDA-QWHCGFSZSA-N 272.392 3.500 30 20 CHED Cc1cc(C)c(C#N)c(SCc2scnc2C)n1 289698184 FJUJKIJXEUORNV-UHFFFAOYSA-N 275.402 3.627 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCOC1CCCCCC1)CC2 558492657 FSYZRONQSVARAG-IBGZPJMESA-N 298.430 3.875 30 20 CHED CC#CCCN1CCSC[C@H]1c1ccc(Cl)cc1 462317567 VLLQOJVQSCJSEO-HNNXBMFYSA-N 279.836 3.843 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2(CC)CCC2)cc1 558284813 HOZOJUVYPOODRW-OAHLLOKOSA-N 270.376 3.510 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OCCOC)cc1C 460020234 XZGNKUJRKKJUSO-UHFFFAOYSA-N 291.391 3.561 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)CCOCc1ccccc1 554642774 JKUBUGYFXCOWFA-CRAIPNDOSA-N 289.419 3.700 30 20 CHED C=CC[C@@H]1N(C(=O)c2cn(C(C)C)cn2)CCCC1(C)C 282487866 VVINMGUWNUHFNA-HNNXBMFYSA-N 289.423 3.671 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)c1c(F)cccc1F 801656935 CPZALGPVRSZUPK-UWVGGRQHSA-N 271.332 3.688 30 20 CHED Cc1noc(C)c1-c1ccc(OC(=O)CCCC#N)cc1 291646864 GRLVGWJVQKKRCP-UHFFFAOYSA-N 284.315 3.558 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nnc(Cc3cccs3)o2)C1 296005165 NDIVMTYBWOFPHT-GXSJLCMTSA-N 291.401 3.506 30 20 CHED C=C[C@@](C)(CC)C(=O)N1Cc2cccc(Cl)c2C1 290531954 OECBUJAVPFTRIS-HNNXBMFYSA-N 263.768 3.785 30 20 CHED Cc1cc(O[C@H](C)c2ccc(C#N)cc2)ccc1C#N 478820989 FYZZPUFIOHTPID-CYBMUJFWSA-N 262.312 3.878 30 20 CHED CC(C)[C@@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1 801910831 BNSZQYYBVXDIIC-IUODEOHRSA-N 280.799 3.555 30 20 CHED COc1cc(CCNCC(C)(C)CCC#N)ccc1Cl 293425346 NJGCWWWYRMZWMH-UHFFFAOYSA-N 294.826 3.811 30 20 CHED CCCCCCCCC(=O)N[C@H]1CSC[C@@H]1C 804501311 BDWHAYGLXKPUJQ-STQMWFEESA-N 257.443 3.605 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(OC)cc2)n1 560023655 GIQNOQUNZZKZGV-UHFFFAOYSA-N 272.348 3.523 30 20 CHED CCN(CCCC#N)Cc1ccccc1Br 299401273 VXGYHNRQHYKZSL-UHFFFAOYSA-N 281.197 3.575 30 20 CHED N#Cc1cc(NCCCCCOC2CCCCC2)ccn1 565496412 AXLUUIVIMRVWCQ-UHFFFAOYSA-N 287.407 3.885 30 20 CHED C=CCCCCNC(=O)c1ccc(N(CC)CC)cc1 474684481 COMHHCARRZGWLX-UHFFFAOYSA-N 274.408 3.619 30 20 CHED Cc1nc2cc(Nc3snc(C)c3C#N)ccc2s1 808016085 VWIRLCXSIPNDQC-UHFFFAOYSA-N 286.385 3.985 30 20 CHED N#Cc1ccc(CN2CCCCC[C@@H]2c2ccco2)nc1 562629657 KREDMDHRYQEAPN-MRXNPFEDSA-N 281.359 3.664 30 20 CHED N#CCSCCCOC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 805516640 KAWMGMSKSBOGKW-QLFBSQMISA-N 295.448 3.783 30 20 CHED N#CCCCCCC(=O)Oc1ccc(Cl)c(F)c1 808649824 NDVDIZDWLPWSKD-UHFFFAOYSA-N 269.703 3.859 30 20 CHED Oc1ccccc1/C=N/CC1CCC(F)(F)CC1 800720781 HCUIAJFBXKIIGW-LICLKQGHSA-N 253.292 3.637 30 20 CHED CCOc1cccc(/C=N\[C@@H]2c3ccccc3O[C@H]2C)c1O 809143109 MCUDQAMLYBUTAC-KJOMXZFQSA-N 297.354 3.732 30 20 CHED C[C@H](C#N)OCCSCc1ccc(F)c(Cl)c1 802751359 ITCGMEUESOPOAM-SECBINFHSA-N 273.760 3.641 30 20 CHED CC[C@H](CC(F)(F)F)N[C@@H]1CCc2ccc(C#N)cc21 569974892 XYUFDAZCUMABCA-TZMCWYRMSA-N 282.309 3.866 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)CCc1ccccc1F)C(C)(C)C 807881398 JGOHCXUGAAMYTR-XJKSGUPXSA-N 289.394 3.559 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@@](C)(C#N)C2CCCCC2)C1 562778214 IXHSVWGVZFUPRW-KEYYUXOJSA-N 276.424 3.791 30 20 CHED Cc1cc(C)c2c(c1)CN(Cc1cc(C#N)cs1)CC2 485701580 KSWWWIZFAYDHPM-UHFFFAOYSA-N 282.412 3.795 30 20 CHED C=CCSc1ccccc1C(=O)NCCC(C)C 485457433 RDNCUJWIMQPBEN-UHFFFAOYSA-N 263.406 3.741 30 20 CHED C=CCSc1ccccc1C(=O)OCC[C@H]1CCOC1 816434878 CHFQKXRBUSOXBX-CYBMUJFWSA-N 292.400 3.548 30 20 CHED N#Cc1nc(N(CC2CCC2)CC2CC2)ccc1Cl 481053881 QDMWWFJZGRUHSD-UHFFFAOYSA-N 275.783 3.623 30 20 CHED COc1ccc(CC(C)=NOCC(C)C)c(C)c1OC 814883878 FUNLFHOKPCWTCR-UHFFFAOYSA-N 279.380 3.603 30 20 CHED C#C[C@@H](NC(=O)c1ccoc1CC)c1ccc(Cl)cc1 811949427 XBBLDPZCEHMRLI-CQSZACIVSA-N 287.746 3.600 30 20 CHED CC[C@@H]1CCC1=NNc1nnc(-c2ccccc2)s1 814949076 SMXMLBNDIHEHQF-SNVBAGLBSA-N 272.377 3.793 30 20 CHED C#Cc1cccc(NC(=S)Nc2cc(C)n(C(C)C)n2)c1 817571385 OSMNPASKWBBPMI-UHFFFAOYSA-N 298.415 3.563 30 20 CHED N#C[C@H]1CCCC(=NNc2nccc3sccc23)C1 814808733 HHJATTYAGXTFDR-JTQLQIEISA-N 270.361 3.778 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1ccc(Cl)cn1 816033398 KZRKHXGVDCKWMD-QMMMGPOBSA-N 275.682 3.551 30 20 CHED CC(=NN[C@@H](C)COc1ccccc1)c1ccccc1F 811666100 XRHCBEDYPSYVLM-ZDUSSCGKSA-N 286.350 3.607 30 20 CHED C=CCCCC(=O)N(CC(C)(C)C)CC(F)(F)F 481430714 CFDMQUBKQXJWRD-UHFFFAOYSA-N 265.319 3.780 30 20 CHED CCc1nc(S[C@@H](C)c2ccc(C#N)cc2)nc(O)c1C 576957203 JDSSTULZPUEVNM-NSHDSACASA-N 299.399 3.778 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(Cl)nc1Cl 815312170 MZYWHJWCJBTQCW-UHFFFAOYSA-N 296.100 3.643 30 20 CHED CC(Cc1ccc(Br)cc1)=NOCC(F)F 814904234 ZLHPJHCMSGMLHS-UHFFFAOYSA-N 292.123 3.649 30 20 CHED Cn1cc(C=NOCCC2CC2)c(C2CCCCC2)n1 814246347 IZFOZANOJBRPHN-UHFFFAOYSA-N 275.396 3.618 30 20 CHED C=C(C)CCNCc1nc(C(C)C)n2ccccc12 651821585 RRXVEUXDWWCSBN-UHFFFAOYSA-N 257.381 3.514 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCC[C@H](C)C2)cc1 570968743 KUESMXGXQLZSHK-XKQJLSEDSA-N 284.403 3.756 30 20 CHED N#CC1(CNC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 573048979 PVRBFIDHLOFFLO-MRXNPFEDSA-N 297.402 3.521 30 20 CHED C#Cc1ccccc1CC(=O)N(c1ccccc1C)C(C)C 812978439 PXBPAUVGVGILEO-UHFFFAOYSA-N 291.394 3.960 30 20 CHED C=CCCCCCCCNc1nccc(C#N)c1[N+](=O)[O-] 811848249 WFDPBMVMDANXOB-UHFFFAOYSA-N 288.351 3.800 30 20 CHED C=CCC[C@H](C(=O)N1C[C@@H](C)[C@@H](C)C1)c1ccccc1 489070146 HCQONLWOPDATPQ-UXLLHSPISA-N 271.404 3.851 30 20 CHED C#CCCCOC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 727040995 QFKIBCBQBULKPA-CQSZACIVSA-N 274.360 3.534 30 20 CHED COc1ccc(C=NNc2cccc3cnccc23)cc1C 728432558 WMONKWZZRJQWKE-UHFFFAOYSA-N 291.354 3.998 30 20 CHED C1CCN([C@@H]2CCCCC2=NOCCC2CC2)CC1 814247225 WZILNXLFTJFCPV-MRXNPFEDSA-N 264.413 3.588 30 20 CHED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc[nH]1 726425904 LQZKOXHRDIFWJZ-UHFFFAOYSA-N 292.264 3.741 30 20 CHED N#Cc1cccc(C2(NC[C@H]3C[C@H]3c3ccccc3)CC2)c1 578891579 RXVNRPGDVFDCJZ-MJGOQNOKSA-N 288.394 3.941 30 20 CHED Cc1nc(N2CCCC[C@H]2Cc2ccccc2)ccc1C#N 488111817 GQIYBGLORBCFLP-SFHVURJKSA-N 291.398 3.863 30 20 CHED CCC(=NNc1ncccn1)C12CC3CC(CC(C3)C1)C2 811637981 CRKXVNQBJQSJID-UHFFFAOYSA-N 284.407 3.871 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C1CC[C@H]1C1CC1 814810003 UQYZSNWUERTYBF-JTQLQIEISA-N 279.727 3.836 30 20 CHED C=C[C@@H]1CCCCN1c1ncnc2sc3c(c12)CCC3 486495128 CUJJWAAXCYBYMG-LLVKDONJSA-N 285.416 3.725 30 20 CHED Cc1ccc2ncc(C#N)c(N3CC[C@H](C)[C@H]3C)c2c1 488113319 JCGWBYFMBKJKPM-QWHCGFSZSA-N 265.360 3.650 30 20 CHED CCC(=NNc1cccc(OC)c1)c1cccs1 725853659 XZARZRAJEQTSJP-UHFFFAOYSA-N 260.362 3.983 30 20 CHED C[C@H](C#N)Oc1ccc(C=NNc2ccccc2F)cc1 727683214 FUHCIFJWLYBJFT-GFCCVEGCSA-N 283.306 3.563 30 20 CHED COc1ccc(O)c(C=Nc2cccc3c2ccn3C)c1 726892534 VIOHEYVPCLVQSE-UHFFFAOYSA-N 280.327 3.643 30 20 CHED N#Cc1ccc(/C=C2\Oc3c(Cl)cccc3C2=O)cc1 729149208 DJYMWQYYIDVLIL-ZSOIEALJSA-N 281.698 3.828 30 20 CHED N#CC1(C(=O)Oc2cccc(C3CC3)c2)CCCCC1 822166082 FKJUKBQEHXZXRM-UHFFFAOYSA-N 269.344 3.943 30 20 CHED N#Cc1c(N[C@H]2CCC[C@H](F)C2)nc2cc(Cl)ccn12 574914080 XXNYIXPMIRZMHS-QWRGUYRKSA-N 292.745 3.552 30 20 CHED Cc1ccccc1[C@@H](NC(=O)NCC1(C#N)CC1)C(C)(C)C 575240554 SOISGWXDSUTDNE-OAHLLOKOSA-N 299.418 3.685 30 20 CHED N#CCc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c(Cl)c1 570595006 FZMSFWHJBYUCNZ-FRRDWIJNSA-N 288.778 3.781 30 20 CHED CC(C)C[C@H](C)CN1CCO[C@H](c2cccc(C#N)c2)C1 499586308 BKDWXLVICMOCCD-YJBOKZPZSA-N 286.419 3.614 30 20 CHED C=CCC1(C(=O)NCCSC(C)(C)C)CCCC1 825652338 GOWQACSHGRHJCO-UHFFFAOYSA-N 269.454 3.771 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccccc1CC(F)(F)F 491220367 MVKYTDWDQXLQAI-GFCCVEGCSA-N 298.308 3.715 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1cn(C)c2ccccc12 490016777 ZJZYPYHQIYNWSV-UHFFFAOYSA-N 298.430 3.829 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@H](C(C)C)CC1 580261158 VYFMIWFZWKIWLY-AWEZNQCLSA-N 288.439 3.604 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(SC)ccc1O 669048726 AGBUISZCDIOSDX-UHFFFAOYSA-N 293.432 3.933 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccccc1-n1cccn1 665576154 IAORAYGLLLSRRU-UHFFFAOYSA-N 298.390 3.739 30 20 CHED C=CCn1cccc1C(=O)Nc1c(C)cc(C)cc1C 490070987 HIDCPKLZFLGYSI-UHFFFAOYSA-N 268.360 3.852 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@H](C)c2ccccc2C)n1 906021056 CYSXSAHQNSKGIX-CQSZACIVSA-N 293.370 3.621 30 20 CHED CC[C@H](NCC[C@@H]1CCO[C@@H](C)C1)c1cccc(C#N)c1 902950092 FURJNDYNHSSQHX-DAYGRLMNSA-N 286.419 3.804 30 20 CHED CCCCC(=NNc1ccnc(N(C)C)n1)c1ccccc1 739414207 UWKHVIVHZUGMQL-UHFFFAOYSA-N 297.406 3.549 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccc(C)cc2F)no1 904682111 ITVGXESGCNFIFF-ZDUSSCGKSA-N 275.327 3.540 30 20 CHED CCC/C=C\C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 735214260 OZCVNHUBDVCVOG-WYGGZMRJSA-N 288.347 3.968 30 20 CHED CCN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 732921866 IDINDQNPPJYFEJ-QGZVFWFLSA-N 293.370 3.826 30 20 CHED C=CCC[C@H](NC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1 660939372 SSDQADAIAXLBDX-ZACQAIPSSA-N 284.403 3.745 30 20 CHED CC(C)(C)C=NNc1cc(Cl)ccc1[N+](=O)[O-] 835008587 HIYMGWXKDFRNGL-UHFFFAOYSA-N 255.705 3.692 30 20 CHED C=CCC1(C(=O)OCc2ncc(CC)s2)CCCC1 835295797 YMONUBMGQIKQJL-UHFFFAOYSA-N 279.405 3.885 30 20 CHED C=CCC[C@@H](NC[C@@H](CO)C1CCCCC1)C1CC1 580578815 JLJKEEBCWOSOMI-DLBZAZTESA-N 265.441 3.510 30 20 CHED C=CCCCCCCNC(=O)c1cc(C)n(C(C)C)n1 831993671 VHYKXGMYYKPNGG-UHFFFAOYSA-N 277.412 3.639 30 20 CHED C=C(Br)CN1CCc2cc(F)ccc2[C@@H]1C 738880780 CVEPGUGVWHDCHJ-JTQLQIEISA-N 284.172 3.653 30 20 CHED C=COc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 837765849 YHCRTNMVRIKUFJ-KRWDZBQOSA-N 282.343 3.621 30 20 CHED C#CCC(C)(C)C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 833612211 OMNLTKFMOQUPEQ-IRXDYDNUSA-N 283.415 3.736 30 20 CHED C=CCN(C(=O)NCC(C)(C)c1ccccc1)C(C)C 918069421 VOSXVELRVUQRPX-UHFFFAOYSA-N 274.408 3.570 30 20 CHED C=C(CN[C@H](COC)Cc1ccccc1)c1ccccc1 675783140 BSIIUMDVBMFJEW-IBGZPJMESA-N 281.399 3.547 30 20 CHED Cc1ccccc1CCCN1CCC[C@@H](CC#N)C1 595615916 UPRRHOLGJNWCBU-INIZCTEOSA-N 256.393 3.553 30 20 CHED Cc1oc(C(C)C)cc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839061971 JJPUHPZIJDMOGC-STQMWFEESA-N 275.348 3.951 30 20 CHED Clc1ccc(C#CCN2CC[C@@H](c3ccco3)C2)cc1 674250631 CVJQSAXVJIJBFR-OAHLLOKOSA-N 285.774 3.774 30 20 CHED CC(=NN=C(CC(C)C)CC(C)C)c1cnccn1 745204173 VZGYHNLHWPTXJD-UHFFFAOYSA-N 260.385 3.734 30 20 CHED C#CCN(Cc1ccncc1Cl)[C@@H]1CCc2ccccc21 746503388 RERDITMAYXEEDA-GOSISDBHSA-N 296.801 3.858 30 20 CHED CC[C@](C)(OC)c1noc([C@H](C)Cc2ccc(C#N)cc2)n1 594531442 RUAVPIWUVJENAH-PXAZEXFGSA-N 299.374 3.559 30 20 CHED CC1CCC(N(C)C(=O)CC2(C#N)CCCCC2)CC1 596674870 XSMADMNTMKSPPK-UHFFFAOYSA-N 276.424 3.888 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc(Oc2ccccc2)o1 749040431 YGRKYSKBDHASQU-LLVKDONJSA-N 271.272 3.531 30 20 CHED C(=NN(Cc1ccccc1)c1ccccc1)c1csnn1 915933805 JROXFXNNBSLZDJ-UHFFFAOYSA-N 294.383 3.579 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CC[C@@H]2CCC[C@H]2C1 741845927 ZMIVMBLZINHKSU-KEEHHDMYSA-N 273.376 3.789 30 20 CHED CCC#C[C@H](C)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 678745370 QEPAJDLKHALTFS-GJZGRUSLSA-N 289.419 3.935 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1ccc(CC(=O)O)cc1 848415022 VKWRKANMWNJZEA-BBRMVZONSA-N 286.375 3.704 30 20 CHED CCC(=NNC(=S)Nc1ccccc1F)C(C)C 915921463 WSFFHNBYLXWZQJ-UHFFFAOYSA-N 267.373 3.534 30 20 CHED CCc1ccc(C=NNc2cc(Cl)nc(C)n2)s1 741765608 GURFFDMFXAVPHE-UHFFFAOYSA-N 280.784 3.508 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccc(C)c(C)c1 840797948 ZEHSOCACUXURFT-UHFFFAOYSA-N 262.422 3.802 30 20 CHED CC(=NNc1ccc(Cl)nn1)[C@@H]1C[C@H]1c1cccs1 841605769 UOOWBCJXGJEUCS-VHSXEESVSA-N 292.795 3.783 30 20 CHED CCC(=NNc1ccc(Cl)c(C(=O)O)c1)C(C)C 916259368 HZWVGFCPSGJHFJ-UHFFFAOYSA-N 268.744 3.872 30 20 CHED CC(C)Cn1nccc1CN[C@H](CCC#N)c1ccccc1 592365926 JXVKXJNXYDOALH-GOSISDBHSA-N 296.418 3.674 30 20 CHED CCC(=NNc1ccc(Br)cc1)[C@@H]1CCOC1 741848591 WXJOJINDYBRHJV-SNVBAGLBSA-N 297.196 3.664 30 20 CHED N#CCCCCCc1nc(-c2ccc(F)cc2F)no1 590277310 DQMJKRLTWUIHOJ-UHFFFAOYSA-N 277.274 3.641 30 20 CHED CCC1(CC)CCCN(C(=O)Cc2ccc(C#N)cc2)C1 598216266 SBDINCMXMFMGJJ-UHFFFAOYSA-N 284.403 3.530 30 20 CHED O=C1CCc2cc(C(=O)/C=C/c3ccc(F)cc3)ccc2N1 915993098 JDSITLINDLREJX-YCRREMRBSA-N 295.313 3.607 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 593445287 FXKXCDUVNPYJER-NSHDSACASA-N 285.372 3.607 30 20 CHED C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1C 685514524 DTBQLCBSWSBOGK-UHFFFAOYSA-N 290.798 3.538 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cccc(C2CCC2)c1 844667660 STYBJMGMVMKVRN-LLVKDONJSA-N 260.337 3.582 30 20 CHED COCCON=Cc1ccc(-c2ccccc2F)s1 748792333 ZCSCXYHRVOGAKH-UHFFFAOYSA-N 279.336 3.551 30 20 CHED CN(CC[C@H]1CCc2ccccc21)CC(C)(C)C#N 595502896 XELRBGFTSVCPJE-OAHLLOKOSA-N 256.393 3.588 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])o1 917872251 HGOUUWDHCGRAPO-LBPRGKRZSA-N 296.367 3.914 30 20 CHED CC(=NNC(=S)Nc1ccccc1)c1cccc(F)c1 915923960 YPKIDHVSMOJYSF-UHFFFAOYSA-N 287.363 3.536 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(OCC3CC3)cc2)s1 749363966 UAYKLKAUHWEFEC-UHFFFAOYSA-N 299.351 3.628 30 20 CHED c1cncc(CON=C2CC[C@H]3CCCC[C@@H]3C2)c1 746588827 TZAHVBQQUWCACU-HUUCEWRRSA-N 258.365 3.945 30 20 CHED N#CC[C@@H]1CCCN(c2nccc3ccc(F)cc23)C1 596331482 YNGYBSXWHMRUMS-LBPRGKRZSA-N 269.323 3.504 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](C)Cc1ccc(C#N)cc1 594002339 NJDWYFGLPOFRBY-CKEIUWERSA-N 284.403 3.526 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1c1ccc(F)cc1C 840826561 ODADAVOCTHJFHA-OAHLLOKOSA-N 292.423 3.722 30 20 CHED CCOc1ccc(/C=N\C[C@@H]2CCCC2(F)F)c(O)c1 840708629 HTJSCELGNVDFEX-PGQWVYTBSA-N 283.318 3.645 30 20 CHED C[C@H]1C[C@@H](NCC(C)(C)CC#N)c2c(O)ccc(F)c21 840787118 IFRRZLOGVFRCRB-CMPLNLGQSA-N 276.355 3.609 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(C3CC3)c2)C1 847082651 VWYUOELNWGTHCA-WBMJQRKESA-N 269.344 3.803 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 683788269 KTSMBWJEHVFECO-KFWWJZLASA-N 261.409 3.792 30 20 CHED CC(C)CCn1ccc(N[C@@H](C)CC(C)(C)C#N)n1 925924656 XQFLXJLLANWLOK-ZDUSSCGKSA-N 262.401 3.669 30 20 CHED Clc1cnc(NN=C(CC2CC2)c2ccccc2)nc1 857223092 INEXVTWSPFAGAX-UHFFFAOYSA-N 286.766 3.746 30 20 CHED C=CCOc1cc(OC)ccc1-c1nc(C2CCC2)no1 685242743 ZAEIHPCAENXXQC-UHFFFAOYSA-N 286.331 3.578 30 20 CHED CCCCOc1ncccc1CN[C@H](C)CC(C)(C)C#N 924792443 XOFSASWTYPWTHH-CQSZACIVSA-N 289.423 3.678 30 20 CHED C=C(C)CNC(=S)N1CC(C)(C)[C@H]1c1ccccc1 920074533 FBRKCMONJKOVMQ-CQSZACIVSA-N 274.433 3.520 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)C[C@H]1CCOC1 759966335 TZCGFUUIKNISFD-LSDHHAIUSA-N 269.429 3.668 30 20 CHED N#CCCCCOC(=O)c1ccc2ccc(Cl)cc2n1 752185153 PBLFBWFQQPJWOO-UHFFFAOYSA-N 288.734 3.739 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1 757468737 WENMWPZYHMCGQB-UITAMQMPSA-N 298.338 3.783 30 20 CHED CC(=O)c1ccc(C(=O)OCCCC(C)(C)C#N)cc1C 923382172 ASDOHHWTZBJWBM-UHFFFAOYSA-N 287.359 3.684 30 20 CHED C#Cc1cccnc1NCc1ccccc1COCCC 853188719 DNYPPSJXUORUCB-UHFFFAOYSA-N 280.371 3.602 30 20 CHED CCC(CC)(CNc1nc(C#N)ccc1C)SC 853390540 BOEXAYYABUXBBI-UHFFFAOYSA-N 263.410 3.595 30 20 CHED FC(F)CON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853333589 NPXWTXQQJLNWQZ-JGVFFNPUSA-N 259.218 3.623 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N(C)Cc1cccc(C#N)c1 929946329 JERIUENVZJHNSJ-OAHLLOKOSA-N 292.382 3.629 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C2/CC[C@H](C)C2)s1 753640056 KFNQRQLWMJWENQ-QBQSQJOESA-N 274.389 3.867 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CCc2ccc(Cl)cc21 858514039 NRPKIQSTIGKTLP-CQSZACIVSA-N 278.783 3.593 30 20 CHED Cc1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)sc1C 851212737 AUMOEAMPMBECDQ-JTQLQIEISA-N 265.378 3.850 30 20 CHED COc1cc(F)cc(NN=C(C)c2cccs2)c1 759212713 JVHNGHOKGBIXBK-UHFFFAOYSA-N 264.325 3.732 30 20 CHED C=CCCCC(=O)NCc1cc2cc(C)ccc2o1 855768761 SXZHHAVJAFSOQN-UHFFFAOYSA-N 257.333 3.714 30 20 CHED C[C@H](CCC#N)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 932191760 OLHLSKVGBSHRAK-CHWSQXEVSA-N 289.448 3.503 30 20 CHED COC(=O)c1cc(/C=C\C(=O)c2cc(C)c(C)cc2C)c[nH]1 753136329 VFBUWAKKPOANII-WAYWQWQTSA-N 297.354 3.623 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1SC(F)(F)F 757201142 PJLVBTPPVFKROZ-QMMMGPOBSA-N 290.310 3.995 30 20 CHED Fc1cccc(-c2ccc(C=NNc3ncccn3)s2)c1 750937111 GEECYWKHBDTRMK-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1cccc(Cl)c1 756842369 ORRNCYFFYPEFPN-UHFFFAOYSA-N 280.158 3.646 30 20 CHED C=CC[C@@H](NCc1ccc(CC)o1)c1ccncc1 760678217 VGTYFCZODILHFQ-MRXNPFEDSA-N 256.349 3.644 30 20 CHED C/C(=C/C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 766580965 FGALWIBQOBGDNL-XSLBHYSZSA-N 288.366 3.674 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(-c2ccccc2)cc1 48087031 QQNUTLGNGCTOKK-UHFFFAOYSA-N 264.328 3.842 30 20 CHED C#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)C1CC1 767521632 OOCXYKGITPZOQS-QRVBRYPASA-N 290.362 3.898 30 20 CHED C#CCN(C(=O)c1ccc(C2CCCCC2)cc1)C1CC1 763795397 ARKZPYQPRRHFIN-UHFFFAOYSA-N 281.399 3.972 30 20 CHED N#CCCCOC(=O)/C=C/c1ccccc1C(F)(F)F 869739286 GBNNQDYKAPNJQS-BQYQJAHWSA-N 283.249 3.566 30 20 CHED C=CCNc1ccc(OCC(F)F)c(C(F)(F)F)c1 766776655 ZKQXJPPLLCDFPV-UHFFFAOYSA-N 281.224 3.947 30 20 CHED C#CCCCNc1cc(NC(=O)CCC)ccc1Cl 766723713 CRRKDACOXDKKIV-UHFFFAOYSA-N 278.783 3.904 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)c1ccccc1O 767977524 LOPFTFUWIDTXJE-UHFFFAOYSA-N 295.338 3.550 30 20 CHED N#Cc1ccc2[nH]cc(C=NNc3ccc(F)cc3)c2c1 760224495 CBZLKMDPFQJTBN-UHFFFAOYSA-N 278.290 3.625 30 20 CHED C[C@H](CCC#N)CNC1CCN(CC2CCCCC2)CC1 876993912 VYAJYEQLAWTSED-MRXNPFEDSA-N 291.483 3.561 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1csc(-c2ccco2)n1 1116822297 UJVQNPOYQBWYEO-NSHDSACASA-N 288.372 3.584 30 20 CHED C#CC[C@@H](NCc1cccc(Cl)n1)c1ccccc1 775400946 UPMOAXQXGZHBLF-OAHLLOKOSA-N 270.763 3.589 30 20 CHED C#CCCCCCC(=O)N1CCc2ccc(Cl)cc21 779881870 OFRXWHHICFZEFL-UHFFFAOYSA-N 275.779 3.813 30 20 CHED CCCC[C@H](CC)CNC(=O)Cc1ccccc1CC#N 776725573 NJVKDTKPDONWNU-HNNXBMFYSA-N 286.419 3.628 30 20 CHED C#C[C@@H](C)N(C)Cc1c(OC(F)F)ccc2ccccc12 775185203 ZAOLRDUTKGCIDZ-GFCCVEGCSA-N 289.325 3.895 30 20 CHED C#CCCCCCC(=O)Nc1c(Cl)cccc1OC 876445242 ZUABRYMLCAPYSD-UHFFFAOYSA-N 279.767 3.871 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccc(F)nc1 777467454 KGYVDZJMMSJSHZ-SOFGYWHQSA-N 280.302 3.907 30 20 CHED C#CCCCCC(=O)Nc1n[nH]c(C)c1-c1ccccc1 774285975 CLUDGCMQFAWKFR-UHFFFAOYSA-N 281.359 3.517 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C 770689247 PMVBVKUFGWZUPO-SOUVJXGZSA-N 269.429 3.524 30 20 CHED Cc1cc2occ(C(=O)O[C@H](C)CC#N)c2cc1C 770874763 XGRUTNFOXBBNHT-LLVKDONJSA-N 257.289 3.509 30 20 CHED Cc1[nH]nc(NC(=O)C#CC(C)(C)C)c1-c1ccccc1F 871118138 VTCYVXBDMPYTJH-UHFFFAOYSA-N 299.349 3.512 30 20 CHED C[C@H](/N=C\c1cccc(O)c1O)c1ccccc1Cl 774542348 OTRKSFWZYBZDFE-HLGUWXJESA-N 275.735 3.931 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(OCOC)cc1 879913915 ICAZHPPSPRDLOF-UHFFFAOYSA-N 292.379 3.536 30 20 CHED Cc1cc(C)cc(COC(=O)Cc2ccccc2CC#N)c1 777159332 WEZCGDDWSWNJNF-UHFFFAOYSA-N 293.366 3.655 30 20 CHED C#CC[C@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 775789527 RMJZRYMWNUISSA-HNNXBMFYSA-N 299.757 3.540 30 20 CHED CC(=NNC[C@H](C)C#N)c1ccc(SCC(F)F)cc1 771105055 XVOCGHHGDRCBGQ-SNVBAGLBSA-N 297.374 3.517 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC=CO1 777839560 OFELIXINZYNPHJ-LBPRGKRZSA-N 297.807 3.609 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C)c(Cl)c1F 1121161409 SGRMISYCJYWDNA-JTQLQIEISA-N 282.746 3.552 30 20 CHED C=CCCCC(=O)OCc1cccc(F)c1Cl 771984389 OJRPIZUAXPFPHX-UHFFFAOYSA-N 256.704 3.879 30 20 CHED CC(C)(C)OCc1cccc(NC(=O)C2(C#N)CCC2)c1 885622408 XAJCACPULHVORV-UHFFFAOYSA-N 286.375 3.634 30 20 CHED C=CCCCC(=O)O[C@H](C)c1nc(C2CC2)cs1 781179066 GNRZNJIJLTXQAQ-SNVBAGLBSA-N 265.378 3.981 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)c(OC)c(F)c1OC 880218048 FSRXLMMHBHYDSA-UHFFFAOYSA-N 299.317 3.523 30 20 CHED CCOc1cc(C=NN[C@H]2CCCC2(C)C)ccc1OC 782303605 XOEXMBKNOXDQOR-INIZCTEOSA-N 290.407 3.596 30 20 CHED CC1(C)CCC(C=NN[C@@H](CO)c2ccccc2)CC1 788457237 IGHAYLJFNOOSRJ-INIZCTEOSA-N 274.408 3.512 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(F)cc(Cl)c1N 784924716 XUEHKHCBLUZDGZ-UHFFFAOYSA-N 298.745 3.548 30 20 CHED C=Cc1ccc(C(=O)OCc2cc(C#N)ccc2F)cc1 785621900 HERRVLLEGCNJET-UHFFFAOYSA-N 281.286 3.697 30 20 CHED Cc1ccc(OC(F)F)c(/C=C\C(=O)c2cncs2)c1 787172358 KLECRPPNZFQXTM-ARJAWSKDSA-N 295.310 3.949 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2scnc2C2CC2)c1 782326060 BDRLINQDGHNNGY-VOTSOKGWSA-N 280.352 3.788 30 20 CHED CC(=NNc1c(F)cccc1Cl)[C@@]1(C)CCCO1 782272554 RYRXIUHOTFHEMO-CYBMUJFWSA-N 270.735 3.836 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1ccnc(Cl)c1 782195211 ULYDULQYDALUHD-WAYWQWQTSA-N 268.703 3.503 30 20 CHED COC[C@H](C)NN=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1 788438726 MMUPZGAZHOCUPM-INTQDDNPSA-N 286.828 3.505 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1cc(F)c(C#N)c(F)c1 1136165285 UCPSXGOPRRBYKP-LLVKDONJSA-N 294.345 3.783 30 20 CHED CCc1onc(C)c1/C=C1\Cc2c(F)ccc(F)c2C1=O 899363981 JCRJEUJUFKDUBQ-RMKNXTFCSA-N 289.281 3.646 30 20 CHED Cc1ccc(CCC(=O)Nc2cc(F)cc(C#N)c2)c(C)c1 1132219224 ANENMBHIEAJKBA-UHFFFAOYSA-N 296.345 3.886 30 20 CHED CCCCCC(=O)OCc1ccc(C#N)cc1Cl 784186510 LAXYGBKIKJERDW-UHFFFAOYSA-N 265.740 3.835 30 20 CHED C#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)C(C)C 799046643 NFQPEVHYMVXRCG-QYZOEREBSA-N 291.394 3.717 30 20 CHED CC[C@@H](C)NN=C(C)c1ccccc1Br 790188684 HHANHIKJZDEDSN-SECBINFHSA-N 269.186 3.561 30 20 CHED COc1cc(F)cc(NN=C2CCC[C@@H]2CCF)c1 794918203 DFHGANJURWKVIH-SNVBAGLBSA-N 268.307 3.762 30 20 CHED COc1ccc2oc(C=NN[C@H](C)C(C)(C)C)cc2c1 793116520 YSSSURDMVXRIQT-LLVKDONJSA-N 274.364 3.800 30 20 CHED CC(=NNc1ncccc1F)c1ccc(F)c(Cl)c1 794983825 FPVWLGGOCHPKPY-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1cnoc1C 799478178 VAIHAUOZGXEKOF-UHFFFAOYSA-N 269.348 3.698 30 20 CHED Cc1nc(-c2ccc(C(=O)O[C@@H](C)CC#N)cc2)cs1 799610393 ASQVGCDNCFLPLJ-JTQLQIEISA-N 286.356 3.578 30 20 CHED C#CCOC(=O)c1ccc(-c2cccc3cccnc23)cc1 796818485 NKBQLXXJSOOHFO-UHFFFAOYSA-N 287.318 3.692 30 20 CHED C#CCCOC(=O)c1ccc2nc(-c3ccccc3)oc2c1 796046757 QTANSYVZFCMBQB-UHFFFAOYSA-N 291.306 3.675 30 20 CHED CSc1ccsc1C(=O)Nc1cc(F)cc(C#N)c1 1132445513 IEUMLRFTGGTFDG-UHFFFAOYSA-N 292.360 3.733 30 20 CHED CC[C@@H](C)NN=Cc1csc(-c2ccsc2)n1 790188653 GQLNOLPZZBWFFX-SECBINFHSA-N 265.407 3.594 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1)c1ccnc(F)c1 794718729 DZOJSDKSTHUTMB-RQOWECAXSA-N 279.673 3.909 30 20 CHED C=CCCCOC(=O)c1cc(F)cc(Br)c1 735529888 PXSLJAGEXQEADF-UHFFFAOYSA-N 287.128 3.711 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1ccc(Cl)s1 790306566 KUDFOTRJIJTRFT-UHFFFAOYSA-N 299.714 3.895 30 20 CHED N#CCCN(Cc1ccco1)Cc1cc(F)ccc1Cl 189067117 LCMWYUMALATTMI-UHFFFAOYSA-N 292.741 3.988 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cccc(OC)c1F 799893408 YAYLUXLQVLNLEL-FPLPWBNLSA-N 285.318 3.688 30 20 CHED CCc1nc(C)c(C/N=C\c2cc(Cl)ccc2O)o1 793669990 WJRVLPLBZCEEAP-APSNUPSMSA-N 278.739 3.524 30 20 CHED CCCCCCCN1CCOc2cc(O)ccc2C1 796465161 GQUHQOCVHHNMID-UHFFFAOYSA-N 263.381 3.557 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2CC=CCC2)s1 797570376 GKIOKBGBPSGPAN-NWDGAFQWSA-N 288.416 3.973 30 20 CHED COc1ccccc1CON=C(C)c1ccccc1C 799118686 QCUIAGBYEUKXKU-UHFFFAOYSA-N 269.344 3.944 30 20 CHED CSCCON=C(C)c1cc(C)c(C)cc1C 794576104 CFMZEQIQILABAK-UHFFFAOYSA-N 251.395 3.715 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)C[C@@H](CC#N)c1ccccc1 796829683 MZLYTFRKMNVHTH-CABCVRRESA-N 284.359 3.555 30 20 CHED Fc1ccc2oc(C=NNc3ncccc3F)cc2c1 794990627 PYFLVDSKVJKMIK-UHFFFAOYSA-N 273.242 3.552 30 20 CHED C[C@@H](CC(=O)N(CC#N)C1CCCC1)CC(C)(C)C 80212528 BBSVKVPAACKIQN-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(OCC#N)cc1 85085973 RIZJNAFQHSUCHP-DVOMOZLQSA-N 258.365 3.826 30 20 CHED CC(C)(C#N)CCOc1ccccc1Br 87592234 BUOQAVLXZJPGLE-UHFFFAOYSA-N 268.154 3.768 30 20 CHED C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C 90824972 BEFDHRYZAQLGLL-NXEZZACHSA-N 268.282 3.669 30 20 CHED C[C@H]1CCC[C@@H](CN2CCN(c3ccccc3C#N)CC2)C1 1307446318 PNZVMKUFCROPBR-DLBZAZTESA-N 297.446 3.507 30 20 CHED CCc1nnc(NCc2cc(C)cc(C)c2)c(C#N)c1CC 1163751220 PNTIUHHWERVMEZ-UHFFFAOYSA-N 294.402 3.702 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H]1CCSc2ccccc21 1319856695 XJNQEIWVKFUATA-TZMCWYRMSA-N 292.400 3.748 30 20 CHED C=CCCC(=O)NC[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1318322618 VSHRSSKROCPKGR-SOUVJXGZSA-N 251.414 3.777 30 20 CHED C=CCC1(C(=O)N[C@H]2CC[C@H](SC)C2)CCCC1 1324702512 LGVKIHBTMOPCMQ-STQMWFEESA-N 267.438 3.523 30 20 CHED N#CC[C@H](CC(=O)OCC=C(Cl)Cl)c1ccccc1 1327978415 NOTLGRNGYZNFCT-GFCCVEGCSA-N 298.169 3.936 30 20 CHED N#CCCCc1nnc(CC23CC4CC(CC(C4)C2)C3)o1 1327326149 OAFMBPAKQDTHNM-UHFFFAOYSA-N 285.391 3.675 30 20 CHED C[C@H]1CC[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)C1 1326933317 XANDHUJAWHDFRL-GXFFZTMASA-N 253.305 3.512 30 20 CHED CC(C)(C)OC(=O)CCCCCB1OC(C)(C)C(C)(C)O1 1857781918 FYTIINHUPNBZMJ-UHFFFAOYSA-N 298.232 3.981 30 20 CHED N#Cc1c(F)cccc1CNCC1CCCCCC1 1181807137 AVFBIDLGYLEWII-UHFFFAOYSA-N 260.356 3.757 30 20 CHED C=CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1335331422 OVLURFORBJTQOM-UHFFFAOYSA-N 282.274 3.614 30 20 CHED C[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)C1CCCCC1 1186389779 XCEWTYKOHPBECG-NSHDSACASA-N 289.354 3.788 30 20 CHED CCOc1ccc(/C=C/c2cc(C#N)ccn2)cc1 1256279393 OMGCMDLQHSIGRK-ZZXKWVIFSA-N 250.301 3.522 30 20 CHED CC(C)n1ncnc1CSCCCCC1(C#N)CCC1 1336067936 ONEOKXUBUFJBKV-UHFFFAOYSA-N 292.452 3.956 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2coc3ccc(Cl)cc23)C1 1344687812 UYXYEZNPSWRYJW-KOLCDFICSA-N 289.718 3.935 30 20 CHED Cc1cccc([C@H](C)C(=O)[C@H](C#N)c2cccc(F)n2)c1 1347124760 RQAOAJXUZJBOBA-GXTWGEPZSA-N 282.318 3.509 30 20 CHED C=C1CCC(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)CC1 1348270420 LYOSHGLZZPMUKC-AWEZNQCLSA-N 291.354 3.552 30 20 CHED N#CCc1cccc(N2CCC[C@@H]2/C=C\c2ccccc2)n1 1262366874 ZIBVNGSYVKTCHW-YUIUBULTSA-N 289.382 3.830 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 1357421973 LYEHCPLCQKRRIR-XAYKYTGQSA-N 298.386 3.722 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 1356481959 VUPUUTQFXJXLJI-TZMCWYRMSA-N 287.407 3.880 30 20 CHED CN(CC[C@H]1CC1(Cl)Cl)Cc1cccc(C#N)c1 822570018 DSKGDYZYVXDANF-ZDUSSCGKSA-N 283.202 3.574 30 20 CHED CN(Cc1cccc(C#N)c1F)C1CCCCCC1 219509266 MATIMSAHTBPIKX-UHFFFAOYSA-N 260.356 3.852 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(F)c(OC)cc1F 1519795744 QOJGBMYZDVPSES-UHFFFAOYSA-N 269.291 3.514 30 20 CHED C#CCSCCN[C@H](C)c1ccccc1C(F)(F)F 222109988 HLOARFVZLMENQW-LLVKDONJSA-N 287.350 3.722 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1cc(C#N)ccc1C 1536121315 QILSTGAZPSCUBT-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED CS[C@H]1CCC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 227358800 KPUZOFGDIOMXQI-RYUDHWBXSA-N 291.376 3.553 30 20 CHED COc1ccc2cc(CN(C)C(C)(C)C#N)ccc2c1 258683540 CKMHSISPKJLKLC-UHFFFAOYSA-N 268.360 3.582 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1Oc1cccnc1 1559054483 STZMWXRBAAROOK-UHFFFAOYSA-N 281.702 3.947 30 20 CHED C[C@@H](CN(C)c1ccc(C#N)cn1)C1CCCCC1 1651317662 DAUXQIUZXBMGAT-ZDUSSCGKSA-N 257.381 3.606 30 20 CHED CC(C)CN(CCOc1ccccc1C#N)CC(C)(C)C 1657804026 CUPKAVOKJDKKIP-UHFFFAOYSA-N 288.435 3.941 30 20 CHED CC(C)[C@@H](CNCc1cccc(C#N)n1)Cc1ccccc1 1652238458 JTCJZWCAMRTHOC-QGZVFWFLSA-N 293.414 3.558 30 20 CHED CSc1c(F)cccc1NC(=O)c1ccc(C#N)s1 1587163591 OOEJJGWFWKRRLE-UHFFFAOYSA-N 292.360 3.733 30 20 CHED CC(C)[C@H](Cc1ccccc1)N[C@H]1CCC[C@H](C#N)C1 1660704381 GSNKZUWOSOVWQM-BZSNNMDCSA-N 270.420 3.926 30 20 CHED CC(C)C1CCN(Cc2ccc(C#N)cc2F)CC1 231699083 KBTFBNVQYOTQSB-UHFFFAOYSA-N 260.356 3.565 30 20 CHED C[C@H]1Cc2ccccc2C(=O)/C1=C/c1ccc(C(=O)O)s1 1776665817 DJXZQBGIBBWCAZ-RSYJBZMQSA-N 298.363 3.905 30 20 CHED O=C(O)c1ccc(NN=CC2C3CC4CC(C3)CC2C4)cc1 1776012657 XUUUUVWGHBSKOY-UHFFFAOYSA-N 298.386 3.855 30 20 CHED O=C(O)c1cc(Cl)sc1C=NOCc1ccccc1 1776029415 OTOOICOIMOYBRJ-UHFFFAOYSA-N 295.747 3.650 30 20 CHED C=C(C)C[C@H](NCc1ccc2ccccc2c1C)C(=O)O 1776137915 XHUYWRVYLNQPAL-KRWDZBQOSA-N 283.371 3.657 30 20 CHED CCC[C@@H]1CCCCC1=NNc1ccc(C(=O)O)nc1 1776071124 FUZRLVQJIROBTJ-LLVKDONJSA-N 275.352 3.538 30 20 CHED C=CC[C@]1(C(=O)O)CCN(Cc2ccc(Cl)c(C)c2)C1 1776161673 YSVUOCKUANPWBP-INIZCTEOSA-N 293.794 3.501 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)OCc2ccc(C#N)cc2)C1(C)C 5159146 MQRCYPSLRFLLOE-HOTGVXAUSA-N 283.371 3.840 30 20 CHED C=C(Cl)C[S@](=O)[C@H](CC)c1ccc(F)cc1 150812780 XKOGTBJFQVBZBN-MLGOLLRUSA-N 260.761 3.778 30 20 CHED CC[C@H](C)CN(C)C(=O)N[C@H](CCC#N)c1ccccc1 151462536 XYVXTMFXQMASBJ-GOEBONIOSA-N 287.407 3.719 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 152043404 MVMAAQMDTINXPS-GARJFASQSA-N 281.758 3.663 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(OCCCC)c(OCC)c1 153878360 VCVBZCRAKQTYEB-CYBMUJFWSA-N 291.391 3.569 30 20 CHED CC#CCN[C@@H](c1ccccc1OC(F)F)C(F)(F)F 156209711 KLXKDKYYEBPYAE-NSHDSACASA-N 293.235 3.504 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccc(C)cc2)cc1 154525079 AFIDWOXPUCLRJM-INIZCTEOSA-N 279.383 3.858 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(-n2ccnc2)c1 156821955 ASDYHRMZLWZCKW-UHFFFAOYSA-N 297.402 3.691 30 20 CHED N#Cc1cccc(C(=O)Nc2cccc3ccc(O)cc23)c1 154883947 ALHJLWRUBQGJLK-UHFFFAOYSA-N 288.306 3.669 30 20 CHED CCN(CC#N)C(=O)C1(c2ccccc2C)CCCCC1 154965488 NMFGJMZCWKUJPO-UHFFFAOYSA-N 284.403 3.569 30 20 CHED N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)[nH]1 159612674 NJSGHCPDGYCYOP-QGZVFWFLSA-N 293.370 3.548 30 20 CHED N#Cc1cccc(CNc2nc3ccccc3s2)c1 37502167 CHLBBDBKWWNQAI-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C[C@@H](CCNc1ccc(C#N)nc1)c1ccccc1 149395460 REJLYQDVFLVFNN-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED C=C(C)CN(CC)Cc1ccc(Br)s1 57623453 MVQZPDKEIHEKHO-UHFFFAOYSA-N 274.227 3.909 30 20 CHED Cc1ccccc1CN[C@H](C)c1cccc(C#N)c1 37719111 YZMBPZKIHHWISN-CQSZACIVSA-N 250.345 3.718 30 20 CHED C=CCCCCN[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 463274033 BWQFUHRJFJJXPX-PKOBYXMFSA-N 286.463 3.985 30 20 CHED C=CCN(Cc1ccccc1)c1nc(C2CC2)ns1 302041411 LNSVUYSZBBHWIA-UHFFFAOYSA-N 271.389 3.608 30 20 CHED CN(CC(C)(C)C)c1nc2ccccc2cc1C#N 71389981 XMZWCRYMQVETIK-UHFFFAOYSA-N 253.349 3.589 30 20 CHED C=C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)O 312230887 FPTGLISVOQVPIN-OAHLLOKOSA-N 269.300 3.530 30 20 CHED Cc1cc(C(=O)N2CCC(CCC#N)CC2)sc1C 335384540 IQDLTCZCTNOMDW-UHFFFAOYSA-N 276.405 3.521 30 20 CHED CCCN(CC#N)CCc1cc(Cl)cc(Cl)c1 447348107 IIABHFBQRRVBJQ-UHFFFAOYSA-N 271.191 3.771 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCC[C@@H](C3CC3)C2)c1 467446341 DNFHVFPOEODKHZ-QZTJIDSGSA-N 268.404 3.659 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)C(C)C 470638229 UXJMAIYBDJAVIY-OAHLLOKOSA-N 259.393 3.883 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCCC1(F)F 381482047 FOXZOVSFNBTYNZ-VIFPVBQESA-N 254.255 3.545 30 20 CHED CCCC[C@H](CC)C(=O)N1CCC(CCC#N)CC1 399419380 UIAMSZMMOUDTKS-HNNXBMFYSA-N 264.413 3.745 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(C#N)cc1 51923477 DJNWRKJTCYQIPF-UHFFFAOYSA-N 264.372 3.623 30 20 CHED C=C(C)CN1CCC(NCc2ccc3ccccc3c2)CC1 106246359 MKIUZTJFKKPLPY-UHFFFAOYSA-N 294.442 3.970 30 20 CHED Cc1ccc(C)c(C(=O)N[C@H](C#N)c2ccccc2Cl)c1 172027779 NSEKOEQMLNSDQV-MRXNPFEDSA-N 298.773 3.952 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1ccco1 104547109 ZODWQEPMLAZSBS-HUUCEWRRSA-N 288.391 3.562 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)Nc1ccc(C#N)cc1)C1CC1 109846900 BDNXNPVFHJNVLE-STQMWFEESA-N 285.391 3.989 30 20 CHED C=CCCC(=O)Nc1cccc(Cl)c1OCCOCC 102245092 ZLYBYXSTMQGZRM-UHFFFAOYSA-N 297.782 3.660 30 20 CHED N#CCCCCNC(=O)N1CCC[C@@H]1CC1CCCCC1 170885190 VOVLJVNTKYKVDX-MRXNPFEDSA-N 291.439 3.825 30 20 CHED CN(C(=O)c1ccc2ccccc2c1)c1cccc(C#N)c1 63324690 KBJZGKBDDDNDNN-UHFFFAOYSA-N 286.334 3.988 30 20 CHED CC(C)c1ccc(CCNC(=O)c2sccc2C#N)cc1 52028667 ZRSABLOXOXBFLJ-UHFFFAOYSA-N 298.411 3.716 30 20 CHED CC(C)CCN(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 171150882 LBPBCGUXBMDBOD-UHFFFAOYSA-N 290.411 3.625 30 20 CHED Cc1cc([C@@H](C)NC(=O)Nc2cccc(C#N)c2)c(C)o1 67527985 DJZHPUXGXUMBKJ-LLVKDONJSA-N 283.331 3.651 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1ccc(C#N)s1 176972274 AVMKBFIVXHCEPS-SWLSCSKDSA-N 292.448 3.551 30 20 CHED COC(=O)c1oc(CSc2cccc(C#N)c2)cc1C 177356545 ZUFCEASEUZRAQS-UHFFFAOYSA-N 287.340 3.539 30 20 CHED CC(C)c1noc(CSCc2cc(F)ccc2C#N)n1 177681008 CQNRZJSYCHCKTR-UHFFFAOYSA-N 291.351 3.637 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)C1(C#N)CCCC1 115119130 SZFYJSVUSSQRIG-CQSZACIVSA-N 276.424 3.936 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Cc1cccc(F)c1 65775379 FVISZXAIJJVODM-UHFFFAOYSA-N 297.373 3.626 30 20 CHED C=CCCCC(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 176520687 UDQYIPDHTXZEAI-CQSZACIVSA-N 294.354 3.724 30 20 CHED CC(=O)Nc1ccc(NCc2cccc(C#N)c2)cc1Cl 36983134 MXFZVYZBQOEBSG-UHFFFAOYSA-N 299.761 3.782 30 20 CHED CC(C)Cn1cc(C(=O)N(C)C[C@@H](C)C#N)c2ccccc21 65880597 CGTYUJYGQIBVJB-AWEZNQCLSA-N 297.402 3.529 30 20 CHED N#Cc1cc(NCCC[C@@H]2CCOC2)ccc1C(F)(F)F 402384992 PLOOWZQVPFUGEG-LLVKDONJSA-N 298.308 3.806 30 20 CHED CC(=O)c1ccc(C#N)c(NCCOc2ccccc2C)c1 302077722 APBHPBBVCBLCKH-UHFFFAOYSA-N 294.354 3.560 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1cccc(OC(F)F)c1 301266266 HWASZSGYEDWCMT-JTQLQIEISA-N 289.285 3.728 30 20 CHED N#CCCCCNCc1cc(Cl)ccc1Cl 125953355 FKDHOMBQIZXGFF-UHFFFAOYSA-N 257.164 3.777 30 20 CHED C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1C 179769698 DRSHRGNMTFUEDW-WDEREUQCSA-N 291.782 3.864 30 20 CHED c1sc(C2CCCC2)nc1CO/N=C1/CCCOCC1 180472646 PNBYUHUFXLJRND-LGMDPLHJSA-N 294.420 3.874 30 20 CHED N#Cc1cccc(Cl)c1NCC[C@@H]1CCCCO1 302032263 CNGMUSHFRUSJAL-LBPRGKRZSA-N 264.756 3.583 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2cccc(F)c2)c(F)c1 302850474 IOGPPEOJMBQSSP-XJKSGUPXSA-N 270.282 3.804 30 20 CHED C[C@H](CCOc1ccccc1)C(=O)Nc1ccccc1C#N 75078264 XBZISRDSZYKVGK-CQSZACIVSA-N 294.354 3.602 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(OC(F)F)c1 182599197 MRSKSHHRJFXNIX-NSHDSACASA-N 283.318 3.763 30 20 CHED C[C@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 181231727 DPAVYBUVCZSYEK-APHBMKBZSA-N 283.375 3.601 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1cccc2cc[nH]c12 187561292 SUMRAXQQWLXIRZ-QGZVFWFLSA-N 287.359 3.554 30 20 CHED C=C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 121569402 UMUGDYQCKNUCMD-CYBMUJFWSA-N 296.326 3.893 30 20 CHED C=C[C@@H](C)NCc1csc(-c2ccc(F)cc2)n1 123203883 NMEZQEVLJRZRDM-SNVBAGLBSA-N 262.353 3.613 30 20 CHED Cc1cccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c1 182113556 IMKHQYRYDRWHPK-CYBMUJFWSA-N 280.327 3.538 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cnc2cc(C)nn2c1C 182182405 VTOGMUPYCOKLDZ-OCCSQVGLSA-N 286.423 3.742 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 127633157 LBLNBYMOZYWAET-JQWIXIFHSA-N 295.452 3.852 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccc(C(=O)O)cc2)c1 213711198 UDRWQBCVALWPDO-YFHOEESVSA-N 280.323 3.898 30 20 CHED CCC[C@H](C#N)NC(=O)C1CCC(c2ccccc2)CC1 79867430 BFDLBRKQRDWYOO-OFLPRAFFSA-N 284.403 3.769 30 20 CHED Cc1cccc2c(=O)n(CCC3(C#N)CCCCC3)cnc12 418901975 GFTOJRIONFUNMM-UHFFFAOYSA-N 295.386 3.569 30 20 CHED C=CCOC(=O)c1ccccc1SCc1cc(C)no1 73413071 SXZDWHVORQRYPD-UHFFFAOYSA-N 289.356 3.618 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(C#N)cc1 37502092 AYOUYIOLQIVTFD-JTQLQIEISA-N 285.278 3.779 30 20 CHED Cc1cccc2c1N(C(=O)c1sccc1C#N)CCC2 128034066 CXNGSGCGZGXZAE-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC2(CC2)C1 413839495 UJLYJIOJYVNIOP-KRWDZBQOSA-N 298.430 3.759 30 20 CHED C[C@@H]1C[C@H]1CC(=O)Nc1scc(C(C)(C)C)c1C#N 410919840 ANHVCDIEVNOVOH-ZJUUUORDSA-N 276.405 3.902 30 20 CHED C=C(Br)CNc1ccc(Cl)cc1C#N 122558780 CVMVOYKOYAQNSP-UHFFFAOYSA-N 271.545 3.532 30 20 CHED C=CCCC(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 187043567 RHTUHDPMEPLIFF-WFASDCNBSA-N 293.794 3.595 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)cc1C 187754637 KWPCWJIRRNITEA-OAHLLOKOSA-N 281.783 3.816 30 20 CHED CCc1nc(C)c([C@@H](C)N(C)CC2(CC#N)CC2)s1 602778995 DSSXXGMQEYWIQG-GFCCVEGCSA-N 277.437 3.701 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@@]1(C#N)CCc2ccccc2C1 183999115 ZODHTTOELYFDOW-BEFAXECRSA-N 298.430 3.626 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 185680297 RSAGUCXBLZPBEH-NVXWUHKLSA-N 283.415 3.688 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(OCC(F)F)c1 187960866 GPBSPWJINMCJKU-MRXNPFEDSA-N 297.345 3.549 30 20 CHED O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1ccccc1 49124333 ONPMXFULLATLBO-BQYQJAHWSA-N 282.730 3.884 30 20 CHED CCCCCCNC(=O)N[C@H](CCC#N)c1ccccc1 131482829 JEZYXSDBALCLBF-MRXNPFEDSA-N 287.407 3.911 30 20 CHED C=CCC[C@H](C)NC[C@H](c1ccco1)N(CC)CC 185228198 RUNKTTBGIWHEAR-LSDHHAIUSA-N 264.413 3.607 30 20 CHED CCc1ccc(Nc2c(C#N)nnc3ccccc23)cc1 41529595 HAJQJNVPORKKHB-UHFFFAOYSA-N 274.327 3.807 30 20 CHED C=C(C)CN(CC)C(=O)NCCC1CCCCC1 503364745 FYTSWAFETPQAQW-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C 412840569 NNSIKRMRTPLMQV-OAHLLOKOSA-N 259.393 3.726 30 20 CHED C[C@@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2)CCC[C@H]1C 603501114 LBAPECQECMIOSS-XUJVJEKNSA-N 271.364 3.504 30 20 CHED N#Cc1ccc(N2C[C@H]3CCC[C@H]3C2)cc1Br 228192920 ZCMCGXZBPHLFMM-TXEJJXNPSA-N 291.192 3.557 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(Cl)cc1Cl 44317969 CXDLXKVTAXLXCQ-SECBINFHSA-N 285.174 3.615 30 20 CHED CC(C)(C#N)CCOc1c(C(=O)O)ccc2ccccc12 87590274 XHROXADQZXMUHR-UHFFFAOYSA-N 283.327 3.857 30 20 CHED C=CC[C@H](C(=O)NCC1(SC)CCC1)c1ccccc1 194612587 XXJTZZQLHCIINA-HNNXBMFYSA-N 289.444 3.748 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)CCC1 190064213 JULSLHSDZXQVPB-JKSUJKDBSA-N 293.451 3.833 30 20 CHED N#CCNC1(c2cccc(C(F)(F)F)c2)CCCCC1 132018740 ALFWWCGYCORKLY-UHFFFAOYSA-N 282.309 3.978 30 20 CHED Cc1ccc2c(c1C)N(C(=O)CC(C)(C)C#N)CCC2 411086833 CHJAIFRKUHVVQS-UHFFFAOYSA-N 270.376 3.523 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@@H](C)Cc2ccccc21 509516412 OAXCAYDWUBMUAZ-ZDUSSCGKSA-N 290.366 3.706 30 20 CHED O/C(=N/CC1CCCCC1)c1cc(-c2ccncc2)on1 328665355 CBDRAYYXCUAUJK-UHFFFAOYSA-N 285.347 3.622 30 20 CHED CC(C)(C#N)CCC[S@@](=O)c1ccccc1Cl 87611175 BGEUEOMIFVMPKO-KRWDZBQOSA-N 269.797 3.778 30 20 CHED Cc1ccccc1C1CCN(CCCSCC#N)CC1 80628391 YRCNDEFJNSLRRL-UHFFFAOYSA-N 288.460 3.821 30 20 CHED CCCCCCCC(=O)N1CCCC[C@H]1c1cc[nH]n1 285881815 CHWKICBHOBAGMA-HNNXBMFYSA-N 277.412 3.824 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 425612783 QZURPRWTDNVAQI-DLBZAZTESA-N 299.418 3.546 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)NCC(C)(C)CCC#N)C1CC1 513113559 PFEWOAXODUIHEP-UONOGXRCSA-N 293.455 3.925 30 20 CHED Cc1c(F)ccc(Cl)c1C(=O)N1CCC(C)(C#N)CC1 336539154 JUBKIXDAAPJLDB-UHFFFAOYSA-N 294.757 3.553 30 20 CHED Cc1cc(OCCCC2(C#N)CCOCC2)ccc1F 337229401 RWJWRSFCYQCJAG-UHFFFAOYSA-N 277.339 3.614 30 20 CHED CC(C)(C)Cc1nc2cc(NC(=O)C(C)(C)C#N)ccc2o1 330643681 DJFXQFNAXNYLCM-UHFFFAOYSA-N 299.374 3.905 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2cnn(CC)c2c1 424632495 XQNLCQXKJRUUPX-UHFFFAOYSA-N 271.364 3.597 30 20 CHED C=C1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 336329119 RXHMDJDPRGXESN-UHFFFAOYSA-N 288.372 3.504 30 20 CHED COc1ccc(CN2CCC(CCC#N)CC2)c(Cl)c1 519706550 FOZCXVFYXFNCKI-UHFFFAOYSA-N 292.810 3.864 30 20 CHED CCCC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCC1 518334882 BNYZRDPCJPBASA-DLBZAZTESA-N 296.414 3.748 30 20 CHED CCCN(CCC1(OC)CCC1)Cc1ccc(C#N)cc1 338905779 CGHBFSLVYFHICQ-UHFFFAOYSA-N 286.419 3.729 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)/C(C)=C/CC 194223652 SACLLGHHRNNNJG-MDWZMJQESA-N 261.340 3.697 30 20 CHED C[C@@]1(C(O)=Nc2ccc3ccoc3c2)C[C@H]2CC[C@H]1O2 330115791 UJXPDOVONFDOQQ-XNRPHZJLSA-N 271.316 3.978 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1Cl 335863291 MPBFCDFZLKYFET-YGRLFVJLSA-N 289.766 3.618 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccccc3F)C2)c(F)c1 337501859 MEUZGGSTEANCMF-AWEZNQCLSA-N 298.336 3.826 30 20 CHED CCN(CCC#N)C(=O)Nc1cccc2ccsc12 337329429 SQCABJIEVNLFCM-UHFFFAOYSA-N 273.361 3.669 30 20 CHED C[C@H](NCc1ccc(C#N)s1)[C@@H]1C[C@H]1c1ccccc1 421888026 SZQSSZPRGQGRGV-ZLIFDBKOSA-N 282.412 3.902 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnc(-c2ccco2)s1 336316420 HLZDMAVTIICZGO-NSHDSACASA-N 288.372 3.584 30 20 CHED Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1O 336632498 KVVCIRXDHLWPRH-UHFFFAOYSA-N 294.354 3.754 30 20 CHED CC1(C#N)CCC(Nc2ccccc2-n2cccn2)CC1 336226608 ZFEVIEDTUCCNHZ-UHFFFAOYSA-N 280.375 3.757 30 20 CHED N#Cc1ccncc1NCC1(Sc2ccccc2)CC1 94157679 NWKZRZUOJQVEHP-UHFFFAOYSA-N 281.384 3.690 30 20 CHED C=CCC1(C(=O)N2CCCC3(CCOCC3)C2)CCCC1 336217249 URZQTEXILMSMHJ-UHFFFAOYSA-N 291.435 3.542 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C#N)s1 334935588 NFTRNZGNOWUREN-QGZVFWFLSA-N 293.395 3.659 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1 437236077 MLLATYFAHGERJM-ZWKOTPCHSA-N 299.414 3.826 30 20 CHED N#Cc1csc(CN[C@H]2C[C@@H]2C2CCCCC2)c1 530640589 XFQYTIUOLCHMPO-CABCVRRESA-N 260.406 3.678 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H](Cc2ccccc2)C1 523943735 CQZMRYGWQLAZGW-NVXWUHKLSA-N 286.419 3.615 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnc([C@@H](C)CC)nc1 434530539 NWOAGCJSWWKTLE-STQMWFEESA-N 290.411 3.856 30 20 CHED N#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCCC1 245941360 TWMIIFROCIBDMN-OWCLPIDISA-N 288.435 3.888 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CSc3ccccc32)n1 344627188 NVHJDURGPFOKRD-AWEZNQCLSA-N 281.384 3.829 30 20 CHED C[C@H](SC[C@@H]1CCO[C@H]1C)c1ccc(C#N)cc1 601050833 SHAHLNCGCXWKPB-HUBLWGQQSA-N 261.390 3.777 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1ccc(F)c(C)c1 436079622 GFGWWVSXKCOOLT-UHFFFAOYSA-N 275.367 3.861 30 20 CHED CC(C)c1ccc(CNC(=O)c2cccc(CC#N)c2)cc1 603737313 OCFWKRYHIITXGQ-UHFFFAOYSA-N 292.382 3.806 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(Br)o2)no1 526947595 NOYPEPOEBWRKAJ-LBPRGKRZSA-N 297.152 3.946 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2ccccc2CC#N)cc1 600943845 KSUWTPSVDRJHTL-CQSZACIVSA-N 292.382 3.806 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 430334151 UGUQREDMYIBCKL-HNNXBMFYSA-N 274.408 3.958 30 20 CHED COc1ccc(Cl)cc1N=Cc1ccccc1O 255695006 YUHMMUNOYOZEMY-UHFFFAOYSA-N 261.708 3.805 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(CC(C)C)c1C 346787461 LXPPPTKXVCYRCE-UHFFFAOYSA-N 275.396 3.554 30 20 CHED CC[C@@H](NCC1(C#N)CC1)c1nc(C(F)(F)F)cs1 348281354 YKEFATQOHSKTNG-MRVPVSSYSA-N 289.326 3.506 30 20 CHED Cc1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1F 602485588 VWAQDWVWWZTQCI-CYBMUJFWSA-N 276.355 3.645 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc2c(c1)oc1ccccc12 347065664 JVZYPSMUGFZBTD-SNVBAGLBSA-N 264.284 3.684 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1F 345609239 IINHVLVBPYQKFI-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCCOCCCCC(=O)Nc1nc(CC)c(C)s1 342635537 LIEHZTBUOGADGA-UHFFFAOYSA-N 296.436 3.715 30 20 CHED C=CCN(C(=O)c1cc(Cl)c(F)cc1Cl)C1CC1 345209079 KNUUTPCIOFVXKH-UHFFFAOYSA-N 288.149 3.923 30 20 CHED C=CCN(CCO[C@H]1CCCCO1)CC1CCCCC1 444647984 IOSHRXRMBFIWOT-KRWDZBQOSA-N 281.440 3.598 30 20 CHED N#CCc1cccc(NCCCc2ccc3c(c2)CCO3)c1 449697200 KYFALPDZVORGOB-UHFFFAOYSA-N 292.382 3.732 30 20 CHED C[C@H](CCC#N)CNCC#Cc1ccc(C(F)(F)F)cc1 602588515 NLQVXHIJHQFNKK-CYBMUJFWSA-N 294.320 3.586 30 20 CHED C=CCCCC[C@H](C)NCc1nc(C)c(C)s1 449166631 FFAYBBXOSABZKZ-NSHDSACASA-N 252.427 3.984 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CCC[C@@H](C)C1 602526622 OWQOWAUCMPJWPY-PMPSAXMXSA-N 278.440 3.501 30 20 CHED C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)CS1 602579552 AIQUDEJSIZVXOL-BPLDGKMQSA-N 260.406 3.515 30 20 CHED N#Cc1c(CN2CCC[C@H]3CCC[C@H]32)cn2ccccc12 441432719 FGWCDDHYOIOFND-RHSMWYFYSA-N 279.387 3.575 30 20 CHED CC1(C)CC(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 352435086 HQICTDFYCKVPQD-UHFFFAOYSA-N 294.301 3.534 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)o1 539418817 MNVHKQXYDBNHAJ-HZSPNIEDSA-N 258.365 3.600 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C(=O)OCC)c1ccccc1 446795343 GXOJKNBRGZQOPB-HZPDHXFCSA-N 275.392 3.625 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1ccc(NC(=O)C2CC2)cc1 602508821 BHOSNTGFRNAUCT-KGLIPLIRSA-N 299.418 3.626 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](C)Cc1ccccc1C 446377448 RSTIQOUWRUDRAG-INIZCTEOSA-N 296.414 3.686 30 20 CHED Cc1cc(NC(=O)N(C)C[C@H](C)C#N)ccc1C(F)(F)F 266400985 PBPNNJVHFFFZJM-SECBINFHSA-N 299.296 3.637 30 20 CHED COc1ccccc1-c1nc(Cn2ccc(C#N)c2)cs1 447786896 OETTUOJOBLVZJI-UHFFFAOYSA-N 295.367 3.540 30 20 CHED CCc1nnc(CSCc2cc(C#N)ccc2F)s1 612024368 UVSHGXFJHIVJGK-UHFFFAOYSA-N 293.392 3.545 30 20 CHED C=CCCC[C@H](C)NC(=O)NC(C)(C)c1ccc(C)nc1 354168996 HCYBYKDKLMXTBV-AWEZNQCLSA-N 289.423 3.669 30 20 CHED C=CCCSc1nncn1[C@H](C)c1ccccc1 265701727 KMWPAHBRXJLSPX-GFCCVEGCSA-N 259.378 3.556 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ncccc1Cl 618693313 DNUQNBSBTZXONX-CQSZACIVSA-N 269.735 3.706 30 20 CHED CC1CCC(=CC(=O)N(CCC#N)Cc2ccco2)CC1 265190807 CFDLGKAIRSYMIP-UHFFFAOYSA-N 286.375 3.658 30 20 CHED C=CCCCC[C@@H](C)NCCc1nn(C)c2ccccc12 449247413 GCNHYCOZZQZAAL-OAHLLOKOSA-N 285.435 3.840 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(C#N)cc1F 535871980 XBZNGYRDBUEBOG-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@](C)(CC)C1)c1ccccc1 533990647 PJFCOGZGMVPPBT-YJBOKZPZSA-N 271.404 3.995 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccccc1NC1CCCCC1 537263078 HTKIKSQGRSSTLZ-AWEZNQCLSA-N 299.418 3.853 30 20 CHED CCC[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612236292 GCEPIWMMTVLPQI-SJLPKXTDSA-N 284.403 3.723 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@](C)(C#N)C1 619809589 YIURKAFAHLAKPP-YQVWRLOYSA-N 296.414 3.505 30 20 CHED CC(C)(CC#N)CNC(=O)C1(c2ccccc2)CCCC1 457984382 CNXMCUQBUNRVCP-UHFFFAOYSA-N 284.403 3.554 30 20 CHED C=CCC(C)(C)c1noc([C@H](Cc2ccccc2)OC)n1 453190620 VFJCYQWKCZJKES-AWEZNQCLSA-N 286.375 3.854 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc2ccncc12)OCC 535910129 LLQJHLKRDVUZMN-INIZCTEOSA-N 284.359 3.545 30 20 CHED CCC1(CC)[C@@H](N(C)Cc2ccc(C#N)s2)C[C@H]1OC 538797742 WUXIJYHKASKFKD-LSDHHAIUSA-N 292.448 3.645 30 20 CHED C=CCN(CCc1ccccc1)Cc1cc(OC)cc(C)n1 533846058 VQNHVFVZDVXTLR-UHFFFAOYSA-N 296.414 3.629 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)c1cccc(C#N)c1 362170672 GJTWKBMGAVIYPI-CQSZACIVSA-N 297.402 3.593 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2ccccc2F)C1 617784576 UMWYIUGMOXZRST-CABCVRRESA-N 289.394 3.819 30 20 CHED N#C[C@@H]1CC[C@H](Sc2n[nH]c(/C=C/c3ccccc3)n2)C1 450800441 YFRFQYJXKQBRDR-QPJKDDTCSA-N 296.399 3.759 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)[C@H](C)c1cccc(C#N)c1 457201110 XRYJARHUFQUMQA-QWHCGFSZSA-N 272.392 3.603 30 20 CHED N#CCN(CC1CCC(c2ccccc2)CC1)C1CC1 614907795 HPXZZWHUQHBVCD-UHFFFAOYSA-N 268.404 3.948 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)Cc1ccc(C#N)cc1 454656897 COYBVTUUDYMOPC-UHFFFAOYSA-N 284.403 3.552 30 20 CHED N#Cc1ccccc1OCCn1ccc(-c2cccs2)n1 360289848 CRSMNTSRQPDCPF-UHFFFAOYSA-N 295.367 3.562 30 20 CHED CC(C)CC(C)(C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618788224 UPKPUCVMBVRPQD-MRXNPFEDSA-N 284.403 3.734 30 20 CHED C=C(C)CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 368443376 WRLPYWMSPMWCHO-GFCCVEGCSA-N 274.339 3.722 30 20 CHED CC(C)(CCC#N)CN[C@H](c1ncc[nH]1)C1CCCCC1 367904979 SSXNSXFGSDAOMP-HNNXBMFYSA-N 288.439 3.951 30 20 CHED Cc1cccc([C@H](C)C(=O)N(C)c2ccc(C#N)cc2F)c1 610043938 ZHKSIUFRVXKJFK-ZDUSSCGKSA-N 296.345 3.772 30 20 CHED COCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(C)o1 272068514 BOWPYLFUKFZGEF-RHSMWYFYSA-N 298.386 3.888 30 20 CHED C=CCCc1noc([C@@H](c2ccccc2)C2CC2)n1 453225009 CTWVFNHYHJMFAS-HNNXBMFYSA-N 254.333 3.730 30 20 CHED C=CCN(C(=O)C1(c2cccc(C)c2)CCCC1)C1CC1 542523894 ZPQCFUFPADHVPJ-UHFFFAOYSA-N 283.415 3.984 30 20 CHED C=CCCN1CCn2c(cc3c(Cl)cccc32)C1 549342844 ZLGATCBPSVYYJA-UHFFFAOYSA-N 260.768 3.686 30 20 CHED C=CCCN(C)C(=O)c1ccc(C)c(Cl)c1Cl 451066368 WZXOJCVWXGVDOD-UHFFFAOYSA-N 272.175 3.950 30 20 CHED CC(C)c1ccc(Cc2noc([C@]3(C#N)C[C@H]3C)n2)cc1 453054660 BKCARENWFYPZHY-PXAZEXFGSA-N 281.359 3.585 30 20 CHED CO[C@@H]1CCCC[C@H]1N[C@H]1CCCCc2cc(C#N)ccc21 360656521 IJOPIKHKBADNCZ-IPMKNSEASA-N 298.430 3.873 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(-c2nccs2)c1 362616171 WLKBDNCRZQUEIV-JTQLQIEISA-N 273.361 3.506 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H](CC(C)C)C2)c1C#N 541349156 MBELMJFZIFNAJE-LBPRGKRZSA-N 277.799 3.788 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1 367973852 QRYMPKJZYPPULQ-DYVFJYSZSA-N 284.403 3.598 30 20 CHED CC(C)CCCCC(=O)NCc1cc(C#N)ccc1F 457596089 ADAFVPAHDZMOLQ-UHFFFAOYSA-N 276.355 3.530 30 20 CHED N#Cc1cccc(SC2CCCCC2)c1[N+](=O)[O-] 450211769 QTLXYKAQPYXOSD-UHFFFAOYSA-N 262.334 3.891 30 20 CHED CC[C@@H](C#N)NC(=O)c1sc(C2CCCCC2)nc1C 547814020 SPZQKDSYSLZJPN-LBPRGKRZSA-N 291.420 3.531 30 20 CHED CC1(C)CC=C(C(=O)NCC(C)(C)CCC#N)CC1 456052311 PPPJYLTUPMJBSY-UHFFFAOYSA-N 262.397 3.569 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc3cc[nH]c3c2)no1)OCC 273944161 NIUPJPHRGYGINZ-HNNXBMFYSA-N 297.358 3.742 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(Br)c1C 454666467 FOVIQWLQPJGKQO-UHFFFAOYSA-N 297.196 3.845 30 20 CHED C=CCC[C@H](NCCC1CCC(OC)CC1)C1CC1 543598149 ZQRWIGCKUQABFH-PREGVCBESA-N 265.441 3.916 30 20 CHED C=CCCCCNC(=O)C[C@H](C)C(=O)c1cccc(F)c1 274693436 VYNVYXUDZIWUQG-ZDUSSCGKSA-N 291.366 3.507 30 20 CHED CC(C)(C#N)CCCCSc1ccc(Cl)nn1 277724723 OSBSXNYNIUEPRP-UHFFFAOYSA-N 269.801 3.942 30 20 CHED Cc1ccnc(N(C)CCc2ccc(Cl)cc2)c1C#N 543208395 PYYCKOLZFXKIQM-UHFFFAOYSA-N 285.778 3.594 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 542587777 WJRMNPRBBXGCJI-HRCADAONSA-N 281.440 3.690 30 20 CHED Cc1ccnc([C@H](C)NC2(c3cccc(C#N)c3)CC2)c1 286075541 LGCITFDTHWRSMN-AWEZNQCLSA-N 277.371 3.602 30 20 CHED Cc1cc(C(=O)/C=C/c2cn(C(C)C)nc2C)oc1C 281823179 GVEWOGRGZWCIRH-VOTSOKGWSA-N 272.348 3.878 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)Cc1ccc(OC)cc1 281202268 BXLUVBHGGIWKIF-OAHLLOKOSA-N 290.407 3.581 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@@H]1CC 460548237 YNPFZXILDGEDOY-KFWWJZLASA-N 290.455 3.993 30 20 CHED N#Cc1ccnc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 283412021 ABHILYKUNQUGDW-SJLPKXTDSA-N 293.370 3.533 30 20 CHED CCC[C@H](C#N)NC(=O)c1csc2cc(C)ccc12 558835211 BQLFLQQYPXRALV-LLVKDONJSA-N 272.373 3.632 30 20 CHED CC#CCCCC(=O)NCC(C)(C)c1ccc(CC)cc1 466426346 QGXOSUDZMLGPMK-UHFFFAOYSA-N 285.431 3.836 30 20 CHED C=CCN(CC=C)C(=O)NCC1(Cc2ccccc2)CCC1 466606592 IYCWELPUTOIIHD-UHFFFAOYSA-N 298.430 3.783 30 20 CHED Cc1ccccc1NC(=O)CCSCCC(C)(C)C#N 289398842 MXRFRLZJDZWHKH-UHFFFAOYSA-N 290.432 3.997 30 20 CHED CCC1(C(=O)Nc2cc(C#N)ccc2OC)CCCCC1 460675533 GYUVKIBILQWVNZ-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C=CCC[C@@H](NCC(C)(C)CCCO)c1ccco1 286172094 QLCCKFVEOBSWCT-CQSZACIVSA-N 265.397 3.675 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@H](SCC)C1 466367220 RFLDZTJQTBKILG-KBPBESRZSA-N 284.469 3.658 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1csc(C(C)C)n1 280824026 NSYVOEFKTCVQFV-YDHLFZDLSA-N 294.464 3.898 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 465246476 LUJKRZBBCBSXRU-CYBMUJFWSA-N 294.354 3.614 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](c1ccccc1)N(CC)CC 466533873 KQXSLOHGGQUVQN-IAGOWNOFSA-N 288.435 3.540 30 20 CHED CC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 280527502 IEPSWQIWCBWRNY-HNNXBMFYSA-N 272.392 3.652 30 20 CHED CC(C)n1nccc1/C=C1\CCOc2ccccc2C1=O 280110560 VOWPIZWCBZGLDH-ACCUITESSA-N 282.343 3.513 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCCc2occc2C1 288967842 YNDTWZCEJOABQL-ZDUSSCGKSA-N 266.344 3.661 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cccc(-n2ccnn2)c1 550856220 INAMAJFLIQDQAI-CQSZACIVSA-N 284.407 3.520 30 20 CHED C=CCC(C)(C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 293286400 KABYSEHOUCWFKD-UHFFFAOYSA-N 288.435 3.703 30 20 CHED C=CCCCCNC(=O)C[C@H](C)c1ccccc1C 471705934 NFTACONOHXJPGG-HNNXBMFYSA-N 259.393 3.961 30 20 CHED C[C@@H]1/C(=C/c2cnc3ccccn23)C(=O)c2ccccc21 809155829 GRXPGROUNGACNS-KPENOIPVSA-N 274.323 3.718 30 20 CHED CCc1ccc([C@@H]2CCN([C@H]3CC[C@@H](C#N)C3)C2)cc1 293684821 VYSQFEUCTSKKBJ-NXHRZFHOSA-N 268.404 3.731 30 20 CHED C=CCC(C)(C)CN[C@@H](C)CC(=O)Nc1ccccc1C 559878092 PLFLGCPMFBTYBG-HNNXBMFYSA-N 288.435 3.904 30 20 CHED N#CCC1(CN(Cc2ccccc2)CC2CCC2)CC1 1167158738 YLFGADPFNVNGHD-UHFFFAOYSA-N 268.404 3.983 30 20 CHED C=C(C)CN(C)C(=O)CCc1ccc(C(C)(C)C)cc1 479236756 BREYCMYDBRTRRJ-UHFFFAOYSA-N 273.420 3.951 30 20 CHED C#C[C@H](NC(=O)C(C)(C)c1cccc(Cl)c1)C(C)(C)C 807881646 APYVJHRPGYEFQX-AWEZNQCLSA-N 291.822 3.782 30 20 CHED C[C@H]1CC[C@H](c2ccccc2)N(C(=O)CCCC#N)C1 291448822 LAVFPTMMWAWKDI-GOEBONIOSA-N 270.376 3.680 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cc(C)cc(Cl)n1 800495895 QXVBOPIPDKVYMI-RYUDHWBXSA-N 252.789 3.734 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cc(-c2ccc(C)o2)ccc1C 806500769 LWNYGONTSZDJMD-GFCCVEGCSA-N 282.343 3.707 30 20 CHED C#Cc1cncc(C(=O)N2CCCC3(CCCCCC3)C2)c1 806958251 FEVMWIDHAQUIID-UHFFFAOYSA-N 296.414 3.640 30 20 CHED CC[C@@](C)(C#N)C(=O)OC/C=C/c1ccc(Cl)cc1 803783273 ZDKDSBXPZBVWCX-RGDDUWESSA-N 277.751 3.836 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)CCCCCC#N 805911875 USOQLSOYQTVLCZ-HZSPNIEDSA-N 251.370 3.828 30 20 CHED c1ccc(C2CCC(=NN[C@@H]3CCSC3)CC2)cc1 808003186 KKJVCABKBDXBQE-BZSJEYESSA-N 274.433 3.795 30 20 CHED COC(=O)c1ccccc1CCSc1ccc(C#N)cc1 479217549 FSGJJHCGKLGHNH-UHFFFAOYSA-N 297.379 3.680 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCCS1 470649474 UCTREBFQOAKNHJ-MRXNPFEDSA-N 289.444 3.877 30 20 CHED Cc1ccccc1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 647371446 QORPOVMCXFRGGW-ZDUSSCGKSA-N 282.368 3.819 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cnn(C(C)C)c2)CCCC1 569554243 UAHIAKJOYBRRMX-AWEZNQCLSA-N 289.423 3.778 30 20 CHED C=CCOc1ccc(CNC(=O)CCCCCC)cc1 804139636 HDHLBTQPQJUGNZ-UHFFFAOYSA-N 275.392 3.838 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1c[nH]c2cc(C)ccc12 473185666 URVYJACWQHVWQK-SFHVURJKSA-N 284.403 3.737 30 20 CHED Cc1cc(SCCO[C@@H](C)C#N)c2ccccc2n1 802751758 OYPDMMQMHYPAAZ-LBPRGKRZSA-N 272.373 3.564 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](c1cccs1)C1CC1 811870945 NSGOKCSHTOAIAZ-GOSISDBHSA-N 295.407 3.539 30 20 CHED C#Cc1cccc(NC(=O)NCCc2ccc(C=C)cc2)c1 812917986 LSMXPNMAAHRRST-UHFFFAOYSA-N 290.366 3.675 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)Oc1ccccc1C 481168077 UOVWJPFGIBSGPS-HNNXBMFYSA-N 275.392 3.577 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(Cl)ccc1C 814716121 ZHVZMSZEDMAHNV-UHFFFAOYSA-N 259.683 3.798 30 20 CHED N#CC1(CNC(=O)CCCc2csc3ccccc23)CC1 564628417 XBEFWOZKVGTTFR-UHFFFAOYSA-N 298.411 3.644 30 20 CHED CCCOc1ccc(C=NOC/C=C/Cl)cc1 811669765 UGZPGPABSJXEOE-BREDZUCKSA-N 253.729 3.578 30 20 CHED C=C(C)CNC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C 488561745 QVVNBYZLCMNVRJ-CJNGLKHVSA-N 272.392 3.575 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H](C)C1CCCCC1 486206268 VJABRVBMMCMYBB-XOSAIJSUSA-N 293.451 3.689 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCC#Cc1ccc(F)cc1 481180053 LCBDAPHTOZFWFR-JKIFEVAISA-N 259.368 3.592 30 20 CHED C=CC[C@@H](C(=O)NCCSCC(C)C)c1ccccc1 489599689 OATKPXDIAYZDFS-MRXNPFEDSA-N 291.460 3.852 30 20 CHED CC(C)(C)c1n[nH]cc1C=NNc1nc2ccccc2s1 812371010 JGIVGWMTBLRPAQ-UHFFFAOYSA-N 299.403 3.763 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)c2cccc(C3CC3)c2)C1 570017585 RJJAYVVSROZZHZ-YNAXMUEKSA-N 282.387 3.681 30 20 CHED N#CCCSc1ccccc1NC[C@@H](C#N)CCC#N 573083938 OCPNOZBEGHUCGR-CYBMUJFWSA-N 284.388 3.548 30 20 CHED Cc1ccc2c(C)cc(NN=CC3(C)COC3)nc2c1C 814769901 XGCYVNBTLVFYSL-UHFFFAOYSA-N 283.375 3.594 30 20 CHED Cc1ccc2c(c1)CCN([C@@H](C)c1ccc(C#N)cc1)C2 483969784 ABXOHEPLTYBPKZ-HNNXBMFYSA-N 276.383 3.986 30 20 CHED C=CCCCCCCCNC(=O)N1C2CCC1CC2 812493364 HDMHLLBHDQSQSA-UHFFFAOYSA-N 264.413 3.849 30 20 CHED CC(C)(NCc1ccc(F)cc1C#N)c1ccccc1 489565574 IRIAAPJXLLXIMP-UHFFFAOYSA-N 268.335 3.722 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 814387302 OIFYSZVJGLZZTJ-DLBZAZTESA-N 296.414 3.725 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)OC1CCCCCC1 488813917 JBCWIXAYWNYMRQ-HUUCEWRRSA-N 279.424 3.681 30 20 CHED CSC[C@H]1CCCN(c2c(Cl)cccc2C#N)C1 488949002 SKWWNPNUOPUTQT-NSHDSACASA-N 280.824 3.791 30 20 CHED C#CCCCCN[C@H](c1ccc(OC)cc1F)C1CC1 817580707 KDXHLNQITWTGHP-KRWDZBQOSA-N 275.367 3.679 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CC(=NOCC1CC1)CC3 814244574 AELFATZGKMRPKU-UHFFFAOYSA-N 268.360 3.748 30 20 CHED COc1cccc(NN=CCCc2ccccc2)c1 725853626 PODPVKXPTPJKJS-UHFFFAOYSA-N 254.333 3.726 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(F)cc1O 727778527 LFZKPXKDCXWENC-UHFFFAOYSA-N 262.259 3.507 30 20 CHED O=C1/C(=C\c2cc(F)c(F)c(F)c2)Oc2ccc(F)cc21 727974636 LGETYFYVZNRWBT-WLRTZDKTSA-N 294.203 3.859 30 20 CHED C=CCn1c(SCC(=O)CCC)nc2ccccc21 573251204 CMAWDCJQFMEFPP-UHFFFAOYSA-N 274.389 3.684 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(Cl)n1 823619011 WFJCRFCJOAIDLB-LBPRGKRZSA-N 285.778 3.800 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCC1(C)C 497855591 YYTLXXHEQNHFAS-OAHLLOKOSA-N 290.407 3.598 30 20 CHED CC(C)(C#N)CCCCN1CC[C@H](c2cccnc2)C1 580322453 PCROSLOWNLYCDH-INIZCTEOSA-N 271.408 3.591 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(O)c(F)c1 728429774 PKXUMTMKYRHWRV-NSHDSACASA-N 272.323 3.606 30 20 CHED C=CCC[C@H](NC(=O)N[C@]12CCC[C@H]1C2)c1ccccc1 664497045 NIHGUGILTYXKKY-BQFCYCMXSA-N 284.403 3.936 30 20 CHED C=CCC[C@H](NC(=O)/C=C\C1CCOCC1)c1ccccc1 492217375 KHXVIYZYSHLYKK-LENZSSGSSA-N 299.414 3.793 30 20 CHED C=CCn1c(S[C@H](C)OCC)nnc1-c1cccs1 901514805 FKELDXAORDSKRA-SNVBAGLBSA-N 295.433 3.667 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CSc2ccccc21 735415245 RBZAGUTVYCNVSP-LFMVTYOGSA-N 285.368 3.667 30 20 CHED CC(C)C#CC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 826853803 ZJVDXKSPWOTXJH-SFHVURJKSA-N 294.398 3.881 30 20 CHED C=CC[C@@H](NC(=O)c1cc(C)c(C)s1)c1ccncc1 734455399 DTEFCZFRHVMRAN-CQSZACIVSA-N 286.400 3.807 30 20 CHED C[C@H]1C[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)CC[C@H]1C 835036754 NHKWGHGHLMEVIM-ZOBORPQBSA-N 295.386 3.811 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC(C)=C(C)C1 908669824 WXUUBYAQIMZMFY-HOTGVXAUSA-N 289.419 3.649 30 20 CHED C=CCCCN(CC)Cc1cc(C(=O)O)ccc1Cl 903961189 OZZHNECEGYBVNP-UHFFFAOYSA-N 281.783 3.826 30 20 CHED N#CC1(CCCCOC(=O)c2n[nH]c3ccccc23)CCC1 908715934 UDVJVMQNRJTVDG-UHFFFAOYSA-N 297.358 3.584 30 20 CHED C=CCCCCCN(C)C(=O)/C=C\c1ccccc1 739654339 NGXGKLWUQRCEJV-YPKPFQOOSA-N 257.377 3.905 30 20 CHED CC(=NNc1ccc(F)cn1)c1cccc(OC(F)F)c1 731318263 JWAQNGPGECGMOL-UHFFFAOYSA-N 295.264 3.658 30 20 CHED CCCCCCCCCOC(=O)c1cn(C)nc1C 733608178 GXLMPYGQGFFBFH-UHFFFAOYSA-N 266.385 3.636 30 20 CHED CCCNC(=S)Nc1ccccc1S[C@H](C)CC#N 731318844 DRGPOPNFAHMEQH-LLVKDONJSA-N 293.461 3.777 30 20 CHED Cc1cccc(-c2c(C)nn(CC(F)(F)F)c2C)c1C#N 904752827 NHKDTKXBHXCVBR-UHFFFAOYSA-N 293.292 3.909 30 20 CHED FC(F)(F)c1ccnc(NN=C2CC[C@H]2C2CC2)c1 834984658 DNCAZTOAMRTQIC-JTQLQIEISA-N 269.270 3.688 30 20 CHED CC(CCc1cccc(C)c1)=NNc1nccnc1Cl 733079360 ICIYBBHBAQNCKK-UHFFFAOYSA-N 288.782 3.859 30 20 CHED N#CCC[C@@H](C#N)CNc1cccc(N2CCCCC2)c1 732918263 BGKAYXDMTRYKRJ-HNNXBMFYSA-N 282.391 3.532 30 20 CHED CC(C)n1cc(/C=C2/Cc3c(Cl)cccc3C2=O)cn1 732714232 OMNJHMTWLHMWRU-SDQBBNPISA-N 286.762 3.940 30 20 CHED Cc1ccc(C=NNCc2cccc3cccnc23)cc1 915961613 AVGXDYCQJZIDGK-UHFFFAOYSA-N 275.355 3.667 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1cccnc1 916317043 WZLMYEONTMVUGI-UHFFFAOYSA-N 281.146 3.620 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1csc(C(=O)O)c1 730148956 QUEBYJQJWDMQBW-DAFODLJHSA-N 294.278 3.621 30 20 CHED Cc1cnc2ccccc2c1N1CCC(CC#N)CC1 1325122435 ZUJWEUWYVGHJNK-UHFFFAOYSA-N 265.360 3.673 30 20 CHED C[C@@H](C(=O)N(C1CC1)[C@H](C)C#N)c1ccc2ccccc2c1 598129988 AIGMRQCCNBCIGV-ZIAGYGMSSA-N 292.382 3.846 30 20 CHED C[C@H](C#N)N(C(=O)CCCc1ccc(Cl)cc1)C1CC1 598133394 XSTTYYZBNBNTRJ-GFCCVEGCSA-N 290.794 3.566 30 20 CHED CN(CCCCC#N)c1ccccc1Br 595895453 MYLGPUNBSVXYQN-UHFFFAOYSA-N 267.170 3.579 30 20 CHED C[C@]1(CC(=O)OCc2ccc(C#N)cc2)CC1(Cl)Cl 835144918 IYWITAVGAOZDBW-ZDUSSCGKSA-N 298.169 3.575 30 20 CHED CCC(C#N)(CC)c1nc(C(C)(C)c2cc(C)ccn2)no1 599184671 GIQZXSXKYKGNSJ-UHFFFAOYSA-N 298.390 3.680 30 20 CHED CCC(CC)[C@H](CC/N=C/c1c(O)cccc1OC)OC 746523347 VKTZHTRFUCTRRK-IQFISFIMSA-N 293.407 3.661 30 20 CHED C[C@@H](C/N=C\c1ccccc1O)Sc1ccccc1 743044894 TUHMVFUFEWDCHX-IGWPVBGESA-N 271.385 3.992 30 20 CHED O=C(O)c1ccc(NN=CC2CCCCCC2)cc1 741836741 DUGLHMRYICJZDD-UHFFFAOYSA-N 260.337 3.753 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(Cl)c1Cl 674988280 LUWKIDLRWNFIDP-SSDOTTSWSA-N 259.136 3.689 30 20 CHED C=CCC[C@H](NCCCOc1ccccc1F)C1CC1 747859757 QPUSQYOUTBFIKI-INIZCTEOSA-N 277.383 3.929 30 20 CHED COCC[C@H](C)C/N=C/c1c(O)ccc2ccccc12 840709456 DGERSWYOKAJPIE-HTMJNSLASA-N 271.360 3.637 30 20 CHED CC(=O)CC1(C(=O)OCCC2(C#N)CCCCC2)CCC1 840497038 SXFVZLGEEFFHGL-UHFFFAOYSA-N 291.391 3.543 30 20 CHED Cc1ccc(CON=Cc2c(C)nc3sccn23)cc1 742359605 LFJVVUOBXNATLG-UHFFFAOYSA-N 285.372 3.563 30 20 CHED CCCCCCCN1CCC[C@@H](c2ccnc(C)n2)C1 740875895 KZRUCYMMRTXEHD-MRXNPFEDSA-N 275.440 3.935 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2CC(C)C)cc1 843266509 WQIMCDRITOTCPK-CMDGGOBGSA-N 268.360 3.744 30 20 CHED CC[C@H](C)C(C)=NNc1oc(C(C)(C)C)nc1C#N 746497797 LYTJRXQUWBHPPX-VIFPVBQESA-N 262.357 3.678 30 20 CHED N#C[C@H](N[C@H](c1ccccc1)C1CC1)c1ccccc1 595425429 RVZFXEPWYCVQRC-ZWKOTPCHSA-N 262.356 3.992 30 20 CHED CCN(C(=O)C=C1CCCC1)[C@@H](C)c1ccc(C#N)cc1 917645958 DUOOPPHVNUTRTA-AWEZNQCLSA-N 282.387 3.968 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)co1 844552959 OTQMFCZLGKSAFQ-SREVYHEPSA-N 287.363 3.715 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1cc2cnccc2o1 844594900 WXMBQJRYZYBVEC-HNNXBMFYSA-N 271.364 3.720 30 20 CHED CC1(C)C[C@@H](C(=O)OCC2(C#N)CCC2)c2ccccc2O1 840656051 IWAQTMUMCLYASA-CQSZACIVSA-N 299.370 3.568 30 20 CHED C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)c2ccccc2O1 597212296 TUUFKYUGIDXXRJ-CQSZACIVSA-N 298.386 3.665 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)c2ccc(C#N)cc2)c1O 915112967 LIXCZDGQXLKSPH-RQZLXBNYSA-N 294.354 3.843 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@H]1CCCc1ccccc1 593538237 NEVSRDKHMHWQAQ-DLBZAZTESA-N 284.403 3.550 30 20 CHED COc1ccc(C=NNc2ccccc2Cl)cc1C#N 741756933 KOLKSJLMDLJMQW-UHFFFAOYSA-N 285.734 3.666 30 20 CHED CC(C)c1ccc(C=NOC[C@@H]2C[C@H]3CC[C@H]2O3)cc1 842018017 LPDNPYYMQFBZIC-GVDBMIGSSA-N 273.376 3.728 30 20 CHED C[C@](Cc1ccccc1)(NC(=O)CCCCCC#N)C1CC1 590888653 NUISZPLGKLKUOR-LJQANCHMSA-N 298.430 3.988 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(C3CC3)cc2)C1 597259112 XENHRRILBHCWCU-ACJLOTCBSA-N 282.387 3.766 30 20 CHED C#CC[C@H](OC(=O)c1cc(-c2ccccc2)ns1)C1CC1 747246281 RNNZSXKQRLMLQQ-HNNXBMFYSA-N 297.379 3.769 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1c[nH]c2cc(F)ccc12 749451678 GFJYZQDFRUDFTJ-DAXSKMNVSA-N 281.286 3.909 30 20 CHED C[C@H]1CC(NCc2ccc(N(C)CCC#N)cc2)C[C@H](C)C1 740018490 UXURYSDADSJGIQ-HZPDHXFCSA-N 299.462 3.951 30 20 CHED Cc1ncsc1COc1nc2c(cc1C#N)CCCCC2 918693341 IHCMGFBFPZPWRQ-UHFFFAOYSA-N 299.399 3.566 30 20 CHED C[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)C(C)(C)C 743612361 JFMQZWZADCQCEM-CHWSQXEVSA-N 287.407 3.601 30 20 CHED C=CCOCC(=O)Nc1ccccc1Sc1ccccc1 591120206 VHYYZRWSFBUHAQ-UHFFFAOYSA-N 299.395 3.979 30 20 CHED C=CCCCC(=O)OCc1ccccc1Br 748239117 CVJUVFUQDWSETE-UHFFFAOYSA-N 283.165 3.849 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc2c(s1)CCCCCC2 594097347 JZNBFYZMCLPUEZ-CYBMUJFWSA-N 290.432 3.781 30 20 CHED N#CC1(COC(=O)c2ccsc2C(F)F)CCC1 924251347 QXNKCMCGKPQYJO-UHFFFAOYSA-N 271.288 3.536 30 20 CHED C=CCN(C(=O)COc1cccc2ccccc12)C(C)C 914683201 KTESVFFSUCJCBH-UHFFFAOYSA-N 283.371 3.642 30 20 CHED C=CCNC(=S)Nc1ccc(CCC(C)C)cc1 745036092 SEPYLDYKFOIUAX-UHFFFAOYSA-N 262.422 3.748 30 20 CHED CC(C)Oc1cccc(C/N=C\c2cccc(O)c2O)c1 915980741 BFLFURNJNUXIMZ-WQRHYEAKSA-N 285.343 3.504 30 20 CHED C=CCC(CC=C)C(=O)O[C@H]1CCCc2cccnc21 845648076 BIONVUPJVAYBBU-HNNXBMFYSA-N 271.360 3.771 30 20 CHED CCC(=NOCCOC)c1ccc(Cl)cc1Cl 748789312 MWBRCNKJENNVPC-UHFFFAOYSA-N 276.163 3.771 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 593547221 OTDKBTZOKNPFJU-ZWKOTPCHSA-N 298.430 3.940 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(CCc2ccccc2)[nH]n1 682383351 WTDSIAISTGPGOU-GOSISDBHSA-N 297.402 3.736 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cn2ccccc2n1 743450348 IYSJBFCRILDZJR-CQSZACIVSA-N 272.396 3.617 30 20 CHED CC(=NNc1cncc(Cl)n1)[C@@H](C)c1ccccc1 746368652 HVOHLRLWCLSNJP-SNVBAGLBSA-N 274.755 3.722 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)OCC1(C#N)CC1 753565687 PLZGSINQDUPHAE-ZIAGYGMSSA-N 283.371 3.823 30 20 CHED CCCOc1ccc2[nH]cc(C=NOCC(F)F)c2c1 758909878 FBILQQXVMGFBFL-UHFFFAOYSA-N 282.290 3.572 30 20 CHED C(=NNc1ncnc2sccc12)[C@@H]1C[C@@H]1c1ccccc1 755588486 BZVXKELXSWBYNO-GXTWGEPZSA-N 294.383 3.893 30 20 CHED N#CCc1ccc(C(=O)OC/C=C\c2ccccc2)cc1 758681183 ZNUDBXGZNAEWTB-DAXSKMNVSA-N 277.323 3.623 30 20 CHED C=C(C)COc1cccc(NC(=O)NCCC2CCC2)c1 755810847 VZEYFBORDGZNKD-UHFFFAOYSA-N 288.391 3.953 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 855441012 SOWHPUGCVDTCHX-VIFPVBQESA-N 287.190 3.750 30 20 CHED Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851214490 ZYEDJQDSGGTLRK-KBPBESRZSA-N 289.375 3.634 30 20 CHED C=CCCC(CC)=NNC(=S)Nc1ccccc1F 750919215 XPUBXKCXQHZPJG-UHFFFAOYSA-N 279.384 3.844 30 20 CHED C#CC[C@H](N[C@@H]1CCCc2scnc21)c1ccccc1 858382077 KJKMYVQQKDONFU-LSDHHAIUSA-N 282.412 3.875 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H]1CC(C)C)c1ccccc1 757065539 VJHMKIKXLVHONY-MSOLQXFVSA-N 298.430 3.971 30 20 CHED C[C@@H](Sc1ccc(F)cc1)C(=O)OCCCCC#N 924251248 ZSWJDDHQTHXLMM-LLVKDONJSA-N 281.352 3.543 30 20 CHED N#Cc1ccc(F)cc1COC(=O)C1CCCCCC1 759365738 POCQOLZDKOZQIO-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C=C(C)COC(=O)c1cccc(C(F)(F)F)c1F 750980570 LXTBTVUOVIZJKA-UHFFFAOYSA-N 262.202 3.577 30 20 CHED C#CC[C@@H](/N=C\c1cc(OC)ccc1O)c1ccccc1 756846546 KKXQKFVJHIJZPU-MCRQTXEHSA-N 279.339 3.584 30 20 CHED C=C[C@@H](CC)CC(=O)NC(C)(C)c1cccs1 933035184 KVRAPQWITUMOQV-NSHDSACASA-N 251.395 3.702 30 20 CHED O=C(O)c1cc(NN=C[C@@H]2CC[C@@H]3C[C@H]3C2)ccc1Cl 853258048 JAYDWAWMJCKWET-GMTAPVOTSA-N 292.766 3.872 30 20 CHED N#Cc1ccsc1NC(=O)N1CCCC2(CCCC2)C1 931841049 XTBUBQXKXCLFDP-UHFFFAOYSA-N 289.404 3.808 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccccc1C 44766683 NBBCZNQRBHQAFT-CYBMUJFWSA-N 258.365 3.502 30 20 CHED Cc1ccnc(NN=Cc2ccc(Cl)c(F)c2)c1 755900742 OUIZWABBGAIQOL-UHFFFAOYSA-N 263.703 3.629 30 20 CHED COc1ccc(NN=C(C)c2cc([N+](=O)[O-])ccc2C)cc1 750923209 VMAHUQHBUSNGAK-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C#CCN(C(=O)c1oc2ccccc2c1CSC)C1CC1 763801110 GGOOQEYGHSPWTG-UHFFFAOYSA-N 299.395 3.534 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1sccc1C#N 931838022 SKJLYKGMZHVCFW-JTQLQIEISA-N 265.382 3.662 30 20 CHED CC#CCCOC(=O)[C@@H](Oc1ccccc1)c1ccccc1 760289211 JQUAEVNFEQLGDR-SFHVURJKSA-N 294.350 3.763 30 20 CHED CCC(=NNc1ncc(F)cn1)c1c(F)cccc1Cl 760253277 AZWWXYXNBMMRID-UHFFFAOYSA-N 296.708 3.634 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2ccc(C)c(F)c2)cc1 767730546 QJQAPWCYBOBFNX-BJMVGYQFSA-N 298.313 3.817 30 20 CHED COc1cc(OC(=O)c2csc(Cl)c2)ccc1C#N 767153788 HJUYZJQDDYEFGZ-UHFFFAOYSA-N 293.731 3.501 30 20 CHED Cc1cc(O)c(CN2CCCC(C)(C)[C@@H]2C#N)cc1C 766114861 ZAPOUWCRVPZIIZ-INIZCTEOSA-N 272.392 3.523 30 20 CHED C=CCCCCCN(C)Cc1c(CC)nn(C)c1Cl 769445073 DJTUREIRKFBNEO-UHFFFAOYSA-N 283.847 3.814 30 20 CHED C#CCCc1noc(-c2ccc(N(CC)CCC)cc2)n1 762008084 YMGURJPHZGFPPA-UHFFFAOYSA-N 283.375 3.539 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C(F)F)cc1 933096433 LZNANLURJXTWMS-UHFFFAOYSA-N 254.280 3.712 30 20 CHED C=CCC[C@H](CC)NC[C@@](C)(O)c1cccc(Cl)c1 765684667 RWMWQZFHZHKMMG-JKSUJKDBSA-N 281.827 3.882 30 20 CHED CC(C)Oc1ccc(N[C@@H](C)C[C@@H]2CCOC2)cc1C#N 768518845 JIBSWXWITVBMDV-KBPBESRZSA-N 288.391 3.572 30 20 CHED Cc1nc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2s1 762946692 UMARKORCPNVDOO-UHFFFAOYSA-N 294.335 3.696 30 20 CHED O=C1/C(=C/c2cc(F)c(F)cc2F)Oc2ccccc21 767729071 JZYXUDRHBLJKEO-NSIKDUERSA-N 276.213 3.720 30 20 CHED Cc1occc1CN(C)c1cccc(Cl)c1C#N 48755795 PAMZHZSSQQCNIS-UHFFFAOYSA-N 260.724 3.750 30 20 CHED CCOc1ccc(CN(CCC#N)CC(C)(C)C)c(O)c1 769333962 ANFYOGIDARNXTD-UHFFFAOYSA-N 290.407 3.553 30 20 CHED CC(C)c1cccc2c1OCCCC2=NNc1ncccn1 768481513 BVFJREHJXKEGQC-UHFFFAOYSA-N 296.374 3.589 30 20 CHED C[C@H]1CCC(=NNCCc2ccccc2F)C[C@H]1C 767388006 PQCQORBYNGLRHS-QWHCGFSZSA-N 262.372 3.770 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2cc(C)ccc2C)c1 774116777 TWXNPVQEULTYBG-VOTSOKGWSA-N 284.311 3.579 30 20 CHED N#C[C@@H](OC(=O)CCCC(F)(F)F)C1CCCCC1 776400380 WDNRYMUIQDRDTR-LLVKDONJSA-N 277.286 3.735 30 20 CHED Cc1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)c1C#N 772294755 DQRJQUDKEWFYHP-CYBMUJFWSA-N 280.375 3.501 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H]1CCCC(C)(C)C1 775940194 DHWDPRWULICLCN-AWEZNQCLSA-N 285.387 3.854 30 20 CHED C#Cc1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)cc1 877847176 QTNHTSMVOMJUSH-MRXNPFEDSA-N 296.757 3.518 30 20 CHED CCCCCCCCN1CCC[C@@H](c2nccn2C)C1 770025058 CPWVYPMWYOESTD-MRXNPFEDSA-N 277.456 3.960 30 20 CHED CON=Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1 875105991 AHJLNTPQXUPYBP-UHFFFAOYSA-N 290.407 3.612 30 20 CHED C#CCCCCCC(=O)N1Cc2ccccc2[C@@H](C)C1 779744627 YPVQOZRLKLNULO-HNNXBMFYSA-N 269.388 3.716 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cnccc2C)cc1 771390925 YWTXSBGYLFOTPT-CVEARBPZSA-N 294.398 3.814 30 20 CHED C[C@@H](CCC#N)CNc1ccc(OC[C@H]2CCCO2)cc1 876826750 HQRDZYXVWPFPIL-WMLDXEAASA-N 288.391 3.596 30 20 CHED C=CCN(Cc1sc(N2CCCCC2)nc1C)C1CC1 1116569987 FSDSKXXEHPKYRV-UHFFFAOYSA-N 291.464 3.592 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)CSc1ccc(C)cc1 770414560 IONUZXKXFXRBAG-GFCCVEGCSA-N 298.839 3.527 30 20 CHED CC1(C)CCC[C@H]1C(=O)OCc1cc(F)ccc1C#N 772618700 VRBLYQGYXRDHJD-AWEZNQCLSA-N 275.323 3.567 30 20 CHED C#CCCCCC(=O)O[C@@H]1COc2cc(Cl)ccc21 774533264 PMQCROYEXCFBFX-CQSZACIVSA-N 278.735 3.510 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/C=C/c1ccc(F)cc1 773160036 KVLCLMYWNSFDAP-CRAVZTJYSA-N 290.297 3.746 30 20 CHED C=CCCOC(=O)[C@H](C)CSCc1ccccc1 772972756 WWTIQGPRQAVCMB-CYBMUJFWSA-N 264.390 3.675 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OC(F)F)c(Cl)c1 879410768 BBUOXQMAGJVONI-UHFFFAOYSA-N 289.709 3.590 30 20 CHED C=C(C)CCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 775601509 CRDFTYFOLOOWCU-BFYDXBDKSA-N 259.393 3.803 30 20 CHED C[C@H]1CC(C)(C)C[C@H]1Nc1ccc(F)cc1OCC#N 775054933 BOCRFWXKSZUAAU-SMDDNHRTSA-N 276.355 3.965 30 20 CHED CCCCC[C@H](CC)C(=O)N(CCC#N)CC(C)C 775675969 HUXWWWGPYZHWPY-HNNXBMFYSA-N 266.429 3.991 30 20 CHED CCCCC[C@H](CC)C(=O)Nc1ccc(C#N)c(C#N)c1 776209717 SHXGUECFTOYGGI-ZDUSSCGKSA-N 283.375 3.975 30 20 CHED CSC1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCCC1 886740790 IYCLQKAUCYXPST-ZIAGYGMSSA-N 266.454 3.724 30 20 CHED C=CC(C)(C)CC(=O)OCCc1noc2ccccc12 884648757 HGKDNRKYIMVKIH-UHFFFAOYSA-N 273.332 3.516 30 20 CHED C(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1cnc(-c2ccco2)s1 782267978 UFXQWTVLADXFIX-GVXVVHGQSA-N 287.388 3.515 30 20 CHED Cc1cc(C(=O)/C=C\c2c(C)oc3ccccc23)n(C)n1 789156536 OZUUKVSAXFROEA-HJWRWDBZSA-N 280.327 3.679 30 20 CHED CC(C)(C#N)CC(=O)Oc1ccccc1Oc1ccccn1 783061613 MHZYAGZBJQMLEC-UHFFFAOYSA-N 296.326 3.719 30 20 CHED CCc1ccccc1CC(=O)O[C@H](C#N)C1CCCCC1 785829973 OOSCIOWOFWNQBZ-QGZVFWFLSA-N 285.387 3.807 30 20 CHED CC(CC(C)(C)c1ccccc1)=NOC[C@H]1CCOC1 788031126 SKEXVUHREXPOCB-HNNXBMFYSA-N 275.392 3.783 30 20 CHED CCC(=NNc1ncncc1Cl)C1CCCCC1 780281688 QFGYOPHZJFLBJN-UHFFFAOYSA-N 266.776 3.888 30 20 CHED Clc1ccc2c(c1)CCC2=NNc1ncncc1Cl 780275658 SLALFZCJETVLEP-UHFFFAOYSA-N 293.157 3.546 30 20 CHED CCN(C(=O)CCCc1ccsc1)c1ccc(C#N)cc1 783489243 BGJZWWTVRMALMN-UHFFFAOYSA-N 298.411 3.996 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 787497084 FRLKPNKIQRSPSQ-LBPRGKRZSA-N 289.341 3.760 30 20 CHED C/C(=C/C(=O)OCc1ccc(Cl)cc1C#N)C1CC1 780039026 VXKPXALXYVKBPE-POHAHGRESA-N 275.735 3.611 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1ccc(F)cc1F 782450127 TWPCGVGPQUDYMX-BZNIZROVSA-N 298.329 3.798 30 20 CHED C=CCCCCCC(C)=NNC(=S)NCC(F)(F)F 789000457 MDRYHRXTZHQULL-UHFFFAOYSA-N 295.374 3.525 30 20 CHED C=C1CN(C(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)C1 898698698 PJKMSFZKIODZBC-UHFFFAOYSA-N 292.382 3.741 30 20 CHED CCc1ccccc1NC(=S)N1CCC(CC#N)CC1 781545549 VSCQVUVIDKWBMX-UHFFFAOYSA-N 287.432 3.571 30 20 CHED CC(C)CC[S@](=O)CCCCC1(C#N)CCC1 899279339 OCNKHUCOXCTGKA-QGZVFWFLSA-N 255.427 3.645 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccco2)cc1OCC 83201382 ILIOXRZLUYXROS-VQHVLOKHSA-N 286.327 3.973 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2ccncc2CC)CC1 897305490 ZDIOVVYABIBROG-ZDUSSCGKSA-N 272.392 3.568 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1ccc(C(=O)O)cc1 797785212 WXFSQVVZYRVZRH-UHFFFAOYSA-N 298.367 3.615 30 20 CHED CSCCON=Cc1cc2cc(C)c(C)cc2o1 794576374 GGXTTZUSERCZQT-UHFFFAOYSA-N 263.362 3.763 30 20 CHED CCCCCCCCNC1CCC(C(=O)O)CC1 102968106 HHMCWBMJEHDZCU-UHFFFAOYSA-N 255.402 3.580 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1sccc1C 790311248 YCRWMEHDEYLXSZ-UHFFFAOYSA-N 293.323 3.940 30 20 CHED C#CC[C@H](NCCCc1ccc(C)nc1)c1ccccc1 793024418 ALYMLPKHQBOLDI-IBGZPJMESA-N 278.399 3.677 30 20 CHED CC[C@H](C)CC[C@@H](O)CC(=O)O[C@H](C#N)C1CCCCC1 796348111 FPXYQVYKNSKNCU-NUEKZKHPSA-N 295.423 3.579 30 20 CHED C[C@@H](CC#N)N[C@@H](C)c1cc(Cl)ccc1Cl 187588136 UOISECMVZGPXIU-IUCAKERBSA-N 257.164 3.946 30 20 CHED CC1(C)CCCC1=NNc1cccc(F)c1[N+](=O)[O-] 790310690 KYGBCESQSLKHGV-UHFFFAOYSA-N 265.288 3.712 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1cnccn1 790201752 KQLPBUXAHXFNMR-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CC(=NNc1ncccc1F)c1cnc2ccsc2c1 794984981 QSMSFGKKGDQIFD-UHFFFAOYSA-N 286.335 3.667 30 20 CHED COc1cc(C#N)ccc1OCCSC/C(C)=C/Cl 797810784 XFOLFLRHCIBUKD-DHZHZOJOSA-N 297.807 3.821 30 20 CHED N#Cc1ccc(F)c(CNc2cc(Cl)ccc2C#N)c1 77490134 ZBFWGQPSDYURNX-UHFFFAOYSA-N 285.709 3.835 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccccn2)cc1Cl 558954387 SJDIJCKZIOZOSJ-INIZCTEOSA-N 283.762 3.948 30 20 CHED CC[C@@H](C)NN=C1C[C@H](C)Sc2sccc21 790181400 DMRVXJCQGPBQQH-BDAKNGLRSA-N 254.424 3.725 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1ccc3ccccc3c1)C2=O 794965347 QYTAYPTVNGRXLT-LFIBNONCSA-N 288.350 3.786 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1ncc[nH]1 790157995 QPPHQQAQCSBVGC-LBPRGKRZSA-N 270.380 3.608 30 20 CHED C#CCOc1ccc(NC(=O)CCC2CCCC2)cc1 730982631 KFVGFTIQBBSVLB-UHFFFAOYSA-N 271.360 3.608 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)CCCCCC 798048977 APOGOWAGCZVTBN-OAGGEKHMSA-N 296.455 3.626 30 20 CHED CCOc1ccc(N[C@H](C)CC(C)(C)C#N)cc1F 695836863 OHSGFDOCPXIRFI-LLVKDONJSA-N 264.344 3.965 30 20 CHED CC[C@H](C)C[C@H](C)Nc1ccc(Cl)c(C#N)n1 1157883258 XUIKRNSOVZNTEC-UWVGGRQHSA-N 251.761 3.843 30 20 CHED COc1ccc2c(c1)CN(CCC1(C#N)CCCCC1)CC2 1167274134 YZNXQNQAURQDIW-UHFFFAOYSA-N 298.430 3.917 30 20 CHED COC(=O)c1cc(C)cc(N[C@H](C)CC(C)(C)C#N)c1 1308959544 RDTANIOKGPDGMQ-GFCCVEGCSA-N 274.364 3.522 30 20 CHED C=CCCOCC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1319543623 UZOVVXZMPVMWFG-PKOBYXMFSA-N 299.414 3.507 30 20 CHED CCC1(CC)[C@@H](Nc2ccc(OCC#N)cc2)C[C@@H]1OC 1319863075 IFRDJFQPLVPDAM-HOTGVXAUSA-N 288.391 3.595 30 20 CHED CC(C)(C)c1ccc(NN=Cc2c[nH]c3ccccc23)nn1 1328716113 PODVBMCMWWJHIP-UHFFFAOYSA-N 293.374 3.701 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1nc(-c2ccccc2)cs1 1320306184 NIHQMGHDLUBDDH-JSGCOSHPSA-N 288.416 3.662 30 20 CHED Cc1ccnc(CSCc2ccc(C#N)cc2)c1 1324512904 MRNBNGQJHFDYKG-UHFFFAOYSA-N 254.358 3.695 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc2cc(OC)ccc2c1 1321242146 UTYLGPKUKAWWFJ-CXAGYDPISA-N 285.387 3.700 30 20 CHED CC#CCCNC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 1320433347 UROWZBFBZQSXEO-IEBWSBKVSA-N 296.414 3.511 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNCc1cccc(C#N)n1 1182370841 WQSOIZOVYBPUPE-HUUCEWRRSA-N 271.408 3.649 30 20 CHED CC(=O)c1ccc(C#N)cc1NCC(C)(C)C1=CCOCC1 1338299588 UJIWHDRCSWLWJS-UHFFFAOYSA-N 298.386 3.546 30 20 CHED C=C(C)CCC(=O)NCc1ccc(OC(F)(F)F)cc1 1336894408 PMQGMDBETGBRJL-UHFFFAOYSA-N 287.281 3.558 30 20 CHED N#Cc1ccccc1N(C(=O)[C@@H]1CC=CCC1)C1CCC1 1334262327 UMQAJFGYWNCSFR-CQSZACIVSA-N 280.371 3.800 30 20 CHED C#CC[C@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 1263378138 WTCPSODPKMTRRG-AWEZNQCLSA-N 289.334 3.794 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1ccc(C#N)s1 1266691081 HEUZKBJPYVCOAT-CYBMUJFWSA-N 276.405 3.661 30 20 CHED C=C(CC)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 1263773287 PKYSCIASMVVNGE-ZDUSSCGKSA-N 279.767 3.636 30 20 CHED CC(C)(C)c1nc(CNc2ccc(C#N)cc2)cs1 101539938 SZANALUFDYTFOC-UHFFFAOYSA-N 271.389 3.924 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1c(F)cccc1F 1345107118 BYLPMFNMPMSTDB-LLVKDONJSA-N 280.318 3.927 30 20 CHED CCO[C@@H]1CCCC[C@H]1NC1CC(C#N)(c2ccccc2)C1 1344429957 OYWGOICYZCEYCW-QGLXBCBXSA-N 298.430 3.548 30 20 CHED CC[C@@H](CC(=O)O[C@@H](CC#N)c1ccco1)C(C)C 1350311420 KTOAPZJGGVXADL-JSGCOSHPSA-N 263.337 3.850 30 20 CHED CCC[C@H](CC)C(=O)Nc1cc(C#N)ccc1OCC 1355574485 MHGJYRVCADIKLO-ZDUSSCGKSA-N 274.364 3.722 30 20 CHED CC(C)c1ncsc1NC(=O)[C@H](CC#N)c1ccccc1 1272903201 OVKRNAZHPJMELV-CYBMUJFWSA-N 299.399 3.902 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C 1359141548 KLWDCRNEORERIY-AAEUAGOBSA-N 296.846 3.779 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@H]1c1ccc(F)cc1F 1458514344 MATCJTWWCFURDZ-MEDUHNTESA-N 288.272 3.944 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1cc(C#N)cs1 1533147981 LLTRLUBDFOBAOD-GFCCVEGCSA-N 278.421 3.956 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1cc(C(=O)O)co1)C2=O 1607864667 JLKFYOURZZFMFD-QOUOVQQFSA-N 282.295 3.670 30 20 CHED N#Cc1ccc(N(C(=O)c2cccc(F)c2)C2CCC2)cc1 1533786113 AIOFEQOAIISOBH-UHFFFAOYSA-N 294.329 3.897 30 20 CHED COc1ccccc1[C@@H](CC(C)C)N=c1cc[nH]c(C#N)c1 1472721760 RPUXEBWXVJQURR-QGZVFWFLSA-N 295.386 3.583 30 20 CHED N#Cc1ccc(SCCc2c(F)cccc2F)nc1 1613467182 PCJBQIDOKLWCJC-UHFFFAOYSA-N 276.311 3.566 30 20 CHED Cc1cc(=N[C@@H](C)Cc2ccc(C(C)C)cc2)c(C#N)c[nH]1 1472732560 PKQXVCVOOVFKNY-HNNXBMFYSA-N 293.414 3.850 30 20 CHED Cc1cc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)ncc1C#N 1472696406 MOQSHAHKLZUEPH-VNHYZAJKSA-N 255.365 3.642 30 20 CHED CC[C@H](Nc1snc(Cl)c1C#N)[C@@H]1CC1(C)C 1472809216 MAWLHHASWJDJJN-IUCAKERBSA-N 269.801 3.905 30 20 CHED C[C@@H](NCc1cc2cnccc2o1)c1ccc(C#N)cc1 1620751932 LNHXFRHKRLUAIV-GFCCVEGCSA-N 277.327 3.550 30 20 CHED CCC[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C(C)(C)C 1627845379 YCSKUAZVSFHDFW-CQSZACIVSA-N 294.345 3.781 30 20 CHED Cc1ccc(Cl)cc1C(=O)N(C)c1cccc(C#N)c1 119756726 KXSARJPWVCHVRP-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1cc(C)sc1C 119577265 OODITUNTRYUQPF-LBPRGKRZSA-N 263.406 3.736 30 20 CHED CCOc1ccc(Cl)cc1CN(CC)C[C@@H](C)C#N 1560694280 YFICJGBFVQRYSO-LBPRGKRZSA-N 280.799 3.720 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1 1635139763 YJBANGZGPINOQB-FXXCCUJSSA-N 283.415 3.897 30 20 CHED Cc1ccc(O)cc1NC(=O)c1cccc(SCC#N)c1 1632090950 IGJJNPISOWZQKO-UHFFFAOYSA-N 298.367 3.569 30 20 CHED CCS[C@H]1CCCC[C@H]1Nc1cc(C)c(C#N)cn1 1651605094 DCKYRNURESNVEZ-KGLIPLIRSA-N 275.421 3.738 30 20 CHED N#Cc1nc(Oc2cncc(Cl)c2)sc1Cl 1651544820 QHYNLTRBYVQWHK-UHFFFAOYSA-N 272.116 3.509 30 20 CHED CCc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1 1584674521 LKFRKSHTIDWOHB-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(C#N)cc1 229679356 IOCKEOSGPLMBRE-ZDUSSCGKSA-N 255.365 3.539 30 20 CHED C=CC[C@@H](S[C@@H](C)c1ccc(F)cc1)C(=O)O 1588759279 RKGUEHGWBFGBAS-JOYOIKCWSA-N 254.326 3.649 30 20 CHED CC1(C)C[C@@]1(C)NCc1cc(C#N)ccc1Br 1651358827 UVWCFCQLXSOSJQ-CQSZACIVSA-N 293.208 3.599 30 20 CHED Cc1c(NC(=O)c2cc(C#N)ccc2F)ccc(F)c1F 1584881415 PYLCIWPUXQFHPJ-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)s1 230635903 ICAYTBMNYBLFRC-NSHDSACASA-N 274.364 3.918 30 20 CHED C[C@]1(CN2CCC[C@H](CC#N)C2)C[C@@H]1c1ccccc1 1665228877 IUXTVTLLAQJTDA-KBAYOESNSA-N 268.404 3.806 30 20 CHED Cc1cc2c(s1)C/C(=C/c1cc(C(=O)O)cs1)C2=O 1777428108 QFFIQPIOIATEQD-BAQGIRSFSA-N 290.365 3.639 30 20 CHED CC(C)(C)c1ccc(C=NNc2ccc(C(=O)O)nc2)cc1 1776068924 GWTIILUXPIQTRG-UHFFFAOYSA-N 297.358 3.523 30 20 CHED CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc21 164990677 XHLBEDWDIQSVON-SOFGYWHQSA-N 297.379 3.874 30 20 CHED C=CC[C@H](C)[C@@H](C)NCCc1c[nH]c2ccccc12 151313287 RPDYNGAUZUBHJQ-UONOGXRCSA-N 256.393 3.901 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)CCC=C(C)C)CC1 152973961 YKECMEJHAXGDKC-INIZCTEOSA-N 264.457 3.751 30 20 CHED CCCCCCCC(=O)N1CC[C@H](OCC(C)C)C1 153997267 XPECHAMSSSXXSW-HNNXBMFYSA-N 269.429 3.620 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 156816773 OJSUAJVHXBDDQV-UHFFFAOYSA-N 290.363 3.722 30 20 CHED CC#CCCSCc1csc([C@@H](C)OCC)n1 154944077 UUUVFOPAGDEYNI-LLVKDONJSA-N 269.435 3.887 30 20 CHED Cc1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1F 159920979 XYECOWZCEVWPFG-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc3c2OCO3)s1 208115252 NYMZXEZKPOHLOF-VURMDHGXSA-N 286.352 3.935 30 20 CHED N#Cc1sc(N2CC[C@H]2c2ccccc2)nc1Cl 804358901 WWMXOJNDVYLHPN-JTQLQIEISA-N 275.764 3.620 30 20 CHED N#Cc1ccc2c(c1)N(CCSC1CCCCC1)CC2 1307652210 QHQPZZIZVWSGHA-UHFFFAOYSA-N 286.444 3.987 30 20 CHED Cc1cccc(C[S@@](=O)CCCCC(C)(C)C#N)c1 235786921 OIRDPEPCVUTTTD-IBGZPJMESA-N 277.433 3.964 30 20 CHED COc1ccc([C@H](C)Nc2cccc(C#N)c2)c(F)c1 37203206 JSIDLJWSGCPHCG-NSHDSACASA-N 270.307 3.879 30 20 CHED C=CCCC(C)(C)NCc1cc(OC)ccc1OC 657805935 XUOKZTWTGKEDBX-UHFFFAOYSA-N 263.381 3.538 30 20 CHED CC(C)OCCCNc1ccc(Br)cc1C#N 302199247 UMTQSUFFRUNVOU-UHFFFAOYSA-N 297.196 3.548 30 20 CHED N#Cc1c(Cl)cccc1N1CCC(C(F)F)CC1 307887606 WUXCCKOBGKRZBA-UHFFFAOYSA-N 270.710 3.693 30 20 CHED C[C@@H]1CCCC[C@]1(C)NCc1ccc(F)c(C#N)c1 308715104 ONZVVXJTTJTUSB-WBMJQRKESA-N 260.356 3.756 30 20 CHED CCCC(CCC)C(=O)NCc1ccc(C#N)c(F)c1 404573850 MIIVKEONTLNHSX-UHFFFAOYSA-N 276.355 3.530 30 20 CHED CCC(C)(C)C(=O)Nc1ccc(Br)c(C#N)c1 410992636 XILZZFRADYABCB-UHFFFAOYSA-N 295.180 3.695 30 20 CHED N#Cc1cnc(N[C@@H](C2CCC2)C2CC2)c(Cl)c1 413361464 OISOWHDZBQSPFX-ZDUSSCGKSA-N 261.756 3.597 30 20 CHED Cc1cc(CN(C)Cc2cccc(C#N)c2)cc(Cl)n1 320362485 BMZRSGIIQUXVBS-UHFFFAOYSA-N 285.778 3.547 30 20 CHED C=C(CNCc1cnc(C(F)(F)F)s1)c1ccccc1 443962722 JPHGBLBPNRANFK-UHFFFAOYSA-N 298.333 3.965 30 20 CHED C#C[C@@H](NC(=O)c1oc2ccc(Cl)cc2c1C)C(C)C 704349798 HPHYNQOXYZBMSC-CYBMUJFWSA-N 289.762 3.782 30 20 CHED C[C@]1(F)CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 361703881 AWFKWBHESBZYRD-LBPRGKRZSA-N 272.245 3.515 30 20 CHED CSCC1CCC(Nc2cccc(C#N)c2)CC1 385486913 OQYFUOAEPUOKTR-UHFFFAOYSA-N 260.406 3.892 30 20 CHED CCC(CC)(CC)CNCc1ccc(C#N)s1 391206646 QHDRTNCXECVJPU-UHFFFAOYSA-N 250.411 3.926 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(Cl)cc2F)C1 397680761 INAUJPNFNSEHJR-LLVKDONJSA-N 266.747 3.605 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N(CCC#N)C(C)(C)CC 410722984 DOZWARNWDITZRP-LLVKDONJSA-N 292.345 3.896 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccsc1 50338779 VQOZRNZNXOMIMH-LLVKDONJSA-N 258.346 3.824 30 20 CHED CSc1ccc(C(=O)Nc2cccc(OCC#N)c2)cc1 106878827 MHYSIBPCKGYQER-UHFFFAOYSA-N 298.367 3.563 30 20 CHED CC[C@@H](CC(=O)Oc1ccc(C#N)cc1OC)C(C)C 104216437 SQTIZPXVTSXDKE-ZDUSSCGKSA-N 275.348 3.545 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC2(CCCCC2)CC1 102302264 VLVJEYQREGBVCL-OAHLLOKOSA-N 279.424 3.541 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 110367299 ZVBUOHVHKZKQNY-HUUCEWRRSA-N 289.806 3.868 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc(Cl)nc1 179411144 QTGBWLSWPQPDDJ-SOFGYWHQSA-N 273.719 3.640 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](C)c1ccccc1C 115985221 UPAOHUOGJXVDTM-OAHLLOKOSA-N 259.393 3.913 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1cncc(F)c1 172375975 WUGBAMWNWUXXDJ-SNAWJCMRSA-N 293.244 3.718 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 119878492 FXABEQHMZYUXCV-DLBZAZTESA-N 283.415 3.893 30 20 CHED C=CC1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 119680982 MALPGCIUSIBNLH-UHFFFAOYSA-N 286.350 3.879 30 20 CHED N#Cc1c(F)cccc1NCc1cccc(OC(F)F)c1 301131554 ZFPXOFHOKODEEP-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=C(C)CN(CC)CC(=O)N[C@@H](CCC)c1ccccc1 61758765 AVDVSOIIMWXDOJ-KRWDZBQOSA-N 288.435 3.542 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCc1ccoc1 177069758 NLULELNBCCTGOF-UHFFFAOYSA-N 286.327 3.555 30 20 CHED N#Cc1cccc(Sc2ccc(F)cc2[N+](=O)[O-])c1 301649679 RKECWJIHIUBDNK-UHFFFAOYSA-N 274.276 3.757 30 20 CHED COc1ccc([C@H](C)N(C)c2cccc(F)c2C#N)cc1 301250140 IWANMNZXJQJINL-LBPRGKRZSA-N 284.334 3.903 30 20 CHED Cc1cccc2c(CCC(=O)O[C@H]3CC[C@H](C#N)C3)c[nH]c12 179872676 XPLQXHQSXLXPLX-ZFWWWQNUSA-N 296.370 3.644 30 20 CHED N#Cc1cccc(N[C@H]2CCC[C@H]2Cc2ccccc2)n1 301385296 VMXMHBLVVAIBHE-RDJZCZTQSA-N 277.371 3.777 30 20 CHED CC(C)(C)Oc1ccc(Nc2cccc(C#N)n2)cc1 301880120 ZRBOORADDSJMQX-UHFFFAOYSA-N 267.332 3.874 30 20 CHED CCCc1nc2ccccc2c(C(=O)O[C@@H](C)C#N)c1CC 28847415 ROUVMQNZXLSDFJ-LBPRGKRZSA-N 296.370 3.819 30 20 CHED C[C@H](c1ccccc1F)N(C)C(=O)c1cc(C#N)cs1 176925455 UUUFKQWMHLFUQD-SNVBAGLBSA-N 288.347 3.592 30 20 CHED CC(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 66801538 YFMBNNOQEJLNQB-NSHDSACASA-N 262.378 3.675 30 20 CHED C=CCCN(C)Cc1cc(-c2ccc(C)cc2)no1 467303848 GWWDIOUIKWDPIZ-UHFFFAOYSA-N 256.349 3.658 30 20 CHED C[C@@H]1CSc2ccccc2N1C(=O)c1ccc(C#N)cc1 176644186 OAAYIUPFXXDTCE-GFCCVEGCSA-N 294.379 3.699 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(Cl)c2cccnc12 116852166 QGGFOYPTNUJQSV-SNVBAGLBSA-N 274.751 3.583 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(NC(=O)CCC)c1 117001839 WKWLYDFKZOWWMH-LBPRGKRZSA-N 289.379 3.511 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 69343657 VAWIYQVKPMDZRX-OLZOCXBDSA-N 295.810 3.841 30 20 CHED CCc1ccc([N+](=O)[O-])cc1NCc1ccccc1C#N 409446969 JIUMHHCBDYNSSC-UHFFFAOYSA-N 281.315 3.641 30 20 CHED COCc1cccc(CNc2c(Cl)cccc2C#N)c1 301386268 XFKYRAJKDSFXIF-UHFFFAOYSA-N 286.762 3.970 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1C[C@H]1c1ccc(F)cc1 302827688 BMLSAILMSVREEN-GOEBONIOSA-N 270.282 3.804 30 20 CHED CC(C)COc1cccc(Nc2ccc(C#N)cn2)c1 301108540 UDMDNOVVFAQLRF-UHFFFAOYSA-N 267.332 3.732 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)CC1 189707284 GGZRIGMDZIHMTA-UKRRQHHQSA-N 285.391 3.843 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1cc(C)ccc1C 189911178 RJFHWKUUMBNMSP-UHFFFAOYSA-N 286.419 3.777 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC[C@@H]1C[C@H]2C=C[C@H]1C2 181131991 VTITYCBOAXHCCV-AJNGGQMLSA-N 268.360 3.602 30 20 CHED C=C(C)CCc1noc(C2(Cc3ccccc3)CC2)n1 508668080 WIVQSFUQUBVBIE-UHFFFAOYSA-N 268.360 3.853 30 20 CHED C=C(C)CCc1noc(/C=C\c2nc3ccccc3o2)n1 508594171 IEXRKUQIIPRIAT-KTKRTIGZSA-N 281.315 3.890 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)n(C2CCCCC2)n1 410143225 PEVQVGWVNGTODK-CQSZACIVSA-N 289.423 3.781 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(C)cc1 210502766 AAOUCIAJNNOCQT-QXMHVHEDSA-N 252.313 3.900 30 20 CHED CCC(=O)c1ccc(OCc2cc(F)ccc2C#N)cc1 121825067 ZHIXILUWQUZZAM-UHFFFAOYSA-N 283.302 3.869 30 20 CHED Cc1ccc(NC(=O)c2ccc(C#N)cc2)c2cccnc12 31092031 NMLLWKHLHDHAFK-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=C(C)CN(C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 181292503 MGLMAAVJJUGNHU-NSHDSACASA-N 291.782 3.959 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(-c2ccc(F)cc2)on1 410122165 YJWVAZTYVXQQKE-ZDUSSCGKSA-N 288.322 3.565 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)CC 39767879 LSJKWOUTABPQAX-CYBMUJFWSA-N 287.432 3.946 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1CC(C)(C)C1 412840695 NWXWTNORDJKHBL-INIZCTEOSA-N 271.404 3.726 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccccc1SC(C)C 183807150 FWWDEPMJRFOTOS-GFCCVEGCSA-N 276.405 3.609 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1C 126958770 VVPAAFZUPIJLMS-NSHDSACASA-N 292.795 3.530 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@@H](C)c1cccc(C)c1 120988149 SKNFHTFSWUGRQO-OAHLLOKOSA-N 274.408 3.706 30 20 CHED N#CCSCCCN(Cc1ccc(F)cc1)CC1CC1 74991034 NTMCHMPPJSPTJO-UHFFFAOYSA-N 292.423 3.685 30 20 CHED Cc1ccc(C)c(OCCN(CCC#N)Cc2ccco2)c1 78666599 LYCPATPZUQVRSD-UHFFFAOYSA-N 298.386 3.691 30 20 CHED C=CCCSCC(=O)N1CCc2sccc2[C@@H]1CC 182769257 OEHVOIZPDKZTNW-ZDUSSCGKSA-N 295.473 3.893 30 20 CHED CN(C(=O)/C=C\c1ccc(Cl)cc1)c1cccc(C#N)c1 214072943 WYXOMLBVVBQIGX-YFHOEESVSA-N 296.757 3.888 30 20 CHED CC[C@@H](C#N)NC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 121406740 CEDWCJUKGKKGPR-HRCADAONSA-N 294.439 3.560 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1C[C@H](C)C[C@@H](C)C1 504578454 QMICGQSZOLROLW-HUUCEWRRSA-N 289.419 3.909 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCC[C@H]1c1ccccc1 410877329 POHQJKUAFDETTD-XHSDSOJGSA-N 284.403 3.625 30 20 CHED CC(C)Oc1ccc(CN(C)[C@H](C)CC#N)cc1Cl 187941206 QFWZEFMUBAKNFT-GFCCVEGCSA-N 280.799 3.861 30 20 CHED C[C@H]1CN(CCCSCC#N)c2cc(Cl)ccc2O1 74991851 AWVPLZFXELKKBV-NSHDSACASA-N 296.823 3.574 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc(Br)cc2)C1 185799779 LOBDTWMQQPJCTK-GXTWGEPZSA-N 293.208 3.621 30 20 CHED Cc1c(CN[C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] 318283048 MSXJSKOFNSVIRY-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED C[C@@H](NC(=O)c1ccc(Cl)s1)c1cccc(C#N)c1 75269099 DZQNYROMJXGBDR-SECBINFHSA-N 290.775 3.764 30 20 CHED C[C@H]1C[C@]1(NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 500393360 BCXUWCIVFQLGCF-YVEFUNNKSA-N 299.805 3.575 30 20 CHED CCN(C(=O)[C@H]1C[C@]1(C)C(C)C)c1ccc(C#N)cc1 186750381 DHIVPAGQLJDQJR-NVXWUHKLSA-N 270.376 3.593 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc2n(n1)CCC2 414304769 QWLFHWMTBFXNFI-RDJZCZTQSA-N 295.430 3.667 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(C#N)c1 43330054 ZHWJFCRKQCVMHT-CQSZACIVSA-N 293.370 3.701 30 20 CHED C=CC[C@H](Cc1ccccc1)NC[C@@H]1CCSC1 414541836 WXJCRFRYESQXSQ-JKSUJKDBSA-N 261.434 3.517 30 20 CHED C[C@@H]1CCCCN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419615916 RLJJZSMISVNNCF-DYVFJYSZSA-N 297.402 3.520 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1ccc(F)c(F)c1 45513857 XPVKVDVPFFJRGL-UHFFFAOYSA-N 286.281 3.503 30 20 CHED CSCC[C@@H](C)N(C)CCC1(C#N)CCCCC1 411372761 FRZRTYFZZNROLN-CQSZACIVSA-N 268.470 3.924 30 20 CHED O/C(=N/Cc1ccncn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329204886 XSUKFRUVRUYZTH-BFHYXJOUSA-N 273.380 3.540 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccnc2)cc1Cl 194154136 MFOKKPIGQZBMCE-VOTSOKGWSA-N 257.720 3.940 30 20 CHED CCN(Cc1ccc(Cl)s1)C(=O)[C@@](C)(C#N)CC 285531455 RKQOPFMFEBNPAT-CYBMUJFWSA-N 284.812 3.690 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CCCC[C@H]2C)s1 425451488 MLMSLSWQQOZRCL-MFKMUULPSA-N 276.405 3.947 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC(C)(C)CC(C)=O 191695771 QVBQXRCIBVCHCX-UHFFFAOYSA-N 293.432 3.658 30 20 CHED COc1ccc(C#N)cc1NCc1cscc1Cl 611530387 TYZWPINPHLPAKA-UHFFFAOYSA-N 278.764 3.894 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2)C1 424187230 ANNIRTIZRZIRSE-TVQRCGJNSA-N 269.175 3.775 30 20 CHED CCN(C(=O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 45498975 WXYAFVNPXNFPJT-AWEZNQCLSA-N 278.355 3.782 30 20 CHED CSCc1ccc(NC(=O)C#Cc2ccccc2)cc1 81655538 OXUZMHSDTOAENK-UHFFFAOYSA-N 281.380 3.540 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C 82609896 HSAYXDOYEUMTLZ-UHFFFAOYSA-N 274.364 3.705 30 20 CHED C=CCNC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 42925215 AAHWRJGFDFAOEW-SFHVURJKSA-N 292.382 3.530 30 20 CHED N#Cc1cccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 89269046 NVDGAMHXYJXTRH-GOEBONIOSA-N 299.761 3.549 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)s1 336585126 FQSJPISYRQBJLL-NSHDSACASA-N 282.368 3.601 30 20 CHED C=C(C)CN(CCc1ccccc1)Cc1cccnc1 191345035 WZGIHELDUSUIGX-UHFFFAOYSA-N 266.388 3.702 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CN(CCC#N)Cc1cccnc1 191038884 DYDJHOWAHTUCMA-AEFFLSMTSA-N 283.419 3.790 30 20 CHED Cc1cscc1C(=O)Nc1scc(C)c1C#N 335656861 AKDSZKDNTNOANK-UHFFFAOYSA-N 262.359 3.550 30 20 CHED CC[C@@H]1OCCC[C@H]1C(O)=Nc1cnc2c(c1)CCCC2 330303856 KBFFDWWZJGULJA-ZBFHGGJFSA-N 288.391 3.754 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(F)c2ccccc12 233464597 FDSLATRMIRLIPJ-GFCCVEGCSA-N 284.334 3.601 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(C)s2)c1 97993074 GFKLLVOSSBALBY-HJWRWDBZSA-N 285.368 3.911 30 20 CHED C=CCCS[C@@H](C)C(=O)NCc1ccccc1Cl 339093965 QLPBPINSPXVIMS-NSHDSACASA-N 283.824 3.654 30 20 CHED C[C@]1(CNc2cc(Cl)ccc2C#N)C[C@H]2CC[C@H]1O2 425280162 JRVDWKDYTNJYAX-BPLDGKMQSA-N 276.767 3.581 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)c2ccc(C#N)o2)s1 334722453 PZZKRDHKTLWQTQ-UHFFFAOYSA-N 299.355 3.634 30 20 CHED C=CC1CCN(C(=O)CCc2cc3ccccc3o2)CC1 518909026 HQDOSBQRUOERSF-UHFFFAOYSA-N 283.371 3.790 30 20 CHED Cc1cc(C)c(NC(=O)c2ncc(C#N)cc2Cl)c(C)c1 335697722 JCPUNHANFUVQRY-UHFFFAOYSA-N 299.761 3.784 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1cc2ccccc2s1 430380313 WIVPHGYLOCMMEN-LLVKDONJSA-N 274.389 3.838 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1c(C)coc1C 339827922 CKDIIGJETWXALZ-UHFFFAOYSA-N 283.371 3.767 30 20 CHED N#CCc1ccc(CN2CCc3c(F)ccc(F)c3C2)cc1 343584153 SMFOEFNMMGUNNK-UHFFFAOYSA-N 298.336 3.589 30 20 CHED C[C@@H](c1cccc(Br)c1)N(C)CC(C)(C)C#N 433315619 YMELMGOYLXRJCV-NSHDSACASA-N 295.224 3.992 30 20 CHED C=CC[C@H](C)NC(=O)Cc1ccc(CC(C)C)cc1 522643427 YETANHXBTOWLOR-AWEZNQCLSA-N 259.393 3.508 30 20 CHED N#Cc1cccc(OCCCN2CCCC3(CCC3)C2)c1 348195695 YJQHJMWUJINERE-UHFFFAOYSA-N 284.403 3.593 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)CCc1ccco1 432113438 QCUWYVZMCMGAHK-CYBMUJFWSA-N 278.396 3.502 30 20 CHED C=C(CN[C@@H](C)c1ccncc1F)c1ccccc1 340206457 NMBVYONDEBRXTG-ZDUSSCGKSA-N 256.324 3.585 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)C(F)(F)F 345736306 RENRKVRNFOTFKA-VIFPVBQESA-N 299.296 3.517 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)C1CCC=CCC1 602340622 GZAXDGHOIHJTFT-UHFFFAOYSA-N 280.371 3.584 30 20 CHED C[C@H](CSCc1ccc(C#N)cc1)C(F)(F)F 439033383 KZLKGERELNIDKR-SECBINFHSA-N 259.296 3.990 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cnc(C(F)(F)F)cc1C 602340748 MCPJONGCBDZVQF-UHFFFAOYSA-N 299.296 3.677 30 20 CHED C=CCC(C)(C)c1noc(-c2ccnc(SC)c2)n1 340822501 LQTJAOMBBOGILE-UHFFFAOYSA-N 275.377 3.707 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2cccnc2)cc1 346165665 ILNWLCLLOQPTGS-KRWDZBQOSA-N 295.342 3.752 30 20 CHED COc1ccc(CN(C2CC2)[C@@H](C)C(C)C)cc1C#N 340141578 ARHBLTNRVGAFKB-ZDUSSCGKSA-N 272.392 3.576 30 20 CHED N#Cc1ccc(COc2ccccc2F)c(OC(F)F)c1 439542806 BXVYDCQZIMGHGT-UHFFFAOYSA-N 293.244 3.878 30 20 CHED Cc1ccccc1C1CCN(c2ccnc(C#N)c2)CC1 342222828 ATBKBWZRBUPJOH-UHFFFAOYSA-N 277.371 3.646 30 20 CHED C=CC1CCN(C(=O)c2ccc3cc(C)ccc3n2)CC1 340160020 QZBHMBDMHKSAGF-UHFFFAOYSA-N 280.371 3.581 30 20 CHED N#Cc1cc(C(=O)Nc2ccc3ccoc3c2)ccc1F 341567760 ROIXPMVEYPSYAU-UHFFFAOYSA-N 280.258 3.696 30 20 CHED CC1(Cc2noc(-c3cc(C#N)cs3)n2)CCCC1 347480705 FXPJZLDQMTYCKT-UHFFFAOYSA-N 273.361 3.793 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1c1nc(-c2ccc(C(C)C)nc2)no1 347157374 ZIKNFGZWCBTAMC-HIFRSBDPSA-N 299.374 3.704 30 20 CHED CC1(C)Cc2cc(NC(=O)c3cccc(C#N)c3)ccc2O1 346020559 RAEAWYNKOQPFIN-UHFFFAOYSA-N 292.338 3.524 30 20 CHED CCN(CCC#N)C(=O)c1cc2c(Cl)cccc2s1 609136194 VSTPLRNEWFHNIY-UHFFFAOYSA-N 292.791 3.930 30 20 CHED N#Cc1cc(F)cc(N[C@@H](c2nc[nH]n2)C2CCCCC2)c1 602725214 NHTOZFJKKOFXRI-OAHLLOKOSA-N 299.353 3.549 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc(Cl)nc1 254985793 HICLOMWYCORDJM-XQRVVYSFSA-N 289.766 3.652 30 20 CHED Cc1ccc([C@@H](C)N(C)Cc2cccc(C#N)n2)c(C)c1 602439889 QIFISYGBPUTNDL-OAHLLOKOSA-N 279.387 3.763 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2cc(O)cc(O)c2)c1 255269997 KAJFDDQIABCROH-WAYWQWQTSA-N 268.312 3.611 30 20 CHED Cc1ncsc1/C=C1/CCc2ccccc2C1=O 255324145 AQTVOYAEZWKYBE-WQLSENKSSA-N 255.342 3.664 30 20 CHED C=CCCC1(C(=O)Nc2cc3c[nH]nc3cc2C)CC1 357055939 WFOJUWLGVWFADR-UHFFFAOYSA-N 269.348 3.556 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](CCc2ccccc2)C(F)(F)F)C1 442821702 BYQVFPXMVDHGCP-QLFBSQMISA-N 296.336 3.832 30 20 CHED CSc1cccc(F)c1CNCc1ccc(C#N)cc1 352894840 ADVFLXJOUGITNW-UHFFFAOYSA-N 286.375 3.709 30 20 CHED C[C@H](CC(=O)N1CCCc2cc(C#N)ccc21)c1ccco1 602341204 IWILQFJFTSAOKB-CYBMUJFWSA-N 294.354 3.624 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1cccc(CC#N)c1 603726528 PALKYKNUJZVUCQ-CQSZACIVSA-N 272.392 3.699 30 20 CHED CN(Cc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1F 444717713 SWDWPAIPLCRXFX-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CCC[C@H](C)N(C)C(=O)Nc1ccc(C#N)cc1Cl 269142550 ORHPHCIGBAEUJC-JTQLQIEISA-N 279.771 3.864 30 20 CHED Cc1cc(C)cc(OCCSCC2(C#N)CC2)c1 611439925 CXIWXPOTPUPQKO-UHFFFAOYSA-N 261.390 3.719 30 20 CHED CCC(CC)c1cc(C(=O)N(C)c2ccc(C#N)cc2)on1 440065777 VXPQAKHHAVWEOO-UHFFFAOYSA-N 297.358 3.726 30 20 CHED N#Cc1cc(Cl)c(C(=O)N2CCCCCC2)c(Cl)c1 611093283 UUMAAVJTBQQLOQ-UHFFFAOYSA-N 297.185 3.881 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 449517717 HBERIPRPRXJIIK-MLGHIDQZSA-N 297.851 3.827 30 20 CHED CC1(C)C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C(C)(C)O1 352969148 QFVZRSOWPUXXQT-IRXDYDNUSA-N 298.430 3.871 30 20 CHED C=CCCNC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 628058767 VPALVAGUKRPNOF-UHFFFAOYSA-N 293.672 3.545 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)c2ccccc2)C1 617779956 LMKDBTYCRVSRLM-HUUCEWRRSA-N 257.377 3.605 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)cc2C#N)[C@@H]1C#N 444722357 HQRNGJVZUAVRMY-OAHLLOKOSA-N 287.794 3.726 30 20 CHED Cc1cccc2c1CCCN2CCCC1(C#N)CCOCC1 619620451 MIJHIYGKZYMFEF-UHFFFAOYSA-N 298.430 3.848 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 612243462 TWOWTXPGDLXYKO-GOSISDBHSA-N 294.354 3.712 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 355643512 MVNOHAHAPAIWIB-AWEZNQCLSA-N 297.402 3.897 30 20 CHED CCc1nc2ccccc2c(N2CC[C@](F)(C#N)C2)c1C 619587265 FRAZVPCIATZTOE-KRWDZBQOSA-N 283.350 3.548 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1cc(C#N)ccc1F 530902161 KULAQSNLOPUQSU-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED C=CCN1CC[C@H](S[C@@H](C)c2ccc(Cl)cc2)C1=O 537502848 UKQHTBKLXIHTNT-FZMZJTMJSA-N 295.835 3.921 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H](C)C(CC)CC 535614947 ZUTAGLRAHHNKQD-CQSZACIVSA-N 289.419 3.940 30 20 CHED C=CCCC(=O)NCC1(Cc2cccc(Cl)c2)CC1 458004743 DRUYEPBCTKTNBU-UHFFFAOYSA-N 277.795 3.745 30 20 CHED CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 458134492 PTGQHGTVOSNCMB-YJBOKZPZSA-N 284.403 3.652 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2c2cccc(Cl)c2)c1 367514126 PWBHPPZKNJMCNG-OAHLLOKOSA-N 283.762 3.948 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC2(CCCC2)[C@H]1C(C)C)OCC 457175484 SKYCZZSMNCYXHQ-NVXWUHKLSA-N 293.451 3.785 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 450141022 HLMNLPYAUUPHNV-UHFFFAOYSA-N 297.358 3.765 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(Br)cc1C 454259321 KGNIZTWACYMYNX-UHFFFAOYSA-N 297.196 3.845 30 20 CHED CC(C)c1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cn1 610933375 OLLQFHBSIKDHQQ-CYBMUJFWSA-N 293.370 3.568 30 20 CHED Cc1ccc(-c2cccnc2)cc1NC(=O)CCCC#N 360464537 BWMBILHZVNIRLG-UHFFFAOYSA-N 279.343 3.689 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCC1CCOCC1 360657651 OWLCGIKCCORNMO-IBGZPJMESA-N 298.430 3.732 30 20 CHED C=CCC1(NC(=O)CCC(F)(F)F)CCCCC1 456365444 LEEFOUXOHNEFBF-UHFFFAOYSA-N 263.303 3.724 30 20 CHED C=CC(C)(C)CNC(=O)N(C)CC1(c2ccccc2)CC1 455390003 UWFWYAOKLSBPBS-UHFFFAOYSA-N 286.419 3.572 30 20 CHED CC(C)(CC#N)CNC(=O)C(C)(C)c1cccc(Cl)c1 457991328 JDCYVVCRNSXHEH-UHFFFAOYSA-N 292.810 3.674 30 20 CHED C=CCCc1noc(C2(Cc3ccc(F)cc3)CC2)n1 453226117 DYFJFHOHXSGAIL-UHFFFAOYSA-N 272.323 3.602 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)NCCCCC#N)cc1 368996755 XWLAUUOVXWKKIR-INIZCTEOSA-N 285.391 3.535 30 20 CHED CN(C(=O)NCC(C)(C)C#N)[C@@H]1CCC[C@H]1c1ccccc1 458636089 BLJUJUDKFCJTBK-JKSUJKDBSA-N 299.418 3.514 30 20 CHED C[C@H]1CN(c2snc(Cl)c2C#N)[C@H]1c1ccccc1 271378695 WYMSNXKDPPTNQC-JOYOIKCWSA-N 289.791 3.866 30 20 CHED Cc1cccc(CCCNc2cccc(Cl)c2C#N)n1 450520421 PZELUKKSIMVOKU-UHFFFAOYSA-N 285.778 3.960 30 20 CHED C=CCCNc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 453123844 SOBSKSNZZWKRTH-UHFFFAOYSA-N 293.432 3.699 30 20 CHED N#CCCN(CCc1cccc(Cl)c1)Cc1ccco1 459299343 PEMWRGSRVKFEGB-UHFFFAOYSA-N 288.778 3.891 30 20 CHED C=CC(C)(C)CNC(=O)c1cc2ccc(OCC)cc2[nH]1 452778174 PUBNTFKBEPQOSI-UHFFFAOYSA-N 286.375 3.509 30 20 CHED N#C[C@H](NC(=O)C12CCC(CC1)C2)c1ccccc1Cl 541273460 VOYFFYAJDRLZFI-WMEQCIOUSA-N 288.778 3.601 30 20 CHED CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)n[nH]1 276833348 BPRPAPMHVYTNRG-XQQFMLRXSA-N 297.406 3.602 30 20 CHED C=C[C@H](CC(=O)Nc1noc(C)c1C)c1ccccc1 452169425 XLYHNXXXJWDBPL-CYBMUJFWSA-N 270.332 3.590 30 20 CHED CSc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)nc1 272286920 PKGKWABDLAPWPO-LBPRGKRZSA-N 299.399 3.879 30 20 CHED CC[C@@](C)(CN[C@H]1CCCCc2cc(C#N)ccc21)OC 453303674 NNSZHZLDQNCIDR-ROUUACIJSA-N 286.419 3.730 30 20 CHED CN(CC(C)(C)C#N)C(=O)NCC(C)(C)C1CCCCC1 458605046 DGRJKDFGEXDQSD-UHFFFAOYSA-N 293.455 3.784 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1nc(-c2ccccc2)cs1 362402879 NCRQMIWFJBMFBW-CYBMUJFWSA-N 299.399 3.574 30 20 CHED CC#CCCCC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 274327727 IEXPQJAABDIMHX-FUHWJXTLSA-N 283.415 3.660 30 20 CHED CC[C@H](C)[C@@H](NC(=O)[C@H](C)C#N)c1ccc(Cl)cc1 469717865 PEDCIKXEMDWZBO-MISXGVKJSA-N 278.783 3.703 30 20 CHED C=CCOc1ccc(CC(=O)N(CC)[C@H](C)C(C)C)cc1 460060385 LDJZAEKRSXXZMX-OAHLLOKOSA-N 289.419 3.687 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 464762440 VLKPMPDOILGIIJ-ZJUUUORDSA-N 286.297 3.640 30 20 CHED C=CCCOCC(=O)Nc1c(CC)ccc(Cl)c1CC 620326534 IIPDIUPGMFUILP-UHFFFAOYSA-N 295.810 3.996 30 20 CHED CC(C)Oc1ccc(C(=O)/C=C/c2cn(C(C)C)nn2)cc1 287367250 YUCWOJGHMFIHQN-JXMROGBWSA-N 299.374 3.542 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CCc1ccccc1)C(F)F 623622718 CCZMTGYZKFYOBE-TZMCWYRMSA-N 296.361 3.517 30 20 CHED C=CCCC(=O)Nc1cccc2c1CN(c1ccccn1)C2 374360927 PJLYLJASWXFGTI-UHFFFAOYSA-N 293.370 3.507 30 20 CHED CCCCCCCCN1CCN(C2CCOCC2)C[C@H]1C 373292535 JOQUFEDTTUKFQL-QGZVFWFLSA-N 296.499 3.532 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 463072354 ZSOGWGZDMGHMGF-QWRGUYRKSA-N 288.416 3.873 30 20 CHED C=CC[C@H](C(=O)N1CCCC(C)(C)C1)c1ccccc1 466637895 RTYYIXVJQHZFLO-INIZCTEOSA-N 271.404 3.995 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCC1(c2ccccn2)CCC1 376125232 BLXHIUHZKBZVSJ-HUUCEWRRSA-N 258.409 3.694 30 20 CHED N#CCCCN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 282022329 KKCWTBYCPXPPSN-IAGOWNOFSA-N 252.361 3.610 30 20 CHED C=CC[C@H](CC)NC(=O)NC1(Cc2ccccc2)CCC1 466403496 FXJHYVWOXJCPRM-INIZCTEOSA-N 286.419 3.806 30 20 CHED N#CCC1(CN[C@H]2CCC[C@@H]2c2ccccc2)CC1 370667443 MLZPAAOEXCNOOO-CVEARBPZSA-N 254.377 3.606 30 20 CHED COc1cccc(N(CCCSCC#N)CC(C)C)c1 467194583 KNLQMEJQACDPDE-UHFFFAOYSA-N 292.448 3.804 30 20 CHED C=CCCN(C)C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 466966339 SIFZVBOADVDIBB-RYUDHWBXSA-N 292.345 3.573 30 20 CHED C=CCC(C)(C)CNCc1cc([N+](=O)[O-])ccc1OCC 559308108 FDJJUPZLHUKEJA-UHFFFAOYSA-N 292.379 3.685 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2cccc(Cl)c2)CCCC1 465121338 SBCXTFUWCPEEQK-GFCCVEGCSA-N 277.795 3.843 30 20 CHED C=CCC[C@H](NCCc1cccc(C)n1)c1ccco1 287690476 WQZGLVKXWBTSMN-INIZCTEOSA-N 270.376 3.823 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1sc(CC)nc1C 280922244 UCOKACNEBCEEIJ-LNSITVRQSA-N 294.464 3.646 30 20 CHED Cc1c(Cl)cnc(NCC2CCC(C#N)CC2)c1C#N 281664014 OYSDQDUUECSQMW-UHFFFAOYSA-N 288.782 3.657 30 20 CHED C=CCc1cc(CNCC(C)(C)CC=C)cc(OC)c1O 555590478 GZAQHNHDGAGWFJ-UHFFFAOYSA-N 289.419 3.821 30 20 CHED CCCN(CC(C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1 299438703 KJIWFFQUBYXTCF-CQSZACIVSA-N 287.407 3.697 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(CC)CCC 558630310 HXVDBLOFWQVRBW-UHFFFAOYSA-N 276.428 3.748 30 20 CHED C=CCOCCN1CC=C(c2ccc(Cl)cc2)CC1 559144514 JGNZWPHLEBAYAM-UHFFFAOYSA-N 277.795 3.632 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)NCC1=CCCCC1 296739932 HPRMDHNSLCRQPO-CYBMUJFWSA-N 299.374 3.599 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@](C)(C#N)CSC 809137134 RPNBZJKZWATJCG-UKRRQHHQSA-N 284.469 3.744 30 20 CHED CC(C)c1cccc(CNC(=O)c2ccc(C#N)s2)c1 475951941 FQITWRFJIUKLAN-UHFFFAOYSA-N 284.384 3.673 30 20 CHED C=CC[C@H](C(=O)OCC1CC(OCC)C1)c1ccccc1 802949176 PAUNMUHRGLNLLK-PREGVCBESA-N 288.387 3.705 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 806249293 BXGIGUCHPHWCCV-ZDUSSCGKSA-N 299.399 3.652 30 20 CHED c1ccc(C2CCC(=NN[C@H]3CCSC3)CC2)cc1 808003187 KKJVCABKBDXBQE-WMCAAGNKSA-N 274.433 3.795 30 20 CHED CCC(CC)(CNC(=O)NCC(C)(C)CCC#N)SC 806880808 YGLXOCNYDNHMJO-UHFFFAOYSA-N 299.484 3.537 30 20 CHED CC(C)N(C)C[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 386744063 YEJCYOSQNRPRHL-LLVKDONJSA-N 299.340 3.718 30 20 CHED Cc1nsc(N2CCC(CC(C)C)CC2)c1C#N 804552501 BWTHGOUHIGFSNM-UHFFFAOYSA-N 263.410 3.586 30 20 CHED C=CCC(C)(C)C(=O)N1CCC2(CC1)OCc1ccccc12 645778749 ALFBPXLGDXRHQB-UHFFFAOYSA-N 299.414 3.637 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 564256363 CEHRZRWOZYEKCB-HNNXBMFYSA-N 287.319 3.807 30 20 CHED N#CCCCc1nc(-c2ccc(F)cc2C(F)(F)F)no1 292806338 YVPZWUAJNKIIEM-UHFFFAOYSA-N 299.227 3.741 30 20 CHED CC(C)n1cc(/C=C2\C(=O)c3ccccc3[C@H]2C)cn1 290026532 XRVQNJNFCIQQBG-VJMCZWTHSA-N 266.344 3.847 30 20 CHED C=CCOCCCNC1(c2ccc(F)cc2)CCCC1 470762221 QENIJULPRFTIHV-UHFFFAOYSA-N 277.383 3.777 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 642049421 NNSVQGYLKLMKNL-GDBMZVCRSA-N 287.403 3.902 30 20 CHED CC[C@H]1CCC1=NNc1ccc(Cl)c(C(=O)O)c1 807944332 XDKNGOICOJTDDB-QMMMGPOBSA-N 266.728 3.626 30 20 CHED FC(F)(F)c1ccccc1C=NNCC1CCCC1 808005787 JFPMSKYGGFGZAA-UHFFFAOYSA-N 270.298 3.819 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1c(Cl)cccc1OCC 568528043 ILIHMZBUNPSCSK-CABCVRRESA-N 295.810 3.562 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](OC)[C@H](C)CC 477142803 VRDDYCCBJHBFBD-WBVHZDCISA-N 289.419 3.652 30 20 CHED Cc1ccc(OC2CCN([C@H](C)CCC#N)CC2)cc1 299376758 SHMOZWDEGHFNOC-OAHLLOKOSA-N 272.392 3.531 30 20 CHED CCCC[C@H](C)C(C)=NNc1nc(-c2ccncc2)no1 807968580 YLSSSAPVAFBMKJ-NSHDSACASA-N 287.367 3.746 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Cl)c(CN(C)C)c1 295131009 KZPATJJSVBTIKI-UHFFFAOYSA-N 280.799 3.552 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@H](C(C)(C)C)C1)C(C)(C)C 808313821 DJOFLCSOWAELNM-UONOGXRCSA-N 278.440 3.502 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CC=CCC1 482748920 IRONEPVJYGGGSP-INIZCTEOSA-N 261.409 3.938 30 20 CHED CCOc1ccc(NN=C2CCc3cccnc3CC2)cc1 817328935 DFBUIYORQREYFL-UHFFFAOYSA-N 295.386 3.827 30 20 CHED Cc1nc(N2CCC[C@@H]2c2cccc(F)c2)ccc1C#N 488061244 BTBVIIHVIGTQAA-MRXNPFEDSA-N 281.334 3.742 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1(F)CCCCC1 810247045 JDASINUOXSGFRU-UHFFFAOYSA-N 289.394 3.916 30 20 CHED C=C(C)CCNC(=O)N1CCc2ccccc2[C@H]1CC 656155658 RVMXMUODUJKQKZ-MRXNPFEDSA-N 272.392 3.672 30 20 CHED CO[C@H](C(C)=NOC/C=C\Cl)c1ccccc1 811668001 IWEFFTGIIAYBFV-NVAUXCHTSA-N 253.729 3.519 30 20 CHED N#Cc1ccc(SC[C@@H]2CCC[C@H](O)C2)c(Cl)c1 488254762 RJIVGICEVGCAAJ-NEPJUHHUSA-N 281.808 3.855 30 20 CHED COC1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCCC1 483262996 BUYCCBRBFIVIGU-ZWKOTPCHSA-N 298.430 3.717 30 20 CHED CCCCCCCS(=O)(=O)N(C1CCC1)C1CCC1 813763392 OGAZBDIAYLENRM-UHFFFAOYSA-N 287.469 3.694 30 20 CHED C=C(C)CN(C)C(=O)NCCCCCc1ccc(F)cc1 489046449 BOANHIYHQWQJQG-UHFFFAOYSA-N 292.398 3.756 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)c1ccc(F)c(F)c1 488876453 FYIQDQVIKFUULI-AAEUAGOBSA-N 279.330 3.635 30 20 CHED C=CCC(F)(F)C(=O)OCc1nc(C(C)(C)C)cs1 815313474 IUVHNEAFPOQZGJ-UHFFFAOYSA-N 289.347 3.695 30 20 CHED Cc1nc(N2C[C@H](c3ccccc3)C[C@@H]2C)ccc1C#N 488072031 UCISZJYGLJOPBT-SUMWQHHRSA-N 277.371 3.644 30 20 CHED CC(=NOCC1CC1)c1[nH]c(-c2ccccc2)nc1C 814243428 VKDUKXFMKRRPPF-UHFFFAOYSA-N 269.348 3.536 30 20 CHED CC(C)(C)SCC/N=C/c1cc2ccccc2nc1O 727265152 JWBUPELIXVTHKN-GZTJUZNOSA-N 288.416 3.891 30 20 CHED N#Cc1cccc(SCc2cccc(F)c2C#N)c1 488264723 KVCLRCVIZVCWNN-UHFFFAOYSA-N 268.316 3.861 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)[C@@H]1CCCC[C@H]1C 825614441 VXVUOQXAZWFEFV-MLGOLLRUSA-N 288.366 3.738 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1=CCCCC1 579465643 WXCVCVKWTRKCGY-AWEZNQCLSA-N 297.402 3.761 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc3c(c1)CCO3)C2=O 729149360 DFQWXOLFTGPOCS-XNTDXEJSSA-N 276.335 3.752 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1c1nccc(C#N)c1Cl 573870887 MLBWTCGLHDYTJV-SWLSCSKDSA-N 297.789 3.989 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCc1ccc(F)cc1)CC2 576097353 PVDLFMGCPYENOZ-GOSISDBHSA-N 280.346 3.517 30 20 CHED C=CCCC1(C(=O)N2CC[C@](F)(c3ccccc3)C2)CC1 579618328 NHQJVUDLQUHCOI-GOSISDBHSA-N 287.378 3.830 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CC)Cc1ccc(F)cc1 665498448 DROMVLJYSWDMIV-MRXNPFEDSA-N 292.398 3.754 30 20 CHED CCC1CCC(N(C)C(=O)CCc2ccc(C#N)cc2)CC1 499344732 YCFHQZKUJYLINW-UHFFFAOYSA-N 298.430 3.918 30 20 CHED C[C@@H](SCC1(C#N)CCC1)c1cn(-c2ccccc2)nn1 571063240 YGGIJWVCNZHOEF-CYBMUJFWSA-N 298.415 3.755 30 20 CHED CC[C@@H](C)[C@H](C)NCc1cc(C#N)ccc1Br 491598433 GSPZRBYOOHXIND-MNOVXSKESA-N 295.224 3.845 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(F)cc1O 727778506 KNRGRRKRQRTOTO-NSHDSACASA-N 272.323 3.606 30 20 CHED CCCC[C@@H]1CCCC1=NNC(=S)NC(C)(C)C 727256146 IGRIOBWZNVTQJP-LLVKDONJSA-N 269.458 3.595 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cnccc1OC(C)C 821101201 LJLTYWJHGFHGOG-UHFFFAOYSA-N 277.364 3.514 30 20 CHED C=CCC1(NC(=O)NC[C@@H]2CCCC2(F)F)CCCC1 665027829 WORIPVWYRSMGTC-LBPRGKRZSA-N 286.366 3.610 30 20 CHED N#Cc1ccc(-c2nc(CCC3CC3)no2)cc1Cl 589140204 IYRALAAUVSQXJQ-UHFFFAOYSA-N 273.723 3.604 30 20 CHED C=CCOCC(=O)Oc1ccc(Oc2ccccc2)cc1 729648912 KGVHBWNIXBQXLQ-UHFFFAOYSA-N 284.311 3.587 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C/c2cncn2C)cc1 901542455 DYNJKXCRQDYFDV-LXKVQUBZSA-N 268.360 3.830 30 20 CHED CC[C@H](N[C@H](CC)[C@H]1CCCO1)c1cccc(C#N)c1 902888353 SMFALUJZDKBQDY-GVDBMIGSSA-N 272.392 3.557 30 20 CHED CN(C(=O)c1cc(C#N)ccc1F)C1CCCCCCC1 824939212 QYNCVTBRXHQSCB-UHFFFAOYSA-N 288.366 3.882 30 20 CHED C=CCN(C(=O)c1cccc(Oc2ccncc2)c1)C(C)C 732958531 OHAVDDZLRZMXAP-UHFFFAOYSA-N 296.370 3.911 30 20 CHED CC(C)C1=NNC(=Nc2ccccc2Cl)SC1 730815924 MNHFHKIXARDIRC-UHFFFAOYSA-N 267.785 3.676 30 20 CHED Cc1csc(NC(=O)c2cc3occc3s2)c1C#N 589034622 QVPXOAILSCMXEA-UHFFFAOYSA-N 288.353 3.988 30 20 CHED CCCCCCCN[C@H]1CCC[C@H](C(F)(F)C(=O)O)C1 902060180 CKILKHCXEVMLEY-STQMWFEESA-N 291.382 3.825 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(C(F)(F)F)cn1 902871409 NTTAEVDUJJCSRB-MRVPVSSYSA-N 264.678 3.504 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(CCc2ccccc2)no1 835700360 YAGFHQSOPOMUPI-UHFFFAOYSA-N 299.370 3.715 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C#CC1CC1 837451903 NPSZIKFROVKOOZ-CHWSQXEVSA-N 289.806 3.704 30 20 CHED CS[C@@H]1CCCC(=NOCCC(F)(F)F)C1 901222723 RBDBDWJFFOCXHT-SECBINFHSA-N 255.305 3.617 30 20 CHED CCCCCCCCCCC(=O)Nc1nnn(C)c1C 839943718 YWZXXJCHBDAKBC-UHFFFAOYSA-N 280.416 3.593 30 20 CHED C[C@@H](NN=C1CC[C@H](Cc2ccccc2)C1)C(F)(F)F 834998415 HASARMPFTBTCCZ-DGCLKSJQSA-N 284.325 3.926 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1ccc2c(c1)CCC2 837675515 BNTOIIJIJFGQDD-LBPRGKRZSA-N 271.360 3.719 30 20 CHED C[C@@H](C(=O)OCc1cc(C#N)ccc1F)c1ccsc1 738838676 XUVLBLPPFLHBRX-SNVBAGLBSA-N 289.331 3.606 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1C#N 732857047 PIFSZXYBAVKRFJ-INIZCTEOSA-N 293.366 3.870 30 20 CHED N#Cc1ccc(N2CCC[C@H]3C[C@H]32)c(C(F)(F)F)c1 588066475 QFPCQJQANJDQRO-GXFFZTMASA-N 266.266 3.566 30 20 CHED C#Cc1ccc([C@H](OC(=O)CCC)C(F)(F)F)cc1 836080916 NYTOITBNGCPCCB-ZDUSSCGKSA-N 270.250 3.615 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C#CC(C)(C)C)C2CC2)o1 837341089 SROSRFFBFZCGBH-BBRMVZONSA-N 299.414 3.944 30 20 CHED Cc1cc([C@@H](C)NCc2cc(C#N)ccc2F)cs1 834672204 CQSPEBHMKRCKIQ-LLVKDONJSA-N 274.364 3.918 30 20 CHED C#CCC[C@@H](C)OC(=O)CCc1ncc(-c2ccccc2)o1 839034148 MWMMLBGLWQVBPV-CQSZACIVSA-N 297.354 3.619 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 730978146 UFUNCTCYVBVWFC-UHFFFAOYSA-N 279.339 3.568 30 20 CHED C#CCC[C@@H](C)OC(=O)c1sc(C)cc1OC(F)F 839039466 PYIAODSQWVBMKP-MRVPVSSYSA-N 288.315 3.617 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H](C)c2cccc(F)c2)c1 734770885 AIZHZNQPZCSPHI-CYBMUJFWSA-N 281.330 3.939 30 20 CHED CCc1ccccc1NN=Cc1ccc(OC)cc1 915051572 HWYVHQDATXNNOT-UHFFFAOYSA-N 254.333 3.704 30 20 CHED CC(=NNc1cccc(Cl)c1)c1ccc2c(c1)CC(=O)N2 915934609 GYIWNSFNZRTVQQ-UHFFFAOYSA-N 299.761 3.671 30 20 CHED COc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(Cl)c1 839048220 CKFPRYYNRGYRLI-PWSUYJOCSA-N 293.750 3.588 30 20 CHED N#CCC[C@@H](NC(=O)NC1(C2CCC2)CC1)c1ccccc1 593381795 DGUTXOIAIUEDOU-MRXNPFEDSA-N 297.402 3.663 30 20 CHED C=CCONC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 838705055 YEHVCRQKQIHWSE-LBPRGKRZSA-N 288.347 3.643 30 20 CHED N#CC[C@@]1(O)CCN(Cc2ccc(C3CCCCC3)cc2)C1 592151388 OAVMXIPLXKSGHZ-LJQANCHMSA-N 298.430 3.585 30 20 CHED N#CCCCCOC(=O)Cc1ccc2ccccc2c1 914622322 DZYSCHPEKRWWTO-UHFFFAOYSA-N 267.328 3.619 30 20 CHED O=C(C#CC1CC1)Nc1cccc(C2SCCS2)c1 837315941 CFIDHCWLBBTXJE-UHFFFAOYSA-N 289.425 3.517 30 20 CHED C=C(CNC(=O)C1(c2cccc(C)c2)CC1)c1ccccc1 673342642 PYFOMFLOCYHHIX-UHFFFAOYSA-N 291.394 3.856 30 20 CHED C[C@@H]1CC(=NNc2ccncn2)C[C@H](c2ccccc2)C1 835001248 FDAJFBYJRJFEGL-DZGCQCFKSA-N 280.375 3.848 30 20 CHED CC[C@@H](C)CC=NNc1ccc(C(F)(F)F)cn1 834920946 PWKVBQAOZLTYIU-SECBINFHSA-N 259.275 3.934 30 20 CHED C=CCC1(NCc2c(F)cccc2[N+](=O)[O-])CCCC1 595780018 FQMUOIGHXPJSPJ-UHFFFAOYSA-N 278.327 3.712 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2CCCSCC#N 745984234 OWOVZOQVVVSEIX-UHFFFAOYSA-N 288.460 3.993 30 20 CHED C[C@@H]1CC[C@H](NC(=O)CC2(C#N)CCCCC2)[C@H](C)C1 597228118 DKPBBBLOXKIBBS-KFWWJZLASA-N 276.424 3.791 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@H]1CCCOC1 678350060 QVFFQPSTDLVQIQ-NSHDSACASA-N 271.813 3.569 30 20 CHED Cc1ccc(C=NN[C@@H]2CCOC(C)(C)C2)c(Cl)c1 844591403 JJYGUGGQMREMMC-CYBMUJFWSA-N 280.799 3.530 30 20 CHED O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)C1CCCCC1 844255671 ZCNLPLKIFDPWQE-CLFYSBASSA-N 299.349 3.569 30 20 CHED COc1cc(C=NNc2ccc(Cl)cc2)cc(OC)c1 916246744 LFHHUZACJPAIBY-UHFFFAOYSA-N 290.750 3.803 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\CCc2ccc(F)cc2C1=O 849250621 VQWVBELZGKBBRY-MDWZMJQESA-N 296.345 3.649 30 20 CHED CCOc1cccc(/C=N/CCCc2ncccc2C)c1O 840709674 NTJDPJZFZXLKST-CPNJWEJPSA-N 298.386 3.546 30 20 CHED CCCn1ncc(N[C@H]2CCC[C@@H](C#N)C2)c1C1CC1 590655926 UDQCYIGFOIWFKP-OCCSQVGLSA-N 272.396 3.665 30 20 CHED CC(C)CCOc1ccc(NC(=O)CCCC#N)c(F)c1 594200183 ZVXSFXYFPJIRCY-UHFFFAOYSA-N 292.354 3.883 30 20 CHED CCCCC[C@H](C)CC(=O)NCc1cc(C#N)ccc1F 742732946 KJQLNJREVXCAAU-ZDUSSCGKSA-N 290.382 3.920 30 20 CHED C#CCCCNCc1csc(-c2ccc(Cl)cc2)n1 742385165 XZMREZPHUHYXEW-UHFFFAOYSA-N 290.819 3.967 30 20 CHED COc1ccc([C@H](C)NCc2ccc(C#N)cc2F)c(C)c1 591239029 KDLCJQJDXMEPRN-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED C=CCC1(C(=O)Nc2cccnc2F)CCCCC1 843692181 LRFLSUYVOASXMP-UHFFFAOYSA-N 262.328 3.686 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1c(C)cncc1C 675442462 IQTYZEMLCNKMAP-UHFFFAOYSA-N 298.361 3.666 30 20 CHED CCN(C(=O)CCc1ccc2ccccc2c1)[C@@H](C)C#N 598356867 YWDAFVZVCKMULN-AWEZNQCLSA-N 280.371 3.533 30 20 CHED C[C@@H](C#N)OCCSC[C@H](C)C1CCCCC1 842183328 LGXDHXOGKVKJLY-STQMWFEESA-N 255.427 3.865 30 20 CHED CC(CCCCC#N)=NNc1cccc(Br)n1 841644360 VUDUZXKHZCIJIR-UHFFFAOYSA-N 295.184 3.716 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2ccncc2s1 595045245 SEWVGHSPTINRAG-GMXVVIOVSA-N 271.389 3.639 30 20 CHED N#CCC1(CSCCOc2ccccc2F)CC1 596323287 FDXQDUHGHARANG-UHFFFAOYSA-N 265.353 3.632 30 20 CHED C=CCCOCCCCC(=O)N(C)c1ccc(C)cc1F 841328345 UPYPTQDWIXCTDM-UHFFFAOYSA-N 293.382 3.860 30 20 CHED CCCCCCCCC(=O)NC[C@@H](C)N1CCCCC1 917838361 KDQAYUALKYKYRC-MRXNPFEDSA-N 282.472 3.728 30 20 CHED C=CCOc1cccc(NC(=O)NCC(CC)CC)c1 591502386 ZZCTVUJLZKPCAZ-UHFFFAOYSA-N 276.380 3.809 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc2c(c1)CCCCC2 593271620 NBFOLHYIAIASJR-OAHLLOKOSA-N 285.391 3.769 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1cc(C2CC2)no1 594702890 ZMWDUVHLCHGMCL-UHFFFAOYSA-N 297.358 3.823 30 20 CHED C=CCC[C@@H](OC(=O)c1ccc(C(F)F)nc1)C1CC1 847666359 ITPJVQQRNSTMAP-CYBMUJFWSA-N 281.302 3.921 30 20 CHED CCc1ccc(C(=O)/C=C\c2c(C)n[nH]c2C)s1 915988269 SRBRIUPRMGAQGS-SREVYHEPSA-N 260.362 3.547 30 20 CHED N#CC1(CCOC(=O)c2conc2C2CC2)CCCCC1 840574870 LGGMARYBIHTZNF-UHFFFAOYSA-N 288.347 3.573 30 20 CHED CCCNN=Cc1c(Cl)ccc(Cl)c1Cl 915965357 NGNIDGVEBPYZTG-UHFFFAOYSA-N 265.571 3.980 30 20 CHED COc1ccc([C@H](C)NCCc2ccc(C#N)cc2)c(C)c1 595056716 VAQYLYZQVYSIOM-HNNXBMFYSA-N 294.398 3.769 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 912078166 RHQRCNZOOZAFNV-YOEHRIQHSA-N 297.402 3.759 30 20 CHED FC1(F)CCCC[C@@H]1CON=Cc1cccs1 842015965 PSUPDEKKBSIPEE-SNVBAGLBSA-N 259.321 3.924 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@@H]2C(C)C)n1 747764204 NOIZYTVSSXHQAH-SNVBAGLBSA-N 266.776 3.662 30 20 CHED COc1ccc2c(c1)OCC2=NNc1ccc(Cl)cc1 749156911 AMAPQEURGPMQBS-UHFFFAOYSA-N 288.734 3.557 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@@H](C)C(C)(C)C)no1 685315263 DUAFMJUBRRBORV-IAQYHMDHSA-N 266.385 3.699 30 20 CHED C=CC[C@@H]1N(C(=O)NCc2ccoc2C)CCCC1(C)C 683544221 NOBWVHFRXFGXLJ-HNNXBMFYSA-N 290.407 3.864 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3cccc(C)n23)s1 748997788 HODBABZKXDECIV-BQYQJAHWSA-N 282.368 3.909 30 20 CHED N#Cc1ccc(C=NNc2ccnc3cc(Cl)ccc23)o1 743420835 QVOZGOREHPLMNA-UHFFFAOYSA-N 296.717 3.799 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1Cc1ccc(OCC#N)cc1 744414253 LAFACXLUQHEBRL-MAUKXSAKSA-N 286.419 3.990 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(OCC3CC3)cc2)no1 844549511 FBHINCVAAHDIPZ-TWGQIWQCSA-N 283.327 3.668 30 20 CHED O=C1/C(=C\c2ccccc2F)CCc2c(O)cccc21 742434956 OMUIGLCHUJNCRJ-BENRWUELSA-N 268.287 3.744 30 20 CHED C#CCN(C(=O)c1cccc(-c2csc(C)n2)c1)C(C)C 928626956 GVGYBBDDMDRGMP-UHFFFAOYSA-N 298.411 3.602 30 20 CHED Cc1ccc(-c2ccc(C=NNc3cnccn3)s2)cc1 920479737 RDTYAQRWLWXUIX-UHFFFAOYSA-N 294.383 3.960 30 20 CHED COc1cc(C=NNc2cccc(F)c2)cc(Cl)c1O 920383627 HSUPZSYQRJRNBX-UHFFFAOYSA-N 294.713 3.639 30 20 CHED C#CCN(CC)C(=O)Nc1ccccc1OCCC(C)C 847207510 UBOCCQBJMQUUKK-UHFFFAOYSA-N 288.391 3.599 30 20 CHED COc1cccc(/C=N/[C@@H]2CCc3cc(C)ccc32)c1O 920178108 OHFFUVCNLZFCJG-YDDPGSGASA-N 281.355 3.816 30 20 CHED C#CCCCN[C@H]1CCC[C@H]1c1ccccc1Cl 756610657 PWEUTBKMYNZTCM-HOCLYGCPSA-N 261.796 3.979 30 20 CHED N#Cc1cc2ccccc2nc1NCCNc1ccccc1 750027368 HVHSFGYGHONHQC-UHFFFAOYSA-N 288.354 3.630 30 20 CHED Oc1nc2ccccc2cc1/C=N\Cc1ccc(F)c(F)c1 920387958 WTKOSRVLWAMAIA-JMIUGGIZSA-N 298.292 3.838 30 20 CHED C#CCOCCC(=O)Oc1ccc2oc3ccccc3c2c1 755431409 VONOJSWUXFDFAZ-UHFFFAOYSA-N 294.306 3.531 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 755274855 SPQSKRXUQLFYLQ-GUYCJALGSA-N 272.392 3.868 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1cccc(C)c1 853782823 AUWGNTJJSPWNHL-LLVKDONJSA-N 269.797 3.808 30 20 CHED CC(=NOCC(F)F)c1cc(Cl)ccc1OC(F)F 758911997 SIBCSJRQNBENLL-UHFFFAOYSA-N 299.651 3.947 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1ccc(F)cc1O 757475793 LFURQSHQRSSOMY-FPLPWBNLSA-N 293.297 3.976 30 20 CHED CC1(C)C[C@@]1(C(=O)OCCCCC#N)c1ccccc1 850292526 XJXNOHDFEKGIFO-KRWDZBQOSA-N 271.360 3.591 30 20 CHED C#CCCCOc1cccnc1NC1CCC(F)(F)CC1 853460676 NRIDUCHPQHVVQL-UHFFFAOYSA-N 294.345 3.864 30 20 CHED CCCON=Cc1cc(Cl)c(OCC)c(OC)c1 754276672 QPPJXWQVNRVUDZ-UHFFFAOYSA-N 271.744 3.508 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)ccc1OC(F)F 934675546 FDORODVDDOYKRW-VIFPVBQESA-N 287.281 3.968 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2C)c(O)c1 750938222 DUALUVVTAZNAHY-UHFFFAOYSA-N 288.322 3.684 30 20 CHED C=CCN(CC(=O)c1cc(C)n(C2CC2)c1C)C(C)C 754667763 IPUARQVVMFTLJF-UHFFFAOYSA-N 274.408 3.519 30 20 CHED C=C[C@H](OC(=O)CCC1CCOCC1)c1ccccc1 851452344 RCXWVNYVDJZRGX-INIZCTEOSA-N 274.360 3.664 30 20 CHED C#CCN(Cc1ccnc(Cl)c1)C1CCCCC1 748803206 STVHKQVZUVEIIB-UHFFFAOYSA-N 262.784 3.503 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C(C)=C1CCCC1 753625630 OZXANYQGXHLYFM-UHFFFAOYSA-N 287.334 3.667 30 20 CHED CCCC=Nn1c(S)nnc1-c1cccc(Cl)c1 755565808 WDJMICPQZHVKRQ-UHFFFAOYSA-N 280.784 3.521 30 20 CHED C=C[C@H](OC(=O)[C@@H](CC)SC)c1ccccc1 851451902 MVFAUWHEQXWWDO-QWHCGFSZSA-N 250.363 3.599 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc([C@H](C)CC)cc1 755279445 LYZJIUSRRODIMC-DOMZBBRYSA-N 258.365 3.622 30 20 CHED CC[C@H](C)c1ccc(C(C)=NNc2ccncn2)cc1 863116500 RGRBICZTBWEYGG-LBPRGKRZSA-N 268.364 3.826 30 20 CHED C#C[C@H](CC)OC(=O)/C=C/c1ccc2cc(OC)ccc2c1 768064079 WJMIZPPNOMFUDT-VDZSZVPASA-N 294.350 3.817 30 20 CHED Cc1ccc(C)c2c1CCCC2=NO[C@H]1CCCCO1 769798563 CHIONDUGJSEFTL-INIZCTEOSA-N 273.376 3.887 30 20 CHED CC(C)O[C@H]1CC(=NNc2ccc([N+](=O)[O-])cc2)C1(C)C 764892064 RPYNEJZWUGKDFJ-AWEZNQCLSA-N 291.351 3.586 30 20 CHED CC#CC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 764606757 ABOGDOFLVSAHHZ-UHFFFAOYSA-N 287.265 3.719 30 20 CHED C=CCCc1ccccc1NC(=O)CCNC(C)(C)C 935832993 PCXYHLXSRRHSHY-UHFFFAOYSA-N 274.408 3.522 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(C#N)cc1 761884590 IOVTUBNDHXYCHF-UHFFFAOYSA-N 283.306 3.542 30 20 CHED C=C1CCN(C(=O)N[C@H]2CCSc3ccccc32)CC1 864252632 CQQATCLTLOTCLD-AWEZNQCLSA-N 288.416 3.585 30 20 CHED C#CCOc1cccc(-c2noc(C(CC)CC)n2)c1 761782017 LGXBDPQEAQZPIS-UHFFFAOYSA-N 270.332 3.652 30 20 CHED C#C[C@@H](C)N(C)C(=O)CSc1ccc(C(C)(C)C)cc1 767232524 XDDHDNXOGWFHQE-CYBMUJFWSA-N 289.444 3.556 30 20 CHED CC(C)(C)c1ccc(C=NNCc2ccc(C#N)cc2)cc1 769822243 YAFRBXOYKIYENC-UHFFFAOYSA-N 291.398 3.979 30 20 CHED CC[C@H](C)CN(CC)Cc1ccc(N(C)CCC#N)cc1 769536497 AMBGMDYJXSHKHW-INIZCTEOSA-N 287.451 3.904 30 20 CHED C=CCn1cnnc1SCC[C@@H]1CCC[C@@H](C)C1 1116931760 GPMUHOUXWTZJFA-OLZOCXBDSA-N 265.426 3.773 30 20 CHED C[C@H]1C(=NNc2cccc(F)c2Cl)CC[C@H]1CC(=O)O 863158402 AAPVYADBNXDMCN-BDAKNGLRSA-N 298.745 3.768 30 20 CHED Cc1cc(OC(=O)C[C@H]2CC[C@H](C)C2)ccc1C#N 765093146 GGGAESIVQPGLRO-AAEUAGOBSA-N 257.333 3.598 30 20 CHED C#C[C@H](CC)OC(=O)c1sc(C)nc1-c1ccccc1 768052398 ZDHPYDNXRDITAL-CYBMUJFWSA-N 285.368 3.687 30 20 CHED CSc1ccsc1C(=O)Oc1ccc(C#N)c(C)c1 765094759 PTTQIBIILKUSBB-UHFFFAOYSA-N 289.381 3.869 30 20 CHED N#CCC(=O)Nc1ccccc1SCc1ccccc1 771947561 OHSOGSRYOUESOG-UHFFFAOYSA-N 282.368 3.831 30 20 CHED Cc1cc(CNc2cnc(Cl)c(C)c2)ccc1C#N 775159530 QFXUFCZDLDIGQT-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C#CCN(C[C@@H](C)CCC#N)[C@@H]1CCc2ccccc21 876513650 OQTGHFJIRWQVGY-MAUKXSAKSA-N 266.388 3.549 30 20 CHED C#CCCCCCCNC[C@H]1CCOC2(CCC2)C1 877564450 BBXKCGVLTHQRDX-INIZCTEOSA-N 263.425 3.509 30 20 CHED C=CCC1(NC(=O)Nc2cc(CC#N)ccn2)CCCCC1 871733346 HEYZSKSIQQPNPW-UHFFFAOYSA-N 298.390 3.548 30 20 CHED C#CCCCCCC(=O)Nc1cscc1Cl 874811116 DRSRNLNEEYOWFX-UHFFFAOYSA-N 255.770 3.924 30 20 CHED C#CCCCCCC(=O)N(CCCC)CC(F)(F)F 779836730 FRSBVDLERRNCJM-UHFFFAOYSA-N 277.330 3.761 30 20 CHED C#CCCCCC(=O)Nc1ccc(-c2ccc[nH]2)cc1 775558365 RSASNYLGKATCGJ-UHFFFAOYSA-N 266.344 3.814 30 20 CHED CCO[C@H]1CC(=NOC2CCCC2)[C@H]1Oc1ccccc1 774397978 BKFQXKJMYQBHCG-DLBZAZTESA-N 289.375 3.558 30 20 CHED C=C(CC)COC(=O)[C@@H](C)Cc1cccc(F)c1 773501591 QQWHTAHVLUIQSX-LBPRGKRZSA-N 250.313 3.514 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2sccc2C#N)C1 1129903346 CFBLWGCUZCFSIA-NSHDSACASA-N 276.405 3.566 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@@H](CF)C1)c1ccccc1 881675840 ZYEMIFIAUQJSID-HOCLYGCPSA-N 275.367 3.554 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C(\C)c1ccccc1 778984907 MYWHUIGZIDWBNL-FOCLMDBBSA-N 295.382 3.940 30 20 CHED C#CCCCCCc1nc(-c2cscc2C)no1 771526998 SEKVKIPPVMTOCP-UHFFFAOYSA-N 260.362 3.843 30 20 CHED C#CCCCCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 779769566 YNWIJZCIPKQMGH-UHFFFAOYSA-N 298.386 3.557 30 20 CHED C(CSCc1ccccc1)=NNc1nc2ccccc2[nH]1 774317915 ABKHZGHVOUKMOB-UHFFFAOYSA-N 296.399 3.894 30 20 CHED C#CCOc1ccccc1OCCCCOC(C)(C)C 788786108 GCWIWEREVFLKIH-UHFFFAOYSA-N 276.376 3.673 30 20 CHED C=CCN1CCC(Nc2cccc(Cl)c2C(C)=O)CC1 881947167 FZHNSNUWSPFWJA-UHFFFAOYSA-N 292.810 3.605 30 20 CHED FC(F)(F)C1CCC(=NNc2ncncc2Cl)CC1 780281425 KGJCJCFIGOOHFB-UHFFFAOYSA-N 292.692 3.650 30 20 CHED C=CCCC[C@@H](NC[C@@H](C)CCO)c1ccccc1 883194278 RQYILSDSZIWZJQ-DOTOQJQBSA-N 261.409 3.692 30 20 CHED CC[C@@H](CC#N)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 787089232 HJDSEJPHKWKPAT-AWEZNQCLSA-N 297.358 3.543 30 20 CHED COc1ccsc1C(C)=NN[C@H](C)C(C)(C)C 793115342 MEEBFLWOTHRZRU-SNVBAGLBSA-N 254.399 3.505 30 20 CHED C#CCCNc1cc(F)c(OC(C)(C)C)c(F)c1 782221057 REBKDRJCTGHXSC-UHFFFAOYSA-N 253.292 3.577 30 20 CHED C#CCCCCCC(=O)OCCOc1ccccc1C 780256821 MFMKITQHUQSUAA-UHFFFAOYSA-N 274.360 3.501 30 20 CHED N#C[C@H](NC(=O)c1cccc(Cl)c1Cl)C1CCCC1 893704715 MRFRTIQXLWDVRU-LBPRGKRZSA-N 297.185 3.806 30 20 CHED C[C@H](C#N)OCCN[C@H](C)c1ccc(Cl)cc1Cl 385553536 QYQONFRQOVHYGD-NXEZZACHSA-N 287.190 3.573 30 20 CHED CCCOc1ccc(OC(=O)c2ccc(F)c(C#N)c2)cc1 788123866 KERAIRIAUCDKHA-UHFFFAOYSA-N 299.301 3.705 30 20 CHED Cc1cc(F)ncc1/C=C\C(=O)c1cnn(C(C)C)c1C 899368292 HPDZSAXHHCZYHT-WAYWQWQTSA-N 287.338 3.511 30 20 CHED C#CCC1(C(=O)Nc2ccc3c(c2)COC3)CCCCC1 788235360 FPYUPMZQFCLLFE-UHFFFAOYSA-N 283.371 3.629 30 20 CHED C=C1CCC(C(=O)Nc2cc(C(=O)CC)ccc2O)CC1 897809047 RBQKIPCQBKPIRI-UHFFFAOYSA-N 287.359 3.670 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1sccc1Cl 782288347 PNWVVCZEGZFWPU-NSHDSACASA-N 256.802 3.904 30 20 CHED C=CCCCN1CCC(COc2ccc(Cl)nc2)CC1 789312305 RAPQQRNMYRXRST-UHFFFAOYSA-N 294.826 3.792 30 20 CHED CCCCCCCCCC(=O)Nc1c(C#N)c(C)nn1C 892627965 PJSSYVJLAMRGNA-UHFFFAOYSA-N 290.411 3.679 30 20 CHED Fc1cc(C=NNC2CCCCC2)ccc1OC(F)F 786042876 BWHANMBDJNSZFL-UHFFFAOYSA-N 286.297 3.683 30 20 CHED CN(C)C(=O)c1cccc(/C=C\C(=O)C2CCCCC2)c1 899345228 IOTBPJBGYNYGHZ-QXMHVHEDSA-N 285.387 3.551 30 20 CHED COc1ccc(CCNN=C2CCC[C@@H](C)[C@H]2C)cc1 781126928 IWPXYYTYARSVLM-ZIAGYGMSSA-N 274.408 3.639 30 20 CHED CCCCCCCCC(=O)N[C@H](c1ncon1)C(C)C 788205113 MPRRYDVXTLTDCR-AWEZNQCLSA-N 281.400 3.634 30 20 CHED N#CC1CCC(CNC[C@H]2CCc3ccccc32)CC1 894245510 BQORFFHGFBIGLC-VMBOVVBDSA-N 268.404 3.636 30 20 CHED C=CCC[C@@H](C)Nc1ccc(Cc2nc(C)no2)cc1 897117974 CUXZNLWFOJHLAG-GFCCVEGCSA-N 271.364 3.735 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(-n2cncn2)cc1 793526711 NOMAMVVPBGHDLQ-INIZCTEOSA-N 298.434 3.882 30 20 CHED CC[C@@H](C)CON=C(C)c1cnn(C(C)(C)C)c1C 793158404 FGSBULBCVVFHLF-LLVKDONJSA-N 265.401 3.733 30 20 CHED CC[C@@H](C)NN=Cc1ccccc1OCc1ccccc1 790182497 DCAQBTPYIDXDQG-OAHLLOKOSA-N 282.387 3.988 30 20 CHED Cc1ccc(C(=O)N2CCCc3c(F)cccc32)cc1C#N 799345541 GPWYPXLSNOLFST-UHFFFAOYSA-N 294.329 3.599 30 20 CHED CC(=NNCCC(F)(F)F)C1C(C)(C)C1(C)C 794553580 UCKRBZISTNRDCP-UHFFFAOYSA-N 250.308 3.587 30 20 CHED Cc1cnn(C)c1/C=C1/COc2c(cccc2C(C)C)C1=O 794703778 VURDALUIFSTFOZ-JYRVWZFOSA-N 296.370 3.511 30 20 CHED CCc1cccc2c1OC/C(=C/c1ccccc1C#N)C2=O 794723366 FDQLHXVBZPDUFB-YBEGLDIGSA-N 289.334 3.779 30 20 CHED C=CCC1(NCc2ccc(C#N)cc2C)CCCC1 595780421 RNBRGTZPGHGHEE-UHFFFAOYSA-N 254.377 3.845 30 20 CHED Cc1cccnc1NN=Cc1ccc(Cl)c(F)c1 790192756 DIARBDPXWFBIIJ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C/C=C(/CC)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799446415 PCJYAUQELBNWHV-OQFOIZHKSA-N 298.264 3.752 30 20 CHED c1ccc(CCCNN=C2CCC[C@@H]2c2ccccn2)cc1 794909264 OUSWKJBWWUGKIQ-QGZVFWFLSA-N 293.414 3.928 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2cccc(F)c2[N+](=O)[O-])C1 790311293 ZJGKZZCBDJIGNG-WDEREUQCSA-N 279.315 3.958 30 20 CHED CC[C@H]1CCC[C@@H](NCc2cccc(OCC#N)c2)C1 68590232 SVEHTPVPVLORPB-GOEBONIOSA-N 272.392 3.647 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2cccc(CC#N)c2)CC1 573685434 MDPPOYIFJFLQIV-OAHLLOKOSA-N 268.360 3.828 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1ccc(O)cc1 1319113506 TYCBRZIPOJQNGM-WZUFQYTHSA-N 264.324 3.777 30 20 CHED CCc1ccc(C=NNc2ccc(C(C)(C)C)nn2)cc1 1322977089 ZGPACEWBFVUXSA-UHFFFAOYSA-N 282.391 3.783 30 20 CHED CC[C@@H](Nc1cccc(CC#N)n1)c1ccc(F)cc1F 1325709749 FECWFZGOMOAKRZ-OAHLLOKOSA-N 287.313 3.989 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(-n2ccc(C)n2)c1 1323458434 VKAPTRSXXZVKCD-CQSZACIVSA-N 297.402 3.655 30 20 CHED C=C[C@@](C)(CC)c1nnc(-c2ccc(OC)cc2)o1 1327006625 JPNZWJYPUDLLHL-HNNXBMFYSA-N 258.321 3.599 30 20 CHED CC(CCC(C)C)=NNc1ccc(C(C)(C)C)nn1 1328716320 SJEGZXHSFCVHLI-UHFFFAOYSA-N 262.401 3.998 30 20 CHED CC[C@H](C)N(C(=O)CC#Cc1ccccc1)[C@H](C)CC 1321214743 FJBSNQSHQFWUJA-IYBDPMFKSA-N 271.404 3.854 30 20 CHED C=CCC[C@@H](NCc1cccc(OCC#N)c1)c1ccco1 1323560658 OIBIDBQLIKWHAU-QGZVFWFLSA-N 296.370 3.979 30 20 CHED C#CCCCCCC(=O)N[C@H](CCC)C(C)(C)C 1326709397 XDBQLQSRWXVHJS-CQSZACIVSA-N 251.414 3.901 30 20 CHED N#Cc1cccc(-c2nnc([C@H]3CCCCC3(F)F)o2)c1 1327863489 FVMJUTPTELGPNW-GFCCVEGCSA-N 289.285 3.901 30 20 CHED C=C(C)CCC(=O)N(C)[C@H](C)Cc1cccc(F)c1 1339030822 SOSQZDPQDBTVFA-CYBMUJFWSA-N 263.356 3.571 30 20 CHED CC[C@H](Nc1cccc(CC#N)n1)c1cc(F)ccc1OC 1333849037 IBQGYVQPATVKTH-HNNXBMFYSA-N 299.349 3.859 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1 1336239111 UKYJAUWZZKBQQV-HNNXBMFYSA-N 296.370 3.912 30 20 CHED Cc1ccc2[nH]c(C(=O)NCCCCC#N)c(Cl)c2c1 1338563924 WXMCEUTXXIMAMU-UHFFFAOYSA-N 289.766 3.553 30 20 CHED C[C@@H](CC(=O)O[C@H](CC#N)c1ccco1)c1ccccc1 1347949454 WPUKNPKCBUIFKB-XJKSGUPXSA-N 283.327 3.971 30 20 CHED N#Cc1ccnc(/C=C/c2cnc(-c3ccco3)s2)c1 1346403854 YNSUMKINVCQAIP-ONEGZZNKSA-N 279.324 3.840 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cccc(-c2ccncc2)c1 1342731818 HLDWJNDVECEXLR-RDTXWAMCSA-N 282.387 3.600 30 20 CHED Cc1cc(CSc2ccc(Cl)cc2C#N)on1 1458969471 OLTPCLIOBXFAMV-UHFFFAOYSA-N 264.737 3.800 30 20 CHED N#Cc1cccc(COc2ccc(F)cc2F)c1F 219763989 CSNRCODAAUWNQZ-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC(C)[C@H]1CN(C(=O)Nc2sccc2C#N)[C@@H]1C(C)C 1467002767 ZVCWTAXQSCDWID-CHWSQXEVSA-N 291.420 3.764 30 20 CHED Cc1ccc(CSc2ccc(C#N)cc2)cc1C(=O)O 1600422187 DGQFNHKTICBBKA-UHFFFAOYSA-N 283.352 3.857 30 20 CHED CCO[C@@H]1C[C@H](Nc2cc(C)c(C#N)cn2)C12CCCCC2 1559104937 CEVUIOUJUXRPLW-JKSUJKDBSA-N 299.418 3.802 30 20 CHED N#Cc1ccnc(SCc2cccnc2C(F)(F)F)c1 1640854155 GLNKBLZNVLPYME-UHFFFAOYSA-N 295.289 3.659 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1645111188 MJVIJNNFEKYVLT-RYUDHWBXSA-N 270.376 3.960 30 20 CHED COC1(CNCc2ccc(C#N)c(C)c2)CCCCCC1 1658725264 MEEKTJTUGFYHIG-UHFFFAOYSA-N 286.419 3.696 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc(Cl)c(C#N)c1 1583221374 OZTAXQJORPUQNC-BZNIZROVSA-N 290.794 3.910 30 20 CHED Cc1cccc(C(C)(C)NCCc2ccc(C#N)cc2)c1 1657990607 WYSIIRBRWHYPQT-UHFFFAOYSA-N 278.399 3.934 30 20 CHED N#Cc1cccc(N(CCc2ccccc2)C2CCCC2)n1 1651114519 SLFLNRSRGJEVMD-UHFFFAOYSA-N 291.398 3.945 30 20 CHED CC[C@H](NCc1ccc(F)c(C#N)c1)[C@@H]1CC1(C)C 1659060113 UDUPOSFPPCMKBG-ZFWWWQNUSA-N 260.356 3.612 30 20 CHED Cc1ccc(F)c(COC(=O)c2ccc(C)c(C#N)c2)c1 1587487599 LVFMFZTUNKMNDN-UHFFFAOYSA-N 283.302 3.671 30 20 CHED N#Cc1ccc(CCN[C@H](c2ccccc2)C(F)F)cc1 1653679293 YNKGORSVXDBKJI-MRXNPFEDSA-N 286.325 3.697 30 20 CHED N#Cc1nccc(NC(c2cccs2)c2cccs2)n1 1651556923 CYQLBQIAKABEKM-UHFFFAOYSA-N 298.396 3.673 30 20 CHED COc1ccc([C@@H](C)Nc2nc(C#N)c(Cl)s2)cc1 1655041362 QHRJFGGJEREMJR-MRVPVSSYSA-N 293.779 3.850 30 20 CHED C=CCC[C@H](NCc1ccc(C(=O)O)n1C)c1ccccc1 1588779435 YAWFNTFSGCBQHQ-INIZCTEOSA-N 298.386 3.520 30 20 CHED C=C(CNC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1679150106 WEJADRLCOUVICN-HALDLXJZSA-N 286.419 3.824 30 20 CHED C#C[C@@H](C)NCc1ccc(-c2nc3ccccc3s2)o1 123111812 GIMFSPYUXYVSGX-LLVKDONJSA-N 282.368 3.668 30 20 CHED C=CCCCCCN1CCC(CC(F)F)(C(=O)O)CC1 1776173394 OLOFKXJRNUTJRV-UHFFFAOYSA-N 289.366 3.555 30 20 CHED O=C(O)c1ccc(NN=C2CCC3(CCCC3)C2)cc1 1776014522 UJFJXCBLYWKTCT-UHFFFAOYSA-N 272.348 3.897 30 20 CHED O=C(O)c1cc(NN=C/C=C\c2ccccc2)ccc1F 1776064237 DVILDSCBUSJICA-HMUYFDHHSA-N 284.290 3.635 30 20 CHED C=CCc1cccc(CN2CC3(CCCC3)C[C@H]2C(=O)O)c1 1776187475 YFHPQRNKRWCTQM-KRWDZBQOSA-N 299.414 3.634 30 20 CHED C=CCN(Cc1ccc(C)cc1)Cc1ccccc1C(=O)O 1776179983 WETDTQFNRCYYDU-UHFFFAOYSA-N 295.382 3.881 30 20 CHED CCC(CC)CNN=C(C)CCCCCCC(=O)O 1776056170 POKJLHVMHAZRQH-UHFFFAOYSA-N 270.417 3.813 30 20 CHED CC(C)CC[C@H]1CCC(=NNc2ccc(C(=O)O)nc2)C1 1776071300 PVFJCWZXVLABLB-LBPRGKRZSA-N 289.379 3.784 30 20 CHED C=CCCCCCN(C)CCC(=O)Nc1ccccc1F 150874078 OERBLUAIQROXRE-UHFFFAOYSA-N 292.398 3.833 30 20 CHED CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cn1 161062088 IROXQGFQDCQPNP-CYBMUJFWSA-N 293.370 3.568 30 20 CHED C[C@@H](NCCCCC#N)c1ccc2c(c1)CCCC2 162043893 HZHQIIKGIPKHEF-CQSZACIVSA-N 256.393 3.910 30 20 CHED CCCCCCCCN[C@@H](C)c1cnn(CC)c1 160817097 YWEKSSKRUSPVER-AWEZNQCLSA-N 251.418 3.914 30 20 CHED COc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1F 165809293 MQZZBTSXRNOFFL-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CCN(C(=O)[C@@H](C)c1cccs1)c1ccc(C#N)cc1 151935290 JUQCXNIVZCAQFK-LBPRGKRZSA-N 284.384 3.776 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1 152350495 OEVVEIJPHQMGDB-GJZGRUSLSA-N 280.371 3.505 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1c(C)n[nH]c1C)C2=O 157588879 PLWDVJLBHYZNGL-WULZRQGASA-N 266.344 3.718 30 20 CHED C[C@H](c1ccco1)N(C)CCCOc1cccc(C#N)c1 155797593 QAOOAACNBHDRFW-CQSZACIVSA-N 284.359 3.613 30 20 CHED C=CCCOCCNC(=O)c1ccccc1SC(C)C 155434700 ODWDGWNUTGUQQO-UHFFFAOYSA-N 293.432 3.510 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)oc1C 159310722 MQZNEEKIXXHZKX-GOSISDBHSA-N 296.370 3.541 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1C[C@@H](C)O 124922558 IHTACUKZWNJHIS-CVEARBPZSA-N 283.456 3.889 30 20 CHED CC(C)c1ccccc1NCc1cc(C#N)ccn1 901359410 ARBDORXQUFKMTA-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C#CCCCCCCN[C@H]1CCOC2(CCCC2)C1 877087375 KFQUCIZRSACHSC-INIZCTEOSA-N 263.425 3.652 30 20 CHED Cc1cc(C(=O)NC2(C#N)CCCCC2)ccc1Cl 135024096 BTQXECUUKQPEMS-UHFFFAOYSA-N 276.767 3.605 30 20 CHED Cc1ccccc1C[C@@H](C)NCc1ccc(C#N)cc1 37777071 VGRGYXHLNHQJQZ-OAHLLOKOSA-N 264.372 3.588 30 20 CHED CC(C)(NCc1cccc(C#N)c1)c1ccccc1 65275097 SXMONQOUTGYAPS-UHFFFAOYSA-N 250.345 3.583 30 20 CHED Cc1cccc(NCc2ccc(C#N)cc2F)c1F 181127364 FRFLBKWXIAXWJG-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC(C)C(C)(C)CNc1ncc(C#N)cc1Cl 302522002 YDBVLVXCWSSLHF-UHFFFAOYSA-N 251.761 3.701 30 20 CHED Cc1cc(C#N)cc(N[C@H](C)CCc2ccco2)c1 308110511 VCSQEAAUMJNCEJ-CYBMUJFWSA-N 254.333 3.893 30 20 CHED C#CCCCCNCc1csc(Cl)c1Cl 308853494 ILPCTSRWLBZKOL-UHFFFAOYSA-N 262.205 3.948 30 20 CHED N#Cc1cnc(NCCc2ccc(Cl)cc2)c(Cl)c1 608884907 MVJXEVZSKXMONK-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CN(Cc1ccc(Cl)s1)c1ncc(C#N)cc1Cl 608884955 SNHLSYLLAJXUKS-UHFFFAOYSA-N 298.198 3.958 30 20 CHED C=CCC[C@H](CO)N[C@@H]1CCSc2ccc(Cl)cc21 320335420 BVVUNUNAZLILAM-TZMCWYRMSA-N 297.851 3.794 30 20 CHED C=C(C)C(C)(C)C(=O)N(Cc1ccccc1)C1CC1 425522228 VGAOBEJVPRFFTH-UHFFFAOYSA-N 257.377 3.780 30 20 CHED CC[C@@H](C)C[C@@H](CC)NCCc1cccc(C#N)c1 467429824 NQCVMUWSXCYETE-RHSMWYFYSA-N 258.409 3.905 30 20 CHED CC(C)OC1CCC(N[C@@H](C)CC(C)(C)C#N)CC1 703830822 MPAHNOVSVRYSHU-NFOMZHRRSA-N 266.429 3.641 30 20 CHED N#Cc1cc(NCCc2cccs2)ccc1Cl 690182981 WECJGJQXFOUEPG-UHFFFAOYSA-N 262.765 3.928 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc3ccsc23)C1 386310315 AYWYDHMOZAOLBQ-UHFFFAOYSA-N 270.357 3.780 30 20 CHED C=CCN(Cc1ccccc1)C[C@@H](O)c1ccc(C)cc1 743261745 OTDIWQLHYILYBH-LJQANCHMSA-N 281.399 3.717 30 20 CHED CC(Cc1ccccc1C)=NNCc1ccccc1 743428228 PRETXYVFRGZRPC-UHFFFAOYSA-N 252.361 3.703 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CC=CC[C@H]1C 341680120 SSEYSYIXPXJCIQ-KGLIPLIRSA-N 262.397 3.520 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccsc1 50338776 VQOZRNZNXOMIMH-NSHDSACASA-N 258.346 3.824 30 20 CHED Cc1c(C#N)cccc1NC(=O)C(F)(F)c1ccccc1 178407689 ULAYBONFMBYPLG-UHFFFAOYSA-N 286.281 3.597 30 20 CHED CC[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 51637599 RHLQXEKFCRVDAN-HNNXBMFYSA-N 282.318 3.830 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cccnc1Cl 171080333 IHQADHOWGYNGPJ-UHFFFAOYSA-N 297.789 3.795 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cc(Cl)ccc2Cl)C1 179863677 ZYRYIRJNIHKGGX-WCBMZHEXSA-N 284.142 3.842 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1cnn(C(C)C)c1 179319833 DNOHSLUDFIXDQD-UHFFFAOYSA-N 296.418 3.746 30 20 CHED N#Cc1ccc(CNc2ccc3scnc3c2)c(F)c1 170642220 WMNONPCQYCEUID-UHFFFAOYSA-N 283.331 3.919 30 20 CHED N#Cc1cc(CN[C@@H](c2ccccc2)C2CC2)ccc1F 179699367 UKCRDXVANOGHCQ-SFHVURJKSA-N 280.346 3.938 30 20 CHED C=C(C)CNC(=S)N(C)c1cccc(C(C)C)c1 63178552 ROJDEECCLGYHNX-UHFFFAOYSA-N 262.422 3.697 30 20 CHED CC(C)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 175074414 ULZHJXDAXFUPEH-UHFFFAOYSA-N 296.395 3.848 30 20 CHED CC(C)c1nnc(S[C@@H](C#N)C2CCCCC2)n1C 115187717 KJGPBSQMKJMNHL-LBPRGKRZSA-N 278.425 3.503 30 20 CHED CCCNc1nnc(S[C@@H](C#N)C2CCCCC2)s1 115186422 JWNVRLMGQRXYDN-NSHDSACASA-N 296.465 3.925 30 20 CHED CCc1ccc([C@H](CO)N[C@H](C)c2cccc(C#N)c2)cc1 305779096 MWUKKQNLADRHKJ-KUHUBIRLSA-N 294.398 3.505 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(C(F)F)c1 117005064 MISXBYLPPDHBFF-SECBINFHSA-N 254.280 3.710 30 20 CHED Cc1ccc(CN(C)c2c(Cl)cccc2C#N)nc1 302700384 UQDQSEDJBKOXSP-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C=CCN(CC=C)C(=O)c1cc2cc(C)c(C)cc2o1 173030193 RIEOYMWAAKRKPU-UHFFFAOYSA-N 269.344 3.864 30 20 CHED CC[C@@H](C#N)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 122214380 MFBLBZBIVLELGI-STQMWFEESA-N 294.782 3.612 30 20 CHED CC(C)(C#N)CCOc1ccc(Br)c(C=O)c1 128706417 LKNCWEQHBMDYDH-UHFFFAOYSA-N 296.164 3.580 30 20 CHED COc1ccc(CN[C@@H](C)C(C)C)cc1OCCCC#N 119990157 AUYJFVBPHLYSHH-AWEZNQCLSA-N 290.407 3.512 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1cccs1 182640777 BKSWUHGMMRDGIC-VXGBXAGGSA-N 251.395 3.713 30 20 CHED CCCCCCCCC(=O)N1CCN(C2CCCC2)CC1 302986096 VEOQROQWCJVBAM-UHFFFAOYSA-N 294.483 3.824 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 177202422 RMGRNZQGPDRSCN-SUMWQHHRSA-N 298.411 3.582 30 20 CHED C=CCCCC(=O)N1C[C@H](CC)Oc2ccccc21 177896948 BPADTYPSJHGIJB-ZDUSSCGKSA-N 259.349 3.547 30 20 CHED CCn1ccc(CN(C)c2c(Cl)cccc2C#N)c1 302711404 KUPDHDMQEPMUOS-UHFFFAOYSA-N 273.767 3.669 30 20 CHED N#CCC[C@H](C#N)COc1ccc(Cl)c(Cl)c1 122650988 YNEMPNVSOVZXQM-SECBINFHSA-N 269.131 3.816 30 20 CHED C=CC1CCN(C(=O)Nc2ncc(CCC)s2)CC1 180817560 KZPIFARCYVFYCN-UHFFFAOYSA-N 279.409 3.526 30 20 CHED CC(C)(CNCc1ccc(C#N)o1)c1cccc(Cl)c1 174323485 ZDKAWCQXJJINGR-UHFFFAOYSA-N 288.778 3.872 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H](C)[C@@H](C)CC 180141338 KJGDTOIMMNWETB-UONOGXRCSA-N 275.392 3.550 30 20 CHED COc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)cc1 69087052 NNJCRVTUQBWDNY-GOSISDBHSA-N 292.382 3.904 30 20 CHED N#Cc1ccc(NC(=O)c2coc3ccccc23)cc1F 307928144 AJCXXYOQWOQLEN-UHFFFAOYSA-N 280.258 3.696 30 20 CHED COCCSCCCOc1cc(C)c(C#N)c(C)c1C 506417895 VEDTYMRRUIKYOX-UHFFFAOYSA-N 293.432 3.632 30 20 CHED C=CCCCC(=O)NCc1cccc2ccccc12 175238117 FDBCVPCJLPAFQA-UHFFFAOYSA-N 253.345 3.812 30 20 CHED C=CCCC(=O)NC1(c2ccc(OC)cc2)CCCC1 67727576 ZSVNLIDLSLBIGL-UHFFFAOYSA-N 273.376 3.547 30 20 CHED C=CCOc1ccccc1CNC(=O)c1cc(F)ccc1C 303441067 BYKFWIZYTHOHRD-UHFFFAOYSA-N 299.345 3.629 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 409643401 CFIHHCDYLQLGPI-LLVKDONJSA-N 295.289 3.704 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@H](C)c1ccc(OC)cc1 188450320 BIVVAWCZFHKBNI-KBXCAEBGSA-N 289.419 3.907 30 20 CHED C=C(Br)COc1cc(Cl)ccc1F 306331586 GCJYQZOTWVZXGW-UHFFFAOYSA-N 265.509 3.767 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc2ccccn2c1 73428705 NDGXFOAPOZGIBN-UHFFFAOYSA-N 297.402 3.731 30 20 CHED CCOc1cccc(/C=N/[C@H]2COc3ccc(C)cc32)c1O 121543546 OKUDHESHGDBGDS-RPJLVFAOSA-N 297.354 3.652 30 20 CHED COc1ccc(NCc2cc(C#N)cs2)c2cccnc12 121407469 GPFUEXCJOQEQAS-UHFFFAOYSA-N 295.367 3.789 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)cc2C#N)cc1 185233589 YTTPRNGJCYGHEC-UHFFFAOYSA-N 268.703 3.662 30 20 CHED C=CCC[C@H](CC)NCc1nc2cc(C)ccc2n1C 187575717 RKGMZWQXPPLYHR-AWEZNQCLSA-N 271.408 3.716 30 20 CHED CC(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2C#N)cc1 315044954 QSZIPTISPIFISR-UHFFFAOYSA-N 296.330 3.597 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2ccc(Cl)s2)C1 185783447 XCKIPCHPDDSIOQ-WDEREUQCSA-N 268.813 3.616 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2CCCS2)c1 126894344 QODOHGORQVSWAZ-JTQLQIEISA-N 286.322 3.885 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(OC)cc1OC 182768909 LKINUXFNJXTPBB-LBPRGKRZSA-N 292.379 3.570 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cccc2ccccc12 410147574 MAIMTRAMKYHAHT-MRXNPFEDSA-N 267.372 3.853 30 20 CHED C=CCC[C@H](C(=O)NC[C@@H]1CC12CC2)c1ccccc1 416041444 DKACEUGBOGNGMG-HOTGVXAUSA-N 269.388 3.653 30 20 CHED Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OCC2CC2)c1 185863292 HIGYDGDLZDZJDQ-FUHWJXTLSA-N 298.430 3.956 30 20 CHED CC(C)(C)OC(=O)CSc1ccc(Cl)cc1C#N 122235141 XTKWJMNYJURLMU-UHFFFAOYSA-N 283.780 3.645 30 20 CHED CO[C@H](CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 181552003 XYNOIUCIHOVCCL-RDTXWAMCSA-N 280.371 3.597 30 20 CHED N#CCCCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 126085610 BXMNPJFWBDXJRS-GFCCVEGCSA-N 299.201 3.750 30 20 CHED C=CCn1c(SC(CC)CC)nnc1-c1ccccn1 185621780 NGTQFZWWPBRNFX-UHFFFAOYSA-N 288.420 3.807 30 20 CHED COc1ccc(N(CCCSCC#N)C(C)C)cc1F 72515700 XYILCNDCSWJXGI-UHFFFAOYSA-N 296.411 3.696 30 20 CHED Cc1csc([C@H](NCc2ccc(C#N)cc2C)C2CC2)n1 186324215 ASQQTFODSFPHRH-MRXNPFEDSA-N 297.427 3.873 30 20 CHED CCC[C@H](C#N)N(C)C(=O)Cc1cccc(Cl)c1Cl 410832912 FIWMBYPTRIYDSI-LLVKDONJSA-N 299.201 3.687 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1c(F)cccc1Cl 181344322 AOZNFMBPNOMMDR-JTQLQIEISA-N 284.762 3.758 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(-c2ncco2)cc1 182607171 QBFJBEVZHWUQME-UHFFFAOYSA-N 285.347 3.772 30 20 CHED Cc1ncccc1CN[C@@H](CCC#N)c1ccccc1 130388443 ARAKTYLPDUZDRR-KRWDZBQOSA-N 265.360 3.525 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)cc1)C1CCCC1 129860014 QLHPOYBOHYKDAN-UHFFFAOYSA-N 256.349 3.713 30 20 CHED C[C@@H](CCNc1ncc(C#N)cc1F)c1ccccc1 413110146 RRAUDIQNDOPRGM-LBPRGKRZSA-N 269.323 3.698 30 20 CHED CCCCCCCCC(=O)NC[C@@](C)(O)c1ccsc1 131123742 GOGIWOXVVBEILJ-MRXNPFEDSA-N 297.464 3.822 30 20 CHED Cc1nc2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2o1 185861527 YWOIDQALMIXTIX-VXGBXAGGSA-N 255.321 3.631 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccsc2Br)C1 282426235 MDTAQFOYZGAFHQ-GXSJLCMTSA-N 299.237 3.683 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1cncs1)C2=O 130123516 CYWUVFJXFOECJH-YRNVUSSQSA-N 271.341 3.500 30 20 CHED N#CC1CCN(Cc2cscc2C(F)(F)F)CC1 336012039 RXLPKDSLAUFHFG-UHFFFAOYSA-N 274.311 3.502 30 20 CHED CCCC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 505788299 AIJWUHRTLCZHAR-ZDUSSCGKSA-N 276.767 3.601 30 20 CHED COc1ccc(/C=C/C(=O)c2cccs2)cc1C#N 132413717 HTRWHQDBBMTUQR-GQCTYLIASA-N 269.325 3.524 30 20 CHED CC1(C)CCCC[C@H]1/N=C(/O)c1ocnc1C1CC1 329312544 AKQSVEQQXILSCJ-LLVKDONJSA-N 262.353 3.825 30 20 CHED CCOc1ccc(C#N)cc1NCc1cc(C)ccc1OC 500974067 NEZYNPLFUXJGFM-UHFFFAOYSA-N 296.370 3.886 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)NCC1(C#N)CCC1 419642048 KAVVULPYRBKGJY-MRXNPFEDSA-N 297.402 3.535 30 20 CHED C=C(CC)CNCc1sccc1Br 87575545 BIEHYAHNWLJOBN-UHFFFAOYSA-N 260.200 3.566 30 20 CHED C[C@H](Oc1ccc(C#N)c(Cl)c1)c1nc(C2CC2)no1 190273022 LOIMOYBDKVEJHJ-QMMMGPOBSA-N 289.722 3.612 30 20 CHED C=C[C@@H](CC(=O)N1CCS[C@H](CC)C1)c1ccccc1 136782411 OPPVNMPLKCGVMG-GOEBONIOSA-N 289.444 3.700 30 20 CHED Cc1cccc(C(C)(C)NCc2cccc(C#N)c2)c1 130440642 XSBUEQNDFQZJSK-UHFFFAOYSA-N 264.372 3.892 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CCC1 191909208 RNGYCVGVFJQRAW-GJZGRUSLSA-N 293.451 3.690 30 20 CHED C=CC[C@H](C(=O)Nc1cc(OC)ccc1O)c1ccccc1 427641330 GIHYZMIBASHEPV-HNNXBMFYSA-N 297.354 3.699 30 20 CHED N#CCCN(CCSCc1ccccc1)CC1CC1 192610670 LWPYXWSDQKWYIL-UHFFFAOYSA-N 274.433 3.545 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1C[C@H]1C1CCC1)c1ccccc1 424887579 AQEODTIWNSTRDH-JLSDUUJJSA-N 283.415 3.899 30 20 CHED C[C@H](S[C@H](C)c1cccc(C#N)c1)c1cnccn1 190827747 LLDKFYSYKXKTCO-NEPJUHHUSA-N 269.373 3.904 30 20 CHED C=CCCOCCN[C@H](C)Cc1ccc(F)cc1Cl 421834598 KUUSTMFLQRNPPI-GFCCVEGCSA-N 285.790 3.592 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@H](C)C1CCCCC1)OCC 512739041 QMMSGQPWWLLWOH-ZBFHGGJFSA-N 281.440 3.785 30 20 CHED N#CCCn1ccc(N[C@@H]2CCCCc3ccccc32)n1 86154977 DYCFJUSXBFXIAD-MRXNPFEDSA-N 280.375 3.676 30 20 CHED C=CCN(CC=C)C(=O)CS[C@@H](C)c1ccc(F)cc1 194176529 HZKCUPCRXMKNGM-ZDUSSCGKSA-N 293.407 3.821 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)CCc1ccc(Cl)cc1 424663215 HSBYYWKGVQDHSP-UHFFFAOYSA-N 279.811 3.943 30 20 CHED Cc1c(NC(=O)C2(CC(C)C)CCC2)ccc(C#N)c1C#N 421551947 AXYAAVUHYBXPRD-UHFFFAOYSA-N 295.386 3.893 30 20 CHED CC(C)(C)CCCCNC(=O)NCc1ccc(C#N)s1 420785579 CULBJWJNHVZUOU-UHFFFAOYSA-N 293.436 3.635 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCCC[C@H]2c2ccccc2)C1 424333922 UVROVLWGPWETBK-LAVFITLUSA-N 268.404 3.995 30 20 CHED N#CCN(C(=O)/C=C/Sc1ccccc1)c1ccccc1 195122418 CIXGQNBKIVZIHM-SDNWHVSQSA-N 294.379 3.849 30 20 CHED C=CCn1c(C)nnc1N(C)Cc1ccc2ccccc2c1 337900224 IIOUCRFJRJQQCK-UHFFFAOYSA-N 292.386 3.562 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CC[C@H](C)C1 429739168 BSQHELCNEZKATP-FZMZJTMJSA-N 271.364 3.519 30 20 CHED C=C[C@H](C)/N=C(/O)c1cc(C(C)C)nc2onc(C)c12 330929940 OJGAPAANKVJFKW-VIFPVBQESA-N 273.336 3.534 30 20 CHED C=C1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 335678313 YONTXDWXPGHNCH-UHFFFAOYSA-N 284.334 3.613 30 20 CHED Cn1cc(C#N)cc1-c1nc([C@@H]2CCCC(C)(C)C2)no1 339509176 MDTSVVBYFNRMJO-GFCCVEGCSA-N 284.363 3.631 30 20 CHED CC(C)CCc1ccc(NC(=O)C(C)(C)C#N)cc1 519874371 HDJFIPDPLAJERW-UHFFFAOYSA-N 258.365 3.763 30 20 CHED Cn1cc(/C=C/C(=O)c2ccco2)c(-c2ccccc2)n1 92850498 VKHBDYLMSRBQAD-MDZDMXLPSA-N 278.311 3.576 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2cnccc2C#N)C1 94163110 HOJSPBLPCFAKEA-ZBFHGGJFSA-N 277.371 3.644 30 20 CHED N#Cc1cccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 531472527 ORDRAJVFZAKWGB-WDEREUQCSA-N 283.297 3.734 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C#N)s2)C1 336296131 HDKZBAJDYIGCLM-LLVKDONJSA-N 276.405 3.518 30 20 CHED Cc1nc(C)c(N/C(O)=N/CC(C)(C)C(C)C)s1 331318077 GWYAAVHQSIUFRE-UHFFFAOYSA-N 269.414 3.768 30 20 CHED N#Cc1cccc(OCc2ccc(Cl)cc2F)c1 162180826 HHIGTPWBCJKPSX-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC[C@H](CN(CCC#N)CC1CC1)c1ccccc1 513750715 NLCRDQFIFMPTJA-MRXNPFEDSA-N 256.393 3.806 30 20 CHED CO[C@H](C/N=C(/O)c1csc(C(C)(C)C)n1)C(C)(C)C 330941961 ZCARHWDLBZQPKJ-LLVKDONJSA-N 298.452 3.806 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(SC)c1C 438288573 FRNSKBIDAFZQKP-MRXNPFEDSA-N 293.432 3.884 30 20 CHED C=C(C)CN(CC)C(=O)Cc1c[nH]c2cccc(Cl)c12 431954898 OKKGRZAWGRMYMZ-UHFFFAOYSA-N 290.794 3.788 30 20 CHED C#CCCCCC(=O)N(Cc1ccc(F)cc1)C1CC1 179652546 OHRQRIDMCZFGIS-UHFFFAOYSA-N 273.351 3.510 30 20 CHED CCc1csc(N(Cc2ccc(C#N)cc2)C2CC2)n1 343793325 GXXCPTNRVGNREO-UHFFFAOYSA-N 283.400 3.746 30 20 CHED COc1cccc(N(CC(C)C)C(=O)CC(C)(C)C#N)c1 345905063 PPCXEPKJBRTLAG-UHFFFAOYSA-N 288.391 3.624 30 20 CHED C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)Oc1ccc(Cl)cc1 248706441 AVVMPCSMUCUQCK-UMVBOHGHSA-N 292.810 3.779 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3c(Cl)cccc32)C1 248998802 PWJSQSYDRLSJRB-HSMVNMDESA-N 274.795 3.999 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(F)c(Cl)c1Cl 432746360 ZUELZOKELQRSCL-MRVPVSSYSA-N 275.154 3.724 30 20 CHED C[C@@H]1C[C@H](CC(=O)NCC2(CC#N)CC2)CC(C)(C)C1 431183826 YTFOWJKQLWHRMQ-ZIAGYGMSSA-N 276.424 3.649 30 20 CHED N#Cc1ccc(OCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 344722701 QKLRZJDQXSFIIG-MJVIPROJSA-N 289.762 3.596 30 20 CHED C=CCOCCCN1CC=C(c2ccc(F)cc2)CC1 347958000 BEDSEUKYKXWPHJ-UHFFFAOYSA-N 275.367 3.508 30 20 CHED COc1ccc(OCC2(CC#N)CC2)cc1C(F)(F)F 601925536 NSYCWEMDWGTJRW-UHFFFAOYSA-N 285.265 3.787 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 604332699 ZUPKNFMXBITLHH-KRWDZBQOSA-N 290.366 3.782 30 20 CHED CC(C)(CCC#N)CN[C@@H](c1cncc(F)c1)C1CC1 348212530 GKKPASNFGDNRKF-OAHLLOKOSA-N 275.371 3.591 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(Cl)ccc1N(C)C 439513870 BLJAWQDTVTUIJO-LBPRGKRZSA-N 295.814 3.882 30 20 CHED CCN(CC1(CC#N)CC1)[C@H](C)Cc1ccc(OC)cc1 602774799 BJVQFONFXJKJBW-OAHLLOKOSA-N 286.419 3.642 30 20 CHED C[C@@H](CC#N)N[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 602870704 VSIBBLQVXRSWIE-WDEREUQCSA-N 289.766 3.948 30 20 CHED CCO[C@@H](CC(=O)Nc1sc(C)c(C)c1C#N)C(C)C 348417083 CSDGSNIVGFLMKB-ZDUSSCGKSA-N 294.420 3.626 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(OCC2CC2)c(F)c1 343579008 GCZDTAPFOSVGCX-LBPRGKRZSA-N 288.366 3.569 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1 255519197 NSPADICNVJDPRZ-XFVCYKSVSA-N 293.322 3.579 30 20 CHED Cc1ccn(-c2ccc(NCc3cc(C#N)cs3)cc2)n1 341229306 XEVXRSRLWGTMSU-UHFFFAOYSA-N 294.383 3.726 30 20 CHED C=CCCCSCC(=O)N[C@@H](C)Cc1ccccc1C 437268781 MXHAMUNXQAJUNM-HNNXBMFYSA-N 291.460 3.742 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(C#N)cc2)c1 255290771 UXUVUJKXIXQYSP-YFHOEESVSA-N 277.323 3.601 30 20 CHED N#CC1(CNCc2csc(C(F)(F)F)c2)CCC1 600164974 MOKGQZTXYJJQIF-UHFFFAOYSA-N 274.311 3.550 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3ccc(Cl)nc3)n2c1 255436529 GRDUASNKOYTZJL-PLNGDYQASA-N 297.745 3.587 30 20 CHED C[C@H]1CCCN([C@H](C)CNc2cccc(Cl)c2C#N)C1 603857273 HKQBHSSBJAMOJF-QWHCGFSZSA-N 291.826 3.744 30 20 CHED N#C[C@H](Sc1cc2c(cc1Cl)OCCO2)C1CC1 601077265 YTFWBGYOLSPLNH-ZDUSSCGKSA-N 281.764 3.505 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc2[nH]c(C)cc2c1 346166539 RRXZLMZECJCOKQ-HNNXBMFYSA-N 285.391 3.630 30 20 CHED CCOc1ccc([C@@H]2CCCN2CC2(C#N)CC2)cc1 343255497 XGBXOQRUJITAKI-INIZCTEOSA-N 270.376 3.526 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1)c1cccnc1 255753087 DGWOSICBSBGPEN-XQRVVYSFSA-N 261.683 3.770 30 20 CHED N#C[C@@]1(C(=O)NCCCC2CCCC2)CC12CCCC2 448647426 IERURGOAWVDMMZ-QGZVFWFLSA-N 274.408 3.547 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2c(C)nn(C)c2C)c1 255900610 DVFNSQVCIDWVIQ-HJWRWDBZSA-N 268.360 3.550 30 20 CHED C=CCC[C@@H](C)Nc1cc(C(=O)NCC)ccc1C 130645471 MPBOXMXDSYXPMZ-CYBMUJFWSA-N 260.381 3.511 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnc([C@@H](C)CC)nc1 358154665 RBQDOFZTYMFOBF-LBPRGKRZSA-N 273.380 3.697 30 20 CHED Cc1cc(CN2CCCC(C)(C)[C@H]2C#N)c(C)s1 444720698 UGKFZNAOVPPTRJ-CQSZACIVSA-N 262.422 3.879 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1ccc(F)cc1F 356473475 KEUDSVVOFHVUET-MNOVXSKESA-N 252.308 3.507 30 20 CHED C=C1CCN(Cc2ccc(OC)c(OCC(C)C)c2)CC1 353319110 BVKFRGZFFMYELJ-UHFFFAOYSA-N 289.419 3.882 30 20 CHED CC(C)C[C@H]1C[C@@H](Nc2c(F)cc(C#N)cc2F)CCO1 539611565 MGZFICYCZIESNE-STQMWFEESA-N 294.345 3.842 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)CCC2 602521643 PFARSQZWGXYGJE-AWEZNQCLSA-N 284.403 3.686 30 20 CHED CS[C@H](C)CCC(=O)N[C@H](C#N)c1ccccc1Cl 358401808 IZZDKLJISGEEJS-ZWNOBZJWSA-N 296.823 3.553 30 20 CHED COc1cc(C#N)ccc1OCCSCC(C)(C)C 440606276 UMMPRFWJQBTBBN-UHFFFAOYSA-N 279.405 3.725 30 20 CHED CN(Cc1cccc(C#N)c1F)[C@@H]1CCc2ccccc21 352865626 CXUZHONYAQKHPC-QGZVFWFLSA-N 280.346 3.817 30 20 CHED CCCCc1ccc(CC(=O)N2CCC[C@](C)(C#N)C2)cc1 612241891 GJQBWGORNKFMQU-LJQANCHMSA-N 298.430 3.724 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2cccc(C(F)F)c2)no1 351107672 JMWITYQZJRSXQL-NEPJUHHUSA-N 292.285 3.733 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2nc(C)cs2)CCCCC1 615961378 NLZGWTLZUYSKNN-ZDUSSCGKSA-N 292.448 3.950 30 20 CHED CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)C1(CC)CC 537313055 VVNTZJLMSIWDNZ-IAGOWNOFSA-N 286.419 3.632 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C\c1cc(Cl)cs1 447358148 ZPSPHRJOZUOIBU-RQOWECAXSA-N 290.731 3.537 30 20 CHED Cc1cc(CN=c2[nH]cc(C(C)(C)C)s2)ccc1C#N 446944079 NVTMNNMGRJMRTR-UHFFFAOYSA-N 285.416 3.655 30 20 CHED C=CCCC(=O)N1CCC(=Cc2ccccc2F)CC1 268252418 PPJJVKAULZVFOA-UHFFFAOYSA-N 273.351 3.798 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 617141986 FOLYVURGTLMCHT-SOUVJXGZSA-N 284.403 3.784 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc3nc[nH]c23)CCCC1(C)C 444635809 LNOZYZBIVREZAH-HNNXBMFYSA-N 297.402 3.770 30 20 CHED C=CCCC1(C(=O)N[C@@H](CC)CC(F)(F)F)CC1 356766890 LNBVZWZCGMBFJO-JTQLQIEISA-N 263.303 3.580 30 20 CHED C=CCC1(C(=O)Nc2ccc3n[nH]cc3c2)CCCC1 449230589 LGPHJVOLKBGNEC-UHFFFAOYSA-N 269.348 3.638 30 20 CHED C=CCCCCCN(C)C(=O)Nc1scnc1CC 269549624 PKPUASBTAOZBIS-UHFFFAOYSA-N 281.425 3.916 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 613372782 WUXWTVVHKREJNN-XJKSGUPXSA-N 298.386 3.744 30 20 CHED C=C(C)CCN[C@@H](C)CC(=O)Nc1ccc(C)cc1C 449477487 OZFHKCHSEYKEQY-HNNXBMFYSA-N 274.408 3.576 30 20 CHED Cc1ccc(C)c(C(=O)CSc2ccc(C#N)cn2)c1 352931709 BBEGUQPDPWIPRX-UHFFFAOYSA-N 282.368 3.545 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CCC#N 267078443 XLALNWGYCVHQJX-NEPJUHHUSA-N 250.773 3.677 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCC[C@H]1[C@H](C)CC)OCC 534396959 KUTNVHKJNCVYKQ-PMPSAXMXSA-N 281.440 3.785 30 20 CHED C[C@@H](OCCCNc1cccc(C#N)n1)c1ccccc1 265517337 LNYLVCMLTGLXSP-CQSZACIVSA-N 281.359 3.533 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 455529215 YDGMUAGKPJLDAK-FMQWLBJXSA-N 284.403 3.840 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CCSC1 360883359 NGIUAFITLCDLDC-WMLDXEAASA-N 286.444 3.668 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1C[C@H](C)Sc2sccc21 453354303 KUUBJBHEINJCPB-RYDUCSDGSA-N 281.446 3.607 30 20 CHED C[C@@H](C#N)CNCc1cccc(-c2ccccc2)c1 542696651 XFMHCHNHPPUBPE-AWEZNQCLSA-N 250.345 3.603 30 20 CHED CC[C@H](NCCCn1nc(C)cc1C)c1ccc(C#N)cc1 278247026 MGOXIMCAHMEFTL-SFHVURJKSA-N 296.418 3.503 30 20 CHED CC[C@H](NCC(C)(C)CCOC)c1ccc(C#N)cc1 278833073 UFNJWAPUABOCOF-INIZCTEOSA-N 274.408 3.662 30 20 CHED CC[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(C#N)cc1 278786016 QCVSKOIUCPPFKR-WNRNVDISSA-N 296.414 3.557 30 20 CHED Cc1cc([C@H](C)NC(=O)Nc2cccc(CC#N)c2)c(C)o1 455915341 HLMDSGPKCVRDLW-LBPRGKRZSA-N 297.358 3.845 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1ccccc1SC 454920956 SXOQEDDAQJBRFJ-LBPRGKRZSA-N 278.421 3.735 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(OC)c(Cl)c(OC)c1 458221745 MQOXWVHNRDENDD-OAHLLOKOSA-N 297.782 3.898 30 20 CHED C=CCCC(=O)N1CCC(c2cccc(F)c2F)CC1 364226460 MOPZPWJSNYOXPZ-UHFFFAOYSA-N 279.330 3.637 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1ccccc1SC 455386123 OWUAXZDIBFIHFB-UHFFFAOYSA-N 292.448 3.762 30 20 CHED C=CCC1(C(=O)N2CCc3c(F)ccc(F)c3C2)CCC1 276769528 JVGBUYUERRIBLS-UHFFFAOYSA-N 291.341 3.596 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H](C)c2ncc(C)s2)c1 273354012 VRHJOJLOVLLRSX-JTQLQIEISA-N 299.399 3.741 30 20 CHED CCCC(O)(CCC)CNc1cc(C(C)=O)ccc1C#N 542506923 NYYWXKUCZQNJBB-UHFFFAOYSA-N 288.391 3.504 30 20 CHED C#CC[C@@H](NCc1cccc(OC)c1OC)c1ccccc1 270174188 IDCCSDRHUWDBRO-QGZVFWFLSA-N 295.382 3.558 30 20 CHED CCSCC[C@@H](C)N(C)c1nc(Cl)c(C#N)s1 278657193 ISGSIDMTDZTSCW-MRVPVSSYSA-N 289.857 3.636 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 464404755 MTWIOIWDVXPFOC-JQEORGNBSA-N 297.185 3.720 30 20 CHED C=CCN(C(=O)Cc1nsc2ccccc12)C(C)(C)C 622945522 GQTZNFZSMNVNSQ-UHFFFAOYSA-N 288.416 3.652 30 20 CHED C=CCCCCCCCCNC(=O)[C@@H]1CC12CCOCC2 377124916 ZSBMMGITMIRVQG-INIZCTEOSA-N 293.451 3.836 30 20 CHED N#CCCCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 286621461 SBCWOAYADHTVHS-CQSZACIVSA-N 298.308 3.930 30 20 CHED C=CCCC(=O)COc1ccc(OC)cc1C(F)(F)F 629212556 HNSPAJIDPCZLFN-UHFFFAOYSA-N 288.265 3.628 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/CCc2c(O)cccc2C1=O 280922958 GOLBDZQLISYQGN-LCYFTJDESA-N 296.370 3.691 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1noc(Cc2ccccc2)n1 554867990 YEWJJAWCEPODEX-RRFJBIMHSA-N 299.418 3.912 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 467407366 XAOPLFDJXHJJAK-GXTWGEPZSA-N 286.419 3.922 30 20 CHED C=CCC(F)(F)c1nc(-c2cccc3[nH]ccc23)no1 556279327 YFEVFLIEYZJARD-UHFFFAOYSA-N 275.258 3.886 30 20 CHED COc1cccc(CN2CCCc3cc(C#N)ccc32)c1 555877324 CUSZUDVZEVJEGL-UHFFFAOYSA-N 278.355 3.520 30 20 CHED CCCCOc1ccccc1CN(CC)C[C@@H](C)C#N 468398364 WMSNKALKHZRDRQ-HNNXBMFYSA-N 274.408 3.847 30 20 CHED C[C@H](C#N)CN(C)C(=O)NC1CCC2(CCCCC2)CC1 469270441 LNKQCHVLGGLRRV-CQSZACIVSA-N 291.439 3.681 30 20 CHED C[C@@H](C(=O)N(C)C1CCCCCC1)c1cccc(C#N)c1 463242821 JLMWEUMABBCPSM-CQSZACIVSA-N 284.403 3.843 30 20 CHED C=CCCNC1(c2cccc(C(F)(F)F)c2)CCOCC1 555006442 FLDYGRVHULRCNM-UHFFFAOYSA-N 299.336 3.877 30 20 CHED N#CCCOCCN1CCCCC[C@H]1/C=C/c1ccccc1 559110436 MQMIEJZRMAQYLV-CVTTXWKISA-N 298.430 3.875 30 20 CHED C=C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 465144754 LSAFCGSZXINBMB-RYUDHWBXSA-N 282.387 3.597 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)c1cc(C#N)ccn1 553407032 UZADTHZBGULQPW-KRWDZBQOSA-N 279.387 3.719 30 20 CHED COc1ccccc1C[C@@H](C)Nc1ccc(OCC#N)cc1 387510675 MIVCOEJIHVLBTR-CQSZACIVSA-N 296.370 3.641 30 20 CHED C=C(C)CCc1noc(-c2cccnc2C(F)(F)F)n1 285250543 WWRKKBRJGUHHBW-UHFFFAOYSA-N 283.253 3.659 30 20 CHED CC(C)[C@H](C#N)NC(=O)C(C)(C)Cc1cccc(Cl)c1 464304839 BYIYRCSJLFGDDY-AWEZNQCLSA-N 292.810 3.573 30 20 CHED C=CCOCCCNC(C)(C)c1ccc(CC)cc1 470776072 CXMDRGAXPOOHPD-UHFFFAOYSA-N 261.409 3.666 30 20 CHED CCCCS[C@H](C)C(=O)N[C@](C)(C#N)C1CCCCC1 555905144 VXEQVLNDJPRWAG-CZUORRHYSA-N 296.480 3.887 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CCC[C@H](C(C)(C)C)CC1 551209743 KEFSASMDZDRRID-HNNXBMFYSA-N 299.418 3.550 30 20 CHED Cc1c([C@@H](NCCC#N)C(C)C)oc2ccccc12 298808220 FJFPEKIVGQRKIZ-HNNXBMFYSA-N 256.349 3.942 30 20 CHED CN1CCN(CCCCC(C)(C)C#N)[C@H](c2ccccc2)C1 389626708 DDXQIBAQUWHFSO-SFHVURJKSA-N 299.462 3.695 30 20 CHED CCN(CC#N)[C@H](C)c1ccc(C(F)(F)F)cc1 299444169 XPICZFZWTOUDBR-SNVBAGLBSA-N 256.271 3.612 30 20 CHED C=CCC[C@H](C(=O)N(CC=C)CCC#N)c1ccccc1 294013618 ZRKVWFLZQZXOCL-KRWDZBQOSA-N 282.387 3.665 30 20 CHED Cc1ccc(OC(=O)[C@]2(C#N)CC23CCCC3)cc1C 297771294 HFPUZCPMJXJKFI-QGZVFWFLSA-N 269.344 3.683 30 20 CHED CC(C)n1cc(C=NNc2ccc(Cl)cc2Cl)nn1 807953197 PHUUAKFJQHAGKH-UHFFFAOYSA-N 298.177 3.612 30 20 CHED C[C@@H](SCc1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C 479711260 YMLNCSDDXDLTFH-SNVBAGLBSA-N 295.379 3.661 30 20 CHED N#Cc1nc(F)ccc1OCc1cccc2ccccc12 808045063 PUCCDRZSAAJAJG-UHFFFAOYSA-N 278.286 3.825 30 20 CHED N#CCCC1CCN(C(=O)Nc2cccc3cc[nH]c23)CC1 564568316 PYOSHBGQZAFLHS-UHFFFAOYSA-N 296.374 3.716 30 20 CHED CN1CCCC[C@@H]1CCSc1cccc(F)c1C#N 565241211 SELCZHHZIOZWIS-GFCCVEGCSA-N 278.396 3.664 30 20 CHED N#Cc1ccnc(N2CCC(OCC3CCCCC3)CC2)c1 563642973 QBAOIYXRKQPWFT-UHFFFAOYSA-N 299.418 3.519 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](OC)[C@H](C)CC)c1 475612319 NVHRILRQZYJSHZ-CZUORRHYSA-N 291.391 3.641 30 20 CHED C=CCCCCCCNC(=O)Cc1ccc(F)cc1 805220561 WOIBSJNTHSFABG-UHFFFAOYSA-N 263.356 3.621 30 20 CHED C=CC1CCN(C(=O)C2CC(c3ccc(F)cc3)C2)CC1 645377117 GGKGUAXXEGUQKF-UHFFFAOYSA-N 287.378 3.744 30 20 CHED C=CCC[C@H](C)Nc1cccc(N2CCN(CC)CC2)c1 475087086 JJALSEDWJYNVCV-INIZCTEOSA-N 287.451 3.595 30 20 CHED COc1ccc([C@@H]2CCCN2c2ccc(C#N)c(C)n2)cc1 291648895 NMULMVLZDFNMDP-KRWDZBQOSA-N 293.370 3.612 30 20 CHED C=CCCCCCN(C)Cc1cnc(C(C)(C)C)nc1 560261562 QRDPUGBUKZVTBF-UHFFFAOYSA-N 275.440 3.952 30 20 CHED C=CCOCCCOc1cccc(OCC(F)(F)F)c1 478792928 BFLAEEZSPAQLIC-UHFFFAOYSA-N 290.281 3.599 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 644553135 KMXQVMQERNKGCT-YNEHKIRRSA-N 279.346 3.557 30 20 CHED CC[C@@H](CNc1c(C#N)cnc2c(Cl)cccc12)OC 567747302 CGYCQKLABNPBPY-NSHDSACASA-N 289.766 3.597 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 473934069 TXFUHHZFCXAAGR-LLVKDONJSA-N 290.338 3.850 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(OCCC)cc1C 299309195 RYVRSJUVRQKWJZ-CQSZACIVSA-N 291.391 3.704 30 20 CHED C#Cc1cncc(C(=O)N(C)[C@H](C)c2ccccc2Cl)c1 806425035 SEWPGUIEOLAVJB-GFCCVEGCSA-N 298.773 3.550 30 20 CHED C#CCCCc1nc(-c2cc(Cl)cc(Cl)c2)no1 809285518 LXPNXGLJWJPDAO-UHFFFAOYSA-N 281.142 3.999 30 20 CHED C[C@@H](C#N)OCCSCc1cccc(C(F)(F)F)c1 802750159 YUDZHFBQCBENNV-JTQLQIEISA-N 289.322 3.867 30 20 CHED C=C(CC)CNC[C@H](O)c1ccc(Cl)cc1Cl 819357654 UQHUIXGMQNXTST-ZDUSSCGKSA-N 274.191 3.583 30 20 CHED CCCOc1ccc(-c2ccccc2C(=O)O)cc1C#N 567978621 MODGZKOGGLXZES-UHFFFAOYSA-N 281.311 3.712 30 20 CHED N#Cc1ccccc1COc1cc(F)c(Cl)cc1C=O 814781391 IBLRMEDMMUSBND-UHFFFAOYSA-N 289.693 3.742 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1csc(-c2ccccc2)n1 488840281 OHIVVCYKFMFHHO-AWEZNQCLSA-N 298.411 3.991 30 20 CHED CCOc1ccc(C(C)=NOC/C=C\Cl)cc1OCC 811671805 XGTHROBRYXFPNY-FUMQGXJOSA-N 297.782 3.977 30 20 CHED C=CCN(C(=O)c1nc2ccccc2cc1Cl)C(C)C 812895736 KLHZQLVABJULHB-UHFFFAOYSA-N 288.778 3.925 30 20 CHED C=CCCC(=O)COC(=O)CCCc1ccccc1Cl 811350819 WLMAQXXVWUYJAW-UHFFFAOYSA-N 294.778 3.741 30 20 CHED Cc1cccc(C(=O)/C=C\c2cn(C)nc2C(F)F)c1 812240836 ULBDCTITXNUOEH-SREVYHEPSA-N 276.286 3.562 30 20 CHED N#Cc1c(F)cccc1/C=C1\CCc2sccc2C1=O 811689980 QJIKYYJLGKKKKW-DHZHZOJOSA-N 283.327 3.971 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCOc1ccc(F)cc1 487535920 ITFWQIMPKYQXTQ-AWEZNQCLSA-N 298.361 3.769 30 20 CHED C=CCn1c(C)nnc1SCC[C@@H]1CCc2ccccc21 657230291 QRMPSUORWDZICF-HNNXBMFYSA-N 299.443 3.985 30 20 CHED OCCC[C@@H]1CCCCC1=NNc1ccc2ccccc2n1 814697182 CECKFQAFTZNBAG-AWEZNQCLSA-N 297.402 3.965 30 20 CHED CC1(C#N)CN(Cc2nc(C3CCCCC3)cs2)C1 579022132 PRWKIFDMUVYSQU-UHFFFAOYSA-N 275.421 3.536 30 20 CHED COc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1O 811699450 UQLMUWUSZPKHLU-VOTSOKGWSA-N 290.265 3.575 30 20 CHED C(=NN(Cc1ccccc1)c1ccccc1)[C@H]1CCOC1 812372571 LMNYLJPPJHRUSU-QGZVFWFLSA-N 280.371 3.716 30 20 CHED CC#CCCNC(=O)N(C)Cc1c(Cl)cccc1Cl 483430361 JBMNDYMUWXBJGM-UHFFFAOYSA-N 299.201 3.548 30 20 CHED C=CCC(F)(F)C(=O)NC[C@@H](c1ccccc1)C(C)C 815005468 KOHUAVYABAXAAO-CQSZACIVSA-N 281.346 3.754 30 20 CHED CON=Cc1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 727255006 ATPGWRNJTXWVFX-UHFFFAOYSA-N 294.301 3.676 30 20 CHED N#CCC[C@@H](C#N)CNC1CCC(c2ccc(F)cc2)CC1 575474344 WGHVUWBJHHMSNF-NXVRBGIVSA-N 299.393 3.885 30 20 CHED C#CCN(C(=S)Nc1cccc(C(C)C)c1)C1CC1 491697500 KWZXFCVJXCRSCR-UHFFFAOYSA-N 272.417 3.604 30 20 CHED C#CCCCOC(=O)c1sc(C)nc1-c1ccccc1 727040988 PNHVMYRWOPAQMZ-UHFFFAOYSA-N 285.368 3.689 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2Nc2cc(C#N)cc(C)n2)cc1 588039307 MIHZMDFEQYNPON-DLBZAZTESA-N 293.370 3.628 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(N2CCCC2)cn1 582683826 LUEFCHOKCMPDRU-KBPBESRZSA-N 259.397 3.694 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1 581951963 TVVAHGURZFIYAC-FJIDUMEYSA-N 296.414 3.708 30 20 CHED Cc1ccc2[nH]c(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2c1 584031201 DPCRQWSQLWGFII-INIZCTEOSA-N 295.386 3.631 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@H]1C1CCC1 582907798 MTXWSPBOMRAIJX-ZWKOTPCHSA-N 299.414 3.646 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C(=O)C#Cc1cccs1 826528734 JGSQYXXWADXKEW-INIZCTEOSA-N 297.423 3.579 30 20 CHED C=C1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 731026499 FADUVMQDHOFXAT-UHFFFAOYSA-N 293.292 3.805 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)CCc2ccco2)C1 660254643 OKJAKTWGUUEIKV-CABCVRRESA-N 290.407 3.598 30 20 CHED C=CCCCCN[C@@H]1CCc2c1ccc(OC)c2F 583588149 QVXOKIMTTIZYDZ-CQSZACIVSA-N 263.356 3.768 30 20 CHED C=CCC1(NC(=O)Nc2ccc(F)cc2F)CCCC1 664402344 CLXIQAXMUJQDIG-UHFFFAOYSA-N 280.318 3.975 30 20 CHED CC[C@@H](NC[C@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 903009061 XOEWCRUNZIOCAS-FUHWJXTLSA-N 298.430 3.948 30 20 CHED CCCCn1nc(C)c(CNCC(C)(C)CC#N)c1Cl 839163863 UDAIVZJCTACPHU-UHFFFAOYSA-N 296.846 3.675 30 20 CHED C#CCOc1ccccc1OCc1ccccc1Cl 730566986 QEQXNWKLEBJJMW-UHFFFAOYSA-N 272.731 3.931 30 20 CHED C[C@H](CC(C)(C)C)OC(=O)c1ccccc1OCC#N 835702559 DXPIRESFKJZHQG-GFCCVEGCSA-N 275.348 3.570 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1ccc2c(c1)CCO2 834874253 INARUZZTYVUPIF-XQRVVYSFSA-N 268.287 3.657 30 20 CHED C#CC(C)(C)N(C)CCC(=O)Nc1cccc2ccccc12 839580003 DSSQAOZZHUSJKK-UHFFFAOYSA-N 294.398 3.512 30 20 CHED Cc1cccc2c1CCC2=NNc1cnnc2ccccc12 733748159 JMCCBUKCSVEORH-UHFFFAOYSA-N 288.354 3.701 30 20 CHED C=CCON=CC(CC)(CC)CNC(=O)OC(C)(C)C 835016081 VTRFOYCVHTUSII-UHFFFAOYSA-N 284.400 3.506 30 20 CHED Cc1ccc(CCN[C@H]2CCc3ccc(C#N)cc32)c(C)c1 580803881 WXCCZRFTOGCDQK-FQEVSTJZSA-N 290.410 3.995 30 20 CHED COc1ccc2c(c1)N(Cc1ccc(C#N)s1)CCCC2 589516998 JJTRLWHQYYNCBI-UHFFFAOYSA-N 298.411 3.971 30 20 CHED C[C@@H]1CC(=NNC2CCCC2)CCN1Cc1ccccc1 734299214 KJQWQJYPLSVULP-OAHLLOKOSA-N 285.435 3.559 30 20 CHED C=CCC1(C(=O)OCc2nc(C(C)(C)C)no2)CCCC1 835357707 UGJZBOIKXVBFSU-UHFFFAOYSA-N 292.379 3.547 30 20 CHED CCCCCCCCC(=O)NCCc1ccc(C)nc1 732148685 UZIIQXRUPXOCPV-UHFFFAOYSA-N 276.424 3.799 30 20 CHED C[C@@H](C1CC1)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 581111823 DWVBUQXYMFLYAD-LBPRGKRZSA-N 297.320 3.667 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1cccc(OC(F)F)c1 588523793 XIHVYOSGQFWFDI-XQRVVYSFSA-N 293.244 3.718 30 20 CHED CC(C)CC[C@H]1CCC(=NNCCc2ccncc2)C1 834975690 CUOUIZPMLYEQHW-INIZCTEOSA-N 273.424 3.806 30 20 CHED C=CCCCOC(=O)C1(c2ccccc2C)CCOCC1 735531932 IDDFHHNACBHLNL-UHFFFAOYSA-N 288.387 3.553 30 20 CHED C=CCC1(CNC(=O)Nc2cnn(CCC)c2)CCCC1 836431595 PODGGXKBDJGBIS-UHFFFAOYSA-N 290.411 3.551 30 20 CHED CCC(=NNc1nc(O)c2ccccc2n1)C1CCCC1 834962124 VCJPNGQFIBHUQF-UHFFFAOYSA-N 284.363 3.704 30 20 CHED C=CCC[C@H](NC[C@@H](O)CCc1ccccc1)c1ccco1 583016254 PQEOVDDORSFFQI-ROUUACIJSA-N 299.414 3.870 30 20 CHED Cc1cc(C)cc([C@H](C)/N=C\c2ccc(O)c(O)c2O)c1 730434105 FWMSQLDRJJHAOV-PGQWVYTBSA-N 285.343 3.600 30 20 CHED CCc1nocc1/C=C\C(=O)c1ccc(C)c(C)c1 834398170 BQCORUGBIQJPQL-FPLPWBNLSA-N 255.317 3.750 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(C#N)cc1F 595058310 HEDQFRZRILQWOV-LBPRGKRZSA-N 278.396 3.657 30 20 CHED CCOCc1ccccc1C/N=C/c1cc(OC)ccc1O 914600406 UIIQJMGQENGNRV-XDHOZWIPSA-N 299.370 3.556 30 20 CHED N#CC[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 596320645 AKHBTHKBWUQYOV-LBPRGKRZSA-N 292.342 3.506 30 20 CHED Cc1nc(N2CC[C@H](C3CCC3)C2)c(Cl)cc1C#N 591204037 ADMCBBICSOGSOT-LBPRGKRZSA-N 275.783 3.542 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@H](C)c1cnn(C)c1 749921976 YLALITPVWLNXTO-CABCVRRESA-N 293.455 3.636 30 20 CHED C=CCN(C(=O)c1nc(-c2ccccc2)cs1)C(C)C 915854313 CJLYIHJSXWQMGS-UHFFFAOYSA-N 286.400 3.847 30 20 CHED CCc1ccccc1NN=Cc1cc(C#N)cs1 748074821 BBWWMKJNGDOZCS-UHFFFAOYSA-N 255.346 3.628 30 20 CHED C=C(Cl)CN1C[C@H](C)C[C@H]1c1cccc(F)c1 743854874 QGYOLRZMJHFMTO-YGRLFVJLSA-N 253.748 3.961 30 20 CHED C=C(C)CCOC(=O)c1ccccc1Oc1cccnc1 744303841 ZVPJVDLAMHEASV-UHFFFAOYSA-N 283.327 3.997 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](CC1CCCC1)c1ccccc1 593546640 IDJKWPGUZPHPBQ-NVXWUHKLSA-N 284.403 3.974 30 20 CHED CC(C)C[C@H]1CCCN1c1nc(C#N)c(Cl)s1 596098699 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COC(=O)C[C@H]1CCC(=NNc2cc(C)cc(C)c2)[C@@H]1C 794480562 LMRHNTDCTHOHMG-ZIAGYGMSSA-N 288.391 3.681 30 20 CHED CC[C@@H](C#N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 593411472 NZGWHSOVCZNXQZ-JTQLQIEISA-N 285.174 3.502 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 769400482 YMDVRYXGJQYPOZ-GJZGRUSLSA-N 263.425 3.757 30 20 CHED CCC#C[C@@H](C)N[C@@H](C)c1ccc(F)cc1OC(F)F 1319812469 MSUTWIJAFYXBTL-MNOVXSKESA-N 285.309 3.880 30 20 CHED CCCCCCCSCc1nnc2n1CCCC2 1321311809 OQHQNDRVYYTHAM-UHFFFAOYSA-N 267.442 3.818 30 20 CHED C[C@@H]1CC/C(=C/c2nnc(COc3ccc(C#N)cc3)o2)C1 1327786501 XKYVMFDNWBEVAX-OJLMPMFISA-N 295.342 3.724 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2occ(C)c2C)cc1 1321879347 FLGRXAZULFQBAR-UHFFFAOYSA-N 282.343 3.765 30 20 CHED N#CCc1cccc(N[C@@H]2CCc3ccc(Cl)cc32)n1 1331332215 BKMHAUMVCUWDGZ-OAHLLOKOSA-N 283.762 3.900 30 20 CHED N#Cc1cnc(Nc2ccc(C(F)F)cc2)c(F)c1 1187765642 MBKILRNOENVENV-UHFFFAOYSA-N 263.222 3.774 30 20 CHED CO[C@@H](CNc1ncc(C#N)cc1Cl)C1CCCCC1 1652081823 PJCYPQWIACAYCO-AWEZNQCLSA-N 293.798 3.614 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)cc1F 1264024843 QKKTUVVILAHWEO-LBPRGKRZSA-N 294.329 3.679 30 20 CHED Cc1cc(NC(=O)NCc2cccc(C#N)c2)ccc1Cl 1191731850 DVQFOIDDAPNBGP-UHFFFAOYSA-N 299.761 3.842 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCC3)Cc2cc(O)ccc21 1343145082 ZNJFSXIFSJUQHQ-CXUHLZMHSA-N 276.335 3.703 30 20 CHED N#CC1(COC(=O)/C=C\c2cc(Cl)cc(Cl)c2)CC1 1344784208 BFAOYHJMNPAAEU-UPHRSURJSA-N 296.153 3.854 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1cc(C#N)ccc1F 1355183506 UURYHQHRQCCZIQ-CYBMUJFWSA-N 276.355 3.786 30 20 CHED Cc1nocc1NC(=O)c1sc2ccc(C#N)cc2c1C 1437254806 XJIZCJSWPIVCKT-UHFFFAOYSA-N 297.339 3.630 30 20 CHED Cc1nc(NCc2ccc(-c3cnco3)cc2)ccc1C#N 1458679024 MFVJHFLGCBYYOB-UHFFFAOYSA-N 290.326 3.529 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N(CCC#N)CC(C)C 1464509096 XUWKCTUVWQAGFQ-UHFFFAOYSA-N 290.407 3.897 30 20 CHED C=CCCC[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)C(=O)O 1602863730 SIHPXEHKCNYODG-UONOGXRCSA-N 295.423 3.519 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 1539790955 KFKNOYMHQTXURY-DAXOMENPSA-N 271.360 3.845 30 20 CHED Cc1ccc(CSc2ccc(C#N)cn2)c(C)c1 1613467432 ZRXZVNGRSUIQGH-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CC(C)c1cnc(Sc2cccc(F)c2C#N)[nH]1 1612628067 LHZLKIDQXLBSCP-UHFFFAOYSA-N 261.325 3.695 30 20 CHED CC(C)(C#N)CNC(=O)c1cc2cccc(Cl)c2s1 1611441941 VOAMMMXUMRRSHZ-UHFFFAOYSA-N 292.791 3.834 30 20 CHED CCCCCCCCCCCC(=O)N1CCC(N)CC1 115854196 LXPVJVMVJNHIBX-UHFFFAOYSA-N 282.472 3.857 30 20 CHED CO[C@H](CNc1cc(C)cc(C#N)c1)Cc1ccccc1 1621390097 JJKLHDIBECDWTI-SFHVURJKSA-N 280.371 3.536 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1cccc(C#N)c1 1563421712 IJEUVPMMFCUORL-SJORKVTESA-N 299.418 3.574 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 1646024075 UNCGPLVMIAAGJN-NSHDSACASA-N 284.290 3.716 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2c3cccc(F)c3CC[C@@H]2C)n1 1642359832 WXJDLVDWWOIGPA-BTDLBPIBSA-N 296.349 3.531 30 20 CHED CC(C)[C@H](CNCc1cccc(C#N)n1)Cc1ccccc1 1652238457 JTCJZWCAMRTHOC-KRWDZBQOSA-N 293.414 3.558 30 20 CHED C[C@H](c1nccc2ccccc12)N1CCC[C@H](CC#N)C1 1652813075 WZCYNFUFEOAILG-HUUCEWRRSA-N 279.387 3.921 30 20 CHED C[C@H]1CCCC(=NNc2ccc(C(=O)O)cc2)CC1 1776012537 VBMKSXLOEJRRMS-NSHDSACASA-N 260.337 3.753 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@H]2CCC=CCCC2)C1 1776153561 KSGPDZOKYXJFDG-WMZOPIPTSA-N 291.435 3.866 30 20 CHED CC[C@H](C)[C@H](C)NCc1ccc(C#N)cc1Cl 162648017 CRTRIVBCQGQWMP-QWRGUYRKSA-N 250.773 3.736 30 20 CHED C=CC[C@H](C)NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 152254131 MTWZEGFODLNXOR-VIFPVBQESA-N 276.767 3.824 30 20 CHED CC(C)OC1CCC(N[C@@H](C)c2ccc(C#N)cc2)CC1 155166616 SIMIMLQAAQBRNA-NNGSBXSVSA-N 286.419 3.945 30 20 CHED C=C(C)CSCc1nc(C(F)(F)F)cs1 155639616 GZFSYXWFKYATPV-UHFFFAOYSA-N 253.314 3.971 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(F)c(Cl)c1 155646534 SDJHDYHEIHTCQR-NSHDSACASA-N 271.763 3.722 30 20 CHED COc1cc(C#N)ccc1CSc1ncccc1Cl 154956692 VRTRLOQRWHQIRN-UHFFFAOYSA-N 290.775 3.908 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NC2CCCCCC2)c1 124729405 UEZKOOKCYIOAHJ-UHFFFAOYSA-N 259.309 3.601 30 20 CHED C#C[C@H](NC(=O)c1ccccc1C(C)C)C(C)(C)C 854478635 BGUHRAXNZCSTFW-HNNXBMFYSA-N 257.377 3.588 30 20 CHED CC(C)CCN(C(=O)Nc1ccc(C#N)cc1)C1CC1 45032350 HCLNNHCNCUWMSB-UHFFFAOYSA-N 271.364 3.601 30 20 CHED C[C@H](Cc1ccsc1)N[C@H](C)c1ccc(C#N)cc1 49154491 JXEHIZOXOLETRB-CHWSQXEVSA-N 270.401 3.902 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 463246464 CVJHTJMUTDONOL-YTQUADARSA-N 286.463 3.984 30 20 CHED C=CCCC[C@@H](C)NCc1cc(COC)cs1 657429398 SOHKRALOYFXGRV-GFCCVEGCSA-N 253.411 3.729 30 20 CHED N#CCC1(CN(Cc2ccccc2)Cc2ccco2)CC1 602766435 JSFAKBJSXKZVIN-UHFFFAOYSA-N 280.371 3.976 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C)C1 345077734 ZEMDNMQUQRVBCN-HOCLYGCPSA-N 257.377 3.637 30 20 CHED Cc1cc(C)cc(CNCCc2cccc(C#N)c2)c1 466417360 PEJAUPFCACGPIY-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C[C@@H](C#N)CN(C)CCc1cc(Cl)cc(Cl)c1 447349954 YNFVJBPEHKHIQH-JTQLQIEISA-N 271.191 3.627 30 20 CHED C=CCCCCCN(Cc1ccccc1)C[C@@H](C)O 559001231 DRTGFIUJYMOOGZ-MRXNPFEDSA-N 261.409 3.616 30 20 CHED Cc1cccc(C)c1NCc1ccc(CC#N)cc1 342441861 SXCFOTFDHSHFOV-UHFFFAOYSA-N 250.345 3.982 30 20 CHED CCCCCCCNCc1ccc(-n2cccn2)cc1 703709736 YRNDAFWIGATGNT-UHFFFAOYSA-N 271.408 3.932 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1cc(C(=O)O)c(C)o1 692254167 MOQBXSBWBCOYQJ-SWLSCSKDSA-N 277.364 3.511 30 20 CHED CCN(CC1(C#N)CC1)c1cccc2ccccc12 595802143 WVPZDAGOJGCUQI-UHFFFAOYSA-N 250.345 3.970 30 20 CHED C=C(C)CSCC1CCN(C(=O)OC(C)(C)C)CC1 767214674 JGBFKBSTCFDCHY-UHFFFAOYSA-N 285.453 3.943 30 20 CHED Cc1cc(=O)oc2cc(OCc3cccc(C#N)c3)ccc12 6421309 JHBCKIQBGOPPFZ-UHFFFAOYSA-N 291.306 3.552 30 20 CHED CCCCCCCCN1CCC[C@H](CCC(=O)O)C1 109514811 AEPLGKZREQTAOK-OAHLLOKOSA-N 269.429 3.924 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(Cl)cc1Cl 58575358 NLLMYEMZWYDNJK-VIFPVBQESA-N 257.164 3.727 30 20 CHED C/C(=C\C(=O)Nc1cc(C#N)ccc1OC(C)C)C1CC1 56213850 VNBOZLPDUVDBPA-XYOKQWHBSA-N 284.359 3.640 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 174295358 OFQXPQHZIOQIFF-HOCLYGCPSA-N 285.387 3.656 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH]nc1C(C)(C)C)C2 170985764 JCLZOHHMOKUSQB-UKTHLTGXSA-N 280.371 3.838 30 20 CHED N#C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 176081839 FXYLHKIIBUZOGO-KSZLIROESA-N 291.350 3.789 30 20 CHED C#CCCCCC(=O)Nc1ccc(CC(F)(F)F)cc1 119900663 GGOIFFLUMCLREN-UHFFFAOYSA-N 283.293 3.924 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccsc2)cc1 171541831 YFVHLFJSXRAODQ-NTYUQYKDSA-N 283.352 3.935 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)[C@@H](C)CC)c1 67319105 OKSZIPGWLMVMFI-ZDUSSCGKSA-N 276.380 3.904 30 20 CHED CCOC(=O)C[C@H](C)S[C@H](C#N)C1CCCCC1 115198068 AYRZIZDLXZSKNX-WCQYABFASA-N 269.410 3.534 30 20 CHED CCC[C@H](C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 171919302 ONFYSDQQRHDCMC-KBPBESRZSA-N 272.392 3.904 30 20 CHED N#CCCCSc1nnc(NC2CCCCC2)s1 21739511 ULEXMAJHFGJJRI-UHFFFAOYSA-N 282.438 3.679 30 20 CHED CCCCN(C)CC1CCN(c2ccc(C#N)cc2)CC1 301060909 DILHCTBYTBJWNO-UHFFFAOYSA-N 285.435 3.507 30 20 CHED Cc1ccc([C@H]2[C@H](C)CCCN2c2ccc(C#N)nn2)cc1 301970132 RAUBIFZFXWEHDA-RDTXWAMCSA-N 292.386 3.634 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 115972505 QNVSJZMHQZUAME-RYUDHWBXSA-N 298.292 3.579 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)Cn1ccnc1 59487447 WHTYSHKBKKSONJ-LSDHHAIUSA-N 251.418 3.610 30 20 CHED C[C@H]1Cc2ccccc2[C@H]1NCC(C)(C)CCC#N 348213347 ITHHDMWEKRTBLG-BBRMVZONSA-N 256.393 3.839 30 20 CHED C=CCC[C@H](NCc1ccc(OC)c(OC)c1)C1CC1 119807093 YZDGKTVHPZZWNA-HNNXBMFYSA-N 275.392 3.538 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1ccccc1F 303457234 MTNIKIKROZHEFL-UHFFFAOYSA-N 289.394 3.963 30 20 CHED C=CCCCC(=O)Nc1ccc(NC(=O)OCC)cc1 175333682 OQHTTYJIAUGACO-UHFFFAOYSA-N 276.336 3.550 30 20 CHED O=C(C#Cc1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 176077317 GKIAXGOMAGCMMY-GOSISDBHSA-N 293.341 3.541 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc(Oc2ccccc2)cc1 113695084 HAJHTDHHLICKOV-ZDUSSCGKSA-N 281.311 3.938 30 20 CHED C=C(CC)COc1cc(F)c([N+](=O)[O-])cc1Cl 304400400 OBOFEYRKYCNBMW-UHFFFAOYSA-N 259.664 3.732 30 20 CHED CCCc1nc(CN(CCC#N)CCC(C)C)cs1 173542826 ITGMDTOPPDBRKS-UHFFFAOYSA-N 279.453 3.857 30 20 CHED N#Cc1ccc(NCC2(c3ccccc3Cl)CC2)nc1 301905880 QIUROKVKCMJBFK-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(SC(F)F)cc1 124608473 ASEZSRGFFVNGHO-CQSZACIVSA-N 298.358 3.669 30 20 CHED N#Cc1ccc(CSc2ccc(C(=O)O)cc2)cc1F 404200026 PAJPQVSVQYMTPJ-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C=CCCC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F 126148333 OCDKHJAASRHYBG-UHFFFAOYSA-N 293.338 3.686 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)N(CCC#N)CC(C)(C)C 424640465 AYPNAHJIQHNHBE-KBPBESRZSA-N 264.413 3.601 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc(C)n1 125135869 KDWNMQVJVKBJPN-UHFFFAOYSA-N 261.369 3.600 30 20 CHED O=C(/C=C/c1cncs1)c1cccc(OC(F)F)c1 129955406 NJEUZCHTULYKNX-SNAWJCMRSA-N 281.283 3.641 30 20 CHED CCn1c(SCC2(C#N)CC2)nnc1-c1cccc(C)c1 500763718 PHLWCQKQEUJSDD-UHFFFAOYSA-N 298.415 3.669 30 20 CHED C[C@](Cc1ccccc1)(NCCC#N)c1ccccc1 412096973 OAKDDCQQLKKKIX-GOSISDBHSA-N 264.372 3.648 30 20 CHED C[C@@H]1C[C@@H](Nc2c(Cl)cccc2C#N)CS1 413519478 OMRYMKVVNFYHST-PSASIEDQSA-N 252.770 3.518 30 20 CHED C=C(C)CCc1noc(C[C@H]2CCO[C@H](C(C)C)C2)n1 508663739 HQXKAIXGMZGKDB-KBPBESRZSA-N 278.396 3.572 30 20 CHED COc1cc(C)cc(CNc2ccc(Cl)c(C#N)n2)c1 128124420 ZBKBTXXWGLUKDE-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C=CCCCN(C)[C@@H]1CCCc2nc(CC)sc21 152454986 YCUYROXBHKDLIE-CYBMUJFWSA-N 264.438 3.981 30 20 CHED C[C@@H]1C[C@H]1[C@@H](C)NC1CCC(Oc2ccccc2C#N)CC1 414069059 BMKIFUAMRKJFIY-MBZIKMLFSA-N 298.430 3.882 30 20 CHED N#CCOc1cccc(NC(=O)c2coc3ccccc23)c1 316321867 YFUVPFYHBWGTQD-UHFFFAOYSA-N 292.294 3.587 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCC(F)(F)C2)cn1 488448105 YTUJUCDJLAALJD-NSHDSACASA-N 265.307 3.581 30 20 CHED CC(C)[C@@H](CNCC1(C#N)CCC1)c1ccccc1 418135994 BPLDVIYVWCBXIV-MRXNPFEDSA-N 256.393 3.710 30 20 CHED N#CC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 123714777 AQJSEESZVBNDQF-UHFFFAOYSA-N 289.429 3.607 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc(CC)cc1 410134054 FVNRTDLYDHWCTJ-MRXNPFEDSA-N 259.393 3.653 30 20 CHED CS[C@@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N 410929711 OCINFUJYLUOTID-QMMMGPOBSA-N 282.434 3.607 30 20 CHED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccn1 78832850 OBMFRFKNLUCEMI-VIFPVBQESA-N 292.264 3.540 30 20 CHED CCc1ccc(CN(CCC#N)Cc2cccnc2)cc1 78728942 ZUGIUVBEQBIWLA-UHFFFAOYSA-N 279.387 3.560 30 20 CHED CC#CCCCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 184969435 ABYCSIRZBOMKIC-KRWDZBQOSA-N 297.402 3.570 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c[nH]1 181230662 QFLPTIKQKOYSJD-OAHLLOKOSA-N 299.761 3.517 30 20 CHED C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1 186967613 PPHKWQJOQNLSGD-UHFFFAOYSA-N 295.386 3.508 30 20 CHED CC#CCCCC(=O)Nc1cc(Cl)ccc1N(C)C 184996290 ZFSIUSDTVKFVNN-UHFFFAOYSA-N 278.783 3.538 30 20 CHED N#Cc1cc(F)ccc1CSc1ccc(O)cc1 71140149 ZQCAAAPDYXHTBQ-UHFFFAOYSA-N 259.305 3.695 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)CCc1ccccc1F 410826225 HTRCWZVIXUZZFT-ZFWWWQNUSA-N 290.382 3.545 30 20 CHED CCN1CC[C@H](N(C)CCC2(C#N)CCCCC2)C[C@@H]1C 411307161 MOEFDDUDVQRTGE-IRXDYDNUSA-N 291.483 3.655 30 20 CHED Cc1cc(C#N)cc(N[C@H](C)C2CCSCC2)c1 449757938 FGFLFKHWRXOVET-GFCCVEGCSA-N 260.406 3.810 30 20 CHED C[C@@H](NCCCNc1cccc(F)c1)c1cccc(C#N)c1 184463186 DSQDTRFLTDRLAK-CQSZACIVSA-N 297.377 3.850 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)C 135762086 XEILAYFGMBNGOE-LLVKDONJSA-N 291.420 3.858 30 20 CHED Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1cccs1)CC2 41575029 UUKVZDMASVILGR-CLFYSBASSA-N 288.324 3.560 30 20 CHED CSCC[C@H](C)Nc1ccc(C#N)c(Br)c1 228195481 JOBZDPNAEUHKLW-VIFPVBQESA-N 299.237 3.874 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1 410128431 SFARVJFCVHLOBJ-WFASDCNBSA-N 279.811 3.990 30 20 CHED C=C(CC)CNC(=O)c1c(Cl)cc(F)cc1Cl 456809326 BJXFFIOYTXSFJI-UHFFFAOYSA-N 276.138 3.829 30 20 CHED N#Cc1ccc(F)cc1COc1c(F)cccc1F 130220782 PIVZOUKCIQFHRU-UHFFFAOYSA-N 263.218 3.555 30 20 CHED N#CCCN(Cc1ccccn1)Cc1cc(Cl)cs1 194379992 UOTMJFRQHDDJBV-UHFFFAOYSA-N 291.807 3.712 30 20 CHED C=CCC1(C(=O)NCCCCc2nc(C)cs2)CCC1 191092550 KTGPFNHIIUXIBN-UHFFFAOYSA-N 292.448 3.637 30 20 CHED C=CCSCCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 194628743 IHWOEFGMSRAYQR-AWEZNQCLSA-N 292.448 3.617 30 20 CHED C=CCN(CCOC)C(=O)c1ccc(-c2ccccc2)cc1 191960391 RUFMVSMBETWJMD-UHFFFAOYSA-N 295.382 3.628 30 20 CHED COc1ccc(C#N)cc1CN(C)Cc1cccc(C)c1C 428735400 DGWBWWZQCVEYJF-UHFFFAOYSA-N 294.398 3.816 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1nc(C)cs1 43257716 ZBBKBWOYXGSVOU-UHFFFAOYSA-N 293.417 3.733 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(Br)c1 190124112 QBHMCVVNOMPAMJ-CQSZACIVSA-N 296.208 3.668 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2cc(C)ccc21 424598825 MBQZUVQZRNLOBN-OAHLLOKOSA-N 257.377 3.701 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 424567711 KGUTXALNPFYTHT-UHFFFAOYSA-N 269.348 3.618 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccccc1SC 194594127 QEHBXISYAOAPEF-CMDGGOBGSA-N 272.373 3.521 30 20 CHED N#Cc1ccc(CN(CC2CCC2)CC(F)(F)F)cc1 174837462 DRZYRFAVYLWWNO-UHFFFAOYSA-N 282.309 3.723 30 20 CHED C[C@H]1CC[C@H](CC(O)=Nc2cnccc2-n2cccn2)C1 328641687 DHRRWLWJBPGPNR-STQMWFEESA-N 284.363 3.682 30 20 CHED CC[C@@H]1CN(c2ccc(Cl)cc2C#N)CCS1 135265453 MULSVJBMUVHWLQ-GFCCVEGCSA-N 266.797 3.543 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccccc2OC)o1 83982111 BFDSUJXYQGKVBM-CSKARUKUSA-N 256.301 3.747 30 20 CHED C[C@H](/C(O)=N/CCOC1CCCCCC1)c1ccccn1 328792641 RMIHFVTYLPUPRG-AWEZNQCLSA-N 290.407 3.881 30 20 CHED CCCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 424336660 YCFQQZFBSCQOEN-OFQRWUPVSA-N 272.392 3.818 30 20 CHED Cn1ncc(N=C(O)N2CCCC2(C)C)c1-c1ccccc1 329470696 ZABOZVILXJAWNP-UHFFFAOYSA-N 298.390 3.507 30 20 CHED Cc1[nH]c2c(C(=O)[C@H](C#N)c3ccccn3)cccc2c1C 41481463 UHKPERJQOFUEMF-OAHLLOKOSA-N 289.338 3.670 30 20 CHED N#CCCNCc1cc(Cl)ccc1OC1CCCC1 425991102 RNYVWBHWQALTRU-UHFFFAOYSA-N 278.783 3.665 30 20 CHED N#Cc1c(N[C@@H]2CCc3c(F)cccc32)ncc2c1CCC2 425216984 SXQDCMZFUVJJFX-QGZVFWFLSA-N 293.345 3.680 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2cc(C#N)cs2)cc1 83939601 PSJKUJCDDRUOBE-NSHDSACASA-N 271.341 3.846 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CCC1 192242713 ZFTVYYPHESHUNE-ZDUSSCGKSA-N 269.344 3.909 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(F)c(F)c2)no1 426440712 SSMBGYYIVZMPKR-UHFFFAOYSA-N 278.302 3.792 30 20 CHED COc1cc(NC2CCC(C)(C#N)CC2)ccc1F 336212831 QAWPABSCWFZVDK-UHFFFAOYSA-N 262.328 3.719 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cccc2c1CCCN2 423418538 UUQPYIASKFSGPS-KBPBESRZSA-N 258.409 3.735 30 20 CHED CSc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1Cl 86302499 YYWLYSTUAHWUKF-VIFPVBQESA-N 297.811 3.828 30 20 CHED CC(C)CC1(C(=O)N2CCC[C@](C)(C#N)C2)CCCC1 612364933 FLPULHVUZDNSMP-MRXNPFEDSA-N 276.424 3.745 30 20 CHED N#C[C@H]1CC[C@H](N2CCCc3c([nH]c4c(F)cccc34)C2)C1 334342722 QFVGPHUYEVUIQG-STQMWFEESA-N 297.377 3.747 30 20 CHED C[C@@H]1CC[C@H](CSc2ccc(C#N)cc2Cl)O1 191189207 ZTXVIWHITBPUNK-MWLCHTKSSA-N 267.781 3.871 30 20 CHED Cc1cc2cc(CN(C)[C@H](C)CC#N)oc2cc1C 93090881 KYVHZRAOOWVSTP-CYBMUJFWSA-N 256.349 3.784 30 20 CHED CC(C)(C)CN(CC(C)(C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1 425835437 AOLNYLBMWWIDPF-UONOGXRCSA-N 293.455 3.782 30 20 CHED CCC(C)(C)[C@@H]1CCCN1C(=O)c1cscc1C#N 335158978 MALZDMVIJJLBIN-ZDUSSCGKSA-N 276.405 3.661 30 20 CHED CCSc1ccc([C@H](C)NC(=O)[C@@](C)(C#N)CC)cc1 511176777 YXPPABYWLGLOSK-BLLLJJGKSA-N 290.432 3.916 30 20 CHED Cc1c(C(=O)NCC(C)(C)C#N)sc2ccc(F)cc12 336403775 GEZHTVAYJSWOBH-UHFFFAOYSA-N 290.363 3.628 30 20 CHED C=C1CCN(C(=O)C[C@H](C)c2ccc(F)cc2F)CC1 336330002 GGRSLMNKBYFFHZ-LBPRGKRZSA-N 279.330 3.637 30 20 CHED C=C1CCN(C(=O)c2ccc(Oc3ccccc3)cn2)CC1 335896018 ZCXXLVZJMHZRRW-UHFFFAOYSA-N 294.354 3.666 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)cs2)c(Cl)cc1F 335737325 HBTMNHIOGNLNLM-UHFFFAOYSA-N 294.738 3.973 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCC1(SC)CC1 434547037 JMOKPHTUQQJMPL-UHFFFAOYSA-N 296.480 3.660 30 20 CHED CO[C@H](CNc1ccc2cc(C#N)ccc2n1)C(C)(C)C 92918587 YUIANDHSXLYTIH-OAHLLOKOSA-N 283.375 3.579 30 20 CHED Cc1nc(-c2ccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)cc2)cs1 336237006 DQBNNDQZBZYMDU-MGPLVRAMSA-N 297.383 3.607 30 20 CHED CC[C@H](C)C[C@@H](C)/N=C(/O)Nc1cc2c(cc1C)OCO2 330779215 CCQXOQZVAZEOBZ-CMPLNLGQSA-N 292.379 3.874 30 20 CHED C=CCOCCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 338389429 SJMNBRKXZOYLBW-CYBMUJFWSA-N 291.357 3.634 30 20 CHED COc1cc(C)cc(N/C(O)=N/C[C@H]2CC=CCC2)c1C 331147330 NUAOKKLALHWYOG-AWEZNQCLSA-N 288.391 3.994 30 20 CHED CCc1nsc(Nc2ccc(C(C)(C)C#N)cc2)n1 92606043 VNNXEWDQDOWVLY-UHFFFAOYSA-N 272.377 3.645 30 20 CHED CCC1(C)CCN(Cc2cn3ccccc3c2C#N)CC1 337681097 HTCXQASOIQUDNO-UHFFFAOYSA-N 281.403 3.823 30 20 CHED Cc1ccc(C[C@H](C)NCc2ccc(C#N)cc2)c(C)c1 237546174 PZXDFNXZXHJKHB-INIZCTEOSA-N 278.399 3.896 30 20 CHED CC(C)(NCC1(C#N)CCC1)c1nc2ccccc2s1 528605791 XKONPKOWQRLMED-UHFFFAOYSA-N 285.416 3.815 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)C1C(C)(C)C1(C)C 436297841 WXQWPSOYFFHYGZ-MCIONIFRSA-N 265.441 3.628 30 20 CHED CC(C)Oc1ccc(NCC(C)(C)CCC#N)cn1 344856009 OUZOKUFSRRETPY-UHFFFAOYSA-N 261.369 3.611 30 20 CHED Cc1cccc(-n2ccnc2S[C@@H]2CC[C@H](C#N)C2)c1 430102308 AAMATCRGOWEHIT-DZGCQCFKSA-N 283.400 3.965 30 20 CHED CC(C)SCCNCc1cccc(OCCCC#N)c1 342075092 PVZGVYGUQIDQLS-UHFFFAOYSA-N 292.448 3.600 30 20 CHED Cc1cc(NC[C@@H](c2ccccc2)C2CC2)cc(C#N)n1 431474849 DGYZUGMRGRYKRK-SFHVURJKSA-N 277.371 3.867 30 20 CHED N#Cc1cc(CN2Cc3cccc(Cl)c3C2)ccc1F 347455451 OGDLTAGDYWRPLU-UHFFFAOYSA-N 286.737 3.867 30 20 CHED Cc1ccc(C(C)(C)C(=O)Nc2cccc(C#N)c2)cc1 244015712 SNLUHFLXCKNJSR-UHFFFAOYSA-N 278.355 3.783 30 20 CHED C=CC[C@@H]1N(C(=O)CC[C@H]2CCCO2)CCCC1(C)C 347479479 GUOWQMDVAJGDRJ-CABCVRRESA-N 279.424 3.539 30 20 CHED C=CCOCCCN(C)[C@@H](C)c1ccc(F)c(F)c1 347971724 XYQQHYISMPBKLO-LBPRGKRZSA-N 269.335 3.550 30 20 CHED C=CCN1CCC[C@@H]1c1ccc(Br)c(F)c1 430218766 NWBRWHBDIMSSED-CYBMUJFWSA-N 284.172 3.911 30 20 CHED CCc1csc([C@H](C)Nc2cccc(F)c2C#N)n1 601182402 UFQTYFGAKXGPFE-VIFPVBQESA-N 275.352 3.889 30 20 CHED N#CCCCSCc1cccnc1C(F)(F)F 600636485 FYPBNKWMQJUJGF-UHFFFAOYSA-N 260.284 3.637 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc2cc[nH]c2c1 600118097 QPABJOFVYVDQRK-UHFFFAOYSA-N 269.392 3.930 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1ccco1 255547175 UWFXGCKYAAADNA-KTKRTIGZSA-N 256.301 3.963 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1sc(C)c(C)c1C#N 341456463 IMYXKZCVBWFBKF-FZMZJTMJSA-N 262.378 3.611 30 20 CHED CCc1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1 602484113 NDVYVSCJSWJWIH-CQSZACIVSA-N 272.392 3.760 30 20 CHED C=CCCC(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 522535926 MYDUPTUKFVQSEY-AWEZNQCLSA-N 289.419 3.834 30 20 CHED N#Cc1ccc(NCCN2CCCc3ccccc32)c(F)c1 608778980 HZDBZRMHFSWCNJ-UHFFFAOYSA-N 295.361 3.562 30 20 CHED C/C(=C/C(=O)O[C@@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 254970159 QMDYKBVFTSESBU-FGWOKABOSA-N 289.762 3.979 30 20 CHED CCOc1ncc(C)cc1NC1CCC(C)(C#N)CC1 449368533 KEXGFMOIUPRNON-UHFFFAOYSA-N 273.380 3.673 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)c1ccc([N+](=O)[O-])cc1 449347196 GLNOQYXTRPTQEF-YGONEPDPSA-N 287.363 3.718 30 20 CHED C=CC(C)(C)C(=O)NCc1cccc(OCCCC)c1 448720051 NYQGZHMEAWFWIJ-UHFFFAOYSA-N 275.392 3.694 30 20 CHED Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OC(C)(C)C)c1 442788392 FDNXSVXFGOTXPG-ZBFHGGJFSA-N 286.419 3.954 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2F)s1 255308733 ROADZVSYHQLSEL-XQRVVYSFSA-N 275.279 3.794 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc(C)s1 356066120 XVTDBYHMGVDMKA-CYBMUJFWSA-N 263.406 3.556 30 20 CHED COc1ccc(C#N)cc1NC(=O)Nc1ccccc1C 355297790 HQQWYOAXDPUKDY-UHFFFAOYSA-N 281.315 3.519 30 20 CHED CCCC(=O)Nc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1C 442874261 MJONCXSKXXDAPM-KGLIPLIRSA-N 285.391 3.838 30 20 CHED CC1(C)CN(C(=O)c2cccc(CC#N)c2)c2ccccc21 610709122 RUBQNVGYKNPTQX-UHFFFAOYSA-N 290.366 3.691 30 20 CHED N#C[C@@H]1CCC[C@H](NCC[C@@H]2CCc3ccccc32)C1 449379577 TXYUFBRBQUMOSE-PVAVHDDUSA-N 268.404 3.778 30 20 CHED CC[C@@H](Nc1cnn(CC2CC2)c1)c1ccc(C#N)cc1 618574686 HHJILKLDMLYISX-QGZVFWFLSA-N 280.375 3.728 30 20 CHED CC1(C)CCCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 443519785 XIFZGWHJKCZQTN-UHFFFAOYSA-N 297.324 3.989 30 20 CHED CN(CC(C)(C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 263776909 LBZMIPLGDJECOL-UHFFFAOYSA-N 290.411 3.625 30 20 CHED CCCN(CCC#N)[C@H]1C[C@H](OCC)C12CCCCC2 357772855 DIQLTXOBMPPDMD-HOTGVXAUSA-N 278.440 3.740 30 20 CHED C=CCn1c(C)cc(C(=O)CN(C)[C@H](C)C2CCC2)c1C 357018699 AZDWODXNYFTJDD-CQSZACIVSA-N 288.435 3.594 30 20 CHED C=CCCCC[C@@H](C)NC[C@H]1CCN(CC(F)(F)F)C1 449090143 LZDGLDZPOXOFHL-ZIAGYGMSSA-N 292.389 3.595 30 20 CHED CS[C@H](C)CCC(=O)Nc1ccc(C#N)cc1Cl 359067022 XRXIXFLZMIEPPF-SECBINFHSA-N 282.796 3.682 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@H](c2ccccc2)CC1 350752230 MLPZDILUYLGRHO-KRWDZBQOSA-N 296.418 3.547 30 20 CHED COc1ccc2c(c1)C[C@@H](C)N(CCCCC#N)[C@@H]2C 359537488 LFXSRIZIKXUHJR-ZIAGYGMSSA-N 272.392 3.697 30 20 CHED C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cncc(F)c1 359216833 ADJYKPITESXCJD-RYUDHWBXSA-N 269.323 3.504 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCC[C@@](C)(C#N)C1 612125347 PLCTYXRWAPAMKH-INMHGKMJSA-N 291.439 3.538 30 20 CHED Cc1cccc2c(=NC[C@@H]3CCCCS3)c(C#N)c[nH]c12 612094524 DTNQMWWMYSASGL-AWEZNQCLSA-N 297.427 3.534 30 20 CHED C=CCC1(NC(=O)C[C@H](C)C2CCCCC2)CCOCC1 618247450 XPAJOXHFRBJNSQ-HNNXBMFYSA-N 293.451 3.834 30 20 CHED C=CCC1(NC(=O)[C@@H]2CC(=O)c3ccccc32)CCCCC1 456373996 WMKFHUIESAURSV-MRXNPFEDSA-N 297.398 3.752 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)CCCC1 450055126 BGCFPWRJZHLLSP-HOTGVXAUSA-N 293.451 3.690 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C(=O)OC)c1ccccc1F 614652402 HATUNWABPPKABV-XJKSGUPXSA-N 293.382 3.764 30 20 CHED C=CCCC(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 263728235 ZJRQAYAURVHJNZ-UHFFFAOYSA-N 288.391 3.510 30 20 CHED C=CCSc1ccccc1C(=O)NCc1ccc(C)nc1 362391795 YOKBGCBFGMEIEC-UHFFFAOYSA-N 298.411 3.598 30 20 CHED N#CCC[C@H](C#N)CN1CC2(CCC2)[C@H]1c1ccccc1 453030663 YKEMUEINTTVDAS-NVXWUHKLSA-N 279.387 3.657 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 613281571 PGGNKQFIQVTUHG-IRXDYDNUSA-N 293.326 3.609 30 20 CHED C=CCCc1noc(-c2cc(C(CC)CC)no2)n1 453243229 YSRPXGFMAUOBLM-UHFFFAOYSA-N 261.325 3.747 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)CCSCC 540567350 GPMMVGPIEACJEK-KBPBESRZSA-N 286.485 3.904 30 20 CHED C#CCC1(C(=O)N(C)Cc2ccoc2C)CCCCC1 276332555 SUTCNXJKNLZPCD-UHFFFAOYSA-N 273.376 3.520 30 20 CHED C=CCC[C@@H](C)Nc1cccc(NC(=O)N(C)C)c1C 279719430 ULNCQAMROSMHRX-GFCCVEGCSA-N 275.396 3.855 30 20 CHED Cc1ccc(F)c(CN[C@H]2CCc3cc(C#N)ccc32)c1 618741365 FGNDVDSDFOHZBE-SFHVURJKSA-N 280.346 3.783 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 274613953 RFXTXEPGYKOJDH-UHFFFAOYSA-N 285.391 3.966 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(CC#N)c1 455923026 RWWLXEDWYQNPMI-DZGCQCFKSA-N 285.391 3.700 30 20 CHED Cc1ccccc1C1(C(=O)Nc2cccc(CC#N)c2)CC1 456741692 YNZKPNJUESIPPS-UHFFFAOYSA-N 290.366 3.731 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)nc1 272322959 WJQLYVICXQLSDS-LBPRGKRZSA-N 297.789 3.947 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 620857580 BGYCKVMOWKMQIX-HUUCEWRRSA-N 281.440 3.689 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](C)c1cc(C)ccc1C 455517006 DORLJIOTSVHIMU-OAHLLOKOSA-N 274.408 3.972 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 451370856 CIJRSNOZLJHMEI-UHFFFAOYSA-N 271.360 3.820 30 20 CHED C=C(CC)CNC(=O)N1CCCC[C@@H]1c1ccccc1 459100598 SAMBHTFDBZDZQJ-MRXNPFEDSA-N 272.392 3.889 30 20 CHED C=CCC1(c2nc(CC3CC(F)(F)C3)no2)CCC1 453366446 RAWUEBWMJUSYMI-UHFFFAOYSA-N 268.307 3.655 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(C(C)(C)C2=CCCCC2)no1 453172053 WNVIQDXBXMGELV-KGLIPLIRSA-N 288.391 3.906 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2)s1 362980852 RQNUXDSZVMCDLE-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=C(C)CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 277109889 VLCRSUGWGSNWIJ-HUUCEWRRSA-N 265.784 3.726 30 20 CHED Cc1ccnc(N[C@H]2c3ccccc3CC[C@H]2C)c1C#N 541351175 KPTCCJOYEYJQFO-CXAGYDPISA-N 277.371 3.997 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 276479479 YOLNVPMWBZVQAE-KGLIPLIRSA-N 297.320 3.843 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCC[C@@H](SCC)C1 466367223 RFLDZTJQTBKILG-ZIAGYGMSSA-N 284.469 3.658 30 20 CHED CCCOc1ccccc1NCCOc1cccc(C#N)c1 462201271 ITNKXRMQFVURQP-UHFFFAOYSA-N 296.370 3.838 30 20 CHED CCC(CC)(C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 464709902 JZJMCHWEKPMDOR-OAHLLOKOSA-N 286.419 3.799 30 20 CHED C=C(C)CCc1noc(-c2ccccc2OCC)n1 285197050 SHKCDCOIOFEYAH-UHFFFAOYSA-N 258.321 3.644 30 20 CHED C#CCC(C)(C)c1nc(-c2cnc3ccsc3c2)no1 288971782 HUNYXMIKTVALPA-UHFFFAOYSA-N 283.356 3.647 30 20 CHED C[C@@H](CF)NCc1cccc(OCc2cccc(C#N)c2)c1 288326873 AIEKMMPBERMUIT-AWEZNQCLSA-N 298.361 3.585 30 20 CHED C[C@@H](C(=O)NCC1(C)CCCCC1)c1cccc(C#N)c1 462190671 SYIWLWXUWYWINW-CQSZACIVSA-N 284.403 3.748 30 20 CHED COc1ccc(C#N)cc1CN1CC(C)(C)[C@H]2CCC[C@@H]21 378830466 JRPXESFMILUKRB-HOTGVXAUSA-N 284.403 3.577 30 20 CHED C=CCN(C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1ccccc1 627376641 JBUMRZBONMVWBN-IPMKNSEASA-N 289.378 3.792 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C=C)c1ccccc1 281129105 TZHYQUKGEKQVTD-GDBMZVCRSA-N 257.377 3.817 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 281522998 XEWXLRUXZOTIGC-IACUBPJLSA-N 279.330 3.539 30 20 CHED N#Cc1ccc(CNCCCCOc2ccccc2)s1 553238793 XBYLIRNCXWNDPN-UHFFFAOYSA-N 286.400 3.569 30 20 CHED CC[C@@H](CC(=O)NCC(C)(C)CCC#N)C(C)C 553752294 LAIFSESZBIRIEY-ZDUSSCGKSA-N 252.402 3.505 30 20 CHED C=CCC[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccco1 286152247 OXOWSPQCWNBROD-CABCVRRESA-N 291.391 3.562 30 20 CHED CO[C@H]1CCC[C@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 463662863 TUCHBOFRTRMWCA-HZMBPMFUSA-N 298.308 3.804 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC(CC(F)(F)F)CC1 551646706 XELZCEVGCBONKB-GFCCVEGCSA-N 292.345 3.715 30 20 CHED C=CC[C@H](CC)N[C@H]1CCN([C@H](C)c2ccccc2)C1 467414263 SGGMLVXXRPYYJV-NJAFHUGGSA-N 272.436 3.766 30 20 CHED C=CCCN(C)C(=O)c1cc2ccc(OC)cc2s1 632702705 ARHNGOPKRHCSNA-UHFFFAOYSA-N 275.373 3.558 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccccc1)C1CCCC1 464750777 JIJAVJMHSUJSNQ-CZUORRHYSA-N 272.392 3.792 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1c2ccc(F)cc2O[C@H]1C 554372722 SWRQYIFAQGBVRL-CENBSLRLSA-N 263.356 3.838 30 20 CHED CC1CCC(CNC(=O)[C@@H](C#N)CCc2ccccc2)CC1 469563309 GLBFKBZWJLXHCY-VMWRSERWSA-N 298.430 3.701 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 474023020 RKOCVKTVJKPMNG-QGZVFWFLSA-N 298.430 3.506 30 20 CHED C=CCCCSCC(=O)N(C)[C@@H]1CCCC[C@H]1C 476128237 BTBZJPVUMWRPPC-ZIAGYGMSSA-N 269.454 3.723 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)CCC#N 558491328 ZRYHKLAUFZLAHQ-GJZGRUSLSA-N 293.455 3.974 30 20 CHED N#Cc1cc(C(=O)O[C@H]2CC[C@H](c3ccccc3)CC2)c[nH]1 806081052 KKAUVRBHNXQUNY-CZIWCDLHSA-N 294.354 3.770 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(OC)c(F)c2)n1 551134548 CUHRSSSWRHYCSZ-UHFFFAOYSA-N 290.338 3.662 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC12CCCC2 474385222 QMOHDAXSNZPCHL-KRWDZBQOSA-N 296.414 3.877 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)Cc2nc(Cl)ccc21 806580008 YHDFVPIHBQEJBS-WEVVVXLNSA-N 291.137 3.606 30 20 CHED C=C(C)CN1CCC(=Cc2cccc(OC)c2)CC1 472930555 REFFFFBEHZKSJN-UHFFFAOYSA-N 257.377 3.751 30 20 CHED Fc1ccc(Br)c(C=NNCC2CCCC2)c1 808006613 ZCOYLTUENUSRTF-UHFFFAOYSA-N 299.187 3.702 30 20 CHED CCCCCN(C(=O)NCC1(C#N)CC1)[C@@H](C)CCC 569906876 QXZHRXONNOQMQS-AWEZNQCLSA-N 279.428 3.681 30 20 CHED C[C@H]1CC[C@@H](C=NNc2cccc(C(F)(F)F)n2)C1 800812835 MSSNQZTUTXHVOU-VHSXEESVSA-N 271.286 3.934 30 20 CHED C=C(CNC(=O)/C=C/SCc1ccco1)c1ccccc1 805251498 ZIHJGMWJMGRRLZ-PKNBQFBNSA-N 299.395 3.856 30 20 CHED CC(C)CN(C(=O)NCc1cccc(C#N)c1)C1CCCC1 299422628 GAWIEVMUDFVFFB-UHFFFAOYSA-N 299.418 3.668 30 20 CHED C=C(C)CN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 563840486 FGZLALAVZKQTFV-AWEZNQCLSA-N 275.783 3.929 30 20 CHED C=CCC[C@H](NCC1CC(F)(F)C1)c1ccco1 293778010 TULIZQVHVRCNGQ-LBPRGKRZSA-N 255.308 3.922 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H]1Cc1ccccc1Cl 472754971 STKPEJVPRCZLAY-JKSUJKDBSA-N 293.838 3.674 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CCC[C@H](F)C1 564903105 GUOMZWOHSGVGIQ-VHSXEESVSA-N 287.260 3.665 30 20 CHED CCOc1cccc(Cl)c1CN[C@@H](CC)CC#N 565175511 VQOQUWMIBXTERA-NSHDSACASA-N 266.772 3.521 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 476139639 HHTWPOIYXXWCGA-WMZOPIPTSA-N 298.430 3.969 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N(C)c1ccc(C#N)cc1 297760404 PJLPUNUIWLFIFY-UHFFFAOYSA-N 293.370 3.662 30 20 CHED CCCC[C@H](C)C(=O)Nc1cc(C#N)ccc1NC1CC1 560707968 VJGVKQRMIHUYPH-LBPRGKRZSA-N 285.391 3.897 30 20 CHED Cc1ccc(C[C@@H](C)Nc2cc(C#N)ccn2)c(C)c1 561194025 VVLCNRCXUXPWEW-CQSZACIVSA-N 265.360 3.613 30 20 CHED C=CCCCC(=O)NC1(c2ccc(OC)cc2)CCCC1 480889029 JPPUUIHBEJJDPB-UHFFFAOYSA-N 287.403 3.937 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc([N+](=O)[O-])cc1 811685446 SGSJAMJZKDHTDI-TWGQIWQCSA-N 296.257 3.502 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(C(C)C)cn1)c1ccncc1 810408896 WIVGCCUBXXRVBL-MRXNPFEDSA-N 295.386 3.647 30 20 CHED N#Cc1ccc(OCCNc2cccc3c2CCCC3)cc1 484484919 DVGILZPYRWQXDB-UHFFFAOYSA-N 292.382 3.928 30 20 CHED Cc1cc(N)cc(C)c1C=NNc1ccc(F)c(F)c1F 814945772 PGZXGEPIXRFVBE-UHFFFAOYSA-N 293.292 3.749 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@@H]1CCC(C)C 564620787 CFEPVXOHHNYRKK-OAHLLOKOSA-N 290.455 3.822 30 20 CHED C(=NOC1CCC1)c1csc(COc2ccccc2)n1 812237213 PNWUWZNLIBTCEC-UHFFFAOYSA-N 288.372 3.625 30 20 CHED Cc1cccc2c1C/C(=C/c1cccc(F)c1C#N)C2=O 811690043 SMJFWXFGDTXNDT-JYRVWZFOSA-N 277.298 3.828 30 20 CHED COc1ccc(C)cc1/C=C1/Cc2c(O)cccc2C1=O 810250068 DPADTMKCUCOHJQ-LCYFTJDESA-N 280.323 3.532 30 20 CHED C1=C([C@H]2CCCCC2=NNc2ncccn2)CCCC1 814797093 DUWOHUJLQKAJAL-CQSZACIVSA-N 270.380 3.935 30 20 CHED CC(Cc1c(Cl)cccc1Cl)=NNc1cccnn1 814852556 FIIRYJOCZNTCKW-UHFFFAOYSA-N 295.173 3.814 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C)c(C)c2)cc1O 811699548 VAMSFDPHWOSOAS-SOFGYWHQSA-N 282.339 3.914 30 20 CHED C=CCCc1ccccc1NCc1conc1CC 656119022 OPKKFJKOORTQBK-UHFFFAOYSA-N 256.349 3.968 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(C)c1Cl 652636204 HBFPZVOLYOMBGP-UHFFFAOYSA-N 266.772 3.982 30 20 CHED C=CC[C@H](C(=O)N(C)CC(C)(C)C)c1ccccc1 488392695 QXXOHRBXZQQKFF-HNNXBMFYSA-N 259.393 3.851 30 20 CHED CC(=NOC1CCC1)c1sc(C(C)C)nc1C 812235575 XXLMOPFVEPTDNF-UHFFFAOYSA-N 252.383 3.868 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)[C@H]1CCCOC1 814769445 OUABGLABDAAWEK-GFCCVEGCSA-N 287.388 3.634 30 20 CHED C#CCCCCCC(=O)NC(C)(C)c1ccccc1F 817039310 NNJLARPRZUXEBQ-UHFFFAOYSA-N 275.367 3.761 30 20 CHED CCC[C@H](Nc1ccc(C#N)c(C)n1)[C@@H](O)c1ccccc1 813606341 XAMZGFPXTHQOTB-WMZOPIPTSA-N 295.386 3.576 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCC1(COC)CCC1 658024448 XQPJDGLQKKAUEF-CVEARBPZSA-N 265.441 3.918 30 20 CHED CC#CCCNCc1ccccc1OC1CCCC1 482162447 HIJSMVHITQYFNQ-UHFFFAOYSA-N 257.377 3.511 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H](C)C(C)(C)C)no1 571720713 WJMBJSHYRFOJOD-IJLUTSLNSA-N 264.369 3.668 30 20 CHED CC[C@H](CNCc1cc(C#N)ccc1F)c1ccccc1 825123247 IYCUUJIPIDRDMW-OAHLLOKOSA-N 282.362 3.981 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2ccc(Cl)cc2)c1 728481174 MOYZSQDEUIAASJ-UHFFFAOYSA-N 297.785 3.917 30 20 CHED Cc1ccccc1-c1cccc(C=Nn2c(C)nnc2C)c1 729637166 VSWLFLSEZQKOTA-UHFFFAOYSA-N 290.370 3.753 30 20 CHED COc1ccc(NC2CCC(C)(C#N)CC2)cc1OC 823495730 YABJAUSVCCGHOL-UHFFFAOYSA-N 274.364 3.588 30 20 CHED CC(C)(C#N)c1ccccc1COc1cccc(C(=O)O)c1 826081030 KJRMFOIDKUHHLF-UHFFFAOYSA-N 295.338 3.765 30 20 CHED N#CCCCCNc1nc(C(F)(F)F)nc2ccccc12 728909690 HXEYFNPNRHTTDP-UHFFFAOYSA-N 294.280 3.754 30 20 CHED C=CCC1(NCCc2ccc(F)cc2Cl)CCOCC1 827147800 WYWDGIBVDPWXDB-UHFFFAOYSA-N 297.801 3.737 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1cc(C#N)ccc1NC 574386999 KXAIIOKHBZLNFZ-INIZCTEOSA-N 273.380 3.755 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1ccc(Cl)s1 494717901 LYCNDXVOYUJNPC-JTQLQIEISA-N 284.812 3.652 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1cc2ccccc2s1 826753361 FCLLTGLLLZNSAA-GFCCVEGCSA-N 271.385 3.738 30 20 CHED CCCCNN=C(C)c1ccc(Cl)c(Cl)c1O 727651315 SRAWZDIXVCLOSN-UHFFFAOYSA-N 275.179 3.813 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)cc(C)c1F 495395032 ZKMNBVJGEABWDT-OAHLLOKOSA-N 288.366 3.645 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1cnccc1C 668626011 MCYVQNQARWVCMU-UHFFFAOYSA-N 286.419 3.527 30 20 CHED C(=NNc1cnc2ccccc2n1)C1CCCCC1 727258409 IFASNWZBBGLLLJ-UHFFFAOYSA-N 254.337 3.608 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCCC[C@@H]2CC)c1 726458248 WWEGYXKOVSXKGE-HOCLYGCPSA-N 286.444 3.923 30 20 CHED C=C1CCC(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)CC1 909113331 SGLWZVMHNFOVTI-UHFFFAOYSA-N 293.750 3.723 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCC[C@@H]3C[C@H]23)c1 825291308 JJIOCNXPPMGWNR-FZCLSBEQSA-N 284.403 3.646 30 20 CHED C[C@H](CC(=O)NCC(C)(C)CCC#N)CC(C)(C)C 588770872 WDULNQKVZYEPGH-CYBMUJFWSA-N 266.429 3.895 30 20 CHED C=CCC1(N[C@@H]2CS[C@H](C(C)(C)C)C2)CCOCC1 668550531 BMUYQWLYXDSDGZ-KBPBESRZSA-N 283.481 3.622 30 20 CHED C=C[C@@](C)(O)C(=O)Nc1ccc(SC2CCCC2)cc1 666201336 VQXCIZMTXHJNHD-MRXNPFEDSA-N 291.416 3.597 30 20 CHED C#CCOC(=O)C1(c2ccc(C(C)C)cc2)CCCC1 731092733 GJEYWLUCDLCHPD-UHFFFAOYSA-N 270.372 3.798 30 20 CHED C#CCCCCNCc1cnc(-c2ccccc2F)s1 823991383 WAEQUVBGJADZMO-UHFFFAOYSA-N 288.391 3.842 30 20 CHED O=C(c1coc2ccccc12)N(O)Cc1ccc(F)cc1 901374114 DOEZJUMYLJYAHZ-UHFFFAOYSA-N 285.274 3.604 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 491774558 AJAKGSLZDADPMU-GFCCVEGCSA-N 299.399 3.604 30 20 CHED Cc1c(Cl)cnc(N2CCC(C3CC3)CC2)c1C#N 589873900 TWMYNOLJQWZLHY-UHFFFAOYSA-N 275.783 3.542 30 20 CHED CN(Cc1ccc(OCC#N)cc1)c1c(F)cccc1F 731211905 HRSLUIDYMIGCMZ-UHFFFAOYSA-N 288.297 3.504 30 20 CHED CCc1ccc(C(C)=NNc2nccnc2Cl)s1 733078868 MLCNVPBWSIVSLG-UHFFFAOYSA-N 280.784 3.590 30 20 CHED C=C(C)CCNc1cc(-c2ccnn2C)ccc1C 583717810 IGCXAUIIRRIQER-UHFFFAOYSA-N 255.365 3.774 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cccc(C#N)c1C 580131930 KEZINJKCUKEOLO-GFCCVEGCSA-N 273.380 3.909 30 20 CHED N#Cc1ccccc1SCc1ccsc1C(=O)O 833076372 CLMJPDVQXQVUFY-UHFFFAOYSA-N 275.354 3.610 30 20 CHED CCOc1ccc(Cl)cc1[C@@H](C)NCC1(C#N)CC1 903106407 PLKBWROIUKIBNU-LLVKDONJSA-N 278.783 3.693 30 20 CHED C=CC[C@H](NC(=O)CCCCCC)c1ccncc1 734459686 LVWJCEXOXRLOPO-HNNXBMFYSA-N 260.381 3.785 30 20 CHED C=CCCC[C@H](N)c1nc(-c2cccc(Cl)c2F)no1 904679033 XJIOYBJBZGXEOS-NSHDSACASA-N 295.745 3.885 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cncn1C)CC2 901488914 KBYNEMMVVYPQJC-NVNXTCNLSA-N 280.371 3.756 30 20 CHED CC(C)c1ccc(CNc2cc(C#N)ccn2)cc1[N+](=O)[O-] 902115991 LAVLNZNCPAVJKC-UHFFFAOYSA-N 296.330 3.597 30 20 CHED C=CC[C@H](NC(=O)CSCCC(C)C)c1ccncc1 734234314 LEHLTQHNDVWFRL-HNNXBMFYSA-N 292.448 3.594 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1ccc(F)c(Cl)c1 588523721 DDESTGBNVRLWJQ-KTAJNNJTSA-N 279.673 3.909 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)C#CC(C)(C)C 837352459 KNXRWPWWLYZRTL-MRXNPFEDSA-N 269.388 3.708 30 20 CHED C[C@@H](OC(=O)C#CC(C)(C)C)c1ncc(-c2ccccc2)o1 838371909 BFMKQODGROIRKP-CYBMUJFWSA-N 297.354 3.995 30 20 CHED CC[C@@H](CC(C)C)C(=O)OCCCC(C)(C)C#N 838251664 JASPCVLXMWHZKL-ZDUSSCGKSA-N 253.386 3.932 30 20 CHED CCCCCCCC(=O)O[C@@H](C)c1nnc(CC)o1 732324681 AXPFRIFUFRVAMM-NSHDSACASA-N 268.357 3.597 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1C 839043740 NLWRRWKKEKKSNR-HIFRSBDPSA-N 257.333 3.543 30 20 CHED CCCCCCCCCC(=O)NCc1cnc(C)o1 837974112 RDKOGTOAUBGOPM-UHFFFAOYSA-N 266.385 3.740 30 20 CHED C=CCC[C@@H](NC[C@]1(C)CC1(Cl)Cl)C1CC1 834884324 KPPBTOZVPMOSBO-NEPJUHHUSA-N 262.224 3.905 30 20 CHED CC(=NNCCC(F)(F)F)[C@H]1CCCC[C@@H]1C 834976190 ILOQOONKEUPKBF-ONGXEEELSA-N 250.308 3.731 30 20 CHED C=C(CNC(=O)C1C[C@@H](C)C[C@H](C)C1)c1ccccc1 672482821 IMTOOPDJRYSBTH-KBPBESRZSA-N 271.404 3.888 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1c[nH]c2ccccc12 918155231 JRCPVUHNUJHVPQ-YRNVUSSQSA-N 293.297 3.966 30 20 CHED C=CCC(F)(F)C(=O)N1CCCc2c(C)ccc(F)c21 839283557 YNQUYZXREAHPKJ-UHFFFAOYSA-N 283.293 3.625 30 20 CHED C=CCOc1ccc(CN2CCCOC[C@@H]2C)cc1Cl 678273080 JFRDYFJYVJFAIA-ZDUSSCGKSA-N 295.810 3.516 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)OC[C@@H](C#N)Cc1cccs1 835260599 IUXHPJFYIZJOJP-NFAWXSAZSA-N 291.416 3.800 30 20 CHED CCO[C@@H]1CC(=NN[C@H](C)c2ccccc2)C12CCC2 741162211 BECZJKIGNGHWDP-CZUORRHYSA-N 272.392 3.672 30 20 CHED CC(C)[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(F)cc1 837323262 IXWMFTLIJZKOEV-MRXNPFEDSA-N 275.367 3.689 30 20 CHED CCc1ccccc1NN=Cc1ccc(-n2ccnc2)cc1 915051932 ZVKROKWYDVTQQX-UHFFFAOYSA-N 290.370 3.881 30 20 CHED CCC[C@@H](C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 744015093 GERXCRIOOJCZJV-TZMCWYRMSA-N 266.344 3.847 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2oc(C)nc2C#N)cc1 741839227 CNGLJSUUNBRBBR-CQSZACIVSA-N 294.358 3.899 30 20 CHED CC1(C#N)CCN(C(=O)CCC2CCCCCC2)CC1 594337564 GDZJBAWBBGQQCW-UHFFFAOYSA-N 276.424 3.889 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(CCC(C)C)cc1 593426558 MGWDPFGMWAYBIC-CQSZACIVSA-N 258.365 3.763 30 20 CHED CSc1ccc(Cl)c(C(=O)N(C2CC2)[C@@H](C)C#N)c1 598123026 IRYIOOPNLFXWDD-VIFPVBQESA-N 294.807 3.579 30 20 CHED COc1cccc(/C=N/Cc2cnccc2C(C)(C)C)c1O 840711482 RAZDSYJSHKZOFN-KEBDBYFISA-N 298.386 3.712 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H](C)c1ccc(Cl)cc1 845311423 XRVUZGLIRPKIAA-CYBMUJFWSA-N 292.810 3.842 30 20 CHED N#Cc1c(F)cccc1SCc1cc(C2CC2)no1 594898030 OWGJLTJICSMUQB-UHFFFAOYSA-N 274.320 3.855 30 20 CHED Cc1cc(C)nc(NN=C2CCC(C)(C)C[C@@H]2C)n1 748247633 VQQLKIJUPUBXDB-JTQLQIEISA-N 260.385 3.708 30 20 CHED C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)CC(F)F 591853015 DTGDCYKQMAXNFT-VIFPVBQESA-N 292.251 3.685 30 20 CHED C[C@H](C#N)N(Cc1csc(-c2ccsc2)n1)C1CC1 595714766 ZZEYFIFYSONANG-SNVBAGLBSA-N 289.429 3.748 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc2c(c1)CCCN2 911777563 ABIBGSGPVCOKPO-LBPRGKRZSA-N 258.365 3.586 30 20 CHED CCOc1cccc(/C=N/Cc2ccc(C)s2)c1O 915981604 FFWLNBUTIIKLLF-CXUHLZMHSA-N 275.373 3.780 30 20 CHED C[C@@H](C#N)N(Cc1cccc(C(F)F)c1)C1CC1 595710239 OLVRZNNWFFSIKD-JTQLQIEISA-N 250.292 3.501 30 20 CHED CCC(=NN[C@H](C)c1ccccc1)C1CCOCC1 745198968 XAKUHWXZSGCPMI-CYBMUJFWSA-N 260.381 3.530 30 20 CHED N#Cc1csc(/C=C2/Cc3c(F)cccc3C2=O)c1 748441009 UPWYUZNTXVOQMV-YHYXMXQVSA-N 269.300 3.581 30 20 CHED Fc1ccc(F)c(C=NNc2ccc3ccccc3n2)c1 915940054 VOEDZQFKFVNEGK-UHFFFAOYSA-N 283.281 3.959 30 20 CHED CC1(Nc2nc(C#N)c(Cl)s2)Cc2ccccc2C1 596177043 BXHRZKGVKSFPRM-UHFFFAOYSA-N 289.791 3.638 30 20 CHED Cc1cc(COC(=O)CC2(C#N)CCCCC2)ccc1C#N 849906648 HACOJHJAPHOBEM-UHFFFAOYSA-N 296.370 3.774 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)OCCCF 841480567 MOTIUIADBNWHLY-UHFFFAOYSA-N 292.354 3.512 30 20 CHED C[C@]1(C=NO[C@@H]2CCCCO2)C[C@@H]1c1ccccc1 841634320 XMTDKAIOZLCREZ-BZUAXINKSA-N 259.349 3.709 30 20 CHED N#CC[C@H]1CCCN(Cc2cccc(C3CC3)c2)C1 597177545 OUPCTHQZNBPQPG-CQSZACIVSA-N 254.377 3.690 30 20 CHED COc1ccc(NCc2ccc(N(C)C)cc2C)cc1C#N 846750198 NYXUUFDEZWPBRV-UHFFFAOYSA-N 295.386 3.553 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F 917142960 SEVCBPSOSLSKDP-RJRFIUFISA-N 295.266 3.831 30 20 CHED CCCC[C@@H](C(=O)N[C@](C)(C#N)C(C)C)C(C)C 598651390 YGKSPJVUYUOKGW-UKRRQHHQSA-N 252.402 3.503 30 20 CHED C=CCCn1cc(/C=C2/C[C@H](C)c3ccccc3C2=O)nn1 849246293 GWJBQDUJJCNBLS-UROBUVALSA-N 293.370 3.628 30 20 CHED CC(C)CC1(N[C@H]2CCc3ccc(C#N)cc32)CC1 595096239 WYNLCLWQTCGASD-INIZCTEOSA-N 254.377 3.714 30 20 CHED C[C@H]1CCC(=NNc2ccc(CC(=O)O)cc2)[C@H](C)C1 848414891 SZHQQFUOLGVZGE-NWDGAFQWSA-N 274.364 3.538 30 20 CHED CC[C@H](C)CN(CC)C(=O)[C@H](C)Cc1ccc(C#N)cc1 593989464 QOXYZSSMSKDPCE-LSDHHAIUSA-N 286.419 3.631 30 20 CHED N#C[C@@H](C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1nc(C2CC2)cs1 842936818 AUOXOJYAAJNKKD-BQUFFADESA-N 286.400 3.633 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1cn(C)c2ccccc12 851210621 SIFQUNGRHJZNPU-CYBMUJFWSA-N 298.386 3.592 30 20 CHED COc1ccc(CNN=Cc2cc(Cl)ccc2F)cc1 753696854 JZLYERQPLAUEOB-UHFFFAOYSA-N 292.741 3.611 30 20 CHED CC(C)c1occc1C(=O)O[C@H](C)CC(C)(C)C#N 851204794 UYRBNWBUPRAFSW-LLVKDONJSA-N 263.337 3.888 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)/C=C/c1ccccc1C#N 757767179 SEHMWIOCUACHRM-OFAQMXQXSA-N 282.387 3.656 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)c(F)c(Cl)c1 683176624 ZDKZSCJPFLUWQP-UHFFFAOYSA-N 292.137 3.664 30 20 CHED CC(C)c1ccc(/C=C/CC(=O)N2CCC[C@@H](C#N)C2)cc1 928222724 VEYAPIKEXIVSHS-RCFWFJCLSA-N 296.414 3.975 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](CC)c1ccc(Br)cc1 859999244 MHAJKTODQFZIEE-ZWNOBZJWSA-N 296.208 3.633 30 20 CHED Oc1ccc(C=NOc2ccccc2C(F)(F)F)cc1 754710699 XEZOYDBNZQADEI-UHFFFAOYSA-N 281.233 3.824 30 20 CHED CC(C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140523 HUKLRONBFKMAEL-ZDUSSCGKSA-N 295.367 3.514 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)N(C)C1CCCCC1 853784210 ZBPVDWHENPNENR-LLVKDONJSA-N 275.845 3.652 30 20 CHED C=CCCCNC(=O)OCc1cccc(Cl)c1 859140553 XHMAXJVTZKQBLH-UHFFFAOYSA-N 253.729 3.532 30 20 CHED C=CCCC(=O)N1CCC(c2ccnc3ccccc23)CC1 854755400 CSRMTUJJOYGZKR-UHFFFAOYSA-N 294.398 3.907 30 20 CHED CCO[C@@H](CCNc1nc2ccccc2cc1C#N)C(C)C 750029316 GZLOHXYYQMUVRD-KRWDZBQOSA-N 297.402 3.970 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1cc(C(F)(F)F)ccn1 926487591 YFXOTXVUDAAPOS-LLVKDONJSA-N 299.340 3.561 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NNCc2ccccc2)c1 755564493 NCYPIAVRCGNCPH-UHFFFAOYSA-N 290.370 3.509 30 20 CHED FC(F)(F)c1ccccc1ON=Cc1ccco1 754712306 KXFPMIDUVYTZDY-UHFFFAOYSA-N 255.195 3.711 30 20 CHED C[C@H]1CN([C@@H](C#N)c2ccccc2)Cc2ccccc21 851720221 DEONLYJKPKNCCW-KSSFIOAISA-N 262.356 3.871 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC(CC)(CC)C1 855821615 IQNZICNTELSBTQ-UHFFFAOYSA-N 259.340 3.627 30 20 CHED C[C@@H](C=NNc1ccc(F)cn1)c1ccc(F)cc1 756890155 SJHNBFPJTZJNBM-JTQLQIEISA-N 261.275 3.561 30 20 CHED Fc1c(Cl)cccc1C=NNc1ccc(Cl)nc1 759664771 BYYHRYZKSCCJSK-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CCCCCCCCCC(=O)N(C)C1CCN(C)CC1 935879370 XZJLTLWAECNLMU-UHFFFAOYSA-N 282.472 3.680 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1ccccc1O 757476635 XSFPAOYLNQHCSP-CMDGGOBGSA-N 260.239 3.567 30 20 CHED N#Cc1cc(COC(=O)/C=C\c2ccsc2)ccc1F 758924603 XWITXIHJJHZZIO-RQOWECAXSA-N 287.315 3.515 30 20 CHED C=C1CN(C(=O)Nc2c(C)cc(C(F)(F)F)cc2C)C1 932244755 OHDMCBFHSPLIPN-UHFFFAOYSA-N 284.281 3.726 30 20 CHED COc1ccsc1/C=C/C(=O)c1cc(F)cc(F)c1 764441295 GJLCYIIKACWXDC-NSCUHMNNSA-N 280.295 3.931 30 20 CHED C#CCN(Cc1sccc1OC)C1CCCCC1 769145581 HTXGICXPHZYUSL-UHFFFAOYSA-N 263.406 3.525 30 20 CHED CC[C@@H](CC#N)NCc1ccc2c(c1)CCC(C)(C)O2 762795344 VEFSUEGIWBOTIL-HNNXBMFYSA-N 272.392 3.572 30 20 CHED CC#CCCOC(=O)[C@@H](C)Oc1cccc2ccccc12 769347584 GQFZCIIOQIHKKG-CQSZACIVSA-N 282.339 3.564 30 20 CHED C=CCCOC(=O)c1ccc(F)cc1C(F)(F)F 768092688 CFAZAAMTPJOYSL-UHFFFAOYSA-N 262.202 3.577 30 20 CHED CC(C)(C)Oc1cccc(CON=Cc2cccs2)n1 768303231 YIABOOCHOOHTLU-UHFFFAOYSA-N 290.388 3.871 30 20 CHED Cc1cccc(NN=Cc2ncccc2C(F)(F)F)c1 765543021 KQSBKFSKFFMIOB-UHFFFAOYSA-N 279.265 3.855 30 20 CHED C=C[C@](C)(CC)COC(=O)c1conc1C(C)C 860691588 ONTSATAISSXQKV-CQSZACIVSA-N 251.326 3.557 30 20 CHED C#CCCCSc1ncc(-c2ccc(F)cc2)[nH]1 766289254 YPNOQRUYVVDSLK-UHFFFAOYSA-N 260.337 3.721 30 20 CHED C#CCCCCCc1nc(Cc2cccc(F)c2)no1 761334258 YLIXMWXJGDUHPB-UHFFFAOYSA-N 272.323 3.536 30 20 CHED CCC(=NNc1cncc(Cl)n1)c1cc(C)ccc1C 863079488 OTPDNVHTVGEJTA-UHFFFAOYSA-N 288.782 3.973 30 20 CHED CC(=NNc1cccc(C#N)c1)c1csc(C(C)C)n1 768773378 NLCZWDCLPHFHAC-UHFFFAOYSA-N 284.388 3.974 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 860825454 INMKEDDEYLADAO-YQQAZPJKSA-N 285.387 3.799 30 20 CHED C#Cc1cccc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 766444512 CMZZNJOUAMRYFO-JXFKEZNVSA-N 290.410 3.600 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC[C@@H]1C[C@H]2CC[C@H]1C2 762556167 LXPZHVBKOQRNMW-AJNGGQMLSA-N 270.376 3.826 30 20 CHED CC(Cc1ccsc1)=NNc1ncnc2ccsc12 764839990 DPWNGHOXNIRAHO-UHFFFAOYSA-N 288.401 3.783 30 20 CHED CC(C)(O)CNN=C1CCC[C@@H](c2ccc(Cl)cc2)C1 863137366 WYDUTEABUABMNQ-CYBMUJFWSA-N 294.826 3.714 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)c(F)c2)cnc1Cl 760260166 LAQDKYQNQKGJIS-UHFFFAOYSA-N 299.683 3.907 30 20 CHED C#CCCOC(=O)c1cc(C(C)C)nc2ccccc12 765928296 MCPOTBXKEQLBPQ-UHFFFAOYSA-N 267.328 3.538 30 20 CHED CCc1ccnc(-c2noc(-c3cccc(C#N)c3C)n2)c1 1117603858 LPGKHSXSJVXTTC-UHFFFAOYSA-N 290.326 3.541 30 20 CHED C[S@](=O)c1ccc(C=NNc2ccccc2Cl)cc1 1116209077 HQODPXKAYOURCB-IBGZPJMESA-N 292.791 3.523 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCCOc2cc(F)ccc21 776725791 OUMXWOVGTVQWPA-SKCQWOFPSA-N 285.318 3.864 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)[C@@H]1CCCOC1 779780987 ALGAQPKGUJVWRG-LLVKDONJSA-N 287.281 3.887 30 20 CHED C#CCCCN[C@H](c1cccnc1)c1cc2ccccc2o1 779397430 AFQIJPSHBWIMCF-LJQANCHMSA-N 290.366 3.920 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc(SC(F)(F)F)o1 870182158 YPANXHSJJKPOCP-QMMMGPOBSA-N 293.266 3.596 30 20 CHED O=C(/C=C/c1ccc(F)c(Cl)c1)c1cscn1 776193440 YVXVPDLHHVBOJU-DUXPYHPUSA-N 267.712 3.832 30 20 CHED N#C[C@@H](C(=O)C1CCC=CCC1)c1nc(C2CC2)cs1 873542692 XNACZDREGHMDRU-ZDUSSCGKSA-N 286.400 3.943 30 20 CHED C=Cn1cc(C=NNc2cc(Cl)cc(Cl)c2)cn1 773071871 CZSUDBTXBSDLAL-UHFFFAOYSA-N 281.146 3.736 30 20 CHED C=CCOC(=O)c1sc(C2CCCCC2)nc1C 775120377 TUXGVXOQRFWJBV-UHFFFAOYSA-N 265.378 3.842 30 20 CHED C=CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccncc1 776155902 JFERJZUYWZTDOY-RDTXWAMCSA-N 277.371 3.921 30 20 CHED C#CCCCOC(=O)c1ccccc1COC(C)(C)C 773704506 WXUIONNLVOOWDR-UHFFFAOYSA-N 274.360 3.572 30 20 CHED CCOCCON=C(C)c1cc(F)c(Cl)cc1Cl 774422275 KWWINBADMYMTNF-UHFFFAOYSA-N 294.153 3.910 30 20 CHED C=CCOc1cccnc1C(=O)OC[C@@H]1CCC[C@H](C)C1 775112811 OEFFLFXKLNFYTH-UONOGXRCSA-N 289.375 3.630 30 20 CHED C=C(C)CN(C)Cn1nc(-c2ccccc2)sc1=S 777959647 WNFARVHFSQSTKS-UHFFFAOYSA-N 291.445 3.806 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 879165987 VFMZQNATHRRDNZ-GFCCVEGCSA-N 299.374 3.516 30 20 CHED CCC(C)(CC)C(=O)Nc1cc(C#N)c(F)cc1F 876351459 XNFSAXBXRXFEMP-UHFFFAOYSA-N 266.291 3.601 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2cncs2)c1 776433621 HVZGKJJONGILBH-VOTSOKGWSA-N 273.357 3.826 30 20 CHED CCNc1ccc(C#N)cc1NCc1cc(C#N)ccc1F 776848801 GRZVJJVPDNFFMI-UHFFFAOYSA-N 294.333 3.613 30 20 CHED CCCC(CC)=NNCc1cnc2ccccc2c1 776188055 UEHJNXPITDEVAL-UHFFFAOYSA-N 255.365 3.891 30 20 CHED CS[C@@H](C)CCC(=O)N(CCC#N)c1ccc(C)cc1 773293022 ULIIAYUFUCWWRR-AWEZNQCLSA-N 290.432 3.773 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 779914146 NTYDIKITRVBXOP-DOTOQJQBSA-N 293.451 3.528 30 20 CHED N#CCCCCOC(=O)[C@H]1CCc2c(Cl)cccc21 775928477 AIYXNALZIKWILZ-ZDUSSCGKSA-N 277.751 3.607 30 20 CHED Cc1cc(NC(=O)c2ccc(CC#N)cc2)c(C)c(C)c1O 774823567 IRBYMUWARMNMCB-UHFFFAOYSA-N 294.354 3.636 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ccc(-c2ccccc2)cc1F 775488893 WOQSITNNNSBBPU-GFCCVEGCSA-N 297.333 3.916 30 20 CHED N#Cc1ccc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)cc1F 1129459678 OZRJWWADIRUSFR-RYUDHWBXSA-N 286.350 3.852 30 20 CHED C#CCC1(C(=O)N[C@H]2CC[C@H](C)CC2)CCCCC1 788208990 HDGSMGAAVZBWKW-SHTZXODSSA-N 261.409 3.655 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1cccc2ncccc12 786612410 TTYYFURJMONYER-MRXNPFEDSA-N 255.317 3.743 30 20 CHED CCCC[C@H](CC)C(=O)Nc1cc(C#N)ccc1OC 64455931 KBFSRRDIJSVUBA-ZDUSSCGKSA-N 274.364 3.722 30 20 CHED C=C(CC)C(=O)NCCc1nc(C2CCCCC2)cs1 1123564678 PCGZPXDYVLIGRM-UHFFFAOYSA-N 292.448 3.816 30 20 CHED Cc1[nH]c2ccc(C(=O)OC3(CC#N)CCC3)cc2c1C 788144260 BMHHNXDGZUBZOX-UHFFFAOYSA-N 282.343 3.778 30 20 CHED C#Cc1cccc(N(C)C(=O)c2occc2C(C)C)c1 786080834 AKSXCAOHCCPADR-UHFFFAOYSA-N 267.328 3.661 30 20 CHED C[C@@H]1CC[C@@H](/N=C\c2cc3ccccc3nc2O)C1 780148430 GIDBWLAGCILEFV-HVIMTOHBSA-N 254.333 3.548 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 786343244 ITSMEFGWMLPRHA-MGPQQGTHSA-N 263.381 3.828 30 20 CHED c1ccc2c(c1)C(=NNCCc1ccncc1)c1ccccc1-2 789097808 VJBIYMAXVRIFPE-UHFFFAOYSA-N 299.377 3.647 30 20 CHED C=CC(C)(C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 891145311 NUJXNYIJJSIJLE-UHFFFAOYSA-N 290.363 3.548 30 20 CHED C=C1CCC(C(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 898792088 YELXXNUASAAOOH-IRXDYDNUSA-N 291.435 3.541 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(Cl)cc2)c(C2CC2)n1 899333687 RPUMHOMHGIBJKG-RMKNXTFCSA-N 286.762 3.847 30 20 CHED CC[C@H](C)CON=C(C)c1ccc(N2CCCC2)cc1O 793160018 SSRPQUXSZZDREV-ZDUSSCGKSA-N 290.407 3.779 30 20 CHED FC(F)(F)c1cccc(NN=C2CCC23CCC3)n1 799882308 MACSGAAMDCRSNP-UHFFFAOYSA-N 269.270 3.832 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C)c(Cl)c2)c1 103029520 PWAYWFHKTSPJAQ-UHFFFAOYSA-N 283.758 3.906 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CCSc2ccc(F)cc21 185071615 YROHMLKQTALVPF-ZDUSSCGKSA-N 291.391 3.528 30 20 CHED C=CCN(CCC)Cc1cc(Br)ccc1F 303112283 OBOVFBJANLYANZ-UHFFFAOYSA-N 286.188 3.986 30 20 CHED C=CC[C@H](CC)NCc1cc(Br)cs1 389263571 IMZARBCNOYLOSX-JTQLQIEISA-N 274.227 3.955 30 20 CHED C=CCN(C(=S)Nc1cc(Cl)ccc1OC)C1CC1 792685680 GWCFNRIBMUYOKV-UHFFFAOYSA-N 296.823 3.696 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccccc1F 793175630 WXMWEFLILMEUMM-UHFFFAOYSA-N 263.703 3.710 30 20 CHED N#Cc1cccc(C(=O)OCCSCc2ccccc2)c1 790630311 PQFUWZJWWWZTBT-UHFFFAOYSA-N 297.379 3.648 30 20 CHED Cc1ccccc1-c1cccc(C=NNCC(C)(C)CO)c1 799117123 PUVSZKPODNDJQZ-UHFFFAOYSA-N 296.414 3.604 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1F 799497841 BHLCJWILPCEWHT-SOFGYWHQSA-N 296.257 3.502 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H]1c1ccncc1 277843246 XCJUKVCKEBGEKI-INIZCTEOSA-N 271.408 3.939 30 20 CHED CSCc1ccc(NC(=O)c2ccccc2CC#N)cc1 1136600336 NUCBQHXJWJZJNP-UHFFFAOYSA-N 296.395 3.868 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cn(C(C)C)nc1C 798370515 PBXMKKIWPCYRSZ-WAYWQWQTSA-N 258.321 3.570 30 20 CHED CC[C@H](C)CON=C1CCC(C(=O)OC(C)(C)C)CC1 793163449 KWTCDTXWQDRGCW-UEWDXFNNSA-N 283.412 3.937 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C)c(C#N)c1 799344010 QGUINRYYXLFYEK-YOEHRIQHSA-N 284.403 3.908 30 20 CHED CC(C)n1nccc1C=NNc1ncc(Cl)cc1Cl 794469897 AQBPDHHYUMBMFN-UHFFFAOYSA-N 298.177 3.612 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1C#N 799495261 MDQQAIPDJFXWGC-POHAHGRESA-N 277.323 3.771 30 20 CHED Fc1ccc(/C=C\C=NNc2ncccc2F)cc1F 794990461 NQJPUMNAZDDELD-YQDNRCBRSA-N 277.249 3.610 30 20 CHED CC[C@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1C 194591828 ORVCJJMTWQPBNH-AWEZNQCLSA-N 271.364 3.663 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc(F)cc1Br 790188055 DGXKRZIAHKFXOW-MRVPVSSYSA-N 287.176 3.700 30 20 CHED COc1ccc(CNc2ccc(C)cc2F)cc1C#N 87822810 JFRWOUSTWARROW-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=C(CC)CN1CCC[C@H]1C[C@@H](O)c1cccs1 773424747 OASHNCDIZSLHRP-UONOGXRCSA-N 265.422 3.602 30 20 CHED C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C 90824970 BEFDHRYZAQLGLL-AOOOYVTPSA-N 268.282 3.669 30 20 CHED C[C@H](N[C@H](C)c1ccccc1O)c1cccc(C#N)c1 783516278 GJYFKLDQFAWNRL-QWHCGFSZSA-N 266.344 3.676 30 20 CHED COc1cc(CSc2ccc(Cl)cc2C#N)ccn1 1165764205 MNHFETQGRATMBG-UHFFFAOYSA-N 290.775 3.908 30 20 CHED CC[C@@H](CN(CC)c1ccnc(C#N)c1)c1ccccc1 1163106226 JTNYLWXEGKINIB-HNNXBMFYSA-N 279.387 3.973 30 20 CHED N#Cc1ccnc(CS[C@@H]2CCOc3ccccc32)c1 1165818903 ZWTBEKGRRLYYMK-MRXNPFEDSA-N 282.368 3.710 30 20 CHED N#CCOc1ccc(NC[C@@H]2C[C@@H]2c2ccccc2)cc1 1319728741 CNWDNUFCMMURID-MAUKXSAKSA-N 278.355 3.805 30 20 CHED C=C(Br)CN1CCCc2cccc(CC)c21 1167869270 XFDCXTSJKDGFMB-UHFFFAOYSA-N 280.209 3.910 30 20 CHED CC(=NOC(C)(C)C)c1ccc(Br)cc1 1319579647 XCHXADOFTTUDLL-UHFFFAOYSA-N 270.170 3.988 30 20 CHED COc1cc(/C=C2/Cc3c(C)cccc3C2=O)ccc1F 1319574113 WSMMSMSXLOYROE-JYRVWZFOSA-N 282.314 3.965 30 20 CHED C=CCN(C(=O)c1c(CC)oc2ccccc12)C1CC1 1320982047 OLAPDQVPPKBSIO-UHFFFAOYSA-N 269.344 3.786 30 20 CHED N#CCOc1ccc(NCc2cc3ccccc3[nH]2)cc1 1320960084 APFREWPXGHAEDR-UHFFFAOYSA-N 277.327 3.682 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(F)c1 1322617289 WSRXIGMBTHMAPU-UMNHJUIQSA-N 266.747 3.822 30 20 CHED CC[C@@H]1C[C@H]1Nc1nc2c(c(C#N)c1C#N)CCCCCC2 1186267331 QGCSQRMUZFOVLU-SJKOYZFVSA-N 294.402 3.694 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 1337140593 BAINATFFZFQXEW-LJQANCHMSA-N 299.823 3.513 30 20 CHED N#Cc1ccccc1N(C(=O)C1[C@H]2CCCC[C@H]12)C1CCC1 1338041795 FZQOPNMSQFDYFV-HOTGVXAUSA-N 294.398 3.880 30 20 CHED CC(C)(C)c1cnc(C=NNCc2ccc(F)cc2)s1 1330310680 MOURJUSUMSWACB-UHFFFAOYSA-N 291.395 3.703 30 20 CHED Cc1cc(C)c(C(=O)O[C@@H](C)CC#N)cc1Br 1341932174 ZZHXPFFDUZVWRA-JTQLQIEISA-N 296.164 3.525 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(C)c(O)c(C)c1C 1346763831 JXFPKWQTGFGVQF-UHFFFAOYSA-N 261.365 3.858 30 20 CHED N#CCOc1ccc(N[C@@H](c2cccnc2)C2CCC2)cc1 1344439785 MOVJLWDNTLEOIJ-GOSISDBHSA-N 293.370 3.937 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1345619412 SGUYAYZWQBHTAV-AWEZNQCLSA-N 289.423 3.560 30 20 CHED N#Cc1ccccc1N(C(=O)C1CCCC1)C1CCC1 1350241333 GLJNIUPVAOIONM-UHFFFAOYSA-N 268.360 3.634 30 20 CHED CSCC1(CCNc2cc(C#N)cc(Cl)n2)CC1 1515891518 KNGYWGWCDWCDEE-UHFFFAOYSA-N 281.812 3.552 30 20 CHED C=C(C)CCC(=O)O[C@@H](c1ccccn1)C(F)(F)F 1524793002 JAHXRSRIKWNUHR-LBPRGKRZSA-N 273.254 3.585 30 20 CHED CCc1ccc(CCC(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 1528082590 ZPEHHLSHSTVERV-IRXDYDNUSA-N 285.387 3.807 30 20 CHED N#CC[C@H](OC(=O)C1CCCCCC1)c1ccco1 1526991322 ADCLHBJERZTWCX-AWEZNQCLSA-N 261.321 3.748 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C)cc1 1520123331 GVQOBILODMKOMX-OAHLLOKOSA-N 258.365 3.958 30 20 CHED C[C@@H](NCc1cc(F)ccc1F)c1cccc(C#N)c1 111405193 IVLYDTVWOBVPMN-LLVKDONJSA-N 272.298 3.687 30 20 CHED CN(c1ccc(C#N)cn1)[C@@H]1CCC[C@@H]1C(C)(C)C 1612504838 KSOBXKLSVQZRAU-UONOGXRCSA-N 257.381 3.604 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncccc1C#N 1472883738 FVRYSIXQQYQWLV-PBHICJAKSA-N 277.371 3.726 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 1548688736 IKIPSNMDOMBBAL-UHFFFAOYSA-N 298.390 3.538 30 20 CHED Cc1ccc(CN(C)c2ncc(C#N)cc2Cl)cc1C 1640030018 YNMLYZGLHHDCRC-UHFFFAOYSA-N 285.778 3.860 30 20 CHED Cc1nc(C#N)cc(N(C)C2CCC(C(C)(C)C)CC2)n1 1642154133 MNMHBWXGGHCCKL-UHFFFAOYSA-N 286.423 3.698 30 20 CHED C=CC[C@@H](S[C@@H](C)c1ccc(OC)cc1)C(=O)O 1573352386 BDLQSKWHKXAYSN-GXFFZTMASA-N 266.362 3.519 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H]1C1CCC1 1658800145 ZRGANJLICRGJPO-HUUCEWRRSA-N 270.376 3.948 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl 230003358 QXOHEBHGMSMJHT-LLVKDONJSA-N 276.767 3.976 30 20 CHED Cc1ccoc1CNc1c(Br)cccc1C#N 1655534874 XARROIWUIFHRPK-UHFFFAOYSA-N 291.148 3.834 30 20 CHED Cc1ccc2oc(CNC(=O)c3cc(C#N)cs3)cc2c1 1586387181 SIBRKIQPZSYDMB-UHFFFAOYSA-N 296.351 3.604 30 20 CHED Cc1ccc([C@H](O)CNc2cc(Cl)ccc2C#N)cc1 122622962 HSOQAVXKKIAYOV-MRXNPFEDSA-N 286.762 3.666 30 20 CHED Cc1[nH]nc(NCc2ccccc2-c2ccccc2)c1C#N 1662601470 ZSCWDQBWUUHKBS-UHFFFAOYSA-N 288.354 3.869 30 20 CHED Cc1ccc(COc2ccc(C#N)cc2F)cc1C 232364049 MZOJZIICPBCXOQ-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC(C)C(C=NNc1ccc(C(=O)O)c(F)c1)C(C)C 1776075268 XSLKXANHTZIBNU-UHFFFAOYSA-N 280.343 3.850 30 20 CHED CCc1ccc(/C=C2\CCc3occ(C(=O)O)c3C2=O)cc1 1776968887 GRWKLOYOXJSUIV-UKTHLTGXSA-N 296.322 3.753 30 20 CHED C=C(Cl)CNC(=O)NC1CCC(CC)(CC)CC1 1682211056 JIYARQZWAHZVKH-UHFFFAOYSA-N 272.820 3.787 30 20 CHED C[C@]12C[C@@H]1CCCC2=NNc1ccc(F)c(C(=O)O)c1 1776062773 JLZGNPPNVATZQF-VFZGTOFNSA-N 276.311 3.502 30 20 CHED Cc1ccc(Cl)cc1NN=Cc1ccc(C(=O)O)cc1 1776106367 CCHNKRSNPKDYHE-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C[C@H](Nc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 19916135 QIFUJMQWULPSOY-LBPRGKRZSA-N 280.327 3.503 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCCc3sccc32)cc1 161175453 KAVCOBMZQDNBMW-AWEZNQCLSA-N 297.383 3.819 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2ccc3[nH]ccc3c2)c(F)c1 153344717 PXKHFFXBRKUZAD-UHFFFAOYSA-N 297.264 3.570 30 20 CHED N#Cc1ccc([C@H](O)CN(CC2CC2)C2CCCCC2)cc1 156052167 WYBCMMKKNBUSQB-LJQANCHMSA-N 298.430 3.636 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](C)c1ccc(F)cc1F 157173425 JXULNSBKORGPMF-LBPRGKRZSA-N 281.346 3.883 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 154609059 BBGOFLVDYZYNLU-KRWDZBQOSA-N 299.418 3.526 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)c1cnn(C)c1 159141475 RCJONTISOZVHSB-AWEZNQCLSA-N 279.428 3.738 30 20 CHED CN(C(=O)c1cccc(Cl)c1F)c1ccccc1C#N 124765526 CGKQYCLLMRCACS-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=CCCCCCCCCN[C@H]1CCN(C)[C@@H](C)C1 806175766 FDMLQUXMKDPIPW-IRXDYDNUSA-N 266.473 3.975 30 20 CHED C[C@H](CCC(C)(C)C)NCc1ccc(C#N)s1 176972663 FZRHNCKSTPSROW-LLVKDONJSA-N 250.411 3.924 30 20 CHED Cc1ccc(CNc2nc3c(cc2C#N)CCCC3)s1 50225648 SZSNILKQOBULGH-UHFFFAOYSA-N 283.400 3.814 30 20 CHED Cc1ccc(C#N)c(Oc2cc(Cl)ccc2[N+](=O)[O-])n1 51609127 NDXNBCKDBWTWAU-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=CCSCCN[C@H](C)c1ccccc1OC(F)F 180454525 FPSDSMOHVBZSKW-LLVKDONJSA-N 287.375 3.858 30 20 CHED Cc1cc(NCc2cc(C#N)ccc2F)ccc1F 61096734 QRNAEJIBSFHOEO-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC[C@H](CNCC(C)(C)CCC#N)CC(F)(F)F 402670671 NWDPSJONOVYCFU-NSHDSACASA-N 264.335 3.885 30 20 CHED CN(c1nc2ccccc2cc1C#N)C1CCCCC1 70217990 ZKXMBDSXHOIAAU-UHFFFAOYSA-N 265.360 3.875 30 20 CHED CC[C@@H](CNCc1ccc(C#N)s1)CC(F)(F)F 402638510 BWPBBUSUSKWQEZ-SECBINFHSA-N 276.327 3.688 30 20 CHED C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCCC#N 349301698 QXGRKBUXLYQKEN-NSHDSACASA-N 296.823 3.631 30 20 CHED CS[C@H]1CC[C@@H](N(C)CCCC(C)(C)C#N)C1 687820421 SCLPXVLQDYMNGO-OLZOCXBDSA-N 254.443 3.532 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccn(C2CCCC2)n1 796638601 BQNVIDLYDSTPFK-UHFFFAOYSA-N 293.414 3.634 30 20 CHED CC[C@@H](C#N)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 179247040 DOLIZRVRWUZZDM-AWEZNQCLSA-N 290.794 3.570 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2cccc(F)c2C#N)C1 227360079 NFEZJHPLCFRXGM-GHMZBOCLSA-N 264.369 3.783 30 20 CHED C=CCCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 175697448 VJHDZCRJQVIUFJ-HOCLYGCPSA-N 257.377 3.747 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 58678182 YOPHHYMIWKEIPB-QGZVFWFLSA-N 291.354 3.757 30 20 CHED CC(C)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 106724633 JMPUZZKJQOCPAW-UHFFFAOYSA-N 298.317 3.628 30 20 CHED C[C@@H](c1ccco1)N(CCOc1ccccc1C#N)C1CC1 119222900 GPTVEVPQTBTHJQ-AWEZNQCLSA-N 296.370 3.756 30 20 CHED C#Cc1cccc(NC2CCN(Cc3ccccc3)CC2)c1 20542104 GKLVNDHATGJMTM-UHFFFAOYSA-N 290.410 3.744 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Nc1ccnc(C)c1 119743551 DHNDTFWECCJGHD-UHFFFAOYSA-N 295.386 3.653 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2C[C@H]3CCC[C@H]3C2)c1 302284149 KYGPONJODNHIKT-TXEJJXNPSA-N 280.293 3.813 30 20 CHED CCO[C@H](CNc1ccc(F)cc1C#N)c1ccccc1 302822620 KTMOCMATIPZINW-QGZVFWFLSA-N 284.334 3.887 30 20 CHED C=C(Br)CN(CC)[C@@H](C)c1cccc(O)c1 178374295 KPTKIPUJMHDESB-NSHDSACASA-N 284.197 3.684 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1nnc(C)c(C)c1C#N 302231068 RWXMDOFCIJMYGP-AWEZNQCLSA-N 280.375 3.755 30 20 CHED C=CCCCC(=O)N1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 177843633 DXFMTAYZGCDJMG-RVKKMQEKSA-N 287.403 3.720 30 20 CHED CC(C)(CNc1c(C#N)cccc1C#N)c1ccccc1 302766526 AFKWJXCVNDFTBO-UHFFFAOYSA-N 275.355 3.820 30 20 CHED N#CCCCCNC(=O)c1ccccc1Oc1ccccc1 171506983 UYBOYCZFYYQUTK-UHFFFAOYSA-N 294.354 3.903 30 20 CHED C[C@H](NCCCCC#N)c1ccc(F)c(Br)c1 178641370 WKJAQKAUKXSKIZ-JTQLQIEISA-N 299.187 3.933 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCC[C@H](C)C1 303837406 CKOJKELGOZYLRE-GOEBONIOSA-N 278.440 3.991 30 20 CHED CC(C)(C)CCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 121525460 VTYUUTDQNNGATI-NSHDSACASA-N 269.348 3.565 30 20 CHED N#Cc1csc(CN(Cc2ccccc2F)C2CC2)c1 120571564 NOXNFIARWSONCD-UHFFFAOYSA-N 286.375 3.923 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@]3(C)CCCO3)c2c1 301577999 RPQDNLPJQCUXMC-SFHVURJKSA-N 295.386 3.704 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(Cl)ccc1F 181519951 GKCZQBGEQMAOCZ-UHFFFAOYSA-N 256.708 3.519 30 20 CHED C=C(C)CNC(=O)Nc1nc(C)c(-c2ccccc2)s1 122416259 CJXBGBWHJOZIAL-UHFFFAOYSA-N 287.388 3.816 30 20 CHED CCCC(O)(CCC)CN[C@@H](C)c1ccc(C#N)cc1 181779005 ZMDLYFYYLBMERY-AWEZNQCLSA-N 274.408 3.540 30 20 CHED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccccn1 181813226 XOBSRYFORKXOQB-CQSZACIVSA-N 279.387 3.734 30 20 CHED CC#CCCCC(=O)Nc1cc(Br)ccc1C 185194216 HRTBXUASXCELLD-UHFFFAOYSA-N 294.192 3.890 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 76580443 FVMJSBXNXSDYHI-HNNXBMFYSA-N 286.419 3.736 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 185492985 SCKMPBJNDMCWSH-GFCCVEGCSA-N 292.448 3.811 30 20 CHED N#C[C@@H](C(=O)c1cncc(-c2ccccc2)c1)c1ccccn1 124519269 ZEUPZAMBSDYOGO-QGZVFWFLSA-N 299.333 3.634 30 20 CHED CC[C@@H](C#N)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 122239376 FSWIAYWXBMNRFK-WMZOPIPTSA-N 279.387 3.566 30 20 CHED Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(O)c1 36991778 XDIVXJDJJYLSKI-KBPBESRZSA-N 280.371 3.984 30 20 CHED Cc1ccc(C(=O)/C=C/c2scnc2C)cc1[N+](=O)[O-] 78692203 SRRMOUSDXGPMQU-AATRIKPKSA-N 288.328 3.564 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 75308839 HHXYHBXLOJEBLY-KBPBESRZSA-N 287.407 3.524 30 20 CHED C=CCC[C@H](NCc1nc(C(C)C)no1)c1ccccc1 180039115 SHPPSRBMPCJBSE-HNNXBMFYSA-N 285.391 3.990 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)cnn1C 210480710 LRZSOIMJIMNJSY-FLIBITNWSA-N 282.387 3.922 30 20 CHED C=C[C@H](CC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1)c1ccccc1 509338620 RUXIAACYGVEFBG-RFZNHBKKSA-N 295.426 3.851 30 20 CHED CC[C@@H](CC(=O)N[C@]1(C#N)CCc2ccccc2C1)C(C)C 183927163 HOMLJSQBAVCBMY-HNAYVOBHSA-N 298.430 3.626 30 20 CHED CC1(C)C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CCO1 70350652 XQEYJVXYMDMJAG-LLVKDONJSA-N 298.308 3.947 30 20 CHED N#Cc1cnc(NC[C@H](c2ccccc2)C2CC2)c(F)c1 413306119 UMHYADYGSRGNGM-OAHLLOKOSA-N 281.334 3.698 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 410834110 JGQWZOQJQRGEHQ-MELADBBJSA-N 264.413 3.599 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NC1CC(c2ccccc2)C1 315743988 OLUFZWZNOGALGU-UHFFFAOYSA-N 293.326 3.825 30 20 CHED Cc1ccc(CC(C)(C)NC(=O)c2cc(C#N)oc2C)cc1 416051613 BAAYCSMRTLIYRP-UHFFFAOYSA-N 296.370 3.519 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCCCCSC 188581136 KXFQKVIRZVMERI-AWEZNQCLSA-N 257.443 3.628 30 20 CHED CS[C@@H]1CC[C@@H](Nc2cc(Cl)ccc2C#N)C1 78476399 CEDKBUDXGWRHHE-VXGBXAGGSA-N 266.797 3.908 30 20 CHED N#Cc1cc(NC(=O)CCc2ccsc2)ccc1Cl 48824269 DWVFGKOJSXEYLG-UHFFFAOYSA-N 290.775 3.844 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(C(C)=O)cn1)c1ccccc1 188874604 GJCUUBUUSXKAQK-MRXNPFEDSA-N 294.354 3.583 30 20 CHED CC(C)[C@@H](C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505912691 NKSIBVICQJKLQD-MFKMUULPSA-N 298.308 3.678 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cnc(-c2ccccc2)s1 188109210 SAJZCLMSJCLMPW-LBPRGKRZSA-N 286.356 3.659 30 20 CHED N#Cc1csc(CNC[C@@H]2CCC[C@H]2C2CC2)c1 414486937 RLISCQAKOFHWKA-ZFWWWQNUSA-N 260.406 3.536 30 20 CHED CC[C@H](CNc1c(C#N)cccc1C#N)CC(F)(F)F 413517224 GZFKDNXOVMHDIF-JTQLQIEISA-N 281.281 3.820 30 20 CHED N#CC1(CCN[C@H](CCO)C2CCCCC2)CCCCC1 411497336 YYZVEJZVVBLWDE-QGZVFWFLSA-N 292.467 3.771 30 20 CHED CN(CCC(C)(C)C#N)Cc1ccccc1Br 87595235 LZRGCCIVHQCEPD-UHFFFAOYSA-N 295.224 3.821 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1NCc1cc(C#N)ccc1F 85289103 UMWGEDUOHLQKPI-UHFFFAOYSA-N 299.305 3.835 30 20 CHED CC(C)(C)N1CCC(Nc2cccc(Cl)c2C#N)CC1 603870422 GUTNQNFOHDBMGY-UHFFFAOYSA-N 291.826 3.886 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1ccc(C)cc1 80079315 SMJSBFILMVZSAB-CQSZACIVSA-N 260.381 3.664 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 86280059 DHFVNNIRHKPWSE-QMMMGPOBSA-N 286.162 3.759 30 20 CHED CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 43329869 VDZDKAUTKSFHHF-UHFFFAOYSA-N 297.333 3.751 30 20 CHED CCC(C)(C)CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425514750 RCCSZDMEQMXELT-CYBMUJFWSA-N 287.407 3.697 30 20 CHED C[C@@H]1CC[C@@H](C(O)=Nc2ccc(C3CCC3)cn2)O1 329358492 BLWGUANSRJNXCX-MFKMUULPSA-N 260.337 3.505 30 20 CHED C[C@H]1CC[C@@H](C(O)=Nc2cccc3c2C(O)=NC3)C1 329268635 ICMZXBJJTLIKIY-VHSXEESVSA-N 258.321 3.529 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1ccc(OC)cc1 191201066 YVGFYEAYSPHQNB-SFHVURJKSA-N 289.419 3.691 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 424712591 SHPXJBQWFKJNIU-UONOGXRCSA-N 259.393 3.897 30 20 CHED CC(C)N(C)C(=O)[C@H](C)S[C@@H](C)c1cccc(C#N)c1 190904313 VZUITOIIIDJTDN-STQMWFEESA-N 290.432 3.608 30 20 CHED C[C@@H]1CC[C@@H](C(O)=Nc2ccc3c(c2F)CCN=C3O)C1 328906594 KXIIYSHGPUNOHT-NXEZZACHSA-N 290.338 3.711 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)c(OC)c(F)c1 190859579 SCHIXMJKJGIFDA-AWEZNQCLSA-N 269.291 3.514 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc(Cl)ccc1Cl 42296145 OTYOFEMQQMABOF-SECBINFHSA-N 285.174 3.615 30 20 CHED C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(CC#N)cc1 192837798 JPIJJCSNBOZCMJ-LBPRGKRZSA-N 299.399 3.567 30 20 CHED CC(C)[C@@H](NCc1ccc(C#N)o1)c1nc2ccccc2[nH]1 85301500 NNLJYTDFSVMILF-MRXNPFEDSA-N 294.358 3.514 30 20 CHED N#CC1CCN(Cc2csc(Cl)c2Cl)CC1 336426545 DXHWBMNWQJEIHO-UHFFFAOYSA-N 275.204 3.790 30 20 CHED CC1(NC(=O)C[C@H](CC#N)c2ccccc2)CCCC1 331077322 WZZAWTCDCVFKHP-HNNXBMFYSA-N 270.376 3.523 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2cc(F)ccc2O)cc1 334782051 UKPIBJNVGLINSN-UHFFFAOYSA-N 298.317 3.585 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1cccc(-n2cccc2)c1 339962573 BXZMFFKXCSKQOV-GOSISDBHSA-N 295.386 3.535 30 20 CHED CC1(C)CCCc2cc(C#N)c(NCCCCC#N)nc21 428089091 FPEVNJCJAYZGAH-UHFFFAOYSA-N 282.391 3.673 30 20 CHED C[C@@H](NCCNC1CCCCCC1)c1ccc(C#N)cc1 423273226 ITXZHGANEGNNRL-OAHLLOKOSA-N 285.435 3.521 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccs1 336615935 XPCAWQZVDPZKOV-INIZCTEOSA-N 268.385 3.787 30 20 CHED COc1ccc([C@H](C)NCC2(CC#N)CC2)c(Cl)c1 424356631 VMPTVRSLZFLZGV-NSHDSACASA-N 278.783 3.693 30 20 CHED CC(C)(C)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 230141926 UVPAECPHRIDKFV-CQSZACIVSA-N 260.356 3.565 30 20 CHED Cc1cc(CN(C)[C@@H](C)CC#N)cc(C)c1OC(F)F 93090606 YCEKHHQOSMQJJR-LBPRGKRZSA-N 282.334 3.639 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)c(Cl)c1C 335983406 JSWQFZGDZOVERJ-LBPRGKRZSA-N 278.783 3.625 30 20 CHED CSc1ccsc1C(=O)Nc1ccc(F)c(C#N)c1 336594809 NDDBERANOYYLPN-UHFFFAOYSA-N 292.360 3.733 30 20 CHED C[C@H]1C[C@H](C(=O)N2CCC(CCC#N)CC2)CC(C)(C)C1 335501949 SUHFLMKWQMQUAU-HOCLYGCPSA-N 290.451 3.991 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C2CC2)C1 335995993 PKWDQMUMNYITGX-HNNXBMFYSA-N 283.375 3.521 30 20 CHED N#Cc1ccc(NC(=O)C2Cc3ccccc3C2)c(Cl)c1 236026493 DQGJCPIYZNBJAR-UHFFFAOYSA-N 296.757 3.565 30 20 CHED CN(CC(C)(C)CCC#N)[C@@H]1CCCN(c2ccccc2)C1 93511468 YOUXNBAZEMHLTG-GOSISDBHSA-N 299.462 3.917 30 20 CHED N#Cc1ncc(OCc2ccc(-c3cccs3)cc2)cn1 434651200 VONMTLVTABSDNU-UHFFFAOYSA-N 293.351 3.656 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccccc2Cl)o1 92399021 FQHVLXFUYWINMA-UHFFFAOYSA-N 274.751 3.945 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1 91671849 OQXGRBINESQCDB-UHFFFAOYSA-N 295.338 3.534 30 20 CHED Cc1ccc(OC(F)F)c(CN(CC#N)C2CCCC2)c1 93563407 MOFWXTSOEFSJEB-UHFFFAOYSA-N 294.345 3.865 30 20 CHED Cc1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)c(Cl)c1 335308386 VVRMWUZZHZQBEE-UHFFFAOYSA-N 288.778 3.699 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H](C)c2ccco2)c1 529470288 DFGNKXYEVAJZMP-GFCCVEGCSA-N 268.316 3.592 30 20 CHED C=CCOCCN1CCCC[C@@H]1c1nc2ccccc2o1 339049181 VGIQEFKZUXPTIV-OAHLLOKOSA-N 286.375 3.557 30 20 CHED Cc1cccc([C@H](C)CN=c2ccc(Cl)c(C#N)[nH]2)c1 524945845 PTVSRSYOWYYSNC-GFCCVEGCSA-N 285.778 3.553 30 20 CHED C=CCSCCNC(=O)CCSc1ccc(C)cc1 345080554 MOTBCRQTYUYNIX-UHFFFAOYSA-N 295.473 3.513 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)CSC)CCCC1(C)C 347418973 BBVCDFUJJBRARP-STQMWFEESA-N 269.454 3.579 30 20 CHED COCc1ccc(NCc2sccc2C)cc1C#N 527762935 KDNVECKEFRWTFI-UHFFFAOYSA-N 272.373 3.687 30 20 CHED C=CC[C@H](C)[C@H](C)NCC1(CO)CC(c2ccccc2)C1 433092291 OAYVOULJBYOFNS-XYCLOBBJSA-N 287.447 3.733 30 20 CHED C#CCN(C(=O)Nc1ccccc1F)C1CCCCC1 49444499 FIXJINGKOJFRDZ-UHFFFAOYSA-N 274.339 3.626 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 246843212 DAIFIRRTRKRUMR-WCFLWFBJSA-N 297.320 3.890 30 20 CHED C=CCN(CCC#N)Cc1cc2c(C)c(C)ccc2[nH]1 430082025 DGNSQKWJJINPOY-UHFFFAOYSA-N 267.376 3.686 30 20 CHED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C)[nH]1 603618778 LJEMKZVKIFZUSH-UHFFFAOYSA-N 295.386 3.554 30 20 CHED C=CCCCCNC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 437779326 WIGLSHBFIREUJY-KOMQPUFPSA-N 290.382 3.727 30 20 CHED C[C@@H](CCC#N)CNCc1ccsc1Br 602659762 WSGGWQZCLYBIGU-VIFPVBQESA-N 287.226 3.540 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N1CCCC(C)(C)[C@H]1C#N 529170711 LPDAIHVZCFPFLO-NVXWUHKLSA-N 298.430 3.714 30 20 CHED C[C@@H](N(C)C(=O)c1cc2ccccc2n1CC#N)C(C)(C)C 609162211 GLNZFAYVSBCZTB-CYBMUJFWSA-N 297.402 3.671 30 20 CHED Cc1cccc(N[C@H](C#N)Cc2ccccc2)c1C 604553161 VGZIDYGRUHZBQD-INIZCTEOSA-N 250.345 3.850 30 20 CHED Cc1ccc(F)c(C(=O)N(CCC#N)CC(C)(C)C)c1F 346708849 RQSWZIPGBRKYCD-UHFFFAOYSA-N 294.345 3.675 30 20 CHED Cc1ccc(F)c(CN(C)Cc2cccc(C#N)c2F)c1 444733770 KBGDQEDXNQSGTP-UHFFFAOYSA-N 286.325 3.777 30 20 CHED COCCCCCON=C(C)c1cc2ccccc2o1 255164515 KPFLCGLTOVBIQJ-UHFFFAOYSA-N 275.348 3.990 30 20 CHED CCCc1nc(CON=Cc2ccc(C)cc2)cs1 255891559 KOTCQYGHCMPIMQ-UHFFFAOYSA-N 274.389 3.955 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(O)c(F)c2)no1 445482569 QRDLGVFMUOEVJH-UHFFFAOYSA-N 274.295 3.817 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccncc1Oc1ccccc1 440899332 ACWSFYOQQRYVGQ-CQSZACIVSA-N 296.370 3.958 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccnc(-c2ccccc2)c1 351136497 AKKGRAFMOCWQLZ-UHFFFAOYSA-N 281.359 3.788 30 20 CHED C=C(C)CN1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 444698618 CRJUQAHLSHIAJA-SWLSCSKDSA-N 265.784 3.678 30 20 CHED CCS[C@H](C)c1noc(CCc2ccc(C#N)cc2)n1 357331706 TXUJWNAKTDVLFQ-LLVKDONJSA-N 287.388 3.541 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@H]3CCCOC3)c2c1 266435805 VEDRUIXLTAOVLJ-CQSZACIVSA-N 295.386 3.562 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 266145438 MIULVSKCPGJDNG-WFASDCNBSA-N 293.794 3.595 30 20 CHED CCCCCCCCCC(=O)N(C)Cc1ccon1 265781874 GGXNBJHHFINEDN-UHFFFAOYSA-N 266.385 3.774 30 20 CHED C=CCC[C@@H](NC[C@H](OC)C(C)C)c1ccco1 353521550 PZWYOKONJDDNGE-HIFRSBDPSA-N 251.370 3.548 30 20 CHED CC[C@@H](NC[C@H](OC)c1ccccc1)c1ccc(C#N)cc1 447559831 BDRIVUXKSGXMBM-MOPGFXCFSA-N 294.398 3.987 30 20 CHED CCCC[C@H](CC)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618788741 ZGHXATQZEJBPLP-YOEHRIQHSA-N 284.403 3.878 30 20 CHED CS[C@@H](C)CCC(=O)Nc1ccc(C(C)(C)C#N)cc1 358445389 VEZLBUCBUKQLIM-LBPRGKRZSA-N 290.432 3.958 30 20 CHED CCC(CC)NC(=O)Nc1ccc(C#N)cc1Cl 269180601 ZNSUNPZJKVPBLM-UHFFFAOYSA-N 265.744 3.522 30 20 CHED Cc1ccncc1[C@H](C)Nc1ncc(Cl)c(C)c1C#N 612090044 ITZVITXSVJHNOO-NSHDSACASA-N 286.766 3.792 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 448645853 CNJCITSQLIHHSN-PBHICJAKSA-N 276.424 3.791 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCc1ccncc1 264745102 FIPGEUUITVIQPX-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C=CCOc1cccc(CN2CCC(C=C)CC2)c1 539830328 LIESFEIZIPWONU-UHFFFAOYSA-N 257.377 3.649 30 20 CHED C=CCOCCCSc1cccc2cccnc12 356057214 IYNLDHKSGCFIPZ-UHFFFAOYSA-N 259.374 3.920 30 20 CHED Cc1ccsc1CCN=c1ccc2cc(C#N)ccc2[nH]1 536892584 GXEKFUJOAPSVIZ-UHFFFAOYSA-N 293.395 3.553 30 20 CHED C=CC(C)(C)C(=O)N(CC)Cc1ccccc1Cl 448664081 HZPCWNREUYFGDA-UHFFFAOYSA-N 265.784 3.901 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2cc(F)ccc21 618805242 NJRAFMSPRJYDEN-MOPGFXCFSA-N 292.357 3.962 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H](C)c2c(C)noc2C)C1 617781797 UILWGJBKBCTAMP-WFASDCNBSA-N 290.407 3.600 30 20 CHED C=C(C)CCNC(=O)CC(C)(C)c1ccc(C)cc1 452720096 DCMHCUFSJSEVBZ-UHFFFAOYSA-N 259.393 3.745 30 20 CHED CC(C)[C@@H](NC(=O)CCCC#N)c1ccc(Cl)cc1F 360782958 PUMAHCAGLYQYQF-OAHLLOKOSA-N 296.773 3.986 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1SC 362679827 NDZZCNAKKLVOBS-MRVPVSSYSA-N 270.785 3.758 30 20 CHED COc1cccc([C@@H]2C[C@H](C)CN2CC2(C#N)CCC2)c1 450708222 CDLLKEANPRIVFW-YOEHRIQHSA-N 284.403 3.772 30 20 CHED C=C(C)CCNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 455325170 MWIZKGPCOMTVTO-MRXNPFEDSA-N 284.403 3.889 30 20 CHED CCCCCC(=O)Nc1ccc(CC#N)cc1Cl 452646849 PLTHHORCZBDTOU-UHFFFAOYSA-N 264.756 3.925 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1cccc(F)c1)C(C)C 458994714 ZMXDKQKHWKKPSI-UHFFFAOYSA-N 292.398 3.958 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@H]1CC(C)C 459231033 HMRVXZXPIZRGDQ-UKRRQHHQSA-N 292.448 3.880 30 20 CHED Cc1csc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1Cl 276696053 VXDCJKYNKRMKCM-YMTOWFKASA-N 296.823 3.912 30 20 CHED C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@@H]2CCCC[C@H]12 543907477 QKPUNAQQQMBSRZ-CSMYWGQOSA-N 272.367 3.708 30 20 CHED C=CC[C@H](C(=O)N1CCc2ccsc2C1)c1ccccc1 275004625 DNHXTRIWNCRHHA-INIZCTEOSA-N 297.423 3.993 30 20 CHED CCC(CC)(CC)CNC(=O)[C@@]1(C#N)CC12CCCC2 450119094 WSXUGWUJMLUPGF-KRWDZBQOSA-N 276.424 3.793 30 20 CHED C=CC[C@H](CO)CNC(=O)CC1CCC(C(C)(C)C)CC1 540420127 HKFIDUXGDONXKW-PCKAHOCUSA-N 295.467 3.530 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1c1cc(C#N)ccn1 450603661 USWRYKXJUJFUQJ-JKIFEVAISA-N 277.371 3.724 30 20 CHED CCO[C@H]1C[C@@H](NCCCCC(C)(C)C#N)C12CCC2 451486087 ZUEQSZLCOIKQKK-CABCVRRESA-N 278.440 3.644 30 20 CHED CC(C)(C#N)CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 450527584 ZVIMJRHAFUPMEE-HZPDHXFCSA-N 284.403 3.626 30 20 CHED CCc1cccc(N(C)CCCC2(C#N)CCOCC2)c1 459588122 FSKRSKNXHPUFTM-UHFFFAOYSA-N 286.419 3.786 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](CCc1ccccc1)C(F)F 628761629 IWEJPGRSIHTUAI-WMLDXEAASA-N 295.373 3.971 30 20 CHED Cc1ccc(C(=O)NC2(C#N)CCCCC2)c(Cl)c1C 541213929 WDURPSLNJRMKBM-UHFFFAOYSA-N 290.794 3.913 30 20 CHED CCC1(C)CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 548633113 ALQKIWCGNKDRIW-UHFFFAOYSA-N 290.794 3.864 30 20 CHED C=CCC[C@H](C)NC[C@@H](OC)c1ccc(Cl)cc1 544565341 KOOAAOVWUFRNKY-SWLSCSKDSA-N 267.800 3.972 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 459008645 LLEXTLBMNGDZNM-XUWVNRHRSA-N 291.439 3.679 30 20 CHED CCC1(CC)[C@H](NCc2ccc(C#N)s2)[C@H](C)[C@H]1OC 540652013 MWSRWLOTHQTCQP-NILFDRSVSA-N 292.448 3.549 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CCCCS1)c1ccccc1 543129038 JFOBWLKTALFPKX-ZBFHGGJFSA-N 289.444 3.748 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1ccccc1OC(F)F 272049176 SZTXQLBZBAIQAD-NSHDSACASA-N 282.334 3.878 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1cccc(C)c1 467745144 WTEMZDOISVUVSK-GOSISDBHSA-N 273.420 3.991 30 20 CHED Cc1cc(N[C@H]2CCCCc3ccccc32)nn1CCC#N 271052458 WZLDVQQOQHPZEG-KRWDZBQOSA-N 294.402 3.985 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H](C2CCCCC2)C1 620689417 NNZFQUIKXNJFSI-QGZVFWFLSA-N 275.436 3.999 30 20 CHED C=C(C)CCc1noc([C@H](c2ccccc2)N(C)CC)n1 289319584 YHNMXVKKTSAYFR-INIZCTEOSA-N 285.391 3.619 30 20 CHED C=CCCCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 468373353 RFPLKWVXMGGYCO-ZOBORPQBSA-N 273.376 3.589 30 20 CHED CC(C)n1ccnc1SCCCC1(C#N)CCOCC1 281111802 ZGFFTCYDSKQUCK-UHFFFAOYSA-N 293.436 3.657 30 20 CHED C=CCCO[C@@H](C)C(=O)NCC[C@@H](C)CC(C)(C)C 468104150 WGHOIIBPKNFKKO-KGLIPLIRSA-N 269.429 3.546 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2ccsc2s1 468003934 KMWRITYGOXDESD-LBPRGKRZSA-N 266.391 3.899 30 20 CHED C=CCCN(C)CCOc1cccc2ccccc12 467283340 IPIZBLPLKGNXCE-UHFFFAOYSA-N 255.361 3.727 30 20 CHED C=CCCO[C@H](C)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1 286627830 RUPPUXBWHUCOME-INMHGKMJSA-N 287.403 3.577 30 20 CHED N#CC1CCN(C(=O)c2ccc(C3CCCC3)cc2)CC1 289593417 BCJWZFCIWAIAQQ-UHFFFAOYSA-N 282.387 3.720 30 20 CHED C=CC1CCN(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CC1 466084350 KKHDZOINQWAAMI-HOTGVXAUSA-N 276.424 3.563 30 20 CHED CCC[C@@H](CCc1ccccc1)N=c1ccc(C#N)c[nH]1 462877263 HEJBGBUCZTUMSH-KRWDZBQOSA-N 279.387 3.589 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 280981588 BKCKBFSODVWMMC-HBNTYKKESA-N 283.824 3.976 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(N2CCOC2=O)c1 281585851 LMCSQRMTNZWCLS-DZGCQCFKSA-N 288.391 3.649 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc21 558384324 UNSRFSTZQZOGMY-LLVKDONJSA-N 296.757 3.976 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC[C@H]1CCCC[C@@H]1C 473586502 BPMGUDUOJLWTTP-ZMSDIMECSA-N 281.440 3.548 30 20 CHED Cc1cccc(F)c1NC(=O)c1cc(C#N)ccc1Cl 552152899 YSIZNVHRKCPJNP-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 294377843 HFTPPIUXJJPBJS-SNVBAGLBSA-N 283.318 3.677 30 20 CHED Cc1ccc(OC[C@H](C#N)CCC#N)cc1Br 295955083 PDSZTSBWBPGQQL-NSHDSACASA-N 293.164 3.580 30 20 CHED C#C[C@@H](NC(=O)CCc1ccc2ccccc2c1)C(C)(C)C 807879000 KKCMSQMMBLWOTJ-GOSISDBHSA-N 293.410 3.937 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(/C=C/C)cc1 554790398 GQWMAZXKIIXVNJ-UABRLCRWSA-N 273.376 3.887 30 20 CHED CSc1ccc(C(=O)/C=C/c2cnccn2)c(Cl)c1 809158402 SWALTWHKGRFZQS-GORDUTHDSA-N 290.775 3.748 30 20 CHED N#CCCCCCC(=O)Nc1ccnc(-c2ccccc2)n1 808556406 XOTDLBODECGPMD-UHFFFAOYSA-N 294.358 3.556 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC[C@@H]1CCCC[C@H]1C 473586499 BPMGUDUOJLWTTP-HLLBOEOZSA-N 281.440 3.548 30 20 CHED C=C(CNC(=O)/C(C)=C/C(C)(C)C)c1ccccc1 809243114 HAPIRLUFUOYVTI-ACCUITESSA-N 257.377 3.808 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@H](C(C)(C)C)C1)OCC 478452907 DLDRGTOSUMFGOV-LSDHHAIUSA-N 281.440 3.642 30 20 CHED CC(C)CCC1CCN(c2ccc(C#N)nc2)CC1 470050981 NXSMGSGLDZTDDJ-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C=CCCC1(C(=O)N2CCC(c3ccc(O)cc3)CC2)CC1 474418338 YCVXGOKVQYIGQC-UHFFFAOYSA-N 299.414 3.845 30 20 CHED C=CC(C)(C)C(=O)NCc1nc2cc(Cl)ccc2s1 294737249 NYKLJPHNPGZXMH-UHFFFAOYSA-N 294.807 3.778 30 20 CHED C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)Oc1ccccc1 567970986 QVMUPEZDKAFENT-KUHUBIRLSA-N 292.382 3.603 30 20 CHED C=CCN(C)C(=O)Nc1c(F)cccc1SCC 290214146 XIXPQZMNNWLODA-UHFFFAOYSA-N 268.357 3.587 30 20 CHED CC[C@@H]1CCC1=NNc1ncnc2sc3c(c12)CCC3 807948725 RDHBSWTYOGIQPO-SECBINFHSA-N 286.404 3.768 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(O[C@@H](C)CC)c1 567021228 OSBWSGPYSGOPCC-STQMWFEESA-N 276.380 3.950 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NCCO[C@H](C)C#N 801937411 MHZBSOGUPZOJBD-NVXWUHKLSA-N 274.408 3.601 30 20 CHED O=C1/C(=C/c2ccsc2)C[C@@H](C(=O)O)c2ccccc21 806560459 MDBCKQYVXIZHJU-DPQIITEBSA-N 284.336 3.586 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cnccc1OC(C)C 809240396 QWJHUCQLZRSUCV-MRXNPFEDSA-N 277.364 3.514 30 20 CHED N#CC1(NC(=O)CCc2ccc(Cl)s2)CCCCC1 298683702 BMZYKIHVHGKTGO-UHFFFAOYSA-N 296.823 3.677 30 20 CHED Cc1cccnc1C(C)(C)CN[C@H](C)c1cccc(C#N)c1 569798605 MPNUPBWTSDVVAZ-OAHLLOKOSA-N 293.414 3.890 30 20 CHED C=CC[C@H](C)[C@@H](C)NC1(c2cccc(C#N)c2)CC1 560260749 FUBAZYQIZIPRDP-UONOGXRCSA-N 254.377 3.738 30 20 CHED N#CCCCC(=O)NCC1(Cc2ccccc2)CCCC1 291963019 RPPQHCHZNRBNQE-UHFFFAOYSA-N 284.403 3.600 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(C(=O)N(C)C)cc1 293858060 YUKQSSBMJYMAAK-CQSZACIVSA-N 288.435 3.641 30 20 CHED C=CCC[C@H](N[C@@H](CO)C[C@H](C)CC)c1ccco1 647337109 KXRBDEAGPNSQOB-KFWWJZLASA-N 265.397 3.674 30 20 CHED C=CCC(F)(F)C(=O)N(C)CCc1ccc(Cl)cc1 815607698 GCWSVNDKJGUVKL-UHFFFAOYSA-N 287.737 3.552 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](CSC)C1 489838427 DHQZVSRKSNMFGJ-KGLIPLIRSA-N 284.469 3.516 30 20 CHED CC[C@@H](C#N)OC(=O)CCCc1ccccc1Cl 810623381 ADLPKHLPRFWVPG-LBPRGKRZSA-N 265.740 3.508 30 20 CHED C=CCCCCOC(=O)[C@H](SC)c1ccccc1 811008312 DSCDTJPBDZPQCS-CQSZACIVSA-N 264.390 3.990 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnc(Br)c(C)c1 819487883 PTMXIVGUWBLDSF-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C=CCC(F)(F)C(=O)NC1CCC(CCC)CC1 815099145 XSJUPCCWTFVWID-UHFFFAOYSA-N 259.340 3.673 30 20 CHED C#CCCNC(=O)NCc1ccc(C2CCCCC2)cc1 814301264 RCEKGRIEBDLPJS-UHFFFAOYSA-N 284.403 3.557 30 20 CHED Fc1ccc2ccc(C=NOC/C=C\Cl)nc2c1F 814933840 BYKMWTHSGDKEMJ-QBBGTMDTSA-N 282.677 3.616 30 20 CHED N#Cc1ccc(OCc2cccc(F)c2C#N)c(Cl)c1 488210327 BRFPGINLSVSQHV-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1ccsc1 819817572 BCIFESPHLVNFCU-NSHDSACASA-N 259.378 3.608 30 20 CHED CC(C)(CNc1cnccc1C#N)c1cccc(Cl)c1 570185457 VYEGMRVCEXOHGQ-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](C)c2ccccc21 815048340 VGOMGAUWHFJULO-NSHDSACASA-N 265.303 3.738 30 20 CHED CC(C)(CC(=O)OCc1ccc(CC#N)cc1)C1CC1 815469281 FLSMEPBBCKDCSX-UHFFFAOYSA-N 271.360 3.622 30 20 CHED C#Cc1ccccc1CC(=O)N(c1ccc(C)cc1)C(C)C 812959232 XOIZODGHTDPRKE-UHFFFAOYSA-N 291.394 3.960 30 20 CHED C#Cc1cccc(NC(=S)N2CCc3c(C)cccc32)c1 726485902 XHFUPKHTDXKGNH-UHFFFAOYSA-N 292.407 3.736 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCOc2ccc(F)cc2C1 489233639 HLRHBYBKKIATBL-ZDUSSCGKSA-N 296.345 3.653 30 20 CHED Br/C(C=NNC1CCCC1)=C\c1ccccc1 727652437 IUDAWNRSILLQAX-BQVBJWNASA-N 293.208 3.940 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(C2CCCC2)cc1 497440437 KSQGAKGGXCBDOA-UHFFFAOYSA-N 284.403 3.966 30 20 CHED C=CCCN[C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]12 658115308 UNORCKRFVXTOBE-IPMKNSEASA-N 284.447 3.595 30 20 CHED C=CCC(C)(C)CNC1CCN(C(=O)CC(C)(C)C)CC1 575895795 ISJOVXRYWPITMR-UHFFFAOYSA-N 294.483 3.606 30 20 CHED C=CCC1(NCC(=O)Nc2ccc(C)cc2C)CCCC1 661847984 HQONZOQJBUONIC-UHFFFAOYSA-N 286.419 3.720 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H]1CF 578066537 XDFLFUBZZPOWJI-LLVKDONJSA-N 289.741 3.698 30 20 CHED C=C(C)COc1cccc(NC(=O)NC[C@H]2CC2(C)C)c1 490237825 CNMPOBLDGQNXHX-CYBMUJFWSA-N 288.391 3.809 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](CC)c2ccncc2)C1 664208708 NRIYFAWUSSUXMJ-ZBFHGGJFSA-N 287.407 3.530 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(OC)cc1 495157706 OZSWPAYBPQEBJE-UKRRQHHQSA-N 288.391 3.506 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(CN(C)C)cc1C 822344476 ZSXXYWNEWKDSHY-CQSZACIVSA-N 274.408 3.597 30 20 CHED CCOc1ccc(C=Nc2ccc(F)c(C)c2)c(O)c1 728437347 ATPHIUMMCDOSRP-UHFFFAOYSA-N 273.307 3.989 30 20 CHED C#Cc1cccc(N(C)C(=S)N[C@H]2CCCC[C@H]2C)c1 728447853 CCEDTGRBNMBETN-CJNGLKHVSA-N 286.444 3.557 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1nc(C(F)(F)F)cs1 820725355 HCGOBKGKNTUWIR-UHFFFAOYSA-N 293.310 3.807 30 20 CHED C=CCC[C@@H](NC(=O)CC1(COC)CC1)c1ccccc1 583145441 FNWWOXOIXPBVJS-MRXNPFEDSA-N 287.403 3.627 30 20 CHED Cc1c(NN=Cc2cc(F)ccc2F)cccc1[N+](=O)[O-] 727973400 KHFVUGALGKLAMS-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1C 581099000 AVTJOOYAOMWWEN-UHFFFAOYSA-N 298.434 3.596 30 20 CHED C/C(=C(/F)C(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 900123936 HRZGJZINFJXAMR-ATVHPVEESA-N 298.361 3.703 30 20 CHED CCc1nn(C)c(Cl)c1C=NNc1cc(C)ccc1C 734746404 YBZZYLHZASOXAB-UHFFFAOYSA-N 290.798 3.699 30 20 CHED CCC(CC)c1cc(CNC(=O)CCCCCC#N)on1 588546542 DCLCUGTZTJEULF-UHFFFAOYSA-N 291.395 3.668 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(C)c1C 731217220 AYIQKAHKGVOWEC-SFHVURJKSA-N 290.366 3.503 30 20 CHED C=CCCSCC(=O)NCCc1ccc(C(C)C)cc1 583453751 FKJQHFMBQIMIPX-UHFFFAOYSA-N 291.460 3.778 30 20 CHED COc1ccc(C)cc1[C@H](C)NC(=O)CCCCCC#N 588147408 DKEZKRFOIFQMBP-AWEZNQCLSA-N 288.391 3.655 30 20 CHED CCC(=NN=c1cc[nH]c2ccccc12)c1cccs1 730148583 XWNSLBQSHOKEED-UHFFFAOYSA-N 281.384 3.944 30 20 CHED C[C@H]1CC=C(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 836781853 REXMPOUMVIRRKS-QWHCGFSZSA-N 284.359 3.662 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cncc(F)c1 737415984 JPYGRESGJHDYNJ-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C#CCC[C@H](C)OC(=O)c1csc(-c2cccs2)n1 839033450 DMRBRTMRRRATKZ-JTQLQIEISA-N 291.397 3.830 30 20 CHED CSc1ccc(C=NNc2cnnc3ccccc23)cc1 733749888 DPCIZGNYEPLCFV-UHFFFAOYSA-N 294.383 3.798 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1cc(C)n(C(C)C)n1 835336925 MRDGJDSUWWYQCL-HNNXBMFYSA-N 264.369 3.532 30 20 CHED COc1ccc2cc(/C=C/C(=O)O[C@H](C)CC#N)ccc2c1 733711230 YGMUXIGPHIUHAG-FLUIGGAXSA-N 295.338 3.707 30 20 CHED C#Cc1ccc(C(=O)O[C@H](C)c2c(C)cc(C)cc2C)cn1 733486045 JZKFZODKOMKUKZ-OAHLLOKOSA-N 293.366 3.906 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(CC)o2)c1 834903373 OVNWKMQRUJZSTJ-CYBMUJFWSA-N 253.345 3.674 30 20 CHED CCc1ccc(COC(=O)c2ccccc2CC#N)cc1 735339381 JGEZKCOVORVQDT-UHFFFAOYSA-N 279.339 3.672 30 20 CHED CC(C)(C)CC(=NNc1cccnn1)c1ccc(F)cc1 735973910 WPFNCHNPWQCQBR-UHFFFAOYSA-N 286.354 3.868 30 20 CHED CC(CC1CC1)=NNc1cc(C(F)(F)F)ccn1 834984203 RVIOUUYWOCQZCZ-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CC[C@@H](C)[C@@H]1C 584563155 LBHWYXPUQDTTLH-KGLIPLIRSA-N 288.439 3.747 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 595460648 FMLHLAKIVHXBSZ-HOCLYGCPSA-N 297.402 3.617 30 20 CHED N#CCCCCOC(=O)/C=C\Sc1ccccc1 914618965 IOMCPYQQDCYFTB-XFXZXTDPSA-N 261.346 3.529 30 20 CHED N#Cc1ccccc1SCc1ccc(C(=O)O)c(F)c1 833076265 AGNPACQUCJJAKD-UHFFFAOYSA-N 287.315 3.688 30 20 CHED Fc1cccc(CON=C2CCOc3ccccc32)c1F 915214496 AOZBGUBMWYXNTF-UHFFFAOYSA-N 289.281 3.668 30 20 CHED CCC(CC)[C@@H](NC(=O)[C@@H](C#N)CC)c1cccs1 593417537 VIYCSRAWBMZLOZ-TZMCWYRMSA-N 278.421 3.891 30 20 CHED CC(C)(CNc1ncc2c(c1C#N)CCC2)CC(F)(F)F 596581142 FSFLYUURFOUKMS-UHFFFAOYSA-N 297.324 3.832 30 20 CHED C#CC1CCN(C(=O)[C@H](CCCCC)C(C)C)CC1 843706143 KXXOQUQEDCPXEM-MRXNPFEDSA-N 263.425 3.711 30 20 CHED CCn1nccc1-c1ccc([C@@H](C#N)C(C)C)cc1 592985311 DPMFJTCPTFFEKA-HNNXBMFYSA-N 253.349 3.833 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)[C@H](C)c2ccccc2)c1 746806950 JYWZBCIEJGRUKA-GJZGRUSLSA-N 292.382 3.982 30 20 CHED CCC[C@@H](NC(=O)C#Cc1ccccc1)c1ccccc1 747352891 LVYGQISTBOOREV-GOSISDBHSA-N 277.367 3.696 30 20 CHED C=CCOc1cccc(NC(=O)/C=C\c2cccs2)c1 919873062 HFMMDEKVYPDPFR-HJWRWDBZSA-N 285.368 3.965 30 20 CHED CC(C)(NC(=O)c1ccc(C#N)cc1)C1CCCCC1 1326048574 VCXUSEIEYBWODH-UHFFFAOYSA-N 270.376 3.647 30 20 CHED Cc1cc(CNCCC[C@H]2CC2(Cl)Cl)ccc1C#N 846104656 JTWAPOJWPFIOLX-AWEZNQCLSA-N 297.229 3.930 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)CC1(C#N)CCCCC1 596734834 BCCGJSBNNSIVQJ-LSDHHAIUSA-N 276.424 3.888 30 20 CHED C=CCCC(=O)O[C@H](C)c1nc(-c2ccccc2C)no1 746072399 PGFOUJYKTGPSIC-GFCCVEGCSA-N 286.331 3.615 30 20 CHED CC(C)(C)[C@@H]1CN(c2cc(C#N)cnn2)c2ccccc21 596213316 ZVIYEBAMUWEXDL-CQSZACIVSA-N 278.359 3.630 30 20 CHED C[C@H]1CC(=NNc2ccccn2)c2ccsc2S1 743426672 UDPVNETTYKMAKG-VIFPVBQESA-N 275.402 3.844 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC1(C)C 672591438 OGQRNDCHXHYFRE-MRXNPFEDSA-N 286.419 3.615 30 20 CHED N#CC1(CC(=O)Nc2cccc3cc[nH]c23)CCCCC1 597529336 KZROSJIYXYIEFN-UHFFFAOYSA-N 281.359 3.971 30 20 CHED COc1cccc(/C=N/[C@@H](C)c2c(F)cccc2F)c1O 917557868 DJAYMDRPQKEDJU-XPAGJJBOSA-N 291.297 3.859 30 20 CHED C[C@H]1C[C@H]1C=NOCc1ccc(C(F)(F)F)cc1 746577155 OOBGRLYVNGIEHG-ONGXEEELSA-N 257.255 3.864 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)c(Cl)c1C 597906033 SHPXEVVASBBHQV-ZDUSSCGKSA-N 290.794 3.723 30 20 CHED CCCCOc1ccc(NC(=O)[C@@H](C#N)CC)c(C)c1 593416874 CHGFASKETUOXRT-CYBMUJFWSA-N 274.364 3.662 30 20 CHED CC(C)CC(=NNc1cccnn1)c1ccc(Cl)cc1 740763008 SXNHYFNIVZNLRC-UHFFFAOYSA-N 288.782 3.992 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@@H](C3CCCCC3)C2)c1 596467562 SOAFWOGPVBHYSZ-MRXNPFEDSA-N 297.402 3.992 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)c1ccncc1 742076598 OKOHYZDCTUKSPE-GUYCJALGSA-N 298.361 3.758 30 20 CHED N#Cc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)s1 592989045 PMJIKPUCDBRKSS-UHFFFAOYSA-N 294.379 3.859 30 20 CHED C[C@@H](C#N)N(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1 598122808 GHCCZXWZHXEZON-QMMMGPOBSA-N 283.158 3.510 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(C(F)F)cc1F 593995213 QGYXZJKNRKBMMK-HNNXBMFYSA-N 298.308 3.821 30 20 CHED N#C[C@@H](C(=O)C=C(C1CC1)C1CC1)c1nc(C2CC2)cs1 842943392 WAIDDKFVFMLUQI-AWEZNQCLSA-N 298.411 3.943 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 593407335 RMDXTAMZYYQQKO-GDBMZVCRSA-N 299.418 3.549 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccccc2Cl)o1 745612479 YKUUYCMDGVWVIA-UHFFFAOYSA-N 288.738 3.769 30 20 CHED C=CCCCCC[C@@H](C)NCC(C)(C)C1(O)CCOCC1 841764349 WXCAEDCEPZFHKG-MRXNPFEDSA-N 297.483 3.669 30 20 CHED O=C1/C(=C/c2coc3ccccc23)Oc2cc(O)ccc21 746521154 WASSLJJACKWRAP-APSNUPSMSA-N 278.263 3.755 30 20 CHED C[C@@H](NN=Cc1ccc(O)c(Cl)c1)c1ccccc1 921259601 GGZCRUGJAOEKIY-LLVKDONJSA-N 274.751 3.730 30 20 CHED C#CCCCNC(=O)N(C)Cc1ccc(Cl)cc1Cl 743690329 XJFUAXFGKDEPDB-UHFFFAOYSA-N 299.201 3.548 30 20 CHED Cc1ccc(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 840310779 UHKAXUUCRRHNLN-ZWKOTPCHSA-N 290.366 3.633 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 842180088 JGRAGMMZBJLDNN-HUUCEWRRSA-N 278.440 3.646 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Cl)c2ncccc12 681766948 CGKXOIKNZWTRRJ-UHFFFAOYSA-N 275.739 3.586 30 20 CHED C/C(=C/C(=O)N(CCC#N)Cc1ccco1)C(C)(C)C 742605110 XZTNQJLLVUNBPJ-QBFSEMIESA-N 274.364 3.514 30 20 CHED COc1ccc(C(CC(C)C)=NOC2CCOCC2)cc1 842529966 MTZWVIOXRXENGU-UHFFFAOYSA-N 291.391 3.641 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(N3CCCC3)nc2)c1 758371541 LHLJFVXTUXIAHR-UHFFFAOYSA-N 294.402 3.745 30 20 CHED C=C[C@H](OC(=O)c1cc(C(C)C)nn1C)c1ccccc1 851451033 BDJLUCVGGRQHDA-INIZCTEOSA-N 284.359 3.628 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1cn(C)nc1C 754710777 XRRWHUMCJONQNJ-UHFFFAOYSA-N 297.280 3.550 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2cc(C)on2)cc1 752877641 NTJUKHGCCLZASS-FLIBITNWSA-N 284.359 3.725 30 20 CHED Cc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)c(O)c1 756731157 FHVKKEIKXOFPGR-GFCCVEGCSA-N 284.334 3.562 30 20 CHED Fc1cccc(C=NOCc2ccc(F)cc2F)c1 753974809 SPZFNYLRHRNPKJ-UHFFFAOYSA-N 265.234 3.655 30 20 CHED CCN1CC[C@@H](N(C)CCCCC2(C#N)CCC2)C[C@@H]1C 929779750 IJTQFSTXHDRZSE-DLBZAZTESA-N 291.483 3.655 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1csc2ccccc12 757920122 IWHUFIWBLCBNLU-LBPRGKRZSA-N 271.385 3.882 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)/C=C/c1ccccc1C#N 757767180 SEHMWIOCUACHRM-SIFUEBAJSA-N 282.387 3.656 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCn1ccc2ccccc21 851213280 FCEVKRAOPCONIR-CQSZACIVSA-N 298.386 3.903 30 20 CHED Cc1cc(F)c(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1F 851209079 IDQICGUKVPGNRB-JTQLQIEISA-N 281.302 3.758 30 20 CHED CC(CC1CCOCC1)=NNc1cc(F)c(F)cc1F 757585241 ZGSJPSGGRWEJPV-UHFFFAOYSA-N 286.297 3.708 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C1/CC[C@H](C)C1 753608377 KCGGMILQDRTILB-QXPQOBGOSA-N 276.424 3.911 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 754368854 RUCRACMOLSUDTR-IJLUTSLNSA-N 296.197 3.625 30 20 CHED CCC1CC(=O)C(=CNC[C@H](CC)c2ccccc2)C(=O)C1 920979905 YYNOEBOTNQJMLA-LOACHALJSA-N 299.414 3.612 30 20 CHED C[C@H]1CCCCN1N=Cc1csc(C(C)(C)C)n1 853380382 PTEMFURNZBYPAF-NSHDSACASA-N 265.426 3.649 30 20 CHED CC(C)Cc1ccc(C(=O)OCc2ccnc(C#N)c2)cc1 754727389 HKHNYZPCVFXZLC-UHFFFAOYSA-N 294.354 3.509 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@H](C#N)C1CCCCC1 934128396 BFCAJXQBICYWCX-WMLDXEAASA-N 284.403 3.687 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1ccc(CF)cc1 850973469 UQXNOCWQJOSYHS-INIZCTEOSA-N 280.339 3.542 30 20 CHED C[C@H](C#N)OC(=O)Cc1csc2ccc(Cl)cc12 751846015 HGSQSOZJGQDJLM-MRVPVSSYSA-N 279.748 3.552 30 20 CHED CCCCCC(C)(C)C(=O)N1CCC[C@](C)(C#N)C1 753155326 PDXVNZCMIBCIIV-MRXNPFEDSA-N 264.413 3.745 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2c(C)cccc2C)c1 754099895 ZPNOZNKAXSFWQW-UHFFFAOYSA-N 278.355 3.990 30 20 CHED Fc1cccc(NN=Cc2ccnn2CC2CC2)c1Cl 863158741 OHCQLZYDUPLELW-UHFFFAOYSA-N 292.745 3.532 30 20 CHED C=CCCCC(=O)N[C@H](CCc1ccccc1)C(F)F 862809839 NTQNUDZBZZTSFC-CQSZACIVSA-N 281.346 3.725 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1csc(-c2ccco2)n1 934850644 MELVMMQGTNKKGF-NSHDSACASA-N 290.388 3.622 30 20 CHED C#C[C@H](C)N(C)CCCCOc1ccccc1C(F)(F)F 769962090 BCHMJNXSLJOLMD-ZDUSSCGKSA-N 299.336 3.818 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](CC)c2ccc(F)cc2)c1 763466978 PQTQBJQFJQOVNL-SFHVURJKSA-N 295.357 3.964 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C(\C)C(C)(C)C 762608050 XSYPRHBCJHBGRM-ACCUITESSA-N 264.413 3.958 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CCc1cccc2ccccc12 865078277 UBAPHHSWGTXLTN-IBGZPJMESA-N 294.398 3.827 30 20 CHED C=CC[C@@H](N[C@H](C)c1cncs1)c1ccncc1 766017426 BTFWHIZZCMGODV-DGCLKSJQSA-N 259.378 3.506 30 20 CHED C[C@@H](C#N)OC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 766982400 KPDNDMDVXKGLLW-ILXRZTDVSA-N 281.396 3.597 30 20 CHED CCOc1ccc(/C=N/[C@@H](C)c2cnc(C)s2)c(O)c1 864347091 KCIDBUADEQYNMY-MDKXCRPYSA-N 290.388 3.736 30 20 CHED C#CCCc1noc(-c2coc(-c3ccccc3Cl)n2)n1 762025930 NQPQBACJTHSIFR-UHFFFAOYSA-N 299.717 3.611 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccco1 761481058 VJWHWPMWYXPCPG-HWKANZROSA-N 268.099 3.878 30 20 CHED C=CCCn1cc(/C=C/C(=O)c2cccc(C(C)C)c2)nn1 863195818 NCOLSNWKGUGYDA-MDZDMXLPSA-N 295.386 3.874 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](c1nc(C)cs1)C1CC1 933509925 RWRKIYZWGPKYDG-RISCZKNCSA-N 278.421 3.621 30 20 CHED Cc1cccc(-c2cccc([C@H]3CCCN3)c2)c1C#N 863689471 AVKLMRNMHBFZMU-GOSISDBHSA-N 262.356 3.958 30 20 CHED CO[C@@H](C)C(C)=NNc1nc(-c2ccccc2)cs1 763157667 UXVRLUSCDBVQSE-NSHDSACASA-N 275.377 3.633 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1C 762442359 JNXFBZDDJMJRPZ-UTCJRWHESA-N 283.352 3.833 30 20 CHED COc1ccc(/C=C2\CCc3scnc3C2=O)cc1C 863196483 KRSJWBGEVCBDRJ-XYOKQWHBSA-N 285.368 3.673 30 20 CHED CC[C@@H](C(=O)OCCCCC#N)c1ccc(F)cc1 764668069 XETCORIKZZHBMM-CQSZACIVSA-N 263.312 3.556 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)cc2C#N)cc1 52857233 KBHMODBDLPIJJI-UHFFFAOYSA-N 267.719 3.695 30 20 CHED C=CC(C)(C)CC(=O)N1CCCC[C@H]1c1cccn1C 879055955 NQVRAKKUGHMAJY-HNNXBMFYSA-N 274.408 3.681 30 20 CHED CCO[C@H](C/N=C\c1c(O)cccc1OC)c1ccccc1 772155550 RGNYHMHVPCHRGB-GEBKJHSDSA-N 299.370 3.598 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(Cl)cc2OC)CC1 776075917 VXKLPGNRPWUVLZ-UHFFFAOYSA-N 294.782 3.779 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)C1C(C)(C)C1(C)C 772958470 HAIVNBABLIFINH-ZDUSSCGKSA-N 286.419 3.749 30 20 CHED C=C(Cl)CN[C@@H](CC)c1cc(C)ccc1OC 773004253 JHDKRBPYVTWJJS-ZDUSSCGKSA-N 253.773 3.797 30 20 CHED Cc1ccc(SC2CCCC2)c(C(=O)OCC#N)c1 776449575 ZWBFRWOTCBLURV-UHFFFAOYSA-N 275.373 3.710 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C/c1ccc2ccccc2n1 776363970 ZZFMSHGJWCDRNQ-MDZDMXLPSA-N 294.354 3.731 30 20 CHED Cc1ccoc1C(=O)/C=C/c1nc2c(s1)CCCC2 776264191 FUMWQHWFFZVAOJ-VOTSOKGWSA-N 273.357 3.819 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1cccc(O)c1F 871672749 XHTFYZAQOYPUFG-FPLPWBNLSA-N 288.322 3.513 30 20 CHED C=C(CC)COC(=O)c1cc(Oc2ccccc2)ccn1 773518734 BSQXQRVBIWXHKM-UHFFFAOYSA-N 283.327 3.997 30 20 CHED Cc1ccsc1C(Cc1ccccc1)=NNC[C@H](C)C#N 771113007 REKZSSCRZYDWIC-CYBMUJFWSA-N 297.427 3.753 30 20 CHED CCCc1cccc(C=Nn2cnc3ccccc32)c1 774361626 GSEIMCDZPLPPSK-UHFFFAOYSA-N 263.344 3.871 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCSCC1 776784989 AGECPEWRJXQFHY-UHFFFAOYSA-N 271.389 3.838 30 20 CHED COc1ccc([C@H](OC)[C@@H](C)Nc2ccc(C#N)cc2)cc1 771698522 NCQKORWQKRXGTK-FZKQIMNGSA-N 296.370 3.755 30 20 CHED N#Cc1ccc(CCC(=O)O[C@H](C#N)C2CCCCC2)cc1 776369463 NTWVTALGJWZIKY-QGZVFWFLSA-N 296.370 3.507 30 20 CHED O=C(/C=C\c1cc(F)cc(Cl)c1)c1cscn1 776720980 VRXKQVQKEXQPIV-UPHRSURJSA-N 267.712 3.832 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1coc2ccccc12 779819235 QRLNFHGVHYKXIA-UHFFFAOYSA-N 276.299 3.755 30 20 CHED C#CC[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccccc1 775401348 SKHYRNWSPBGYJA-ROUUACIJSA-N 299.801 3.728 30 20 CHED C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O 881323288 FLSXHJKHVHBCQT-OAGGEKHMSA-N 293.451 3.521 30 20 CHED C[C@]1(C(=O)Nc2cc(C#N)ccc2F)C[C@@H]1c1ccccc1 1129602755 IGDOMHOUQVSXGE-KDOFPFPSSA-N 294.329 3.830 30 20 CHED Fc1cc(F)c2c(c1)C(=NNc1cc(Cl)ccn1)CC2 777906605 YIQALGTZYDTWRD-UHFFFAOYSA-N 293.704 3.776 30 20 CHED C=CCN(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)C(C)C 772523256 JGXBOPJDUQWNGZ-WDEREUQCSA-N 280.334 3.569 30 20 CHED C#CCCCCC(=O)OCc1ccc(C(F)(F)F)cc1 773623632 HNXGVNQSGMJXCV-UHFFFAOYSA-N 284.277 3.942 30 20 CHED C=CCN(C(=O)Nc1cccc(C(=O)CC)c1)C(C)C 771512524 CPOPZHVOKSOISZ-UHFFFAOYSA-N 274.364 3.708 30 20 CHED Cc1cccc(CN(C)C(=O)[C@@H](CC#N)c2ccccc2)c1 1124924020 NEQREZQTAQFQKP-SFHVURJKSA-N 292.382 3.651 30 20 CHED CCC[C@H](NCc1ccc(C#N)cn1)c1ccsc1 785567864 HJCCBRYRFPCLBO-HNNXBMFYSA-N 271.389 3.646 30 20 CHED COCC(=NNc1cc(F)cc(F)c1)C1CCCC1 780213288 POBIGUWONTUOJD-UHFFFAOYSA-N 268.307 3.569 30 20 CHED C[C@@H]1CC[C@@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)C1 780225593 LXNPUEMCEHOGFE-MWLCHTKSSA-N 293.823 3.687 30 20 CHED C(=NOC[C@H]1CCOC1)c1ccccc1-c1ccccc1 788032725 BNQDYZPSCHODHF-HNNXBMFYSA-N 281.355 3.741 30 20 CHED N#CCOc1ccc(NC[C@H]2CCc3ccccc32)cc1 1120007171 KAOLDHXYKXNWOJ-OAHLLOKOSA-N 278.355 3.731 30 20 CHED CC(C)(C#N)CC(=O)O[C@H](c1ccccc1)c1ccncc1 786362284 LOMLIANJJXQFMQ-QGZVFWFLSA-N 294.354 3.654 30 20 CHED CON=Cc1ccc(C(=O)Oc2cccc(C)c2C)cc1 891733457 ADVAOUJSWSWKSX-UHFFFAOYSA-N 283.327 3.503 30 20 CHED C=C1CC(c2noc([C@@H]3CCO[C@@H](CCC)C3)n2)C1 896883918 MQGKKOZUEJRXBB-YPMHNXCESA-N 262.353 3.566 30 20 CHED CC1(C(=O)Oc2ccc(C#N)cc2F)CCCCC1 782536224 XJUKIYSSWPSGDU-UHFFFAOYSA-N 261.296 3.573 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)/C=C\c1ccco1 780034238 CZTBMUXUHBIKSJ-WAYWQWQTSA-N 287.702 3.561 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1ccncc1 782303354 WZLQVGANUWSDLT-RQOWECAXSA-N 260.296 3.526 30 20 CHED Cc1cc(Cl)ccc1CS(=O)(=O)CCC(C)(C)C#N 790150031 TVKXCNOAIWHCOS-UHFFFAOYSA-N 299.823 3.503 30 20 CHED C[C@@H]1CCC(=NNc2cccc(Cl)n2)C[C@H]1C 793176178 ZMPYWYDUKCTQKB-NXEZZACHSA-N 251.761 3.959 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1cnoc1C 799482443 SYZKEONTSOJQQH-UHFFFAOYSA-N 267.691 3.612 30 20 CHED CCOc1ccc(C(C)=NOCCSC)cc1OCC 794571819 HDBVPFFIUQGOEE-UHFFFAOYSA-N 297.420 3.588 30 20 CHED COc1ccccc1CON=C1CCC[C@@H]1c1ccccn1 794938000 MTXXALJQBKDQPM-OAHLLOKOSA-N 296.370 3.931 30 20 CHED N#Cc1ccc(N[C@H]2CC23CCC3)cc1Br 721234286 KMWWFEYBQVVJCJ-LBPRGKRZSA-N 277.165 3.675 30 20 CHED CCOc1ccc(/C=N\CCCC(F)(F)F)c(O)c1 799743099 VSLBMKZNMWZCIW-MFOYZWKCSA-N 275.270 3.552 30 20 CHED C=CCN(C(=O)CCSCc1ccccc1)C(C)C 791507234 DKCNJTRUSOKKAD-UHFFFAOYSA-N 277.433 3.733 30 20 CHED Fc1ccc2[nH]cc(C=NNc3cccc(Cl)n3)c2c1 793176061 XOFGOIPYRXLZQT-UHFFFAOYSA-N 288.713 3.801 30 20 CHED O=C(O)c1cc(NN=C2CCC[C@@H]2CCF)ccc1Cl 794854576 IHYJQZOPMAVYSL-SECBINFHSA-N 298.745 3.966 30 20 CHED C=C(C)CN(C)Cc1csc(-c2ccccc2)n1 677565270 ZQWSGJUTFFZJKD-UHFFFAOYSA-N 258.390 3.818 30 20 CHED CCCCCCCN1CCC[C@@H]1CN1CCCC1 740876903 NJIZDQJGAUGIJI-MRXNPFEDSA-N 252.446 3.517 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2(C)CCCCC2)c1 1219113748 XLVWQMASEAGCPU-UHFFFAOYSA-N 271.364 3.711 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCC(F)(F)C1 695739392 UAJHEPBFBXJHCN-VIFPVBQESA-N 298.720 3.976 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)CCCCC1 1303784596 HDOIFKBXNROILQ-APIJFGDWSA-N 261.409 3.674 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1sccc1C#N 1310956703 NMYMRHUJMLRLFA-VXGBXAGGSA-N 291.420 3.958 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCCCC#N 1325340445 QCTBBYLEXFLAMW-QWHCGFSZSA-N 258.365 3.532 30 20 CHED CC#CCCOC(=O)c1[nH]c2ccc(C)cc2c1Cl 1320538449 LSTAHCQWUIPCHP-UHFFFAOYSA-N 275.735 3.700 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(C#N)cc1 1622711729 CBVWZVJUUFCPKD-LRDDRELGSA-N 271.364 3.649 30 20 CHED CCC1(CC)CCCN(c2ncc(C#N)cc2F)CC1 1186121979 XAJUKJWKOSJXLB-UHFFFAOYSA-N 275.371 3.889 30 20 CHED Cc1ccccc1[C@H]1CCCN1c1cccc(CC#N)n1 1325709962 JUUAWIBXMDAIMD-QGZVFWFLSA-N 277.371 3.798 30 20 CHED Cc1c(C#N)cccc1C(=O)OCC(=O)CCC1CCCC1 1321424364 WVOWSLINIVANLZ-UHFFFAOYSA-N 299.370 3.563 30 20 CHED Cc1cccc(C)c1CN1CCc2c(C#N)cccc21 1646300217 UBWATUJOMAPYTQ-UHFFFAOYSA-N 262.356 3.738 30 20 CHED CC[C@H](/N=C/c1cccc(O)c1O)c1ccc(F)cc1 1323700133 BKHWURWEHKBQHL-XKYMITNMSA-N 273.307 3.807 30 20 CHED Cc1nc2ccccc2c(C(=O)OCCCCC#N)c1C 1256070537 ILDVAMKNCJVIJK-UHFFFAOYSA-N 282.343 3.702 30 20 CHED C=C(C)CCC(=O)Nc1ccc(F)cc1OCC 1337011774 NFQBKKPNXPQNBZ-UHFFFAOYSA-N 251.301 3.519 30 20 CHED CSc1ccc(/C=C\C(=O)O[C@@H]2CC[C@H](C#N)C2)s1 1263386357 QRMYOISUJIISGC-LQKZOZGNSA-N 293.413 3.719 30 20 CHED CCCCCCCC(=O)N1c2ccncc2C[C@@H]1C 1347241935 MSEGBJHTWLFMIL-ZDUSSCGKSA-N 260.381 3.720 30 20 CHED C=C(CC)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 1346070952 CIJGDRYJVMXTPX-UHFFFAOYSA-N 275.682 3.846 30 20 CHED N#Cc1cccc(C2(C(=O)Oc3ccccc3Cl)CC2)c1 1340767345 YYWDNUZHPPHUOW-UHFFFAOYSA-N 297.741 3.849 30 20 CHED CCN(CCC#N)C(=O)CCSc1ccccc1Cl 103208480 RNEQYHWKFPBQMA-UHFFFAOYSA-N 296.823 3.584 30 20 CHED CCc1ccc(C(=O)Nc2cccc(C#N)c2)cc1CC 1350647098 DDCRXGGDWKTKRF-UHFFFAOYSA-N 278.355 3.935 30 20 CHED Cc1c(C#N)c(SCCC2CC2)nc2c1CCC2 1458864107 PRIRUCPFMONFKS-UHFFFAOYSA-N 258.390 3.643 30 20 CHED Cc1ccc(F)cc1[C@@H](C)OC(=O)CC(C)(C)C#N 1520781065 YDCREAMCTALIEP-LLVKDONJSA-N 263.312 3.678 30 20 CHED Cc1csc(C(=O)Nc2ccccc2O[C@H](C)C#N)c1 1526686815 ULWPGLGNERNFOG-LLVKDONJSA-N 286.356 3.600 30 20 CHED N#Cc1nc(NCC23CCC(CC2)C3)sc1Cl 1458288230 UPJSCHHSZQNQHJ-UHFFFAOYSA-N 267.785 3.660 30 20 CHED N#C[C@@H](Sc1ccc(C(=O)O)cc1)C1CCCC1 1601050278 XBDBPASKHRERGL-CYBMUJFWSA-N 261.346 3.559 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(C(=O)O)sc1C 1602860904 URYUEDJYCNWWLE-SECBINFHSA-N 296.392 3.621 30 20 CHED CC[C@@H](C)C[C@@H](CC)NCc1ccc(OC)c(C#N)c1 1474684684 ODIYVCMYHANMHT-CZUORRHYSA-N 274.408 3.871 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCC12CCC(CC1)C2 1472746491 VELCCOVPZJDMOR-UHFFFAOYSA-N 295.308 3.964 30 20 CHED O=C(O)c1ccc(C=NOCc2ccc(Cl)cc2)cc1 1610824055 DCFWIVDLKCHHCU-UHFFFAOYSA-N 289.718 3.589 30 20 CHED CCc1nnc(N[C@H]2C[C@@H]2C2CCCCC2)c(C#N)c1CC 1472711998 VAIKWMDAFYGSOE-PBHICJAKSA-N 298.434 3.854 30 20 CHED Cc1ccc(F)c(CN[C@@H](C)c2ccc(C#N)cc2)c1 227282912 RURULIWLRKZYPS-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED CC(C)(NC(=O)Nc1sccc1C#N)c1ccccc1 1563023618 JTLSZXRXBOQOMI-UHFFFAOYSA-N 285.372 3.677 30 20 CHED N#Cc1ccccc1OCCN(CC1CC1)c1ccccc1 1644851873 UONCKHGNQJHXJL-UHFFFAOYSA-N 292.382 3.854 30 20 CHED Cc1cc(CN(C)C2CC(OC(C)(C)C)C2)ccc1C#N 1652687545 AHLZFQOQDKSHKO-UHFFFAOYSA-N 286.419 3.645 30 20 CHED Cc1ccc(Cl)c2c1N(CC1(C#N)CC1)CCC2 1658905553 MLOVTBKERLWYGG-UHFFFAOYSA-N 260.768 3.705 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C1(C(=O)O)CC=CC1 1589645133 QIDYGZNKGSCVRN-AWEZNQCLSA-N 295.423 3.520 30 20 CHED C#CCC1(C(=O)Nc2cccc(C(=O)O)c2C)CCCCC1 1588428671 XGDRREMOIPPWRN-UHFFFAOYSA-N 299.370 3.606 30 20 CHED C[C@H](CC=NNCc1ccc(-c2ccccc2)cc1)C(=O)O 1592470768 LPRNDQBLKNXWKF-CQSZACIVSA-N 296.370 3.540 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)Nc1ccc(C#N)cc1 1672412031 HHKOMCLDNQTMIO-INIZCTEOSA-N 285.391 3.991 30 20 CHED C[C@@]12C[C@H]1CCCC2=NNc1ccc(F)c(C(=O)O)c1 1776062772 JLZGNPPNVATZQF-RFAUZJTJSA-N 276.311 3.502 30 20 CHED CC(=NOCC(C)C)c1sc2ccccc2c1C(=O)O 1776112298 YMHFVDZZUGBMED-UHFFFAOYSA-N 291.372 3.996 30 20 CHED CC[C@@H](NN=C1CCC[C@H](c2ccccc2)CC1)C(=O)O 1776066267 BMIFCUOBNGLKDO-GOEBONIOSA-N 288.391 3.543 30 20 CHED N#Cc1ccc(OCc2cccc(F)c2F)c(F)c1 134317377 WXURHCIXFLNNDM-UHFFFAOYSA-N 263.218 3.555 30 20 CHED N#Cc1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1 15575471 YPAXVZTYCOTSIF-VAWYXSNFSA-N 299.333 3.758 30 20 CHED CSc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)nc1 150887243 GFMSCVGLDMEAKT-GFCCVEGCSA-N 299.399 3.706 30 20 CHED C[C@@H]1CCCCN1Cc1cccc(OCCCC#N)c1 158929601 VEMLSBHYGDOZEK-OAHLLOKOSA-N 272.392 3.744 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)s1 205687768 CSWCPPOGOCRWNE-UITAMQMPSA-N 286.352 3.905 30 20 CHED C=CCC[C@@H](NCc1cc(C)on1)c1ccccc1 159931964 BCYFMWGHJONIPF-MRXNPFEDSA-N 256.349 3.780 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc(C(F)(F)F)cc1 209183481 VAJWFUHRQPZIMD-BAQGIRSFSA-N 277.245 3.997 30 20 CHED C[C@H]1CCCN(c2c(Br)cccc2C#N)C1 1163173752 UKEDWTXQSSUPFY-JTQLQIEISA-N 279.181 3.557 30 20 CHED C#Cc1ccc(NC(=O)[C@H](CC)CC(F)(F)F)cc1 891313524 QQXHVWHNWWFXDO-LLVKDONJSA-N 269.266 3.585 30 20 CHED Cc1csc(C(=O)Nc2ccc(F)c(C#N)c2)c1Cl 235966489 IYJIANJVWFLZOD-UHFFFAOYSA-N 294.738 3.973 30 20 CHED Cc1cc(C(C)(C)C)cc(C)c1Cn1cc(C#N)cn1 1189183786 XANIXJKLKJKHIL-UHFFFAOYSA-N 267.376 3.717 30 20 CHED C#CCCCCNC(=O)[C@H](c1ccccc1)[C@H](C)CC 156165396 SNWQKVADCFNJMH-WBVHZDCISA-N 271.404 3.736 30 20 CHED C[C@H](C#N)OCCNc1ccc(-c2ccccc2)cc1 312250512 CHSBUZYIIFJRKU-CQSZACIVSA-N 266.344 3.694 30 20 CHED C[C@@H]1CC(Nc2ncc(C#N)cc2Cl)C[C@@H](C)C1 352241324 KDSOOVMVSMMGCX-UWVGGRQHSA-N 263.772 3.843 30 20 CHED C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 78835181 SYACIMXZENLADI-JTQLQIEISA-N 283.297 3.598 30 20 CHED C[C@H](CCNc1cccc(C#N)n1)c1ccccc1 80118917 HIPVRPHAIHLXKU-CYBMUJFWSA-N 251.333 3.559 30 20 CHED C=C(CC)CS[C@H](C)C(=O)N(C)Cc1ccccc1 358635923 OIXRLFNILNURLO-CQSZACIVSA-N 277.433 3.733 30 20 CHED CS[C@@H]1CCCCN(c2ccc(C#N)cc2C)C1 707277596 CCPWSUGLGUIIBW-CQSZACIVSA-N 260.406 3.589 30 20 CHED N#Cc1c(Br)cccc1N1[C@H]2CCC[C@H]1CC2 380791734 LJOAQCAYZTZXEN-QWRGUYRKSA-N 291.192 3.842 30 20 CHED C=CCC(C)(C)CNCc1cc(F)c(F)cc1F 380999990 HUCFNPDMYGMKOS-UHFFFAOYSA-N 257.299 3.796 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCC(OCC)OCC 692239076 IXCWYLSAMOLUCV-LSDHHAIUSA-N 269.429 3.500 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc2c(c1)OCCCO2 395358992 ARDVPGGJBFSCRT-CYBMUJFWSA-N 275.392 3.711 30 20 CHED C[C@H](CC(=O)N1CCC[C@H](CC#N)C1)CC(C)(C)C 397571185 CMRRASDWDCXWFZ-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED N#Cc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 7265386 ALKTYIXAOQMZGX-UHFFFAOYSA-N 296.757 3.882 30 20 CHED CC(C)(C)CCCCNC(=O)CCc1ccc(C#N)cc1 104440395 NAORTYDBKHCPMD-UHFFFAOYSA-N 286.419 3.823 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(C)c(Cl)c2)n1 103329121 WDMPEIRVQJTRGG-NSHDSACASA-N 290.775 3.903 30 20 CHED Cc1nc(CSCc2cccc(C#N)c2)cs1 105637120 SRHLQHRDLUTBAR-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C[C@@H]1CCN(C(=O)c2sccc2C#N)[C@H]2CCCC[C@@H]21 52030725 DYLCOXNSRJPYCP-BNOWGMLFSA-N 288.416 3.661 30 20 CHED C=CCCCC(=O)NC[C@@H](Nc1ccccc1)C(C)C 175190063 PZLNFPBEZQVLBZ-MRXNPFEDSA-N 274.408 3.596 30 20 CHED N#Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)c1 110571120 RULGQICADCNXKL-MSOLQXFVSA-N 290.366 3.624 30 20 CHED N#Cc1ccccc1-c1ccc(CN2CCSCC2)cc1 103467871 LBWBSNMOTKMTEP-UHFFFAOYSA-N 294.423 3.774 30 20 CHED Cc1ccccc1CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 106420132 CQHDTZPNDJDTSJ-MRXNPFEDSA-N 298.773 3.572 30 20 CHED C[C@@H](C(=O)Nc1ccc(F)cc1C#N)c1ccccc1F 177573254 JWLBJTDQCZGLLT-SNVBAGLBSA-N 286.281 3.579 30 20 CHED CC(C)[C@H](C)C(=O)Nc1cccc(OCCCC#N)c1 171926472 GMLLRJXAVIXQHU-ZDUSSCGKSA-N 274.364 3.600 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(OCC)c(OCC)c1 177912382 HKUCLXVAUCVUOH-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED C=CCCCC(=O)Nc1cc(Br)ccc1F 177747534 ORHBEXNQRXSIKW-UHFFFAOYSA-N 286.144 3.883 30 20 CHED C=CCNC(=O)NCCC(c1ccccc1)c1ccccc1 24566302 OWEUEFVKHBFTEF-UHFFFAOYSA-N 294.398 3.694 30 20 CHED Cc1ccc(N/C(N)=N/CC2(C3CC3)CCC2)cc1C 305208306 NUOQAUPKLXEZGS-UHFFFAOYSA-N 271.408 3.610 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H](C)c1c(C)noc1C 179189007 TVNYNCONXBRMCH-NSHDSACASA-N 297.358 3.604 30 20 CHED Cc1cc(C#N)cc(NCc2cnc(C(C)(C)C)nc2)c1 308152265 KEZQPOYBHWCJCU-UHFFFAOYSA-N 280.375 3.566 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1ccc(C(C)C)cc1 116853806 PLIFYTWBXXOLOQ-CQSZACIVSA-N 259.393 3.823 30 20 CHED CC(C)[C@H](C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 113178744 VPNSPYBJMNBSJP-BXUZGUMPSA-N 278.783 3.703 30 20 CHED CCC1(C(=O)Nc2cccc(C#N)c2C)CCCC1 178627129 OEPZXAYTULLDRN-UHFFFAOYSA-N 256.349 3.776 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 1263856262 KUASUCSDVUGWKF-JTQLQIEISA-N 287.281 3.729 30 20 CHED C#CCCCCC(=O)Oc1cccc(C(F)(F)F)c1 119514643 IEVLKNSFWSKPLX-UHFFFAOYSA-N 270.250 3.804 30 20 CHED N#C[C@H](NC(=O)CC1=CCCCC1)c1ccc(Cl)cc1 113176868 LXXJBPRMLZWMSZ-HNNXBMFYSA-N 288.778 3.911 30 20 CHED C=C[C@H](CC(=O)N(C)CCC1CC1)c1ccccc1 179453659 VRPDSDFASGYZBK-OAHLLOKOSA-N 257.377 3.605 30 20 CHED Cc1cccnc1NC(=O)N[C@H](CCC#N)c1ccccc1 178641173 OYRRGCSGGOZMPB-OAHLLOKOSA-N 294.358 3.557 30 20 CHED C[C@@H](SCCOCC1CC1)c1ccc(C#N)cc1 173829303 PBZCVWRZPODAFN-GFCCVEGCSA-N 261.390 3.779 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2ccc(F)cc2)c(F)c1 302864203 SRYDPDLSUOYBSP-XJKSGUPXSA-N 270.282 3.804 30 20 CHED C[C@H](CNc1cccc(C#N)n1)c1nc2ccccc2s1 301804131 AZQACTNITTXJNG-LLVKDONJSA-N 294.383 3.779 30 20 CHED C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc23)C[C@@H]1C 301440715 MDNFAOYTAXKAMR-QWRGUYRKSA-N 285.778 3.852 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)s1 129532187 LTQRCLAXWLPHPR-GQCTYLIASA-N 289.312 3.566 30 20 CHED C#CCCCCC(=O)Nc1cc(C)ccc1-n1cc(C)cn1 120306411 GWZWEGUNRIXBNG-UHFFFAOYSA-N 295.386 3.621 30 20 CHED C=CCCSc1nnc(COc2cccc(C)c2)o1 128490729 JYHXKWAXJJNKFY-UHFFFAOYSA-N 276.361 3.625 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Cc1cncc2ccccc12 500074452 ITOZIBZEOSINRF-OAHLLOKOSA-N 294.398 3.614 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1ccsc1 182251792 ZWKLKNGRWOKYJG-VOTSOKGWSA-N 274.341 3.661 30 20 CHED C=C(C)[C@@H](NCc1cc(C)on1)c1ccc(F)c(F)c1 187756388 YGKGHCQKVYHZPY-OAHLLOKOSA-N 278.302 3.668 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccco1 122805605 GSFNAYRUWBKKMR-UHFFFAOYSA-N 254.333 3.562 30 20 CHED C/C=C\c1ccc(NC(=O)NCC2(C#N)CCC2)cc1 417126957 ZYUSTWZVPPWJPP-RQOWECAXSA-N 269.348 3.535 30 20 CHED Cc1cc(NC(=O)Nc2cccc(C#N)c2)ccc1N(C)C 79843908 ZQHYAZBNVRNRSE-UHFFFAOYSA-N 294.358 3.577 30 20 CHED C=CCCCNC(=O)N(C)[C@@H](CC)c1ccccc1OC 503400216 XIYVVLWDHBPWEJ-HNNXBMFYSA-N 290.407 3.754 30 20 CHED C=CCC1(C(=O)Nc2ccc(N3CCCCC3)cn2)CCC1 189924672 ZENLBAYSGHNLCM-UHFFFAOYSA-N 299.418 3.757 30 20 CHED Cn1ncc(Cl)c1/C=C/C(=O)c1cc2ccccc2o1 122612580 XBXLUSAXPCOVBD-VOTSOKGWSA-N 286.718 3.716 30 20 CHED N#Cc1nnc2ccccc2c1Sc1ccccc1F 77165388 QEGHZEBDGFYIOS-UHFFFAOYSA-N 281.315 3.792 30 20 CHED CCOc1cccc(NCc2ccc(C#N)c(C)c2)c1 443979319 AIBXPZBUKHQZND-UHFFFAOYSA-N 266.344 3.878 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1ccccc1O[C@@H](C)C#N 182037031 MAVPNMQIPBQNJZ-ZDUSSCGKSA-N 288.391 3.988 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@](C)(C#N)C(C)(C)C 410668367 ALNQCFFFXNLROL-IUODEOHRSA-N 252.402 3.503 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1nc2ccccc2s1 500102771 GLRZKWWYVRNLEX-SNVBAGLBSA-N 275.377 3.773 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H](C)c1ccccn1 180203053 WYLSHTNYTYIOMB-CHWSQXEVSA-N 267.332 3.546 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(Br)cc1 454132516 HXQVRNAZICAVGZ-UHFFFAOYSA-N 283.169 3.537 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 180647866 REVPPSSIQZJICT-AWEZNQCLSA-N 290.407 3.752 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C1CCCCCC1 411069324 RKKNFWZKHQISEB-UHFFFAOYSA-N 284.359 3.670 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cc(Cl)ccc1OC 182633963 VBBCECMHQASMIM-GFCCVEGCSA-N 295.810 3.752 30 20 CHED CCCN(CC#N)C(=O)c1ccc(-c2ccc(CC)cc2)o1 79687070 MRYQKTRUUUHCPR-UHFFFAOYSA-N 296.370 3.885 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccccc1OC(F)F 414159383 BHZHNLDMWMRYAH-LLVKDONJSA-N 282.334 3.878 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCO2)cc1C(F)(F)F 42824326 FXUBTLQKIPEQBV-LBPRGKRZSA-N 284.281 3.558 30 20 CHED C=C(C)CN1CC=C(c2ccc(OCC)cc2)CC1 509477083 DESLKMDHPVNUDC-UHFFFAOYSA-N 257.377 3.751 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C2CC2)C1 413824531 CXRCGTUBEGBSQM-ROUUACIJSA-N 298.430 3.615 30 20 CHED C=C(C)CCc1noc(-c2ccnc(O[C@H](C)CC)c2)n1 508686807 PFXJVZZLYLWYLL-GFCCVEGCSA-N 287.363 3.818 30 20 CHED N#Cc1cccnc1NCc1cc2c(s1)CCCC2 603867537 YMMLSPYXUBTJCH-UHFFFAOYSA-N 269.373 3.506 30 20 CHED N#CC1(CSCc2cccc([N+](=O)[O-])c2)CCC1 419397553 VIPQXWOAXXHOCV-UHFFFAOYSA-N 262.334 3.522 30 20 CHED CCN(CCCSCC#N)[C@H](C)c1ccc(C#N)cc1 173871934 IZECJGQZKCENKZ-CQSZACIVSA-N 287.432 3.588 30 20 CHED C[C@@H](NC(=O)N(C)C1CCCCCC1)c1ccc(C#N)cc1 47051910 UDBXGNIXTCCJFG-CQSZACIVSA-N 299.418 3.983 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1SC(F)F 86281112 MEKHLKVIECVROE-VIFPVBQESA-N 299.346 3.767 30 20 CHED O/C(=N/CC1(C2CC2)CCC1)c1cc2nc[nH]c2cc1F 329224512 ZVFBHXQJDPVKBS-UHFFFAOYSA-N 287.338 3.587 30 20 CHED CC(C)[C@@H]1CCC[C@H](N/C(O)=N/CC[C@@H]2CCOC2)CC1 329871228 APNJXEMIZHQHNQ-OAGGEKHMSA-N 296.455 3.522 30 20 CHED CC(C)CCN(CCC#N)C(=O)N(C)c1ccc(F)cc1 190621435 LIRXYUDAEBFEBA-UHFFFAOYSA-N 291.370 3.644 30 20 CHED Cc1ccc(NCc2ccc(C#N)s2)c(CN(C)C)c1 132655694 CTWWTLXFLKWTBK-UHFFFAOYSA-N 285.416 3.602 30 20 CHED N#C[C@@H](C(=O)CCc1ccccc1Cl)c1ccccn1 46705963 YCFAJVWFCVRAGP-CYBMUJFWSA-N 284.746 3.544 30 20 CHED CCCCCNC(=O)CS[C@@H](C)c1cccc(C#N)c1 190913965 TWBMJORHLPWWNB-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1ccc(C(C)C)cc1 285145615 XEXMCTNOAQNBTP-QGZVFWFLSA-N 272.392 3.708 30 20 CHED N#Cc1c[nH]c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1 191324521 KMEFBDWWRANSDS-UHFFFAOYSA-N 298.104 3.585 30 20 CHED Cc1csc([C@H](C)/N=C(/O)c2cccnc2C2CC2)n1 329659287 OAJZNLGQBLEOGZ-JTQLQIEISA-N 287.388 3.790 30 20 CHED C=CCCN1C[C@H](c2ccccc2Cl)OC[C@H]1C 133064617 KNDWASDWPTWQDW-IUODEOHRSA-N 265.784 3.678 30 20 CHED C=C(CC)CNC(=O)c1cc(Br)c(C)s1 424866225 OBHNWPIKGWZVPT-UHFFFAOYSA-N 288.210 3.515 30 20 CHED N#Cc1ccc(CN2CCN(C3CC3)c3ccccc32)cc1 425918812 MUYCYUDMLRONHT-UHFFFAOYSA-N 289.382 3.547 30 20 CHED C=CCC[C@@H](C(=O)N1CCC=C(F)C1)c1ccccc1 428014686 PTGNEGCUHYNXNZ-MRXNPFEDSA-N 273.351 3.822 30 20 CHED C=CCCC1(C(=O)NCCc2cccc3[nH]ccc23)CC1 337664758 SRBNCXVUJYNYPZ-UHFFFAOYSA-N 282.387 3.573 30 20 CHED C=CCC[C@@H](CCC)NCCc1nnc(C(C)C)s1 426338117 DCMOSLTVKHAZGC-CYBMUJFWSA-N 281.469 3.929 30 20 CHED Cc1cc([C@H](C)/N=C(/O)c2cnn(C(C)(C)C)c2)c(C)o1 330569782 OICCTLNEUHKSSA-NSHDSACASA-N 289.379 3.914 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 510593726 ASDQNOONXJDLAW-GJZGRUSLSA-N 264.413 3.585 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 429095108 RMRKQHGZXIUFBC-VIFPVBQESA-N 287.190 3.930 30 20 CHED N#CCCN(Cc1ccccn1)C[C@H]1CCCC(F)(F)C1 338311516 DSHKUGNVEKFFAW-AWEZNQCLSA-N 293.361 3.623 30 20 CHED Cc1ccccc1C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 334649549 LBQVJYMUWUZTLV-NVXWUHKLSA-N 268.404 3.867 30 20 CHED CC[C@H](CC(=O)N[C@H]1CCC[C@@H]1C#N)c1ccc(C)cc1 331086624 DHVUVICFTRYTQB-OIISXLGYSA-N 284.403 3.687 30 20 CHED N#CCC1CCN(Cc2ccsc2C(F)(F)F)CC1 529541885 MOIUYWGHQDXUKX-UHFFFAOYSA-N 288.338 3.893 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cncc(F)c1 90664664 XBBPJIYIPVSUAJ-DYVFJYSZSA-N 283.350 3.916 30 20 CHED C=C(C)CNC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 427951843 QTCZSUUWFPZNBO-UHFFFAOYSA-N 273.420 3.954 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)Cc1ccc(C)s1 424680876 NFFSABXUEAUDLD-LLVKDONJSA-N 265.422 3.706 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C 514446986 TWZBVXCOPYYDAZ-WBVHZDCISA-N 286.419 3.963 30 20 CHED Cc1cc(C)cc(C2=CCN(c3cnccc3C#N)CC2)c1 91982262 NMXRRIISWGWXIS-UHFFFAOYSA-N 289.382 3.864 30 20 CHED N#Cc1ccc(F)c(CN[C@H](c2ccccc2)C(F)F)c1 433044822 KKACXCDUGHFCFY-OAHLLOKOSA-N 290.288 3.793 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCCCC)C(C)C 438454965 MRVJBYNLHJUMNI-HOTGVXAUSA-N 296.455 3.578 30 20 CHED C[C@]1(CNCc2cccc(C#N)c2)C[C@@H]1c1ccccc1 339443846 AXFWPZVTSNDWRA-RTBURBONSA-N 276.383 3.842 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 339950589 RKOKKNDOHHOCMO-QEJZJMRPSA-N 299.418 3.880 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1c2cc(F)ccc2C[C@@H]1C 436302497 AQYUVSHYKBYAKS-GGBBIFEXSA-N 289.394 3.630 30 20 CHED C[C@H](C(=O)Nc1ccccc1Cl)c1cccc(C#N)c1 336031250 CVWDAICYRQMGTI-NSHDSACASA-N 284.746 3.954 30 20 CHED C=CCN(CCC)[C@H]1C[C@H](OCC)C12CCCC2 524893366 PDJFYKLEXVNYNZ-GJZGRUSLSA-N 251.414 3.622 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@@H](C)CC[C@H]1CC 436306750 JGUAJRHSOIFPLH-UTSKFRMZSA-N 265.441 3.772 30 20 CHED C=CCCC1(C(=O)N[C@H](C)Cc2ccsc2)CC1 527235859 ILVCOPXQWGBSLJ-GFCCVEGCSA-N 263.406 3.542 30 20 CHED C=CCCC1(c2nc(-c3ccc4nc[nH]c4c3)no2)CC1 346563957 JVWCYKXVHRDPPU-UHFFFAOYSA-N 280.331 3.611 30 20 CHED CC(C)C[C@H](C)N(C)C(=O)CSCCC(C)(C)C#N 342004787 TVARKGCDKMHRRW-ZDUSSCGKSA-N 284.469 3.552 30 20 CHED N#CC1CCC(CNCc2ccc3cc[nH]c3c2)CC1 527704028 UCRIENSVMYKBGD-UHFFFAOYSA-N 267.376 3.587 30 20 CHED Cc1c(Cl)cnc(N2CCSC(C)(C)CC2)c1C#N 432937071 IYPSVBUFZCUJQA-UHFFFAOYSA-N 295.839 3.637 30 20 CHED CC(C)(C)c1noc(C[C@H](CC#N)c2ccccc2)n1 346927017 CKUYXJJGJWRITM-ZDUSSCGKSA-N 269.348 3.607 30 20 CHED CCOc1cccc(/C=C\c2ccncc2C#N)c1 347442918 MDASCLSWQRSTAU-SREVYHEPSA-N 250.301 3.522 30 20 CHED CC1(NCc2cccc(OCCCC#N)c2)CCCC1 341852887 CPLVTHWHVGRMCQ-UHFFFAOYSA-N 272.392 3.791 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 343508004 PBXWNAOKWDUJCV-XJKSGUPXSA-N 274.364 3.917 30 20 CHED CCCCC1CCC(NC(=O)NCC2(CC#N)CC2)CC1 430438205 LZQIJMHIPCFAIW-UHFFFAOYSA-N 291.439 3.728 30 20 CHED Cc1ccc(NC(=O)COc2ccc(C#N)c(C)c2)cc1C 434649972 GMVPQAYZLMNHTM-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CC[C@H](NC(=O)Nc1ccc(F)cc1C#N)C(C)(C)C 435174018 QPJQOMHUWBRXQC-ZDUSSCGKSA-N 277.343 3.644 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)C[C@H](C)CC(C)(C)C 604545206 HNYSYVFHMGNSQR-BBRMVZONSA-N 266.429 3.893 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@H](C)Cc1ccc(OC)cc1 602442196 UCNKQPJYCDHAEY-JKSUJKDBSA-N 288.435 3.888 30 20 CHED C=CCOCCCN1CCC(OC2CCC(C)CC2)CC1 348057901 UUWWQULSUWMZMG-UHFFFAOYSA-N 295.467 3.639 30 20 CHED Cc1cc(NC(=O)c2ccc(C3CCC3)cc2)ncc1C#N 520603878 DLKUMKLPSRWZOW-UHFFFAOYSA-N 291.354 3.782 30 20 CHED CS[C@@H](C)CCC(=O)Nc1cc(C#N)c2ccccc2n1 345036640 PMNWPDKKWAKYQF-NSHDSACASA-N 299.399 3.577 30 20 CHED Cn1nccc1/C=C\C(=O)c1ccc(-c2ccccc2)cc1 255547492 HBNAQRGNPGBYPA-QXMHVHEDSA-N 288.350 3.983 30 20 CHED CN(CC(C)(C)C#N)C[C@@]1(C)C[C@@H]1c1ccccc1 602676147 SLZLYPLWFFLHDA-NVXWUHKLSA-N 256.393 3.662 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2Cl)CC1 520494005 YBEAQUKOACZVRI-CYBMUJFWSA-N 293.794 3.594 30 20 CHED O=C1/C(=C/c2ccc(O)c(F)c2)CCc2ccccc21 255366669 LUMHTXBGCRYRAW-UKTHLTGXSA-N 268.287 3.744 30 20 CHED C=CCC[C@H](NC(=O)N=c1cc[nH]c(C)c1)c1ccccc1 348842817 BLPAIFFIRUQVNL-KRWDZBQOSA-N 295.386 3.641 30 20 CHED CCC(C#N)(CC)c1nc(C2Cc3ccccc3C2)no1 528128211 DORRLFFVBLOSHM-UHFFFAOYSA-N 281.359 3.533 30 20 CHED N#CCCCCNC1CCC(OC2CCCC2)CC1 449131006 JLVONYWYQFXYGN-UHFFFAOYSA-N 264.413 3.540 30 20 CHED C[C@@H](SCc1nnc(C2CC2)o1)c1ccc(C#N)cc1 525212215 DZBIKGWUMKTNTI-SNVBAGLBSA-N 285.372 3.813 30 20 CHED CC(C)n1cc(C(=O)/C=C\C2=Cc3ccccc3OC2)cn1 255910475 KTAZQFYZRFGSTJ-FPLPWBNLSA-N 294.354 3.679 30 20 CHED Cc1csc([C@@H](C#N)C(=O)/C=C\C2CCCCC2)n1 254955493 MTYCSUMKGLMSFU-WSROAFLRSA-N 274.389 3.764 30 20 CHED O=C1/C(=C/c2cc(F)c(O)c(F)c2)Cc2cc(F)ccc21 254959846 PWBKPNZAADLQTA-XCVCLJGOSA-N 290.240 3.632 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(O)c(OC)c2)s1 254930032 DTSVSSMYXRYFSU-YVMONPNESA-N 288.368 3.921 30 20 CHED C=CCC(CC=C)c1nc(CCc2ccco2)no1 357350870 APIFZVZSUQVWQL-UHFFFAOYSA-N 258.321 3.684 30 20 CHED CO[C@@H](c1ccccc1F)[C@@H](C)Nc1ccc(C#N)cc1 539393241 RONACUDCXAAKBD-SJKOYZFVSA-N 284.334 3.885 30 20 CHED CC(C)(C#N)c1ccc(N=c2cnc3ccccc3[nH]2)cc1 603931808 MLTAEPREYJCODH-UHFFFAOYSA-N 288.354 3.596 30 20 CHED CN(CCCOc1cccc(Cl)c1)CCC(C)(C)C#N 539565667 MSOWYUXDPDGPJB-UHFFFAOYSA-N 294.826 3.981 30 20 CHED Cc1cccc(OC[C@H](C)NCc2ccc(C#N)c(C)c2)c1 443987307 XITSWGXOHBUERI-INIZCTEOSA-N 294.398 3.732 30 20 CHED N#Cc1ccc(S[C@@H](C#N)C2CC2)cc1C(F)(F)F 601079763 FZOWITAKCOBAFP-LBPRGKRZSA-N 282.290 3.971 30 20 CHED C=C(CC)CN(C)[C@H](c1cccc(F)c1)c1cnn(C)c1 358494426 FRIOUSVRHLJMBC-QGZVFWFLSA-N 287.382 3.547 30 20 CHED CC[C@H](NC[C@@H]1CCCCS1)c1ccc(C#N)cc1 447603123 WSOTYWFOFCARQO-HOTGVXAUSA-N 274.433 3.885 30 20 CHED C=CCCCCCN(C)CCC(=O)Nc1cccc(C#N)c1 532967778 UQLNCNQBQOJBNF-UHFFFAOYSA-N 299.418 3.565 30 20 CHED CCC(C)(C)N(C)C(=O)C[C@H](CC#N)c1ccccc1 356174988 XQVORTBAUOIEKB-HNNXBMFYSA-N 272.392 3.721 30 20 CHED C[C@@H](NCCCc1ccccc1)c1ccc(C#N)c(F)c1 537400029 HYGVVKYUAZFNGX-CQSZACIVSA-N 282.362 3.981 30 20 CHED Cc1cccc(CN(C)C(=O)c2cccc(F)c2C#N)c1C 358769644 NCBKRDZHYSJIMN-UHFFFAOYSA-N 296.345 3.586 30 20 CHED CCCCOc1ccc(CCN[C@@H]2CC[C@@H](C#N)C2)cc1 442718335 LLGOFGDJKMVQHN-IAGOWNOFSA-N 286.419 3.690 30 20 CHED C=C(C)Cn1nccc1-c1ccc(F)c(Cl)c1 536667058 WBUQXPLFANIRPW-UHFFFAOYSA-N 250.704 3.919 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 358202638 MEMRNAAONSEDKR-GFCCVEGCSA-N 295.329 3.507 30 20 CHED CC[C@H](C)Oc1cc(C)ccc1CN[C@@H]1CC[C@H](C#N)C1 442787261 VKISLUYEFRRASD-YQQAZPJKSA-N 286.419 3.954 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2cc(C#N)ccc2NC2CC2)C1 355645082 QPNHMCWTWHPNRE-OLZOCXBDSA-N 297.402 3.897 30 20 CHED C=CCCC1(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 353853117 RKWWYJUWAOMUIL-UHFFFAOYSA-N 293.750 3.754 30 20 CHED C[C@H](c1c(F)cccc1F)N1CCC[C@](C)(C#N)C1 612163137 ONDICJLKVXOLBS-IAQYHMDHSA-N 264.319 3.651 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1cc(C)ccc1Cl)C1CC1 537932702 UGVITQIHGUVLCZ-GFCCVEGCSA-N 293.794 3.593 30 20 CHED CCCC(=O)Nc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442856913 DUFGFAJSTLSQGK-SWLSCSKDSA-N 271.364 3.529 30 20 CHED CCCN(CC#N)Cc1cnc(-c2ccccc2F)s1 449020149 YLSKWJATPGZURX-UHFFFAOYSA-N 289.379 3.685 30 20 CHED CCC1CCC(CNC(=O)c2sccc2C#N)CC1 353619315 OAIJCPNSHSEEDK-UHFFFAOYSA-N 276.405 3.566 30 20 CHED C[C@H](CC(F)(F)F)NC(=O)C[C@H](CC#N)c1ccccc1 356761079 GSDXJCZBDJDXJV-YPMHNXCESA-N 298.308 3.531 30 20 CHED C=C(CC)CSCC(=O)Nc1ccc(OCC)cc1 539095040 MUOOJNNZQNHVEF-UHFFFAOYSA-N 279.405 3.723 30 20 CHED CC1=CCCN(c2c(C#N)cnc3c(C)cccc23)C1 619550149 GOGGDHKGUCOEKN-UHFFFAOYSA-N 263.344 3.571 30 20 CHED CC(C)CCN(C)Cc1cc(C#N)ccc1Br 617196078 PHRCQOLKBRQZNH-UHFFFAOYSA-N 295.224 3.799 30 20 CHED COCCN(CC#N)Cc1cccc(-c2ccccc2C)c1 453602408 VXOHSXLKLPSQCW-UHFFFAOYSA-N 294.398 3.634 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H]1CCCC[C@H]1CC 459010665 XCZNSSBVMDPZFQ-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C[C@H](CC#N)Sc1ccccc1NCC[C@@H]1CCOC1 453086877 MKOOKOFSSZIRJS-ZIAGYGMSSA-N 290.432 3.919 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)NCC#Cc1cccc(F)c1 451507555 LSYQZFSAFVSETK-NVXWUHKLSA-N 287.378 3.510 30 20 CHED C=CCC1(CNC(=O)NC[C@@H]2CCCSC2)CCCC1 454966551 YBKSFAIKLHUQMU-AWEZNQCLSA-N 296.480 3.565 30 20 CHED C=CCCC(=O)N1CC[C@H](CSc2ccccc2)C1 266314819 GZIBSDQGCCEZTO-AWEZNQCLSA-N 275.417 3.593 30 20 CHED C=C[C@@H](Nc1ccccc1COC(C)(C)CC)C(=O)OC 619734388 HFWPORLEOMYBAM-CQSZACIVSA-N 291.391 3.531 30 20 CHED C=CCCC(=O)Nc1cc(-c2cccnc2)ccc1C 366550691 HJZWPWAJSCAWLB-UHFFFAOYSA-N 266.344 3.962 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OCC2CC2)cc1 276175886 USVYBEYTVXSBIC-UHFFFAOYSA-N 274.364 3.515 30 20 CHED C=CCCN(C)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 451059235 IEOPZVPRJGHTGN-JKSUJKDBSA-N 257.377 3.605 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@H]1c1cccs1)OCC 270019786 AILJKUGYXNRLQG-UONOGXRCSA-N 293.432 3.783 30 20 CHED CCc1ccccc1CC(=O)N[C@@H](C)c1ccc(C#N)cc1 276115275 XYAXGPRSHRZQAD-AWEZNQCLSA-N 292.382 3.541 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 548290622 YGXVEKGEZTVGOU-FZMZJTMJSA-N 290.794 3.910 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(C)ccc1Cl 454967046 WBHZDZZFGDFMOH-UHFFFAOYSA-N 266.772 3.982 30 20 CHED C=CCC1(C(=O)Nc2cc(C)ns2)CCCCC1 450024215 CNLSNKWOCAVNAT-UHFFFAOYSA-N 264.394 3.917 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCC(CC#N)CC1 542844687 MSYGHTSSPYUELQ-HOTGVXAUSA-N 291.439 3.681 30 20 CHED C=CCn1cccc1-c1nc(-c2ncsc2Cl)no1 361359791 GVQLNKBPOYIYFZ-UHFFFAOYSA-N 292.751 3.501 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1nc2c(s1)CCC2 457925461 OWIKXLOADZFCGR-NSHDSACASA-N 290.432 3.577 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc([C@H]2CCCC(C)(C)C2)no1 453170593 IHUZWVDKXUJQHU-ZETOZRRWSA-N 259.353 3.555 30 20 CHED C[C@@H]1CC=C(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 456001038 RMDPIKILWIQYNI-RHSMWYFYSA-N 282.387 3.894 30 20 CHED CO[C@H](Cc1ccccc1)CN(CCC#N)CC(C)(C)C 450429797 NGWJZRJCCKNOQG-QGZVFWFLSA-N 288.435 3.506 30 20 CHED C=C(CC)CNC(=O)N(C)Cc1ccccc1SC 455518428 GTERCSSVVOAYTO-UHFFFAOYSA-N 278.421 3.516 30 20 CHED CC1(c2ccccc2)CC(NCc2ccc(C#N)cc2)C1 547374253 CSZPXEQPWMGJRT-UHFFFAOYSA-N 276.383 3.768 30 20 CHED C=CCCC[C@H](C)N[C@H](C)[C@H]1COc2ccccc21 543554736 XLENGSPMCHNSER-SQWLQELKSA-N 259.393 3.886 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1ccc(F)cc1 455306039 FVUXBBUOPZISFO-HNNXBMFYSA-N 276.355 3.638 30 20 CHED C=CCOCCCC(=O)N(c1cccc(F)c1)C(C)C 622971694 ACQMWZDNTQFDFV-UHFFFAOYSA-N 279.355 3.550 30 20 CHED C=CCC1(CNC(=O)C(C)(C)CSC)CCCC1 456502976 HTWUNKMHPUSOKA-UHFFFAOYSA-N 269.454 3.628 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)NCCCC#N 542229252 RNLQHHKXCXUPRL-HNNXBMFYSA-N 264.413 3.793 30 20 CHED COCc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 271935336 MUFCLLQDDHHFEA-CYBMUJFWSA-N 298.361 3.695 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@H](CCC)C1 540490237 WDNTWTFLWASTAK-INIZCTEOSA-N 281.440 3.788 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2c[nH]c3cc(F)ccc23)C1 274173359 CFCBFDRIPNIMBS-DOMZBBRYSA-N 285.366 3.521 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 464757068 UAFFYLCIUFLRRF-RISCZKNCSA-N 280.799 3.911 30 20 CHED COc1ccc([C@H]2CCCN2c2cc(C#N)cc(C)n2)cc1 377138136 BSCNECCMYFNMEB-QGZVFWFLSA-N 293.370 3.612 30 20 CHED CCSCCCN[C@H](CC)c1ccc(C#N)cc1 282915814 XOLBQMHIWRODOY-OAHLLOKOSA-N 262.422 3.742 30 20 CHED CCN(Cc1ccc(C#N)cn1)[C@@H](C)c1cccc(OC)c1 559284115 XSNCYEFULFKDPD-AWEZNQCLSA-N 295.386 3.545 30 20 CHED CC(C)C(CNC(=O)[C@H](C)c1cccc(C#N)c1)C(C)C 462340428 XRCSFWRYBMNQBX-CQSZACIVSA-N 286.419 3.706 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C 466976409 VEEVZRUHZWQLNI-OAHLLOKOSA-N 274.408 3.991 30 20 CHED N#Cc1c(F)cccc1N[C@H]1C[C@H]1Cc1ccccc1 462885154 AWXLNCJSHLNQGY-DYVFJYSZSA-N 266.319 3.740 30 20 CHED C=CCCCCNC(=O)NCc1c(F)cccc1SC 557975451 VGKZBCQCYOPTFF-UHFFFAOYSA-N 296.411 3.703 30 20 CHED CC(C)O[C@@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)C1(C)C 463038684 ZIMCCOGURAAPGN-XOKHGSTOSA-N 286.419 3.801 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC=CC[C@H]1C 551557205 BYLAILKYAFGDEF-SJLPKXTDSA-N 283.415 3.846 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N(CC#N)C1CCCC1 286359969 HLZQAYJSDDNOQY-UHFFFAOYSA-N 274.364 3.620 30 20 CHED C#CCCCC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1OC 286893341 JFSTXZVXUMFRAT-RDJZCZTQSA-N 299.414 3.798 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCCC(F)(F)F 281742489 JZKLANFCQKPWDY-GIJQJNRQSA-N 282.265 3.702 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2c3c(cccc13)CC2 285140197 PEFRIAFMVUKWNW-SFHVURJKSA-N 278.355 3.817 30 20 CHED C=CCCC(=O)O[C@@H](C)c1ccccc1SC 800011768 PBWDNYJBKGJPPF-NSHDSACASA-N 250.363 3.979 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1coc2ccc(C(C)C)cc12 804625717 BWSFWBWPIMRJGA-GFCCVEGCSA-N 269.344 3.650 30 20 CHED C=CCC[C@@H](C(=O)NCC1(C(F)F)CC1)c1ccccc1 471268909 PDXOQOLYTHYPEW-CQSZACIVSA-N 293.357 3.898 30 20 CHED Cc1ccccc1CCN(C)CC(C)(C)CCC#N 295111471 LSYKLZALFRVUKA-UHFFFAOYSA-N 258.409 3.799 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3cc(C)nc(C#N)c3)C2)cc1 557673099 CRHZUAYVMHIMOT-RDJZCZTQSA-N 291.398 3.953 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)[C@H]1c1cccnc1 292686183 AZUHWMCTYGQTJX-HNNXBMFYSA-N 283.400 3.598 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](C)c1ccc(C)cc1C 472761360 DWDAMJVKVQPDEU-HZPDHXFCSA-N 261.409 3.623 30 20 CHED COc1ccc(C(=O)/C=C/c2c[nH]c(C(F)(F)F)c2)cc1 806564806 GWFSIBISHMINFS-FARCUNLSSA-N 295.260 3.938 30 20 CHED C=CCOCCCN1CCC[C@@H]1c1ccc(OCC)cc1 470715684 HPXZBSARGJAMCV-GOSISDBHSA-N 289.419 3.815 30 20 CHED C=C(C)CCN1CCCC[C@H]1CCNC(=O)OC(C)(C)C 805764676 DBOZOSXNTWZSBN-HNNXBMFYSA-N 296.455 3.722 30 20 CHED C#Cc1ccc(CN[C@@H]2CCO[C@@H](C(CC)CC)C2)cc1 809635293 VRPLEHXRWCFUGE-RTBURBONSA-N 285.431 3.741 30 20 CHED C#Cc1ccc(CNCCc2nc3ccccc3s2)cc1 809727965 FENBRVXHEHJJPR-UHFFFAOYSA-N 292.407 3.610 30 20 CHED Cc1nc(N2CCC[C@H]2c2ccncc2)c(Cl)cc1C#N 290915643 GXJHQQZKRVUCEV-HNNXBMFYSA-N 298.777 3.652 30 20 CHED C#Cc1cc(F)c(NCC#Cc2ccc(F)cc2)c(F)c1 802745516 BLTGMEIMUGBZOW-UHFFFAOYSA-N 285.268 3.549 30 20 CHED Cc1ccc2c(c1)CN(C(=O)CC(C)(C)C#N)C(C)(C)C2 294241108 PQMAXNMQFLPFRD-UHFFFAOYSA-N 284.403 3.598 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)Cc2nc(Cl)ccc21 806580057 ZGHZQCPIOUBZHG-YCRREMRBSA-N 291.684 3.836 30 20 CHED C#CCCCc1nc([C@@H]2CCCc3cc(OC)ccc32)no1 809441711 JRJQHUOHSCVARP-MRXNPFEDSA-N 296.370 3.502 30 20 CHED CC(CCc1ccco1)=NNc1nccnc1C1CCC1 807994722 WIXZAKLIHJVASX-UHFFFAOYSA-N 284.363 3.758 30 20 CHED C=C(C)CCNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 567960647 UKFXADFRYCWKLW-HZPDHXFCSA-N 288.435 3.674 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1ccc(F)cc1F 809577977 GFQQTFVQEHKJND-ZDUSSCGKSA-N 252.308 3.555 30 20 CHED CCCCN(Cc1ccccc1O)[C@H]1CC[C@@H](C#N)C1 294248429 UKGSVPBVUGVDAX-ZBFHGGJFSA-N 272.392 3.687 30 20 CHED CC(C)(O)CCSCCC1(C#N)CCCCC1 564736858 CCJHJJBTPPVALH-UHFFFAOYSA-N 255.427 3.745 30 20 CHED CCC(=NNc1ccc(F)cc1)c1cccc(N)c1 814693445 PXYBWICVSKVCQU-UHFFFAOYSA-N 257.312 3.634 30 20 CHED C=CCCCCCCCNC(=O)NCc1cccc(F)n1 811896934 HJFSENIQYKLBJX-UHFFFAOYSA-N 293.386 3.547 30 20 CHED Cc1cccc(CC(=NNC[C@@H]2CCSC2)C2CC2)c1 811658967 QONCZRAEKBYBCG-HNNXBMFYSA-N 288.460 3.646 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(OCCC)cc1 810658413 DYAYYRIJBJVHNZ-UHFFFAOYSA-N 293.366 3.638 30 20 CHED CC[C@H](CSC)N(C)C(=O)Nc1scc(C)c1C#N 574820551 SOVAVKNIMOBPGU-SNVBAGLBSA-N 297.449 3.534 30 20 CHED CC[C@H](C)C[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 574441639 AOFCBOKKVRZJDV-DCGLDWPTSA-N 256.393 3.960 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@H](C(=O)O)C[C@H]1C 814858850 IBXZAXAHUNHBPA-RDBSUJKOSA-N 282.428 3.812 30 20 CHED C[C@@H](COC(=O)c1ccc(C#N)o1)C1CCCCC1 815249012 COJXQUYWRWWGET-NSHDSACASA-N 261.321 3.524 30 20 CHED C[C@@H](NC(=O)Cc1ccc(C#N)cc1)[C@H](C)C1CCCCC1 480377054 MWUONJWVZGDWAI-LSDHHAIUSA-N 298.430 3.822 30 20 CHED CC(=NOCCC(F)(F)F)c1nccc2ccccc12 811648228 HFKZPSNWBYWXDZ-UHFFFAOYSA-N 282.265 3.928 30 20 CHED Cc1cccc(CC(=O)N(C)c2ccccc2C#N)c1Cl 489722655 GTNPCZXPLZOYDE-UHFFFAOYSA-N 298.773 3.726 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)c1ccc(Cl)cc1 812578365 OZPBENDWQQNFEX-BPLDGKMQSA-N 275.779 3.567 30 20 CHED CCCCCC[C@@H](C)C(=O)N(C)CC(C)(C)C#N 817617976 NCUHYZZCRJVRFI-CYBMUJFWSA-N 252.402 3.601 30 20 CHED C=CCC(C)(C)CNC1CCN(C2CCCCC2)CC1 577845526 NUKFQLKPDBVITO-UHFFFAOYSA-N 278.484 3.975 30 20 CHED C#CCCCC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 819255054 QUOVNEHTAFPWBD-JOCQHMNTSA-N 275.779 3.506 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1oc2ccccc2c1COC 488837270 KNASFVTWXSXCSJ-ZDUSSCGKSA-N 299.370 3.760 30 20 CHED C=CC[C@H](CC)NC[C@@H](O)c1ccccc1C(F)(F)F 819283358 JKYHTSCYGIAPFE-SMDDNHRTSA-N 287.325 3.683 30 20 CHED C#Cc1ccccc1CC(=O)O[C@H](C)c1ccccc1 810551291 RUNIRDSCIUDPBT-CQSZACIVSA-N 264.324 3.515 30 20 CHED Cc1nc(C(C)C)oc1COC(=O)CCCCCC#N 813224827 DNIBLTJTCWLIBP-UHFFFAOYSA-N 278.352 3.624 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)SCCCC 489905184 HDCSABNXQAHPSF-GFCCVEGCSA-N 257.443 3.627 30 20 CHED C=CC1CCN(c2noc3ccc(Cl)cc23)CC1 577311538 CJWHFBCOPHMPEN-UHFFFAOYSA-N 262.740 3.884 30 20 CHED CCc1ccc([C@H]2CCCCCN2C(=O)C#CC(C)C)o1 828436951 INKMNQKZJXVXLM-MRXNPFEDSA-N 287.403 3.945 30 20 CHED C=CCC1(N[C@H]2CCC[C@@H](C3CC3)C2)CCOCC1 668551963 BDVUYBVFRZVBER-CVEARBPZSA-N 263.425 3.670 30 20 CHED Cc1cccnc1C(C)(C)CNc1ccc(C#N)cc1 589607450 ILOBOXULCPADIL-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=CCCC[C@H](NCc1cc(C(C)(C)C)oc1C)C(=O)O 900068404 HCEMCPORTISHBT-AWEZNQCLSA-N 293.407 3.785 30 20 CHED N#Cc1cnc(NC2(Cc3ccccc3)CC2)c(Cl)c1 589600006 PKVXCBLPGWAQIK-UHFFFAOYSA-N 283.762 3.794 30 20 CHED Cn1cccc1CNc1ccc(OC(C)(C)C)c(C#N)c1 824722676 VSLOKSPRDGZHPL-UHFFFAOYSA-N 283.375 3.686 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1ccc2c(c1)CCCC2 588524074 XKORZHIPSRRKAZ-UITAMQMPSA-N 281.330 3.996 30 20 CHED N#CCCCCCC(=O)NCC1(Cc2ccccc2)CCC1 588161321 DGOMDGHDINJASF-UHFFFAOYSA-N 298.430 3.990 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](O)c1ccc(F)cc1 823573719 QBHUMOZVSHOROT-CZUORRHYSA-N 265.372 3.584 30 20 CHED C=C1CCN(C(=O)c2nc(-c3cccs3)oc2C)CC1 731052375 NCXBBEGMDXKMHH-UHFFFAOYSA-N 288.372 3.504 30 20 CHED CC(C)(C)Oc1ccc(NCc2ccc(F)nc2)cc1C#N 824721266 BGCACIPSIDMXJG-UHFFFAOYSA-N 299.349 3.882 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(F)c2F)cc1 588386931 QUBXUIZFNKUCHP-YFHOEESVSA-N 274.266 3.870 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)CCC#N)CC(C)(C)C 588770873 WDULNQKVZYEPGH-ZDUSSCGKSA-N 266.429 3.895 30 20 CHED C=C(CC)CN1C[C@H](c2ccccc2C)OC[C@@H]1C 583338182 DSKZHFNZBRNVAZ-DOTOQJQBSA-N 259.393 3.723 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2C[C@H]2OC(C)(C)C)n1 664892006 SPCAVQNNRCTVRW-GHMZBOCLSA-N 264.369 3.594 30 20 CHED N#CCOc1cccc(/C=C/C(=O)C2CCCCC2)c1 730151961 VPCDSPZUBUBZPL-MDZDMXLPSA-N 269.344 3.752 30 20 CHED CCOC(=O)C[C@@H](C)SCCCCC1(C#N)CCC1 901494812 MNSGIDXZTGJAKE-CYBMUJFWSA-N 283.437 3.925 30 20 CHED CC[C@@H](C)[C@@H](C)N(Cc1ccc(OCC#N)cc1)C1CC1 732200812 APUQEDJBPOULQM-HUUCEWRRSA-N 286.419 3.988 30 20 CHED C=CC(C)(C)CCCN[C@@H](C)CC(C)(C)CC(=O)O 902280858 IYDUOZUDUNPQPR-ZDUSSCGKSA-N 269.429 3.848 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCC[C@H](O)CC1 837774596 CQRSBBVXTFHCGI-HOTGVXAUSA-N 298.471 3.539 30 20 CHED COC[C@@H](C)[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839434358 BZONPJKAPSGWTQ-CHWSQXEVSA-N 296.370 3.569 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 835062938 GTCOPUQHKLQKHH-FVQBIDKESA-N 298.386 3.550 30 20 CHED C[C@]1(CC(=O)OCC2(C#N)CCCC2)CC1(Cl)Cl 835282930 NCTVWJKMOHGLID-NSHDSACASA-N 290.190 3.588 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1ccc(C#N)s1 835020997 QWKRXWFDOYEDHE-HNNXBMFYSA-N 299.374 3.760 30 20 CHED CN(C(=O)c1sccc1Cl)c1ccc(C#N)cc1F 588906726 VKLOANSBBSFIGT-UHFFFAOYSA-N 294.738 3.689 30 20 CHED CCc1cccc(NC(=O)Cc2cccc(C#N)c2)c1CC 583788372 UIXBEVFLSDLTPZ-UHFFFAOYSA-N 292.382 3.864 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cc(C(=O)OC)cs1 583243467 BRKKVLWBCAMSEV-LLVKDONJSA-N 281.421 3.788 30 20 CHED O=C1/C(=C\c2cc(F)c(F)cc2F)Cc2cc(O)ccc21 588535165 OOXHGYYIXGNPDH-WMZJFQQLSA-N 290.240 3.632 30 20 CHED CCCC[C@@H](CC)CC(=O)N(CCC#N)CC(C)C 735271502 JLHMKFHEHNBEKE-OAHLLOKOSA-N 266.429 3.991 30 20 CHED CSc1ccccc1C(=O)/C=C\c1c(Cl)cnn1C 588617914 APSBAMXSHCZBMT-FPLPWBNLSA-N 292.791 3.692 30 20 CHED Fc1cccc2c1CC[C@@H]2NN=C[C@H]1CC=CCC1 835021753 ZBTLDDDYSZLRGI-LRDDRELGSA-N 258.340 3.745 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 733758591 JSYMWTSEXKPMDX-BZUAXINKSA-N 281.440 3.763 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H]2C[C@@H]21 591941485 LYDICAOXLZJCCV-YGRLFVJLSA-N 283.762 3.749 30 20 CHED Cc1cccc2c1C/C(=C/c1cc(F)c(O)c(F)c1)C2=O 749892972 VZTLFODIJKAGSJ-WZUFQYTHSA-N 286.277 3.801 30 20 CHED CCC(=NNc1ccc(C)cc1)c1c(C)nn(C)c1C 741837087 HYAOHYISFRJQII-UHFFFAOYSA-N 270.380 3.572 30 20 CHED N#CCSCCCN(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 745943000 XKJOKMJHHGGLKR-HRCADAONSA-N 292.492 3.924 30 20 CHED C=C(Br)CN(Cc1ccccc1F)C1CC1 919647757 MXJYEDHLBRAFFT-UHFFFAOYSA-N 284.172 3.699 30 20 CHED C=CCCSCCNC1CCC2(CCOCC2)CC1 595057749 DOULSIQWNQMCCA-UHFFFAOYSA-N 283.481 3.625 30 20 CHED CC1(C)C(=NNc2ccc3ccccc3n2)[C@@H]2CCCO[C@H]21 743420953 LNOQWGOQIVTDDS-SUMWQHHRSA-N 295.386 3.838 30 20 CHED C=C(C)CNC(=S)Nc1ccc(OC2CCC2)c(F)c1 748605509 HOKMYWUFYQHONH-UHFFFAOYSA-N 294.395 3.620 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cccc(O)c1 916250731 IPAPKTMTLUZGTC-UHFFFAOYSA-N 262.259 3.507 30 20 CHED CCCCCC[C@H](C)NN=C(C)c1cnn(CC)c1 743449876 CAJQAXXHSXMOHR-ZDUSSCGKSA-N 264.417 3.576 30 20 CHED C=CCN(C(=S)Nc1ccccc1CC)C(C)C 917589372 STWLGFUXVPRUMA-UHFFFAOYSA-N 262.422 3.842 30 20 CHED O=C1/C(=C\c2ccccc2)CCc2c(O)cccc21 742435271 SGBVYCVSWPQDFL-QBFSEMIESA-N 250.297 3.605 30 20 CHED C=C(C)CCOC(=O)c1ccc(OCC2CC2)cc1 744304681 XDFXNMSGKDLNPU-UHFFFAOYSA-N 260.333 3.598 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCc1ccc(F)cc1 912774642 QWTTWTVLDUBCKZ-UDWIEESQSA-N 294.329 3.741 30 20 CHED N#CC[C@@H]1CCCN(CCCCCOc2ccccc2)C1 597177481 MWJQMJHZJFYFQA-KRWDZBQOSA-N 286.419 3.861 30 20 CHED N#Cc1ccsc1C(=O)NC1CCC(C2CCC2)CC1 598451766 ZLVHUXSLUZKWIC-UHFFFAOYSA-N 288.416 3.708 30 20 CHED C#CCN(C(=O)[C@H](C)c1cccc(F)c1)C1CCCCC1 741913611 ZTUZJVWKYMXMTE-CQSZACIVSA-N 287.378 3.724 30 20 CHED C[C@H]1N(C(=O)c2sccc2C#N)c2ccccc2C1(C)C 598276827 UMOXPCJZMRHAIB-LLVKDONJSA-N 296.395 3.946 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842941341 AAIOWNHPZVCDIU-MKBNYLNASA-N 288.416 3.879 30 20 CHED CCCCCCCC(=O)OCc1conc1CC 848703829 MMJOVHYKSIBICM-UHFFFAOYSA-N 253.342 3.641 30 20 CHED C=CCCCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC 595031914 FCFLIFRWKPDTJE-GFCCVEGCSA-N 278.352 3.610 30 20 CHED CC(C)(C)[C@H]1CCN(c2nc(C#N)c(Cl)s2)C1 596195559 SGAXLJAIRVHXHM-QMMMGPOBSA-N 269.801 3.541 30 20 CHED Cc1ccc2oc(CN[C@H]3CCC[C@@H](C#N)C3)cc2c1 595085244 JQNIPVKWCRBBGB-HIFRSBDPSA-N 268.360 3.913 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](/N=C\c2ccccc2O)C1(C)C 840714024 WTPDXSOQLWMGSF-UCEVQLITSA-N 275.392 3.793 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 594038296 MOBKJDNOQSGCDP-HOTGVXAUSA-N 298.430 3.988 30 20 CHED N#Cc1ccc(NN=C2CCc3c(F)ccc(F)c32)cc1 749612885 TVUGAXJXRSESOS-UHFFFAOYSA-N 283.281 3.599 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@]1(c2ccccc2)CC1(C)C 597661754 SEDPCGISYXGBAF-LJQANCHMSA-N 298.430 3.800 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C\C2CCCC2)cc1 843593933 OPHLBXKGNGFOJZ-XFXZXTDPSA-N 285.387 3.614 30 20 CHED CCC(CC)c1noc(CC2(C#N)CCCCC2)n1 596582136 JXQWQNMIJBYTHV-UHFFFAOYSA-N 261.369 3.990 30 20 CHED C[C@H](NC(=O)NC[C@H](C)C(C)(C)C)c1cccc(C#N)c1 743612364 JFMQZWZADCQCEM-STQMWFEESA-N 287.407 3.601 30 20 CHED CC(=NNC(=S)Nc1cc(C)ccc1F)C1CCC1 747630553 PYHXYUJQSYTUCA-UHFFFAOYSA-N 279.384 3.597 30 20 CHED CCCCCC[C@H](C)NN=C1CCN(CC)C[C@H]1C 743450187 HGUKKBNHZJDWHV-CABCVRRESA-N 267.461 3.653 30 20 CHED C#C[C@@H](OC(=O)CC[C@@H](C)OC)c1ccc(Cl)cc1F 842353854 QZNXLLWBZOZCOY-QMTHXVAHSA-N 298.741 3.512 30 20 CHED C=C(C)CON=Cc1nc2cc(C(F)(F)F)ccc2n1C 844619242 VKBDWXMJHDZHOS-UHFFFAOYSA-N 297.280 3.519 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCc2cc(O)ccc2C1 683723978 ZKAOENOGJGWIKK-DLBZAZTESA-N 273.420 3.974 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CSCc2ccccc21 924847614 HGAIYNUTKQZUGX-WFASDCNBSA-N 274.433 3.892 30 20 CHED CN(CCC#N)c1ccc(C=NNc2cccc(F)c2)cc1 920384383 SWCYXMJLTBMWFP-UHFFFAOYSA-N 296.349 3.622 30 20 CHED C[C@H]1CCC[C@H](CC(=O)OCc2ccc(C#N)cc2F)C1 750242238 QAGQCAKQJRSHAH-STQMWFEESA-N 289.350 3.957 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)ccn2)C1(CC)CC 755906447 NBABMKZUBSCASQ-AWEZNQCLSA-N 275.396 3.773 30 20 CHED C=CC[C@H]1CCCC[C@H]1NC[C@@H](O)c1ccc(F)cc1 850465377 BXSRYGYIWIUXHQ-IAOVAPTHSA-N 277.383 3.584 30 20 CHED CC(C)(C)CCC(=O)OCc1cc(F)ccc1C#N 759360673 CDQGVOMPNAVZHP-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCc2ccc(C)cc21 684893481 HJTUBQKRIHVKER-ZBFHGGJFSA-N 272.392 3.636 30 20 CHED COc1cccc2c1C/C(=C/c1ccsc1)C2=O 759663330 CCQIMQBEZQQPBC-XFFZJAGNSA-N 256.326 3.579 30 20 CHED C#CCCCCNC(=O)NCc1cc2ccccc2s1 758723599 YBXQCAQTODBEAD-UHFFFAOYSA-N 286.400 3.504 30 20 CHED CCCCCCCCCN1CC[C@@H](C)[S@@](=O)CC1 759871148 UKEZITGIJYBHJC-QAPCUYQASA-N 273.486 3.580 30 20 CHED C[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)C 754271336 VXBCDMPSEXIIFL-JTQLQIEISA-N 278.783 3.624 30 20 CHED C[C@H](CC(C)(C)C#N)NC1(Cc2ccc(F)cc2)CC1 926531945 JFYZFEDJVBODRT-CYBMUJFWSA-N 274.383 3.819 30 20 CHED C[C@H]1C[C@@H]1C=NNCc1ccc(Cl)cc1Cl 758373678 ZHXGOLXKTQGMMP-WCBMZHEXSA-N 257.164 3.725 30 20 CHED C=CCCONC(=O)C(C)(C)Cc1cccc(Cl)c1 856033132 YVRDTCBSNWLCNP-UHFFFAOYSA-N 281.783 3.533 30 20 CHED CC(C)n1ccnc1C=NN1CCC(C(C)(C)C)CC1 853337564 MGDJYZGRJFXGBO-UHFFFAOYSA-N 276.428 3.556 30 20 CHED C=CCCOC(=O)/C=C(\C)c1ccccc1OC(F)F 753395550 JLRFNZIFECYNIY-ZHACJKMWSA-N 282.286 3.811 30 20 CHED CCCCCCC=NNc1nncc2ccccc12 755490697 IBFBXNAXBBIOCZ-UHFFFAOYSA-N 256.353 3.998 30 20 CHED CCCCCCCCCNC(=O)NC1CC(F)(F)C1 758287186 WBTIMNMRAQOWCO-UHFFFAOYSA-N 276.371 3.834 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)c1 752176276 MJXVGPIIINEMQZ-QGZVFWFLSA-N 294.329 3.786 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)/C=C3/CC[C@H](C)C3)[nH]c12 753811369 ULSHXUQQXMGVMM-NGXJWPQESA-N 293.370 3.794 30 20 CHED C=CCC[C@H](OC(=O)Cc1c[nH]c2ccccc12)C1CC1 752570065 BPXGPJFNKBKYKT-KRWDZBQOSA-N 283.371 3.998 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1ccc(O)cc1 934705552 AXVOBESVZKJXQK-CZUORRHYSA-N 273.376 3.658 30 20 CHED CCOc1ccc(C=Nc2ccc3c(c2)CCCO3)c(O)c1 750950677 ZCQJKJLPKXOLCX-UHFFFAOYSA-N 297.354 3.867 30 20 CHED Cc1ccc(NN=Cc2cnc([C@@H]3CCCO3)s2)cc1 755465985 RUGZXSYPMYGMNR-AWEZNQCLSA-N 287.388 3.749 30 20 CHED C=CCCCOC(=O)C[C@@H](C)c1cccc(OC)c1 753409359 OORYFJZPUWGLSO-CYBMUJFWSA-N 262.349 3.698 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1c(F)cccc1Cl 751911432 UNHBBDOIGLTHPJ-SECBINFHSA-N 286.803 3.580 30 20 CHED CC#CCOC(=O)c1cc(-c2ccccn2)ccc1Cl 755000282 WNHMOISVJCGJHS-UHFFFAOYSA-N 285.730 3.582 30 20 CHED C=CCC1(NC(=O)Nc2cnn(C3CCC3)c2)CCCC1 934305099 YSZQOCVFWYGCQF-UHFFFAOYSA-N 288.395 3.619 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](c2ccccc2OC)C1 933284460 IEMIWNKCUUPSDW-LSDHHAIUSA-N 287.403 3.613 30 20 CHED CCCCCCCCN1C(=O)[C@@H](C)N(C2CCC2)C1=O 760924394 GKIQYPFRUNOOIB-CYBMUJFWSA-N 280.412 3.552 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H]2COc3ccc(C)cc32)c1 763097019 MTFSWITYDXKLPW-WSLMLHKMSA-N 297.354 3.652 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCC(F)(F)C1 935830720 XTDYAQPDLTYGRK-NWDGAFQWSA-N 259.340 3.530 30 20 CHED Cc1cc(Cl)ccc1COC(=O)Cc1ccc(C#N)cc1 769092194 AAKIDPUARMWKFJ-UHFFFAOYSA-N 299.757 3.806 30 20 CHED COc1ccsc1C(C)=NNc1cc(F)cc(F)c1 769780562 RKLSIDNIBXCAAK-UHFFFAOYSA-N 282.315 3.871 30 20 CHED C#Cc1ccc(-c2nc(CCC3CCCCC3)no2)nc1 761755846 PUCUKXHAWQZBFN-UHFFFAOYSA-N 281.359 3.626 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)OCC2(C#N)CCC2)CC1 768096466 JAPJFNHLQPNGCE-HDJSIYSDSA-N 263.381 3.686 30 20 CHED Cc1occc1C(=O)OCc1ccccc1C(C)(C)C#N 767999791 XVMVFTGGESLMJC-UHFFFAOYSA-N 283.327 3.746 30 20 CHED C#CCCc1noc(C2(c3ccc(OC)cc3)CCCC2)n1 762009626 WHFXIKMVXDECNR-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=CCC1(c2nnc([C@@H]3CCCCO3)o2)CCCC1 1118435535 RCBBIQPMXCLWOO-LBPRGKRZSA-N 262.353 3.699 30 20 CHED Cc1ccc(C)c(NC(=S)NN=C[C@@H](C)CCC#N)c1 765992610 DGLOEUAMGYZIQZ-LBPRGKRZSA-N 288.420 3.516 30 20 CHED CC(CC1CC1)=NNc1nc2ccccc2[nH]c1=S 863128225 IHOXZRWQKVTJMC-UHFFFAOYSA-N 272.377 3.880 30 20 CHED Cc1cc(F)ccc1CNc1ccc(F)c(C#N)c1 51636136 YJLCWWPVVQVNNZ-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCC/C=C/C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767979188 CIGZZNNXOSLVKI-SNAWJCMRSA-N 280.371 3.530 30 20 CHED Cc1cc2cc(C=NNCC(F)(F)F)oc2cc1C 769825295 POBBYUFMYPJVQM-UHFFFAOYSA-N 270.254 3.535 30 20 CHED C#CCCCCC(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 773298149 CNWLLASHTXTEDS-LJQANCHMSA-N 297.442 3.970 30 20 CHED CC1(C)Cc2cccc(/C=C/C(=O)c3cscn3)c2O1 776192705 SJXVPOOJCLZYFV-VOTSOKGWSA-N 285.368 3.753 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cccc(COC)c1 776190823 ZEOWAMHBNVXBGO-BQYQJAHWSA-N 281.355 3.687 30 20 CHED C#C[C@@H](C)NC(=O)c1cccc(F)c1Sc1ccccc1 775380919 BWYBCZVKCXLQPQ-GFCCVEGCSA-N 299.370 3.728 30 20 CHED C#CCCCCCC(=O)N(CC)Cc1ccc(C)cc1 779815498 AYMMVCIMPXZXED-UHFFFAOYSA-N 271.404 3.927 30 20 CHED CCC/C(C)=C/C(=O)Nc1cc(C#N)c(F)cc1F 876346967 YFUHNNPDEUALFS-WEVVVXLNSA-N 264.275 3.521 30 20 CHED CC(C)Oc1ccc(C=NOCCC(F)(F)F)cc1 777462735 JYWNCYASFBXEEG-UHFFFAOYSA-N 275.270 3.777 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccc3c(c2)CCC3)nn1 1116146019 TWCKHACXQVAWIC-UHFFFAOYSA-N 294.402 3.709 30 20 CHED Fc1ccc(-c2n[nH]cc2C=NOC2CCCC2)cc1 774596331 CNTREAKURFUSKZ-UHFFFAOYSA-N 273.311 3.509 30 20 CHED C#CCOc1cc(F)ccc1NC1CC(OC(C)(C)C)C1 779159517 LJPBXYOCJFXJOY-UHFFFAOYSA-N 291.366 3.596 30 20 CHED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H](O)c1ccccc1 872133218 NUTSZLFNNMALAL-JVPBZIDWSA-N 294.398 3.721 30 20 CHED Cc1cc(/C=C\C(=O)c2sccc2O)ccc1C#N 773150199 PFVPSBNUKVMNOT-HYXAFXHYSA-N 269.325 3.530 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(Cl)c(Cl)c1 1116642911 DNDNDOVLAHYLJZ-ONGXEEELSA-N 274.191 3.845 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCc2ccc(F)cc21 776192296 IVRVAIPRBLUGEK-LCYFTJDESA-N 297.285 3.946 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCOCC1 774806735 RAXYNMSWAPTKLV-OAHLLOKOSA-N 269.429 3.622 30 20 CHED CC(C)c1nccnc1NN=C1C2CC3CC(C2)CC1C3 773078833 PCOGAJFCNAFWAP-UHFFFAOYSA-N 284.407 3.824 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 1129072289 YFBOASRTIQMGIB-VXGBXAGGSA-N 298.386 3.772 30 20 CHED C(=NOC1CCCC1)c1ccccc1OCc1cccnc1 774608472 NQPRSIYSTDUUJM-UHFFFAOYSA-N 296.370 3.954 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C(C)=C(\C)CC 779867873 OKRYCFOKEICWBU-VAWYXSNFSA-N 272.348 3.642 30 20 CHED CCc1ccc(C(=O)/C=C/c2cn3cc(C)ccc3n2)o1 789145107 YUEZFJFXXULUQK-FNORWQNLSA-N 280.327 3.694 30 20 CHED Cc1cccc(C)c1OCCCOC(=O)CC(C)(C)C#N 785077770 JUROQZMUMGSTNQ-UHFFFAOYSA-N 289.375 3.555 30 20 CHED CC(=O)Nc1ccc(C(C)=NNc2ccc(F)cc2C)cc1 781596342 FCIGRVUDDYIYPX-UHFFFAOYSA-N 299.349 3.929 30 20 CHED CCc1oc2ccccc2c1/C=C\C(=O)c1cc(C)nn1C 789156023 HXNCLYYMKCQZRY-KTKRTIGZSA-N 294.354 3.933 30 20 CHED C(=NNc1nnc(-c2ccccn2)s1)C1CCCCC1 788027823 RDOUMUGMSYGACA-UHFFFAOYSA-N 287.392 3.578 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1cc(F)c(F)cc1F 784220780 OGNIQBMXOALLQQ-UHFFFAOYSA-N 299.292 3.520 30 20 CHED CC(=NN=C1CC[C@@](C)(c2ccccc2)C1)c1cnccn1 780227398 JERHBVCSAKLTQJ-GOSISDBHSA-N 292.386 3.783 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C/c1ccccc1F 782347795 NRNMAESEKMWHNV-CMDGGOBGSA-N 275.323 3.712 30 20 CHED C=CCN(C(=O)NCc1cccc(CSC)c1)C(C)C 783014713 KLCAQDHNNRIHNE-UHFFFAOYSA-N 292.448 3.656 30 20 CHED CCCCC(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 891938005 HTDSRUUCHPJDTE-UHFFFAOYSA-N 293.370 3.677 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(SC(F)F)cc1 791200346 SQAQYACXJIYYQA-LLVKDONJSA-N 283.343 3.533 30 20 CHED C/C=C\c1ccc(OC(=O)c2cc(C#N)oc2C)c(OC)c1 797941384 QEOZKAHYYZLCDY-PLNGDYQASA-N 297.310 3.721 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)o1 794246481 LHRPJGBJAYHMGL-TZMCWYRMSA-N 288.391 3.734 30 20 CHED CN(C)c1ccccc1CNN=Cc1cc(Cl)cs1 794952807 WJJHAYXNAOYHTD-UHFFFAOYSA-N 293.823 3.591 30 20 CHED Cc1cc(C#N)ccc1CN1CCS[C@H]2CCCC[C@@H]21 186254679 CSXPQWWUVNVPDY-IRXDYDNUSA-N 286.444 3.727 30 20 CHED C#CCCCNc1cnn(-c2ccccc2C)c1CC 790317433 CBZXLWFNRJKPBZ-UHFFFAOYSA-N 267.376 3.568 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(C(=O)N(C)C)cc1 792871700 JDVKDJWWROKHQH-UHFFFAOYSA-N 295.386 3.533 30 20 CHED CC(C)C[C@H]1CCCC(=NNc2ccc(C(=O)O)cn2)C1 794526028 LNNLPWZTXDCZQU-GFCCVEGCSA-N 289.379 3.784 30 20 CHED Cc1ccc(-c2noc(-c3ccccc3OCC#N)n2)cc1 794659994 ANNCGHBJVSOIKJ-UHFFFAOYSA-N 291.310 3.614 30 20 CHED C#C[C@H](NC(=O)c1cccc(-c2csc(C)n2)c1)C(C)C 799048765 VFUJLZMLKCYCSD-HNNXBMFYSA-N 298.411 3.506 30 20 CHED CC(=NNc1ccccc1Br)c1cc(C)on1 790291641 YWZTZZSPZKPVGO-UHFFFAOYSA-N 294.152 3.582 30 20 CHED CC[C@H](C)CON=Cc1ccc(O)c(Br)c1 793143835 AGOJYBNUUHQSAT-VIFPVBQESA-N 286.169 3.551 30 20 CHED CCOC(CON=Cc1ccc(C(C)(C)C)cc1)OCC 792731999 WZYSFULBFCROQE-UHFFFAOYSA-N 293.407 3.734 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](CC)c1ccc(Cl)s1 791067984 MUPQBLFMYBYDAA-WDEREUQCSA-N 298.839 3.954 30 20 CHED CCCCCCCN[C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C 792891096 YSHTWIAGSDMWFN-RRFJBIMHSA-N 269.429 3.524 30 20 CHED CCCCCCCCCNC(=O)NC[C@@H]1CCSC1 790543479 UEGTWUQDSUDUPS-AWEZNQCLSA-N 286.485 3.789 30 20 CHED CC[C@@H](C)NN=Cc1ccc(-c2c(F)cccc2F)o1 790184099 XSPOCQMXZZKPDY-SNVBAGLBSA-N 278.302 3.947 30 20 CHED CSCCON=C(C)CCc1ccc(C)cc1 794574152 XRZUUALPQOOTEZ-UHFFFAOYSA-N 251.395 3.683 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1c[nH]c2cc(F)ccc12 794934290 IQGZZTHLSLUFAJ-GQCTYLIASA-N 297.333 3.981 30 20 CHED COc1cc(/C=C2/Cc3c(C)cccc3C2=O)ccc1C#N 799497171 JOUQLCKWMPGRJH-NVNXTCNLSA-N 289.334 3.698 30 20 CHED C#CCN(Cc1ccc(F)c(F)c1)C1CCCCC1 744212529 FWWNMVDMPVMCTN-UHFFFAOYSA-N 263.331 3.733 30 20 CHED CCCCCCCN1CCO[C@@H](c2ccco2)C1 753847833 ZBYCVQKYOVDTLS-OAHLLOKOSA-N 251.370 3.623 30 20 CHED C#C[C@H](C)N(C)Cc1nc2ccccc2c(C)c1Cl 769962309 WTCHPUBQICTFDB-NSHDSACASA-N 272.779 3.650 30 20 CHED COc1cc(Cl)ccc1NCc1ccc(C#N)s1 775344821 KHGZCCULGUURKC-UHFFFAOYSA-N 278.764 3.894 30 20 CHED CSc1ccccc1C(=O)N(C)c1ccc(C#N)cc1 92213092 KKVRBTOVZFPQCR-UHFFFAOYSA-N 282.368 3.557 30 20 CHED Cc1cc(N2CCC[C@@H]2C2CCCCC2)ncc1C#N 1306935806 HHBKYOXFDNBEFD-MRXNPFEDSA-N 269.392 3.811 30 20 CHED C[C@H](CNc1ncc(C#N)cc1F)Sc1ccccc1 1162652858 WLUFVWYJEGUYJF-LLVKDONJSA-N 287.363 3.685 30 20 CHED Cc1cc(Oc2cccc3c2CCCC3)c(C#N)cn1 1639559208 ZNKMVSVQLHKSKS-UHFFFAOYSA-N 264.328 3.933 30 20 CHED C=CC[C@H](NC1CCC2(CCCO2)CC1)c1ccncc1 1326198885 KCWPCCVQLYCBAG-ADKAHSJRSA-N 286.419 3.780 30 20 CHED C[C@H](Cc1ccsc1)Nc1c(C#N)cccc1C#N 1320930266 JBTGTRQVKYWUPK-LLVKDONJSA-N 267.357 3.535 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1253249122 VQMZEPYDEQUDKG-HOCLYGCPSA-N 297.402 3.911 30 20 CHED Cc1nc(C(=O)N(C)C[C@@H](C)C2CCCCC2)ccc1C#N 1329190650 GQRVMHKDSDDTEJ-CYBMUJFWSA-N 299.418 3.550 30 20 CHED C[C@H](C(=O)Nc1ccccc1C#N)c1ccc(F)cc1F 1252105384 PAJAVHAEAJFKSY-JTQLQIEISA-N 286.281 3.579 30 20 CHED CCc1nc(C#N)cc(SCC2CCCCC2)n1 1651434183 PFGNDNMNPXLAJN-UHFFFAOYSA-N 261.394 3.583 30 20 CHED CCC1(CC)CCC(Nc2cc(C#N)nc(C)n2)CC1 1651809828 YUGHAAKPPWQMQZ-UHFFFAOYSA-N 272.396 3.818 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)c1cc(F)ccc1OC 1332963006 DTRRESHLGXMPJN-VXGBXAGGSA-N 279.355 3.614 30 20 CHED Cc1cc(C=NNc2ccc(C)c(Cl)c2)sn1 1338725091 ZSQPBRBOPNAWED-UHFFFAOYSA-N 265.769 3.859 30 20 CHED Fc1ccc(CNN=Cc2ccsc2Cl)cc1 1343542013 ARSPYXOFWOUXAX-UHFFFAOYSA-N 268.744 3.664 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1nccn1C 1342268551 NSPRYHCQKRDZHW-HUUCEWRRSA-N 287.407 3.593 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1csc(C#N)c1 1261262545 BDJMZFPICXWWIK-NSHDSACASA-N 276.405 3.661 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2csc(C#N)c2)cc1 1344048149 VZTNJRTWLYPFRK-LBPRGKRZSA-N 284.384 3.761 30 20 CHED C=C(C)CCC(=O)N(c1ccccn1)C1CCCC1 1340581330 WUJLHDNMWGDKNS-UHFFFAOYSA-N 258.365 3.714 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(C3CCCCC3)CC2)n1 1274131090 QVLHJGVPKMNOJC-UHFFFAOYSA-N 283.375 3.561 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc(C(C)(C)C)c2)n1 1274131116 RVXIFDRZGPDLNV-UHFFFAOYSA-N 293.370 3.812 30 20 CHED Cc1ccc(CC(=O)Nc2ccc(CC#N)cc2)cc1Cl 1353515263 QMZBLTROOOOIOY-UHFFFAOYSA-N 298.773 3.896 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)[C@H]2CCSc3ccccc32)C1 1524712093 PVWGKUCUDDSSDO-BZPMIXESSA-N 287.384 3.501 30 20 CHED Cc1cc(NC(=O)C[C@H]2CCCCC2(C)C)ncc1C#N 1461218133 QLYQEOCZVUDSIZ-CQSZACIVSA-N 285.391 3.807 30 20 CHED COc1ccc(CNCc2cccc3ccoc23)cc1C#N 1461708934 UTFGQLILYQWAQU-UHFFFAOYSA-N 292.338 3.603 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)c(Cl)c(C(=O)O)c1 1602815993 HTPKERUBVKKBJY-MRVPVSSYSA-N 299.729 3.718 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccccc1Oc1ccccc1 1539942020 KHCIXPWFTOCLKV-AWEZNQCLSA-N 294.354 3.853 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1cccc(OC(F)F)c1 1536086914 SAYOGXZXEZUVIJ-BONVTDFDSA-N 297.301 3.832 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 1472302055 ZCOJLOQADDTQBV-LLVKDONJSA-N 291.310 3.593 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCCC[C@H](C)C1 1705747750 UBTJLELEDCNMNP-LBPRGKRZSA-N 296.846 3.780 30 20 CHED CN(Cc1cccc(C#N)c1)CC(C)(C)Oc1ccccc1 1621210622 YQZSOVKPAVSJRC-UHFFFAOYSA-N 294.398 3.848 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC 1633875596 JIUISGOQQRWCPO-UONOGXRCSA-N 285.391 3.755 30 20 CHED CC(C)CN(CCc1ccccc1)c1ccnc(C#N)c1 1639682043 LIQNUSASKDOSNT-UHFFFAOYSA-N 279.387 3.658 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(F)c(Br)c1 119317274 LGRRFZFQVJXKOX-IUCAKERBSA-N 272.161 3.813 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCCC2(C)C)c1 1562939862 YJYWDEWNDHRTEV-CQSZACIVSA-N 285.391 3.815 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2sccc2C#N)C1 1563023852 NYUBKYJZSFRYGM-WCQYABFASA-N 291.420 3.956 30 20 CHED CC(C)C[C@@H](C)CN1CCN([C@@H](C#N)c2ccccc2)CC1 1644837552 LOFMJXVZPQXEGH-MJGOQNOKSA-N 299.462 3.551 30 20 CHED CC(C)(C)[C@H](Sc1cccc(Cl)c1C#N)C(=O)O 1589722856 ONVWWAFYCKNRTA-LLVKDONJSA-N 283.780 3.803 30 20 CHED C=C(C)C[C@H](Nc1nc2c(C)cc(C)cc2s1)C(=O)O 1588555158 ZXMSSWCFYYNFCK-NSHDSACASA-N 290.388 3.744 30 20 CHED N#CCOc1cc(F)ccc1NCc1ccc2[nH]ccc2c1 1664226253 YGONNQZTEMWLJE-UHFFFAOYSA-N 295.317 3.821 30 20 CHED CC(C)C(CNC(=O)Nc1sccc1C#N)C(C)C 1672812216 CLAWEMYHDRLSJB-UHFFFAOYSA-N 279.409 3.669 30 20 CHED C=CCCCCCN1CCc2cc(C(=O)O)sc2C1 1776174436 ZBXRSVOVHPSDSP-UHFFFAOYSA-N 279.405 3.551 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1ccccc1C(=O)O 1776032628 FLIRMQUKKWQYGS-UHFFFAOYSA-N 288.734 3.874 30 20 CHED O=C(O)c1cc(NN=Cc2ccc3occc3c2)ccc1F 1776062953 SZPHNNVGYGTIIG-UHFFFAOYSA-N 298.273 3.716 30 20 CHED N#Cc1cccc(C(=O)OCc2cccc(Cl)c2)c1 5013758 GFKACPVOMBDGTH-UHFFFAOYSA-N 271.703 3.569 30 20 CHED N#Cc1cccc(CNc2ccccc2Br)c1 19922588 JRXSFCRQKYHZCO-UHFFFAOYSA-N 287.160 3.933 30 20 CHED C#CCCCCNC(=O)Nc1cccc(Cl)c1Cl 150743632 WJOVUAHLVMCIRP-UHFFFAOYSA-N 285.174 3.918 30 20 CHED C=CCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 161539666 NATPFOXDBMBPFZ-IAGOWNOFSA-N 265.356 3.588 30 20 CHED C#CCCCCNC(=O)Nc1cccc(-c2nc(C)co2)c1 158105456 DMRIVDWNZMJXFE-UHFFFAOYSA-N 297.358 3.575 30 20 CHED COc1cccc2c1CC/C(=C/c1cccs1)C2=O 165478446 NROKRUIJVFZDEI-KHPPLWFESA-N 270.353 3.969 30 20 CHED CCn1cc(C(=O)/C=C/c2cc(Cl)ccc2F)cn1 152643783 WWKMDUQZDYZGEC-ZZXKWVIFSA-N 278.714 3.592 30 20 CHED Cc1ccc(F)cc1NC(=O)c1ccc(C#N)c(Cl)c1 153546186 XESMZCXWLIOEQO-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(C)cc2O)cc1 156710170 XIQGXKVCRBTUST-UXBLZVDNSA-N 295.338 3.555 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 154958371 COOBINSKDBORQG-OAGGEKHMSA-N 296.455 3.698 30 20 CHED CN(Cc1cccc2ccccc12)CC1(C#N)CC1 258885526 JLXOFPDJIXQESN-UHFFFAOYSA-N 250.345 3.575 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)cc1 31089019 HEXJRIHZNDHFHD-UKRRQHHQSA-N 271.364 3.649 30 20 CHED C[C@@H]1CC[C@@H](C)N(c2nc(C(C)(C)C)ccc2C#N)C1 1306980349 WXTKLLNEVBWKPB-CHWSQXEVSA-N 271.408 3.876 30 20 CHED Cc1cc(C(=O)N(C)c2ccccc2C#N)ccc1Cl 135431869 BZIVRTAQDGOJAQ-UHFFFAOYSA-N 284.746 3.797 30 20 CHED Cc1ccc(F)cc1CNc1cc(C#N)ccc1C 129777377 VTDSMXPVPSDZMY-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1cc(C#N)ccc1F 25436307 SMNWUGQHOOLDBD-NSHDSACASA-N 286.375 3.878 30 20 CHED C[C@@H](NCCSC(C)(C)C)c1ccc(OCC#N)cc1 271859864 KBKRDLHTQOEECV-CYBMUJFWSA-N 292.448 3.771 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCc2ccc(F)cc21 301401533 QKBVURKBIPXINW-MRXNPFEDSA-N 270.282 3.936 30 20 CHED CC(=O)c1ccc(C#N)cc1N1CC[C@@H](C)C[C@H](C)C1 302160139 XYIFRQVLKCHOCY-OLZOCXBDSA-N 270.376 3.633 30 20 CHED N#CCCCCN1CCc2cc(Br)ccc2C1 192258076 JENBPGCEITXFMC-UHFFFAOYSA-N 293.208 3.501 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(OCC#N)cc1 308086776 JRIPLPBKXQYURK-CYBMUJFWSA-N 274.364 3.600 30 20 CHED C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 692879868 UXHWALSRYUJSBT-CKEIUWERSA-N 261.409 3.511 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1ccccc1C(F)(F)F 384134422 DCGIUPXBAJRFPN-ZDUSSCGKSA-N 284.281 3.629 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc2ccccc2o1 804835972 MVQOJFRPXUJZKC-UHFFFAOYSA-N 289.334 3.708 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)nc(Cl)c1 785857932 OZHWEFORVDNKBU-JTQLQIEISA-N 285.174 3.569 30 20 CHED COc1ccc(C#N)cc1NC(=O)N[C@H](C)CCC(C)C 50092482 WIQLCOJARFTMDB-GFCCVEGCSA-N 289.379 3.513 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc(C)o2)c1 59269966 PPYDJMHSAQTUHS-CMDGGOBGSA-N 256.301 3.883 30 20 CHED C=CCCCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 175604066 HBIXNRCYLZNNJL-INIZCTEOSA-N 285.391 3.733 30 20 CHED C=C[C@@H](CC(=O)N(C)C[C@@H](C)CC)c1ccccc1 179387824 MRZMRDGLRRGEOS-GJZGRUSLSA-N 259.393 3.851 30 20 CHED C#CCOc1cccc(NC(=O)N(C)[C@@H](C)c2ccco2)c1 108519938 KOVBTFYESOVXND-ZDUSSCGKSA-N 298.342 3.517 30 20 CHED C#CCCCCC(=O)Nc1cccc(COCC2CC2)c1 119727426 FNZSGYMPHFGUNG-UHFFFAOYSA-N 285.387 3.745 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1CC1CCCCC1 174094746 RZJCHRSJYIZLMG-INIZCTEOSA-N 276.424 3.544 30 20 CHED CCn1cc(Cl)cc1C(=O)O[C@@H](C)CC(C)(C)C#N 1346708752 CYBCEAQRZKAUSM-JTQLQIEISA-N 282.771 3.647 30 20 CHED N#Cc1ccc(CNc2nc(-c3ccccc3)ns2)cc1 301545956 DSBCNZJYGPWZDN-UHFFFAOYSA-N 292.367 3.689 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc2ccccc2c1 176784288 GJWSYHIBABXQCH-HNNXBMFYSA-N 253.301 3.545 30 20 CHED C[C@@H]1SCCN(CCCCC#N)[C@H]1c1ccccc1 118423006 QVKZAMWDTYYYHF-GOEBONIOSA-N 274.433 3.859 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)cc(C)c1O 170851895 NOOYCXPWVNDWLS-HWKANZROSA-N 286.302 3.750 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 177141327 CLTQYPLDXGUKQT-KRWDZBQOSA-N 299.418 3.526 30 20 CHED C=CCCCSCC(=O)N(C)[C@@H](C)c1ccccc1 117944864 AEIMXYQGWCIHLX-AWEZNQCLSA-N 277.433 3.905 30 20 CHED CCCCCCCCCN1CCSC[C@@H]1CC(=O)O 117627160 LSRVNYPMYZGPHO-AWEZNQCLSA-N 287.469 3.629 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@H]1C[C@@H]1C1CC1 177275538 IKNXBSKWANRKLD-OLZOCXBDSA-N 286.400 3.677 30 20 CHED CO[C@@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 175808546 WYABXSXRXARDGY-SUMWQHHRSA-N 295.338 3.550 30 20 CHED CCC(CC)CN(CCC#N)Cc1nc(C)c(C)s1 176388384 BZYUKSDJZVPLBJ-UHFFFAOYSA-N 279.453 3.912 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 183052305 UXDUTNSZALJJHG-QRTARXTBSA-N 297.402 3.909 30 20 CHED CC(=O)c1cccc(OCc2cn3ccccc3c2C#N)c1 78532835 NNQGHEMHWNNUQR-UHFFFAOYSA-N 290.322 3.593 30 20 CHED N#Cc1ccc(NCc2ncccc2F)cc1C(F)(F)F 127646790 ZFOGBYUMUDLLFR-UHFFFAOYSA-N 295.239 3.723 30 20 CHED Cc1cc(C)nc(NCc2ccc(N(C)CCC#N)cc2)c1 122313559 NHYLCHXCXWTFHA-UHFFFAOYSA-N 294.402 3.660 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)CCC(C)(C)C 78088163 HVCLZOVXLOMSGT-UHFFFAOYSA-N 274.364 3.722 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(F)cc1N(C)C 180950490 KWXLGSUATPHWLW-VXGBXAGGSA-N 250.361 3.507 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 180947925 KJUWTJAQUJRBTK-STQMWFEESA-N 287.382 3.935 30 20 CHED Cc1ccc([C@@H](NCC(C)(C)CC#N)C2CCC2)o1 414161275 FCEAYYJSJUVADV-HNNXBMFYSA-N 260.381 3.959 30 20 CHED COc1ccc(CN(C)CCC(C)(C)C#N)cc1Cl 412049028 XNNWGZAHPQQELT-UHFFFAOYSA-N 280.799 3.720 30 20 CHED N#CCC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 184309660 OBWAMGBRKJFSLH-UHFFFAOYSA-N 286.718 3.984 30 20 CHED C[C@H](NC[C@H]1[C@H]2Cc3ccccc3[C@H]12)c1cccc(C#N)c1 182027338 YCPNWPCVOUMQSG-XVVDYKMHSA-N 288.394 3.795 30 20 CHED N#CCCCCSCc1ccc([N+](=O)[O-])cc1 182902275 GMZBFEDHAFLYAI-UHFFFAOYSA-N 250.323 3.522 30 20 CHED C[C@@H]1O[C@H](C)C[C@H]1CNc1ccc(C(F)(F)F)cc1C#N 413543162 XNIDCTSUBPYJKY-SCVCMEIPSA-N 298.308 3.802 30 20 CHED N#CCCCCSCc1cc(O)nc(-c2ccccc2)n1 419611389 ZDPMVXDOAFRTKP-UHFFFAOYSA-N 299.399 3.776 30 20 CHED CC(C)(C)c1noc(CSCc2ccccc2C#N)n1 79329496 VGBANDRXOQJGEX-UHFFFAOYSA-N 287.388 3.672 30 20 CHED COC1CCC(N(C)Cc2ccc(C#N)cc2Cl)CC1 439455963 XCYHEIWEPIHDBT-UHFFFAOYSA-N 292.810 3.601 30 20 CHED Cc1cccc(CCNc2nc(Cl)c(C#N)s2)c1 235904493 ZLQTULSJMKMOBY-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C[C@@H](NC(=O)c1cccc(F)c1C#N)[C@H](C)c1ccccc1 188412417 VPQRSCPUUCIPDP-QWHCGFSZSA-N 296.345 3.619 30 20 CHED C#CCOc1ccccc1NC(=O)N(C1CCCC1)C1CC1 188055667 QLNILTTWZWJDKO-UHFFFAOYSA-N 298.386 3.638 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1OC 33387495 QTKUEXSSQYRHHA-UITAMQMPSA-N 286.302 3.739 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412379891 HFRQKPLNDFEXRI-LAVFITLUSA-N 296.414 3.604 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@H]1C 413834761 MLPLOGGESLDWJJ-BFYDXBDKSA-N 286.419 3.614 30 20 CHED CCOc1cccc(CNc2ccccc2O[C@@H](C)C#N)c1 181132124 DJACGIJAGXEPKA-AWEZNQCLSA-N 296.370 3.988 30 20 CHED CC(C)(CC#N)CN[C@@H]1CC(C)(C)Cc2occc21 414166353 NKGGUXJSRHVDTK-CYBMUJFWSA-N 260.381 3.823 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Oc2ccccc2)nc1 410122900 DPXDMPRMAGMWTF-OAHLLOKOSA-N 296.370 3.958 30 20 CHED C[C@H](C#N)CNCc1ccc(-c2cccc(F)c2)s1 183820111 ZTQIKIGNNVNQMI-LLVKDONJSA-N 274.364 3.803 30 20 CHED CC(C)(CCC#N)CN1CC[C@H](Oc2cccc(F)c2)C1 183208095 UOCJBEHMGNILPJ-INIZCTEOSA-N 290.382 3.609 30 20 CHED CC(C)c1nc(COc2ccccc2C#N)cs1 42255811 QEWWQHOKPIZZNV-UHFFFAOYSA-N 258.346 3.717 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@@H](C)CC(C)(C)C 42530498 FUYRSMHRKHYVGX-CYBMUJFWSA-N 252.402 3.599 30 20 CHED C=CCC1(C(=O)NCC(C)(C)c2cccnc2)CCCC1 412889322 CMUJJILDRSIDBR-UHFFFAOYSA-N 286.419 3.612 30 20 CHED CCOC1CC(CC/N=C(/O)N[C@@H]2CC[C@H](C)[C@H](C)C2)C1 329930386 OKBBMMYMAXFBCC-XAOLJHCVSA-N 296.455 3.520 30 20 CHED C=CCN(CC=C)Cc1ccc(OCCC)c(OC)c1 505858831 KZNCFWXSTPIFBD-UHFFFAOYSA-N 275.392 3.658 30 20 CHED C=CCN(CC=C)Cc1csc(Cc2ccccc2)n1 45914501 BRCVLVDOSVGIMB-UHFFFAOYSA-N 284.428 3.908 30 20 CHED C=CCC[C@H](NC[C@@H]1C[C@H](C)O[C@H]1C)c1ccco1 414258721 MCYLOHQMMAOMLY-AJNGGQMLSA-N 263.381 3.690 30 20 CHED CC(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 41557117 IFTYRXWBNUQVRN-VIFPVBQESA-N 291.301 3.654 30 20 CHED N#C[C@@H](C(=O)c1ccc(C2CCC2)cc1)c1ccccn1 192195798 TVVJUUXLYPTPEJ-MRXNPFEDSA-N 276.339 3.839 30 20 CHED Cc1cccc(C)c1CCNCC(C)(C)CCC#N 132691647 DIEHGFQZAZIAQN-UHFFFAOYSA-N 258.409 3.766 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 192300511 ZGGIBMWEKNGURS-ZETCQYMHSA-N 288.178 3.662 30 20 CHED COc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1Cl 193846433 WVDCWLDGXGRYOY-MNOVXSKESA-N 264.756 3.843 30 20 CHED CCc1ccc(CNc2nc(Cl)c(C#N)s2)s1 227832004 FUCLYBAMARGADB-UHFFFAOYSA-N 283.809 3.904 30 20 CHED C[C@H]1CC[C@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CC1 329865543 UHBSLKOBEOJROC-OBJOEFQTSA-N 274.364 3.541 30 20 CHED CCN(CC#Cc1ccc(Cl)cc1)CC(F)(F)F 427001143 ICBQQMXABKUUNU-UHFFFAOYSA-N 275.701 3.576 30 20 CHED O/C(CCc1ccoc1)=N/C[C@H]1CCO[C@@H]1c1ccccc1 328611068 KFYCVUDUQKFHLB-SJLPKXTDSA-N 299.370 3.947 30 20 CHED Cc1cccc(N/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 329631593 RNHQBTARCJHGBW-MELADBBJSA-N 273.380 3.685 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(-c2csc(C)n2)cc1 519742477 AHRFALXYLWOASM-MRXNPFEDSA-N 299.399 3.541 30 20 CHED Cc1cncc(C/N=C(/O)c2coc(C3CCCCC3)n2)c1 328733132 HONVOVLINQATJT-UHFFFAOYSA-N 299.374 3.931 30 20 CHED CC(C)(C#N)CNC(=O)N1CC[C@H](c2ccccc2)C1(C)C 422178303 JEEPUIVRFXXCED-OAHLLOKOSA-N 299.418 3.514 30 20 CHED Cc1csc2c(NCc3cc(C#N)ccc3F)ncnc12 192630182 YMCBZKIJHRTGNT-UHFFFAOYSA-N 298.346 3.623 30 20 CHED CC[C@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 41557156 UPIMAFCPKITYAH-VHSXEESVSA-N 291.301 3.654 30 20 CHED CC#CCCNC[C@@H](C)c1cccc(Br)c1 381242599 NNBVVRULVKGJEP-GFCCVEGCSA-N 280.209 3.556 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(C#N)c(F)c1 190355437 FSKANVLLDHHPBQ-UHFFFAOYSA-N 295.317 3.580 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 46550437 ZNWNNJARZDCCBV-GOSISDBHSA-N 275.351 3.727 30 20 CHED C#CCCCC(=O)N(C)CCc1cccc2ccccc12 192248564 PLERUAIJLUQETD-UHFFFAOYSA-N 279.383 3.644 30 20 CHED Cc1cnc(CSc2ccc(C#N)cc2Cl)cn1 335830109 IBDYHEAJHPNFFA-UHFFFAOYSA-N 275.764 3.602 30 20 CHED Cc1nc(N(C)[C@H](C)c2cccnc2)c(Cl)cc1C#N 292387421 DLUKAAJBGJYZEE-LLVKDONJSA-N 286.766 3.508 30 20 CHED N#CCC1(COc2ccc(F)cc2Br)CC1 88255538 XDSQMSRLTVHLNR-UHFFFAOYSA-N 284.128 3.661 30 20 CHED CC(C)C[C@@H]1C[C@H](/N=C(/O)C[C@@H]2CCC(=O)[C@H]2C)CCO1 330038306 ZUTZPERHBFBTPI-BYNSBNAKSA-N 295.423 3.542 30 20 CHED C=CCC[C@H](CC)N[C@H](CCCN)c1ccccc1 423503696 NATXLCSXRZLKSX-DLBZAZTESA-N 260.425 3.801 30 20 CHED Cc1cc(C)c2nc(NCc3cc(C#N)n(C)c3)sc2c1 191516529 JENGOODXNBPQNP-UHFFFAOYSA-N 296.399 3.735 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@](F)(c2ccccc2F)C1 424820158 LEIDPJHCHAVFOL-QGZVFWFLSA-N 293.357 3.825 30 20 CHED CCc1nnc(C)cc1/C(O)=N/[C@H](C)c1cc(C)oc1C 330810045 JIRNCULUOSGNSO-LLVKDONJSA-N 287.363 3.623 30 20 CHED CC(C)C[C@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 93338487 CRXODUFAHOUEQZ-DOTOQJQBSA-N 286.419 3.845 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(-c2cccs2)on1 428040714 LYHJEHOIVBPOHM-NSHDSACASA-N 288.372 3.584 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCC1(C#N)CCC1 332496609 VEVRCHUVPUHIDQ-KBPBESRZSA-N 291.439 3.536 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425128872 LDQFUXYEWFRNEE-RPVQJOFSSA-N 284.403 3.760 30 20 CHED N#Cc1cc(F)ccc1NCc1ccc(OC(F)F)cc1 96470521 ZTFLGFBHSQHJJU-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(-n2cccc2)c1 339962578 BXZMFFKXCSKQOV-SFHVURJKSA-N 295.386 3.535 30 20 CHED N#CCC1CCN(c2ccnc3c(F)cccc23)CC1 335873409 QBPHAQPUADAAPW-UHFFFAOYSA-N 269.323 3.504 30 20 CHED Cc1c(C#N)cccc1C(=O)N(Cc1cccs1)C(C)C 337746751 GSVRCPUQDMMEDO-UHFFFAOYSA-N 298.411 3.979 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCC(C)(C)C1 435735349 MEAZNRLZZXMSKN-KFWWJZLASA-N 251.414 3.526 30 20 CHED CCC(C#N)(CC)c1nc(-c2c[nH]c3ccccc23)no1 528170031 WIAWBBYXKHYGAB-UHFFFAOYSA-N 280.331 3.799 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(F)cc(Cl)c1 435732824 RWCYGRKZNIUVQG-DOMZBBRYSA-N 283.774 3.550 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(C(C)C)n1 343245215 FGEXNIXFOJQZDW-ZDUSSCGKSA-N 260.381 3.680 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(CC(C)C)cc1 435748917 HDSYKCWHMXSPBO-RBUKOAKNSA-N 287.447 3.956 30 20 CHED C=C(C)CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 247258559 VCMOBMHQEQTYLR-HUUCEWRRSA-N 279.449 3.992 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1c(C)oc2ccccc12 435741240 IHARGHYALWFEFX-KBXCAEBGSA-N 285.387 3.812 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1nccc2ccc(F)cc12 435598815 SVRGUQXOQSFNMA-XJKSGUPXSA-N 286.350 3.767 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(SCC#N)c1 430696715 BZMPUKPGJVXNGS-GXTWGEPZSA-N 288.416 3.563 30 20 CHED C=CCCC1(C(=O)Nc2nc3c(s2)CSCC3)CC1 341730326 CPYNFPHVBHFLSZ-UHFFFAOYSA-N 294.445 3.617 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCc2cc(F)ccc21 348197632 LSRAKOUQXCQEQY-OAHLLOKOSA-N 260.356 3.733 30 20 CHED CCC1=NN(c2ccc(C#N)c(Cl)c2)C(=O)[C@H]1C(C)C 601950503 VGONQBQMUOJXEI-AWEZNQCLSA-N 289.766 3.596 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccccc1C(C)(C)C 432735216 GAFIWRJZQMAVLX-UHFFFAOYSA-N 287.407 3.998 30 20 CHED Cc1cc(CNCc2cccc(C#N)c2)ccc1Cl 180790996 HJUUQWBSXDFYIG-UHFFFAOYSA-N 270.763 3.810 30 20 CHED C[C@H](CCC#N)CNc1cccc(NC(=O)c2ccoc2)c1 602489582 AIQFZWVJUGCIKU-CYBMUJFWSA-N 297.358 3.884 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1ccncc1F 340240648 UWFWQAMSYDGTCO-ZDUSSCGKSA-N 286.350 3.636 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 431861505 YGIKLNNQTWUZRQ-YDHLFZDLSA-N 268.360 3.632 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 342391704 YDZDZUFVFAWTDN-CYBMUJFWSA-N 294.395 3.580 30 20 CHED Cc1ccccc1C=NOCc1cccc(F)c1F 255134324 RWDNAEOBIBKCAE-UHFFFAOYSA-N 261.271 3.824 30 20 CHED C[C@H](CCC#N)CNc1cccc(C(=O)NC(C)(C)C)c1 602492954 USRLMWABRSMTSB-CYBMUJFWSA-N 287.407 3.567 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccccc1CC#N 601628017 LSXUWPPUTIVBRL-JKSUJKDBSA-N 284.403 3.697 30 20 CHED Cc1cc(CNc2ncccc2C(C)C)ccc1C#N 446973984 VWQUECHHMCUNIJ-UHFFFAOYSA-N 265.360 3.997 30 20 CHED C[C@H](C#N)CN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 527235485 SPIWEBRISOEBPD-IJLUTSLNSA-N 250.773 3.581 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(CC#N)cc1 448594296 LGVXQWJBVHNRDZ-BLLLJJGKSA-N 256.349 3.517 30 20 CHED CN(C)Cc1cc(NCc2ccc(C#N)cc2)ccc1Cl 341510045 ITZZCHQQRNCTII-UHFFFAOYSA-N 299.805 3.885 30 20 CHED CC[C@H](N[C@@H](CC)[C@H]1CCCO1)c1ccc(C#N)cc1 447590120 ZZXFZQSHKYABLP-YESZJQIVSA-N 272.392 3.557 30 20 CHED Oc1ccccc1/C=N\C1CCN(c2cccs2)CC1 255300476 IWCMSNTXXQUURQ-ATVHPVEESA-N 286.400 3.542 30 20 CHED N#Cc1ncccc1N[C@@H]1C[C@@H]1c1ccc(Cl)c(F)c1 357680691 MZRIFJJKNRCMDN-QMTHXVAHSA-N 287.725 3.714 30 20 CHED CC[C@@H](CC#N)NC1CCC(c2ccc(O)cc2)CC1 358284569 WYMHJJNRBNXQJP-SIWZUTFBSA-N 272.392 3.700 30 20 CHED COc1ccc([C@H](NCCCC#N)c2ccccc2)cc1 357624524 NPFGRWAACFDYJW-GOSISDBHSA-N 280.371 3.678 30 20 CHED COc1cc(CN(C)CCCc2ccccc2)ccc1C#N 442796756 GPEKFFVMODZHNS-UHFFFAOYSA-N 294.398 3.631 30 20 CHED CSc1ccc(Cl)c(C(=O)N[C@H](C#N)C(C)(C)C)c1 267231350 LCLJGTQFGIAJSG-GFCCVEGCSA-N 296.823 3.730 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)CCC2CCCCC2)C1 532323610 FXUXHERIZIWMDV-UUCFBXCCSA-N 276.424 3.791 30 20 CHED C=C(CC)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 536894286 RJPQVXDSSLUPMA-UHFFFAOYSA-N 260.337 3.525 30 20 CHED CC(C)[C@H](CN[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 442863309 XICSHQZIYGRHOB-OKZBNKHCSA-N 270.420 3.783 30 20 CHED CCSc1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)cc1 351028391 OOGWQPHVRGZZEB-LBPRGKRZSA-N 288.416 3.563 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 356121412 VYWSIRSRIHWEIX-BXUZGUMPSA-N 291.341 3.683 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccnc1Oc1ccccc1 618637611 RALSYWCWPCPPJU-UHFFFAOYSA-N 295.342 3.752 30 20 CHED C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@@](C)(C#N)C1 612157779 DAAGNENXHVRZST-LRDDRELGSA-N 294.345 3.975 30 20 CHED C=CCCCCCN(C)[C@H](C)c1ccc(C(=O)OC)o1 538150168 MNKVXYZFCZCJIY-CYBMUJFWSA-N 279.380 3.805 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1cc2ccccc2o1)C(C)C 539562498 BLYKYMQKXQRYTB-KBXCAEBGSA-N 287.403 3.904 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCc1cc(C#N)ccc1F 449970025 UDZQOSZHXYNONU-AWEZNQCLSA-N 290.382 3.776 30 20 CHED C[C@H]1CCCC[C@H]1CCNCc1ccc(C#N)s1 537300308 XGVVBERZNQDCIQ-STQMWFEESA-N 262.422 3.926 30 20 CHED C=C(CC)CN(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 539104239 PGBUGXXVKPNMIL-MJGOQNOKSA-N 286.463 3.938 30 20 CHED CC1(C#N)CCC(NCCCNc2cccc(F)c2)CC1 451151127 ALNIMTJYLMCYMY-UHFFFAOYSA-N 289.398 3.690 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@H](c2ccncc2)C1)C1CC1 453341747 IFGAONZNSRLYRM-SQNIBIBYSA-N 286.419 3.636 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCCC(F)(F)F 536121922 PLGJLTVTGHBZGT-UHFFFAOYSA-N 291.338 3.995 30 20 CHED COc1ccc(N/C(N)=N/CC[C@@H](C)c2ccccc2)cc1 264092908 LQDCKFUWUNIMDI-CQSZACIVSA-N 297.402 3.616 30 20 CHED CC[C@H](C)[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612367014 KONTWGYPUYUMFL-IEZWGBDMSA-N 298.430 3.969 30 20 CHED C[C@H](CNC(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 360458769 ZZXIFISNBSOUAY-LLVKDONJSA-N 298.308 3.619 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](CC)CSc1ccccc1 450338721 YWNBRTDHWRVAGQ-ZDUSSCGKSA-N 277.433 3.886 30 20 CHED N#CCCCC(=O)Nc1ccccc1-c1ccccc1 361280869 LGTYJEMQNQCHCD-UHFFFAOYSA-N 264.328 3.986 30 20 CHED CC(=O)c1ccc(C#N)c(NCCOC2CCCCC2)c1 273185820 HVRHMNHAPYJPCL-UHFFFAOYSA-N 286.375 3.522 30 20 CHED N#CCC1(CNc2ncnc3sc4c(c23)CCCC4)CC1 619527696 RZFSUYRFPDDKJP-UHFFFAOYSA-N 298.415 3.676 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 459020560 RZHKSUFFMHRFFX-AWEZNQCLSA-N 296.773 3.758 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 454552508 ORCPMFYUNYFDSB-CYBMUJFWSA-N 299.374 3.668 30 20 CHED Cc1cn(CCOc2ccc(C(F)(F)F)cc2)cc1C#N 610915476 GQTLDYJNPSBVDY-UHFFFAOYSA-N 294.276 3.766 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)CCCCC1 450385701 FNWWQKXLJVNXKK-HZPDHXFCSA-N 293.451 3.833 30 20 CHED C[C@H](NC(=O)C[C@@H]1CCC[C@H]1C)c1ccc(C#N)cc1 274405441 NORVWZGTMGBESQ-WWGRRREGSA-N 270.376 3.562 30 20 CHED C=CCC1(C(=O)N2CCC(CCCO)CC2)CCCCC1 450530597 DMESDMQNTHKLRP-UHFFFAOYSA-N 293.451 3.524 30 20 CHED C=CCCc1noc([C@H](c2ccccc2)C2CC2)n1 453225010 CTWVFNHYHJMFAS-OAHLLOKOSA-N 254.333 3.730 30 20 CHED N#CCc1ccc(-c2nc([C@H]3CCCCS3)no2)cc1 274138420 WOLLNJKOSJITSH-CYBMUJFWSA-N 285.372 3.761 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)CC1(C#N)CCC1 450272806 YRIATXLGLZAZDH-NSHDSACASA-N 264.319 3.651 30 20 CHED C[C@@H]1C[C@H](/N=C/c2c(O)ccc3ccccc23)CCO1 271241370 YVJNRLBLOWKRQV-TWRDMTQSSA-N 269.344 3.532 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 548618065 NIQGTULJJYSEIM-GHMZBOCLSA-N 278.783 3.766 30 20 CHED C=CCN(CCc1ccccc1)Cc1cnn(CC(C)C)c1 542152450 ZQSXGMIPFNAAPK-UHFFFAOYSA-N 297.446 3.770 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1sc(C)nc1C 455361755 FJOSCWUCEBKIQO-NSHDSACASA-N 295.452 3.675 30 20 CHED C=CCCOCCNC(=O)Nc1ccccc1C(C)(F)F 455777633 URZZWZDZYHPUPL-UHFFFAOYSA-N 298.333 3.513 30 20 CHED Cc1cnc(C2CCN(Cc3ccccc3C#N)CC2)s1 277287064 AJXIFCRCZIAJBT-UHFFFAOYSA-N 297.427 3.703 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](C)c1ccc(C)cc1 455310072 LTLVYVLBCUAWOP-CQSZACIVSA-N 260.381 3.664 30 20 CHED C=CCC[C@H](CO)N[C@@H](CCC)c1ccsc1 453359637 PAOSCFIVJWQWFG-KGLIPLIRSA-N 253.411 3.506 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnc([C@@H](C)OCC)s1 620858259 BMTFOARWJLASBQ-LLVKDONJSA-N 296.436 3.715 30 20 CHED Cc1ccc(C#N)c(N2CCC(n3c(C)ccc3C)CC2)n1 270880878 DQSZUGYQIRNWQU-UHFFFAOYSA-N 294.402 3.522 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 270279747 LUAWYWSMLWWQPJ-SFHVURJKSA-N 290.366 3.730 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCCCCC#N)C2)cc1 278386356 DGTGRZWDRWXESH-NVXWUHKLSA-N 299.418 3.576 30 20 CHED C=CCCCC(=O)Nc1ccccc1-c1ncc(C)[nH]1 371247978 SIKGZWOMDUZRHE-UHFFFAOYSA-N 269.348 3.680 30 20 CHED CC(C)(C#N)CCN1CCc2cc(Cl)ccc2C1 276876257 YXPUNALNHCHQEC-UHFFFAOYSA-N 262.784 3.638 30 20 CHED CCCCCCCCC(=O)N1CC[C@@](CO)(C(C)C)C1 378025722 MKTHKQIEVZAGRB-QGZVFWFLSA-N 283.456 3.604 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc2cccnc12 620863806 CQHYKPZJVIZBRA-UHFFFAOYSA-N 268.360 3.709 30 20 CHED C=CCC[C@H](NCc1occc1C(=O)OC)c1ccccc1 271745814 RBKKCVNRMUNMQK-INIZCTEOSA-N 299.370 3.863 30 20 CHED CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccncc1 271928943 HFSMWRUQUFSBEM-YVEFUNNKSA-N 283.350 3.894 30 20 CHED C=CCC(CC=C)C(=O)NCC(C)(C)CC(C)C 467365413 PTQIXRKQFPZLMS-UHFFFAOYSA-N 251.414 3.943 30 20 CHED C=CCCOCC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 621194853 VZCXHLLUVGZHDI-MRXNPFEDSA-N 287.403 3.508 30 20 CHED CSc1ccc([C@@H](C)NC(=O)CC(C)(C)C#N)cc1 281232294 KGJZFSVMEQBKPV-LLVKDONJSA-N 276.405 3.526 30 20 CHED C[C@@H](NC(=O)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 371699559 HXPPXBPHUODEDV-CYBMUJFWSA-N 290.366 3.812 30 20 CHED CC[C@H](NCc1ccc(C#N)cn1)c1ccc(Cl)cc1 554077064 MJAFMKKONQVQEN-INIZCTEOSA-N 285.778 3.848 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)CCC1CC1 555241025 QWELCMGKTWNSHX-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](c1nc(C)cs1)C1CC1 281940881 SFXIWBTZGIEYHS-QWHCGFSZSA-N 293.436 3.557 30 20 CHED CC(C)(C)c1cnc(SCC(=O)c2ccc(C#N)cc2)[nH]1 631028051 KAIZQXLLZPHOBQ-UHFFFAOYSA-N 299.399 3.554 30 20 CHED CC(C)CC[C@@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 461779181 URIKPBVRCWSWEF-KGLIPLIRSA-N 272.392 3.603 30 20 CHED N#CC1(CCCNc2ccccc2Cl)CCOCC1 280972738 HUYZSNOUSAQLRT-UHFFFAOYSA-N 278.783 3.852 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 465284132 IZWZHVXWRHWOMX-FZMZJTMJSA-N 278.371 3.787 30 20 CHED C=CCCN(C)C(=O)C(CC)(CC)c1ccccc1 467077812 CSZMGZQDXIYUEM-UHFFFAOYSA-N 259.393 3.779 30 20 CHED C=CCOc1ccc(CNC(=O)c2cc(C)cc(F)c2)cc1 557058960 MGVQXZYSNMAEGI-UHFFFAOYSA-N 299.345 3.629 30 20 CHED N#CCCCCN1CCCn2c(cc3ccccc32)C1 287352220 NCPLLDBHKPSWMV-UHFFFAOYSA-N 267.376 3.541 30 20 CHED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)C1CCC1 556706923 MIDXDRXQBVTOFI-GFCCVEGCSA-N 274.339 3.509 30 20 CHED C=C(C)COc1cccc(NCc2ccc(CO)cc2)c1 630058975 TWHGCCNULZFPCN-UHFFFAOYSA-N 283.371 3.746 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C#N)cc1Cl 281996948 QBHUDVRYEQDQJN-NSHDSACASA-N 277.755 3.688 30 20 CHED CC#CCCCC(=O)Nc1sc(C)c(CC)c1C#N 466867481 LXOOKLOPSFRVSN-UHFFFAOYSA-N 274.389 3.623 30 20 CHED C=CCCCC(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 286883521 IQDDTDBNSYGFNU-CQSZACIVSA-N 291.391 3.627 30 20 CHED CC[C@H]1CC[C@H]1NCCSCc1ccccc1C#N 554349564 WJALDPJIANBZGH-XJKSGUPXSA-N 274.433 3.570 30 20 CHED C=CC1CCN(C(=O)NCC2(c3ccccc3)CCC2)CC1 476408239 KNZCFLHTUUUHHG-UHFFFAOYSA-N 298.430 3.716 30 20 CHED C=CCCCCNC(=O)Nc1ccc(Cl)cc1 472134300 IQUHWDHNJVCIDC-UHFFFAOYSA-N 252.745 3.818 30 20 CHED COc1cc(C#N)ccc1CN1CC(C)(C)[C@@H]2CCC[C@@H]21 559431283 AZZLDTJWMDGIHT-CVEARBPZSA-N 284.403 3.577 30 20 CHED N#CC1(CCn2nccc2-c2cccnc2)CCCCC1 557240977 LWCFSXWRJKETMT-UHFFFAOYSA-N 280.375 3.809 30 20 CHED CC1(C)CCCC1=NNc1nccnc1C1CCC1 807991974 WTNPINMQAHTRLR-UHFFFAOYSA-N 258.369 3.722 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H]1Cc1ccccc1Cl 472754968 STKPEJVPRCZLAY-HZPDHXFCSA-N 293.838 3.674 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NCC2CCCC2)cc1 298498891 LRQFLYQYRDLYDC-UHFFFAOYSA-N 285.391 3.799 30 20 CHED C=CCCCCCCNC(=O)N[C@H](C1CC1)C(F)(F)F 807570509 SUDCDZLDRFYAEN-GFCCVEGCSA-N 292.345 3.763 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2scc(C)c2C#N)c1 565166950 VJIHQMSJVVZQGE-UHFFFAOYSA-N 299.399 3.901 30 20 CHED C#C[C@@H](NC(=O)CCc1c[nH]c2cc(C)ccc12)C(C)(C)C 807882172 WTTNCTXHVGZRAL-QGZVFWFLSA-N 296.414 3.573 30 20 CHED C=CCCCCCCNC(=O)c1ncc(C)cc1C 805219886 ZMAYWUOEAVEBOU-UHFFFAOYSA-N 260.381 3.565 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)C(C)C)CCCC1(C)C 470303711 RYGUMJGAKVZVAV-KBPBESRZSA-N 251.414 3.872 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(C)noc1-c1ccccc1 806415286 KEMZAMQCPGNLKF-AWEZNQCLSA-N 297.358 3.573 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCCc1ccccc1 292327569 RQYGHVHBSJGMFH-UHFFFAOYSA-N 259.393 3.680 30 20 CHED CC(C)[C@H](CN[C@H]1CC[C@H](C#N)C1)c1ccccc1 474936558 WWLNCKSHVCNKGG-XIRDDKMYSA-N 256.393 3.708 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)C1CCCCC1 564380343 XDTNZLSFOHJOON-ZDUSSCGKSA-N 276.428 3.747 30 20 CHED CCC(=O)c1cccc(C#N)c1Oc1cc(C2CC2)ncn1 641681158 ANXKLYNDFOCWSS-UHFFFAOYSA-N 293.326 3.611 30 20 CHED C#C[C@@H](NC(=O)C1=C(C)CCC1)c1ccc(Cl)cc1F 804418664 SRHUAOMNPUCPDC-OAHLLOKOSA-N 291.753 3.770 30 20 CHED C=C(C)CCc1noc([C@H]2CCc3ccc(OC)cc32)n1 566704355 DBWKQOGJWYVGST-AWEZNQCLSA-N 284.359 3.665 30 20 CHED C=CCCC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 294613688 KCXYYEJKOJWELV-CQSZACIVSA-N 295.835 3.999 30 20 CHED C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)c2nccn21 296662457 FIKJSRQWINHHLY-KBMXLJTQSA-N 280.375 3.524 30 20 CHED C=CCC(C)(C)C(=O)N1Cc2ccccc2C(C)(C)C1 292670629 FVHUJYDHFBPSQJ-UHFFFAOYSA-N 271.404 3.909 30 20 CHED C=CCCCCNC(=O)CC(C)(C)c1ccccc1 471693231 OHWFGTTWIWBFKX-UHFFFAOYSA-N 259.393 3.827 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccsc1 563554985 KNAFSELIPHPQBW-OAHLLOKOSA-N 297.383 3.819 30 20 CHED CC(=NNc1ccc(C#N)cc1)[C@@H](C)CCCCC(=O)O 814803166 MIUDQXKOYWDLDE-LBPRGKRZSA-N 287.363 3.627 30 20 CHED Fc1cccc(NN=C2Cc3[nH]c4ccccc4c3C2)c1 814815221 QNGQYEVUTUCORO-UHFFFAOYSA-N 279.318 3.874 30 20 CHED C#CCCCCCC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 817176402 PTNQYTWBUBXKEV-KRWDZBQOSA-N 284.403 3.575 30 20 CHED C[C@@H]1CCC[C@H](N2CCC(=NOC3CCC3)CC2)C1 812235793 QKXBQENECLFPCB-HIFRSBDPSA-N 264.413 3.586 30 20 CHED CCOc1ccc(NN=C(C)c2ccccc2)cc1 814984669 STYIMNQBVXVCQD-UHFFFAOYSA-N 254.333 3.921 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C)c(OC)c1C 488403463 ZCUHNTGGAQRZPP-UHFFFAOYSA-N 284.359 3.552 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(OC(F)F)cc1 815311346 HIHAUGYYWBWGPE-UHFFFAOYSA-N 292.228 3.543 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](SC)c1ccccc1 489943973 WSLXQNBOHPGQDF-AWEZNQCLSA-N 277.433 3.809 30 20 CHED Cc1cc(NN=C2CC[C@@H](Cc3ccccc3)C2)nc(C)n1 814807260 NALJTYUKKWTEHX-INIZCTEOSA-N 294.402 3.904 30 20 CHED C=CCCCCN1CC[C@@H](CN(CC)CC(F)(F)F)C1 566778505 OSMCDOMWQKPALC-AWEZNQCLSA-N 292.389 3.549 30 20 CHED C=C(C)CNC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 488540502 HLCVMDIDFLCCCX-UHFFFAOYSA-N 286.419 3.628 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)c1ccc(C#N)c(C)n1 488036499 RLHBXECEBYZTNX-QGZVFWFLSA-N 295.386 3.858 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)C1(c2ccccc2)CCCC1 481847976 QRSSGJHNVYNALE-WMZOPIPTSA-N 287.447 3.804 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccccc1C#N 814931007 BVXUVZSXTSPSRW-UHFFFAOYSA-N 294.314 3.611 30 20 CHED CC(C)c1cnc(C=NNc2cccc(C#N)c2)s1 814786352 FYBPXQUEBDPTOZ-UHFFFAOYSA-N 270.361 3.584 30 20 CHED C[C@@H](C#N)CNc1ccc2ccc(Br)cc2n1 811809828 XZHWGMQYDUYBBD-VIFPVBQESA-N 290.164 3.569 30 20 CHED CCCC(C#N)(CCC)NC(=O)C1(F)CCCCC1 813047110 LUIATHWZPOVBFQ-UHFFFAOYSA-N 268.376 3.638 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CC(C)(C)c1ccccc1 488878916 QVBSHHNXRDFYLK-MRXNPFEDSA-N 271.404 3.921 30 20 CHED Cc1nc(N2CC[C@H](c3c(F)cccc3F)C2)ccc1C#N 487730952 LLHABMZDONTJND-ZDUSSCGKSA-N 299.324 3.534 30 20 CHED C#CCCCC(=O)N(C(C)C)[C@H](C)c1ccsc1 817485637 NQYGFYNGQPPZMB-CYBMUJFWSA-N 263.406 3.850 30 20 CHED C=CCCCS(=O)(=O)N(C1CC1)[C@H](C)c1ccccc1 489890485 RDAQGADIBZBANU-CQSZACIVSA-N 293.432 3.508 30 20 CHED C=C[C@H]1CCCCN1c1nc(C(F)(F)F)cs1 486490058 RTABLUWCMKIWMV-QMMMGPOBSA-N 262.300 3.707 30 20 CHED COc1ccccc1[C@@H](C)NC1(c2cccc(C#N)c2)CC1 573006361 ADHJNUSZODHUEC-CQSZACIVSA-N 292.382 3.907 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N1CCC(CCC#N)CC1 570968443 ROJJQMZXQPAUEK-HZPDHXFCSA-N 276.424 3.745 30 20 CHED C[C@H](NCc1c(F)cc(F)cc1F)c1cccc(C#N)c1 815650261 NATNKDAKIYYQMQ-JTQLQIEISA-N 290.288 3.826 30 20 CHED Cc1ncccc1COC(=O)C[C@H](CC#N)c1ccccc1 810882288 JYUZXBBIQHGTLT-INIZCTEOSA-N 294.354 3.521 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2[C@@H]2CCCOC2)cc1Cl 575746320 UEYQHQVDYZZKNB-CZUORRHYSA-N 290.794 3.607 30 20 CHED COc1ccccc1C=NOCc1ccc(Cl)s1 727411232 CRFPSBBZKXQMKL-UHFFFAOYSA-N 281.764 3.961 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 488763080 FFEXQGPKRISSFH-GDBMZVCRSA-N 298.386 3.881 30 20 CHED CON=C(C)c1ccc(OCc2ccc(F)cc2)cc1 727684231 VWHDBZIBYIBFHT-UHFFFAOYSA-N 273.307 3.775 30 20 CHED C#CCCCN1CCC(c2nc3c(s2)CCCC3)CC1 823469196 RAFVJEISNRFJRR-UHFFFAOYSA-N 288.460 3.615 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](c2ccncc2)C1 572464376 UTHXRYKMUMUTKQ-KBXCAEBGSA-N 277.371 3.504 30 20 CHED Cc1cc(NCc2ccccc2OCC(C)C)cc(C#N)n1 579388346 OBNFBOCOEVTSKP-UHFFFAOYSA-N 295.386 3.909 30 20 CHED C(=NNc1cnc2ccccc2n1)c1cc2ccccc2o1 727255363 ALEXVQKYTCAOHJ-UHFFFAOYSA-N 288.310 3.822 30 20 CHED N#CCCCCOC(=O)Cc1c[nH]c2cc(Cl)ccc12 727907112 CUYYUKPUJPSARS-UHFFFAOYSA-N 290.750 3.601 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccccc1CC 490059652 NOXBCUSMENAMAL-UHFFFAOYSA-N 259.393 3.510 30 20 CHED CC/C(C)=C\C(=O)Nc1ccc(OC(C)C)c(C#N)c1 827442729 REEQGGYLEUQYDI-WQLSENKSSA-N 272.348 3.640 30 20 CHED N#CCCCCCC(=O)NC1(c2nccs2)CCCC1 588928078 FNRJSLINYAMHHS-UHFFFAOYSA-N 291.420 3.503 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(F)nc2)c(C)c1 588523599 DXEZXFMEAWWFNT-DAXSKMNVSA-N 255.292 3.734 30 20 CHED C=CCCN1CC=C(c2c[nH]c3ccccc23)CC1 739904755 SIIFCZWJULWCGV-UHFFFAOYSA-N 252.361 3.833 30 20 CHED C=C[C@H](CC(=O)Nc1cccc(OC)c1O)c1ccccc1 494121270 XEDUARGKDOMURN-CYBMUJFWSA-N 297.354 3.699 30 20 CHED N#CCCCCCC(=O)Nc1cc(F)c(F)c(F)c1 588159443 ZMMJPNWUONNFTH-UHFFFAOYSA-N 270.254 3.516 30 20 CHED CC(C)Oc1ccc(NCC2CC(F)(F)C2)cc1C#N 834567137 YMMSDUDPYIKBHV-UHFFFAOYSA-N 280.318 3.803 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1cc(C)n(C(C)C)n1 835268726 ITMGTUAQRPBWEX-CYBMUJFWSA-N 264.369 3.674 30 20 CHED C[C@H](C#N)Oc1ccccc1NC1CC2(CCC2)C1 839003965 CLNJKOLEGUEZHR-GFCCVEGCSA-N 256.349 3.722 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2nc(C)c(C)[nH]2)cc1 901437695 JZAFRVPTYFYZHP-MDZDMXLPSA-N 284.359 3.711 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@]12CCC[C@@H]1C2 667028787 FQZDFZYQEWWNAJ-RHSMWYFYSA-N 270.376 3.869 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1(F)CCCC1 839890556 JKIJDXZBTWQNQK-OAHLLOKOSA-N 275.367 3.572 30 20 CHED CCC(CC)NN=Cc1ccc(N2CCCCC2)s1 734365340 WRJPPZJFOLLVSU-UHFFFAOYSA-N 279.453 3.851 30 20 CHED N#CCCCCCC(=O)N[C@@H](CCC#N)c1ccccc1 588654225 KKRMZFWDEMUWJH-INIZCTEOSA-N 283.375 3.622 30 20 CHED CC(=NNc1ncccn1)c1ccc(SC(F)F)cc1 734978284 BKZWCTACVSEKSD-UHFFFAOYSA-N 294.330 3.627 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1F)c1cccnc1 588542534 CGEKECSTVJTHPI-XQRVVYSFSA-N 261.683 3.770 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cc(C)cc(F)c2)no1 903639790 CWRYHKKSJLLMJD-KBPBESRZSA-N 288.322 3.633 30 20 CHED C=CCC(C)(C)c1nc([C@H](OCC)C(C)C)no1 904124671 DJMJZUMNNXVPRL-LLVKDONJSA-N 252.358 3.657 30 20 CHED CC(C)(C#N)CN[C@H]1CCCOc2cc3c(cc21)CCC3 903100786 XRZJXOZLPDSARK-INIZCTEOSA-N 284.403 3.528 30 20 CHED C=C[C@@H](OC(=O)[C@H]1CC12CCSCC2)C(C)(C)C 835392075 VXDFCNVNXPAAQD-VXGBXAGGSA-N 268.422 3.664 30 20 CHED CS[C@@H]1CCCC(=NNc2nccnc2C(C)C)C1 901232427 ZWUZMMKMUNZLQI-GFCCVEGCSA-N 278.425 3.674 30 20 CHED CCOc1ccc(-c2nc(CN[C@H](CC)CC#N)co2)cc1 584477886 AFUBJGKTEXXERJ-CQSZACIVSA-N 299.374 3.522 30 20 CHED CC[C@H](NC(=O)C#CC(C)(C)C)c1cccc(Cl)c1 837334525 MCBXWGRQUBZAFW-AWEZNQCLSA-N 277.795 3.957 30 20 CHED CCCCCCCC(=O)NCCCN1CCCC[C@@H]1C 915265151 AJBDQEMQRZIPFZ-INIZCTEOSA-N 282.472 3.728 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)CC(C)(C)C#N)cc1 837069314 NXYZYBHGUUFVMN-UHFFFAOYSA-N 272.392 3.924 30 20 CHED C#CCCOc1ccc(CNCCc2ccc(C)cc2)cc1 734847473 KMKGYSSUTCEWBM-UHFFFAOYSA-N 293.410 3.729 30 20 CHED CCCCCCCC(=O)N[C@@H](C)Cc1ccco1 914743629 XGQRNQOAMDYJNL-ZDUSSCGKSA-N 251.370 3.687 30 20 CHED N#CC1(CCN2CC[C@@H](c3cccnc3)C2)CCCCC1 592139264 RCAUGSGCFKYRBX-QGZVFWFLSA-N 283.419 3.735 30 20 CHED C=CC(C)(C)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 837866132 XLBYHBSMBPBCQA-UHFFFAOYSA-N 290.403 3.527 30 20 CHED N#CC1(CC(=O)Nc2cccc(F)c2)CCCCC1 596619912 KWUJGQJYLJNYGK-UHFFFAOYSA-N 260.312 3.628 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1c(C)cncc1C 675452784 PPJQMZBLDRVURJ-UHFFFAOYSA-N 286.419 3.907 30 20 CHED Cc1cccc(CSC[C@H](O)CC(C)(C)C#N)c1 598705465 KCMMOASVOZMWSD-CQSZACIVSA-N 263.406 3.529 30 20 CHED C=C(C)CNC(=S)NCc1c(Cl)cccc1Cl 745669978 TVDVTEPGXZCKKB-UHFFFAOYSA-N 289.231 3.534 30 20 CHED CCc1ccccc1NN=Cc1ccc(F)cc1F 915051815 TXAXLCCCYJGQFJ-UHFFFAOYSA-N 260.287 3.973 30 20 CHED CCCC[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)C(C)C 598657897 HHAHFKVZCCOSRV-QGZVFWFLSA-N 286.419 3.979 30 20 CHED C#CCN(Cc1cc2cnccc2o1)C1CCCCC1 845904596 FWWUWPVCVMPPBX-UHFFFAOYSA-N 268.360 3.596 30 20 CHED COc1cccc(NN=C/C=C/c2ccc(F)cc2)c1 747751152 ICRQKFRUEDEPJL-ZRSOARAGSA-N 270.307 3.945 30 20 CHED COc1cccc(O)c1C=Nc1ccc(C)c(OC)c1C 914701782 PVHBUALNAXWAIP-UHFFFAOYSA-N 285.343 3.777 30 20 CHED C=CCCNC(=O)[C@H](SCc1ccccc1)C(C)C 597972634 UJHRCJYBDFIZMV-OAHLLOKOSA-N 277.433 3.637 30 20 CHED CCOc1ccccc1C=NOCCCOc1ccccc1 745471388 KHHBNRMUEBQXHV-UHFFFAOYSA-N 299.370 3.905 30 20 CHED C=CCCCC(=O)OCc1cccc2cccnc12 748240285 PBLCYNWYBVAERH-UHFFFAOYSA-N 255.317 3.634 30 20 CHED C#CCCc1noc(-c2cccc(C(C)(C)C)c2)n1 848606702 HQIIYIMPQPCQQG-UHFFFAOYSA-N 254.333 3.600 30 20 CHED C=C[C@H](C)ONC(=O)N(CC(C)(C)C)CC(C)(C)C 845624767 QJEAJSYRCPFBPJ-LBPRGKRZSA-N 270.417 3.596 30 20 CHED C#CCOc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 742379150 RWSLEQAGLBODCP-RCCFBDPRSA-N 283.415 3.757 30 20 CHED C=CCN(CCc1ccccc1)C[C@H](O)c1cccc(F)c1 744211425 NINXKKOAAVHPKY-IBGZPJMESA-N 299.389 3.590 30 20 CHED CC(CCCCC#N)=NNCc1ccc(Cl)cc1 841629404 TYHQHEDCMHEHES-UHFFFAOYSA-N 263.772 3.889 30 20 CHED CCC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 593990143 DBKYXFXIDBXEBN-YJBOKZPZSA-N 298.430 3.776 30 20 CHED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(C)(C)C#N 917647106 RTMNETZZVGUEGY-UHFFFAOYSA-N 298.308 3.604 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 593514111 PIKJPXWPILYAJS-NSHDSACASA-N 284.281 3.670 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)[C@@H]1CCOC1 741961092 ANTHFIPARKPCBE-HUUCEWRRSA-N 269.429 3.668 30 20 CHED CCn1c(C)cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1C 749062302 MOAYYUFBDATOHM-AWEZNQCLSA-N 296.370 3.915 30 20 CHED Cc1ccc([C@@H]2C[C@H]2NC(=O)CC2(C#N)CCCCC2)cc1 597799151 SGTGGSSUGRUISY-DLBZAZTESA-N 296.414 3.831 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(O)c(C)c1 743450909 UCIRYGPFKKEFTK-UHFFFAOYSA-N 275.739 3.585 30 20 CHED CC[C@H](c1ccncc1)N(C)CCc1ccc(C#N)cc1 595401381 ZYLMIHIJJLPTCG-GOSISDBHSA-N 279.387 3.579 30 20 CHED C[C@@H](CN1CCC[C@H](CC#N)C1)c1cc(F)cc(F)c1 597176686 JGYBAHUCIOKDET-QWHCGFSZSA-N 278.346 3.694 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1cn(C)nc1C 746577587 HDCFIIUXYAPMGT-UHFFFAOYSA-N 296.296 3.583 30 20 CHED C=CCOc1ccc(CN2C[C@H]3[C@H](C2)C3(F)F)cc1Cl 846111640 MPKKFQGIRZHMQX-RYUDHWBXSA-N 299.748 3.602 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 594043764 ONCWLBHNTJXVOK-ZRGWGRIASA-N 298.430 3.822 30 20 CHED N#C[C@H](C(=O)C1[C@@H]2CCCC[C@@H]12)c1nc(C2CC2)cs1 842940860 KJRRHWSEKGGNDG-IJLUTSLNSA-N 286.400 3.633 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1cc2cc(F)ccc2o1 741842818 IEKRPCVQQODUCD-WAYWQWQTSA-N 298.317 3.818 30 20 CHED C=CCC[C@H](OC(=O)c1ccc2cnccc2n1)C1CC1 842325903 WQOOIMWLBYHEGS-INIZCTEOSA-N 282.343 3.531 30 20 CHED C#CCCOc1ccc(NC(=O)OC(C)C)cc1Cl 844771417 SYBXZCCTYGBRRG-UHFFFAOYSA-N 281.739 3.699 30 20 CHED C/C(=C\C(=O)Nc1ccc(F)cc1C#N)C(C)(C)C 751295309 YKSVNDCLKYEZGQ-JXMROGBWSA-N 260.312 3.628 30 20 CHED C=C(C)CN(C)Cc1ccc(OCc2ccccc2)cc1O 753569895 JVFVUFTXVFZUEI-UHFFFAOYSA-N 297.398 3.979 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N[C@H](C#N)C(C)(C)C)cc1C 754392705 SHPWEUNRJLVQCY-XITLMJRVSA-N 284.403 3.680 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2ccc(C#N)[nH]2)cc1 752503091 YYLFQOIIFGFJEA-NVXWUHKLSA-N 294.354 3.688 30 20 CHED C=CCOc1cccc(CN[C@H](c2ccccn2)C2CC2)c1 922584620 DNHOGKXXGAPVPV-IBGZPJMESA-N 294.398 3.887 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1ccnc(O)c1 926590842 GVIWLMQFUQTRCY-RHSMWYFYSA-N 282.387 3.625 30 20 CHED Oc1cccc(Cl)c1C=NNc1ncccc1Cl 755654092 FYCZKYGIHPBOEE-UHFFFAOYSA-N 282.130 3.540 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C\c1ccsc1 851213504 HOTNSQQZYPVUOC-WYGGZMRJSA-N 263.362 3.633 30 20 CHED C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(OCC#N)cc1 840874686 AZZUIPJKOVUOAG-APHBMKBZSA-N 276.355 3.520 30 20 CHED C#CC1CCC(=NNc2nnc(-c3ccccc3)s2)CC1 853351698 QPCYDJWPROQJIS-UHFFFAOYSA-N 296.399 3.796 30 20 CHED COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)C#CC(C)C 854418185 LYCKNYIERXAABU-DOTOQJQBSA-N 299.414 3.654 30 20 CHED CC(CCc1cccc(C)c1)=NNc1ccc([N+](=O)[O-])cn1 920373549 DQXJXBNPYWWJIZ-UHFFFAOYSA-N 298.346 3.719 30 20 CHED Cc1cccc(C(=O)O[C@@H](C)CC(C)(C)C#N)c1C 851213639 SGGZJZQUPWBLDD-LBPRGKRZSA-N 259.349 3.789 30 20 CHED C#CC[C@H](NC(=O)Nc1cccc(C#C)c1)c1ccccc1 757761394 MAEZVANORALUFV-SFHVURJKSA-N 288.350 3.554 30 20 CHED Cc1cc(C)cc(CC(=O)OCC(C)(C)CCC#N)c1 853122338 OEDSJKLMKYMCIJ-UHFFFAOYSA-N 273.376 3.719 30 20 CHED C#CC[C@@H](NC(=O)N1CCCC[C@H]1CC)c1ccccc1 757768944 RUWTZJIUVRGJBI-IAGOWNOFSA-N 284.403 3.725 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H](CC)c1ccncc1 933246751 CLWBFQZNXQSHRH-ZFWWWQNUSA-N 260.381 3.593 30 20 CHED CC(C)C[C@]1(CO)CCCN1CCCCC1(C#N)CCC1 930257193 ZSXJRVYJSRHCCY-SFHVURJKSA-N 292.467 3.724 30 20 CHED CCc1ccc(COC(=O)c2cc(C#N)cs2)cc1 752588602 WZXRXIZSJGLGHA-UHFFFAOYSA-N 271.341 3.539 30 20 CHED Cc1ccc(COC(=O)c2cccc(CC#N)c2)cc1C 758414834 IBOWDEROKKJVHT-UHFFFAOYSA-N 279.339 3.727 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 863254430 GVRHKWTUDZRKCS-HIFRSBDPSA-N 284.403 3.788 30 20 CHED C#CCN(C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 763800019 HYTKJIQBDWDPTE-SNVBAGLBSA-N 296.197 3.721 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1nc(C2CC2)cs1 767116757 HZYWOJSWKUEYKG-SNVBAGLBSA-N 277.389 3.674 30 20 CHED C(=NNc1ccccc1)c1cnc(C2CCC2)s1 760218910 SHSUAAMAAKPJDQ-UHFFFAOYSA-N 257.362 3.857 30 20 CHED C#C[C@H](C)N(C)C(=O)c1c(Cl)ccc(Cl)c1Cl 767254528 MUWUVJIGONJAHT-ZETCQYMHSA-N 290.577 3.741 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)ccc1C#N 766491386 OCOQXWWRINYCPK-VZUCSPMQSA-N 290.366 3.829 30 20 CHED CC[C@@H](/N=C\c1cc(Cl)ccc1O)C(=O)OC(C)(C)C 763098393 WRNZHEABALTJND-AXIYWZQUSA-N 297.782 3.585 30 20 CHED N#Cc1cccc(NN=C(Cc2ccccc2)C(F)F)c1 769569493 HUEXTUYGCDPVPC-UHFFFAOYSA-N 285.297 3.834 30 20 CHED CCCn1cc(/C=C2/C(=O)c3ccccc3[C@H]2C(C)C)nn1 865224059 ONFIRUBHPZMWTH-BRVCPTFNSA-N 295.386 3.708 30 20 CHED C#CCSCCN[C@H]1C[C@@H](c2ccccc2)C1(C)C 766328730 GDZNGGSXMVEUQE-HOTGVXAUSA-N 273.445 3.525 30 20 CHED C#CCCCCc1nc(Cc2cc(C)ccc2C)no1 761571344 WGJWQIKYYLEHQI-UHFFFAOYSA-N 268.360 3.623 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2ccccc2C)cc1 767731435 YZJMSUSAALSWQJ-VAWYXSNFSA-N 280.323 3.678 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1csc(C#N)c1 1118004772 WUUFCESIBRYJLZ-STQMWFEESA-N 276.405 3.564 30 20 CHED COc1ccsc1C(=O)/C=C\c1cccc(OCC#N)c1 769744018 CONPVZDGZHBIHV-WAYWQWQTSA-N 299.351 3.555 30 20 CHED CC(=NOCC(F)(F)F)c1ccc(F)c(Cl)c1 764841507 UGCAODQFNXNASO-UHFFFAOYSA-N 269.625 3.782 30 20 CHED Cc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)oc1C 768168325 BIKQBNYWXVSYQY-GFCCVEGCSA-N 269.300 3.686 30 20 CHED C[C@H]1CCC[C@H](C=NNc2nnc(-c3ccccc3)n2C)C1 768359981 IKAXGOCUWZXKKC-KBPBESRZSA-N 297.406 3.706 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2ccccc2)cc1 1116640580 UAZPQTUAHKMLNO-GOSISDBHSA-N 267.372 3.644 30 20 CHED N#Cc1nc(F)ccc1OCc1ccccc1C1CC1 1118326919 ZCEOAYXCVLFJMP-UHFFFAOYSA-N 268.291 3.549 30 20 CHED N#Cc1cccc(COC(=O)c2ccccc2Cl)c1F 774888423 WUSATAUBRYIVST-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@@H]1CCCCO1 776734239 PUMUXIJTCNUHSE-ZDUSSCGKSA-N 292.400 3.691 30 20 CHED C#CC[C@@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1 775399513 RYHCIAPWDCKXIV-QWHCGFSZSA-N 268.187 3.534 30 20 CHED C=C(CC)COC(=O)CCc1cc(Cl)cs1 773514361 KZLAPPCGMGQJAG-UHFFFAOYSA-N 258.770 3.844 30 20 CHED Cc1ccc(C=NOCc2nc(C)sc2C)cc1 1116365274 GZMMUJAFMNJYOO-UHFFFAOYSA-N 260.362 3.619 30 20 CHED C1CCC(ON=C2CCC3(CCOCC3)CC2)C1 774597051 NWUWCWVZRKCJGN-UHFFFAOYSA-N 251.370 3.672 30 20 CHED C[C@H](CCC#N)CN(Cc1ccc(N(C)C)cc1)C1CC1 876570711 MDPQCYZPBWDSSJ-OAHLLOKOSA-N 285.435 3.657 30 20 CHED C#CCNC(=O)c1ccc(Sc2ccccc2C)cc1 773051145 TXAGJORGORRTLK-UHFFFAOYSA-N 281.380 3.509 30 20 CHED N#Cc1csc(/C=C2/CCc3ccc(F)cc3C2=O)c1 776192943 NGOHRPKSTQGHHS-SDQBBNPISA-N 283.327 3.971 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1cccc(CC#N)c1 1127768378 ZZDQJOFTOFLQES-DVOMOZLQSA-N 271.360 3.734 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C)CC)cc1 774577978 NCVIJTUYGANZNZ-ZDUSSCGKSA-N 289.375 3.681 30 20 CHED N#CC1(C(=O)OCCCc2cccc(F)c2)CCCCC1 778783276 LTTJRLVORSVINB-UHFFFAOYSA-N 289.350 3.776 30 20 CHED CO[C@@H]1CCC[C@H]1C/N=C/c1c(O)ccc2ccccc12 774543531 XDKHMWANOCOLBN-PWQPLGCDSA-N 283.371 3.779 30 20 CHED C[C@H]1CC[C@@H](C(=O)O[C@@H](C)c2cccc(C#N)c2)C1 1127021418 ALBYRYXTHGGRHA-SLEUVZQESA-N 257.333 3.599 30 20 CHED Cc1cc(C)c(COC(=O)CC(C)(C)C#N)c(C)c1 785091022 OBBDYHGVUALGTN-UHFFFAOYSA-N 259.349 3.595 30 20 CHED CC(C)(C#N)CCCOC(=O)C1(c2ccccc2F)CC1 783731817 YPQIYBLGZSJYJG-UHFFFAOYSA-N 289.350 3.730 30 20 CHED C#CCCCC(=O)O[C@@H](c1cccs1)[C@@H](C#N)CC 1123105258 DHRWURGLESVIBC-IUODEOHRSA-N 275.373 3.686 30 20 CHED N#Cc1ccc(COC(=O)c2ccc(Cl)o2)c(Cl)c1 784201442 VBPDYRVGMVFESA-UHFFFAOYSA-N 296.109 3.815 30 20 CHED O=C1/C(=C\c2ccc3cnccc3c2)Oc2ccccc21 782341862 MGROMLOIZIAZPY-LICLKQGHSA-N 273.291 3.851 30 20 CHED CC[C@H]1CCN(c2c(Br)cccc2C#N)[C@@H]1C 1458334746 YGJKNCSYMYAJMP-MNOVXSKESA-N 293.208 3.946 30 20 CHED C[C@H](C=NN[C@H]1CCOC(C)(C)C1)CCc1ccccc1 780249789 DNFBTTHHNPCFKQ-RDJZCZTQSA-N 288.435 3.788 30 20 CHED C=CCC(C)(C)c1noc(-c2cncnc2C(C)C)n1 896328156 KVVFQTPCVWQAJT-UHFFFAOYSA-N 272.352 3.504 30 20 CHED CSCCON=C(C)c1ccc(-c2ccncc2)cc1 794572227 MEZXGDMJAZNPAV-UHFFFAOYSA-N 286.400 3.852 30 20 CHED Cc1cccnc1NN=Cc1c(C)oc2ccccc12 790189546 APLMAKOOMFTIHD-UHFFFAOYSA-N 265.316 3.891 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1ccnc(F)c1 794720449 ROOKDHAVMZYHII-PLNGDYQASA-N 293.244 3.718 30 20 CHED C=CCCCC(=O)OCc1ccc(Cl)cc1OC 795535356 MDEARCHGCUVVBD-UHFFFAOYSA-N 268.740 3.748 30 20 CHED N#CCCCCNC(=O)c1c(Cl)cc(F)cc1Cl 277242133 LVVOICKQKUIUCO-UHFFFAOYSA-N 289.137 3.556 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1ccnn1-c1ccccc1 798371147 IKTCETBTOFSPKB-FLIBITNWSA-N 292.313 3.908 30 20 CHED C=CCN(Cc1cc(-c2ccco2)on1)C(C)(C)C 661755753 QWSFMQLEDYEYHB-UHFFFAOYSA-N 260.337 3.721 30 20 CHED CC(C)c1ccc(NC(=O)Nc2cccc(C#N)n2)cc1 1202916559 UDRJMMRBWMHYHE-UHFFFAOYSA-N 280.331 3.721 30 20 CHED CCCc1sc(C(=O)N2CCC(C#N)CC2)cc1CC 61585322 VVNWYAYCMXZDQR-UHFFFAOYSA-N 290.432 3.639 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](C)c1cccc(F)c1 797885031 HDUQCVSNYGGNFB-SECBINFHSA-N 273.263 3.517 30 20 CHED Cc1ccc(CN(C)CCCCC(C)(C)C#N)nc1 590754508 FGHHMWUETOWKEQ-UHFFFAOYSA-N 259.397 3.542 30 20 CHED C#CCCN[C@@H](CCOC)c1ccc(Cl)c(Cl)c1 792924516 ISJMNFMEHQMXMK-AWEZNQCLSA-N 286.202 3.684 30 20 CHED Cc1ccc([C@H](C)NCCCC2(C#N)CCOCC2)s1 799165783 OBHROJDHKADALD-AWEZNQCLSA-N 292.448 3.808 30 20 CHED C#CCSc1ccc(COC(=O)C(C)(C)C(F)F)cc1 791731288 LXZYZXDQEZCZIH-UHFFFAOYSA-N 298.354 3.746 30 20 CHED C/C(C=NNc1ncccc1C)=C\c1cccc([N+](=O)[O-])c1 790190161 GCIPWVXMBSUTFT-KRGWXWIPSA-N 296.330 3.799 30 20 CHED CC(=NNc1cccc(F)c1)c1ccnn1-c1ccccc1 799109808 KDIWVKWZFKVBKI-UHFFFAOYSA-N 294.333 3.848 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])CCC1 791788902 QNFCYDOVMXEDRL-GFCCVEGCSA-N 289.331 3.945 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798968901 KWIZGNHSBKAGJV-VIFPVBQESA-N 291.700 3.678 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1cc(C(=O)O)cs1 692188964 CXBXMPIBSIMMAU-FZMZJTMJSA-N 279.405 3.671 30 20 CHED Cc1nc(C#N)cc(NC[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 1162352285 YGYSOGMKSNFZHP-ZFWWWQNUSA-N 286.423 3.921 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCC[C@H](C(C)C)C2)n1 1162461113 SGAARDNEFKLKET-QWHCGFSZSA-N 272.396 3.537 30 20 CHED C[C@H]1CCN(c2c(Br)cccc2C#N)C[C@H]1C 1651652258 SMOYKXBMQAIGIV-WDEREUQCSA-N 293.208 3.803 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC(C2CC2)C2CC2)c1 1322453806 ZYDNLHZTUYUWQI-UHFFFAOYSA-N 281.399 3.847 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)OCC1(CC#N)CC1 1327424710 UJHFMRROWJKQPI-ZDUSSCGKSA-N 263.381 3.830 30 20 CHED CC#CCCN=[S@](=O)(c1ccc(F)cc1)C(F)(F)F 1328041385 MOPSLLGEUZSUJZ-IBGZPJMESA-N 293.285 3.586 30 20 CHED CCC1(CC)CCN(c2ncc(Cl)c(C)c2C#N)C1 1185685793 UKIWWPCVURDJGD-UHFFFAOYSA-N 277.799 3.932 30 20 CHED C(=NNc1cnnc2ccccc12)c1ccc2c(c1)CCC2 1252256548 OHKIBIDAISZKSL-UHFFFAOYSA-N 288.354 3.565 30 20 CHED COc1cc(CN2CCCCc3sccc32)ccc1C#N 1183620538 UEKKCUWSYOBFJC-UHFFFAOYSA-N 298.411 3.971 30 20 CHED CC1CC(C#N)(C(=O)O[C@@H](C)c2ccc(Cl)cc2)C1 1333213187 WMHWCZJUFTVBIS-VTWZXRTESA-N 277.751 3.884 30 20 CHED C=C(C)CCC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 1336423255 IBVSZZWXMOINKA-UHFFFAOYSA-N 280.755 3.593 30 20 CHED N#CC1(CN[C@H]2CCCc3c(Cl)cccc32)CC1 1262160496 HHKBDTIJMPEKRL-AWEZNQCLSA-N 260.768 3.611 30 20 CHED C=C(C)CCC(=O)Nc1c(C)cc(N(C)C)cc1C 1336974710 UXKWCSKYUZMTLR-UHFFFAOYSA-N 260.381 3.664 30 20 CHED C[C@H](C(=O)OCCc1ccc(C#N)cc1)c1ccsc1 1261585362 XKPLSSYZWDFJGD-LBPRGKRZSA-N 285.368 3.509 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1cccc(F)n1 1344035476 NHRCEKDGNACDIU-JHJVBQTASA-N 274.339 3.613 30 20 CHED COc1cccc([C@H](C)C(=O)O[C@H](CC#N)c2ccco2)c1 1346720506 TUMHZHODQYWDNV-BLLLJJGKSA-N 299.326 3.590 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C(=O)CC)cc1 1347522811 RQKQXDBUNWJUGW-INIZCTEOSA-N 285.387 3.850 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(OC)cc1F 1350144657 QCWBYTOHCSVQMC-LBPRGKRZSA-N 292.354 3.797 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1c1ccc(C#N)cn1 1458635491 UVLFOSRFGFQQSP-RHSMWYFYSA-N 277.371 3.726 30 20 CHED N#Cc1cc(=N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cc[nH]1 1458440172 WCOYPHAYKJNDKX-DZGCQCFKSA-N 297.789 3.777 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1csc(C#N)c1 1458353217 BJRLIUGGKQSLIL-AWEZNQCLSA-N 276.405 3.661 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1c(F)cccc1Cl 1528653980 JNKWRRCQPVRJSU-UHFFFAOYSA-N 278.670 3.505 30 20 CHED C=CCOc1cccc(/C=C/c2ccc(C(=O)O)cn2)c1 1609460313 PAXUSTIACWECNP-SOFGYWHQSA-N 281.311 3.515 30 20 CHED N#CCc1ccc(NC(=O)c2ccc3ccncc3c2)cc1 1531330080 PYVWJFWLJRQPRL-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CCN(C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)C#N 1533560739 QLVRKQGGGOORJF-QJPTWQEYSA-N 290.329 3.506 30 20 CHED CC[C@@H](c1ccccc1)N1CCN(C[C@@H](C)CCC#N)CC1 1461853776 SJAKQCJSDLQQGP-HKUYNNGSSA-N 299.462 3.695 30 20 CHED CCCCCCCCCCNc1ccc(C(=O)O)nn1 129381256 ODQSWYPRZYUUJN-UHFFFAOYSA-N 279.384 3.727 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(F)c1 1537236061 UXPRENWXWCZQKN-QGZVFWFLSA-N 294.329 3.505 30 20 CHED C[C@@H](c1cc(Cl)ccc1Cl)N1CC(C)(C#N)C1 1473434088 KTFVRWFDRAFDFO-VIFPVBQESA-N 269.175 3.900 30 20 CHED CC1(NC(=O)Nc2cc(F)cc(C#N)c2)CCCCC1 1476982316 WKRRJSZUMYQCPJ-UHFFFAOYSA-N 275.327 3.542 30 20 CHED CCOc1cc(Oc2cc(C)c(C#N)c(C)c2C)nc(C)n1 1472779947 ZZHISWJWJPMWKE-UHFFFAOYSA-N 297.358 3.773 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCCC[C@H]2c2ccccc2)C1 1560898002 UVROVLWGPWETBK-RANZSIQMSA-N 268.404 3.995 30 20 CHED CC(C)[C@H]1CCCN(CCc2ccc(C#N)cc2)CC1 1641799096 FCYZZAMOHWJIEH-SFHVURJKSA-N 270.420 3.859 30 20 CHED C=C(CC)CSc1cccc(-c2nn[nH]n2)c1Cl 1573294777 KWGBVUWTEDEZIF-UHFFFAOYSA-N 280.784 3.578 30 20 CHED C[C@@H](CSc1ccnc(C#N)c1)c1ccccc1 1651821509 BYKDOIDSTGGQSO-LBPRGKRZSA-N 254.358 3.849 30 20 CHED N#Cc1ccccc1COc1ccc(F)c2cccnc12 1652078076 NCUHVWQXAPLJHT-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C=CCC1(C(=O)O)CCN([C@H](C)c2cccc(C)c2)CC1 1776157522 XNFUIMHFYAZQCN-OAHLLOKOSA-N 287.403 3.799 30 20 CHED Cc1c(NN=C[C@]2(C)[C@@H](C)[C@@]2(F)Cl)cccc1C(=O)O 1776089007 WSCLDHMGGUZGOR-FZQKWOKYSA-N 298.745 3.652 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C(=O)O)oc1CC 1776180778 AQPBYPCJPOGBSF-UHFFFAOYSA-N 299.370 3.728 30 20 CHED C[C@H]1Cc2ccccc2C(=O)/C1=C\c1csc(C(=O)O)c1 1776665893 IWVTVPMBLRJYTJ-IXIHQHOXSA-N 298.363 3.905 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2ccc(F)cc2F)s1 1776125330 DVNOYGJUZREXDW-DJWKRKHSSA-N 294.278 3.621 30 20 CHED C=CC1(CC(=O)OCc2cc(C(=O)O)co2)CCCCC1 1776150687 WJBJJSNYBLSVEI-UHFFFAOYSA-N 292.331 3.548 30 20 CHED O=C(O)c1ccccc1NN=C1CCC2(CC1)CC2(F)F 1776031287 XUZWMFIKDFYDKA-UHFFFAOYSA-N 294.301 3.752 30 20 CHED Cc1cc(C)c(OCC(=O)Nc2ccc(C#N)cc2)c(C)c1 15567161 IDXLSONKKBIFOB-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)[C@@H](C#N)c2nc3ccccc3n2C)C1 151528702 LFMBOEIEFIUMOQ-MGPQQGTHSA-N 295.386 3.576 30 20 CHED CCC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C(C)C 153128051 DZCVCHKQWWPVIT-CHWSQXEVSA-N 283.375 3.811 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 153910253 KYJMLSHYXILXPA-GHMZBOCLSA-N 285.309 3.575 30 20 CHED C=CCn1c(SCC)nnc1-c1ccc(C)cc1 154678564 PINYMFFNKOANGZ-UHFFFAOYSA-N 259.378 3.552 30 20 CHED Cc1cc(C#N)ccc1COc1c(C)cc(C#N)cc1C 159207991 GFHVOTIZHMVRKE-UHFFFAOYSA-N 276.339 3.934 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1ccc(Cl)cc1 159131002 SCCFEXYJMJVZCF-GFCCVEGCSA-N 278.783 3.504 30 20 CHED C#C[C@@H](CC)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 233903342 RJSFCNCRCVDEML-UWUYSDQOSA-N 273.420 3.511 30 20 CHED C[C@H](NC[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 280347205 HQUDSCUTBXXCMK-WCQYABFASA-N 264.319 3.644 30 20 CHED C=CC[C@H](CC)N[C@H](CC)c1cccc([N+](=O)[O-])c1 343511446 UDYKGTNFQLTJCD-DZGCQCFKSA-N 262.353 3.990 30 20 CHED CCCN(CC#N)Cc1csc(-c2cccs2)n1 58909311 YUGFATGCPQCBDS-UHFFFAOYSA-N 277.418 3.607 30 20 CHED Cn1cc(CNc2cccc3ccccc23)cc1C#N 189573058 GIESNVQCLUXGNT-UHFFFAOYSA-N 261.328 3.662 30 20 CHED Cc1cc(Cl)ccc1NC(=O)Cc1ccc(C#N)cc1 70158499 ACYNMPUJIKGCMK-UHFFFAOYSA-N 284.746 3.701 30 20 CHED COc1cccc(C)c1NCc1ccc(C#N)c(F)c1 194552119 ABNIKNFLOHXCSW-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1cc(Cl)ccc1-c1noc(CCCC#N)n1 601392524 JSOPLCRXKHHMRB-UHFFFAOYSA-N 261.712 3.545 30 20 CHED Cc1ccoc1CN(C)c1ccc(C#N)c(Cl)c1 310868836 SYUXUDXPCYLOPV-UHFFFAOYSA-N 260.724 3.750 30 20 CHED N#Cc1ccc(CNCC2CCC(F)(F)CC2)cc1F 421357745 QGLVUSBMUISKFC-UHFFFAOYSA-N 282.309 3.612 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 468286308 MWBIWBGKBSDRBJ-UHFFFAOYSA-N 280.346 3.886 30 20 CHED CCc1ccc(CNc2ncc(C#N)cc2Cl)s1 339130946 GLRWBGZEMDZJQP-UHFFFAOYSA-N 277.780 3.843 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ncccc1C#N 359847423 AXEPSENYJKRSLB-UHFFFAOYSA-N 263.344 3.536 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 708548747 JXCXNOGUJUOPNP-HNNXBMFYSA-N 274.383 3.955 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C1[C@H]2CCCC[C@H]12 695714761 WPDMMSMQQDKPRI-RYUDHWBXSA-N 274.751 3.586 30 20 CHED N#CCCOc1ccc([N+](=O)[O-])cc1-c1cccs1 8354253 LTBGYIYTGBWVTO-UHFFFAOYSA-N 274.301 3.616 30 20 CHED CC(C)(CNC(=O)C1(C#N)CCCCC1)c1ccccc1 57386989 LRXTYJQCELPBOO-UHFFFAOYSA-N 284.403 3.554 30 20 CHED CCS[C@@H](C(=O)Nc1cccc(C#N)c1C)C(C)C 178627965 OHFPMXWSFDOYEA-CQSZACIVSA-N 276.405 3.583 30 20 CHED Cc1ccc(C[C@H]2CCCN(CCCC#N)C2)cc1 51063960 MXOAIHHGURTFEM-QGZVFWFLSA-N 256.393 3.553 30 20 CHED C[C@@H](CC1CCCC1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 114617977 PTKJPYOMNYFVEQ-XJKSGUPXSA-N 298.386 3.550 30 20 CHED N#C[C@H](NC(=O)C1CCCCCC1)c1ccc(Cl)cc1 113176322 KGDGQWQDOCEUML-HNNXBMFYSA-N 290.794 3.991 30 20 CHED C=CCCCCCCNC(=O)C(C#N)(CC)CC 310631319 NCIGSFVVYUUZPP-UHFFFAOYSA-N 250.386 3.569 30 20 CHED C=C(C)CSCC(=O)Nc1cccc(Cl)c1C 177869525 XDVZNJRGYSOTER-UHFFFAOYSA-N 269.797 3.896 30 20 CHED CSc1ccc(NC(=O)NCCCCC#N)cc1Cl 176115272 CNBAOOHZBSQOIL-UHFFFAOYSA-N 297.811 3.877 30 20 CHED C=CCCCCCN(C)C(=O)CC[C@@H]1CC[C@@H](C)O1 174310468 NYXUDSILAPYFBD-CABCVRRESA-N 267.413 3.539 30 20 CHED C=CCOCCCC(=O)N(CC)Cc1ccccc1Cl 173365910 GNIPVCXSAQRMJK-UHFFFAOYSA-N 295.810 3.671 30 20 CHED O=C1/C(=C/c2ccc(O)cc2)CCOc2ccc(F)cc21 29217548 FGRDKFKWTMNWRD-FMIVXFBMSA-N 284.286 3.580 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccco1)c1ccccn1 177388930 GLHUSVZVKBRBDO-UHFFFAOYSA-N 296.370 3.976 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(C)c1O 174939005 BJSUPISOZGHPFN-UHFFFAOYSA-N 283.327 3.518 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(C(F)F)c2)C1 172310661 DWXAYMGHSJXUBC-BDJLRTHQSA-N 292.329 3.826 30 20 CHED C[C@H]1CCN(c2ccc3cc(C#N)ccc3n2)C[C@H]1C 301949787 DEMWPISOXZTLNF-QWHCGFSZSA-N 265.360 3.589 30 20 CHED CCCCCCCCCCOc1cccc[n+]1[O-] 179756519 TWHGKXDGMNLZQG-UHFFFAOYSA-N 251.370 3.840 30 20 CHED CN(Cc1cccc(F)c1)c1ccc2cc(C#N)ccc2n1 301839903 ZZZBINVXXVINET-UHFFFAOYSA-N 291.329 3.882 30 20 CHED C[C@H]1C/C(=C/c2cccnc2N(C)C)C(=O)c2ccccc21 1346403640 WSEJSRNKFVXQSF-FRRXJZEGSA-N 292.382 3.921 30 20 CHED CC[C@H](OC(=O)CSCC#N)C(C)(C)c1ccccc1 173130554 SRLBYAGMRMCHKE-AWEZNQCLSA-N 291.416 3.543 30 20 CHED COc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1C#N 173018088 ZPHWUBNABHEGQA-NVNXTCNLSA-N 289.334 3.698 30 20 CHED COc1cc(C)ccc1[C@@H](C)NCc1ccc(C#N)c(F)c1 404863662 YJHZWETXMPXIPV-CYBMUJFWSA-N 298.361 3.865 30 20 CHED Cc1ccc(S[C@H](C)C(=O)N[C@@H](C#N)C(C)(C)C)cc1 122126322 KLQYGWMNJDJCDW-OCCSQVGLSA-N 290.432 3.530 30 20 CHED C#CCCCCC(=O)N[C@H](CC)CSc1ccccc1 120047625 QWYAUXCEQMLOHW-OAHLLOKOSA-N 289.444 3.867 30 20 CHED C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc(C#N)c1 128933864 JPWJPKBQIQXNNI-CYBMUJFWSA-N 286.375 3.625 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@H](C)c1ccccc1 189204340 GBVMCLLDHOYURS-HDMKZQKVSA-N 289.419 3.524 30 20 CHED N#Cc1cccc(NCc2cc(F)ccc2Cl)c1 124014288 ICSDEEASYLSYIJ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccc2ccccc2c1 122283203 YEGUEYGFXZPENC-SUMWQHHRSA-N 294.398 3.998 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1OC(F)F 182649462 NTXFMJFROIHZOA-LLVKDONJSA-N 283.318 3.763 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 79854108 VNXHHHGTNPKTCM-JTQLQIEISA-N 285.347 3.791 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccc(C)cc1 37770990 OTZRQBODATUNQM-INIZCTEOSA-N 279.383 3.858 30 20 CHED N#Cc1ccccc1CSCCC1CCOCC1 419398115 WHPHRDLPATYLOZ-UHFFFAOYSA-N 261.390 3.608 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc(-c2ccccc2)ns1 410824004 BOWFBPVONNUIDW-ZDUSSCGKSA-N 299.399 3.574 30 20 CHED O=C(NCC#Cc1ccccc1)c1csc2ccccc12 502400859 XYKOFEKJNPJUAT-UHFFFAOYSA-N 291.375 3.683 30 20 CHED C=CCC1(C(=O)NC2CCC(OC(C)C)CC2)CCC1 189709783 TZJPCAPSITZVSR-UHFFFAOYSA-N 279.424 3.585 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)c(CC)s1 122567394 SVDCOKNDYWKOCS-UHFFFAOYSA-N 251.395 3.657 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 185732463 KWXXMTPQGCVJBE-HZPDHXFCSA-N 294.402 3.983 30 20 CHED N#Cc1c(Cl)cccc1N[C@@H]1CCC[C@H]2OCC[C@@H]12 450393627 WAPTXLBHGQJEQS-PSOPSSQASA-N 276.767 3.581 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCC1CCCCC1 182577295 QQOSQIMCPKHBEI-ZDUSSCGKSA-N 258.365 3.970 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2c(Cl)cccc2C#N)C1 413390550 YKKILFBIVRJCBP-TXEJJXNPSA-N 264.756 3.580 30 20 CHED C#CCCCCC(=O)NC1(c2ccc(F)cc2F)CCC1 120344767 CTUCGVRLIFQWRW-UHFFFAOYSA-N 291.341 3.654 30 20 CHED C=CCCCN(C)C(=O)N[C@@H](C)c1cc(C)oc1C 77574721 ZMEKYKLLNAVYMR-LBPRGKRZSA-N 264.369 3.565 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H](C)C(C)C)c1ccc(F)c(F)c1 186061130 MNNOYTQCCHPFKK-NHYWBVRUSA-N 281.346 3.990 30 20 CHED CC(C)(C)c1csc(CCN[C@H]2CCC[C@H](C#N)C2)n1 185820130 JHXZFDWWWCXGPP-STQMWFEESA-N 291.464 3.655 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(C#N)ccc1F 441470560 XEXGJTCMSKWHTM-HACGYAERSA-N 272.367 3.850 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)[C@H](C)C1CCCCC1 185500711 IJXCDKKUCISYMX-KKUMJFAQSA-N 261.413 3.624 30 20 CHED C[C@@H](C#N)N(C)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 410885346 WEWGKBUUFVTKOX-LBPRGKRZSA-N 292.810 3.669 30 20 CHED C=C(C)CCc1noc(Cc2c(C)[nH]c3ccccc23)n1 508633382 BTFVHPLSBNTXGL-UHFFFAOYSA-N 281.359 3.959 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 131980934 FEDFAENZJMBBAL-DLBZAZTESA-N 269.388 3.523 30 20 CHED C[C@@H](CC(=O)Nc1ccccc1C#N)Cc1cccc(F)c1 74805256 MCZFXWWBDWLDOY-CYBMUJFWSA-N 296.345 3.905 30 20 CHED C#C[C@H](C)NC(=O)N(C)Cc1ccccc1-c1ccccc1 185977509 GPCQWBGXHRPSOQ-HNNXBMFYSA-N 292.382 3.517 30 20 CHED C[C@@H]1C[C@H](NC(=O)NCCCC#N)C[C@H](c2ccccc2)C1 413432373 CBVAWGVIFCCJJO-UAGQMJEPSA-N 299.418 3.562 30 20 CHED C[C@H](c1ccccc1Cl)N(C)Cc1cccc(C#N)n1 602437527 BFFWAIWUCOYSJA-GFCCVEGCSA-N 285.778 3.800 30 20 CHED CCCCCCCCC(=O)Nc1ccc(Cl)nn1 134584583 FCPBWWNHRKCJMI-UHFFFAOYSA-N 269.776 3.819 30 20 CHED CC(C)(CNC(=O)c1cc(C#N)cs1)Cc1ccccc1 84112277 RTZWEZBHJWDOQE-UHFFFAOYSA-N 298.411 3.618 30 20 CHED O/C(=N/[C@@H]1C[C@H]1C1CCCCC1)c1snnc1C1CC1 329512285 KYMTWJFVCMRKIV-NWDGAFQWSA-N 291.420 3.689 30 20 CHED CN(Cc1cccc(Cl)c1)c1snc(Cl)c1C#N 48545146 VJHUWPFUVGLFJD-UHFFFAOYSA-N 298.198 3.958 30 20 CHED N#CCOc1ccc(CN[C@H](c2ccccc2)C2CC2)cc1 194515258 YDRLZKIYWPUHIL-LJQANCHMSA-N 292.382 3.830 30 20 CHED C#CCCCCC(=O)N1CCCSc2ccc(F)cc21 190443534 HCGHGFLIQTVLNB-UHFFFAOYSA-N 291.391 3.848 30 20 CHED CC[C@@H](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 191676410 XWSOKTSDURCKRD-GFCCVEGCSA-N 297.320 3.609 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2nnc(C)o2)c1 135077414 ZUUQLCXOGDFANG-INIZCTEOSA-N 285.347 3.586 30 20 CHED Cc1ncsc1N=C(O)c1coc(C2CCCC2)n1 328669426 FEKAGJFFCSOHIQ-UHFFFAOYSA-N 277.349 3.733 30 20 CHED C=C(Cl)CN[C@H]1CCSc2c(F)cccc21 135864923 NDEHIZVHTYSRMK-NSHDSACASA-N 257.761 3.705 30 20 CHED N#C[C@@H](C(=O)c1ccsc1)c1ccc2ccccc2n1 47375759 UVQNQNYKYMTSRJ-CYBMUJFWSA-N 278.336 3.786 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCCc2ccccc21 519071513 JSGLMKNLNDFRQG-PBHICJAKSA-N 287.403 3.504 30 20 CHED CC[C@H](C#N)OC(=O)c1sc2ccc(F)cc2c1C 84707487 QNUGRCNOGGLGBH-SNVBAGLBSA-N 277.320 3.808 30 20 CHED C[C@@H](NC(=O)N1CCCCCCC1)c1ccc(C#N)cc1 47052636 YGHDRHLYOAVEHL-CQSZACIVSA-N 285.391 3.595 30 20 CHED CC(C)c1nnc(C/N=C(/O)CCC2CCC2)s1 329812667 NGBOJOAJBLEIJS-UHFFFAOYSA-N 267.398 3.698 30 20 CHED CCC(CC)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425125113 GGWUPIDALYNHAX-CYBMUJFWSA-N 272.392 3.904 30 20 CHED C=CCC[C@H](C)NCc1ccnc(SCC)c1 427866519 LPZRCVADFVLYLH-LBPRGKRZSA-N 250.411 3.638 30 20 CHED COc1cc(/C=C/C(=O)c2ccsc2)ccc1C 193133517 WAXVESLKWHTOJX-AATRIKPKSA-N 258.342 3.961 30 20 CHED Cc1ccc(-c2ccncc2)cc1NC(=O)[C@]1(C#N)C[C@H]1C 334518999 VTHWCLYGYVNMTN-ACJLOTCBSA-N 291.354 3.545 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(C#N)ccc1OC(C)C 193794242 ZWEDYCMCCPOGOZ-UHFFFAOYSA-N 299.374 3.551 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)c1cc(C#N)ccc1Cl 334243976 YYZQWADFYVDDEZ-JTQLQIEISA-N 288.734 3.638 30 20 CHED C=C(C)CNC(=S)N[C@H](c1ccccc1)C(C)(C)C 145163660 OCEFYGBMRNXUEN-CQSZACIVSA-N 276.449 3.814 30 20 CHED N#CC[C@H](CC(=O)NCCCC(F)(F)F)c1ccccc1 337914591 SIFNRKANFMEWPV-CYBMUJFWSA-N 298.308 3.533 30 20 CHED COc1ccc([C@@H](C)CNCc2ccc(C#N)s2)cc1 421355970 VQZXAQMOUXATDL-LBPRGKRZSA-N 286.400 3.522 30 20 CHED CC1(C)C[C@H]1CNc1ccc(C#N)c(Br)c1 232928660 WPHRXCCKRFHLQG-JTQLQIEISA-N 279.181 3.779 30 20 CHED C[C@H]1CCC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 331036009 MVJXYCJBILVITH-BBRMVZONSA-N 284.403 3.796 30 20 CHED CC(C)c1cnc(N/C(O)=N/C[C@@H]2CCCCS2)s1 330242069 FZNVDIDHAWLPSJ-JTQLQIEISA-N 299.465 3.878 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1ccc2ncsc2c1 330475842 GPKPFWFBPQPKPG-HNNXBMFYSA-N 287.388 3.929 30 20 CHED O=C(/C=C\c1ccccc1Cl)c1cccc(O)c1 96792706 QNOFSSIICYUGIL-HJWRWDBZSA-N 258.704 3.942 30 20 CHED Cc1cc(Oc2ccc(C#N)c3ccccc23)ncn1 338830470 ZAOBOYIJUHKEFU-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CC(C)CC1(C/N=C(/O)N[C@@H]2CCO[C@@H](C)C2)CCCC1 330604952 LVOIRIHRPSERFE-LSDHHAIUSA-N 296.455 3.664 30 20 CHED C[C@H](c1ccccc1)N1CCC(C#N)(c2ccccn2)CC1 335702453 XFLMIJCTPUJTLM-MRXNPFEDSA-N 291.398 3.700 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 435277643 CLFJRJFGBIXNAI-GOSISDBHSA-N 290.366 3.996 30 20 CHED N#Cc1ccncc1N[C@H]1CCCc2ccc(F)cc21 92976440 KYPUOSRWCWLDHN-HNNXBMFYSA-N 267.307 3.582 30 20 CHED Cc1cnccc1SCc1cc(C#N)ccc1F 338625246 JCMQGVCLFLMBLW-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)cc1Cl 179626376 FZCGDKBFXUUDBI-UHFFFAOYSA-N 253.704 3.611 30 20 CHED CC1(C#N)CCC(NC2(c3ccccc3F)CC2)CC1 334669479 VEBCCTAZIXBCHK-UHFFFAOYSA-N 272.367 3.877 30 20 CHED COc1ccccc1C(C)(C)N/C(O)=N/CC1CCCC1 330519470 GZZIZQYGCNKMHW-UHFFFAOYSA-N 290.407 3.624 30 20 CHED C=CCCC(=O)Nc1ccc(Br)c(F)c1C 617476469 HHTHORJWLOBWSW-UHFFFAOYSA-N 286.144 3.801 30 20 CHED O/C(=N/C[C@H]1CCC2(CCCCC2)O1)Nc1ccccc1 330046310 IQQLBQULCMZABA-OAHLLOKOSA-N 288.391 3.894 30 20 CHED C=CCC[C@H](NC(=O)c1c[nH]cc1C)c1ccccc1 435405353 MKRFISXFPATKQJ-INIZCTEOSA-N 268.360 3.760 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(C#Cc2ccccc2)cc1 522643380 ULUBMKDBVAJOLE-MRXNPFEDSA-N 289.378 3.781 30 20 CHED C[C@@H](CC1CC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431920002 RPIRYWGVKDJAHX-YOEHRIQHSA-N 299.418 3.909 30 20 CHED C=CCCN(C)c1c(C#N)cnc2c(F)c(F)c(F)cc12 342966293 QGMGHFZEOMMCEO-UHFFFAOYSA-N 291.276 3.536 30 20 CHED CC(C)n1ccnc1Sc1cccc(F)c1C#N 343405247 KMXXOMOGNQMOGU-UHFFFAOYSA-N 261.325 3.626 30 20 CHED C=CC1CCN(C(=O)c2ccc(C(C)(F)F)cc2)CC1 340159385 JWNVTUWROUPZEL-UHFFFAOYSA-N 279.330 3.837 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(C)c1Cl 341037919 MBHSKDBVWNJEJK-SNVBAGLBSA-N 278.783 3.579 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C[C@H]1C 248587532 GLLAIOILOFRVMT-CPUCHLNUSA-N 299.418 3.524 30 20 CHED Cc1cc(C#N)cc(N[C@@H](c2nc[nH]n2)C2CCCCC2)c1 602687423 VSXNSRHBOITFEM-MRXNPFEDSA-N 295.390 3.718 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCc2cc(F)ccc21 436309432 RROBHWVQNZCVSU-OLMNPRSZSA-N 289.394 3.774 30 20 CHED Cc1cccc(-c2nnc(SC[C@@H](C#N)CCC#N)o2)c1 608861599 MHWHQVPPKMWWOJ-GFCCVEGCSA-N 298.371 3.581 30 20 CHED CC(C)/C=C/c1cn(Cc2ccccc2C(C)(C)C#N)nn1 603249288 GYFFECZVSPPTFR-MDZDMXLPSA-N 294.402 3.797 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1ccc(F)c(Cl)c1)OCC 345461352 KMYHDQIBXKHSJQ-CQSZACIVSA-N 299.773 3.813 30 20 CHED N#Cc1cccc(CN[C@H](c2ccccc2)C2CCC2)n1 602542392 TWUQHYVLEYMVDQ-GOSISDBHSA-N 277.371 3.584 30 20 CHED CCc1ccccc1Cc1noc(C(C#N)(CC)CC)n1 528174906 MDRUPPBVPODGQZ-UHFFFAOYSA-N 283.375 3.804 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)O[C@@H]1CC[C@@H](C#N)C1 255552507 UDKWIVAYGSAFGQ-OTDDEKQNSA-N 289.762 3.979 30 20 CHED C=CCN(CCc1ccco1)Cc1nc(C2CC2)cs1 343812407 KPMRQWOBYXYYRY-UHFFFAOYSA-N 288.416 3.844 30 20 CHED CCN(C/C=C\c1ccc(Cl)cc1)C[C@@H](C)C#N 255141407 AIORISLCHAPROK-ZFDPJTLLSA-N 262.784 3.835 30 20 CHED COc1cc(COc2ccc(C#N)c(F)c2)ccc1C 600858567 BOKJEXDWHXVRPR-UHFFFAOYSA-N 271.291 3.593 30 20 CHED N#Cc1cc(Cl)ccc1NCCc1c[nH]c2ncccc12 443892780 ADKABQVOQOSTLR-UHFFFAOYSA-N 296.761 3.743 30 20 CHED CCCc1ccc(C(=O)Nc2nc(C)cc(C)c2C#N)s1 602356222 OKFPHQPWGQAPLY-UHFFFAOYSA-N 299.399 3.836 30 20 CHED CC[C@@H](NC[C@@]1(C)CCCS1)c1ccc(C#N)cc1 447587070 OIAYRHQAFHGGRV-HZPDHXFCSA-N 274.433 3.885 30 20 CHED CC[C@@H](CNC[C@@H](C)CCC#N)Oc1cccc(F)c1 602561125 CWMSYKBJNRTZGF-ZFWWWQNUSA-N 278.371 3.513 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](C)c1ccc(CC)cc1 606168704 NIHZOEKKCKCMKQ-HNNXBMFYSA-N 271.404 3.943 30 20 CHED N#C[C@@]1(C(=O)Nc2cscc2Cl)CC12CCCC2 602223382 YQGYEMIOKRGVCJ-CYBMUJFWSA-N 280.780 3.814 30 20 CHED Cc1ccccc1[C@H](NC(=O)CC#N)[C@H]1CCC[C@H](C)C1 356223589 OFGJGHDGISWJBM-DHSIGJKJSA-N 284.403 3.892 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccsc1 255729038 UYSSHZVFZRRIOO-WAYWQWQTSA-N 259.286 3.552 30 20 CHED CC(C)Cc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)cc1 604546132 FDRKFLGMALTCOB-SFHVURJKSA-N 286.419 3.943 30 20 CHED C=CCN(Cc1nc2cc(C(F)(F)F)ccc2o1)C1CC1 536744912 WSKYZLPVGZUNBY-UHFFFAOYSA-N 296.292 3.997 30 20 CHED Cc1cc(CNc2ncccc2Cl)ccc1C#N 351570545 XSKZQAZZOIHIHV-UHFFFAOYSA-N 257.724 3.527 30 20 CHED COCc1ccc(NCc2ncc(C(C)(C)C)o2)cc1C#N 530120018 NHUQCSKEVSDDBM-UHFFFAOYSA-N 299.374 3.602 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C)Cc1c(C)noc1C 449159955 JYFRVUKHBSFZAR-OLZOCXBDSA-N 264.413 3.947 30 20 CHED C=C(C)[C@@H](CC(=O)NC1CCC(C(C)C)CC1)OCC 534405331 LCKYXXBIUOFFIF-UYSNPLJNSA-N 281.440 3.689 30 20 CHED COCC1(CNc2nc(C)cc(C)c2C#N)CCCCC1 357776329 UKNWSYMJIHTYGN-UHFFFAOYSA-N 287.407 3.579 30 20 CHED CCCN(C(=O)/C=C/c1ccc(C#N)cc1)C(C)(C)C 267928958 NJFTXWWKIUDHEH-ZHACJKMWSA-N 270.376 3.609 30 20 CHED Cc1nnc(SCCC(C)(C)C#N)n1-c1ccccc1 266261859 VNHPKMBXMYRBQE-UHFFFAOYSA-N 286.404 3.608 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1C1CCC1 350729668 MYNKKZSNJWDOEM-DZGCQCFKSA-N 288.439 3.747 30 20 CHED N#Cc1cccc(N2CCC(=Cc3cccc(F)c3)CC2)n1 531788942 RFBAWHVHOQXEJQ-UHFFFAOYSA-N 293.345 3.776 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc2c1OCO2 611871400 MYVRXSQFNDDZSW-HNNXBMFYSA-N 292.338 3.776 30 20 CHED COc1ccc(C(C)=O)c(OCc2ccc(C#N)c(C)c2)c1 447306448 SUNQKQDIYKFKOA-UHFFFAOYSA-N 295.338 3.657 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(N)cc1Cl 269205588 CTAFBPXAKHDXSX-UHFFFAOYSA-N 280.799 3.741 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2[C@@H]3CCC[C@@H]23)cc1 610522681 IAESITQPQMNCKB-OAGGEKHMSA-N 296.414 3.711 30 20 CHED CSc1ccc(C)c(C(=O)N[C@](C)(C#N)CC(C)C)c1 533877954 QZCDUSVVTHWMDP-INIZCTEOSA-N 290.432 3.775 30 20 CHED C=CCCN[C@H](C)[C@@H](OC)c1ccccc1Cl 537588715 ILSLYKDUSKFVAC-BXUZGUMPSA-N 253.773 3.582 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1C1CCCCC1 610211108 VBIFHIUPKLGWDA-GOEBONIOSA-N 285.347 3.847 30 20 CHED CC[C@H](c1ccc(F)cc1)N1CCC[C@@](C)(C#N)C1 612166323 SEGSZJNJUVNDDR-CVEARBPZSA-N 260.356 3.902 30 20 CHED CC(C)CCN(C)Cc1ccc(Cl)cc1C#N 614160923 UXFQICGYUAFECS-UHFFFAOYSA-N 250.773 3.690 30 20 CHED CCOc1ccc(COc2ccc(C#N)c(Cl)c2)nc1 615175490 ICJCSNCOODBPJP-UHFFFAOYSA-N 288.734 3.584 30 20 CHED CCC(CC)Oc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 449839531 CCAJLZYOTQAXDA-ZDUSSCGKSA-N 288.391 3.628 30 20 CHED C[C@H](NCCCc1ccsc1)c1ccc(C#N)cc1 611932554 DHUKHEMZRRCJTC-ZDUSSCGKSA-N 270.401 3.903 30 20 CHED C=CCCCCCN(C)CCc1ccc2c(c1)CCO2 441450381 RCYOXBMYSQUMCR-UHFFFAOYSA-N 273.420 3.842 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc(C#N)c1 614407774 ZEMCMDPZFQYHFM-AWEZNQCLSA-N 275.355 3.589 30 20 CHED CCC(CC)[C@@H]1C[C@@H](Nc2nccc(C)c2C#N)CCO1 612092296 CSXWSXQMVWVGGJ-HOCLYGCPSA-N 287.407 3.657 30 20 CHED C=C(CC)CS[C@H](C)C(=O)NC1CCC(C)CC1 358638153 VIXGMOUZODQATO-ROKHWSDSSA-N 269.454 3.769 30 20 CHED C=C(CC)CN[C@@H]1CCC[C@@H](c2ncccc2C)C1 449734060 LSTPEMBLAAWALP-HZPDHXFCSA-N 258.409 3.972 30 20 CHED C[C@@H](SC[C@@H]1CCCOC1)c1ccc(C#N)cc1 532879572 ZQZNEVVRLPMCGN-TZMCWYRMSA-N 261.390 3.779 30 20 CHED C=CCCC1(C(=O)N2Cc3cccc(Cl)c3C2)CC1 359773510 PKMBSAJYQQYJAL-UHFFFAOYSA-N 275.779 3.929 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)CC1CCCCC1 538289171 DVRJJDILJPRQQZ-CQSZACIVSA-N 266.429 3.953 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)C(C)(C)C#N 264363640 JPWMCJASLWMHBG-UHFFFAOYSA-N 282.796 3.940 30 20 CHED C=CC1CCN(CC(=O)Nc2cccc3ccccc23)CC1 532966076 YPHMSKWVYGKXIJ-UHFFFAOYSA-N 294.398 3.676 30 20 CHED C=CCN(C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 613238864 FNVFNDUPNVKMFI-AEFFLSMTSA-N 283.415 3.822 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](OCCC(C)C)C2)CCCC1 450066651 HFLJQLDYCAUEBB-MRXNPFEDSA-N 293.451 3.787 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CCCC1 451293945 WXPYXSWCZZRSTO-JKSUJKDBSA-N 287.378 3.934 30 20 CHED N#Cc1cccnc1N1CCC[C@H](c2ccc(F)cc2)CC1 539772988 KKRZSOZGADNHHC-AWEZNQCLSA-N 295.361 3.866 30 20 CHED C=CCN(C(=O)CC1CC(F)(F)C1)c1ccccc1 459927068 CRAIUMLNGTYIQU-UHFFFAOYSA-N 265.303 3.641 30 20 CHED CCC(C)(C)OCC(=O)Nc1ccc(CC#N)cc1Cl 457817463 NRWYGOJNTSDLJP-UHFFFAOYSA-N 294.782 3.550 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1)OCC 535145990 BGXCNPVSFIECSA-TWMKSMIVSA-N 293.451 3.833 30 20 CHED C=CCCOCC(=O)Nc1ccc(Cl)cc1SC 617251950 CZRSFDKFVWJTRX-UHFFFAOYSA-N 285.796 3.593 30 20 CHED C=CCCc1noc(COc2cccc(C(F)(F)F)c2)n1 453249951 WMURWIZCZBKUTC-UHFFFAOYSA-N 298.264 3.786 30 20 CHED C=CCCCCNC(=O)Cc1nc(C(C)C)c(C)s1 279777105 QTRNMQPXCQOSMJ-UHFFFAOYSA-N 280.437 3.590 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCC(C)(C)C#N 360263331 BDVGIZMGEOVSBN-KGLIPLIRSA-N 284.403 3.642 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2c1[nH]c1ccccc21 453380230 ZQGKZVBSRPUAPH-KURKYZTESA-N 296.414 3.869 30 20 CHED C=CCC1(C(=O)N2CC(C)(CC(F)(F)F)C2)CCC1 457092477 CXPNKESPVZDBGH-UHFFFAOYSA-N 275.314 3.534 30 20 CHED Cc1c(C#N)cccc1C(=O)NC(C)(C)c1ccc(F)cc1 1262105620 LBSFTSJOJFMJGA-UHFFFAOYSA-N 296.345 3.671 30 20 CHED C=CCC[C@@H](CO)N[C@@H](CC)c1ccc(Cl)s1 453357646 NKFCQVLJGHBBKD-QWRGUYRKSA-N 273.829 3.769 30 20 CHED CCSc1ccc([C@@H](C)Nc2nccc(C#N)n2)cc1 450318331 VWWBHLWPEDWYIF-LLVKDONJSA-N 284.388 3.633 30 20 CHED C=CCCC1(C(=O)Nc2cc(C)ccc2OC)CC1 361444400 OMACCLPSDXJYIO-UHFFFAOYSA-N 259.349 3.689 30 20 CHED CCc1cccc(CC)c1NC(=O)NCC(C)(C)CC#N 459227836 GHOAWWPETGHWAJ-UHFFFAOYSA-N 287.407 3.873 30 20 CHED CC(C)(CC#N)CNCc1csc(-c2ccsc2)n1 459706987 ZLVNAXJONUXJKT-UHFFFAOYSA-N 291.445 3.901 30 20 CHED N#CC1(CN2CC[C@](F)(c3cc(F)cc(F)c3)C2)CCC1 450938291 ITEFYJFRBLNYRZ-MRXNPFEDSA-N 294.320 3.529 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC(CC)(c2ccccc2)C1 458731895 KXBIIIBEEYPVDQ-MRXNPFEDSA-N 286.419 3.714 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCC[C@H]1c1ccccc1 459725525 CUCQVSHDTVRZIZ-JKSUJKDBSA-N 256.393 3.852 30 20 CHED CC#CCCCC(=O)NCc1c(Cl)cccc1Cl 546630695 VCPRRNDNQWZBMC-UHFFFAOYSA-N 284.186 3.803 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 455324336 MBJMTZHWIOHBPF-KZNAEPCWSA-N 298.430 3.930 30 20 CHED CN(Cc1ccc(F)cc1F)CC(C)(C)CCC#N 271046546 RFMXMNUUZWEJIP-UHFFFAOYSA-N 266.335 3.727 30 20 CHED Cc1ccnc(N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1C#N 541279011 MZAUCNQHIVKVPT-DOTOQJQBSA-N 291.398 3.892 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(OC(C)C)c1 455788796 WGHBWRBEKJRHSJ-UHFFFAOYSA-N 262.353 3.514 30 20 CHED C=C(CC)CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 540205351 ZXSLKOIIXDHVRT-OAHLLOKOSA-N 275.367 3.687 30 20 CHED CC[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(C#N)cc1 278893415 YSKRFQGQGLYZCT-OKZBNKHCSA-N 284.403 3.557 30 20 CHED CC(C)O[C@H]1C[C@H](NCCCCC(C)(C)C#N)C1(C)C 451505501 SUGQPKYZNUVVSC-GJZGRUSLSA-N 280.456 3.888 30 20 CHED C#CCCCCC(=O)Nc1c(C)cnc2c(OC)cccc12 278586055 PINGCPPGVLKVEY-UHFFFAOYSA-N 296.370 3.684 30 20 CHED C=C(C)CNC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 277793549 KBWSKZBSUASRMH-UHFFFAOYSA-N 297.402 3.611 30 20 CHED Cc1cc(F)ccc1-c1noc(-c2cccc(CC#N)c2)n1 546378763 WZRLWWYFQYVYDP-UHFFFAOYSA-N 293.301 3.917 30 20 CHED C=C(C)CCN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 626101409 RQMBNYBCCSQDRU-AWEZNQCLSA-N 288.218 3.973 30 20 CHED Cc1cc(NCCCC#N)c2ccc(F)c(F)c2n1 277495653 UUONXQWPQXHWJT-UHFFFAOYSA-N 261.275 3.537 30 20 CHED CCCCCCCCNC(=O)c1c(CC)nn(C)c1Cl 271103702 ZHVQQLMMFMSIJF-UHFFFAOYSA-N 299.846 3.726 30 20 CHED N#Cc1ccc(C(=O)NCCC2=CCCCC2)cc1Cl 547950989 NIXYUPUXNMEBEP-UHFFFAOYSA-N 288.778 3.832 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](CC)OC1CCCCC1 466525999 ANFBXFZVPQDMAS-HIFRSBDPSA-N 267.413 3.585 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccc(F)cc1Cl)C1CC1 271588985 SRYXSZYXKNWAOS-JTQLQIEISA-N 296.773 3.900 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1NC(C)(C)C 276580603 MCMJSMJUBPABCQ-UHFFFAOYSA-N 290.407 3.818 30 20 CHED CC(C)CC1(C(=O)N[C@@H](C#N)C(C)(C)C)CCCC1 464712534 OXYZKJINGHQGTK-ZDUSSCGKSA-N 264.413 3.647 30 20 CHED C=CCCN(C)Cc1csc(CCc2ccccc2)n1 467288607 JCFVYZDDDUJYNU-UHFFFAOYSA-N 286.444 3.936 30 20 CHED C=CCCc1ccccc1NC(=O)c1cn(CC)nc1C 626908342 BFZJIWWFISAEHV-UHFFFAOYSA-N 283.375 3.582 30 20 CHED CC(C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 540972435 ZKVLVLRIDGWWQE-NXEZZACHSA-N 297.185 3.515 30 20 CHED CCCN(Cc1ccc(F)cc1)C(=O)[C@](C)(C#N)CC 285353121 HJVFICYCXSUSIW-INIZCTEOSA-N 276.355 3.504 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCCc2nc(C)sc21 281488872 GEYDKRHFWZVNQP-YPMHNXCESA-N 250.411 3.773 30 20 CHED C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCCCC#N 281414909 ZMLAZSSUQOTEKT-LBPRGKRZSA-N 284.325 3.920 30 20 CHED C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CCC 460782308 MCXXTOMFEBFXRW-AWEZNQCLSA-N 299.422 3.541 30 20 CHED Cc1n[nH]cc1C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 375363352 SKEMFDAAFHNJOK-AWEZNQCLSA-N 294.402 3.530 30 20 CHED CCc1ccc([C@H]2CCCN(C(=O)C(C)(C)C#N)C2)cc1 286382588 DWPJVXRDDGZHJP-INIZCTEOSA-N 284.403 3.505 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)CCSCC 466376479 IWWSMGPWYRWVDE-CHWSQXEVSA-N 272.458 3.514 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)NCC(C)(C)CCC#N 557999391 DETYEIZAWZNBAC-KGLIPLIRSA-N 264.413 3.649 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(N2CCOC2=O)cc1 281823715 ZSLYEAURDOUJFY-HIFRSBDPSA-N 288.391 3.649 30 20 CHED CO[C@@](C)(CNc1cc(C#N)ccc1C(F)(F)F)C1CC1 461867294 PLELTUFOYGJBBP-AWEZNQCLSA-N 298.308 3.804 30 20 CHED CCCOc1cc(C)ccc1CN[C@H]1CCC[C@@H](C#N)C1 463239318 XSAFDTACWGCSIK-WBVHZDCISA-N 286.419 3.956 30 20 CHED C[C@H](C#N)CNC(=O)c1ccc(C(C)(C)C)c(Cl)c1 558541292 XCXWVVBSQRCLLN-SNVBAGLBSA-N 278.783 3.527 30 20 CHED C=CCCN(C)c1cc(C#N)ccc1C(F)(F)F 466384154 VRAFATKPGWUTML-UHFFFAOYSA-N 254.255 3.589 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cnc(-c2ccccc2)s1 552124781 NOZLNLLURLWLFD-HNNXBMFYSA-N 285.372 3.688 30 20 CHED C=CCC[C@@H](NC[C@H](CCC)CCO)c1ccco1 286209856 RZDPSFSBJHGLAZ-HUUCEWRRSA-N 265.397 3.675 30 20 CHED CCCCOc1c(Br)cccc1CC#N 550842600 QNDLAYGLJLWMAO-UHFFFAOYSA-N 268.154 3.694 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc(C#N)cc1 559713748 VUIVWVTXIGESOY-KRWDZBQOSA-N 292.382 3.790 30 20 CHED C[C@@H](/N=C/c1ccccc1O)[C@@H]1OCCc2sccc21 292192141 ZBQZGRQRHGYYPY-RIWWXLNISA-N 287.384 3.575 30 20 CHED CC(C)(C)N(Cc1ccccc1)CC1(CC#N)CC1 1168019010 WAFDUTIPZHAOBK-UHFFFAOYSA-N 256.393 3.981 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](C)c1cccc(O)c1 806793421 KFAHRWFSYTYSBV-AWEZNQCLSA-N 290.407 3.889 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1ccccc1)C2=O 809156091 IWASJNDSOCGGMH-FMIVXFBMSA-N 268.287 3.657 30 20 CHED CC(C)C1(NCc2cc(C#N)ccc2Br)CC1 555618577 RLTOADOORZWZEH-UHFFFAOYSA-N 293.208 3.599 30 20 CHED C[C@H]1C[C@H](CCNC(=O)C2(C#N)CCC2)CC(C)(C)C1 470165643 NQIRXMMTCAZABE-KBPBESRZSA-N 276.424 3.649 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(OC)cs2)CCCC1(C)C 470302044 CUAXPDSAJKEYRQ-CQSZACIVSA-N 293.432 3.964 30 20 CHED C/C=C\c1ccc(NC(=O)c2ccc(C#N)s2)cc1 561651156 OCLUHVIZTKCIHG-IHWYPQMZSA-N 268.341 3.905 30 20 CHED CC1(C)CCC(CC(=O)OCCCSCC#N)CC1 805515214 IJPRNTBEFRMCSR-UHFFFAOYSA-N 283.437 3.783 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C)cc1OCCC 299262003 DNTDILVZJPECFF-CQSZACIVSA-N 291.391 3.704 30 20 CHED CCCn1cccc1C=NNc1ccc([N+](=O)[O-])cc1C 807991469 XQTIDOGSAQEZFD-UHFFFAOYSA-N 286.335 3.561 30 20 CHED C=CCC[C@H](CC)Nc1cccc(OC(=O)NC)c1 292696106 BVISIYQERMTHNY-LBPRGKRZSA-N 262.353 3.562 30 20 CHED C=CCCCCNC(=O)N(C1CC1)[C@@H](C)C(C)C 474091536 XGYROMKKLWCMCB-ZDUSSCGKSA-N 252.402 3.561 30 20 CHED CCCCCCCC(=O)NCc1oc(CCC)nc1C 294054066 GJXKAESZOREWHS-UHFFFAOYSA-N 280.412 3.912 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)o1 295998431 KUEFQFWSQRAMSC-MRXNPFEDSA-N 288.297 3.597 30 20 CHED CC#CCN(C)C(=O)Nc1ccccc1SC(C)C 296706534 VGXGSSGGKXIUFR-UHFFFAOYSA-N 276.405 3.674 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](C)c1nnc(C)s1 298250549 UCIKNZBJUJDEJS-NSHDSACASA-N 291.395 3.735 30 20 CHED C=C(CNC(=O)NCc1ccc(C)c(F)c1)c1ccccc1 476796530 WLCVDQICMPZHCE-UHFFFAOYSA-N 298.361 3.647 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1cccc(C)c1C 568543720 QSRPWEHCZLFHSO-QGZVFWFLSA-N 259.393 3.864 30 20 CHED C/C=C/c1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 561344556 SHWKLKHJQDLRCX-NSCUHMNNSA-N 276.339 3.773 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)N1CCC(CCC#N)CC1 563044483 QBDDZCMHEVGNHR-JKSUJKDBSA-N 291.439 3.538 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(CC(C)(C)C#N)n1 560049764 ZMBJLYLQUAFJMD-VXGBXAGGSA-N 261.369 3.846 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H](C)C1 809853047 YCAUVJAYXSHISV-CQSZACIVSA-N 252.402 3.564 30 20 CHED C=CCC(C)(C)c1noc(C(F)(F)c2ncccc2C)n1 560026296 GVGCMHDQCOCOPB-UHFFFAOYSA-N 293.317 3.767 30 20 CHED N#Cc1ccc(C(=O)N2CCC3(CCCCC3)CC2)s1 487754327 WTZBJRHJEAXJCD-UHFFFAOYSA-N 288.416 3.806 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(F)c(F)cc(F)c1F 489913539 ZHLOPJBXEFRDFZ-UHFFFAOYSA-N 289.272 3.575 30 20 CHED CCOc1ccc(NN=Cc2ccc(F)c(F)c2)cc1 814984807 IYQICCXNUISMJH-UHFFFAOYSA-N 276.286 3.810 30 20 CHED Fc1ccc(C(C[C@H]2CCCO2)=NOC2CCC2)cc1 812235040 JCEACWZVHTVLGP-OAHLLOKOSA-N 277.339 3.668 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2cccc3cc[nH]c23)ccc1F 814904583 PXQFGCVUHQKBJW-UHFFFAOYSA-N 298.277 3.661 30 20 CHED Cc1cc(CN(C)[C@H](C)c2cccc(O)c2)ccc1C#N 488233391 QNCQGCGLHARJRO-CQSZACIVSA-N 280.371 3.765 30 20 CHED Cc1cc(C#N)cnc1C(=O)OC[C@@H]1CCCC(C)(C)C1 815991272 XBMPOCBWXSMZLX-CYBMUJFWSA-N 286.375 3.635 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 488567981 AOHXLWCZDHJLRH-SFHVURJKSA-N 294.398 3.960 30 20 CHED C=CCCCCCCNC(=O)N1CCC(F)(F)[C@H](C)C1 811917771 JYVZIPDNWZZVLT-CYBMUJFWSA-N 288.382 3.810 30 20 CHED CC1(COC(=O)/C=C/c2ccccc2C#N)C[C@@H]2C[C@@H]2C1 816135007 PMUAAKIRNHBMQY-FZNMQLMISA-N 281.355 3.551 30 20 CHED CCCCCCCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 814161322 MYORGDOUYUGVRE-INIZCTEOSA-N 294.483 3.680 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)CCc1cccc(F)c1 488879989 KXWRZNMJUGEVKO-PBHICJAKSA-N 289.394 3.962 30 20 CHED FC(F)(F)CCON=Cc1cccc(C2CC2)c1 817327510 KGUKJSKJLHTMDW-UHFFFAOYSA-N 257.255 3.867 30 20 CHED CCC(=NOC/C=C/Cl)c1ccc(OC)cc1 811672112 QDRICEVVJHMCNI-NINLSGLRSA-N 253.729 3.578 30 20 CHED Cl/C=C\CON=C1CCC[C@H](c2cccnc2)C1 811672067 PCAMBFNUFKRBRT-YNJWHJHVSA-N 264.756 3.864 30 20 CHED C=CCN(Cc1nc(C(C)(C)C)no1)CC1CCCCC1 484573992 ZDVUIFUMRCFMKI-UHFFFAOYSA-N 291.439 3.935 30 20 CHED CCCCCCCC(=O)NC[C@@H](O)c1ccc(Cl)cc1 817060929 DVQWHDAQMBGKER-OAHLLOKOSA-N 297.826 3.850 30 20 CHED CCc1c(N=c2ccc(C#N)c(C)[nH]2)cnn1C(CC)CC 487734122 SJDCBWKUHCAVDR-UHFFFAOYSA-N 297.406 3.547 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 488887970 XOLITGVUCQNYSN-VQHPVUNQSA-N 293.451 3.927 30 20 CHED CC(C)(C(=O)N[C@H](C#N)C(C)(C)C)C1CCCCC1 813284013 LJMPVFVGXKTOAF-CYBMUJFWSA-N 264.413 3.647 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)c1cccnc1C#N 571339364 YOZWYEKXXIQXQF-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C#Cc1cccc(NC(=S)NC[C@H]2CCCC[C@@H]2C)c1 726478333 FHMOMWCDUODOBY-DZGCQCFKSA-N 286.444 3.781 30 20 CHED C=CCOc1cccc(NC(=O)c2cn(C(C)C)nc2C)c1 577883583 DHOLPSNDPDCYJR-UHFFFAOYSA-N 299.374 3.590 30 20 CHED Cn1c(NN=Cc2cccc(Cl)c2)nc2ccccc21 728776719 SXTRVRQMHCNYSP-UHFFFAOYSA-N 284.750 3.673 30 20 CHED C#C[C@H](N[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 491689912 KXQZZSLXQJWRJO-WFASDCNBSA-N 270.763 3.760 30 20 CHED C(=NNCCCc1ccccc1)C1=Cc2ccccc2OC1 729146425 WNRGWGGWORUPSE-UHFFFAOYSA-N 292.382 3.671 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@H]2CCCCC(F)(F)C2)C1 495004301 LLYKPOMEDLQEPC-HZSPNIEDSA-N 270.367 3.874 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(N=S(C)(C)=O)c1 822353956 NEWWGYMXHMKPOR-GFCCVEGCSA-N 294.420 3.587 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(NC(=O)COC)cc1 823524297 VRPHGDYGYIKOMQ-CQSZACIVSA-N 290.407 3.818 30 20 CHED CC(C)(C)[C@H]1CCCN1CCCOc1ccc(C#N)cc1 729474881 OXVQABYZWFZRAL-QGZVFWFLSA-N 286.419 3.838 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CCCCC(C)(C)C 587088733 TZVDLCYMQUSFNK-ZDUSSCGKSA-N 252.402 3.647 30 20 CHED C=CC[C@H](C)N[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 495038617 AUPAPHUUIBREQO-VBQJREDUSA-N 277.383 3.848 30 20 CHED CC(C)(CC(=O)N(CCC#N)c1ccc(F)cc1)C1CC1 580727999 AHTRKKAUDYEJKD-UHFFFAOYSA-N 288.366 3.899 30 20 CHED C=C(C)[C@H](NC/C=C\Cl)c1ccc(F)c(F)c1 588513356 WPLNFSYIFNSTSK-RJNRQISESA-N 257.711 3.924 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)CCCC(C)C 492046508 NDCQTTIKZNOIOD-CABCVRRESA-N 266.429 3.951 30 20 CHED C=CCCC[C@@H](NCc1ccc(CCC)cc1)C(=O)O 900068478 JDMMGLHMQFVEQD-MRXNPFEDSA-N 275.392 3.538 30 20 CHED Cc1c(N)cccc1C(=O)OCCCCC1(C#N)CCC1 908991302 QQSIHDPZSHUWBD-UHFFFAOYSA-N 286.375 3.598 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(F)cc2C)cc1 588419503 QLZKNFGFPTZNEO-POHAHGRESA-N 297.329 3.989 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)c2cccc(C#N)c2)CC1 902795730 JGGIREKDKQAFIS-IBGZPJMESA-N 297.446 3.639 30 20 CHED CC(C)NC(=S)Nc1cccc(C#Cc2ccccc2)c1 909547919 NWJAKIHWJYFLCQ-UHFFFAOYSA-N 294.423 3.781 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cnn(C(C)C)c1 732713593 CWMHJUNCKIRRMU-DAXSKMNVSA-N 272.323 3.808 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cc(F)ccc2C)no1 903639693 BQVHFZGFUIFWDD-JSGCOSHPSA-N 288.322 3.633 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C#CC2CC2)cc1 837439419 FYZQXYFUAUSBBQ-ROUUACIJSA-N 281.399 3.503 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2ccc(Cl)s2)C1 839057895 IJSIWBWGWPLRSB-NXEZZACHSA-N 283.780 3.570 30 20 CHED C=C(C)CN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC 582681983 YBKFKKWAJALJTM-BBWFWOEESA-N 259.393 3.503 30 20 CHED C=CCC1(C(=O)OCc2cnc(C)s2)CCCC1 835096685 CGQAUCFWTYZSPK-UHFFFAOYSA-N 265.378 3.631 30 20 CHED Cc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 734301636 JDRJLSCXJUVSGL-UHFFFAOYSA-N 264.250 3.858 30 20 CHED CC(C)c1occc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839059409 PIRJCWGBQSZJMK-RYUDHWBXSA-N 261.321 3.642 30 20 CHED Cc1cc(C(=O)Nc2scc(C)c2C#N)c(C)s1 589034793 GMZOAXSVTYAGJW-UHFFFAOYSA-N 276.386 3.859 30 20 CHED CC(C)c1ccc(-c2noc(CON=C3CCC3)n2)cc1 735489898 IWMMOTDVPMALEH-UHFFFAOYSA-N 285.347 3.917 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(F)cc(F)c2)n1 581243624 POVIFGBFNBCVKK-UHFFFAOYSA-N 264.275 3.869 30 20 CHED CC#CCCCc1nc(CSCc2ccccc2)no1 581633212 GRNNKIODHRSZAA-UHFFFAOYSA-N 286.400 3.849 30 20 CHED COCC(CC(C)C)=NNc1cccc(C(F)(F)F)n1 739422220 RWMOJAAIVMLPSO-UHFFFAOYSA-N 289.301 3.561 30 20 CHED C#Cc1cccc(CN[C@H](CC)c2ccc3c(c2)CCO3)c1 834902050 DAPGFXSUCWCITK-LJQANCHMSA-N 291.394 3.844 30 20 CHED CCCN(C(=O)Nc1cccc(C#N)c1C)C(C)C 583880319 UHRGFOBBHFEZIG-UHFFFAOYSA-N 259.353 3.519 30 20 CHED CCc1cc(NN=C2CCC[C@H]2C)nc(-c2ccccn2)n1 730464171 JDFWGFKONFXJEI-GFCCVEGCSA-N 295.390 3.689 30 20 CHED CC(C)(C(=O)O[C@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 839054457 OJDWDNLXDVDGJN-WFASDCNBSA-N 289.350 3.729 30 20 CHED CCCC(CCC)C(=O)O[C@H]1CCC[C@H](C#N)C1 839057679 UIFWIMWZAJXLNN-JSGCOSHPSA-N 251.370 3.828 30 20 CHED CC1(CSCCC2(C#N)CCCCC2)COC1 596415771 WTSWYASUPYYEKO-UHFFFAOYSA-N 253.411 3.620 30 20 CHED C=CCC1(C(=O)OC[C@@H]2CCC[C@H](O)C2)CCCCC1 838153122 BRKGCDOFNUHFAJ-CABCVRRESA-N 280.408 3.607 30 20 CHED N#CC1(CSc2nc3cc(Cl)cnc3[nH]2)CCCC1 915478432 RMGQJJXXEBQPLJ-UHFFFAOYSA-N 292.795 3.787 30 20 CHED CCCOc1ccc(C=NNc2ccc(C#N)cc2)cc1 915962937 RDALYEDOYQLECZ-UHFFFAOYSA-N 279.343 3.793 30 20 CHED C/C(=C(\F)C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CC1 911313811 SKFPFQSQYJJJGF-PILJQMSFSA-N 286.350 3.731 30 20 CHED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1cccs1 596657306 OQOZHNSTTYBXNW-GFCCVEGCSA-N 276.405 3.789 30 20 CHED CC(C)(C#N)C[C@H](O)CN[C@H]1CCC[C@@H](C(C)(C)C)CC1 598724100 MITGHXAQKPHPML-PMPSAXMXSA-N 294.483 3.872 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)c1ccccc1C(F)(F)F 742079708 KRQAUYBWXNLIBC-SECBINFHSA-N 291.700 3.678 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2cccnn2)cc1 741842250 IDAAHVAVQSMFSD-CQSZACIVSA-N 266.348 3.521 30 20 CHED COCC(=NNc1ccc(C(F)(F)F)cc1)C(C)C 746577557 GZODSXODWLAQQF-UHFFFAOYSA-N 274.286 3.776 30 20 CHED C=CCN(C(=S)Nc1c(C)cccc1C)C(C)C 917589374 SVZLKAIUKZGZBA-UHFFFAOYSA-N 262.422 3.897 30 20 CHED CC[C@@](C)(OC)c1noc([C@@H](C)Cc2ccc(C#N)cc2)n1 594531445 RUAVPIWUVJENAH-YVEFUNNKSA-N 299.374 3.559 30 20 CHED CO[C@]1(C)CC(=NNc2nc3ccccc3s2)C1(C)C 746557413 CTUWSDRQHHRAGR-OAHLLOKOSA-N 289.404 3.899 30 20 CHED CCc1ccc(C(C)=NOCc2cccnc2)cc1 746587305 ASNMMFGOUDDEFA-UHFFFAOYSA-N 254.333 3.585 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)C1CCC(F)(F)CC1 597654843 YAGAXPPXXPNMJP-UHFFFAOYSA-N 298.377 3.887 30 20 CHED CC1(C)Cc2cc(CN3CCC[C@@H](CC#N)C3)ccc2O1 597174451 QVYGSVJHQFCSRW-AWEZNQCLSA-N 284.403 3.526 30 20 CHED C[C@@H](Cc1ccccc1Cl)/N=C\c1cccc(O)c1O 915980026 WRQOFJNTMLBMTO-TZQXVGBESA-N 289.762 3.801 30 20 CHED C[C@H](OC(=O)c1c(F)cccc1F)c1ccc(C#N)cc1 748677091 IPOJIDKEGXTYDW-JTQLQIEISA-N 287.265 3.754 30 20 CHED Cc1ccc(CCN[C@H]2CCC[C@H](C#N)C2)cc1C 595073288 RLNTVASZZXDVBZ-IRXDYDNUSA-N 256.393 3.518 30 20 CHED C#CCOc1ccc(NC(=O)N[C@@H](C)C[C@H](C)CC)cc1 743152575 ZZMASRVITNMGHJ-KGLIPLIRSA-N 288.391 3.645 30 20 CHED C=CCCCC(=O)OCC(=O)Nc1sc(C)c(C)c1C 748233876 KQPJDLOIFJZVRG-UHFFFAOYSA-N 295.404 3.511 30 20 CHED N#CC1(CCOC(=O)/C=C\c2cccc(O)c2)CCCCC1 840273447 QOGAIGLJJIHBEA-FPLPWBNLSA-N 299.370 3.813 30 20 CHED N#C[C@H](C(=O)CCC1CCC1)c1nc(C2CC2)cs1 842941697 SUPHPXMQNPZWEA-GFCCVEGCSA-N 274.389 3.777 30 20 CHED COc1ccc(-c2ccc(C[C@H](O)C3CC3)cc2)cc1C#N 596636607 OJSZIIOLCSMFFC-SFHVURJKSA-N 293.366 3.547 30 20 CHED C=C[C@@H](C)ON=C[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 844621172 VIQABOUZHOHGPK-TZMCWYRMSA-N 296.411 3.647 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@H](C2CCC2)C1)c1ccccc1 840332137 JCZVFUZTMVNGGS-ZWKOTPCHSA-N 296.414 3.583 30 20 CHED N#C[C@H](C(=O)C=C1CCCC1)c1nc(C2CC2)cs1 842943241 UCGSLVOGTOJJNV-GFCCVEGCSA-N 272.373 3.697 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)cc1 849240591 QFQKLZFCEYDHRS-MDZDMXLPSA-N 266.344 3.502 30 20 CHED CC#CCOC(=O)c1ccc(COc2ccc(C)cc2C)o1 744846570 KXKYXLXXMCIVKX-UHFFFAOYSA-N 298.338 3.656 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(Oc2ccccc2)cc1 754394417 ZLCJZWKZKDOULY-HNNXBMFYSA-N 279.339 3.621 30 20 CHED C=CCN(C)C(=O)Nc1ccc(F)cc1OC1CCCC1 681774351 VYMWHNNCTDYHMU-UHFFFAOYSA-N 292.354 3.797 30 20 CHED C#CCCCC(=O)N[C@@H](CCCCC)C(C)(C)C 758367226 IMTUPOBPCPSOCT-AWEZNQCLSA-N 251.414 3.901 30 20 CHED C=CC[C@H](C)NC(=O)/C=C/c1ccc(SC)s1 859442273 JENFSLYXCYXIEV-PCGIRMHASA-N 267.419 3.564 30 20 CHED C=CCCN(C)C(=O)c1cc2c(C)cc(C)nc2s1 682438472 FPTBPAXUNICUGS-UHFFFAOYSA-N 274.389 3.561 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)Cc2c(F)cc(F)cc21 751536355 PIZBXSAXBGVINY-BJMVGYQFSA-N 274.241 3.926 30 20 CHED CCn1nccc1/C=C1\CCCc2ccccc2C1=O 753712531 BADDLIFVZFQIDB-WYMLVPIESA-N 266.344 3.506 30 20 CHED C=CCCCC[C@@H](C)NCc1cc(C2CC2)n(C)n1 927108632 RVJUJLGEXSDKHK-CYBMUJFWSA-N 261.413 3.522 30 20 CHED C=CCCN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 755981994 VRLPCYVRGCSMLT-ZWKOTPCHSA-N 273.420 3.931 30 20 CHED CN(C)C1(C/N=C\c2cc(Cl)ccc2O)CCCCC1 920944778 KKZKBVNNPYEFRU-WQRHYEAKSA-N 294.826 3.729 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CCC[C@@H]1c1ccccc1 759207404 WVSAJCPAAZGSBO-CYBMUJFWSA-N 296.330 3.725 30 20 CHED N#Cc1cccc(COC(=O)/C=C/SCc2ccco2)c1 759844131 ZHBADIXAPQTEKH-SOFGYWHQSA-N 299.351 3.642 30 20 CHED C#CC[C@@H](CCOC)Nc1ncc(-c2ccccc2)s1 858856960 JIMNUUUEOABVRM-AWEZNQCLSA-N 286.400 3.650 30 20 CHED Cc1ccc(C)c(CC(=O)OCc2cc(F)ccc2C#N)c1 759364711 HRVPQRDGWIEOFX-UHFFFAOYSA-N 297.329 3.600 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1nc(Cl)c(C#N)s1 857618677 ZSNFVXPMLZULKS-LLVKDONJSA-N 289.763 3.525 30 20 CHED C#CCN(C(=O)N[C@H]1CCC[C@@H]1CC)C1CCCCC1 757284765 WNLRHDJBKRAWTH-HOCLYGCPSA-N 276.424 3.543 30 20 CHED CO[C@@H](C=NNc1cc(F)c(F)cc1F)C1CCCC1 853308226 BKIBQSGKQKVMBD-AWEZNQCLSA-N 286.297 3.707 30 20 CHED C=CCOCCN[C@@H](c1cccnc1)c1cc(C)cc(C)c1 926114710 GKUCAOVJCAOZGW-IBGZPJMESA-N 296.414 3.580 30 20 CHED CC(C)c1ncc(C=NN[C@H](C)c2ccccc2)s1 758375263 OTECWQRKISKZAQ-GFCCVEGCSA-N 273.405 3.951 30 20 CHED Cn1cc(C(=O)/C=C/c2cc(Cl)ccc2Cl)cn1 753717524 LRKXUVQNUZFSIB-GORDUTHDSA-N 281.142 3.623 30 20 CHED CCc1noc(C2CCC(=NN3CCCC[C@@H]3C)CC2)n1 853379883 MZBGKOMZTUEKGQ-UEWDXFNNSA-N 290.411 3.520 30 20 CHED Fc1cc(C=NNCc2ccccc2)ccc1OC(F)F 754714471 SYBLXJNSSNNRNJ-UHFFFAOYSA-N 294.276 3.551 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCO[C@@H](C(C)C)C1 933341944 VLDOLKXDRIISIZ-JKSUJKDBSA-N 281.440 3.642 30 20 CHED C[C@@H](Cc1ccccc1Cl)C(=O)Oc1ccc(C#N)cc1 754258180 DCULJRXXSCTPCW-LBPRGKRZSA-N 299.757 3.996 30 20 CHED CC(C)O[C@H]1CCCN(CCCCC2(C#N)CCC2)C1 930848726 LYMACRLPRBGVFZ-INIZCTEOSA-N 278.440 3.740 30 20 CHED COc1ccnc(C(=O)/C=C\c2cnc(C(C)C)s2)c1 863194342 FTCIALBKARNNCI-PLNGDYQASA-N 288.372 3.566 30 20 CHED CC[C@H](CC(=O)[C@@H](C#N)c1ccncn1)c1ccc(C)cc1 760339094 IBFUBZZMWQYYNW-ZBFHGGJFSA-N 293.370 3.545 30 20 CHED C#CCCCC(=O)Nc1cccc(Nc2nc(C)cs2)c1 760145548 MACQVMPXCLLZHB-UHFFFAOYSA-N 299.399 3.937 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(CC)s2)c1 48506868 JSHPXTGCIKUGTP-UHFFFAOYSA-N 255.342 3.544 30 20 CHED CC(C)c1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)n1 762077257 XOZQSZIDLBSJAP-ZDUSSCGKSA-N 294.354 3.995 30 20 CHED CCC(C#N)(CC)C(=O)OCCCc1cccc(F)c1 860197393 BLLSQIMWBZBVJW-UHFFFAOYSA-N 277.339 3.631 30 20 CHED C=C(C)COCCNCc1cc(-c2ccccc2)ccc1O 761986440 MLHPNEXQDTXQIW-UHFFFAOYSA-N 297.398 3.742 30 20 CHED CC(C)CCC(=O)OCc1ccccc1C(C)(C)C#N 767989124 VYYWPFVFSWKILM-UHFFFAOYSA-N 273.376 3.967 30 20 CHED CCC[C@H](C)c1noc(-c2ccc(CC#N)cc2)n1 761845357 GKBBRUZSDZYSOD-NSHDSACASA-N 255.321 3.706 30 20 CHED N#CCCCCNC(=O)/C=C/c1ccccc1C(F)(F)F 865167621 RWEVUMAWGMQVBV-CMDGGOBGSA-N 296.292 3.529 30 20 CHED N#CC1(COC(=O)c2cccc3ccsc23)CCC1 768095861 CLLVHBHFFHQSHM-UHFFFAOYSA-N 271.341 3.752 30 20 CHED CC[C@@]1(C)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 769519138 KZDIERWONQMSPL-YOEHRIQHSA-N 272.392 3.599 30 20 CHED Cc1cccc(OCC(=O)OCCCCC(C)(C)C#N)c1 768370241 VWKMANYXGSHECK-UHFFFAOYSA-N 289.375 3.637 30 20 CHED Fc1ccc(CC=Nn2cnc3ccccc32)c(Cl)c1 766434055 KHHCMESPZYOTET-UHFFFAOYSA-N 287.725 3.905 30 20 CHED Cc1cc(C)c(C=NNc2ccc(Br)cc2)[nH]1 760241956 HEHZFQJEKMSSPM-UHFFFAOYSA-N 292.180 3.840 30 20 CHED CCc1nc2ccccc2n1N=Cc1sccc1C 767364409 ZDSKLMGYICMATM-UHFFFAOYSA-N 269.373 3.851 30 20 CHED CC[C@H](NC1CCC(C)(C#N)CC1)[C@@H](O)c1ccccc1 872132429 HPOPSKJDZNNTBZ-SAGYGOJTSA-N 286.419 3.561 30 20 CHED CCCCCCCCCN1CCC2(CC1)CCN(C)C2=O 773922796 DMIQIQZEZWNMBN-UHFFFAOYSA-N 294.483 3.681 30 20 CHED CCCOc1cccc(C=NOCCC(F)(F)F)c1 777459682 KMHYUJHRWPGCQJ-UHFFFAOYSA-N 275.270 3.778 30 20 CHED Cc1cc(F)cc(C(=O)O[C@@H](C#N)C2CCCCC2)c1 776390814 IIQZNIIZMGGXFK-HNNXBMFYSA-N 275.323 3.763 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1F)C2 777916902 SKMSKPREQRSHKD-MDWZMJQESA-N 297.285 3.865 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@H](CO)C1 775524332 FXYZJQCWKMADIP-SJORKVTESA-N 297.483 3.994 30 20 CHED Cc1cc(F)ccc1C(=O)OCc1ccc(C#N)cc1F 771401554 LFNIMMDGFRTNIL-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCc1ccc(C(=O)N(CC#N)c2ccccc2)cc1CC 1116468685 OTDSJOGXGDFZKK-UHFFFAOYSA-N 292.382 3.982 30 20 CHED C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 774147455 KQMDYIPDAAXUNB-XJKCOSOUSA-N 260.356 3.601 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2C)s1 1533805813 KUYGUWBGMCSALV-UHFFFAOYSA-N 270.357 3.797 30 20 CHED C#CC[C@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccccc1 775401537 UKAWWPBLASHFNP-ZWKOTPCHSA-N 299.801 3.728 30 20 CHED CC(C)(C)c1ccc(C2(C(=O)OCC3(C#N)CC3)CC2)cc1 1116473403 OZCNYRUUYVZYLC-UHFFFAOYSA-N 297.398 3.863 30 20 CHED CCC(CC)CC(=O)O[C@@H](C#N)C1CCCCC1 776397549 OXVVWSQNTGJCSW-AWEZNQCLSA-N 251.370 3.828 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)[C@@H](C)CC)c1 779914866 IQCXKCIBXCEKMN-KBPBESRZSA-N 257.377 3.703 30 20 CHED C#CCCCCCC(=O)Nc1cccc(C(=O)CC)c1 779938761 RNERHIAICPVOCH-UHFFFAOYSA-N 271.360 3.802 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(-c2ccccc2OC)[nH]n1 878521826 FFEZCCGIDVYUBR-UHFFFAOYSA-N 299.374 3.626 30 20 CHED C=C(CC)CONC(=N)c1cccc(C(F)(F)F)c1 773186589 VYZAIMBAYUQMMX-UHFFFAOYSA-N 272.270 3.518 30 20 CHED CC(C)CCN(CCC#N)c1ccc([N+](=O)[O-])cc1F 771925394 KBSGGFBTVKKBBJ-UHFFFAOYSA-N 279.315 3.500 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](F)Cc1ccccc1 1120814163 XUKAYDFHWOQFPF-HZPDHXFCSA-N 275.367 3.524 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C)c(N2CCCC2)c1 881008707 WQBAIJDOSPTXDN-UHFFFAOYSA-N 299.418 3.801 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1ccc(F)cc1O 782347657 MBTFSDTVKOJKQZ-KXFIGUGUSA-N 293.297 3.976 30 20 CHED C/C=C(/CC)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 789664854 VVOMCWSDHSCATI-WCIBSUBMSA-N 276.767 3.921 30 20 CHED C(CC1CCOCC1)=NNc1nccc2sccc12 788714165 CWQQINVZCSZLOP-UHFFFAOYSA-N 275.377 3.511 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NNc1ccccn1 788700281 KVUVWLTZXIRECI-UHFFFAOYSA-N 281.359 3.588 30 20 CHED Cc1cc(C=NNc2ccccc2Br)sn1 785453650 QIAUNGWTKJXXJL-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CC[C@@H](C#N)OC(=O)CCC[C@H](C)c1cccc(OC)c1 789045577 DDMJBPGGGXGYDM-ZFWWWQNUSA-N 289.375 3.814 30 20 CHED CC(C)(C#N)CCCOC(=O)c1c(F)cccc1Cl 782023303 OZCXMWHCUWLDLR-UHFFFAOYSA-N 283.730 3.966 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CC23CCCC3)c(Cl)c1 784230374 LMABDQVRNCOEAZ-ZDUSSCGKSA-N 289.762 3.835 30 20 CHED CCOc1ccc(C(=O)/C=C/c2c(C)noc2CC)cc1 899340917 OUHOJTPUVYRZIK-ZHACJKMWSA-N 285.343 3.840 30 20 CHED N#CCCCNC(=S)Nc1ccc(Cl)c(Cl)c1 783758642 YNRNPNODBHPRPI-UHFFFAOYSA-N 288.203 3.584 30 20 CHED Cc1cc(C)cc(NCc2ccc(F)c(C#N)c2)c1 83399077 XNKJZCRLHZZILA-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc3c(c2)C[C@@H](C)O3)cn1 899350920 UCQPIYTVUAXJRC-RYWCDNDXSA-N 296.370 3.684 30 20 CHED C=CCCCCCOC(=O)c1cc(F)cnc1Cl 784464891 KVBKSEDXBUPRTE-UHFFFAOYSA-N 271.719 3.777 30 20 CHED C[C@H](C=NNc1ncccn1)c1ccc(C(F)(F)F)cc1 788990905 BXPCWEYFDKREHJ-SNVBAGLBSA-N 294.280 3.697 30 20 CHED Cc1cc(Cl)cc(C)c1C=NN1Cc2ccccc2C1=O 781595630 WDWXNHQBTRDHJJ-UHFFFAOYSA-N 298.773 3.947 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cn(C)nc1C1CC1 899344697 WDPRYEXSWCHZAD-BQYQJAHWSA-N 296.370 3.511 30 20 CHED Cc1ccc2cc(C=Nn3cnc4ccccc43)ccc2n1 783514420 NDSNVUQEZZDWEK-UHFFFAOYSA-N 286.338 3.775 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H]1CCOc2ccccc21 786636307 DEKQIUWUXKJXCF-GOEBONIOSA-N 260.333 3.656 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(F)cc1F 785106246 DEAGZHWMUJQCOY-SECBINFHSA-N 267.275 3.509 30 20 CHED CC[C@H]1CCCC1=NNc1cccc(F)c1[N+](=O)[O-] 790307343 WUQHQLDILUNAGS-VIFPVBQESA-N 265.288 3.712 30 20 CHED C#CCCCCCC(=O)N(C)Cc1cccc(C)c1C 794581036 XMFKNFAIIUXLDX-UHFFFAOYSA-N 271.404 3.846 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1cccc(Cl)n1 793181050 HLMUDHRPVYSQOT-UHFFFAOYSA-N 289.791 3.965 30 20 CHED N#Cc1ccc(C(=O)OCC[C@@H]2CCCc3ccccc32)o1 797087586 YTHIMGGLYPMTFF-AWEZNQCLSA-N 295.338 3.818 30 20 CHED C=C1CCC(C(=O)N2CCC[C@H](CC(F)(F)F)C2)CC1 897994000 WFXNYHTXKOYEQZ-GFCCVEGCSA-N 289.341 3.924 30 20 CHED CCCCOc1ccc(C(C)=NOCCCOC)cc1 795050374 BEDVSHSOXWHLDD-UHFFFAOYSA-N 279.380 3.643 30 20 CHED CN(C)c1ccccc1CNN=C/C=C/c1ccccc1 794952793 WHPIQQCCPWCVJH-IBGHGUAHSA-N 279.387 3.541 30 20 CHED COc1ccccc1CON=C1CCCc2ccc(O)cc21 799116738 DEZNWWHVCNTROA-UHFFFAOYSA-N 297.354 3.658 30 20 CHED COCc1cccc(/C=C2/COc3cc(F)ccc3C2=O)c1 794728447 QAIBZFVUTMYSRV-ZSOIEALJSA-N 298.313 3.631 30 20 CHED COc1cccc(-c2noc(-c3ccc(C)c(C#N)c3)n2)c1 799760383 IGIRKFHGIXAYKO-UHFFFAOYSA-N 291.310 3.592 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 796773499 BPTOYIZGMWSUHH-YNEHKIRRSA-N 273.332 3.667 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1cc(C)c(C)o1 799867476 JYDWKKLLZFECDR-UHFFFAOYSA-N 268.320 3.609 30 20 CHED C[C@@H](OC(=O)[C@H]1Cc2ccc(F)cc21)c1ccc(C#N)cc1 796065633 OEGPKXYQRLDQFJ-DIFFPNOSSA-N 295.313 3.641 30 20 CHED C[C@@H](NCC(C1CC1)C1CC1)c1ccc(C#N)cc1 88455374 VXZZIZHLCLTXIR-GFCCVEGCSA-N 254.377 3.645 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1nc(C#N)c(Cl)s1 1306981077 CDXYGKMPHLBQFT-FZMZJTMJSA-N 289.791 3.810 30 20 CHED CC[C@@H](Sc1cccc(F)c1C#N)C(=O)OC(C)(C)C 1307351159 NNAAZQOXWREWMG-GFCCVEGCSA-N 295.379 3.910 30 20 CHED N#CCOc1ccc(CSc2ccc3c(c2)CCO3)cc1 1307355991 ZHLPINRPDGLRAH-UHFFFAOYSA-N 297.379 3.816 30 20 CHED Cc1cccc([C@@H](N=c2cc[nH]c(C#N)c2)C(C)(C)C)c1 1307069508 XRCKKRZJQTVYIH-QGZVFWFLSA-N 279.387 3.883 30 20 CHED CCCN(CCCC1CC1)Cc1ccc(C#N)cc1 1307414387 JKAJRBQMDNQAKP-UHFFFAOYSA-N 256.393 3.960 30 20 CHED C=C(Cl)CNC(=O)NCC1CC(C)(C)CC(C)(C)C1 1312979561 VYCNRFJPTNQNNK-UHFFFAOYSA-N 286.847 3.891 30 20 CHED Cc1ccc(C[C@H](C)Nc2cccc(C#N)c2)cc1 1652080623 UITPOBVDKCUQHJ-AWEZNQCLSA-N 250.345 3.910 30 20 CHED CC(C)[C@@H](CNC(=O)c1csc(C#N)c1)c1ccccc1 1324351769 KKQCMQFSHBWVHS-MRXNPFEDSA-N 298.411 3.789 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H](C)c1ccc(F)cc1 1321237137 JKXFPOJPANINSA-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C[C@@H]1CCC[C@@]1(C)c1nnc(-c2ccc(C#N)cc2)o1 1327866710 SQUBQJFVSOAGHF-BDJLRTHQSA-N 267.332 3.686 30 20 CHED CCCCCCCCNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C 1323008047 YTPIXVRLQFMMMX-ZDUSSCGKSA-N 293.455 3.682 30 20 CHED C=C(CC)COC(=O)[C@H]1Cc2ccc(C)cc2S1 1323408462 KJZQCHDVPRSQGY-CQSZACIVSA-N 262.374 3.521 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1322569783 GOWCFCFPQISVEO-ZNMIVQPWSA-N 264.413 3.563 30 20 CHED C=CCCO[C@@H](C)c1nnc(CCc2ccccc2)o1 1257938146 VWRIEGHKJQBJPE-ZDUSSCGKSA-N 272.348 3.509 30 20 CHED Cc1nc(SCc2ccc(C#N)s2)sc1C 1261553236 UMQWAAFBBRWJCU-UHFFFAOYSA-N 266.416 3.985 30 20 CHED C=C1CCC(C(=O)N(C)c2cccc3c2CCCN3)CC1 1262622443 UKKYCMFFXOEMCA-UHFFFAOYSA-N 284.403 3.754 30 20 CHED Cc1c(C#N)cccc1C(=O)Oc1cccc2[nH]ccc12 1344035460 NDKSAHLNVVELDI-UHFFFAOYSA-N 276.295 3.567 30 20 CHED N#CCc1cccc(NCCCSc2ccccc2)n1 1342843764 QNNMIPQIZPBPCX-UHFFFAOYSA-N 283.400 3.742 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 1346312026 MDSIPODLCROSTO-OAHLLOKOSA-N 269.348 3.521 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CC/C=C/c1ccccc1 1349908149 XBJCIDMPEKPPRB-RCLKMUNOSA-N 270.376 3.631 30 20 CHED CC(F)(F)C1(C(=O)OCCC(F)(F)C(F)(F)F)CC1 1344307225 PEMOEKUBBIKQBX-UHFFFAOYSA-N 296.182 3.553 30 20 CHED CC[C@H](C(=O)N(C)c1ccccc1C#N)c1ccc(F)cc1 1356248487 FEWIGVJPLXUNSW-INIZCTEOSA-N 296.345 3.854 30 20 CHED CCC[C@@H]1CCCCN1Cc1ccc(C#N)cc1F 213404230 OOSFBHBQXXQGKL-OAHLLOKOSA-N 260.356 3.852 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C 1360578204 ZSVWOJMDAMQEIL-BFQNTYOBSA-N 271.360 3.848 30 20 CHED Cc1cc(F)c(C(=O)Nc2cccc(CC#N)c2)c(F)c1 1521754199 BDPFPYMOVQYFDU-UHFFFAOYSA-N 286.281 3.592 30 20 CHED C=CCC[C@@H](OC(=O)c1nccc2occc12)C1CC1 1524756024 OPSXSWJNOJLRHT-CYBMUJFWSA-N 271.316 3.729 30 20 CHED CC(C)(C#N)CC(=O)NCC1CC(C)(C)CC(C)(C)C1 1538545537 SVPHUYRLCQMEBC-UHFFFAOYSA-N 278.440 3.895 30 20 CHED CC1(C)CCC(C)(CNC(=O)NCC2(CC#N)CC2)CC1 1478555909 RVYLROQIEZEBMG-UHFFFAOYSA-N 291.439 3.586 30 20 CHED C[C@H](CC#N)NC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1627603520 TVYCBUPRCKJPDQ-VXGBXAGGSA-N 285.391 3.895 30 20 CHED CCC[C@H]1CCCC[C@H]1CNc1cccc(C#N)n1 1559212205 DSWNLSWQSROYRM-KBPBESRZSA-N 257.381 3.972 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)OC1CCCCC1 1622251911 JOWNWIGJBUUIGG-KRWDZBQOSA-N 298.386 3.995 30 20 CHED CC[C@H](c1ccccc1)N1CCN(CCC(C)(C)C#N)CC1 1559567102 VQONIQDQZDKMOM-GOSISDBHSA-N 299.462 3.695 30 20 CHED Cc1cc(N2CCc3ccc(Cl)cc32)c(C#N)cn1 1639582659 MTOVBNPIQCCFGY-UHFFFAOYSA-N 269.735 3.609 30 20 CHED CCC[C@@H]1CCCN(c2ncc(Cl)c(C)c2C#N)C1 1642412036 JAFDFFWCOHBPSE-GFCCVEGCSA-N 277.799 3.932 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C)c(C)c1C(=O)O 1588440886 VTBXASZRZLPPSK-UHFFFAOYSA-N 287.359 3.524 30 20 CHED C=C(Cl)CN(C)c1ccccc1Br 1659548160 JHJPFZDYFWNBGL-UHFFFAOYSA-N 260.562 3.638 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(C(=O)O)cc1)c1ccccc1 1588721622 QPFMFFTXHWUARB-INIZCTEOSA-N 295.338 3.683 30 20 CHED N#Cc1ccccc1N1CCN(CCCC2CCCC2)CC1 1657150654 PRXBKDVYPBBGAS-UHFFFAOYSA-N 297.446 3.651 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C)cn1 122061456 ATNTYXABGDHFLK-UHFFFAOYSA-N 252.361 3.578 30 20 CHED CC[C@@H](C)[C@@H]1CCC(=NNc2ccccc2C(=O)O)C1 1776030623 XPVCCSJEPMSVDV-VXGBXAGGSA-N 274.364 3.999 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2ccoc2)cc1 134000074 KJADWZSKZSPGNM-CYBMUJFWSA-N 257.333 3.695 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1cccnc1C 1776786978 FHMLGJVUZFQYTR-INIZCTEOSA-N 292.423 3.683 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1csc(C(=O)O)c1)C2 1777455639 HUDUWWXLTGWIAS-XGICHPGQSA-N 284.336 3.577 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1F 14179645 FQTRNVLMZFOGSW-FNORWQNLSA-N 281.286 3.602 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1 169666693 FOPLFWWZIAXVGV-FMIVXFBMSA-N 268.312 3.687 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1cccc(C)c1F 158863954 QFFWRRASIPZNFU-UHFFFAOYSA-N 299.301 3.624 30 20 CHED C=C(C)CNc1ncnc2c1c(C)c(C)n2Cc1ccco1 153540338 VZTAMKUJYIZTGC-UHFFFAOYSA-N 296.374 3.677 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 155534173 FZUXZUFEXSRVEG-INIZCTEOSA-N 270.376 3.599 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Cl)cc1OC(F)F 157912846 YEJYEWNAJANEBH-UHFFFAOYSA-N 290.697 3.591 30 20 CHED C#CCCCCNC(=O)Nc1ccc(CC(F)(F)F)cc1 154812610 YHZVYZSMTATLHU-UHFFFAOYSA-N 298.308 3.716 30 20 CHED C=CC[C@@H](CC)NC1CC(CCNC(=O)OC(C)(C)C)C1 845970371 WGJARNFIGDYIQI-SHARSMKWSA-N 296.455 3.624 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1Br)C1CC1 37072291 HEYPBEDLSCODAH-MRVPVSSYSA-N 265.154 3.531 30 20 CHED CCCC[C@H](CC)CNc1nnc(C)c(C)c1C#N 29525009 XOEPYQGRQXZMJB-ZDUSSCGKSA-N 260.385 3.593 30 20 CHED N#CCc1ccc(NCc2ccc(F)c(F)c2)cc1 35046263 JOPAPFWGVPPQRE-UHFFFAOYSA-N 258.271 3.643 30 20 CHED N#Cc1ccccc1OCc1ccc(Cl)c([N+](=O)[O-])c1 37404075 KVGLIJIVMKEZNK-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C[C@H](N(C)CCCOc1cccc(C#N)c1)C(C)(C)C 42763969 YIDVDPXLKLRQLU-AWEZNQCLSA-N 274.408 3.694 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCCc1cccs1 49524618 WHQPMIVPHNTLRH-UHFFFAOYSA-N 284.384 3.890 30 20 CHED C#CCCCCC(=O)N1CCCCc2ccccc21 180041173 NNPIIOFWUXXFKI-UHFFFAOYSA-N 255.361 3.550 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1cc2ccccc2o1 184920494 JPZMEYCMQKSVBT-LBPRGKRZSA-N 269.344 3.660 30 20 CHED N#Cc1ccccc1OCCSc1ccc(Cl)cn1 70213528 UZYFQKMMIMINKZ-UHFFFAOYSA-N 290.775 3.778 30 20 CHED C=CCCNCc1csc(-c2cccs2)n1 657582859 JSMNZTADVZPLQV-UHFFFAOYSA-N 250.392 3.537 30 20 CHED COc1cc(C#N)ccc1OC[C@H]1CCC[C@H](C)C1 311618169 WUFNRDIUBDHYCZ-JSGCOSHPSA-N 259.349 3.772 30 20 CHED N#CCCN(Cc1ccco1)C[C@@H]1CCCC(F)(F)C1 338313504 KQMXLXKOSPNJNR-CYBMUJFWSA-N 282.334 3.821 30 20 CHED N#Cc1ccc(N2CCC[C@@H]3C[C@@H]32)cc1C(F)(F)F 588065968 GFXDGDWRDCJIHL-RNCFNFMXSA-N 266.266 3.566 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@@H](OC2CCC2)C1 594594286 NCOMIHXYHSWXHD-OAHLLOKOSA-N 290.794 3.750 30 20 CHED Cc1cc(Cl)cc(CNCc2cccc(C#N)c2)c1 395155215 QCPSGMWJPKHOIG-UHFFFAOYSA-N 270.763 3.810 30 20 CHED N#CCCC1CCN(Cc2cccc(Cl)c2F)CC1 399279938 AZFIZOJEJMIJPF-UHFFFAOYSA-N 280.774 3.995 30 20 CHED Cc1ccc(SCC(=O)Nc2ccc(C#N)cc2)c(C)c1 6833878 SJVJYMNFMGIJNR-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)cn1)c1ccc(C)cc1 107879307 PWOMDDGZECHABK-INIZCTEOSA-N 280.327 3.570 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](CC)c1ccccc1 103364490 GGOZRZPZOFXEPZ-HNNXBMFYSA-N 257.377 3.771 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc(F)cc2F)cn1 58465405 SCLHMEUNTATXCC-GQCTYLIASA-N 276.286 3.638 30 20 CHED C[C@H](OC(=O)/C=C/c1ccccc1)c1ccc(C#N)cc1 175781824 GATRILMHRFTCOE-TZIYXEQSSA-N 277.323 3.876 30 20 CHED Cc1cc(CNc2ccccc2SCCC#N)no1 108352773 DGBMLXYQGBDQFD-UHFFFAOYSA-N 273.361 3.601 30 20 CHED CC(C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 110814353 FRYZRXXYLXCNFY-NXEZZACHSA-N 297.185 3.515 30 20 CHED CCCC(=O)Nc1cccc(NCc2ccc(C#N)s2)c1 119597912 QGWNDDWFIXEGIW-UHFFFAOYSA-N 299.399 3.970 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(C)ccc1F 104547606 JAAIMPQGKVPEQM-UHFFFAOYSA-N 290.382 3.926 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCc1nc2ccccc2[nH]1 179789583 HCAIKTFKYDYXNQ-CQSZACIVSA-N 299.418 3.747 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C2CCCC2)n1 177742332 ULYGVUCMGXTTTR-LLVKDONJSA-N 262.378 3.633 30 20 CHED CCc1ccc(CCNCc2cc(C#N)cs2)cc1 177703588 YISPNNKSXLCSIY-UHFFFAOYSA-N 270.401 3.514 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)CCc2ccccc2F)CC1 173314198 WVPYRVSFZSZOJH-AWEZNQCLSA-N 289.394 3.819 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cccc(Cl)n2)cc1 171029249 JISZJOUUMFVQNN-UHFFFAOYSA-N 299.761 3.604 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 170676362 TZKBWLDRCVPKNX-OAHLLOKOSA-N 291.439 3.866 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 408409014 ZHKTYGMWQFVKJF-LSDHHAIUSA-N 288.391 3.794 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(C)c(F)c2)c1C 67428030 WIIDJTCTFKXPAY-CMDGGOBGSA-N 286.350 3.863 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1ccc(OC(F)F)cc1 301514221 JJMDEGNNXXMQDX-SNVBAGLBSA-N 289.285 3.728 30 20 CHED N#Cc1cccc(CNc2c(F)cccc2N2CCCC2)c1 178392607 WYUKMCWIIZJJOI-UHFFFAOYSA-N 295.361 3.910 30 20 CHED CCCCSCC(=O)Nc1sc(C)c(C)c1C#N 23114362 XKMWNXYYBHUWJW-UHFFFAOYSA-N 282.434 3.708 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@H](Cc3ccccc3)C2)cn1 302470468 CSMQQARLQLBMRT-CVEARBPZSA-N 277.371 3.777 30 20 CHED N#CCCCSc1cc2c(cc1Cl)OCCO2 66262694 WLQNCOOGYQYHBN-UHFFFAOYSA-N 269.753 3.507 30 20 CHED C=CCCCC(=O)N[C@H](C)Cc1cc(C)cc(C)c1 175966094 FBZFKOQVQWVOBW-OAHLLOKOSA-N 259.393 3.707 30 20 CHED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1 67346234 DDCJRJJHVBYOND-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=CCCCSCC(=O)N(CC)c1ccccc1 117944489 OUVJPKOKHHNZTQ-UHFFFAOYSA-N 263.406 3.739 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 171319246 SFFMOBSPVIGUNB-KBPBESRZSA-N 299.418 3.667 30 20 CHED C=CCCCC(=O)NC[C@H](C)Sc1ccccc1 176008381 KBFGTYKTIWYYEA-ZDUSSCGKSA-N 263.406 3.640 30 20 CHED Cn1ccc2ccc(Nc3ncc(C#N)cc3Cl)cc21 302682022 SGAXZZWCVIOENZ-UHFFFAOYSA-N 282.734 3.842 30 20 CHED C=CCC[C@@H](NC(=O)Cc1ccccc1O)c1ccccc1 123071878 PLLXQPTVAWGVAF-QGZVFWFLSA-N 295.382 3.758 30 20 CHED C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(Cl)cc1C#N 301882665 ITPJHIQYLUQHPD-HZMBPMFUSA-N 290.750 3.729 30 20 CHED C[C@H](Nc1ccc(C#N)nn1)c1ccc(Cl)c(Cl)c1 301829284 GUGZYLLPTNIKPU-QMMMGPOBSA-N 293.157 3.828 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cccnc2Cl)n1 128505678 KWNAVAWIMDLZIU-UHFFFAOYSA-N 289.791 3.911 30 20 CHED C=CCC[C@H](C(=O)N1C[C@H]2CCC[C@@H]2C1)c1ccccc1 188526712 TZFRYZHZMZSGDF-KURKYZTESA-N 283.415 3.995 30 20 CHED C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)Oc1cccc(Cl)c1 185846785 CFCGZYJLWJMPCR-VNHYZAJKSA-N 292.810 3.779 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccccc1Cl 127123459 MPVUSWIAVIUSPW-IINYFYTJSA-N 296.823 3.629 30 20 CHED CC(C)c1nc(N[C@H](C)CC#N)cc(C(C)(C)C)n1 302883093 JFOSCDFEUKYNKP-LLVKDONJSA-N 260.385 3.612 30 20 CHED C#CCOc1ccccc1NCc1ncc(C(C)C)s1 185174113 UTBORWYABBSKLC-UHFFFAOYSA-N 286.400 3.891 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@H]1C 185919106 SGMMQODHSGLRPU-TZMCWYRMSA-N 286.375 3.722 30 20 CHED CC#CCCCC(=O)N1Cc2ccccc2C[C@@H]1CC 186390893 BNMINFBGQRSOGG-KRWDZBQOSA-N 269.388 3.544 30 20 CHED CCCN(CCc1cccs1)C(=O)C1(C#N)CCCC1 184131657 IXBFEVVNZBBZNV-UHFFFAOYSA-N 290.432 3.613 30 20 CHED COc1ccccc1CCCN(CCC#N)CC(C)(C)C 505602138 KIOBWPLHHDOICP-UHFFFAOYSA-N 288.435 3.890 30 20 CHED CCCCCc1nnc(NCc2ccc(C#N)cc2)s1 181939775 OXNTYIQCQSKOMM-UHFFFAOYSA-N 286.404 3.755 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C(=O)CC)c1 76830862 GBJBIVXIAKMOMI-UHFFFAOYSA-N 269.369 3.673 30 20 CHED CC[C@H]1C[C@]1(NC(=O)NCCCCC#N)c1cccc(C)c1 507185134 WCHFQOVBJFZWCU-MAUKXSAKSA-N 299.418 3.613 30 20 CHED CC(C)(C#N)CCOc1cccc(OC(F)(F)F)c1 410320849 WJOLCTXEVOKABV-UHFFFAOYSA-N 273.254 3.904 30 20 CHED N#CC1(N(C(=O)c2cccc3c2CCCC3)C2CC2)CCC1 410742817 BJFCMCOUFRHQTO-UHFFFAOYSA-N 294.398 3.616 30 20 CHED Cc1cc(CN2CCS[C@@H]3CCCC[C@H]32)ccc1C#N 488231086 LWPHWENFIDHOTE-IAGOWNOFSA-N 286.444 3.727 30 20 CHED C[C@H](Cc1ccc(O)cc1)N[C@H](C)c1ccc(C#N)cc1 126629552 ONIUOWBEWURUQV-ZIAGYGMSSA-N 280.371 3.546 30 20 CHED C=CC[C@@H](C)NC(=O)C1(Cc2ccccc2Cl)CC1 189825266 FAJBECIMYMCZIE-GFCCVEGCSA-N 277.795 3.744 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccccc2Cl)no1 188031974 QWFMJQVQFKZANN-OAHLLOKOSA-N 292.766 3.870 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2ccc(C)s2)CCC1 187883280 RTDTUINATSKREZ-LBPRGKRZSA-N 277.433 3.850 30 20 CHED C=C(C)CN(C)Cc1cccc(-c2ccccn2)c1 181043094 LGFACZFRKGBAQR-UHFFFAOYSA-N 252.361 3.757 30 20 CHED C=CCCO[C@H](C)C(=O)N(Cc1ccc(C)s1)C(C)C 125444576 CFOFSVATVDLDRM-CQSZACIVSA-N 295.448 3.775 30 20 CHED C[C@@H](C1CC1)N(C(=O)Nc1ccc(CC#N)cc1)C1CC1 78045457 SQJUQCAHMPIJDH-LBPRGKRZSA-N 283.375 3.547 30 20 CHED C=CCSCCNc1cc(Cl)ccc1C#N 218873250 SIAZAZFZUHBTCZ-UHFFFAOYSA-N 252.770 3.543 30 20 CHED C=CCN(C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 73982125 KIAMYRYCCTWMFZ-UHFFFAOYSA-N 296.370 3.667 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 188498757 WNIQCOVAJFJBBD-QILLFSRXSA-N 271.404 3.993 30 20 CHED C=CCC[C@H](C(=O)N(C)c1ccccn1)c1ccccc1 186852227 UNFWOEGKBQMHKZ-INIZCTEOSA-N 280.371 3.794 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(Cl)cc1F 501506337 XNOUGSSSWKOFQH-UHFFFAOYSA-N 269.747 3.698 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 416092338 BOYYMYWGJKXABW-QGZVFWFLSA-N 294.398 3.798 30 20 CHED CCS[C@@H]1CCC[C@@H](Nc2ncc(C#N)cc2F)C1 413172882 OMEIBFMFVUCKFW-VXGBXAGGSA-N 279.384 3.569 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(C#N)cc1 47678978 DDIHWONQGWIHEJ-QDEZUTFSSA-N 299.418 3.743 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(C(F)F)c1 188468841 WBQBKDTYAVGKTD-OAHLLOKOSA-N 283.318 3.792 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)c2conc2C2CC2)c1C 329576457 OHOHRCKJFKKSQA-SECBINFHSA-N 288.351 3.664 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C(C)C)nc1 132743316 PLSWNRYHRXRCBW-UHFFFAOYSA-N 287.407 3.797 30 20 CHED COc1ccc([C@@H]2CCCN2CC2(CC#N)CC2)cc1 602761207 VLZLUABPFITGMP-INIZCTEOSA-N 270.376 3.526 30 20 CHED N#CC1(CNCc2cc(C(F)(F)F)ccc2F)CCC1 418141784 LTCYRIFRDVQMJK-UHFFFAOYSA-N 286.272 3.628 30 20 CHED Cc1nc2ccc(N=C(O)[C@@H]3CCC(=O)[C@@H](C)C3)cc2o1 328906051 KLNZYLFXIWCTGR-GXSJLCMTSA-N 286.331 3.730 30 20 CHED N#C[C@H](C(=O)c1cccc(C(F)(F)F)c1)c1ccccn1 46439659 UJXNWUIGLOZMOI-LBPRGKRZSA-N 290.244 3.590 30 20 CHED C=CCc1ccc(OCc2nc(C)cs2)c(OC)c1 88509533 UBWVPIXGQZAFMZ-UHFFFAOYSA-N 275.373 3.768 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1 86284106 CRVWFZZXMFUEPM-OLZOCXBDSA-N 289.379 3.630 30 20 CHED C=CCCCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 88218941 QKKVJLZTTKWMPE-OAHLLOKOSA-N 286.419 3.820 30 20 CHED N#Cc1csc(C(=O)N(C2CCCCC2)C2CC2)c1 84076528 AWFFCHNKZUYRQR-UHFFFAOYSA-N 274.389 3.557 30 20 CHED CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CCCC1 80018938 DNKKHLQKPGRSEQ-CYBMUJFWSA-N 285.391 3.593 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cccc(-c3cnco3)c2)CCC1=O 328938338 GQZDRAZOULBGAZ-YPMHNXCESA-N 298.342 3.935 30 20 CHED C=CC1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 516799156 LGJGMIZIKFJUTE-UHFFFAOYSA-N 283.415 3.533 30 20 CHED N#Cc1sc(N2CCCc3ccccc3C2)nc1Cl 287500571 UNHBUVRMRBDREA-UHFFFAOYSA-N 289.791 3.621 30 20 CHED C=C(C)CNC(=O)Nc1ccc2c(ccn2CCC)c1 429452288 LNEKCDAHMFHMJN-UHFFFAOYSA-N 271.364 3.749 30 20 CHED C=CCCc1ccccc1NC(=O)[C@]12CCC[C@@H]1C2 421549443 ZJSIHZXGPWFBEX-PBHICJAKSA-N 255.361 3.934 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc(C)cc1Cl 425367973 JFGMBOACMKXQAP-CHWSQXEVSA-N 294.826 3.777 30 20 CHED C=C(C)CCN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC 518740722 OFIOOZOMYBQXIC-KSZLIROESA-N 273.420 3.894 30 20 CHED N#Cc1cccc(CCNC(=O)CC2CCCCCC2)c1 331506973 LUYBNPKFLSTGGT-UHFFFAOYSA-N 284.403 3.577 30 20 CHED C=CC[C@@H](C(=O)N(C)Cc1ccc(O)cc1)c1ccccc1 190238086 HQOHFWMVPDYPPP-GOSISDBHSA-N 295.382 3.711 30 20 CHED Cc1ccc2c(c1)CN(C(=O)Nc1cccc(C#N)c1C)C2 335452843 UQFPYYDJSVADRJ-UHFFFAOYSA-N 291.354 3.723 30 20 CHED N#Cc1ccc(CNc2ccc3scnc3c2)cc1 237844576 JNTJUUUNXSCQNG-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1 516660499 ZOGKSIXOPRBLQG-RCCFBDPRSA-N 296.414 3.708 30 20 CHED N#Cc1ccncc1NCc1csc(-c2ccccc2)n1 94133188 QQSXDLDGZAESAR-UHFFFAOYSA-N 292.367 3.689 30 20 CHED C[C@@H](Nc1cccc(Cl)n1)c1ccc(C#N)cc1 149725813 GZTVBAFJZDDTQQ-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CCSCC[C@@H](C)N(C)Cc1cc(C#N)cs1 93871070 PWVZSPXPLUVDLL-LLVKDONJSA-N 268.451 3.583 30 20 CHED CN(CCc1cccs1)c1ccc(C#N)c(Cl)c1 90801919 JPDHGNPWKOFDCP-UHFFFAOYSA-N 276.792 3.952 30 20 CHED Cc1cc(F)ccc1[C@H](C)NCc1cccc(C#N)c1 815558614 IUXGNFUNQFCSEM-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCCC1(F)F)CC2 334672212 SLAMCYLAZHKHLC-UKRRQHHQSA-N 276.330 3.571 30 20 CHED N#C[C@H](NC(=O)c1cc(F)ccc1Cl)C1CCCCC1 293242830 DXNCTZCVSGKEPC-AWEZNQCLSA-N 294.757 3.681 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(c2cc(C#N)ccn2)C2CC2)o1 339974029 QTOYUEQGHSSHAD-MLGOLLRUSA-N 293.370 3.839 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)Oc1cccc(F)c1 523511017 PLPBODIORLKHBQ-CQSZACIVSA-N 293.382 3.798 30 20 CHED Cc1cc2c(Oc3cccc(F)c3C#N)ncnc2s1 90140284 ALMUDCYTBSTRHF-UHFFFAOYSA-N 285.303 3.803 30 20 CHED Cc1ccsc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 345374747 MVKOXDDWLBXAIF-LLVKDONJSA-N 295.367 3.731 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2cccc(C#N)c2C)c1 432345932 JAGCYWBZRHSMQC-AWEZNQCLSA-N 278.355 3.917 30 20 CHED N#C[C@@H](C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1nc2ccccc2o1 248745876 DDUJFAXLKWWTEG-FQUUOJAGSA-N 294.354 3.830 30 20 CHED Cc1cc(C)cc(C[C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c1 248897743 UCHXSDOOTKCJSA-LZLYRXPVSA-N 270.420 3.906 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccccc1SCC 341886022 MHUYOVKWKQCBGN-KBPBESRZSA-N 279.449 3.634 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)N[C@@H](CCC#N)c1ccccc1 438845731 DJLVRROVKAGRJO-OIISXLGYSA-N 299.418 3.861 30 20 CHED N#CCC[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 246986897 WFERSJUDEJRBBQ-HJWJTTGWSA-N 282.387 3.584 30 20 CHED N#Cc1ccc(F)c(-c2ccccc2OC[C@H]2CCOC2)c1 602421214 KVEHXBASWIQZGP-AWEZNQCLSA-N 297.329 3.780 30 20 CHED C[C@H](CCC#N)CN(Cc1cccc(F)c1)C1CC1 602442388 YEGMYZJYWQYYBP-CYBMUJFWSA-N 260.356 3.730 30 20 CHED CSc1cccc(F)c1CNc1cc(C)nc(C#N)c1 343223037 PEPGQQVUAJTYRZ-UHFFFAOYSA-N 287.363 3.735 30 20 CHED CC(C)(C)[C@@H]1CN(C(=O)C2(C#N)CCC2)c2ccccc21 347449500 RGWHDNSZOZDFOD-CQSZACIVSA-N 282.387 3.857 30 20 CHED C[C@@H](CCC#N)CNC1(CCOCc2ccccc2)CC1 602579826 HQPMLYFRYHVPSX-INIZCTEOSA-N 286.419 3.655 30 20 CHED CC[C@H](C(=O)N[C@](C)(C#N)CSC)C1CCC(C)CC1 345100019 VQNGSJXSZOHKBF-VKJZCYHPSA-N 296.480 3.600 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1occc1C(=O)OC 348207394 VWYUXSXRPDPKEZ-UHFFFAOYSA-N 299.370 3.645 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC)CC1CCCC1 437513793 AGZLLZNJGMGUPE-IKGGRYGDSA-N 293.451 3.690 30 20 CHED COC(=O)c1ccc(C=NOCc2cc(C)ccc2C)cc1 255173245 FSYRYEPWHYEQDB-UHFFFAOYSA-N 297.354 3.641 30 20 CHED C=C(CN[C@H](C)c1ccc([S@@](C)=O)cc1)c1ccccc1 346778076 LVWVKNREHIETQI-QVKFZJNVSA-N 299.439 3.788 30 20 CHED C[C@H]1CCN(CC2(CC#N)CC2)[C@H](c2ccco2)C1 602783624 PRLJXJJNIJNCMG-KBPBESRZSA-N 258.365 3.746 30 20 CHED C=CC1CCN(C(=O)/C=C(/C)c2ccccc2OC)CC1 255047053 BASFQNQDQDYYKG-YPKPFQOOSA-N 285.387 3.523 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)NCCCCC#N)cc1 255624950 OQKCUSQRMJIZHA-XFXZXTDPSA-N 284.403 3.807 30 20 CHED CCCCN(C(=O)CSCC#N)[C@@H](C)c1ccc(C)o1 603619043 ICAUPJKRKYUWCQ-ZDUSSCGKSA-N 294.420 3.535 30 20 CHED N#Cc1cc(F)ccc1NC(=O)/C=C\Sc1ccccc1 255711429 AQWCCKJBYZXICQ-HJWRWDBZSA-N 298.342 3.942 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)o1 255237288 ZCSLWHAXVPKCTE-XURPKSDJSA-N 281.311 3.775 30 20 CHED COc1ccc([C@H](NC[C@H](C)CCC#N)C(C)C)cc1 602510227 FKAUZUUKTCRMRF-RHSMWYFYSA-N 274.408 3.922 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 253386151 VUWBDEFQJIUNLT-VIFPVBQESA-N 288.174 3.913 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1C[C@H](C)CC[C@H]1C 351158459 CAADREHNTWJKLU-MGPQQGTHSA-N 276.428 3.602 30 20 CHED CC1(C#N)CCC(Nc2ccc(Cn3cccn3)cc2)CC1 449049249 IWIVRXZMOIUMHL-UHFFFAOYSA-N 294.402 3.816 30 20 CHED Cc1cccc2c1N(Cc1cc(C#N)ccc1F)CC2 532703954 OAGLVVMSFHQVMY-UHFFFAOYSA-N 266.319 3.569 30 20 CHED N#Cc1cc(C(=O)Nc2cc(F)ccc2F)ccc1Cl 538268351 GXLREOXJZGZBSN-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)CCC#N)c1cccs1 351671843 KUJWVXDUXFXJRQ-GFCCVEGCSA-N 293.436 3.828 30 20 CHED CC[C@@H]1CN(c2cnccc2C#N)CC[C@@H]1c1ccccc1 536684892 GYYLHUWUKUCASL-QAPCUYQASA-N 291.398 3.973 30 20 CHED C[C@@H](C#N)CN(C)C(=O)C1(c2cccs2)CCCCC1 265690692 YONRAGWIKFKMEH-ZDUSSCGKSA-N 290.432 3.568 30 20 CHED CCN(CC)C[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 530714326 DVQVFHVYUJGCEL-MOPGFXCFSA-N 299.462 3.548 30 20 CHED C=CCOc1cccnc1-c1nc([C@@H](C)SCC)no1 357333572 UQLJWXFPNNRTGX-SNVBAGLBSA-N 291.376 3.511 30 20 CHED CC(C)(C)c1nc(C(=O)N(CC#N)c2ccccc2)cs1 264010021 UWOVZSUYJYQECD-UHFFFAOYSA-N 299.399 3.611 30 20 CHED C=C(CC)CSCC(=O)N(C)C1CCC(C)CC1 358633829 FJJVXBMUEWZXCW-UHFFFAOYSA-N 269.454 3.723 30 20 CHED CCN(CCNC1CCC(C)(C#N)CC1)c1cccc(C)c1 449059219 OYFRWKISQNTOPW-UHFFFAOYSA-N 299.462 3.883 30 20 CHED N#Cc1ccc(S[C@@H](C#N)Cc2ccccc2)c(F)c1 610219753 NFFBTCQNSXRDIG-CQSZACIVSA-N 282.343 3.924 30 20 CHED C=CC(C)(C)C(=O)Nc1cc2c(cc1Cl)CCC2 530021475 TXBONWFOQMUPMZ-UHFFFAOYSA-N 263.768 3.979 30 20 CHED Cc1nn(C)c2cc(NCc3ccc(C#N)c(F)c3)ccc12 359849991 PAFAKABHYWAKSB-UHFFFAOYSA-N 294.333 3.505 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1ccc(C#N)cc1[N+](=O)[O-] 536500517 XDMMNMURSDTYDN-OAHLLOKOSA-N 293.326 3.874 30 20 CHED Cc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1O 357667068 DFNYHVTYZGJZFF-UHFFFAOYSA-N 298.367 3.569 30 20 CHED N#C[C@H]1CCC[C@@H](NC2CCc3ccccc3CC2)C1 449587524 HJWQFZIDLQRLOH-KBXCAEBGSA-N 268.404 3.606 30 20 CHED C=CC[C@H](C)N[C@H](c1ccc2nc(O)oc2c1)C(C)C 359317926 UIFWQBLGIHXZRO-NHYWBVRUSA-N 274.364 3.785 30 20 CHED CCOc1ccc(/C=C\c2ncccc2C#N)cc1OC 352021054 MBXZQJABHZITQX-VURMDHGXSA-N 280.327 3.531 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCCc4cccnc43)CC2)c1 619611498 LQIKLBMYEDZYAY-QGZVFWFLSA-N 289.382 3.610 30 20 CHED C=CC[C@@H](C)[C@H](C)NC1(c2ccc3c(c2)OCO3)CC1 538552640 UZRQAAKNJGPTBZ-OLZOCXBDSA-N 273.376 3.595 30 20 CHED CC[C@H](c1ccc(Cl)cc1)N1CC[C@](F)(C#N)C1 615642518 BRZBCWUHOBQCKA-KGLIPLIRSA-N 266.747 3.729 30 20 CHED CC(C)[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccccc1 457524507 PEDKCNPVRMLJDJ-OAHLLOKOSA-N 287.407 3.623 30 20 CHED C=CCC1(NC(=O)c2ccc(Cl)o2)CCCC1 619113796 HIXCKYXRLSDJFR-UHFFFAOYSA-N 253.729 3.552 30 20 CHED N#CCCCCN1CCCC[C@H]1Cc1ccccc1 264170211 ZVMFXRWSCJPEQV-KRWDZBQOSA-N 256.393 3.777 30 20 CHED Cc1cccc([C@@H](C)NCCOc2ccc(C#N)cc2)c1C 536873999 BPSQCRNHLMRPAG-MRXNPFEDSA-N 294.398 3.905 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C(C)(C)c1cccc(Cl)c1 611249692 OCNHPUVKNNVGEF-CQSZACIVSA-N 292.810 3.672 30 20 CHED N#CC[C@@H](CC(=O)NC12CCC(CC1)C2)c1ccccc1 369102549 UQPHILKZJBIWHT-HQVVEAJESA-N 282.387 3.523 30 20 CHED CC(C)[C@]1(C)C[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1 458115233 IADRNVHJQDPHBD-JZXOWHBKSA-N 284.403 3.625 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](F)(C#N)C1 615665358 ZJWFINFPNXVHDT-NVXWUHKLSA-N 294.414 3.837 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)CC(C)(C)C#N)c1C 279298339 QDGGSRKJZFCJLG-MRXNPFEDSA-N 284.403 3.907 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1csc(C2CCCCC2)n1 451608162 REOGOAKCUYTPCH-CABCVRRESA-N 292.448 3.624 30 20 CHED Cc1nc(NCC[C@@H]2CCO[C@@H](C)C2)c(Cl)cc1C#N 360085834 ATONNIBRHOLBQZ-CMPLNLGQSA-N 293.798 3.532 30 20 CHED C=CCC1(C(=O)N(C)Cc2nccs2)CCCCC1 450018342 OPMAOKOIIFWMCQ-UHFFFAOYSA-N 278.421 3.628 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(CCC#N)Cc1ccco1 279925287 XRYUIORHOLCEMD-HOCLYGCPSA-N 288.391 3.738 30 20 CHED N#CCCCC(=O)N1CC=C(c2ccccc2Cl)CC1 360784776 ZMZCDIFVSZKYTI-UHFFFAOYSA-N 288.778 3.650 30 20 CHED Cc1ccc(C(=O)CCN[C@@H](C)c2ccc(C#N)cc2)cc1 274839945 OGPSDUJLTAEPNK-HNNXBMFYSA-N 292.382 3.790 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)C[C@H]1CC 540489880 HJTRAMSHUQCQCH-MELADBBJSA-N 252.402 3.561 30 20 CHED C[C@H](CC#N)N(C)c1nc2cc(Cl)cc(Cl)c2o1 278952962 XJMNARJWOUDBHC-SSDOTTSWSA-N 284.146 3.873 30 20 CHED C=CCN(C)C(=O)c1cc(C(F)(F)F)ccc1Cl 626518558 SGBPBQXPDIXHME-UHFFFAOYSA-N 277.673 3.617 30 20 CHED Cc1cccc([C@H]2CCN(C(=O)c3cc(C#N)cs3)C2)c1 273074734 JXSKIGUESSOOCV-HNNXBMFYSA-N 296.395 3.558 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1SC(C)C 450171217 YQXYKZSYAHAZSN-OCCSQVGLSA-N 291.416 3.717 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1c(F)cccc1F)OCC 270015692 HCMFLNXFMGWFLW-RISCZKNCSA-N 297.345 3.513 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 279700206 OPKXZMUYGOBLCT-QGZVFWFLSA-N 283.415 3.813 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(CC(C)C)CC(C)C 451394675 SURAOUMAZYZJSX-NVXWUHKLSA-N 295.467 3.792 30 20 CHED CC1CCC(CNC(=O)Nc2cccc(CC#N)c2)CC1 455914662 HCMCNMZUBVEAIY-UHFFFAOYSA-N 285.391 3.700 30 20 CHED C=C(C)CCNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 452721906 ITKJSXKPDRWMCZ-KGLIPLIRSA-N 297.320 3.891 30 20 CHED CCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H](O)c1ccccc1 279725838 VEAYJGBQXIVVIS-NRSFXHEJSA-N 286.419 3.561 30 20 CHED C=CCN(C(=O)N[C@H](c1ccccc1C)C1CC1)C1CC1 540110704 IQHXZJJGHNDLNU-KRWDZBQOSA-N 284.403 3.806 30 20 CHED CC1(c2ccccc2)CC(N[C@@H]2CCC[C@@H](C#N)C2)C1 278693895 KQAHBSRPFDBCON-DVHLICQRSA-N 268.404 3.779 30 20 CHED CC(C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 540972438 ZKVLVLRIDGWWQE-ZJUUUORDSA-N 297.185 3.515 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2N(C)CC2(C#N)CC2)cc1 540552148 BYFGQNJDZUSRLF-SJORKVTESA-N 268.404 3.867 30 20 CHED CN(Cc1c(F)cccc1F)c1ccc(F)cc1C#N 549604651 ZRTRCYGGEQUDFJ-UHFFFAOYSA-N 276.261 3.612 30 20 CHED Cc1ccc(F)cc1OCCCC1(C#N)CCOCC1 281193185 BWJXMZKBQIMUHA-UHFFFAOYSA-N 277.339 3.614 30 20 CHED C#CCCCC(=O)Nc1c(CC)cc(C)cc1CC 281253329 QXBYIXVGCORMQA-UHFFFAOYSA-N 257.377 3.862 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1cccc(F)c1 280697148 BWOFRVCVGGYMMM-OIISXLGYSA-N 277.383 3.848 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 465175811 JNUUFDDMOWGXNY-LBPRGKRZSA-N 278.355 3.954 30 20 CHED C=CCOCCN[C@H](c1ccccc1F)C1CCCC1 559147066 LSMNSMLEYAYOOZ-KRWDZBQOSA-N 277.383 3.849 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 465284695 KGESYUMKJAMRQT-ZFWWWQNUSA-N 274.408 3.956 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](C)CN(C)c2ccccc21 468012082 QFLYGFSDFWOFOH-RDTXWAMCSA-N 286.419 3.708 30 20 CHED C=CCC[C@@H](CC)NC1(c2cccc(C#N)c2)CC1 551571897 GEVXOBRXPSUEKI-MRXNPFEDSA-N 254.377 3.882 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)CC[C@H]1C 460386287 IBNLVPAIXXWWLC-RBSFLKMASA-N 290.455 3.993 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2ccc(OC)cc2s1 467847618 ACEPOURGTGSEDW-HNNXBMFYSA-N 290.388 3.846 30 20 CHED C[C@@H](C(=O)Nc1ccccc1CC#N)c1cccc(F)c1 555526251 WKDAPYDXXHCGPP-GFCCVEGCSA-N 282.318 3.634 30 20 CHED C=CCCCCNC(=O)c1[nH]c2ccccc2c1Cl 474686840 LXAQKNYFAFOJKZ-UHFFFAOYSA-N 276.767 3.907 30 20 CHED N#Cc1cccc(OCCCNc2ccc(F)c(F)c2)c1 477606961 KKFWSFDZFLHVEG-UHFFFAOYSA-N 288.297 3.717 30 20 CHED CN(CCCOc1ccc(Cl)cc1)[C@H]1CC[C@@H](C#N)C1 556105156 RSTUYFUXLXLPPY-HIFRSBDPSA-N 292.810 3.733 30 20 CHED C=CCCCCNC(=O)NC[C@H]1CCC2(CCCCC2)O1 479585046 IZFDBTYVDZMIKE-OAHLLOKOSA-N 294.439 3.524 30 20 CHED CC(C)CCC(=NNCCC(=O)OC(C)(C)C)C1CC1 802712239 LHZVQNZVVBMMDT-UHFFFAOYSA-N 282.428 3.510 30 20 CHED CCC[C@@H]1CCc2ccccc2N1CCO[C@H](C)C#N 801935209 WSBFBUUIQUBKAU-GDBMZVCRSA-N 272.392 3.537 30 20 CHED C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[C@H]1C 556821399 TUYUQUAETXZXJN-FRULXJFHSA-N 296.414 3.603 30 20 CHED C#C[C@@H](NC(=O)[C@H](CC=C)c1ccccc1)C(C)(C)C 807881899 FNJKIFMQTVXVLC-HZPDHXFCSA-N 269.388 3.510 30 20 CHED CCCCCCCCNC(=O)c1c(F)cc(C#N)cc1F 387399723 DTCDBIRVJZUFPZ-UHFFFAOYSA-N 294.345 3.927 30 20 CHED Cc1ccc(-c2nc(C)c([C@@H](C)NCCC#N)s2)cc1 299220096 HRCIMIKJXNDNSP-GFCCVEGCSA-N 285.416 3.991 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccc(F)cc1)C(C)(C)C 472772805 PQNSCTIRNQCOHT-HZPDHXFCSA-N 279.399 3.830 30 20 CHED C=CCC(C)(C)c1nc(-c2c(C)nc3sccn23)no1 291936876 PJTXAQVGVWWBKC-UHFFFAOYSA-N 288.376 3.608 30 20 CHED C=CCCCCCCNC(=O)c1cn(C(C)(C)C)nc1C 805219141 YOBYXBYYTLCBMC-UHFFFAOYSA-N 291.439 3.813 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Oc2ccccc2)cn1 567409343 BPPWRXXUKFMWJR-UHFFFAOYSA-N 296.370 3.912 30 20 CHED CCCCn1ncc(Nc2ncccc2C#N)c1C(C)C 477706893 YESCDVTTXOYWHH-UHFFFAOYSA-N 283.379 3.817 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H](C)CCC 643221785 RRGRYKOHBPAISK-GFCCVEGCSA-N 266.410 3.634 30 20 CHED C=CCCCCCCNC(=O)Cc1cccc(F)c1F 805219983 CMIXVWJXKWELOR-UHFFFAOYSA-N 281.346 3.760 30 20 CHED N#Cc1ccc(CNc2ccc([C@@H]3CCOC3)cc2)s1 292891141 CYUCXUQVPMKZCC-CYBMUJFWSA-N 284.384 3.736 30 20 CHED C#CCCCC(=O)N(C)c1ccc(C)cc1Br 291621471 IISXVISZXNZEAJ-UHFFFAOYSA-N 294.192 3.524 30 20 CHED CCc1ccc([C@@H]2CCN([C@@H]3CC[C@@H](C#N)C3)C2)cc1 293684817 VYSQFEUCTSKKBJ-KBAYOESNSA-N 268.404 3.731 30 20 CHED C=CCCCCN[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 567122116 LWAVEVJFHNJZMO-JKSUJKDBSA-N 264.457 3.585 30 20 CHED C=CCCCCCN(C)Cc1ncc(Cl)s1 473149311 XFXIEQADROHUTN-UHFFFAOYSA-N 258.818 3.975 30 20 CHED Cc1cc(NC(=O)N(C)C[C@H](C)C#N)c2ccccc2c1 297463417 RGGAGVMGOSVWAP-CYBMUJFWSA-N 281.359 3.772 30 20 CHED C=CCCCCCCNC(=O)N1CCSC[C@@H](C)C1 806005407 OMCLSOLNUMEBIZ-AWEZNQCLSA-N 284.469 3.517 30 20 CHED C#CC[C@@H](NC(=O)N[C@@H](C)c1ccsc1)c1ccccc1 801045421 ZDUIJSKCADJYHR-XJKSGUPXSA-N 298.411 3.873 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](C)C1 472176249 ONQHWWAWUZYAAB-DOTOQJQBSA-N 286.419 3.963 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCC(C)(F)F 297018551 AEOQQZULUUGAGV-UHFFFAOYSA-N 296.361 3.820 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)CCC1CCCCC1 473700237 WCQUJAOOKVLSJP-KRWDZBQOSA-N 281.440 3.644 30 20 CHED N#CCCCCCC(=O)OCCOc1ccccc1Cl 805697172 QSDWZAIBIPNSSF-UHFFFAOYSA-N 295.766 3.736 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccccc1OCCF 297614022 AMCBLQKMSUUYDS-UHFFFAOYSA-N 265.328 3.576 30 20 CHED C=CCCCC[C@@H](C)NCCc1ccc(O)c(OC)c1 648455627 FJGYYDUQTDJHNE-CQSZACIVSA-N 277.408 3.668 30 20 CHED CCc1c(C(=O)N[C@@H](C#N)C(C)(C)C)oc2ccccc12 295228635 YYMBXMNBBIIPOR-AWEZNQCLSA-N 284.359 3.663 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@@H]1CF)c1ccccc1 647445862 AZHLNWZGXLCCMO-HZPDHXFCSA-N 275.367 3.697 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(F)=C1CCCC1 819736243 FWGAPDXIEJQRLM-GFCCVEGCSA-N 286.350 3.875 30 20 CHED C=CCCCCCCCCNC(=O)c1cccc(C#N)n1 810732776 LYTPRACAEHHSQA-UHFFFAOYSA-N 285.391 3.600 30 20 CHED N#Cc1nc(Oc2ccc3cccnc3c2)ccc1Cl 480545911 DDUMJVUETWBEIK-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CCCCCCCCCN(C)C(=O)c1cccc(C#N)n1 810189841 IZHJZRWZTKDNHE-UHFFFAOYSA-N 287.407 3.776 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OC)c(OC)c1C 566823018 HAQSGXDRTCBKAW-HNNXBMFYSA-N 275.392 3.553 30 20 CHED Cc1ccc([C@]2(C)CCN(c3ccc(C#N)c(C)n3)C2)cc1 487763259 SZAVQSUZSWIJCY-LJQANCHMSA-N 291.398 3.738 30 20 CHED C[C@H]1CN(Cc2ccccc2)CCC1=NOC/C=C\Cl 811668894 VETBARARMWOCEZ-GMJFTHHDSA-N 292.810 3.654 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H](C)c1ccccc1F 488395381 HPSLEHQXFJREFZ-CYBMUJFWSA-N 286.350 3.646 30 20 CHED N#Cc1cccc(Cl)c1NCC[C@@]1(O)C[C@H]2CC[C@H]1C2 488524807 CGJLXUFYWPEUBI-DETPVDSQSA-N 290.794 3.565 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(F)c2C#N)oc1C 811690737 GZDYRBMDFSYMQO-VOTSOKGWSA-N 269.275 3.803 30 20 CHED CO[C@@H]1CCCCC1=NNc1cc(Cl)nc(Cl)c1 819831023 INKVOPKZXYULDG-SNVBAGLBSA-N 288.178 3.745 30 20 CHED N#Cc1cccc([C@@H]2CN([C@@H]3C=CCCCCC3)CCO2)c1 815078027 LSPWFRVVXYGFIM-MOPGFXCFSA-N 296.414 3.820 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(-n2ccnc2C)cc1 811669574 GMUZXUBDFDLRIT-CURAXGSESA-N 289.766 3.674 30 20 CHED C=CCCCCCSCCC(=O)N1CCC[C@@H]1C 485578663 LBAVGQGQGHJCTC-AWEZNQCLSA-N 269.454 3.867 30 20 CHED C=CCCc1noc(Cc2c(C)nc3ccccc3c2C)n1 651355601 HCQMTEJMWCMKLQ-UHFFFAOYSA-N 293.370 3.944 30 20 CHED C=CCCc1nc(-c2cccc(Br)c2C)no1 485882188 PAVAFLSYKYKERW-UHFFFAOYSA-N 293.164 3.926 30 20 CHED C#CCN(C)C(=O)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 812022059 KSMJAVKZTBHXPA-SFHVURJKSA-N 298.430 3.611 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 814833132 YZKSUJKQJUAGQO-RWMBFGLXSA-N 271.351 3.673 30 20 CHED CCC(CC)CNN=C1CCC[C@H](CCCC(=O)OC)C1 814906081 FDGQRJSKICITAH-OAHLLOKOSA-N 296.455 3.902 30 20 CHED CC#CCCNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 483100273 SQDCOVFWPQCMKX-JTQLQIEISA-N 299.201 3.767 30 20 CHED CC(C)OCCON=Cc1cnc(-c2cccs2)s1 812240538 UKVZAFDUZPQLPB-UHFFFAOYSA-N 296.417 3.647 30 20 CHED C=CCCn1cc(-c2nc3ccccc3n2C2CCC2)nn1 656486084 TXWNLKIODQLOMF-UHFFFAOYSA-N 293.374 3.596 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](OC1CCCC1)c1ccccc1 726912056 LMMCFEHPYCFNAP-SFHVURJKSA-N 299.414 3.888 30 20 CHED C#CCCCOC(=O)C1(c2cccc(F)c2)CCCC1 727041075 XFTHEMUASDBYCR-UHFFFAOYSA-N 274.335 3.594 30 20 CHED Cc1nsc(Nc2cccc(N(C)C(C)C)c2)c1C#N 573312752 QSEWRCAXUCGTES-UHFFFAOYSA-N 286.404 3.911 30 20 CHED C=CCN(C(=O)[C@H](CC(C)C)c1ccccc1)C1CC1 578578964 FOEBKWIMTMOWIW-QGZVFWFLSA-N 271.404 3.993 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2c(F)cc(F)cc2F)C1 572352921 RFIJPJSUJUVYKY-VXNVDRBHSA-N 257.280 3.888 30 20 CHED CCC[C@@H](Cc1ccccc1)Nc1cc(C#N)ccn1 576727581 PFYJLGAHWCUSJV-INIZCTEOSA-N 265.360 3.777 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(Cl)c(F)c1 490078757 IPDISYVEHCZRMO-UHFFFAOYSA-N 278.714 3.719 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C#Cc1cccs1 825973086 NDVORUQSIKNHPZ-GOEBONIOSA-N 295.407 3.504 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cc(C)oc1C 495173248 JSJDLUZQQVDZIZ-GXTWGEPZSA-N 276.380 3.708 30 20 CHED C=CC[C@@H]1CCCN(CCC(=O)Nc2ccccc2C)C1 661382379 VECNBEXQLAARKP-MRXNPFEDSA-N 286.419 3.612 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 584121004 ZKRDNQLEOYEVGY-RDTXWAMCSA-N 296.414 3.558 30 20 CHED N#CC1(CCN2CCC[C@@H]2[C@H]2CCCOC2)CCCCC1 584348636 BVKYVCQWROKRRT-DLBZAZTESA-N 290.451 3.742 30 20 CHED N#Cc1ccc(-c2nc(-c3ccoc3)no2)cc1Cl 589147369 AVSOTDYBNBPXIN-UHFFFAOYSA-N 271.663 3.522 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1C(C)(C)C 491221558 XRYIKTAVNLEDFY-GFCCVEGCSA-N 258.365 3.517 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](c1ccccc1)C(F)F 820466429 GPJYPTHZVSBYAX-FZMZJTMJSA-N 267.319 3.711 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H](CC)CC(F)(F)F 828891286 LRXMRACPUYIRSV-NSHDSACASA-N 299.292 3.616 30 20 CHED C=C[C@@H]1CCCCN1c1ncnc2ccc(SC)cc12 583521650 UXFCQBDMFPHSQL-GFCCVEGCSA-N 285.416 3.897 30 20 CHED CC(=O)c1ccc(C#N)cc1N1CCc2ccc(C)cc2C1 664225372 ZFCWURGCWWEBCO-UHFFFAOYSA-N 290.366 3.632 30 20 CHED CCOc1ccc(N(C)Cc2ccc(OCC#N)cc2)cc1 739927463 XZJKYKLQLDYNTN-UHFFFAOYSA-N 296.370 3.624 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CCC2(CCCC2)CC1 737989022 IVTPAHQAOIIMHN-FPLPWBNLSA-N 294.398 3.754 30 20 CHED C=CCC1(C(=O)OCC(C)(C)CCC#N)CCCC1 835385833 FUYWCGLNPFFMMN-UHFFFAOYSA-N 263.381 3.996 30 20 CHED C#CCOc1ccc(NC(=O)N[C@H](C)CCC(C)C)cc1 731113934 ZIMKKNVDZKXMDW-CQSZACIVSA-N 288.391 3.645 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 837576834 WCRRULCMOKXNPS-DLBZAZTESA-N 283.415 3.879 30 20 CHED C=CCCOc1ccccc1-c1ncn2c1CCCC2 906176370 DLLDZVIPYRXPEX-UHFFFAOYSA-N 268.360 3.841 30 20 CHED CC(C)(CC(=O)N[C@@](C)(C#N)C1CCCCC1)C1CC1 581086340 WWRXBPRDXLJNEX-KRWDZBQOSA-N 276.424 3.791 30 20 CHED C#CCCCCCC(=O)O[C@H](CC)c1ccncc1 839008688 KZTNHHJLVQOYMT-OAHLLOKOSA-N 259.349 3.660 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2oc(S)nc2c1 831732306 GPRCXLVTFLGNEW-SNVBAGLBSA-N 290.388 3.591 30 20 CHED C[C@@H]1CCc2sc(NC(=O)C(C)(C)F)c(C#N)c2[C@@H]1C 839390062 CHYIXZVTHHCGTF-RKDXNWHRSA-N 294.395 3.992 30 20 CHED C=C(CNC(=O)c1cc(F)c(C)cc1F)c1ccccc1 672482016 LVBXJWOZCGOLOA-UHFFFAOYSA-N 287.309 3.716 30 20 CHED CC(C)C[C@H](NCC1(C#N)CC1)c1ccc(F)cc1 903106796 VRJXMXVKNUEFND-HNNXBMFYSA-N 260.356 3.806 30 20 CHED C[C@H](Sc1nccn1C1CC1)c1ccc(C#N)cc1 735618277 MQLZGSPUPRUNIJ-NSHDSACASA-N 269.373 3.943 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2cccc(C#N)c2)n1 583039618 MLMFOSDCGVWORB-HJWRWDBZSA-N 279.343 3.965 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc2c(c1)CCCN2 911777562 ABIBGSGPVCOKPO-GFCCVEGCSA-N 258.365 3.586 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(Cl)cs2)C1 839060475 VIMSSCXWQGNJMQ-WCBMZHEXSA-N 269.753 3.641 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1F 731488507 IHBAJXAKKJQHQT-GQCTYLIASA-N 298.313 3.801 30 20 CHED COc1ccc(OC)c(/C=C\C(=O)c2cccc(F)c2)c1 916134607 RVYOWUJUOKZSDY-VURMDHGXSA-N 286.302 3.739 30 20 CHED CCOc1ccc(NC(=O)C#CC(C)(C)C)c2ncccc12 837535587 PBODMHOXODFUQF-UHFFFAOYSA-N 296.370 3.622 30 20 CHED Cc1cccnc1[C@H](N[C@H](C#N)c1ccccc1)C(C)C 595370990 MRGHOHLYUNAFFK-IAGOWNOFSA-N 279.387 3.942 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccccc2)C1 595832422 QDRVPXALTBCYOY-HNAYVOBHSA-N 292.382 3.773 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N2CCC[C@@](C)(C#N)C2)C1(C)C 590909924 UDWOERWKNUBDNR-JQFCIGGWSA-N 276.424 3.601 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1nc2ccccc2s1 917564171 XAGNQWKPGFMJLH-UHFFFAOYSA-N 297.387 3.539 30 20 CHED C=CCOc1ccc(CNCc2c(C)cccc2F)cc1 742379846 BLMKIVQFZDEQHT-UHFFFAOYSA-N 285.362 3.989 30 20 CHED Clc1ccc(C=NNc2ccc(Cl)nc2)cc1 743450644 VFQRITDLXNVOHF-UHFFFAOYSA-N 266.131 3.834 30 20 CHED C=C(C)CON=Cc1cc2cnn(C(C)C)c2nc1Cl 844617181 JWEAPJPLYQOBOZ-UHFFFAOYSA-N 292.770 3.592 30 20 CHED C=C[C@H](C)ONC(=O)N(Cc1ccccc1)[C@@H](C)CC 845632070 WJKQJIOTURUYIA-KBPBESRZSA-N 276.380 3.503 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2ccc(O)c(O)c2)cc1 917551579 LGWQROKEBSEBES-ZDUSSCGKSA-N 298.386 3.906 30 20 CHED C=CCN(Cc1ccccc1F)C[C@H](O)c1ccc(C)cc1 743263198 HYZVSEDSLYCCEV-IBGZPJMESA-N 299.389 3.856 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 597779340 LOAKCZCZXILLDI-PVAVHDDUSA-N 284.403 3.721 30 20 CHED CC(C)(CC#N)CNCc1ccsc1C(F)(F)F 598981250 MBBOJVXHDPHCEU-UHFFFAOYSA-N 276.327 3.796 30 20 CHED Cc1ncc(C=NNc2ccccc2C(F)(F)F)s1 917531973 BKKZVRYHRSHPOP-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C#CCN(C(=O)c1ccc(OCC=C)cc1)C1CCCCC1 743691259 QCPYPXNNBGKBNT-UHFFFAOYSA-N 297.398 3.660 30 20 CHED N#Cc1sc(NC(=O)/C=C\C2CCCCC2)nc1Cl 841225120 JHPMSMHUGPPPSD-SREVYHEPSA-N 295.795 3.743 30 20 CHED CCOc1ccc(C=Nc2cscc2C)c(O)c1 747690371 ISMWDPNPUQGCLE-UHFFFAOYSA-N 261.346 3.911 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCCOc3ccccc32)cc1 595056031 PGSXOARAFUGRCG-GOSISDBHSA-N 292.382 3.604 30 20 CHED C=C(Cl)CN1CCn2cccc2[C@@H]1c1ccccc1 747669481 LZDUMXBKKWMWJK-INIZCTEOSA-N 272.779 3.646 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cc(C)n(C)n2)cc1 840716454 YBJXZGHZUIMNHX-KHPPLWFESA-N 268.360 3.577 30 20 CHED C=CCC(C)(C)CNC(=S)N[C@H](C)c1cccs1 840749939 RIFNBPFZWKCEHA-LLVKDONJSA-N 282.478 3.876 30 20 CHED CC(C)c1ccc(CCC(=O)OCC2(CC#N)CC2)cc1 744275949 BNPCJPXNARTKNF-UHFFFAOYSA-N 285.387 3.980 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 599825165 DLCDWMZXWBJKQM-BBWFWOEESA-N 296.414 3.639 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N[C@@H]1C[C@H]1C1CCCCC1 741648773 FHWNXISNLDZGHZ-FWGLOVMOSA-N 294.398 3.656 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@@H]1CC[C@@H](C)C1 748923174 XUKTYUANSWORHU-TZMCWYRMSA-N 271.360 3.736 30 20 CHED N#CC1(CCn2cnc(Cc3ccccc3)n2)CCCCC1 596302281 VGBGVQISYJBJJI-UHFFFAOYSA-N 294.402 3.733 30 20 CHED N#CCCCCCC(=O)NC[C@H](c1ccccc1)C1CC1 590076251 VUSVWXQQJXQMJG-QGZVFWFLSA-N 284.403 3.770 30 20 CHED C=CCCCCCOC(=O)CCc1scnc1C 840605285 NWIWETOWHLTKRC-UHFFFAOYSA-N 267.394 3.674 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 597287386 SZBQTOXCKMMPEM-HUUCEWRRSA-N 276.424 3.936 30 20 CHED CCOc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)cc1 595055952 NAHXZQOOGKLUMK-OAHLLOKOSA-N 294.398 3.850 30 20 CHED CCc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1O 848893045 NWQAZJZNXDNAMC-ZDUSSCGKSA-N 280.371 3.677 30 20 CHED CCc1ccc(Nc2nc(C#N)c(Cl)s2)cc1 590568870 HBFQPSMCLGSWRD-UHFFFAOYSA-N 263.753 3.974 30 20 CHED CC(=NNc1nc(-c2ccccc2)cs1)[C@@H]1CCOC1 741757379 QRMLMKRZNVGNEL-CYBMUJFWSA-N 287.388 3.634 30 20 CHED Cc1sc2ncnc(NN=C3CCC[C@@H]4C[C@H]34)c2c1C 841607947 OYCUUQHBOMYOLF-MNOVXSKESA-N 286.404 3.896 30 20 CHED CCCCCCC[S@](=O)Cc1nnc(C2CC2)s1 841724874 XHPJVHBDFAKRGZ-SFHVURJKSA-N 286.466 3.635 30 20 CHED CC#CCOC(=O)/C=C\c1ccc(C(C)(C)C)cc1 744641536 DAAIHJJLBHSDJF-XFXZXTDPSA-N 256.345 3.564 30 20 CHED COCc1ccc(/C=C\C(=O)c2coc(C(C)C)n2)cc1 844553700 VXRQESJMJVUCNO-HJWRWDBZSA-N 285.343 3.841 30 20 CHED FC1(F)CCC(=NNCc2cccc(Cl)c2)CC1 842528153 QDERUGXDEKQQHG-UHFFFAOYSA-N 272.726 3.995 30 20 CHED O=C1/C(=C/c2ccccc2[N+](=O)[O-])Cc2c(F)cccc21 921267077 VTQZDMQAFNVPFI-DHZHZOJOSA-N 283.258 3.556 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(C)cc2O)c1 757476733 RNEKBMDWFRUUPF-CLFYSBASSA-N 282.339 3.743 30 20 CHED C#CCN(CC)C(=O)CCCc1csc2ccccc12 755229799 HUQGALIWWDVWLO-UHFFFAOYSA-N 285.412 3.706 30 20 CHED Cc1c(Br)cccc1CON=CC1CC1 853735265 QYVROTYOQBAQNA-UHFFFAOYSA-N 268.154 3.670 30 20 CHED CCCCCCC=NNc1ccc(C(F)(F)F)nn1 755813305 DBJPXRILYUDWPJ-UHFFFAOYSA-N 274.290 3.864 30 20 CHED Cc1c(Br)cncc1C=NNCCC(C)(C)C 853332795 PXWTXKJTBUNSNZ-UHFFFAOYSA-N 298.228 3.512 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cn1ccc2ccccc21 851212819 WJXAABRIEBXQLG-ZDUSSCGKSA-N 284.359 3.513 30 20 CHED N#CC1(CC(=O)Oc2cccc3[nH]ccc23)CCCCC1 850863598 ZWVYKHNANFDCFH-UHFFFAOYSA-N 282.343 3.937 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H]1C[C@@H](C)O 752642686 WEACAUNSRQETSS-HZPDHXFCSA-N 298.471 3.682 30 20 CHED C=CCCSCCNC(=O)N[C@H](C)c1ccc(C)s1 852285857 MQTDQIXHHULTBI-GFCCVEGCSA-N 298.477 3.726 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H]1C1CC1 754866899 YBDPKUZZZSEQOP-HNNXBMFYSA-N 266.429 3.931 30 20 CHED CO[C@@H](C=NNc1cccc([N+](=O)[O-])c1C)C1CCCC1 853303810 ZLBJZTDCGPDDQX-HNNXBMFYSA-N 291.351 3.506 30 20 CHED CC[C@@H]1CCCC[C@H]1OCC(=O)O[C@@H](C)CC(C)(C)C#N 851205426 FSBZEUIIUPNFTG-RRFJBIMHSA-N 295.423 3.843 30 20 CHED c1ccc2c(c1)CCCCC2=NO[C@@H]1CCCCO1 755825650 ZOLXKFVULDIKNO-MRXNPFEDSA-N 259.349 3.660 30 20 CHED CC(C)c1ncc(C=NNc2ccc(C#N)cc2)s1 758372177 KHFSKOGGKFMDFU-UHFFFAOYSA-N 270.361 3.584 30 20 CHED C=CCCC(=O)COC(=O)[C@H](C)CCC(C)(C)C 755140068 CATBXUAGDFUEIJ-GFCCVEGCSA-N 254.370 3.527 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(F)(F)F)nn2)C[C@@H]1C 767386853 FBRVNBWMFSDUGV-IUCAKERBSA-N 286.301 3.719 30 20 CHED COc1ccsc1/C=C1/COc2ccc(F)cc2C1=O 764431686 DSJIAGBBYKJKND-TWGQIWQCSA-N 290.315 3.555 30 20 CHED CC(=NNCC(F)(F)F)c1cc(Cl)sc1Cl 769813483 GOMJHYYDMGPGJT-UHFFFAOYSA-N 291.125 3.931 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C(F)=C1CCCC1 762606147 WDSCSCCZKZQXOV-UHFFFAOYSA-N 291.297 3.574 30 20 CHED C(#Cc1ccccc1)CN1CCC[C@H]2CCCC[C@@H]21 34629984 YFRZNYAFPNSLGF-MSOLQXFVSA-N 253.389 3.693 30 20 CHED N#C[C@@H](C(=O)CSc1ccccc1)c1ccccc1 864238394 JJIVZSHBAQZTDS-OAHLLOKOSA-N 267.353 3.655 30 20 CHED C#CCCCN[C@H](C)Cc1ccc(C(F)(F)F)cc1 766234581 YFTLXBNZLHAGAQ-GFCCVEGCSA-N 269.310 3.639 30 20 CHED CN(C(=O)c1ccc(Cl)c2occc12)C1(C#N)CCC1 930592410 XPWRVMRLOIQTND-UHFFFAOYSA-N 288.734 3.604 30 20 CHED N#CCOc1cccc(NCCc2ccc(F)c(F)c2)c1 768499115 WGAZCGWHNDFLMR-UHFFFAOYSA-N 288.297 3.522 30 20 CHED C=CC[C@@H]1N(C(=O)CSC(F)(F)F)CCCC1(C)C 767227498 FGQYAUAFOUNQOY-JTQLQIEISA-N 295.370 3.833 30 20 CHED C[C@@H]1SCCC1=NNc1nc2ccccc2[nH]c1=S 863125488 XNFYAEFMMKXPTE-QMMMGPOBSA-N 290.417 3.586 30 20 CHED C[C@H](C#N)CN(C)C1c2ccccc2-c2ccccc21 49001200 ISCJZBOIZQAMIP-CYBMUJFWSA-N 262.356 3.848 30 20 CHED CC(C)(C#N)CCCCOC(=O)C=C(C1CC1)C1CC1 768626739 HNQFKEBLBCDBAN-UHFFFAOYSA-N 275.392 3.996 30 20 CHED C=C(C)COC(=O)[C@@H](C)Sc1nc2ccccc2s1 762905296 DRPXDMWBCDSJHL-SNVBAGLBSA-N 293.413 3.896 30 20 CHED CC(C)c1cccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)n1 762092436 UGMFEVZUJAISKZ-ZDUSSCGKSA-N 294.354 3.995 30 20 CHED C#C[C@H](C)N(C)C(=O)C(C)(C)CCCc1ccccc1 767254003 YHUXXQUPCITLRW-HNNXBMFYSA-N 271.404 3.516 30 20 CHED CC#CC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1 764425153 SLALOSZPQJTASL-UHFFFAOYSA-N 284.384 3.895 30 20 CHED FC(F)(F)c1cc(C=NNC2CCCC2)cs1 863089852 MMJHBZPVRBSJCX-UHFFFAOYSA-N 262.300 3.633 30 20 CHED FC(F)(F)CON=C(Cc1ccccc1)C1CC1 764838390 DDGQIGUGHIPZQM-UHFFFAOYSA-N 257.255 3.574 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cccc2c1OCCCO2 769783350 CNJFKKFWSFZCHW-SREVYHEPSA-N 284.311 3.645 30 20 CHED CCCCCCCNC(=O)CSc1ccccc1OC 862358224 YLIRQLAYGAMXBU-UHFFFAOYSA-N 295.448 3.874 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)/C=C\c1ccccc1C#N 768935292 XASKPUPFZQBVRL-KUFHYKGKSA-N 296.414 3.999 30 20 CHED C/C(C=NNCc1ccc(C#N)cc1)=C\c1ccccc1 769821450 XCQUXSULNAEGAP-GOOPZCANSA-N 275.355 3.737 30 20 CHED C=C1CC(c2noc(C(C)(C)Oc3ccccc3)n2)C1 1119521273 QIABJZKHMAZFSH-UHFFFAOYSA-N 270.332 3.817 30 20 CHED CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)c(Cl)c1 876166403 SZPRJNLQPKJDND-COPLHBTASA-N 288.778 3.611 30 20 CHED C[C@@H]1CC(=NNc2cc(C#N)cc(Cl)n2)C[C@H](C)C1 768374772 KKJQESVANISLCL-AOOOYVTPSA-N 276.771 3.831 30 20 CHED COC(=O)Nc1cccc(NC[C@H](C)CCC#N)c1C 877496914 YSHDCDPSADARLY-LLVKDONJSA-N 275.352 3.525 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 779929695 HRRKAHDBMGFEBQ-SJLPKXTDSA-N 283.415 3.975 30 20 CHED C#CCOc1ccccc1NCc1ccccc1C 774376077 YDHAVQLDFQOCEX-UHFFFAOYSA-N 251.329 3.619 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(F)c(F)cc1Cl 776370041 ATBYFEFDIATAFF-UHFFFAOYSA-N 287.693 3.715 30 20 CHED C[C@H]1CC(C)(C)C[C@@H]1Nc1ccc(F)cc1OCC#N 775054931 BOCRFWXKSZUAAU-FZMZJTMJSA-N 276.355 3.965 30 20 CHED C#CCCCCCC(=O)NCCc1ccc(Cl)s1 779851191 WWOBCLMQKOEWNS-UHFFFAOYSA-N 283.824 3.644 30 20 CHED N#Cc1cc(C(=O)NC[C@H]2CCCCC(F)(F)C2)cs1 1117761911 NVUWSMUERCREAC-JTQLQIEISA-N 298.358 3.565 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccccc1C#N 875108314 NMICJAZFWQWWTN-ZHACJKMWSA-N 284.403 3.902 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](COCC(C)C)c1ccco1 878591657 CSXZCCJZBNHOML-AWEZNQCLSA-N 293.407 3.712 30 20 CHED CCSc1ccc(C(C)=NNCCOC(C)C)cc1 778546758 NREXCGMXVQJIQD-UHFFFAOYSA-N 280.437 3.537 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NOC1CCCC1 775489528 PPUAOOVLMLCFQY-UHFFFAOYSA-N 280.412 3.639 30 20 CHED N#CC1(CSCc2cn3cc(Cl)ccc3n2)CC1 1116476206 VUICUCCEZHKBRJ-UHFFFAOYSA-N 277.780 3.525 30 20 CHED CC1(C)C[C@@H](NC2CC(C#N)(c3ccccc3)C2)C(C)(C)O1 1116721341 GQECAZNHJGMLGO-KOHRHEQBSA-N 298.430 3.546 30 20 CHED CCOCCON=C(C)c1cccc(Cl)c1Cl 774439232 UNHYLZNQZMVWKS-UHFFFAOYSA-N 276.163 3.771 30 20 CHED CCC(CC)CNN=Cc1cn(-c2ccccc2)nc1C 774470172 GCDOLUAZXLBTLF-UHFFFAOYSA-N 284.407 3.540 30 20 CHED N#CC1(COC(=O)c2ccc(Oc3ccccc3)cc2)CC1 775826485 ATQMMQCLWVMIDH-UHFFFAOYSA-N 293.322 3.939 30 20 CHED C=C(CC)COC(=O)Cc1ccccc1C(F)(F)F 773515680 FCRMARUIDUCAEP-UHFFFAOYSA-N 272.266 3.757 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(Cl)cn1 774374315 IKGSVOUXGPETFH-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=CCN(C(=O)[C@H]1CCOC2(CCC2)C1)c1ccccc1 887912657 JFSUFUYLLMPZBL-HNNXBMFYSA-N 285.387 3.555 30 20 CHED C=C1CCC(C(=O)Oc2cccc(C(C)=O)c2)CC1 887659473 XZGWEKQDSLHCFZ-UHFFFAOYSA-N 258.317 3.541 30 20 CHED N#CCOc1cccc(NC/C=C\c2ccc(F)cc2)c1 779588878 RMEHGXSQMQUTBP-IHWYPQMZSA-N 282.318 3.853 30 20 CHED N#CCCCC(=O)O[C@@H]1CCC[C@H]1c1ccccc1 1123233145 WGUKEVVXOULBNS-LSDHHAIUSA-N 257.333 3.560 30 20 CHED CCc1nc2ccccc2n1N=Cc1scnc1C1CC1 782186823 RLSWMWOKZJRLKO-UHFFFAOYSA-N 296.399 3.815 30 20 CHED C=C[C@H]1CCCCN1Cc1cc2cccc(OC)c2o1 787309660 KZPMEMMFDOLOMB-AWEZNQCLSA-N 271.360 3.982 30 20 CHED C=C1CC(c2noc([C@@H](C)Oc3ccc(C#N)cc3)n2)C1 896889081 CCXADENXQIIYPP-LLVKDONJSA-N 281.315 3.515 30 20 CHED CC(CCCCN(C)C)=NNc1nccc2sccc12 781122506 LCMCJYLJPRGKSL-UHFFFAOYSA-N 290.436 3.816 30 20 CHED C#CCC1(C(=O)OCc2cccc(C#N)c2)CCCCC1 788212783 JDRCGESAROWGNX-UHFFFAOYSA-N 281.355 3.575 30 20 CHED N#Cc1cnc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)s1 896493658 UBCXOZVRFFCTCA-KGLIPLIRSA-N 297.383 3.537 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)cc1 896223546 HBXSCJVNODWGJK-GFCCVEGCSA-N 298.411 3.574 30 20 CHED C[C@]1(C#N)CCCN(Cn2ccc(=S)c3ccccc32)C1 784013803 OVVSZJHODZFCMO-QGZVFWFLSA-N 297.427 3.954 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc2oc(CO)cc2c1 895197470 SDMMARJEEFVDPI-NSHDSACASA-N 272.348 3.665 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1occc1C(C)C 790136018 XPXOAZHYBBIYIV-UHFFFAOYSA-N 285.299 3.502 30 20 CHED CC(C)CNN=Cc1cc(Cl)ccc1OCC1CC1 797402271 YBHSEGNWSZMWKA-UHFFFAOYSA-N 280.799 3.708 30 20 CHED CC1CCN(c2ccc(CN[C@H]3CC[C@H](C#N)C3)cc2)CC1 799717177 JZUZPRLYMLMQIL-ROUUACIJSA-N 297.446 3.705 30 20 CHED C#CCCCN1CCCN(c2cccc(Cl)c2C)CC1 792885210 BAWFWHIBNKRCSV-UHFFFAOYSA-N 290.838 3.574 30 20 CHED C=CC1CCN(C(=O)c2cc(C3CC3)cnc2Cl)CC1 793478939 AKTKPKUCTCDUNE-UHFFFAOYSA-N 290.794 3.651 30 20 CHED CC(C)[C@H](NCCCC(C)(C)C#N)[C@@H](O)c1ccccc1 794601944 VHESJBFNGJJPAB-IRXDYDNUSA-N 288.435 3.664 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cnoc1C 799487544 SYYDUHDMTDNGTC-IVMMDQJWSA-N 275.396 3.511 30 20 CHED CCC[C@@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 186105926 NAJAQNFNNAAIHI-CQSZACIVSA-N 272.392 3.590 30 20 CHED C[C@@H](c1cccnc1)N(C)CCCCC(C)(C)C#N 277592433 DJEJMGDARPOJQW-AWEZNQCLSA-N 259.397 3.794 30 20 CHED CCc1cccc(C)c1NN=Cc1csc(C)n1 799493887 UETZOHQSXPFLDU-UHFFFAOYSA-N 259.378 3.768 30 20 CHED C[C@H]1Cc2ccccc2CN1CCc1ccc(C#N)cc1 1208928862 KDUNJKYVHFEIPO-HNNXBMFYSA-N 276.383 3.548 30 20 CHED Cc1cccnc1NN=C1CC(C)(C)Cc2occc21 790184920 DDBXDCIJWWDSQU-UHFFFAOYSA-N 269.348 3.772 30 20 CHED N#Cc1ccc(OCc2cccnc2Cl)cc1Cl 190251588 QVHPDENKASURCB-UHFFFAOYSA-N 279.126 3.839 30 20 CHED Cc1cc(/C=C/C(=O)c2ccccc2C#N)cnc1Cl 799498813 OYVVBQPGPZQOGD-VOTSOKGWSA-N 282.730 3.811 30 20 CHED CC(=NNc1cccc(F)n1)c1ccccc1OC(F)F 795007860 OPJXTERUZZXOLU-UHFFFAOYSA-N 295.264 3.658 30 20 CHED CC(C)(CC#N)COC(=O)C[C@@H](CC#N)c1ccccc1 796839718 GGRQFXFLBCSRBN-OAHLLOKOSA-N 284.359 3.557 30 20 CHED N#CC1(NC(=O)/C(F)=C/C2CCCCC2)CCCCC1 798244283 XQZJHBYSHOWYPC-KAMYIIQDSA-N 278.371 3.763 30 20 CHED Cc1cc(Cl)nc(CNc2ccc(C#N)cc2)c1 799965926 XSMRYLGSQHWDLH-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CCO[C@H]1CCC[C@@H](Nc2cccc(CC#N)c2)C1 721166959 LIRCOSKRMMCDAU-CVEARBPZSA-N 258.365 3.512 30 20 CHED CCc1cccc(C)c1NN=C1C(=O)Nc2ccc(C)cc21 799493934 WBBNYUKSHZVMHJ-UHFFFAOYSA-N 293.370 3.634 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1nccn1C 790303316 RZRTWCYZWIXRAZ-UHFFFAOYSA-N 270.380 3.576 30 20 CHED CC(C)Oc1c(F)cc(N[C@H]2CC[C@H](C#N)C2)cc1F 799723240 BAXWFKFXEQTWAO-QWRGUYRKSA-N 280.318 3.856 30 20 CHED CC(C)[C@@H](C)S[C@@H](C)C(=O)Nc1ccccc1C#N 79080764 QXPLCNZDXBGMAA-NEPJUHHUSA-N 276.405 3.663 30 20 CHED CC[C@H](COc1ccc(C#N)c(F)c1)CC(F)F 594887236 IRSSLQNWXKXNCI-VIFPVBQESA-N 257.255 3.758 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)c1cccc(C#N)c1 97987303 ODCOJHMMWMJLSC-LLVKDONJSA-N 265.291 3.742 30 20 CHED C[C@H](O)CCc1ccc(OCCCC(C)(C)C#N)cc1 87599649 CDNXJCHWOPDYHS-AWEZNQCLSA-N 275.392 3.709 30 20 CHED COc1ccc(CN(C)[C@H]2CCC[C@@H](C)C2)cc1C#N 87833247 WBRWNNYCWZRSNH-CJNGLKHVSA-N 272.392 3.577 30 20 CHED COc1ccccc1OCCC1(C#N)CCCCC1 88415821 AYLFMRYMKIXREP-UHFFFAOYSA-N 259.349 3.938 30 20 CHED C=C(CC)CN1CCC[C@@H]1C[C@H](O)c1cccs1 773424741 OASHNCDIZSLHRP-KGLIPLIRSA-N 265.422 3.602 30 20 CHED CC(C)CC1(CNc2ncc(C#N)cc2F)CCC1 1162819224 SGWHUKNRXYVGPN-UHFFFAOYSA-N 261.344 3.721 30 20 CHED N#Cc1ccnc(/C=C\c2ccccc2Br)c1 1321036460 DZLAGNXMZIGVOM-WAYWQWQTSA-N 285.144 3.886 30 20 CHED N#CCc1cccc(N2Cc3ccccc3C3(CCC3)C2)n1 1326462215 HRSRVRYSXSXMSK-UHFFFAOYSA-N 289.382 3.590 30 20 CHED Cc1cc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)ccn1 1323615330 IIEZMVAZZVSBPM-UHFFFAOYSA-N 296.717 3.632 30 20 CHED N#Cc1ccc(-c2nnc(-c3cc4ccccn4c3)o2)cc1 1328347878 KSHRBHCCVDOQPU-UHFFFAOYSA-N 286.294 3.528 30 20 CHED CC[C@H](NCCOc1ccccc1C#N)c1ccc(F)cc1 1320043494 MHFSAJOZFVKWIR-KRWDZBQOSA-N 298.361 3.817 30 20 CHED Fc1ccc(CCC=NNc2cc(Cl)ccn2)cc1 1256729957 OOQMOGBHLORNQA-UHFFFAOYSA-N 277.730 3.905 30 20 CHED COc1ccccc1SCCc1ccc(C#N)cc1 1188692133 KIHBSWGXWYEDGF-UHFFFAOYSA-N 269.369 3.902 30 20 CHED N#Cc1cccc(C#N)c1NCC[C@H]1C[C@H]2CC[C@H]1C2 1185148555 CZCZIBYAXANMQC-IHRRRGAJSA-N 265.360 3.668 30 20 CHED CC(F)(F)c1ccccc1NCc1cccc(C#N)n1 1181870723 QXFJBLRYHSLRPM-UHFFFAOYSA-N 273.286 3.677 30 20 CHED C=C(Cl)COC(=O)c1cc(C)nc2cc(F)ccc12 1335575844 NPVNZJXINMKDAY-UHFFFAOYSA-N 279.698 3.592 30 20 CHED C[C@H](CC(=O)N[C@H](C#N)C1CCCC1)c1ccc(F)cc1 1331978837 JEWKGFYSQUXRMJ-MLGOLLRUSA-N 288.366 3.518 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cnc(Cl)cc1C#N 1262797458 OMFKGXYKHJLUEM-GHMZBOCLSA-N 291.782 3.762 30 20 CHED C=C(CC(C)C)C(=O)N1CCCC[C@H]1c1nccn1CC 1349800722 ZBJJTFQGVHNOIZ-HNNXBMFYSA-N 289.423 3.559 30 20 CHED C=C(CNC(=O)c1ncccc1SCC)c1ccccc1 1274942297 SRMVEEBZHFMNRS-UHFFFAOYSA-N 298.411 3.637 30 20 CHED C=C(C)CCC(=O)N1CCCCC[C@H]1c1ccncc1 1357754833 YQFZPAKIBNLAPY-INIZCTEOSA-N 272.392 3.882 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)C1CC(F)(F)C1)c1cccs1 1515586551 CHIBXBPGGLYICO-CABZTGNLSA-N 299.342 3.927 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1cc(C#N)ccc1F)CCC2 1360109226 YKGZAXLUZWEDJG-UHFFFAOYSA-N 294.329 3.599 30 20 CHED CC1(C)CC(NC(=O)c2cc(C#N)cs2)CC(C)(C)C1 1520792529 QKCVWJIGAHOIOT-UHFFFAOYSA-N 290.432 3.954 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)C1CCC1)c1cccs1 1525965259 YRFRKBSYNIXQPO-ZWNOBZJWSA-N 263.362 3.682 30 20 CHED COc1ccc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)cc1C#N 1535536897 QARNCEPYCPWIRX-YNEHKIRRSA-N 286.375 3.578 30 20 CHED C=C1CCC(CNCc2cc(C(=O)O)c(C(C)C)[nH]2)CC1 1602791919 FYTSZTONOGVRKN-UHFFFAOYSA-N 290.407 3.672 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C(=O)O)c2ccccc2c1 1602837391 QTYFERZBTAGWQQ-NSHDSACASA-N 298.342 3.624 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc2c1NCCC2 1474339867 PYOSCOFLGGUWNH-UHFFFAOYSA-N 285.435 3.806 30 20 CHED CC(C)(C)[C@@H](N=c1cc[nH]c(C#N)c1)c1cccc(F)c1 1472731220 CWENIRSLOSVAJW-INIZCTEOSA-N 283.350 3.714 30 20 CHED CCC[C@H](NC(=O)c1ccc(C)c(C#N)c1)C1CCC1 1556981081 YJCLZZVNXQMCJE-INIZCTEOSA-N 270.376 3.565 30 20 CHED Cc1cc2c(NC(=O)[C@@H]3CCC[C@H](C)C3)n[nH]c2cc1C#N 1557353888 ZFYOGURFYOVFHN-CMPLNLGQSA-N 296.374 3.508 30 20 CHED Cc1cc(CN2CCC[C@H](C#N)C2)ccc1C(F)(F)F 1653090868 GEWGXBCHBJQHSV-CYBMUJFWSA-N 282.309 3.749 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)[C@@H]1CC1(C)C 1653107351 QJEBRHUZNPBQEM-DZGCQCFKSA-N 260.356 3.612 30 20 CHED C[C@@H]1C(=NNc2ccc(C(=O)O)c(F)c2)CCC[C@H]1C 1776074948 DHKSWERIRNHWNG-ZJUUUORDSA-N 278.327 3.748 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(C)c2)ccc1C(=O)O 1776127623 YRCQDIQXDVPPSU-VQHVLOKHSA-N 296.322 3.598 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)C[C@@H]1C=CCC1 1776051631 TWVZVIPJDUVLAN-GFCCVEGCSA-N 288.347 3.538 30 20 CHED CC(C)(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 5496136 POJHQTHAKMHZDM-UHFFFAOYSA-N 250.729 3.586 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1nccn1C(C)C 160870633 IAEHWEXQUGQBRI-UHFFFAOYSA-N 296.418 3.746 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1N(C)C1CCCC1 157601686 DIRSSVLTZXBRMB-UHFFFAOYSA-N 287.407 3.763 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC(F)F)c1 274604214 IPMYRTQTAADYRU-GMXVVIOVSA-N 280.318 3.631 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)c2ccccc2C)cc1 8322500 LIECEZWXJHJVJU-FMIVXFBMSA-N 279.339 3.850 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccnn1CCC(C)C 547669585 LNNWOVCTLPJWOB-AWEZNQCLSA-N 292.427 3.796 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2Cc2ccccc2C#N)C1 104131103 VAIKZPPUOMJAHP-FUHWJXTLSA-N 268.404 3.959 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 8321621 BBECTEJMVJPQHC-LFYBBSHMSA-N 296.322 3.680 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1[C@H]1CCCC1=O 124563261 SJIKVMQJKRWVAW-HUUCEWRRSA-N 279.424 3.707 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1snc(Cl)c1C#N 301955990 MBMUAURFVLHKOV-SFYZADRCSA-N 257.790 3.905 30 20 CHED C[C@@H]1CC[C@H](Nc2c(Br)cccc2C#N)C1 1307210309 HAPDNQKIKKYFJY-KOLCDFICSA-N 279.181 3.921 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1cccs1 20148586 HSNNKGIRJZWRKU-CYBMUJFWSA-N 271.385 3.611 30 20 CHED N#Cc1ccccc1NC(=O)c1cc(F)c(F)cc1Cl 20502088 DLSLAPCLBYHSHV-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H]3CCCC[C@@H]3C2)n1 40418610 ICWCTGGTXNPRGL-LSDHHAIUSA-N 269.392 3.587 30 20 CHED CN(Cc1cccc(F)c1)c1ccc(C#N)c(Cl)c1 61850794 UDJUSEGIVKJOSO-UHFFFAOYSA-N 274.726 3.987 30 20 CHED CCCC[C@@H](CC)C(=O)N(C)c1ccc(C#N)cc1 61954767 VVVDWJUGKDTORD-CQSZACIVSA-N 258.365 3.737 30 20 CHED Cc1csc(CN[C@@H](C)c2cccc(C#N)c2)c1 344609697 JHTFOWPRMBLATE-LBPRGKRZSA-N 256.374 3.779 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1CCC 462033528 OGKYOCNSYMBRTL-HZPDHXFCSA-N 257.377 3.637 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2nc(Cl)c(C#N)s2)C1 307805471 BICMBVAUVHPBRB-VIFPVBQESA-N 283.828 3.931 30 20 CHED Cc1cccc(CNc2cccc(CC#N)c2)c1C 313404990 AUVPYRVDYWZZGW-UHFFFAOYSA-N 250.345 3.982 30 20 CHED N#Cc1cccc(NC(=O)c2cccc(F)c2Cl)c1 90866077 YPPRLFGWESTXPB-UHFFFAOYSA-N 274.682 3.603 30 20 CHED FCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 388460400 AKKHSGLNYMMPFF-UHFFFAOYSA-N 289.194 3.783 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)CCS1 380386298 YPFPGLAECAEWJI-NSHDSACASA-N 280.824 3.539 30 20 CHED N#Cc1cc(Br)ccc1N1[C@H]2CCC[C@H]1CC2 380824034 YRPJHUQTMUFAHD-STQMWFEESA-N 291.192 3.842 30 20 CHED C=CCC(C)(C)CNCc1cnc(N(CC)CC)s1 389197051 QGPKLMUMQBZUIY-UHFFFAOYSA-N 281.469 3.681 30 20 CHED CCCN(CCC#N)Cc1ccccc1Br 346664973 ZTEYBOCSOPHRHE-UHFFFAOYSA-N 281.197 3.575 30 20 CHED CCC[C@@H](CC)Nc1ncc(Br)cc1C#N 309171811 AQPNCJMYHUPMBS-LLVKDONJSA-N 282.185 3.706 30 20 CHED N#CCCCCN[C@H]1CCc2ccc(OC(F)(F)F)cc21 178650037 RFSMSBMJUNDGCD-AWEZNQCLSA-N 298.308 3.856 30 20 CHED C=C[C@H](CC(=O)NOCc1ccccc1)c1ccccc1 179356719 CKELZKNQAMCMHR-MRXNPFEDSA-N 281.355 3.594 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OC(F)(F)F)cc1 57158126 QHGQIPJNBNNIRX-UHFFFAOYSA-N 287.281 3.623 30 20 CHED CCN(CC)c1ccc(NC(=O)c2cc(C#N)cs2)cc1 176811398 PJCIUAJDXFXUFX-UHFFFAOYSA-N 299.399 3.718 30 20 CHED C=CCCC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 116136935 NVPYNBIHCIXSCP-AWEZNQCLSA-N 295.835 3.923 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccc2ccccc2c1 69312802 KWTTWFYQOGAXSC-CYBMUJFWSA-N 270.328 3.726 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1 173881987 AGQJBMLREDSZIJ-HUUCEWRRSA-N 282.387 3.862 30 20 CHED C=CCN1CCC(N[C@H](CC)c2ccc(F)cc2F)CC1 177909435 BSFVPXFHGAVHLI-QGZVFWFLSA-N 294.389 3.656 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](C)c1sc(CC)nc1C 176864463 KWYSUYLXKCDYGR-CMPLNLGQSA-N 295.452 3.681 30 20 CHED Cc1cccc2c1CC[C@H]2NCC(C)(C)CCC#N 348198718 OUYGTLPKUMJJCO-MRXNPFEDSA-N 256.393 3.902 30 20 CHED CCC(=CC(=O)Nc1sc2c(c1C#N)CCC2)CC 177095071 TZPJAUDAGFGCQD-UHFFFAOYSA-N 274.389 3.793 30 20 CHED N#CCCCOc1cccc(Nc2cncc(Cl)n2)c1 302840443 CENNELUGJSEUSM-UHFFFAOYSA-N 288.738 3.556 30 20 CHED N#Cc1cc(C(=O)Oc2ccc(OCC3CC3)cc2)cs1 1341930113 MKDNETNNDRBQDC-UHFFFAOYSA-N 299.351 3.628 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(CC#N)cc2)cc1 179983034 HIBXHLAMAPTOEY-OAHLLOKOSA-N 292.382 3.878 30 20 CHED CC1(C)CC[C@@H](CNc2nccnc2C#N)c2ccccc21 301936527 QHDPUDYSPRNTRZ-ZDUSSCGKSA-N 292.386 3.615 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Sc2cc(F)ccc2F)c1 302203464 ITWWRCSMLRMERU-UHFFFAOYSA-N 292.266 3.896 30 20 CHED CC(C)C1(CNCc2ccc(O[C@H](C)C#N)cc2)CC1 175802188 ULNGGFUIYWAZDT-CQSZACIVSA-N 272.392 3.503 30 20 CHED N#Cc1cccc(OCc2cccc(OC(F)F)c2)c1 64853729 ULGDCHXHEIALNX-UHFFFAOYSA-N 275.254 3.739 30 20 CHED Cc1cc(N(C)C)ccc1CNc1ccc(C#N)cc1F 301301302 RIOBMXHSAZQCTP-UHFFFAOYSA-N 283.350 3.684 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@@H]1C 409713240 VXVFUKNBNMEEGZ-JSGCOSHPSA-N 278.421 3.634 30 20 CHED N#Cc1ccc(NCCSc2ccc(Cl)cc2)cn1 301603192 WUXVXYLOHJHUPN-UHFFFAOYSA-N 289.791 3.811 30 20 CHED CC(C)C[C@H]1CCN(c2c(C#N)cnc3ccccc23)C1 301420930 IEGXQPONTQLLLN-CQSZACIVSA-N 279.387 3.979 30 20 CHED N#Cc1cccc(CN2CC[C@@H](c3ccccc3)C2)c1F 219519152 LBRWNOPUPNWUEV-MRXNPFEDSA-N 280.346 3.687 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 128486655 KQEPJHYYYKYGBL-XJKSGUPXSA-N 288.391 3.506 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)CC2CCC2)CC1 187284188 RIRZXQWZRKUKHD-UHFFFAOYSA-N 276.424 3.791 30 20 CHED C=CCN(C)Cc1csc(-c2ccc(OCC)cc2)n1 121317272 YKUOGOMZQQFKAI-UHFFFAOYSA-N 288.416 3.827 30 20 CHED CCCCCCCCSc1nnc(N)n1C1CC1 125609286 BGFKGFVMRWPGAZ-UHFFFAOYSA-N 268.430 3.648 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc(C(C)(C)C)s1 426553801 RLZQGDSNVPQQPD-LBPRGKRZSA-N 264.438 3.981 30 20 CHED C=CCN1CCC(N[C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 187977287 TWKCKMRFSXUKEU-UXHICEINSA-N 298.474 3.737 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)c(Cl)c1 187794541 JTMYWIYZVJQZFC-AWEZNQCLSA-N 285.746 3.646 30 20 CHED CCCC(CCC)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 410626155 PAYNZYWDQPRRPH-CJNGLKHVSA-N 264.413 3.791 30 20 CHED N#Cc1cccc(CN2CCCc3cc(F)ccc32)c1 506162400 LHYFQBLQPCUZKL-UHFFFAOYSA-N 266.319 3.650 30 20 CHED Cc1nc(CC(C)C)sc1C(=O)[C@H](C#N)c1ccccn1 70032739 JDCGTJUFCOCBER-GFCCVEGCSA-N 299.399 3.535 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(OC(C)C)cc1 501003925 YAFBYFFTTJZNFR-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 412880794 IOMCGHHKHTYSGZ-HOCLYGCPSA-N 287.403 3.517 30 20 CHED C[C@@H](CCC#N)Sc1nc2ccccc2c(=O)n1C1CC1 188273165 JGAJOPUVUOKUHZ-NSHDSACASA-N 299.399 3.516 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 185623152 LBQIEWQIWNYTPF-UKRRQHHQSA-N 287.378 3.580 30 20 CHED Cc1cc(COc2ccc(C#N)cc2)c2ccccc2n1 73969130 QBINCESUSDTGSG-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=C[C@H](CC(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 129323561 ACQCSOLLWBSFEQ-CYBMUJFWSA-N 291.354 3.861 30 20 CHED C=CCOCCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C 79634080 MPMJJFARXGPWMK-KRWDZBQOSA-N 289.419 3.873 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC12CCCC2 412836198 FRANIDJPNGTNLW-IRXDYDNUSA-N 283.415 3.870 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](C)c2ccccc21 185332850 LGZLVCAIGWREEU-CQSZACIVSA-N 255.361 3.720 30 20 CHED C=C[C@H](CC(=O)OCC1(C#N)CCC1)c1ccccc1 183900611 LYQPONRMUZWHIQ-CQSZACIVSA-N 269.344 3.583 30 20 CHED C=CCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1C(C)(C)C 508895022 MTKVNMVMRREPEH-ZDUSSCGKSA-N 290.455 3.634 30 20 CHED CSc1ccc(C)c(C(=O)OCC2(C#N)CCC2)c1 183911094 AYGSVCLINXURLH-UHFFFAOYSA-N 275.373 3.568 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 412320358 VYAOWFGHTGDQGC-QLFBSQMISA-N 277.795 3.914 30 20 CHED C=C(C)[C@@H](NC(=O)C[C@H](C)SC)c1ccc(F)c(F)c1 186082158 IAHFPXWFLSARBX-ZUZCIYMTSA-N 299.386 3.840 30 20 CHED C=CCCNc1cc(C(=O)OC)c(Br)cc1C 506194706 SMOYFPYLAAQTFT-UHFFFAOYSA-N 298.180 3.532 30 20 CHED Cc1ccc(C(C)(C)CN[C@H]2CCC[C@@H](C#N)C2)cc1 185813588 QGFLONQOGPLYMD-WBVHZDCISA-N 270.420 3.945 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N(CCC#N)CC(C)(C)C 185940689 GAUINQXEEFUIOJ-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1 211154914 DPBKQBSZCOOPBB-BAQGIRSFSA-N 288.249 3.559 30 20 CHED CCCCCCCCC(=O)NCc1ccncc1C 188879343 ZHQQRYQRCBNIOR-UHFFFAOYSA-N 262.397 3.757 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H](C)SC)c1 76831185 RXWYGVKOSLMMBA-CYBMUJFWSA-N 299.395 3.546 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc(O)c([N+](=O)[O-])c1 136508844 ORSIWBYZDINYLN-SNAWJCMRSA-N 289.312 3.566 30 20 CHED C[C@H](O)C[C@H](CNc1ccc(C#N)cc1)c1ccccc1 133596907 JLTHIWATGHXZPT-WMLDXEAASA-N 280.371 3.525 30 20 CHED Cc1cccc(C)c1CC(=O)Nc1cccc(C#N)c1C 181573336 YLRUHSQTTQZESX-UHFFFAOYSA-N 278.355 3.665 30 20 CHED Cc1ccc(CCN[C@H]2CCC[C@H](C#N)C2)c(C)c1 185800820 KLTWYWSHHMQOGU-RDJZCZTQSA-N 256.393 3.518 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](CCC)NC(C)C)CCCC1(C)C 509094833 QUMXVWNBLKNJQH-HOTGVXAUSA-N 294.483 3.746 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410964234 HJQCWHNHFKBGCW-DOMZBBRYSA-N 276.767 3.781 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1ccc(C2CC2)cc1 419333704 FYVBHRZYTHGSRL-KGLIPLIRSA-N 267.376 3.658 30 20 CHED OC(=Nc1csc(-c2ccccn2)n1)[C@H]1C[C@@H]1C1CC1 329427324 JFFGETPIJSSEPJ-MNOVXSKESA-N 285.372 3.839 30 20 CHED C[C@H](OC(=O)/C=C/c1ccccc1C#N)c1ccccc1 192694778 JYDHDDROIXJZNK-GETOMWPZSA-N 277.323 3.876 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCOCC1CCC1 419202391 DJALPLKDLZFDCM-RTBURBONSA-N 298.430 3.575 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1conc1CC 507314870 BVCOOGZSIQQQGH-UHFFFAOYSA-N 283.375 3.521 30 20 CHED CCCC1(C/N=C(/O)Nc2scnc2C2CC2)CC1 328924185 NLVJGYXYGWVDME-UHFFFAOYSA-N 279.409 3.927 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)Nc2cn(C)nc2-c2ccccc2)C1 328602067 GOGYDGXLJVEZTC-OCCSQVGLSA-N 298.390 3.602 30 20 CHED C=CCN(Cc1cnn(C(C)C)c1)c1ccccc1 191971993 VDVKTGBLFKKZQZ-UHFFFAOYSA-N 255.365 3.657 30 20 CHED C[C@@H]1CCC[C@@H](C)C1/N=C(/O)c1cnc2cnccc2c1 328642568 GAJQFDVAUBNOEO-VXGBXAGGSA-N 283.375 3.759 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 424741722 UEWPMSBLGOHJDW-HYVNUMGLSA-N 284.403 3.974 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@@H](N[C@@H]2CC[C@H](C#N)C2)C1 424322141 HXAMONOQLKGSJM-YLFCFFPRSA-N 283.419 3.698 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCOCC1CCCC1 425531247 HEIMPNJXXWURIM-HNNXBMFYSA-N 286.419 3.758 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(Cl)ccc2F)C1 612406232 JZBWJEBJYXTLBQ-AWEZNQCLSA-N 266.747 3.605 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc4ncccc4c3)no2)cc1 322892938 DNYKJIBUDSLCEM-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CCN(CCC#N)[C@H](C)c1ccc(OC(F)F)cc1 81040651 OSTCQQVSKLNZEE-LLVKDONJSA-N 268.307 3.585 30 20 CHED N#Cc1cccc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)c1 192200027 ABNJOEIOCUHQOY-UHFFFAOYSA-N 295.346 3.583 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(Br)s2)C1 612158675 ODJQQHGYUZOBCP-GFCCVEGCSA-N 299.237 3.636 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@@H]2c2ccsc2)n1 160613812 WKKXCZJFYFDKHB-CQSZACIVSA-N 269.373 3.665 30 20 CHED CCc1cc(C#N)c(N=C(O)[C@H]2CCC(=O)[C@@H](C)C2)s1 329407462 XMKXQBVSZGZIFN-UWVGGRQHSA-N 290.388 3.775 30 20 CHED C=CCC[C@H](C(=O)NC[C@@H]1CC1(C)C)c1ccccc1 426835583 RQIZGFMQXLKHGD-HOTGVXAUSA-N 271.404 3.899 30 20 CHED Cc1noc(C)c1C/C(O)=N/[C@@H]1CSc2ccccc21 329567606 PGKQLEDXHHLJNN-CYBMUJFWSA-N 288.372 3.637 30 20 CHED N#Cc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)s1 421393368 RPCWORBIQRFXSW-JTQLQIEISA-N 288.338 3.784 30 20 CHED C=C(CN[C@H]1CCc2cccnc2CC1)c1ccccc1 421823106 CBHDZALKDNXRHB-SFHVURJKSA-N 278.399 3.632 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1)c1ccc(F)cc1 513185376 ZBSXGGKXALHCCP-LBPRGKRZSA-N 254.308 3.913 30 20 CHED CSc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1Cl 336215335 BCSTVZZLVAOBHF-ISVAXAHUSA-N 280.780 3.550 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 333222733 MORZOBGBVNWICV-WBVHZDCISA-N 295.386 3.519 30 20 CHED CCN(Cc1ccc(CSC(F)F)o1)C[C@@H](C)C#N 91983819 XMYUVSPLRUOZOA-JTQLQIEISA-N 288.363 3.717 30 20 CHED CCc1ocnc1/C(O)=N/CCCC1CCCCC1 330832789 HLQKREBKFTZHOI-UHFFFAOYSA-N 264.369 3.902 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC(C)(C)CC(C)=O 336888644 HWMHATRKLRNSEA-UHFFFAOYSA-N 294.439 3.560 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N(C)CC(C)(C)C)c1C 331142096 RJNXGXQUGBYEGC-LLVKDONJSA-N 280.416 3.686 30 20 CHED N#Cc1ccccc1NCc1ccc(OCC2CC2)cc1 438929048 SHOSFSLYSLUHLO-UHFFFAOYSA-N 278.355 3.959 30 20 CHED CCc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc1 433114399 GCXQOXLPDCOPDN-QGZVFWFLSA-N 292.382 3.960 30 20 CHED CC[C@@H](C)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 439953782 YBZNVLUREAEKMC-GFCCVEGCSA-N 285.309 3.667 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccccc1Cl 435667976 SDYQQNFIAHUYBM-ZENOOKHLSA-N 279.811 3.972 30 20 CHED N#Cc1ccnc(N2CCC=C(c3ccccc3)C2)c1Cl 343163883 UCJCCAUEUHKQOK-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)CCC#N)c1cccc(F)c1 345910347 PKXPRUAHCZYKQN-ZDUSSCGKSA-N 290.382 3.765 30 20 CHED CC(F)(F)c1ccc(CNc2ccc(C#N)nc2)cc1 432160759 BHKGNDKAJHOJOG-UHFFFAOYSA-N 273.286 3.677 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)C(F)(F)F 345736305 RENRKVRNFOTFKA-SECBINFHSA-N 299.296 3.517 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCCC(C)C 436298869 IARZBUXIZFXAEE-OAGGEKHMSA-N 253.430 3.772 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccs1 247991933 KYCBJIORCVLEKH-UHFFFAOYSA-N 284.384 3.671 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@@H]1c1ccccc1 347242846 BOOARBLAZVKFOS-QGZVFWFLSA-N 278.355 3.514 30 20 CHED C[C@H](CN(C)CCC#N)Oc1ccc(Cl)c(Cl)c1 346477832 DVJLECWXNQGBKR-SNVBAGLBSA-N 287.190 3.606 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2cccnc2)cc1 344731543 QABIWLIAHHFRAA-CYBMUJFWSA-N 297.358 3.960 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CC(c2ccccc2C)C1 436290461 YXUMXYZAZXIMPF-BOMAWHNGSA-N 285.431 3.812 30 20 CHED CCCOc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1 603807354 PTPRTJLFIGCZHQ-UHFFFAOYSA-N 277.327 3.890 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(OC(F)F)ccc1F 529257508 NCMHBZPLGDHPDO-VIFPVBQESA-N 287.281 3.512 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2ccncc2)cc1 255492823 HDGHNCLXPSEMAN-YFHOEESVSA-N 280.371 3.824 30 20 CHED COc1cccc(N=Cc2cc3ccccc3nc2O)c1 254975310 PJQVOTKNGQSDDJ-UHFFFAOYSA-N 278.311 3.700 30 20 CHED C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(C#N)cc1 183390380 XGVZKPVBGMHBIP-GFCCVEGCSA-N 268.364 3.683 30 20 CHED CCOc1ccc(N=Cc2ccccc2O)cc1F 255196530 NZTLDJHWMWCWKY-UHFFFAOYSA-N 259.280 3.681 30 20 CHED Cc1ccc(CN2CCCC2)cc1N[C@@H]1CC[C@@H](C#N)C1 442857770 NVBLKWYELPVOBZ-NVXWUHKLSA-N 283.419 3.695 30 20 CHED C[C@@H](CCC#N)CN1CC[C@H](Oc2ccccc2Cl)C1 602484533 OACKBHSUKFHTAM-KBPBESRZSA-N 292.810 3.733 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CC(C)(C)Oc2cc(F)ccc21 602570057 GZAUENYOGPDLRF-IUODEOHRSA-N 290.382 3.957 30 20 CHED C=CCSCCNCc1ccc2ccc(F)c(F)c2n1 602544548 LCZUHNQEPBSVMV-UHFFFAOYSA-N 294.370 3.522 30 20 CHED CCc1oc2ccccc2c1CN(C)C[C@H](C)C#N 352091892 MMEYUXAYLRWOGF-GFCCVEGCSA-N 256.349 3.587 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1ccc(C)cc1 539715716 PDTWNNFJZSLNPA-ZFWWWQNUSA-N 260.381 3.710 30 20 CHED C[C@@H](c1ccccc1)N(CCCSCC#N)C1CC1 352828440 DJXMETXJVPATSF-AWEZNQCLSA-N 274.433 3.859 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)Cc1cccc(C(F)F)c1 448343722 WIAWDGHMEIGCBO-INIZCTEOSA-N 294.345 3.611 30 20 CHED C=C(CC)CN1CCN(c2cccc3cnccc23)C[C@H]1C 447391220 JARKYQRYLCJUMJ-MRXNPFEDSA-N 295.430 3.712 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(CC(F)(F)F)c1 353390016 SOBDJGYTGGZJHP-ZDUSSCGKSA-N 284.281 3.670 30 20 CHED C=CC[C@@H]1N(Cc2ccc(C(=O)OC)o2)CCCC1(C)C 444787803 SHRVMIOGSWFWGP-HNNXBMFYSA-N 291.391 3.633 30 20 CHED N#Cc1ccc(N2CC[C@H](CSc3ccccc3)C2)cn1 267374903 KMSJQGMHPUKPIX-AWEZNQCLSA-N 295.411 3.572 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](c2ccco2)C1 614962671 CFBQBLCTFJKYFB-BBRMVZONSA-N 266.344 3.702 30 20 CHED Cc1ccc(-c2cnc(CN(CC#N)C3CCCC3)o2)cc1 266525415 KGXLFBIMKYCJJS-UHFFFAOYSA-N 295.386 3.918 30 20 CHED C=CCN(C(=O)C[C@H](c1ccccc1)C(C)C)C1CC1 539033333 AJYDMWOPUHCZJW-KRWDZBQOSA-N 271.404 3.993 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C 538553022 YUTCOERXWTUMQE-MJBXVCDLSA-N 269.429 3.543 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nnc(C2CC2)n1CC 358763070 ZGMNNJAJVSZJJR-UHFFFAOYSA-N 296.418 3.758 30 20 CHED C(=N/OCc1ccn(C2CCCC2)n1)\c1cccs1 268625739 WJRMRNDGRUGOGP-XNTDXEJSSA-N 275.377 3.610 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(C)(C)C(C)C 448131824 BMSDIOPRJPYDON-UHFFFAOYSA-N 265.422 3.945 30 20 CHED C=CCC[C@H](Nc1ccc(OC)nc1)c1ccco1 353621327 LYWIHUGIRZNQEP-ZDUSSCGKSA-N 258.321 3.803 30 20 CHED C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 266860652 JOAFBUBAYNGTIA-DNVCBOLYSA-N 292.382 3.782 30 20 CHED C=CCC(C)(C)c1noc(CCCC(=O)C(C)(C)C)n1 453181405 BXYGMMNHDSFASR-UHFFFAOYSA-N 278.396 3.861 30 20 CHED C=C[C@@H](C)NC(=O)c1sc2ccc(F)cc2c1C 362592659 OZGBUOUMGINXKR-MRVPVSSYSA-N 263.337 3.653 30 20 CHED C=CCC[C@H](NCC1(c2ccccn2)CCC1)C1CC1 367713203 QSUJHQLZMNUBOH-INIZCTEOSA-N 270.420 3.838 30 20 CHED C=C[C@H](CC(=O)NC12CCC(CC1)C2)c1ccccc1 364656397 KQWZIJSWMUEHHQ-SWKXRBFHSA-N 269.388 3.795 30 20 CHED C=C(C)CCNC(=O)Nc1cc(SC)ccc1C 455077264 TXXRXWZZTMAKQT-UHFFFAOYSA-N 264.394 3.805 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccc(F)cc1Cl 450674808 SWYJXMORLNRSEC-SNVBAGLBSA-N 266.747 3.824 30 20 CHED CCC[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 610936293 UNSPMWLLYNYEPN-LBPRGKRZSA-N 289.379 3.656 30 20 CHED Cc1c(C#N)c(SCc2ccc(F)cn2)nc2c1CCC2 276085646 JBUJKFBCNIWEGE-UHFFFAOYSA-N 299.374 3.577 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC2CCCCC2)cc1 279763485 ZECLEKQQLMQHGM-UHFFFAOYSA-N 270.376 3.550 30 20 CHED N#CCc1ccc(COC(=O)C2(c3ccccc3)CC2)cc1 271882049 PNRAPHZCWYONSZ-UHFFFAOYSA-N 291.350 3.528 30 20 CHED Cc1ccc(CCCN[C@@H]2CC[C@H](C#N)C2)c(C)c1 619672184 YBZFWNGGHHAAJP-DOTOQJQBSA-N 256.393 3.518 30 20 CHED N#CCc1cccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 455923120 SKVCDIZNJLPJMY-IRXDYDNUSA-N 297.402 3.843 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H](CC(C)C)c1ccccc1 611250527 KJTUPVZXTOAANY-DLBZAZTESA-N 286.419 3.871 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CCCC)c1ccc(OC)cc1 362372424 ZRGRECDGBGWFJK-XJKSGUPXSA-N 290.407 3.800 30 20 CHED C[C@@H](NC(=O)N(C)[C@H](C)c1ccco1)c1cccc(C#N)c1 610356437 SAVBGQMRGHMHCG-CHWSQXEVSA-N 297.358 3.615 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1 455374935 YGFKBFSXRVZJJI-LBPRGKRZSA-N 278.371 3.740 30 20 CHED C=C(C)COCCN[C@H]1CCC[C@@H]1Cc1ccccc1 547362902 ZKRCUKWDVJUGTJ-MSOLQXFVSA-N 273.420 3.580 30 20 CHED C=CCN(Cc1cccc(SC(=O)N(C)C)c1)C1CC1 271337092 BNJKFMSORNTWHD-UHFFFAOYSA-N 290.432 3.611 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)NCC(C)(C)CC#N 457988330 CBSFQZPYBAXHIA-HNNXBMFYSA-N 278.440 3.895 30 20 CHED C=CCC1(NCc2nc(CC(C)C)no2)CCCCC1 625937544 FDQHWXCMCGGXNX-UHFFFAOYSA-N 277.412 3.637 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(F)cc2cccnc12 620857629 COTHQWUTUSFACQ-UHFFFAOYSA-N 286.350 3.849 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnn(CC(C)C)c1CC 622980687 JINWTACAONGQGV-UHFFFAOYSA-N 291.439 3.576 30 20 CHED COC1(c2noc(-c3cccc(C#N)c3C)n2)CCCCC1 453225745 BPWCRRXSKRMMOR-UHFFFAOYSA-N 297.358 3.723 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1C[C@H]1C(C)C)c1ccccc1 456293247 GGVIIGMVXUJVNM-ULQDDVLXSA-N 271.404 3.755 30 20 CHED C=CCN(C(=O)c1cc(C)nc2ccccc12)C(C)(C)C 622943021 KUUQSTRSPLMGRO-UHFFFAOYSA-N 282.387 3.970 30 20 CHED C#CCCCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 271051700 QAJSGRPYPRTSHR-MRXNPFEDSA-N 295.386 3.677 30 20 CHED C=CCC1(NC(=O)CC2CC(F)(F)C2)CCCCC1 456374423 WWTVUUVGRASLHR-UHFFFAOYSA-N 271.351 3.817 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1NCCC)OCC 276892554 UOWRQIFFTBMGHB-MRXNPFEDSA-N 290.407 3.818 30 20 CHED C[C@H](N[C@H]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 540702852 XTAYNHLGJJBJRI-MKBNYLNASA-N 260.356 3.927 30 20 CHED C=CCN(C(=O)NCCC1=CCCCCC1)C1CC1 468316984 PRSRHULYGPKZEV-UHFFFAOYSA-N 262.397 3.627 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@H]1CCC2(CCCCC2)O1 545256866 BDXDSCHCPAHWOO-LSDHHAIUSA-N 294.439 3.522 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1noc(C)n1)c1ccc(F)c(F)c1 289312025 CURCFMXCESULJI-YMTOWFKASA-N 293.317 3.624 30 20 CHED C=CCOCCCOc1ccc(C(F)(F)F)cc1F 558467590 SIDSPWQQTVTLFC-UHFFFAOYSA-N 278.245 3.816 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccccc1OCC 466325968 PNNVWIZCASXOFS-OAHLLOKOSA-N 290.407 3.581 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)n(C2CCCCC2)n1 289990236 YVRCJPCRJWLYBY-GFCCVEGCSA-N 290.411 3.783 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@H]1[C@H](C)CCC 558455931 NIFPBFPRYTTXTC-CABCVRRESA-N 290.455 3.993 30 20 CHED C=CCCCc1nc(CCn2ccc3ccccc32)no1 460150386 MLICBOBNHIDGFO-UHFFFAOYSA-N 281.359 3.776 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)[C@H](C)c1cc(C)ccc1C 460546633 VMCCVISMZARHAF-OAHLLOKOSA-N 298.434 3.977 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 469845613 DDWDCJQZTVWLPY-UHFFFAOYSA-N 288.391 3.830 30 20 CHED CC(C)(C#N)CCCN[C@H](CCO)c1ccc(Cl)cc1 286664327 AZZLQXHBCNIHJX-OAHLLOKOSA-N 294.826 3.683 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 281185225 ZDUUHEQZSMHKIC-UHTWSYAYSA-N 279.330 3.539 30 20 CHED C=C(Cl)CNC(=O)N1CC(C)(C)[C@H]1c1cccs1 288932864 UEQYHKGALMELCR-LLVKDONJSA-N 284.812 3.593 30 20 CHED C=C[C@H](C)NC(=O)CC1(CSc2ccccc2)CC1 472356684 UKSNFBRTXSINRR-ZDUSSCGKSA-N 275.417 3.640 30 20 CHED C[C@@](C#N)(NC(=O)c1ccc(F)cc1F)C1CCCCC1 557901334 ZACBOWQHZGXQHN-INIZCTEOSA-N 292.329 3.557 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 475662798 AFQGKPKLJLOJHM-DLOVCJGASA-N 297.185 3.515 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C)nn1CCCCC 556512174 IGKQQMNISBMGBW-UHFFFAOYSA-N 277.412 3.923 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 297708183 IBBAVQACGSIIKI-CYBMUJFWSA-N 276.767 3.623 30 20 CHED N#C[C@@]1(C(=O)Oc2cccc(Cl)c2F)CC12CCCC2 297595757 CNXWAMHMRVTKFB-OAHLLOKOSA-N 293.725 3.859 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 294566193 BRVKMSYDYMJGKI-KGLIPLIRSA-N 288.391 3.649 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)C(C)(F)F 294770112 ZCHXFVIBZJAAHJ-JTQLQIEISA-N 296.317 3.575 30 20 CHED C#C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C 809685325 NLCOBVQGMHVGQA-MRXNPFEDSA-N 298.342 3.602 30 20 CHED C[C@H](O)C[C@@H](CNc1ccc(F)cc1C#N)c1ccccc1 290820876 SOZMGDGXHKGVLF-BBRMVZONSA-N 298.361 3.664 30 20 CHED C=CCCCCNC(=O)Nc1ccc(Cl)cc1F 473494412 HUKKUNAAVCZPAZ-UHFFFAOYSA-N 270.735 3.957 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)Cc1cncc2ccccc12 805679969 HBDYNWGFGAMKLZ-NSHDSACASA-N 289.762 3.709 30 20 CHED CCCCCCCCCCC(=O)N1CCn2nccc21 803660384 KCWLMCHXVJHVTN-UHFFFAOYSA-N 277.412 3.761 30 20 CHED C/C=C(/C=C\C(=O)Nc1cc(C#N)ccc1NC1CC1)CC 803315035 MYLWWIKGDABFHJ-CHGTVWPVSA-N 295.386 3.984 30 20 CHED N#CCCCOC(=O)CCSc1cccc(Cl)c1 808700016 HNMUQORAYXYTIE-UHFFFAOYSA-N 283.780 3.669 30 20 CHED C=C(CNC(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1 805251422 XFQZVBMGNUSBRP-CSKARUKUSA-N 298.773 3.578 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(C)c(C)cc1Cl 296256927 WKOGCCJFEKAVBZ-LBPRGKRZSA-N 281.783 3.877 30 20 CHED C=CC[C@@H]1N(C(=O)C2Cc3ccccc3C2)CCCC1(C)C 470299689 VUVJRDIUNXQNCI-SFHVURJKSA-N 297.442 3.995 30 20 CHED C=CCOCCCS[C@H](C)c1cccc([N+](=O)[O-])c1 479599189 NRFQBDBWBPLQCM-GFCCVEGCSA-N 281.377 3.982 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1[C@H]1CC[C@H](C#N)C1 292756848 IMEOSPGWIHBBKR-YQFWSFKMSA-N 254.377 3.557 30 20 CHED C=CCCc1ccccc1NCc1cnc([C@@H](C)O)s1 809661615 KACISAHUYHMPHE-GFCCVEGCSA-N 288.416 3.927 30 20 CHED C=CCNC(=O)[C@H](C)Nc1cc(-c2ccc(C)o2)ccc1C 479828177 GSVPLCRIJWDONM-AWEZNQCLSA-N 298.386 3.666 30 20 CHED C=CC[C@@H](CC)NC(=O)NC12CC(c3ccccc3)(C1)C2 641827846 RPRZXJQKMJLCOB-FAEJEUNOSA-N 284.403 3.515 30 20 CHED C[C@@H]1SCCC1=NNc1ccc(OC(F)F)cc1 814828744 QBMZPXNGSDXLSL-QMMMGPOBSA-N 272.320 3.581 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CCCC2(C)C)s1 483978852 RPCIMEVVAIHIIE-LBPRGKRZSA-N 276.405 3.947 30 20 CHED CC(CCCCCCC(=O)O)=NN[C@H](C)c1ccncc1 819819203 UANOPJOSNSIGJP-CQSZACIVSA-N 291.395 3.533 30 20 CHED N#CCCC1CCN(CCCc2ccc3c(c2)CCO3)CC1 568513122 CSVZBUKMUYIYGL-UHFFFAOYSA-N 298.430 3.570 30 20 CHED CC1(C)OCCC1=NNc1ccc(C#N)c(C(F)(F)F)c1 814828533 HWBLNLDMJWZMKE-UHFFFAOYSA-N 297.280 3.544 30 20 CHED CC(=NOCCC1CC1)c1cc(Cl)ccc1O 814247172 URAUVCTZTUHPLU-UHFFFAOYSA-N 253.729 3.586 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1CC 486770678 JGPNQVHZBUTTRQ-AWEZNQCLSA-N 258.365 3.821 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNC[C@H]1CCSC1 811661120 ZHMOADGHLQWNOJ-YNEHKIRRSA-N 254.443 3.531 30 20 CHED COc1ccc(NN=C2CS[C@@H](C(C)C)C2)cc1 814885330 WITUMQHIWZOJCK-CQSZACIVSA-N 264.394 3.625 30 20 CHED Cc1ccnc(NN=C2CCCc3sccc32)c1 814868039 UOUBNUMOWCONQE-UHFFFAOYSA-N 257.362 3.604 30 20 CHED CC[C@H](OC(=O)CCCC#N)c1cc(C)ccc1OC 813082721 XKLZDSRKVOTPFS-AWEZNQCLSA-N 275.348 3.692 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCCc1nccs1 657919475 MPIGSLHXJBDESQ-KBPBESRZSA-N 264.438 3.800 30 20 CHED N#CCC1(OC(=O)/C=C\c2ccc3[nH]ccc3c2)CCC1 810859245 FUHKDSCYQFEBPR-HYXAFXHYSA-N 280.327 3.561 30 20 CHED CO[C@@](C)(C=NN[C@H](Cc1ccccc1)C(C)C)C1CC1 814906655 CXIJSKDMPZTAPV-MSOLQXFVSA-N 288.435 3.644 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCC(C)(C)C2)cc1 579641875 HXSAGTMCYDXAKJ-HZPDHXFCSA-N 284.403 3.756 30 20 CHED Cc1cccc(F)c1NN=Cc1cccnc1Cl 814907649 SIFVVMRDMCSIDX-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCC1(NCc2ccc(N3CCCC3)nc2)CCCC1 657702504 LAGBGAJKLPMMRE-UHFFFAOYSA-N 285.435 3.660 30 20 CHED N#CCc1ccccc1NC(=O)c1cnc2ccsc2c1 578915254 LVEIZWGRKGHUQU-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc2[nH]ccc2cc1C 816332459 YGIMVLRXJACKEF-UHFFFAOYSA-N 264.275 3.626 30 20 CHED C#CCN(CC)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 810479758 SBGOZSLYWNSGPE-UHFFFAOYSA-N 277.795 3.733 30 20 CHED N#C[C@H](C(=O)C(F)=C1CCCC1)c1nc2ccccc2o1 815915112 DFZDNVNFNAUGRP-LLVKDONJSA-N 284.290 3.802 30 20 CHED CC(Cc1ccc(F)cc1Cl)=NOCC(F)(F)F 817325877 OBKMDDQWZDVPBI-UHFFFAOYSA-N 283.652 3.976 30 20 CHED CCCCCCCCCNC(=O)c1nc(C)oc1C 814278290 MOHOUPDDAIKYMQ-UHFFFAOYSA-N 266.385 3.772 30 20 CHED C#C[C@@H](NC(=O)[C@](C)(C=C)CC)c1ccc(Cl)cc1 811948891 LBTYEIJPJNOKQF-GDBMZVCRSA-N 275.779 3.733 30 20 CHED Fc1cccc2c1SCCC2=NOC/C=C\Cl 811668350 FDSSVTYMBFDGKQ-FCXOSRFTSA-N 271.744 3.795 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 653094294 ZYDRZHKKMVBJFK-GHMZBOCLSA-N 292.345 3.571 30 20 CHED N#CCc1ccc(NCc2scnc2C2CC2)cc1 486962685 DNQIDZBKIUOFAX-UHFFFAOYSA-N 269.373 3.699 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)c2ccc(CC)cc2)c1 728481446 GLGQUFZBKNXPAY-HNNXBMFYSA-N 291.394 3.997 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cccc(-c2cccs2)c1 491671432 WTVBZKDLPMDPJB-LBPRGKRZSA-N 284.384 3.901 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCCC1(C)C 573251404 LKWXVYKYCDIKNZ-UHFFFAOYSA-N 282.391 3.510 30 20 CHED CCCC(=NNc1ncnc2[nH]cnc12)C1CCCCC1 727778390 GHOWXCGDEDGYMM-UHFFFAOYSA-N 286.383 3.501 30 20 CHED Cc1c(NN=Cc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] 727972990 OCDKPZUAHABWIP-UHFFFAOYSA-N 294.314 3.831 30 20 CHED Cc1cc(CN[C@@H]2CCc3c(C)cccc32)ccc1C#N 572685636 NGKMERHLTXKASX-LJQANCHMSA-N 276.383 3.952 30 20 CHED C#CC1CCN(C(=O)N[C@@H](CCC)c2ccccc2)CC1 825589991 IGZIGOGXHYTDOB-KRWDZBQOSA-N 284.403 3.583 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C(=O)C#Cc1cccs1 825872904 DNBDTCKGHVLIJB-GOSISDBHSA-N 297.423 3.955 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](c1ccccc1C)C1CC1 491114139 OOCLFLMAOLLYOQ-QGZVFWFLSA-N 284.403 3.830 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCCC1CC1 589782602 DWWWGLFIBNXQGN-UHFFFAOYSA-N 250.386 3.545 30 20 CHED C=CCC1(NCc2noc(-c3ccccc3)n2)CCCC1 661847676 CPHIGOHDMFHRML-UHFFFAOYSA-N 283.375 3.715 30 20 CHED C=CCCCC[C@H](C)NCc1ccc([C@H](C)O)cc1 823702041 KIIJFZWQPUUWFZ-GJZGRUSLSA-N 261.409 3.964 30 20 CHED N#CC1(N(C(=O)C[C@H]2CCc3ccccc32)C2CC2)CCC1 585747836 HGZCOCAYQVPJBZ-OAHLLOKOSA-N 294.398 3.544 30 20 CHED CC[C@@H](NCCc1cccnc1C)c1ccc(C#N)cc1 903416229 SNRSMHIPRLMBAX-GOSISDBHSA-N 279.387 3.545 30 20 CHED C=CCC[C@H](NCc1nc(C)c(C)[nH]1)c1ccccc1 581836047 RPTGMJXUYZXVKQ-INIZCTEOSA-N 269.392 3.824 30 20 CHED C=CCC1(CNC2C[C@@H]3CC[C@H](C2)N3C2CC2)CCCC1 903185934 HYEHEDKLOYYSGZ-ZNXRZULTSA-N 288.479 3.870 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccc(C#N)cc1)CC2 730947865 MTYRRRVLMBGPER-UHFFFAOYSA-N 261.328 3.629 30 20 CHED CC[C@H]1CCCC[C@H]1NCCCC1(C#N)CCOCC1 499638972 ZIMOHHDISXSOBD-JKSUJKDBSA-N 278.440 3.645 30 20 CHED N#Cc1ccc(CN2CCCCc3ccccc32)s1 589177526 BVHHQLZQKATVRY-UHFFFAOYSA-N 268.385 3.963 30 20 CHED Cc1cc(/C=C2\CCc3nc(O)ccc3C2=O)ccc1Cl 588410392 QVXAUQUHVVJKEM-FMIVXFBMSA-N 299.757 3.962 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1ccc(CC)s1 494669287 BLTJKWWVVUMIBT-LBPRGKRZSA-N 278.421 3.561 30 20 CHED C=CCN(CC=C)C(=S)Nc1ccc(C)c(F)c1 730591208 RALCPLNURJPMSP-UHFFFAOYSA-N 264.369 3.505 30 20 CHED COc1ccccc1CON=C(C)c1ccccc1 835203757 PFZHAOFLTMBVNI-UHFFFAOYSA-N 255.317 3.636 30 20 CHED C[C@H](Nc1cnn(C2CCC2)c1)c1ccc(C#N)cc1 901667194 MERHGRIHXXMKMP-LBPRGKRZSA-N 266.348 3.653 30 20 CHED CCN(CC)c1ccc(/C=C2\C(=O)c3nccn3[C@H]2C)cc1 901560003 DATALLOBNYSTRJ-WIOAZZGGSA-N 295.386 3.570 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(C)CC(C)(C)C#N 497275265 JFKABJNNFRCBEL-OAHLLOKOSA-N 278.440 3.991 30 20 CHED CC(C)(C)C[C@H](NC(=O)CCCCCC#N)C(F)(F)F 588163391 ZXKBVNRPAZRHMR-NSHDSACASA-N 292.345 3.944 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 837675037 AONCTHDTAMPFRZ-OAHLLOKOSA-N 291.341 3.508 30 20 CHED CC(C)n1cncc1/C=C1/Cc2ccc(Cl)cc2C1=O 901491754 VODMGKMFWFHPCA-SDQBBNPISA-N 286.762 3.940 30 20 CHED C=CCC1(NCCOCc2ccc(OC)cc2)CCCC1 661849778 ZXSNGTHXWFCVHN-UHFFFAOYSA-N 289.419 3.690 30 20 CHED CC(C)[C@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 837323633 QDKRLRMLEWGEJN-INIZCTEOSA-N 275.779 3.567 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 588165688 CWJIAPORPBJIBL-MRXNPFEDSA-N 288.366 3.793 30 20 CHED Cc1ccc2[nH]cc(C=NNc3ccc(C#N)cc3)c2c1 735612186 GCFHCYQFZREYNH-UHFFFAOYSA-N 274.327 3.794 30 20 CHED C=CCCC[C@H](N)c1nc(C2CCCCCC2)no1 900004946 UINOGLKTCGHWIM-ZDUSSCGKSA-N 263.385 3.864 30 20 CHED C=CCCC[C@H](NCc1ccc(C)c(Cl)c1)C(=O)O 900068145 ABYMFPHRALBYNG-AWEZNQCLSA-N 281.783 3.548 30 20 CHED CC(=O)CCCCCCC(=O)Nc1cccc(CC#N)c1 837073407 UJVIYMNJBHWVFX-UHFFFAOYSA-N 286.375 3.621 30 20 CHED CCc1ccc2ccccc2c1CNC(=O)[C@H](C#N)CC 831124540 LJJWAKCJJQFTIA-AWEZNQCLSA-N 280.371 3.568 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3ccccn3)C2)CCCC1 831195935 PBKMCNBVYJEQCL-OAHLLOKOSA-N 284.403 3.534 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cc(C)ccc1OC)C(C)C 838748898 ZZEBUMMAHQMYDD-CQSZACIVSA-N 290.407 3.671 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(-c2nccs2)cc1)C(C)C 836223526 CBRGZUJXPCEITG-CQSZACIVSA-N 299.399 3.589 30 20 CHED CCCCC(COC)=NNc1ccc(Cl)cc1[N+](=O)[O-] 737430019 IMVWIOJGCXTFOP-UHFFFAOYSA-N 299.758 3.853 30 20 CHED CC[C@H](C)C(C)=NNc1ccc(Cl)c(C(=O)O)c1 916259268 ABSUQWSLDYGXLJ-QMMMGPOBSA-N 268.744 3.872 30 20 CHED CC1(C)CN(C(=O)CC2(C#N)CCCCC2)[C@H]2CCC[C@@H]21 597699731 POCXZKRJYXJYDU-GJZGRUSLSA-N 288.435 3.888 30 20 CHED CC(C)CCc1nc(CN2CCC[C@@H](CC#N)C2)cs1 595613358 BVYPEICBPGBRSA-AWEZNQCLSA-N 291.464 3.857 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(C#N)s2)cc1C 749322600 HDVYXFOEAHYULL-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839058821 YCTMFNHWFUBILY-IMJJTQAJSA-N 293.407 3.740 30 20 CHED CCCCCCCC(=O)OCc1nccn1C(F)F 917944400 ACAQFDMMQHGRSO-UHFFFAOYSA-N 274.311 3.682 30 20 CHED C=C(CC)CN1CCC(c2nc(-c3ccccc3)no2)CC1 678623965 PTMODPPNHLINOH-UHFFFAOYSA-N 297.402 3.882 30 20 CHED C=CCOc1ccc(C(=O)Oc2ccccc2F)cc1 913962099 CICRXMOQFTXGML-UHFFFAOYSA-N 272.275 3.610 30 20 CHED Cc1c(NC(=O)CCCC#N)ccc(Br)c1F 597941952 TTXGIZKGWFHNCF-UHFFFAOYSA-N 299.143 3.529 30 20 CHED CO[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)CC(C)C 591348210 KJTOXGMCCAQGAY-AEFFLSMTSA-N 286.419 3.586 30 20 CHED C=CCCC(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 591275339 PUOABKVWVDILKN-INIZCTEOSA-N 275.367 3.716 30 20 CHED CCCCCCCCCN/C(=N/C)NCc1ccco1 849024427 OQXCEMSVUSQXDL-UHFFFAOYSA-N 279.428 3.695 30 20 CHED Cc1cc(C)nc(NN=Cc2cccc(Cl)c2Cl)n1 916242069 ZRORCYBZSZKSTG-UHFFFAOYSA-N 295.173 3.846 30 20 CHED C=C(C)[C@H](CC(=O)OC1(C2CCCC2)CC1)OCC 848017852 JQKOFBMHWPYHSM-AWEZNQCLSA-N 266.381 3.624 30 20 CHED COc1cccc(-c2cccc(C3(C#N)CC3)c2)c1OC 592985027 HNWBFBZIFQDLBB-UHFFFAOYSA-N 279.339 3.926 30 20 CHED C=CCN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1 161742606 JKHZLLZKVTZPEB-UHFFFAOYSA-N 275.348 3.812 30 20 CHED CC1(C)CC(C(=O)NCC2(C#N)CCC2)CC(C)(C)C1 597784251 CLKYRCCQNICUNN-UHFFFAOYSA-N 276.424 3.649 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 593445286 FXKXCDUVNPYJER-LLVKDONJSA-N 285.372 3.607 30 20 CHED Fc1cccc(CON=Cc2ccccc2OC(F)F)c1 849613487 GXASABCATNKUTL-UHFFFAOYSA-N 295.260 3.978 30 20 CHED COc1ccsc1[C@H](C)NCCc1ccc(C#N)cc1 595055229 BNGWNSBOMRVVGY-LBPRGKRZSA-N 286.400 3.522 30 20 CHED CCOc1ccccc1C(C)=NNc1ccccc1 916247191 HIUDMLIYHQOTMY-UHFFFAOYSA-N 254.333 3.921 30 20 CHED Cc1c(C(=O)N(CCC#N)CC(C)C)oc2ccccc12 917363756 ARBFOHAADATVJM-UHFFFAOYSA-N 284.359 3.753 30 20 CHED C=CCCC(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 747700968 XALQNLKGFLKASE-JTQLQIEISA-N 251.326 3.543 30 20 CHED CCCCCCCCNC(=N)NC[C@@H](C)C1CC1 849064330 PIRYJLIRTAQKLH-CYBMUJFWSA-N 253.434 3.507 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc(Cl)c(F)c2)c1 742381736 GRKVVIPDNONJOE-UHFFFAOYSA-N 292.716 3.780 30 20 CHED CCN(C(=O)[C@@H](C)Sc1ccccc1Cl)[C@@H](C)C#N 598354473 XYIHOEUAELPWHO-WDEREUQCSA-N 296.823 3.581 30 20 CHED CCCCc1noc([C@H](C)SCC2(CC#N)CC2)n1 596343872 XNMUSYZWEFFGQY-NSHDSACASA-N 279.409 3.900 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C=C(\C)c1cccc(Cl)c1 847167640 JOAXCPPTXSCLKM-BMGYJQCNSA-N 276.767 3.504 30 20 CHED C=CC[C@H]1CCCN(C(=S)Nc2ccsc2)C1 849279592 AVUPFKAOUPXGIW-NSHDSACASA-N 266.435 3.733 30 20 CHED CC(C)(C#N)CCCn1c(=O)c(Cl)cc2ccccc21 596294022 GYJARYLIQDQEBY-UHFFFAOYSA-N 288.778 3.985 30 20 CHED C=CCC1(NCc2ccc(C#N)cc2OC)CCCC1 595780271 OGDYRDUWIIFCCV-UHFFFAOYSA-N 270.376 3.545 30 20 CHED CCCC[C@@H](C(=O)N(CCC#N)C(C)C)C(C)C 598895932 AZXMHJJFDBTMAX-CQSZACIVSA-N 252.402 3.599 30 20 CHED CCOc1cccc(C=Nc2cc(F)c(F)c(F)c2)c1O 741165020 DJNYAZGWIMRBCX-UHFFFAOYSA-N 295.260 3.959 30 20 CHED CC[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)C1CCCCC1 595484690 NANMBRKYRIKLCZ-GOEBONIOSA-N 291.439 3.681 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593986407 ZTINVCDVDZFPMQ-KKUMJFAQSA-N 286.419 3.678 30 20 CHED O=C1/C(=C\c2nccc3ccccc23)COc2ccccc21 740763967 JZIWYLZVNMKXIE-KAMYIIQDSA-N 287.318 3.894 30 20 CHED CC(C)Cn1nccc1/C=C1/CCc2ccc(F)cc2C1=O 843270340 ZBXUTVAEZUBPNU-ZROIWOOFSA-N 298.361 3.891 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CCCNCC1 846669368 ROLBAPNDKSSCDP-INIZCTEOSA-N 282.472 3.585 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccccc1C1CC1 684767834 UCDCUXKTNWMKQH-FUHWJXTLSA-N 271.404 3.635 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1ccccc1Cl 920401191 ZZUUSYULRHFEQW-UHFFFAOYSA-N 291.782 3.746 30 20 CHED CCO[C@@H](CC/N=C\c1cc(Cl)ccc1O)C(C)C 746394812 RYNYSUPKQVIELO-HAKPAVFJSA-N 283.799 3.916 30 20 CHED Cc1cccc(CNCC2(CC#N)CC2)c1Br 922084922 ORRUQATVGNODRA-UHFFFAOYSA-N 293.208 3.541 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2c(C)cc(C)nc2s1 684938751 HJECDXQQKBPRDO-GFCCVEGCSA-N 288.416 3.998 30 20 CHED CC(C)=C(C)C(=O)OCc1ccc(C#N)cc1OC(F)F 752552653 HAKAEOUVAVHRFL-UHFFFAOYSA-N 295.285 3.559 30 20 CHED Cc1cccc2c1[C@@H](NCC(C)(C)CCC#N)CC2 926426472 FYONAVOMFWXQFN-HNNXBMFYSA-N 256.393 3.902 30 20 CHED Cc1sc(NC(=O)/C=C2\CC[C@H](C)C2)c(C#N)c1C 753623556 PURBCOCTSGDJIG-SZUMLMDFSA-N 274.389 3.922 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1)c1ccc(O)cc1O 755599360 QPBDDRPBGJUJDX-KXFIGUGUSA-N 292.693 3.786 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@]2(C)c2ccccc2)c1 680375521 OUXAALQBXYRHQP-RTBURBONSA-N 290.366 3.903 30 20 CHED Cc1cc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c(C)s1 750783280 FZIUAPBZVPWEMS-OAHLLOKOSA-N 299.395 3.904 30 20 CHED C#CC[C@H](NC(=O)N[C@H](CC)CCC)c1ccccc1 757017469 JPVJEVOMPLNAIZ-CVEARBPZSA-N 272.392 3.629 30 20 CHED COc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1OC 921264153 PFYFSYUUMXIFCS-OQLLNIDSSA-N 294.350 3.835 30 20 CHED C#CCC(C)(C)c1nc(Cc2ccc(F)c(Cl)c2)no1 858813922 DXRHAMDJKKHHFD-UHFFFAOYSA-N 292.741 3.754 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C(/C)c1ccco1 857607791 RTLPATLBDUEZRK-SEYXRHQNSA-N 274.364 3.614 30 20 CHED Cc1ccc(F)c(NN=Cc2cnc3ccc(C)cn23)c1 755772824 LRJYEAHUBCTBKK-UHFFFAOYSA-N 282.322 3.536 30 20 CHED C=CC[C@H](NC(=O)/C=C1/CC[C@H](C)C1)c1ccncc1 753616793 IOJDODLEEWNLSH-DUNLTMODSA-N 270.376 3.561 30 20 CHED C#CC[C@H](NCc1cnn(CC2CCC2)c1)c1ccccc1 921933875 AWVLQEVYJZZUFQ-IBGZPJMESA-N 293.414 3.537 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2cc(C#N)ccc2F)C1 854894660 UQJMJHYKRWOHDG-ZDUSSCGKSA-N 288.366 3.596 30 20 CHED C=CC(C)(C)CCOC(=O)[C@H]1CCO[C@H](CCC)C1 851299539 PVRLDCJYPFJYDN-UONOGXRCSA-N 268.397 3.727 30 20 CHED C=C[C@H](CC)CC(=O)Nc1sc(CC)nc1C 935481465 QEFDZIPAPJOMBD-SNVBAGLBSA-N 252.383 3.555 30 20 CHED COc1cccc2c1C/C(=C/c1sccc1C)C2=O 759662982 APGBNUYPTYSRRZ-LUAWRHEFSA-N 270.353 3.888 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(COC)cc2)c1 766522621 OANAHEIIYBOKIU-UHFFFAOYSA-N 296.395 3.623 30 20 CHED Fc1cccc(Cl)c1NN=C1CCSCC1 769827875 AGJJTPJLIDDFSC-UHFFFAOYSA-N 258.749 3.774 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(C)c([N+](=O)[O-])c1 766772530 SYKYGTKFDQOAJA-VOTSOKGWSA-N 296.326 3.757 30 20 CHED C#C[C@H](OC(=O)CCCOC(C)(C)C)c1ccc(C)cc1 860963077 OQMLYEVCRGMJNN-INIZCTEOSA-N 288.387 3.808 30 20 CHED Clc1nccnc1NN=C1C[C@H]2CCCc3cccc1c32 763364697 UPIHHBKNOBMOTD-LLVKDONJSA-N 298.777 3.770 30 20 CHED Cc1ccc(-c2ccc3c(c2)OCCC[C@@H]3O)cc1C#N 863729990 UJYLEDYIAZZDOI-KRWDZBQOSA-N 279.339 3.740 30 20 CHED C[C@@H](Cc1ccccc1Cl)NCCCCC#N 1116289072 NAGRXVPVWVRHRL-LBPRGKRZSA-N 250.773 3.554 30 20 CHED C#CCOc1ccccc1NC(=O)N(C)c1ccc(C)cc1 766240837 CWIOWSKEFYSPFU-UHFFFAOYSA-N 294.354 3.675 30 20 CHED COc1ccsc1C(C)=NNc1cccc([N+](=O)[O-])c1 769761930 CLGKAADPOMICPH-UHFFFAOYSA-N 291.332 3.501 30 20 CHED C#CCC(C)(C)COC(=O)c1c(-c2ccccc2)noc1C 760272157 OEGVTLRQZUEZET-UHFFFAOYSA-N 297.354 3.856 30 20 CHED O=C1/C(=C\c2cncs2)CCCc2ccccc21 767716031 HQWYRCUCMRQYEL-WQLSENKSSA-N 255.342 3.746 30 20 CHED CCC[C@H](C)C(=O)N(c1ccccc1C#N)C1CCC1 1119487501 IAUGSZGCRNKXFG-ZDUSSCGKSA-N 270.376 3.880 30 20 CHED Cc1cc([C@H](C)Nc2cccc(CC#N)n2)c(C)o1 1116290965 ZMJCHMAROBCECA-NSHDSACASA-N 255.321 3.531 30 20 CHED CCCCCCCCNC(=O)c1cc(O)nc(C2CC2)c1 771439026 ZVAOGRFEXYTGPC-UHFFFAOYSA-N 290.407 3.755 30 20 CHED COc1ccc(/C=C\C(=O)O[C@@H](C#N)C2CCCCC2)cc1 776360711 DJRQVHDNRZUJCW-GKUQOKNUSA-N 299.370 3.724 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(-c2c(F)cccc2F)o1 775183149 JHHAJKXZZKQUPR-LLVKDONJSA-N 275.298 3.678 30 20 CHED CCOC(=O)Nc1ccc(NC[C@H](C)CCC#N)cc1 876836058 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30 20 CHED C=CCN(C(=O)[C@H](C)c1cn(C)c2ccccc12)C(C)C 771934949 XVHMUWLDFYZITH-CQSZACIVSA-N 284.403 3.705 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1CCCc2ccccc21 776374005 ZHNVLWHXPPHDNM-HNNXBMFYSA-N 271.360 3.590 30 20 CHED C=CCN(C)C(=S)Nc1ccc2ccccc2c1 777470434 CQIREHCYIFLDJN-UHFFFAOYSA-N 256.374 3.654 30 20 CHED Cc1ccc(CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)o1 775234985 RCIVEIKSPGJBKU-HNNXBMFYSA-N 290.322 3.555 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3sccc3C)n2c1 771861103 UYETUNUGWVSWFO-SNAWJCMRSA-N 282.368 3.909 30 20 CHED C=C(CC)C(=O)Nc1cc(Br)ccc1OCC 1123646447 XOVQBDQNKPRUPL-UHFFFAOYSA-N 298.180 3.753 30 20 CHED Cc1cccc(-c2n[nH]cc2/C=C\C(=O)c2cncs2)c1 787169070 LNPGHZNUVYHXEB-WAYWQWQTSA-N 295.367 3.738 30 20 CHED COc1ccc(C(C)=NN[C@H]2CCCC2(C)C)cc1OC 782303552 XJZBWGCGMZLXFV-INIZCTEOSA-N 290.407 3.596 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)C1CCSCC1 782288398 QXVMLHPCRYEQQI-ZDUSSCGKSA-N 254.443 3.674 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\C[C@H]1CCC=CO1 780149902 POFVEEZIVLHESH-CRZGJZTJSA-N 286.158 3.811 30 20 CHED CCc1ccsc1C(=O)O[C@@H](CC#N)c1ccco1 1123369453 NPIUSWIHZJIGIH-LBPRGKRZSA-N 275.329 3.715 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H]1CCCC(C)(C)C1 1129632878 DZGOIGRWXJICRZ-AWEZNQCLSA-N 271.360 3.992 30 20 CHED C=CC[C@@H](N[C@H](C)c1ccccc1O)c1ccncc1 783512384 BMVVEPVNSAZSGV-CZUORRHYSA-N 268.360 3.755 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccc(Cl)cc1 782197651 VNRVONMABOLPNM-HNNXBMFYSA-N 282.767 3.612 30 20 CHED C=CC1(OC(=O)CCc2ncc(-c3ccccc3)o2)CC1 893364971 IGAHOQJCFPDNOG-UHFFFAOYSA-N 283.327 3.536 30 20 CHED COc1ccccc1CON=CC1=Cc2ccccc2OC1 799116949 FJSBQMRTRLEZNU-UHFFFAOYSA-N 295.338 3.674 30 20 CHED Cc1ncoc1-c1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 896702801 QHCMMFDJOTWDLM-DOMZBBRYSA-N 267.332 3.754 30 20 CHED C=C1CCC(C(=O)Nc2ncc(-c3ccccc3)cn2)CC1 890354774 FZAUSBVORZKRLN-UHFFFAOYSA-N 293.370 3.829 30 20 CHED O=C(/C=C/c1ccsc1Cl)c1ccnc(F)c1 794719211 NMZUHICTJTWZHP-OWOJBTEDSA-N 267.712 3.832 30 20 CHED COc1ccccc1CON=C1CCc2ccccc21 799118868 YLUYGGNMNSPJAG-UHFFFAOYSA-N 267.328 3.562 30 20 CHED C=CCOc1ccc(C(=O)OCCCCCF)cc1 791682628 VXVTZJQANMZJTA-UHFFFAOYSA-N 266.312 3.548 30 20 CHED CC(=NNc1ncccc1F)c1ccc2c(c1)CCC2 794984110 HTRAYFJYUHUBHA-UHFFFAOYSA-N 269.323 3.546 30 20 CHED Oc1cccc(Cl)c1C=NNc1cccc(Cl)n1 793174880 NNNUCAIPYSZQBF-UHFFFAOYSA-N 282.130 3.540 30 20 CHED Cc1cc(CNC(C2CCC2)C2CCC2)ccc1C#N 513036018 KETZRCSAUVISDJ-UHFFFAOYSA-N 268.404 3.925 30 20 CHED C=CCC1(C(=O)OCc2cn3ccccc3c2C#N)CCC1 791560625 KTBYYGBGSLILTI-UHFFFAOYSA-N 294.354 3.601 30 20 CHED C[C@H]1CC(=NNc2cccc(Cl)n2)CC[C@H]1C 793176185 ZMPYWYDUKCTQKB-ZJUUUORDSA-N 251.761 3.959 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccsc1Cl 790136206 DHOWORDCHWAQQF-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C=CC1CCN(c2nc3ccccc3cc2C#N)CC1 706632171 FUGHSDUCCWDVHS-UHFFFAOYSA-N 263.344 3.509 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 593398089 DMDYPJYWHMCXGR-VXGBXAGGSA-N 270.332 3.502 30 20 CHED CCCCCCCNCc1ccc(N(C)CC)nc1 790947550 QEMCBJWTXAQGKO-UHFFFAOYSA-N 263.429 3.598 30 20 CHED CCCCN(Cc1ccc(C#N)cn1)C1CCCCC1 565163484 KOEMSLDJUVQDGB-UHFFFAOYSA-N 271.408 3.888 30 20 CHED Cc1cc(C)nc(COc2ccc(C#N)cc2Cl)c1 723627767 UCMNMHGSVCZINW-UHFFFAOYSA-N 272.735 3.803 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 695711908 DDJYJUDYVOTTDO-OUJBWJOFSA-N 274.751 3.586 30 20 CHED C=C(CC)CN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 773452637 HBSHGFQCMYIONR-IAGOWNOFSA-N 277.383 3.680 30 20 CHED Cc1cc(CN(C)[C@@H]2CCC(C)(C)C2)ccc1C#N 1462182664 ZCCVGVXILAUZIK-MRXNPFEDSA-N 256.393 3.877 30 20 CHED C=CC(C)(C)c1nnc(COc2ccc(C)c(C)c2)o1 1326960654 SHECWVUAOKIAGF-UHFFFAOYSA-N 272.348 3.729 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc3c(c2)CCC3)cc1 1329666071 LJVAEQLDFFLBFN-YRNVUSSQSA-N 273.335 3.943 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccccc1C1CC1 1328902817 FJMAJQMJHDWXQB-UHFFFAOYSA-N 271.360 3.937 30 20 CHED CC1(C)CN(C(=O)C2(C#N)CCC2)c2cccc(Cl)c21 1252589639 NOPFPBBZTFWJHJ-UHFFFAOYSA-N 288.778 3.658 30 20 CHED CCOc1ccc(N(C)C(=O)[C@]2(C#N)CC23CCCC3)cc1 1332957476 BQUGXRFVJCLNQC-GOSISDBHSA-N 298.386 3.522 30 20 CHED C[C@@H](Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 1341531244 JIVWMIRILONTQQ-ZDUSSCGKSA-N 289.338 3.954 30 20 CHED C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 1335942500 ZYEYAXXNHJBEOH-MWDXBVQZSA-N 293.451 3.521 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1C[C@@H](C)C[C@@H]1C 1343680266 VHTBAWNAWOWJCO-KBPBESRZSA-N 286.423 3.523 30 20 CHED C[C@H](CC(=O)O[C@H](CC#N)c1ccco1)c1ccccc1 1347949452 WPUKNPKCBUIFKB-CZUORRHYSA-N 283.327 3.971 30 20 CHED Cc1ccc(CCNC(=O)Nc2cccc(C#N)c2)cc1C 1197550362 SJLYTOYLBSBWOK-UHFFFAOYSA-N 293.370 3.539 30 20 CHED N#CC1(COC(=O)C2(C(F)(F)F)CCCCC2)CCC1 1346778526 JNUOPKUPCBHNKZ-UHFFFAOYSA-N 289.297 3.736 30 20 CHED Cc1ocnc1C(=O)O[C@H](C)CCCC#C[Si](C)(C)C 1344234153 IJJKSNYGPAJAPG-GFCCVEGCSA-N 293.439 3.579 30 20 CHED C=C[C@@H](C(=O)N1CC[C@H](c2ccco2)C1)c1ccccc1 1351188773 VGXLVTCHAAWJSF-JKSUJKDBSA-N 281.355 3.565 30 20 CHED CCOc1cccc(NC(=O)c2cc(C#N)ccc2C)c1 1516993033 PAWGOIFYQKFDSI-UHFFFAOYSA-N 280.327 3.518 30 20 CHED Cc1ccc(C)c(/C=C/B2OC(C)(C)C(C)(C)O2)c1 307301137 JWCWARPYVKGUAY-MDZDMXLPSA-N 258.170 3.948 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccnc(C2CC2)c1 1528631376 BQFGTLIERSYTHO-UHFFFAOYSA-N 297.745 3.736 30 20 CHED Cc1csc(NC(=O)c2ccsc2Cl)c1C#N 1525497383 CUKZFWSXFIOLPU-UHFFFAOYSA-N 282.777 3.895 30 20 CHED CC1(C)C(CNC(=O)c2ccc(C#N)c(Cl)c2)C1(C)C 1530406811 ASHJIARCRHQIKZ-UHFFFAOYSA-N 290.794 3.624 30 20 CHED C=C(CNC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1466577281 FSMLSKLYYKOZDS-UHFFFAOYSA-N 291.354 3.588 30 20 CHED N#Cc1ccc(F)cc1NCCCCC1(C(=O)O)CCC1 1601106616 WKVJJRJPJLSSQI-UHFFFAOYSA-N 290.338 3.534 30 20 CHED CN(c1ccc(C#N)cn1)[C@H]1CCC[C@H]1C(C)(C)C 1612504837 KSOBXKLSVQZRAU-KGLIPLIRSA-N 257.381 3.604 30 20 CHED CCOc1ccccc1OCc1cccc(C#N)c1 19804847 PJEXOQYIUUERNY-UHFFFAOYSA-N 253.301 3.536 30 20 CHED N#Cc1cnccc1Sc1nc2cc(F)ccc2s1 1612898625 AXNOBTFMVWUYFX-UHFFFAOYSA-N 287.344 3.853 30 20 CHED CC(C)(C)c1ccc(C#N)c(OC/C(Cl)=C/Cl)n1 1614548445 RZLRKKAAZGOOLA-POHAHGRESA-N 285.174 3.949 30 20 CHED C[C@@H]1C[C@H](Nc2cc(C#N)ncn2)C[C@@H](c2ccccc2)C1 1472804928 RCFUAZQFINPWCP-BPUTZDHNSA-N 292.386 3.733 30 20 CHED CCCCc1cc(NCC2CCC(C#N)CC2)ncn1 1612297902 PIYCUSXJHOLWPH-UHFFFAOYSA-N 272.396 3.561 30 20 CHED CC[C@H](Nc1cc(C#N)nc(C)n1)c1cc(C)ccc1C 1559257767 DXHSRFAGBTZZIZ-INIZCTEOSA-N 280.375 3.837 30 20 CHED C=C(Cl)CNC(=O)C(C)(C)c1cccc2ccccc12 1629552330 VCFMZOWRROKRKF-UHFFFAOYSA-N 287.790 3.986 30 20 CHED COC(=O)[C@@H](Sc1ccc(C#N)cc1Cl)C(C)(C)C 1559387149 OOHGBTGXTWYTRV-GFCCVEGCSA-N 297.807 3.891 30 20 CHED CCCCN(Cc1cccc(C#N)n1)Cc1ccccc1F 1560659445 IODKKTJNYDEYLG-UHFFFAOYSA-N 297.377 3.895 30 20 CHED C#CCCCCC(=O)N(C)Cc1ccc(C(C)C)cc1 119483281 XOTQGBUOJDHCAZ-UHFFFAOYSA-N 271.404 3.962 30 20 CHED Cc1cc(C#N)ccc1CN[C@H]1C[C@H](OC(C)C)C1(C)C 1645714213 WTEAWBHUCJPOHN-IRXDYDNUSA-N 286.419 3.548 30 20 CHED Cc1cc(OCc2cccnc2C(F)(F)F)ccc1C#N 1643894450 CQBCUWWJDSYUCJ-UHFFFAOYSA-N 292.260 3.860 30 20 CHED N#Cc1ccc(CCN2CCCc3c(F)cccc32)cc1 1644740989 CBDVAQUHARKOIW-UHFFFAOYSA-N 280.346 3.693 30 20 CHED C=CCC[C@@H](CCC)Nc1cc(F)cc(-c2nn[nH]n2)c1 1573333769 FAEWYGBIRFXRCM-CYBMUJFWSA-N 289.358 3.553 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1Cc1ccc(C#N)cc1OC 1652892736 DQGGNPMWRVBJTE-YOEHRIQHSA-N 286.419 3.967 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc3c2CCCC3)C1 1583566643 YOIYUXAHAVBFFC-HIFRSBDPSA-N 283.371 3.805 30 20 CHED C=C(CNC(=O)Nc1cc(C)cc(C#N)c1)c1ccccc1 1672285360 NDEMEAQJPRZYGG-UHFFFAOYSA-N 291.354 3.702 30 20 CHED COc1ccc(C#N)cc1CSc1ccccc1OC 129278265 JSEYTXJPLFOMRJ-UHFFFAOYSA-N 285.368 3.868 30 20 CHED O=C1/C(=C/c2ccc(O)cc2)CSc2c(F)cccc21 12858097 IPBXZOLWOOZDRO-DHZHZOJOSA-N 286.327 3.903 30 20 CHED C=CCCCOC(=O)c1nc(-c2ccccc2F)oc1C 150730877 KWZHQMLSEQDJDF-UHFFFAOYSA-N 289.306 3.912 30 20 CHED C=C(C)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 161283221 QKBLHIIMSSLTBV-UHFFFAOYSA-N 292.338 3.656 30 20 CHED C=CCN(C)C(=O)C1c2ccccc2Oc2ccccc21 161335931 VPSVJXXMZMLJJE-UHFFFAOYSA-N 279.339 3.569 30 20 CHED C=CCN(C)C(=O)CCCCc1nc2ccccc2s1 161665855 XJUHRLYJDNYGGY-UHFFFAOYSA-N 288.416 3.654 30 20 CHED N#C[C@H](NC(=O)C1(Cc2ccccc2)CC1)C1CCCCC1 162297318 NPTNWYKNIGLOMO-KRWDZBQOSA-N 296.414 3.598 30 20 CHED CC[C@@H](C)c1cc(C(=O)N(CCC#N)CCC(C)C)on1 163835933 LPCSWLNHHBKPMF-CYBMUJFWSA-N 291.395 3.590 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCc3c(C)cccc32)CC1 152952509 RQSMOGGZQPTHNN-LJQANCHMSA-N 284.447 3.612 30 20 CHED Cc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)oc1C 153745198 XDZAQPVFUKFFMX-OAHLLOKOSA-N 282.343 3.671 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2[C@@H]3[C@@H]2[C@@H]2CC[C@@H]3C2)cc1 155925142 PRAZZOQNFNMFGZ-MPTQWLOMSA-N 294.398 3.718 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)Nc1ccccc1C#N 156471671 WNNIJTMRKSBABW-MRXNPFEDSA-N 286.375 3.625 30 20 CHED Cc1cccc2c(CC(=O)O[C@@H](C#N)C(C)(C)C)c[nH]c12 154437077 SYXVIFAHHRGJKA-AWEZNQCLSA-N 284.359 3.500 30 20 CHED CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C#N)[nH]1 159039966 RCRJWPDPNPYPCB-UHFFFAOYSA-N 293.370 3.603 30 20 CHED CC[C@@H]1CC[C@@H](C)N1CCCOc1cccc(C#N)c1 124640122 XDAJGDYGDNASGI-GDBMZVCRSA-N 272.392 3.590 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(C(C)(C)C)cc1 42295898 CBHRTCKMTJZDSP-CYBMUJFWSA-N 272.392 3.606 30 20 CHED CCc1ccc([C@H](C)Nc2ccc(C#N)cn2)cc1 37979583 IRLDSZGZPLCHPL-LBPRGKRZSA-N 251.333 3.689 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(OCCC)cc1 163517875 GOBDZBSUAHXAOF-HNNXBMFYSA-N 277.408 3.719 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2ccccc2)cc1 43173677 LEZMVRWLKKSYQC-UHFFFAOYSA-N 268.316 3.786 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)cc2F)c1 48336946 GKWICPIQPCVKHF-UHFFFAOYSA-N 268.335 3.638 30 20 CHED COc1ccc(CN(C)c2ccc(Cl)cc2C#N)cc1 52859642 GLCLQVRFRHOSMK-UHFFFAOYSA-N 286.762 3.857 30 20 CHED CS[C@@H]1CC[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)C1 300413759 CSQQGZWCXKECSX-XNRPHZJLSA-N 290.432 3.524 30 20 CHED N#Cc1ccc(N[C@H]2CCc3ccc(F)cc32)c(F)c1 301213697 YPKNTGARNWFEOR-HNNXBMFYSA-N 270.282 3.936 30 20 CHED N#Cc1cc(Cl)cc(OCC=C(Cl)Cl)c1 403390761 RYPQXKUBYMMLRR-UHFFFAOYSA-N 262.523 3.909 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@H](C)CCC=C(C)C 521627470 ZPXYATOEAVUJOP-ZIAGYGMSSA-N 250.386 3.567 30 20 CHED CCC[C@@H](NCc1ccc(OC)c(C#N)c1)C1CCC1 324863534 AUUPOHYYRHDEJO-MRXNPFEDSA-N 272.392 3.625 30 20 CHED C=CC1CCN(Cc2cc(Br)cs2)CC1 539830413 UOBBEHWDXJJUQG-UHFFFAOYSA-N 286.238 3.909 30 20 CHED C=CCCCCCN1CCC[C@@H]1C1CCOCC1 488267316 VHEMAAXYUINCFL-MRXNPFEDSA-N 251.414 3.624 30 20 CHED C=CCCSCCN[C@H](CC)c1ccc(F)cn1 595058276 GEVNHLYVKPRVBN-CYBMUJFWSA-N 268.401 3.571 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cnn(-c2ccccc2)c1 393817246 YRTSLRCGQSPTRP-GOEBONIOSA-N 269.392 3.878 30 20 CHED C[C@@H](CC(C)(C)C)NCc1cccc(OCC#N)c1 395066241 WSIKKZFISCFPOK-ZDUSSCGKSA-N 260.381 3.503 30 20 CHED C=CCOC(=O)CSc1cc(Cl)ccc1Cl 916593438 LMLIJGYALQLGDO-UHFFFAOYSA-N 277.172 3.815 30 20 CHED COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC 7915508 KUWYKZJVXBPUPW-MDZDMXLPSA-N 282.339 3.908 30 20 CHED Cc1nnc(N[C@@H]2CCc3cc(Cl)ccc32)c(C#N)c1C 57147694 HMRSMWHMTPNQIE-OAHLLOKOSA-N 298.777 3.718 30 20 CHED N#Cc1c(Cl)nsc1NCCc1cccc(Cl)c1 51323812 FQIKSGIRGWFRGA-UHFFFAOYSA-N 298.198 3.976 30 20 CHED C#Cc1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1 29612160 FBLCALLUJFWPAF-UHFFFAOYSA-N 278.286 3.541 30 20 CHED CCCCCCCC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 119952881 MQQAMASHQCZTJZ-HOCLYGCPSA-N 299.480 3.518 30 20 CHED Cc1cccc(NC(=O)[C@H](C#N)C(=O)C2CCCCCC2)c1 102119357 BZNYYKOYMISDFO-MRXNPFEDSA-N 298.386 3.613 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)c1ccccc1CC 178228509 VSVFVWQFQAIYBL-UHFFFAOYSA-N 297.329 3.652 30 20 CHED CC[C@H](C#N)NC(=O)Cc1coc2ccc3ccccc3c12 102351503 DFUNNIPTYDFCPG-CQSZACIVSA-N 292.338 3.547 30 20 CHED CCCCCC[C@H](C)CC(=O)N(C)[C@@H](C)CC#N 103441188 ZLMCYNZHWXIONJ-KBPBESRZSA-N 252.402 3.744 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 177924786 KVZBUTRBHVXRPM-LBPRGKRZSA-N 289.354 3.597 30 20 CHED C=CCCCOC(=O)Cc1nc(-c2ccccc2)oc1C 117993355 SMOWIGNFQDTFBP-UHFFFAOYSA-N 285.343 3.702 30 20 CHED CSCCCCC(=O)Nc1sc2c(c1C#N)CCC2 172356200 ZCENWGYMNOPVMJ-UHFFFAOYSA-N 294.445 3.580 30 20 CHED C=CCOc1ccccc1C(=O)O[C@@H](C)c1cccnc1 113473952 ISGDNLDQGSTPIR-ZDUSSCGKSA-N 283.327 3.564 30 20 CHED CCOCc1cccc(Nc2cccc(F)c2C#N)c1 301153213 FBCMPOORYGHQRS-UHFFFAOYSA-N 270.307 3.977 30 20 CHED C=CCSCCC(=O)Nc1cc(Cl)ccc1OC 114757518 CCTDTNUCGBRAIA-UHFFFAOYSA-N 285.796 3.596 30 20 CHED Cc1cc(C)c(C(=O)Nc2cccc(OCCCC#N)c2)o1 175643510 YFDWNGOJCBCXSX-UHFFFAOYSA-N 298.342 3.831 30 20 CHED CC[C@H](CNc1ncccc1C#N)c1ccccc1 60847501 VNBZGUWFNUDKJB-CYBMUJFWSA-N 251.333 3.559 30 20 CHED COc1ccc(CSc2ccccc2C#N)cc1F 173720863 WSJJUGCHQLMXPE-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 175688446 VNFQLMSJMZNFMR-IBGZPJMESA-N 299.823 3.513 30 20 CHED CC(C)[C@@H](C#N)OC(=O)Cc1coc2cc3c(cc12)CCC3 176038928 UKDXICAHHKGIGN-QGZVFWFLSA-N 297.354 3.555 30 20 CHED COc1cccc(/C=C2\COc3c(C)ccc(C)c3C2=O)c1 63411854 PSQQGRGBJANNHD-OQLLNIDSSA-N 294.350 3.971 30 20 CHED C[C@H](c1nc2ccccc2s1)N(C)Cc1ccc(C#N)o1 179733218 PFHCXCRJHQCJLJ-LLVKDONJSA-N 297.383 3.954 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2oc(CC)nc2c1 118045177 JKHMSTPDZJBGBC-UHFFFAOYSA-N 285.347 3.596 30 20 CHED CC[C@@H](CC#N)Nc1ncnc2sc3c(c12)CCCC3 302173504 VITUUGWQIMYWBF-JTQLQIEISA-N 286.404 3.674 30 20 CHED C=CCc1ccc(OC(=O)C[C@H]2C=CCC2)c(OC)c1 60952775 QEXZDKBZNGBIDO-AWEZNQCLSA-N 272.344 3.685 30 20 CHED C=CCc1cc(OCC)cc(CN(C)C2CCC2)c1O 172963421 MNHBHDZTNYRSNO-UHFFFAOYSA-N 275.392 3.504 30 20 CHED Cc1ccc(N2CCC[C@H](NCC(C)(C)CCC#N)C2)cc1 174589266 DBDGWSYMXNBJBX-KRWDZBQOSA-N 299.462 3.883 30 20 CHED CCN(Cc1ccc(Cl)c2cccnc12)C[C@H](C)C#N 64249271 SKIOUJNUUNBXLE-GFCCVEGCSA-N 287.794 3.870 30 20 CHED CC(C)(C)C(=O)CS[C@@H](C#N)C1CCCCC1 176950777 HEMBFNIJXAGKJK-LBPRGKRZSA-N 253.411 3.807 30 20 CHED N#Cc1ccc(F)c(CSc2ccccc2C#N)c1 173711428 MFQGKXGTIFLYQG-UHFFFAOYSA-N 268.316 3.861 30 20 CHED C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(C#N)cc1F 301742277 LPJLCAFQOWLEMV-SJCJKPOMSA-N 284.334 3.621 30 20 CHED C=CCOc1ccc(O[C@@H](C)c2nc(C3CC3)no2)cc1 174234033 TVEYEVOSUPGMBV-NSHDSACASA-N 286.331 3.652 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2CCCC[C@H]2O)c1 125352235 XYMSNBIJDSNHGG-SMDDNHRTSA-N 298.308 3.540 30 20 CHED C=CCCCC(=O)N(C)CC1(c2ccccc2)CC1 186761568 IWRWSDPIUHSUHE-UHFFFAOYSA-N 257.377 3.533 30 20 CHED CC(C)CCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 75299305 CTIOOOXJXQLDEA-SJORKVTESA-N 284.403 3.721 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 185609232 AFNQCLINERKSJB-SNVBAGLBSA-N 295.766 3.667 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OC2CCC2)c(F)c1 185772127 LEUHVSBVBHRERG-UHFFFAOYSA-N 289.350 3.745 30 20 CHED C=C[C@@H](CC(=O)OCC(F)(F)C(F)F)c1ccccc1 122534020 BILCULGXVDREGT-JTQLQIEISA-N 290.256 3.790 30 20 CHED C=C(Br)CN[C@H]1CCCC12CCCC2 306173340 JLXBPDOJZIBSJK-NSHDSACASA-N 258.203 3.598 30 20 CHED CCCCCCCC(=O)N1CCC([C@@H]2CCCO2)CC1 187629695 QMUGMPDDRPVPMO-INIZCTEOSA-N 281.440 3.765 30 20 CHED C[C@@H](SCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 185098426 YMIXHXIPDDMCHR-LLVKDONJSA-N 277.389 3.694 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@](C)(OC)C1CC1 413694169 QIMWPPYXTQCMBE-WMLDXEAASA-N 296.455 3.578 30 20 CHED Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1C 411129328 GABXZXYLMMTLIJ-DLBZAZTESA-N 290.366 3.917 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CCC 412838316 JXDOLBOOYBAZPH-GOEBONIOSA-N 259.393 3.726 30 20 CHED CC(C)C1CCC(N(C)C(=O)c2cscc2C#N)CC1 410768850 SHKSMYYJALIOTD-UHFFFAOYSA-N 290.432 3.907 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@@H](C#N)c1ccccc1Cl 186871916 ILYUYWJBDKCUOU-XUJVJEKNSA-N 290.794 3.847 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2cccc(C)c2)n1CC 127188711 LSYZGLSAMXLGGE-CYBMUJFWSA-N 286.404 3.668 30 20 CHED CCCC(C#N)(CCC)NC(=O)CSc1ccccc1 126233284 PIUHRGWCSCDCPB-UHFFFAOYSA-N 290.432 3.757 30 20 CHED Cc1cc(OCc2csc(C3CC3)n2)ccc1C#N 434649273 WFVOKPZTZUEYFW-UHFFFAOYSA-N 270.357 3.780 30 20 CHED CC(C)CC1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 416093981 DZTQANOLCRYLMP-QGZVFWFLSA-N 296.414 3.878 30 20 CHED C=CCOCCCN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C 503412033 SSJNJJBKSOWVAP-BBRMVZONSA-N 279.811 3.757 30 20 CHED C=CCn1c(SC(CC)CC)nnc1C1CC1 185422112 BJJUYBFSFRLMMI-UHFFFAOYSA-N 251.399 3.622 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)c1ccccc1 121411953 IGHRTBMZEPETMM-AWEZNQCLSA-N 272.392 3.769 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N1CCCc2cc(C#N)ccc21 411003596 UGYAXUWTCVDRRU-HIFRSBDPSA-N 282.387 3.664 30 20 CHED C=CCCCCCN1CCC[C@@H]1CN1CCCCC1 487911214 IFZLEIIXJLRDSW-QGZVFWFLSA-N 264.457 3.683 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1ccc(F)cc1OCC#N 120030286 KGHAOYYGBXMCMR-UHFFFAOYSA-N 292.354 3.739 30 20 CHED C[C@H](NCCCSCC#N)c1ccc(C2CC2)cc1 419362428 VCTGCJKCLRMGPY-ZDUSSCGKSA-N 274.433 3.861 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccccc2F)cc1[N+](=O)[O-] 211735639 XRTLAOOXCXZGPK-HJWRWDBZSA-N 285.274 3.938 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCOc2c(F)cccc21 188576228 ZRROOGDHHJMZPW-PBHICJAKSA-N 291.366 3.758 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(F)cc1OCCC 181797085 VDQDWVMYBMVQMR-UHFFFAOYSA-N 280.343 3.654 30 20 CHED C=CCOc1ccc(COC(=O)CCc2ccoc2)cc1 186195023 FMLUBMYQJVXGQN-UHFFFAOYSA-N 286.327 3.520 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1F)c1ccccc1 412674800 RLMSMIUIHSFXSZ-BZUAXINKSA-N 275.367 3.743 30 20 CHED CO[C@](C)(C1CC1)[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 414224742 AZACAGSWFFWTID-PEBVRCNWSA-N 290.382 3.552 30 20 CHED C=CCCCOc1ccc(Br)cc1C(C)=O 70592600 WDEYPRIDVRCGKA-UHFFFAOYSA-N 283.165 3.997 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC[C@H]1CC[C@@H](C)O1 75198592 XAKAWPNALQNULW-GDBMZVCRSA-N 294.439 3.513 30 20 CHED C#CCCCCC(=O)Nc1c(F)cccc1NC1CC1 180316932 KNGGFSOWISTOCA-UHFFFAOYSA-N 274.339 3.532 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1nc(-c2cccc(F)c2)no1 185090171 KOWYXANILXLYGQ-NWDGAFQWSA-N 289.354 3.881 30 20 CHED CC#CCCCC(=O)NC1(c2nc(C)cs2)CCCC1 185548459 VJVXONFGIUFVDJ-UHFFFAOYSA-N 290.432 3.531 30 20 CHED CSc1cc(NC(=O)NCCCCC#N)ccc1Cl 417292768 IJRFZOCODQCWSK-UHFFFAOYSA-N 297.811 3.877 30 20 CHED Cc1ccc(C)c(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 41545790 QXPXPBPOZBWNFP-AWEZNQCLSA-N 290.322 3.935 30 20 CHED C=CCCCN(C)C(=O)Cc1c[nH]c2cc(Cl)ccc12 135080727 UWKAJLAQDQOZRL-UHFFFAOYSA-N 290.794 3.788 30 20 CHED CCNc1cccc(OCc2cccc(C#N)c2)c1 133049777 ADHDGICLYXXZRF-UHFFFAOYSA-N 252.317 3.569 30 20 CHED COc1ccc(SCc2cc(F)ccc2C#N)cc1 130237481 UFICWCXLAOKSDP-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CC(C)(C)c1cc(/C(O)=N/[C@@H]2CC23CCCCC3)no1 329131841 YANRDNKUCCKJRA-GFCCVEGCSA-N 276.380 4.000 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 84071492 ISZGJPXWOFNELH-AWEZNQCLSA-N 284.384 3.891 30 20 CHED Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(C#N)cc1 47334333 XFKSOZPWFNICQI-CQSZACIVSA-N 293.370 3.619 30 20 CHED O/C(=N/Cc1ccno1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329081499 DCYNFNDAIKVCFY-FPMFFAJLSA-N 262.353 3.738 30 20 CHED CC(C)[C@@H]1CCC[C@@H](/N=C(/O)c2snnc2C2CC2)C1 329537251 UVSKOEOOEWWFSI-VXGBXAGGSA-N 293.436 3.935 30 20 CHED C=CCOc1ccc(CN2C[C@@H](C)OC[C@H]2C)cc1Cl 508024085 DSTAOTMKBFZEGW-CHWSQXEVSA-N 295.810 3.514 30 20 CHED CCCC(CCC)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 410626159 PAYNZYWDQPRRPH-XJKSGUPXSA-N 264.413 3.791 30 20 CHED C=CCC1(C(=O)N[C@H]2CCCOc3ccccc32)CCC1 190878754 XAXYCMVZCQFWHD-HNNXBMFYSA-N 285.387 3.763 30 20 CHED Cc1cnc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)s1 134900381 OCVVTVUDDYEJSL-RYUDHWBXSA-N 271.389 3.735 30 20 CHED Cc1cc(N2C[C@@H](c3ccccc3)C[C@H]2C)c(C#N)cn1 425233090 VJHXREISLGPPQF-ZBFHGGJFSA-N 277.371 3.644 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 192130215 CVYNHKIVGKYCKW-HNNXBMFYSA-N 275.779 3.807 30 20 CHED N#Cc1ccc(N2CCC[C@H](CC(F)(F)F)C2)cc1 420637142 VYOIBIXNDNEWIB-GFCCVEGCSA-N 268.282 3.727 30 20 CHED Cc1noc(C2CC2)c1N=C(O)N1CCCCC[C@H]1C 329796979 FGFZUVIEILOMST-SNVBAGLBSA-N 277.368 3.670 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCNc2ccccc2)c1 428115387 LYWFJKVVBFPNBC-UHFFFAOYSA-N 293.370 3.675 30 20 CHED C=CCCCN1CCN(CCCC=C)[C@@H]([C@H](C)CC)C1 510414224 RRWDXBIZDMTNEE-QZTJIDSGSA-N 278.484 3.951 30 20 CHED N#CCCCSCc1coc(-c2cccs2)n1 190900416 UNOHBIGDHOTZHT-UHFFFAOYSA-N 264.375 3.940 30 20 CHED C=CCC[C@@H](NCCN(C(C)C)C(C)C)c1ccco1 513758705 BOZOMJMBLROVSC-MRXNPFEDSA-N 278.440 3.995 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CC(F)F)c1ccccc1 422270686 WYPPGMSEFDNEBC-CQSZACIVSA-N 296.361 3.991 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1ccc(C#N)c(F)c1 192204508 OIMMKCFYPLLHTN-CVEARBPZSA-N 292.423 3.851 30 20 CHED C=C(C)C(C)(C)C(=O)N1Cc2ccccc2OC(C)(C)C1 424831709 RAOFMTFAUHNDER-UHFFFAOYSA-N 287.403 3.789 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1F)CC1CCC1 193210922 HCCUYRDCIMVMRE-UHFFFAOYSA-N 260.356 3.708 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C[C@@H]1C 514975377 ZARMHBCMJPOCCH-WMLDXEAASA-N 284.403 3.589 30 20 CHED CC1(C#N)CCN(Cc2ccsc2C(F)(F)F)CC1 529539541 CBULBTYJFPFKNA-UHFFFAOYSA-N 288.338 3.893 30 20 CHED CC(C)c1ccsc1C(=O)NCc1ccc(C#N)s1 421602453 RZVQTSJNHXVUSE-UHFFFAOYSA-N 290.413 3.735 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 515251592 DDXPMZAHVMNROA-RDTXWAMCSA-N 293.370 3.727 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccccc3F)C2)c(F)c1 337501862 MEUZGGSTEANCMF-CQSZACIVSA-N 298.336 3.826 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 332628645 SMGRGNQENKHELI-DOMZBBRYSA-N 297.402 3.597 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(C#N)cc1 510586821 BZOSEDXAKORLMZ-DZGCQCFKSA-N 270.376 3.504 30 20 CHED CCC(CC)CN(CCC#N)c1ncnc2ccsc12 339057996 KMHYNXWMILIWMV-UHFFFAOYSA-N 288.420 3.848 30 20 CHED N#Cc1ccc(/C=C/c2cccc(OC(F)F)c2)nc1 195295498 HKXFPIFKNIGODB-GQCTYLIASA-N 272.254 3.725 30 20 CHED N#Cc1ccc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)cc1 192197946 SBAKNCSOOLYZLC-UHFFFAOYSA-N 295.346 3.583 30 20 CHED C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(C#N)c(Cl)c1 336417263 FXJBSALDLQFKPS-NSHDSACASA-N 288.778 3.616 30 20 CHED N#Cc1ncccc1SCc1ccccc1Cl 236042134 IEIXLFMIPPAAJP-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C=C(CNC(=O)[C@H]1CCCC[C@H]1C)c1ccccc1 424844816 HPBYPQMOOJIUJN-CJNGLKHVSA-N 257.377 3.642 30 20 CHED Cc1ccsc1CN[C@@H]1CCc2ccc(C#N)cc21 336579561 CHKBEPAPRYFPBC-OAHLLOKOSA-N 268.385 3.705 30 20 CHED N#Cc1ccc(F)c(CN[C@H](Cc2ccccc2)C2CC2)c1 90117272 AMMJRSCGVPLMLP-LJQANCHMSA-N 294.373 3.808 30 20 CHED CC[C@@H](NCCCCC#N)c1cc(C)ccc1OC 93405013 FFVMKKLYAXSSLI-OAHLLOKOSA-N 260.381 3.738 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNCc1ccc(C#N)cc1 512230596 UMGVHPJBQMVQLE-RHSMWYFYSA-N 256.393 3.864 30 20 CHED C=C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 382549256 CKXPYYQBMFQHIR-UHFFFAOYSA-N 297.152 3.514 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(OCC)cc2)CCC1 437237648 QGBWHTXNXFKNNT-DLBZAZTESA-N 299.414 3.804 30 20 CHED CN(Cc1ccc(C#N)cc1Cl)C(C1CC1)C1CC1 439451692 MCWTVIHIWQGNKN-UHFFFAOYSA-N 274.795 3.832 30 20 CHED C[C@H](C(=O)Nc1ccc(F)cc1F)c1cccc(C#N)c1 334553974 RYNBFTPFVDZODV-JTQLQIEISA-N 286.281 3.579 30 20 CHED C=CCOc1ccc(CNCc2ccc(C)c(F)c2)cc1 237748601 YLASJLBJVFNLMJ-UHFFFAOYSA-N 285.362 3.989 30 20 CHED CC1(C)CCC[C@H]1C(O)=Nc1cccc2c1C(O)=NC2 330005534 BYVOEQPDACPJIP-NSHDSACASA-N 272.348 3.919 30 20 CHED C=CC[C@H](C)NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 437444585 GBSHWKFZEDOCMO-SRVKXCTJSA-N 292.345 3.619 30 20 CHED N#Cc1c(F)cccc1CN[C@@H](c1ccccc1)C(F)F 433059538 UFVHHYAWCYRLQX-HNNXBMFYSA-N 290.288 3.793 30 20 CHED N#Cc1cc(CN2CCCC23CCCCC3)ccc1F 533935906 VFNZELCPMLSHRC-UHFFFAOYSA-N 272.367 3.996 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 529170712 LPDAIHVZCFPFLO-RDJZCZTQSA-N 298.430 3.714 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 247680679 ZPFBSVGLQWBXAO-XHSDSOJGSA-N 281.440 3.811 30 20 CHED N#Cc1cccc(CN2CCCC23CCCCC3)c1 535381679 UFQXFRFNEHHNCZ-UHFFFAOYSA-N 254.377 3.857 30 20 CHED C=CCCC1(c2nc(C3CCSCC3)no2)CC1 347109857 IOKLRAGIZOALIC-UHFFFAOYSA-N 264.394 3.678 30 20 CHED Cc1cnc([C@H](N[C@H]2CCC[C@@H](C#N)C2)C2CC2)s1 248994638 OMLRXXKAAMMRJK-KWCYVHTRSA-N 275.421 3.575 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C)cc1C 436282386 JCRRIWURXKNQJE-BQFCYCMXSA-N 273.420 3.935 30 20 CHED C[C@H]1[C@H](C)CCN1c1c(C#N)cnc2c(F)cc(F)cc12 246996382 QYIKAVGGPSRRPD-ZJUUUORDSA-N 287.313 3.619 30 20 CHED Cc1cccc(-c2n[nH]cc2/C=C\c2ccncc2C#N)c1 349113332 RFPBOXUODXKXTC-WAYWQWQTSA-N 286.338 3.822 30 20 CHED C=CCOc1cccnc1C(=O)Nc1ccsc1Cl 438557570 CRZWJTKQGVIMFA-UHFFFAOYSA-N 294.763 3.614 30 20 CHED C=CCn1cccc1-c1nc(C(C)(C)CC=C)no1 340814511 GVUDZBPCHDFMPM-UHFFFAOYSA-N 257.337 3.578 30 20 CHED CN(CC(C)(C)C#N)[C@@H]1CCc2c(Cl)cccc21 433317140 KGYJEZVDEOQORT-CQSZACIVSA-N 262.784 3.809 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(OCc2ccccc2F)cc1 347034432 JGPKXJVMJAJZTO-LBPRGKRZSA-N 298.317 3.503 30 20 CHED CCc1nc(CN[C@H]2CCCc3cc(C#N)ccc32)cs1 341692792 FFAGDTOAMRRCEQ-INIZCTEOSA-N 297.427 3.744 30 20 CHED CC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1C#N 601914277 VREKIZABWCIBGW-ZJUUUORDSA-N 296.823 3.607 30 20 CHED C=CCCCOc1ccccc1C(=O)NCc1ccccc1 605076325 XRYJHLQLQKZIDY-UHFFFAOYSA-N 295.382 3.962 30 20 CHED COc1cc(NC[C@@H](C)CCC#N)ccc1Br 602491402 GCCNCDSJVSWCEU-JTQLQIEISA-N 297.196 3.809 30 20 CHED COCc1ccc(NC(=O)[C@@H](C)CC(C)(C)C)cc1C#N 529815182 CTMLICWMSJOMQS-LBPRGKRZSA-N 288.391 3.715 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CCC[C@@H]1C1CC1 602692601 BMVSRXXTMVRHMD-DJIMGWMZSA-N 290.451 3.501 30 20 CHED Cc1cc2cc(C(=O)/C=C\c3cn(C)nc3C)oc2cc1C 255108985 DSKTVNROQCWEGG-WAYWQWQTSA-N 294.354 3.988 30 20 CHED C=CCCCCCN(C)C(=O)Cc1cc(C)ccc1OC 606813917 DZLYIHFRLVEEAK-UHFFFAOYSA-N 289.419 3.751 30 20 CHED C=CCOc1cccc(CNCc2cnc(C)cc2C)c1 449733316 HIGHNPROSSVSQZ-UHFFFAOYSA-N 282.387 3.553 30 20 CHED C[C@H](CCC#N)CNC1(c2cccc(Cl)c2)CC1 602554526 ZNCQUPTXMXEYCQ-GFCCVEGCSA-N 262.784 3.859 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](CCC#N)c2ccccc2)c1 255069022 RFKPDVDRQOYPDZ-IZQLPPHKSA-N 294.354 3.865 30 20 CHED N#Cc1cc(NC(=O)Cc2cc3ccccc3o2)ccc1F 609102662 NWSRYXZWCRDYIB-UHFFFAOYSA-N 294.285 3.625 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2F)cc1C#N 255362115 FIKWFSKSTVDGIU-VURMDHGXSA-N 281.286 3.602 30 20 CHED Cc1ccc2c(c1)CN(C(=O)c1cc(C#N)ccc1Cl)C2 355632374 WZECTVYGVKSJSF-UHFFFAOYSA-N 296.757 3.676 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc2c(c1)OCO2 254749013 JXDUEYZUJPISSC-UHFFFAOYSA-N 290.269 3.530 30 20 CHED Cc1ccc(OCCN[C@@H](C)c2cccc(C#N)c2)c(C)c1 539500026 OQZKJNHVEDGWLZ-INIZCTEOSA-N 294.398 3.905 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](F)CC 352916926 UDLQOYMRPPBGGS-HNNXBMFYSA-N 267.392 3.590 30 20 CHED CCO[C@H](CCN[C@H]1CCc2ccc(C#N)cc21)C(C)C 353257453 QJNCVUWHDHXWSB-ZWKOTPCHSA-N 286.419 3.586 30 20 CHED C=CCOc1ccc(CN(CC)C2CCC2)cc1OC 353818444 HQCVIZNOILKFQQ-UHFFFAOYSA-N 275.392 3.634 30 20 CHED C=C[C@@H](C)N[C@H](CC)c1ccc(OC(F)F)cc1 358289607 CVCKNORWCHYIRJ-ZWNOBZJWSA-N 255.308 3.903 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccccc1OCC(F)F 602284787 SEXCWPNKOYVKQI-UHFFFAOYSA-N 296.317 3.599 30 20 CHED C=C(C)[C@H](CC(=O)NC[C@@H](CC)c1ccccc1)OCC 533713799 TUDIMKFRNJVMOW-WBVHZDCISA-N 289.419 3.668 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N(CCC#N)CC1CC1 358048969 NGMWQALVDVGKTB-AWEZNQCLSA-N 276.424 3.745 30 20 CHED CC(C)COc1ccc(CCN[C@H]2CC[C@H](C#N)C2)cc1 442774381 AHLWMNLFFWWAOJ-IRXDYDNUSA-N 286.419 3.546 30 20 CHED C=CCSCCNC(=O)C1(CC=C)CCCCC1 448819111 SUKFPSKIRVYCLO-UHFFFAOYSA-N 267.438 3.548 30 20 CHED N#Cc1ccc(N[C@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] 357661248 NDWKBIJBULZHEH-CABCVRRESA-N 297.289 3.574 30 20 CHED C=CCC1(C(=O)Nc2cnn(CC(C)C)c2)CCCC1 449980158 ICJQEQLYJUQBMI-UHFFFAOYSA-N 275.396 3.614 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](CC)c1ccc(F)cc1F 449950975 GPSHWUGRSAKJKH-ZDUSSCGKSA-N 267.319 3.744 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H]1[C@H](C)CCC)OCC 535941242 APJJFVUVYRXRCM-PMPSAXMXSA-N 281.440 3.785 30 20 CHED C=CCCCC[C@@H](C)NCCc1cn2ccccc2n1 449220426 QENAGUAMYMQUOE-OAHLLOKOSA-N 271.408 3.601 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCC(F)(F)C1 611475705 AZRJUDVVCMLHDD-UKRRQHHQSA-N 276.330 3.713 30 20 CHED C=CCCCCCOc1cccc(C(=O)NC2CC2)c1 447321554 QOEAIURBTYBMLO-UHFFFAOYSA-N 273.376 3.704 30 20 CHED Cc1cccc2c(N3CC[C@H](C4CC4)C3)c(C#N)cnc12 611204600 CVYIRUGVZDHQOO-AWEZNQCLSA-N 277.371 3.651 30 20 CHED C[C@@H](CN(C)C(=O)c1ccc(C#N)cc1)C1CCCCC1 530043410 YFKWLCUJMWKGKD-AWEZNQCLSA-N 284.403 3.847 30 20 CHED C[C@H](C#N)C(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 456858768 DUXVANNTJCUGHM-OSAQELSMSA-N 290.794 3.642 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1c1ccnc(C#N)c1 450593098 ASTCLMKQLYIHTI-GLJUWKHASA-N 277.371 3.724 30 20 CHED Cc1ccc(-c2ncco2)cc1NC(=O)C1(C#N)CC(C)C1 535464490 OXLJULUMNBXUSH-UHFFFAOYSA-N 295.342 3.528 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@](C)(C#N)C1 612240888 UQEKWQJANPHFIQ-VQIMIIECSA-N 298.430 3.798 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCc2ccc(C)s2)c1 456966247 NGNRVYMGZRWBMQ-UHFFFAOYSA-N 284.384 3.808 30 20 CHED C=CCCNC(=O)CCCc1ccc2ccccc2c1 617616687 CYYYEIVGBLUJIQ-UHFFFAOYSA-N 267.372 3.855 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1ccc(C)cc1 455527702 VTDBTCDDSXSKHF-MRXNPFEDSA-N 272.392 3.808 30 20 CHED N#CCCCCN1CCN(C2CC2)c2ccc(Cl)cc21 360957037 JSZFQRPBUFBOEP-UHFFFAOYSA-N 289.810 3.823 30 20 CHED COc1ccc(C)cc1[C@H](C)OC(=O)CC(C)(C)C#N 278865414 UUSABKNJOMKVRB-LBPRGKRZSA-N 275.348 3.548 30 20 CHED Cc1ccc(F)c(CCN[C@@H](C)c2cccc(C#N)c2)c1 453344976 JQMVSJKKGYOBTL-AWEZNQCLSA-N 282.362 3.899 30 20 CHED CN(CC#Cc1ccccc1Cl)CCc1ccccc1O 544190457 WHRRIYYNNHJVOM-UHFFFAOYSA-N 299.801 3.572 30 20 CHED Cc1nc2c(c(Sc3ccc(C#N)cc3F)n1)CCCC2 543876819 FIZTXDBLSOCJEB-UHFFFAOYSA-N 299.374 3.826 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1C(=O)CC(C)(C)C#N 618678235 JXDKPPHLMGUJAU-QGZVFWFLSA-N 284.403 3.708 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 362597981 BDBGUAGMZNCLLJ-NXEZZACHSA-N 269.797 3.511 30 20 CHED C=C(C)COCCN[C@@H]1CCC[C@@H]1c1ccccc1 540163069 KPXLTXHYXBNXKT-IAGOWNOFSA-N 259.393 3.505 30 20 CHED Cc1cc2cc(C(=O)NCC(C)(C)CC#N)oc2cc1C 457989401 FOARYXZMTSRMKP-UHFFFAOYSA-N 284.359 3.719 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1C)C1CC1 540134670 OGVTYJGCTJNDEB-GFCCVEGCSA-N 293.794 3.593 30 20 CHED C=CCn1c(SC(CC)CC)nc2sccc2c1=O 543643574 IKTGDJUFCRYWRD-UHFFFAOYSA-N 294.445 3.925 30 20 CHED C=CC[C@@H](C(=O)N1[C@H]2C=CC[C@H]1CC2)c1ccccc1 368754601 WIMBLBGILPVSBC-YESZJQIVSA-N 267.372 3.666 30 20 CHED CCNc1nnc(SCCCCC(C)(C)C#N)s1 277555924 JWHRMKBXXXDWSE-UHFFFAOYSA-N 284.454 3.782 30 20 CHED N#Cc1cc(C(=O)Nc2ncccc2Cl)ccc1Cl 541595484 QZMSPEUVIWJLIF-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCC(C)(C)CC#N 459260360 PMOPXWPHVFBTEE-KGLIPLIRSA-N 279.428 3.536 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCCc1cccs1 540488118 SQDKQYNVBHYSOD-ZDUSSCGKSA-N 280.437 3.725 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCC1(C)C 455083289 FNJYKQAKWCMRAC-INIZCTEOSA-N 299.418 3.526 30 20 CHED C=CCC[C@H](CC)N[C@@H](CCOC)c1ccco1 272513049 GQULQWXFVHMXTI-KBPBESRZSA-N 251.370 3.692 30 20 CHED C=CCNC(=O)c1ccccc1NCc1cccc(CC)c1 468817488 CCULZKVJSCUPAI-UHFFFAOYSA-N 294.398 3.777 30 20 CHED C=CCCc1nc(Cc2c[nH]c3ccc(Cl)cc23)no1 545020731 CZANQYWJQPDBBL-UHFFFAOYSA-N 287.750 3.914 30 20 CHED C=CCCOCC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 620328172 LGUKLKIXRUCQLL-OAHLLOKOSA-N 293.407 3.870 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(-c2nc(C)co2)ccc1C 288631955 RUMYTEIYCJEQBZ-KRWDZBQOSA-N 297.358 3.837 30 20 CHED N#Cc1cnc(N2CCc3c(Cl)cccc32)c(Cl)c1 465061447 XOYCTUZPACEOLJ-UHFFFAOYSA-N 290.153 3.954 30 20 CHED CC#CC(=O)Nc1ccc(S[C@H](C)CC)cc1C 283099762 GMGFTQMDVGZYCM-GFCCVEGCSA-N 261.390 3.847 30 20 CHED C=CCN(CC=C)c1nnc([C@@H](C)CC)n1CC(=C)C 460767619 CJZJAKUHOUUVNW-AWEZNQCLSA-N 274.412 3.546 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccsc1 281016212 PDCBXRCEXUWEFD-SNAWJCMRSA-N 260.362 3.730 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccccc1OC(C)C 280717194 UOSDWGCNAWJMQH-SJLPKXTDSA-N 289.419 3.545 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(F)c(OC)cc1C 281289053 CHSFECHTLRBZJS-LLVKDONJSA-N 280.343 3.619 30 20 CHED C=C(C)CCNc1cc(NC(=O)C2CC2)ccc1C 288802788 ZHJVOKHUMRCENV-UHFFFAOYSA-N 258.365 3.722 30 20 CHED Cc1csc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1C#N 288884515 RSUMWIDKAVVAJQ-SMDDNHRTSA-N 262.378 3.549 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2ncccc2c1 54108691 PLUQISBEWWHYST-UHFFFAOYSA-N 267.332 3.503 30 20 CHED C=CCCCC(=O)Nc1ccc2nc(OC)sc2c1 552220758 JUDHBICICQZLEJ-UHFFFAOYSA-N 276.361 3.600 30 20 CHED CCn1c(CN2CCCC(C)(C)[C@@H]2C#N)nc2ccccc21 559959136 MNVUBCGTMCKZRQ-INIZCTEOSA-N 296.418 3.570 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CC[C@@H](F)C1)c1ccccc1 554031589 ISNRXZQTBNIHQC-PMPSAXMXSA-N 275.367 3.743 30 20 CHED C=CCCCCNC(=O)N(CC=C)Cc1ccccc1 474094456 IXAHLHBXMRIYTC-UHFFFAOYSA-N 272.392 3.741 30 20 CHED C=C1CCN(C(=O)c2ccc(C(C)(F)F)cc2)CC1 292993957 FNGJZNSAOAASJU-UHFFFAOYSA-N 265.303 3.591 30 20 CHED CC(=NNc1ncccc1C)c1cc(Cl)cc(C)c1O 807984731 USCUUHZOVPSJCT-UHFFFAOYSA-N 289.766 3.894 30 20 CHED C[C@H]1CC/C(=C\C(=O)NCc2ccc(C#N)c(Cl)c2)C1 801070438 INXVKGGBXSKYFW-SERMCNLOSA-N 288.778 3.574 30 20 CHED C=C1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 553023935 ZZGURFSRXHLLCB-UHFFFAOYSA-N 296.201 3.793 30 20 CHED C=CCCC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 557685975 ADFIUOGQPYFTIS-QGZVFWFLSA-N 271.404 3.921 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl 555135162 FIZCCYDFKVORQP-UONOGXRCSA-N 290.794 3.594 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 476096118 RUHNHWWKKAHZBA-MLGOLLRUSA-N 281.359 3.585 30 20 CHED CC(C)Oc1ccc(N[C@H]2CC[C@@H]2C2CC2)cc1C#N 809635547 IHTUNRPHFYMSJD-CVEARBPZSA-N 270.376 3.946 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 474574098 BTCNIIOIJQNBSK-JGGQBBKZSA-N 290.382 3.726 30 20 CHED C[C@@H](C#N)OCCNC1(c2cccc(Cl)c2)CCCC1 801938522 GBTNKHRYFQEDNH-ZDUSSCGKSA-N 292.810 3.628 30 20 CHED C=CCCCCCCNC(=O)/C=C/c1ccc(O)cc1 805220293 LEXKFZHOKSCLRU-JLHYYAGUSA-N 273.376 3.658 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc(F)cc2C)no1 561888400 GKZFFSJLMNACLQ-INIZCTEOSA-N 290.338 3.664 30 20 CHED COCCCCNc1ccc(Oc2ccnc(C#N)c2)cc1 290634899 NBQCUXAGXRFRGR-UHFFFAOYSA-N 297.358 3.584 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C)cc1OC 566613701 CPNGCZHSQSKUHO-VKJFTORMSA-N 289.419 3.635 30 20 CHED Cc1cc(Cl)cc([C@H](C)NCC2(CC#N)CC2)c1O 808718328 MNLBMJOWQFRTJV-NSHDSACASA-N 278.783 3.699 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C1=CCCCCC1 560592283 WHRNDPHZFNEDKE-UHFFFAOYSA-N 283.375 3.819 30 20 CHED Cc1cc(C)c([C@H](C)OC(=O)c2cnccc2C#N)c(C)c1 805716030 IXHQXKDNCFJENH-AWEZNQCLSA-N 294.354 3.797 30 20 CHED Cc1ccccc1CCCN1CCC(CCC#N)CC1 566172974 ICBHURCCQHWUJQ-UHFFFAOYSA-N 270.420 3.943 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccnc(C(F)(F)F)c1 808705417 FYJMQEGQDRKLRX-JTQLQIEISA-N 286.297 3.575 30 20 CHED N#CCc1ccc(COc2ccc3c(c2)CCCC3=O)cc1 399276744 VYACZHSOOPKHBL-UHFFFAOYSA-N 291.350 3.851 30 20 CHED C#Cc1ccc(CNC[C@@H](OC)c2cccc(Cl)c2)cc1 809623969 FXULTAYRERKWLB-GOSISDBHSA-N 299.801 3.799 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2cccnc2C#N)C1 567157004 INMYOHACZISAOI-GOSISDBHSA-N 277.371 3.511 30 20 CHED C=CCC1(CN[C@H]2CCO[C@@H](CC)C2)CCCC1 648788851 AYPSJTYNUGDNQQ-GJZGRUSLSA-N 251.414 3.670 30 20 CHED N#Cc1ccnc(SCCCc2nc3ccccc3[nH]2)c1 564029214 WTLDDRRHPKUHSW-UHFFFAOYSA-N 294.383 3.554 30 20 CHED CC(C)CN(CCC#N)Cc1cc(Cl)c(F)cc1O 816481408 VAZYVDWOYKOSAC-UHFFFAOYSA-N 284.762 3.556 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc2c(s1)CCCCC2 815077111 YRBLLNZBBOLMJI-UHFFFAOYSA-N 286.347 3.562 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNC[C@@H]1CCSC1 811662462 LTUCZYSBZCHFFV-LBPRGKRZSA-N 282.840 3.633 30 20 CHED CCC(C)(C)c1ccc(CNC(=O)c2ccc(C#N)o2)cc1 487293806 RVFORAJBEOZCTP-UHFFFAOYSA-N 296.370 3.769 30 20 CHED CCC(=NNc1cccc(F)c1F)c1ccc(F)cn1 814858677 CHRBJLBXWMOJNZ-UHFFFAOYSA-N 279.265 3.725 30 20 CHED C=CCC[C@H](NCC(C)(C)COCC)c1ccco1 564152555 OSVXQURYHQTCNS-AWEZNQCLSA-N 265.397 3.939 30 20 CHED C=CCCCCCCCNC(=O)c1c(F)ccc(O)c1F 811590747 ISBGYJBFSXAMOK-UHFFFAOYSA-N 297.345 3.927 30 20 CHED c1cncc([C@@H]2CCCC(=NOCCC3CC3)C2)c1 814246617 UIDMOIFQODANSR-CQSZACIVSA-N 258.365 3.912 30 20 CHED Cn1cc(NN=C2CCCC[C@@H]2C2CCCCC2)cn1 814914800 IPFHLGZRMGOMKO-OAHLLOKOSA-N 274.412 3.959 30 20 CHED C=C(C)CN(C)C(=O)NC[C@@H](CCC)CCCC 487937164 VUAMVOVRUKAZCR-AWEZNQCLSA-N 254.418 3.810 30 20 CHED C=CCN(CCOC)CCc1ccc2ccccc2c1 484584356 NVXCKKKCJOMAJE-UHFFFAOYSA-N 269.388 3.517 30 20 CHED C#CCCCNc1nc(-c2ccccc2F)cs1 814854602 OWKQTPXFBAWPID-UHFFFAOYSA-N 260.337 3.775 30 20 CHED C=CCC1(NC(=O)C2CCC(OC)CC2)CCCCC1 654020823 GERXCIVNMPGLCN-UHFFFAOYSA-N 279.424 3.587 30 20 CHED C=CCCCCOC(=O)[C@@H](OCC)c1ccccc1 811014081 PTYYVQBKVQXFGR-HNNXBMFYSA-N 262.349 3.664 30 20 CHED C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@H]1c1ccccc1 483072762 WJHREIFMOVFGNN-FZKQIMNGSA-N 280.346 3.890 30 20 CHED c1nc(NN=C2CC[C@H]2C2CCC2)c2sccc2n1 814880268 YHTUCGVYLFBVSF-JTQLQIEISA-N 272.377 3.669 30 20 CHED CN(C)C(=S)NN=C1CCCC[C@H]1C1CCCCC1 814844669 OLQANPFTYPNINB-ZDUSSCGKSA-N 281.469 3.549 30 20 CHED C=CC1CCN(c2cnc(-c3ccccc3)cn2)CC1 488097196 GGFRKYABTPOOAS-UHFFFAOYSA-N 265.360 3.546 30 20 CHED N#CCC1(OC(=O)CCc2cnc3ccccc3c2)CCC1 810856296 QKZMWRCRMXNULB-UHFFFAOYSA-N 294.354 3.547 30 20 CHED C=CCOCCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 573865595 IBEHFMJZRDOQFI-LBPRGKRZSA-N 287.325 3.901 30 20 CHED N#CCCCCNC(=S)Nc1ccc2ccccc2c1 728798990 NSMNWSDGXCSJBJ-UHFFFAOYSA-N 283.400 3.820 30 20 CHED CC(Cc1cccs1)=NNc1cnc2ccccc2n1 729638826 HFJAAVLNWNMNFE-UHFFFAOYSA-N 282.372 3.722 30 20 CHED Fc1cccc(F)c1NN=Cc1cccc2cc[nH]c12 814853017 YAMNRIAHAAQQPZ-UHFFFAOYSA-N 271.270 3.892 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N[C@H]1C[C@@H]1C(F)F 570086364 JSUVNWHXXMMNFH-ONGXEEELSA-N 293.704 3.825 30 20 CHED N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc3ccoc3c2)C1 576828821 SVUQVVMXQZRMHJ-AAEUAGOBSA-N 283.331 3.637 30 20 CHED CCn1c(C)cc(C=NN[C@H](C)c2ccccc2)c1C 728226062 GNNWJPLZIBTUMP-CQSZACIVSA-N 269.392 3.810 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 656543673 FUJLLNUWUJZBOY-GFCCVEGCSA-N 262.328 3.646 30 20 CHED C=CCCNC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 661570860 UACVFMUWPWYOPW-MRXNPFEDSA-N 272.392 3.726 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(-c2cnco2)cc1 490100141 WACIFUANQOBQEN-UHFFFAOYSA-N 293.326 3.581 30 20 CHED C[C@H](C#N)Oc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 824942417 ZPNIRWJBSFQOIQ-ZNZDAUKMSA-N 296.414 3.598 30 20 CHED CCCCN(Cc1ccc(C#N)cn1)Cc1ccccc1F 582249350 LRFBXDSNCNJPRQ-UHFFFAOYSA-N 297.377 3.895 30 20 CHED CCN(CCCC1(C#N)CCOCC1)[C@@H]1CCCC[C@@H]1C 499699569 ZDQNPEZJTRPDSQ-DLBZAZTESA-N 292.467 3.988 30 20 CHED C=C(C)CN(CC)C(=O)Cc1coc2c(F)c(F)ccc12 906077702 UJRDCSAYBMCTFS-UHFFFAOYSA-N 293.313 3.678 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCc2ccc(F)cc21 730147212 NBQMZVNMGVOWDE-ZNBBLSJYSA-N 255.292 3.638 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1 730894538 RZPNKCWTGVLLRO-SNVBAGLBSA-N 286.718 3.525 30 20 CHED Cc1cccc(C)c1COC(=O)/C=C\c1ccccc1C#N 738605502 SUWOTCAXNCFSIT-KHPPLWFESA-N 291.350 3.932 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2cnnc3ccccc23)o1 733748213 LSPLAFYCOXARCQ-RISCZKNCSA-N 292.342 3.792 30 20 CHED CN(C)Cc1ccc(-c2ccc(CC#N)s2)s1 904864174 BLOYXJHUVKGPRV-UHFFFAOYSA-N 262.403 3.604 30 20 CHED N#Cc1ccc(COC(=O)c2cc3cc(F)ccc3o2)cc1 735548577 KWNTZWGMJRQCHR-UHFFFAOYSA-N 295.269 3.801 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(SC)cn2)C1 666650881 BAPCOVUJGPIDTC-LBPRGKRZSA-N 291.420 3.624 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnc(C)n1C 900320383 DKQBWQLJYNTRJY-UHFFFAOYSA-N 279.428 3.551 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc2occc2c1 665960348 WWLBPFPKUPGPHC-OAHLLOKOSA-N 284.359 3.683 30 20 CHED C[C@]1(C(=O)OC[C@@H](C#N)Cc2ccccc2)CC=CCC1 835210279 PKFHGQXNCRWAMU-AEFFLSMTSA-N 283.371 3.658 30 20 CHED N#CC1(COC(=O)[C@@H]2CCC[C@H]2c2ccccc2)CCC1 835311871 YRMOAIHXYLGGPQ-JKSUJKDBSA-N 283.371 3.807 30 20 CHED C[C@H](NN=C1CC[C@H](Cc2ccccc2)C1)C(F)(F)F 834998418 HASARMPFTBTCCZ-WCQYABFASA-N 284.325 3.926 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@H]2C2CCC2)cc1F 835009792 ZYAGJDQOHLGLIA-NSHDSACASA-N 276.311 3.502 30 20 CHED CC(C)CO[C@H]1CC(=NNc2cccc(C#N)c2)C1(C)C 737429017 LSRDSMPEQDYVHH-INIZCTEOSA-N 285.391 3.797 30 20 CHED C/C(=C\C(C)(C)C)C(=O)Nc1cccc(CC#N)c1 837072086 BPDFLGZBDKNHGT-VAWYXSNFSA-N 256.349 3.684 30 20 CHED C=CCCCC(=O)Oc1ccc(C(C)=O)c(Cl)c1 906247343 CPYFVNBFHMJTMA-UHFFFAOYSA-N 266.724 3.804 30 20 CHED CC(C)ON=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] 835000677 PVNFPCNOQOZICG-LBPRGKRZSA-N 276.336 3.718 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(O)c(C)c1 734302871 SRPQPIHAGSKFCW-UHFFFAOYSA-N 294.276 3.954 30 20 CHED COc1cccc(NN=C(C)c2cc(F)c(F)c(F)c2)c1 730432988 DVYBGFWELNFRIJ-UHFFFAOYSA-N 294.276 3.949 30 20 CHED Cc1nsc(NC[C@@H]2CCc3ccccc3C2)c1C#N 587980259 BISMJIXCPIRNQM-GFCCVEGCSA-N 283.400 3.540 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)ccc1F 584424921 ZMXNCIOBHXDPIW-KRWDZBQOSA-N 288.366 3.727 30 20 CHED N#CC[C@H](CC(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1 839058896 MJZNKYDMWAMPDM-UAGQMJEPSA-N 296.370 3.700 30 20 CHED N#CCCCCCC(=O)NCc1ccc(F)c(Cl)c1 588155563 KPTASENOMBRGRN-UHFFFAOYSA-N 282.746 3.569 30 20 CHED N#C[C@@]1(C(=O)NCc2ccc3occc3c2)CC12CCCC2 597975884 ONBJUHXGEIQWGU-GOSISDBHSA-N 294.354 3.523 30 20 CHED COCC1CCC(=NN[C@@H](C)c2ccccc2)CC1 834943706 FIVHMFZWQPDKFJ-LSLKUGRBSA-N 260.381 3.530 30 20 CHED C=C(C)CNC(=O)Nc1csc(-c2ccccc2)n1 672832658 HSNIBILVIPQVON-UHFFFAOYSA-N 273.361 3.508 30 20 CHED COc1ccc(Cl)cc1C=NNc1ccc(C#N)cc1 917549081 VWRPEONVLDXERP-UHFFFAOYSA-N 285.734 3.666 30 20 CHED CC(C)(C#N)CCCSc1ccc(Cl)nn1 747805727 JILUVDFOUKALOS-UHFFFAOYSA-N 255.774 3.552 30 20 CHED C=CCCCC(=O)OCc1cc(Cl)nc(Cl)c1 748236172 SYDFFJKFVBQGJW-UHFFFAOYSA-N 274.147 3.788 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2Cc3ccccc32)C(C)C)c1 741918390 CXZSQHBQOUCTFQ-LJQANCHMSA-N 289.378 3.749 30 20 CHED Cc1c(C#N)c(N2CCCC(F)(F)C2)nc2ccccc12 593487204 PXHRSGCVYLETJJ-UHFFFAOYSA-N 287.313 3.650 30 20 CHED Cc1cc(F)cc(C)c1C(=O)OCCC(C)(C)C#N 849983708 MKYRGOXMKLCIOJ-UHFFFAOYSA-N 263.312 3.539 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C1CCCC1)C1CC1 593959620 YAVNYIATYUZVAT-AWEZNQCLSA-N 296.414 3.670 30 20 CHED C=CCN(CCC#N)C(=O)CCc1ccc(C)c(Cl)c1 590038184 RVFQJVGRQQLVGZ-UHFFFAOYSA-N 290.794 3.509 30 20 CHED C#CCOc1cccc(NC(=O)N(C2CCCC2)C2CC2)c1 746724227 PBUKBUWLNCNQHS-UHFFFAOYSA-N 298.386 3.638 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCCSC1 748733738 CRIUWKBEFQAEKY-CYBMUJFWSA-N 257.443 3.749 30 20 CHED Cc1ccc2sc(CN3CCC[C@@H](CC#N)C3)nc2c1 599468353 DNCXPVVUBDOKQF-ZDUSSCGKSA-N 285.416 3.730 30 20 CHED COc1ccc2c(c1)O/C(=C/c1ccc(F)c(F)c1)C2=O 749131541 BUOKYIGEBGFEIA-VIZOYTHASA-N 288.249 3.590 30 20 CHED C#CCN(CC)Cc1csc(Nc2ccc(C)cc2)n1 749155491 SUKMBCCQBITTHE-UHFFFAOYSA-N 285.416 3.650 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc2c(c1)CCCCC2 593275287 WWWWSTPVHRPDTN-UHFFFAOYSA-N 297.402 3.889 30 20 CHED C=CCN(C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1)C(C)C 744364081 YZUHYYRUBMPCFX-JYJNAYRXSA-N 281.440 3.783 30 20 CHED CCCON=C(C)c1sc(-c2cccnc2)nc1C 842558151 UYRTVTURIRNYKV-UHFFFAOYSA-N 275.377 3.664 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2ncc(CCC)s2)c1 847166008 YEAYSIRCECPQLX-UHFFFAOYSA-N 299.399 3.745 30 20 CHED C=C[C@@H](C)ON=C(CC)c1ccc(Cl)c(N)c1 844620785 POMOBYJTTXIMHC-SECBINFHSA-N 252.745 3.627 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)OCCCCC#N 912958672 FZTXKWZDOBCILQ-UHFFFAOYSA-N 294.354 3.908 30 20 CHED Clc1ccc(NN=Cc2ccccc2Cl)cn1 743450288 OUTQFBHYOKJXKU-UHFFFAOYSA-N 266.131 3.834 30 20 CHED CCc1ccccc1NN=Cc1cn[nH]c1-c1ccc(C)o1 915051733 PGTIYLGSKCZEBR-UHFFFAOYSA-N 294.358 3.987 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C(/C)c1cccc(Cl)c1 749933818 LWDJDOVGPIAAFV-KOTGUFOOSA-N 276.767 3.552 30 20 CHED CO[C@]1(C)CC(=NNc2cccc([N+](=O)[O-])c2C)C1(C)C 746576855 RCUUFYJSICHJED-OAHLLOKOSA-N 291.351 3.506 30 20 CHED C#CC1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 843709278 MCTZYLFAPKXSEL-UHFFFAOYSA-N 289.806 3.535 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccncc1 745827400 JTIVNAPCOPFVTN-ULQDDVLXSA-N 299.418 3.673 30 20 CHED C[C@@H](COC(=O)c1ccccc1SCC#N)CC(F)F 842437117 KSEMOWKDSQYHDI-SNVBAGLBSA-N 299.342 3.750 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)N[C@H]1CCc2cc(C#N)ccc21 922241380 IBQGZIGIHIASQS-LRDDRELGSA-N 297.402 3.518 30 20 CHED C=CCC1(C(=O)N2CCCc3sccc3C2)CCC1 682896647 ZCUNMRIDTKIVTL-UHFFFAOYSA-N 275.417 3.769 30 20 CHED COCCC(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(C)C 756825736 KZYAPRNXRGIYOV-UHFFFAOYSA-N 299.758 3.709 30 20 CHED Cc1cc(Cl)cc(C)c1C=NOCc1cccnc1 756894838 AEYXLQRERXVMOM-UHFFFAOYSA-N 274.751 3.903 30 20 CHED C=CCC1(CN[C@H](C)[C@@H]2C[C@H]3CC[C@H]2O3)CCCC1 926540817 MPPGRPDDCQIKAV-LVQVYYBASA-N 263.425 3.669 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cccc2ccncc12 755597967 CGMBFMZXYYNTND-HJWRWDBZSA-N 299.333 3.758 30 20 CHED CC(Cc1ccc(C(F)(F)F)cc1)=NOCC(F)F 758904158 RQWWONGZOFBDEU-UHFFFAOYSA-N 281.224 3.906 30 20 CHED Cc1ccsc1/C=C1/COc2c(F)cc(F)cc2C1=O 920065812 AZCNMOYGYRBCJD-WTKPLQERSA-N 292.306 3.993 30 20 CHED CC[C@@H]1CCCC(=NN=c2cc[nH]cc2Cl)C1 756839022 PFVPRQQMBLYEEX-SNVBAGLBSA-N 251.761 3.525 30 20 CHED C/C(=C\C(=O)N(CCC#N)CC(C)C)c1cccs1 857707919 FBAVTZZBMCPBHL-JLHYYAGUSA-N 276.405 3.550 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C[C@H](O)c1ccco1 850441669 FPISQQZCDVKTHD-FZKCQIBNSA-N 277.408 3.816 30 20 CHED CCCCCCCCCN(C)Cc1nccc(C)n1 756487635 UXECKQSLHKCATE-UHFFFAOYSA-N 263.429 3.967 30 20 CHED C=C(C)CNC(=S)Nc1ccc(COC(C)(C)C)cc1 752243010 DYHZVWNFFLGNIC-UHFFFAOYSA-N 292.448 3.864 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)OCC 756538670 OQAKLHMMNOAJLR-CZUORRHYSA-N 287.359 3.534 30 20 CHED Fc1cccc(NN=C2CSCc3ccccc32)c1 920386236 UTVODLVXGSWWGD-UHFFFAOYSA-N 272.348 3.889 30 20 CHED Cc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1[N+](=O)[O-] 921263904 KRZYRMVEUYCJDF-KPKJPENVSA-N 297.285 3.865 30 20 CHED CCCCCCCCNC(=O)c1oc(C)cc1C 754841281 JJXJPLPKEQVYFJ-UHFFFAOYSA-N 251.370 3.987 30 20 CHED C#CC[C@H](Nc1ncnc2ccsc12)c1ccccc1 756952767 AZMYQNWMNLTITJ-ZDUSSCGKSA-N 279.368 3.868 30 20 CHED CC1CCC(N(C)C(=O)Nc2ccc(C#N)cc2)CC1 45027224 MZJTVTPSLZFVGD-UHFFFAOYSA-N 271.364 3.601 30 20 CHED CC(C)n1ncc(C(=O)O[C@@H](C)CC#N)c1-c1ccccc1 753973886 KTTIPZDSXRUGCV-ZDUSSCGKSA-N 297.358 3.590 30 20 CHED C#CCCCC(=O)Nc1cc(C(C)(C)C)ccc1OC 757761407 YUVXTBZPXYTANU-UHFFFAOYSA-N 273.376 3.735 30 20 CHED C#CCCCCNC(=O)/C(C)=C/c1cccc(Cl)c1 759361379 VVBCFOAHVRZGIM-ACCUITESSA-N 275.779 3.663 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccccc1F)OCC 756470056 JEYJCXLYFQPDCD-SWLSCSKDSA-N 280.339 3.801 30 20 CHED C=C1CN(C(=O)Nc2ccc(N3CCCCCC3)cc2C)C1 931384028 ZUBPRPYSBSXSPD-UHFFFAOYSA-N 299.418 3.779 30 20 CHED C#CCCOC(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 859126011 XRDLYIPKEWMQEC-LLVKDONJSA-N 299.292 3.558 30 20 CHED CCCC1(C(=O)OCc2cccc(C#N)c2)CCC1 759448179 JMFVBGMDUOQBKI-UHFFFAOYSA-N 257.333 3.572 30 20 CHED C=CCC1(NC[C@H](O)c2ccc(F)cc2Cl)CCCC1 852588229 RQPVGNNLSDMVID-HNNXBMFYSA-N 297.801 3.991 30 20 CHED C#CC[C@@H](NC(=O)NC1CCCCCC1)c1ccccc1 757059330 QGPPODGEIBPIQV-QGZVFWFLSA-N 284.403 3.773 30 20 CHED Cc1cccc(Cl)c1NC(=O)NCc1ccc(C#N)cc1 767991954 DDGGNVHJYJSVHE-UHFFFAOYSA-N 299.761 3.842 30 20 CHED CC(C)n1ccn(CN2CCCC(C)(C)[C@@H]2C#N)c1=S 766114694 YEKKYDKGIFBWER-ZDUSSCGKSA-N 292.452 3.572 30 20 CHED COC1(C(C)=NNc2ccc(F)c(Cl)c2)CCC1 863179373 UWMMMTCAKCEAAT-UHFFFAOYSA-N 270.735 3.836 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)OCc1ccc(CC#N)cc1 769177555 RJIOAWVSIOSYEX-CJNGLKHVSA-N 271.360 3.622 30 20 CHED CCOCC(C)=NNc1c(Cl)cc(F)cc1Cl 767909861 OTEGWJQBIFOYDK-UHFFFAOYSA-N 279.142 3.957 30 20 CHED CCc1cnccc1C(C)=NNCc1ccc(Cl)cc1 765583924 MDMYBBNCTLZMQK-UHFFFAOYSA-N 287.794 3.811 30 20 CHED C=CCN(Cc1cccc(OC)c1OC(F)F)C(C)C 768548159 XHWGLKYCWPMQNA-UHFFFAOYSA-N 285.334 3.693 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(F)cc1 767363732 VJEUJSYZXPBMJT-UHFFFAOYSA-N 267.307 3.620 30 20 CHED Cc1sc(Cl)nc1C(=O)Nc1cccc(C#N)c1C 762895850 BHQXPTYXAQVFGT-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CCn1nc(C=NNc2ccc(Cl)nc2)c2ccccc21 769789915 IDFQNDXFGRCOND-UHFFFAOYSA-N 299.765 3.551 30 20 CHED CC(=NNc1ncc(F)cn1)c1cccc(Cl)c1Cl 760253926 JVJZQQDJABBBMS-UHFFFAOYSA-N 299.136 3.759 30 20 CHED C=C(C)COC(=O)/C=C/c1ccc(SC)s1 860290033 LLQHYIUTABBPRT-GQCTYLIASA-N 254.376 3.603 30 20 CHED CC#CCCCC(=O)N[C@@](C)(CC)c1ccccc1 767087471 UNSLCCDRGCIUBP-KRWDZBQOSA-N 257.377 3.622 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 878042979 MRMJIDCPSSLCJX-UHFFFAOYSA-N 294.782 3.839 30 20 CHED C=CCCN(C)C(=O)c1ccc(OC(F)F)c(Cl)c1 879688641 ISQTUXRCRKGQPF-UHFFFAOYSA-N 289.709 3.590 30 20 CHED C#CCCCCCC(=O)N(Cc1ccco1)C(C)C 779807980 UXCSVIPPYVRIGD-UHFFFAOYSA-N 261.365 3.600 30 20 CHED C#CCCCCCC(=O)N(C)[C@H](C)c1ccc(F)cc1 779758437 MDHLNJHHQRWLOQ-CQSZACIVSA-N 275.367 3.929 30 20 CHED CCC(=O)c1cc(C(=O)OCCC(C)(C)C#N)ccc1F 776399745 ZLPJYJNAWGRKFI-UHFFFAOYSA-N 291.322 3.515 30 20 CHED C=CCOc1ccc(OC(=O)[C@H]2CC[C@@H](C)C2)cc1 776332307 VBKBZGWKOFYBMR-OLZOCXBDSA-N 260.333 3.593 30 20 CHED COCCC(Cc1cccc(F)c1)=NOC1CCCC1 774604585 YXSPAKPNCBXABT-UHFFFAOYSA-N 279.355 3.720 30 20 CHED CN(C(=O)C1(F)CCCCC1)c1ccc(C#N)c(Cl)c1 876168067 GIMYKEMQAZRJAK-UHFFFAOYSA-N 294.757 3.847 30 20 CHED C#CC[C@H](NC(=O)Nc1ccnc(Cl)c1)c1ccccc1 778276718 LTJCUDIEXLXHBE-AWEZNQCLSA-N 299.761 3.621 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1C[C@@]1(C)C(C)C)c1ccccc1 775458259 AUDSPOGDINXWOC-BQFCYCMXSA-N 269.388 3.549 30 20 CHED N#CCCCOC(=O)/C=C/c1cc(Cl)cc(Cl)c1 1118517617 CFTMQHNMPVDCDD-ONEGZZNKSA-N 284.142 3.854 30 20 CHED C#CCCc1noc(C2(c3ccc(F)cc3)CCCC2)n1 770877370 ZQVGKRCZHILWRW-UHFFFAOYSA-N 284.334 3.635 30 20 CHED C=C(CC)C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 1123775704 BUFUKMRAUJYDNZ-RYUDHWBXSA-N 261.340 3.626 30 20 CHED COC(=O)c1ccccc1NN=Cc1ccccc1Cl 776189432 JJWCDOLFLQVJRD-UHFFFAOYSA-N 288.734 3.573 30 20 CHED Clc1ccc2cccnc2c1C=NNC1CCCC1 781122161 KSJXKWCSEUSMLI-UHFFFAOYSA-N 273.767 3.754 30 20 CHED CCCCC[C@](C)(CC)C(=O)N(CC)C[C@@H](C)C#N 780378155 YQCIYYXJOMSIEG-HOCLYGCPSA-N 266.429 3.991 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1 783877685 NHKNDOCDIODHFM-UHFFFAOYSA-N 294.745 3.919 30 20 CHED CC[C@H](C)[C@H](C)C(=O)OCc1cn2ccccc2c1C#N 780244706 DPTMNSDWLDOELE-STQMWFEESA-N 284.359 3.536 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)C=C1CCC1)c1cccs1 1123105580 GYTMXRFTTUCDEO-WFASDCNBSA-N 275.373 3.992 30 20 CHED C=CCCCCCOC(=O)[C@H](O)c1ccccc1Cl 783907578 JRSCVTGGVOFTER-CQSZACIVSA-N 282.767 3.663 30 20 CHED Cc1cc(COC(=O)[C@H](C)c2ccsc2)ccc1C#N 783744853 LWHOVBKZINXQGV-GFCCVEGCSA-N 285.368 3.775 30 20 CHED Cc1ccc2nc(/C=C3\CCc4sccc4C3=O)cn2c1 789141928 HWWURYOSZSHVDU-XYOKQWHBSA-N 294.379 3.917 30 20 CHED CCCC(CCC)C(=O)N(C)c1snc(C)c1C#N 891431060 XBMRWZPQHQREAA-UHFFFAOYSA-N 279.409 3.502 30 20 CHED COc1cccc(NN=C(C)c2cc(C(=O)O)ccc2C)c1 788422708 JZMDLNGTLSARFZ-UHFFFAOYSA-N 298.342 3.538 30 20 CHED C=CCC[C@@H](C)OC(=O)c1c[nH]nc1-c1ccsc1 781322710 NCMIVNUOORDIHI-SNVBAGLBSA-N 276.361 3.650 30 20 CHED C(=NOC[C@@H]1CCOC1)c1cccc(Oc2ccccc2)c1 788033791 LYMSNZIIPJDDCI-MRXNPFEDSA-N 297.354 3.866 30 20 CHED C[C@H]1CC(C(=O)OCc2cccc(C#N)c2)C[C@H](C)C1 780231785 FZJPNEPNMOMIGT-CHWSQXEVSA-N 271.360 3.674 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cc(Cl)ccc1Cl 788031023 BQSFBKRLHBVOKQ-SNVBAGLBSA-N 288.174 3.771 30 20 CHED C=C(Br)COC(=O)CCCc1ccsc1 783264272 QALBODXRXUNXLD-UHFFFAOYSA-N 289.194 3.523 30 20 CHED Clc1sccc1C=NNCCCOc1ccccc1 790162173 QXNJOBRYJKXIPK-UHFFFAOYSA-N 294.807 3.794 30 20 CHED O=C(/C=C\c1ccccc1Cl)c1ccnc(F)c1 794719538 BIOSXNWTXAMPNV-WAYWQWQTSA-N 261.683 3.770 30 20 CHED Cc1cc(C(=O)/C=C/c2c(F)ccc(O)c2F)ccc1O 794934242 HPCYHUXFPYNDGH-ZZXKWVIFSA-N 290.265 3.581 30 20 CHED CC(C)(C#N)CCCCN(Cc1cccnc1)C1CC1 277726096 NTVVGHZBESJKAS-UHFFFAOYSA-N 271.408 3.766 30 20 CHED C#CCCCC(=O)N(CC)c1ccc(Cl)c(F)c1 799408832 ANSZUNWDUHMXCX-UHFFFAOYSA-N 267.731 3.636 30 20 CHED FCC[C@@H]1CCCC1=NN=c1cc[nH]c2ccccc12 794908186 AZQBYTKNXLADIV-LBPRGKRZSA-N 271.339 3.584 30 20 CHED CC1(C)CN(CC#Cc2ccccc2)[C@@H]2CCC[C@@H]21 559432828 XSXSOURZYZYIAG-DLBZAZTESA-N 253.389 3.549 30 20 CHED COCCN(C)N=C(C)c1ccc(-c2cccs2)cc1 794963025 HJTPPFIPXRMQME-UHFFFAOYSA-N 288.416 3.717 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCN(CC2CC2)C1 793541450 NIWSQDHGYHFBDY-RDJZCZTQSA-N 264.457 3.585 30 20 CHED CC(C)[C@@H](F)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567538 JULFGVYYSVOKEA-MWLCHTKSSA-N 282.384 3.611 30 20 CHED C#C[C@H](CCC)NC(=O)C(C)(C)c1cccc(Cl)c1F 791742874 WYCPKAFHMUDGGF-LLVKDONJSA-N 295.785 3.675 30 20 CHED Fc1cccc(NN=C2C[C@H]3CCCc4cccc2c43)n1 795008259 ZRZZQXIBKDORQA-GFCCVEGCSA-N 281.334 3.861 30 20 CHED CC(C)c1cccc(C(=O)N2CCC[C@H](CC#N)C2)c1 597900151 JRCZOYNUWPHHKM-CQSZACIVSA-N 270.376 3.576 30 20 CHED CC(C)(CNCc1cccc(C#N)c1)c1cccs1 83601783 JTIIRQFATFIHBQ-UHFFFAOYSA-N 270.401 3.687 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 767044309 KULXJCIOULLXMH-QLFBSQMISA-N 261.409 3.511 30 20 CHED CC(C)[C@@H]1CCC[C@@H]1NCc1cc(C#N)ccc1F 773029547 HBMAGHVHWBCBKX-HOCLYGCPSA-N 260.356 3.612 30 20 CHED CCc1cccc(Nc2ccc(Cl)c(C#N)n2)c1 1306915028 IHWHKPHHASNMQO-UHFFFAOYSA-N 257.724 3.913 30 20 CHED C#CCCCCC(=O)NC[C@H]1CCCCC(F)(F)C1 794597104 XSGFEQZIAINYTQ-ZDUSSCGKSA-N 271.351 3.512 30 20 CHED C=C(CNC(=O)N[C@H]1CCCCC1(C)C)c1ccccc1 1312245659 PQEXNMATLXAGSQ-INIZCTEOSA-N 286.419 3.968 30 20 CHED N#CCSCc1nnc(-c2cccc3ccccc23)o1 1326250617 JLMVTFJISZQXQU-UHFFFAOYSA-N 281.340 3.647 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(-c2nc(C)no2)cc1 1329653844 HGNORGKAXIRIQF-UHFFFAOYSA-N 299.374 3.520 30 20 CHED C#Cc1cccc(NCc2c(Cl)cccc2N(C)C)c1 1320272382 BPJVJLVKIMQNGT-UHFFFAOYSA-N 284.790 3.999 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc(Cl)cc1 1322547494 YYZCTYPDGRADIV-UHFFFAOYSA-N 269.731 3.720 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C=C\c1cc(Cl)cc(Cl)c1 1329033429 AIYSEVKJUHIIJN-DSYXLKISSA-N 297.185 3.767 30 20 CHED CCCCCCC[C@H](C)NCc1c(O)nnc(C)c1C 1320585080 PLMYFJLKMMDMTG-LBPRGKRZSA-N 279.428 3.638 30 20 CHED C=CCN1CCC(Nc2cc(C)c3ccccc3n2)CC1 1322090726 VNSBUQWMSHCIMR-UHFFFAOYSA-N 281.403 3.606 30 20 CHED Cn1cc(-c2ccc(/C=C\c3cc(C#N)ccn3)cc2)cn1 1328933820 CBICKEQDYZLTSZ-DAXSKMNVSA-N 286.338 3.524 30 20 CHED C/C(=C/c1nnc(COc2ccccc2C#N)o1)C(C)(C)C 1322087821 SJEZMLKAYGOSAP-XFXZXTDPSA-N 297.358 3.970 30 20 CHED Cc1sc(NC(=O)c2csc(C#N)c2)nc1C(C)C 1331198426 YZAXFGUJNRCZJZ-UHFFFAOYSA-N 291.401 3.760 30 20 CHED C=C(C)CCC(=O)N(C)Cc1cc2ccccc2o1 1335838121 BTCYBKCSQAGHTK-UHFFFAOYSA-N 257.333 3.748 30 20 CHED N#C[C@@H](C(=O)[C@@H](F)CC1CCCCC1)c1cccc(F)n1 1263380982 GZZWXYBYCLFZFR-OLZOCXBDSA-N 292.329 3.705 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1cccc(F)n1 1344004581 LVGFORVBBIPBTR-HUUCEWRRSA-N 296.345 3.666 30 20 CHED C=C(CC)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 1263750992 OMADBRKZGWTYNI-XHDPSFHLSA-N 261.340 3.701 30 20 CHED Cn1cc(-c2ccc(C=NNCC3(C)CCCC3)cc2)cn1 1261223454 WRORVZUUEOLKRA-UHFFFAOYSA-N 296.418 3.591 30 20 CHED CCCCCC[C@@H](C)CC(=O)[C@@H](C#N)c1nccn1C 1342163151 CAURYIZECLDVAL-ZIAGYGMSSA-N 275.396 3.593 30 20 CHED N#CC[C@@H](C(=O)N1CCC2(CCCCC2)C1)c1ccccc1 1361098488 KFLKWYYMFXXRRL-QGZVFWFLSA-N 296.414 3.867 30 20 CHED C[C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 108886739 FVSIABFAMYRGKH-VXGBXAGGSA-N 273.336 3.705 30 20 CHED C[C@H](OC(=O)[C@H](C)Cc1ccc(C#N)cc1)c1ccoc1 1527028218 WXSARBGJATXYTJ-OLZOCXBDSA-N 283.327 3.634 30 20 CHED N#Cc1cccc(OCCN2CCc3c(Cl)cccc32)c1 1459721510 NZTXRLSPPYNFOS-UHFFFAOYSA-N 298.773 3.653 30 20 CHED C=C(CC)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1520914464 YQIXBUQZLQQHJU-IAGOWNOFSA-N 287.403 3.579 30 20 CHED CCCCC[C@H](CC)C(=O)[C@@H](C#N)c1ncc(Cl)n1C 1520028408 CCOTXYMYKYCEDC-NWDGAFQWSA-N 295.814 3.856 30 20 CHED COc1ccccc1CCNc1ccc(C#N)c(Cl)c1 111104412 SDDKHZZZTWRQFV-UHFFFAOYSA-N 286.762 3.875 30 20 CHED C#CCC1(C(=O)Nc2ccc(C(=O)O)c(C)c2)CCCCC1 1602698362 DDZMVJQGAFCPJA-UHFFFAOYSA-N 299.370 3.606 30 20 CHED CCc1ccc(CN(CC(C)C)C(=O)[C@H](C#N)CC)cc1 1469336537 OXVQZLTVPLJJNZ-KRWDZBQOSA-N 286.419 3.783 30 20 CHED CC1(C)CCC[C@H]1NC(=O)Nc1cc(C#N)c(F)cc1F 1477014743 FNOQOMMHGQOQRB-CYBMUJFWSA-N 293.317 3.537 30 20 CHED C[C@@H](CCC#N)Sc1nc(O)c2ccc(Cl)cc2n1 1472990770 PMNWJPZXXWNUSD-QMMMGPOBSA-N 293.779 3.773 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]([C@@H](C)N)C1 115859414 NFMWRCXYZDCHBD-HZPDHXFCSA-N 282.472 3.713 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(F)cc1C#N)C[C@H](C)O2 1559587679 HCZGFVVNOYCCSN-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED C[C@H]1CCC[C@@H](CNCc2ccc(C#N)cc2F)C1 227596540 FCVNIJCGHFCUMY-GXTWGEPZSA-N 260.356 3.613 30 20 CHED CC[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@@H](CC)O1 1646287409 OATUODDYYWZMGO-HZPDHXFCSA-N 292.810 3.601 30 20 CHED N#Cc1cnc(Oc2ccc(-c3ccccc3)nc2)c(F)c1 1642465736 YUYBXUXTVSCVFM-UHFFFAOYSA-N 291.285 3.947 30 20 CHED CC[C@H](Cc1ccccc1)N(C)c1ncc(C#N)cc1F 1655191631 GWDAHJRPJJKDFH-OAHLLOKOSA-N 283.350 3.550 30 20 CHED C[C@H](CNc1c(Br)cccc1C#N)C1CC1 1651424550 HEAOMJGGTBUSBN-SECBINFHSA-N 279.181 3.779 30 20 CHED C[C@H]1CCCC[C@]1(C)NCc1ccc(F)cc1C#N 1658910330 VGJWQDWZUCMNQO-LRDDRELGSA-N 260.356 3.756 30 20 CHED CC(C)[C@]1(C)C[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1667341146 BXCLVZVRCPARNF-ZFWWWQNUSA-N 291.782 3.768 30 20 CHED CCCCCCCC(=O)Oc1ccc(C(=O)O)c(OC)c1 1595705333 WINZLMSNTNSENH-UHFFFAOYSA-N 294.347 3.659 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(F)c1 1670704438 HARMMIHEZJMSSM-WCQYABFASA-N 289.354 3.645 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(CC(=O)O)cc2)cs1 1777417991 LZBXFSWSVPOJTB-SREVYHEPSA-N 286.352 3.580 30 20 CHED C=Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)cc1 1776194521 SJUAZQHBPPNNFT-FMIVXFBMSA-N 292.334 3.853 30 20 CHED N#Cc1ccccc1NC(=O)c1cc(Cl)ccc1F 19480964 NKDHOACJDNJEMA-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC(C)(C#N)CCCCN1CCc2ccc(F)cc21 232530133 AQZOVDXOALUALP-UHFFFAOYSA-N 260.356 3.908 30 20 CHED C=CCN(CC=C)Cc1cccc(-c2ccncc2)c1 158134127 AUBQWUGQUASIAD-UHFFFAOYSA-N 264.372 3.923 30 20 CHED N#Cc1cccc(SCc2cn3ccccc3c2C#N)c1 158658580 HAPGZMQUJCKTGT-UHFFFAOYSA-N 289.363 3.975 30 20 CHED N#Cc1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1 151172002 IIMCBJVGNJUOAB-UHFFFAOYSA-N 288.709 3.532 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(C#N)c1 151381524 LRTPSFRRFKRTPM-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED CCCCC[C@H](C(=O)Nc1ccn(CCC#N)n1)C(C)C 152112068 VANSKNVZTICDFJ-AWEZNQCLSA-N 290.411 3.588 30 20 CHED CCN(C(=O)c1cc(C(C)(C)C)on1)c1ccc(C#N)cc1 152056121 TTZCQSODMQLFPH-UHFFFAOYSA-N 297.358 3.510 30 20 CHED C=C[C@H](C)NC(=O)CCC(=O)c1csc2ccccc12 153904394 UGCOCZUGLWBRGG-NSHDSACASA-N 287.384 3.555 30 20 CHED N#Cc1ccc(C(=O)/C=C\C2=Cc3ccccc3OC2)cc1 207873636 UUZQVRZDHDIJLY-YFHOEESVSA-N 287.318 3.773 30 20 CHED N#Cc1cc(NC(=O)c2ccsc2Cl)ccc1F 1125787251 PZAVKTZOPJWAQL-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1cc(Cl)cc(C(=O)N[C@H](C#N)C2CCCCC2)c1 127491425 LFJPFLOFRYPUAV-OAHLLOKOSA-N 290.794 3.851 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](c1ccccc1)[C@H](C)CC 252372919 MPNQYYNJYWAATA-BMFZPTHFSA-N 272.392 3.625 30 20 CHED CC(C)c1nc(CNc2cccc(C#N)c2)cs1 153369465 JEESFWULWCYFKN-UHFFFAOYSA-N 257.362 3.750 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F 49120033 WOGKHBDXVMWDIN-XJKSGUPXSA-N 260.356 3.756 30 20 CHED N#Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)nc1 51953165 WXOHWSNKKYDHFW-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCC(C)(C)CNC[C@@H]1CCOc2ccccc21 311595531 BHCLUTFODLXGIU-AWEZNQCLSA-N 259.393 3.745 30 20 CHED CC(C)(C#N)CCOc1c(F)c(F)c(F)c(F)c1F 87596078 MKFGORQEVLEXNP-UHFFFAOYSA-N 279.208 3.701 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@H]1C[C@H]1C 583353322 LMDWIVLDPIJRJY-GDBMZVCRSA-N 257.377 3.637 30 20 CHED Cc1ccc2c(c1)C(=NOCc1ccccc1)CC2 730948054 VZHVCPCECVNTIA-UHFFFAOYSA-N 251.329 3.862 30 20 CHED C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(C#N)c1 4836560 DNZRHOJUOFYIJN-CYBMUJFWSA-N 296.395 3.819 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](SC)c1ccccc1 172370655 LNNWFSMSYQNHIQ-AWEZNQCLSA-N 263.406 3.515 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC1(C)CCC(C)(C)CC1 412614528 PFUAUIFRCKXHFP-INIZCTEOSA-N 264.413 3.649 30 20 CHED C#CCOc1ccc(NC(=O)[C@H](C)c2ccccc2F)cc1 108973575 WVNFEFUTBRSAOY-CYBMUJFWSA-N 297.329 3.580 30 20 CHED C=CCn1c(S[C@H]2C=CCCC2)nnc1-c1ccccn1 178310462 FBZNOZINXDPPHZ-ZDUSSCGKSA-N 298.415 3.727 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 59270399 FDHNBPPJOGKOJY-UXBLZVDNSA-N 291.350 3.776 30 20 CHED C=CC[C@H](C)NC(=O)c1sc(-c2ccc(C)o2)nc1C 116853921 MFWDLFMIFORHGG-VIFPVBQESA-N 290.388 3.714 30 20 CHED N#Cc1ccc(OCCn2ccc(-c3ccsc3)n2)cc1 111178431 FLSIKQBESZRFLY-UHFFFAOYSA-N 295.367 3.562 30 20 CHED C#CCCCCC(=O)N1CCC(c2ccccc2C)CC1 119815639 HZYUNLGZYFTXLF-UHFFFAOYSA-N 283.415 3.895 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2sccc2C#N)c(C)s1 52030374 XAZUSRPGCYVLFM-SECBINFHSA-N 290.413 3.789 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(OC)c(F)c2)c1 21937048 FMJQIFYNTBXZIV-SOFGYWHQSA-N 286.302 3.739 30 20 CHED C=CCNC(=O)[C@H](C)Nc1cc(Cl)ccc1SCC 105413154 KXVDYQRQIQINDY-JTQLQIEISA-N 298.839 3.555 30 20 CHED CC1CCN(c2ccc(NCc3ccc(C#N)o3)cc2)CC1 178814343 YPRUTAKMIGQQHU-UHFFFAOYSA-N 295.386 4.000 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CCc1ccc(Cl)cc1Cl 63747239 NENASBARRJBIBY-JTQLQIEISA-N 299.201 3.544 30 20 CHED C[C@@H](C#N)CNCc1ccc(-c2ccccc2)s1 54181075 CNVFOSUHJHKUBD-LBPRGKRZSA-N 256.374 3.664 30 20 CHED C#CCCCCC(=O)NCC(C)(C)c1ccccc1C 119907158 YGHDEXAAFCLMBJ-UHFFFAOYSA-N 271.404 3.582 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1cccc(CC#N)c1 177191076 XXSWGGQVAAJYFZ-HUUCEWRRSA-N 292.382 3.675 30 20 CHED CCC1(CNc2ccc3cc(C#N)ccc3n2)CC1 301989224 WRZKXSLBSFAHQX-UHFFFAOYSA-N 251.333 3.709 30 20 CHED CC(C)(C)Oc1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)cc1 179892091 GKFZPYGUOCEPSS-SWLSCSKDSA-N 287.359 3.713 30 20 CHED Cc1ccc(CCN(C)Cc2ccc(C#N)cc2)cc1 303777745 NXKNWPYUQJWHSK-UHFFFAOYSA-N 264.372 3.541 30 20 CHED C=C(CNCc1cccn1C1CC1)c1ccccc1 1261254773 BRYJTGDIWWENDZ-UHFFFAOYSA-N 252.361 3.626 30 20 CHED Cc1cccc2c1CCN(c1snc(Cl)c1C#N)C2 171564403 XEGQHRUXVVTMEZ-UHFFFAOYSA-N 289.791 3.539 30 20 CHED CC(C)(C)c1ccc(OC[C@H](C#N)CCC#N)cc1 119249215 TVGDEXSOBBMAPH-ZDUSSCGKSA-N 256.349 3.806 30 20 CHED C[C@H](NCCCCC#N)c1ccc(F)cc1Br 178643144 MBEMCXGLAPHBJV-JTQLQIEISA-N 299.187 3.933 30 20 CHED CCC1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 176852910 CUIHIGKPGTZTCE-UHFFFAOYSA-N 285.391 3.799 30 20 CHED CCCCCCCCC(=O)Nc1c(C)n[nH]c1C 59322896 ILNRTWZTNZBZMR-UHFFFAOYSA-N 251.374 3.716 30 20 CHED COc1ccc([C@@H](C)CC(=O)Oc2ccc(C#N)cc2)cc1 175501098 CBORWNADISDTRQ-ZDUSSCGKSA-N 295.338 3.666 30 20 CHED CC(C)(C)CCCC(=O)O[C@@H](CC#N)c1ccco1 1263660984 WDJTYRFIQGZGEP-ZDUSSCGKSA-N 263.337 3.994 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1nc2ccccc2o1 120588224 LOGCRGUUYKTESD-GFCCVEGCSA-N 271.316 3.626 30 20 CHED C=C(CC)CN1CCC(OC2CCCCC2)CC1 358506204 JALSOBCZLCYAPQ-UHFFFAOYSA-N 251.414 3.766 30 20 CHED C=CCC[C@H](NCCCCN1CCCC[C@H]1C)C1CC1 120196961 CMBLAMXNRPRLOW-AEFFLSMTSA-N 278.484 3.975 30 20 CHED N#Cc1ccc(COc2cccc(Cl)c2)c(F)c1 19804902 KQUUWMIPJAPQOQ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=CCNC(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 69716691 MFRNJPBONSDIME-HZPDHXFCSA-N 272.392 3.540 30 20 CHED C[C@@H](CCNC(=O)C1(C#N)CCCCC1)c1ccccc1 60393939 AIDGJBNXXKABAD-HNNXBMFYSA-N 284.403 3.770 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(F)cc2C#N)cc1 183088473 JWVPJROPDCYTDN-CYBMUJFWSA-N 296.345 3.823 30 20 CHED N#Cc1cc(NCc2ccccc2O)ccc1C(F)(F)F 127935583 GPZKIRRSGBILPO-UHFFFAOYSA-N 292.260 3.895 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)c1cccc(C#N)n1 301537591 REDBLOGRJNPUQE-GFCCVEGCSA-N 277.327 3.897 30 20 CHED Cc1cc(CNc2cc(C#N)ccc2[N+](=O)[O-])ccc1F 302215566 ORGCJKSFQCJWJE-UHFFFAOYSA-N 285.278 3.526 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(O)c2)c(C)c1 213695865 LGZAGYRHCVPMDW-HJWRWDBZSA-N 252.313 3.905 30 20 CHED Cc1cscc1C(=O)O[C@H](C)c1ccc(C#N)cc1 79172970 BKZUGOJNBVKTRU-LLVKDONJSA-N 271.341 3.846 30 20 CHED CC[C@H](C)CS[C@@H]1CCN(c2sccc2C#N)C1=O 123923682 QJTATEWRHXHWPF-CMPLNLGQSA-N 294.445 3.504 30 20 CHED C=CCOc1cccc(CN(C)[C@H](C)c2ccccn2)c1 182064444 ANNSVGDKPDUEOK-OAHLLOKOSA-N 282.387 3.839 30 20 CHED CCCOc1cccc(/C=C\c2ccncc2C#N)c1 504741603 MBIDAXQGKDJNEX-SREVYHEPSA-N 264.328 3.912 30 20 CHED C=CCN(Cc1csc(C2CCCC2)n1)C1CC1 357554215 NZBGXIWEBLCJTQ-UHFFFAOYSA-N 262.422 3.951 30 20 CHED COCC[C@@H](C)CNc1cc(C#N)ccc1C(F)(F)F 413488999 GKJIPTKTHQIBHZ-SNVBAGLBSA-N 286.297 3.662 30 20 CHED CC[C@H](C#N)Sc1nccn1-c1cccc(C)c1 127242915 RMFQWHADWOYREV-CYBMUJFWSA-N 257.362 3.575 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)c1ccccc1 183167557 BURBCDMVMRCJOT-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED Cc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 123235309 OTXPKANAMROJKJ-LBPRGKRZSA-N 297.333 3.889 30 20 CHED N#CCCCOc1ccc(Br)cc1Cl 34936603 YYEJKKYDTKRCGU-UHFFFAOYSA-N 274.545 3.785 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CCCc2cc(F)ccc21 185303415 RLHOUEJYYOPXMO-GFCCVEGCSA-N 261.340 3.707 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@H](C)c1cccc(C#N)c1 75276392 RINNTUSFQXMJJH-UKRRQHHQSA-N 272.392 3.952 30 20 CHED C=CCOc1ccccc1-c1nc(C(C)(C)C)no1 504261479 WPRPRQUYJLZXNS-UHFFFAOYSA-N 258.321 3.599 30 20 CHED CC[C@H](C#N)OC(=O)CCCc1cccc(C(F)(F)F)c1 187529559 VWKQEXZRYXYALL-CYBMUJFWSA-N 299.292 3.873 30 20 CHED C[C@@H]1CCCC[C@H]1OCCSc1cc(C#N)ccn1 77906459 NUDGGYBQEDBMMH-TZMCWYRMSA-N 276.405 3.641 30 20 CHED C[C@H](NCCCC#N)C1(c2ccccc2)CCCC1 185958956 ZRNCZCRKAQWGHO-HNNXBMFYSA-N 256.393 3.780 30 20 CHED CC[C@H](CC(=O)OCC1(C#N)CCC1)c1ccccc1 183864152 GCTUCEYKZLSLFF-CQSZACIVSA-N 271.360 3.807 30 20 CHED C[C@@H](NC(=O)CCC(C)(C)C)c1cccc(C#N)c1 75272942 PVYRQQYLNDZJEB-GFCCVEGCSA-N 258.365 3.562 30 20 CHED CC#CCCCC(=O)Nc1ccc(COC(C)C)cc1 185265278 QOIVHLFGQGLFSH-UHFFFAOYSA-N 273.376 3.744 30 20 CHED C=CCn1c(C)nnc1SCc1cc(Cl)ccc1F 188770381 DQVPBLJRENJXRY-UHFFFAOYSA-N 297.786 3.857 30 20 CHED C=CCNC(=O)Nc1ccccc1Oc1cccc(F)c1 72008030 IWRAGPIDVHSIHZ-UHFFFAOYSA-N 286.306 3.926 30 20 CHED C=C(C)CN(C)Cc1ccccc1Oc1cccnc1 181277768 QQUMHHAORJZSMQ-UHFFFAOYSA-N 268.360 3.882 30 20 CHED C=CCc1cc(CN2CCC[C@H]2C(C)C)cc(OC)c1O 507114785 BNLMNMZAOPTTAR-INIZCTEOSA-N 289.419 3.750 30 20 CHED C=CCNC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 48955224 YXRNALGRVORPLD-UHFFFAOYSA-N 294.782 3.969 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cc3c(cc2Cl)OCO3)C1 185876480 JZRZBWXOHAOLTK-VHSXEESVSA-N 278.739 3.563 30 20 CHED C=CCC1(C(=O)Nc2cc(C(=O)OC)sc2C)CCC1 411104012 RVTFDGITCGTBMF-UHFFFAOYSA-N 293.388 3.528 30 20 CHED CC(C)(CC#N)CNc1ncc(F)c(-c2ccsc2)n1 418967330 ZSMIVHUKTIYRHP-UHFFFAOYSA-N 290.367 3.696 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)c1ccc(Br)cc1 49525846 OAEBAXFGVIVVQU-GWCFXTLKSA-N 281.197 3.792 30 20 CHED CCCCCCCCC(=O)Nc1ccc(N(C)C)cn1 195729033 ZUAZQWOKLITKGD-UHFFFAOYSA-N 277.412 3.837 30 20 CHED Cc1cccnc1C(=O)Nc1scc(C(C)(C)C)c1C#N 410925764 HGUVBURLDPYIDJ-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CCCc1cc(=O)[nH]c(/C(=C/c2cc(C#N)cs2)CC)n1 225719499 IREAMCZGLYMBCE-KPKJPENVSA-N 299.399 3.606 30 20 CHED Cc1nc2ccc(/C(O)=N/C[C@H]3C[C@H]4CC[C@H]3C4)cc2o1 329955000 OCONFEKALXBALC-SGMGOOAPSA-N 284.359 3.877 30 20 CHED CSC1(CNc2ccc(Cl)cc2C#N)CCC1 227988244 MHUDGWAFOCBGHJ-UHFFFAOYSA-N 266.797 3.909 30 20 CHED N#Cc1ccc(OC[C@H]2CCC3(CCCCC3)O2)cc1F 228021359 VQUOZTALKMNGFG-OAHLLOKOSA-N 289.350 3.958 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C(C)=C/CC 193577540 VGFOEKMUUWYODU-VGOFMYFVSA-N 273.376 3.566 30 20 CHED C[C@@H](c1cccs1)N(C)c1nc(Cl)c(C#N)s1 286156856 BVSGFYAVFPXQDU-ZETCQYMHSA-N 283.809 3.927 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@H](CC)C1 48199635 XLFHZWPCAYCUGC-AWEZNQCLSA-N 273.376 3.514 30 20 CHED C[C@H](NC(=O)N1CCCCCCC1)c1ccc(C#N)cc1 47052635 YGHDRHLYOAVEHL-AWEZNQCLSA-N 285.391 3.595 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SC(CC)CC 131767976 SIUILGJPJACCTK-GFCCVEGCSA-N 257.443 3.721 30 20 CHED Cc1nc(C)c(C#N)c(SCc2cc(F)ccc2F)n1 193758774 JTILPMKTRLXGFZ-UHFFFAOYSA-N 291.326 3.536 30 20 CHED C[C@@]1(C(O)=Nc2ccc3nc(C4CC4)oc3c2)CCOC1 329649968 CBYSMZWWLZBXPQ-MRXNPFEDSA-N 286.331 3.720 30 20 CHED C#CCCCNCc1cc(Br)c(Cl)s1 191226285 JENAGTICGAEZRE-UHFFFAOYSA-N 292.629 3.667 30 20 CHED C[C@]1(C#N)CCCN(Cc2cccc3ccccc23)C1 612159028 QGYUJYZIMIFNMF-GOSISDBHSA-N 264.372 3.965 30 20 CHED C=C1CCN(C[C@H](OC(C)C)c2ccccc2)CC1 428214816 GFKHENYWEKGRTB-KRWDZBQOSA-N 259.393 3.805 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CCC[C@@H](F)C1 335128442 CJLIPJKTXQBSEB-WCQYABFASA-N 294.757 3.873 30 20 CHED N#Cc1cccc(OCc2nnc(-c3ccccc3)s2)c1 193517891 AKNNWMBPBKYAOX-UHFFFAOYSA-N 293.351 3.656 30 20 CHED C=CC1CCN(C(=O)NCc2coc3ccccc23)CC1 512119201 RKGNRDXWPCXKQU-UHFFFAOYSA-N 284.359 3.540 30 20 CHED Cn1c(C2CC2)nc2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc21 333076538 LFUBFPMKGDXXLB-DGCLKSJQSA-N 280.375 3.555 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1csc(-c2ccncc2)n1 424792558 ZDGUTPTVYYRLMW-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=C(C)[C@H](CC(=O)N1CC[C@@H](C)c2ccccc21)OCC 339207701 BPTNSNZZFNOVQY-PBHICJAKSA-N 287.403 3.898 30 20 CHED CCN(C[C@H](C)C#N)C[C@@H](OC(C)C)c1ccccc1 428424817 SRGJMRJOZCYMRX-NVXWUHKLSA-N 274.408 3.634 30 20 CHED Cc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)s1 90107216 SGUUPYVUMWGRNR-CYBMUJFWSA-N 286.400 3.658 30 20 CHED Cc1c(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)ccc(C#N)c1C#N 421559646 PHFRYISQCUZZQX-KCQAQPDRSA-N 293.370 3.503 30 20 CHED CC(C)c1cccnc1N=C(O)[C@H]1CCCOCC1 330214808 GLRHGHCQDYNBSL-LBPRGKRZSA-N 262.353 3.610 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@]23CCC[C@H]2C3)c1 421474344 WWALKBQZLFXSMG-GUYCJALGSA-N 271.360 3.770 30 20 CHED C=CCCS[C@H](C)C(=O)NCc1ccccc1Cl 339093964 QLPBPINSPXVIMS-LLVKDONJSA-N 283.824 3.654 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 92892175 KRZAQBZFWVDSRO-WFASDCNBSA-N 292.810 3.717 30 20 CHED CC(C)(CC(F)(F)F)NCc1ccc(C#N)cc1F 614822460 OCSLOLLCMFRRRC-UHFFFAOYSA-N 274.261 3.518 30 20 CHED COc1cccc(Cl)c1C/N=C(/O)N[C@@H]1CCC[C@@H]1C 330374533 MVVXDYUXONVUHA-GXFFZTMASA-N 296.798 3.541 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N1CCC(CCC#N)CC1 519783734 XIPUYBVBFJIIJV-GOSISDBHSA-N 298.430 3.798 30 20 CHED Cc1nc(N2CCC[C@@H](c3ccccc3)C2)ccc1C#N 431497618 RZGRHRMLVRTWKU-QGZVFWFLSA-N 277.371 3.646 30 20 CHED CC[C@H](CC#N)NCc1ccc(F)c(Cl)c1Cl 432915004 CJCNZENTYIUENM-SECBINFHSA-N 275.154 3.914 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)C2(c3cccc(C#N)c3)CC2)C1 435354108 KZNULVZNQRYCEV-LSDHHAIUSA-N 296.414 3.627 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)c1ccc(Cl)cc1F 439161238 BQJFENQAYLXTPQ-OAHLLOKOSA-N 299.773 3.671 30 20 CHED C[C@H](NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1cccc(C#N)c1 245960763 YCPNWPCVOUMQSG-BBLUDWJGSA-N 288.394 3.795 30 20 CHED CCN(CC#N)C(=O)c1c(-c2ccccc2)oc(C)c1C 436154609 QJQBHLGKZAAKKF-UHFFFAOYSA-N 282.343 3.549 30 20 CHED N#Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1F 345645805 QXIOZGGQFBNQEN-QGZVFWFLSA-N 294.329 3.505 30 20 CHED CCC(=O)c1cccc(NC(=O)C(C#N)(CC)CC)c1 528869287 ZUDTYJKLSDYSMF-UHFFFAOYSA-N 272.348 3.548 30 20 CHED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)o1 346814539 JLLKTDUFZKHDIA-UHFFFAOYSA-N 296.370 3.758 30 20 CHED Cc1cc(Cl)cc(C(=O)NCC(C)(C)CCC#N)c1 345916544 WVBSYNFFBGGYBO-UHFFFAOYSA-N 278.783 3.708 30 20 CHED C=CCOc1ccc(C(=O)Nc2scc(C)c2C#N)cc1 344895759 NZCHXNYZJBNJPY-UHFFFAOYSA-N 298.367 3.745 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1ccc(C#N)cc1 247178355 RVPVZLZAOMPGOZ-ZTFGCOKTSA-N 296.414 3.670 30 20 CHED CC(C)(CCC#N)CNC(=O)C[C@@H]1C[C@@H]1c1ccccc1 345990517 JFWRRLOWWMFSEQ-JKSUJKDBSA-N 284.403 3.626 30 20 CHED C=CC1CCN(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)CC1 521379074 AZDKIWNDDLZNGW-WFASDCNBSA-N 288.391 3.511 30 20 CHED CC(C)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 341869442 AJTAZFPLVKWDCW-CXAGYDPISA-N 256.393 3.960 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1cscn1)c1ccccc1 345978287 WUKKKNHXNJFAFX-UHFFFAOYSA-N 299.399 3.616 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CC[C@@H](C)CC 342366078 HZKCWWYVBPRVBL-AWEZNQCLSA-N 293.407 3.503 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(Cl)cc1O 342986270 YTQIMUNVWQOUNO-UHFFFAOYSA-N 297.782 3.747 30 20 CHED CCO[C@H](CCNc1cc(C)nc(C#N)c1)C1CCCC1 342816441 HUZITAWXJZOZGR-QGZVFWFLSA-N 287.407 3.659 30 20 CHED Cc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cn1 346464697 NWFNRLORQNDDBR-UHFFFAOYSA-N 293.370 3.565 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1nccn1-c1ccccc1 348331887 WOBFSZZXNZFXGL-GJZGRUSLSA-N 269.392 3.878 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cc(Cl)ccc2O)s1 255130048 SQJBCBCXWPYTPK-XQRVVYSFSA-N 289.743 3.875 30 20 CHED N#Cc1ccc(NCCc2cccs2)cc1Cl 61845857 NMFHXZLOWDFUKX-UHFFFAOYSA-N 262.765 3.928 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CSc2ccccc21 342736873 HOCCCBXFJVSWEU-AWEZNQCLSA-N 273.401 3.718 30 20 CHED C[C@H](CCC#N)CN1CCCn2c(cc3ccccc32)C1 602661673 HUNCJVGGXLLOJO-OAHLLOKOSA-N 281.403 3.787 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccc2ccoc12 449302333 UZUOBZVZSDHDRK-JKSUJKDBSA-N 271.360 3.504 30 20 CHED CC(C)Oc1cccc([C@@H](C)NCc2cccc(C#N)n2)c1 602514800 QLLISHNIOJSJNN-CQSZACIVSA-N 295.386 3.591 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccc(O)c(F)c1 255838050 KPYXSRVOHOZGTN-XQRVVYSFSA-N 286.302 3.744 30 20 CHED C[C@H]1C[C@H](CCNC(=O)NCCCCC#N)CC(C)(C)C1 444109347 MBBCFFLQEOWRLE-GJZGRUSLSA-N 293.455 3.832 30 20 CHED C=CCCCCCN(C)C(=O)NCCc1ccc(C)cc1 606981305 CQVIHSNPDDNUMR-UHFFFAOYSA-N 288.435 3.925 30 20 CHED CC[C@@H](F)CSCCCOc1cccc(C#N)c1 442538809 FQDKKUAOUHZOQG-CYBMUJFWSA-N 267.369 3.808 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1OC(C)C 604895536 VAYZZFMOCAPSGJ-ZIAGYGMSSA-N 290.407 3.799 30 20 CHED C=CCOCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 354602885 PSFGMXUMNZFHSC-HNNXBMFYSA-N 293.382 3.622 30 20 CHED CC[C@@H](CC#N)NC(=O)CCc1ccc(-c2ccccc2)o1 358063251 IXANXMNLKQENKZ-HNNXBMFYSA-N 296.370 3.688 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(COCC3CC3)c2)C1 442860188 RTHUXEUAAJKPHW-WMLDXEAASA-N 270.376 3.717 30 20 CHED CCC[C@@H](C#N)NC(=O)CCc1ccc(Cl)c(Cl)c1 608816406 NMNJRWQNEXLTKD-NSHDSACASA-N 299.201 3.734 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)C1CC1 536824053 ZTGJDQYZPBYSFF-GFCCVEGCSA-N 293.794 3.593 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 537624986 BGEOZYKMOCBHIQ-CYBMUJFWSA-N 262.422 3.878 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 352248869 DRTNFPFEAGNVJF-BLLLJJGKSA-N 288.366 3.635 30 20 CHED CCOCc1ccc(NCc2ccc(C#N)c(OC)c2)cc1 440817120 FMEMPNJGRQRPLP-UHFFFAOYSA-N 296.370 3.715 30 20 CHED N#CCc1ccnc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 535908556 ADRVPLGPIWXWJV-HRCADAONSA-N 297.402 3.693 30 20 CHED CC[C@H](C(=O)NCC(C)(C)CCC#N)c1ccccc1 359759612 VKIRGMXBTZWEFL-HNNXBMFYSA-N 272.392 3.626 30 20 CHED C=C(C)COc1cccc(NC(=O)Cc2cccnc2C)c1 352649118 HZAKLGONVJFBQG-UHFFFAOYSA-N 296.370 3.526 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CCCSC1)c1ccccc1 355173914 YOBZNBQYEQAVDO-HOTGVXAUSA-N 289.444 3.953 30 20 CHED Cc1cccc(CN(C)Cc2ccc(OCC#N)cc2)c1 264529149 CWHYGOHDJZWQKO-UHFFFAOYSA-N 280.371 3.529 30 20 CHED CC#CCN(C)C(=O)c1c(Cl)cc(Cl)cc1Cl 452554906 WBANFUKIQSPQGT-UHFFFAOYSA-N 290.577 3.742 30 20 CHED C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1cccc(C#N)c1 619781346 GAWYRCBTMBIRRD-PBHICJAKSA-N 284.403 3.701 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C#N)s1 531385733 MKUJNGBOIIFOEH-YPMHNXCESA-N 276.405 3.661 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H](c2cccc(F)c2)C1 266909981 KZFLXBBCKJNMQX-OAHLLOKOSA-N 274.383 3.945 30 20 CHED CC[C@H](CC(=O)N(CCC#N)CCC#N)c1ccc(C)cc1 265662713 RERDESDSRWSSTJ-MRXNPFEDSA-N 297.402 3.535 30 20 CHED N#CC1(CN(Cc2ccco2)Cc2ccco2)CCC1 450212840 TYVZOUWELKFXJL-UHFFFAOYSA-N 270.332 3.569 30 20 CHED C=CCC[C@H](CO)N[C@@H]1CCSc2cc(C)c(C)cc21 453359484 OVQXSDHFGTXAMQ-GDBMZVCRSA-N 291.460 3.757 30 20 CHED C=CCC(CC=C)C(=O)NCCc1csc(C(C)C)n1 268132886 AVLSIDSJGBMCSP-UHFFFAOYSA-N 292.448 3.694 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCCc2c(O)cccc21 361662499 QQJSPHBXMPHNOI-ZENOOKHLSA-N 259.393 3.960 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCC(F)(F)F 360646664 JPNYPZZSPYUWKG-AWEZNQCLSA-N 282.309 3.868 30 20 CHED C=CCC1(C(=O)N[C@H](C(C)C)[C@@H](CO)C(C)C)CCCC1 452908024 DCQNFIIQWGSZPS-JKSUJKDBSA-N 295.467 3.528 30 20 CHED Cc1nc2cc(C(=O)N(CCC#N)CCC(C)C)ccc2o1 279393738 ACHIGNICWYVKJF-UHFFFAOYSA-N 299.374 3.538 30 20 CHED Cc1cccc(C2(C(=O)N[C@H]3CCC[C@H]3C#N)CCCC2)c1 610498041 FZVRMCQPXQTFLW-RDJZCZTQSA-N 296.414 3.615 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(CCC(C)C)C2CC2)c1 456015217 YRNNYZHLFHSSKK-UHFFFAOYSA-N 285.391 3.909 30 20 CHED C[C@H]1C[C@@H](CNc2ccc(CC#N)cc2Cl)CCO1 453140163 XPNKFZROZPOBDI-AAEUAGOBSA-N 278.783 3.633 30 20 CHED CCc1ccccc1-c1noc(-c2ccc(C#N)c(C)n2)n1 545022151 GARROIPVXMMENX-UHFFFAOYSA-N 290.326 3.541 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCc3cc(F)ccc32)C1 617778302 CMHVRPAAEDFJHS-SUMWQHHRSA-N 287.378 3.670 30 20 CHED Cc1ccc2cccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c2n1 274303043 GLHWNHXOZVBHEU-SFHVURJKSA-N 295.386 3.601 30 20 CHED C=CCCOCCCCc1nc(-c2ccccc2C)no1 544932664 VWQCZRMCQDFALY-UHFFFAOYSA-N 286.375 3.960 30 20 CHED C=CC[C@H](C)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 453151823 WHZSOJJOCAJGLH-WFASDCNBSA-N 289.810 3.717 30 20 CHED COc1ccc(-c2noc(C3(C#N)CCCCC3)n2)cc1C 546502166 TZAVGAVTKJIAAC-UHFFFAOYSA-N 297.358 3.779 30 20 CHED N#Cc1ccc(N2Cc3ccccc3C(F)(F)C2)cc1 610915402 CAXFSLOHPDLUET-UHFFFAOYSA-N 270.282 3.670 30 20 CHED CCOc1ccc(Cl)cc1[C@@H](C)NCCCC#N 273300162 URLFOZZGZUSRDL-LLVKDONJSA-N 266.772 3.693 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccn(C(CC)CC)n2)C1 617782744 LWBFHKYKTHSBCQ-CQSZACIVSA-N 289.423 3.673 30 20 CHED CC(C)(C#N)CC(=O)NC(C)(C)c1cccc(Cl)c1 278395686 SNDHTEMXXAFPFP-UHFFFAOYSA-N 278.783 3.631 30 20 CHED C=CCOc1cccc(NC(=O)NC2(C(C)C)CC2)c1 454577868 LVRCRTRPBKWZNJ-UHFFFAOYSA-N 274.364 3.562 30 20 CHED N#CCCCC(=O)N[C@H]1C[C@@H]1c1cccc2ccccc12 360465725 FDSAOGIEVOENKQ-SJORKVTESA-N 278.355 3.506 30 20 CHED C=CCC(CC=C)c1nc(-c2cccc(C)n2)no1 274036479 ZATVQOLNVLMSOP-UHFFFAOYSA-N 255.321 3.676 30 20 CHED C=CCC[C@H](NCC[C@H]1CCO[C@@H](C)C1)C1CC1 541559054 KLIYUAXEMNVTIO-DZKIICNBSA-N 251.414 3.526 30 20 CHED Cc1ncc(-c2ccccc2)cc1NC(=O)CC(C)(C)C#N 278836743 VSRIZVAQYFHGNM-UHFFFAOYSA-N 293.370 3.935 30 20 CHED Cc1cc(Br)c(CN(C)[C@H](C)CC#N)s1 453566463 RZXRCSOIMZQALL-MRVPVSSYSA-N 287.226 3.553 30 20 CHED C[C@H]1C[C@H](CCNc2c(Cl)cccc2C#N)CCO1 543190407 YLADCCQUYNDFIY-NWDGAFQWSA-N 278.783 3.829 30 20 CHED Cc1c(Cl)cnc(NC[C@H](C)c2nccs2)c1C#N 273289691 KFCZJPQNHBDBAC-QMMMGPOBSA-N 292.795 3.587 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(OC)c1C 626754963 DNFKQJXBPZMZKL-UHFFFAOYSA-N 276.380 3.870 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C)cc1Cl)OCC 270130974 OXPZIWAOGAFIET-CQSZACIVSA-N 281.783 3.958 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2cccc(OCC#N)c2)C1 270040733 OFVWIYKBNYFLTD-CYBMUJFWSA-N 286.375 3.744 30 20 CHED C=CCN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C(C)(C)C 622945823 USVKBQXVDRZFIQ-QAPCUYQASA-N 271.404 3.993 30 20 CHED CC#CCCCC(=O)Nc1ccc(Br)c(F)c1 466657801 CKZIDRUJUDFFGH-UHFFFAOYSA-N 298.155 3.720 30 20 CHED CS[C@H](CNc1nc2c(cc1C#N)CCC2)C(C)(C)C 544065837 XBBPDFXGSFMNSQ-CQSZACIVSA-N 289.448 3.632 30 20 CHED Cc1ccccc1O[C@H](C)CNc1ccc(C#N)cc1F 463071373 QSBSGDZJQOBHOS-CYBMUJFWSA-N 284.334 3.885 30 20 CHED C=C[C@H](C)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 465115965 CCKDIQFXUNEZSV-OLTKYNOGSA-N 261.409 3.674 30 20 CHED C=CCCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 374649548 ZWQBGRQQETUWBC-CZUORRHYSA-N 273.376 3.571 30 20 CHED C=CCN(C)C(=O)c1coc2ccc(C(C)C)cc12 286468848 KRVYJQQLZDFILO-UHFFFAOYSA-N 257.333 3.814 30 20 CHED CC#CCCCC(=O)NCCc1ccc(C(C)(C)C)cc1 464563860 QOEZAAGLBONTNV-UHFFFAOYSA-N 285.431 3.836 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)C1CCCCC1 466384464 XJIBHDANAGSHTN-ZFWWWQNUSA-N 266.429 3.951 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C 466976408 VEEVZRUHZWQLNI-HNNXBMFYSA-N 274.408 3.991 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(C(C)=O)cc2)n1 551471073 ZCEPQCGFNGHKMI-UHFFFAOYSA-N 284.359 3.717 30 20 CHED CCCCOc1ccc(C(=O)N(C)[C@@H](C)C#N)c(Cl)c1 297657224 BLNIPFUQHNHYHT-NSHDSACASA-N 294.782 3.503 30 20 CHED Cc1ccc2ncc(C#N)c(N[C@H]3CCOC(C)(C)C3)c2c1 292084601 YCXBOIZMTGILFF-AWEZNQCLSA-N 295.386 3.784 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1cccc(C2CCC2)c1 557251150 WTNOFVFDXYOCCW-UHFFFAOYSA-N 291.354 3.782 30 20 CHED Cc1ccc(OC(F)F)c(C=NNCC2CCCC2)c1 808006016 OYQXBLMXQUMOBE-UHFFFAOYSA-N 282.334 3.710 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1cccc(C2CC2)c1 295469967 HVERXJWANVJXEL-GFCCVEGCSA-N 270.376 3.681 30 20 CHED Cc1ccc(CN(C)Cc2ccccc2C#N)cc1C 552537800 RPTALPMJWPLDGF-UHFFFAOYSA-N 264.372 3.807 30 20 CHED C=C(C)CN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 472431854 LLJPZCJIMFZKSL-QGZVFWFLSA-N 280.371 3.532 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCCC1(C)C 476271500 AOBOSYXVCMEGGS-OAHLLOKOSA-N 275.392 3.663 30 20 CHED CC[C@@H]1CCC1=NNc1ncnc2sc(C)c(C)c12 807948292 DBVDCYULZCNXTK-SNVBAGLBSA-N 274.393 3.896 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc3c(c2)ncn3C)co1 806558176 VCHHWOGSLJQWBR-ALCCZGGFSA-N 295.342 3.581 30 20 CHED Cc1nc(C(C)C)oc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 292194996 KGAGOMMDCJMEIK-LBPRGKRZSA-N 298.342 3.896 30 20 CHED C[C@@H](C#N)OCCSCCCc1ccccc1Cl 802753217 XOJJYLHSZUNSAG-LBPRGKRZSA-N 283.824 3.934 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccc(OC(F)F)cc1 299714807 RDANPWQWZGOZFH-GHMZBOCLSA-N 268.307 3.631 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(C)c(C)cc1Cl 297522157 WEOXCXKKGNNWPG-LLVKDONJSA-N 279.771 3.771 30 20 CHED C=CCN(C(=O)c1cc(C)n(CC)c1C)c1ccccc1 647741904 OUELRFSTPWIUNK-UHFFFAOYSA-N 282.387 3.958 30 20 CHED N#CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 700845072 KGBPBCTXXFNOKO-GPAKFWEMSA-N 288.778 3.505 30 20 CHED C#C[C@@H](NC(=O)CCC1CCC1)c1ccc(Cl)cc1F 804422127 KNVHJBRVEARUKK-OAHLLOKOSA-N 293.769 3.850 30 20 CHED Cc1cccc2c1N(C(=O)CC(C)(C)C#N)CC[C@H]2C 298013271 ZWFJGTFJZWNKMI-GFCCVEGCSA-N 270.376 3.775 30 20 CHED Cc1cc(OC(=O)c2coc(C3CC3)n2)c(C)c(C)c1C#N 809036306 KWIBPUJNTBMSNR-UHFFFAOYSA-N 296.326 3.568 30 20 CHED C=C(C)Cn1c(CC)nnc1N(C)[C@@H](C)c1cccs1 642726014 AHKHSZBFSMEXJI-LBPRGKRZSA-N 290.436 3.676 30 20 CHED CC(CCCCCCC(=O)O)=NN[C@H]1C[C@H]2CC[C@H]1C2 814893377 OLLLLPZSEIRMCL-KKUMJFAQSA-N 280.412 3.566 30 20 CHED N#Cc1ccc2c(c1)C(=NOC1CCCCC1)CC2 811648899 UGUUJJDWXBLUEG-UHFFFAOYSA-N 254.333 3.558 30 20 CHED N#Cc1cc(N[C@H](CC2CCC2)c2ccccc2)ncn1 567431878 HBEPYUDQXAYRLA-MRXNPFEDSA-N 278.359 3.692 30 20 CHED CCC(=NNc1cc(F)cc(OC)c1)c1ccco1 814870490 FJGZKAPKKSNSRB-UHFFFAOYSA-N 262.284 3.654 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccc(OC(C)C)cc1 562992899 NWVCYNXRMHBHBK-UHFFFAOYSA-N 289.419 3.735 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1ccc(Cl)s1 811666420 CNOIIDXBJGLNEJ-NSHDSACASA-N 294.807 3.793 30 20 CHED Clc1cccc(NN=Cc2nc3c(s2)CCC3)c1 814693315 JDIAGMWYVOMVJH-UHFFFAOYSA-N 277.780 3.731 30 20 CHED CC(C)(CC(=O)[C@H](C#N)c1cnc2ccccc2n1)C1CC1 816045532 OTDKWIOJGDHIMM-CYBMUJFWSA-N 293.370 3.632 30 20 CHED Cc1cc(F)ccc1C1CCN(c2ccc(C#N)nc2)CC1 488445780 SCKJRZOWOYNXHK-UHFFFAOYSA-N 295.361 3.785 30 20 CHED CCn1c(C(C)=NOC/C=C/Cl)nc2ccccc21 811669000 LLPUBSLBPAYKBZ-YGNMSSQISA-N 277.755 3.549 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCCC2CC2)c1 812974330 YIACFAFSPWQTQC-UHFFFAOYSA-N 255.361 3.601 30 20 CHED Fc1cc2nc(NN=C3CC[C@H]3C3CCC3)[nH]c2cc1F 814795604 BWIXATRQUHABMY-VIFPVBQESA-N 290.317 3.819 30 20 CHED Cc1sc2ncnc(NN=C3CCC[C@H](C#N)C3)c2c1C 814725803 CPEVCQDPJQYPCN-NSHDSACASA-N 299.403 3.790 30 20 CHED C=C(C)CNc1ccc(-n2ccc(C(F)(F)F)n2)cc1 811786799 XMRWBNBQAQWFBH-UHFFFAOYSA-N 281.281 3.879 30 20 CHED Cc1ccc(Nc2ccccc2C(=O)N[C@H](C)CC#N)cc1 579389709 KFDSRXNZTVEIJJ-CQSZACIVSA-N 293.370 3.771 30 20 CHED CC(CC1CCC1)=NN[C@@H](C)COc1ccccc1 811667831 DVWBNCBDFWOAHN-AWEZNQCLSA-N 260.381 3.610 30 20 CHED CC(C)C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 574443638 SHEZEKDTYAFJKR-GFCCVEGCSA-N 289.354 3.597 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)N(CCC#N)CC(C)C)C1(C)C 818032185 SVOUUULMDAJKMJ-LSDHHAIUSA-N 276.424 3.623 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1ccc2cc[nH]c2c1 728620660 OINWEBLDKHVCBQ-UHFFFAOYSA-N 294.285 3.536 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc2c(c1)C(=O)CCCC2 817689206 RMKFADKCZQQFJV-UHFFFAOYSA-N 283.371 3.584 30 20 CHED C#CC[C@H](Nc1nccc(C(C)(C)C)n1)c1ccccc1 814868300 OBNOFGSSZUMUDW-HNNXBMFYSA-N 279.387 3.951 30 20 CHED C[C@@H](C#N)CNN=C1CCCC[C@@H]1C1CCCCC1 814881885 ZTHXVZYIOVLZNA-DZGCQCFKSA-N 261.413 3.862 30 20 CHED Oc1ccc(C2CCC(=NN[C@@H]3CCSC3)CC2)cc1 814933044 BWTXZMHWFJFEJY-WPZCJLIBSA-N 290.432 3.501 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1cccnc1Cl 814917258 JEFSRTAOYXRZAJ-LBPRGKRZSA-N 265.788 3.627 30 20 CHED Cc1c(C(=O)N2C[C@H](C)C[C@@H]2C)sc2ccc(C#N)cc12 578677227 NQCZQDOXXPPBIP-MNOVXSKESA-N 298.411 3.952 30 20 CHED COc1ccc(C)cc1C=NNc1cccc([N+](=O)[O-])c1C 727973631 UGBVBKUMGAKTTL-UHFFFAOYSA-N 299.330 3.666 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C\CCC)c1 729366512 AJARLPKOLHELIC-POHAHGRESA-N 259.349 3.936 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2ccc(C3CC3)cc2)n1 576568915 FJCOEXLIAXMDFD-GFCCVEGCSA-N 278.359 3.707 30 20 CHED CCCCCCCCC(=O)Nn1cnc2ccccc21 827061920 WDTFNOUGOUSSTP-UHFFFAOYSA-N 273.380 3.857 30 20 CHED C=CCn1c(CC2CCCC2)nnc1N1CCC[C@@H]1CC 571484333 BLZPZJQELSSRLO-HNNXBMFYSA-N 288.439 3.576 30 20 CHED CN(CCCSCC#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 572320095 PMEFWTKFIRWRSU-TXEJJXNPSA-N 294.386 3.686 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)CCc2sccc21 726893817 SHHUPPVMPSFWDF-JLHYYAGUSA-N 282.364 3.896 30 20 CHED C=C(Cl)COC(=O)c1ccc(CN(CC)C(C)C)cc1 726055007 YHNLYSIDXAPSAQ-UHFFFAOYSA-N 295.810 3.826 30 20 CHED CC[C@H](C#N)OC(=O)CCCc1ccc(SC)cc1 829624687 NKBXNFVFDVCIJT-CYBMUJFWSA-N 277.389 3.577 30 20 CHED C=CCC1(c2nc(-c3cnc(C)cn3)no2)CCCCC1 665020812 QNSOBJJCPBELMJ-UHFFFAOYSA-N 284.363 3.613 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(C=O)cn1C 822697035 FTAKXGJCJIDWIA-UHFFFAOYSA-N 292.423 3.660 30 20 CHED C=CCC1(c2nc([C@@H](CC)OCC)no2)CCC1 665042033 KJAAXPVQFFJPJK-LLVKDONJSA-N 250.342 3.555 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1c2ccccc2O[C@@H]1C 664912605 LTMXPOHACQVQHU-IUODEOHRSA-N 288.391 3.553 30 20 CHED CCCN(CCc1cccc(F)c1)Cc1ccc(C#N)cn1 583507695 IGLJJPLJYFRKIX-UHFFFAOYSA-N 297.377 3.547 30 20 CHED C#Cc1cccc(NC(=O)CCc2ccccc2Cl)c1 25158146 NMSAEJYQGLQXQE-UHFFFAOYSA-N 283.758 3.893 30 20 CHED C=CCCNC(=O)Nc1ccc(OC(C)C)cc1Cl 666833008 UMNIQWCVXICHFR-UHFFFAOYSA-N 282.771 3.825 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 499820171 ANQMJOIKQVRNIZ-CBBWQLFWSA-N 287.403 3.931 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1coc2ccccc12 495223913 QJHAZROPPZQYTF-AWEZNQCLSA-N 284.359 3.683 30 20 CHED Cc1nn(C)c(/C=C2/CCCC(C)(C)C2=O)c1Cl 901483829 XLECKSYOUFWMKO-NTMALXAHSA-N 266.772 3.545 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1csc2ccccc12 732918620 QEWXTSLRKQMIHZ-OLZOCXBDSA-N 283.400 3.995 30 20 CHED Cc1cc(Cl)ccc1NC(=O)[C@H](C)ON=C1CCC1 735489928 KODFMWQOWGWNKJ-JTQLQIEISA-N 280.755 3.532 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(C#N)n2)CC1 589460136 DZPQAIYGNWYKTL-KGLIPLIRSA-N 299.418 3.678 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@]1(C)CC=CCC1 839321400 NBVIMDPRVALLHD-DYVFJYSZSA-N 284.359 3.662 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccccc31)CC2 589337165 MMASQYGYXSWGCZ-RTBURBONSA-N 274.367 3.823 30 20 CHED Clc1ccc(C2=CCC(=NN[C@H]3CCOC3)CC2)cc1 834978508 UTWJGVLWTMICBA-INIZCTEOSA-N 290.794 3.642 30 20 CHED Cc1csc(C(=O)OCCCCC(C)(C)C#N)c1 837764125 RWYKSRUYAFNBEJ-UHFFFAOYSA-N 265.378 3.933 30 20 CHED CN(C(=O)CCCCCC#N)c1cc(Cl)ccc1C#N 588939604 BYYUBYSWUQMDHE-UHFFFAOYSA-N 289.766 3.649 30 20 CHED CC[C@@H](OC(=O)COc1cccc(C#N)c1)c1ccccc1 733454119 BIVDNSGCEDPNCT-QGZVFWFLSA-N 295.338 3.632 30 20 CHED Cc1c(C(=O)N[C@](C)(C#N)C(C)C)oc2c(F)cccc12 585720552 IIIOUDWLSCQMPP-MRXNPFEDSA-N 288.322 3.548 30 20 CHED Cc1ccc(C(=O)OCCCCC2(C#N)CCC2)nc1C 909387019 LUDXFVPYZGEKKH-UHFFFAOYSA-N 286.375 3.719 30 20 CHED CC(C)CCCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C 838784455 QLPPOOSLJFQPOU-CQSZACIVSA-N 297.402 3.966 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2cncn2C(C)C)cc1 901479976 BHIONAXPFVSIFU-KHPPLWFESA-N 297.402 3.816 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1cccc(C2CC2)c1 834444493 FGUUSOPIPMKRHY-HJWRWDBZSA-N 266.344 3.502 30 20 CHED CN(Cc1cc2ccccc2o1)C(=O)CCCCCC#N 588160429 QDSNDUQVAJNRDW-UHFFFAOYSA-N 284.359 3.865 30 20 CHED CC(=NNc1ccc(C)cc1Cl)c1cnn(C)c1C 835010982 DEWBNBRJYNUBEF-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CCC#C[C@H](C)N[C@@H](C)c1ccccc1OC(F)F 678738178 ZIDPXMOUABGPLM-RYUDHWBXSA-N 267.319 3.741 30 20 CHED C#C[C@@H](NC(=O)Nc1cc(OCC)ccc1Cl)C(C)C 836718369 OOBNUUPVIARQAS-CYBMUJFWSA-N 294.782 3.518 30 20 CHED C=CCN(C(=O)c1cc(C)c(CC)s1)C(C)C 914683216 LMDREWFCWCBYNS-UHFFFAOYSA-N 251.395 3.656 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 700567077 FWOLKEPUQLEZBE-DGCLKSJQSA-N 295.835 3.739 30 20 CHED C=C(CC)CSc1nnc(-c2ccccc2F)o1 678612848 HTOVINNZLDTBPT-UHFFFAOYSA-N 264.325 3.934 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc(C2=CCCC2)cc1 594091987 QWEPNVXMTFOPLN-MRXNPFEDSA-N 268.360 3.628 30 20 CHED Cc1coc(-c2cccc(C3(C#N)CCOCC3)c2)c1 596640062 YDVZLQPLGVRBFN-UHFFFAOYSA-N 267.328 3.827 30 20 CHED COCc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 596752883 KLIFVDXPISPQLP-UHFFFAOYSA-N 286.375 3.636 30 20 CHED CCSc1ccc([C@@H](C)NC(=O)[C@@H](C#N)CC)cc1 593454044 UXAJQCBBBSJTPF-VXGBXAGGSA-N 276.405 3.526 30 20 CHED COc1ccc2c(c1)C[C@@H](C)N(C(=O)C#CC(C)(C)C)[C@@H]2C 837521573 CXXDFHYEMZRQLX-ZIAGYGMSSA-N 299.414 3.579 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc2cc(C)cc(C)c2o1 839294090 KHTLTKYHLCANBQ-UHFFFAOYSA-N 280.274 3.595 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1cccs1 915975420 HHGOECMHBGQGCV-UHFFFAOYSA-N 281.724 3.756 30 20 CHED CCSc1ccc([C@H](C)NC(=O)[C@@H](C#N)CC)cc1 593454042 UXAJQCBBBSJTPF-NWDGAFQWSA-N 276.405 3.526 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 598823122 BXGPUXPYEJKYQQ-XJIUQZFPSA-N 276.424 3.647 30 20 CHED C[C@@H]1CC(=NNc2nncc3ccccc23)C[C@@H](C)C1 747742921 CAAJPBIUPFOKBA-RYUDHWBXSA-N 268.364 3.854 30 20 CHED COc1ccc(O)c(/C=N\CCc2cc(C)cc(C)c2)c1 740763271 FBDZJTDVEHXUHQ-UNOMPAQXSA-N 283.371 3.679 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)o1 745624905 ORRXOEAZTLFCHY-XQHKEYJVSA-N 298.390 3.894 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2)C12CCCC2 743418841 LTPVOYJQJYITTQ-HNNXBMFYSA-N 258.365 3.824 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1ccccc1)C(C)C 746963731 VTOALLNCSYONMX-HNNXBMFYSA-N 260.381 3.744 30 20 CHED N#Cc1cccc(C(=O)COC(=O)C2CCCCCCC2)c1 748289986 JVAUZMNVJPFKCU-UHFFFAOYSA-N 299.370 3.645 30 20 CHED C[C@H]1CN([C@H](C)c2cccc(C#N)c2)CC2(CCCC2)O1 592194032 OFEBYPNDJJEDHD-LSDHHAIUSA-N 284.403 3.653 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ccc(S(C)(=O)=O)cc1 915960694 PBOHHRXYWHCBDK-LBPRGKRZSA-N 296.436 3.704 30 20 CHED C=C(CNCc1cn(C)nc1C(C)(C)C)c1ccccc1 678303770 XEDCIFFQTMUFHU-UHFFFAOYSA-N 283.419 3.521 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1(CC(C)C)CC1 596801886 UKCAJZXBITVQBO-UHFFFAOYSA-N 271.364 3.567 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1F 748997206 AXUIIXLPZCMYFJ-DJWKRKHSSA-N 291.709 3.779 30 20 CHED CCCc1cc(C(=O)OCC2(CC#N)CC2)sc1C 744275696 RMGKZHLAPASPRO-UHFFFAOYSA-N 277.389 3.860 30 20 CHED C[C@@H]1[C@@H](NC(=S)NN=C2CCCCC2)CCC[C@H]1C 916352678 UUKHLDGWVMRFFI-DYEKYZERSA-N 281.469 3.595 30 20 CHED CC(=NNCc1ccc(-c2ccccc2)cc1)[C@H]1CCOC1 748085798 NUEGMCBDSYQXLT-IBGZPJMESA-N 294.398 3.856 30 20 CHED Cc1ccncc1[C@@H](C)NC1CCC(C)(C#N)CC1 590647568 VAJIGCXAQQHUGI-VQCLRJIVSA-N 257.381 3.513 30 20 CHED CC[C@@H](C)NN=Cc1oc2ccccc2c1Br 848409062 KLGWRCLGEAOSJV-SECBINFHSA-N 295.180 3.917 30 20 CHED CC(=NN=C(CCc1ccccc1)C(C)C)c1cnccn1 745208555 ITUOWONRRPPWQN-UHFFFAOYSA-N 294.402 3.930 30 20 CHED N#CC1CCC(CNC(=O)C2[C@H]3CCCCCC[C@H]23)CC1 597616033 BNUZGLSXBLOLGQ-CKUJCDMFSA-N 288.435 3.649 30 20 CHED CCCn1nc(C)c(-c2cc3ccccc3nc2C#N)c1C 596640176 HBRURZISKKHADF-UHFFFAOYSA-N 290.370 3.997 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)c2cccc(OC)c2)c1 918030091 MHVVAVZDVWURRJ-CYBMUJFWSA-N 294.354 3.559 30 20 CHED C=C[C@@H](C)ONC(=O)CCCc1csc2ccccc12 846548414 TUVIUPPFDSTLNZ-GFCCVEGCSA-N 289.400 3.846 30 20 CHED C=CCOc1ccc(C=NNc2ccccc2)cc1OC 916245925 LVQDKIAAIKAYMO-UHFFFAOYSA-N 282.343 3.706 30 20 CHED COc1cccc2c(N3CCC[C@@H](CC#N)C3)c(C)cnc12 596330150 PKMPQADGTPJFBT-AWEZNQCLSA-N 295.386 3.682 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCN(C(C)C)C1 742840777 BARXSGSNRWVQMM-MRXNPFEDSA-N 282.472 3.584 30 20 CHED CCc1nc(C#N)cc(N2CC(C)(C)[C@H]2c2cccs2)n1 596002769 JQXNDHVCJAUTRY-OAHLLOKOSA-N 298.415 3.560 30 20 CHED C[C@@H]1CC2(CCOCC2)CN1c1cccc(Cl)c1C#N 591993966 SFJVVBJHXSBKNJ-GFCCVEGCSA-N 290.794 3.607 30 20 CHED CCC(CC)[C@H]1C[C@@H](Nc2nc(C#N)ccc2C)CCO1 596184600 CMCOEJTWNZSEFF-GOEBONIOSA-N 287.407 3.657 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ncc(C#N)cc1F)CC2 591146722 VLWQNIZBAJNLRS-OAHLLOKOSA-N 267.307 3.500 30 20 CHED Cc1cc(COC(=O)[C@H](C)Cc2ccc(C#N)cc2)cs1 847044722 QFBAUBGLWDHQRU-GFCCVEGCSA-N 299.395 3.850 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCCC[C@H]1SC 593228921 URSUIFBDBXZOTD-HUUCEWRRSA-N 299.480 3.540 30 20 CHED CC(=NN(C)[C@H](C)CO)c1ccc(Oc2ccccc2)cc1 842545015 YQPWYLXWSMGZKE-CQSZACIVSA-N 298.386 3.516 30 20 CHED C[C@@H](CC#N)C(=O)NCC1(Cc2ccccc2)CCCCC1 597524470 YVLAELTZPJBFPU-INIZCTEOSA-N 298.430 3.846 30 20 CHED C/C(=C/C(=O)N(C)c1cccc(C#N)c1)c1ccc(F)cc1 921284432 YRQQMWSIILSGKF-RAXLEYEMSA-N 294.329 3.764 30 20 CHED CC(C)(C#N)C[C@H](O)CNc1ccc(C2CCC2)cc1 598729339 IQUZRWDQMKRHSQ-INIZCTEOSA-N 272.392 3.667 30 20 CHED C=CCn1c(C)nn(CN2CCCCCCCC2)c1=S 840132594 COBYBWWLVXFNRQ-UHFFFAOYSA-N 294.468 3.522 30 20 CHED CCCC[C@H]1CCCC1=NN=C(C)c1cnccn1 745204247 YQGRWOBIJAGMJA-ZDUSSCGKSA-N 258.369 3.632 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C)c1ncccn1 929623921 FGFIZQPDKJVXBC-AWEZNQCLSA-N 259.397 3.606 30 20 CHED C=CCc1cc(CN(C)[C@H](C)C(C)C)c(O)c(OC)c1 754726585 RKRKUXDUWPPXKP-CYBMUJFWSA-N 277.408 3.606 30 20 CHED Cc1ccc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)c(O)c1 757475512 KXNLBDIXTVITAX-SOFGYWHQSA-N 284.359 3.617 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(N3CCCC3)c2)C1 851083130 FSVUMRFUCGRTQD-WMLDXEAASA-N 298.386 3.526 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCc2cc(O)ccc2C1 683722934 LYBSQUHRBWJPBW-JKSUJKDBSA-N 259.393 3.584 30 20 CHED C#Cc1cccc(NC(=O)NCc2ccc(Cl)c(C)c2)c1 755604323 PNKVUAIWOAWHKB-UHFFFAOYSA-N 298.773 3.951 30 20 CHED C#C[C@](C)(CC)NC(=O)CCCc1ccccc1Cl 854703913 GRHGAJFYZYDYFJ-MRXNPFEDSA-N 277.795 3.581 30 20 CHED Cc1cc(N(C)C)ccc1N[C@@H](C)CC(C)(C)C#N 925720376 GYCCWPAZKUMMKV-ZDUSSCGKSA-N 259.397 3.801 30 20 CHED COc1cc(C=NN2CCCC[C@H]2C)cc(Cl)c1OC 853381240 YRYJMAFLBNTKLB-LLVKDONJSA-N 296.798 3.566 30 20 CHED C=C[C@H](OC(=O)CCCCSC)c1ccccc1 851451187 FAZLXYFQMUVFBR-AWEZNQCLSA-N 264.390 3.990 30 20 CHED N#Cc1ccc(NC(=O)NC23CCC(CC2)C3)cc1Cl 752407314 JNHOQPUPEVKNIF-UHFFFAOYSA-N 289.766 3.666 30 20 CHED C#CCN(C(=O)N[C@H]1CCCC1(C)C)C1CCCCC1 750674327 FCQWQNOKYNLUOO-HNNXBMFYSA-N 276.424 3.543 30 20 CHED CCCCCCCNC(=O)NCc1nc(C)c(C)s1 858110271 AATIJPWAIPOMMC-UHFFFAOYSA-N 283.441 3.530 30 20 CHED CC(CC1CCC1)=NNc1ccc([N+](=O)[O-])cc1F 853396816 PSXFQPHDOUUJFX-UHFFFAOYSA-N 265.288 3.712 30 20 CHED C=CCC1(NC(=O)/C=C(\C)c2ccco2)CCCC1 855928740 XEAJMKACZYAQJS-OUKQBFOZSA-N 259.349 3.688 30 20 CHED C#CCCCN[C@H](c1cccnc1)c1ccc(F)c(C)c1 753662717 KFTNDNWWKDRRNA-SFHVURJKSA-N 282.362 3.622 30 20 CHED CC(CC1CC1)=NNC(=S)Nc1cccc(Cl)c1 756824243 ROQJQABHCURZKQ-UHFFFAOYSA-N 281.812 3.802 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C[C@H]2CCC[C@H](C)C2)o1 768364016 DSOJWTSSWADXQI-STQMWFEESA-N 288.395 3.969 30 20 CHED C=CCC[C@@H](Nc1ccc2c(c1)C[C@@H](OC)C2)C1CC1 760884881 JDKRDYQOITYZBZ-ZWKOTPCHSA-N 271.404 3.957 30 20 CHED CCOc1cccc(C(C)=NNc2cccc(C)n2)c1 863161947 MMPQKWHOKTZQKK-UHFFFAOYSA-N 269.348 3.625 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2nc(C)cs2)c1 860450729 YWBAAOHWBDUORT-ZNMIVQPWSA-N 296.395 3.740 30 20 CHED C=CCn1c(Sc2ncc(Cl)s2)nnc1C1CC1 764998563 GFBVXRVPXVYAQA-UHFFFAOYSA-N 298.824 3.603 30 20 CHED C=C(C)COc1cccc(N[C@@H](C)C[C@@H]2CCOC2)c1 768515365 BVASWDBWNGYHCZ-GJZGRUSLSA-N 275.392 3.869 30 20 CHED C=CCOC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 766618019 HYQUWNGDZYJWSC-LSDHHAIUSA-N 268.397 3.871 30 20 CHED C/C=C(/C=C/C(=O)OCc1ccccc1C#N)CC 767663328 LTIUCIALFPDYBU-BQDNQQQLSA-N 255.317 3.514 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2C(C)(F)F)CC1 931631703 NEHZRQWFKUCPDO-UHFFFAOYSA-N 280.318 3.982 30 20 CHED CCN(CCC#N)C(=O)C=C1CCC(C(C)(C)C)CC1 766729080 PMCPKQGGXAIKBD-UHFFFAOYSA-N 276.424 3.911 30 20 CHED CC(C)(O)CNN=C1CCC[C@@H](c2cccc(Cl)c2)C1 863136351 BVQMGKNJERJXCZ-CYBMUJFWSA-N 294.826 3.714 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1C#N 766486250 YWSNWXBNJSPPNO-VURMDHGXSA-N 265.287 3.902 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc(OC)cc1[N+](=O)[O-] 767802936 CBRHDSBSRQHOPR-SNVBAGLBSA-N 277.324 3.581 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1cc(F)cc(F)c1 1119968973 YREJRDHHHBEMEV-LLVKDONJSA-N 267.319 3.526 30 20 CHED CSc1ccccc1C(=O)OCc1ccc(CC#N)cc1 776115066 VUDGVMVEDZNFBG-UHFFFAOYSA-N 297.379 3.832 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1ccccc1F 776204627 VZJVVXNYTBCQDA-NSHDSACASA-N 266.385 3.857 30 20 CHED Cc1cccc(C)c1OCCC(=O)OCCC(C)(C)C#N 776373496 QHGNZMHJMZGQCI-UHFFFAOYSA-N 289.375 3.555 30 20 CHED CCC(=NNc1cccc(C#N)c1)c1ccccc1F 778538028 JRQXNJLZJIJDFD-UHFFFAOYSA-N 267.307 3.924 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3sccc3C)n2c1 771861095 UYETUNUGWVSWFO-PLNGDYQASA-N 282.368 3.909 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 779920449 JIIZETIDYWMWAS-HZPDHXFCSA-N 261.409 3.655 30 20 CHED CCn1c(C(C)=NOCCC(F)(F)F)nc2ccccc21 777461303 WTKXNEDLLLPZOO-UHFFFAOYSA-N 299.296 3.749 30 20 CHED C=CCCC[C@@H](C)NC(=O)/C=C\c1cccc(F)c1 775926528 YGCSSEOGJFAZSY-BSYHEUMXSA-N 261.340 3.700 30 20 CHED CCO[C@@H]1CC(=NOC2CCCCC2)C12CCC2 777459877 SGKPYFXJEGRXQF-CQSZACIVSA-N 251.370 3.671 30 20 CHED N#C[C@@H](OC(=O)c1ccc2[nH]ccc2c1)C1CCCCC1 776385371 DAYLZEDWHWOFJG-MRXNPFEDSA-N 282.343 3.797 30 20 CHED CON=C(C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C 772841059 NGGLHPVSETVRSZ-ZDUSSCGKSA-N 284.400 3.579 30 20 CHED COC1(CNc2nc3ccccc3cc2C#N)CCCCC1 772191256 NHOLMDPXCQIIKY-UHFFFAOYSA-N 295.386 3.868 30 20 CHED CC(C)CC1CCN(Cc2cc(C#N)cs2)CC1 770349060 DOSVRIASQOBLEH-UHFFFAOYSA-N 262.422 3.878 30 20 CHED N#Cc1ccc(C(=O)Oc2cccc(Cl)c2F)s1 774880329 VKZBHOLBQWKFLN-UHFFFAOYSA-N 281.695 3.631 30 20 CHED CCC[C@H](CC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1129977416 SEZBPWYSNNKWLH-YOEHRIQHSA-N 284.403 3.878 30 20 CHED C=C1CCC(C(=O)NCCCc2ccsc2)CC1 1121286678 LIMZSOIYSXLHAB-UHFFFAOYSA-N 263.406 3.543 30 20 CHED CC(=NNc1ccccc1F)c1cccc(F)c1F 776259604 LUHDPUCQSJVSSN-UHFFFAOYSA-N 264.250 3.940 30 20 CHED C=CCN(C(=O)Nc1ccccc1-c1ncco1)C(C)C 889027828 RKTLJXIJZANYJF-UHFFFAOYSA-N 285.347 3.770 30 20 CHED N#Cc1ccc(CNC2c3ccccc3-c3ccccc32)nc1 783301337 WGKXPHSOPKWYHP-UHFFFAOYSA-N 297.361 3.813 30 20 CHED N#Cc1ccc2c(c1)CCCC2=NNC1CCCCC1 786042409 VITJDMCWRXODJG-UHFFFAOYSA-N 267.376 3.521 30 20 CHED C[C@@H](CCC#N)Sc1nnc(-c2ccccc2)s1 789921755 YOTPACDIEOBDKC-JTQLQIEISA-N 275.402 3.989 30 20 CHED COc1ccc(C#N)cc1COC(=O)C1(C)CCCCC1 781266752 UVWHSRIFIXMWFK-UHFFFAOYSA-N 287.359 3.580 30 20 CHED C#CCC1(C(=O)Nc2ccccc2F)CCCCC1 788141363 GIPIQTNNERXXDT-UHFFFAOYSA-N 259.324 3.738 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(CC#N)c1ccccn1 892464181 FQAUSCAPBNMAPW-OAHLLOKOSA-N 287.407 3.935 30 20 CHED CCCCCCO[C@H](C)C(=O)Nc1cc(C#N)ccc1F 891454972 UONXRRYKJAYPLB-GFCCVEGCSA-N 292.354 3.621 30 20 CHED N#CC1(CCCC[S@](=O)Cc2ccccc2F)CCC1 899382136 XBLRSBWYRSDKEI-FQEVSTJZSA-N 293.407 3.939 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2cncc(Cl)n2)C1 783823953 JTYOADVVBZPFAS-WDEREUQCSA-N 266.776 3.744 30 20 CHED C=C1CC(c2noc(CN(C)CCCCCC)n2)C1 896885936 ZBSYKPCKQOMOBO-UHFFFAOYSA-N 263.385 3.515 30 20 CHED C=CCCCCCOC(=O)c1ccc(C(C)=O)cc1 782921738 XYEFZOZQXRFCCK-UHFFFAOYSA-N 260.333 3.792 30 20 CHED C=CCCCCCOC(=O)c1ccc2nccnc2c1 781871920 QTGSKBGBGYGIPV-UHFFFAOYSA-N 270.332 3.533 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)OCCC(C)(C)C#N)C1 780237322 ZAEKLZQWQFDXAD-ITGUQSILSA-N 251.370 3.542 30 20 CHED CCc1ccccc1CON=Cc1ccc(F)cc1 783553239 QSRXMXNWZWSNSV-UHFFFAOYSA-N 257.308 3.939 30 20 CHED C#Cc1ccc(NCc2cnc([C@H]3CCCO3)s2)cc1 898506072 RHIPWQNQQZVLFT-OAHLLOKOSA-N 284.384 3.588 30 20 CHED CC(=NNCCc1ccccn1)c1oc2ccccc2c1C 789125205 TYKNSLMJPLCYSM-UHFFFAOYSA-N 293.370 3.693 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CCCC(C)(C)C2)n1 1472807236 DNALKGUXFFBLSA-CYBMUJFWSA-N 257.381 3.890 30 20 CHED C#C[C@@H](NC(=O)C[C@H](CC)c1ccc(C)cc1)C(C)C 799044619 IRIPCMZCFGMIFA-DOTOQJQBSA-N 271.404 3.653 30 20 CHED CC(=NNc1ncccc1F)c1cccc(C)c1C 794994177 UNTLKPHODYFEDA-UHFFFAOYSA-N 257.312 3.674 30 20 CHED C#C[C@H](NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21)C(C)C 799048179 YQZGPZUKAPCOTO-ZOBUZTSGSA-N 283.415 3.750 30 20 CHED N#CCN(C[C@@H]1C[C@H]1c1ccccc1)C1CCCC1 93563265 INDAJIZOOJFJOA-RDJZCZTQSA-N 254.377 3.558 30 20 CHED CN(CCOc1cccc(Cl)c1)c1ccc(C#N)cc1 505738317 PXCQGXMAFQPXPG-UHFFFAOYSA-N 286.762 3.727 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1ccoc1C(C)C 796534281 YFDVQMUITYPWQF-UHFFFAOYSA-N 285.299 3.502 30 20 CHED C=C1CC(c2noc(-c3ccc(C)nc3C(C)C)n2)C1 896875602 IEPXVUWHSZXEMT-UHFFFAOYSA-N 269.348 3.997 30 20 CHED C=CCC1(C(=O)Nc2ccc3nc(S)[nH]c3c2)CCC1 790860420 BZCUSXSRRVDBEZ-UHFFFAOYSA-N 287.388 3.537 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](CC)c1ccccc1OC 798363676 CKAKOJGIPGNYHF-ZFWWWQNUSA-N 290.407 3.800 30 20 CHED CCCCCCCNc1cccc(C(=O)NC)c1C 59469199 IXAJVJWOGQVSTN-UHFFFAOYSA-N 262.397 3.737 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C(/C)Cc1ccccc1OC 798554555 RBZMEGFUYQEOQK-OMACXJQVSA-N 287.403 3.655 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2ccnc(F)c2)c1 794718642 CSBPDNDREBYWBT-VOTSOKGWSA-N 285.318 3.904 30 20 CHED CC[C@H](C)Oc1cc(C=NN[C@H](C)CC)ccc1OC 790183805 OHMNKCLGDBSPEM-OLZOCXBDSA-N 278.396 3.595 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C\c2cn(C)cn2)c1 794724952 VKFWEELVVOSNHO-FPLPWBNLSA-N 268.360 3.515 30 20 CHED COc1ccc(NN=C(C)[C@H](C)OC)c(C(F)(F)F)c1 793099783 XDKCIQHTFJQTMM-VIFPVBQESA-N 290.285 3.537 30 20 CHED Cc1cncc(CCC(=O)OCCCCC(C)(C)C#N)c1 796132385 XQYWOEGCCQYGMC-UHFFFAOYSA-N 288.391 3.586 30 20 CHED C[C@H](NN=Cc1csc(-c2ccccn2)n1)C(C)(C)C 793117551 XJIMFFZIWMRWIU-NSHDSACASA-N 288.420 3.563 30 20 CHED C[C@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 78833648 UHVOQTMMWWPRFK-ONGXEEELSA-N 283.297 3.963 30 20 CHED CC1(CNC(=O)Nc2cc(F)cc(C#N)c2)CCCCC1 1219799574 WNMJUDYGPSHCSE-UHFFFAOYSA-N 289.354 3.789 30 20 CHED CC(C)(C#N)CCCSc1ccc(S(C)(=O)=O)cc1 87609170 LUEFPSKILGQXCZ-UHFFFAOYSA-N 297.445 3.512 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C(=O)O)ccc1F 1231459644 FAYLFVGOSWHQOT-UHFFFAOYSA-N 299.345 3.712 30 20 CHED C=C(CNC(=O)NCC1(CC)CCCC1)c1ccccc1 1312292366 QPKTYSKVQYQATN-UHFFFAOYSA-N 286.419 3.969 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC23CCCCC3)c1 1310871235 BJELYVSJICGDIA-OAHLLOKOSA-N 283.375 3.711 30 20 CHED COc1cccc(CN2CCCc3cc(C#N)ccc32)c1C 1170661409 MKBWQVPWNKLHGR-UHFFFAOYSA-N 292.382 3.828 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2cc(OC)ccc2c1 1317827967 CAOHQNFJKNKZKW-UHFFFAOYSA-N 283.371 3.887 30 20 CHED CC(C)c1ocnc1CN1CCCc2cc(C#N)ccc21 1326758380 VUDUXXATNDHVAY-UHFFFAOYSA-N 281.359 3.622 30 20 CHED C#CCCCCc1nnc(COc2ccc(Cl)cc2)o1 1322130116 QNVCPFCECZBSEN-UHFFFAOYSA-N 290.750 3.648 30 20 CHED N#Cc1cc(-c2nnc([C@@H]3CCCCO3)o2)ccc1Cl 1326569275 VYTOACXMUFLZPC-LBPRGKRZSA-N 289.722 3.503 30 20 CHED Cc1cc(CN2CCCc3ccccc3CC2)ccc1C#N 1181818506 NLOUAUQZTHJVFN-UHFFFAOYSA-N 290.410 3.858 30 20 CHED CC(C)(NC(=O)CCCCCC#N)C1CCCCC1 1329480345 UPBABXNMVWXWKZ-UHFFFAOYSA-N 264.413 3.936 30 20 CHED CCCOc1cccc(COc2cccc(C#N)c2)c1 1188522270 LGEXRNQVHISBQR-UHFFFAOYSA-N 267.328 3.926 30 20 CHED C#CCCCCC(=O)Nc1ccccc1-c1nccs1 1339257717 IMGYYZZCZRESFI-UHFFFAOYSA-N 284.384 3.942 30 20 CHED N#CCc1cccc(N2CCC(c3ccc(F)cc3)CC2)n1 1335480451 CEBLNEJZHNMYKJ-UHFFFAOYSA-N 295.361 3.671 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 1349597304 WCYPGXFRYJUWAD-GJZGRUSLSA-N 296.418 3.682 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cc(-c3ccccc3)ccn2)C1 1263417599 JNOJDDMPEFOZFD-BBRMVZONSA-N 292.338 3.598 30 20 CHED CCCC1(c2nnc(-c3ccc(C#N)cc3)o2)CCC1 1349935785 XIGVBJFWSKOYSE-UHFFFAOYSA-N 267.332 3.830 30 20 CHED C#CC[C@@H](C)OC(=O)c1cncc(-c2ccc(Cl)cc2)c1 1343311990 JQDHSJCFOISJHL-GFCCVEGCSA-N 299.757 3.971 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1436351494 MCCYBMNPPMYIRX-FZMZJTMJSA-N 290.794 3.768 30 20 CHED CC(C)CC1(C)CCN(c2ncc(C#N)cc2F)CC1 1458414710 NPQXKDLUGVGZJU-UHFFFAOYSA-N 275.371 3.745 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@H]1c1cccn1C)c1ccccc1 1520753909 RDZOGHHSGSKVQH-AEFFLSMTSA-N 294.398 3.658 30 20 CHED N#Cc1ccc(CCSc2ncnc3ccsc23)cc1 1458881900 XDJKDZTVSZKGCG-UHFFFAOYSA-N 297.408 3.898 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ncc(C#N)cc1C 1525453625 VRXDWQALEKUAOY-JKSUJKDBSA-N 299.418 3.598 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)Cc1cccc(C#N)c1 111744043 DABVYCLZDJHWPQ-IAGOWNOFSA-N 256.393 3.959 30 20 CHED C[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)C1CCCCCC1 1469738393 BJVLUYMEVUYGJF-YOEHRIQHSA-N 291.439 3.681 30 20 CHED N#Cc1c[nH]c2cc(C(F)(F)F)cc(Br)c12 261508810 XDVJXSILMJMXRM-UHFFFAOYSA-N 289.054 3.821 30 20 CHED Cc1oc2ccccc2c1/C=C\C(=O)c1cc(C(=O)O)co1 1608054581 QCWSPVJGUYPNPW-SREVYHEPSA-N 296.278 3.929 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2cccc(Cl)c2)c1 1602549981 KEQCGLPDWNOLNA-SNAWJCMRSA-N 276.675 3.527 30 20 CHED N#Cc1cnc(N(Cc2ccc(F)cc2)CC2CC2)c(F)c1 1639477957 JZKVBOIPJNAYJK-UHFFFAOYSA-N 299.324 3.648 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cccc(C2CC2)c1 1568071546 VXKFDZZVMMUBDE-UHFFFAOYSA-N 291.354 3.730 30 20 CHED N#Cc1cc(F)cc(NCc2ccc3c(c2)CCCO3)c1 1560558563 BNRQWULOUKEXEW-UHFFFAOYSA-N 282.318 3.634 30 20 CHED C=CCCCCCN(C)C(=O)CC1(CC(=O)O)CCCC1 1573366964 QRQHQQCYIWNXLU-UHFFFAOYSA-N 295.423 3.616 30 20 CHED CC(=O)c1cc(F)ccc1OCCc1ccc(C#N)cc1 1643346238 CZWRCJUETFBAMN-UHFFFAOYSA-N 283.302 3.521 30 20 CHED CC[C@@H]1C[C@H]1Nc1c(Br)cccc1C#N 1642631361 HICORVIHGKGWMS-LDYMZIIASA-N 265.154 3.531 30 20 CHED N#Cc1ccc(COc2ccc(Cl)c(F)c2)s1 1641041827 ZNBSUCXPKPSFPW-UHFFFAOYSA-N 267.712 3.991 30 20 CHED CCc1nc2ccc(Nc3ncccc3C#N)cc2s1 1655606382 CLRAXIGTFKHPMT-UHFFFAOYSA-N 280.356 3.869 30 20 CHED N#Cc1ccc(CNCc2ccc(F)c3ccccc23)nc1 1656360744 LBFJSXKCHZSWIE-UHFFFAOYSA-N 291.329 3.535 30 20 CHED C[C@H]1CN(C(=O)c2ccc(C#N)cc2F)[C@@H]1c1ccccc1 1586989649 LQZATFMUHCDWNG-SJCJKPOMSA-N 294.329 3.531 30 20 CHED C=C(C)C[C@H](NCc1cccc(-c2ccccc2)c1)C(=O)O 1776137892 MOGLLTDSSIKTAP-SFHVURJKSA-N 295.382 3.863 30 20 CHED COc1cccc(O)c1/C=N/CC1(c2ccccc2)CC1 11115067 GQSXZUJFEMAWBO-XDHOZWIPSA-N 281.355 3.552 30 20 CHED N#CCc1ccc(NC(=O)/C=C/Sc2ccccc2)cc1 16495921 RWHYKUXFKBSUMR-ACCUITESSA-N 294.379 3.997 30 20 CHED C=CCCCN(C)C(=O)Nc1cnn(CCC(C)C)c1C 161959233 BIKDOEBUPCJJLY-UHFFFAOYSA-N 292.427 3.668 30 20 CHED CN(CCC(F)(F)F)Cc1ccc(C#N)cc1Cl 162915339 WTHIVBFSAIIBJH-UHFFFAOYSA-N 276.689 3.596 30 20 CHED CC(C)(C#N)CNCc1ccc(Cl)c(Cl)c1 164690400 KHHUEMRTLFFFDG-UHFFFAOYSA-N 257.164 3.633 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cnc(C(C)C)s1 151664636 BGLLBMSZVWKNCC-UHFFFAOYSA-N 293.436 3.859 30 20 CHED C=C[C@H](CC(=O)Nc1cccnc1OCC)c1ccccc1 152767571 IXLFVKICGOSCCJ-CQSZACIVSA-N 296.370 3.779 30 20 CHED N#Cc1c(F)cccc1SCc1ccc([N+](=O)[O-])cc1 159442375 XZKYSPAQVGLPIY-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2cccc(F)c21 159337537 AYTUKVHGYXUXAG-UHFFFAOYSA-N 273.351 3.873 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(N(C)C)cc1 810002029 QQZOJPWDCNNTSK-UHFFFAOYSA-N 266.344 3.512 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)Cc1cnn(C)c1 825045177 CEQXVMDXBLIKKH-GJZGRUSLSA-N 265.445 3.690 30 20 CHED CCc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1Cl 931392682 BBBFXSARDXHSSZ-LLVKDONJSA-N 291.782 3.670 30 20 CHED COc1cccc(SCc2ccc(C#N)cc2F)c1 19847591 RSAZCWQBZYKPAW-UHFFFAOYSA-N 273.332 3.998 30 20 CHED N#CC1(NC(=O)CC2CCCCCC2)CCCCC1 135808037 LGNBRPMEYUSJJI-UHFFFAOYSA-N 262.397 3.690 30 20 CHED C#Cc1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1 152239715 CKIFCUHVOJFJGW-UHFFFAOYSA-N 291.684 3.852 30 20 CHED C[C@H](N[C@@H]1CCCc2occc21)c1cccc(C#N)c1 37242123 HDULKJOKGXCFNZ-BLLLJJGKSA-N 266.344 3.879 30 20 CHED N#CCc1ccc(N[C@H]2CCc3ccccc3C2)cc1 37301945 DKBCIGKBUVOMAS-SFHVURJKSA-N 262.356 3.722 30 20 CHED CC(C)(C#N)CCN1CCC[C@H]1C[C@@H](O)c1cccs1 271989053 DGCMOGZIXFBWKG-UONOGXRCSA-N 292.448 3.576 30 20 CHED C=CCN(C(=O)c1cc(Cl)c2ccccc2n1)C1CC1 162213167 QLEFJZBSROQYEX-UHFFFAOYSA-N 286.762 3.679 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(F)c(C(F)(F)F)c1 43567168 HAOHSBMDIWFCLM-UHFFFAOYSA-N 289.272 3.883 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCC2)cc(C)c1Cl 283116419 XZOXGGFZQQLMDA-UHFFFAOYSA-N 262.740 3.589 30 20 CHED C[C@H](N[C@H](C)Cc1ccsc1)c1cccc(C#N)c1 49157071 TYUYKMGDJRYDQN-OLZOCXBDSA-N 270.401 3.902 30 20 CHED CCOc1ccccc1CN(C)c1ccc(C#N)cc1 301120362 ZXHFWYWSZGFSIH-UHFFFAOYSA-N 266.344 3.593 30 20 CHED CCSc1cccc(NCc2cc(C#N)n(C)c2)c1 191431656 IMQXKVZPUQCCCG-UHFFFAOYSA-N 271.389 3.621 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)cc1F 403985498 HFJDJBVHYDYCIO-GDBMZVCRSA-N 272.367 3.709 30 20 CHED CCc1occc1C(=O)Nc1ccc(C#N)c(Cl)c1 311339826 HRUQTWLJNOQDPQ-UHFFFAOYSA-N 274.707 3.619 30 20 CHED C=C(C)COCCNc1cc(C)c2ccccc2n1 311564054 AIOOTQOFHUZGCS-UHFFFAOYSA-N 256.349 3.548 30 20 CHED N#CCc1cccc(NC[C@H]2CCCCC2(F)F)c1 313429427 QMQBKQIAJBEBSH-CYBMUJFWSA-N 264.319 3.990 30 20 CHED N#CCc1cccc(NCc2cc(F)ccc2F)c1 313422125 DFYRCOFFHLYIOY-UHFFFAOYSA-N 258.271 3.643 30 20 CHED C[C@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)C(C)(C)C 434030827 JDOUIZBLLKRZEJ-CHWSQXEVSA-N 264.413 3.599 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 88298961 DNCMXHMZPRECSM-WDEREUQCSA-N 261.325 3.703 30 20 CHED C#C[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)C(C)(C)C 491264305 FTEPTIHENNHXGU-MCIGGMRASA-N 289.341 3.519 30 20 CHED C[C@@H]1CCCCC[C@@H]1Nc1cccc(OCC#N)c1 691073252 QQGIKTVWODSEHA-CJNGLKHVSA-N 258.365 3.970 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccncc1Cl 695722885 FTZOWYFMXLJBKP-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Cl)c(N)c(Cl)c1 393757862 JDGACMBUSJVJGK-VIFPVBQESA-N 287.190 3.660 30 20 CHED COc1cc(C=NNc2ccc(Cl)cc2)ccc1O 916246632 FRUJHXUWZUIWPZ-UHFFFAOYSA-N 276.723 3.500 30 20 CHED CON=Cc1ccc(-c2nc3ccccc3s2)o1 767491270 SHDHRVOZEGALLP-UHFFFAOYSA-N 258.302 3.537 30 20 CHED CC1(C)CCCN(C/C=C/c2ccccc2)[C@@H]1C#N 444723795 XFCQCFYULGXMFG-VGZDNEPHSA-N 254.377 3.714 30 20 CHED COc1ccccc1NC(=S)NN=C1CCCCCC1 6299251 KDSWRTVSDAUAPU-UHFFFAOYSA-N 291.420 3.692 30 20 CHED Cc1ncccc1/C=C1\CSc2c(F)cccc2C1=O 171419016 VQHWZZNVZQVBFU-XYOKQWHBSA-N 285.343 3.901 30 20 CHED C=CCN(CC=C)C(=O)Cc1coc2cc(C)c(C)cc12 53754326 JINGUFQAIHGKQU-UHFFFAOYSA-N 283.371 3.793 30 20 CHED C/C=C(\C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 176032268 UPRIIBKLTKNUET-ZFSPTPKQSA-N 274.389 3.843 30 20 CHED Cc1c(C#N)cccc1NCc1cccc([N+](=O)[O-])c1C 179055305 DYQZQTZXOZTFNC-UHFFFAOYSA-N 281.315 3.695 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2cccc(C)c2)o1 177611687 NHQDIRYTUSIRTH-VQHVLOKHSA-N 284.311 3.661 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 105717796 SQVFFYFNTXBQNA-LBPRGKRZSA-N 281.315 3.682 30 20 CHED N#CCCCOc1cccc(NC(=O)/C=C/c2ccco2)c1 55568401 ZYAIAOOVQOWLTJ-CMDGGOBGSA-N 296.326 3.614 30 20 CHED C=CCCCC(=O)N1CCc2sccc2[C@H]1CC 175567204 PXZDLULQZOIXHJ-CYBMUJFWSA-N 263.406 3.940 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)nn1C(CC)CC 179776046 UAEGIYBEBZRXSI-UHFFFAOYSA-N 277.412 3.591 30 20 CHED CC(C)C1(CNCc2ccc(N(C)CCC#N)cc2)CC1 175802675 XITHZDGXILQWSQ-UHFFFAOYSA-N 285.435 3.562 30 20 CHED CC(C)=CCCNc1ccc2cc(C#N)ccc2n1 302739920 YRIBAAGRVUILQC-UHFFFAOYSA-N 251.333 3.875 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC#N)cc1Oc1ccncc1 115915825 ICMHGMUDVDNTKD-ZDUSSCGKSA-N 296.326 3.641 30 20 CHED CN(CC1CCCCC1)C(=O)/C=C/c1ccccc1C#N 29291171 NBFWRPTWOYOMGF-VAWYXSNFSA-N 282.387 3.610 30 20 CHED CC(C)CC/C(N)=N/OCc1coc(-c2ccccc2)n1 66374423 JMAPNFLNMWOSLQ-UHFFFAOYSA-N 287.363 3.567 30 20 CHED C[C@@H](CC(=O)[C@@H](C#N)c1ccccn1)c1cccc(F)c1 116592232 SNZWACVRUAAXES-WFASDCNBSA-N 282.318 3.591 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@@H](C#N)c1ccccc1F 114327750 ZQCXINJDYXXXJL-LRDDRELGSA-N 288.366 3.723 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1ccc(CC#N)cc1 78472023 GGCXIKBZNFMUKG-UHFFFAOYSA-N 298.390 3.546 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1c(C)oc2ccccc12 410832892 FFMATPOUMGKXDF-GFCCVEGCSA-N 270.332 3.506 30 20 CHED CC[C@@H](CC#N)NC(=O)CCc1ccc(C(C)C)cc1 183868624 ABJYNTYCXTYWFP-INIZCTEOSA-N 272.392 3.551 30 20 CHED N#Cc1ccc2nc(NCc3ccccc3F)ccc2c1 301833870 VFEUPEZLWILRTL-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C[C@](O)(CNc1cc(Cl)ccc1C#N)c1cccs1 301360232 OJBWQSQRQFUWSK-AWEZNQCLSA-N 292.791 3.593 30 20 CHED C=CC1CCN(C(=O)[C@H](C)Sc2ccc(C)cc2)CC1 110360448 FJSPYCCMYQRSGN-AWEZNQCLSA-N 289.444 3.900 30 20 CHED C=C(C)CNc1ccc(C(=O)Nc2ccccc2)cc1 63889135 WAGBIGFHTMXKRD-UHFFFAOYSA-N 266.344 3.927 30 20 CHED CC(=O)Nc1ccc(C)cc1NCc1ccc(C#N)cc1F 171221251 SHIRZTPYEMCAOS-UHFFFAOYSA-N 297.333 3.576 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](CC)c1nc(C)cs1 181423301 VLYCYBVEOOYFNC-WCQYABFASA-N 295.452 3.947 30 20 CHED COc1cc(F)c(NCC(C)(C)CCC#N)cc1F 180863155 XBRKBXKNNDKNEX-UHFFFAOYSA-N 268.307 3.715 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](CC)OC1CCCC1 126217640 YIWPXRVQEXHRQT-HNNXBMFYSA-N 294.439 3.703 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(F)c(F)c1F 121793392 CWUPLBNTBMYPTI-UHFFFAOYSA-N 298.308 3.696 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 177869251 CBVMLJHVYPTSDK-RYUDHWBXSA-N 281.396 3.701 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1Br 473504087 OAUSDKVQUHCQLH-UHFFFAOYSA-N 297.196 3.927 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C)cc1 126260475 ZPTABURFJPRRMK-UHFFFAOYSA-N 258.365 3.587 30 20 CHED C=CCCC(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 186035080 RYTGDJCRWLNGAB-HNNXBMFYSA-N 265.303 3.664 30 20 CHED N#Cc1ccc(NCCCCCN2CCCCC2)cc1 301240336 JGEIRIHBMKPRJO-UHFFFAOYSA-N 271.408 3.626 30 20 CHED CC#CCCCC(=O)Nc1ccc(OCCC)cc1C 185243769 LMZDRHMKXXGNLU-UHFFFAOYSA-N 273.376 3.916 30 20 CHED Cc1sc2ncnc(OCc3cccc(C#N)c3)c2c1C 39562218 OJPMMHOHJJYDCB-UHFFFAOYSA-N 295.367 3.759 30 20 CHED CCc1nnc(N[C@H](C)c2cccs2)c(C#N)c1CC 124905039 KUMBYGAWGBFWMV-SNVBAGLBSA-N 286.404 3.708 30 20 CHED C#CCCCCC(=O)N1CCCc2c(Cl)ccc(F)c21 121135814 OWEIJCHUVVAQHK-UHFFFAOYSA-N 293.769 3.952 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(c2ccccc2C)CC1 187970898 BQYZUFQWUUPFQT-QGZVFWFLSA-N 271.404 3.745 30 20 CHED C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(C#N)cc1 31435518 RZHDPPPKTZSADO-CYBMUJFWSA-N 296.345 3.507 30 20 CHED Cc1cc2occ(C(=O)N(CCC#N)CC3CC3)c2cc1C 184404121 HWKZAHBZRGLSHJ-UHFFFAOYSA-N 296.370 3.816 30 20 CHED N#CCc1cccc(NC(=O)C(C2CCC2)C2CCC2)c1 313530538 ZHCPROXSRUVTSR-UHFFFAOYSA-N 282.387 3.908 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@@H](C)c1c(C)noc1C 182579787 WGTQTLNVZICTPY-VXGBXAGGSA-N 278.396 3.646 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@@H]1C=CCCC1 187871574 HPLPRPFYANZONG-OAHLLOKOSA-N 285.387 3.614 30 20 CHED CC#CCCCC(=O)NCc1ccccc1OCC(C)C 185248513 QNWMKBCTABAMEH-UHFFFAOYSA-N 287.403 3.531 30 20 CHED C[C@@H](C#N)OC(=O)CC1c2ccccc2Oc2ccccc21 31426834 FGFYOUJXUVSOQO-LBPRGKRZSA-N 293.322 3.770 30 20 CHED C=CCCCCCN1CCO[C@H](c2ccc(F)cc2)C1 486789745 UQMZQWKCHJAKLD-KRWDZBQOSA-N 277.383 3.945 30 20 CHED N#Cc1sc(NCc2ccc(F)c(F)c2)nc1Cl 236234981 UTMAMSGXMWMVKE-UHFFFAOYSA-N 285.706 3.558 30 20 CHED CCCCCCC(=O)Nc1ccccc1O[C@@H](C)C#N 182042303 IAYOPNHBMZDOAJ-ZDUSSCGKSA-N 274.364 3.886 30 20 CHED Cc1cc2cc(C(=O)OCC3(CC#N)CC3)oc2cc1C 124502083 GGCVFMPZDWWGEI-UHFFFAOYSA-N 283.327 3.900 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C/c2cc(F)ccc2C)c1 182270830 PXRBZAFVSBMVPU-VQHVLOKHSA-N 297.329 3.989 30 20 CHED COc1ccccc1CCCOc1ccc(C#N)cc1 503251713 BSFTVZZSWZCDRN-UHFFFAOYSA-N 267.328 3.578 30 20 CHED C=CC[C@H](Cc1ccccc1)NC1CCC(OC)CC1 414292198 BUUYTLGDXLMVSV-LXPRWKDFSA-N 273.420 3.721 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2F)cc(OC)c1 38150585 HTHTYBSSRYBPAE-FPLPWBNLSA-N 286.302 3.739 30 20 CHED Cc1ccc(Br)c(CN[C@H]2CC[C@@H](C#N)C2)c1 414271714 XFHYBXLNPJDVHN-YPMHNXCESA-N 293.208 3.539 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CC[C@H](C)c1ccccc1 410829747 SDMBCXFHSFPRSG-GOEBONIOSA-N 272.392 3.721 30 20 CHED C#C[C@H](C)NC(=O)c1ccc(SCc2ccccc2)cc1 186054254 ZHGJBLIRDALKCD-AWEZNQCLSA-N 295.407 3.730 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 413383959 CTCSNNJHCUUDCY-PHIMTYICSA-N 284.281 3.556 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CCC(C)(C)C1 508840603 LZSKPCDZCOAQGB-UHFFFAOYSA-N 296.418 3.676 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccnc(OC3CCCC3)c2)C1 185777221 XRHZMBMBUGLKDY-GOEBONIOSA-N 299.418 3.575 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCSc3ccccc32)C1 185753878 NACJMVGYJKKVHQ-GZBFAFLISA-N 272.417 3.895 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2cccc(Cl)c2)no1 188010429 DWGCGZUIUXILJB-OAHLLOKOSA-N 292.766 3.870 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)Cc1c(F)cccc1C#N 505108655 LPCNYHLYTLRYAN-CYBMUJFWSA-N 290.382 3.571 30 20 CHED CC1CCC(N(CCCCC#N)C[C@H]2CCCO2)CC1 75834124 MWTKEOMYMOSLME-OFLPRAFFSA-N 278.440 3.740 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)S[C@H](C)C1)c1ccccc1 136233975 KMIKJWCWIAUCTA-QLFBSQMISA-N 289.444 3.699 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCC2)cc1 131471729 FUDJGNHABZCZRF-BLLLJJGKSA-N 298.386 3.648 30 20 CHED N#Cc1ccc(SCc2sccc2Cl)nc1 505663430 RGEYMCOKEGTDIN-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 410123949 VBGHPXDTNKLQJE-OLZOCXBDSA-N 295.810 3.887 30 20 CHED CCc1cnccc1[C@H](C)/N=C(/O)CCC1CCOCC1 329169330 JOVRBJKGUVDNOF-ZDUSSCGKSA-N 290.407 3.868 30 20 CHED C=CCOc1cccc(NC(=O)N2[C@H](C)CC[C@H]2C)c1 135541776 PJKKOWDOVORKIU-CHWSQXEVSA-N 274.364 3.656 30 20 CHED Cn1ccc2cccc(N=C(O)[C@H](O)C3CCCCC3)c21 329961955 SKVDUSWQHPTMJJ-MRXNPFEDSA-N 286.375 3.708 30 20 CHED N#Cc1ccc(NC2CC2)c(N=C(O)CC2CCOCC2)c1 329104407 OBGGTMUPHSYVHH-UHFFFAOYSA-N 299.374 3.537 30 20 CHED CC1(/N=C(/O)c2cnc([C@@H]3CCCO3)s2)CCCC1 328851891 VHEMVYADQPKGSK-JTQLQIEISA-N 280.393 3.632 30 20 CHED CCC1(C/N=C(/O)[C@H]2CCCC(O)=N2)CCCCC1 329544365 FYNLJLITHYBRIC-GFCCVEGCSA-N 266.385 3.812 30 20 CHED Cc1ccc(CN[C@@H](CCC#N)c2ccccc2)nc1 130490478 XLPZDMUJKHBBCK-KRWDZBQOSA-N 265.360 3.525 30 20 CHED OC(CC[C@@H]1CCOC1)=Nc1ccc(C(F)(F)F)nc1 328873011 FBUGOVFDTXEWQC-SECBINFHSA-N 288.269 3.505 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCCc2ccccc21 424571165 UHEAPHJXPPEOBW-OAHLLOKOSA-N 271.404 3.825 30 20 CHED OC(=Nc1nncs1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 328999673 KTPVYZNLKUSCKP-OUAUKWLOSA-N 265.382 3.733 30 20 CHED C/C=C\c1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 516673431 SEWPBLGNSCVPMP-RQOWECAXSA-N 276.339 3.773 30 20 CHED C=CCC[C@H](NC(=O)CCc1cccnc1)c1ccccc1 134045640 MQOFTYVJOXEYJK-SFHVURJKSA-N 294.398 3.838 30 20 CHED C=CCCCCCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 518952748 VIMOCUGLXJJYHX-JKSUJKDBSA-N 263.425 3.766 30 20 CHED CCc1onc(C)c1N=C(O)c1coc(C2CCCC2)n1 328840828 ZGYADWOBDCLDPP-UHFFFAOYSA-N 289.335 3.827 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(C#N)c1 228996557 FKUAZJYOGFZVPU-UHFFFAOYSA-N 295.729 3.644 30 20 CHED C=C(C)CCNC(=O)[C@@H](CC)Cc1ccccc1C 424870314 UHTHCUCHHXCLDQ-HNNXBMFYSA-N 259.393 3.646 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1ccc(F)c(F)c1 133174335 XAUCZXBITTWQQN-FNORWQNLSA-N 284.265 3.509 30 20 CHED C/N=C(/O)C1(C(O)=Nc2ccc(F)c(C3CC3)c2)CC1 329857779 ZMUAUBHLXVGIRL-UHFFFAOYSA-N 276.311 3.658 30 20 CHED CCCOc1ccccc1OCCOc1cccc(C#N)c1 195577885 SRLRLAKYSRYUGK-UHFFFAOYSA-N 297.354 3.805 30 20 CHED Cc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1Cl 194157421 JOHLBSNIYJYORR-VOTSOKGWSA-N 274.751 3.586 30 20 CHED C=CCSCCNC(=O)c1ccc(SC(C)C)cc1 194478111 HNIQGKPPZXLRGJ-UHFFFAOYSA-N 295.473 3.836 30 20 CHED COc1cc(C#N)ccc1CNc1cccc2ccn(C)c12 190805467 DVFFNDOMFSODGB-UHFFFAOYSA-N 291.354 3.671 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)s1 41543967 LVUOVXLFCMYJMV-GFCCVEGCSA-N 296.351 3.996 30 20 CHED CCN(CC)CCCN(CC)[C@H](C)c1ccc(C#N)cc1 338236979 QCKHGMYBDSLPSB-MRXNPFEDSA-N 287.451 3.673 30 20 CHED CCCCN(CCCC)C(=O)NCC(C)(C)CCC#N 513124733 WACHDLNQQWAYIL-UHFFFAOYSA-N 281.444 3.928 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(C)cc1SC 424714272 CPPZWBPBRKKFBD-UHFFFAOYSA-N 277.433 3.935 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C 424717528 WMJFSVGKIHABLB-ZBFHGGJFSA-N 271.404 3.993 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1 193997224 RNGYFLPXSOMIIZ-UKRRQHHQSA-N 285.391 3.700 30 20 CHED C[C@@H](Cc1cccs1)N(C)CCC(C)(C)C#N 93268083 WZDFHSUSUJVZDP-LBPRGKRZSA-N 250.411 3.551 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCCC2 332657054 AAGCVIDWVATPEJ-LJQANCHMSA-N 298.430 3.552 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](C)Cc1cccs1 424680686 FGUQXGBCYBEJSI-GFCCVEGCSA-N 265.422 3.645 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CCCC[C@@H]1C 334573866 WPRXHFYXPHNWAX-XHDPSFHLSA-N 274.364 3.501 30 20 CHED C=C(C)[C@H](CC(=O)N1CC[C@H](C)c2ccccc21)OCC 339207704 BPTNSNZZFNOVQY-YOEHRIQHSA-N 287.403 3.898 30 20 CHED N#CCc1ccc(NCc2cc3c(F)cccc3[nH]2)cc1 436273329 JSEZKSNIJCOXCB-UHFFFAOYSA-N 279.318 3.985 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)CCC(C)C)cc1 514768545 CGUOBIBKUOGQER-MRXNPFEDSA-N 272.392 3.708 30 20 CHED N#Cc1cccc(OCc2ccc(F)c(Cl)c2)c1 230400480 GOJOOLNGYHASTL-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC1(C)CCC(c2noc(-c3ccc(C#N)cn3)n2)CC1 232837673 GEKJWMFDJDBHIB-UHFFFAOYSA-N 282.347 3.687 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)C1CC(C)(C)C1 332457764 IDHQAGXNSWYRMS-UHFFFAOYSA-N 271.364 3.519 30 20 CHED N#C[C@@H]1CC[C@H](NCCCc2c[nH]c3ccc(F)cc23)C1 337385899 CXWLSMYWTWGUNS-DOMZBBRYSA-N 285.366 3.521 30 20 CHED C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)CC#N)C1 336413189 KFCUUXMDYLWQGB-MFKMUULPSA-N 296.292 3.529 30 20 CHED Cc1ccc(C#N)c(N2CC[C@@H](c3ccccc3)[C@H]2C)n1 245759924 PUVWDYIDFLWIGQ-RHSMWYFYSA-N 277.371 3.644 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)Cc1cccs1 432095711 BUROWNMISVJFOM-GFCCVEGCSA-N 280.437 3.581 30 20 CHED CC[C@H](CCc1ccccc1)N[C@H]1CC[C@H](C#N)C1 527890290 HHEAZZUSSICZFQ-BBWFWOEESA-N 256.393 3.680 30 20 CHED C[C@H](CN(C)C(=O)c1ccc(F)c(C#N)c1)c1ccccc1 340744417 ORIATBOHGVSNRO-CYBMUJFWSA-N 296.345 3.573 30 20 CHED Cn1ncc(NCc2ccc(C#N)s2)c1-c1ccccc1 342238044 XHPHXOWUXGERNE-UHFFFAOYSA-N 294.383 3.632 30 20 CHED C=C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 521443153 LMGUATCTOIELSL-UHFFFAOYSA-N 265.356 3.561 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1ccncc1F 340240644 UWFWQAMSYDGTCO-CYBMUJFWSA-N 286.350 3.636 30 20 CHED N#CC1(CN2CCC(Cc3ccc(F)c(F)c3)CC2)CC1 346094771 ZXQBWRHUOTVXDX-UHFFFAOYSA-N 290.357 3.523 30 20 CHED CCN(CC#Cc1ccc(F)cc1)[C@H](C)c1cccc(O)c1 438127567 MHKFVLUPDVPZQP-OAHLLOKOSA-N 297.373 3.966 30 20 CHED CCc1ccc(-c2ccc(CNCCCC#N)o2)cc1 344331873 XQPHWWMAEQXNCY-UHFFFAOYSA-N 268.360 3.902 30 20 CHED CC(F)(F)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 431671991 WOOVBIPKVQEDCE-UHFFFAOYSA-N 286.281 3.922 30 20 CHED CC1(C#N)CN(Cc2sc3ccccc3c2Cl)C1 619569415 VYRJLKAHIXOAFB-UHFFFAOYSA-N 276.792 3.900 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc2c(C)c(C)ccc2[nH]1 435732662 RFBFXRIODQBHCX-DNVCBOLYSA-N 298.430 3.856 30 20 CHED Cc1ccc2nc(NC(=O)c3cc(C#N)oc3C)sc2c1 435700799 KVLVZCCIBAEAIA-UHFFFAOYSA-N 297.339 3.630 30 20 CHED C[C@@]1(F)CCN(c2cc(C#N)ccc2C(F)(F)F)C1 346254621 PGNZRICZFMELKR-GFCCVEGCSA-N 272.245 3.515 30 20 CHED CCC(C#N)(CC)C(=O)N1CCc2c(Cl)cccc21 528819981 ZIFNCSODXHPSHI-UHFFFAOYSA-N 276.767 3.559 30 20 CHED C=CCCCCCN(C)C(=O)CCCc1ccccn1 606815682 UANXENBXMHVCLS-UHFFFAOYSA-N 274.408 3.609 30 20 CHED COc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 343842536 SWWCRYWURZKXAN-AWEZNQCLSA-N 280.371 3.612 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(-n2cccn2)cc1 343304360 OSHRRXPDNDGMSM-AWEZNQCLSA-N 298.390 3.739 30 20 CHED C[C@H](CCC#N)CN1CC[C@@H](c2ccccc2)[C@H]1C 602476472 OMTKQDSEMKMVHS-BFYDXBDKSA-N 256.393 3.804 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)C1C(C)(C)C1(C)C 436297842 WXQWPSOYFFHYGZ-MJBXVCDLSA-N 265.441 3.628 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 609974627 UQPUKWBDJYNAIS-WMLDXEAASA-N 284.403 3.528 30 20 CHED C=C(CNC(=O)Nc1nc(C2CC2)cs1)c1ccccc1 348182694 WODWYIBFGYJDSS-UHFFFAOYSA-N 299.399 3.855 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@H](Cc3ccccc3)C2)c1 525637095 YULFCOINYSIOOQ-QGZVFWFLSA-N 294.373 3.762 30 20 CHED CCCN(C(=O)CC(C)(C)C#N)c1ccccc1F 602380727 WUOWXRWWOJLGBK-UHFFFAOYSA-N 262.328 3.509 30 20 CHED N#CCOc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 252404599 CWPNKSOKUOMMAG-CAXGVCPASA-N 282.387 3.826 30 20 CHED CCc1cc(C#N)ccc1OCc1c(CC)noc1C 442093974 SOBKZQSYPGPGHN-UHFFFAOYSA-N 270.332 3.559 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N(C2CC2)C2(C#N)CCC2)c1 602314791 HWEHQYCSBDQAEX-DLBZAZTESA-N 294.398 3.536 30 20 CHED Cc1ccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)cc1 353511127 BMLBNNKLLDURSM-GOSISDBHSA-N 292.382 3.699 30 20 CHED CCn1nccc1/C=C\C(=O)c1cc(C)c(C)cc1C 254969382 CWOAAOSASPXEMF-SREVYHEPSA-N 268.360 3.724 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](CC(C)C)c1ccccc1 359370525 BWDGYLPXIZSVHV-QGZVFWFLSA-N 284.403 3.745 30 20 CHED CCCN(Cc1ccc(F)cc1)Cc1cccc(C#N)n1 602444793 QAXRLSIBOWYLBF-UHFFFAOYSA-N 283.350 3.505 30 20 CHED C=CCOCCCSCc1cc(C#N)ccc1F 359122689 HAQKBKIXHKCQDO-UHFFFAOYSA-N 265.353 3.523 30 20 CHED CC1CC(C#N)(C(=O)NCC2CCC(C(C)(C)C)CC2)C1 532504079 LBNGAHYDTOPYLG-UHFFFAOYSA-N 290.451 3.895 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1CCC[C@H]1C)c1ccccc1 534628767 RADOKIGZJZOHDM-BFYDXBDKSA-N 271.404 3.899 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@H]2c2cccc(OCC)c2)CC1 356696354 IKEAXELHSYXZQH-IRXDYDNUSA-N 299.414 3.804 30 20 CHED CCN(CCNC1CCC(C)(C#N)CC1)c1ccccc1C 449081541 GBOJSALIFOWAPE-UHFFFAOYSA-N 299.462 3.883 30 20 CHED COc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CCC2 267127183 VDPONBWTXNZOQM-IBGZPJMESA-N 292.382 3.734 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(-c2ccccc2)o1 539300169 UFGUMGITVPJPRK-GJZGRUSLSA-N 285.387 3.782 30 20 CHED C=CCC1(NC(=O)[C@H](C)Oc2ccc(F)cc2)CCCC1 619107051 YWYUCQTYTGCSKX-ZDUSSCGKSA-N 291.366 3.598 30 20 CHED C=C[C@@H](C)NC(=O)c1cccn1[C@@H](C)Cc1ccccc1 358494438 FTEJNEPVCBTNBB-CABCVRRESA-N 282.387 3.596 30 20 CHED Cc1nc2cc(NCc3ccc(C#N)cc3F)ccc2n1C 533308929 PECQFUYLQUISHA-UHFFFAOYSA-N 294.333 3.505 30 20 CHED CC(C)CCCC(=O)N[C@H](C#N)c1ccccc1Cl 448983617 OJJMQJNSKUPZNJ-CQSZACIVSA-N 278.783 3.847 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccc(C)cn2)CCCC1(C)C 444954934 SFNZDPANVHYVNZ-AWEZNQCLSA-N 287.407 3.989 30 20 CHED CN(CC(C)(C)C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 263735674 HSQVZKWOQFXYLR-UHFFFAOYSA-N 287.407 3.998 30 20 CHED CC(C)(C#N)CNC(=O)C(C)(C)c1ccc2ccccc2c1 611689708 MGPDZDRFRFTBQD-UHFFFAOYSA-N 294.398 3.783 30 20 CHED C=C(C)CCNC(=O)Nc1cc(F)cc(Cl)c1 454995684 NKRWSZVWYDTYAM-UHFFFAOYSA-N 256.708 3.567 30 20 CHED Cc1nc(C)c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 618803293 HWDXARNZOQLEND-ZBEGNZNMSA-N 297.427 3.970 30 20 CHED C[C@H]1CCc2c(sc(NC(=O)[C@H]3CC3(C)C)c2C#N)C1 533574966 FGPBBQFTOBNSPG-JOYOIKCWSA-N 288.416 3.729 30 20 CHED CC[C@H](NC[C@]1(C)CCCC[C@H]1O)c1ccc(C#N)cc1 447588714 WAAKCPIQATUDHI-KSZLIROESA-N 286.419 3.540 30 20 CHED C[C@H](N[C@H]1CC[C@H](C)CC1)c1ccc(C#N)c(F)c1 538508876 JSOGZBSYEKYJON-HUBLWGQQSA-N 260.356 3.927 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1-n1cccn1 539446384 LVJGMIGBCZLMON-CQSZACIVSA-N 298.390 3.739 30 20 CHED C=C[C@H](CC(=O)N[C@H](CC)C1CC1)c1ccccc1 618869307 ARMSHOXLTAVAQS-CZUORRHYSA-N 257.377 3.651 30 20 CHED C=CCCNC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 617616776 GYADISUSXAOLQR-CVEARBPZSA-N 281.440 3.834 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N1CCC[C@](C)(C#N)C1 612370359 ZSAOOGDVJSAGLI-NVXWUHKLSA-N 276.424 3.745 30 20 CHED CC(C)[C@H](C)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 269747363 YYAIZFHQFKVYKT-HOCLYGCPSA-N 287.407 3.717 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CCOC2)cc1 268885592 YXJWOTXUFMYWDG-KBPBESRZSA-N 295.810 3.505 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 611465846 RXWAKHTZRSRFQF-NXEZZACHSA-N 287.338 3.714 30 20 CHED C[C@H](NCC#N)c1ccccc1Oc1ccccc1 538155417 LTQRNKPPQOGMFY-ZDUSSCGKSA-N 252.317 3.653 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2ccsc2)CCCC1 619108009 MVQKNSBYYNZYSH-GFCCVEGCSA-N 263.406 3.857 30 20 CHED C=CC1CCN(C(=O)Nc2cnn([C@H](C)CC)c2C)CC1 362315792 ANJCTXDRIARHBO-GFCCVEGCSA-N 290.411 3.592 30 20 CHED CC(C)CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 610357529 ODONIDPETIJITO-KGLIPLIRSA-N 287.407 3.743 30 20 CHED Cc1cc(C#N)ccc1CN(CC1CCC1)CC1CC1 619516759 RGCMUBVSBBIKJC-UHFFFAOYSA-N 268.404 3.879 30 20 CHED C=C(CC)CNC(=O)Nc1cc2[nH]ccc2cc1C 455225817 MQYVACKKHHKYNF-UHFFFAOYSA-N 257.337 3.564 30 20 CHED Cc1ccc(CCC(=O)N[C@H](C#N)C(C)(C)C)cc1Cl 610659389 BZROCWCSBDPNNL-CQSZACIVSA-N 292.810 3.636 30 20 CHED CC(C)(CC#N)CN[C@H]1CC[C@@H](Cc2ccccc2)C1 459730417 MBKRUVBPNKYSFV-IRXDYDNUSA-N 270.420 3.927 30 20 CHED Cc1cc(-c2csc(NC(=O)CCCC#N)n2)c(C)o1 360025571 RHYWKFPNRILYCL-UHFFFAOYSA-N 289.360 3.652 30 20 CHED N#Cc1cc(NCc2ccc(F)cn2)ccc1C(F)(F)F 361708688 PGPOKFCMGAKJIW-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C[C@H]1[C@H](C(F)(F)F)CCCN1CCC(C)(C)C#N 548496966 YYCAUKAVFXCMCN-WDEREUQCSA-N 262.319 3.589 30 20 CHED CCC(CC)CN(CC)C(=O)c1ccc(F)c(C#N)c1 278765952 GFJAPOMGQLSUKX-UHFFFAOYSA-N 276.355 3.596 30 20 CHED C[C@@H](NCCCC#N)[C@@H](C)c1nc2ccccc2s1 273210485 KFCUCSAJXZNZSX-VXGBXAGGSA-N 273.405 3.682 30 20 CHED C=CCC1(C(=O)N[C@H](C)[C@H]2COc3ccccc32)CCCC1 450229899 DYDVNWIXKSVNDS-GDBMZVCRSA-N 299.414 3.804 30 20 CHED CO[C@@H]1CCC[C@@H]1CN[C@H]1CCCCc2cc(C#N)ccc21 360650886 YXQLMGNZMDCFID-NZSAHSFTSA-N 298.430 3.730 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C)c(OCC(F)F)c1 454701953 XORWFBZDACWJTP-UHFFFAOYSA-N 298.333 3.727 30 20 CHED C=CCC[C@@H](NCCc1ccc(F)c(F)c1F)C1CC1 542496857 JTTIUNWVSAKCBH-CQSZACIVSA-N 283.337 3.981 30 20 CHED C[C@H](NCc1ccc(CC#N)cc1)c1c(F)cccc1F 543183118 JLZIZYGBFDFCFP-LBPRGKRZSA-N 286.325 3.882 30 20 CHED C=CCCOCC(=O)N(CC)[C@@H](CC)c1ccccc1 620327809 CUCPDVVCWNLVNP-INIZCTEOSA-N 275.392 3.579 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](CCc1ccccc1)C(F)F 628765861 QJIKZTUQELFJPH-CQSZACIVSA-N 295.373 3.971 30 20 CHED C=C[C@](C)(CC)C(=O)N(CC)Cc1cccc(F)c1 466364113 LYIZRYFXUCHZID-MRXNPFEDSA-N 263.356 3.777 30 20 CHED C=CCCN1CCC[C@@H](Cc2ccc(OC)cc2)C1 549350243 QRJMNXAWEUAHDG-INIZCTEOSA-N 259.393 3.526 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 378400407 JDBPHPJFMLOXOA-QGZVFWFLSA-N 287.378 3.553 30 20 CHED C=C[C@@H](C)NC(=O)c1csc(-c2ccc(C)cc2C)n1 465112462 OYXOPDONGSMBPY-GFCCVEGCSA-N 286.400 3.731 30 20 CHED N#CCc1ccc(CNc2cccc3cc[nH]c23)cc1 547489301 RUZUHMHNEAHYMD-UHFFFAOYSA-N 261.328 3.846 30 20 CHED C=CCC[C@H](NCCC(=O)Nc1ccccc1)c1ccco1 286339465 YGRRGKKEETYKEE-INIZCTEOSA-N 298.386 3.905 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)C(F)(F)F 462822045 NJCZAXKPAOCLRF-KKUMJFAQSA-N 299.336 3.861 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(NCC3CC3)c2c1 558755476 MCIHJXJMNFXXCV-UHFFFAOYSA-N 271.751 3.890 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](CO)Cc1ccccc1C 467382085 NPYVEDCMWZSACK-QZTJIDSGSA-N 275.436 3.623 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCCCC(C)(C)C1 460553617 QSTGTQPOSSGNLR-UHFFFAOYSA-N 290.455 3.994 30 20 CHED CC(C)CC[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 552051010 BREYKJJQSGTAQT-MRXNPFEDSA-N 299.462 3.941 30 20 CHED CCCNc1ccc(C#N)cc1NCc1nc(C)cs1 285312855 WXWODRKXNGAILD-UHFFFAOYSA-N 286.404 3.757 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(C2CCCCC2)c1C 280985591 BTAGPRYPRUABLX-AWEZNQCLSA-N 289.423 3.781 30 20 CHED C=CCC[C@@H](NCc1ccc2c(c1)OCCO2)c1ccco1 285775532 TUSKEUDTFKWYBK-OAHLLOKOSA-N 299.370 3.848 30 20 CHED CN(Cc1cccc2ccccc12)[C@@H]1CC[C@H](C#N)C1 555314730 NJYHONBOOVXFFC-WMLDXEAASA-N 264.372 3.964 30 20 CHED C=CCCN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC 556881347 OJTGQJDHLUXBPY-ZACQAIPSSA-N 259.393 3.503 30 20 CHED CC[C@@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(C)cc1 464713223 RBJXWOVVHNJNDN-HOCLYGCPSA-N 286.419 3.933 30 20 CHED Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)sn1 281414996 ICBBMOXLNRKDTL-UHFFFAOYSA-N 285.372 3.505 30 20 CHED Cc1csc(NC(=O)c2ccc(C(C)C)nc2)c1C#N 288898618 SUKFHPTYVVTAKD-UHFFFAOYSA-N 285.372 3.699 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)cc1)c1cccc(C#N)c1 462287693 DOFUIDHBOSJKRC-LLVKDONJSA-N 284.746 3.954 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 550105499 JWGOCGWZAACGMW-RXABAKJHSA-N 298.430 3.620 30 20 CHED C=CCN(Cc1cnc([C@H](C)O)s1)CC1CCCCC1 289015411 AIYMOXQDMRRKLL-ZDUSSCGKSA-N 294.464 3.765 30 20 CHED CCO[C@H](CNc1snc(C)c1C#N)c1ccccc1 286151175 APAZCGPPLNXSLD-CQSZACIVSA-N 287.388 3.513 30 20 CHED C=CC[C@@H](C)NC(=O)CC(C)(C)CC(=O)c1ccccc1 282551305 YWURSYKERRFMLJ-CQSZACIVSA-N 287.403 3.757 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 557020806 SMGUOCJTUIWFDL-DZGCQCFKSA-N 299.418 3.549 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2c(C)c(F)ccc2s1 285729108 QSJDKIMAYLYVSR-AWEZNQCLSA-N 291.351 3.622 30 20 CHED CC(C)N(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 636607102 QDJMFJKIJBKREW-UHFFFAOYSA-N 277.367 3.567 30 20 CHED C[C@H]1C[C@H](NC(=O)c2cc(C#N)ccc2Cl)CC[C@H]1C 552161792 WNXDTOSADFWNQX-NTZNESFSSA-N 290.794 3.766 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 297698656 FSPJGPUDBSBFEX-BDAKNGLRSA-N 262.378 3.654 30 20 CHED C#Cc1ccc(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1 809581755 OIYNRRNUXHKPDL-OXQOHEQNSA-N 291.394 3.630 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccccc1Cl 472850625 OYGMEDBHCYEMQM-UHFFFAOYSA-N 280.799 3.838 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(OC(C)C)c1 297068982 WTXKYOVQHGQCOE-KRWDZBQOSA-N 291.391 3.641 30 20 CHED Cc1c(C#N)c(S[C@@H]2CC[C@@H](C#N)C2)nc2c1CCC2 294995264 NPGLJKKYZALZQI-VXGBXAGGSA-N 283.400 3.535 30 20 CHED C#CCOc1ccccc1-c1noc(C2=CCCCC2)n1 809397027 JPUICTCXHPQZLQ-UHFFFAOYSA-N 280.327 3.706 30 20 CHED C=CCCCc1nc([C@H]2CSc3ccccc32)no1 296596048 XFSQJGKIJSMWDJ-LBPRGKRZSA-N 272.373 3.816 30 20 CHED CC(=NNCC1CCCC1)c1c(Cl)nc2sccn12 808005859 KIXBPJPYNLHDRG-UHFFFAOYSA-N 296.827 3.553 30 20 CHED C=C(C)CSCC(=O)N1c2ccccc2CC[C@@H]1C 477022596 ODOMJTYBVHXTAR-ZDUSSCGKSA-N 275.417 3.664 30 20 CHED C#Cc1ccc(CNc2cc(C)n(-c3ccccc3)n2)cc1 809634418 BQLLGKPCDBEQGW-UHFFFAOYSA-N 287.366 3.774 30 20 CHED C/C=C\c1ccc(NC(=O)c2cccc(F)c2C#N)cc1 562874988 XAQJVZSGWWSASR-RQOWECAXSA-N 280.302 3.983 30 20 CHED C=CCC[C@H](NC(=O)OC[C@H]1CCCO1)c1ccccc1 805043175 OKXFXDXUCHOVCL-CVEARBPZSA-N 289.375 3.599 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1ccccc1)C2=O 809156092 IWASJNDSOCGGMH-XFXZXTDPSA-N 268.287 3.657 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)c[nH]1 473378399 WYNHEIATZPBDAG-UHFFFAOYSA-N 288.778 3.887 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1cccc(C#N)c1 805697651 CGQWUZNIDDTFJL-ZDUSSCGKSA-N 270.332 3.637 30 20 CHED C[C@H](O)C[C@H](CNc1ccc(F)cc1C#N)c1ccccc1 290820885 SOZMGDGXHKGVLF-XJKSGUPXSA-N 298.361 3.664 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@H]1Nc1cc(C#N)ncn1 566775143 YOKWAKHJJSIMML-YJBOKZPZSA-N 292.386 3.720 30 20 CHED Cc1ccsc1-c1noc(COc2ccc(C#N)cc2)n1 567003817 RDUAPYFJPIACLQ-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N[C@](C)(C#N)C(C)C 566678914 MINMEOFRKAIDKH-GDBMZVCRSA-N 264.413 3.813 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(C#N)cc1Cl 811672204 SPMAGZUGZLOQCO-ACTNEVMUSA-N 269.131 3.705 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](C)c1cc(C)cc(C)c1 810362368 OHFYDNAKQFWHFL-INIZCTEOSA-N 291.394 3.705 30 20 CHED N#CCCC1CCN(C(=O)Cc2cccc(C3CC3)c2)CC1 565424638 ZCGQRESARHNNLM-UHFFFAOYSA-N 296.414 3.649 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)CCCN2C 815546803 XJELVZGOOMURMO-UHFFFAOYSA-N 272.392 3.610 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C2[C@H]3CCCC[C@H]23)cc1 573812686 BFUVBWBBXSPMIJ-ULQDDVLXSA-N 296.414 3.708 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)Nc1ccccc1CC#N 575359334 CUIOMKPAVMVZQR-CQSZACIVSA-N 270.376 3.908 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(F)cc1Cl 812824506 SFXXPXNNVJZWRV-UHFFFAOYSA-N 287.721 3.642 30 20 CHED Cc1cc(CNC(C)(C)c2cccs2)ccc1C#N 488273024 CUAPQBZRVWXOPS-UHFFFAOYSA-N 270.401 3.953 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H](CC(F)(F)F)C1 817632471 JJZVBPUHKDCNGG-CYBMUJFWSA-N 289.341 3.761 30 20 CHED CCCCc1noc(COc2cc(Cl)cc(C#N)c2)n1 487450437 UPPFPQMXYMWMGX-UHFFFAOYSA-N 291.738 3.516 30 20 CHED C=CCC1(CNC(=O)C2CC3(CCC3)C2)CCCC1 578628604 MBNITEXWYYDKAL-UHFFFAOYSA-N 261.409 3.819 30 20 CHED CCC(=NOC/C=C/Cl)c1ccc(N(C)C)cc1 811670088 NFFIDSCXJGFFTE-HCCBZUGOSA-N 266.772 3.636 30 20 CHED C=CCCCCOC(=O)c1cnc(Oc2ccccc2)cn1 811013118 KRRLMFNHONIBJM-UHFFFAOYSA-N 298.342 3.782 30 20 CHED COc1cccc(NN=Cc2cn[nH]c2-c2cccs2)c1 812455346 ZQZAQOAZNQTVGE-UHFFFAOYSA-N 298.371 3.593 30 20 CHED CC1(C)CCCN(Cc2cccc3[nH]ccc23)[C@H]1C#N 571729930 APMFDXJEWSOUSM-INIZCTEOSA-N 267.376 3.682 30 20 CHED CCCC(=NNCCCc1ccccc1)c1cccnc1 814838134 ZOHKEROUJFHHMY-UHFFFAOYSA-N 281.403 3.808 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC[C@@H](O)c1cccc(F)c1 819369264 XFQFWJMIMDFRSZ-RBUKOAKNSA-N 299.389 3.636 30 20 CHED C=CCCCNC1CC(c2cc(F)cc(F)c2)C1 572079460 CEVRNPNOSQPGBK-UHFFFAOYSA-N 251.320 3.767 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccc(C(C)(C)C)cc1 729936172 KFFQUBUCFZNWNT-UHFFFAOYSA-N 282.391 3.919 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H](C)c1ccccc1F 726770237 OUXVBHXATITMDZ-CQSZACIVSA-N 290.382 3.718 30 20 CHED Cc1cc(C=NNCCCO)c2c(C)ccc(C(C)C)cc1-2 729932740 JYTSYUMBYHKVOH-UHFFFAOYSA-N 298.430 3.838 30 20 CHED CCCN(CC#N)C(=O)C/C=C\c1ccc(C(C)C)cc1 488322512 JEQYARBTAYDRMP-WAYWQWQTSA-N 284.403 3.975 30 20 CHED C[C@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 727640440 ZUIYAMARRIQIGT-APYUEPQZSA-N 269.344 3.599 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)C(C)C 498101784 NIWRFBNRXOXFPI-CQSZACIVSA-N 251.414 3.873 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccn(CC)n2)CCCC1(C)C 667712732 NZJFOSNAHJIRFG-CYBMUJFWSA-N 290.411 3.502 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1F 727653673 WACBZJXEGGODPO-ONNFQVAWSA-N 287.309 3.927 30 20 CHED CC[C@@](C)(C#N)C(=O)N(CCc1ccccc1)CC(C)C 572155565 NEDUJVUBELETRK-SFHVURJKSA-N 286.419 3.654 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1c(C)ccnc1C 667061797 XRHXSJSLPNYLOL-UHFFFAOYSA-N 261.369 3.565 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@]1(C)CC1(Cl)Cl 827323894 RRMBIJQABVYKSX-ZDUSSCGKSA-N 283.202 3.574 30 20 CHED CCCOc1ccc(C=NNc2cccc(OC)c2)cc1 725852859 HEDSBFLFIDCIPZ-UHFFFAOYSA-N 284.359 3.930 30 20 CHED C=CCCNC(=O)NC1CCC(c2ccccc2)CC1 661572107 HATNJHQQYAMMMP-UHFFFAOYSA-N 272.392 3.588 30 20 CHED C=CCCC1(c2nc(C3Cc4ccccc4C3)no2)CC1 581514606 XSFHFLYMGZNDPV-UHFFFAOYSA-N 280.371 3.950 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cccnc1Cl 728698389 IXHJBPYUABALIA-SOFGYWHQSA-N 287.746 3.948 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@H](C)c1c[nH]c2ccccc12 491315201 LOOZETXLVJVXAB-KBPBESRZSA-N 282.387 3.580 30 20 CHED N#CC1(CCCCOC(=O)c2ccsc2)CCC1 908745505 MFTKVCUTHGJXPY-UHFFFAOYSA-N 263.362 3.769 30 20 CHED C=C(C)C(C)(C)C(=O)OCCC(Cl)(Cl)Cl 821447406 FNMUWAZLDBHWQP-UHFFFAOYSA-N 273.587 3.892 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 491774303 CJVWYOHUOPYVEN-UWVGGRQHSA-N 284.186 3.577 30 20 CHED Cc1cc(C#N)ccc1COc1ccccc1-n1cccn1 586213286 AMSDPHHPECDPST-UHFFFAOYSA-N 289.338 3.631 30 20 CHED CC(C)CC[C@@H](NC(=O)c1cccc(C#N)n1)C(C)(C)C 589422392 VCOLINAWDQKMGV-OAHLLOKOSA-N 287.407 3.534 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H](C)c1ccc(Cl)cc1 498113891 IRITZLDXSZCJET-MNOVXSKESA-N 283.824 3.825 30 20 CHED C=CCN(C)C(=O)C1(c2cccc(C)c2)CCCCC1 490941760 KCOGHHXYVIORLW-UHFFFAOYSA-N 271.404 3.841 30 20 CHED CC[C@H](NC[C@@H](C#N)CCC#N)C(C)(C)c1ccccc1 583626353 OCJGSTADKHTPKP-WBVHZDCISA-N 283.419 3.776 30 20 CHED Cc1coc(-c2cc(NC(=O)C#CC(C)C)ccc2C)n1 830354663 UHMDICIGZCHVMB-UHFFFAOYSA-N 282.343 3.556 30 20 CHED CS[C@@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)C1 901249250 VUADEJINUCCPBW-LLVKDONJSA-N 296.367 3.597 30 20 CHED CCc1nn(C)c(Cl)c1C=NNc1ccc(Cl)cc1 734744813 WVYVEHISYQQCHU-UHFFFAOYSA-N 297.189 3.735 30 20 CHED C=CCCNC(=O)N1CCCCC[C@H]1c1ccc(C)o1 665945012 AKLCHTAZFJLGJH-AWEZNQCLSA-N 276.380 3.791 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc3nc(O)[nH]c3c2)s1 731157348 VWORAOMLLSKUMX-VURMDHGXSA-N 298.367 3.789 30 20 CHED CCCCN(C(=O)CCCCCC#N)[C@@H](C)CC 588864818 LVOAQZMYZZYOAK-AWEZNQCLSA-N 252.402 3.888 30 20 CHED C=CCC1(C(=O)O[C@@H](C)CC2CCOCC2)CCCC1 835417343 XVIKPZYTHPRPTA-AWEZNQCLSA-N 280.408 3.871 30 20 CHED CC[C@H](NCCC[C@H]1CCCCO1)c1cccc(C#N)c1 902952066 UFSUZFIXLWKISW-MSOLQXFVSA-N 286.419 3.948 30 20 CHED C=C(CNC(=O)c1c(F)cccc1Cl)c1ccccc1 673342335 IFPVFAUPLCIMCE-UHFFFAOYSA-N 289.737 3.922 30 20 CHED Cc1cccc(Cl)c1OC(=O)c1cccc(C#N)c1 736022683 YYPUWXIHGMVCMZ-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835158783 KXZRKKOMJGEANZ-NXEZZACHSA-N 285.265 3.811 30 20 CHED C#CCSCCNC(=O)[C@@H](CC1CCCCC1)C(C)C 739824924 DHMJKDNKWQQLDZ-INIZCTEOSA-N 295.492 3.712 30 20 CHED N#Cc1cccc(CC(=O)OCCC2=CCCCC2)c1 837562235 OBJDNLLQTGYBKT-UHFFFAOYSA-N 269.344 3.534 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1CCc2ccc(C)cc21 730147215 NFLRLNJNIBZRIY-YLRSXTQRSA-N 281.355 3.816 30 20 CHED CCCNN=Cc1ccc(-c2ccc(F)cc2C)o1 734298771 LGSNUBAGKMNDLX-UHFFFAOYSA-N 260.312 3.728 30 20 CHED O=C(C#CC1CC1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 837542606 MQUKLZDFFUUHIW-OTWHNJEPSA-N 293.410 3.585 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 831052555 YFHKKXRZIIZJEF-UHFFFAOYSA-N 276.767 3.526 30 20 CHED CCC(CSc1ccc(Cl)cc1)=NOCCOC 748790867 BBVHRHOCENNCHE-UHFFFAOYSA-N 287.812 3.861 30 20 CHED CC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)s1 748677729 RYLGTFZFFGTJIY-NSHDSACASA-N 299.351 3.740 30 20 CHED C#CCCCNC(=O)N[C@H](c1ccccc1Cl)C(C)C 743691119 QSUVPNTVYYZXPF-HNNXBMFYSA-N 292.810 3.750 30 20 CHED C[C@@H](C#N)CNC(=N)Nc1cccc(Oc2ccccc2)c1 849096403 BIKBQEXPPSHMAI-ZDUSSCGKSA-N 294.358 3.575 30 20 CHED Cc1ccc(-c2nnc(SCC3(CC#N)CC3)o2)cc1 594880314 BAFWFQDURILFPJ-UHFFFAOYSA-N 285.372 3.831 30 20 CHED Cc1nc(C#N)c(NN=C[C@@H](C)CCc2ccccc2)o1 749157530 GFVAHKLYQVKXMT-LBPRGKRZSA-N 282.347 3.521 30 20 CHED C[C@@H](CC(=O)N(C1CC1)[C@@H](C)C#N)c1c[nH]c2ccccc12 598136282 GNVFEMYIJLBLSC-STQMWFEESA-N 295.386 3.565 30 20 CHED N#C[C@H](C(=O)CC1CCCC1)c1nc(C2CC2)cs1 842937593 FXHOSTAYJVOZHS-GFCCVEGCSA-N 274.389 3.777 30 20 CHED CC(=NN=C1CC(c2ccc(C)cc2)C1)c1cnccn1 745202367 YINOQICHUWDXKJ-UHFFFAOYSA-N 278.359 3.528 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc3c(c2)CCO3)c1 917540576 PVLSWYYYLGXQRS-UHFFFAOYSA-N 266.344 3.684 30 20 CHED CCC[C@H](C(=O)NC(C)(C)C#N)c1cccc(Cl)c1 599398919 FWLVFQXFRMFAQG-ZDUSSCGKSA-N 278.783 3.642 30 20 CHED Clc1ccc(C=NNc2nncc3ccccc23)cc1 915909107 AFKJUIQFLNGLRI-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC1(C)C 594040262 YWEBXPCCFPXHIX-WMLDXEAASA-N 298.430 3.679 30 20 CHED C=CCN(C(=O)NCc1cccc2ccccc12)C(C)C 746966666 UQPDYPYDMLDIJV-UHFFFAOYSA-N 282.387 3.946 30 20 CHED C=C(C)COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 747518061 VYYKJJJEDSTBFU-OLZOCXBDSA-N 250.725 3.563 30 20 CHED N#Cc1ccc(C2=CCN(CC3=CCCC3)CC2)cc1 592089802 MIKUEFBGFOBBFQ-UHFFFAOYSA-N 264.372 3.758 30 20 CHED C=CCCSCCNC(=O)c1ccc(C(F)F)cc1 597970937 AHUFZRQJKOYWLQ-UHFFFAOYSA-N 285.359 3.663 30 20 CHED CCCCCCCCN1CCC2(CC1)[C@@H](O)C[C@@H]2OCC 741257772 XRMQRWWHLPFOPC-IRXDYDNUSA-N 297.483 3.599 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cccc(OC)c1O 846170574 OVJROWHOISQANE-LBPRGKRZSA-N 263.381 3.654 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1ccc(Cl)s1 916288352 XRTIEEYQSGUZSD-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccccc1C 596273177 OPFDFQWISQOKRL-OAHLLOKOSA-N 289.444 3.817 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3c(OC)cccc3[nH]2)C1 912389527 UNOHSVNIYFRRLX-CYBMUJFWSA-N 298.386 3.605 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(N(C)C)cc2C)c1 915979444 PSFPNHZDBFNPLV-UHFFFAOYSA-N 298.386 3.916 30 20 CHED COc1cccc(C=NNc2nc3ccccc3s2)c1 916246311 DAZJIYVWCMJULT-UHFFFAOYSA-N 283.356 3.751 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)cc1 917517664 QTEHGBNHGYCEFB-OQFOIZHKSA-N 294.350 3.916 30 20 CHED CCCCCCCCOCC(=O)N(C)c1cccc(C)n1 741697477 XYCQBJALSVYOHB-UHFFFAOYSA-N 292.423 3.730 30 20 CHED Cc1cc(/C=C2\CC(C)(C)c3ccccc3C2=O)nn1C 840720575 RJKHMBFHKWGDMS-JLHYYAGUSA-N 280.371 3.676 30 20 CHED Cc1cc(NC(=O)C=C2CCCCC2)c(C#N)cc1N(C)C 841240684 YZJQRQRMJNRLJQ-UHFFFAOYSA-N 297.402 3.762 30 20 CHED Cc1cc(C)c2c(c1)CC[C@H]2NCC1(C#N)CCC1 594607298 SGDRADRUOOTTAY-OAHLLOKOSA-N 254.377 3.574 30 20 CHED CCc1ccc(CC(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 748677958 WLRFDHDHBDKIDC-AWEZNQCLSA-N 293.366 3.968 30 20 CHED Cc1ccc(C=NO[C@H]2CCCCO2)c(Cl)c1 844588351 BUVHOKFLMAVUDE-ZDUSSCGKSA-N 253.729 3.526 30 20 CHED C[C@@H]1CC=C(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)CC1 842942524 KNZNYMZGXJJZFW-ZWNOBZJWSA-N 286.400 3.943 30 20 CHED COC1(C(C)=NNc2cc(F)cc(Cl)c2)CCC1 853396130 XDBPDIHPYHWBPN-UHFFFAOYSA-N 270.735 3.836 30 20 CHED CCCC[C@@H](CC)CNC(=S)N(CC)C[C@H](C)C#N 920994540 DVRAKEPVIZUNCP-ZIAGYGMSSA-N 283.485 3.559 30 20 CHED COc1cccc(O)c1C=Nc1cc(C#N)ccc1Cl 755031730 NBZWEVNIARHNKV-UHFFFAOYSA-N 286.718 3.676 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 855544649 DSCXOFMLOTVBBS-INIZCTEOSA-N 287.403 3.987 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 851141860 DUUZYPMGKXPYNV-NHIYQJMISA-N 278.392 3.670 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccccc2C)c1C 920927819 RDDMUNDBFAJKIC-KHPPLWFESA-N 268.360 3.724 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H]1COC 752839038 PKFDXQKAOYZDSD-HNNXBMFYSA-N 284.444 3.557 30 20 CHED C=CCC1(NC[C@H](O)c2ccccc2)CCCCC1 859746115 WQNKTCYAGJIPDS-INIZCTEOSA-N 259.393 3.589 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(-c2ccccc2F)on1 684938447 AQJHVAMAVOGDQE-NSHDSACASA-N 288.322 3.565 30 20 CHED CCOc1ccc(C/N=C\c2ccc(OCC)cc2O)cc1 920388129 ZCTOPYNHCGSUKS-UYRXBGFRSA-N 299.370 3.809 30 20 CHED C[C@@H](CN[C@H](C)CC(C)(C)C#N)Oc1ccc(F)cc1 925154324 BHVQOFVFWDDAMZ-OLZOCXBDSA-N 278.371 3.511 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCc1cccnc1Cl 851203352 TVGOVCSCWKAKHN-LLVKDONJSA-N 294.782 3.539 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Nc1cnns1 755338062 UIDDKZYUQMZPCW-NSHDSACASA-N 284.429 3.656 30 20 CHED Fc1ccc(C=NOCCCCC(F)(F)F)cc1 752762471 YIPRTBCLWNZJEB-UHFFFAOYSA-N 263.234 3.909 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(Cl)cs2)C1 855437456 WYYUHAUIOOOWOV-SNVBAGLBSA-N 269.797 3.830 30 20 CHED C#CCCCC(=O)N(CC)[C@H](C)c1ccc(F)cc1 758086745 KFLYWJGZKMOHKC-CYBMUJFWSA-N 261.340 3.539 30 20 CHED C[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)C(C)(C)C 751553988 IDVDFEYPKLKZRA-JTQLQIEISA-N 277.343 3.501 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc2ccccc2n1)OCC 756469948 IRHMZCZCFSMIIZ-KRWDZBQOSA-N 299.370 3.649 30 20 CHED Cc1cc([C@H](C#N)C(=O)[C@@H](C)CCC(C)(C)C)nc(C)n1 755600216 RKMJCLJEHXQPLL-FZMZJTMJSA-N 287.407 3.732 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3cccc(C)n23)c(O)c1 757474712 DFYFZBXZAIWRBA-CLFYSBASSA-N 292.338 3.553 30 20 CHED C[C@@H]1CCCCN1N=Cc1ccc2ccccc2c1O 853381750 KRZAKEWAMSPGRC-CYBMUJFWSA-N 268.360 3.754 30 20 CHED N#CCc1ccc(C(=O)OCc2cc3ccccc3o2)cc1 758695168 CXWOVGBUWUYAHN-UHFFFAOYSA-N 291.306 3.856 30 20 CHED C[C@@H](Cc1ccccc1Cl)C(=O)OCCCCC#N 754299384 NIUGDPPEMRHUFD-LBPRGKRZSA-N 279.767 3.756 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ncccc1F 851141925 DZTGDQZLEAOARV-YPMHNXCESA-N 263.312 3.512 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccc(O)cc1)CC1CC1 934941684 HWSGVIWNRPRUJS-CQSZACIVSA-N 287.403 3.733 30 20 CHED C=CCC[C@H](CC)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 866549155 FNHYLTCJHBOGHX-KKUMJFAQSA-N 296.455 3.624 30 20 CHED C#C[C@H](OC(=O)c1cncc(-c2cccc(C)c2)c1)C1CC1 767528285 IKOUZRPYBLFNQW-SFHVURJKSA-N 291.350 3.626 30 20 CHED COc1ccc(C=NNc2cc(C)cc(C)c2)s1 763136552 ADKREQXCHKKJDD-UHFFFAOYSA-N 260.362 3.820 30 20 CHED CC(C)c1ccc2c(c1)C(=NNCC(F)F)CCCO2 767784304 DHGKPWLLUGOVOR-UHFFFAOYSA-N 282.334 3.541 30 20 CHED CCc1c(C)sc(NC(=O)c2cocc2C)c1C#N 875297924 QPLZQMGVPOIBTO-UHFFFAOYSA-N 274.345 3.644 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)NCCCCC#N 931967810 LDMOHGOHMWPEPD-UHFFFAOYSA-N 272.392 3.699 30 20 CHED FC(F)(F)C1CCC(CON=C2CCCOCC2)CC1 769830422 ZAFVHKJKBNCACM-UHFFFAOYSA-N 293.329 3.928 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](CC)CCc1ccccc1 862689745 DKRNSZNCHSZOGO-CQSZACIVSA-N 281.346 3.725 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\CCc2c(F)cccc2C1=O 865227279 NRRRPPPRIAGXFL-FMIVXFBMSA-N 296.345 3.649 30 20 CHED Cc1ccnc(NN=C2CC[C@@H]2c2ccccc2)c1 769792834 KYXCJWSAWCCAOD-CQSZACIVSA-N 251.333 3.736 30 20 CHED C=CC[C@H]1N(Cc2c(C)nn(C)c2Cl)CCCC1(C)C 769953925 PRLFLXVYDKPUBY-CQSZACIVSA-N 295.858 3.949 30 20 CHED CC1(C)C(=NNCCN2CCCCC2)C[C@H]1c1ccccc1 768481986 GLAABWYHMSWCCZ-KRWDZBQOSA-N 299.462 3.632 30 20 CHED Cc1cc(OC(=O)c2ccc(Cl)cc2F)ccc1C#N 765113458 OKIFYWUHHFUSDF-UHFFFAOYSA-N 289.693 3.878 30 20 CHED CC(C)[C@H](C#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 765468004 LNRKCLXVEWHUQB-LOACHALJSA-N 276.424 3.813 30 20 CHED CCCCCCCCC(=O)N1CCOC(C)(C)[C@H]1C 763700023 FGGALVGHARJMKN-CQSZACIVSA-N 269.429 3.763 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C1[C@H]2CCC[C@H]12 776703377 VZYHOWGCPDNYML-KBPBESRZSA-N 283.371 3.577 30 20 CHED Cc1sc(CN2CCC(C#N)CC2)cc1Br 876652605 DVCZSNIZZGYRPX-UHFFFAOYSA-N 299.237 3.555 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)Cc1ccccc1CC#N)C1CC1 776897439 SAKDLSSPEQVZOV-LSDHHAIUSA-N 298.430 3.721 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1ccc(OC)c(C)c1 878717451 AFEZQIWZAUWVFH-UHFFFAOYSA-N 275.392 3.564 30 20 CHED CCOc1cccc([C@@H](C)Nc2cccc(CC#N)n2)c1 1116636530 OWSVRRSEPBGTRM-CYBMUJFWSA-N 281.359 3.719 30 20 CHED CCCCOCCN(CC)[C@@H](C)c1ccc(C#N)cc1 54340171 XRMMABZLVWPRLR-HNNXBMFYSA-N 274.408 3.758 30 20 CHED C#CCCCOC(=O)[C@@H](C)CCCc1ccccc1 775925743 MZSGCGMUMVUGET-HNNXBMFYSA-N 258.361 3.602 30 20 CHED CCCCN(C(=O)c1csc(C#N)c1)[C@H](C)CC 1117820120 YQSIPBWOFCOFTR-LLVKDONJSA-N 264.394 3.661 30 20 CHED C#CCOc1ccccc1NCCCCC(F)(F)F 774378348 KBYMJDAYBNBMFW-UHFFFAOYSA-N 271.282 3.843 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccc(C(N)=O)cc2)cc1 779825570 YLSHVTMYWLQMNI-UHFFFAOYSA-N 295.386 3.529 30 20 CHED COC(=O)c1ccc(CSCc2cccc(C#N)c2)cc1 58238521 UIEXKFYYXFRCLR-UHFFFAOYSA-N 297.379 3.778 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)Cc2ccc(C)cc2)c1 778700158 KGIJVJZXPCXEAN-INIZCTEOSA-N 291.394 3.818 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 1129070738 BVPZSQQCRFBPRU-LALPHHSUSA-N 298.386 3.772 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](C)CCSC)c1ccccc1 777681383 MLMYBOYDXOAKRW-GOEBONIOSA-N 291.460 3.994 30 20 CHED C=CCCC(=O)Nc1ccc(CN2CCCCC2)cc1 882948602 CMQKHGSJSMOGNT-UHFFFAOYSA-N 272.392 3.577 30 20 CHED C=C(CC)C(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 1123790625 VGPHUIVACKQJMC-AWEZNQCLSA-N 265.303 3.664 30 20 CHED O=C(O)c1csc(/C=C/C(=O)c2cc(F)ccc2F)c1 782201305 SPEXYBXKHIYOGI-DUXPYHPUSA-N 294.278 3.621 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)ccc1F)c1ccccc1F 1129715916 UOKKRNSXYKAALE-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C=C[C@@](C)(CC)COC(=O)Cc1cc2ccccc2nc1O 786531555 ZOALRCLEJWYWLR-SFHVURJKSA-N 299.370 3.628 30 20 CHED COC(=O)c1ccccc1NN=Cc1cc(Cl)cs1 782269197 VEISFQYDVFSONV-UHFFFAOYSA-N 294.763 3.634 30 20 CHED C#CCC1(c2nc(-c3ccc(O)cc3)no2)CCCCC1 788095762 IFWYMQMYQZXHOD-UHFFFAOYSA-N 282.343 3.667 30 20 CHED C[C@H]1CCCC(=NNc2ncnc3ccsc23)[C@H]1C 781128711 TUGOLKHSWMRSJL-UWVGGRQHSA-N 274.393 3.915 30 20 CHED C=CCCN(C)Cc1c(C)nn(-c2ccccc2)c1Cl 786435408 FOGHMWNKVYNRNW-UHFFFAOYSA-N 289.810 3.842 30 20 CHED C=CCCCCCOc1ccc2ccc(=O)oc2c1 783001217 KAYMQPFJYOIDSJ-UHFFFAOYSA-N 258.317 3.918 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CO[C@@H](C)C1 784070652 KOHJSUOZDHTAGF-SOUVJXGZSA-N 269.429 3.524 30 20 CHED CC(=NNCCc1ccccn1)C(C)(C)c1ccc(F)cc1 789102470 CJRGBXFNCWIGHH-UHFFFAOYSA-N 299.393 3.707 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1nccnc1C 783512024 ZQGJGFXLTAFOOW-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccccc1CC)OCC 782297725 MVEHSYIEENNKRQ-INIZCTEOSA-N 276.376 3.664 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(OC(F)(F)F)cc2)C1 799720639 KSJOITKVINUZHZ-KOLCDFICSA-N 270.254 3.689 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1ncncc1F 793214963 TUWZQSZOHRAYPT-UHFFFAOYSA-N 286.354 3.771 30 20 CHED C[C@H](NCCCCC#N)c1sccc1Br 167257961 BZVVSJUAAJPCNF-VIFPVBQESA-N 287.226 3.855 30 20 CHED COc1cccc(/C=N\Cc2ccc3[nH]c(C)cc3c2)c1O 794689985 VURMNOXRBKNIEK-ODLFYWEKSA-N 294.354 3.810 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@H](C)c2ccccc21 185332808 XTFXNWDATKISCF-ZDUSSCGKSA-N 255.361 3.576 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)CCc2ccc(O)cc21 794960848 XPWUXQDDQCETMN-UKTHLTGXSA-N 268.287 3.744 30 20 CHED CC[C@](C)(C#N)C(=O)OCCc1ccc2ccccc2c1 797023952 WQNWFRICYYTOPP-GOSISDBHSA-N 281.355 3.865 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H]2CCC[C@H]2C)cc1 798503395 JDBNRJHHUCTKDD-IIAWOOMASA-N 272.392 3.503 30 20 CHED CSc1ccc(C(C)=NNCCC(F)(F)F)cc1 794553730 XPWDMXXBCVDAGU-UHFFFAOYSA-N 276.327 3.675 30 20 CHED COc1ccccc1C=NOCc1cnc2ccccc2c1 799173828 FLYQHHJOQABUML-UHFFFAOYSA-N 292.338 3.794 30 20 CHED Cn1ncc2c1CC/C(=C/c1ccc3c(c1)CCCC3)C2=O 792871000 DBJRGLHBZJUHCQ-WJDWOHSUSA-N 292.382 3.511 30 20 CHED COc1cccc(C=NNc2ccc(C(F)(F)F)cc2)n1 790172728 VITJKUVCEHCKLQ-UHFFFAOYSA-N 295.264 3.555 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1cc(F)c(F)cc1C 791404943 ZTDYXRPRIMVZCI-CQSZACIVSA-N 254.276 3.781 30 20 CHED Cc1ccc2[nH]c(C(=O)Nc3cccc(CC#N)c3)cc2c1 1149488353 KLNNZCGLDMGTFH-UHFFFAOYSA-N 289.338 3.795 30 20 CHED Cc1nc(N2CCC(C3CCCC3)CC2)ccc1C#N 589863884 NCCYZBXVNCWKNL-UHFFFAOYSA-N 269.392 3.668 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NC(C1CC1)C1CC1 78833300 SBMRDRYAQLFCCH-UHFFFAOYSA-N 281.281 3.573 30 20 CHED C=CC[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 661377508 OOUJNSSMHPUGIU-LBPRGKRZSA-N 289.404 3.586 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Cl)c2ncccc12 767050717 TZFUVPKZTPMAHF-UHFFFAOYSA-N 286.762 3.876 30 20 CHED C[C@@H]1CCC[C@@H](N(C)c2nc(C#N)c(Cl)s2)C1 1162298060 XMSCWNGYVSBHKK-RKDXNWHRSA-N 269.801 3.683 30 20 CHED CC1(C)C[C@@]1(CNc1cccc(C#N)n1)c1ccccc1 1163775320 PFPQSMLCQXBVDZ-GOSISDBHSA-N 277.371 3.733 30 20 CHED COc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1F 1319468333 VJSHWUCRNWKULC-XFFZJAGNSA-N 286.277 3.796 30 20 CHED CCc1nc(C#N)cc(N[C@@H](Cc2ccccc2)C(C)C)n1 1164124937 RMEVASPVOMSHBN-INIZCTEOSA-N 294.402 3.590 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)[C@H](C)c1ccccc1 1327980782 MLOAUILJOYQTFN-RYUDHWBXSA-N 284.384 3.542 30 20 CHED N#Cc1cccc(-c2nnc(-c3cccc4ncccc34)o2)c1 1324099046 UISGIHHEMFAHNY-UHFFFAOYSA-N 298.305 3.823 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(-c3cnn(C)c3)cc2)o1 1321074552 SCLVVPRQXXPQMG-RMKNXTFCSA-N 292.338 3.885 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cn1cc(C)c2ccccc21 1326623586 KKLWNVWXJAZMTL-HNNXBMFYSA-N 282.387 3.517 30 20 CHED O=C1/C(=C/c2ncc(-c3ccccc3)[nH]2)Oc2ccccc21 1322091739 FUISHQDAQDDVJF-YBEGLDIGSA-N 288.306 3.693 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1cccc(F)c1C#N 1180139518 CDABILREILNGKK-KRWDZBQOSA-N 294.329 3.804 30 20 CHED C=CC(C)(C)c1nnc(C(C)(C)c2ccccc2)o1 1330097900 FHBYGFUASUBOQJ-UHFFFAOYSA-N 256.349 3.859 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)CC#Cc1ccccc1)C1CC1 1252963681 VLDFUYGKXFXVGD-HOTGVXAUSA-N 283.415 3.854 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccccc1Cl)CC2 1653166342 FALYJFRCLPWCEW-UHFFFAOYSA-N 268.747 3.774 30 20 CHED C=CC[C@@H](C(=O)Nc1noc2c1CCCC2)c1ccccc1 1339065601 CBOMYSXNQGRBQH-CQSZACIVSA-N 296.370 3.852 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1c1cccc(CC#N)n1 1334305098 XNSIHQKYFNWPKO-YJBOKZPZSA-N 291.398 3.920 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)OCC(C)(C)CCC#N 1345925557 UBRBMMYFHRGUBF-CQSZACIVSA-N 273.376 3.972 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](CCC)c1ccccn1 1262654929 WNNUQQQOTQNRSY-HZPDHXFCSA-N 286.419 3.923 30 20 CHED C=C(CC(C)C)C(=O)Nc1cccc(-c2ncco2)c1 1347081512 OWDLZEXJOQSXSH-UHFFFAOYSA-N 270.332 3.882 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1nc2c(s1)CCC2 1344539781 ARQUXSXIGATSNP-NSHDSACASA-N 291.420 3.594 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)N1CCC[C@@H](C#N)C1 1354751390 CYUQIWROBIQVEZ-LBPRGKRZSA-N 291.782 3.724 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc3occc3s2)c1 1438462484 PSBRPOQIZFQELM-UHFFFAOYSA-N 286.287 3.757 30 20 CHED CC(C)N(CCC#N)C(=O)C1CCC(C(F)(F)F)CC1 216284754 KJOUCCJMCJICAY-UHFFFAOYSA-N 290.329 3.506 30 20 CHED CC1(C)CCCN(CCCCC2(C#N)CCC2)[C@H]1C#N 1351411865 RDTVAHCSVZWYSM-HNNXBMFYSA-N 273.424 3.865 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCc1ccc(Cl)c(F)c1 1518546383 ATTREERKKASHDU-LBPRGKRZSA-N 296.773 3.562 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1scc(C)c1C#N 1525498634 SRVGDTKQRXNRNU-UHFFFAOYSA-N 288.347 3.882 30 20 CHED CC(C)CC1(NC(=O)Nc2cc(C#N)c(F)cc2F)CC1 1467184807 DOKVRPUVASWTND-UHFFFAOYSA-N 293.317 3.537 30 20 CHED Cc1cc(C)c(NCc2cccc(C(=O)O)c2C#N)c(C)c1 1607620852 LWQRDAJNQKZUJZ-UHFFFAOYSA-N 294.354 3.794 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)C1 1466772877 JMEGAVKGLZYSHE-NWDGAFQWSA-N 289.354 3.645 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 1466836538 ANIZSNGSDFQVGY-BLLLJJGKSA-N 285.391 3.909 30 20 CHED CC[C@]1(C)CCCN(CCc2ccc(C#N)cc2)C1 1615648943 JQJRBZGNSDIIRF-QGZVFWFLSA-N 256.393 3.613 30 20 CHED Cc1cc(CNC2(Cc3ccc(F)cc3)CC2)ccc1C#N 1474146913 KJPYTDSJFIKRLI-UHFFFAOYSA-N 294.373 3.871 30 20 CHED N#Cc1ccc(F)c(COC(=O)C23CCC(CC2)CC3)c1 1542583442 SUIJBQVGNKYQBL-UHFFFAOYSA-N 287.334 3.711 30 20 CHED C=C(CNc1nc(C#N)c(Cl)s1)c1ccccc1 1559206311 WXDRPZXPKJFVTK-UHFFFAOYSA-N 275.764 3.793 30 20 CHED Cc1cc(CN2Cc3ccccc3C[C@H]2C)ccc1C#N 1621155516 ZGVMHBXGUVSLRQ-OAHLLOKOSA-N 276.383 3.814 30 20 CHED Cc1ccc(N(C)C(=O)Nc2sccc2C#N)cc1C 1626076292 FMJPFWBBWGWABH-UHFFFAOYSA-N 285.372 3.905 30 20 CHED CC(C)CN(Cc1ccns1)c1ccc(C#N)cc1 1559621530 YXTQYHZHFKUAGT-UHFFFAOYSA-N 271.389 3.677 30 20 CHED Cc1ccc(C2(CNc3ncc(C#N)cc3F)CC2)c(C)c1 1559200814 ZSBRQYBELBNZQO-UHFFFAOYSA-N 295.361 3.853 30 20 CHED Cc1nc(C#N)cc(N2CC(C)(C)c3c(Cl)cccc32)n1 1559118776 FVXZFZMIHZPZSP-UHFFFAOYSA-N 298.777 3.739 30 20 CHED C=C(Br)CNC(C)(C)c1ccc(F)cc1 119562198 LJWDYNLBEVUFJK-UHFFFAOYSA-N 272.161 3.559 30 20 CHED C[C@H]1[C@H](c2cccc(F)c2)OCCN1CCC(C)(C)C#N 1646385107 HEPITBOTWBSSCE-XJKSGUPXSA-N 290.382 3.527 30 20 CHED CC[C@H](C)[C@@H](Sc1ccc(C#N)c(C)c1)C(=O)OC 1644029731 VIJRTXDAHPAEJY-IINYFYTJSA-N 277.389 3.547 30 20 CHED C=C(Br)CN[C@@]1(c2ccccc2)CC1(C)C 1643970677 OJDYOTGFHXUHPM-CQSZACIVSA-N 280.209 3.810 30 20 CHED COc1ccc(C#N)cc1CSc1cc(C)cc(C)n1 229851918 VGGOIQVOTZEQPY-UHFFFAOYSA-N 284.384 3.871 30 20 CHED C=CC[C@H](C(=O)O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 1588728458 KDEUKLUXARTYCL-GOEBONIOSA-N 287.403 3.741 30 20 CHED N#CC1(CSCc2ccc3c(c2)OCO3)CCCC1 1651940715 OETMLPIFFHPUIZ-UHFFFAOYSA-N 275.373 3.732 30 20 CHED C[C@]1(NCCc2ccc(C#N)cc2)CCCc2ccccc21 1652996965 BDXHWJWCLLQHNC-FQEVSTJZSA-N 290.410 3.942 30 20 CHED C=CCC[C@@H](C)Nc1ccc(C[C@H](C)C(=O)O)cc1 1588777569 DKMKSBYIJSRXJL-QWHCGFSZSA-N 261.365 3.716 30 20 CHED Cc1ccc(CSc2cccnc2C#N)cc1F 1656553184 HSEXKWQVDSAQFE-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=CC[C@H](N[C@H](C)CC(C)(C)CC(=O)O)c1ccncc1 1588746145 QDLKYRYETUJDCD-HIFRSBDPSA-N 290.407 3.568 30 20 CHED C[C@H](Sc1ccc(C#N)cc1Cl)c1csnn1 1651873604 NUXGBQTUPZKDQZ-ZETCQYMHSA-N 281.793 3.916 30 20 CHED CC#CCCNCc1ccc(Br)c(Cl)c1 232463197 RRBHJJIOLKMPSN-UHFFFAOYSA-N 286.600 3.606 30 20 CHED N#Cc1ccc(NC(=O)c2cc3ccncc3s2)cc1F 1596288217 CAWBCYJIYOKCDZ-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CCCC1(CNC(=O)Nc2ccc(F)c(C#N)c2)CCC1 1668716078 GTSJMUHLKCSAMR-UHFFFAOYSA-N 289.354 3.789 30 20 CHED C=CCCCCN1CCC[C@H]([C@@]23CC[C@@H](C2)[C@H]3C(=O)O)C1 1776174837 HEHBKWLSIJZLMW-NBOOPKSLSA-N 291.435 3.556 30 20 CHED C=CCC1(C(=O)O)CCN([C@H](C)c2cccc(F)c2)CC1 1776157351 DUYFZEXIOQGHOC-CYBMUJFWSA-N 291.366 3.630 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C(=O)O)c1ccc(F)cc1 1776180840 WGUZUYAMLVDECU-KRWDZBQOSA-N 299.345 3.640 30 20 CHED Cc1ccccc1CNc1ncccc1OCCCC#N 162251672 LMBHBSCOBVWFCV-UHFFFAOYSA-N 281.359 3.685 30 20 CHED C=CCSCCN[C@@H](C)c1ccccc1Cl 165293734 GYGUEQMUIVFONR-NSHDSACASA-N 255.814 3.910 30 20 CHED CC#CCS[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 166772205 HYTBMFPVQARHIV-NSHDSACASA-N 288.372 3.563 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(COCC)cc1 151073369 TTYHQIGTTOAOEX-UHFFFAOYSA-N 273.376 3.930 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCc3ccc(C)cc32)CC1 153017814 QIFNBMULWIGGDD-IBGZPJMESA-N 284.447 3.612 30 20 CHED C=CCC[C@H](NC(=O)Nc1nccs1)c1ccccc1 153293910 NCTATRNDSUSHLN-ZDUSSCGKSA-N 287.388 3.972 30 20 CHED N#CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 153600507 WYXWJGRUIFMXBE-CQSZACIVSA-N 290.775 3.521 30 20 CHED CC(C)CC1(C(=O)N(C)Cc2cccc(C#N)c2)CCC1 155622109 NGOWWVCKQWVHAE-UHFFFAOYSA-N 284.403 3.733 30 20 CHED C=C[C@H](CC(=O)N(C)CCC(F)(F)F)c1ccccc1 159435153 CHFJRHPMAFCSSJ-GFCCVEGCSA-N 285.309 3.757 30 20 CHED C=CCSCCCCCCNC(=O)OC(C)(C)C 536955912 VZWRDYXECVARME-UHFFFAOYSA-N 273.442 3.991 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)c1ccn(C)n1 839190886 KQWJMAAIAGLCFE-KBPBESRZSA-N 251.418 3.820 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1 932156290 ABFPWLIYEMJKFW-HNNXBMFYSA-N 250.345 3.575 30 20 CHED C[C@@H](NCc1cccs1)c1ccc(OCC#N)cc1 37231931 YYFMWJVQVYWGKL-GFCCVEGCSA-N 272.373 3.501 30 20 CHED C[C@H](NCCc1ccccc1F)c1cccc(C#N)c1 37200161 LYSASOSUFBVELD-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED C=CCN(C(=O)c1cccc(C(F)(F)F)c1F)C1CC1 162213282 ZGLDQEZCWOYRMP-UHFFFAOYSA-N 287.256 3.635 30 20 CHED CS[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 300412910 WVVQNHMLPOAQPG-DAXOMENPSA-N 274.433 3.883 30 20 CHED CSc1ccc(OCc2ccc(C#N)cc2F)cc1 70160282 MYIZZKNJGPMSRY-UHFFFAOYSA-N 273.332 3.998 30 20 CHED N#Cc1ccc(Cl)cc1OCC[C@H](O)c1ccccc1 402455424 VGFVDWXTQRGFRP-HNNXBMFYSA-N 287.746 3.714 30 20 CHED N#Cc1ccc(N=C(O)[C@H]2CCCOCC2)c(Cl)c1 330119715 FZYRDKXUUAMVKY-NSHDSACASA-N 278.739 3.616 30 20 CHED Cc1nc(NCC2CC(C)(C)C2)c(Cl)cc1C#N 701960997 ZBMDYGROQDXANZ-UHFFFAOYSA-N 263.772 3.763 30 20 CHED Cc1cc(OCCC(C)(C)C#N)c(Cl)cc1[N+](=O)[O-] 388459545 DFIASBREVKORMM-UHFFFAOYSA-N 282.727 3.875 30 20 CHED CN(Cc1cccc(C#N)c1)[C@@H]1C=CCCCCC1 388871468 FRIDZUFKZRDEOK-QGZVFWFLSA-N 254.377 3.879 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(F)c(Cl)nc1Cl 57780094 BATRHZDZLRMBRU-UHFFFAOYSA-N 291.153 3.566 30 20 CHED C=CCN(CC=C)Cc1cc(-c2ccc(F)cc2)no1 51766934 BOGCJQYSABQING-UHFFFAOYSA-N 272.323 3.655 30 20 CHED N#C[C@H](C(=O)/C=C/c1cccs1)c1nc2ccccc2o1 54735034 ILDYJBDNNWGLKF-ABZNLYFFSA-N 294.335 3.779 30 20 CHED CCN(Cc1cccs1)C(=O)Nc1cc(C#N)ccc1C 58452583 PQZGQCIKNFVQFK-UHFFFAOYSA-N 299.399 3.982 30 20 CHED C=CCCC(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 118299638 RXQNURVOERECHY-XJKSGUPXSA-N 275.417 3.658 30 20 CHED CCCCCCCCC(=O)NC[C@@H](O)c1ccc(F)cc1 105072345 NMGCDJYGWCLISK-MRXNPFEDSA-N 295.398 3.726 30 20 CHED C=CCn1c(C)nnc1SC[C@H]1CCCc2ccccc21 108953649 YXNGIQOFQIDONX-OAHLLOKOSA-N 299.443 3.985 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1 179412883 OVOWSNYPIIAPBB-GQCTYLIASA-N 268.703 3.503 30 20 CHED C#CCOC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 58818427 YDUINPDUXDTWCB-UHFFFAOYSA-N 296.166 3.514 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2oc(CC)nc2c1 118045069 NZGBFEXIOACENF-UHFFFAOYSA-N 287.363 3.820 30 20 CHED CC[C@@H](c1ccccc1)[S@](=O)Cc1ccc(C#N)cc1 178109785 XUEJEGKBVZTHKD-FXAWDEMLSA-N 283.396 3.958 30 20 CHED Cc1cccc([C@H](C)Nc2ccc(C#N)nc2)c1C 301541002 VIPDBRGKTKBFME-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C=C(Br)CN[C@@H](C)c1cc(C)cc(C)c1 133307591 LEXJMNSXPCRNAQ-LBPRGKRZSA-N 268.198 3.863 30 20 CHED C#CCN[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 179711315 CYTAMGMHGMAYDM-HNNXBMFYSA-N 295.382 3.558 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCCC2=O 1347523499 YVTQYJCWSZOMTF-MRXNPFEDSA-N 297.398 3.776 30 20 CHED C=CCCCN1CCC[C@H]1c1cccc2c1OCCO2 117878367 GWZTZFTUSWTMFC-HNNXBMFYSA-N 273.376 3.561 30 20 CHED CC[C@@H](Nc1cccc(F)c1C#N)c1c(C)noc1C 301833780 SKKVQVXHMRNFEJ-CYBMUJFWSA-N 273.311 3.865 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC(F)(F)F)cc1 116996549 BXABHRGUTFCPAY-VIFPVBQESA-N 288.269 3.671 30 20 CHED Cc1nc(-c2ccccc2)c(C(=O)NCCCCC#N)s1 171504622 BPRHHTKHANGDKA-UHFFFAOYSA-N 299.399 3.542 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2c(s1)CC[C@@H](C)C2 302177495 XIBPZSRYWQBMPQ-GFCCVEGCSA-N 277.433 3.911 30 20 CHED C#Cc1cccc(NC(=O)Nc2cccc(C)c2)c1 24690104 IPJKXFCVGOQPQL-UHFFFAOYSA-N 250.301 3.620 30 20 CHED CCn1cc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c2ccccc21 179862292 HOTBBTIYYBDTQM-OLZOCXBDSA-N 282.343 3.510 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC(c2ccncc2)CC1 302781707 JPRNNFXEPJHPPL-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)C1(C#N)CCCCC1 175845620 GRNGJLPPTKNEPE-AWEZNQCLSA-N 282.387 3.606 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)Nc1cccc(C#N)c1C 408094236 RQFJEHQWULUADF-FZMZJTMJSA-N 271.364 3.662 30 20 CHED C#CCCOc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 127407437 CQVYUFLFFDFWQS-LJQANCHMSA-N 294.398 3.754 30 20 CHED C=C(CC)CNC(=O)c1c(CC)oc2ccccc12 1261336469 GQTLYMAKBLETSS-UHFFFAOYSA-N 257.333 3.691 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1Cl 122958018 FIRHCBCKACDWLO-OAHLLOKOSA-N 299.761 3.517 30 20 CHED Cc1cc(C)c(CC(=O)Nc2ccc(F)cc2C#N)c(C)c1 179504359 XXLMZUNUCQDXNW-UHFFFAOYSA-N 296.345 3.804 30 20 CHED CCCC[C@H](Nc1ccc(C#N)nn1)c1ccc(OC)cc1 302001895 QSLZSCLORFSNID-INIZCTEOSA-N 296.374 3.700 30 20 CHED N#Cc1nc(N(Cc2cccs2)C2CC2)ccc1Cl 301506677 HDXRQKMPBCVUGH-UHFFFAOYSA-N 289.791 3.837 30 20 CHED CC(C)Oc1ccc(NCc2ccc(C#N)o2)c(F)c1 129019829 OFTJWZRVVCVBKE-UHFFFAOYSA-N 274.295 3.690 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 123825174 BMYSSEWNVZMSES-DYVFJYSZSA-N 286.375 3.720 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNc1ccc(C#N)cn1 302727820 SYGBVYIXEZDBQZ-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCC(C)(C)O1 186791475 NPUNCQBUWBNIIE-QGZVFWFLSA-N 284.403 3.504 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)s1 182618771 JVJWHCVANHQYCQ-VIFPVBQESA-N 257.786 3.876 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N[C@@H](CCC#N)c1ccccc1 181159564 PIRZPKWFECHRCV-FMKPAKJESA-N 272.392 3.830 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(Cl)s1)c1ccccn1 73292852 QJAVFSKZRLQYLB-LLVKDONJSA-N 291.759 3.718 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Nc1nnc(C)s1 124372439 AWGADLPEEVYJLW-NSHDSACASA-N 298.456 3.965 30 20 CHED CCN(C(=O)CCCC#N)c1cccc(C(F)(F)F)c1 416023957 DHDHLURIYHCFKM-UHFFFAOYSA-N 284.281 3.752 30 20 CHED C=CCCC(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 189158222 WFWDIXLORSSHHW-NSHDSACASA-N 285.309 3.891 30 20 CHED COc1cc(CNCC[C@H](C)c2ccccc2)ccc1C#N 318526054 AZUUSWWXDVMAKO-HNNXBMFYSA-N 294.398 3.850 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Sc1ccccc1Cl 180473548 PWLVGIYJZTXJIO-NSHDSACASA-N 283.824 3.855 30 20 CHED CC#CCCCC(=O)NCc1cccc(C(F)(F)F)c1 184908013 PCCBZEQZAWQKPB-UHFFFAOYSA-N 283.293 3.515 30 20 CHED C=CCCCC(=O)Nc1ccc(OC)c(Br)c1 479624271 CVXDJNFOSNJNEH-UHFFFAOYSA-N 298.180 3.753 30 20 CHED CN(C(=O)c1ccc(C#N)s1)[C@H]1CCC[C@@H]1C(C)(C)C 416281866 AYWGSYQYUXWFBB-STQMWFEESA-N 290.432 3.907 30 20 CHED COc1cc(-c2ccccc2)ccc1CNC[C@@H](C)C#N 183814951 CTUWJHNHCWBAEJ-AWEZNQCLSA-N 280.371 3.611 30 20 CHED C=C(C)CN(C)C(=O)c1cc(SC)ccc1Cl 180439562 ACPAPBKALZPHMS-UHFFFAOYSA-N 269.797 3.710 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C(C)(C)C1CCC1 411055831 KTVPGSAFYKGUEB-UHFFFAOYSA-N 284.359 3.526 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C)[C@H]1CC)c1ccccc1 185373634 GOXVMFWXJPUSAT-BFYDXBDKSA-N 271.404 3.993 30 20 CHED CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCCC1 412400476 KACFNIDBZWLYAE-RCCFBDPRSA-N 296.414 3.747 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)cc2cccnc12 180383833 XUZKBZOQZZBRER-UHFFFAOYSA-N 274.751 3.536 30 20 CHED Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H](C#N)C3)C2)cc1 185847022 KEIJRBYJFSXHIC-KSZLIROESA-N 297.446 3.636 30 20 CHED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 417370375 SITVPDXNEYIAIT-IAGOWNOFSA-N 254.377 3.714 30 20 CHED CCc1cccc2c(CCN[C@H]3CCC[C@H](C#N)C3)c[nH]c12 185832127 AJVOJORTDRXYLF-YOEHRIQHSA-N 295.430 3.945 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1C 184990091 XSVPFVCLDWDWQY-UHFFFAOYSA-N 284.403 3.583 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 185090135 KOWYXANILXLYGQ-RYUDHWBXSA-N 289.354 3.881 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@@H](C)c1ccc(CC)cc1 410829674 RTKFDXOVZTVONY-PBHICJAKSA-N 286.419 3.893 30 20 CHED CC#CCCCC(=O)N(Cc1ccc(C)s1)C(C)C 185266625 AGQYANJNKXKROU-UHFFFAOYSA-N 277.433 3.987 30 20 CHED C=C(C)COCCN[C@H](C)c1csc(C(C)C)n1 186420693 VVDOVODBBLTLPC-GFCCVEGCSA-N 268.426 3.510 30 20 CHED CC(C)COc1ccc([C@@H](C)NCCCC#N)cc1 181407980 OHBKMENPDOEHRD-CQSZACIVSA-N 260.381 3.676 30 20 CHED N#Cc1cccc(F)c1Cc1nc(C2CCCCC2)no1 508013164 NKVSNKAQWWRHIA-UHFFFAOYSA-N 285.322 3.719 30 20 CHED CCCC[C@@H](C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416091842 AVNMJSAVJSLZIV-CXAGYDPISA-N 284.403 3.878 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)NCC1(C#N)CCC1 416348351 TXZJVTXHUAHYGH-OAHLLOKOSA-N 276.424 3.793 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCOc2ccccc21 134475155 RAEWQZJQBCKLOX-GFCCVEGCSA-N 282.318 3.676 30 20 CHED CCC1(C/N=C(/O)c2csc(O)n2)CCCCC1 329930988 IBFBGGXDRAEOBL-UHFFFAOYSA-N 268.382 3.514 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cnc(CC)s1 414540348 UNWMCNPEZJHPPU-HNNXBMFYSA-N 286.444 3.983 30 20 CHED CCCOc1cc(C)ccc1NC(=O)N(C)[C@@H](C)CC#N 86283308 LPWGUFGFRZXDBC-ZDUSSCGKSA-N 289.379 3.550 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccc(C#N)s1 131307100 DEBQTQWIYQKGQV-SUMWQHHRSA-N 282.412 3.998 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1cc(F)ccc1F 503580738 DZRGMAJSFDYCBP-LBPRGKRZSA-N 286.325 3.730 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](Nc1cncc(C#N)n1)CC2 420613994 VCFHKGONHYMXIM-INIZCTEOSA-N 278.359 3.571 30 20 CHED N#Cc1ccc(Cl)cc1Oc1ncnc2c1CCCC2 610785226 ZJBCEJWGZHLSGH-UHFFFAOYSA-N 285.734 3.673 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1ccc(C#N)cc1 45026883 IKQCBYNYTXUKBC-UHFFFAOYSA-N 279.343 3.531 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(NCC(F)(F)F)c1 425284722 QWOLEYLPMAVIBH-ZDUSSCGKSA-N 299.296 3.539 30 20 CHED Cc1ccc(C)c(CNCc2ccc(C#N)s2)c1 421353890 QKFOMFAJBRCKSZ-UHFFFAOYSA-N 256.374 3.526 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(OCC3CC3)nc2)no1 515016611 NIQVGFYOZSDHOJ-KRWDZBQOSA-N 299.374 3.774 30 20 CHED C#Cc1cccc(NC(=O)CCSCCCC)c1 132472169 YMCBBQIMJMZREM-UHFFFAOYSA-N 261.390 3.530 30 20 CHED C=CCN(CC=C)C(=O)Cc1cccc2ccccc12 47465410 DIKSAHKBVFHYHM-UHFFFAOYSA-N 265.356 3.583 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)cc1 610271514 VJTBLRSNGVILIS-DLBZAZTESA-N 254.377 3.617 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNCCCCC#N 190945954 ZAIINAZUKBDAAA-UHFFFAOYSA-N 270.298 3.797 30 20 CHED COc1ccc([C@@H](C)NCCCCC#N)c(Cl)c1 424273632 UCHHAVIFERGRCL-LLVKDONJSA-N 266.772 3.693 30 20 CHED CC(C)N(C)c1ccccc1NC(=O)c1ccc(C#N)s1 425287887 KEYBBMYQGLOXTO-UHFFFAOYSA-N 299.399 3.717 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](CC)CCC 195725838 BZIUPFFQENRSDO-INIZCTEOSA-N 290.382 3.549 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1scc(C)c1C#N 335992044 UVKJUTKDHMBOAU-UHFFFAOYSA-N 274.320 3.628 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NCc1cccc(C#N)c1 427594475 QPQLFLMZCKHVTC-LJQANCHMSA-N 278.399 3.915 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(C#N)c(C)n1 334276931 CZSNLYXNGZFGRK-UHFFFAOYSA-N 299.761 3.500 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H](CC(F)(F)F)C1 420946472 LVTSOGAXVWMXCO-NSHDSACASA-N 262.319 3.591 30 20 CHED C=CCCCC(=O)NCc1cccc(C)c1Br 191725546 MPPAMZJJNBRJFG-UHFFFAOYSA-N 296.208 3.730 30 20 CHED C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 90180662 NXXQPFKMDQNXGB-GFCCVEGCSA-N 281.321 3.835 30 20 CHED Cc1ccc(C[C@@H](C)NCc2ccc(C#N)cc2)c(C)c1 237512388 PZXDFNXZXHJKHB-MRXNPFEDSA-N 278.399 3.896 30 20 CHED C=CCC[C@@H](NCC1([C@@H](O)c2ccccc2)CC1)C1CC1 90770743 VOLUVIRVFWLYOX-MSOLQXFVSA-N 285.431 3.835 30 20 CHED C#Cc1cccc(NCc2occc2Br)c1 231748560 ZXTNXMXSHOLFBF-UHFFFAOYSA-N 276.133 3.636 30 20 CHED Cc1cc2occ(/C(O)=N/[C@H](C)C[C@H](C)O)c2cc1C 331035420 ZHUUMFRCLPCSFD-NEPJUHHUSA-N 275.348 3.514 30 20 CHED C=C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 334483592 ZFFJOPDIKWRHNE-UHFFFAOYSA-N 250.729 3.524 30 20 CHED C[C@H]1CN(c2ccc(Cl)cc2C#N)CCC1(F)F 291080713 ICTYFCZFCWKJBY-VIFPVBQESA-N 270.710 3.693 30 20 CHED Cc1ccc(C#N)cc1OCc1nccn1-c1ccccc1 434648948 QZLKQKOFGPUXIR-UHFFFAOYSA-N 289.338 3.631 30 20 CHED C=CCCCCCN(C)C(=O)CSCc1cscn1 437262542 KSQIRFXMKOOHQY-UHFFFAOYSA-N 298.477 3.581 30 20 CHED C=CCC[C@@H](NC(=O)N1C[C@@H](C)[C@@H](C)C1)c1ccccc1 435108258 LAWZRRYHEORNTG-HLLBOEOZSA-N 286.419 3.991 30 20 CHED C[C@@H]1CC[C@@H](CNc2nc(Cl)c(C#N)s2)C1 230431048 ZUXVJKIZYANRFQ-HTQZYQBOSA-N 255.774 3.516 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1 96766122 GHJZZRYNHIDCLG-YVMONPNESA-N 269.250 3.733 30 20 CHED CCc1ccc(CN(C)C(=O)c2ccc(CC#N)cc2)cc1 340038065 SEEUZBNVZDKYFT-UHFFFAOYSA-N 292.382 3.587 30 20 CHED C=CCC(C)(C)c1noc([C@H](CCC)OCC)n1 528203008 SLWPKXMFVFPJPE-NSHDSACASA-N 252.358 3.801 30 20 CHED C=CC[C@H](CO)N[C@@H]1CCc2c(Cl)cc(Cl)cc21 349744450 MQZPPQCDQSXQTE-QMTHXVAHSA-N 286.202 3.507 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 438852540 BRRPHODKUDPJFC-HYVNUMGLSA-N 299.418 3.909 30 20 CHED CSc1ccc(CCNCc2cc(C#N)cs2)cc1 435751744 UNJZFFMATVWHOG-UHFFFAOYSA-N 288.441 3.674 30 20 CHED Cc1cccc2sc(C(=O)N[C@H](C)CC#N)c(Cl)c12 604573785 LQCNVWIIIJNKGG-SECBINFHSA-N 292.791 3.895 30 20 CHED COc1ccc(C(C)=NNc2ccc(Cl)cc2)c(O)c1 606346859 IMYPDVBRSJTSBX-UHFFFAOYSA-N 290.750 3.890 30 20 CHED Cc1c(C#N)cccc1NC(=O)CC1(c2ccccc2)CC1 528867136 XZSXTLLNVGWZGI-UHFFFAOYSA-N 290.366 3.927 30 20 CHED Cc1cc([C@H](C#N)C(=O)c2ccc(C)c(Cl)c2)nc(C)n1 348559804 YWJWVQYECIEXFC-ZDUSSCGKSA-N 299.761 3.545 30 20 CHED C[C@H]1c2c(F)cccc2CCN1C[C@H](C)CCC#N 602468186 JXBZLUHKPGIDEI-OLZOCXBDSA-N 260.356 3.685 30 20 CHED COc1ccc(C[C@H](C)CN(C)C[C@H](C)CCC#N)cc1 602478771 AFZUCERVXRPYPT-CVEARBPZSA-N 288.435 3.745 30 20 CHED Cc1ccc(C[C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 442774586 ZPVJKDXRXMGDHS-YQQAZPJKSA-N 256.393 3.516 30 20 CHED CCC1(CC)CCC(NC(=O)NCCCCC#N)CC1 352941584 GVVVJGUQDHNWIY-UHFFFAOYSA-N 279.428 3.728 30 20 CHED CC[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)cc1 355684657 QYDJIZAKLOGJCH-GOSISDBHSA-N 282.362 3.981 30 20 CHED CCN(CCC#N)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 448773835 WWYIUOUFDCMPJT-IAGOWNOFSA-N 284.403 3.723 30 20 CHED CSc1ccc(CN[C@@H](C)c2cccc(C#N)c2)o1 603426378 MBIOUMOZAHGVCK-NSHDSACASA-N 272.373 3.724 30 20 CHED C=CCN(CC=C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 355446829 LNZQANNVSOXPPR-MRXNPFEDSA-N 286.419 3.613 30 20 CHED C=CCSc1ccccc1C(=O)N(C)C1CCC1 353470376 IJNAEGSMTJHWCZ-UHFFFAOYSA-N 261.390 3.589 30 20 CHED CC(C)(C#N)CC(=O)NCc1cc(Cl)sc1Cl 355595855 GLVFTRKMLZWEGC-UHFFFAOYSA-N 291.203 3.611 30 20 CHED C=C(CC)CSCC(=O)Nc1ccc(C)cc1C 539095005 JYDBUWHBMLVWBD-UHFFFAOYSA-N 263.406 3.941 30 20 CHED CCCc1ccccc1NC(=O)c1ccc(CC#N)cc1 534634625 RIHVSKPPDPLBGU-UHFFFAOYSA-N 278.355 3.957 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(F)cc1 353618484 GRHRRKZUBMUNHN-QGZVFWFLSA-N 298.361 3.947 30 20 CHED Cc1nc(COc2ccc(C(F)(F)F)c(C#N)c2)cs1 619265196 DISPUTDMUFFSKO-UHFFFAOYSA-N 298.289 3.921 30 20 CHED CCC1(CC)[C@@H](N(C)CC(C)(C)CCC#N)C[C@H]1OC 355205852 KNKRQHYKVWUMGF-LSDHHAIUSA-N 280.456 3.842 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1cccc(C(F)F)c1 530423034 TZHAMQPOCYXPCV-IBGZPJMESA-N 285.359 3.813 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(CC(F)(F)F)cc1 353233850 XMRBRAOXAXLXIJ-ZDUSSCGKSA-N 284.281 3.670 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1F 448898421 VQOQTXUINMQHGY-DVOMOZLQSA-N 288.366 3.723 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1c(Cl)oc2ccccc12 449520239 OWKPVZGZGOQLPT-OLZOCXBDSA-N 277.751 3.519 30 20 CHED C=CCCC(=O)N(C)c1cccc(OC(F)(F)F)c1 264082626 ICQKHZXEGKZLDE-UHFFFAOYSA-N 273.254 3.514 30 20 CHED C[C@H]1CN(C(=O)NCC(C)(C)CCC#N)c2ccccc21 358710935 POWVCSBALZLLLK-ZDUSSCGKSA-N 285.391 3.650 30 20 CHED Cc1ccnc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 616749770 XCRKRNSSBDKDIL-UHFFFAOYSA-N 279.387 3.672 30 20 CHED CC[C@H](c1ccc(F)cc1)N1CCC[C@](C)(C#N)C1 612166340 SEGSZJNJUVNDDR-HZPDHXFCSA-N 260.356 3.902 30 20 CHED N#CCc1cccc(NC(=O)NCCCC2CCCC2)c1 455917881 KEASZKKLTFGCJP-UHFFFAOYSA-N 285.391 3.845 30 20 CHED C=CCN(C(=O)NC[C@H](CC)c1ccccc1)C1CC1 539016929 UZMLGNFVCVEGRN-AWEZNQCLSA-N 272.392 3.540 30 20 CHED CC1(C)CN(c2cccc(C#N)n2)[C@@H]1c1ccccc1 611116131 SXMFZCNFLXRHQR-MRXNPFEDSA-N 263.344 3.541 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC#N)cc2)C1 456996014 HTUUVXFUBGKMNI-GRDNDAEWSA-N 284.403 3.697 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C(C)C)nc2C)C1 617778666 LNKGGMCWNJEHSA-OAHLLOKOSA-N 286.419 3.942 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H](C)c1ccc(Cl)s1 610540925 QBRADSIEFXXZDN-ZJUUUORDSA-N 284.812 3.559 30 20 CHED C=CCC1(NC(=O)CC[C@@H](C)SC)CCCCC1 456374424 WXCUNNWDZSAQTA-CYBMUJFWSA-N 269.454 3.913 30 20 CHED CC(C)(C)CN(Cc1ccccc1)C(=O)NCCCC#N 273039914 DSGDLRTVZRDUHJ-UHFFFAOYSA-N 287.407 3.548 30 20 CHED C=C(CC)CNC(=O)CCCSc1ccc(OC)cc1 456815227 XDMVXAOZCLAUIR-UHFFFAOYSA-N 293.432 3.650 30 20 CHED CO[C@@H]1CCC[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 540335197 MJHMOSULFXMKKW-BXUZGUMPSA-N 298.308 3.804 30 20 CHED C=C(C)CCNC(=O)c1coc2ccc(CC)cc12 452720654 XLQQWGSDEHNYAC-UHFFFAOYSA-N 257.333 3.691 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@]1(C)CC(C)C)OCC 452507904 HOQLCVIGAHTKGS-WBVHZDCISA-N 281.440 3.785 30 20 CHED C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1C 456006880 CKXFZZDBDUCYSJ-LSDHHAIUSA-N 298.430 3.631 30 20 CHED CN(CCCCC(C)(C)C#N)CCOc1ccccc1F 278142986 NPOAHZLVYGHOSC-UHFFFAOYSA-N 292.398 3.856 30 20 CHED C[C@@H](NC[C@@H](c1ccsc1)N(C)C)c1ccc(C#N)cc1 271900609 VOWNJGMCEKLWOP-DYVFJYSZSA-N 299.443 3.573 30 20 CHED CN(Cc1ccc(OC(F)(F)F)cc1)[C@H]1CC[C@@H](C#N)C1 278701799 SZUMINKAPCOPNS-OLZOCXBDSA-N 298.308 3.709 30 20 CHED CC(C)(CC#N)CNC(=O)CCCc1ccccc1Cl 458040516 KZANOSNNTKPZGE-UHFFFAOYSA-N 292.810 3.719 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1nc2ccccc2o1 540534262 KQGSNRMULRRPNO-ZDUSSCGKSA-N 286.375 3.621 30 20 CHED CC(C)(CC#N)CNC(=O)NCc1ccc2ccccc2c1 458327604 KEEGIBQYFAWHHX-UHFFFAOYSA-N 295.386 3.579 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 456842732 RISMTGCECFNLJF-DZGCQCFKSA-N 288.366 3.530 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](COC)c1ccc(F)cc1 540188962 NNVWRHUXIZYMDO-WOSRLPQWSA-N 265.372 3.704 30 20 CHED Cc1ccc(-c2nc(CN3CCC(CC#N)CC3)co2)cc1 541949615 YHWAYZPCGHLKKV-UHFFFAOYSA-N 295.386 3.776 30 20 CHED C=CCN[C@@H](c1cccc(Cl)c1)c1ccccn1 370878713 DZBCJIUJAXACEV-HNNXBMFYSA-N 258.752 3.600 30 20 CHED C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1cccc(C#N)c1 461749809 YDTNMHROYQHHIU-XJIUQZFPSA-N 284.403 3.603 30 20 CHED C[C@@H](C#N)CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 548448436 UYQFCEZJLNAFNO-FCCIYARUSA-N 288.435 3.649 30 20 CHED CC[C@H](C)[C@H](C)NCc1ccc(C#N)cc1OC(F)F 544431994 FWSRTWHFUBDXPT-QWRGUYRKSA-N 282.334 3.684 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](CC)Oc1cccc(F)c1 467994152 KPVBLWAAWIXXDC-YOEHRIQHSA-N 293.382 3.702 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)[C@@H](C)C1CCCCC1 460543482 MWBKIGXPYQLPQU-ZDUSSCGKSA-N 276.428 3.568 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)C[C@@H]1CC 460369419 LRDJGXSTJVBUDU-ZNMIVQPWSA-N 290.455 3.993 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@H]1CC 465019633 ZHQFYTVFDPPPOR-HUUCEWRRSA-N 266.429 3.953 30 20 CHED C=CCN(c1nnc(CC(C)(C)C)n1CC(=C)C)C1CC1 460380212 MEEUZRSXGJBXOW-UHFFFAOYSA-N 288.439 3.598 30 20 CHED COc1cccc([C@H]2C[C@H](C)CN2c2ccc(C#N)nc2)c1 376357747 YSBMTUQUBFUKHW-SCLBCKFNSA-N 293.370 3.549 30 20 CHED C=CCC[C@H](Nc1cnn(CC(F)F)c1)c1ccco1 285950774 DWYTWBLBBFQOQU-LBPRGKRZSA-N 281.306 3.861 30 20 CHED CCCC[C@H](C)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 289721218 CYOJGKGBAJMERU-ZDUSSCGKSA-N 298.390 3.619 30 20 CHED Cc1cccc(C)c1OCCCN[C@@H]1CCC[C@@H](C#N)C1 463295922 AQZZMRNRECNTNC-IAGOWNOFSA-N 286.419 3.744 30 20 CHED CCC(F)(F)CN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 639504422 RHLJXBVKEXNEQY-RNFRBKRXSA-N 299.205 3.704 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC=C)Cc1ccccc1 466378726 QZDQZFRWCABMHF-MRXNPFEDSA-N 272.392 3.739 30 20 CHED C=C(C)CCc1noc(C[C@@H](C)c2c(C)noc2C)n1 285097634 KWQNKFRDNVIESH-SNVBAGLBSA-N 275.352 3.529 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(OCCC)c(Cl)c1 465151575 AMRSVTOCFRSWLW-JTQLQIEISA-N 282.771 3.825 30 20 CHED N#CCN[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 551428664 WKHXHQBENWLSAC-GJZGRUSLSA-N 262.784 3.869 30 20 CHED CCc1ccc(C2=CCN(C(=O)[C@@](C)(C#N)CC)CC2)cc1 285504129 BBKQHYSAWWMIIU-LJQANCHMSA-N 296.414 3.805 30 20 CHED C=CCOCCCN(C)[C@H](C)c1ccccc1Cl 470720106 PFECEVIEYDTORY-CYBMUJFWSA-N 267.800 3.926 30 20 CHED C=CCCC1(C(=O)N[C@H]2COc3c2ccc(C)c3C)CC1 475589157 ZELNUDZWJYAGFM-HNNXBMFYSA-N 285.387 3.600 30 20 CHED C=CCCCCCCNC(=O)Nc1cccc(OC)c1 806087822 KKSWHBWRQMOSLU-UHFFFAOYSA-N 276.380 3.953 30 20 CHED Cc1nc(C(C)C)oc1C(=O)N(CCC#N)CCC(C)C 292890182 UDBZIEFJFNBEIM-UHFFFAOYSA-N 291.395 3.508 30 20 CHED C=CCOCCCN1CCC[C@@H]1c1ccccc1C 470724294 SIAHDJCOVXEYGH-QGZVFWFLSA-N 259.393 3.725 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccccc1OCCF 297829242 VOMOULKJEYABAK-OAHLLOKOSA-N 265.328 3.576 30 20 CHED C=C(CNC(=O)NCc1cccc(C)c1)c1ccccc1 478803910 WLYRADAUKVXWHR-UHFFFAOYSA-N 280.371 3.508 30 20 CHED C=C(C)CN(Cc1ccc(OC)cc1OC)C(C)(C)C 474152435 HMSSJMYDQCJDNS-UHFFFAOYSA-N 277.408 3.880 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCc2cc(F)ccc21 292313544 QVUCGCNMJKWGKZ-AWEZNQCLSA-N 261.340 3.532 30 20 CHED C=CCCCCNC(=O)NCc1ccc(C)cc1SC 472763140 FNCTVEJFOKWOIA-UHFFFAOYSA-N 292.448 3.872 30 20 CHED N#CCc1ccc(C(=O)Oc2cc(F)ccc2Cl)cc1 801039617 PAWOCDNKKDJFCQ-UHFFFAOYSA-N 289.693 3.764 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@H]1C(C)C 292582301 JVTIISZTLVRAOZ-OAHLLOKOSA-N 285.391 3.765 30 20 CHED C#Cc1ccc(CN(C)[C@H]2CCCc3nc(C)sc32)cc1 809577455 RMQPWUTWHZMRFH-KRWDZBQOSA-N 296.439 3.942 30 20 CHED C[C@H]1CCN(C(=O)CCCC#N)c2ccccc2S1 291190799 PBOIMSBKRSSULX-LBPRGKRZSA-N 274.389 3.598 30 20 CHED CCC(=NN[C@H]1CCSC1)c1c(F)cccc1Cl 807999653 SOSVTPURJZGDAQ-VIFPVBQESA-N 286.803 3.688 30 20 CHED COc1ccc(C(C)=NNc2nccnc2C2CCC2)cc1 807994426 SEJOQWGLVULQPN-UHFFFAOYSA-N 296.374 3.589 30 20 CHED Cc1noc(C)c1/C=C1\C(=O)c2ccccc2[C@@H]1C 809156249 JYTVWUADBSYVSI-JNNKLVPLSA-N 253.301 3.675 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc2c(cc1Cl)OCO2 292614089 CWEMXGJXRHVBOG-UHFFFAOYSA-N 281.739 3.610 30 20 CHED N#Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 808090008 OQZXHPLIBPQGNX-UHFFFAOYSA-N 294.141 3.578 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)[C@H]1c1ccncc1 294078823 YWEAPYWABKNLTP-KRWDZBQOSA-N 295.361 3.675 30 20 CHED CCOCc1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 294362880 AYJIZGYMYQTZAG-SFHVURJKSA-N 298.386 3.636 30 20 CHED CCC[C@H](CC)NC(=O)C[C@@H](CC#N)c1ccccc1 475320822 WXIHSLKJTWWASH-CVEARBPZSA-N 272.392 3.769 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@H]1CCC(C)C 564620786 CFEPVXOHHNYRKK-HNNXBMFYSA-N 290.455 3.822 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(C#N)cc1 295771751 KURBZLVYDTTZIE-QGZVFWFLSA-N 270.376 3.599 30 20 CHED N#Cc1ccc(NC(=O)/C=C/c2cccs2)c(Cl)c1 701159654 FBZQZLCCGKUZGF-GQCTYLIASA-N 288.759 3.925 30 20 CHED C#CC[C@@H](Nc1cc(C)nc(CC)n1)c1ccccc1 804578726 JOBIBHKXMJGUQY-OAHLLOKOSA-N 265.360 3.524 30 20 CHED CC[C@H](OC(=O)CCCC#N)C(C)(C)c1ccccc1 813015013 ADHOAYRSCVDCDJ-HNNXBMFYSA-N 273.376 3.980 30 20 CHED C=C(C)CN(C)C(=O)CCCCCc1ccc(F)cc1 489439334 PJKLAKMMNCOXFP-UHFFFAOYSA-N 277.383 3.963 30 20 CHED C=CC[C@H](C(=O)N(C)[C@H](C)CCC)c1ccccc1 488618769 GZNQRIWHYAMHAJ-ZBFHGGJFSA-N 259.393 3.993 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(F)cc2SC)CC1 646552957 IEMBLRDQAYESQY-UHFFFAOYSA-N 294.395 3.978 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1c[nH]nc1C 814913008 IKCNZKMWLXVKKV-UHFFFAOYSA-N 283.162 3.861 30 20 CHED C=CCN(Cc1cc(O)cc(C(F)(F)F)c1)C(C)C 811456340 LUDKVUHFQYUZFL-UHFFFAOYSA-N 273.298 3.807 30 20 CHED Cc1cc(NCc2ccc([C@H]3C[C@H]3C)o2)cc(C#N)n1 561127234 KSBHVMKQSPWMAS-BMIGLBTASA-N 267.332 3.590 30 20 CHED FC(F)(F)c1csc(NN=C2CC3(CC3)C2)n1 814867962 RHBOABOCKZCPFZ-UHFFFAOYSA-N 261.272 3.504 30 20 CHED Cc1nc(NC[C@H](C)c2nc3ccccc3o2)ccc1C#N 813592842 SVEBKPNOGFJZNC-NSHDSACASA-N 292.342 3.619 30 20 CHED Clc1ccc(C#CCSc2ccccn2)cc1 485291921 QYCLFFQLUBSYHA-UHFFFAOYSA-N 259.761 3.879 30 20 CHED CCC(=NNc1cccc(F)c1[N+](=O)[O-])c1ccco1 814919261 OBDRLWNCIWYDEE-UHFFFAOYSA-N 277.255 3.553 30 20 CHED C(=NOC1CCC1)c1ccccc1OCc1cccnc1 812237288 SIEBDPSFYHRVCE-UHFFFAOYSA-N 282.343 3.564 30 20 CHED C=CCN(C(=O)NC[C@@H]1CCCCC(F)(F)C1)C(C)C 813760773 DIUBUAHKDVUSPZ-CYBMUJFWSA-N 288.382 3.808 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC(F)F)cc1 486774722 QTNVHNCJUBIURM-LBPRGKRZSA-N 296.317 3.860 30 20 CHED Clc1ccc2c(c1)C(=NNc1ccc(Cl)nc1)CO2 814859010 LMNIBWXYKDUDAJ-UHFFFAOYSA-N 294.141 3.597 30 20 CHED CC(C)CNN=C1CCC(c2ccc(O)cc2)CC1 814892260 PLDIRNIKCVMJGA-UHFFFAOYSA-N 260.381 3.651 30 20 CHED C=CCCCCCNC(=O)N(C)CCc1ccccc1 578546509 HHZHPFJNGLJGGB-UHFFFAOYSA-N 274.408 3.617 30 20 CHED C=CCCCCC[C@@H](C)NCc1ncn(-c2ccccc2)n1 815657655 FAESWQKNPBLYJO-MRXNPFEDSA-N 298.434 3.882 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc2cc[nH]c12 573273532 ZWVKNERHLPDVJQ-ZDUSSCGKSA-N 269.348 3.740 30 20 CHED N#CCCCOc1cccc(C=NNc2cccc(F)c2)c1 726736973 BZXVEDBAWLWQNM-UHFFFAOYSA-N 297.333 3.954 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2ccc(C#N)cc2)CS1 814803203 MZYAHUZIVUNYCO-AWEZNQCLSA-N 273.405 3.878 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)s1 488845379 PYUOWRDAKWWGCC-CQSZACIVSA-N 298.411 3.991 30 20 CHED N#CC1(CNC(=O)Nc2cccc(C3CCC3)c2)CCC1 575156695 MWCUGMJINZBKNC-UHFFFAOYSA-N 283.375 3.769 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1cccnc1N1CCCC1 658106518 QFRUNMVNZXSSOL-AEFFLSMTSA-N 299.462 3.906 30 20 CHED C=CCC1(C(=O)N2CCc3cccc(OC)c3C2)CCCC1 653976245 WXXCECDKYPMYEM-UHFFFAOYSA-N 299.414 3.716 30 20 CHED C=CCC1(NCC2CCC3(CC2)OCCO3)CCCCC1 825024360 ODBMAECCNJNJMC-UHFFFAOYSA-N 293.451 3.788 30 20 CHED C=CCCOC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 729072447 KDOZESHRZFAEHO-RRFJBIMHSA-N 268.397 3.583 30 20 CHED CCC[C@@H]1CCCC[C@H]1/N=C\c1ccc(O)c(O)c1O 728232952 YVHNQVNBXVFTOM-VNYHSAJNSA-N 277.364 3.581 30 20 CHED CCCCCN(Cc1ccc(F)cc1)c1cc(C#N)ncn1 574894928 UCCXTRKGPWAKHE-UHFFFAOYSA-N 298.365 3.684 30 20 CHED Cc1ccc(C=NNc2ccc(OCC(F)(F)F)cc2)o1 727261868 JGPZMFBLTWCNMZ-UHFFFAOYSA-N 298.264 3.975 30 20 CHED Cc1cccc2c1CCC2=NNC(=S)Nc1ccccc1 729141143 WLAAJUJELCFLTH-UHFFFAOYSA-N 295.411 3.632 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCCc2c(O)cccc21 579383396 REMGCFFIAOHQPZ-OAHLLOKOSA-N 259.393 3.962 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc(-c2ccccc2)[nH]1 497940526 ZATXJNNATQGSAK-CYBMUJFWSA-N 283.375 3.551 30 20 CHED C#CCCN(Cc1cc2ccncc2s1)CC(F)(F)F 825529987 IRUVYGRAIZFZBJ-UHFFFAOYSA-N 298.333 3.684 30 20 CHED CC#CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 499000298 JUGMZLHGNXDZLJ-NWDGAFQWSA-N 296.197 3.627 30 20 CHED C=CCSCCNC1CC(c2cc(F)cc(F)c2)C1 589168941 LHPLTTLWKCFHPK-UHFFFAOYSA-N 283.387 3.720 30 20 CHED CN(CC(C)(C)C)C(=S)Nc1ccc(C#N)c(Cl)c1 726906855 IJMBTUDAEDSEEU-UHFFFAOYSA-N 295.839 3.886 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C2CC2)C1 588978208 PQYKBJLWMGCGPW-SUMWQHHRSA-N 254.377 3.741 30 20 CHED CN(C(=O)CCCCCC#N)[C@H]1CCc2ccccc21 588274306 IGIFBEAGNGFBPO-INIZCTEOSA-N 270.376 3.606 30 20 CHED C=CC[C@@H](C(=O)Nc1cnn(C(F)F)c1)c1ccccc1 494845948 ORIMRRJYRAYBJT-CYBMUJFWSA-N 291.301 3.577 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]1CCC 829501446 FQJKHIFSXMVQMV-STQMWFEESA-N 289.341 3.617 30 20 CHED C=CCC[C@H](NC[C@@H](CC(C)C)N(C)C)c1ccco1 583570167 GAHFEFUSKMULJJ-CVEARBPZSA-N 278.440 3.853 30 20 CHED C=C(Br)CN1CCc2cccc(F)c2[C@H]1C 738882798 VSSSEIGRXJTIGO-SNVBAGLBSA-N 284.172 3.653 30 20 CHED CC[C@@H](C)N(C(=O)c1cc(C#N)ccc1C)[C@H](C)CC 904247281 DYSRWIWHESDPSH-ZIAGYGMSSA-N 272.392 3.906 30 20 CHED C=CCC(F)(F)c1nc(C[C@]2(C)CC2(Cl)Cl)no1 834865519 JYAMKDNWIUXRSA-SECBINFHSA-N 297.132 3.864 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCc1ccc(C#N)cc1F 734052643 LYHOSEHKDQOVGK-GFCCVEGCSA-N 289.350 3.957 30 20 CHED C/C=C\C(=O)Nc1ccccc1S[C@H](C)CC#N 731333164 XKPXZMAAFFPFTN-ZTYXWKCZSA-N 260.362 3.595 30 20 CHED CC[C@H](NCC1CC(F)(F)C1)c1cccc(C#N)c1 903000510 WFVHLPHKFRMEFY-AWEZNQCLSA-N 264.319 3.644 30 20 CHED C#Cc1cccc(CNC(=O)c2cc(C(C)C)oc2C)c1 837108608 VCVXLBJERVSOQP-UHFFFAOYSA-N 281.355 3.623 30 20 CHED C=CC[C@H](NC(=O)N(CC)CCCC)c1ccncc1 734682175 AOADCMXWIGWAGX-HNNXBMFYSA-N 275.396 3.530 30 20 CHED N#CC1(CCCCSC[C@@H]2CCNC(=O)CC2)CCC1 901793329 JNNQISWOUUZMNX-AWEZNQCLSA-N 294.464 3.500 30 20 CHED CC[C@](C)(C=NNc1ccc(C#N)cc1C(F)(F)F)OC 834976657 NOKZVNJXWRAYMH-CYBMUJFWSA-N 299.296 3.790 30 20 CHED C[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 839054383 NZCCJILDHXHLFM-YWPYICTPSA-N 275.323 3.555 30 20 CHED CN(C(=O)c1ccsc1C#N)C1CCCCCCC1 903016228 QXBQCPLIVFHCCI-UHFFFAOYSA-N 276.405 3.805 30 20 CHED CCc1ccc(C=NN[C@H]2CCc3c(F)cccc32)o1 835020456 MAIMEKULGHYUQN-INIZCTEOSA-N 272.323 3.592 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cncn1C(C)C 901473588 LDLPRYSOHCPGDD-ALCCZGGFSA-N 272.323 3.808 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CCC[C@@H](O)C1 737792677 QMINQRSXVJHSSP-QSOAKEGCSA-N 281.440 3.667 30 20 CHED CSCC1CCC(=NNc2ccc([N+](=O)[O-])cc2)CC1 834914609 QPUNXERJGQAEHC-UHFFFAOYSA-N 293.392 3.916 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)CCCCCC#N 588150457 UFLGILXKVOJIIL-ZIAGYGMSSA-N 250.386 3.545 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCCSC(C)(C)C)c1 836775054 YQCAOGVEGALFRQ-UHFFFAOYSA-N 291.420 3.520 30 20 CHED C#CCC(C)(C)C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 833612210 OMNLTKFMOQUPEQ-IAGOWNOFSA-N 283.415 3.736 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)OCC(C)(C)CCC#N 835386607 LWRRMHNUOHHHBS-CHWSQXEVSA-N 251.370 3.686 30 20 CHED CC(C)CN(CC(C)C)C(=O)/C=C\c1ccccc1C#N 914745044 CFJYGFIXDLNDHI-KTKRTIGZSA-N 284.403 3.712 30 20 CHED Cc1c(C(=O)N2CC(C(C)C)C2)sc2ccc(C#N)cc12 590313390 TWGLYBKAQJBGFJ-UHFFFAOYSA-N 298.411 3.809 30 20 CHED COCC[C@@H](c1ccccc1)N1CCC(CCC#N)CC1 592135175 POAIKTRERBEQEW-SFHVURJKSA-N 286.419 3.780 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC(C2CC2)CC1 590008736 ZQHHBKZPDAZHEE-UHFFFAOYSA-N 274.795 3.834 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc(C)cc1 745624933 PSDDGDQEPXWDCW-UHFFFAOYSA-N 282.347 3.814 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)NCC#Cc1ccccc1 590084215 XGOQELAJQYEEKB-ZWKOTPCHSA-N 298.430 3.696 30 20 CHED C=C[C@H](C)NC(=O)c1cnc(-c2ccccc2Cl)s1 674952637 MWYHCGIMCRNUJD-VIFPVBQESA-N 292.791 3.768 30 20 CHED CC(C)C[C@@H](C(=O)NCCCC#N)c1ccc(Cl)cc1 597495353 QUWUTYQHBSSDAG-OAHLLOKOSA-N 292.810 3.890 30 20 CHED C#CCN(C(=O)NC1C[C@@H](C)C[C@H](C)C1)C1CCCCC1 740491350 WYRACCPPIQAEBS-GJZGRUSLSA-N 290.451 3.789 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@H](C)CCC 741636565 OCAIPOVCAQIUEK-GFCCVEGCSA-N 277.339 3.603 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 593982330 GGSMDFXBZPHWCF-JTOWHCCKSA-N 298.430 3.678 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCO[C@H]1c1ccncc1 845264094 VRLDAPPRLRNZGE-CVEARBPZSA-N 291.391 3.673 30 20 CHED C=CC[C@@H]1CCC(=NNc2ccc(C(=O)O)cc2)C1 844562709 JEQJJYLBOZANKY-LLVKDONJSA-N 258.321 3.529 30 20 CHED CCC(C)(C)C1CCC(NC[C@@H](O)CC(C)(C)C#N)CC1 598705130 ZBRWTGJJEQAJIA-GPANFISMSA-N 294.483 3.872 30 20 CHED N#CCCCCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 599516627 WKTCHOWXKFTUQE-CQSZACIVSA-N 278.346 3.838 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1ccco1)c1ccc(C)c(C)c1 845478081 UVUTUKSJGODQPW-HNNXBMFYSA-N 296.370 3.979 30 20 CHED Cc1cccc(-c2nnc(S[C@H]3CC[C@H](C#N)C3)o2)c1 590708731 HELUNARHDRQVHH-AAEUAGOBSA-N 285.372 3.829 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 592754211 DZDFSZGBQODTJR-PBHICJAKSA-N 270.376 3.536 30 20 CHED C=CCOc1cccc(NC(=O)CSCCCC)c1 919837735 KXTJQVOIHXQBLF-UHFFFAOYSA-N 279.405 3.723 30 20 CHED Cc1cc([C@@H](C)/N=C\c2cccc(O)c2O)c(C)s1 914701937 SFXDPLQAERAPCY-NUEDXCKTSA-N 275.373 3.956 30 20 CHED CCCCCC[C@@H](C)C(=O)N(CCC#N)CC1CC1 742066305 UFMSHNWRKHJKJP-CQSZACIVSA-N 264.413 3.745 30 20 CHED C#C[C@@H](C)OC(=O)c1ccccc1N(C)c1ccccc1 744178537 CPTVISNFLAQVRP-CQSZACIVSA-N 279.339 3.633 30 20 CHED CCCCCC[C@@H](C)C(=O)N[C@@H](C#N)CC(C)C 742061741 ISKXWANCZKQVEH-ZIAGYGMSSA-N 252.402 3.647 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(OCC#N)c2)C1(C)C 915740890 QUTOCRDMKQPZLR-CVEARBPZSA-N 298.386 3.766 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 597995548 TZTCXMSNWWRPRJ-SJLPKXTDSA-N 296.414 3.889 30 20 CHED CCCNc1ccc(Cl)cc1NC(=O)[C@@H](C#N)CC 593529850 GMUCHHRYJGKDMB-SNVBAGLBSA-N 279.771 3.650 30 20 CHED COc1ccc(CCNN=C/C=C/c2ccc(F)cc2)cc1 747750411 TWJFRMSJDNSCTA-HBYIXLRUSA-N 298.361 3.666 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H](C)C(C)(C)C 748922096 CSWLOCSKQNVUAA-LBPRGKRZSA-N 259.349 3.592 30 20 CHED CCCCCCCCNC(=N)NC[C@@H]1Cc2ccccc21 849071519 CURSHNQPUIDNKV-INIZCTEOSA-N 287.451 3.801 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)cc1 680124435 GWMOMPHSDVIOTO-OAHLLOKOSA-N 287.403 3.760 30 20 CHED COc1cccc(/C=N/C[C@@H](C)c2ccc(F)cc2)c1O 920176990 BXJNYRUCGNACKK-ZGXHQARYSA-N 287.334 3.763 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc3c(c1)OCCO3)C2=O 921264538 VOYICXLTPMYPGF-OQLLNIDSSA-N 292.334 3.589 30 20 CHED Cc1oc2ccccc2c1C=NNc1ccc(C(=O)O)cc1 758082667 FCQROFUSUFIYLQ-UHFFFAOYSA-N 294.310 3.885 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C1CC1)[C@H](C)C#N 855585108 ZCGGHVCDOZMHQK-KGLIPLIRSA-N 264.413 3.886 30 20 CHED CC[C@H](NC(=O)N1CCC[C@H](C#N)C1)c1cc(C)ccc1C 923457720 KBIYSYGWYODBPA-WBVHZDCISA-N 299.418 3.700 30 20 CHED C=C(C)[C@@H](CC(=O)OC/C=C\c1ccccc1)OCC 756473581 SMMPAFRGVJFZIK-JXMNSVBMSA-N 274.360 3.614 30 20 CHED C=CCCCCCCNC(=O)N1CCC(F)(F)C[C@H]1C 858457733 UFXJMMHVUNDMMD-CYBMUJFWSA-N 288.382 3.952 30 20 CHED COc1ccc([C@@H](C)C(C)=NOCC2CCC2)cc1OC 853440757 HPESXDGYGXKTKE-LBPRGKRZSA-N 291.391 4.000 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1sc2ccc(C#N)cc2c1C 854704282 OULFOJMLHBBZBX-KRWDZBQOSA-N 296.395 3.613 30 20 CHED C#CCCOC(=O)N[C@@H](C)c1csc2ccccc12 858950194 HQILSNAMVKUIGJ-NSHDSACASA-N 273.357 3.712 30 20 CHED C#CC[C@H](NC(=O)/C=C(/C)c1ccccc1)c1ccccc1 757574964 AFKINAKAVSVFRV-BDEQVGPYSA-N 289.378 3.971 30 20 CHED C[C@@H](CNCc1ccc(C#N)cc1)c1cccc(F)c1 921069512 NGOMFBJWWOPUCL-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED C=CCCCOC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 756756033 PCIVQYCFIYOIJQ-GFCCVEGCSA-N 289.158 3.536 30 20 CHED C#C[C@](C)(CC)NC(=O)c1cccc(-c2ccccn2)c1C 854698735 FWYIIOHODYYOCJ-LJQANCHMSA-N 292.382 3.589 30 20 CHED CCS[C@@H]1CCC[C@@H](N[C@@H](C)CC(C)(C)C#N)C1 925218696 OALIXSXFOYRVHR-BFHYXJOUSA-N 268.470 3.969 30 20 CHED CN1CCCC(=NNc2ccc(C(F)(F)F)cc2)CC1 758120622 UBFICGKBJJAMNE-UHFFFAOYSA-N 285.313 3.589 30 20 CHED C#CCCCC(=O)N[C@H](C)c1oc2ccccc2c1C 757854435 OMGLJVNMLLGXDY-CYBMUJFWSA-N 269.344 3.722 30 20 CHED CC(CCCC(F)(F)F)=NN1CCCC[C@@H]1C 853379869 MSRIBLZPCOSRCB-NSHDSACASA-N 250.308 3.969 30 20 CHED Cc1cccc(C)c1/C=C1/Cc2c(O)cccc2C1=O 755584745 OBUSYQNHFMVPOG-LCYFTJDESA-N 264.324 3.831 30 20 CHED CC(C)CC(=O)OCC#Cc1ccc(C(F)(F)F)cc1 750875488 QGHRBJPMAYBKTC-UHFFFAOYSA-N 284.277 3.646 30 20 CHED COc1ccc2oc(C=NNc3cccc(C#N)c3)cc2c1 763353675 FESOJLODYTYYOE-UHFFFAOYSA-N 291.310 3.759 30 20 CHED O=C1/C(=C\c2cncs2)Cc2c(Cl)cccc21 767729203 NRFAKPDVDMHWSH-YWEYNIOJSA-N 261.733 3.619 30 20 CHED C#CCCc1noc([C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 762015726 CFNAIIOMOGYCJS-MELADBBJSA-N 258.365 3.709 30 20 CHED Cc1ncc([C@@H](C)NCCCCC2(C#N)CCC2)s1 931467588 KJQJAJCEXPIJFS-GFCCVEGCSA-N 277.437 3.966 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H]1CCCCS1 768853601 UNDWWXHUGKDCPM-GFCCVEGCSA-N 269.410 3.535 30 20 CHED CC[C@H](NCC1(CC#N)CC1)c1cc(F)ccc1OC 932468887 LVCUVMYEXPNXNR-AWEZNQCLSA-N 276.355 3.569 30 20 CHED C#Cc1cccc(N(C)Cc2ccc(C(F)(F)F)cn2)c1 769734627 WLBPQTHUUIQFOJ-UHFFFAOYSA-N 290.288 3.718 30 20 CHED CCSCC(=NNc1cccc(C)n1)c1ccccc1 863160123 RPGHINFWSMFNKW-UHFFFAOYSA-N 285.416 3.959 30 20 CHED CCCCCCCNc1nn(-c2ccc(C#N)cn2)cc1C 763392452 HWYNXYXBWJSAPS-UHFFFAOYSA-N 297.406 3.830 30 20 CHED COc1cccc(/C=N/[C@H]2CCCc3sccc32)c1O 767335806 APXOFTNMILKTOG-VZWMTCDZSA-N 287.384 3.959 30 20 CHED N#CC1(c2nc(C3CCCCCCC3)no2)CCC1 762364819 XWRJBXWEHMEADN-UHFFFAOYSA-N 259.353 3.843 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC(C(F)F)C2)c(Cl)c1 766020292 BOPUYQKWWLSEQP-UHFFFAOYSA-N 289.669 3.691 30 20 CHED C=CCCC(C)(C)NCc1cccnc1Br 865634736 HSWASRHAINQUGV-UHFFFAOYSA-N 283.213 3.679 30 20 CHED CCOc1ccccc1C=NOCc1ccc(Cl)nc1 760420045 IYPOXOVXRJCZMA-UHFFFAOYSA-N 290.750 3.684 30 20 CHED CC(=NNc1ccc(C)nn1)c1cccc(C(C)C)c1 863092439 VUGNOJWDZCPJEA-UHFFFAOYSA-N 268.364 3.745 30 20 CHED FC(F)(F)CNN=Cc1ccc(Oc2ccccc2)o1 769822602 VNECPMIUHSPISO-UHFFFAOYSA-N 284.237 3.558 30 20 CHED CC(=NOC1CCOCC1)c1ccc(C2CCC2)cc1 872366944 MIAQDJVBFVNOLM-UHFFFAOYSA-N 273.376 3.874 30 20 CHED COc1ccc(CC(C)=NOC2CCCCC2)cc1OC 777458933 LMHUSCGKJJFLTP-UHFFFAOYSA-N 291.391 3.972 30 20 CHED Cc1ccccc1-c1noc(Cc2ccccc2CC#N)n1 776803464 YXJHHIHULXMXNC-UHFFFAOYSA-N 289.338 3.702 30 20 CHED C=C(CC)COC(=O)c1ccc(N2CCCCCC2)nc1 773479461 CSCVCWOZZLVBPT-UHFFFAOYSA-N 288.391 3.585 30 20 CHED C=C(C)[C@H](N[C@@H](C)C[C@@H]1CCOC1)c1ccc(F)c(F)c1 775559440 ZBVSMQWLWUFMFO-DCGLDWPTSA-N 295.373 3.987 30 20 CHED C=C[C@@H](CC(=O)O[C@@H](C)c1ncc(C)o1)c1ccccc1 771036577 QDIWUZIODYZYIL-KBPBESRZSA-N 285.343 3.947 30 20 CHED C[C@H](Cc1ccccc1Cl)N[C@@H]1CC[C@H](C#N)C1 770003933 MVFOQGUSCYRFRO-MBNYWOFBSA-N 262.784 3.553 30 20 CHED Cc1ccc([C@@H](O)CN[C@@H](CCC#N)c2ccccc2)cc1 775553845 RCIMKMILXRKZLG-OALUTQOASA-N 294.398 3.663 30 20 CHED C[C@@H](CC(=O)OCC1(C#N)CC1)Cc1ccc(Cl)cc1 775881987 RTLQNFFEZZOHNY-GFCCVEGCSA-N 291.778 3.756 30 20 CHED CC(C)(C#N)CCOC(=O)CC(C)(C)c1ccccc1 776379935 RYAKWFMXDBIRNS-UHFFFAOYSA-N 273.376 3.837 30 20 CHED N#CC1(COC(=O)[C@H](OC2CCCC2)c2ccccc2)CC1 775855293 NTYVKDLWHRJHCC-MRXNPFEDSA-N 299.370 3.534 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OCC)c(OC)c1 779741519 CZIAWJFDQRUGCV-UHFFFAOYSA-N 289.375 3.616 30 20 CHED CN(C(=O)[C@@H]1CC12CCCC2)c1ccc(C#N)c(Cl)c1 876167782 XVUHELSEUDMVIO-ZDUSSCGKSA-N 288.778 3.755 30 20 CHED C[C@@H](NC(=O)N1[C@H](C)CCC1(C)C)c1ccc(C#N)cc1 878421620 AQCOPKVYPXCPIT-CHWSQXEVSA-N 285.391 3.592 30 20 CHED CC(C)[C@H](CC(=O)OCC1(C#N)CC1)c1ccccc1 775855334 OIYFGPRWROATEO-HNNXBMFYSA-N 271.360 3.663 30 20 CHED C=C(CC)CN1C(=O)S/C(=C\c2cccs2)C1=O 773207542 HFDJTIKZDFIDFG-XFFZJAGNSA-N 279.386 3.751 30 20 CHED C=CCN(C(=O)[C@H](F)Cc1ccccc1)c1ccccc1 777930895 NXMHHXQQOQZFMP-QGZVFWFLSA-N 283.346 3.786 30 20 CHED CC(C)(C#N)CCOC(=O)C1CCCCCCC1 776390175 TXKFVSVBQNYJJZ-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CC(C)(C)c1ncc(C=NNc2ccc3[nH]ncc3c2)s1 779820951 PVAXYMRJTATRGQ-UHFFFAOYSA-N 299.403 3.763 30 20 CHED C#CCCCCCC(=O)Nc1ccc(F)cc1OCC 779854260 SLLVCUSHHHCWOO-UHFFFAOYSA-N 277.339 3.747 30 20 CHED O=C(O)c1cccc(/C=C/C(=O)c2cc3c(s2)CCC3)c1 774135356 JQCFAWVGPAOZDF-BQYQJAHWSA-N 298.363 3.831 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OC/C=C/c1ccccc1 775071390 AFKJYNPFZQGENQ-KYMGNXKASA-N 289.334 3.828 30 20 CHED C[C@H](CCNC(=O)c1cc(C#N)ccc1F)CC(C)(C)C 1128014563 WDAPFHSKJVJEHL-GFCCVEGCSA-N 290.382 3.890 30 20 CHED C[C@H](CN(C)C(=O)c1cc(C#N)ccc1F)c1ccccc1 1125764615 PWRLYBOXLVYWRA-CYBMUJFWSA-N 296.345 3.573 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1ccsc1C#N 887955090 NKXOUVJWGZDIQU-UHFFFAOYSA-N 284.384 3.509 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNCCc1ccncc1 789093700 HENPNFMOHVJMIG-GDBMZVCRSA-N 273.424 3.662 30 20 CHED CCSc1ccccc1C(C)=NOC[C@@H]1CCOC1 788031436 DXUDYXPGCHHRPI-CYBMUJFWSA-N 279.405 3.576 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NNC1CCCCC1 786042171 MAJZPZCFFINFNW-UHFFFAOYSA-N 289.379 3.826 30 20 CHED C=CCNC(=S)Nc1ccc(OC(C)C)cc1Cl 780230511 PDMKUAWIDFXHSP-UHFFFAOYSA-N 284.812 3.600 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)CC1 890321045 RHMYYXNGPVCBFF-PWSUYJOCSA-N 275.314 3.532 30 20 CHED N#C[C@H](OC(=O)c1cc(F)ccc1F)C1CCCCC1 788052033 SOVJYLPKSMPADK-AWEZNQCLSA-N 279.286 3.594 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)OCCCC(C)(C)C#N 784811207 XWUWKHWKQNNYDZ-DOMZBBRYSA-N 251.370 3.542 30 20 CHED COc1ccc(NN=C(C)c2cc(C(=O)O)ccc2C)cc1 788436563 AMVGUIIAGSOKAG-UHFFFAOYSA-N 298.342 3.538 30 20 CHED C#CCC1(C(=O)Nc2ccc(F)c(C#N)c2)CCCCC1 788207325 DRTSCEUJIOFEIE-UHFFFAOYSA-N 284.334 3.610 30 20 CHED C#C[C@H](C)NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 788534939 SMEUKRFABJDLGT-LSDHHAIUSA-N 293.366 3.578 30 20 CHED C=CC(C)(C)CC(=O)Nc1nccc2c([N+](=O)[O-])cccc12 892647047 BHUUYNDHOFXDEP-UHFFFAOYSA-N 299.330 3.684 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)C1(C#N)CCCCC1 890610817 OEULIMHWCOAQCW-MRXNPFEDSA-N 282.387 3.954 30 20 CHED CC[C@H]1CCC[C@@H](C=NNC(=S)Nc2ccccn2)C1 783857083 RVGSLTJQDFGASB-QWHCGFSZSA-N 290.436 3.570 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ncnc2ccsc12 783854920 AVNVNPNXAALEIK-WDEREUQCSA-N 274.393 3.915 30 20 CHED C=C1CC(c2noc(CCc3cc(F)ccc3F)n2)C1 896881861 OHQLBINNSJFTMK-UHFFFAOYSA-N 276.286 3.567 30 20 CHED Fc1cc2nc(NN=C3CCC4(CC3)CC4)[nH]c2cc1F 792630787 JUKQNRXJKMVMNH-UHFFFAOYSA-N 290.317 3.963 30 20 CHED COc1cccc(/C=N\[C@H]2C[C@H](c3ccccc3F)C2)c1O 797785180 VWILKKUFUQETCX-GMBKVOKTSA-N 299.345 3.905 30 20 CHED C[C@H]1/C(=C\c2cn(C)nc2C2CC2)C(=O)c2ccccc21 899373930 KVXFHIXZOFPJKT-LKBVRNOZSA-N 278.355 3.681 30 20 CHED N#Cc1ccc(C2CCN(Cc3ccco3)CC2)cc1 897589555 OBBGKBLNRUVYEY-UHFFFAOYSA-N 266.344 3.531 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H]1CCc2c(Cl)cccc21 797002663 QDGKCNBDVFJKEB-UKRRQHHQSA-N 277.751 3.810 30 20 CHED O=C1/C(=C\c2ccsc2Cl)Cc2c(O)cccc21 790216385 ZGKFULGDNNTHBL-TWGQIWQCSA-N 276.744 3.930 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)Cc2cccs2)n1 70140891 HIMIMPKBZBDGJI-LBPRGKRZSA-N 271.389 3.675 30 20 CHED Cc1ccc(C=NNCc2c(Cl)cccc2Cl)nc1 793114917 OGNOQXNTFGESKD-UHFFFAOYSA-N 294.185 3.821 30 20 CHED CC[C@H](COc1ccc(C#N)cc1C)CC(F)F 596253238 BFQJQSFTPACJLD-NSHDSACASA-N 253.292 3.927 30 20 CHED Cc1cc(N[C@H]2CC[C@H](C#N)C2)ccc1OC(C)C 799724437 MHZCQYTZVGYANK-ZFWWWQNUSA-N 258.365 3.886 30 20 CHED CC(=NNc1ncncc1F)c1ccc(C(C)(C)C)cc1 793224904 BJKSNDLLXLTWGU-UHFFFAOYSA-N 286.354 3.749 30 20 CHED C#CCN(C)C(=O)C1(C2CCCCC2)CCCCC1 790967072 ALVKUYMKWUYRMY-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CCCCCCCC(=O)N[C@@H](CCO)C1CCCCC1 725027037 IFZXSBLVYDBZBI-INIZCTEOSA-N 283.456 3.794 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(C(F)F)cc2)cn1 794935724 SXLVGEBZEVXICQ-VMPITWQZSA-N 276.286 3.737 30 20 CHED C#CC[C@@H](OC(=O)c1sccc1Cl)c1ccccn1 796964944 KMUXUWVTUSYEAP-GFCCVEGCSA-N 291.759 3.718 30 20 CHED Clc1cccc(NN=Cc2c[nH]c3ccccc23)n1 793181040 GWHGJVYLSOSGTP-UHFFFAOYSA-N 270.723 3.662 30 20 CHED COc1ccccc1CON=Cc1sccc1Cl 799118484 IFFZDKRFOUFYHA-UHFFFAOYSA-N 281.764 3.961 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(C)C 799047927 PKXIQDPLOOOJDM-XJKSGUPXSA-N 291.822 3.683 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCCc1cccs1 78832912 XYGSPDDMVSAUBH-UHFFFAOYSA-N 297.305 3.688 30 20 CHED CC(C)c1cccc(C(=O)N(CCC#N)CC2CC2)c1 597143015 XKRQRFHCRBAFMW-UHFFFAOYSA-N 270.376 3.576 30 20 CHED C[C@H](C#N)CNCc1ccccc1-c1ccccc1 757908656 STFZKLWQTOAPMI-CQSZACIVSA-N 250.345 3.603 30 20 CHED CCc1nc2cc(NCc3cc(C#N)cs3)ccc2o1 93687423 XRGSLKAUTUPDRO-UHFFFAOYSA-N 283.356 3.935 30 20 CHED C[C@@H]1C[C@H](Nc2cccc(OCCCC#N)c2)CS1 94472806 WHARJHPLDMDCBS-OCCSQVGLSA-N 276.405 3.675 30 20 CHED CC(C)CC1(CNc2cccc(C#N)n2)CCCC1 94877954 NBUWNPSGFIZEST-UHFFFAOYSA-N 257.381 3.972 30 20 CHED N#Cc1ccnc(CN2CCC[C@H]2CC2CCCCC2)c1 1167255091 CNQLNBVABWAJEH-SFHVURJKSA-N 283.419 3.888 30 20 CHED C[C@@H](Cc1cccnc1)Nc1nc(C(C)(C)C)ccc1C#N 1164342544 RAFDJJHGRZGWPI-ZDUSSCGKSA-N 294.402 3.689 30 20 CHED Cc1ccc(OCc2nnc(C3(C#N)CCCC3)o2)cc1C 1322323408 XOYUCRDEDRTEHO-UHFFFAOYSA-N 297.358 3.601 30 20 CHED CN(C)c1cccc(Cl)c1C=NOC/C=C/Cl 1327588655 ZYSGVLQWPFRJIN-ZJPUZTQDSA-N 273.163 3.509 30 20 CHED CC(C)(C)ON=Cc1ccccc1OCc1ccccn1 1323132448 OUQGERRHNFLWCC-UHFFFAOYSA-N 284.359 3.810 30 20 CHED CSc1ccc([C@H](C)Nc2ncc(C#N)cc2F)cc1 1186267569 USDZKLRJADPUIF-JTQLQIEISA-N 287.363 3.987 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 1338068532 LGIUWWALZFXDIG-QMMMGPOBSA-N 292.326 3.695 30 20 CHED C#CCSCC(=O)Nc1ccc(C)c(Cl)c1Cl 1331766084 KIHPRQUDMCWVMI-UHFFFAOYSA-N 288.199 3.607 30 20 CHED C=C[C@](C)(CC)c1nnc(Cc2ccccc2C)o1 1333130365 QCRDPEKSDNKBMF-MRXNPFEDSA-N 256.349 3.823 30 20 CHED C=CCC1(c2nnc(Cc3cccs3)o2)CCC1 1331902399 PMPAMKOTZDXVEU-UHFFFAOYSA-N 260.362 3.720 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1C[C@H](C)C[C@H]1C 1343680274 VHTBAWNAWOWJCO-ZIAGYGMSSA-N 286.423 3.523 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(C(F)(F)F)cc1 1342734130 RYXSWGOSFTUMDN-ZWNOBZJWSA-N 273.298 3.557 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc2c(C)cc(C)nc2s1 1345887361 NPMBKIQDISJBPD-NSHDSACASA-N 288.372 3.762 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(-c2cnco2)cc1 1346201256 XQQSUSSKLLJTQR-UHFFFAOYSA-N 270.332 3.882 30 20 CHED N#Cc1ccc(F)c(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 1352888635 VFOGRYLGBISTKM-KRWDZBQOSA-N 294.329 3.578 30 20 CHED Cc1ccc(C(=O)O[C@H](CC#N)c2ccco2)cc1C 1518000467 GTSPHZAKDDHXPG-OAHLLOKOSA-N 269.300 3.708 30 20 CHED Cc1cc(NC(=O)C(C)(C)C2CCCCC2)ncc1C#N 1526925714 PRJBVLFWZXQIIB-UHFFFAOYSA-N 285.391 3.807 30 20 CHED C=C(C)CN(CCC1(C(=O)O)CCC1)Cc1ccccc1 1602709978 NDSYRDOMXHDTHH-UHFFFAOYSA-N 287.403 3.710 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H](C)c2ccccc2F)n1 1534294162 PDURXMGTAXPAML-NSHDSACASA-N 297.333 3.533 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@@H](C)C1 1464913126 QKROUSNOPDXYGU-IPYPFGDCSA-N 285.391 3.895 30 20 CHED CCCOc1ccc(Nc2cccc(C#N)n2)cc1C 1612685458 VWXWCWQWAUQXFT-UHFFFAOYSA-N 267.332 3.794 30 20 CHED N#Cc1cc(NCc2ccc(-c3cccs3)cc2)ncn1 1472827003 IHAZPHARHHEGKW-UHFFFAOYSA-N 292.367 3.689 30 20 CHED Cc1cc(N2CCC[C@@H]2Cc2ccccc2C)ncc1C#N 1611997472 NWDDRFAKXZOFSP-GOSISDBHSA-N 291.398 3.782 30 20 CHED Cc1ccnc(SCc2ccc(C#N)cc2C)c1 1473086839 ZWGKEMKOVIMGPE-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CCN(CCOc1ccccc1C)[C@H](C#N)c1ccccc1 1559927300 OFJVDJGWRCLJQO-GOSISDBHSA-N 294.398 3.961 30 20 CHED CCCOc1cccc(CCNc2nccc(C)c2C#N)c1 1639670888 VYYHBKRQNOBOCZ-UHFFFAOYSA-N 295.386 3.705 30 20 CHED Cc1cccc2c1CCN2C(=O)Nc1ccc(CC#N)cc1 1562066272 AJPQREHOJLWIGB-UHFFFAOYSA-N 291.354 3.656 30 20 CHED Cc1cc(C)n(-c2ccc(Oc3ccncc3C#N)cc2)n1 1640029078 KAPZRQARRLAAGB-UHFFFAOYSA-N 290.326 3.548 30 20 CHED C=CC(C)(C)C(=O)O[C@@H]1CCCc2cc(C(=O)O)ccc21 1573347256 KAACXMQWVQNGCO-CQSZACIVSA-N 288.343 3.518 30 20 CHED C#CCC1(NC(=O)Nc2cccc3c2CCN3)CCCCC1 1574545245 ORSQRWTUIGFYPY-UHFFFAOYSA-N 297.402 3.502 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2cccc(C#N)n2)C1(C)C 1651240112 GEXXHHRWMSXXGS-ZDUSSCGKSA-N 271.408 3.994 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)cc2)CC1 1585598238 ZZBVWQYBFATYDY-RDJZCZTQSA-N 284.403 3.893 30 20 CHED Cc1cc(NC(=O)[C@H](C)c2cccc(Cl)c2)ncc1C#N 1585003656 ZPELKYBZCRKPFB-LLVKDONJSA-N 299.761 3.657 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2C)[C@H]1C 1669819998 JPCYHEJGUMEFAZ-QWHCGFSZSA-N 271.364 3.519 30 20 CHED CC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@H]1CC12CC2 1776034240 UYINJGWFQSVIEY-LLVKDONJSA-N 278.739 3.626 30 20 CHED C[C@H]1CCC(C)(C)CC1=NNc1ccc(CC(=O)O)cc1 1776085908 QYGYOZUZUSLWCX-LBPRGKRZSA-N 288.391 3.928 30 20 CHED CC(C)C[C@H]1CCCC1=NNc1ccc(C(=O)O)cc1 1776013750 NUFHOUBCTPKQHC-CYBMUJFWSA-N 274.364 3.999 30 20 CHED C=CCNC(=O)c1ccc(OCCCCCC)cc1 14028274 IZVDPRIGHXTXNF-UHFFFAOYSA-N 261.365 3.562 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C=C/C(=C\C)CC 160189958 PFHVCBJBFCVXAY-FHQGNSKOSA-N 287.334 3.689 30 20 CHED C[C@H]1CCCCN1c1ccc(C#N)cc1Br 168546010 NXPWTSHPBUVHRH-JTQLQIEISA-N 279.181 3.700 30 20 CHED COCCC1(CNc2ccc(C#N)cc2)CCCC1 151815292 QKCJYXVQTFQIFR-UHFFFAOYSA-N 258.365 3.567 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc(F)cc2)CC1 153027819 FAZRSPOZIPUTRN-AWEZNQCLSA-N 276.399 3.517 30 20 CHED Cc1cccc(CC(=O)N[C@@H](CCC#N)c2ccccc2)c1 153544610 BELFNDGSVCLUOX-SFHVURJKSA-N 292.382 3.699 30 20 CHED CCCOc1cc(C)ccc1CNCc1cccc(C#N)c1 153592905 TXGSKUVXBYGXAB-UHFFFAOYSA-N 294.398 3.945 30 20 CHED C#CCCCCNC(=O)C(C)(C)c1ccc(Cl)cc1 156255612 HQWYCRUGWJWFGL-UHFFFAOYSA-N 277.795 3.537 30 20 CHED COc1cc(F)c(NCCCC(C)(C)C#N)cc1F 154344830 QRQIBHHVIMLKFI-UHFFFAOYSA-N 268.307 3.715 30 20 CHED C#Cc1ccc(CNc2ccc(C)c(OCC)c2)cc1 809601013 UMJJUOYQDHECJB-UHFFFAOYSA-N 265.356 3.987 30 20 CHED C#CC1CCN(Cc2cscc2C(F)(F)F)CC1 843427269 XNQFYQSYIUDMRI-UHFFFAOYSA-N 273.323 3.612 30 20 CHED C[C@@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 251783767 UAFCAZZBOADJAD-NQZOLGFYSA-N 254.377 3.645 30 20 CHED C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 37333817 BZHLYCVDMMDIGV-JTQLQIEISA-N 268.282 3.813 30 20 CHED N#C[C@@H](NC(=O)c1ccc(F)c(Cl)c1)C1CCCCC1 164316718 BKBNCIPGYLPGAP-CQSZACIVSA-N 294.757 3.681 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Cc1cccc(Cl)c1 52944689 PFAFFJSFZVLWBI-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1)COCc1ccccc1 301108256 RJBTZXGXERPUTN-HNNXBMFYSA-N 280.371 3.823 30 20 CHED CSCc1ccc(C(=O)Nc2ccccc2C#N)cc1 68233548 MGITUJVSJIHISF-UHFFFAOYSA-N 282.368 3.674 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cccc(OCC#N)c1 308086038 HMQVKMKUMDUMRM-ZDUSSCGKSA-N 274.364 3.600 30 20 CHED C[C@H]1CCCC[C@@H]1CNCc1ccc(C#N)c(F)c1 404111929 JXMFBWMHTDHWKD-SWLSCSKDSA-N 260.356 3.613 30 20 CHED N#Cc1c(Cl)cccc1N[C@H]1CCC(F)(F)C1 310222959 FPRTZOCTZUZWGC-QMMMGPOBSA-N 256.683 3.811 30 20 CHED COc1cc(C#N)ccc1OCc1sccc1Cl 310760191 YKBIBJHVZMNWJL-UHFFFAOYSA-N 279.748 3.861 30 20 CHED N#Cc1cc(CN2C3CCCC2CCC3)ccc1F 610720073 PLDHFLIGEJFLFE-UHFFFAOYSA-N 258.340 3.604 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC[C@@H]3CCC[C@H]32)n1 614528962 UZSBDAGBEYXFGO-GXTWGEPZSA-N 269.392 3.630 30 20 CHED Cc1ncsc1COc1ccc(C#N)cc1Cl 334156188 XQQWRJNKLQAODQ-UHFFFAOYSA-N 264.737 3.556 30 20 CHED COc1ccc(CN2CCCC[C@H]2C(C)C)cc1C#N 340195441 REINODREJODWSJ-INIZCTEOSA-N 272.392 3.577 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccc(SC)cc1 599887912 NUDNJAFANHHQLT-LBPRGKRZSA-N 290.432 3.916 30 20 CHED CCc1cccc(CNc2cc(F)cc(C#N)c2)c1O 718626320 LSNKGGXVMLCJKS-UHFFFAOYSA-N 270.307 3.577 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)c1n[nH]c(C)n1 392417085 KXCCDUQBSSZBMT-VXGBXAGGSA-N 252.406 3.513 30 20 CHED C=CC[C@H](CC)Nc1nc(C(F)(F)F)ccc1C#N 393754239 VROQEGHUPMVYIZ-JTQLQIEISA-N 269.270 3.739 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2C)C1 58452423 HQLQXSGZKYMUHM-CYBMUJFWSA-N 271.364 3.521 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc(Cl)c(F)c1 52031385 YQYCTERAPQAHHO-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC(C)(C#N)CCCSc1nnnn1C1CCCCC1 177220802 QJNHZZGEAWQFGQ-UHFFFAOYSA-N 293.440 3.600 30 20 CHED CC1=C(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCO1 179275701 YNTZFAGBPJGCIT-UHFFFAOYSA-N 284.359 3.511 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 114779628 ZYDJHGNDTHYIST-OAHLLOKOSA-N 285.391 3.848 30 20 CHED C#CC[C@@H](OC(=O)c1ccc2ccc(Cl)cc2n1)C1CC1 176606876 DDDQBGIQQXORFX-MRXNPFEDSA-N 299.757 3.847 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(C#N)cc1 104773073 KEAJUGPIELCAOJ-QGZVFWFLSA-N 291.354 3.676 30 20 CHED C=CCCCCNC(=O)c1cc(Cl)ccc1F 310071255 DIPOIGMUGRNANJ-UHFFFAOYSA-N 255.720 3.565 30 20 CHED CC[C@H](CC(=O)Nc1ccc(F)cc1C#N)C(C)C 177587904 NITYBEVMLUBIEZ-LLVKDONJSA-N 262.328 3.708 30 20 CHED C[C@@H](CC(=O)Nc1sccc1C#N)c1cccc(F)c1 115974059 BYUDBDMLKKOLRZ-JTQLQIEISA-N 288.347 3.891 30 20 CHED C#CCCCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 119553922 XKTHWHCNXJQGDU-QGZVFWFLSA-N 297.402 3.570 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@H](C)C1(C)CC1 178542053 FVEWUPYBOVVSMX-GFCCVEGCSA-N 271.364 3.519 30 20 CHED Cc1cccc([C@@H](C)CNCc2cc(C#N)cs2)c1 177705226 WJRDNBWSWZKISI-ZDUSSCGKSA-N 270.401 3.822 30 20 CHED C=C(C)COC(=O)c1csc(-c2ccccc2C)n1 171227634 MRORJOYOOHPFCZ-UHFFFAOYSA-N 273.357 3.851 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CC#N)c1 68709790 BPGQVEOKOGWFHZ-WBVHZDCISA-N 284.403 3.841 30 20 CHED N#Cc1ccc2nc(NCc3ccc(F)cc3)ccc2c1 301833578 UZCPFFWLSJQCGA-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CCOc1ncccc1CNc1ccc(Cl)cc1C#N 301211001 UYWJLJXJNFUZFE-UHFFFAOYSA-N 287.750 3.617 30 20 CHED COc1cccc(/C=N/Cc2ccc(Cl)s2)c1O 26432302 NKLQFFGBXJWEFC-VIZOYTHASA-N 281.764 3.735 30 20 CHED N#Cc1cccc(C#N)c1N1CCC(c2ccccc2)CC1 302386971 AXSNASNHVOYEKC-UHFFFAOYSA-N 287.366 3.814 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 175476130 NPUYWKBTRIZWPF-MRXNPFEDSA-N 297.402 3.891 30 20 CHED C[C@H](Oc1ccc(F)c(F)c1)c1ccc(C#N)cc1 172319241 ZVKICUOXNPEWJL-JTQLQIEISA-N 259.255 3.976 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cnc(C(C)C)s1 178972825 LGJICQIPLCPYMJ-UHFFFAOYSA-N 285.372 3.699 30 20 CHED CCOc1cc(CNCC(C)(C)CCC#N)ccc1OC 174395050 NTMHTUILDKFZIH-UHFFFAOYSA-N 290.407 3.513 30 20 CHED CCc1ccccc1C(=O)[C@@H](C#N)c1nc(C)cs1 178987868 CQNLGWWQEMPQPY-CYBMUJFWSA-N 270.357 3.504 30 20 CHED C=C(C)CNc1cc(C(F)(F)F)ccc1NC(C)=O 64398542 KCJGKBMTZHTUSW-UHFFFAOYSA-N 272.270 3.652 30 20 CHED CCn1cnnc1-c1cccc(NCC(C)(C)CCC#N)c1 120303698 PPRDVZPVHHSFIU-UHFFFAOYSA-N 297.406 3.707 30 20 CHED CCc1ccc(N/C(N)=N/CCCc2ccccc2)cc1 303718448 VARXKOYTFPVPPF-UHFFFAOYSA-N 281.403 3.608 30 20 CHED CCO[C@H]1C[C@@H](Nc2c(F)cc(C#N)cc2F)C12CCC2 301344233 JTXNDWQNOHVBSF-KGLIPLIRSA-N 292.329 3.596 30 20 CHED Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(CN(C)C)c1 185747555 XAFWFUJGCVEVHY-ZBFHGGJFSA-N 271.408 3.551 30 20 CHED CCCCCCCCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C 120787941 ULNMDHRNBSKHBS-JKSUJKDBSA-N 282.472 3.536 30 20 CHED C[C@@H](CC(=O)NCc1ccc(C#N)c(F)c1)CC(C)(C)C 404575200 OFOBYOUKIGJLRV-LBPRGKRZSA-N 290.382 3.776 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cncc(C)c2)cc1 184764981 HJUKTOIPMPBBMI-RMKNXTFCSA-N 267.328 3.685 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 181950877 MWYSQMPVBXYCIW-UHFFFAOYSA-N 298.390 3.529 30 20 CHED CC#CCCCC(=O)Nc1nc2ccc(C)cc2s1 184884465 ABRDSIYPJWEJTM-UHFFFAOYSA-N 272.373 3.737 30 20 CHED C[C@H](N[C@H](C)C1CCSCC1)c1ccc(C#N)cc1 353927469 JFEQHUYNZXQBKO-QWHCGFSZSA-N 274.433 3.741 30 20 CHED CC(C)C(=O)Nc1cccc(NCc2ccc(C#N)cc2)c1 73601172 NOCAWPIHRMNBEJ-UHFFFAOYSA-N 293.370 3.765 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)CCCSCC#N 74981905 MXPAXTJRIQSZIV-NSHDSACASA-N 284.375 3.604 30 20 CHED C=CCN1CCC(N[C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 123193988 HKUJHSGIFIELTH-RBUKOAKNSA-N 298.474 3.809 30 20 CHED CC(C)(C)CCC(=O)Nc1ncccc1OCCCC#N 78118524 YUBIEUYWGBFWQY-UHFFFAOYSA-N 289.379 3.529 30 20 CHED CC[C@H](C#N)Sc1nc(C)c(C)n1CC(C)C 127269397 FIQVIKRCFOLPRK-GFCCVEGCSA-N 251.399 3.550 30 20 CHED N#CCCN(C(=O)c1cccc(F)c1)c1ccc(F)cc1 72678567 WRMHDCAKTCSYNH-UHFFFAOYSA-N 286.281 3.525 30 20 CHED C=CCN1CCC(NC[C@@H](C)c2cccc(Cl)c2)CC1 187823550 LXPUUTZAQYZBOU-CQSZACIVSA-N 292.854 3.684 30 20 CHED C=C(C)CCN(CCCc1ccccc1)CCOC 509265404 VJOLKQZDUNKZPS-UHFFFAOYSA-N 261.409 3.534 30 20 CHED Cc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cn1 410929287 MLWSSAQGMLHXHX-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CC1(C)C[C@H](NC(=O)C2(C#N)CCCCC2)c2ccccc21 127345847 ABTJDZNBLPMQDO-INIZCTEOSA-N 296.414 3.999 30 20 CHED C=CCn1c(C)nnc1SCCCCCCC 125319333 XCSRLVYAZTVBAU-UHFFFAOYSA-N 253.415 3.835 30 20 CHED C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1cccc(C#N)c1 187609391 OCEXBAODMCZDJJ-STQMWFEESA-N 280.375 3.899 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cccc(Br)c2)C1 185812926 LSQRCTDHSULHPM-RISCZKNCSA-N 293.208 3.621 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(F)cc1Cl 281135603 UPGWMNJSEOUMBH-JTQLQIEISA-N 255.720 3.564 30 20 CHED CN(Cc1cc(F)c(F)c(F)c1)Cc1ccccc1C#N 181012890 CVGAYWUIIIBQCZ-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)CC(C)C 506643879 WOUGJBJVRALUEI-GFCCVEGCSA-N 289.379 3.513 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1F)N(C)c1ccccc1 506835412 DCOJZQMHOPYRIE-ZDUSSCGKSA-N 283.350 3.634 30 20 CHED CN(CCC1(C#N)CCCCC1)Cc1ccc(C#N)cc1 411134791 OXPZTCLZEITJEG-UHFFFAOYSA-N 281.403 3.854 30 20 CHED N#CCc1cccc(NC(=O)c2cc3ccccc3o2)c1 313458081 DJNYXJGWRARNQG-UHFFFAOYSA-N 276.295 3.751 30 20 CHED Cc1nn(-c2ccccc2)cc1C/N=C/c1ccccc1O 180199712 YCXKXUSAQLONCS-YBFXNURJSA-N 291.354 3.505 30 20 CHED N#Cc1ccc(Oc2nc3cc(F)ccc3o2)c(F)c1 133075506 XROLAGGYRYVYOS-UHFFFAOYSA-N 272.210 3.770 30 20 CHED Cc1cccc(NC(=O)N(C)Cc2cccc(C#N)c2)c1C 43136520 GFJRCWPYVYCJKJ-UHFFFAOYSA-N 293.370 3.839 30 20 CHED CC1(C)CCCC[C@H]1/N=C(/O)c1cnc2cnccc2c1 328682640 VWJXOELOKYFINO-OAHLLOKOSA-N 283.375 3.903 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1c1cc(C)ccc1C 134834036 CWIRIUAOFAKDLD-ZBFHGGJFSA-N 272.392 3.724 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C(/O)C[C@H]1CCCC(O)=N1 329281293 ACGAFJFDLMTLHO-FRRDWIJNSA-N 298.452 3.906 30 20 CHED CC[C@@H]1C[C@H](/C(O)=N/CCC2=CCCC2)CC(O)=N1 329766354 YAIAJNMVGOHWLZ-QWHCGFSZSA-N 264.369 3.588 30 20 CHED C=CCOc1cccc(NC(=O)NCc2cccs2)c1 48955440 RRSUKERSIGBZEY-UHFFFAOYSA-N 288.372 3.635 30 20 CHED C=CCCCCCSc1nnc(C(C)C)n1C 195440013 RMFOYTGNWUMLCQ-UHFFFAOYSA-N 253.415 3.777 30 20 CHED C=CCCCN(C)CCOc1ccc(Cl)cc1 522775297 KXCIAANSKWGSPF-UHFFFAOYSA-N 253.773 3.617 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(C#N)c1 43329408 JFRJXNZYGYTVQW-ZDUSSCGKSA-N 279.343 3.783 30 20 CHED C=C(Br)CNC(=O)Nc1ccc(C(C)C)cc1 49299710 XLLUVHUXXDGJKK-UHFFFAOYSA-N 297.196 3.840 30 20 CHED N#CCN(Cc1cc(Cl)cs1)C1CCCC1 194407938 GJOLPKJNNTUMKO-UHFFFAOYSA-N 254.786 3.670 30 20 CHED CCC(CC)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 193048626 JRMBNBYCRMHVCC-UHFFFAOYSA-N 273.380 3.798 30 20 CHED Cc1[nH]c2c(C(=O)Nc3cccc(C#N)c3)cccc2c1C 44897449 DLJUGNWYNHYHKK-UHFFFAOYSA-N 289.338 3.909 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCC(C)(C)CCC#N 513149344 NAJLCOGWVKUDDD-GJZGRUSLSA-N 293.455 3.927 30 20 CHED C=CCCNc1cc(F)c(Br)cc1F 229065173 ZRBHCWDZARDLFG-UHFFFAOYSA-N 262.097 3.715 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@H](CC)C2)c1 133143761 MDISDMMZBHOEIS-AWEZNQCLSA-N 288.391 3.905 30 20 CHED C#Cc1cccc(NCc2cc([N+](=O)[O-])ccc2OCC)c1 83115785 OWNMICOZSNIERU-UHFFFAOYSA-N 296.326 3.587 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2cc(Cl)ccc2[nH]1 44341176 BOXKPHAVCYKDMW-UHFFFAOYSA-N 276.767 3.860 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425528099 PPUGSYAEBQUWST-CZUORRHYSA-N 285.391 3.615 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCC[C@H]1C 425106057 GFQNXGUDXZPSQS-KEYYUXOJSA-N 284.403 3.904 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)CC1 511275134 CSYNRFUSBJNXJY-IHRRRGAJSA-N 264.413 3.503 30 20 CHED N#Cc1ccc(NCc2c[nH]nc2-c2ccc(F)cc2)cc1 132859344 QONYMIPYHKBVAQ-UHFFFAOYSA-N 292.317 3.700 30 20 CHED Cc1ccc(C2CC(NCc3ccc(C#N)s3)C2)cc1 421355568 ZSRDSZUXIHHLNP-UHFFFAOYSA-N 282.412 3.964 30 20 CHED N#Cc1ccccc1SCCCN1CCCCC1 191831411 CZCWHZPAXIKBAF-UHFFFAOYSA-N 260.406 3.526 30 20 CHED C[C@@H](SC1CCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 518692109 UZMAHURRLXMLPZ-SECBINFHSA-N 294.807 3.824 30 20 CHED C=CCCCC(=O)Nc1ccc(Br)cc1F 177459001 IMGJGINAGHXJRJ-UHFFFAOYSA-N 286.144 3.883 30 20 CHED Cc1ccc(C[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)cc1 518403695 JDISOBQHPSJSEZ-GBESFXJTSA-N 282.431 3.942 30 20 CHED CC(C)CSCCCNC1(c2cccc(C#N)c2)CC1 516857805 IIKNUSUZFPJCJH-UHFFFAOYSA-N 288.460 3.916 30 20 CHED CCCCCN(C(=O)NCc1ccc(C#N)s1)C(C)C 422215225 IBSXRCWNURRTRN-UHFFFAOYSA-N 293.436 3.730 30 20 CHED C[C@@H](Cc1ccc(F)cc1Cl)NCC1(CC#N)CC1 421854802 MEYRKHNXPDXSLQ-NSHDSACASA-N 280.774 3.694 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@H](C)CC(C)(C)OC)s1 330867981 DNXCROPWXYHQQT-SECBINFHSA-N 284.425 3.522 30 20 CHED CC(C)CCCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425397549 SAEASWMRMPUUTK-CQSZACIVSA-N 287.407 3.697 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccccc2OC2CCCC2)C1 424204920 VTBDFPNQTHGYGY-ZBFHGGJFSA-N 284.403 3.790 30 20 CHED C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C#N)cc2)C1 518465898 HMNYKIXXIXECGP-HNAYVOBHSA-N 291.398 3.806 30 20 CHED C=CCCSCc1nnc(-c2ccc(OC)cc2)o1 339090952 NVSYWTJIPQEWEV-UHFFFAOYSA-N 276.361 3.555 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(C#N)cc2F)C12CCCC2 90801999 MQJDAMBBCUNSPC-CVEARBPZSA-N 288.366 3.847 30 20 CHED C[C@H](/C(O)=N/[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cncnc1 330235936 ABMPEVICXKJGCP-ZCTGUTNYSA-N 287.407 3.751 30 20 CHED CO[C@@H](COc1ccc(C#N)c(C)c1)c1ccccc1 516667121 HZFKNASKYZZLQS-KRWDZBQOSA-N 267.328 3.633 30 20 CHED CC1(C)CCCN(Cc2ccnc3ccccc23)[C@@H]1C#N 517495451 FBEBLKDGGHEUGH-QGZVFWFLSA-N 279.387 3.749 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCc1cccc2cc[nH]c12 336867191 ZQKPUOGENTUYGB-UHFFFAOYSA-N 292.298 3.560 30 20 CHED CC1(C)CCC(CC(=O)N2CCC(C)(C#N)CC2)CC1 336419115 KQUCGBYSWYCEAM-UHFFFAOYSA-N 276.424 3.745 30 20 CHED CC(=O)c1ccc2c(c1)CN([C@@H](C)c1ccc(C#N)cc1)C2 335179620 WKRCEBZCDWBYIE-ZDUSSCGKSA-N 290.366 3.838 30 20 CHED COc1cc(C#N)ccc1OC/C=C\c1ccccc1 96801517 JWFWWRFNGIDYSQ-YVMONPNESA-N 265.312 3.659 30 20 CHED C[C@H](NCc1cc(F)cc(F)c1)c1cccc(C#N)c1 179094587 QOZBIZMOWSUEEX-NSHDSACASA-N 272.298 3.687 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1c(F)cc(F)cc1F 337953822 BQOIYHMOKQITRI-UHFFFAOYSA-N 290.244 3.536 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)C3CCCCC3)CC2)cc1 334418241 PFOIQNSRPQSVPO-UHFFFAOYSA-N 294.398 3.754 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H]1Cc1ccccc1 437835015 ONFRDPIGYKOHDA-KXBFYZLASA-N 276.383 3.936 30 20 CHED C=CCNC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 438356638 KSOFFSDPCPTZRH-UHFFFAOYSA-N 280.371 3.645 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CCC(C(C)C)CC1 435748617 ORUGAASVBMBSHW-ODZFXCKXSA-N 265.441 3.772 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C(=O)CC)ccc1O 436645274 LUIJYFJIIBIUCQ-UHFFFAOYSA-N 287.359 3.692 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(F)c(C#N)c2)cc1 344421527 ZVLPICYLLWXMCL-UHFFFAOYSA-N 298.361 3.728 30 20 CHED N#Cc1cnccc1/C=C/C=C/c1ccc(F)cc1 349107513 JZOWNPDQSLZMEL-ZPUQHVIOSA-N 250.276 3.819 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccnc(OC3CCCCC3)c2)C1 521531464 KAWVYBLUADGSHL-HOCLYGCPSA-N 299.418 3.575 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H](c1ccccc1)C(C)C 435742258 MRIWRDAUBBYIRA-QYZOEREBSA-N 287.447 3.997 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(OC)c(C)cc1C 529227167 JIDREFUZFVZNMP-UHFFFAOYSA-N 274.364 3.581 30 20 CHED CCSCc1ccccc1C(=O)[C@@H](C#N)c1ccccn1 434625458 JIMBHKQJJYTBEB-HNNXBMFYSA-N 296.395 3.825 30 20 CHED C=CCCN(C)Cc1cccc(-c2cccnc2)c1 343445257 PPQXRLSRNVBWSB-UHFFFAOYSA-N 252.361 3.757 30 20 CHED C=CCC(C)(C)c1noc(-c2occ3c2CCC3)n1 340780360 USHWPGXMROJJMP-UHFFFAOYSA-N 258.321 3.672 30 20 CHED N#CCCCCSCc1nc(C2CC2)cs1 342568876 LMLGIJSIUPKBQK-UHFFFAOYSA-N 252.408 3.948 30 20 CHED COc1ccc(C2(CNC[C@@H](C)CCC#N)CCC2)cc1 602606469 FCEQBJMLIMAFPJ-HNNXBMFYSA-N 286.419 3.646 30 20 CHED CC1(C)Cc2cccc(/C=C\C(=O)c3cccnc3)c2O1 255359607 HCMQNFOLYNNLNI-HJWRWDBZSA-N 279.339 3.691 30 20 CHED CC[C@@H]1CCC[C@H]1CN[C@H](C)CC1(C#N)CCOCC1 602678570 GGDBKCYIPNNDSI-OAGGEKHMSA-N 278.440 3.501 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N[C@@H](CCC#N)c2ccccc2)C1 345244524 FFXJTWJPWLRBEN-BMFZPTHFSA-N 270.376 3.584 30 20 CHED C[C@@H](CCC#N)CNc1cccc(OC(F)F)c1 602485739 VWEKAWFHBGYBDY-JTQLQIEISA-N 254.280 3.640 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1c[nH]c2ccccc12 182634223 JDNGBSLPMXYEGL-ZDUSSCGKSA-N 270.376 3.571 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2ccc(OC)cc2)CC2(CCC2)C1 353774945 KMZATHUBZYVFBO-CQSZACIVSA-N 299.414 3.588 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N(C)c1ccc(C#N)cc1 602276599 XFWQFJCMJPXZFS-HNNXBMFYSA-N 292.382 3.708 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C#N)s2)c1 255167254 WUPROZIHPRAGHQ-ALCCZGGFSA-N 269.325 3.524 30 20 CHED C=CCCCCCSc1nc2sccc2c(=O)n1C 447306954 WHIQVEGULPABGR-UHFFFAOYSA-N 294.445 3.834 30 20 CHED CCCCO[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C 539512157 MXVAXNYUJOBRLH-GJZGRUSLSA-N 292.448 3.693 30 20 CHED CSc1ccc(COc2ccc(C#N)c(F)c2)cc1 609423730 LVKMHDRZTHXGJY-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 266145429 MIULVSKCPGJDNG-DOMZBBRYSA-N 293.794 3.595 30 20 CHED C[C@H]1C[C@@H](C)CN(C(=O)C[C@H](CC#N)c2ccccc2)C1 353349452 RKAADYDTIPOGTB-UXLLHSPISA-N 284.403 3.578 30 20 CHED C=C(CNC(=O)N[C@H]1CCCc2occc21)c1ccccc1 351580990 KGSCZONPIGQCGG-INIZCTEOSA-N 296.370 3.670 30 20 CHED C=C(C)CCNCc1cnc(-c2ccc(C)o2)s1 449479911 WOGUZETUKZVLTO-UHFFFAOYSA-N 262.378 3.767 30 20 CHED CC1(C)CCc2cc(CN3CCC[C@](C)(C#N)C3)ccc2O1 612407092 YONADNHCEDYQJD-LJQANCHMSA-N 298.430 3.916 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)Cc1ccccc1F 538293739 JEUMGQGFPVIZOR-UONOGXRCSA-N 292.398 3.801 30 20 CHED C=CC[C@@H]1N(C(=O)NCC2(C)CC2)CCCC1(C)C 445114362 LWUMICHIIQTYOQ-ZDUSSCGKSA-N 264.413 3.563 30 20 CHED CC(=NNc1nc2ccccc2s1)c1ccc(O)cc1 263622184 MSOOMDMMNLZNFZ-UHFFFAOYSA-N 283.356 3.838 30 20 CHED CSCc1ccccc1NC(=O)c1ccc(CC#N)cc1 352807849 ASEAQMXTMDDXIS-UHFFFAOYSA-N 296.395 3.868 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccccc2OCC2CC2)C1 442852250 HEFZKGRXNDOYSD-KGLIPLIRSA-N 256.349 3.580 30 20 CHED C[C@@H](Cc1cccs1)NC1(c2cccc(C#N)c2)CC1 611476018 ZOYLKKYMXMEMOJ-ZDUSSCGKSA-N 282.412 3.830 30 20 CHED CCCCCCCCNC(=O)Nc1c(C)noc1C 269989156 QRBRQVVCPCCVST-UHFFFAOYSA-N 267.373 3.773 30 20 CHED C[C@@H](NCc1cccc(C#N)c1F)c1cccc(F)c1F 538232250 WGMMGYHDAGVJAN-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 455304113 BVVOFMAPEJJHSX-DOTOQJQBSA-N 286.419 3.788 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)NCC(C)(C)CC#N)C1 459242604 RYPARGOCKCEAIU-ZBFHGGJFSA-N 299.418 3.719 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2c2ccsc2)c1[N+](=O)[O-] 450253784 FWRQPIKAJHTICW-CYBMUJFWSA-N 299.355 3.869 30 20 CHED CCN(C(=O)[C@@H]1CC12CCC2)c1ccc(C#N)c(Cl)c1 611359567 OUSNUHPNJAGUCK-ZDUSSCGKSA-N 288.778 3.755 30 20 CHED CCCc1cc(=NCC(C)(C)C#N)c2ccccc2[nH]1 611617824 DFFFKPIOEPQPSS-UHFFFAOYSA-N 267.376 3.571 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCCC1(F)F 454809781 MTVXYGPUXPZUQQ-QWHCGFSZSA-N 288.382 3.856 30 20 CHED CC(C)(C)CCNC(=O)Nc1ccc(CC#N)cc1Cl 455709961 VXPKBKGZEAFOAJ-UHFFFAOYSA-N 293.798 3.964 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ncccc2SCC)C1 617777586 SGONORUPQLIOIP-CYBMUJFWSA-N 290.432 3.622 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(OC(C)(C)C)cc1 610571021 HMCXLZXNDDKKIQ-CQSZACIVSA-N 288.391 3.532 30 20 CHED Cc1cc(NC(=O)NCCCCC#N)ccc1C1CC1 360819839 IKQMJXMWQCUSHH-UHFFFAOYSA-N 271.364 3.688 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)Nc1cccc(CC#N)c1 455925242 XAVVMTUTSOXRIY-MRXNPFEDSA-N 285.391 3.795 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CCCC)c1ccc(OC)cc1 362372422 ZRGRECDGBGWFJK-CJNGLKHVSA-N 290.407 3.800 30 20 CHED Cc1nn(CCCC(C)(C)C#N)c2ccc([N+](=O)[O-])cc12 272368300 OYKHIANQBBOSQW-UHFFFAOYSA-N 286.335 3.583 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCCCC2(F)F)CC1 452315887 WHWMCRCUMXCMSB-GFCCVEGCSA-N 271.351 3.675 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@@H]1CCCC[C@@H]1C 547419117 TYFLKEBWTRFJAT-JSGCOSHPSA-N 286.375 3.722 30 20 CHED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 457316461 ZZWKKXQOXMLWLC-WMZOPIPTSA-N 296.414 3.531 30 20 CHED C=C(C)CN(C)C(=O)c1csc2cc(C)ccc12 360028485 FRPYRCDRLDKECT-UHFFFAOYSA-N 259.374 3.858 30 20 CHED C=CCCc1noc(-c2ccc(C(C)(F)F)cc2)n1 453222783 RCGOJKXJIXRZAT-UHFFFAOYSA-N 264.275 3.967 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)cc1OCCC 276347289 TUEHPTRQASNSDD-UHFFFAOYSA-N 276.380 3.824 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC(CC(F)(F)F)CC1 455383936 LLGVYBXMPFFGSM-UHFFFAOYSA-N 292.345 3.573 30 20 CHED C=C(CNC(=O)c1cc(C)n([C@H](C)CC)n1)c1ccccc1 360225531 KERCOKORZFOPOA-CQSZACIVSA-N 297.402 3.606 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1ccc(Cl)s1 455374423 XRZRTVIXIBJSLF-UHFFFAOYSA-N 286.828 3.755 30 20 CHED C=CCN(C(=O)c1sccc1Cl)C(C)(C)C 622945476 FKXJVHOBYPZFKQ-UHFFFAOYSA-N 257.786 3.828 30 20 CHED N#CC1(c2nc(COCc3ccccc3)no2)CCCCC1 273927964 SDAGVMKBMBZBTL-UHFFFAOYSA-N 297.358 3.512 30 20 CHED C[C@H](C(=O)N[C@H]1C[C@@H]1C1CCCCC1)c1cccc(C#N)c1 462149293 CSFOFEWBAFLROS-VHSSKADRSA-N 296.414 3.747 30 20 CHED CCOC(=O)[C@H](Sc1ccc(C#N)cc1Cl)C(C)C 540499296 YZFWQEITNLUAIK-CYBMUJFWSA-N 297.807 3.891 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1C[C@H]2CCC[C@H]2C1 549670091 ONKNVYVINPWZFH-SOUVJXGZSA-N 288.439 3.604 30 20 CHED CCCCCCCCC(=O)N1CCCC2(CCNCC2)C1 375255256 DYVJSEAQZZAGRF-UHFFFAOYSA-N 294.483 3.729 30 20 CHED C=CCCC(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C 374967474 LOENFPGWTHEGAV-UHFFFAOYSA-N 296.370 3.970 30 20 CHED N#CCC[C@@H](N[C@@H]1CCC12CCC2)c1ccccc1 282406351 YBICAUVZMJPIJY-HZPDHXFCSA-N 254.377 3.954 30 20 CHED C=CC(C)(C)C(=O)N[C@H](CC)CCc1ccccc1 628609991 NDFRJNBRRAWFHZ-OAHLLOKOSA-N 259.393 3.726 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(CCC)s1 621351391 QATLLAIWINFBEQ-BBRMVZONSA-N 279.449 3.771 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)c1cc(C#N)ccc1Cl 285567817 GKWVRJBFVZVQCX-SMDDNHRTSA-N 276.767 3.520 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccccc1Cl 620864454 DWSBNWVNBGKZHJ-UHFFFAOYSA-N 251.757 3.815 30 20 CHED C=CCCCCCN(C)Cc1cn(C(C)C)nc1C 467438693 PMAUCQOBWYFEAC-UHFFFAOYSA-N 263.429 3.951 30 20 CHED C=C(C)CCNc1ccc(CCC(=O)N2CCCC2)cc1 288753630 RDRNRYUGHQQTHB-UHFFFAOYSA-N 286.419 3.620 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 466780897 XUICYPJRZAIPCF-IAGOWNOFSA-N 286.419 3.615 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1 372634585 HUWXLZREYXVTOU-ROUUACIJSA-N 296.414 3.865 30 20 CHED CC#CCCCC(=O)N1CCC(c2ccc(OC)cc2)CC1 373364714 UVVTWGZDLFRGMU-UHFFFAOYSA-N 299.414 3.595 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 467412647 JBRPCDPTLCUCAG-UONOGXRCSA-N 298.430 3.978 30 20 CHED C=C[C@@H](C)NC(=O)CCc1ccc(-c2ccccc2F)o1 465107088 HPMQYLZMVBZFKK-GFCCVEGCSA-N 287.334 3.709 30 20 CHED CSc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)o1 550742186 AFJRBKZJRRBNIN-HNNXBMFYSA-N 292.404 3.594 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](CC(C)C)C1 559003837 HYXKXFNJQKLPSI-HNNXBMFYSA-N 290.455 3.850 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC(C)(C)c2ccccc21 289012237 UMCPQDGYEHZXJS-KRWDZBQOSA-N 270.376 3.641 30 20 CHED C=CCCCCNC(=O)NCC1(CCOC)CCCCC1 478037508 RBGYHJYNFNASFD-UHFFFAOYSA-N 296.455 3.629 30 20 CHED CSc1ccccc1[C@H](C)OC(=O)c1cnccc1C#N 808807588 OQEGYKXGBADILW-NSHDSACASA-N 298.367 3.593 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@H](c2ccccc2)C1 554408882 JAGTUMTWHKNYFU-INIZCTEOSA-N 271.404 3.995 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2oc(COC)nc2c1 295120892 ZFTBJJGRLXXLLD-UHFFFAOYSA-N 288.347 3.515 30 20 CHED C=CCC[C@@H](O)CN(CC)[C@@H](CC)Cc1ccccc1 472954585 QTCVRWAIDZYRPA-ZWKOTPCHSA-N 275.436 3.657 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C)cc1OCC 298549324 KYNPRQUDKAVDGE-UHFFFAOYSA-N 261.365 3.935 30 20 CHED Fc1cccc(NN=Cc2ccc(C(F)(F)F)[nH]2)c1F 807974066 RURYIZNEUJRDAE-UHFFFAOYSA-N 289.207 3.758 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(CC(F)(F)F)cc1 806303173 LBLAPUUAMNXDGO-LBPRGKRZSA-N 298.308 3.715 30 20 CHED C=CCCCCNC(=O)N1CCc2c(Cl)cccc2C1 472835180 MVTLVNVOXNSUML-UHFFFAOYSA-N 292.810 3.764 30 20 CHED C#C[C@H](NC(=O)c1ccc(C)c(Cl)c1F)C(C)(C)C 807880680 OQBGELNCRJNZGT-NSHDSACASA-N 281.758 3.565 30 20 CHED COc1ccc(/C=C2\C(=O)c3ccccc3[C@H]2C)cc1O 809155956 IBTSOMRDLIZJJA-PDICVPPASA-N 280.323 3.784 30 20 CHED N#CCCNC[C@@H]1CC2c3ccccc3C1c1ccccc12 560830652 DGRUAVFDDBIECB-JAGHRAMZSA-N 288.394 3.787 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Cl)c(OC)cc1OC 297975393 YOUSHSXTONEAJF-UHFFFAOYSA-N 283.755 3.508 30 20 CHED Cc1ccc(OCc2ccc(CC#N)cc2)cc1[N+](=O)[O-] 399092130 XCOWJGSFDUMGFM-UHFFFAOYSA-N 282.299 3.548 30 20 CHED C[C@]12CCN(c3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl 804706019 PHDOMDMKYQEIQM-OLZOCXBDSA-N 281.186 3.578 30 20 CHED CC[C@](C)(C#N)C(=O)OC[C@@H](OC)c1ccc(Cl)cc1 803786561 INUHBVMLTOLECY-UKRRQHHQSA-N 295.766 3.511 30 20 CHED COCC[C@H](NCCC#N)c1ccc(Cl)c(Cl)c1 298424704 GARRYXKKQVMANZ-ZDUSSCGKSA-N 287.190 3.574 30 20 CHED Cc1nc(N[C@@H]2CCc3c(O)cccc32)c(Cl)cc1C#N 292617304 NFTJQYQZMMDYSB-CQSZACIVSA-N 299.761 3.720 30 20 CHED N#C[C@@H]1CC[C@H](N2CC[C@@H]2c2ccc(Cl)cc2)C1 292861847 RQFFYQCDCJWHKY-BYCMXARLSA-N 260.768 3.779 30 20 CHED Cc1cc(-c2ncco2)ccc1NC(=O)C1(C#N)CCCC1 566823823 JJSWCMXPGZDYHF-UHFFFAOYSA-N 295.342 3.673 30 20 CHED C#C[C@@H](NC(=O)N1CC[C@H](c2ccccc2C)C1)C(C)(C)C 808315763 MADMIALDBGQGQW-DOTOQJQBSA-N 298.430 3.542 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCOCc2ccccc21 470942135 AQUUDAJQDFOHMQ-UHFFFAOYSA-N 298.773 3.748 30 20 CHED C=CCCCCNC(=O)NCC1(c2cccc(F)c2)CC1 472774199 QHJITGASUGTJMF-UHFFFAOYSA-N 290.382 3.513 30 20 CHED CC(=NNC[C@@H]1CCSC1)C(C)(C)c1ccc(F)cc1 811662409 KHWFYTKIWIKAPQ-ZDUSSCGKSA-N 294.439 3.822 30 20 CHED Cc1sccc1C=NNCc1cccc(Cl)c1 814867862 PPJVPKJRXPHLFF-UHFFFAOYSA-N 264.781 3.834 30 20 CHED C[C@H]1SCCC1=NNc1ccccc1OC(F)(F)F 814906595 BBIYSVLSEVGLPT-MRVPVSSYSA-N 290.310 3.879 30 20 CHED C=CCCOCCNC(=O)c1cc2cccc(C)c2s1 561744122 MJMOXFVYZJIATF-UHFFFAOYSA-N 289.400 3.532 30 20 CHED CC(=NNc1ncccc1F)c1nccc2ccccc12 811650367 WNTDZTMCGOPWNT-UHFFFAOYSA-N 280.306 3.605 30 20 CHED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc(C)c1F 489030538 HUROFIOGVNIYSP-DIFFPNOSSA-N 288.366 3.645 30 20 CHED Fc1ccc(C(C[C@H]2CCCO2)=NOCC2CC2)cc1 814243782 NCNJVJBDEWDKDY-OAHLLOKOSA-N 277.339 3.526 30 20 CHED CCCC(=NNc1cnc2ccccc2n1)c1cccnc1 814830990 XCEJMTXTCRMFNJ-UHFFFAOYSA-N 291.358 3.641 30 20 CHED Cc1ccc(Oc2ccc(NC(=O)CCCC#N)cc2)nc1 812540105 RUSHRMVWWWHUSH-UHFFFAOYSA-N 295.342 3.815 30 20 CHED Cc1cc(CN2CCc3ccc(F)cc3C2)ccc1C#N 488107387 GLXKFJMAKYJKFE-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CC1(C)CC(=NNc2ccc(F)c(F)c2F)C(C)(C)O1 814945686 LFTYJVXTCRQLMJ-UHFFFAOYSA-N 286.297 3.849 30 20 CHED C#C[C@H](NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(Cl)cc1 811948396 DWCYOPPZHKIESI-KFWWJZLASA-N 287.790 3.567 30 20 CHED FC(F)C(Cc1ccccc1)=NOC/C=C\Cl 811669527 FWNZSXGPTOFVCB-VNJYQNSASA-N 259.683 3.619 30 20 CHED C=CCC(C)(C)CNCc1ccc(N(C)CCC#N)cc1 815141651 FILRIXWERSHYCU-UHFFFAOYSA-N 285.435 3.728 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC 485568222 KBKUXPHTOMZONE-GFCCVEGCSA-N 294.782 3.921 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 814324593 OHQBPBMMUYYIKB-ZWKOTPCHSA-N 298.430 3.550 30 20 CHED C=CCN(C(=O)Cc1ccc(C)c(OC)c1)c1ccccc1 484230739 HYFSKPPVFDJMDR-UHFFFAOYSA-N 295.382 3.765 30 20 CHED N#Cc1c(N[C@H]2CCC[C@@H](F)C2)nc2cc(Cl)ccn12 574914079 XXNYIXPMIRZMHS-MNOVXSKESA-N 292.745 3.552 30 20 CHED Cc1cc(Cl)cc(C=NOCc2cccnc2)c1 814882092 GGJFBKRSPWJWGT-UHFFFAOYSA-N 260.724 3.594 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(C3CC3)c2)n(C)n1 817345328 FEYVINDDJSPSQX-RMKNXTFCSA-N 266.344 3.502 30 20 CHED CCOC(=O)c1ccc(NN=C(C)c2ccoc2)cc1C 812230262 XHWPRYJYCZUBOP-UHFFFAOYSA-N 286.331 3.601 30 20 CHED C=CCC(F)(F)C(=O)N1CCCc2cc(Cl)ccc21 815048725 ZMDPDJCHUDMQCR-UHFFFAOYSA-N 285.721 3.831 30 20 CHED c1ccc(C[C@H]2CCC(=NNCCc3ccncc3)C2)cc1 814924327 KIXDANNBMNVUME-GOSISDBHSA-N 293.414 3.613 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)C1 488459093 CSLCJXVZCXARKI-SPUZQDLCSA-N 268.404 3.995 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc(Br)cc1C 815731336 FVGRDKDYFZITJU-UHFFFAOYSA-N 297.196 3.693 30 20 CHED COc1cccc(C=NOC/C=C\Cl)c1OC(C)C 811669984 LTXUMYQKOWRYGM-ACGFNPAOSA-N 283.755 3.585 30 20 CHED N#Cc1ccc(OCCOc2ccccc2Cl)c(F)c1 486703564 SOVZNJAHFUVBNU-UHFFFAOYSA-N 291.709 3.809 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 489076235 PQHYNUGOMZAIOV-BMFZPTHFSA-N 298.430 3.984 30 20 CHED C=CCCCCN1CCC(O)(Cc2cccc(F)c2)CC1 578412573 VOVUHIJQUWWNRK-UHFFFAOYSA-N 291.410 3.551 30 20 CHED C#C[C@H](NC(=O)Nc1ccc2oc(C)c(C)c2c1)C(C)C 821566055 QEIPPKQDLYPOMA-HNNXBMFYSA-N 284.359 3.829 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)CCCC(F)(F)F)CC1 494804037 AMXJUHRGPGTIIZ-LLVKDONJSA-N 292.345 3.715 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccsc2)C1 661134057 YDFIJAUJXWKFOL-QWHCGFSZSA-N 278.421 3.807 30 20 CHED COc1ccccc1N(C(=O)CCCCCC#N)C(C)C 589813383 MICQCKRYTQXHTC-UHFFFAOYSA-N 288.391 3.911 30 20 CHED Cc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)ccc1F 729097984 OORQHZMRBHLYEQ-GFCCVEGCSA-N 283.302 3.924 30 20 CHED CCCOc1ccc([C@H](C)NCC2(C#N)CCC2)cc1 903032159 QXCPFAWDGUDHQV-AWEZNQCLSA-N 272.392 3.820 30 20 CHED C=CC[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1ccncc1 734682394 COWYNHOIYVTAHN-ZFWWWQNUSA-N 299.374 3.694 30 20 CHED CCc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)s1 731156524 GSHVJUJVMVFTHZ-RIYZIHGNSA-N 272.325 3.632 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccccc2CC)no1 904541192 YILMXMKOHWJOLY-CQSZACIVSA-N 271.364 3.655 30 20 CHED C/C=C/C=C\C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 491543475 BPGDLKHKZDKKFH-VNVVFCSDSA-N 295.169 3.807 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)C1CC1 839892772 ZZTJDZMOTHPAEU-PBHICJAKSA-N 271.404 3.726 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(C)=O)c(C)c2)n1 903695063 NUTKMKPRJSFNGL-UHFFFAOYSA-N 270.332 3.756 30 20 CHED Cc1cc(C)c(C(=O)N(O)Cc2ccc(F)cc2)s1 901371689 HOWXABWCMVTJFR-UHFFFAOYSA-N 279.336 3.536 30 20 CHED C=CCOc1cccc(C=NOCc2ccccc2)c1 839421149 ASJKOSRQWRCBQV-UHFFFAOYSA-N 267.328 3.802 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccccc1OC(C)C 588028280 PRYQMPGLEOWTQF-CYBMUJFWSA-N 261.365 3.617 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC(C)(C#N)CC2)o1 834949799 NBVKMFOTFZUJFC-UHFFFAOYSA-N 285.351 3.541 30 20 CHED Cc1cccc(C(=O)OCc2ccc(OCC#N)cc2)c1C 733391927 RIHOPSGFIJXCTB-UHFFFAOYSA-N 295.338 3.563 30 20 CHED C#CCOc1ccccc1[C@H](C)OC(=O)c1cc(C)oc1C 730426404 WKTJPLQDPWXUJP-ZDUSSCGKSA-N 298.338 3.826 30 20 CHED Cc1ccc(C(=O)N(O)Cc2cccc3ccccc23)cn1 900091716 JUJVHHXVGOBWPS-UHFFFAOYSA-N 292.338 3.575 30 20 CHED C[C@H](CCC#N)N1CCC(c2ccc(F)cc2)CC1 839503363 RWCQBZWEGDQKIZ-CYBMUJFWSA-N 260.356 3.697 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)C2CCC2)n1 838812234 UWFPSPPSYHWDIS-CMPLNLGQSA-N 276.405 3.879 30 20 CHED C=C(C)CCc1noc([C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 904069893 QDLBBOIQEXUEKT-KBPBESRZSA-N 299.330 3.758 30 20 CHED C#CCOc1ccc([C@H](C)OC(=O)/C=C/c2ccco2)cc1 730431109 VVZGMVWZDNRWOU-VNDWYCCKSA-N 296.322 3.609 30 20 CHED C=CCC(F)(F)C(=O)N1c2ccccc2SC[C@@H]1C 839296315 CRUDYHBBWYCARA-JTQLQIEISA-N 283.343 3.725 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H]2CC[C@H](C)CC2)cc1 731041601 JKAYFMDFZRXACM-DZKIICNBSA-N 272.392 3.646 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1ccc(C#N)cc1OC 581166928 ZCZFHQMWFXQURV-MRXNPFEDSA-N 274.364 3.722 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C\c1cccs1 588411007 KRUWKZODNXSDBQ-LAUAKBEESA-N 298.367 3.691 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 837593794 XXZYMXVWWUZRDN-GOEBONIOSA-N 287.378 3.628 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 735534705 OMDAPRKWJHLKRH-KBPBESRZSA-N 264.752 3.953 30 20 CHED C=CCNC(=O)CCCCc1ccc(C(C)(C)C)cc1 588835660 ZZYMVKBCAJMXDI-UHFFFAOYSA-N 273.420 3.999 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 839060925 ZYGNMWHKDQMBMY-BJKJVOPESA-N 287.334 3.555 30 20 CHED CC(C)(C)C#CC(=O)N1CCCCC[C@@H]1c1ccco1 837430626 YKYYDOWOCHHGBR-CQSZACIVSA-N 273.376 3.773 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1 835077688 VSWICFMOZHRSAQ-UPJWGTAASA-N 282.343 3.830 30 20 CHED CCCC[C@@H](CCC)CNC(=O)N1CCC[C@H](CC#N)C1 595553502 IZUMMXWQCXDGKI-HZPDHXFCSA-N 293.455 3.928 30 20 CHED C/C=C/C=C/C(=O)N(CC(C)C)c1ccc(C#N)cc1 914510760 WFDKDAXWTWUSRK-YTXTXJHMSA-N 268.360 3.680 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@]1(C)CC1(Cl)Cl 830696284 DIBQGKMMVAAYTO-ZYHUDNBSSA-N 276.207 3.528 30 20 CHED CC(=NNCC(F)F)c1ccc(Cl)cc1Cl 740618127 UBHJMVRJGNTTTK-UHFFFAOYSA-N 267.106 3.572 30 20 CHED CCCCN(CCCC)C(=O)c1ccc(C=NOC)cc1 915201257 NPQJDZMQYGKOAD-UHFFFAOYSA-N 290.407 3.709 30 20 CHED Cc1ccc2oc(C(=O)OCC3(CC#N)CC3)cc2c1 744276081 LGZOJEREWOHPGA-UHFFFAOYSA-N 269.300 3.592 30 20 CHED CCCCCCCC(=O)NCCOc1cccc(F)c1 915083821 AQVJBVRDHHFBRV-UHFFFAOYSA-N 281.371 3.681 30 20 CHED C[C@H]1CCC(=NNc2cc(CO)ccc2Br)C1 841654962 QHWJYQQTBWTYNI-VIFPVBQESA-N 297.196 3.529 30 20 CHED C[C@@H]1CC(=NNc2cccc([N+](=O)[O-])c2)C[C@H](C)C1 747744327 LYBFLXOGDILYBC-PHIMTYICSA-N 261.325 3.819 30 20 CHED Cc1n[nH]cc1C=NN=C1c2ccccc2-c2ccccc21 915957460 ZBOQBWJAJLLODK-UHFFFAOYSA-N 286.338 3.570 30 20 CHED CC(C)(C#N)C(=O)OCc1c(Cl)cccc1Cl 919352496 HBZKGDVOVXIFEQ-UHFFFAOYSA-N 272.131 3.586 30 20 CHED CC[C@H](C#N)OC(=O)c1c(Cl)cccc1OCC1CC1 910263517 PSXCVOYIQBQYRQ-LLVKDONJSA-N 293.750 3.588 30 20 CHED CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCCCCC#N 744140551 JIVWNDLUFQTNKZ-ILXRZTDVSA-N 281.396 3.597 30 20 CHED N#CCCCCc1nc(-c2ccc(N3CCCC3)cc2)no1 594539808 NPGIAWNJAHGJKQ-UHFFFAOYSA-N 296.374 3.573 30 20 CHED C=C[C@H](C)ONC(=O)N(C)Cc1csc2ccccc12 845635346 ZVKUTMZEJQCBFP-NSHDSACASA-N 290.388 3.549 30 20 CHED Cc1ccccc1[C@@H](NC[C@@H](O)CC(C)(C)C#N)C(C)C 598603016 ROROUAPXFPCOLZ-RDJZCZTQSA-N 288.435 3.583 30 20 CHED CCCCCCCN1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 740875897 KZYBEQZPBFONKA-KSZLIROESA-N 296.499 3.530 30 20 CHED CC[C@]1(C)CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 594309716 HPHNAWHAZVGLNJ-HNAYVOBHSA-N 298.430 3.776 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)C1CCCC1 595647097 UEOCKBSSSDVAOD-HOCLYGCPSA-N 291.439 3.681 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 745233681 IJVSAEHAMGBQKY-NWDGAFQWSA-N 266.287 3.578 30 20 CHED C[C@H](OC(=O)[C@H]1CCSc2ccccc21)C(C)(C)C#N 842325879 WHXUTHLTGTVRGC-AAEUAGOBSA-N 289.400 3.747 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccccc1C 743450152 MIWCZWBYYCMEDC-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 593520109 JSGIWXGHCVXPIC-IINYFYTJSA-N 294.345 3.718 30 20 CHED N#C[C@@]1(F)CCN(CC(c2ccccc2)c2ccccc2)C1 590363742 HUFAMRGZWJWYIC-IBGZPJMESA-N 294.373 3.756 30 20 CHED O=[N+]([O-])c1cccc(NN=CC2CCCCCC2)c1 741837017 HIMQUJZSVZEYDB-UHFFFAOYSA-N 261.325 3.963 30 20 CHED C(=NNc1ncnc2sc3c(c12)CCC3)C1CCCC1 741836830 JBTNVCHTZYVJAA-UHFFFAOYSA-N 286.404 3.768 30 20 CHED C=CCC1(C(=O)NCCCCc2ccccc2)CCC1 682853334 VHTOLXLADDJIMS-UHFFFAOYSA-N 271.404 3.872 30 20 CHED C#CC1CCN(C(=O)c2ccc(C)c(Cl)c2Cl)CC1 843699743 WGHACWTTWOQFKP-UHFFFAOYSA-N 296.197 3.787 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 842285003 ORPOSUJKWWEGLQ-HOTGVXAUSA-N 299.418 3.876 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnc(OC(C)C)c(Cl)c1 684939859 XCONHQSXOOBCSG-GFCCVEGCSA-N 296.798 3.607 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@H](C)c1ncccn1 929131158 MRXSDIPNILYENU-LLVKDONJSA-N 293.823 3.941 30 20 CHED FC(F)C1CCC(=NNc2ccnc(Cl)c2)CC1 853394839 AFFSYKAGHYZXGE-UHFFFAOYSA-N 273.714 3.958 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1CCCSC1 685844842 NSCGUJMYYLCZRE-AWEZNQCLSA-N 275.417 3.887 30 20 CHED Fc1cc(F)c2c(c1)C(=NNc1nc3ccccc3[nH]1)CC2 752719083 PUDAXFXMRYBWBU-UHFFFAOYSA-N 298.296 3.604 30 20 CHED Cn1c(Cl)cnc1/C=C\C(=O)c1ccc(Cl)s1 752890659 WJCZJNXWCIYAHI-DJWKRKHSSA-N 287.171 3.685 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(Cl)c(F)c1 751528371 BNUNXEHPKHAOMH-SNVBAGLBSA-N 270.735 3.694 30 20 CHED c1ccc2c(c1)CCCCC2=NO[C@H]1CCCCO1 755825649 ZOLXKFVULDIKNO-INIZCTEOSA-N 259.349 3.660 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(SC)cc1)c1ccccc1 757579012 NTKXPLOZQZXLIF-QGZVFWFLSA-N 295.407 3.903 30 20 CHED C=C[C@H](CC(=O)OCCCCC(C)=O)c1ccccc1 758913333 QUQRMDTWCMFLIZ-OAHLLOKOSA-N 274.360 3.649 30 20 CHED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1ccccc1O 757474096 IVELUGKCRBLPRV-VOTSOKGWSA-N 298.729 3.589 30 20 CHED C[C@@H](C(=O)OCc1cc(C#N)ccc1F)C1CCCC1 750206727 RJSSNXAZNABANT-LLVKDONJSA-N 275.323 3.567 30 20 CHED C=CCCOCC(=O)O[C@@H](CC)c1ccc(C)cc1 920801857 WVRHKHDKQXPOJH-HNNXBMFYSA-N 262.349 3.582 30 20 CHED O=C(O)c1cc(NN=C2CCCSCC2)ccc1Cl 853258621 WZTARNNUAARAQE-UHFFFAOYSA-N 298.795 3.723 30 20 CHED CC(C)CN(CCO[C@@H](C)C#N)Cc1cccc(Cl)c1 856809521 DLYBHLHCGMZBGT-AWEZNQCLSA-N 294.826 3.727 30 20 CHED COCCC1(CN[C@@H](C)CC(C)(C)C#N)CCCC1 925271403 HACHXPSAJJVBAS-AWEZNQCLSA-N 266.429 3.501 30 20 CHED CCc1ncc(C=NNc2cc(F)c(F)c(F)c2)s1 752169753 YUWZPTGHIHMQJT-UHFFFAOYSA-N 285.294 3.569 30 20 CHED C#CC[C@@H](NC(=O)c1cc(Cl)cs1)c1ccccc1 758885688 XVSCNQKUPSELCS-CYBMUJFWSA-N 289.787 3.896 30 20 CHED Clc1ccc(NN=CC2CCOCC2)cc1Cl 755633846 OVANVEZZXSXUMQ-UHFFFAOYSA-N 273.163 3.818 30 20 CHED C#CCC(C)(C)C(=O)N(C)C/C(C)=C/c1ccccc1 756576004 URZSVHNOPUYINO-FYWRMAATSA-N 269.388 3.598 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NOCC1CCC1 853439534 KVWUJBIQKUDFNK-UHFFFAOYSA-N 276.336 3.720 30 20 CHED C/C(=C/C(=O)O[C@H](C)CC(C)(C)C#N)C(C)(C)C 851202878 MJEPOMNIKIKCMJ-NXIHDVOMSA-N 251.370 3.850 30 20 CHED C[C@@H](C=NNc1ncc(Cl)cn1)C1CCCCC1 857221370 XOVBURWCKYAMCT-JTQLQIEISA-N 266.776 3.744 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(OC)c(C)c2)c(O)c1 757472241 NKMVOECYKDIYBC-XBXARRHUSA-N 298.338 3.614 30 20 CHED C#CC[C@@H](NC(=O)NC1(C)CCCCC1)c1ccccc1 757773584 WJQTWUSQMHZLEB-MRXNPFEDSA-N 284.403 3.773 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2c([nH]c3ccccc23)C1 935119973 OVAYTVZWNXUTLD-CYBMUJFWSA-N 282.387 3.655 30 20 CHED CCCC[C@@H](CC)C(=O)Oc1ccc(C#N)c(OC)c1 767158859 XAZSBJGNUYMHFI-GFCCVEGCSA-N 275.348 3.689 30 20 CHED c1nc2c(s1)CCCC2=NOC1CCCCC1 863107911 CVIQIOULMXPOKL-UHFFFAOYSA-N 250.367 3.533 30 20 CHED C[C@H]1CCC(=NNCCc2ccccc2F)C[C@@H]1C 767388011 PQCQORBYNGLRHS-STQMWFEESA-N 262.372 3.770 30 20 CHED Cc1cc(C)c(C(=O)OCCCCC(C)(C)C#N)o1 768744080 AUJKHEZHRWIWLB-UHFFFAOYSA-N 263.337 3.773 30 20 CHED CC(C)O[C@H]1CC(=NNc2cnnc3ccccc23)C1(C)C 764910061 MZGUGKSPOOFNOC-INIZCTEOSA-N 298.390 3.621 30 20 CHED CCCCCCCNC(=O)CC1CCC(OC)CC1 862358209 YBCLIHMPOAMIRG-UHFFFAOYSA-N 269.429 3.668 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cn1)c1cncc(C)c1 767360079 QDPBLQJCNNQYNJ-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C#CCCCNc1ccc(Oc2ccccn2)cc1 766726874 BSINFMSKXDPHFY-UHFFFAOYSA-N 252.317 3.699 30 20 CHED C/C=C(/C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 760987486 PUTLUNWXKQIIIC-WPKZPIIRSA-N 274.320 3.578 30 20 CHED CCCCCCCNC(=O)[C@@]1(C#N)CC12CCCC2 862356345 WOSYQPQLIMMKNA-INIZCTEOSA-N 262.397 3.547 30 20 CHED C#C[C@@H](C)N(C)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 767236917 NEXSKYTWCXCLKP-CQSZACIVSA-N 297.398 3.887 30 20 CHED c1ccc2c(c1)CCC2=NNCc1cnc2ccccc2c1 764776341 XUAGRXIOWUZMEX-UHFFFAOYSA-N 287.366 3.675 30 20 CHED CCCCCCCC[S@](=O)Cc1noc(C2CCC2)n1 864482477 BYYNWYUBYBLAPI-FQEVSTJZSA-N 298.452 3.946 30 20 CHED FC(F)(F)CON=C1CCCC[C@@H]1N1CCCCCC1 764834451 CJMVNEXJQKELFG-ZDUSSCGKSA-N 292.345 3.740 30 20 CHED C=CC(C)(C)CC(=O)N(CCC(F)(F)F)CC1CC1 879112708 RSPFBRRYSBYIIG-UHFFFAOYSA-N 277.330 3.780 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnn(C)c1-c1ccccc1 879985108 UBFFWKXSAITZNM-UHFFFAOYSA-N 283.375 3.628 30 20 CHED C=C[C@H](CC(=O)N1C[C@H]2CC=CC[C@H]2C1)c1ccccc1 871520711 ORAUGIBAVCLNRU-NXHRZFHOSA-N 281.399 3.771 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(F)cc(Cl)c1 776397451 NLRCVUDVMZJIKH-UHFFFAOYSA-N 269.703 3.576 30 20 CHED N#CCCCCCC(=O)Nc1cnccc1C(F)(F)F 876486111 PGCYBUOGIBZINA-UHFFFAOYSA-N 285.269 3.513 30 20 CHED CC(C)c1cccc(C(=O)OCc2ccc(CC#N)cc2)n1 776114868 STCUIMFPFYULAV-UHFFFAOYSA-N 294.354 3.628 30 20 CHED N#Cc1cc(/C=C2/Cc3ccc(F)cc3C2=O)ccc1F 770572123 LWLIFTQZTIPVOR-XGICHPGQSA-N 281.261 3.659 30 20 CHED C#CCCCN[C@H]1CC=C(c2ccc(F)cc2)CC1 779400676 UWLZKDAZRDFRIC-KRWDZBQOSA-N 257.352 3.765 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NN1CCc2ccccc2C1=O 773208821 QFUXFFGZTZZENU-WMLDXEAASA-N 282.387 3.663 30 20 CHED CCOc1ccc(C(C)=NNc2nccnc2C(C)C)cc1 773090478 HJXADHVOYLFYSJ-UHFFFAOYSA-N 298.390 3.835 30 20 CHED C#C[C@H](C)NC(=O)c1sc(-c2ccccc2)cc1OCC 775385372 FNWREXCSNPHSDZ-LBPRGKRZSA-N 299.395 3.565 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(OCC#N)cc1 1116140629 OKINIEZHHWIWEH-QWHCGFSZSA-N 289.379 3.535 30 20 CHED Cc1c(NN=CC2(C(C)C)CC2)cccc1C(=O)O 872387964 XWWMGWMWJSQIRU-UHFFFAOYSA-N 260.337 3.527 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CC(C2CC2)C2CC2)cc1 1117537116 MBRKWRHHVJEHMA-SFHVURJKSA-N 296.414 3.756 30 20 CHED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 872133772 SOTLALZUSJBPIS-CCKFTAQKSA-N 294.398 3.721 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1ccnc(Cl)c1 779461121 VYURATKXJVSGLP-DAFODLJHSA-N 279.673 3.909 30 20 CHED CC(=NNc1ccccc1F)c1ccc(Cl)cn1 774371568 OVJIGSOXMLOAPN-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C[C@@H]1CCc2c(sc(NC(=O)c3ccoc3)c2C#N)C1 57788344 SQMIUHMIGAQGRQ-SECBINFHSA-N 286.356 3.590 30 20 CHED CCC(=O)c1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)cc1 776397879 QMLUXNOPNQTJIQ-KRWDZBQOSA-N 299.370 3.909 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccncc2CC)ccc1O 776191707 JQMAEBKNVZZVEX-ALCCZGGFSA-N 297.354 3.644 30 20 CHED CCC[C@H](C(=O)[C@@H](C#N)c1nccn1CC)c1ccccc1 1123234184 RNIXMRPYMQQQGQ-JKSUJKDBSA-N 295.386 3.663 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1sccc1C#N 1127050552 OTJJOUBZJYYLEN-GFCCVEGCSA-N 278.421 3.956 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)c1ccc(C#N)[nH]1 1122717890 OYFQLJNNXHODIF-XHDPSFHLSA-N 280.327 3.600 30 20 CHED C=C(C)CCC(=O)N1[C@H](C)Cc2cc(OC)ccc2[C@H]1C 1120717592 SBOWLQBCDFUBLL-ZIAGYGMSSA-N 287.403 3.886 30 20 CHED CO[C@H](C(C)=NNc1ccc(Cl)nc1)c1ccccc1 782237718 BLJHUEDQTDCOJY-OAHLLOKOSA-N 289.766 3.911 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nn(C(C)C)cc1Cl 894879895 DJNDZXVFOJROGY-CYBMUJFWSA-N 269.776 3.658 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(OC(F)F)cc1 781844361 ZTEGWYAPZVLFOB-UHFFFAOYSA-N 297.301 3.775 30 20 CHED C=CCCCCCC(C)=NNc1ccc(-n2cccn2)nn1 788993628 BEPHPKPTIJTCAB-UHFFFAOYSA-N 298.394 3.587 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2scnc2C2CC2)cc1 782301133 KGEBBHHLLKRODU-BQYQJAHWSA-N 280.352 3.788 30 20 CHED CC(C)(C#N)CCCOC(=O)CCC(=O)c1cccs1 782009234 XMHHYOYPACTKSV-UHFFFAOYSA-N 293.388 3.584 30 20 CHED CC(=NNc1ncncc1Cl)c1cc(C)c(C)cc1C 780283303 SDSAMUYTDKJWPE-UHFFFAOYSA-N 288.782 3.891 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc(N[C@H](C)C(C)C)c1C 781187009 LYCAWZUIXNUFDQ-ZIAGYGMSSA-N 288.391 3.910 30 20 CHED CCN(Cc1ccccc1Cl)C(=O)C1(C#N)CCCC1 75434381 MPZAMCGZAQITCI-UHFFFAOYSA-N 290.794 3.772 30 20 CHED CC(C)[C@@H](C)N(C(=O)c1ccc(C#N)o1)c1ccccc1 894227049 WTLFMHLBLWOCBK-CYBMUJFWSA-N 282.343 3.843 30 20 CHED C=CCC[C@H](C)Nc1cccc([S@@](C)(=O)=NC)c1 895736152 QZTSJITZNDASSH-KPZWWZAWSA-N 266.410 3.540 30 20 CHED Cc1cccnc1NN=C1CCc2c(Cl)cccc21 790187269 UGOIHDWLSBCVLC-UHFFFAOYSA-N 271.751 3.806 30 20 CHED CC(C)Cc1ccccc1C(=O)Nc1cc(CC#N)ccn1 790781759 RGOXMUBJEFUUFA-UHFFFAOYSA-N 293.370 3.598 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(C#N)c1)CC2 799333595 UXKRKANHSHXZDT-GOSISDBHSA-N 290.366 3.592 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)C2CCCCC2)cc1C#N 799374461 ANTJZIMEGVOSCR-AWEZNQCLSA-N 284.403 3.908 30 20 CHED C#CCN(C(=S)Nc1cccc(F)c1)C1CCCCC1 899462583 ISZOIPLEKSLACC-UHFFFAOYSA-N 290.407 3.790 30 20 CHED Cc1cc(C(=O)/C=C/c2nccn2-c2ccccc2)oc1C 799895131 MMIBACDZVRDLSB-CMDGGOBGSA-N 292.338 3.978 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 593409782 ZDVSBORCMZNLCT-RISCZKNCSA-N 276.355 3.579 30 20 CHED CC(Cc1cccc(C(F)(F)F)c1)=NOCC(F)F 799113358 MZKVZEXWDIABJC-UHFFFAOYSA-N 281.224 3.906 30 20 CHED COC[C@@H](Sc1cc(C)ncc1C#N)c1ccccc1 897002469 BJUMTQLDQPDOJO-MRXNPFEDSA-N 284.384 3.742 30 20 CHED C[C@H](NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C 793115276 QLRSBXGEHXXLBA-VIFPVBQESA-N 283.759 3.606 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(CC#N)cc1 271369879 MOJBUCZTEMLDNN-DOMZBBRYSA-N 271.364 3.547 30 20 CHED Fc1cccc(C=NOCCCCC2CCOCC2)c1 799174181 DNGOQZJWVNCIAA-UHFFFAOYSA-N 279.355 3.773 30 20 CHED C[C@@H](NCCCC#N)c1ccc(F)c(Br)c1 273265565 NTMWOOMLWWJYPL-SECBINFHSA-N 285.160 3.543 30 20 CHED COc1ccccc1CON=C(C)Cc1ccccc1F 799117741 OFVOKAKRWGJENZ-UHFFFAOYSA-N 287.334 3.970 30 20 CHED C=C(Br)CNCc1ccc(C(F)F)cc1 168215285 ZNUNSAFFFDJGLL-UHFFFAOYSA-N 276.124 3.622 30 20 CHED Cc1ccc(/C=C2\COc3cc(F)ccc3C2=O)s1 794728233 MZZRSIZZOWCLKW-UXBLZVDNSA-N 274.316 3.854 30 20 CHED C=C(C)CCOC(=O)c1ccc2nccc(C)c2c1 797077291 DNVZOGIAYBTHDT-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C=CCC1(C(=O)OCc2ccn(-c3ccccc3)n2)CCC1 791557381 DFKKIDLSHXACFC-UHFFFAOYSA-N 296.370 3.662 30 20 CHED C(=NNc1ccc2ccccc2n1)[C@@H]1CCCSC1 794858228 ABNYYCRNDXTPNK-LBPRGKRZSA-N 271.389 3.776 30 20 CHED CC[C@@H]1C[C@H]1COc1ccc(Br)cc1C#N 723110788 SNAKUNAHGSYNOW-KOLCDFICSA-N 280.165 3.746 30 20 CHED CC(C[C@@H]1CCOC1)=NN1CCC(C(C)(C)C)CC1 790178526 ABYYPDDZWVUHKL-AWEZNQCLSA-N 266.429 3.547 30 20 CHED CCC[C@@H](CC)NC(=O)Nc1cc(C)cc(C#N)c1 1310873681 XSMCREVQLLGNSS-CYBMUJFWSA-N 259.353 3.567 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 1328078025 RRJOKTRCFXUPEG-TZMCWYRMSA-N 275.392 3.664 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)c2csc(C#N)c2)C1 1326488657 LORDSJFVMJNELM-GFCCVEGCSA-N 276.405 3.518 30 20 CHED C[C@H](c1noc(-c2csc(C#N)c2)n1)C(C)(C)C 1326622164 DFNFIVIQPFZZFD-MRVPVSSYSA-N 261.350 3.819 30 20 CHED Nc1nc2c(s1)C(=NNc1ccccc1Cl)CCC2 1327797284 DUXFCNRKBCSEGO-UHFFFAOYSA-N 292.795 3.531 30 20 CHED CCCCc1ccc(OC(=O)c2ccc(C#N)c(C)n2)cc1 1323016556 RKSOCUUAQMIVSM-UHFFFAOYSA-N 294.354 3.824 30 20 CHED CN(C)c1cccc(Cl)c1C=NOCCC(F)(F)F 1320461215 MDEFWLCSEZNMNV-UHFFFAOYSA-N 294.704 3.709 30 20 CHED Cc1ccc(NN=C2CCCOCC2)cc1Cl 1323346437 YXCFAVJXXQUXDK-UHFFFAOYSA-N 252.745 3.617 30 20 CHED Cn1cc(-c2ccc(/C=C\c3ccncc3C#N)cc2)cn1 1327843237 PDZCFWXRTWFHDZ-DAXSKMNVSA-N 286.338 3.524 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1Cc2ccc(C)cc2S1 1323476537 UIHCQMJNYPQBQP-CJNGLKHVSA-N 289.444 3.873 30 20 CHED CCO[C@H](c1noc(-c2cccc(C#N)c2C)n1)C(C)C 1337834747 WRHBCERZRKGAFK-AWEZNQCLSA-N 285.347 3.650 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H]1CCCC(F)(F)C1 1262809775 PKQZTRQGQQEUTM-OLZOCXBDSA-N 271.351 3.769 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)CCCCc2ccccc2)C1 1342731418 XDSNOEXGNYEBJB-CVEARBPZSA-N 271.360 3.635 30 20 CHED CCCn1nc(C)c(-c2csc(CC#N)c2)c1C 1345169039 MFQSSIBSKIUYOA-UHFFFAOYSA-N 259.378 3.705 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc2[nH]ccc12 1347523410 XMMATJLELOAMGY-ZDUSSCGKSA-N 268.360 3.739 30 20 CHED C[C@@H](N(C)C(=O)c1cccc(SCC#N)c1)C(C)(C)C 1358325635 RDFGRCXYBXQGAJ-GFCCVEGCSA-N 290.432 3.809 30 20 CHED CCCc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 1353640719 MNVOGIVGMOQOJW-UHFFFAOYSA-N 282.318 3.902 30 20 CHED N#CC[C@H](OC(=O)C1(C(F)(F)F)CCC1)c1ccco1 1518001147 KUIGIVDLIAAWFY-JTQLQIEISA-N 287.237 3.510 30 20 CHED C=C(C)CCC(=O)OC[C@@H]1CCO[C@@H]1c1ccccc1 1518160826 PSFATZCSISZLCG-DOTOQJQBSA-N 274.360 3.664 30 20 CHED CCC[C@]1(C)CCCN(Cc2cc(C#N)ccc2OC)C1 1459574373 ODVDRXMPPQZBCX-GOSISDBHSA-N 286.419 3.969 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1cc(C#N)cs1 1520757182 RQHPPQWECHJTPW-ZDUSSCGKSA-N 276.405 3.661 30 20 CHED C=C(C)C[C@H](C)C(=O)O[C@@H](C(=O)O)c1cccc(Cl)c1 1602747730 ZQDZCUDUWXURRG-GXFFZTMASA-N 296.750 3.611 30 20 CHED CC[C@H](NCc1cccc(C#N)c1F)c1ccccc1 223625692 FMLGGYCFTWNSKU-INIZCTEOSA-N 268.335 3.938 30 20 CHED N#CCc1ccccc1C(=O)Nc1nc2ccccc2s1 1463747532 ZVJFNYJJBYIKCT-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C[C@@H](NCc1cc2ccccc2n1C)c1ccc(C#N)cc1 1461109844 LBXARCWQCPJGKQ-CQSZACIVSA-N 289.382 3.901 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCCC2CCCC2)C1 1460798160 PTAHQBKXPRIQTD-GJZGRUSLSA-N 263.381 3.972 30 20 CHED N#CCc1ccc(C(=O)Nc2cscc2Cl)cc1 1533985125 HFSTZNXNRHCRQU-UHFFFAOYSA-N 276.748 3.720 30 20 CHED C=C(CC)C(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 1548677595 GSMIRCWSTXJIMT-ZFWWWQNUSA-N 255.361 3.634 30 20 CHED CCCN(CCN1CCC(C)CC1)Cc1ccc(C#N)cc1 1473106368 OZCRPRVZGSYVKC-UHFFFAOYSA-N 299.462 3.502 30 20 CHED CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1Nc1ccc(C#N)c(C)n1 1472744739 CNDNRVHXECGZPN-XZJROXQQSA-N 287.407 3.513 30 20 CHED CCC[C@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccccc1 1473338238 SXWLFXQEDHLSBS-RBUKOAKNSA-N 294.398 3.723 30 20 CHED C[C@@H]1[C@@H](CNC(=O)[C@@H](CC#N)c2ccccc2)CCC[C@H]1C 1542595908 WMXURZBPNNEAIK-ATLSCFEFSA-N 298.430 3.872 30 20 CHED CC[C@H](CNc1cc(C)c(C#N)cn1)Oc1ccccc1C 1559120695 GJAWDQSACJXOFR-MRXNPFEDSA-N 295.386 3.840 30 20 CHED CNc1ccc(C)cc1CNc1cccc(CC#N)c1 1656262095 SVGVGSBCYUEQST-UHFFFAOYSA-N 265.360 3.715 30 20 CHED Cc1ccc(C#N)c(N[C@@H](C)c2cc(F)ccc2N(C)C)n1 1651530968 SWSMEYAQZCRHLZ-LBPRGKRZSA-N 298.365 3.640 30 20 CHED N#Cc1cc(F)cc(NCc2ncc(-c3ccccc3)[nH]2)c1 1651425283 KYEFGSCJTVHGBA-UHFFFAOYSA-N 292.317 3.700 30 20 CHED Cc1ccc(F)c(CCNc2cccc(F)c2C#N)c1 1651855378 WEJPTWDUXQKYIR-UHFFFAOYSA-N 272.298 3.800 30 20 CHED COc1cc(CN2CC[C@@H](C3CCCC3)C2)ccc1C#N 1658388627 YLOMPMMAPCCFOZ-QGZVFWFLSA-N 284.403 3.579 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2cccc(CC#N)c2)[C@@H]1C 1661888540 UYNUXHCQRLUWBZ-IIAWOOMASA-N 299.418 3.946 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(F)cc2C#N)C1 1667625180 UTXOZLFYVYNTHD-NEPJUHHUSA-N 289.354 3.645 30 20 CHED CCCCCCCCC(=O)NCc1ccc(C(=O)O)s1 1595704754 GNFSNXLPPUIBFY-UHFFFAOYSA-N 297.420 3.813 30 20 CHED CC[C@@H]1CCCC[C@H]1C=NNc1ccccc1C(=O)O 1776030973 GPNJTBYSGYBZSL-OLZOCXBDSA-N 274.364 3.999 30 20 CHED N#Cc1cccc(/C=C2\CSc3ccccc3C2=O)c1 14178936 DGYRZRPYDLLPEQ-NTEUORMPSA-N 277.348 3.930 30 20 CHED Cc1cc(C)cc(CNc2ccc(F)cc2OCC#N)c1 150764831 IBQYQMBWVDYBHM-UHFFFAOYSA-N 284.334 3.957 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@H]1CCCCC1(C)C 158720033 BGEIRXPFVVOWDM-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(OCC(C)C)cc1 163515631 SMNATLXIKNQWIU-INIZCTEOSA-N 291.435 3.965 30 20 CHED C#CCCCOC(=O)c1ccc(CCC(F)(F)F)cc1 152972895 RZRUZIXHQUMRBZ-UHFFFAOYSA-N 284.277 3.752 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 153153358 JLLFWIGONGBRKL-CZUORRHYSA-N 295.810 3.648 30 20 CHED C#CCCCCC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 155057590 GNOSYFPQFGMDJE-NSHDSACASA-N 277.330 3.663 30 20 CHED C=CCN(C)C(=O)N[C@H](CCC)CCc1ccccc1 155090443 QHHQUNJWAIUWND-MRXNPFEDSA-N 274.408 3.615 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(C(F)(F)F)c(C)c1 157559073 UGEUFVQCCXFKFM-JTQLQIEISA-N 299.296 3.828 30 20 CHED N#C[C@H](NC(=O)C1=CCCC1)c1cccc(Cl)c1Cl 157081432 VKNVJAGQMWZLKC-LBPRGKRZSA-N 295.169 3.785 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1ncc(-c2ccccc2)o1 155214874 QVTOUEXNRADEOH-KBPBESRZSA-N 283.375 3.884 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2cccc(-n3cccn3)c2)c1 157237083 OATFHEVVSYTAHZ-CMDGGOBGSA-N 299.333 3.640 30 20 CHED N#CC1(C(=O)Nc2cccc(-c3ncco3)c2)CCCCC1 155349966 AAWKXCOYPLTDCO-UHFFFAOYSA-N 295.342 3.754 30 20 CHED CC(C)(CCC(=O)Nc1ccc(C#N)cn1)c1ccccc1 156657853 IVUSBTRGKFMHFE-UHFFFAOYSA-N 293.370 3.650 30 20 CHED C=CCCCCNC(=O)c1oc(-c2ccccc2)nc1C 274659056 VFJMRVBUZSOWEL-UHFFFAOYSA-N 284.359 3.736 30 20 CHED N#C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 1203810290 CKZRWCQYEOZOJN-JTQLQIEISA-N 269.175 3.729 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@H]2CCCC[C@H]2C1 250772534 WQONMORLPMCKCU-OLZOCXBDSA-N 258.340 3.714 30 20 CHED CC(C)(C)[C@H]1CCCN(c2ccc(C#N)nc2)CC1 149419778 NQSSMAJGJGZSMA-ZDUSSCGKSA-N 257.381 3.606 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cccc(F)c1Cl 157938580 DKVXAYLCWIIEBY-UHFFFAOYSA-N 288.753 3.983 30 20 CHED Cc1cccc([C@H](C)NCc2cccc(C#N)c2)c1 37748911 BHQXXTYQYIRJER-AWEZNQCLSA-N 250.345 3.718 30 20 CHED Cc1cccc(OCc2cc(C#N)ccc2F)c1F 182962733 UTIGZXNADVDDAI-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC1C[C@H](C)O[C@@H](C)C1 657530983 VINBXOKCHJLSOB-AYDFFVQHSA-N 251.414 3.667 30 20 CHED C[C@@H](NC1CC(C(F)(F)F)C1)c1cccc(C#N)c1 348757370 UKHXXGACMNMUFU-UHEGKEBESA-N 268.282 3.550 30 20 CHED N#Cc1ccc(NCc2cccc(Cl)c2Cl)cn1 530693635 IFFFGXPACDZBSS-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=C(CC)CNCc1c(C)nn(Cc2ccccc2)c1C 449737165 YEOTUNZJRRZNLE-UHFFFAOYSA-N 283.419 3.604 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)c1ccc(C#N)cc1 487226449 CSZJWVWTHVYSCO-ZDUSSCGKSA-N 270.376 3.647 30 20 CHED C=CCCSCCNC1CCC(C(F)F)CC1 595061019 XDPHGCOTMQOIEY-UHFFFAOYSA-N 263.397 3.709 30 20 CHED C=CCCN(C)Cc1c(C(=O)O)sc2cccc(F)c12 382486603 VWCDBEBCIDYZLU-UHFFFAOYSA-N 293.363 3.747 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(-c2cccc(C#N)c2)n1 395034675 BHUYBJXPIOSUSZ-RISCZKNCSA-N 267.332 3.902 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(Cl)nn1 877487293 SJZNTSSXBKWBAK-UHFFFAOYSA-N 287.794 3.708 30 20 CHED C[C@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)C1CC1 175321720 LWPFZBZJFYIIGK-QPUJVOFHSA-N 297.185 3.720 30 20 CHED CC(C)C[C@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2n1C 171033482 YOMOUZFWLBKWPJ-KBPBESRZSA-N 297.402 3.822 30 20 CHED COCCOc1cccc(/C=C/C(=O)c2ccccc2)c1 59404684 ZBFBELPYUZVXJO-ZHACJKMWSA-N 282.339 3.608 30 20 CHED CCCc1nc(C[S@@](=O)CCCC(C)(C)C#N)cs1 178022941 DFWRPMWNTYEWNW-IBGZPJMESA-N 298.477 3.674 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(F)cc1Cl 178631692 BOODHNQZPLTABA-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCn1c(C)nnc1SC[C@@H]1CCCc2ccccc21 108953646 YXNGIQOFQIDONX-HNNXBMFYSA-N 299.443 3.985 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(F)c(C#N)c1 102954829 OQYBDLLKNSEHQM-CQSZACIVSA-N 289.354 3.740 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(OCC(=C)C)c1 117005497 BRYPITYKOUMGCC-ZDUSSCGKSA-N 274.364 3.728 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2ccccc2CC1 118400167 FRBRQAXMBIBATD-OAHLLOKOSA-N 276.383 3.720 30 20 CHED CC(C)(C)SCCNc1ncc(C#N)cc1Cl 66817366 UJAFHRZPMXAIDP-UHFFFAOYSA-N 269.801 3.550 30 20 CHED N#Cc1ccsc1C(=O)N[C@@H](c1ccccc1)C1CC1 52029518 VYTMNJADTMGSTG-AWEZNQCLSA-N 282.368 3.501 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccccc1 56212328 DEBCSWBULCMIEQ-UHFFFAOYSA-N 280.327 3.598 30 20 CHED Cc1ccc(NC(=O)COc2ccc(C#N)cc2C)c(C)c1 171071568 YJDYZXDNJPOEKV-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)c1ccccc1F 176404476 WISBIOUJXSQBAO-NSHDSACASA-N 298.317 3.535 30 20 CHED C=CCNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 112267804 UFNVGIAPAOVHKL-UHFFFAOYSA-N 289.281 3.673 30 20 CHED N#Cc1ccc(CNC2(c3ccccc3F)CC2)s1 176972495 DGDMYSVBNAOUME-UHFFFAOYSA-N 272.348 3.538 30 20 CHED C=CCn1c(C)nnc1S[C@@H]1CCc2ccc(F)cc21 178408847 PZFFYCUZONVZBY-CQSZACIVSA-N 289.379 3.691 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc2cc[nH]c12 178769697 VMGMBWMKBVSKOY-UHFFFAOYSA-N 275.311 3.600 30 20 CHED Cc1cc(C#N)ccc1OCc1cccc([N+](=O)[O-])c1C 110079308 MREICOBMTJTUIV-UHFFFAOYSA-N 282.299 3.662 30 20 CHED CO[C@@H](C)c1nc(CN(CCC#N)CCC(C)C)cs1 177689473 HMCAISOFQOAMGA-ZDUSSCGKSA-N 295.452 3.612 30 20 CHED C#CCN(Cc1nccn1C(C)C)[C@@H]1CCc2ccccc21 171626834 CWKLZMOWHJJZAN-GOSISDBHSA-N 293.414 3.587 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 171512587 KWUGQJAIHFXYJI-LSDHHAIUSA-N 276.424 3.791 30 20 CHED CC1CCN(CCCNc2c(Cl)cccc2C#N)CC1 303547723 ZPQBIKQKVLNDKH-UHFFFAOYSA-N 291.826 3.746 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@H]2C(C)C)c1 64532823 KCAOILPUOUEHGY-INIZCTEOSA-N 288.391 3.904 30 20 CHED C[C@@](O)(CNc1ccc(C#N)cc1)c1cccc(Cl)c1 302192095 ZLYPLZOEXQMKKA-MRXNPFEDSA-N 286.762 3.531 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2scnc2C)cc1 176846914 WIAVUTNDGZIZJT-MDZDMXLPSA-N 286.400 3.804 30 20 CHED CSCCCCC(=O)O[C@H](C)c1ccc(C#N)cc1 175795586 BSHZJBAJOCHIIY-GFCCVEGCSA-N 277.389 3.696 30 20 CHED CC(C)OCCNc1ccccc1S[C@@H](C)CC#N 178391555 KAWADQFTTVNFMJ-ZDUSSCGKSA-N 278.421 3.918 30 20 CHED N#Cc1ccc(N2CCC(CCc3ccccc3)CC2)cn1 301504452 CESBBUHHYZYRFV-UHFFFAOYSA-N 291.398 3.802 30 20 CHED N#Cc1ccc2nc(NCCC3CCC3)ccc2c1 301974848 KWFDPBHMKDKRSZ-UHFFFAOYSA-N 251.333 3.709 30 20 CHED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 185813462 WQCPGUHCKLOJEI-BBRMVZONSA-N 274.383 3.775 30 20 CHED C=CC[C@H](C(=O)N1CCCCCC1)c1ccccc1 189361323 FDZDEPILCNTOPO-INIZCTEOSA-N 257.377 3.749 30 20 CHED CCc1c[nH]c(S[C@@H](C)c2cccc(C#N)c2)n1 189856871 HOJGIYAZHZZJTL-JTQLQIEISA-N 257.362 3.697 30 20 CHED C#CCCOc1ccc(CN(C)[C@H](C)c2ccccn2)cc1 183674002 CBLCQXRFJJXENB-MRXNPFEDSA-N 294.398 3.677 30 20 CHED CC[C@@H](CC#N)NC(=O)C[C@@H](CC)c1ccc(C)cc1 183859694 NCENUULTJHZXJK-ZBFHGGJFSA-N 272.392 3.687 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCc2cccnc2)c1 127422889 SWRANJZGZPOUJW-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CC[C@@H](C#N)Nc1cccc(Cl)c1OC(C)C 122243853 AUQZPPXMAJSVBV-JTQLQIEISA-N 252.745 3.841 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(-c2ccc(CC)cc2)o1 79867399 OQVCOKBSPJHFEN-HNNXBMFYSA-N 296.370 3.931 30 20 CHED C=CCc1ccccc1OCc1nc(CCC(C)C)no1 505078077 HWDRFLMJESLOCU-UHFFFAOYSA-N 286.375 3.966 30 20 CHED N#Cc1ccc(N2CCCCCC2)cc1Br 219014879 ISWPTIDTXDGWKO-UHFFFAOYSA-N 279.181 3.701 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(COC(C)C)cc1 185265231 OYNARWYBMODNBM-UHFFFAOYSA-N 273.376 3.600 30 20 CHED C=C(C)[C@H](NCCc1cncs1)c1ccc(F)c(F)c1 411555542 NHXYHKVYWWXODG-HNNXBMFYSA-N 294.370 3.871 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(Cl)cc2C)n1 129986254 FVUFYTOIBAXTPL-GFCCVEGCSA-N 290.775 3.903 30 20 CHED CC#CCCCC(=O)NCCSc1ccc(Cl)cc1 184939084 NPBKLGFWGOXJNH-UHFFFAOYSA-N 295.835 3.742 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1cccc(F)c1 181397725 ROUOMDDDPLUCBL-ZDUSSCGKSA-N 278.371 3.712 30 20 CHED CC#CCCCC(=O)OCc1cc(C)nc2ccccc12 185263896 KUYVGMFFXJWYQE-UHFFFAOYSA-N 281.355 3.780 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C2CCCC2)CC1 187281535 OCVNIAKFWFIIKK-UHFFFAOYSA-N 276.424 3.791 30 20 CHED Cc1ccnc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1 184175824 UQMZGPZROUAEQI-HNNXBMFYSA-N 294.358 3.557 30 20 CHED CCOc1cc(F)ccc1NCc1ccc(F)c(C#N)c1 124121980 WREIOIWRGJTCCV-UHFFFAOYSA-N 288.297 3.847 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)cc2)cc(OC)c1O 33742070 PTQZPYCAVDTMQZ-TWGQIWQCSA-N 298.338 3.614 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 410128131 QBDZYZFZYFFOCF-JSGCOSHPSA-N 295.810 3.887 30 20 CHED CC/C=C/CCSCC(=O)Nc1cccc(C#N)c1 185718393 UKZQSTCJNYLWFT-ONEGZZNKSA-N 274.389 3.586 30 20 CHED C[C@H](CCCc1cccnc1)Nc1ccc(C#N)cc1 413394897 MZRDBCXYBKVDCB-CQSZACIVSA-N 265.360 3.777 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](CC)CC1CCCC1 415633941 WQWUTXGQNMJCFU-GJZGRUSLSA-N 264.413 3.744 30 20 CHED C=CCCN(OCc1ccccc1)c1ncccc1[N+](=O)[O-] 188545976 RDVXWNXEZIGETH-UHFFFAOYSA-N 299.330 3.504 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccnn2Cc2ccccc2F)C1 185887169 HBMBJCXZPZMGJZ-UKRRQHHQSA-N 298.365 3.565 30 20 CHED N#Cc1csc(CNC[C@H]2CCCCC(F)(F)C2)c1 491548976 TWZSKUKHAKKFIV-NSHDSACASA-N 284.375 3.925 30 20 CHED CC(C)CCOc1ccc(C(=O)/C=C/c2ccnn2C)cc1 219881284 ASKDMXMEOARWBM-RMKNXTFCSA-N 298.386 3.741 30 20 CHED C=C(CNC(=O)N(CC)Cc1occc1C)c1ccccc1 413544756 QPBIRQUMCMPAQP-UHFFFAOYSA-N 298.386 3.833 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(F)cc1F 189870774 HYQQZRXMZOEIQH-MEBBXXQBSA-N 267.319 3.744 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2Cc2ccc(C#N)o2)C1 505338733 QTOMEXRHTNTQNI-BLLLJJGKSA-N 258.365 3.552 30 20 CHED Cc1cc(OC(=O)C2(C#N)CCCC2)ccc1Cl 70808496 FKJWUKSXQBZJOJ-UHFFFAOYSA-N 263.724 3.638 30 20 CHED C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1cc2ccccc2s1 181286443 WPNXJRLACOAXBL-JTQLQIEISA-N 295.367 3.592 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC)c1ccc(C)cc1 78318571 RTACTAKMCWTCCH-INIZCTEOSA-N 272.392 3.830 30 20 CHED Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)cnc1Br 185896548 WAHJMMRFYHPRDX-GHMZBOCLSA-N 294.196 3.647 30 20 CHED CC[C@H](CC#N)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 184093937 JYDJAYPRDKBASM-CYBMUJFWSA-N 275.352 3.500 30 20 CHED CC#CCCCC(=O)Nc1sc(C)nc1CC(C)C 186037070 ARGGVSVWFHJGHN-UHFFFAOYSA-N 278.421 3.782 30 20 CHED COc1ccc(CC[C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 185803480 IBKJHQTWQPHECL-HYVNUMGLSA-N 286.419 3.688 30 20 CHED CC(C)(CCC#N)CNCCc1nc2ccccc2s1 74804917 ZECVTHWHRSAUCU-UHFFFAOYSA-N 287.432 3.758 30 20 CHED COc1ccccc1[C@@H]1CCCN1CC1(CC#N)CC1 602772827 KZEPEZCSAKXRMD-HNNXBMFYSA-N 270.376 3.526 30 20 CHED N#Cc1ccc(F)cc1COc1ccc(F)cc1F 130220057 RMHSJKTYDRSXDG-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC1=C(/C(O)=N/Cc2ccc3c(c2)C(O)=NCC3)CCC1 329463890 UHRUMLUTRSERRB-UHFFFAOYSA-N 284.359 3.504 30 20 CHED N#Cc1ccc(OCCCN2CCC[C@@H]3CCC[C@@H]32)cc1 87771002 IJXMWAUMFIDJMP-WMZOPIPTSA-N 284.403 3.592 30 20 CHED CC(C)c1scnc1N=C(O)[C@H]1CCO[C@@H]1C(C)C 329629895 WDLSQXPCERLYEA-WDEREUQCSA-N 282.409 3.916 30 20 CHED COc1cc(C#N)cc(Cl)c1OCc1cnc(C)s1 195167367 DUCABHZYRKZTNM-UHFFFAOYSA-N 294.763 3.564 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2ccccc2F)o1 84711826 OCDHSRXKOGBFKH-SNVBAGLBSA-N 273.263 3.545 30 20 CHED CC(C)Oc1cccc(CNCc2ccc(C#N)cc2)c1 40443741 JXBKNQSAUCWZCQ-UHFFFAOYSA-N 280.371 3.635 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(C)nc1)c1ccccc1 133687067 WQKMERGBLOGENF-QGZVFWFLSA-N 280.371 3.827 30 20 CHED Cc1ccccc1C1(C(O)=Nc2nnc(C)n2C2CC2)CC1 329047306 JUNFQLZBXFIZOB-UHFFFAOYSA-N 296.374 3.550 30 20 CHED CC1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 80937508 SBGSSDURPMUOEJ-DLBZAZTESA-N 296.414 3.700 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2cccc(C#N)c2C)C1 338137469 QNKGJEWTXHKZSH-SFHVURJKSA-N 284.403 3.909 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnn(CCC)c1C1CC1 424870856 VLAIMAARNHDAGQ-UHFFFAOYSA-N 275.396 3.711 30 20 CHED O=C(CC1CCCCCC1)NCC#Cc1cccc(F)c1 513207191 VUWXCJORWITDRW-UHFFFAOYSA-N 287.378 3.654 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(Cl)c(OC)c(OC)c1 426568707 SKPLYCPRGJNTAP-ZDUSSCGKSA-N 295.810 3.898 30 20 CHED CC(C)c1ccc(C(=O)NCC#Cc2cccc(F)c2)cc1 513217889 FMHREWWGWXPDQW-UHFFFAOYSA-N 295.357 3.731 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](CC)c1ccccc1 424564966 QEHWZKZACBRGFE-CQSZACIVSA-N 259.393 3.899 30 20 CHED CC[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCC1 333829999 KYXHJEAQQKCAMR-PBHICJAKSA-N 274.408 3.545 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC3(CCCCC3)C2)c1 333610451 DVKDQAIJGDCYGB-UHFFFAOYSA-N 283.375 3.665 30 20 CHED Cc1ccc2[nH]c(C(=O)N(C)c3cccc(C#N)c3)cc2c1 149359496 KFWRUXLMXGFLKY-UHFFFAOYSA-N 289.338 3.625 30 20 CHED CC(C)(CCC#N)CNCc1coc2ccccc12 266243669 YCQCODJQCCWKNM-UHFFFAOYSA-N 256.349 3.852 30 20 CHED C=CCNC(=O)N[C@H](CC1CCCC1)c1ccccc1 337625776 VDWJHXLNHVGRDX-MRXNPFEDSA-N 272.392 3.793 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 424727265 ALQROOBREYVNSG-UHFFFAOYSA-N 286.375 3.886 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc1 97993509 ZEYAOKSHMHMAOD-POHAHGRESA-N 298.338 3.696 30 20 CHED CCN(C(=O)c1c(F)cccc1F)c1ccc(C#N)cc1 336027060 PDDKQPBCXUNWTK-UHFFFAOYSA-N 286.281 3.503 30 20 CHED Cc1ccc2c(C(=O)N(C)CC(C)(C)C#N)csc2c1 335798260 RYAQCRHGNYZDSN-UHFFFAOYSA-N 286.400 3.832 30 20 CHED CC(C)CC[C@H](C)NCc1ccc(N(C)CCC#N)cc1 236620837 MXFWRNTVZLIQDE-INIZCTEOSA-N 287.451 3.951 30 20 CHED Fc1ccc(C#CCSc2ncc3ccccn23)cc1 433382294 NRHYTEASBDILML-UHFFFAOYSA-N 282.343 3.617 30 20 CHED N#Cc1ccc2c(c1)N(CCCOCc1ccccc1)CC2 516919161 AQQCMEQDXICPJR-UHFFFAOYSA-N 292.382 3.528 30 20 CHED Cc1cc(F)ccc1NC(=O)C1(c2cccc(C#N)c2)CC1 334186802 FQDZHXPAZOFWMB-UHFFFAOYSA-N 294.329 3.676 30 20 CHED N#Cc1ccnc(SC[C@H]2CCC3(CCCC3)O2)c1 336347582 QBIDUFKOFNXSLJ-CYBMUJFWSA-N 274.389 3.537 30 20 CHED C=CCOc1ccc(C(=O)N2CCS[C@@H]2CCC)cc1 345460678 IJKRJZDLSXETOY-OAHLLOKOSA-N 291.416 3.567 30 20 CHED C[C@H]1c2cc(F)cc(F)c2CCN1CCCSCC#N 344213785 IAQCNZFZFCYQQU-NSHDSACASA-N 296.386 3.531 30 20 CHED C=CCC[C@@H](NCCc1ccc(OC)cc1OC)C1CC1 439084033 HZXLFTDABHSTJS-QGZVFWFLSA-N 289.419 3.581 30 20 CHED C[C@@H](N(C)Cc1ccc(C#N)cc1OC(F)F)C1(C)CC1 437517303 JWEKZNVFDAXJMB-LLVKDONJSA-N 294.345 3.780 30 20 CHED Cn1cccc1[C@H]1CCCN1CC#Cc1cccc(Cl)c1 437642059 SSHZYKKUUBNXMB-GOSISDBHSA-N 298.817 3.867 30 20 CHED C=CCC[C@H](NC[C@H](C)Oc1cccc(OC)c1)C1CC1 438984335 DXUSKRGBPVDFIW-KSSFIOAISA-N 289.419 3.797 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N(CCC#N)CC2CC2)CC1 245505663 GGMFWSBTNPQFKU-WKILWMFISA-N 276.424 3.601 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc([C@H]3C[C@H]3C)o2)n1 522284748 ZVONWPRZFVYQNG-RISCZKNCSA-N 281.359 3.899 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCc2ccccc21 431702362 MSVLQDFLOCPYLR-QGZVFWFLSA-N 291.354 3.676 30 20 CHED CCc1ccc(S(=O)(=O)[C@@H](C)c2cccc(C#N)c2)cc1 340934095 VHRNWFPWQSZLIN-ZDUSSCGKSA-N 299.395 3.656 30 20 CHED C=CCCN(C)C(=O)c1ccc(SC2CC2)cc1 342512530 OYBYONUKBKMRIU-UHFFFAOYSA-N 261.390 3.589 30 20 CHED C[C@H](Nc1c(C#N)cccc1C#N)c1c(F)cccc1F 436320714 VBTWBZMCDIFAGT-JTQLQIEISA-N 283.281 3.881 30 20 CHED C#Cc1cccc(NCc2ccc(Cl)cc2[N+](=O)[O-])c1 50442979 ANDGBAAFYWSNMN-UHFFFAOYSA-N 286.718 3.842 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCCCC1CCCC1 602507351 GTPSWNQEVQDSHZ-OAHLLOKOSA-N 278.440 3.645 30 20 CHED Cc1ccnc(N[C@H](CCC#N)c2ccccc2)c1C#N 343502441 DTMMRKFRAOYDMT-MRXNPFEDSA-N 276.343 3.719 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1ccc(Cl)c(F)c1 602479963 CQBQKZBCVIGHEW-NSHDSACASA-N 268.763 3.851 30 20 CHED COCc1ccc(NC(=O)c2ccoc2C(C)C)cc1C#N 529818003 RUBREHYAXZHLHF-UHFFFAOYSA-N 298.342 3.673 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1ccc(O)c(F)c1 255714058 QRYDXQKXUTUZHX-KTAJNNJTSA-N 278.229 3.706 30 20 CHED CSc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccn1 344118287 ZBBXFPYUVIHNTQ-LBPRGKRZSA-N 283.400 3.526 30 20 CHED C[C@@H](CCC#N)N1CCc2cccc(C(F)(F)F)c2C1 528792287 CDMSQGBHTOSYCR-NSHDSACASA-N 282.309 3.756 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)Nc2n[nH]cc2C#N)cc1 601641524 RQKLCQWRZCJMOI-GFCCVEGCSA-N 296.374 3.537 30 20 CHED C=C(C)CN1CCC[C@H]1c1ccc(Br)cn1 340285375 XZBBMRKQWRQJTM-ZDUSSCGKSA-N 281.197 3.557 30 20 CHED CC(C)(C)c1cnc(/C=C\c2ccncc2C#N)s1 349105739 HFNITGIVMYNCTA-PLNGDYQASA-N 269.373 3.878 30 20 CHED C=C1CCN(C(=O)c2ccc(N(CC)CCC)cc2)CC1 342106711 PMUKDJZUKPKLPY-UHFFFAOYSA-N 286.419 3.715 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(C)c(Cl)c1Cl 448725706 PWKOPAABQBTNPK-VIFPVBQESA-N 299.201 3.924 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 607909703 AGDHZCCRVOGEII-MNOVXSKESA-N 285.309 3.890 30 20 CHED N#Cc1cc2c(nc1NCC1(c3ccccc3)CC1)CCC2 603847195 VVSLUCDUSMXIJX-UHFFFAOYSA-N 289.382 3.586 30 20 CHED CC1=NN(c2cccc(Cl)c2Cl)C(=O)[C@H]1CCC#N 601935733 XBQGXFKLCNGPKN-VIFPVBQESA-N 296.157 3.636 30 20 CHED CC#CCNC(=O)Nc1ccc(SC2CCCC2)cc1 443576010 AHJRCYFSECBAEH-UHFFFAOYSA-N 288.416 3.866 30 20 CHED C=CCN(Cc1ccccc1F)Cc1ccccc1C#N 604071632 NRCHQGMBRSDFQG-UHFFFAOYSA-N 280.346 3.886 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(F)cc2cccnc12 352478157 SXKKKRFAJIIQQX-UHFFFAOYSA-N 286.350 3.706 30 20 CHED CCN(CCNc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 357242342 VLWPNHJTDWNFGG-UHFFFAOYSA-N 299.340 3.719 30 20 CHED CCCCN(C(=O)CCCC#N)[C@H]1CCC[C@H](C)C1 359337122 RSZYYOWJFTXSQS-GJZGRUSLSA-N 264.413 3.888 30 20 CHED N#CCCCCCc1nc([C@@H]2Cc3ccc(F)cc32)no1 601393197 CDIMYBLVNGJRCA-CQSZACIVSA-N 285.322 3.523 30 20 CHED C=C(CC)CN[C@H]1CCC[C@H](c2ncccc2C)C1 449734059 LSTPEMBLAAWALP-HOTGVXAUSA-N 258.409 3.972 30 20 CHED C=C(C)COc1cc(F)c(Br)cc1C(C)=O 538939966 YSOQTGSHZPAKKU-UHFFFAOYSA-N 287.128 3.746 30 20 CHED N#CCc1cccc(C(=O)N2CCc3cccc(Cl)c32)c1 603811493 HTEZMZNNONVGHP-UHFFFAOYSA-N 296.757 3.609 30 20 CHED C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(C#N)cc1 532090290 WXAWDNPCFRAGRH-GFCCVEGCSA-N 298.336 3.956 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(C#N)ccc1NC1CC1 355628139 MLINWMPSMUDSIU-GXTWGEPZSA-N 297.402 3.897 30 20 CHED C=CCN1CCCN(c2ccc(Cl)c(Cl)c2)CC1 537288383 VXPFOOPFDIHLMM-UHFFFAOYSA-N 285.218 3.692 30 20 CHED C=C(CC)CS[C@H](C)C(=O)Nc1cc(F)ccc1F 536882217 UZHZWFSHKXSPFW-SNVBAGLBSA-N 285.359 3.991 30 20 CHED COC1CCC(C)(CN[C@H](C)c2cccc(C#N)c2)CC1 358995220 CNGBHCOCVNGIDS-RWBZWWBESA-N 286.419 3.804 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)N(CC)CCC#N)cc1 267416494 BIKFNYOUJPQUMP-ZDUSSCGKSA-N 289.379 3.631 30 20 CHED C=CCN(CC=C)C(=O)c1c(C)nc2ccccc2c1C 350766308 APJGSLCZQZRVGO-UHFFFAOYSA-N 280.371 3.666 30 20 CHED COc1cc(CN2C[C@@H](C)[C@@H]2c2ccccc2)ccc1C#N 442890081 MTWWKOUAYCUQJJ-AUUYWEPGSA-N 292.382 3.760 30 20 CHED Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 618741304 DKHDJIFNLGGGBT-GOSISDBHSA-N 262.356 3.644 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CC[C@@H](C)c1ccccc1 611002713 DQENHQZUXWYXBR-GDBMZVCRSA-N 272.392 3.625 30 20 CHED C=CCC(CC=C)c1nc(-c2n[nH]c3ccccc23)no1 356770863 VRMBDDVKQLHQHE-UHFFFAOYSA-N 280.331 3.849 30 20 CHED C=CC[C@@H]1N(Cc2ncnn2CC(C)C)CCCC1(C)C 444779232 BDTUZEYBPOXSCH-HNNXBMFYSA-N 290.455 3.501 30 20 CHED N#Cc1ccc(SCc2cccc3cccnc23)nc1 353704488 ARZQTASTHFGALA-UHFFFAOYSA-N 277.352 3.794 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](c2ccc(F)cc2)C1 614402922 ZAOJPDTWFPSZSM-GOSISDBHSA-N 294.373 3.995 30 20 CHED N#C[C@H]1CCC[C@H](NCCCCc2ccccc2)C1 618562204 ISDLKCSTIZUSLW-IRXDYDNUSA-N 256.393 3.681 30 20 CHED C=CCN(C(=O)c1cnn([C@@H](C)CC)c1C1CC1)C1CC1 357488482 BXZKAIVRHUZUER-LBPRGKRZSA-N 287.407 3.522 30 20 CHED C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(C#N)cc1 538507221 OMWBWTHHXUQQHG-CHWSQXEVSA-N 293.345 3.981 30 20 CHED CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2C)C1(C)C 614400806 GOOVXUCXZRZLCN-DLBZAZTESA-N 286.419 3.502 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C1CCCC1)C1CC1 453205039 CQJRIOAQRFAULU-ULQDDVLXSA-N 263.425 3.526 30 20 CHED CCOc1ccc(COc2cc(Cl)ccc2C#N)nc1 610769449 QDCREQOOBHISKU-UHFFFAOYSA-N 288.734 3.584 30 20 CHED C[C@@H](C#N)CNCc1ccc(N(C)c2ccccc2)cc1 612586583 RYQHUURZSNVZJX-HNNXBMFYSA-N 279.387 3.704 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 264569902 RDBMACQBUCSLLG-BVGQSLNGSA-N 292.382 3.561 30 20 CHED C#Cc1cccc(N(C)Cc2cc(-c3ccccc3)no2)c1 261397530 YMFXEJWRWAGLCS-UHFFFAOYSA-N 288.350 3.959 30 20 CHED C=CCC1(c2nc(C3(OC)CCCCC3)no2)CCC1 453240667 OJFHFIUVCRORES-UHFFFAOYSA-N 276.380 3.873 30 20 CHED C=CCCCCNC(=O)CSCc1ccc(F)cc1 613676210 XKALDTSRJWEQQW-UHFFFAOYSA-N 281.396 3.531 30 20 CHED Cc1ccc(CCCNCc2ccc(C#N)c(Cl)c2)cn1 619847215 AISAUXWJJCXGTI-UHFFFAOYSA-N 299.805 3.638 30 20 CHED C=CCC1(NC(=O)[C@@H](CC)SC)CCCCC1 456368063 ONCBBUPUDCSBLI-GFCCVEGCSA-N 255.427 3.523 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)C1CCCC1 618805560 IBYRGDVONIYIGZ-SJCJKPOMSA-N 254.377 3.714 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(C#N)cc1 360704907 LYSFYMPAFRCSRK-CZUORRHYSA-N 284.403 3.845 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc3c2ccn3C)C1 617784132 NVRCZCLMCXNZJH-CQSZACIVSA-N 282.387 3.607 30 20 CHED CSCc1cccc(N=c2ccc(Cl)c(C#N)[nH]2)c1 531385446 UVILKKYNVYOAME-UHFFFAOYSA-N 289.791 3.635 30 20 CHED CC[C@H](C)CCCCC(=O)N[C@](C)(C#N)C(C)C 612006031 CUIYQFOBZYBQIL-DZGCQCFKSA-N 252.402 3.647 30 20 CHED CSc1ccc2ncnc(N[C@H]3CC[C@@H](CC#N)C3)c2c1 450675262 UATLKCYPGSXYIQ-RYUDHWBXSA-N 298.415 3.846 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1cccc(CC#N)c1 455909955 CGIPCCQJBUSRGD-CYBMUJFWSA-N 273.380 3.653 30 20 CHED N#C[C@H](C(=O)c1ccc(Cl)o1)c1ccc2ccccc2n1 613290531 DYAFBEUYNKQMOE-NSHDSACASA-N 296.713 3.971 30 20 CHED N#Cc1ccn(CC2CCC(Cn3ccc(C#N)c3)CC2)c1 278208401 GONBDIKMXPVJHL-UHFFFAOYSA-N 292.386 3.540 30 20 CHED C=CCOCCCN(C)[C@@H]1CCCc2ccccc21 547766597 VQFRWNMMZXXXCZ-QGZVFWFLSA-N 259.393 3.589 30 20 CHED CC(C)Oc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 274217519 PDHFOMIBESTXQX-HOTGVXAUSA-N 272.392 3.646 30 20 CHED C=C(C)CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 274867679 WFYPNRQEZDVJHD-GFCCVEGCSA-N 287.329 3.505 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 459008642 LLEXTLBMNGDZNM-VGWMRTNUSA-N 291.439 3.679 30 20 CHED CC(C)c1ccc(C(=O)Nc2cc(CC#N)ccn2)s1 546872056 HNLPGMIWBNHDKY-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)no1 453071688 CZBVKGDESLLHKR-FUXBKTLASA-N 294.141 3.845 30 20 CHED C[C@@]1(NC(=O)Nc2ccc(C#N)cc2Cl)CC=CCC1 459472332 VYXRMBFFAQHWKX-OAHLLOKOSA-N 289.766 3.832 30 20 CHED C=CCC1(C(=O)N(C)[C@@H]2C[C@H](OCC)C23CCC3)CCC1 361933498 AXXGWEXLGCCJII-CABCVRRESA-N 291.435 3.539 30 20 CHED C[C@H](C#N)CN(C)C(=O)CCCc1ccc2ccccc2c1 271742357 RJIWMQMSSLVUGJ-OAHLLOKOSA-N 294.398 3.781 30 20 CHED C=CCC1(NC(=O)c2ccc(C#N)s2)CCCCC1 456370038 QUHOLDSWFVHTFR-UHFFFAOYSA-N 274.389 3.629 30 20 CHED CC(C)(C)CCCN1CCC(C#N)(c2ccccn2)CC1 367056626 AHIKPICBECHZFZ-UHFFFAOYSA-N 285.435 3.765 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc2[nH]ccc2c1 454654607 JDGUBCHXXWGJLU-UHFFFAOYSA-N 257.337 3.502 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(Cc3cccc(Cl)c3)CC2)C1 459648786 AOASLFBSHZGFMX-GDBMZVCRSA-N 288.822 3.945 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1c1ccnc(C#N)c1 450906700 DWEMDJPNVRJDKT-KRWDZBQOSA-N 281.334 3.742 30 20 CHED CC(C)(Cc1ccc(Cl)cc1)C(=O)NCCCCC#N 457532478 QLYCPPXFCAHPTC-UHFFFAOYSA-N 292.810 3.719 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)s1 271906778 CEGBHFAYBIEOND-LLVKDONJSA-N 274.364 3.918 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 369746162 TWTNENNUCFUCOD-HUUCEWRRSA-N 294.439 3.522 30 20 CHED N#CCSCCCN[C@H]1CCCCC12CCCC2 365845336 CFAFHOZKCXZPBX-AWEZNQCLSA-N 266.454 3.726 30 20 CHED C=C(CC)CNC(=O)c1c[nH]cc1-c1ccc(C)s1 456809590 BZTPXAYURFQJEK-UHFFFAOYSA-N 274.389 3.748 30 20 CHED C=C(C)CN(C)C(=O)NCCc1cc2ccccc2s1 455032558 KZQBGPDESYPBNF-UHFFFAOYSA-N 288.416 3.661 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(SC)cc1OC 455278159 VXRFJWMRCPTFKI-UHFFFAOYSA-N 294.420 3.751 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2CCCCS2)cc1 272944575 MVSROKULGUQJPE-OAHLLOKOSA-N 288.416 3.527 30 20 CHED C[C@H]1C[C@@H](/N=C/c2c(O)ccc3ccccc23)CCO1 271241366 YVJNRLBLOWKRQV-GXQGCUQHSA-N 269.344 3.532 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCC[C@@H](C)O)cc1 278830546 OVPRIXCMXSXATM-KGLIPLIRSA-N 297.826 3.630 30 20 CHED C=CCCCCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 274689147 UIKQJJCZUSVVEM-UHFFFAOYSA-N 297.402 3.589 30 20 CHED CC(C)CN(CC(C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 463410647 QFBOTHBDJJINLL-HNNXBMFYSA-N 286.419 3.802 30 20 CHED C=C(C)CNC(=O)CCc1nc2cc(Cl)ccc2s1 547657402 QDYZDQUBMAILLQ-UHFFFAOYSA-N 294.807 3.575 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCC[C@H]1c1ccccc1 273881782 LUJFEVXDHOGYFN-RDJZCZTQSA-N 287.403 3.721 30 20 CHED C=CCN(C(=O)[C@H]1CCc2ccccc2C1)C(C)(C)C 622945676 NKKRNODTPPMCRT-INIZCTEOSA-N 271.404 3.605 30 20 CHED C=CCn1c(SCCC#CC)nnc1-c1cccc(C)c1 462412069 XQJMMRQMYVWKSG-UHFFFAOYSA-N 297.427 3.945 30 20 CHED C=CC[C@H](CC)NC1CCC(c2nc(CC)no2)CC1 281610624 MWMCPDBYXTXXSA-MOKVOYLWSA-N 277.412 3.603 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCCc1cccc(C#N)c1 467449579 KCBZJNRZWQVCBC-HZPDHXFCSA-N 278.399 3.883 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(F)cc1N(C)C 467416721 IYRWGOLAKBRKPO-GXTWGEPZSA-N 264.388 3.897 30 20 CHED C=CCCC(=O)Nc1nnc(-c2cc(F)ccc2C)s1 469896628 JPROIGNACBKTAR-UHFFFAOYSA-N 291.351 3.557 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC(C)(F)CC2)c1 639587674 XYMFASQSSDXUSP-UHFFFAOYSA-N 292.354 3.607 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(=C)CC1 283185332 GNIBMHIWIXQDAE-AWEZNQCLSA-N 274.412 3.524 30 20 CHED C=CCOCCCC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 469753482 RRHKHVPBALXEFE-CVEARBPZSA-N 281.440 3.690 30 20 CHED CCSc1cccc(NC(=O)c2ncc(C#N)cc2C)c1 559829925 QGRQFKLSYYDXML-UHFFFAOYSA-N 297.383 3.626 30 20 CHED CCC(=O)c1c(Cl)cccc1N(C)CC(C)(C)C#N 634800740 SMRBZGUXZJCESL-UHFFFAOYSA-N 278.783 3.919 30 20 CHED CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)CC(C)(C)C#N 469260161 SCHDABSREUGYCY-INIZCTEOSA-N 290.382 3.921 30 20 CHED C[C@@H]1CCC[C@H](c2noc(Cc3c(F)cccc3C#N)n2)C1 558311367 RXGRAQNJKPASKC-NEPJUHHUSA-N 299.349 3.965 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cc(C)ccn1 285910428 DDXMUJRJXSTKLB-HNNXBMFYSA-N 282.387 3.806 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(NC(=O)CC)c2)n1 556360735 BLSDEHZTOWMBRV-UHFFFAOYSA-N 299.374 3.939 30 20 CHED C[C@H](OC(=O)CCCC#N)c1cccc(Br)c1 291802314 RIFYZLTZUJCHMM-JTQLQIEISA-N 296.164 3.747 30 20 CHED C#Cc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)cc1 809639594 OGQNQIFTQOFJQM-BEFAXECRSA-N 276.383 3.646 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@H](C#N)C1CCCCC1 476254935 TZDCLOIZCFMXII-FVQBIDKESA-N 276.424 3.791 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)c1cccc(CC#N)c1 558260965 YXCYIGHVQKINPY-UHFFFAOYSA-N 272.392 3.555 30 20 CHED CC[C@](C)(C#N)C(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 557019589 KJKUBMZHECIKHX-JJRVBVJISA-N 278.440 3.895 30 20 CHED C=C(C)CNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 553736510 NYLWBEKNPSWKMT-BRWVUGGUSA-N 284.403 3.540 30 20 CHED CC#CCN(C)C(=O)Nc1ccccc1CCC(F)(F)F 296733047 XENMVZIOPMNROB-UHFFFAOYSA-N 298.308 3.669 30 20 CHED CCC(=O)CCCN(CC)[C@H](C)c1ccc(C#N)cc1 290119931 UDYYJGGVNRMPCI-CQSZACIVSA-N 272.392 3.700 30 20 CHED COc1cc(N[C@H]2CCC[C@H](C#N)C2)cc(OC)c1C 293989706 BXCFLTCMIJTMMH-STQMWFEESA-N 274.364 3.507 30 20 CHED CC1(C)CC(NC(=O)Cc2ccc(C#N)cc2)CC(C)(C)C1 388792402 OLRNATIGJKTCSW-UHFFFAOYSA-N 298.430 3.822 30 20 CHED Cc1ccc(-c2cnc(NC(=O)C(C)(C)C#N)s2)c(C)c1 470350062 RKBWGRNDSAYLHJ-UHFFFAOYSA-N 299.399 3.915 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)N(CC)CC2 644626306 HMSGRWVDQAROKC-UHFFFAOYSA-N 272.392 3.610 30 20 CHED Cc1nc(S[C@@H](C)c2cccc(C#N)c2)[nH]c1C 292546811 BRCGRUYFMGIGTE-NSHDSACASA-N 257.362 3.752 30 20 CHED Cc1cc(N(C)[C@H](C)c2ccc(F)c(F)c2)cc(C#N)n1 561141686 HWXHARPNTTVYOD-LLVKDONJSA-N 287.313 3.737 30 20 CHED Cc1nn(C)c2sc(C(=O)/C=C/c3cccs3)cc12 806578946 PYEWFLWHOAYGIS-AATRIKPKSA-N 288.397 3.901 30 20 CHED CCCC[C@@H](CC)C(=O)N(CCC#N)Cc1ccco1 299268525 QMPFFKVJSMQTBI-CQSZACIVSA-N 276.380 3.738 30 20 CHED N#Cc1cnc(Nc2ccc(NC3CCCC3)nc2)c(F)c1 568602882 PDTQYISKYHUGRA-UHFFFAOYSA-N 297.337 3.585 30 20 CHED C#C[C@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)C(C)(C)C 807880070 CBLOSWCEPNFFDP-INIZCTEOSA-N 282.387 3.562 30 20 CHED CCCCCN(C(=O)NCC1(C#N)CC1)[C@H](C)CCC 569906879 QXZHRXONNOQMQS-CQSZACIVSA-N 279.428 3.681 30 20 CHED Clc1ccc(C2CC(=NN[C@H]3CCSC3)C2)cc1 808003348 MQBAQQRIMMXEEC-YUZLPWPTSA-N 280.824 3.669 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(C#N)cn1 565663801 BUQDKBPUJUSNCQ-SFHVURJKSA-N 295.386 3.545 30 20 CHED CC(C)(CNC(=O)CCc1ccc(C#N)cc1)C1=CCCC1 565465990 XALQXXCMUILKNQ-UHFFFAOYSA-N 296.414 3.744 30 20 CHED C=CCCCCCCNC(=O)c1ccccc1OC 805220595 XLNMFJAQEGWRAA-UHFFFAOYSA-N 261.365 3.562 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1c(Cl)cc(Cl)cc1Cl 297983683 WXBRMOSKCVOTRK-LURJTMIESA-N 291.565 3.631 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(N(C)C(C)C)c1 815544165 LYKGKJPNDDQUJK-UHFFFAOYSA-N 282.334 3.681 30 20 CHED CC[C@H](F)CNc1ccc(Oc2ccnc(C#N)c2)cc1 562232486 PUWXHCKYHABNHS-LBPRGKRZSA-N 285.322 3.906 30 20 CHED Clc1cnc(NN=C2CC[C@H]2C2CC2)c(Cl)c1 814740280 KKWBOEVODCMQET-VIFPVBQESA-N 270.163 3.976 30 20 CHED CC(C)CCN(C(=O)Nc1ccc(C#N)c(F)c1)C1CC1 562095230 XJUUFHDKLYGSHF-UHFFFAOYSA-N 289.354 3.740 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc(Cl)cc1 812443434 RRANOFLKQABFFF-UHFFFAOYSA-N 288.734 3.874 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 569199787 ASPXVYLYPDMYFZ-GOEBONIOSA-N 297.402 3.909 30 20 CHED C#CCCOc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1 811512924 ARGSTEXRYMRHRN-SFHVURJKSA-N 283.415 3.709 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](C)c1cc(C)sc1C 810089422 NUXFKYJSHRYDHA-CYBMUJFWSA-N 297.423 3.766 30 20 CHED C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C 810218722 KWYIDMJBBSPPIT-WBMJQRKESA-N 256.393 3.817 30 20 CHED C#C[C@H](NC(=O)c1ccc(C)s1)c1ccc(Cl)cc1 811944734 IMWLZABFMOEGSL-ZDUSSCGKSA-N 289.787 3.814 30 20 CHED C=CCN1CCC(N[C@@H](C)c2cc(C)c(F)c(C)c2)CC1 482632041 PEWVLVLYCZZCTH-HNNXBMFYSA-N 290.426 3.744 30 20 CHED C#C[C@@H](NCCCc1cnccc1C)c1ccc(Cl)cc1 811516586 QFWXCUISLGDUBU-GOSISDBHSA-N 298.817 3.940 30 20 CHED C#CCCCN[C@H](c1ccc(OC)cc1F)C(C)C 817579029 SGBILYCQCVXLHF-INIZCTEOSA-N 263.356 3.534 30 20 CHED CC(=NOCCC1CC1)c1ccc(O)c(Cl)c1 814245670 CFCGFNWUHTZUIC-UHFFFAOYSA-N 253.729 3.586 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@@](C)(C#N)C2CCCCC2)C1 571706258 YTIOMWASFBXILF-CPUCHLNUSA-N 276.424 3.791 30 20 CHED COc1ccc(NN=Cc2ncc(C(C)(C)C)s2)cc1 814885238 SOLCYJSMRJADAD-UHFFFAOYSA-N 289.404 3.895 30 20 CHED Cc1csc2c(N3CCC(CCC#N)CC3)ncnc12 572359454 JKZSWGKQZQPRRO-UHFFFAOYSA-N 286.404 3.520 30 20 CHED C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CC[C@H]1C 480874683 ZIVRRYAARWTKFL-VXGBXAGGSA-N 262.784 3.690 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc2cccc(F)c2o1 571942969 LKDBFNZNMMCZIV-DMDPSCGWSA-N 272.323 3.915 30 20 CHED FC(F)(F)CON=Cc1cscc1C(F)(F)F 811645305 HMICHOQLTRIBGB-UHFFFAOYSA-N 277.189 3.680 30 20 CHED COc1cccc(O)c1/C=N\CC1(c2ccccc2C)CC1 726429903 UBKNGCUTWDWYCE-NDENLUEZSA-N 295.382 3.860 30 20 CHED CN(C)c1ccc(/C=C2\COc3ccccc3C2=O)cc1F 727655241 UKHAAHWRRWADCP-UKTHLTGXSA-N 297.329 3.550 30 20 CHED C=CC[C@H](C(=O)NCc1ccccc1C)c1ccccc1 487624584 XRPZTOXVEYAQFI-SFHVURJKSA-N 279.383 3.971 30 20 CHED C=CCCCCOC(=O)c1cc2c(nc1O)CCCCC2 811011597 FHACJYDQHUZHBT-UHFFFAOYSA-N 289.375 3.569 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)C(C)C 821563293 MGYKARVONCYAPC-CYBMUJFWSA-N 298.308 3.571 30 20 CHED N#Cc1c(F)cccc1SCC1CCC(=O)CC1 570463766 FUYPQVNZALBEQK-UHFFFAOYSA-N 263.337 3.549 30 20 CHED Cc1cccc2c1C/C(=C\c1ccccc1[N+](=O)[O-])C2=O 729151536 TUKLUTCRKGHROF-UKTHLTGXSA-N 279.295 3.726 30 20 CHED C[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)C[C@H](c2ccccc2)C1 576220245 IEMGOAOBFLMZAF-ISARSNTHSA-N 295.430 3.992 30 20 CHED C[C@@H]1c2c(sc(NC(=O)C3CC3)c2C#N)CC[C@H]1C 575103737 QLAKIFFOSACXSB-BDAKNGLRSA-N 274.389 3.654 30 20 CHED C=CCCCNc1cccc(C(=O)OC)c1Br 492786969 CGTYRSXBXUTHKK-UHFFFAOYSA-N 298.180 3.614 30 20 CHED CCc1c(C)sc(NC(=O)C2CC(C)(C)C2)c1C#N 577437397 AABHHUDYTSWLJD-UHFFFAOYSA-N 276.405 3.865 30 20 CHED COc1ccsc1C(=O)/C=C\c1cnc2ccc(C)cn12 588489100 VAERLQIBUCHQOV-PLNGDYQASA-N 298.367 3.609 30 20 CHED CC[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)C(C)(C)C 493931608 IMXQXWVGJGBYEN-OAHLLOKOSA-N 299.418 3.671 30 20 CHED C#C[C@@H](NC1CCC(OC2CCCC2)CC1)C(C)(C)C 824403652 XYMICULANOGDIV-BDVYOWHSSA-N 277.452 3.894 30 20 CHED CCC/C(C)=C\C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 735793755 YCNXNLWBWKNEEN-FUWURINLSA-N 281.359 3.794 30 20 CHED C#CCCCCNCc1cnc(CCc2ccccc2)s1 823989630 ALGJLNUZMRWNDH-UHFFFAOYSA-N 298.455 3.821 30 20 CHED N#Cc1ccnc(N2CCC[C@H](c3ccc(F)cc3)CC2)c1 584044504 DBMPYFCLAGQGSK-HNNXBMFYSA-N 295.361 3.866 30 20 CHED CCc1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)s1 731159968 ZFDHGFKZRWHTQJ-AATRIKPKSA-N 292.381 3.966 30 20 CHED C=CC[C@@H](NC(=O)N[C@H](C)c1ccccc1)c1ccncc1 734652570 MZCZHUTZJLKCTA-RHSMWYFYSA-N 295.386 3.759 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cccc(C(F)(F)F)c1O 903102204 UJNXMBGIUVPVIN-SECBINFHSA-N 286.297 3.611 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccccc1COC(C)(C)C 491525421 SHCNAQNKERPZOK-HNNXBMFYSA-N 287.403 3.533 30 20 CHED CCc1ccc2ccccc2c1CNC[C@H](C#N)CCC#N 901581527 HKEYBCTUUBWEOC-HNNXBMFYSA-N 291.398 3.935 30 20 CHED N#CCCCCCC(=O)NCCC1=CCCCCC1 588164333 BXCZLRCFESIRAE-UHFFFAOYSA-N 262.397 3.857 30 20 CHED C[C@@H](C(=O)OCc1cccc(C#N)c1)c1ccccc1F 731395226 RVSSGRDZPMHBPV-GFCCVEGCSA-N 283.302 3.544 30 20 CHED CCCCO[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839436416 XPUXMMABZWKUGU-ZDUSSCGKSA-N 296.370 3.855 30 20 CHED Cc1nc(C#N)c(NN=C2CC[C@@H](CCC(C)C)C2)o1 834942220 OATJXJOELGPYBZ-GFCCVEGCSA-N 274.368 3.859 30 20 CHED C[C@@]1(CC(=O)OCc2cccc(C#N)c2)CC1(Cl)Cl 835146562 HULCUOCBWCEINF-CYBMUJFWSA-N 298.169 3.575 30 20 CHED CCc1nocc1/C=C/C(=O)c1ccc(C)c(C)c1 834398169 BQCORUGBIQJPQL-BQYQJAHWSA-N 255.317 3.750 30 20 CHED CC(C)(C)C#CC(=O)OCc1ccc(C(F)F)cc1 838373114 VZFWSFUUPRFQEN-UHFFFAOYSA-N 266.287 3.717 30 20 CHED CC[C@H](NCc1cc(F)cc(OC)c1)c1cccc(C#N)c1 902892372 JQTHFAXIBONMFG-SFHVURJKSA-N 298.361 3.947 30 20 CHED N#CCC[C@H](C#N)CNc1ccc(-c2ccccn2)cc1 580021006 JDNQIYNAIPYNRD-CQSZACIVSA-N 276.343 3.604 30 20 CHED O=C(/C=C/c1ccc(C(=O)O)[nH]1)c1ccc2ccccc2c1 833094672 JWZBEHMKBVDJCR-CSKARUKUSA-N 291.306 3.762 30 20 CHED Clc1cccnc1NN=Cc1ccnc2ccccc12 731313669 DUOPXNLOVNEFJW-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CCOc1ccc(C=NNc2ccccc2)cc1OC 916246097 ZOEYNYDRXRJXRO-UHFFFAOYSA-N 270.332 3.540 30 20 CHED C=CCN(C(=O)NC[C@H](CC)c1ccccc1)C(C)C 918059456 XUFRPLLKJFDWHB-HNNXBMFYSA-N 274.408 3.786 30 20 CHED CC[C@@H](C)CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 597978229 NVQJOTSPGOQPJV-GFCCVEGCSA-N 290.382 3.527 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccc(C2CCC2)cc1 834438470 SBNODRZRMPUXEM-JXMROGBWSA-N 266.344 3.584 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C1CCCCC1 744810455 PPDAQQHFAVFGKU-ZMSDIMECSA-N 290.451 3.789 30 20 CHED Cc1ccc(C#N)c(NCCC[C@@H]2CC2(Cl)Cl)n1 845744770 MHVXGPIPJGJBQO-LLVKDONJSA-N 284.190 3.648 30 20 CHED CC(C)CON=CC(C)(C)CN(C)Cc1ccccc1 749632416 XODDXHGZPBOJKO-UHFFFAOYSA-N 276.424 3.803 30 20 CHED COc1ccc(SCC(=O)[C@H](C#N)c2ccccc2)cc1 917137138 SQCGDORMWBLFLV-MRXNPFEDSA-N 297.379 3.664 30 20 CHED CCCCCCCC(=O)Oc1cccc(C(=O)NCC)c1 749517453 JPVLRHMAULDDRP-UHFFFAOYSA-N 291.391 3.702 30 20 CHED C=C(CNC(=O)c1ccc(CC)cc1)c1ccccc1 672482615 CIVGAQCDZKPZKG-UHFFFAOYSA-N 265.356 3.692 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(-c2ccco2)s1 679204790 ZDAMLAULZZIZPQ-UHFFFAOYSA-N 261.346 3.656 30 20 CHED C=CCc1cc(OCC)cc(CN2CCCCC2)c1O 919936059 PFPMITPXKUDBPV-UHFFFAOYSA-N 275.392 3.505 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)c1 915992840 CLDOEXJTVFYPFG-UITAMQMPSA-N 291.350 3.776 30 20 CHED Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1F 597130622 UUOWRQBQLBAFEC-UHFFFAOYSA-N 274.339 3.937 30 20 CHED CC(C)[C@H](CC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597914665 WXKVNFNTPYCBBW-WMZOPIPTSA-N 298.430 3.969 30 20 CHED C=C[C@H](C)ONC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 846546011 RLQPBDGZGLXKEZ-ZLIFDBKOSA-N 281.355 3.566 30 20 CHED CCC1(CC)CCCN(C(=O)NCC(C)(C)CC#N)C1 595649345 MHBRROPYMNEEFX-UHFFFAOYSA-N 279.428 3.538 30 20 CHED C/C(=C/C(=O)N(C)c1ccc(C#N)cc1)c1ccc(F)cc1 749149946 IGYZGNDQTHWANN-QBFSEMIESA-N 294.329 3.764 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCSc2ccccc21)C(C)(C)C#N 842325880 WHXUTHLTGTVRGC-DGCLKSJQSA-N 289.400 3.747 30 20 CHED CCOc1ccc(/C=N/Cc2cc3ccccc3[nH]2)c(O)c1 746680942 BIXSLAYEBCPXFO-YBFXNURJSA-N 294.354 3.891 30 20 CHED CC1(C)C[C@@H](O)c2cc(-c3ccc(C#N)cc3)ccc2O1 846780107 ALCRQCBBLDWPCT-MRXNPFEDSA-N 279.339 3.820 30 20 CHED N#Cc1cc(F)ccc1-c1ccc(OC[C@@H]2CCCO2)cc1 596635983 LNVYAYZXVOUHBY-KRWDZBQOSA-N 297.329 3.922 30 20 CHED CCCCCCCC(=O)OCC(=O)c1cc(C)[nH]c1C 919222076 DZTPKFBEQATBGS-UHFFFAOYSA-N 279.380 3.718 30 20 CHED CC(C)(C)[C@H]1CN(c2cc(C#N)cnn2)c2ccccc21 596213315 ZVIYEBAMUWEXDL-AWEZNQCLSA-N 278.359 3.630 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 596927763 IAOZVNXFGKVLER-AWEZNQCLSA-N 283.375 3.687 30 20 CHED C=CCN(C(=O)NCC(C)(C)c1cccc(C)c1)C(C)C 745294369 ICRZYNYEFHISRK-UHFFFAOYSA-N 288.435 3.879 30 20 CHED C=CCc1ccccc1OCc1noc(CCCC)n1 596588736 MYIFAGNCQXBKDP-UHFFFAOYSA-N 272.348 3.720 30 20 CHED CCCC(C)=NNC(=S)Nc1cc(C)ccc1C 915911838 HDCDFGCOIADGQC-UHFFFAOYSA-N 263.410 3.766 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1nc(C)sc1C 916249308 AVBOWEMHMUHEKQ-UHFFFAOYSA-N 290.348 3.504 30 20 CHED CCN(CCc1ccccc1)C(=O)CC1(C#N)CCCCC1 596767151 OIAGABDWMNRCII-UHFFFAOYSA-N 298.430 3.942 30 20 CHED C=C[C@](C)(CC)C(=O)NCCC[C@@H]1CC1(Cl)Cl 844960453 IZMHAIVPTJEJPI-ZYHUDNBSSA-N 278.223 3.679 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1cccc(C)c1)Cc1ccco1 593400715 URJJSPKQKZWAKA-INIZCTEOSA-N 296.370 3.667 30 20 CHED CC[C@@H]1CCC1=NNc1cc(CO)ccc1Br 841653380 HEUMHBJRICJMLY-SNVBAGLBSA-N 297.196 3.529 30 20 CHED C[C@H]1CCN(C(=O)CC2(C#N)CCCCC2)C[C@H](C)C1 597432745 NPTRYIIBXOXTMT-LSDHHAIUSA-N 276.424 3.745 30 20 CHED CC(C)[C@@H]1N(C[C@H](O)CC(C)(C)C#N)CC12CCCCC2 598706691 UDPXZUZEIMBRPQ-CVEARBPZSA-N 292.467 3.578 30 20 CHED C=C(C)CN(CC)C(=O)CSc1nc(C(C)C)cs1 845328484 RXBPCQZPZYBGJV-UHFFFAOYSA-N 298.477 3.783 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC[C@H](CC#N)C1 595533972 DHGHYCGUSKETON-RBSFLKMASA-N 291.439 3.536 30 20 CHED C=C(Cl)COC(=O)c1cc2cc(C)c(C)cc2o1 745582329 BLRNGPVKBNELBI-UHFFFAOYSA-N 264.708 3.959 30 20 CHED Cc1ccc(-c2cc(C(=O)OCC3(CC#N)CC3)on2)cc1 744275457 HQORSWKCKALBAI-UHFFFAOYSA-N 296.326 3.501 30 20 CHED C=CCCCCCCCNC(=N)N1CCCCC1 849084217 DHLNGGRAGGFRSK-UHFFFAOYSA-N 251.418 3.523 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1oc(C)nc1C 853690768 KPGXQACOCJFECF-UHFFFAOYSA-N 287.359 3.916 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CCc2cc(C)ccc21 920178467 RHEZHLNFUIQFAX-VXIUPONVSA-N 281.355 3.816 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(-n2ccnc2)c(F)c1 926060926 QBWULECUGPXZML-GFCCVEGCSA-N 286.354 3.752 30 20 CHED C#CCCCC(=O)O[C@@H](c1ccc(OC)cc1C)C1CC1 758917849 MJMDWTYJDOMRNA-GOSISDBHSA-N 286.371 3.801 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cc2ccc(F)cc2s1 751161681 SQKAYGFBMFYDOC-NSHDSACASA-N 277.320 3.745 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ncc(Cl)cc1Cl 751521138 JJRNHKPPQBABCU-SECBINFHSA-N 288.178 3.603 30 20 CHED C=CCOc1ccc(C(=O)N(C)c2ccc(C)cc2)cc1 751216289 FLIXREZVMFTNEA-UHFFFAOYSA-N 281.355 3.836 30 20 CHED Cc1cc(F)ccc1NN=C1[C@H]2CCCO[C@H]2C1(C)C 750939155 WDDPIFPBNKLYGV-IUODEOHRSA-N 276.355 3.737 30 20 CHED C#CCCCC(=O)N(CC)[C@@H](CC)Cc1ccc(C)cc1 758483081 LETBWJJHPVTXRL-SFHVURJKSA-N 285.431 3.968 30 20 CHED CC(=NOCC(F)F)c1ccc(Br)c(F)c1 758899004 BWNJVVKQDIPARN-UHFFFAOYSA-N 296.086 3.594 30 20 CHED C#CCCCC(=O)N(CC)[C@H](CC)Cc1ccc(C)cc1 758483079 LETBWJJHPVTXRL-GOSISDBHSA-N 285.431 3.968 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](C)c1cccc(Cl)c1Cl 753148041 FHRLXLZZIXWJIH-ZJUUUORDSA-N 299.201 3.765 30 20 CHED C#CC[C@H](OC(=O)C1CCC2(CC1)CC2)c1ccccn1 850819998 XLPAOTMMDQCYPC-INIZCTEOSA-N 283.371 3.660 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)c1nnc(C)s1 759188403 BQFXXBFTEBZSSV-NSHDSACASA-N 283.441 3.774 30 20 CHED C=C[C@H](CC)CC(=O)NCc1nc(C(C)(C)C)cs1 932049512 SFZZVSCMKTXIOP-LLVKDONJSA-N 280.437 3.659 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Oc1ccc(C#N)cc1 753994152 FWELYCCQNLYUPG-GFCCVEGCSA-N 259.349 3.926 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)c1ccccc1 764232730 JSZGSXQCXOZXKD-DLBZAZTESA-N 271.404 3.940 30 20 CHED C#C[C@H](CC)OC(=O)c1cccc(-c2nc(C)cs2)c1 768043113 FEYPCABZCFRRSJ-CQSZACIVSA-N 285.368 3.687 30 20 CHED C#CCCc1noc(-c2oc3c(C)cccc3c2C)n1 762010721 PKGIQWQAIFODSP-UHFFFAOYSA-N 266.300 3.665 30 20 CHED N#CC1(COC(=O)c2cc(Cl)cc(Cl)c2F)CC1 869699456 ZTKMBQPSYHWHKE-UHFFFAOYSA-N 288.105 3.593 30 20 CHED Cc1cccc(F)c1NN=Cc1csc(C2CC2)n1 769827547 CUKPLLSOHWYETB-UHFFFAOYSA-N 275.352 3.914 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(F)c(F)c1 766772410 RZHIQNLEMXTWGC-GQCTYLIASA-N 273.282 3.818 30 20 CHED Cc1noc(C)c1[C@@H](C)C(=O)OCCCCC(C)(C)C#N 768671460 PYZDBLMIPCWTJL-LLVKDONJSA-N 292.379 3.658 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCc1cccc2ccccc12 864904588 JGIFWWBBXBAGSB-HNNXBMFYSA-N 294.398 3.781 30 20 CHED CN(C)c1ccc(C(=O)OCCCCC(C)(C)C#N)cc1 768371466 HGMIIPCZUPJCBH-UHFFFAOYSA-N 288.391 3.629 30 20 CHED CC#CCCCC(=O)OCc1ncc(C(C)C)s1 768013893 SQKYHOSZYIJLRX-UHFFFAOYSA-N 265.378 3.503 30 20 CHED Cc1oc2ccccc2c1CC(=O)Oc1ccc(C#N)cc1 767050002 WJRSADDXHJSNGN-UHFFFAOYSA-N 291.306 3.761 30 20 CHED C[C@@H](O)c1ccc(-c2ccccc2C2(C#N)CC2)cc1 864551291 YGLBJDVILHNFEE-CYBMUJFWSA-N 263.340 3.962 30 20 CHED C#CCCCN(Cc1cccc(OC)c1)CC(C)C 766895551 LUOMRYFLLRBIEF-UHFFFAOYSA-N 259.393 3.567 30 20 CHED C#CCCc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 762015723 CFNAIIOMOGYCJS-BFHYXJOUSA-N 258.365 3.709 30 20 CHED COc1cc(F)cc(NN=C(C)CCC2CC2)c1 768777363 XVYZHWLYSZQCRM-UHFFFAOYSA-N 250.317 3.812 30 20 CHED C#CCCCC(C)=NNc1ccc(Cl)c(C(=O)O)c1 863065239 KCQQCJKVFFQVGE-UHFFFAOYSA-N 278.739 3.630 30 20 CHED Cc1ccn2cc(C(=O)OCCCCC(C)(C)C#N)nc2c1 768525969 VIBDKASOSVVZLB-UHFFFAOYSA-N 299.374 3.520 30 20 CHED C#CCCOc1ccc(CNc2ccccc2F)cc1 763483836 XAIOQOCDJJUXCS-UHFFFAOYSA-N 269.319 3.840 30 20 CHED CCSCCS[C@H](C#N)CCc1ccccc1 865363939 FHHMDOBEBJVWQF-AWEZNQCLSA-N 265.447 3.998 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2cscc2Cl)c1 768381611 JRPHCVMAWDFASU-UHFFFAOYSA-N 297.170 3.768 30 20 CHED CCCCCCCOC(=O)CCc1nc(C)cs1 769499477 IPXKRJASESCVTI-UHFFFAOYSA-N 269.410 3.898 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cccc(F)c1F)C(C)C 766848013 MMGCFXNXASHRGR-NSHDSACASA-N 282.334 3.632 30 20 CHED FC(F)(F)c1ccc(C=NNc2ccccn2)s1 761748677 JEBBNZLTAIOFEG-UHFFFAOYSA-N 271.267 3.608 30 20 CHED C[C@H](OC(=O)C#Cc1ccccc1)c1ccc(F)c(F)c1 764344797 IGQDTKLBMFBACN-LBPRGKRZSA-N 286.277 3.621 30 20 CHED C=CCN(Cc1c[nH]nc1-c1c(F)cccc1F)C(C)C 768548239 YQBGHJQJRUCSGH-UHFFFAOYSA-N 291.345 3.751 30 20 CHED CC(C)(C)C1CCC(=CC(=O)N(CC#N)C2CC2)CC1 765072187 BOTDDCUZNNHACQ-UHFFFAOYSA-N 274.408 3.664 30 20 CHED Cc1cc(C=Nn2cnc3ccccc32)c(C)s1 760238895 FFAVCXDYNRHGBW-UHFFFAOYSA-N 255.346 3.597 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H](F)c1ccccc1 768992408 HMVZLXHDEBUEIR-KRWDZBQOSA-N 299.345 3.578 30 20 CHED CC(=O)[C@@](C#N)(CCN(C(C)C)C1CCC1)c1ccccc1 878255166 NLLLLIRFNXOXNI-IBGZPJMESA-N 298.430 3.690 30 20 CHED CCC[C@@H](C)c1noc(-c2cccc(C#N)c2C)n1 1117590087 MNCZCPNHJHSXBT-SNVBAGLBSA-N 255.321 3.820 30 20 CHED C[C@H](CC(=O)OCC1(C#N)CC1)Cc1ccc(Cl)cc1 775881988 RTLQNFFEZZOHNY-LBPRGKRZSA-N 291.778 3.756 30 20 CHED Cc1ccc(NN=Cc2ccc(OCC#N)cc2)cc1Cl 1115815449 SRDKOIFFCNGLMS-UHFFFAOYSA-N 299.761 3.997 30 20 CHED CCC(CC)CNN=C(C)c1c(Cl)nc2ccccn12 774459055 APSOEVHUZLSNMC-UHFFFAOYSA-N 292.814 3.738 30 20 CHED CC(=NNc1nc2ccccc2s1)[C@@H]1CCCOC1 779755218 XPRLGITXDROQOD-LLVKDONJSA-N 275.377 3.511 30 20 CHED C#Cc1ccc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)cc1 877847619 AZKKGMVAWLOUJG-MRXNPFEDSA-N 296.757 3.518 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1csc(C#N)c1 1118004771 WUUFCESIBRYJLZ-QWHCGFSZSA-N 276.405 3.564 30 20 CHED Cc1ccc(NN=C2CC=C(c3ccc(F)cc3)CC2)nn1 776767825 AHIMEJANWFTDHJ-UHFFFAOYSA-N 296.349 3.960 30 20 CHED C#CCN[C@@H](C)c1ccc(OCCCCC)c(OC)c1 775112351 KDROFPYEJZFQQU-AWEZNQCLSA-N 275.392 3.548 30 20 CHED CCCC1(C(=O)OCc2cc(C#N)ccc2OC)CCC1 772280903 TUGQKSWYQOPTNM-UHFFFAOYSA-N 287.359 3.580 30 20 CHED C=CC(C)(C)CC(=O)NCCCCN(C)c1ccccc1 878378588 BTJDUXFMJLFOIY-UHFFFAOYSA-N 288.435 3.622 30 20 CHED C=CCN(C(=O)Nc1ccnn1[C@H](C)CC(C)C)C(C)C 775764727 FSNXSINEMOGWFF-CQSZACIVSA-N 292.427 3.919 30 20 CHED C#CCCCCC(=O)N[C@]1(C)CCCc2ccccc21 773315302 HULXNZATJAPBRG-GOSISDBHSA-N 269.388 3.548 30 20 CHED C=C(Cl)CN1CCn2c(cc3c(Cl)cccc32)C1 773926329 SBLNILZIEGEARC-UHFFFAOYSA-N 281.186 3.863 30 20 CHED C[C@@H](Cc1ccco1)N[C@H](C)c1ccc(C#N)c(F)c1 776727122 AZQSAUXHFRQJGW-NWDGAFQWSA-N 272.323 3.572 30 20 CHED COc1ccc(NC2CCC(C)(C#N)CC2)c(F)c1 877666261 CKQLOHLHKAZHJQ-UHFFFAOYSA-N 262.328 3.719 30 20 CHED Cc1ccccc1Sc1ccc(C(=O)OCC#N)cc1 773200237 PBHQRGMTMRAPMY-UHFFFAOYSA-N 283.352 3.827 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)OCCC(C)(C)C#N 776385164 NPQNDXZQCMKNMS-OAHLLOKOSA-N 273.376 3.738 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@H]1C1CCCCC1 779920447 JIIZETIDYWMWAS-HOTGVXAUSA-N 261.409 3.655 30 20 CHED CC(C)c1nccnc1NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 773094904 SOXFOWYFPROKLX-SYQHCUMBSA-N 284.407 3.824 30 20 CHED C=CCOc1cccnc1C(=O)Oc1ccccc1Cl 775233662 LZPBXLWMVJRIHQ-UHFFFAOYSA-N 289.718 3.519 30 20 CHED Cc1ccnc(Cl)c1OCc1cccc(C#N)c1F 779816818 AEZYHBLTOIJGJW-UHFFFAOYSA-N 276.698 3.633 30 20 CHED FC(F)(F)CCON=C[C@@H]1CCc2ccccc21 777460153 VKGWMOXSDYBDMY-NSHDSACASA-N 257.255 3.671 30 20 CHED CCCCCCCNCc1cnc2ccc(C)cn12 771944136 ZWYDEUBRNATXCR-UHFFFAOYSA-N 259.397 3.703 30 20 CHED FC(F)Oc1cccc(C=NOC2CCCC2)c1 774596727 KZSIPHHCDJZCCN-UHFFFAOYSA-N 255.264 3.581 30 20 CHED CC(C)=CCOc1cccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c1 1122717902 PFAXQNHSEDDWRJ-YOEHRIQHSA-N 299.370 3.881 30 20 CHED CCSc1ccc(CNC(=O)CCCCCC#N)cc1 881488039 OAJZBGPYOLLQCZ-UHFFFAOYSA-N 290.432 3.889 30 20 CHED CC1(C)C[C@H](NN=C2CC(C)(C)c3ccccc32)CCO1 780248272 ZJISJZXUJQRNSN-CYBMUJFWSA-N 286.419 3.619 30 20 CHED C#CCC1(C(=O)N(CC)CCC2CC2)CCCCC1 788459788 NHOQGWQYFSGNJW-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CC/C(C)=C(\C)C(=O)N(CCC#N)CC(CC)CC 780933116 ZLDRRKRFAOMMSL-BUHFOSPRSA-N 264.413 3.911 30 20 CHED CSC1(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CCC1 786280025 YEZXLSMDKLYBOS-CYBMUJFWSA-N 296.395 3.697 30 20 CHED CC(C)(C#N)CC(=O)OCCc1c(F)cccc1Cl 785096208 OXFWFCRMVOQYMQ-UHFFFAOYSA-N 283.730 3.505 30 20 CHED CSc1ccccc1COC(=O)c1ccc(C#N)cc1 781218568 SOMBJTIFGJXLOT-UHFFFAOYSA-N 283.352 3.637 30 20 CHED C#CCCCCNCc1ccc(C(F)(F)F)cc1C 785539937 DRVXHSSOMJCPDV-UHFFFAOYSA-N 269.310 3.907 30 20 CHED CC(CCc1cccc(C)c1)=NN[C@H]1CCOC(C)(C)C1 780250187 HJZCJCMQVQDOHO-KRWDZBQOSA-N 288.435 3.851 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc(CCCCF)no1 897202219 SRXNYPWBPRQSTP-LBPRGKRZSA-N 287.338 3.580 30 20 CHED COc1cccc(/C=C2/CCOc3cc(F)ccc3C2=O)c1 781554877 AISFYEKRAWALAR-LCYFTJDESA-N 298.313 3.883 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2cccc(OC)c2)CCCCC1 788173925 XZNODAPYHJKDIH-OAHLLOKOSA-N 299.414 3.846 30 20 CHED O=C(O)c1ccccc1NN=Cc1sccc1Cl 782177976 XQYQKCFQDAQQPK-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1ccnc(F)c1 794914622 JWIQFOUWTTYXCO-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CC[C@H](C)NN=Cc1csc(-c2cccc(OC)c2)n1 790189854 RDJMIGPUWLVBEQ-NSHDSACASA-N 289.404 3.541 30 20 CHED Cc1ccc(Cl)cc1CNCc1ccc(C#N)c(F)c1 1207728757 KMGZYPYPDXBJCA-UHFFFAOYSA-N 288.753 3.949 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC1CC1 409446039 WQBAPIRTQJAUBG-IAGOWNOFSA-N 254.377 3.558 30 20 CHED CC(C)n1nccc1C=NNc1nccc2sccc12 794497388 QOJIAUBAFRAOBQ-UHFFFAOYSA-N 285.376 3.520 30 20 CHED C#C[C@@H](NCc1ccc(CSC(F)F)o1)C(C)(C)C 702293014 GSTDSJOLXIXOCY-GFCCVEGCSA-N 287.375 3.873 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC(C(F)F)CC1 799465010 WAPILDIWESVJDD-UHFFFAOYSA-N 283.278 3.818 30 20 CHED Clc1cccc(NN=C[C@H]2CCOc3ccccc32)n1 793175264 SRSTWVBLQVSUFU-LLVKDONJSA-N 287.750 3.699 30 20 CHED CC(=NNc1cccc(F)n1)c1cc(C)c(F)c(C)c1 795006612 DSVFZGWMGNFTCH-UHFFFAOYSA-N 275.302 3.813 30 20 CHED CCCCCC1=CCCC1=NNc1ncncc1F 793215001 VGYVHJKLUSEVPS-UHFFFAOYSA-N 262.332 3.684 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1sccc1C 772986287 CHMVXDWSHNLTAO-CQSZACIVSA-N 285.412 3.919 30 20 CHED C[C@H](CCC#N)N(C)CCOc1ccccc1C(C)(C)C 1307728151 IGEHHSXWSNDDNN-OAHLLOKOSA-N 288.435 3.987 30 20 CHED CN(C(=O)c1csc(C#N)c1)C1CCC(C)(C)CC1 1324476729 VEAMNXGQNTXSPP-UHFFFAOYSA-N 276.405 3.661 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)CC#Cc1ccccc1 1325609957 CNVMQNKPGFPNSK-DLBZAZTESA-N 283.415 3.759 30 20 CHED C=CC1CCN(C(=O)c2ccc(CC)c(CC)c2)CC1 1320052512 NDMZJENUCKOSBU-UHFFFAOYSA-N 271.404 3.850 30 20 CHED COc1ccc(NC(=O)CC#Cc2ccccc2)cc1Cl 1322547178 TYZIVCAEAWLQGD-UHFFFAOYSA-N 299.757 3.729 30 20 CHED CC[C@@H](CNC(=O)CC#Cc1ccccc1)CC(F)(F)F 1325269673 ZSXSXBMABLVHLG-CYBMUJFWSA-N 297.320 3.523 30 20 CHED N#Cc1ccc(-c2nnc(CCCc3ccccc3)o2)s1 1257799279 MKYUPZJDIWSLQT-UHFFFAOYSA-N 295.367 3.845 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCOc3ccc(F)cc32)n1 1336890038 WVEMMSFEBDRWQR-OAHLLOKOSA-N 297.333 3.645 30 20 CHED C=C(C)CCC(=O)Nc1ccc(F)cc1Br 1336788126 QHONNGQFQBDFNV-UHFFFAOYSA-N 286.144 3.883 30 20 CHED C=C(C)CCC(=O)NCC[C@@H]1CCc2ccccc21 1335937531 XPEKAPLIVPCGKP-HNNXBMFYSA-N 257.377 3.579 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)cc2O)ccc1F 1341109969 DJCNKCRJVWKZNL-YVMONPNESA-N 286.302 3.744 30 20 CHED Cc1ccc(CSCCNc2cccc(CC#N)n2)cc1 1342842975 NLIUCCWGBSKWKA-UHFFFAOYSA-N 297.427 3.801 30 20 CHED CC(C)(C(=O)O[C@H](CC#N)c1ccco1)C1CCC1 1345982851 XSFJWJYCDCYYMY-CYBMUJFWSA-N 261.321 3.604 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1scc(C)c1C#N 1346489900 QHKCATCBHPWBTN-GFCCVEGCSA-N 289.404 3.891 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)o1 1346661934 FPPCMTDWWZFHOP-LLVKDONJSA-N 269.348 3.585 30 20 CHED C[C@H]1Cc2cc(/C=C3/CCc4ncccc4C3=O)ccc2O1 1343414363 FAFJIDQNXHAOIP-GVIGZQTCSA-N 291.350 3.618 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)OCc1cc(C#N)ccc1F 1355240782 GTZOPEGFKXRTPD-UKRRQHHQSA-N 289.350 3.957 30 20 CHED Cc1ccc(N(C)C(=O)c2cc(C#N)ccc2C)c(C)c1 1527638183 UIZNJKZQFIAJQK-UHFFFAOYSA-N 278.355 3.760 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(C#N)ccc1F 1529897568 VXMBZKJYECKRIK-BBRMVZONSA-N 288.366 3.786 30 20 CHED CCc1c(C(=O)Nc2ccc(C#N)cn2)oc2ccccc12 1529959965 IYLBAWYEDAHCNF-UHFFFAOYSA-N 291.310 3.514 30 20 CHED C[C@H](OC(=O)C1C(C)(C)C1(C)C)c1cccc(C#N)c1 1525564479 CTYNTQWPWKYMHX-NSHDSACASA-N 271.360 3.845 30 20 CHED CCCCCCCCCN(C)C(=O)C1(C(=O)O)CC=CC1 1603640371 FFFDIKMTRXXCLU-UHFFFAOYSA-N 295.423 3.616 30 20 CHED CCC(CC)CNN=C1CCC[C@H](CCCC(=O)O)C1 1609917271 XCHNDEPNBUFSIQ-CQSZACIVSA-N 282.428 3.813 30 20 CHED C[C@@H](NC(=O)NC[C@@H]1CCCC1(C)C)c1cccc(C#N)c1 1470277011 MJEGRDCQKAGJOD-CJNGLKHVSA-N 299.418 3.745 30 20 CHED CC(C)(C)c1cnc(Sc2ccc(Cl)c(C#N)n2)[nH]1 1472848768 WFPBQQBOPGPSDO-UHFFFAOYSA-N 292.795 3.778 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(F)cc1C#N 1623180087 GPYOFOHSVHOQHD-NEPJUHHUSA-N 289.354 3.645 30 20 CHED Cc1cnc(OC(C)C)c(N[C@H]2CCC[C@H](C#N)C2)c1 1560848497 JKHLXXXPZLCFMR-KBPBESRZSA-N 273.380 3.672 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H]2CCCC[C@@H]2C)c1C#N 1642044745 HKRHGRSIKDNAQR-IINYFYTJSA-N 277.799 3.930 30 20 CHED CCc1cccc(CN2CCCC(C)(C)[C@H]2C#N)c1 1658543644 OAKOANOCYMMNIS-MRXNPFEDSA-N 256.393 3.763 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@H](CC(C)C)OC 1653156677 PGQMABMMARHOSO-SFHVURJKSA-N 288.435 3.831 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 1586124564 LFITXVGYDKJDGN-SDDRHHMPSA-N 290.329 3.506 30 20 CHED CC(C)(CC#N)CSCc1ccccc1C(=O)O 1590617085 ZAOAIMNFFAAMAX-UHFFFAOYSA-N 263.362 3.558 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(F)cc2C#N)C1 1667625182 UTXOZLFYVYNTHD-RYUDHWBXSA-N 289.354 3.645 30 20 CHED C[C@H](COCC1CCCCC1)N[C@H]1CCC[C@H](C#N)C1 1665711518 AICCHAHCNOXWGV-PVAVHDDUSA-N 278.440 3.644 30 20 CHED CC[C@@H]1CCCCCN1C(=O)Nc1cc(F)cc(C#N)c1 1672407242 VHBGZJGIDGOUPQ-OAHLLOKOSA-N 289.354 3.884 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(C(=O)O)c(F)c1 1777477271 UDJGDZJIBOFWQD-HWKANZROSA-N 290.315 3.790 30 20 CHED Cc1c(NN=C2CC[C@@H](C)C[C@H]2C)cccc1C(=O)O 1776087480 FNJCMINSQOMCJK-GHMZBOCLSA-N 274.364 3.917 30 20 CHED C[C@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 1776076654 ZZVOSPAIRSNFSJ-JTQLQIEISA-N 278.327 3.892 30 20 CHED O=C(O)c1ccc(NN=Cc2cc3ccccc3o2)cc1F 1776073889 UKXVTWXKFGSHMX-UHFFFAOYSA-N 298.273 3.716 30 20 CHED O=C(/C=C\c1cc(F)c(C(=O)O)c(F)c1)c1ccccc1 1776114645 VQXFTEKXPGSDKJ-SREVYHEPSA-N 288.249 3.559 30 20 CHED N#Cc1ccc(OCCOc2ccccc2Cl)cc1 11861208 ZELQVXKNRCICTG-UHFFFAOYSA-N 273.719 3.669 30 20 CHED N#CCCCCSCCOc1cccc(F)c1 161390945 XCSUDRQGHXHINI-UHFFFAOYSA-N 253.342 3.632 30 20 CHED C=CCOCCCC(=O)N1CCC(CCC(C)C)CC1 162871556 UTVZUHXJZJHTBY-UHFFFAOYSA-N 281.440 3.644 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H](C)CC(C)C 163226872 FDXMWRGETGRTJF-CYBMUJFWSA-N 280.437 3.880 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccc(Cl)cc1 151969033 AELLKFZPRCMQQL-SNVBAGLBSA-N 269.797 3.976 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)[C@@H](C)CC#N 152344430 GVELJJUDUJHVIQ-VIFPVBQESA-N 289.766 3.504 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCOC(C)(C)C1 153691904 DCBUCEKFDFPEEG-AWEZNQCLSA-N 269.429 3.811 30 20 CHED Cc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)cc1F 157600495 ZCDBNKARRHJWFF-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H](O)c1ccsc1 154715649 FPRNMGJNNWGZBR-KRWDZBQOSA-N 287.428 3.860 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)[C@@]1(C#N)CC12CCCC2 579796752 KXLKORPUGFOZFE-LPHOPBHVSA-N 294.398 3.573 30 20 CHED Cc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 20133998 PRGMFGBXYSOFBK-CQSZACIVSA-N 250.345 3.718 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 125322281 NVXMSFMWWNMDSC-UHFFFAOYSA-N 293.370 3.807 30 20 CHED COc1cccc(SCCOc2ccccc2C#N)c1 37143580 NSHZECAZMXUNOX-UHFFFAOYSA-N 285.368 3.738 30 20 CHED COc1cc(C)ccc1NCc1cc(C#N)ccc1F 178314657 LSXNHBFMSHADNH-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCCc1sc(C(=O)N[C@@H](C#N)C(C)C)cc1CC 463843169 WFVKFVZQBSNUSM-LBPRGKRZSA-N 278.421 3.541 30 20 CHED CC(C)c1ccccc1NC(=O)N1CCC(C#N)CC1 96722174 IMGRLRUWPRRKFI-UHFFFAOYSA-N 271.364 3.577 30 20 CHED COc1cc(Cl)ccc1CNc1ccc(F)cc1C#N 301398313 OJLDVFDQVMWILL-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1F 308074348 CQBWDIDQPBCIJJ-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@@H](C#N)C1CCCCC1 308082314 AJAYNSVTAIQDFR-HIFRSBDPSA-N 264.413 3.647 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 617787194 JBRIFINEWSEAPC-CYBMUJFWSA-N 268.360 3.596 30 20 CHED C[C@H](N[C@@H](C)c1ccc(F)cn1)c1ccc(C#N)cc1 92195864 VYHVYVSOZQWCPD-RYUDHWBXSA-N 269.323 3.504 30 20 CHED N#CCCC1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 576108681 XJNKKIWXWPDNIU-ZWKOTPCHSA-N 268.404 3.806 30 20 CHED C=C(C)CCNc1ccc(C(F)(F)F)c(C#N)c1 386745398 ZMEBPWACSODNNQ-UHFFFAOYSA-N 254.255 3.955 30 20 CHED C=CCN(Cc1ccccc1)c1nc(Cl)c(C#N)s1 804599477 ZPUDWTQYBDDTBZ-UHFFFAOYSA-N 289.791 3.861 30 20 CHED N#Cc1ccc(NCc2ccc(F)c(Cl)c2)cc1 53158173 OHVBEDSLLAZDKZ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCCN(CC#N)C(=O)c1oc2c(C)ccc(C)c2c1C 56485700 YKVGYOGSPUDXLQ-UHFFFAOYSA-N 284.359 3.734 30 20 CHED N#CCCCCNCc1cccc(-c2cccnc2)c1 178856511 SZBSYQDVLRGMIO-UHFFFAOYSA-N 265.360 3.532 30 20 CHED Cc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)c(O)c1 20126598 CDDOSVIQHUGQMR-ZDUSSCGKSA-N 282.343 3.776 30 20 CHED N#Cc1ccsc1C(=O)Nc1cccc(Cl)c1 52027779 BLCACISCKPJSKM-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=CCCCC(=O)Nc1sc(C)nc1CC(C)C 178125455 RFKMVTSBPGAEHX-UHFFFAOYSA-N 266.410 3.945 30 20 CHED CCN(CCC#N)C(=O)c1sc2ccc(F)cc2c1C 103210238 HJLRDUYIHWPDEM-UHFFFAOYSA-N 290.363 3.725 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(-c3cnco3)cc2)c1 176965369 OGCSJZAKWCXNAL-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc(-c2ccco2)s1 179774893 RFHRNXRIHBBXHH-NSHDSACASA-N 290.388 3.878 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)C2CCCCCC2)C1 116803520 MOBKVMJYQAUCNW-XJKSGUPXSA-N 262.397 3.545 30 20 CHED C[C@H](OC(=O)c1csc(C2CC2)n1)c1ccc(C#N)cc1 175786937 JNRBTCOTRCMRFR-JTQLQIEISA-N 298.367 3.810 30 20 CHED C=C(Br)CN[C@@H]1CCCC12CCCC2 306173339 JLXBPDOJZIBSJK-LLVKDONJSA-N 258.203 3.598 30 20 CHED COc1ccc(C#N)cc1CN(C)c1ccc(C)cc1 130451715 DRQYYIJGBRXHOC-UHFFFAOYSA-N 266.344 3.512 30 20 CHED C=C(Br)CN1CC[C@@H](C)c2ccccc21 306847186 JJOLMVLOSQDEEO-SNVBAGLBSA-N 266.182 3.909 30 20 CHED N#CCCCCNC(=O)Nc1cccc(SC(F)F)c1 171401603 JVQXAVCXLPIVLF-UHFFFAOYSA-N 299.346 3.817 30 20 CHED CCC[C@H](C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 171919306 ONFYSDQQRHDCMC-UONOGXRCSA-N 272.392 3.904 30 20 CHED N#Cc1ccc(CCC(=O)OCCCCC(F)(F)F)cc1 179170559 CACIKXTXFIACJG-UHFFFAOYSA-N 299.292 3.767 30 20 CHED CCN(C/C=C/c1ccc(Cl)cc1)C[C@H](C)C#N 179816736 AIORISLCHAPROK-MUBLQREKSA-N 262.784 3.835 30 20 CHED C=CCN(CC=C)c1nc(C(F)F)nc2ccccc12 301503419 YLPXYUPLPBIAEM-UHFFFAOYSA-N 275.302 3.746 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(F)cc1OC(F)F 119362227 BLAQXRWBAQEIIE-RKDXNWHRSA-N 259.271 3.652 30 20 CHED Cc1ccc(C(=O)CSc2cccc(C#N)c2)s1 177108010 VVOMUPUMDQVPMH-UHFFFAOYSA-N 273.382 3.903 30 20 CHED N#Cc1ccc(NCc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 301075131 GHASOYHHFADVCA-UHFFFAOYSA-N 292.298 3.560 30 20 CHED C[C@@H](NCc1ccccc1C#N)c1cccc(F)c1F 121951978 KQVSVQOQGBEQNA-LLVKDONJSA-N 272.298 3.687 30 20 CHED CCCCCCCCC(=O)N[C@@H](C#N)C(C)(C)C 122101344 XJHMEFMZTYDFJQ-ZDUSSCGKSA-N 252.402 3.791 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@@H](C#N)c2ccccc2F)c1 121017134 ULSWZAOSGDABIV-GUYCJALGSA-N 296.345 3.619 30 20 CHED CCc1nnc(NCc2ccc(F)c(C)c2)c(C#N)c1CC 301610705 CTWSFVXYZRYIPB-UHFFFAOYSA-N 298.365 3.533 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)s2)C1 180243622 QDVYSAAOOROQFF-VXGBXAGGSA-N 280.462 3.726 30 20 CHED C[C@@H](CC(=O)OCC1(C#N)CCC1)c1ccc(F)cc1F 183840095 OKKGZPZKVPUCSE-NSHDSACASA-N 293.313 3.695 30 20 CHED N#CC1(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)CCCC1 189614848 IOTJQQLWKXTQCM-SJORKVTESA-N 296.414 3.598 30 20 CHED C#CCCCCC(=O)N(CC1CC1)c1ccccc1 120259750 NSIWAWVVTORQDR-UHFFFAOYSA-N 255.361 3.623 30 20 CHED CC[C@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 301835195 WIJYKQGCCYSCMU-ZDUSSCGKSA-N 265.360 3.733 30 20 CHED CC(C)CCNCc1cn(CCC#N)nc1-c1ccccc1 72713335 OETWHAZFGYREOA-UHFFFAOYSA-N 296.418 3.599 30 20 CHED CC[C@@H](CC#N)NCc1ccc(OCC(C)C)cc1 184096379 SEMYPOXWKNIKCV-HNNXBMFYSA-N 260.381 3.503 30 20 CHED CC(C)c1ccccc1OCCN[C@H]1CCC[C@H](C#N)C1 185836536 WZLSGBQKFNJWMY-HOTGVXAUSA-N 286.419 3.861 30 20 CHED CSc1cccc(C)c1NC(=O)NCC1(C#N)CCC1 416998099 PDBKTFYGEHJKDB-UHFFFAOYSA-N 289.404 3.532 30 20 CHED N#CCN(CC(c1ccccc1)c1ccccc1)C1CC1 507766193 ISKCRYXMHVUGKV-UHFFFAOYSA-N 276.383 3.806 30 20 CHED Cc1cccc(C)c1NC(=O)CSc1ccc(C#N)cc1 79647929 VUWUKUOSYMLSBS-UHFFFAOYSA-N 296.395 3.906 30 20 CHED Cc1cc(NC[C@@H]2CCCC2(F)F)c(C#N)cc1[N+](=O)[O-] 413320808 VPAJDQQYMCYPDU-NSHDSACASA-N 295.289 3.622 30 20 CHED CCc1cccc(OCCN(CCC#N)Cc2ccco2)c1 78666756 MQADKCLTTZSXMO-UHFFFAOYSA-N 298.386 3.637 30 20 CHED COc1ccccc1[C@@H](C)NCc1ccc(C#N)cc1F 120096393 RPHGEPMEXJSESD-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CCn1cc(C(=O)O[C@@H](C#N)C(C)(C)C)c2ccccc21 184919451 QBXZJBVWAVTFIO-HNNXBMFYSA-N 284.359 3.756 30 20 CHED CCC[C@]1(C)CCCN(C(=O)NCc2ccc(C#N)cc2)C1 73630535 XOJPGSYYESATTL-GOSISDBHSA-N 299.418 3.670 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccc2c(c1)oc1ccccc12 507505873 CHZSRUFFJJKKJJ-GFCCVEGCSA-N 292.338 3.818 30 20 CHED C[C@H](Oc1ccc(F)c(F)c1)c1cccc(C#N)c1 189816337 GFPMKNSJVSAYGR-JTQLQIEISA-N 259.255 3.976 30 20 CHED CCCCCCCC(=O)OCc1ccccc1[N+](=O)[O-] 213792505 PCVOMUOTJLGQDN-UHFFFAOYSA-N 279.336 3.999 30 20 CHED C=CCCSc1nnc(-c2sccc2C)o1 128848530 CRCCBUGLGTWKAD-UHFFFAOYSA-N 252.364 3.775 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCC[C@H]1C(C)(C)C 416309098 MRHIIPCIVHOQJT-CVEARBPZSA-N 284.403 3.845 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccccc1C#N 72901174 OQNLSXZCQDDMRP-ZDUSSCGKSA-N 262.422 3.522 30 20 CHED CC(C)N(C)Cc1cccc(OCc2ccccc2C#N)c1 505886958 PCZODXJFHLRCNI-UHFFFAOYSA-N 294.398 3.977 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 410990308 SRHRPLHUGBPGFT-VHSXEESVSA-N 276.405 3.900 30 20 CHED C=CCOCCSCc1csc(-c2ccccn2)n1 419407745 YXIXKDGJRVWTSN-UHFFFAOYSA-N 292.429 3.641 30 20 CHED CC(C)(C#N)C(=O)Oc1ccc(-c2ccccc2)cc1 42091556 QGQCWYZYLPNJMU-UHFFFAOYSA-N 265.312 3.809 30 20 CHED CC[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 47053118 VLAZTLICCWBMTI-CJNGLKHVSA-N 285.391 3.593 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](OCC)c1ccccc1 182613560 PPNVQTDBSBCALA-GDBMZVCRSA-N 275.392 3.625 30 20 CHED CN(Cc1ccc(C#N)cc1)[C@H]1C[C@H]1c1cccc(F)c1 411138951 XCOAEGDAAYLMFT-ROUUACIJSA-N 280.346 3.685 30 20 CHED C=CCCCCCN1CCC(OC)(C(F)(F)F)CC1 419362868 YHSRRDIWOVIMJS-UHFFFAOYSA-N 279.346 3.776 30 20 CHED Cc1nc(Sc2ccc(O)cc2)c(Cl)cc1C#N 336792204 RANRGCOYIRZMJU-UHFFFAOYSA-N 276.748 3.772 30 20 CHED C=C1CCN(CCCOc2ccc(C)c(C)c2)CC1 521252808 PYYPZRFLWSJPGZ-UHFFFAOYSA-N 259.393 3.724 30 20 CHED C=C(Cl)CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1 134814861 SQNHIYIVBJUVES-NSCUHMNNSA-N 290.577 3.875 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Cl)cc1F 410135953 HFBXJRBNJOBJFQ-SNVBAGLBSA-N 255.720 3.564 30 20 CHED CC(C)(C#N)CNC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 503132204 FMXXJZNMQDZFDH-HOTGVXAUSA-N 299.418 3.562 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1c(C)cccc1OC 195025618 ZNXBSFOETAQZMG-ZDUSSCGKSA-N 276.380 3.870 30 20 CHED Cc1nccc(N=C(O)[C@@H]2CCCc3sccc32)n1 329595925 IIWJJXPKWUIQDI-LLVKDONJSA-N 273.361 3.555 30 20 CHED CCCc1cc(C(=O)NCC(C)(C)CC#N)sc1C 457985297 FWPSQVXSBLSRIG-UHFFFAOYSA-N 278.421 3.679 30 20 CHED C=C[C@@H](C)NC1CC(c2cccc(Br)c2)C1 229319910 JBWUNZNMBJHWJZ-PWQPVHBWSA-N 280.209 3.859 30 20 CHED COc1cc(C)c(N[C@@H]2CCC[C@@H](C#N)C2)cc1F 193304456 XXZMYQGWVYTWAQ-VXGBXAGGSA-N 262.328 3.637 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(COC(C)C)cc1 194433544 VQZLOHTULVCYLM-AWEZNQCLSA-N 291.391 3.531 30 20 CHED COc1ccc(Cl)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 193270497 ABKUPDONAUFGDW-GHMZBOCLSA-N 264.756 3.843 30 20 CHED OC(=Nc1csc(-c2ccccn2)n1)[C@H]1C[C@H]1C1CC1 329427333 JFFGETPIJSSEPJ-QWRGUYRKSA-N 285.372 3.839 30 20 CHED CC(C)(C)c1csc(N=C(O)[C@H]2CCCC(O)=N2)n1 328811226 MTQAJLHVQAQKGZ-MRVPVSSYSA-N 281.381 3.538 30 20 CHED C[C@@H](CC1CCCC1)/C(O)=N/Cc1noc(C2CC2)n1 328941467 IBBPPYZPWNEHEG-JTQLQIEISA-N 277.368 3.620 30 20 CHED C=CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1 191851149 LNFXGSSWOOLJJN-UHFFFAOYSA-N 274.320 3.588 30 20 CHED CC(C)(C)OCCCCN1CCc2c(C#N)cccc21 420973496 MHOKAFWJXLRLKV-UHFFFAOYSA-N 272.392 3.516 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1sccc1Br 381314545 MOTPAMNXEWCTEJ-LPEHRKFASA-N 299.237 3.853 30 20 CHED C[C@@H]1C[C@H](NC(=O)C2(C#N)CCC2)C[C@@H](c2ccccc2)C1 333989187 IUTBFXICKHGSOC-XIRDDKMYSA-N 296.414 3.769 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(OC)cc2F)cc1 140586845 LAWGAQCZIIJPMF-YHYXMXQVSA-N 286.302 3.739 30 20 CHED CC#CCN(C)C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 518430004 LSLYHJJETLFWNU-IAGOWNOFSA-N 293.451 3.624 30 20 CHED Cc1ccc(C)c(C(=O)Nc2ccccc2CC#N)c1 334443224 CUCHTGMUTNKVRJ-UHFFFAOYSA-N 264.328 3.622 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1scnc1C1CC1 336094212 OUKZTEQMKMSHKR-NSHDSACASA-N 277.393 3.593 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 425128291 KAYUKRISNNUMIU-CKEIUWERSA-N 284.403 3.904 30 20 CHED Cc1nc(-c2cccc(NC(=O)[C@]3(C#N)C[C@H]3C)c2)cs1 336234196 ICXVDZNJCBEGEZ-HWPZZCPQSA-N 297.383 3.607 30 20 CHED CCCN(C)C(=O)c1sc2ccc(C#N)cc2c1C 334483114 YMJRMGTWDNGOTK-UHFFFAOYSA-N 272.373 3.563 30 20 CHED CCc1nc(N=C(O)c2cc(C(C)(C)C)on2)sc1C 330885584 QQSJEOGWBDEQKY-UHFFFAOYSA-N 293.392 3.936 30 20 CHED Cc1sccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 335075670 IFCVKEIRWDTDLD-NSHDSACASA-N 284.384 3.761 30 20 CHED Cn1c(N=C(O)[C@H]2C[C@@H]2C2CCCCC2)nc2cccnc21 330315207 YMVIUKVKKYYEGB-OLZOCXBDSA-N 298.390 3.773 30 20 CHED COc1ccc([C@@H]2CCN(CC(C)(C)CCC#N)C2)cc1 92783710 UULUURJLBXJJKF-MRXNPFEDSA-N 286.419 3.814 30 20 CHED CC[C@H](Nc1ccccc1)C(=O)Nc1cccc(C#N)c1C 434650873 SLHHKYBQECQYSX-INIZCTEOSA-N 293.370 3.696 30 20 CHED COC(=O)[C@@H](Sc1ccc(C#N)cc1)c1ccccc1C 438902485 SNQLHAVPPKVFSF-INIZCTEOSA-N 297.379 3.873 30 20 CHED CCCCOc1ccc(CN(C)[C@@H](C)CC#N)cc1 93090874 WCXBDGUUPOLIDB-AWEZNQCLSA-N 260.381 3.599 30 20 CHED CO[C@H](CN(CCC#N)CCC(C)C)c1ccccc1 338545849 IZUSCJOXCHIXRU-QGZVFWFLSA-N 274.408 3.636 30 20 CHED Cc1cc[nH]c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 435702343 YSBXDFWLKMYQBI-NSHDSACASA-N 299.399 3.827 30 20 CHED COc1ccccc1SCC#Cc1ccc(F)cc1 433373425 GNNHFFSUIHGNBG-UHFFFAOYSA-N 272.344 3.978 30 20 CHED CCN(Cc1ccccc1Cl)c1ccnc(C#N)c1 341519612 AVXQRBALMRRIIB-UHFFFAOYSA-N 271.751 3.633 30 20 CHED CC(C)[C@@H](NCc1cccc(C#N)n1)c1ccc(F)cc1 602514289 SLPXIKZYFNMICZ-QGZVFWFLSA-N 283.350 3.579 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H]2CCCO[C@@H]2c2ccccc2)C1 248901648 UMDQWCDDANMXKH-OQIJWPOYSA-N 298.430 3.826 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(NC[C@H](C)CCC#N)c1 602494388 XPAVQDDUZJHUMT-CQSZACIVSA-N 282.391 3.841 30 20 CHED N#Cc1cccc(C2(NCc3c(F)cccc3F)CC2)c1 341972897 PFCNFYXVQSTTDQ-UHFFFAOYSA-N 284.309 3.615 30 20 CHED C=CC[C@@H](C)NC(=O)N(CC)Cc1ccc(Cl)cc1 523949220 PZNLGLKXVPXHOI-GFCCVEGCSA-N 280.799 3.836 30 20 CHED C=CCCCC(=O)Nc1cc(C)nn1[C@@H]1C[C@H]2CC[C@H]1C2 342087330 BEWQSPKGMQTQEX-SOUVJXGZSA-N 287.407 3.847 30 20 CHED CCc1ccc([C@@H]2CCN(c3snc(C)c3C#N)C2)cc1 431503182 VYTKJMQSWVVGPB-OAHLLOKOSA-N 297.427 3.880 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(CSC)c1 521555962 JJJKOTKDNOYBSS-UHFFFAOYSA-N 264.394 3.637 30 20 CHED C=CCn1c(S[C@@H](C#N)C2CC2)nnc1-c1ccccc1 601070406 PHCUQZRGFQUWAJ-AWEZNQCLSA-N 296.399 3.525 30 20 CHED COc1cc(/C=C\C(=O)c2ccco2)ccc1OC(F)F 255606860 HVSAKCFAGSJROZ-XQRVVYSFSA-N 294.253 3.786 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 608821239 OZOZDYUVQAEWJR-YPMHNXCESA-N 290.432 3.541 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CCC=CCC1 602162797 GADGKDOCUQMZQL-SFHVURJKSA-N 294.398 3.798 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)c1cc2ccccc2s1 448929477 SCAAAWWOFMCXDP-XMZIXOGTSA-N 284.384 3.628 30 20 CHED CC(=NNC(=S)NC1CCCCC1)c1ccc(C)cc1 254401372 DHVLPLBQLIHCEY-UHFFFAOYSA-N 289.448 3.516 30 20 CHED CCc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 52201672 PUDMQPDKJYYDOR-CQSZACIVSA-N 264.372 3.971 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 608805177 MRHUCGADIUXAEA-UHFFFAOYSA-N 293.326 3.650 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(F)cc(Cl)c1 268323116 LCSHXZAXGIINSF-UHFFFAOYSA-N 255.720 3.517 30 20 CHED N#C[C@H]1CC[C@@H](n2cc(-c3ccc(Cl)s3)nn2)C1 600812370 CEFKNWWVIRBTLG-DTWKUNHWSA-N 278.768 3.525 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@H]1CC[C@@H](C)C1 354098785 ZZHXFHHOWQLJTE-OLZOCXBDSA-N 285.391 3.755 30 20 CHED CCCc1nsc(N(Cc2ccc(C#N)cc2)C2CC2)n1 359905604 UTIXNYQWMBHUEE-UHFFFAOYSA-N 298.415 3.531 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)c1cc2cccc(F)c2o1 359691943 ABJSFPVNYRUPGX-NSHDSACASA-N 297.333 3.633 30 20 CHED C=CCCOCCCCc1nc(Cc2cccs2)no1 538306864 CWUNSSSHVFDSIW-UHFFFAOYSA-N 292.404 3.637 30 20 CHED N#Cc1csc(CN2CCC[C@@H]3CCCC[C@H]32)c1 353843616 IZCXBLOEOSLDGV-DZGCQCFKSA-N 260.406 3.774 30 20 CHED COc1ccc(Cl)cc1C[C@H]1CCCN(CCC#N)C1 355755441 DRFBGSWTIZECEG-CYBMUJFWSA-N 292.810 3.517 30 20 CHED N#C[C@@]1(F)CCN(Cc2cccc(Oc3ccccc3)c2)C1 615638710 PMBGDLYZJXGFNA-SFHVURJKSA-N 296.345 3.916 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N[C@H](C)c1cccc(C#N)c1 537308341 LMRGDMFEMNITMB-XYPHTWIQSA-N 286.419 3.803 30 20 CHED C=CCN(CC#Cc1ccc(F)cc1)Cc1cccs1 448377427 SHJDVHKVHWKFCZ-UHFFFAOYSA-N 285.387 3.927 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)o1 537303666 HLZWNRMNBASWSS-CQSZACIVSA-N 288.778 3.916 30 20 CHED CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2C)C1(C)C 614400809 GOOVXUCXZRZLCN-SJORKVTESA-N 286.419 3.502 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)Cc1ccccc1C(F)(F)F 449521424 RMZFWADZOTYMHN-GLQYFDAESA-N 299.336 3.570 30 20 CHED CC(C)CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 610357528 ODONIDPETIJITO-KBPBESRZSA-N 287.407 3.743 30 20 CHED C[C@@H](NC(=O)N1CC2(CCCCC2)C1)c1cccc(C#N)c1 612840866 FPMXAJIXCDZKPN-CQSZACIVSA-N 297.402 3.595 30 20 CHED N#CC1(CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 535754907 UMOFYQVLNXGBLP-UHFFFAOYSA-N 296.399 3.541 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)CSCc1ccccc1 440257969 HHBVRWOIHKJUQG-OAHLLOKOSA-N 289.444 3.757 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(SC(F)F)cc1 267265518 RALXVYWXQWFJLI-NSHDSACASA-N 298.358 3.669 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(CC#N)c1 265646398 VUHWVLGMWGONFB-YOEHRIQHSA-N 284.403 3.793 30 20 CHED CC(C)(C)c1ccc(CC(=O)N2CCC[C@](C)(C#N)C2)cc1 612233949 WSBVLPCKGAPHGX-LJQANCHMSA-N 298.430 3.679 30 20 CHED Cc1cc(C#N)ccc1OCc1ccn(C2CCCC2)n1 532422471 ACUBKKLPMWPVEH-UHFFFAOYSA-N 281.359 3.757 30 20 CHED CCC[C@H](CC)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455124001 AAUBXDJEVCIEHW-INIZCTEOSA-N 286.419 3.822 30 20 CHED COc1c(OC[C@H](C#N)CCC#N)ccc2ccccc12 453012075 IKGFKYAREQHHIM-ZDUSSCGKSA-N 280.327 3.671 30 20 CHED CC1(C)CCC[C@@H](NC(=O)Nc2cccc(CC#N)c2)C1 455900659 CQNFMQAWCDJBCF-OAHLLOKOSA-N 285.391 3.843 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H](Oc2ccccc2)C1 369997644 PSHKNOLSYIXTPN-KRWDZBQOSA-N 286.419 3.860 30 20 CHED CC[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 618574761 JOTZVGXHKRTIEK-ZIAGYGMSSA-N 264.319 3.787 30 20 CHED C=CCC1(CNC(=O)N(CC)CC2CC2)CCCC1 459114591 VZZBWNYODTZJJW-UHFFFAOYSA-N 264.413 3.564 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC(C2CCCCC2)C1 458771166 QYPHPAQYHZZJOO-UHFFFAOYSA-N 291.439 3.538 30 20 CHED C[C@@H](NCCc1ccccc1)c1ccc(C#N)c(F)c1 538503053 XRIDTEXCKSXTOY-CYBMUJFWSA-N 268.335 3.591 30 20 CHED C[C@@H](c1ccc(C(=O)N(C)[C@H](C)CC#N)cc1)C(F)(F)F 455431630 VNKZBKXGNUALGC-MNOVXSKESA-N 298.308 3.727 30 20 CHED CC[C@@H](CC#N)NC(=O)C(C)(C)c1ccc2ccccc2c1 613037412 SSNQCJBUHHVAMO-KRWDZBQOSA-N 294.398 3.926 30 20 CHED C=C(CC)CNC(=O)C(C)(C)Oc1cccc(Cl)c1 456824137 DGVCOSWPDUYAPZ-UHFFFAOYSA-N 281.783 3.580 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C 455326643 ORILFZDDUUXMMJ-RDJZCZTQSA-N 286.419 3.930 30 20 CHED C=C(C)CCc1noc([C@H]2Cc3cccc(C)c3O2)n1 453180141 JWCLMEYCTWNCTR-CYBMUJFWSA-N 270.332 3.563 30 20 CHED C=CC(C)(C)c1nc(CCCOc2ccc(F)cc2)no1 453073757 CTBAVMZLXJIFHU-UHFFFAOYSA-N 290.338 3.684 30 20 CHED C=CCC1(NC(=O)C[C@@H](C)SC)CCCCC1 456374419 WWOJVMXKNXTHEE-GFCCVEGCSA-N 255.427 3.523 30 20 CHED C=CCN(C)C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 455575357 BOAAGGQVWSHBGQ-HIFRSBDPSA-N 292.810 3.804 30 20 CHED Cc1nc(NCCC#N)c2c(CC(C)C)csc2n1 362681795 SURKVRPAAATUMO-UHFFFAOYSA-N 274.393 3.524 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OCC)c(Cl)c1 276333105 QXVXCJICVWEDMP-UHFFFAOYSA-N 282.771 3.779 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCc4c(F)cccc43)CC2)c1 272318833 VJJQQJMRRBDASX-GOSISDBHSA-N 292.357 3.964 30 20 CHED C=C(C)CCNC(=O)N(CC(=C)C)Cc1ccccc1 455325947 NTLNHDNYFQIOEJ-UHFFFAOYSA-N 272.392 3.741 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1C[C@H](C)CC(C)(C)C1 544116652 DUOGPIXXPJFMGG-KGLIPLIRSA-N 256.393 3.987 30 20 CHED N#CCCCCNC(=O)N1CCCC[C@H]1c1ccccc1 273949531 FGFDTQLTGHQCHW-INIZCTEOSA-N 285.391 3.617 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Br)cc1CC 275173734 BQMWYFWENQSRSX-UHFFFAOYSA-N 297.196 3.661 30 20 CHED CSc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 278797440 QWQFXFYTNQQEQJ-UKRRQHHQSA-N 274.433 3.889 30 20 CHED C[C@@H](CCc1ccco1)N[C@H](C)c1ccc(C#N)c(F)c1 271969668 WLZGPBKMQBDLTC-QWHCGFSZSA-N 286.350 3.962 30 20 CHED C#CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 271524842 OXNWUKHRIDVWTP-WMLDXEAASA-N 293.366 3.831 30 20 CHED N#CCc1ccc(NCc2cnc([C@@H]3CCCO3)s2)cc1 273538310 ARPBOPPXOOPEKU-HNNXBMFYSA-N 299.399 3.673 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 469741614 JQKRYUXARBGKCL-OAGGEKHMSA-N 281.440 3.689 30 20 CHED C=CCCc1ccccc1NC(=O)N(C1CC1)C1CC1 626555167 NQSMCZVVGXADSK-UHFFFAOYSA-N 270.376 3.964 30 20 CHED C=C(CC)CNC(=O)N[C@H](CCc1ccccc1)C(F)F 624178529 PDHNTPZLSJLVKQ-CQSZACIVSA-N 296.361 3.518 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCO[C@H](C(C)C)C2)c1C#N 273396138 VSEGUAKUIIIXIL-RISCZKNCSA-N 293.798 3.531 30 20 CHED N#Cc1cccc(C2(c3nc(CC4=CCCC4)no3)CC2)c1 546964396 KQPWUKYVPADWKJ-UHFFFAOYSA-N 291.354 3.674 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC(C)(C)[C@@H]1C#N 277826131 HXYZAEZBTISWFS-BBWFWOEESA-N 296.414 3.639 30 20 CHED C=CCC[C@H](NC[C@@H](C)Oc1ccccc1)C1CC1 540181837 JEFDHMUBENWIOW-PBHICJAKSA-N 259.393 3.788 30 20 CHED C=CCOCCCC(=O)N1CCCCC[C@@H]1CC(C)C 464070767 WBRAAVLKENMOAI-MRXNPFEDSA-N 281.440 3.787 30 20 CHED Cc1ccccc1-c1cnc(CN2CCC(CC#N)CC2)o1 541953374 KHLCWDIGZOGRHK-UHFFFAOYSA-N 295.386 3.776 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCOc2c(CC)cccc21 467945792 NOHXXGCBFVJMFX-MAUKXSAKSA-N 287.403 3.791 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C#N)c(Cl)c1 466389380 QGTCLIDCFHMKMY-LLVKDONJSA-N 277.755 3.688 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCC#Cc1ccccc1 466247712 CPVFJAHETVSSGC-QZTJIDSGSA-N 298.430 3.648 30 20 CHED C=C(C)CN1CCC(Nc2ccnc(C(F)(F)F)c2)CC1 286666301 FGUYTEPJVDXXBL-UHFFFAOYSA-N 299.340 3.553 30 20 CHED C=C[C@@H](C)NC(=O)Cc1ccc(-c2ccccc2)cc1 465122727 PZOQGMUVOYMQBY-CQSZACIVSA-N 265.356 3.587 30 20 CHED C=CCCCCCCNC(=O)Nc1nc(C)c(C)o1 286989004 KUNCQEVWDYGDEY-UHFFFAOYSA-N 265.357 3.549 30 20 CHED C[C@H](C(=O)N1CCC(C)(C2CC2)CC1)c1cccc(C#N)c1 462448016 QFOWPGWPKYTLPZ-AWEZNQCLSA-N 296.414 3.700 30 20 CHED C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(C#N)cc1Cl 554370578 VCUQOOQAEQKDDI-VHRDEZTHSA-N 270.710 3.516 30 20 CHED Cc1cc(CNC2CC(c3ccccc3)C2)ccc1C#N 466420850 HLLSSYPZLLWSGL-UHFFFAOYSA-N 276.383 3.903 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccccc1C 280713692 UGXDIUDTYKSCEE-INMHGKMJSA-N 259.393 3.627 30 20 CHED Cc1cc(Cl)nc(CN[C@H](C)c2cccc(C#N)c2)c1 283672997 YIUPULZSSZFPNC-GFCCVEGCSA-N 285.778 3.766 30 20 CHED CC(C)(C#N)CCNc1ccc2c(c1)C(=O)CCC2 288716945 LQLBWCRDSMNOKV-UHFFFAOYSA-N 256.349 3.557 30 20 CHED C=CCC[C@@H](NCCCc1ncccc1C)C1CC1 295856075 BHJFAJKBAPBOHH-QGZVFWFLSA-N 258.409 3.657 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)Cc1ccccc1Cl 800211663 IYMHQFYEPMAZQQ-MRXNPFEDSA-N 294.778 3.597 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2(CCF)CC2)cc1 290224013 WXEWTFGHUPMLEK-UHFFFAOYSA-N 274.339 3.566 30 20 CHED C#C[C@@H](CC)N[C@H](C)Cc1cccc(C(F)(F)F)c1 809685690 LMCGENWHBBEHGN-RISCZKNCSA-N 269.310 3.638 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H]1c1ccccc1C)C(C)(C)C 808315449 FNISSPRBUQRGKM-IRXDYDNUSA-N 298.430 3.889 30 20 CHED C=CCOCCCSCCc1ccc(OC)cc1 479605503 WJMKFZMHGYEHOP-UHFFFAOYSA-N 266.406 3.564 30 20 CHED C=C(C)[C@H](NC(=O)C[C@H]1C[C@H]1C)c1ccc(F)c(F)c1 558563959 VSOYNAOXKIHMCD-SIVJFFJCSA-N 279.330 3.744 30 20 CHED C=CCOCCSc1nnc(-c2ccc(C)cc2C)o1 555004560 KQAFVUFGDZGBHH-UHFFFAOYSA-N 290.388 3.648 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1cc(C#N)c2ccccc2n1 809075629 HQELCLUPHKOCIF-QXMHVHEDSA-N 279.343 3.791 30 20 CHED C[C@@H]1Oc2ccccc2[C@@H]1Nc1nc(Cl)c(C#N)s1 808132310 AMYKALJSICAFGY-WRWORJQWSA-N 291.763 3.602 30 20 CHED N#Cc1ccc(NCc2ccc(OCC3CC3)cc2)cc1 478579632 JPWCNQLTOVYLEW-UHFFFAOYSA-N 278.355 3.959 30 20 CHED C#C[C@H](NC(=O)c1c(C)oc2ccc(OC)cc12)C(C)(C)C 807881256 DOLLFLMWLBCACD-HNNXBMFYSA-N 299.370 3.528 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)CCCC#N 292365666 PCZVHNVSKAUKFB-HNNXBMFYSA-N 258.365 3.680 30 20 CHED COc1ccccc1-c1ccc([C@H](C)NCCC#N)cc1 299144594 WOJOIPDVSNYPTO-AWEZNQCLSA-N 280.371 3.926 30 20 CHED C=C[C@H](C)NC(=O)C1(c2ccccc2OC)CCCCC1 645766106 YDNZTEYXNPBATA-AWEZNQCLSA-N 287.403 3.588 30 20 CHED N#Cc1ccc(Cl)cc1OC(=O)OC1CCCC1 296343008 PYRKEESRVISNKO-UHFFFAOYSA-N 265.696 3.670 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCCN1C1CCCC1 805217579 DYZCMAPGIRPLFF-KRWDZBQOSA-N 292.467 3.646 30 20 CHED CC(C)(C)OCCCC(=O)O[C@H](C#N)C1CCCCC1 802801370 WWHKYNVHYDKYEX-CQSZACIVSA-N 281.396 3.597 30 20 CHED Fc1ccc2oc(C=NNCC3CCCC3)cc2c1 808008646 SXVZZDMHSMFZGV-UHFFFAOYSA-N 260.312 3.686 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)C3CC3)c2C#N)[C@H](C)C1 297878172 PLLAPIKOXOWXBJ-DTWKUNHWSA-N 274.389 3.654 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2O)c(C)c1OC 806573163 GCGZZEGIYGVZGV-NTMALXAHSA-N 298.338 3.614 30 20 CHED C=CCCCCNC(=O)CCCc1ccc(C)s1 471717631 ZTRADCFTECWKCJ-UHFFFAOYSA-N 265.422 3.852 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(F)c(Cl)c1 809997291 ZDDLEPRQGZNHBW-UHFFFAOYSA-N 287.721 3.642 30 20 CHED Cc1cc(C)c(C(=O)N2CCc3ccc(C#N)cc32)c(C)c1 560159098 CHYVOYRZHSVAJT-UHFFFAOYSA-N 290.366 3.686 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CC1(C)C 471924556 VMZJDPFDEABDCG-INIZCTEOSA-N 286.419 3.820 30 20 CHED CC(C)(C)c1ccc(COC(=O)CCCCCC#N)cn1 805946466 IZCZXOGAXGHYCG-UHFFFAOYSA-N 288.391 3.896 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(-c2ccccc2)ns1 475793873 UVEQEXWHYILILQ-LLVKDONJSA-N 287.388 3.896 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCCC[C@H]1CC 569742414 FHQXKAXTJKQDCP-UONOGXRCSA-N 276.428 3.747 30 20 CHED C#CCOc1ccccc1CNc1nccc(C)c1Cl 804459988 OGIBKZCBWMNUIK-UHFFFAOYSA-N 286.762 3.668 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(F)cc1OCC(F)F 298035899 VPMCQLHQLVYCNZ-UHFFFAOYSA-N 287.281 3.620 30 20 CHED CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCC#N)o1 292058365 HEZLFXHAHXPOQU-DZGCQCFKSA-N 288.391 3.835 30 20 CHED C=CCCCn1cc(C(C)(C)OCc2ccccc2)nn1 640935404 DBXPHLJQCPMJKN-UHFFFAOYSA-N 285.391 3.696 30 20 CHED C=CCn1c(Cc2ccccc2C)nnc1N(C)[C@H](C)CC 568698947 WOMGSHGOVSGPEB-OAHLLOKOSA-N 298.434 3.598 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1CCCCC 489053833 XFEZGPDHBCNOLG-OAHLLOKOSA-N 274.408 3.859 30 20 CHED C=CCCCCCCCNC(=O)NC[C@H]1CCO[C@@H](C)C1 811899696 FOKSJTRQOQYJGZ-HOTGVXAUSA-N 296.455 3.627 30 20 CHED C=CCC(C)(C)c1noc(C2CCC(OC)CC2)n1 645629030 JWKWYTYYFJVUFB-UHFFFAOYSA-N 264.369 3.596 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(CC(C)C)CC1 561620954 LROYSBAPNIBXHD-MRXNPFEDSA-N 266.473 3.831 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 569454674 CEQQRLJYEZZFNZ-HUUCEWRRSA-N 299.418 3.549 30 20 CHED C=CCCCCCCNC(=O)[C@@H](O)c1ccc(Cl)cc1 813611791 DZZIUDUZCFLJRA-HNNXBMFYSA-N 295.810 3.626 30 20 CHED c1cc2c3c(c1)C(=NOCCC1CC1)CC[C@@H]3CN2 814941678 QJDLDYNIEIZTIM-GFCCVEGCSA-N 256.349 3.510 30 20 CHED C[C@@H]1CCC(=NNC[C@H]2CCSC2)c2ccccc21 811660904 BEZLDHJTVKDDSB-CHWSQXEVSA-N 274.433 3.631 30 20 CHED CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)OCCCC#N 812645946 GHLGWHZPJFRFBV-AWEZNQCLSA-N 295.766 3.590 30 20 CHED C=C(C)C(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2o1 819952174 MSYWQNCLFZJAFH-NSHDSACASA-N 268.316 3.606 30 20 CHED C=CCCCS(=O)(=O)N(Cc1ccccc1)[C@@H](C)CC 489050599 XDFJSMFVNCPCHV-HNNXBMFYSA-N 295.448 3.583 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 819631869 YEYYMITVEQJALJ-GOZKOOQGSA-N 296.414 3.806 30 20 CHED FC(F)(F)c1ccc(NN=C2CC[C@@H]2C2CC2)nc1 814709989 KBZQHBCFWDBWQA-SNVBAGLBSA-N 269.270 3.688 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)C1(C)C 571173796 AEKISHLYNOYQAP-AWEZNQCLSA-N 299.418 3.630 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)C1 570017584 RJJAYVVSROZZHZ-XYEKJYRLSA-N 282.387 3.681 30 20 CHED C=CCn1cccc1C(=O)Nc1c(C)cc(N(C)C)cc1C 489994312 ZJXKRVKVPKNYEP-UHFFFAOYSA-N 297.402 3.609 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C)c1cc(C)c(C(=O)O)o1 659802601 ZTWZUYGRRMUKQL-UPJWGTAASA-N 275.348 3.530 30 20 CHED Cc1cc(/C=C2\Oc3ccc(F)cc3C2=O)ccc1F 729151767 XKNZPSKBSAUWBK-CHHVJCJISA-N 272.250 3.889 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CC)CSc1ccccc1 815867106 BEAPFZLEVVSIKR-LBPRGKRZSA-N 299.386 3.885 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1c1ccccc1C 489030684 YZLAIKFWRRYHPD-QGZVFWFLSA-N 294.398 3.960 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 816363306 GVSIZEMPSMFTMQ-AWEZNQCLSA-N 297.301 3.734 30 20 CHED C=CC(C)(C)C(=O)N(C)[C@@H](C)CSc1ccccc1 650228540 AQFHZESANIMIOZ-ZDUSSCGKSA-N 277.433 3.838 30 20 CHED C=C(C)CCNC(=O)[C@H](C)c1ccc(Cl)cc1 650069150 OZVPKESOTHNUPZ-LLVKDONJSA-N 251.757 3.526 30 20 CHED CSCCc1ccc(N=Cc2cccc(O)c2O)cc1 727653602 SHZWHLBYLZAWLI-UHFFFAOYSA-N 287.384 3.754 30 20 CHED C=CCOC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727930189 SVLNRNSAPSLOQW-UWVGGRQHSA-N 271.143 3.826 30 20 CHED CCCCCC[C@@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 822350281 HMDJJMBLTDTFNH-RHSMWYFYSA-N 276.424 3.936 30 20 CHED C[C@@H](C[C@@H](O)c1ccccc1)NC1CCC(C)(C#N)CC1 824057606 HUOOCMIXLWQWOT-FQXVJMBOSA-N 286.419 3.561 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(C)c(Br)c(C)c1 494853555 NLVAIQIXSFTSPJ-JTQLQIEISA-N 297.196 3.762 30 20 CHED C=CCN(C(=O)c1cc(F)c(Cl)nc1Cl)C(C)C 728809913 NNBDISGQVLAVLM-UHFFFAOYSA-N 291.153 3.564 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1cccc(OC)c1 663757052 PGTXYWKZKGMMGR-CYBMUJFWSA-N 290.407 3.800 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CC2CC(F)(F)C2)cc1 825477329 WZEKCEBBAYBKQV-UHFFFAOYSA-N 292.329 3.677 30 20 CHED C=CCC1(N[C@@H](C)C2CCC(F)(F)CC2)CCOCC1 668551691 UOUJMCJEWUEWMU-ZDUSSCGKSA-N 287.394 3.915 30 20 CHED C=C[C@H](CC)CC(=O)O[C@H](c1ccccn1)C(F)(F)F 904016506 IIDUJVAMOSHBAS-ZWNOBZJWSA-N 287.281 3.831 30 20 CHED CC(C)(CCC#N)CNCc1ccc(-c2cnco2)cc1 906520423 ROJRSFADZVIRDN-UHFFFAOYSA-N 283.375 3.761 30 20 CHED C=CCN(CCc1ccccc1)Cc1c(C2CC2)cnn1C 667557119 NKQHELOGLAAUMY-UHFFFAOYSA-N 295.430 3.528 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cncn1Cc1ccccc1 821452065 LVHMLOMOMFIFLS-UHFFFAOYSA-N 298.386 3.577 30 20 CHED C=CC[C@H](NC(=O)/C=C\c1ccccc1F)c1ccncc1 734456865 DOYOMMXWZPDMMK-JJEJIETFSA-N 296.345 3.668 30 20 CHED C[C@@H](C(=O)OCCCCC1(C#N)CCC1)c1ccco1 909029185 TUTGHGDEZYXVIL-CYBMUJFWSA-N 275.348 3.790 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(OC)ccc2F)C1 666312658 VBCPJNLLTJTKES-LBPRGKRZSA-N 292.354 3.654 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1ccc(F)cc1C)OC 834965662 GIPUXXFUCGDTRP-QMTHXVAHSA-N 252.333 3.593 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2ccc(Cl)cc2)C1 839040745 AYXHDSMPLLIMJX-JSGCOSHPSA-N 277.751 3.508 30 20 CHED C=C(Cl)COC(=O)CCc1cc(Cl)cs1 736946037 OVHPCWYNRNRVGB-UHFFFAOYSA-N 265.161 3.630 30 20 CHED C=CCN(CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)C(C)C 839968478 KUXPKJOKUPPWLQ-QGZVFWFLSA-N 298.430 3.594 30 20 CHED Cc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)oc1C 581346438 AWFDCFLBPWHNQM-UHFFFAOYSA-N 286.306 3.596 30 20 CHED CCc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc(Cl)n1 905928496 CDAJYFUOHLISST-GXFFZTMASA-N 292.766 3.537 30 20 CHED COc1ccc2[nH]cc(C=NOCc3ccccc3)c2c1 730144874 JQFDZHILWJDKBZ-UHFFFAOYSA-N 280.327 3.727 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCC(C)(C)C#N 903101250 DISMPCWCWODVKY-MRXNPFEDSA-N 281.403 3.993 30 20 CHED C/C(=C/c1ccccc1C(F)(F)F)CNC[C@@H](C)C#N 580097907 LIOWXXALRRDVCV-RDQDRAATSA-N 282.309 3.858 30 20 CHED C=C(C)CCc1noc([C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 904069895 QDLBBOIQEXUEKT-KGLIPLIRSA-N 299.330 3.758 30 20 CHED CCC#C[C@@H](C)N[C@H](C)c1cccc(OC(F)F)c1 678743054 SAUNZTAOEVYAPW-VXGBXAGGSA-N 267.319 3.741 30 20 CHED C=CCC1(C(=O)OC2CCC(OC)CC2)CCCC1 835219342 KYEGREHOTQZNKO-UHFFFAOYSA-N 266.381 3.624 30 20 CHED C=C(CNC(=O)C1(c2ccccc2C)CC1)c1ccccc1 673343406 OWVYBNFLWAKODN-UHFFFAOYSA-N 291.394 3.856 30 20 CHED C=C(C)CCc1noc(-c2ccn(-c3cccc(F)c3)n2)n1 671670981 NGKAQCLJOYUQLD-UHFFFAOYSA-N 298.321 3.570 30 20 CHED CC1(c2ccccc2)CCN(c2cccnc2C#N)CC1 589586720 WUPYNKUDBLEDEO-UHFFFAOYSA-N 277.371 3.511 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc(C)c2ccccc12 839812028 JSUDUHYYVQFLPM-UHFFFAOYSA-N 279.383 3.814 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCCCCC#N 914619751 FAKFDUXPXHXSNR-PMPSAXMXSA-N 295.423 3.701 30 20 CHED COc1ccc(C(C)=NNc2ccc(C#N)cc2)cc1F 915962089 MWYDQMDLNMQWBA-UHFFFAOYSA-N 283.306 3.542 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1csc(C)c1 834963394 VAINGFZHKIRDEN-UHFFFAOYSA-N 280.784 3.644 30 20 CHED CS[C@@H]1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 597261664 JZEPNFYMZOBXPD-UONOGXRCSA-N 294.464 3.641 30 20 CHED CC#CCOC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 744939506 XECLDSORSHFNBE-UHFFFAOYSA-N 284.277 3.550 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2oc(S)nc2c1 831732305 GPRCXLVTFLGNEW-JTQLQIEISA-N 290.388 3.591 30 20 CHED CCC(Cc1ccccc1)=NNc1ccc(Cl)nn1 745806782 XOOQKKOUARBOSI-UHFFFAOYSA-N 274.755 3.551 30 20 CHED C=CCN(C(=O)c1ccc(O[C@@H](C)CC)cc1)C(C)C 749982121 VGCCSSMHSJMIKR-AWEZNQCLSA-N 275.392 3.901 30 20 CHED CC[C@H](NCc1cc(OC)ccc1F)c1ccc(C#N)cc1 598680526 ZUYWHONIFRWHHS-SFHVURJKSA-N 298.361 3.947 30 20 CHED Cc1ccc(C(C)(C)CNc2cccc(F)c2C#N)nc1 599137930 UIRVKYGGUBRBJK-UHFFFAOYSA-N 283.350 3.791 30 20 CHED Cc1ccc(OC(F)F)c(CN2CCC[C@H](CC#N)C2)c1 595623582 UKTSWPAFCWAYSW-CYBMUJFWSA-N 294.345 3.722 30 20 CHED C[C@@H](NCC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(OCC#N)cc1 848559126 VTCPKPGSXHDFOF-MXSMSXNCSA-N 296.414 3.842 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1ncccn1 841620534 ZXJZKMNCIYEZTJ-CYBMUJFWSA-N 282.391 3.675 30 20 CHED C[C@H](CN(C)C(=O)NCC1(CC#N)CC1)C1CCCCC1 599049083 SQVWGKQRBORVQU-CQSZACIVSA-N 291.439 3.538 30 20 CHED CO[C@H](CN[C@H](CCC#N)c1ccccc1)C1CCCC1 595422423 XSTRZCUIWKDWSB-QZTJIDSGSA-N 286.419 3.826 30 20 CHED Fc1c(Cl)cccc1NN=Cc1ccc(Cl)nc1 748785606 IJMPYFXMQLYHQW-UHFFFAOYSA-N 284.121 3.974 30 20 CHED COc1cccc(NC(=S)NN=CC2CCCCC2)c1 916298370 ITZDGTHSNDACJT-UHFFFAOYSA-N 291.420 3.548 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)CCC(C)(C)C 592239066 DEFVNJNZQBVGNN-UHFFFAOYSA-N 273.380 3.767 30 20 CHED Cc1ncsc1C=NNc1cccc(Br)c1 743433994 PTHICKPHBOKDQM-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C=C[C@H](C)ONC(=O)CCc1c(Cl)cccc1Cl 848245117 ICWYFOYSQKRBQT-VIFPVBQESA-N 288.174 3.548 30 20 CHED C=C(C)CNC(=S)NCc1ccc(Cl)c(Cl)c1 849295331 UTZNCZCHSPTLGP-UHFFFAOYSA-N 289.231 3.534 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]1c1ncon1 848111958 PRHIWBOQTIYYFR-AWEZNQCLSA-N 293.411 3.874 30 20 CHED C=CCN(C(=O)NCCCC1CCCC1)C(C)C 918069225 QQXOCFLJWBZJDM-UHFFFAOYSA-N 252.402 3.563 30 20 CHED N#C[C@H](CO)Cc1cccc(-c2cccc3c2CCC3)c1 596638069 FSROUQPHABZPEF-OAHLLOKOSA-N 277.367 3.517 30 20 CHED CCCC(=NNc1ccc(Cl)nn1)[C@H]1CC1(C)C 841605661 RXRNPVWPZUOSRN-SECBINFHSA-N 266.776 3.744 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](C)Cc2ccsc2)c1 918711901 BHLPNGAZRUTIKD-NJPLLEPOSA-N 289.400 3.903 30 20 CHED C=C[C@H](C)ONC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 846545231 FNULQYVXQNBHSL-JSGCOSHPSA-N 290.407 3.687 30 20 CHED Clc1cccc([C@H]2CCC(=NN[C@@H]3CCCOC3)C2)c1 841637844 LANQKVGWWSSOIV-XJKSGUPXSA-N 292.810 3.732 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)C2CCCCC2)cc1F 849243045 FFKCHGXBPINXQI-CSKARUKUSA-N 290.334 3.775 30 20 CHED N#CC1(COc2cccc(C(F)(F)F)n2)CCCC1 917220890 INIXBGZDAADAJW-UHFFFAOYSA-N 270.254 3.563 30 20 CHED C[C@H](C#N)OC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 745349562 WOCDQHJUGGLTCK-MKCWBWRRSA-N 284.142 3.552 30 20 CHED Cc1ccoc1C=NNc1ccccc1Br 743434821 ZQYYIPBCOUWGKG-UHFFFAOYSA-N 279.137 3.797 30 20 CHED CC1(C)CCCN(C(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)[C@@H]1C#N 597568185 NBFQJPZNCJUTPG-QXSJWSMHSA-N 288.435 3.744 30 20 CHED COc1ccc(/C=C2\Oc3ccccc3C2=O)cc1Cl 742436825 OCRNKGYCEWYWSA-DHDCSXOGSA-N 286.714 3.965 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(Oc2ccccc2)cn1 685045997 AYFGKPZISQZOBU-UHFFFAOYSA-N 282.343 3.522 30 20 CHED CC/C(=C\C(=O)N(CC)C[C@H](C)C#N)c1ccc(C)cc1 741671675 NNOMXXBYDSHHEC-YLQKULKDSA-N 284.403 3.797 30 20 CHED CC#CCOC(=O)C1(c2cccc(C)c2)CCCCC1 744792689 GAKXFLUPNUHKBA-UHFFFAOYSA-N 270.372 3.763 30 20 CHED C#CCCCCCC(=O)O[C@@H](C)C(=O)c1cccc(F)c1 840424609 RDRHUMQBIMPTBA-ZDUSSCGKSA-N 290.334 3.524 30 20 CHED C=C(C)CN1CCC(NC(=O)CCCC[C@H](C)CC)CC1 680190065 MHVHXVOYANYBGQ-MRXNPFEDSA-N 294.483 3.750 30 20 CHED CCCCCC[C@@](C)(CCC)C(=O)N(C)CC#N 742601530 LSWDJGQRMZNFHC-OAHLLOKOSA-N 252.402 3.745 30 20 CHED C=CCCC(=NNc1ccc(Br)nc1)C1CC1 747750664 WNMBDWNUTNEGGC-UHFFFAOYSA-N 294.196 3.988 30 20 CHED CCN(CCO)N=C(C)c1cc2c(ccc3ccccc32)o1 842534691 VRCMTIPDLQBZRW-UHFFFAOYSA-N 296.370 3.624 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2nc(Cl)c(C#N)s2)CC[C@H]1C 841223103 GAEMADKAFDTEPM-HRDYMLBCSA-N 297.811 3.679 30 20 CHED C[C@@H](OC(=O)c1cccc2cc[nH]c12)c1cccc(C#N)c1 744099861 CXEZXDOBTRKUSV-GFCCVEGCSA-N 290.322 3.958 30 20 CHED CCOc1ccc(/C=N\CCCc2ccccc2)c(O)c1 920943501 ZFBDMXQAGIYVOP-RGEXLXHISA-N 283.371 3.843 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1coc2ccccc12 747745234 ZIIMXVVISARALG-UHFFFAOYSA-N 286.722 3.712 30 20 CHED C=C(C)[C@@H](CO)N1C[C@H](c2ccccc2)c2ccccc21 683528210 YPOROLWUAAMQNP-IEBWSBKVSA-N 279.383 3.576 30 20 CHED CCOc1ccc(C/N=C/c2ccc(OCC)cc2O)cc1 920388128 ZCTOPYNHCGSUKS-CPNJWEJPSA-N 299.370 3.809 30 20 CHED CC(C)(C#N)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 920041344 TUKIUMPAGSMONV-STQMWFEESA-N 264.413 3.505 30 20 CHED C=CC[C@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccncc1 750642465 NSTUOQIEAOQXBU-LSDHHAIUSA-N 287.407 3.577 30 20 CHED C=CCc1cc(CN2CCC[C@H](CC)C2)c(O)c(OC)c1 754726012 KSYOYTPSSAIFJG-AWEZNQCLSA-N 289.419 3.751 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 755378342 ZVALTBQVLSNOHF-SWLSCSKDSA-N 272.392 3.868 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1cc(F)ccc1[N+](=O)[O-] 752875536 QLSHAVNXBNTEFG-BAQGIRSFSA-N 289.237 3.769 30 20 CHED C#CC[C@@H](Nc1nc(CC)cs1)c1ccccc1 756957571 VNDDZVBSYKMIMV-CQSZACIVSA-N 256.374 3.882 30 20 CHED Cc1cccc2c1CCN([C@H](C#N)c1ccccc1)C2 851753174 SWOZDXBTGYNDQL-GOSISDBHSA-N 262.356 3.618 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H](c1ccccc1)N1CCCC1 924534461 WVTKETWBCSQZQS-SJLPKXTDSA-N 299.462 3.741 30 20 CHED Cc1cccc2c1[C@@H](NCc1ccc(C#N)cc1)CC2 924699203 ISGCEDRXPGPVNM-KRWDZBQOSA-N 262.356 3.644 30 20 CHED N#CC1(C(=O)OCc2cccc(Cl)c2)CCCCC1 920119633 YPVWMYPEXPNGCW-UHFFFAOYSA-N 277.751 3.857 30 20 CHED C[C@H](NN=C1CCOc2ccccc21)c1ccccc1 920385977 MIWOODPKSWIIHV-ZDUSSCGKSA-N 266.344 3.524 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC[C@@H]1CC1(Cl)Cl 920401942 HCCZSPPTAZWVFR-NSHDSACASA-N 299.201 3.951 30 20 CHED CCCCc1ccc(C(C)=NNC2CCOCC2)cc1 757592803 YZYDEAHEUPGIJV-UHFFFAOYSA-N 274.408 3.522 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1csc2ccccc12 751909595 BWBBOEAMUBAIHO-JTQLQIEISA-N 295.367 3.592 30 20 CHED C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(F)c1 758695182 DEEDONGKJRVBDZ-GFCCVEGCSA-N 283.302 3.810 30 20 CHED Cc1ccc2c(c1)C(=NO[C@H]1CCCCO1)CCC2 755822781 OEBBOFDYCZUISY-INIZCTEOSA-N 259.349 3.579 30 20 CHED CCCCCCCNC(=O)Nc1ccc(NC)cc1 859735064 LFWMPIFJFHPWDE-UHFFFAOYSA-N 263.385 3.820 30 20 CHED CSc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851214368 YXCZDJIJKUCISE-LLVKDONJSA-N 277.389 3.894 30 20 CHED C=C[C@H](CC(=O)N(OC)C1CCCC1)c1ccccc1 757657495 MAEZYDQAXZYFLG-CQSZACIVSA-N 273.376 3.679 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(F)c(NC(=O)OC)c1 931722629 FPOQOACNQBNWMI-SNVBAGLBSA-N 294.326 3.545 30 20 CHED Cc1ccc2occ(CC(=O)N(CCC#N)CC(C)C)c2c1 858826789 OTRYVYCXPJTVFE-UHFFFAOYSA-N 298.386 3.682 30 20 CHED C=C(C)CNC(=S)N[C@@H](CCC)c1ccc(F)cc1F 758444891 FQBKLNRHLWQJFY-AWEZNQCLSA-N 298.402 3.846 30 20 CHED CCCOc1ccc(NCC2(CC#N)CC2)cc1F 863364571 QMXHKJQJNKWUIW-UHFFFAOYSA-N 262.328 3.720 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1N[C@H](C)COC 935790232 SCQHGGZSUOQPNK-ZIAGYGMSSA-N 290.407 3.674 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cccc2ccsc12 768012913 MIKCLTAORSFKOZ-GFCCVEGCSA-N 273.357 3.996 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1ccc(F)cc1C 769822358 ZYPRVUWQSLUSSA-UHFFFAOYSA-N 281.334 3.520 30 20 CHED C#CC[C@@H](NCc1cccc(OC)c1C)c1ccccc1 930219808 MMVGIHHESFXKJW-GOSISDBHSA-N 279.383 3.858 30 20 CHED CC(C)C(=O)N1CCC(=NOCC2CCCCCC2)CC1 766398001 NATTXRJWZKJGCW-UHFFFAOYSA-N 294.439 3.608 30 20 CHED CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNc1ccccc1 769566042 CBOJKPACNMQIER-GFCCVEGCSA-N 291.395 3.778 30 20 CHED COc1ccc(C#N)cc1CN1CCc2cc(Cl)ccc21 864027421 CSZHJWYOBQZIPL-UHFFFAOYSA-N 298.773 3.783 30 20 CHED Cc1ccc2occ(CC(=O)O[C@H](C#N)C(C)(C)C)c2c1 860647449 YVZZVQPCPTWWTN-OAHLLOKOSA-N 285.343 3.765 30 20 CHED CCc1ccnc(C(=O)OCCCCC(C)(C)C#N)c1 768836414 RQMWLQDESJMUFP-UHFFFAOYSA-N 274.364 3.521 30 20 CHED C=CCCCOC(=O)/C=C/c1ccc2[nH]ccc2c1 765956562 AUYKBTJKSARATR-SOFGYWHQSA-N 255.317 3.691 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)[C@@H]1C[C@]12CCCc1ccccc12 765630173 SOBDCWLHHVIQBQ-BXWFABGCSA-N 297.398 3.762 30 20 CHED CC(CCCC(C)C)=NNc1nccnc1Cl 764692153 LKDCMSJZJBUCEM-UHFFFAOYSA-N 254.765 3.744 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CC(C)(C)c1ccc(F)cc1 865077336 GFSVQXSSJCLKCZ-QGZVFWFLSA-N 290.382 3.548 30 20 CHED CCC(=NOCC(F)(F)F)c1ccc(OC(F)F)cc1 764845379 WHJIUHIPIIHKCZ-UHFFFAOYSA-N 297.223 3.981 30 20 CHED Cc1cc(/C=C/c2ncc(/C=C/C(=O)O)s2)ccc1C#N 766491360 OHDDGARLYQCAPU-SNCPXTGUSA-N 296.351 3.591 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1C#N 766483896 HRNGXONAFATPCY-OQFOIZHKSA-N 265.287 3.902 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Br)cc1C 55115804 MIJLIDOMIPSUKO-UHFFFAOYSA-N 296.208 3.796 30 20 CHED C=CCOc1ccc(Cc2nnc([C@@H](C)CC)o2)cc1 1118429812 JIHKANVMGVKNRZ-LBPRGKRZSA-N 272.348 3.739 30 20 CHED Cc1cccc(O)c1CN[C@H]1CCCc2cc(C#N)ccc21 877594608 WKZUVIGJFKGNSA-SFHVURJKSA-N 292.382 3.740 30 20 CHED C=CC1CCN(C(=O)C(F)(F)c2ccc(C)cc2)CC1 779932053 WQGAVMNEBGVJDW-UHFFFAOYSA-N 279.330 3.511 30 20 CHED Cn1cnc(/C=C2/C(=O)c3ccccc3SC2(C)C)c1 871670923 FYEMEOHOCFZGQO-JYRVWZFOSA-N 284.384 3.571 30 20 CHED C#CC[C@@H](NCCc1ccc(OC)cc1)c1ccccc1 775399883 VPAYSGSVJOBEAZ-LJQANCHMSA-N 279.383 3.592 30 20 CHED COC[C@@H](C)NN=Cc1ccc(-c2ccccc2F)s1 777902112 HJABFNHKZMJQFP-LLVKDONJSA-N 292.379 3.513 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccccc1 772191512 RVYWJJYYBRMEII-YJBOKZPZSA-N 277.367 3.671 30 20 CHED CC(=NNc1ccccc1OC(F)(F)F)c1ccc[nH]1 777454048 WAFOHZODHNQWHL-UHFFFAOYSA-N 283.253 3.749 30 20 CHED C[C@H]1CCC[C@@H](COC(=O)c2cc(C#N)cs2)C1 770996096 CTJGHFSOOCTAHG-WDEREUQCSA-N 263.362 3.603 30 20 CHED COc1cc(Cl)ccc1NC[C@H](C)CCC#N 877417299 OTEFVUKFLUSOIO-SNVBAGLBSA-N 252.745 3.700 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccsc1Cl 773148875 IFJICFZJPXFBBG-WDZFZDKYSA-N 286.743 3.766 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1 879179144 UODDJSKYJQKDAF-UHFFFAOYSA-N 297.402 3.637 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)cc1 772804725 XKQPCIQTYIYTLS-RMKNXTFCSA-N 281.286 3.602 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](COc2ccccc2)C1 879423542 HNQDQVLWQGFHHQ-HNNXBMFYSA-N 287.403 3.516 30 20 CHED CCOCCON=Cc1ccc(-c2ccc(C)cc2)o1 774431880 FJHNIWKWLOWWEN-UHFFFAOYSA-N 273.332 3.642 30 20 CHED CC#CCCCc1nnc(-c2cccc(OC(F)F)c2)o1 1118432376 FWRMKKVUCZFPKV-UHFFFAOYSA-N 292.285 3.684 30 20 CHED C#CCCCCCC(=O)Nc1nc2ccsc2s1 779950303 KVGOXICOGWKBTH-UHFFFAOYSA-N 278.402 3.880 30 20 CHED C#CCCCOC(=O)c1ccccc1SCC=C 777075382 FNBYASPCENEXST-UHFFFAOYSA-N 260.358 3.535 30 20 CHED CC(C)(C#N)CCOC(=O)c1cncc(-c2ccccc2)c1 776397593 PNWVOQYKLNEEMR-UHFFFAOYSA-N 294.354 3.845 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c([N+](=O)[O-])ccc(C)c1C 889874162 YFKGFTDJNYCCRG-GFCCVEGCSA-N 290.363 3.686 30 20 CHED Cc1cc(C(=O)OCCC(C)(C)C#N)c2ccccc2n1 776355458 CGDYUYRITYRZMO-UHFFFAOYSA-N 282.343 3.640 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(Cl)cn1 774310597 PVSOZSLBGZLTJZ-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)cn1 774393379 LMYSPXUAUJAVIK-UHFFFAOYSA-N 299.683 3.988 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=Nn1c(C)nc2ccccc2c1=O 773186752 JTHSUUPAIRLJIF-XJKSGUPXSA-N 295.386 3.531 30 20 CHED Nc1c(Cl)cc(C(=O)/C=C/c2cncs2)cc1Cl 773162735 XFEAVCBRICNVCA-OWOJBTEDSA-N 299.182 3.928 30 20 CHED C[C@@H]1CC(=NNc2cc(Cl)ccn2)C[C@H](C)C1 777906406 AGGVZPMPTFXJSP-AOOOYVTPSA-N 251.761 3.959 30 20 CHED C=C(C)CCC(=O)O[C@@H](c1ncccn1)C1CCCC1 1122798715 URZYDEUADWZRRD-OAHLLOKOSA-N 274.364 3.607 30 20 CHED Cc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1F 776363414 HILLHHSUUAYRDT-OAHLLOKOSA-N 275.323 3.763 30 20 CHED Cc1ccc(F)cc1C=NNc1ccc(C(F)(F)F)cn1 777877654 NRBGBVFBTMAJTR-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H](c1ccccc1)c1ccncc1 786362282 LOMLIANJJXQFMQ-KRWDZBQOSA-N 294.354 3.654 30 20 CHED CC(=NNc1ncncc1Cl)[C@@H](C)c1ccccc1 780274971 HPJPERVKBWVXHU-SNVBAGLBSA-N 274.755 3.722 30 20 CHED C=C(CC)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 1123927890 FSXXPGVLXNZYNJ-UHFFFAOYSA-N 298.411 3.661 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C(=C\C)CC 788764605 COCLMBBZTQCRFV-BNCCVWRVSA-N 257.377 3.600 30 20 CHED C=CCC(=NNc1ccnc(F)c1)c1ccc(F)cc1 781134176 UZTRYZUDDBZSIW-UHFFFAOYSA-N 273.286 3.752 30 20 CHED CO[C@H]1Cc2ccc(Nc3cccc(F)c3C#N)cc2C1 784191183 ISFOCAJHCZXZJE-AWEZNQCLSA-N 282.318 3.555 30 20 CHED CC1CC(C#N)(c2cccc(Br)c2)C1 70068583 INSINJLJNPERGS-UHFFFAOYSA-N 250.139 3.640 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cc(N2CCNC2=O)ccc1C 786977460 SCVRLVJOPBRLTO-OCCSQVGLSA-N 287.407 3.537 30 20 CHED COc1ccc(O)c(/C=N\C[C@H](SC)C(C)(C)C)c1 783681303 BKCAYFAONKMDDK-CIKBWMHTSA-N 281.421 3.597 30 20 CHED C=C(C)C(C)(C)c1nc(CCOCc2ccccc2)no1 896527999 RLYJWHZPHSEDRP-UHFFFAOYSA-N 286.375 3.683 30 20 CHED C=CCC[C@H](CC)Nc1cc(N2CCNC2=O)ccc1C 786974446 UQKNXPYDGOSJCI-AWEZNQCLSA-N 287.407 3.681 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)cc2Cl)s1 784189202 XZNFJDOWZOYSPV-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CC(C[C@@H](C)CC(C)C)=NN[C@H]1CCOC(C)(C)C1 780251763 DFCDPQGQMNDXTP-ZFWWWQNUSA-N 268.445 3.982 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CCCCS2)C(C)C)c1 783459783 JRKONGBJANXRLU-MRXNPFEDSA-N 287.428 3.695 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc(C)cc1C 781131768 BRABSSHAPOBVLL-UHFFFAOYSA-N 257.312 3.674 30 20 CHED C/C=C(/CC)C(=O)N(CCC#N)c1ccc(OCC)cc1 789759856 XTRBSDITHDNFSE-CPSFFCFKSA-N 286.375 3.688 30 20 CHED C#Cc1cc(F)c(NCCOc2ccccc2F)c(F)c1 787910151 LGYSZGRVYPTEDD-UHFFFAOYSA-N 291.272 3.576 30 20 CHED Cc1ccc([C@H](C)C(=O)OCCCC(C)(C)C#N)o1 783938942 MFEBSJBVOVSCGL-LBPRGKRZSA-N 263.337 3.565 30 20 CHED C#CC[C@@H](NC(=O)N1C[C@H](C)CC(C)(C)C1)c1ccccc1 784397619 OIWKNVDBRIZVRC-NVXWUHKLSA-N 298.430 3.829 30 20 CHED C=Cc1ccc(C(=O)OCc2ccc(F)cc2C#N)cc1 785625184 KNTQNHFEGQZOHS-UHFFFAOYSA-N 281.286 3.697 30 20 CHED Cc1cccnc1C=NNCc1c(Cl)cccc1Cl 793116480 CPKUCBMGBCCKBB-UHFFFAOYSA-N 294.185 3.821 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](C)c1ccccc1SC 799979538 HULMNGIDNSKQBI-CHWSQXEVSA-N 290.432 3.571 30 20 CHED Cc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)cc1C#N 799339094 IXVHQILMGXJJGA-UHFFFAOYSA-N 296.345 3.671 30 20 CHED C[C@@H](CCOCc1ccccc1)NCC(C)(C)CCC#N 389916981 NTWRNBFFRONOHV-INIZCTEOSA-N 288.435 3.901 30 20 CHED Cc1c(C#N)cccc1NC(=S)Nc1ccsc1 790316901 UBOODADZCMVUNF-UHFFFAOYSA-N 273.386 3.737 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@@H]2CCC(F)(F)C2)cc1 797586564 HEZGIZSUOQAEJT-UONOGXRCSA-N 293.357 3.785 30 20 CHED CC(=NNc1ncccc1C)c1csc(C(C)C)n1 790185554 FRVUDNXWLMTVJG-UHFFFAOYSA-N 274.393 3.806 30 20 CHED COc1ccc2cc(NC[C@@H](C#N)CCC#N)ccc2c1 795315089 CARIITFMXDNKLB-CYBMUJFWSA-N 279.343 3.704 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCCC1CCOCC1 798736735 KVLMWJDIMCZNRV-UHFFFAOYSA-N 295.423 3.847 30 20 CHED C[C@H]1C[C@H](Nc2cccc(Br)c2C#N)CS1 397843941 HLOBOKDVABYBRG-IUCAKERBSA-N 297.221 3.627 30 20 CHED CC1(C)CCc2ccccc2C(=NNc2cncnc2)C1 794979329 XJUWYBIYDDPSOM-UHFFFAOYSA-N 280.375 3.655 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCc2cc(C)ccc21 797998438 GLVMLTZCFVRVHF-SZMVWBNQSA-N 271.404 3.553 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 1134212566 UFZDMXLVSQDRIO-KSZLIROESA-N 298.430 3.796 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C[C@H](C)c1ccncc1 799443368 XODBJMKHQIIVKG-ZDUSSCGKSA-N 294.354 3.615 30 20 CHED Cc1ccc2c(C(=O)O[C@H](C#N)C3CC3)csc2c1 796745624 QIMJWRLFQDQJGY-CYBMUJFWSA-N 271.341 3.669 30 20 CHED CC[C@H](C)NN=C(C)c1ccc(Br)s1 790183497 SYCTVDGSVHRNIM-ZETCQYMHSA-N 275.215 3.623 30 20 CHED COc1cc(C#N)ccc1COC(=O)c1ccoc1C(C)C 796392142 DOZSINRWCCGBFB-UHFFFAOYSA-N 299.326 3.640 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc(C(F)F)cc2)cc1 794445539 PVIFROJELGDFEU-UHFFFAOYSA-N 291.257 3.978 30 20 CHED C#Cc1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1 792635382 DGYJNDQLAXVJNG-UHFFFAOYSA-N 289.260 3.528 30 20 CHED Clc1cccc(Cl)c1CNN=Cc1ccco1 793117435 MGZPVSSCLDFWLM-UHFFFAOYSA-N 269.131 3.710 30 20 CHED CO[C@@H]1CCOc2c(N=Cc3ccccc3O)cccc21 790598873 QJUDRAPZXDYSQC-MRXNPFEDSA-N 283.327 3.613 30 20 CHED C[C@H](O)c1cc(NCc2ccc(C#N)cc2F)ccc1F 796518595 IZMQYGPJCZUFHH-JTQLQIEISA-N 288.297 3.502 30 20 CHED C=CCCCOC(=O)c1cccc(C(F)(F)F)c1F 750980627 VNGPDGRCGYVEHT-UHFFFAOYSA-N 276.229 3.968 30 20 CHED C#Cc1cccc(N(C)CCCCC(F)(F)F)c1 751979230 RXZFSRHCKYOYNX-UHFFFAOYSA-N 255.283 3.837 30 20 CHED C#Cc1cccc(N(C)C(=O)C2CCCCCCC2)c1 741559139 QVDKGZYSAMKKMC-UHFFFAOYSA-N 269.388 3.991 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@](C)(C#N)C1 753165020 VBAWDWMCWBOIOB-INIZCTEOSA-N 264.413 3.889 30 20 CHED C[C@H](CC#N)N(C)C(=O)C1CC(C)(C)CC(C)(C)C1 597143426 IHCPKUZROWSXCJ-GFCCVEGCSA-N 264.413 3.599 30 20 CHED N#Cc1csc(CNc2ccc(OC(F)F)cc2)c1 93685263 AXOJLSQMXANPQG-UHFFFAOYSA-N 280.299 3.833 30 20 CHED CCc1ccc2c(c1)CCN(CCc1ccc(C#N)cc1)C2 1308171381 VLKTYMMWDSIWAN-UHFFFAOYSA-N 290.410 3.721 30 20 CHED Fc1cc(F)cc(NN=Cc2nc(-c3ccccc3)c[nH]2)c1 1318360332 XHLOKVKFOLYKNV-UHFFFAOYSA-N 298.296 3.801 30 20 CHED CC[C@@H]1CC(=NNc2ccccc2Cl)CCO1 1319247131 WONPHRJHXSFYIP-LLVKDONJSA-N 252.745 3.697 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc(N4CCCC4)cc3)nc2c1 1317899937 HHUOKRZYENZXCM-UHFFFAOYSA-N 288.354 3.702 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C/c1scnc1C)C2=O 1318852373 YEXBOFVRXCEHGZ-NJQKBMNKSA-N 285.368 3.849 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](N=c2cc[nH]cc2C#N)CC1 1612261002 BYGHSRDAARAJBY-HUUCEWRRSA-N 271.408 3.782 30 20 CHED Cc1ccc(NN=Cc2cccc3nccn23)cc1Cl 1319877383 BIJRSKDZJQACKY-UHFFFAOYSA-N 284.750 3.742 30 20 CHED N#Cc1cc(F)cc(OC/C=C/c2ccccc2)c1 227634683 VZXNRZGIFJPHRB-QPJJXVBHSA-N 253.276 3.790 30 20 CHED C[C@H]1CC/C(=C\c2nnc(COc3ccc(C#N)cc3)o2)C1 1327786500 XKYVMFDNWBEVAX-IGVUGNCQSA-N 295.342 3.724 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)c1noc(C)n1 1329851919 WNYUEYRDVRVQNZ-RYUDHWBXSA-N 253.390 3.778 30 20 CHED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2ccccc2)cs1 1325191257 KLIQFLOLHKTEJE-MRXNPFEDSA-N 296.395 3.987 30 20 CHED CC(C)c1nc(C=NNc2ccnc(Cl)c2)cs1 1327658842 KVCQSDGUKJWNOP-UHFFFAOYSA-N 280.784 3.761 30 20 CHED N#CC1(c2nnc(CCCc3ccccc3)o2)CCCCC1 1326084819 SYDHZCKVSJYTGA-UHFFFAOYSA-N 295.386 3.970 30 20 CHED C[C@H]1CCc2sc(-c3nnc(C(C)(C)C#N)o3)cc2C1 1326252677 SDEKRKYEMIMRDU-VIFPVBQESA-N 287.388 3.724 30 20 CHED C[C@]1(c2nnc(COc3ccc(C#N)cc3)o2)CC=CCC1 1327006943 ODHXOGOKYCKLGX-KRWDZBQOSA-N 295.342 3.518 30 20 CHED C=CCN(CCc1ccco1)Cc1ncoc1C(C)C 1325029181 QYLVWQKXZKKIIY-UHFFFAOYSA-N 274.364 3.622 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1c(C)nc2sccn12 1320873803 HDNRFMJNSNXDLU-LBPRGKRZSA-N 290.436 3.597 30 20 CHED C=C[C@@H](C)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1332226936 VTIVAPDLFLUEAC-XRVBUDJMSA-N 270.159 3.697 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(c2cccc(C#N)c2)C2CCC2)C1 1331452774 JOKAYQXXSDDSAX-UKRRQHHQSA-N 282.387 3.880 30 20 CHED C=C(C)CCC(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 1342650243 SARINZCBPLQKQV-UHFFFAOYSA-N 298.342 3.876 30 20 CHED N#CCc1cccc(N[C@@H]2CCSc3c(F)cccc32)n1 1342842263 LNDPRTHWHAEFRT-CQSZACIVSA-N 299.374 3.936 30 20 CHED C=C(CC)C(=O)N(CCc1ccccc1)Cc1ccncc1 1346385889 FATCSEJOCAYRMJ-UHFFFAOYSA-N 294.398 3.619 30 20 CHED Cc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1F 1352951623 JNSPWTBTALIPFH-CYBMUJFWSA-N 296.345 3.823 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C2(C(C)(F)F)CC2)n1 1357690471 WVVLGAAGTCXCMN-SECBINFHSA-N 298.358 3.878 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCCC[C@H]1CCCCC1=O 1515257406 SRYPGLGHKUGJNJ-OAHLLOKOSA-N 299.370 3.563 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C)nc1Cl 1518795524 AXCCUBMPIPPWSA-UHFFFAOYSA-N 252.745 3.584 30 20 CHED N#Cc1nc(NCCc2cc(F)cc(F)c2)sc1Cl 1458163844 RNQQMTNJMCXGQT-UHFFFAOYSA-N 299.733 3.601 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)cc1C#N 1528238515 CYZBLIFVFTZWGE-HOTGVXAUSA-N 284.403 3.811 30 20 CHED Cc1ccc(COC(=O)c2ccc(C#N)cc2F)cc1F 1521218031 QPVVGIZEMQFDJQ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)cc1F 1525584144 ITNVOBPHPIEBNE-CJNGLKHVSA-N 288.366 3.738 30 20 CHED N#Cc1cc(F)c(NCc2cccc(F)c2)c(F)c1 111143173 SRQAHDJTGFDFDD-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)[C@H]1CC1(C)C 1460262205 IFLXKZCXXCIKBO-HZPDHXFCSA-N 256.393 3.515 30 20 CHED C=C(Cl)CNC1(c2ccc(F)cc2F)CCC1 1473325052 OHMZVGUQAFRACQ-UHFFFAOYSA-N 257.711 3.686 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1csc(C)c1C 1460131293 PETVQCKXOZCWGW-UHFFFAOYSA-N 298.367 3.692 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 1460793429 CTPUFRUNVIKDRF-KBUPBQIOSA-N 263.381 3.828 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cc(C(=O)O)co1 1602842530 JJHZNZCSSFPGRR-CZUORRHYSA-N 299.370 3.816 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1csc(C#N)c1 1544069090 HDXTVHXREXQZME-LBPRGKRZSA-N 278.421 3.956 30 20 CHED Cc1cc(Sc2c(F)cc(F)cc2F)ncc1C#N 1611839815 LMBPIWKQNDYBMD-UHFFFAOYSA-N 280.274 3.830 30 20 CHED C[C@@H]1C[C@@H](OC(=O)c2cccc(C#N)c2)CC(C)(C)C1 1587192973 VSRXSNGOMGDIEP-IUODEOHRSA-N 271.360 3.930 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc2oc(C(=O)O)cc2c1 1588691342 YNEDDALOEDPRSC-SNVBAGLBSA-N 287.315 3.672 30 20 CHED CC(C)[C@@H]1CN(c2nc(C#N)c(Cl)s2)[C@@H]1C(C)C 1651844314 FFOFYLLZBSQMME-GXSJLCMTSA-N 283.828 3.785 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C2 1657571202 SXFOLWZNIZADHZ-JOQOYGCGSA-N 297.402 3.895 30 20 CHED CCN(Cc1cc(C#N)ccn1)c1cc(C)ccc1C 1657586909 SPZVBOVOOOPGTP-UHFFFAOYSA-N 265.360 3.597 30 20 CHED C=CCCCCCOc1ccc(C(=O)O)c(OC)c1 1588799899 ODQORFFBTAXCDH-UHFFFAOYSA-N 264.321 3.519 30 20 CHED CC[C@@H](NC(=O)Nc1scc(C)c1C#N)[C@H]1CC1(C)C 1669740132 PUFLPLBNLADBMC-VXGBXAGGSA-N 291.420 3.874 30 20 CHED Cc1cccc(C)c1CNC(=O)Nc1sccc1C#N 1672812348 HPJYAGDMWNAWGP-UHFFFAOYSA-N 285.372 3.558 30 20 CHED Cc1c(NN=C/C=C\c2cccc(F)c2)cccc1C(=O)O 1776088950 SUBVWWFMAINUIC-ACOKDQDXSA-N 298.317 3.943 30 20 CHED Cc1ccc(CNc2cc(C#N)ccn2)c(OC(C)C)c1 342477803 HSALTZKINDWBKA-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C=CCN(C)C(=O)NCC(c1ccccc1)c1ccccc1 161287245 JYVNCPINICJEQJ-UHFFFAOYSA-N 294.398 3.646 30 20 CHED Clc1cccc(C#CCN2CCc3ccccc3C2)c1 166253796 QAXVRGWNOHWJOD-UHFFFAOYSA-N 281.786 3.750 30 20 CHED C#Cc1cccc(NC(=O)c2coc(-c3ccccc3)n2)c1 151600569 HNJODHCDRSOIKF-UHFFFAOYSA-N 288.306 3.575 30 20 CHED C#Cc1cccc(NC(=O)CCc2ccc(F)cc2F)c1 154066410 SXGPMJSCEVFIPQ-UHFFFAOYSA-N 285.293 3.517 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCC[C@@H](SCC)C1)OCC 339377588 KVNWKIMDIRFFPB-KFWWJZLASA-N 299.480 3.538 30 20 CHED Cc1ccc2c(c1)CN(c1nc(Cl)c(C#N)s1)CC2 853789374 SRUNBJDVVHAQLP-UHFFFAOYSA-N 289.791 3.539 30 20 CHED C#CCCCCCCNCc1cccc(C(F)(F)F)n1 877558850 NUNOSMALGZTUPO-UHFFFAOYSA-N 284.325 3.774 30 20 CHED CCOc1ccc(NCc2cc(C#N)cs2)cc1F 135308693 YJYXLMOREDCXGS-UHFFFAOYSA-N 276.336 3.770 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 136168319 MEIQTRICJBDAEW-LBPRGKRZSA-N 270.254 3.584 30 20 CHED C[C@H]1[C@H](C)CCCN1c1nc(C(F)(F)F)ccc1C#N 252513004 HWWLJBNQJMKVRW-ZJUUUORDSA-N 283.297 3.597 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)C1CCCCC1 37228552 LVWCCVFKGFHJBU-ZDUSSCGKSA-N 258.365 3.970 30 20 CHED C[C@H](NC[C@@H]1Cc2ccccc21)c1ccc(C#N)cc1 37565358 ZIQFZZXQYGMOKC-GUYCJALGSA-N 262.356 3.549 30 20 CHED N#CC1(C(=O)NCc2ccc3sccc3c2)CCCC1 291603331 LZBMVPRQXJNKMD-UHFFFAOYSA-N 284.384 3.601 30 20 CHED COCCC[C@H](C)Nc1cccc(OCCCC#N)c1 179822292 HEUNWFVUHVJILM-AWEZNQCLSA-N 276.380 3.596 30 20 CHED Cc1cc(NCC(C)(C)c2ccccc2)cc(C#N)n1 308283006 YOYGHBBIRUZQOV-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccsc1 404669239 BSIGWTVWQZGULJ-HNNXBMFYSA-N 274.364 4.000 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 513631297 ZCQSXSGIGRPIRQ-XRRVDJEJSA-N 275.783 3.843 30 20 CHED CCN(Cc1cccc(Br)c1C)C[C@H](C)C#N 90523013 SKAGVWNHCIIBAX-LLVKDONJSA-N 295.224 3.739 30 20 CHED C=C(CC)CN1CCC2(CCN(Cc3ccccc3)CC2)C1 485495873 SUMWBEQEOIMMLU-UHFFFAOYSA-N 298.474 3.941 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1CCCC(F)(F)C1 381003088 CCEDUMSHTWJBRF-JTQLQIEISA-N 268.282 3.935 30 20 CHED C#CCN(Cc1ccccc1)Cc1cnc(C(C)C)s1 809716033 JMJPPPYHJQNXMT-UHFFFAOYSA-N 284.428 3.902 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCC(C)CC1 7010179 POBDDEVKTJHZBZ-UHFFFAOYSA-N 275.421 3.848 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccc(Cl)cc2)cn1 176771107 UKLDRFKSEYALJE-INIZCTEOSA-N 283.762 3.948 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 172060157 IOUCPRFJXMZQKV-UONOGXRCSA-N 290.407 3.799 30 20 CHED C=CCCCC(=O)N[C@@](C)(CC)c1nc(C)cs1 177889922 ZZLABPXKMALSMN-AWEZNQCLSA-N 266.410 3.549 30 20 CHED N#CCCCN[C@H](Cc1ccccc1)c1ccccc1 57620329 KCSBIXHGHYLURK-GOSISDBHSA-N 264.372 3.864 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 25325879 IBCWWHVBIHMOFG-QGZVFWFLSA-N 294.329 3.675 30 20 CHED N#Cc1cc(F)ccc1CN(C1CCCC1)C1CC1 103465915 QMKHKGRJRPNKPM-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@@H](C)c1ccncc1)c1ccccc1 119799667 LUITXGIEGOVHJF-HOTGVXAUSA-N 294.398 3.961 30 20 CHED CC1(C)CCC[C@@H](C(=O)N(CCC#N)Cc2cccnc2)C1 179367053 WTOXZRZQPSDPJA-MRXNPFEDSA-N 299.418 3.540 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2nc(C)oc2c1 104990994 QRJQNTRJGKBWTQ-UHFFFAOYSA-N 273.336 3.566 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1c(F)cccc1Cl 119953426 OALDJHFKWQPNRD-NSHDSACASA-N 281.758 3.850 30 20 CHED Cc1cc2cc(C(=O)/C=C/c3csnn3)oc2cc1C 177403798 QVCVKIOYFCKEFC-ONEGZZNKSA-N 284.340 3.797 30 20 CHED CCc1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1 63750728 JJCNZABKBNWUNY-UHFFFAOYSA-N 299.443 3.988 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 172116706 SNRSOZMOADPZED-LJQANCHMSA-N 295.357 3.615 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(CC#N)cc1 69570948 NCSTWDMRZCEHMK-LBPRGKRZSA-N 283.331 3.571 30 20 CHED CCc1ccc(N/C(N)=N/CCSc2ccccc2)cc1 303786293 RDKXWLAHVDSEGJ-UHFFFAOYSA-N 299.443 3.768 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(O[C@H](C)CC)cc1 117003252 MWGOJRKKZRNQKX-QWHCGFSZSA-N 276.380 3.950 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@@H](C)c1ccccc1 69614970 XZHNHNNGNQGRRO-CQSZACIVSA-N 293.370 3.792 30 20 CHED C/C(=C\C(=O)O[C@H](C)C(C)(C)C#N)c1ccc(F)cc1 178817178 YYXIYNRHKBNRCQ-LMMOQWNQSA-N 275.323 3.710 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1ccc(F)c(C#N)c1 179597033 XRSRXHTTYJVFJM-CVEARBPZSA-N 292.423 3.851 30 20 CHED CCc1ccc(CN(C)CCOc2ccccc2C#N)cc1 60463646 KFLRDIXGUMOFEJ-UHFFFAOYSA-N 294.398 3.631 30 20 CHED CC(C)(C#N)CC[S@@](=O)[C@H]1CCCc2ccccc21 123528151 FNOYLZXIFJAGOA-KXBFYZLASA-N 275.417 3.753 30 20 CHED C=CCCCCNC1CC(C#N)(c2ccccc2)C1 311875228 UOBNWFHTTDWDNO-UHFFFAOYSA-N 254.377 3.556 30 20 CHED CC[C@@H](C)[C@@H](C)Nc1ccc2cc(C#N)ccc2n1 301988773 WLPDFIHURCBPKW-VXGBXAGGSA-N 253.349 3.953 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)C(C)(C)C#N)CCC2 125621629 KLHYUZWIUFJXJD-MRXNPFEDSA-N 284.403 3.853 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccccc1C)C(C)C 181104462 BGCJEJGSKUQAEZ-INIZCTEOSA-N 274.408 3.910 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc2ncsc2c1 186707889 APBSABCREHJPIC-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C[C@@H](Cc1cccs1)Nc1snc(Cl)c1C#N 76678765 DHQUKVOUHGQISE-ZETCQYMHSA-N 283.809 3.773 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1 33472216 ZERYUTWRXNLWRB-ALCCZGGFSA-N 266.296 3.620 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Cc1ccc(OC)cc1 182650651 CITGCHQLPPKBIS-HUUCEWRRSA-N 289.419 3.735 30 20 CHED N#Cc1cccc(CN2CCCc3cc(F)cc(F)c32)c1 36754150 SMRCKGVQRJIAPG-UHFFFAOYSA-N 284.309 3.789 30 20 CHED C=CCC[C@H](C)N[C@H](CN)c1ccc2ccccc2c1 414935263 FPQBUSGZSXGKML-KBXCAEBGSA-N 268.404 3.784 30 20 CHED C[C@@H](C#N)CNC(=O)N(c1ccccc1)c1ccccc1 182538829 GXAJSLKUKQVZKT-AWEZNQCLSA-N 279.343 3.694 30 20 CHED C=C(C)COCCN[C@@H](C)Cc1ccccc1SC 183618503 WPQMPNAXZGFERX-AWEZNQCLSA-N 279.449 3.522 30 20 CHED C[C@H]1C[C@H](Nc2c(Cl)cccc2C#N)CS1 413519485 OMRYMKVVNFYHST-WPRPVWTQSA-N 252.770 3.518 30 20 CHED CCN(CCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C 76071653 TYRNXDKZRNYBAC-INIZCTEOSA-N 262.372 3.628 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 74294470 NKXDZDBBRDXXHC-AWEZNQCLSA-N 280.371 3.892 30 20 CHED CCC(CC)[C@H]1C[C@H](NCC(C)(C)CCC#N)CCO1 180374764 SHQABRSMRQINLP-HZPDHXFCSA-N 280.456 3.890 30 20 CHED C[C@H](CC1CCCC1)C(=O)N1CCc2cc(C#N)ccc21 416013237 MZBHFKRBMZWRLN-CYBMUJFWSA-N 282.387 3.664 30 20 CHED C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(SCC#N)c1 79528794 XLMXLQCUWUYLAA-OLZOCXBDSA-N 288.416 3.563 30 20 CHED C=C(C)CN(C)C(=O)C[C@H](C)c1ccc(CC)cc1 180436072 XUTRBUKGMPDJBH-AWEZNQCLSA-N 259.393 3.777 30 20 CHED CC1(C)CCC[C@H](NC(=O)Nc2cccc(C#N)c2)C1 443144772 HACCRMIYLJQHTI-AWEZNQCLSA-N 271.364 3.649 30 20 CHED CC[C@H](CC#N)Nc1nc(C)nc2sc3c(c12)CCC3 184153536 ZMKWUBOKOQEHER-SNVBAGLBSA-N 286.404 3.593 30 20 CHED C[C@H](SC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 419429410 UQTULYLVWNJTLM-DANNLKNASA-N 273.401 3.920 30 20 CHED Fc1c(Cl)cccc1CO/N=C1/CCCOCC1 187853605 ZTPIVCPVGPFKPY-WJDWOHSUSA-N 271.719 3.552 30 20 CHED CC(C)(C)CCSCC(=O)Nc1ccc(C#N)cc1 187560755 YPNVUBSQZWTPOS-UHFFFAOYSA-N 276.405 3.666 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1ccc(C#N)cc1F)CCO2 316705964 CQMPDTINLSKWFT-HNNXBMFYSA-N 298.317 3.642 30 20 CHED CC(C)(CCC#N)CNCCCn1ccc2ccccc21 135127225 QICQEXQZRBCVQA-UHFFFAOYSA-N 283.419 3.951 30 20 CHED CC(C)Cc1ccc(CN(CCC#N)CCC#N)cc1 132842280 QPOBYBAZRSHVFF-UHFFFAOYSA-N 269.392 3.514 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)c1ccc(CC)cc1 410124787 XQPLTXJOMGMFFD-CZUORRHYSA-N 259.393 3.823 30 20 CHED CC#CCCCC(=O)Nc1ccc(N2CCCC2)cc1C 184990169 MJFORBMOVYJEGA-UHFFFAOYSA-N 284.403 3.727 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 508478070 PNGRLDAPMDDWRQ-AWEZNQCLSA-N 290.455 3.535 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)CCc1cccc(F)c1 410823500 AIORGJNGMVXXKI-CJNGLKHVSA-N 290.382 3.545 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(-c3cccs3)c2)[nH]1 501774568 IPUINGLXTQTMIQ-UHFFFAOYSA-N 293.351 3.867 30 20 CHED Cc1nc(-c2ccccc2)oc1C(=O)OCC(C)(C)CC#N 184800416 NMWNJRJYRYQVIR-UHFFFAOYSA-N 298.342 3.747 30 20 CHED N#Cc1ccc(NC(=O)CCc2cc(Cl)cs2)cc1 134342078 NKRNQBNQRNWRHZ-UHFFFAOYSA-N 290.775 3.844 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C 501796293 PJUVBUJZVXFNRH-NWDGAFQWSA-N 294.345 3.638 30 20 CHED Cc1nc(CC/N=C(/O)C2CCC(F)(F)CC2)c(C)o1 329061084 ZFWLOYLEOUHENT-UHFFFAOYSA-N 286.322 3.616 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)cs1)c1cccc(F)c1 83939676 BOQZMZGFRMYXLS-SECBINFHSA-N 275.304 3.677 30 20 CHED COc1nn(C)cc1N=C(O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 329092479 JWWOZZCDBFXBQE-FRRDWIJNSA-N 291.395 3.623 30 20 CHED Cc1ncsc1C/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1(C)C 329947303 YIZSIFMVJWUELF-ONGXEEELSA-N 294.420 3.549 30 20 CHED N#Cc1c(F)cccc1SCCOC1CCCC1 515339740 SJZLIBLJNUJMPA-UHFFFAOYSA-N 265.353 3.749 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC(c2cccc(Cl)c2)C1 425311569 IRGJHRZRRUHZPM-UHFFFAOYSA-N 277.795 3.868 30 20 CHED CC1(C)CC[C@@H](Nc2cncc(C#N)n2)c2ccccc21 420583355 KSKVGJIENQGEQO-OAHLLOKOSA-N 278.359 3.573 30 20 CHED COCCOc1ccccc1/C=C/C(=O)c1cccs1 83522473 NSHYILTVFIFRJG-CMDGGOBGSA-N 288.368 3.669 30 20 CHED CCN(Cc1ccc(C#N)cc1F)[C@@H](C)c1cccc(O)c1 80933264 FYKINMKSMIPWFB-ZDUSSCGKSA-N 298.361 3.986 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 425634069 VOHUNJFYOYQAGV-BYNSBNAKSA-N 291.439 3.535 30 20 CHED C=C(CNC(=O)N1CCCC[C@H](C)C1)c1ccccc1 512659030 CBCSDSUDDNVVGO-AWEZNQCLSA-N 272.392 3.531 30 20 CHED C=CC1CCN(c2nc(C3CCCC3)ns2)CC1 420602843 ORBFTAFZJPSSEW-UHFFFAOYSA-N 263.410 3.598 30 20 CHED C=CCCO[C@@H](C)C(=O)NC(C)(C)c1ccc(CC)cc1 81701854 LZJAFEUEOBSQFI-AWEZNQCLSA-N 289.419 3.582 30 20 CHED Cc1ccnc(NC[C@@]2(C)C[C@@H]2c2ccccc2)c1C#N 338741143 NLCGQORMFFDVTH-SJLPKXTDSA-N 277.371 3.867 30 20 CHED CCCC(=CC(=O)N(CC#N)C1CCCC1)CCC 92411367 PLDBAEMHXIYZPS-UHFFFAOYSA-N 262.397 3.808 30 20 CHED Cc1cc(C)c(CCNCc2cccc(C#N)c2)c(C)c1 237811617 TWNWJJVFPZEXCW-UHFFFAOYSA-N 278.399 3.816 30 20 CHED CC[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 47873459 NMCOOUYAUAECOT-CHWSQXEVSA-N 273.336 3.847 30 20 CHED CCCc1nc(/C(O)=N/[C@@H]2CCC[C@H](SCC)C2)co1 330417621 OODINMRTGOZHBS-NEPJUHHUSA-N 296.436 3.996 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CC[C@H](C#N)C1 339193521 GZFMHMZTILTKAC-DOTOQJQBSA-N 286.423 3.534 30 20 CHED C[C@H](C#N)C(=O)N[C@H](CC1CCCC1)c1ccccc1 337632107 WETWJFWWLQHGAP-CZUORRHYSA-N 270.376 3.584 30 20 CHED C=C(C)COCCN[C@H]1CCC[C@H]1c1ccc(F)cc1 90451457 VHOCFGYEUMDVQX-IRXDYDNUSA-N 277.383 3.644 30 20 CHED N#Cc1ccc(CN2C[C@H]3CC[C@H]2c2ccccc23)cc1 338590023 WBBQBNSTVSOCRC-APWZRJJASA-N 274.367 3.993 30 20 CHED C=CCCCCNC(=O)N(C)[C@H](C)C1CCCCC1 511864779 LVNWRLQRVLPQFY-CQSZACIVSA-N 266.429 3.953 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1C 148888638 MLHMMPXYMTTWIY-YHYXMXQVSA-N 268.312 3.605 30 20 CHED C[C@H](CC1CCCCC1)/N=C(/O)c1cn(C(C)(C)C)nn1 330982257 JYOGITPCIDTBHZ-GFCCVEGCSA-N 292.427 3.697 30 20 CHED CC1CC(C#N)(C(=O)NC[C@H](Cc2ccccc2)C(C)C)C1 526065759 XBCCJZBDLDDIQD-RMXPPQQLSA-N 298.430 3.557 30 20 CHED CCCC[C@H](NCC1(C#N)CC1)c1ccc(OC)cc1 343562347 KFRFJUMXJRWOSX-INIZCTEOSA-N 272.392 3.820 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1CC12CCCCC2 432360920 BXTTVYDEVCZOOE-CYBMUJFWSA-N 264.413 3.611 30 20 CHED C=CCCN(C)Cc1ccc(OC)c(OCC(=C)C)c1 343491633 NVDBVKKPTGLPLZ-UHFFFAOYSA-N 275.392 3.658 30 20 CHED Cc1cc(Cl)c2c(c1)[C@@H](NCCCC#N)CCCO2 346804326 HDYHVLOOVRXYME-AWEZNQCLSA-N 278.783 3.756 30 20 CHED CCc1cc(C(=O)N(C2CC2)C2(C#N)CCC2)sc1C 341621460 STHHXRPKVHYIOD-UHFFFAOYSA-N 288.416 3.670 30 20 CHED CCOC1(CN[C@@H](C)c2cccc(C#N)c2)CCCC1 293730137 OIBMHSPMGQHJBX-AWEZNQCLSA-N 272.392 3.558 30 20 CHED CC(=O)Nc1ccc(NCc2ccc(C#N)cc2)c(Cl)c1 340617427 ULBJNFKRJGAAGF-UHFFFAOYSA-N 299.761 3.782 30 20 CHED CCCCOC1CCN(c2ccc(C#N)c(Cl)c2)CC1 439355540 JGORZNSDJNOQHV-UHFFFAOYSA-N 292.810 3.997 30 20 CHED CC(C)(C#N)CCSCCOc1ccc(C#N)cc1 341973068 SWEKJPFKOVOSAB-UHFFFAOYSA-N 274.389 3.610 30 20 CHED C=CCCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 606897000 BNWHKMOOUUQCBO-IUCAKERBSA-N 275.236 3.625 30 20 CHED C=CCSCCN[C@H](C)c1ccc(OC(F)F)cc1 180455148 QMXCHJZCMQSVFS-LLVKDONJSA-N 287.375 3.858 30 20 CHED CCc1ccc(CSc2ccc(C#N)cn2)cc1 609750524 RZDPLDHUMDWPTA-UHFFFAOYSA-N 254.358 3.808 30 20 CHED Cc1ccc(C#N)c(NCc2cc3c(s2)CCCC3)n1 535749009 MDJQSVDTZQLQLN-UHFFFAOYSA-N 283.400 3.814 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC(F)(F)C[C@@H]1C 529032656 VZVXWZISXYTGOD-JTQLQIEISA-N 293.317 3.518 30 20 CHED Oc1ccccc1/C=N\CCSc1ccccc1 255412093 LBIAHMWQJBJTSG-VBKFSLOCSA-N 257.358 3.603 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)CCc1ccc(F)cc1F 348259220 DJURXFPCHDPEQY-FZMZJTMJSA-N 266.335 3.568 30 20 CHED CCc1cnc(S[C@H](C#N)CCc2ccccc2)[nH]1 601079685 BILZPXNRGWADNP-AWEZNQCLSA-N 271.389 3.589 30 20 CHED Cc1ccnc(N(C)[C@@H](C)c2cc(F)ccc2F)c1C#N 343512840 OOMJPJAAALKCNC-NSHDSACASA-N 287.313 3.737 30 20 CHED Cc1cccc(C(=O)/C=C\c2nccn2CC(F)(F)F)c1 255914171 UHCQSPSFOXSUCK-WAYWQWQTSA-N 294.276 3.650 30 20 CHED C=CCCC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 602579371 AEWSXTYYSHNDRK-NSHDSACASA-N 289.335 3.570 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)CC(C)(C)COC 348872287 CBSGRISGWRAHOR-UHFFFAOYSA-N 293.455 3.515 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnc(CC(C)C)nc1 349016197 VSJLHLXIVGERSS-ZDUSSCGKSA-N 290.411 3.541 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 608816368 CKUOHAZNJHRGOF-AWEZNQCLSA-N 297.402 3.887 30 20 CHED Cc1cccc(C2=CCN(Cc3cccc(C#N)n3)CC2)c1 602603777 FDRZHVUSBTYNBD-UHFFFAOYSA-N 289.382 3.551 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)/C=C\c2ccco2)n1 255480374 HOIZJSZGSYHWQA-FOQNGQEVSA-N 286.356 3.749 30 20 CHED CCOc1ccc(OC)cc1N[C@H](C#N)Cc1ccccc1 609221766 WQTZGGOGVOTPEU-HNNXBMFYSA-N 296.370 3.641 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H](c2ccccc2)C1 602670922 SDJUWQBUPQZOJK-DOTOQJQBSA-N 256.393 3.806 30 20 CHED CC1(C#N)CCC(NCCOc2ccc(Cl)cc2)CC1 449064338 POJKQGMAXFTNAH-UHFFFAOYSA-N 292.810 3.781 30 20 CHED Cc1cc(CN[C@H](CCC#N)c2ccccc2)sn1 602580016 DESUANGMICQULF-OAHLLOKOSA-N 271.389 3.586 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(Oc2ccccc2)o1 359447786 SXYPKFCEUIZSAL-UHFFFAOYSA-N 296.326 3.614 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 609431671 SUVWHHVADVJPBA-QJPTWQEYSA-N 274.389 3.675 30 20 CHED C=CC1CCN(C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F)CC1 446290401 XYSCXYVJQLTWRX-JQWIXIFHSA-N 292.345 3.571 30 20 CHED Cc1csc(-c2ccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)cc2)n1 448858911 COGSIXDHOFEPMT-MGPLVRAMSA-N 297.383 3.607 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H](c1cccs1)n1cccc1 353790348 VQMLCFLMHFGFMF-KBPBESRZSA-N 288.416 3.610 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCSc2ccccc21 602506517 YNBVKCNQJPWLQK-JSGCOSHPSA-N 260.406 3.753 30 20 CHED N#Cc1cccc(N2CCC(=Cc3ccccc3F)CC2)n1 532054698 PRWBFBKXXRTNRZ-UHFFFAOYSA-N 293.345 3.776 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)cc1 264851897 LTEDDFMRXPOPEW-HNNXBMFYSA-N 299.418 3.880 30 20 CHED CO[C@H](c1ccccc1Cl)[C@@H](C)NCCCCC#N 351196383 BPBDQZDSSSWYTL-DOMZBBRYSA-N 280.799 3.699 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@](C)(CC)C1 537268139 OBESVHZKWSTCAT-ZBFHGGJFSA-N 266.429 3.953 30 20 CHED CC(C)(C#N)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 612585402 AUESFQMSOIMMRS-MRXNPFEDSA-N 272.367 3.901 30 20 CHED Cc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1C 618742378 XKWKDNSGSKUKTL-IBGZPJMESA-N 276.383 3.952 30 20 CHED C=CCCO[C@H](C)c1nc(C2(CC)CCCC2)no1 445779466 CXYIKYYBIGHMNL-GFCCVEGCSA-N 264.369 3.945 30 20 CHED C=C1CCN([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 533282134 RNRFIYLCQREJGV-CYBMUJFWSA-N 292.810 3.627 30 20 CHED C=CCC1(NC(=O)c2ccc(OC)cc2Cl)CCCC1 619104606 QDHHHDGXMYBGRV-UHFFFAOYSA-N 293.794 3.967 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccn(C(C)C)c1C 351624994 RINAOUWNXUWAJH-AWEZNQCLSA-N 260.381 3.558 30 20 CHED C=CCN(CCC#N)Cc1cc(OC)c2ccccc2c1 449336016 LMYMVAIPQVUAEV-UHFFFAOYSA-N 280.371 3.750 30 20 CHED N#CCN(CCOc1cccc2ccccc12)C1CCCC1 610003146 LKLWTGFBPWQFFD-UHFFFAOYSA-N 294.398 3.987 30 20 CHED Cc1ccc(SC[C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 442842461 IFMDYECBEHSZON-SOUVJXGZSA-N 274.433 3.758 30 20 CHED C=CCN(C(=O)[C@H]1CCCCCC(=O)C1)c1ccccc1 615002951 UDZBYYDEBLKJCT-HNNXBMFYSA-N 285.387 3.745 30 20 CHED C[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 610726195 JCDPLPCKGZIZHD-HZSPNIEDSA-N 270.376 3.562 30 20 CHED CC(C)CN(C(=O)Nc1ccc(C#N)cc1Cl)C1CC1 269156905 SIFAFYHQRWFZNB-UHFFFAOYSA-N 291.782 3.864 30 20 CHED Cc1cccc2c(N(C)CC(C)C)c(C#N)cnc12 610274581 KDYZWYLZNZLOHQ-UHFFFAOYSA-N 253.349 3.507 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)C1CCCC1 610520783 UITOEPYVTQOJFL-OAHLLOKOSA-N 296.414 3.899 30 20 CHED COc1cccc([C@H]2C[C@@H](C)CN2c2cc(C#N)ccn2)c1 367269769 IRCNPWZXMHCWCI-CXAGYDPISA-N 293.370 3.549 30 20 CHED Cc1c(C#N)c(N2[C@H]3CCC[C@H]2CC3)nc2ccccc12 450382626 WVGLUGWWSIFAIF-KBPBESRZSA-N 277.371 3.936 30 20 CHED C=C(CC)CSCCOc1ccccc1C(=O)OC 541076462 NHSYOBRVSJIFPE-UHFFFAOYSA-N 280.389 3.551 30 20 CHED C=CCCCN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273420736 JQKOLJLCBHYDQU-IRXDYDNUSA-N 277.383 3.944 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccnn1C(C)C 279688353 QNAIEDCRPOPFGE-UHFFFAOYSA-N 294.402 3.524 30 20 CHED Cc1cccc(C)c1C(=O)NCc1ccc(C#N)c(Cl)c1 619766745 CSDKCIIBFUTTQQ-UHFFFAOYSA-N 298.773 3.759 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(Cl)c1OC 275490269 REEFRHRAPVAPJH-OAHLLOKOSA-N 297.782 3.516 30 20 CHED C=CCC(CC=C)c1nc(-c2nnc(SC)s2)no1 278021470 RIDVNDMVDIVAJN-UHFFFAOYSA-N 294.405 3.546 30 20 CHED Cc1cccnc1CCCNc1c(F)cc(C#N)cc1F 450727911 ZTXXFUVQCFCSKG-UHFFFAOYSA-N 287.313 3.585 30 20 CHED C=CCNC(=O)[C@H](C)SC1CCC(C(F)(F)F)CC1 451034735 DXLFIWAYBUXTSR-WHXUTIOJSA-N 295.370 3.531 30 20 CHED C=C(CC)CNC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 459083484 SRWRKPXNZOGFJC-STQMWFEESA-N 252.402 3.561 30 20 CHED COc1cc(C#N)ccc1NC(=O)N(C1CCCC1)C1CC1 547415450 CXECYZGSLAIKKF-UHFFFAOYSA-N 299.374 3.506 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1ccc(F)c(C)c1)OCC 452319846 QNUHNENYMKZBGG-CJNGLKHVSA-N 293.382 3.683 30 20 CHED N#CCCCC(=O)Nc1cccc(Oc2ccccn2)c1 360312523 WCYHEUXHMQZLHP-UHFFFAOYSA-N 281.315 3.506 30 20 CHED Cc1ccc2c(n1)c(=O)c(C#N)cn2CC1CCCCCC1 542764504 YRSCQNGZGUFYDD-UHFFFAOYSA-N 295.386 3.547 30 20 CHED CCc1ccc([C@@H](NC(=O)CCCC#N)C(C)C)cc1 360264836 DISRBFZCWYSODJ-KRWDZBQOSA-N 272.392 3.756 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc2ccccc12 451601523 AAGVDZQJGMHTOI-VHSSKADRSA-N 267.372 3.834 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc(C(C)(C)C)s1 540532347 LUWDXRDUDNPXOG-LLVKDONJSA-N 280.437 3.915 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1C[C@H]1C(C)C)c1ccccc1 458114101 MMGZKXAHGUWUTN-VNQPRFMTSA-N 257.377 3.507 30 20 CHED CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)n[nH]1 276833350 BPRPAPMHVYTNRG-YNEHKIRRSA-N 297.406 3.602 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC2(CCCC2)[C@@H]1C(C)C)OCC 457175486 SKYCZZSMNCYXHQ-WBVHZDCISA-N 293.451 3.785 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 274345205 NIKOZRGIOPUOJM-RDJZCZTQSA-N 283.415 3.516 30 20 CHED CC[C@@H](CC(F)(F)F)N=c1c(C#N)c[nH]c2ccccc12 544846643 CSZYXCXEFMHRML-NSHDSACASA-N 293.292 3.671 30 20 CHED C#CCC1(C(=O)Nc2ccncc2CC)CCCCC1 276455971 NROVOBBCKGQYHR-UHFFFAOYSA-N 270.376 3.556 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC3(CCC3)CC2)cc1 375858531 UVXKTSMQZMQQFP-UHFFFAOYSA-N 296.414 3.894 30 20 CHED C=CCC[C@@H](CCC)NC1CCN(c2nccs2)CC1 374226895 CDSLEOMSILQEDG-CQSZACIVSA-N 293.480 3.836 30 20 CHED C#CCCCSc1nnc(CCCc2ccccc2)o1 270814248 FCXMRXIXGZWQKU-UHFFFAOYSA-N 286.400 3.750 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cc(C)oc2C)no1 277890038 HEVLEWDFGXLJNA-LLVKDONJSA-N 262.309 3.600 30 20 CHED C[C@@H](CN(C)Cc1cc(F)ccc1C#N)c1ccccc1 469194859 JRZSVMOPSVFNMR-AWEZNQCLSA-N 282.362 3.933 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CC12CCCCC2 540487081 AKJLOOPTTCDQHK-ZIAGYGMSSA-N 264.413 3.753 30 20 CHED N#C[C@H]1CC[C@H](Sc2ncccc2Br)C1 278631075 UDFCTWRZJXSWJV-IUCAKERBSA-N 283.194 3.628 30 20 CHED C=C(C)Cn1c(CC2CC2)nnc1N(C)c1ccccc1 460567436 OKSRVHRDGHNAAH-UHFFFAOYSA-N 282.391 3.575 30 20 CHED C=CCC(CC=C)C(=O)N(CC)c1cccc(OC)c1 467819317 OBFNFIGXODJQAX-UHFFFAOYSA-N 273.376 3.817 30 20 CHED C[C@H](Oc1ccccc1NC(=O)[C@H](C)C#N)c1ccccc1 469901648 MNZOKRYFLNYRPE-KGLIPLIRSA-N 294.354 3.925 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CC)C(C)(C)c1ccccc1 465288577 ZAWHGHDEVBJBHD-UKRRQHHQSA-N 274.408 3.617 30 20 CHED Cc1ccnc(Cl)c1OCCCC1(C#N)CCOCC1 281384451 PKYJMLUOTMTDMF-UHFFFAOYSA-N 294.782 3.523 30 20 CHED CC(C)CCC(=O)COc1ccc(C#N)cc1Cl 155440999 XMADSZOAHYUCOO-UHFFFAOYSA-N 265.740 3.596 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H](c2ccncc2)C1 289251135 CJEQECFMYRPUTP-INIZCTEOSA-N 271.408 3.591 30 20 CHED C[C@@H]1CN(c2nc(Cl)c(C#N)s2)[C@H]2CCCC[C@@H]12 286771647 IGEDNLTVJUQORU-UTLUCORTSA-N 281.812 3.683 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1ccc2[nH]ccc2c1 464163912 LOKUIWFESOQASY-GOSISDBHSA-N 297.402 3.545 30 20 CHED Cc1ccc(CC(=O)N[C@](C)(C#N)C(C)(C)C)c(Cl)c1 464164065 NEUXFHXXWJCTFI-MRXNPFEDSA-N 292.810 3.636 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@H]1CCC[C@H]1CCC(C)C 555819980 FUISWMLYQSDSPA-HOTGVXAUSA-N 299.418 3.596 30 20 CHED C=C(C)CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 280817342 UMZOGVSBKKETME-LBPRGKRZSA-N 293.716 3.558 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 281216114 CSTWYNODFCSOES-GOEBONIOSA-N 290.382 3.679 30 20 CHED CC(C)c1ccc(C[C@@H]2CCN(C(=O)C(C)(C)C#N)C2)cc1 372052695 GTPCDOAWGWPEOM-INIZCTEOSA-N 298.430 3.751 30 20 CHED C=CCCN(C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 467287210 FUEPUXCXGIBDEC-CYBMUJFWSA-N 294.826 3.792 30 20 CHED CC(C)[C@H](C#N)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 463825549 GAFJWHGASXXRNM-MJBXVCDLSA-N 264.413 3.503 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 281079700 FBBUHZMUHUCVAV-CZUORRHYSA-N 284.403 3.891 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N(C)[C@H](C)CC 558452010 GTYJYKKUBUTLSG-CQSZACIVSA-N 284.407 3.674 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(N(C)c2ccccc2)nc1 280625909 BZVATULDEQJXIB-OAHLLOKOSA-N 294.402 3.583 30 20 CHED C=CCCN(C)C(=O)NCC1(Cc2ccccc2)CCC1 466777072 KPVORVCSHNBKJF-UHFFFAOYSA-N 286.419 3.617 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2cc(Cl)ccc21 552637155 NTWCPQSNNNZTBG-UHFFFAOYSA-N 275.779 3.998 30 20 CHED C=CCCCS(=O)(=O)c1ccc(Cl)cc1Cl 555097522 NYBMUWPRJRPGOR-UHFFFAOYSA-N 279.188 3.733 30 20 CHED C=CCOCCSc1nc2ccc(Cl)cc2[nH]1 558807366 IFSUZYAMCGEJAB-UHFFFAOYSA-N 268.769 3.511 30 20 CHED Oc1ccc(Cl)cc1/C=N/C[C@@H]1CCCSC1 806551376 KPOSNCQMWWNLKH-CYANDVJASA-N 269.797 3.608 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H]1CCN(C(C)C)C1 809735623 MKNLWZQJSOPUOP-SJORKVTESA-N 266.473 3.831 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 476160869 REBZQCWLJZNFIY-QLFBSQMISA-N 261.409 3.818 30 20 CHED CN(CCC#N)C(=O)c1c(Cl)cc(Cl)cc1Cl 294517888 LHVHXJQFVQTSSG-UHFFFAOYSA-N 291.565 3.632 30 20 CHED CC(C)[C@H](O)CSc1ccc(C#N)c(C(F)(F)F)c1 298438188 RVQRTXURLGMZMC-GFCCVEGCSA-N 289.322 3.686 30 20 CHED CCN(CC)c1ccc(CNc2cc(C#N)cc(C)n2)cc1 804357534 IWYONVBHDMWBQK-UHFFFAOYSA-N 294.402 3.720 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccccc1F 470640926 HMSJJGMCJQQWLS-UHFFFAOYSA-N 297.373 3.973 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(-n3ccnn3)c2)s1 806576080 UEYGIUPSBQZDSI-BQYQJAHWSA-N 295.367 3.533 30 20 CHED Cc1ccc(-c2ccc(C)c(NCCO[C@H](C)C#N)c2)o1 802747097 ZWSPLMVPTKWUKJ-CQSZACIVSA-N 284.359 3.904 30 20 CHED N#CCCCCCC(=O)O[C@H]1CCc2ccc(F)cc21 805892576 LKCVUCQDUPUBKD-HNNXBMFYSA-N 275.323 3.830 30 20 CHED COc1ccc(C(C)(C)CNc2cc(C)nc(C#N)c2)cc1 561158923 QESQIRHOPCJERT-UHFFFAOYSA-N 295.386 3.660 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCC#N 292463805 YBVCWHIXWBELSS-IAGOWNOFSA-N 284.403 3.865 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(CC#N)c1 567081686 WNXYNKREHBZJIZ-HIFRSBDPSA-N 270.376 3.908 30 20 CHED CCN(CCC(=O)C(C)C)[C@@H](C)c1ccc(C#N)cc1 808711446 HGFMRWHJNKJOOC-AWEZNQCLSA-N 272.392 3.556 30 20 CHED C=CCCCCCCN[C@H](C)c1cccc(CO)c1 806167670 DMQNTYSOQYSYIC-OAHLLOKOSA-N 261.409 3.966 30 20 CHED CCN(Cc1ccc(C#N)s1)c1ccccc1OC 565155000 CAPKYFKHVVBDSZ-UHFFFAOYSA-N 272.373 3.655 30 20 CHED C#CC[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1ccccc1 801530248 ZCNPDKZDYDXJTL-QZTJIDSGSA-N 283.415 3.832 30 20 CHED C[C@H](NC(=O)c1sccc1C#N)c1cccc(C2CC2)c1 560325866 JBENQPUQDOHDKR-NSHDSACASA-N 296.395 3.988 30 20 CHED FC(F)SCc1ccc(C=NNCC2CCCC2)o1 808006373 RTFDBPMCJOXDLP-UHFFFAOYSA-N 288.363 3.849 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)CCCC#N 567303007 GLNJFLDEWXZEFV-AWEZNQCLSA-N 252.402 3.888 30 20 CHED N#CCCCC(=O)OC/C=C/c1ccc(Cl)cc1 812614769 WFTKWLJJCVLCKM-ONEGZZNKSA-N 263.724 3.590 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCN(c2ncccc2F)C1 562654384 FUQCCMJIXBWGJF-LSDHHAIUSA-N 291.414 3.524 30 20 CHED C[C@H](NN=C1CC(c2ccc(F)cc2)C1)c1ccncc1 819816823 PTCFTNVLVQUZKC-SFVWDYPZSA-N 283.350 3.805 30 20 CHED CCOc1cc(Cl)ccc1NC[C@H](C#N)CCC#N 565478861 RLHZRKZAWYRTAS-NSHDSACASA-N 277.755 3.594 30 20 CHED Fc1ccc(C#CCN2CC[C@@H](c3ccc(F)cc3)C2)cc1 483111172 DIICHPAWKIEACX-QGZVFWFLSA-N 297.348 3.806 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1O 811697915 IFPUGPLHFBNFGB-KXFIGUGUSA-N 290.265 3.575 30 20 CHED CC(C)(C)OC(=O)CCNN=C1CCC2(CCCC2)CC1 811647194 ADGYHAFHTPTYLP-UHFFFAOYSA-N 294.439 3.798 30 20 CHED C[C@@H](NN=Cc1ccc(Br)o1)c1ccccc1 814815285 SALPDLYVHSZCBE-SNVBAGLBSA-N 293.164 3.727 30 20 CHED N#Cc1cc(F)ccc1CN1CCSc2ccccc21 488064946 JAZGOAGRXVGOGC-UHFFFAOYSA-N 284.359 3.810 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(C)c(Cl)c1Cl 577339030 HAQJYXXBHUNOJK-SECBINFHSA-N 285.174 3.724 30 20 CHED C=CCC(F)(F)C(=O)NCCc1csc2ccccc12 815044560 FXWQQBANBBPKOE-UHFFFAOYSA-N 295.354 3.771 30 20 CHED Oc1ccc(C=Nc2cccc(C3CCC3)c2)c(O)c1O 812445124 RJBZAXYWJOQMKI-UHFFFAOYSA-N 283.327 3.822 30 20 CHED C=C(C)CNC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 488549844 OWANTFBMMNFMCF-UHFFFAOYSA-N 299.201 3.637 30 20 CHED COc1ccc([C@@H](C)CN2CCCC(C)(C)[C@H]2C#N)cc1 570273597 KKDUXUYKJSLNMW-WMLDXEAASA-N 286.419 3.813 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC1(Cl)Cl 823624066 PLHXIHSIAMWCPP-MFKMUULPSA-N 283.202 3.745 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@@H](C)c1ccc(F)cc1 495139456 LPBZVYRCKXXNSI-CJNGLKHVSA-N 290.382 3.679 30 20 CHED CC(C)(C)Oc1ccc(NCc2nccs2)cc1C#N 824721245 AHPFXPLHBQCXJN-UHFFFAOYSA-N 287.388 3.804 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccccc1-c1cccs1 491702044 IKDDILBRZKOPIC-LBPRGKRZSA-N 284.384 3.901 30 20 CHED CC[C@H](CC(=O)OCc1ccc(C#N)cc1F)C(C)C 729761518 KYJZXHVEDICRQV-CYBMUJFWSA-N 277.339 3.813 30 20 CHED C=CCCCN(C)[C@@]1(c2ccccc2)CCCCC1=O 580907443 MEBKVKKPBAOUFV-GOSISDBHSA-N 271.404 3.923 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 821009007 VSSSRDBEAGQDNJ-RMKNXTFCSA-N 285.274 3.938 30 20 CHED CC[C@H](N[C@@H](CO)c1ccccc1C)c1cccc(C#N)c1 902830412 NKMGRMKASOQPDZ-OALUTQOASA-N 294.398 3.641 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc2cc[nH]c12 580990565 YNZXRHRYHDIOTI-GFCCVEGCSA-N 257.337 3.644 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C\c1ccccc1 732017523 HOGYVJXDEUUAGH-SEYXRHQNSA-N 293.366 3.581 30 20 CHED C=CCCCOC(=O)CCc1ccc(Cl)cc1 735528446 RLFMARTWNQISKD-UHFFFAOYSA-N 252.741 3.782 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ccc(F)cc1F 588618075 DNLLFRLPHLRTLQ-VURMDHGXSA-N 269.250 3.733 30 20 CHED N#CCCCCCC(=O)N(c1nc2ccccc2o1)C1CC1 905869617 MEDBBURVAOQBLI-UHFFFAOYSA-N 297.358 3.797 30 20 CHED C[C@](C#N)(NC(=O)/C=C/c1ccccc1)C1CCCCC1 734239482 DQXSLGUCSCAKCH-QFQMRYFISA-N 282.387 3.679 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CSc2ccccc21 735415248 RBZAGUTVYCNVSP-ZLYHGVDXSA-N 285.368 3.667 30 20 CHED N#CCN(C(=O)/C=C/C1CCCCC1)c1ccccc1 735435114 NCCLGCZPWBLFIN-VAWYXSNFSA-N 268.360 3.680 30 20 CHED CC[C@H](NCc1nnc(C2CC2)s1)c1cccc(C#N)c1 903024876 OYBHDLWPCFRRMF-AWEZNQCLSA-N 298.415 3.528 30 20 CHED C#CCCOC(=O)c1ccc(-c2ccc(OC)cc2)cc1F 730398151 FORMFDNNKFINMA-UHFFFAOYSA-N 298.313 3.681 30 20 CHED N#CC1(CN[C@@H]2CCCc3c2[nH]c2ccc(F)cc32)CCC1 903035077 HWYBDARKPGPRLM-MRXNPFEDSA-N 297.377 3.968 30 20 CHED CC(=NNCc1ccccc1)c1cnc2ccsc2c1 739413520 ROPKRAXRZSQNSN-UHFFFAOYSA-N 281.384 3.810 30 20 CHED CCc1ccc(C=NNCCCOc2ccccc2)s1 731153540 QWBSFLDWJVXXPW-UHFFFAOYSA-N 288.416 3.703 30 20 CHED N#CCCCC(=O)Nc1c(-c2ccccc2)ncn1C1CC1 589762179 WGBJPWPDJVNYQB-UHFFFAOYSA-N 294.358 3.517 30 20 CHED CC(C)(C)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901379880 RGZDBDUPUSDEOT-UHFFFAOYSA-N 276.163 3.757 30 20 CHED C#CCN(C(=O)[C@H](CC)OC1CCCC1)C1CCCCC1 733099300 FCSFNQYVMULIRX-KRWDZBQOSA-N 291.435 3.519 30 20 CHED C=C[C@H](CC)Cc1nc(-c2cnccc2C(F)(F)F)no1 904106709 RTALPNPGXMHLLX-SECBINFHSA-N 297.280 3.905 30 20 CHED C#CC(C)(C)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 737854670 NXGMQPMVPSGFCX-LLVKDONJSA-N 297.320 3.727 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cc2ccccc2o1 582601697 RPISOWLSVPTCTP-UHFFFAOYSA-N 257.333 3.651 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 582087619 TVERVUMCHGBLME-BQFCYCMXSA-N 284.403 3.612 30 20 CHED Cc1nc2ccc(NC(=O)C#CC(C)(C)C)cc2s1 837309893 YBAUYQYWBLNTAN-UHFFFAOYSA-N 272.373 3.593 30 20 CHED C=CCC1(C(=O)O[C@@H]2CCO[C@@H](CC)C2)CCCC1 835280278 POZVPVDZJOUSJJ-UONOGXRCSA-N 266.381 3.624 30 20 CHED C=CCC(C)(C)c1noc(-c2ccn3c(C)cnc3c2)n1 583510110 HJIKKQCBMGRQHR-UHFFFAOYSA-N 282.347 3.546 30 20 CHED CC(C)(C)Oc1ccc(CNc2cccnc2C#N)cc1 589564640 ISJBIKXYVQXKIV-UHFFFAOYSA-N 281.359 3.743 30 20 CHED C=C[C@](C)(CC)c1nc([C@@H]2CCOc3ccccc32)no1 584686109 FYNDQNVAXNVJOG-CXAGYDPISA-N 284.359 3.838 30 20 CHED CCSCCCN[C@H](CC)c1cccc(C#N)c1 902981938 SSKNINKDRWARLD-OAHLLOKOSA-N 262.422 3.742 30 20 CHED C[C@H](NC(=O)C1(C(F)F)CCCC1)c1cccc(C#N)c1 588936281 MWLSLMDXUMDWTN-NSHDSACASA-N 292.329 3.561 30 20 CHED CC[C@H](NCc1ccc(OC)cc1F)c1ccc(C#N)cc1 583421045 WNVNYFSDUJIQTB-SFHVURJKSA-N 298.361 3.947 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2cc(C)ccc2OC)c1 834903024 NTRRDYZDKDXIKY-HNNXBMFYSA-N 279.383 3.836 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCC1CC1 589706841 IBFCEBNXOSLOFO-ROUUACIJSA-N 296.414 3.865 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccc(F)cc1 739424928 MQFGJYPRQXVXBX-UITAMQMPSA-N 285.274 3.938 30 20 CHED Cc1ccc2[nH]cc(C=NNc3ccccc3C(=O)O)c2c1 735612084 HNFINZKWDJYPLC-UHFFFAOYSA-N 293.326 3.621 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)C#Cc2cccs2)C1 832450086 BARNEXLHECHBQJ-PBHICJAKSA-N 295.407 3.709 30 20 CHED C=CCC[C@H](OC(=O)c1cccc(CC)n1)C1CC1 835243724 PMESCZOUVWZDMN-HNNXBMFYSA-N 259.349 3.546 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NC(=O)CCCCCC#N 588160550 AXCPVVMIDIFQKO-UONOGXRCSA-N 282.453 3.641 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)CCc1ccccc1 670195370 FNMJUQFBGVIMPJ-UHFFFAOYSA-N 298.434 3.657 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)CSc2ccccc21 588523669 NLAVCJHTPJZMOR-YRNVUSSQSA-N 271.316 3.593 30 20 CHED CC(C)c1ccc([C@H]2CCCN2C(=O)C#CC2CC2)cc1 837497206 DLYRWSPMGVHFNI-GOSISDBHSA-N 281.399 3.887 30 20 CHED C[C@@H](C=NNC1CCCC1)c1cc(F)cc(F)c1 834954537 ZBRQDEBGHJUWOB-JTQLQIEISA-N 252.308 3.586 30 20 CHED O=C1/C(=C/c2ccccc2F)COc2ccc(F)cc21 731564874 BFHFPXFIESESGR-YRNVUSSQSA-N 272.250 3.624 30 20 CHED C=C(CC)CN1CCC(OCc2ccc(F)cc2)CC1 678633278 ZQSOSRPAQYBKIU-UHFFFAOYSA-N 277.383 3.773 30 20 CHED COc1cccc2cc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)oc12 839047129 UXGIUXVOXBLYQZ-DGCLKSJQSA-N 299.326 3.681 30 20 CHED CCCCCNC(=S)NN=C(C)C1CCCCC1 916360918 KENHQWRORVOZJG-UHFFFAOYSA-N 269.458 3.597 30 20 CHED Cc1ccc(-c2cnn(CC3(CC#N)CC3)c2)cc1 596255586 ZZTMRFJMFDFAOF-UHFFFAOYSA-N 251.333 3.552 30 20 CHED C=CCc1ccccc1OC(=O)[C@H]1CC12CCSCC2 835050461 RMIYBNOEKXUMMF-CQSZACIVSA-N 288.412 3.854 30 20 CHED CC1(C)CCCN(C(=O)CC2(C#N)CCCCC2)CC1 597296014 GNWOOTBNVYIKEM-UHFFFAOYSA-N 276.424 3.889 30 20 CHED CCCCCCC(=O)N1CCCc2cc(C#N)ccc21 839396069 NDWHQANLNCUHFO-UHFFFAOYSA-N 270.376 3.808 30 20 CHED COc1cccc(C=Nc2ccc(-c3cnc[nH]3)cc2)c1O 743334314 STIHQGIXSISXTR-UHFFFAOYSA-N 293.326 3.542 30 20 CHED CC(C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 593989284 MTBBNGVPPKTXDS-MAUKXSAKSA-N 298.430 3.631 30 20 CHED CCC[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)C1CCC1 590928125 PYENEKSFTFAKNY-CXAGYDPISA-N 299.418 3.887 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 679205324 HDUKGJIKFSKTLL-UHFFFAOYSA-N 289.378 3.735 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2cc(C)ccc2OC)c1 914558457 VXQOYBCFNQAUFG-YBFXNURJSA-N 299.370 3.727 30 20 CHED C=C(C)COC(=O)c1cnn(-c2cccc(Cl)c2)c1C 914593674 FSRUNWPSNQSEHI-UHFFFAOYSA-N 290.750 3.567 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 672464103 MNPXDLJXODHIPC-CRAIPNDOSA-N 286.419 3.714 30 20 CHED C=C1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1 594848115 PJPVNHVBKJFIOP-UHFFFAOYSA-N 294.398 3.793 30 20 CHED COCC[C@@H](Nc1ccc(C#N)cc1C)c1ccco1 846752061 WSHQZPCXNSTXFL-OAHLLOKOSA-N 270.332 3.649 30 20 CHED CCC/C=C\C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 747193687 NCCKAGQHRSRKCU-JMEBYUIHSA-N 262.378 3.799 30 20 CHED Cc1cc(NN=C(CC(C)C)CC(C)C)nc(C)n1 915970929 UHKUNFNZWODQES-UHFFFAOYSA-N 262.401 3.954 30 20 CHED CCCC1CCC(=NNc2cncc(Cl)n2)CC1 914559857 JYNNEWNNTNCIAP-UHFFFAOYSA-N 266.776 3.888 30 20 CHED COCCON=C(C)c1ccc2c(c1)Cc1ccccc1-2 748791294 IRMDADXXGREXIE-UHFFFAOYSA-N 281.355 3.645 30 20 CHED C[C@]1(C(=O)Nc2ccc(CC#N)cc2)CCc2ccccc21 592579701 ZKAKFHGEASQKHR-IBGZPJMESA-N 290.366 3.595 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2ccncc2s1 595045251 SEWVGHSPTINRAG-NTZNESFSSA-N 271.389 3.639 30 20 CHED CCCCCC[C@H](C)NC(=O)NCC#Cc1ccccc1 914600839 NEJOSJXDDPKPDF-INIZCTEOSA-N 286.419 3.696 30 20 CHED CCCNN=Cc1ccc(-c2ccccc2F)s1 915966200 YURTWCWXXYLCGD-UHFFFAOYSA-N 262.353 3.888 30 20 CHED C[C@]1(C=NNc2ncccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 841629158 IIEMEVXOPGXFRU-CZUORRHYSA-N 296.330 3.581 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(F)c(Cl)c1 915988685 BKLIJIZAOFOOMM-XQRVVYSFSA-N 278.714 3.715 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@@H](CC#N)C2)o1 597173610 KXHIBCOPOLCXSH-VNHYZAJKSA-N 258.365 3.529 30 20 CHED COc1ccc(C#N)cc1CN1Cc2ccccc2[C@@H](C)C1 746309361 ANRWOKKLGCWHPC-AWEZNQCLSA-N 292.382 3.686 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(F)cc1OC(C)(C)C 844594804 WEUHGOCWBXAXRE-JTQLQIEISA-N 296.342 3.631 30 20 CHED N#CC1(CCOC(=O)CCC(F)(F)F)CCCCC1 840233377 DUXCBRSSFJXDKT-UHFFFAOYSA-N 277.286 3.736 30 20 CHED C[C@H](c1cc(F)ccc1F)N1CCC[C@H](CC#N)C1 595613335 BDKYRWMVWVFNPP-VXGBXAGGSA-N 264.319 3.651 30 20 CHED COc1ccc(COc2cccc(F)c2C#N)cc1C 590597052 HYYPWZVRSHNGKI-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CC(C)Oc1ccc(NC(=O)NCC2=CCCC2)cc1C#N 596799602 ADHCTOCIXSWTOJ-UHFFFAOYSA-N 299.374 3.577 30 20 CHED CCC(=NNc1ccccc1Br)[C@H]1CCOC1 741847162 HHXIWFYYZAKXIH-JTQLQIEISA-N 297.196 3.664 30 20 CHED CCCCN(C(=O)[C@@H](C#N)CC)[C@H](C)c1ccccc1 593428259 YRNNQCLREWEMCM-HUUCEWRRSA-N 272.392 3.926 30 20 CHED C=CCN(C(=O)CCC(=O)c1cc(C)ccc1C)C(C)C 918700850 FEDVUHHGNBLFQX-UHFFFAOYSA-N 287.403 3.689 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)c1c(C)n[nH]c1C)c1ccccc1 910072252 OAMWORRMFCQNRP-LRDDRELGSA-N 297.402 3.564 30 20 CHED COCCON=C1CCC[C@H]1c1ccc(Cl)cc1 748789800 ZDCJTZSGGMUPLX-ZDUSSCGKSA-N 267.756 3.627 30 20 CHED N#C[C@H](C(=O)/C=C\C1CCCC1)c1cnc2ccccc2n1 842776794 ZWZXEZAZKQYRTO-CMUBDUJZSA-N 291.354 3.552 30 20 CHED Cc1ccc(C#N)nc1N[C@H](C)CCOCc1ccccc1 596236109 PYQCDWNVEKEDPB-OAHLLOKOSA-N 295.386 3.669 30 20 CHED C#C[C@@H](OC(=O)c1c(C)noc1C(C)C)c1ccccc1 842389495 HSNOSHNZFWYJSJ-CQSZACIVSA-N 283.327 3.638 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2c[nH]c3ccc(F)cc23)cc1 747043777 LSJXPKMQJJDSBH-UHFFFAOYSA-N 298.277 3.661 30 20 CHED CC(C)(CC#N)CN[C@H](c1ccccc1)C1CCOCC1 840787656 NJDXHHGHHDJSAB-QGZVFWFLSA-N 286.419 3.684 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1cc2ccccc2o1 683788363 NZSBHEBDTZXIGA-AWEZNQCLSA-N 269.344 3.542 30 20 CHED Cc1ccccc1CCCN(CCC#N)CC(C)C 753387997 MDSXVSWPCDFBPD-UHFFFAOYSA-N 258.409 3.799 30 20 CHED N#CCSCCCSc1ncc(Cl)s1 850000346 RKMRUQFIXXTSBS-UHFFFAOYSA-N 264.828 3.535 30 20 CHED C#CCNC(=S)Nc1ccc(Oc2cccc(C)c2)cc1 758174545 DZCZCQSFXQIJAI-UHFFFAOYSA-N 296.395 3.707 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCOCCc1ccccc1 924715073 FCFSYZYBNVBSRB-MRXNPFEDSA-N 288.435 3.554 30 20 CHED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C[C@H](O)CC#N 929730900 FXOCOXAHXPCCBI-DNVCBOLYSA-N 294.398 3.621 30 20 CHED C[C@@H]1CCCCN1N=Cc1ccc(CSC(F)F)o1 853378322 CGUPGJGMCVZIOG-SNVBAGLBSA-N 288.363 3.944 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)C1CCC1)c1ccccc1 681668074 TVPCRMRCPVSJPQ-BBRMVZONSA-N 257.377 3.651 30 20 CHED CC[C@@H]1CCCC1=NNc1nc2ccccc2n1C 758373505 YFDCMLAKMPCYDR-LLVKDONJSA-N 256.353 3.551 30 20 CHED C(/C=C/c1ccco1)=NNCc1cccc2cccnc12 920373986 OQJMVJLQMRIBDM-OWDHVHKSSA-N 277.327 3.617 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C\c2ccsc2)C1 855441300 ZKGZZYJPEFFTMZ-FMFIFOJESA-N 261.390 3.576 30 20 CHED COc1cc(C)c(/C=C2/Cc3ccccc3C2=O)cc1OC 751513652 SAMPEKPJEATLGN-GDNBJRDFSA-N 294.350 3.835 30 20 CHED CC(C)Oc1cccc(C=Nn2cnc3ccccc32)c1 921258593 JUQOYPBGTDECNN-UHFFFAOYSA-N 279.343 3.706 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccc(Br)cc1F 758369471 GSLQKYCUVRQKSS-YUMQZZPRSA-N 271.133 3.642 30 20 CHED CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1 929143867 YBDCPHGZGPOVKR-ZDUSSCGKSA-N 285.391 3.752 30 20 CHED C#C[C@@H](CC)Nc1nc(C(F)F)nc2ccc(F)cc12 853531496 QPZYKVQROUYKLZ-VIFPVBQESA-N 279.265 3.530 30 20 CHED COCc1csc(C(=O)OCCCCC(C)(C)C#N)c1 850076423 REHQJDTWRLFTCV-UHFFFAOYSA-N 295.404 3.771 30 20 CHED FC(F)(F)Oc1cccc(CC=NOC/C=C\Cl)c1 853348034 XSWKXYVNGRLNLX-HPGKZBKZSA-N 293.672 3.883 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2cccc(F)c2[C@@H]1C 933271869 YVCVFPIZAXAUPX-STQMWFEESA-N 275.367 3.874 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccoc1 755888473 FMTKGFVZGABZTB-UHFFFAOYSA-N 279.683 3.677 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2N(C)CCC)CC1 932071047 WBIKZTWFDCDEPF-UHFFFAOYSA-N 287.407 3.717 30 20 CHED N#CC1(CCCCN[C@H]2CCc3ccccc3OC2)CCC1 930346900 BZUHFILEWKPBHO-KRWDZBQOSA-N 298.430 3.834 30 20 CHED C#Cc1cccc(NC(=O)CO[C@H]2CCCC[C@@H]2CC)c1 766340380 UXFSGYRHITYEEM-RDJZCZTQSA-N 285.387 3.592 30 20 CHED CCCCCCCCCCC(=O)N1C[C@@H]2C[C@H]2C1 862553128 HKLSXKYBSDOYIL-GJZGRUSLSA-N 251.414 3.996 30 20 CHED COc1cc(F)ccc1NN=Cc1cscc1Cl 761884983 ODNVPBXPNNCCHR-UHFFFAOYSA-N 284.743 3.995 30 20 CHED CC(=NNc1cccc(C#N)c1)c1cccc(F)c1 767335406 CQSYDHVKOALRFQ-UHFFFAOYSA-N 253.280 3.533 30 20 CHED COc1ccc(CNN=C[C@H]2CCC[C@H](C)C2)cc1 768361812 XJYVCRVPENESJL-ZFWWWQNUSA-N 260.381 3.597 30 20 CHED C#CCCCSc1nc2ccccc2n1CC=C 766274066 CUWYPFOOVZNJLU-UHFFFAOYSA-N 256.374 3.728 30 20 CHED CCC(CC)(CC)S[C@@H](C)C(=O)NC1(C#N)CCC1 762972610 LBFANXZQKRDLIW-LBPRGKRZSA-N 282.453 3.639 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1cncc(C)c1 767362776 RYBQLYGZTJFZQC-UHFFFAOYSA-N 295.173 3.928 30 20 CHED CC(C)C#CC(=O)Nc1cccc(SC(F)(F)F)c1 863618924 IRODQDACRMZKHH-UHFFFAOYSA-N 287.306 3.896 30 20 CHED CCCCCCCCNC(=O)Cc1ccc(C=O)cc1 860402445 DOICEHQCGRRDHB-UHFFFAOYSA-N 275.392 3.518 30 20 CHED CC[C@H](C#N)OC(=O)c1c(Cl)cc(F)cc1Cl 763564343 RLCQNDPZPZAAAS-SSDOTTSWSA-N 276.094 3.591 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCC[C@@H](C)OC)cc1 765630372 NDBQOTVKOMPIKM-KGLIPLIRSA-N 297.826 3.894 30 20 CHED C=CCCC(=O)COC(=O)c1cccc(Cl)c1Cl 761359265 DMSFTBPJKKTVDQ-UHFFFAOYSA-N 287.142 3.686 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2cc(C#N)cc(Cl)n2)C1 768381600 JKOIFYPQMPQJFW-WDEREUQCSA-N 276.771 3.831 30 20 CHED C#C[C@H](OC(=O)CCc1cncc(C)c1)c1ccc(C)cc1 860963663 ZZNFTSCJNSEGGV-SFHVURJKSA-N 293.366 3.549 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cnc(C)s1 761254564 PZVCUHGKOVDHMJ-UHFFFAOYSA-N 267.304 3.566 30 20 CHED CC(C)(C#N)CCOC(=O)C1CCC(C(F)(F)F)CC1 769454616 PBOGKZHLVYYNGX-UHFFFAOYSA-N 291.313 3.838 30 20 CHED CC(=NNCC(F)(F)F)c1ccc2ccccc2c1 769814960 OAQUDTWJPAAIIA-UHFFFAOYSA-N 266.266 3.716 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1sccc1O 769780536 ASYJLLIHNQCBGM-UHFFFAOYSA-N 260.362 3.907 30 20 CHED N#Cc1cccc(-c2nnc([C@@H]3C[C@H]3C3CCC3)o2)c1 1118372333 UKPRCRCOTYHVPD-UONOGXRCSA-N 265.316 3.512 30 20 CHED CC[C@@H]1C[C@H](C)CC[C@H]1NCc1ccc(OCC#N)cc1 772959001 MOWOTYTVIKBWMJ-QGPMSJSTSA-N 286.419 3.893 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3C[C@@]3(C)C(C)C)[nH]c12 774105087 SRFZICLSBSDMJX-VFVRVIDISA-N 295.386 3.730 30 20 CHED CC(=O)c1ccccc1C(=O)O[C@H](C#N)C1CCCCC1 776396366 HEDJGUDXAUONOM-MRXNPFEDSA-N 285.343 3.518 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H]1c1cccc(F)c1 879015634 FECRDPLMIFPKAG-AWEZNQCLSA-N 261.340 3.701 30 20 CHED COc1cccc(NN=C(C)c2cc3ccccc3o2)n1 779819707 UGGHGXMDWJXLCS-UHFFFAOYSA-N 281.315 3.673 30 20 CHED C=C[C@@H](COC)NCc1ccc(C2CCCC2)cc1 1117657314 SFMSXTKURLBIAQ-KRWDZBQOSA-N 259.393 3.635 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1cccc(F)c1C#N 778375734 TYRMTYLBAOOAFE-GFCCVEGCSA-N 276.355 3.786 30 20 CHED C[C@@H](Oc1cccc(Cl)c1)c1nnc(C(C)(C)C#N)o1 1117284178 AVEKRKYYYOHDRU-SECBINFHSA-N 291.738 3.664 30 20 CHED Cc1ccccc1NC(=S)NN=C1CC2(CCC2)C1 772834005 WKJTXEYYINPCRJ-UHFFFAOYSA-N 273.405 3.602 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCSC2)cc1 773029146 CUNZWLQKNYNYGF-TZMCWYRMSA-N 297.851 3.974 30 20 CHED CC(C)c1nccnc1NN=C[C@@H](C)c1ccccc1 773079029 RXZPWGCQHOCBNR-CYBMUJFWSA-N 268.364 3.801 30 20 CHED Cc1nn(Cc2ccccc2)c(C)c1C=NOC1CCCC1 774596934 NBPNODUMGOYUTK-UHFFFAOYSA-N 297.402 3.841 30 20 CHED Cn1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)n1 773145155 PINKPVYNDUCXJR-HWKANZROSA-N 281.142 3.623 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc2ccncc2c1 887661725 NSDGPNZIXDBXKN-UHFFFAOYSA-N 255.317 3.743 30 20 CHED C=CCN(CCc1ccco1)C(=O)C=C(CC)CC 779143310 DWOPTSBICVENSM-UHFFFAOYSA-N 261.365 3.583 30 20 CHED C#CCCCCCC(=O)N1CCCC[C@@H](SCC)C1 779912155 XRPKDUBRTWIDKC-OAHLLOKOSA-N 281.465 3.704 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2c2cc(C#N)nc(C)n2)c1 882095491 MMRKTLJEFBFSFD-QGZVFWFLSA-N 292.386 3.615 30 20 CHED Cc1cc(C=NNc2cc(Cl)ccn2)cnc1Cl 777907589 WVCVFIZMNAJYMN-UHFFFAOYSA-N 281.146 3.538 30 20 CHED Cc1cc(NN=Cc2ccc(C(F)(F)F)cc2C)ncn1 785454839 VVXBJTGIDLXFBE-UHFFFAOYSA-N 294.280 3.558 30 20 CHED C#CCCN1CCC(c2ccccc2Br)CC1 784413980 HZHNQMUSDLMAFJ-UHFFFAOYSA-N 292.220 3.652 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CC[C@@H]1CC1(Cl)Cl 1121246676 WLPCWFWWAVTFDJ-NEPJUHHUSA-N 290.234 3.918 30 20 CHED CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1O 787025532 HBPUPMLMLIPELW-ROUUACIJSA-N 292.382 3.992 30 20 CHED CCCCCCCn1cnc2cc(F)c(C)cc2c1=O 783919630 GUGOPPGPOZUYNR-UHFFFAOYSA-N 276.355 3.814 30 20 CHED O=C1c2ccccc2CN1N=Cc1csc2ccccc12 781595536 SJMMHZIEEJMRFL-UHFFFAOYSA-N 292.363 3.891 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N[C@@H](CC)CC#N 781024613 DQUNRVSPOFPWGB-DZGCQCFKSA-N 252.402 3.791 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCCS2)n1 783402645 ZHRGVAOLMBGCKU-ZYHUDNBSSA-N 294.445 3.728 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccc(C(F)(F)F)nn1 783861673 FQXKVPRRQRDIFG-UWVGGRQHSA-N 286.301 3.719 30 20 CHED C=CCCCCCOC(=O)c1ccc2c(c1)COC2 783304214 UXKLZBKCTYFNDX-UHFFFAOYSA-N 260.333 3.620 30 20 CHED O=C(CCCc1cccs1)N(O)Cc1ccc(F)cc1 899895237 LTJDTJIPUGSZPM-UHFFFAOYSA-N 293.363 3.628 30 20 CHED C=C1CCN(C(=O)NCc2ccc(C(C)(F)F)cc2)CC1 895044811 YVKFJHQJPJQUQE-UHFFFAOYSA-N 294.345 3.660 30 20 CHED N#Cc1ccc(N2CC[C@H](c3cccnc3)C2)c(Cl)c1 894346143 IAWUKGLVQAIPAX-AWEZNQCLSA-N 283.762 3.601 30 20 CHED CC(C)(C)c1nc(C(=O)OCC2(C#N)CCCC2)cs1 780535362 KLNAVOXGLZHTPR-UHFFFAOYSA-N 292.404 3.681 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc(N2CC=CC2)c1 783961879 BCOXSSKVCXZCRK-UHFFFAOYSA-N 298.386 3.550 30 20 CHED CC(=O)c1ccc(NCc2ccc(C#N)cc2F)cc1 78531595 SHOXXVNZBIYWRX-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccnn1C(C)C)C2 794943569 ZAUCNQWEVWDLFF-GXDHUFHOSA-N 266.344 3.595 30 20 CHED COc1cccc(C=NNc2cccc3ccccc23)n1 790165195 NFSZWMOFJTXRIC-UHFFFAOYSA-N 277.327 3.689 30 20 CHED CC[C@@H](C)NN=Cc1ccc(Cl)c2cccnc12 790186871 CHEVIKXEZLOFLD-SNVBAGLBSA-N 261.756 3.610 30 20 CHED Cc1cccnc1NN=C1C[C@H](C)c2c(F)ccc(O)c21 790191035 PLNKIVYSRNZNJL-JTQLQIEISA-N 285.322 3.558 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(F)n1 791864769 IURMKTRQLCUBNG-UHFFFAOYSA-N 299.349 3.831 30 20 CHED C=CCC(C)(C)C(=O)OCc1csc(CCC)n1 796463329 ORIIZFUFWVBTHH-UHFFFAOYSA-N 267.394 3.741 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)c1 103102539 CANFROVMLZZVRX-UHFFFAOYSA-N 293.153 3.579 30 20 CHED Cc1ccc(OC(F)F)c(C=NNc2ncccc2F)c1 794982775 BATLULOAWOCYIM-UHFFFAOYSA-N 295.264 3.577 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C/c1ccc(Cl)cc1 798554248 NFOLAHOERPPCAY-BMGYJQCNSA-N 263.768 3.824 30 20 CHED C[C@H](NN=C(C[C@@H]1CCOC1)c1ccccc1)C(C)(C)C 793112927 YDCPTXUNKGKBRZ-GJZGRUSLSA-N 288.435 3.842 30 20 CHED COc1ccccc1CON=C(C)c1ccccc1N(C)C 799118046 VHSRSOTUKUCFJW-UHFFFAOYSA-N 298.386 3.702 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1csc(Cl)c1 189254159 OEZUQWWCYIKVBC-UHFFFAOYSA-N 284.812 3.803 30 20 CHED CC(/C=C\C(=O)c1cc(C)on1)=C\c1ccccc1 791432716 PBVITGVAABMPJS-LVQHWDRTSA-N 253.301 3.825 30 20 CHED CSCCON=C1CC(c2cccc(Cl)c2)C1 794576484 HHYATWOOMCPVEP-UHFFFAOYSA-N 269.797 3.953 30 20 CHED CCSc1cccc(NC(=O)c2ccc(C#N)cc2)c1 71020254 IPLSFWWMZKDVTA-UHFFFAOYSA-N 282.368 3.923 30 20 CHED CC1(CNN=Cc2c(F)cccc2Cl)CCCC1 793084295 JZUBRPKZHNUBKC-UHFFFAOYSA-N 268.763 3.983 30 20 CHED CCCCCCCCNC(=O)N1CC[C@H](OC)C[C@H]1C 799381386 DGHAOUOBZGNXQC-CABCVRRESA-N 284.444 3.556 30 20 CHED COc1cccc(C=NNc2cccc3cnccc23)c1F 799878625 CAVNZFQFJJMOTC-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1CCC[C@@H](O)C1 793530604 BMWZZCIATLYKEH-HRCADAONSA-N 253.430 3.652 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 1154486258 RNQWCJRNQDNASL-MSOLQXFVSA-N 298.430 3.654 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cc2c(s1)CCCCCC2 767254847 ZENPCNSZTXRVIT-LBPRGKRZSA-N 275.417 3.501 30 20 CHED N#Cc1ccc(CCSc2ccc(Cl)cn2)cc1 1307291411 ZBFNKNGGIBWJAR-UHFFFAOYSA-N 274.776 3.941 30 20 CHED N#Cc1cnc(Sc2cccs2)c(Br)c1 1162176514 ALBHYZBSFAIWRS-UHFFFAOYSA-N 297.202 3.928 30 20 CHED CCC(CC)N(CC)c1ncc(Br)cc1C#N 1612441819 VNCVSGIGAXXVHN-UHFFFAOYSA-N 296.212 3.731 30 20 CHED CC[C@H](C)c1nnc([C@@H]2C[C@H]2c2cccc(C#N)c2)o1 1326986166 NRVCHYPCSRKSSV-LEWSCRJBSA-N 267.332 3.726 30 20 CHED Cc1nc(Nc2cccc(CC#N)c2)c(Cl)cc1C#N 1642699990 PRDNQNFVNHQSBO-UHFFFAOYSA-N 282.734 3.725 30 20 CHED C=CCn1cnnc1SCc1cccc(OC(C)C)c1 1321691341 AILAVLDPHPQFJP-UHFFFAOYSA-N 289.404 3.544 30 20 CHED C=CCCCC(=O)Nc1ccn(C2CCCCC2)n1 1326442233 ZJYPCDBPVLVRJW-UHFFFAOYSA-N 261.369 3.683 30 20 CHED Cn1cc(-c2ccc(/C=C/C(=O)c3ccccc3)cc2)cn1 1322456787 UKFZNQXYDYCVNX-FMIVXFBMSA-N 288.350 3.983 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2CCC23CCC3)cc1C#N 1180795641 XUEBLDYLDJBTHH-OAHLLOKOSA-N 299.374 3.871 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1cc(C#N)ncn1 1185149924 WLVFOQIVQIURRA-OCCSQVGLSA-N 272.396 3.613 30 20 CHED N#CC1(CN2CCC(Nc3ccccc3Cl)CC2)CC1 1324923147 HEPUDBMUOPXSJM-UHFFFAOYSA-N 289.810 3.520 30 20 CHED C=C(Cl)COC(=O)c1ccc(C(F)(F)F)s1 803863122 HISUSBZSNNAAPX-UHFFFAOYSA-N 270.659 3.676 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 200989118 TYUBLDGHKSRLAH-INIZCTEOSA-N 256.393 3.816 30 20 CHED N#CCc1cccc(N2CCC[C@H]2/C=C\c2ccccc2)n1 1262366873 ZIBVNGSYVKTCHW-JYBLJSLWSA-N 289.382 3.830 30 20 CHED CCCCCC(C)(C)C(=O)[C@H](C#N)c1nccn1CC 1349713750 GYPVDMZQJSPNHD-ZDUSSCGKSA-N 275.396 3.686 30 20 CHED C#CCCCCc1nnc(-c2cc3ccccc3o2)o1 1341557459 WYRHQCURTZEYGK-UHFFFAOYSA-N 266.300 3.829 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)[C@H](C#N)c1cccc(F)n1 1344007209 OKUJGEBWRLBMMB-FRRDWIJNSA-N 274.339 3.613 30 20 CHED CCc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1CC 1342672784 DEGCIVJGZQXUEI-GOSISDBHSA-N 286.419 3.870 30 20 CHED N#Cc1cccc(-c2nnc(C(C3CC3)C3CC3)o2)c1 1348898841 FJVVHBLVMAXYBT-UHFFFAOYSA-N 265.316 3.512 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)C2CCCC2)c1 1275796870 KPFFPRQXGBEUIM-LBPRGKRZSA-N 256.349 3.632 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)[C@H](C#N)c1nccn1C 1515836413 KTKHKYFWOOCSCS-CABCVRRESA-N 287.407 3.593 30 20 CHED Cc1cccc(N(C)C(=O)c2ccc(C#N)s2)c1C 1527745201 VDQLDJQZASORAR-UHFFFAOYSA-N 270.357 3.513 30 20 CHED Cc1cc(N(C)[C@H]2CCC[C@@H]2C(C)(C)C)ncc1C#N 1458448970 YZZHDABSUBCGRZ-GJZGRUSLSA-N 271.408 3.913 30 20 CHED Cc1cc(N2CCCC[C@@H]2CC(C)C)ncc1C#N 1458249072 UJIBKMZNXBPGNI-OAHLLOKOSA-N 257.381 3.667 30 20 CHED C#CC[C@@H](CC)c1nnc(N2CCC(C)=C(C)C2)n1CC=C 1520648590 BDWFXCKBCGUTLU-MRXNPFEDSA-N 298.434 3.528 30 20 CHED CCCC[C@@H](S[C@H](C)c1cccc(C#N)c1)C(=O)O 1609966164 FHMDWKAIGXWGGG-BXUZGUMPSA-N 277.389 3.996 30 20 CHED Cc1ccc(NN=CCC(C)(C)C(=O)O)cc1Cl 1600463365 UTSRLMHBJFRNIY-UHFFFAOYSA-N 268.744 3.547 30 20 CHED CC(C)c1ncsc1C(=O)Nc1ccc(F)c(C#N)c1 1536912791 GKAXMUOCORICED-UHFFFAOYSA-N 289.335 3.530 30 20 CHED Cc1ccc(CNc2cccc([C@H](C)C(=O)O)c2)cc1C#N 1607783973 IFYYHGCXOILGOL-ZDUSSCGKSA-N 294.354 3.667 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)CC1CCC1 1722544055 PGGWWILADDCMKL-LLVKDONJSA-N 296.846 3.780 30 20 CHED CSC1(CNc2nc3c(cc2C#N)CCCC3)CCC1 227989012 XXIBEAIEDMAAKV-UHFFFAOYSA-N 287.432 3.530 30 20 CHED COCCc1ccc(Oc2ccnc(C#N)c2)c(Cl)c1 1651301717 NVYYEUDGOSLRHL-UHFFFAOYSA-N 288.734 3.588 30 20 CHED CC[C@@H]1C[C@H]1CNc1nccc(Oc2cccc(C#N)c2)n1 1651864107 OPPNLKTYJIOAAV-KGLIPLIRSA-N 294.358 3.599 30 20 CHED Cc1ccccc1SC[C@H](C)CN(C)C[C@@H](C)C#N 1652414432 YMYMZCHQTZSOCV-UONOGXRCSA-N 276.449 3.815 30 20 CHED N#Cc1ccc(F)c(CSc2ccc3[nH]ncc3c2)c1 1652041021 DKPRCVPLWVKQKZ-UHFFFAOYSA-N 283.331 3.866 30 20 CHED Cc1cc(NCC2(c3ccccc3)CCC2)ncc1C#N 1651339505 ZCGAAHGMYGUJBB-UHFFFAOYSA-N 277.371 3.796 30 20 CHED Cc1cc(C)c(CC(=O)Nc2cc(F)cc(C#N)c2)c(C)c1 1596856356 QDEDTTLMLKEWDU-UHFFFAOYSA-N 296.345 3.804 30 20 CHED CCc1ccc(C=NNc2ccc(C(=O)O)c(Cl)c2)o1 1597520103 NSXDEKDWJFTLPZ-UHFFFAOYSA-N 292.722 3.640 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)Cc2ccccc2C)c1 1672775274 ITXHJFUHCLGOHS-UHFFFAOYSA-N 293.370 3.839 30 20 CHED C[C@@H](ON=C1CC[C@H](CC(=O)O)[C@H]1C)c1ccccc1 1776083282 VIYPGOCEPNUZBC-YRGRVCCFSA-N 275.348 3.641 30 20 CHED O=C(O)c1ccc(NN=Cc2cc(Cl)cs2)cc1F 1776075139 PRFCWAJPGRMLHK-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@H](CC)c2ccccc2)C1 1776154595 MROSSHRDOKZTJL-AEFFLSMTSA-N 287.403 3.881 30 20 CHED C=C(C)[C@H](CC(=O)N(CC1CC1)c1ccccc1)OCC 339441588 XTWHXZCKIGXEPZ-KRWDZBQOSA-N 287.403 3.801 30 20 CHED C=CCN(C)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 161864509 CTJOVRVQRPXTPO-LLVKDONJSA-N 285.309 3.528 30 20 CHED C=CCN(C(=O)c1ccc(C)cc1Br)C(C)C 163727599 PHFHRMOVBBDKSE-UHFFFAOYSA-N 296.208 3.794 30 20 CHED N#CCCCC[S@@](=O)[C@H]1CCc2c(Cl)cccc21 154042533 GFJMSQBHMUFPPI-KSSFIOAISA-N 281.808 3.770 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1cc(C)ccc1C 151973469 KAXHOUWIJDNILD-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED C=C(C)CNC(=O)c1cc2ccccc2cc1OC(F)F 153018405 LWYPTEYQZBOJIJ-UHFFFAOYSA-N 291.297 3.747 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccccc2C)cc1 157129544 GDNKMHLMQFHEDA-MRXNPFEDSA-N 279.383 3.858 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1cccc(C)c1 157215779 JVYFUEMJWNSCBI-MRXNPFEDSA-N 279.383 3.858 30 20 CHED C=C(C)CNC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 156668735 WQKNXAJSIKWSKZ-NSHDSACASA-N 289.404 3.575 30 20 CHED CCO/C(CC)=N/Oc1ccccc1C(F)(F)F 1857775724 GYVHOYVYEKNOLM-LFIBNONCSA-N 261.243 3.844 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)cc2)c(Cl)c1 128514876 PXJHAUOYPSZOBJ-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CC(C)Oc1ccccc1CNc1cccc(C#N)c1 37203131 JUEOHIIRGZTWBK-UHFFFAOYSA-N 266.344 3.958 30 20 CHED N#Cc1ccc(CNc2ccc(F)c(F)c2F)c(F)c1 20044853 HIIJBITUXPKEJF-UHFFFAOYSA-N 280.224 3.727 30 20 CHED CC(C)(C(=O)Nc1ccc(CC#N)cc1)C1CCCC1 156048998 GRUHVDBHVMLDKZ-UHFFFAOYSA-N 270.376 3.908 30 20 CHED N#Cc1c(F)cccc1NCc1cc(F)ccc1F 36138501 ZIBGEUVVLSUDJP-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1ccc(NCc2c[nH]nc2-c2cccs2)cc1 37212160 YDJJDUOWQBZMIZ-UHFFFAOYSA-N 280.356 3.622 30 20 CHED CN(Cc1cccc(C#N)c1)c1cccc(Cl)c1C#N 57330190 XGQOHTYGLNPEOU-UHFFFAOYSA-N 281.746 3.720 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CC12CCOCC2 657979572 IXOKODLQRZTGAY-PMPSAXMXSA-N 263.425 3.528 30 20 CHED COc1ccc(C)cc1NCc1ccc(C#N)c(F)c1 190314907 SADIDCYXIJNTPE-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@@H]1CSCCN1c1ccc(C(F)(F)F)cc1C#N 70222504 WUSXWWOCLGIEDE-SECBINFHSA-N 286.322 3.519 30 20 CHED C=C(Br)CSc1ccc(OC)cc1 308283158 YTKZGFSLQDVNJE-UHFFFAOYSA-N 259.168 3.696 30 20 CHED C#CCCCNc1cc(C)c(Br)cc1F 309031606 BZJOKFZPRJHMSV-UHFFFAOYSA-N 270.145 3.722 30 20 CHED C=CCCCN(Cc1ccccc1)C[C@H]1CCCO1 605150009 DLRIGZUFZKPIJR-QGZVFWFLSA-N 259.393 3.634 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc2cc[nH]c12 620858559 JMLKIDGGCXRYDE-UHFFFAOYSA-N 256.349 3.643 30 20 CHED C[C@@H](Nc1ccc(Cl)cc1C#N)c1cncs1 340939437 ZNMIOWQQOLKASF-MRVPVSSYSA-N 263.753 3.841 30 20 CHED C#CCN(Cc1csc(Cl)n1)C1CCCCC1 827516181 NLXXYFDYIHUKRC-UHFFFAOYSA-N 268.813 3.564 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NOCc2ccccc2)o1 839423797 VUZVXHFWBPTLEC-IUODEOHRSA-N 255.317 3.954 30 20 CHED CC(C)(CCc1ccccc1)NCC1(C#N)CCC1 450352331 VMCZKXSADLTZOZ-UHFFFAOYSA-N 256.393 3.681 30 20 CHED C=CCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 6279020 KXEDMYZTWOIGKH-UHFFFAOYSA-N 292.338 3.719 30 20 CHED CCC(CC)=NNC(=S)Nc1c(C)cccc1C 6288186 XSNPFFSBQQSCRR-UHFFFAOYSA-N 263.410 3.766 30 20 CHED CCC[C@H](C)C(=O)Nc1cccc(OCCCC#N)c1 55569217 ZAUWCGHELIZCJI-ZDUSSCGKSA-N 274.364 3.744 30 20 CHED CCCC1CCC(NC(=O)CCc2ccc(C#N)cc2)CC1 55431554 WUOMZNADWWXGBI-UHFFFAOYSA-N 298.430 3.966 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cl)nc1 176336915 XNGOTHNVJIWEEZ-UHFFFAOYSA-N 294.786 3.529 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 109506576 LQNROEBYVKRBQJ-NSHDSACASA-N 276.311 3.838 30 20 CHED CCN(CCCCC#N)Cc1cccc(Cl)c1 102397415 OTJLGECQBRRIJQ-UHFFFAOYSA-N 250.773 3.856 30 20 CHED C=C(C)CS[C@H]1CCN(c2ccccc2Cl)C1=O 177866827 PBNZQSKNWYTSJZ-ZDUSSCGKSA-N 281.808 3.755 30 20 CHED CC(C)(C#N)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1 26724034 NIMKDNFWDLRMGO-UHFFFAOYSA-N 282.303 3.535 30 20 CHED CC(C)n1ccc(CSc2cccc(C#N)c2)n1 177362242 KCMYGRHTCLRZMF-UHFFFAOYSA-N 257.362 3.628 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cccc(C(F)F)c2)c1 171561283 CMMVDKBIDXKORX-UHFFFAOYSA-N 285.293 3.882 30 20 CHED N#Cc1cc(F)ccc1CNC1(c2cccc(F)c2)CC1 179700245 DLQZMCUDSHZGLX-UHFFFAOYSA-N 284.309 3.615 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)c1cccc(F)c1 178636501 GCUAXVNKERHYEJ-LBPRGKRZSA-N 282.318 3.748 30 20 CHED CC(C)(C#N)CCCN1CCSc2ccccc21 174808403 ICAKVKJFNTZGIL-UHFFFAOYSA-N 260.406 3.929 30 20 CHED C#CCCCN[C@@H](C)c1ccccc1OC(F)(F)F 178053802 LBFYYVGTVOFPIQ-NSHDSACASA-N 271.282 3.649 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC2(CCCC2)C1 175749730 YSUVWERURJWTHI-UHFFFAOYSA-N 283.375 3.665 30 20 CHED Cc1cccc(C)c1CCNc1c(C#N)cccc1C#N 302871411 BWWGGPIIXKIXHG-UHFFFAOYSA-N 275.355 3.701 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1c(C)nn(CC)c1C 65722686 RZAIKASGFPKBOF-VAWYXSNFSA-N 298.386 3.815 30 20 CHED Cc1cc(F)cc2c(N3C[C@H]4CCC[C@H]4C3)c(C#N)cnc12 301608499 OTOKAGMBGNXLGC-BETUJISGSA-N 295.361 3.790 30 20 CHED COc1cccc(CCCOc2ccccc2C#N)c1 303879879 OIXPPQSIRHUZOY-UHFFFAOYSA-N 267.328 3.578 30 20 CHED CC(C)n1cc(CNc2cccc(OCCCC#N)c2)cn1 172191715 SXZGMEPYDYLAGQ-UHFFFAOYSA-N 298.390 3.759 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 115984020 YYXNSCJJGBXWEF-UONOGXRCSA-N 297.304 3.688 30 20 CHED C#CCCCNC(=O)N[C@@H](c1ccccc1)C1CCCC1 174114152 TUQXGQCNHXAZHM-KRWDZBQOSA-N 284.403 3.631 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccoc1 1346011017 OFXNXLVAOYYEOW-XFBWCDHKSA-N 281.311 3.559 30 20 CHED Cc1cc(N(C)C)ccc1N[C@H](C#N)C1CCCCC1 115606057 DIIOWNAECUCHNW-QGZVFWFLSA-N 271.408 3.945 30 20 CHED C[C@H](CNc1cccc(F)c1C#N)Oc1cccc(F)c1 301450134 LGBABDRJOSLOJA-LLVKDONJSA-N 288.297 3.716 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC1(CC)CC1 176606719 NDXGETHMZRSUSQ-UHFFFAOYSA-N 278.421 3.636 30 20 CHED C=CCC[C@@H](NCc1ccc2c(c1)OCCCO2)C1CC1 120901131 MWTJFQNZPLTXTC-MRXNPFEDSA-N 287.403 3.682 30 20 CHED C#CCCOc1ccc(CNc2ccccc2)cc1 174285923 DSEJJAQGKGKNLG-UHFFFAOYSA-N 251.329 3.701 30 20 CHED C=CCN1CCC(Nc2nc(-c3ccccc3)cs2)CC1 301597333 GSFNTMQOUKDFDY-UHFFFAOYSA-N 299.443 3.872 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccnc(Oc2ccccc2)c1 185778895 KVQAOCAOBILNJR-UHFFFAOYSA-N 294.354 3.862 30 20 CHED CCCCN1CCC(Nc2c(F)cc(C#N)cc2F)CC1 301351485 IZQFIYAVJSTIEM-UHFFFAOYSA-N 293.361 3.513 30 20 CHED CSc1cccc(C)c1NC(=O)c1cccc(C#N)c1 184613432 YKJRCMOIEJUXES-UHFFFAOYSA-N 282.368 3.841 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@H](C#N)c2ccccc2F)c1 121017263 ULSWZAOSGDABIV-CXAGYDPISA-N 296.345 3.619 30 20 CHED C=CCC[C@H](C(=O)OCc1cnc(C)cn1)c1ccccc1 187467987 JLVLOJDWILJMLI-KRWDZBQOSA-N 296.370 3.578 30 20 CHED N#Cc1ccccc1NC(=O)c1cc(Cl)nc(Cl)c1 37373439 FWGMUMLVBKDLLX-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 125744493 YXHAKKQRWNMDJM-BLLLJJGKSA-N 292.810 3.573 30 20 CHED CCSc1cccc(CN(CCC#N)CC2CC2)c1 186214561 HCJQCVLCBNFRFM-UHFFFAOYSA-N 274.433 3.924 30 20 CHED COc1cccc(C[C@@H](NCC(C)(C)CC#N)C2CC2)c1 414164282 KCVJPDCUEPVOMW-QGZVFWFLSA-N 286.419 3.546 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccc(CCC(F)(F)F)cc1 125163281 SYVNOGUVXJNIAE-LLVKDONJSA-N 298.308 3.556 30 20 CHED Cc1cccc([C@@H](NC(=O)NC[C@H](C)C#N)C(C)(C)C)c1 182702779 UIVBZINRHYGCKW-UKRRQHHQSA-N 287.407 3.541 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 185579401 APQSRJSQMMEMHJ-DOTOQJQBSA-N 269.388 3.585 30 20 CHED N#CC[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 413314381 MREGUVVHDIHFIJ-RYUDHWBXSA-N 296.330 3.637 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C2[C@@H]3CCC[C@@H]23)CC1 183906595 IHZQYIWLDWKWIJ-OOWFEOPPSA-N 288.435 3.647 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](CC)SC)c1 129327705 FXBNFGIOEDBUTE-CQSZACIVSA-N 279.405 3.722 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 188245202 MEMDEHNCKSNSJC-GFCCVEGCSA-N 258.365 3.862 30 20 CHED C[C@H](CC(=O)N(C)[C@H](C)C#N)c1cccc(C(F)(F)F)c1 410883039 KZTUXUSWQMEBFZ-GHMZBOCLSA-N 298.308 3.569 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(F)cc1F 186317616 ZVLIHCLYRPJZDY-LBPRGKRZSA-N 286.325 3.996 30 20 CHED COc1cc(F)ccc1NCc1ccc(Cl)cc1C#N 187713667 CSEYKVVRPVQMND-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](CC)c1ccccc1 413585431 FJYRHERQPSDPFB-AWEZNQCLSA-N 260.381 3.649 30 20 CHED C=C(C)CN(CC)Cc1c(Cl)cccc1OC 505859550 YHJPRUVWAUPIDS-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C=C(C)[C@H](NC(=O)c1cc[nH]c1C)c1ccc(F)c(F)c1 186066939 YCGMNYKTQRAYMM-HNNXBMFYSA-N 290.313 3.649 30 20 CHED CCN(C[C@H]1CCC(C)(C)O1)[C@@H](C)c1ccc(C#N)cc1 184651368 YUOWKNAGNAXTHI-WMLDXEAASA-N 286.419 3.899 30 20 CHED Cc1cc(OCC2(C#N)CCC2)c2ccccc2n1 418965655 UMGVINJINNVANM-UHFFFAOYSA-N 252.317 3.616 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)CCCOC 182854348 HLGYXEPIYOMJBG-OAHLLOKOSA-N 281.440 3.644 30 20 CHED C=C(C)CCc1noc([C@@H](C)OCc2ccccc2)n1 508617317 GUOBZIGXUBAHKL-CYBMUJFWSA-N 272.348 3.856 30 20 CHED Cc1cccc([C@H]2CCCCCN2C(=O)NC[C@H](C)C#N)c1 182760144 UCXWZODOPVULTM-NVXWUHKLSA-N 299.418 3.781 30 20 CHED CC[C@@H](CC#N)NCc1cnc(C2CCCC2)s1 184097595 VFHXAUPGFRZZLJ-LBPRGKRZSA-N 263.410 3.583 30 20 CHED C[C@H](SC[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(C#N)c1 419459672 DHXMLSCFLGETFU-AEAUEXCSSA-N 273.401 3.920 30 20 CHED C=C(C)CCc1noc([C@H]2C[C@H]2c2ccc(F)cc2)n1 508633547 SZRDZEFFMIWVQH-KBPBESRZSA-N 272.323 3.989 30 20 CHED C=C(Cl)CNC(=O)[C@H](c1ccccc1)[C@@H](C)CC 134810679 FMMUOIOLPYZWKX-FZMZJTMJSA-N 265.784 3.685 30 20 CHED Cc1oc2ccccc2c1C/N=C(/O)[C@H]1CCCC(O)=N1 328828893 UIDXMFZBNUDVBN-CYBMUJFWSA-N 286.331 3.707 30 20 CHED CC[C@@H](/N=C(/O)[C@H]1CCCC(O)=N1)c1cccs1 328771175 CTMUCLVXIRUFOI-NXEZZACHSA-N 266.366 3.665 30 20 CHED C#Cc1cccc(NCc2ccc(OCC(F)F)cc2)c1 130433020 ZAMIZNNSGWSERR-UHFFFAOYSA-N 287.309 3.924 30 20 CHED CCCCc1ccc(CC(=O)[C@H](C#N)c2ccccn2)cc1 41493363 VPIIWUGEUFMEKV-QGZVFWFLSA-N 292.382 3.843 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2ccc(C)s2)o1 83535684 SEXRFWFDHHEYSU-FNORWQNLSA-N 290.340 3.722 30 20 CHED C[C@H](C/C(O)=N/[C@@H]1CCc2c[nH]nc2C1)C1CCCCC1 329879192 LXDJCVOYFAJVAO-IUODEOHRSA-N 289.423 3.830 30 20 CHED Cc1c(C)n(C)c2ccc(OCC3(C#N)CCC3)cc12 421194054 GDKKNTNYLNMPJP-UHFFFAOYSA-N 268.360 3.868 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 192056083 JASFQLYDUYKOOX-ZDUSSCGKSA-N 299.370 3.812 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccc(-c2ccccc2)o1 193055804 QXJXQDPEMNOYNY-VQHVLOKHSA-N 278.311 3.576 30 20 CHED N#Cc1csc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c1 84108008 KMOOWXJCHAGLLH-INIZCTEOSA-N 296.395 3.891 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 425449962 KADLFQQWCMGUGJ-VNQPRFMTSA-N 291.439 3.727 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@@H]1C 45603475 IRRIKBWZABIHDC-ONGXEEELSA-N 269.797 3.572 30 20 CHED N#Cc1cccc(CN(CCC(F)(F)F)CC2CC2)c1 84137890 AZIBCSQGBDMQED-UHFFFAOYSA-N 282.309 3.723 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2c(C)noc2C(C)C)c1 335116514 HSWNTNAAKCXYCZ-UHFFFAOYSA-N 283.331 3.539 30 20 CHED CCCc1nc(CN[C@H](C)c2cccc(C#N)c2)cs1 611386318 LZXWLAKQGYIGAJ-GFCCVEGCSA-N 285.416 3.818 30 20 CHED C[C@@H](NCc1c(F)cccc1F)c1cccc(C#N)c1 611438646 UBCYQQHPBQPLNP-LLVKDONJSA-N 272.298 3.687 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC(C)(C)C 425410002 XAISSKVYNOABEN-CYBMUJFWSA-N 287.407 3.697 30 20 CHED C=CC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 335745433 YZIHTBCSYSJFCL-UHFFFAOYSA-N 289.341 3.780 30 20 CHED N=C(O)C[C@H](/N=C(/O)[C@H]1CCCOCC1)C1CCCCC1 330144908 RZBMZQODMIFXIH-KBPBESRZSA-N 296.411 3.634 30 20 CHED C=CCN(CC=C)C(=O)C(C)(C)c1ccccc1Cl 193126256 NNHUREOECTZBBS-UHFFFAOYSA-N 277.795 3.818 30 20 CHED C#CCSCCNCc1c(Cl)oc2ccccc12 230347376 JDRLXFXTDLRTPG-UHFFFAOYSA-N 279.792 3.542 30 20 CHED COc1ccccc1CNc1c(C#N)cnc2ccccc12 97393457 UJKHGCRFTQVKDQ-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1cccc(C)c1C 510092407 QVLFWZBCRNZPBZ-UHFFFAOYSA-N 278.355 3.842 30 20 CHED CC[C@@H](C#N)NC(=O)c1c(Cl)ccc(Cl)c1Cl 90501732 GFCQPIAAOSUNMK-LURJTMIESA-N 291.565 3.679 30 20 CHED CCc1cccc2c(CCNc3cnccc3C#N)c[nH]c12 94157949 AFVBTUUGZLNDES-UHFFFAOYSA-N 290.370 3.652 30 20 CHED C=CCC[C@H](N[C@H](C)c1cnn(C)c1)c1ccccc1 90580668 JMNKDFGYDNHDRI-PBHICJAKSA-N 269.392 3.778 30 20 CHED C/C=C/c1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 336285948 RJDBPFLOPYOWFW-XVEJUIQISA-N 269.348 3.533 30 20 CHED Cc1cc(NC(=O)N2CCC(CCC#N)CC2)ccc1F 335382371 ZHUXOQSGSGRBQE-UHFFFAOYSA-N 289.354 3.682 30 20 CHED CNc1ccc(Cl)c(/C(O)=N/[C@H](C)C2CCOCC2)c1 330649652 HFQBHPOXXSCOOW-SNVBAGLBSA-N 296.798 3.501 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H](C)C1CCCCC1 512730138 PJWWPWLWJZPCJQ-YOEHRIQHSA-N 281.440 3.642 30 20 CHED C[C@H]1CC(C(=O)N2CCCC(C)(C)[C@@H]2C#N)C[C@H](C)C1 434017890 VCCMQROAKYATQA-NFAWXSAZSA-N 276.424 3.599 30 20 CHED CC1=C(C(=O)Nc2cccc(OCCCC#N)c2)CCC1 437225611 DGQMRTJPGRLZHO-UHFFFAOYSA-N 284.359 3.808 30 20 CHED CSCc1ccccc1N/C(O)=N/[C@@H]1CCC[C@H]1C#N 330898071 OQSBCPWRBYAGKZ-WCQYABFASA-N 289.404 3.568 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2ccc(C#N)s2)c1 336582646 RYDSSAYOKTXGIK-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=C[C@H](CC(=O)N(C)C(C)(C)CC)c1ccccc1 527444356 WDAPQMASNQHMLY-CQSZACIVSA-N 259.393 3.993 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc(C2CC2)nc2ccccc12 524233790 YVEYRBBWXPTCOA-GOSISDBHSA-N 293.370 3.534 30 20 CHED CC[C@](C)(NCCCC(C)(C)C#N)C(F)(F)F 533066667 CTCLMGWQFCKTBS-NSHDSACASA-N 250.308 3.637 30 20 CHED CC1(C)CCCN(C(=O)CCCC2CCCC2)[C@@H]1C#N 434032622 RPGIATXNPVFARY-OAHLLOKOSA-N 276.424 3.888 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](C)C1 345056339 HVHLVNYOEWZHHU-PBHICJAKSA-N 284.403 3.731 30 20 CHED N#Cc1cccc(Sc2nccc(C#N)c2Cl)c1 342541533 DUOWTEUYHMAUPJ-UHFFFAOYSA-N 271.732 3.630 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(Cl)o2)no1 349691230 KBRJMTFBDNRYAB-UHFFFAOYSA-N 260.627 3.651 30 20 CHED Cc1nc(CSCCC(C)(C)C#N)c(C)s1 342010670 BPZYJJITRLDKCM-UHFFFAOYSA-N 254.424 3.933 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C(C)=O)o1 347882238 QCHUFKQEQFZXJW-UHFFFAOYSA-N 297.354 3.701 30 20 CHED C[C@@H](NC(=O)C1C[C@H]2CCC[C@H](C1)C2)c1ccc(C#N)cc1 435567312 ZDLOSYJDKFBNJC-KBMXLJTQSA-N 296.414 3.952 30 20 CHED C=CCOCCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 347964858 LMRBEPVDEQPJBA-PBHICJAKSA-N 289.419 3.960 30 20 CHED C=C(C)CS(=O)(=O)N[C@@H](CC(C)C)c1ccccc1C 435439082 RBDDUTVDYVILOB-INIZCTEOSA-N 295.448 3.578 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)c3ccccc3n2)s1 345015699 HMHBWXBKWSZDFT-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#CC1(CSCc2ccccc2OC(F)F)CC1 344484409 NTTHUHRNDWWCEH-UHFFFAOYSA-N 269.316 3.825 30 20 CHED C=CCCC1(C(=O)Nc2cc(C(=O)CC)ccc2O)CC1 436659483 RLURPRNGHSQYBB-UHFFFAOYSA-N 287.359 3.670 30 20 CHED Cc1sccc1NC(=O)N(CCC#N)CCC(C)C 603096162 ZXXCQPSEOZNRCR-UHFFFAOYSA-N 279.409 3.850 30 20 CHED COc1ccc(/C=C\C(=O)C2CCCCC2)cc1OC 255330164 OZQILAGXYRTTRW-NTMALXAHSA-N 274.360 3.866 30 20 CHED COc1ccc([C@H]2CCCC[C@H]2NCCCC#N)cc1F 346827336 JCUKXUVCLGJCKH-GDBMZVCRSA-N 290.382 3.754 30 20 CHED CC(C)Oc1cccc(COc2cccc(C#N)c2)c1 603743229 DHHAULHCRPXHOD-UHFFFAOYSA-N 267.328 3.924 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)CCC1CCCCC1 604248059 YULISGVYQGXEPP-LSDHHAIUSA-N 281.440 3.833 30 20 CHED COc1ccccc1CCCN1CCCC(C)(C)[C@H]1C#N 444723742 ATBPDVYBKRQVPH-QGZVFWFLSA-N 286.419 3.642 30 20 CHED CCC[C@@H](C#N)NC(=O)CCCCc1ccc(C)cc1 522587593 RGYAGMLGDCQRPD-INIZCTEOSA-N 272.392 3.516 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)O[C@@H](C#N)C1CC1 255597761 JUZSNVCXZLGSTF-RNVIBTMRSA-N 275.735 3.589 30 20 CHED C=C(CNC(=O)N[C@H](C)CCC1CC1)c1ccccc1 355220463 TVWBALWVSJILIQ-CQSZACIVSA-N 272.392 3.578 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccccc1C#N 255625736 PDIAQIUICQYOSN-HJWRWDBZSA-N 277.323 3.771 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2cc[nH]c2c1 182632839 RWVJTOBTCQUJJY-LBPRGKRZSA-N 256.349 3.643 30 20 CHED CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CCOCC1 539610073 OOHDPAVBOFGPPJ-SJKOYZFVSA-N 290.382 3.553 30 20 CHED C=CCCC1(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 354788265 PXKNQHPPRQFWLB-UHFFFAOYSA-N 295.386 3.616 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)NCC(C)(C)CCC#N 353333488 YNGLGAZRLUQEQB-CABCVRRESA-N 293.455 3.832 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 355285655 WKQOCKMRITZFOS-HUUCEWRRSA-N 273.351 3.544 30 20 CHED C=C1CCN(Cc2c(C)nn(Cc3ccccc3)c2C)CC1 353323070 XVJLODKLWAUXDC-UHFFFAOYSA-N 295.430 3.700 30 20 CHED N#Cc1csc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1 355848976 WZPNLERPPRYCKC-UHFFFAOYSA-N 292.323 3.818 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OC)c(F)c2)CC1 354581063 FAVRMRWLVMJCPH-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C=CC1CCN(Cc2cc3cc(OC)ccc3o2)CC1 538729890 GOYJADQSPFPQEW-UHFFFAOYSA-N 271.360 3.839 30 20 CHED CC(C)OC1CCC(NCc2ccc(C#N)cc2F)CC1 611039290 OKCNLIVECNZBLV-UHFFFAOYSA-N 290.382 3.523 30 20 CHED CCn1nc(N[C@H](C)c2ccc(C#N)cc2)cc1C1CC1 267462395 ORNOBHVYSPYCRV-GFCCVEGCSA-N 280.375 3.825 30 20 CHED C=CCC1(NC(=O)CCc2ccccc2F)CCCC1 619106100 LWEFSCUWMXZXLP-UHFFFAOYSA-N 275.367 3.763 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc3cc[nH]c3n2)no1 445581102 XVSBTHSUZBGFQR-UHFFFAOYSA-N 280.331 3.849 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@@](C)(C#N)C2)c1 612122622 YQUZOWUGJPFYNO-YJBOKZPZSA-N 299.418 3.700 30 20 CHED C[C@@H]1COc2ccccc2CN1CCCCC(C)(C)C#N 444690975 WIAHIILKINTTOD-OAHLLOKOSA-N 286.419 3.990 30 20 CHED COc1ccc(C#N)cc1CN(C)CCCc1ccccc1 535330506 QMLRLDXZBPOJJR-UHFFFAOYSA-N 294.398 3.631 30 20 CHED CC(C)c1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)s1 354762690 DASFZLANAHIBEF-NSHDSACASA-N 276.405 3.636 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NCc1ccc(C#N)s1 538413131 XKBKVMCZGANCEK-FZMZJTMJSA-N 262.422 3.924 30 20 CHED CC[C@@H](C)CC(=O)N(CC(C)C)c1ccc(C#N)cc1 359418284 IMCHJMKOEKUCKX-CQSZACIVSA-N 272.392 3.983 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCCSCC#N 354827167 GNLNBFZSUDDDFZ-STQMWFEESA-N 292.423 3.780 30 20 CHED C=CCc1ccc(OCCc2c(C)noc2C)c(OC)c1 358689968 MGDXHKBGDDURQK-UHFFFAOYSA-N 287.359 3.650 30 20 CHED C=CCCOCCNC(=O)[C@H](CC(C)C)c1ccccc1 534571455 HORSMCOVGYUVFB-QGZVFWFLSA-N 289.419 3.525 30 20 CHED N#Cc1ccc(N2CCc3ccc(O)cc3CC2)cc1Cl 615698495 IHGQQDPDHZWYBC-UHFFFAOYSA-N 298.773 3.522 30 20 CHED N#C[C@H](NC(=O)CCC1CC1)c1c(Cl)cccc1Cl 265339243 VETOQMSIYNFVTE-LBPRGKRZSA-N 297.185 3.864 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C1CC1)[C@H](C)C(C)C 539463117 GAYKQOKXXSEGDM-UONOGXRCSA-N 266.429 3.950 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCCC(C)(C)[C@H]1C#N 451198190 BLZCDGFEMHGMST-QLFBSQMISA-N 276.424 3.744 30 20 CHED N#CCCCC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 360465722 FDSAOGIEVOENKQ-DLBZAZTESA-N 278.355 3.506 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccc(C#N)nc2)c1 267439258 YMFDJJLDEJNODQ-QGZVFWFLSA-N 263.344 3.603 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3cccnc32)cc1Cl 619754665 HANKIWNOPFQYEK-MRXNPFEDSA-N 297.789 3.774 30 20 CHED C=CCC1(C(=O)N[C@@H]2COc3ccc(F)cc32)CCCC1 450661052 MTRAEBCFCWMJSK-CQSZACIVSA-N 289.350 3.512 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(CCC(C)C)c1C 540532062 IUAXBJPLXIRWGQ-CQSZACIVSA-N 291.439 3.712 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 540526968 ZHNWSGMKPSZBBO-NEPJUHHUSA-N 297.345 3.593 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2ccc(F)c(F)c2)nc1 363403460 BLFDURKRJGZUNY-OAHLLOKOSA-N 285.297 3.573 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 270411540 LNOCRDMUUNMBPM-ROUUACIJSA-N 296.414 3.725 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)N1CC=CCC1 611517937 YSFPVEWJDOVNBT-UHFFFAOYSA-N 288.350 3.627 30 20 CHED C=CCN(C(=O)N[C@@H](c1ccccc1)C(F)(F)F)C1CC1 547842519 IVVZOUSKVLDRRF-ZDUSSCGKSA-N 298.308 3.650 30 20 CHED C[C@H](F)CCNc1nc2c(cc1C#N)CCCC2(C)C 549616916 FVRGGNLAMBESJQ-NSHDSACASA-N 275.371 3.727 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1ccc(F)cc1C 456862414 XTAXLSVVSFRODK-KRWDZBQOSA-N 287.378 3.991 30 20 CHED CC[C@@H](NCCOC(C)(C)CC)c1ccc(C#N)cc1 453407156 LRELTYKXMPBWRI-MRXNPFEDSA-N 274.408 3.804 30 20 CHED CCc1ccc([C@@H](Nc2nccc(C#N)n2)C(C)C)cc1 450225943 IPXZSRDPHIKWKH-INIZCTEOSA-N 280.375 3.720 30 20 CHED Cc1ccc(CN(C(=O)CC(C)(C)C#N)C2CC2)cc1C 278314172 JEBGEUDCAGWDDD-UHFFFAOYSA-N 284.403 3.734 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCC(C)(C)CC#N 458578051 HPCBNSCAZCNLDY-CZUORRHYSA-N 299.418 3.549 30 20 CHED N#Cc1c(Cl)cccc1N1CCC(OCC2CC2)CC1 450363866 LFCYLBZHAIRZTF-UHFFFAOYSA-N 290.794 3.607 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CCCc2ccccc21 274313605 ISQNMRXZRMAOMK-QAPCUYQASA-N 284.403 3.551 30 20 CHED C=CCN(C(=O)Nc1cccc(-c2ncco2)c1)C1CC1 271403261 LUVLNTMCTHPDPL-UHFFFAOYSA-N 283.331 3.524 30 20 CHED CC(C)C(C)(C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 275818567 NNZGAHVXMPVOAX-ZDUSSCGKSA-N 278.783 3.703 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)C1(C)C 463487469 WKDSFVMHGUHJJV-QWHCGFSZSA-N 293.798 3.611 30 20 CHED Cc1cccc2c1N(Cc1ccc(CC#N)cc1)CC2 542210819 BWIMZZDTXOVKBZ-UHFFFAOYSA-N 262.356 3.624 30 20 CHED CC#CCOc1ccc([N+](=O)[O-])cc1-c1cccs1 463426610 PALOEZCMVSIINT-UHFFFAOYSA-N 273.313 3.725 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@@H](c2ccccc2)CC1 375666512 WMWCATHIZNCLCP-SJLPKXTDSA-N 284.403 3.723 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](c2ccco2)C1)c1ccccc1 371372212 FQCAUESQTCPWBT-WBVHZDCISA-N 295.382 3.955 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(F)cccc1Cl 549168999 RCIXEKKVXOTEQU-UHFFFAOYSA-N 270.735 3.909 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(CCC(F)(F)F)c1 465235736 FVWVOGHOZZKDOJ-JTQLQIEISA-N 286.297 3.878 30 20 CHED Cc1coc(C)c1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 284057811 UYDMASOQLACHIK-UHFFFAOYSA-N 296.370 3.819 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 465116461 ANGDCVHOFXNJIY-STQMWFEESA-N 283.371 3.643 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(OC(C)C)c(C)c1 285762563 ROONHXXGTAUACR-INIZCTEOSA-N 274.364 3.661 30 20 CHED CN(Cc1cccc(F)c1)c1c(Cl)cccc1C#N 462921672 CTKNRUGTBXHBNG-UHFFFAOYSA-N 274.726 3.987 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(N(C)C)cc1C 281232745 DWOHKWLBRAYJDS-CYBMUJFWSA-N 275.396 3.537 30 20 CHED CCCC[C@@H](CC)CC(=O)NCc1cc(C#N)ccc1F 464038730 JZCUFIOYLSKMNN-CYBMUJFWSA-N 290.382 3.920 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC2 371604175 CHMNTAZGUMNWFF-IHRRRGAJSA-N 299.374 3.526 30 20 CHED C=CCCCCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 556226359 HANQZVKANWMOFH-IFXJQAMLSA-N 279.449 3.773 30 20 CHED N#CC1(CCCOc2cccc(Cl)c2)CCOCC1 281502938 YFQSYJHCHSEYIC-UHFFFAOYSA-N 279.767 3.819 30 20 CHED Cc1nsc(N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1C#N 557630170 GGKLWERRGIQAMJ-ZFWWWQNUSA-N 297.427 3.781 30 20 CHED CC1CCC(CNC(=O)[C@H](C)c2cccc(C#N)c2)CC1 461927222 JXGVRKCXOQZOCO-SHARSMKWSA-N 284.403 3.604 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(F)c2ccccc12 280393863 QRUNKZGKJCKUTA-OAHLLOKOSA-N 284.334 3.647 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2cc(C#N)c3ccccc3n2)C1 554775579 DRPMLMBISUZFOB-CHWSQXEVSA-N 293.370 3.871 30 20 CHED C=C(C)[C@H](CC(=O)N(CCCC)c1cccnc1)OCC 637519263 NARSUMNSBYAXEK-INIZCTEOSA-N 290.407 3.586 30 20 CHED C=CCCCCNC(=O)c1ncoc1-c1ccc(F)cc1 471708446 DUSOOTRONUSLQL-UHFFFAOYSA-N 288.322 3.567 30 20 CHED CCc1ccc(C(C)(C)CNC(=O)[C@](C)(C#N)CC)cc1 556902783 WDSQSKLWKVKUAP-SFHVURJKSA-N 286.419 3.583 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc(C)cnc1OC 472846623 HVVVGTODYHNBJD-UHFFFAOYSA-N 291.395 3.609 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@@H](c2ccccc2)C2CC2)C1 293991974 CAFTXVKVUFXQEZ-OLMNPRSZSA-N 268.404 3.852 30 20 CHED C[C@@H]1CC(=NNc2cnc3ccccc3n2)c2ccccc21 807967713 ALRHPHDQAQFAKT-GFCCVEGCSA-N 288.354 3.953 30 20 CHED CO[C@@]1(C)CC(=NNc2ccc([N+](=O)[O-])cc2C)C1(C)C 807990216 XXYPLVYBTIDBFA-HNNXBMFYSA-N 291.351 3.506 30 20 CHED COc1cc(CSCCO[C@H](C)C#N)ccc1SC 802753190 WZRWFFUTUVMEII-LLVKDONJSA-N 297.445 3.579 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1csc(C)c1 296292473 DEJIDQJUEKVXMI-IPYPFGDCSA-N 265.422 3.688 30 20 CHED O=C1/C(=C\c2ccsc2)C[C@@H](C(=O)O)c2ccccc21 806560462 MDBCKQYVXIZHJU-SMJHDNPOSA-N 284.336 3.586 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 563837188 TUGDXOZYRJOWJD-RBSFLKMASA-N 281.440 3.641 30 20 CHED C[C@H](CCC#N)N1CC=C(c2ccc(F)cc2)CC1 297811256 IMMBUYLQGGBEDO-CYBMUJFWSA-N 258.340 3.607 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCC[C@@H](SCC)C1 474042836 YESJABWFRSUSLU-UONOGXRCSA-N 284.469 3.706 30 20 CHED C=C[C@](C)(CCOC)C(=O)NC1CCC(CCC)CC1 473690976 MADKWKWWRSTDNL-VMBOVVBDSA-N 281.440 3.690 30 20 CHED C#C[C@@H](NC/C=C\c1ccc(F)cc1F)C(C)(C)C 809782901 KLNWGIVRXATOKW-IDTUSYRASA-N 263.331 3.616 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H](C)c1c[nH]c2ccccc12 292444888 NBUIFWSSDSVVPU-AWEZNQCLSA-N 295.386 3.590 30 20 CHED CC(C)(C)CCCCC(=O)NCC#Cc1ccccc1 561029799 HPQZLWXUWIGYGY-UHFFFAOYSA-N 271.404 3.761 30 20 CHED CC[C@H](CC#N)NCCCSCc1ccccc1 563368007 SVONHYUCHPTRCC-OAHLLOKOSA-N 262.422 3.592 30 20 CHED CCCCc1nc(CSc2ccc(C#N)cc2F)no1 562199218 OYNBBNKTTXEKSE-UHFFFAOYSA-N 291.351 3.715 30 20 CHED C=CC[C@H](NC(=O)N(C)[C@H](C)CCCC)c1ccncc1 812047861 JXKYUALLDHJRFB-ZBFHGGJFSA-N 289.423 3.919 30 20 CHED COc1cc(C#N)cc(OCc2ccccc2OC(C)C)c1 486107785 IJTZTIOBLUCYIY-UHFFFAOYSA-N 297.354 3.933 30 20 CHED C(=NOCc1cccnc1)c1ncc(-c2ccccc2)s1 811645667 VIZHUAGLIKUWLM-UHFFFAOYSA-N 295.367 3.756 30 20 CHED N#Cc1cccnc1/C=C\c1ccc(Cl)c(F)c1 486054884 RGWUFZWYKGKRGG-XQRVVYSFSA-N 258.683 3.916 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(C(C)C)cc1 486220600 VNPALDAHXMSAGQ-UHFFFAOYSA-N 260.381 3.528 30 20 CHED CCCCC[C@H](C)NC(=O)Nc1ccc(F)cc1C#N 818377840 LUFCFWACUUBWNF-NSHDSACASA-N 277.343 3.788 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(-c2ccccn2)nc1 649903700 UEDIXZKXCHVICB-CQSZACIVSA-N 295.386 3.618 30 20 CHED CC#CCCCC(=O)OCc1ccc(C(C)C)nc1C 815233726 SRBKAIRYXZTFDS-UHFFFAOYSA-N 273.376 3.750 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=NN[C@@H]3CCCOC3)c2c1 811649028 YEZTUQXOXMVINA-OAHLLOKOSA-N 299.418 3.568 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)CCCC#N 812481717 OIBXJJXWFFNQCB-ZIAGYGMSSA-N 264.413 3.649 30 20 CHED CC[C@H]1C[C@H](C)CN1Cc1ccc(Cl)cc1C#N 480550107 FQUWRRGUOOZISJ-NHYWBVRUSA-N 262.784 3.832 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(C#N)c(C)n2)C1 488089897 PSUYYSZTCMZPCW-PBHICJAKSA-N 291.398 3.953 30 20 CHED CC#CCCN[C@H]1CC=C(c2ccc(F)cc2)CC1 482166288 SVNGPOQPOCDRBE-KRWDZBQOSA-N 257.352 3.765 30 20 CHED CCCCCCCC(=O)NCc1c(CC)noc1C 817998241 GGHQJIAMHMICFY-UHFFFAOYSA-N 266.385 3.522 30 20 CHED Cc1ccc2sc(C(=O)O[C@H](C#N)C(C)C)cc2c1 810563716 RBACIEWOGRJKOU-GFCCVEGCSA-N 273.357 3.915 30 20 CHED CC(C)(C)C1CCC(OC(=O)c2cccc(C#N)n2)CC1 810547732 HFCSACKFDLCGPR-UHFFFAOYSA-N 286.375 3.715 30 20 CHED N#Cc1ccc(CCNc2ccc3c(c2)CCCC3=O)cc1 656652951 QVDJMYALACOMEY-UHFFFAOYSA-N 290.366 3.732 30 20 CHED Cc1cc(Cl)cc2c1OCC2=NOCCC(F)(F)F 814910504 WBFPDAHGTUGURC-UHFFFAOYSA-N 293.672 3.714 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 815841106 RHLZUMIYLPUMDI-CYBMUJFWSA-N 279.330 3.737 30 20 CHED C#CCOc1ccccc1NC(=O)N(C)[C@H](C)CCCC 810209299 BZIRKZNJEVXWKZ-CQSZACIVSA-N 288.391 3.741 30 20 CHED Clc1cccc(C=NNC[C@@H]2CCSC2)c1Cl 811659462 SSDUVESCVSJRCO-VIFPVBQESA-N 289.231 3.670 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc2c(s1)CCCC2(C)C 812319163 XHRGTMQCIMSITI-UHFFFAOYSA-N 290.432 3.745 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H](C)c2ccc(C)cc2)no1 579888722 KHANZFAPWWAZDJ-NUEKZKHPSA-N 298.386 3.978 30 20 CHED N#Cc1ccc(CN(CC2CCC2)CC2CC2)cc1F 483290366 PDZXFGFLGIBJDW-UHFFFAOYSA-N 272.367 3.709 30 20 CHED CC(C)(C)C1CC(NC(=O)N2CCC(CCC#N)CC2)C1 573559594 NHBIXMLBUSNIPP-UHFFFAOYSA-N 291.439 3.536 30 20 CHED C=C(C)CNC(=O)N1CCCC2(CCCCCC2)C1 488595605 XTTPGCIXAMEAKM-UHFFFAOYSA-N 264.413 3.709 30 20 CHED CCOc1ccc(C=Nc2ccc(OC)cc2C)c(O)c1 727061002 DRHXMLRQNWWHQN-UHFFFAOYSA-N 285.343 3.859 30 20 CHED C=CCC(C)(C)CN[C@H]1Cc2[nH]c3ccccc3c2C1 576689632 WCXRAUOYCUUGIU-CYBMUJFWSA-N 268.404 3.827 30 20 CHED C[C@H](C#N)Oc1ccccc1NC1CCC(C)(C#N)CC1 824135702 RSTQIYZEBKQRQC-TUBUQKNSSA-N 283.375 3.862 30 20 CHED CC#CCCNC(=O)C1(Cc2cccs2)CCCCC1 574557497 SRFHHNUBXPKDAF-UHFFFAOYSA-N 289.444 3.771 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H]1CSCCS1 823979201 GUBLRBJMHMPGQZ-CHWSQXEVSA-N 259.484 3.560 30 20 CHED C=CCN(C)C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 490039915 WIBBCTHNPWAIMZ-AWEZNQCLSA-N 275.392 3.530 30 20 CHED C=CCC1(NCc2ccnc(Cl)c2F)CCCC1 827370517 FYUMJSRWMXOOBH-UHFFFAOYSA-N 268.763 3.853 30 20 CHED CCCCCCCCCC(=O)Nc1cnc(C)nc1 728478876 LIYMEZVUKFLFRU-UHFFFAOYSA-N 263.385 3.864 30 20 CHED C=C(C)CNC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 490030762 HOWMVQARVKZHOK-CQSZACIVSA-N 275.392 3.578 30 20 CHED COc1cc(C#N)ccc1COc1ccc(C(C)=O)cc1C 499320677 ULVYEAZHQLDCGQ-UHFFFAOYSA-N 295.338 3.657 30 20 CHED CC(C)n1cc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cn1 582994184 OGSAFEWLMKSDRZ-UGSOOPFHSA-N 294.402 3.674 30 20 CHED CC(C)c1ccc2cc(C(=O)N(C)[C@@H](C)CC#N)[nH]c2c1 728874068 MOVVVOQYNMBNHV-LBPRGKRZSA-N 283.375 3.665 30 20 CHED C=CCOC(=O)c1ccccc1SC(F)(F)F 584591484 JPHCEDJJCDALKP-UHFFFAOYSA-N 262.252 3.641 30 20 CHED C=CCCNC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 661569602 BPSMTMOPQCLKQA-GFCCVEGCSA-N 295.452 3.853 30 20 CHED N#Cc1cccc(COC(=O)/C=C/C2CCCCC2)c1 735560506 ACTYHBDUYRINTG-MDZDMXLPSA-N 269.344 3.738 30 20 CHED Cc1cc(Cl)cc([C@H](C)NCC(C)(C)C#N)c1O 903102296 VTMWXDMMVVATMP-JTQLQIEISA-N 266.772 3.554 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)c1cccs1)c1ccncc1 737854481 HWRMDSDQOXKWPZ-TZMCWYRMSA-N 286.400 3.680 30 20 CHED C#C[C@@H](N[C@H](C)c1ccccn1)c1ccc(Cl)cc1F 491768659 ISVSHQUGBQJFHK-IAQYHMDHSA-N 288.753 3.899 30 20 CHED Cc1cccc(CCC(=O)Nc2ccccc2CC#N)c1 582809226 KXQBTDGJYJEIDF-UHFFFAOYSA-N 278.355 3.632 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C1CC1)C(F)(F)F 582627695 BAIPUEGHTDIQPT-LBPRGKRZSA-N 292.345 3.715 30 20 CHED C=C(Cl)CN1CC2(CCOCC2)[C@H]1c1ccccc1 839648789 BVQRESUPQKDQLS-OAHLLOKOSA-N 277.795 3.593 30 20 CHED CC(C)(C)CC=NNc1ccc(C(=O)O)c(Cl)c1 833429236 HBPXMGKEHMDLGP-UHFFFAOYSA-N 268.744 3.872 30 20 CHED C=C(C)CN(C)C(=O)NC1CCC(C2CCC2)CC1 667202546 OYPPSUIIZWPEJG-UHFFFAOYSA-N 264.413 3.563 30 20 CHED c1ccc2c(NN=C3CCC[C@@H](C4CC4)C3)nncc2c1 737418959 ZHUJSQOHMHSMFQ-CYBMUJFWSA-N 280.375 3.998 30 20 CHED C#CCOc1cccc(OC(=O)[C@@H](C)SCCCC)c1 730500454 LIKGKFQPJWNTIN-CYBMUJFWSA-N 292.400 3.526 30 20 CHED Fc1cccc2c1CCC2=NNc1c(F)cccc1F 735619378 LVYSLZVHTHKMPY-UHFFFAOYSA-N 276.261 3.866 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 836785363 NHJHBPINNBQROA-ADEWGFFLSA-N 296.197 3.577 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(C(F)(F)F)cn1 902871410 NTTAEVDUJJCSRB-QMMMGPOBSA-N 264.678 3.504 30 20 CHED C=CC[S@@](=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 905169231 WJWDZIOXOKJKGQ-VXJOIVPMSA-N 263.189 3.989 30 20 CHED CCCCO[C@H]1C[C@H](NC(=O)CCCCCC#N)C1(C)C 588160372 JUPFEACMXCGRSK-GJZGRUSLSA-N 294.439 3.560 30 20 CHED Cc1nn(-c2ccccc2)c(CSCC2CC2)c1C#N 589651307 USECEIVBTCKWJW-UHFFFAOYSA-N 283.400 3.696 30 20 CHED CC(C)Oc1ccccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839049426 JAYVEWKAOPNBCS-ZIAGYGMSSA-N 287.359 3.713 30 20 CHED Cc1cc(Cl)ccc1/C=C\C(=O)c1ccncc1 588477031 ZIJJIBWPJMIDPU-HYXAFXHYSA-N 257.720 3.940 30 20 CHED CCOc1cccc(C=NN=c2cc[nH]c3ccccc23)c1 730147947 LCZWMGMPGKZXAQ-UHFFFAOYSA-N 291.354 3.501 30 20 CHED C=CCOc1cccc(NC(=O)c2c[nH]nc2C(C)(C)C)c1 583919981 WPCRBZMMJHLRON-UHFFFAOYSA-N 299.374 3.524 30 20 CHED C=CCC1(CNCc2cc(C(=O)O)oc2C)CCCC1 902266812 AQEFMASSSOJXRJ-UHFFFAOYSA-N 277.364 3.512 30 20 CHED C=C(CNC(=O)Cc1ccccc1SC)c1ccccc1 672479404 QPVNVPKGVWLLEV-UHFFFAOYSA-N 297.423 3.781 30 20 CHED C=CCOc1ccccc1C(=O)NC[C@@H](C)C(C)(C)C 734337530 WVZCMSLHCBXBFJ-CYBMUJFWSA-N 275.392 3.663 30 20 CHED N#Cc1cc(O)cc(C(=O)Nc2cccc3ccsc23)c1 589195675 COTDQFHVFZBASU-UHFFFAOYSA-N 294.335 3.731 30 20 CHED C=C(CC)CSCc1ccccc1CC(=O)O 833370541 PKLRQIXQFANUNI-UHFFFAOYSA-N 250.363 3.513 30 20 CHED CCOc1cccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)c1 915988714 CQQIUUUOMALWLK-SXGWCWSVSA-N 296.322 3.716 30 20 CHED COc1cccc(O)c1/C=N/CC(C)(C)c1ccccc1 914701553 KXSQAGDMDBGZOR-XDHOZWIPSA-N 283.371 3.798 30 20 CHED CCCc1ccc(CCCC(=O)NC2(C#N)CCC2)cc1 592609036 CRTLCUYDSRRQNE-UHFFFAOYSA-N 284.403 3.524 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2CCCc3ccccc32)C1 839042071 COJFPQLKAZLKNL-UKPHBRMFSA-N 283.371 3.732 30 20 CHED CCc1nc(Sc2snc(C)c2C#N)sc1C 593481898 JWZHDDXIZIMCKR-UHFFFAOYSA-N 281.431 3.802 30 20 CHED C=CCSc1nc2ccccc2n1CN(C)CC(C)C 744151962 NSYOLHZXZVAGNJ-UHFFFAOYSA-N 289.448 3.860 30 20 CHED C#CCCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 742788965 JCZQIXVZIIQFTM-UHFFFAOYSA-N 295.407 3.657 30 20 CHED COc1ccc(C(C)=NNc2cc(F)c(F)c(F)c2)cc1 747642931 YTUOIXRIFYLCGN-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CCCN(CCC)C(=O)Nc1scc(C)c1C#N 594110126 COOHSWGTTOIAGZ-UHFFFAOYSA-N 265.382 3.582 30 20 CHED N#Cc1cc(Cl)c(C(=O)NC[C@H]2C=CCC2)c(Cl)c1 914281941 DYLUZUKBDWVKEX-VIFPVBQESA-N 295.169 3.561 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccc(C#N)s1 749004177 AKIBCSXPSAODKP-SREVYHEPSA-N 298.323 3.733 30 20 CHED CCN(CC)c1ccc(/C=N\CCC(C)(F)F)c(O)c1 840708493 XLGRYYCQJFVNLM-WQRHYEAKSA-N 284.350 3.703 30 20 CHED CCc1nc(C#N)cc(SC[C@@H](C)c2ccccc2)n1 596224652 YATKVGKABADSRE-GFCCVEGCSA-N 283.400 3.806 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2CCCC[C@@H]21 594053809 BXMXVZMSQQXXHB-WBAXXEDZSA-N 296.414 3.528 30 20 CHED CCCCSCC(=O)O[C@H](C)c1ccc(C#N)cc1 748676622 AKCRTEMBOBZHGY-GFCCVEGCSA-N 277.389 3.696 30 20 CHED C[C@H](C(=O)OCC(C)(C)C#N)c1ccc(Cl)cc1 845508945 LLNBWRIGSAPJGF-JTQLQIEISA-N 265.740 3.536 30 20 CHED C=CCN(C(=O)CSc1ccc(C)cc1C)C(C)C 915147823 MKNWKNYJGPFDSK-UHFFFAOYSA-N 277.433 3.819 30 20 CHED Cc1ncc(C=NNc2nccc3sccc23)s1 917545322 SCGPBIZIAQPFFN-UHFFFAOYSA-N 274.374 3.507 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1nc(C#N)ccc1C 596181983 JBUHEFLSEXKOFW-BLLLJJGKSA-N 299.349 3.589 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1Cc2ccccc2O1 914740227 YWJULDXNYNHJRH-INIZCTEOSA-N 289.419 3.857 30 20 CHED C#CCN(C(=O)N[C@H](C)C[C@@H](C)CC)C1CCCCC1 745888491 OHMQLQWCZNBOMG-LSDHHAIUSA-N 278.440 3.789 30 20 CHED CCC[C@H](C(=O)N(CC)CC#N)c1ccc(Cl)cc1 596916439 NPEYNZBPUVHPBF-AWEZNQCLSA-N 278.783 3.596 30 20 CHED CCCCCCCCN1CCC[C@H](N2CCCCC2=O)C1 740877138 CKLFPKCYSMVERH-KRWDZBQOSA-N 294.483 3.824 30 20 CHED CC[C@@H](CC(=O)N(C1CC1)[C@@H](C)C#N)c1ccc(C)cc1 598129853 ZRBDYDACWPUJJW-GJZGRUSLSA-N 284.403 3.782 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccco1 744015086 GCTWORWXTJQOLS-OCCSQVGLSA-N 290.322 3.808 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1ccccc1F)C2=O 742437209 KDZGFQRKCWBAQI-GDNBJRDFSA-N 277.298 3.910 30 20 CHED CC(C)O[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 593055743 OFUWXEWCGDFVRW-WMLDXEAASA-N 272.392 3.509 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(OC(C)C)cc1 683788465 OJLHKUGTAYBMLF-HNNXBMFYSA-N 273.376 3.655 30 20 CHED CCCc1ccc(CNCc2cc(C#N)ccc2F)cc1 742383476 OBCDUBZGQFINIT-UHFFFAOYSA-N 282.362 3.940 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 681001746 ORUZNXVLKGPGPY-KGUUONHRSA-N 281.399 3.884 30 20 CHED COc1ccc2cc(C=NO[C@@H]3CCCCO3)ccc2c1 755814008 JYKQZMNPWRBKHI-QGZVFWFLSA-N 285.343 3.726 30 20 CHED Clc1cc(NN=CC2CCSCC2)cc(Cl)n1 853359158 LELUPMCKYWZFBN-UHFFFAOYSA-N 290.219 3.929 30 20 CHED Oc1ccccc1/C=N\[C@@H]1C[C@@H]1c1cccc(F)c1 921260996 JXSLMVMWWWUARO-SMZSATKYSA-N 255.292 3.506 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 753414461 ZNXGSJICJUSSIH-WCQYABFASA-N 296.370 3.752 30 20 CHED Cc1[nH]c2ccccc2c1CCN[C@@H](C)CC(C)(C)C#N 924913293 VVMLCQHTZWVKPL-ZDUSSCGKSA-N 283.419 3.937 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cc(F)cc(F)c1O 757460257 APKOGEIBHMCYDF-UHFFFAOYSA-N 298.239 3.785 30 20 CHED Cc1sc(NC(=O)C#CC(C)(C)C)nc1C(C)C 855236765 CBKNXWXFNMYWDM-UHFFFAOYSA-N 264.394 3.563 30 20 CHED CCCCCCCCCCC(=O)N1CCn2ccnc21 857913705 WXBUATPGCDTJIC-UHFFFAOYSA-N 277.412 3.761 30 20 CHED N#CC1(CCOC(=O)c2ccc3[nH]ccc3n2)CCCCC1 923468521 BBPLCWIEBFECAX-UHFFFAOYSA-N 297.358 3.584 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1ccccc1O 757473999 ICPDJBNDMLUDSL-HJWRWDBZSA-N 290.265 3.890 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)CCc2ccccc2)c1 920942772 PZYWJYZCMZJCNF-RMENWYJGSA-N 283.371 3.841 30 20 CHED C=CCCC(C)(C)NC(=O)c1c(O)cccc1Cl 856374001 IFWCOJFTNXJKLV-UHFFFAOYSA-N 267.756 3.520 30 20 CHED C#C[C@@H](CC)NC(=O)c1cc(Cl)ccc1SCC 754378871 ACKQDCQHDOPTRY-NSHDSACASA-N 281.808 3.594 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1scnc1COC 851142166 GLBPNDDMLQYYNL-WCQYABFASA-N 295.404 3.581 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@H]1CCC(=O)[C@H]1C 851145687 YXSCISZSUJONGI-NHIYQJMISA-N 278.392 3.670 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C1CCC(OC)CC1 851143522 MAQPJCMGOQQDJI-LMPOIIKSSA-N 280.408 3.870 30 20 CHED COc1ccc(NN=C2CCCOc3ccccc32)cc1 750921435 JMYHSECUTUDCGM-UHFFFAOYSA-N 282.343 3.684 30 20 CHED CC(C)(C#N)CCON=C(c1ccccc1)C(F)(F)F 751965499 MXUYWRHYMSXRLW-UHFFFAOYSA-N 284.281 3.909 30 20 CHED C#Cc1cccc(NC(=O)NC2(C)CCC(F)(F)CC2)c1 752466532 GLTNOLFEXGIERD-UHFFFAOYSA-N 292.329 3.757 30 20 CHED CC[C@@H](CC#N)OC(=O)C1(C(F)(F)F)CCCCC1 850978787 BBHNFZKWYZBVJX-JTQLQIEISA-N 277.286 3.735 30 20 CHED N#Cc1ccc(COC(=O)c2cc(Cl)cs2)c(F)c1 758731512 RFPZGJMKFYQPTJ-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CCN(C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)[C@H](C)C#N 856074871 DRGUQGVBNQIYLF-GHMZBOCLSA-N 298.308 3.569 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccccc2O)cc1[N+](=O)[O-] 757476131 VWFKZPITZBGXFF-HJWRWDBZSA-N 283.283 3.505 30 20 CHED C#CCCCC(=O)O[C@@H](COC(C)C)c1cccc(F)c1 759155278 XDIRGTYPMFHMQO-INIZCTEOSA-N 292.350 3.639 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1 755293964 XREQLJOQSYRNNN-CJNGLKHVSA-N 272.392 3.868 30 20 CHED CCCCCCCCNC(=O)c1cc(C#N)cs1 754855006 RMYPZSAECIYKRA-UHFFFAOYSA-N 264.394 3.710 30 20 CHED CCCC[C@H](C)C(C)=NNc1ncc(Cl)cn1 857221314 YPTABJCILKOJGY-VIFPVBQESA-N 254.765 3.744 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc(F)c(F)c2)co1 752891381 UDPLWURTTHBWAG-XQRVVYSFSA-N 277.270 3.972 30 20 CHED CCCC(=CC(=O)N[C@](C)(C#N)C(C)(C)C)CCC 766586224 CSAXBISMLNRJKZ-MRXNPFEDSA-N 264.413 3.958 30 20 CHED CCn1cc(/C=C/C(=O)c2cccc(C(C)C)c2)cn1 863195554 DPUFTUFYWMPMHL-CMDGGOBGSA-N 268.360 3.923 30 20 CHED Cc1cc(O)c(CNc2cc(F)cc(C#N)c2)cc1Cl 864043015 FJVIVENFAJEBPO-UHFFFAOYSA-N 290.725 3.977 30 20 CHED C#C[C@@H](C)N(C)C(=O)C1(c2cccc(C)c2)CCCCC1 767253110 XOYHLVVLQOVSCL-MRXNPFEDSA-N 283.415 3.677 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCC(=C)CC1 931290432 NYDZYJQPVHTALB-UHFFFAOYSA-N 270.376 3.989 30 20 CHED CCCCCCCC(=O)N1CCCC[C@H]1C(=O)CC 765458796 STHSCNHKHUQCJE-AWEZNQCLSA-N 267.413 3.707 30 20 CHED COc1cc(/C=C2/CCc3scnc3C2=O)ccc1C 863196792 VWSGBAQERAKZII-GHXNOFRVSA-N 285.368 3.673 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccc(-c2ccccc2F)o1 766036970 JEZQJPMQVIFMCA-SOFGYWHQSA-N 296.301 3.715 30 20 CHED Cc1cc(C)nc(NN=C2C[C@@H]3CCCc4cccc2c43)n1 763339534 PLGBYFVGEXPVFC-AWEZNQCLSA-N 292.386 3.733 30 20 CHED Cc1ccccc1C=NNCc1ccc(Cl)cc1 864026968 NPEFSVLMVVLFQS-UHFFFAOYSA-N 258.752 3.772 30 20 CHED COc1cccc(/C=N\CCCc2cccs2)c1O 769549774 VVMKJAYUSHAUGD-WJDWOHSUSA-N 275.373 3.514 30 20 CHED C#Cc1cccc(NCc2cnc3ccc(Cl)cn23)c1 766444861 TWELBBGIOGDISG-UHFFFAOYSA-N 281.746 3.581 30 20 CHED CCC1(CC)C(=NNc2ccc([N+](=O)[O-])cc2)C[C@H]1OC 762606150 WGXMMVVWSSNJHI-CQSZACIVSA-N 291.351 3.588 30 20 CHED C#CCCCCCC(=O)Nc1ncc(Cl)cc1Cl 875086106 NWCHYFCMNNOJLX-UHFFFAOYSA-N 285.174 3.911 30 20 CHED Cn1cc(-c2nnc(C#Cc3ccccc3)o2)c2ccccc21 1118380756 ADBPTRDCGSZJAS-UHFFFAOYSA-N 299.333 3.628 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2cc(F)cc(C)c2C1 879877491 ZNISIOFKVRYRSA-UHFFFAOYSA-N 275.367 3.621 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1cccc(F)c1F 776268402 NHRIFIRMCJIHRC-PLNGDYQASA-N 285.702 3.971 30 20 CHED COc1ccc(N[C@@H](C)C2CCSCC2)cc1C#N 877769687 IQYXDBFUTQKNQK-NSHDSACASA-N 276.405 3.510 30 20 CHED C#C[C@H](C)N(C)Cc1c(OC(F)F)ccc2ccccc12 775185205 ZAOLRDUTKGCIDZ-LBPRGKRZSA-N 289.325 3.895 30 20 CHED C[C@@H](CC(=O)OCCC(C)(C)C#N)c1ccccc1F 776382295 TWZZNVNFWBDDKF-LBPRGKRZSA-N 277.339 3.802 30 20 CHED N#Cc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)c(F)c1 772805112 FVHOIQHCRGXSIK-MLPAPPSSSA-N 281.261 3.659 30 20 CHED C#CCOc1ccc([C@H](C)NCCC2CCC2)cc1 773037985 YBQQPLMHYJYXQS-AWEZNQCLSA-N 257.377 3.539 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc(Cl)o1 779988859 LEXWOGKJPIROGC-JTQLQIEISA-N 276.723 3.836 30 20 CHED C=CCCCCCCCNc1cc(Cl)nnc1O 872549911 BOQDKRBGZXPXNH-UHFFFAOYSA-N 269.776 3.774 30 20 CHED C=C(C)CN(C)C(=O)c1cc(-c2ccc(CC)cc2)on1 879411373 SEJZLHUCEIQLDI-UHFFFAOYSA-N 284.359 3.552 30 20 CHED O=C(/C=C/c1cc(F)cc(Cl)c1)c1cccnc1 776721650 IWDYBWSBLSXIIE-ONEGZZNKSA-N 261.683 3.770 30 20 CHED N#CCc1ccc(COC(=O)c2cc3c(s2)CCC3)cc1 776115139 WZWKDBXRUOFYOM-UHFFFAOYSA-N 297.379 3.660 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2ccncc2CC)c1C 776191025 DUARPZKXQBNECL-FPLPWBNLSA-N 297.402 3.763 30 20 CHED C#C[C@@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 772962260 LFCYLOGCPZSJIL-SNVBAGLBSA-N 289.787 3.820 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)C1CCSCC1 777421521 MXUMEYATKQQHQS-UHFFFAOYSA-N 279.365 3.526 30 20 CHED CC(=NN=c1cc[nH]cc1)[C@@H](C)c1nc2ccccc2s1 779809840 VWKBIAWFZFVHNX-LLVKDONJSA-N 296.399 3.705 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccc(C#N)cn2)CCCC1(C)C 889234853 XBNKCDJAZOTGBE-AWEZNQCLSA-N 298.390 3.552 30 20 CHED C#CCCCCCC(=O)N1CCCc2ccc(F)c(F)c21 780028550 UDRQXVWJBFBZBL-UHFFFAOYSA-N 291.341 3.828 30 20 CHED C#CCC1(C(=O)N(C)c2ccc(F)cc2)CCCCC1 788170649 FDKQDBVFCVRRJD-UHFFFAOYSA-N 273.351 3.762 30 20 CHED COc1ccc(C=NN[C@@H]2CCCC2(C)C)c(Cl)c1 782288009 NSLOCEONPIHMFL-CQSZACIVSA-N 280.799 3.851 30 20 CHED CC(C)=C(C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887703172 HJNIMDFVMAVZFM-UHFFFAOYSA-N 282.387 3.621 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C)cnc1Br 1121142040 XTBDAYVUJKIBMK-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C#CCC1(C(=O)NCCCNc2ccccc2)CCCCC1 788510622 HIGCWXRIESSJDK-UHFFFAOYSA-N 298.430 3.579 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cccc2ccccc12 788039206 OWPIVXIUSGIOGR-CQSZACIVSA-N 269.344 3.617 30 20 CHED N#Cc1cccc2c1CCN2CCCc1ccccc1 1559925957 GBWXQZGPEDUUHQ-UHFFFAOYSA-N 262.356 3.554 30 20 CHED CCCCCC[C@](C)(CC)C(=O)N1CC[C@@](F)(C#N)C1 786232930 JMURAHQOSPJUGZ-JKSUJKDBSA-N 282.403 3.837 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc2ccc(F)cc2c1 1120813794 MZELODUSVAOTJC-MRXNPFEDSA-N 298.361 3.945 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2sc(C)nc2c1 781496424 IDVOUZNZSBLMBS-SECBINFHSA-N 275.377 3.691 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cccc(-c2ccncc2)c1 788036405 IYZUOONKQAANJW-OAHLLOKOSA-N 296.370 3.526 30 20 CHED Cc1ncc(NC[C@@H](C)CCC#N)c(C)c1Br 896665063 BJENTSVUJCXNPV-VIFPVBQESA-N 296.212 3.813 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1nc(O)c2ccccc2n1 783856089 WXFKRLZKWVXWSG-NEPJUHHUSA-N 284.363 3.559 30 20 CHED CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCCC(C)(C)C#N 786344144 LDAPAHVNYCQWQD-ILXRZTDVSA-N 295.423 3.843 30 20 CHED C#CCCCCCC(=O)O[C@@H](C)c1cccc(C#N)c1 780347566 OOCUKZPWYOZNTD-AWEZNQCLSA-N 269.344 3.746 30 20 CHED C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(C#N)cc1Cl 892911219 WXWCYIAQQWVVFE-QMTHXVAHSA-N 290.750 3.729 30 20 CHED O=C(O)c1csc(/C=C\C(=O)c2cc(F)ccc2F)c1 782201307 SPEXYBXKHIYOGI-RQOWECAXSA-N 294.278 3.621 30 20 CHED C=C1CC(c2noc(-c3ncccc3SCC)n2)C1 896877429 QYIWYVRDIQUSFZ-UHFFFAOYSA-N 273.361 3.677 30 20 CHED Cc1ccc(C=NNc2cccc(F)c2[N+](=O)[O-])s1 790306563 KOCPXOPIAXQIQR-UHFFFAOYSA-N 279.296 3.550 30 20 CHED N#Cc1cnc(N[C@@H](c2ccccn2)C2CC2)c(Cl)c1 895794718 ZJSXKJNVIQDQTL-CQSZACIVSA-N 284.750 3.565 30 20 CHED CC[C@@H](C)CON=Cc1cccc(OC)c1OC(F)F 793145358 IOYLFCMTJFEKGE-SNVBAGLBSA-N 287.306 3.693 30 20 CHED C#CCN(CCCc1ccc(C)nc1)C1CCCCC1 792796010 NUCQMRQYTJMLBT-UHFFFAOYSA-N 270.420 3.591 30 20 CHED Clc1ccccc1NN=C[C@H]1CCCSC1 794862112 KVOSWBBPHYILIQ-SNVBAGLBSA-N 254.786 3.881 30 20 CHED C#C[C@@H](CCC)NC(=O)CCc1ccc(Cl)cc1Cl 704319200 QOSPNVWDLSFUFL-ZDUSSCGKSA-N 298.213 3.844 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(N(C)C)c(F)c2)oc1C 799897110 MYGHLVQBUNEKQH-SOFGYWHQSA-N 287.334 3.998 30 20 CHED Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC#CC(C)(C)C 798887003 XHVMUWTYNMBAJS-UHFFFAOYSA-N 296.370 3.591 30 20 CHED CC(=NN=C1c2ccccc2-c2ccccc21)c1ncc[nH]1 790153676 KCUQVYMQNAKLDQ-UHFFFAOYSA-N 286.338 3.652 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)c(C)c1)C(F)(F)F 559001148 DNBFJIAYBIKNHT-CYBMUJFWSA-N 270.298 3.687 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@]1(C)CO 723032134 FNOQXNAMIQKEQY-INIZCTEOSA-N 269.429 3.501 30 20 CHED CSCCON=C1CCc2[nH]c3ccc(C)cc3c2C1 794573433 BKTIUPGUJHTZPL-UHFFFAOYSA-N 288.416 3.701 30 20 CHED CCCCCCCCCNC(=O)C[C@@H]1CCC(=O)[C@H]1C 792970337 STOPTJBDNCJSRQ-GJZGRUSLSA-N 281.440 3.859 30 20 CHED CSCCON=Cc1ccc(F)cc1C(F)(F)F 794577285 TWSYIWZYKGRQIJ-UHFFFAOYSA-N 281.274 3.558 30 20 CHED C#CCN(C(=O)[C@@H](CC)c1ccccc1)C1CCCCC1 791128499 PWSLSFXRDUSNMC-SFHVURJKSA-N 283.415 3.975 30 20 CHED CCOc1ccc(/C=N/CCCC(F)(F)F)c(O)c1 799743100 VSLBMKZNMWZCIW-RQZCQDPDSA-N 275.270 3.552 30 20 CHED COc1ccc2c(c1)C(=NNc1ncccc1C)CCC2 790185950 LMRNWYZIHIFRAO-UHFFFAOYSA-N 281.359 3.551 30 20 CHED C/C(=C\C(=O)N(C1CC1)C1(C#N)CCC1)c1ccccc1 791004214 ZSDNRNXBDBYQHD-WYMLVPIESA-N 280.371 3.527 30 20 CHED Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc1C#N 799303082 AVORBMIQPNAYFP-CJNGLKHVSA-N 270.376 3.517 30 20 CHED C[C@@H]1CC[C@H](Nc2cccc(OCCCC#N)c2)C1 80458046 ALGZFNAVAAIHFU-HIFRSBDPSA-N 258.365 3.970 30 20 CHED C#CCC(C)(C)C(=O)NCc1c(Cl)cccc1Cl 767057783 NJVWSJSWVNTDIO-UHFFFAOYSA-N 284.186 3.659 30 20 CHED C#CCCCCC(=O)NCC(C)(C)C1CCCCC1 773319595 SQWMTCMBQICJIJ-UHFFFAOYSA-N 263.425 3.903 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CS1 94473178 CBBFLDAIAPMECN-KCJUWKMLSA-N 286.322 3.883 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccccc1CC(C)C 790345717 ZTKGQLMVLKNNRK-CQSZACIVSA-N 272.392 3.507 30 20 CHED Cc1c(Cl)cnc(N2CC(C)(C)C[C@H]2C)c1C#N 1163511338 AKLLGURHLNXFOK-SECBINFHSA-N 263.772 3.540 30 20 CHED Cc1ccc(COC(=O)C2(c3cccc(C#N)c3)CC2)cc1 1319520801 QRFHNLWVRXBGMF-UHFFFAOYSA-N 291.350 3.642 30 20 CHED CC(C)c1ocnc1Cn1ccc(-c2ccc(C#N)cc2)n1 1319740789 HIIYQPOFFKJYBK-UHFFFAOYSA-N 292.342 3.581 30 20 CHED N#Cc1nc(N2CC[C@H]3CCCC[C@@H]3C2)ccc1Cl 1318430837 PTJNFARULRNLJF-VXGBXAGGSA-N 275.783 3.623 30 20 CHED N#Cc1ccnc(CSc2nccc3ccccc23)c1 1641232785 DCKPZTIHIKDTKC-UHFFFAOYSA-N 277.352 3.794 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1occ(C)c1C 1327854589 IBZAXBIBNCSRPJ-UHFFFAOYSA-N 269.344 3.725 30 20 CHED C=C[C@@H](COC)N[C@H](CC)c1ccc(OC(F)F)cc1 1320592980 VPOPMVHFJKPBNB-GXTWGEPZSA-N 285.334 3.530 30 20 CHED CCOc1ccc(/C=C/c2cc(C#N)ccn2)cc1F 1323088822 UGFSVPJZBOJYFF-HWKANZROSA-N 268.291 3.661 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)s2)c(C2CC2)n1 1326886372 OCRZVXGCLBGCJG-UHFFFAOYSA-N 298.367 3.558 30 20 CHED CC[C@H](CNc1cccc(CC#N)n1)Oc1cccc(F)c1 1320491238 UBNUENBIDRRCNM-OAHLLOKOSA-N 299.349 3.556 30 20 CHED C=CCN(Cc1sc(N2CCCCC2)nc1C)C(C)C 1320480686 RKRHBBGYVGDVFX-UHFFFAOYSA-N 293.480 3.838 30 20 CHED C=CC[C@H](NC(=O)N(C)CCC(C)(C)C)c1ccncc1 1326753446 UPZDGUGZHCNQSX-HNNXBMFYSA-N 289.423 3.776 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)c2csc(C#N)c2)c1 1330504201 IFEDUAJWUVMDTH-MRXNPFEDSA-N 296.395 3.906 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 1347315484 SJXQAQPUTKRKSE-CQSZACIVSA-N 263.768 3.970 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)cc2)c2c1CCC2 1264212430 GRABZVHWAYRXOE-UHFFFAOYSA-N 276.339 3.608 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(C#N)ccc1C)C1CC1 1359988179 VZFXUHIGPXWFOS-TZMCWYRMSA-N 284.403 3.906 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1cc(C#N)ccc1F 1353317571 DCCXKYFUNPGFPT-UHFFFAOYSA-N 296.345 3.668 30 20 CHED CC(C)(CNc1ncc(C#N)cc1F)Cc1ccccc1 1458188712 SRXNWHGYWJYHNU-UHFFFAOYSA-N 283.350 3.773 30 20 CHED Cc1cc(C#N)ccc1CN1c2ccccc2OC[C@@H]1C 1459729601 ZWYRUEIJWHNPAK-AWEZNQCLSA-N 278.355 3.654 30 20 CHED COc1cc(C)ccc1CNc1cc(C#N)ccc1C 1461564665 MUHZOOUJIRCYPR-UHFFFAOYSA-N 266.344 3.796 30 20 CHED N#CCc1cccc(NC(=O)c2cccc3cnccc23)c1 1521754349 GWPIBSBCOAGHCA-UHFFFAOYSA-N 287.322 3.553 30 20 CHED Cc1csc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c1Cl 1524734008 NUWSNJQYOLEORH-RKDXNWHRSA-N 269.753 3.559 30 20 CHED CCCCCCCCCOc1ccccc1-c1nn[nH]n1 1604175201 BZNUHFALTAYPFV-UHFFFAOYSA-N 288.395 3.996 30 20 CHED N#Cc1cnc(Nc2ccc(F)cc2)c(Br)c1 217252638 KZVAYSVDEJKBPK-UHFFFAOYSA-N 292.111 3.598 30 20 CHED N#C[C@@H](Cc1ccccc1)SCc1ccccc1C(=O)O 1601047738 CETCVSZGXGCFFU-OAHLLOKOSA-N 297.379 3.753 30 20 CHED COc1cc(CN(C)c2cc(C)ccc2C)ccc1C#N 1474422068 RFFLTNJWWYOMHF-UHFFFAOYSA-N 280.371 3.820 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1cc(C#N)c(F)cc1F 1477014695 CKKRWEBXNKLYJQ-VIFPVBQESA-N 295.333 3.783 30 20 CHED C[C@H]1[C@H](c2cccc(F)c2)OCCN1C[C@H](C)CCC#N 1474595232 ILTWBAOTHBHMQS-JKIFEVAISA-N 290.382 3.527 30 20 CHED CCCCC1CCC(CNC(=O)[C@@H](C#N)CC)CC1 1542299480 OPDXFZNJKSQUPS-YMAMQOFZSA-N 264.413 3.649 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)c1ccncc1C#N 1472638968 YMIRKRWKPKFSFN-UHFFFAOYSA-N 279.387 3.887 30 20 CHED N#Cc1ccc(CCN2CCCc3ccccc3CC2)cc1 1559841460 KLULFOWVKCDEFQ-UHFFFAOYSA-N 290.410 3.592 30 20 CHED C=C(CNC(=O)N1CC(C)(C)[C@@H]1C(C)C)c1ccccc1 1635923689 SOKMMMAELIBZMD-INIZCTEOSA-N 286.419 3.776 30 20 CHED C[C@H](CN(C)Cc1cccc(C#N)n1)C1CCCCC1 1560964804 SDDXRBVFZLTPOW-CQSZACIVSA-N 271.408 3.601 30 20 CHED N#Cc1ccc(CCSc2ccc(C#N)cc2F)cc1 1640935603 ABDNGIQOBDDIDF-UHFFFAOYSA-N 282.343 3.904 30 20 CHED COc1cc(C#N)ccc1CN1CCCC[C@H]1CC(C)C 1642159733 QCECXWXUNMDQCK-KRWDZBQOSA-N 286.419 3.967 30 20 CHED CCCN(CCOc1cccc(C#N)c1)c1ccccc1F 1643826064 JIPIWAOIUBZOBT-UHFFFAOYSA-N 298.361 3.993 30 20 CHED Cc1cc(N[C@H](C)c2ccc(F)cc2F)ncc1C#N 1642374733 WCMUNWKPQFUVRV-SNVBAGLBSA-N 273.286 3.713 30 20 CHED CC[C@H](CSc1ccc(Cl)cc1C#N)OC 1651842310 GVJCCRMSKVYAHA-LLVKDONJSA-N 255.770 3.729 30 20 CHED C=C(CNC(=O)c1cc2ccncc2s1)c1ccccc1 1584316201 JMBIPRCRDSXKOR-UHFFFAOYSA-N 294.379 3.740 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)cc(C)n1 1583805429 XFQANRVYYWLGBR-AWEZNQCLSA-N 273.380 3.663 30 20 CHED C=C[C@@H](Nc1cccc(COc2ccccc2)c1C)C(=O)O 1588702215 MVMFFMCFHWENRP-MRXNPFEDSA-N 297.354 3.625 30 20 CHED CSc1ccc(/C=C\C(=O)c2cc(C(=O)O)co2)cc1 1599811767 ABHNDJFWSPNWND-DAXSKMNVSA-N 288.324 3.596 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(CC(=O)O)cc2)ccc1F 1777418014 QCIZHWHEHLEKBA-TWGQIWQCSA-N 298.313 3.657 30 20 CHED Cc1ccc2cccc(OCc3cccc(C#N)c3)c2n1 14339390 MOIJWMLHXNUTGB-UHFFFAOYSA-N 274.323 3.994 30 20 CHED O=C(/C=C/c1ccccc1OC(F)F)c1cncc(F)c1 150949516 QWGPJNLXQCJUFF-AATRIKPKSA-N 293.244 3.718 30 20 CHED C[C@@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(C#N)cc1 162948744 HJUYZLBLAGQPDU-RNJTYBCJSA-N 296.414 3.557 30 20 CHED C=CCC(CC=C)C(=O)Oc1c(F)cccc1F 158903194 KFHLGEXYMWOWDL-UHFFFAOYSA-N 252.260 3.639 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2F)cc1 168031941 LCTIVNSGDVUKAQ-FLIBITNWSA-N 256.276 3.730 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1cc(C)ccc1C 151973368 KAXHOUWIJDNILD-CYBMUJFWSA-N 263.406 3.940 30 20 CHED Cc1cccc(NC(=O)Nc2ccc(F)cc2OCC#N)c1 152062166 WEZNLWHDAFBLFQ-UHFFFAOYSA-N 299.305 3.681 30 20 CHED COc1ccc([C@H]2CCN(Cc3ccccc3C#N)C2)cc1 155279785 KMNPMNAMIMTLEL-SFHVURJKSA-N 292.382 3.556 30 20 CHED C=C[C@@H](C)NC(=O)CCCCc1nc2ccccc2s1 154065752 REGVFWRCCVENBA-GFCCVEGCSA-N 288.416 3.700 30 20 CHED C=CC1CCN(C(=O)c2cc(C(CC)CC)no2)CC1 155311759 NDQJPQHTVWZOMA-UHFFFAOYSA-N 276.380 3.616 30 20 CHED C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H](C#N)C(C)(C)C 157740477 KWMSWNDQAVWHPJ-FZMZJTMJSA-N 292.810 3.573 30 20 CHED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1c(C)noc1C 155888521 MKANGALMFPLXIX-ZBEGNZNMSA-N 283.375 3.965 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1c1ccccc1C 154887352 FWMNAJCZBQHICG-KRWDZBQOSA-N 284.403 3.645 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)C1 159332101 LCDSYERJEBFRIL-VXGBXAGGSA-N 290.794 3.720 30 20 CHED CC(C)CC[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 302185065 GZLHHLAUINBIRT-AWEZNQCLSA-N 287.363 3.871 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(F)cc1C 815591378 FYPUBKCKXDENGM-LBPRGKRZSA-N 253.386 3.704 30 20 CHED CO[C@H](CSCc1cc(C#N)ccn1)c1ccccc1 901787194 JUZNZXHBWUXQER-MRXNPFEDSA-N 284.384 3.574 30 20 CHED C#Cc1ccc(CNc2cccc3ccncc23)cc1 809633994 OTEFFMOWWBFMJC-UHFFFAOYSA-N 258.324 3.828 30 20 CHED C[C@H]1C[C@@H](C)N(c2ccc(C(F)(F)F)c(C#N)c2)C1 128013588 IETHBQYEHYPHSE-VHSXEESVSA-N 268.282 3.812 30 20 CHED CCN(Cc1ccc(C#N)c(C)c1)c1ccccc1 1308681131 MGAJUFVYBXNCFS-UHFFFAOYSA-N 250.345 3.893 30 20 CHED CCCSC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 892521235 NNMZBLRINOJCBB-CHWSQXEVSA-N 262.422 3.741 30 20 CHED CCC1CCC(N(C)c2nccc(C)c2C#N)CC1 135067259 GYYCFMPUZLJICS-UHFFFAOYSA-N 257.381 3.667 30 20 CHED N#CC1(C(=O)Nc2ccc(Cl)c(F)c2)CCCCC1 44385982 RJPAYFXVJSIJEN-UHFFFAOYSA-N 280.730 3.892 30 20 CHED CC(C)(C)C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 307777337 QOZWGYSPDALMQQ-AWEZNQCLSA-N 274.383 3.955 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](CC)CC(F)(F)F)c1 402720973 MQKBJZAIUUMMAR-NSHDSACASA-N 269.266 3.585 30 20 CHED C=C[C@@H](CO)N[C@H](CC)c1ccc(Cl)c(Cl)c1 353570136 DGNDZZXFTRHKMU-GXFFZTMASA-N 274.191 3.581 30 20 CHED N#CCc1ccc(CNc2ccc(F)c(F)c2)cc1 342440939 LEVWMHHRLUILKP-UHFFFAOYSA-N 258.271 3.643 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc2c(c1)CCCO2 695837006 PLQBVDAGBCBKAA-LBPRGKRZSA-N 258.365 3.752 30 20 CHED C[C@@H]1CCN(c2nc(Cl)c(C#N)s2)C[C@H](C)C1 723801968 NBLYOALYQYJVAF-RKDXNWHRSA-N 269.801 3.541 30 20 CHED C[C@H](NCc1ccc(C#N)s1)[C@H]1CCC[C@@H](C)C1 1473553624 MCWMDVBHKFPLOF-AGIUHOORSA-N 262.422 3.924 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2c(C)noc2C)c1 107066886 NACGSJJUYWKLST-AATRIKPKSA-N 255.317 3.804 30 20 CHED C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)cc1F 109783243 HVQZAQJLIGLEDN-GFCCVEGCSA-N 284.334 3.596 30 20 CHED CCS[C@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 176983290 DAEKEPCLRSQPHO-STQMWFEESA-N 280.462 3.774 30 20 CHED CCc1noc(C)c1CN(CCC#N)CC(CC)CC 119417433 MTNODMADPPNOOC-UHFFFAOYSA-N 277.412 3.697 30 20 CHED CC(C)(C)CCCC(=O)N(CCC#N)Cc1cccnc1 103432488 NMJNUBBFUCFEJK-UHFFFAOYSA-N 287.407 3.540 30 20 CHED C=C(C)CN(CC)C(=O)/C=C(/C)c1ccccc1OC 66283442 NMBOSYQOKGHFHA-KAMYIIQDSA-N 273.376 3.523 30 20 CHED C[C@@H](NC[C@@H](c1cccs1)N(C)C)c1ccc(C#N)cc1 20147600 SFJIOCMBNZHZDE-CJNGLKHVSA-N 299.443 3.573 30 20 CHED C=CCCC(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 118299636 RXQNURVOERECHY-CZUORRHYSA-N 275.417 3.658 30 20 CHED C#CCN(Cc1ccccc1O)[C@H](C)c1ccccc1 176680406 HIMJGZNLTLZRMS-OAHLLOKOSA-N 265.356 3.589 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1ccc(C#N)s1 175872686 MAQOHWSXWGAEBG-ZIAGYGMSSA-N 280.462 3.774 30 20 CHED N#Cc1ccc(NCCc2ccc(F)cc2F)c(F)c1 301272455 XZIUQKBABCBWBX-UHFFFAOYSA-N 276.261 3.630 30 20 CHED CC[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 302303078 QTABQPSZLSXYBM-SNVBAGLBSA-N 268.282 3.813 30 20 CHED Cc1cccc2nc(CNc3ccc(Cl)c(C#N)c3)cn12 177183655 ZNEJAIJVCWFLBE-UHFFFAOYSA-N 296.761 3.780 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc(C#N)c1 110718279 ULSVZOASNTZDFC-GOEBONIOSA-N 270.376 3.647 30 20 CHED CCc1ccccc1C(=O)O[C@@H](CC#N)c1ccco1 1344935272 DDNBIQYNYBLTPX-HNNXBMFYSA-N 269.300 3.654 30 20 CHED COc1ccc(OC)c(C(=O)/C=C/c2cc(C#N)cs2)c1 176837122 PKLFVHXPJJTJFC-SNAWJCMRSA-N 299.351 3.533 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cccc(C(F)F)c2)n1 171565210 DLMRTYPJHHZASZ-LLVKDONJSA-N 292.310 3.879 30 20 CHED N#Cc1ccc(SCc2nc(-c3ccccc3)no2)cc1 171777614 VIIPQUXYCPMGDN-UHFFFAOYSA-N 293.351 3.901 30 20 CHED Cc1cc(C)c(O)c(CN(CCC#N)CC(C)(C)C)c1 164299412 LIABOQRVLFHWRK-UHFFFAOYSA-N 274.408 3.771 30 20 CHED CC(C)CC[C@H](NCc1cccc(C#N)c1)C1CC1 311611907 QOJUTLCDAHCBKY-KRWDZBQOSA-N 256.393 3.863 30 20 CHED Cc1ccc([C@@H]2CCCCN2c2ncccc2C#N)cc1 301505889 CSQUGFUQKNFUDY-KRWDZBQOSA-N 277.371 3.993 30 20 CHED CCCCN(C(=O)c1sccc1C#N)[C@H](C)CC 128064304 MDJMZGQZUHQVGY-LLVKDONJSA-N 264.394 3.661 30 20 CHED CC[C@H](C#N)Nc1ccccc1CCC(F)(F)F 122257700 RAZRYVXHMFRVQB-LLVKDONJSA-N 256.271 3.896 30 20 CHED CC(C)(CNc1ncccc1C#N)c1ccccc1Cl 301179019 YKKXQWIJITZZDB-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C=C(C)CN(C)C(=O)Cc1coc2c(C)c(C)ccc12 180467613 DGVWAWUWYSLUQI-UHFFFAOYSA-N 271.360 3.627 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)CCc2ccc(C#N)cc2)CC1 188807741 NGULCRWHLAEUMJ-PBHICJAKSA-N 284.403 3.576 30 20 CHED Cc1cnc(Oc2cc(Cl)ccc2C#N)c([N+](=O)[O-])c1 354409086 CYLRDWMTRUGVMX-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CSCCc1ccc(NCc2ccc(C#N)o2)cc1 129053112 SYKDYHMTZYRTNU-UHFFFAOYSA-N 272.373 3.669 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 78973456 ACMADGUEAKTLBR-OLZOCXBDSA-N 295.342 3.878 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1ccc(SCC)cc1 182129940 PRBZTBGPQRGPNQ-ZFWWWQNUSA-N 279.449 3.776 30 20 CHED C[C@@H](SC[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(C#N)c1 419459678 DHXMLSCFLGETFU-RAEVTNRLSA-N 273.401 3.920 30 20 CHED CCOC[C@H](NCCC1(C#N)CCCCC1)C(C)C 411722259 QKXRVPVAPDBPTQ-HNNXBMFYSA-N 266.429 3.501 30 20 CHED CC1(C)CCC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 313919095 AORMJHFHZIESPC-LLVKDONJSA-N 292.329 3.535 30 20 CHED C=CCC[C@H](NCc1ncc(-c2ccccc2)cn1)C1CC1 186059622 QIJOJEFBXHOFSO-SFHVURJKSA-N 293.414 3.978 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1c1ccccc1 507206721 BZGXWLPXOXTOOG-RTBURBONSA-N 276.383 3.794 30 20 CHED C=CCc1cc(CN(C)[C@@H](C)C(C)C)cc(OC)c1O 507251000 FBFDSWYDPHYBAD-ZDUSSCGKSA-N 277.408 3.606 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc(Cl)c1F 152787061 SYUXTVZKRCSCCP-UHFFFAOYSA-N 296.773 3.881 30 20 CHED CC(C)CCCCCC(=O)N[C@@H](C#N)C(C)(C)C 122093572 QHFOQKNNSXARSC-ZDUSSCGKSA-N 252.402 3.647 30 20 CHED Cc1nc(N2CCc3ccccc3CC2)c(Cl)cc1C#N 314404564 VOWMMSDLYVJNSS-UHFFFAOYSA-N 297.789 3.520 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2ccccc2c1 181495267 LJXXOXYHXSVUKB-UHFFFAOYSA-N 254.333 3.880 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCc1c[nH]c2ccc(C)cc12 410830218 UKMOHIOUMCVJLV-HNNXBMFYSA-N 297.402 3.560 30 20 CHED COC(=O)[C@@H](CC(C)(C)C)Sc1ccccc1C#N 181008199 OETMTQJXQWLDOP-CYBMUJFWSA-N 277.389 3.628 30 20 CHED CC(C)(C)CC(=O)Nc1ccc(Cl)cc1CC#N 410971664 SNHFGDMKIVESKT-UHFFFAOYSA-N 264.756 3.781 30 20 CHED COCc1ccccc1OCCCOc1cccc(C#N)c1 419089607 AHCDYLGCEUAABE-UHFFFAOYSA-N 297.354 3.553 30 20 CHED CCc1ccc([C@@H](C)C(=O)Nc2ccccc2C#N)cc1 76708730 JXDCWXZWLDGJAF-CYBMUJFWSA-N 278.355 3.863 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1C 489485739 YFRBSVKRQHLUTQ-AWEZNQCLSA-N 292.810 3.627 30 20 CHED CN(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCCC1 416661625 MRZOLELTXGVTRD-KRWDZBQOSA-N 297.402 3.520 30 20 CHED CC1(C)CCCN(Cc2nc3ccccc3s2)[C@H]1C#N 444723718 ANBCMABTPSLYBB-AWEZNQCLSA-N 285.416 3.810 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc(OC3CCCC3)nc2)C1 185784610 FXMSMHDFINUJOB-ZBFHGGJFSA-N 299.418 3.575 30 20 CHED CC[C@H](CC#N)NCc1cnc(-c2ccc(C)cc2)s1 184096548 VESDMGKATMTLFJ-CQSZACIVSA-N 285.416 3.900 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 185142661 UUQMWWQJOWCERU-HNNXBMFYSA-N 287.403 3.845 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](C#N)CCC#N 76514008 VIQSZIQBLLPFBW-LLVKDONJSA-N 296.201 3.869 30 20 CHED CC#CCN(Cc1cccc(-c2cccnc2)c1)C1CC1 503076886 WCRHAYJMBLLPBI-UHFFFAOYSA-N 276.383 3.736 30 20 CHED COC[C@@H](C)CC(=O)Nc1sc(C(C)(C)C)cc1C#N 411007386 NAPRHEBQJZERAP-JTQLQIEISA-N 294.420 3.528 30 20 CHED CCC[C@@H](NCc1cccc(C#N)c1)c1cccnc1 184987462 MZAPRFKTOFPDLC-QGZVFWFLSA-N 265.360 3.584 30 20 CHED COc1cc(CNc2cccc(C#N)c2)ccc1SC 132877334 PEEGPVSUGPTOOF-UHFFFAOYSA-N 284.384 3.901 30 20 CHED Cc1cc(C)cc(NCCC(=O)Nc2cccc(C#N)c2)c1 49910446 VRQDBUODKUAOBA-UHFFFAOYSA-N 293.370 3.616 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCS1 412810358 APWQINRQDSGHGU-CVEARBPZSA-N 289.444 3.576 30 20 CHED C=C(C)CCc1noc(-c2ccc(SC)cc2)n1 508608348 IURNLLQIYLWMAA-UHFFFAOYSA-N 260.362 3.967 30 20 CHED CC1CCC(CNC(=O)Nc2ccc(C#N)cc2)CC1 339095027 DHUXOPINXDHNAW-UHFFFAOYSA-N 271.364 3.506 30 20 CHED C#Cc1cccc(NC(=O)C2CCCCCCC2)c1 86581905 ICEUUYSMOARCMT-UHFFFAOYSA-N 255.361 3.967 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccccc1N(C)C(C)C 424804658 PJRMTLMSAJVBIN-UHFFFAOYSA-N 288.435 3.750 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 424640854 BKWWRXQZYJCMHZ-CQSZACIVSA-N 275.367 3.744 30 20 CHED CCCCc1nc(CN(CCC#N)CC2CC2)cs1 81043722 OKXPLGSCRCVQFI-UHFFFAOYSA-N 277.437 3.611 30 20 CHED Cc1ccoc1CNc1ccc(Br)cc1C#N 229479222 FUXYILJRJHKTDJ-UHFFFAOYSA-N 291.148 3.834 30 20 CHED CC(C)c1ccsc1C(=O)Nc1cccc(C#N)c1 48889209 WCUXJGDWGNZXDJ-UHFFFAOYSA-N 270.357 3.995 30 20 CHED N#Cc1ccc(CNCC2(Cc3ccccc3)CC2)cc1F 421324242 BQOXOAVZNOFISH-UHFFFAOYSA-N 294.373 3.810 30 20 CHED O/C(=N/CC1(C2CC2)CC1)Nc1scnc1C1CC1 328955056 YSUABEMFEGKVFE-UHFFFAOYSA-N 277.393 3.537 30 20 CHED Cc1cccc(N(C)Cc2ccccc2C#N)c1C 515509066 RUCYOTQVPTZPDC-UHFFFAOYSA-N 250.345 3.812 30 20 CHED Cc1ccnc(C)c1N/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329235780 IXEWDWXPBQFLKO-SOUVJXGZSA-N 287.407 3.993 30 20 CHED C[C@@H]1CC[C@H](Nc2ccc(C#N)c(Br)c2)C1 228197062 MNAAZZPODHXTQD-KOLCDFICSA-N 279.181 3.921 30 20 CHED Cc1cccc2cc(C(=O)NCc3cccc(C#N)c3)oc12 149035717 FVWZSWGAPQKGBB-UHFFFAOYSA-N 290.322 3.543 30 20 CHED Cc1ccoc1CN(C)[C@@H](C)c1cccc(C#N)c1 429403964 GOENAEWTGGSZOB-ZDUSSCGKSA-N 254.333 3.653 30 20 CHED C=CC[C@@H]1N(C[C@H]2CCSC2)CCCC1(C)C 425997185 WJNHTTHDOBOOJF-KGLIPLIRSA-N 253.455 3.806 30 20 CHED C=CC[C@H](CC)NC(=O)CCC(=O)c1cc(C)sc1C 337098434 TUIGDQZLBYTOTI-ZDUSSCGKSA-N 293.432 3.799 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C(C)(F)F)cc1)C(C)(C)C 816701862 MLRNDUDOFFGAEY-CYBMUJFWSA-N 279.330 3.576 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(OCC)c(Cl)c1 424817992 FMHIQZOXVXNYSP-UHFFFAOYSA-N 295.810 3.957 30 20 CHED N#Cc1ccc(Br)c(CNc2ccccc2)c1 191694548 JDGRMCBVDWFRGD-UHFFFAOYSA-N 287.160 3.933 30 20 CHED COc1ccc([C@H](C)CCNc2cnccc2C#N)cc1 94167108 ZPWNNDJMLCTESI-CYBMUJFWSA-N 281.359 3.568 30 20 CHED C[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)[C@@H]1C 92737231 BDHSXAVLDUGTBA-JKSUJKDBSA-N 286.419 3.990 30 20 CHED N#Cc1nc(N2CC[C@@H]2c2ccccc2)ccc1Cl 335786867 GXSKHKJSRGAXLV-CQSZACIVSA-N 269.735 3.558 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CCc3c(C)cccc32)n1 517092698 OHELGADDDYHJFQ-KRWDZBQOSA-N 277.371 3.978 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)C2(C)CC2)cc1 91900482 OZEYUOBQNSJDCI-KBPBESRZSA-N 272.392 3.598 30 20 CHED C=CCCC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 338603499 NNSAFAXNOZRGMK-UHFFFAOYSA-N 270.376 3.509 30 20 CHED CCC1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCCCC1 333754495 YIKLZTBDBOQQSR-GOSISDBHSA-N 288.435 3.937 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCc1ccc(C)cc1 436318844 ZAALEBSFMMAKQJ-UHOSZYNNSA-N 287.447 3.887 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1cccc2ccsc12 336439908 RISCOZMRYFTLIB-SNVBAGLBSA-N 273.361 3.525 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1c(F)cccc1F 336100088 JPRBTZANWSKKAV-JTQLQIEISA-N 266.291 3.537 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](CC)c1ccc(OC)cc1 346144562 ZKAAUVHSAAGBSK-GDBMZVCRSA-N 290.407 3.800 30 20 CHED C#C[C@H](C)OC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 246653240 WYXZUQOIUGSVTB-ZLIFDBKOSA-N 264.324 3.508 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(NC(C)=O)cc1 349357522 TXCZQVRFJZSTKY-ZDUSSCGKSA-N 260.381 3.652 30 20 CHED CCCN(CC#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 437690672 ZPBKMYGJZFRVTR-DLBZAZTESA-N 256.393 3.732 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[C@H](Cc2ccccc2)C1 435739236 FPZDWNUIUDVHTR-WTGUMLROSA-N 299.458 3.969 30 20 CHED C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nccc3ccccc23)[C@H]1C1CC1 529000981 USFIKFBAYLDCIL-QYHDQYMBSA-N 290.366 3.703 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1nccc(C)c1C#N 343535859 SKLBFFYPOGXYOE-MRXNPFEDSA-N 263.344 3.670 30 20 CHED N#CCCCN[C@@H](c1cccnc1)c1cc2ccccc2o1 346838268 RJIOJVSCJWGGPS-SFHVURJKSA-N 291.354 3.811 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1nccn1-c1ccccc1 348331886 WOBFSZZXNZFXGL-CABCVRRESA-N 269.392 3.878 30 20 CHED C=CC[C@@H](C)NC(=O)c1cnn(C2CCCC2)c1CCC 344908534 FGDGSDOPYBUFIM-CYBMUJFWSA-N 289.423 3.645 30 20 CHED CC(=O)c1cc(NCc2ccccc2C#N)ccc1F 349705831 KMLBNCGBHREXGP-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C=CCN(CC=C)C(=O)NCc1c(Cl)cccc1Cl 521905829 HPPIIFPNGJECJY-UHFFFAOYSA-N 299.201 3.877 30 20 CHED CC[C@@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 435030336 ZZUUPZHWOYBUMM-OAHLLOKOSA-N 296.414 3.629 30 20 CHED CCOC1(CN[C@@H](CC)c2ccc(C#N)cc2)CCCC1 340461238 FPGFORHDMRFDDA-KRWDZBQOSA-N 286.419 3.948 30 20 CHED COc1ccccc1[C@@H]1CCCN1C[C@H](C)CCC#N 602458911 QSDMIWOABUUAAI-ZBFHGGJFSA-N 272.392 3.772 30 20 CHED C=C(CC)CNC(=O)c1cc2cscc2s1 529468542 SMFLHHNKOJCDMU-UHFFFAOYSA-N 251.376 3.659 30 20 CHED N#CCC1(CN2CC[C@@H]2c2ccc(Cl)cc2)CC1 602779860 SXIXTUJQARBIAT-CQSZACIVSA-N 260.768 3.781 30 20 CHED Cc1cccc2sc(C(=O)NC[C@H](C)C#N)c(Cl)c12 609524716 YWXJIOVRYKSRPQ-MRVPVSSYSA-N 292.791 3.753 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc2ccccc2o1 435744452 XNLYQRQIEFJTIE-PBHICJAKSA-N 271.360 3.504 30 20 CHED C=CCCCCCN(C)C(=O)Cc1cccc2cccnc12 606881423 MGVKPECOCXRLLF-UHFFFAOYSA-N 296.414 3.982 30 20 CHED COc1cccc(C=Nc2cc(F)ccc2C)c1O 254302470 GTSGMCJKJUUWIE-UHFFFAOYSA-N 259.280 3.599 30 20 CHED N#C[C@@H]1CC[C@H](N2CCc3ccc(C(F)(F)F)cc3C2)C1 602928477 OGBZURZFKITSMU-ABAIWWIYSA-N 294.320 3.756 30 20 CHED C=CCNC(=O)CSCc1cccc(Cl)c1Cl 446699851 DPHYWWOFLOYTMJ-UHFFFAOYSA-N 290.215 3.529 30 20 CHED C=CCC[C@@H](C)NCc1ccccc1-c1cnn(C)c1 349782056 HYJHLRZZWIUUPU-CQSZACIVSA-N 269.392 3.531 30 20 CHED C=CCCN(C)Cc1c(C(=O)OCC)oc2ccccc12 342722937 BZXLKWMQUQDIAS-UHFFFAOYSA-N 287.359 3.617 30 20 CHED N#CC1(CSc2nnc(C3CC3)n2-c2ccccc2)CC1 347026157 ZQLJVYDNOUDBIK-UHFFFAOYSA-N 296.399 3.541 30 20 CHED CCCN1C(=O)CCc2cc(NC[C@@H](C)CCC#N)ccc21 602604199 OOVXRZGOPDWQPM-AWEZNQCLSA-N 299.418 3.728 30 20 CHED C=CCCOCCN[C@H]1c2cccc(F)c2CC[C@@H]1C 537952039 NUXMTFCTFAVWRB-SUMWQHHRSA-N 277.383 3.631 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C2CC2)noc1C 449913516 JAMMCOVIMWMGCX-UHFFFAOYSA-N 276.380 3.679 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCn1ccc2ccccc21 539437020 WQWWTEBDHGTYBW-OAHLLOKOSA-N 284.403 3.892 30 20 CHED C=C(CNC1CCC(C)(C#N)CC1)c1ccccc1 449104711 WUTLFWWSZQGNMW-UHFFFAOYSA-N 254.377 3.762 30 20 CHED C[C@H](C#N)CN(Cc1cccc(-c2ccncc2)c1)C1CC1 354045091 PREKXBDNVDBZRY-OAHLLOKOSA-N 291.398 3.873 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C[C@H](C)CCC#N 602476564 XPWIYDOXSPRSSI-HLLBOEOZSA-N 256.393 3.804 30 20 CHED C=CCCC1(C(=O)NCC[C@H](OCC)C2CCCC2)CC1 356263412 LNLUSTRSKUTTHO-INIZCTEOSA-N 293.451 3.834 30 20 CHED N#Cc1csc(-c2nc(-c3ccc(Cl)cc3)no2)c1 530734908 NCDFFEITYOUSTI-UHFFFAOYSA-N 287.731 3.990 30 20 CHED C=CCC1(C(=O)NCc2cc(C)cc(C)c2)CCC1 618158904 FUOURHWYICDAPY-UHFFFAOYSA-N 257.377 3.666 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC(C)(C)C1 352080023 SWHHLTCVAZWBDW-CYBMUJFWSA-N 271.364 3.567 30 20 CHED N#Cc1cccc(OCCN2CCSc3ccccc32)c1 532771275 LLDLTNJIDVFCRZ-UHFFFAOYSA-N 296.395 3.549 30 20 CHED C=CCCN1CCCC[C@H]1c1nc2ccccc2n1C 533065500 WTAQAPWBRCPJIF-INIZCTEOSA-N 269.392 3.676 30 20 CHED CCN(Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C 444658204 MWUMERWCFMTCJP-RHSMWYFYSA-N 256.393 3.959 30 20 CHED Cc1cc(CN[C@H]2CSc3ccccc32)ccc1C#N 444000787 ILICBGIDRNTRJQ-INIZCTEOSA-N 280.396 3.803 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 446640708 YNMISSXPZANUBK-ZWKOTPCHSA-N 298.430 3.781 30 20 CHED CC(C)c1cccc(N/C(N)=N/Cc2cccs2)c1 262396504 ZFIQOFJGBWDBMX-UHFFFAOYSA-N 273.405 3.798 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(O)c1 619755865 WSKYGGQOVOSHNF-LLVKDONJSA-N 286.762 3.768 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 537308584 SVUKXPIHDQDMTC-KBPBESRZSA-N 286.419 3.967 30 20 CHED N#CCCN(Cc1cc(-c2ccc(F)cc2)no1)CC1CC1 357955533 GBFZYLQTZCZOEP-UHFFFAOYSA-N 299.349 3.606 30 20 CHED C=C(C)CCN[C@@H]1CCC[C@@H](c2ncccc2C)C1 449470942 BRXZCHPGDBDGRQ-HZPDHXFCSA-N 258.409 3.972 30 20 CHED C/C=C/c1ccc(NC(=O)N[C@H](CC)CC#N)cc1 353268564 YEBUXWCQPLBOIR-MASHWEEQSA-N 257.337 3.533 30 20 CHED CC(C)[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CS1 619847284 NSFGBVSNFIXYJR-HIFRSBDPSA-N 294.851 3.831 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H](C)CCSC 351076599 UBTYYEOLWMXTSH-OLZOCXBDSA-N 296.484 3.555 30 20 CHED CC[C@H](CC(=O)N(C)c1ccc(C#N)cc1)C(C)C 269627995 FCVGBSHTEFKYRP-CQSZACIVSA-N 258.365 3.593 30 20 CHED C=CCCOCCCCC(=O)Nc1nccc2ccccc12 615884788 NZXDYWODEQHOCS-UHFFFAOYSA-N 298.386 3.936 30 20 CHED N#C[C@H]1CC[C@H](NCCc2c[nH]c3cc(Cl)ccc23)C1 619672684 RWKRIHUOBKIQLE-FZMZJTMJSA-N 287.794 3.646 30 20 CHED Cc1ccc(OCCN[C@H](C)c2ccc(C#N)cc2)c(C)c1 538398763 TUKSDTXRHNDVJX-MRXNPFEDSA-N 294.398 3.905 30 20 CHED C=CCC1(NC(=O)CCC2CCCCC2)CCOCC1 618245067 GQTLCELQIDEORG-UHFFFAOYSA-N 279.424 3.588 30 20 CHED CC(C)(CNC(=O)[C@@H](C#N)CCc1ccccc1)C1CCC1 456114535 ATPJNOCZIXCCEI-MRXNPFEDSA-N 298.430 3.701 30 20 CHED C#CCCCC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 365376594 DUKCHVXBQXYIEM-OAHLLOKOSA-N 296.370 3.685 30 20 CHED CCCC[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#N)c1 619697494 AYLGCGGNYFQJIP-OLZOCXBDSA-N 258.365 3.562 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnc2ccsc2c1 453376234 XSPVKDUBFZAXJM-LNSITVRQSA-N 288.416 3.681 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1ccc(F)cc1 453368677 UWTSZYQMSFULKU-XHSDSOJGSA-N 263.356 3.600 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)c2ccsc2)CC1 453101693 OORUJTIWNXDARX-MRXNPFEDSA-N 278.465 3.829 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc2ncccc12)OCC 270132994 PKRYTKNQVBDMLW-MRXNPFEDSA-N 284.359 3.545 30 20 CHED CC[C@@H](N[C@H](C)CC(C)(C)OC)c1ccc(C#N)cc1 278690973 KJZMPRYNAOVSMY-CZUORRHYSA-N 274.408 3.803 30 20 CHED C=CCC[C@H](CC)NCC1([C@H](C)CCO)CCC1 540605102 BVFGGZXOMXIOIN-CABCVRRESA-N 253.430 3.510 30 20 CHED C#CCCCC(=O)N1CCC(=Cc2cccc(OC)c2)CC1 276971907 FVNZZNFBBMQOEX-UHFFFAOYSA-N 297.398 3.505 30 20 CHED C=CCN(CC(=O)Nc1c(C)cccc1C(C)C)C1CC1 271530330 XCTLHISNOMCEKR-UHFFFAOYSA-N 286.419 3.707 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2ccc(CC#N)cc2)c1C 270340475 QKKDMSLPBUHFFW-HNNXBMFYSA-N 292.382 3.861 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(-c2cccnc2)noc1C 368602327 JKVUITRQAIRXGD-LBPRGKRZSA-N 299.374 3.520 30 20 CHED CCC[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C1CCC1 458329252 LLWOITWEWCBABA-SUMWQHHRSA-N 284.403 3.747 30 20 CHED C=CC(C)(C)CNC(=O)NCc1nc(C(C)C)c(C)s1 454521383 YLKUKOPUOQCKRA-UHFFFAOYSA-N 295.452 3.586 30 20 CHED CC(C)n1ncnc1CS[C@H](C)c1ccc(C#N)cc1 278576139 CWJYMSQPQWHGSP-GFCCVEGCSA-N 286.404 3.725 30 20 CHED CC#CCCCC(=O)Nc1cccc(CSC)c1 545224057 FBKXQDQQARTRCH-UHFFFAOYSA-N 261.390 3.682 30 20 CHED C=CC[C@@H]1N(Cc2nnc(C(C)C)o2)CCCC1(C)C 277950339 ZZFXAEBWPDQDFV-ZDUSSCGKSA-N 277.412 3.760 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1ccc(F)c(F)c1 278270659 AQGQKHIWWFAXFQ-VIFPVBQESA-N 267.275 3.509 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 278950194 OKKPHAVHMKFLGP-DOTOQJQBSA-N 283.415 3.749 30 20 CHED C#Cc1cccc(N(C(=O)c2coc(CCC)n2)C(C)C)c1 273569762 FUOKQSQSOKQFTR-UHFFFAOYSA-N 296.370 3.664 30 20 CHED C=CCC1(NC(=O)NC2CCC(OC)CC2)CCCCC1 459268900 WLYGRRKNMBXYFY-UHFFFAOYSA-N 294.439 3.522 30 20 CHED C=CCOc1cccc(NC(=O)C[C@@H](OCC)C(=C)C)c1 270038483 JIKMYYPKDQDBFX-MRXNPFEDSA-N 289.375 3.561 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cccc2[nH]ccc12 541845611 KEKGBLSXVIBPON-UHFFFAOYSA-N 294.354 3.632 30 20 CHED C=CCCN(C)C(=O)c1oc2c(C)cccc2c1C 276372879 KIYACXBHJQJIOS-UHFFFAOYSA-N 257.333 3.698 30 20 CHED C=CCCN(C)C(=O)NCCCCCc1ccccc1 467011149 SRCUWVREVPSGFS-UHFFFAOYSA-N 274.408 3.617 30 20 CHED C=CCSc1ccccc1C(=O)N1C2CCC1CC2 548599154 NHXKRWKFYSJQKN-UHFFFAOYSA-N 273.401 3.732 30 20 CHED Cc1ccccc1[C@@H]1CCCN1c1nccc(C)c1C#N 541279166 VKLULCVCRUPOCK-KRWDZBQOSA-N 277.371 3.912 30 20 CHED CC(C)Oc1ccc(-c2noc(CC(C)(C)C#N)n2)cc1 288830283 BNJXTZFFHWQDHH-UHFFFAOYSA-N 285.347 3.616 30 20 CHED C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 280636925 XYLYTRRRHXDNSB-KBPBESRZSA-N 284.403 3.891 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 465117918 DHLRPZOWFKMMAN-ZDUSSCGKSA-N 276.339 3.530 30 20 CHED C=CCC1(C(=O)Nc2cccc3c2OCCO3)CCCC1 460013520 UHVZMFPUYFPRRL-UHFFFAOYSA-N 287.359 3.533 30 20 CHED C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1C 280067117 IOACOTFAZHACKZ-KBPBESRZSA-N 284.403 3.748 30 20 CHED C=CC[C@@H](CC)NC(=O)N1c2ccccc2C[C@H]1C 466377272 CUTNLVFRVXBQGJ-TZMCWYRMSA-N 258.365 3.502 30 20 CHED C=CCCCC(=O)N(C)Cc1ccc(F)c(Cl)c1 469984351 SYCSKYFEYQXXNV-UHFFFAOYSA-N 269.747 3.794 30 20 CHED CCCC[C@@H](C)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 289721215 CYOJGKGBAJMERU-CYBMUJFWSA-N 298.390 3.619 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 469901650 MNZOKRYFLNYRPE-UONOGXRCSA-N 294.354 3.925 30 20 CHED CCCC[C@H](NC(=O)c1cccc(C#N)c1)C1CCC1 465115738 TVJYNOWNMOIJPY-INIZCTEOSA-N 270.376 3.647 30 20 CHED C=CCC(C)(C)CNCc1ccc(OC)cc1OC(F)F 550226858 WTYFOQFYRROSCN-UHFFFAOYSA-N 299.361 3.989 30 20 CHED N#Cc1ccc(/C=C\c2ccc(OCC3CC3)cc2)nc1 478918269 VFAIZJDPSKOWGC-CLTKARDFSA-N 276.339 3.912 30 20 CHED C=C(CNc1c(F)c(F)nc(F)c1F)c1ccccc1 808073294 IFVBZERPUJDZCD-UHFFFAOYSA-N 282.240 3.763 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1cccc(O)c1 807572132 COHFCRVDPRPLDW-UHFFFAOYSA-N 290.407 3.670 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 294380853 NNKFSQGDXFHWIW-IAGOWNOFSA-N 284.403 3.733 30 20 CHED CCC(CC)[C@@H](NCCO[C@@H](C)C#N)c1ccccc1 801937151 FPFVKCFNJGORJU-WMLDXEAASA-N 274.408 3.682 30 20 CHED C=CCCC1(C(=O)NC[C@H](C)c2ccccc2)CC1 474211595 VVPBWNBHKBKHQU-AWEZNQCLSA-N 257.377 3.653 30 20 CHED C[C@@H](C#N)OCCN[C@@H](C)c1ccc(F)c2ccccc12 808768209 JKURJJQCOKKRML-STQMWFEESA-N 286.350 3.558 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2ccccc2n1 640514122 GETLAYWEBPIKGO-AWEZNQCLSA-N 281.359 3.807 30 20 CHED C=CCCCC(=O)N[C@@H](C)CSc1ccc(C)cc1 472297826 STHJWQJWARHEBD-AWEZNQCLSA-N 277.433 3.948 30 20 CHED C#C[C@@H](CC)NC(=O)c1coc2ccc(C(C)C)cc12 804620883 YAQWPWDDIVXDCC-ZDUSSCGKSA-N 269.344 3.698 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(OC)c(F)c2)no1 568914078 AQHLTCUNMBRPRY-INIZCTEOSA-N 290.338 3.662 30 20 CHED C=CCC(C)(C)CNC(=O)N(Cc1ccco1)C(C)C 297527394 XSGJTSCRYKBOIY-UHFFFAOYSA-N 278.396 3.802 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(CCC#N)CC1 566149551 IULCFKZTZJRYLT-GDBMZVCRSA-N 291.439 3.538 30 20 CHED C[C@H]1C[C@@H](CCNC(=O)C2(C#N)CCC2)CC(C)(C)C1 470165645 NQIRXMMTCAZABE-UONOGXRCSA-N 276.424 3.649 30 20 CHED C=CCCCCNC(=O)Cc1ccc(OCC(C)C)cc1 471689950 VDSIXETYAHPAKK-UHFFFAOYSA-N 289.419 3.736 30 20 CHED N#CCCC1CCN(CCSc2ccccc2F)CC1 564208808 WGGOMNGSDCSDST-UHFFFAOYSA-N 292.423 3.934 30 20 CHED C=CCc1ccc(OCc2conc2CC)c(OC)c1 568240404 LLAJMMSGZZOVOB-UHFFFAOYSA-N 273.332 3.553 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1(Cc2ccccc2)CC1 488884360 RFFMUSCFEJBXFC-MRXNPFEDSA-N 269.388 3.576 30 20 CHED CC(C)OCCON=Cc1ccc(F)cc1C(F)(F)F 812238111 RWRPMXWWECTNFP-UHFFFAOYSA-N 293.260 3.620 30 20 CHED CSCC(=NOC/C=C\Cl)c1ccccc1 811667886 GCRYVXWOFCRIJU-VTXOPUTDSA-N 255.770 3.523 30 20 CHED Clc1ccc2c(NN=Cc3nccs3)ccnc2c1 814693943 OTLJJPDIBIHVGL-UHFFFAOYSA-N 288.763 3.791 30 20 CHED Cc1cc(F)ccc1NN=C1COc2cc(F)cc(F)c21 814885236 SJVVPWMVJLNASA-UHFFFAOYSA-N 292.260 3.621 30 20 CHED O=C1/C(=C\c2ccc(O)cc2)Oc2cccc(Cl)c21 811698494 KQTVZXNEJKLRDG-MDWZMJQESA-N 272.687 3.662 30 20 CHED C[C@@H](NN=C1CCC[C@H](C(F)(F)F)C1)c1ccncc1 819815803 CXXKEEMDEUQWNQ-PWSUYJOCSA-N 285.313 3.841 30 20 CHED C[C@@H]1COC[C@H](c2ccccc2)N1CC#Cc1ccccc1 484063768 GQTLPYIOUSHZEA-YLJYHZDGSA-N 291.394 3.500 30 20 CHED C=CCC(F)(F)C(=O)N1CCS[C@@H](c2ccccc2)C1 815648710 UNQXPNKNHHLWJC-CYBMUJFWSA-N 297.370 3.515 30 20 CHED COc1cccc(O)c1/C=N/CCCOC1CCCCC1 812401749 COEKXNFFNIAHND-QGOAFFKASA-N 291.391 3.559 30 20 CHED C=CCC[C@@H](NC(=O)NOC/C=C\Cl)c1ccccc1 811896582 YKZLTGJGEGTHGT-SMJHDNPOSA-N 294.782 3.677 30 20 CHED C=CCCCCCN1C(=O)O[C@](C)(c2ccccc2)C1=O 810023617 APNHNCULZZJMDC-QGZVFWFLSA-N 287.359 3.627 30 20 CHED N#CC1(COC(=O)/C(F)=C/C2CCCCC2)CCC1 816023317 WWIJJDPJIDHJSL-LCYFTJDESA-N 265.328 3.657 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cccc(F)c2C#N)n1 488284318 VTFYZIVSBGWIKH-UHFFFAOYSA-N 297.358 3.873 30 20 CHED C[C@H](C#N)CNC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 577813043 FYWMPXCLVLRJSG-CJNGLKHVSA-N 299.418 3.549 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2F)cc1O 811628933 OEKKYNKKDPLSOW-UHFFFAOYSA-N 292.285 3.515 30 20 CHED Cc1ccc(C)c(C=NN[C@@H](C)COc2ccccc2)c1 811665287 NFLZODHGMRGZMA-INIZCTEOSA-N 282.387 3.694 30 20 CHED N#CCCN[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 819035629 XQHNRRXQKHDZHY-LJQANCHMSA-N 292.382 3.604 30 20 CHED Cc1csc(NC(=O)N2CCCC[C@H]2C(C)C)c1C#N 570580365 UIERMSIJKFLBKE-ZDUSSCGKSA-N 291.420 3.971 30 20 CHED C#Cc1cccc(N(CC)C(=O)C(F)(F)c2ccccc2)c1 728479095 HPUFUPDGULTGJK-UHFFFAOYSA-N 299.320 3.813 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H]2CCCC[C@H]2C)c1 728481763 VAQCQVUPVMCADY-ZBFHGGJFSA-N 269.388 3.847 30 20 CHED CCC1CCC(N(C)C(=O)c2ccc(C#N)s2)CC1 486818667 KWTOKDOPCWUEMV-UHFFFAOYSA-N 276.405 3.661 30 20 CHED CC(C)(C)CCCNC(=O)N1CCC(CCC#N)CC1 579466452 CMQUOQDGMMWEGT-UHFFFAOYSA-N 279.428 3.538 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(O)c(C)c1 728226643 VMVHUZFOKOLPLJ-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCCCCC#N 494619130 UIIOEZJHDQMILD-KBPBESRZSA-N 279.428 3.536 30 20 CHED C#Cc1cccc(CNCc2c(C)nn(C(C)(C)C)c2C)c1 825227103 QEXOSJFGXHKFET-UHFFFAOYSA-N 295.430 3.526 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1F 821007128 DBKBQRPSXUOALF-QPJJXVBHSA-N 289.237 3.769 30 20 CHED C=CCN(CC=C)C(=O)Cc1csc2ccccc12 492907731 QEKIZJBYWFNHHM-UHFFFAOYSA-N 271.385 3.644 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc2ncccc2c1 820011837 XTXUSYAQRXNHPT-UHFFFAOYSA-N 269.344 3.880 30 20 CHED C#C[C@H](NC1CCC(OCC)CC1)c1ccc(Cl)cc1 825949697 ZXUSIBBYFDTESK-JCYILVPMSA-N 291.822 3.952 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@H](O)C1CCCCC1 727685587 STDYOZQBYJBXTN-SCWSXOCZSA-N 297.398 3.906 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 822764704 QHIWGVPAZKBJRH-OLZOCXBDSA-N 289.375 3.504 30 20 CHED CCC[C@H](C)c1noc(-c2ccc(C#N)cc2OC)n1 903995962 WQGTUHLYLSEKGN-JTQLQIEISA-N 271.320 3.520 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](OC(C)C)C2)CCCCC1 583501201 ASQLWNNSJNUSGI-OAHLLOKOSA-N 279.424 3.539 30 20 CHED Cc1c(Cl)cc(NC(=O)NCC2(C#N)CC2)cc1Cl 582218428 YORYGZRCKPLFFR-UHFFFAOYSA-N 298.173 3.727 30 20 CHED CC(C)(C)C#CC(=O)NCCSc1ccc(Cl)cc1 837316677 KVQGBZCBCUHZGH-UHFFFAOYSA-N 295.835 3.598 30 20 CHED C[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1c(F)cccc1F 839059279 ZRWZDMLUJLBJFX-SRVKXCTJSA-N 293.313 3.694 30 20 CHED CCC(CC)(CC)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839059290 ZYIXHRCEQMKMRR-OLZOCXBDSA-N 251.370 3.828 30 20 CHED C=CC[C@H](NC(=O)c1cccc(OCC)c1)c1ccncc1 734234058 GCNSORNTIKPLJU-KRWDZBQOSA-N 296.370 3.528 30 20 CHED Cc1ccc2oc(C(=O)O[C@H]3CCC[C@H](C#N)C3)cc2c1 839047958 KCCCTCIAWMUOQP-JSGCOSHPSA-N 283.327 3.980 30 20 CHED CSc1ccccc1C(=O)/C=C\c1cncs1 588617983 QGUXQOOCOURLMR-SREVYHEPSA-N 261.371 3.761 30 20 CHED C#CCN(C(=O)Nc1cc(Cl)ccc1C)C(C)C 902936835 BKNGIRBVDOLJIC-UHFFFAOYSA-N 264.756 3.524 30 20 CHED Cc1cc(C)nc(NN=Cc2ccc(OCC(C)C)cc2)n1 730145360 ZZGUQWWIRJYREX-UHFFFAOYSA-N 298.390 3.574 30 20 CHED C#CC[C@@H](NC(=O)NCC1=CCCCC1)c1ccccc1 836376464 GGSUWSFQBGPVEW-QGZVFWFLSA-N 282.387 3.551 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(OCC)c(Cl)c1 581002303 DVKOYUAPPZFOGB-MRXNPFEDSA-N 295.810 3.957 30 20 CHED C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1 903337504 DIKYDOKQSJXOOH-FZKQIMNGSA-N 277.371 3.755 30 20 CHED CCCCCCOc1ccc(C=NNc2cccnn2)cc1 735975699 AXFOVLZCIDOLDN-UHFFFAOYSA-N 298.390 3.882 30 20 CHED C=C(Cl)COC(=O)C(C)(C)Oc1cccc(Cl)c1 733011765 GXHIEYZNOWPMKF-UHFFFAOYSA-N 289.158 3.793 30 20 CHED Cc1nc(/C=C2/C[C@@H](C)c3ccccc3C2=O)[nH]c1C 901486307 ARSRTGWKSVILOM-PEHNMLCRSA-N 266.344 3.800 30 20 CHED CC[C@@H](NCc1ccc(OC)c(O)c1)c1cccc(C#N)c1 902786395 NYIRQFACJIVYNQ-MRXNPFEDSA-N 296.370 3.513 30 20 CHED CC[C@H](NCCCc1ccco1)c1cccc(C#N)c1 903055839 CSVOPHYCYXJTBF-KRWDZBQOSA-N 268.360 3.825 30 20 CHED CC(C)c1ccccc1COC(=O)C1(C#N)CCC1 909016834 BAHZVSYSEAMFIP-UHFFFAOYSA-N 257.333 3.547 30 20 CHED CCCCCOc1ccc(C(C)=NNc2cccnn2)cc1 735977184 UYDMCQXEJDLWQG-UHFFFAOYSA-N 298.390 3.882 30 20 CHED CCC[C@@H](NC(=O)C#CC(C)C)c1ccc(F)cc1F 830053625 XWROJOFLKVLGSQ-OAHLLOKOSA-N 279.330 3.582 30 20 CHED C/C=C\COc1ccc(CC[C@@H](C)NCC2(C#N)CC2)cc1 583418195 VAZYCWUXCKKBON-MJSXRHKHSA-N 298.430 3.856 30 20 CHED C[C@H](CCC#N)N1CCC(c2ccc(N(C)C)cc2)CC1 839562669 ADPLURMLBWWAKG-OAHLLOKOSA-N 285.435 3.624 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C(F)F)cc2)C1 839051725 OPTAJINKWZZCSK-ZWNOBZJWSA-N 279.286 3.863 30 20 CHED C=CC[C@H](NC(=O)NC(C)(C)CCC)c1ccncc1 734947491 PMCZYIYICVOHPQ-AWEZNQCLSA-N 275.396 3.577 30 20 CHED COc1cccc2cc(C(=O)/C=C/c3c(C)n[nH]c3C)oc12 915985100 IKAMOLWBPOMWSW-BQYQJAHWSA-N 296.326 3.677 30 20 CHED COc1ccc(C(C)=NNc2ccc(C)cc2)cc1OC 916250436 GAZSHFRFESZWPX-UHFFFAOYSA-N 284.359 3.848 30 20 CHED C=CCCCOc1c(F)c(F)c(F)c(F)c1F 735415151 FQUXTNWZEQPZRL-UHFFFAOYSA-N 252.182 3.727 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](CC#N)C1 597901897 NUWFOVDKGXOKDJ-IRXDYDNUSA-N 298.430 3.716 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1cc(C#N)ccc1C(F)(F)F 592000494 ABEIREJYTSTZKG-KWQFWETISA-N 286.322 3.883 30 20 CHED C#CCCCC(=O)O[C@@H](CC)c1ccnc(Cl)c1 838920785 SVEILUJGTKPBQN-LBPRGKRZSA-N 265.740 3.533 30 20 CHED CCC[C@H](C(=O)NCC1(C#N)CC1)c1cccc(Cl)c1 599877136 VTLUDJYIWFDFRT-AWEZNQCLSA-N 290.794 3.644 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C)s1 917023373 ZTMMDTMWXGBZJV-UHFFFAOYSA-N 275.333 3.801 30 20 CHED C#C[C@@H](C)OC(=O)Cc1coc2ccc3ccccc3c12 744182414 WVZHMOFNEJGDNX-GFCCVEGCSA-N 278.307 3.693 30 20 CHED Cc1ccc(O[C@@H](C)C/N=C/c2ccccc2O)cc1 743042339 JCPQAOMFGPTTAX-QCUKBLKESA-N 269.344 3.587 30 20 CHED CC(=NNc1ncc(F)cc1F)C1CCCCC1 835022471 KWKWBUOWOCFMSH-UHFFFAOYSA-N 253.296 3.728 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)Oc1cc(C)ccc1Cl 744303808 XOPMBZUKONFJER-GFCCVEGCSA-N 282.767 3.925 30 20 CHED C=Cc1ccc(CCNC(=O)CC2(C#N)CCCCC2)cc1 597676912 CMJPCQUIIYAOIO-UHFFFAOYSA-N 296.414 3.852 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N(CC#N)c1ccc(Cl)cc1 592653976 XENXLECMEFABPE-HOCLYGCPSA-N 290.794 3.879 30 20 CHED Cc1c(C(=O)NCC(C)(C)CC#N)oc2c(F)cccc12 590915903 LZJUYKHQUXVUPI-UHFFFAOYSA-N 288.322 3.550 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F 916269147 UIPLQKMPDZBINN-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1nc2ccccc2s1 915967902 LSGISAJWVRBDDP-UHFFFAOYSA-N 297.387 3.539 30 20 CHED CC[C@H](C#N)C(=O)N(C)C1CCC(C(C)(C)C)CC1 593404628 ZYUNLZHXPADHGC-IYXRBSQSSA-N 264.413 3.599 30 20 CHED CCCCCCCOC(=O)c1ccncc1Cl 745768746 OISBPXJBLXFFIC-UHFFFAOYSA-N 255.745 3.862 30 20 CHED CCO[C@@H](CC/N=C/c1cccc(O)c1O)C1CCCC1 746817108 WARMCCGGCODSBI-IQFISFIMSA-N 291.391 3.502 30 20 CHED C#CC1CCN(C(=O)CC(C)(C)C2CCCCC2)CC1 843699907 CLSAVHGAFOYLNW-UHFFFAOYSA-N 275.436 3.855 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)o1 745611796 JCQFEESTVZAIJC-ZYHUDNBSSA-N 298.346 3.832 30 20 CHED CCCCC[C@@](C)(CC)C(=O)NCC1(C#N)CCC1 841466812 HYSBFVQANMANMJ-OAHLLOKOSA-N 264.413 3.793 30 20 CHED Cc1c(NN=C2CCCC[C@@H]2C)cccc1C(=O)O 844626937 FUDBXKKNMTUXEQ-JTQLQIEISA-N 260.337 3.671 30 20 CHED CCc1ccc(N(CC)C(=O)c2sccc2C#N)cc1 748053305 BNOGAIRHCHIKRS-UHFFFAOYSA-N 284.384 3.849 30 20 CHED Cc1cc(O)ccc1NC(=O)CC1(C#N)CCCCC1 597421581 RMKVMLDPAMPKMV-UHFFFAOYSA-N 272.348 3.503 30 20 CHED C[C@@H]1CC(=NNc2nc3ccccc3[nH]2)C[C@@H](C)C1 747740070 GDVTXWHVFSAMBM-QWRGUYRKSA-N 256.353 3.787 30 20 CHED C=CCN(Cn1nc(-c2ccccc2)oc1=S)C(C)C 917482586 KIQQUXXLXYUMEP-UHFFFAOYSA-N 289.404 3.726 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCSCC1 918136599 PUYGMOCEKZYUKN-CQSZACIVSA-N 286.485 3.741 30 20 CHED C#CCOc1ccc(F)cc1NCc1cccc(F)c1 742263210 UUQVFDARVQNDCX-UHFFFAOYSA-N 273.282 3.589 30 20 CHED N#C[C@H](C(=O)CC1CC1)c1nc(-c2ccccc2)cs1 915101976 LWBOMMXAECCHJH-CYBMUJFWSA-N 282.368 3.786 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C(\C)COC 844298478 UYISUDCLXYWJBD-DHZHZOJOSA-N 299.823 3.509 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1ccc(OC)c(F)c1 840748067 AOXOHVXIAUXYSQ-UHFFFAOYSA-N 296.411 3.723 30 20 CHED CC(C)N(CCc1ccc(C#N)cc1)C1CCCC1 595365156 YEADXGNIQYIIAX-UHFFFAOYSA-N 256.393 3.754 30 20 CHED Cc1ccc(CCC(=O)OCC2(CC#N)CC2)cc1Cl 744279566 RPHSSLFVGHWXBD-UHFFFAOYSA-N 291.778 3.818 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940383 CMTMEQAVCWGBBV-HOSYDEDBSA-N 276.405 3.879 30 20 CHED CCO[C@H](CC(=O)OCCC1(C#N)CCCCC1)C(C)C 840294762 ZENIUKYHJINSRP-OAHLLOKOSA-N 295.423 3.845 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ncccc1F 851141918 DZTGDQZLEAOARV-AAEUAGOBSA-N 263.312 3.512 30 20 CHED C=CCC1(CNC(=O)c2cc(C#N)ccc2F)CCCC1 854849066 KMMOZDAKCVXHMU-UHFFFAOYSA-N 286.350 3.564 30 20 CHED Cc1ccccc1-c1cccc(C=NNC2CCOCC2)c1 757598367 KMDCGCGUJNXEIZ-UHFFFAOYSA-N 294.398 3.765 30 20 CHED CC(C)(CC#N)COC(=O)c1ccc(C2CC2)cc1 850950976 YAADOUWJMCFIMK-UHFFFAOYSA-N 257.333 3.661 30 20 CHED O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1=NOCC(F)F 758898884 ACECFRBNTRIBOQ-JTQLQIEISA-N 298.289 3.575 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)CCC1 682905141 XJJMMLPDYOXGDG-RDJZCZTQSA-N 269.388 3.579 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCCC[C@H](C)C1 685546062 SFHFNINXVZJBMW-KBPBESRZSA-N 276.428 3.604 30 20 CHED CCc1ncc(C=NNc2ccc(Cl)cc2)s1 752157726 OOQHUHIWGWPKTQ-UHFFFAOYSA-N 265.769 3.805 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@H]1CCCC[C@@H]1C 920716939 VIVVJBSWSRPKFR-GXTWGEPZSA-N 287.359 3.689 30 20 CHED Cc1ccc(NN=C2CCc3c(F)cccc32)cc1 921254509 XCJIEIQCAMGZMN-UHFFFAOYSA-N 254.308 3.897 30 20 CHED C=C[C@@H](CC(=O)NC[C@H]1CC1(Cl)Cl)c1ccccc1 758303386 QZTASPXDVCGJTQ-WCQYABFASA-N 298.213 3.656 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1csc(C)n1 920382866 QATWTGJIMFLLPM-JTQLQIEISA-N 259.378 3.526 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H](C#N)C1 928220622 JOFJLQYZXGWMDD-HOTGVXAUSA-N 276.424 3.745 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ccc(Br)cc1F 758369469 GSLQKYCUVRQKSS-JGVFFNPUSA-N 271.133 3.642 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CCC(C(=O)O)CC1 851592852 GPLJWIWWLILNKC-AWEZNQCLSA-N 297.439 3.696 30 20 CHED CCCCCCCCNC(=O)CC1CCSCC1 754849167 FPFQKJPSWZQIGJ-UHFFFAOYSA-N 271.470 3.996 30 20 CHED CCCCCCCNC(=O)N(CC)Cc1ccccn1 858110792 IRACQQSPFVBHKF-UHFFFAOYSA-N 277.412 3.584 30 20 CHED Cc1ccc(F)c(NN=Cc2cc(F)ccc2F)c1 759665968 SRUJKCZNLYSFRR-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@@H](CC#N)c1ccccc1 851205412 ZJRBFCALADHXET-GDBMZVCRSA-N 298.386 3.946 30 20 CHED C#CCCCC/N=C/c1cc(Cl)cc(Cl)c1O 758357844 BWSUGFBDUUGPJU-CXUHLZMHSA-N 270.159 3.921 30 20 CHED CCCCCCCNC(=O)N[C@@H](CC)c1ccncc1 858111288 ZZLAWHCFPCXYSL-HNNXBMFYSA-N 277.412 3.802 30 20 CHED Cc1csc(C=NNc2cccc(Cl)c2F)n1 755673287 LPYGQOLTXSMJCZ-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C#C[C@](C)(CC)NC(=O)c1ccc(C)c(Cl)c1Cl 854705773 OSAVTIVNWQWXBL-CQSZACIVSA-N 284.186 3.834 30 20 CHED CCC1(CC)CCCN(C(=O)c2cc(C#N)ccc2F)C1 855822787 VFHZYRHABZNSRZ-UHFFFAOYSA-N 288.366 3.740 30 20 CHED CS[C@H](C)CC(=O)[C@H](C#N)c1ccc2ccccc2n1 757390773 QRPQRNGTNUHFKE-DGCLKSJQSA-N 284.384 3.553 30 20 CHED C=C(Br)CNC(=O)C(C)(C)C1CCCCC1 766429794 RFFRWWSNJODVHP-UHFFFAOYSA-N 288.229 3.618 30 20 CHED C=C(C)C[C@@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)O 864529063 CGGRMJKQCVGEFE-MRXNPFEDSA-N 299.370 3.764 30 20 CHED C=C1CCN(C(=O)N[C@H](c2ccccc2)C(F)(F)F)CC1 930901562 RJEYKGFYHTZQER-CYBMUJFWSA-N 298.308 3.652 30 20 CHED CCCCCCCCn1cnc(-c2ccccn2)n1 762507090 ATACPQNFNUUWQZ-UHFFFAOYSA-N 258.369 3.701 30 20 CHED CCc1nc2c(s1)[C@H](NCc1ccc(C#N)cc1)CCC2 765011408 ASGACJGJBWGLIA-CQSZACIVSA-N 297.427 3.744 30 20 CHED CCC(C#N)(CC)C(=O)OCC[C@@]1(C)C[C@]1(F)Cl 860839584 SHOGLMRTBJNAPE-WCQYABFASA-N 275.751 3.564 30 20 CHED O=C1/C(=C\c2cncs2)[C@H]2CCCc3cccc1c32 763291538 ZAMXKZCTYBTUTH-AISSWFOISA-N 267.353 3.843 30 20 CHED O=C1/C(=C\c2cccc3c2CCC3)CCc2scnc21 863197932 IRWRTTDAIJPTPI-LCYFTJDESA-N 281.380 3.844 30 20 CHED CC(C)c1nc(/C=C\C(=O)c2ccco2)c2ccccn12 769771482 NZXNRKQZCPSNIH-HJWRWDBZSA-N 280.327 3.947 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1sccc1O 769794308 SLVBWEJKRDQFOL-UHFFFAOYSA-N 297.383 3.516 30 20 CHED CC(=NN=Cc1c(Cl)oc2ccccc12)c1cnccn1 761265969 BDVOWUSMTWUSOB-UHFFFAOYSA-N 298.733 3.719 30 20 CHED CC#CCCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767876613 LBXFXOHBMKTIHF-CQSZACIVSA-N 281.321 3.908 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3CCC[C@@H]3C)[nH]c12 769300770 UEJBKLXPNONLAG-FPMFFAJLSA-N 295.386 3.874 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(C#N)s1 761885753 ZGGJPWOEEXYPFR-UHFFFAOYSA-N 289.335 3.604 30 20 CHED Cc1cc(NN=CC2CCC(C)(C)CC2)nc(C)n1 764683930 UZLPNVKZFOIUSV-UHFFFAOYSA-N 260.385 3.708 30 20 CHED C#CCCN1CCC[C@@H]1c1cccc(Br)c1 760818809 PBIUXTJSDOVOTN-CQSZACIVSA-N 278.193 3.609 30 20 CHED CCCCC[C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 1116322812 PWCMLGXLBSFEJJ-CQSZACIVSA-N 284.403 3.675 30 20 CHED C=CC[C@H](C(=O)Oc1ccc2c(c1)OCO2)c1ccccc1 777401203 ADDBWBXZZROGCU-HNNXBMFYSA-N 296.322 3.681 30 20 CHED C#CCCCCCC(=O)N[C@H](c1ncccc1C)C(C)C 779946677 UFAXPGOGZWDZSF-KRWDZBQOSA-N 286.419 3.787 30 20 CHED O=C1C/C(=C\c2ccccc2Cl)C(=O)c2ccccc2N1 774144040 ZFZICIIYXMQOEP-FMIVXFBMSA-N 297.741 3.949 30 20 CHED CC(C)Oc1ccccc1C=NNc1cc(Cl)ccn1 777906226 VBJBMRHADWOBQB-UHFFFAOYSA-N 289.766 3.968 30 20 CHED C/C(=C/C(=O)OCc1cccc(C#N)c1F)c1ccccc1 774935782 UQRYJFBKIWMNLQ-RAXLEYEMSA-N 295.313 3.844 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C2CCCC2)nn1C 879435724 RBBJIXLDPRKVJJ-UHFFFAOYSA-N 275.396 3.619 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCCC[C@H]1SCC 779929243 LIBMADSSMVRKDY-LSDHHAIUSA-N 281.465 3.751 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc(NCCC)cc1 879774194 UZZDTGVVAJYRIQ-UHFFFAOYSA-N 274.408 3.727 30 20 CHED C=C(CC)COC(=O)Cc1cccc(C(F)(F)F)c1 773437876 ZEFDWZVWDJXGDP-UHFFFAOYSA-N 272.266 3.757 30 20 CHED Brc1ccoc1C=NOC1CCCCC1 777457929 CEOOCADGWRQZQZ-UHFFFAOYSA-N 272.142 3.725 30 20 CHED N#CCC[C@H](NCc1ccc(Cl)cn1)c1ccccc1 778233021 HTNIBOKHUIECEH-INIZCTEOSA-N 285.778 3.870 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 773030355 PBCHIQFXEVJZEL-UYANXQCSSA-N 284.378 3.612 30 20 CHED C=C(CC)COC(=O)CCn1ccc2ccccc21 773477524 XQGUFJIBMKMEBN-UHFFFAOYSA-N 257.333 3.541 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NOC[C@@H]1CCOC1 788037793 YFMSPWQSEMOPKZ-GFCCVEGCSA-N 297.782 3.516 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc(Cl)ccc1Cl 1121161792 XEFDJYAQBLKRDT-SNVBAGLBSA-N 285.174 3.758 30 20 CHED C=CC(C)(C)CC(=O)OCc1c(C)nn(C(F)F)c1C 1122737034 BZEKSZPOKGGXTO-UHFFFAOYSA-N 286.322 3.541 30 20 CHED C=CCCCCCOC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 784844763 KRKIDAJSOSTZDC-ZIAGYGMSSA-N 280.408 3.917 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 781698691 CBEWEFWPKJQVPR-IUODEOHRSA-N 271.360 3.989 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1ccc(CC(C)C)cc1 1123336317 GUEAXUVJWKWTKR-MRXNPFEDSA-N 295.386 3.592 30 20 CHED C[C@@H]1CC[C@@H](C(=O)OCc2ccc(Cl)cc2C#N)C1 780038436 KDFASPHHIACAPM-GHMZBOCLSA-N 277.751 3.691 30 20 CHED C#CCC1(C(=O)N2CCC(C)(C)CC2)CCCCC1 788201802 YXCLUOSTEBDKNM-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CC1(CCCCSc2cccc(C#N)c2)OCCO1 788105961 VIMQJHZBGHIVDP-UHFFFAOYSA-N 277.389 3.584 30 20 CHED C[C@H](C(=O)O[C@@H](CC#N)c1ccco1)c1ccsc1 1123462915 OLDRXAIHCKMCEE-GWCFXTLKSA-N 275.329 3.643 30 20 CHED CC(=NNc1ncncc1Cl)c1ccc(F)cc1Cl 780280567 YGJCGVACLADEBR-UHFFFAOYSA-N 299.136 3.759 30 20 CHED Cc1cccc(CC(=NNCCc2ccccn2)C2CC2)c1 789105212 OFECPFFBVAHNOB-UHFFFAOYSA-N 293.414 3.531 30 20 CHED N#CC1(C(=O)NCCC2CCC(F)(F)CC2)CCCCC1 890063315 NEMKRERSVKEPEM-UHFFFAOYSA-N 298.377 3.792 30 20 CHED CCCCc1nnc(S)n1N=C[C@@H]1CCC[C@H](CC)C1 783798916 KUBNJSKZHJYINN-QWHCGFSZSA-N 294.468 3.960 30 20 CHED CCCCCCCCC(=O)NCC[C@H]1CCCCO1 780315408 RDNJOKCZXGFZEG-OAHLLOKOSA-N 269.429 3.812 30 20 CHED C=CC[C@H](CC)N[C@H]1CCc2ccc(Cl)nc21 788812611 COEXAVDUMBEYSM-RYUDHWBXSA-N 250.773 3.667 30 20 CHED CC(=O)c1cccc(NCc2ccc(C#N)cc2F)c1 73479809 LMLLGHKOYXKOKP-UHFFFAOYSA-N 268.291 3.512 30 20 CHED N#CCCCCOC(=O)c1ncsc1-c1ccccc1 782387036 BSKXHMCWINUDCO-UHFFFAOYSA-N 286.356 3.661 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@H](C)[C@@H]2C)o1 781123627 YSFPMTFYPTZPJY-QWRGUYRKSA-N 274.368 3.894 30 20 CHED CC(C)(C#N)CNC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 781930324 PIEPOCRCXRIUJL-KBPBESRZSA-N 293.455 3.688 30 20 CHED C=C[C@H]1CCCCN1C[C@H](O)c1ccc(Cl)c(F)c1 785997281 KKCFLALMXPAXIE-WFASDCNBSA-N 283.774 3.553 30 20 CHED C=C[C@](C)(CC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 785559574 ZJGRNGYVHFKPJX-GOSISDBHSA-N 288.435 3.703 30 20 CHED CCC[C@@H](C=NOCCSC)c1ccccc1 794574804 QLAIEBZKHRSZQM-AWEZNQCLSA-N 251.395 3.936 30 20 CHED N#CC1(CCCC[S@@](=O)c2cccc(F)c2)CCC1 899287177 SLIYOKGVXPUFGW-LJQANCHMSA-N 279.380 3.797 30 20 CHED C#Cc1ccc(C=NNc2nc(C(F)(F)F)cs2)cc1 792635667 VEEKFISEAZNXAK-UHFFFAOYSA-N 295.289 3.589 30 20 CHED Cc1ccc2oc(CNC(=O)c3csc(C#N)c3)cc2c1 1131049943 KMIKAAKXPCXHBP-UHFFFAOYSA-N 296.351 3.604 30 20 CHED Fc1cc(F)cc(NN=Cc2nccn2-c2ccccc2)c1 790158221 VSTLMGWAXCGBDQ-UHFFFAOYSA-N 298.296 3.597 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C#N)C1 702313865 QQTHLHYECMNDSS-MNOVXSKESA-N 276.767 3.976 30 20 CHED CC1(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CCC1 797566478 LBGCMDBODZGRGU-JTQLQIEISA-N 276.405 3.807 30 20 CHED C#CCCCOc1ccc(CNC(=O)OC(C)(C)C)cc1 795230982 BPJYATPOLPVUFP-UHFFFAOYSA-N 289.375 3.504 30 20 CHED Cc1cc(N[C@@H](C)Cc2ccccc2C)cc(C#N)n1 557511670 MNHWHLODNXQTLM-ZDUSSCGKSA-N 265.360 3.613 30 20 CHED CCCCCCCS(=O)(=O)N[C@H]1CCCc2occc21 799758647 VJXXXUWJCAKPTD-AWEZNQCLSA-N 299.436 3.547 30 20 CHED CC(=NNCCC(C)(C)C)c1ccc(Br)cn1 794531345 UCHMHJXSLCONHW-UHFFFAOYSA-N 298.228 3.594 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c(Cl)c1 562694105 ADYWSOYZPOIBAF-SDDRHHMPSA-N 274.751 3.586 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)OCCC(C)(C)C#N 796323240 FPALBHODSLBSPL-CHWSQXEVSA-N 251.370 3.686 30 20 CHED CCCCc1ccc(OC(=O)c2ccc(C#N)o2)cc1 796997574 VUFSITRVTFLMPG-UHFFFAOYSA-N 269.300 3.713 30 20 CHED CCCCCCCS(=O)(=O)Oc1c(F)cccc1F 799745629 CGOYYWYZZMRHFB-UHFFFAOYSA-N 292.347 3.644 30 20 CHED CCc1cccc(C)c1NN=Cc1c(C)noc1C 799493992 YSVIEVPSCVUVRF-UHFFFAOYSA-N 257.337 3.608 30 20 CHED CC(C)C(CNC(=O)Nc1cc(C#N)ccc1F)C(C)C 1219050242 VHLNKOHVNFDXJU-UHFFFAOYSA-N 291.370 3.747 30 20 CHED C#CCCCCC(=O)NCC(C)(C)CCCCC 692905995 KUJIMOQOPBGWJL-UHFFFAOYSA-N 251.414 3.903 30 20 CHED C[C@H]1CCC[C@H](NC2CC(C#N)(c3ccccc3)C2)C1 86036686 IKVKHJLHRFRLQH-WSDZMALLSA-N 268.404 3.779 30 20 CHED CCc1cccc(CN2CCc3ccc(C#N)cc32)c1 1168925519 QJANUTQXCPQMPM-UHFFFAOYSA-N 262.356 3.683 30 20 CHED Cc1cc(O)cc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 1170122763 VBZDKQNQZXBOPK-HNNXBMFYSA-N 294.354 3.727 30 20 CHED C#CCN(CC1CC1)C(=O)/C=C(\C)c1cccc(Cl)c1 1324383304 ZXIOKCGBVFDYOW-JLHYYAGUSA-N 287.790 3.615 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1C)c1ccc(F)cc1 1321259708 SUZQMXPVRFHEIG-KRWDZBQOSA-N 296.345 3.887 30 20 CHED CCC(=O)c1ccc(OC(=O)c2cccc(C#N)c2C)cc1 1321395176 AVSNLCSYYSASNE-UHFFFAOYSA-N 293.322 3.679 30 20 CHED N#Cc1ccc(Cl)cc1OCCc1ccccc1F 1656381669 BVQXIXWCWKWXBN-UHFFFAOYSA-N 275.710 3.972 30 20 CHED N#CCc1ccc(-c2nnc(CCc3ccccc3)o2)cc1 1322977567 IYITVRMYWINZOJ-UHFFFAOYSA-N 289.338 3.588 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1Cc2ccc(C)cc2S1 1323476539 UIHCQMJNYPQBQP-XJKSGUPXSA-N 289.444 3.873 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc3c(c1)CCC3)C2 1330030926 XLJZZWMPLQENGW-NVMNQCDNSA-N 285.346 3.869 30 20 CHED Cn1c(Cl)cnc1CSCc1ccc(C#N)cc1F 1331364436 NIDNRAHLHCBQKK-UHFFFAOYSA-N 295.770 3.518 30 20 CHED N#Cc1cccc(-c2nnc([C@H]3CC4CCC3CC4)o2)c1 1330097226 CJZVDKPQAKMMAQ-HGMXIMQMSA-N 279.343 3.902 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 1262602877 PCGWMJZDXCYLRZ-MRXNPFEDSA-N 289.375 3.539 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1262654258 BTEKBGLXOJPKFY-QZTJIDSGSA-N 296.414 3.716 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NOCc1ccccc1 103321451 JAKHKBBTMFWUQZ-UHFFFAOYSA-N 296.370 3.516 30 20 CHED N#Cc1ccc(S[C@@H]2CCSC2)c(Cl)c1 1350117274 OQWAXOIQFUYMGB-SECBINFHSA-N 255.795 3.809 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 1351744448 IHXJZQKQKOWJQH-OAHLLOKOSA-N 289.423 3.560 30 20 CHED C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 1353768084 LLDYAWDVPOKTGM-IAVJCBSLSA-N 296.414 3.625 30 20 CHED C[C@@H]1Cc2ccccc2N(C(=O)c2cc(C#N)ccc2F)C1 1359896058 ACPQJWASGSXXRE-GFCCVEGCSA-N 294.329 3.536 30 20 CHED Cc1ccc([C@@H](C)CNC(=O)c2cc(C#N)ccc2C)cc1 1360479279 YEAJZGZLBQUNTN-HNNXBMFYSA-N 292.382 3.709 30 20 CHED CC(C)C(C)(C)CNc1ccc([N+](=O)[O-])c(C#N)c1 218910887 JNMYMQPYZGTUIX-UHFFFAOYSA-N 261.325 3.561 30 20 CHED CCCCc1cc(N[C@H](C)c2cccc(C#N)c2)ncn1 1458596626 PUOBOTXOOMMDEV-CYBMUJFWSA-N 280.375 3.864 30 20 CHED CCCN(CCC(C)(C)C#N)[C@H]1C[C@@H](OCC)C1(C)C 1459541046 YSLUSXQFIZKNLQ-LSDHHAIUSA-N 280.456 3.842 30 20 CHED C=CCC[C@H](C)Nc1ccc(SC)c(C(=O)O)c1 1602857249 OQPFRCZNVSYJIU-JTQLQIEISA-N 265.378 3.873 30 20 CHED CCc1cc(Sc2cccc(F)c2C#N)nc(C)n1 1612538798 IXFSIFXRGKOSEJ-UHFFFAOYSA-N 273.336 3.509 30 20 CHED Cc1ccc(NCc2cc(C#N)ccc2F)cc1F 20053820 JSDRWFWAAVKMQH-UHFFFAOYSA-N 258.271 3.757 30 20 CHED COC(=O)[C@H]1CCCC[C@H]1CSc1ccccc1C#N 1559374189 ZKLWZSISGUJCMH-KBPBESRZSA-N 289.400 3.630 30 20 CHED COc1cc(C#N)ccc1CN1CCC=Cc2ccccc21 1559752928 PQLKTWMKUIBFFM-UHFFFAOYSA-N 290.366 3.990 30 20 CHED C=CCC1(NCc2cccc(C(=O)O)c2C#N)CCCCC1 1588768685 BEPPMCKHEHWQMJ-UHFFFAOYSA-N 298.386 3.625 30 20 CHED C=C(C)C[C@@H](NC(=O)C1CCC(CCCC)CC1)C(=O)O 1588537729 WWKHZYFWYFTCBQ-YMAMQOFZSA-N 295.423 3.519 30 20 CHED C[C@@H]1C[C@H](N=c2cc[nH]cc2C#N)C[C@@H](c2ccccc2)C1 1651143601 DLJCLIOZBISYSL-ZVZYQTTQSA-N 291.398 3.759 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(C#N)cc2)cc1C 1666342587 GNPKQMYVWPNNBI-UHFFFAOYSA-N 279.343 3.843 30 20 CHED CCC[C@H](C)N(C)Cc1ccc(C#N)cc1Cl 162869204 DTZLJWRTOUBPJX-NSHDSACASA-N 250.773 3.832 30 20 CHED Cc1c(NN=C2c3ccccc3C[C@@H]2C)cccc1C(=O)O 1776087064 GMQWFYPTSGCULP-NSHDSACASA-N 294.354 3.702 30 20 CHED C=CCN(CCCCCC(=O)O)Cc1ccc(C)cc1 1776178904 RAYVGIVTKRVDSQ-UHFFFAOYSA-N 275.392 3.628 30 20 CHED C=CC[C@@H](CC(C)C)C(=O)Nc1ccsc1C(=O)O 1776151830 CMFVBKSATXGJOF-JTQLQIEISA-N 281.377 3.623 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC2CCC3(CC2)CC3)C1 1776153944 YRWURCHHEXQHDK-SFHVURJKSA-N 291.435 3.700 30 20 CHED CC(C)[C@@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776063584 XRIGBUWZYYCKKE-SNVBAGLBSA-N 278.327 3.748 30 20 CHED N#CCC[C@H](C#N)CSc1ccc(C#N)cc1Cl 162460476 MRCYZJXGKSBHCG-LLVKDONJSA-N 275.764 3.747 30 20 CHED Cc1ccncc1CNc1ccc(C(F)(F)F)c(C#N)c1 162979571 OHMBZCAPQQAMFZ-UHFFFAOYSA-N 291.276 3.893 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1 160595240 YRPOOSKSXSYRPU-DLBZAZTESA-N 293.370 3.594 30 20 CHED N#CCC[C@@H](NC(=O)Nc1cccc(F)c1)c1ccccc1 163545075 MDMXWCKOKACXMZ-MRXNPFEDSA-N 297.333 3.992 30 20 CHED N#Cc1ccc(N2C[C@@H]3CCC[C@H]3C2)c(Br)c1 168567263 IUPKXIJYBMHZHV-RYUDHWBXSA-N 291.192 3.557 30 20 CHED C=C[C@@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 153639338 GMFYSYYDHQLOCO-OAHLLOKOSA-N 292.382 3.801 30 20 CHED CCCCCC(=O)N[C@@H](CCC#N)c1ccccc1 153671775 AAJRHTIGTHZGHK-HNNXBMFYSA-N 258.365 3.728 30 20 CHED Cc1cc(N(C)C)ccc1NCc1ccc(C#N)s1 155547686 IVIYOTNFQITGMR-UHFFFAOYSA-N 271.389 3.606 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(SCC#N)c1 155896816 NDLAMTGTJIWHQY-DOMZBBRYSA-N 288.416 3.611 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H]1CCc2c(Cl)cccc21 155901627 NHPSCEUJTOMCKY-YGRLFVJLSA-N 295.835 3.751 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc(C#N)c1 155904877 LLDSFTMVACQJMR-CZUORRHYSA-N 270.376 3.599 30 20 CHED Cc1cccc([C@H]2CCCN2CCCC(C)(C)C#N)n1 159919691 QVWHBZRCHJVPKL-MRXNPFEDSA-N 271.408 3.857 30 20 CHED CC#Cc1ccc(C#Cc2ccc(-c3ccc(CCC)cc3)cc2F)cc1 160169019 IBNGSVUVMQHOHD-WBVHZDCISA-N 352.452 6.216 30 20 CHED C=C[C@@H](C)OC(=O)C1(C(F)(F)F)CCCCC1 850969209 OGQHCBNLJGOALE-SECBINFHSA-N 250.260 3.617 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1F 169178082 GIFBLAVPDJCUDP-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C[C@H](Nc1ccc(N(C)C)cc1)c1cccc(C#N)c1 37270316 MFHXOBLETXKGQJ-ZDUSSCGKSA-N 265.360 3.797 30 20 CHED CCCCC1CCC(C(=O)N[C@H](C#N)CCC)CC1 40352417 RMWIXJASRJCYQP-NRXISQOPSA-N 264.413 3.791 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCCC[C@@H]1c1ccccc1 54183728 YNAGZCKBOLIYMW-BRWVUGGUSA-N 256.393 3.995 30 20 CHED C=CCC(C)(C)CN[C@@H](C)CC(=O)Nc1ccccc1 312317760 AZLKOSKZKPKHLF-AWEZNQCLSA-N 274.408 3.596 30 20 CHED CCCCOC1CCN(CCCC(C)(C)C#N)CC1 336802971 WPHKYPXCFSKECP-UHFFFAOYSA-N 266.429 3.597 30 20 CHED Cc1cc([C@H](C)Nc2ncc(C#N)cc2Cl)c(C)o1 339135936 PBHSIIVMYMNMMP-VIFPVBQESA-N 275.739 3.990 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1F 488844569 OKUURHDNVGCLIS-NSHDSACASA-N 267.731 3.660 30 20 CHED CCOc1cc(F)ccc1NC(=O)Nc1ccc(C#N)cc1 56328146 PWUHGYCSPINPJL-UHFFFAOYSA-N 299.305 3.740 30 20 CHED C#CCN(Cc1cc(C#N)cs1)[C@H]1CCc2ccccc21 179204321 HHUNVLCKQXMENE-SFHVURJKSA-N 292.407 3.742 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1(C#N)CCCCC1 178656261 IXCJALKPYKUHFP-CHWSQXEVSA-N 288.416 3.503 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(C)nc1C 176726144 JMWMDHDCADNMQO-UHFFFAOYSA-N 275.396 3.909 30 20 CHED C=C(C)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 28869680 XZBFYUQUSDZUEZ-UHFFFAOYSA-N 265.769 3.793 30 20 CHED N#Cc1ccc(CSCC(=O)OCC2CCCC2)cc1 119744222 CLGLECXBSXYMEY-UHFFFAOYSA-N 289.400 3.525 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(C#N)c2)o1 53163066 GKXAVEFYOGDMPJ-MLGOLLRUSA-N 294.354 3.846 30 20 CHED C[C@@H](NC(=O)CCCC(C)(C)C)c1ccc(C#N)cc1 103373009 SMTYTFUDWUSKOK-CYBMUJFWSA-N 272.392 3.952 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(COC)c2)o1 176680346 DETZHGDNDAFCJX-VQHVLOKHSA-N 270.328 3.885 30 20 CHED C/C=C/C=C/C(=O)Nc1sc(C)c(CC)c1C#N 68677596 WADGQAPSAXBPMV-GFGVWQOPSA-N 260.362 3.561 30 20 CHED CC[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H](C)O1 301618876 LIMWCSANTXMGOX-MFKMUULPSA-N 298.308 3.581 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CCC2CCCC2)C1 116802474 RGGCXQZCYTYLNE-BBRMVZONSA-N 262.397 3.545 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 111901358 WSLYYFYVOGQFHL-DLBZAZTESA-N 284.403 3.706 30 20 CHED N#Cc1cccc(Cl)c1NCCCOC1CCCC1 301400439 IICGMVJENPJBLF-UHFFFAOYSA-N 278.783 3.973 30 20 CHED CCCN(CC1CCCCC1)C(=O)NCCCCC#N 171448561 AGNGBGXWEMVCMG-UHFFFAOYSA-N 279.428 3.682 30 20 CHED Cc1ccc(OC[C@@H](C)Nc2cccc(F)c2C#N)cc1 112012559 IRGIHSDZEFJPRI-CYBMUJFWSA-N 284.334 3.885 30 20 CHED C=CC[C@H](C)NCc1cc(Br)ccc1OC 116927304 HJJKZGAKSRHDNL-JTQLQIEISA-N 284.197 3.512 30 20 CHED CN(Cc1cc2ccccc2o1)c1ccc(C#N)cc1 301485189 WHUOIKYEWWQMTL-UHFFFAOYSA-N 262.312 3.941 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1C 303012278 JUSYONRWAYPLQF-VMPITWQZSA-N 297.310 3.813 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCCC1)c1cc(F)cc(F)c1 120151028 DLVLGHGJHGEWIJ-SNVBAGLBSA-N 279.286 3.653 30 20 CHED COc1cccc(/C=C\C(=O)c2ccccc2)c1OC 38143212 MGTKFVPIOWZSND-QXMHVHEDSA-N 268.312 3.600 30 20 CHED CC(C)CCN(C)c1ccc2cc(C#N)ccc2n1 301971551 GGAUEOSNMXQEQQ-UHFFFAOYSA-N 253.349 3.589 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCOC2(CCCC2)C1 127054426 ITICKADUZIGYJM-LSDHHAIUSA-N 251.414 3.813 30 20 CHED CC1(C)CN(c2c(C#N)cnc3ccccc23)CC(C)(C)O1 302521560 BUBOCSMEMBVQOY-UHFFFAOYSA-N 295.386 3.500 30 20 CHED N#CCN(Cc1ccc(Br)cc1)C1CCCC1 78003556 DVZHDSSRRKBJGT-UHFFFAOYSA-N 293.208 3.717 30 20 CHED N#Cc1ccc(CN2C[C@@H]3CCC(=O)c4cccc2c43)cc1 184802430 FIJRCQCKUOGWKM-HNNXBMFYSA-N 288.350 3.639 30 20 CHED C=CCC[C@H](O)CN(Cc1ccccc1)Cc1ccco1 36103253 YPDAMONRSWZYJC-KRWDZBQOSA-N 285.387 3.609 30 20 CHED CCC(=O)c1cc(Cl)cc(Cl)c1OCCC#N 121615889 UCYZXCHODFXRMA-UHFFFAOYSA-N 272.131 3.879 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@H]1C=CCCC1 187100391 IFXAPNOOAVYFGR-ZDUSSCGKSA-N 284.359 3.642 30 20 CHED CCc1ccc(C(=O)/C=C/c2c(OC)cccc2OC)o1 182253284 WWAPUSYQLGHVRW-MDZDMXLPSA-N 286.327 3.755 30 20 CHED CC1(C)OCc2cc(CNc3cccc(C#N)c3)ccc2O1 186249432 BFVHUSGDZILDHP-UHFFFAOYSA-N 294.354 3.815 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1CCC(F)(F)CC1 501248214 VNTYTTRYSOULPB-ZDUSSCGKSA-N 259.340 3.530 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(OC(F)F)c(F)c2)C1 185727790 ASLRFNQMLDYLTB-NXEZZACHSA-N 284.281 3.921 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)NCC1(C#N)CCC1 416348685 VCVUNZYIJQIJDY-HNNXBMFYSA-N 276.424 3.793 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1noc(-c2ccccc2)n1 187683017 BEEBOIUBFMURFP-ZDUSSCGKSA-N 298.342 3.534 30 20 CHED C[C@@H]1CC=C(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 416342140 YZJANKILIREBEU-FZKQIMNGSA-N 294.398 3.798 30 20 CHED CSC[C@@H]1CCCN1CCC1(C#N)CCCCC1 411324178 KOFIBHSYJMAXRX-AWEZNQCLSA-N 266.454 3.678 30 20 CHED C[C@@H](CCC#N)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 411767717 OJJZRMIEEYXESX-XHDPSFHLSA-N 282.309 3.528 30 20 CHED CCC1(c2ccccc2)CN(c2c(C#N)cccc2C#N)C1 413460389 UHNISQBQNVRVEA-UHFFFAOYSA-N 287.366 3.598 30 20 CHED COc1cc(CN(C)CC2(CC#N)CC2)ccc1SC 602767973 ZNQTZTKFFHYGMV-UHFFFAOYSA-N 290.432 3.543 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccccc1OCC 130282945 SLPMOEBCINWGHE-UHFFFAOYSA-N 287.403 3.512 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)ccc1NC(C)=O 130333430 PVECVQMBSFCDEU-UHFFFAOYSA-N 286.375 3.660 30 20 CHED C=CC[C@H](CC)N[C@H]1CCc2c(F)ccc(F)c21 500813726 IIFJMWYXSHLYMX-HZMBPMFUSA-N 251.320 3.896 30 20 CHED C=CCNC(=O)[C@H](C)SCc1c(C)cccc1Cl 419501932 FNMRVWWHGJQYJY-NSHDSACASA-N 283.824 3.572 30 20 CHED C=CCCCCCS[C@H](C)c1nc(COC)no1 192546342 FMLHYCGKLGCDDH-LLVKDONJSA-N 270.398 3.757 30 20 CHED CC(C)(C#N)CCCSc1ccc2[nH]ncc2c1 413022014 YHBMWYNVXGQYTK-UHFFFAOYSA-N 259.378 3.985 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)C1 328724486 YNVVTWOZIFBPRY-QGZVCZDXSA-N 290.407 3.523 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2scnc2C2CC2)CCC1=O 329038550 SBJJUVWPQCRISH-WCBMZHEXSA-N 278.377 3.614 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 80592265 JWLJQTFUIGIVII-LERXQTSPSA-N 278.783 3.522 30 20 CHED Cc1ccc2c(CC(=O)OCC(C)(C)CCC#N)c[nH]c2c1 195096144 KQFPPOTXFCKDMU-UHFFFAOYSA-N 298.386 3.892 30 20 CHED CC(C)(C)c1ccc(N=C(O)[C@H]2C[C@]23CCOC3)c(O)c1 328641769 DKJHZUSNKJKSMV-PXAZEXFGSA-N 289.375 3.704 30 20 CHED COc1cc(C)ccc1OCCCOc1cccc(C#N)c1 41497458 KOJZVOQPBHFFEB-UHFFFAOYSA-N 297.354 3.723 30 20 CHED C=C(C)CN(CC)C[C@@H](OC)c1ccc(Cl)cc1 513967341 IGJBIDBPCAHUTL-OAHLLOKOSA-N 267.800 3.926 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1cccc(CC#N)c1 510568466 AMPQZCGIIPFXLA-ZBFHGGJFSA-N 284.403 3.699 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc(C3CC3)n2)CCC1=O 329287650 PHRQAXVNRLWEAZ-CMPLNLGQSA-N 272.348 3.552 30 20 CHED CSC1(CNc2ccc(Cl)cc2C#N)CC1 227992742 VRKJDRDCGFYZCM-UHFFFAOYSA-N 252.770 3.519 30 20 CHED N#Cc1cc(Cl)ccc1NCc1ccccc1O 83431042 YXWSECSXKXZYLQ-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2csnn2)cc1 424727996 WLCNKUPTWJMLCK-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C1 429559205 GVRRTZBCUKWXMQ-FZMZJTMJSA-N 294.345 3.780 30 20 CHED C=CCN(C(=O)c1cccc(OCC)c1)c1ccccc1 515640687 HYGIERBPNPKTHK-UHFFFAOYSA-N 281.355 3.918 30 20 CHED C=CCN(Cc1ccc(Sc2ccccn2)o1)C1CC1 512457767 VSZKBXNMGXYBRI-UHFFFAOYSA-N 286.400 3.976 30 20 CHED C[C@H]1OCC[C@H]1SCc1ccc(C#N)cc1Cl 220979940 GGTKNWQRIJXXFJ-NOZJJQNGSA-N 267.781 3.622 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 84710986 MWCRADCHEPOEDQ-GWCFXTLKSA-N 299.292 3.729 30 20 CHED Cc1cc(C)cc(OCCNc2cccc(F)c2C#N)c1 511688076 PWIAJIOLHKQWMH-UHFFFAOYSA-N 284.334 3.805 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 192940821 XEMBEQMOFRHCTI-HNNXBMFYSA-N 292.382 3.974 30 20 CHED N#Cc1ccc(NC(=O)N2CC3(CCCC3)C2)cc1Cl 335863215 BMWUAPGUIIYTAY-UHFFFAOYSA-N 289.766 3.620 30 20 CHED Cc1ccc(F)cc1/C(O)=N/[C@@](C)(C#N)CC(C)C 331067434 QSNIYNCGFCUKKA-OAHLLOKOSA-N 262.328 3.767 30 20 CHED CN(CCCOc1cccc(Cl)c1)[C@@H]1CC[C@H](C#N)C1 429714035 FYJJWODGWQSZEZ-DZGCQCFKSA-N 292.810 3.733 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@H](C#N)C1 424317860 CKPSQPFWFNLJNW-UAGQMJEPSA-N 274.383 3.675 30 20 CHED C[C@@H]1CCC[C@@H](NC2CCN(c3ccc(C#N)cc3)CC2)C1 513702196 FUYLZBFGDVTHEQ-CRAIPNDOSA-N 297.446 3.695 30 20 CHED C/C=C/c1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 336285947 RJDBPFLOPYOWFW-MWDOINLKSA-N 269.348 3.533 30 20 CHED Cc1ccc(-c2noc(-c3cccc(C#N)c3C)n2)cc1 511212499 FPGFYRAKFLHHMT-UHFFFAOYSA-N 275.311 3.892 30 20 CHED C=C1CCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 334361194 BQMLXTZZTRCNDC-NWDGAFQWSA-N 275.314 3.534 30 20 CHED CC1(C)CCC[C@H](c2noc(C3(C#N)CCC3)n2)C1 339793474 ZUKXPJYHKPPDDO-NSHDSACASA-N 259.353 3.699 30 20 CHED Cc1cccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 435359465 TWBOECFUZSCZBW-UHFFFAOYSA-N 294.354 3.906 30 20 CHED Cc1cc(OCc2cccc3cccnc23)ccc1C#N 434648824 PERJOQGGJOWXHY-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCC1 524253958 CBRUUBIVXVAUCS-UHFFFAOYSA-N 299.292 3.553 30 20 CHED C[C@@H](C#N)NC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 432135819 MIVOLZIHDNWWOZ-LBPRGKRZSA-N 284.403 3.677 30 20 CHED C[C@H](Nc1ccc2c(c1)ncn2C)c1cccc(C#N)c1 348808360 LCPVFKQGCFBGGO-LBPRGKRZSA-N 276.343 3.618 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)[C@H]2CCCO2)C1 248874735 JANFNAXRCOYAKZ-BZZMCLGOSA-N 284.403 3.579 30 20 CHED N#CCN(C(=O)c1cccc(Nc2ccccc2)c1)C1CC1 344961564 BSADYEDDNHHAEY-UHFFFAOYSA-N 291.354 3.558 30 20 CHED N#Cc1cnc(NC[C@@H]2CCOc3ccccc32)c(Cl)c1 343041938 JCIUMBKFZGJBHN-LBPRGKRZSA-N 299.761 3.585 30 20 CHED CC1(C)CCC([S@](=O)Cc2ccc(CC#N)cc2)CC1 346085860 HTCRAKDEHTXWNQ-HXUWFJFHSA-N 289.444 3.970 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H]1SCC 343623438 OYDBDYFUXPGHDJ-KGLIPLIRSA-N 267.438 3.545 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ncccc1CC 346369456 IEPXCTAYRYSXQJ-UHFFFAOYSA-N 286.400 3.534 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCCC[C@@H]1CC(C)C 607081025 UDPGHQZAGKIVSO-HZPDHXFCSA-N 281.440 3.785 30 20 CHED C=CCC(C)(C)c1noc(C(C)(C)c2c(C)noc2C)n1 340822521 LTJYSRANHJLXEU-UHFFFAOYSA-N 289.379 3.854 30 20 CHED COc1ccccc1-c1ccc(CNCCCC#N)cc1 344331927 YAVIMNNDNOXNPS-UHFFFAOYSA-N 280.371 3.756 30 20 CHED O=C1/C(=C\c2cccnc2Cl)CCc2ccccc21 255775519 RGJHVHUKLJGLTH-BENRWUELSA-N 269.731 3.948 30 20 CHED C=CC[C@H](C)NC(=O)NCCC(C)(C)c1ccccc1 604895690 GOLKNYCQAOEWPJ-AWEZNQCLSA-N 274.408 3.618 30 20 CHED N#C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C1CC1 601068914 GYUQHHUDHONPCJ-NSHDSACASA-N 263.753 3.611 30 20 CHED CO[C@](C)(CNCc1ccc(C#N)c(C)c1)c1ccccc1 449482879 DKOHUFSCZVIBTR-LJQANCHMSA-N 294.398 3.518 30 20 CHED C=CC[C@@H]1N(CCCCCOC)CCCC1(C)C 444773070 BXGPBWPBRBDAAL-HNNXBMFYSA-N 253.430 3.870 30 20 CHED C=CCCCC[C@H](C)NC[C@H]1CCCn2cc(C)nc21 449174975 ZKKKUUWJKYKCEY-GOEBONIOSA-N 275.440 3.793 30 20 CHED C=CCOc1ccc(CC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 449951878 IRFQMLCDORKIIJ-FUHWJXTLSA-N 299.414 3.585 30 20 CHED O=C(/C=C\c1cccs1)c1cnn(Cc2ccccc2)c1 255886620 DOHWEKKUTDIAHM-HJWRWDBZSA-N 294.379 3.889 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccnc(-c2ccccc2)c1 346883025 QPBONVLWKNQJKY-CQSZACIVSA-N 296.370 3.668 30 20 CHED C=CC[C@H](C)NC(=O)NCCCCCc1ccccc1 604897774 FCVBMSRNURNCGM-HNNXBMFYSA-N 274.408 3.663 30 20 CHED CCOc1ccc(/C=C\c2ccc(C#N)cn2)cc1OCC 255836820 QEKAUPIBVQPJDC-YVMONPNESA-N 294.354 3.921 30 20 CHED C[C@@H](CNc1cccc(F)c1C#N)N(C)c1ccccc1 603857873 WGRSXYQNBRHMRO-ZDUSSCGKSA-N 283.350 3.634 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cccc(C#N)n2)C1 602476234 XAAGWHXWZXIHHT-FZKQIMNGSA-N 295.361 3.675 30 20 CHED CC(C)CN(C)c1ccc(C#N)cc1C(F)(F)F 609962401 VQVCFWHEFNJBCJ-UHFFFAOYSA-N 256.271 3.669 30 20 CHED CC(C)OC(=O)[C@H](C)C/N=C\c1c(O)ccc2ccccc12 255103787 ILSLTUZPTVFQQH-LPXFMOJISA-N 299.370 3.552 30 20 CHED C[C@H](CCC#N)CN1CC[C@@H](C)N(Cc2ccccc2)CC1 602482654 PFGMXPQNLRAHLG-QZTJIDSGSA-N 299.462 3.523 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 608959863 RYSFCEYGGRMAMI-XJKCOSOUSA-N 264.413 3.647 30 20 CHED CO[C@@H](CSCCCCC#N)c1ccc(F)cc1 600637789 VYDPCEVIXUTTJS-AWEZNQCLSA-N 267.369 3.940 30 20 CHED N#CCCCCCC(=O)N1CCC2(CCSCC2)CC1 601741114 SHZTVQKEBIDWID-UHFFFAOYSA-N 294.464 3.596 30 20 CHED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1OC(F)F 442868144 MZWKHVIDLQXUDT-GHMZBOCLSA-N 266.291 3.701 30 20 CHED C[C@H](N[C@H]1CCC(C)(C)C1)c1ccc(C#N)c(F)c1 537405204 WWQVRHXGHVCDAB-FZMZJTMJSA-N 260.356 3.927 30 20 CHED Cc1cc(C)c(CC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(C)c1 538017313 BRKCVNRJKAJMHE-DJJJIMSYSA-N 298.430 3.743 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1csc([C@@H](C)OC)n1 269049241 IBRVYCUHWCUSGB-QJPTWQEYSA-N 268.426 3.541 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 617784255 PUPHGRRERBKIOC-QAPCUYQASA-N 299.414 3.505 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CC1(C)CCCCC1 355641537 GZWURVFVYDFSFS-UHFFFAOYSA-N 285.391 3.899 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc2c(s1)CCC2 264087281 RNEFIDIVADICGP-UHFFFAOYSA-N 290.432 3.639 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)Cc1coc2ccccc12 449302378 VIMXJZDUBJBGQO-CLCXKQKWSA-N 299.414 3.935 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(C)cccc2C)C1 617783019 RNOXDKQDXFYWHN-HNNXBMFYSA-N 257.377 3.732 30 20 CHED C=C[C@H]1CCCCN1Cc1ncc(CSC)s1 353231277 IMVMUQKIMXEBID-NSHDSACASA-N 268.451 3.547 30 20 CHED C=CCN(C)C(=O)Nc1cc(C)c(Cl)c(C)c1 442454315 LZZUUJGCCNWMEV-UHFFFAOYSA-N 252.745 3.607 30 20 CHED Cc1cn(Cc2ccccc2OCC(F)(F)F)cc1C#N 610915541 PZPHETJGHOKHEZ-UHFFFAOYSA-N 294.276 3.658 30 20 CHED C[C@@H](NC(=O)C(C)(C)C#N)c1nc(-c2ccccc2)cs1 264496450 YIDYLWSKONJDNQ-LLVKDONJSA-N 299.399 3.537 30 20 CHED C=CCCCC(=O)NCc1ccc(C)cc1OCCC 446401069 SMKZQQGRNGGDCD-UHFFFAOYSA-N 275.392 3.756 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 353839513 YVIQMBZROBJKNX-SOUVJXGZSA-N 291.439 3.584 30 20 CHED CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CCOCC1 539610072 OOHDPAVBOFGPPJ-SJCJKPOMSA-N 290.382 3.553 30 20 CHED Fc1ccc(Br)c(CON=C2CCC2)c1 265478716 RTVWUWFMWYKQHK-UHFFFAOYSA-N 272.117 3.645 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC(C)C)c(OC)c1 450648007 VECXMRISASZUEJ-UHFFFAOYSA-N 277.364 3.633 30 20 CHED C=C(C)CCNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 615825037 CRZJGTRGEODLTN-DLBZAZTESA-N 271.404 3.728 30 20 CHED CCCN(CC#N)C(=O)c1ccc(OC(C)C)cc1Cl 457491459 OEKUEWMYHDYWGB-UHFFFAOYSA-N 294.782 3.503 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(F)(F)F)C1 615444904 LGOPVJZQAIVOLO-MFKMUULPSA-N 268.282 3.503 30 20 CHED N#CCCCC(=O)Nc1ccc(COc2ccccc2)cc1 360711024 DCVUVHYXHFGFTO-UHFFFAOYSA-N 294.354 3.898 30 20 CHED C[C@H](C#N)CNc1ncnc2scc(-c3ccccc3)c12 531065375 ZOVHOQUURWIKNW-LLVKDONJSA-N 294.383 3.930 30 20 CHED C=C(CNC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1 360214895 YGWXJGJAURJBEH-UHFFFAOYSA-N 294.329 3.750 30 20 CHED CCCN(CC(C)(C)CCC#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 537618395 XZYRNIUOAAFMGB-OAGGEKHMSA-N 292.467 3.842 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2NC)C1 617777728 VRAIDMSMMWBOJW-GFCCVEGCSA-N 292.810 3.810 30 20 CHED C=CC(C)(C)CNC(=O)c1ncsc1-c1ccccc1 452776482 QWYDLDLZFOHFIJ-UHFFFAOYSA-N 286.400 3.752 30 20 CHED N#Cc1csc(CN2CCc3cccc(Cl)c3C2)c1 459710538 QFQLSRSIYJOVMT-UHFFFAOYSA-N 288.803 3.831 30 20 CHED CCOCCC1(CN[C@H](C)c2cccc(C#N)c2)CCC1 271864820 LGEDCFROGUXGGP-OAHLLOKOSA-N 286.419 3.806 30 20 CHED COc1cc(OC[C@@H]2CCCCC2(F)F)ccc1C#N 450920750 APBCZRKQTFFFBA-LBPRGKRZSA-N 281.302 3.771 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCCC(=O)C1 362493161 SXGMYWGBGKKIGZ-QGZVFWFLSA-N 299.414 3.741 30 20 CHED CC#CCCCC(=O)NC1(Cc2cccc(Cl)c2)CC1 456717804 BNZDMYNQPAYZAN-UHFFFAOYSA-N 289.806 3.725 30 20 CHED C=CCC1(C(=O)N(CC)CC(F)F)CCCCC1 450580396 FQKUDJWQEOWWJN-UHFFFAOYSA-N 259.340 3.627 30 20 CHED CCc1cnccc1[C@H](C)NCc1ccc(C#N)c(F)c1 361772614 YUOZYFFLHIQXAZ-LBPRGKRZSA-N 283.350 3.506 30 20 CHED COc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)c1 361559522 SCEQOYKTKNXAJZ-LLVKDONJSA-N 297.314 3.648 30 20 CHED C=CCC1(C(=O)NC[C@]2(C)CCCC[C@@H]2O)CCCCC1 450088972 QQXKQEVPEXZLJP-RDJZCZTQSA-N 293.451 3.570 30 20 CHED CC[C@H](N[C@H](CC)C(F)F)c1ccc(C#N)cc1 453251374 SYGZZSNFWUJOAR-QWHCGFSZSA-N 252.308 3.643 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(OC(F)F)cc1 274416590 HZZRQXAAHRWNIG-LOWVWBTDSA-N 280.318 3.631 30 20 CHED C=CCC1(CNC(=O)N(C)CCC2CC2)CCCC1 455486587 ZQUVXPJDWSGSDE-UHFFFAOYSA-N 264.413 3.564 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 367721225 OMPWJFBIFUWQJG-ULQDDVLXSA-N 283.415 3.995 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1cc(C)ccc1OC 453329419 ACIDOOGXGZXKQU-BBWFWOEESA-N 289.419 3.778 30 20 CHED C=CCN(C(=O)c1cc2cccc(C)c2o1)C1CC1 271560573 SBRHOWANRKCJSU-UHFFFAOYSA-N 255.317 3.532 30 20 CHED C#CCCCN(C)[C@@H](C)c1sc(C(C)C)nc1C 271061425 SODNQEOGJUXYPS-ZDUSSCGKSA-N 264.438 3.981 30 20 CHED C=C(C)CCNC(=O)N1CCCC[C@H]1[C@@H](C)CC 458989352 BBTKWFKZPOCIRN-KBPBESRZSA-N 252.402 3.563 30 20 CHED N#Cc1ccc2[nH]c(=NCc3ccc(Cl)s3)ccc2c1 540078452 WARAAXSFANBWGX-UHFFFAOYSA-N 299.786 3.855 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 361482822 BJGZFBQIWBRQKG-MELADBBJSA-N 290.382 3.726 30 20 CHED C=CCCc1noc(-c2ccc(OC3CCC3)cc2)n1 453240523 UMPHAUQJUBYHOX-UHFFFAOYSA-N 270.332 3.787 30 20 CHED CC(C)(NCc1ccc(F)c(C#N)c1)c1cccs1 544461156 AZXPTLYMLXIGDL-UHFFFAOYSA-N 274.364 3.784 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CCC[C@H]1C 466700599 UCCIMHVYQUALCT-HUUCEWRRSA-N 266.429 3.810 30 20 CHED C=CCOc1ccccc1CNC(=O)CC(CC)CC 469268769 VIRMMOLIAKMDHW-UHFFFAOYSA-N 275.392 3.694 30 20 CHED Cc1cc(C)c(CNCCc2cccc(C#N)c2)c(C)c1 466409960 NTLFBTMZQWDKLM-UHFFFAOYSA-N 278.399 3.816 30 20 CHED C=CCN(C(=O)CCc1ccc(OC)c(F)c1)C(C)(C)C 622943127 OYTQVMDUZHDJBD-UHFFFAOYSA-N 293.382 3.580 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CCC(F)(F)F)CC1CC1 466383219 LAWYGZLLJVEWDN-GFCCVEGCSA-N 292.345 3.715 30 20 CHED C=C[C@@H](C)NC(=O)N1Cc2ccccc2-c2ccccc2C1 464748944 GRPZSKQIVINKDP-CQSZACIVSA-N 292.382 3.953 30 20 CHED C=CC[C@H](C)NC(=O)NCCCCC1CCCC1 466591577 AKOISFFUUOVPPM-ZDUSSCGKSA-N 252.402 3.611 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 281040580 RLAFGJOZVCRUGG-BQYQJAHWSA-N 299.330 3.577 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(F)c(Cl)nc1Cl 281500891 VXAFIBOIVXWOHU-SSDOTTSWSA-N 291.153 3.612 30 20 CHED CC(C)c1cc(Sc2ccc(C#N)cc2F)ncn1 463078046 UYUJKEFJVHVUDY-UHFFFAOYSA-N 273.336 3.762 30 20 CHED C=CCC(C)(C)C(=O)NCCc1cc(C)cc(C)c1 551378015 YYRRVCLACZXVMP-UHFFFAOYSA-N 259.393 3.564 30 20 CHED CC(C)[C@@H]1OCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 287783000 IRNZCEOFWSFLNY-KOLCDFICSA-N 299.827 3.531 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1F 377740819 HJKXZZBBDFRFOX-KRWDZBQOSA-N 294.329 3.675 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC2(CCCC2)c2ccccc21 287618640 SUHYROWRXWZTNW-KRWDZBQOSA-N 282.387 3.785 30 20 CHED CC[C@H](C(=O)NCC1CCC(C#N)CC1)c1ccccc1 282853152 WZUHWSLTRADZDX-DQPZFDDXSA-N 284.403 3.626 30 20 CHED C=CC[C@H](C(=O)N(C)[C@H]1CC[C@H](C)C1)c1ccccc1 464478694 GAWJSRVPLMIRAM-XIRDDKMYSA-N 271.404 3.993 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCC/C=C/CC 467320293 WZUHAJXAONWYON-VFNNOXKTSA-N 269.454 3.889 30 20 CHED N#Cc1ccc(Oc2ccc(OCC3(O)CCC3)cc2)cc1 555581006 KLBQNEQATSTBBH-UHFFFAOYSA-N 295.338 3.644 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1N1CCCC1 473502645 KYHWCDMEBKDNRU-UHFFFAOYSA-N 287.407 3.765 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1cccc(C2CC2)c1 295097995 BLWMJAYTGYOJBQ-ZIAGYGMSSA-N 267.376 3.658 30 20 CHED Cc1sccc1C(=O)Nc1cc(C#N)ccc1NC1CC1 296541439 BFMXBRYXGHFHIB-UHFFFAOYSA-N 297.383 3.755 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C/C=C/c1ccco1 807991341 VXKBZBJQHUIOGB-PLAOTSBASA-N 271.276 3.607 30 20 CHED C=CCCCCCCNC(=O)COC1CCCCC1 805217340 ANGABHBSTPVKJD-UHFFFAOYSA-N 267.413 3.588 30 20 CHED N#CCCCCCC(=O)Oc1cccc2[nH]ccc12 805889581 ZTTRYNMXUBTQMY-UHFFFAOYSA-N 256.305 3.547 30 20 CHED C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)c2ccccc21 563489648 DTEAMUJFOQCFRX-CYBMUJFWSA-N 282.391 3.672 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1ccccc1SC 800024603 UCNWLJWDCRLXDO-CHWSQXEVSA-N 294.416 3.994 30 20 CHED C=CCCCCNC(=O)Nc1cc(C)nn1CCCCC 473691685 HIKIPMKXWTWASH-UHFFFAOYSA-N 292.427 3.860 30 20 CHED Cc1cc(N(C)Cc2cccc(OC(C)C)c2)cc(C#N)n1 561283284 RTPFZEKKUYISOK-UHFFFAOYSA-N 295.386 3.685 30 20 CHED CC[C@H]1CCC1=NNC(=S)Nc1cccc(Cl)c1 807951455 VFUJNFJLXXYPFL-VIFPVBQESA-N 281.812 3.802 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2cccc(C#N)c2)cn1 806566812 PITWDRCMHFZMRK-BQYQJAHWSA-N 291.354 3.542 30 20 CHED C=CCOc1ccc(C(=O)N2CC(C3CCCCC3)C2)cc1 647481606 TYYDYESOFSREPU-UHFFFAOYSA-N 299.414 3.904 30 20 CHED C=CC[C@H](CC)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 291128612 MXUYFLSIJHFBNL-NSHDSACASA-N 262.309 3.564 30 20 CHED CC[C@@H](C)CCC(=O)OCc1ccc(F)cc1C#N 803879580 CMLBFWQBCGSXKW-LLVKDONJSA-N 263.312 3.567 30 20 CHED Cc1cc(C#N)ccc1C(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 294969657 YTYPKJFBEHIYPY-CVEARBPZSA-N 282.387 3.517 30 20 CHED Cc1ccc(-c2csc(NC(=O)CCCC#N)n2)cc1 290863436 AFJVGUPOFXPEJT-UHFFFAOYSA-N 285.372 3.751 30 20 CHED CON(CC(C)(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 804583466 IUYLTUCFUMZAMJ-OAHLLOKOSA-N 288.391 3.510 30 20 CHED CCCCCCCCNC(=O)NC[C@@H]1CCCSC1 807022617 MFVGBHMXNIAXMQ-AWEZNQCLSA-N 286.485 3.789 30 20 CHED N#Cc1cc2c(nc1NC1CCC(F)(F)CC1)CCCC2 390020397 SVEHANOFXVJAOI-UHFFFAOYSA-N 291.345 3.822 30 20 CHED CC(C)(CC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 293400549 OJHKWQBICBHELT-MRXNPFEDSA-N 284.403 3.974 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2oc(CC)nc2c1 294504571 PIBIWXNBXVMGKH-UHFFFAOYSA-N 258.321 3.541 30 20 CHED COc1cccc(NN=C2COc3cc(C)c(C)cc32)c1 814776924 IGWDUPHIGVLTEN-UHFFFAOYSA-N 282.343 3.521 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)c1cccc(Cl)c1 488582025 YBUIQWVIVBITJS-GFCCVEGCSA-N 288.778 3.819 30 20 CHED COc1ccc(F)cc1/C=C1\Cc2c(OC)cccc2C1=O 812243930 VRDKPFVLRDRKGJ-XYOKQWHBSA-N 298.313 3.665 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNCCCOc1ccccc1 814838727 ZJDXBXGHAPJFNY-MRXNPFEDSA-N 299.418 3.751 30 20 CHED O=C1/C(=C/c2cccc3nccn23)Oc2cccc(Cl)c21 811699830 XPLXRUWSZQSRCJ-LCYFTJDESA-N 296.713 3.604 30 20 CHED Fc1ccc(C(C[C@H]2CCOC2)=NOCCC2CC2)cc1 814245568 YBXAHWXKCMHVKZ-CQSZACIVSA-N 291.366 3.773 30 20 CHED Clc1ccc(NN=Cc2cccnc2Cl)cc1 814683601 ILBRZVZAIFEUAM-UHFFFAOYSA-N 266.131 3.834 30 20 CHED COCC(=NOC/C=C\Cl)c1cccc(Cl)c1F 814934184 OAMHZNQYQGJIEB-HELYHJLFSA-N 292.137 3.599 30 20 CHED N#Cc1cccc(NC(=O)C[C@H]2CCc3ccccc3C2)c1 480236315 MUQNCYVPFWPJNA-AWEZNQCLSA-N 290.366 3.692 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)c1cccc(OC)c1 488882252 UZWOWCBDDUNDJE-ZBFHGGJFSA-N 287.403 3.756 30 20 CHED C[C@H]1CCCCC1=NN[C@H](C)COc1ccccc1 811665647 RPCGOEYTROVUJI-UONOGXRCSA-N 260.381 3.610 30 20 CHED C[C@H](NN=C(CC1CC1)c1ccccc1)c1ccncc1 819815677 UAPZUGSWQGACPI-AWEZNQCLSA-N 279.387 3.937 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 484217754 FPSAUCOOOLRYEF-ZIAGYGMSSA-N 264.413 3.585 30 20 CHED CCC(=NNc1cccc(F)c1F)c1ccco1 814859395 QJDHZWBXKHLFJQ-UHFFFAOYSA-N 250.248 3.784 30 20 CHED C=CCN(CCC#N)C(=O)/C=C(\CC)c1ccc(C)cc1 814136373 BFKGTMQRHOZVNM-JQIJEIRASA-N 282.387 3.717 30 20 CHED CC(C)[C@@H]1CC(=NNc2cccc([N+](=O)[O-])c2)CS1 814694408 IXQPKPNCOXEQIR-ZDUSSCGKSA-N 279.365 3.524 30 20 CHED CC(C)(C)c1ccc(CC(=O)N(CC#N)C2CCCC2)cc1 482097992 SMJLUDDWPYSKNF-UHFFFAOYSA-N 298.430 3.821 30 20 CHED Cc1cc(Cl)cc(C=NNc2ccnc(F)c2)c1 814900664 CLHWLRSDQYRWAZ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED Fc1cccc(Cl)c1CCC=NOCC1CC1 814244754 IFSNMCYZEBGYJU-UHFFFAOYSA-N 255.720 3.824 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 819384034 UUUKBPDHYXZWSJ-QGZVFWFLSA-N 297.398 3.592 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1 480575977 GCFMTUDRAPPYIO-UKRRQHHQSA-N 281.334 3.841 30 20 CHED Oc1ccc(C=NNc2ccccc2Br)cc1 812461071 FGAAELCHNMQJIY-UHFFFAOYSA-N 291.148 3.601 30 20 CHED CSc1ccc([C@@H](C)N=c2ccc(C#N)c(C)[nH]2)cc1 487736491 DBDPZTLBYVOKKJ-LLVKDONJSA-N 283.400 3.579 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCCOCC1CCOCC1 657886620 GEIHAPUCSAKHDT-ROUUACIJSA-N 295.467 3.544 30 20 CHED COc1cc(F)cc(NN=C2CS[C@@H](C(C)C)C2)c1 814870387 AACAQHPKIZCHKJ-CQSZACIVSA-N 282.384 3.764 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)C[C@H](C)C1 572260836 MKSPFIJYUNLVHE-SOUVJXGZSA-N 290.455 3.850 30 20 CHED C=CCN(C(=O)[C@@H](CC)OC1CCCC1)c1ccccc1 497575381 RZMUDCYENGYCCJ-QGZVFWFLSA-N 287.403 3.943 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(CCC#N)CC(C)C)cc1 727737878 XAXAYDPPETUKFT-OAHLLOKOSA-N 286.419 3.751 30 20 CHED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCc2sccc21 726889512 DAMWQRGMXJXSOF-DHZHZOJOSA-N 285.324 3.869 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)CC(F)F 728947434 WHYOICWSJYSLJR-LBPRGKRZSA-N 278.387 3.890 30 20 CHED CC(C)C#CC(=O)N[C@H]1CCC(C)(C)c2ccccc21 824627440 NRWGGGWTORTPDX-INIZCTEOSA-N 269.388 3.575 30 20 CHED C=CCN(C(=O)NCc1cc2cc(C)ccc2o1)C(C)C 822257509 JMWMKYIOHCJLEH-UHFFFAOYSA-N 286.375 3.847 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1ccsc1 664839784 NRXFWCMRLVATSE-LLVKDONJSA-N 266.410 3.853 30 20 CHED N#Cc1ccc(NC(=S)N2C3CCC2CC3)cc1Cl 726459990 XPNPOQRXXYSCIL-UHFFFAOYSA-N 291.807 3.535 30 20 CHED N#CCCCCCC(=O)N(C1CCCCC1)C1CC1 588854702 DUAHDUFIWCMVGE-UHFFFAOYSA-N 262.397 3.784 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccccc2)C1 660219255 DUSFICIWRMKRED-LSDHHAIUSA-N 272.392 3.745 30 20 CHED CC(C)Cc1ncc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)s1 905936205 TYHUYVLOSDGOFY-VXGBXAGGSA-N 292.404 3.581 30 20 CHED C=CCCCCCN[C@@H](C(=O)O)c1cccc(C)c1C 905399908 KERDHDVWGORJSR-MRXNPFEDSA-N 275.392 3.765 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)NCC(C)(C)CCC#N)CC2 588341027 KPUFKDLUWBEBAF-INIZCTEOSA-N 299.418 3.612 30 20 CHED N#Cc1ccnc(CSCCCc2ccccc2)c1 901494314 WDRREZXFOPLIMG-UHFFFAOYSA-N 268.385 3.819 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C/c2cccc(F)c2)c1 821023190 ZATQSUBJWMPGGN-MDZDMXLPSA-N 283.346 3.783 30 20 CHED CN(CC(C)(C)C#N)C(=O)CCCc1ccccc1Cl 497443606 SPOWVMPVEPVDEU-UHFFFAOYSA-N 292.810 3.671 30 20 CHED C[C@H](C[C@@H](O)c1ccccc1)NC1CCC(C)(C#N)CC1 824057604 HUOOCMIXLWQWOT-CCGTUFIJSA-N 286.419 3.561 30 20 CHED Fc1cccc(F)c1NN=Cc1ccc(-n2ccnc2)cc1 735615802 YHMWJXCPVHVUHI-UHFFFAOYSA-N 298.296 3.597 30 20 CHED CCN(C(=O)CCCCCC#N)[C@@H]1CCCC[C@@H]1C 588909135 NYVPLKLXVYNWEB-LSDHHAIUSA-N 264.413 3.888 30 20 CHED CC(C)C(N[C@@H]1CCc2ccc(C#N)cc21)C(C)C 589341380 BDGZEJHLAVNYQZ-MRXNPFEDSA-N 256.393 3.816 30 20 CHED CCn1cncc1/C=C/C(=O)c1cc2c(s1)CCCC2 901486289 ZUXITUHRCFDHFG-BQYQJAHWSA-N 286.400 3.739 30 20 CHED C=C(CNCc1cccc(OC)c1F)c1ccccc1 669680634 LOJZCPNQCKMKCD-UHFFFAOYSA-N 271.335 3.637 30 20 CHED C=CCN(C)C(=O)CCc1cc(Cl)cc(Cl)c1 490031300 AQWGXENHNGBBKS-UHFFFAOYSA-N 272.175 3.570 30 20 CHED Cc1cc(C)c(/C=C/C=C2\C(=O)c3ncnn3[C@H]2C)cc1C 905083155 BWQIEHRBIRYEMZ-FNOIDGLDSA-N 293.370 3.600 30 20 CHED CC[C@@H](C)C(C)=NNc1cccc(C(F)(F)F)n1 739420939 BEIXDWMIOHGESY-MRVPVSSYSA-N 259.275 3.934 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)CCCCCC#N 588633691 HAUOUMMSPUCJFV-CABCVRRESA-N 264.413 3.888 30 20 CHED COc1ccccc1CON=C1CCCC12CCC2 834975241 BTYSSNFNTXNPAH-UHFFFAOYSA-N 259.349 3.922 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 839039594 QNYWWDCEOKJBTR-HBNTYKKESA-N 282.792 3.850 30 20 CHED CCc1nc2ccccc2n1N=Cc1sc(C)nc1C 736429805 HIOMXOPEDLIQQM-UHFFFAOYSA-N 284.388 3.554 30 20 CHED CC[C@H](NCC[C@@H](O)C1CCCC1)c1cccc(C#N)c1 903084562 FLJLMPLSZGPJNY-ZWKOTPCHSA-N 286.419 3.540 30 20 CHED Cc1cc(N(C)C)ccc1Nc1ncc(C#N)cc1Cl 734142197 UWKGCNHQOAANIU-UHFFFAOYSA-N 286.766 3.725 30 20 CHED C#CCO[C@H](C)c1nc([C@H](c2cccc(C)c2)C(C)C)no1 834737054 FZTNYKRVJSBCDI-ZBFHGGJFSA-N 298.386 3.877 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(Cl)cc2)C1 839044454 RPDTYRKDSSWETO-MFKMUULPSA-N 263.724 3.579 30 20 CHED C#CCN(CC)C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 730485778 NCDRMNPDZMRGSR-NSHDSACASA-N 298.213 3.654 30 20 CHED C#CCOc1cccc(NC(=O)C(C)(C)c2ccccc2)c1 730979141 AXFMSIFTCXHGEP-UHFFFAOYSA-N 293.366 3.615 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)c1cnccc1C)c1ccccc1 678423475 LCWSTWPTTQZGLE-CVEARBPZSA-N 294.398 3.927 30 20 CHED COc1ccc(C(C)=NNc2cccc(C)c2)cc1OC 916255189 IOJJYXYHNZZMTR-UHFFFAOYSA-N 284.359 3.848 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H]2CCC[C@H](C)C2)c1 919903137 DQBGNAPQGLVGPW-ZFWWWQNUSA-N 270.376 3.616 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(C)C 918063081 MUWUAAIJQCNWCM-HRCADAONSA-N 278.440 3.951 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](CC#N)C1 595491775 XUQZRGVEQITLHI-BZUAXINKSA-N 291.439 3.681 30 20 CHED C[C@H]1SCC[C@H]1Nc1cc(C#N)ccc1C(F)(F)F 592000496 ABEIREJYTSTZKG-LDYMZIIASA-N 286.322 3.883 30 20 CHED Cc1cc(Cl)c(C(=O)N2CCC[C@@H](CC#N)C2)cc1C 597907291 ZJAMVWIPCYMYNC-ZDUSSCGKSA-N 290.794 3.723 30 20 CHED C=C(CNC(=O)[C@@H]1CCC[C@H](C)C1)c1ccccc1 672482817 IIRSOGNXTYUGBF-XJKSGUPXSA-N 257.377 3.642 30 20 CHED C=CCCSCCN[C@H](C)c1sccc1OC 595058723 KBEPOVUUKORFRG-LLVKDONJSA-N 271.451 3.717 30 20 CHED c1ccc2[nH]c(NN=C3C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)nc2c1 915915644 TWMDXMGUYWPZJS-VOAKCMCISA-N 280.375 3.787 30 20 CHED CC(C)n1cc(/C=C2\CCc3cc(C#N)ccc3C2=O)cn1 742437637 PBTIUSGYBLEDBM-LZYBPNLTSA-N 291.354 3.548 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ncc(C#N)cc1C 847743922 KYROQZDFRVGCMP-UHOFOFEASA-N 298.386 3.799 30 20 CHED CC(=NNCC(F)F)[C@H](C)c1nc2ccccc2s1 748789391 QABPTDJSJOXUND-QMMMGPOBSA-N 283.347 3.630 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 675933354 CIJFKPRDCZXKKU-KBPBESRZSA-N 289.423 3.785 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H]1CCN[C@@H](C)C1 841985067 JIVCMORCEOIJRH-JKSUJKDBSA-N 297.487 3.519 30 20 CHED CC(C)c1cccc(C(C)C)c1NC(=O)N1CC(C#N)C1 590103094 LBQZKWMOBSLBMR-UHFFFAOYSA-N 285.391 3.921 30 20 CHED c1ccc(N/C(=N/Cc2cccnc2)N2CCCCC2)cc1 848980379 GAGIKZSLUXJVNR-UHFFFAOYSA-N 294.402 3.536 30 20 CHED C=CCCC(=NNc1ccc([N+](=O)[O-])cc1OC)C1CC1 747753219 DDWSBRNLVLAHQI-UHFFFAOYSA-N 289.335 3.748 30 20 CHED C[C@H]1Cc2cc(-c3ccc(OCCC#N)cc3)ccc2O1 844227674 SGFHBNLVFALTKH-ZDUSSCGKSA-N 279.339 3.969 30 20 CHED COc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cc1C#N 749514086 IECNKQREOOIWRD-AWEZNQCLSA-N 292.382 3.686 30 20 CHED COc1ccc(C=NNc2nccc3sccc23)cc1 915980576 UXFCXQWFWYOSCT-UHFFFAOYSA-N 283.356 3.751 30 20 CHED C[C@@H](C#N)N(Cc1cccc(Cl)c1Cl)C1CC1 595709031 BPFCXBFOAKYTDZ-VIFPVBQESA-N 269.175 3.870 30 20 CHED COCCON=C(Cc1ccccc1)c1sccc1C 748792253 VPADFSBAJWOSHH-UHFFFAOYSA-N 289.400 3.666 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C3CC3)cc2)no1 844550888 PJUZEOIWPZOVES-WTKPLQERSA-N 253.301 3.757 30 20 CHED C=C(C)CCOC(=O)[C@@H]1C[C@]12CCCc1ccccc12 744300452 YEDFSUAYDCUAGV-WMZOPIPTSA-N 270.372 3.790 30 20 CHED CC(C)(C#N)C[C@H](O)COc1c(Cl)cccc1Cl 598701119 JRMOISFCYDSHHG-VIFPVBQESA-N 288.174 3.673 30 20 CHED CC(C)(C)[C@H]1CCCC(=NNC2CCOCC2)CC1 746577843 HZELAHMBQVCXIX-ZDUSSCGKSA-N 266.429 3.737 30 20 CHED CC(C)COc1ccccc1C/N=C\c1cccc(O)c1O 918713598 ZYIRVTAVSUBNOI-ODLFYWEKSA-N 299.370 3.752 30 20 CHED C#CCN(C(=O)Nc1ccc(Cl)c(SC)c1)C1CC1 841738384 XJMAYBRSEYDUPW-UHFFFAOYSA-N 294.807 3.691 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C\C1CCCC1 843547938 QLZXCFHGKYNOAQ-KTKRTIGZSA-N 262.397 3.521 30 20 CHED Fc1ccc(NN=Cc2cccc(OC(F)F)c2)cc1 747040161 LAYUJSLTSMGDQK-UHFFFAOYSA-N 280.249 3.873 30 20 CHED C[C@H](C/N=C/c1ccccc1O)Cc1cccs1 741465277 TVLAAKBFKKCWBO-JASJWYONSA-N 259.374 3.751 30 20 CHED C#CCN(C(=O)c1cc(F)c(F)cc1F)C1CCCCC1 746832916 FBUISMUHJPZRNQ-UHFFFAOYSA-N 295.304 3.512 30 20 CHED CC(Cl)(Cl)C(=O)OCCC1(C#N)CCCCC1 840420293 YXKWZOOCBYIHLD-UHFFFAOYSA-N 278.179 3.588 30 20 CHED N#Cc1ccc(C=NNc2cccc3c2CCCC3)cc1 917553385 WNRJFPDKYAFMFB-UHFFFAOYSA-N 275.355 3.883 30 20 CHED CCCC[C@H](C)NC1CCN(Cc2cccc(C#N)c2)CC1 593703418 UTEKSNUHBULCIM-INIZCTEOSA-N 299.462 3.691 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C 685544482 XPKHIQFVGYACGJ-KBPBESRZSA-N 290.455 3.678 30 20 CHED N#CC1(CC(=O)OC[C@@H]2Cc3ccccc32)CCCCC1 849906547 CNYYHNYNWBWWHK-HNNXBMFYSA-N 283.371 3.734 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H](C)C1CC1 593960275 RWHQHLAXTYEVQV-UONOGXRCSA-N 296.414 3.526 30 20 CHED C=C(C)[C@@H](NC(=O)N1CC(C)(C)C1)c1ccc(F)c(F)c1 683993258 BWJQIEGQVYXDBY-CQSZACIVSA-N 294.345 3.633 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2nc(Cl)c(C#N)s2)C1 841225789 YDIHWNRPIPASDS-DTWKUNHWSA-N 297.811 3.823 30 20 CHED COc1cccc(/C=N\[C@H]2CCc3cc(C)ccc32)c1O 920178111 OHFFUVCNLZFCJG-YLRSXTQRSA-N 281.355 3.816 30 20 CHED C=CCC(CC=C)c1nc(Cc2cccnc2Cl)no1 924236310 IUGKVKVQFWNBAZ-UHFFFAOYSA-N 289.766 3.945 30 20 CHED C[C@H](NCc1ccc2c(c1)CCCO2)c1cccc(C#N)c1 921803212 NVTZYHRUJIRQBC-AWEZNQCLSA-N 292.382 3.734 30 20 CHED Cc1ccc(-c2noc([C@H](C)ON=CC3CC3)n2)cc1F 853734973 LBTBOYSLARMYOZ-JTQLQIEISA-N 289.310 3.658 30 20 CHED C=CCN(CC1CCCCC1)Cn1cc(C)cnc1=S 758322812 KYHFAJBMOTUUJG-UHFFFAOYSA-N 291.464 3.947 30 20 CHED C=CC[C@H](NC(=O)/C=C1/CC[C@@H](C)C1)c1ccncc1 753617064 IOJDODLEEWNLSH-WCEJITFTSA-N 270.376 3.561 30 20 CHED CC(C)c1ccc([C@@H](C)NN=CC2CCOCC2)cc1 755661942 OIPJTTFUFWWYBQ-CQSZACIVSA-N 274.408 3.873 30 20 CHED C=C(Cl)CN1CCC(CCc2ccc(O)cc2)CC1 920206598 PUELYCFLSDCGIE-UHFFFAOYSA-N 279.811 3.789 30 20 CHED N#Cc1cccnc1N[C@@H]1CC2(CCC2)Oc2ccccc21 757785797 FKKRPJJOZBYXGR-OAHLLOKOSA-N 291.354 3.812 30 20 CHED CN(CCCCC1(C#N)CCC1)Cc1nccn1C(F)F 929258925 JWXJSUOSWGHPGK-UHFFFAOYSA-N 296.365 3.574 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12 754869222 SUTKUGTVARUCGS-ARFHVFGLSA-N 296.455 3.604 30 20 CHED CCC[C@H](C(=O)O[C@H](C)C#N)c1cccc(Cl)c1 859803929 JIGQDAKEUROLOX-MFKMUULPSA-N 265.740 3.679 30 20 CHED C(=NNc1ccccn1)c1ccccc1OC1CCCC1 920364368 DKQOWNYLKCTCEY-UHFFFAOYSA-N 281.359 3.849 30 20 CHED CO[C@H](CN[C@H](C)CC(C)(C)C#N)c1ccccc1Cl 925540174 AQFZGBKMOYFMDN-IUODEOHRSA-N 294.826 3.945 30 20 CHED CCCCC[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)C(C)C 855254059 DBLZRQDETPQXCP-JKSUJKDBSA-N 278.440 3.991 30 20 CHED C[C@H](C#N)OC(=O)CCCc1csc2ccccc12 756655751 XTFPNDTYZNTQAB-LLVKDONJSA-N 273.357 3.679 30 20 CHED CCc1cccc(Cl)c1/C=C1/CCn2nccc2C1=O 853009168 GDZVHZPSIZIKTH-BENRWUELSA-N 286.762 3.769 30 20 CHED C#C[C@](C)(CC)NC(=O)CCc1ccc(-c2ccccc2)[nH]1 854700881 HDCOIZJLKOWCSF-LJQANCHMSA-N 294.398 3.532 30 20 CHED C=CCCNC(=O)N[C@@H](C)c1csc2ccccc12 852072412 YPUNIOJCVBRGOD-NSHDSACASA-N 274.389 3.838 30 20 CHED CCOc1ccc(OCCSCC2(CC#N)CC2)cc1 853761394 NVUGYXDLEMLJSD-UHFFFAOYSA-N 291.416 3.891 30 20 CHED C=C[C@H](CC)CC(=O)NCCc1csc(C(C)(C)C)n1 935161555 GDIGRHFWSDHBNU-GFCCVEGCSA-N 294.464 3.702 30 20 CHED C#CC[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 757582271 ZHHNZLGHKWYBEC-KRWDZBQOSA-N 288.350 3.662 30 20 CHED CCCCCCCN[C@H](Cc1ccccc1)[C@@H](C)N 863540006 PKWDGJUPKVCDDW-NVXWUHKLSA-N 262.441 3.505 30 20 CHED CCCCCC[C@@H](C)NN=C1CCCc2nc(O)ccc21 764697216 AGELKQLJDYOCDK-CYBMUJFWSA-N 289.423 3.776 30 20 CHED N#Cc1ccc(OC(=O)c2ccc3sccc3c2)cc1 760231412 MGNNHVILYFXBGU-UHFFFAOYSA-N 279.320 3.992 30 20 CHED Cc1cc(Cl)ccc1C=NNc1ccc(Cl)nn1 767359689 IBVJPDFPPDRDEK-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2cc(F)cc(C)c2C1 935835817 GAXJPEOEIIPCGQ-ZDUSSCGKSA-N 275.367 3.621 30 20 CHED Cc1ccccc1OCC(=O)OCCCCC(C)(C)C#N 768391987 SIJJIJYMSWYFRI-UHFFFAOYSA-N 289.375 3.637 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)c1cccc(F)c1F 766670020 AJOZIFXSVJQNFP-DWOMLUCJSA-N 291.297 3.859 30 20 CHED CC(=NNCC(F)(F)F)c1ccccc1C(F)(F)F 769813188 CFXDAIUGAVATJM-UHFFFAOYSA-N 284.203 3.581 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1cccc(C)c1C 769813285 DKBSPWGGEWCARQ-UHFFFAOYSA-N 277.371 3.689 30 20 CHED C[C@@H](CC(=O)OCCCCC(C)(C)C#N)c1ccncc1 768777196 YZQXHLRULLWCBY-AWEZNQCLSA-N 288.391 3.838 30 20 CHED C#CCC(C)(C)C(=O)OCc1ncc(-c2ccccc2C)o1 767652301 KBELYODEYMNMTK-UHFFFAOYSA-N 297.354 3.743 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 767257941 NHJHBPINNBQROA-DLOVCJGASA-N 296.197 3.577 30 20 CHED N#Cc1ccc(COC(=O)C(F)=C2CCCC2)c(F)c1 761965916 QIILLXPTVJZESV-UHFFFAOYSA-N 277.270 3.538 30 20 CHED CC#CCOC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1116171542 VTLAGLQKOBIHCN-UHFFFAOYSA-N 285.170 3.838 30 20 CHED CCCN(Cc1ccccc1O)C[C@H](C)CCC#N 876655297 YXWOHMZJFFIUBX-CQSZACIVSA-N 260.381 3.544 30 20 CHED C[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F 1117890682 VMDQWCRQBNQNNF-DMDPSCGWSA-N 293.313 3.694 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(CC2(CC#N)CC2)C1 878612372 KUOHYSBYUUEIFW-ZBFHGGJFSA-N 254.377 3.763 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)c(N2CCCC2)c1 874944304 FILVJVNVAVMZFY-UHFFFAOYSA-N 284.403 3.727 30 20 CHED CCC(=NNc1ccc(C)c(Cl)c1)[C@H]1CCOC1 1116120807 DBGQTYOLXITHBV-NSHDSACASA-N 266.772 3.863 30 20 CHED Cc1nc([C@H](C)NCc2cc(C#N)ccc2F)c(C)s1 773030851 VVCICAHXVAHMHJ-VIFPVBQESA-N 289.379 3.622 30 20 CHED C#C[C@@H](OC(=O)[C@H](C)Oc1cccc2ccccc12)C1CC1 774154263 DGZCDOBTMCSGOA-SUMWQHHRSA-N 294.350 3.562 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1cccc(OC)c1 776204007 UFPSVFVGYAFABC-LBPRGKRZSA-N 278.421 3.726 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1cccc(C#N)c1 776782280 HLFWZLFJAUZZQK-UHFFFAOYSA-N 286.338 3.861 30 20 CHED C[C@@H](Oc1ccccc1F)c1nnc(C#CC(C)(C)C)o1 1118367573 QZWFZEJMOCGTLS-LLVKDONJSA-N 288.322 3.746 30 20 CHED C=C(C)COC(=O)c1ccc(NC(=O)c2ccccc2)cc1 878597574 UYEVDSODEILAHS-UHFFFAOYSA-N 295.338 3.672 30 20 CHED C(=NNc1cccc2ccccc12)c1cccc2nccn12 771101255 RHCUPCLMIRKWJQ-UHFFFAOYSA-N 286.338 3.934 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccc(C)cc2S1 1116821461 MDKWFLSTTBZHNM-GDBMZVCRSA-N 287.428 3.579 30 20 CHED C=C1CCC(C(=O)NC2(C)CCC(F)(F)CC2)CC1 889914155 WWTGTBLDEFSYIO-UHFFFAOYSA-N 271.351 3.817 30 20 CHED Clc1ccnc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 777905151 CFJFROODGGPUMS-MGAJPHDKSA-N 275.783 3.959 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccc(F)c(F)c1 776848513 DVIMUSWMJPPRDO-UHFFFAOYSA-N 287.313 3.880 30 20 CHED N#Cc1ccc(CSCC(=O)c2ccccc2)cc1 58240220 IVKLSRUAEUFPPI-UHFFFAOYSA-N 267.353 3.674 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2C[C@H]2c2cccc(F)c2)c1 788318070 MWFMTXNHSBYDMB-NJASAYKTSA-N 285.318 3.515 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)C1CCCC1 789075930 FIXPBQCIQSDFGV-UHFFFAOYSA-N 269.348 3.506 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 1126697545 CSIZJJXRMBKVOO-CORIIIEPSA-N 270.376 3.878 30 20 CHED C=C(CC)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 1123759273 CVHMMJVPUBDHEN-CYBMUJFWSA-N 277.339 3.510 30 20 CHED CCCOc1ccc(C=NOCCC2CC2)cc1OC 783552157 FYVBJWOGDFUFMT-UHFFFAOYSA-N 277.364 3.635 30 20 CHED CC(C)[C@H](F)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 784018669 XIFLNSGLKRWETI-ZANVPECISA-N 294.395 3.677 30 20 CHED CC(=NNCCOC(C)C)c1cc2ccccc2s1 780242978 LJTUOUKKVFSRDK-UHFFFAOYSA-N 276.405 3.640 30 20 CHED Cc1ccc2c(C=NNC3CCCCC3)c[nH]c2c1 786043234 LORSRPLDRRVCKW-UHFFFAOYSA-N 255.365 3.733 30 20 CHED C[C@@H](N[C@@H]1CCc2ccc(Cl)nc21)c1ccc(C#N)cc1 788563105 KZROAJATGZDLLB-IAQYHMDHSA-N 297.789 3.945 30 20 CHED C=CCCN(C)C(=O)/C=C(\C)c1cccc(Cl)c1 786223403 LIHYENUROHIXGS-ZRDIBKRKSA-N 263.768 3.778 30 20 CHED N#C[C@@H](C(=O)c1ccc(C2CCC2)cc1)c1cccc(F)n1 1122720624 KKWYSAFJXNCSND-OAHLLOKOSA-N 294.329 3.978 30 20 CHED C#CC[C@H](Nc1cc(CC)nc(C)n1)c1ccccc1 782151053 SQDAHLGQUCIARJ-INIZCTEOSA-N 265.360 3.524 30 20 CHED CC1(C)CCCC1=NNc1nnc(-c2ccccn2)s1 788030196 MKQFBWNLLJDSCH-UHFFFAOYSA-N 287.392 3.578 30 20 CHED C#CCC(C)(C)C(=O)OCc1cccc(Cl)c1F 786305285 DUHVWTNHXOODHU-UHFFFAOYSA-N 268.715 3.572 30 20 CHED C=CC(C)(C)Cc1nc(-c2c(C)nc3sccn23)no1 896250905 IWXBWKXPGZKZST-UHFFFAOYSA-N 288.376 3.509 30 20 CHED CCSCc1ccccc1C(=O)OCC1(CC#N)CC1 789437901 MBBSIBSLWOHFAM-UHFFFAOYSA-N 289.400 3.790 30 20 CHED Cc1cc(COC(=O)c2cnc(C3CC3)s2)ccc1C#N 783502932 LHQKYDBNNHBGDP-UHFFFAOYSA-N 298.367 3.558 30 20 CHED Cc1cccc(C2(C(=O)OCC3(C#N)CCCC3)CC2)c1 780534082 CTRJGTBRMKVWQA-UHFFFAOYSA-N 283.371 3.654 30 20 CHED CC(Cc1ccccc1F)=NNc1ccc(C#N)cc1 780211281 FUDMLERAHBVCJL-UHFFFAOYSA-N 267.307 3.728 30 20 CHED CSCCON=Cc1ccc(OC(F)F)c(Cl)c1 794574560 JKMJQEGNIXVEQW-UHFFFAOYSA-N 295.738 3.655 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C1CCC12CCCC2 790307392 XRTHZNQEYVAYHF-UHFFFAOYSA-N 277.299 3.856 30 20 CHED C#CCC(C)(C)C(=O)N1CCc2sccc2[C@@H]1CC 185324511 BOUXBDMGJBWEGC-ZDUSSCGKSA-N 275.417 3.633 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)CCN1Cc1ccccc1 396369620 BTAQVKLWDYASQN-KRWDZBQOSA-N 299.462 3.523 30 20 CHED CC(C)O[C@H](C=NNc1ccccn1)c1ccccc1 792916698 ANCRYXLHPUTGAR-OAHLLOKOSA-N 269.348 3.646 30 20 CHED Cc1cc(C#N)cc(NCc2cnc(C3CC3)s2)c1 582527276 GCIQREKRTVVDHG-UHFFFAOYSA-N 269.373 3.813 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NN[C@@H](C)C(C)(C)C 793115261 LYAHRBBZVQLMFU-JTQLQIEISA-N 284.835 3.555 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCC[C@@H]1CC 793829171 GIVNIIUJTWQAFS-QWHCGFSZSA-N 289.341 3.617 30 20 CHED C[C@H](OC(=O)[C@@H]1Cc2ccc(F)cc21)c1cccc(C#N)c1 796074515 PRJGYTGBXXTDPJ-APPDUMDISA-N 295.313 3.641 30 20 CHED N#CCCCOC(=O)c1ccc2c(c1)-c1ccccc1C2 792611146 YLSBLILGHCAKCI-UHFFFAOYSA-N 277.323 3.718 30 20 CHED Cc1nc(SCCCC2(C#N)CCOCC2)sc1C 798368085 PINGNDMRTZJGEN-UHFFFAOYSA-N 296.461 3.953 30 20 CHED C=CCC1(C(=O)O[C@H](C)C(=O)c2ccccc2)CCC1 791560826 PFUPJFBVVOWCOW-CYBMUJFWSA-N 272.344 3.547 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N(CCC#N)CCC(C)C 1144537134 HUPUBSRVJCJMQG-INIZCTEOSA-N 286.419 3.887 30 20 CHED C=CCCCOC(=O)Cc1ccc2ccccc2c1 735525702 MQODEVDTSKEITG-UHFFFAOYSA-N 254.329 3.892 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCC1(C)C 1215786691 SXSISYAVUHKTDL-AWEZNQCLSA-N 285.391 3.815 30 20 CHED N#Cc1cnc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)c(F)c1 1307098350 JSGVRCMPOKNBNV-GOEBONIOSA-N 295.361 3.916 30 20 CHED CCCCCCCC(C)=NNc1nncc(N)c1Cl 1319377493 OGOPMSYBAFHBRG-UHFFFAOYSA-N 283.807 3.861 30 20 CHED CC(C)c1nc(-c2nnc(-c3cccc(C#N)c3)o2)cs1 1322343212 PSWYCLZPHUIQKT-UHFFFAOYSA-N 296.355 3.855 30 20 CHED Fc1ccc(CNN=Cc2ccc(C(F)F)cc2)cc1 1325011448 JZCNBWBWHHTSRY-UHFFFAOYSA-N 278.277 3.887 30 20 CHED CC(=NNc1ccn(C)n1)[C@@H](C)c1nc2ccccc2s1 1326241958 OHANLCATDQTPAI-SNVBAGLBSA-N 299.403 3.621 30 20 CHED Cc1cccc(NC(=O)CC#Cc2ccccc2)c1F 1323476316 SPKBJFVFXWGKSP-UHFFFAOYSA-N 267.303 3.514 30 20 CHED C=C[C@H](COC)NC/C(C)=C/c1ccccc1C(F)(F)F 1325185191 PQJXLEMCZHFNMV-BRADTZPFSA-N 299.336 3.899 30 20 CHED C=C/C=C/CCOC(=O)C[C@H](CC#N)c1ccccc1 1333945085 WDCNAEYJBYHVKO-CWDCEQMOSA-N 269.344 3.749 30 20 CHED C=C1CC(c2noc(-c3cnn(C4CCCC4)c3C)n2)C1 1332757108 NTMDGLAIUBQQDU-UHFFFAOYSA-N 284.363 3.790 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(-c2nncs2)cc1 1348588249 AYXACIUENSUYFE-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CC[C@H](C)[C@H](C)c1nnc(COc2ccc(C#N)cc2)o1 1261426642 XHQLMVIIIIXSNB-RYUDHWBXSA-N 285.347 3.670 30 20 CHED C=C(C)CCC(=O)Nc1cc(OC)c(Cl)cc1OC 1262570788 FISAVJGNGFYXJK-UHFFFAOYSA-N 283.755 3.652 30 20 CHED C=CC[C@H](C)NC[C@H](O)c1ccc(Cl)cc1Cl 1353317232 VGFOESIRFQYJMN-ZANVPECISA-N 274.191 3.581 30 20 CHED Cc1cc(Cl)c(NC(=O)c2cc(C#N)oc2C)cc1C 1436372349 NUJHMRUIRZQJNS-UHFFFAOYSA-N 288.734 3.982 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(-c2cnc[nH]2)cc1 1514860448 XYGYHGLQXAKHPL-INIZCTEOSA-N 295.386 3.648 30 20 CHED C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(CC)C1CC1 1286630816 VUFKTGPUUPFNSR-UHFFFAOYSA-N 296.846 3.608 30 20 CHED N#Cc1cccc(CN2CCCc3ccccc32)c1F 219514504 IHXUVNTXHFLVTE-UHFFFAOYSA-N 266.319 3.650 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1cc(C#N)ccc1F 1529531456 SYYGHGPGBXCBGZ-OCCSQVGLSA-N 288.366 3.644 30 20 CHED Cc1cc(NCC[C@H](C)c2ccccc2)ncc1C#N 1458344568 GWMABMMAWORVBW-ZDUSSCGKSA-N 265.360 3.867 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1ccc(C(=O)O)o1)C2=O 1600552055 AJMKADRLWDPRGY-XNFYSYIQSA-N 282.295 3.670 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)[C@H](CC#N)c1ccccc1 1531654994 XQPVBURHLQFQFY-QGZVFWFLSA-N 290.366 3.582 30 20 CHED CCC1(CNc2nc3ccccc3cc2C#N)CC1 226807477 AYPFOZSNNRRIQI-UHFFFAOYSA-N 251.333 3.709 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1nc2c(cc1C#N)CCC2 226189533 XEILRCIOQFQDLQ-XUJVJEKNSA-N 269.392 3.679 30 20 CHED Cc1cc2ncn(Cc3ccc(C#N)s3)c2cc1C 1473018572 KDTFOQZHPRNNIP-UHFFFAOYSA-N 267.357 3.635 30 20 CHED N#Cc1nc(NCc2cccc3[nH]ccc23)sc1Cl 1640314836 IEBAXZBBQLCFJM-UHFFFAOYSA-N 288.763 3.762 30 20 CHED CC[C@@H](C)CSc1nc2c(c(C)c1C#N)CCC2 1656127046 DWTLBEWXXRSCQW-SNVBAGLBSA-N 260.406 3.889 30 20 CHED CN1CCN(Cc2ccc(Cl)cc2C#N)c2ccccc21 1652792839 DJHCPMBXHKIDEF-UHFFFAOYSA-N 297.789 3.668 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@@H]1c1cccc(F)c1 1653512895 SZXMDAYUUFRKSM-SJORKVTESA-N 266.319 3.837 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CSc1ccc(C)cc1C 1585342955 MXJKIYNOFYLEGV-CQSZACIVSA-N 290.432 3.546 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(F)c(Cl)c1 230400492 BJVDKNAFLAIRPC-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CN(Cc1cccc(C#N)n1)Cc1csc2ccccc12 1657486098 XAYKQIOAEKSFJL-UHFFFAOYSA-N 293.395 3.800 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCC(C)(C)C1CC1 1669600594 PJDAMMJZTAESGL-UHFFFAOYSA-N 285.391 3.815 30 20 CHED Cc1cccc2[nH]c(C=NNc3cccc(C(=O)O)c3)cc12 1776037466 JIIZWHGBYMWUAA-UHFFFAOYSA-N 293.326 3.621 30 20 CHED Cc1ccc(F)cc1C=NNc1cccc(C(=O)O)c1C 1776087681 PZJRZDCKPRZZOM-UHFFFAOYSA-N 286.306 3.587 30 20 CHED CC(C)(C)C1CCN(N=Cc2csc(C(=O)O)c2)CC1 1776057917 PINUKONRIGHCQO-UHFFFAOYSA-N 294.420 3.538 30 20 CHED C=C(C)COCCNCc1cc2ccccc2s1 134504077 ZVUCCHPVPIZDHO-UHFFFAOYSA-N 261.390 3.584 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1Cl 274643237 RLCHDQKKVQXWQL-NHCYSSNCSA-N 266.747 3.822 30 20 CHED C=CCCSCc1noc(-c2ccsc2)n1 151949073 HSEUFUJVRHEFOC-UHFFFAOYSA-N 252.364 3.607 30 20 CHED N#Cc1ccc(N2CCC[C@@H](Nc3ccccc3)C2)cc1 152725290 HFVYCBJEGBREOH-QGZVFWFLSA-N 277.371 3.639 30 20 CHED Cc1cccc2[nH]cc(CC(=O)O[C@H](C#N)C(C)(C)C)c12 154187700 ZJRUCVMOELIKIX-CQSZACIVSA-N 284.359 3.500 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccccc1 5515458 WBRIJHYFOFAUIH-SOFGYWHQSA-N 250.297 3.518 30 20 CHED N#CCOc1ccc(NCc2cc(Cl)ccc2F)cc1 125336972 HOPDSFAVHABLOI-UHFFFAOYSA-N 290.725 3.994 30 20 CHED C[C@H]1CC[C@H](CNc2ccc(C#N)cc2C(F)(F)F)O1 127902668 FVRMVLHLSXWLCX-GXSJLCMTSA-N 284.281 3.556 30 20 CHED N#Cc1ccnc(N(Cc2cccs2)C2CC2)c1Cl 236028102 JXKAJBDYLQBTCD-UHFFFAOYSA-N 289.791 3.837 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 252413966 PWFOAPUHFSRCMB-DMGVNNLFSA-N 270.351 3.934 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCc2ccc(C#N)cc2)o1 37505757 NKDKBCRESUVZGW-BLLLJJGKSA-N 266.344 3.564 30 20 CHED Cc1ccsc1CN(C)C(=O)Nc1ccc(C#N)cc1 45027237 WIRAAMYGRZCULJ-UHFFFAOYSA-N 285.372 3.592 30 20 CHED C#CCCCNCC(c1ccccc1)c1ccccc1 180241011 AVPISNARNPHXFG-UHFFFAOYSA-N 263.384 3.822 30 20 CHED CCCCCCCCC(=O)Nc1cccnc1F 401473700 JTWGKUOKPOSJOJ-UHFFFAOYSA-N 252.333 3.910 30 20 CHED Cc1cc(C#N)cc(NCc2ccc3c(c2)CCC3)c1 308121021 ISWJCLYIKVQTDN-UHFFFAOYSA-N 262.356 3.968 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2c(C)oc(C)c2C)c1 308215498 ZMKDCPIGCUSABT-UHFFFAOYSA-N 268.316 3.637 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCC(F)(F)C2)cc1F 404094189 BJXHEKIFXDQLSX-LBPRGKRZSA-N 282.309 3.612 30 20 CHED CC[C@H](CNCc1ccc(C#N)c(F)c1)CC(F)(F)F 404144364 IPIMOTBFKCYNIB-JTQLQIEISA-N 288.288 3.766 30 20 CHED CC[C@@H]1CCC[C@H](NCCc2cccc(C#N)c2)C1 466425847 PSLQICZNRSQVHB-PBHICJAKSA-N 256.393 3.659 30 20 CHED C=CCN(C(=O)c1cc(C)c(F)c(C)c1)C(C)(C)C 622944839 HKVHFDIFBOTYPW-UHFFFAOYSA-N 263.356 3.869 30 20 CHED N#CC1(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CCCC1 332779334 ODVSMEQXOPMDGF-QLFBSQMISA-N 274.408 3.545 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(C(=O)OC)o1 470911556 VLXRXUYQGUAJTE-UHFFFAOYSA-N 299.370 3.645 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc(F)c(Cl)c1 709988133 BLOSPASJBLGPCN-JTQLQIEISA-N 268.763 3.897 30 20 CHED C=CCC1(NCc2ccc(C#N)c(F)c2)CCCC1 594987935 MXJKMZNSGULCFV-UHFFFAOYSA-N 258.340 3.676 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N1CCC[C@@H](CC#N)C1 597900440 AMZLFFFAQXKZAC-CVEARBPZSA-N 276.424 3.911 30 20 CHED N#Cc1c(Cl)cccc1N1CCCC(F)(F)CC1 599134572 XBAXPTIHAGKIBX-UHFFFAOYSA-N 270.710 3.837 30 20 CHED C=CCCC[C@H](C)NC1CCN(c2ccccc2)CC1 398187549 QLDMVENYMRQUKU-INIZCTEOSA-N 272.436 3.990 30 20 CHED Oc1c(Cl)cccc1C=NOCc1ccccc1 753163407 PUKUVXXAZCXKLW-UHFFFAOYSA-N 261.708 3.596 30 20 CHED O=C1/C(=C/c2cccc(O)c2)CC/C1=C\c1cccc(O)c1 7718182 ZWTZKZDFAIDISY-KAVGSWPWSA-N 292.334 3.928 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc(C#N)c1 56515864 UVJQOEGAKYSFEJ-KRWDZBQOSA-N 291.354 3.676 30 20 CHED CC(C)COCCCNc1cc(Cl)ccc1C#N 225682959 FOACSCRKCWOSKB-UHFFFAOYSA-N 266.772 3.686 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(O)c1 119271585 FEPWLKLTZZCBHP-UHFFFAOYSA-N 280.371 3.676 30 20 CHED N#Cc1ccc(OCc2cc(-c3ccco3)on2)cc1F 108954430 GYHMZOOTMYSCRW-UHFFFAOYSA-N 284.246 3.524 30 20 CHED N#Cc1ccc(CNCC2(c3ccccc3)CCCC2)o1 174258653 MBPVQRJGYVYJLD-UHFFFAOYSA-N 280.371 3.753 30 20 CHED C=CCSCCNC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 175401153 AJYBKAWJRRGAIF-QWHCGFSZSA-N 284.469 3.514 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ncc(CC)s1 179656403 GSTQDBZTGJXUKQ-JTQLQIEISA-N 267.398 3.572 30 20 CHED C=CCS[C@@H](C)c1nc(Cc2ccccc2)no1 173825888 UKURSSHICOAPID-NSHDSACASA-N 260.362 3.641 30 20 CHED COc1ccc(CNc2ccc(C)c(OC)c2C)cc1C#N 172688656 SVRDRBCYNTYSLC-UHFFFAOYSA-N 296.370 3.804 30 20 CHED CSc1ccccc1CN(C)c1cc(C)nc(C#N)c1 343056820 YXQVAOUBVLHXQA-UHFFFAOYSA-N 283.400 3.620 30 20 CHED N#Cc1ccc(OCc2cc(-c3ccccc3)no2)cc1 29358937 YTNARKWALOIEMC-UHFFFAOYSA-N 276.295 3.792 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(N3CCCC3)cc2)n1 62996698 GJMKJOGEAOJFMV-UHFFFAOYSA-N 278.359 3.606 30 20 CHED CC[C@H]1CN(c2cccc(C#N)n2)CC[C@@H]1c1ccccc1 301428430 INEPAIYUKVUTAJ-YJBOKZPZSA-N 291.398 3.973 30 20 CHED Cc1ccccc1C1(C(=O)OCc2ccc(C#N)cc2)CC1 171140773 CGUBSKMOTZFXFL-UHFFFAOYSA-N 291.350 3.642 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1 1348143728 CRXSDRGQVQIISQ-LBPRGKRZSA-N 282.318 3.515 30 20 CHED C=CCc1ccccc1OC(=O)c1c2ccccc2nn1C 1342594985 GOXKYYMFMPAOEF-UHFFFAOYSA-N 292.338 3.521 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(Oc2ccncc2)c1 117007573 GDPVAVGDNPNQOH-CYBMUJFWSA-N 297.358 3.960 30 20 CHED C[C@@H](CNc1ccc(F)cc1C#N)Oc1ccccc1F 301468701 RNOSSPNTEWQUBH-NSHDSACASA-N 288.297 3.716 30 20 CHED CCSCc1ccnc(NCc2ccc(C#N)s2)c1 123290792 NMCWRAMDFJNYEP-UHFFFAOYSA-N 289.429 3.880 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(C)noc1-c1ccccc1 126355551 POEDXXZSTAFWQP-UHFFFAOYSA-N 297.358 3.856 30 20 CHED C[C@H](c1ccco1)N(C)CCCOc1ccc(C#N)cc1 69066542 GTIKFDRQQGYSFP-CQSZACIVSA-N 284.359 3.613 30 20 CHED C=C[C@H](C)NC(=O)N(Cc1ccccc1)CC1CCC1 128592388 VGLVGYJKUDWNEM-AWEZNQCLSA-N 272.392 3.573 30 20 CHED C=CCNC(=O)Nc1ccccc1N(C)Cc1ccccc1 69660492 JIEZBIWLWGXDPO-UHFFFAOYSA-N 295.386 3.631 30 20 CHED Cc1ccc(C#N)cc1OCc1cc(-c2ccco2)on1 122955856 PPKIJTLLBSBDQR-UHFFFAOYSA-N 280.283 3.694 30 20 CHED C#CCCCCC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 120392046 UYJQMKHASAZXMJ-UHFFFAOYSA-N 295.722 3.656 30 20 CHED C#CCCCCC(=O)OCc1ccc(OC(F)F)cc1 180614140 ZPJLEGIQVKSZTP-UHFFFAOYSA-N 282.286 3.525 30 20 CHED COc1ccc2ccc(OC(=O)C3(C#N)CCCC3)cc2c1 32427130 YYJZETAUHJBPRR-UHFFFAOYSA-N 295.338 3.838 30 20 CHED C=C(C)COCCNCc1cc(Cl)cc(Cl)c1 125765176 HXGSODWRKJXYFK-UHFFFAOYSA-N 274.191 3.676 30 20 CHED C=CCCCCCN(C)C(=O)c1scnc1CC 122291786 FLYIRHVKZXUYCG-UHFFFAOYSA-N 266.410 3.524 30 20 CHED C=CCC[C@@H](Nc1ccc(NC(C)=O)cc1)C1CC1 181954456 BKALWZSFUFKLQX-MRXNPFEDSA-N 258.365 3.802 30 20 CHED C#CCCCCC(=O)N[C@H]1c2ccccc2CC[C@H]1C 120344944 JRHFVERSLGYYGQ-RDTXWAMCSA-N 269.388 3.620 30 20 CHED CCc1ccc([C@H](COC)N[C@H](C)c2ccc(C#N)cc2)o1 181812409 NTLZHLGXOUMCAR-DYVFJYSZSA-N 298.386 3.752 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1cccc(C(F)F)c1 78540034 ONQRWCQOHIQPQM-UHFFFAOYSA-N 293.317 3.782 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 182192585 HBZIISHTAQQGDL-RHSMWYFYSA-N 284.403 3.760 30 20 CHED CC[C@H](C(=O)N[C@@H](C#N)CC)c1cccc(C(F)(F)F)c1 123577427 FQOZQDAODUBWQG-OLZOCXBDSA-N 298.308 3.617 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 127350762 PRBRNHYZDXXLMN-XJKSGUPXSA-N 287.403 3.506 30 20 CHED COc1cc(Cl)c(CNCC2(C#N)CCC2)cc1Cl 418140496 JNMWAIWAWWDLJN-UHFFFAOYSA-N 299.201 3.785 30 20 CHED C=C(C)COc1cccc(NCc2ccc(C)cn2)c1 129281377 TVZDKKWTYVUJMN-UHFFFAOYSA-N 268.360 3.957 30 20 CHED Cc1ccc([C@H](C)NC(=O)C2(C#N)CCCCC2)cc1 44385824 QSOXNZPKUHRMHR-AWEZNQCLSA-N 270.376 3.646 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](C)c1nc2ccccc2s1 121339431 OYSOAEBEPCAOGD-CHWSQXEVSA-N 290.432 3.616 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cccc(C(F)(F)F)c1 410136657 KBBGIPQVQUPRFD-CYBMUJFWSA-N 285.309 3.719 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)CC(C)C 506633198 JGMOLKIMSTWRHS-CQSZACIVSA-N 292.398 3.958 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)c(Cl)c1 189790367 KCPUWFSBARHAIG-AWEZNQCLSA-N 267.756 3.889 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H](CO)c1ccc(F)cc1 414289962 NBKPYDJSDMAPRJ-DOTOQJQBSA-N 279.399 3.626 30 20 CHED C=CCC[C@H](C(=O)N(C)CCCC)c1ccccc1 186486796 LWGNZEUHRGGJHC-INIZCTEOSA-N 259.393 3.995 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c[nH]1 181195565 XLNCXLOWHXJAFV-HNNXBMFYSA-N 299.761 3.517 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(F)cc2OC(F)F)C1 185751040 OLSGVRLIUFYTMW-MWLCHTKSSA-N 284.281 3.921 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(Br)cc1 125625345 FBTYLOADZRDOHW-GFCCVEGCSA-N 298.224 3.692 30 20 CHED C=C(C)CCN1CC[C@H](c2c(F)cccc2F)C1 509625708 ZYPCBPDRODUSFU-LBPRGKRZSA-N 251.320 3.720 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1ccccc1Cl 79292360 LWMUQNIXRPIIIE-GFCCVEGCSA-N 281.783 3.500 30 20 CHED CCOC(=O)c1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 315466800 JGIYPTQTQWLNNU-CYBMUJFWSA-N 294.354 3.908 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)CC 39767880 LSJKWOUTABPQAX-ZDUSSCGKSA-N 287.432 3.946 30 20 CHED C=C(C)CN(C)Cc1ccccc1OCc1ccccn1 181043425 WZSGDJMRNAIEDN-UHFFFAOYSA-N 282.387 3.669 30 20 CHED CC1(C)[C@@H](NCCCCC#N)C[C@H]1c1ccccc1 184557156 WSIKUVGYZSRRON-HOTGVXAUSA-N 256.393 3.852 30 20 CHED C[C@@H](NCCCCC#N)c1ccc2ccccc2c1O 185339319 DHWGBTCTTYOTBT-CYBMUJFWSA-N 268.360 3.890 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1cc2ccccc2o1 122433797 MRPTZUOVZOZUPV-NHYWBVRUSA-N 284.359 3.591 30 20 CHED N#Cc1ccc(CN2CC[C@H](COc3ccccc3)C2)s1 507715977 SOLGTPJAISCLMV-AWEZNQCLSA-N 298.411 3.521 30 20 CHED CCCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F 503296648 LBFIHWRIGFKABG-SNVBAGLBSA-N 296.317 3.924 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCc1ccc(Cl)c(Cl)c1 78420512 JHWKHCHFFSKLKI-JTQLQIEISA-N 299.201 3.687 30 20 CHED CCCOc1cccc2c(NCC(C)(C)C#N)ccnc12 503586313 KKRZKTZCRNJCES-UHFFFAOYSA-N 283.375 3.985 30 20 CHED CC(C)C[C@H](NCC#N)c1cccc(C(F)(F)F)c1 181871597 SLIYMCUBPYYASV-ZDUSSCGKSA-N 270.298 3.906 30 20 CHED C[C@H]1C[C@]1(NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 410361946 WTNMTTZEZIFHGA-MEDUHNTESA-N 290.794 3.631 30 20 CHED C=C[C@@H](CC(=O)N(CC(C)C)C1CC1)c1ccccc1 130090906 RDXGWBOCGXIHJY-HNNXBMFYSA-N 271.404 3.993 30 20 CHED Cc1cc(F)ccc1-c1ccc(CNC[C@H](C)C#N)o1 183817179 JGHJMKHPILYCRM-LLVKDONJSA-N 272.323 3.643 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412136632 WMCMBINWABWITR-RRQGHBQHSA-N 298.430 3.993 30 20 CHED CCC(CC)c1cc(CNc2ncc(C#N)cc2F)on1 413180475 VLNPKWZQMGNXFT-UHFFFAOYSA-N 288.326 3.596 30 20 CHED N#CC1(/N=C(/O)[C@H]2CCSc3ccccc32)CCC1 328891589 SRWDWYRCXZTSLD-LBPRGKRZSA-N 272.373 3.669 30 20 CHED C#CCSCCN[C@@H](c1cccs1)C1CCCC1 222108283 QZIWJUXAGZOIEO-OAHLLOKOSA-N 279.474 3.935 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/C[C@@H]2CCCS2)cc1 134020162 DWHIBDTUBPTMQQ-WFASDCNBSA-N 291.464 3.822 30 20 CHED C[C@H](CC1CCCCC1)/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 329887732 XVIPOUWRKWZCFP-IUODEOHRSA-N 289.423 3.830 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Br)c(C)c1 135483432 PFQBJNIIYPUSDW-UHFFFAOYSA-N 296.208 3.796 30 20 CHED CC(F)(F)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 429688249 WOQINBWXJOMGQM-ZDUSSCGKSA-N 286.281 3.683 30 20 CHED C=C[C@H](CC(=O)Nc1cccc(C(=O)O)c1)c1ccccc1 190873804 VFBQZQFQEXKCBL-CYBMUJFWSA-N 295.338 3.683 30 20 CHED N#Cc1cccc(Sc2ccc(Br)cc2)n1 81622353 XAKZFFXSLZPSGO-UHFFFAOYSA-N 291.173 3.867 30 20 CHED COc1cccc(/C=N/[C@@H](C)c2ccc(C)s2)c1O 49020797 PYKXUGLKJNMNSI-UJFYRASASA-N 275.373 3.951 30 20 CHED C=CCCN(C)CCCc1cc(-c2ccccc2)no1 132724199 NVJASIYQGRLDOD-UHFFFAOYSA-N 270.376 3.782 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cc(C)oc2C)CCC1 190418119 XIFHTUGXBDBBOE-GFCCVEGCSA-N 261.365 3.820 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C2CCCCC2)cc1 49882567 YPRIOHBLYPKVOF-KRWDZBQOSA-N 284.403 3.852 30 20 CHED COc1cccc(CS[C@H](C)c2cccc(C#N)c2)n1 190822085 ZCUGMYGQMSIPDV-GFCCVEGCSA-N 284.384 3.956 30 20 CHED C=CCC(C)(C)c1noc([C@H](OC)c2ccccc2)n1 420504157 NWJNWQBGJFDIHX-CYBMUJFWSA-N 272.348 3.659 30 20 CHED C[C@H]1CCCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 334505303 NHTJWKXONYUGJC-AWEZNQCLSA-N 284.403 3.528 30 20 CHED C=CCCC(=O)N1CCCc2c1cccc2C(F)(F)F 425638285 WHHCCTPAIAGWFN-UHFFFAOYSA-N 283.293 3.951 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)Sc1ccccc1Cl 84710397 LJUPQXQZEGWXFL-ZJUUUORDSA-N 283.780 3.666 30 20 CHED C=CCNC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 84167022 CMKWTXGBAQDJOF-GFCCVEGCSA-N 271.282 3.501 30 20 CHED COc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1OC(C)C 193287884 HORFDRCDMCWTCK-ZIAGYGMSSA-N 288.391 3.977 30 20 CHED CC1=C(c2ccco2)CN(Cc2cccc(F)c2C#N)CC1 428942624 NLQCYRUNYFLSTN-UHFFFAOYSA-N 296.345 3.970 30 20 CHED CC[C@H]1CC[C@@H](C(O)=Nc2ccccc2-c2ncc(C)[nH]2)O1 330208070 ASWKXXDSVCVTEO-WFASDCNBSA-N 299.374 3.931 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 332628646 SMGRGNQENKHELI-IUODEOHRSA-N 297.402 3.597 30 20 CHED Cc1nnc(SCCCCC(C)(C)C#N)s1 235816242 QPFSKHKICPWBSW-UHFFFAOYSA-N 255.412 3.659 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCc2ccc(F)cc21 425489930 YOUIAORODPWQNP-UHFFFAOYSA-N 261.340 3.707 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)c1coc3ccccc13)CC2 339811116 GBAUPCCEEPPNGK-UHFFFAOYSA-N 288.306 3.507 30 20 CHED CC1(C)CN(C(=O)Nc2cccc(CC#N)c2)[C@H]2CCC[C@@H]21 335577760 FUQDRKZPBSUFNR-HOTGVXAUSA-N 297.402 3.795 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1CC2(CCC2)C1 517570414 ZOPOZDMPGBSQCA-UHFFFAOYSA-N 275.417 3.843 30 20 CHED CC(C)(C)OC(=O)CC[C@@H]1CCCCN1CCCCC#N 425479632 QEONSJBNJYEZHJ-HNNXBMFYSA-N 294.439 3.657 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 332671846 FIQNPAJLJASNOF-BARDWOONSA-N 276.424 3.647 30 20 CHED C=CCCOCCN[C@@H](CC)c1cc(F)ccc1F 90883612 VKFIOMQOEGAYNH-HNNXBMFYSA-N 269.335 3.598 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1O 97992928 HMJJWQRCISYMIO-POHAHGRESA-N 282.339 3.995 30 20 CHED C#CCCOc1ccc(CNCC2(C(C)C)CC2)cc1 236584021 VXGXWBSKUBSLDG-UHFFFAOYSA-N 271.404 3.615 30 20 CHED Cc1ccc([N+](=O)[O-])cc1Oc1snc(Cl)c1C#N 92611444 BDPMFMFNMPMHIE-UHFFFAOYSA-N 295.707 3.677 30 20 CHED N#Cc1ccc(N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)nc1 339139137 AUSZEZIVWKCDIM-LLLHUVSDSA-N 281.403 3.748 30 20 CHED CC1(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCC1 337779436 LIKHLBXUZSUXQQ-UHFFFAOYSA-N 298.264 3.586 30 20 CHED CC(C)CCN(c1nccc(C#N)c1Cl)C1CC1 232551982 MPCNGWCMYQAYSM-UHFFFAOYSA-N 263.772 3.622 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 435739235 FPZDWNUIUDVHTR-NMLBUPMWSA-N 299.458 3.969 30 20 CHED CC(C)c1nnc(SCCCCC(C)(C)C#N)n1C 436210739 OTQHCCNGEXWVMO-UHFFFAOYSA-N 280.441 3.751 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCc2c(C)cccc21 527487309 AXFOFKIALMNVBZ-DOTOQJQBSA-N 257.377 3.701 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cccc(Nc2ccccc2)c1 345009032 MAQLSLFTHHFKJT-CQSZACIVSA-N 293.370 3.662 30 20 CHED C=CCOCCCC(=O)N1CCC(C)(C)c2ccccc21 346186151 YJRMRXOUAGVFSF-UHFFFAOYSA-N 287.403 3.684 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@H](c2ccccc2)C1 432562558 LUHYIAAGXXHNPF-INIZCTEOSA-N 286.419 3.788 30 20 CHED N#Cc1ccccc1OC1CCC(Nc2ccccn2)CC1 347191351 VETGKWROGDIWTQ-UHFFFAOYSA-N 293.370 3.755 30 20 CHED Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c(C)[nH]1 603618917 VLOGOWDNWWZKSG-UHFFFAOYSA-N 295.386 3.806 30 20 CHED C=CCCOCCCCC(=O)N(C)c1ccccc1F 342848647 ISVBAUITBAJOAC-UHFFFAOYSA-N 279.355 3.552 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)s1 254955177 BWOMGWKBMIAZFX-DJWKRKHSSA-N 275.279 3.794 30 20 CHED Cc1cc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1C#N 347218029 HPIAXWPTXIBXBQ-IFXJQAMLSA-N 291.398 3.845 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(C(C)(C)C)c1O 436116262 UMDBJTVYIRPXPV-UHFFFAOYSA-N 298.342 3.715 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\Cc1ccncc1 255263805 UPABVYHKWCFVAO-IUXPMGMMSA-N 281.142 3.713 30 20 CHED C=CCN(C(=O)/C=C\c1cnc(C)s1)c1ccccc1 255536707 WZAGJQBTAXWKLR-KTKRTIGZSA-N 284.384 3.684 30 20 CHED CC1(C#N)CCC(Nc2cccc3c2OCC3)CC1 527960219 WIYMCSRPSGZYOV-UHFFFAOYSA-N 256.349 3.506 30 20 CHED CCN(CCC#N)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 343873714 NQEFBTXXGMSAKI-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED N#C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C1CC1 601070792 UHVDFLVDNWMESL-AWEZNQCLSA-N 296.399 3.539 30 20 CHED CC(C)[C@@H](CNC1CCC(C)(C#N)CC1)c1cccnc1 449183852 LLSMGPKEBQDRLV-LXPRWKDFSA-N 285.435 3.883 30 20 CHED CCSCCCc1noc(/C=C\c2ccc(C#N)cc2)n1 445769503 VBLSKJOEKKYRIV-KTKRTIGZSA-N 299.399 3.797 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccncc1F 449013304 KLBWPQBFCLYUAR-UHFFFAOYSA-N 297.377 3.751 30 20 CHED C=CCCCN(CCC)C[C@@H]1COc2ccccc2O1 522775628 MOXNAOOOSHBICU-OAHLLOKOSA-N 275.392 3.505 30 20 CHED CSC1CCN(c2c(C#N)cnc3c(C)cccc23)CC1 601207593 ODZODRSYQJHACE-UHFFFAOYSA-N 297.427 3.747 30 20 CHED COc1cc2ccccc2cc1C(=O)N[C@](C)(C#N)C(C)C 604455690 SFQKPIBQJCMNFB-GOSISDBHSA-N 296.370 3.516 30 20 CHED C=CCCNC(=O)c1ccccc1SC(F)(F)F 162237612 JECQKAAIPLXDFJ-UHFFFAOYSA-N 275.295 3.604 30 20 CHED C=C(C)COCCN[C@H]1C[C@@H](C)c2c(C)cccc21 536843697 FLHQCXQDHUZJOJ-ZBFHGGJFSA-N 259.393 3.726 30 20 CHED C=C1CCN(Cc2ccc(CN3CCC(=C)CC3)cc2)CC1 533283312 YXXIAFRGLQXKHT-UHFFFAOYSA-N 296.458 3.991 30 20 CHED Cn1c(CNc2ccc(C#N)cc2)nc2ccc(Cl)cc21 355747891 HZKUVBUKNWYXMQ-UHFFFAOYSA-N 296.761 3.710 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)c2cc(C#N)ccc2Cl)C1 353321590 RHCGJLCJIAXMMQ-NWDGAFQWSA-N 290.794 3.862 30 20 CHED Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1OCC(F)F 442888970 IKWDJNRRHLKBHY-NEPJUHHUSA-N 280.318 3.743 30 20 CHED C=CC[C@@H](C)NC1CCC(OC2CCCC2)CC1 449147120 FJJXPMUBTMRQOI-VQCLRJIVSA-N 251.414 3.811 30 20 CHED C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC(C)(C)C1 544118367 VNYBKOYCDRJIFQ-GFCCVEGCSA-N 260.356 3.565 30 20 CHED Cc1cc(COc2cc([N+](=O)[O-])ccc2C)ccc1C#N 447305002 NGWIYECSFIBBFD-UHFFFAOYSA-N 282.299 3.662 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)c(Cl)c(C)c1 442451016 VDWIBKYKIDMINS-UHFFFAOYSA-N 266.772 3.997 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1CC(C)C 539388508 NFLNECHOXSYKJI-GJZGRUSLSA-N 266.429 3.951 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCCc2ccccc21 355164520 OBCZPYIYDYPLJE-QGZVFWFLSA-N 298.430 3.895 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)N[C@H](C)c2cccc(C#N)c2)C1 610406599 FPFZZQOLVASRIU-CPUCHLNUSA-N 299.418 3.839 30 20 CHED C=C(C)CCNCc1cc(Cl)cc2cccnc12 449476720 NLKPKJUMJOVJNJ-UHFFFAOYSA-N 260.768 3.944 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CCC[C@@H]1C)c1ccccc1 535187274 WDGRBPKTPUBGRH-XIRDDKMYSA-N 271.404 3.899 30 20 CHED CC(C)Oc1ccccc1[C@H](C)NC[C@@H](C#N)CCC#N 539227142 YVUNZAMVJMNZPV-LSDHHAIUSA-N 285.391 3.568 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CC[C@H](C)C[C@H](C)C1 351113859 IQZITOIRHKYZQQ-KBPBESRZSA-N 288.439 3.604 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)C1 535042973 ORCDAEXCQRBMCD-XAUUPUKJSA-N 298.430 3.797 30 20 CHED N#CC1(F)CCN([C@H]2CCc3ccc(Cl)cc32)CC1 352484332 NUGLVKJGFBRLNB-AWEZNQCLSA-N 278.758 3.655 30 20 CHED N#C[C@H]1CC[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C1 442761298 BWYDQJCWKQRAFC-FZMZJTMJSA-N 287.794 3.646 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C(C)(C)C)cc1 448558222 NKPGXTMZQYBQNM-UHFFFAOYSA-N 281.359 3.745 30 20 CHED C=CCOCCCSCC(=O)Nc1ccccc1CC 359159102 XLZMGLZXFAZGDN-UHFFFAOYSA-N 293.432 3.513 30 20 CHED CCCCOc1ccccc1CN1CCC[C@@](C)(C#N)C1 613540389 UCSMTDWJNCBJGF-SFHVURJKSA-N 286.419 3.991 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@@](C)(C#N)C1 612370360 ZSAOOGDVJSAGLI-RDJZCZTQSA-N 276.424 3.745 30 20 CHED C=CCC1(NC(=O)C[C@H](C)C(=O)c2ccccc2)CCCC1 619108627 ZMLRDGGPCURJAA-HNNXBMFYSA-N 299.414 3.901 30 20 CHED Cc1cccc(-c2cnc(NC(=O)[C@]3(C#N)C[C@@H]3C)s2)c1 451760163 NBGGWKKWUXBHKJ-ZBEGNZNMSA-N 297.383 3.607 30 20 CHED C=C(C)CCNC(=O)Cc1coc2c(C)c(C)ccc12 452719691 CRFIHCSUWDOYEM-UHFFFAOYSA-N 271.360 3.675 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1scnc1C 269968427 XSVXIATZNKRBAF-UHFFFAOYSA-N 297.468 3.953 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HXWAFIVFRIJPOC-LJQANCHMSA-N 276.383 3.705 30 20 CHED c1ccc2nc(NN=C3C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)cnc2c1 727258467 KZKJDOYYMWIHOG-RFGFWPKPSA-N 292.386 3.854 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc2cccc(Cl)c2s1 573968421 SLSYUHDCRMKWAA-JTQLQIEISA-N 292.791 3.977 30 20 CHED C#C[C@@H](NC1CCSCC1)c1ccc(Cl)cc1F 491706785 XDIXVUXXDODYRX-CQSZACIVSA-N 283.799 3.639 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N(CCC#N)C(C)C)cc1C 726532659 NUDZPBFGKABCGB-BQYQJAHWSA-N 284.403 3.776 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(CCC#N)CC(C)(C)C)C1 494380042 ZZWCZMMDWOWBOY-GJZGRUSLSA-N 278.440 3.991 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cccc(SCC)c1 490298323 ICWDCMWFPYWGDL-AWEZNQCLSA-N 292.448 3.953 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2ccc(Cl)cc21 581985300 ARTCXUNQMMJDKN-OAGGEKHMSA-N 277.795 3.651 30 20 CHED C=CCCC(=O)Nc1ccc2nc(SC)sc2c1 726497471 YVMQWNJBRYPAGF-UHFFFAOYSA-N 278.402 3.923 30 20 CHED C=C1CCN(C(=O)c2c(C)oc3ccc(OC)cc23)CC1 729256308 QCMKLDJADYTORJ-UHFFFAOYSA-N 285.343 3.542 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)Nc1scc(C)c1C#N 584061544 ODRCFWRNHCMWGN-MNOVXSKESA-N 277.393 3.723 30 20 CHED CCCC[C@H](CCC)N[C@@H](C(=O)O)c1cccc(C#N)c1 829284514 CPKXVDJEYIMGBK-JKSUJKDBSA-N 288.391 3.632 30 20 CHED C#CC[C@H](NC(=O)[C@H](CC)CC(F)(F)F)c1ccccc1 827395233 FVJVSGRQWFWXPJ-OCCSQVGLSA-N 297.320 3.846 30 20 CHED C=CCCNC(=O)Nc1ccc(O[C@H](C)CC)cc1 665844653 YIEXDTICFGOOJT-GFCCVEGCSA-N 262.353 3.562 30 20 CHED C=C(C)CCc1noc(-c2ccc(C3CC3)cn2)n1 584711394 OIOLWWLHJGNHFV-UHFFFAOYSA-N 255.321 3.518 30 20 CHED C=C(CNc1ccc([N+](=O)[O-])cc1COC)c1ccccc1 588840857 WSKHYUSOZLFWEW-UHFFFAOYSA-N 298.342 3.867 30 20 CHED CCC(CC)[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)N(C)C 589336495 LJXHCABDLVEVOH-RBUKOAKNSA-N 299.462 3.502 30 20 CHED Cc1ccc(C[C@@H](C)/N=C\c2cccc(O)c2O)c(C)c1 731155389 FQRBFBRHXFUIMF-AXLWCPOOSA-N 283.371 3.765 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCC1=CCCOC1 583139468 JWAPUKSMYSEERD-UHFFFAOYSA-N 299.761 3.518 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc(O)c(OC)c2)s1 731156769 LNTCHFJZRXTDJK-VQHVLOKHSA-N 288.368 3.921 30 20 CHED C=C(Br)CN1CCc2cc(F)ccc2[C@H]1C 738880789 CVEPGUGVWHDCHJ-SNVBAGLBSA-N 284.172 3.653 30 20 CHED C=CCNC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 665113717 ZHSCBQSGJRQJLA-AWEZNQCLSA-N 265.784 3.772 30 20 CHED CC[C@@H](N[C@@H](C)Cc1ccco1)c1cccc(C#N)c1 902734813 WMASEILCEFUTSF-SUMWQHHRSA-N 268.360 3.823 30 20 CHED CCCCOc1ccccc1C=NN[C@H](C)C(F)(F)F 834998249 RXRVQXZHYPLGPI-LLVKDONJSA-N 288.313 3.740 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(C#N)ccc1F 834637281 LCFVTWDDXGBHKF-LBPRGKRZSA-N 288.366 3.738 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2cnnc3ccccc23)o1 733748211 LSPLAFYCOXARCQ-BXUZGUMPSA-N 292.342 3.792 30 20 CHED CCCn1cc(N[C@H](CC)c2cccc(C#N)c2)cn1 902915995 CPSXBLVFLCHXDO-MRXNPFEDSA-N 268.364 3.728 30 20 CHED C=CCCC(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 839879911 BOWMZXXWQQXATH-UHFFFAOYSA-N 286.297 3.676 30 20 CHED C=CCCCCNc1cccc([S@@](C)(=O)=NC)c1 902142087 FMKAFNVYPIHLIK-GOSISDBHSA-N 266.410 3.541 30 20 CHED C[C@H](CC(=O)OCCCCC#N)c1ccc(F)cc1 733521282 GATSVAUSQOGFFL-GFCCVEGCSA-N 263.312 3.556 30 20 CHED C#CC1CCN(C(=O)Nc2cccc(SC)c2C)CC1 831611282 PPCBSWBWVCIQOZ-UHFFFAOYSA-N 288.416 3.594 30 20 CHED C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C[C@H]1C 835036750 NHKWGHGHLMEVIM-YIYPIFLZSA-N 295.386 3.811 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc2cccnc2c1 839347280 OOIATCRAIXWSEW-UHFFFAOYSA-N 255.317 3.743 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NC[C@@]1(C)CCOC1 733340781 QDNFFHPLENRJNK-DOTOQJQBSA-N 298.471 3.709 30 20 CHED CC(C)(C/N=C\c1cccc(O)c1O)c1cccc(F)c1 735618438 ALOHPMLVBJMGQP-GRSHGNNSSA-N 287.334 3.634 30 20 CHED CCn1nccc1/C=C\C(=O)c1cccc(C2CC2)c1 834444385 BHQLWLGTQVARIS-HJWRWDBZSA-N 266.344 3.677 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc(C2CC2)cc1 597160760 JZSYZHBPLLKTHS-UHFFFAOYSA-N 284.403 3.966 30 20 CHED CCCCCCCC(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C 919222235 QHQLZZVKPBVZFY-LSDHHAIUSA-N 297.439 3.585 30 20 CHED C[C@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 914909012 QRPJUZSLFKRBGD-LLVKDONJSA-N 282.343 3.506 30 20 CHED Cc1ccc(CN(C(=O)C#CC(C)(C)C)C(C)C)s1 837364140 AYBLFDLAAJKJPA-UHFFFAOYSA-N 277.433 3.843 30 20 CHED N#CCN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 595766725 IRBLXINTXRSXGX-HNNXBMFYSA-N 288.803 3.873 30 20 CHED CCCCCC1=CCCC1=NNC(=S)NCCC 916613491 MMUOFHIAJWXUHH-UHFFFAOYSA-N 267.442 3.517 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1NC(C)C 598234251 GJTLBCSJXJZCTG-UHFFFAOYSA-N 283.331 3.532 30 20 CHED CC[C@@H](Cc1cccs1)NCCc1ccc(C#N)cc1 595055635 HLDNHNNYNWSAAK-INIZCTEOSA-N 284.428 3.773 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2C[C@H]2C2CCCCC2)c1 741465766 YFXDNYOPPKVKAA-HGHQNMJOSA-N 288.347 3.688 30 20 CHED CCCCC[C@H](C)CC(=O)N(CC#N)C1CCCC1 742694733 NNKOIOZCXSNWGS-AWEZNQCLSA-N 264.413 3.888 30 20 CHED Cc1[nH]c2ccccc2c1C=NNCc1cc(F)ccc1F 915979054 NVNXEPVOTGOLIF-UHFFFAOYSA-N 299.324 3.878 30 20 CHED Cc1cc(C)cc(NN=Cc2cnn(C(C)(C)C)c2)c1 915950644 CDQSYVWXPWUDDO-UHFFFAOYSA-N 270.380 3.701 30 20 CHED C=C(C)COC(=O)c1cc(-c2ccccc2)ns1 747102574 GVQPYHZOEBOPQN-UHFFFAOYSA-N 259.330 3.543 30 20 CHED C#CCCCCC(=O)O[C@H](C#C)c1ccc(Cl)cc1F 842353988 SLHYLNRTUVPNLX-OAHLLOKOSA-N 292.737 3.890 30 20 CHED CC(C)c1ccc2c(c1)CN(C[C@H](C#N)CCC#N)CC2 595657794 OMNOOIGVQNOQKT-HNNXBMFYSA-N 281.403 3.612 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccc(Cl)s1 840934193 YWKNQFHZIMUDPJ-UHFFFAOYSA-N 278.826 3.673 30 20 CHED CC[C@@H](C/N=C/c1cccc(OC)c1O)CC(F)(F)F 840712778 LKIOXDSWDIFUPU-SVXRXWARSA-N 289.297 3.798 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 745233679 IJVSAEHAMGBQKY-NEPJUHHUSA-N 266.287 3.578 30 20 CHED CC(C)[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 595431273 OHJGWFLGFGDXMY-DOTOQJQBSA-N 299.418 3.719 30 20 CHED CCOc1cccc(C(C)=NNc2cccc(OC)c2)c1 743531026 AHBZDWKCYKDACG-UHFFFAOYSA-N 284.359 3.930 30 20 CHED Cc1ccsc1C(=O)/C=C\c1c(C2CC2)cnn1C 849246419 ZCVHLPJMFRURNM-WAYWQWQTSA-N 272.373 3.564 30 20 CHED CCOc1cc(Oc2ccc(C#N)cc2Cl)nc(C)n1 590572836 SJPDRHLOFJAACA-UHFFFAOYSA-N 289.722 3.501 30 20 CHED CCCCCCCCNC(=O)c1cn(C)nc1C1CCC1 840404710 VDFAYBIYAHDFMU-UHFFFAOYSA-N 291.439 3.778 30 20 CHED Cc1nn(C)c(C)c1C=NNc1ccc(Cl)c(Cl)c1 916249581 AFLLABSTJHLWKH-UHFFFAOYSA-N 297.189 3.790 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C(C)=C/c1ccco1 847447220 ZXBJDQFHIOFFSJ-WYMLVPIESA-N 288.391 3.861 30 20 CHED CCn1nc(C)c(C=NNc2nc3ccccc3s2)c1C 916657443 KDCQRZUGACCHTM-UHFFFAOYSA-N 299.403 3.576 30 20 CHED CC(CCC(C)C)=NNc1ccc(CC(=O)O)cc1 848415967 UQBRMZQTMGDPAJ-UHFFFAOYSA-N 262.353 3.538 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccc(OC(C)C)cc1 914557994 OKIFPTWKKTZJNA-XDHOZWIPSA-N 299.370 3.807 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC1CCC(F)(F)CC1 592389681 LAURUAGUINJHTM-HNNXBMFYSA-N 276.330 3.713 30 20 CHED CC1=C(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CCC1 747212757 MIDJVVVTYYTOLX-GFCCVEGCSA-N 266.300 3.504 30 20 CHED C#C[C@@H](OC(=O)CCCCCCC(C)=O)c1ccccc1 842391127 IRBYHWJSYRUDBT-QGZVFWFLSA-N 286.371 3.834 30 20 CHED O=C1/C(=C\c2ccnn2CC2CC2)Cc2c(Cl)cccc21 849246924 XYLJFRUHDMSRRY-WQLSENKSSA-N 298.773 3.769 30 20 CHED CNC(=S)N(C)N=C1CCCC[C@H]1C1CCCCC1 841647535 ZCAFZYPGWCLLMR-ZDUSSCGKSA-N 281.469 3.549 30 20 CHED CCCCCCCN[C@@H](c1cccnc1)C(C)(C)CO 852092120 NQXFNNTWLMNKRS-INIZCTEOSA-N 278.440 3.701 30 20 CHED CSc1ccccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851214236 XDIHDINRTBPIRM-NSHDSACASA-N 277.389 3.894 30 20 CHED COc1cc(Cl)ccc1C(=O)O[C@H](C)CC(C)(C)C#N 851210925 WBXFGSZTNZWIKA-SNVBAGLBSA-N 295.766 3.834 30 20 CHED C#CC[C@@H](NCc1cnc(Cl)c(C)c1)c1ccccc1 756998465 WILBQJGVPFRVIL-MRXNPFEDSA-N 284.790 3.898 30 20 CHED CCCCCCCCCCNC(=O)NC1CCN(C)CC1 755197759 IRLGUSSOIIJQSX-UHFFFAOYSA-N 297.487 3.521 30 20 CHED Cc1ccc(OC(F)F)c(CON=CC2CC2)c1 853736286 UWRHJLBZDSMOHF-UHFFFAOYSA-N 255.264 3.509 30 20 CHED Cc1cc(C(=O)O[C@H](C)CC(C)(C)C#N)cc(Cl)n1 851206971 QOLOYGRFECDKAU-SNVBAGLBSA-N 280.755 3.529 30 20 CHED O=C(O)c1ccc(NN=Cc2cccc(Cl)c2F)cc1 759647011 UKAQOBZSLXSRPT-UHFFFAOYSA-N 292.697 3.623 30 20 CHED O=C(O)c1cccc(NN=C[C@@H]2CCCc3ccccc32)c1 752158104 URXCXNADMVLGIW-HNNXBMFYSA-N 294.354 3.903 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1ccc(OC)cc1 853783084 OPAWJXDJFVMDIL-JTQLQIEISA-N 285.796 3.508 30 20 CHED C=C[C@@H](C)NC(=O)/C=C\c1ccc2cc(OC)ccc2c1 757007173 ZAHAMXSSKWZEBK-AGEOTTOMSA-N 281.355 3.552 30 20 CHED C#CC[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 756996326 QCAMUIZUNXYVBT-SFHVURJKSA-N 278.330 3.552 30 20 CHED CC(C)[C@H]1CCCCC1=NNc1ncc(Cl)cn1 857221176 WQALZBDWUFSWGT-LLVKDONJSA-N 266.776 3.744 30 20 CHED CC(C)CSCCCOC(=O)c1ccccc1CC#N 751658506 ZEWIQVIPQYVBAW-UHFFFAOYSA-N 291.416 3.689 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H]1Cc1ccccc1 851805615 DIMBUTFYTARZHK-ZWKOTPCHSA-N 262.356 3.568 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1coc(C2CC2)n1 851143151 JCWVMTIHDAECFS-RISCZKNCSA-N 275.348 3.844 30 20 CHED C#CC[C@@H](NC(=O)/C=C\c1ccccc1)c1ccccc1 757601591 ZZULUHJJYSEPEM-KGUUONHRSA-N 275.351 3.581 30 20 CHED C=CCCCCC[C@H](C)NCC1(C(=O)O)CCCC1 854243216 YBMDNSCHWGAAJD-AWEZNQCLSA-N 267.413 3.746 30 20 CHED C=CCCCOC(=O)c1cncc(-c2ccccc2)c1 757903910 XTTUEEZFMBWMFP-UHFFFAOYSA-N 267.328 3.872 30 20 CHED CCCC1(C(=O)OCc2cc(C#N)ccc2F)CCC1 759464808 DVRUWNQIJZIKMQ-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C#CCCCCC(=O)N[C@@H](CCc1ccccc1)C(F)F 862807968 OARNYTOLWRLGCY-HNNXBMFYSA-N 293.357 3.563 30 20 CHED C[C@@H](Cc1cccs1)Nc1ccc(F)cc1OCC#N 768519621 UAMXBGIQTQNZQT-NSHDSACASA-N 290.363 3.833 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 767079253 OMJPBJBVBBSKOT-ZWNOBZJWSA-N 293.769 3.501 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H](CC)c1ccncc1 933246548 CLWBFQZNXQSHRH-UKRRQHHQSA-N 260.381 3.593 30 20 CHED C#CCN(CC)C(=O)c1ccc(Cl)cc1SCC 763424675 WIVAWAQMLRQAHM-UHFFFAOYSA-N 281.808 3.547 30 20 CHED C#C[C@H](OC(=O)[C@H](C)c1ccc(C)o1)c1ccc(C)cc1 860964135 KKFACBFWHFPZPO-ZBFHGGJFSA-N 282.339 3.918 30 20 CHED Fc1ccc([C@@H]2CCCC2=NNCC(F)(F)F)cc1 769808360 NHTBBXTUNUDCJP-NSHDSACASA-N 274.261 3.601 30 20 CHED C#CCN(C(=O)N[C@H](CC(C)C)c1ccccc1)C1CC1 764672124 PCOZKMWBFUYSQA-QGZVFWFLSA-N 284.403 3.581 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnn([C@H](C)CC)c1C 935623143 QJGHKYDBFYQTOO-DGCLKSJQSA-N 263.385 3.703 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cccc(-c2c(F)cccc2F)c1 767258758 GHXQZLKZPPJYII-LBPRGKRZSA-N 299.320 3.726 30 20 CHED C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](C#N)C1 932159389 ZHDYTCULAABYGR-MNOVXSKESA-N 266.747 3.776 30 20 CHED Fc1ccc(NN=Cc2cnc(C3CCCC3)s2)nc1 767782503 PFVXTRSUZWMLRJ-UHFFFAOYSA-N 290.367 3.781 30 20 CHED C=C[C@H](Cc1nc([C@@]2(C)CCCO2)no1)c1ccccc1 763341668 YALOLMKAQDIYNG-CXAGYDPISA-N 284.359 3.608 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1cccc(OC(C)(C)C)c1 865217585 IRTRGVSOCAJKSE-MDZDMXLPSA-N 298.386 3.802 30 20 CHED CO[C@@H](C)C(C)=NN=C1c2ccccc2-c2ccccc21 763149527 LRYCBJHWNSFZMH-ZDUSSCGKSA-N 278.355 3.915 30 20 CHED CCCCCCCCCNC(=O)[C@H]1CCSC1 761874640 IOBJVUXAHBEBNA-ZDUSSCGKSA-N 257.443 3.606 30 20 CHED CCCCCCCCNC(=O)N[C@@H](C)c1ccc[nH]1 760331248 UXTITGQOUKRMTM-ZDUSSCGKSA-N 265.401 3.735 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCc3cc(C)ccc32)CC1 765836967 RLBHKFUNRCJHCD-IBGZPJMESA-N 284.447 3.612 30 20 CHED C=CC[C@H](NC(=O)N[C@@H](C)CCC1CC1)c1ccncc1 769510857 STISPZDOXZZFOQ-BBRMVZONSA-N 287.407 3.577 30 20 CHED N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CCCC(F)(F)C2)cc1F 865624492 VEWJONGSTABWEM-SECBINFHSA-N 299.252 3.595 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1cc(C#N)cs1 768187679 QJYKMTLKCVZQTA-LLVKDONJSA-N 271.341 3.846 30 20 CHED CC[C@H]1CCCC1=NNc1ccc(F)c([N+](=O)[O-])c1 769831163 VLBKAEVXQHUWFG-VIFPVBQESA-N 265.288 3.712 30 20 CHED C[C@@H](CCC#N)CNC1CCN(CC2CCCCC2)CC1 876993911 VYAJYEQLAWTSED-INIZCTEOSA-N 291.483 3.561 30 20 CHED C#C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 775571630 ITBXTYVYEQMAJF-TUKIKUTGSA-N 297.320 3.537 30 20 CHED CC(=NOC1CCCC1)c1nc2cc(Cl)ccc2n1C 774597228 RCEMTAWHAZCQNT-UHFFFAOYSA-N 291.782 3.910 30 20 CHED Fc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cn1 777442777 FDOMFHVYDNQIAX-UHFFFAOYSA-N 298.239 3.790 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc2c(c1)CCO2 777906658 ZHOBMQYISQJFNK-UHFFFAOYSA-N 287.750 3.506 30 20 CHED C#CC(C)(C)NC(=O)Nc1cc(C(F)(F)F)ccc1C 775521468 POMSOFLGFZCXBN-UHFFFAOYSA-N 284.281 3.547 30 20 CHED C#CCOc1cccc(NC(=O)N[C@H]2CC23CCCCC3)c1 771456810 HFJKXFMKSQSATO-INIZCTEOSA-N 298.386 3.543 30 20 CHED CCCCC(C)=NNc1cncc(Br)c1 1116388498 OQXHRTBAVTVCSY-UHFFFAOYSA-N 270.174 3.822 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)c(C#N)c1)C2 770573829 VCTIMDIELBFIDH-AUWJEWJLSA-N 277.298 3.828 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(F)c(F)c(F)c1F 880678932 SHARRTKONPYVER-SSDOTTSWSA-N 290.260 3.719 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](SCC)C1 779926348 OZJIGYBWVFPDSI-HUUCEWRRSA-N 281.465 3.751 30 20 CHED CC(C)=C(C)C(=O)OCC#Cc1cccc(Cl)c1 773173544 KRSYUFBNTRUPQW-UHFFFAOYSA-N 262.736 3.591 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(-c2ccon2)cc1 886953843 PIXLJDFYFPAJLD-LBPRGKRZSA-N 270.332 3.882 30 20 CHED Cc1ccc2c(c1)CCCN2Cc1ccc(C#N)s1 780766047 BQUUMQNBZYYPSB-UHFFFAOYSA-N 268.385 3.881 30 20 CHED Cc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(O)c1 787024613 BZESUEQTWSDESL-UGSOOPFHSA-N 292.382 3.910 30 20 CHED Cc1cc(F)c(C(=O)OCCCC(C)(C)C#N)cc1F 784121700 HYNOFEFDBITNFQ-UHFFFAOYSA-N 281.302 3.760 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2[nH]c3ccccc3c2Cl)C1 1122717600 KNNIYKMDWCZZEV-ZJUUUORDSA-N 288.734 3.670 30 20 CHED C#CC[C@H](NCc1ccc(F)cc1C)c1ccccc1 784266093 PKIAVOCLEVFBHF-SFHVURJKSA-N 267.347 3.988 30 20 CHED C=C[C@@](C)(CC)c1nc([C@H](C)OCC(F)(F)F)no1 896611063 MBHNELMLQCMCSR-KWQFWETISA-N 278.274 3.563 30 20 CHED CC[C@H](CC#N)OC(=O)c1c(C)[nH]c2ccc(Cl)cc12 787084600 PIBXMPLYCRANIE-LLVKDONJSA-N 290.750 3.979 30 20 CHED Cc1nc(Cl)ccc1N[C@@H](C)CC(C)(C)C#N 894119186 UYLIEIFVPWLSJE-VIFPVBQESA-N 251.761 3.784 30 20 CHED N#CCOc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)cc1 1137122791 SJSYDRPBBPEYBH-IAGOWNOFSA-N 284.403 3.601 30 20 CHED CCCC[C@H]1CCCC1=NNCCc1ccncc1 789094700 WGIXKOVOGJRFKI-HNNXBMFYSA-N 259.397 3.560 30 20 CHED CCC(CC)NN=Cc1cc(C)c2ncccc2c1 783846683 NRQDUYHVNCULIE-UHFFFAOYSA-N 255.365 3.655 30 20 CHED COC(=O)c1ccccc1NN=C[C@@H]1CCCC[C@H]1C 783860245 XFHCEZSCPVNMIM-OLZOCXBDSA-N 274.364 3.697 30 20 CHED Clc1ccc2cccnc2c1C=NOCc1cccnc1 781127881 NCELIWQNLOICQS-UHFFFAOYSA-N 297.745 3.834 30 20 CHED C#CCC1(C(=O)Nc2ccccc2C)CCCCC1 788422596 YVLQKKBBNDNKIH-UHFFFAOYSA-N 255.361 3.907 30 20 CHED Cc1cc(C#N)cc(NC2CCC(F)(F)CC2)c1 592368563 YARZDHQPWAARJF-UHFFFAOYSA-N 250.292 3.857 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(Cl)cc1OC 799228470 QJFWEUDWQAMIGS-LLVKDONJSA-N 282.771 3.825 30 20 CHED C=C(Br)CN[C@H](C)c1cccc(C)c1C 167347707 KQUQDIXFRDBDNP-GFCCVEGCSA-N 268.198 3.863 30 20 CHED C=C(C)CCN(C)Cc1ccc(SC)c(OC)c1 509263407 LRTCNBVWWRUPLT-UHFFFAOYSA-N 265.422 3.815 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C/c1cc(C#N)cs1 799897466 VBHIEHITKAISLU-AWNIVKPZSA-N 280.352 3.729 30 20 CHED C#CCC(C)(C)C(=O)OCc1cc(C)ccc1OC(F)F 795533426 ZDRSGPOERJZOPY-UHFFFAOYSA-N 296.313 3.689 30 20 CHED C[C@H]1CC[C@H](OC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 797240352 YSHFLVUGYSONEP-NHYWBVRUSA-N 289.350 3.707 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[C@H]1CCCOC1 794541830 ULLBRRLZAUSYJD-QSJFSLAZSA-N 278.440 3.593 30 20 CHED Cc1ccc(C(=O)OCc2nc(C3CC3)cs2)cc1C#N 799360970 SXOJMNMXTSXMSO-UHFFFAOYSA-N 298.367 3.558 30 20 CHED COCCCON=Cc1cc(C(F)(F)F)ccc1Cl 795044287 MKMPNOSMSJEKLL-UHFFFAOYSA-N 295.688 3.746 30 20 CHED CCCCCCCCCN1CCC(CC(=O)NC)CC1 192052321 ZKXWCAJODHQWMM-UHFFFAOYSA-N 282.472 3.585 30 20 CHED Fc1cccc(NN=C2CCOc3cc(F)ccc32)c1 794902387 WQDMHCGTQAAAQE-UHFFFAOYSA-N 274.270 3.564 30 20 CHED N#Cc1cccc(CN2CCC[C@@H](C3CCCCC3)C2)n1 1206790741 WKSBTEMPDSRQRG-MRXNPFEDSA-N 283.419 3.746 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)c(OC(F)F)c(C)c1 798550526 AURXSASKEHWBJT-ZDUSSCGKSA-N 297.345 3.989 30 20 CHED C=C[C@@H](OC(=O)c1cc(NC(C)=O)ccc1F)C(C)(C)C 798904196 CFHHTUOSOUIFAE-CQSZACIVSA-N 293.338 3.542 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC[C@H]2c2ccccn2)c1 794858562 NMXWHOUIURNFFX-AWEZNQCLSA-N 296.330 3.725 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccnn1C(C)C 794939716 SXZVLCBXHMUCMT-SOFGYWHQSA-N 284.359 3.677 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(O)c(C)c2)c1F 799891595 AFTJOKMIGJSPPL-TWGQIWQCSA-N 286.302 3.744 30 20 CHED C[C@H](N(C)c1nc(C(F)(F)F)ccc1C#N)C(C)(C)C 78833509 YDOLWGPYUJHOSI-VIFPVBQESA-N 285.313 3.843 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncc(C#N)cc1F 1307215459 BHDFWAZNPVJOJZ-SUMWQHHRSA-N 295.361 3.865 30 20 CHED Cc1cc(Oc2cc(C)c(C#N)c(C)c2C)ncc1C#N 1307115533 RFGXBDJQWQOIPX-UHFFFAOYSA-N 277.327 3.851 30 20 CHED Cc1ccc(N(C)C(=O)Nc2sccc2C#N)cc1 1310959497 SPKGLLUFMOUJAL-UHFFFAOYSA-N 271.345 3.597 30 20 CHED CC(C)N(CCc1ccccc1)C(=O)c1sccc1C#N 1318078194 RJDJWPGNYSCLST-UHFFFAOYSA-N 298.411 3.713 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2sccc2C#N)CC1 1310957303 XTXVJGIESVCPJL-ZYHUDNBSSA-N 277.393 3.710 30 20 CHED C=CCN(C(=O)c1cc(C)n(CC2CC2)c1C)C(C)C 1318265900 SVZCFPXYHBGWRB-UHFFFAOYSA-N 274.408 3.552 30 20 CHED CC(C)c1ccccc1CN(CCC#N)CC1CC1 1652630949 YXZYKWAJFKBEEX-UHFFFAOYSA-N 256.393 3.936 30 20 CHED C=CCn1cnnc1S[C@@H](CCC)CCCC 1326865759 IQZKPNXIVSPFTN-LBPRGKRZSA-N 253.415 3.915 30 20 CHED CC(C)[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(F)cn1 1320174881 PEQFGYZIVGQRMU-QGZVFWFLSA-N 299.349 3.932 30 20 CHED C=C(C)CN(CC)C(=O)C1(Sc2ccccc2)CC1 1253805661 QROZISKRJRHHBC-UHFFFAOYSA-N 275.417 3.736 30 20 CHED C[C@H](C(=O)OCCC(C)(C)C#N)c1ccc(F)c(F)c1 1254206396 MODXDGXSFDTRNQ-JTQLQIEISA-N 281.302 3.551 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc(C2CC2)s1 1337550063 HOQHUJUJDWNFKA-GFCCVEGCSA-N 276.405 3.591 30 20 CHED Cc1ccc(NN=Cc2ccnn2C(C)C)cc1Cl 1339653874 ZGIYRHBXACTUDC-UHFFFAOYSA-N 276.771 3.872 30 20 CHED C=C[C@@H](COC)NCc1cc(-c2ccccc2)cs1 1255020286 ZISYZRUDCDYYBH-HNNXBMFYSA-N 273.401 3.706 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NN[C@@H](C)c1ccncc1 1261439677 SFSVFMIOMIOGRV-STQMWFEESA-N 295.386 3.658 30 20 CHED CC#CCCCc1nnc([C@H](CC)c2ccccc2)o1 1261576368 NSYVLLALIIUFLO-OAHLLOKOSA-N 268.360 3.958 30 20 CHED Cc1nc(Nc2cccc(CN3CCCC3)c2)ccc1C#N 1261219949 YAWFVLMYOBPSND-UHFFFAOYSA-N 292.386 3.601 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)CC(C)C)nc2ccccc12 1198612247 CMVNHLMGPYWNLU-SFHVURJKSA-N 295.386 3.601 30 20 CHED CCCCCCCOC(=O)c1cc([N+](=O)[O-])ccc1F 108685161 BJLHVWVLIJCGSK-UHFFFAOYSA-N 283.299 3.861 30 20 CHED C=C(Cn1c(C)nnc1N(CC)CC(C)C)c1ccccc1 1539765207 DLXRCZGKLCOBCH-UHFFFAOYSA-N 298.434 3.782 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 1533365509 NIOLDAXKQSNPRF-FRRDWIJNSA-N 259.349 3.845 30 20 CHED N#Cc1cc(CNc2ccc(Cl)c(C(=O)O)c2)cs1 1608197306 VFBZZMDUEXKQMK-UHFFFAOYSA-N 292.747 3.583 30 20 CHED CCCc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1 1535372151 XIRMNKWFXMAKTL-UHFFFAOYSA-N 282.318 3.902 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1 1531984616 INUIPPQFZRVHSF-UHFFFAOYSA-N 296.301 3.542 30 20 CHED CC(C)(CC#N)CNC(=O)NCC1CCCCCCC1 1477539693 OVKOESLNZYPCHF-UHFFFAOYSA-N 279.428 3.586 30 20 CHED CC(C)C(CNc1c(C#N)cccc1C#N)C(C)C 1559168878 BONYXYMABTWSHC-UHFFFAOYSA-N 255.365 3.770 30 20 CHED CC1(CNc2c(Br)cccc2C#N)CC1 1559125250 JASDMHUEESPWQY-UHFFFAOYSA-N 265.154 3.533 30 20 CHED CC1(C)CC[C@@H](Nc2ncc(C#N)cc2Br)C1 1559143179 MWSMKLSZHIUYGH-SNVBAGLBSA-N 294.196 3.706 30 20 CHED Cc1cc(CNc2nc(C#N)c(Cl)s2)ccc1F 1559060631 WTMRMCYILMWYKW-UHFFFAOYSA-N 281.743 3.728 30 20 CHED Cc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)c(C)c1O 1631311381 PMLMLHVLVSZTFF-OAHLLOKOSA-N 294.354 3.645 30 20 CHED CC(C)OCCCCNc1cc(Cl)ccc1C#N 228562394 OJANEYRODIZGAO-UHFFFAOYSA-N 266.772 3.829 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@@H]1CCCC 1642621690 ZGIUSOMYOUKJOZ-NWDGAFQWSA-N 260.219 3.844 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CC[C@H](C)[C@@H]1CC 1749265668 WZURKXKTMVYULM-GWCFXTLKSA-N 294.830 3.533 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@@H](F)c1ccccc1 1586199768 KEPKIXQMHZYEHL-AWEZNQCLSA-N 288.709 3.861 30 20 CHED CC[C@@H](CNc1ccc(C#N)c(C)n1)Oc1cccc(C)c1 1651389886 GAMNNCNJRKFJNC-INIZCTEOSA-N 295.386 3.840 30 20 CHED C=C(CNC(=O)c1cc(Cl)cn1CC)c1ccccc1 1583132396 DXIHOVDCPNDQSU-UHFFFAOYSA-N 288.778 3.605 30 20 CHED CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C1(C)C 1663584156 HQVRBMZSAHCGEY-IAGOWNOFSA-N 286.419 3.502 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(F)c1 1670704437 HARMMIHEZJMSSM-DGCLKSJQSA-N 289.354 3.645 30 20 CHED O=C(O)c1ccc2c(c1)CCCC2=NOCc1ccccc1 1776029307 FNVKTBXZMWYGQP-UHFFFAOYSA-N 295.338 3.642 30 20 CHED C#Cc1cccc(NC(=O)C(C)(C)c2ccc(OC)cc2)c1 161999326 DWJPZQJVYRIUJY-UHFFFAOYSA-N 293.366 3.593 30 20 CHED N#Cc1ccccc1CN[C@@H](Cc1ccccc1)C1CC1 162810452 KUFPIPKLONKDIN-IBGZPJMESA-N 276.383 3.669 30 20 CHED C=CCOc1ccc(OC(=O)C[C@H](C)c2ccncc2)cc1 160904227 GAMBJBIQPRBLRO-AWEZNQCLSA-N 297.354 3.746 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cccc(Cl)c1N 232516015 LAKAWCCKONSYRK-UHFFFAOYSA-N 294.782 3.799 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(Cl)c(C#N)c1 151889166 RKIYSCXHXCQCJZ-UHFFFAOYSA-N 297.745 3.704 30 20 CHED Cc1cc(OC[C@H](C#N)CCC#N)ccc1C(C)C 152771446 ABTKSLZNTWEKOJ-AWEZNQCLSA-N 256.349 3.941 30 20 CHED C=CC[C@@H](C)NC(=O)c1c(CC)oc2ccccc12 152280062 UCZNATDIOSAMBT-LLVKDONJSA-N 257.333 3.690 30 20 CHED Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1F 153390188 RZBMICBOONMIFO-QGZVFWFLSA-N 296.345 3.909 30 20 CHED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CC#N)c2)C1 153689335 QRHYZZLQUKNRDK-CJNGLKHVSA-N 286.375 3.634 30 20 CHED CCn1c(-c2csc([N+](=O)[O-])c2)nc2cc(C#N)ccc21 155094008 BUHNKVUEZUXFDR-UHFFFAOYSA-N 298.327 3.565 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)Nc2ccccc2)n1 155770979 XUUVJULEKOEJEQ-GFCCVEGCSA-N 285.372 3.512 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1Cl 8331387 RYQJEDYAOVYMLB-SNVBAGLBSA-N 260.724 3.506 30 20 CHED C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(C#N)cc1 20204233 YUPJCGFHVQHCGP-MLGOLLRUSA-N 266.344 3.879 30 20 CHED C#CCCCCNC(=O)c1sc2cccc(F)c2c1C 156505275 FPARGIXNHGWNKI-UHFFFAOYSA-N 289.375 3.882 30 20 CHED CCOC(C)(C)CNc1ccc(C(F)(F)F)c(C#N)c1 159445063 WOIFPZWJSLVARL-UHFFFAOYSA-N 286.297 3.804 30 20 CHED C=CCOc1ccccc1CNc1ccc(C#N)cc1 37212062 FISYATDWKZNKDH-UHFFFAOYSA-N 264.328 3.735 30 20 CHED Cc1cccc(CNc2ccc(OCC#N)cc2)c1C 43304791 GLGRLSSCHIFYFQ-UHFFFAOYSA-N 266.344 3.818 30 20 CHED Cc1cc(C)cc(N(C)C(=O)C2(C#N)CCCCC2)c1 49083115 CQWLWNHLQGUGAZ-UHFFFAOYSA-N 270.376 3.740 30 20 CHED C[C@H](CCC(C)(C)C)NCc1cc(C#N)cs1 177703828 BOSHJVWGUYAHBA-LLVKDONJSA-N 250.411 3.924 30 20 CHED N#Cc1cc(NCc2cccc(F)c2F)ccc1F 51636623 OQZZDCDLNHNSBX-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CS[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 294475517 WJDMERYZTJJWRZ-LLVKDONJSA-N 286.322 3.519 30 20 CHED N#Cc1ccc(NCc2ccc(C(=O)O)cc2)c(Cl)c1 62790355 NNPLCRCGMBJJNO-UHFFFAOYSA-N 286.718 3.522 30 20 CHED C=CCCN(CC(F)(F)F)OCc1ccccc1 187388286 BQZYBELVKNKPAV-UHFFFAOYSA-N 259.271 3.559 30 20 CHED Cc1ccc(CNc2cc(F)cc(C#N)c2)c(C)c1 600855414 CAKKMHIJHWIHIK-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(C)(CCC#N)CNCC1(C(F)(F)F)CCC1 353094944 WGQLDMMCMPPNHD-UHFFFAOYSA-N 262.319 3.639 30 20 CHED OC1=N[C@@H](/C(O)=N/[C@@H]2CCCCC23CCCC3)CC1 329793439 FRMCHFGAVWXHLV-VXGBXAGGSA-N 264.369 3.565 30 20 CHED CC[C@H](CC#N)NC(=O)CCc1cc(Cl)cc(Cl)c1 358063734 ZUOIRPVXBKFZON-CYBMUJFWSA-N 299.201 3.734 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 708383371 BIEZCSXNDYFQFC-OAHLLOKOSA-N 256.393 3.879 30 20 CHED CCc1ccc(NC(=O)C2(C#N)CCCCC2)cc1C 383437428 HJGGDMWFSMZDJB-UHFFFAOYSA-N 270.376 3.970 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1 5140507 YFMNMPLJIWVXER-VGOFMYFVSA-N 294.398 3.715 30 20 CHED C[C@@H](SC1CCCCC1)C(=O)NC1(C#N)CCCCC1 7091570 BORUJNWXRHIAMV-CYBMUJFWSA-N 294.464 3.783 30 20 CHED N#C[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1F 108803165 PXQZEHZYHLWRDL-JTQLQIEISA-N 294.738 3.535 30 20 CHED N#Cc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1 109612827 IUPFXIICGJCGSU-UHFFFAOYSA-N 295.729 3.852 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCCc1ccccc1 50212918 ZDLMHTOLAJKLNP-UHFFFAOYSA-N 278.355 3.828 30 20 CHED C=CCCCC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 176072384 RYUZIDMZQRRXEF-GFCCVEGCSA-N 281.783 3.580 30 20 CHED C=CCCCCCN(C)C(=O)c1sc(Cl)nc1C 177880860 HRLNJVHKILPRBR-UHFFFAOYSA-N 286.828 3.923 30 20 CHED C/C(=C/C(=O)N(C)[C@H](C)CC#N)c1ccccc1Cl 103441106 YVAOEIXCRIZYJC-NLYDNYMLSA-N 276.767 3.504 30 20 CHED C=CCSCc1nc(-c2ccc(F)c(C)c2)no1 109557025 WSIPWUCKGSAJGM-UHFFFAOYSA-N 264.325 3.603 30 20 CHED CC(C)c1cc(C(=O)NCCCCC#N)c2ccccc2n1 171505390 PPXFSUAFNSKHQI-UHFFFAOYSA-N 295.386 3.782 30 20 CHED C=C(C)CNCc1cccc(OCc2ccccc2C#N)c1 119662709 IHMTWAPOBMZMGJ-UHFFFAOYSA-N 292.382 3.803 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 111703274 RMYLIVVAWCFXGU-UHFFFAOYSA-N 282.746 3.909 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCC[C@H](C)C2)c1 66117341 KPMLUHSGMWLBGL-GOEBONIOSA-N 259.393 3.920 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccnc2cc(F)ccc12 301237558 DTSUAZAVEIHNOM-UHFFFAOYSA-N 291.329 3.882 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(N(C)C)c1 173582795 GCMALUSCVSWEJL-HNNXBMFYSA-N 293.414 3.817 30 20 CHED O=C1/C(=C\c2cc(F)c(F)c(F)c2)Cc2ccccc21 171044322 AJNYGLLMOZTYRN-WZUFQYTHSA-N 274.241 3.926 30 20 CHED CCCCCCOc1ccc(C(=O)NC[C@@H](C)C#N)cc1 171845850 SJOZNIKLBMFCMC-AWEZNQCLSA-N 288.391 3.535 30 20 CHED Cc1cc(CNCCCCC#N)c(OC(F)F)cc1C 174347589 XKBCMBFBYYFJFL-UHFFFAOYSA-N 282.334 3.688 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccccc1C)C(C)(C)C 119345965 UDOHJNWVJXCRDC-OAHLLOKOSA-N 274.408 3.910 30 20 CHED COCc1cc(CNc2cccc(F)c2C#N)ccc1F 301192535 MTEXUTLWGLXXDF-UHFFFAOYSA-N 288.297 3.595 30 20 CHED CC[C@@H](C)CN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 111722767 ZXMIEOHOXGYWEF-CYBMUJFWSA-N 287.407 3.998 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](C)c1cc2ccccc2o1 176094105 FSTRGJLPJCHKJY-OLZOCXBDSA-N 284.359 3.544 30 20 CHED C[C@@H](O)c1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 171830699 CTPLPZZBDIIVHA-LLVKDONJSA-N 286.762 3.877 30 20 CHED Cc1csc(CCCCNc2cccc(F)c2C#N)n1 301165521 UPPLFYJLMZBWCG-UHFFFAOYSA-N 289.379 3.897 30 20 CHED CCc1ccc2occ(C(=O)O[C@H]3CC[C@@H](C#N)C3)c2c1 1343365054 CWZFJZQIKOVASG-OLZOCXBDSA-N 283.327 3.844 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccc(C)s2)cc1 60851785 XEKFFSDJCBKOBH-UHFFFAOYSA-N 284.384 3.925 30 20 CHED Cc1ccc(C#N)c(N2CCC(C)(C(C)C)CC2)n1 302382536 GZDBKHBCVHYUKW-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C=CCN(Cc1nc(C)c(C)o1)Cc1ccccc1F 64247364 JTNKFRVRCZHKEW-UHFFFAOYSA-N 274.339 3.619 30 20 CHED CC[C@H](C#N)OC(=O)CCCc1ncc(-c2ccccc2)o1 176017184 GMFYAWQERNKABM-CQSZACIVSA-N 298.342 3.510 30 20 CHED N#Cc1ccc2nc(NCc3cc(F)cc(F)c3)ccc2c1 179884188 BKVPFGLUAQSOCY-UHFFFAOYSA-N 295.292 3.997 30 20 CHED C[C@@H](OC(=O)c1cccs1)c1ccc(C#N)cc1 175782092 ZDKNZOGTXZDFNV-SNVBAGLBSA-N 257.314 3.538 30 20 CHED N#CCC1(COC(=O)CSc2ccccc2Cl)CC1 174750807 HPFANBRCCDCTNP-UHFFFAOYSA-N 295.791 3.669 30 20 CHED C=C(Cl)CSc1ccc(Br)cn1 302952066 MVNUWVAESXLYHZ-UHFFFAOYSA-N 264.575 3.689 30 20 CHED CCCCOc1ccc(/C=C/C(=O)c2cnn(C)c2C)cc1 179855995 FIRKWJSAMGCGTC-DHZHZOJOSA-N 298.386 3.804 30 20 CHED COCCCCCNc1c(C#N)cnc2c(C)cc(C)cc12 301395495 FIHOHRJAUURMJY-UHFFFAOYSA-N 297.402 3.952 30 20 CHED CC[C@@H](C)Oc1cc(CNc2ccc(F)cc2C#N)ccn1 302796847 AATJGHGAUUHXBJ-GFCCVEGCSA-N 299.349 3.882 30 20 CHED C=C(Cl)CN[C@H]1CCSc2ccc(F)cc21 129804232 CYMJBWNVLCRTEL-NSHDSACASA-N 257.761 3.705 30 20 CHED Cc1cc(C)n(-c2cccc(N[C@H]3CCC[C@@H](C#N)C3)c2)n1 185740379 BMEMMZKKENVUCU-CVEARBPZSA-N 294.402 3.983 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C 409696033 KPNPRNPFKIRVSI-WBVHZDCISA-N 286.419 3.963 30 20 CHED CC[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@H](C)O1 124376031 SBFUZCQGRHRXNU-CMPLNLGQSA-N 298.308 3.581 30 20 CHED CC#CCCCC(=O)Nc1ccc2oc(CC)nc2c1 184436579 VEOXFLBSHZDFDU-UHFFFAOYSA-N 270.332 3.522 30 20 CHED Cc1ccoc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 75300076 NFTLYTKRKBBTTB-JKSUJKDBSA-N 294.354 3.500 30 20 CHED Cc1nn(-c2ccccc2)cc1CNCC(C)(C)CCC#N 183106178 XRWLTYICIISCQK-UHFFFAOYSA-N 296.418 3.600 30 20 CHED Cn1ncc(Cl)c1/C=C/C(=O)c1ccc(Cl)cc1 122600530 AUUMDFIQMQORJV-VOTSOKGWSA-N 281.142 3.623 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc3cc[nH]c23)c1 79726360 HYTHZWMSKABQQH-UHFFFAOYSA-N 292.338 3.985 30 20 CHED CC[C@@H](CN(CC)C(=O)c1ccc(C#N)o1)c1ccccc1 501302803 AURLLVJBFVHFDV-AWEZNQCLSA-N 296.370 3.807 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1cccnc1)C2=O 184765072 MBXHAHZNZGRZAI-XNTDXEJSSA-N 263.340 3.911 30 20 CHED N#CC1(CCN2CCC(OC3CCC3)CC2)CCCCC1 419295647 CNIMJAPUXYACHI-UHFFFAOYSA-N 290.451 3.884 30 20 CHED CCC(CC)CNCc1cccc(O[C@H](C#N)CC)c1 123012842 CWNRZRPJSDSIMO-INIZCTEOSA-N 274.408 3.893 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)CC1CCCC1 181403329 JVKBKLGRGYRFOA-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C[C@H]1CCCC[C@H]1OCCSc1cc(C#N)ccn1 77906472 NUDGGYBQEDBMMH-GXTWGEPZSA-N 276.405 3.641 30 20 CHED N#C[C@H](C(=O)c1ccc(Cl)o1)c1nc2ccccc2o1 73977128 FJGPMGXDQVXRRJ-MRVPVSSYSA-N 286.674 3.564 30 20 CHED CC1(C)[C@H](NCCC2(C#N)CCCCC2)[C@@H]2CCCO[C@H]21 411791793 HWANFIYFLNFFME-ARFHVFGLSA-N 290.451 3.644 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1F 182064621 NPFGKSFEAAULPB-GFCCVEGCSA-N 298.317 3.677 30 20 CHED Cc1c(CNCc2ccc(C#N)cc2)n(C)c2ccccc12 318585872 DZZJXLAOVSOKDO-UHFFFAOYSA-N 289.382 3.648 30 20 CHED CCSc1ccc([C@H](C)NC(=O)C2(C#N)CCC2)cc1 120173762 DPBHECLIVPKLMU-LBPRGKRZSA-N 288.416 3.670 30 20 CHED C[C@H](N[C@@H]1C[C@H]1c1ccccc1F)c1ccc(C#N)cc1 414192332 VBTZEEFXLUFKJK-ULFGMLNVSA-N 280.346 3.904 30 20 CHED CCCN(CC#N)C(=O)[C@H](C)c1cccc(CC(C)C)c1 507758182 LFQACDKOGFSLJZ-OAHLLOKOSA-N 286.419 3.751 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F 127968487 UNBLGAANXPUWAH-BMIGLBTASA-N 294.301 3.534 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CSC[C@H]1C 414541819 WWBLSDXCYYJQGZ-BMFZPTHFSA-N 261.434 3.515 30 20 CHED C=C(C)CCc1noc(Cn2c(C)cc3ccccc32)n1 508625789 RDBVIOBGNJORQQ-UHFFFAOYSA-N 281.359 3.890 30 20 CHED O=C(/C=C\c1cccnc1)c1cc(Br)cs1 210592073 WCUAUPZOKNMZLE-ARJAWSKDSA-N 294.173 3.802 30 20 CHED CC#CCSc1nnc([C@@H](CC)c2ccccc2)o1 78970929 REXPUUCMBMXXLM-ZDUSSCGKSA-N 272.373 3.727 30 20 CHED CC[C@@H](CC#N)NCc1ccccc1OC1CCCC1 184089361 YHFTYTNZZJQPDB-HNNXBMFYSA-N 272.392 3.790 30 20 CHED CCC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 130835884 RTPYUUVGKOJURW-UHFFFAOYSA-N 274.364 3.720 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C(C1CCC1)C1CCC1 314186019 NKTGKGDBMBPOFX-UHFFFAOYSA-N 286.350 3.852 30 20 CHED CC(C)c1nc([C@H](C)NCC(C)(C)CC#N)cs1 414165072 LDKOPTCHJSXYPU-NSHDSACASA-N 265.426 3.857 30 20 CHED C[C@H]1C[C@H](c2ccc(F)cc2)CN1CCCSCC#N 74991185 AZJNVXHZJFXSBN-ZFWWWQNUSA-N 292.423 3.650 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(Br)s1 129155948 GEOWVRMULBWILJ-MRVPVSSYSA-N 287.226 3.711 30 20 CHED CCCOc1cccc(C(=O)N(C)c2ccccc2C#N)c1 317177384 XAUORFPRHGMRTH-UHFFFAOYSA-N 294.354 3.624 30 20 CHED CCOc1ccc(CN(C)Cc2cc(C#N)cs2)cc1 505657376 FSVBJOJTWOPKSM-UHFFFAOYSA-N 286.400 3.650 30 20 CHED C#CCCCNC(=O)N[C@@H](CC1CCC1)c1ccccc1 181272641 XBGCYWNQKIOALQ-KRWDZBQOSA-N 284.403 3.631 30 20 CHED Cc1nn(-c2ccccc2)cc1N[C@@H]1CCC[C@H](C#N)C1 185895361 JSDCHMSXINFEDF-LSDHHAIUSA-N 280.375 3.675 30 20 CHED Cc1ccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2O)s1 49020804 UTOZQMHPPBGMMH-SOOGHKCXSA-N 290.344 3.850 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 43330046 OEKCJKMKZPDWSE-UHFFFAOYSA-N 279.343 3.612 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 505320789 ZPEOQYBMRVWGIK-YSVLISHTSA-N 299.418 3.887 30 20 CHED COC(=O)c1cc2cc(CSCCCC#N)ccc2o1 190956134 HGPXSNDWTUAUDR-UHFFFAOYSA-N 289.356 3.756 30 20 CHED Cc1cc(NC(=O)C(C)(C)C#N)ccc1Oc1ccncc1 193701910 QDRBUOWNAOZEMD-UHFFFAOYSA-N 295.342 3.671 30 20 CHED CC(C)C1CCC(/N=C(/O)c2snnc2C2CC2)CC1 329603062 YGGFDMUCTCNHQO-UHFFFAOYSA-N 293.436 3.935 30 20 CHED CCCCOc1ccccc1CN[C@H](CC)CC#N 136960078 JSPVBWGKUGSOAA-OAHLLOKOSA-N 260.381 3.647 30 20 CHED Cc1ccc([C@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 48346256 JKCYWIHHKHTDTH-LBPRGKRZSA-N 281.315 3.948 30 20 CHED CC1=C(/C(O)=N/Cc2nc3ccc(F)cc3[nH]2)CCC1 328623058 YPTOGIDYXSJMDL-UHFFFAOYSA-N 273.311 3.659 30 20 CHED C#Cc1cccc(NCc2cccc(OCCCC#N)c2)c1 130464206 KXLLQOUPPMOHAR-UHFFFAOYSA-N 290.366 3.963 30 20 CHED Cc1cc(N=C(O)[C@@H]2CCCCS2)cc2n[nH]cc12 329308891 BTXGCFGVMGFNOG-ZDUSSCGKSA-N 275.377 3.745 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(CCC#N)Cc2ccco2)CC1 516971890 NQVGMIQMJAFODU-HNNXBMFYSA-N 286.375 3.658 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H](C)CC(C)(C)C1 514679781 QHTACDAORIXSOJ-ZDUSSCGKSA-N 288.439 3.604 30 20 CHED CC(C)Oc1cc(C/N=C(/O)[C@H]2CC23CCCC3)ccn1 328804991 LQGLZEKVQGWFSE-CQSZACIVSA-N 288.391 3.906 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N[C@H](C#N)C(C)(C)C 424702650 GGQKHRSGAHRHHQ-GDBMZVCRSA-N 286.419 3.618 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)C1CCCCC1 426016410 ILXBIGFNHZWUIE-HIFRSBDPSA-N 264.413 3.705 30 20 CHED CCC(CC)S[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 131776892 PLRKOOKUGSXHOZ-OAHLLOKOSA-N 288.416 3.585 30 20 CHED C=CCSCCN[C@H](C)c1ccccc1OCC 221936796 NRCFNVRXGWKZEI-CYBMUJFWSA-N 265.422 3.655 30 20 CHED CCCC[C@H](CC)CNCc1ccc(C#N)s1 135666935 OACXOIMCVBDKCV-LBPRGKRZSA-N 250.411 3.926 30 20 CHED C[C@@H](c1ccc(F)cc1)S(=O)(=O)CCCC(C)(C)C#N 83025714 RNHULAYQZLYHJP-LBPRGKRZSA-N 297.395 3.631 30 20 CHED CC(C)c1ccc(CN2CCC[C@@](C)(C#N)C2)cc1 612166166 BRNGQDUZRFKSGQ-KRWDZBQOSA-N 256.393 3.936 30 20 CHED CC1(C(=O)NCc2ccc(C#N)s2)CCCCCC1 421605424 UYNIKVHCMKKGFT-UHFFFAOYSA-N 276.405 3.596 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2cccc(F)c2)no1 424215692 GFFHLZNUEJYTCM-UHFFFAOYSA-N 260.312 3.653 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1C1CCCCC1 424840773 SFYWBAUATQZBHT-MRXNPFEDSA-N 292.467 3.502 30 20 CHED C=CCCOCCN[C@@H](C)c1cc(C)sc1C 90883462 QHGNKRBOVGRGNV-LBPRGKRZSA-N 253.411 3.608 30 20 CHED N#Cc1ccncc1N1CCC[C@@H](c2ccccc2)CC1 94154651 FPTCNFRNIMRFJW-MRXNPFEDSA-N 277.371 3.727 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)N1CCC(C)(C#N)CC1 336014681 LBPZVMXYJVOLQZ-HNNXBMFYSA-N 299.418 3.700 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 515251590 DDXPMZAHVMNROA-KDOFPFPSSA-N 293.370 3.727 30 20 CHED N#Cc1csc(CN2CCC[C@@H]2C2CCCC2)c1 92401728 HZMHXXUYMUSWRJ-OAHLLOKOSA-N 260.406 3.774 30 20 CHED C=CCN(C(=O)Nc1nc2c(s1)CCC2(C)C)C1CC1 421115704 IELHDAMBBBHBLO-UHFFFAOYSA-N 291.420 3.549 30 20 CHED CCN(CCC(F)(F)F)Cc1ccc(C#N)cc1C 614397211 CAOVTPSPOBKPLP-UHFFFAOYSA-N 270.298 3.641 30 20 CHED C=C[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] 426569694 CUSWXRFVRFKRDB-HEWZJLJBSA-N 272.348 3.649 30 20 CHED C=CCN(CC=C)Cc1nn(-c2ccccc2)c2c1CCC2 514113447 UDKGMBQETVYPGY-UHFFFAOYSA-N 293.414 3.535 30 20 CHED N#Cc1c(Cl)nsc1Oc1cncc(Cl)c1 92656126 NJECVQIUHSBMBE-UHFFFAOYSA-N 272.116 3.509 30 20 CHED C[C@@H]1CC[C@@H](/N=C(/O)Nc2ccc(OC(F)F)cc2)C1 331273643 HMVUEIBHASPMJZ-MWLCHTKSSA-N 284.306 3.803 30 20 CHED Cc1ccc2[nH]c(CNCC3(CC#N)CC3)cc2c1C 430006293 OYHOROBCXMLJMY-UHFFFAOYSA-N 267.376 3.568 30 20 CHED C=CCNC(=O)c1cccc(-c2ccccc2OCC)c1 93156568 OHWDBDBWVOFBQU-UHFFFAOYSA-N 281.355 3.668 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1ccc(C#N)cc1[N+](=O)[O-] 516671094 XJSYSNJMRSLGRH-OAHLLOKOSA-N 293.326 3.874 30 20 CHED N#Cc1cccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)c1 93062806 NOKQSUFDFGOPRZ-KRWDZBQOSA-N 294.329 3.505 30 20 CHED C=CC1CCN(Cc2cccc(OCCCC#N)c2)CC1 93359211 ZJZYKDKLBOPLMK-UHFFFAOYSA-N 284.403 3.767 30 20 CHED CCSc1cccc(CNCc2ccc(C#N)o2)c1 291762340 RQJIVUJMGACJED-UHFFFAOYSA-N 272.373 3.553 30 20 CHED CC[C@@H](c1ccncc1)N(C)CC#Cc1ccc(F)cc1 92224913 HDOZZVWLVJOSAL-SFHVURJKSA-N 282.362 3.655 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C)c(C)cc1C 435737679 KPAYCKZRIJZNHV-SJLPKXTDSA-N 273.420 3.683 30 20 CHED Cc1cccc(C2(C(=O)N3CC(C)(C#N)C3)CCCCC2)c1 435915363 QIQWTLXGLCEOND-UHFFFAOYSA-N 296.414 3.569 30 20 CHED C=C(C)CS(=O)(=O)N1c2ccccc2CC[C@@H]1CCC 435421088 HKGHZYFHHBROJL-HNNXBMFYSA-N 293.432 3.514 30 20 CHED CN(Cc1cc(F)cc(F)c1)c1ccc(Cl)c(C#N)n1 433797853 CCIWXRDTSLEHON-UHFFFAOYSA-N 293.704 3.521 30 20 CHED CCc1oc2ccccc2c1CN(C)c1cc(C#N)ccn1 341463862 VZCUFYXMRSSVFN-UHFFFAOYSA-N 291.354 3.898 30 20 CHED CC(C)c1ccc(CNC(=O)c2cc(C#N)cs2)cc1 437133755 KBDUMTOREQICGN-UHFFFAOYSA-N 284.384 3.673 30 20 CHED C[C@H](NC(=O)Nc1cccc(C#N)c1)[C@H]1C[C@H]2CC[C@H]1C2 248852407 HGRHFYFCCMDRGO-LMRQPLJMSA-N 283.375 3.504 30 20 CHED CC[C@@H](C)CN(C)c1ccc(F)cc1CNCCCC#N 344309256 SPIAENSLRUJRLZ-CQSZACIVSA-N 291.414 3.701 30 20 CHED CC(C)(C)CCCC(=O)N(C1CC1)C1(C#N)CCC1 341592486 YBCXNQUHVRKJQJ-UHFFFAOYSA-N 262.397 3.640 30 20 CHED N#Cc1ccccc1NC(=O)CCc1cc2ccccc2o1 342284937 RLPVXVHSHJCVGV-UHFFFAOYSA-N 290.322 3.876 30 20 CHED CN(c1ccc(C#N)nc1)C1CCC(C(F)(F)F)CC1 341076148 WODJRBXVWOMXDU-UHFFFAOYSA-N 283.297 3.511 30 20 CHED CC(C)COc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 349823527 USQANPYYZFHADB-ZBFHGGJFSA-N 272.392 3.503 30 20 CHED N#CCCCNc1ncnc2oc(-c3ccccc3)cc12 342142533 QJMWKVMYDQVLSW-UHFFFAOYSA-N 278.315 3.605 30 20 CHED C=CCCCCCN(C)C(=O)NCCCC(C)C 523519381 HTIURCHTWMCBOP-UHFFFAOYSA-N 254.418 3.810 30 20 CHED CN(Cc1ccc(C#N)cc1F)c1ccc2cc[nH]c2c1 348315395 IYKZVMFPLRTECV-UHFFFAOYSA-N 279.318 3.815 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)[C@H]2CCCC[C@@H]12 248373623 KGYQPAMWMLXPJI-UGFHNGPFSA-N 260.406 3.630 30 20 CHED Cc1cc(NCc2nc(C(C)C)c(C)s2)cc(C#N)n1 342210410 SAGMTGRVCZDXSR-UHFFFAOYSA-N 286.404 3.762 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 348526733 WTERDOJIZSPLCY-FICVDOATSA-N 278.440 3.990 30 20 CHED C=CCCCS[C@@H](C)C(=O)NCCc1ccccc1C 609805113 QGOJLTLPJYBJST-HNNXBMFYSA-N 291.460 3.742 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 523944755 MLWQJSBRSGZJCW-CJNGLKHVSA-N 290.382 3.507 30 20 CHED C=CCCN(C)Cc1ccc(OCc2ccncc2)cc1 342730273 JHMVPWAEWXREOM-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C=C[C@@](C)(CCOC)c1nc([C@@H]2CCc3ccccc32)no1 346553578 ZLUJYYITKNMDFS-QAPCUYQASA-N 298.386 3.628 30 20 CHED C[C@H](NC(=O)c1csc(Cl)c1)c1ccc(C#N)cc1 344278552 VHBODWFPTWBUKA-VIFPVBQESA-N 290.775 3.764 30 20 CHED CCc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1 602482547 DHDXGEGOEBMIRN-AWEZNQCLSA-N 272.392 3.760 30 20 CHED Oc1ccccc1/C=N\CCOC1CCCCCC1 255078703 YCHMSPCUAAVDQI-LGMDPLHJSA-N 261.365 3.551 30 20 CHED CC[C@H](C)NC(=O)c1ccc(NC[C@H](C)CCC#N)cc1 602644206 ANHPMZHUCFCLDG-KGLIPLIRSA-N 287.407 3.567 30 20 CHED Cc1ccc(O[C@H](C)CNc2snc(C)c2C#N)cc1 342289982 CVLRDGYXMSDSLN-LLVKDONJSA-N 287.388 3.511 30 20 CHED Cc1c([C@@H](C)NCC(C)(C)CCC#N)cnn1C(C)(C)C 348246076 RHVOLCXAWSRSPJ-CYBMUJFWSA-N 290.455 3.927 30 20 CHED COc1ccc(/C=C2\CCCC(C)(C)C2=O)cc1OC 255076625 MMMDZNLKMXJUPV-JLHYYAGUSA-N 274.360 3.866 30 20 CHED Cc1cc(F)ccc1CCNC1CCC(C)(C#N)CC1 449184121 FRKSJQKCIINSGO-UHFFFAOYSA-N 274.383 3.739 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2nc(C)sc2c1 448569010 NKMSFKUFXPZBBL-UHFFFAOYSA-N 260.362 3.755 30 20 CHED CC[C@H](C(=O)N(C)[C@@H](C)CC#N)C1CCC(C)CC1 359290541 CWASZNAETBHWOS-SHWKFHJASA-N 264.413 3.599 30 20 CHED CC[C@@H]1CSC(=Nc2ccc(Cl)cc2)N1C(C)=O 255007552 PJSXLMXDEYOIRL-GFCCVEGCSA-N 282.796 3.701 30 20 CHED COc1ccccc1C1(CNC2CCC(C)(C#N)CC2)CC1 449106158 HBSHGDCJNHIAMH-UHFFFAOYSA-N 298.430 3.789 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1ccc(Cl)s1 255884694 HADIUBGJOXCYPP-PLNGDYQASA-N 288.759 3.945 30 20 CHED CC(C)(C#N)CCCCN[C@H](CCO)C1CCCCC1 444684271 LDDWFHZSKHIQDZ-MRXNPFEDSA-N 280.456 3.627 30 20 CHED C/C(=C/c1ccccc1OC(F)F)CN(C)[C@@H](C)CC#N 356219697 HICIYOULJBUNRM-UKVQZPPCSA-N 294.345 3.925 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C)cc1Cl 253386465 WVKXOYPXYQHBKV-NSHDSACASA-N 267.756 3.568 30 20 CHED Cc1cc(C)c(/C=C\CNCC2(C#N)CC2)cc1C 602641774 CZRKWYXEMBJXLM-PLNGDYQASA-N 254.377 3.518 30 20 CHED CC#CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 536459317 LLUTYCQCGFAXLC-OAHLLOKOSA-N 290.794 3.504 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2OC)CC1 356191829 NAIJJWWNHKPBBI-AEFFLSMTSA-N 299.414 3.588 30 20 CHED Cc1cc(CN[C@H]2CCc3cc(F)ccc32)ccc1C#N 443981346 RQFOGUAQFFUENH-SFHVURJKSA-N 280.346 3.783 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 355656873 OOPLPMPVGKZBMS-VXGBXAGGSA-N 285.391 3.611 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC1(O)CCCCC1 534070035 HZKYYWYBZIDXDR-UHFFFAOYSA-N 293.451 3.667 30 20 CHED Cc1cc(C)cc([C@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 266483810 UHJVUKBHJFTQJF-DNVCBOLYSA-N 294.398 3.559 30 20 CHED COc1ccc(C#N)cc1CN(CC1CCC1)C(C)C 444770656 FHIGNQYBUYCNOF-UHFFFAOYSA-N 272.392 3.577 30 20 CHED CCCCCCCC(=O)NCc1ncc(C(C)(C)C)o1 266941044 PQQBYTLLKALRNE-UHFFFAOYSA-N 280.412 3.949 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)C1CC1 537933406 WLMGYNLMYXHBLC-NWDGAFQWSA-N 293.769 3.760 30 20 CHED C[C@@H]1CCC[C@H](c2noc(C3(C#N)CCCC3)n2)C1 356229244 XWVWXPAHZXLIJK-NEPJUHHUSA-N 259.353 3.699 30 20 CHED N#Cc1c(F)cccc1Oc1ccnc(-c2ccccc2)n1 533675966 NYJRIFWWUDTVKV-UHFFFAOYSA-N 291.285 3.947 30 20 CHED C[C@@H](C1CC1)N(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC1 354396323 UGYDIVXVGVXWOD-WMLDXEAASA-N 296.414 3.863 30 20 CHED C=CCCC(=O)NCCCCOc1ccc(Cl)cc1 263651900 HCDKABXIKYLBQY-UHFFFAOYSA-N 281.783 3.581 30 20 CHED C=CC[C@@H]1N(CCc2c(C)noc2C)CCCC1(C)C 444787455 RGJMLFYYUYXCPM-INIZCTEOSA-N 276.424 3.901 30 20 CHED N#CC[C@H](CC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccccc1 356200208 PCDRLTICNYENJF-KZNAEPCWSA-N 296.414 3.865 30 20 CHED CCOc1ccc2c(c1)CCN(CC(C)(C)CCC#N)C2 354108173 DMAFZNGODYGCRI-UHFFFAOYSA-N 286.419 3.773 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 617141985 FOLYVURGTLMCHT-RRFJBIMHSA-N 284.403 3.784 30 20 CHED C=CCCOCCCCC(=O)N1CCCC[C@@H]1C(C)C 538301773 UEKKGRXGHXREFN-MRXNPFEDSA-N 281.440 3.787 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(CC#N)c2)C1 455920065 NDNFQHKVMUAJTO-UKRRQHHQSA-N 285.391 3.843 30 20 CHED CCC[C@H](NC(=O)CCCC#N)c1ccc(F)cc1F 360332167 IDBDFDIBZSWKJL-AWEZNQCLSA-N 280.318 3.616 30 20 CHED CC(C)C1(C)CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 450796663 VTTXVYRZEIWNCO-GOSISDBHSA-N 288.435 3.745 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](C)CCC)c1 619277225 ALYAEHPEPDKLLE-LBPRGKRZSA-N 262.353 3.562 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C2CCC2)cc1 451260620 ZTHBBUMHCJDPQC-UHFFFAOYSA-N 279.343 3.715 30 20 CHED CCSc1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1 612364898 QRIKWHFDTKGBTI-INIZCTEOSA-N 288.416 3.564 30 20 CHED CC(C)(CC#N)CNCc1cscc1C(F)(F)F 459739033 YSXIBUJZSFTTIX-UHFFFAOYSA-N 276.327 3.796 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(C#N)cc1 360704908 LYSFYMPAFRCSRK-XJKSGUPXSA-N 284.403 3.845 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC12CCC2 271569834 PREGWFBHVZFPIH-CQSZACIVSA-N 297.402 3.797 30 20 CHED C=C1CCN(Cc2cccc(Br)c2OC)CC1 360895832 AULOMVPKTAPATJ-UHFFFAOYSA-N 296.208 3.610 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCc1ccccn1 360820394 JWQYATDKPOZYDS-IBGZPJMESA-N 291.398 3.553 30 20 CHED C=CCC1(C(=O)N2CCc3cccc(C)c3C2)CCC1 277254773 QMEUIEMEWKNLLK-UHFFFAOYSA-N 269.388 3.626 30 20 CHED C=CCC1(C(=O)N2CC=C(c3cccc(OC)c3)C2)CCC1 276917000 YASKACOHMMTLEU-UHFFFAOYSA-N 297.398 3.667 30 20 CHED C=C(CNC(=O)c1cc2sccc2[nH]1)c1ccccc1 360212448 JPPSGHRBDDIORH-UHFFFAOYSA-N 282.368 3.673 30 20 CHED C[C@H](NC(=O)N1CC2(CCCCC2)C1)c1cccc(C#N)c1 612840865 FPMXAJIXCDZKPN-AWEZNQCLSA-N 297.402 3.595 30 20 CHED N#CCc1ccc(-c2nc(-c3ccccc3F)no2)cc1 547012204 LPGGUSPTUZKFCG-UHFFFAOYSA-N 279.274 3.609 30 20 CHED C=CCC[C@H](NCc1ccc(CO)cc1)c1ccccc1 272519415 PSZSQRFTOHPEJI-IBGZPJMESA-N 281.399 3.976 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(Cl)ccc1C 454195587 BTPLRIHXLDXNEK-UHFFFAOYSA-N 266.772 3.982 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](CC)C(F)F)c1ccccc1 452267228 UQKRUCMRBWVXRB-KGLIPLIRSA-N 281.346 3.896 30 20 CHED CN(Cc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc2C1 544146190 QGEOQLRGDSEELG-HXUWFJFHSA-N 290.410 3.742 30 20 CHED CCC[C@H](NCc1ccc(C#N)cc1)[C@@H](O)c1ccccc1 279607234 FFIHQKKEUUKQAV-OALUTQOASA-N 294.398 3.550 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(=C)CC1 549641473 OSFDKLAZJPOVOV-UHFFFAOYSA-N 288.439 3.599 30 20 CHED Cn1cc(CN2CCC[C@@H](C(C)(C)C)CC2)cc1C#N 361558208 VJYANTDQIVXQSG-OAHLLOKOSA-N 273.424 3.545 30 20 CHED C=C(C)[C@@H](NC(=O)NC1(CC)CC1)c1ccc(F)c(F)c1 458667215 JOTMESOURHCXCS-CQSZACIVSA-N 294.345 3.824 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 452783135 LTYNEPSZKHLERG-JKSUJKDBSA-N 271.404 3.899 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)CCCc1cccnc1 457953009 WXPZSKOTXJGNNM-RHSMWYFYSA-N 274.408 3.511 30 20 CHED C[C@@H](NCc1ccc(CC#N)cc1)c1nc2c(s1)CCC2 459634189 QRWKVPHPKLRKTC-GFCCVEGCSA-N 297.427 3.549 30 20 CHED C[C@@H](N(C)C(=O)c1ccc(C(C)(C)C#N)cc1)C1(C)CC1 279848386 JUWZOOWSIHJUNK-CYBMUJFWSA-N 284.403 3.748 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)C(C)(C)C 622944243 KRRWVKQQYDPRRK-ZIAGYGMSSA-N 293.357 3.881 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(C[C@@H](C#N)CCC#N)C2)cc1 278367476 BSCNCAIZCTZYFO-LZLYRXPVSA-N 281.403 3.616 30 20 CHED C=C(C)Cn1c(CC2CC2)nnc1N1CCc2ccccc21 460957590 LKEZROBYYKQIKL-UHFFFAOYSA-N 294.402 3.501 30 20 CHED C=CCC(CC=C)c1nc([C@@H]2Cc3ccccc32)no1 546992282 VGSVUTAWJVLEEG-OAHLLOKOSA-N 266.344 3.993 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2ccc(OC)cc21 469749576 VBZMOLHZSTVJRT-CJNGLKHVSA-N 287.403 3.586 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1sc(CC)nc1C 280922236 UCOKACNEBCEEIJ-KYOSRNDESA-N 294.464 3.646 30 20 CHED C[C@H]1CCc2sc(C(=O)N[C@H](C#N)C(C)(C)C)cc2C1 464713284 SJRHMJUUZQWRIW-IINYFYTJSA-N 290.432 3.541 30 20 CHED C=C[C@@H](C)NC(=O)NCC(C)(C)c1cccc(Cl)c1F 469386320 OBCOPZLPPSUDEU-SNVBAGLBSA-N 298.789 3.630 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)C(C1CCC1)C1CCC1)CC2 556942013 ZOEGMBACBMMVDZ-UHFFFAOYSA-N 294.398 3.664 30 20 CHED C=CC[C@H](CC)NC(=O)NC(C1CCC1)C1CCC1 558026921 YAYJLPJFHZJSPC-AWEZNQCLSA-N 264.413 3.609 30 20 CHED C[C@@H](NCCCCC#N)c1nccc2ccccc12 289513152 ALYPAFBOBJBQTK-CYBMUJFWSA-N 253.349 3.579 30 20 CHED Cc1cc(CCNCc2ccc(C#N)s2)ccc1Cl 462914188 QGGBNWMXIBPCAW-UHFFFAOYSA-N 290.819 3.914 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C)on1 280244893 WWKOTAPJGWWLJH-UHFFFAOYSA-N 285.347 3.593 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(-c2ncc[nH]2)ccc1C 280239484 OVLLPAIPWCPHBV-KRWDZBQOSA-N 283.375 3.926 30 20 CHED CCCN(CC1CCCCC1)C(=O)c1ncc(C#N)cc1C 559149744 OFTFFGLJDOJQEL-UHFFFAOYSA-N 299.418 3.694 30 20 CHED C=CCCc1ccccc1NC(=O)C(C)(C)OCC 637230807 BROGYVQXVFKBTH-UHFFFAOYSA-N 261.365 3.559 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ncoc2C2CC2)c1 293118791 MCWZSYKHHNCOCT-UHFFFAOYSA-N 298.342 3.759 30 20 CHED CC[C@@H](C(=O)N(C)c1cccc(C#N)c1)c1ccc(F)cc1 558633877 JIGKSIVFIQPHNU-QGZVFWFLSA-N 296.345 3.854 30 20 CHED C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1CCC[C@@H]1C 802713934 YOOIYKYNOPNBJK-STQMWFEESA-N 288.391 3.502 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 293570988 BOKWOBUVYNEDPD-MRXNPFEDSA-N 286.419 3.692 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2nccnc2C2CCC2)o1 807991792 RZWYRILYQRXOPV-SMDDNHRTSA-N 296.374 3.907 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(C)c1Cl 806323717 XWWQHZGYSIOODR-NSHDSACASA-N 264.756 3.572 30 20 CHED Cc1cccc2cc(C(=O)O[C@H](C#N)C(C)C)sc12 808982338 RIYPAYJUPALYGQ-GFCCVEGCSA-N 273.357 3.915 30 20 CHED CCc1ccc(C(=O)Nc2ccccc2CC#N)cc1 555514558 CZPZOMNTNZZCCW-UHFFFAOYSA-N 264.328 3.567 30 20 CHED C#CCCCCNC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 806959154 LBUIBALBXVXLPZ-WMZOPIPTSA-N 298.430 3.973 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](CC2CC2)C1 559411627 SGRBOMAJISUQRM-CJNGLKHVSA-N 254.377 3.741 30 20 CHED C=CCCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 479627257 QAPDMBWWHVPWBT-JKSUJKDBSA-N 257.377 3.795 30 20 CHED CCCCCN(CCO[C@H](C)C#N)Cc1ccc(F)cc1 801910764 WWDDFMURWSPVHV-OAHLLOKOSA-N 292.398 3.747 30 20 CHED C=C(C)COCCNC(=O)[C@@H](CC1CCCC1)C(C)C 475057402 XPDJDXSAQUUMTB-INIZCTEOSA-N 281.440 3.548 30 20 CHED CC(C)[C@@H](NCCCC#N)c1ccc(Cl)cc1 298074448 AWFOFBYQBREMBV-CQSZACIVSA-N 250.773 3.930 30 20 CHED N#CCCC1CCN(CCc2cccc(F)c2F)CC1 569481378 GBAXXZSXNZTZST-UHFFFAOYSA-N 278.346 3.523 30 20 CHED CC#CCN(C)C(=O)N[C@@H](CC)c1ccc(Cl)s1 297278419 PGFSBTJZRASPMF-JTQLQIEISA-N 284.812 3.517 30 20 CHED COc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)cc1 647371325 OKFBOFZDFBPSIX-ZDUSSCGKSA-N 298.367 3.519 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 295107297 HEEAKUTYWVTQFX-ZFWWWQNUSA-N 275.367 3.790 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1cccc(Cl)c1 562353025 LSWCOXMQEYSTKN-HNNXBMFYSA-N 277.795 3.840 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 568852369 QYZODSTYVSFGBE-QAPCUYQASA-N 298.430 3.943 30 20 CHED Cc1c(Cl)cnc(N2CCCC[C@H](C)C2)c1C#N 475739295 MZNRCZQZMCFJMK-JTQLQIEISA-N 263.772 3.542 30 20 CHED C=CCNC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 299430652 UXUJOYAVXJXUQT-VIFPVBQESA-N 287.190 3.882 30 20 CHED C=CCN(C(=O)Nc1ccc(F)cc1SC)C1CC1 646550257 VYTBGCRCKIMRME-UHFFFAOYSA-N 280.368 3.730 30 20 CHED FC(F)(F)c1cccc(NN=C[C@H]2CCCOC2)c1 814689604 AUSHERJXOUFWRZ-SNVBAGLBSA-N 272.270 3.530 30 20 CHED N#Cc1cc2c(nc1NC[C@H]1CCCCC1(F)F)CCC2 390861248 IAGCTCFFIFTIBX-CYBMUJFWSA-N 291.345 3.679 30 20 CHED C=CCC(F)(F)C(=O)N(C)c1cc(Cl)ccc1OC 815615867 ZNCMXSLLLLYLNL-UHFFFAOYSA-N 289.709 3.523 30 20 CHED CCCCCCCC(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 819260970 JEKMLPOHHMARCN-IRXDYDNUSA-N 279.424 3.517 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(C)cc1OCCC 487859835 SYOIAPHKAXFUQD-UHFFFAOYSA-N 290.407 3.501 30 20 CHED C=C[C@H](CC(=O)OCC1(COC)CCC1)c1ccccc1 811061380 MMBIVYFBQADXFE-OAHLLOKOSA-N 288.387 3.706 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCC(C)(C)C2)cc1 579641873 HXSAGTMCYDXAKJ-CVEARBPZSA-N 284.403 3.756 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCCCOC(C)C 657969838 FXJRVDFWEBVMTJ-JKSUJKDBSA-N 253.430 3.916 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCOc2c(OC)cccc21 655850856 MWWIEGIPTLQLAA-YDHLFZDLSA-N 275.392 3.709 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 815945272 ZVBCEGCGOFPOPM-UHFFFAOYSA-N 276.286 3.832 30 20 CHED C=CCCCC(=O)N1CCCc2cccc(Cl)c21 481159345 TXAIPCQHTHSDBO-UHFFFAOYSA-N 263.768 3.976 30 20 CHED C=CCC[C@H](C(=O)Nc1ccnc(OC)c1)c1ccccc1 574314484 GZAISJWEDGRUTN-INIZCTEOSA-N 296.370 3.779 30 20 CHED C=CCN(CCOC)[C@@H](C)c1cccc(Br)c1 484577063 SAYDAEAORWLZFT-LBPRGKRZSA-N 298.224 3.645 30 20 CHED C#CCCCCCC(=O)N[C@H](c1ccccc1)C(F)F 817222850 AEQYTOYLNITELE-OAHLLOKOSA-N 279.330 3.693 30 20 CHED CCc1nocc1C=NNc1cc(Cl)ccc1Cl 814862831 RZBKQRYBGZZHFR-UHFFFAOYSA-N 284.146 3.990 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3ccc(C#N)cn3)C2)cc1 486481156 SFTFBCFUNSECJV-YOEHRIQHSA-N 277.371 3.644 30 20 CHED C#Cc1cccc(NC(=S)Nc2cc(F)cc(F)c2)c1 726452824 ZYTIBWAAXVZTAE-UHFFFAOYSA-N 288.322 3.755 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccccc1C(F)(F)F 729935669 JJAFHMRTNICBGL-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C=C(C)CCNC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 824751354 UMJFEGZFKGZHPY-GJZGRUSLSA-N 296.455 3.578 30 20 CHED C[C@@H]1CCCCC1=NNc1ncnc2sccc12 725817844 OAWIGCHGBBALOQ-SECBINFHSA-N 260.366 3.669 30 20 CHED N#Cc1cc(NC(=S)Nc2ccccc2F)ccc1F 728177185 YHTUGWASTAZGHS-UHFFFAOYSA-N 289.310 3.645 30 20 CHED CCn1ccnc1CNc1ccc(OC(C)(C)C)c(C#N)c1 824722396 RTYUZLINJVNRPR-UHFFFAOYSA-N 298.390 3.564 30 20 CHED CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CCCCCC#N 588705222 MHVAIRVSGAIFGX-NSHDSACASA-N 290.329 3.650 30 20 CHED C=CCOc1cccc(CN[C@H]2CCC[C@H](F)C2)c1 582546084 ZKQOQGAFPYJAIF-GJZGRUSLSA-N 263.356 3.622 30 20 CHED Cc1ccc(C2=CCN(CCCCC#N)CC2)cc1 726596299 QTRWKHGPEGNMPP-UHFFFAOYSA-N 254.377 3.778 30 20 CHED N#CCCCCCC(=O)Nc1ccc(O)c2ccccc12 588266496 BGUITTJFKXWTMN-UHFFFAOYSA-N 282.343 3.958 30 20 CHED Cc1c([C@@H](C)NCC2(C#N)CCC2)cnn1-c1ccccc1 828815678 BDNMIMTVZLFOCO-CQSZACIVSA-N 294.402 3.525 30 20 CHED CC[C@H](NCC1(CCO)CCCC1)c1cccc(C#N)c1 902827377 KDRQLERWDWFWQB-KRWDZBQOSA-N 286.419 3.542 30 20 CHED COCC1(CN[C@@H]2CCc3ccc(C#N)cc32)CCCCC1 589350818 FWVCTIPSDBKPEU-GOSISDBHSA-N 298.430 3.732 30 20 CHED CC[C@@H](NCCCn1nc(C)cc1C)c1cccc(C#N)c1 902725070 OQQZPOWIDNWNFG-GOSISDBHSA-N 296.418 3.503 30 20 CHED CC#CCCNCc1ccc(-c2ccccc2OC)cc1 499208980 DCVGWTUORKXAIH-UHFFFAOYSA-N 279.383 3.865 30 20 CHED O=C(/C=C/c1cccs1)c1ccc([N+](=O)[O-])cc1F 821007141 DFPIDCXQERWMFA-GQCTYLIASA-N 277.276 3.692 30 20 CHED C=C(C)c1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)c1 908250530 TVEUVAZRKLTVTH-ZIAGYGMSSA-N 287.359 3.549 30 20 CHED CC(C)(C)CCCN1CCC[C@@]2(CCCCO2)[C@H]1C#N 499770930 MQKHXEPMIQIGDA-WBVHZDCISA-N 278.440 3.740 30 20 CHED C[C@H](NC[C@@]1(C)CC1(Cl)Cl)c1cccc(C#N)c1 828674763 GXZDCEXYOUCORZ-GXFFZTMASA-N 283.202 3.793 30 20 CHED Cc1nc(/C=C\C(=O)c2csc(C(C)C)n2)[nH]c1C 901491502 SUBFXOUDYVNBIT-WAYWQWQTSA-N 275.377 3.503 30 20 CHED COc1ccc(CCCN(C)c2ccc(C#N)cc2)cc1 497645895 OCTSKNRHZZHOCG-UHFFFAOYSA-N 280.371 3.636 30 20 CHED N#CCCCCCC(=O)N[C@@H](C1CCCC1)C(F)(F)F 588941028 BFEWSGOQPBMMLO-ZDUSSCGKSA-N 290.329 3.698 30 20 CHED CCCn1nc(C)c(C=NNc2cc(F)ccc2F)c1C 901321680 YEVYRHVSFKZPPJ-UHFFFAOYSA-N 292.333 3.634 30 20 CHED C=C(CC)CNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 837098685 AACPUKCGCKHPLB-GFCCVEGCSA-N 289.272 3.798 30 20 CHED CC(C)[C@@H](NCC(C)(C)C#N)c1ccc(F)cc1F 903102308 VZEQUPBQDMSSJM-CQSZACIVSA-N 266.335 3.801 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCO[C@H](CC)C1 666238491 AUZFMPFDQFREHJ-FGTMMUONSA-N 273.420 3.721 30 20 CHED C#Cc1cccc(CN[C@@H](C)[C@H](OC)c2ccccc2)c1 834903420 PKLYCKMXYYOKTB-KXBFYZLASA-N 279.383 3.534 30 20 CHED C=CCCOc1ccccc1-c1ccc(=O)n(CC2CC2)c1 904804878 GWZXYIUKSRKQJS-UHFFFAOYSA-N 295.382 3.880 30 20 CHED C=CC(C)(C)c1nc(Cc2cn(C)c3ccccc23)no1 664920107 BHLCMXOBXQMDQZ-UHFFFAOYSA-N 281.359 3.616 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(C)C 836424016 ZEJQBFHAFMBDKM-CYBMUJFWSA-N 298.308 3.571 30 20 CHED CC[C@@H](NCC(C)(C)c1cccnc1)c1cccc(C#N)c1 903024930 QBVDHVIYRDUNMD-GOSISDBHSA-N 293.414 3.972 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](CC)c1ccccc1OC 836292075 ASRXVFZWRPRCJW-CQSZACIVSA-N 290.407 3.658 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccc(F)c1F 730728325 QOHNOCVFNVSMOK-UHFFFAOYSA-N 285.297 3.759 30 20 CHED CC[C@H](C)N(C(=O)c1cc(C#N)ccc1C)[C@@H](C)CC 904247279 DYSRWIWHESDPSH-KBPBESRZSA-N 272.392 3.906 30 20 CHED CCCCCCCC(=O)Nc1ccc(O)c(F)c1F 837087248 RDXXNFHQZUSHPS-UHFFFAOYSA-N 271.307 3.969 30 20 CHED C#Cc1cccc(N(C(=O)COC(C)(C)CC)C(C)C)c1 837417268 CAAWRJOATJOICG-UHFFFAOYSA-N 287.403 3.615 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)C1(c2ccccc2)CCCC1 580555406 QYGDRIIWCPKOQT-IAGOWNOFSA-N 295.430 3.920 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1c1cc(C#N)ccn1 581211819 MUXOGVXBPJDIKG-GXTWGEPZSA-N 257.381 3.604 30 20 CHED CCC(CC)[C@H](C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839051506 DSJTVYPONZFNGV-OUCADQQQSA-N 251.370 3.684 30 20 CHED C=CCC[C@@H](NC[C@H](C)CC1CCCCC1)C(=O)O 901691347 WPBHDSYQDIPXNS-UKRRQHHQSA-N 267.413 3.602 30 20 CHED C=CCCC(C)=NNc1cc(C(F)(F)F)ccn1 834983965 JOEVAVHQGQBJNF-UHFFFAOYSA-N 257.259 3.854 30 20 CHED C#Cc1ccc([C@@H](OC(=O)C2CCC2)C(F)(F)F)cc1 836081403 VCOGNOJQPIHXGW-CYBMUJFWSA-N 282.261 3.615 30 20 CHED C=C[C@@H](CC)Cc1nc(CC2(CSC)CC2)no1 904106123 JDKKVRBSKMYZBG-NSHDSACASA-N 266.410 3.510 30 20 CHED C[C@H](N[C@@H]1CCc2cccc(O)c21)c1cccc(C#N)c1 834612463 TYJMRSKRHUPJDN-BLLLJJGKSA-N 278.355 3.602 30 20 CHED CC[C@@H](O)CNN=C1CC=C(c2ccc(Cl)cc2)CC1 834980058 OBYDKUDRTREZPY-MRXNPFEDSA-N 292.810 3.624 30 20 CHED C=CCN(C(=O)N[C@H](C)Cc1ccc(C)cc1C)C(C)C 731285780 MLEJEGZLBBNVJH-MRXNPFEDSA-N 288.435 3.840 30 20 CHED Cn1ncc(/C=C\C(=O)c2cccc(C3CC3)c2)c1Cl 834444662 LKXBPCYOLPVDEZ-FPLPWBNLSA-N 286.762 3.847 30 20 CHED Cc1csc(-c2cc(CC#N)ccc2OC(C)C)n1 594629465 OEKWVRDQLBFQOZ-UHFFFAOYSA-N 272.373 3.972 30 20 CHED CCCCCCO[C@H](C)C(=O)Nc1ccc(CC#N)cc1 839493577 XINIXPGHUCRWMO-CQSZACIVSA-N 288.391 3.677 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccccc1C)C(C)(C)C 593510924 ZBDYUDHPABKKIM-DZGCQCFKSA-N 272.392 3.748 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCC[C@H](CC#N)C1 595504421 IXZWNAAKJXHWSE-BZUAXINKSA-N 291.439 3.538 30 20 CHED CC[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 593981811 UIPYAQMOPBJVOZ-CVEARBPZSA-N 298.430 3.776 30 20 CHED C=CCN(CC=C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 916642105 JANBUJKGIVXXMA-HNNXBMFYSA-N 294.398 3.841 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1 596859754 ODTUFOWPMJSCFM-UHFFFAOYSA-N 274.339 3.653 30 20 CHED CC1(C#N)CCN(Cc2cc(F)ccc2OC(F)F)CC1 595431456 QDJPYJWHZRZKMX-UHFFFAOYSA-N 298.308 3.553 30 20 CHED C#C[C@H](OC(=O)c1ccc(C)nc1C1CC1)c1ccccc1 842364074 RWYUOPCFBKYGLS-KRWDZBQOSA-N 291.350 3.799 30 20 CHED C#C[C@H](OC(=O)c1cc(C)n([C@@H](C)CC)n1)c1ccccc1 842366005 WSTDNYGYWXLLOG-GUYCJALGSA-N 296.370 3.694 30 20 CHED C=CCN(C(=O)c1cccnc1OC(C)C)c1ccccc1 671170015 CDPOLCLUJGEMFK-UHFFFAOYSA-N 296.370 3.702 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C(C)(C)c1ccc2ccccc2c1 594089406 OOZWGJKJLCZNRB-KRWDZBQOSA-N 294.398 3.878 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC1CCC(F)(F)CC1 842865846 AXSRLGBZYBTMKE-NSHDSACASA-N 280.318 3.967 30 20 CHED COCCSCCCSCCc1ccc(C#N)cc1 596385061 QUEYVUFGBOPMFK-UHFFFAOYSA-N 295.473 3.604 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2c1c(C#N)cnc2ccccc12 596545247 UEIIMKDSTYKOPZ-LQDVMPOASA-N 277.371 3.874 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CC1(CSC)CC1 844516862 WFSZTADERYNJBF-UHFFFAOYSA-N 289.400 3.559 30 20 CHED C=CCC1(NCc2ncc(CSC)s2)CCCC1 594987867 LOWPZVPTCQTJKU-UHFFFAOYSA-N 282.478 3.985 30 20 CHED Cc1ncsc1/C=C1\C(=O)c2c(O)ccc(F)c2[C@@H]1C 742432420 WBUPFPCHIJBQOX-WVXOVRIESA-N 289.331 3.680 30 20 CHED CC(=Nn1cnnc1)c1ccc(SC2CCCC2)cc1 914690373 SOFIUJYJGTUSFD-UHFFFAOYSA-N 286.404 3.585 30 20 CHED CN(CCC#N)c1ccc(-c2nc3cnccc3s2)cc1 916854507 LQJCMXJVSSRELH-UHFFFAOYSA-N 294.383 3.708 30 20 CHED C=CCSCCN[C@@H](C)c1cc2ccncc2s1 595015334 UCCAJCXKZDLTTH-NSHDSACASA-N 278.446 3.866 30 20 CHED C=CCCSCCNC(=O)[C@@H](CC)c1ccccc1 597971636 WEYWSQJIAJCKBA-HNNXBMFYSA-N 277.433 3.606 30 20 CHED CCCCCCCCOCC(=O)N(C)C1CCCC1 741524873 NQGJVXDDPSLNPH-UHFFFAOYSA-N 269.429 3.765 30 20 CHED Cc1ccc(F)cc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 748680348 PTXYUTDIZCHRFV-LBPRGKRZSA-N 283.302 3.924 30 20 CHED Cc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 915917685 KVUBISSLZVVKMZ-UHFFFAOYSA-N 279.265 3.855 30 20 CHED N#C[C@H]1CC[C@@H](Sc2ncc(-c3ccccc3)[nH]2)C1 590721699 KSJDGWOEIUXULF-WCQYABFASA-N 269.373 3.861 30 20 CHED COC(=O)c1ccc2ccccc2c1OCC1(CC#N)CC1 596247881 SOLAXUDVPLXCQW-UHFFFAOYSA-N 295.338 3.699 30 20 CHED CC[C@@H](C)C(C)=NNC(=S)Nc1ccccc1C 915920633 HLKNGNTYRKTGQD-SNVBAGLBSA-N 263.410 3.703 30 20 CHED C=C(C)CCN[C@H](CN1CCCCC1)c1ccccc1 681410314 OTNJCYADWUMGTN-GOSISDBHSA-N 272.436 3.769 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)CCCCCC#N 590894128 RMWFDZZFWYNRJV-HIFRSBDPSA-N 250.386 3.545 30 20 CHED C#CC[C@@H](OC(=O)[C@H]1CC[C@H](C)CC1)c1ccccn1 845458324 HLEUFKDZUNYCTC-IIAWOOMASA-N 271.360 3.516 30 20 CHED C#C[C@H](OC(=O)C1CC2(CCC2)C1)c1ccc(F)cc1 842822100 JLJLUJKWSKKTBP-HNNXBMFYSA-N 272.319 3.624 30 20 CHED CCOc1ccc(/C=N/Cc2ccc(F)c(F)c2)c(O)c1 920386815 FYJMHQGONYBSQP-VXLYETTFSA-N 291.297 3.688 30 20 CHED Oc1nc2ccccc2cc1/C=N\[C@@H]1CCC[C@@H]2C[C@@H]21 840711021 OGOZHPWJUAFNGY-ASRJHQHWSA-N 266.344 3.548 30 20 CHED Cc1cc(C)c([C@H](C)OC(=O)c2cc(C#N)c[nH]2)c(C)c1 748222913 NLJCQEZZDIPCAB-ZDUSSCGKSA-N 282.343 3.730 30 20 CHED COc1ccc(COC(=O)[C@]2(C#N)CC23CCCC3)cc1C 922770255 FGDOBWJILXHDGN-GOSISDBHSA-N 299.370 3.521 30 20 CHED C[C@@H](ON=CC1CC1)c1ncc(-c2ccccc2)o1 853734918 KGWKUWNSBJAOKT-LLVKDONJSA-N 256.305 3.815 30 20 CHED C=CCN(C(=O)N[C@H]1CCCC[C@@H]1SCC)C(C)C 750674507 HGFIUFLZXIHMAS-KBPBESRZSA-N 284.469 3.657 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(F)cc2O)c1 757477001 WNTIBUMBMZSYBV-YVMONPNESA-N 286.302 3.574 30 20 CHED Fc1ccc(/C=C/C=NNc2ccc3[nH]ncc3c2)c(F)c1 758127785 UEUKTBWUDGUWCM-NJTQYUCVSA-N 298.296 3.952 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccccc1C)OCC 756533841 WQKPYNZVBKUYGZ-GOEBONIOSA-N 276.376 3.971 30 20 CHED O=[N+]([O-])c1ccccc1C=NNc1cccc(Cl)c1F 921137856 PIAKUISSCGRFCM-UHFFFAOYSA-N 293.685 3.833 30 20 CHED N#Cc1ccc(CCSCC2CC(F)(F)C2)cc1 853774416 HDCHOVMNOYRXAP-UHFFFAOYSA-N 267.344 3.879 30 20 CHED Cc1cccc([C@@H](NCC2(C#N)CCC2)c2ccccn2)c1 926627453 OXOXXQSTJGBNCN-GOSISDBHSA-N 291.398 3.763 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H](C(C)(C)C)C2)cc1 680124434 GWMOMPHSDVIOTO-HNNXBMFYSA-N 287.403 3.760 30 20 CHED C[C@H]1CC(=NOc2ccccc2C(F)(F)F)CN1C1CC1 754712709 QKYBSDSICWSBSN-JTQLQIEISA-N 298.308 3.697 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N2CCC[C@H](CC#N)C2)cc1C 855259402 JXCCUUXRHVTCLZ-DKRLNXSXSA-N 296.414 3.777 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1cccc2cccnc12 851207234 AVFRDIKHTQDTQM-CYBMUJFWSA-N 296.370 3.649 30 20 CHED Cc1cc2ncn(CN(C)c3ccc(C#N)cc3)c2cc1C 754755716 KBZHURSBBKYOMV-UHFFFAOYSA-N 290.370 3.619 30 20 CHED C=CCc1cc(OCC)cc(CN2CC=C(C)CC2)c1O 755767720 ZSHMDYCDYGESSS-UHFFFAOYSA-N 287.403 3.671 30 20 CHED COc1ccccc1C=NOC/C=C/c1ccccc1 851931866 FFCIRGRGPWIMFD-HBGXEOCBSA-N 267.328 3.759 30 20 CHED C=CC[C@H](N[C@H]1CS[C@H](C(C)C)C1)c1ccncc1 754124229 UHDUTAOZGGKGQZ-PMPSAXMXSA-N 276.449 3.819 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](CC)c1nc(C)cs1 932053987 NOJDCLKJTDRBMB-NWDGAFQWSA-N 266.410 3.621 30 20 CHED C#C[C@H](CC)NC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 753273189 NQAAJBGBMBFJRE-CYBMUJFWSA-N 299.201 3.547 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1CC[C@@H](C)C1 759171453 GGDOKAGPRPSPQL-ZBFHGGJFSA-N 287.378 3.614 30 20 CHED Cc1cccc2oc(C(=O)N3CCC(C)(C#N)CC3)cc12 935295753 TVHCJXLTLFWKEI-UHFFFAOYSA-N 282.343 3.507 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H](CCC)c1cccc(Cl)c1 861340126 GVMYRZCSIVGGLM-WFASDCNBSA-N 277.795 3.704 30 20 CHED CC(C)c1nnc(S)n1N=CC1CCC(C)(C)CC1 764667976 UUWHPBDMOAXWMG-UHFFFAOYSA-N 280.441 3.741 30 20 CHED C#CCOc1cc(F)ccc1NCc1cc(C)oc1C 767373160 KAZTVSNLXGXLHB-UHFFFAOYSA-N 273.307 3.660 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(CC1CC1)c1ccccc1 934352186 HSPHJTYVJGFZNI-UHFFFAOYSA-N 290.366 3.924 30 20 CHED CC[C@H](NCCC(C)(C)C#N)c1cc(F)ccc1OC 932469371 PWBDUIDMHQZWKB-AWEZNQCLSA-N 278.371 3.815 30 20 CHED C/C(C=NN1CCc2ccccc2C1=O)=C/c1ccccc1 769597377 GWOGWDFYOSKCSC-PHQNPPNDSA-N 290.366 3.774 30 20 CHED CCc1cnccc1C(C)=NNc1ccccc1F 765573590 YVIHLBUVKSTFHD-UHFFFAOYSA-N 257.312 3.619 30 20 CHED C=CCC1(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CCCC1 863924839 OARGBUHWQFEELR-ZIAGYGMSSA-N 273.376 3.636 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccccc1N(C)c1ccccc1 767252429 ALCFBQCQTQVQBE-HNNXBMFYSA-N 292.382 3.548 30 20 CHED COc1ccc(Cl)cc1C(=O)Nc1sccc1C#N 14626434 VEMYTLMSEHJSDD-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCCCCCCCCN1CCC2(CC1)C[C@@H](O)CCO2 933057160 MAMICRIBNRSVJL-KRWDZBQOSA-N 297.483 3.743 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](CCC)c1ccccc1 761371385 GOFUCXKUNNPXAA-INIZCTEOSA-N 274.360 3.649 30 20 CHED CCOCCC1(C/N=C/c2cccc(O)c2O)CCCC1 760212899 UIQWHYKBBSESNK-LDADJPATSA-N 291.391 3.504 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccc(Cl)cc1C 768758704 CQWCRMQFXQQZFY-OAHLLOKOSA-N 263.189 3.650 30 20 CHED Fc1cc(Cl)c(NN=CC2CCOCC2)c(Cl)c1 767911003 ZKDIVEVJVCCDCX-UHFFFAOYSA-N 291.153 3.957 30 20 CHED C#CCCCCCc1nc([C@H](C)SCC)no1 762322080 ATNVVLUEKURHEI-NSHDSACASA-N 252.383 3.620 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)CC(C)(C)C#N)c1 860870447 PTSCEXUZLSLEAZ-CWRNSKLLSA-N 285.387 3.970 30 20 CHED C#CCN(Cc1cc(-c2ccc(Cl)cc2)no1)C1CC1 763950831 OOMTYXLOTXLIEQ-UHFFFAOYSA-N 286.762 3.593 30 20 CHED Cc1ccc2c(c1)OCCN2CCCCC(C)(C)C#N 769730081 RMNYXQKBTQGNHU-UHFFFAOYSA-N 272.392 3.914 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)C1CCCC1 769821210 DFWNGTGKNACADF-UHFFFAOYSA-N 265.288 3.712 30 20 CHED CCCCCCCCCOC(=O)c1c[nH]c(C)cc1=O 762903122 VVAWQMNHPGVWPR-UHFFFAOYSA-N 279.380 3.591 30 20 CHED N#CCc1ccc(COC(=O)[C@H](F)c2ccccc2)cc1 769171070 ZWHIRVMTUUOKPM-MRXNPFEDSA-N 283.302 3.507 30 20 CHED C#CCCN1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 760845174 UKKRISZBBUCRGZ-AWEZNQCLSA-N 291.822 3.626 30 20 CHED C/C(=C/C(=O)Oc1ccc(C#N)cc1F)c1ccc(F)cc1 769739231 DHSUQKVBVBQCGL-FLIBITNWSA-N 299.276 3.845 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cncc(C)c2)cc1OC 767366552 HWUPODYDSAZMQP-ALCCZGGFSA-N 297.354 3.693 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(COC(C)(C)C)cc1 878894929 XEVKYWPHHYDDNU-UHFFFAOYSA-N 288.391 3.535 30 20 CHED COc1cc(C=NNc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] 770591621 LXMHHLHMLVNHEN-UHFFFAOYSA-N 299.330 3.666 30 20 CHED Cc1ccc(C(=O)OCCC(C)(C)C#N)cc1Cl 776383397 LNYCRNIWTBXTIW-UHFFFAOYSA-N 265.740 3.745 30 20 CHED C=CCN(C(=S)Nc1ccccc1CC)C1CC1 771548754 PULXGXBHMSXKRA-UHFFFAOYSA-N 260.406 3.596 30 20 CHED CC(=NOC1CCOCC1)c1cc(C)ccc1OC(F)F 774466339 AEWAZCAWDFASBK-UHFFFAOYSA-N 299.317 3.516 30 20 CHED C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)CC12CCC2 771465826 VNNPKVIXDCTVHH-OAHLLOKOSA-N 284.403 3.601 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1117701684 XKTOBEPMBKDXDB-HUUCEWRRSA-N 278.440 3.810 30 20 CHED C[C@H](C#N)CNN=C1C[C@@H](C)C[C@H](c2ccccc2)C1 771101481 ZOVOCMIOIYPXSE-LZWOXQAQSA-N 269.392 3.695 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1occ(C)c1C 1117105950 WLAWGXITLDKIOX-UHFFFAOYSA-N 287.334 3.864 30 20 CHED Cc1ccc(NN=C2CCSc3cc(C)c(C)cc32)nn1 777436672 IINBBSJXDWBUMP-UHFFFAOYSA-N 298.415 3.714 30 20 CHED COc1cc(NC[C@H](C)CCC#N)ccc1OC(C)C 877383157 OJDZHQMOUHSOKX-CYBMUJFWSA-N 276.380 3.834 30 20 CHED CCOC(=O)[C@H]1CCC(=NOC2CCCCC2)[C@H](C)C1 777458531 FZRDHVGLQSBREQ-OLZOCXBDSA-N 281.396 3.691 30 20 CHED C[C@@H](C#N)CNN=Cc1ccc(-c2cccc(F)c2)s1 771102930 KLVMXABFKJOWSI-NSHDSACASA-N 287.363 3.637 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1cccnc1 777447568 HGYGYXXUIBHPCG-SFHVURJKSA-N 281.403 3.663 30 20 CHED FC(F)(F)c1cccc(NN=C2CC3(CCC3)C2)n1 772844482 ISDOREOYKWEXKU-UHFFFAOYSA-N 269.270 3.832 30 20 CHED C=CC[C@@H](C(=O)OCc1nccs1)c1ccccc1 778429060 KWYCPKNGAISBFP-CYBMUJFWSA-N 273.357 3.546 30 20 CHED CCC(=NOCc1cccnc1)c1cc(C)ccc1OC 771557396 FFAUNJYGOCMIDW-UHFFFAOYSA-N 284.359 3.730 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)Cc1ccccc1CC#N 777035349 CCNRGCAEVBWUNC-GOSISDBHSA-N 298.430 3.866 30 20 CHED Cc1ccc(-c2ccc(C=NNC[C@@H](C)C#N)s2)cc1 771104603 UHASMFPKBZQXRW-ZDUSSCGKSA-N 283.400 3.807 30 20 CHED C#CCCCCCC(=O)NCc1ccccc1Cl 779711536 QJGRCNKQDWBPLV-UHFFFAOYSA-N 263.768 3.540 30 20 CHED CCCCCCCCNC(=O)/C=C\c1scnc1C 776876359 DFRGLIRSEZZUIX-KTKRTIGZSA-N 280.437 3.941 30 20 CHED C#CCCCOC(=O)CC1(CSc2ccccc2)CC1 770609282 CNLWJHSMVZDIIE-UHFFFAOYSA-N 288.412 3.906 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)OCCC(C)(C)C#N)C1 776383730 XRANOEOVFZAUPI-QWHCGFSZSA-N 251.370 3.686 30 20 CHED C#CCCCCCc1nc([C@H](OCC)c2ccccc2)no1 771728891 OFDOYDPZHWWZAR-QGZVFWFLSA-N 298.386 3.932 30 20 CHED C=C[C@H](C(=O)N[C@@H]1CCC[C@@H](SC)C1)c1ccccc1 1123572537 VDXQGENUGIXTBD-OAGGEKHMSA-N 289.444 3.747 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H](SC)C(C)(C)C)c1 783681306 BKCAYFAONKMDDK-SLVCOGOPSA-N 281.421 3.597 30 20 CHED CC#CCCCC(=O)Nc1ccc(C(F)F)cc1 885581321 NMFCXJFCQKKXCZ-UHFFFAOYSA-N 251.276 3.756 30 20 CHED C=CCCC[C@H](NC[C@@H](C)CCO)c1ccccc1 883194280 RQYILSDSZIWZJQ-RDJZCZTQSA-N 261.409 3.692 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)[C@H](C#N)c1ncc(Cl)n1C 1123234499 WBFQMEWXIDXQQM-MNOVXSKESA-N 295.814 3.712 30 20 CHED C#CCCCCCC(=O)Nc1cc(C2CCCCC2)[nH]n1 780529882 KQENLKBPMOMTCW-UHFFFAOYSA-N 287.407 3.980 30 20 CHED CCc1ccccc1C(=O)OCCCC(C)(C)C#N 784261023 UVUCBHXODDTFPP-UHFFFAOYSA-N 259.349 3.736 30 20 CHED Cc1ncsc1/C=C1/CCOc2cc(F)ccc2C1=O 781555627 MHADSPWDJVBIBL-POHAHGRESA-N 289.331 3.639 30 20 CHED Cc1cc(CN[C@@H](CCC#N)c2ccccc2)cnc1F 893194038 CGRPXNGJNSQLIB-INIZCTEOSA-N 283.350 3.664 30 20 CHED C=CCCCCCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 783438800 PIEYIQLINZKAPJ-UHFFFAOYSA-N 281.283 3.637 30 20 CHED CCCc1nc(CNc2ccc(F)c(C#N)c2)cs1 86205973 KCCHATPUDHSHEC-UHFFFAOYSA-N 275.352 3.718 30 20 CHED CCCOc1ccc(NC(=O)c2cccc(C#N)c2)cc1F 1131739912 FJQLHKFUYAKWEZ-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C#CCCCc1nnc(N[C@H](CC)c2cccs2)o1 899253690 MZUJEUBHRMVFTD-LLVKDONJSA-N 275.377 3.650 30 20 CHED C#CCC1(C(=O)OC/C(Cl)=C/Cl)CCCCC1 788216470 VDMPPBVSIJZFMM-LUAWRHEFSA-N 275.175 3.822 30 20 CHED CC1(C)C[C@H](Nc2ccc(C#N)cc2Cl)CCO1 215409848 WMFLJJHFQNMQKF-LLVKDONJSA-N 264.756 3.581 30 20 CHED CCN(Cc1cccc(OC(F)(F)F)c1)C[C@@H](C)C#N 91983916 GLODUKYZZYZIPM-NSHDSACASA-N 286.297 3.567 30 20 CHED C=C(Br)CN[C@](C)(CC)c1ccccc1 389913297 KALYCTXEEZYQAW-CYBMUJFWSA-N 268.198 3.810 30 20 CHED C=CCC[C@H](C(=O)OC[C@@H]1CCO[C@@H]1C)c1ccccc1 793442121 PEBLGHSUHXULBL-PVAVHDDUSA-N 288.387 3.705 30 20 CHED COCCN(CCCCC(C)(C)C#N)Cc1ccccc1 277915890 HBAHUBBSCQXPGA-UHFFFAOYSA-N 288.435 3.855 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@]1(C)CCCS1 793052691 BDWOVVDTOLCXMH-ZDUSSCGKSA-N 279.365 3.587 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cn(C(C)C)nc1C 798369707 OYKAKPGXWLQARL-FPLPWBNLSA-N 298.386 3.986 30 20 CHED Cc1ccccc1/C=C1/COc2cc(F)ccc2C1=O 794727828 KILIKZYQLDOTEL-JYRVWZFOSA-N 268.287 3.793 30 20 CHED N#Cc1ccc(COc2ccc(C#N)c(Cl)c2)cc1 190246669 LABWREUPJUIDGO-UHFFFAOYSA-N 268.703 3.662 30 20 CHED CC(C)(CC(=O)[C@@H](C#N)c1ccncn1)C1CCCCC1 796846819 PVEVLAXGLVMYAT-AWEZNQCLSA-N 285.391 3.649 30 20 CHED C=CCCCCC[C@H](C)NCc1ncccc1F 793547566 JTKJISKGFVTAEA-ZDUSSCGKSA-N 250.361 3.835 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2sccc2Br)C1 192977951 GVHYKWOJUUYZDC-NXEZZACHSA-N 299.237 3.683 30 20 CHED COc1ccccc1/C=C1\CCc2ccc(O)cc2C1=O 794960285 QFNHDRWAZNESSL-GXDHUFHOSA-N 280.323 3.613 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](CC)c1ccc(C)cc1)C(C)C 799044621 IRIPCMZCFGMIFA-NVXWUHKLSA-N 271.404 3.653 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2ccnc(O)c2)cc1C 791433173 QXMHKTJSZZHDPX-PLNGDYQASA-N 267.328 3.609 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1cccc(Cl)n1 793161792 LLKPNMCXLHCYLN-JTQLQIEISA-N 251.761 3.959 30 20 CHED CCNc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1ccccn1 793124398 LKRUYNSQQQNRBS-ZDUSSCGKSA-N 299.761 3.657 30 20 CHED C=CCN(CC(=O)Nc1cccc(C)c1C)C(C)(C)C 661754872 DUOMUYIVSHWRHE-UHFFFAOYSA-N 274.408 3.528 30 20 CHED C#Cc1cccc(N(CC)CCCc2ccncc2)c1 764976560 GVWHAGUAZLRDJD-UHFFFAOYSA-N 264.372 3.522 30 20 CHED CCC(=O)c1ccc(OCc2ccc(C#N)s2)c(F)c1 1307322567 RJCUBDMJBHTBRW-UHFFFAOYSA-N 289.331 3.931 30 20 CHED CCC(CC)N(CC)c1nc(C)c(C#N)cc1Cl 1167106975 GUCNGGBHAYDCSG-UHFFFAOYSA-N 265.788 3.930 30 20 CHED CCN(CCC#N)C(=O)C1(c2cccc(Cl)c2)CCC1 133501565 OGGZZCKCNYDSIT-UHFFFAOYSA-N 290.794 3.524 30 20 CHED CC(C)=CCC/C(C)=C/C=NNc1nncc(N)c1Cl 1319377845 VYRLOHBQUJFAQD-BZFVJYCRSA-N 293.802 3.803 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1C)[C@H]1CC1(C)C 1310419061 OVVGEFANLGUFNJ-ZIAGYGMSSA-N 285.391 3.813 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CC)c1ccc(F)cc1 1320066056 ZHXYMRCMDNUCAC-RISCZKNCSA-N 264.344 3.541 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NNCc1ccc(F)cc1 1325160215 PSEQQHOARZHANX-UHFFFAOYSA-N 299.324 3.878 30 20 CHED C[C@@H]1CC(C(=O)Nc2ccc(OCC#N)cc2)C[C@@H](C)C1 1323582224 KNERYILGBMKVML-STQMWFEESA-N 286.375 3.600 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2cccc(C#N)c2)C1(C)C 1180489231 WVVVOCLYMPSFHS-LSDHHAIUSA-N 258.365 3.562 30 20 CHED C=C[C@@H](CC)CC(=O)NCCc1nc(C(C)(C)C)cs1 1336786072 WQLSVKIQJZQYPQ-LBPRGKRZSA-N 294.464 3.702 30 20 CHED Cc1c(Cl)cnc(NC[C@@H]2CC[C@@H](C)C2)c1C#N 1186345087 VYDRMSCQDGNCGA-MWLCHTKSSA-N 263.772 3.763 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1cc(C)sc1C 1335650809 RDLNBXWPZBBYDS-LLVKDONJSA-N 251.395 3.898 30 20 CHED C[C@@H](C#N)CNc1nccc2c(Br)cccc12 1254423019 SCYWTGKXBMOJSD-VIFPVBQESA-N 290.164 3.569 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C)nc1Cl 1337776977 QJESNMUOAYGZDZ-UHFFFAOYSA-N 264.756 3.566 30 20 CHED C=C(C)CCC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 1338890747 YIRPLVYPJTYXOL-LLVKDONJSA-N 299.823 3.658 30 20 CHED C#Cc1ccc(C(=O)Nc2ccn(C3CCCCC3)n2)cc1 1332559460 XFOVIPQSVMWTSW-UHFFFAOYSA-N 293.370 3.622 30 20 CHED N#CC[C@@H](OC(=O)C1(c2ccccc2)CCC1)c1ccco1 1347948975 ODTUMVGVXZZZAC-MRXNPFEDSA-N 295.338 3.899 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccc(C(=O)O)c1 1588567973 XSNRILRFIHRCIH-UHFFFAOYSA-N 295.382 3.963 30 20 CHED C=C1CCN(C(=O)Nc2cccc(CSC)c2)CC1 1262254804 XATUONFIWHPOLI-UHFFFAOYSA-N 276.405 3.734 30 20 CHED CC(C)c1ccc(C2(C(=O)N3CC(C)(C#N)C3)CCC2)cc1 1344438745 HXCUUYROAGCEBO-UHFFFAOYSA-N 296.414 3.604 30 20 CHED Cc1cccc(Cl)c1C(=O)Nc1ccc(CC#N)cc1 1353514253 JXQRSFIZBQIVDO-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CN(CC[C@@H]1CC1(Cl)Cl)Cc1cccc(C#N)c1 822570017 DSKGDYZYVXDANF-CYBMUJFWSA-N 283.202 3.574 30 20 CHED Cc1ccnc(COc2nc(C(C)(C)C)ccc2C#N)c1 1353017286 MWLGQJFVRULAIY-UHFFFAOYSA-N 281.359 3.533 30 20 CHED C=C(Cl)COC(=O)c1cc(Cl)nc2ccccc12 105388352 JUXPPOIDNYAWFI-UHFFFAOYSA-N 282.126 3.798 30 20 CHED CN(C(=O)CSc1cccs1)C1(C#N)CCCCC1 109708233 VLWRLRMSHVAEHC-UHFFFAOYSA-N 294.445 3.525 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc3ccccc3c2)n1 1523625174 SWUUUMMFUACVTO-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1526314259 KQVVHEWHWYGKEA-UHFFFAOYSA-N 280.327 3.598 30 20 CHED CC[C@@H](C)CN(CC)c1ncc(Cl)c(C)c1C#N 1458234113 SZODNMNOAGHEEP-SNVBAGLBSA-N 265.788 3.788 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1ccc(C#N)cc1F 1527151035 UKRNFYUISMBBJV-MRXNPFEDSA-N 288.366 3.738 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 224447730 SKYKCQDPCAMWCD-JSGCOSHPSA-N 291.376 3.553 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cnc2ccccc2c1 1533221353 QQHKXYMXHNCZLN-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(C#N)cc1 1537105675 YCFAHNRYMHABMH-INIZCTEOSA-N 270.376 3.599 30 20 CHED CC(=O)c1c(F)cccc1OCc1ccc(C#N)cc1F 1614945188 YKMLIHXIIILPOC-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)c1nc(C#N)c(Cl)s1 1611775993 ZNVKQSANEKNNOJ-SCZZXKLOSA-N 269.801 3.683 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)Nc1sccc1C#N 1476828940 JAJICCJYZODDFN-UHFFFAOYSA-N 299.399 3.985 30 20 CHED CCCCCCCCC(=O)NCc1ccc(CO)cc1 227480477 UGKRQPUKAREVKF-UHFFFAOYSA-N 277.408 3.546 30 20 CHED CCO[C@H]1C[C@@H](Nc2nc(C)ccc2C#N)C1(CC)CC 1559121040 LADIMJFILSHJNA-CABCVRRESA-N 287.407 3.657 30 20 CHED Cc1ccc([C@H](C)Nc2ncc(C#N)cc2F)cc1 1651403098 AIFDCPOYMZUPOZ-NSHDSACASA-N 255.296 3.574 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)c2ccsc2C#N)C1 1585135219 NVPROIHIRKJDLC-SDDRHHMPSA-N 276.405 3.564 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 1658715360 YDZAXKYIZLHUPT-DZOHQFGASA-N 268.404 3.995 30 20 CHED Cc1cc(N[C@H]2c3ccccc3CC[C@@H]2C)ncc1C#N 1655319212 IQIKSZXPBVCMAD-KPZWWZAWSA-N 277.371 3.997 30 20 CHED C=C(Br)CN1CCCc2cc(F)cc(F)c21 1656980874 GVDYYAFAXIJFNP-UHFFFAOYSA-N 288.135 3.626 30 20 CHED CCc1cccc(Cl)c1CN1CCC[C@H](C#N)C1 1653091018 KGRWRZNLPDMDBX-GFCCVEGCSA-N 262.784 3.638 30 20 CHED C=CC[C@H](C(=O)O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 1588729105 HDHNJACOEKRCCK-HYVNUMGLSA-N 287.403 3.531 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(C(=O)O)ccc1Cl 1588736322 HGYFHHGPUOTONH-UHFFFAOYSA-N 296.750 3.684 30 20 CHED Cc1coc(C(=O)Nc2cc3ccccc3cc2C#N)c1 1583717988 ZMKRBIDAMCLPAJ-UHFFFAOYSA-N 276.295 3.865 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)o2)C1 1660682245 XOGKRTYZVVFIBE-CYBMUJFWSA-N 284.334 3.821 30 20 CHED Cc1csc(NC(=O)NC2(C)CCCCC2)c1C#N 1671651684 VOYHMYGPQPQXEB-UHFFFAOYSA-N 277.393 3.773 30 20 CHED C=CCN(Cc1ccc(F)cc1)Cc1ccccc1C(=O)O 1776180040 KTICNTBTNOFKGY-UHFFFAOYSA-N 299.345 3.712 30 20 CHED O=C(/C=C/c1cccc(C(=O)O)c1F)c1ccccc1F 1776131643 XMWHFERADIZZMJ-CMDGGOBGSA-N 288.249 3.559 30 20 CHED CCCCCCCNc1c(C(=O)O)nnc2ccccc12 1776785943 VSOROEUTADOWQB-UHFFFAOYSA-N 287.363 3.710 30 20 CHED Oc1cccc(/C=N/CC2(c3ccccc3)CCC2)c1O 11121574 NVYIXZVNHSNERN-XDHOZWIPSA-N 281.355 3.639 30 20 CHED CCN(CCC#N)C(=O)c1cc(C(C)C)nc2ccccc12 161167122 NDJTXMAIXGMADU-UHFFFAOYSA-N 295.386 3.734 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 160985314 LIHHIZMPUZBBEE-IRXDYDNUSA-N 265.356 3.636 30 20 CHED CCC(=O)[C@H](C)Sc1ccc(C#N)cc1Cl 163296286 BCFWZMILSKZYDG-QMMMGPOBSA-N 253.754 3.671 30 20 CHED C=CCC[C@@H](NC(=O)NCc1ccco1)c1ccccc1 153293135 SESJBPKKKPGCSM-MRXNPFEDSA-N 284.359 3.786 30 20 CHED CC(C)CCC(=O)N[C@@H](CCC#N)c1ccccc1 153682267 DSOWLAAIZBHEKQ-HNNXBMFYSA-N 258.365 3.584 30 20 CHED C[C@H]1CC[C@@H](Nc2c(Br)cccc2C#N)C1 1307210308 HAPDNQKIKKYFJY-GXSJLCMTSA-N 279.181 3.921 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(F)cc1 20126485 PODFNLPMZMOWOA-LBPRGKRZSA-N 270.307 3.901 30 20 CHED Cc1ccc(C#N)c(NC2CC(c3ccccc3)C2)n1 161171535 WLBCNDSPMDDHOU-UHFFFAOYSA-N 263.344 3.620 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CCCCC1(C)C 165346634 ZTHQETVHKFMMNI-MRXNPFEDSA-N 256.393 3.925 30 20 CHED Cc1ccc([C@H](C)NCc2cc(C#N)ccc2F)s1 49183538 BVDOBQUJIUTOHT-NSHDSACASA-N 274.364 3.918 30 20 CHED CN(C(=O)c1cc(Cl)ccc1F)c1cccc(C#N)c1 49121615 JNTLGXHIXAWBJG-UHFFFAOYSA-N 288.709 3.627 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(C)c(C)s1 49490035 DCYYMIBWXLCLBK-UHFFFAOYSA-N 270.357 3.797 30 20 CHED CCOc1ccc2nc(SCCCCC#N)[nH]c2c1 49579592 NIJYAIXGLMJLCM-UHFFFAOYSA-N 275.377 3.748 30 20 CHED CCN(Cc1ccc(C#N)cc1)c1ccccc1F 50011875 KAULLYJTEATMHK-UHFFFAOYSA-N 254.308 3.724 30 20 CHED N#Cc1ccc(NCCC(F)(F)F)cc1C(F)(F)F 63101067 FLHHGZUDLSQCMI-UHFFFAOYSA-N 282.187 3.941 30 20 CHED Cc1nc(C#N)cc(Oc2cccc(C(C)(C)C)c2)n1 308281993 WNQVMAHOYUYFLE-UHFFFAOYSA-N 267.332 3.747 30 20 CHED C=C(Br)CNC[C@H](C)c1cccc(Cl)c1 308975785 GPXNURSDECJUFK-VIFPVBQESA-N 288.616 3.942 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)ccc2F)C1 617783586 CHADVKHIMVZNIN-ZDUSSCGKSA-N 261.340 3.562 30 20 CHED CC(C)C1CCC(NCCc2cccc(C#N)c2)CC1 466422834 ANXSJQBYLINXCY-UHFFFAOYSA-N 270.420 3.905 30 20 CHED C=C(C)CCNCc1csc(-c2ccsc2)n1 449479489 VEEPXCBYSQWXOX-UHFFFAOYSA-N 264.419 3.927 30 20 CHED C=CC1CCN(C(=O)c2cc3cc(N)ccc3s2)CC1 706478961 MCIGWWXXRNYNJH-UHFFFAOYSA-N 286.400 3.522 30 20 CHED C=CCC(C)(C)CNCc1cc2ccccc2nc1O 380510414 ZGHPKGCDTRBOON-UHFFFAOYSA-N 270.376 3.632 30 20 CHED C=CCCSCCNCc1ccc(F)cc1C 594960831 WZMVOZWYWQXDBN-UHFFFAOYSA-N 253.386 3.533 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2CCCCCC2)c1 720262386 VIIZDTZNCTUHNQ-UHFFFAOYSA-N 260.312 3.606 30 20 CHED C[C@@H](NC[C@H]1CCCC1(F)F)c1ccc(C#N)cc1 381674285 LKKFNLORUFKJTQ-BXUZGUMPSA-N 264.319 3.644 30 20 CHED CCC(CC)(CC)CNCc1ccc(OCC#N)cc1 391167389 PMEZDLOPZATDMQ-UHFFFAOYSA-N 274.408 3.895 30 20 CHED CCc1ccc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 6285453 RUWXNUYVDLBAOZ-ZDUSSCGKSA-N 293.370 3.560 30 20 CHED CCc1ccc(CC)c(C(=O)COc2cccc(C#N)c2)c1 6400937 YEOUWNRZZPNMES-UHFFFAOYSA-N 293.366 3.945 30 20 CHED C=CCSCc1nc(-c2ccc(Cl)cc2)no1 109467892 CYDPRMKSLFIEEL-UHFFFAOYSA-N 266.753 3.809 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(C)oc1C 104544197 ILIRPAXRPPUMHN-UHFFFAOYSA-N 276.380 3.689 30 20 CHED C#CCCOC(=O)c1occc1CSc1ccccc1 170717597 KEBKECAIESKPJY-UHFFFAOYSA-N 286.352 3.752 30 20 CHED N#Cc1cccc(SCc2ccccc2[N+](=O)[O-])c1 177112715 BYLDWBGPQCLWCP-UHFFFAOYSA-N 270.313 3.759 30 20 CHED COCCOc1ccc(/C=C2\Cc3ccccc3C2=O)cc1 107099034 UIQAKWPJELWFNY-FOWTUZBSSA-N 294.350 3.534 30 20 CHED C[C@@H]1C[C@H]1NCc1cccc(OCc2ccccc2C#N)c1 109015648 WVWRKMRRZRCPPE-AUUYWEPGSA-N 292.382 3.635 30 20 CHED Cc1cc(N2CCC(CC#N)CC2)nc2ccccc12 1323642383 SNAMUUYBZKILRA-UHFFFAOYSA-N 265.360 3.673 30 20 CHED C=C(C)CNC(=S)N1CC=C(c2ccc(C)cc2)CC1 53157473 FVIHCRQQGULLCP-UHFFFAOYSA-N 286.444 3.535 30 20 CHED C[C@H]1Cc2ccccc2N1c1ccc([N+](=O)[O-])cc1C#N 104909775 QKUPFANHUCTVST-NSHDSACASA-N 279.299 3.549 30 20 CHED C=CCCC(=O)OCc1cc(C)nc2ccccc12 118900606 ATTFEDJZSBOSOH-UHFFFAOYSA-N 255.317 3.553 30 20 CHED C=CCN(CC=C)C(=O)c1c[nH]c2cc(Cl)ccc12 64334384 YKQJXEISHHWVRR-UHFFFAOYSA-N 274.751 3.636 30 20 CHED C=CCCC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 171441780 HLESZSMFZDEMRU-UHFFFAOYSA-N 284.237 3.751 30 20 CHED C[C@]1(CNc2c(Cl)cccc2C#N)CCCC[C@@H]1O 301488055 IYIOHMPSHOBHKF-DZGCQCFKSA-N 278.783 3.565 30 20 CHED CCC(CC)NCc1ccc(OC)c(OCCCC#N)c1 119987181 FZBHACDJHUZNNT-UHFFFAOYSA-N 290.407 3.656 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(C#N)nn1 302009179 VOJJKZYQMRGGQR-IRXDYDNUSA-N 292.386 3.511 30 20 CHED C=CCN1CCC(NC(=O)C[C@H](C)CCCCCC)CC1 171715316 FBOBXYNOVGAPIP-MRXNPFEDSA-N 294.483 3.750 30 20 CHED Cc1cccc(C)c1CCNc1ccc([N+](=O)[O-])c(C#N)c1 302175375 BXKHRHSVZMZPER-UHFFFAOYSA-N 295.342 3.738 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(OC(F)F)c2)CC1 111723931 AUWYEIAQQBAMKS-UHFFFAOYSA-N 296.317 3.718 30 20 CHED CC(C)(CCC#N)CNc1ccc(O[C@H]2CCOC2)cc1 174420681 UXZACLUSBJRQJR-INIZCTEOSA-N 288.391 3.596 30 20 CHED C#CCCCOC(=O)c1cnc(-c2ccccc2F)s1 63236482 FHXYBYHOHYSBPX-UHFFFAOYSA-N 289.331 3.519 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@H]1c1c(F)cccc1F 301321638 SXQSGEJTDUMAKP-RFAUZJTJSA-N 288.272 3.944 30 20 CHED N#Cc1cc(F)ccc1CSCc1ccc(CO)cc1 305849605 UMHFDROCWNOTSB-UHFFFAOYSA-N 287.359 3.623 30 20 CHED CC(C)(C#N)C(=O)NCCCc1ccc(Cl)cc1Cl 173992378 YOHNURNITWCMRU-UHFFFAOYSA-N 299.201 3.592 30 20 CHED CCC[C@@H](C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 175023906 FSHMZAFTUCASIF-GFCCVEGCSA-N 297.320 3.609 30 20 CHED CCn1nccc1/C=C1/COc2c(cccc2C(C)C)C1=O 125400969 OSNNGQTUDHMYRS-RAXLEYEMSA-N 296.370 3.685 30 20 CHED CCC(CC)[C@H]1C[C@H](Nc2ccc(C#N)cc2)CCO1 302020672 DQFVCPSEHUHHNF-IAGOWNOFSA-N 272.392 3.954 30 20 CHED C=C(C)CNC(=S)N(CCC)CC1CCCCC1 60432059 KLTNZYRMKDWGEK-UHFFFAOYSA-N 268.470 3.729 30 20 CHED CC[C@H](C)N/C(N)=N/CC1(c2cccs2)CCCCC1 304291365 LZNYDWMAWRORPJ-ZDUSSCGKSA-N 293.480 3.653 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 128687117 CZMIQRLOXZCVIR-KRWDZBQOSA-N 284.403 3.528 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(N3CCCC3)c(F)c2)C1 185728130 YGMNZBQCKMSJQQ-KBPBESRZSA-N 287.382 3.920 30 20 CHED C=CCCSc1nnc(COc2ccc(Cl)cc2)[nH]1 128647170 WGHOQDWMJLXBKJ-UHFFFAOYSA-N 295.795 3.705 30 20 CHED Cc1ccccc1OC(=O)CSc1ccc(C#N)cc1 75460000 DWRMANZKSBMMMY-UHFFFAOYSA-N 283.352 3.564 30 20 CHED CCc1ccccc1CC(=O)Nc1cccc(C#N)c1C 188533613 KGLIBMIVOVXVIZ-UHFFFAOYSA-N 278.355 3.610 30 20 CHED CCS[C@H]1CCC[C@@H](N[C@@H]2CCC[C@H](C#N)C2)C1 185854091 MJZFJVAOPGTHRE-YJNKXOJESA-N 266.454 3.723 30 20 CHED C=CCCC(=O)N1CCc2c(cccc2C(C)C)C1 189987051 MRDYZDFMOMBJTM-UHFFFAOYSA-N 257.377 3.661 30 20 CHED C=CCCCC(=O)N1CCCc2c1cc(F)c(F)c2F 411068137 WSHVCJHMBXLFJA-UHFFFAOYSA-N 283.293 3.739 30 20 CHED CC[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1CC1(C)C 416844928 UGNBGJWWWKWFCP-CABCVRRESA-N 285.391 3.699 30 20 CHED Cc1ccc(C)c(NC(=O)CSc2ccc(C#N)cc2)c1 509667338 ZTVFWTKDIAPKGJ-UHFFFAOYSA-N 296.395 3.906 30 20 CHED COCC1CCC(Nc2ncc(Cl)c(C)c2C#N)CC1 413536193 VCBKOZNMAUICHZ-UHFFFAOYSA-N 293.798 3.532 30 20 CHED C=C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 520852056 WUKCVNSAOOYGMR-UHFFFAOYSA-N 272.323 3.633 30 20 CHED CN(CCC(=O)OC(C)(C)C)CCC1(C#N)CCCCC1 411321572 URMYNWOQKHTRMT-UHFFFAOYSA-N 294.439 3.514 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(N(C)C)cc1 182757925 XIGQKTQJCQUWDA-CYBMUJFWSA-N 275.396 3.619 30 20 CHED C[C@@H](c1ccco1)N(C)Cc1ccc(Cl)cc1C#N 186803963 OEHBVRNTHSTFOX-NSHDSACASA-N 274.751 3.998 30 20 CHED C#Cc1cccc(NC(=O)c2cccc(C(F)F)c2)c1 171529009 UBJPOGRUMJSONW-UHFFFAOYSA-N 271.266 3.858 30 20 CHED C#CCCCCN[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 180941205 DQKRESADUPKITM-OAHLLOKOSA-N 280.415 3.727 30 20 CHED N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1F 76826488 IHVZVXNHIFOVEI-CABCVRRESA-N 298.292 3.579 30 20 CHED Cc1cc(C)cc(OCCNc2ccc(C#N)cc2F)c1 507015107 NRHVAFHKGUYHIF-UHFFFAOYSA-N 284.334 3.805 30 20 CHED CCc1ccccc1CNCc1ccc(C#N)c(C)c1 444001470 KSWYABCBBLGGAU-UHFFFAOYSA-N 264.372 3.719 30 20 CHED CCO[C@H]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C 411784638 BZQDMRMMGAYCRD-HOTGVXAUSA-N 278.440 3.597 30 20 CHED N#CCCSc1ccccc1NC(=O)CCn1cccc1 73476436 HCFRFWLXSKJGMB-UHFFFAOYSA-N 299.399 3.523 30 20 CHED C[C@H](NCC(C)(C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1 181557587 UZKUSMSEWKCOCV-CVEARBPZSA-N 299.462 3.719 30 20 CHED CC1(C)C[C@H]1C(=O)Nc1ccccc1SCCC#N 128178112 GTIIZFKIIUCPIB-NSHDSACASA-N 274.389 3.677 30 20 CHED COCc1cccc(COc2cc(Cl)ccc2C#N)c1 446949511 VMWMPNQFGXAXQX-UHFFFAOYSA-N 287.746 3.937 30 20 CHED Cc1ccc(OC(F)F)c(CSCCC#N)c1 413011446 CRJSXWXAIGDYSV-UHFFFAOYSA-N 257.305 3.743 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[C@H](C)CC 182959947 DYNOPCNZKUCUFN-HUUCEWRRSA-N 286.419 3.979 30 20 CHED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 185831642 DSDZWTCVXIWCNX-SJORKVTESA-N 270.420 3.927 30 20 CHED C[C@H](NC(=O)N(C)C1CCCCCC1)c1cccc(C#N)c1 74916878 NYCBBTCVRJENKM-AWEZNQCLSA-N 299.418 3.983 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccc(F)c(F)c1 181429913 IGOYUVFFRNQJKG-GFCCVEGCSA-N 296.361 3.851 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ncccc1Cl 42611559 HMLSUDQEHMZTSE-NSHDSACASA-N 298.839 3.640 30 20 CHED C=CCNC(=O)CCC(=O)c1ccc(CCCCC)cc1 45479845 UNIJDILBZMYKMG-UHFFFAOYSA-N 287.403 3.684 30 20 CHED O/C(=N/C1CCC1)[C@H]1CC[C@H](/C(O)=N\C2CCC2)CC1 329501738 YSOJQIYRWLSUMM-HAQNSBGRSA-N 278.396 3.811 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCC1(C#N)CCC1 416346981 NOCLCTNAYYNSBF-CABCVRRESA-N 296.414 3.786 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@@H](C)SC 506652581 PCQLVNYGKZYXQF-CYBMUJFWSA-N 284.469 3.516 30 20 CHED CCc1onc(C)c1N=C(O)N1C[C@@H](C)c2ccccc21 328879363 JZAOPECMDQXMPC-SNVBAGLBSA-N 285.347 3.715 30 20 CHED Cc1ccc(Br)cc1Oc1cccc(C#N)n1 228333534 VAPISDGQKNLRRG-UHFFFAOYSA-N 289.132 3.817 30 20 CHED C=C(C)COCCNC(=O)Nc1ccc2ccccc2c1 136880229 DQRAZBZPCOBHAK-UHFFFAOYSA-N 284.359 3.554 30 20 CHED C=CCN(CC=C)C(=O)c1cc2ccc(Cl)cc2[nH]1 46305192 WLJVUZKWFSRBGV-UHFFFAOYSA-N 274.751 3.636 30 20 CHED C[C@@H]1C[C@@H](C)[C@H](C(O)=Nc2ccc3ccoc3c2)O1 328675453 QUPAZJRIKONBIV-GPCCPHFNSA-N 259.305 3.834 30 20 CHED C[C@@H](Cc1cccs1)NCC(C)(C)CCC#N 229679419 NWXDAFRGBWTVFH-LBPRGKRZSA-N 250.411 3.599 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)o1 48853263 VJCLYNKVESSCKI-CYBMUJFWSA-N 276.295 3.626 30 20 CHED N#Cc1csc(CNc2ccc3c(c2)CCCC(=O)N3)c1 130485309 JDHKLQCPHDMLGF-UHFFFAOYSA-N 297.383 3.507 30 20 CHED C[C@@H](C#N)NC(=O)c1cc2sc3ccccc3c2s1 195444627 PAGMZEACKUKVGV-QMMMGPOBSA-N 286.381 3.758 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCc1cc(Cl)cc(Cl)c1 285158098 SCBXNZGFIWPOPB-AWEZNQCLSA-N 299.201 3.592 30 20 CHED Cc1c(C(=O)N(C)C[C@H](C)C#N)sc2ccc(F)cc12 49424578 HEGACGUTGNTCPH-SECBINFHSA-N 290.363 3.581 30 20 CHED C#CCCCC(=O)Nc1cccc(C(F)(F)F)c1C 192153231 CYFYADVNYSHEBD-UHFFFAOYSA-N 269.266 3.756 30 20 CHED N#C[C@@H](/N=C(/O)CC1CC(c2ccccc2)C1)C1CC1 329754932 XSAHBMIAWADYKU-VDSRIPIWSA-N 268.360 3.829 30 20 CHED CC[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1 45246309 MRWFPPBWISSQLZ-GOSISDBHSA-N 292.382 3.710 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CC(F)(F)F)C1 421954342 GLYJCILHSYQFKC-YPMHNXCESA-N 277.330 3.780 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(Cc3cc(C#N)n(C)c3)C2)cc1 426540645 QGNZNSGICWDNJE-QAPCUYQASA-N 293.414 3.583 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](CCO)CC2)CCCCC1 422065182 KTPINVFVNOEPGI-INIZCTEOSA-N 293.451 3.524 30 20 CHED Cn1ccc2ccc(NCc3cccc(C#N)c3)cc21 190606911 CYOPHUVKLDXRHN-UHFFFAOYSA-N 261.328 3.662 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(Br)o1 191325443 CNZQLBLCBXTABF-UHFFFAOYSA-N 299.212 3.804 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](CN)c2ccc3ccccc3c2)C1 423362170 AYEPEGBFCRBWLE-CCKFTAQKSA-N 293.414 3.512 30 20 CHED CC(C)n1ccnc1CN(C)[C@@H](C)c1cccc(C#N)c1 425540166 VAZRPLPSGCUZBB-AWEZNQCLSA-N 282.391 3.529 30 20 CHED C[C@]1(CNc2cccnc2C#N)C[C@H]1c1ccccc1 338743721 RJBNOUKFEDEXIK-WMLDXEAASA-N 263.344 3.559 30 20 CHED C=CCN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 428796495 YJKQSJMFTYTDGY-BXUZGUMPSA-N 285.309 3.653 30 20 CHED N#CCc1ccccc1NC(=O)Cc1cccc(Cl)c1 339164187 HUSDRVPZQVKBQZ-UHFFFAOYSA-N 284.746 3.587 30 20 CHED C=CCCSCc1cn(-c2ccc(Cl)cc2)nn1 339092976 WQMGMSYSOLRCNJ-UHFFFAOYSA-N 279.796 3.730 30 20 CHED CC1(NC(=O)[C@@H](C#N)CCc2ccccc2)CCCCC1 330435072 ADRJTTHCWUIMKD-MRXNPFEDSA-N 284.403 3.598 30 20 CHED N#Cc1cc(C(=O)Nc2ccccc2Cl)ccc1F 334353521 YIZPWEHKQIJZFD-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CCCc1ccccc1N=C(O)NC1(CC)CCOCC1 330797720 GSHCWEJUCJSNQQ-UHFFFAOYSA-N 290.407 3.733 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2cccc(C#N)c2)c1 338395602 KKBZKADFNJVDCY-UHFFFAOYSA-N 279.343 3.531 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 336384938 ZFZFVFWXURIBNY-RDTXWAMCSA-N 294.398 3.610 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccc(OCC2CC2)cc1 436403385 ALROBRTYCYYZDY-UHFFFAOYSA-N 289.338 3.962 30 20 CHED CC1=C(C(=O)Nc2ccc(Cl)cc2CC#N)CCC1 336283522 WAVXASNKLVKHOR-UHFFFAOYSA-N 274.751 3.845 30 20 CHED C#CCCCCN[C@H](C)Cc1ccc(Br)cc1 235483875 UGPQSJFPKIWRHQ-CYBMUJFWSA-N 294.236 3.773 30 20 CHED CCOc1cc(C(=O)Nc2ccccc2CC#N)ccc1C 521938906 WTOIHZSAAMFZAW-UHFFFAOYSA-N 294.354 3.712 30 20 CHED C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C 437577356 JVPBTSVYUJUNME-CHWSQXEVSA-N 297.320 3.525 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)CCC1CCCCC1 435452152 GVPYADGABLTUPZ-LBPRGKRZSA-N 288.391 3.939 30 20 CHED C=CCC(CC=C)C(=O)NCc1cnc2ccccc2c1 343456873 OKVATCGKWIGZKA-UHFFFAOYSA-N 280.371 3.619 30 20 CHED N#CCc1ccccc1NC(=O)CCSc1ccccc1 344353735 DDADAUIFDAOIFC-UHFFFAOYSA-N 296.395 3.874 30 20 CHED C=CCOc1cccc(CN(Cc2cccnc2)C2CC2)c1 349234070 AOXZXGANLXVTOP-UHFFFAOYSA-N 294.398 3.811 30 20 CHED C=C1CCN(C(=O)c2cccc(OC3CCCC3)c2)CC1 342782408 HTCCRZQLCFBTPF-UHFFFAOYSA-N 285.387 3.800 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SC[C@@H](C)C(F)(F)F 439030020 YIOYVOIGORMUQF-MNOVXSKESA-N 297.386 3.731 30 20 CHED CCCCCCCC(=O)NCc1ccccc1COC 248251556 JDQCGGXFYNUABR-UHFFFAOYSA-N 277.408 3.810 30 20 CHED N#Cc1cc(F)cc(OCc2cc(-c3ccco3)on2)c1 340807800 XXABNWRMLHXTQG-UHFFFAOYSA-N 284.246 3.524 30 20 CHED Cc1cccc2sc(C(=O)N[C@@H](C)C#N)c(Cl)c12 604543927 VYPISTFCXMOBQG-QMMMGPOBSA-N 278.764 3.505 30 20 CHED COc1ccncc1CSCc1ccc(F)cc1C#N 341900387 LHPZZUVPGNGRDQ-UHFFFAOYSA-N 288.347 3.534 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2ccc(C)nc2)CCCC1(C)C 347480110 HLAMFRUSFSPMRE-INIZCTEOSA-N 286.419 3.526 30 20 CHED C[C@@H](CCC#N)CN1C[C@@H]2CCCCN2c2ccccc21 602677094 SDRFCHQRRIJYCH-HOTGVXAUSA-N 283.419 3.805 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 609345670 JMHZRGWRUKLRHA-JLSDUUJJSA-N 292.382 3.752 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2c(c1)CCC1(CCC1)O2 529708358 UDYSYIIGWVLXFB-UHFFFAOYSA-N 298.386 3.813 30 20 CHED CCN(CC1CC(F)(F)C1)[C@@H](C)c1ccc(C#N)cc1 295493175 KAWVFQWMBJJALP-LBPRGKRZSA-N 278.346 3.986 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@H]1C 252924329 LBLFGPQQAPTWCJ-VXGBXAGGSA-N 262.784 3.690 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 528740163 PODPSHWRCMBRQB-DOTOQJQBSA-N 298.430 3.796 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 435158183 IQTCEMUHLGPUMG-JKIFEVAISA-N 296.414 3.531 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cccc(Cl)c1Cl 538198741 STCWYUMHVWJKQT-MNOVXSKESA-N 288.218 3.829 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cc(Cl)ccc1Cl 538194764 LKUTZFSQHJDDRB-GHMZBOCLSA-N 288.218 3.829 30 20 CHED C=C(C)COCCN[C@@H]1CCCc2c(Cl)cccc21 349531849 ASWCCKIQKDLEBA-MRXNPFEDSA-N 279.811 3.900 30 20 CHED Clc1ccc2nc(CON=Cc3cccs3)cn2c1 255550531 USEBKMLXACOPCK-UHFFFAOYSA-N 291.763 3.600 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccsc1C 297574181 BHUKKWXTKGNOOJ-UHFFFAOYSA-N 264.394 3.601 30 20 CHED C=CCC[C@@H](NC(=O)Cc1ccco1)c1ccccc1 340679302 FZJLHAATXBXPKK-MRXNPFEDSA-N 269.344 3.646 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(OCC(C)C)cc2)cn1 254991428 KUISDHYKDFCORH-YHYXMXQVSA-N 298.386 3.834 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCc1cc2ccccc2o1 602514033 KLIKNIQVRMEXGH-CQSZACIVSA-N 298.386 3.621 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 448593973 HOMHNQYFWSQONU-ZBFHGGJFSA-N 270.376 3.908 30 20 CHED C[C@H](C#N)C(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 440893151 IJCGVICYSJSGKF-DEOOBNHLSA-N 282.387 3.631 30 20 CHED C=CC(C)(C)C(=O)NCC1(c2ccc(Cl)cc2)CC1 448886608 NVEXDUHYGHQOHZ-UHFFFAOYSA-N 277.795 3.700 30 20 CHED C[C@H](CC#N)N[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 602870701 VSIBBLQVXRSWIE-GHMZBOCLSA-N 289.766 3.948 30 20 CHED CC[C@@H](C)[C@@H](C)N(CCOc1cccc(C#N)c1)C1CC1 609204353 JBJAOCRPZCKKAG-HUUCEWRRSA-N 286.419 3.836 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(C2(C#N)CC3(CC3)C2)n1 601361782 FSMWCNXEEMAMHG-NWDGAFQWSA-N 271.364 3.699 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H]1Cc2ccccc21 607046466 PUJAEEJKMAYRPK-IBGZPJMESA-N 291.394 3.584 30 20 CHED CC[C@H](NCCCCC(C)(C)C#N)C1CCOCC1 444671170 JMRYKXFMCIXQKU-HNNXBMFYSA-N 266.429 3.501 30 20 CHED CC1(C)CCC(C(=O)Nc2cccc(OCC#N)c2)CC1 269056042 QGSUPPAWYJNGAO-UHFFFAOYSA-N 286.375 3.744 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(C[S@@](C)=O)cc1 449322203 WVCLDXGJYSNQDI-FOIQADDNSA-N 293.476 3.790 30 20 CHED C=C(C)[C@@H](CC(=O)NCCCCC1CCCC1)OCC 535913215 GNBXGSXZDPAXQC-MRXNPFEDSA-N 281.440 3.834 30 20 CHED CCN(CCC#N)CCn1ccc2cc(Cl)ccc21 351521088 TVYFWOUOUQOTDR-UHFFFAOYSA-N 275.783 3.530 30 20 CHED CCc1ccc(CNC2CCC(C)(C#N)CC2)s1 449080728 YRSJGGAAPAQYQY-UHFFFAOYSA-N 262.422 3.873 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(N[C@H]2CC[C@@H](C#N)C2)c1 442853244 IZWKPWAAATZMEG-CABCVRRESA-N 280.375 3.593 30 20 CHED C=CCCc1csc(-c2ccc(C(=O)OC)cc2)n1 535592692 HKAPFZSGBFFWGI-UHFFFAOYSA-N 273.357 3.715 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCCCC2)CC1 265484018 MIAQFCJBZOWMHI-MRXNPFEDSA-N 297.446 3.570 30 20 CHED C=CCN(C(=O)c1cc(C)c(Cl)cc1C)C1CC1 356684274 VNOAZDGCCAUOJW-UHFFFAOYSA-N 263.768 3.747 30 20 CHED N#CC[C@H](CC(=O)Nc1cccc(C#N)c1)c1ccccc1 353305712 OORYIFVPMXMZNQ-MRXNPFEDSA-N 289.338 3.584 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H](OC)c1ccc(OC)cc1 536844442 IJVBZAZGWXKQCB-YRBFXIGRSA-N 291.435 3.962 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 611252466 JCIAULBMBSCBAY-SKDRFNHKSA-N 299.201 3.761 30 20 CHED C[C@@H](CCC#N)N1CCC(Oc2ccccc2Cl)CC1 351490186 DYUWTLJIGLXIQX-ZDUSSCGKSA-N 292.810 3.875 30 20 CHED Cn1cc(/C=C\c2nc3ccccc3s2)cc1C#N 358651590 BWFATQSSJTZRNM-SREVYHEPSA-N 265.341 3.677 30 20 CHED C=CCC1(NC(=O)c2ccc(C(C)=O)cc2F)CCCC1 619110899 LAMMRFPKUOEQIY-UHFFFAOYSA-N 289.350 3.647 30 20 CHED C[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CC(C)(C)C1 442894848 CJSGAYFZRXOMKB-KBPBESRZSA-N 256.393 3.987 30 20 CHED C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1cccc(C#N)c1 610360266 UMTUDMWTHKZBNI-GFCCVEGCSA-N 289.338 3.531 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2ccccc2SCCC#N)C1(F)F 359365063 WIBIOMREQDECAX-BXKDBHETSA-N 296.342 3.532 30 20 CHED Cc1nc(-c2ccc([C@@H](C)N[C@H](C)C#N)cc2)cs1 358866125 RNKDCDUTSOXMEE-GHMZBOCLSA-N 271.389 3.681 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(OC(C)C)cc2)C1 617788408 IGVRYOXMJAXHJB-OAHLLOKOSA-N 287.403 3.902 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1ccc(C#N)cc1 611298763 XSMKIPKGBWGOMF-SJCJKPOMSA-N 284.334 3.885 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 539926680 AXKAFIJKKOXVTJ-GXSJLCMTSA-N 299.201 3.905 30 20 CHED Cc1c(C#N)cccc1NC(=O)Cc1cc2ccccc2o1 610907358 PHLGVRZLVQBYFR-UHFFFAOYSA-N 290.322 3.794 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(Cl)ccc1OC 453354249 NFAIPRXDSJMZJI-GLQYFDAESA-N 295.810 3.733 30 20 CHED CC[C@@H](C)N(C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 360828755 AHCOMGGGWCWRCV-DNVCBOLYSA-N 299.462 3.646 30 20 CHED N#Cc1ccsc1NC(=O)C[C@H]1CCc2ccccc2C1 264853228 OVFTWXVOVONBDK-LBPRGKRZSA-N 296.395 3.753 30 20 CHED CC1(C)C[C@@H](Nc2ncccc2C#N)c2ccc(F)cc2O1 366294737 FRXGGYGKHROZEI-CQSZACIVSA-N 297.333 3.807 30 20 CHED C=C(CC)CNC(=O)Nc1c(C)cccc1SC 455165494 VRBJVJUWBAQEIA-UHFFFAOYSA-N 264.394 3.805 30 20 CHED Cc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc(C)c1F 611199870 OVPDEBUQQNPNQY-CYBMUJFWSA-N 296.345 3.805 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2cccc(C(F)F)c2)C1 617780152 PGKCMCSYRLGLJC-CYBMUJFWSA-N 293.357 3.981 30 20 CHED CC(C)(CCC#N)CNC[C@@H](O)c1ccc2ccccc2c1 266247121 ZAGZUKVGZPTYKF-GOSISDBHSA-N 296.414 3.793 30 20 CHED C=CCC[C@H](CCC)NCC(C)(C)N1CCC(OC)CC1 360239811 SFURXKWHJZMHBK-INIZCTEOSA-N 296.499 3.600 30 20 CHED CC(C)(C#N)CCNc1ccc2c(c1)CCCC2=O 453135295 SQRYGKTUVAYVLQ-UHFFFAOYSA-N 256.349 3.557 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C2CC2)cc1 614133754 QOJUEUNUVSJIGN-INIZCTEOSA-N 255.361 3.745 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2cccc(O)c2)CCCC1 450170266 VUXZWJNFMCYOJZ-AWEZNQCLSA-N 287.403 3.576 30 20 CHED C=CCN(Cc1coc(-c2ccc(OC)cc2)n1)C1CC1 271457248 PEYFHWCZTPXYOI-UHFFFAOYSA-N 284.359 3.501 30 20 CHED C=CC(C)(C)CN[C@H](C)c1sc(CC)nc1C 453306930 KMORCBDRCQEORE-SNVBAGLBSA-N 252.427 3.877 30 20 CHED C=CCC[C@H](CC)N1CCC(OCCOC(C)C)CC1 453362194 NOUTVBQIRQFYIH-INIZCTEOSA-N 283.456 3.637 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1ccc(CC#N)cc1 270227256 IWYVKKWEERXOPO-UHFFFAOYSA-N 292.382 3.805 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(CCC)s1 621351394 QATLLAIWINFBEQ-XJKSGUPXSA-N 279.449 3.771 30 20 CHED CC(C)CCCCC(=O)Nc1ccc(C#N)c(C#N)c1 457591867 ZTCVBPYAHPGBSC-UHFFFAOYSA-N 269.348 3.585 30 20 CHED C[C@H](C(=O)N[C@H](C)CC(C)(C)C)c1cccc(C#N)c1 457201107 XRYJARHUFQUMQA-OLZOCXBDSA-N 272.392 3.603 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)NCC(C)(C)CCC#N 458774527 VLGQATPEXSLTHX-CZUORRHYSA-N 279.428 3.584 30 20 CHED C=CCCC1(c2nc([C@@H](Cc3ccccc3)OC)no2)CC1 453208186 APHLSSJYDSUJMG-OAHLLOKOSA-N 298.386 3.998 30 20 CHED C=CCC[C@H](NC[C@](C)(CC)OC)c1ccco1 453291880 BZJWRSVNTORHEI-ZFWWWQNUSA-N 251.370 3.692 30 20 CHED CC(C)C[C@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CCO1 272035261 SQIOIZDXESFABT-OLZOCXBDSA-N 293.798 3.612 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)c(OC(C)C)c1 278373585 CDFFLQLFHRHNIS-UHFFFAOYSA-N 276.380 3.822 30 20 CHED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)CC(C)C)n1 450797639 UMZDIVOMVLPFRH-NSHDSACASA-N 292.404 3.657 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCCC(C)(C)[C@@H]1C#N 451198186 BLZCDGFEMHGMST-ILXRZTDVSA-N 276.424 3.744 30 20 CHED C=C(C)CCNC(=O)C(C)(C)Cc1ccc(Cl)cc1 457836661 NHYKISDAGRXILQ-UHFFFAOYSA-N 279.811 3.991 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C/c1ccsc1 276332197 YISPRYXABHTMQC-VOTSOKGWSA-N 276.405 3.692 30 20 CHED C=CCCN(C)CCc1cccc(OC(F)(F)F)c1 467286078 OYAGTAPFDDUCQG-UHFFFAOYSA-N 273.298 3.636 30 20 CHED C=CCCOCC(=O)NC1CCC(C(C)(C)CC)CC1 620163161 LVCGOUFBDHRQST-UHFFFAOYSA-N 281.440 3.690 30 20 CHED C=C(C)[C@H](CC(=O)Nc1nc2ccsc2s1)OCC 270014073 BNBHDHLKWBZADF-JTQLQIEISA-N 296.417 3.668 30 20 CHED Cc1cc(F)ccc1-c1noc(C2(C#N)CCCC2)n1 273799270 HPWHUMGEUTYGKJ-UHFFFAOYSA-N 271.295 3.520 30 20 CHED C=CCC[C@H](C)NC[C@@H](CO)Cc1c(F)cccc1Cl 544567399 BZMDYVFSRNXLFW-STQMWFEESA-N 299.817 3.574 30 20 CHED C=CCCC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 540521389 MXEHLDHVXCAEIL-UHFFFAOYSA-N 291.354 3.930 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1OCC 469663141 UYMGZRLHUXYMQY-SNVBAGLBSA-N 282.771 3.825 30 20 CHED CSc1cccc(N(C)Cc2cccc(C#N)c2)c1 546256547 MFWHGUXNXDICFO-UHFFFAOYSA-N 268.385 3.917 30 20 CHED N#CC1(c2nc(-c3cnc4ccccc4c3)no2)CCCC1 547121286 CFOZFPRUGWHNCM-UHFFFAOYSA-N 290.326 3.620 30 20 CHED N#CCC(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 375968068 HSHIRXJUNJBGLF-CABCVRRESA-N 290.794 3.786 30 20 CHED C=C(C)CN(CCc1ccc(C)cc1)C[C@H]1CCCO1 464775612 MSRSMSSXPFGASB-GOSISDBHSA-N 273.420 3.595 30 20 CHED C=CCC[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccco1 286152260 OXOWSPQCWNBROD-LSDHHAIUSA-N 291.391 3.562 30 20 CHED C[C@@H]1CCN(CCCC2(C#N)CCOCC2)CC12CCC2 375621019 NLDXVYCMUWRGNT-MRXNPFEDSA-N 290.451 3.599 30 20 CHED C=CCOc1ccc(C(=O)N2CCc3ccc(C)cc32)cc1 621980753 LPOIIXHJEHQUDZ-UHFFFAOYSA-N 293.366 3.763 30 20 CHED N#CC1(N(C(=O)c2cc3cc(F)ccc3o2)C2CC2)CCC1 551652630 PLYBQKGLANIBAY-UHFFFAOYSA-N 298.317 3.623 30 20 CHED C#CCC1(C(=O)N2CCC(C)=C(C)C2)CCCCC1 280185967 HMRBEPHEVNKXML-UHFFFAOYSA-N 259.393 3.529 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(Cl)s2)no1 288989997 GDTRUFJTHUEGGO-NSHDSACASA-N 267.741 3.643 30 20 CHED Cn1cc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1C#N 280161534 FIBCLTNKBIOBSQ-KOMQPUFPSA-N 299.805 3.586 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@@H](C(C)C)C1 554627259 ATZBZVHAFJJATE-OAHLLOKOSA-N 288.439 3.604 30 20 CHED C=C(CC)CS[C@@H]1CCCN(CC(C)(C)C)C1=O 460797604 UXGMSVFXCQPNJX-CYBMUJFWSA-N 269.454 3.723 30 20 CHED C[C@H](COCC(F)(F)F)Nc1c(Cl)cccc1C#N 462378400 DDUMDRZLDBAVRJ-MRVPVSSYSA-N 292.688 3.591 30 20 CHED CC[C@@H](C(=O)NCC1CCC(C#N)CC1)c1ccccc1 282853153 WZUHWSLTRADZDX-VMBOVVBDSA-N 284.403 3.626 30 20 CHED C=Cc1ccc(CCNCc2cc(C#N)cs2)cc1 462910191 CSYMRNTXZLHLAP-UHFFFAOYSA-N 268.385 3.595 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 289780185 MPTSXWGHCMVMKN-XOKHGSTOSA-N 284.403 3.509 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(Cl)cc1Cl 636572872 CBGWZDFQEMKXSM-GFCCVEGCSA-N 273.163 3.929 30 20 CHED CC[C@](C)(C#N)c1nc(-c2cccc(Cl)c2)no1 285238132 GIESHVLKOFHQAJ-CYBMUJFWSA-N 261.712 3.581 30 20 CHED C=CCCN(C)[C@H](COC)c1ccc(Cl)cc1 558826900 OEKRJVJYWHTIJQ-CQSZACIVSA-N 253.773 3.535 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CC12CCCC2 475736636 AVJMHDQCLYJZHU-CYBMUJFWSA-N 262.397 3.545 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cc[nH]c2C(C)C)cc1 293635208 ZPHBJEWUOWDICG-MRXNPFEDSA-N 295.386 3.695 30 20 CHED CCOC1(C)CCN(Cc2ccc(Cl)cc2C#N)CC1 298198183 CDAVXOVYULGMSA-UHFFFAOYSA-N 292.810 3.603 30 20 CHED CCCCCCCCCC(=O)N(C)c1nccn1C 298144083 YITBWCWCPJMAAL-UHFFFAOYSA-N 265.401 3.524 30 20 CHED Cc1ccc(=N[C@@H](C)c2cc3cccc(F)c3o2)[nH]c1C#N 473913970 UIMBYCRNKHJUJQ-NSHDSACASA-N 295.317 3.742 30 20 CHED C#C[C@@H](NC(=O)NCc1oc2ccccc2c1C)C(C)(C)C 808271866 UWBZTKPFNBSIQL-MRXNPFEDSA-N 298.386 3.588 30 20 CHED CC(C)(C(=O)N[C@@H](C#N)C(C)(C)C)c1cccc(Cl)c1 291425402 LBEKVOZHXAUBIS-ZDUSSCGKSA-N 292.810 3.672 30 20 CHED CCCCCCCS(=O)(=O)N[C@@H](C)c1ccsc1 800951923 QPIZQDSHMRAKKM-LBPRGKRZSA-N 289.466 3.699 30 20 CHED Cn1cnc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 800791566 CFNTWBZUTDPILX-HWKANZROSA-N 281.142 3.623 30 20 CHED CC1(C)[C@@H](OCc2ccccc2)C[C@H]1N[C@@H]1CC[C@@H](C#N)C1 471587724 VNHHWFDVPZDTTQ-TVFCKZIOSA-N 298.430 3.652 30 20 CHED CC[C@H]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 479403583 BNHLBUBDKSLFIF-CZIWCDLHSA-N 296.414 3.675 30 20 CHED C=CCCCCN[C@@H]1CCc2c(F)ccc(F)c21 471607499 VABLNLXMQHNPOT-CQSZACIVSA-N 251.320 3.898 30 20 CHED N#Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(Cl)c1 297885513 RSFCHWHMLRVVAP-INIZCTEOSA-N 299.761 3.624 30 20 CHED CCCCN(C(=O)NCC1(C#N)CC1)[C@H](C)c1ccccc1 562394948 PKRYKTJCVVVFCB-OAHLLOKOSA-N 299.418 3.863 30 20 CHED C=CCC[C@@H](NC(=O)CCCCN(C)C)c1ccccc1 568010137 HEUDUARNAFAEOA-QGZVFWFLSA-N 288.435 3.542 30 20 CHED C#C[C@@H](NC(=O)c1cscc1C)c1ccc(Cl)cc1 811949037 NGJISRGQOIEJHI-CQSZACIVSA-N 289.787 3.814 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 811949628 JZYHQVFXPZWIHB-YUDUHTQSSA-N 287.790 3.567 30 20 CHED C=CCCCC(=O)Nc1ccc2cn(C(C)C)nc2c1 488232192 LRVSIXLHSLDEOB-UHFFFAOYSA-N 271.364 3.912 30 20 CHED COc1cc(F)cc(NN=Cc2cccc3cc[nH]c23)c1 814871121 YMOILNIPSYWFPB-UHFFFAOYSA-N 283.306 3.762 30 20 CHED CC(C)C[C@H](NCc1cc(C#N)n(C)c1)c1cccs1 480670961 ZKOXHAXCUGRAKY-HNNXBMFYSA-N 287.432 3.835 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NOC1CCC1 812235244 QDLILERJOIJZQK-UHFFFAOYSA-N 261.218 3.748 30 20 CHED Cc1nc(C)c2c(C)c(C=NOCCC3CC3)sc2n1 814246143 UHHJWBCBALMZDX-UHFFFAOYSA-N 289.404 3.767 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc(C(C)(C)C)s1 489699188 AZZIKEGTIVHCTO-UHFFFAOYSA-N 280.437 3.773 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1cc2ccccc2o1 488841827 RFSDLQUWVXATIT-OAHLLOKOSA-N 283.371 3.933 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@@H](OCC2CC2)C1 489873792 JLMKMKVVLDJAAB-OAHLLOKOSA-N 290.794 3.607 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)c1cccc(C2CC2)c1 579316902 IGUOYDMUFAYCLK-NSHDSACASA-N 296.395 3.988 30 20 CHED C[C@H]1C[C@H](C)N(Cc2ccc(C#N)cc2Br)C1 481057074 MVKQYWVRIRRESO-QWRGUYRKSA-N 293.208 3.551 30 20 CHED Cc1ccc([C@H](C)N(C)c2cc(C)nc(C#N)c2)cc1 572608074 SZSIKGLVHSQDBF-AWEZNQCLSA-N 265.360 3.768 30 20 CHED CC1(CNN=Cc2ccc(Br)o2)CCCC1 814937937 RWRGJXIBBJTEIH-UHFFFAOYSA-N 285.185 3.546 30 20 CHED C=CCC(F)(F)C(=O)OCc1cccc(C(F)(F)F)c1 815312078 KMJMXNZRTMPTHU-UHFFFAOYSA-N 294.219 3.960 30 20 CHED Cc1nc(N2CC[C@@H](c3ccccc3)[C@H](C)C2)ccc1C#N 488048718 KQHJLXNKQPNSMI-RDTXWAMCSA-N 291.398 3.892 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc(F)c(F)c1F 814945969 ZCUDNORYJYZYQF-SECBINFHSA-N 286.297 3.708 30 20 CHED Oc1cccc(C=NNc2cccc(F)c2)c1Cl 814814987 IECJMAGLSJRFHG-UHFFFAOYSA-N 264.687 3.631 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ccnn1CCC 657496916 SDQLESBDHKNADM-QGZVFWFLSA-N 283.419 3.570 30 20 CHED CC(C)[C@H]1CC(=NNc2nncc3ccccc23)CS1 814706337 XVCCRFHCCQUUEF-CQSZACIVSA-N 286.404 3.559 30 20 CHED C=C(Br)CN(CC)Cc1c(F)cccc1F 726071576 IQNQMFURSZQLTR-UHFFFAOYSA-N 290.151 3.695 30 20 CHED CCc1ccc([C@@H]2CCN(C(=O)C3(C#N)CC(C)C3)C2)cc1 570069355 WRNRXDSJUDGVOO-LTCLLZNKSA-N 296.414 3.505 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(F)c(F)c2)ccc1O 728230703 FUIMNHNWHDATMB-ZZXKWVIFSA-N 274.266 3.875 30 20 CHED Cc1ccc(C#N)c(NCC[C@@]2(C)CC2(Cl)Cl)n1 829057771 AINMBQYISYYEJZ-LBPRGKRZSA-N 284.190 3.648 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccccc1OC(C)C 490069805 ZHYMZNFQBMLYKT-UHFFFAOYSA-N 275.392 3.806 30 20 CHED C#C[C@H](OC(=O)c1cc(C)c(F)cc1F)c1ccccc1 821612640 DFPBNZWUISAHHR-INIZCTEOSA-N 286.277 3.805 30 20 CHED C=CCN(C(=O)Nc1ccc2[nH]c(C)cc2c1)C(C)C 729039566 VEQUZCVOKLHSES-UHFFFAOYSA-N 271.364 3.905 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)C1 570571086 GJVYESPBNVRXKM-OGFXQLCQSA-N 296.414 3.769 30 20 CHED C=CCCC(=O)OCC(=O)Nc1c(C)cccc1C(C)C 726650249 CNZKDSISYODSNJ-UHFFFAOYSA-N 289.375 3.566 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC1CCCCC1)C1CC1 498732599 CVGCAXKQWIZZGI-AWEZNQCLSA-N 279.424 3.539 30 20 CHED CCOc1cccc(C(=O)/C=C\c2c(C)nn(CC)c2C)c1 727975182 QXPRQOPNPFCBHW-KHPPLWFESA-N 298.386 3.815 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@@]1(C)CC1(Cl)Cl 827323893 RRMBIJQABVYKSX-CYBMUJFWSA-N 283.202 3.574 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC)[C@@H](C)Cc1ccsc1 820653849 BJSWAFXTWLRNFX-DZGCQCFKSA-N 292.448 3.513 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccc(C)c(O)c2)c1 499913353 NSKCELKRIRWLEH-UHFFFAOYSA-N 297.354 3.908 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(C)c(N2CCNC2=O)c1 494475202 LXKWYLUMMXHQPB-OCCSQVGLSA-N 287.407 3.537 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(C(F)(F)F)cn1 903014370 RCQVEDOQIAZQNF-JTQLQIEISA-N 258.287 3.717 30 20 CHED CCC/C=C/C(=O)[C@H](C#N)c1ccc2ccccc2n1 735203374 FOOWVDDYQIBVDQ-CEOUIICOSA-N 264.328 3.767 30 20 CHED COc1ccccc1[C@@H](CC(C)C)NC[C@H](C#N)CCC#N 584405403 FGBZOJLBMGZFMV-DOTOQJQBSA-N 299.418 3.816 30 20 CHED C[C@@H](Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@@H]1CCOC1 824723041 ZSHHGVCJTYGCPF-CHWSQXEVSA-N 288.391 3.572 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC[C@@H](C)c1ccccc1 494585032 IXEAQSPYHRTMLJ-GDBMZVCRSA-N 274.408 3.834 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1 733618970 FSCSXTYFXJPDLK-WOSRLPQWSA-N 270.376 3.614 30 20 CHED C=CCCNC(=O)N(Cc1ccccc1Cl)CC1CC1 661568886 AMYWDOVFDPAAGZ-UHFFFAOYSA-N 292.810 3.838 30 20 CHED Cc1ccc(CNN=C[C@@H]2CCOc3ccccc32)cc1 835009503 XMMUXBFURGBHRE-INIZCTEOSA-N 280.371 3.637 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1O 581438727 YYGZMFSWMVHJCY-JTQLQIEISA-N 299.292 3.592 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCc1ccc(C#N)cc1F 734052644 LYHOSEHKDQOVGK-LBPRGKRZSA-N 289.350 3.957 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1csc2ccccc12 732918619 QEWXTSLRKQMIHZ-CHWSQXEVSA-N 283.400 3.995 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 730892402 OBSIJHBZIDGHNH-SNVBAGLBSA-N 286.718 3.525 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(F)c(Br)c1 837444464 UCZDDTAWBTXEOT-UHFFFAOYSA-N 298.155 3.576 30 20 CHED CC#CCCCC(=O)Oc1ccc2ccccc2c1OC 833984600 OTPBPLVVXWXNER-UHFFFAOYSA-N 282.339 3.947 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1nc(C)sc1C 730148496 VIWZDROFIOFRNN-UHFFFAOYSA-N 296.399 3.566 30 20 CHED N#CCOc1ccc(CN2CCCc3sccc3C2)cc1 731213248 YVPKMQZXGUAAPV-UHFFFAOYSA-N 298.411 3.599 30 20 CHED CC(C)CO[C@@H]1CC(=NNc2ccccc2)C1(C)C 737413599 HJFSEYSHLHWRKE-OAHLLOKOSA-N 260.381 3.926 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)C1CCCC1 586819119 BEEQPVZCLNOHBP-LBPRGKRZSA-N 297.402 3.897 30 20 CHED N#Cc1ccc(CNc2cc(Cl)cc(C(=O)O)c2)cc1 739117906 JOSKQENLEDXIKX-UHFFFAOYSA-N 286.718 3.522 30 20 CHED CC[C@H](C)[C@@H](C=NNc1nc(C(F)(F)F)cs1)OC 834963642 GAYVRKSJVSMIIH-JGVFFNPUSA-N 295.330 3.621 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(OC)ccn1)c1ccccc1 676438492 YOPPARJNLFFERF-MRXNPFEDSA-N 296.370 3.528 30 20 CHED C[C@@]1(C=NNc2cc(C(F)(F)F)ccn2)CCCS1 834985357 KWEKIVMASMSBOA-NSHDSACASA-N 289.326 3.784 30 20 CHED CC[C@H](NC(=O)[C@@H](C#N)CC)c1ccc(Cl)s1 593471475 QISAWCBXCPJCRS-BDAKNGLRSA-N 270.785 3.519 30 20 CHED CC/C=C(/C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 918578285 UZMRVIOMKOUBRE-UUASQNMZSA-N 284.403 3.899 30 20 CHED COCc1ccccc1NC(=O)CC1(C#N)CCCCC1 596808967 QWEUMQCHMFNWMK-UHFFFAOYSA-N 286.375 3.636 30 20 CHED CC(C)Oc1ccccc1C=NNc1ccc(C#N)cc1 915962268 KORDPMZBHDUTBN-UHFFFAOYSA-N 279.343 3.791 30 20 CHED Cc1ccc2c(CC/N=C\c3cccc(O)c3O)c[nH]c2c1 749454111 YQLFZHKAPWWUDO-GRSHGNNSSA-N 294.354 3.549 30 20 CHED Cc1cc(C(=O)N2CCC[C@@H](CC#N)C2)c(C)cc1Cl 597903561 KFYVDVCNWPCOBU-ZDUSSCGKSA-N 290.794 3.723 30 20 CHED C=CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 741868058 BLVPBIAZNJVSCX-ZLKJLUDKSA-N 294.851 3.687 30 20 CHED CCCCC[C@@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 846764826 IVWMXAGWVAUZNI-HUUCEWRRSA-N 286.419 3.822 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@H](C#N)C1 593660852 OXVACZZQFLIQJO-HDEZJCGLSA-N 254.377 3.523 30 20 CHED C=CCC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1 598599633 CPSHLISQUPPQCG-IRXDYDNUSA-N 286.419 3.584 30 20 CHED CCC(C)(C)CC(=O)O[C@H](C)c1cccc(C#N)c1 745952949 OLIKYEGGPYAFFV-GFCCVEGCSA-N 259.349 3.989 30 20 CHED Cc1ccc(SCc2cccc(C(=O)NO)c2)c(C)c1 916666730 AHANBNJUMBXSPK-UHFFFAOYSA-N 287.384 3.715 30 20 CHED CC(C)(C)c1n[nH]cc1C=NNc1nccc2sccc12 915980680 YYKCEQUZDCOJNF-UHFFFAOYSA-N 299.403 3.763 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12 916664664 QZZFBZDBMQSINT-YFHOEESVSA-N 292.294 3.972 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1nc(C#N)ccc1C 596181984 JBUHEFLSEXKOFW-LRDDRELGSA-N 299.349 3.589 30 20 CHED C[C@H](CC/N=C/c1cccc(O)c1O)c1ccccc1 749749050 UKSRBMZOXDNYRM-RNEAKCBISA-N 269.344 3.711 30 20 CHED COc1cccc(/C=N/C[C@H](C)c2cccc(C)c2)c1O 741165940 UBKKVYPXEUGLPN-BXUJETTOSA-N 283.371 3.932 30 20 CHED CCCC[C@@H](C(=O)N(C1CC1)C1(C#N)CCC1)C(C)C 598832530 BTTHHPJKDSBESX-OAHLLOKOSA-N 276.424 3.886 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1C[C@H](C)O[C@H]1C 840871055 BICFWMYUFOHRHR-VGWMRTNUSA-N 253.430 3.915 30 20 CHED C=CCN(CC=C)C(=O)NCCCCCc1ccccc1 590172464 QEDJYKRLBLVFAP-UHFFFAOYSA-N 286.419 3.783 30 20 CHED N#CC1(CC(=O)N2CCC[C@H]3CCC[C@@H]32)CCCCC1 597298783 BMTUHZPOUAGHQL-CABCVRRESA-N 274.408 3.642 30 20 CHED N#Cc1cccc(NN=C2Cc3ccc(Cl)cc3C2)c1 743434405 WVLYNTMYZYOQLP-UHFFFAOYSA-N 281.746 3.778 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)/C=C\C3CCCC3)[nH]c12 842722226 MXHPAJRUTQQVTA-CFYYFVFUSA-N 293.370 3.794 30 20 CHED N#C[C@@H](C(=O)/C=C/C1CCCC1)c1nc(C2CC2)cs1 842941843 DFQLMKQJJIVXTF-LJLILKBBSA-N 286.400 3.943 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H]1CC12CCC2)c1ccc(F)c(F)c1 681246236 SGNWHNXXNOLOOP-WFASDCNBSA-N 291.341 3.888 30 20 CHED C#C[C@H](OC(=O)[C@H](CC)OCC)c1ccc(Cl)cc1F 842353509 NKOXYUFOJLVZTL-KBPBESRZSA-N 298.741 3.512 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)c(F)c1)C2 747440063 KBMAFVVIUSZTGZ-WUXMJOGZSA-N 286.277 3.796 30 20 CHED FC(F)COc1ccc(C=NOCc2ccccc2)cc1 741806930 TZPHWXKIJUMXAI-UHFFFAOYSA-N 291.297 3.881 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc2ccncc2c1 593136778 UXISQFFUKKXMLJ-UHFFFAOYSA-N 295.386 3.779 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1)c1cc(O)ccc1O 747692765 JUAXUUCMYRPDDU-HSFFGMMNSA-N 284.286 3.689 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC2(CSC)CC2)c1 844375941 OLVNJYSATMATSU-UHFFFAOYSA-N 287.428 3.554 30 20 CHED C#CCOc1ccc(CNC[C@@H](C)Cc2cccs2)cc1 742376023 ZENXIKCXVJEDRP-HNNXBMFYSA-N 299.439 3.729 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Oc1ccc(F)cc1Cl 744300032 PIRISQYZFGNTQA-JTQLQIEISA-N 286.730 3.756 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)C#Cc1ccccc1 747223133 YMNWTEMCGKFUCH-KRWDZBQOSA-N 291.394 3.865 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CCOC2(CCCC2)C1 846752495 BCFLYCZZQJBAPC-OAHLLOKOSA-N 270.376 3.770 30 20 CHED CC(C)[C@H](C)C(=O)OCCC1(C#N)CCCCC1 840233587 ZYMNUXWOHAHFJK-ZDUSSCGKSA-N 251.370 3.686 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=C1CCCC1 752048039 OJWAJCWVCGHNQB-ROUUACIJSA-N 294.398 3.785 30 20 CHED CC(CC(C)(C)C#N)=NNc1cccc([N+](=O)[O-])c1C 853303472 UFBAECXBERJYFY-UHFFFAOYSA-N 274.324 3.631 30 20 CHED COc1cccc(NN=C[C@@H]2CCc3ccccc32)c1 755608706 NQWDUFIKOVYKHR-AWEZNQCLSA-N 266.344 3.823 30 20 CHED CO[C@H](C)C(C)=NNc1nc2ccc(Cl)cc2s1 853438901 RZBIEWSFOCLGAR-MRVPVSSYSA-N 283.784 3.772 30 20 CHED O=C(O)c1cc(NN=C[C@@H]2CC[C@H]3C[C@H]3C2)ccc1Cl 853258142 JAYDWAWMJCKWET-OUAUKWLOSA-N 292.766 3.872 30 20 CHED CC(C)c1cccc(CSCCO[C@@H](C)C#N)c1 853773442 DKWYZAFHSJHUJV-ZDUSSCGKSA-N 263.406 3.972 30 20 CHED C=CCc1cc(OC)cc(CN2CCC[C@@H]2C2CC2)c1O 754727102 OHUJSLAHQHIHEZ-QGZVFWFLSA-N 287.403 3.504 30 20 CHED C=C[C@H](OC(=O)[C@H](C)CCCOC)c1ccccc1 851451194 FFKOHBUOOFRPKA-HIFRSBDPSA-N 262.349 3.520 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cc2cccc(Cl)c2o1 753289790 GFTKBSZGCYICJH-HNNXBMFYSA-N 290.750 3.754 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1ccc(Cl)nc1 759084690 WEJITVDOZFAAIV-BJMVGYQFSA-N 289.693 3.533 30 20 CHED Cc1cccc2c1[C@@H](NCc1cc(C#N)ccc1F)CC2 925475278 LFBGNFZTQRHKIJ-KRWDZBQOSA-N 280.346 3.783 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(C)c(F)c2)c1 920942981 JCCFCHLDCIPOII-UHFFFAOYSA-N 273.307 3.989 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(SCC)cc1 753130034 JDCHRJKYXRAOSE-JSGCOSHPSA-N 290.432 3.571 30 20 CHED C[C@@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccco1 859812444 PAHFHNDKDWHBIH-STQMWFEESA-N 283.327 3.949 30 20 CHED C=CCN(C(=O)NCCC(C)(C)c1ccccc1)C(C)C 920047280 QEBYTAIYNXSMRK-UHFFFAOYSA-N 288.435 3.960 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1nc2ccccc2n1C 920382668 KVFRVCPVSNUYDC-ZDUSSCGKSA-N 292.386 3.648 30 20 CHED CC(C)(C)c1ccc(CCC(=O)N2CCC[C@@H](C#N)C2)cc1 928230307 YUICUIGXGCWWQT-INIZCTEOSA-N 298.430 3.679 30 20 CHED CCCCCC=NNc1ccc(OC)cc1[N+](=O)[O-] 755803774 VZFRSGLOMKRIEY-UHFFFAOYSA-N 265.313 3.581 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cc(C)cc(Cl)n1 854040527 DPKHTFZZTFSTAI-UHFFFAOYSA-N 295.814 3.587 30 20 CHED CCCC[C@](C)(F)C(=O)OCC1(C#N)CCCCC1 850932456 NEUIEGLKJVEMCC-AWEZNQCLSA-N 269.360 3.922 30 20 CHED Cc1cc(NN=Cc2cc(Cl)ccc2Cl)nc(C)n1 753697569 PJFXPDFDMRSEMF-UHFFFAOYSA-N 295.173 3.846 30 20 CHED N#CC1(CCCCN2CCC[C@@H]2[C@H]2CCCOC2)CCC1 930811381 NIWPVJGGIFTKLJ-DLBZAZTESA-N 290.451 3.742 30 20 CHED C=CCN(C(=O)c1ccc(SC(F)(F)F)o1)C(C)C 865164029 UPVILZPQHJUXKR-UHFFFAOYSA-N 293.310 3.928 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 935877076 VGBZHNCCGVVEPR-NQBHXWOUSA-N 290.234 3.631 30 20 CHED C#CCCc1noc(C[C@H]2C[C@@H](C)CC(C)(C)C2)n1 762008043 XOEIQBHBCPDLDJ-CHWSQXEVSA-N 260.381 3.640 30 20 CHED COc1ccsc1/C=C1/Oc2ccc(F)cc2C1=O 764433490 SUYOFQQXQBUTHH-KPKJPENVSA-N 276.288 3.512 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2ccc(C)c(F)c2)cc1 767730599 QJQAPWCYBOBFNX-YHYXMXQVSA-N 298.313 3.817 30 20 CHED C#CCCCN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 766906633 SRVLFIUKEWLXBR-MOPGFXCFSA-N 285.431 3.768 30 20 CHED CC(=NNc1ccc(F)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1O2 863179198 QSOSICPHZOQZOG-JTNHKYCSSA-N 282.746 3.834 30 20 CHED CC(CC1CCOCC1)=NNCc1ccc(Cl)cc1 764718116 JXJBLVCWJPMPMV-UHFFFAOYSA-N 280.799 3.622 30 20 CHED CC(=NNc1ncnc2ccsc12)c1cccc(F)c1 764842189 XUXGLYQFXJUURU-UHFFFAOYSA-N 286.335 3.667 30 20 CHED Cc1ccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)cc1F 769823346 YMFRKCQSFQIFCO-UHFFFAOYSA-N 291.257 3.627 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1nc2c(s1)CCCC2 761251390 CQYPQABAWHDVQH-UHFFFAOYSA-N 296.399 3.730 30 20 CHED C=CCCCOC(=O)CSc1nccc2ccccc12 767421442 OZXLFPIDROSDNZ-UHFFFAOYSA-N 287.384 3.836 30 20 CHED C#C[C@@H](OC(=O)C=C1CCSCC1)c1ccc(C)cc1 860964699 WOIXIPXQQCNGGY-MRXNPFEDSA-N 286.396 3.666 30 20 CHED CC[C@@H](C(=O)OCc1ccccc1C#N)c1ccccc1 765978524 NWVGSIZIPJIVIN-QGZVFWFLSA-N 279.339 3.795 30 20 CHED C#CCCc1noc([C@@H](Cc2ccccc2)C(C)C)n1 762013949 NJVKKJALYNTPGY-HNNXBMFYSA-N 268.360 3.618 30 20 CHED CC(C)c1cccc2c1OCCCC2=NNc1cnn(C)c1 761860957 PPYCLQJTOPSKFW-UHFFFAOYSA-N 298.390 3.532 30 20 CHED C=CCOc1ccc(OC(=O)C2Cc3ccccc3C2)cc1 761976091 LGAIHOAHVNMPFW-UHFFFAOYSA-N 294.350 3.572 30 20 CHED O=C(/C=C\c1cccc(-n2cccn2)c1)c1ccccc1 760265488 SLHHQKLXXAXCFE-KHPPLWFESA-N 274.323 3.768 30 20 CHED N#Cc1ccccc1CSCc1ccc(F)cn1 1116837675 KTTUEBCRHKKXCL-UHFFFAOYSA-N 258.321 3.526 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 767253599 CNDLMDKLOZZJGB-ZJUUUORDSA-N 284.186 3.577 30 20 CHED C[C@H](OC(=O)[C@@H](C)C(C)(C)C)c1cccc(C#N)c1 764611504 CJKJFJOTBBHMAJ-NEPJUHHUSA-N 259.349 3.845 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H](C)CC1CCCC1 767152857 WZZOJOKAIGBMLA-GFCCVEGCSA-N 289.341 3.617 30 20 CHED CCSc1cccc(C=NOCC(F)(F)F)c1 769794363 VXIYMWGVRCSWKH-UHFFFAOYSA-N 263.284 3.711 30 20 CHED C#CCCCNc1ccc2nc(C3CC3)sc2c1 766724684 JSZFYAJDIXSBAR-UHFFFAOYSA-N 256.374 3.999 30 20 CHED CC#CCCOC(=O)c1sc(-c2ccccc2)nc1C 760288184 ZPZHNINJRISLPZ-UHFFFAOYSA-N 285.368 3.689 30 20 CHED CCc1ccc(N)c(C(=O)OCCCCC(C)(C)C#N)c1 768693991 XQSPMVGQSBIVDL-UHFFFAOYSA-N 288.391 3.708 30 20 CHED O=C1C/C(=C/c2cc(F)ccc2F)C(=O)c2ccccc2N1 774141786 NDKAAUSTURMVCW-XFFZJAGNSA-N 299.276 3.573 30 20 CHED CCCCCCCCCCNC(=O)N[C@H]1CCCOCC1 776328394 ODMUGVQKNXVYGE-INIZCTEOSA-N 298.471 3.995 30 20 CHED CC[C@H](CC(=O)OCc1ccc(CC#N)cc1)C(C)C 776115511 YFULZWHOHPYEIB-MRXNPFEDSA-N 273.376 3.868 30 20 CHED Cc1ccc([C@H](C)NC(=O)Cc2ccccc2CC#N)s1 776842322 XGKZNIBPDVHNDZ-ZDUSSCGKSA-N 298.411 3.543 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(C(=O)CC)c1 879220564 SEJQSXMAYVZVGK-UHFFFAOYSA-N 259.349 3.820 30 20 CHED C#CCCCCCC(=O)N[C@H](c1ccccc1)C1CC1 779762223 XAGUCMHYHUMJCU-GOSISDBHSA-N 269.388 3.838 30 20 CHED C=C(C)CNC(=O)c1ccc(-c2cccs2)s1 1116699215 KRRHXEJNCGSXTO-UHFFFAOYSA-N 263.387 3.783 30 20 CHED Cc1c(C#N)cccc1NC(=O)C=C1CCCCC1 770334549 SYIQLHNOOCRGRF-UHFFFAOYSA-N 254.333 3.696 30 20 CHED C#CCCCCC(=O)O[C@@H](C)CCc1ccccc1 773648346 NNQHPJSXGDCVGF-HNNXBMFYSA-N 258.361 3.745 30 20 CHED C=CCCCCNC(=O)/C=C(/C)c1ccccc1OC 770082132 KNFCXXBSVVMKSE-YPKPFQOOSA-N 273.376 3.571 30 20 CHED CCON=CCCOc1ccc(Cl)c(Cl)c1 777432001 FVJGVMJMKKZNJS-UHFFFAOYSA-N 262.136 3.785 30 20 CHED C=CCN(C(=O)/C=C(\C)c1ccccc1Cl)C1CC1 771819584 UIALFKGXZOFXQC-VAWYXSNFSA-N 275.779 3.920 30 20 CHED C#CCCCCCC(=O)N(CC)c1ccc(F)cc1 779746293 YACQHHDADWXEPG-UHFFFAOYSA-N 261.340 3.762 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 888360803 QQYOACKUROHNKV-GFCCVEGCSA-N 289.354 3.741 30 20 CHED Cc1ccc(COC(=O)c2cc(C#N)ccc2C)c(C)c1 1128097540 RYTJMIRRWREZML-UHFFFAOYSA-N 279.339 3.841 30 20 CHED C[C@H](NCCCCC#N)c1cccc(C(F)(F)F)c1O 788587518 JFEOVBUKFTXHQS-JTQLQIEISA-N 286.297 3.755 30 20 CHED C#CCC(C)(C)C(=O)OCc1c(C)cc(C)cc1F 785921546 PXGSLRYFDZXIEV-UHFFFAOYSA-N 262.324 3.535 30 20 CHED C=C(CC)CNc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882432013 LMWBRAHVPHFKSL-LJQANCHMSA-N 292.326 3.990 30 20 CHED C=C1CCC(C(=O)OCc2ccc(Cl)cn2)CC1 885649733 IPEZEKUTJUEQPL-UHFFFAOYSA-N 265.740 3.525 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1scnc1C1CC1 782285459 APZLIZIRSAFPNQ-CYBMUJFWSA-N 277.437 3.913 30 20 CHED c1cnc(NN=C2CCC3(CCCCC3)CC2)cn1 786039807 XTHMYDQJLCAEBH-UHFFFAOYSA-N 258.369 3.769 30 20 CHED CC(=NNc1nc(C)cc(C)n1)C1CCC(F)(F)CC1 788693281 JHSBDZJGKIJCKX-UHFFFAOYSA-N 282.338 3.707 30 20 CHED CCSc1cc(C(=O)OCCCC(C)(C)C#N)ccn1 783109580 BTTVGYVIKRLTJE-UHFFFAOYSA-N 292.404 3.680 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(Cl)ccc1O 785617307 KXTKZJYBMJJVJP-MRXNPFEDSA-N 298.773 3.694 30 20 CHED CCOc1ccccc1C=NOCc1ccc(C#N)c(C)c1 783007952 PHJTYPYUPWCUQZ-UHFFFAOYSA-N 294.354 3.816 30 20 CHED COc1ccc(NN=C2CC[C@H]3CCCC[C@H]3C2)nc1 780271839 YHEHSZKMJFXFNZ-OLZOCXBDSA-N 273.380 3.848 30 20 CHED CC[C@H](CC#N)NCc1c(C)nn(-c2ccccc2C)c1C 894469085 KCWUIWFMIZGUFI-MRXNPFEDSA-N 296.418 3.579 30 20 CHED CC[C@@H]1CCC[C@H](C=NNC(=S)Nc2ccccn2)C1 783857082 RVGSLTJQDFGASB-OLZOCXBDSA-N 290.436 3.570 30 20 CHED CC(C)(C)C1CCC(C=NOC[C@@H]2CCOC2)CC1 788030365 NDPYBWFKZQVYPX-SHARSMKWSA-N 267.413 3.878 30 20 CHED C=CCCCCCOC(=O)[C@H](OC)c1ccccc1 783013998 JEXOGYUXQASBGE-OAHLLOKOSA-N 262.349 3.664 30 20 CHED C#CCCCNc1cnc2cc(Cl)c(Cl)cc2n1 782337686 SHSKAVLZHOHVSJ-UHFFFAOYSA-N 280.158 3.762 30 20 CHED CC[C@@H]1c2ccccc2CN1c1cc(C)ncc1C#N 897354823 UVCAMWIMUGQPKA-MRXNPFEDSA-N 263.344 3.733 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cnc(C2CC2)s1 782287266 LRCPGEZYGMOLNT-GFCCVEGCSA-N 263.410 3.523 30 20 CHED C=CCCCCCOC(=O)c1c(C)noc1C(F)(F)F 784022773 WMZAPSBBTNMFQY-UHFFFAOYSA-N 291.269 3.905 30 20 CHED C=C1CC(c2noc(CCc3cccc(OCC)c3)n2)C1 896875981 RLCILZNSQBJSJO-UHFFFAOYSA-N 284.359 3.687 30 20 CHED C=CC1(OC(=O)Cc2nc(-c3ccsc3)oc2C)CC1 893364849 CLKDKONWQOHSRO-UHFFFAOYSA-N 289.356 3.516 30 20 CHED CC(C)(C)c1ccc(NC(=O)CSCCC#N)cc1 82692959 GXKCTECHWYCFBW-UHFFFAOYSA-N 276.405 3.569 30 20 CHED N#Cc1cc(Cl)ccc1N1CCc2cc(F)ccc2C1 301936348 SHHCTXDABAAUQE-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cn(CC)nc2C)cc1 899340847 NKHHWCJYPMNGJA-DHZHZOJOSA-N 284.359 3.506 30 20 CHED CC(CN1Cc2ccccc2C1)=NNc1cccc(C)c1 792632161 UIAWFORSCKEJPL-UHFFFAOYSA-N 279.387 3.799 30 20 CHED COC(=O)c1occc1/C=C/C(=O)c1cc(C)c(C)cc1C 797108878 DTTKBOZXACOKKQ-AATRIKPKSA-N 298.338 3.888 30 20 CHED CC1(C)CCCN(C(=O)[C@@H](F)CC2CCCCC2)[C@@H]1C#N 793967909 GVAOEVKHNBXJKU-LSDHHAIUSA-N 294.414 3.836 30 20 CHED Cc1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1C#N 799305534 XPTQMIPFUDTDFD-UHFFFAOYSA-N 282.387 3.804 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](O)[C@@H](C)C1 186619891 RUSIKLQVHBSNMA-JKSUJKDBSA-N 283.456 3.747 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1CCCCC 791066631 DPDOMAHDEMMIOE-LSDHHAIUSA-N 264.413 3.543 30 20 CHED C#C[C@@H](NC(=O)N(CC)Cc1ccc(Cl)cc1)C(C)C 798555996 YYLNEJOPESQESI-OAHLLOKOSA-N 292.810 3.529 30 20 CHED CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC[C@H](C)C#N 799483083 JXLQHRJBISYLBS-CYBMUJFWSA-N 296.418 3.961 30 20 CHED COc1ccsc1/C=C/C(=O)c1cc(C)c(C)o1 799897260 NMOAPEYIWIEDRE-SNAWJCMRSA-N 262.330 3.863 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2C[C@H](c3ccccc3F)C2)c1 797785255 YBBNQOCKKRSKNZ-NYKQYDFLSA-N 299.345 3.905 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)N(C)C(C)(C)CC 798431664 AEXAHPWDQXFPNY-UHFFFAOYSA-N 290.382 3.501 30 20 CHED C[C@@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 78833643 UHVOQTMMWWPRFK-KOLCDFICSA-N 283.297 3.963 30 20 CHED C/C=C/c1ccc(OC(=O)c2cc(C#N)oc2C)c(OC)c1 797941385 QEOZKAHYYZLCDY-SNAWJCMRSA-N 297.310 3.721 30 20 CHED Cc1c(Cl)c(CN2CC(C)(C#N)C2)nc2ccccc12 568832648 WPQVNYXZYOPDTA-UHFFFAOYSA-N 285.778 3.542 30 20 CHED CSc1cc(NC(=O)c2cc(C#N)c[nH]2)ccc1Cl 1142246762 WVOLNRDIQDMDNQ-UHFFFAOYSA-N 291.763 3.514 30 20 CHED N#Cc1csc(CNc2ccc(OC(F)F)c(F)c2)c1 93687318 FOCTURWPLLTSIP-UHFFFAOYSA-N 298.289 3.972 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc2c(c1)CCC2 1319471837 KMJCKTGUKCVNNH-VURMDHGXSA-N 252.313 3.973 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccc(CF)cc1)CC2 1319986096 RAURSXXCGUSOTF-UHFFFAOYSA-N 266.319 3.590 30 20 CHED Cn1cc(-c2ccc(C=NN[C@H]3CCCC3(C)C)cc2)cn1 1325012792 UYHORNWXPDOHGN-KRWDZBQOSA-N 296.418 3.589 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccn(C2CCCCC2)n1 1322079017 BVZLUXIIMRWLQO-UHFFFAOYSA-N 290.411 3.818 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1c(C)noc1Cl 1339280306 HQBQHGDQPUTAIG-GFCCVEGCSA-N 296.798 3.526 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N(C)c1cccc(C#N)c1 1264782241 GMCGJAKWTHAYPQ-AWEZNQCLSA-N 278.355 3.633 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(SC(C)C)cc1 1340894379 RCCNTKRSJMBQKQ-AWEZNQCLSA-N 290.432 3.951 30 20 CHED N#Cc1ccnc(/C=C/c2ccc(Br)cc2)c1 1344337044 JVLMBIXJNYUXCO-ZZXKWVIFSA-N 285.144 3.886 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(-c2cn[nH]c2)cc1 1346066595 WGCDOWYFLRPIPC-UHFFFAOYSA-N 297.402 3.895 30 20 CHED N#CC1(C(=O)Nc2cc(F)ccc2Cl)CCCCC1 102740530 AOQHWRLUEKYFQX-UHFFFAOYSA-N 280.730 3.892 30 20 CHED Cc1ccc(CC2CCN(c3cc(C#N)ccn3)CC2)cc1 1341820735 RPNDGZNJVHBVFF-UHFFFAOYSA-N 291.398 3.721 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)[C@@H](CC#N)c2ccccc2)C1 1352586358 JWPZWRLAEBXAFC-BMFZPTHFSA-N 271.360 3.806 30 20 CHED C=C(C)CCC(=O)NCc1nc2cc(Cl)ccc2s1 1354053625 WUDBEIXIZIRQGV-UHFFFAOYSA-N 294.807 3.922 30 20 CHED CC(C)c1ccc(CCNC(=O)c2csc(C#N)c2)cc1 1352278769 QPWFLFUHZCCUCN-UHFFFAOYSA-N 298.411 3.716 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c2ccccc12 1357676411 JWBLTCWKMSGGDH-UONOGXRCSA-N 279.339 3.997 30 20 CHED C=C(CC)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 1351501346 MQCQYGYEODLDAQ-BXUZGUMPSA-N 261.365 3.854 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1sccc1C#N 1528587304 ROQUUKXBTBMABY-TZMCWYRMSA-N 290.432 3.956 30 20 CHED CCC[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1C 1526817238 AGCBDRUEHFIFNW-AWEZNQCLSA-N 271.364 3.663 30 20 CHED CCOc1cccc(CCC(=O)Nc2ccccc2C#N)c1 1523590921 BLJBLLUTGVHVGU-UHFFFAOYSA-N 294.354 3.528 30 20 CHED Cc1ccc(SCCN2CCC[C@@H](C#N)C2)cc1C 1460749230 IGKVELDXYLREHJ-HNNXBMFYSA-N 274.433 3.631 30 20 CHED O=C(O)c1ccc(NN=C[C@@H]2CCCSC2)cc1Cl 1602382689 WKEXEQUQPHYGRY-VIFPVBQESA-N 298.795 3.579 30 20 CHED N#CCc1cccc(NC(=O)CCCc2ccc(F)cc2)c1 1460142617 MZLNCTBCCWNTLR-UHFFFAOYSA-N 296.345 3.853 30 20 CHED CCCOC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1462934336 HUQDIGMIZOHQCK-UHFFFAOYSA-N 274.364 3.563 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc(F)cc(C#N)c1 1467153834 ZXWDULUNPWRXSG-MNOVXSKESA-N 277.343 3.644 30 20 CHED N#Cc1c(CNc2ccc(Cl)cc2)cccc1C(=O)O 1608190468 GHOZUKHCWPFGDA-UHFFFAOYSA-N 286.718 3.522 30 20 CHED COc1ccc(CSc2cccnc2C#N)cc1Cl 1613785876 SRMPUVSVPCVHEO-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C[C@@H](Sc1cccc(F)c1C#N)c1ccncc1 1473037751 ISTPZIOQBQKPKJ-SNVBAGLBSA-N 258.321 3.946 30 20 CHED COc1ncccc1CSc1ccc(Cl)cc1C#N 1472996972 BKKVMAYMFDJBGK-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=C(Br)CN(c1ccccc1OC)C(C)C 1473518236 DNPYLOHVOVKSFT-UHFFFAOYSA-N 284.197 3.819 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1C#N 1624564173 HKFFVDSGJMOQEJ-GBIKHYSHSA-N 291.420 3.874 30 20 CHED COc1ccc(NC(=O)C[C@H]2CCCC[C@H]2C)cc1C#N 1624700293 SSIXRVKASBWDPY-CHWSQXEVSA-N 286.375 3.722 30 20 CHED C#CCCCCC(=O)Nc1cc(F)cc(Cl)c1 120015884 LEYSYYPXZICFKQ-UHFFFAOYSA-N 253.704 3.611 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1 5128795 FNZJTTXNRFTDIQ-LFYBBSHMSA-N 295.338 3.550 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCCO2 5129750 FNBBQNVPMIUHJY-SOFGYWHQSA-N 280.323 3.662 30 20 CHED Cc1nsc(NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C#N 1642641723 XLOKIDFNJVTTMA-SCVCMEIPSA-N 263.410 3.807 30 20 CHED C=C(Br)CNC1(C2CCCCC2)CC1 1655043211 USPQMIHFHNBDSI-UHFFFAOYSA-N 258.203 3.598 30 20 CHED CC[C@H](NCc1cccc(C#N)c1F)c1cccs1 230624767 UMVHIXTWVUQLIZ-ZDUSSCGKSA-N 274.364 4.000 30 20 CHED Cc1ccc2c(c1)CN(Cc1cc(C#N)ccn1)C(C)(C)C2 1653697148 GZYMFKIIEDRMEW-UHFFFAOYSA-N 291.398 3.599 30 20 CHED C=CCC[C@@H](CCC)NCc1cc(C)c(C(=O)O)o1 1588777771 JQNLMUPSRWPLLA-GFCCVEGCSA-N 265.353 3.511 30 20 CHED CCCC1(CNC(=O)Nc2ccc(C#N)c(F)c2)CCC1 1670704442 HDABLWWMTBTDCV-UHFFFAOYSA-N 289.354 3.789 30 20 CHED N#Cc1ccc(NC(=O)NCc2ccccc2Cl)cc1 6473751 UHJFUQPPVBMNDF-UHFFFAOYSA-N 285.734 3.533 30 20 CHED C=CC[C@H](CC(C)C)C(=O)Nc1cccc(F)c1C(=O)O 1776151953 LHRZKMQEQMOFFB-LLVKDONJSA-N 293.338 3.701 30 20 CHED CCC(=NN1CCCC[C@H]1C)c1cc(C(=O)O)ccc1F 1776091397 KGVVAAKIRMVWOD-LLVKDONJSA-N 292.354 3.512 30 20 CHED C[C@@H]1CCC(F)(F)CCC1=NNc1ccc(C(=O)O)cc1 1776014125 HWYDFLMUQSKKQM-SNVBAGLBSA-N 296.317 3.998 30 20 CHED C=CCN(C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 161464956 OWKGFTPBSBRLBS-NEPJUHHUSA-N 284.186 3.741 30 20 CHED CCCC[C@@H](NC(=O)CCc1ccc(C#N)cc1)C1CCC1 158503869 FIQTUCZDRKOFRV-GOSISDBHSA-N 298.430 3.966 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)c2ccc(F)cc2)CC1 153029008 FYRJERMGRKTSNL-GOSISDBHSA-N 290.426 3.907 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCCC1)C(C)(C)c1ccccc1 156127687 NYWCMKUIJPBWKL-OAHLLOKOSA-N 298.430 3.943 30 20 CHED N#Cc1cc(NCC2(c3ccccc3)CC2)ccc1[N+](=O)[O-] 157616229 UZYOKGIFZZCPKX-UHFFFAOYSA-N 293.326 3.610 30 20 CHED O=C(/C=C/c1ccccc1Br)c1cccnc1 6338809 VLVUTXPJSIVXJA-BQYQJAHWSA-N 288.144 3.740 30 20 CHED C[C@H](Cc1ccccc1Cl)C(=O)N[C@H](C#N)C(C)(C)C 157740904 KWMSWNDQAVWHPJ-BXUZGUMPSA-N 292.810 3.573 30 20 CHED N#Cc1cccc(OCCOc2ccccc2Cl)c1 11830395 ZVARGUKIAKOQBR-UHFFFAOYSA-N 273.719 3.669 30 20 CHED CS[C@H]1CCC[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C1 235228907 COKCTYVZFIEEBD-AAEUAGOBSA-N 291.376 3.553 30 20 CHED Cc1ccc([C@@H](C)Nc2nnc(C)c(C)c2C#N)s1 48738786 MMNZMJDJGCTFJI-LLVKDONJSA-N 272.377 3.508 30 20 CHED CC[C@@](C)(C#N)C(=O)N(Cc1ccccc1)CC1CCC1 288413919 RKBBALKDQZSIHT-SFHVURJKSA-N 284.403 3.755 30 20 CHED N#Cc1ccnc(NCc2ccccc2C(F)(F)F)c1 61627117 HEIBKIISDMAHPN-UHFFFAOYSA-N 277.249 3.584 30 20 CHED N#Cc1ccc(N2CCc3cc(F)ccc3C2)cc1Cl 301937254 SYIBIORKQWSTAT-UHFFFAOYSA-N 286.737 3.913 30 20 CHED N#CCc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 313450906 RGGAJGCCFJKGLU-UHFFFAOYSA-N 284.746 3.587 30 20 CHED N#Cc1ccc(N=C(O)[C@@H]2CCCOCC2)c(Cl)c1 330119710 FZYRDKXUUAMVKY-LLVKDONJSA-N 278.739 3.616 30 20 CHED N#Cc1cc(N2CCC[C@H](F)C2)ccc1C(F)(F)F 357678841 GBQOKJVQYAVEEE-JTQLQIEISA-N 272.245 3.515 30 20 CHED COCC#CCN(Cc1ccccc1)[C@@H](C)c1cccs1 677818399 LSXAVNNCJNGQRS-INIZCTEOSA-N 299.439 3.961 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](O)CC(C)(C)C1 395326202 PDNGBGDFPIIEEO-OAHLLOKOSA-N 283.456 3.747 30 20 CHED N#Cc1csc(CNc2cncc3ccccc23)c1 396508224 CZLOOWHAXBEXEK-UHFFFAOYSA-N 265.341 3.780 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CC23CCCCC3)cc1 531907715 RUEUIQBFZUNFDG-HNNXBMFYSA-N 268.360 3.662 30 20 CHED CC(C)COc1ccccc1C(=O)Nc1cccc(C#N)c1 8073689 DGIMHVFUSVZLSW-UHFFFAOYSA-N 294.354 3.845 30 20 CHED C=CCCC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 102726700 WAYZXAZBVAEHGF-UHFFFAOYSA-N 285.347 3.765 30 20 CHED N#CCCCOc1cccc(NC(=O)C2CCCCC2)c1 55568407 SFOBURZTUCOIOP-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CC[C@H](CC(C)C)C(=O)N1CCc2cc(C#N)ccc21 416019704 YREJHVXVVWVSSP-CQSZACIVSA-N 270.376 3.520 30 20 CHED C[C@@H](CC(=O)Nc1ccccc1C#N)c1ccccc1F 102831074 NFIITJYFZIAFAG-LBPRGKRZSA-N 282.318 3.830 30 20 CHED CCCC(=O)Nc1ccccc1SC[C@@H](C)C#N 108241555 UEXWCFDYWDCRRV-NSHDSACASA-N 262.378 3.677 30 20 CHED CCC(CC)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 175023796 OVRJVXYMLKPBRF-UHFFFAOYSA-N 297.320 3.609 30 20 CHED CN(CCc1ccccc1F)Cc1cc(C#N)ccc1F 109336053 MXJVAHCIFVSOFL-UHFFFAOYSA-N 286.325 3.511 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(-c2cccc(Cl)c2)on1 116856087 KSAJDNFXGPFYCL-JTQLQIEISA-N 290.750 3.689 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H](c1ccccc1)C(C)C 116858737 NWRQJNOVAQUREU-HOCLYGCPSA-N 259.393 3.897 30 20 CHED CCC1CCC(N(C(=O)c2ccc(C#N)cn2)C2CC2)CC1 170959292 CDJSSPNOPIAKPC-UHFFFAOYSA-N 297.402 3.527 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 110370054 LVBAXQDOGRKQAO-CQSZACIVSA-N 257.377 3.605 30 20 CHED N#Cc1cccc(C#N)c1NC[C@@H]1CCc2ccccc21 302887231 NQWYKUGBSOJGJO-INIZCTEOSA-N 273.339 3.572 30 20 CHED N#Cc1ccc(C(=O)N(CC2CC2)C2CCCCC2)cc1 68013899 OYPNHRKWVSULSN-UHFFFAOYSA-N 282.387 3.743 30 20 CHED N#Cc1cc(N[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] 302859398 ODFXBAIAOYDCOF-LSDHHAIUSA-N 297.289 3.574 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)[C@H](C)CC)c1ccccc1 179107420 QCAZFFXXQRDQTJ-QLFBSQMISA-N 259.393 3.897 30 20 CHED C=CCC[C@H](NCCc1ccccc1OC)C1CC1 119839032 CCPJGWXSBAOCJI-INIZCTEOSA-N 259.393 3.572 30 20 CHED C=CCC[C@@H](NCCc1ccc(OC)c(OC)c1)C1CC1 119774867 NCJJHUVROKAYHV-MRXNPFEDSA-N 289.419 3.581 30 20 CHED CC(C)(CC(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 176642903 XUZWBAZWOBSYFT-KRWDZBQOSA-N 298.430 3.943 30 20 CHED N#C[C@@H](NC(=O)c1coc2ccccc12)c1ccccc1F 113169480 BYQXLPVDXMSZBV-OAHLLOKOSA-N 294.285 3.567 30 20 CHED N#Cc1ccc(CC(=O)N(CC2CC2)c2ccccc2)cc1 175380744 QQTMJJFISCDBRT-UHFFFAOYSA-N 290.366 3.544 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(C)cc2)no1 172057061 WGPRCWPEGWHQKR-LBPRGKRZSA-N 258.321 3.699 30 20 CHED C[C@H](Cc1ccco1)Nc1ccc(C#N)c(Cl)c1 61846172 OQMOFGRQJQCZDG-SNVBAGLBSA-N 260.724 3.848 30 20 CHED C[C@H](C(=O)OCC1(CC#N)CC1)c1ccc(Cl)s1 175183666 QXTDVQPXWNAHOY-VIFPVBQESA-N 283.780 3.742 30 20 CHED C[C@H](CC(=O)OCC1(CC#N)CC1)c1ccccc1F 174747646 KRAGUCUMUQBYTF-GFCCVEGCSA-N 275.323 3.556 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1ccc(CC#N)cc1 67794490 MNTRXVKAXCXTPL-ZDUSSCGKSA-N 258.365 3.763 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccnc2ccccc12 126179191 LLTAGIBTMVZDEB-UHFFFAOYSA-N 295.386 3.827 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 185623170 LBQIEWQIWNYTPF-DZGCQCFKSA-N 287.378 3.580 30 20 CHED CCN(Cc1ccc2nc(C)ccc2c1)C[C@H](C)C#N 189743873 MJFFFUDPTUWQFM-CYBMUJFWSA-N 267.376 3.525 30 20 CHED C=C(Cl)C[S@](=O)Cc1cccc2ccccc12 78298717 TWYIBSGXIUIBJO-QGZVFWFLSA-N 264.777 3.841 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](C)c1cccc(Cl)c1 123220799 APGNHVFLTBQOKQ-IUODEOHRSA-N 267.800 3.660 30 20 CHED C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)[C@@H]1c1ccccc1 78573332 KSIPMBOFFDZCJO-PXAZEXFGSA-N 293.326 3.664 30 20 CHED CCCCCCCN1CCN(CC(F)(F)F)[C@H](C)C1 127869036 UAUFFPGYGPJULX-CYBMUJFWSA-N 280.378 3.525 30 20 CHED C=C(C)CCc1noc([C@H](C)Oc2ccc(F)c(F)c2)n1 508625591 OFTUKHYHGDNUGV-JTQLQIEISA-N 294.301 3.997 30 20 CHED C[C@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1cccc(C#N)c1 74917604 ZYXJJXMRYZBTDU-STQMWFEESA-N 297.402 3.592 30 20 CHED N#CC1(COC(=O)CCc2c[nH]c3ccccc23)CCCC1 183877260 MFIJRTZRGAWXAU-UHFFFAOYSA-N 296.370 3.728 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1cc(Cl)cn1C 120106007 REPAGTRAIPFMHM-GFCCVEGCSA-N 287.794 3.743 30 20 CHED N#Cc1ccc(SCc2c(F)cccc2[N+](=O)[O-])cc1 504530581 WUFDOAYABAMULH-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccc(F)cc1)C1CCC1 127140428 SVOFUFKORUHQKZ-IRXDYDNUSA-N 277.383 3.584 30 20 CHED CCCC[C@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C 185900818 RJJMPZPHUMRPKY-KKUMJFAQSA-N 294.439 3.559 30 20 CHED CC(C)c1cccc(CNc2ncc(C#N)cc2F)c1 413240514 XFIBQLYLFZXDJI-UHFFFAOYSA-N 269.323 3.828 30 20 CHED CC[C@H](C#N)Sc1nccn1-c1cccc(C)c1C 127248275 ZLXQTMFBCPVHGJ-CYBMUJFWSA-N 271.389 3.883 30 20 CHED CCc1ccccc1OCCC(=O)Nc1cccc(C#N)c1 314219378 AQPYFQQNCSVINR-UHFFFAOYSA-N 294.354 3.528 30 20 CHED CC#CCCCC(=O)OCc1nc2ccccc2s1 184926923 NWXGORLFTXZQQX-UHFFFAOYSA-N 273.357 3.533 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H]2CC=CCC2)c1 77442284 FXSURIGFXGCGNR-CQSZACIVSA-N 286.375 3.872 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2ccccc2C#N)C1 507198363 VYDRQIBCPNHDMZ-GOSISDBHSA-N 276.383 3.856 30 20 CHED C=CCn1c(C)nnc1SCc1cccc(CC)c1 188770266 QFJXXRNGOCBCHL-UHFFFAOYSA-N 273.405 3.627 30 20 CHED C[C@@H](CCc1ccc(O)cc1)Nc1ccc(OCC#N)cc1 314123880 MEMPUBRCVOYNHC-AWEZNQCLSA-N 296.370 3.728 30 20 CHED CC(C)(C)[C@H](NCC#N)c1cccc(C(F)(F)F)c1 181965457 RTYGEXBGZUMZTP-GFCCVEGCSA-N 270.298 3.906 30 20 CHED C[C@@H]1CN([C@@H](C)CCC#N)CC[C@@H]1c1ccccc1 411308269 ICRHIGMWIHHLGB-VYDXJSESSA-N 256.393 3.804 30 20 CHED CC(C)c1cccc(NCc2cccc(C#N)n2)c1 602482362 APPDPLYDBNRGEQ-UHFFFAOYSA-N 251.333 3.689 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 133209894 STJWEGHZLCFJBB-GJZGRUSLSA-N 292.382 3.848 30 20 CHED OC1=NCCCC[C@H]1/N=C(/O)C(C1CCC1)C1CCC1 329027694 WBJBZOSNPIOVLM-CYBMUJFWSA-N 278.396 3.668 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CCCN(Cc2ccccc2)C1 130550564 MUVHOMYAXXTBRH-SJLPKXTDSA-N 272.436 3.595 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1 44539157 PRADQABBHCKVTQ-INIZCTEOSA-N 296.395 3.791 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2/N=C(/O)C1(C)COC1 329462541 QELJJCUBQAOYGK-GFCCVEGCSA-N 277.364 3.595 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1ccc2ccccc2c1 505459859 JEGSRSCEZYGSIG-UHFFFAOYSA-N 296.414 3.990 30 20 CHED N#Cc1ccc(/C=C/c2cc(Cl)c3c(c2)OCCO3)nc1 193447546 FBBHCRTTWOKMBR-HNQUOIGGSA-N 298.729 3.548 30 20 CHED CC1(C)CCC[C@@H](C(=O)NCC#Cc2cccc(F)c2)C1 513202401 QYUJLEJYFIRSGD-OAHLLOKOSA-N 287.378 3.510 30 20 CHED C=CCC1(C(=O)NCCOC2CCCCCC2)CCC1 191908124 AMCMSFUGHWEBGL-UHFFFAOYSA-N 279.424 3.588 30 20 CHED O/C(=N/[C@@H]1CSc2ccccc21)[C@@H]1CCCc2n[nH]cc21 329816427 VXLJBSUJVRZEPJ-QMTHXVAHSA-N 299.399 3.633 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 192999900 ZDZKXZNRJGUREI-IAQYHMDHSA-N 260.337 3.526 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(CCC)cc1 194391106 PZKFGXBCINWIBC-CYBMUJFWSA-N 261.365 3.559 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@@H](c2ccncc2)C1 515666904 AFVIHPZFNVADSJ-OAHLLOKOSA-N 297.789 3.596 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)Nc1sccc1C#N 195001315 ZJCOMCJSINDUPC-SNVBAGLBSA-N 288.347 3.576 30 20 CHED Cn1ccc2cccc(NC(=O)C3(C#N)CCCCC3)c21 191601446 KFVCLFBMGSHCOW-UHFFFAOYSA-N 281.359 3.591 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)s1 42211273 JZBQLHSKFRZMCW-UHFFFAOYSA-N 276.792 3.905 30 20 CHED Cc1nc(C(C)C)oc1CN(C)Cc1ccc(C#N)cc1 428455550 JNJURBYTHGPSAR-UHFFFAOYSA-N 283.375 3.610 30 20 CHED C=CCCCCCSCC(=O)NC1CCCC1 192549261 BONSMVNGSZATMQ-UHFFFAOYSA-N 255.427 3.525 30 20 CHED Cc1cncc(C/N=C(/O)c2csc(C(C)(C)C)n2)c1 330502329 BLDORUWRXXZUAB-UHFFFAOYSA-N 289.404 3.649 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(O)c(F)c2)c1F 195502926 BJUBBJLVPHZIMX-FNORWQNLSA-N 290.265 3.575 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 191948955 WDGHNGKULPMJSR-HNNXBMFYSA-N 275.779 3.807 30 20 CHED CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 336466053 JTLKBABJVNYEEM-BBRMVZONSA-N 284.403 3.748 30 20 CHED C=CCC1(c2nc(-c3cccc(SC)n3)no2)CCC1 420531344 RTNIOYWCSCENGG-UHFFFAOYSA-N 287.388 3.851 30 20 CHED CCN(CCCCC#N)c1cccc(Br)c1 338729894 MEHLEDLDIJDQSO-UHFFFAOYSA-N 281.197 3.969 30 20 CHED C=CCn1c(C)nnc1SC[C@@H]1CCC[C@H](C)C1 92199056 MXWWDHAPYKCHTD-WCQYABFASA-N 265.426 3.691 30 20 CHED COc1ccc(Sc2snc(Cl)c2C#N)cc1 92583109 NIXWERQZHJACBL-UHFFFAOYSA-N 282.777 3.828 30 20 CHED N#CCc1ccc(NC(=O)N[C@@H]2CC=CCC2)c(Cl)c1 335583592 JXRFZUSEDHPOEU-GFCCVEGCSA-N 289.766 3.636 30 20 CHED CC[C@H]1C[C@]1(NC(=O)c1ccc(C#N)o1)c1cccc(C)c1 512925891 PREATMVRKLKGRZ-SCLBCKFNSA-N 294.354 3.515 30 20 CHED C=C(Br)CNC(C)(C)c1cccc(F)c1 179574042 VVVZYKVDHLEQQV-UHFFFAOYSA-N 272.161 3.559 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H]1c1ccccn1 530723528 GZZGYVUONHUCGA-HNNXBMFYSA-N 257.381 3.548 30 20 CHED C=C(CNC(=O)NC1(C)CCCCC1)c1ccccc1 512676233 BDFTWANYXGRPMQ-UHFFFAOYSA-N 272.392 3.722 30 20 CHED N#CCCCCNCc1ccc(CSC(F)F)o1 237926546 UGGZHPUODKIECK-UHFFFAOYSA-N 274.336 3.519 30 20 CHED C[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 336029335 MGCYLQQDHYUWAZ-GHMZBOCLSA-N 286.762 3.830 30 20 CHED CC(=O)c1ccc(Oc2snc(Cl)c2C#N)cc1 92581392 BYAFHZVCJJFPCW-UHFFFAOYSA-N 278.720 3.663 30 20 CHED Cc1ccncc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 334271145 UJWALABPDAMPGD-UHFFFAOYSA-N 299.399 3.873 30 20 CHED N#CCCCNC(=O)NCc1ccc(C2CCCCC2)cc1 431463316 GSXFWHSMPSCNDG-UHFFFAOYSA-N 299.418 3.837 30 20 CHED CCN(Cc1ccc(N(CC)CC)cc1)C[C@@H](C)C#N 91984091 CRAQMBQPELTRMR-HNNXBMFYSA-N 273.424 3.514 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N(C)CC(C)(C)C#N)c2c1 432144284 WXNDTBKHFJAYEF-UHFFFAOYSA-N 292.386 3.709 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC(C)(C)[C@H]1c1ccncc1 335556231 AZRQMOAXANPTPH-CQSZACIVSA-N 272.392 3.593 30 20 CHED Cc1nc(SCC2(C#N)CCC2)c2ccccc2n1 334625143 WVJJFZLKRBEHDW-UHFFFAOYSA-N 269.373 3.724 30 20 CHED CCC[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccn1 339421770 DZQABYAQCNBFEI-AWEZNQCLSA-N 297.333 3.615 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cn(C)nc1C(C)(C)C 93902409 UIQQTKWXFUVWCS-VOTSOKGWSA-N 272.348 3.515 30 20 CHED C[C@H]1CCN(c2nccc(C#N)c2Cl)CC12CCC2 342934711 RNSGSSUCJJKIOY-NSHDSACASA-N 275.783 3.623 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)N[C@H](CCC#N)c1ccccc1 438845730 DJLVRROVKAGRJO-DJIMGWMZSA-N 299.418 3.861 30 20 CHED N#C[C@H](C(=O)c1ccc(-c2cccs2)o1)c1ccccn1 340947660 HTMJSXCMJSKHBG-NSHDSACASA-N 294.335 3.893 30 20 CHED C=CCC[C@@H](NCCCCN1CCC[C@@H](C)C1)C1CC1 245921277 GKRWDJQSJKLZBP-SJLPKXTDSA-N 278.484 3.833 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 341875629 JDNRYIUIMUDONN-HOTGVXAUSA-N 296.414 3.584 30 20 CHED CC(C)Oc1ccc(N[C@@H](C)c2cccc(C#N)c2)cn1 527485173 HSOWRRXSXNUHNK-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED N#Cc1ccc(CN2CCC3(CCSCC3)CC2)cc1 602734156 FDCZYTFKGZCDIQ-UHFFFAOYSA-N 286.444 3.667 30 20 CHED Cc1c(C#N)cccc1-c1nc([C@@H]2CCC(F)(F)C2)no1 347266126 PKBGRHMWAZUARY-SNVBAGLBSA-N 289.285 3.820 30 20 CHED Cc1csc(NC(=O)N2CCC(F)(F)C[C@@H]2C)c1C#N 529096653 FKDXDCQWPCSZRX-VIFPVBQESA-N 299.346 3.580 30 20 CHED C=CCCCCCN(C)c1ncnc2ccsc12 523534827 PYOVVQFPIXBXDW-UHFFFAOYSA-N 261.394 3.874 30 20 CHED N#CCCCCN(Cc1ccco1)c1ccccc1 343579547 LIPBYJFCOFWGJB-UHFFFAOYSA-N 254.333 3.980 30 20 CHED CSCC[C@](C)(C#N)NC(=O)c1cccc2ccccc12 344654691 FPRQZGMCBNKYJA-QGZVFWFLSA-N 298.411 3.605 30 20 CHED CCCCN(C)C[C@H](C)N[C@H](CC)c1ccc(C#N)cc1 343920160 CYPANBDPENLUQB-MAUKXSAKSA-N 287.451 3.719 30 20 CHED Cc1nc2c(NC(=O)CCCCCC#N)cccc2o1 601622068 SKGWLWNEFPZYBU-UHFFFAOYSA-N 271.320 3.549 30 20 CHED C[C@H](CCC#N)CN1CCc2c(Cl)cccc2C1 602477878 YKKHLJVHWZIICY-GFCCVEGCSA-N 262.784 3.638 30 20 CHED C=CC[C@@H]1N(S(=O)(=O)c2cccs2)CCCC1(C)C 443986268 FXAKTUCFNHSAMY-LBPRGKRZSA-N 299.461 3.504 30 20 CHED C=CCCOCC(=O)N(C)c1ccc(-c2ccccc2)cc1 608163759 WOSGKMUZCPPTLY-UHFFFAOYSA-N 295.382 3.909 30 20 CHED Cc1cc(C)cc(C[C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1 442866768 MQOHDBXETUIGJA-UXLLHSPISA-N 256.393 3.516 30 20 CHED Cc1ccc([C@@H]2OCCC[C@H]2NC[C@@H](C)CCC#N)cc1 602572757 MMUKELZPELEIEL-JQHSSLGASA-N 286.419 3.745 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CSc3ccccc32)C1 447539541 HBDURTINCVIAHA-MBNYWOFBSA-N 258.390 3.505 30 20 CHED CCC[C@@H](C(=O)N(CC)[C@@H](C)C#N)c1cccc(Cl)c1 600109931 SIWLNAYQZVZKOG-SWLSCSKDSA-N 292.810 3.984 30 20 CHED COc1ccc(C#N)cc1CN(C)Cc1ccc(F)c(C)c1 444728427 DOTNBZYLQJCGOZ-UHFFFAOYSA-N 298.361 3.646 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[C@H](C#N)C1 442863437 QXNWGHGPZQPGEE-IMJJTQAJSA-N 276.811 3.943 30 20 CHED CC1(C#N)CCC(NC[C@H]2[C@H]3c4ccccc4C[C@H]32)CC1 449187756 MWWDWOZAEPSBJT-AHCQMBGYSA-N 280.415 3.634 30 20 CHED C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(CCCC(C)(C)C#N)C1 350160724 NTRLTCMUNCJJOQ-BBWFWOEESA-N 291.483 3.654 30 20 CHED CCN(Cc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1C 444659261 HIKZMJVDKKZYGI-RHSMWYFYSA-N 256.393 3.959 30 20 CHED N#CCc1ccc(-c2nc(CCc3ccccc3)no2)cc1 534692587 RNMIFOATKMLNMH-UHFFFAOYSA-N 289.338 3.588 30 20 CHED CCC(CC)CN(CC)C(=O)[C@]1(C#N)CC12CCCC2 448701620 TWUSDQNXKVIGPD-QGZVFWFLSA-N 276.424 3.745 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)Cc1c(F)cccc1F 357141790 BHMKKYWJZCPJRQ-HXUWFJFHSA-N 299.386 3.934 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1ccc(CCCC)cc1 604880736 JFQHOKDFAGHISN-CQSZACIVSA-N 259.393 3.653 30 20 CHED C=CC1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 536672101 IUOKSRJZWWQBKX-UHFFFAOYSA-N 285.309 3.825 30 20 CHED C=C(C)[C@@H](Cc1nc(C2(CC)CCCC2)no1)OCC 445786027 URPCSQMZRDWSHL-CYBMUJFWSA-N 278.396 3.815 30 20 CHED N#Cc1ccccc1OCCOc1cc(Cl)ccc1F 536017669 MPBNRJYJUWUEPQ-UHFFFAOYSA-N 291.709 3.809 30 20 CHED CC[C@]1(C)CCCN(C(=O)NCC(C)(C)CCC#N)C1 358718985 YVFNSHBULQKQHW-MRXNPFEDSA-N 279.428 3.538 30 20 CHED COc1cccc2c(CN3CCC(F)(C#N)CC3)cccc12 449316149 LTQPYAJNMNRHDV-UHFFFAOYSA-N 298.361 3.676 30 20 CHED Cc1cc(CNC[C@H](c2cccnc2)C(C)C)ccc1C#N 443984024 SDRDYVLJDOYCSB-IBGZPJMESA-N 293.414 3.791 30 20 CHED CC1CCC(c2noc(CNc3ccc(C#N)cc3)n2)CC1 356194633 PJLUWXRIHSIJPE-UHFFFAOYSA-N 296.374 3.847 30 20 CHED C=CC[C@H](CC)N=c1[nH]c(C(F)F)nc2ccccc12 440631608 AIBYWIUZSQEIKI-JTQLQIEISA-N 277.318 3.756 30 20 CHED C=CCCNC(=O)[C@@H](C)c1c(Cl)cccc1Cl 617615441 MDYGIDRZSRYZNU-VIFPVBQESA-N 272.175 3.789 30 20 CHED C=C(CC)CNc1ccc(-c2nccc(C)n2)cc1 536881700 JXUWNORGTZYVGU-UHFFFAOYSA-N 253.349 3.830 30 20 CHED CCc1cc(C#N)ccc1OCc1ccccc1C#N 442097766 XUFPMFVCLFOXGR-UHFFFAOYSA-N 262.312 3.571 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1 617778458 GXVSPLCWSBPLKQ-NSHDSACASA-N 283.824 3.759 30 20 CHED Cc1cc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)ccc1F 449372103 CIPQQRQXNBDSJI-IPYPFGDCSA-N 260.356 3.867 30 20 CHED CC(C)(CCC#N)CN1CCC[C@H]1c1ccccn1 536629487 SEPLRZGRJVWPHT-HNNXBMFYSA-N 257.381 3.548 30 20 CHED Cc1ccc(CNc2cc(C#N)ccc2OC(C)C)o1 354870455 UVLRDUXTZGRUAH-UHFFFAOYSA-N 270.332 3.859 30 20 CHED C[C@@H](Nc1cc(C#N)ncn1)c1cc2ccccc2s1 617950244 ZTFFPPDWFNOOJW-SNVBAGLBSA-N 280.356 3.736 30 20 CHED COc1ccc(C)cc1CN[C@H]1CCc2cc(C#N)ccc21 618741652 JDFMSBOIGMDQHW-SFHVURJKSA-N 292.382 3.652 30 20 CHED C#CCN(CC)C(=O)c1cc(C2CC2)nc2ccc(C)cc12 266907688 BYPSBEZFIVIVEM-UHFFFAOYSA-N 292.382 3.516 30 20 CHED C=CCC1(NC(=O)c2oc(SC)cc2C)CCCC1 619110731 OLNYNUXUCUQYII-UHFFFAOYSA-N 279.405 3.929 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)c2cccc(F)c2O1 361138328 ARGRTYUVPHCTME-SNVBAGLBSA-N 288.347 3.546 30 20 CHED C=CC(C)(C)C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F 450046140 RGOCUIREMKMPOR-MNOVXSKESA-N 277.330 3.684 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(-c2ccccc2F)o1 271162381 LMMMZBUCGLTKES-LBPRGKRZSA-N 272.323 3.820 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(C(C)C)c1 614131769 FGSYTIJRCQTQPD-MRXNPFEDSA-N 257.377 3.991 30 20 CHED C#CCCCCC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 279700202 OPKXZMUYGOBLCT-KRWDZBQOSA-N 283.415 3.813 30 20 CHED N#CCc1ccc(CNc2ccc3scnc3c2)cc1 544093610 LQPJUFBQTYSTFU-UHFFFAOYSA-N 279.368 3.974 30 20 CHED C=C(C)CCNC(=O)c1ccc2c3c(cccc13)CC2 452726526 VSTADWWLSDYQAI-UHFFFAOYSA-N 265.356 3.634 30 20 CHED CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2)CS1 277318733 SZKOXNHEQVWKAH-MAZHCROVSA-N 274.433 3.739 30 20 CHED C=C(CC)CNC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 455528139 WUGFBZQMUIEPMR-RYUDHWBXSA-N 292.345 3.621 30 20 CHED C=C[C@H](CC(=O)NC[C@H](OC)[C@@H](C)CC)c1ccccc1 452411139 LTLJHDCTJRQZIL-UXLLHSPISA-N 289.419 3.524 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 452783144 LVUOHDOQTAARKO-OLZOCXBDSA-N 277.795 3.772 30 20 CHED C=C(C)Cn1c(N2CC[C@H](C)[C@H](C)C2)nnc1C(C)(C)C 549260365 DEBYYQSBDYVWNI-UONOGXRCSA-N 290.455 3.634 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCc2sccc2[C@H]1C)OCC 270163002 ZHSZXMZSGIJPDO-TZMCWYRMSA-N 293.432 3.565 30 20 CHED C#CCCCC(=O)NCCCc1cccc(C(F)(F)F)c1 277183338 GZFAUTREAQZBLC-UHFFFAOYSA-N 297.320 3.558 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)NCC(C)(C)C#N 611689824 RBRCFPTXZRCYQN-OAHLLOKOSA-N 278.440 3.895 30 20 CHED CC(C)(CNC(=O)c1cccc(CC#N)c1)C1=CCCC1 457173474 BRZBTTHYLAPXPD-UHFFFAOYSA-N 282.387 3.619 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCCS1 542144505 BJRBIMFRLAIODX-INIZCTEOSA-N 289.444 3.529 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)o1 453369284 TUEKIDNJIPBMRQ-HOCLYGCPSA-N 285.387 3.924 30 20 CHED C=CCCC(=O)N[C@H](CCc1ccccc1)C(F)(F)F 272321915 QKBLXTACCDYCMR-CYBMUJFWSA-N 285.309 3.633 30 20 CHED Cc1ccnc(N[C@@H]2CCCOc3ccccc32)c1C#N 272976118 ACBCCUKUFKZJSL-OAHLLOKOSA-N 279.343 3.588 30 20 CHED CC(C)(C#N)CCCCn1ccnc1[C@@H](O)c1ccccc1 277493857 CXQROZIHFVEOQJ-INIZCTEOSA-N 297.402 3.685 30 20 CHED C=CCCCCNC(=O)Nc1cnn([C@H](C)CC)c1C 362319442 NAVWLAJYJPPXES-GFCCVEGCSA-N 278.400 3.640 30 20 CHED N#Cc1ccc(C[S@@](=O)Cc2cc3ccccc3o2)cc1 362882373 CDSZXDQRLZZYKS-OAQYLSRUSA-N 295.363 3.753 30 20 CHED CCC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCOCC1 271919552 DDZKQWUGWOTEJA-CYBMUJFWSA-N 290.382 3.555 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H]1c1ccsc1 274538071 FUIOVJGVJJBYLE-AWEZNQCLSA-N 278.421 3.951 30 20 CHED Cc1ccnc(N2CCC[C@H]2/C=C\c2ccccc2)c1C#N 544142105 LWMBOKRYKHOARL-IBSYWUHOSA-N 289.382 3.944 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2C[C@@H]2Cc2ccccc2)c1 543434818 NGIKVXBLBCPTKS-HKUYNNGSSA-N 290.366 3.804 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 270209432 FZOIGVPVBHVFMK-RDJZCZTQSA-N 282.387 3.547 30 20 CHED CCOC1CC(CCN[C@@H](CC)c2ccc(C#N)cc2)C1 278150338 ABWWQWZPPGDIFC-VJFUWPCTSA-N 286.419 3.804 30 20 CHED CCN(CC)C[C@H]1CCCC[C@@H]1NCc1ccccc1C#N 559328310 LGRVQNKPHKUYJZ-MOPGFXCFSA-N 299.462 3.548 30 20 CHED CCc1nc(CN2CCCc3cc(C#N)ccc32)cs1 559640954 UGQBQBKZSNVQCW-UHFFFAOYSA-N 283.400 3.530 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H]1SCCc2ccccc21 467970557 QIRQKGFRHNLDRX-RDJZCZTQSA-N 289.444 3.736 30 20 CHED N#Cc1ccc(NC[C@H]2CCN(c3ccccc3F)C2)cc1 461876799 JVUDJJCQBGPKIM-OAHLLOKOSA-N 295.361 3.636 30 20 CHED CC[C@H](C#N)NC(=O)c1cccc(Oc2ccccc2)c1 464108439 POJHNLWVCYOOGI-CQSZACIVSA-N 280.327 3.511 30 20 CHED CC[C@@H](CC#N)NC(=O)c1coc2ccc(C(C)C)cc12 286182067 KZFNUDXNFFREOV-ZDUSSCGKSA-N 284.359 3.978 30 20 CHED C=CCC[C@H](C(=O)NC[C@@H]1CCSC1)c1ccccc1 280162396 NNAPVRADCBPEFI-HOCLYGCPSA-N 289.444 3.606 30 20 CHED C=C(C)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 550029496 SACZWNQPACMOQA-UHFFFAOYSA-N 297.801 3.737 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@]1(C#N)CCc2ccccc2C1 472285358 JQJIGNGOTSNFSQ-AUUYWEPGSA-N 298.430 3.626 30 20 CHED C=CCCOc1cnc2ccc(Br)cc2c1 555406996 JRJLOBUVWDFROF-UHFFFAOYSA-N 278.149 3.952 30 20 CHED N#CCCCC(=O)Oc1cc(Cl)cc(Cl)c1 291237071 URFWJODIWQNWTO-UHFFFAOYSA-N 258.104 3.593 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)NCC#Cc1ccccc1)C1CC1 472918287 AYYUQGNMOAHRKD-JKSUJKDBSA-N 298.430 3.647 30 20 CHED CCc1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 552816546 VHKZYWOAQBLUQT-UHFFFAOYSA-N 290.366 3.540 30 20 CHED C#CCCc1noc(-c2sc3cc(F)ccc3c2C)n1 809396672 NKUUMFRZWBPSGZ-UHFFFAOYSA-N 286.331 3.965 30 20 CHED CCC[C@H](Nc1cc(C#N)cc(C)n1)[C@H](O)c1ccccc1 804680863 WSIHIZODZUSWAV-FUHWJXTLSA-N 295.386 3.576 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 561714829 FYOSSVOOJUYRKW-GOSISDBHSA-N 286.419 3.716 30 20 CHED C[C@@H]1CCCC[C@@H]1NCC#Cc1cccc(Cl)c1 475149639 DZIDVFDZGUZDAG-CJNGLKHVSA-N 261.796 3.860 30 20 CHED C=CCCCCNC(=O)NCc1c(Cl)cccc1OC 479748615 RTDIUDVHGYHZMD-UHFFFAOYSA-N 296.798 3.504 30 20 CHED CCCC(=O)Nc1cccc(NCC#Cc2ccccc2)c1 479482510 UERNIJNGMRHDNT-UHFFFAOYSA-N 292.382 3.889 30 20 CHED C=CCOc1cccc(CNCC2(OC)CCCCC2)c1 479390705 JIVUFYARQSNJNS-UHFFFAOYSA-N 289.419 3.690 30 20 CHED C=C[C@@H](C)NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1 473863696 KDUYJCKPMNMFJE-LLVKDONJSA-N 297.320 3.719 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2Cc3ccccc32)n1 645623761 ULPXQLYMOPWWSZ-CYBMUJFWSA-N 254.333 3.611 30 20 CHED C#CCCCC(=O)Nc1ncc(-c2ccccc2F)s1 801733100 VMKKYTTWSGGVLY-UHFFFAOYSA-N 288.347 3.691 30 20 CHED C#Cc1ccc(CN(CC)Cc2cccs2)cc1 809540314 QLVXVGGYJZWMJE-UHFFFAOYSA-N 255.386 3.752 30 20 CHED C=CCCCCCCNC(=O)Nc1c(C)ccnc1C 806535755 BOYBIWKNJJULNY-UHFFFAOYSA-N 275.396 3.956 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C(C)=C\CC 804560240 XGURCXUYGVQDHS-NVNXTCNLSA-N 289.423 3.725 30 20 CHED N#Cc1ccc(/C=C\c2nc(C3CCSCC3)no2)cc1 562477034 ZJYZGCPPNCJPHE-WAYWQWQTSA-N 297.383 3.722 30 20 CHED CC(C)CCC(=NNc1ccc(Cl)nn1)C1CC1 802703296 CICLLHFQYSUUGA-UHFFFAOYSA-N 266.776 3.744 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](CCCCC)c1ccccc1 812025614 BJXUAYPOEIATSC-RDJZCZTQSA-N 286.419 3.971 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cc(F)c(N)c(F)c1 814815184 PKWPZCNXLQJKGE-JTQLQIEISA-N 289.329 3.622 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1cccc(F)c1 811685278 NPTXLIXICBJFTP-FPLPWBNLSA-N 269.250 3.733 30 20 CHED CC(C)(C)OC(=O)C1CCC(=NOC/C=C\Cl)CC1 811672129 QRFYVCLTUKGXJU-ZTNZKHEOSA-N 287.787 3.643 30 20 CHED CC[C@H]1CN(c2c(C#N)cnc3ccccc23)C[C@H](CC)O1 398419081 BNDCMAIOAXFMFM-GJZGRUSLSA-N 295.386 3.500 30 20 CHED C#CCONC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 812786907 UCUVDMYHCDGKBB-UHFFFAOYSA-N 297.354 3.539 30 20 CHED C#CC[C@H](NC(=O)CC(C)(C)C1CC1)c1ccccc1 815876831 QHKCWNPARWUMNO-INIZCTEOSA-N 269.388 3.694 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CC2(Cl)Cl)n1 815707811 QSAYWTYLPDDDHT-SSDOTTSWSA-N 261.152 3.585 30 20 CHED CCOc1ccc(NN=C(C)c2cnc(C)s2)cc1 814985887 WUMHDAJKSDAKQG-UHFFFAOYSA-N 275.377 3.686 30 20 CHED CC(=NNC[C@H]1CCSC1)c1ccc(F)cc1Cl 811658201 DCMOQRSPPDQEBX-SNVBAGLBSA-N 286.803 3.546 30 20 CHED N#CCCNCCc1csc(-c2ccc(Cl)cc2)n1 564202435 JKIRCAPVXJDYHN-UHFFFAOYSA-N 291.807 3.509 30 20 CHED C[C@H](OC(=O)C1(F)CCCCC1)c1cccc(C#N)c1 810568247 KIMMSCSLZNMZCS-LBPRGKRZSA-N 275.323 3.835 30 20 CHED COCC(=NOC1CCC1)c1cccc(C(F)(F)F)c1 812235585 YKEDPKVJUCTSOH-UHFFFAOYSA-N 287.281 3.625 30 20 CHED c1cc(-c2noc(NN=C3CCCC34CCCC4)n2)ccn1 814827405 IPTUXKRARPOGFD-UHFFFAOYSA-N 297.362 3.644 30 20 CHED C#Cc1ccccc1CC(=O)O[C@H](C)c1ccc(F)cc1 810551192 PTRKRKJOFQHAPK-CYBMUJFWSA-N 282.314 3.654 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(-c2cscn2)cc1 815975018 YIBBJZNXIMDKBL-UHFFFAOYSA-N 295.310 3.927 30 20 CHED CCCCCCCC(=O)NC/C=C\c1cccnc1 816738636 IVTHMCVYWUVFGY-NTMALXAHSA-N 260.381 3.572 30 20 CHED C=CCCCS(=O)(=O)N[C@H](c1ccccc1)C(C)(C)C 489112006 BZTHDXMVFCQZMM-OAHLLOKOSA-N 295.448 3.659 30 20 CHED C=CCOc1cccc(NC(=O)C2(F)CCCCC2)c1 810196473 YAJVDEDFLHANHH-UHFFFAOYSA-N 277.339 3.862 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccccc1CC 815314114 FZZYFAKWWIBLQS-UHFFFAOYSA-N 254.276 3.504 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1cc2ccccc2o1 578077559 KRVAADCLNNXOMD-UHFFFAOYSA-N 286.375 3.834 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC(C)(C)[C@H]1c1cccnc1 571645085 MGEGUIWTXVNSJG-RHSMWYFYSA-N 272.392 3.593 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNC[C@H]1CCSC1 811660044 FGLZRAPUYMDWDV-CHWSQXEVSA-N 274.433 3.549 30 20 CHED C=CCC1(CN[C@@H]2CCC23CCOCC3)CCCC1 573198797 QHMLLCVWXAQKRV-OAHLLOKOSA-N 263.425 3.672 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1cccc(Cl)c1 488845621 WUTQSANAZGPODQ-TZMCWYRMSA-N 293.794 3.674 30 20 CHED N#C[C@]1(C(=O)Nc2ccc(F)c(Cl)c2)CC12CCCC2 572332006 DWBLLUKZJRLWKX-HNNXBMFYSA-N 292.741 3.892 30 20 CHED OCCC[C@H]1CCCCC1=NOCc1ccc(F)cc1 814903738 YJARCCFAONVWGG-CQSZACIVSA-N 279.355 3.661 30 20 CHED CC(C)CC[C@@H](NCc1ccc(C#N)cn1)C(C)(C)C 572678519 UZCYUCCRWYLABO-MRXNPFEDSA-N 273.424 3.894 30 20 CHED CC(Cc1cccs1)=NNc1cccc([N+](=O)[O-])c1C 729638868 JFXZABQTWNVSCH-UHFFFAOYSA-N 289.360 3.995 30 20 CHED CCCC(Cc1ccccc1)=NNc1ccc(C)nn1 729938466 XEAHLJVAGGAAHN-UHFFFAOYSA-N 268.364 3.596 30 20 CHED C=CCN(C(=O)c1ccnc(Oc2ccccc2)c1)C(C)C 726142160 BJRMCVZWQARBQD-UHFFFAOYSA-N 296.370 3.911 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCC[C@H](F)C2)c(Cl)c1 573321732 ZCXAEDZKNYQTMA-QWRGUYRKSA-N 295.745 3.614 30 20 CHED Cc1ncccc1C=NNc1ncc(Cl)cc1Cl 728779928 RBCYXRQYUXOSJC-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CCCc1csc(CN[C@H](C)c2ccc(C#N)cc2)n1 494320470 WAGSCCWXAFSBMU-GFCCVEGCSA-N 285.416 3.818 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C(F)=C(\C)C1CC1 900417647 HGLMAOMVDIEHII-LGMDPLHJSA-N 298.361 3.726 30 20 CHED C=CCCC[C@H](NC[C@H]1CCCC(C)(C)C1)C(=O)O 900068266 DBRPFUZRSYBIPG-KBPBESRZSA-N 267.413 3.602 30 20 CHED C=CCn1c(Nc2ccc(C)cc2)nnc1[C@@H]1OCC[C@@H]1C 581160863 RHURWNSZIXYENC-DZGCQCFKSA-N 298.390 3.614 30 20 CHED CC[C@H]1CCCC[C@@H]1NCCCC1(C#N)CCOCC1 499638970 ZIMOHHDISXSOBD-HOTGVXAUSA-N 278.440 3.645 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1 581951966 TVVAHGURZFIYAC-XSLAGTTESA-N 296.414 3.708 30 20 CHED CC(C)(C#N)CNC(=O)c1ccc(C2CCCC2)cc1 589485497 JDPPRAUGDZFJCI-UHFFFAOYSA-N 270.376 3.624 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1nc(C)c(C)[nH]1)C2=O 901490344 VBOJZVJETVMQTF-WWNSAXIVSA-N 266.344 3.718 30 20 CHED C=CCC[C@H](NC/C=C\c1c(C)cc(C)cc1C)C(=O)O 901689657 HBGHNCKMSNOAOF-QWPQOLDESA-N 287.403 3.634 30 20 CHED C[C@@](C#N)(NC(=O)[C@@H]1CCCCC1(F)F)C1CCCCC1 581865148 NXMQGQXPDJPOQA-ZFWWWQNUSA-N 298.377 3.791 30 20 CHED O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1ncco1 901519702 RHEWLMXROXOYMU-RMKNXTFCSA-N 282.343 3.561 30 20 CHED C=CCC1(C(=O)Oc2ccc3c(c2)CC(=O)N3)CCCCC1 831649411 MSYVQQIMBRLEFN-UHFFFAOYSA-N 299.370 3.613 30 20 CHED COc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1 730949662 ZLDPUFOTMQRMMA-XNTDXEJSSA-N 264.324 3.826 30 20 CHED N#CCCCCCC(=O)NC[C@@H]1CCCCC(F)(F)C1 589996171 WPQGVGYXFDINEN-CYBMUJFWSA-N 286.366 3.792 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc(F)c(C)c2)no1 903288457 ATHJQIWPNTWUCU-JSGCOSHPSA-N 288.322 3.633 30 20 CHED CC[C@H](NC(=O)N1CCC(CCC#N)CC1)C(C)(C)C 584169456 ZZUXZIBBUNPERJ-AWEZNQCLSA-N 279.428 3.536 30 20 CHED N#Cc1ccc(CCC(=O)N(c2ccccc2)C2CC2)cc1 839422658 IULDIXQSEZARQP-UHFFFAOYSA-N 290.366 3.686 30 20 CHED C[C@H]1CCC[C@@H](N(C)Cc2ccc(OCC#N)cc2)C1 731211452 JXOVJBWYHQQUBD-GOEBONIOSA-N 272.392 3.599 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc(Br)cc1F 839034040 LKLKVEPQRKVHIO-SECBINFHSA-N 299.139 3.547 30 20 CHED C=CCC[C@H](NCc1ccccn1)c1ccccc1 676422060 RKCBYOKFNDOLDQ-KRWDZBQOSA-N 252.361 3.879 30 20 CHED Clc1ccc([C@@H]2CCCC2=NNc2ccncn2)cc1 835000840 AWTTXBDHLUXATP-ZDUSSCGKSA-N 286.766 3.866 30 20 CHED COc1ccc(C(C)=NNc2cccc(C)c2)c(OC)c1 916256113 LTSXICIKBOZDOR-UHFFFAOYSA-N 284.359 3.848 30 20 CHED Cc1ccc(C=NNc2ncccc2Cl)cc1C 917546957 WLUXQTCELDWZTE-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CCC#C[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 678743051 SAUNZTAOEVYAPW-NEPJUHHUSA-N 267.319 3.741 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)C1CCCCC1 916268947 HRMZQCPPHNQEPA-UHFFFAOYSA-N 261.325 3.963 30 20 CHED CC(=O)c1cc(N[C@@H](C#N)Cc2ccccc2)ccc1F 671644260 RMTXMGAHSQESIK-OAHLLOKOSA-N 282.318 3.575 30 20 CHED Cc1cccc(CC/N=C\c2cc3ccccc3nc2O)c1 749105782 YCAKBZDJUCACIX-MOSHPQCFSA-N 290.366 3.910 30 20 CHED N#CC1(c2ccc(-c3cc[nH]n3)cc2)CCCCC1 592988618 LSLMOHYUCKHFKH-UHFFFAOYSA-N 251.333 3.802 30 20 CHED C(=NNc1nc2ccccc2s1)c1ccsc1 916248417 DNERBMBYJWZMME-UHFFFAOYSA-N 259.359 3.804 30 20 CHED CC(Cc1ccccc1C)=NNc1nncc2ccccc12 743423633 UGJQWQOVDHVUDY-UHFFFAOYSA-N 290.370 3.969 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1cc(F)ccc1C#N 849847238 SWTIDGOSVLSTNT-HNNXBMFYSA-N 281.302 3.659 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C=C(C1CC1)C1CC1 748935698 VUZHGDVPHOMLRD-UHFFFAOYSA-N 281.355 3.656 30 20 CHED Cc1cc(C#N)ccc1N[C@H](C)c1cnn(C(C)C)c1 846748586 BMSSPESVAZOUSV-CYBMUJFWSA-N 268.364 3.817 30 20 CHED C=CCn1c(=S)n(CN(CC)C2CC2)c2ccccc21 914565973 INKNGESTUZZRGA-UHFFFAOYSA-N 287.432 3.800 30 20 CHED O=C(NO)[C@@H](Sc1cccs1)c1cccc(Cl)c1 671994750 CJWSXANUJNWCOH-NSHDSACASA-N 299.804 3.740 30 20 CHED CC(C)CC1(NC(=O)C[C@H](CC#N)c2ccccc2)CC1 598403398 AOYVFELHWUZTHE-INIZCTEOSA-N 284.403 3.769 30 20 CHED Cc1ccc(C=NNc2ncnc3c2oc2ccccc23)o1 744788457 MEZBXROQJIXMAZ-UHFFFAOYSA-N 292.298 3.723 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)CCOc1ccccc1 745953132 BTYHSHXFKVZWGP-AWEZNQCLSA-N 262.349 3.601 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)CCCc2cccnc2)c1 840712083 VFYRMAZXOVUEGH-GNUZOCDUSA-N 298.386 3.626 30 20 CHED COc1ccc2c(c1)C(=NNc1cc(F)cc(F)c1)CC2 747632432 CSWQGJGFQCQLAI-UHFFFAOYSA-N 288.297 3.736 30 20 CHED Oc1nc2ccccc2cc1/C=N/Cc1ccccc1F 912776662 RRZHVZITONAQAN-YBFXNURJSA-N 280.302 3.699 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC3(CCC3)CC2)c1 590859015 XYKAEWXXSVGFSY-UHFFFAOYSA-N 283.375 3.665 30 20 CHED N#CCCSCc1noc(-c2c(F)cccc2Cl)n1 592355120 KFKFXGSOQIWHHE-UHFFFAOYSA-N 297.742 3.676 30 20 CHED C[C@]1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCc2ccccc21 842818008 FYESXRQQNFBSHF-XUWXXGDYSA-N 283.371 3.516 30 20 CHED Cc1cc(C#N)ccc1NCCC[C@@H]1CCCCO1 846751193 AQFRFQDBWHRYLM-HNNXBMFYSA-N 258.365 3.628 30 20 CHED N#CC1(CC(=O)NC[C@H]2CCC[C@H]2C2CC2)CCCCC1 597773519 IURMRWGRZPTTFD-CVEARBPZSA-N 288.435 3.793 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc2c1CCC2 593622638 ZTWXYUHAIXCCBR-HXUWFJFHSA-N 288.394 3.824 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2nc(C)cc(C)c2C#N)CC1 598856476 HUZCQEGYFHQAIR-AWEZNQCLSA-N 283.375 3.645 30 20 CHED C[C@@H](C#N)N(Cc1cc(Cl)sc1Cl)C1CC1 595710872 VXPHLNNUACSXHI-ZETCQYMHSA-N 275.204 3.931 30 20 CHED Cc1cccc(CC(=NOCc2cccnc2)C2CC2)c1 746586271 UXAZQFHVWCXASI-UHFFFAOYSA-N 280.371 3.915 30 20 CHED CC(CCCCC#N)=NNc1ccc(F)c([N+](=O)[O-])c1 841634728 SQZARJSIVOQGPN-UHFFFAOYSA-N 278.287 3.606 30 20 CHED CC[C@H](CC(=O)Nc1cc(C#N)ccc1O)c1ccccc1 748005575 WMKSLNOZLYCXLG-CQSZACIVSA-N 294.354 3.786 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C=C(/C)c1cccc(Cl)c1 847167643 JOAXCPPTXSCLKM-KOTGUFOOSA-N 276.767 3.504 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C=C/C2CCCC2)cc1 843596063 YMOFBJATZZHYGN-XLNAKTSKSA-N 282.387 3.676 30 20 CHED C=CCC(C)(C)C(=O)OCCC1(C#N)CCCCC1 840578135 SWDHBOZDWKCZAJ-UHFFFAOYSA-N 263.381 3.996 30 20 CHED C=C[C@](C)(O)C(=O)Nc1cccc(CSC(C)C)c1C 597298556 ZZRZFJVTYRHYOZ-INIZCTEOSA-N 293.432 3.512 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)OCc1cc(C#N)ccc1F 920727131 KIJMYYAFKHIAJE-JSGCOSHPSA-N 289.350 3.957 30 20 CHED C[C@H](CC(C)(C)C#N)NCCC[C@H]1CC1(Cl)Cl 926657119 MIQDBNMCESBSJB-MNOVXSKESA-N 277.239 3.878 30 20 CHED CCCCNN=C[C@H](C)c1cccc(Br)c1 747633778 VQFPSHSLWXNKEM-NSHDSACASA-N 283.213 3.928 30 20 CHED C=CCN(C)C(=O)Nc1cccnc1Oc1ccccc1 681769035 QYHHMKIYVIDRFQ-UHFFFAOYSA-N 283.331 3.524 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1Cc2ccc(Cl)cc2C1 926359633 GVDAMSGNESAKMY-IAQYHMDHSA-N 276.811 3.725 30 20 CHED C=CCCOCC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 920465020 UYQWBFXMEPKQLY-GJZGRUSLSA-N 281.440 3.548 30 20 CHED FC(F)CON=Cc1ccc(Br)cc1Cl 758911537 QMTLZCLXEWOSRC-UHFFFAOYSA-N 298.514 3.718 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C)CC(C)(C)C2)cc1 680159122 NENVMUAYGIIMMX-CQSZACIVSA-N 287.403 3.760 30 20 CHED Cc1ccc([C@H](CN[C@H](C)CC(C)(C)C#N)N(C)C)cc1 924850468 MSAXRSXHQWPOSG-WBVHZDCISA-N 287.451 3.516 30 20 CHED CC(=NNc1ccc(F)cc1)c1cc(F)cc(F)c1 755872296 PJBDTKAGSSZDPR-UHFFFAOYSA-N 264.250 3.940 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C/C=C/c1ccco1 920375452 TYSOMTREQBDEOX-KJYHGJOXSA-N 291.694 3.952 30 20 CHED Cc1cccc2c1OC/C(=C1/COc3ccc(F)cc31)C2=O 920067463 ZPWLQMBGQUIURE-CCEZHUSRSA-N 296.297 3.555 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)cc1 751505652 QZNAEXHWGVELIL-OAHLLOKOSA-N 297.373 3.997 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(cnn2C(F)F)c1 682382993 WYKPAGKYNASCBS-OAHLLOKOSA-N 293.317 3.972 30 20 CHED COc1ccc(NN=CC2=Cc3ccccc3OC2)cc1 750923256 WENFGFWYVOJHBW-UHFFFAOYSA-N 280.327 3.569 30 20 CHED O=C1/C(=C\c2cc3ccccc3o2)Cc2c(O)cccc21 750907250 VRAKTSAFACUPNR-XFXZXTDPSA-N 276.291 3.961 30 20 CHED COc1cccc2c1C/C(=C\c1cccnc1Cl)C2=O 759666866 WBQQXAZRMBKQPA-DHZHZOJOSA-N 285.730 3.566 30 20 CHED C=CCC[C@H](C(=O)N1CCn2cccc2C1)c1ccccc1 928961917 ZDFGQKCHBZBZKG-SFHVURJKSA-N 294.398 3.580 30 20 CHED COc1ccc(CCNN=C(C)CC2CCCC2)cc1 752735596 XYNKHJUDBFAJTI-UHFFFAOYSA-N 274.408 3.784 30 20 CHED CS[C@H](CN[C@@H](C)CC(C)(C)C#N)C(C)(C)C 926135475 GTRXUBLVMPGCPR-NWDGAFQWSA-N 256.459 3.682 30 20 CHED CCCCCCCCNC(=O)N[C@H]1CCCSC1 754860934 BHXIDXHSSPGMAM-ZDUSSCGKSA-N 272.458 3.542 30 20 CHED CC(CC1CCOCC1)=NNc1cc(C)cc(C)c1 757563915 OUQUZQFHOBMARH-UHFFFAOYSA-N 260.381 3.908 30 20 CHED C#CC[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccccn1 850819698 SYVSMNYSYMTSMU-INIZCTEOSA-N 296.370 3.553 30 20 CHED C#CCCOC(=O)N[C@H](C)c1cccc(Cl)c1Cl 858992789 JQTWQFUWIBICII-SECBINFHSA-N 286.158 3.804 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H](OC)c1ccc(F)cc1 859724912 OSSDOHZUFVKBOA-AWEZNQCLSA-N 280.339 3.659 30 20 CHED Cc1ccccc1CCC(=O)OCc1cc(F)ccc1C#N 759364756 IGVJUGQAYZYLSR-UHFFFAOYSA-N 297.329 3.682 30 20 CHED C#C[C@@H](CC)NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 754389370 CDATUCAGYUPLDL-ZDUSSCGKSA-N 297.320 3.511 30 20 CHED C[C@H](CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC1 752038539 GIIMDIKIVKDVGX-ZTFGCOKTSA-N 296.414 3.721 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1cc(C)ccc1OC 860682733 CARLAURIMDSZEP-CYBMUJFWSA-N 289.375 3.938 30 20 CHED N#Cc1ccsc1NC(=O)N1CCC2(CCCCC2)C1 931841623 DXERXZFFVGTQTJ-UHFFFAOYSA-N 289.404 3.808 30 20 CHED C[C@@H]1CC(C)(C)c2cccc(NC(=O)N(C)CCC#N)c21 932644757 SVBQLPQUBJGJGF-GFCCVEGCSA-N 285.391 3.849 30 20 CHED C[C@H]1CSC(S[C@@H](C#N)CCc2ccccc2)=N1 865361964 HITJWRVTDNVWAT-WCQYABFASA-N 276.430 3.736 30 20 CHED C=C(C)COC(=O)[C@H](C)c1ccc(Br)cc1 766615801 DJOHZMBNNTZLDM-SNVBAGLBSA-N 283.165 3.672 30 20 CHED C#CCOc1ccc(CN(C)[C@H](C)c2cccs2)cc1 768418115 UGZXAUHNQMQHFC-CQSZACIVSA-N 285.412 3.953 30 20 CHED CC(C)CN(Cc1ccccn1)Cc1cc(C#N)ccc1F 932443465 KXVNRWLLCOXKPK-UHFFFAOYSA-N 297.377 3.751 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)CCCc1cccnc1 860810284 NUNDLNHWUPBTBZ-AWEZNQCLSA-N 288.391 3.666 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(OC2CCCC2)CC1 931319099 ACHWNXYQBXPIHN-CQSZACIVSA-N 279.424 3.539 30 20 CHED CC(C)(C)Oc1cccc(/C=C2/CCn3nccc3C2=O)c1 865225793 JRDUBOKKQQDVRE-KAMYIIQDSA-N 296.370 3.730 30 20 CHED CCc1ccc([C@H](C)C(=O)OCC2(C#N)CCC2)cc1 768105842 VPGKJFPPDOUVFT-ZDUSSCGKSA-N 271.360 3.590 30 20 CHED C=C(Cl)CNC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 762985463 ULILEGMZHCZLBH-JTQLQIEISA-N 296.802 3.606 30 20 CHED c1ccc(COCCCNN=C2CCC3(CC2)CC3)cc1 863177811 RMANPLPCFVXFFF-UHFFFAOYSA-N 286.419 3.893 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(C#N)s1 762442085 GKXXRXMFNDMLOQ-HWKANZROSA-N 275.354 3.586 30 20 CHED C=CCc1cc(CN2CC[C@H](C)[C@@H](C)C2)c(O)c(OC)c1 766379132 AAHSPIVTSCEWFU-KBPBESRZSA-N 289.419 3.607 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2cscc2C)c1 766391677 AUTYSYDNMUNLAR-UHFFFAOYSA-N 270.357 3.706 30 20 CHED CCCc1cc(C(=O)OCC2(C#N)CCC2)sc1C 768099724 XZUHEOJKHPMMBA-UHFFFAOYSA-N 277.389 3.860 30 20 CHED C#CCCCCC(=O)OCc1ccc(Cl)s1 773633268 UAHQKQBNKKTXOZ-UHFFFAOYSA-N 256.754 3.638 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](c2ccccc2)C1 779882479 VSIGRJWNDXRMRW-QGZVFWFLSA-N 269.388 3.586 30 20 CHED CCc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1CC 1116574261 ZKHAVDZPYVHKNA-GOSISDBHSA-N 284.403 3.577 30 20 CHED CC[C@@H](c1ccccc1)c1nnc(CC(C)(C)C#N)o1 1118375565 RFGDYMBOWWWXJZ-ZDUSSCGKSA-N 269.348 3.704 30 20 CHED CC/C(C)=C(/C)C(=O)N(CC)c1ccc(C#N)cc1 779965447 WJPFNMGRFGGLBS-SEYXRHQNSA-N 256.349 3.658 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)Cc1ccccc1Cl 1116892247 MPGATCRGVGOXBT-UNEWFSDZSA-N 293.838 3.842 30 20 CHED CCC(=NOCc1ccccc1)c1ccc(C#N)cc1 773034320 JPGODTPCJWWZLU-UHFFFAOYSA-N 264.328 3.889 30 20 CHED C=CCC[C@H](NC(=O)c1cc(O)cs1)c1ccccc1 772568200 GYAYOEBANNNNMS-AWEZNQCLSA-N 287.384 3.891 30 20 CHED C#CCCCCCC(=O)N(CC(F)F)c1ccccc1 779974439 YRSSVVGGBTTXKM-UHFFFAOYSA-N 279.330 3.868 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(F)cn1 770616284 VFYCETNEAAEBOS-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C[C@H](CCC#N)CNc1ccc(OC[C@@H]2CCCO2)cc1 876826748 HQRDZYXVWPFPIL-PBHICJAKSA-N 288.391 3.596 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(F)c(C#N)c1)C2=O 770571419 CVRMXIIFRNNYNM-KPKJPENVSA-N 293.297 3.528 30 20 CHED O=C(C=NOCCCCc1ccccc1)Nc1ccccc1 774718935 MRNXNDJELXWFEM-UHFFFAOYSA-N 296.370 3.650 30 20 CHED Cc1ccc(COC(=O)c2ccc(CC#N)cc2)c(C)c1 770118361 JHJOJPSSRHJRFW-UHFFFAOYSA-N 279.339 3.727 30 20 CHED CCS[C@H]1CCC[C@H](Nc2cccc(CC#N)n2)C1 1116661935 MHWUYXPPBSYBKS-KBPBESRZSA-N 275.421 3.624 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1c(F)cccc1F 876951034 ZDFOWYXWZSUFRT-MNOVXSKESA-N 252.308 3.555 30 20 CHED Cc1ccc(C)c(/C=C2/C(=O)Nc3cc(C#N)ccc32)c1 773158303 BDJTZSDXSTZCOZ-CXUHLZMHSA-N 274.323 3.668 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CC[C@H](O)[C@H](C)C1 779269153 MGSOZKTVXUDYQK-MMCLNADLSA-N 295.467 3.913 30 20 CHED C=C(CC)COC(=O)/C=C\c1ccc2ccccc2n1 773453447 SOASIRWLFAWGNT-KHPPLWFESA-N 267.328 3.757 30 20 CHED O=C1C/C(=C\c2c(F)cccc2F)C(=O)c2ccccc2N1 774145086 MLJZZHZMCFFLMA-CSKARUKUSA-N 299.276 3.573 30 20 CHED CC(C)(Cc1cccc(Cl)c1)C(=O)OCC1(C#N)CC1 775864295 HOJCDKQHFDXUEX-UHFFFAOYSA-N 291.778 3.756 30 20 CHED C#CCCCC(=O)O[C@@H](c1cccs1)[C@H](C#N)CC 1123105259 DHRWURGLESVIBC-SWLSCSKDSA-N 275.373 3.686 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ccccc1CC#N 776937472 KQFYUCWBCFAKCH-CRAIPNDOSA-N 298.430 3.722 30 20 CHED C#CC[C@@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccccc1 772194055 ZQFBQGNMRRBICB-JKSUJKDBSA-N 269.388 3.694 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2ccc(OC(C)C)cc2)n1 881814083 NAWRTBOJQHBXGG-GFCCVEGCSA-N 296.374 3.617 30 20 CHED Cc1ncsc1/C=C/C(=O)c1ccc(C#N)cc1Cl 788360814 NYHVZVCJTSNILV-SNAWJCMRSA-N 288.759 3.873 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(F)c(F)c1F 887608465 DDUCMHIBEIHFIA-UHFFFAOYSA-N 257.255 3.645 30 20 CHED Fc1ccc(NN=Cc2ccc(SC(F)F)cc2)nc1 781593474 TXUGKMVZFPACJV-UHFFFAOYSA-N 297.305 3.981 30 20 CHED CCc1ccc(CCC=NNc2ncncc2Cl)cc1 780283008 NVWMAIPKTVWXOQ-UHFFFAOYSA-N 288.782 3.723 30 20 CHED C#CCC1(C(=O)N2CCC[C@H](CC)C2)CCCCC1 788155198 LCYNAGPXALREQG-HNNXBMFYSA-N 261.409 3.609 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccccc2C(N)=O)cc1 788724641 BRDTXLDQJXSHIU-UHFFFAOYSA-N 295.386 3.529 30 20 CHED C=CCCCCCOC(=O)c1cccc(OC)c1OC 782022944 ZMMHVLXRBZKTKE-UHFFFAOYSA-N 278.348 3.607 30 20 CHED Brc1cc(NN=C2CCC23CCCC3)ccn1 788723593 VSDBTNNNVPTFAC-UHFFFAOYSA-N 294.196 3.966 30 20 CHED C#CCC1(C(=O)N2CCC(CC)CC2)CCCCC1 788171102 IOTAAMJFFLHOIE-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1ccc(F)cc1C#N 785741094 OLMISFPXAALWAV-NSHDSACASA-N 295.379 3.662 30 20 CHED C/C(C=NNC1CCCCC1)=C\c1cccc([N+](=O)[O-])c1 787161807 GPLSQXQUHLCHGS-XLKXHGFQSA-N 287.363 3.906 30 20 CHED CCSc1ccc(CNc2ccc(C#N)c(C)n2)cc1 1472865071 YUBPAARVZVJKNS-UHFFFAOYSA-N 283.400 3.986 30 20 CHED Cc1c(C(=O)/C=C/c2ccc3c(c2)CCCC3)cnn1C 792890950 RIGSFJQOWBLRAG-CSKARUKUSA-N 280.371 3.503 30 20 CHED CC1=C(C)CN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 796018474 PDYDGHRBDPHIKQ-OAHLLOKOSA-N 270.376 3.520 30 20 CHED C=CCC(C)(C)CNCc1ccncc1Br 631142192 HGAGAPMYNMOLKF-UHFFFAOYSA-N 283.213 3.536 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNC(=S)Nc1cccnc1 797400190 QWJRPRPKGQWTDO-NEPJUHHUSA-N 290.436 3.570 30 20 CHED N#Cc1c(F)cc(C(=O)Nc2ccc(Cl)cc2)cc1F 1135510786 TUVTXOMZBIAJAH-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1ccnc(O)c1 790282647 XBXBGBWBUXMGKO-UHFFFAOYSA-N 295.264 3.642 30 20 CHED Cc1nc(N[C@@H]2CCC[C@@H](F)C2)c(Cl)cc1C#N 591956172 VWVRSSILPNPPTG-GHMZBOCLSA-N 267.735 3.608 30 20 CHED CON(Cc1ccccc1C(C)(C)C#N)CC(C)(C)C 796478810 VERMRUXPOHXTIC-UHFFFAOYSA-N 274.408 3.897 30 20 CHED CC1(C#N)CN(CC(c2ccccc2)c2ccccc2)C1 1207522759 LDCIOJFGTZYVQY-UHFFFAOYSA-N 276.383 3.664 30 20 CHED CCC[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 708438786 CGFWDOLBTFHUIC-SECBINFHSA-N 269.801 3.685 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@@H](C#N)C2CCCCC2)CC1 592614504 KFMDCYIYOBHFRN-HOTGVXAUSA-N 274.408 3.712 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(-c2cscn2)cc1 797110915 LLQOMUXTZNKNSU-OAHLLOKOSA-N 286.356 3.655 30 20 CHED CSCCON=C(C)c1ccc(OC(C)C)cc1 794572547 UDWWAJFLUFTTET-UHFFFAOYSA-N 267.394 3.577 30 20 CHED C#C[C@H](CCC)NC(=O)CCOc1ccc2ccccc2c1 791201837 OHJIRTPYIAOPQE-QGZVFWFLSA-N 295.382 3.527 30 20 CHED FC(F)(F)CCNN=C1CCC[C@@H]1c1ccccc1 794544881 GBZZZUMGRJKCQS-GFCCVEGCSA-N 270.298 3.852 30 20 CHED Cc1ccc(OCCCC2(C#N)CCOCC2)c(Cl)n1 799176413 RJZHFYNRKPIREP-UHFFFAOYSA-N 294.782 3.523 30 20 CHED CC1(CNN=Cc2ccc3cnccc3c2)CCCC1 793085165 ZXZYZDPOUYKAFD-UHFFFAOYSA-N 267.376 3.739 30 20 CHED C=CCN(CCOC)Cc1ccc(SC(F)F)cc1 792192144 DVNRTECXXWYBRA-UHFFFAOYSA-N 287.375 3.636 30 20 CHED Cc1ccc2c(c1)C(=NNc1ncccc1C)CCC2 790193039 POQICLKJTAYOTR-UHFFFAOYSA-N 265.360 3.851 30 20 CHED CCCCCCCCC(=O)OC[C@H]1CC2(CCC2)C(=O)O1 791331386 XYWKBTSVBCJCAI-CQSZACIVSA-N 296.407 3.766 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CC[C@@H]2CCC[C@@H]2C1 797960102 IRAGQCNTXZEURM-YNEHKIRRSA-N 273.332 3.585 30 20 CHED N#Cc1ccc(N2CCC(C3CC3)CC2)cc1Cl 589874158 ZYOMSYDAEPAQAN-UHFFFAOYSA-N 260.768 3.838 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc3c(c2)CCCC3)C1 590049823 KFEXPUFMHUEESJ-GOSISDBHSA-N 268.404 3.691 30 20 CHED CC(C)c1cccc(C(=O)N2CCC(C)(C#N)CC2)c1 597486406 KMXBVEZDQFKMES-UHFFFAOYSA-N 270.376 3.576 30 20 CHED Cc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)c(C)n1 1319983525 HYFZUGTWADLBLW-LLVKDONJSA-N 269.323 3.882 30 20 CHED FCCC[C@@H]1CCCC1=NNCc1ccc(F)cc1 1322675291 FCZOIPUYBZRPEN-ZDUSSCGKSA-N 266.335 3.821 30 20 CHED Cc1ccc(Cc2nnc(-c3ccc(C#N)cc3)o2)cc1C 1322325734 QFWMAVALPBFJEX-UHFFFAOYSA-N 289.338 3.816 30 20 CHED C=CCC[C@H](NCCc1ccc(N(C)C)cc1)C1CC1 1324265214 CHGCFWNFTWCYKG-SFHVURJKSA-N 272.436 3.630 30 20 CHED C[C@@H]1CCN(C(=O)CC#Cc2ccccc2)[C@@H]2CCCC[C@H]12 1323870220 DOSANRGCXHUIGD-BHIYHBOVSA-N 295.426 3.855 30 20 CHED C=C(CC)CSCCC(=O)Nc1cccc(C#N)c1 1254118076 ZUDVETRJZFYEEE-UHFFFAOYSA-N 274.389 3.586 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc3c(c2)CCC3)c1 1325575217 UNLRKIQXBOQKGX-VURMDHGXSA-N 263.340 3.775 30 20 CHED N#Cc1ccc(NC(=O)C2(Sc3ccccc3)CC2)cc1 1322931905 PLLGLTWDQYYMHC-UHFFFAOYSA-N 294.379 3.822 30 20 CHED N#CC1(c2nnc(CCCc3ccccc3)o2)CCCC1 1257737945 WFJVUXWNQOVYDG-UHFFFAOYSA-N 281.359 3.580 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1scnc1C(C)C 1337760173 LXMVMFHIMAUCCA-GFCCVEGCSA-N 278.421 3.837 30 20 CHED Cc1nc2scc(C3CC3)n2c1C=NOC(C)(C)C 1336205520 PDPZSKTWVDFQMM-UHFFFAOYSA-N 277.393 3.731 30 20 CHED C=C(C)CCC(=O)Nc1ccc(NC(=O)NC(C)C)cc1 1335594925 CIBQBLYHIYZVFC-UHFFFAOYSA-N 289.379 3.511 30 20 CHED CC(=O)c1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1264068599 WLXYTHXXIPBLFU-KRWDZBQOSA-N 292.338 3.525 30 20 CHED CCCCC[C@H](C)CC(=O)[C@@H](C#N)c1nccn1CC 1344325677 BRAQJLIPIPXNNY-UONOGXRCSA-N 275.396 3.686 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C[C@@H](C)CC(C)(C)C 1263616745 HBVSLGCBJQNTGP-OLZOCXBDSA-N 275.396 3.542 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](CC)c1ccncc1 1346218153 JAVSNINANSRDKD-HZPDHXFCSA-N 287.407 3.673 30 20 CHED N#CCc1cccc(NCCC[C@@H]2CC2(Cl)Cl)n1 1349554919 UTXQFDPPBXJCGS-SNVBAGLBSA-N 284.190 3.534 30 20 CHED C=CCCC[C@@H](N)c1nc([C@H]2CCCc3ccccc32)no1 1262481074 GAQUFWHXTDOMSA-JKSUJKDBSA-N 297.402 3.894 30 20 CHED C[C@H]1C[C@@H](C(=O)OCc2cc(C#N)ccc2F)CC[C@H]1C 1265727602 QONLVDCVMNYJES-DYEKYZERSA-N 289.350 3.813 30 20 CHED C[C@H](CCC(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1347123090 IQMPCMQLSKIDIO-HIFRSBDPSA-N 296.345 3.981 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)[C@@H](CC#N)c1ccccc1 1275116892 OTHXPARUAHVTMP-HIFRSBDPSA-N 272.392 3.625 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 1355225691 NAZTZCXMAILFDC-XHDPSFHLSA-N 288.366 3.642 30 20 CHED C=C(CC)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 1350873191 OIYGTOJZHHZODN-UHFFFAOYSA-N 289.375 3.921 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccccc1CC#N 1445336752 XMVIRHFKFWXJNA-XJKSGUPXSA-N 284.403 3.697 30 20 CHED C[C@H](NCc1cccc2ncccc12)c1ccc(C#N)cc1 1460089628 MCJUBMQCPVMAJK-AWEZNQCLSA-N 287.366 3.957 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1 1466839481 JVRZNFHGTIKMSP-WBVHZDCISA-N 297.402 3.815 30 20 CHED CC[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)[C@H]1CC1(C)C 1536675091 JLCKMQZHLXSOKN-XHSDSOJGSA-N 284.403 3.625 30 20 CHED CCO[C@@H]1C[C@H](Nc2ccc(C#N)c(C)n2)C12CCCCC2 1559105057 GQJLWHXMZWMKQK-JKSUJKDBSA-N 299.418 3.802 30 20 CHED C=C(C)CNCc1csc(-c2ccsc2)n1 119643603 LUVIPFMRXCQDCS-UHFFFAOYSA-N 250.392 3.537 30 20 CHED C=C(Cl)CNCc1cc(C)c(OC(F)F)c(C)c1 1560349010 UCIJTNWWMRFBBL-UHFFFAOYSA-N 275.726 3.747 30 20 CHED CCCc1ccc(CNc2n[nH]c(C3CC3)c2C#N)s1 1560498901 DOIIEGHGXLZHOX-UHFFFAOYSA-N 286.404 3.785 30 20 CHED N#Cc1cc(=N[C@H]2CCCC[C@@H]2Cc2ccccc2)cc[nH]1 1642220907 DXHWRQUZBVBXLY-APWZRJJASA-N 291.398 3.589 30 20 CHED N#Cc1nc(N2CCc3ccc(Cl)cc32)ccc1Cl 1650826560 RTUWDWYLIBYYCR-UHFFFAOYSA-N 290.153 3.954 30 20 CHED C=CCCCC(=O)O[C@@H](c1ccc(C(=O)O)cc1)C(F)F 1588783043 VCPPTUWHILPDGS-ZDUSSCGKSA-N 298.285 3.591 30 20 CHED N#CCOc1cccc(NCCc2ccc(Cl)cc2)c1 1652158991 RCGUAKDTLWHKRG-UHFFFAOYSA-N 286.762 3.897 30 20 CHED COc1cccc(CN2CCc3c(C#N)cccc32)c1Cl 1653953360 MDSMEAHBVCNIMQ-UHFFFAOYSA-N 298.773 3.783 30 20 CHED Cc1cc(N(Cc2ccco2)Cc2ccco2)ncc1C#N 1650173774 LWGKRVHBZCEXFT-UHFFFAOYSA-N 293.326 3.655 30 20 CHED CC[C@@H]1CCC[C@@H](CNCc2ccc(OC)c(C#N)c2)C1 1657888322 GSRFKHXJXZGJQW-HUUCEWRRSA-N 286.419 3.873 30 20 CHED Cc1ccccc1C1(NC(=O)Nc2cccc(C#N)c2)CC1 1658033359 VBSFHKSIRDHSLH-UHFFFAOYSA-N 291.354 3.678 30 20 CHED Cc1ccc([C@H](C)NCc2cccc(C#N)c2F)s1 230635933 KNXLLYWRPISDBT-NSHDSACASA-N 274.364 3.918 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)CC1(CC#N)CC1 1657321299 VLTMLWSNUXICJX-CYBMUJFWSA-N 276.811 3.897 30 20 CHED CCCCCCCC(=O)N[C@H](C)C[C@@H](O)c1ccccc1 161728255 KKJGAVAJSRSDLU-NVXWUHKLSA-N 291.435 3.975 30 20 CHED C=C(C)CNC(=O)CCc1ccc(-c2ccccc2F)o1 160964850 BPMFYGUITUKVQM-UHFFFAOYSA-N 287.334 3.711 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1c(F)cc(C#N)cc1F 152033759 LTVZFMJPXJAJQZ-NSHDSACASA-N 294.345 3.781 30 20 CHED CCc1ccccc1C(=O)Nc1ccc(F)cc1OCC#N 153072511 ZIEMHFWKRROLHP-UHFFFAOYSA-N 298.317 3.543 30 20 CHED CC(C)Oc1cccc(CN(CC#N)C2CCCC2)c1 156596252 VTUINWVIOMZDME-UHFFFAOYSA-N 272.392 3.742 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1OC1CCCC1 156605614 QRDMTUQKDBATTH-UHFFFAOYSA-N 274.364 3.658 30 20 CHED Cc1ccccc1CC(=O)Nc1ccc(Cl)c(C#N)c1 48824286 GRAQZCBUGBGLMR-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CCCOc1ccc(Nc2nc(C)ccc2C#N)cc1 51786457 JNCKRVKXRYIMDU-UHFFFAOYSA-N 267.332 3.794 30 20 CHED CC(C)[C@@H](CNc1ccc(C#N)nc1)c1ccccc1 301508140 JRZDYMULTWGLCP-QGZVFWFLSA-N 265.360 3.805 30 20 CHED N#Cc1ccc(Cn2cc(C3CCC3)cn2)c(Cl)c1 402030550 VWYRWCFUQOPVNC-UHFFFAOYSA-N 271.751 3.724 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(Br)c1 310444103 XRLUQOCZWFMROI-UHFFFAOYSA-N 296.208 3.781 30 20 CHED CC[C@H](C)[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N 78834695 QQMHFPGOQZBVKW-IUCAKERBSA-N 271.286 3.819 30 20 CHED N#CC1(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCC1 329038446 ZMUQAEAEUIPNIP-MELADBBJSA-N 260.381 3.996 30 20 CHED COc1ccc(C#N)cc1CN1CCCCC(C)(C)C1 446075616 ZVGCIUGYSPHWNH-UHFFFAOYSA-N 272.392 3.579 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 358066164 NNLVPARDNWVOJZ-JQWIXIFHSA-N 296.823 3.629 30 20 CHED C[C@H](Nc1cccc2c1CCO2)c1cccc(C#N)c1 359035739 NBKQLZOEHJBWTQ-LBPRGKRZSA-N 264.328 3.666 30 20 CHED C[C@H](CC1CCCC1)Nc1ccc(OCC#N)cc1 709767369 IBSNILZDTBYHDD-CYBMUJFWSA-N 258.365 3.970 30 20 CHED N#Cc1cnc(N2CCC[C@@H]3CCCC[C@@H]32)c(Cl)c1 596571017 CTVKHLKOESNSRI-JSGCOSHPSA-N 275.783 3.766 30 20 CHED CC1(C)CCC(CNC(=O)C2(C#N)CCCCC2)CC1 383977461 GBQUNIBXKYGSEQ-UHFFFAOYSA-N 276.424 3.793 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C(F)(F)F)ccc1F 393818363 IYDZEZHDNVBAFB-SNVBAGLBSA-N 289.272 3.929 30 20 CHED CC1(C)CC(Nc2cccc(OCCCC#N)c2)C1 395185100 QUUKYBLGQBJDFV-UHFFFAOYSA-N 258.365 3.970 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 50355295 XKKVCIHHMHHWJT-SNVBAGLBSA-N 287.265 3.754 30 20 CHED C=C(Br)CN1CCc2sccc2[C@H]1C 52440140 SJRYVBXWODMXBU-SECBINFHSA-N 272.211 3.576 30 20 CHED CCOc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1 56341999 XHSBNRGBUXFUTG-UHFFFAOYSA-N 281.315 3.601 30 20 CHED N#CCc1cccc(NCC2CCC(F)(F)CC2)c1 417039773 OLYUUEPBYKMLIU-UHFFFAOYSA-N 264.319 3.990 30 20 CHED C[C@H](NC(=O)NCCCCC#N)c1ccc(F)cc1Cl 172497778 WGHFMWXNTFHKRE-JTQLQIEISA-N 297.761 3.533 30 20 CHED C=CCOc1cccc(NC(=O)NC(C2CC2)C2CC2)c1 56596093 CFWYTQMHTZPDLW-UHFFFAOYSA-N 286.375 3.562 30 20 CHED CC(C)C(=O)CSc1ccc(C#N)cc1Cl 178831034 NUEBPGZAOLXDJP-UHFFFAOYSA-N 253.754 3.529 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](CC1CCCC1)C(C)C 116175763 HSORWTCYAYBSPZ-HOCLYGCPSA-N 278.440 3.847 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cc3cc(F)ccc3s2)C1 179931770 RIBVPFMBUVFXBB-SKDRFNHKSA-N 289.331 3.889 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)OCCCC#N)oc12 64172764 ZKIVYOYAZHBTFV-UHFFFAOYSA-N 271.316 3.819 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(CSC)cc2)c1 103033411 IKFJPFTZUXFGMJ-UHFFFAOYSA-N 295.407 3.808 30 20 CHED Cc1cccc(C[C@H](NCCCCC#N)C2CC2)c1 178649265 BRKUBRMMNYDJQY-KRWDZBQOSA-N 256.393 3.600 30 20 CHED C[C@H](CC#N)OC(=O)Cc1coc2ccc3ccccc3c12 113691318 DPHLBJULKWSFNW-GFCCVEGCSA-N 293.322 3.974 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc(OCC(C)C)cc1 303249277 AIHWBTCHGPCUGR-UHFFFAOYSA-N 289.419 3.689 30 20 CHED C[C@H](OC(=O)c1cccc(F)c1F)c1ccc(C#N)cc1 175787328 LYGQHVSSSSTYFF-JTQLQIEISA-N 287.265 3.754 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(F)cc(F)c1 60677938 QLJXCLZREVRWAC-UHFFFAOYSA-N 293.338 3.855 30 20 CHED N#Cc1nccnc1NCC1(Cc2ccccc2)CCCC1 302050690 ORGORPYBNFDVMT-UHFFFAOYSA-N 292.386 3.563 30 20 CHED N#Cc1csc(C(=O)Nc2cncc(Cl)c2Cl)c1 180154472 ARNYEQODYDYQGW-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CCn1cc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c2ccccc21 179862253 HOTBBTIYYBDTQM-QWHCGFSZSA-N 282.343 3.510 30 20 CHED C=CCOc1ccccc1CNC(=O)c1cc(C)ccc1C 303513625 OYDGBFBUIGFWDA-UHFFFAOYSA-N 295.382 3.798 30 20 CHED CCc1cccc(N/C(N)=N/CCc2cccc(C)c2)c1 303866434 CJTSXSUBUACNBY-UHFFFAOYSA-N 281.403 3.527 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2c(C)c(C)ccc2[nH]1 410121944 LLADONTVJNDPQV-ZDUSSCGKSA-N 270.376 3.869 30 20 CHED N#Cc1ccc(/C=C2/Oc3c(Cl)cccc3C2=O)s1 176407978 OMYMGNZVTPVUAL-WUXMJOGZSA-N 287.727 3.889 30 20 CHED CC(C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1 20473165 ZCDXHZROPZYDKH-UHFFFAOYSA-N 280.327 3.598 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(OCC#N)cc2)o1 69752919 FRUYHFKGXVWNGP-CXAGYDPISA-N 296.370 3.595 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(C#N)cs2)c1 177033997 OVMQMPJKCRVOOB-UHFFFAOYSA-N 298.367 3.827 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1-c1nc(C)no1 179774972 DBXXWGTZTQOQAF-LBPRGKRZSA-N 299.374 3.520 30 20 CHED CO[C@]1(C)C[C@@H](Nc2c(C#N)cnc3ccccc23)C1(C)C 301420234 HVRZPXYPMKORAI-CRAIPNDOSA-N 295.386 3.722 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1c2ccccc2CC[C@H]1C 179640826 LILALAZVMTVZIR-RHSMWYFYSA-N 284.403 3.694 30 20 CHED COc1ccc(N/C(N)=N/CC2CCCCCCC2)cc1 303888293 OVXVNPDJCBTFDJ-UHFFFAOYSA-N 289.423 3.782 30 20 CHED C=CC[C@H](C(=O)NCCc1ccccc1F)c1ccccc1 186210789 XPILYNKPZSPEKU-KRWDZBQOSA-N 297.373 3.844 30 20 CHED N#Cc1csc(CNCCCc2c[nH]c3ccccc23)c1 177698206 GCVUTXPYGHWANN-UHFFFAOYSA-N 295.411 3.823 30 20 CHED Cc1ccc(O[C@H](C)CNCC(C)(C)CCC#N)cc1 174593816 URCYINOHRLEUOD-OAHLLOKOSA-N 274.408 3.682 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1 65704830 CKPBXUTWYNCEFY-UHFFFAOYSA-N 298.386 3.658 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)C1(C#N)CCC1 121439514 ZKXIBTPYRZDXSU-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCc1cccs1 187702534 YKCIWGHYQKKXNZ-CYBMUJFWSA-N 270.401 3.855 30 20 CHED COc1cccc(CNc2c(Cl)cccc2C#N)c1 301194814 JNIBSFHBEQZJSX-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CC)c1cc(F)ccc1F 77579450 RLPBLCCYAFKWCD-QMTHXVAHSA-N 282.334 3.680 30 20 CHED CC[C@@H](CC#N)OC(=O)Cc1cccc2ccc(OC)cc12 187976707 ZLSOOHOUUHOVHU-HNNXBMFYSA-N 297.354 3.626 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(-c2ccccc2F)o1 183826843 IXPOYRVOLYSNGB-LLVKDONJSA-N 286.306 3.508 30 20 CHED CC(C)Sc1ccc([C@@H](C)NC(=O)C(C)(C)C#N)cc1 504694335 GZNFTFKMSXRCHN-GFCCVEGCSA-N 290.432 3.914 30 20 CHED CC#CCCCC(=O)N(CC)c1ccc(C#N)c(Cl)c1 186087868 CSLYEZJOJMADKK-UHFFFAOYSA-N 288.778 3.758 30 20 CHED C=CCNC(=O)Nc1ccc(OCc2ccccc2)cc1 33911215 VEGXEFJUHZAAMC-UHFFFAOYSA-N 282.343 3.573 30 20 CHED Cc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2)c1 72047934 VFHWEAADNVGASD-BQYQJAHWSA-N 254.333 3.669 30 20 CHED C[C@H](N[C@H](C)Cc1ccc(O)cc1)c1cccc(C#N)c1 181696372 MWKZQVIEWVJLHM-KGLIPLIRSA-N 280.371 3.546 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C1CCCC1)C1CC1 181095123 XWNDFWYHYJGFKG-ZDUSSCGKSA-N 264.413 3.848 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 411350523 HPDORFQLRPPGAB-NKGKWGDASA-N 296.414 3.699 30 20 CHED C=CCCCCCOc1ccc(CC(=O)OC)cc1 447318216 QPEUIKNFLSYMFV-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CC(C)Cc1c[nH]c(C(=O)Nc2cccc(CC#N)c2)c1 412400048 JJUCBGFNZBJNIR-UHFFFAOYSA-N 281.359 3.532 30 20 CHED CC[C@H](CC#N)OC(=O)/C=C/c1nc2ccccc2s1 187940833 AJCYQSSLRXLEII-WSKFYRRCSA-N 286.356 3.545 30 20 CHED Cc1cc(NC2CC(C(F)(F)F)C2)c(C#N)cc1[N+](=O)[O-] 413297599 JJSIRXYYEMFRSH-UHFFFAOYSA-N 299.252 3.528 30 20 CHED CC[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1CC1(C)C 416844931 UGNBGJWWWKWFCP-GJZGRUSLSA-N 285.391 3.699 30 20 CHED CN(CC1CCCCC1)c1nc(C(F)(F)F)ccc1C#N 78833379 NDUSSOMAEOVHIN-UHFFFAOYSA-N 297.324 3.989 30 20 CHED CC[C@H]1CCCCN1C(=O)Nc1cccc(CC#N)c1 334741964 WAQDOFHFXBBVJO-HNNXBMFYSA-N 271.364 3.549 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)Cc1ccc(OC)cc1 182650634 CITGCHQLPPKBIS-CABCVRRESA-N 289.419 3.735 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)C(C)(C)C(=O)N2 414163723 JEAQLDDSCHXFJP-GFCCVEGCSA-N 299.418 3.507 30 20 CHED CO[C@H](C)CSCc1ccccc1C(C)(C)C#N 181150518 ZTOUVAFAWYRRTC-GFCCVEGCSA-N 263.406 3.756 30 20 CHED C=CCN1CCC(N[C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 187977307 TWKCKMRFSXUKEU-WOJBJXKFSA-N 298.474 3.737 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc2c(c1)CCCC2 72728308 UUKVWXCYSDEAGP-UHFFFAOYSA-N 276.339 3.689 30 20 CHED C=C(C)CS(=O)(=O)N1CCCCC[C@H]1c1ccccc1 189560790 SSNRRHPUTZQZTJ-INIZCTEOSA-N 293.432 3.510 30 20 CHED CCC(CC)N(CC(C)C)C(=O)NCC1(C#N)CCC1 419628313 POUQZBMCMCQQTC-UHFFFAOYSA-N 279.428 3.536 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)cc2O)cc1 224446718 GCASJKFLAOPIGU-POHAHGRESA-N 268.312 3.605 30 20 CHED N#CCC1(CNc2ccc(Br)c(F)c2)CC1 83854497 LRVWKDUXKVZEAK-UHFFFAOYSA-N 283.144 3.694 30 20 CHED Cc1ccc(-c2ncco2)cc1N=C(O)N1CCC12CCC2 328885135 NFODFPUCGDJQDO-UHFFFAOYSA-N 297.358 3.824 30 20 CHED C[C@@H]1CC[C@H](C(O)=Nc2ncn(C3CCCCC3)n2)C1 329570797 QLTLVNPVXQIZPX-NEPJUHHUSA-N 276.384 3.808 30 20 CHED C[C@]1(/C(O)=N/[C@H]2CSc3ccccc32)CCC(O)=NC1 328671071 NDFKFXNHRVKOQR-NHYWBVRUSA-N 290.388 3.547 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)o1 83987961 OEKOCGNMYMQKDB-ZZXKWVIFSA-N 284.311 3.509 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1CCc2cc(F)ccc21 49322273 RPIUEJLHNJBYAM-LLVKDONJSA-N 293.754 3.907 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(SC)cc1OC 192655984 BEUOIBKDGVLKTM-UHFFFAOYSA-N 294.420 3.847 30 20 CHED Cc1nccc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)n1 329618883 FBLJNSRCJWSGPZ-MELADBBJSA-N 273.380 3.980 30 20 CHED CC[C@H](C)Oc1cc(CN(C)[C@@H](C)CC#N)ccc1OC 132268306 KLPSMZAONNQDGF-KBPBESRZSA-N 290.407 3.606 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(C#N)cs1 84182268 OGUHSNAZQMTFGR-OAHLLOKOSA-N 296.395 3.906 30 20 CHED C=CCOc1ccc(C(=O)N2CCc3cc(F)ccc32)cc1 512520705 RNUHSQHRKFEENO-UHFFFAOYSA-N 297.329 3.593 30 20 CHED C[C@@H](CNCCC#N)Cc1ccc(C(C)(C)C)cc1 425988825 PLUMICLIUKYZJD-CQSZACIVSA-N 258.409 3.666 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(O)c(COC(C)C)c1 519731572 LENRHKUAQUBFTB-KRWDZBQOSA-N 291.391 3.858 30 20 CHED CCCCCCCCC(=O)Nc1cccnc1N(C)C 131004943 UCJSWESULGKJJM-UHFFFAOYSA-N 277.412 3.837 30 20 CHED COc1cc(SC)ccc1NCc1ccc(C#N)s1 194497931 SWPAFXXOIKUIRK-UHFFFAOYSA-N 290.413 3.962 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1cc[nH]c1CCC 421899827 MPEZGBGPCAOJEX-MRXNPFEDSA-N 296.414 3.884 30 20 CHED C=C(C)COc1cc(CNc2cc(C)ccn2)ccc1OC 131037899 FEQDCJIRNAISCE-UHFFFAOYSA-N 298.386 3.966 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(CN(C)CCCC)CC1 135056934 SSHKIZNZUYVUFO-SFHVURJKSA-N 294.483 3.559 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H]1C[C@H]1c1cccs1 424337205 ZEDGOKFQWISVOJ-PDWCTOEPSA-N 260.406 3.522 30 20 CHED C=C(C)CCc1noc(CCc2ccc(C)s2)n1 515561563 MWMDSGVWLMGQDK-UHFFFAOYSA-N 262.378 3.733 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(OC(C)(C)C)cc1 513479781 RCBKKRKHKGQFSB-INIZCTEOSA-N 274.364 3.742 30 20 CHED C=CCSCCNC(=O)N[C@@H](C)c1ccccc1Cl 194560764 HNQAMHCFWKFONZ-NSHDSACASA-N 298.839 3.619 30 20 CHED C=CC[C@@H](C)N[C@@H](c1ccc(OC)cc1F)C1CC1 421844989 PIMIIMSZKJTDEG-BDJLRTHQSA-N 263.356 3.840 30 20 CHED C=C(C)[C@@H](NC1CCC(CN)CC1)c1ccc(F)c(F)c1 423054431 UJYAUKJOOYSRLT-MKTAYPAQSA-N 294.389 3.689 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1cccc(C)c1 336367484 BRBQRGVTFVBXMR-UHFFFAOYSA-N 270.357 3.595 30 20 CHED N#CCc1ccc(C(=O)N2CCC=Cc3ccccc32)cc1 336589365 UDGPDOYYEGEVDW-UHFFFAOYSA-N 288.350 3.816 30 20 CHED N#CCCC1CCN(c2nccc3ccc(F)cc23)CC1 335379196 KMQAOWUKAYVRLW-UHFFFAOYSA-N 283.350 3.894 30 20 CHED COc1ccccc1[C@@H](C)Sc1cccc(C#N)n1 339215483 CGJLCPGOKJWBBO-LLVKDONJSA-N 270.357 3.815 30 20 CHED CN(C)c1ccc(CN(CCC#N)CC(C)(C)C)cc1 93101073 UMUANPLJGHPGPT-UHFFFAOYSA-N 273.424 3.514 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 517148544 JWZADHZAEYVSCW-YOEHRIQHSA-N 282.387 3.872 30 20 CHED CN(CCc1cccs1)c1ccc(Cl)cc1C#N 90801920 ZXHAFGMDLPJXDQ-UHFFFAOYSA-N 276.792 3.952 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](C3CC3)C2)c1 333594843 BZBRGVVISAIWNV-OAHLLOKOSA-N 283.375 3.521 30 20 CHED CCN(C(=O)C[C@@H](C)SC)c1ccc(C#N)c(Cl)c1 91207190 SWJCHLUZDJDOJM-SNVBAGLBSA-N 296.823 3.706 30 20 CHED C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCCCC#N 338015024 UZBIWDKYFUUABE-LBPRGKRZSA-N 284.325 3.920 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@]1(C#N)CC12CCCC2 333208661 PEWOQKUSUJKKTF-APWZRJJASA-N 294.398 3.573 30 20 CHED C[C@@H]1CN(c2ccc(Cl)cc2C#N)CCC1(F)F 291080712 ICTYFCZFCWKJBY-SECBINFHSA-N 270.710 3.693 30 20 CHED C=CCCOCCN[C@@H]1CCCOc2c(Cl)cccc21 90883728 ZWRGMRPFQDQKMC-OAHLLOKOSA-N 295.810 3.736 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCC(C)(C)CC=C 432367429 KNSNUSWIESHRKV-CYBMUJFWSA-N 252.402 3.633 30 20 CHED Cc1cc(NC(=O)C[C@@H]2CC[C@H](C)C2)c(C#N)cc1N(C)C 331250175 ZAKDGGORLJKQAG-GXTWGEPZSA-N 299.418 3.698 30 20 CHED C[C@@H](C#N)C(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 335998320 QMLBMAIOCONFBV-IUCAKERBSA-N 285.174 3.672 30 20 CHED Cc1cc(C)nc(NC(O)=Nc2cnn([C@H](C)C3CC3)c2)c1 330060040 MALFNJRMKHOHQH-GFCCVEGCSA-N 299.378 3.524 30 20 CHED C=CCC[C@H](O)CN1CC[C@H](c2ccccc2)C[C@H]1C 439328665 MNBGOHALFXGSCU-NJAFHUGGSA-N 273.420 3.582 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1ccnc2c(OC)cccc12 435600606 DQPGULARYAXTCW-UGSOOPFHSA-N 298.386 3.637 30 20 CHED C=CCOc1ccc(CNC[C@H](OC)C(C)C)cc1Cl 525290232 HDHSNAYZBJBZNI-INIZCTEOSA-N 297.826 3.665 30 20 CHED COCc1ccc(NCc2ccsc2C)cc1C#N 527763892 OTXDEDOFIBHHHM-UHFFFAOYSA-N 272.373 3.687 30 20 CHED C=CCC[C@@H](NCC1(CO)CC(c2ccccc2)C1)C1CC1 433080963 FOKWNXBYORTEAU-IOJLRTSASA-N 299.458 3.877 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 430991860 RDUUDPOSUBRHRJ-DOPJRALCSA-N 294.398 3.960 30 20 CHED Cc1ccccc1O[C@H](C)CNc1snc(C)c1C#N 342263389 FQUCRVZDSBBAFV-LLVKDONJSA-N 287.388 3.511 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(C)c1cccc(C#N)c1 525995399 CNGLYQGWDVXWNW-HOCLYGCPSA-N 270.376 3.737 30 20 CHED C=C(CNCc1ncc(CC)s1)c1ccccc1 344127437 SKLXZEOTXGQGRH-UHFFFAOYSA-N 258.390 3.509 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] 293748955 KCIVDPUFVOAISP-UHFFFAOYSA-N 296.754 3.580 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 604900796 KNNNZNNRFGERMP-SMLCLMEVSA-N 290.451 3.951 30 20 CHED Cc1csc(NC(=O)CSc2ccccc2)c1C#N 344885328 BQLASBZONHBQBE-UHFFFAOYSA-N 288.397 3.659 30 20 CHED N#CCc1ccccc1NC(=O)c1cncc2ccccc12 344407802 ZIFDXLHCLSAHJX-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CC(C)(C#N)CCSCc1ncc(Cl)s1 342022587 QFXNKIFOSBNKNZ-UHFFFAOYSA-N 260.815 3.970 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl 435585056 PKFSOIMSBGPUNC-QMTHXVAHSA-N 296.754 3.641 30 20 CHED Cc1cccc(C)c1OC[C@@H](C)NC[C@@H](C)CCC#N 602521241 LKKFBGKIAIROGD-XJKSGUPXSA-N 274.408 3.600 30 20 CHED N#CC[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 341695060 BKQBBIMSLZEILS-XYJFISCASA-N 296.414 3.723 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NCc1cccc(C#N)n1)CC2 602625926 VPEBFNQYFKGGTN-LJQANCHMSA-N 291.398 3.854 30 20 CHED Cc1ccc(CN(C)Cc2cn3ccccc3c2C#N)s1 341579464 VWIUIARQOQYFQL-UHFFFAOYSA-N 295.411 3.813 30 20 CHED Cc1ccc(NC(=O)CON=Cc2ccccc2C)c(C)c1 254773582 DXMZOWYRUHSKJC-UHFFFAOYSA-N 296.370 3.601 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(OC(C)C)c1 529446528 DFVGOMFXNXROMR-UHFFFAOYSA-N 274.364 3.742 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(Cl)c(F)c2)cn1 255024790 GPUUAQZCPVNCRW-XQRVVYSFSA-N 278.714 3.592 30 20 CHED C[C@@H](CCC#N)CN(C)[C@H](C)c1ccc(F)c(F)c1 602437478 YSVYYIIKOYOVSM-NWDGAFQWSA-N 266.335 3.897 30 20 CHED C=CC[C@H](C)NC(=O)N(Cc1ccccc1)CC(C)C 604900801 KYRTXEBPKURBOE-HNNXBMFYSA-N 274.408 3.819 30 20 CHED C=CC[C@H](C)NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 604881086 RZGYAZOENANORH-QKPAOTATSA-N 281.440 3.545 30 20 CHED CCC(C)(C)NC(=O)c1cn(CCCC#N)c2ccccc12 443915755 WXGCQJAYRCYMNW-UHFFFAOYSA-N 297.402 3.863 30 20 CHED C=CCOc1cccc(CN2CCC(C(F)F)CC2)c1 539834501 DCOIXAGOFLENOT-UHFFFAOYSA-N 281.346 3.729 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCC(C)(C)CC1 537269601 BHTFKFUFTTWWQA-CQSZACIVSA-N 266.429 3.953 30 20 CHED C=C(C)COCCN[C@H]1CCC[C@@H]1c1ccc(C)cc1 537962408 XYQNABDWOJWBLM-MSOLQXFVSA-N 273.420 3.813 30 20 CHED C=C(C)[C@H](CC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC 535151512 HBBCMVVCAJGSHA-VKJFTORMSA-N 293.451 3.785 30 20 CHED C=CCC[C@@H](N[C@H](C)CN(CC)CC)c1ccco1 353513117 FAPCSGCKIYSSKE-HUUCEWRRSA-N 264.413 3.607 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C[C@@H](C)CCC#N 602473370 GJXPAWJFMCPJNP-RDJZCZTQSA-N 258.409 3.879 30 20 CHED C=CCCCc1nc([C@@H]2CCc3ccccc32)no1 356599423 PLZXKMHJNOQYRT-CQSZACIVSA-N 254.333 3.656 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1 532434913 BJQMCBNPRHIETQ-UHFFFAOYSA-N 293.370 3.697 30 20 CHED N#C[C@H](NC(=O)[C@H]1CC12CCCC2)c1ccc(Cl)cc1 530862764 KINXGWPWPOSMCG-KGLIPLIRSA-N 288.778 3.601 30 20 CHED C=CCCOc1c(C)cc(Br)cc1[N+](=O)[O-] 531593276 AYMBMOSPORFKDH-UHFFFAOYSA-N 286.125 3.621 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C(CC(C)C)CC(C)C 448725863 QIGZMDRAPJHJFV-CQSZACIVSA-N 266.429 3.703 30 20 CHED C=CCCC[C@@H](C)N1CCN(c2ncccc2Cl)CC1 537017479 ZSMVROGWFVDASN-CQSZACIVSA-N 293.842 3.602 30 20 CHED CCCCCCCCNC(=O)N(C)CCc1nccs1 269963812 VDPSHWIERQUDBD-UHFFFAOYSA-N 297.468 3.688 30 20 CHED N#C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)C1CCCCC1 610502356 WJQYSBVPERECJG-SJLPKXTDSA-N 296.414 3.695 30 20 CHED C=CCCO[C@@H](C)c1nc(C2(OC)CCCCC2)no1 351145053 OISXUNADOUOADN-LBPRGKRZSA-N 280.368 3.529 30 20 CHED C=CCOc1ccc(C(=O)N(CC)[C@H](C)CC)cc1OC 616984626 LEVJZZNLVIKLGU-CYBMUJFWSA-N 291.391 3.521 30 20 CHED C=CC1CCN(Cc2ccc(OCCC)c(OC)c2)CC1 538730640 AUTPFEMPLUMWNC-UHFFFAOYSA-N 289.419 3.882 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CC23CCC3)cc1C(F)(F)F 610749037 ZJKVJUARLQNMPH-GFCCVEGCSA-N 294.276 3.706 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1CC(C)C 539388510 NFLNECHOXSYKJI-LSDHHAIUSA-N 266.429 3.951 30 20 CHED C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 611618152 ANKRXXSREJQROZ-WFASDCNBSA-N 270.376 3.562 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 458591088 YIGHLXKIFZZFDF-BRWVUGGUSA-N 299.418 3.765 30 20 CHED C[C@@H](Nc1cc(C#N)ncn1)c1ccc(Cl)c(Cl)c1 617934535 JPAPKHLAGPIJIF-MRVPVSSYSA-N 293.157 3.828 30 20 CHED CCC(C)(C)CC(=O)N(CCC#N)CCC(C)C 362601342 IHFWMZJIPVVJGV-UHFFFAOYSA-N 252.402 3.601 30 20 CHED CC(C)[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)[C@@H]1C(C)C 454339485 DKZWQWFCYVQOSC-IAGOWNOFSA-N 299.418 3.897 30 20 CHED CC(C)c1ncsc1NC(=O)NCC(C)(C)CCC#N 455866232 NQQIEDIETLUBQQ-UHFFFAOYSA-N 294.424 3.718 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCC1(O)CCCCC1 360838117 AWFHJRCCEZCBMX-GOSISDBHSA-N 298.430 3.611 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccoc2C(C)C)n1 361648648 TXGQGZJHBWGRDW-NSHDSACASA-N 274.345 3.658 30 20 CHED CC(C)[C@@]1(C)C[C@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 458102934 CLZWKMHWVFNXGF-VQIMIIECSA-N 298.430 3.678 30 20 CHED CCN(CCC#N)C(=O)Nc1c(C)cc(C)cc1Cl 610557104 IZYIGUSZGYBTBR-UHFFFAOYSA-N 279.771 3.724 30 20 CHED CCSCCSCc1ccc(OCC#N)cc1 273631454 QIWCRGCLZNQGRF-UHFFFAOYSA-N 267.419 3.575 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1-n1nc(C)cc1C 454403069 DAYRTTQXBWFCRQ-UHFFFAOYSA-N 298.390 3.577 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@@H](c2ccccc2)C1 455382530 JNILLHWCRWFWNU-MRXNPFEDSA-N 286.419 3.788 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)CCCC1 456253185 NJXVQEGHQMJNSL-JKSUJKDBSA-N 273.420 3.770 30 20 CHED C=CCN(C(=O)c1coc2ccccc12)C(C)(C)C 622944408 QKWOVKDMWNXZFI-UHFFFAOYSA-N 257.333 3.860 30 20 CHED C=CCC1(C(=O)N2CCC3(CC(OCC)C3)C2)CCCC1 451712515 SKPZSNCYOFJMHU-UHFFFAOYSA-N 291.435 3.541 30 20 CHED CN(C[C@@H]1OCCc2ccccc21)CC(C)(C)CCC#N 271149665 SWWIXXBEPUYUBL-KRWDZBQOSA-N 286.419 3.562 30 20 CHED C=CCCCCNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 274636498 JLAZPHASYTXARA-UHFFFAOYSA-N 299.418 3.835 30 20 CHED C#CCCCCC(=O)Nc1ccc(CN(C)C)c(Cl)c1 279977535 JSHUSWKIMLPIRG-UHFFFAOYSA-N 292.810 3.534 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(C)(C)CC#N 457994073 NQLYUWPWIIYKEL-LBPRGKRZSA-N 292.810 3.575 30 20 CHED CC(C)CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452654017 CFBUFCRSDQUIAO-UHFFFAOYSA-N 274.364 3.720 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)CC(C)(C)C#N)c1C 279298336 QDGGSRKJZFCJLG-INIZCTEOSA-N 284.403 3.907 30 20 CHED C=CCOCCCN1CCC[C@H]1c1ccc(F)cc1F 451969826 KZLSBXIULYYIHG-INIZCTEOSA-N 281.346 3.694 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2cccc(C)c2)no1 273810984 ZHXRBQIXINYXCP-ZDUSSCGKSA-N 272.348 3.623 30 20 CHED C#CCCCC(=O)Nc1cc(-c2ccccc2)cnc1C 373784664 BIXUBCDHAOVMTL-UHFFFAOYSA-N 278.355 3.799 30 20 CHED CCCOc1ccc(CNc2cc(C#N)ccc2OC)cc1 541854453 IVQOULGQYLKQFT-UHFFFAOYSA-N 296.370 3.968 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C)cc1C)OCC 270151456 VWHSBNZWDJFSHL-OAHLLOKOSA-N 261.365 3.613 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 462041818 XNZXXBQSQQCNOI-YXJHDRRASA-N 298.430 3.993 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@]1(C)CCc2ccccc2C1 466546771 ZFUOBELDCLVVNO-SJLPKXTDSA-N 271.404 3.653 30 20 CHED C=CCN(C(=O)[C@@H]1CCC(=O)c2ccccc21)C(C)(C)C 622945413 COCMQCRRTHULPS-OAHLLOKOSA-N 285.387 3.560 30 20 CHED CC#CCCCC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 466427005 YNSYEYGQARZQDW-GFCCVEGCSA-N 291.341 3.604 30 20 CHED CC#CCCCC(=O)N1CC[C@H]1c1ccc(Cl)cc1 274268221 AHQYTRBSLDHWLB-HNNXBMFYSA-N 275.779 3.807 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N(C)[C@H](C)CC 460791095 JHFFRWAHVUYUPK-CQSZACIVSA-N 284.407 3.756 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](C2CCOCC2)C1 378286851 UEMLSJQBACJPCR-MRXNPFEDSA-N 281.440 3.622 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC3(CCC3)C2)cc1 280023146 UGSRCWDEGZFFLH-UHFFFAOYSA-N 282.387 3.504 30 20 CHED CC#CCCCc1nc(-c2ccc(F)cc2C)no1 289223751 UOBAYZWFDTVJTK-UHFFFAOYSA-N 258.296 3.530 30 20 CHED C=CCC1(C(=O)Nc2ccccc2COC)CCCC1 460025370 RJWPJMYEPAPYCI-UHFFFAOYSA-N 273.376 3.908 30 20 CHED CCCCN(C)c1c(C#N)cnc2ccc(Cl)cc12 461444663 LZMVBBZGRGCHNR-UHFFFAOYSA-N 273.767 3.996 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC(CC)(CC)CC1 466367546 WGHMLVCCKZDTBA-CQSZACIVSA-N 266.429 3.953 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)c(F)c1Cl 280418038 IKBSHIZVCSCAOU-OAHLLOKOSA-N 296.773 3.846 30 20 CHED COc1ccc([C@@H](C)CCNc2ccnc(C#N)c2)cc1 553416431 KQRXLWZHKAIQDK-ZDUSSCGKSA-N 281.359 3.568 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1ccc(F)c(C#N)c1 556425832 SRNONFDVPVJRBI-CQSZACIVSA-N 276.355 3.786 30 20 CHED C=CCOc1cccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1 554880311 FLLWPKMGRPNETE-SLFFLAALSA-N 291.394 3.679 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(C(C)=O)ccc1Cl 637009398 GXPFCBDLCRXFJK-UHFFFAOYSA-N 292.766 3.811 30 20 CHED C=CCOCCCN1CC(C)(C)[C@@H]1c1cccs1 554310987 PAFQREZYNWJANN-AWEZNQCLSA-N 265.422 3.724 30 20 CHED C=CCC(C)(C)C(=O)NCCc1cc2ccccc2o1 293101855 HBERWUOAQUXNCD-UHFFFAOYSA-N 271.360 3.694 30 20 CHED CC[C@H](N[C@H]1COc2ccccc2C1)c1ccc(C#N)cc1 556064084 RZBZBVNZFSKJPF-MSOLQXFVSA-N 292.382 3.603 30 20 CHED CC(F)(F)c1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 297973253 QCIUIDDSDXFVNS-HNNXBMFYSA-N 294.345 3.856 30 20 CHED C=CCCCCCCCCNC(=O)c1c[nH]c(C#N)c1 807843539 AUHKAMKBZBRSTD-UHFFFAOYSA-N 273.380 3.533 30 20 CHED N#Cc1cc(Cl)ccc1COc1ccc2nccnc2c1 478840566 SPZQVVRTQADKGY-UHFFFAOYSA-N 295.729 3.734 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2c(c1)CCCCC2=O 564138919 YVRILEJXLVBZQY-HNNXBMFYSA-N 285.387 3.680 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(C(C)(C)C2=CCCCC2)no1 565463576 WQKZFSVETYIZLO-ZBEGNZNMSA-N 271.364 3.649 30 20 CHED Cc1ccc(C)c(C(=O)N2CCCc3cc(C#N)ccc32)c1 297669383 FWNHNHVDDZLAES-UHFFFAOYSA-N 290.366 3.768 30 20 CHED CC#CCCN(C)[C@H](C)Cc1ccccc1C(F)(F)F 568546578 BIAIWWURISNDBT-CYBMUJFWSA-N 283.337 3.982 30 20 CHED CC[C@@H]1CCC1=NNC(=S)Nc1cc(C)ccc1F 807965811 LDWAKLWAMJBQJO-SNVBAGLBSA-N 279.384 3.597 30 20 CHED CC[C@](C)(C#N)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 701316016 JUHFRUBMPJJBSW-ZRUQZJFASA-N 297.185 3.815 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc2c(c1)OC(=O)C[C@H]2C 298659671 OWGHKJRLRWESTC-LLVKDONJSA-N 288.343 3.607 30 20 CHED N#Cc1sc(NCCOC2CCCCCC2)nc1Cl 804463660 IBVBOSICNHYSKU-UHFFFAOYSA-N 299.827 3.819 30 20 CHED C=CCCCC(=O)Nc1nc2c(COC)cccc2s1 479677329 MNSDXCATRYRUNW-UHFFFAOYSA-N 290.388 3.738 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCC[C@H](F)C1 564903104 GUOMZWOHSGVGIQ-UWVGGRQHSA-N 287.260 3.665 30 20 CHED CCOC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)C(C)C 560001856 COLBVOPIOJWTHO-IAGOWNOFSA-N 274.408 3.660 30 20 CHED C=CCN(CCc1ccc(F)cc1Cl)C1CC1 564536513 IOMCVAOHWLJXLT-UHFFFAOYSA-N 253.748 3.672 30 20 CHED Cc1ccccc1-n1cc(/C=C2/CCCC(C)(C)C2=O)nn1 806573336 IGOPPQSLQFQBNW-KAMYIIQDSA-N 295.386 3.738 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1ccc(C#N)s1 470480515 VHTOXQXBXCFGER-LLVKDONJSA-N 276.405 3.708 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CC[C@@H](C)C1 474126754 UJADXJYYGJPCNI-OLZOCXBDSA-N 275.417 3.883 30 20 CHED CC(C)(CNC[C@@H](C#N)CCC#N)c1ccccc1Cl 569034467 ASCGYHKVRXJQTN-CYBMUJFWSA-N 289.810 3.651 30 20 CHED CCCCOc1ccc(NCCO[C@@H](C)C#N)c(C)c1 802740709 HVHXMECCIUANFW-AWEZNQCLSA-N 276.380 3.515 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N[C@]1(C#N)CC1(C)C 813300997 TUHDEAZMCZZWCJ-KXKDPZRNSA-N 288.778 3.552 30 20 CHED c1ccc(C[C@H]2CCC(=NNCCc3ccccn3)C2)cc1 814924797 BSUQBFFHNXKIQO-QGZVFWFLSA-N 293.414 3.613 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 485070344 SCPLZPVDZHCODF-CQSZACIVSA-N 278.355 3.684 30 20 CHED C=CCN(CCc1ccncc1)CC1CCCCC1 484689288 LPAIPPCOHQIMFE-UHFFFAOYSA-N 258.409 3.692 30 20 CHED Cc1ncsc1/C=C1/Oc2cccc(Cl)c2C1=O 811699035 OFNINJIZVGGOHB-BJMVGYQFSA-N 277.732 3.721 30 20 CHED C[C@H]1CCc2c(C(=O)OC3(CC#N)CCC3)csc2C1 810855348 ISCOWZVKHNDTFV-NSHDSACASA-N 289.400 3.866 30 20 CHED CCC[C@](C)(CC)C(=O)N[C@@H](C#N)c1ccccc1F 483974568 DQKDTMQJGXPICM-HOCLYGCPSA-N 276.355 3.723 30 20 CHED C=CCCC1(C(=O)Nc2ccc(F)cc2OCC)CC1 483331656 STHXUSIVYLIMSW-UHFFFAOYSA-N 277.339 3.909 30 20 CHED Cn1c(NN=C2CC(c3ccccc3)C2)nc2ccccc21 814807205 KNZBZGUDJSDUFK-UHFFFAOYSA-N 290.370 3.919 30 20 CHED C[C@@H](C(=O)OCCCCC(C)(C)C#N)C(C)(F)F 815489853 FKXKYOXXFZPPAG-JTQLQIEISA-N 261.312 3.541 30 20 CHED C=CCCC(=O)OCCCOc1ccc(C)c(C)c1 726651027 VROINPIBWKPAMR-UHFFFAOYSA-N 262.349 3.582 30 20 CHED N#Cc1c(F)cccc1COc1cc(F)ccc1F 488221860 NKPCJDNHJITGRR-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CCCCCCCCC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 819263390 YRFSPVRAWKZJSB-QZTJIDSGSA-N 293.451 3.907 30 20 CHED CCCCC[C@@H](C)NC(=O)Nc1ccc(F)cc1C#N 818377838 LUFCFWACUUBWNF-LLVKDONJSA-N 277.343 3.788 30 20 CHED CC(C)(C=NOC1CCC1)[C@H](C[N+](=O)[O-])c1ccccc1 812237316 UJJVBKGVEFGGKE-OAHLLOKOSA-N 290.363 3.628 30 20 CHED C[C@H](C=NNc1nc(O)c2ccccc2n1)C1CCCCC1 814869357 XQMDCFGBQYNUHS-GFCCVEGCSA-N 298.390 3.950 30 20 CHED Cc1ccccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 727640284 FCBJNOCJYCAUMZ-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED N#Cc1ccc(Cl)cc1NCCc1ccccc1O 572774689 XCLLOLIKPQBBST-UHFFFAOYSA-N 272.735 3.572 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc(C#N)cc2F)c1 728574719 NEOIBZAHNOTHRQ-UHFFFAOYSA-N 278.330 3.705 30 20 CHED C=CC[C@@H](Cc1ccccc1)n1cc(C2CC2)nn1 656457540 NYXOEFVTJJOTDS-HNNXBMFYSA-N 253.349 3.515 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCCC(F)(F)C1 652626165 KPMWTYNLUOSXBM-LBPRGKRZSA-N 298.381 3.603 30 20 CHED CCc1ccc([C@@H](C)C(=O)OCCCCC#N)cc1 727916685 LLZQWOVBFSHYPZ-CYBMUJFWSA-N 259.349 3.590 30 20 CHED C=CC(C)(C)C(=O)N1CC=C(c2ccc(C)cc2)CC1 822282202 VAIPYAPHNBFHKX-UHFFFAOYSA-N 269.388 3.823 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1Cl 728672118 MVFGPVRRSUNLSI-UHFFFAOYSA-N 285.730 3.877 30 20 CHED CCCOC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728372514 NVCLYACNMUZPCI-UHFFFAOYSA-N 282.343 3.533 30 20 CHED CC(C)(C#N)c1ccc(-c2nc(-c3ccccn3)no2)cc1 579403894 SLQARRZDNSSXRG-UHFFFAOYSA-N 290.326 3.600 30 20 CHED C=CCCOC(=O)CCc1ccc(OC(F)(F)F)cc1 729074262 NMUVGLSBSUKREM-UHFFFAOYSA-N 288.265 3.637 30 20 CHED C#CCOc1ccc(NC(=O)[C@H](CC)CC(F)(F)F)cc1 823195599 DMSGNQJXGIUHRZ-LLVKDONJSA-N 299.292 3.616 30 20 CHED C#Cc1cccc(N(CC[C@@H](C)O)Cc2cccs2)c1 828281835 WWBBASVDTWRFPS-CQSZACIVSA-N 285.412 3.507 30 20 CHED N#Cc1cc(F)ccc1COC(=O)C1CCCCCC1 728627523 RXEYKQMYTXDSSD-UHFFFAOYSA-N 275.323 3.711 30 20 CHED N#Cc1ccc(CSc2nnc(C3CC3)s2)s1 582855969 HJYMWBGTSKIFHL-UHFFFAOYSA-N 279.415 3.641 30 20 CHED CC[C@@H](NCC1(CC)CCOCC1)c1cccc(C#N)c1 902830005 IQZFJTAULOFSHO-QGZVFWFLSA-N 286.419 3.806 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1cccnc1)C2=O 588489045 MBXHAHZNZGRZAI-GDNBJRDFSA-N 263.340 3.911 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(CCC#N)CC(C)(C)C 494414992 WYWANDIUQMNBOW-AWEZNQCLSA-N 278.440 3.991 30 20 CHED C=C(Cl)COC(=O)c1ccccc1NC(=O)C(C)(C)C 733502554 XPGUPCMEEJWSEC-UHFFFAOYSA-N 295.766 3.581 30 20 CHED C=CCC1(NCCC(=O)N(C)c2ccccc2)CCCC1 661852097 JXPMJDSCKIOUDX-UHFFFAOYSA-N 286.419 3.518 30 20 CHED C=CCC1(C(=O)OCC2CCC(=O)CC2)CCCCC1 838153141 CMFCMLLPWVAPKU-UHFFFAOYSA-N 278.392 3.816 30 20 CHED Cc1ccc(C=NOCc2noc(-c3cccs3)n2)cc1 731445704 UXRZGGSGCHFCHO-UHFFFAOYSA-N 299.355 3.657 30 20 CHED CC(C)(CC#N)COC(=O)/C=C\c1ccc2ccccc2n1 588467275 BJMNZNFYBMUQLY-KTKRTIGZSA-N 294.354 3.731 30 20 CHED CC(=NNc1ccc(C(=O)O)c(Cl)c1)c1occc1C 833386455 GOLHEFJNQFMEQW-UHFFFAOYSA-N 292.722 3.776 30 20 CHED C=C[C@H](CC(=O)OCCc1ncccc1C)c1ccccc1 835579889 GQJXBDKWFCLASL-MRXNPFEDSA-N 295.382 3.836 30 20 CHED C=CCCCCCN[C@@H](C(=O)O)c1ccc(C)c(C)c1 905381142 PHYXWVRQQZNJFP-MRXNPFEDSA-N 275.392 3.765 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCc1ccc(C#N)c(C)c1 838115737 CIWIUGOSQPCKOV-GFCCVEGCSA-N 299.292 3.889 30 20 CHED C[C@@]1(COC(=O)C2(C#N)CCCCC2)CC1(Cl)Cl 837465689 ICZITWKXYIUGPY-NSHDSACASA-N 290.190 3.588 30 20 CHED CC(C)(C)c1nc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cs1 839049099 HIOINDQYHMXXPT-WDEREUQCSA-N 292.404 3.680 30 20 CHED CC(C)C#CC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 832547758 KNBVXCRBFHGLFS-QGZVFWFLSA-N 269.388 3.573 30 20 CHED CC1(C)CCc2cc(CNCCCCC#N)ccc2O1 731679220 ZGVFXYJSPDNVBP-UHFFFAOYSA-N 272.392 3.574 30 20 CHED CC(C)CCC(=O)N(CC#N)c1ccc(Cl)cc1 592651393 VFDKVRTWELPQNT-UHFFFAOYSA-N 264.756 3.633 30 20 CHED C=CCCCCN[C@@H](CCO)c1ccc(Cl)cc1 581113011 VIYZIIXPSORYFQ-HNNXBMFYSA-N 267.800 3.709 30 20 CHED CCC(C=NNc1cccc(C(F)(F)F)n1)CC 739422394 UKGBEVUIFVHEEQ-UHFFFAOYSA-N 259.275 3.934 30 20 CHED C#CCN(C(=O)Nc1ccc2ccn(CCC)c2c1)C1CC1 836418586 KMPCETGTBZWGLH-UHFFFAOYSA-N 295.386 3.681 30 20 CHED C=CCN(CC1CCCCC1)C(=S)NCC(C)C 732624557 CTIXJHRGXOYUGV-UHFFFAOYSA-N 268.470 3.585 30 20 CHED N#Cc1ccc(C(=O)OCc2csc3ccccc23)nc1 730894174 CXBXIBWOUVWNSM-UHFFFAOYSA-N 294.335 3.525 30 20 CHED Fc1ccc2c(c1)CCC2=NNCCCOc1ccccc1 734299801 UVELFDVQAJBGNE-UHFFFAOYSA-N 298.361 3.535 30 20 CHED C=CCN(CC1CCCCC1)C(=S)N[C@H](C)CC 732625095 IUHMEGWYFBONBS-CYBMUJFWSA-N 268.470 3.728 30 20 CHED N#Cc1ccc(C(=O)OC[C@H]2CCCCC2(F)F)cc1 835646862 LUUZANCDEFWGTE-CYBMUJFWSA-N 279.286 3.541 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2cccc([N+](=O)[O-])c2)o1 732761885 PEHPBGSFXKBRAB-IINYFYTJSA-N 285.303 3.757 30 20 CHED Cc1cc(C)cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 839044318 PVMMUTPOTQVUHJ-DZGCQCFKSA-N 257.333 3.543 30 20 CHED C[C@@]1(CN[C@H]2CCc3ccc(C#N)cc32)CC1(Cl)Cl 834885754 XTVOFAFDEPEYTO-KBPBESRZSA-N 295.213 3.719 30 20 CHED C=C[C@H](OC(=O)c1coc2c1C(=O)CCC2)C(C)(C)C 835390470 CZEGDVZQYFLECW-ZDUSSCGKSA-N 276.332 3.556 30 20 CHED C=C(CNC(=O)CCC1CCCC1)c1ccccc1 672482109 RMXAWYFWQJZWKP-UHFFFAOYSA-N 257.377 3.786 30 20 CHED CC#CCOC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 744994378 KNKIGDUDBZXHHR-DLBZAZTESA-N 264.324 3.510 30 20 CHED C[C@H](Cc1ccccn1)Nc1nc(C(C)(C)C)ccc1C#N 594593759 JGQZZGKYYQWUQF-CYBMUJFWSA-N 294.402 3.689 30 20 CHED CCC[C@H](CC(C)C)C(=O)Oc1cccc(OCC#N)c1 841343817 JABAKKYQTCVNMR-CQSZACIVSA-N 289.375 3.957 30 20 CHED C[C@@H]1CC(=NNc2nc(Cl)c(Cl)cc2Cl)CO1 842523778 XJHYTRQHAUDYKY-RXMQYKEDSA-N 294.569 3.619 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1nc(-c2cccs2)no1 748235056 WCPGCKQLXOEIFB-JTQLQIEISA-N 292.360 3.759 30 20 CHED CCCCCCCCCNC(=N)NC1CCCC1 849000485 XHDLVKMSRNEHIK-UHFFFAOYSA-N 253.434 3.794 30 20 CHED C#CCOc1ccc(C(=O)N(CC(C)C)C2CCCC2)cc1 741535858 SPYISYQMVCOWNJ-UHFFFAOYSA-N 299.414 3.739 30 20 CHED C=C1CN(C(=O)C2(Cc3cccc(OC)c3)CCCCC2)C1 912447032 YCUKLOQLKZOJTI-UHFFFAOYSA-N 299.414 3.587 30 20 CHED CCCCCCCNC(=O)Nc1cccc(OC)c1OC 916987489 IFXMSAYCSBLLRF-UHFFFAOYSA-N 294.395 3.796 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1[C@H]1CCCOC1 843924745 RGNJWRBZHMPJSI-HOTGVXAUSA-N 281.440 3.765 30 20 CHED CCN(Cc1cc(-c2ccc(Cl)cc2)no1)[C@H](C)C#N 595813488 URBZAFPLMRKPKA-LLVKDONJSA-N 289.766 3.729 30 20 CHED CC(C)(C)c1cccc(C(=O)N2CCC[C@H](CC#N)C2)c1 597901377 JTTDNMPWUXVQQL-CQSZACIVSA-N 284.403 3.750 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc(-c2ccccc2)oc1C 599760749 RNYNEGAPOMGWOR-AWEZNQCLSA-N 282.343 3.677 30 20 CHED COc1cccc(F)c1C(C)=NNc1cccc(F)c1 741809717 IHSUHDMQRIPFJY-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C=C(C)CCOC(=O)c1ccc(Br)cc1C 744304447 WADVFENCWSNNHU-UHFFFAOYSA-N 283.165 3.881 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cc(C#N)cs1)C2=O 748440084 GHXGHBYNVCDBGH-QPEQYQDCSA-N 265.337 3.751 30 20 CHED C#C[C@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1 843638361 LCSNCUIFKLKLQH-HKUYNNGSSA-N 289.378 3.597 30 20 CHED C[C@@H]1CN([C@H](C#N)c2ccccc2)C[C@H](c2ccccc2)O1 595294418 MOXLIAWWSFSYDB-ATZDWAIDSA-N 292.382 3.713 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2C)C1 596802461 ABNDBSIUQYSCCG-AWEZNQCLSA-N 283.375 3.687 30 20 CHED C=CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 599680727 BWQAUVROGNVQSM-GFCCVEGCSA-N 289.444 3.911 30 20 CHED Fc1cc(NN=Cc2ccccc2)cc(F)c1F 747642894 XKIIRQRHGFZRGT-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CCCC[C@@H](CCC)CNC(=O)N1CCC[C@@H](CC#N)C1 595553500 IZUMMXWQCXDGKI-CVEARBPZSA-N 293.455 3.928 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccnn1CC1CC1 849244759 JYUCZIOUCRKNRL-SNAWJCMRSA-N 272.373 3.559 30 20 CHED CCC(=NNc1nc2ccccc2s1)C1CCOCC1 745193038 BOVGOUCTKMBXSD-UHFFFAOYSA-N 289.404 3.901 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl 594094449 KECZFIPGOSVJHC-NXEZZACHSA-N 299.201 3.857 30 20 CHED C#CC1CCN(C(=O)C[C@@H]2C[C@@H](C)c3c(C)cccc32)CC1 843700710 PTMLACRMKNIIIT-WBVHZDCISA-N 295.426 3.848 30 20 CHED C[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCCC1 591315875 KLMHWWODFUUICL-UGSOOPFHSA-N 296.414 3.878 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@@H](C)c1ccccc1 746367916 RQXRZTDZMKRLJL-GFCCVEGCSA-N 282.343 3.976 30 20 CHED CSC1CC(N[C@@H](CCC#N)c2ccccc2)C1 925601658 MZTWSMUOADZWPL-NRXISQOPSA-N 260.406 3.515 30 20 CHED C#CCN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(C)C 928625549 UIXBIVPRZBXZFQ-LBPRGKRZSA-N 297.320 3.836 30 20 CHED C#C[C@@H](OC(=O)c1ccn(C(CC)CC)n1)c1ccccc1 842389635 MCTVNERDLHBULM-QGZVFWFLSA-N 296.370 3.776 30 20 CHED C=C(C)CNC(=O)C(C)(C)c1ccc2ccccc2c1 681743277 JACOZBVARQWJDE-UHFFFAOYSA-N 267.372 3.810 30 20 CHED C#Cc1cccnc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 853231267 GCEHNDGMDIVFHL-ZWKOTPCHSA-N 292.382 3.643 30 20 CHED Cc1ccc(N(C)C(=O)C2(C#N)CCCCC2)cc1C 920024827 MGWLOULFFHOSPH-UHFFFAOYSA-N 270.376 3.740 30 20 CHED C/C(=C/C(=O)Oc1ccc(C#N)cc1)c1ccc(F)cc1 921276087 ACMFJUKIWDZTDV-BENRWUELSA-N 281.286 3.706 30 20 CHED C=C(C)[C@H](CC(=O)Oc1c(C)cccc1Cl)OCC 756647032 XDCOOUGWYIKQRT-ZDUSSCGKSA-N 282.767 3.925 30 20 CHED COc1cccc(NN=Cc2cc(Cl)ccc2F)c1 753695943 UQQIKIYDPORJLT-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CSc1cc(C(=O)O[C@H](C#N)C2CCCCC2)c(C)o1 850231518 WSERNBIOATXJMR-CYBMUJFWSA-N 293.388 3.939 30 20 CHED COc1cccc(NN=C(C)c2cc(F)cc(F)c2O)c1 757458896 AEAPXRXRJGJLFY-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccco1 851100480 JMEQQMYQVJJCMP-PMDBQALLSA-N 298.367 3.893 30 20 CHED CCC(CC)[C@@H]1C[C@H](N[C@H](C)CC(C)(C)C#N)CCO1 926110028 PCJFHLNRGQMPQQ-BMFZPTHFSA-N 280.456 3.888 30 20 CHED Clc1ccc(NN=CC2CCOCC2)c(Cl)c1 755562767 LRKSNPVHSZWOHA-UHFFFAOYSA-N 273.163 3.818 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N(CCC#N)C(C)C 758949627 STPNFFGKNLRHPO-JLHYYAGUSA-N 290.794 3.894 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC[C@H]2C2CCC2)c(F)c1 853396365 HCQWIPYTXUIIDQ-NSHDSACASA-N 277.299 3.712 30 20 CHED CCCCCCCOC(=O)c1ncc(C)cc1OC 753531361 CMVBOMXMNYREKD-UHFFFAOYSA-N 265.353 3.526 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1(F)CCCCC1 851204258 NKKGQUKEJONOEO-NSHDSACASA-N 255.333 3.530 30 20 CHED C[C@H](Cc1ccsc1)OC(=O)c1cccc(CC#N)c1 851146579 ZAYBWRALICSRDN-GFCCVEGCSA-N 285.368 3.602 30 20 CHED C=CCOc1ccccc1C(=O)O[C@H](C)c1ccncc1 757685931 GPMUDMMXNKMKGD-CYBMUJFWSA-N 283.327 3.564 30 20 CHED C/C(=C\c1ccco1)C(=O)O[C@@H](C)CC(C)(C)C#N 851205996 NLESTLSERTUTHI-OBIHZWKSSA-N 261.321 3.554 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@](C)(C#N)C1CCCCC1 932887145 QQIOYYLFXHUHLY-XJKSGUPXSA-N 262.397 3.567 30 20 CHED CCCCc1ccc(C(C)=NNc2cnn(C)c2)cc1 761867978 SWCCTYSOFCVVHB-UHFFFAOYSA-N 270.380 3.599 30 20 CHED CC(C)c1cccc(C(=O)/C=C\c2cnc(N(C)C)nc2)c1 863196184 YMNUQMGOCAUJJD-HJWRWDBZSA-N 295.386 3.562 30 20 CHED C#CCOc1cccc(OCc2ccn(C3CCCC3)n2)c1 763187990 JPWGXGLZNLHYHT-UHFFFAOYSA-N 296.370 3.589 30 20 CHED CCN(CCC1CC1)Cc1ccc(O[C@H](C)C#N)cc1 761225243 ARYFUKOHJLKAHH-CQSZACIVSA-N 272.392 3.599 30 20 CHED C#CCCCN(CCc1ccccn1)Cc1ccc(F)cc1 766916991 MULAACZMHXMQAN-UHFFFAOYSA-N 296.389 3.679 30 20 CHED CO[C@H](C/N=C\c1ccccc1O)c1ccccc1Cl 763098734 YSZJUXNCBUUVNR-LTKMBJGESA-N 289.762 3.852 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCCCCCN2CCCC2)C1 765927386 RNAIPIBNWSPLEK-ZWKOTPCHSA-N 291.483 3.705 30 20 CHED COc1cc(OC(=O)C[C@@H](C)CC(C)C)ccc1C#N 767142793 WCWSPQBFWVCZGF-LBPRGKRZSA-N 275.348 3.545 30 20 CHED Cc1ccc(C(=O)OCc2ccccc2C(C)(C)C#N)o1 767978958 LVRABPYVJZDJNE-UHFFFAOYSA-N 283.327 3.746 30 20 CHED CC(CC1CCC1)=NNCCCOCc1ccccc1 863178355 NBOWRICMCUAKHB-UHFFFAOYSA-N 274.408 3.749 30 20 CHED Cc1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc1-n1cccc1 765632561 FFNJFOGZSUAVLX-INIZCTEOSA-N 296.370 3.881 30 20 CHED C=CCN(C(=O)CCCOc1ccc(C)cc1C)C(C)C 765417764 UPLYNBIKRLWCNH-UHFFFAOYSA-N 289.419 3.885 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@H](C#N)C(C)(C)C 768010794 CRAGSGZWPVURTM-OAHLLOKOSA-N 285.343 3.765 30 20 CHED Cn1ccnc1C(=O)/C=C/c1ccc(SC(F)F)cc1 864235176 KBHWKFYNOXTHPW-QPJJXVBHSA-N 294.326 3.631 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(C2CCCCC2)c1 1116475411 CTGOMIQENQHYLG-CQSZACIVSA-N 289.423 3.863 30 20 CHED CC(=NNc1cccc(C#N)c1)c1cc(C)oc1C 767335365 BXJGWSHCJMAKCR-UHFFFAOYSA-N 253.305 3.604 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Oc2ccc(C#N)cc2F)C1 769738063 BXVMBWAZELZJAL-NWDGAFQWSA-N 275.323 3.819 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@H]1CCC[C@H]1C 769314180 MDSLETWGFFPRAP-IUODEOHRSA-N 271.360 3.736 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCc2cc(F)ccc21 878397838 YTVWYBAVBXYFKC-CQSZACIVSA-N 261.340 3.532 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=Cc1ccccc1C#N 777447271 FLFYFQGAHBPCKC-IBGZPJMESA-N 291.398 3.749 30 20 CHED C=C(CC)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 773495197 PXGRUXBXPQVAMH-HUUCEWRRSA-N 296.455 3.578 30 20 CHED CC(=NOC1CCCCC1)c1nc2ccccc2n1C 777457338 QREZVYGQDUKJHR-UHFFFAOYSA-N 271.364 3.647 30 20 CHED N#Cc1cc(/C=C\C(=O)c2cc(F)cc(F)c2)ccc1F 770571174 BTIOZOYCJCXALI-RQOWECAXSA-N 287.240 3.872 30 20 CHED C=CCCCCNC(=O)C1(c2ccccc2OC)CCC1 1116629521 JUFUZFUHFMAXAO-UHFFFAOYSA-N 287.403 3.589 30 20 CHED O=C(/C=C/c1nc2c(s1)CCCC2)c1ccsc1 776266380 QIQVPYHOTVIEBS-AATRIKPKSA-N 275.398 3.980 30 20 CHED CCc1ccc(C=NNCc2ccc(F)cc2)s1 1116285186 CLHJTLGSFCBAEK-UHFFFAOYSA-N 262.353 3.573 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](C)CCSCC 879103501 CDCOBGXCWNSDBZ-GFCCVEGCSA-N 257.443 3.579 30 20 CHED N#CCc1ccc(COC(=O)/C=C/c2cccc(F)c2)cc1 776114426 PCRBXXHXLPPNGG-CMDGGOBGSA-N 295.313 3.648 30 20 CHED C=C(C)CCC(=O)N(CC)c1ccc(F)c(F)c1 1120872004 HYMIPRJNJURDII-UHFFFAOYSA-N 253.292 3.674 30 20 CHED COc1cccc(/C=N/Cc2ccc(Cl)cc2F)c1O 777401770 QYOCRDSPTRTDSC-GIJQJNRQSA-N 293.725 3.812 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C2CC2)nc1C 1120814120 WODCACVMCWTMLJ-HNNXBMFYSA-N 284.403 3.838 30 20 CHED FC(F)(F)c1csc(NN=C2CC3(CCC3)C2)n1 772843448 HNIIZTDWHGSRTA-UHFFFAOYSA-N 275.299 3.894 30 20 CHED C=CC[C@@H](NCc1ccc(SC)o1)c1ccncc1 883003398 NXPPSHFNHHCXHZ-CQSZACIVSA-N 274.389 3.804 30 20 CHED C#CCCCCCC(=O)N(Cc1ccccc1)C1CC1 779771056 FIWAHHRMFOKNJY-UHFFFAOYSA-N 269.388 3.761 30 20 CHED CC(C)(C#N)CCCN[C@@H](Cn1ccnc1)c1ccccc1 880571059 NBIWSJSBWYOBLL-KRWDZBQOSA-N 296.418 3.544 30 20 CHED CC(CCc1ccccc1)=NNc1ncncc1Cl 780281014 CXMZXXRHPIERSV-UHFFFAOYSA-N 274.755 3.551 30 20 CHED C=CCC1(O)CCN([C@@H](CC)c2ccccc2)CC1 886764620 XFWYEPSKWJIVLB-INIZCTEOSA-N 259.393 3.541 30 20 CHED O=C(/C=C/c1cc(Cl)cc2c1OCC2)c1cncs1 787168348 HRQWMVOLKADSFL-OWOJBTEDSA-N 291.759 3.628 30 20 CHED CC[C@H](CC#N)OC(=O)c1oc2ccc(F)cc2c1C 787088484 MNZSAWZLIGPVCQ-LLVKDONJSA-N 275.279 3.729 30 20 CHED c1ccc2c(c1)COCC2=NNc1ccc2ccccc2n1 782120325 VTEPQWDWLQKGCL-UHFFFAOYSA-N 289.338 3.581 30 20 CHED CC[C@@H]1CCC[C@H](CNCc2ccc(OCC#N)cc2)C1 784534253 KLQBOHAQRNRULA-WBVHZDCISA-N 286.419 3.895 30 20 CHED C=CCOCCCC(=O)OCc1cc(F)ccc1Cl 782282104 VNHJOSKSJSJECG-UHFFFAOYSA-N 286.730 3.505 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)/C=C/c1ccco1 780034237 CZTBMUXUHBIKSJ-AATRIKPKSA-N 287.702 3.561 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC[C@@H](C)C[C@H]2C)o1 783837967 SCFMBDBWESTDDS-GHMZBOCLSA-N 274.368 3.894 30 20 CHED COc1cc(NN=Cc2cc(C)[nH]c2C)ccc1Cl 788471452 BMRNIPPQIKHGDV-UHFFFAOYSA-N 277.755 3.740 30 20 CHED CC[C@H](C)NN=C(C)c1cc(Br)cs1 782284783 JQLPHWIWGPQUGL-ZETCQYMHSA-N 275.215 3.623 30 20 CHED O=C(O)c1csc(/C=C\C(=O)c2cc(F)cc(F)c2)c1 782207840 SNIVVRFJTVBZFF-UPHRSURJSA-N 294.278 3.621 30 20 CHED COc1ccc(CNN=Cc2cc(Cl)cs2)cc1 782207227 UUDHIKBNUMJOJP-UHFFFAOYSA-N 280.780 3.534 30 20 CHED C#CCCN(Cc1ccc2cnccc2c1)CC(F)(F)F 787272782 ASOSMAPWYCMUTJ-UHFFFAOYSA-N 292.304 3.622 30 20 CHED Cc1ccc2nc(/C=C3/CCc4ccccc4C3=O)cn2c1 789126742 HTIBNWLGGJGTBK-GDNBJRDFSA-N 288.350 3.855 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2cc(C#N)ccc2F)CC1 891452646 BKYFPIHGHOMYDJ-CYBMUJFWSA-N 272.323 3.772 30 20 CHED Cc1cc(CNc2cc(C#N)ccc2OC(C)C)cnc1F 893420219 FHTGNGRUGQJFRM-UHFFFAOYSA-N 299.349 3.800 30 20 CHED Fc1cccnc1NN=C1C[C@@H]2CCCc3cccc1c32 794990074 MTEGJQAXMYOBOJ-LBPRGKRZSA-N 281.334 3.861 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc(Cl)c(C)c1 797251374 CDNRPRGRYIIBEX-AWEZNQCLSA-N 265.740 3.632 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1ccnc(F)c1 794872521 GJTCGZIGUPHHJM-UHFFFAOYSA-N 299.136 3.759 30 20 CHED Cc1cc(F)ccc1NC(=O)c1cc(F)c(C#N)c(F)c1 1135544469 JQWMBSLOTWLQDQ-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@H]1CCN(Cc2ccc(CC#N)cc2)CC1(C)C 545417873 BLTPMYDKQJJTPA-AWEZNQCLSA-N 256.393 3.621 30 20 CHED C[C@H]1CCC[C@H](C=NNCc2ccccc2N(C)C)C1 794948887 GVCZMKMIYHXADE-GJZGRUSLSA-N 273.424 3.654 30 20 CHED O=C1/C(=C\c2ccsc2)CCc2ccc(O)cc21 794960658 VTKORIDNFWZLGF-GHXNOFRVSA-N 256.326 3.666 30 20 CHED C#C[C@@H](NCc1cc2cccc(OC)c2o1)C(C)(C)C 702248011 VHJKMUKYMWCMIZ-OAHLLOKOSA-N 271.360 3.579 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1C#N 799293502 MHVSYIQCLZEBRJ-HNNXBMFYSA-N 292.382 3.618 30 20 CHED C[C@@H]1C[C@@H]1C=NNCc1cccc(Cl)c1Cl 790180174 BHIHDSMEEAPBOI-PSASIEDQSA-N 257.164 3.725 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 791075346 YIUUWIBCAYXLLY-UKRRQHHQSA-N 298.386 3.937 30 20 CHED CCOC(=O)[C@@H]1CCC(=NNCC2(C)CCCC2)C[C@@H]1C 793085075 XNHHIAYBKKRFIW-DZGCQCFKSA-N 294.439 3.512 30 20 CHED N#Cc1ccc(CN2CC[C@H]2c2ccc(F)cc2)c(F)c1 1207724444 YGZKTVKNMFFRFD-KRWDZBQOSA-N 284.309 3.783 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)C2(C#N)CCCCC2)CC1 188829587 DANKCZRTWVPZAY-KGLIPLIRSA-N 262.397 3.545 30 20 CHED CCO[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 721168443 OVTAPSIFJIAUQA-RRQGHBQHSA-N 272.392 3.557 30 20 CHED CCCCCCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 794962473 ZDSTWFCFHHYSEL-UHFFFAOYSA-N 290.382 3.671 30 20 CHED CC1(CNC(=O)Nc2cccc(C#N)c2)CCCCC1 558446370 AQWYINAYGMUXHD-UHFFFAOYSA-N 271.364 3.650 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc2cc(C)c(C)cc2o1 791201892 QPSPKCIUWWMELW-CQSZACIVSA-N 269.344 3.581 30 20 CHED CSc1ccc(/C=C/C(=O)c2cc(C)on2)cc1 791431266 IOQJFHZRQRLWSY-VMPITWQZSA-N 259.330 3.601 30 20 CHED COc1ccc(CCC(C)=NOCCCCF)cc1 795206678 YWMNRFSORUKURK-UHFFFAOYSA-N 267.344 3.770 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NNc1ncccc1F 794994423 VTTODESBNUGHJQ-UHFFFAOYSA-N 299.349 3.727 30 20 CHED CCCCC1CCC(CNC(=O)c2cc(C#N)c[nH]2)CC1 1142226535 WVWFXLXJQPMNJT-UHFFFAOYSA-N 287.407 3.613 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)CCC#N)cc1F 91061620 SNOGOFYWVHXRQW-LBPRGKRZSA-N 278.371 3.815 30 20 CHED C[C@]12CN(Cc3ccc(F)c(C#N)c3)C[C@H]1[C@H]1CC[C@@H]2C1 1308118530 IPYYRHDASTWAQI-JXSMBQFASA-N 284.378 3.565 30 20 CHED CO[C@H]1c2ccccc2OC[C@H]1Sc1ccc(C#N)cc1 1307294488 YCWPMUNRBQNNFN-SJORKVTESA-N 297.379 3.799 30 20 CHED CCCCC1CCC(NC(=O)N(C)CC(C)(C)C#N)CC1 1311669800 RQDHWFKWDFSQGM-UHFFFAOYSA-N 293.455 3.927 30 20 CHED N#Cc1ccc(CN(Cc2cccn2C2CC2)C2CC2)cc1 1327938013 CKXZJOWPNITLRQ-UHFFFAOYSA-N 291.398 3.859 30 20 CHED CC[C@H](Nc1cccc(CC#N)n1)c1ccc(F)cc1F 1325709748 FECWFZGOMOAKRZ-HNNXBMFYSA-N 287.313 3.989 30 20 CHED C=CCn1cnnc1S[C@H]1CCc2cc(Cl)ccc21 1257405515 QJPYOCMSULWADP-ZDUSSCGKSA-N 291.807 3.897 30 20 CHED Fc1ccc(CCC=Nn2cnc3ccccc32)cc1 1256728089 CXPMIQDHWGGTFD-UHFFFAOYSA-N 267.307 3.642 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCC(C)(C)CC1 1338905303 FXKUKQCKKNKRDW-LBPRGKRZSA-N 294.468 3.515 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(C)cc1 1339230915 UGXYQLURIBLGGA-UHFFFAOYSA-N 282.391 3.919 30 20 CHED CC[C@H](C)CN(CC)c1nnc([C@H](C)CCC#N)n1CC 1339741295 CYDYHFYTJPTKMX-UONOGXRCSA-N 291.443 3.578 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(Cl)cn1CC 1337488661 PBMAZZYUWJTTFH-CYBMUJFWSA-N 280.799 3.732 30 20 CHED C=CCC(C)(C)c1noc(CCc2ccc3c(c2)CCO3)n1 1347677138 CWXNTAAHEBFATH-UHFFFAOYSA-N 298.386 3.643 30 20 CHED CCC(CC)[C@H](C)C(=O)O[C@H](CC#N)c1ccco1 1345546990 IMLBIHKLEWRPOG-SMDDNHRTSA-N 263.337 3.850 30 20 CHED C=C(C)CCC(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 1353679918 SJAHKSBZXYWROG-UHFFFAOYSA-N 297.402 3.652 30 20 CHED N#CC[C@H](OC(=O)C1CCC2(CC1)CC2)c1ccco1 1350310922 CLKSNVYRYNCDFH-AWEZNQCLSA-N 273.332 3.748 30 20 CHED CCC1(CC)CCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1355641382 UWOZJSGSFLWEGH-MRXNPFEDSA-N 284.403 3.723 30 20 CHED CCc1ccc(CN(C)C(=O)c2cc(C#N)ccc2C)cc1 1353150932 YJRAFUMUXHXOPJ-UHFFFAOYSA-N 292.382 3.701 30 20 CHED C#Cc1ccc(NCc2cc(C(CC)CC)no2)nc1 1515508233 BOGHHYAXJXWMRC-UHFFFAOYSA-N 269.348 3.567 30 20 CHED Cc1csc(NC(=O)c2ccc3scnc3c2)c1C#N 1459927228 WIZNBHMBZYMCLC-UHFFFAOYSA-N 299.380 3.790 30 20 CHED CCN1CCc2ccc(Nc3ccc(Cl)c(C#N)n3)cc21 1458156233 IFRBYMZMUZHHTC-UHFFFAOYSA-N 298.777 3.733 30 20 CHED C[C@]1(CNc2cccc(C#N)n2)CCCc2ccccc21 1458302639 IGFNGTRGEKYLNH-GOSISDBHSA-N 277.371 3.659 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC1CCCCCC1 1526117096 FJWCRGDOOYCQHC-UHFFFAOYSA-N 270.376 3.567 30 20 CHED CCCCCCCCNC(=O)Nc1cc(C(=O)O)cs1 1605266317 FJCFLJVWBXGBGD-UHFFFAOYSA-N 298.408 3.928 30 20 CHED Cc1ccc2cc(C(=O)/C=C\c3cc(C(=O)O)co3)oc2c1 1600498626 SLGQTWYEGNREHR-PLNGDYQASA-N 296.278 3.929 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CC2 113310589 RZZQAYVKVAXGKN-GOSISDBHSA-N 262.356 3.644 30 20 CHED CCO[C@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)C1(C)C 1473181610 ODOADTPZXLRITI-CVEARBPZSA-N 292.467 3.986 30 20 CHED CCN(CCOc1ccccc1C#N)c1ccc(F)c(C)c1 1473777191 KBJBTDALLKISEH-UHFFFAOYSA-N 298.361 3.911 30 20 CHED N#Cc1cc(NCC2(c3cccc(Cl)c3)CCC2)ncn1 1472855471 HBIAQUXRPNIIJN-UHFFFAOYSA-N 298.777 3.535 30 20 CHED CSC1(CNc2cc(C)c(C#N)cn2)CCCCC1 1612920357 TVESKGYVKOBWBY-UHFFFAOYSA-N 275.421 3.740 30 20 CHED N#C[C@H](c1ccccc1)N1CCC(OCC2CCCC2)CC1 1473214022 YNCXNJIOBPRPQM-LJQANCHMSA-N 298.430 3.922 30 20 CHED Cc1ccc(NCc2cc(C#N)ccc2F)cc1C 20050865 ADJWJYSLEUANMU-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C[C@@H]1C[C@H](OC(=O)Cc2ccc(C#N)cc2)CC(C)(C)C1 1623447932 VJHUQZPPMCKHEW-CJNGLKHVSA-N 285.387 3.859 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1cccs1 119494129 HDKORBWCBJQCBF-ZDUSSCGKSA-N 261.390 3.605 30 20 CHED CC(C)CC[C@H]1CCCCN1C(=O)NCC1(C#N)CCC1 1636272188 VOSPSJRCYKFCGF-OAHLLOKOSA-N 291.439 3.681 30 20 CHED CCc1nc(C#N)cc(NC[C@H](CC)c2ccccc2)n1 1642183463 PXHZSMGVDQYSAY-ZDUSSCGKSA-N 280.375 3.516 30 20 CHED N#CCC1(CN2CCC(Cc3ccc(F)cc3)CC2)CC1 1641653218 ICHKOEDCYVIMRT-UHFFFAOYSA-N 286.394 3.774 30 20 CHED N#Cc1cc(F)ccc1CN1CCCc2ccccc2CC1 1645681082 PDSBHUNEFAIMTD-UHFFFAOYSA-N 294.373 3.688 30 20 CHED Cc1ccnc(N2CC[C@H](C(C)(C)C)C[C@H]2C)c1C#N 1655531957 RZDLKQVUPOSAOG-KGLIPLIRSA-N 271.408 3.913 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](C#N)C1 1678767141 MVGZFPVZFHVUCH-GOEBONIOSA-N 291.439 3.681 30 20 CHED C=CCC[C@@H](C)N1CCC(c2ccc(C(=O)O)cc2)CC1 1776166275 TUIPWNZIXXKVMU-CQSZACIVSA-N 287.403 3.919 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NCc2cccc(C#N)c2)C1 1675772123 TWBDCNYLVBAYQC-GRDNDAEWSA-N 299.418 3.572 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@H](CCC)c2ccccc2)C1 1776157957 DAPGWWVFNDQCLV-SJLPKXTDSA-N 287.403 3.881 30 20 CHED CCCC[C@H](C)C(C)=NNc1ccccc1C(=O)O 1776030819 UWXOINZQCPXMMI-NSHDSACASA-N 262.353 3.999 30 20 CHED C[C@H]1C(=NNc2ccc(F)cc2Cl)CC[C@H]1CC(=O)O 1776106633 NZHFOSVQOGANCF-BDAKNGLRSA-N 298.745 3.768 30 20 CHED C[C@@H]1/C(=C/c2ccc(/C=C\C(=O)O)o2)C(=O)c2ccccc21 1777407817 IFLXUNMERZPMBF-XNHQSKMVSA-N 294.306 3.761 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@@H](C)C(C)(C)C)CC1 1776168427 NUVBGOKKOOXCBN-CQSZACIVSA-N 281.440 3.802 30 20 CHED Cc1cc(NN=C2CC[C@H](CC(=O)O)[C@@H]2C)ccc1Cl 1776105145 PUMSZYXPILLYDI-WDEREUQCSA-N 294.782 3.937 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)OCc2ccc(C#N)cc2)C1(C)C 5159040 MQRCYPSLRFLLOE-HZPDHXFCSA-N 283.371 3.840 30 20 CHED C=CCN(CC=C)S(=O)(=O)c1ccc([C@H](C)CC)cc1 13939923 NKJPGEMEBNMBEF-CQSZACIVSA-N 293.432 3.563 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(C#N)c2)C1(C)C 16467534 FVJPADMKUHRJGT-CABCVRRESA-N 268.360 3.735 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](C)Oc1cccc(C)c1 150927248 SJAYPGFGWUDWMZ-HNNXBMFYSA-N 287.403 3.647 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@H](c2ccccc2)C2CC2)n1 161884114 ZJWVASSDXHAMEH-HUUCEWRRSA-N 296.395 3.822 30 20 CHED N#Cc1ccc(NC(=O)Nc2cccc(OCCF)c2)cc1 162316762 YKONOFZBLXFOSZ-UHFFFAOYSA-N 299.305 3.551 30 20 CHED N#Cc1cccc(C(=O)CSc2cc(F)ccc2F)c1 160707081 IDCXDAMTDSYFBP-UHFFFAOYSA-N 289.306 3.811 30 20 CHED CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H](C)CC#N 153674886 JTMUKMVNKWGBMT-SNVBAGLBSA-N 293.798 3.888 30 20 CHED COc1ccc([C@@H]2CCCN2Cc2ccc(C#N)s2)cc1 155168061 NRWSSSVNLYBGEX-KRWDZBQOSA-N 298.411 3.965 30 20 CHED N#CCN(Cc1coc(-c2cccc(F)c2)n1)C1CCCC1 156599892 VQJAAFAXCBCBRE-UHFFFAOYSA-N 299.349 3.749 30 20 CHED CC(C)(C)c1ncc(C(=O)O[C@H](C#N)C(C)(C)C)s1 154525224 OATPBRUIOGGYHT-SNVBAGLBSA-N 280.393 3.536 30 20 CHED O=C1/C(=C\c2ccc(O)c(Cl)c2)Cc2ccccc21 209251364 ZAYYMAFYJVUTOV-GHXNOFRVSA-N 270.715 3.868 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(F)cc1Cl 129243331 VWZIQFCHTGSUTB-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1cc(Cl)cc(C(=O)N[C@@H](C#N)C2CCCCC2)c1 127491226 LFJPFLOFRYPUAV-HNNXBMFYSA-N 290.794 3.851 30 20 CHED C=CCCCN[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 249437275 SKJPTEPPOXYESW-DZFIZOCASA-N 286.463 3.699 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1OC 130267448 YCCLVMTTWLYPSJ-HOCLYGCPSA-N 272.392 3.625 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1csc2ccccc12 42296843 RJVIKNQIWGBKTE-LLVKDONJSA-N 272.373 3.523 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(C(F)(F)F)cc1 155639351 QYVXRNXRJUBWPC-GFCCVEGCSA-N 287.325 3.949 30 20 CHED N#Cc1ccc(Cl)cc1OCc1cnoc1C1CC1 271400675 UUTKPISMWXCKPB-UHFFFAOYSA-N 274.707 3.656 30 20 CHED CSc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 42365516 YAXSTBRUWNFLBX-UHFFFAOYSA-N 282.412 3.912 30 20 CHED C[C@@H]1CCN(c2nc3ccccc3cc2C#N)C[C@@H]1C 161620682 CJBXRMWVHFKGRZ-OLZOCXBDSA-N 265.360 3.589 30 20 CHED CC[C@@H](CC#N)N[C@H](C)c1ccc(OC(F)(F)F)cc1 54182241 FXMNYEHLWWPXKQ-PWSUYJOCSA-N 286.297 3.928 30 20 CHED C#CCCCN[C@H](C)c1ccc2ccccc2c1O 185581376 QRCZAFGJYHEPRM-CYBMUJFWSA-N 253.345 3.609 30 20 CHED N#Cc1ccc(NCc2ccc(C(F)F)cc2)cn1 302155583 DPWJOWRAKDISKG-UHFFFAOYSA-N 259.259 3.503 30 20 CHED N#Cc1ccc(CC(=O)Nc2ccc(F)cc2Cl)cc1 70158527 MUUWJJJIGYOFAH-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1c(C#N)cnc2ccccc12 71208332 RQCGJBVQNDIHMZ-RISCZKNCSA-N 251.333 3.707 30 20 CHED Cc1cc(N(C)[C@@H](C)c2ccccc2F)cc(C#N)n1 308268167 BSCFQQHVTBAEEB-LBPRGKRZSA-N 269.323 3.598 30 20 CHED C[C@H]1CCC[C@H](C)C1NCc1ccc(C#N)c(F)c1 404822842 FGGSMQVTDUDKHQ-RYUDHWBXSA-N 260.356 3.612 30 20 CHED CC(C)(C#N)CCCNC1(C(F)F)CCCCC1 510081877 BPQJMZKNRHRUMD-UHFFFAOYSA-N 258.356 3.874 30 20 CHED CC(C)SCCNc1c(C#N)cnc2ccccc12 312115251 PFSYOGFTNWNOOJ-UHFFFAOYSA-N 271.389 3.660 30 20 CHED COCCCCOc1ccc(C#N)c2ccccc12 419052980 ITERBFQMBYHABV-UHFFFAOYSA-N 255.317 3.517 30 20 CHED C=CCCCN(C)[C@H]1CCCN(Cc2ccccc2)C1 531101530 OZEQNROAZMQHIX-SFHVURJKSA-N 272.436 3.549 30 20 CHED COC1(CCNc2ccc(C#N)cc2Cl)CCC1 336795434 KNROHGCCAKNTNL-UHFFFAOYSA-N 264.756 3.583 30 20 CHED C=CCOCCCN[C@@H](C)c1ccccc1Cl 470764871 ITNMUUPWDWCPTR-LBPRGKRZSA-N 253.773 3.583 30 20 CHED N#Cc1cc(Cl)cc(OCCOC2CCCC2)c1 487420276 MIJSYMLJPMTATF-UHFFFAOYSA-N 265.740 3.550 30 20 CHED Cc1cc(OCc2cncc(F)c2)c(C)c(C)c1C#N 380597189 MQQDXTHJJOOEAK-UHFFFAOYSA-N 270.307 3.597 30 20 CHED CC1(C)CN(Cc2cc(C#N)ccc2F)[C@@H]2CCC[C@@H]21 393542600 FNNCRSNPACNYDH-GOEBONIOSA-N 272.367 3.708 30 20 CHED C=CCCC[C@H](C)N[C@H]1C[C@@H](OCC)C12CCC2 398122333 RLDULTBRNDJPJO-SOUVJXGZSA-N 251.414 3.669 30 20 CHED Cc1ccc(SCC(=O)Nc2ccccc2C#N)c(C)c1 3605617 CPAIERHIYXJRAO-UHFFFAOYSA-N 296.395 3.906 30 20 CHED Cc1cc(C)c(OCC(=O)Nc2cccc(C#N)c2)c(C)c1 3606607 RPGCSPNEANSSQO-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 176480547 YLIMRARLOVDAPR-HUUCEWRRSA-N 274.408 3.786 30 20 CHED Cc1c(C(=O)/C=C/c2ccc3ccccc3c2)cnn1C 179845266 OLBQTXURGLDNHT-CSKARUKUSA-N 276.339 3.778 30 20 CHED CCCCCCCCOC(=O)c1ccc(Cl)nn1 111679101 AKUWJTRWYYCVPU-UHFFFAOYSA-N 270.760 3.647 30 20 CHED CCCc1sc(C(=O)Nc2ccc(C#N)cn2)cc1CC 103929868 MTWMTBKSZVYAGF-UHFFFAOYSA-N 299.399 3.782 30 20 CHED CCOc1ccccc1[C@H](CC)NC[C@H](C#N)CCC#N 179734520 ZTMHFSVDRLOXSA-HOCLYGCPSA-N 285.391 3.570 30 20 CHED C=CCCCC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 175686015 YOAXONBCAIZOSI-HOCLYGCPSA-N 257.377 3.747 30 20 CHED C=CC1CCN(C(=O)c2csc3ccccc23)CC1 110367324 XRNUNJYKUAQFMN-UHFFFAOYSA-N 271.385 3.940 30 20 CHED N#Cc1csc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 344348013 IJNXINPILDDYAR-BFHYXJOUSA-N 260.406 3.678 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cnc(-c2ccccc2)s1 176034525 UCBTURDVEYDSGM-LBPRGKRZSA-N 286.356 3.515 30 20 CHED CC(C)(C)[C@H](Nc1ccc(C#N)nn1)c1ccc(F)cc1 301913405 CNIRNOWBKZRKFM-OAHLLOKOSA-N 284.338 3.687 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1sc(-c2cccnc2)nc1C 119345902 BVTMJGDUEABZRN-MNOVXSKESA-N 273.405 3.739 30 20 CHED C=CCOc1ccc(C(=O)N2CCC3(CCCC3)C2)cc1 173736577 PIEACOPFPIEIDU-UHFFFAOYSA-N 285.387 3.658 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(F)c(C#N)c1 468271857 QRMCJDYKKNAASE-MRRJBJDNSA-N 272.367 3.850 30 20 CHED CCc1nc(CCNc2ccc(C#N)cc2)sc1C 301156833 RTRRXCUBUCCFFQ-UHFFFAOYSA-N 271.389 3.540 30 20 CHED Cc1cc(NCc2cc(C#N)ccc2F)nc(C(C)C)n1 301474891 SABXUNJTFSJOED-UHFFFAOYSA-N 284.338 3.531 30 20 CHED CC(C)(C#N)CCCSc1nccc(C(F)(F)F)n1 177234192 QMZBHXXWSWECCX-UHFFFAOYSA-N 289.326 3.917 30 20 CHED Cc1ccc(C/N=C(/N)Nc2ccc(C)c(C)c2)c(C)c1 303894098 OPSMZGMXVJDGEV-UHFFFAOYSA-N 281.403 3.847 30 20 CHED CCCN(CCc1cccc(F)c1)c1ncccc1C#N 301292797 QWVQLHJSGOCJNW-UHFFFAOYSA-N 283.350 3.551 30 20 CHED C=CCOc1cccc(NC(=O)/C=C/c2ccc(O)cc2)c1 123049269 QJHBAFFYUQLLAU-DHZHZOJOSA-N 295.338 3.609 30 20 CHED C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)C[C@@H](C)C#N 66468999 KQMJFVIVEKYJGS-QWRGUYRKSA-N 286.297 3.738 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1csc2ccccc12 128092292 UUGHPKZKTGVRFI-NSHDSACASA-N 274.389 3.617 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(C)noc1-c1ccccc1 126809059 QJEKOAFFJHICIE-UHFFFAOYSA-N 285.347 3.690 30 20 CHED CCO[C@@H]1C[C@H](N(C)c2cccc(C#N)n2)C12CCCCC2 301843165 KLBXOFWIYARDLA-JKSUJKDBSA-N 299.418 3.517 30 20 CHED C=CCCCOc1cc(F)c([N+](=O)[O-])cc1Cl 304406582 PAPFQZHOKHMWDP-UHFFFAOYSA-N 259.664 3.732 30 20 CHED N#Cc1c(F)cccc1N1CCC(Nc2ccccc2)CC1 301143186 JNOKQXCLNJHPOM-UHFFFAOYSA-N 295.361 3.778 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(C)cc1OCC 129039081 VVVDZEANJPUOIS-UHFFFAOYSA-N 290.407 3.501 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(Cl)s2)cn1 210342358 BKKZDYIKZJIMPK-ARJAWSKDSA-N 266.753 3.514 30 20 CHED C=CCSCCN[C@@H]1CCCc2nc(CC)sc21 180459841 IIBYEDLYHHWXPC-LLVKDONJSA-N 282.478 3.592 30 20 CHED Cc1ccc2cc(C(=O)Nc3ccc(CC#N)cc3)[nH]c2c1 74047813 FVVDBSWMRXRCMI-UHFFFAOYSA-N 289.338 3.795 30 20 CHED CO[C@@H]1CCN(CCC2(C#N)CCCCC2)CC1(C)C 411784242 HERATOSCYCRZCQ-OAHLLOKOSA-N 278.440 3.597 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 415698160 YLWPTIMYIHPABA-UHFFFAOYSA-N 297.402 3.640 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2oc(C3CC3)nc2c1 77264969 OXBNCYGNZHKNIC-UHFFFAOYSA-N 291.738 3.579 30 20 CHED C=C(C)[C@H](N[C@@H](C)COC(C)C)c1ccc(F)c(F)c1 500405246 SLWKRFGYMLZUHV-LRDDRELGSA-N 283.362 3.985 30 20 CHED C=CCCOc1cccc(NC(=O)c2ccccc2)c1 72673668 VYNDOWGYQWXZKX-UHFFFAOYSA-N 267.328 3.894 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1c(C)ccn1C 189788282 QYZPXHKRPHHYFP-UHFFFAOYSA-N 274.408 3.542 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccccc2C#N)s1 120921106 CQRMCPIJAIIZIW-BQYQJAHWSA-N 253.326 3.824 30 20 CHED Cc1nnc(SCc2cc(F)ccc2F)c(C#N)c1C 182726601 OUKVFCAVRZCOHU-UHFFFAOYSA-N 291.326 3.536 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccccc1-c1ccccc1 509079317 CTYWNSQYXJMNDM-CQSZACIVSA-N 293.370 3.977 30 20 CHED C=C[C@H](C)NCc1ccc(Br)cc1Cl 130451402 HLIXPYNGRYMDDT-QMMMGPOBSA-N 274.589 3.767 30 20 CHED C=CCC[C@H](NCc1cccc(COC)c1)C1CC1 120204210 SLTPOQBEZFZUQP-KRWDZBQOSA-N 259.393 3.667 30 20 CHED C=CCC1(C(=O)N[C@@H](C#N)c2ccccc2F)CCCC1 410637035 BJPWZKCKLLUFGI-HNNXBMFYSA-N 286.350 3.643 30 20 CHED C[C@@H](C1CCCCC1)N(C)Cc1cccc(C#N)c1 447071967 FIWUEJSORIGKSZ-AWEZNQCLSA-N 256.393 3.959 30 20 CHED N#C[C@H]1CCC[C@H](NCCCn2ccc3ccccc32)C1 185880422 DOWKCETTYLMVFZ-RDJZCZTQSA-N 281.403 3.703 30 20 CHED CSc1cc(C)ccc1NCc1cc(C#N)n(C)c1 414490390 BETLMOIIEAKQGD-UHFFFAOYSA-N 271.389 3.539 30 20 CHED COc1ccc(/C=C2/Cc3ccccc3C2=O)cc1F 213476868 XOXMLHMBOKITRI-JYRVWZFOSA-N 268.287 3.657 30 20 CHED Cc1ccc(Cl)c2c1N(C(=O)CC(C)(C)C#N)CCC2 411098847 YSIRYJBDCWPAON-UHFFFAOYSA-N 290.794 3.868 30 20 CHED CC[C@H](CSC)N(C)Cc1ccc(Cl)cc1C#N 187399103 RQVTUANWXOTLLU-CQSZACIVSA-N 282.840 3.785 30 20 CHED C#CC[C@@H](OC(=O)c1ccccc1Cl)c1ccccn1 73293081 YUDFPGYNYNZGTI-OAHLLOKOSA-N 285.730 3.656 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1ncc(C#N)cc1F 413075954 SNDMJULXMGMLGZ-OAHLLOKOSA-N 267.307 3.500 30 20 CHED Cc1c(NCc2cc(C#N)cs2)cnn1-c1ccccc1 180358735 QEICQPOTWJRBPM-UHFFFAOYSA-N 294.383 3.726 30 20 CHED C=CCC[C@@H](C(=O)N1CCSC[C@H]1C)c1ccccc1 188179833 WGDWXPXUADEKCZ-GDBMZVCRSA-N 289.444 3.700 30 20 CHED CSc1ccc(C)c(C(=O)N(CC#N)c2ccccc2)c1 79442218 OHDOFKZKPVIAJX-UHFFFAOYSA-N 296.395 3.887 30 20 CHED COc1ccc(-c2ccncc2)cc1CNCCCCC#N 187202116 OPAKCWOKIZTSMN-UHFFFAOYSA-N 295.386 3.541 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](CC)Sc1ccccc1 415626396 HENOSEZVRURFPK-HIFRSBDPSA-N 290.432 3.708 30 20 CHED C[C@H](CC(F)F)C(=O)Nc1sc2c(c1C#N)CCCC2 414670009 CLVHXMKHHLMHEK-MRVPVSSYSA-N 298.358 3.728 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(C)Cc2ccc(C#N)cc2)c1 133280462 RGNLOCRJXKUNPC-OAHLLOKOSA-N 292.382 3.629 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1scnc1CC 136797352 KXADTBQTTAWWPY-UHFFFAOYSA-N 292.429 3.595 30 20 CHED N#CC1CCN(C(=O)c2ccc(-c3ccccc3)s2)CC1 195405568 UJWKUUBYSZCMGB-UHFFFAOYSA-N 296.395 3.791 30 20 CHED N#CC1(CCN(Cc2ccncc2)C2CC2)CCCCC1 411406693 CWNKDBOFZFMPLU-UHFFFAOYSA-N 283.419 3.910 30 20 CHED CC(C)(C)c1nc(C(=O)Nc2cccc(C#N)c2)cs1 338625495 NPUBRLDRSHRDDP-UHFFFAOYSA-N 285.372 3.565 30 20 CHED CCCO[C@@H]1CCCN(CCCC(C)(C)C#N)CC1 174853430 GLXJGCFYYGYYKY-OAHLLOKOSA-N 266.429 3.597 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1 174983686 FLAMCYHFTMJDKH-KSSFIOAISA-N 262.356 3.751 30 20 CHED CCCCCCCCC[S@@](=O)C[C@H]1CCCO1 191644070 XLKFSMNALXFBIT-RHSMWYFYSA-N 260.443 3.665 30 20 CHED CCO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 193522492 IDOSBSNFUCSNAF-HNAYVOBHSA-N 294.398 3.987 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cccc(-c2ccoc2)c1 89968242 DPYNYLSBIAFKIJ-OAHLLOKOSA-N 269.300 3.652 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 190985673 ZGWRHXLSCSJBPO-CJNGLKHVSA-N 293.794 3.882 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 328699772 MKBGBFCQDDUXSP-NLLNSEBYSA-N 292.423 3.913 30 20 CHED COc1ccc(C(=O)/C=C\c2cccs2)c(F)c1 229909981 HUPQOPVESNTKEG-ALCCZGGFSA-N 262.305 3.792 30 20 CHED CC(=O)c1ccc(O[C@@H](C)c2cccc(C#N)c2)cc1 190086029 HVKGNBBZARASPD-ZDUSSCGKSA-N 265.312 3.901 30 20 CHED C=CCCC(=O)CSc1nc2ccccc2s1 134643781 ONUSPWOTAIFQSU-UHFFFAOYSA-N 263.387 3.924 30 20 CHED N#Cc1cccc(OCCOc2ccc(C#N)cc2Cl)c1 47354248 XDEGNDMZTRWZBN-UHFFFAOYSA-N 298.729 3.541 30 20 CHED N#Cc1ccc(CNCCCOC2CCCCC2)cc1F 421322316 DJIYSHYMAQQQPW-UHFFFAOYSA-N 290.382 3.526 30 20 CHED C=CCOc1cccc(NC(=O)C(C)(C)C(=C)C)c1 424593660 DFXOODJARASOQA-UHFFFAOYSA-N 259.349 3.792 30 20 CHED N#C[C@@]1(C(=O)NCC2(C3CCC3)CCC2)CC12CCCC2 333489464 IRTWAZVGSMHITG-GOSISDBHSA-N 286.419 3.547 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CC[C@H](C#N)C1 424326591 MEEMUUYYKZHAON-IPJQOSJUSA-N 272.367 3.731 30 20 CHED Cc1cc(C)c2cc(C(=O)N3CCC(CC#N)CC3)[nH]c2c1 335763329 VPYRWQCYGMQMTJ-UHFFFAOYSA-N 295.386 3.551 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2ccccc2)C1 335069736 QBDVFUCJPHGDJI-HNNXBMFYSA-N 257.377 3.605 30 20 CHED C=CCN(C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 426154887 UMUSYGLULYHBKK-UHFFFAOYSA-N 295.308 3.713 30 20 CHED C=CCN(C/C(C)=C/c1ccccc1COC)C1CC1 512464404 XIYJVEMPBIXACP-NTCAYCPXSA-N 271.404 3.887 30 20 CHED C=CCN(C)C(=O)Nc1cccc(O[C@H](C)CC)c1 429376337 ZQFLEHSQRGJLBB-GFCCVEGCSA-N 262.353 3.514 30 20 CHED CC1(c2nc3ccccc3s2)CCN(CCC#N)CC1 334435494 OYYNLDIQOQWFCL-UHFFFAOYSA-N 285.416 3.563 30 20 CHED C=C(Br)CN[C@@H](c1cccs1)C1CC1 162067923 IMWJNXIJBPXTOU-LLVKDONJSA-N 272.211 3.697 30 20 CHED CCc1ccc([C@@H](C)NCc2ccc(C#N)s2)o1 421895979 YZFRTCZSRDSHIU-SNVBAGLBSA-N 260.362 3.626 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCOc3ccc(F)cc32)CC1 336224518 IUELYPAEDKVLFS-GNHJJJEISA-N 288.366 3.711 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(O)c1 335785678 OYVQPXHDVUGHSO-IBGZPJMESA-N 292.382 3.821 30 20 CHED CCN(CC#N)Cc1ccc(Cl)c(C(F)(F)F)c1 92399087 URQOKVPOFHLNON-UHFFFAOYSA-N 276.689 3.704 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)C(=O)CCC2 439463046 RNTAFRDFUPIECI-ZDUSSCGKSA-N 286.375 3.682 30 20 CHED N#Cc1csc(C(=O)NCCCCC2CCCC2)c1 437687468 NHWMEPDXESHNGQ-UHFFFAOYSA-N 276.405 3.710 30 20 CHED C[C@@H](Sc1ccccc1)C(=O)N(C)c1ccc(C#N)cc1 439937337 BTCYOPIUWYVZGB-CYBMUJFWSA-N 296.395 3.702 30 20 CHED Cc1ccc(Cc2noc(-c3ccc(C#N)s3)n2)s1 514691385 HNENRKMSNULYFN-UHFFFAOYSA-N 287.369 3.631 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1nccs1 334241015 WDELVCYISWSBBO-XHDPSFHLSA-N 283.400 3.743 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@H]2C[C@H]2C2CC2)c(C#N)s1 91208398 IEUVAPZKHXGKJW-QWRGUYRKSA-N 288.416 3.902 30 20 CHED Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc(C#N)[nH]c1C 336187163 QIHRNDCWYBINQP-UHFFFAOYSA-N 297.358 3.585 30 20 CHED Cc1nnc(S[C@@H](C)c2ccc(C#N)cc2)n1C(C)C 331187851 ZIGZRTYRERQBCP-NSHDSACASA-N 286.404 3.892 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 528423825 ISPUYCQJHWDPMG-ZIAGYGMSSA-N 264.413 3.647 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)C1(C#N)CCCCC1 521484377 YPEIPLZQPRSKAK-MRXNPFEDSA-N 282.387 3.573 30 20 CHED Cc1c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)ccn1C(C)C 340427952 GTPYIGBNCHUJIL-GUYCJALGSA-N 287.407 3.580 30 20 CHED Cc1csc(NC(=O)Cc2c[nH]c3ccccc23)c1C#N 344883909 AVNQCCCPVIVWDG-UHFFFAOYSA-N 295.367 3.591 30 20 CHED C=CC[C@@H](CO)N[C@@H]1CCc2c(Cl)cc(Cl)cc21 349744449 MQZPPQCDQSXQTE-IINYFYTJSA-N 286.202 3.507 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@H](C#N)c2ccccc2Cl)C1 246741082 UXQHYUVENXKMFV-LALPHHSUSA-N 290.794 3.847 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 346956804 NIJDCSLBBDYWMW-AEGPPILISA-N 297.402 3.755 30 20 CHED CC(C)CO[C@H]1C[C@@H](NCC(C)(C)CCC#N)C1(C)C 344467557 YTLWJMYVBNJVFP-CABCVRRESA-N 280.456 3.746 30 20 CHED CCC(C#N)(CC)c1nc(Cc2ccccc2Cl)no1 528068562 SKPXDVITBZYXPX-UHFFFAOYSA-N 289.766 3.895 30 20 CHED C[C@H](NCc1ccc(C#N)s1)[C@@H]1C[C@H]2CC[C@H]1C2 247355601 PTYFYKCRUOSFNI-ASHKBJFXSA-N 260.406 3.534 30 20 CHED CC(C)CCCn1nc(C(C)(C)C)c(CCC#N)c1O 431856559 FHQYOBCYYKLHRB-UHFFFAOYSA-N 277.412 3.779 30 20 CHED CCc1c(C)sc(NC(=O)C(C)(C)C(F)F)c1C#N 348202010 STDIMKIOKPGMCW-UHFFFAOYSA-N 286.347 3.720 30 20 CHED C=CCCCSc1n[nH]c(=Nc2ccccc2F)s1 605075976 BFAVDSCWOARQTK-UHFFFAOYSA-N 295.408 3.901 30 20 CHED CSc1cccc(F)c1CNc1c(C#N)cccc1C#N 343237445 VQCBYFJENHWTOZ-UHFFFAOYSA-N 297.358 3.903 30 20 CHED CC(C)N(CC1CC1)C(=O)c1ccc(C(C)(C)C#N)cc1 527230708 CMFJVANPOORZBU-UHFFFAOYSA-N 284.403 3.748 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)c(Cl)cc1F 439977419 ZTDJNFVKUKJVIE-LURJTMIESA-N 277.126 3.829 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cccc3nccn23)c1 255437079 NVZZAWOQNPISRN-SREVYHEPSA-N 276.339 3.847 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 604880259 LFDUEXAGHPRWFT-CABCVRRESA-N 289.419 3.967 30 20 CHED CC[C@@H](C)Sc1ccc(NC(=O)[C@H](C)C#N)c(C)c1 609843141 LTBLZEGOYGQJMA-VXGBXAGGSA-N 276.405 3.984 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccccc1)C(C)C 436314375 YVGOQRQCHWQVOX-FHWLQOOXSA-N 287.447 3.825 30 20 CHED N#CCN(C(=O)/C=C\Sc1ccccc1)c1ccccc1 254929361 CIXGQNBKIVZIHM-KAMYIIQDSA-N 294.379 3.849 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(C)cc(C)n1 437091754 GMUKEOQIJQLYQG-UHFFFAOYSA-N 282.343 3.516 30 20 CHED CO[C@@H](CSCC1(C#N)CC1)c1ccc(F)cc1 600637804 WMTYHSVTVBKKJT-ZDUSSCGKSA-N 265.353 3.550 30 20 CHED Cc1ccc(C(=O)COc2ccc(C#N)c(C)c2)c(C)c1 434647774 IAKXWTWBBJUPTJ-UHFFFAOYSA-N 279.339 3.745 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](CC)O1 347863825 ACRWZZARMJHMQO-IRXDYDNUSA-N 287.403 3.549 30 20 CHED Cc1cccc2c1CCN2[C@H](C)c1cccc(C#N)c1 600850374 YKMZRVSCYVQYAS-CQSZACIVSA-N 262.356 3.990 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCc1ccc(C(C)(C)C)cc1 349367911 QJNVJMZGWBPNRS-CQSZACIVSA-N 286.419 3.677 30 20 CHED CC[C@H](NC1CCC(C)(C#N)CC1)c1nc(C)cs1 449134476 JNFOOCRQIGUNRQ-OWYJLGKBSA-N 277.437 3.965 30 20 CHED N#CC1(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 343256426 YVPTVVZDZGZFAL-UHFFFAOYSA-N 294.320 3.974 30 20 CHED Cc1ccccc1CC(C)(C)NC(=O)c1cccc(C#N)c1 524495685 SMVUTMBNQQICAO-UHFFFAOYSA-N 292.382 3.618 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 609129465 UVTWUQXLAGTGNF-CHWSQXEVSA-N 298.308 3.531 30 20 CHED N#Cc1cc(F)cc(NCc2ccn(C3CCCC3)n2)c1 601924508 YSTVZVMMOVJEJH-UHFFFAOYSA-N 284.338 3.621 30 20 CHED Cc1cc(C#N)ccc1C(=O)N1CCCCC(C)(C)C1 353376115 AVXLGWDRKYCYHL-UHFFFAOYSA-N 270.376 3.519 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(C2CCC2)cc1 602634748 PIWSWEKXUBAXEX-AWEZNQCLSA-N 256.393 3.984 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](c1ccccc1)c1nc[nH]n1 449670654 QFNGNCLJQKNFMC-WBVHZDCISA-N 298.434 3.661 30 20 CHED Cc1ccc([C@@H]2CCCCCN2Cc2cccc(C#N)n2)o1 602478794 UXLULLSWRMEGPZ-KRWDZBQOSA-N 295.386 3.972 30 20 CHED C[C@@H](CCc1ccsc1)NCc1ccc(C#N)c(F)c1 449736460 MRFFINXEOSGLQA-LBPRGKRZSA-N 288.391 3.870 30 20 CHED C=CCCCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 533029579 YUTROHAETCEIGN-GOSISDBHSA-N 294.398 3.922 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H]1CCCCC)OCC 535189686 GRAPHLKXIUOWOO-CVEARBPZSA-N 281.440 3.929 30 20 CHED C=CCCCC[C@@H](C)NCc1csc(COC)n1 358430878 VKLKADGQZFNOTD-GFCCVEGCSA-N 268.426 3.514 30 20 CHED CC[C@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(C#N)cc1 447529146 KPKZJGZYWMYDMK-ROUUACIJSA-N 292.382 3.603 30 20 CHED C=CC[C@@H]1N(Cc2nc(C(C)(C)C)no2)CCCC1(C)C 444791887 NNBFERIYVRKLGZ-ZDUSSCGKSA-N 291.439 3.934 30 20 CHED CCCCn1ncc(NCc2cc(C#N)n(C)c2)c1C(C)C 359803811 OVTQKUPZAJNPGY-UHFFFAOYSA-N 299.422 3.629 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2cc(Cl)cc(Cl)c2)C1 442768987 PNAOFXCQNVSYRY-SMDDNHRTSA-N 283.202 3.818 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cn2)C1 617778526 INCDMMYFFLILTF-CQSZACIVSA-N 272.392 3.633 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(COc2cccc(F)c2)c1 357833718 QAHKCHKABZHLGL-LBPRGKRZSA-N 298.317 3.503 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCc3sc(Cl)cc32)C1 353576037 MJZCNEGBNWKEBS-YWVKMMECSA-N 266.797 3.671 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H](C)C(=O)c2ccccc2)C1 617783826 HQRIUKSMSFZOHZ-HOTGVXAUSA-N 299.414 3.710 30 20 CHED CC(C)[C@@H](NCCCCC(C)(C)C#N)C(=O)OC(C)(C)C 444675827 SFAALQCIGJVRLE-CQSZACIVSA-N 296.455 3.662 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC(C)(CC(C)C)CC1 356470897 GYQXJQCXGDJLIG-UHFFFAOYSA-N 288.391 3.748 30 20 CHED CCc1nc([C@H](C)Nc2ccc(Cl)c(C#N)n2)cs1 264771956 PGKUTKUERROVLF-QMMMGPOBSA-N 292.795 3.799 30 20 CHED C=CCC[C@H](NC[C@H](OC)C(C)C)c1ccco1 353521552 PZWYOKONJDDNGE-ZFWWWQNUSA-N 251.370 3.548 30 20 CHED CN(Cc1ccoc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 358113068 AAKRDQKBPYMBCA-UHFFFAOYSA-N 297.358 3.745 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 266920802 LCMPJNYEUOUHEE-ZANVPECISA-N 299.201 3.761 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H](c1ccccc1)c1nc[nH]n1 449670890 QMKDJVNXYLMHFI-SJORKVTESA-N 298.434 3.661 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CCc1ccc(Cl)c(Cl)c1 264803415 UNERKSBVDHVQAC-CYBMUJFWSA-N 299.201 3.590 30 20 CHED CC[C@@H](NC1CCC(C)(C#N)CC1)c1ccncc1 449160778 CNLDTDROGUYESC-HWOWSKLDSA-N 257.381 3.595 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cn(C)c2ccccc12 539435928 ZMUBYRJWNXUCQU-ZDUSSCGKSA-N 270.376 3.653 30 20 CHED N#C[C@]1(C(=O)N2CCC3(CCCC3)CC2)CC12CCCC2 449909942 CZACGNZQKQUFGO-SFHVURJKSA-N 286.419 3.643 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCc1cccc(F)c1F 539388808 SXGXXZRWURXUEH-GFCCVEGCSA-N 296.361 3.551 30 20 CHED C[C@@H](NC(=O)N1C2CCCC1CCC2)c1ccc(C#N)cc1 610348869 VOBUNWVYHAGUCX-NVPAJSRCSA-N 297.402 3.736 30 20 CHED CCCN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 538322829 ALQACNGJEZCUEZ-UHFFFAOYSA-N 297.320 3.811 30 20 CHED C=CCCOCCCCC(=O)N1CCC(CC)(CC)C1 537187850 BTOUJQZSDVOLLM-UHFFFAOYSA-N 281.440 3.788 30 20 CHED N#Cc1ccc(CNCc2cccc(F)c2F)cc1Cl 619748316 HUQDEBQMRJVNJP-UHFFFAOYSA-N 292.716 3.780 30 20 CHED C[C@H](c1c(F)cccc1F)N1CCC[C@@](C)(C#N)C1 612163136 ONDICJLKVXOLBS-ABAIWWIYSA-N 264.319 3.651 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)c1cccc(C#N)c1 610707777 PKINOSOPVLOOIN-XJKSGUPXSA-N 299.418 3.887 30 20 CHED N#Cc1cc(CN[C@@H](CC2CC2)c2ccccc2)ccn1 611395836 XCWLYFJDSXOTSG-SFHVURJKSA-N 277.371 3.584 30 20 CHED C=C(CC)CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 455548623 WJORUDFNTYQGER-AWEZNQCLSA-N 278.783 3.763 30 20 CHED Cc1ccc(CNCC(C)(C)CC#N)c(Br)c1 459683980 BNJKSJPKPNYYHL-UHFFFAOYSA-N 295.224 3.787 30 20 CHED C=CCC[C@@H](CO)N[C@H](CC)c1cc(Cl)ccc1OC 453376399 XBNJABSWDRUFPF-DZGCQCFKSA-N 297.826 3.716 30 20 CHED C#CCCCNc1ccc(C)c(NC(=O)C(C)(C)C)c1 270870451 BTXDLXRSORUICZ-UHFFFAOYSA-N 272.392 3.805 30 20 CHED Cc1cc(N[C@@H](C)c2ccc(Cl)cc2)nn1CCC#N 271019678 MBLQVEDOONOKBD-LBPRGKRZSA-N 288.782 3.932 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2nc3ccccc3s2)C1 278246829 MCFAFHJYMJBHGL-OLZOCXBDSA-N 285.416 3.511 30 20 CHED C=C(CC)CN[C@@H]1CCCc2nc(CC)sc21 453368369 QHHSPHKWRAPWDW-LLVKDONJSA-N 250.411 3.639 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 271462191 HTZYJVWHPOOSTO-LBPRGKRZSA-N 275.783 3.584 30 20 CHED N#Cc1ccccc1-c1ccc(CN2CC[C@@H](F)C2)cc1 451188934 DYEMFMITRVTRCE-QGZVFWFLSA-N 280.346 3.769 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)C(C)(C)C 622944495 VATBBAQBTINZLL-UHFFFAOYSA-N 288.366 3.663 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(CC#N)cc1 270325687 VWAADKSDTIZEOS-SFHVURJKSA-N 292.382 3.504 30 20 CHED C=CCCCc1nc(-c2ccc3[nH]ccc3c2)no1 547023597 GXHABCOKMHJCFE-UHFFFAOYSA-N 253.305 3.727 30 20 CHED CC(C)(C#N)CC(=O)N1CCCc2c(Cl)ccc(F)c21 278814999 ZNGCSDLJJPNFND-UHFFFAOYSA-N 294.757 3.698 30 20 CHED CCOCc1ccc(Nc2snc(C)c2C#N)cc1 360994580 JMTAYXYRFBVXDV-UHFFFAOYSA-N 273.361 3.603 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)CCc1ccccc1C 454908631 JJLIGWGXTFJWJF-INIZCTEOSA-N 274.408 3.534 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@@H]1c1cccnc1 370088806 HRUXTODIQQWLRP-OAHLLOKOSA-N 283.762 3.948 30 20 CHED Cc1ccc(CC2CCN(C[C@@H](C#N)CCC#N)CC2)cc1 374680300 PVSJGQYCSBGIFI-LJQANCHMSA-N 295.430 3.693 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C(C)(C)C 622944518 VYPXVGVJIICSJF-CHWSQXEVSA-N 293.357 3.881 30 20 CHED Cc1cccc(O[C@H](C)CNc2nc(C)cc(C)c2C#N)c1 462905171 CVPUDXDIKQQLBW-OAHLLOKOSA-N 295.386 3.758 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC 460374593 ILTBMMCIVPIGLU-GJZGRUSLSA-N 290.455 3.678 30 20 CHED CC(C)C[C@@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CCO1 272023076 PVZJUQIFPYNLLO-NWDGAFQWSA-N 293.798 3.612 30 20 CHED Cc1nsc(N2CC[C@@H](Cc3ccccc3)[C@H]2C)c1C#N 557630167 GGKLWERRGIQAMJ-HIFRSBDPSA-N 297.427 3.781 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(C#N)ccc1Cl 285810950 MRNSRJJFQQXBLU-ZYHUDNBSSA-N 276.767 3.615 30 20 CHED CCCCCCCC(=O)NCc1noc2c1CCCC2 288257396 PCTTWUFNQSLJGH-UHFFFAOYSA-N 278.396 3.530 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2cc(C)ccc2F)no1 289206962 YWOHORWDQBGDRV-MRXNPFEDSA-N 290.338 3.664 30 20 CHED C=CCSCCN[C@H](c1ncc[nH]1)C1CCCCC1 285974974 HILGMWZVTIGOPE-AWEZNQCLSA-N 279.453 3.540 30 20 CHED C=CC[C@H](C)N[C@H]1CCC[C@@H](c2ncccc2C)C1 281156263 BDUDPPBKNOEIKF-XHSDSOJGSA-N 258.409 3.970 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 280561069 AJYSKIVAQDMZHP-SHTZXODSSA-N 287.378 3.956 30 20 CHED C=CC[C@H](C)NC(=O)N1CCCn2c(cc3ccccc32)C1 288831748 KYGLKVGXSSJQEY-AWEZNQCLSA-N 297.402 3.521 30 20 CHED C=CCOCCCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 294132411 KZBYWHPWOUYCHJ-GOSISDBHSA-N 299.414 3.723 30 20 CHED CC#CC(=O)Nc1cccc(CCCc2ccccc2)c1 801148092 QMRAMWZKFGKHIV-UHFFFAOYSA-N 277.367 3.824 30 20 CHED CC(C)Oc1cccc([C@@H](C)OC(=O)CCCC#N)c1 291736198 MVIAUSDSAFFEMM-CYBMUJFWSA-N 275.348 3.772 30 20 CHED Cc1cc(F)ccc1COC(=O)[C@@]1(C#N)CC12CCCC2 297374510 VZCFACFZIXJSML-KRWDZBQOSA-N 287.334 3.651 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 292912444 VTGLXTRKIRKOMY-CQSZACIVSA-N 297.402 3.652 30 20 CHED CCn1cc(/C=C\C(=O)c2c(F)cccc2Cl)cn1 809159836 XNTUAEBXAWFMRZ-SREVYHEPSA-N 278.714 3.592 30 20 CHED CC(C)CN(CCC#N)C(=O)/C=C/c1ccc(Cl)cc1 706052551 DIJRFISMQYWPRP-RMKNXTFCSA-N 290.794 3.751 30 20 CHED Cc1cc(/C=C\C(=O)c2coc(C(C)C)n2)ccc1C#N 806557607 FQUSZQZTXUDKKZ-ALCCZGGFSA-N 280.327 3.874 30 20 CHED Cc1cccc(-c2ccc(CNC(=O)CCCC#N)cc2)c1 291685720 LYNQQFCJNOZXNS-UHFFFAOYSA-N 292.382 3.972 30 20 CHED CC(C)C[C@@H](C)CN(C)CCOCc1ccc(C#N)cc1 566318913 YTPNWRHJLYQASM-MRXNPFEDSA-N 288.435 3.689 30 20 CHED C#CCCCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 809287882 KTWCJUHXSVEFAX-UHFFFAOYSA-N 296.248 3.591 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C(C)C)no2)n1 560021978 NZKDRFYBEQQWPV-UHFFFAOYSA-N 261.325 3.702 30 20 CHED CC(C)c1nccnc1NN=C1C[C@H](C)c2ccccc21 807984775 FMZUULIJRAMERM-LBPRGKRZSA-N 280.375 3.923 30 20 CHED Cc1ccc([N+](=O)[O-])c(OCc2ccc(CC#N)cc2)c1 399031526 JUWQUNQXBMSAHX-UHFFFAOYSA-N 282.299 3.548 30 20 CHED Cc1cccc(CCSCCOc2cccc(C#N)c2)n1 563143533 ZGIITJUEHSCNDF-UHFFFAOYSA-N 298.411 3.616 30 20 CHED Cc1ncsc1/C=C/C(=O)c1nccc2ccccc12 811699257 PTKJCUMHQBKIHX-VOTSOKGWSA-N 280.352 3.896 30 20 CHED CC(=NOC1CCC1)c1ccccc1OC(F)(F)F 812235224 PLDRLPIVBRMRKL-UHFFFAOYSA-N 273.254 3.878 30 20 CHED CCCCCCCCN[C@@H](C)c1ccc(CN)nc1C 817912957 LHXDYTXNQMKZKT-AWEZNQCLSA-N 277.456 3.860 30 20 CHED C#CCN(C)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 812003734 JOWAYSVYZROULW-HNNXBMFYSA-N 290.382 3.578 30 20 CHED CN(Cc1ccc(C#N)s1)c1ccc(F)c(F)c1 569701356 OBXMAPBSVRMPPX-UHFFFAOYSA-N 264.300 3.534 30 20 CHED c1cnc2c(CNN=C3CC[C@H]3C3CCC3)cccc2c1 814803262 BTZRSEJUXXHVNP-INIZCTEOSA-N 279.387 3.891 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 489076240 PQHYNUGOMZAIOV-VNQPRFMTSA-N 298.430 3.984 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)OC1(CC#N)CCC1 810859488 LNYRRFLQPMHYKP-RYUDHWBXSA-N 275.373 3.540 30 20 CHED Cc1cccnc1NN=Cc1ccc2ccc(F)c(F)c2n1 814911502 KYGBLRUASUVXRK-UHFFFAOYSA-N 298.296 3.662 30 20 CHED C=CC[C@H](Cc1ccccc1)n1cc([C@@H](N)C(C)(C)C)nn1 656457829 RRACXTAQZJZHSN-NVXWUHKLSA-N 298.434 3.684 30 20 CHED C=CCN(C(=O)Nc1cccc(CC)c1CC)C1CC1 487640768 OMSGDHAHXMMFLD-UHFFFAOYSA-N 272.392 3.994 30 20 CHED Cc1cc(NN=C2CC[C@H](c3ccccc3)C2)nc(C)n1 814807070 DMYQXNGZKQGKEC-HNNXBMFYSA-N 280.375 3.829 30 20 CHED C=CCCCCCCCN1C(=O)[C@H]2C[C@H](C)CCN2C1=O 811841546 KMPQCDGVCYZUQF-HUUCEWRRSA-N 292.423 3.576 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(C(C)(C)C)c(Cl)c1 811260725 JREOLHXRHZVAQI-VIFPVBQESA-N 265.740 3.706 30 20 CHED C[C@@H](Cn1ccc2ccccc21)C(=O)OC1(CC#N)CCC1 810858135 MRSUJROLOYSJBC-AWEZNQCLSA-N 296.370 3.657 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1c(C)cccc1CC 489432724 GTYNKWHDOYDFLI-MRXNPFEDSA-N 286.419 3.536 30 20 CHED CC[C@H]1CN(Cc2cc(C#N)cs2)c2ccccc2O1 484738187 MRSCKQQQQFYTMM-ZDUSSCGKSA-N 284.384 3.797 30 20 CHED Cc1cc(F)ccc1NN=C1CCc2ccc(C#N)cc21 811645683 VWWVPMILABGEMH-UHFFFAOYSA-N 279.318 3.768 30 20 CHED Cc1c(C=NN2CCCC2=O)sc2c(Cl)cccc12 814891789 UXDFDMJSDDKBQS-UHFFFAOYSA-N 292.791 3.819 30 20 CHED C=CCC[C@@H](C(=O)NOC/C=C/Cl)c1ccccc1 812399832 VWTFPOWQUWINKK-DPQIITEBSA-N 279.767 3.537 30 20 CHED Cc1cc(Cl)cc(C=NNc2ccc(F)cn2)c1 814842891 UGVJWDUQAFSHKJ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCn1cc(CN[C@H](CCCCC)C(C)(C)C)nn1 818346398 DSTFNTHSQXPBQL-OAHLLOKOSA-N 278.444 3.549 30 20 CHED Cc1ccsc1-c1noc(COc2cccc(C#N)c2)n1 810314754 HZAIXIWXVIZAKR-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CCc1cccc(NC(=O)Cc2ccc(C#N)cc2)c1CC 489503506 XFKKPBUXANIREI-UHFFFAOYSA-N 292.382 3.864 30 20 CHED CCN(Cc1ccc(C#N)cn1)[C@@H](C)c1ccc(F)cc1 573264280 ZAXSCDQDZZRCPM-ZDUSSCGKSA-N 283.350 3.675 30 20 CHED Fc1ccc(F)c(C=NNc2cccc3cnccc23)c1 728432001 KHWFQPJVXFRSPQ-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C=CCCCCC[C@H](C)NCc1nn(C)cc1Cl 824758237 PCASEYNEZXYQBG-LBPRGKRZSA-N 269.820 3.688 30 20 CHED C=CCCCCCNc1cccc2c1CCN2C(C)=O 578959867 WQHLWEIIPOPGNO-UHFFFAOYSA-N 272.392 3.754 30 20 CHED C=CCn1cccc1C(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 490034066 QRKCORNOJVBGSO-KGLIPLIRSA-N 274.408 3.713 30 20 CHED C=CCN(CC1CCCCC1)C[C@@H]1CCSC1 494932147 CHPIFRYVOVNBBK-HNNXBMFYSA-N 253.455 3.808 30 20 CHED C=C(C)CNC(=O)c1ccc(-c2ccc(F)cc2)s1 490050172 ZZHKXIYEHHXQDS-UHFFFAOYSA-N 275.348 3.860 30 20 CHED CC(Cc1cccs1)=NNc1nc2ccccc2n1C 729637912 XPDHQCHRRYSGON-UHFFFAOYSA-N 284.388 3.665 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1ccncc1CC 664581251 GJPBLGXQKPAPAY-ZDUSSCGKSA-N 289.423 3.749 30 20 CHED Oc1cccc(C=Nc2cc(F)ccc2Cl)c1O 727973399 ZPCUZNPNUJYSQP-UHFFFAOYSA-N 265.671 3.641 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C/c2ccc(C#N)cc2)c1 821021974 LIQGXIUTUNHMLY-ZHACJKMWSA-N 290.366 3.516 30 20 CHED C/C(Cl)=C/C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 907434848 AWTOAFAMOAOCHC-LUAWRHEFSA-N 282.815 3.744 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](CC)c1nc(C)cs1 494889846 CUUMDLRTZOKQHD-QWHCGFSZSA-N 293.436 3.653 30 20 CHED C=CCCCCN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 827684693 FNKVGPWWJIQZMT-OAHLLOKOSA-N 296.455 3.532 30 20 CHED C=CCNC(=S)N[C@H](C)c1cccc(Cl)c1Cl 735423174 MPVGMRFPSBDVBY-MRVPVSSYSA-N 289.231 3.705 30 20 CHED N#CN(CCCCC1(C#N)CCC1)c1ccc(F)cc1 901548972 XLVUVGNMORFGSY-UHFFFAOYSA-N 271.339 3.977 30 20 CHED CC(=NNc1nccnc1Cl)c1cccc(Cl)c1 733079597 OISCIDFWGZRGEF-UHFFFAOYSA-N 281.146 3.620 30 20 CHED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1ccco1 588598791 BUVMQBUKSJSNPC-HJWRWDBZSA-N 264.284 3.566 30 20 CHED N#CCc1ccc(NC(=O)N2CCCCCCCC2)cc1 836245528 NRPDQWAWTUMKFP-UHFFFAOYSA-N 285.391 3.941 30 20 CHED CCCCCCCC(=O)N(CC1CC1)CC1CC1 734400540 VCZQYLPTOAUBHC-UHFFFAOYSA-N 251.414 3.996 30 20 CHED C#CCN(Cc1ccccc1)[C@@H](C)c1nc(CCCC)no1 839600368 BBQLGKVRNSZZBL-HNNXBMFYSA-N 297.402 3.609 30 20 CHED C=CCC1(NC(=O)/C=C/c2cncc(C)c2)CCCCC1 836957523 UUVKVGBSCVRCFG-BQYQJAHWSA-N 284.403 3.798 30 20 CHED CCCCCCCCCCNC(=O)N1CCC[C@@H](O)CC1 838515600 SQZBBQAAJMDKJZ-MRXNPFEDSA-N 298.471 3.684 30 20 CHED CC[C@H](N[C@H](C)CC(F)(F)F)c1cccc(C#N)c1 902958215 XVXFJQLTTZQKMZ-MFKMUULPSA-N 270.298 3.940 30 20 CHED C=CCC1(NC(=O)Nc2ccccc2CN)CCCCC1 904631462 LMOJWASHVBYIGW-UHFFFAOYSA-N 287.407 3.546 30 20 CHED Cc1ccccc1[C@@H](N=c1[nH]ccc(C#N)c1Cl)C1CC1 587977416 VHFAXWHJJIDCHB-INIZCTEOSA-N 297.789 3.900 30 20 CHED C#CCO[C@H](C)c1nc(-c2cc3cc(C)ccc3o2)no1 834722103 LRJRXZMCKXTAEO-LLVKDONJSA-N 282.299 3.502 30 20 CHED C#CCN(C(=O)[C@@H]1CSc2ccccc21)C1CCCCC1 735632581 FGDNEEXGISTPKL-MRXNPFEDSA-N 299.439 3.670 30 20 CHED C[C@H](CC#N)OC(=O)c1cc2c(s1)-c1ccccc1CC2 733711753 IWLDERPGTMYCFO-LLVKDONJSA-N 297.379 3.973 30 20 CHED CCCCCCCC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 735057191 DYEWWPZJIWTRHB-HOCLYGCPSA-N 264.413 3.936 30 20 CHED O=C(OCCC#Cc1ccccc1)C1(C(F)(F)F)CCC1 835181895 IILNIFOZNVSECB-UHFFFAOYSA-N 296.288 3.704 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2cccc3ccccc23)[nH]1 833311808 DIWOXYROYKTEMY-LUAWRHEFSA-N 291.306 3.762 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2cccc(C(F)F)c2)C1 839058976 NENDBGPZUMZFJJ-JSGCOSHPSA-N 293.313 3.792 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)CSC2CC2)s1 835387866 MCZCKMMCIBVLTK-SNVBAGLBSA-N 294.445 3.512 30 20 CHED C=C(C)CN(C)C(=O)c1cc2ccc(F)cc2s1 679204409 CUROXMOITLAVKV-UHFFFAOYSA-N 263.337 3.689 30 20 CHED C=CCCCCCN(C)Cc1ccc(OCC#N)cc1 739930838 PDFFSBUTCFCHBB-UHFFFAOYSA-N 272.392 3.767 30 20 CHED C[C@@H]1CC(=NNc2cccc3c2CCCC3)c2nccn21 834941660 JHOAKBFWUQFTRR-GFCCVEGCSA-N 280.375 3.543 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2c(C)noc2C)c1 916155926 OEBNGLCTQDSXGF-FPLPWBNLSA-N 255.317 3.804 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H](c2ccccc2)C2CC2)C1 839052916 HSOFBYOKMPTKKS-COXVUDFISA-N 283.371 3.806 30 20 CHED CC(C)(C)c1ncc(CNCCc2ccc(C#N)cc2)s1 594956138 VBKQJSJBXDFXSP-UHFFFAOYSA-N 299.443 3.645 30 20 CHED COCC(=NNc1ccc(C(C)C)cc1)C1CCOCC1 835018049 FSBAQFPKINJZBJ-UHFFFAOYSA-N 290.407 3.651 30 20 CHED N#C[C@H](NC(=O)/C=C\C1CCCCC1)C1CCCCC1 748720352 XSHGBDPHZYHAFQ-JNSOCZORSA-N 274.408 3.712 30 20 CHED Cc1sc(NC(=O)N(C)CC(C)(C)C#N)nc1C(C)C 596971281 VHFAHHGLZCVFEO-UHFFFAOYSA-N 294.424 3.588 30 20 CHED CC1=CC(=NNC(=S)Nc2ccc(C)cc2C)CC1 915913408 WNTDAVXVFFYZGG-UHFFFAOYSA-N 273.405 3.686 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CC(C#N)C1 590491781 JVAVMMRQGVACOD-SWKXRBFHSA-N 288.435 3.601 30 20 CHED N#CC1(CSc2ccc3[nH]ncc3c2)CCCC1 917852846 TZDUNDCETVMYPC-UHFFFAOYSA-N 257.362 3.739 30 20 CHED CCC(CC)CN(CC)C(=O)c1ccc(C=NOC)cc1 918573341 SGIRAFXYBOJMAR-UHFFFAOYSA-N 290.407 3.565 30 20 CHED Cc1cc(C)c(NN=Cc2cccc(OCC#N)c2)c(C)c1 743445304 NZFVCJXHEAWSQX-UHFFFAOYSA-N 293.370 3.960 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 597178490 YNPMJTQMFDCMLY-LLVKDONJSA-N 298.308 3.537 30 20 CHED COc1ccc(CNN=C(C)c2cc(C)ccc2OC)cc1 917547256 MGIUVCLABWYGGU-UHFFFAOYSA-N 298.386 3.526 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)CCCCCC 741643229 XJSLDPUDJADKOM-UHFFFAOYSA-N 277.339 3.747 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccccc2)oc1C 599083736 PHGHMIBVWWEWOK-CYBMUJFWSA-N 296.370 3.877 30 20 CHED COCc1cccc(/C=C2/Cc3c(C)cccc3C2=O)c1 742434812 NUVDDFKECWNVSS-YBEGLDIGSA-N 278.351 3.964 30 20 CHED CCCC[C@H](CC)CNC(=O)N1CCC[C@@H](CC#N)C1 595435568 QNQIQKQIEXAPOQ-GJZGRUSLSA-N 279.428 3.538 30 20 CHED C#C[C@H](OC(=O)C(C)(C)CC=C)c1ccc(F)cc1 842408674 WOBIHZLWBLCMFX-AWEZNQCLSA-N 260.308 3.646 30 20 CHED CCCCCCCCOCC(=O)N1CCC[C@@H]1C1CC1 741681951 MVBGLYVMMMEUCV-MRXNPFEDSA-N 281.440 3.765 30 20 CHED CCC(=NOCc1ccccc1)c1ccc2c(c1)OCCO2 917545905 KVYZVJLRBVIORL-UHFFFAOYSA-N 297.354 3.789 30 20 CHED C[C@H]1CC(=NNc2ccc(C#N)cc2)c2c(O)ccc(F)c21 915961919 KSIROZOXIAYUJJ-JTQLQIEISA-N 295.317 3.726 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 596824482 XUSFUYOKPAWTLE-FVQBIDKESA-N 276.424 3.601 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2nccc3ccccc23)c1 740760527 WNKGENJQZSGVRD-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C[C@@H](Cc1ccc(-c2ccccc2)cc1)NCCC#N 917010000 HPYYABUEAFYINC-HNNXBMFYSA-N 264.372 3.788 30 20 CHED CC(C)CC1(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 598403826 LZXRYGSSHCGAAB-UHFFFAOYSA-N 284.403 3.796 30 20 CHED CCCCCCCNC(=O)Nc1ccc(OC)cc1 916987486 IDDPXHIHWDOOCT-UHFFFAOYSA-N 264.369 3.787 30 20 CHED Cc1ccc(C(C)(C)CNCc2ccc(C#N)c(C)c2)nc1 598990442 DVSOQORTHHMGLL-UHFFFAOYSA-N 293.414 3.638 30 20 CHED C=CCCSCC/N=C/c1cc2ccccc2nc1O 849170643 RQLQPBWRXDLLGG-SFQUDFHCSA-N 286.400 3.669 30 20 CHED C=CCOc1ccccc1CNc1cnc2ccccc2n1 599944093 SJOPNNQPMRLFFH-UHFFFAOYSA-N 291.354 3.807 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2ccc(C3CC3)cc2)n1 598855958 BYLFDSLTOJMDRE-UHFFFAOYSA-N 291.354 3.700 30 20 CHED CCn1c(SCC2(CC#N)CC2)nc2ccccc21 594901662 LBLUDONGKWAZBI-UHFFFAOYSA-N 271.389 3.842 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(CC#N)c1ccc(Cl)cc1 592650944 CVVDNSRXLDZVPE-RYUDHWBXSA-N 278.783 3.879 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CCC)CCc1ccccc1 743621049 WJQVCEBPKVEKCK-OAHLLOKOSA-N 294.826 3.840 30 20 CHED Cc1cc(/C=C/C(=O)c2cc3c(s2)CCCC3)nn1C 840716894 OOSUCUQJQIBLAF-BQYQJAHWSA-N 286.400 3.565 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 753415404 FTJPVIAUJJHYFK-SSDOTTSWSA-N 297.141 3.934 30 20 CHED C=CCCN[C@H](C)c1ccc(N2CCCCC2)cc1 850502933 WYFZXCFDOZAPJN-OAHLLOKOSA-N 258.409 3.904 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1ccc(Cl)nn1 853259438 DXAPNPCYHHXCLX-SNVBAGLBSA-N 264.760 3.664 30 20 CHED C=C[C@H](CO)N[C@@H](C)c1ccccc1SC(C)(C)C 850571902 FDNMREPUXFGHJH-QWHCGFSZSA-N 279.449 3.775 30 20 CHED CCCC1CCC(=NNc2ccc(C(=O)OC)cn2)CC1 758116789 CRIAJMCDRAYPDW-UHFFFAOYSA-N 289.379 3.626 30 20 CHED C#CCCCC/N=C\c1c(O)ccc2ccccc12 758358469 JOBHLKWRKHGFTK-AQTBWJFISA-N 251.329 3.768 30 20 CHED CC(C)C(=NNCc1cccc2cccnc12)C1CC1 750937744 PUIKLCCDAOVRRN-UHFFFAOYSA-N 267.376 3.746 30 20 CHED FC(F)(F)c1cccnc1NN=C[C@H]1C[C@H]2C=C[C@H]1C2 755642916 IZJXUUDAELFSMT-GARJFASQSA-N 281.281 3.710 30 20 CHED CC1(CCCCOc2ccc(C#N)c(Cl)c2)OCCO1 853690513 HQDPPNNTJZVCGX-UHFFFAOYSA-N 295.766 3.524 30 20 CHED C#CCCN[C@H](c1ccc(F)cc1)c1cccs1 920416066 QSEIYLVBEUIOOF-OAHLLOKOSA-N 259.349 3.590 30 20 CHED C#CC[C@@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 757597434 LLXHVIGMHTVZMM-ZBTGYSDGSA-N 281.380 3.642 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C/c1cccs1 851201903 CNILDUDFHDPNFT-MLRMMBSGSA-N 263.362 3.633 30 20 CHED CC(C)CO[C@H]1CCN(CCCCC2(C#N)CCC2)C1 929835718 SAURVLXEFXDBDR-INIZCTEOSA-N 278.440 3.597 30 20 CHED Cc1cc(C(=O)OCc2ccc(F)c(C#N)c2)sc1C 758934496 YTHGVXKVSNHVAE-UHFFFAOYSA-N 289.331 3.733 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 753263814 JSLGHBMSZNGMNC-SQNIBIBYSA-N 298.430 3.766 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H]1COC 752839039 PKFDXQKAOYZDSD-OAHLLOKOSA-N 284.444 3.557 30 20 CHED CCCc1ccc(C=NN[C@H](C)C(F)(F)F)s1 857209731 DYSAJVNLZUTGRU-MRVPVSSYSA-N 264.316 3.575 30 20 CHED C/C(=C\C(=O)N(C1CC1)[C@@H](C)C#N)c1ccccc1Cl 855583868 KBJKQSYKANAOIV-ZKQHCESOSA-N 288.778 3.646 30 20 CHED C=C[C@@H](OC(=O)C1CCC(OC)CC1)c1ccccc1 851451943 NPCGUDWBVINOIV-UYSNPLJNSA-N 274.360 3.662 30 20 CHED CCC(CC)n1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)n1 851207847 IGTGJFPKPYSLAE-GFCCVEGCSA-N 291.395 3.729 30 20 CHED FC(F)(F)c1ccccc1ON=C1CCn2cccc21 754712850 VPIMOHDLXVJEKL-UHFFFAOYSA-N 280.249 3.694 30 20 CHED CCc1ccc(CCC=NNc2ccc([N+](=O)[O-])cn2)cc1 758113643 QNIDHDSSWLABIL-UHFFFAOYSA-N 298.346 3.583 30 20 CHED CCCCCCCNC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C 858113465 SJHXTXIVXYDHAB-NEPJUHHUSA-N 294.361 3.939 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)O[C@@H](C)CC(C)(C)C#N 851211010 XWXPKNDZSIIXBR-GXTWGEPZSA-N 281.396 3.596 30 20 CHED CCC(C[C@H](C)CC)=NNc1nc(O)c2ccccc2n1 757588805 HEZOKFKCRANNRQ-LLVKDONJSA-N 286.379 3.950 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccsc1C(F)F 935992521 JEPXULWNJGBUSY-UHFFFAOYSA-N 286.347 3.745 30 20 CHED CCCCCCCC(=O)NN1[C@H](C)CCC[C@H]1C 935611821 ATLAEZPUYYXSRE-ZIAGYGMSSA-N 254.418 3.641 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 933903374 MXYCFFFVSRYLJP-GJZGRUSLSA-N 297.402 3.652 30 20 CHED C#C[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc(C)cc1 860962649 RNSYHVPYRVWSHI-BZUAXINKSA-N 280.323 3.609 30 20 CHED Cc1cc(F)ccc1NN=CCCC1CCOCC1 764906982 BANQFLISAUGGKX-UHFFFAOYSA-N 264.344 3.739 30 20 CHED C#CCC(C)(C)COC(=O)/C=C\c1nc2ccccc2s1 760268858 RVEYZFNPGXLDOD-KTKRTIGZSA-N 299.395 3.902 30 20 CHED CCCCCCCCCn1cc(Cn2ccnc2C)nn1 864639135 WXFBSUDZSRJWNP-UHFFFAOYSA-N 289.427 3.582 30 20 CHED CC#CC(=O)Nc1ccccc1Oc1ccc(C)cc1 764118940 BTAYLNURDFIGTG-UHFFFAOYSA-N 265.312 3.749 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)Nc1sccc1C#N 931836809 BHDNWFNTXNLHMR-NSHDSACASA-N 297.383 3.771 30 20 CHED CC#CCCOC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 760281941 FRXABLAVHJIELK-LBPRGKRZSA-N 292.762 3.506 30 20 CHED C#CCCc1noc(C2(c3cccc(C)c3)CCCC2)n1 762018127 WKQFNINVZNVUKJ-UHFFFAOYSA-N 280.371 3.804 30 20 CHED C[C@H](OC(=O)C[C@@H]1CCC[C@H]1C)c1cccc(C#N)c1 769293574 OQXOSLUMUAWTEU-IPYPFGDCSA-N 271.360 3.989 30 20 CHED CCC[C@@H](C)c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1 761850658 USJOGXDXNNIQQD-VXGBXAGGSA-N 285.347 3.985 30 20 CHED C#C[C@H](OC(=O)c1coc(C2CCC2)n1)c1ccc(C)cc1 860961188 ADIBSUOAUIPWRQ-INIZCTEOSA-N 295.338 3.782 30 20 CHED C#CCCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 766896389 NKRIJKCDQRVDFW-CJNGLKHVSA-N 257.377 3.781 30 20 CHED C=CC[C@@H](N[C@@H]1CCc2ccccc21)c1ccncc1 766021496 UFPHOKPSSFVWBX-QZTJIDSGSA-N 264.372 3.976 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1sccc1OC 769744975 SSGUBDPDPQRULX-WAYWQWQTSA-N 288.368 3.970 30 20 CHED C#CCN[C@H](Cc1ccccc1)c1sccc1C 764599393 MLECIGIULPOGLH-OAHLLOKOSA-N 255.386 3.563 30 20 CHED C#CCCCNC1(c2cccc(C(F)(F)F)c2)CC1 766915843 IJGRDFQRLQSUGQ-UHFFFAOYSA-N 267.294 3.698 30 20 CHED N#CCCCOC(=O)c1nc(-c2ccccc2)oc1C1CC1 1115898295 MTLUWFCNCQDQRZ-UHFFFAOYSA-N 296.326 3.680 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1F 762442365 JPJIFPYALLGHAY-GQCTYLIASA-N 271.316 3.963 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1csc(C#N)c1 1118004770 WUUFCESIBRYJLZ-OLZOCXBDSA-N 276.405 3.564 30 20 CHED C=CCCC(=O)COC(=O)C[C@@H](CC)c1ccccc1 761406096 LUUSMNLMMHISNZ-CQSZACIVSA-N 274.360 3.649 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)CCCc1ccccc1 1119891317 SRAMPCJDUYFSBN-UHFFFAOYSA-N 292.382 3.572 30 20 CHED C[C@H]1CSC(SCC#Cc2cccc(Cl)c2)=N1 766296537 GERLMDOUGWVBAV-JTQLQIEISA-N 281.833 3.916 30 20 CHED C[C@H](CCC#N)CNc1ccc(OC[C@H]2CCCO2)cc1 876826749 HQRDZYXVWPFPIL-RHSMWYFYSA-N 288.391 3.596 30 20 CHED C#CCCCCCC(=O)NC(C)(C)CC(C)(C)C 779775632 GOCDAOGLPDJGDZ-UHFFFAOYSA-N 251.414 3.901 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 1116621474 VUZXNOYBVWHUHW-ZFWWWQNUSA-N 277.408 3.716 30 20 CHED C#C[C@H](N[C@H](C)c1ccccc1SCC)[C@H]1CCCO1 775571687 JFODEWQSKYQVGY-VNQPRFMTSA-N 289.444 3.630 30 20 CHED COc1ccc2cc([C@H](C)C(=O)OC[C@@H](C)C#N)ccc2c1 770902130 UCYWBBJVEMAFLX-STQMWFEESA-N 297.354 3.655 30 20 CHED C#CCCCCC(=O)OCCOc1ccc(F)cc1Cl 773634571 CJBJWCHSACNARH-UHFFFAOYSA-N 298.741 3.595 30 20 CHED CC[C@H](NCc1cccc(O[C@@H](C#N)CC)c1)C1CC1 772985788 YWBZUBREGPDKNB-WBVHZDCISA-N 272.392 3.646 30 20 CHED N#Cc1cccc(CN2CCC(Nc3ccccc3)CC2)c1 1116348439 DNQSHHKMZHUMLZ-UHFFFAOYSA-N 291.398 3.635 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1ccc(-n2cccc2)cc1 776373325 OMBBXURBWDDUCJ-UHFFFAOYSA-N 296.370 3.503 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1c(F)cccc1F 876951036 ZDFOWYXWZSUFRT-WDEREUQCSA-N 252.308 3.555 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)C1(F)CCCC1 772795439 WIXUTPWIWUWDDA-UHFFFAOYSA-N 280.726 3.517 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1ccsc1 777916034 CXLAHIBPFRQKTR-RQOWECAXSA-N 277.276 3.692 30 20 CHED C#CCCCCCC(=O)Nc1nnc(-c2ccccc2)s1 779744989 BAWVGJIBUKIKPK-UHFFFAOYSA-N 299.399 3.727 30 20 CHED CCC(CC)(CN[C@@H](C)CC1(C#N)CCOCC1)SC 877073243 GGYOKEAPXJWPPK-AWEZNQCLSA-N 298.496 3.597 30 20 CHED Cc1ncc(CCNc2ccc(C#N)c(Cl)c2)s1 771922160 MTKPKYHMWHYKMV-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C=C(C)CCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 775601516 CRDFTYFOLOOWCU-INMHGKMJSA-N 259.393 3.803 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccc3cc[nH]c23)c1 774233374 PORJBVSCAKGOHM-UHFFFAOYSA-N 291.379 3.958 30 20 CHED N#CC1(COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 775832037 VVIPQIQHWNLUTC-UHFFFAOYSA-N 294.354 3.507 30 20 CHED C#CC[C@@H](NC1CCN(C(C)(C)C)CC1)c1ccccc1 773114940 KZNUZZADDIBMBM-GOSISDBHSA-N 284.447 3.604 30 20 CHED O=C(/C=C\c1cc2ccccc2o1)c1cscn1 776190901 CMSAOLOHLBHWSN-WAYWQWQTSA-N 255.298 3.785 30 20 CHED C=CCCOCCCCC(=O)N1CCC2(CCCC2)C1 775760701 LNOMHWJVUZVUTE-UHFFFAOYSA-N 279.424 3.542 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(N(C)C)cc1 777402325 WWIHTYOITRXCEF-OAHLLOKOSA-N 293.414 3.817 30 20 CHED CC[C@H]1CC[C@H](C(=O)O[C@@H]2CCC[C@H](C#N)C2)CC1 1129609676 YNSCHJBBVCAWHU-ZQDZILKHSA-N 263.381 3.828 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H](OC2CCC2)CC1 1123848192 VGAKRHKHWAOQHK-INIZCTEOSA-N 279.424 3.539 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)c(F)c1 782195373 XLHKQQSBUDVYHO-ONEGZZNKSA-N 286.693 3.642 30 20 CHED C=CCCN(CC(F)(F)C(F)F)OCc1ccccc1 782667339 ARJSGZCFKAEXKB-UHFFFAOYSA-N 291.288 3.897 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 884025651 CRMCRBSJPLPLSO-INIZCTEOSA-N 288.435 3.528 30 20 CHED Cc1cc(COC(=O)c2cc(C#N)cs2)ccc1Cl 781175190 MEBZYHWGYXDVEF-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CC(C)(C#N)CCCOC(=O)C(F)(F)c1ccc(F)cc1 783202029 BOWKNOCZAOZINX-UHFFFAOYSA-N 299.292 3.791 30 20 CHED C[C@H](CC1CCC1)Nc1ccccc1O[C@H](C)C#N 780744294 LIAPTNXVMMYONU-CHWSQXEVSA-N 258.365 3.968 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCCCC1(C)C 1129071110 JJIHYPOXTBCDIH-OAHLLOKOSA-N 298.386 3.916 30 20 CHED Cc1cc2c(cc1C)C(=NOC[C@H]1CCOC1)CCS2 788037267 SIWXHJZDNMXUQQ-ZDUSSCGKSA-N 291.416 3.556 30 20 CHED Cc1cc(NN=Cc2ccc(SC(F)F)cc2)ncn1 781594726 RWSDMWWBKWYMCP-UHFFFAOYSA-N 294.330 3.546 30 20 CHED C#CCCCCCC(=O)Oc1c(F)cccc1Cl 780025947 WLJXAZAARVZOTG-UHFFFAOYSA-N 268.715 3.968 30 20 CHED CC(Cc1ccccc1F)=NNc1nncc2ccccc12 780188384 JXKCHXLLPCBOJL-UHFFFAOYSA-N 294.333 3.799 30 20 CHED Cc1nsc(N(C)C(=O)[C@@H]2CCCC(C)(C)C2)c1C#N 891431051 WVBPLESNWAHGTP-LLVKDONJSA-N 291.420 3.502 30 20 CHED COc1ccsc1C(=O)/C=C/c1cn2cc(C)ccc2n1 789147622 KEILSVYWMRWYAZ-SNAWJCMRSA-N 298.367 3.609 30 20 CHED C#CCC1(C(=O)N2CCCC[C@@H](C)C2)CCCCC1 788251747 XYLOXDQDIFYJGV-OAHLLOKOSA-N 261.409 3.609 30 20 CHED Cc1ccc2[nH]cc(C(=O)OCc3ccccc3C#N)c2c1 780247763 SSTMQXUMJWEVJE-UHFFFAOYSA-N 290.322 3.705 30 20 CHED Cc1cccc(C(=O)/C=C/c2cn(C)nc2C2CC2)c1 899340905 OMTVXXHFYFEVML-CMDGGOBGSA-N 266.344 3.502 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(N)cc1C 783880406 HZFJHJNKEARFAS-UHFFFAOYSA-N 298.777 3.938 30 20 CHED CC#CCCCC(=O)O[C@@H](C)C(=O)c1cccc(Cl)c1 784756771 PFIFNSGSTPVHIX-LBPRGKRZSA-N 292.762 3.648 30 20 CHED Clc1cc(Cl)cc(C=NNCCc2ccncc2)c1 789098103 OIHHGCHVEKTMAB-UHFFFAOYSA-N 294.185 3.555 30 20 CHED C[C@H](CCC#N)CNc1cccc(-c2ccon2)c1 897386937 USANYJYQDCTXNR-GFCCVEGCSA-N 255.321 3.693 30 20 CHED C[C@@]1(C#N)CCCN(C(=S)Nc2cccc(Cl)c2)C1 783774243 RSDBVGZUQRFFLU-AWEZNQCLSA-N 293.823 3.662 30 20 CHED CCOc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1F 782351071 HQPCVDKMXKIEFO-NTUHNPAUSA-N 298.313 3.752 30 20 CHED CCC[C@H](C)C(=O)OCc1ccc(Cl)cc1C#N 780036359 ZKZNFGFNMPICLA-JTQLQIEISA-N 265.740 3.691 30 20 CHED CC(C)CN(Cc1ccccn1)Cc1cc(C#N)cs1 896665263 QISQVBRSEQEWRP-UHFFFAOYSA-N 285.416 3.673 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2ccco2)cc1 83201396 RTGLWPPSRBATTB-JXMROGBWSA-N 256.301 3.963 30 20 CHED Cc1ccc(CC(=NNc2cccc(F)n2)C2CC2)cc1 795007662 LEBNZBZMPGHYLZ-UHFFFAOYSA-N 283.350 3.950 30 20 CHED Cc1ccc(NC(=O)NCc2ccc(C#N)c(F)c2)cc1C 1202829532 GSKXMKBORSWCNC-UHFFFAOYSA-N 297.333 3.636 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc2c(c1)CCCC2 792886309 SDOUZSHLQALGOW-PKNBQFBNSA-N 294.398 3.812 30 20 CHED CCC(Cc1ccccc1)=NNc1ncccc1C 790193136 VCMWDZNQYDGCOF-UHFFFAOYSA-N 253.349 3.811 30 20 CHED C[C@H](NN=C1CCC2(CCOCC2)CC1)C(C)(C)C 793114295 KLYHSDWEOGGAMG-ZDUSSCGKSA-N 266.429 3.737 30 20 CHED COc1ccc(NC(=O)c2cc3occc3s2)cc1C#N 1132547937 UOKKZAXZDIYGFB-UHFFFAOYSA-N 298.323 3.627 30 20 CHED C=C(C)CCNCc1ccccc1Br 168967552 CZVOOCXOPBTDNF-UHFFFAOYSA-N 254.171 3.505 30 20 CHED Cc1c(C(=O)OCCCCC#N)sc2ccc(C#N)cc12 796613574 BFMJTFCWUMNKTJ-UHFFFAOYSA-N 298.367 3.932 30 20 CHED CSc1ccccc1COC(=O)c1cc(C#N)oc1C 797884843 YDHBNWAJJIYYIF-UHFFFAOYSA-N 287.340 3.539 30 20 CHED CC(C)=CCOC(=O)C[C@H](CC#N)c1ccccc1 796806380 AATKJXORXRWTER-HNNXBMFYSA-N 257.333 3.583 30 20 CHED Fc1cc(F)c(C=NNc2cccc(Cl)n2)cc1F 793174105 JFUSRMKRMLONGZ-UHFFFAOYSA-N 285.656 3.598 30 20 CHED Cc1ccnc(NN=C[C@H](OC(C)C)c2ccccc2)c1 793026855 NPBPTRKXOWZSBB-INIZCTEOSA-N 283.375 3.954 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1nccnc1C(C)C 797788173 LHWWPHQNSSABKH-UHFFFAOYSA-N 298.415 3.830 30 20 CHED CC(C)N(CCC#N)Cc1ccc2c(c1)CCCC2 584756936 DIJKEAWTQPXFQR-UHFFFAOYSA-N 256.393 3.689 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccccn1 796784436 UXBZBFSUTGWGBN-FPCVCCKLSA-N 282.387 3.864 30 20 CHED Cc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1C#N 799342274 NNBGOVKKTRWFHC-UHFFFAOYSA-N 285.372 3.699 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(F)cc1C#N)CC2 1141164212 QGIDMLOVCGTMQB-UHFFFAOYSA-N 280.346 3.564 30 20 CHED COCc1cccc(/C=C2\COc3cc(F)ccc3C2=O)c1 794728446 QAIBZFVUTMYSRV-RIYZIHGNSA-N 298.313 3.631 30 20 CHED CC(C)[C@@H]1CCCC(=NNc2ncccc2[N+](=O)[O-])C1 794519327 AWGJWCWLMGPCNO-LLVKDONJSA-N 276.340 3.604 30 20 CHED C#C[C@@H](NC(=O)N(CC)[C@@H](CC)c1ccccc1)C(C)C 798551531 BNPKIESCFCTZCK-SJORKVTESA-N 286.419 3.827 30 20 CHED Cc1ccc2c(c1)OCCCC2=NNc1ncccc1C 790187768 ZWDDYLQREZLTLL-UHFFFAOYSA-N 281.359 3.687 30 20 CHED Cc1ccccc1OC(=O)C[C@@H](CC#N)c1ccccc1 796506165 KVFCAHYRGZJISY-MRXNPFEDSA-N 279.339 3.988 30 20 CHED N#Cc1ccc(CNN=C/C=C\c2ccc(F)c(F)c2)cc1 794920793 SRHGAUIHQJXRBI-UIXGIWCNSA-N 297.308 3.625 30 20 CHED COc1ccc(CNc2ccc(F)cc2C)cc1C#N 87822433 AHWDSIHTMQXZSR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCCCCCCCS[C@@H](C)c1nncn1C 1323664595 OTUJNDMNFBLICR-LBPRGKRZSA-N 255.431 3.970 30 20 CHED C(=NOC[C@H]1CCOC1)C1CCC(c2ccccc2)CC1 1321653735 ZGBUUOLDNMDQBH-PQUAAJSLSA-N 287.403 3.999 30 20 CHED Cc1cccc([C@@H](C)NC(=O)CC#Cc2ccccc2)c1C 1323875605 GNLFRVKKBNWAHK-QGZVFWFLSA-N 291.394 3.922 30 20 CHED C[C@H](NC(=O)CC#Cc1ccccc1)C1CCCCC1 1325947785 QOQCDAZCQOKLMC-HNNXBMFYSA-N 269.388 3.513 30 20 CHED CCC(CC)CC(=O)Nc1ccc(Cl)cc1C#N 1532393131 WLGIHVGTCHLWFJ-UHFFFAOYSA-N 264.756 3.976 30 20 CHED CC(F)(F)C1(C(=O)OCc2ccc(C#N)cc2Cl)CC1 1333306214 ADNVWGJISJYRGY-UHFFFAOYSA-N 299.704 3.690 30 20 CHED C=C(C)CCC(=O)NCCCn1ccc2ccccc21 1335500033 YZYXXNRPRBFVKJ-UHFFFAOYSA-N 270.376 3.504 30 20 CHED C=CCC[C@H](C(=O)OCc1cnn(CC)c1)c1ccccc1 1343848496 GIISQIHHOFTYOT-KRWDZBQOSA-N 298.386 3.696 30 20 CHED C=C(C)CCC(=O)Oc1cc2cnccc2cc1OC 1344613664 NFSIGFQODLTHHI-UHFFFAOYSA-N 271.316 3.505 30 20 CHED C[C@H](SCCOc1ccccc1C#N)c1cccnc1 1346896249 YRLRDCBHMVOMPW-ZDUSSCGKSA-N 284.384 3.826 30 20 CHED CC(Cc1ccc(O)cc1)=NNc1ccc(C(C)(C)C)nn1 1347633685 APYXAFANJBFPRQ-UHFFFAOYSA-N 298.390 3.510 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)CCc1ccc(F)cc1 1349906904 NAZLAQPOCYQZNJ-CZUORRHYSA-N 290.382 3.545 30 20 CHED C[C@]1(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1c1ccccc1 1358424726 OHJDOUWSZCLJNB-QAPCUYQASA-N 294.329 3.830 30 20 CHED CCC(C#N)(CC)C(=O)NCC1(OC(C)C)CCCCC1 1516210708 NRPPRANSONPKGW-UHFFFAOYSA-N 294.439 3.560 30 20 CHED CCCC[C@H](CC)CC(=O)N(C)c1snc(C)c1C#N 1525008917 WOVNWTOKOPXXMP-LBPRGKRZSA-N 293.436 3.893 30 20 CHED Cc1ccc(C(=O)Nc2scc(C)c2C#N)c(F)c1F 1525498193 NYWOWMHQEKBKBQ-UHFFFAOYSA-N 292.310 3.767 30 20 CHED C[C@H](C(=O)Nc1cc(CC#N)ccn1)c1ccc(Cl)cc1 1525327222 QKQHTTQVPNUFBI-NSHDSACASA-N 299.761 3.543 30 20 CHED O=C(O)/C=C\c1ccc(/C=C/C(=O)C2CCCCC2)o1 1601877713 TZJACFYILUGDSU-GOOGBFEESA-N 274.316 3.540 30 20 CHED C[C@H]1C[C@H](CC(=O)NCC(C)(C)CC#N)CC(C)(C)C1 1460810325 PHPQIHVJNQDOPH-UONOGXRCSA-N 278.440 3.895 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 1537592895 CYBDIQCGLVNKKG-ZBFHGGJFSA-N 284.403 3.811 30 20 CHED Cc1csc(CNC(=O)Nc2scc(C)c2C#N)c1 1476559212 QKXBUNHUPGJCKU-UHFFFAOYSA-N 291.401 3.620 30 20 CHED N#Cc1ccc(CSc2ncnc3ccsc23)s1 1472968088 VTNGSVLTAIJQAP-UHFFFAOYSA-N 289.410 3.917 30 20 CHED Cc1cc(S[C@H]2CCOc3ccccc32)c(C#N)cn1 1612112275 JZLAKCCOVLZXAH-HNNXBMFYSA-N 282.368 3.878 30 20 CHED Cc1cccc(CC2CN(Cc3ccc(C#N)c(C)c3)C2)c1 1560942555 BMCIEUFGHNMUCR-UHFFFAOYSA-N 290.410 3.850 30 20 CHED N#Cc1nc(N[C@@H]2CC23CCCCC3)sc1Cl 1642513355 XKSQSSRQBFLITH-SECBINFHSA-N 267.785 3.803 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)n1 1642442207 YACWNCUMPUVQHZ-UOVKNHIHSA-N 281.403 3.707 30 20 CHED CC[C@H](CC#N)NC/C=C\c1c(C)cc(C)cc1C 1657118793 OALYJDUSOQBZFN-MWWKQMNYSA-N 256.393 3.907 30 20 CHED CC[C@H](CC#N)NC/C=C\c1cc(C)c(C)cc1C 1658141192 WJBKECZJOYAKEB-JTGQJZMRSA-N 256.393 3.907 30 20 CHED CCc1cccc2c1N(Cc1cc(C#N)ccc1OC)CC2 1657668813 ZZLCELCIEFFEQU-UHFFFAOYSA-N 292.382 3.692 30 20 CHED C#CCC1(NCc2ccc(C(=O)O)c(C)c2)CCCCC1 1588427645 HAMBJAYFJZGWJR-UHFFFAOYSA-N 285.387 3.509 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCCc2ccccc2C)c1 1662642301 DUIVJJPEFPJANH-UHFFFAOYSA-N 293.370 3.539 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2cc(C#N)ccc2F)C1 1596936192 GIOOMQNWTLVUCS-PJXYFTJBSA-N 274.339 3.708 30 20 CHED Cc1cc(Cl)cc(C=NNc2ccccc2C(=O)O)c1 1776030672 DTWFITXXBOARML-UHFFFAOYSA-N 288.734 3.793 30 20 CHED COC(=O)c1ccc(CSCCCCC#N)cc1F 161940011 DXPBIDVXSVDYPE-UHFFFAOYSA-N 281.352 3.539 30 20 CHED N#Cc1ccccc1CN[C@H](Cc1ccccc1)C1CC1 162810565 KUFPIPKLONKDIN-LJQANCHMSA-N 276.383 3.669 30 20 CHED CN(C[C@@H]1CCCCO1)c1ccc(C(F)(F)F)c(C#N)c1 164430298 XHAIAZKZFSPTAW-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED CCC(CC)n1ncc(C(=O)Nc2cccc(C#N)c2)c1C 155149953 JTPCLROFYQXYAI-UHFFFAOYSA-N 296.374 3.677 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(F)cc1C 157772353 WPJGYUORYXRYLZ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 156360803 USQGRCJJWJDXDM-AWEZNQCLSA-N 295.386 3.685 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc([N+](=O)[O-])c1C 156756251 WNUMGMVWTRRDPD-UHFFFAOYSA-N 290.363 3.722 30 20 CHED CN(CCC#N)c1ccc(-c2nc3cccc(F)c3[nH]2)cc1 154761117 SFOJTSNQUQSBFJ-UHFFFAOYSA-N 294.333 3.719 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CC)CCO)cc1 159222052 QIOOPTMURMFLHJ-HIFRSBDPSA-N 297.826 3.630 30 20 CHED COc1cccc(CCCN(C)Cc2cccc(C#N)c2)c1 159061740 FLBHLJZKCKKMBA-UHFFFAOYSA-N 294.398 3.631 30 20 CHED COc1cc(CNc2cccc(Cl)c2)ccc1C#N 234907328 XQQSZTJBSWWLOC-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@H](Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1C#N 25575037 MBPGJPDUTXRMKD-SNVBAGLBSA-N 287.344 3.571 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(F)c(Cl)c1 178622220 KVEROGQBMVYKRC-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1cc(N2CCC[C@H]2CF)ccc1C(F)(F)F 294283114 XVLDFVWNNFZXQR-NSHDSACASA-N 272.245 3.515 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)cc2)CN1Cc1ccccc1 301641448 YZWPDTMMEHBDIU-KXBFYZLASA-N 291.398 3.633 30 20 CHED Cc1cc(NCc2ccc(Cl)cc2)cc(C#N)n1 308267381 LEFNWMDMZWQHAT-UHFFFAOYSA-N 257.724 3.527 30 20 CHED N#CCOc1cccc(NCc2cccc(O)c2Cl)c1 328249708 SHQVJAFDKXZJKC-UHFFFAOYSA-N 288.734 3.560 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(CC#N)cc2)CC1 440451995 KHRMMTZKCXWMMB-UHFFFAOYSA-N 256.349 3.517 30 20 CHED Cc1ccc(Cl)cc1C(=O)N1CCC(CCC#N)CC1 335384506 ILUWPKRHAKBYJL-UHFFFAOYSA-N 290.794 3.804 30 20 CHED Cc1nc(C)c(CNc2nc(C)c(C#N)cc2Cl)s1 336816358 LRGLQZMDKBRJDU-UHFFFAOYSA-N 292.795 3.601 30 20 CHED COc1cc(C)ccc1NCc1cccc(C#N)c1F 342437286 JAGVLQJMPAAWOL-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCCCCCCNCc1cn(C)nc1C(C)(C)C 703779869 KPFKBYOBAQDNGD-UHFFFAOYSA-N 265.445 3.778 30 20 CHED CC(C)(C)[C@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 708421857 VYRSJITWQHBSNK-VIFPVBQESA-N 283.828 3.931 30 20 CHED N#Cc1cccc(-c2nc(CC3CCCCC3)no2)c1 380838552 WQKUEMFSLPWDAY-UHFFFAOYSA-N 267.332 3.731 30 20 CHED Cc1cc(OCCOC(C)(C)C)c(C)c(C)c1C#N 388181757 XTBLITMMNUVQSW-UHFFFAOYSA-N 261.365 3.677 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cccc(OC(F)(F)F)c1 903100310 NJFKOJCFDMUUTO-JTQLQIEISA-N 286.297 3.786 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC)c(OC)c1Cl 393811556 WKZVUMIPEXMGMQ-LBPRGKRZSA-N 283.799 3.802 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1C 729073778 RCWJEYPKFILGIL-NSHDSACASA-N 268.740 3.535 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 398196751 ULBMMHGXNBVCJA-OLZOCXBDSA-N 262.353 3.990 30 20 CHED Cc1cc(C(=O)N[C@@H](C)C#N)sc1-c1ccc(F)cc1 102340821 WHPOLOWMCVOSFL-JTQLQIEISA-N 288.347 3.505 30 20 CHED C=CC1CCN(Cc2ncc(-c3ccccc3)o2)CC1 111260403 KIIHNMSBLXLCMU-UHFFFAOYSA-N 268.360 3.740 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1ccc(Cl)cc1 178940952 JWYLAOLBPLIQMJ-CMDGGOBGSA-N 282.730 3.884 30 20 CHED C=CCC[C@@H](NCc1cnn(Cc2ccccc2)c1)C1CC1 178675263 UJFYUTVKWREHKS-LJQANCHMSA-N 295.430 3.766 30 20 CHED C[C@@H](CC(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 57462752 XNACGSXSMHXUQO-ZDUSSCGKSA-N 296.345 3.507 30 20 CHED CCCCCCCC(=O)N[C@H]1CCc2c(O)cccc21 102824962 GHIGKNZBNMFILL-HNNXBMFYSA-N 275.392 3.856 30 20 CHED C=CCCC(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 115150243 YCXGOATXADAMMI-UHFFFAOYSA-N 287.388 3.727 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)Cc1cccc2ccccc12 116973097 VHHWMOZEVIAPSR-CQSZACIVSA-N 282.387 3.946 30 20 CHED N#Cc1ccc(CC(=O)N2CCC3(CCCCC3)CC2)cc1 170659903 GCBHFMZDVRCKRQ-UHFFFAOYSA-N 296.414 3.674 30 20 CHED Cc1ccc([C@@H]2CSCCN2CCCCC#N)cc1 116324330 YTXTZOCDSZLLTP-INIZCTEOSA-N 274.433 3.779 30 20 CHED C=C(C)CNCc1cc(Cl)ccc1OC[C@H]1CCCO1 119652479 CBLIGOCENZPQFM-OAHLLOKOSA-N 295.810 3.564 30 20 CHED C=CCCCCNC(=O)c1cc(Br)ccc1C 310373597 OQPFICNNBGPDEH-UHFFFAOYSA-N 296.208 3.844 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1scnc1C 119274579 QJSREOSPEWYVLF-UHFFFAOYSA-N 285.416 3.735 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(Oc2ccccc2)nc1 116857517 VNXMOCDYOKHRNW-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED Cc1c(C(=O)OCC2(CC#N)CC2)oc2c(C)cccc12 174748066 GLIDEJOYOVUWKD-UHFFFAOYSA-N 283.327 3.900 30 20 CHED CC(C)c1ccc(CSc2ccc(C#N)nn2)cc1 179296067 HQOBYSYIJFKEMH-UHFFFAOYSA-N 269.373 3.764 30 20 CHED C=CC1CCN(CCCc2nc(-c3ccccc3)no2)CC1 111259634 BUNLNOGCXXHDKN-UHFFFAOYSA-N 297.402 3.567 30 20 CHED C=CCSc1nnc(-c2cc3ccccc3o2)o1 176795294 ZXXFLVFQSAEZKL-UHFFFAOYSA-N 258.302 3.761 30 20 CHED N#CC1(c2nc(-c3cccs3)no2)CCCCC1 177719576 MXDFLAPXFFMOKA-UHFFFAOYSA-N 259.334 3.524 30 20 CHED CCO[C@@H](CNc1ccc(F)cc1C#N)c1ccccc1 302822619 KTMOCMATIPZINW-KRWDZBQOSA-N 284.334 3.887 30 20 CHED C=CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 110364145 OFMFFNRFRHCUFQ-HOTGVXAUSA-N 289.806 3.868 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc([N+](=O)[O-])cc1C#N 301372821 UGDLYZDCBGBWOU-LALPHHSUSA-N 285.347 3.624 30 20 CHED COC1(CNc2c(C#N)cnc3ccccc23)CCCCC1 302475116 XEAHQJCEINNPDO-UHFFFAOYSA-N 295.386 3.868 30 20 CHED N#CC1(c2nc(Cc3ccc(Cl)cc3)no2)CCCC1 177729494 ALILGLGBIGAYIA-UHFFFAOYSA-N 287.750 3.649 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)o1 311118261 TXCUHSZHIWZEDO-UHFFFAOYSA-N 281.098 3.710 30 20 CHED C=CCOc1ccc(O[C@H](C)C(=O)Nc2ccccc2)cc1 174235065 ZQKDAPKDESPDLR-CQSZACIVSA-N 297.354 3.657 30 20 CHED N#Cc1ccc(N[C@@H]2CCCc3c(O)cccc32)cc1 302648629 BDRNSKXDOPBOKT-MRXNPFEDSA-N 264.328 3.753 30 20 CHED C=CCNC(=O)CS[C@@H](CC)c1ccc(Cl)cc1 171245576 ILTCDZHALHHHDO-ZDUSSCGKSA-N 283.824 3.827 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 128487124 KQEPJHYYYKYGBL-CZUORRHYSA-N 288.391 3.506 30 20 CHED Cc1ccc(N/C(N)=N/CC2(C)Cc3ccccc3C2)cc1 305745946 PBYWNQDLHIMFJS-UHFFFAOYSA-N 293.414 3.527 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(C#N)c1 431761728 VQZUPLREVLJGOG-UHFFFAOYSA-N 262.740 3.752 30 20 CHED Cc1c(C(=O)/C=C/c2c(F)cccc2F)cnn1C(C)C 188888517 OWUWMDFINQCABB-BQYQJAHWSA-N 290.313 3.947 30 20 CHED C=C(C)CN[C@H](C)c1oc2ccc(OC)cc2c1C 184327202 HMQHYIQRYDGZDC-GFCCVEGCSA-N 259.349 3.977 30 20 CHED CCCOCc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 185785125 GWDPPMKCGFFQDD-YJBOKZPZSA-N 286.419 3.785 30 20 CHED Cc1csc([C@@H](C)CN[C@@H](C)c2cccc(C#N)c2)n1 186568306 LDQCFJMWMSUFEE-AAEUAGOBSA-N 285.416 3.778 30 20 CHED C=C(C)CN(C)C(=O)CCc1ccc(Cl)cc1Cl 180418569 OVNHUYOWMPRKIH-UHFFFAOYSA-N 286.202 3.961 30 20 CHED CC(C)C[C@@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N 184297508 PYABQMHFRMAZBJ-OLZOCXBDSA-N 289.379 3.534 30 20 CHED N#CCc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1 120875457 PLFOQVJLHODLEZ-GOSISDBHSA-N 290.366 3.885 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1cc2ccccc2o1 186376803 RESMTBRZFOOJCD-FNORWQNLSA-N 267.259 3.863 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)CC1CCC1 74234462 QYMUHXDMEZTPDU-UHFFFAOYSA-N 293.750 3.706 30 20 CHED C[C@@H]1CCC[C@](CN[C@H](C)c2cccc(C#N)c2)(N(C)C)C1 314917606 MQZULGGJAKFLCX-MDZRGWNJSA-N 299.462 3.719 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cc3c(cc2Cl)OCCO3)C1 185876429 ZODLSUWGQVETFP-GHMZBOCLSA-N 292.766 3.605 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 506973646 UKXMLOQTGOBWSO-SSDOTTSWSA-N 290.697 3.637 30 20 CHED CCc1ccc([C@H](C)C(=O)N(C)c2ccccc2C#N)cc1 508103656 OYMNKQHAGFALEY-AWEZNQCLSA-N 292.382 3.887 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)Cc1cccc(C2CC2)c1 415387988 HLVLLZCCAFLOFC-GOSISDBHSA-N 284.403 3.551 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2nccs2)C1 187669591 QHXLMGOATICDMG-BBRMVZONSA-N 297.427 3.955 30 20 CHED N#Cc1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1 500209015 WWBUXPKVGGPSAB-UHFFFAOYSA-N 299.761 3.576 30 20 CHED CC(C)(NCC#Cc1cccc(Cl)c1)c1nccs1 122130409 NNQCGKHCPRAUID-UHFFFAOYSA-N 290.819 3.673 30 20 CHED Cc1ccc(CNc2nccc(C#N)c2Cl)s1 235903440 WVYRMYIUTMDYHX-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1cc2ccccc2o1 182624816 SHTAEJXSHFGRBA-STQMWFEESA-N 267.332 3.527 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc2c(c1)OCCO2 211799668 LFPUVXVIMJTZPI-HYXAFXHYSA-N 286.352 3.724 30 20 CHED Cc1cc(C#N)ccc1COc1cccc(-n2ccnc2)c1 185998598 VSONADYRFSOMDA-UHFFFAOYSA-N 289.338 3.631 30 20 CHED C=C(C)CCc1noc([C@H]2Cc3ccccc3S2)n1 508639152 UVCCVLVTYGEONA-CYBMUJFWSA-N 272.373 3.968 30 20 CHED C=CCN(CC=C)C(=O)NCc1c(C)oc2ccccc12 185596850 ZPLWLMQNGITUHH-UHFFFAOYSA-N 284.359 3.625 30 20 CHED CC#CCCCC(=O)Nc1cc(-c2ccc(C)s2)n[nH]1 186415791 FOAYROFVWAHXJS-UHFFFAOYSA-N 287.388 3.579 30 20 CHED C=CCC[C@@H](C(=O)Nc1cc(OC)ccn1)c1ccccc1 187380507 HOWOKNDVXPKGAW-MRXNPFEDSA-N 296.370 3.779 30 20 CHED CCOc1cccc(/C=C/C(=O)c2cncc(C)c2)c1 184774762 MMQKOJLFVMRBOL-BQYQJAHWSA-N 267.328 3.685 30 20 CHED C=CCC1(C(=O)N2CCOC(C)(C)[C@@H]2C)CCCCC1 410574492 LDEKKIPMNHEEJE-AWEZNQCLSA-N 279.424 3.539 30 20 CHED Cc1ccc(-c2csc(NC(=O)C(C)(C)C#N)n2)c(C)c1 77894058 XABVGYZGRIFTFN-UHFFFAOYSA-N 299.399 3.915 30 20 CHED CC#CCCCC(=O)Nc1c(F)cccc1N1CCCC1 185640565 XRABQFNRALVPCL-UHFFFAOYSA-N 288.366 3.558 30 20 CHED N#CCc1cccc(NC2CCC(C(F)F)CC2)c1 449705452 YBBISJSRROZUHM-UHFFFAOYSA-N 264.319 3.988 30 20 CHED C[C@@H](NCCCC#N)c1cccc(Cl)c1Cl 132386506 ATIWIQRAECZCHZ-SECBINFHSA-N 257.164 3.948 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1c(C)[nH]c2ccccc12 188015044 RSZGHACMRCTMCS-SFHVURJKSA-N 284.403 3.737 30 20 CHED Cc1cccc(CC[C@@H](C)NCC2(C#N)CCC2)c1 418135370 ANRRUEAOWDQUKL-OAHLLOKOSA-N 256.393 3.600 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2c(c1)CCCC2 410128423 SDPPIIRAFLAOSA-MRXNPFEDSA-N 257.377 3.650 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(C(F)(F)F)c1 47465428 MGHLFMPUIXIART-UHFFFAOYSA-N 269.266 3.520 30 20 CHED Cc1cc([C@H](C)NCc2ccc(OCC#N)cc2)c(C)o1 44729770 IONSSBBPURBORB-ZDUSSCGKSA-N 284.359 3.650 30 20 CHED O=C1/C(=C/c2csc([N+](=O)[O-])c2)CCc2ccccc21 48578938 RYXAMBISGULLIS-KPKJPENVSA-N 285.324 3.869 30 20 CHED Cc1ccc2ncc(CN(C)CC(C)(C)C#N)cc2c1 411778728 GQAVDJOZJSGMED-UHFFFAOYSA-N 267.376 3.525 30 20 CHED CC1(C)CC[C@@H](Sc2ccc(C#N)cc2F)C1=O 412990635 GMOYEHUGQBUZCO-GFCCVEGCSA-N 263.337 3.547 30 20 CHED C[C@H](C(=O)Oc1ccc(C#N)cc1)c1c(F)cccc1F 133690208 HLZJHSADPZZOIC-JTQLQIEISA-N 287.265 3.546 30 20 CHED N#Cc1cncc(Nc2ccc(NCC3CCCC3)cc2)n1 420583865 LYZCUXUWZUOCLS-UHFFFAOYSA-N 293.374 3.694 30 20 CHED CC[C@@H](C#N)OC(=O)c1sc(-c2ccccc2)nc1C 84698127 OPJUHFMNIQWHSS-LBPRGKRZSA-N 286.356 3.578 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#N)cc1 81175663 MPXOBXLEILBFLB-XJKSGUPXSA-N 270.376 3.599 30 20 CHED C[C@H](NC/C(Cl)=C/Cl)c1ccc(C#N)cc1 85977868 ZIKDWRDZVRDDQV-TXEUWIOXSA-N 255.148 3.528 30 20 CHED C=CCOCCCC(=O)NC(C)(C)c1ccc(CC)cc1 81701624 BSBJMDXBCMBPMD-UHFFFAOYSA-N 289.419 3.583 30 20 CHED C#C[C@@H](NCc1ccc(Br)s1)C(C)(C)C 380105343 MYKWXXRUUNHTOA-SNVBAGLBSA-N 286.238 3.648 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 133313430 JEPWJTALPNBFFA-ZDUSSCGKSA-N 291.822 3.943 30 20 CHED CCc1nc(C)c(C(O)=Nc2c(C)noc2C2CC2)s1 329819601 PCTWEGRFWLYXEC-UHFFFAOYSA-N 291.376 3.824 30 20 CHED COc1cc(C#N)ccc1COc1ccc(C#N)c(Cl)c1 190259653 MSQDWPJLYOKTCO-UHFFFAOYSA-N 298.729 3.671 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccc2c3c(cccc13)CC2 86281604 XQHFPUVHIWBDLW-GFCCVEGCSA-N 293.370 3.704 30 20 CHED Cc1cc(C#N)ccc1OCc1cccc(F)c1F 608886525 SDRBFVLEZJQMKR-UHFFFAOYSA-N 259.255 3.724 30 20 CHED N#Cc1ccc(/C=C2\Cc3c(F)cc(F)cc3C2=O)cc1 131170442 VRKXMVMDUGKDOW-LFYBBSHMSA-N 281.261 3.659 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(CCC#N)CC(C)C)CC1 381060183 NBVIFYNJVLYUDU-SHTZXODSSA-N 264.413 3.601 30 20 CHED C=CCNC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 47606620 NPBAZTWURQBTGG-HNNXBMFYSA-N 294.398 3.692 30 20 CHED CCOc1ccc(N=C(O)N2CCC[C@H]2CC)cc1OC 330532651 TYLCVBPHDLFCPK-CYBMUJFWSA-N 292.379 3.514 30 20 CHED C=CCOc1ccc(OC(=O)c2sc(C)nc2C)cc1 81323638 JUPINNMFXSNVHT-UHFFFAOYSA-N 289.356 3.544 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(F)c(OC)c(F)c1 336303863 NAUDIUMHQCPONX-LLVKDONJSA-N 296.317 3.546 30 20 CHED O=C1/C(=C\c2csnn2)Cc2c1ccc(Cl)c2Cl 96032927 GOOHIFBLZHGSTI-UTCJRWHESA-N 297.166 3.667 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 336245481 FXWKXHIUCRDHPO-DYZYQPBXSA-N 297.358 3.614 30 20 CHED CCCC[C@H](CC)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 330918617 NIIGUJFUULMMJE-OFQRWUPVSA-N 264.413 3.791 30 20 CHED C=CCOCCCN1CC[C@@H]1c1ccc(Cl)cc1 511625090 QHSLCEOWCYPDSU-OAHLLOKOSA-N 265.784 3.680 30 20 CHED CCc1nc(C)c(N/C(O)=N/CC(C)(C)CC)s1 331203239 WMYLBMGUBXSZLY-UHFFFAOYSA-N 269.414 3.776 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 332683750 FQHLRMLHRGFNIJ-SOUVJXGZSA-N 291.439 3.584 30 20 CHED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(C#N)cc1 335871759 PNEANISOLLLRIT-YJYMSZOUSA-N 287.366 3.768 30 20 CHED CC1(C#N)CCC(N[C@H]2CCc3cc(F)ccc32)CC1 336214466 UTLJDZOCVLFLJN-WIHSUSGWSA-N 272.367 3.875 30 20 CHED Cc1ccccc1NC(=O)[C@H](C)c1cccc(C#N)c1 335666726 VRCHARABUWUFNB-CYBMUJFWSA-N 264.328 3.609 30 20 CHED N#CCc1ccc(NC(=O)C2CC3(CCC3)C2)c(Cl)c1 335455202 NZUNOHXEHWNSJU-UHFFFAOYSA-N 288.778 3.925 30 20 CHED C[C@@H](NC(=O)N(C)c1ccc(F)cc1)c1ccc(C#N)cc1 334477818 QRGYXPODVULEER-GFCCVEGCSA-N 297.333 3.604 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)N1CCC(C)(C#N)CC1 336014682 LBPZVMXYJVOLQZ-OAHLLOKOSA-N 299.418 3.700 30 20 CHED Cc1ccc(C(=O)Nc2scc(C)c2C#N)cc1C 344895587 NLNMPQOQIWXGFE-UHFFFAOYSA-N 270.357 3.797 30 20 CHED C=CCCCOc1cc(OC)ccc1Br 432322174 KMPHYOLKYJXRJJ-UHFFFAOYSA-N 271.154 3.803 30 20 CHED CCCCCCCC(=O)N(C)Cc1ccc(C#N)cc1 248270265 PVWAKIPFMTWJLP-UHFFFAOYSA-N 272.392 3.877 30 20 CHED CC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1C#N 601914274 VREKIZABWCIBGW-NXEZZACHSA-N 296.823 3.607 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 247535778 OREARRJUEUIZKP-HNAYVOBHSA-N 292.382 3.520 30 20 CHED C=C(Cl)CN1C[C@H](c2ccccc2C)OC[C@@H]1C 247641844 SZKCLFRKVJXTNN-DZGCQCFKSA-N 265.784 3.509 30 20 CHED C[C@H](CC#N)NCCCSc1ccccc1Cl 602861229 GGAIFARSQGACGY-LLVKDONJSA-N 268.813 3.714 30 20 CHED C[C@@H](NC/C=C\c1ccccc1)c1cccc(C#N)c1 254978009 YWNCCHLHWULXPH-IZIDJEDMSA-N 262.356 3.922 30 20 CHED C=CCCN(C)C(=O)c1ccccc1SCC=C 341950437 NWPHJADWQGCPIB-UHFFFAOYSA-N 261.390 3.613 30 20 CHED CC[C@H](c1ccccc1)N(CC)c1ccc(C#N)cn1 520152990 YNZKGXQSQRJZTQ-MRXNPFEDSA-N 265.360 3.931 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCCOc3cc(Cl)ccc32)C1 349338776 ATIPUEOMVCDWMW-ZLDLUXBVSA-N 290.794 3.836 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2c(F)cccc2Cl)o1 255575592 BDSVJMUMWOLCIL-UHFFFAOYSA-N 298.657 3.531 30 20 CHED CC(C)(C#N)CCCn1cc(-c2cc(F)cc(F)c2)nn1 603260731 PFOUBPNVGUERFG-UHFFFAOYSA-N 290.317 3.553 30 20 CHED CCN(CCc1cccs1)C(=O)c1ccccc1CC#N 600993219 XUENWXBSGZBAMF-UHFFFAOYSA-N 298.411 3.519 30 20 CHED C=CCC[C@@H](NS(=O)(=O)CC(C)(C)C)c1ccccc1 443023326 XKFHGILMNUMQCG-OAHLLOKOSA-N 295.448 3.659 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)NCC(C)(C)CCCc1ccccc1 449862541 ACUJDUAEWKTJNN-BEFAXECRSA-N 298.430 3.701 30 20 CHED C=CC[C@H](C)NC(=O)N(Cc1ccccc1F)CC(C)C 604900803 LWLXBWKJXMMGKT-AWEZNQCLSA-N 292.398 3.958 30 20 CHED COc1ccc(C2CCN(C[C@H](C)CCC#N)CC2)cc1 602466824 DLGNZVFLPNBGJS-OAHLLOKOSA-N 286.419 3.814 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc2[nH]ccc2c1 600118251 UIRXIOTVRLCUDU-UHFFFAOYSA-N 269.392 3.930 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)c2[nH]c(C)c(C)c2c1 442788353 ZUFICBARCMSUAE-GOEBONIOSA-N 281.403 3.875 30 20 CHED N#Cc1cc(F)cc(N[C@H](c2nc[nH]n2)C2CCCCC2)c1 602725213 NHTOZFJKKOFXRI-HNNXBMFYSA-N 299.353 3.549 30 20 CHED C=C(C)[C@@H](CC(=O)NCC(C)(C)C1CCCC1)OCC 535201691 NJMRRLDMSDRAKG-OAHLLOKOSA-N 281.440 3.690 30 20 CHED C=CCC[C@H](NCc1cccc(C#N)c1)c1ccco1 353434600 KADHYNFUPVRNDW-INIZCTEOSA-N 266.344 3.948 30 20 CHED N#CC1(CSCc2cccc3c2CCOC3)CCC1 601056395 RSOXBFNQEJJVKY-UHFFFAOYSA-N 273.401 3.686 30 20 CHED N#Cc1cnc(NCCCNc2ccccc2)c(Cl)c1 358871831 OZTGDKBLEZTNCU-UHFFFAOYSA-N 286.766 3.521 30 20 CHED N#CCn1c(/C=C/C=C\c2ccncc2)nc2ccccc21 352009291 VVRHXWBWGMNFOH-QRYPCPAXSA-N 286.338 3.681 30 20 CHED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)co1 352578204 XQLIQGGHJVCQCS-UHFFFAOYSA-N 296.370 3.758 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)c1c(F)cccc1F 604901021 TVAPKIKYYOGDEF-MNOVXSKESA-N 282.334 3.632 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cccc(-c2cccnc2)c1 449549237 VYYFJDUGVUQUHU-MOPGFXCFSA-N 294.398 3.572 30 20 CHED C=CCNc1ccccc1C(=O)N[C@H](C)c1ccccc1 532302141 ZQMHWQJFBIEPPO-CQSZACIVSA-N 280.371 3.776 30 20 CHED C=CCOCCCSc1ncnc2sc(C)cc12 355936128 JOFFWFJICKWUNC-UHFFFAOYSA-N 280.418 3.685 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C(C)(C)C)C1 442899737 QPDJMGVLOODOLF-CZUORRHYSA-N 256.393 3.987 30 20 CHED N#Cc1ccc(CN[C@H]2CSCc3ccccc32)s1 610511943 YWBLSVAUVUTAPM-HNNXBMFYSA-N 286.425 3.697 30 20 CHED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2ccccc2)c1 357801294 MKZDLSJAPDLSMO-SFHVURJKSA-N 290.366 3.926 30 20 CHED C=CCCC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 264022824 YTWTYUDHNNOYSG-UHFFFAOYSA-N 298.361 3.889 30 20 CHED C#C[C@H](/N=C(\N)Nc1cccc(C(C)C)c1)C(C)(C)C 262248261 BUPCUYHXYXCVQJ-HNNXBMFYSA-N 271.408 3.585 30 20 CHED C=C(C)COc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442888152 FFQMMWMFENSPHO-ZFWWWQNUSA-N 256.349 3.746 30 20 CHED C[C@@H](C1CCC1)N(C)C(=O)C[C@H](CC#N)c1ccccc1 356692289 DKGZDKRNOKWHRV-YOEHRIQHSA-N 284.403 3.721 30 20 CHED CSc1cccc(F)c1C(=O)NCC(C)(C)CCC#N 359763176 IIRJVJFGQMATRG-UHFFFAOYSA-N 294.395 3.607 30 20 CHED CN(CC#Cc1ccc(Cl)cc1)Cc1cccc(O)c1 530700969 RYKJWKGVXREEDQ-UHFFFAOYSA-N 285.774 3.529 30 20 CHED N#Cc1ccc(N2CCC(Cc3ccccc3F)CC2)nc1 531523925 BTWYDKFXUBUNOS-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C=CCC1(NC(=O)CCc2nc3ccccc3[nH]2)CCCC1 619115124 WCZBOFLXESCSAA-UHFFFAOYSA-N 297.402 3.501 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3nc(C)ccc3o2)C1 617783623 CWTCORDCZWXQBZ-CYBMUJFWSA-N 284.359 3.565 30 20 CHED Cc1cc(C)cc(OCCCN2CCC[C@@](C)(C#N)C2)c1 612164649 DHYQUSKVIYFROI-SFHVURJKSA-N 286.419 3.698 30 20 CHED N#CC1(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CC1 611430612 NEVCDNANGQBQHZ-OAHLLOKOSA-N 279.387 3.651 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(C)c1 539507969 QZXXVTCMONLUBL-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCSc1ccccc1C(=O)N(CC)CC1CC1 362422776 YRKZXXBGCIIHJW-UHFFFAOYSA-N 275.417 3.837 30 20 CHED CC[C@H](CNCc1cccc(C#N)c1)Oc1cccc(C)c1 531206207 RJDQGYOTXMCCAA-GOSISDBHSA-N 294.398 3.814 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccccc21 618803371 VVUIBBNVPMADKG-OALUTQOASA-N 274.367 3.823 30 20 CHED CC(C)C(CNC(=O)Nc1cccc(CC#N)c1)C(C)C 455913816 ZSSBIUQBUHSGDG-UHFFFAOYSA-N 287.407 3.802 30 20 CHED CC(C)Oc1ccc(CNCC(C)(C)CC#N)cc1 459697424 PRPBFUGLPNGKJB-UHFFFAOYSA-N 260.381 3.503 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 614396541 NJTZILPUOLDRNR-YESZJQIVSA-N 271.404 3.878 30 20 CHED Cc1[nH]c2ccc(-c3noc(C(C)(C)C#N)n3)cc2c1C 273676732 BDDJQYNUUXKKOD-UHFFFAOYSA-N 280.331 3.636 30 20 CHED C=CCCCc1nc(-c2ccccc2NC(=O)C2CC2)no1 273657848 ABLKYWNLTDGVKG-UHFFFAOYSA-N 297.358 3.594 30 20 CHED C=C(CC)CNC(=O)N(C)Cc1cccc2ccccc12 455519491 IFTXITAAYUEEOA-UHFFFAOYSA-N 282.387 3.947 30 20 CHED CCCCOCCN[C@H]1CCCCc2cc(C#N)ccc21 360837863 RYRVDNPPCLLRAV-SFHVURJKSA-N 286.419 3.732 30 20 CHED C=CC(C)(C)CNC(=O)Cc1ccc(C)cc1Cl 452776251 QSWBWOMBKJNZCC-UHFFFAOYSA-N 265.784 3.519 30 20 CHED C[C@@H]1SCCN(CC2(C#N)CCC2)[C@H]1c1ccccc1 450415045 AIPODOSCHPZABQ-GOEBONIOSA-N 286.444 3.859 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(C)(F)F 454441987 JZCLNWUCIMSJNG-SNVBAGLBSA-N 295.333 3.653 30 20 CHED C=CCn1c(C)nnc1SCC1CCCCCC1 542763813 LLMTYXTXNSTMPA-UHFFFAOYSA-N 265.426 3.835 30 20 CHED C=C(C)CCNC(=O)Nc1cc(F)c(OC(C)C)c(F)c1 455122234 BMTBEQWMSHVVDZ-UHFFFAOYSA-N 298.333 3.840 30 20 CHED Cc1cccnc1[C@@H](NCc1ccc(CC#N)cc1)C(C)C 543140283 SMFJICYOFKCINO-SFHVURJKSA-N 293.414 3.943 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)Cc2ccoc2)cc1C#N 452681237 LMNDEWOORKAXII-UHFFFAOYSA-N 298.342 3.510 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(F)cc1OC(C)C 276015981 BOWKNUMEVWFYEC-UHFFFAOYSA-N 280.343 3.653 30 20 CHED C=CCCC(C)(C)NC(=O)CCCc1ccccc1 620861135 CGFGJJAKNOTQJE-UHFFFAOYSA-N 259.393 3.870 30 20 CHED C=CCN(C(=O)N[C@H](c1ccccc1)C(C)C)C1CC1 540059142 UWTIAIGILBAJCY-INIZCTEOSA-N 272.392 3.744 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 456862415 XTAXLSVVSFRODK-QGZVFWFLSA-N 287.378 3.991 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(Cl)c1 453343642 JEDPCZFOSIUVOT-GLQYFDAESA-N 265.784 3.724 30 20 CHED CO[C@@H]1CCCC[C@H]1NCc1ccccc1C(C)(C)C#N 275182934 DOQUQXUYNFDGPI-IAGOWNOFSA-N 286.419 3.535 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 455328478 RLGIDLHLTQKXFQ-MRXNPFEDSA-N 286.419 3.788 30 20 CHED CCCC1CCC(N(C)C(=O)c2cc(C#N)[nH]c2C)CC1 451153332 GVKYKXFFILPDCV-UHFFFAOYSA-N 287.407 3.626 30 20 CHED CCS[C@@H]1CCCCN(Cc2ccc(CC#N)cc2)C1 542279265 SDXNKDDMAJFEFU-QGZVFWFLSA-N 288.460 3.860 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CCO[C@H](C)C1)c1ccccc1 271840284 AYDIFDBWXDGEAD-OIISXLGYSA-N 287.403 3.625 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 278918880 RRUMPLZFQQYQGO-UHFFFAOYSA-N 296.374 3.709 30 20 CHED CC[C@@H](NC1CCN(CC(C)C)CC1)c1ccc(C#N)cc1 278173399 CPYHQSJSWKFNKR-LJQANCHMSA-N 299.462 3.719 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1N(C)CCC 627105243 CUXRTJASVCBHRB-UHFFFAOYSA-N 275.396 3.621 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccc(C)cc1O 280803920 LCWYMSDLSMPKHE-KYJSFNMBSA-N 289.419 3.723 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1C 461743084 QLFXFVCMKKBIMV-AWEZNQCLSA-N 278.355 3.917 30 20 CHED Cc1cc(N2CCC[C@H]2/C=C/c2ccccc2)cc(C#N)n1 553185552 ZKMHOHRMTQITNY-BBVFFXRHSA-N 289.382 3.944 30 20 CHED C=CCCCC(=O)NCc1c(F)cccc1SC 285798014 DOEKVAKZLGBNSL-UHFFFAOYSA-N 267.369 3.520 30 20 CHED C=CCN(C(=O)Cc1cccc(Cl)c1Cl)C1CC1 469328729 MBXGQDNEFNFGAN-UHFFFAOYSA-N 284.186 3.713 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc2c1OC(C)(C)C2 559699375 JYURGARRUGHZTG-CYBMUJFWSA-N 288.391 3.876 30 20 CHED C[C@H]1CC[C@@H](C)N1CC#Cc1ccc(C(F)(F)F)cc1 466693974 XNGXWPKHWYPZQQ-BETUJISGSA-N 281.321 3.930 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC2(CCC2)c2ccccc21 466391285 YFZBWDHVLYKNQA-CQSZACIVSA-N 284.403 3.993 30 20 CHED C=CC[C@H](CC)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 467415260 YHMHMRYUFYBEJY-LWYYNNOASA-N 298.474 3.841 30 20 CHED CCC[C@@H](C)CC(=O)N[C@](C)(C#N)C1CCCCC1 559594421 BQZAACJFGXGBPN-CZUORRHYSA-N 264.413 3.791 30 20 CHED CC[C@@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 465649888 BWZPWLDQGUIPFJ-KDOFPFPSSA-N 299.418 3.841 30 20 CHED CC1(C)CC[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 286854012 BRSUJMOMRQREOV-LSDHHAIUSA-N 285.391 3.519 30 20 CHED C[C@@H]1[C@@H](NCCc2cccc(C#N)c2)C[C@@H]1c1ccccc1 467445615 LJFAMPFXGBMRQM-YSSFQJQWSA-N 290.410 3.883 30 20 CHED CC#CCSCc1nc(-c2ccc(CC)cc2)no1 464081546 KSSUQSFRJIHZTH-UHFFFAOYSA-N 272.373 3.556 30 20 CHED C=C(CC)CN[C@H](c1ccc(F)cc1)c1ccccn1 552971949 YISMGHPRAYAWSQ-QGZVFWFLSA-N 270.351 3.866 30 20 CHED C=CCCCC(=O)N1CCCn2c(cc3ccccc32)C1 288560326 JACACXVGDMPFBX-UHFFFAOYSA-N 282.387 3.730 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 467050920 LNLOYDBDFHSNFY-GFCCVEGCSA-N 299.336 3.919 30 20 CHED C=CCC(C)(C)c1noc([C@H]2COc3ccccc3C2)n1 556365499 XOOJLOLWIZHLBH-CYBMUJFWSA-N 284.359 3.642 30 20 CHED C=CCC(C)(C)c1noc(C2Cc3ccccc3C2)n1 551108423 AIRAEHKGCNYHSC-UHFFFAOYSA-N 268.360 3.806 30 20 CHED C=CCC[C@H](NC(=O)C[C@@H]1CCC(=O)[C@@H]1C)c1ccccc1 281104146 GZAHSSDAPWXHJZ-PVAVHDDUSA-N 299.414 3.815 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H](C2CC2)C1)c1ccccc1 288459213 VUEJBHFWDMSWOD-ROUUACIJSA-N 296.414 3.583 30 20 CHED Cc1nsc(N[C@@H]2CCc3cc(F)ccc32)c1C#N 286419816 PFKKSUNSRIYCJC-CYBMUJFWSA-N 273.336 3.562 30 20 CHED C[C@H]1CCC[C@@H](C)N(Cc2cc(F)ccc2C#N)C1 469098251 XAAZAOVIUCMFDV-QWHCGFSZSA-N 260.356 3.708 30 20 CHED C=CCC[C@@H](Nc1ccc(CCO)cc1)c1ccco1 286051948 KFFYPGLEUWBEDT-MRXNPFEDSA-N 271.360 3.934 30 20 CHED Clc1ccc(C#CCN2CCC[C@@H]2c2cccnc2)cc1 553889753 BRKHMRIGNUCRHC-GOSISDBHSA-N 296.801 3.924 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(CC#N)cc1 283683297 SSYYIBVHRITMMT-AWEZNQCLSA-N 284.403 3.793 30 20 CHED Cc1nsc(N2C[C@@H](c3ccccc3)C[C@H]2C)c1C#N 553103164 CDERQIPXKSOXQQ-RISCZKNCSA-N 283.400 3.706 30 20 CHED C=CCn1c(C(C)C)nnc1N(CC)C1CCCCC1 554921916 KJDVGRCYTWGDDP-UHFFFAOYSA-N 276.428 3.747 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1cccc(N2CCCC2)c1 298739061 BVEDWIAXNXICAC-LSDHHAIUSA-N 271.408 3.630 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)Nc1cccc(C#N)c1 292765524 STKJEBBESJRHLU-UHFFFAOYSA-N 293.370 3.891 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1cccc(Cl)c1Cl 291622966 FPGONUMGFQUPJN-SECBINFHSA-N 285.174 3.864 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(C)n[nH]c2C)c(C)c1 298628608 DHHUJVQLPLTLMM-BQYQJAHWSA-N 254.333 3.539 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 294377515 HDZRNOCYPFVMCD-SFHVURJKSA-N 298.386 3.886 30 20 CHED C=CCOCCCN1CCS[C@H](C)[C@H]1c1ccccc1 470762009 NWVDKTSMTUCZRF-WBVHZDCISA-N 291.460 3.758 30 20 CHED C=CCCCCNC(=O)[C@H](C)SCc1ccccc1 471674995 ZDEIMZGFUZWNDT-AWEZNQCLSA-N 277.433 3.781 30 20 CHED Cc1cc(F)c2c(c1)CCCN2C(=O)CCCCCC#N 808277491 NAHMIQWZPVZLQE-UHFFFAOYSA-N 288.366 3.887 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 641992716 UMCUAUWTNXKABG-PBHICJAKSA-N 287.403 3.902 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc2c(OC)ccnc12 565358601 KLIPVBZFPAULGL-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C#C[C@@H](CC)NCc1cccc(OC2CCCC2)c1 809686576 ZPGNASIXEXNCKR-HNNXBMFYSA-N 257.377 3.509 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(CC#N)cc2)[C@H]2CCC[C@@H]21 296486208 XTNIPXUZCDDELN-HOTGVXAUSA-N 297.402 3.795 30 20 CHED Cc1ccc(F)c(C=NNc2nccnc2C2CCC2)c1 807991243 JWDHLPAXJGKLHG-UHFFFAOYSA-N 284.338 3.638 30 20 CHED C=C(C)CSc1nc(C(F)(F)F)ccc1C(=O)OC 478724034 POZZDZPYKFXZRQ-UHFFFAOYSA-N 291.294 3.555 30 20 CHED COc1cc2ccncc2cc1OC(=O)CCCCCC#N 805911165 IEJWAFVYAYLXRQ-UHFFFAOYSA-N 298.342 3.623 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@H]1CSC 806004424 IXBAVVGCQMJPBU-CQSZACIVSA-N 284.469 3.660 30 20 CHED C=CCCCCNC(=O)Nc1cscc1Cl 640779069 XOJVOHIBZZMQBN-UHFFFAOYSA-N 258.774 3.879 30 20 CHED CCCC[C@H](SCc1ccc(CC#N)cc1)C(=O)OC 475886592 ROXBJGBIMFDPHJ-HNNXBMFYSA-N 291.416 3.718 30 20 CHED Cc1noc(C)c1/C=C1/C(=O)c2ccccc2[C@@H]1C 809156251 JYTVWUADBSYVSI-PFMRQGHBSA-N 253.301 3.675 30 20 CHED CCCCCCCC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 818440099 SMDJJCCQSIDKOA-CAOSSQGBSA-N 263.425 3.851 30 20 CHED CC[C@@H]1CCC[C@@H](C=NN[C@H](C)c2ccncc2)C1 819816664 MNAGKINKDVPVQS-RBSFLKMASA-N 259.397 3.934 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCC[C@@H](F)C1 565002568 FCPHIHUUAHWWJQ-CHWSQXEVSA-N 293.407 3.975 30 20 CHED C[C@@H]1/C(=C\c2cn(C)nc2C(F)F)C(=O)c2ccccc21 812242333 PGFROFMCQKXZAJ-PBJWJZLWSA-N 288.297 3.741 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)C(C)(F)F)n1 815970808 KJACDAYTDMBOBU-IUCAKERBSA-N 286.347 3.734 30 20 CHED C=CCc1cccc(F)c1OC(=O)OC(C)(C)C 819886261 RCCAYYHZBOZFGS-UHFFFAOYSA-N 252.285 3.868 30 20 CHED Fc1ccc2c(c1)OCC2=NNc1ccc(Cl)cc1 814683475 BLUJWSGTNGMMLE-UHFFFAOYSA-N 276.698 3.688 30 20 CHED Fc1ccc(-c2nc(C=NOCC3CC3)cs2)cc1 814243602 FOSXDYVCTNDSLI-UHFFFAOYSA-N 276.336 3.710 30 20 CHED C=CCN(CC=C)[C@H](CN[C@H](C)c1ccco1)C(C)C 480757143 KVHBOVGMJNEOMX-HZPDHXFCSA-N 276.424 3.629 30 20 CHED C[C@H](Cc1ccsc1)Nc1ncc2c(c1C#N)CCC2 572477444 WSWIHTKGYSOYRP-LLVKDONJSA-N 283.400 3.547 30 20 CHED O=C(O)c1cc(NN=C2CC[C@H]2C2CC2)ccc1Cl 814688548 BXKOGVLHDRRTIZ-JTQLQIEISA-N 278.739 3.626 30 20 CHED C#CC[C@@H](NC(=O)CCc1ccc(C)s1)c1ccccc1 810750860 PTZWDKHEGRWIDT-QGZVFWFLSA-N 297.423 3.870 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc2occ(C)c2c1 810686978 FMFIDXMBSWPNMA-UHFFFAOYSA-N 289.334 3.904 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(C)c(C)c1O 811671661 JFOPYWFZWVLVJY-PVSDPCLQSA-N 253.729 3.502 30 20 CHED C=CCC1(CNC(=O)CCCc2ccccn2)CCCC1 654082114 IAGONGKYLBJRHU-UHFFFAOYSA-N 286.419 3.657 30 20 CHED C=C1CCN(CCOc2ccc(Cl)c(F)c2)CC1 483943965 LMFJNEHPSJDFPI-UHFFFAOYSA-N 269.747 3.510 30 20 CHED CCc1ccccc1NN=C1CC[C@H](CC(=O)O)[C@H]1C 814802266 ZCIGCTIAHMHWDS-DGCLKSJQSA-N 274.364 3.538 30 20 CHED CC[C@@H](C)[C@H](C)NCc1ccc(Cl)cc1C#N 480901085 RTIXTCXEXNZJMM-MNOVXSKESA-N 250.773 3.736 30 20 CHED CC#CCCNC(=O)c1ccccc1Oc1ccccc1 498610204 LDCQFFRLMSQMHG-UHFFFAOYSA-N 279.339 3.622 30 20 CHED C=CCCC(=O)Nc1ccc(-c2coc(C)n2)cc1 726501109 DGQGFNIKSWRFOC-UHFFFAOYSA-N 256.305 3.555 30 20 CHED N#CC1(CN[C@@H]2CCC[C@H]2c2ccccc2Cl)CC1 576894261 NEEGOBXTWXVCBR-DZGCQCFKSA-N 274.795 3.869 30 20 CHED CCc1c(C)sc(NC(=O)/C=C/c2cccnc2)c1C#N 727790802 SOMVTIULIVWUEN-VOTSOKGWSA-N 297.383 3.538 30 20 CHED CCc1ccc(NCc2cccc(O[C@@H](C#N)CC)c2)nc1 1347990448 OCZPKTPMXQAOIM-MRXNPFEDSA-N 295.386 3.937 30 20 CHED C=CC[C@@H]1N(Cc2cc(C)nc(C)n2)CCCC1(C)C 660423758 VWFPNKPXAOZWPF-INIZCTEOSA-N 273.424 3.660 30 20 CHED C=CCCOC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 729072763 YMSAAJWFKVJCKH-OLZOCXBDSA-N 295.176 3.672 30 20 CHED C=CCCC(=O)OCc1ccc(OC(F)(F)F)cc1 726651930 HXEUOSTUPSPZEB-UHFFFAOYSA-N 274.238 3.595 30 20 CHED CCCCCCCOC(=O)c1cc2c(s1)CCOC2 728643638 DHYJMJYANMALHC-UHFFFAOYSA-N 282.405 3.948 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(C2OCCO2)cc1 823851604 RAMVLLGOLCTFDS-HNNXBMFYSA-N 289.419 3.957 30 20 CHED COc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)ccc1C 588598928 CMXWTJMTQTYBGU-HJWRWDBZSA-N 297.310 3.808 30 20 CHED C=CCCCCNC(=O)CCCC(=O)c1ccccc1 907445274 ASOUBNPOZVIZSE-UHFFFAOYSA-N 273.376 3.512 30 20 CHED Cc1cccc(-c2cccc(C(=O)NCC3(C#N)CC3)c2)c1 907937847 DIRDIROFIWRRNP-UHFFFAOYSA-N 290.366 3.696 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1cccc(C#N)c1 497653533 XAAMDUXLDILEJK-RHSMWYFYSA-N 299.418 3.574 30 20 CHED CC[C@H](C)n1ncc(N[C@@H]2CC[C@@H](C#N)C2)c1C1CC1 582339643 SHXNSZHMBXYBQM-OUCADQQQSA-N 272.396 3.836 30 20 CHED Cc1ccc(C(=O)N(O)Cc2cccc3ccccc23)n1C 901370734 NDMCGVIPLGOSOR-UHFFFAOYSA-N 294.354 3.518 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)N[C@@H](C#N)C(C)C 904525652 ZXPAWIPNVOENBV-SFHVURJKSA-N 292.382 3.940 30 20 CHED CCc1ccc(C=NNc2ccc(C#N)cc2)s1 731151916 RUGLFZJRKUJOFO-UHFFFAOYSA-N 255.346 3.628 30 20 CHED C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1C 499827928 HQNZATZMSWOSAZ-UWVGGRQHSA-N 268.282 3.669 30 20 CHED C#CCN(C(=O)NC1CCC(F)(F)CC1)C1CCCCC1 490871589 BKSMEMLQTQKXSI-UHFFFAOYSA-N 298.377 3.542 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc3c(c1)CCO3)C2 730948285 BIDRIMLXTNVIJI-YBEGLDIGSA-N 276.335 3.752 30 20 CHED N#CCC[C@H](NC(=O)CCCC1CC1)c1ccccc1 589707964 FPPWDZMZTPPOGA-INIZCTEOSA-N 270.376 3.728 30 20 CHED CC(C)n1cncc1/C=C1\Cc2c(F)ccc(F)c2C1=O 901487081 ZQISFIHYAQSSDU-BJMVGYQFSA-N 288.297 3.565 30 20 CHED C=CCCCCCN(C)C(=O)C(C)(C)CSC 499855030 KLJCDEDTTGIZHF-UHFFFAOYSA-N 257.443 3.580 30 20 CHED CCCCCC(C)(C)CNC(=O)N(C)CC(C)(C)C#N 838516077 VMEFFTKVTIHRJE-UHFFFAOYSA-N 281.444 3.784 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1OC 733805891 PZKPUDQRILEPRB-VURMDHGXSA-N 286.327 3.891 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)c1 732754081 ZNWDLEGLCNRJDG-CQSZACIVSA-N 291.350 3.516 30 20 CHED C=CCC1(C(=O)Nc2ccc3[nH]c(=O)c(C)cc3c2)CCC1 908456721 GNWZUSSQBWOVJR-UHFFFAOYSA-N 296.370 3.521 30 20 CHED Cc1ccc(C2=CCN(c3cccc(C#N)n3)CC2)cc1 736284503 YZKRBDWCFKVFJO-UHFFFAOYSA-N 275.355 3.555 30 20 CHED CC(C)CC1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCC1 839053699 KDMRYPHYUCJYPL-KBPBESRZSA-N 263.381 3.828 30 20 CHED CCc1nocc1/C=C\C(=O)c1cc(C)ccc1C 834407749 DKLRVXHGJWZZRC-FPLPWBNLSA-N 255.317 3.750 30 20 CHED CC(C)(C)c1ncsc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839449067 LDLBULNAEMJCAV-MNOVXSKESA-N 292.404 3.680 30 20 CHED C=CCN(C)C(=O)/C(C)=C\c1ccc(OC(F)(F)F)cc1 837548467 MGTBTTYGYWNTMR-KHPPLWFESA-N 299.292 3.633 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(CC)CC 672218106 CQARDYOGBBMPRX-UHFFFAOYSA-N 293.407 3.503 30 20 CHED C=CCN(C(=O)c1ccc(CN(CC)CC)cc1)C(C)C 915155615 ZKPXGOGENDJYOR-UHFFFAOYSA-N 288.435 3.565 30 20 CHED C=CCN(Cc1cnc2ccc(C)cc2c1)C(C)C 839466584 DDIUDMZMJDCRKO-UHFFFAOYSA-N 254.377 3.940 30 20 CHED C#CC1CCN(C(=O)Nc2cccc(C3CCC3)c2)CC1 831823302 WIGOSZQLFDGFHG-UHFFFAOYSA-N 282.387 3.831 30 20 CHED Cc1cc([C@@H](C)NCCc2ccc(C#N)cc2)oc1C 595056000 OLKBXYRHIJITGJ-CYBMUJFWSA-N 268.360 3.661 30 20 CHED CCCC(=NOCc1cccnc1)c1ccccc1 746585316 BAWYGKGKOYCRCU-UHFFFAOYSA-N 254.333 3.803 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(C(C)(C)C)cc1)C1CC1 598121069 CGHJMDVAXAKCPJ-LBPRGKRZSA-N 270.376 3.501 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2ncccc2F)CCCC1 835377620 FETIDSVHQKPULL-GFCCVEGCSA-N 277.339 3.961 30 20 CHED C[C@]1(Cc2ccccc2F)CCCN1c1ncccc1C#N 591973376 XRPQQRBQOPERPQ-GOSISDBHSA-N 295.361 3.694 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc(F)c(F)c1)O2 915988938 ORGGGYHQPKCWBI-MKMNVTDBSA-N 288.249 3.595 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCCCCC(C)C 747908028 UXOUQMSZUCPLIN-CQSZACIVSA-N 252.402 3.601 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC[C@H]3C[C@H]32)c1 672655275 GSXOOCKYUGOGEH-XJKSGUPXSA-N 286.375 3.658 30 20 CHED CC1(C)CC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 597462258 KJVRUOLPBJYUML-CYBMUJFWSA-N 262.397 3.545 30 20 CHED C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CC1(C#N)CC1 595520123 YBOQKAZZUVSLMY-SNVBAGLBSA-N 288.782 3.513 30 20 CHED Oc1ccc(Br)cc1/C=N/CC1CCCC1 914701973 UMPQOEJKPOZTPS-OQLLNIDSSA-N 282.181 3.764 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cc(C)on2)c(C)c1 849247835 HDFIKUBXBXVERB-SOFGYWHQSA-N 285.343 3.976 30 20 CHED C=CCCOCC(=O)N[C@H](C)c1cc2ccccc2s1 593114112 HZHQWFVBUDUQLQ-GFCCVEGCSA-N 289.400 3.671 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@H]2C[C@H]2C1 596511047 OJWTZXLNKCABRB-MNOVXSKESA-N 283.762 3.606 30 20 CHED CCCCCC[C@H](C)NN=Cc1csc(C)n1 743449965 DHJACYLMLSPVBC-NSHDSACASA-N 253.415 3.734 30 20 CHED Cc1nc2c(s1)[C@H](NCCc1ccc(C#N)cc1)CCC2 595058241 ZZWXLAIHNKANHE-OAHLLOKOSA-N 297.427 3.533 30 20 CHED C[C@H](CCC#N)N1CCC(OCC2CCCCC2)CC1 591015081 LGRAJNQQPXUIAX-OAHLLOKOSA-N 278.440 3.740 30 20 CHED C=CCOc1ccc(OC(=O)[C@H](C)C(C)(C)C)cc1 742859937 DYDNEFSKLFBCML-LBPRGKRZSA-N 262.349 3.839 30 20 CHED C=CCN(Cc1nc(-c2ccc(CC)cc2)no1)C(C)C 917070925 JPZBZJMDHQIHDK-UHFFFAOYSA-N 285.391 3.695 30 20 CHED CCON=Cc1sc(Oc2ccccc2)nc1Cl 915958140 OOKHAWVNEIXICU-UHFFFAOYSA-N 282.752 3.959 30 20 CHED C=C(C)[C@@H](CC(=O)OC1(C2CCCC2)CC1)OCC 848017853 JQKOFBMHWPYHSM-CQSZACIVSA-N 266.381 3.624 30 20 CHED O=[N+]([O-])c1ccccc1NN=C/C=C\c1ccc(F)cc1 747737070 UGLXYFVCCMRMOD-SDGJVLBASA-N 285.278 3.845 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 746577175 SBPVELDKMIWYRQ-SNVBAGLBSA-N 272.270 3.530 30 20 CHED COCCc1cccc(-c2ccc([C@H](C#N)OC)cc2)c1 844231668 UKLOBKFSDRYQDX-SFHVURJKSA-N 281.355 3.754 30 20 CHED N#CC1(CC(=O)OC[C@H]2Cc3ccccc32)CCCCC1 849906548 CNYYHNYNWBWWHK-OAHLLOKOSA-N 283.371 3.734 30 20 CHED C#CCNc1ccccc1C(=O)Nc1cccc(Cl)c1 746784439 XLUQJLAURRVFJD-UHFFFAOYSA-N 284.746 3.637 30 20 CHED Cc1cc(/C=C2\Oc3ccccc3C2=O)cc(C)c1O 742436313 JRUQFVILRCRADJ-DHDCSXOGSA-N 266.296 3.625 30 20 CHED C=CCOc1ccc(OC(=O)C=C2CCCC2)cc1 742864329 NWHVBCKVYQAPLG-UHFFFAOYSA-N 258.317 3.657 30 20 CHED N#CC1(CSCc2ccnc(Cl)c2)CCC1 842193698 YZRCWBKLIVGQRF-UHFFFAOYSA-N 252.770 3.662 30 20 CHED C[C@H]1Cc2cc(NCc3cc(C#N)cs3)ccc2O1 922907213 DTHDDDLAHCVNTM-JTQLQIEISA-N 270.357 3.555 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C/c1cccc(O)c1O 749929701 DGWBBURMCLXUFS-HKVGSQCBSA-N 279.405 3.581 30 20 CHED CC(=O)O[C@@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 849892834 VSQZLQMBTHECIQ-MRVPVSSYSA-N 289.278 3.578 30 20 CHED Cn1c(Cl)cnc1/C=C/C(=O)c1ccc(F)c(Cl)c1 752884197 CPBQHLWNERAGNO-SNAWJCMRSA-N 299.132 3.762 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1OC(F)F 929674922 WVULECJNFMUGSB-SNVBAGLBSA-N 269.291 3.829 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1cnc(C(C)=O)s1 851143913 OLWYTOCNGREUGS-RYUDHWBXSA-N 293.388 3.637 30 20 CHED CCOc1ccc(C=Nc2cccc(C(C)=O)c2)c(O)c1 920942459 DRBRKYNAECGMKG-UHFFFAOYSA-N 283.327 3.744 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 754389766 JXPPAHBIOQDJID-GXFFZTMASA-N 298.213 3.700 30 20 CHED CC(C)(C)CC=Nn1c(S)nnc1-c1ccc(F)cc1 755617800 AQBUXBFAZIYBLR-UHFFFAOYSA-N 292.383 3.643 30 20 CHED C#CCCCC(=O)Nc1cccc(C#Cc2cccs2)c1 757806387 QCDSRUYVPZFICJ-UHFFFAOYSA-N 293.391 3.890 30 20 CHED C=CCC1(NC[C@@H](O)c2ccc(F)cc2)CCCCC1 859747278 QJGPRSSRNAHMRA-MRXNPFEDSA-N 277.383 3.728 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccc2[nH]ccc12 755625451 PYISVRNYJBNUAW-UHFFFAOYSA-N 288.354 3.962 30 20 CHED C=C[C@H](OC(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccccc1 851452963 ZGLSGEJGUPMBNU-KBMXLJTQSA-N 274.360 3.805 30 20 CHED Cc1ccccc1/C=C1\COc2c(F)cc(F)cc2C1=O 920066235 NHKMXDJPUCOMGS-WUXMJOGZSA-N 286.277 3.932 30 20 CHED CC(=O)Nc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1 921264818 ZMCQKANUCSRTCC-YBEGLDIGSA-N 291.350 3.776 30 20 CHED C#CC(=O)Nc1cccc(CSC2CCCCC2)c1 754041814 RYNGYBBYKBBDDD-UHFFFAOYSA-N 273.401 3.824 30 20 CHED C(=Nn1cnc2ccccc21)[C@H]1CCc2ccccc21 755612548 NERLXUJNXKHSAT-CQSZACIVSA-N 261.328 3.600 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1CC1(Cl)Cl)c1ccccc1 758303384 QZTASPXDVCGJTQ-DGCLKSJQSA-N 298.213 3.656 30 20 CHED C(=NOCc1ccccc1)c1cnc([C@H]2CCCO2)s1 755633627 XIXZZMDVZJKSQS-CQSZACIVSA-N 288.372 3.545 30 20 CHED Clc1cccc(C=NO[C@H]2CCCCO2)c1Cl 755817403 ZSERAFFZHXXDRE-NSHDSACASA-N 274.147 3.871 30 20 CHED C[C@@H]1Cc2ccccc2CN1C(=O)Nc1sccc1C#N 931844033 ZRECTDJYADPOTF-LLVKDONJSA-N 297.383 3.598 30 20 CHED Cc1cc(C(=O)/C=C/c2nc(Cl)cs2)ccc1O 759086154 ZZJUPDUREUHJLF-SNAWJCMRSA-N 279.748 3.707 30 20 CHED N#C[C@H]1CCCN(Cc2nc(C3CCCCC3)cs2)C1 932148549 PRWRXPACZVZNDI-CYBMUJFWSA-N 289.448 3.926 30 20 CHED C=C(C)C[C@@H](NCc1csc(Cl)c1Cl)C(=O)O 864529439 IUIUVLDTTBCFSZ-MRVPVSSYSA-N 294.203 3.564 30 20 CHED Clc1ccc2c(c1)C(=NNc1ccc(Cl)nn1)CC2 762439552 UYBZASIEDZBUOJ-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(OCC2CCCCC2)cc1 767232918 RQZPYOOGRBVNDI-HNNXBMFYSA-N 299.414 3.739 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2cc3ccccc3o2)c1 768374694 IGUUNDJKBLOSFP-UHFFFAOYSA-N 296.717 3.799 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccsc1C(F)F 935798296 DTGQVVDBFWTLGY-QMMMGPOBSA-N 259.321 3.770 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(Cl)c(OC)c1 860200647 XPFWRQWXROLEHL-UHFFFAOYSA-N 295.766 3.722 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C/c2cccc(O)c2)CCCC1(C)C 769644119 RSASWXAOGKOSSX-DVQDXYAYSA-N 299.414 3.999 30 20 CHED C[C@](C#N)(NC(=O)C(F)=C1CCCC1)C1CCCCC1 763046478 BKGNYQAONBKVRV-MRXNPFEDSA-N 278.371 3.763 30 20 CHED Cc1cc(C=NNc2c(F)cccc2F)cnc1Cl 760259620 VSKVEJQLDWJURX-UHFFFAOYSA-N 281.693 3.768 30 20 CHED N#Cc1ccc(F)c(CNc2cccc(Cl)c2C#N)c1 864009273 IXUGDUNEVWRNBO-UHFFFAOYSA-N 285.709 3.835 30 20 CHED Fc1ccc(CC=NNc2ncncc2Cl)c(Cl)c1 766477432 HGZFRRLBSIRMPF-UHFFFAOYSA-N 299.136 3.563 30 20 CHED C#CC[C@H](NC(=O)[C@@H](F)c1ccccc1)c1ccccc1 769452906 CILZKJWKVYTUHG-IRXDYDNUSA-N 281.330 3.578 30 20 CHED COc1ccsc1/C=C\C(=O)c1cccc(F)c1 764432423 AQNARTSJZQHBFK-WAYWQWQTSA-N 262.305 3.792 30 20 CHED CCCCCCC[C@H](C)NC[C@@](C)(O)c1ccco1 768517609 NSYVAZDXDJCVIA-GOEBONIOSA-N 267.413 3.826 30 20 CHED CCC(CSc1ccc(Cl)cc1)=NNC[C@@H](C)C#N 771111602 ITDJGNCGKHJWGZ-NSHDSACASA-N 295.839 3.947 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 772800992 DJJCWYLRUBRXRR-VMPITWQZSA-N 296.257 3.502 30 20 CHED CCCCN(Cc1ccccc1O)C[C@H](C)CCC#N 877503167 DDWAXTGASDNUTB-OAHLLOKOSA-N 274.408 3.934 30 20 CHED COC(=O)c1ccccc1NN=C[C@@H]1CCC[C@@H](C)C1 776187485 PXWKJZPEYPPUAT-CHWSQXEVSA-N 274.364 3.697 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)CCc2ccc([N+](=O)[O-])cc21 773147985 CPZIXSPIFYCZPA-UKTHLTGXSA-N 297.285 3.946 30 20 CHED Cn1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)n1 773155702 XMVPBFQYNGELAW-ONEGZZNKSA-N 286.718 3.716 30 20 CHED CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNc1ccccc1 773179808 HZJRUHAPSCRZBU-CYBMUJFWSA-N 289.379 3.532 30 20 CHED N#Cc1ccccc1/C=C\C(=O)O[C@H](C#N)C1CCCCC1 776370173 CRMHXSFYPIUMBR-QXPKXGMISA-N 294.354 3.587 30 20 CHED CC(C)OCCNN=Cc1ccc(-c2ccccc2)cc1 778554426 QGTBLWQELJXVSR-UHFFFAOYSA-N 282.387 3.702 30 20 CHED CC(C)COC(=O)CSc1ccc(C#N)cc1Cl 776284734 CJOVGGFUJTXHRF-UHFFFAOYSA-N 283.780 3.503 30 20 CHED C#C[C@H](C)NC(=O)C1(c2ccc(C(C)C)cc2)CCCC1 772974263 ANVSRWYNQRLGMO-HNNXBMFYSA-N 283.415 3.760 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H]1CC[C@H](SCC)C1 779968616 WCHLJBRVQILJEV-CABCVRRESA-N 281.465 3.703 30 20 CHED O=C(O)c1ccc(NN=Cc2cscc2Cl)cc1 771864148 NXMJSJTZIYJZDR-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)Cc1ccccc1CC#N 776963677 DMGJSUTWJYXDPL-QAPCUYQASA-N 298.430 3.722 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 776390015 SLONUNNYACZZBN-NEPJUHHUSA-N 293.313 3.551 30 20 CHED Cc1nc2cc(Nc3nnc(C)c(C)c3C#N)ccc2s1 781396877 TVVAOKPNMGUZOD-UHFFFAOYSA-N 295.371 3.627 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1nccs1 783879923 BXJFCPLHINAPDT-UHFFFAOYSA-N 276.752 3.504 30 20 CHED COc1cc(NN=C2CCC[C@H]2C)ccc1Cl 788472477 VPOBXPQULGTHPB-SECBINFHSA-N 252.745 3.937 30 20 CHED C=CC(C)(C)CC(=O)N(CC(F)(F)F)c1ccccn1 888383117 JKMANYUSLGUMHX-UHFFFAOYSA-N 286.297 3.579 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1ccnc(Cl)c1 782195210 ULYDULQYDALUHD-AATRIKPKSA-N 268.703 3.503 30 20 CHED Cc1ccc(N(C)[C@H]2CCCN(CCC(C)(C)C#N)C2)cc1 784381240 SCJPIXMVKJKHRY-SFHVURJKSA-N 299.462 3.836 30 20 CHED CC(C)(C)OCc1cccc(NC[C@H](C#N)CCC#N)c1 899897485 ZCYLLVKKAJJPTC-HNNXBMFYSA-N 285.391 3.857 30 20 CHED Clc1oc2ccccc2c1C=NNCCc1ccccn1 789105852 VYBNHWWOYQYGBB-UHFFFAOYSA-N 299.761 3.647 30 20 CHED C=C1CCC(c2nc(Cc3cnccc3C)no2)CC1 896819418 SPJXLJNLRJFQJZ-UHFFFAOYSA-N 269.348 3.578 30 20 CHED FC(F)(F)c1cccc(NN=CCC2CCOCC2)c1 788698957 OLHLLIXTMOLUFP-UHFFFAOYSA-N 286.297 3.920 30 20 CHED CCOc1ccc(OCc2ccc(CC#N)cc2)c(C=O)c1 783898578 NOVNOHGXYLZZDE-UHFFFAOYSA-N 295.338 3.543 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccc(C(=O)O)cc1 783769695 IFFPRKQLWUICQR-WCQYABFASA-N 260.337 3.609 30 20 CHED CC(C)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1C#N 78588932 SENZVNFGQKTLCU-SECBINFHSA-N 250.323 3.603 30 20 CHED CC(C)(C#N)CCCN1CC[C@H]1Cc1ccccc1 409445709 ILNOAIZIHXFURR-INIZCTEOSA-N 256.393 3.633 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)NCC(C)(C)CCC#N 894858408 FKVWKPUQMIVEBL-MRXNPFEDSA-N 299.418 3.993 30 20 CHED COCCCON=C1CCC[C@H]1c1ccc(F)cc1 795048503 MCDRQWONRNCOBV-AWEZNQCLSA-N 265.328 3.502 30 20 CHED CCOc1cccc2cc(C(C)=NOCCSC)oc12 794573427 AZRYJWYMNTWTSO-UHFFFAOYSA-N 293.388 3.935 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](C)CCCc1ccccc1 791202252 YQETXJKMQHDWKL-NVXWUHKLSA-N 271.404 3.564 30 20 CHED Fc1ccc(/C=C/C=NOCCC(F)(F)F)cc1F 794933307 SAFMCYXJLADVJH-RNQMDFJESA-N 279.208 3.933 30 20 CHED O=C(/C=C/c1c(Cl)cccc1Cl)c1ccnc(O)c1 791431150 GKOSIOOBKRXWLC-SNAWJCMRSA-N 294.137 3.990 30 20 CHED CCc1cccc(C)c1NN=Cc1ncccc1C 799493705 MIGYVFHEOPKBBH-UHFFFAOYSA-N 253.349 3.707 30 20 CHED c1nc(NN=C2CCC3(CC2)CC3)c2ccsc2n1 792628093 NHQSSZADUKDBPF-UHFFFAOYSA-N 272.377 3.813 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(C#N)c(F)c1 798370233 HGPNNWHGFLSMPY-VOTSOKGWSA-N 297.333 3.679 30 20 CHED COc1ccc(/C=C\C(=O)c2cccnc2)c(Cl)c1 796973755 ADXHTXBGPCKVEF-ALCCZGGFSA-N 273.719 3.640 30 20 CHED C#CCCCCC(=O)Oc1cccc2c1CCC(C)(C)O2 799412882 HHTGNCCDFMXYED-UHFFFAOYSA-N 286.371 3.889 30 20 CHED C[C@H](CCC#N)N(C)Cc1cscc1Br 709981345 DMRGRLWLWXFZNE-SECBINFHSA-N 287.226 3.635 30 20 CHED CCC[C@H](Nc1ccc(C#N)cc1)[C@H](O)c1ccccc1 795210881 YXUDACFRKAGUNR-ZWKOTPCHSA-N 280.371 3.872 30 20 CHED CC[C@@H](C)CON=Cc1nc2ccc(OC)cc2s1 793144124 BTQJSRMYTLBUMO-SNVBAGLBSA-N 278.377 3.702 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC2(CC1)CC2 792631718 LMCWPTMCZUZHAO-UHFFFAOYSA-N 259.309 3.717 30 20 CHED Cc1nc(N2CC[C@H](c3ccco3)C2)c(Cl)cc1C#N 589686890 XANFBQPSWUDJIN-NSHDSACASA-N 287.750 3.502 30 20 CHED C#CCC1(C(=O)N(CCC)CC2CC2)CCCCC1 791124962 WDDFYNCMQXAULE-UHFFFAOYSA-N 261.409 3.609 30 20 CHED C#C[C@@H](NC(=O)C1=C(C)CCC1)c1ccc(Cl)cc1 794060615 PZESOTWUJXCFRC-OAHLLOKOSA-N 273.763 3.631 30 20 CHED CCC(CC)[C@@H](NC(=O)[C@@H](C#N)CC)c1ccccc1 593489416 UBYATOJTZDZQEM-GDBMZVCRSA-N 272.392 3.830 30 20 CHED C[C@@H]1CC(C)(C)c2cccc(NC(=O)C(C)(C)C#N)c21 1143401755 YGCULIBOUBRJSI-LLVKDONJSA-N 270.376 3.960 30 20 CHED CCOc1cc(C#N)ccc1OCCCC(C)(C)C#N 87598856 JKBCCOHZNIGRGP-UHFFFAOYSA-N 272.348 3.666 30 20 CHED CC(C)CN(CC(C)(C)C)c1ncc(C#N)cc1F 1162893027 XWZZPQJSPJENNC-UHFFFAOYSA-N 263.360 3.601 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)C2(c3cccc(C#N)c3)CC2)C1 1319908016 OREHAHFJSFWISW-CJNGLKHVSA-N 283.371 3.712 30 20 CHED CC1(C)c2ccccc2CCN1Cc1ccc(F)c(C#N)c1 1171426408 LNTXBGXWOIBUAN-UHFFFAOYSA-N 294.373 3.991 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2occ(C)c2C)c1 1325285798 GCWMYCIXHGGTOK-UHFFFAOYSA-N 267.328 3.544 30 20 CHED C[C@@H]1c2ccc(Cl)n2CCN1Cc1ccc(C#N)s1 1329870435 LGXZXEWKJVOUHI-SNVBAGLBSA-N 291.807 3.651 30 20 CHED C=CCC1(C(=O)N(C)Cc2cc3ccccc3[nH]2)CCC1 1320687835 GNBLTDXZPVXXEG-UHFFFAOYSA-N 282.387 3.873 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CSCc2cccs2)C1 1325324511 JTLGPYBJOVFKKQ-RYUDHWBXSA-N 295.429 3.607 30 20 CHED N#Cc1ccc(-c2nnc(C3CCCCC3)o2)cc1 1322891063 BDPPNFOXRKSDBK-UHFFFAOYSA-N 253.305 3.656 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@]1(C)CC(C)C 1324486290 IGVVIXHUDIWVTJ-KRWDZBQOSA-N 263.425 3.997 30 20 CHED CC[C@@H]1CCC[C@@H]1c1nnc(-c2ccc(C#N)cc2)o1 1327355752 XYYGAVBJDAVPPZ-OCCSQVGLSA-N 267.332 3.902 30 20 CHED CC(C)C[C@@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1 1185881425 RVKBHUVJVCCAJC-CYBMUJFWSA-N 296.374 3.987 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(F)c3cccnc23)C1 1337474966 MQTCZUBOUFIJAY-RYUDHWBXSA-N 298.317 3.613 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Cc1c[nH]c2ccccc12 1337552432 WYLHYSKNYNLVOD-OAHLLOKOSA-N 282.387 3.668 30 20 CHED C=CCC[C@@H](C(=O)N1CCCSC1)c1ccccc1 1336667110 YUONSHYYUBBPNS-OAHLLOKOSA-N 275.417 3.659 30 20 CHED CC1(C)C[C@@]1(C(=O)Nc1cccc(C#N)c1)c1ccccc1 1264121659 TYPBGESBLLJPLI-IBGZPJMESA-N 290.366 3.865 30 20 CHED N#Cc1cccc(-c2nnc(CCc3ccc(F)cc3)o2)c1 1341640548 OGHDQYLZSKWWAE-UHFFFAOYSA-N 293.301 3.533 30 20 CHED CC(C)C#Cc1nnc(COc2ccc(C(C)(C)C)cc2)o1 1261571726 LSGGKTMEBIFNBQ-UHFFFAOYSA-N 298.386 3.954 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(OC)c(C#N)c1 1344782296 CWYGLHFGYWCMKG-HNNXBMFYSA-N 299.374 3.529 30 20 CHED CC(C)CCC(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1349759648 AUODTPXCAKOHKP-SNVBAGLBSA-N 289.766 3.829 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)cc2)c(C(C)C)n1 1355067353 WEJKMXDKCLRASK-UHFFFAOYSA-N 279.343 3.637 30 20 CHED CN(C(=O)C[C@H]1C=CCC1)c1ccc(C#N)c(Cl)c1 1352815850 JVVBPVWARVWGAL-NSHDSACASA-N 274.751 3.531 30 20 CHED C#CC[C@@H](CC)c1nnc(N2CCCC[C@@H]2CC)n1CC 1352225414 GGHULLFTQUPEDM-CABCVRRESA-N 288.439 3.584 30 20 CHED C=C[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(F)(F)C2)c1ccccc1 1352464851 KWNYXDYBMARFAD-SOUVJXGZSA-N 291.341 3.745 30 20 CHED CCCCCCCC[C@@H](N)C(=O)Nc1cccc(N)c1C 1354397150 LRMCTXUYEMLKTP-OAHLLOKOSA-N 291.439 3.594 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C)n1Cc1ccccc1 1357586707 CKHJUQCDYVIHHY-QGZVFWFLSA-N 296.418 3.570 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1cccc(C)c1F 1288104993 URINILXWMJNVMJ-UHFFFAOYSA-N 282.318 3.673 30 20 CHED CCc1ccc(NC(=O)c2ccccc2SCC#N)nc1 1455184757 JUOVRMHXLGQWMA-UHFFFAOYSA-N 297.383 3.512 30 20 CHED C=Cc1ccc(C(=O)N2CCCc3cc(C#N)ccc32)cc1 1526493437 CWLLBPCOIPSURL-UHFFFAOYSA-N 288.350 3.794 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)O[C@@H](CC#N)c2ccco2)C1 1526993581 UKQXUSUOUYTEIW-BZPMIXESSA-N 261.321 3.604 30 20 CHED CN(C(=O)c1ccsc1C#N)c1ccc(F)c(Cl)c1 1520882920 RCUYCOZVVJBWSK-UHFFFAOYSA-N 294.738 3.689 30 20 CHED CC1(C)CN(C(=O)Nc2sccc2C#N)c2ccccc21 1467000570 VDUHYNLILSCABI-UHFFFAOYSA-N 297.383 3.949 30 20 CHED Cc1cccc(CN(C)C(=O)c2cc(C#N)ccc2F)c1C 1534168074 SYTIOIHYWSVXIO-UHFFFAOYSA-N 296.345 3.586 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C1C[C@H]2CCC[C@H](C1)C2 1537485250 JOXLTMMQPDASGF-GJZGRUSLSA-N 290.451 3.991 30 20 CHED CC(C)(C)C1CCC(CNc2cc(C#N)cnn2)CC1 1472724013 REZTWTSAFWOFSQ-UHFFFAOYSA-N 272.396 3.613 30 20 CHED C[C@@H](Sc1cccnc1C#N)c1cccc(C#N)c1 1613785675 NSIUCYSPNCTQAE-LLVKDONJSA-N 265.341 3.678 30 20 CHED CC[C@@H]1CCN(Cc2ccc(Cl)cc2C#N)[C@H]1C 1473403163 RPUBWFFGTXJCEQ-NWDGAFQWSA-N 262.784 3.832 30 20 CHED C=C(CNc1cc(C(C)(C)C)ncn1)c1ccccc1 1472800500 MTOCNLIDOGECML-UHFFFAOYSA-N 267.376 3.899 30 20 CHED Cc1cc(N[C@H]2CCCc3c(F)cccc32)ncc1C#N 1559201937 OEXUNINHBNIXBP-INIZCTEOSA-N 281.334 3.890 30 20 CHED CC[C@H](NC(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1562917441 VVDRYLAQKSVUJC-HNNXBMFYSA-N 297.333 3.970 30 20 CHED C=CCCOCCNCc1ccc(C(C)(C)C)cc1 229879710 KYJCFWOIVSKWGX-UHFFFAOYSA-N 261.409 3.666 30 20 CHED C[C@H](NC(=O)c1ccsc1C#N)[C@@H]1CCC[C@@H](C)C1 1585135217 NVPROIHIRKJDLC-GRYCIOLGSA-N 276.405 3.564 30 20 CHED C=C(CCC(=O)O)C(=O)Nc1ccc(-c2ccccc2)cc1 1588629359 IPYRZDYZZCNCEZ-UHFFFAOYSA-N 295.338 3.713 30 20 CHED Cc1cc(CN2CC[C@H](Cc3ccccc3)C2)ccc1C#N 1651861010 ROQJLSKVTDZQRG-LJQANCHMSA-N 290.410 3.931 30 20 CHED CC[C@H](CC(=O)Nc1cc(C)cc(C#N)c1)C(C)C 1583754760 AQAPKDPSPNOGPL-CQSZACIVSA-N 258.365 3.878 30 20 CHED N#Cc1cccc(C#N)c1NC[C@H]1CSc2ccccc21 1651090559 XDJLQBZIJYYLMC-AWEZNQCLSA-N 291.379 3.731 30 20 CHED CO[C@H]1c2ccccc2C[C@H]1Sc1cccc(C#N)c1 1652688534 IXPHMCIFLHRMHZ-SJORKVTESA-N 281.380 3.963 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)n2)c2ccccc2S1 1659202266 JFXBARDPJHSQRC-CYBMUJFWSA-N 295.411 3.844 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2ccsc2C#N)C1 1584438690 IQLYXSMPGRBQJO-JTQLQIEISA-N 263.362 3.745 30 20 CHED CC1CCC(C)(CNC(=O)c2cc(C#N)ccc2F)CC1 1586699723 UFRNTDMMJHLKPB-UHFFFAOYSA-N 288.366 3.644 30 20 CHED C[C@@H](NCc1ccc(F)c(C#N)c1)C1CCCCC1 230614556 ILVKDBGPWJEWJQ-GFCCVEGCSA-N 260.356 3.756 30 20 CHED Cc1cc(F)c(CNCc2cc(C#N)ccc2F)c(F)c1 1663283010 XLADBZCWAJMYAL-UHFFFAOYSA-N 290.288 3.574 30 20 CHED C=C[C@H](C)NCc1ccc(OCc2ccccc2)cc1 123202605 RTINCCUNTAIQFO-HNNXBMFYSA-N 267.372 3.930 30 20 CHED N#Cc1cc(NC(=O)N[C@@H]2CCCCC23CCCC3)ccn1 1673980709 MXPALCZMZUHVRL-OAHLLOKOSA-N 298.390 3.578 30 20 CHED C[C@H](NC(=O)NCc1ccc(C#N)cc1)C1CCCCCC1 1679521849 VULHGADDRIVFED-AWEZNQCLSA-N 299.418 3.716 30 20 CHED Cc1c(NN=C2CCC[C@H]2C(C)C)cccc1C(=O)O 1776087546 IRFKMQLFQGHADP-LBPRGKRZSA-N 274.364 3.917 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cc(C(=O)O)ccc1F 1777477267 TYQUDKLEDUFDRV-HWKANZROSA-N 290.315 3.790 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)C1CC2(CCC2)C1 1776076678 BAYFOZYPPLVMOA-UHFFFAOYSA-N 290.338 3.892 30 20 CHED N#Cc1cc(NC(=S)Nc2ccccc2)ccc1F 134320214 YWZBCLLONPYHDJ-UHFFFAOYSA-N 271.320 3.506 30 20 CHED Cc1cccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1C 16031112 HQIZBWHZMYSCEJ-AWEZNQCLSA-N 294.354 3.581 30 20 CHED CC(=O)Nc1cccc(CSCCCCC#N)c1 161688389 UYMZDAKIUOAALG-UHFFFAOYSA-N 262.378 3.572 30 20 CHED CC1(C)CCCN(Cc2ccc(C#N)cc2Cl)C1 162911268 RHBPEXZPNRCDSN-UHFFFAOYSA-N 262.784 3.834 30 20 CHED N#Cc1cccc(SCCCCCn2cccn2)c1 158782146 OTTPJMJTFHOIRR-UHFFFAOYSA-N 271.389 3.717 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 160939003 VCXYUOJRQAYTTP-NWDGAFQWSA-N 284.186 3.789 30 20 CHED CCC(=O)[C@@H](C)Sc1ccc(C#N)cc1Cl 163296172 BCFWZMILSKZYDG-MRVPVSSYSA-N 253.754 3.671 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(C(F)(F)F)ccc1C 156150380 FJGVMGCMBLNILX-LLVKDONJSA-N 299.296 3.828 30 20 CHED C=CCN(Cc1cccs1)Cc1cc(C#N)ccc1OC 155675900 CPUDGCCTVHUFAY-UHFFFAOYSA-N 298.411 3.817 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 154876489 QNCJOMGIDLXJGM-FGTMMUONSA-N 298.430 3.713 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2c2ccc(C#N)cc2)C1 107035992 KNJOEWVBMNKGKD-DOTOQJQBSA-N 254.377 3.963 30 20 CHED Cc1ccc([C@@H](C)Nc2nccc(C)c2C#N)cc1 124885961 HZMSFMMSYUQKJY-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2CCC[C@H]2C1 125186683 CXSPOIPEOGYHOV-QWRGUYRKSA-N 280.293 3.813 30 20 CHED Cc1ccsc1CNc1cccc(OCC#N)c1 37069536 XNFDCAJEQUCZMI-UHFFFAOYSA-N 258.346 3.571 30 20 CHED N#Cc1c(F)cccc1NCc1cccc(F)c1F 36888602 JETDEDNBHUNTIR-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1C1CCCCC1 179782630 ANVKKXRPCKHGMR-MRXNPFEDSA-N 261.409 3.751 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[C@H](C)CC 502780740 HBGRVISBASPTKH-CABCVRRESA-N 259.393 3.883 30 20 CHED C#C[C@H](NCc1csc(Cl)c1Cl)C(C)C 308831833 GLVAIDAELPJKRC-VIFPVBQESA-N 262.205 3.802 30 20 CHED C=CCCCN(C)Cc1ccc(Br)cc1 404220625 SXVQBQJZTSFXOZ-UHFFFAOYSA-N 268.198 3.847 30 20 CHED C=CCN(C)Cc1cc(Cl)ccc1Br 463214372 PPVSNQGBFPRMLW-UHFFFAOYSA-N 274.589 3.720 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)CSC 470648394 JICSWBXADBKXSN-AWEZNQCLSA-N 277.433 3.590 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(OC)cc1OC 595058682 JBNVKUVGCBFTNW-ZDUSSCGKSA-N 295.448 3.664 30 20 CHED CCSC1(CNc2cccc(Cl)c2C#N)CC1 596512439 FFUNZCPVABMYPI-UHFFFAOYSA-N 266.797 3.909 30 20 CHED CCS[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 176983491 PESQYPJATJOJHO-CVEARBPZSA-N 274.433 3.712 30 20 CHED C=CCOCCCC(=O)N[C@H](CC)c1ccc(F)cc1F 173640122 QVLNDPOARBQLHE-OAHLLOKOSA-N 297.345 3.515 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)OC1CCCCCC1 119728227 FZWXEDFJAZZVSV-CQSZACIVSA-N 267.413 3.539 30 20 CHED C[C@H](Sc1ccccc1Cl)C(=O)NCCCCC#N 171500950 NHDSQOURGZNNQB-NSHDSACASA-N 296.823 3.631 30 20 CHED CCN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)C 177087983 FPENNLHDWVIJJY-UHFFFAOYSA-N 269.310 3.787 30 20 CHED C=CCCCSCCC(=O)N1CCc2sccc2C1 117944927 NPVYTGBQJJKWBW-UHFFFAOYSA-N 295.473 3.722 30 20 CHED Cc1ccccc1C1CCN(C(=O)C2(C#N)CCCC2)CC1 170954788 YENHJVKDDYBGKH-UHFFFAOYSA-N 296.414 3.785 30 20 CHED C=CCCCN1CCC[C@H](CN2CCCC[C@H]2C)C1 246695360 KRGQKUJXKGYDAP-SJORKVTESA-N 264.457 3.539 30 20 CHED N#Cc1cccc(CN(Cc2cccc(F)c2)C2CC2)c1 52161567 PJVAYMHCKKEUSQ-UHFFFAOYSA-N 280.346 3.862 30 20 CHED Cc1cc(C(=O)N(CCC#N)CCC(C)C)c(F)cc1F 176300649 BEJUJPXORCDLFC-UHFFFAOYSA-N 294.345 3.675 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccccc1 175314712 WFDXQPAHKOFHSV-VOTSOKGWSA-N 260.239 3.567 30 20 CHED C/C(=C\C(=O)N[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 172916975 MXTCABDAAFNXSG-UQSGXBNBSA-N 296.292 3.527 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2ccc(O)c(Cl)c2)c1 119265883 QAVWVYYMZGHXTA-GQCTYLIASA-N 283.714 3.813 30 20 CHED N#Cc1cccnc1N[C@@H](c1ccccc1)c1nccs1 301184763 JBUFVCKOMAPDAT-AWEZNQCLSA-N 292.367 3.611 30 20 CHED COc1ccc([C@@H](C)N(C)c2ccc(C#N)cc2F)cc1 301499180 CWBMHVGVPUMBJQ-GFCCVEGCSA-N 284.334 3.903 30 20 CHED CC(C)(C)OC1CCN(c2c(Cl)cccc2C#N)CC1 301641772 NSLJAVRQFYBBII-UHFFFAOYSA-N 292.810 3.996 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2csc(-c3ccccc3)n2)C1 178790305 GPWDSTPNLCLYMO-AAEUAGOBSA-N 298.367 3.659 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ccnc(Cl)c1 310876519 HCBSAJOPDCFCJN-UHFFFAOYSA-N 279.126 3.839 30 20 CHED COCCC1(CNc2ccc(F)cc2C#N)CCCC1 301658826 LZQOSRYOBZWTKU-UHFFFAOYSA-N 276.355 3.706 30 20 CHED CC1(C)CC[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)C1 1346601573 PYWBVFCGDNFGGM-CYBMUJFWSA-N 267.332 3.902 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)/C=C/C=C/C)c1 303202824 OPLPGYYJAZNUCI-IBAXKFRNSA-N 291.350 3.926 30 20 CHED CCc1ccc([C@@H](CO)N[C@@H](C)c2ccc(C#N)cc2)cc1 305766248 FGKXAFWLYFKGAG-IFXJQAMLSA-N 294.398 3.505 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)C(C)C 171913001 ATBGWNAJXKVAIH-LBPRGKRZSA-N 251.395 3.555 30 20 CHED Cc1cc(F)ccc1CN(CCC#N)CC(C)(C)C 353422858 ONDXSJZSNMBNDA-UHFFFAOYSA-N 262.372 3.896 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C(/C)C(C)(C)C 121582742 XSYPRHBCJHBGRM-QBFSEMIESA-N 264.413 3.958 30 20 CHED N#Cc1c(N2CCC[C@@H]2c2ccsc2)nc2ccccn12 302118382 WZRCERGSADOESN-CYBMUJFWSA-N 294.383 3.609 30 20 CHED CCc1ccc([C@H](CO)N[C@@H](C)c2cccc(C#N)c2)cc1 305779097 MWUKKQNLADRHKJ-LIRRHRJNSA-N 294.398 3.505 30 20 CHED COc1ccc(C(C)(C)CN[C@H]2CCC[C@@H](C#N)C2)cc1 185822058 UHJCUOKWPDBKSL-ZBFHGGJFSA-N 286.419 3.645 30 20 CHED CCc1nc2cc(NCc3cccc(C#N)c3)ccc2o1 37786062 PUVFQSWODQSFMC-UHFFFAOYSA-N 277.327 3.874 30 20 CHED C[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 122583562 ANCYHJUWAYDDLR-LBPRGKRZSA-N 291.354 3.616 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 185158629 LWIDOSOINRKMOR-UHFFFAOYSA-N 282.343 3.638 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C2CCCC2)nn1C 189199228 KDXIZPRYMNIXKS-MRXNPFEDSA-N 275.396 3.619 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)NC2(C#N)CCCCC2)C1(C)C 73171425 KAOKIBJWKAEEDB-UONOGXRCSA-N 274.408 3.567 30 20 CHED Cc1ccc(CN(CCC#N)Cc2ccco2)c(C)c1 123051362 YYXRNSVDOMVRAS-UHFFFAOYSA-N 268.360 3.812 30 20 CHED COc1ccc2c(c1)C[C@H](Nc1ccc(CC#N)cc1)CC2 316994798 MIWBAIVSZRZKCO-GOSISDBHSA-N 292.382 3.731 30 20 CHED Cc1cc(C(=O)Nc2sccc2C#N)ccc1Cl 151750806 UHGUDGRJAKCECA-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1cnccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 121190870 KOZAJJMLBQBDLK-INIZCTEOSA-N 294.358 3.557 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](C)C#N 410885966 YEECLRXLKPYQLH-ZFWWWQNUSA-N 264.413 3.744 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)n(C)c1C 412843960 SWTMOVXZLYZPFV-KRWDZBQOSA-N 296.414 3.559 30 20 CHED CC1(CC(=O)[C@H](C#N)c2ccccn2)CCCCC1 126061812 GHLRCHITQCGGRF-CYBMUJFWSA-N 256.349 3.618 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)[C@@H](C)C(C)C 181103921 OIOFPKGJZGZJFS-KBPBESRZSA-N 254.418 3.807 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccnn1C(C)C 126760521 JDLIDXORMTZPIF-UHFFFAOYSA-N 289.423 3.673 30 20 CHED Cc1cccc(C)c1OC[C@@H](NCCC#N)c1ccccc1 411469299 AIDSVYISXSXYCA-GOSISDBHSA-N 294.398 3.927 30 20 CHED N#CC1(NC(=O)CCc2ccc(Cl)cc2)CCCCC1 73171430 QNBBKPHFOVLKDY-UHFFFAOYSA-N 290.794 3.615 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 216208940 UFYSWWWMZNAALJ-ZDUSSCGKSA-N 294.826 3.873 30 20 CHED N#Cc1ccc(N2CCSC3(CCC3)CC2)c(F)c1 413477357 GFBNSIWLBWWAIE-UHFFFAOYSA-N 276.380 3.563 30 20 CHED Cc1cc(OCCc2cscn2)c(C)c(C)c1C#N 419016554 DUVXHBNSTOYMGQ-UHFFFAOYSA-N 272.373 3.562 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(F)c(CC)c1 506650570 ZSQHIKFSBCISGR-ZDUSSCGKSA-N 292.398 3.613 30 20 CHED CC[C@]1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412145663 DHWPQLCCIVFISK-YQVWRLOYSA-N 296.414 3.700 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1CCC1CCCC1 410241458 OCMMQUIOINHZCG-MRXNPFEDSA-N 269.392 3.892 30 20 CHED C=C[C@@H](CC)OC(=O)Cc1c(C)[nH]c2ccccc12 181245244 FHBMYHKSWPDHNX-LBPRGKRZSA-N 257.333 3.527 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccs1 500306616 XLRUODFIHILXBJ-UHFFFAOYSA-N 298.411 3.918 30 20 CHED COc1ccc(/C=C2\CCc3c(OC)cccc3C2=O)cc1 60247309 LFTZXNZRINZZOW-WYMLVPIESA-N 294.350 3.916 30 20 CHED C=CCCC(=O)Nc1c(C)ccc(F)c1Br 411014860 LUKZLXUWUDZZBN-UHFFFAOYSA-N 286.144 3.801 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)[C@@H](C)CC 183388771 OIFSPPWFRYRRPF-RYUDHWBXSA-N 274.364 3.578 30 20 CHED CC1CCC(CC(=O)N[C@H](C#N)C2CCCCC2)CC1 506541623 XKZPYIOJUDCEDH-ZBCRRDGASA-N 276.424 3.791 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@H](C)CC(F)(F)F)c1 417205306 HQRGWJYXQMLSSP-SNVBAGLBSA-N 299.296 3.577 30 20 CHED C=CCC1(C(=O)NCc2ccc(C)cc2OCC)CCC1 189249823 ZQPVEYBGGDFKPG-UHFFFAOYSA-N 287.403 3.756 30 20 CHED CC1(C)CCCN(CCCc2ccccc2)[C@H]1C#N 444719877 NVJDPVVOTMOMLH-INIZCTEOSA-N 256.393 3.633 30 20 CHED CCc1ccc([C@@H](COC)N[C@@H](C)c2ccc(C#N)cc2)o1 181812350 NTLZHLGXOUMCAR-SUMWQHHRSA-N 298.386 3.752 30 20 CHED Cc1cccc2c1OC/C(=C/c1cccc(F)c1)C2=O 48985547 VBPCUDSTQRWFAJ-JYRVWZFOSA-N 268.287 3.793 30 20 CHED CC(C)C[C@@H]1CCN(c2nc(Cl)c(C#N)s2)C1 288228657 FCPLLEYITTWVEK-VIFPVBQESA-N 269.801 3.541 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)c1ccc2ccccc2c1 84709956 IEUQFICSWSDRMP-WBMJQRKESA-N 267.328 3.789 30 20 CHED C=CCSCCNC(=O)[C@H](Cc1ccccc1)C(C)C 508904201 YYONZSLELOTWJK-MRXNPFEDSA-N 291.460 3.537 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1 329387940 QJNKDZFKXVMGGI-SJORKVTESA-N 293.370 3.594 30 20 CHED CCOCCC1(CNCC(C)(C)CCC#N)CCC1 130766174 ACPDISRPZITBLS-UHFFFAOYSA-N 266.429 3.503 30 20 CHED CCCc1ccc(S(=O)(=O)/N=C(\O)CC(C)(C)C)cc1 45098585 VZKCXOPHPBSNQT-UHFFFAOYSA-N 297.420 3.721 30 20 CHED CC(=O)c1ccc(OCc2cc(F)ccc2C#N)c(C)c1 229947236 AQAQHKCEBLQQBV-UHFFFAOYSA-N 283.302 3.787 30 20 CHED C#Cc1cccc(NC(=O)N(C)C2CCC(C)CC2)c1 43983032 AKRIVNASKWPTKL-UHFFFAOYSA-N 270.376 3.710 30 20 CHED CCC[C@H](C)N(C)c1ccc(C#N)c(Br)c1 228178767 KLXHQBNQKCSDRE-JTQLQIEISA-N 281.197 3.946 30 20 CHED C=CCN(Cc1cc(C)c(C(=O)O)o1)Cc1cccs1 519167390 SWBWUSKCNHWLLQ-UHFFFAOYSA-N 291.372 3.536 30 20 CHED C=CCc1cccc(F)c1OCCC1CCOCC1 424107268 ZBVLVPREXKVKKO-UHFFFAOYSA-N 264.340 3.750 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1cccc(CC#N)c1 42194560 LEYRIFGOTCWTKL-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C[C@@H](NCCCN(C)c1ccccc1)c1cccc(C#N)c1 192914384 PZHXNZLJGSDWGF-MRXNPFEDSA-N 293.414 3.735 30 20 CHED C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 130502848 IBSIAROABIQHIP-QAPCUYQASA-N 292.382 3.951 30 20 CHED C=CCc1cc(OC)cc(CN(C)C2CCCC2)c1O 194572243 KTHKODTVSMKWOU-UHFFFAOYSA-N 275.392 3.504 30 20 CHED C=CCN(C(=O)CCSc1ccccn1)c1ccccc1 87086889 GSLUOILMGMHBSU-UHFFFAOYSA-N 298.411 3.783 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cnc(C3CCCC3)s2)C1 424204263 VDRFCMYUTSXBOA-YPMHNXCESA-N 275.421 3.583 30 20 CHED CCN(C(=O)c1cccs1)[C@H](C)c1ccc(C#N)cc1 45499042 YCVHDNDVVWQKBT-GFCCVEGCSA-N 284.384 3.843 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCCC(F)(F)F 425123149 DHTXKQMCUKYTEJ-LLVKDONJSA-N 298.308 3.810 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2scc(C)c2C#N)C1 514907727 JTUGPIUESRPOBR-LLVKDONJSA-N 277.393 3.582 30 20 CHED C=C[C@@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] 426569696 CUSWXRFVRFKRDB-SOIVGHGOSA-N 272.348 3.649 30 20 CHED C=C(C)CCN[C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 512237106 MRUVLAIULDBMPL-MRXNPFEDSA-N 295.810 3.674 30 20 CHED CCOc1cc(Cl)ccc1NCc1cc(C#N)n(C)c1 191318887 JPTAXVAMANADCW-UHFFFAOYSA-N 289.766 3.561 30 20 CHED Cc1c(COc2ccccc2)cccc1N[C@@H](C)C#N 83017330 AWHWTWDZSSWKTQ-ZDUSSCGKSA-N 266.344 3.898 30 20 CHED Cc1c(NC(=O)CCC2CCCC2)ccc(C#N)c1C#N 421561464 SRTJIVUGFCXYTD-UHFFFAOYSA-N 281.359 3.647 30 20 CHED C/C(=C\C(=O)N(CC#N)c1ccccc1)c1ccccc1 195115966 PWWZFVJUCMVLCC-CCEZHUSRSA-N 276.339 3.647 30 20 CHED C=CC[C@@H](CC)NC(=O)CCC(=O)c1ccc2c(c1)CCC2 337085770 DOKUGGZYPGAMLF-QGZVFWFLSA-N 299.414 3.609 30 20 CHED N#Cc1csc(CN(Cc2ccccc2)CC(F)F)c1 93735798 AEAHBEJRPXZASS-UHFFFAOYSA-N 292.354 3.887 30 20 CHED CC[C@@H](C(=O)N(CCC#N)CC(C)C)c1ccccc1 48151364 YXOYRCPSVZBEPT-MRXNPFEDSA-N 272.392 3.578 30 20 CHED COc1c(Cl)cccc1NC(=O)c1ccc(C#N)s1 336351529 UXVIQNPQDLZTBT-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C[C@@H](N[C@H](C)c1ccncc1F)c1ccc(C#N)cc1 338006505 CSAMJUFQJVUJSV-VXGBXAGGSA-N 269.323 3.504 30 20 CHED N#CCCC[C@H](NC(=O)[C@@]12CCC[C@H]1C2)c1ccccc1 421572776 FOBTXOADKSOXJU-XYJFISCASA-N 282.387 3.728 30 20 CHED C=C(CNC(=O)N1[C@@H](CC)CC[C@H]1C)c1ccccc1 512660472 NLORPTGFIZEETM-ZBFHGGJFSA-N 272.392 3.672 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)cc1C#N 435161576 DUHRQZZIHGGQSO-WDEREUQCSA-N 277.343 3.644 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccnc1C 93101046 SUPDGAKGPARRAG-UHFFFAOYSA-N 259.397 3.542 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(-c3nccs3)c2)C1 335381738 ZADPTDSJEOVJCN-SMDDNHRTSA-N 269.373 3.914 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC(c2ccc(F)cc2C)CC1 431294387 YWWZUKHKDPHIRP-CYBMUJFWSA-N 290.382 3.598 30 20 CHED C=C(C)CNC(=O)N[C@H](CC)C(C)(C)c1ccccc1 430042821 REKIACOSBHCGTQ-OAHLLOKOSA-N 274.408 3.618 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cncs1 340441145 UALDSIKEUJAJFZ-UHFFFAOYSA-N 298.820 3.686 30 20 CHED Cc1ccc(C(=O)Nc2scc(C)c2C#N)cc1F 344927607 LGUZTWKSURQCJI-UHFFFAOYSA-N 274.320 3.628 30 20 CHED CN(C(=O)C1(c2cccc(C#N)c2)CC1)C1CCCCCC1 435144260 CJTGZVUMIVIPNZ-UHFFFAOYSA-N 296.414 3.771 30 20 CHED CC(C)COC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccco1 248749073 FQKUQAJCMFQCOF-PMPSAXMXSA-N 290.407 3.665 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 528567636 IEWLAIAXAGQHLJ-GOSISDBHSA-N 298.430 3.897 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2sccc2C#N)C1 245788813 ZZIRBTXLSGUSGP-IAZYJMLFSA-N 262.378 3.631 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc2ccccc2s1 435743643 SZOQNVOXEZYDNV-WMLDXEAASA-N 287.428 3.972 30 20 CHED C[C@@H](c1c(F)cccc1F)N(C)CCCSCC#N 342177282 LODMMRHNPMWWEH-NSHDSACASA-N 284.375 3.604 30 20 CHED C=CCCOCCCCC(=O)N(C)Cc1cccc(F)c1 342614901 GBUFNLLECAFBTJ-UHFFFAOYSA-N 293.382 3.547 30 20 CHED C[C@H](CC#N)N(C)C(=O)CSc1ccc2ccccc2c1 349361416 BSELFHMNCNULEC-CYBMUJFWSA-N 298.411 3.692 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cc(C#N)cs1 437138637 XVQHNCPZCPTDJR-QWHCGFSZSA-N 290.432 3.954 30 20 CHED COc1ccc(CN2CCCC3(CCCC3)C2)cc1C#N 438357450 SJRZFZGUCFKOBH-UHFFFAOYSA-N 284.403 3.723 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1ccsc1 343258630 JDOBJJKUPVHEDH-NEPJUHHUSA-N 251.395 3.713 30 20 CHED CC(C)(C#N)CCSc1ncc(C(C)(C)C)[nH]1 601097668 YGMPKCUUQHJGNB-UHFFFAOYSA-N 251.399 3.739 30 20 CHED COc1ccc(/C=C\C(=O)c2cccs2)cc1C#N 255842336 HTRWHQDBBMTUQR-XQRVVYSFSA-N 269.325 3.524 30 20 CHED C=CCC(C)(C)C(=O)NCc1nc2ccccc2s1 431764176 YXCPWYHZARPUKZ-UHFFFAOYSA-N 274.389 3.515 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2ccccc2cc1O 436727981 GIHIVHKXPOXKQL-OAHLLOKOSA-N 281.355 3.726 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)NCCCC#N)CC1 436316219 IKCNLBADWFVLAX-ZIAGYGMSSA-N 279.428 3.584 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cccc(N2CCCC2=O)c1 343463669 MQPJRJYCLKSIGE-GDBMZVCRSA-N 286.419 3.819 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)c1ccc2nc(O)oc2c1 600853192 YLZMDNBXAIQQMK-JTQLQIEISA-N 279.299 3.578 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc3cc[nH]c3c2)no1 528116215 LRQVSEHAUDQDJV-UHFFFAOYSA-N 280.331 3.799 30 20 CHED C=CCOCCCN1CCC[C@H]1c1ccc(C)s1 348052267 NRDVSKBJKXFKKK-AWEZNQCLSA-N 265.422 3.786 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 609920730 FCCPRMWOWKRHOI-UONOGXRCSA-N 294.354 3.816 30 20 CHED COc1ccc2ccccc2c1CN[C@H]1CC[C@H](C#N)C1 349803961 RTWOFBZIPBNBDT-ZFWWWQNUSA-N 280.371 3.630 30 20 CHED C=C[C@H](Cc1nc([C@@H]2CC[C@H](C)O2)no1)c1ccccc1 528245723 WBHHNVFZRWTHRP-GUTXKFCHSA-N 284.359 3.822 30 20 CHED C=CC1CCN(Cc2cccc(OC(C)C)c2)CC1 600681474 MRFNMXAYGDPTGX-UHFFFAOYSA-N 259.393 3.872 30 20 CHED Cc1cc(C)nc(Nc2ccc(C(C)(C)C#N)cc2)n1 603552852 KTHLBAWKVBMJNP-UHFFFAOYSA-N 266.348 3.638 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1ccccn1 254796954 BTNFXJQZNJHJRY-UHFFFAOYSA-N 279.265 3.937 30 20 CHED C=CCCCN(C)C(=O)c1ccn(Cc2ccccc2)c1 358965057 JYXJWYPLSMHDMP-UHFFFAOYSA-N 282.387 3.575 30 20 CHED C=CCC1(C(=O)NCc2ccc(OC)cc2)CCCCC1 448560658 IQSRAIMIGBXJTQ-UHFFFAOYSA-N 287.403 3.838 30 20 CHED N#C[C@H]1CC[C@H](NCCCCc2ccc(F)c(F)c2)C1 442846515 ZRRSZLZOFLBXLT-KBPBESRZSA-N 278.346 3.569 30 20 CHED C=CCCC(=O)Nc1ccc2cn(C(C)C)nc2c1 353489348 ISABQYVNRJZIOT-UHFFFAOYSA-N 257.337 3.522 30 20 CHED CCCOc1cc(C)ccc1N[C@H]1CC[C@@H](C#N)C1 442876353 QYXFURVYZYHQFH-KGLIPLIRSA-N 258.365 3.888 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(COCC3CC3)c2)C1 442860174 RTHUXEUAAJKPHW-PBHICJAKSA-N 270.376 3.717 30 20 CHED C[C@H](CC1CCC1)NCCSCc1ccccc1C#N 610804898 SKBPMYBJKPMRNN-CQSZACIVSA-N 288.460 3.960 30 20 CHED N#C[C@H]1CC[C@@H](NCCCOc2ccc3ccccc3c2)C1 442799565 ZBTASJBBHFBRMJ-MAUKXSAKSA-N 294.398 3.891 30 20 CHED Cc1cc(F)cc2c1N(CCC(C)(C)C#N)CCC2 537362829 HEQYEPKWVIWRSK-UHFFFAOYSA-N 260.356 3.827 30 20 CHED CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 266676874 ZYEFEGKQRYDKGQ-CQSZACIVSA-N 280.371 3.808 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@](C)(C#N)C2)C1 612367361 FKDLTQWXRJKJQL-BFYDXBDKSA-N 291.439 3.536 30 20 CHED CC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 447572452 CANFZYNYBKQTCB-MRXNPFEDSA-N 295.342 3.707 30 20 CHED N#Cc1ccc(N[C@H]2CCc3cc(C#N)ccc32)cc1 618694505 MEHZCQGNUMTCSV-KRWDZBQOSA-N 259.312 3.529 30 20 CHED CCS[C@H]1CCCCN(c2nc(C)cc(C)c2C#N)C1 350730896 WGRSJEMMEVVCNV-AWEZNQCLSA-N 289.448 3.682 30 20 CHED C[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1cc2ccccc2o1 457495149 ASGRBBSBUPWEIY-GFCCVEGCSA-N 299.374 3.685 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 362693117 SWEMNAOULJFOID-ZETCQYMHSA-N 276.233 3.541 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2ccccc21 618803373 VVUIBBNVPMADKG-RBUKOAKNSA-N 274.367 3.823 30 20 CHED CC[C@](C)(C#N)C(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 367738097 RNZIOKZPRFKTFQ-QGPMSJSTSA-N 284.403 3.639 30 20 CHED C=C(C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 453325871 UVJLEFZILLSPHT-QGZVFWFLSA-N 254.377 3.882 30 20 CHED N#Cc1cc(C(=O)N2Cc3ccccc3-c3ccccc32)c[nH]1 611510992 GPJMUUXINZPDDE-UHFFFAOYSA-N 299.333 3.714 30 20 CHED CC(C)C[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)N(C)C 611390651 MTEMMHMELGLPAL-PKOBYXMFSA-N 299.462 3.502 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1CC1(C#N)CCC1 451149553 QDEOZONYAMGBGG-QJPTWQEYSA-N 274.330 3.732 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(Cl)c1)C(C)C 619755708 PWWIUMQKBBWOII-CQSZACIVSA-N 250.773 3.736 30 20 CHED C=CCN(Cc1cnc(C2CC2)nc1)Cc1cccs1 459316437 YPQJBCINSKCMOO-UHFFFAOYSA-N 285.416 3.604 30 20 CHED N#Cc1ccc(Oc2ccc3nccnc3n2)c2ccccc12 549299547 UFUCHZHWNYJEAK-UHFFFAOYSA-N 298.305 3.842 30 20 CHED N#CCc1cccc(NC(=O)c2cccc3c2CCCC3)c1 456756180 SHHODCIGVYCUGE-UHFFFAOYSA-N 290.366 3.884 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 454537131 CFAMQXULFRORMZ-CYBMUJFWSA-N 299.374 3.668 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2c(c1)CCC2 540535632 ZMXPQDZYIRQMEH-CYBMUJFWSA-N 257.377 3.650 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCCCC1(C)C 543236283 FSQWADQPYQDQNV-OLZOCXBDSA-N 252.402 3.609 30 20 CHED C=CCCc1noc(-c2cc(OC)c(OC)cc2Cl)n1 453243283 ZCAQTVXAWXYMEO-UHFFFAOYSA-N 294.738 3.526 30 20 CHED CC#CCCCC(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 458030126 PXKVVCZLAPBMRK-ZWKOTPCHSA-N 283.415 3.975 30 20 CHED COc1cc(-c2ccccc2)ccc1CNCCCC#N 273061910 MMOHAHSJUDIFLD-UHFFFAOYSA-N 280.371 3.756 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)[C@@H]1CCOC(C)(C)C1 458805529 AOPDCASWCWINQH-CQSZACIVSA-N 296.455 3.578 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CCC(C)C)C1CC1 549232775 HFYSVDZKCNQRMF-IKGGRYGDSA-N 265.441 3.772 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(CCCc2ccccc2)no1 279026598 PDUQEJIMFKGUEN-NVXWUHKLSA-N 298.386 3.694 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1OCC1CC1 276185914 WHLLUQLEVULYQT-UHFFFAOYSA-N 274.364 3.515 30 20 CHED C=CCC1(C(=O)N2CCC=C(c3ccncc3)C2)CCCC1 451723413 ZXJOQBIHDYWHEM-UHFFFAOYSA-N 296.414 3.834 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2ccc(Cl)cc2C1 455370386 QUFIOMIVZYZWAQ-UHFFFAOYSA-N 292.810 3.620 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NCC1CCC(C(C)(C)C)CC1 450147273 MZTQOAXHQKIWHS-QROZZAMVSA-N 276.424 3.505 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2ccc(Cl)cc21 458984448 GHXSDNCERSRQCF-UHFFFAOYSA-N 278.783 3.624 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2c[nH]c3ccccc23)no1)OCC 278274623 VUMLTMGMYYDOFB-OAHLLOKOSA-N 297.358 3.742 30 20 CHED CC(C)(C#N)CCSCCOc1cccc(C#N)c1 276616636 MYBHFBFGXBZQKS-UHFFFAOYSA-N 274.389 3.610 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)c1ccc(CC#N)cc1 270416986 SMXFRHZZNHCGMR-QGZVFWFLSA-N 284.403 3.793 30 20 CHED CCc1cc(N[C@@H](CCC#N)c2ccccc2)nc(C)n1 272938013 WKZAIIURTZGTEP-INIZCTEOSA-N 280.375 3.804 30 20 CHED C=C[C@@H](Cc1nc(Cc2cscn2)no1)c1ccccc1 544986874 FPAPLSXYUOYSEY-LBPRGKRZSA-N 297.383 3.629 30 20 CHED CC[C@H]1Cc2ccccc2CN1Cc1cc(C#N)cs1 468680937 QKGWZLMNCVRKCR-INIZCTEOSA-N 282.412 3.957 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@H]1C#N)[C@@H](C)C1CCCCC1 461960296 VBMFZGZAQXEUPV-BFJAYTPKSA-N 291.439 3.583 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC(c2ccsc2)CC1 281241852 FODTUPONZUADEO-HNNXBMFYSA-N 292.448 3.992 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CCC(F)(F)C1)c1ccccc1 280746590 PORNZDBQRYPYCM-ZIAGYGMSSA-N 293.357 3.898 30 20 CHED COc1cc(C#N)ccc1OCCCCC1CCOCC1 281084838 WUOVULUZRPQLOE-UHFFFAOYSA-N 289.375 3.543 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc2c(c1)CCCC2 464157979 MRTDEWCRSXZGEF-SFHVURJKSA-N 284.403 3.624 30 20 CHED C[C@@H]1CN(CC#Cc2cccc(Cl)c2)CCC1(F)F 554945214 DQALMDYIEVEFSG-GFCCVEGCSA-N 283.749 3.669 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ncsc1C(C)C)OCC 289239174 WDOGTFIJBFYRMP-LLVKDONJSA-N 282.409 3.576 30 20 CHED CC(C)CC1(C(=O)N[C@H](C)c2ccc(C#N)cc2)CCC1 464856537 KJIWWPPTZIRKAN-CQSZACIVSA-N 284.403 3.952 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccccc2OCC(C)C)no1 289082912 JFQQSLHDNQVGBW-KRWDZBQOSA-N 299.374 3.963 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)s1 280697827 SBYMPZLFHOVJGQ-HDJSIYSDSA-N 268.385 3.656 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1Cl)[C@@H](C)C(C)C 288726505 ZKXFMFXOXCRQGE-NSHDSACASA-N 278.783 3.718 30 20 CHED C=CCN(C(=O)c1ccc2ccn(C)c2c1)C(C)(C)C 637408543 PWGLBKLGLASRCJ-UHFFFAOYSA-N 270.376 3.605 30 20 CHED CC1(C)CCCc2cc(C#N)c(N[C@@H]3CC[C@@H](F)C3)nc21 554684998 MEGMTHFZAGRYRL-ZIAGYGMSSA-N 287.382 3.870 30 20 CHED C=CC[C@@H]1N(c2nnc(C)n2CC(=C)C)CCCC1(C)C 460561446 QJGCMVLYZVSPDD-HNNXBMFYSA-N 288.439 3.734 30 20 CHED CN(Cc1c(Cl)cccc1Cl)c1ccnc(C#N)c1 557541654 VENKXWLMPXZAKP-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)Cc1ccc(C)cc1C 468022663 PVRKDIOKABIJSZ-YJBOKZPZSA-N 273.420 3.953 30 20 CHED CCCC[C@H](C)C(=O)Nc1ccccc1O[C@H](C)C#N 283615614 UTZUXHDQDQOCFK-QWHCGFSZSA-N 274.364 3.742 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1ccc2cc[nH]c2c1 473541495 OQZSRTQLLLTEHC-UHFFFAOYSA-N 268.360 3.899 30 20 CHED N#CC1(N(C(=O)CCC2CCCCC2)C2CC2)CCC1 477394414 RORQVGICAASLIU-UHFFFAOYSA-N 274.408 3.784 30 20 CHED C#CCO[C@H](C)c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 297864071 UFAPTVBMPSGWFY-GFCCVEGCSA-N 295.342 3.546 30 20 CHED CC(C)(C)CCC(=NNc1cnccn1)c1cscn1 807962959 SDLSCLMSEUKDKN-UHFFFAOYSA-N 289.408 3.576 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1cccc(C2CCC2)c1 291988126 GIISSKGRYDVIKS-GFCCVEGCSA-N 271.364 3.577 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2cccc(C)c2)C1 292719783 IOJXMHHGESXQBZ-INIZCTEOSA-N 271.404 3.913 30 20 CHED CC[C@H](c1ccc(Br)cc1)N(C)C[C@@H](C)C#N 472779572 TXIFBXMRFDKRHW-SMDDNHRTSA-N 295.224 3.992 30 20 CHED C=CCCCCN[C@H](C)CCc1n[nH]c2ccccc12 471598084 IRWMODLARQXNHP-CQSZACIVSA-N 271.408 3.830 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C(C)C)cc1 473693814 LCYJQMIVAXFKKN-SFHVURJKSA-N 289.419 3.655 30 20 CHED CCSCc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1 560467949 YTQZQNBKACDNIB-UHFFFAOYSA-N 288.416 3.818 30 20 CHED C=CCC[C@H](CC)NCc1cc(C)nc(N2CCCC2)c1 564616344 PGPACPRGBUJXDA-KRWDZBQOSA-N 287.451 3.825 30 20 CHED C#CCCNc1cc(-c2cncc(F)c2)ccc1C 800879449 IGNRJQHESCYHHH-UHFFFAOYSA-N 254.308 3.631 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc(Cl)c(F)cc1Cl 293606201 WECVUYPZKUHZMK-ZETCQYMHSA-N 289.137 3.555 30 20 CHED C=CCCCC(=O)NC[C@@H](OC)c1ccc(Cl)cc1 479829213 JKXYHKCDOMPCEE-CQSZACIVSA-N 281.783 3.500 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCCC[C@H]1CC(C)C 642711675 OYOCLCAGSMPIDD-HNNXBMFYSA-N 290.455 3.822 30 20 CHED C=CCN(CC=C)Cc1ccccc1OCC(C)C 569627927 WQRCKVBSILKSNY-UHFFFAOYSA-N 259.393 3.895 30 20 CHED CN(CC(C)(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 475527891 IFSFUYLZGFPDGE-UHFFFAOYSA-N 272.392 3.606 30 20 CHED C=CCC(C)(C)CNC(=O)CSc1ccc(F)c(F)c1 489765057 HVEZFGJFHDUSAM-UHFFFAOYSA-N 299.386 3.775 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)CSC)c1ccc(Cl)cc1 811950072 UZXBGFXIFOAJBT-CYBMUJFWSA-N 295.835 3.520 30 20 CHED C[C@@H](CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1CC1 819736686 MZMBQKNRZZDLTM-STQMWFEESA-N 270.376 3.514 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 812004149 OFXCIWIJMFNQNC-ZBFHGGJFSA-N 286.419 3.827 30 20 CHED C=C(C)CN(CC)C(=O)c1occc1-c1ccccc1 481229814 SIFAEYIEVWPIBD-UHFFFAOYSA-N 269.344 3.985 30 20 CHED C=CCCCS(=O)(=O)N(C)c1ccc(C(C)C)cc1 489727826 XCVGFEDCVKRZMA-UHFFFAOYSA-N 281.421 3.542 30 20 CHED C=CCOc1ccc(-c2nnc(SCSC)o2)cc1 814753948 AHTUTPZYOSFAFW-UHFFFAOYSA-N 294.401 3.714 30 20 CHED CC(C)C[C@@H](Nc1cc(C#N)ncn1)c1ccccc1 573052404 WJBPDUUXNVSLBK-OAHLLOKOSA-N 266.348 3.548 30 20 CHED C#C[C@H](NC(=O)Cc1coc2cc(C)c(C)cc12)C(C)(C)C 813776520 YJQXZTRDCQOYEF-KRWDZBQOSA-N 297.398 3.756 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1cc(C#N)ccc1[N+](=O)[O-] 578410842 NKRQERIVZFRXLJ-HNNXBMFYSA-N 293.326 3.874 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(F)c(C)c1 485918583 PQTYGYDYEWDSKT-UHFFFAOYSA-N 285.318 3.951 30 20 CHED CCCC(=NN[C@@H](C)COc1ccccc1)c1ccccn1 814935942 UAHJYKNGRZJLMI-HNNXBMFYSA-N 297.402 3.643 30 20 CHED CC(C)(C)c1cnc(C=NNc2ccc(Cl)nc2)s1 814859683 ZZFWGGXBAAADQC-UHFFFAOYSA-N 294.811 3.935 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1CCCc2ccc(OC)cc21 653784487 STLFPNHSMHJFED-HOCLYGCPSA-N 287.403 3.586 30 20 CHED CCOc1ccc(NN=Cc2sccc2OC)cc1 814985419 FWXWAUKIHZJCRC-UHFFFAOYSA-N 276.361 3.601 30 20 CHED C=CC[C@@H]1CCCN([C@H](C(=O)O)c2cccc(Cl)c2)C1 656759348 DDNZITGXFGPRNP-DOMZBBRYSA-N 293.794 3.754 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](CC)c1ccc(OC)cc1 488578023 MROXOOPPAHXCIE-INIZCTEOSA-N 298.386 3.564 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCCC(C)(C)C)cc1 728712040 UBHPYWQZHBMMRN-ZDUSSCGKSA-N 260.381 3.503 30 20 CHED N#CCCCCN(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 726597358 IVLOOKCAEMKGBH-JYJNAYRXSA-N 260.425 3.971 30 20 CHED C=C1CCN(Cc2cc(Cl)c(C)cc2O)CC1 824719544 GCMSYFZPYYMLRQ-UHFFFAOYSA-N 251.757 3.506 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1nccnc1-c1ccccc1 663869795 DEONAQIHNIPVAP-DOTOQJQBSA-N 295.386 3.537 30 20 CHED N#CCn1c(C(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)cc2ccccc21 729649514 VTEHVGPOPOVNBT-RVSPLBMKSA-N 294.354 3.510 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ncc(C2CCOCC2)s1 821333501 KZCSLXSJTJZPSJ-LLVKDONJSA-N 294.420 3.578 30 20 CHED N#C[C@@H](C(=O)/C=C\c1ccccc1)c1cnc2ccccc2n1 588587839 WAAGTQCVTVFLNL-JQPIKURYSA-N 299.333 3.519 30 20 CHED C=CCCOC(=O)c1ccnc(Oc2ccccc2)c1 729074387 XIKYABAMMRAHOO-UHFFFAOYSA-N 269.300 3.607 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1F 589799311 PRWIDAPHHGZKMM-CYBMUJFWSA-N 294.329 3.756 30 20 CHED N#C[C@H]1CC[C@H](Sc2nnc(-c3ccccc3)s2)C1 829159318 PVYUGMAOFRBDSL-JQWIXIFHSA-N 287.413 3.989 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@H]2CC2CCCCC2)n1 589358462 VSQLVUPRHLEENF-INIZCTEOSA-N 297.402 3.528 30 20 CHED C=CCC[C@H](C(=O)Nc1ccc(C)nc1O)c1ccccc1 490201267 KNXJNFAHNGELHZ-HNNXBMFYSA-N 296.370 3.784 30 20 CHED CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1cccc(C#N)c1 902889330 HHNQLZQWJDQUKB-DOMZBBRYSA-N 297.406 3.602 30 20 CHED Cc1ncc2c(n1)CCC[C@H]2Nc1cccc(Cl)c1C#N 827635713 MIQLWHZQDMFASP-MRXNPFEDSA-N 298.777 3.800 30 20 CHED C[C@H](CCc1cccc(F)c1)NCc1ccc(C#N)cc1 734510086 QEIHCERBIKPLOZ-CQSZACIVSA-N 282.362 3.808 30 20 CHED CC(=NNc1cnnc2ccccc12)c1sccc1C 733748455 YNGYPBYBIPZRAF-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2cc3cc(C)ccc3o2)no1 583853985 IBUBERBOOSDZLL-OLZOCXBDSA-N 296.326 3.850 30 20 CHED C#CC(C)(C)NC(=O)CCCc1ccc(Cl)c(Cl)c1 733883479 JNDLPSSYTAMFML-UHFFFAOYSA-N 298.213 3.844 30 20 CHED CC[C@@H](NCCc1scnc1C)c1cccc(C#N)c1 903009277 YQGLOIYTUBWFKQ-OAHLLOKOSA-N 285.416 3.607 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)c1cccc(C2CC2)c1 582827230 YRMWZWSJQIRKRR-NSHDSACASA-N 296.395 3.988 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)Cc2cc(F)ccc21 734305244 NPJOXAIBESCTFB-NTMALXAHSA-N 274.241 3.926 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccc(C)c(F)c1 730592532 LSQULPFWNMLHPB-UHFFFAOYSA-N 266.385 3.729 30 20 CHED C=CC[C@H](NC(=O)c1sccc1CC)c1ccncc1 734460010 MJUIKVXHIZHKRY-AWEZNQCLSA-N 286.400 3.753 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(F)cc1C(=O)O 736108951 XLXKEIKIWADXQW-UHFFFAOYSA-N 299.345 3.712 30 20 CHED Brc1cccc(NN=C2CCCCCC2)n1 835024178 CZPLRQLJCRMWIC-UHFFFAOYSA-N 282.185 3.966 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)C#CC3CC3)c2)o1 837590622 QWNPTMUJKUBLHK-UHFFFAOYSA-N 279.339 3.915 30 20 CHED CC(C)C(C)(C)CN[C@@H]1CCc2ccc(C#N)cc21 584083376 NVDJZNXPKLRCFY-MRXNPFEDSA-N 256.393 3.817 30 20 CHED COCC#CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 677818467 OWTMHKQHKSVWOY-HNNXBMFYSA-N 298.213 3.780 30 20 CHED N#Cc1c(F)cccc1Nc1ccc(NC(=O)O)cc1 738424995 ISOJRGKXMLQLNY-UHFFFAOYSA-N 271.251 3.531 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](C1CC1)C(F)(F)F 588325455 WHVOSMVNLXTNCQ-LSDHHAIUSA-N 294.320 3.866 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC[C@@H](C#N)CCC#N 581483471 OWLWAGLQVVAQCI-UKRRQHHQSA-N 285.391 3.635 30 20 CHED CC(C)CO[C@H]1CC(=NNc2ncccc2Cl)C1(C)C 737430284 OKVAYPDNKTYXJB-ZDUSSCGKSA-N 295.814 3.974 30 20 CHED C=CCCC[C@H](C)OC(=O)[C@@H]1CC12CCSCC2 835271127 ZAJKXSMVSISGGF-STQMWFEESA-N 268.422 3.808 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H](C)Sc1ccc(OC)cc1 839036864 YAKDLFJIUZVIFR-STQMWFEESA-N 292.400 3.521 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@](C)(OC)C1CC1 839834765 JQQXZFRDZUTYKS-CJNGLKHVSA-N 269.429 3.667 30 20 CHED CN(c1nc(C#N)c(Cl)s1)[C@@H]1CCc2ccccc21 590570483 WHSXZJJRIOVFFO-GFCCVEGCSA-N 289.791 3.792 30 20 CHED COc1ccc(O)c(C=Nc2ccc(C)c(OC)c2C)c1 914702086 WFZYBEHLSVCBHD-UHFFFAOYSA-N 285.343 3.777 30 20 CHED C=CCCCC(=O)OCc1nc2cc(Cl)ccc2n1C 748234294 PYYKTRFLMIIZOC-UHFFFAOYSA-N 292.766 3.626 30 20 CHED Cc1cc(C)cc(OCCON=Cc2cccs2)c1 914571890 PMBZJKPSXIUMDP-UHFFFAOYSA-N 275.373 3.794 30 20 CHED CCCC[C@H](C(=O)NCc1ccc(C#N)c(F)c1)C(C)C 598740252 PLNGDARIKPZWTD-HNNXBMFYSA-N 290.382 3.776 30 20 CHED C=C[C@H](CC(=O)OCCc1cccc(C)n1)c1ccccc1 842841981 SRNPVUHONHRQIJ-MRXNPFEDSA-N 295.382 3.836 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@H](C)[C@H]1C)c1ccncc1 745826151 QVHHTCKHGBWTQW-LZWOXQAQSA-N 287.407 3.529 30 20 CHED N#CCCCCSc1ccc(-c2ccco2)nn1 593442319 SAQGSBQOQBQWIU-UHFFFAOYSA-N 259.334 3.523 30 20 CHED N#Cc1cccc(Cl)c1N1CCCC(F)(F)CC1 599133747 LRYLSOUWURMSEG-UHFFFAOYSA-N 270.710 3.837 30 20 CHED CCCCCCO[C@@H](C)C(=O)Nc1sccc1C#N 841006673 HJXXLMFTOKAVSL-NSHDSACASA-N 280.393 3.544 30 20 CHED C=CC[C@@H](NCc1cccc2c1CCC2)c1ccncc1 845942119 QKUWCKYMNVEZAM-LJQANCHMSA-N 278.399 3.977 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C[C@@H](O)CC(C)(C)C#N 598592802 NHGHMSRGCDEUCZ-IRXDYDNUSA-N 288.435 3.616 30 20 CHED CC(=NNc1nncc2ccccc12)c1c(F)cccc1F 915909993 YJNIJNDIHWISID-UHFFFAOYSA-N 298.296 3.744 30 20 CHED C=C(Cl)CN(CCc1ccc(C)cc1)C[C@H]1CCCO1 743863689 VGQBMDSNAFSINS-QGZVFWFLSA-N 293.838 3.771 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 593648219 VFFGQSKPDDAIOU-USZNOCQGSA-N 289.404 3.535 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(OCCC(C)C)cc1 746034991 MIOUCBCAZVRIGU-UHFFFAOYSA-N 296.798 3.986 30 20 CHED C=CCC[C@@H](NCc1cc(C)nc(C)n1)c1ccccc1 671302826 BFQBFLNIKHIGCK-GOSISDBHSA-N 281.403 3.891 30 20 CHED CCO[C@H]1CC(=NNc2ccc(Cl)nn2)C1(CC)CC 748244507 NEEXGNBWLKQCDU-NSHDSACASA-N 296.802 3.513 30 20 CHED Cc1ccsc1C=NNc1nc2cc(F)c(F)cc2[nH]1 912825427 ZNOUIVJPINWBKH-UHFFFAOYSA-N 292.314 3.657 30 20 CHED Cc1ccc(C#N)nc1N1C[C@H](c2ccccc2)C[C@H]1C 596130250 ZGQNTEMDOAAVAI-GDBMZVCRSA-N 277.371 3.644 30 20 CHED C=CCCSCCNC(=O)CCCC(C)(C)C 597971018 BNCHMSXSMPLLNU-UHFFFAOYSA-N 257.443 3.628 30 20 CHED C#CCN(C(=O)NC1CCCCC1)[C@H]1CCc2ccccc21 917032672 OHLBNYQOBSRKEB-SFHVURJKSA-N 296.414 3.651 30 20 CHED CCCCC1CCC(C(=O)N(C)[C@@H](C#N)CC)CC1 594100995 PGFDAADWMLFEJT-YMAMQOFZSA-N 264.413 3.744 30 20 CHED CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H](C)C#N 598346082 DSBQPZPYRTUOGO-HNNXBMFYSA-N 292.382 3.657 30 20 CHED CC(C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12)=C1CCCC1 846499551 VPTCTINMNWQKOG-UHFFFAOYSA-N 294.358 3.572 30 20 CHED C[C@@H](OC(=O)c1cccnc1Cl)c1cccc(C#N)c1 744102728 YDXPKTHGMLKNBO-SNVBAGLBSA-N 286.718 3.525 30 20 CHED Cn1nnc2cc(/C=C\C(=O)c3cccc(Cl)c3)ccc21 740666601 RTJZRVRZNSYAFU-VURMDHGXSA-N 297.745 3.518 30 20 CHED CC#CCOC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 745487045 MQOMIXSYHFPXSA-LUAWRHEFSA-N 282.261 3.675 30 20 CHED C#CCN(C(=O)NCCc1cccc(C)c1)C1CCCCC1 749189395 ADOAALVXXDWTEC-UHFFFAOYSA-N 298.430 3.515 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)[C@H]1c1ccncc1 596593848 SUXLUIGXDRYWDH-KRWDZBQOSA-N 295.361 3.675 30 20 CHED C#CC[C@@H](OC(=O)c1cc(Cl)nc(C2CC2)c1)C1CC1 847657675 FWJGIKYKFWVLQQ-CQSZACIVSA-N 289.762 3.571 30 20 CHED CCCCN(C(=O)c1cccc(C#N)n1)[C@H]1CCC[C@@H](C)C1 590518080 QLCHLZFHZSXGJJ-ZBFHGGJFSA-N 299.418 3.774 30 20 CHED N#Cc1nc(Sc2cccs2)sc1Cl 590574891 QZTDJEXBQWETQN-UHFFFAOYSA-N 258.780 3.881 30 20 CHED N#CCCCCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 840667273 UCVDGPANIYMXFR-UONOGXRCSA-N 277.751 3.681 30 20 CHED N#Cc1ccc(C=NNc2ncc(Cl)cc2Cl)s1 748780633 MNOZIXIAEOLETE-UHFFFAOYSA-N 297.170 3.768 30 20 CHED COCCOc1ccc(-c2ccc([C@@H](C#N)OC)cc2)cc1 844231766 WAECYICUTOROTC-GOSISDBHSA-N 297.354 3.590 30 20 CHED N#CCC1(COC(=O)c2cc3ccc(F)cc3s2)CC1 744275515 LXQIEJQVWGCBEO-UHFFFAOYSA-N 289.331 3.891 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccnn1CC1CC1 849244207 VUKUNUCVRYDJCH-VURMDHGXSA-N 296.370 3.506 30 20 CHED Cc1ccc(C#N)nc1NCc1ccc([C@H]2C[C@H]2C)o1 596089138 XMHDSZVELQZHBT-RISCZKNCSA-N 267.332 3.590 30 20 CHED CC1(C)CCCC[C@H]1C(=O)Oc1cccc(OCC#N)c1 841343821 JDJPJRXLKQTNRE-HNNXBMFYSA-N 287.359 3.711 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H]1CCc2ccccc21 684939700 UUTUFNDNDPVMOK-LSDHHAIUSA-N 257.377 3.577 30 20 CHED CCC/C(C)=C/C(=O)N[C@H]1CCCc2cc(C#N)ccc21 841370030 KXWIMDLRVCQYEF-RTGRKSDTSA-N 282.387 3.798 30 20 CHED COc1cc(C)c(/C=C/C(=O)c2ccccc2O)cc1OC 757475342 RTCKDMTYNHZCCQ-CMDGGOBGSA-N 298.338 3.614 30 20 CHED COc1cccc(NN=Cc2ccc(F)c3cccnc23)c1 759197895 WZWCOWBREWMCCN-UHFFFAOYSA-N 295.317 3.829 30 20 CHED Cc1cccc(C(=O)Oc2ccc(C#N)cc2F)c1Cl 755143062 NKAVXBZNGMUJMN-UHFFFAOYSA-N 289.693 3.878 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1 757473616 ZVSMJJZPXVJKMM-RMKNXTFCSA-N 298.338 3.783 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccccc1O[C@@H](C)C#N 926118111 YLLDZIUGFBCLLO-STQMWFEESA-N 271.364 3.718 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc(C)c(C)c1)OCC 758528250 NZWGXCWWUJEKQK-INIZCTEOSA-N 276.376 3.718 30 20 CHED C[C@@H](NN=Cc1cn2cc(Cl)ccc2n1)c1ccccc1 920382767 OCIKXVMJVUCHOA-GFCCVEGCSA-N 298.777 3.672 30 20 CHED Cc1cccc(CC(=O)OCc2ccccc2C#N)c1Cl 753597875 LDLRNLKHCNNXCF-UHFFFAOYSA-N 299.757 3.806 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 753242985 JZEWQMURCSMZEO-LSDHHAIUSA-N 290.794 3.598 30 20 CHED C=C[C@H](CC(=O)OCC[C@@H]1CCCC1=O)c1ccccc1 758922411 YKMDPGMFGOUUHT-ZBFHGGJFSA-N 286.371 3.649 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1ccc(Cl)cc1 759349756 SWPKOOOUKIRFSW-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CC(=NNC1CC1)[C@H](C)c1nc2ccccc2s1 758134020 VIEAEVQGNFEXBC-VIFPVBQESA-N 259.378 3.528 30 20 CHED CC(C)N(CCCCC1(C#N)CCC1)CC(F)F 929854283 MIWVMAAXKMOUDO-UHFFFAOYSA-N 258.356 3.826 30 20 CHED C=C[C@@H](CC(=O)OCc1c(C)noc1C)c1ccccc1 758913418 RRYCRJBSGUPJLG-AWEZNQCLSA-N 285.343 3.695 30 20 CHED FC(F)CON=C1CCC[C@@H]1Cc1ccccc1 758903540 HKCOOAQNKJHJAE-GFCCVEGCSA-N 253.292 3.667 30 20 CHED Clc1ccccc1CNN=C/C=C/c1ccco1 920373746 OIUORDGIMDCGKF-GLNLCZHCSA-N 260.724 3.722 30 20 CHED Oc1ccccc1/C=N\[C@H]1COc2c(Cl)cccc21 757525132 CZFWTOYBMHUNLK-KCXFFNSDSA-N 273.719 3.598 30 20 CHED C#CC[C@H](NC(=O)/C=C\c1cccs1)c1ccccc1 757576777 FEIUJDXMDUAZSD-JNSOCZORSA-N 281.380 3.642 30 20 CHED C#C[C@@H](CC)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 754379107 HKCGRXNFDBRWNW-RISCZKNCSA-N 297.320 3.727 30 20 CHED Cc1cc(C=NO[C@@H]2CCCCO2)c(C)n1CC(C)C 755823757 ZVGNAQJRKXETDP-MRXNPFEDSA-N 278.396 3.638 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 758306908 FOMNCTUDCQCCJH-UHFFFAOYSA-N 298.317 3.755 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cnc(C(C)(C)C)s1 851210959 WRRVFGCRWTYZOS-SNVBAGLBSA-N 294.420 3.926 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2c1cc(C(F)(F)F)cnc1C#N 853965195 VAHCNECRBOBPPW-CLYYMRHHSA-N 295.308 3.739 30 20 CHED CC[C@@H]1CCCC1=NNC(=S)Nc1ccccc1F 758362197 QOJJYVPJMBJVMH-SNVBAGLBSA-N 279.384 3.678 30 20 CHED CC[C@@H](C)C=NNc1nc(-c2ccc(Cl)cc2)no1 755722994 TWCLPTUIPFOXOD-SECBINFHSA-N 278.743 3.834 30 20 CHED CCC[C@H]1CCCN(C(=O)c2cc(C#N)ccc2C)C1 934558618 QAUBDLYLSCVNOI-AWEZNQCLSA-N 270.376 3.519 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(O)c(Cl)c1 766771906 LWCCIXOOOYXXOY-HWKANZROSA-N 287.746 3.899 30 20 CHED C[C@@H]1CC[C@@H](CCC(=O)OCCCCC(C)(C)C#N)O1 768751005 IWSKCFGKZBWGTD-KGLIPLIRSA-N 281.396 3.597 30 20 CHED C[C@H]1CC(C)(C)C[C@@H]1NCc1cc(C#N)ccc1F 766213050 CKTPAOUIGDAMFS-NHYWBVRUSA-N 260.356 3.612 30 20 CHED C[C@@H]1CN(C(=O)Nc2sccc2C#N)[C@H]2CCCC[C@@H]12 931837155 FAXKSOCZNXDRJJ-WXHSDQCUSA-N 289.404 3.662 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(-c2ccon2)cc1 933720903 RLKOGPHPTFLWEG-HNNXBMFYSA-N 297.358 3.914 30 20 CHED N#CCC1(COC(=O)c2cccc3ccsc23)CC1 767991326 SXFAIGZREGCPBY-UHFFFAOYSA-N 271.341 3.752 30 20 CHED FC(F)(F)C1CCC(=NO[C@H]2CCCCO2)CC1 766024737 IEAIOFPBUOGLID-UMJHXOGRSA-N 265.275 3.638 30 20 CHED Cc1cc(OC(=O)c2cccc(Cl)c2F)ccc1C#N 765093137 FYKHHSRSWBNQHG-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C#C[C@@H](C)N(C)Cc1cc2oc3ccccc3c2cc1O 766665015 BYDGXTQSCLNBBU-GFCCVEGCSA-N 279.339 3.745 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C/c1ccccc1C(F)(F)F 865081626 KCIOMNZIAONDCZ-BCPZQOPPSA-N 296.292 3.527 30 20 CHED CCC(=NNc1ncnc2ccsc12)c1ccc(O)cc1 764840861 MCQZRVLYFCFZBU-UHFFFAOYSA-N 298.371 3.623 30 20 CHED CCCCCCCn1cc(CNC(=O)OC(C)(C)C)cn1 1116290212 CRLOIDINLHFZAR-UHFFFAOYSA-N 295.427 3.878 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Cc2ccccc2CC#N)s1 776842321 XGKZNIBPDVHNDZ-CYBMUJFWSA-N 298.411 3.543 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCC#N)cc1 1117820082 YDJWYECAZIBZAL-BBRMVZONSA-N 286.375 3.744 30 20 CHED C=C(CC)COc1ccc([C@](C)(O)C(F)(F)F)cc1 773178290 YYLDXZAPZQFAAM-ZDUSSCGKSA-N 274.282 3.801 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@](CC)(CO)C1 779649927 CPEMABUMKTXDAS-QGZVFWFLSA-N 298.471 3.541 30 20 CHED COC(=O)c1cccc(NN=C(C)CSC(C)(C)C)c1 779826125 FPTTVEKKEXXNLS-UHFFFAOYSA-N 294.420 3.793 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1ccc(Cl)cn1 774372354 DCGVBYHEXCPQPR-UHFFFAOYSA-N 295.720 3.527 30 20 CHED N#Cc1ccc(SCCSc2ccc(F)cc2)nc1 776282897 KJIWSPDQLWQKSD-UHFFFAOYSA-N 290.388 3.977 30 20 CHED N#C[C@H](OC(=O)c1cccc2cc[nH]c12)C1CCCCC1 776390125 DCDMRQLDTMGFBV-HNNXBMFYSA-N 282.343 3.797 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(C(=O)O)c2)c(C)s1 774118093 ZMKLQDFSVFIEIA-SREVYHEPSA-N 286.352 3.959 30 20 CHED C=CCC[C@@H](C(=O)OCc1cc(C)nn1C)c1ccccc1 777766344 GNTOOVNETLVPEQ-QGZVFWFLSA-N 298.386 3.522 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2cscn2)c1 776193367 QVOLKTHZWTUXJD-SREVYHEPSA-N 273.357 3.826 30 20 CHED N#Cc1ccc(SCCCOC(F)(F)F)cc1 882107134 AFNFSHPNGVUMBZ-UHFFFAOYSA-N 261.268 3.577 30 20 CHED CS[C@@H]1CC[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 776741947 YMGAWYYUVZKXNP-LERXQTSPSA-N 278.396 3.632 30 20 CHED C#CC[C@@H](NC(=O)c1csc(Cl)c1)c1ccccc1 786201208 HFJCYBDPPIATQB-CYBMUJFWSA-N 289.787 3.896 30 20 CHED CCCC[C@@H](CC)CNC(=S)N1CCC[C@](C)(C#N)C1 783774536 XRRZEGQXXDTCNZ-GDBMZVCRSA-N 295.496 3.703 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)CCCc1cccnc1 880267032 DCCFUTOWTWSIRG-AWEZNQCLSA-N 274.408 3.511 30 20 CHED CC1(C)CC[C@@H](C(=O)OCc2cc(F)ccc2C#N)C1 781695540 COAILLNLBRBXST-LLVKDONJSA-N 275.323 3.567 30 20 CHED C[C@H](OC(=O)c1nc(Cl)cs1)c1cccc(C#N)c1 789223967 OKVCYMRJOZMRMI-QMMMGPOBSA-N 292.747 3.586 30 20 CHED C#CCCCCC(=O)OCc1sccc1Cl 785912774 BZJWFOKSJDCFTQ-UHFFFAOYSA-N 256.754 3.638 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1nc2ccccc2s1 786120513 NQEDQOCBLXKUBB-NSHDSACASA-N 289.404 3.575 30 20 CHED CC(=NOCC(F)F)c1cc(Br)cs1 782272859 XFYTZRNWUGTIIC-UHFFFAOYSA-N 284.125 3.516 30 20 CHED CCC(=NNc1cc(Cl)cc(Cl)c1)c1cn[nH]c1 789054256 HJMUNKONTWYQND-UHFFFAOYSA-N 283.162 3.943 30 20 CHED C=C1CC(c2noc([C@H]3CCCC(F)(F)C3)n2)C1 896876865 BUDVVCJVLWBERT-VIFPVBQESA-N 254.280 3.796 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)C1 896503267 MDAJAPVCYXTZGP-SNVBAGLBSA-N 286.272 3.580 30 20 CHED C=CCCN(C)Cn1ccc(=S)c2ccccc21 786102412 XKFNIIDHMSQQJT-UHFFFAOYSA-N 258.390 3.836 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C(/C)c1ccccc1OC 785858310 ZYYGZZDLHKXHJW-PLFFATQSSA-N 285.387 3.666 30 20 CHED C#CC[C@@H](N[C@H](C)c1ccccc1O)c1ccccc1 783525191 LOTQICUBKWIELG-RHSMWYFYSA-N 265.356 3.807 30 20 CHED C#C[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(C)C 700590273 ZOGHOXYCDOPKFW-LLVKDONJSA-N 291.803 3.942 30 20 CHED C#C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCC1)C(C)C 700599990 ITAMLHNNWAYVIP-OAHLLOKOSA-N 289.806 3.536 30 20 CHED C[C@@H]1CCN(Cc2ccc(CC#N)cc2)CC1(C)C 545417874 BLTPMYDKQJJTPA-CQSZACIVSA-N 256.393 3.621 30 20 CHED Cc1nsc(N(C)C(=O)[C@H]2CCCC(C)(C)C2)c1C#N 891431052 WVBPLESNWAHGTP-NSHDSACASA-N 291.420 3.502 30 20 CHED C=CCCC(=O)Oc1c(Br)ccc(C)c1F 791968710 NPLKUMOGVZMCAQ-UHFFFAOYSA-N 287.128 3.768 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCCCC2(C)C)cc1C#N 799348684 KCAOPDMISOYHEG-OAHLLOKOSA-N 270.376 3.565 30 20 CHED CC(C)C[C@@H]1CCCC(=NNCCOCC(F)(F)F)C1 794526917 YQSZTNBLHHZUQQ-LBPRGKRZSA-N 294.361 3.747 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 792952792 TTZLWPGHZFKLPT-OCCSQVGLSA-N 296.773 3.514 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(C#N)c1 799296185 CIGTTXYJLDYMLQ-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C=CCNN=C(C)[C@@H](C)c1nc2ccccc2s1 794992809 ISSRNJPYFIKQES-SNVBAGLBSA-N 259.378 3.551 30 20 CHED CC[C@@H](C)NN=C(C)c1cc(Cl)c(N)c(Cl)c1 790182835 LXVPKCSZAFTNAP-SSDOTTSWSA-N 274.195 3.688 30 20 CHED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1cccnc1 795982136 QLKCQQLYLVUPMY-ZBFHGGJFSA-N 294.354 3.773 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(F)ccc(O)c2F)s1 794938190 LQCRIBQEEIYWAD-HWKANZROSA-N 280.295 3.936 30 20 CHED Cc1cc(C(=O)OCC2(CC#N)CC2)c(C)cc1Cl 796735353 ZZVDMJPUOGJSGL-UHFFFAOYSA-N 277.751 3.808 30 20 CHED COC(=O)c1cc(NN=C(C)c2ccsc2)ccc1C 793097445 IAFJLMYLBRVYDE-UHFFFAOYSA-N 288.372 3.679 30 20 CHED N#Cc1ccc(CCN2CCC[C@@H]3CCCC[C@@H]32)cc1 1208926248 MJAKZBBETDOPID-ROUUACIJSA-N 268.404 3.755 30 20 CHED Cc1ccc(F)c([C@H](C)OC(=O)c2cc(C#N)oc2C)c1 797955049 CEIDHFOJGJWDPT-JTQLQIEISA-N 287.290 3.825 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)[C@H]2CCC(C)(C)C2)cc1 793353367 SDKRBJBNECHSEL-ZBFHGGJFSA-N 286.419 3.988 30 20 CHED CC(C)O[C@H](CSCCO[C@@H](C)C#N)c1ccccc1 793965437 KCCILNWFROAEHT-GOEBONIOSA-N 293.432 3.815 30 20 CHED C[C@@H](NN=Cc1ccc(OC(F)F)cc1)C(C)(C)C 793116539 UCHKFQUWJHOJET-SNVBAGLBSA-N 270.323 3.646 30 20 CHED CCCCCCCCON=C(C)c1cnn(C)c1 790497862 HJUCIYDMTUIOPV-UHFFFAOYSA-N 251.374 3.521 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCCC2(C1)OCCO2 715604450 VJZIEWXEAVLFCV-OAHLLOKOSA-N 297.439 3.539 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NC12CCC(CC1)C2 784207434 ZNWMLLOHVGFGHR-UHFFFAOYSA-N 281.281 3.717 30 20 CHED N#CCC1(CN2CCC[C@@H](Cc3ccccc3)C2)CC1 1167332190 HTQSSLOADSRPLD-KRWDZBQOSA-N 268.404 3.635 30 20 CHED Cc1ccc(CCNC(=O)Nc2sccc2C#N)cc1C 1310956791 QDWDTKGBVPVTPJ-UHFFFAOYSA-N 299.399 3.601 30 20 CHED CCCCC1CCC(Nc2cncc(C#N)n2)CC1 1160623639 TZIVZTAEMWONBB-UHFFFAOYSA-N 258.369 3.509 30 20 CHED CCCCCC1=CCCC1=NNC(=S)NC(C)C 1317699592 WEMLYCCIVYZSOP-UHFFFAOYSA-N 267.442 3.515 30 20 CHED Cc1ccc(N(C)C(=O)c2cccc(C#N)c2C)c(C)c1 1322675335 FSAZDRJBLDUFST-UHFFFAOYSA-N 278.355 3.760 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1327858358 KZUGWAKYRXZXIY-QBYUYEEZSA-N 278.440 3.751 30 20 CHED CC(C)c1ccc(C2(C(=O)NCCCC#N)CCC2)cc1 1320087012 VECPRHBWEKUHHH-UHFFFAOYSA-N 284.403 3.652 30 20 CHED CC(C)N(CCC1CCC1)Cc1ccc(C#N)cc1 1644454035 XAJMCWKWBMKMPA-UHFFFAOYSA-N 256.393 3.959 30 20 CHED COc1cc(/C=C\c2cc(C#N)ccn2)ccc1SC 1321003522 KTCMIWKILHQSRB-HYXAFXHYSA-N 282.368 3.854 30 20 CHED Cc1cc(SCc2cn3ccccc3n2)ccc1C#N 1189581903 CWLGKVWDPWDKNY-UHFFFAOYSA-N 279.368 3.807 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OCC)c(F)c1 1337743530 MATMXABBZPDPLK-UHFFFAOYSA-N 251.301 3.519 30 20 CHED Cc1cnc([C@@H](N[C@H](C)CC(C)(C)C#N)C2CC2)s1 1336660836 ZPPKZXUKURZXCA-MFKMUULPSA-N 277.437 3.821 30 20 CHED COc1cccc(NN=Cc2ccc(N3CCCC3)cc2)c1 1338914991 DTWVBAPXFSNMOB-UHFFFAOYSA-N 295.386 3.741 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1ccc(F)cc1 1336759672 NXVUUIPSDNEXLJ-INIZCTEOSA-N 275.367 3.716 30 20 CHED C=C(C)CCC(=O)NC[C@H](OC)c1ccc(Cl)cc1 1335799590 IBBKJBCLQXBOGI-AWEZNQCLSA-N 281.783 3.500 30 20 CHED C=C[C@@H](COC)NC(=O)Nc1ccc(CCC(C)C)cc1 1342734140 SFSOOOFVIRANOF-HNNXBMFYSA-N 290.407 3.598 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)nc1 1262654891 VPPDGFPYYQNELQ-GFCCVEGCSA-N 298.308 3.671 30 20 CHED Cc1cc([C@H](C)N[C@H](C#N)c2ccccc2)c(C)o1 1350372008 WXKFJCJCHNPQQS-BLLLJJGKSA-N 254.333 3.812 30 20 CHED CCC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C#N 213415084 VLCHPDGKXVXGNI-ZDUSSCGKSA-N 273.336 3.625 30 20 CHED C=CCN(Cc1ccc(Br)cc1C#N)C(C)C 805733001 OUCDXKAGGKVTNK-UHFFFAOYSA-N 293.208 3.717 30 20 CHED N#CC[C@@H](C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1519829635 SPOIIJPTRQACFS-DZJNRPSUSA-N 296.414 3.626 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCCc2ccc(C#N)cc2)C1 1461626616 CZEVIHKQIUBJQC-QZTJIDSGSA-N 270.420 3.905 30 20 CHED Cc1ccccc1[C@@H](Sc1ccc(C#N)cc1)C(=O)O 1600573185 IBOXWQKIJPXKNH-OAHLLOKOSA-N 283.352 3.785 30 20 CHED CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(CC)[C@H](C#N)CC 1538757673 RZXYFZYPBLFROU-QXSJWSMHSA-N 294.439 3.511 30 20 CHED CC1(C)C[C@]1(CNc1ncccc1C#N)c1ccccc1 1612640149 JIYVYXDJRWUKIA-SFHVURJKSA-N 277.371 3.733 30 20 CHED CCCC(CCC)C(=O)Nc1cc(OC)c(C#N)cc1F 1543063972 LOYPIZPCGLRGPQ-UHFFFAOYSA-N 292.354 3.861 30 20 CHED CC[C@H](C)CCNc1ncc(C#N)cc1Br 1559231716 FAYKUYHCDWGGHK-VIFPVBQESA-N 282.185 3.564 30 20 CHED COc1cccc2c(CN3CCC[C@H](CC#N)C3)cccc12 1560927767 AUVODQVHJGBEPH-OAHLLOKOSA-N 294.398 3.974 30 20 CHED C[C@@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC1(C)C 1633668237 XHMUTGMWGLANOC-GDBMZVCRSA-N 284.403 3.578 30 20 CHED C=C(Cl)CNC(=O)c1c(Cl)cccc1C(F)(F)F 1565817250 IZXSIKLWWPRGIW-UHFFFAOYSA-N 298.091 3.841 30 20 CHED COc1cccc2c(CN3CCC[C@@H](CC#N)C3)cccc12 1560927766 AUVODQVHJGBEPH-HNNXBMFYSA-N 294.398 3.974 30 20 CHED CCc1nc(C#N)cc(N2CC3(CCCCC3)[C@@H]2C(C)C)n1 1640008893 GJIWJNMBOHYOSB-KRWDZBQOSA-N 298.434 3.706 30 20 CHED Cc1nc2cc(Nc3cc(C)c(C#N)cn3)ccc2s1 1655880947 CKOSZPOWSHGTED-UHFFFAOYSA-N 280.356 3.923 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C 1658537991 QVEADKSGAMJSFV-RVKKMQEKSA-N 270.420 3.905 30 20 CHED Cc1ccc(CN(c2ncc(C#N)cc2F)C2CC2)cc1C 1651556732 ANPUZNYLHDOERN-UHFFFAOYSA-N 295.361 3.878 30 20 CHED CN(C(=O)c1ccc(Cl)c(F)c1)c1ccccc1C#N 231633157 SSXDVFMAFZTHTF-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C[C@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)CC1 1776063892 NXZZIKWFIPEGQR-JTQLQIEISA-N 278.327 3.892 30 20 CHED CCC(CC)CC=NNc1ccc(F)c(C(=O)O)c1 1776062385 RRICDNHKRJTLFD-UHFFFAOYSA-N 266.316 3.748 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1cccc2ccccc12 161231718 RQSIDELPYGPCIF-CYBMUJFWSA-N 268.360 3.776 30 20 CHED C=CCN(C)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 161545004 LKSUBAOIBXRFAU-NSHDSACASA-N 285.309 3.843 30 20 CHED N#CCC[C@H](NC(=O)NCc1ccccc1)c1ccccc1 158973737 OSMNBNKSXXLMSP-KRWDZBQOSA-N 293.370 3.531 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)cc(Cl)c1 156074583 CLRHSPIDJDEHOG-UHFFFAOYSA-N 259.136 3.643 30 20 CHED Oc1ccc2ccccc2c1/C=N/[C@@H]1CCO[C@H](C2CC2)C1 154223388 MIYOPCPGLSQXPJ-PNZWGNKRSA-N 295.382 3.922 30 20 CHED CC(C)(C#N)CCN(Cc1ccco1)Cc1ccco1 157459981 QJZKZLRMUMNHCI-UHFFFAOYSA-N 272.348 3.815 30 20 CHED CCSc1ccc(-c2noc(CSCC#N)n2)cc1 233862069 GFYMSESHOYQLKN-UHFFFAOYSA-N 291.401 3.605 30 20 CHED Cc1ccc(CN(C)Cc2cccc(C#N)c2)c(F)c1 1141195169 CRLULZALHQFGSO-UHFFFAOYSA-N 268.335 3.638 30 20 CHED Cc1nc(CNc2ccc(C#N)c(Cl)c2)cs1 37393130 LUCAZPDHDMGCMV-UHFFFAOYSA-N 263.753 3.589 30 20 CHED N#CCOc1ccc(NCc2csc(C3CC3)n2)cc1 1318524939 RVORAHHZUDXXLL-UHFFFAOYSA-N 285.372 3.535 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(O)c1 36991912 BSDDYYPQBSZWQR-OLZOCXBDSA-N 266.344 3.676 30 20 CHED N#C[C@H](NC(=O)c1ccc(Cl)s1)C1CCCCC1 51171940 VPWJNVLCKKGHQW-JTQLQIEISA-N 282.796 3.604 30 20 CHED CC[C@@H]1CCCC[C@H]1CNCc1ccc(C#N)cc1 401734969 FXYXICBLQZBFAT-SJORKVTESA-N 256.393 3.864 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](C#N)C1CCCCC1 402568151 PBFWRXJHCJSXEZ-JQWIXIFHSA-N 290.329 3.554 30 20 CHED Cc1cc(C#N)ccc1OC[C@@H]1CCCC1(F)F 562820091 RYBJAKHRZFXCNY-LBPRGKRZSA-N 251.276 3.681 30 20 CHED CC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC1 332419537 BEXBXZPZMFTVGP-UHFFFAOYSA-N 282.265 3.706 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)CCC 684247994 ATYKQOISOLXBLY-HNNXBMFYSA-N 274.408 3.963 30 20 CHED C=CC(C)(C)CNCc1nc2ccccc2n1CCC 384845763 KANKFYYQPOANQT-UHFFFAOYSA-N 271.408 3.748 30 20 CHED C=CC[C@H](CC)Nc1ccc([N+](=O)[O-])c2cnccc12 393749095 MSRBPCTUCCGYMM-NSHDSACASA-N 271.320 3.910 30 20 CHED Cc1nc(NC[C@H](C)CC(F)(F)F)c(Cl)cc1C#N 396927036 KXBPOJRAAUJIKH-SSDOTTSWSA-N 291.704 3.916 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 398196753 ULBMMHGXNBVCJA-QWHCGFSZSA-N 262.353 3.990 30 20 CHED COc1ccc(CNC2(c3ccccc3)CCC2)cc1C#N 174325198 HABAEICNNJKRIE-UHFFFAOYSA-N 292.382 3.736 30 20 CHED COc1ccccc1C[C@H](C)N(C)Cc1ccc(C#N)cc1 173004385 URNLRZWSOPHEOX-HNNXBMFYSA-N 294.398 3.630 30 20 CHED C=CCC[C@@H](NCc1ccc([C@@H](C)O)cc1)C1CC1 178679166 MFUPJKRJXFELEC-CXAGYDPISA-N 259.393 3.574 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1CCc1ccccc1 116971075 CPAUQMKWXGMRPZ-RDJZCZTQSA-N 286.419 3.758 30 20 CHED CC(C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 110814357 FRYZRXXYLXCNFY-VHSXEESVSA-N 297.185 3.515 30 20 CHED Cc1ccc2cc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)[nH]c2c1 116808709 FUVMPFPNAOVMDX-ACJLOTCBSA-N 295.386 3.679 30 20 CHED O=C(/C=C/c1ccccc1OC1CCCC1)c1cnccn1 115961958 NQAJAKYCLKLMED-MDZDMXLPSA-N 294.354 3.694 30 20 CHED CCc1ccc(-c2noc(C3(C#N)CCCC3)n2)cc1 177730387 QYFRQFYSOZJROH-UHFFFAOYSA-N 267.332 3.634 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 69324266 FLORCDLBUAEEHG-GJZGRUSLSA-N 297.398 3.998 30 20 CHED CC(C)(NCc1cc(C#N)ccc1F)c1cccc(F)c1 179564385 OJPSUVXZMYRAFK-UHFFFAOYSA-N 286.325 3.861 30 20 CHED N#CCCN(Cc1ncc(-c2ccccc2F)o1)CC1CC1 174693788 WSNGBTGSDIJHEJ-UHFFFAOYSA-N 299.349 3.606 30 20 CHED Cc1ccccc1N/C(N)=N/Cc1nc(C(C)C)cs1 177935903 XYOVMJQPBDKNGB-UHFFFAOYSA-N 288.420 3.502 30 20 CHED C=CCCC(=O)Nc1ncc(Cc2ccccc2)s1 171422935 DEJIQCODWVMFIP-UHFFFAOYSA-N 272.373 3.639 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)s1 176406261 PQEBTWSCDUIWCR-BQYQJAHWSA-N 278.336 3.997 30 20 CHED C[C@H]1[C@@H](C)SCCN1CCCCC(C)(C)C#N 300121940 ZHCHUIORZLBLQB-QWHCGFSZSA-N 254.443 3.532 30 20 CHED C#CCCCCNc1cc(C#N)ccc1C(F)(F)F 302257871 BCYDZYQIPDWMSD-UHFFFAOYSA-N 266.266 3.792 30 20 CHED CCCCCCCC(=O)N1CCC[C@H](COCC)C1 113827868 FLUHSCDILLIWHO-HNNXBMFYSA-N 269.429 3.622 30 20 CHED CCOc1cccc(/C=C/C(=O)c2cccc(OC)c2)c1 59269411 GZBYELOSAZRGAL-ZHACJKMWSA-N 282.339 3.990 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 178053705 UKBCLBUAACNUNW-HZPDHXFCSA-N 279.811 3.804 30 20 CHED CC(C)N(C(=O)c1cccc(C#N)c1)C1CCCCC1 119566308 ZSLHDYMTJRFHND-UHFFFAOYSA-N 270.376 3.742 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1c[nH]c2cc(F)ccc12 179783685 VNOHWUHZYWLCOQ-LBPRGKRZSA-N 288.366 3.711 30 20 CHED C=CC1CCN(C(=O)c2ccc3ccccc3c2O)CC1 110364794 KLFMOGFNUMRLOU-UHFFFAOYSA-N 281.355 3.584 30 20 CHED N#Cc1cc(Sc2ccc3c(c2)CCC3)ccn1 61815519 WRLCNUSDDHPNBH-UHFFFAOYSA-N 252.342 3.593 30 20 CHED CCCN/C(N)=N/CCC(c1ccccc1)c1ccccc1 303700720 HTCPZZAJKKMJEX-UHFFFAOYSA-N 295.430 3.523 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@@](C)(O)C(C)C)c2c1 301418920 HCIYRKLXEONTLJ-GOSISDBHSA-N 297.402 3.542 30 20 CHED CCc1oc2ccccc2c1C(=O)O[C@H]1CC[C@H](C#N)C1 179952327 NJKYGSYYTAHIMJ-RYUDHWBXSA-N 283.327 3.844 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1C1CC1 176545120 CQFRWTKBDKETOZ-QWHCGFSZSA-N 295.835 3.962 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)CCC2 301091036 KWYNHTAXCXZRQZ-UHFFFAOYSA-N 293.326 3.567 30 20 CHED CC(C)(C)c1ccc(CCC(=O)NCCCCC#N)cc1 171505650 UEHZKPFLWNPNCM-UHFFFAOYSA-N 286.419 3.727 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H](C)[C@@H](C)CC 302944152 BSOANSZNRLJZEE-JKSUJKDBSA-N 288.435 3.861 30 20 CHED C=CCN(CC=C)C(=O)COc1ccccc1C(C)(C)C 302811756 CZTJVMZZMRWUKY-UHFFFAOYSA-N 287.403 3.564 30 20 CHED C=CCCCC(=O)NC[C@@H]1CCCc2cc(OC)ccc21 184354151 UMFKREDVHIVBST-HNNXBMFYSA-N 287.403 3.588 30 20 CHED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1c(C)noc1C 182080722 JRMZADDBVBWKSP-MEDUHNTESA-N 283.375 3.965 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H](C)C#N 182756835 HDBLONJTCQFXFH-UAGQMJEPSA-N 299.418 3.514 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@@H](C)c1ccccc1 187159762 NIIWYGNWXHLFFA-OAHLLOKOSA-N 293.366 3.831 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCOC2(CCCC2)C1 127054599 ITICKADUZIGYJM-HUUCEWRRSA-N 251.414 3.813 30 20 CHED Cc1cccc([C@H](C)CN[C@H]2CCC[C@H](C#N)C2)c1 185843212 KTBKTVLXCHZBMZ-VYDXJSESSA-N 256.393 3.771 30 20 CHED C=CCN(C(=O)c1cc(C)c(C)o1)c1ccccc1 122893006 AXEKUIZICZSHBT-UHFFFAOYSA-N 255.317 3.729 30 20 CHED CCc1ccc(CCC(=O)N[C@H](C#N)C2CCCCC2)cc1 506516086 NRQASXINNOBXFA-GOSISDBHSA-N 298.430 3.770 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1ccccc1O[C@@H](C)C#N 182090435 KVUDNNYGGZTTBL-LBPRGKRZSA-N 298.317 3.677 30 20 CHED Cc1cccc([C@@H]2CCCCCN2C(=O)NC[C@@H](C)C#N)c1 182760092 UCXWZODOPVULTM-RDJZCZTQSA-N 299.418 3.781 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)[C@@H](C)CC 183551376 HHLNFTSZIBZNKB-LSDHHAIUSA-N 284.403 3.755 30 20 CHED Cc1occc1CN1CC=C(c2ccc(C#N)cc2)CC1 414394951 CAUJOMJFLGBYRD-UHFFFAOYSA-N 278.355 3.749 30 20 CHED Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)c(C)o1 37131493 FEINEPXCLWEDOA-SNVBAGLBSA-N 285.303 3.849 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)CC(F)F 411566651 IMRXFUWQZSHLCX-NSHDSACASA-N 285.309 3.632 30 20 CHED CCCCCOc1ccc(CN(CC)CCC#N)cc1 506453431 SVLVKPQFVXMUNG-UHFFFAOYSA-N 274.408 3.991 30 20 CHED CCc1nnc(NC[C@@H]2CCCC[C@@H]2C)c(C#N)c1CC 124945466 IDGCTAVRITZGPY-STQMWFEESA-N 286.423 3.711 30 20 CHED N#Cc1ccc(SCc2ccon2)cc1C(F)(F)F 181046186 UOKKTRMWUFRELB-UHFFFAOYSA-N 284.262 3.857 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)c1ccncc1 181417195 SNRUVPHOHSDWJQ-UONOGXRCSA-N 275.396 3.529 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1cc(C#N)ccc1OC(C)C 183328493 NRFYEHJJCASNOV-STQMWFEESA-N 288.391 3.966 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 185492966 SCKMPBJNDMCWSH-LBPRGKRZSA-N 292.448 3.811 30 20 CHED Cc1ccc(C)c(CC(=O)Nc2cccc(CC#N)c2)c1 313439457 CAYZULJCRRZVMW-UHFFFAOYSA-N 278.355 3.551 30 20 CHED CC(C)(C)c1csc(NC(=O)c2cccc(CC#N)c2)n1 509238205 SPCRHCGKMNVWIF-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@@H](C)C[C@@H](C)C1 500848105 AVMGOKBTFLPIBN-HUUCEWRRSA-N 287.403 3.760 30 20 CHED C=C(C)[C@H](NCCOC(C)(C)C)c1ccc(F)c(F)c1 187771626 LSRYOYKCSFAKIG-HNNXBMFYSA-N 283.362 3.987 30 20 CHED CCCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 185871159 MURJWLFFNOGJIE-ZFWWWQNUSA-N 258.365 3.970 30 20 CHED C=CCCCCCn1ccnc1C(=O)c1cccs1 506731108 PLIRUTAHTBNYQV-UHFFFAOYSA-N 274.389 3.922 30 20 CHED CC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@H](C#N)C1 185811665 VBNWAMFUTVIBDB-YESZJQIVSA-N 256.393 3.680 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1nc2ccccc2n1C 281543369 ITLXEAPPWSAKED-CHWSQXEVSA-N 257.381 3.579 30 20 CHED C=C(Br)CN[C@H](C)c1ccccc1C 49525982 BIEORJBGZGOMIB-LLVKDONJSA-N 254.171 3.554 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Oc1ccccc1Cl 410140662 BPEUWIYCLOOFSP-RYUDHWBXSA-N 281.783 3.578 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc[nH]c2=S)c1 48927073 RMPDZUNEOPTHRV-UHFFFAOYSA-N 286.356 3.561 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3c2OCCO3)s1 48625238 IYPAWGOBIYAZHB-SREVYHEPSA-N 286.352 3.724 30 20 CHED CC1(C)CCC(C(=O)Nc2cccc(CC#N)c2)CC1 456743398 GAJNWIFXBCFNCL-UHFFFAOYSA-N 270.376 3.908 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](C)c1ccccc1 131652137 FTNPODIXKKDCAO-ZIAGYGMSSA-N 294.354 3.720 30 20 CHED C=C(C)CN[C@H](C)c1ccc(Br)s1 159969981 GZZSZCNSVHQKBY-MRVPVSSYSA-N 260.200 3.737 30 20 CHED Cc1csc(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)c1C#N 329306815 BHIMLXYXRYAYGI-SCZZXKLOSA-N 276.361 3.522 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H](C)C2 424318184 CPXSAVKJMXMIDT-LBEHMCEESA-N 254.377 3.510 30 20 CHED Cc1cc(C)c(C#N)c(S[C@H](C)c2cccnc2)n1 48833504 MDGCBDNLDOQOJL-GFCCVEGCSA-N 269.373 3.818 30 20 CHED C[C@H](NC(=O)N(C)C1CCCCC1)c1ccc(C#N)cc1 47053119 FZEFHOJLHCDVCF-ZDUSSCGKSA-N 285.391 3.593 30 20 CHED N#Cc1ccncc1N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 89268913 PDRMZTJYSIVIKP-ZBFHGGJFSA-N 299.761 3.549 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2C[C@H]2C2CCC2)c1 425275208 BUZWVQQJCBVMPC-HOTGVXAUSA-N 268.360 3.609 30 20 CHED O/C(C/N=C(/O)[C@@H]1CCCCS1)=N/C1CCCCC1 329350226 WTNIRZSMUDZQJM-LBPRGKRZSA-N 284.425 3.518 30 20 CHED C=CCC1(c2nc(C3(N)CCCCC3)no2)CCCC1 424346662 JPKAFDRVPDGEQL-UHFFFAOYSA-N 275.396 3.576 30 20 CHED Cc1ccc([S@](=O)CCCC(C)(C)C#N)cc1C 87611184 FRTMRWISYBHFAH-SFHVURJKSA-N 263.406 3.741 30 20 CHED CCC[C@H]1CCc2nc(N=C(O)[C@H]3CCCO3)sc2C1 328777102 LHWISLXOUOMIEH-CMPLNLGQSA-N 294.420 3.815 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1ccccc1Cl 42228795 REZCYVHKDCTCSG-SNVBAGLBSA-N 257.724 3.780 30 20 CHED O/C(=N/CC1(O)CCCC1)Nc1cccc2ccsc12 328820417 ORXQKIIBFHGGPF-UHFFFAOYSA-N 290.388 3.532 30 20 CHED O/C(=N/[C@@H]1CCOc2ccccc21)c1ccnc(C2CC2)c1 329485239 XBALJMXDCPTGRP-OAHLLOKOSA-N 294.354 3.787 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2ccc(C#N)cc2)CCC1 192242716 ZFTVYYPHESHUNE-CYBMUJFWSA-N 269.344 3.909 30 20 CHED C=CCC1(C(=O)NCCc2ccccc2Cl)CCC1 190419042 MCEXLCPONGMKII-UHFFFAOYSA-N 277.795 3.745 30 20 CHED Cc1sccc1CNc1ccc(OCC#N)cc1 381321720 GDOANYROUNGGIM-UHFFFAOYSA-N 258.346 3.571 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@@H]1c1ccccc1 191403275 AHRXFFJKCIJCTJ-BEFAXECRSA-N 293.414 3.522 30 20 CHED CC(C)c1ccccc1NC(=O)c1ccc(C#N)s1 336095021 BSGSLJRXDHOYPU-UHFFFAOYSA-N 270.357 3.995 30 20 CHED CCc1nc(/C(O)=N/[C@H]([C@@H](C)CC)C(F)(F)F)co1 331216511 DURKXHOWHBRWBA-OIBJUYFYSA-N 278.274 3.519 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1c(F)cccc1Cl 81381489 LVZIHHCEDOKEEW-QWRGUYRKSA-N 299.773 3.638 30 20 CHED C=CCC1(C(=O)Nc2nc(-c3cccnc3)cs2)CCC1 191966105 VZYSUSFIUOEUEN-UHFFFAOYSA-N 299.399 3.890 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ncc(C)cc1Br 335112420 JMFTVJPSPIJEDB-UHFFFAOYSA-N 297.196 3.693 30 20 CHED O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1cccs1 194924574 IUMJORIVIXWCMI-SNAWJCMRSA-N 288.759 3.945 30 20 CHED COc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc2ccccc12 424206482 WNJLQWVZEBAOSW-XJKSGUPXSA-N 280.371 3.630 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccc3c(c1)CCO3)C2=O 141630190 RYILJKOSTFOYAB-XNTDXEJSSA-N 292.334 3.589 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccoc1Cl 192337806 NTTQCKCZHAWJRY-UHFFFAOYSA-N 268.744 3.525 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccsc1 336001935 KBLPYDYWGZHVDD-LLVKDONJSA-N 270.357 3.670 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C(C)C)c(Cl)c1Cl 334688464 DSBHOBMCTKSXJF-SNVBAGLBSA-N 285.174 3.580 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)N(C)Cc1cccc(C#N)c1 194054034 DBXKFCINMBSPBX-WMLDXEAASA-N 299.418 3.526 30 20 CHED CCC1(C/N=C(/O)N[C@H]2CCOC3(CCC3)C2)CCCC1 330204123 CNBRMJLLAZTSED-AWEZNQCLSA-N 294.439 3.562 30 20 CHED CC(=O)c1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 336111364 RQVIFUGGLQZOLU-UHFFFAOYSA-N 298.729 3.667 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F 49120019 RCYWHJBPBDICOB-CZUORRHYSA-N 260.356 3.756 30 20 CHED O/C(Cc1ccc2n[nH]cc2c1)=N/CC[C@@H]1C[C@H]2CC[C@H]1C2 330024849 KDDALKCEKFDNMD-AEGPPILISA-N 297.402 3.888 30 20 CHED CSc1cccc(NC(=O)c2ccc(C#N)s2)c1C 334183684 BGWKFMXAAXWFIR-UHFFFAOYSA-N 288.397 3.902 30 20 CHED CCN(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 338258938 YBKHOJDVCQCJDS-UHFFFAOYSA-N 278.355 3.570 30 20 CHED CC[C@H](C)C[C@@H](C)N/C(O)=N/CC1CCC(C#N)CC1 331288588 JGTWTJGTAVAWQH-ZUJMUWTESA-N 279.428 3.645 30 20 CHED C=CCCN1CCC(n2c(CC)nc3ccccc32)CC1 93301901 GHAFLJRVSILHGW-UHFFFAOYSA-N 283.419 3.812 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 511897601 UEFOEYZZNSKZCQ-GVDBMIGSSA-N 266.388 3.558 30 20 CHED O=C(NCC#Cc1cccc(F)c1)[C@@H]1C[C@@H]1C1CCCCC1 513218216 IDCFMUKPMJKGAX-QZTJIDSGSA-N 299.389 3.510 30 20 CHED Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)co1 336168591 ZNQKBHWIRHRRNV-IRXDYDNUSA-N 294.354 3.500 30 20 CHED CC(C)CC[C@H](C)/N=C(/O)c1coc(C2CCOCC2)n1 331001768 XKFSHCDEROUFGN-LBPRGKRZSA-N 294.395 3.698 30 20 CHED CCCC(CCC)C(=O)NCC#Cc1cccc(F)c1 513223030 RLLVHWBIMCFBPV-UHFFFAOYSA-N 275.367 3.510 30 20 CHED Cc1cc(-c2nc3c(F)c(F)ccc3[nH]2)ccc1C#N 435705548 NNNNQPTUDZSREC-UHFFFAOYSA-N 269.254 3.688 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCCC2(CC2)C1 338846211 DVOGNONXNZTAJT-UHFFFAOYSA-N 286.423 3.502 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CCC(C)(CC)CC1 436305783 HWRKMJSSVJPOJQ-ORBLRFAASA-N 265.441 3.916 30 20 CHED C=CCCC1(C(=O)N2[C@H]3CC[C@H]2CC2(C3)CC2(F)F)CC1 529653137 PQVFVAAMZSNFLL-STQMWFEESA-N 295.373 3.912 30 20 CHED C[C@H]1CN(Cc2cc(C#N)ccc2F)[C@H]1c1ccccc1 245412638 ATTZRAPHAGZPSE-SCLBCKFNSA-N 280.346 3.890 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)[C@H](C)C1 347873176 RCOQUEAUQMOZDP-NVXWUHKLSA-N 299.414 3.597 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1cccs1 436287201 UCUBNYTYUOVFFQ-GUTXKFCHSA-N 265.422 3.770 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 524062357 MEZXMBYOQXZBEV-ZNMIVQPWSA-N 278.440 3.847 30 20 CHED N#Cc1ccc(CNCC2(c3ccccc3)CC2)c(F)c1 343156370 XPKPVEGUXZGLLB-UHFFFAOYSA-N 280.346 3.519 30 20 CHED CCC(=O)c1ccc(Oc2nc(C)ccc2C#N)c(F)c1 342678949 NGXHNJKBCWOTAY-UHFFFAOYSA-N 284.290 3.786 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC(F)(F)C[C@@H]1C 528291023 CICHHIKQURVLPD-RYUDHWBXSA-N 298.381 3.602 30 20 CHED Cc1ccsc1CNc1ncc(Cl)c(C)c1C#N 343478338 QOHRBZDLUVSOJI-UHFFFAOYSA-N 277.780 3.897 30 20 CHED Cc1cccc(C)c1OCCCNCC(C)(C)CCC#N 343697610 UQWRXEGDCKVEGP-UHFFFAOYSA-N 288.435 3.992 30 20 CHED CC(C)CN(Cc1noc(C(C)C)n1)c1ccc(C#N)cc1 346642074 LYABJALPZFMKIH-UHFFFAOYSA-N 298.390 3.727 30 20 CHED Cc1ccnc(N[C@H](C)c2c(F)cccc2F)c1C#N 343523009 XHMCJKYXRFNHQI-SNVBAGLBSA-N 273.286 3.713 30 20 CHED COc1cc(C)c([C@H](C)N2CC[C@@](C)(C#N)C2)cc1C 602718340 NABKUIHPGBBDID-YOEHRIQHSA-N 272.392 3.609 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N(CC#N)c1ccccc1 602252239 PRSWZBYZGPTXFG-INIZCTEOSA-N 292.382 3.730 30 20 CHED CCc1nc(C)c([C@H](C)NCCc2cccc(C#N)c2)s1 343603656 NSCVKSQIUQGGJQ-LBPRGKRZSA-N 299.443 3.779 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2c(C)cc(O)nc2c1 343529543 BTAIDVKFLRLHHN-ZDUSSCGKSA-N 298.386 3.723 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccc(OC)cc2nc1C 343765147 BHBDLXMWPFOOJI-AWEZNQCLSA-N 298.386 3.636 30 20 CHED C[C@H](CCC#N)CNCCc1cccc2ccccc12 602511952 SGSUTLIZSAEWPU-OAHLLOKOSA-N 266.388 3.912 30 20 CHED N#Cc1ccnc(SCCCc2ccccc2)c1 603726846 AWQDNAMUJKXTDB-UHFFFAOYSA-N 254.358 3.678 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1 255549125 MGXLONSYLOVRHL-KTKRTIGZSA-N 283.352 3.915 30 20 CHED Cc1ncc(CON=Cc2ccc(Cl)cc2)s1 254954664 XQUCTIBRFFNPKA-UHFFFAOYSA-N 266.753 3.656 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(Oc2cccnc2)cc1 344731550 QABIWLIAHHFRAA-ZDUSSCGKSA-N 297.358 3.960 30 20 CHED C=CCN(CCCc1ccncc1)Cc1cccc(C#N)c1 347305302 STWGMRXRJQHIPD-UHFFFAOYSA-N 291.398 3.574 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](c2cccc(F)c2)c2ccccn2)C1 349426625 WGPIIMVNXWMREX-RPVQJOFSSA-N 295.361 3.592 30 20 CHED C=C(CC)CNC1CCC(OC2CCCC2)CC1 449737034 XWHDOMLIRNAQOM-UHFFFAOYSA-N 251.414 3.813 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)c1c(C)coc1C 602393574 VVWOVPXOSMRPJB-UHFFFAOYSA-N 286.306 3.514 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\CCc1ccccn1 255513887 DZZFODQWSNYZDY-MFOYZWKCSA-N 295.169 3.756 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(F)ccc2O)CCCC1(C)C 444630943 JIINBYWDQDTWHW-HNNXBMFYSA-N 291.366 3.738 30 20 CHED COCCOc1ccccc1NCc1ccc(C#N)c(C)c1 443996407 UJBGKLHYTLMXFV-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=C(CC)COc1cccc(C(=O)N(CC)CC)c1 358656028 OTOQLGWOFCXLOI-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)[C@@]1(C#N)CC12CCCC2 449900662 VSRSGYCEOBUVID-DYVFJYSZSA-N 276.424 3.791 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(OC)cc1O)c1ccccc1 443560086 OYMPHQONEAKFOC-OAHLLOKOSA-N 297.354 3.699 30 20 CHED C=CCc1cc(CN2CC[C@@H](C)[C@H](C)C2)cc(OC)c1O 536667750 PUGXWTHTAJFICF-ZIAGYGMSSA-N 289.419 3.607 30 20 CHED COCC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccco1 353680587 UFNRHSLYLGMQFW-SJORKVTESA-N 296.370 3.506 30 20 CHED CCCc1csc(CNc2cccc(CC#N)c2)n1 449695985 JHYFMLUFEHXESM-UHFFFAOYSA-N 271.389 3.774 30 20 CHED CCCN(C(=O)[C@H](C)C#N)[C@@H](CC)c1ccccc1 531290865 XGNVHMJRQMBUKQ-HIFRSBDPSA-N 258.365 3.536 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 537518136 DKODANLSOUSDCQ-OBJOEFQTSA-N 276.380 3.557 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCc2ccccc2C1 260856821 VKMBCOLKSGSGGX-UHFFFAOYSA-N 282.774 3.770 30 20 CHED CCSc1cc(CNCc2ccc(C#N)c(C)c2)ccn1 443996159 ITMHFDHXMDVBTD-UHFFFAOYSA-N 297.427 3.664 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1cccc(Cl)c1Cl 267294179 YUKNZVIGQIJBEF-JTQLQIEISA-N 285.174 3.661 30 20 CHED C=CCCC[C@H](C)NC(=O)CCOc1ccccc1Cl 537231967 PMIHHHRXOWWFCX-ZDUSSCGKSA-N 295.810 3.970 30 20 CHED C=CCCOCCN[C@H](C)Cc1coc2ccccc12 449213914 XDMSGXOQGMBLKO-CQSZACIVSA-N 273.376 3.546 30 20 CHED C[C@H]1CCCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 619755863 WRXWPZRPFXXNLI-NHYWBVRUSA-N 262.784 3.880 30 20 CHED C[C@H]1CC(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H](C)C1 355496348 RFTOXRIUFSPWNT-GHMZBOCLSA-N 274.339 3.708 30 20 CHED C=CCN(C(=O)c1ccc(OCCCC)cc1)C1CC1 357488669 CWSCWAOBQOWUIL-UHFFFAOYSA-N 273.376 3.656 30 20 CHED Cc1cnc([C@H](C)CNC2CCC(C)(C#N)CC2)s1 449239803 WUZLVNYCTZAHDJ-NUYPLMSZSA-N 277.437 3.617 30 20 CHED C=CC[C@@H](CC)Nc1cc(-c2ccccc2)nc2ncnn12 440637477 NXQZXXXTNBMCCY-CQSZACIVSA-N 293.374 3.558 30 20 CHED CCCCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cn1 446803216 JWZAVCMDJCIVOV-KGLIPLIRSA-N 273.380 3.755 30 20 CHED CCc1cccc(Cl)c1CNCCCCC#N 353767288 LVBRTBBMBJDJOQ-UHFFFAOYSA-N 250.773 3.686 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2c(F)ccc(F)c2C1 614402573 KQNGDAZGQCBWPX-UHFFFAOYSA-N 298.336 3.703 30 20 CHED CCCN(C(=O)NCCCCC#N)[C@H]1CCc2ccccc21 264089476 FKQYYKJMIFNIHM-KRWDZBQOSA-N 299.418 3.789 30 20 CHED C=CCC[C@H](N[C@H]1CCO[C@@H](C(C)(C)C)C1)C1CC1 536834710 SZWSOEZEJMLVGT-HRCADAONSA-N 265.441 3.915 30 20 CHED C=CCCNC(=O)CCc1nc2cc(Cl)ccc2s1 617615243 DTQFIGLBPNWBJQ-UHFFFAOYSA-N 294.807 3.575 30 20 CHED C[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 269132633 LQUOHJQOAITEEE-NSHDSACASA-N 291.782 3.866 30 20 CHED C=CCN(C(=O)N[C@H](C)CCCC(C)C)C1CC1 538959779 TUJIBXNMUGOKBX-CYBMUJFWSA-N 252.402 3.561 30 20 CHED C=CCCCCNC(=O)Nc1ccc(CC#N)cc1Cl 455739446 WUXRYHNJNFLNOW-UHFFFAOYSA-N 291.782 3.884 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(OCCCC)CC1 537188255 VEZNWXKIQSEHDH-OAHLLOKOSA-N 296.455 3.722 30 20 CHED CC(C)(CC#N)CNCc1cc(Br)ccc1F 459699775 SBPMTKXTVPJCKQ-UHFFFAOYSA-N 299.187 3.618 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)o1 537303659 HLZWNRMNBASWSS-AWEZNQCLSA-N 288.778 3.916 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1c(F)cc(C#N)cc1F 610280230 JHQXJOCBSLMVJU-NVXWUHKLSA-N 284.309 3.979 30 20 CHED C=C(CC)CN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 453374712 TXQWUZNEXMXTDN-IRXDYDNUSA-N 287.403 3.724 30 20 CHED CCSCC[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 271951048 OMMBJLMJNDZELL-RYUDHWBXSA-N 280.412 3.880 30 20 CHED Cc1c(C#N)c(N2CCSC[C@H](C)C2)nc2ccccc12 450482557 XQRHVDLNOVUILP-GFCCVEGCSA-N 297.427 3.604 30 20 CHED C=CCN(C(=O)N[C@H]1CCSc2ccccc21)C1CC1 271355829 DTNAIWRSQAQZHQ-AWEZNQCLSA-N 288.416 3.584 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 455963458 ZHWJDQVYWDAWKY-NXEZZACHSA-N 271.282 3.657 30 20 CHED C=CCC1(NC(=O)Cc2cc(F)ccc2F)CCCC1 619108473 XGIVJCQIJYZKFM-UHFFFAOYSA-N 279.330 3.512 30 20 CHED C=CCN(CCC#N)[C@@H](C)c1ccc2c(c1)CCC2 459493128 OSVVYSRGBGZGLG-AWEZNQCLSA-N 254.377 3.638 30 20 CHED C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Cl)c(C#N)c1 612449597 UBWIJSPUFQIXQQ-GHMZBOCLSA-N 276.767 3.615 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 364323458 YWKGCMVBRKMIOT-UHFFFAOYSA-N 295.386 3.682 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H]1c1cccs1 274551597 IQDQRTZGUIDKJJ-ZDUSSCGKSA-N 278.421 3.951 30 20 CHED C=CCC[C@H](NC[C@H]1CCCN(CC(C)C)C1)C1CC1 540147719 PWPVSUASAPKXII-AEFFLSMTSA-N 278.484 3.689 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1 366919786 DRSUTSNSNUTJMF-LVFSCSRESA-N 296.414 3.510 30 20 CHED C#CC[C@H](NCc1cccc(OCC)c1O)c1ccccc1 270187142 KFVQENDNUSXIEF-KRWDZBQOSA-N 295.382 3.645 30 20 CHED C[C@H](C#N)CN(C)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 271353172 WLLNZYNQONAZMU-QWHCGFSZSA-N 292.810 3.527 30 20 CHED C#CCCN[C@H](c1ccccc1OC(F)F)C(F)(F)F 272280906 MRTKQZRUPSWADJ-LLVKDONJSA-N 293.235 3.504 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OC)c(SC)c1 459655076 CWIZJZIWJCFAQH-UHFFFAOYSA-N 292.404 3.623 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)Cc2ccc(C)s2)c1 456006330 QDZHXXGQRXBDEL-UHFFFAOYSA-N 299.399 3.901 30 20 CHED CC#CCCNC(=O)c1ccccc1N(C)c1ccccc1 542672901 FCCXIATZYPRBGC-UHFFFAOYSA-N 292.382 3.598 30 20 CHED C#CCCCC(=O)Oc1ccc(-c2c(C)noc2C)cc1 277303487 UJFBAVRSQBQWOB-UHFFFAOYSA-N 283.327 3.667 30 20 CHED CC(C)C[C@@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)CCO1 272023082 PVZJUQIFPYNLLO-VXGBXAGGSA-N 293.798 3.612 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc2cccnc12)OCC 270029016 CVVVOSLKMUKSRL-HNNXBMFYSA-N 284.359 3.545 30 20 CHED CC#CCCCC(=O)N1CCCCc2ccc(OC)cc21 466438319 LCRGQZWNUAVQDO-UHFFFAOYSA-N 285.387 3.558 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 285046500 JPQQBKLIJDSVDL-RYUDHWBXSA-N 290.382 3.526 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)C1CCCCC1 465669565 USZUMMZMSXIMHW-UONOGXRCSA-N 299.418 3.887 30 20 CHED CC(C)c1scnc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 289487575 ORFOFQWJRNFNEW-NSHDSACASA-N 299.399 3.629 30 20 CHED COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc(C#N)cn2)c1 371692977 OGJZAWVMPDFHOF-DYVFJYSZSA-N 293.370 3.549 30 20 CHED COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1O 289849069 RANYWXRWRLWRRY-STQMWFEESA-N 296.370 3.684 30 20 CHED C=CCN1CCC(N[C@H](C)c2nccc3ccccc23)CC1 289989378 YHKMKHCBWIBEAD-OAHLLOKOSA-N 295.430 3.536 30 20 CHED C=CCCN(C)C(=O)C1(c2ccc(F)cc2F)CCCC1 466636434 ULZYAERTLLTZIT-UHFFFAOYSA-N 293.357 3.811 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1cc2ccccc2s1 465224690 KFVAIEUKFJQBRI-QWRGUYRKSA-N 274.389 3.836 30 20 CHED N#Cc1cc(F)ccc1Nc1ccc(N2CCCCC2)nc1 462922621 ALAQYWHIROXKDE-UHFFFAOYSA-N 296.349 3.826 30 20 CHED CC(C)(O)CCSc1nc(-c2ccccc2)ccc1C#N 462392514 LPNFWMQNKWRRLV-UHFFFAOYSA-N 298.411 3.873 30 20 CHED C=C(C)CCc1noc([C@H](C)N2[C@@H](C)CC[C@H]2C)n1 285105876 LPCHTVPHODOYEE-XQQFMLRXSA-N 263.385 3.512 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C#N)oc1C 280747197 XOVNYONDRUWMQV-OAHLLOKOSA-N 296.370 3.553 30 20 CHED C=CCC[C@H](CCC)NCc1csc(COC)n1 289993686 YOGSZNYDLYJTNO-LBPRGKRZSA-N 268.426 3.514 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C1CCC[C@@H]1CCF 807990913 GAZVUPHCHFMQPV-LLVKDONJSA-N 279.315 3.831 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc2c(c1)COC2 552599623 JVDUOARMWJQMTE-CQSZACIVSA-N 259.393 3.941 30 20 CHED C[C@H](C(=O)Nc1sc(C(C)(C)C)cc1C#N)C1CC1 297642589 CXDBLEDPLXRULE-VIFPVBQESA-N 276.405 3.902 30 20 CHED C=CCOCCCc1nc([C@H]2CCCC[C@H]2CC)no1 567359055 HZMGRIRFRHGPKU-KGLIPLIRSA-N 278.396 3.889 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)nc1 291417402 YORXBPPDGMQMBU-CYBMUJFWSA-N 294.354 3.995 30 20 CHED N#CCCN(C(=O)c1ccc(Cl)o1)c1ccc(F)cc1 564194414 DDVITMRAIKSOCT-UHFFFAOYSA-N 292.697 3.633 30 20 CHED CCC1(CC)[C@H](Nc2nc(Cl)c(C#N)s2)C[C@H]1OC 804558640 PHPMKKLULSUTAG-NXEZZACHSA-N 299.827 3.674 30 20 CHED C#CCCCOC(=O)CCSc1cccc(Cl)c1 808700614 HRGYWBDWRDOIEB-UHFFFAOYSA-N 282.792 3.779 30 20 CHED C=CCCC(=O)Nc1cc(C)n(C2CCCCC2)n1 290986381 WOGDLVLADBDDET-UHFFFAOYSA-N 261.369 3.601 30 20 CHED C#Cc1ccc(CNc2ccc([C@H]3CCOC3)cc2)cc1 293652260 NDGKYHDFZAFZBP-SFHVURJKSA-N 277.367 3.784 30 20 CHED C#Cc1cncc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c1 806425104 AUCVOGHFQXYCGO-HNNXBMFYSA-N 292.382 3.513 30 20 CHED Cc1coc2ccc(NC(=O)NCC3(C#N)CCC3)cc12 568370864 WBRGAVROBDQMMV-UHFFFAOYSA-N 283.331 3.557 30 20 CHED CC[C@@H](C)Oc1ccc(-c2noc(CCCC#N)n2)cc1 291146262 YWJCXPBZHMVZLM-GFCCVEGCSA-N 285.347 3.760 30 20 CHED C#Cc1ccc(CNCc2cc(C(CC)CC)no2)cc1 290209971 DTRMBUHESFDXSU-UHFFFAOYSA-N 282.387 3.849 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(OC(C)C)c1 297334760 NILIXHXFJQVKBY-LBPRGKRZSA-N 262.353 3.560 30 20 CHED CCc1ccc([C@H]2CCN(C(=O)C3(C#N)CCCC3)C2)cc1 294606650 NQUXRQPJFLTLSD-KRWDZBQOSA-N 296.414 3.649 30 20 CHED CCOc1ccc(C=NOCC[C@H](O)c2ccccc2)cc1 808244522 DUIVAWWYWDZCRG-SFHVURJKSA-N 299.370 3.560 30 20 CHED C=C(C/N=C\c1cccc(OC)c1O)c1ccccc1 806551226 RPZBRPLNSUAXCZ-PDGQHHTCSA-N 267.328 3.533 30 20 CHED C=CCCN(C)C(=O)c1c(C)ccc(Br)c1C 646027441 YEOUJHSYMQSYFN-UHFFFAOYSA-N 296.208 3.714 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 564256364 CEHRZRWOZYEKCB-OAHLLOKOSA-N 287.319 3.807 30 20 CHED CC1(C)CCCC[C@@H]1NCC#Cc1ccc(F)cc1 481187640 GZHLQQNDBDIZSA-INIZCTEOSA-N 259.368 3.736 30 20 CHED C#CCCCCCC(=O)NCCc1ccc(Cl)c(C)c1 812551168 VBKDSWUUSDNQGJ-UHFFFAOYSA-N 291.822 3.891 30 20 CHED C=CCC[C@@H](C(=O)N(CC)CCC)c1ccccc1 488656283 NHUJMRCSZGRNAY-MRXNPFEDSA-N 259.393 3.995 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2ccc(C)s2)c1 811892506 UWPGGIDDVFFLHG-UHFFFAOYSA-N 283.396 3.633 30 20 CHED CCCCSCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 819736126 CFZXNFOSSVVMKD-ZDUSSCGKSA-N 290.432 3.611 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CC[C@H](C)C2)c1 814820321 YHXVGZBUSJIMJS-VIFPVBQESA-N 279.384 3.597 30 20 CHED Cc1cc(C)c(NN=C2CCn3cccc32)c(C)c1 818250441 QBXFOHKXOUITCP-UHFFFAOYSA-N 253.349 3.633 30 20 CHED Oc1cccc(C=NNc2ccc(F)cc2F)c1Cl 814686403 DIGUIPOXTWXSSZ-UHFFFAOYSA-N 282.677 3.770 30 20 CHED CC[C@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482207811 FWIGJQNQHJFHDH-ZDUSSCGKSA-N 294.354 3.879 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1 488813706 HMGLVOSMUCBIRR-GXTWGEPZSA-N 293.794 3.674 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)c(C)c2)cc1O 811699549 VAMSFDPHWOSOAS-VURMDHGXSA-N 282.339 3.914 30 20 CHED C=CCC[C@H](NCc1ncc(C)[nH]1)c1ccccc1 657413780 RXCRNONSWRAFCE-HNNXBMFYSA-N 255.365 3.515 30 20 CHED CCCCCCCCC/C=C/C(=O)N[C@]1(C)CCOC1=O 813295167 UCNYVBWMCLHOGE-FMQWLBJXSA-N 295.423 3.505 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1cccc(C#N)c1 812242753 ZYSSEMQLIJQJLK-ALCCZGGFSA-N 281.286 3.602 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCC(=O)C[C@H]1C 811590080 OMRQUGWLNYGJKR-ZBFHGGJFSA-N 279.424 3.635 30 20 CHED CO[C@](C)(C=NNc1cccc2c1CCCC2)C1CC1 814811357 BIFXOFSYLVBTCG-QGZVFWFLSA-N 272.392 3.778 30 20 CHED CC(=NNc1ccc(C)cc1)[C@@H](C)NC(=O)OC(C)(C)C 811629399 PSWZSHWCCMXCAM-GFCCVEGCSA-N 291.395 3.696 30 20 CHED C=CCC(F)(F)C(=O)N(CC(C)C)c1ccc(OC)cc1 815147390 RUBAFIPCVJAVJE-UHFFFAOYSA-N 297.345 3.896 30 20 CHED CCc1ccc([C@H]2CCN(C(=O)C3(C#N)CC(C)C3)C2)cc1 570069353 WRNRXDSJUDGVOO-KGYZHSKHSA-N 296.414 3.505 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)CCCCC)c1 726435586 DZEVUCGVFCHKFI-CYBMUJFWSA-N 274.433 3.923 30 20 CHED C=CC[C@@H](C)C(C)=NNc1cnc2ccccc2n1 727778842 JCOBZGOKASWAPC-LLVKDONJSA-N 254.337 3.630 30 20 CHED C=CCCCCOC(=O)Cc1c[nH]c2cc(C)ccc12 811011700 INRPGEXLLYEYCP-UHFFFAOYSA-N 271.360 3.918 30 20 CHED CC#CCCN[C@H](C)Cc1ccc(C(F)(F)F)cc1 482156231 KKWOHFJLQXTMNK-GFCCVEGCSA-N 269.310 3.639 30 20 CHED C=C[C@H]1CCCCN1Cc1cccc(OC(C)(C)C)n1 489408168 QSRDNJYVLLDUFW-HNNXBMFYSA-N 274.408 3.799 30 20 CHED CC(C)(C#N)CCC[S@](=O)[C@H]1CCc2ccccc2C1 579253393 RULGBIAUTNHIBQ-JXFKEZNVSA-N 289.444 3.623 30 20 CHED Fc1cccc(Cl)c1C=Nn1cnc2ccccc21 725848231 NTYKBMUJTOJOCV-UHFFFAOYSA-N 273.698 3.711 30 20 CHED CC/C=C/CCOC(=O)c1cc2ccccc2n1CC#N 729892295 SALKHRNKVCNRMD-ONEGZZNKSA-N 282.343 3.678 30 20 CHED C=CCC[C@@H](C)NC[C@H](OC1CCCC1)C(F)(F)F 658124963 RWEBTZFTYNCOTA-YPMHNXCESA-N 279.346 3.821 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1ccsc1 726738428 SIEGOKVMZUXIKT-UHFFFAOYSA-N 284.344 3.634 30 20 CHED C=CCOC(=O)CCc1ccc(Cl)c(Cl)c1 725980966 RDCMZLXRHFWOFT-UHFFFAOYSA-N 259.132 3.655 30 20 CHED COc1cc(C(=O)/C=C\c2c(Cl)cccc2Cl)on1 821021529 HFAYTTUOLTXKNJ-WAYWQWQTSA-N 298.125 3.886 30 20 CHED N#Cc1ccc(NC(=S)NCC2CCCC2)cc1Cl 726479442 ZRSHPFFZYLHVER-UHFFFAOYSA-N 293.823 3.688 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCC[C@H](C)C1 490227180 MKDOQMOLFOUZAP-GJZGRUSLSA-N 275.392 3.663 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(Cl)c(F)c1 490016926 ZYYITEXDKNGQTF-UHFFFAOYSA-N 283.774 3.740 30 20 CHED CC[C@H](N[C@@H](C)C(F)(F)F)c1cccc(C#N)c1 902995229 XFOLVTALVKMLPX-CABZTGNLSA-N 256.271 3.550 30 20 CHED C=C(C)CCNCc1c(-c2ccccc2)nn(C)c1Cl 824744040 XFKWFZASBNVLAU-UHFFFAOYSA-N 289.810 3.796 30 20 CHED CCOc1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1 731565696 YCAFKJPOMJAIRS-UKTHLTGXSA-N 298.313 3.883 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1cncs1 734746851 XGNNONTUBZHVDF-UHFFFAOYSA-N 271.389 3.858 30 20 CHED C#CCOc1ccc(CNC(C)(C)c2ccccc2)cc1 733325937 ZWAHAILHBSXBKD-UHFFFAOYSA-N 279.383 3.724 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C(C)(C)C)oc2C)n1 905856951 BAZKNIILOCOZFB-UHFFFAOYSA-N 297.358 3.713 30 20 CHED Cc1c(C(=O)/C=C\c2ccsc2)c(C#N)c2n1CCC2 730084361 BEMONJBSEJJDMA-PLNGDYQASA-N 282.368 3.572 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(F)ccc1F 491260975 SCBVUVLXNLJRJF-UHFFFAOYSA-N 277.314 3.789 30 20 CHED C=CCCCC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 495122187 XLLIOESQLJTHOL-IAGOWNOFSA-N 287.403 3.597 30 20 CHED CCC[C@@H](C)c1noc(-c2ccc(C#N)cc2OC)n1 903995963 WQGTUHLYLSEKGN-SNVBAGLBSA-N 271.320 3.520 30 20 CHED C=CCC[C@@H](C(=O)NCCSC(C)C)c1ccccc1 588168508 QDVXCEJZKFWOIS-MRXNPFEDSA-N 291.460 3.994 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3cc(C#N)cc(C)n3)C2)cc1 588035784 ZIWUXVHRMNJSSK-CRAIPNDOSA-N 291.398 3.953 30 20 CHED C=CCCCc1nc(-c2ccc(CC(C)C)nc2O)no1 904231398 IMLFTZNFTQLIBO-UHFFFAOYSA-N 287.363 3.544 30 20 CHED COc1c(C)ccc(NC(=O)CCCCCC#N)c1C 588149618 KDLIIJMKXNANEV-UHFFFAOYSA-N 274.364 3.725 30 20 CHED Cc1cccc(C(=O)/C=C/c2cncn2C(C)C)c1 901427476 JNKBDAYAZRKGGV-BQYQJAHWSA-N 254.333 3.669 30 20 CHED C=CC[C@H](NC(=O)c1cc2occc2s1)c1ccncc1 736091135 COCAKAXEBVSKEH-LBPRGKRZSA-N 298.367 3.937 30 20 CHED C=CCCN(CCc1cncs1)OCc1ccccc1 839574321 LHKRPGPMGHAXES-UHFFFAOYSA-N 288.416 3.696 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCCCCC#N)C2 588640608 ZODREHIYXOTAPD-VBQJREDUSA-N 276.424 3.791 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2ccc(F)cc2Cl)C1 839449260 MSDONTPJGXJOHW-GWCFXTLKSA-N 295.741 3.647 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)/C=C\c2ccc(Cl)cc2)C1 839044206 PRLIMUNTPYKQKY-LGQYFOJISA-N 289.762 3.979 30 20 CHED CS[C@@H]1CCCC(=NNc2nc3ccccc3n2C)C1 901169623 HXMIQEGBNHIMDW-GFCCVEGCSA-N 288.420 3.647 30 20 CHED N#C[C@H](OC(=O)c1ccc2cnccc2c1)C1CCCCC1 835342378 PVKSCFNUWIATFG-KRWDZBQOSA-N 294.354 3.864 30 20 CHED CC(CCc1cccc(C)c1)=NN[C@H](C)C(F)(F)F 834995453 FKGJHERSLYLDKY-GFCCVEGCSA-N 272.314 3.844 30 20 CHED CC(C)(C#N)CC(=O)O[C@H]1CCCc2c(F)cc(F)cc21 835508641 OIHQFIXOZMJXLK-AWEZNQCLSA-N 293.313 3.825 30 20 CHED CC(C)CC(C)(C)C(=O)O[C@H]1CCC[C@H](C#N)C1 839057146 WMQVNTKVTOBUIO-STQMWFEESA-N 251.370 3.684 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2cnccc2c1 838103048 XJSPAGPRIFSNPQ-UHFFFAOYSA-N 282.343 3.722 30 20 CHED CC(C)(C)n1cc(C=NNc2cccc(Cl)c2)cn1 915935009 PZDJMAZFFZPBHM-UHFFFAOYSA-N 276.771 3.738 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1C)C(C)C 914683461 OSETWVSXEWDQMM-ZDUSSCGKSA-N 295.810 3.839 30 20 CHED C=C(C)CCOC(=O)c1ccc(OCC)c(OCC)c1 744306564 GCWAHMBATJXQDG-UHFFFAOYSA-N 278.348 3.607 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)O[C@@H]2CCC[C@@H](C)C2)c1 742511292 LUASUDPKZOPYBY-OLMNPRSZSA-N 299.414 3.980 30 20 CHED N#CC1(COC(=O)[C@H]2CC23CCSCC3)CCCCC1 835282517 SKBPCDKFGNJQLG-CYBMUJFWSA-N 293.432 3.537 30 20 CHED O=[N+]([O-])c1ccc(NN=C/C=C\c2ccccc2)cc1 916244956 INFBWRBRXAPTDK-GFBOTKLASA-N 267.288 3.706 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H](c2ccncc2)C1 590741210 OCMASQAJXBKSAF-IBGZPJMESA-N 291.398 3.641 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)C1CCOCC1 746575668 GGBCJPUUJABVAX-UHFFFAOYSA-N 286.297 3.920 30 20 CHED CC#CCOC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 744900098 RBNVMJFWRMKIAH-ZHACJKMWSA-N 282.261 3.675 30 20 CHED COc1ccc(CCNN=C(C)CCC=C(C)C)cc1 749164822 PFDLUZHMYVFCKD-UHFFFAOYSA-N 274.408 3.950 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C#N)ccc1C 596707635 JDLNVMHWEOQIRF-UHFFFAOYSA-N 271.364 3.733 30 20 CHED CC[C@@H](c1ccncc1)N(C)C(=O)CC1(C#N)CCCCC1 597278158 LMZGLAINCLYAKV-INIZCTEOSA-N 299.418 3.855 30 20 CHED C=CCCOCC(=O)N1c2ccccc2CC[C@@H]1CCC 675439036 PFJWAFPXUKYEIA-INIZCTEOSA-N 287.403 3.727 30 20 CHED CCN(Cc1ccc(Cl)cc1)C(=O)C#Cc1ccccc1 747355525 UYDCINYKVCXXLD-UHFFFAOYSA-N 297.785 3.740 30 20 CHED CC#CCOC(=O)c1cnc(-c2ccc(C)cc2C)s1 744890720 XUSGAZGRMQMPNP-UHFFFAOYSA-N 285.368 3.607 30 20 CHED Cc1ccc(-c2ncc(CNC[C@@H](C)C#N)s2)cc1C 594612640 PHCZJKKKIWXEEH-NSHDSACASA-N 285.416 3.676 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(C(C)C)c1 597044512 ZCMLOJWXAWGOGH-KRWDZBQOSA-N 272.392 3.868 30 20 CHED C=CCC[C@H](C(=O)N1Cc2ccncc2C1)c1ccccc1 848382445 SDOLQBXXQGSHMV-SFHVURJKSA-N 292.382 3.674 30 20 CHED C=C(C)CONC(=O)c1ccc(C)c(Cl)c1Cl 846534275 NXZVJXUYCONCFM-UHFFFAOYSA-N 274.147 3.539 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)CC1(C#N)CCCCC1 597304107 MXFIMGNMDHLSRZ-UONOGXRCSA-N 264.413 3.791 30 20 CHED CC[C@H](C#N)C(=O)N(CCC(C)C)c1ccc(OC)cc1 593675765 CIEDGKFJUVHCMK-CQSZACIVSA-N 288.391 3.624 30 20 CHED CC[C@H](C#N)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 593445219 GFHGTTAMIIIGDQ-NXEZZACHSA-N 299.201 3.763 30 20 CHED C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCC(C)(C)C#N 741753809 BXKKIEIKPDGCEA-INMHGKMJSA-N 286.419 3.777 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N(CC#N)c1ccc(Cl)cc1 592653979 XENXLECMEFABPE-ZBFHGGJFSA-N 290.794 3.879 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1ccc(N)cc1 917552279 PJERGGUJGNUEFT-UHFFFAOYSA-N 279.387 3.984 30 20 CHED CCCCCCCOC(=O)Cc1cccc(OC)c1 918493449 VEVMUXYEWNAGQV-UHFFFAOYSA-N 264.365 3.751 30 20 CHED CCC(=NNCc1ccc(C(F)(F)F)cc1)C1CC1 741162193 ACLYVPANDUFJLM-UHFFFAOYSA-N 270.298 3.971 30 20 CHED C[C@H]1CCc2sc(NC(=O)CCCF)c(C#N)c2[C@H]1C 598839902 WQIFPRBJSVZUQY-UWVGGRQHSA-N 294.395 3.994 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2OCC(C)C)no1 844550792 OKUDZDQXBJPXCO-HJWRWDBZSA-N 285.343 3.914 30 20 CHED N#Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1F 598838063 MCZHBNAWVMQXOE-UHFFFAOYSA-N 285.322 3.500 30 20 CHED CCC(=NNc1cc(C(F)(F)F)ccn1)[C@@H]1C[C@@H]1C 841639996 JBTLGHIZKZFNOE-WCBMZHEXSA-N 271.286 3.934 30 20 CHED N#C[C@H](C(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1nc(C2CC2)cs1 842941518 ARSPPXIYEVAECI-WUHRBBMRSA-N 286.400 3.633 30 20 CHED Clc1ccc([C@@H]2CCCC2=NNc2ncccn2)cc1 741459201 VJOSLNGUDJWFNT-ZDUSSCGKSA-N 286.766 3.866 30 20 CHED COc1ccc2ccccc2c1CCN[C@@H]1CC[C@@H](C#N)C1 926912242 RWGMXVJEWGVTCK-GDBMZVCRSA-N 294.398 3.673 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc2nc(C)sc2c1 842856192 ZAECHBYXQAIEOM-UHFFFAOYSA-N 287.384 3.697 30 20 CHED C#CC[C@@H](NC(=O)C[C@@H](C)CCC)c1ccccc1 757599504 MYGZIEKAHAJACE-GOEBONIOSA-N 257.377 3.694 30 20 CHED CCOc1cc(N[C@@H](C)CC(C)(C)C#N)ccc1OC 925747664 VZRUFPLDKSMBEJ-LBPRGKRZSA-N 276.380 3.834 30 20 CHED C#Cc1cccc(NC(=O)Cc2ccc(SCC)cc2)c1 751576108 DJDONBULCNPOSN-UHFFFAOYSA-N 295.407 3.961 30 20 CHED COc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1OC 921265958 GTUNDUMRBYCHRF-XYOKQWHBSA-N 298.313 3.665 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccccc1O[C@@H]1CCOC1 925910624 WVYXWVBUHURUCZ-UONOGXRCSA-N 288.391 3.595 30 20 CHED Cc1cc(/C=C2\COc3c(F)cccc3C2=O)cc(C)c1O 921266357 OLCPUNSCABPCRT-MDWZMJQESA-N 298.313 3.807 30 20 CHED CC(C)C1CCC(=NNc2ncccc2[N+](=O)[O-])CC1 759203150 KPGZSQVOTADWMR-UHFFFAOYSA-N 276.340 3.604 30 20 CHED Cc1cc(C=NNc2ncccc2C(F)(F)F)c(C)n1C 754933700 WOMRUMPSSWCRQP-UHFFFAOYSA-N 296.296 3.502 30 20 CHED Cc1cccc2[nH]cc(CC(=O)O[C@H](C)CC(C)(C)C#N)c12 851209349 FBBUGJOIXAHZDL-CYBMUJFWSA-N 298.386 3.890 30 20 CHED CCCCOc1ncccc1CN[C@@H](C)CC(C)(C)C#N 924792441 XOFSASWTYPWTHH-AWEZNQCLSA-N 289.423 3.678 30 20 CHED Cc1cccc2c1[C@H](NCc1ccc(C#N)cc1)CC2 924699205 ISGCEDRXPGPVNM-QGZVFWFLSA-N 262.356 3.644 30 20 CHED CC1(CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 759427252 VYWLHTOGRBFWGI-ZDUSSCGKSA-N 264.328 3.601 30 20 CHED CCc1ccccc1NN=Cc1cc(COC)cs1 853289455 LMBKKBJQNVCGSR-UHFFFAOYSA-N 274.389 3.903 30 20 CHED CCCC[C@H](CC)CNC=C1C(=O)CC(C)(C)CC1=O 920975993 BDHRJEUOTKURSL-ZDUSSCGKSA-N 279.424 3.635 30 20 CHED C#CC[C@H](OC(=O)c1cnc2ccccc2c1C)C1CC1 750773898 BTYIIXPVDCDIBQ-KRWDZBQOSA-N 279.339 3.502 30 20 CHED C[C@H](C/N=C/c1ccccc1O)c1ccc(F)cc1 920177522 HNXXDVNSTCTDIK-MBNTZHJCSA-N 257.308 3.754 30 20 CHED COc1ccccc1C(C)=NN[C@@H](C)c1ccccc1 920385843 IKSWOEOHGDLEEC-ZDUSSCGKSA-N 268.360 3.770 30 20 CHED CC(C)C[C@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 752770241 YTZBKVHCUXTIGU-JTQLQIEISA-N 295.839 3.933 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])cc1C 751205309 ACWYNXMHOBZRPB-VMPITWQZSA-N 297.310 3.813 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1 755816191 UAXGDEBRHHLLCD-CYBMUJFWSA-N 287.281 3.973 30 20 CHED C=C(C)COC(=O)c1c(C)nc(C(C)(C)C)nc1SC 761544513 UIHDZVOZNRNMGV-UHFFFAOYSA-N 294.420 3.537 30 20 CHED C#Cc1ccc(NC(=O)N(Cc2ccc(C)o2)C2CC2)cc1 934937528 KIFHNWDVALCXOH-UHFFFAOYSA-N 294.354 3.766 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)CCc2scnc21 863196912 ZYMJCPGVMXQTPX-UITAMQMPSA-N 288.397 3.690 30 20 CHED COc1cccc(C(=O)/C=C/c2sccc2OC)c1 764432536 CZGJVKSFMPJMDJ-VOTSOKGWSA-N 274.341 3.661 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(C#N)s1 762449473 MXPZDYWMCSZUJD-UHFFFAOYSA-N 273.336 3.903 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1nc(C2CC2)cs1 767118056 PSTMTEIAVUBLCN-NSHDSACASA-N 277.389 3.818 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)OCC(C)(C)CC#N)c1 860658948 PPMDCDWHGYOAHG-LSDHHAIUSA-N 271.360 3.582 30 20 CHED C#CCN(C(=O)C[C@H](C)Cc1ccc(Cl)cc1)C1CC1 763800287 OYTOTDXOPWGHQT-CYBMUJFWSA-N 289.806 3.533 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)c(C)c2)cc1F 766492735 XIKVIZCJFQQUSB-DAXSKMNVSA-N 295.313 3.911 30 20 CHED C#CCCCN[C@H]1CCCOc2c(C)cc(Cl)cc21 769876069 QMWJLLBHSAAXSZ-HNNXBMFYSA-N 277.795 3.865 30 20 CHED C=CCCOC(=O)/C=C\c1ccc(SC)s1 860290341 REYLAVZPODVOFE-ALCCZGGFSA-N 254.376 3.603 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2nc3ccccc3[nH]2)C1 768353393 YFGYXDXTANKBMH-VXGBXAGGSA-N 256.353 3.787 30 20 CHED COc1cc(F)cc(NN=Cc2csc(C(C)C)n2)c1 1116262451 WELJTMOVGLCGSX-UHFFFAOYSA-N 293.367 3.860 30 20 CHED C=CC[C@@H](N[C@@H](COC)Cc1ccccc1)c1ccncc1 766020905 QVZSBDSHIDLHFR-RTBURBONSA-N 296.414 3.546 30 20 CHED Cc1cccc(C=NOC(C)(C)C)c1OC(F)F 1116489212 LHHTXGHQMJRCHN-UHFFFAOYSA-N 257.280 3.745 30 20 CHED C#CCCCN(C)CCCc1cc(-c2ccccc2)no1 766896276 QVSLDAAEEXOKGC-UHFFFAOYSA-N 282.387 3.619 30 20 CHED COc1ccc(C(=O)/C=C\c2sccc2OC)cc1F 764431341 BIMQEOPTSYGWSU-XQRVVYSFSA-N 292.331 3.801 30 20 CHED CC(=NNCC(F)(F)F)c1cc2c(s1)CCCC2 769822167 RGGURZJYHVZYHZ-UHFFFAOYSA-N 276.327 3.503 30 20 CHED CCc1cccnc1C(=O)OCCCCC(C)(C)C#N 768819266 CIIREELMYBNCQQ-UHFFFAOYSA-N 274.364 3.521 30 20 CHED CC(=NNC[C@H](C)C#N)C1(c2ccccc2)CCCC1 774392160 BZGIGGWTFXNCLU-CQSZACIVSA-N 269.392 3.624 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC)nc1Cl 776017515 YXOAUQUDCVBJRL-SNVBAGLBSA-N 297.786 3.610 30 20 CHED COc1ccc(N2CCC(=NOC3CCCC3)CC2)cc1 774598054 ZRTVUPBTGWQERY-UHFFFAOYSA-N 288.391 3.611 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H](C)[C@H]1CCC 779963873 NXOFEFIHSOYXFH-JKSUJKDBSA-N 263.425 3.997 30 20 CHED COc1ccc(NC[C@H](C)CCC#N)cc1OC(C)C 877352888 LRIJOQCAODHBLM-CYBMUJFWSA-N 276.380 3.834 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccnc2N(C)C)cc1C 1117391846 MWBYPOGMUFIUGI-MDZDMXLPSA-N 280.371 3.661 30 20 CHED Fc1ccc(CNN=Cc2sccc2Cl)cc1 1116815477 NLKZNALMWHNXGJ-UHFFFAOYSA-N 268.744 3.664 30 20 CHED C[C@H](CCc1ccc(F)cc1)C(=O)[C@H](C#N)c1ccccn1 870136149 IJJUUVBCRRENQS-CZUORRHYSA-N 296.345 3.666 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1cncc(Cl)n1 773189998 LYVDMQIERWWPMR-GHMZBOCLSA-N 264.760 3.520 30 20 CHED N#CCc1cccc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 771016625 PKCHYKNRGGDVRN-YQQAZPJKSA-N 283.371 3.878 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCOc2c(CC)cccc21 779900534 ZWSOFCUAIVFJIQ-KRWDZBQOSA-N 299.414 3.773 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1scnc1C1CCCC1 1121252933 JPVVZCSCHFKONQ-GFCCVEGCSA-N 291.420 3.565 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)C2CCC2)cc1 773103115 IXAOPLHEWCHTBQ-KBPBESRZSA-N 257.377 3.538 30 20 CHED C=C1CCC(C(=O)N(C)[C@H](C)c2ccc(OC)cc2)CC1 887910027 LOCAXGHJXXDKTA-CQSZACIVSA-N 287.403 3.961 30 20 CHED CC(C)Sc1cccc(Cl)c1C=NN1CCOCC1 786035331 BPLLWKFCYCJQMN-UHFFFAOYSA-N 298.839 3.507 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(COC(C)(C)C)c1 885619665 YMYRJGLUHVJGDU-KRWDZBQOSA-N 288.391 3.880 30 20 CHED CCc1ccc([C@@H](CC)NCc2ccc(C#N)cn2)cc1 783292981 FAYDEIKSWQPJKU-GOSISDBHSA-N 279.387 3.757 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccsc1Cl 782299002 DWCYTTGNQJVLOQ-JTQLQIEISA-N 256.802 3.904 30 20 CHED CC(CCc1ccco1)=NNc1ccc2c(=O)[nH]ccc2c1 789073667 PFRGGIKTQZFQNH-UHFFFAOYSA-N 295.342 3.542 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1coc(C)n1 789034505 QVGVTZVPRSTSHD-UHFFFAOYSA-N 283.253 3.838 30 20 CHED CC(C)[C@H](Nc1c(Cl)cccc1C#N)c1cnn(C)c1 896427999 JNPUVPOFEQKGLR-AWEZNQCLSA-N 288.782 3.754 30 20 CHED CC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCCCC1 1131906797 VXWWHLAHTQCGRU-UHFFFAOYSA-N 296.374 3.734 30 20 CHED Cc1cc(Cl)cc(C)c1C=NN[C@H]1CCOC(C)(C)C1 780247031 OLBLAAVEXTWUGG-AWEZNQCLSA-N 294.826 3.838 30 20 CHED O=C(/C=C\c1c[nH]nc1-c1ccccc1F)c1cncs1 787171680 NTXAGMHYLNXKGI-WAYWQWQTSA-N 299.330 3.568 30 20 CHED CC(C)(C#N)CCCOC(=O)COc1ccccc1Cl 781944281 SAUQMTXFUIVJIE-UHFFFAOYSA-N 295.766 3.592 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)CCc2cc(O)ccc21 899352946 RBMAOOSDRINZDY-RIYZIHGNSA-N 294.354 3.526 30 20 CHED CC(C)[C@H](Cc1ccccc1)NC[C@@H](C)CCC#N 895748485 YOQVUEPNRCUFPE-RDJZCZTQSA-N 258.409 3.783 30 20 CHED C=CCCN(C)Cc1c(F)ccc(Br)c1F 501891968 XWZMIGIHLVYFBQ-UHFFFAOYSA-N 290.151 3.735 30 20 CHED Cc1cc(F)ncc1CNc1ccc(OC(C)C)c(C#N)c1 893433438 KPAJVMGLGKYNSF-UHFFFAOYSA-N 299.349 3.800 30 20 CHED Fc1nc(F)c(F)c(SCCC(F)(F)F)c1F 216791786 PLFJISBSHHBLPE-UHFFFAOYSA-N 279.180 3.683 30 20 CHED C=C1CCC(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)CC1 895875269 KVTVMXGCRUSVHC-CRAIPNDOSA-N 299.414 3.721 30 20 CHED CC[C@@H](C)CON=C(C[C@H]1CCOC1)c1ccccc1 793146283 POHVBYWMFAJDFN-HUUCEWRRSA-N 275.392 3.880 30 20 CHED C[C@H](CNc1cccc(F)c1C#N)COCc1ccccc1 390143759 QCZYWYFHMZOIHZ-CQSZACIVSA-N 298.361 3.962 30 20 CHED Oc1ccccc1/C=N/[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 797784828 KAGKMAZYOPIJFB-DZDJVXKBSA-N 291.272 3.785 30 20 CHED CCC[C@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 186105943 NAJAQNFNNAAIHI-AWEZNQCLSA-N 272.392 3.590 30 20 CHED CC(=NNCc1c(Cl)cccc1Cl)c1cccnc1 793118184 WJVPNKBQPJBGAK-UHFFFAOYSA-N 294.185 3.902 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCc1ccc(Cl)cc1 799579221 KPLRJXAMQDYGBO-YFHOEESVSA-N 297.741 3.968 30 20 CHED CC(Cc1cccs1)=NNc1cccc(F)c1[N+](=O)[O-] 790310752 OBMIQMLURWTVRC-UHFFFAOYSA-N 293.323 3.826 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1coc(C(C)C)n1 799477177 JWJYZEVRMASJJX-UHFFFAOYSA-N 293.317 3.590 30 20 CHED CSCCON=C(Cc1cccc(C)c1)C1CC1 794574785 PJYYGVRSOZNBHD-UHFFFAOYSA-N 263.406 3.683 30 20 CHED CC(C)CC=NNc1ncnc(Cl)c1C(C)C 797405093 MLQOWLJZRNNPDS-UHFFFAOYSA-N 254.765 3.697 30 20 CHED CSCCON=C(C)c1ccc(Br)s1 794577662 YQJXLXQMBRPZEO-UHFFFAOYSA-N 294.239 3.614 30 20 CHED CC[C@@H](C)NN=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 790191165 UAUVHFIWWQEQHT-VXGBXAGGSA-N 277.368 3.537 30 20 CHED C#CCN(Cc1cccnc1Cl)C1CCCCC1 726970402 PBXGRPFVVWARAT-UHFFFAOYSA-N 262.784 3.503 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1cnoc1C 799464604 FYCGDBYNMXZHNV-UHFFFAOYSA-N 283.253 3.838 30 20 CHED C=C(C)CN(CC)Cc1cscc1Br 582353137 QFEZTGPHMQWCSL-UHFFFAOYSA-N 274.227 3.909 30 20 CHED C=CCCCCC[C@@H](C)NC[C@]1(N(C)C)CCSC1 793535998 USPLBALXRKWJEO-HZPDHXFCSA-N 284.513 3.538 30 20 CHED Cc1cc(C)cc(C[S@](=O)Cc2ccc(C#N)cc2)c1 78288895 ZQNKBWLPEOZFOM-FQEVSTJZSA-N 283.396 3.624 30 20 CHED CC[C@@H](C#N)OC(=O)c1sc2ccc(C#N)cc2c1C 796626375 RQEUWMYKGBKRGF-NSHDSACASA-N 284.340 3.540 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCC(CC)CC1 1301017005 DXYJEOQFKDDHPK-UHFFFAOYSA-N 296.846 3.780 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2Cc1ccc(C#N)cc1C 1307520631 YSYCIISFAORIMV-OAHLLOKOSA-N 292.382 3.963 30 20 CHED C=C(CNC(=O)N[C@@H](CC)C1CCCC1)c1ccccc1 1228274954 BPQVKNBBMWCOLO-KRWDZBQOSA-N 286.419 3.968 30 20 CHED N#CCOc1ccc(NC[C@@H]2C[C@H]2c2ccccc2)cc1 1319728745 CNWDNUFCMMURID-YJBOKZPZSA-N 278.355 3.805 30 20 CHED Cc1ccc(F)cc1OCCc1ccc(C#N)cc1 1166516747 CQOIOALQDZQPQM-UHFFFAOYSA-N 255.292 3.627 30 20 CHED CC1CCC(CNC(=O)Nc2cc(C#N)ccc2F)CC1 1310850408 FGDMDXGRLWIFHK-UHFFFAOYSA-N 289.354 3.645 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCCOc2ccccc2)C1 1321277271 OLIXQYYFIUBKFU-CVEARBPZSA-N 272.392 3.518 30 20 CHED CC(CC1CCC1)=NNc1ccc(C(C)(C)C)nn1 1323803792 ZMSDPLHDGCZMLL-UHFFFAOYSA-N 260.385 3.752 30 20 CHED C[C@@H](COCC1CCCCC1)N[C@@H](C)CC(C)(C)C#N 1183920075 UQZKFQFXAVGGLQ-GJZGRUSLSA-N 280.456 3.890 30 20 CHED CCc1ccc2c(c1)CCN(Cc1ccc(C#N)cc1F)C2 1184386960 FKCKKBNXQPVOGF-UHFFFAOYSA-N 294.373 3.818 30 20 CHED CCCCCC[C@H](C)CC(=O)N(CC)[C@@H](C)C#N 1331284341 ZBZJANOZENDZOC-KBPBESRZSA-N 252.402 3.744 30 20 CHED Cc1ccc(C)c(OC(=O)C2(c3cccc(C#N)c3)CC2)c1 1334242757 HZZIUMYMGZPQMN-UHFFFAOYSA-N 291.350 3.812 30 20 CHED CCCCCCc1nnc(COc2ccc(C#N)cc2)o1 1256362226 NRFZHPFDLTUFEU-UHFFFAOYSA-N 285.347 3.643 30 20 CHED N#Cc1ccc(F)c(NC(=O)C23CCC(CC2)CC3)c1 1337459864 DGKGCMQZAZJRLL-UHFFFAOYSA-N 272.323 3.606 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc(-c2cccs2)s1 1343368114 YELMKRHUGBSGOM-VIFPVBQESA-N 277.370 3.936 30 20 CHED C=CC[C@@H](OC(=O)CCc1cc(C)on1)c1ccccc1 1263471056 QVNURLYGSHLUNZ-MRXNPFEDSA-N 285.343 3.776 30 20 CHED C=C(CC)C(=O)N(Cc1ccc(F)cc1)CC1CC1 1347672122 VNMDQOJXOCQPIK-UHFFFAOYSA-N 261.340 3.531 30 20 CHED CC(=NNc1ccn(C)n1)c1ccc(-c2cccs2)cc1 1343528792 BABWGNIDLSGZKN-UHFFFAOYSA-N 296.399 3.985 30 20 CHED Cc1c(F)ccc2c1N(C(=O)c1cccc(C#N)c1)CCC2 1436839847 KJIFLQICMHVSMV-UHFFFAOYSA-N 294.329 3.599 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)cc1C#N 1525558224 VEYXMTGWSGPPOB-QEJZJMRPSA-N 284.403 3.811 30 20 CHED C[C@@H](CC(=O)N1CCc2cc(C#N)ccc21)CC(C)(C)C 1528212618 ZUASGUJIPKMNLS-ZDUSSCGKSA-N 284.403 3.910 30 20 CHED CCC1(CNC(=O)c2cccc(C#N)c2C)CCCCC1 1458697340 ZWPGPWWOHQDAFP-UHFFFAOYSA-N 284.403 3.957 30 20 CHED CC(C)(CCNC(=O)Nc1cc(F)cc(C#N)c1)C1CC1 1467152703 SZWPCNSVMCAKFO-UHFFFAOYSA-N 289.354 3.645 30 20 CHED CCCC[C@@H](SCCCC(C)(C)C#N)C(=O)O 1609967086 KUOCTOFZWQDSJB-LLVKDONJSA-N 257.399 3.693 30 20 CHED CO[C@H](CC(C)C)CN(Cc1ccc(C#N)cc1)C1CC1 1473305526 ZDEYJZBPVCMVRV-GOSISDBHSA-N 286.419 3.584 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncccc1C#N 1472883740 FVRYSIXQQYQWLV-WMLDXEAASA-N 277.371 3.726 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2/C=C/c2ccccc2)c(F)c1 1472892789 HLWUKCOWYDGYDV-ROJDOSBLSA-N 293.345 3.775 30 20 CHED CCSc1ccc(C(=O)Nc2cccc(CC#N)c2)cn1 1543578257 CXPNWMVEVHJBBD-UHFFFAOYSA-N 297.383 3.512 30 20 CHED Cc1ccc(F)c(CNc2cc(C#N)ccc2C)c1 227114206 DWQXZNKNSIVCFZ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(F)cc1C#N 1623180089 GPYOFOHSVHOQHD-RYUDHWBXSA-N 289.354 3.645 30 20 CHED CCO[C@@H]1C[C@H](Nc2ccc(C#N)c(C)n2)C1(CC)CC 1650800948 CYQHCDARIOJIAX-LSDHHAIUSA-N 287.407 3.657 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)c1ncc(C#N)cc1F 1655343690 DOOKRMNNUXYFKI-UHFFFAOYSA-N 293.704 3.521 30 20 CHED Cc1nnc([C@@H](C)Sc2ccc(C#N)cc2)s1 1652613690 ZMNIPNMGWIOSOZ-MRVPVSSYSA-N 261.375 3.572 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)cc2)CC1 1585598237 ZZBVWQYBFATYDY-NVXWUHKLSA-N 284.403 3.893 30 20 CHED CC[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H]1C 1650989826 RXFOCQLJTNPBSP-NXEZZACHSA-N 283.297 3.597 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)c2c1CCC2 1596936183 GEDPAPSMTDUDJZ-UHFFFAOYSA-N 294.329 3.747 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@@H](CC)c2ccccc2)C1 1776154598 MROSSHRDOKZTJL-WMZOPIPTSA-N 287.403 3.881 30 20 CHED Cc1cc(NN=Cc2ccc(C(=O)O)cc2)ccc1Cl 1776104386 DPDWPZOJQHMGTN-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC#CCOc1ccc(C2SCCS2)cc1OC 165795133 UFMFKXLAOKMBRQ-UHFFFAOYSA-N 280.414 3.576 30 20 CHED C=CCC(CC=C)C(=O)N1CCS[C@H]2CCCC[C@@H]21 151798103 AHPKFZMYKFWGQG-GJZGRUSLSA-N 279.449 3.641 30 20 CHED CCN(CC#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 152809346 KTODPSNCWFBQOL-AWEZNQCLSA-N 272.392 3.676 30 20 CHED C=CCOc1ccccc1C(=O)N1CCc2ccsc2C1 152698864 BXCHJYTUHFZFPI-UHFFFAOYSA-N 299.395 3.511 30 20 CHED CC1(C)C[C@@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 155563331 KDERNZABQWUQJI-GFCCVEGCSA-N 297.383 3.666 30 20 CHED C=C(C)CNC(=O)Nc1ccc(SC)c(Cl)c1 157542200 CSNRLMRHTQUZGV-UHFFFAOYSA-N 270.785 3.760 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1COc1ccccc1 156777191 KQHSBEXHDOUZOV-UHFFFAOYSA-N 296.370 3.915 30 20 CHED N#Cc1ccc(C(=O)CCc2ccc(C=S)cc2)cc1 253533048 IVYGDDNNMSTLPR-UHFFFAOYSA-N 279.364 3.722 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(C#N)cc1F 20362226 DQAQRCCCGGYZQE-UHFFFAOYSA-N 268.335 3.719 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 875295914 RDKRJWMKHGLGRK-UHFFFAOYSA-N 295.726 3.517 30 20 CHED N#Cc1cccc(CNCc2cc(F)cc(Cl)c2)c1 160893711 BYVWAJYSKOFAJN-UHFFFAOYSA-N 274.726 3.641 30 20 CHED COc1cccc2c1CC[C@H]2Nc1ccc(C#N)cc1 163248913 LWDUILIHHAFILZ-MRXNPFEDSA-N 264.328 3.666 30 20 CHED Cc1ccc(C#N)c(N[C@@H](C)c2cc(C)oc2C)n1 44730815 DFDGUQUZMJUJRX-NSHDSACASA-N 255.321 3.645 30 20 CHED Cc1cc(C)cc(C(=O)Nc2cc(C#N)ccc2C)c1 49489986 XTGYDLKXESBGTK-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CS[C@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 343698252 FTFXKYBOABJHDX-QWRGUYRKSA-N 281.812 3.693 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)C1CCCCC1 52338263 CQDGRXJDHRDZJJ-GFCCVEGCSA-N 260.356 3.756 30 20 CHED C=CC[C@H](C)N[C@@H]1CCSc2ccc(F)cc21 180953933 YGMGKDHTWDSMAI-GXFFZTMASA-N 251.370 3.917 30 20 CHED CCCCN(C(=O)Cc1ccc(C#N)cc1)[C@H](C)CC 70158796 LSDCVSLQXZCKGL-CQSZACIVSA-N 272.392 3.528 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C1=CCCC1 347864233 FWPIAQGKMSMMAY-UHFFFAOYSA-N 255.361 3.702 30 20 CHED N#Cc1cc(N2CCC(F)(F)CC2)ccc1C(F)(F)F 404799962 UVOJVVNEIDSDEJ-UHFFFAOYSA-N 290.235 3.813 30 20 CHED Cc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1Br 309719727 VMZCMQJGABXIMU-WDEREUQCSA-N 279.181 3.862 30 20 CHED C=CC1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 409445968 GTKNDYSKDDMFCH-INIZCTEOSA-N 263.425 3.766 30 20 CHED C=C(C)CN(Cc1ccccc1)CC1(SC)CC1 521317714 UCBIVUMBWOWFDE-UHFFFAOYSA-N 261.434 3.960 30 20 CHED C=CC(C)(C)C(=O)N(Cc1ccccc1)CC(C)C 459975670 WLGURCCKHJWTHF-UHFFFAOYSA-N 259.393 3.883 30 20 CHED C=C(CC)CN(Cc1ccccc1)C[C@@](C)(O)CC 439253051 ARYWDQLZDRMQMZ-KRWDZBQOSA-N 261.409 3.616 30 20 CHED Cc1nc(CNc2ccc(C#N)cc2Cl)c(C)s1 443455620 OJZVQCPWLQJSDP-UHFFFAOYSA-N 277.780 3.897 30 20 CHED C=C(C)CCNCc1c(C)nn(Cc2ccccc2)c1C 449478621 RZYZQZWPDWMYFX-UHFFFAOYSA-N 283.419 3.604 30 20 CHED CN(Cc1ccc(C#N)cc1F)[C@H]1CCC(C)(C)C1 355577045 CUYNJHOBRAGCRI-AWEZNQCLSA-N 260.356 3.708 30 20 CHED CC[C@H](CC#N)NCc1cscc1C(F)(F)F 356416004 POZMYMQWHIRXPT-SECBINFHSA-N 262.300 3.549 30 20 CHED C=C[C@H]1CCCCN1Cc1c(Cl)cccc1[N+](=O)[O-] 489399262 GLTMIIHNVZAGTH-NSHDSACASA-N 280.755 3.789 30 20 CHED CCc1cc(NC(=O)C2(C#N)CCCCC2)ccc1F 586874539 LRDNXEGVAIEFMS-UHFFFAOYSA-N 274.339 3.801 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccc(C#N)cc2F)c1 380185349 MGSSRIIGFVUMCP-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CS[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1Cl 593485179 OZUKHABTERWIKX-VXGBXAGGSA-N 281.812 3.693 30 20 CHED C=CCOCCN[C@H](C)c1ccc(C(C)(C)C)cc1 388537658 MQTGHBISZMIJOU-CQSZACIVSA-N 261.409 3.837 30 20 CHED C=CC[C@H](CC)Nc1ccnc2c([N+](=O)[O-])cccc12 393739553 CYPPZVDBWKBVEO-NSHDSACASA-N 271.320 3.910 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C=C1CCCC1 917657823 USOFRZLSXMYJRQ-UHFFFAOYSA-N 255.361 3.702 30 20 CHED N#Cc1ccccc1CSCc1ccc2c(c1)OCO2 7848865 QMUOTZAZYSYXKE-UHFFFAOYSA-N 283.352 3.720 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2cccc(CC#N)c2)c1 55896136 OXRDAFGCFKMSNO-UHFFFAOYSA-N 278.355 3.646 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(C)s2)c1 55714337 RVFAGGFLBHGIQP-UHFFFAOYSA-N 273.357 3.874 30 20 CHED CC(C)c1ccc(NC(=O)NCCCCC#N)cc1 170903054 YAKIMTYGALVJKI-UHFFFAOYSA-N 259.353 3.625 30 20 CHED C#CCCOc1ccc(CNCc2ccccc2C)cc1 113313945 ZAMQYOXUMLXVAE-UHFFFAOYSA-N 279.383 3.687 30 20 CHED CCc1cc2c(NCc3ccc(C#N)cc3)ncnc2s1 52356392 MTRNWKKJNWVQGA-UHFFFAOYSA-N 294.383 3.737 30 20 CHED C[C@H](CC#N)N(C)C(=O)C1=C(c2ccccc2)CCCC1 1262822838 LTBLJAJHAZMHHI-CQSZACIVSA-N 282.387 3.775 30 20 CHED C=CCCCC(=O)Nc1cc(-c2ccccc2)on1 175871311 XNRLLSSJGYNOFJ-UHFFFAOYSA-N 256.305 3.636 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(C)cc1F 176503237 DJSBXTDJKPZTSG-UHFFFAOYSA-N 290.382 3.926 30 20 CHED CCN(C(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1 174077281 QVPJAYJWKJBFGB-UHFFFAOYSA-N 290.775 3.940 30 20 CHED N#CCCCC[S@@](=O)Cc1ccccc1C(F)(F)F 172820623 JVYNXYAXYIULDK-LJQANCHMSA-N 289.322 3.648 30 20 CHED CC(C)(C(=O)OCC1(CC#N)CC1)c1ccc(Cl)cc1 174753500 PJGTUHOHZVCMKS-UHFFFAOYSA-N 291.778 3.855 30 20 CHED CC(C)c1nc(C[S@](=O)CCCC(C)(C)C#N)cs1 178024625 BFCCIWAUHDLZEL-LJQANCHMSA-N 298.477 3.845 30 20 CHED C[C@@H]1c2ccccc2CCN1c1ccc(C#N)cc1[N+](=O)[O-] 301476250 BCPNSQDHUOACBP-GFCCVEGCSA-N 293.326 3.590 30 20 CHED C=CCCCN(Cc1cccs1)C[C@@H]1CCCO1 117871320 RZDIQIQDTMKCOY-AWEZNQCLSA-N 265.422 3.695 30 20 CHED Cc1sccc1CN(CCC#N)Cc1ccco1 350183298 GBXXDUHVWGUFPT-UHFFFAOYSA-N 260.362 3.565 30 20 CHED N#C[C@@H](C(=O)CC1CCC1)c1nc(-c2ccncc2)cs1 174104339 AELAYNKLSZQQGT-ZDUSSCGKSA-N 297.383 3.572 30 20 CHED C=CCn1c(C)nnc1S[C@@H](C)c1cccc(C)c1 172903712 VMAKYJIMLSHSPW-LBPRGKRZSA-N 273.405 3.934 30 20 CHED C=CCC[C@@H](C)Nc1cccc(N=S(C)(C)=O)c1 1262113082 AZBFLGFYPRGWHO-GFCCVEGCSA-N 266.410 3.812 30 20 CHED CC(C)OC(=O)[C@H](C)C/N=C/c1c(O)ccc2ccccc12 173989513 ILSLTUZPTVFQQH-OTGIAGGSSA-N 299.370 3.552 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccccc2O)c1 303143865 DZLKCPZEJUMJLL-UHFFFAOYSA-N 283.327 3.599 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@H](C)[C@@H]2C)c1 175325396 LETAYLGWIAWCBZ-KBPBESRZSA-N 288.391 3.904 30 20 CHED C#CCCCCC(=O)N(CC=C)CC1CCCCC1 120137273 YZNMKWBJXIYJCW-UHFFFAOYSA-N 261.409 3.775 30 20 CHED CN(Cc1ccsc1)c1c(Cl)cccc1C#N 301330141 AMXHIYHOGOXCPB-UHFFFAOYSA-N 262.765 3.910 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)Cc1ccccc1C 125032075 PTJNJECVICNNTL-OAHLLOKOSA-N 271.404 3.811 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N[C@](C)(C#N)CCc1ccccc1 181068763 NSWVREAORLKGFU-RKVPGOIHSA-N 286.419 3.700 30 20 CHED C[C@H](CCc1cccc(F)c1)N(CC#N)C1CCCC1 183344132 CZXDJZZCWXMMGH-CQSZACIVSA-N 274.383 3.915 30 20 CHED Cc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C#N)cc1 79647967 GPLSIKLQRJELGZ-CYBMUJFWSA-N 296.395 3.986 30 20 CHED CCc1ccccc1CNc1cc(C#N)ccc1[N+](=O)[O-] 124811693 BKSKBWQHGCZILE-UHFFFAOYSA-N 281.315 3.641 30 20 CHED COc1ccc(Cl)c(CNc2ccc(F)c(C#N)c2)c1 479484777 CRUGEVAJYJZWTC-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 72614263 XFUGVZZMTZLCIG-VOTSOKGWSA-N 273.313 3.861 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(C)C)s1 410123953 VCLHJLUTKYTAFM-NSHDSACASA-N 251.395 3.956 30 20 CHED CCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1F 185728285 QTMIMJIIXRTMGR-VXGBXAGGSA-N 262.328 3.719 30 20 CHED CC[C@@H](CN(CC)C(=O)C(C)(C)C#N)c1ccccc1 187405878 CJEYBLMIGUPNFQ-AWEZNQCLSA-N 272.392 3.578 30 20 CHED N#CCOc1ccc(CN[C@@H]2CCC[C@@H](C3CC3)C2)cc1 180553800 ZDBBKXUIRBOZIV-IAGOWNOFSA-N 284.403 3.647 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)Oc2c(F)cccc21 185543228 OIWOPFBDLYULGN-LBPRGKRZSA-N 289.350 3.708 30 20 CHED C1CCCC(CON=C2CCC3(CC2)OCCO3)CC1 127901681 XCTGBGAXODHBDG-UHFFFAOYSA-N 281.396 3.647 30 20 CHED C=CCC[C@H](NC[C@@H](C)Oc1ccccc1OC)C1CC1 121419380 SMTYXENKYGQPNW-ZBFHGGJFSA-N 289.419 3.797 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)cc1SC 417217332 QRNOCJIPEBMCDA-UHFFFAOYSA-N 264.394 3.757 30 20 CHED COCCC[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1 414166033 MWOUXSOADAKCLA-MRXNPFEDSA-N 292.398 3.823 30 20 CHED C=C[C@@H](C)NCc1ccc(Cl)cc1Br 158608210 JDXWEWQHQGZLKM-MRVPVSSYSA-N 274.589 3.767 30 20 CHED COc1cccc(CNc2cccc(OCCCC#N)c2)c1 79724264 XSPYFPUVKNFTHA-UHFFFAOYSA-N 296.370 3.990 30 20 CHED C#CCCCNC(=O)c1c(-c2ccccc2)oc(C)c1C 187522865 WJIQXOAEXSEHEW-UHFFFAOYSA-N 281.355 3.707 30 20 CHED C=CCC1(C(=O)Nc2nnc(CCCC)s2)CCC1 189883277 PVSFSVPSSZEAGM-UHFFFAOYSA-N 279.409 3.566 30 20 CHED N#C[C@H]1CCC[C@H](NCCCCOc2ccc(F)cc2)C1 185775776 YLGSSAHMMPIKBO-HOCLYGCPSA-N 290.382 3.657 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N(CCC#N)C(C)(C)CC 189923774 SBOJYOKUORMROR-OLZOCXBDSA-N 252.402 3.599 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(C)oc1C 72633837 PTPVIRAXZYXGEX-UHFFFAOYSA-N 275.373 3.786 30 20 CHED N#C[C@H](C(=O)C1(c2ccc(Cl)cc2)CC1)c1ccccn1 78733383 YNYFAZLQMBOJGT-AWEZNQCLSA-N 296.757 3.643 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F 134010622 BDQXMMVJKTWNFZ-WFASDCNBSA-N 291.341 3.705 30 20 CHED CC(=O)c1ccc(C#N)c(NCC(C)(C)c2cccnc2)c1 413582583 GSPMNCRLMSLHEY-UHFFFAOYSA-N 293.370 3.546 30 20 CHED Cc1cc(C)cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 41545781 MSXCVYGGMBLOAS-CQSZACIVSA-N 290.322 3.935 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)CSC 413984818 IYHHAYQLJADHDQ-OAHLLOKOSA-N 291.460 3.679 30 20 CHED Cc1n[nH]c(C)c1/C=C1/C[C@H](C)c2ccccc2C1=O 131156558 WWUMYQZMNRIWIL-AVMBBCFPSA-N 266.344 3.800 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(C)c1Br 136282951 PCSLAQUCHSGYKR-ZDUSSCGKSA-N 295.180 3.636 30 20 CHED N#CCCCN1CCC[C@@H]1CCCc1ccccc1 135367308 FABYJFKVFBETFD-KRWDZBQOSA-N 256.393 3.777 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(C1CC1)C1(C#N)CCC1 410751531 XFUVKZCQYPGOIS-DZGCQCFKSA-N 274.408 3.640 30 20 CHED C[C@@H](CC1CCCCC1)C(O)=Nc1nncn1C1CC1 329120012 PNCCUFPUTKTMDM-NSHDSACASA-N 276.384 3.808 30 20 CHED C=C(Br)CNC(=O)Nc1c(C)cccc1CC 49299523 WINYFCOPUOLKLK-UHFFFAOYSA-N 297.196 3.588 30 20 CHED N#CCC1(COc2ccc(Br)cc2)CC1 88255535 MGMATAKXNRFFKP-UHFFFAOYSA-N 266.138 3.522 30 20 CHED C=CCNC(=O)Nc1ccccc1OCCc1ccccc1 44150354 JBQMMFXRKBQSRC-UHFFFAOYSA-N 296.370 3.616 30 20 CHED N#Cc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1 45027165 BMYDFAZCUJBVQJ-UHFFFAOYSA-N 277.327 3.691 30 20 CHED CC(C)CC1(C/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)CCC1 328904399 JGYNDGLMEDOYAO-STQMWFEESA-N 280.412 3.914 30 20 CHED C[C@@H](C(=O)Nc1ccccc1C#N)c1c(F)cccc1F 133829661 QZNNHOZDOWORHU-SNVBAGLBSA-N 286.281 3.579 30 20 CHED CCc1ncc(CN(C)[C@H](C)c2cccc(C#N)c2)s1 426625411 ZVLNVPIQNBMAQV-GFCCVEGCSA-N 285.416 3.770 30 20 CHED CCCCCCC[C@@H](C)NC[C@H](O)c1ccco1 136324444 SJVPPLKOFMMUHK-KGLIPLIRSA-N 253.386 3.652 30 20 CHED CC(C)c1nnc(C/N=C(/O)C[C@@H]2C[C@H]3CC[C@H]2C3)s1 329844153 PTFCGQONDLMZEN-SRVKXCTJSA-N 293.436 3.944 30 20 CHED CCn1nccc1N/C(O)=N/[C@H]1CCCCC12CCCC2 329609975 JESFWGIYHZZRSR-ZDUSSCGKSA-N 290.411 3.732 30 20 CHED Cc1ncc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)cn1 329049509 GTJUKVJAIPBOTA-NWANDNLSSA-N 273.380 3.980 30 20 CHED COc1ccc([N+](=O)[O-])cc1O[C@H](C)c1ccc(C#N)cc1 194624979 QGVIFFVEKALGNL-LLVKDONJSA-N 298.298 3.615 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C[C@H]2C=CCC2)n1 80455213 JDRDOWLOFASHKU-RYUDHWBXSA-N 274.389 3.799 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(F)c2Cl)C1 80335048 DKUZGODAZZSJKC-BMIGLBTASA-N 294.757 3.681 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2ccccc2OC(F)F)C1 193347032 WFDQEXLKKVBKMH-TZMCWYRMSA-N 294.345 3.502 30 20 CHED N#CCc1ccc(C(=O)N2CCSc3ccccc32)cc1 335896293 WXYZODJOFDPGMW-UHFFFAOYSA-N 294.379 3.505 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccccc1C(F)F 425700002 JKROYDDSIZEDDJ-UHFFFAOYSA-N 281.306 3.686 30 20 CHED Cc1ccc(NC(=O)N2CCC(CC#N)CC2)c(Cl)c1 334251460 VHVVRUZIUUQQIQ-UHFFFAOYSA-N 291.782 3.806 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(N2CCCCC2)cn1 424607647 LPGAFAAONUUWLT-UHFFFAOYSA-N 287.407 3.613 30 20 CHED C[C@@H]1CN([C@@H](C(=N)O)c2ccc(C#N)cc2)c2ccccc21 334641398 PJEUEPCTOXUYOU-SJKOYZFVSA-N 291.354 3.758 30 20 CHED CC(=O)c1c(C)cc(C)c(CN[C@H]2CCC[C@H]2C#N)c1C 330813810 FMZBDBTZVKCPQA-RDJZCZTQSA-N 284.403 3.596 30 20 CHED N#Cc1ccc(OCC(=O)c2ccc(Cl)cc2)c(F)c1 178343046 WDFJOYPGLSDCQH-UHFFFAOYSA-N 289.693 3.612 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@H](C)C1 332264202 FNJASMFWGTTWBU-NWDGAFQWSA-N 289.354 3.597 30 20 CHED CC(C)[C@@H](Nc1ccc(C#N)nc1)c1ccc(F)cc1 336918616 PEUMVPBTANKLLH-MRXNPFEDSA-N 269.323 3.902 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(F)c(F)c(F)c1 439579747 IPQMWDUVCVYDJN-MRVPVSSYSA-N 272.270 3.580 30 20 CHED C[C@@H]1CCC[C@H](Nc2nc(Cl)c(C#N)s2)C1 235374358 NRVWTEUXENWVOW-SFYZADRCSA-N 255.774 3.659 30 20 CHED CC(C)(C)c1cnc(N=C(O)[C@@H]2CCCOCC2)s1 330153195 XBMCBKGXJZUAAN-SNVBAGLBSA-N 282.409 3.845 30 20 CHED C=CCCOCCN[C@@H](C)c1cccc(-c2ccncc2)c1 90883806 QAXBAOYHRQDACN-INIZCTEOSA-N 296.414 3.992 30 20 CHED CC(C)[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 435802931 ZKJYEMKZQSXQHM-PBHICJAKSA-N 299.418 3.697 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)/N=C(/O)C2=CCOCC2)cc1 330823106 GMSGVUIGTDSMJG-MRXNPFEDSA-N 298.386 3.852 30 20 CHED N#Cc1ccc(-c2nc([C@H]3CCCS3)no2)cc1Cl 335999059 KMRAKBGDRLDZSH-LLVKDONJSA-N 291.763 3.830 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)c(C)c2)cc1 96766806 KQIKSPXVMPPBKB-XFFZJAGNSA-N 294.350 3.986 30 20 CHED CCC(CC)[C@@H](NC(=O)NCCCC#N)c1cccs1 345391207 MRPQSSWROVVFRH-CQSZACIVSA-N 293.436 3.828 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc(C#N)cs1)C2 437159847 MGDQDDOJRRMWGE-GHJWDPDVSA-N 288.416 3.564 30 20 CHED Cc1nc2c(OCc3ccc(C#N)cc3F)cccc2o1 340597917 VDTIGDHVJIKIFE-UHFFFAOYSA-N 282.274 3.726 30 20 CHED CC(C)N(C)Cc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 248730610 DEEFBHLKGGPTAU-APWZRJJASA-N 299.462 3.699 30 20 CHED CC(C)CCCS(=O)(=O)CCCCC(C)(C)C#N 435694627 XXHCGMWOVVNMKC-UHFFFAOYSA-N 273.442 3.557 30 20 CHED C=CCOCCCC(=O)N(C)C1CCC(C(C)C)CC1 432549436 KKLHIKDIQLVBKT-UHFFFAOYSA-N 281.440 3.642 30 20 CHED Cc1cc(NCc2c(C)c3ccccc3n2C)cc(C#N)n1 343076548 BCFASMDUPGQPMH-UHFFFAOYSA-N 290.370 3.674 30 20 CHED CCC1(CNC(=O)Nc2cccc(C#N)c2C)CCCC1 432267450 AATDEYFJPBYMAR-UHFFFAOYSA-N 285.391 3.959 30 20 CHED CCN(CC)c1ccc(C=Nc2ccc(O)cc2)c(O)c1 249840312 SIDRCSZRVYBXIA-UHFFFAOYSA-N 284.359 3.695 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c[nH]cc1-c1ccccc1 343773774 RDSMJGKVNJTHEI-CQSZACIVSA-N 268.360 3.766 30 20 CHED CCCN(C[C@H](O)c1ccc(C#N)cc1)c1ccccc1F 528634622 KZEYVPFFLDLMDR-SFHVURJKSA-N 298.361 3.647 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(OCCC(C)C)cc1 608815471 RBCZDMDMYFLWKB-OAHLLOKOSA-N 288.391 3.534 30 20 CHED CCC(CC)[C@@H](CCNCc1ccc(C#N)s1)OC 344824792 JZNGENVFQXYUBR-OAHLLOKOSA-N 280.437 3.551 30 20 CHED Cc1cc(Br)ccc1CNC[C@@H](C)CCC#N 602550523 KDOYBQDXSZQWDA-NSHDSACASA-N 295.224 3.787 30 20 CHED C[C@@H](CCC#N)CNC1CC(C)(c2ccccc2)C1 602536594 IDNONWHEHYMKCX-OOHWJJMZSA-N 256.393 3.636 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2C#N)c(F)c1 255917780 IOZAUYZZWWXBFZ-TWGQIWQCSA-N 281.286 3.602 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 522632837 VAFFUOJURFUIRR-CABCVRRESA-N 274.408 3.970 30 20 CHED Cc1c(C#N)cccc1C(=O)NC(C1CCC1)C1CCC1 343426237 ZPTHLQOCSKRLCO-UHFFFAOYSA-N 282.387 3.565 30 20 CHED COc1ccc(CN(C)C[C@H](C)CCC#N)cc1Cl 602692272 XITHCHOXQHLCJP-GFCCVEGCSA-N 280.799 3.720 30 20 CHED C[C@H](NCCc1ccc(F)cc1)c1ccc(C#N)cc1 19904062 YKACGPFKGSZBHA-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED CCc1c(N[C@@H]2CC[C@H](C#N)C2)cnn1C(CC)CC 442865884 VINFYWATESYFRG-QWHCGFSZSA-N 274.412 3.911 30 20 CHED C=CCC1(CNC2CCN(C(C)C)CC2)CCCC1 449602189 CGPYIYCUOPULHH-UHFFFAOYSA-N 264.457 3.585 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCc2ccc(F)cc21 526955081 ZWMCWRYKQQWSGV-HOCLYGCPSA-N 261.340 3.532 30 20 CHED CCC1CCC(CN[C@@H](C)CC2(C#N)CCOCC2)CC1 602550255 LBWQWAAUQVIEDF-GTPINHCMSA-N 292.467 3.891 30 20 CHED C[C@H](CCC#N)CN[C@H](CC(C)(C)C)C(F)(F)F 602598057 ADDXNOWXOOMTCY-GHMZBOCLSA-N 264.335 3.883 30 20 CHED CC[C@@H](CC#N)NCc1cccc2c(OC)cccc12 449244105 PTPLICCIBCUZDW-AWEZNQCLSA-N 268.360 3.630 30 20 CHED CCCOc1ccc(CNC[C@H](C)CCC#N)cc1 602515671 BHJOKXHIVYSVER-CQSZACIVSA-N 260.381 3.505 30 20 CHED Cc1ccc(N=Cc2ccccc2O)c2cccnc12 255205140 PVSSRQAZOIJUPL-UHFFFAOYSA-N 262.312 3.999 30 20 CHED C=CCN(C)C(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 441945613 LHTLJTCTNMWCOV-NSHDSACASA-N 293.436 3.698 30 20 CHED CCN(CCc1ccccc1)c1ccc(C#N)cc1[N+](=O)[O-] 603866377 VDRNPYUFWOQEHT-UHFFFAOYSA-N 295.342 3.535 30 20 CHED CC[C@H](C)[C@H](C)N(CCOc1cccc(C#N)c1)C1CC1 609204352 JBJAOCRPZCKKAG-GJZGRUSLSA-N 286.419 3.836 30 20 CHED CC(C)Oc1ccccc1[C@H](C)NCC1(CC#N)CC1 602802991 UHAIADJKNRPJLC-AWEZNQCLSA-N 272.392 3.818 30 20 CHED C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@@H](C)C1(F)F 600187402 YAKIGBKJNOAHLL-CHWSQXEVSA-N 298.377 3.600 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@@H]1CCCC[C@H]1C 533876727 QIKJVSHQRMSSNO-IJEWVQPXSA-N 264.413 3.647 30 20 CHED N#Cc1c(Cn2ccc(-c3ccccc3)n2)cn2ccccc12 356906021 LMHTVYNCBDOOAO-UHFFFAOYSA-N 298.349 3.723 30 20 CHED C=CC[C@H]1N(Cc2cc(OC)ccn2)CCCC1(C)C 444785390 XYEZTCZRNVMWHK-MRXNPFEDSA-N 274.408 3.657 30 20 CHED CC(C)N(CCC#N)Cc1cc2cc(F)ccc2o1 536638903 MTJMDYRMVLPORR-UHFFFAOYSA-N 260.312 3.696 30 20 CHED C=CCN(Cc1ccc(COC)o1)CC1CCCCC1 538729883 FSWMRSDOXVZUFC-UHFFFAOYSA-N 277.408 3.994 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 617782754 LYANWRQQBGMSHR-NSHDSACASA-N 281.758 3.907 30 20 CHED CC(C)CCN(CCC#N)CCCOc1cccc(C#N)c1 357266446 SHJZENIIHWKDJH-UHFFFAOYSA-N 299.418 3.589 30 20 CHED CC(C)[C@H](C#N)NC(=O)C(C)(C)c1ccc2ccccc2c1 613367893 ZDQVTGRBYRHHJK-KRWDZBQOSA-N 294.398 3.782 30 20 CHED N#C[C@H]1CC[C@H](NC2(c3ccc(F)cc3F)CCC2)C1 442875858 UMONANTVRXJEQR-AAEUAGOBSA-N 276.330 3.626 30 20 CHED Cc1ccc(CN2CCC[C@](C)(C#N)C2)cc1Cl 618606806 ZFVRXZYFTZYXLQ-OAHLLOKOSA-N 262.784 3.774 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CCC)C1CCC1 453204602 BZDOVEAUKVKPRT-XHSDSOJGSA-N 251.414 3.526 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 537185611 LFIHFMHUTJCGAT-KBPBESRZSA-N 285.391 3.663 30 20 CHED Cc1ccc(CCC(=O)N(C)Cc2cccc(C#N)c2)s1 352607397 TWNIJELVDFCKCO-UHFFFAOYSA-N 298.411 3.519 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3S2)C1 617787504 PVXOVJPJDZSWRT-CZUORRHYSA-N 287.428 3.518 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1sccc1C(C)C 611250526 KHKLEFYQSMPWLV-NSHDSACASA-N 264.394 3.540 30 20 CHED N#C[C@@]1(C(=O)NCCCC2CCCCC2)CC12CCCC2 448688373 BQGMKEDSJAVKIL-GOSISDBHSA-N 288.435 3.937 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)CC2=CCCCC2)c1 539924664 FVVUMKUMTIINQX-UHFFFAOYSA-N 295.386 3.962 30 20 CHED C=CCCS[C@H](C)C(=O)N(CC)C1CCCCC1 610088883 LGMRILLRECXLQL-CYBMUJFWSA-N 269.454 3.865 30 20 CHED COc1cccc(CC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 619673776 NJCFPCPSNXHGFC-QZTJIDSGSA-N 298.430 3.642 30 20 CHED CC#CCNC1(c2cccc(C(F)(F)F)c2)CCC1 537155483 ONIFFWBCNKMKFF-UHFFFAOYSA-N 267.294 3.698 30 20 CHED CC[C@@H](CC#N)NC/C(C)=C/c1ccccc1COC 352917377 WWICSHDEZDUJIQ-WKOYGUFESA-N 272.392 3.518 30 20 CHED CC(C)(C)Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 619673326 CQQXRGSBFPCAAT-LSDHHAIUSA-N 272.392 3.646 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H]1CCOC(C)(C)C1 453438995 VPUOKGGRFWIXRH-HUUCEWRRSA-N 253.430 3.916 30 20 CHED N#CCC[C@H](C#N)CN1CC[C@H]1c1ccc(Cl)cc1 267168910 HNVZPSAVMARHJA-DOMZBBRYSA-N 273.767 3.530 30 20 CHED CCN(CC)C[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 360830641 DNMUZKCFYVRPMP-HNAYVOBHSA-N 299.462 3.646 30 20 CHED N#CC1(CN[C@H](CC(F)(F)F)c2ccccc2)CCC1 450672601 HYTWSLBDBIZTMU-CYBMUJFWSA-N 282.309 3.964 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)CCC=C(C)C)OCC 452538945 DZBFZYLAZDFGAU-GJZGRUSLSA-N 267.413 3.609 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c(F)c2O)CCCC1 457287671 GTRBGDLZDJZBJQ-UHFFFAOYSA-N 281.302 3.745 30 20 CHED C=C(C)[C@@H](CC(=O)N(C(C)C)C1CCCC1)OCC 534417113 OCRUUCFLRRKYKG-OAHLLOKOSA-N 267.413 3.537 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CCCC1 450309440 SZAXZCSERYFJCF-HUUCEWRRSA-N 293.451 3.833 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 614222571 AZZLQOQKGRYQIL-WBVHZDCISA-N 288.366 3.755 30 20 CHED Cc1ccc(CN(C)C(=O)c2ccc(C#N)s2)cc1C 456949042 INHGFVUJMCTSNY-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cccc(C2CC2)c1)C1CC1 458904119 NDGZMMKCYOPDHP-ZDUSSCGKSA-N 284.403 3.985 30 20 CHED C=CCCCCCN(C)c1ncc(C(F)F)cn1 450350908 YHJLBIMLLHXXKA-UHFFFAOYSA-N 255.312 3.597 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1c1cc(C#N)ccn1 450603659 USWRYKXJUJFUQJ-CKEIUWERSA-N 277.371 3.724 30 20 CHED C=C[C@@H]1OCCC[C@H]1Nc1ccnc2cc(F)ccc12 450802554 HXQBDELYCKDWKE-ZBFHGGJFSA-N 272.323 3.519 30 20 CHED CCCCCCCCC(=O)N[C@H](CCO)c1ccco1 274545383 LNXJUNUDUVBYDJ-CQSZACIVSA-N 281.396 3.570 30 20 CHED C=CCC1(NC(=O)Nc2nnc(CC)s2)CCCCC1 454203516 RHIJBANCMNCMIM-UHFFFAOYSA-N 294.424 3.501 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 366717049 CPUZTIWDIJGSOH-LAQRGFTBSA-N 298.430 3.967 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cccc(-c2ccncc2)c1 453363065 QGYHJXHNAPGSGO-KXBFYZLASA-N 296.414 3.726 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cncc(Cl)c1C 457694271 CNZMNGYVPQRYHR-JTQLQIEISA-N 266.772 3.518 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](CC)CNc1ccccc1 452456684 CDJJXZDRNSAJSW-WMLDXEAASA-N 274.408 3.596 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cc1)[C@@H](O)c1ccccc1 279607230 FFIHQKKEUUKQAV-MOPGFXCFSA-N 294.398 3.550 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)c1nc(C(F)(F)F)cs1 278692422 FCNBEKAMUUHTOM-SSDOTTSWSA-N 298.293 3.602 30 20 CHED CCCOc1ccc(NC(=O)NCCCC#N)cc1Cl 273113195 CPFBSGYMVACASC-UHFFFAOYSA-N 295.770 3.554 30 20 CHED C/C(=C\c1ccccc1OC(F)F)CN1CC(C)(C#N)C1 459590008 IPJZFSGNEHRQQI-KPKJPENVSA-N 292.329 3.537 30 20 CHED Cc1ccc(OCCCN2CCC(CC#N)CC2)cc1C 543806466 DMQRLWVKZBLADE-UHFFFAOYSA-N 286.419 3.698 30 20 CHED C=CCC1(C(=O)N2CCC[C@]3(CCSC3)C2)CCCC1 456848797 UYLNJBCADDFHLX-INIZCTEOSA-N 293.476 3.869 30 20 CHED C=CCN(C(=O)c1cnc2ccccc2c1C)C(C)(C)C 622944195 IVAYLUZMFBMEMG-UHFFFAOYSA-N 282.387 3.970 30 20 CHED C=CC(C)(C)CCN[C@H](C)c1ccc2nc(O)oc2c1 624036944 FIUKEYABIIJWCR-LLVKDONJSA-N 274.364 3.786 30 20 CHED CC[C@@H](C)c1nc([C@H](C)Nc2cccc(F)c2C#N)n[nH]1 277480217 SLKWQKNSOHPNAP-ZJUUUORDSA-N 287.342 3.502 30 20 CHED CC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CCCC1 271032082 ZKLJDIACTKTEJO-ZDUSSCGKSA-N 276.767 3.601 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC(C)(C)C=C 455372599 VODJTUVAFQTIKH-UHFFFAOYSA-N 278.421 3.658 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C(C)(C)C)C1 544183973 RZQVMUIJMWUGRK-BBRMVZONSA-N 256.393 3.987 30 20 CHED N#Cc1ccc(SCC(=O)CCC2CCCC2)nc1 274092294 UJNORIJFPUTLDZ-UHFFFAOYSA-N 274.389 3.585 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC(C)=C(C)C1 460553248 XFXNOQRNFTYOSJ-UHFFFAOYSA-N 274.412 3.524 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC1(CCOCC)CCCC1 541381737 GXFNAQVKCLVTQR-OAHLLOKOSA-N 296.455 3.627 30 20 CHED CC[C@H](C(=O)N1CCC(CC#N)CC1)C1CCC(C)CC1 547308853 QCVKPGGBOWSBKW-PREGVCBESA-N 290.451 3.991 30 20 CHED Cc1ccccc1[C@H]1CCCN1c1nccc(C)c1C#N 541279167 VKLULCVCRUPOCK-QGZVFWFLSA-N 277.371 3.912 30 20 CHED CC[C@@H](CC#N)NCc1ccc(N(C)c2ccccc2)nc1 281114697 WKZWTRDCXPZYOO-INIZCTEOSA-N 294.402 3.631 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H]2CCCC2(C)C)cc1 557061165 DTALDDFPTZBECJ-INIZCTEOSA-N 287.403 3.694 30 20 CHED Cc1coc(C)c1C(=O)Nc1cccc(OCCCC#N)c1 284181888 XZYZNCYCVVESKH-UHFFFAOYSA-N 298.342 3.831 30 20 CHED CCC[C@@H](C#N)NC(=O)c1sc2ccc(C#N)cc2c1C 559375726 CTLQTMGZGRKCLA-LBPRGKRZSA-N 297.383 3.503 30 20 CHED Cc1cc(C)cc(CCC(=O)N(C2CC2)C2(C#N)CCC2)c1 551285622 HVLOZGFMTKSUQL-UHFFFAOYSA-N 296.414 3.673 30 20 CHED CC[C@](C)(C#N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 285639489 XQFHEJBFZGPWSX-QGZVFWFLSA-N 288.366 3.504 30 20 CHED C=CC[C@H](CC)N[C@@H](C)CC(=O)Nc1ccccc1CC 281547398 IZKOVVKQLKDGTN-HOCLYGCPSA-N 288.435 3.910 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC=C)Cc1ccccc1 466378725 QZDQZFRWCABMHF-INIZCTEOSA-N 272.392 3.739 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C1C2CC3CC(C2)CC1C3 464300531 OPCDEDOOJZYOSQ-ZNDRLCQBSA-N 288.435 3.503 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H]2C=CCCCCC2)n1 550012402 RHZYQAYFGVYDGC-ZDUSSCGKSA-N 273.405 3.946 30 20 CHED CC(C)(CCC#N)CN[C@H]1C[C@H](c2cccc(F)c2)C1 280649095 OBLYETJPBCYONI-KOMQPUFPSA-N 274.383 3.991 30 20 CHED CCCCCCCC(=O)N(Cc1ccccc1)[C@H](C)CO 1343575048 CZXGTBHNPOLALZ-MRXNPFEDSA-N 291.435 3.757 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H]2CCC[C@H](C)C2)cc1 552584452 GWVWEFZCNOUKBW-GOEBONIOSA-N 287.403 3.694 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@H]1c1cccc(C)c1C 290500924 VRMJXAWKKFCBIW-KRWDZBQOSA-N 296.418 3.731 30 20 CHED C=C(C)CS(=O)(=O)N(C)[C@@H](c1ccccc1C)C(C)C 477582355 VSSPUWBVSVREIG-MRXNPFEDSA-N 295.448 3.530 30 20 CHED CCC(=NN[C@H]1CCSC1)c1cc(Cl)ccc1OC 808003098 TXSZKMSMTNPZMC-NSHDSACASA-N 298.839 3.558 30 20 CHED C=CCCCCN1CCC(n2c(O)nc3ccccc32)CC1 565344658 FKWIUFSKOOSOQN-UHFFFAOYSA-N 299.418 3.735 30 20 CHED C#Cc1ccc(CN(CC=C)Cc2cccc(C#N)c2)cc1 809551990 DVLHKHCIFIPJQZ-UHFFFAOYSA-N 286.378 3.728 30 20 CHED C[C@](C#N)(NC(=O)CCCc1ccccc1)C1CCCCC1 568800001 GVXSASNFEZGILJ-LJQANCHMSA-N 298.430 3.988 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC(C)C)c1ccc(OC)cc1 647295957 ZMUHPHJKIOHJMP-CRAIPNDOSA-N 291.435 3.557 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(Cl)c1OC 299070432 JWAXLTGOZZOTOH-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809917740 PPACAUUZHSJSHD-SECBINFHSA-N 297.742 3.724 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1cccc(N2CCCC2)c1 298739059 BVEDWIAXNXICAC-HUUCEWRRSA-N 271.408 3.630 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 471702088 LWDWGWFFZRKABG-LJISPDSOSA-N 287.403 3.979 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccc2nccn12 475280707 OSBHSZWWQRRIDW-UHFFFAOYSA-N 291.398 3.913 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(C#N)cc2)C1 298776548 VYQMJJZTAMCVQY-MAUKXSAKSA-N 282.387 3.599 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl 806266007 UJZCMOGPGOHJDE-ZETCQYMHSA-N 290.672 3.502 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1cccc(Cl)c1 292272448 RHIWRHJUINUMLW-UHFFFAOYSA-N 265.784 3.901 30 20 CHED Oc1ccc(Cl)cc1/C=N/C[C@H]1CCCSC1 806551386 KPOSNCQMWWNLKH-XBLUXWHVSA-N 269.797 3.608 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 642003744 JIFFOUBTQIEBLG-GRDNDAEWSA-N 287.403 3.806 30 20 CHED C#CCON=Cc1ccc(-c2ccccc2F)s1 812234034 MQWQZWCASFPCDV-UHFFFAOYSA-N 259.305 3.538 30 20 CHED C=CC[C@@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccncc1 815622810 GCOHWMPDPICIEB-YQEWQEHLSA-N 284.403 3.641 30 20 CHED C#CCCCCC(=O)N1CCC(C)(CC(C)C)CC1 811532097 KGADWASGHSQRMX-UHFFFAOYSA-N 263.425 3.855 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCOC1(C)C 814896427 XOIXUKNQLZXROH-UHFFFAOYSA-N 269.348 3.510 30 20 CHED C#CCOCSc1nc(-c2ccc(F)cc2)cs1 814717945 XHEVQWWFUJXKEP-UHFFFAOYSA-N 279.361 3.649 30 20 CHED Oc1cccc(C=Nc2ccc(-c3ccccn3)cc2)c1O 811625089 CQWKLDNACVCUNF-UHFFFAOYSA-N 290.322 3.910 30 20 CHED Cc1ccc2nc(C(=O)O[C@H](C)C(C)(C)C#N)ccc2c1 815993256 MCJIDNGPHPLSAV-GFCCVEGCSA-N 282.343 3.638 30 20 CHED C/C(=C\C(=O)N[C@@]1(C#N)CC1(C)C)c1ccccc1Cl 813302516 ALXSDXUVODZBQO-YCABEKBOSA-N 288.778 3.552 30 20 CHED C=CCCCCCCCNC(=O)NCc1ncccc1C 811912561 DJKBLQLTVZMIRI-UHFFFAOYSA-N 289.423 3.716 30 20 CHED C[C@H]1CC(=NOC/C=C/Cl)CCN1Cc1ccccc1 811671133 AIJBSZGNXOEFOD-FERLRNGMSA-N 292.810 3.796 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1NC1CCC1 652788310 UVAUHELJFWMLGP-CYBMUJFWSA-N 288.391 3.571 30 20 CHED C=CCCN[C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 658115311 UNORCKRFVXTOBE-OTWHNJEPSA-N 284.447 3.595 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(CC(C)C)CC1 815799405 RKEBRKPFKFESEX-UHFFFAOYSA-N 251.414 3.873 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc2[nH]ccc2c1 488817379 OIJRUWSQIBPSOE-MRXNPFEDSA-N 282.387 3.668 30 20 CHED Cc1cccc([C@H](Nc2cc(C#N)ncn2)C(C)(C)C)c1 579068228 FGULQZKKMHVTPZ-INIZCTEOSA-N 280.375 3.856 30 20 CHED C=CCOc1ccc(C(=O)N(CCC)C(C)C)cc1 654040808 WAJYJSKVHPBOBB-UHFFFAOYSA-N 261.365 3.512 30 20 CHED c1ccc(OCCCNN=C2CC(c3ccccc3)C2)cc1 814838425 MZASDIGHMIBUOI-UHFFFAOYSA-N 294.398 3.979 30 20 CHED FC(F)Oc1ccc(NN=Cc2cccnc2Cl)cc1 814828774 RKPKCXYLVNCFRY-UHFFFAOYSA-N 297.692 3.782 30 20 CHED CC(C)c1nc(C=NOC/C=C\Cl)c2ccccn12 811671718 KDRQLOKNKCYQMS-DUBOVKANSA-N 277.755 3.561 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(C)c1ccccc1C#N 483872373 OMPPYKHQGVMGPC-UKRRQHHQSA-N 270.376 3.737 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc([C@@H](C)CC)cc1 814136304 ADFTYXVOAZILQQ-AWEZNQCLSA-N 270.376 3.742 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1F 727639643 OHOUIRLMGBYCTD-LBPRGKRZSA-N 283.302 3.924 30 20 CHED c1ccc(CN2[C@H]3CC[C@@H]2CC(=NOCC2CC2)C3)cc1 814245166 UCLLQMPEVPUTKN-HDICACEKSA-N 284.403 3.596 30 20 CHED CCN(Cc1c[nH]c2ccccc12)c1ccc(C#N)c(C)n1 487764723 WIKJNXMGCJKCSL-UHFFFAOYSA-N 290.370 3.770 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)CCC 652101012 GXHAUAYSFVQXEV-UHFFFAOYSA-N 293.407 3.503 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(F)c(C)c1 728822934 WHAVZCVNZFLWSJ-UHFFFAOYSA-N 299.320 3.549 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(Cl)nc1C 823073587 JJJWXQDRBSARDV-UHFFFAOYSA-N 281.787 3.910 30 20 CHED CCN(Cc1ccc(C#N)cn1)c1cc(C)cc(C)c1 575193169 HKWVSXNGBDJHNI-UHFFFAOYSA-N 265.360 3.597 30 20 CHED C[C@@]1(COc2cc(F)cc(C#N)c2)CC1(Cl)Cl 829602455 VMUVWDGETQITPK-NSHDSACASA-N 274.122 3.660 30 20 CHED Cc1csc(SCc2ccc(OCC#N)cc2)n1 729241385 YNBDGELNQGWASE-UHFFFAOYSA-N 276.386 3.646 30 20 CHED CC#CCCNC(=O)Nc1ccccc1Cc1ccccc1 497671915 ZZQPYGOUUMCXGU-UHFFFAOYSA-N 292.382 3.812 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1ccccc1C 727258761 SXQMRLVVUYMTHG-UHFFFAOYSA-N 276.343 3.774 30 20 CHED Oc1ccccc1/C=N/C1CC(c2ccccc2)C1 728226504 RDMMWKXMPCUKCW-LDADJPATSA-N 251.329 3.757 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1C(C)C 571449660 CVTBKTWQBBJKRH-UONOGXRCSA-N 276.428 3.602 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2F)ccc1O 728231665 MZJMNGBNLOLPQI-RMKNXTFCSA-N 256.276 3.736 30 20 CHED C=CCN(CCc1ccco1)C(=O)CC(C)(C)CC 490242359 IUIKUFUSYONBND-UHFFFAOYSA-N 263.381 3.663 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1CCCCS1)c1ccccc1 490200315 ILXJXTKHCNDPIN-JKSUJKDBSA-N 289.444 3.748 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)OCC(C)(C)C#N 820557599 SIIGXVOUCKCILW-CQSZACIVSA-N 273.376 3.657 30 20 CHED C=CCCC(=O)Nc1ccccc1SC(F)F 726497820 CRNUSUAAEFVPKO-UHFFFAOYSA-N 257.305 3.906 30 20 CHED Cc1cccc2c(C(=O)OC3(CC#N)CCC3)coc12 821006067 LWWJODOTXIFWEF-UHFFFAOYSA-N 269.300 3.734 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1CC)c1ccncc1 825857906 COTXAMPJSKUTGH-IMJJTQAJSA-N 272.392 3.641 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](c1cccs1)C(C)(C)CO 824469356 YJJQCCOWVCBXJU-SWLSCSKDSA-N 295.448 3.526 30 20 CHED N#CCCCCCC(=O)N1CC2(CCC2)c2ccccc21 588165183 DDAJDQHMMJRUAV-UHFFFAOYSA-N 282.387 3.929 30 20 CHED C=CCCCCCN(C)Cn1nc2ccccn2c1=S 739884610 JFHFYOIWSQKCBV-UHFFFAOYSA-N 290.436 3.501 30 20 CHED C=C[C@H](CC(=O)N(O)Cc1ccc(F)cc1)c1ccccc1 901371442 BYRUGMRUVDEIBS-OAHLLOKOSA-N 299.345 3.903 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](CC)C1CC1 661865516 UGTKBCSWZIXHGH-QGZVFWFLSA-N 286.419 3.963 30 20 CHED CCCc1ccc(/C=C2\C(=O)c3nccn3[C@@H]2C)s1 901565745 NWIKFJUAEDAJAK-PEHNMLCRSA-N 272.373 3.738 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)C#CC1CC1 837411606 FRJKHUBQFBYZBH-QGZVFWFLSA-N 269.388 3.612 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(F)c1)C2 730949064 QUBJYGRXQCYTPW-RIYZIHGNSA-N 252.288 3.957 30 20 CHED C[C@]12C[C@@H]1CCCC2=NNc1ccc(C(=O)O)c(F)c1 835009166 OVIQSPBLKXKWLX-VFZGTOFNSA-N 276.311 3.502 30 20 CHED Cc1cccc(C=NNc2oc(C(C)C)nc2C#N)c1C 731153132 BOPWMJHYVJCBAK-UHFFFAOYSA-N 282.347 3.733 30 20 CHED O=C(/C=C\c1cccc(C(=O)O)c1Cl)c1ccco1 588559678 WYLBLVVWZSSORI-SREVYHEPSA-N 276.675 3.527 30 20 CHED CCCCCCCC[C@H](N)c1nc(-c2ncoc2C)no1 904706888 FUBSVYICIPURGC-LBPRGKRZSA-N 292.383 3.783 30 20 CHED Cc1cc(C)cc(NN=Cc2sc(C)nc2C)c1 736427158 KWCHNNANXLEANU-UHFFFAOYSA-N 259.378 3.823 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N(C)C2 909769085 XIISWKCPMYQKHP-IXDOHACOSA-N 294.483 3.584 30 20 CHED CS[C@H]1CCCC(=NNc2cnnc3ccccc23)C1 901196438 OLMSGRXZIKOQLX-LBPRGKRZSA-N 286.404 3.703 30 20 CHED Cc1ccccc1C[C@H](C)NC(=O)CCCCCC#N 588151885 MVIOHBVROLXVKR-HNNXBMFYSA-N 272.392 3.516 30 20 CHED Cc1cccc(Cl)c1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839448706 JKDFWVPGXJDZBR-NWDGAFQWSA-N 277.751 3.888 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(C#N)n2)CC1 589460137 DZPQAIYGNWYKTL-UONOGXRCSA-N 299.418 3.678 30 20 CHED C#CCOc1cccc(NC(=O)C[C@H](C)c2ccccc2)c1 730978601 WSMVWWUXLLMZQU-HNNXBMFYSA-N 293.366 3.831 30 20 CHED CCc1c(C(C)=NNc2cnccn2)oc2ccc(C)cc12 912962093 SDODVPDCZQRKRK-UHFFFAOYSA-N 294.358 3.930 30 20 CHED C=CCOc1ccc(CNC(=O)C(C)(CC)CC)cc1 672057596 DAPGTBZGJRCVOF-UHFFFAOYSA-N 275.392 3.694 30 20 CHED CCc1ccccc1NN=C(C)c1cc(OC)ccc1O 915051267 BHURBMPQOYLKRS-UHFFFAOYSA-N 284.359 3.799 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CC1CCC1 744024688 YFLGRYUEZVWBGQ-UHFFFAOYSA-N 260.333 3.519 30 20 CHED CCCC[C@@H](CCC)NC(=O)N1CCC[C@H](CC#N)C1 595536268 XLNSAYGHCCHMDN-HUUCEWRRSA-N 279.428 3.681 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccnn2CC2CC2)c1C 849245378 QMSYQEBKIIXNCJ-HJWRWDBZSA-N 280.371 3.806 30 20 CHED Cc1ccsc1C=NNC(=S)Nc1ccccc1F 915921376 SKTZFPFXZHXEKL-UHFFFAOYSA-N 293.392 3.516 30 20 CHED CC1CC(CNCc2cccc(OCCCC#N)c2)C1 598648391 ORJSLKUMMSWIQI-UHFFFAOYSA-N 272.392 3.505 30 20 CHED C=CCC[C@H](O)CN1CCc2ccccc2[C@@H]1C(C)C 675643406 INVTUAOUYCUXQI-WMZOPIPTSA-N 273.420 3.569 30 20 CHED CC[C@H](C#N)C(=O)NC1(c2cccc(Cl)c2)CCCC1 593535341 XLYXEKLNFWMVOT-GFCCVEGCSA-N 290.794 3.775 30 20 CHED CCCN(Cc1ccc(C)cc1)C[C@H](O)CC(C)(C)C#N 598584408 LPUPUHVTNRBSFW-QGZVFWFLSA-N 288.435 3.508 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccc(Cl)cc1)C(C)C 844324166 TVGITIRHDHMZAU-GFCCVEGCSA-N 265.784 3.867 30 20 CHED Cc1ccc(CN(C)CCc2ccc(C#N)cc2)s1 595309301 QOFMYFDQJMHWKD-UHFFFAOYSA-N 270.401 3.603 30 20 CHED N#Cc1csc(C=NNc2ncc(Cl)cc2Cl)c1 748076398 PXJQVGWCASDKPW-UHFFFAOYSA-N 297.170 3.768 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)CCc2c(O)cccc21 742435693 XBILJDAKACEAOS-LUAWRHEFSA-N 286.277 3.883 30 20 CHED C=CCCNC(=S)Nc1cccc(Cl)c1C 849278284 WEWVMZWBESCFSK-UHFFFAOYSA-N 254.786 3.511 30 20 CHED C[C@H](SCC1(CC#N)CC1)c1cn(-c2ccccc2)nn1 596345450 KTJPUQFRYXZANZ-ZDUSSCGKSA-N 298.415 3.755 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 599225531 BQHXMZMXPSAJDQ-RVSPLBMKSA-N 268.360 3.632 30 20 CHED N#CCc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)s1 592983704 ICPCDCHVPGVOMH-CQSZACIVSA-N 285.368 3.649 30 20 CHED Cc1cc(COC(=O)C2(C#N)CCCCC2)cc(Cl)n1 840218980 SKKNUXMCLKCIDO-UHFFFAOYSA-N 292.766 3.561 30 20 CHED COCc1ccccc1/C=C(\C)CN1CCC[C@H](CC#N)C1 597175319 AVKJEMXREXWMFO-NWNNTGRJSA-N 298.430 3.862 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2cccs2)cn1 840712542 JFRYQBZXZNJYOW-VOTSOKGWSA-N 272.373 3.732 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)c1cnccc1C)c1ccccc1 681741051 HITOJDCZQIKOAZ-DOTOQJQBSA-N 294.398 3.927 30 20 CHED C=CCCSCc1nnc(-c2cccc(F)c2)o1 742971520 QQAFKTDVFHZQQI-UHFFFAOYSA-N 264.325 3.685 30 20 CHED Cc1ccccc1OCCCON=Cc1ccc(F)cc1 742575564 JIDACSZREAKPNP-UHFFFAOYSA-N 287.334 3.954 30 20 CHED CCCCCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842937619 HFHYXEUOFLBMGO-LLVKDONJSA-N 262.378 3.777 30 20 CHED Cc1nc(Cl)cc(NN=C/C=C/c2ccc(F)cc2)n1 747764491 PFKLMTMXPHYJHL-XASBNCOSSA-N 290.729 3.689 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H]1c1cccc(F)c1 748832339 GHWSTWPAMXBFED-QGZVFWFLSA-N 284.309 3.783 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 598858313 MJBMVWYPCVAMJY-UHIISALHSA-N 285.391 3.581 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC 595038086 GJCQNDQYGNNYFT-RYUDHWBXSA-N 278.352 3.609 30 20 CHED Cc1ccccc1C=NNc1oc(C(C)(C)C)nc1C#N 746498646 ZXVKEZGOPXVGIZ-UHFFFAOYSA-N 282.347 3.598 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(C)(C)C)C1 594003963 JUGMXSXVNNHSMU-WMLDXEAASA-N 298.430 3.631 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 748994694 RUSUYAKQTHKBCR-GQCTYLIASA-N 288.690 3.539 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1cnn(-c2ccccc2)c1 746346551 FNECSWMJTNRXMV-KTKRTIGZSA-N 292.313 3.908 30 20 CHED COCc1ccc(C=NNc2ccc(F)cc2F)cc1 741759956 PLRXTWPUGYKVDB-UHFFFAOYSA-N 276.286 3.557 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1\Cc2c(F)cccc2C1=O 921263397 CPMFRFXFKHXPDQ-JXMROGBWSA-N 284.334 3.669 30 20 CHED O=C(C#Cc1ccccc1)Nc1cnccc1-c1ccccc1 759701570 PTEPKVQBSADMTG-UHFFFAOYSA-N 298.345 3.739 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1c(C)nn(CC)c1C 920927825 RZAIKASGFPKBOF-QXMHVHEDSA-N 298.386 3.815 30 20 CHED C=CCCOC(=O)c1ccccc1CCC(F)(F)F 758925587 DNMQBJANRSMASG-UHFFFAOYSA-N 272.266 3.914 30 20 CHED Cc1ccc([C@H](NCC2(C#N)CCC2)c2cccnc2)cc1 926628541 WWVGGQBIVSXEDB-SFHVURJKSA-N 291.398 3.763 30 20 CHED N#Cc1cc(COC(=O)CCC2CCCC2)ccc1F 758913558 XYOAYQDVMJSWLV-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C#CC[C@@H](NC(=O)C[C@H](C)CCC)c1ccccc1 757599503 MYGZIEKAHAJACE-GDBMZVCRSA-N 257.377 3.694 30 20 CHED CCCCCCCCCCNC(=O)N[C@H]1CC[C@H](O)CC1 753106583 SLCYTFQXBJANBA-WKILWMFISA-N 298.471 3.730 30 20 CHED CC(C)n1cc2c(n1)[C@H](N[C@H](C)CC(C)(C)C#N)CCC2 926183361 MGPZYNRLNQJXGV-UKRRQHHQSA-N 288.439 3.759 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1ncc(Cl)cn1 857220917 QHBDASARXLSOAC-JTQLQIEISA-N 286.766 3.762 30 20 CHED CCCCCCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C 858113466 SJHXTXIVXYDHAB-NWDGAFQWSA-N 294.361 3.939 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N2CCC[C@@H](CC#N)C2)cc1C 855259404 JXCCUUXRHVTCLZ-LXXRFIIISA-N 296.414 3.777 30 20 CHED Cc1ccc(OC(=O)CC2(C#N)CCCCC2)cc1F 851002459 QJGOVXVZHLORBF-UHFFFAOYSA-N 275.323 3.904 30 20 CHED CC(=NN(C)[C@H](C)CO)[C@H](C)c1ccc(CC(C)C)cc1 853365927 AJCXRGYOAWZKRY-CABCVRRESA-N 290.451 3.677 30 20 CHED C#CCC1(C(=O)Nc2ccc(O)cc2Cl)CCCCC1 855137284 OAEZSQOOHGEZNP-UHFFFAOYSA-N 291.778 3.958 30 20 CHED N#C[C@@H]1CCCN(CCCSCc2ccccc2)C1 932152601 KPKNGJPNBBDTAH-INIZCTEOSA-N 274.433 3.545 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(NC(C)=O)ccc1Cl 930464643 GKMUWWWBEQWTQS-LLVKDONJSA-N 294.782 3.839 30 20 CHED CN(C(=O)/C=C/Sc1ccccc1)c1ccccc1C#N 752820564 ZVGWWNQGJUQJSD-VAWYXSNFSA-N 294.379 3.827 30 20 CHED CCC(CC)CN(CC)C(=O)Nc1cccc(C#N)c1 48682941 CHPFVSOGYQTEIW-UHFFFAOYSA-N 273.380 3.848 30 20 CHED C#CCOc1ccccc1-c1noc(/C=C(\C)C2CC2)n1 761990328 UGLMVKRUMBMQKS-VAWYXSNFSA-N 280.327 3.562 30 20 CHED C=CC[C@H](N[C@H](C)c1cnn(C(C)C)c1)c1ccncc1 766022441 VZNXBLCWXQWCIT-PBHICJAKSA-N 284.407 3.827 30 20 CHED C#C[C@H](OC(=O)c1cn(C(C)C)nc1C)c1ccc(C)cc1 860960983 FFFGWACCJMDRNU-KRWDZBQOSA-N 296.370 3.612 30 20 CHED CC(=NNc1ncc(F)cn1)c1cc(Cl)ccc1Cl 760246500 CDGORSPDIZLPIS-UHFFFAOYSA-N 299.136 3.759 30 20 CHED C#CCOc1ccccc1-c1noc(C2(CCC)CC2)n1 761991543 MZLLHCKGOBTSQF-UHFFFAOYSA-N 282.343 3.580 30 20 CHED C/C=C(/C=C\C(=O)N[C@@H](C)c1cccc(C#N)c1)CC 765731911 SUGKKBOGDTYXGJ-OVGQBBGFSA-N 268.360 3.648 30 20 CHED C#CCCCOc1ccc2cc(C(C)=O)ccc2c1 766291538 AIDVACXCRWOAKT-UHFFFAOYSA-N 252.313 3.835 30 20 CHED C#C[C@@H](OC(=O)[C@@H]1CC=CCC1)c1ccc(C)cc1 860965813 QYSVJAGXLJDXFF-HZPDHXFCSA-N 254.329 3.569 30 20 CHED Cc1cc(C=NNc2nc(C(F)(F)F)cs2)c(C)o1 767900156 FRCRPKDERKHMJZ-UHFFFAOYSA-N 289.282 3.818 30 20 CHED C=CCn1cnnc1S[C@H](C)CCc1ccccc1 1115862454 RFGLLVNZFSWEPI-CYBMUJFWSA-N 273.405 3.578 30 20 CHED C#CCOc1ccccc1-c1noc(-c2cc(C)oc2C)n1 761996403 WLIDEFPLIGLEDN-UHFFFAOYSA-N 294.310 3.625 30 20 CHED C(=NNc1cccc2ccccc12)c1cncs1 767780864 XZWFCAOCFBKOIX-UHFFFAOYSA-N 253.330 3.742 30 20 CHED CC(=NNCCOC(C)C)c1cccc(Cl)c1Cl 778550968 GSFXOHGBFGDAKC-UHFFFAOYSA-N 289.206 3.732 30 20 CHED COc1ccc(Cl)cc1/C=C\C(=O)c1cscn1 776193777 VCCBMTCNZKOLEF-RQOWECAXSA-N 279.748 3.701 30 20 CHED CCOCCON=Cc1ccc(-c2ccc(Cl)cc2)o1 774417590 OREMGKPDFOPVPS-UHFFFAOYSA-N 293.750 3.987 30 20 CHED CC(C)[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2O)CCO1 771521674 VCYPXEUNJCMPJW-NXLQUEFTSA-N 281.783 3.668 30 20 CHED C#CCCCCCC(=O)N(C)C[C@H](C)c1ccccc1 779902428 QNMWESXYAVGBCA-INIZCTEOSA-N 271.404 3.832 30 20 CHED Cc1cccc(C(=O)OCc2cccc(C#N)c2F)c1C 774884217 USFPKZWHFFNVNZ-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC(Cc1ccsc1)=NNc1ccc2[nH]ncc2c1 779817195 OHPXBDPUYPXNTB-UHFFFAOYSA-N 270.361 3.655 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1nc(-c2ccncc2)no1 773206626 ICEGSOXYZRYMHP-GXTWGEPZSA-N 297.362 3.522 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccc(C)nc1C 772987503 JCMGKELPPDMVNI-HNNXBMFYSA-N 294.398 3.561 30 20 CHED C#CCCN[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 775253155 OYGSEZFEHMWIQR-IBGZPJMESA-N 297.373 3.731 30 20 CHED C[C@H](COc1ccccc1)Nc1c(F)cc(C#N)cc1F 774523055 FMIHHCXGIJZQFO-LLVKDONJSA-N 288.297 3.716 30 20 CHED C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 881323286 FLSXHJKHVHBCQT-ARFHVFGLSA-N 293.451 3.521 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2csc(Cl)c2)c1 787185672 IJKKCZDYPCWKHB-IHWYPQMZSA-N 296.731 3.677 30 20 CHED C=CCCCCCOC(=O)c1cnc(C)nc1C(C)C 783683073 MSFMRQHGRUUAOX-UHFFFAOYSA-N 276.380 3.812 30 20 CHED C=C(C)CCC(=O)N[C@H]1c2ccccc2CC12CCOCC2 1121188668 XZCFXHIIYUZTIF-SFHVURJKSA-N 299.414 3.553 30 20 CHED C=CCCCCCC(C)=NN=C(C)c1cnccn1 789022861 HCQPSFNUUYITNJ-UHFFFAOYSA-N 258.369 3.798 30 20 CHED CCc1ccc(C(=O)/C=C\c2cn3cc(C)ccc3n2)o1 789145095 YUEZFJFXXULUQK-ALCCZGGFSA-N 280.327 3.694 30 20 CHED C=C(Cl)CNC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 787864116 AHUABHXSTNAWKK-HIFRSBDPSA-N 292.810 3.635 30 20 CHED C#CCCN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 782565567 ZPOYOCVFGGHYNS-UKRRQHHQSA-N 281.321 3.954 30 20 CHED CCCN(C(=O)NCCC#N)[C@@H](C)c1cc2ccccc2o1 787352787 VTHQUSNDEYNHDY-ZDUSSCGKSA-N 299.374 3.829 30 20 CHED C=C(C)CN(CC)Cc1ccccc1N1CCCC1 1138613569 LJEYSYXVBLORSA-UHFFFAOYSA-N 258.409 3.685 30 20 CHED OC[C@H](NN=C1CCC[C@@H]1c1ccccc1)c1ccccc1 788469861 SMRPCBOJTRDPGZ-MJGOQNOKSA-N 294.398 3.633 30 20 CHED COc1cc(/C=C\C(=O)c2sccc2OC)ccc1C#N 799497540 UFIKHXCNAMUNJE-XQRVVYSFSA-N 299.351 3.533 30 20 CHED c1ccc(OCCCNN=C2CCC3(CC2)CC3)cc1 792633603 KINVHLJFAQMRBZ-UHFFFAOYSA-N 272.392 3.755 30 20 CHED CSCCCCCN[C@@H](C)c1cccc(C#N)c1 186770170 SLKAYQAECPKVJN-ZDUSSCGKSA-N 262.422 3.742 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798968892 KWIZGNHSBKAGJV-SECBINFHSA-N 291.700 3.678 30 20 CHED FC(F)(F)c1ccc(NN=C2CCC23CCC3)nc1 799867658 MFILSAUTKFYKBR-UHFFFAOYSA-N 269.270 3.832 30 20 CHED CSc1ccc(/C=C/C(=O)c2ccnc(F)c2)cc1 794720391 QNUOSEUKWDTBDF-QPJJXVBHSA-N 273.332 3.839 30 20 CHED CC(=O)c1c(Cl)cccc1N1CCC(CC#N)CC1 641485613 NZPITPQVTBJEJU-UHFFFAOYSA-N 276.767 3.673 30 20 CHED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)C#N 796788186 WPKGUVINWGCNAD-LBPRGKRZSA-N 284.359 3.583 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 790975802 SSGDWGVGKBXNDC-BXUZGUMPSA-N 296.326 3.559 30 20 CHED Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1C#N 799302365 IRDYSKWENXKMFQ-SFHVURJKSA-N 290.366 3.626 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)[C@@H](C)c1ccccc1Cl 791059567 RLRRTXPHGWEDOB-QWHCGFSZSA-N 292.810 3.844 30 20 CHED N#CCC1(CNCc2ccc(SC(F)F)cc2)CC1 797468644 MVVPWHPQAMBYOU-UHFFFAOYSA-N 282.359 3.785 30 20 CHED CC(=NNc1ncccc1Cl)c1coc(C(C)C)n1 799477601 WSDHBBNFBDBPHV-UHFFFAOYSA-N 278.743 3.683 30 20 CHED CC(=NNc1ncc(F)cn1)c1cccc(CC(C)C)c1 794921560 DACDLWMKPBNDNA-UHFFFAOYSA-N 286.354 3.650 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc2ccccc2o1 90451150 RBRNPBBILPSXCP-ZDUSSCGKSA-N 259.349 3.676 30 20 CHED C#CC(C)(C)N(C)Cc1ccccc1C(F)(F)F 787997220 IRCXZMOPDRWDPR-UHFFFAOYSA-N 255.283 3.549 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2Cc2ccccc2)C1 1308830267 SKYOFBBHPVOBPW-BSDSXHPESA-N 268.404 3.680 30 20 CHED C#CC[C@@H](NC(=O)N1CC(C)(C)C1(C)C)c1ccccc1 1319515813 QUKUKEWSSDECBP-OAHLLOKOSA-N 284.403 3.581 30 20 CHED N#Cc1ccc(/C=C\c2ccc(N3CCCC3)cc2)nc1 1317937647 BIKAJHCJBUFZML-CLTKARDFSA-N 275.355 3.724 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@]1(C)CCCC[C@@H]1C 1310419272 ZSFKQMWSDSRFDG-SJCJKPOMSA-N 285.391 3.957 30 20 CHED N#CCc1cccc(N[C@@H]2CCSc3ccc(F)cc32)n1 1324272277 NERGSBLFBIMHAL-CQSZACIVSA-N 299.374 3.936 30 20 CHED CC(C)[C@H](CO)[C@@H](NCCC1(C#N)CCCCC1)C(C)C 1170443248 NSZSTEDLBXFEQT-IRXDYDNUSA-N 294.483 3.729 30 20 CHED CCO[C@H]1CC(=NNc2ccc(C)c(Cl)c2)[C@H]1SC 1325250676 RJQVSGSDXRIHDI-UONOGXRCSA-N 298.839 3.957 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1csc(C#N)c1 1324412553 LJXGPKNOJRFPPH-BLLLJJGKSA-N 296.395 3.638 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(OCC#N)cc1 1322006585 CQPOQJFRMJXRHY-ZIAGYGMSSA-N 286.375 3.744 30 20 CHED N#Cc1cc(-c2nc(C3CCCCC3)no2)cs1 1324849244 XMKADNALOKTUOQ-UHFFFAOYSA-N 259.334 3.717 30 20 CHED C=CCC1(c2nnc(-c3ccncc3)o2)CCCC1 1326944909 VOSFPDYZERUMAI-UHFFFAOYSA-N 255.321 3.520 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1cccc(C(F)F)c1 1322228417 WIRXHSMYTRCKKL-CQSZACIVSA-N 294.345 3.874 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@@H]2CCCC[C@@H]2C1 1323234340 OWHZAZGKOUDZLC-JKSUJKDBSA-N 284.403 3.579 30 20 CHED CCC[C@@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1 1336161887 DGAPMBJTDCVSRB-CYBMUJFWSA-N 276.767 3.616 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2cnccc2c1 1336237826 HZBXQKQAJNAWCA-KRWDZBQOSA-N 280.371 3.806 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(OC)c(OCC)c1 1333412012 ZSVXQULTAXXPOJ-LBPRGKRZSA-N 277.364 3.635 30 20 CHED CC(=NNCC1CCOCC1)c1ccc2ccccc2c1 1251899316 UIVHVRGMBAISFV-UHFFFAOYSA-N 282.387 3.580 30 20 CHED CC[C@](C)(C#N)c1nnc(-c2ccc(Cl)cc2F)o1 1261576947 HXFBQDHEPVQGIV-CYBMUJFWSA-N 279.702 3.720 30 20 CHED CCCCCCCC[C@H](N)C(=O)Nc1cc(N)ccc1C 1343487250 NLSDIHBDHLSUBT-HNNXBMFYSA-N 291.439 3.594 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc([C@H]2CCO[C@H]2C)o1 1346006041 ZBRIVUARJLPDLR-AEGPPILISA-N 284.359 3.670 30 20 CHED CCc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1CC 1342672790 DEGCIVJGZQXUEI-SFHVURJKSA-N 286.419 3.870 30 20 CHED C=C(C)CCC(=O)N1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 1358475851 UHCVSUZHQHOKBB-RVKKMQEKSA-N 287.403 3.720 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1ccc(F)c(C#N)c1 1358065465 KLXRRXLBGHSYIG-UHFFFAOYSA-N 286.281 3.651 30 20 CHED CCCCCCCC(=O)Nc1ccc(N)c(OC)c1 104040973 BRPPDJMUPGLVET-UHFFFAOYSA-N 264.369 3.576 30 20 CHED C[C@H]1CC[C@H](CC(=O)O[C@@H](C)c2cccc(C#N)c2)C1 1435509199 YCBRUNWJQNJBDF-IHRRRGAJSA-N 271.360 3.989 30 20 CHED CCc1ccc2ccccc2c1CNC(=O)[C@@](C)(C#N)CC 1439153079 ZVKZMOJJIFIRPO-LJQANCHMSA-N 294.398 3.958 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C#N)cc1F 1354853682 WHJNQNBDCJFXJP-WBMJQRKESA-N 288.366 3.738 30 20 CHED CC1(CNC(=O)c2ccsc2C#N)CCCCCC1 1357731412 LFMROUXJKZTHJL-UHFFFAOYSA-N 276.405 3.710 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2cccc(CC#N)c2)c1 1525934215 RGVTVKGQZCYAFD-CQSZACIVSA-N 278.355 3.803 30 20 CHED Cc1sccc1C(=O)Nc1ccccc1O[C@H](C)C#N 1520263629 PJCMMMMXNFNBPL-SNVBAGLBSA-N 286.356 3.600 30 20 CHED C[C@@H](Cc1ccsc1)Nc1c(F)cc(C#N)cc1F 111143669 LSWMQYMGQKEHAO-VIFPVBQESA-N 278.327 3.941 30 20 CHED CC[C@@H](NCC(C)(C)CCC#N)c1ccc(C(=O)O)cc1 1609932186 FMSAQJNABBGBKZ-OAHLLOKOSA-N 288.391 3.755 30 20 CHED CCCCCCCCC(=O)Nc1nc(C)c(C(=O)O)s1 1609968750 LFYDHXFLINKPEP-UHFFFAOYSA-N 298.408 3.839 30 20 CHED CSc1cc(C)ccc1NC(=O)c1ccc(C#N)c(C)n1 1460965594 RZFILGRGDVCHOB-UHFFFAOYSA-N 297.383 3.544 30 20 CHED N#Cc1ccc(C2=CCN(CCC3CCC3)CC2)cc1 1473345439 USSXYPHNWCBTMS-UHFFFAOYSA-N 266.388 3.838 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1c1ncccc1C#N 1472883739 FVRYSIXQQYQWLV-RHSMWYFYSA-N 277.371 3.726 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1ccccc1)c1ccccc1 1544989546 GSGQBUHHRHFFJZ-MRXNPFEDSA-N 278.355 3.770 30 20 CHED CCCC[C@H](CC)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1557352867 VLMQNJRMBMDTNI-LBPRGKRZSA-N 298.390 3.898 30 20 CHED CC1(CNC(=O)c2cccc(F)c2C#N)CCCCCC1 1566909433 ZJLPCQIBVLWONW-UHFFFAOYSA-N 288.366 3.788 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1Cc2cc(F)c(F)cc2C1 1646448391 KSKYTLQGOPZIRS-NSHDSACASA-N 284.309 3.913 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc2ccncc2s1 1651916410 KODGAGUPASNDQQ-UHFFFAOYSA-N 293.395 3.800 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(C(C)C)c(C(=O)O)s1 1588682306 LFFKTLSWCDQFJZ-AWEZNQCLSA-N 296.392 3.506 30 20 CHED Cc1cccc(C(=O)Nc2cc(C#N)ccc2F)c1Cl 1596936440 KBVUDZHPLBIZFV-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)ccc1F)c1cccc(F)c1 1596936888 SFWQJPLPNRNSBK-SNVBAGLBSA-N 286.281 3.579 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC[C@H](C)CC2)c1 1672776188 WLZWOFOZQZDZDK-SWLSCSKDSA-N 285.391 3.957 30 20 CHED C=CCCC1(C(=O)O)CCN(CCC(C)(C)C)CC1 1776173254 ZKFNVCYICPIVOQ-UHFFFAOYSA-N 267.413 3.556 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\CCC2=CCCCC2)c1 19860561 UKVHUODJGAVVAA-WJDWOHSUSA-N 274.320 3.610 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](c1ncc(C)s1)C1CC1 150895201 UKCBEYWQCMWEAM-AWEZNQCLSA-N 290.432 3.787 30 20 CHED C[C@H](Nc1nc2c(cc1C#N)CCCC2)c1cccc(O)c1 161090810 FFJSDAVFHAPSFH-LBPRGKRZSA-N 293.370 3.711 30 20 CHED Cc1cc(Cl)ccc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 152247881 UNINJQUTTVFCGT-MEDUHNTESA-N 290.794 3.851 30 20 CHED C=C(C)CNC(=O)c1ccccc1COc1ccccc1 153010791 SNDQMQMRRFHACT-UHFFFAOYSA-N 281.355 3.572 30 20 CHED CC[C@@H](CC(=O)N(CC)C[C@H](C)C#N)c1ccc(C)cc1 156392040 NRXDVTRVQXXXJJ-CVEARBPZSA-N 286.419 3.887 30 20 CHED CC[C@@H](C#N)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 157984486 QFUYKQNENYVSAO-MFKMUULPSA-N 298.308 3.617 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)ccc1OCCC 156616384 FNPADKJJHSYZIU-UHFFFAOYSA-N 282.771 3.779 30 20 CHED Cc1ccccc1[C@H](C)NCc1cccc(C#N)c1 20126139 JAAFNKIRFYNGCX-AWEZNQCLSA-N 250.345 3.718 30 20 CHED N#Cc1ccc(CN(CC(F)(F)F)C2CC2)c(Cl)c1 162893671 PPAXEPMSNHEEFJ-UHFFFAOYSA-N 288.700 3.738 30 20 CHED Cc1cnc(COc2ccc(C#N)cc2Cl)s1 179741109 HWJVTIKRYMOMPL-UHFFFAOYSA-N 264.737 3.556 30 20 CHED C#CCSCCN[C@@H](C)c1sc(C(C)(C)C)nc1C 181099635 VKPJXPKBUXLEAT-NSHDSACASA-N 296.505 3.766 30 20 CHED C=CC1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 302192352 MGIDFVXWTKGLAH-UHFFFAOYSA-N 280.293 3.979 30 20 CHED C=CCSCCOc1cccc(Br)c1 308508239 AVUOSVXRWGZSAI-UHFFFAOYSA-N 273.195 3.747 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1ccc(C#N)c(F)c1 404114830 FLUMIJSFLSRLCH-XJKSGUPXSA-N 260.356 3.756 30 20 CHED CC(C)(CCC#N)CNc1ccc(Br)cn1 309418432 ZGDXEMGWGWCUPC-UHFFFAOYSA-N 282.185 3.586 30 20 CHED C=CCCCSc1n[nH]c(=NCc2ccccc2)s1 605076099 JUBUPEPIACNBCO-UHFFFAOYSA-N 291.445 3.630 30 20 CHED Cc1nccc(NCc2ccc(C#N)cc2F)c1Cl 312099844 GVCJKSRIUPKJMN-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CCCN(C)Cc1sccc1Br 336653954 MOJZDGKDYBMMEG-UHFFFAOYSA-N 260.200 3.519 30 20 CHED C=CC1CCN(Cc2cccc(C(=O)OC)c2Cl)CC1 450395706 VKCFZZSHTUZHSH-UHFFFAOYSA-N 293.794 3.525 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1ncc(C#N)cc1Cl 359016368 FYPWPLNCSYGBSW-RYUDHWBXSA-N 281.812 3.693 30 20 CHED N#Cc1c(Br)cccc1N[C@H]1CC[C@H](F)C1 381820044 KOVJNVFELFJZCN-IUCAKERBSA-N 283.144 3.623 30 20 CHED C=C1CCN(Cc2c(C(=O)O)sc3ccccc23)CC1 382483175 REHLMLGCFJMFCH-UHFFFAOYSA-N 287.384 3.752 30 20 CHED C=CCCOC(=O)c1cc(C)sc1Br 761075753 PXCZQIKZWRFECP-UHFFFAOYSA-N 275.167 3.552 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NOCc2ccccc2)o1 839423794 VUZVXHFWBPTLEC-DOMZBBRYSA-N 255.317 3.954 30 20 CHED CCCOc1ccc(C(C)=NOC)cc1OCCC 767489701 FCAZDVAKSOPISS-UHFFFAOYSA-N 265.353 3.635 30 20 CHED C#CCCCNCc1ccc(NC(=O)OC(C)(C)C)cc1 877069703 FRIJWTGIEXFBGF-UHFFFAOYSA-N 288.391 3.537 30 20 CHED N#Cc1ccncc1NC[C@@H]1CCCC[C@@H]1C(F)(F)F 340934345 MNCSDXPQXOPSBG-RYUDHWBXSA-N 283.297 3.734 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1C1CCCC1 54838570 MKIAZVFFMJCFRM-OAHLLOKOSA-N 285.347 3.625 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2ccccc2[nH]1 50212899 PASKGKQWJYZURI-UHFFFAOYSA-N 275.311 3.600 30 20 CHED CC(C)Oc1ccccc1[C@H](C)Nc1ccc(C#N)cn1 52325258 DLTYYKYGEJTQIJ-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccccc1)c1nccs1 175571635 LVEYCWPWLHKJJQ-HNNXBMFYSA-N 286.400 3.705 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc([N+](=O)[O-])cc1 107577307 YRKQXIQAZKLKLD-FLIBITNWSA-N 267.284 3.799 30 20 CHED C=C(C)CNC(=S)Nc1ccc(CCCC)cc1 57758935 MKLYMOZFURJDOB-UHFFFAOYSA-N 262.422 3.892 30 20 CHED C#CCCCN[C@H](C)c1sc(C(C)(C)C)nc1C 178059483 SJWPUHWOQXQGNK-LLVKDONJSA-N 264.438 3.813 30 20 CHED N#CCCCC/N=C/c1c(O)ccc2ccccc12 171417239 DQFGAEBYJSEMMB-LDADJPATSA-N 252.317 3.658 30 20 CHED CCOC(=O)[C@H](CC)S[C@@H](C#N)C1CCCCC1 177348478 KZZRKALKDYRTRZ-STQMWFEESA-N 269.410 3.534 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 176475673 LKIWVSBLLWQKEU-LSDHHAIUSA-N 272.392 3.562 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(C#N)cs1 177517733 OYJMXENFNOXMCG-SWLSCSKDSA-N 296.395 3.638 30 20 CHED CC(C)(C)c1ncsc1C(=O)Nc1cccc(C#N)c1 176405579 UVKWEQDOLIUCCG-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C=C(C)CN1CCC(Nc2nc3ccccc3s2)CC1 301184248 QSGSETWAZUNPFT-UHFFFAOYSA-N 287.432 3.749 30 20 CHED N#CCN(C(=O)c1cccc(Cl)c1F)c1ccccc1 177694411 YQXWAWWFVPQVFF-UHFFFAOYSA-N 288.709 3.649 30 20 CHED CO[C@H](CNc1cccc(F)c1C#N)c1ccc(F)cc1 301416875 FSGILWXUKAXYPL-MRXNPFEDSA-N 288.297 3.636 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1cccc(OC)c1 116972186 MQSYILRLYUVWGG-CJNGLKHVSA-N 288.391 3.506 30 20 CHED CC(C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 302187978 JJTRAWDEYKNCFO-ZDUSSCGKSA-N 287.363 3.729 30 20 CHED CC(C)(CCC#N)CNCCC1Cc2ccccc2C1 119462668 OWPLAIKTHQVOKA-UHFFFAOYSA-N 270.420 3.711 30 20 CHED CCCCCCCC(=O)NCc1ncc(CC)s1 173048947 SHUSLQXXCCOALO-UHFFFAOYSA-N 268.426 3.682 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C(C)C)on2)c1 121257770 MWNMMIXRYKVSCU-UHFFFAOYSA-N 286.331 3.615 30 20 CHED N#Cc1cccc(N[C@@H]2CCC[C@H]2Cc2ccccc2)n1 301385293 VMXMHBLVVAIBHE-DOTOQJQBSA-N 277.371 3.777 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1ccc(C#N)nc1 302224033 NVTHOHFTOUCAQF-CYBMUJFWSA-N 251.333 3.743 30 20 CHED CC(C)NCc1cccc(OCc2ccccc2C#N)c1 37704141 ZTTZYSXMOUCCNP-UHFFFAOYSA-N 280.371 3.635 30 20 CHED COc1ccc2cc([C@H](C)C(=O)OCCCC#N)ccc2c1 180124378 VXUDPQOLQXTWMY-ZDUSSCGKSA-N 297.354 3.799 30 20 CHED C=CCn1c(S[C@H](C)CCC#N)nnc1-c1ccccc1 188186369 CLOMVYLRIIORJG-CYBMUJFWSA-N 298.415 3.915 30 20 CHED C=C(Br)COc1ccc(C(C)=O)cc1Cl 127150575 LJVOLKKYNMPFOZ-UHFFFAOYSA-N 289.556 3.830 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cccc(OC)c2)cc1 33410603 HYBFQDVMWAEADR-XFXZXTDPSA-N 282.339 3.990 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccc(-c2ccccc2)o1 79666641 GUAZFGITNSKACU-UHFFFAOYSA-N 296.370 3.830 30 20 CHED C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 501643541 WLCMMUHOYGRLPG-HFTRVMKXSA-N 271.404 3.899 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCCc3ccccc32)c1 35181256 RLRGRLBFJDTKHT-GOSISDBHSA-N 280.346 3.865 30 20 CHED CC(C)(CC#N)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 414173765 XIKBZWCXCGOCHQ-HNNXBMFYSA-N 287.363 3.502 30 20 CHED Cc1ccccc1/C=C/C(=O)c1cnn(C(C)C)c1C 188884786 MATDTKZNVAHIPW-MDZDMXLPSA-N 268.360 3.977 30 20 CHED C=CCOc1ccccc1-c1nc(Cc2cccs2)no1 504247256 QZWOAOMPYVRANI-UHFFFAOYSA-N 298.367 3.954 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 185210537 WVZXKXRQCOSVNM-LBPRGKRZSA-N 279.330 3.678 30 20 CHED CCOCc1ccccc1CNc1cccc(F)c1C#N 78382512 OLOFMAWJWXZBFJ-UHFFFAOYSA-N 284.334 3.846 30 20 CHED C=C(C)CCc1noc(/C=C\c2cccc(OC)c2)n1 508674569 ZQMBOTPMAGPCCO-NTMALXAHSA-N 270.332 3.757 30 20 CHED C[C@@H]1CN(CCCCC#N)CC[C@@H]1c1ccccc1 129784711 QPCBLXAULHPFNR-WBVHZDCISA-N 256.393 3.806 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 120719190 WHQZDLVQWNJWRI-BDJLRTHQSA-N 290.432 3.541 30 20 CHED Cc1cc2cc(C(=O)[C@@H](C#N)c3ccccn3)oc2cc1C 122751465 VIHTZCFOAJHAQW-AWEZNQCLSA-N 290.322 3.935 30 20 CHED COCC[C@H](C)CN[C@H]1CCCCc2cc(C#N)ccc21 414206745 QCHLAXGHRPQPFP-KSSFIOAISA-N 286.419 3.588 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 181807016 USVXPXCURISPDM-UHFFFAOYSA-N 299.374 3.998 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@@H](C)C1 412843551 SGCICOWGGQZQCX-DJIMGWMZSA-N 271.404 3.726 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cnn(Cc2ccccc2)c1 453304170 FDHIMOGMEWJHGZ-HNNXBMFYSA-N 283.419 3.794 30 20 CHED N#Cc1cc(F)ccc1N[C@H](CCCO)c1ccccc1 78302188 BLWBTNROUGYUEG-MRXNPFEDSA-N 284.334 3.623 30 20 CHED C[C@H]1c2cccn2CCN1CCC1(C#N)CCCCC1 411142228 GBECGPFFHYCTCE-HNNXBMFYSA-N 271.408 3.729 30 20 CHED C=C(C)COc1cccc(NC(=O)NCc2ccccc2)c1 72093113 MRSDEBWVRGGRAN-UHFFFAOYSA-N 296.370 3.963 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(OC)c(Cl)c1 130739567 MDKJHYRRLADHDW-LBPRGKRZSA-N 265.784 3.803 30 20 CHED N#CCC(=O)NCC1(c2ccccc2Cl)CCCCC1 185902152 MSZIWKZTUAZUAX-UHFFFAOYSA-N 290.794 3.572 30 20 CHED CCCN(CC1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 75997288 SBIHRKDTHBKNSR-UHFFFAOYSA-N 291.782 3.866 30 20 CHED N#CCCN(CCC#N)Cc1cccc(OC2CCCC2)c1 180044459 HWBXYPCZWUTHFN-UHFFFAOYSA-N 297.402 3.637 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 412848901 ZMVPYEURIJCRHE-XDNAFOTISA-N 283.415 3.726 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1CCC(OC(C)C)CC1 180772762 BDOVDNPTQUVABT-QQFBHYJXSA-N 296.455 3.767 30 20 CHED C[C@@H](CCc1ccccc1)NCCc1cccc(C#N)c1 503573104 JBEAYQIUTUQJPI-INIZCTEOSA-N 278.399 3.712 30 20 CHED COc1cccc([C@H](C)C(=O)Nc2cc(C#N)ccc2C)c1 195233447 QAVLSYJCSKYVGA-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED CSc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1 612155534 WPXFNKGMRNGYTR-HNNXBMFYSA-N 260.406 3.534 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1F 41543362 ICQLKPPCVOGYBS-LBPRGKRZSA-N 294.285 3.765 30 20 CHED N#CCN(Cc1cnc(-c2ccco2)s1)C1CCCC1 194407903 AGGADPWGLXQUEO-UHFFFAOYSA-N 287.388 3.671 30 20 CHED COc1cccc(CN[C@H](CCC#N)c2ccccc2)c1 130463896 LKAOCWVSSZPMRL-GOSISDBHSA-N 280.371 3.830 30 20 CHED C#CCN(C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 192238753 DEUYCUYRPWDHOS-GFCCVEGCSA-N 288.778 3.929 30 20 CHED O/C(Cc1ccc2c[nH]nc2c1)=N/C1CCC2(CC1)CC2 329359456 XNJCXZWCKIKCRM-UHFFFAOYSA-N 283.375 3.785 30 20 CHED C=CCCCCCN1CC[C@@]2(C1)OCc1ccccc12 193561058 KESWTQJVVIVRFN-SFHVURJKSA-N 271.404 3.864 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ncc(C(C)C)s1 192389683 RHHHWHQJFZCEBF-UHFFFAOYSA-N 267.398 3.696 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)NCc1ccc(C#N)s1 420915084 KXVGJXPUSTXBIM-LLVKDONJSA-N 293.436 3.634 30 20 CHED COc1ccccc1C(=O)N(CCC#N)c1ccc(C)cc1 194932808 ONXQKQOQNSOTNY-UHFFFAOYSA-N 294.354 3.564 30 20 CHED Cc1nnc(N=C(O)C[C@H]2CCC[C@@H](C)C2)n1C1CC1 329084953 TYTHSQKBBDWHHC-PWSUYJOCSA-N 276.384 3.726 30 20 CHED C=CCCCCS(=O)(=O)[C@H](C)c1ccc(F)c(F)c1 515139266 UUPOANPLZLJJOS-LLVKDONJSA-N 288.359 3.797 30 20 CHED CC(C)[C@@H](Nc1cncc(C#N)n1)c1ccccc1Cl 420606918 YFSKLDNUNBWARE-OAHLLOKOSA-N 286.766 3.811 30 20 CHED N#CCc1cccc(C(=O)N2CCCCc3ccccc32)c1 49726671 RLECHBOHOZVGFX-UHFFFAOYSA-N 290.366 3.736 30 20 CHED C#CCCCC(=O)Nc1ccc(OC2CCCC2)cc1 192063990 FMPQMINYJWMUJM-UHFFFAOYSA-N 271.360 3.750 30 20 CHED CC(C)(C#N)CCCSc1nc2ccccc2[nH]1 87609098 BQWMKORHQIXSCS-UHFFFAOYSA-N 259.378 3.985 30 20 CHED C=C(CNC(=O)N1CCC[C@H](C)[C@@H]1C)c1ccccc1 512679404 YUEIUUHEABXZHI-ZFWWWQNUSA-N 272.392 3.530 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@]1(CCC)COC 192754820 IFCXFWMTTJBBCB-QGZVFWFLSA-N 279.424 3.563 30 20 CHED CC(C)n1ccnc1CN(C)[C@H](C)c1cccc(C#N)c1 425540167 VAZRPLPSGCUZBB-CQSZACIVSA-N 282.391 3.529 30 20 CHED N#Cc1c(N2CCC[C@H]2c2ccsc2)ncc2c1CCC2 425208480 PAMJQQAKURBDKC-INIZCTEOSA-N 295.411 3.845 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 425128845 LAWJSOKZIGSFQE-IOASZLSFSA-N 270.376 3.514 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1ccc(C#N)s1 335682557 YKIZCCPJUQHPNJ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCn1cc(CN[C@@H](C)c2cccc(CC(C)C)c2)nn1 424300239 XDXSMJGNFVUXOD-HNNXBMFYSA-N 298.434 3.513 30 20 CHED CC(C)Oc1ccc(CNCc2ccc(C#N)cc2F)cc1 236717534 HDUDUHCFZLJHOD-UHFFFAOYSA-N 298.361 3.774 30 20 CHED C[C@H](C#N)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 335844697 LRIMGFNKNIWIJD-RKDXNWHRSA-N 297.185 3.599 30 20 CHED C=CCCc1ccccc1NC(=O)C1CC(OCC)C1 510148579 GIYKQLKSRIQOJQ-UHFFFAOYSA-N 273.376 3.559 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC1=CCCCC1 425131944 QGLYYCFPUOKVBS-CQSZACIVSA-N 282.387 3.968 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3occc32)cc1 237501944 CYPKUFOPLLWXMX-SUMWQHHRSA-N 296.370 3.738 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CCCCCc1ccc(F)cc1 426639604 OGAIHGJBYUAHCL-AWEZNQCLSA-N 290.382 3.547 30 20 CHED CC1(C#N)CCC(Nc2ccc(N3CCCC3)nc2)CC1 332447827 KVENOWPCFOXFAL-UHFFFAOYSA-N 284.407 3.566 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@@](C)(CC)C1 337900077 ICWCSWVYLKCKHJ-QGZVFWFLSA-N 288.439 3.748 30 20 CHED C[C@H]1CCC[C@H](N(C)CCCC2(C#N)CCOCC2)C1 337135004 MDEYLCFHFZRFMO-HOTGVXAUSA-N 278.440 3.597 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1F 334676173 TUKQTPCZQATVGQ-GOSISDBHSA-N 296.345 3.570 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1CCC(F)(F)CC1 336328905 PZVWBMXPPSECIX-UHFFFAOYSA-N 293.317 3.566 30 20 CHED C=CCOc1ccc(CNCC2(OC)CCCCC2)cc1 512557393 QJUABOXYCJXIPE-UHFFFAOYSA-N 289.419 3.690 30 20 CHED Cc1ccsc1/C(O)=N/[C@@](C)(C#N)CC(C)C 330754618 FKCKQMMVCUAKIU-CYBMUJFWSA-N 250.367 3.690 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccco1 90665714 PINXTKLRYIODQV-HIFRSBDPSA-N 254.333 3.975 30 20 CHED N#CCCN(Cc1cccc(-c2ccccn2)c1)CC1CC1 93091476 YRDKTKPIMGHPGB-UHFFFAOYSA-N 291.398 3.874 30 20 CHED CN(Cc1ccc(N(C)CCC#N)cc1)CC1CCCC1 92667344 XKVKTOPZRPVJQX-UHFFFAOYSA-N 285.435 3.658 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CCC1CC1 346312082 LMZUZUZNDKJPLC-LBPRGKRZSA-N 271.364 3.567 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@@H](CC(F)(F)F)C1 529499652 PKJCDIUAFIELDY-NSHDSACASA-N 290.329 3.507 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N[C@H](CCC#N)c2ccccc2)C1 345244530 FFXJTWJPWLRBEN-FVQBIDKESA-N 270.376 3.584 30 20 CHED Cc1ccnc2[nH]c(SCc3cc(C#N)ccc3F)nc12 347390903 MOADWPAZGYUULL-UHFFFAOYSA-N 298.346 3.569 30 20 CHED C=CCCOCCCCC(=O)N[C@H](C)c1cc(C)oc1C 342752032 KXVZRZACYMEEMQ-CQSZACIVSA-N 293.407 3.837 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H](OCC)C(C)C 348671493 XDKAZZAYJKUGCQ-QGZVFWFLSA-N 289.419 3.652 30 20 CHED CCO[C@H]1C[C@H](NCc2cc(C#N)cs2)C1(CC)CC 344693282 IRWHNIOZYILTKG-GJZGRUSLSA-N 292.448 3.693 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)cs1 437138635 XVQHNCPZCPTDJR-OLZOCXBDSA-N 290.432 3.954 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 246848263 OYBVRLVCCZVHQU-SDJAHQOYSA-N 289.762 3.679 30 20 CHED C=C[C@H](Cc1nc([C@@H]2CC[C@@H](C)O2)no1)c1ccccc1 528245734 WBHHNVFZRWTHRP-NFAWXSAZSA-N 284.359 3.822 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)c1ccc2nc(O)oc2c1 601304410 MVBGSYXXHZHSSP-BLQFLSLASA-N 299.374 3.656 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1cccc(Cl)c1 248248638 RIEXOROQTQNZCI-GFCCVEGCSA-N 281.783 3.532 30 20 CHED C=CCCN(C)C(=O)c1cc(Oc2ccccc2)ccn1 342018749 NTFODTRHTODFAL-UHFFFAOYSA-N 282.343 3.522 30 20 CHED CCCCCCCC(=O)NC1(c2noc(C)n2)CCCC1 248048119 RJIWIMGIAPDHAT-UHFFFAOYSA-N 293.411 3.624 30 20 CHED C=CCCCCCN(C)Cc1cn2cccc(C)c2n1 606902252 JZSLFZMXULMDMS-UHFFFAOYSA-N 271.408 3.821 30 20 CHED COCc1ccc(NC(=O)c2occc2C(C)C)cc1C#N 529815034 WRWORFBBNZFYDZ-UHFFFAOYSA-N 298.342 3.673 30 20 CHED Cc1ccnc(N2CCCC3(CCCCC3)C2)c1C#N 541277206 FTOWTMXZSNWDEI-UHFFFAOYSA-N 269.392 3.812 30 20 CHED Cc1cc([C@@H](C)NC(=O)CCc2ccc(C#N)cc2)c(C)o1 346460316 JMISWTOKVCHOOP-CYBMUJFWSA-N 296.370 3.578 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(C(=O)C2CCC2)cc1 346655559 SDJKMQNKMIRTGA-UHFFFAOYSA-N 284.359 3.548 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(Cl)c1 537230411 ULJISLONDLPJDS-SNVBAGLBSA-N 269.747 3.954 30 20 CHED Cc1nsc(N(C)Cc2cc3ccccc3o2)c1C#N 342819012 ZXACLNGDRYFWMO-UHFFFAOYSA-N 283.356 3.706 30 20 CHED C=CC1CCN(C(=O)Nc2nc3ccsc3s2)CC1 344710359 MYUPBPHYKCIDBC-UHFFFAOYSA-N 293.417 3.788 30 20 CHED CC[C@@H](NC[C@H](C)CCC#N)c1ccc(F)cc1F 602557923 PPROUHAWIGSIIG-IAQYHMDHSA-N 266.335 3.945 30 20 CHED CCc1ccc(CCSc2cc(C#N)ccn2)cc1 524536296 PHKKXSDYZJOIQS-UHFFFAOYSA-N 268.385 3.850 30 20 CHED C=CCOCCCN(Cc1cccc(F)c1)C(C)C 347967531 IWPOEFJGESMMSS-UHFFFAOYSA-N 265.372 3.629 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 442935131 RJTAAPQTHUUMGC-QGZVFWFLSA-N 293.357 3.568 30 20 CHED Cc1cccc(NCc2cc(C#N)ccc2F)c1F 182328252 SEVZAOVWWQAHJJ-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1cnc(N2CC[C@H]3CCC[C@H]32)c2sccc12 601148974 CMXQJRJCPZBIRA-ZWNOBZJWSA-N 269.373 3.547 30 20 CHED COc1ccc(O)c(/C=N\Cc2cccc3cccnc23)c1 255620019 SLKIXKVDINRFSJ-UNOMPAQXSA-N 292.338 3.568 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OCC)cc2)CC1 353340805 DCCANAFTQSXSDA-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CC(C)(C)OC(=O)CCS[C@@H](C#N)C1CCCCC1 440596616 KHUJOCRBDYGAAN-ZDUSSCGKSA-N 283.437 3.924 30 20 CHED Cc1oc2ccccc2c1CNc1cccnc1C#N 357458597 XWHVYCUJROJGTH-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CC1(Nc2ncc(C#N)cc2Cl)Cc2ccccc2C1 351503701 WWSMKMFREJPMLL-UHFFFAOYSA-N 283.762 3.576 30 20 CHED Cc1nn(-c2ccccc2)cc1NC[C@@H](C)CCC#N 602596147 HUZUMMGAPGZPTP-ZDUSSCGKSA-N 268.364 3.533 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)Nc1cc(CC#N)ccn1 531924869 GLBNLBFLGIPONE-CQSZACIVSA-N 293.370 3.588 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2cccnc2C#N)C1 357536249 UIGLNUPPDDIXLL-CABCVRRESA-N 277.371 3.644 30 20 CHED C=CCCOCCCCC(=O)N1CCCC[C@H]1C(C)C 538301771 UEKKGRXGHXREFN-INIZCTEOSA-N 281.440 3.787 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC 536377746 IGGIQKTWOVQTSQ-LLVKDONJSA-N 274.364 3.578 30 20 CHED CCC[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)C(C)C 611199867 NZAHAANZBQNYEG-CJNGLKHVSA-N 272.392 3.808 30 20 CHED CCCc1sc(C(=O)[C@H](C#N)c2ccncn2)cc1CC 354461814 GORBPXKGFGBVLS-GFCCVEGCSA-N 299.399 3.543 30 20 CHED C=CCCC1(C(=O)NCCc2c(C)[nH]c3ccccc23)CC1 355540950 HPJGVMIYONZDMM-UHFFFAOYSA-N 296.414 3.881 30 20 CHED C=CCCC1(C(=O)N2CCC(OCCCC)CC2)CC1 356270082 UMOHULHRJCDSOP-UHFFFAOYSA-N 279.424 3.541 30 20 CHED C=CCC[C@H](N[C@H](C)C[C@H]1CCCO1)c1ccco1 353494459 CUWLYZXUEXJXCM-KFWWJZLASA-N 263.381 3.834 30 20 CHED C=CCOc1ccc(CN[C@H](CC)C2CCOCC2)cc1 531043855 MQBUAUIEAZRRHM-GOSISDBHSA-N 289.419 3.546 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 617783256 WUJYJCRQFFQECB-CQSZACIVSA-N 280.371 3.663 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(Br)c(C)c1 457861289 VFMAONQKBBJKTE-UHFFFAOYSA-N 296.208 3.586 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccco1)Cc1ccco1 455527229 VDVORBBXAGKYRC-UHFFFAOYSA-N 288.347 3.551 30 20 CHED C=CCCCCCN(C)Cc1ccc(C#N)cc1F 610079901 OIJHQAKRTLCWOZ-UHFFFAOYSA-N 260.356 3.876 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1CCC[C@H](OC)C1 361877447 NNJCNGTYJDLTAH-CABCVRRESA-N 294.439 3.513 30 20 CHED N#CCC[C@@H](C#N)COc1ccc(-c2cscn2)cc1 611113063 HZZGAQWFSULSBA-LBPRGKRZSA-N 283.356 3.632 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(F)c1Cl 455431143 WFLLUIFFXPZHMT-UHFFFAOYSA-N 256.708 3.567 30 20 CHED CN(CC(C)(C)C#N)C(=O)C1=C(c2ccccc2)CCC1 452435157 UFOBXQWPIZLNRO-UHFFFAOYSA-N 282.387 3.632 30 20 CHED C=C(CNC(=O)[C@H]1CCCc2sccc21)c1ccccc1 360210587 ZZGKBEDPUJOOLL-INIZCTEOSA-N 297.423 3.998 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1c1cccc(F)c1C#N 611541247 JQCCWBBKDYQXAB-VHSXEESVSA-N 286.272 3.865 30 20 CHED N#CC1(c2nc(-c3ccc4cc[nH]c4c3)no2)CCCCC1 274045008 ZSODTSSVMWHKTP-UHFFFAOYSA-N 292.342 3.943 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(F)cc1OC(C)(C)C 278849953 XHHUAONEGDQGNL-UHFFFAOYSA-N 292.354 3.881 30 20 CHED CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)s1 276958092 LLIHUEIICCKIRK-GFCCVEGCSA-N 293.823 3.853 30 20 CHED CCO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1(CC)CC 540611739 DIGUZVVHWBAWPR-CABCVRRESA-N 292.448 3.693 30 20 CHED CCCN(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 455787848 GHCLFEXKUDVMQK-UHFFFAOYSA-N 289.379 3.609 30 20 CHED C=CCN(C(=O)NCCCSc1ccccc1)C1CC1 540057652 ORNHNCMPCKYPOQ-UHFFFAOYSA-N 290.432 3.529 30 20 CHED CCc1cc(C#N)ccc1OC[C@@H](OC)c1ccccc1 549516318 JEHLMDPWQBXUSU-GOSISDBHSA-N 281.355 3.887 30 20 CHED CC(C)c1ccc(CCCNC(=O)CC(C)(C)C#N)cc1 278411052 VUOPHKDWGPIHAI-UHFFFAOYSA-N 286.419 3.799 30 20 CHED C=C(C)CCNC(=O)C[C@H](c1ccccc1)C(C)C 452722129 IYCYFACPSJETPD-INIZCTEOSA-N 259.393 3.899 30 20 CHED N#CCc1ccc(CN2CCCc3cccc(F)c32)cc1 543141250 TWSKYUCSLMQXGW-UHFFFAOYSA-N 280.346 3.845 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)C2CCC2)C1 278642897 PDOCARYXORGKHP-OAUYIBNBSA-N 272.367 3.949 30 20 CHED CCN(CC#Cc1ccc(Cl)cc1)CCC1CC1 544896379 CGSPRPDNGUPPKE-UHFFFAOYSA-N 261.796 3.814 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 278545745 NPAOTDGBNIDDLY-ACJLOTCBSA-N 297.402 3.716 30 20 CHED C=CC[C@H](CC)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 467415259 YHMHMRYUFYBEJY-IYWMVGAKSA-N 298.474 3.841 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1cccc(C)c1C)OCC 270017540 HQJNTLFPTSZVDN-INIZCTEOSA-N 275.392 3.638 30 20 CHED C=CCOc1cccc(CN[C@@H]2C[C@@](C)(OC)C2(C)C)c1 465005879 ZZVPENKBLAWYKM-SJLPKXTDSA-N 289.419 3.545 30 20 CHED COCCOc1ccc(C#N)cc1N[C@@H]1CCCC[C@@H]1C 544374474 QDJXTBOUVSWNRM-DZGCQCFKSA-N 288.391 3.574 30 20 CHED C=CCCN(C)C(=O)c1ccc(C2SCCS2)cc1 276363953 JHADTOBRLVLECF-UHFFFAOYSA-N 293.457 3.813 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 466779345 YZEVFRSYYOLMSK-IAGOWNOFSA-N 286.419 3.615 30 20 CHED CC#CCCCC(=O)N[C@@H](c1cccs1)C1CC1 464541589 UYFMBDQVMZAUPV-OAHLLOKOSA-N 261.390 3.509 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(-c2ccccn2)nc1 620865050 YYKIOGGYXRVCSP-UHFFFAOYSA-N 295.386 3.618 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1ccccc1OC 281323369 KGURXQDRFQZKDM-UONOGXRCSA-N 275.392 3.660 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cccc(C)c2F)no1 289260108 QSVNKXDJMLDWQC-TZMCWYRMSA-N 288.322 3.633 30 20 CHED Cc1ccc2c(c1)[C@H](NCCc1cccc(C#N)c1)CC2 467442061 CYGGQZXWGJQHSA-LJQANCHMSA-N 276.383 3.686 30 20 CHED C[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(F)c(F)c1 464156702 HFBFUOISKHGYHH-QFYYESIMSA-N 294.345 3.513 30 20 CHED COc1ccccc1[C@@]1(C)C[C@H]1Nc1ccc(C#N)cc1 462891423 GIZJRZYSQIOICS-QZTJIDSGSA-N 278.355 3.709 30 20 CHED C[C@@H](CCC#N)Sc1nnc2sc3ccccc3n12 285208844 LWONWEWBNWCQND-VIFPVBQESA-N 288.401 3.728 30 20 CHED Cc1c(C(=O)N(C)CC2CCC2)sc2ccc(C#N)cc12 556047987 UDXZAMJHUXTXSL-UHFFFAOYSA-N 298.411 3.954 30 20 CHED C[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C1CCCCC1 462147166 SMTIDYIZKAHSAL-KGLIPLIRSA-N 284.403 3.747 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Oc2ccccc2)cn1 554616078 XGXXPMLYDVDNKJ-AWEZNQCLSA-N 296.370 3.958 30 20 CHED C=C(C)CNC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C 466833290 VEHQCOVSHDGNKN-ZBFHGGJFSA-N 272.392 3.540 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc3nc(C)sc3c2)no1 288971923 HWUNNAMXFHGGIV-HNNXBMFYSA-N 298.371 3.846 30 20 CHED C[C@H](SC[C@H]1CCC[C@H](O)C1)c1cccc(C#N)c1 292108808 PZGSTODFFQOUQH-NOLJZWGESA-N 275.417 3.904 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](c2cccc(C)c2)C1 472846280 GSGDSYRUADPXFC-QGZVFWFLSA-N 286.419 3.850 30 20 CHED CC(C)[C@@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1 293515240 ZUFSRYFMQGKHSP-OAHLLOKOSA-N 292.810 3.890 30 20 CHED C#C[C@H](NC(=O)C(C)(C)CC)c1ccc(Cl)cc1F 804420534 AQENESBCPLOZBX-ZDUSSCGKSA-N 281.758 3.706 30 20 CHED C=C[C@@H](CO)NC(=O)Nc1ccc(C(C)C)cc1C(C)C 290101734 CYGTYXWGXKZYEN-AWEZNQCLSA-N 290.407 3.602 30 20 CHED C=CCOCCCN1CCCC[C@H]1c1ccc(CC)o1 470781991 ZXURGMRGPRUOFD-INIZCTEOSA-N 277.408 3.962 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1ccc(C#N)cc1)C2=O 809156919 OZKCVQGMOCTGBM-MDWZMJQESA-N 293.297 3.528 30 20 CHED Cc1nc(N[C@H](c2ccccc2)[C@H]2CCCO2)ccc1C#N 291943260 MZSOILOFUAKTIL-SJLPKXTDSA-N 293.370 3.594 30 20 CHED C=C(C)CN(C)C(=O)c1coc(-c2ccccc2Cl)n1 479351786 WPLJRBFCHZVCMN-UHFFFAOYSA-N 290.750 3.643 30 20 CHED C=CCN(CCC#N)C(=O)c1oc2c(C)cccc2c1C 292254112 FPKJSCFFLYOMNG-UHFFFAOYSA-N 282.343 3.592 30 20 CHED Cc1sccc1C(=O)Nc1sc2c(c1C#N)CCC2 297870972 NRIJSGAGDVJSPJ-UHFFFAOYSA-N 288.397 3.731 30 20 CHED C=CCCCCCCNC(=O)c1ccnn1C1CCCC1 805220013 CWIUVYKPUKNQEV-UHFFFAOYSA-N 289.423 3.865 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SC1CCOCC1 472183289 ZXLYLOVLCKPZCW-UHFFFAOYSA-N 296.395 3.891 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Cl)c(Cl)n1 297968382 HGOMQVQHCNNNSA-UHFFFAOYSA-N 259.136 3.539 30 20 CHED Cn1c(CSc2cccc(F)c2C#N)nc2ccccc21 562474423 QNIOSGNCSTUMHT-UHFFFAOYSA-N 297.358 3.876 30 20 CHED Cc1ccc2c(c1)CCN(c1ncc(Cl)c(C)c1C#N)C2 477953707 FNLMKMSMOIIFBT-UHFFFAOYSA-N 297.789 3.786 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=CCCC1CC1 807964564 MPJCIPKFDQTGFV-UHFFFAOYSA-N 267.716 3.836 30 20 CHED CCC/C(C)=C\C(=O)NCc1ccc(C#N)c(Cl)c1 801072397 QFFRCNJEIUZVTR-XFFZJAGNSA-N 276.767 3.574 30 20 CHED C=CCCN(Cc1cncc(OC)c1)OCc1ccccc1 808749743 DCQYPAOPLOZQPY-UHFFFAOYSA-N 298.386 3.600 30 20 CHED C=CCn1c(CCCC)nnc1N1Cc2ccccc2[C@@H]1C 562027067 NPMBIBKOEBFZTL-AWEZNQCLSA-N 296.418 3.888 30 20 CHED C[C@H]1/C(=C\c2ccc3c(c2)OCCO3)C(=O)c2ccccc21 809159282 MNARICQYTXNNGA-HMHNVIDESA-N 292.334 3.841 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)CC1 569724887 QXKSRYZBEQSPEH-SRCQZFHVSA-N 274.408 3.712 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2ccc(F)c(F)c2)c1 806558683 JCSCSNAUHUUSJV-ALCCZGGFSA-N 288.249 3.559 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cc(Cl)cs1 803301544 SRKTVYFUKHBADV-UHFFFAOYSA-N 291.763 3.567 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 294575804 VSRKOKVCJRHWIV-SNVBAGLBSA-N 283.318 3.677 30 20 CHED CSc1ccccc1[C@H](C)OC(=O)c1ccc(C#N)cn1 800009771 ZLDKNLXFXLWVHY-NSHDSACASA-N 298.367 3.593 30 20 CHED C#CCC1(C(=O)N2CCc3cc(F)ccc32)CCCCC1 801076714 OKKFIGBGCKCGOE-UHFFFAOYSA-N 285.362 3.689 30 20 CHED C=CCCCC(=O)NCCSc1ccc(Cl)cc1 479507169 ZECPKUAFOJNFCI-UHFFFAOYSA-N 283.824 3.905 30 20 CHED C=CCCC1(C(=O)Nc2cc(CC(C)(C)C)nn2C)CC1 475781047 MYGBIUGSDWJRCQ-UHFFFAOYSA-N 289.423 3.694 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(N(CC)CCCC)cc1 479225682 ZVZBJXLPZZRJOY-UHFFFAOYSA-N 288.435 3.961 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 803439179 VMCSZDSDJMEJDO-CQSZACIVSA-N 276.763 3.920 30 20 CHED CCc1c(C(=O)/C=C/c2cn(C)cn2)oc2ccc(C)cc12 800792317 APRDFKOQLALRIN-VOTSOKGWSA-N 294.354 3.933 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2c2cc(C#N)ncn2)cc1 564518835 CBGGVQXHFOIIKQ-KDOFPFPSSA-N 292.386 3.634 30 20 CHED CN(C(=O)Cc1coc2ccccc12)c1ccccc1C#N 564136282 SYXKVKQEPIVJDV-UHFFFAOYSA-N 290.322 3.510 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ccccc1 488838639 DNEQCYLRZMAXLZ-UONOGXRCSA-N 275.417 3.734 30 20 CHED C=CCn1cccc1C(=O)N[C@H]1CCC[C@H]1c1ccccc1 488949654 SXCXUYDYFBLDLG-IRXDYDNUSA-N 294.398 3.740 30 20 CHED C=CCN(CCC(C)(C)CC(=O)O)Cc1ccccc1F 568061655 MXHKJOUXMGBNEV-UHFFFAOYSA-N 293.382 3.705 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CC[C@@H](c2ccccc2)C1 814870634 LXGZQYCTDOVODU-CYBMUJFWSA-N 296.330 3.725 30 20 CHED Cn1cc(CN2CCC[C@@H]2CC2CCCCC2)cc1C#N 483283015 QOBDACDYJSHSKT-QGZVFWFLSA-N 285.435 3.832 30 20 CHED COc1cc(F)cc(NN=C2CCC[C@H]2C(C)(C)C#N)c1 814870557 IBAWBQBMWJEIKZ-CQSZACIVSA-N 289.354 3.952 30 20 CHED CCc1ccc(C(=O)/C=C\c2c(C)nn(C)c2Cl)s1 812494846 SECHOWWAMBZAJN-SREVYHEPSA-N 294.807 3.902 30 20 CHED CSCc1cnc(C=NN[C@H](C)c2ccccc2)s1 814814914 FLWSACAWABOWSG-LLVKDONJSA-N 291.445 3.691 30 20 CHED C/C(=C/C(=O)N[C@]1(C#N)CC1(C)C)c1ccccc1Cl 813302510 ALXSDXUVODZBQO-CLOOOTJHSA-N 288.778 3.552 30 20 CHED CC[C@H]1Cc2ccccc2CN1c1ccc(C#N)c(C)n1 487761814 OSCRPKAMXIPMMV-KRWDZBQOSA-N 277.371 3.603 30 20 CHED CC#CCCCc1nc(-c2ccc(CSC)cc2)no1 576263996 FZUTVKWDOUCPSY-UHFFFAOYSA-N 286.400 3.946 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3ncccc3C)c2c1 488287026 PZKLXKPCDYNFJV-UHFFFAOYSA-N 289.338 3.697 30 20 CHED CCC(=NNc1ccccn1)c1ccc(F)cc1F 814732130 YYWKHCODRMQBIG-UHFFFAOYSA-N 261.275 3.586 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(Cc2ccc(C#N)cn2)C1 579854486 ATUSBSVKRMNJQF-UGSOOPFHSA-N 295.361 3.675 30 20 CHED C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@]1(C#N)CC1(C)C 813301136 ZMAGLHDMEJBTIP-CLOOOTJHSA-N 288.778 3.552 30 20 CHED C=CCC[C@H](NCc1ccc(CN)cc1F)c1ccco1 650754203 CXDDWJZASNIWGH-INIZCTEOSA-N 288.366 3.675 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1 480270198 MXGQNZVQTRXBNJ-OAHLLOKOSA-N 290.366 3.692 30 20 CHED CC(=NNc1c(F)cccc1F)c1csc(C(=O)O)c1 814853016 XXAJPZBQECBQGU-UHFFFAOYSA-N 296.298 3.561 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)c1ccccc1C(F)(F)F 650930225 XQQFYDFAZLFFTG-NSHDSACASA-N 285.309 3.891 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1c1ccc(C)cc1 488397290 NHULZXWAXRBZSB-KRWDZBQOSA-N 294.398 3.960 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1scc(C)c1Cl 488828874 FGXZXBYFHUNJJO-SNVBAGLBSA-N 269.797 3.891 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(O)c(CC)c1 486426245 TYUWILSTGGXJEJ-UHFFFAOYSA-N 275.392 3.773 30 20 CHED Cc1ccc2sc(C(=O)O[C@@H](C#N)C3CC3)cc2c1 810603142 ZSYZLPBDWBCSTQ-LBPRGKRZSA-N 271.341 3.669 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)c1cccc(F)c1 489856134 GQBQDISVFNYQNV-LBPRGKRZSA-N 263.356 3.648 30 20 CHED N#Cc1c(Cl)ncc2cc(Br)ccc12 725542049 ZUTNMJDJMHLYBK-UHFFFAOYSA-N 267.513 3.522 30 20 CHED C=CCCCCCN1CC[C@H](C(=O)O)[C@@H]2CCCC[C@H]21 656765469 NKFKULLLWGUARA-HRCADAONSA-N 279.424 3.698 30 20 CHED Cc1nc(N2CCC[C@H](CC(C)C)C2)ccc1C#N 488075976 LSTHMLUFSDHXCB-CQSZACIVSA-N 257.381 3.524 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 488839697 GENFNNQECDLAPV-ZNMIVQPWSA-N 291.341 3.602 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NNC[C@@H]2CCSC2)C1 811661219 GRJDWJXGEBINNC-WMLDXEAASA-N 288.460 3.827 30 20 CHED C=CCC1(NC(=O)c2ccc3cnccc3n2)CCCCC1 572254839 BMIQTGFWRPYZAX-UHFFFAOYSA-N 295.386 3.639 30 20 CHED CCOc1ccc(CN(CCC#N)CCC(C)C)cc1F 494919391 HBJWUWNQQRNAEI-UHFFFAOYSA-N 292.398 3.986 30 20 CHED C[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)s1)C1CC1 579626756 IIFDMMHFXUUINP-GFCCVEGCSA-N 296.395 3.986 30 20 CHED N#Cc1ccc(-c2ccn(Cc3ccc(F)cc3)n2)cc1 728152786 UGOUVXIEENGXCM-UHFFFAOYSA-N 277.302 3.609 30 20 CHED C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C)C1 661379360 XHBCPIQZVRISOZ-HOTGVXAUSA-N 286.419 3.610 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)Cc1cccc2[nH]ccc12 494085984 AHQHFFYWWXFXKW-UHFFFAOYSA-N 293.345 3.811 30 20 CHED Cc1cccc(OC[C@H](C#N)CCC#N)c1Br 905981372 UTARXDYTQVMYPB-NSHDSACASA-N 293.164 3.580 30 20 CHED CC[C@@H](C#N)Oc1cccc(C/N=C\c2ccccc2O)c1 733748968 OWYVRMFENAMONY-SMEDBKPVSA-N 294.354 3.692 30 20 CHED C=CCCCOC(=O)c1ccc(-c2ccccc2)nc1O 735530324 ZBRFKWBAUAETQF-UHFFFAOYSA-N 283.327 3.577 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)C#CC(C)C)cc1 828607297 SLHXPLWWBYOVFL-QGZVFWFLSA-N 269.388 3.708 30 20 CHED CC(=NNc1ccnc2cc(Cl)ccc12)c1cnccn1 734744301 KYVPLNWVMTZCBC-UHFFFAOYSA-N 297.749 3.514 30 20 CHED C[C@@H](CN(C)c1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 580608758 WFGAXJDVGVUMED-ZDUSSCGKSA-N 295.342 3.706 30 20 CHED Cc1ccc(S[C@@H](C(=O)O)c2ccc(C#N)cc2)cc1 738660451 OZZAWIQIAYYTGE-OAHLLOKOSA-N 283.352 3.785 30 20 CHED COCOc1ccc(C#N)cc1-c1ccc2c(c1)C[C@@H](C)O2 904880427 BCVZYQGXSKDMOQ-GFCCVEGCSA-N 295.338 3.531 30 20 CHED C#CCN(CC)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 737516799 BTGNIAJKFQAVRR-LBPRGKRZSA-N 297.320 3.681 30 20 CHED C#CCO[C@@H](C)c1nc([C@@H](c2cccc(C)c2)C(C)C)no1 834737052 FZTNYKRVJSBCDI-GOEBONIOSA-N 298.386 3.877 30 20 CHED CC[C@H](NCC[C@@H]1CCO[C@H](C)C1)c1cccc(C#N)c1 902950094 FURJNDYNHSSQHX-RKVPGOIHSA-N 286.419 3.804 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2N(C)C)C1 665456477 AABAESPDEDVNTL-CQSZACIVSA-N 287.407 3.573 30 20 CHED C[C@@H](C[C@@H]1CCOC1)Nc1cc(C#N)ccc1C(F)(F)F 589583423 BAJMRAXPXBJIHC-JQWIXIFHSA-N 298.308 3.804 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(Cl)cc2)C1 839044456 RPDTYRKDSSWETO-ZWNOBZJWSA-N 263.724 3.579 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1ccc(Cl)nn1 731923565 RYAOMSJKENWKLA-UHFFFAOYSA-N 288.782 3.859 30 20 CHED N#CC1(CCCCOC(=O)c2cnc3cc[nH]c3c2)CCC1 909483036 FFIGFZQIZBLLFH-UHFFFAOYSA-N 297.358 3.584 30 20 CHED C=CCNC(=S)N[C@@H](C)c1cc2ccccc2s1 730436998 OFBRJPXBQVDCBF-JTQLQIEISA-N 276.430 3.612 30 20 CHED N#CC1(CCCCn2cc(-c3cccs3)nn2)CCC1 900618610 YUINEDPNCJWMEK-UHFFFAOYSA-N 286.404 3.871 30 20 CHED C[C@H](CC#N)OC(=O)C(C)(C)c1cccc2ccccc12 835163595 ZZARGADZFROVCI-CYBMUJFWSA-N 281.355 3.963 30 20 CHED CCc1c(C(=O)OC2(C#N)CCC2)oc2ccccc12 835211424 FLGFJNLZGGACRS-UHFFFAOYSA-N 269.300 3.598 30 20 CHED CC(=NNc1ccc(Cl)cc1C)c1cc(C)nn1C 905506800 RHZAVAXRUZHRSA-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CCC(=NNc1ccc(C(C)C)cc1)c1ccn(C)n1 835018243 KDBSPFJYBTUBSI-UHFFFAOYSA-N 270.380 3.770 30 20 CHED N#Cc1cc(NCc2c(F)ccc(O)c2F)ccc1Cl 583905012 YUXHYHXTILTDSN-UHFFFAOYSA-N 294.688 3.808 30 20 CHED CN(CC#Cc1ccc(Cl)cc1)Cc1ccsc1 674249226 LCTRDDCPAJFETE-UHFFFAOYSA-N 275.804 3.885 30 20 CHED C=C(Cl)COC(=O)[C@@H](Cc1ccccc1)C(C)C 740265588 ZOYDYZFLERRYSQ-AWEZNQCLSA-N 266.768 3.797 30 20 CHED CCN(Cc1cc(Cl)sc1Cl)[C@@H](C)C#N 595817453 JAZMANDQTMBSGZ-ZETCQYMHSA-N 263.193 3.789 30 20 CHED CCc1c(C(=O)N[C@H](C#N)CC(C)C)oc2ccccc12 590628961 YMMQWZQZKWCDPG-LBPRGKRZSA-N 284.359 3.663 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](C)CCC[C@H]1C 593983774 ICGFZIGZQRZLRZ-OWCLPIDISA-N 298.430 3.774 30 20 CHED C[C@H](Sc1ccc(Cl)cc1)C(=O)OCCCC#N 916599610 XHZMGDKZTMHCRZ-JTQLQIEISA-N 283.780 3.668 30 20 CHED C=C(CNC(=O)C[C@H]1CCC[C@H]1C)c1ccccc1 672481067 JLVILIMBKMKWPQ-CZUORRHYSA-N 257.377 3.642 30 20 CHED CCO[C@H]1CC(=NNc2cncc(Cl)n2)C1(CC)CC 748249845 HIGTXISXSWDGOZ-NSHDSACASA-N 296.802 3.513 30 20 CHED C#CCOc1cccc(NC(=O)N[C@H](C)C[C@H](C)CC)c1 743147087 MEPCODHXVLXENR-ZIAGYGMSSA-N 288.391 3.645 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCCN(CC(C)C)C1 746197244 NBAWIEXMXUEQJR-KRWDZBQOSA-N 296.499 3.831 30 20 CHED CC(C)(C(=O)OCCC1(C#N)CCCCC1)C(F)F 840538887 VIJRCUIUKQYNQD-UHFFFAOYSA-N 273.323 3.685 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2nc(C)cc(O)n2)cc1 741836725 DNDGVQUWILXHBY-AWEZNQCLSA-N 296.374 3.535 30 20 CHED C=C(C)COC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 748912202 SNDPSPUWWKZGSD-CHWSQXEVSA-N 295.176 3.672 30 20 CHED Cc1ccsc1C=NNCc1ccccc1Cl 918152326 CXTAOOVMUFJQRT-UHFFFAOYSA-N 264.781 3.834 30 20 CHED COC(=O)c1ccc(CSCC2(CC#N)CC2)cc1F 596344829 YALOIYXZADEZJW-UHFFFAOYSA-N 293.363 3.539 30 20 CHED C#CCN(CC)C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 742578041 WEGBNBFKEMBFCH-BENRWUELSA-N 295.304 3.590 30 20 CHED COC(=O)Cc1ccc(NN=C[C@H]2CCCC[C@H]2C)cc1 844605662 IDYBRYPSSRZGNT-UKRRQHHQSA-N 288.391 3.626 30 20 CHED CSCCCSc1snc(Cl)c1C#N 840310890 GPHUFASOQMSXOW-UHFFFAOYSA-N 264.828 3.513 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H]1CCCc2cccnc21 845648078 BIONVUPJVAYBBU-OAHLLOKOSA-N 271.360 3.771 30 20 CHED N#Cc1cccc(NCc2sccc2Br)c1 43674700 NRCAHZBVSJOODY-UHFFFAOYSA-N 293.189 3.994 30 20 CHED Cc1ccc2cc(C(=O)N(CCC#N)CC(C)C)ccc2n1 746148890 UNYSPCLLELUCGA-UHFFFAOYSA-N 295.386 3.555 30 20 CHED CC[C@](C)(C#N)NC(=O)c1coc2ccc(Cl)cc12 593106468 SYVYUYZNZPBSND-CQSZACIVSA-N 276.723 3.508 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@H]1NCCc1ccc(C#N)cc1 595056898 SFAADXXXIUKGFN-IXDOHACOSA-N 268.404 3.515 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccc(Cl)cc1 916255421 ZUWYHJVWKFWOGO-UHFFFAOYSA-N 288.734 3.874 30 20 CHED CC#CCCCC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 680997111 QXWXSACVZBDNPX-KRWDZBQOSA-N 269.388 3.790 30 20 CHED CC1=C(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CCC1 746921501 WMLWTUPTKFOVJQ-LBPRGKRZSA-N 255.317 3.663 30 20 CHED CC#CCOC(=O)[C@@H](C)c1c(Cl)cccc1Cl 744919910 PHXLMFSBCNEZIB-VIFPVBQESA-N 271.143 3.663 30 20 CHED N#C[C@@H](C(=O)[C@@H]1Cc2ccccc21)c1nc(C2CC2)cs1 842942132 WFZBLCUXUKVWOC-KGLIPLIRSA-N 294.379 3.537 30 20 CHED C=CCN(C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1)C(C)C 744364082 YZUHYYRUBMPCFX-OAGGEKHMSA-N 281.440 3.783 30 20 CHED C(=NOCc1cccnc1)c1cccc(-c2ccccn2)c1 747764027 SJJRECVEUNOYLG-UHFFFAOYSA-N 289.338 3.694 30 20 CHED CCCCCCCCC(=O)Nc1cccc(C(=O)OC)n1 844884807 FJUXNJABPWIPIL-UHFFFAOYSA-N 292.379 3.557 30 20 CHED CC(C)c1ccc(C=NOCCOC(C)(C)C)cc1 747810397 NQPFPBIVXXYVBQ-UHFFFAOYSA-N 263.381 3.976 30 20 CHED C[C@@H](NCCCOC(C)(C)C)c1ccc(C#N)c(F)c1 595077144 OZVRPHYVYSNHNS-GFCCVEGCSA-N 278.371 3.553 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1C 593933609 GCYODVIPMLBVHS-AWEZNQCLSA-N 292.382 3.992 30 20 CHED FC1(F)CCC(=NN=c2cc[nH]c3ccccc23)CC1 842527971 NQPDMMOVDAMGPC-UHFFFAOYSA-N 275.302 3.634 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc2ncccc2c1 926332987 MBWHERHPOLXRII-CYBMUJFWSA-N 267.376 3.653 30 20 CHED C#CCCN(Cc1ccccc1O)[C@@H](C)c1ccccc1 920415775 LIAFBHSIGZAXRN-INIZCTEOSA-N 279.383 3.979 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1cc2n(n1)CCC2 841618781 IACHCKMUUZIFNH-UHFFFAOYSA-N 294.402 3.544 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)c(C#N)c1 754415396 GACVQKDFMVACQB-UHFFFAOYSA-N 296.757 3.723 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2/N=C/c1cccc(O)c1O 920177865 LWIRONUDASIBBA-ZNBBLSJYSA-N 267.328 3.513 30 20 CHED CO[C@H](C=NNc1c(Cl)cc(F)cc1Cl)C1CC1 853326489 BOTVSUAMXYLIOD-LLVKDONJSA-N 291.153 3.955 30 20 CHED C#CC[C@@H](NC(=O)c1sccc1CC)c1ccccc1 757596574 IMOQMTJAIFFYBM-OAHLLOKOSA-N 283.396 3.805 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)[nH]1 751524812 NGDQRYPVUVVNRF-UHFFFAOYSA-N 287.322 3.806 30 20 CHED CCN(C)c1ccccc1CN[C@H](C)CC(C)(C)C#N 924995895 JYJLOZMOAVVVJE-CQSZACIVSA-N 273.424 3.561 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NC[C@@H](O)c1ccc(F)cc1 850465379 BXSRYGYIWIUXHQ-RRQGHBQHSA-N 277.383 3.584 30 20 CHED C=C[C@@H](OC(=O)c1cnc2n1CCCCC2)c1ccccc1 857037648 RSLZZYKUFPVKGK-MRXNPFEDSA-N 296.370 3.694 30 20 CHED C=C(C)CON=CCc1cccc(OC(F)(F)F)c1 853369409 LKVSKLFFWLUJCP-UHFFFAOYSA-N 273.254 3.706 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1cc(F)cc(F)c1O 757473714 OBHCXQRQQNINCZ-SNAWJCMRSA-N 296.219 3.845 30 20 CHED CCCn1nc(C)c(C=NNc2cc(F)ccc2C)c1C 853393665 OVJPUKJRXNDXLU-UHFFFAOYSA-N 288.370 3.803 30 20 CHED CC(=NNc1cc(C)ccn1)c1cc(F)c(F)c(F)c1 755905788 JWRQPUPVMIXKAC-UHFFFAOYSA-N 279.265 3.643 30 20 CHED CC(C)(C)CCNN=Cc1cc2ccncc2s1 853332457 IOGDUXDTNRUWST-UHFFFAOYSA-N 261.394 3.656 30 20 CHED CC[C@H](O)c1ccc(OCCc2ccc(C#N)cc2)cc1 853667984 RXYZBSDHKSSPIR-SFHVURJKSA-N 281.355 3.623 30 20 CHED COCc1cccc(C=NNCc2cccc(Cl)c2)c1 756832979 XDFNGABLTMMWCW-UHFFFAOYSA-N 288.778 3.610 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)OCCCCC#N)cc1C 850271923 LBKROTWXDGBZHS-JKSUJKDBSA-N 271.360 3.644 30 20 CHED Clc1cccc2c1OCCCC2=NO[C@@H]1CCCCO1 755825093 UAWASQFPTJCEPF-CQSZACIVSA-N 295.766 3.760 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(C(F)F)cc1 933101712 VDFDNICUZLSWSG-UHFFFAOYSA-N 279.290 3.558 30 20 CHED Cc1cccc(C)c1CNc1cc(C#N)ccc1[N+](=O)[O-] 767195247 WSRHYJSSEWQWTF-UHFFFAOYSA-N 281.315 3.695 30 20 CHED N#Cc1cc(NCc2cccc(F)n2)ccc1C(F)(F)F 766088802 VIIRBBJMLIVKNI-UHFFFAOYSA-N 295.239 3.723 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)Cc1cccc(F)c1 768518325 BFGPZYAQAWELSV-LBPRGKRZSA-N 284.334 3.749 30 20 CHED COc1ccsc1[C@H](C)NCc1cc(C#N)ccc1F 769971436 PKVDXDNMHJSSNI-JTQLQIEISA-N 290.363 3.618 30 20 CHED C=CCOCC(=O)O[C@H](CC)c1c(F)cccc1Cl 763568373 XJQBGUTYXQMNCZ-GFCCVEGCSA-N 286.730 3.676 30 20 CHED C=C(C)CN1CCC(N[C@H](C)CCCCCC)CC1 765834866 JHILJAHDXAZZLH-MRXNPFEDSA-N 266.473 3.975 30 20 CHED COC1CCC(CC(=O)OCCCCC(C)(C)C#N)CC1 768820555 RQJSIEMDEQJUEZ-UHFFFAOYSA-N 295.423 3.845 30 20 CHED C#CCOc1ccc(CNc2ccn(CCC(C)C)n2)cc1 765258316 KQOWDWPDPNLPGF-UHFFFAOYSA-N 297.402 3.553 30 20 CHED C=CCOc1ccc(COC(=O)c2ccc(C#N)s2)cc1 763641804 JQTBOXLOOJNASO-UHFFFAOYSA-N 299.351 3.542 30 20 CHED CC(CSC(C)(C)C)=NNCc1ccc(C#N)cc1 769821086 OGHNZIXNIBQNOO-UHFFFAOYSA-N 275.421 3.555 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(Cl)c(C)c1 767047001 PBMUHSKWWQDNMW-UHFFFAOYSA-N 250.725 3.603 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)OC2CCCCC2)C1 1118782371 RXIVGWWEISIIOC-CABCVRRESA-N 279.424 3.539 30 20 CHED C#CCCCCC(=O)Oc1ccc(-c2cscn2)cc1 773781695 GTIURFPEOYAFCH-UHFFFAOYSA-N 285.368 3.909 30 20 CHED Cn1nc(C(F)(F)F)cc1-c1ccc(C2(C#N)CC2)cc1 871885569 KJXZFYFVOCGHMU-UHFFFAOYSA-N 291.276 3.661 30 20 CHED CCCCCCCCCCC(=O)N(C)c1ccn(C)n1 774172690 HSVWMCQKAXIFIC-UHFFFAOYSA-N 279.428 3.914 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cccnc2N(C)C)cc1 1117350357 IRBOJNOJQBYABE-OUKQBFOZSA-N 294.398 3.996 30 20 CHED C[C@@H](CCc1ccc(F)cc1)C(=O)[C@H](C#N)c1ccccn1 870136150 IJJUUVBCRRENQS-XJKSGUPXSA-N 296.345 3.666 30 20 CHED C#CCCCCC(=O)N1CCCc2cc(Cl)ccc21 773257454 WZQGHKXXBGYDKQ-UHFFFAOYSA-N 275.779 3.813 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(Cl)cn2)n1 871849378 ZLWPOABVXZXUOU-UHFFFAOYSA-N 277.755 3.563 30 20 CHED Clc1cnc(NN=C2CC[C@@H]3C[C@H]23)c(Cl)c1 872332370 LDEPFASHXCEFSZ-SVRRBLITSA-N 256.136 3.586 30 20 CHED Cc1nnc(-c2ccccc2Oc2ccccc2C#N)o1 1117169227 MMSYUQJFPIPFKM-UHFFFAOYSA-N 277.283 3.709 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)c1ccccc1)c1ccncc1 772063061 BIXMEEXNZNAUDV-PBHICJAKSA-N 280.371 3.619 30 20 CHED O=C1C/C(=C\c2ccc(F)c(F)c2)C(=O)c2ccccc2N1 774143241 CKJXPNGKHLNTBZ-YRNVUSSQSA-N 299.276 3.573 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc(C(C)C)nc1C 878924912 UEHLFMLGEGUCEA-UHFFFAOYSA-N 289.423 3.727 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=Cc1cnn(C(C)C)c1 777448352 NPGGFDSMKUVDEC-SFHVURJKSA-N 298.434 3.655 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)[C@H]1CCOC1 779825537 WYPOHOASPCRSJJ-ZDUSSCGKSA-N 260.381 3.808 30 20 CHED C=C(CC)C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 1123539729 VHWPUAJEUFTALD-OAHLLOKOSA-N 285.391 3.733 30 20 CHED C=C(C)CCC(=O)Nc1ccc(F)cc1OCC1CC1 1120610724 DZJPIOPZCFVXJL-UHFFFAOYSA-N 277.339 3.909 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc(C(=O)O)s1 777915372 LCPOIZDMJQPBGM-HWKANZROSA-N 290.315 3.790 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(C)cc(N(C)C)cc1C 889680853 IIBFQEZDRHDFST-UHFFFAOYSA-N 274.408 3.910 30 20 CHED O=C1/C(=C\c2cnc3ccccn23)CCc2ccc(F)cc21 776192136 IMAAGUDTONEYGB-LCYFTJDESA-N 292.313 3.686 30 20 CHED C#CCCCCCC(=O)Nc1ccc(NC(=O)CC)cc1 779849445 IBPDNVWFNAWGTI-UHFFFAOYSA-N 286.375 3.557 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2cscc2Cl)o1 771883731 HOQANNOSAGKTRX-UHFFFAOYSA-N 294.767 3.831 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc(F)cc1C 781131631 AQQUFZRGLRAZNO-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C=CCCOCC(=O)O[C@H](C)c1cccc(OC(C)C)c1 781673718 CHDCLRRHPDWYEG-CQSZACIVSA-N 292.375 3.671 30 20 CHED C=CCCCCCOC(=O)c1ccnc(Cl)c1F 784466514 DNDZHQUECBSYRK-UHFFFAOYSA-N 271.719 3.777 30 20 CHED C#CCCCC(=O)O[C@H](C)c1cccc(Br)c1 784974555 RZYGRQGHBNRLGP-LLVKDONJSA-N 295.176 3.857 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)OCCCC(C)(C)C#N 784153818 YHVJPWZZDAUKHS-HNNXBMFYSA-N 295.423 3.987 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1ccc(F)cc1O 782347658 MBTFSDTVKOJKQZ-QHHAFSJGSA-N 293.297 3.976 30 20 CHED C=CCC1(O)CCN(Cc2cccc(SCC)c2)CC1 895835350 DQODPFQXKVPHER-UHFFFAOYSA-N 291.460 3.702 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CC=C(C)CC2)c1 788646075 QMJALZWZHKUNGD-SJORKVTESA-N 284.403 3.956 30 20 CHED C=C(C)C(C)(C)c1nc([C@H](C)OCC(F)(F)F)no1 896616455 QPTUVFKAXKKKIK-QMMMGPOBSA-N 278.274 3.563 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccc(O)c(F)c1 782324974 JFROOEPUWURPGM-WAYWQWQTSA-N 289.331 3.761 30 20 CHED O=C(O)[C@@H]1CCC(=NOCc2ccccc2)c2ccccc21 788976362 XLSKZEDVOQHPAP-MRXNPFEDSA-N 295.338 3.570 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nc(C)c[nH]2)cc1 898386295 WIXPLSWVNRQVDX-UHFFFAOYSA-N 283.375 3.926 30 20 CHED CCCCCCCCCCN1CCC[C@@H]1C(=O)O 88378991 DBPAVGWJWNLVAP-CQSZACIVSA-N 255.402 3.676 30 20 CHED COCCC1(c2noc(CCCCCC#N)n2)CCCC1 896624482 OTILHXWUAMQLEJ-UHFFFAOYSA-N 291.395 3.544 30 20 CHED C#Cc1cccc(N(C)C(=O)CCC2CCCC2)c1 103032939 JADHRMLVILMXNH-UHFFFAOYSA-N 255.361 3.601 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-n2ccc(C)n2)cc1 791439820 PMIGTPDKZIPTMK-UHFFFAOYSA-N 295.386 3.703 30 20 CHED Fc1cccc(NN=C2CC[C@H]3CCCC[C@H]3C2)n1 795009956 QMNKXUUICBYZCP-NEPJUHHUSA-N 261.344 3.979 30 20 CHED CCCCCC[C@H](C)NC(=O)c1cc(C#N)oc1C 797807608 CILVMXZDMOJGKS-NSHDSACASA-N 262.353 3.548 30 20 CHED CCN(Cc1cccs1)C(=O)c1ccc(C)c(C#N)c1 799299132 WNTILOATZCGWEK-UHFFFAOYSA-N 284.384 3.591 30 20 CHED Cc1ccc(C(=O)O[C@@H](c2ccccn2)C(C)C)cc1C#N 799606667 JTNUEKYZIWMIEA-QGZVFWFLSA-N 294.354 3.816 30 20 CHED CCNc1ccc(Cl)cc1C(=O)OCC1(C#N)CCC1 793223079 OLWDGMVFYDCKKE-UHFFFAOYSA-N 292.766 3.622 30 20 CHED CCCC(=NNc1ncncc1F)C1CCCCC1 793199436 PLTCNDGEGOEHKP-UHFFFAOYSA-N 264.348 3.764 30 20 CHED C=C[C@@H](Nc1ccc(SC(C)(C)C)cc1)C(=O)OC 799977392 FACWSXMXWXCOMO-CYBMUJFWSA-N 279.405 3.717 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(SC(F)(F)F)cc1 54873160 NGXMVPIKLUCFNB-UHFFFAOYSA-N 288.294 3.787 30 20 CHED C=CCOc1ccc(CNCc2nc(C)c(C)s2)cc1 719594034 HGMGXOFBMDKALQ-UHFFFAOYSA-N 288.416 3.615 30 20 CHED Clc1cccc(CNN=Cc2cncs2)c1Cl 790180879 KYNVOKCZTDRJPF-UHFFFAOYSA-N 286.187 3.574 30 20 CHED C[C@H](CCCCO)Nc1ccc(C(F)(F)F)c(C#N)c1 278436214 JXQYJXHGAOBUHA-SNVBAGLBSA-N 286.297 3.540 30 20 CHED C/C(=C\Cl)CSCCOc1ccc(C#N)cc1 797815582 UMOCTNCHKDRQCP-DHZHZOJOSA-N 267.781 3.813 30 20 CHED Fc1ccc(CNN=Cc2ccsc2Cl)cc1F 790158357 WXIUOUNHWWGXBW-UHFFFAOYSA-N 286.734 3.803 30 20 CHED CC(C)Oc1cccc([C@H](C)OC(=O)c2ccc(C#N)o2)c1 797126514 HYLGWMJODBRAIP-LBPRGKRZSA-N 299.326 3.856 30 20 CHED CC(C)(C)C1=CCN(Cc2cc(C#N)ccc2F)CC1 559738188 SCZJPRVWILONIC-UHFFFAOYSA-N 272.367 3.876 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCCC(C)(C)C2)cc1C#N 799372396 SGCPNELCLGHSMV-OAHLLOKOSA-N 270.376 3.565 30 20 CHED FC(F)(F)CCNN=C1c2ccccc2-c2ccccc21 794546913 DLODHCOEOHSGNS-UHFFFAOYSA-N 290.288 3.961 30 20 CHED N#CC[C@H](CC(=O)OCC1=CCCC1)c1ccccc1 796915598 DZBRHLXRDYEPRS-MRXNPFEDSA-N 269.344 3.727 30 20 CHED COc1cc(F)ccc1NN=C1CCC[C@H]1CCF 794940165 RKAZDBCLLCDUTR-JTQLQIEISA-N 268.307 3.762 30 20 CHED COc1ccccc1CON=Cc1cc2ccccc2[nH]1 799118555 LDBHDMGMDRWIFW-UHFFFAOYSA-N 280.327 3.727 30 20 CHED C=CCOc1ccc(OC(=O)C(C)(C)CC=C)cc1 796933867 LTTNNSABTSUZLF-UHFFFAOYSA-N 260.333 3.759 30 20 CHED CSc1ccc(/C=C2\Cc3c(O)cccc3C2=O)s1 798231290 GNLCIKVPIRIYLD-VQHVLOKHSA-N 288.393 3.998 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H](C)c1ccccc1Cl)C(C)C 798555631 MEWQDZNQWYKUNU-DOMZBBRYSA-N 292.810 3.700 30 20 CHED CC(C)n1ccc(CNc2ccc(Cl)cc2C#N)n1 77993221 CVQJIIMVTCEFRD-UHFFFAOYSA-N 274.755 3.601 30 20 CHED CCCCCC[C@H](C)NN=C1CCC12CCOCC2 799881902 VHNYFPFEQSBMIW-AWEZNQCLSA-N 266.429 3.882 30 20 CHED O=C1/C(=C\c2cccs2)COc2cc(F)ccc21 794727322 HPMBVNQSYRODFV-TWGQIWQCSA-N 260.289 3.546 30 20 CHED CSC(C)(C)CNc1nc(C(C)(C)C)ccc1C#N 767195100 HSXBLJRNDJBDED-UHFFFAOYSA-N 277.437 3.804 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1cc(F)cc(F)c1 94826977 HFBDNXVNQDQWLI-NSHDSACASA-N 272.298 3.687 30 20 CHED CC1(CNc2ncc(C#N)cc2Cl)Cc2ccccc2C1 1162823674 TUUFNAMBNYFDMV-UHFFFAOYSA-N 297.789 3.824 30 20 CHED COc1ccc(Cl)cc1CCNCC(C)(C)CCC#N 1318724871 XEFLDFCPPWHUNF-UHFFFAOYSA-N 294.826 3.811 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC[C@H]2CCCC[C@H]2C1 1329267528 VWRGTKZNNGCYLK-CABCVRRESA-N 291.439 3.538 30 20 CHED N#Cc1ccc(COC(=O)Cc2cccc(C3CC3)c2)s1 1329975975 BZOZDZWLSGDOLG-UHFFFAOYSA-N 297.379 3.783 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc(-c2cccs2)s1 1324027085 DJQZLOCUPZEZNA-SNVBAGLBSA-N 290.413 3.755 30 20 CHED C[C@@H]1CC/C(=C\c2nnc(COc3ccc(C#N)cc3)o2)C1 1327786502 XKYVMFDNWBEVAX-ZMTLZGASSA-N 295.342 3.724 30 20 CHED CC#CCCNC(=O)c1ccc2c(c1)oc1ccccc12 1327887278 XSXILBCYOANUJI-UHFFFAOYSA-N 277.323 3.729 30 20 CHED Cc1cccc(N(C)c2nnc([C@H](C)CCC#N)n2C)c1C 1339253430 LULITACEZJIIOU-CYBMUJFWSA-N 297.406 3.607 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCc2cc(Cl)ccc21 1333555481 KOGWTDXXCIEEGN-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CC(C)(CNc1cccc(CC#N)n1)c1ccccc1F 1338234121 ZUHLVBMNUCOCKX-UHFFFAOYSA-N 283.350 3.676 30 20 CHED Cc1cccc2oc(C(=O)O[C@H]3CC[C@H](C#N)C3)cc12 1344490072 RAQZNDFHKMXHIG-RYUDHWBXSA-N 269.300 3.590 30 20 CHED N#CCc1cccc(N2CCC[C@H](c3ccccc3)CC2)n1 1342843712 QDXIEPBPJJAQRS-KRWDZBQOSA-N 291.398 3.922 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(C#N)c2C)n1 1343931088 BZJFWELVMIQMMS-UHFFFAOYSA-N 267.332 3.770 30 20 CHED CCCC(CCC)C(=O)Nc1ccc(F)cc1C#N 211851252 UPLIDTNKNTZGJQ-UHFFFAOYSA-N 262.328 3.852 30 20 CHED C=CCSCCNCc1ccc(N2CCCCC2)cc1 222062972 YGUWVGSOEVHJCA-UHFFFAOYSA-N 290.476 3.686 30 20 CHED C[C@H](OC(=O)c1cc2ncccc2o1)c1cccc(C#N)c1 1518199161 LLFSSBHTNWACKK-NSHDSACASA-N 292.294 3.617 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccc(C#N)cc2F)[C@H](C)C1 1456650062 SRUAZWCBGQKINJ-UEKVPHQBSA-N 275.323 3.679 30 20 CHED C=C(CC)C(=O)Nc1cc(Br)ccc1C 1520800265 QFLFRMMXZPDATP-UHFFFAOYSA-N 268.154 3.662 30 20 CHED COc1cc(C#N)ccc1CN[C@@]1(C)CCCC[C@@H]1C 1460213777 RBGGXMMTMOFHRQ-GUYCJALGSA-N 272.392 3.625 30 20 CHED C=C[C@@H](C(=O)N[C@H]1CCCc2occc21)c1ccccc1 1527425921 OZLVBTKEJHJPLE-ZBFHGGJFSA-N 281.355 3.743 30 20 CHED O=C(O)c1ccc(Cl)c(C=NNc2ccccc2F)c1 1602356542 BMPYPUBIRLVTKV-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CNc1ccc(C)cc1CNc1cc(C)cc(C#N)c1 1461581313 NEONIATVJFTYMR-UHFFFAOYSA-N 265.360 3.829 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(C(=O)O)sc1C 1602860906 URYUEDJYCNWWLE-VIFPVBQESA-N 296.392 3.621 30 20 CHED C=CC[C@H](S[C@@H](C)c1ccccc1OC)C(=O)O 1602850686 YCWCYDRWPGUSRT-GWCFXTLKSA-N 266.362 3.519 30 20 CHED CC[C@@H](C#N)c1ccc(-c2cc(C(=O)O)ccc2CO)cc1 1604865204 VYZLXNDSQSNQJM-LBPRGKRZSA-N 295.338 3.561 30 20 CHED CCN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](C)C#N 1618764725 RHZFLLKGHUTIEN-AWEZNQCLSA-N 294.354 3.853 30 20 CHED Cc1ccc(C#N)c(N(C)C[C@@H](C)C2CCCCC2)n1 1472850967 NUIIYZLUXHGHNJ-CYBMUJFWSA-N 271.408 3.914 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Nc2ccc(F)cc2C#N)c1 1623180241 LPIOBJUXMFORDF-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cc(F)cc(C#N)c1 1626925448 NBPXCKXZSWSBPF-LLVKDONJSA-N 277.343 3.740 30 20 CHED CC(C)c1cccc2c1N(CC1(C#N)CC1)CCC2 1646216278 VHSGOZUDQVEPOI-UHFFFAOYSA-N 254.377 3.866 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2ccc(Cl)cc2C#N)o1 1587282785 JFFAXSKIMZOUEO-JTQLQIEISA-N 288.734 3.855 30 20 CHED Cc1ccccc1SC[C@@H](C)CN(C)C[C@H](C)C#N 1652414431 YMYMZCHQTZSOCV-KGLIPLIRSA-N 276.449 3.815 30 20 CHED CCc1cccc(N(C)Cc2ccc(C#N)s2)c1 1653811507 IITREUYCZZEDBP-UHFFFAOYSA-N 256.374 3.819 30 20 CHED Cc1ccc2c(c1)CN(Cc1cccc(F)c1C#N)CC2 1652789139 XZTAVEDKBRBNRR-UHFFFAOYSA-N 280.346 3.564 30 20 CHED Cc1cccc2nc(NCc3cc(C#N)ccc3F)oc12 1655181921 LOTDASLSUZPBOJ-UHFFFAOYSA-N 281.290 3.759 30 20 CHED N#Cc1cccc(CSc2nc3ccccc3[nH]2)c1 5628304 LFCVTQLPHPKGFV-UHFFFAOYSA-N 265.341 3.727 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C#N)c(F)c1 1678225603 RGIZXAHJMDFZQZ-ABAIWWIYSA-N 289.354 3.788 30 20 CHED Cc1ccc(C=NNc2cccc(C(=O)O)c2C)cc1C 1776086619 DZWFNBBGUQATAQ-UHFFFAOYSA-N 282.343 3.756 30 20 CHED Cc1cc(Cl)ccc1NN=C1CC[C@@H](CC(=O)O)[C@@H]1C 1776104374 DANOZIQXQOXQTM-QWRGUYRKSA-N 294.782 3.937 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2cc(F)ccc2F)s1 1776113745 SQZKKHFEURRTKU-GORDUTHDSA-N 294.278 3.621 30 20 CHED C=CCCCCCN(C)Cc1c(C)nn(C)c1Cl 150882414 IZKQICDACWANDT-UHFFFAOYSA-N 269.820 3.560 30 20 CHED CC1(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CCC1 161159766 VROBTAYNAORQIY-LBPRGKRZSA-N 297.185 3.864 30 20 CHED COc1cccc(/C=N/[C@@H]2CCC[C@H](C)[C@H]2C)c1O 5288275 ZSOMUTHEMRLRFQ-PZEKQYFXSA-N 261.365 3.644 30 20 CHED C=CCC(CC=C)C(=O)Oc1cc(F)cc(F)c1 151369983 GJVIRPCOWBLCSG-UHFFFAOYSA-N 252.260 3.639 30 20 CHED C#CCOc1ccc(C(=O)N(C)c2cccc(C)c2C)cc1 151821297 IIMZFLUDZAGCDF-UHFFFAOYSA-N 293.366 3.592 30 20 CHED CC#CCCN1CCC(Oc2ccccc2Cl)CC1 157047418 KHWSYCMLNKNSSK-UHFFFAOYSA-N 277.795 3.597 30 20 CHED N#Cc1cc(NC[C@H]2CCCC[C@@H]2O)ccc1C(F)(F)F 154052018 QRHZRAZGVBFWQN-YGRLFVJLSA-N 298.308 3.540 30 20 CHED CCCCCCCC(=O)N(C)CCC1CCOCC1 154504316 IPSJTMOTKVJGBD-UHFFFAOYSA-N 269.429 3.622 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1nocc1C 159390410 LZEIPNSSCNTUQS-UHFFFAOYSA-N 277.368 3.583 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1 7717570 DKTUHVGKFBXDLC-FPYGCLRLSA-N 288.249 3.559 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)Cc1cnn(C)c1 825045176 CEQXVMDXBLIKKH-CABCVRRESA-N 265.445 3.690 30 20 CHED C#Cc1cccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c1 825227227 RUOJJPQQRBEWIG-CXAGYDPISA-N 265.356 3.674 30 20 CHED COc1cc(CN(C)[C@@H]2CCCC[C@@H]2C)ccc1C#N 234934615 LWBVXVMZNZJIAM-XJKSGUPXSA-N 272.392 3.577 30 20 CHED N#Cc1ccnc(N2CCC[C@H]3CCCC[C@@H]32)c1Cl 236029111 NRTMNMHBIOHORD-YPMHNXCESA-N 275.783 3.766 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 166999023 OMQZQJZGPMVIHY-GXTWGEPZSA-N 291.376 3.553 30 20 CHED C#CCCCCNC(=O)c1cc(F)c(Cl)cc1Cl 156591979 CJXFYSJGKFABSF-UHFFFAOYSA-N 288.149 3.666 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCc2c(O)cccc21 36852838 OMUHFGIZYZUIOR-HNNXBMFYSA-N 268.291 3.502 30 20 CHED COc1cccc(CNc2cc(Cl)ccc2C#N)c1 36954245 ZSRNIKQPPVDBQI-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1CC=CCC1 45934686 IYYVFBKCQXOIGF-INIZCTEOSA-N 255.361 3.558 30 20 CHED CC[C@H](Nc1nnc(C)c(C)c1C#N)C1CCCCC1 52343232 HBPUHRDKRIICFE-HNNXBMFYSA-N 272.396 3.736 30 20 CHED N#Cc1cc(Br)ccc1N1CCCC2(CC2)C1 302275041 SWDQFJWBFZMTHC-UHFFFAOYSA-N 291.192 3.701 30 20 CHED CC(C)[C@H]1CCCCN1Cc1cc(C#N)ccc1F 303696000 QSEZTHJOODFQKW-MRXNPFEDSA-N 260.356 3.708 30 20 CHED CCC(CC)(CNc1cc(C)nc(C#N)c1)SC 308277689 RMNGCGZWXFUPRD-UHFFFAOYSA-N 263.410 3.595 30 20 CHED N#Cc1ccc(OCc2cc(Cl)ccn2)cc1Cl 311173373 UUZRPILKMMTSLL-UHFFFAOYSA-N 279.126 3.839 30 20 CHED N#Cc1ccc(NCc2cc(Cl)sc2Cl)cn1 312750123 HBBNULUBCKCMEC-UHFFFAOYSA-N 284.171 3.934 30 20 CHED Cc1cc(C)cc(C[S@@](=O)Cc2cccc(C#N)c2)c1 94721156 LIZNZYZSRXRBDT-HXUWFJFHSA-N 283.396 3.624 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)c1ccc(Cl)c(F)c1 690493127 WMHDIPLIKCNKND-VIFPVBQESA-N 275.714 3.919 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC(F)F)cc1 393795084 OMKOFOWCFOKUHD-GFCCVEGCSA-N 255.308 3.732 30 20 CHED N#CCc1ccc(CNc2cc(F)cc(F)c2F)cc1 399176567 HXSZTMNDNYVVMN-UHFFFAOYSA-N 276.261 3.782 30 20 CHED C=C(C)CN[C@H](C)c1cccc(OC(F)(F)F)c1 775554757 XLOAWMPECZTJFH-SNVBAGLBSA-N 259.271 3.812 30 20 CHED C=C(C)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 6463914 BVBLVCJSYOZFKG-UHFFFAOYSA-N 295.795 3.802 30 20 CHED N#Cc1cc(F)ccc1COc1ccc2ncccc2c1 103136203 IIJDIACSBSKRKL-UHFFFAOYSA-N 278.286 3.825 30 20 CHED N#CC1(c2cccc(-c3ccccc3)c2)CCOCC1 118355458 HPWALGXFFPFPSP-UHFFFAOYSA-N 263.340 3.925 30 20 CHED C=C(C)COc1cc(CNCc2ccccc2)ccc1OC 57959024 YRUAJAUAFVGZED-UHFFFAOYSA-N 297.398 3.940 30 20 CHED C=C(C)COc1cc(CN[C@@H](C)C2CC2)ccc1OC 57959721 LFOTYZMSJXSYBI-ZDUSSCGKSA-N 275.392 3.538 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3c(s2)CCCC3)c1 103033753 MNRKZIIQRREDBC-UHFFFAOYSA-N 295.407 3.885 30 20 CHED CC(C)Oc1ccccc1CN(C)Cc1ccc(C#N)cc1 53331176 VLHMQGSWLLMESN-UHFFFAOYSA-N 294.398 3.977 30 20 CHED C=CCOc1ccc(OC(=O)CCCc2ccccn2)cc1 173524593 JFBVQKOIBKBSDJ-UHFFFAOYSA-N 297.354 3.575 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H](c2ccccc2)CC1 116972450 YYPQZUYVUQXRSP-WBVHZDCISA-N 286.419 3.930 30 20 CHED C=CCCCSc1nnc(Cc2ccccc2OC)o1 117552823 OIHLGZBYIDAZMI-UHFFFAOYSA-N 290.388 3.727 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](c1ncccc1C)C(C)C 115840130 QRDAYPJIUZTPGS-HNNXBMFYSA-N 289.423 3.695 30 20 CHED N#Cc1cccc(SCc2ccc([N+](=O)[O-])cc2)c1 177103292 LNOXPYLKEAQHNL-UHFFFAOYSA-N 270.313 3.759 30 20 CHED CC(C)CNc1cc(C#N)c([N+](=O)[O-])c(NCC(C)C)c1 301288168 NUKUXBBYQVEAAO-UHFFFAOYSA-N 290.367 3.602 30 20 CHED C=C(C)CCC(=O)N(C)[C@H](COC)c1ccc(Cl)cc1 1340643760 NYGYNIFPJQJXRQ-OAHLLOKOSA-N 295.810 3.842 30 20 CHED C=C(C)CS[C@H](C)C(=O)NCc1ccc(Cl)cc1 177866036 JIELVOGTOJFYIB-LLVKDONJSA-N 283.824 3.654 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](SC)c2ccccc2)c1 172400176 UEWOKCCEHJDVPJ-KRWDZBQOSA-N 295.407 3.735 30 20 CHED N#Cc1ccc(N[C@H]2CCCC[C@H]2Cc2ccccc2)nn1 301952119 CASIUFNTBZBVSM-RDJZCZTQSA-N 292.386 3.562 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1ccc(F)cc1C#N 177577063 BDOYRGIGHHGFFK-LLVKDONJSA-N 262.328 3.708 30 20 CHED N#Cc1ccc(Cl)cc1N[C@H]1CCCSC1 61574624 CPAYVEBJNMAZFT-NSHDSACASA-N 252.770 3.519 30 20 CHED Cc1cccc([N+](=O)[O-])c1N[C@H](C)c1ccc(C#N)cc1 112209187 HMXLTLUJSFNVAT-GFCCVEGCSA-N 281.315 3.948 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(C#N)s1)CO2 176406964 KFJGDFYAWGOMEM-KPKJPENVSA-N 295.363 3.895 30 20 CHED C=CCCC(=O)Nc1cccc(CN2CCCCC2)c1 60364960 MWGAKRBLGCZRFD-UHFFFAOYSA-N 272.392 3.577 30 20 CHED COc1cc(C#N)cc(Cl)c1OC/C(Cl)=C/Cl 177938494 MPEZABAOIWTRJX-YWEYNIOJSA-N 292.549 3.918 30 20 CHED CCO[C@H]1C[C@@H](/N=C/c2ccccc2O)C12CCCC2 173992604 GQDCXPORTPEZTD-QSMOJRPFSA-N 273.376 3.549 30 20 CHED C[C@@H](NCc1ccccc1F)c1ccc(OCC#N)cc1 37211940 KZPRLEQGMIIHPX-CYBMUJFWSA-N 284.334 3.579 30 20 CHED CC(C)(C)[C@H]1CCN(c2c(C#N)cnc3ccccc23)C1 128439435 CPXSJVIJUFRFAY-AWEZNQCLSA-N 279.387 3.979 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2ccccc2F)cc1 127036339 KCFVRFSHOIOVAH-GFCCVEGCSA-N 270.307 3.729 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 213637156 PCBWWLBUVIBWNW-WDZFZDKYSA-N 297.310 3.890 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1cc(C)c(C)o1 127544612 IPYTVSUBFPSVIG-UHFFFAOYSA-N 297.358 3.842 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc([C@@H]2CCC(=O)N2)c1 414312774 JUNMAPDELYYNMH-XEZPLFJOSA-N 272.392 3.650 30 20 CHED Cc1cccc2c(CCN[C@@H]3CCC[C@@H](C#N)C3)c[nH]c12 185840958 QUWXGFQBWDGVHD-GDBMZVCRSA-N 281.403 3.691 30 20 CHED C=CCC1(C(=O)N(C)[C@H]2CC[C@@H](SCC)C2)CCC1 188460712 AQBDFCAODPZKOF-UONOGXRCSA-N 281.465 3.865 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](C)c1cccc(C)c1 188445983 XLJKIYDNPBTADR-YOEHRIQHSA-N 259.393 3.817 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@@H](C)C[C@@H](C)O)c2c1 78298946 VZMZJGZWKBYLHI-GXTWGEPZSA-N 297.402 3.542 30 20 CHED C=C(C)[C@@H](NC(=O)NCCC1CC1)c1ccc(F)c(F)c1 184328113 XQVITBKEVLLESS-OAHLLOKOSA-N 294.345 3.681 30 20 CHED N#Cc1cc(C(=O)N2CCCCC[C@H]2c2ccccc2)c[nH]1 181232705 BZJRVJYKLWTUNM-KRWDZBQOSA-N 293.370 3.644 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)c1ccc(F)c(F)c1 410127415 MTSZHZKWFNLRIZ-ZYHUDNBSSA-N 267.319 3.539 30 20 CHED CC(C)(CC#N)CN[C@H](c1ccc(F)cc1)c1ccccn1 414163085 HYFBLWIBZAYFPB-QGZVFWFLSA-N 297.377 3.840 30 20 CHED C=C(C)CCN1CC2(CCOCC2)[C@H]1c1ccccc1 412010319 IEHTUPGWULJERX-QGZVFWFLSA-N 271.404 3.806 30 20 CHED N#Cc1ccc(CN[C@H]2CC[C@H](Cc3ccccc3)C2)o1 189514055 VLXLRNNYHCYVEU-CVEARBPZSA-N 280.371 3.652 30 20 CHED CCOc1cccc([C@H](C)NCc2ccc(F)cc2C#N)c1 180712467 IKTWHCLRUGTURM-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED C=C(C)[C@H](NCc1ncc(C)o1)c1ccc(F)c(F)c1 187788490 LDNXHIUSGJJMEB-HNNXBMFYSA-N 278.302 3.668 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1ccc(OCC(C)C)cc1 410115421 GVCDSHQXFBEUEN-INIZCTEOSA-N 289.419 3.735 30 20 CHED N#CCOc1ccc(CN[C@H]2CCC[C@@H](C3CC3)C2)cc1 180553816 ZDBBKXUIRBOZIV-SJORKVTESA-N 284.403 3.647 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)Cc2c(F)cc(F)cc21 121368770 HQGUUMRYKVNWPJ-OQFOIZHKSA-N 290.240 3.632 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(F)c(F)c1 500972983 LBUFRMYKGJDZKW-UHFFFAOYSA-N 288.297 3.847 30 20 CHED CCO[C@H](C)c1nc(CN(CC#N)C2CCCC2)cs1 156743741 SYLCTOZWUOEFIP-GFCCVEGCSA-N 293.436 3.509 30 20 CHED COc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c2cccnc12 185889084 YOIMFKBGAZEWGH-QWHCGFSZSA-N 281.359 3.738 30 20 CHED CCOc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 37679616 SDZCLKNQTQJRAC-AWEZNQCLSA-N 280.371 3.808 30 20 CHED CCCCN(C(=O)NC[C@H](C)C#N)[C@@H](C)c1ccccc1 182765590 MOZPDICRVUUNFK-CABCVRRESA-N 287.407 3.719 30 20 CHED N#Cc1cnc(N2CC3(CCC3)[C@@H]2c2ccccc2)c(F)c1 413293117 GTVKSXFMMVDYOY-INIZCTEOSA-N 293.345 3.824 30 20 CHED CC(C)C[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 410411848 VJDQWCAUKWOYIV-QGZVFWFLSA-N 292.467 3.845 30 20 CHED Cc1nc(NCc2cccc(C(F)(F)F)c2)ccc1C#N 313895285 QDPYHLKOIYHHHZ-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=C(C)CSc1nc(C2CC2)n(-c2ccccc2)n1 47822079 ANIGGQZITZEDRL-UHFFFAOYSA-N 271.389 3.813 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)NCc1occc1C 413560892 XOVUAKSSCSFXSO-MRXNPFEDSA-N 298.386 3.575 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cccc(Cl)c2)n1 41520391 FHRQYNQSHGHKJM-NSHDSACASA-N 276.748 3.595 30 20 CHED C[C@@H](Cc1ccccc1F)N[C@H](C)c1cccc(C#N)c1 181553111 VCDUWQSLZKEPKH-UONOGXRCSA-N 282.362 3.979 30 20 CHED CC[C@@H]1CCCN(Cc2cc(F)ccc2C#N)CC1 229959358 LTIHAAJFKLDUAM-CYBMUJFWSA-N 260.356 3.709 30 20 CHED C=CCOc1ccc(CN(C)C[C@@H](C)CC)cc1OC 509402495 XISNCHBBXCDMAV-AWEZNQCLSA-N 277.408 3.738 30 20 CHED C=C[C@H](CCC(=O)O)NCc1c(Cl)cccc1Cl 417625034 LJWQXJRPEMDQSL-SECBINFHSA-N 288.174 3.502 30 20 CHED C=C(C)COc1cc(CN(C)[C@H](C)CC)ccc1OC 507157849 CILCIRFOBSZWQU-CQSZACIVSA-N 277.408 3.880 30 20 CHED C=CCn1c(S[C@H](C)c2n[nH]c(C)n2)nc2ccccc21 412978164 MURNXOXWBOMNJC-SNVBAGLBSA-N 299.403 3.502 30 20 CHED OC(=Nc1ccc(C2CCC2)cn1)[C@H]1CCCCO1 329308159 PZWZZPQYFYYCAV-CYBMUJFWSA-N 260.337 3.506 30 20 CHED C[C@@H]1CCN=C(O)[C@@H]1/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329119072 OWUVHQHYXXORSZ-GZBLMMOJSA-N 292.423 3.914 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C(/O)[C@H]1CCC(=O)c2cccn21 329848967 NNGFAMLJDBWXDL-VNHYZAJKSA-N 288.391 3.931 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1CCC1CCCC1 501739589 AZCQHGITPBPAKU-OAHLLOKOSA-N 276.424 3.888 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)o1 506995093 PMFGTGJTMUIRPW-LSDHHAIUSA-N 294.354 3.607 30 20 CHED C#CCCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 192138074 CRJZREZTYQJQEV-XJKSGUPXSA-N 273.351 3.539 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(C)Cc2ccc(C#N)cc2)C1 131297720 RTVRPCAACKVOQY-RHSMWYFYSA-N 284.403 3.733 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(Br)c2)C1 379814633 QUPMORKZMUFVRJ-SKDRFNHKSA-N 265.154 3.553 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H](C(C)(C)C(=O)O)C1 134975555 DJEJAFAMAIOSRF-CQSZACIVSA-N 297.439 3.696 30 20 CHED CCn1cc(C(=O)/C=C/c2sccc2Cl)cn1 195337184 IXOXHPGQJDRTJA-ONEGZZNKSA-N 266.753 3.514 30 20 CHED Cc1cc(C#N)ccc1OCC(=O)Nc1cccc(C)c1C 130595526 FBUKTOMUQJECNZ-UHFFFAOYSA-N 294.354 3.501 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)oc1C 160327916 GBLCMVGGAGSIQS-UHFFFAOYSA-N 274.707 3.674 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2c(Cl)cccc21 424723668 PYKOTTMGHAOMJT-UHFFFAOYSA-N 263.768 3.831 30 20 CHED N#Cc1cccc(CN[C@H]2C[C@@H]2C2CCCCC2)c1 610271482 NCKRNYKUMAIKMO-SJORKVTESA-N 254.377 3.617 30 20 CHED CCN(CCC#N)C(=O)CCC(C)(C)c1ccccc1 132555164 MLFJMQXDPRJANC-UHFFFAOYSA-N 272.392 3.507 30 20 CHED C[C@@H]1CCCC[C@H]1OCC(O)=Nc1cccc2c1OCO2 329327244 XCOKBTZFEILHDY-DGCLKSJQSA-N 291.347 3.599 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H]1c1cccc(F)c1 610505646 PRHITJYLCCCNMZ-OAHLLOKOSA-N 260.356 3.902 30 20 CHED Cc1cc(COC(=O)c2cccc(CC#N)c2)c(C)s1 194848656 NKMFXCWENFUANV-UHFFFAOYSA-N 285.368 3.788 30 20 CHED CC[C@@H]1C[C@H](C(O)=Nc2cnc3c(c2)CCCC3)CCO1 329326221 WMUYJRBISWBJIC-UKRRQHHQSA-N 288.391 3.754 30 20 CHED Cc1c(C(=O)N[C@H](C)C2CC2)sc2ccc(C#N)cc12 429845521 CPYVRDUZXQZXEA-SNVBAGLBSA-N 284.384 3.610 30 20 CHED C[C@H](CCN(CC#N)C1CCCC1)c1ccccc1 193986596 MJWWGKDEPFSZHM-OAHLLOKOSA-N 256.393 3.948 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 425634074 VOHUNJFYOYQAGV-ZQDZILKHSA-N 291.439 3.535 30 20 CHED COc1cc(OC)c(N[C@@H]2CCC[C@@H](C#N)C2)cc1Cl 193072511 PRPVCEGGSXQBRA-GHMZBOCLSA-N 294.782 3.851 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1sccc1C#N 518876681 UUHOXKNZTKIOIR-MNOVXSKESA-N 262.378 3.775 30 20 CHED C#C[C@H](NCc1ccc(Cl)c2cccnc12)C(C)C 381657289 PFQCDAIIJHGRLV-HNNXBMFYSA-N 272.779 3.636 30 20 CHED C#CCCCC(=O)Nc1cccc2c1CN(CCC(C)C)C2 192267436 RWUUXHABKHACEL-UHFFFAOYSA-N 298.430 3.790 30 20 CHED C[C@@H](Cc1cccc(F)c1)N[C@@H](C)c1ccc(C#N)cc1 222691027 MVECKFQAGZVVAV-KBPBESRZSA-N 282.362 3.979 30 20 CHED C=CCOCCN[C@@H](C)c1ccc(-c2ccncc2)cc1 339069962 BCTYEGZKMHSEGT-HNNXBMFYSA-N 282.387 3.602 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cn(C(C)C)cn2)c1 336919204 FEMLMZJNJPSVKV-UHFFFAOYSA-N 299.374 3.671 30 20 CHED CCCN(C)c1cc(C)c(C#N)c2nc3ccccc3n12 195732211 QWJLCAHVNLIRKV-UHFFFAOYSA-N 278.359 3.514 30 20 CHED CC1(C#N)CCC(Nc2ccc3c(c2)CCN3)CC1 335054964 PBGBBCYWKYDJNQ-UHFFFAOYSA-N 255.365 3.539 30 20 CHED CN(C)c1cccc([C@@H]2CCCN2[C@@H]2CC[C@H](C#N)C2)c1 339006002 MKXVASQTQRFKRR-QGTPRVQTSA-N 283.419 3.582 30 20 CHED Cc1cc(N/C(O)=N/CC2(O)CCCC2)cc(C)c1Cl 331264990 GXFOKNDHVDOCHP-UHFFFAOYSA-N 296.798 3.588 30 20 CHED CC[C@]1(C)CCN(C(=O)Nc2cc(C#N)ccc2C)C1 336044964 OUZLEIYYBOKRCP-MRXNPFEDSA-N 271.364 3.521 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(F)c(F)c2)no1 424226605 XYZQQPQRSKMPFN-UHFFFAOYSA-N 264.275 3.869 30 20 CHED CCCn1c(S[C@H](C)C#N)nnc1-c1cccc(C)c1 97603655 HTVHOVFVUCBMBF-GFCCVEGCSA-N 286.404 3.668 30 20 CHED C[C@@H](O)[C@@H](C)Sc1c(C#N)cnc2c(Cl)cccc12 335479993 ATSGKEHAFPRSJV-RKDXNWHRSA-N 292.791 3.621 30 20 CHED C[C@@H](N[C@H](CCCN)c1ccccc1)c1ccc(C#N)cc1 423503074 MLAOJKNFEQHHMG-DNVCBOLYSA-N 293.414 3.689 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 337775896 XSAYFJNSIUZPGG-PBHICJAKSA-N 282.387 3.662 30 20 CHED C[C@@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)CC(C)(C)C 617984578 SFWQKYZZHQMUTB-UONOGXRCSA-N 278.440 3.990 30 20 CHED CCc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 425121889 CIJGKHWMFFHCEF-CQSZACIVSA-N 292.382 3.954 30 20 CHED CC[C@H](/N=C(/O)N1CCC[C@H]1C(C)C)c1c(C)noc1C 330462450 BHLFDWCQGBEUIP-KBPBESRZSA-N 293.411 3.777 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CC2 336146394 VLCMRNFHVRZHSN-INIZCTEOSA-N 268.385 3.705 30 20 CHED C=CCCc1ccccc1NC(=O)C1C[C@@H]2CC[C@H](C1)C2=O 337137712 OLMBUPFKXZNCTP-XYPWUTKMSA-N 297.398 3.749 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(Cl)c(Cl)c1 234028408 CWWKWQJCQYFVOV-MRVPVSSYSA-N 271.147 3.527 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC1CCC(F)(F)CC1)CC2 335721752 LUHWZNFTXWAMQV-OAHLLOKOSA-N 276.330 3.713 30 20 CHED CC[C@@H](C)CN(C)C(O)=Nc1cnn([C@H](C)CC)c1C 331107507 GZGKPSQTLACLRV-VXGBXAGGSA-N 280.416 3.686 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc(F)c2ccccc2c1 338974505 YQZHZNRJILQISJ-LBPRGKRZSA-N 284.334 3.601 30 20 CHED Cc1ccc(C(=O)N2CCC(CC#N)CC2)c2ccccc12 334826571 GOABPUIAZCQSHN-UHFFFAOYSA-N 292.382 3.914 30 20 CHED Cc1nc2c(n1Cc1ccc(Cl)cc1C#N)CCCC2 516089797 XOHIRDFUPJLONB-UHFFFAOYSA-N 285.778 3.644 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(Cl)cc(C(F)(F)F)c1 437584770 YAPNKMWFOGCXRM-VIFPVBQESA-N 290.716 3.950 30 20 CHED C=CC[C@H](CC)NC(=O)c1nc(-c2ccco2)sc1C 337083552 BPBQGHYTSUQXHL-NSHDSACASA-N 290.388 3.796 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1CCCO[C@H]1C 330177359 KQQOADSDIQDUTH-GXTWGEPZSA-N 299.374 3.788 30 20 CHED C[C@@H]1C(=O)CC[C@@H]1CC(O)=Nc1cnc2c(c1)CCCC2 330030273 RIHDVKYSTZYROY-NWDGAFQWSA-N 286.375 3.554 30 20 CHED C=CCC(C)(C)CNC(=O)NCCSc1ccccc1 432094235 UEFGBLLPJWYGIE-UHFFFAOYSA-N 292.448 3.680 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NCC#Cc1ccc(F)cc1 433416974 HIWQXQFSJHICGQ-UHFFFAOYSA-N 284.290 3.506 30 20 CHED C=CCC[C@@H](NCC[C@@H]1CCOC1)c1ccccc1 346860122 INJTUCPYHNPRRF-NVXWUHKLSA-N 259.393 3.710 30 20 CHED CC(C)c1ccoc1C(=O)N[C@@H](C#N)c1ccccc1F 341456361 PPYFRDIGPKZECU-AWEZNQCLSA-N 286.306 3.537 30 20 CHED CCCc1csc(CNCC(C)(C)CCC#N)n1 342294473 HIQUIRCIOARYPT-UHFFFAOYSA-N 265.426 3.515 30 20 CHED CCc1cc(C(=O)NCC(C)(C)CCC#N)sc1C 345960831 LSWZPKAJMUNNAR-UHFFFAOYSA-N 278.421 3.679 30 20 CHED C=CCCC(=O)NCCC12CC3CC(CC(C3)C1)C2 523228760 XNGNTSLANUGNRC-UHFFFAOYSA-N 261.409 3.675 30 20 CHED C=CCCN(C)c1nc(C(F)F)nc2ccccc12 341547076 ZZILAWNIEQFASG-UHFFFAOYSA-N 263.291 3.580 30 20 CHED CCc1nc([C@H](C)NCc2ccc(CC#N)cc2)cs1 348310121 AMNBANDMQBLKHW-LBPRGKRZSA-N 285.416 3.622 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1cccc(F)c1 432562435 KSECWSBJDDUMKC-UHFFFAOYSA-N 278.371 3.569 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(CC#N)c1 246097406 AYZJTTRIJVTDSW-FRFSOERESA-N 282.387 3.546 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(F)cc1C#N 523449490 KTGKUDAYWUVKKM-GFCCVEGCSA-N 298.336 3.956 30 20 CHED CCCC[C@@H](CC)CNC(=O)C1(c2cccc(C#N)c2)CC1 435050445 LNUAGWQUCJRHOI-OAHLLOKOSA-N 298.430 3.922 30 20 CHED CC[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 437428475 DLDWNMPBSLQMCR-CQSZACIVSA-N 294.345 3.924 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CCC(CCC)CC1 435731283 JATWNTGXTOKHEB-MYBQVCMBSA-N 265.441 3.916 30 20 CHED CCS[C@H]1CCCCN(C[C@@H](C)CCC#N)C1 602476029 VBWYKAUVKNADCR-KBPBESRZSA-N 254.443 3.534 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1 254972677 VXASUEUBBVUHCM-ALCCZGGFSA-N 273.719 3.640 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)s1 604028806 QGFSUWMKVZZAMJ-SRVKXCTJSA-N 288.416 3.947 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)o1)c1cc2cccc(F)c2o1 349516613 GTUGRNSGYMMZKZ-SECBINFHSA-N 298.273 3.528 30 20 CHED C=CCN(CC=C)C(=O)c1csc2ccccc12 345444847 UNNKZFWUUHFGSS-UHFFFAOYSA-N 257.358 3.716 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ncccc1Cl 342317569 DBRPRXYYHUDSKJ-UHFFFAOYSA-N 286.762 3.563 30 20 CHED N#Cc1ccnc(N[C@@H]2CCCOc3cc(Cl)ccc32)c1 342938789 NPFVFYOKKQTXQO-CQSZACIVSA-N 299.761 3.932 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc([N+](=O)[O-])c(O)c1 255020730 OLIZQPYINMSPGI-HYXAFXHYSA-N 289.312 3.566 30 20 CHED CCOc1cc(C)ccc1CNC1CCC(C)(C#N)CC1 449187892 JLZXJBLGHHZQBR-UHFFFAOYSA-N 286.419 3.956 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 604898231 LKLUCOJBRVCRSB-MLGOLLRUSA-N 290.382 3.931 30 20 CHED Oc1ccc(/C=N\Cc2cccc3ccccc23)c(O)c1O 255126388 REFPHOPTRSWOCA-ODLFYWEKSA-N 293.322 3.576 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1ccc(Cl)c(Cl)c1 448581124 ISKZUYXLSIRQFB-ITMYJUKJSA-N 297.185 3.720 30 20 CHED CC(C)Oc1ccccc1[C@H](C)NCc1cccc(C#N)n1 602514756 QGOQYSVISYMZFV-AWEZNQCLSA-N 295.386 3.591 30 20 CHED C[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 355283030 AGSAFBIVNXNPQZ-WBVHZDCISA-N 284.403 3.723 30 20 CHED CC[C@@H]1Cc2c(cccc2-c2cccc(C#N)c2)CN1 600775624 KJUQRDCSZIMZMS-MRXNPFEDSA-N 262.356 3.650 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H]1C1CCC1 358958697 PJACRVHAEHJPKT-HNNXBMFYSA-N 286.423 3.501 30 20 CHED CC(C)[C@H]1N(C(=O)c2ccccc2CC#N)CC12CCCC2 601623233 VHILMKXHPPGPMC-QGZVFWFLSA-N 296.414 3.793 30 20 CHED N#CCCN[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 600758809 WUXCDDJOEZUUIG-AWEZNQCLSA-N 273.767 3.702 30 20 CHED C=C(C)CSCC(=O)NCCCSc1ccccc1 357042999 TZGLVLPTTTYFQI-UHFFFAOYSA-N 295.473 3.594 30 20 CHED CC(C)CC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 441293802 MTSIRJYYZBVSGZ-AWEZNQCLSA-N 290.794 3.847 30 20 CHED C=CCn1c(S[C@@H](C)C(C)C)nnc1-c1ccccn1 352153174 LHDAWIGMVSAIDA-LBPRGKRZSA-N 288.420 3.663 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2c(F)cc(F)cc2C1 442684818 VWXMAUSNGLZTSX-GFCCVEGCSA-N 298.336 3.956 30 20 CHED C=CC(C)(C)C(=O)Nc1ncc(Cc2ccccc2)s1 448724336 KRNVDYUXNLGGKJ-UHFFFAOYSA-N 286.400 3.885 30 20 CHED C[C@H](OCCCNc1cnccc1C#N)c1ccccc1 269978587 QJBNWUFACJOLRE-AWEZNQCLSA-N 281.359 3.533 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H](C)CCC)cc1 359406500 XDTUBUOORIFOPR-ZDUSSCGKSA-N 261.365 3.512 30 20 CHED CCCN(CC)C[C@@H](C)N[C@@H](CC)c1ccc(C#N)cc1 353481925 LDWHVRWTRMSEOE-QAPCUYQASA-N 287.451 3.719 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1csc([C@@H](C)OC)n1 269049242 IBRVYCUHWCUSGB-SDDRHHMPSA-N 268.426 3.541 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(Cc3ccccc3)CCC2)C1 442831725 WWCGSQYOGYALBC-IAGOWNOFSA-N 268.404 3.681 30 20 CHED N#CCCN(CCC#N)Cc1ccc(-c2ccccc2F)o1 354194771 RCGSWGHUOIJLDB-UHFFFAOYSA-N 297.333 3.715 30 20 CHED Cc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1 269636574 WGWYSSSJSBFSKQ-UHFFFAOYSA-N 262.356 3.646 30 20 CHED CCCn1c(CN2CCC[C@](C)(C#N)C2)nc2ccccc21 612406833 VDJQITSLRQNGFW-GOSISDBHSA-N 296.418 3.572 30 20 CHED CCCCCCCC(=O)Oc1ccccc1C(=O)N(C)C 267582274 NFXODBKWOMMTCY-UHFFFAOYSA-N 291.391 3.654 30 20 CHED C[C@H](Cc1ccsc1)N[C@@H]1CCc2cc(C#N)ccc21 618805839 PHMWZVVFYFOMQY-SJKOYZFVSA-N 282.412 3.828 30 20 CHED C=C(C)COCCN[C@@H]1c2cccc(F)c2CC[C@H]1C 539060533 TUQBHGKPTQXDQD-DYVFJYSZSA-N 277.383 3.631 30 20 CHED C=CCC1(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)CCCC1 619108070 OOFZBOBHPUFYDB-LBPRGKRZSA-N 289.423 3.525 30 20 CHED C=CCCC1(C(=O)NCC2(c3cccc(F)c3)CC2)CC1 356144151 MCVVCTQEGGMBRH-UHFFFAOYSA-N 287.378 3.720 30 20 CHED CCc1nnc(CSCc2ccc(CC#N)cc2)s1 612022624 YSBAVLZMUPILIY-UHFFFAOYSA-N 289.429 3.600 30 20 CHED COc1ccc2ccccc2c1CNc1cccnc1C#N 357306251 SJPCVKSHPGZAIF-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=CCN(C(=O)c1ccc(Oc2ccccc2)nc1)C1CC1 357485163 DTFIHZDJSJVYHE-UHFFFAOYSA-N 294.354 3.665 30 20 CHED CCCCCCCC(=O)NC[C@@H](CCO)c1ccccc1 267978784 OGDSSOSOXXTTPY-QGZVFWFLSA-N 291.435 3.629 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@H](CC)c1ccccc1 537612889 INOFXSFICPSBET-GOEBONIOSA-N 274.408 3.834 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)CCC(C)(C)C)OCC 535211073 PLPLMYRXOQSTCQ-UONOGXRCSA-N 269.429 3.689 30 20 CHED CC(C)(NC(=O)c1ccc(CC#N)cc1)c1cccc(F)c1 536207211 PTCHXFDPZMECIM-UHFFFAOYSA-N 296.345 3.557 30 20 CHED COc1cc(C#N)cc(OCC#Cc2cccc(Cl)c2)c1 616953962 IAMQBDPCMZGEPJ-UHFFFAOYSA-N 297.741 3.651 30 20 CHED C=CC(C)(C)C(=O)N(C)c1ccc(OC)c(Cl)c1 450149255 BEBXKRNURLDQSB-UHFFFAOYSA-N 267.756 3.524 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccco1)Cc1ccco1 455313537 QWGUTHNAVKWZAN-UHFFFAOYSA-N 288.347 3.551 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(F)ccc(C)c2F)C1 617781415 LUCJJJABZNREIV-GFCCVEGCSA-N 279.330 3.702 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1CCC(F)(F)F 270288590 AEHZZSZRLSNHOV-NSHDSACASA-N 285.309 3.876 30 20 CHED CCOC(=O)c1cccc(SCC2(C#N)CCC2)c1 450930564 KNSCXHFBASCYPJ-UHFFFAOYSA-N 275.373 3.649 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CCOC(C)(C)C1 455597960 DNOFTUGAOSXOGH-OAHLLOKOSA-N 296.455 3.579 30 20 CHED C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 279521553 BFVLKIMZUTYGJU-AWEZNQCLSA-N 292.382 3.979 30 20 CHED Cc1cccc2c(N3CCC[C@@H](C)C3)c(C#N)cnc12 610211097 SBHIJTFODNIDFZ-GFCCVEGCSA-N 265.360 3.651 30 20 CHED CC[C@H](NC[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(C#N)cc1 365804357 DVDDRARUVNGMPS-GBESFXJTSA-N 298.430 3.804 30 20 CHED COc1cccc(CCCn2nc(C#N)c3ccccc32)c1 541409965 RSIPMANDDBQSEY-UHFFFAOYSA-N 291.354 3.549 30 20 CHED C=CCC1(CNC(=O)c2ccoc2Cl)CCCC1 456511711 TWBMIYYCNDWKSW-UHFFFAOYSA-N 267.756 3.799 30 20 CHED C=CCC[C@@H](NC[C@@](C)(CC)OC)c1ccco1 453291878 BZJWRSVNTORHEI-UKRRQHHQSA-N 251.370 3.692 30 20 CHED C=CCOCCOc1ccc(Br)cc1Cl 549011486 AMSUWPANCIQDHT-UHFFFAOYSA-N 291.572 3.684 30 20 CHED CCc1c([C@@H](C)NCCCC#N)oc2ccccc12 273294447 STIYSTZZDOWHHN-GFCCVEGCSA-N 256.349 3.950 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C)c(OC(F)F)c1 454795507 WXBXACZOEMDLAX-UHFFFAOYSA-N 284.306 3.684 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 454898122 JDFNQLYIADULTJ-UHFFFAOYSA-N 284.281 3.501 30 20 CHED C=C(C)CCNC(=O)C1(c2ccccc2F)CCCC1 456123135 PPGSCPWTUUEDIT-UHFFFAOYSA-N 275.367 3.720 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1C[C@H]2CC[C@H]1O2 450310120 CCARMGZQAPGNOH-GUDVDZBRSA-N 298.430 3.584 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(C(F)(F)F)c(F)c1 626623705 KGZWJDXJAXQUMH-ZETCQYMHSA-N 276.233 3.541 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OC(C)(C)C)cc1 276061867 IVNSJQDJZNATFR-UHFFFAOYSA-N 276.380 3.904 30 20 CHED CC(C)CCCCC(=O)N[C@H](C)c1ccc(C#N)cc1 457416892 HIBJWEVZIUFYAL-CQSZACIVSA-N 272.392 3.952 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](COc2ccccc2)C1 272654043 ZYQFEJBMWNKIKP-INIZCTEOSA-N 286.419 3.717 30 20 CHED CC/C=C(\C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 378352330 BQHRNRDUUHDURC-LNKIKWGQSA-N 280.371 3.530 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Cc1ccccc1C 623989273 QXHUKBRXZMOWSQ-HNNXBMFYSA-N 259.393 3.598 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1CCCO1 375296166 PAHYHZVNQWCQRL-CABCVRRESA-N 267.413 3.517 30 20 CHED C=CCC[C@H](NCc1ccc2c(c1)OCO2)c1ccco1 276438756 KDWNODUYDBVCNP-AWEZNQCLSA-N 285.343 3.805 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1C 465242999 PPXSWTVJZMKMQQ-KGLIPLIRSA-N 271.364 3.567 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1cccc(C(F)(F)F)c1 281102245 AMZXCALENONYJX-BXUZGUMPSA-N 284.325 3.918 30 20 CHED CC1CCC(C)(CNC(=O)[C@H](C)c2cccc(C#N)c2)CC1 462310578 DAPYZYKJTDOGRO-XAUUPUKJSA-N 298.430 3.994 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(F)cc1F 280719347 UVTGDNUUSUNBRI-WQGACYEGSA-N 281.346 3.597 30 20 CHED C=CCCN[C@H](CCO)c1cc(Cl)cc(Cl)c1 626101636 YZXSDPCMAAHVNP-CYBMUJFWSA-N 274.191 3.583 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1c(C)noc1C)C(C)(C)C 622944690 AZHZOZGTWMJKCG-LLVKDONJSA-N 278.396 3.598 30 20 CHED C=CCN(c1nnc(-c2ccccc2)n1CC(=C)C)C1CC1 460558402 ZIFNQSJUOHRORB-UHFFFAOYSA-N 294.402 3.676 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/CCc2ccccc2C1=O 281007998 OFNQCHGHPRAUGK-GDNBJRDFSA-N 280.371 3.985 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 465107774 JPWYXCINJXAERM-HJIKLVIJSA-N 284.186 3.788 30 20 CHED CC(C)O[C@@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C 556606017 PUXCMHXVCGFJAB-IAGOWNOFSA-N 298.430 3.729 30 20 CHED CC#CCSCc1coc(-c2c(F)cccc2F)n1 464078675 YWDPPOZKNCYYDN-UHFFFAOYSA-N 279.311 3.876 30 20 CHED CSc1ccccc1[C@@H](C)NC[C@H](C#N)CCC#N 283593416 SGXFBKVQWVDEED-OLZOCXBDSA-N 273.405 3.503 30 20 CHED C=CCN(CC=C)Cc1ccn(-c2ccc(Cl)cc2)n1 466833663 WDRFLSFKSQJFHD-UHFFFAOYSA-N 287.794 3.700 30 20 CHED Cc1nsc(N(C)CCc2ccc(Cl)cc2)c1C#N 557576384 VNCFASFKNHKMPP-UHFFFAOYSA-N 291.807 3.656 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(C(CC)CC)c1CC 466526666 CNSYJSSMTJKMLW-CYBMUJFWSA-N 291.439 3.891 30 20 CHED CC(C)(C#N)CCCOc1ccc(-c2nncs2)cc1 281143263 KBCHGTHKSCWTII-UHFFFAOYSA-N 287.388 3.914 30 20 CHED C=CCC(C)(C)c1noc(Cc2cc(C)ccc2OC)n1 556363137 DKOHNXPKYUJLGY-UHFFFAOYSA-N 286.375 3.831 30 20 CHED C#C[C@@H](CC)NCc1ccc(Oc2ccccc2)o1 809686332 LNYQDTTTWCTSRP-ZDUSSCGKSA-N 255.317 3.573 30 20 CHED C=CCCCCCCNC(=O)C[C@@H]1CCC[C@H](OC)C1 805218330 WTLFTMBHHUJDCU-CVEARBPZSA-N 281.440 3.834 30 20 CHED N#Cc1c(Cl)cccc1N[C@@H]1CCO[C@@H](C2CC2)C1 295059315 PFKHSCAFVWWKJP-IAQYHMDHSA-N 276.767 3.581 30 20 CHED CC(C)[C@@H](NCCO[C@H](C)C#N)c1ccccc1Cl 801940065 UZIUSMXCMSLGKF-IUODEOHRSA-N 280.799 3.555 30 20 CHED C=CCCCCCCNC(=O)Cc1ccsc1 805221626 TVMMZFWDKDKSFM-UHFFFAOYSA-N 251.395 3.543 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 295107295 HEEAKUTYWVTQFX-HIFRSBDPSA-N 275.367 3.790 30 20 CHED C=CCCOCCN[C@H](C)C1CCC(C(F)(F)F)CC1 474890908 YCBLAGIITOEVJM-IYXRBSQSSA-N 293.373 3.926 30 20 CHED Cc1csc(NC(=O)N2CCC[C@H](C)[C@H]2C)c1C#N 565165145 WRLJPCXRVOVEBA-GXSJLCMTSA-N 277.393 3.581 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2nc(Cl)cs2)co1 806557359 AHYWGUISKJTUPM-ONEGZZNKSA-N 282.752 3.804 30 20 CHED N#CCCC1CCN(CC#Cc2ccc(Cl)cc2)CC1 563709215 QDPCFKBJWQUQFE-UHFFFAOYSA-N 286.806 3.707 30 20 CHED C[C@H](CNC(=O)CCCC#N)c1c(Cl)cccc1Cl 291703516 NWJDZQHQAZSKOR-SNVBAGLBSA-N 299.201 3.907 30 20 CHED C=CCCCCCCNC(=O)NC(C)(C)C1CC1 807568994 ARYYENLOWPJKKP-UHFFFAOYSA-N 252.402 3.611 30 20 CHED CCCc1ccc(COc2ccc(F)nc2C#N)cc1 808044812 IRHWUVSLKSQEBS-UHFFFAOYSA-N 270.307 3.624 30 20 CHED C=CCCc1noc(-c2ccc(C(F)(F)F)nc2C)n1 297464514 YCXSICAMCQQOEZ-UHFFFAOYSA-N 283.253 3.577 30 20 CHED CC(C)CNc1nnc(SCC2(C#N)CCCC2)s1 806585993 DXWRYKGFXWNDLC-UHFFFAOYSA-N 296.465 3.782 30 20 CHED CC(C)C[C@H](NCCO[C@@H](C)C#N)c1ccc(Cl)cc1 801937951 AEEXMOFVMDPCJU-BBRMVZONSA-N 294.826 3.945 30 20 CHED C#Cc1ccc(CNc2ccc(-n3ccc(C)n3)cc2)cc1 809664907 OJBHVEIUTMNORB-UHFFFAOYSA-N 287.366 3.774 30 20 CHED C=CCC[C@H](NC[C@@](C)(CO)Cc1ccccc1)C1CC1 477865906 UBFTZQLMRXCMQG-OALUTQOASA-N 287.447 3.562 30 20 CHED C#CCC1(C(=O)NC[C@H]2CCCC(F)(F)C2)CCCCC1 800045449 KXGLWCBAEKHTOF-AWEZNQCLSA-N 297.389 3.902 30 20 CHED C=CCCC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 294701256 VFXICGUWYPZJAQ-INIZCTEOSA-N 257.377 3.531 30 20 CHED Cc1cc(OCc2nnc(C3CC3)s2)c(C)c(C)c1C#N 569336281 NLWGUVFFBGZERE-UHFFFAOYSA-N 299.399 3.791 30 20 CHED Cc1ccc(CSc2ncn(CC3(C#N)CCC3)n2)cc1 561227895 BTJKPLOKFPPRPM-UHFFFAOYSA-N 298.415 3.573 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 560580940 LQZLTEMXLDSCOY-AVGNSLFASA-N 257.381 3.814 30 20 CHED Cc1cc(C)c(C#N)c(SCc2csc(Cl)n2)n1 806582825 YQKWJVKWLKKPOJ-UHFFFAOYSA-N 295.820 3.972 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1c(F)cccc1Cl 807977321 ITONJIIXHKXXQY-UHFFFAOYSA-N 298.148 3.786 30 20 CHED C#CCC1(C(=O)NCCCC(C)(C)COC)CCCCC1 807705806 PENXCRJWEJCDSO-UHFFFAOYSA-N 293.451 3.529 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](CC)CC1CCCCC1 561014690 GESFERCQWGOGIS-MRXNPFEDSA-N 276.424 3.911 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)C1(OC)CCOCC1 817419091 ATYKTDINXVEOAA-HZPDHXFCSA-N 283.456 3.685 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCc2cc(C#N)ccc21 561064914 OTVXFSFDSACKFD-UKRRQHHQSA-N 282.387 3.664 30 20 CHED C=C(C)CCOC(=O)Cc1c[nH]c2cccc(Cl)c12 814525748 PIHFZPUTXIFPOD-UHFFFAOYSA-N 277.751 3.873 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 814833131 YZKSUJKQJUAGQO-JHJVBQTASA-N 271.351 3.673 30 20 CHED C=CC[C@H](C)[C@@H](C)NC1(c2cccc(OC)c2)CC1 560570295 AEOFOBUNDFEJKN-UONOGXRCSA-N 259.393 3.875 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](c2ccccc2)C1(C)C 817505929 DNWPNAYXIOONCX-KRWDZBQOSA-N 283.415 3.975 30 20 CHED c1nc(NN=C2CC[C@@H]2C2CC2)c2c3c(sc2n1)CCC3 814725835 DKNUCARTDVTWGC-SNVBAGLBSA-N 298.415 3.768 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 488969726 JSKMDGZPMDUYIE-IAGOWNOFSA-N 286.419 3.615 30 20 CHED C=CCCCCOC(=O)c1ccc(C(F)(F)F)cn1 811013062 IMJPGPCRJOQELQ-UHFFFAOYSA-N 273.254 3.614 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)c1nccs1 814779885 USHNOIGHVNDVCA-UHFFFAOYSA-N 289.363 3.995 30 20 CHED N#CCOc1ccc(CN2CC[C@H](C3CCCC3)C2)cc1 817282515 FTNVZKBUIGSGDO-KRWDZBQOSA-N 284.403 3.601 30 20 CHED C=CC(C)(C)CNC(=O)Cc1coc2cc(C)ccc12 572360547 KVEAGKGQTGHMLC-UHFFFAOYSA-N 271.360 3.612 30 20 CHED C=CCCCNC(=O)N(C)[C@H](C)CSc1ccccc1 651068208 NBCIIGZBNGTTHD-CQSZACIVSA-N 292.448 3.775 30 20 CHED N#CCc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 816569331 HXEHCXSVRSTMLR-UHFFFAOYSA-N 290.725 3.863 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H](c2ccccc2)C1)C(C)(C)C 814336536 WHKUFCRRNSXRMP-IRXDYDNUSA-N 298.430 3.624 30 20 CHED CC(C)CCN(CCC#N)CCCc1ccccc1 484898781 GHKQBJXWOOHCEC-UHFFFAOYSA-N 258.409 3.881 30 20 CHED CC[C@@H](CC#N)NCc1csc(CCc2ccccc2)n1 573456342 ZBOVQILTMIHMGR-HNNXBMFYSA-N 299.443 3.710 30 20 CHED C#CCOc1cccc(NC(=O)N(C)[C@H](C)CCCC)c1 810183600 AXOOXAQFLLVCOI-CQSZACIVSA-N 288.391 3.741 30 20 CHED Cc1cccc2c1CCC2=NNc1ccccc1F 729143200 JVNVOWRMVJWTIJ-UHFFFAOYSA-N 254.308 3.897 30 20 CHED C=CCn1cccc1C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 488735324 OTFFCWFFXYTBKB-RHSMWYFYSA-N 280.371 3.507 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(C)c1Cl 578849277 YUSJKSDQVVDPIJ-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C#C[C@@H](C)N(C)C(=O)NC1CCC(C)(c2ccccc2)CC1 812174493 RFUHQNGUCPGGJN-LSJNQWAISA-N 298.430 3.550 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C#N)s2)c1 486649361 GQXHFSPJEUSSSJ-HNNXBMFYSA-N 296.395 3.906 30 20 CHED C=CC1CCN(c2nnc(CCC(C)C)n2C2CC2)CC1 573010052 IHSINNBYYSMWPN-UHFFFAOYSA-N 288.439 3.604 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc(O)c1OC 491182562 LRELXDFYRHNFOR-UHFFFAOYSA-N 297.398 3.632 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCCCCC#N 494619131 UIIOEZJHDQMILD-KGLIPLIRSA-N 279.428 3.536 30 20 CHED CC(C)=CCC[C@H](C)CC=NNc1ccc(C)nn1 729936359 QVRGYDGFJGBCAA-ZDUSSCGKSA-N 260.385 3.955 30 20 CHED Cc1cccc2c(C(=O)OCC3(CC#N)CC3)coc12 820138732 IKQPBOHLPZGENY-UHFFFAOYSA-N 269.300 3.592 30 20 CHED C=C[C@H](CC)CC(=O)NC(C#N)(CCC)CCC 903876949 PZHWUYPIURDAOY-CYBMUJFWSA-N 250.386 3.567 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cc(Cl)c(Cl)cc1O 903101789 MHQXXNQQVRQNRC-MRVPVSSYSA-N 287.190 3.899 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cncn2C(C)C)c1 901429889 FHWAPGSMLIXLGU-BQYQJAHWSA-N 268.360 3.977 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)C(C)(C)C 734709797 ZVBNQLCBGZOGEI-QWRGUYRKSA-N 270.332 3.686 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(Cl)cnc1Cl 905851789 AHFSGUIVFVPPKL-MRVPVSSYSA-N 273.163 3.929 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2ccc(Cl)c(F)c2)C1 839059427 POSPMXNCUDQRMU-NEPJUHHUSA-N 295.741 3.647 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(OCCOC)cc1 584771578 QJHXXFGNNOJBAY-OAHLLOKOSA-N 291.435 3.965 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCC[C@]1(C)C(=O)O 901734270 XZXAHQRVRKUZHZ-LZWOXQAQSA-N 267.413 3.744 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 494870633 IWWGJWDEPZWVEY-ZCFIWIBFSA-N 277.126 3.829 30 20 CHED C=CC[C@@H]1CCCN(Cc2cc(COC)cs2)C1 668494364 YCAPXBNEDGNCNI-CYBMUJFWSA-N 265.422 3.683 30 20 CHED C=CC[C@@H]1N(c2nnc([C@H](C)CC)n2C)CCCC1(C)C 582514288 GISRWVLWOVSIND-KGLIPLIRSA-N 290.455 3.900 30 20 CHED Cc1ccc(Cl)cc1NN=Cc1c(C2CC2)cnn1C 901317256 JLGUMLHQKROSIW-UHFFFAOYSA-N 288.782 3.705 30 20 CHED N#CCCCCCC(=O)NC1(C(F)(F)F)CCCCC1 588927056 JOAXUNNXXYZVEX-UHFFFAOYSA-N 290.329 3.842 30 20 CHED CC(C)(Oc1ccc(C#N)cc1)c1nc(C2CCCC2)no1 903277228 YJLKGIGOZMIEJD-UHFFFAOYSA-N 297.358 3.913 30 20 CHED Cn1c([C@@H](C#N)C(=O)C(C)(C)C2CCC2)nc2ccccc21 835034495 BMTNQDOPCUYJFH-ZDUSSCGKSA-N 295.386 3.576 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(C(F)(F)F)c1 837306927 DBFJUGPLWZGFKT-UHFFFAOYSA-N 269.266 3.693 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(C#N)cc1C)CCO2 586780198 KRIMNEOIJBLHIZ-UHFFFAOYSA-N 292.382 3.570 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@H](C3CC3)C2)cc1F 835009687 AWZBGSCNSHVRIK-NSHDSACASA-N 290.338 3.892 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 586760611 CVPVMDYJAMPQOD-PKOBYXMFSA-N 298.430 3.716 30 20 CHED CCc1cccc(Cl)c1C=NN[C@@H](C)C(F)(F)F 834997668 HNQFNIDUGXXMCI-QMMMGPOBSA-N 278.705 3.777 30 20 CHED N#CC1(CCSC2=NCCS2)CCCCC1 839978050 FHFFEWALRBMIOR-UHFFFAOYSA-N 254.424 3.687 30 20 CHED Cc1cccc(C)c1C(=O)OCc1ccccc1C#N 738710298 IMJHMUWRMPOECE-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CCCCCCCCCn1cnc2c(N(C)C)ncnc21 731566637 CPEQVBRUBGDCHH-UHFFFAOYSA-N 289.427 3.643 30 20 CHED Cc1ccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cc1 912825388 WWCDEFIOHHJQJR-UHFFFAOYSA-N 286.285 3.596 30 20 CHED Cc1nc2ccccc2cc1C(=O)O[C@@H](C#N)C(C)(C)C 835290162 BIJKZKXCVVHROE-HNNXBMFYSA-N 282.343 3.638 30 20 CHED CCCC[C@@H]1CCCC1=NN[C@@H](C)C(F)(F)F 835003549 ZFSWJEKYIXTKFW-VHSXEESVSA-N 250.308 3.873 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1cccc(OC(F)F)c1 915984054 GMBFLEDMQINANE-VOTSOKGWSA-N 292.285 3.524 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)CCCCCC#N)C1 590888725 SUGYZGIZEMGMLM-KKUMJFAQSA-N 264.413 3.791 30 20 CHED C=C(C)CNC(=S)N(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 917597523 LOVZRJKYGZXQSL-KKUMJFAQSA-N 292.492 3.728 30 20 CHED C=CCN(C(=O)[C@@H](C)CCOc1ccccc1)C(C)C 744503515 HYXNDMMDSHNCFB-HNNXBMFYSA-N 275.392 3.515 30 20 CHED C=CCNC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 591840844 IQAUAVJYAKEXKM-UHFFFAOYSA-N 294.223 3.648 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1N 911664650 XKJOIYPKKCVFGW-SECBINFHSA-N 286.297 3.828 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2cccc(C#N)n2)C1(C)C 591103754 CSCGRVBJEOWREI-ZDUSSCGKSA-N 299.418 3.630 30 20 CHED C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](CC#N)C1 595613344 BILSIFOWJCOOED-QWHCGFSZSA-N 275.396 3.659 30 20 CHED CC1(C)CCC(CC(=O)N2CCC[C@@H](CC#N)C2)CC1 597907869 JFZIGFWDUHJIJN-HNNXBMFYSA-N 276.424 3.745 30 20 CHED CC(CCc1ccco1)=NNc1ccc(C#N)cc1 915961601 BZCXJKBQEMACBO-UHFFFAOYSA-N 253.305 3.572 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1cc(C)n(C)n1)C2=O 840721386 SXLHCIGBLTXKKF-UVTDQMKNSA-N 280.371 3.558 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccc2c(c1)CCC2 916240624 INMUEEYSPYFUOO-UHFFFAOYSA-N 294.354 3.710 30 20 CHED CC(C)c1[nH]ccc1C(=O)OC[C@H](C#N)Cc1ccccc1 845483342 LCXJPYFEZJJJIO-HNNXBMFYSA-N 296.370 3.677 30 20 CHED CCC[C@@H](C(=O)NCCCC#N)c1cccc(Cl)c1 599751327 TVMLCXHQPLIQSE-CQSZACIVSA-N 278.783 3.644 30 20 CHED N#CCCCC(=O)NCCCc1c(Cl)cccc1Cl 594117994 KXDDXDRYIWKEDZ-UHFFFAOYSA-N 299.201 3.736 30 20 CHED Cc1c(NN=C2CCCC2(C)C)cccc1[N+](=O)[O-] 749855647 RQEILWWHGBFHRL-UHFFFAOYSA-N 261.325 3.881 30 20 CHED Clc1cnc(NN=C2CCC[C@@H]3C[C@H]23)c(Cl)c1 841610264 JRSBFOKMWXLIRF-APPZFPTMSA-N 270.163 3.976 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(COC)cs1 849247668 VQKNZOGEWLOZTN-PLNGDYQASA-N 287.384 3.748 30 20 CHED N#CCCCCOC(=O)CCc1ccccc1Cl 914618334 WIIOXHSYXNYKRK-UHFFFAOYSA-N 265.740 3.510 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(C)c(-c2ccccc2)s1 845236430 SIZJWZHOTBRQFP-NSHDSACASA-N 285.372 3.607 30 20 CHED C=C[C@@H](CC(=O)O[C@H]1CCC(C)(C)C1=O)c1ccccc1 840381418 DIHCZVXBQJTYDH-ZFWWWQNUSA-N 286.371 3.647 30 20 CHED CO[C@H](C/N=C/c1cc(Cl)ccc1O)CC(C)C 841482690 UOAXYGOEIRJWOH-MJOIQJIUSA-N 269.772 3.526 30 20 CHED CCCC[C@H](C(=O)N(C)c1ccccc1C#N)C(C)C 598820785 WGKLRHSEWJNJEH-HNNXBMFYSA-N 272.392 3.983 30 20 CHED C/C(=C/C(=O)OCc1ccc(OCC#N)cc1)C(C)(C)C 745597808 LHGAISLDPAIJHB-QBFSEMIESA-N 287.359 3.625 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC1(C2CCC2)CC1 593716398 BNFIPYFOMZEEPZ-KRWDZBQOSA-N 266.388 3.858 30 20 CHED CC[C@@H](C)[C@H](C)NC1CCN(Cc2cccc(C#N)c2)CC1 593701934 IBERCYHKRRHAEN-CVEARBPZSA-N 299.462 3.547 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 682415907 NZMWWMYCYYTFLP-UHFFFAOYSA-N 299.374 3.998 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cc2n(n1)CCC2 841636114 GNZNPFJIGQCJLG-UHFFFAOYSA-N 282.391 3.536 30 20 CHED CC[C@H](CC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597914360 UXNKSZDZAWNJIT-HZPDHXFCSA-N 284.403 3.723 30 20 CHED COc1cccc(/C=N\CCOc2ccc(C)cc2C)c1O 743341053 QSGRJLKQHMGFCL-UNOMPAQXSA-N 299.370 3.516 30 20 CHED C=CCCCCCN[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 848561198 WIGBGRXONGXYPX-AWEZNQCLSA-N 296.455 3.578 30 20 CHED C#CCCCCCC(=O)Nc1cc(-c2cccs2)on1 844152822 ABWRSFMZVUVYNJ-UHFFFAOYSA-N 288.372 3.925 30 20 CHED Cc1ccc(Br)c(OCC2(CC#N)CC2)c1F 596279785 PGNOPVLUPQSDDM-UHFFFAOYSA-N 298.155 3.969 30 20 CHED CC(C)N(CCC#N)Cc1cc(Br)ccc1F 42530708 PYIIFZMMZGDQLA-UHFFFAOYSA-N 299.187 3.712 30 20 CHED C/C(=C/C(=O)NC(C)(C)C#N)c1cccc(C(F)(F)F)c1 742651549 MZVLIIQKMLZTJV-YFHOEESVSA-N 296.292 3.527 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1cccc(C2CC2)c1 840612489 HGAVRVZLIAHCFW-UHFFFAOYSA-N 285.387 3.980 30 20 CHED CCn1ncc2ccc(N[C@@H](C)CC(C)(C)C#N)cc21 926066425 MJNCPHYUXVHRCB-LBPRGKRZSA-N 270.380 3.796 30 20 CHED Oc1ccc(-c2ccccc2)cc1C=NOCC(F)F 758904942 WJCJSQLVTRLPKH-UHFFFAOYSA-N 277.270 3.675 30 20 CHED CCC(CC)CC(=O)O[C@H](C)c1ccc(C#N)cc1 759471178 AUJYTQAQKMBHAW-GFCCVEGCSA-N 259.349 3.989 30 20 CHED C#CCCCCNC(=O)NCc1ccc(C(C)(C)C)cc1 758722588 AJUJRTNNMQYWEO-UHFFFAOYSA-N 286.419 3.587 30 20 CHED CC(C)[C@H]1C[C@H](CC(=O)O[C@H](C)CC(C)(C)C#N)CCO1 851205339 FEZUNOVLCGKFCU-RBSFLKMASA-N 295.423 3.699 30 20 CHED CC(/C=C\C(=O)c1cc(O)cc(O)c1)=C/c1ccccc1 753715376 CJIAVMNCEHDXQU-VBKTUFRMSA-N 280.323 3.940 30 20 CHED C[C@H]1CCC(=NO[C@H]2CCCCO2)c2ccccc21 755813078 CAUNYRVFPXGICF-LRDDRELGSA-N 259.349 3.831 30 20 CHED CC[C@@H]1CCCC[C@@H]1OCC(=O)O[C@H](C)CC(C)(C)C#N 851205373 FSBZEUIIUPNFTG-KFWWJZLASA-N 295.423 3.843 30 20 CHED Oc1ccc2c(c1)CCCC2=NNc1ncccc1Cl 750933946 DWBXJMTTZBNZFY-UHFFFAOYSA-N 287.750 3.593 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H](C)Oc1ccc(F)cc1 925154327 BHVQOFVFWDDAMZ-STQMWFEESA-N 278.371 3.511 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccccc1 920063047 VKFBKVFVORHEQP-KTKRTIGZSA-N 254.333 3.603 30 20 CHED C[C@H]1C[C@H](NCc2ccc(N(C)CCC#N)cc2)CC[C@H]1C 757997650 PWCNQQPSBRJBDW-SOLBZPMBSA-N 299.462 3.951 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1F)c1cccnc1 758016291 FKMWDURHEFPPJR-NKZTZDQQSA-N 271.266 3.812 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1c[nH]nc1-c1ccccc1 851208390 TUKWRSGOUJHVDU-LBPRGKRZSA-N 297.358 3.562 30 20 CHED Fc1ccc(C=NO[C@@H]2CCCCO2)cc1C(F)(F)F 755813806 JAEIFXJKZQGTFJ-GFCCVEGCSA-N 291.244 3.722 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)C[C@H](O)c1ccco1 850441671 FPISQQZCDVKTHD-WCVJEAGWSA-N 277.408 3.816 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)c1ccsc1)c1ccccc1 757577362 GTTRJNMROGKEAE-XJKSGUPXSA-N 283.396 3.732 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)c(O)c1 757477006 WQJLWKABLNBRFK-HWKANZROSA-N 290.265 3.581 30 20 CHED CSCCC=NNc1nc(-c2ccc(Cl)cc2)no1 755723982 YJOMDSGUZKONOI-UHFFFAOYSA-N 296.783 3.541 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(F)ccc2O)cc(C)c1O 757468609 SLVVTRWVEQRKDU-HYXAFXHYSA-N 286.302 3.750 30 20 CHED C#Cc1cccc(N(C(=O)C[C@H](OCC)C(=C)C)C(C)C)c1 755895871 MJPIBCBVNHIVBN-SFHVURJKSA-N 299.414 3.781 30 20 CHED CC(=NNc1ccccn1)c1sc(C(C)C)nc1C 751130216 UKCSASITJIFSJR-UHFFFAOYSA-N 274.393 3.806 30 20 CHED CC(=NNc1ccccc1)c1ccc(N2CCCC2=O)cc1 751329422 RHSAIDJLLXYUSD-UHFFFAOYSA-N 293.370 3.650 30 20 CHED CC(=NNc1cccc(C)n1)c1csc(C(C)C)n1 863160309 YQLWVEQQTJOOHH-UHFFFAOYSA-N 274.393 3.806 30 20 CHED C[C@H](OC(=O)C1Cc2ccccc2C1)c1cccc(C#N)c1 763965751 YJZNAYMKGGIRQA-ZDUSSCGKSA-N 291.350 3.577 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C)c(-c3ncco3)c2)CC1 930416613 HKIMBINVZJEQHI-UHFFFAOYSA-N 297.358 3.834 30 20 CHED Fc1cccc(Cl)c1NN=Cc1cnc2ccccn12 769828524 HBSHNOQVGGUKPM-UHFFFAOYSA-N 288.713 3.573 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(C2CCCCC2)cc1 767231580 FJFNRLUMNBFZBR-CQSZACIVSA-N 269.388 3.828 30 20 CHED COc1cc(OC(=O)C[C@@H]2CCC[C@H](C)C2)ccc1C#N 767154246 OBVMLRYAHPPPPU-QWHCGFSZSA-N 287.359 3.689 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cccc(OC)c1 766772307 PMRJYHRZHNOQSV-BQYQJAHWSA-N 267.328 3.549 30 20 CHED Cc1ncc([C@@H](C)Nc2snc(Cl)c2C#N)s1 866055705 CKMVEWATURWSNI-RXMQYKEDSA-N 284.797 3.606 30 20 CHED C=CC1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 761512265 PJGKNHSUROYWAZ-UHFFFAOYSA-N 280.755 3.646 30 20 CHED CCCOc1ccc(COC(=O)C(C#N)(CC)CC)cc1 860198361 SKFLTBPHNCTRMV-UHFFFAOYSA-N 289.375 3.849 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1ccc(Cl)cc1C 768809867 JQSQAXUGAVFAJS-LLVKDONJSA-N 283.824 3.572 30 20 CHED CCCCCCCNC(=O)c1c(C)nn(CC)c1Cl 862358640 POUCVUNLPDOROY-UHFFFAOYSA-N 285.819 3.565 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ncc(C(C)(C)C)s1 860724423 LJGUWFBQRKLYBA-UHFFFAOYSA-N 294.420 3.814 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 761350821 YORNBWFHLBGYEX-WMLDXEAASA-N 288.387 3.895 30 20 CHED C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 868960581 ZGSLYFJTVWBIRH-CXAZRYOKSA-N 274.408 3.567 30 20 CHED CC(C)Oc1ccc(NC(=O)CC#Cc2ccccc2)cc1 1116270635 CORDQRXKFDHPEV-UHFFFAOYSA-N 293.366 3.854 30 20 CHED CSc1ccc(C(C)=NOCC(F)(F)F)cc1 764840126 MVOCQZPGSHRBCA-UHFFFAOYSA-N 263.284 3.711 30 20 CHED Cc1ccc(-c2cccc(C=NN3CCCC3=O)c2)cc1 769590001 QPQAWGIIRNJWTK-UHFFFAOYSA-N 278.355 3.618 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)CC#Cc1ccccc1 1116270811 NBKVFUFLTALUCA-MRXNPFEDSA-N 289.378 3.796 30 20 CHED C#C[C@@H](C)N(C)Cn1c(=S)oc2ccc(Cl)cc21 766666367 QYUJHDDYQCBJMW-SECBINFHSA-N 280.780 3.528 30 20 CHED CCc1ccc(C=NNc2nc(C(F)(F)F)cs2)o1 760259496 IGBJIQSARBDFID-UHFFFAOYSA-N 289.282 3.763 30 20 CHED C=CCCCCCN(C)C(=O)/C=C\c1ccc(O)cc1 764158438 FMHVWFGRQHYELJ-RAXLEYEMSA-N 273.376 3.610 30 20 CHED C=CCCN(OCc1ccccc1)[C@H](C)c1ncccn1 1119761002 JLKWKIXHCSIZCR-OAHLLOKOSA-N 283.375 3.548 30 20 CHED C[C@H](C#N)COC(=O)c1cc(C2CC2)nc2ccc(F)cc12 770934828 ANYIQXNGRJBNFF-SNVBAGLBSA-N 298.317 3.568 30 20 CHED C=C(CC)COC(=O)/C=C\c1ccc2[nH]ccc2c1 773543054 BXNQNVODECWBKB-ALCCZGGFSA-N 255.317 3.691 30 20 CHED O=C(/C=C/c1cnc(C2CCC2)s1)c1ccncc1 776188447 QTAFXCARYKRGJM-SNAWJCMRSA-N 270.357 3.702 30 20 CHED C=CC(C)(C)CC(=O)N(C)CCCc1ccc(OC)cc1 878372686 MOSAFHXNBKKXKL-UHFFFAOYSA-N 289.419 3.689 30 20 CHED C=CCCOCCCCC(=O)Oc1ccc(C)cc1 775644780 UYJDDDBRAKCKQT-UHFFFAOYSA-N 262.349 3.663 30 20 CHED C#CCCCCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 779946744 FLWDHKBTVAHVMY-PMPSAXMXSA-N 261.409 3.750 30 20 CHED C=CC1CCN(Cc2cc(Cl)cc(F)c2O)CC1 775695284 SITRYGUQKOXCJD-UHFFFAOYSA-N 269.747 3.583 30 20 CHED N#Cc1cc(/C=C\C(=O)c2cccc(F)c2F)ccc1F 776267809 FGMQUPYJIQNNTR-ALCCZGGFSA-N 287.240 3.872 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 776383539 UDBRBCBLNAIFLI-ZIAGYGMSSA-N 291.778 3.927 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCCOC[C@@H]1C 772987999 DUXPTJLWJLUBCP-HOTGVXAUSA-N 298.471 3.803 30 20 CHED C=CCCCOC(=O)c1c(OC)ccc(SC)c1OC 775960562 JCYATHBVZBZGHV-UHFFFAOYSA-N 296.388 3.549 30 20 CHED CC(=NOC1CCOCC1)c1ccc(Cl)c(Cl)c1 774434249 IMLOBUVTSGSDLH-UHFFFAOYSA-N 288.174 3.913 30 20 CHED C=C1CCN(Cc2cc(Br)cc(C)c2O)CC1 775681008 LZWRXPUDKHLRCM-UHFFFAOYSA-N 296.208 3.615 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)C1CCSCC1 777446809 UAZMKHISPBXAJG-UHFFFAOYSA-N 297.355 3.665 30 20 CHED CCC(=O)N(C)c1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 883314867 RBILQDXBPRCFGP-HIFRSBDPSA-N 285.391 3.554 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1OC 774123094 MLVDBEQJCXEGHI-FMKPAKJESA-N 272.392 3.818 30 20 CHED C#CCCCCCC(=O)OCc1ccccc1Cl 779713551 PIIOGLPFCRSJBD-UHFFFAOYSA-N 264.752 3.967 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccncc2CC)c1C 776191024 DUARPZKXQBNECL-BQYQJAHWSA-N 297.402 3.763 30 20 CHED CC(C)(C#N)CCCOC(=O)CCc1c[nH]c2ccccc12 779797938 HJJBEMLCZKWQKM-UHFFFAOYSA-N 298.386 3.974 30 20 CHED CCC1(O)CCC(Nc2nc3ccccc3cc2C#N)CC1 771702559 JJTSXLOKMZIFQD-UHFFFAOYSA-N 295.386 3.602 30 20 CHED C[C@@H]1CSC(SCc2ccc(C#N)cc2Cl)=N1 783985779 KBGBVJKPFLSGND-MRVPVSSYSA-N 282.821 3.936 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1cncs1 782329198 ZMHBAFGAGNJLLZ-DUXPYHPUSA-N 266.325 3.587 30 20 CHED CC1(C)CCC[C@H](NC(=O)/C=C/c2ccccc2C#N)C1 785607447 UMRSFLHXWUQLRQ-SCOAYWHSSA-N 282.387 3.656 30 20 CHED CC(C)CN(CC(C)C)C(=O)CC1(C#N)CCCCC1 1124695712 XKXFKSURBUFXAU-UHFFFAOYSA-N 278.440 3.991 30 20 CHED Cc1cccc(NC(=S)N2CCC[C@](C)(C#N)C2)c1C 783773442 LBPNKYFCXCHVMH-MRXNPFEDSA-N 287.432 3.626 30 20 CHED C=C[C@H](C)ONC(=O)Nc1scc(C(C)(C)C)c1C#N 888226199 UNFAHJQELCGQPL-VIFPVBQESA-N 293.392 3.545 30 20 CHED Cc1ccc(C2CC(=NN[C@@H]3CCOC(C)(C)C3)C2)cc1 780247746 VCGIUVLWLMNSDJ-OEMAIJDKSA-N 286.419 3.776 30 20 CHED CC(C)C(=NNCCc1ccccn1)C1CCCCC1 789112080 BDAMYXSJIJOXPL-UHFFFAOYSA-N 273.424 3.806 30 20 CHED CCOc1cc(C=NN[C@@H]2CCCC2(C)C)ccc1OC 782303607 XOEXMBKNOXDQOR-MRXNPFEDSA-N 290.407 3.596 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccc2[nH]ncc2c1 783866822 KPTKIOUIULGWSB-RYUDHWBXSA-N 256.353 3.787 30 20 CHED CCC(CC)[S@@](=O)CCCCC1(C#N)CCC1 899280688 VOXMNGYEWIBBHW-KRWDZBQOSA-N 255.427 3.788 30 20 CHED C=CCC1(O)CCN(C[C@@H](CC)c2ccccc2)CC1 895835613 IUVZZEFAOBWWOS-MRXNPFEDSA-N 273.420 3.583 30 20 CHED CC(=NN=CCCCc1ccc(C)c(C)c1)c1cnccn1 783848151 DICGMBKJENJQRH-UHFFFAOYSA-N 294.402 3.911 30 20 CHED C#Cc1ccc(NCc2c(C)nn(C(C)C)c2C)cc1 898500243 ZTNVNXLCICZLRU-UHFFFAOYSA-N 267.376 3.674 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(-c2ccco2)s1 787092015 ASAANWUALWEXFC-SNVBAGLBSA-N 275.329 3.857 30 20 CHED C[C@H](C#N)Oc1ccc(CNCC2CC(C)(C)C2)cc1 780588469 BHFHFQOKZKNLOQ-CYBMUJFWSA-N 272.392 3.503 30 20 CHED C=C1CC(c2noc(COc3ccc(Cl)cc3)n2)C1 896890120 HXRQHZZQDZSWSL-UHFFFAOYSA-N 276.723 3.736 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(CCO)cc2)no1 896843802 YBLQIZXFVSXJFV-UHFFFAOYSA-N 284.359 3.507 30 20 CHED C#CCOc1cccc(NC(=O)c2cccc(Cl)c2C)c1 783351928 SMNBCOSIJWBHTQ-UHFFFAOYSA-N 299.757 3.913 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1ccc(F)c(F)c1 899342204 RTLWWNOPQCIUHO-DAXSKMNVSA-N 288.297 3.782 30 20 CHED C#CCOc1cc(F)ccc1NCc1cc2ccccc2[nH]1 788520250 HTTILWAVAZJTIE-UHFFFAOYSA-N 294.329 3.931 30 20 CHED CC(C)[C@@H](O)C(C)(C)CNc1ccc(C#N)c(Cl)c1 301837564 YGUKFMUJRTYJFT-CQSZACIVSA-N 280.799 3.667 30 20 CHED N#CCCN(Cc1sccc1Br)CC1CC1 81043723 KUQRWAMUNOLSIH-UHFFFAOYSA-N 299.237 3.636 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(SC(C)C)cc1 791201054 MMQHLSYXKMEPEX-CQSZACIVSA-N 275.417 3.719 30 20 CHED CC(C)c1occc1C(=O)OCc1ccc(C#N)cc1F 796392461 AHPPHJIGTUCWIX-UHFFFAOYSA-N 287.290 3.771 30 20 CHED Cc1nc(Oc2ccc(F)c(Cl)c2)ccc1C#N 386012029 VMMJVZQRAIQGRN-UHFFFAOYSA-N 262.671 3.847 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](CC)c1ccc(F)cc1F 791072575 DDAISVPYVGIFGS-WFASDCNBSA-N 294.345 3.517 30 20 CHED Cc1ccccc1[C@H](C)N(CCO[C@@H](C)C#N)CC(C)C 792923191 BJWKQTUVNOTMIG-IRXDYDNUSA-N 288.435 3.943 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CCCCC)C(C)C 798041287 ZWSWYMIKJUJLNN-IKGGRYGDSA-N 295.467 3.936 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)o1 796148755 POQJCVBPOIEKBE-UHFFFAOYSA-N 295.216 3.527 30 20 CHED C=CCC[C@H](C(=O)NOC[C@@H](C)CC)c1ccccc1 794869629 IVEYFQQVKUEHHV-HOCLYGCPSA-N 275.392 3.830 30 20 CHED C=CCCCOC(=O)Cc1ccc(Br)cc1 735524153 ZSKFJJNHEWZRMS-UHFFFAOYSA-N 283.165 3.501 30 20 CHED C=CCCCOC(=O)CCc1ccccc1Cl 735529121 VTJKALYTJFGFDG-UHFFFAOYSA-N 252.741 3.782 30 20 CHED COc1ccccc1CON=Cc1c[nH]c2cccc(F)c12 799118030 UYWHRFWYDWVADA-UHFFFAOYSA-N 298.317 3.866 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)/C=C\c1ccccc1C#N 799464452 ZKHBAIIZODQLQQ-KVPUOBJLSA-N 269.344 3.693 30 20 CHED C=CC[C@@H](CC)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 799035307 WMRRJOOMYCUMOM-CQSZACIVSA-N 295.304 3.528 30 20 CHED C=CCCCC(=O)OCC(=O)c1csc2ccccc12 795535549 ORLFDDXAVPPIOE-UHFFFAOYSA-N 288.368 3.984 30 20 CHED C#CCCCNC(=O)Nc1ccccc1-c1csc(C)n1 797668182 LFZJVIUHRVEMDE-UHFFFAOYSA-N 299.399 3.653 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccnn2C(C)C)c1C 794943389 YGJDJMFOASIOGU-HJWRWDBZSA-N 268.360 3.977 30 20 CHED CCCCCCCCN[C@H](c1nccn1C)C1CC1 775629340 HOYADKVZBMQEKC-HNNXBMFYSA-N 263.429 3.821 30 20 CHED N#Cc1cc2c(nc1NCc1ccc3c(c1)CCC3)CCC2 1319088648 PXXUSMRRPJJLRZ-UHFFFAOYSA-N 289.382 3.543 30 20 CHED CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1CC1(C)C 1174907649 OSAUMYLHWKLABQ-OAHLLOKOSA-N 270.420 3.966 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1ccnc(C)n1 1320737527 KRASRIXBRHVCLY-UHFFFAOYSA-N 295.173 3.928 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNc1cc(C#N)nc(CC)n1 1186704511 ARTNTZFKHFXDKY-KGLIPLIRSA-N 286.423 3.929 30 20 CHED N#Cc1cnc(NCC2(c3cccc(F)c3)CCC2)c(F)c1 1187550848 RAFCUYJDHQRNRC-UHFFFAOYSA-N 299.324 3.765 30 20 CHED C[C@H]1CC[C@H](c2nnc(-c3ccc(C#N)cc3)o2)C1 1326933316 XANDHUJAWHDFRL-GWCFXTLKSA-N 253.305 3.512 30 20 CHED C[C@H]1CC[C@H](C=NNc2ccc(C(C)(C)C)nn2)C1 1327101280 IBYWWBOIPBREAI-RYUDHWBXSA-N 260.385 3.608 30 20 CHED N#CC1(CN2C[C@H]3CCCC[C@]32c2ccccc2)CC1 1254177654 LRPROPNZBZMBKO-AEFFLSMTSA-N 266.388 3.691 30 20 CHED N#CCOc1ccc(NC/C=C\c2ccccc2)cc1 1339109555 HQTOCQFWHITFKT-DAXSKMNVSA-N 264.328 3.714 30 20 CHED C[C@@H](COc1ccccc1F)N[C@@H](C)CC(C)(C)C#N 1332382930 CRBQBLJRBVTBFI-STQMWFEESA-N 278.371 3.511 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)CC#Cc2ccccc2)C1 1252962161 DZHGTVSJRVVNHG-WBVHZDCISA-N 269.388 3.513 30 20 CHED CC(F)(F)CCC(=O)OCCC(F)(F)C(F)(F)F 1263610613 VTWJFJFSJNYOOP-UHFFFAOYSA-N 284.171 3.553 30 20 CHED CCC1(c2nnc(COc3ccc(C#N)cc3)o2)CCCC1 1345658972 YHBKEUQDYXMJQW-UHFFFAOYSA-N 297.358 3.742 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cc(-c3ccccc3)ns2)C1 1342574091 HLXIQGZYXJJVNE-YPMHNXCESA-N 298.367 3.659 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C[C@@H](C)CCC=C(C)C 1349702902 SPTPYZNLAKMYIE-GJZGRUSLSA-N 287.407 3.852 30 20 CHED CC(C)c1ccc(NC(=O)c2cccc(CC#N)c2)cn1 1439546676 KSPGRTVPHKSJEV-UHFFFAOYSA-N 279.343 3.523 30 20 CHED C=CC1CCN(c2nnc(C3CC=CC3)n2CC2CC2)CC1 1519634914 MGRHSRJUCRETPP-UHFFFAOYSA-N 298.434 3.524 30 20 CHED Cc1cc(Sc2ccc(C#N)c(C)c2)nc(C2CC2)n1 1458442359 LIVBEQBLZVZHPT-UHFFFAOYSA-N 281.384 3.994 30 20 CHED N#Cc1cc2c(nc1OCCC(F)(F)F)CCCCC2 1459231693 QSLMGPIJPUHWDX-UHFFFAOYSA-N 284.281 3.553 30 20 CHED N#C[C@H](C(=O)/C=C/C1CCCCC1)c1cccc(F)n1 1524705935 VNFXGNGHDITESO-LXKVQUBZSA-N 272.323 3.533 30 20 CHED N#Cc1cc(F)c(NCc2ccc(F)c(F)c2)c(F)c1 111143962 OFYGPJAHAGWAAI-UHFFFAOYSA-N 280.224 3.727 30 20 CHED N#Cc1nc(C(=O)O)ccc1Oc1ccc2ccccc2c1 1601134938 SALFLRNGBYLWQL-UHFFFAOYSA-N 290.278 3.597 30 20 CHED C[C@]1(C(=O)Nc2cccc(C#N)c2)C[C@@H]1c1ccccc1 1530020770 JQBVNHONXZUFMA-AEFFLSMTSA-N 276.339 3.691 30 20 CHED CC(CC1CCC1)=NNc1ccc(C)c(C(=O)O)c1 1604131277 ILXSRZRPSNWUPV-UHFFFAOYSA-N 260.337 3.671 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc(C(C)C)nc1 1617263850 IQPAAJFEAVAVEC-UHFFFAOYSA-N 279.343 3.637 30 20 CHED Cc1ccc2oc(CNc3nc(C)ccc3C#N)cc2c1 1472833659 VSGUZUQRASBLLV-UHFFFAOYSA-N 277.327 3.928 30 20 CHED CC(C)CC1(CNc2ccc(Cl)c(C#N)n2)CC1 1472729148 YDMCVKYKJUIORT-UHFFFAOYSA-N 263.772 3.845 30 20 CHED CC1(C)C(CNC(=O)[C@@H](C#N)CCc2ccccc2)C1(C)C 1626161357 ZJUYZEIBDMDQIO-OAHLLOKOSA-N 298.430 3.557 30 20 CHED C=CC[C@@H](C)NCc1ccc(Br)s1 116927128 IDYWBFKOYBWIJC-MRVPVSSYSA-N 260.200 3.565 30 20 CHED N#CC[C@H](C(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1 1628320832 SDSVUKWYWZBWRX-NXHRZFHOSA-N 296.414 3.723 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)Nc2sccc2C#N)C1 1563023850 NYUBKYJZSFRYGM-AAEUAGOBSA-N 291.420 3.956 30 20 CHED C=C[C@@H](C)N[C@H]1CCc2sc(Br)cc21 307639578 FUVXBDUKAAAXFM-APPZFPTMSA-N 272.211 3.662 30 20 CHED CCC1(CNC(=O)c2ccccc2CC#N)CCCCC1 1633548315 CEQNFNFWSRQOSC-UHFFFAOYSA-N 284.403 3.843 30 20 CHED COc1cccc(Sc2nc(C#N)c(Cl)s2)c1 1642040282 LGFWVCDZQFYKFE-UHFFFAOYSA-N 282.777 3.828 30 20 CHED CC(C)CCN(CCC#N)CCCN(C)c1ccccc1 1657467076 SIQKSDSUBCZEBF-UHFFFAOYSA-N 287.451 3.775 30 20 CHED CCc1ccc(C(=O)Nc2cc(C#N)cc(C)n2)cc1CC 1583800007 XKSBTXNUZWBKCO-UHFFFAOYSA-N 293.370 3.639 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 1583671316 NKEJPSVMHUXYSV-UKRRQHHQSA-N 288.366 3.642 30 20 CHED CCCC[C@H](C)[C@@H](C)NCc1ccc(OC)c(C#N)c1 1660584364 ZEOAQPPHCWEZIK-UONOGXRCSA-N 274.408 3.871 30 20 CHED CCC[C@@H](C)CC(=O)Nc1cc(C#N)c(F)cc1F 1595653558 XXUJJGNTXHPEBM-SECBINFHSA-N 266.291 3.601 30 20 CHED CC1(C)CCC1=NNc1ccc(C(=O)O)c(Cl)c1 1593883788 UGPUIGRMGNMKNV-UHFFFAOYSA-N 266.728 3.626 30 20 CHED CCC(CC)CN(CCC#N)Cc1c(Cl)ncn1CC 1663722112 VKRSLBQCQZIATC-UHFFFAOYSA-N 296.846 3.708 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cncc(C(=O)O)c2)cc1 1776112977 RQJZBRMFAXCNBW-TWGQIWQCSA-N 295.338 3.628 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@@H]1CCCC[C@H]1C 1776013141 KNRVMAVXERIDHK-IAQYHMDHSA-N 274.364 3.999 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(F)c(C(=O)O)c2)oc1C 1777417920 BLMOUVUNVWZFBK-XQRVVYSFSA-N 288.274 3.630 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)[C@H]1CC1(C)C 1776013080 GIJQXQPCIWXUDH-GFCCVEGCSA-N 260.337 3.609 30 20 CHED C=CCN(Cc1ccc(C)cc1)c1ccc(C(=O)O)c(C)n1 1776179989 WNIKDQGEPLMCMM-UHFFFAOYSA-N 296.370 3.589 30 20 CHED C=CCNC(=S)NC1CCC(C(C)(C)CC)CC1 13775469 BCFINXJYCIVWDL-UHFFFAOYSA-N 268.470 3.632 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(CC#N)cc1 15818154 JMGMINNTOIQUPF-UHFFFAOYSA-N 289.338 3.795 30 20 CHED CC(C)(C)Oc1ccncc1NCc1cccc(C#N)c1 158451475 JVHTXTZFKRBEJS-UHFFFAOYSA-N 281.359 3.743 30 20 CHED C=C(Br)CN[C@@H](c1ccc(OC)cc1)C1CC1 163688797 WWJWIEPKEBFDKU-CQSZACIVSA-N 296.208 3.645 30 20 CHED CN(CCc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 151896781 MPNKVTRIFNEUAK-UHFFFAOYSA-N 286.325 3.511 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccc(CC)cc1 151975124 WVETUEPCAPIEJK-LBPRGKRZSA-N 263.406 3.885 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cc(C)cc(C)c2)CC1 152934547 WVWATRHSLNOPRF-KRWDZBQOSA-N 286.463 3.995 30 20 CHED CC[C@H](CC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(C)cc1 157901368 KFFRRUOLBCVXTM-QAPCUYQASA-N 286.419 3.933 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(Br)cc1F 126827632 CNVLUIZUQAUTMB-IUCAKERBSA-N 272.161 3.813 30 20 CHED CC(C)(C)[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C1 128441592 URBJKADLWOSMCT-LLVKDONJSA-N 264.319 3.709 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)cc1 35163407 WDBDMVNXCTVCNB-IAGOWNOFSA-N 254.377 3.570 30 20 CHED C=CCCN1CCCCC[C@H]1C[C@@H](O)c1ccco1 268374484 LHMCUSXTPJNCRX-LSDHHAIUSA-N 263.381 3.524 30 20 CHED N#Cc1ccc(F)c(CN2CCC[C@H]2C2CCCC2)c1 44352396 NPNJTDZTRWJFNI-KRWDZBQOSA-N 272.367 3.852 30 20 CHED CC[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 343819847 OLINJIMKPRSBCI-SFHVURJKSA-N 264.372 3.994 30 20 CHED C=C(Cl)CN[C@@H]1CCc2sc(Br)cc21 306407844 XZJGBASCBQRKBG-MRVPVSSYSA-N 292.629 3.840 30 20 CHED Cc1ccnc(N2CC[C@@H](CC(C)(C)C)C2)c1C#N 307780103 UCLZGPUGBBUTMX-ZDUSSCGKSA-N 257.381 3.524 30 20 CHED C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1CCCCC#N 404430219 OGSPCNHZCGBZFU-KZNAEPCWSA-N 299.462 3.664 30 20 CHED Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1Br 309849479 IKEFXLBEHGWTKR-MNOVXSKESA-N 279.181 3.862 30 20 CHED CCCCc1ccc(C(=O)N(CCC#N)C(C)C)cc1 608814013 RANQPBSOTFRBKJ-UHFFFAOYSA-N 272.392 3.793 30 20 CHED CCC[C@H](NCc1ccc(OCC#N)cc1)C1CCC1 324941759 QUDJJGWQSRTRFU-KRWDZBQOSA-N 272.392 3.647 30 20 CHED Cc1csc(COc2cc(C)c(C#N)c(C)c2C)n1 336810918 KAQCJWWAYOVOCT-UHFFFAOYSA-N 272.373 3.827 30 20 CHED Cc1ccnc(N(Cc2ccccc2)CC(F)F)c1C#N 343515848 USKZDSBECICCRV-UHFFFAOYSA-N 287.313 3.533 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)c(F)c(C)c1 488879890 SUPUZOOXQWWHJD-CQSZACIVSA-N 261.340 3.623 30 20 CHED C=CCCC[C@H](C)NCc1ccc(C(C)(C)O)cc1 398152260 DXRAICOHQLZLAX-AWEZNQCLSA-N 261.409 3.748 30 20 CHED CC1=C(Br)CN(c2ccc(C#N)cc2F)CC1 797439538 PZLVQVUXTGPEAM-UHFFFAOYSA-N 295.155 3.576 30 20 CHED CC(C)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 3564387 WPUOPAYVSRATED-UHFFFAOYSA-N 294.354 3.699 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(F)c(C#N)c1 102955002 ZOVOBAVJPPQAGG-ABAIWWIYSA-N 289.354 3.740 30 20 CHED C=CCCC(=O)N[C@H](CC)c1ccccc1OCC 102259451 TVMUWKUWHOKNPJ-CQSZACIVSA-N 261.365 3.619 30 20 CHED C=CCOc1cccc(NC(=O)N(C)Cc2ccco2)c1 56772196 MDTIQIPSTNAZAH-UHFFFAOYSA-N 286.331 3.508 30 20 CHED C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(C#N)cc1 111410821 XXJIWNSRPJPOKS-UGSOOPFHSA-N 262.356 3.581 30 20 CHED CC[C@H](CC#N)NC1CC(c2ccccc2Cl)C1 54183468 PCLIUQIFLUCCDY-OTTFEQOBSA-N 262.784 3.868 30 20 CHED N#CC1(CNCc2cc(Cl)cc(Cl)c2)CCC1 418143417 PJPISQRKESVDDL-UHFFFAOYSA-N 269.175 3.777 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC(C)(C)C 104544883 FEMVXGJPSGTGFG-UHFFFAOYSA-N 252.402 3.601 30 20 CHED C=C(C)CSCC(=O)N[C@H](C)c1ccccc1Cl 177867591 FRKGLFUAJPHLBX-LLVKDONJSA-N 283.824 3.827 30 20 CHED C=C(C)CS[C@@H](C)C(=O)NCc1ccc(Cl)cc1 177866027 JIELVOGTOJFYIB-NSHDSACASA-N 283.824 3.654 30 20 CHED N#Cc1csc(CNC2(c3nccs3)CCCC2)c1 177702715 PLLFZDAGULLUNW-UHFFFAOYSA-N 289.429 3.635 30 20 CHED Cc1cc(CN(CCC#N)Cc2ccccn2)c(C)s1 178387489 ATBDNUNGUAUQNF-UHFFFAOYSA-N 285.416 3.676 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1sc(C)c(C)c1C#N 25769151 YHMXIGRJRIHEIL-UHFFFAOYSA-N 288.347 3.936 30 20 CHED C=C(Cl)CN[C@H](C)c1cc(Br)ccc1O 134932350 GRDSOOCQZJETLL-MRVPVSSYSA-N 290.588 3.558 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(c2c(F)cc(C#N)cc2F)C1 302161818 YQMSNAOZSXWFNM-BDJLRTHQSA-N 299.324 3.819 30 20 CHED C#CCCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 172939787 CMVSTHDNPQKDIZ-RYUDHWBXSA-N 296.197 3.627 30 20 CHED CC[C@@H](Nc1cccc(C#N)n1)c1cc(F)ccc1F 301326102 AYVNFKXWOSLEMP-CQSZACIVSA-N 273.286 3.795 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)c1cc(C)ccc1C 116971024 GTKRBFROWZJTGD-CABCVRRESA-N 274.408 3.970 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2SCCc3ccccc32)c1 173050488 QKAOGLUVGZSSEX-INIZCTEOSA-N 294.379 3.527 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(Cl)c2cccnc12 116852165 QGGFOYPTNUJQSV-JTQLQIEISA-N 274.751 3.583 30 20 CHED Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](C)CC#N 113687908 SNLBUOMQTQABAV-SNVBAGLBSA-N 286.356 3.578 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C1CC1)[C@@H](C)C1CC1 178543909 XCVVXCFENZVSNY-LBPRGKRZSA-N 283.375 3.662 30 20 CHED Cc1csc([C@@H](NCc2ccc(C#N)s2)C2CC2)n1 176976269 FFVJQNYYPARJPS-ZDUSSCGKSA-N 289.429 3.626 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@H](CC)C(C)C 303437768 BIMYQWQZTTYMLZ-HNNXBMFYSA-N 289.419 3.940 30 20 CHED CC(C)OC1CCC(Nc2c(C#N)cccc2C#N)CC1 302886457 NDHFBJBVSPQKEO-UHFFFAOYSA-N 283.375 3.578 30 20 CHED CN(C(=O)CCc1ccccc1Cl)c1cccc(C#N)c1 63325222 RNSPNPXRPRJYQT-UHFFFAOYSA-N 298.773 3.807 30 20 CHED C=CCCCNc1cc(F)ccc1OC[C@@H]1CCCO1 303894182 SCHXQIVEVXITDS-AWEZNQCLSA-N 279.355 3.762 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](CC)c1ccncc1 181391177 QIYMAXSBYPUFLK-GOEBONIOSA-N 289.423 3.919 30 20 CHED CC(C)CC[C@@H]1CCCCN1c1ccc(C#N)cn1 301680687 UYCFGIVLRNMVHG-HNNXBMFYSA-N 257.381 3.748 30 20 CHED C=CCC[C@H](NCCCNc1ccccc1)C1CC1 121249317 KEJHDCNGHLVXTQ-KRWDZBQOSA-N 258.409 3.823 30 20 CHED COc1ccccc1-c1ccc(CNC[C@@H](C)C#N)cc1 183839542 VRYXZYVBOCXCFS-AWEZNQCLSA-N 280.371 3.611 30 20 CHED CC(C)(C)OC(=O)CCCCCN[C@H]1CCC[C@@H](C#N)C1 185895051 JTNOIEXSHGJTAQ-CABCVRRESA-N 294.439 3.560 30 20 CHED N#Cc1ccc(CN(C2CCC2)C2CCC2)cc1F 429140753 JTQYLGFPXRULFK-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N[C@H](C#N)C(C)(C)C)C1(C)C 410876197 GZWZOQOIIAAXRZ-OZVIIMIRSA-N 264.413 3.503 30 20 CHED Cc1csc(C[S@@](=O)CCC2(C#N)CCCCC2)n1 417153278 VFYDJVIDUCZOPD-IBGZPJMESA-N 296.461 3.564 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1ncccc1F 419011778 BTGXEYZTRMZLSF-OAHLLOKOSA-N 267.307 3.582 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1ccccc1O[C@H](C)C#N 182098109 YAIZARCOFLSGRF-GFCCVEGCSA-N 298.317 3.677 30 20 CHED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 181806424 ZUWRDMRULVVRTD-SUMWQHHRSA-N 265.360 3.755 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CCC(C)(C)C 188919830 ADMYFFAYHKYSJL-CJNGLKHVSA-N 269.429 3.546 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H](c2ccccc2F)C1 501177526 SDOJZUPBNIRLGX-GFCCVEGCSA-N 284.309 3.830 30 20 CHED CCCCOc1cccc(CNc2ncc(C#N)cc2F)c1 413064024 SHNAIMGDEQDPNJ-UHFFFAOYSA-N 299.349 3.883 30 20 CHED C[C@H]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C#N 42804410 NDWPVLVENGBZSV-NWDGAFQWSA-N 273.336 3.705 30 20 CHED Cc1cc(NC[C@@H]2CCCCC(F)(F)C2)cc(C#N)n1 488429297 DUVSPLYBWAYEML-GFCCVEGCSA-N 279.334 3.889 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2ccc(CC#N)cc2)cc1 125320209 YRIVSDFVLSHPLB-UHFFFAOYSA-N 293.370 3.725 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccccc1C(C)(F)F 411037252 RCNIWIWGYPXYHI-ZDUSSCGKSA-N 266.291 3.677 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)CCCOC 414308280 SPFIREYCYYVFQG-RDJZCZTQSA-N 261.409 3.579 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(F)c(Cl)c1 507508292 IYOWEFVVWTWOCZ-NSHDSACASA-N 284.762 3.633 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2ccc(CC#N)cc2)CC1 189707272 GGZRIGMDZIHMTA-ZFWWWQNUSA-N 285.391 3.843 30 20 CHED COc1cc(CNCC[C@@H](C)c2ccccc2)ccc1C#N 318526056 AZUUSWWXDVMAKO-OAHLLOKOSA-N 294.398 3.850 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(CC#N)c1 412832617 XIUYRKUZRMSWQI-HZPDHXFCSA-N 284.403 3.697 30 20 CHED N#CCC[C@H](NCc1ccsc1)c1ccccc1 130425126 NIFSXIKKZVBURQ-HNNXBMFYSA-N 256.374 3.883 30 20 CHED C=CCN1CCC(N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 189169152 CVNXEMQTTUQYOY-UYAOXDASSA-N 298.474 3.638 30 20 CHED C=CCC[C@@H](C)N[C@H]1CC(C)(C)Oc2ccc(N)cc21 415034022 KPTNIANVVYENEJ-DOMZBBRYSA-N 274.408 3.815 30 20 CHED C=CCC[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccccc1 133876782 VARKQKZGGXBGHL-DLBZAZTESA-N 287.403 3.769 30 20 CHED CC(=O)c1ccc(CN(CCC#N)CC(C)(C)C)cc1 450430361 RFYRVSHXHWZAGB-UHFFFAOYSA-N 272.392 3.651 30 20 CHED C=CCCCN(C)C(=O)c1cc2ccc(OCC)cc2[nH]1 76650295 YYZQNIJCSOGBFL-UHFFFAOYSA-N 286.375 3.605 30 20 CHED Cc1cc(/C(O)=N/[C@@H]2c3ccccc3CCC[C@H]2C)cnn1 329855951 XSVQJXJWMDROIB-PXAZEXFGSA-N 295.386 3.803 30 20 CHED C=CCn1c(-c2sccc2C)nnc1N(C)CCCC 508864045 LACOIYTZZFSRDS-UHFFFAOYSA-N 290.436 3.737 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 131063829 UMDIFVZAUDPMAJ-NEPJUHHUSA-N 295.308 3.800 30 20 CHED Cc1nnc(N=C(O)C2(C)CCCCCC2)n1C1CC1 329098806 YWZNLUNZILDUJU-UHFFFAOYSA-N 276.384 3.870 30 20 CHED C=C[C@@H](CC(=O)N(C)c1nc(C)cs1)c1ccccc1 132918447 JPUJRJWNLFKIBO-ZDUSSCGKSA-N 286.400 3.774 30 20 CHED N#CCC1(CNc2ccccc2Br)CC1 83853617 VEULYKRMNMYTSB-UHFFFAOYSA-N 265.154 3.555 30 20 CHED N#Cc1cccc(C[S@@](=O)c2ccc3c(c2)CCCC3)c1 422098743 NESMYZGCNNNFTG-OAQYLSRUSA-N 295.407 3.745 30 20 CHED C=CCn1cc(CN[C@@H](C)c2ccc(CC(C)C)cc2)nn1 424296528 OYCMWCDDHCQVRF-HNNXBMFYSA-N 298.434 3.513 30 20 CHED C=C(CNC(=O)N1CCCC[C@@H](C)C1)c1ccccc1 512659031 CBCSDSUDDNVVGO-CQSZACIVSA-N 272.392 3.531 30 20 CHED Cc1cc(O)c2nc(/C=C/c3cc(C#N)n(C)c3)ccc2c1 191377140 LBNRXHNQADFOIO-HWKANZROSA-N 289.338 3.629 30 20 CHED CCC[C@H](C#N)NC(=O)c1cccc(Cc2ccccc2)c1 515001196 NXHKNIYUZXKSKB-GOSISDBHSA-N 292.382 3.699 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCC[C@H]1C 424728806 AWFLSJVXVCQXGS-BXUZGUMPSA-N 256.349 3.632 30 20 CHED CC[C@H](C)CSc1ccc([N+](=O)[O-])cc1C#N 229057197 CCSDWZQMKDEEIW-VIFPVBQESA-N 250.323 3.605 30 20 CHED C=CCN(CCC#N)C[C@@H](C)c1cccc(Cl)c1 428846870 SEDOQIIYGITIAB-CYBMUJFWSA-N 262.784 3.845 30 20 CHED COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 194254995 MPYOABQGSQPGLO-MAZHCROVSA-N 292.810 3.699 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)C1 331032439 HVQDZTVAYJWEBG-DJIMGWMZSA-N 284.403 3.769 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCCC[C@H]1C 337912909 ZMBHLQNIMCENIK-WBMJQRKESA-N 270.376 3.517 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C2CC(C)(C)C2)cc1 514796355 OUWYCETYFPDVRS-INIZCTEOSA-N 284.403 3.708 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1csc(-c2ccncc2)n1 338872464 JDUZJYOYIVRJQR-OAHLLOKOSA-N 287.388 3.746 30 20 CHED CC1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 193057902 STCBFLSEADFEIG-UHFFFAOYSA-N 285.391 3.752 30 20 CHED COc1cccc(C)c1NCc1cccc(F)c1C#N 427404652 KRPPBZJLLHSUPW-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=C(CNC(=O)N(CC(C)C)C(C)C)c1ccccc1 512666589 LGQCUKXEVOWQBZ-UHFFFAOYSA-N 274.408 3.776 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccccc2OC)no1 424226065 WNBGKVCYYOLNQB-UHFFFAOYSA-N 258.321 3.599 30 20 CHED CCc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)o1 425367243 RZDXLQZSFRWEIE-ZDUSSCGKSA-N 268.360 3.907 30 20 CHED Cc1c(C(=O)N(C)[C@@H](C)CC#N)sc2cc(F)ccc12 334329282 NOSPDWNLVGJGLV-VIFPVBQESA-N 290.363 3.723 30 20 CHED CCc1nc(/C(O)=N/[C@@H]2CCC[C@@H](C(F)(F)F)C2)co1 330861073 UYYXTPDPEJMTJG-RKDXNWHRSA-N 290.285 3.663 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)c(C(C)C)n1 336247809 AJFFPNDDKDHSHY-UHFFFAOYSA-N 293.370 3.946 30 20 CHED C=CCC1(C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)CCC1 336364074 KHODLEZKCBNZFU-UHFFFAOYSA-N 297.398 3.512 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@@H](C(C)(C)C)C1 432562745 NQXYFOQUFXBLCJ-CYBMUJFWSA-N 266.429 3.666 30 20 CHED C=CCC[C@H](NC[C@@H](C)Oc1cccc(OC)c1)C1CC1 438984333 DXUSKRGBPVDFIW-KDOFPFPSSA-N 289.419 3.797 30 20 CHED C=CCC(C)(C)C(=O)N1CC=C(c2ccc(O)cc2)CC1 431696424 YZVITCXJYDARSB-UHFFFAOYSA-N 285.387 3.610 30 20 CHED COC(=O)[C@H](Sc1ccc(C#N)cc1)c1ccccc1C 438902486 SNQLHAVPPKVFSF-MRXNPFEDSA-N 297.379 3.873 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(F)c(C)c2)no1 528073951 HVQSHRWXWVUHET-UHFFFAOYSA-N 273.311 3.766 30 20 CHED CSc1cccc(N(C)C(=O)c2ccc(CC#N)cc2)c1 340133289 ADTNWPWYRLKEEY-UHFFFAOYSA-N 296.395 3.751 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(C)noc1C(C)C 343262235 UOSOGUPVMINZNJ-LLVKDONJSA-N 264.369 3.581 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CCC1CCC1 345745853 WFYLLEVORGPXSV-UHFFFAOYSA-N 285.391 3.899 30 20 CHED CC1(C)CCCN(C(=O)[C@@H]2CCCc3ccccc32)[C@H]1C#N 434028868 YPDFSIQSRQAASF-SJORKVTESA-N 296.414 3.647 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 344201424 QTLKXLPCKBRJKF-UHFFFAOYSA-N 297.402 3.992 30 20 CHED CCC(C#N)(CC)c1nc(-c2nccc3ccccc23)no1 528077319 GRNQNUOFZLSTFX-UHFFFAOYSA-N 292.342 3.866 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 523963104 XLZFLNKSFNZCCJ-LSDHHAIUSA-N 289.419 3.967 30 20 CHED N#Cc1ccc(SCCCOCCc2ccccc2)nc1 341383061 QNUVODQJINNNAG-UHFFFAOYSA-N 298.411 3.695 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(C#Cc2ccccc2)cc1 522643379 ULUBMKDBVAJOLE-INIZCTEOSA-N 289.378 3.781 30 20 CHED CC(C)(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603765243 RPKQVZSYGBOLSE-UHFFFAOYSA-N 295.342 3.730 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCc3ccccc32)c1 341374708 MNPBOJNTGLFAAH-CQSZACIVSA-N 293.326 3.608 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H](Nc2ccccc2)C1 602478577 ZQBPRBLZKHVLMH-RDJZCZTQSA-N 271.408 3.503 30 20 CHED COCc1cc(C#N)ccc1NC1CCC(F)(F)CC1 603334203 QTSKQHBEAKCHEX-UHFFFAOYSA-N 280.318 3.694 30 20 CHED N#CC1(CN2CCCC[C@@H]2c2ccc(F)cc2F)CC1 343311955 QIFKLVAMVKBPJG-OAHLLOKOSA-N 276.330 3.796 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cnn(-c2ccccc2)c1CC 342038419 IKNGGGRPAPOCIF-CYBMUJFWSA-N 298.390 3.521 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(OC)nc1)c1ccccc1 435290424 QXIFVIVVYHDFLG-INIZCTEOSA-N 296.370 3.528 30 20 CHED CC[C@H](NC[C@H](C)CCC#N)c1cc(F)ccc1F 602550354 AXZVIEDIMHOFJA-ABAIWWIYSA-N 266.335 3.945 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(CC#N)cc1 542278650 DKVBRNFYTROENT-OLMNPRSZSA-N 268.404 3.906 30 20 CHED C[C@H]1CCCc2ccccc2[C@@H]1NCc1cccc(C#N)n1 602619520 WQFQACKXZYIKCL-IFXJQAMLSA-N 291.398 3.757 30 20 CHED Cn1nccc1/C=C\C(=O)c1cc2cc(Cl)ccc2o1 255285894 TVDONCCEMYJVSH-ARJAWSKDSA-N 286.718 3.716 30 20 CHED Cc1cc(C(=O)N2CCCC2)ccc1NC[C@@H](C)CCC#N 602686743 CVVKHMMZBJONRW-AWEZNQCLSA-N 299.418 3.583 30 20 CHED Cc1cccc(N[C@@H](C#N)Cc2ccccc2)c1C 604553162 VGZIDYGRUHZBQD-MRXNPFEDSA-N 250.345 3.850 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)[C@H](c1ccccc1)N(C)C 439126445 ATHVFMFRYNGISV-SCLBCKFNSA-N 297.377 3.801 30 20 CHED CC(C)(C)Oc1cccc(CNc2ccc(C#N)cc2F)n1 348104344 BHCQNANGILAHJR-UHFFFAOYSA-N 299.349 3.882 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 538410294 LYUWUZLEMISQAC-WDEREUQCSA-N 286.297 3.610 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCOc2ccc(OC)cc21 344136068 QGDUGIXOKOVWQK-XEZPLFJOSA-N 275.392 3.709 30 20 CHED CCCCOCCN(Cc1ccc(C#N)cc1)CC(C)C 520173985 MDBHCHSCDURVSL-UHFFFAOYSA-N 288.435 3.833 30 20 CHED CCOc1cccc(C=Nc2cc(C)ccc2F)c1O 254746692 ZCMRJLAYVMQXLM-UHFFFAOYSA-N 273.307 3.989 30 20 CHED C=CCCCC(=O)Nc1ccc(/C=C\C(=O)OCC)cc1 255741130 MVEKDEIMEMWDOH-RAXLEYEMSA-N 287.359 3.558 30 20 CHED C=CCC1(CNCc2sc(C)nc2C)CCCC1 449606408 QNWNNFKGUDTFOH-UHFFFAOYSA-N 264.438 3.986 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2c1OCC[C@@H]2OC 344924300 IJOIBZLPETWGDL-YOEHRIQHSA-N 289.375 3.697 30 20 CHED COC(=O)c1cc(C)ccc1OCc1ccc(C#N)c(C)c1 447319515 QKFIRLIQQPLPFQ-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CCN(Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C 444658206 MWUMERWCFMTCJP-WMLDXEAASA-N 256.393 3.959 30 20 CHED CCCc1ccc(C(=O)N(CC#N)c2ccccc2)s1 602253220 ZFLZWNCSFZKKRM-UHFFFAOYSA-N 284.384 3.871 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2Cc3ccccc32)c1 358298881 FHDNATQEDWOBHR-QGZVFWFLSA-N 279.339 3.530 30 20 CHED CCN(CC1(CC#N)CC1)[C@@H](C)c1ccc(F)cc1 602762324 GHVOBKYUMIEBQE-ZDUSSCGKSA-N 260.356 3.902 30 20 CHED Cc1ccc(-c2noc(-c3ccc(CC#N)cc3)n2)cc1F 536181866 ABXUEUBMMBDTRG-UHFFFAOYSA-N 293.301 3.917 30 20 CHED C[C@@H](CCC#N)CN1CCCSc2ccccc21 602668638 DPXPZMKBRRAKFB-ZDUSSCGKSA-N 260.406 3.929 30 20 CHED C=C(CC)CSCC(=O)N(Cc1ccc(C)o1)C1CC1 358632482 FLRWRRLUJKLULC-UHFFFAOYSA-N 293.432 3.778 30 20 CHED N#CCCN(Cc1ccccc1F)C1CCCCC1 355352952 IFVRAGZTACDKOG-UHFFFAOYSA-N 260.356 3.874 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1cnn(C)c1C 268921873 WUEXTMXPIMFEFE-UHFFFAOYSA-N 295.839 3.632 30 20 CHED O=C(NCCCF)Nc1ccccc1C#Cc1ccccc1 532274686 CLPZJJFVGOLOFC-UHFFFAOYSA-N 296.345 3.568 30 20 CHED C[C@H](NC(=O)CCCC#N)c1cccc2ccccc12 359888046 DKTKOEKUYSCQAA-ZDUSSCGKSA-N 266.344 3.711 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 617615570 RJHBOSPHWCUDRF-IAGOWNOFSA-N 265.356 3.636 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCOc3c(C)cccc32)CC1 356989589 AJJYIESEAZXARQ-OAHLLOKOSA-N 285.387 3.681 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1CC)OCC 535969809 WZYJLYSFWIHURK-XHSDSOJGSA-N 281.440 3.785 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H](C)CC(C)C)C1 617783777 GVNBFGMWOZVDGZ-CABCVRRESA-N 251.414 3.873 30 20 CHED CC(C)COc1ccccc1N[C@H]1CC[C@@H](C#N)C1 442869456 DIFRRIRLQDUMCW-KGLIPLIRSA-N 258.365 3.826 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CC[C@@H](C)C[C@@H]2CC)CC1 538760487 PGAQMMCKPMDYCX-SOLBZPMBSA-N 278.484 3.831 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCC1=CCCCC1 538502211 CZTFETUKKDDORQ-CQSZACIVSA-N 250.386 3.531 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1c(C)ccnc1C 351922412 GGZYCTPRPGROEZ-GFCCVEGCSA-N 261.369 3.565 30 20 CHED CCC(CC)N(C(=O)Nc1ccc(F)c(C#N)c1)C1CC1 531184111 BFCGVSSVUMCGTK-UHFFFAOYSA-N 289.354 3.882 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)[C@]3(C#N)C[C@H]3C)C2)cc1 451709666 KRWOFFWCXKXUEO-BJZITVGISA-N 296.414 3.505 30 20 CHED CCC[C@@H](NC(=O)c1ncc(C#N)cc1Cl)C(C)(C)C 452663548 QLDJROHYYGRXJX-GFCCVEGCSA-N 293.798 3.551 30 20 CHED C=C(C)[C@@H](CC(=O)NCCCCC(C)(C)C)OCC 535910667 NYJYZXNUHHBHBD-CQSZACIVSA-N 269.429 3.690 30 20 CHED CC(C)COc1ccccc1CNCC(C)(C)CC#N 459729664 KQAGFQGGTHISKD-UHFFFAOYSA-N 274.408 3.751 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2ccc(C(F)(F)F)cc2)C1 619671930 VQEXMTRLCSXVNQ-GXTWGEPZSA-N 282.309 3.530 30 20 CHED C[C@H](CC1CCOCC1)NCc1ccc(C#N)c(Cl)c1 619755568 LSUFMOCACOTENG-GFCCVEGCSA-N 292.810 3.506 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(Cl)c(F)c1 276358913 VNJDPAGKJMZTBB-UHFFFAOYSA-N 256.708 3.519 30 20 CHED CCc1cnc(CN[C@@H](C)c2ccc(C#N)c(F)c2)s1 271943834 MUNCXYHSRUUMCK-JTQLQIEISA-N 289.379 3.567 30 20 CHED Cc1ccc2c(c1)CN(c1c(C#N)cnc3ccccc13)C2 360275105 PLQYCCSGRSRMSD-UHFFFAOYSA-N 285.350 3.935 30 20 CHED C[C@@H]1C[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)CCO1 360650182 XPXHSDBLRJUNHX-ALKREAHSSA-N 298.430 3.730 30 20 CHED N#Cc1ccc(C(=O)NC2CCCCCC2)cc1Cl 547951299 PRUBVPZHNKFGPU-UHFFFAOYSA-N 276.767 3.664 30 20 CHED Cc1ccc2c(C)cc(NCCCCC#N)nc2c1 274112757 YWJXZCCSVSVKFD-UHFFFAOYSA-N 253.349 3.957 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](CC)OC1CCCC1 620858723 PQWZRRBRWVHCKV-AWEZNQCLSA-N 267.413 3.585 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1nc2c(s1)CCC2 459628119 CORNVZJOLUSNGI-WDEREUQCSA-N 250.411 3.637 30 20 CHED C=C(C)CCNC(=O)[C@H](C)Cc1ccccc1Cl 452717771 MZCNJAMVNIYQAX-GFCCVEGCSA-N 265.784 3.601 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 455940677 KBCDHGBAESNEHB-DVVUODLYSA-N 284.186 3.788 30 20 CHED CC(C)C[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 279567292 YGYQQSIDZCGMQX-HNNXBMFYSA-N 285.435 3.551 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(F)cc2C)no1)OCC 274012531 RLJNLECPNOVTPH-CQSZACIVSA-N 290.338 3.708 30 20 CHED Cc1ccc(-c2ncc(CN(CC#N)C3CC3)s2)cc1 271123002 FUBGZRSCWDIHLL-UHFFFAOYSA-N 283.400 3.607 30 20 CHED C=CC[C@@H]1CCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 629366490 OKGGCJKGXDIBFG-GFCCVEGCSA-N 285.343 3.529 30 20 CHED CC(C)(C)c1ncsc1C(=O)Nc1cccc(CC#N)c1 456755150 RJEGEBKBNFDEQX-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C=CCC[C@H](NC(=O)N1CCC=C(F)C1)c1ccccc1 274169343 WHJXRDFBXZRPMF-INIZCTEOSA-N 288.366 3.963 30 20 CHED Cc1cccc([C@H]2CCN(Cc3ccccc3C#N)C2)c1 543247168 UUKPWHMBTVALHH-IBGZPJMESA-N 276.383 3.856 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(c2ccccc2)C1 622210478 SPZFQWORFRBMIU-UHFFFAOYSA-N 269.388 3.555 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)c2c(c1)OCO2 540535236 VZORNGJJYOUCFH-SNVBAGLBSA-N 295.766 3.543 30 20 CHED C=CCC[C@@H](NC1CCN(CC2CC2)CC1)c1ccco1 286379646 ZZDPLSLYUASRIA-QGZVFWFLSA-N 288.435 3.751 30 20 CHED C=CC[C@H](CC)N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O 286518228 XXZINHCRORYFPU-JYJNAYRXSA-N 298.386 3.509 30 20 CHED CCC[C@H](CC)Sc1nccc(C#N)c1[N+](=O)[O-] 280206755 JWTMVQHJNDYPDU-JTQLQIEISA-N 265.338 3.532 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc(Cl)c(F)c1 626850798 SGXMIGLOWVXCBR-LBPRGKRZSA-N 283.774 3.883 30 20 CHED CC(C)(C#N)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 288957771 KWTBZQOBHZITFD-UHFFFAOYSA-N 295.264 3.848 30 20 CHED C=CCC[C@H](CCC)N[C@H](CO)Cc1ccccc1C 467382087 NPYVEDCMWZSACK-ROUUACIJSA-N 275.436 3.623 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(COCC)cc1 468029071 XXVRULDMKCZPAG-INIZCTEOSA-N 261.365 3.764 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C#N)s2)C1 553675348 XINQILGJLOOHIS-WFASDCNBSA-N 296.395 3.843 30 20 CHED C=CCC[C@H](CCC)N[C@H](c1nccn1C)C1CC1 552087576 LDAUWMMBTVCWRL-GJZGRUSLSA-N 261.413 3.596 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(Cl)cc2C)no1 632213414 HBIXJKVMNXHRAI-OLZOCXBDSA-N 290.750 3.757 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[C@H](F)C2)c1 554431663 OPOPILPAEFNIRC-GXTWGEPZSA-N 292.354 3.654 30 20 CHED CC(C)C[C@@H](NCCc1cccc(C#N)c1)c1ccccn1 467461408 XXGYADAZFOHCKA-LJQANCHMSA-N 293.414 3.873 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H](c2ccccc2F)C1 281388713 OXWUVJVJNSTOSY-UONOGXRCSA-N 290.382 3.679 30 20 CHED C=CCCN(C)[C@H](C(=O)Nc1ccccc1)c1ccccc1 467289478 NKEIYHDULGKCSE-SFHVURJKSA-N 294.398 3.874 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(C1CC1)C1(C#N)CCC1 556453470 YZRCLRZROFRKJX-KBPBESRZSA-N 274.408 3.640 30 20 CHED Cc1cc(C)c(CC(=O)N[C@](C)(C#N)C(C)(C)C)c(C)c1 464164968 SYOKPPJYYWCSDJ-GOSISDBHSA-N 286.419 3.599 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 467868305 RSYCOAILCURPRK-BMIGLBTASA-N 278.421 3.809 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CCCCC[C@@H]1CC(C)C 556300457 YDWHVKLDPNLZBA-MRXNPFEDSA-N 299.418 3.693 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c([C@H](C)O)c2)CCC1 286436514 SGGBNASABYVRNY-NSHDSACASA-N 277.339 3.564 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)CCC)c1ccc(Cl)cc1F 804418554 PVWLUIHVQZZNFP-HZMBPMFUSA-N 281.758 3.706 30 20 CHED C=CCCCCCCNC(=O)NC1CCC(O)(CC)CC1 805252247 CHNYYGCMRTUAIK-UHFFFAOYSA-N 296.455 3.506 30 20 CHED C#C[C@@H](CC)N[C@H](C)Cc1ccc(F)cc1Br 809686720 JAQWNVHNIQEKSD-MFKMUULPSA-N 298.199 3.521 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@H](C)CC1CCCC1 804837001 QFHUFBMGAMKKOH-MRXNPFEDSA-N 283.415 3.865 30 20 CHED C(=NN(Cc1ccccc1)c1ccccc1)c1cnccn1 807943855 RCNNTKVJOWXZNI-UHFFFAOYSA-N 288.354 3.517 30 20 CHED CC(C)(C#N)Cc1nc(-c2ccc(Cl)cc2F)no1 293320174 KXDLURPNDJRMKD-UHFFFAOYSA-N 279.702 3.621 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 296144843 JFJPUSPEZLXHDY-CABCVRRESA-N 283.375 3.601 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@@H](c2ccccc2)C1 299315122 IJVWMGACTLQNFX-LLVKDONJSA-N 289.791 3.662 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)C[C@H](C(=O)O)c2ccccc21 806562832 POSYDIPDWBLNQZ-CKDIWJPDSA-N 296.297 3.664 30 20 CHED C[C@H](OC(=O)[C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 800276478 AYMPAYQUUNZJRR-FZMZJTMJSA-N 293.313 3.988 30 20 CHED C=C(C)[C@H](NC[C@@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1 567989144 ZHCLOZCTXNBAIN-XKQJLSEDSA-N 295.373 3.723 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(F)cc(Cl)c2)no1 806556141 NUDQGDCTWDFLGC-IHWYPQMZSA-N 265.671 3.672 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H](F)C1)c1ccc(C#N)cc1 567047982 DOXLEHLZBIJHLA-XHSDSOJGSA-N 260.356 3.880 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 297844870 NICCPILKPBKYKT-UHFFFAOYSA-N 295.766 3.667 30 20 CHED N#CC1(CSCc2cc3ccccc3nc2O)CCC1 565136969 HNMNZUCICFLNTJ-UHFFFAOYSA-N 284.384 3.867 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H](C3CC3)C2)cc1 290926175 OMNXQSRIXNUOHM-MRXNPFEDSA-N 296.414 3.750 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc(-n2cc(C)nc2O)c1 475513225 JNYLOFIXCGQHRB-JSGCOSHPSA-N 285.391 3.899 30 20 CHED C#Cc1cccc(NC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1 296349226 NAQCDZLXGHRWNB-CVEARBPZSA-N 282.387 3.710 30 20 CHED N#C[C@H](C(=O)c1ccc(F)cc1)c1nc(C2CC2)cs1 647371121 KZMAJJHDMFBAPF-GFCCVEGCSA-N 286.331 3.650 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@H](C)c3ccccc32)n1 807973673 HVRVWSXSTBDMOA-VIFPVBQESA-N 286.766 3.762 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ccc([N+](=O)[O-])cn1 807964001 STVZJGXMQBUALO-SNVBAGLBSA-N 264.329 3.604 30 20 CHED CC(C)Oc1nnc(S[C@@H](C#N)c2ccccc2)s1 565549231 KCMDJKJMKJGCFP-NSHDSACASA-N 291.401 3.682 30 20 CHED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)C#N 563994050 ORRMQMQATWCQRF-BLLLJJGKSA-N 292.810 3.573 30 20 CHED CN(CCC(C)(C)C#N)Cc1ccc(F)c(Cl)c1 561887072 QNPVLXZSEZWLAA-UHFFFAOYSA-N 268.763 3.851 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)CCOc1ccccc1 489859832 QSIGZLYAKFTLOG-OAHLLOKOSA-N 289.419 3.810 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)C(C)(C)C 561781555 AUCUCQDFLFDSOQ-GFCCVEGCSA-N 287.856 3.797 30 20 CHED CCCCCCCCNC(=O)c1c(C)nsc1C 814122091 LPSYTXMWGAGPFS-UHFFFAOYSA-N 268.426 3.850 30 20 CHED C=CCOCCN(C1CC1)[C@@H]1CCCc2ccccc21 645093260 KMOKECPADRBEAE-GOSISDBHSA-N 271.404 3.731 30 20 CHED C=CCCCOC(=O)c1ccc2c(c1)CCCCC2=O 810603651 CFQWVYUYPZWBOJ-UHFFFAOYSA-N 272.344 3.719 30 20 CHED CC#CCCNC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 483154011 JZVKFJUTCSLPEL-HNNXBMFYSA-N 290.382 3.626 30 20 CHED CC[C@@H](C)CCC(=O)N(CCC#N)c1ccc(F)cc1 569949007 FSNLACVVEHPWEQ-CYBMUJFWSA-N 276.355 3.899 30 20 CHED C=CCC(C)(C)c1noc(-c2nc(C)c(C)s2)n1 645624135 GQHXCFRRPMHBAC-UHFFFAOYSA-N 263.366 3.664 30 20 CHED CCC[C@H](C)[C@H]1CCCN1c1cc(C)nc(C#N)c1 561258745 FCRMNTHYWDGKFP-BLLLJJGKSA-N 257.381 3.667 30 20 CHED N#CCC[C@@H](C#N)CN[C@H]1CCCCC12CCCC2 564868665 HSIHFWGQQIIEJU-GJZGRUSLSA-N 259.397 3.523 30 20 CHED C#CCON=Cc1ccc(-c2ccc(F)cc2)s1 812234095 PJGYSKLJMGDRCS-UHFFFAOYSA-N 259.305 3.538 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn(C(CC)CC)c1CC 485192775 FKZLRPSCKXDUPU-LBPRGKRZSA-N 292.427 3.893 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C)c(C(C)=O)c1 654216652 CNMIXPJKXZJIRH-CYBMUJFWSA-N 274.364 3.674 30 20 CHED C=CCC1(CNCc2c(C3CC3)cnn2C)CCCC1 657485957 PHINMOLFTOOHRI-UHFFFAOYSA-N 273.424 3.524 30 20 CHED C=CCC(F)(F)C(=O)NC1(c2cccc(Cl)c2)CC1 815679316 FXIUUFQHCYIGDP-UHFFFAOYSA-N 285.721 3.657 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)Oc1ccc(F)cc1 489800989 NVFUBJVOTIEOMF-UHFFFAOYSA-N 293.382 3.702 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(F)c2C#N)C1 488342852 CUCBNOUQWMIAJH-OLZOCXBDSA-N 288.366 3.642 30 20 CHED CC(=NOCCC1CC1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 814247243 XRTLTOJNVBNOBL-LBPRGKRZSA-N 290.363 3.966 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(O)cc1F 811590133 QJORXTISCMOQHJ-UHFFFAOYSA-N 279.355 3.788 30 20 CHED COc1cc(C)c(C(C)=NOC/C=C\Cl)cc1C 811671865 LPPSRPJLUHWASZ-YJRZGTHQSA-N 267.756 3.805 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(COCC)cc1 488504628 LZRMPFZBXWKNEQ-MRXNPFEDSA-N 288.391 3.796 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(Cl)c1C 489913510 ZDOZGPLOYZEFLZ-UHFFFAOYSA-N 265.784 3.981 30 20 CHED COc1ccc(CC(C)=NOC/C=C/Cl)c(C)c1OC 814934262 QCKUJLQRZLXTIZ-UKNXVJMESA-N 297.782 3.700 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(Cl)o2)c1 814870879 UNLYLQGFWXIRJU-UHFFFAOYSA-N 268.675 3.527 30 20 CHED C=C(C)CN(C)[C@@H](C)c1ccc(OC(F)F)cc1 481313814 HODPBXIWKKBRKP-NSHDSACASA-N 255.308 3.857 30 20 CHED CCCCN(C)CCNc1ccc(C#N)c(C(F)(F)F)c1 488176288 JVQJCGJXEKILOZ-UHFFFAOYSA-N 299.340 3.721 30 20 CHED CN(CC(C)(C)C#N)c1c(C#N)cnc2c(Cl)cccc12 571075956 JHJLAIZUYJCFTI-UHFFFAOYSA-N 298.777 3.746 30 20 CHED CCCO[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)CC1 487879145 WEYIJKHXEPLUQS-GOSISDBHSA-N 286.419 3.648 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)CCOc1ccccc1 488881346 SNFNCCWODBDMNO-CVEARBPZSA-N 287.403 3.659 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc2oc(C(=O)OC)cc2c1 489421777 DTMXIEGRTALLHQ-HNNXBMFYSA-N 299.370 3.760 30 20 CHED CCCCCCCC(=O)Nc1cnn(C(C)C)c1 727317280 CUXUQIPLJBKPRL-UHFFFAOYSA-N 251.374 3.763 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 577266217 GRMALSXIIHGHPG-BRWVUGGUSA-N 284.403 3.769 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](Nc1ccnc(C#N)n1)c1ccc(Cl)cc1 579374378 QKHHIJJJFYLLFV-HICWGWBUSA-N 298.777 3.811 30 20 CHED C=CCCn1cc(CN[C@@H]2CCC[C@H]2CCC(C)C)nn1 653634060 JEWXDHMQZBLWKQ-DOTOQJQBSA-N 290.455 3.549 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc([C@@H](C)C(=O)OC)c1 822647944 PVNBELWTZIICPF-CHWSQXEVSA-N 289.375 3.504 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc(C(C)C)nc2ccccc12 575950753 SULFNIPJLKPOBM-SFHVURJKSA-N 295.386 3.780 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cccc(C2CC2)c1 570642750 AIZUZDHHRFZSPX-UHFFFAOYSA-N 270.376 3.624 30 20 CHED COc1cccc(NN=Cc2ccc(N3CCCCC3)o2)c1 725855271 PHBHMLTZMYQADR-UHFFFAOYSA-N 299.374 3.725 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)Oc2ccc(C#N)cc2)n1 579383992 UOXOGATVHQEZIJ-LBPRGKRZSA-N 297.358 3.935 30 20 CHED C=C(C)C(C)(C)c1nc(C2Cc3ccccc3C2)no1 579226194 SWKRQEKMWRWMGN-UHFFFAOYSA-N 268.360 3.806 30 20 CHED C#Cc1cccc(NC(=S)N(C)Cc2ccsc2)c1 726448769 TWMAQGCSXLJILJ-UHFFFAOYSA-N 286.425 3.558 30 20 CHED CCc1cccc(CC)c1NC(=S)NCCCCC#N 728798278 IMKAMJFASSBOKN-UHFFFAOYSA-N 289.448 3.792 30 20 CHED O=C(C#Cc1cccs1)N1CCC[C@H]1c1ccsc1 825104005 KFECSKURGVDJJM-AWEZNQCLSA-N 287.409 3.525 30 20 CHED Cc1cc(C)c(CNC(=O)CCCCCC#N)c(C)c1 588154849 XNSSLGQABKHYJE-UHFFFAOYSA-N 272.392 3.702 30 20 CHED C=CC[C@H]1CCCN(c2cc(C(F)(F)F)nc(C)n2)C1 664254317 UJSMIDDSGDRULS-NSHDSACASA-N 285.313 3.596 30 20 CHED O=C(/C=C\c1cnn(Cc2ccc(F)cc2)c1)c1ccco1 588535226 WOPHJLGPVREHFQ-YVMONPNESA-N 296.301 3.560 30 20 CHED C=CCC1(NC(=O)Nc2ccc3c(c2)COC3)CCCC1 666506241 CFZLCAHJBVUPFD-UHFFFAOYSA-N 286.375 3.727 30 20 CHED C=CC[C@@H](NC(=O)N1CCC[C@@H](CC)C1)c1ccncc1 734680939 WTACFOPVRDEZMC-GDBMZVCRSA-N 287.407 3.530 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)[C@@H]1CCCC[C@@H]1C 825614435 VXVUOQXAZWFEFV-BLLLJJGKSA-N 288.366 3.738 30 20 CHED CC1(C)CCC[C@@H]1NCc1ccc(Cl)cc1C#N 492897079 WXNXTESRZNVSCS-AWEZNQCLSA-N 262.784 3.880 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(C(C)C)c1 663326054 GTVRYJFPQSJCAT-MSOLQXFVSA-N 273.420 3.881 30 20 CHED C#CCCCCCC(=O)Nc1cc(Cl)cnc1Cl 839401564 XDFVKBVOIXSTMN-UHFFFAOYSA-N 285.174 3.911 30 20 CHED C/C(=C/C(C)(C)C)C(=O)Nc1cccc(CC#N)c1 837072079 BPDFLGZBDKNHGT-QXMHVHEDSA-N 256.349 3.684 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CC[C@@H](Cc2ccccc2)C1 835022266 YLKGBDNVLRHHME-RDJZCZTQSA-N 286.419 3.542 30 20 CHED C#Cc1ccc(C(=O)O[C@H](CCC)CCCC)cn1 730304720 PRCLTOMDKHPRQR-OAHLLOKOSA-N 259.349 3.579 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@]23CCc2ccccc23)C1 839050566 BZEDMMLELGYZDK-UJNZZBMASA-N 295.382 3.516 30 20 CHED C[C@H](NN=CC1CCC(C(F)(F)F)CC1)C(F)(F)F 834998740 XCPUQCPFKQDJIP-UEJVZZJDSA-N 290.251 3.881 30 20 CHED CCCSC[C@H](C)NC1(c2cccc(C#N)c2)CC1 903139934 WMYCIJPESNRYIW-ZDUSSCGKSA-N 274.433 3.669 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2cccc(F)c2)cc1 733321353 BITDBQBDBBMRIL-CQSZACIVSA-N 283.346 3.689 30 20 CHED CCC/C(C)=C/C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 735793758 YCNXNLWBWKNEEN-YGNAEDSMSA-N 281.359 3.794 30 20 CHED CCCCCCCCC(=O)NC[C@@](C)(O)c1ccccc1 734017411 KYVALUMQXFMQHZ-GOSISDBHSA-N 291.435 3.761 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1CCc2ccc(F)cc21 730147462 OPZFUOYOTKGPNH-HNIBHBHRSA-N 285.318 3.646 30 20 CHED C[C@@H]1CC=C(C(=O)OC[C@@H](C#N)Cc2cccs2)CC1 835261185 QXLXSVHMFSYQJC-CHWSQXEVSA-N 289.400 3.720 30 20 CHED C=CCCOCC(=O)N1CCC[C@H]1c1cc(C)ccc1C 675571396 GJJVRESJBOMOPT-KRWDZBQOSA-N 287.403 3.560 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1nnc(-c2cccs2)o1 837862965 DQJCYWNZSOLKSU-SECBINFHSA-N 292.360 3.615 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2ccccc2)nc1C 736238521 LMFLKRJMINAXLN-UHFFFAOYSA-N 286.762 3.539 30 20 CHED CCOc1ccc(NCCOc2ccc(C#N)cc2)c(C)c1 917827434 LZFWWGZBHRPOQY-UHFFFAOYSA-N 296.370 3.756 30 20 CHED CCN(CCC#N)c1cc(SCc2ccccc2)ncn1 594553146 XMDDQEKGKYDBAI-UHFFFAOYSA-N 298.415 3.509 30 20 CHED CCc1nc(SCc2ccc(C#N)cc2C)nc(O)c1C 594903902 UMYQMEODAZYPQT-UHFFFAOYSA-N 299.399 3.525 30 20 CHED CC(CCC(C)C)=NNC(=S)Nc1ccccc1F 915920297 CSVDKBQXWOSBDI-UHFFFAOYSA-N 281.400 3.924 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Cl)c(SC)c1 593743571 JVFISHGSCVHUCD-MRVPVSSYSA-N 268.769 3.550 30 20 CHED C=CCCSCCNC(=O)N(CC)C(CC)CC 596715936 OGJCSMYELXQIFT-UHFFFAOYSA-N 272.458 3.516 30 20 CHED C[C@H](NC(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccc(C#N)cc1 596742656 WKEOLUNNDRZAKT-IAOVAPTHSA-N 296.414 3.952 30 20 CHED C=CCOCCCC(=O)N(CC)c1ccc(CC)cc1 742528897 YBRARVYZTSQQOE-UHFFFAOYSA-N 275.392 3.585 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](C)c1oc2ccccc2c1C 845623779 QHHAPXKPQJNAEL-ZYHUDNBSSA-N 288.347 3.608 30 20 CHED Fc1ccccc1-c1ccc(C=NNc2ncccn2)s1 912975310 YXTONAHMURALPE-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CCCC[C@H](CCC)NC(=O)N1CCC[C@@H](CC#N)C1 595536267 XLNSAYGHCCHMDN-GJZGRUSLSA-N 279.428 3.681 30 20 CHED C=CCCCC(=O)NC1(c2ccccc2Cl)CC1 843629345 DDQZYUZBPCSLCB-UHFFFAOYSA-N 263.768 3.802 30 20 CHED Fc1ccc(CNN=C/C=C\c2ccccc2)cc1F 915974932 MIPNRANLJLEYKS-WJFQHQKPSA-N 272.298 3.754 30 20 CHED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CC[C@H](C#N)C1 590156316 DLPWVGRIRBGUMI-GDAAHCPNSA-N 298.430 3.778 30 20 CHED CSCCCON=Cc1ccccc1C(F)(F)F 742352392 PXWSGEDUDLZQFL-UHFFFAOYSA-N 277.311 3.809 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@H]1c1ccc(F)cc1 595703193 LFKUSCQXAOPDCS-KRWDZBQOSA-N 296.345 3.653 30 20 CHED N#Cc1ccc2c(c1)CCCC2=NOCc1ccccc1 743434498 RELFNKFEUYVHQG-UHFFFAOYSA-N 276.339 3.815 30 20 CHED CCCC1CCC(NC(=O)N2CCC[C@H](CC#N)C2)CC1 596191305 OBDDDAOKNZUXJZ-HWOWSKLDSA-N 291.439 3.681 30 20 CHED CO[C@]1(C)CC(=NNc2cc(F)cc(F)c2)C1(C)C 746567454 ZGLOFFRFCSUAHK-CQSZACIVSA-N 268.307 3.568 30 20 CHED CC(C)CCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842937098 DWBOLJJZGXGIRG-LLVKDONJSA-N 262.378 3.633 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NC[C@H]1CCCOC1 918018897 JMIXDSZMGOXQNX-HZPDHXFCSA-N 298.471 3.709 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 746575522 DREDYHKRXRSVEP-SNVBAGLBSA-N 286.297 3.920 30 20 CHED C=CC[C@@H]1CCC(=NNc2cccc(C(=O)O)c2)C1 844564806 HDJHTCQHMPEFAO-LLVKDONJSA-N 258.321 3.529 30 20 CHED O=C1/C(=C\c2cc(F)c(O)c(F)c2)CCc2sccc21 749892998 WQLRJBYKYBZFOY-UITAMQMPSA-N 292.306 3.944 30 20 CHED C=CCCSCCNC(=O)c1oc2ccccc2c1C 597975126 YUJSBWVYZYNQNT-UHFFFAOYSA-N 289.400 3.780 30 20 CHED C=CCN(C(=O)c1ccc(COC(C)C)cc1)C(C)C 914682976 YNMSNXSGWKEZLD-UHFFFAOYSA-N 275.392 3.648 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H](C#N)C1CCCCC1 592614055 FPKDNSUHUBVXLV-RRFJBIMHSA-N 276.424 3.647 30 20 CHED CCS[C@H]1CCC[C@@H](Nc2nc(C#N)ccc2C)C1 596152413 XCMPDPRSZDJAIR-OCCSQVGLSA-N 275.421 3.738 30 20 CHED CC[C@@H](COC(=O)c1ccccc1CC#N)CC(F)F 849670688 XTRUBBKYASDOQV-LLVKDONJSA-N 281.302 3.591 30 20 CHED CCc1cccc(CNc2ccccc2O[C@@H](C)C#N)c1O 848902118 KUWILDXFNAKADP-ZDUSSCGKSA-N 296.370 3.858 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc(CCO)c1 590780106 UIORRQQUPZIGAZ-IBGZPJMESA-N 292.382 3.583 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 594094450 KECZFIPGOSVJHC-UWVGGRQHSA-N 299.201 3.857 30 20 CHED C[C@H]1C[C@@H](C)N(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 740631930 FPWSULRKFZLFTE-VHSXEESVSA-N 293.823 3.639 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)c1csc2ccccc12 845447552 DOAAHTYJBBWJHG-WDEREUQCSA-N 272.373 3.628 30 20 CHED Cc1cc(NC(=O)NCC(C)(C)CC#N)ccc1Cl 594188786 IYPWEIODAGGTPN-UHFFFAOYSA-N 279.771 3.710 30 20 CHED Cc1ccc2c(c1)CC[C@H]2N[C@H](C)CC(C)(C)C#N 924844529 UYPQDVXYSXQGKZ-CZUORRHYSA-N 256.393 3.900 30 20 CHED CC(CCc1ccccc1)=NOCc1cccnc1 746589039 YLPIALRQYLUFEC-UHFFFAOYSA-N 254.333 3.607 30 20 CHED CC(C)c1nn(C)cc1-c1ccc([C@H](C)C#N)cc1 844229058 FIINDYSXWHCNTH-GFCCVEGCSA-N 253.349 3.838 30 20 CHED CCCCCCO[C@H](C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 841255884 POXHQUPVGWBANO-RBSFLKMASA-N 281.396 3.597 30 20 CHED CN(C)c1ccc(CSCC2(C#N)CCC2)cc1 842181102 VDNAKFSEGWTXCO-UHFFFAOYSA-N 260.406 3.680 30 20 CHED CCOc1ccccc1C=NN[C@@H](C)c1ccccc1 920386141 RRHYBVWQIVFSMC-AWEZNQCLSA-N 268.360 3.770 30 20 CHED C=CC(C)(C)CCOC(=O)c1c(C)noc1C1CC1 851300616 XEOBYDNDZNQJFZ-UHFFFAOYSA-N 263.337 3.620 30 20 CHED COc1ccc(F)cc1[C@@H](C)N[C@@H](C)CC(C)(C)C#N 924705810 MNQRZDCDZDHDJV-NWDGAFQWSA-N 278.371 3.813 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)c1ccccc1F 929932531 CVBVJGIPBQFZBK-STQMWFEESA-N 263.356 3.947 30 20 CHED Cn1c(C=NNc2ccccc2)nc2cc(Cl)ccc21 755461563 GKZQRGTWLMGBNP-UHFFFAOYSA-N 284.750 3.673 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1COc2ccc(Cl)cc21 925532493 SMFDDWVTADPAII-GWCFXTLKSA-N 278.783 3.691 30 20 CHED CC(C)c1ncc(/C=C2/Oc3ccccc3C2=O)s1 758433799 JRYXTXVGMHLWHE-NTUHNPAUSA-N 271.341 3.883 30 20 CHED C=C[C@H](CC)CC(=O)NCc1coc(-c2cccs2)n1 929601405 PCHBBXABGTVQJG-LLVKDONJSA-N 290.388 3.622 30 20 CHED CO[C@H](C#N)c1ccc(-c2cccc3c2OCCCO3)cc1 854200780 NUMUTDWGZNWZRN-QGZVFWFLSA-N 295.338 3.726 30 20 CHED C#CCCCC(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 758303884 ZCFBZWNMPHGCBD-KRWDZBQOSA-N 287.378 3.553 30 20 CHED CC[C@H](C)c1ccc(C(=O)N2CCC(C#N)CC2)cc1 755261023 QSCWGBWHQDLQES-ZDUSSCGKSA-N 270.376 3.576 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCCC2(CCCCCC2)C1 753247641 NXHOBISRSBTYOK-HNNXBMFYSA-N 276.424 3.544 30 20 CHED O=C(/C=C/c1ccc(F)c(Cl)c1)c1cc(O)ccc1O 755599099 OXOIMVCZTAOUAM-GORDUTHDSA-N 292.693 3.786 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C/c2cccs2)C1 855437674 ZOSGLIJJBHEPHI-MMQHEFTJSA-N 261.390 3.576 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2c(c1)CCCC2=O 851204224 MPVNTLDKDFQPHM-LBPRGKRZSA-N 299.370 3.691 30 20 CHED CCC(C[C@H](C)CC)=NNc1ncc(Cl)cn1 857223781 XTOPWLKSEOZPLB-SECBINFHSA-N 254.765 3.744 30 20 CHED CC(=NNc1ccc(Cl)cn1)c1sc(C)nc1C 853437329 KRHRGICNNMGWOL-UHFFFAOYSA-N 280.784 3.644 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2O)cc1C 757476613 XHJQIAHYTOOEME-VQHVLOKHSA-N 268.312 3.605 30 20 CHED COc1ccc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1O 759119091 ZYJHRYPTSGJJIZ-MFOYZWKCSA-N 296.322 3.634 30 20 CHED CCCCCCCCSc1nnnn1CC(F)(F)F 750959658 WXVVJSVQQHKFDD-UHFFFAOYSA-N 296.362 3.688 30 20 CHED C=CC[C@H]1CCCN(Cc2c(O)ccc3ccncc23)C1 853537243 SDSPUWZDVFXXPT-AWEZNQCLSA-N 282.387 3.729 30 20 CHED C=CCOC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 759832670 SANNAUMIQUGVMR-UHFFFAOYSA-N 274.360 3.713 30 20 CHED CSCC1(CCNc2snc(Cl)c2C#N)CC1 853792950 KIEPQCJUGFUEEQ-UHFFFAOYSA-N 287.841 3.613 30 20 CHED CCCOc1cncc(-c2ccc([C@H](C#N)OC)cc2)c1 854191913 WQJSQXOHGZFNPY-KRWDZBQOSA-N 282.343 3.748 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccccc2C2CC2)c1 751131398 VEAQPIKESIAGHJ-UHFFFAOYSA-N 286.325 3.966 30 20 CHED CC(C)c1ccccc1C(=O)N1CCc2c(C#N)cccc21 857629259 QKZDVFMADMUQJS-UHFFFAOYSA-N 290.366 3.885 30 20 CHED FC(F)(F)c1cccc(C=NO[C@H]2CCCCO2)c1 755813968 JSZIZTMDIXOYHF-LBPRGKRZSA-N 273.254 3.583 30 20 CHED C#Cc1cccc(NCc2ccc([N+](=O)[O-])c(OCC)c2)c1 754886278 VTZJBXHQUFXPCV-UHFFFAOYSA-N 296.326 3.587 30 20 CHED Brc1cncc(NN=CC2CCCCC2)c1 758122082 DIVPEQHFVQSRID-UHFFFAOYSA-N 282.185 3.822 30 20 CHED C=CCN(C)C(=O)Nc1cccc(OC(C)(C)C)c1 934050636 VFSYZOPGXKWSKD-UHFFFAOYSA-N 262.353 3.514 30 20 CHED CCOc1ccc(N(C)Cc2ccc(C#N)c(C)c2)cc1 864012720 YZLUTDNKJYDTLK-UHFFFAOYSA-N 280.371 3.902 30 20 CHED Cc1ccc([C@@H](C)C=NNc2nc(C)cc(C)n2)cc1 863063100 MJARGTMGQNCXOR-LBPRGKRZSA-N 268.364 3.603 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C\c2ccn(C)n2)cc1 863197686 VRPFBPFNQIXJMN-XPSMFNQNSA-N 268.360 3.830 30 20 CHED COCC(=NNc1ccc(F)c(Cl)c1)C(C)C 863179455 WZYVVQMABLEWDU-UHFFFAOYSA-N 258.724 3.549 30 20 CHED CO[C@H](C)C(C)=NNc1c(Cl)cccc1Cl 763178242 BSNWTJSJWXRJKA-MRVPVSSYSA-N 261.152 3.816 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(N2CCCCCC2)cc1 935273748 NDBWFUJIGWRXRW-UHFFFAOYSA-N 286.419 3.715 30 20 CHED CCc1ccccc1NN=Cc1cnc(C2CC2)o1 863079021 RCDZVKYIGCABTN-UHFFFAOYSA-N 255.321 3.560 30 20 CHED C#CCCc1noc(Cc2ccc(-c3ccccc3)cc2)n1 762011095 FMKAZIMUBKSSQA-UHFFFAOYSA-N 288.350 3.893 30 20 CHED Cc1cccc2c1CCC2=NNc1ncnc2ccsc12 764835655 OTIXIBRALQVTKU-UHFFFAOYSA-N 294.383 3.762 30 20 CHED C=C1CN(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)C1 930358963 PWMDHDSIFANJGI-HNNXBMFYSA-N 299.418 3.778 30 20 CHED CC(=NNc1c(C)cccc1F)c1cc(F)ccc1O 769839539 DNRPFXUHPWRTFD-UHFFFAOYSA-N 276.286 3.815 30 20 CHED C=C(Cl)CSCc1cccc2nsnc12 764660251 QKVYODVPZXWMLM-UHFFFAOYSA-N 256.783 3.677 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC2CCC(F)(F)CC2)cc1 761334841 JJMSYEJQLAKSIE-LBPRGKRZSA-N 294.345 3.645 30 20 CHED Cc1ccc(NN=Cc2ccc(F)c(Cl)c2Cl)nn1 761806518 CPDQGPPTLLZYKK-UHFFFAOYSA-N 299.136 3.677 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)c1ccccc1F 767997613 SJEWJGXWZXBJHJ-UHFFFAOYSA-N 297.329 3.984 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccc(C(F)(F)F)nn2)C1 768365776 ADMFUAVGPREBRS-VHSXEESVSA-N 286.301 3.719 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2ccc(C#N)cc2Cl)o1 769737204 LYSPXBIWHDSHSY-JTQLQIEISA-N 288.734 3.855 30 20 CHED CC#CC(=O)Nc1ccc(Sc2nc(C)cs2)cc1 764383665 UBNOEUWBSPVGTA-UHFFFAOYSA-N 288.397 3.565 30 20 CHED CC(=NNCCOC(C)C)c1ccc(-c2ccccc2)o1 778554425 QDTSXEFOTFAYLR-UHFFFAOYSA-N 286.375 3.685 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc(F)c(Cl)c1 773159978 JMPWPFCIKRZRTE-XGICHPGQSA-N 298.704 3.843 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(C#N)cc2F)c1 772807145 PRWDWXIMBBTKIR-FPLPWBNLSA-N 265.287 3.902 30 20 CHED Cc1nn2c(C=NOC3CCCC3)c(C(C)C)nc2s1 774602342 HYMFIADRDXYLAJ-UHFFFAOYSA-N 292.408 3.516 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)c(F)c1 772798620 VWCCUOFFLSHRGR-HWKANZROSA-N 293.297 3.528 30 20 CHED CCOCCON=C(Cc1ccccc1)Cc1ccccc1 774417579 OMLVZELEJVXHMU-UHFFFAOYSA-N 297.398 3.881 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc2c(c1)COC2 777932267 HVHMTXYXGQHLKA-UHFFFAOYSA-N 294.354 3.599 30 20 CHED C[C@H]1CCC[C@@H](C(=O)OCc2ccc(CC#N)cc2)C1 776111314 DHKMYKUCJHXPLY-XJKSGUPXSA-N 271.360 3.622 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCC3)Cc2c(O)cccc21 1116138946 AMNPVIWKIPZWGV-XNTDXEJSSA-N 276.335 3.703 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCOC(C)(C)C1 872370943 FGCMAILKXBCNBI-UHFFFAOYSA-N 296.802 3.610 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1nc2cccc(C)c2o1 1117756981 OBLRHJYTEHDHOT-GXTWGEPZSA-N 272.348 3.529 30 20 CHED Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(O)c1 877594409 SSSHREAWXPOFAF-GOSISDBHSA-N 292.382 3.740 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1-c1noc(C)n1 779844283 OOQAVKRNGYUWCA-UHFFFAOYSA-N 297.358 3.567 30 20 CHED C=C1CCC(C(=O)Nc2ccc3nc(C)oc3c2)CC1 887931061 HQNXZKZKBWTQTO-UHFFFAOYSA-N 270.332 3.821 30 20 CHED C#CCCCCCC(=O)N(CCCC)[C@@H](C)CC 779834472 UDCJEECRFWIISJ-HNNXBMFYSA-N 251.414 3.997 30 20 CHED COc1ccc(CS[C@@H](C)CCC#N)c(OC)c1 882307498 RGWXSMQMMQGPRM-NSHDSACASA-N 265.378 3.629 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)c(C#N)c1)C2 770573831 VCTIMDIELBFIDH-VGOFMYFVSA-N 277.298 3.828 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1nc(-c2ccncc2)no1 773206639 ICEGSOXYZRYMHP-OCCSQVGLSA-N 297.362 3.522 30 20 CHED CC(=NNc1ncncc1Cl)c1cc(C)cc(C)c1 780280946 WRMAOHYLDZTFBB-UHFFFAOYSA-N 274.755 3.583 30 20 CHED N#CCN(C[C@@H]1C[C@@H]1c1ccccc1)C1CCCC1 93563266 INDAJIZOOJFJOA-DOTOQJQBSA-N 254.377 3.558 30 20 CHED CCCCCCCC(=O)N[C@@H](c1cnn(C)c1)C(C)C 885440322 WQMCRLPVEQMKCB-MRXNPFEDSA-N 279.428 3.594 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 784118931 OVDJLNCHDBBBOE-UHFFFAOYSA-N 293.294 3.546 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cnc(-c2ccco2)s1 782287732 NUABIKPRAZIJPI-CYBMUJFWSA-N 289.404 3.905 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1cccc([N+](=O)[O-])c1 783784435 DGLFWOYUDUNQRV-NWDGAFQWSA-N 261.325 3.819 30 20 CHED C#Cc1cccc(N(C)C(=O)CCCc2ccsc2)c1 783410092 NDZUOEDPHZKVBY-UHFFFAOYSA-N 283.396 3.715 30 20 CHED C/C=C(\CC)C(=O)N(CCC#N)c1ccc(C)cc1 789747716 LHGLIUDCDTZAKF-LNKIKWGQSA-N 256.349 3.598 30 20 CHED Cc1cc(O)c(CN2CCC[C@@](C)(C#N)C2)cc1C(C)C 784012168 GVHULYNZRCGPFK-SFHVURJKSA-N 286.419 3.950 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)CC(C2CCC2)C2CCC2)C1 1122735261 JRFLLQKSAGLPEQ-SWLSCSKDSA-N 275.392 3.828 30 20 CHED C#CCCCCC(=O)Nc1cc(F)c(OC(C)C)c(F)c1 784702805 BPCMKVSWFUUQSI-UHFFFAOYSA-N 295.329 3.884 30 20 CHED C=C1CC(c2noc([C@H](C)Oc3ccc(C)cc3)n2)C1 896890115 HOZXIDNYSVDXDL-LBPRGKRZSA-N 270.332 3.952 30 20 CHED C[C@@H]1CCC(=NNc2ncccc2Cl)[C@H](C)C1 783833519 RQGNQENOHPZXCL-NXEZZACHSA-N 251.761 3.959 30 20 CHED CCSCCC=NNc1ccc(Cl)c(C(=O)O)c1 781114785 VMUYMOAQEVLSFX-UHFFFAOYSA-N 286.784 3.579 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C1\CC[C@H](C)C1 787943869 CIKIPIRRSAFDDH-REQDGWNSSA-N 262.397 3.664 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NNCCc2ccccn2)C1 789106136 YMWPUSYEWGBTSP-LJQANCHMSA-N 293.414 3.712 30 20 CHED CC(C)c1ccc(C=NOCC[C@@H]2CCCO2)cc1 786738799 MYQCSCIFZKVMPD-INIZCTEOSA-N 261.365 3.730 30 20 CHED C=CC1(OC(=O)Cc2csc(-c3cccs3)n2)CC1 893365760 RAGUSUBDJJSXEO-UHFFFAOYSA-N 291.397 3.676 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccnc(F)c1 794722832 WRDJBPRTOJWPBO-BQYQJAHWSA-N 271.291 3.516 30 20 CHED N#Cc1ccc(C2CCN(Cc3ccccc3O)CC2)cc1 897589587 PCTFFENEPAKKJH-UHFFFAOYSA-N 292.382 3.643 30 20 CHED Cc1c(Cl)cnc(N[C@H](c2ccncc2)C2CC2)c1C#N 897423830 QSWMPHPNRPENIV-HNNXBMFYSA-N 298.777 3.873 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc(C)nc1 799493527 FXKGHTVZVFYRKM-UHFFFAOYSA-N 253.349 3.707 30 20 CHED CCC[C@H](NC(=O)Nc1cc(C#N)ccc1F)C1CCC1 1206061714 KKMGDHJTYKPXDX-AWEZNQCLSA-N 289.354 3.788 30 20 CHED CC(C)[C@H]1CCCC(=NN[C@H](CO)c2ccccc2)C1 794538671 UUZUNSRYHJKWBS-DOTOQJQBSA-N 274.408 3.512 30 20 CHED CC(C)N(C)c1ccc(C=NNc2cccc(F)c2)cn1 790159855 NBORXEDBBCDILW-UHFFFAOYSA-N 286.354 3.511 30 20 CHED CC(=NNC[C@H](C)C#N)[C@H](C)c1ccc(Cl)cc1 794523342 MREBXKITCKFJHZ-MNOVXSKESA-N 263.772 3.569 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Nc2cc(C)c(C#N)cn2)c1 1208079213 ODKULGCZVYJYOQ-UHFFFAOYSA-N 294.358 3.547 30 20 CHED C/C(=C\Cl)CSc1ccc([N+](=O)[O-])cc1C#N 797830264 ULKGMCFCFHYUNW-VMPITWQZSA-N 268.725 3.701 30 20 CHED N#Cc1cccnc1NCc1ccc(C(F)(F)F)cc1 16738908 YKBFSCJRSLMKDO-UHFFFAOYSA-N 277.249 3.584 30 20 CHED Fc1cccc(NN=C(CC(F)(F)F)c2ccccc2)n1 795006696 RSORTKTWYWLRBX-UHFFFAOYSA-N 297.255 3.989 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1ccc(OCC#N)cc1 796323820 ITFAAWZFSXVLAK-KRWDZBQOSA-N 289.375 3.849 30 20 CHED C#CCCOc1ccc(CN(C)Cc2ccn(CC)c2)cc1 792182296 BEWPMXUSJXUKII-UHFFFAOYSA-N 296.414 3.542 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)C[C@H]1CCOC1 793531794 JKUBDWSZLVONOD-HRCADAONSA-N 253.430 3.916 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)Cn1ccc2ccccc21 797079365 OAUPZQHIPKZWHQ-AWEZNQCLSA-N 271.360 3.787 30 20 CHED CC(C)(C)c1ccc(CNc2cccnc2C#N)cc1 582352853 CCPPWRHSOFZKPQ-UHFFFAOYSA-N 265.360 3.863 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)C[C@@H]1CCOC1 793531795 JKUBDWSZLVONOD-JYJNAYRXSA-N 253.430 3.916 30 20 CHED Cc1cc(C#N)cc(NCc2nc3c(s2)CCCC3)c1 590663239 LPOAECUUADYMLJ-UHFFFAOYSA-N 283.400 3.814 30 20 CHED CCc1ccc(Nc2cc(C#N)nc(C)n2)cc1Cl 691235746 ZGRNMTZWWBZEJX-UHFFFAOYSA-N 272.739 3.616 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1c(C#N)nnc2ccccc12 88298909 HKXNIXHVGYMBTK-NWDGAFQWSA-N 268.364 3.738 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1CC1(CC#N)CC1 1307804167 ZQWPKONCWTVPEX-VYDXJSESSA-N 268.404 3.947 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1cccc2ccsc12 1151935644 HMYRIFCQWQXLCG-UHFFFAOYSA-N 281.340 3.662 30 20 CHED N#Cc1ccccc1CSc1ccc2[nH]ncc2c1 1307357382 UDIKEYDUNFNDAB-UHFFFAOYSA-N 265.341 3.727 30 20 CHED CCOc1cc(C)ccc1NC(=O)CC#Cc1ccccc1 1319654611 JKYVICZKLCUFGU-UHFFFAOYSA-N 293.366 3.774 30 20 CHED Cc1cc(F)ccc1NC(=O)Nc1ccc(OCC#N)cc1 1318801496 OXMQETPGUXYMKT-UHFFFAOYSA-N 299.305 3.681 30 20 CHED CC(C)c1nc(C=NOC2CCCCC2)cs1 1320461832 SIUYOBPAEJZNAT-UHFFFAOYSA-N 252.383 3.950 30 20 CHED N#CCc1cccc(NC[C@H](c2ccccc2)C2CC2)n1 1324430477 QYFIAEXEERLQNE-QGZVFWFLSA-N 277.371 3.753 30 20 CHED O=C(CC#Cc1ccccc1)NCc1cccc(C(F)F)c1 1320551497 XETVMRPAVHLEQL-UHFFFAOYSA-N 299.320 3.682 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1occ(C)c1C 1328631621 DQMVFTSXOGOEFW-INIZCTEOSA-N 283.371 3.814 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@]1(C)CC(C)C 1324549021 MTBVANYGWURPTR-ZDUSSCGKSA-N 259.340 3.625 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cc(Cl)cs2)nn1 1320894865 VELDPIDUBMGURU-UHFFFAOYSA-N 294.811 3.935 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNc1cc(C#N)nc(CC)n1 1186704512 ARTNTZFKHFXDKY-UONOGXRCSA-N 286.423 3.929 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccccc1-n1cccn1 1334107035 BVFINGFQDFNBCF-CYBMUJFWSA-N 268.364 3.613 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Br)cc1 205757472 MDKGQQQJYQLRII-UHFFFAOYSA-N 296.208 3.781 30 20 CHED N#CCC1(CSCc2ccc(Cl)cn2)CC1 1261658136 XCJMORIWHSFGKH-UHFFFAOYSA-N 252.770 3.662 30 20 CHED CN(C)[C@@H]1CCCC[C@H]1/N=C\c1c(O)ccc2ccccc12 1338806186 KMVMWZNNFGHHID-WDMUNCKQSA-N 296.414 3.837 30 20 CHED N#Cc1ccc(NC(=O)[C@H](F)CC2CCCCC2)cc1 1349960251 CPNCXOXGFVPBEM-OAHLLOKOSA-N 274.339 3.805 30 20 CHED C=C(CC)C(=O)N(CC)[C@H](C)c1cccc(OC)c1 1346279823 NBMDJDNTHNNXBZ-CYBMUJFWSA-N 261.365 3.571 30 20 CHED Fc1ccc(CNN=Cc2ccc3c(c2)CCC3)cc1F 1349823762 OTDFOXFOGWWTTB-UHFFFAOYSA-N 286.325 3.577 30 20 CHED Cc1nc2ccc(NC(=O)c3csc(C#N)c3)cc2s1 1348092044 NAWXDPNGCNAKLG-UHFFFAOYSA-N 299.380 3.790 30 20 CHED C=C(C)CCC(=O)Nc1ccc(COC(C)C)cc1 1357825202 BQMYQFOVZFEAPU-UHFFFAOYSA-N 261.365 3.906 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc(C#N)c1C 1435035441 MTPDUIIWKBYAEW-RHSMWYFYSA-N 284.403 3.955 30 20 CHED CC(C)CC1(C(=O)[C@H](C#N)c2cccc(F)n2)CCC1 1516711167 SAYQMEZPXFHNFS-GFCCVEGCSA-N 274.339 3.613 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc(Cl)ccc1NC1CC1 1294310777 QFNMCNBFMZQYPO-UHFFFAOYSA-N 291.782 3.793 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 221385382 SGFISBHMSXALGR-IAGOWNOFSA-N 256.393 3.863 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)[C@@]1(C#N)CC12CCCC2 1522700917 OCSJFZKXXUNDFG-FHIRATQRSA-N 275.392 3.828 30 20 CHED O=C(O)c1ccc(NN=C/C=C/c2ccco2)cc1Cl 1602382387 LGIIAHZFMNJTHP-SIISZUACSA-N 290.706 3.742 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)C1 1525549132 KRUWWIBXDOXSJP-QGZVFWFLSA-N 298.430 3.823 30 20 CHED CC(C)(CC=NNc1c(Cl)cccc1Cl)C(=O)O 1603592331 YHQVQCGJCAKXHB-UHFFFAOYSA-N 289.162 3.892 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/C=C/c2ccc(F)cc2)cc1 1602317117 YQFFUVABGSVJRY-ZPUQHVIOSA-N 296.297 3.976 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccccc1 1467712068 CTEBGNSQQBHKBE-YSVLISHTSA-N 286.419 3.824 30 20 CHED CC[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)O 1605106437 RCSJLCDUOZYWPQ-INIZCTEOSA-N 296.326 3.626 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(C(=O)O)co2)c(C)s1 1600075546 DWVXPXQDFPSSDZ-ONEGZZNKSA-N 276.313 3.552 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C 1538673633 VQRNAYXBEBAAFN-INWMFGNUSA-N 284.403 3.669 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](C)c1ccccc1F 119561942 GQALFJJUGYCLPG-ZDUSSCGKSA-N 261.340 3.539 30 20 CHED Cc1ccc2c(c1)SCCCN2Cc1cccc(C#N)n1 1647044741 UMDDWBONINWMDD-UHFFFAOYSA-N 295.411 3.764 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(OC)cc1C 1658087308 QWNSPVYDUHHEOG-UHFFFAOYSA-N 296.370 3.886 30 20 CHED C[C@@H](NC[C@@]1(C)CCCS1)c1ccc(OCC#N)cc1 122069043 FJHKHFCCYGWQBV-CZUORRHYSA-N 290.432 3.525 30 20 CHED Cc1cc(F)c(COC(=O)c2cc(C#N)cs2)cc1F 1587368907 SBNJUIBFANKLBI-UHFFFAOYSA-N 293.294 3.563 30 20 CHED C=C(Cl)CNCc1cc(Cl)ccc1OCC1CC1 1657275821 VVXKRRLPSLMQIA-UHFFFAOYSA-N 286.202 3.971 30 20 CHED N#C[C@H]1CCC[C@H](NCC2(c3cccc(F)c3)CCC2)C1 1660668949 SXZIBTSYWSWJCI-YOEHRIQHSA-N 286.394 3.919 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N2CCc3cc(C#N)ccc32)C1(C)C 1597103260 ZCZBDLHMACPJAQ-DJJJIMSYSA-N 296.414 3.910 30 20 CHED C=CCc1ccccc1CN[C@H](C)CCC[C@H](C)C(=O)O 1776188511 XEGUYEHWEDCXMC-LSDHHAIUSA-N 289.419 3.784 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@@H](C)CC(C)C 1776014148 JFEUWRHJOCYUEH-NSHDSACASA-N 262.353 3.855 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)cc2)c1 1776126900 AQNLBQHXSQYSRQ-IXIPZQGVSA-N 292.334 3.989 30 20 CHED CCC(CC)C(C)=NNc1ccc(C(=O)O)cc1OC 1776051282 DFWXEADJNCHFTL-UHFFFAOYSA-N 278.352 3.617 30 20 CHED C=CCc1ccccc1OCC(=O)Nc1ccc(C)c(F)c1 5476593 YAWKHBYXCIHJPS-UHFFFAOYSA-N 299.345 3.880 30 20 CHED Cc1cc(NC(=O)c2cccc(C#N)c2)ccc1OC(C)C 152794738 UVRXEWGYLZDDBU-UHFFFAOYSA-N 294.354 3.906 30 20 CHED CCCCCCCCC(=O)NC[C@@](C)(O)c1cccs1 156245052 ULPLLKXSMPSCFB-MRXNPFEDSA-N 297.464 3.822 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C 156427255 AUYIHMWREILSIY-WMLDXEAASA-N 291.435 3.587 30 20 CHED CCCN(CCSCC)Cc1ccc(C#N)cc1 159259286 KNXVQWVZCPANTF-UHFFFAOYSA-N 262.422 3.523 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 208014318 DLPKMYGFCWNRNP-ALCCZGGFSA-N 289.237 3.769 30 20 CHED N#Cc1cccc(NC(=O)CSC2CCCCC2)c1 7603086 WRHBFVLIWKNJGF-UHFFFAOYSA-N 274.389 3.563 30 20 CHED CCN(c1ccc([N+](=O)[O-])cc1C#N)C1CCCCC1 8149034 VWRXDHNFUKDPTK-UHFFFAOYSA-N 273.336 3.625 30 20 CHED CC(C)(C)[C@H]1CCCN(c2cccnc2C#N)CC1 130034311 KTMVWJUOLPJRCD-ZDUSSCGKSA-N 257.381 3.606 30 20 CHED CC(C)CCCCCCNC(=O)c1cccc(C#N)c1 29692737 HJZOCHIXJSORLJ-UHFFFAOYSA-N 272.392 3.895 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1ccccc1F 168757968 HPVNFKKFCHEYON-QGZVFWFLSA-N 268.335 3.938 30 20 CHED Cc1ccc(C)c(C(=O)Nc2cc(C#N)ccc2C)c1 49524639 ADBWHNWESJPXFZ-UHFFFAOYSA-N 264.328 3.736 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(F)cc2Cl)c1 308141142 TXPWAUPQUVGQIJ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc3ccccc3c2)o1 312776228 GZVMONLYDSLRNH-UHFFFAOYSA-N 262.268 3.557 30 20 CHED N#CCC1(CNCc2csc(Cl)c2Cl)CC1 336709237 REURJJYPSXQULG-UHFFFAOYSA-N 275.204 3.838 30 20 CHED Cc1cc(C#N)ccc1N[C@H]1CCO[C@H](C(C)(C)C)C1 721827839 PKTPBZLDJQSMOW-HOCLYGCPSA-N 272.392 3.872 30 20 CHED C[C@@H](NC[C@@H]1CCCC1(F)F)c1cccc(C#N)c1 390895784 DBQSKNWXRFYCAQ-RISCZKNCSA-N 264.319 3.644 30 20 CHED Cc1ccc([C@H]2CCCN2c2nccc(C#N)c2Cl)o1 334262504 ZOXMUVGREJNSDK-GFCCVEGCSA-N 287.750 3.850 30 20 CHED C=CCN(Cc1cccs1)C[C@@H](O)c1cccc(F)c1 51262292 ZDNXAKUTFGGVSU-MRXNPFEDSA-N 291.391 3.609 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ncc(C(C)(C)C)o1 109813264 WJAGJGQRBDWRQS-UHFFFAOYSA-N 277.412 3.734 30 20 CHED N#CCN(Cc1cccc(C(F)F)c1)C1CCCC1 348065457 ZQMYXSOSQXRKBP-UHFFFAOYSA-N 264.319 3.892 30 20 CHED CC(C)[C@@H](C)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 171408401 ILIRKMORHUPSBA-AWEZNQCLSA-N 284.403 3.731 30 20 CHED C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1 178179734 DUUNHGDDJXIHHF-SJCJKPOMSA-N 296.345 3.872 30 20 CHED Clc1ccc(C#CCN2Cc3ccccc3C2)cc1 177144869 BXFZBVVBNUAZQW-UHFFFAOYSA-N 267.759 3.707 30 20 CHED CCc1nn(C)cc1/C=C1\C[C@@H](C)c2ccccc2C1=O 179742923 HCPUFIXVSIMSAW-GMCKNXKJSA-N 280.371 3.756 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 103025296 OUEXBJNKHMCTDJ-TWGQIWQCSA-N 297.310 3.808 30 20 CHED C=CCSCCC(=O)Nc1ccc(Cl)cc1F 114757521 UVAHILXECBYGNE-UHFFFAOYSA-N 273.760 3.727 30 20 CHED N#Cc1cccc(SCc2ccccc2C#N)c1 177100000 WEMUIZUNMSGWGQ-UHFFFAOYSA-N 250.326 3.722 30 20 CHED N#Cc1cccc(C(=O)N2CCCC3(CCCCC3)C2)c1 111160526 ZVFDSFANQTXVSM-UHFFFAOYSA-N 282.387 3.745 30 20 CHED Cc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(C)n1C1CC1 116807814 XUQOTYUWTJYVKV-KPZWWZAWSA-N 299.418 3.642 30 20 CHED C=CCCCC(=O)NCc1cccc(OCC(C)C)c1 175416845 BPMZGSOGJICHJK-UHFFFAOYSA-N 275.392 3.694 30 20 CHED CN(CCOc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 29810318 YTQGLCSSUZUXQV-IBGZPJMESA-N 292.382 3.556 30 20 CHED Cc1cc(CNc2ccc(Cl)c(C#N)n2)ccc1F 301199357 LRHFDGPXWHVYPA-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CCS[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 114757515 HKXQETOLXLQIDM-STQMWFEESA-N 277.433 3.734 30 20 CHED CCC(CC)CN(CCC#N)C(=O)Nc1cccc(C#N)c1 176338205 UKHGILHCXSLCRK-UHFFFAOYSA-N 298.390 3.742 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)Nc1sccc1C#N 66014771 ZJCOMCJSINDUPC-JTQLQIEISA-N 288.347 3.576 30 20 CHED C=CCCCCCN1CCCCC[C@H]1C[C@H](C)O 300257402 OAIZHXQVHCDUHU-HOTGVXAUSA-N 253.430 3.748 30 20 CHED C=C(C)[C@@H](Nc1nnc(C)s1)c1ccc(F)c(F)c1 302397649 KIPDXBHBRLTDPQ-GFCCVEGCSA-N 281.331 3.854 30 20 CHED CC(C)(C)CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 114619704 KESQIEKLJSDQCM-LBPRGKRZSA-N 299.399 3.818 30 20 CHED Cc1csc([C@@H](C)CNc2c(F)cc(C#N)cc2F)n1 302139604 OGZFJPCHYKWYAZ-QMMMGPOBSA-N 293.342 3.817 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1ccc(C)s1 1346406226 ZXGUBCKEYYQHAK-UHFFFAOYSA-N 251.395 3.617 30 20 CHED COc1ccc2ccccc2c1CNc1ncccc1C#N 29528451 HBLXJDKUKLXDSO-UHFFFAOYSA-N 289.338 3.727 30 20 CHED N#CCCN(Cc1ccco1)C(=O)c1coc2ccccc12 113161342 CXRUGYLVZQQWLD-UHFFFAOYSA-N 294.310 3.582 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(Cl)c2OC)CC1 111736214 NZASGTNRWFAETO-UHFFFAOYSA-N 294.782 3.779 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)c1ccc(Cl)s1 176615760 BQLLEFIWCHBVTA-BDAKNGLRSA-N 257.786 3.586 30 20 CHED C=CCCCSc1nnc(-c2cccnc2)n1C1CC1 117549202 IZKCHCUINRWURZ-UHFFFAOYSA-N 286.404 3.733 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 117481101 SNDWYHRFFVRFLF-YOEHRIQHSA-N 299.418 3.839 30 20 CHED C[C@@H](c1ccccc1F)N(C)c1ccc([N+](=O)[O-])cc1C#N 301304287 ZGCCUQQKQKHURV-NSHDSACASA-N 299.305 3.803 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 1347522089 MTSZLLRHEUBQRG-CRAIPNDOSA-N 296.414 3.694 30 20 CHED C=CCCCC(=O)N(CC=C)Cc1ccccc1F 175393541 JRJOILZBYSTQGC-UHFFFAOYSA-N 261.340 3.697 30 20 CHED Cc1cccc(O[C@H](C)C(=O)Nc2cc(C#N)ccc2C)c1 69177397 YTXMGUQOPMXODT-CQSZACIVSA-N 294.354 3.581 30 20 CHED C=CCCCC(=O)Nc1cccc(OCCCC#N)c1 175365890 QCJYXGYLJYARCE-UHFFFAOYSA-N 272.348 3.664 30 20 CHED N#Cc1cccnc1N1CCCC[C@@H]1Cc1ccccc1 301505758 CQNHSPVIIMBUDL-QGZVFWFLSA-N 277.371 3.555 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(C#N)s1 125883219 LXUILEHTIXEJDB-XUJVJEKNSA-N 260.406 3.773 30 20 CHED CC(C)[C@H](C#N)OC(=O)CCCc1c[nH]c2ccccc12 121574848 QJWLLYRYOASMPA-INIZCTEOSA-N 284.359 3.582 30 20 CHED Cc1csc([C@@H](NCc2ccc(C#N)cc2C)C2CC2)n1 186324235 ASQQTFODSFPHRH-INIZCTEOSA-N 297.427 3.873 30 20 CHED C[C@@H](C#N)OCCSCc1ccc(Cl)cc1 304226405 JEOKFVJXJCZGPI-JTQLQIEISA-N 255.770 3.502 30 20 CHED CC(C)CN(CC(C)C)C(=O)c1c(F)cc(C#N)cc1F 123333229 YRXKRSABVPKUNR-UHFFFAOYSA-N 294.345 3.591 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)NC[C@H](C)C#N 182659372 MWQPTBNZIDPQLV-CZUORRHYSA-N 287.407 3.541 30 20 CHED N#Cc1cccc(NCc2ncc(-c3ccc(F)cc3)o2)c1 72817078 DNDLFQUFLVDEIZ-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CCN(CCc1scnc1C)[C@H](C)c1ccc(C#N)cc1 74350232 VHUHSFJILXHRLP-CQSZACIVSA-N 299.443 3.949 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2Cc2ccccc2)s1 124976441 KCFXVNSECALBLI-HNNXBMFYSA-N 282.412 3.827 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1nc(C(C)C)cs1 180955696 HYDZCADVDHXTCW-LBPRGKRZSA-N 295.452 3.811 30 20 CHED CCN(Cc1cncc(C)c1)[C@@H](C)c1ccc(C#N)cc1 189804076 YFLYKDDVZMKORX-HNNXBMFYSA-N 279.387 3.845 30 20 CHED CC(C)c1ccccc1OCCN[C@@H]1CCC[C@H](C#N)C1 185836521 WZLSGBQKFNJWMY-JKSUJKDBSA-N 286.419 3.861 30 20 CHED C=C(Br)CN[C@H](C)[C@H](C)c1ccc(OC)cc1 125106042 HCNBZBSNAVIGNE-NWDGAFQWSA-N 298.224 3.685 30 20 CHED COc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c2cccnc12 185889120 YOIMFKBGAZEWGH-CHWSQXEVSA-N 281.359 3.738 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](OCCC(C)C)C1 186253886 DELORRCRPJEFJS-GOSISDBHSA-N 286.419 3.504 30 20 CHED N#Cc1cccnc1Sc1ncc(-c2ccc(F)cc2)o1 78744322 BGNYVOYRLDQDOF-UHFFFAOYSA-N 297.314 3.899 30 20 CHED CCSc1cccc(NC(=O)NCC2(C#N)CCC2)c1 416853791 UOLXJORBUSDZKA-UHFFFAOYSA-N 289.404 3.614 30 20 CHED CC[C@@H](CC#N)NCc1c[nH]nc1-c1cccc(Cl)c1 184085672 HMNANUKUPPJZJE-AWEZNQCLSA-N 288.782 3.512 30 20 CHED C=C[C@@H]1CCCCN1Cc1csc(C(C)C)n1 489512760 OPOWFYJZLCXSOE-CYBMUJFWSA-N 250.411 3.807 30 20 CHED CCC[C@@H](O)CSc1ccc(C#N)c(C(F)(F)F)c1 413002601 RVACKXQGSZPFIA-SNVBAGLBSA-N 289.322 3.830 30 20 CHED C=C(C)CN(C)C(=O)c1oc2c(C)cccc2c1C 180433720 FBVNEYDAJCXEGY-UHFFFAOYSA-N 257.333 3.698 30 20 CHED C=CCC[C@H](C)N[C@@H](CN)c1ccc2ccccc2c1 414935266 FPQBUSGZSXGKML-KSSFIOAISA-N 268.404 3.784 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(Cl)cc1 120216986 GPHRYGOFEMSPRE-RYUDHWBXSA-N 282.767 3.925 30 20 CHED CC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1OC(C)C 189977406 VYPABEJLMRNCLU-GFCCVEGCSA-N 274.364 3.720 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2CCSc3ccccc32)C1 185753934 NACJMVGYJKKVHQ-YDHLFZDLSA-N 272.417 3.895 30 20 CHED COc1cc(C#N)ccc1CNc1cccc(Cl)c1F 500848244 WANVPOALLWDJMP-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)Oc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1 186393888 XPYQFQKCAXTPAB-YCRREMRBSA-N 285.318 3.904 30 20 CHED Cc1cc(C)cc(C[C@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 185845725 UCHXSDOOTKCJSA-BQFCYCMXSA-N 270.420 3.906 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)c1cccc(O)c1)c1ccccc1 186851052 OSCJVXOWEYAASV-KBXCAEBGSA-N 295.382 3.929 30 20 CHED C=C(C)CCSc1nc2cc(Br)cnc2[nH]1 505467140 LAXHGTDICLXCNU-UHFFFAOYSA-N 298.209 3.779 30 20 CHED CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 181998629 ZUKKBYVOZGEUEE-ACJLOTCBSA-N 298.361 3.736 30 20 CHED Cc1cc(C)cc(/C=C2\Oc3cc(O)ccc3C2=O)c1 49372023 OZNIJUANISHIRR-PXNMLYILSA-N 266.296 3.625 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 136163575 BNHIFJALJSGHFK-DKEFEPSLSA-N 288.435 3.647 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(F)c(C)c2)c1 184765793 QCVLDSAKEPXDNS-GQCTYLIASA-N 255.292 3.734 30 20 CHED CCc1ccc(-c2ccc(C(=O)N(C)C[C@H](C)C#N)o2)cc1 79704431 DBBKHLOOWXRYGK-CYBMUJFWSA-N 296.370 3.741 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)s1 134502419 IFIDJJJTIIMQLK-HNQUOIGGSA-N 275.279 3.794 30 20 CHED COc1ccccc1/C(C)=C/C(=O)OCC(C)(C)CC#N 184755960 XBOMTJWTGZTDAN-ACCUITESSA-N 287.359 3.582 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccsc2Br)C1 282426237 MDTAQFOYZGAFHQ-KOLCDFICSA-N 299.237 3.683 30 20 CHED C=C(C)CN(CC)C(=O)CCc1cc(Cl)cs1 134411908 FBBNJOJKFTUEKI-UHFFFAOYSA-N 271.813 3.759 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OCC)cc1F 412899019 PNHYNLDZTWXFBU-UHFFFAOYSA-N 265.328 3.765 30 20 CHED C[C@@H](OCCCNc1ncc(C#N)cc1F)c1ccccc1 413032782 KYUBWOMRTHNGDH-CYBMUJFWSA-N 299.349 3.672 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)CC1CCOCC1 414300006 KKHYLDGADFCKPH-LPHOPBHVSA-N 287.447 3.969 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1CCCc1ccccc1 190411164 SMSNFTXGLAKYDI-SFHVURJKSA-N 283.415 3.804 30 20 CHED N#Cc1csc(CN2CCc3ccc(Cl)cc32)c1 507720447 FJWHJRGKSSCHEZ-UHFFFAOYSA-N 274.776 3.836 30 20 CHED C[C@@H]1CCC[C@@H](Nc2c(C#N)nnc3ccccc23)[C@@H]1C 85919867 JWJUIXIKZQCZRJ-YRGRVCCFSA-N 280.375 3.738 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@H](C)CC1 194465500 KWXBSPMVYCNFRT-AWEZNQCLSA-N 273.376 3.514 30 20 CHED COC(=O)c1ccc(/C=C2\C(=O)c3ccccc3C2(C)C)o1 195332755 NBGZLEWZJKLMCJ-GXDHUFHOSA-N 296.322 3.624 30 20 CHED CCCc1nc(/C(O)=N/[C@@H]2CC23CCCCC3)co1 328770703 CPBKBAPOGKQYTH-GFCCVEGCSA-N 262.353 3.655 30 20 CHED OC(=Nc1ccc(N=C(O)[C@@H]2C[C@H]3C=C[C@H]2C3)cn1)C1CC1 329217202 PTYVXDOECVMUQE-VHRBIJSZSA-N 297.358 3.880 30 20 CHED COc1c(C)ccc(NC(=O)c2cccc(CC#N)c2)c1C 192581360 PLNIDAALOAFDOK-UHFFFAOYSA-N 294.354 3.630 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1c1ccccc1Cl 48566508 ITMRXCRUBXCXFX-HNNXBMFYSA-N 283.762 3.948 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(F)cc2)n1 80450885 HRXNRHBGWAJCPC-LBPRGKRZSA-N 288.347 3.896 30 20 CHED C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)CC 194392735 UHSQTVCSGJHFAH-HOTGVXAUSA-N 289.419 3.795 30 20 CHED CCC(=O)Nc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 193110851 NVHDSVBUNRDYRL-WFASDCNBSA-N 271.364 3.529 30 20 CHED N#CC1(c2nc(C3(c4ccc(F)cc4)CC3)no2)CCCC1 424366941 YXIFRKGVGCFEDR-UHFFFAOYSA-N 297.333 3.624 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(COc2ccccc2)cc1 84713019 RIGCIHORERZWRV-MRXNPFEDSA-N 295.338 3.725 30 20 CHED C[C@@H]1CCC[C@H](C/C(O)=N/Cc2nnc(C3CC3)o2)C1 329252853 CBWPISQOKQEFBO-MNOVXSKESA-N 277.368 3.620 30 20 CHED Cc1cc([C@@H](C)Nc2ccc(C#N)cn2)c(C)s1 42240328 SNNBUYFAMDSIQS-SNVBAGLBSA-N 257.362 3.805 30 20 CHED N#Cc1cccc(C2(NC[C@@H]3CCCC(F)(F)C3)CC2)c1 514150051 WIGHETCDUSEYQD-CQSZACIVSA-N 290.357 3.962 30 20 CHED CCO[C@@H]1C[C@@H](Nc2ccc(CC#N)cc2)C12CCCC2 85679617 KZMZALYFLBSMQC-IAGOWNOFSA-N 284.403 3.902 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)Nc2ccc(C(F)(F)F)nc2)C1 331304083 UEMHMISDIWBHRE-BDAKNGLRSA-N 287.285 3.615 30 20 CHED Cc1cccc(NCc2ccc(F)c(C#N)c2Cl)n1 428859785 JDQNNGVLGBRQKO-UHFFFAOYSA-N 275.714 3.666 30 20 CHED N#Cc1cc(Br)ccc1OCCC1CCC1 229465607 FERTZIWBBSIPEF-UHFFFAOYSA-N 280.165 3.890 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 424117053 CGCGIMNNINQYIS-UHIISALHSA-N 293.208 3.792 30 20 CHED COCC(C)(C)CN(Cc1ccc(C#N)cc1)CC(C)C 426402677 SPIKNGDAPHYFLB-UHFFFAOYSA-N 288.435 3.689 30 20 CHED CCCCCCCC[S@](=O)Cc1nc(C(C)C)no1 190762115 JXHWBAIFMCLWCQ-IBGZPJMESA-N 286.441 3.802 30 20 CHED CC[C@@H](NCc1cc(C#N)n(C)c1)C(C)(C)c1ccccc1 191185243 XFJKHSQGSUIKDH-GOSISDBHSA-N 295.430 3.743 30 20 CHED CN(C(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1F 335802147 ZZHSMFITULAADA-UHFFFAOYSA-N 294.738 3.689 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 514703781 MEBLHMIWRNUKNX-PMUMKWKESA-N 284.403 3.784 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(F)c(F)c1F 337740915 CTLQLLNFZQQNHZ-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1noc(C2CC2)c1N=C(O)[C@H]1CCc2cccnc21 330135456 MVSMPKPIJPIPKK-LBPRGKRZSA-N 283.331 3.573 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc(F)c1C 421528146 UTOXGVNITUMBME-UHFFFAOYSA-N 276.355 3.727 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(NC)ccc1Cl 425233224 GFQVQFIEQLTPIG-LLVKDONJSA-N 280.799 3.856 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Cl)o1 335669475 OYRVYSIDSSXWKT-HNNXBMFYSA-N 286.762 3.972 30 20 CHED Cc1ccc(SC2CCCC2)c(C(=O)NCCC#N)c1 427652615 WACONAJRGWYSMO-UHFFFAOYSA-N 288.416 3.673 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C)(C)C1CC1 514812645 NEFGDWLWBOFQSD-UHFFFAOYSA-N 275.367 3.777 30 20 CHED COc1ccc(F)cc1[C@H](C)Nc1cc(C#N)cc(C)n1 339967889 NGMMMIQPYLQJOI-NSHDSACASA-N 285.322 3.583 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)Cc1ccc(Cl)s1 338843049 QYCXCDFZYSHBKK-UHFFFAOYSA-N 296.827 3.514 30 20 CHED C=CCC(F)(F)c1nc(Cc2ccc3c(c2)CCC3)no1 517104690 PMFIPZABLBRIRP-UHFFFAOYSA-N 290.313 3.817 30 20 CHED C=CCC(C)(C)c1noc(-c2ccnn2C2CCCC2)n1 518546239 BOUIIHZSXZUYRU-UHFFFAOYSA-N 286.379 3.902 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1cc(C#N)oc1C 436110139 ZTYSCHSGBWKGLT-LBPRGKRZSA-N 282.343 3.568 30 20 CHED CN(C(=O)c1ccc(C2=CCCC2)cc1)C1(C#N)CCC1 336181612 FHSDVECUEGKSEJ-UHFFFAOYSA-N 280.371 3.772 30 20 CHED CC1CCC(N2CCN(CC(C)(C)CCC#N)CC2)CC1 93387054 FLZFFTXJEGXXFT-UHFFFAOYSA-N 291.483 3.513 30 20 CHED CC1(C)CCC[C@H]1Nc1nc(Cl)c(C#N)s1 232778354 HPVGSEDWNPJBMC-MRVPVSSYSA-N 255.774 3.659 30 20 CHED OC1=N[C@H](/C(O)=N/[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 330212502 KHMSJJMNQQLXKZ-KFWWJZLASA-N 286.375 3.788 30 20 CHED CC[C@H](C)c1ccc(NC(=O)Cn2ccc(C#N)c2)cc1 339193008 NTKOSAURNBFHPB-ZDUSSCGKSA-N 281.359 3.512 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](C)c1ccccc1C 522504658 ANFWTPZYHYBVNE-OAHLLOKOSA-N 257.377 3.689 30 20 CHED C=CCOc1ccccc1CNC(=O)C1CCCCCC1 521965991 BZLAYPZAFDXYGO-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccsc2Cl)C1 616731801 RNOPPBLZXREPRD-GFCCVEGCSA-N 254.786 3.527 30 20 CHED C[C@H](CN(CCC#N)Cc1ccco1)c1ccc(F)cc1 437595486 YVMHWANJMDYWFR-CQSZACIVSA-N 286.350 3.938 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1F 49120016 RCYWHJBPBDICOB-BBRMVZONSA-N 260.356 3.756 30 20 CHED C[C@@H](NC(=O)Nc1cccc(C#N)c1)[C@@H]1C[C@H]2CC[C@H]1C2 248852404 HGRHFYFCCMDRGO-DSPQJCBJSA-N 283.375 3.504 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2CCC)CC1 521167508 QSEGCMASHHWIDC-HOTGVXAUSA-N 278.440 3.953 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H](C)c2ccccc2F)C1 246819256 BWSYVECPRIJROR-XNJGSVPQSA-N 288.366 3.518 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cccc(C#N)c1C 432269047 PSIKOGPXVMWFKE-RYUDHWBXSA-N 273.380 3.813 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2cnccc2C#N)CC1 345363579 CYPUFMSMNWTOLI-GJZGRUSLSA-N 299.418 3.678 30 20 CHED CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1cc(C)ccc1C 602377828 WJWITEFJNSPYCF-CZUORRHYSA-N 287.407 3.556 30 20 CHED C[C@H](C#N)C(=O)NCc1ccccc1Sc1ccccc1 347121250 ZAHXYIWOQRKJJS-CYBMUJFWSA-N 296.395 3.614 30 20 CHED C=CC[C@@H](CC)NC(=O)c1sccc1-n1cccc1 343773782 RDTVQWYZUXPLJR-GFCCVEGCSA-N 274.389 3.623 30 20 CHED C=CCC[C@@H](NC(=O)[C@H]1CCSC1)c1ccccc1 435292633 YVBXXZGOKGWITC-LSDHHAIUSA-N 275.417 3.563 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 602310879 IFWPBLVCHNLPHH-YESZJQIVSA-N 296.414 3.503 30 20 CHED Cc1ccc([C@H](NC[C@H](C)CCC#N)C2CC2)cc1 602509946 IIKRHDQLMMUSNJ-PBHICJAKSA-N 256.393 3.976 30 20 CHED COc1ccc(N=Cc2cc(Cl)ccc2O)cc1OC 252617762 KZSPKNZRBKAHBU-UHFFFAOYSA-N 291.734 3.813 30 20 CHED C=CC[C@H](C)NC(=O)NCCCSc1ccc(F)cc1 342093488 WESPAGNQPAXIAX-LBPRGKRZSA-N 296.411 3.572 30 20 CHED N#Cc1cc(F)cc(OCc2ccc(C(F)(F)F)cn2)c1 340810866 ZXBPKOUOZHLTAO-UHFFFAOYSA-N 296.223 3.690 30 20 CHED CCc1occc1C(=O)Nc1cc(C#N)c2ccccc2n1 345028390 LBVQMOCMSLYBKR-UHFFFAOYSA-N 291.310 3.514 30 20 CHED CC[C@H](C)Cc1noc(C[C@@H](CC#N)c2ccccc2)n1 601399964 VHOBTKKUYSPTMM-DZGCQCFKSA-N 283.375 3.898 30 20 CHED C=CCOc1ccc(CC(=O)N2CCC[C@H]2C2CCC2)cc1 448898234 IPFUYKOEBLAGKX-SFHVURJKSA-N 299.414 3.585 30 20 CHED C=CCCCN1CCC(CN2CCCCCC2)CC1 605149927 QHMUQWHAVOTQIL-UHFFFAOYSA-N 264.457 3.541 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cccc(C#N)n1 602516412 LBUMPTBIXCWHFF-INIZCTEOSA-N 295.386 3.658 30 20 CHED Cc1c(NC[C@H](C)CCC#N)cccc1C(=O)N1CCCC1 602492203 VBNXRZUTVDXXAC-CQSZACIVSA-N 299.418 3.583 30 20 CHED C=CCCCSCCOc1ccc([N+](=O)[O-])cc1 609804920 VTJIPJJOZNXVII-UHFFFAOYSA-N 267.350 3.673 30 20 CHED N#CCC1(CNCc2ccc(Sc3ccccn3)o2)CC1 353286604 MDABGZNWTMXUIM-UHFFFAOYSA-N 299.399 3.609 30 20 CHED CCN(CC1CCC1)C(=O)c1ccc(C(C)(C)C#N)cc1 358152905 IIQKWAZCBBWARY-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C=CCCC1(C(=O)N2CCc3cc(F)c(F)cc32)CC1 354598523 KSLORKNXNPOUFL-UHFFFAOYSA-N 277.314 3.600 30 20 CHED C=CCN(C)CC1(c2ccc(Br)cc2)CC1 607359698 GSNGRCIWKQTDPE-UHFFFAOYSA-N 280.209 3.599 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2cccc(F)c21 538365771 DOQSTIMYIQRZDN-LBPRGKRZSA-N 276.355 3.643 30 20 CHED CCC1CCC(N(C)C(=O)c2sccc2C#N)CC1 353618035 KJZSUWMASQIJHS-UHFFFAOYSA-N 276.405 3.661 30 20 CHED C[C@@]1(c2ccccc2)CCCN(CC2(C#N)CC2)CC1 352222686 SBLYIZODFROLRV-QGZVFWFLSA-N 268.404 3.734 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1nc(C(F)(F)F)cs1 602642001 WXMPALQAMNOYAU-DTWKUNHWSA-N 291.342 3.752 30 20 CHED C=C(CC)CSc1nnc(C)n1-c1ccc(OC)cc1 357081976 WJBXFEVXJSUZSR-UHFFFAOYSA-N 289.404 3.643 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 449063438 MRXWDCGQOJXAFF-AXAJEAKHSA-N 260.425 3.873 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@H]1C=CCC1 264234750 YTDGXLBJKMWHOX-HNNXBMFYSA-N 262.397 3.521 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CCc1ccccc1Cl 535326958 UBMHKJWRZLUFEF-MRXNPFEDSA-N 292.810 3.717 30 20 CHED Cc1ccc(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c(C)c1 448283794 NSPKIDNZQOFYSI-OALUTQOASA-N 298.430 3.731 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCO[C@]2(CCSC2)C1 449198061 ZNVXGMBBCBMDKK-HRCADAONSA-N 283.481 3.766 30 20 CHED C[C@H](c1ccc(F)c(F)c1)[S@](=O)CCC(C)(C)C#N 616184070 PYSSNZZGXVNICY-GIGQVBGESA-N 285.359 3.714 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@H]1c1ccc(Cl)c(F)c1 357680689 MZRIFJJKNRCMDN-HZMBPMFUSA-N 287.725 3.714 30 20 CHED Cc1ccc(C)c(OCCCN2CCC[C@@](C)(C#N)C2)c1 612163636 YKMQRJILHUMIPM-SFHVURJKSA-N 286.419 3.698 30 20 CHED CC[C@H](C)Oc1cc(C)ccc1CN[C@@H]1CC[C@@H](C#N)C1 442787265 VKISLUYEFRRASD-ZMSDIMECSA-N 286.419 3.954 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCC2(F)F)C1 617779106 VNLQASQEXHYDNR-OLZOCXBDSA-N 271.351 3.627 30 20 CHED C[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)NC(C)(C)C 610655283 XZLAFFPOTUOWOR-SECBINFHSA-N 296.823 3.607 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(CC#N)cc2)c1 535390028 JLHMFGUVSOJNNQ-OAHLLOKOSA-N 292.382 3.861 30 20 CHED CCC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 610707731 FIAOKTLHEDZEQF-LSDHHAIUSA-N 299.418 3.841 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](c1cccs1)C1CC1 612284320 MOFTVSMBVMLROJ-AWEZNQCLSA-N 276.405 3.583 30 20 CHED C=C(CC)CNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 455518016 FSDDCEIRLTVKJQ-GOEBONIOSA-N 272.392 3.540 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@H]1C1CC1 610859261 PXNZPTQCFLCNOG-KRWDZBQOSA-N 268.404 3.862 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 455525683 RODWAIYRUZMJAE-NSHDSACASA-N 282.334 3.633 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1cccc(Cl)c1 455359240 AACUUVBMWDTXAA-UHFFFAOYSA-N 280.799 3.694 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 612164505 CULMYZACJGSICA-CQSZACIVSA-N 298.308 3.711 30 20 CHED C=CCC1(c2nc(CCCCOC)no2)CCCCC1 453115884 XFAQBSJOBKHTJO-UHFFFAOYSA-N 278.396 3.817 30 20 CHED C=C(C)CN1CCC(NCc2ccc(C3CC3)cc2)CC1 459395873 CZSLOYYLLCUIJQ-UHFFFAOYSA-N 284.447 3.694 30 20 CHED C=CCCCCCN1Cc2ccc(C(=O)OC)cc2C1 618746170 XIBHNJDNZSBPTH-UHFFFAOYSA-N 273.376 3.535 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccncc1C 274612446 UCILPFLQUNWGCM-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 276162528 RAEBHAIZGFZVPT-HIFRSBDPSA-N 276.767 3.623 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@H](c2ccco2)C1)c1ccccc1 364481702 JAUSXPGPIGWJTG-DLBZAZTESA-N 295.382 3.955 30 20 CHED Cc1nc(C)c(CNc2nc3c(cc2C#N)CCCC3)s1 277206128 YIDVGYOCQXXVFP-UHFFFAOYSA-N 298.415 3.518 30 20 CHED COc1cc(C#N)ccc1CSc1nccn1C(C)C 270807590 CDVYNCCJBZWWAP-UHFFFAOYSA-N 287.388 3.637 30 20 CHED CCN(CCc1cccs1)CC(C)(C)CCC#N 271108308 YBVRHQWEDSXZRU-UHFFFAOYSA-N 264.438 3.942 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N1CCC(CC#N)CC1 543833248 UQGXDHBUVYSBGP-AWEZNQCLSA-N 276.424 3.745 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SCC1(O)CCC1 542166579 LPGOVSGWNKRZGI-UHFFFAOYSA-N 296.395 3.627 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(C)(C)CC1 540569484 BEYUFMIBBYUEII-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1ccc(OC(F)F)cc1 272001087 HONLCVNUMJJPFK-NSHDSACASA-N 282.334 3.878 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(n2c(C)ccc2C)CC1 276123793 LXXSTEXHNLDIFV-SFHVURJKSA-N 288.435 3.871 30 20 CHED Cc1ccnc(N2CCC[C@@H]2c2cccc(F)c2)c1C#N 273417027 YLFZGYJIWBUWEX-MRXNPFEDSA-N 281.334 3.742 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)n2C)n1 453184706 JTHSOGKWLAMABB-YPMHNXCESA-N 284.363 3.631 30 20 CHED N#CCc1ccc(C(=O)N2CCCC3(CCCCC3)C2)cc1 270444289 SHSNAPYMQKQBDL-UHFFFAOYSA-N 296.414 3.939 30 20 CHED C=CCCCCCN(C)Cc1noc(C2CCC2)n1 625187010 WOXLYLLMAATQEH-UHFFFAOYSA-N 263.385 3.515 30 20 CHED CCC1(CC)CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 456038805 VISMOYVDVHVNHU-UHFFFAOYSA-N 298.430 3.776 30 20 CHED CC(C)(CC#N)CNC1CCC(C(F)(F)F)CC1 459731505 NSFPNAUGGMCSIV-UHFFFAOYSA-N 262.319 3.637 30 20 CHED CC(C)(CNc1ccc(Cl)cc1C#N)c1ccccn1 450622665 ZAZCPBBKMZPYFV-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@@H]2CCCC[C@H]12 541107059 LMRMPFAYMTZYLW-SRCQZFHVSA-N 272.367 3.708 30 20 CHED Cc1ccc(C[C@@H]2CCCN2c2nccc(C)c2C#N)cc1 541274557 XCEWGTYHQJZDQT-KRWDZBQOSA-N 291.398 3.782 30 20 CHED CCCC[C@H](NC(=O)c1ccc(C#N)s1)C1CCC1 465119807 NGHUDZXXTAEQHH-ZDUSSCGKSA-N 276.405 3.708 30 20 CHED C=C(C)CCSc1nnc(NCc2ccco2)s1 274741172 LOAXAGVGLJANJT-UHFFFAOYSA-N 281.406 3.802 30 20 CHED C=CCC[C@H](NCc1cccc(CO)c1)c1ccco1 279117537 WVVJESHLAVLJLP-INIZCTEOSA-N 271.360 3.569 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1c(F)cccc1Cl 467765897 BPWOCWDUXYMIMC-AWEZNQCLSA-N 269.747 3.698 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCc2c(C)cccc21 546656993 GTUVKMMICOISSW-BBRMVZONSA-N 272.392 3.636 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1 543139879 HVUMNATZELHGGO-UHFFFAOYSA-N 294.398 3.783 30 20 CHED Cc1cccc(C)c1OCCn1nc(C#N)c2ccccc21 543265894 WOHRTTDGKCHGSN-UHFFFAOYSA-N 291.354 3.604 30 20 CHED CC#CCCCC(=O)N(CC(C)C)c1ccc(OC)cc1 464573309 VHVXOAYOGYWCAN-UHFFFAOYSA-N 287.403 3.878 30 20 CHED C=CCC1(C(=O)NCc2cccnc2C)CCCCC1 628898554 QSQIMDPPYNWZRM-UHFFFAOYSA-N 272.392 3.533 30 20 CHED CCC(C)(C)c1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1 468742215 ARXUOMJTBDLZQS-UHFFFAOYSA-N 281.359 3.826 30 20 CHED C=C(CNC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccccc1 287928165 DLYBRINSONPVCL-AWEZNQCLSA-N 284.403 3.672 30 20 CHED C=CCCN(C)C(=O)NCC1(CC(C)C)CCCC1 466799828 GBLVCBSBYUDVEP-UHFFFAOYSA-N 266.429 3.810 30 20 CHED N#Cc1cccc(C2(NC/C=C\c3ccc(F)cc3)CC2)c1 556408973 LYZIAJCXFPKXPO-RQOWECAXSA-N 292.357 3.989 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C/c1cncs1 281800778 VHMZTLJYXPGKIU-CMDGGOBGSA-N 290.432 3.751 30 20 CHED C[C@H](NC[C@H]1CCC(F)(F)C1)c1ccc(C#N)c(F)c1 281282975 ZJPFLXZNLPACCQ-QWRGUYRKSA-N 282.309 3.783 30 20 CHED C=Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 551647982 CYQKEUJOXVKQCJ-UHFFFAOYSA-N 262.312 3.762 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2ccccc2c2cccnc12 465140345 NBGQBCXIIUKYMR-GFCCVEGCSA-N 276.339 3.692 30 20 CHED C=CCC(CC=C)C(=O)NCCSc1ccc(C)cc1 467731165 JUHXIIPOBYBTEW-UHFFFAOYSA-N 289.444 3.972 30 20 CHED C=CC[C@H](CC)NC(=O)C1(Cc2ccccc2)CCC1 466540640 GDLCHTAPNIHGSW-INIZCTEOSA-N 271.404 3.870 30 20 CHED C/C=C\c1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1 558526284 KPCUZYJSVAKIMQ-ARJAWSKDSA-N 283.375 3.877 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(CC(F)(F)F)CC1 552041650 DJMCQCZTRQJREK-UHFFFAOYSA-N 277.330 3.780 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(F)(F)F)nc2)n1 285181764 RCOKNHIPXHYXQY-UHFFFAOYSA-N 283.253 3.659 30 20 CHED CSc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)o1 550742187 AFJRBKZJRRBNIN-OAHLLOKOSA-N 292.404 3.594 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCSC(CC)(CC)C1 474169146 LXWDVPVHDSBRAX-AWEZNQCLSA-N 269.454 3.723 30 20 CHED C(/C=C/c1ccccc1)=NN=c1cc[nH]c2ccccc12 299808229 DYCOFFMFJIBMDT-QICWUTCHSA-N 273.339 3.768 30 20 CHED N#CCCCCNC(=O)NC[C@H]1CCC[C@H]1c1ccccc1 296295454 JASGFCLTINXBSZ-SJORKVTESA-N 299.418 3.563 30 20 CHED C#CCCCC(=O)N(Cc1ccccc1Cl)CC1CC1 804326206 LHBPBZQOSXBANC-UHFFFAOYSA-N 289.806 3.882 30 20 CHED CC[C@](C)(C#N)C(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 557019585 KJKUBMZHECIKHX-CKEIUWERSA-N 278.440 3.895 30 20 CHED C=C(CNC(=O)N[C@@H]1CCc2ccccc21)c1ccccc1 476759295 ALJNSMVOLSWRMV-GOSISDBHSA-N 292.382 3.687 30 20 CHED C=CCCCCNC(=O)C(C)(C)c1ccc(F)cc1 471701279 GWTADIDFTSXOFD-UHFFFAOYSA-N 263.356 3.576 30 20 CHED N#CC1(c2nc([C@@H]3CSc4ccccc43)no2)CCCC1 296581133 VYQBXWZQSKVMTL-GFCCVEGCSA-N 297.383 3.643 30 20 CHED N#C[C@@]1(C(=O)Oc2ccc(Cl)c(F)c2)CC12CCCC2 297908087 SYVLSHHAHLUHAD-OAHLLOKOSA-N 293.725 3.859 30 20 CHED C#C[C@@H](Nc1cccc(C#N)n1)c1ccc(Cl)cc1F 804808049 MNZJARJRVDXSHZ-CQSZACIVSA-N 285.709 3.532 30 20 CHED C=CCCCC[C@H](C)NC[C@H](c1ccnn1C)C(C)C 648540930 TZTBMDPJLOVCFS-HOTGVXAUSA-N 277.456 3.884 30 20 CHED C=C(C)Cn1c(SC2CCC2)nnc1-c1ccncc1 292433483 LXXRCKPAGPUEAW-UHFFFAOYSA-N 286.404 3.561 30 20 CHED C[C@H]1/C(=C\c2cccc(C(=O)O)c2)C(=O)c2ccccc21 809155666 CSYRWNLZUSPCDM-HPUUJOOBSA-N 278.307 3.768 30 20 CHED C=CCOCCCN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C 470790783 XFSHSWQYXIBGRD-HUUCEWRRSA-N 289.419 3.596 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1oc(CCC)nc1C 293630284 KEQRTDWTLHAZCJ-NWDGAFQWSA-N 250.386 3.626 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C(\C)CC 294450193 MDOBPZYPAMAEMU-WYMLVPIESA-N 273.376 3.566 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)c1ccc(F)c(F)c1 802750049 VNRVKCPJAPZNPS-UWVGGRQHSA-N 271.332 3.688 30 20 CHED N#CC1(C(=O)N[C@@H]2CCc3sc(Cl)cc32)CCCC1 567514455 YGVHSWLUMHFKFL-SNVBAGLBSA-N 294.807 3.589 30 20 CHED N#C[C@]1(C(=O)Nc2ccc3ncccc3c2)CC12CCCC2 294654040 YRXNVOCNKDCJBN-SFHVURJKSA-N 291.354 3.647 30 20 CHED C=C(C)CN[C@H](C(=O)Nc1ccccc1)c1ccccc1 472431853 LLJPZCJIMFZKSL-KRWDZBQOSA-N 280.371 3.532 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1CCCC(F)(F)C1 800278350 RSULYWMMYCMKRC-LLVKDONJSA-N 273.323 3.685 30 20 CHED C#C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(C)(C)C 807879114 NOAGPFPPBPETSX-HNNXBMFYSA-N 297.354 3.850 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2C2CC2)no1 806556402 SAWXGIFXZSSNSD-CMDGGOBGSA-N 253.301 3.757 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N1CCCc2cc(C#N)ccc21 297680076 GQKLMKIAHPKSBV-STQMWFEESA-N 270.376 3.520 30 20 CHED COc1ccc([N+](=O)[O-])cc1CSCCC(C)(C)C#N 808369449 QDIICNZFDFXGFS-UHFFFAOYSA-N 294.376 3.776 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2csc(C)c2)C1 640638227 ZLCVZJSKNKVWAL-LBPRGKRZSA-N 264.394 3.877 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2cccnc2C#N)c1 567156771 ZTFPEUBLETVUJQ-AWEZNQCLSA-N 265.360 3.613 30 20 CHED CCO[C@H]1CC(=NOCC2CC2)C12CCCCC2 814241723 NLMMKNFIDKYOSC-AWEZNQCLSA-N 251.370 3.528 30 20 CHED CC(=NOC1CCCC1)c1ccc(Cl)c(N)c1 814895098 UHZWFKNZUQDRIW-UHFFFAOYSA-N 252.745 3.605 30 20 CHED Cc1nc2ccccn2c1COc1cc(Cl)cc(C#N)c1 487475669 RBLASZPOAFKZQD-UHFFFAOYSA-N 297.745 3.747 30 20 CHED C#C[C@@H](C)NC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 812022011 KALSVYHQCXFTLN-SECBINFHSA-N 299.201 3.549 30 20 CHED Fc1ccc(C=NOC/C=C\Cl)cc1C(F)(F)F 811671077 NEEVDVMJVBSHRD-VXNKSQPXSA-N 281.636 3.948 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 815416125 OXGSZCLOKGNGRK-CQSZACIVSA-N 297.320 3.995 30 20 CHED CC(CCCCCCC(=O)O)=NNC1CCCCC1 814910408 VUKHNDLVDNMELH-UHFFFAOYSA-N 268.401 3.710 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2ccncc2c1 650054897 TVRJFJHKQXHJAB-UHFFFAOYSA-N 268.360 3.567 30 20 CHED C=CC[C@@H]1N(Cc2nnc(C3CC3)o2)CCCC1(C)C 577701869 CWNCYNGMPIOWJV-ZDUSSCGKSA-N 275.396 3.514 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cnn(CC(F)F)c2)c1 814187265 DYJZXTSTZMBUFD-AATRIKPKSA-N 290.313 3.661 30 20 CHED C[C@H](C=NNc1ncncc1Cl)C1CCCCC1 814909883 RABKMISUMFVOQL-SNVBAGLBSA-N 266.776 3.744 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2c(C)coc2C)cc1 578203238 LVLOESBMYLNPQK-INIZCTEOSA-N 296.370 3.796 30 20 CHED N#Cc1sc(Oc2cccc(C=O)c2Cl)nc1Cl 814903336 DXYHQZWJNOSATE-UHFFFAOYSA-N 299.138 3.926 30 20 CHED CCCCCC[C@H](CC)C(=O)N[C@H](C#N)C(C)C 813123399 XRDAWKWHHCGSIY-UONOGXRCSA-N 252.402 3.647 30 20 CHED N#Cc1cccc(/C=C2\Oc3c(Cl)cccc3C2=O)c1 729149760 FYJSMFOPFHGLPL-ZSOIEALJSA-N 281.698 3.828 30 20 CHED C=CCN(c1nnc(C(C)C)n1Cc1ccccc1)C1CC1 574853448 UBAZCLVBEDCXPN-UHFFFAOYSA-N 296.418 3.605 30 20 CHED Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1Cl 728451547 MEGNSDJBVUGGLP-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C#CCON=C(CC)Cc1ccc(Cl)cc1Cl 812233564 ZLSOARHCYZOEFH-UHFFFAOYSA-N 270.159 3.952 30 20 CHED Cc1cc(N2CC(C)(C)CC(C)(C)C2)cc(C#N)n1 571232788 BCNHWVUHOGLXDR-UHFFFAOYSA-N 257.381 3.524 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(C#N)cc2)cc1 814983757 OWUAGUNCMDBCCY-UHFFFAOYSA-N 279.343 3.793 30 20 CHED N#CCCCC(=O)OCCCc1ccc(Cl)cc1 812614822 YJZTWLHZXWNHBE-UHFFFAOYSA-N 265.740 3.510 30 20 CHED C=C(C)[C@H](NC(=O)[C@H](CC)OCC)c1ccc(F)c(F)c1 574858036 XINRSLHGRLCBAS-GJZGRUSLSA-N 297.345 3.513 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@H]2CCC[C@@H](C)C2)nc1 818801901 HJTVQBQQXPVMRS-WBVHZDCISA-N 298.430 3.884 30 20 CHED CC1(C)CCCC[C@H]1NCc1ccc(F)cc1C#N 481187539 ZUWJLQUWSMZNGD-OAHLLOKOSA-N 260.356 3.756 30 20 CHED Cc1ccc(NN=Cc2ccc(Cl)c(Cl)c2)nn1 729936267 NIKOGFANRNFQIM-UHFFFAOYSA-N 281.146 3.538 30 20 CHED COc1ccc([C@H](CCC#N)N[C@H]2CCC[C@H](F)C2)cc1 573801847 POBFANHGINJZGR-ZOBUZTSGSA-N 290.382 3.910 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1ccnc(N2CCCC2)c1 657831920 GOOPCNGFAMUHLR-ZWKOTPCHSA-N 299.462 3.906 30 20 CHED C#CCCCOC(=O)[C@@H](C)Sc1ccccc1Cl 727039184 ODQWIJUJMRALSG-LLVKDONJSA-N 282.792 3.777 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)c1ccc(C2CC2)cc1 570783641 OGEFCCRQRNLQHB-NSHDSACASA-N 296.395 3.988 30 20 CHED C=C(Cl)COC(=O)CCCCCc1ccc(O)cc1 729293419 SXWTXNINDOCUIZ-UHFFFAOYSA-N 282.767 3.791 30 20 CHED C=CCC1(C(=O)Nc2nc(C(F)(F)F)co2)CCCC1 653847127 RSENOCDFGJJUHN-UHFFFAOYSA-N 288.269 3.768 30 20 CHED CC[C@@H]1CCC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 578373852 TYAFONTVSIFMTE-KBRIMQKVSA-N 254.377 3.714 30 20 CHED CC#CCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 498605231 KYKJHNBHYQOZPW-RYUDHWBXSA-N 296.197 3.627 30 20 CHED C=CCC1(C(=O)N2CCC(OC(C)C)CC2)CCCC1 579795385 OIIJEGONOQHJKN-UHFFFAOYSA-N 279.424 3.539 30 20 CHED CC(C)CCN(CCC#N)Cc1ccnc(Cl)c1F 823437836 QCOFHGKXLXGRML-UHFFFAOYSA-N 283.778 3.636 30 20 CHED C=CCCNC(=O)N[C@H](CC)c1ccc(Cl)cc1 661572610 UGNNAZACILXFSX-CYBMUJFWSA-N 266.772 3.666 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)cc1 581415067 XQYGGLOHEQETGU-KCXAZCMYSA-N 297.402 3.798 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 829455998 MFCBIHMDRKDDHL-OAHLLOKOSA-N 292.382 3.585 30 20 CHED C=C(C)Cn1c(C)nnc1N1Cc2ccccc2[C@@H]1CC 909229586 OVONJVLEHWLPPV-INIZCTEOSA-N 282.391 3.634 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1scnc1CC 666416914 OWWUAHBPYHNLQS-UHFFFAOYSA-N 267.398 3.572 30 20 CHED CC(C)C#CC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 821805786 ILZFIHWLNRGXLH-CZUORRHYSA-N 285.387 3.553 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 902855409 ZAPGGAVCAGJGAF-JTQLQIEISA-N 290.354 3.670 30 20 CHED C#CCN(C(=O)NCC1(C)CCCC1)C1CCCCC1 731283299 ARJRMFSETZSOEJ-UHFFFAOYSA-N 276.424 3.544 30 20 CHED CC[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 903054337 WXMUKIOAKIBGMC-MOPGFXCFSA-N 292.382 3.992 30 20 CHED CC(C)(CC1CCCCCC1)NC(=O)c1cccc(C#N)n1 589618254 ZUUGUTLYBGQJNP-UHFFFAOYSA-N 299.418 3.822 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 499519023 PJFKSYQVDZVNAD-CBBWQLFWSA-N 285.387 3.707 30 20 CHED C=CCCNC(=O)N(C)[C@H](C)c1ccc(C)cc1C 661571934 BHFQSQFFNAGURU-CQSZACIVSA-N 260.381 3.582 30 20 CHED CC(C)(C)OC(=O)N1CCC[C@@H](CCSCCC#N)C1 496797458 HKCQKTLLUPROLY-ZDUSSCGKSA-N 298.452 3.670 30 20 CHED C[C@H](C(=O)OCCCOc1ccc(C#N)cc1)C(C)(C)C 734623538 TXEABBJAOMJNGG-CYBMUJFWSA-N 289.375 3.553 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1coc(C(C)(C)C)n1 905445870 VAPZNFOFJFHDHJ-NSHDSACASA-N 265.353 3.618 30 20 CHED Cc1cccc2c1C/C(=C\c1cccc(OCC#N)c1)C2=O 730149521 JIOFJLGEQCXECA-XNTDXEJSSA-N 289.334 3.720 30 20 CHED CC(C)c1cccc(O[C@H](C)C(=O)OCCCCC#N)c1 733866228 BCPWDOCRVPTBMO-CQSZACIVSA-N 289.375 3.814 30 20 CHED C=CCOC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 738811365 WANFJFKAUUPVKU-SNVBAGLBSA-N 272.266 3.613 30 20 CHED CCCCCCCOC(=O)CC1(O)CCCCC1 734196695 YKUVPYVHHAFEAX-UHFFFAOYSA-N 256.386 3.585 30 20 CHED N#CCCCCCC(=O)Nc1cnc(-c2ccccc2)nc1 588273992 LQEWJOGNADCKPN-UHFFFAOYSA-N 294.358 3.556 30 20 CHED C[C@H]1C[C@@H]1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739594823 RMSBKPXHGXFHCN-NHYWBVRUSA-N 296.395 3.559 30 20 CHED C[C@@H]1/C(=C\c2ccc(C3CCCC3)cc2)C(=O)c2ncnn21 905083449 DJJQWKQSWUZYGT-HMHNVIDESA-N 293.370 3.777 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(OC(F)F)cc2)C1 839044854 VQUALKZUVYMVBA-GWCFXTLKSA-N 295.285 3.527 30 20 CHED CCCCCCCCCNC(=O)N[C@@H]1CC12CCOCC2 836610778 KBPFKHOLQRVSHD-OAHLLOKOSA-N 296.455 3.605 30 20 CHED CC(C)N(C)C[C@H](C)Nc1ccc(C#N)cc1C(F)(F)F 583413518 GTVKAQDTFLNZMS-NSHDSACASA-N 299.340 3.718 30 20 CHED Cc1cc(C)c(NC(=O)[C@@H](C)ON=C2CCC2)c(Cl)c1 735490435 XFVWOUHEMIFLBM-LLVKDONJSA-N 294.782 3.840 30 20 CHED CC(C)CCCCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 838783882 KTEHJKZNGCLEKS-ZDUSSCGKSA-N 283.375 3.956 30 20 CHED Cc1ccc(CCC(=O)O[C@@H]2CCC[C@@H](C#N)C2)s1 839064894 YFOBZSNKJJXQET-CHWSQXEVSA-N 277.389 3.615 30 20 CHED Cc1cc(NN=Cc2ccc(OCC(C)C)cc2)nc(C)n1 730145851 SWMUKXHNHIPJGF-UHFFFAOYSA-N 298.390 3.574 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1oc2ccccc2c1C 915987255 BBOAEMCBVZVHCG-CMDGGOBGSA-N 280.327 3.977 30 20 CHED C=C(CNC(=O)c1ccc2c(c1)CCC2)c1ccccc1 672481160 LJRZZQZQQJGDQE-UHFFFAOYSA-N 277.367 3.619 30 20 CHED Cc1nc(C)c(C=NNc2ccccc2Cl)s1 736429306 UKYJHGMHOKVRNN-UHFFFAOYSA-N 265.769 3.859 30 20 CHED CCCNN=Cc1ccc(OCc2ccccc2)c(OC)c1 915965966 TVYAOWJTEFUQJW-UHFFFAOYSA-N 298.386 3.608 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)c1c(C)n[nH]c1C)c1ccccc1 910072254 OAMWORRMFCQNRP-WBMJQRKESA-N 297.402 3.564 30 20 CHED C=CCC[C@H](Nc1cccc(C(=O)O)n1)c1ccccc1 833373238 IRVREFPLATXVPU-AWEZNQCLSA-N 282.343 3.899 30 20 CHED CC(C)=CC(=O)N(CC(C)C)c1ccc(C#N)cc1 914510673 TUAMIGJEDQAILB-UHFFFAOYSA-N 256.349 3.513 30 20 CHED Cc1cccc([C@@H](C)NCCc2ccc(C#N)cc2)c1 594708845 CEGLZHDYEVLBOB-OAHLLOKOSA-N 264.372 3.760 30 20 CHED CC(C)N(C(=O)c1cccc(C#N)n1)[C@@H](C)c1ccsc1 591524195 NFAZYESZXMESIE-LBPRGKRZSA-N 299.399 3.627 30 20 CHED C=CCNC(=S)N[C@H](c1ccccc1)C1CCCCC1 916000504 FHRRLIQFLCUAJW-MRXNPFEDSA-N 288.460 3.958 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](CC1CCC1)c1ccccc1 593587458 GHUJQUZMPAGHSH-HOCLYGCPSA-N 270.376 3.584 30 20 CHED N#C[C@@H](C(=O)CCC(F)(F)F)c1ccc2ccccc2n1 744014948 COUMAWJJIQCDNY-LLVKDONJSA-N 292.260 3.754 30 20 CHED CC1(CNC(=O)N2CCC[C@@H](CC#N)C2)CCCCCC1 595585131 LPTKITLEKSTQMD-HNNXBMFYSA-N 291.439 3.682 30 20 CHED Cc1ccc(C(C)(C)CNCC(C)(C)CCC#N)nc1 598990904 KLPSNCZATYNZOB-UHFFFAOYSA-N 273.424 3.587 30 20 CHED Cn1cc(C=NN(c2ccccc2)c2ccccc2)cn1 917208482 CJDJUIWFKDLZRN-UHFFFAOYSA-N 276.343 3.592 30 20 CHED CC1=C(C(=O)N(CCC#N)c2ccc(C)cc2)CCC1 747390665 UNDBXJLXIKQOGG-UHFFFAOYSA-N 268.360 3.742 30 20 CHED C=C(CNC(=O)c1ccc(Cl)cc1)c1ccccc1 672482011 LMVACQOVTSQMEP-UHFFFAOYSA-N 271.747 3.783 30 20 CHED N#CC1(CC(=O)Nc2cc(F)cc(F)c2)CCCCC1 596693522 WOXDNRBZAILZNV-UHFFFAOYSA-N 278.302 3.767 30 20 CHED C=CC(C)(C)CNC(=S)Nc1cc(C)ccc1C 840795393 YSMCFMKBNPEYIS-UHFFFAOYSA-N 262.422 3.802 30 20 CHED CC(C)(C)CCCC(=O)Oc1cccc(OCC#N)c1 841345769 NURWUZMMRQNWLD-UHFFFAOYSA-N 275.348 3.711 30 20 CHED CCCCCCO[C@H](C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 841255883 POXHQUPVGWBANO-QLFBSQMISA-N 281.396 3.597 30 20 CHED C=C(Cl)COC(=O)c1ccccc1Oc1cccnc1 748552632 HRZLLULGKWFDMC-UHFFFAOYSA-N 289.718 3.783 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)N1CCC(CCC#N)CC1 591971043 RBZHVPSGTIBAIV-KBPBESRZSA-N 291.439 3.536 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@@H](C)c2ccccc2)n1 598857317 WIEYJDSJBKACHH-GFCCVEGCSA-N 293.370 3.702 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)Cc2ccc(F)cc21 749005045 ICAOUIAZJWGUIN-WZUFQYTHSA-N 273.694 3.697 30 20 CHED C=C(C)CNC(=S)N(CC(C)C)c1ccc(C)cc1 840823645 OHTSTJKXBXGBGQ-UHFFFAOYSA-N 276.449 3.908 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C 847681628 PWLQOHUASHZBOF-SMDDNHRTSA-N 290.407 3.657 30 20 CHED C#Cc1cccc(N(C(=S)NC2(C)CCC2)C(C)C)c1 840724906 KBWYELDSNWKLQV-UHFFFAOYSA-N 286.444 3.700 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1CC(F)(F)C1 847744589 UMCDPKYFJUGNID-KGYLQXTDSA-N 272.335 3.956 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1nc(Cl)c(C#N)s1 841225324 OBCUUZLYYYTSSO-QMMMGPOBSA-N 285.800 3.679 30 20 CHED CC1(C)C[C@H](O)c2cc(-c3ccc(C#N)cc3)ccc2O1 846780103 ALCRQCBBLDWPCT-INIZCTEOSA-N 279.339 3.820 30 20 CHED C=CC[C@H](NC(=O)N1CC(C)(C)C[C@H]1C)c1ccncc1 840299824 GWGFQZKJMAKZDU-HIFRSBDPSA-N 287.407 3.529 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCC[C@@H](CC)C2)c1 741056623 IDKOQOXTEJXHBV-ZBFHGGJFSA-N 270.376 3.758 30 20 CHED CN(C(=O)C1CC1)c1ccc(NCC(C)(C)CCC#N)cc1 922565569 QFGDOXNLKWVLHX-UHFFFAOYSA-N 299.418 3.801 30 20 CHED N#C[C@@H](C(=O)C1CC2(CCC2)C1)c1nc(C2CC2)cs1 842942259 IBKUEBOUDPWBMP-LBPRGKRZSA-N 286.400 3.777 30 20 CHED CC1(C)C(=NNc2cccc(Cl)c2)[C@@H]2CCCO[C@H]21 743420303 BVNQELAHOXZWOU-GXTWGEPZSA-N 278.783 3.943 30 20 CHED CCc1ccc([C@H](NCC(C)(C)C#N)c2cccnc2)cc1 926875199 WKLKWRVEPKGQSC-SFHVURJKSA-N 293.414 3.873 30 20 CHED Cc1ccc(C(=O)O[C@@H](C#N)C2CC2)c2ccccc12 842314924 HNTJISXLQZXYLR-INIZCTEOSA-N 265.312 3.607 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](CC)c1ccc(Cl)cc1 844285527 VQGFYIZFIXOOPC-GXFFZTMASA-N 282.771 3.596 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC=C(c2ccc(C)cc2)CC1 921146579 BKDATCFZZZMTKV-INIZCTEOSA-N 299.414 3.592 30 20 CHED CC(C)(C#N)C[C@H](O)CNC(C1CCCC1)C1CCCC1 856734369 RSOXOVWEPSRLFB-INIZCTEOSA-N 292.467 3.626 30 20 CHED N#CC[C@H]1CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 853761832 XVMGSIVMXKWNCD-SECBINFHSA-N 297.717 3.517 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N(C)Cc1ccc(C#N)cc1 929948365 PDEGMAXYXXTKSC-HNNXBMFYSA-N 292.382 3.629 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](CC#N)C1 853761516 STSPNYQLQVWNLL-NSHDSACASA-N 293.754 3.687 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC[C@@H]1C(C)C 685548511 GCDUHJDQASZARU-OAHLLOKOSA-N 288.439 3.747 30 20 CHED c1ccc2c(c1)CC[C@@H]2CCON=C1CCCOCC1 853685039 ASLNGGVMIFXXPU-OAHLLOKOSA-N 273.376 3.680 30 20 CHED C[C@H](OC(=O)/C=C1/CC[C@@H](C)C1)c1cccc(C#N)c1 753808004 XJGYVBJLPTTYCV-IJEMZBSNSA-N 269.344 3.909 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1cc(C)ccc1C 756842379 OYFKWJPJKNIDBW-UHFFFAOYSA-N 273.767 3.610 30 20 CHED CCC(=NNc1cc(F)cc(Cl)c1)[C@@H]1CCOC1 853396873 RNUVQSBGJIKEKE-SECBINFHSA-N 270.735 3.694 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccc(F)cc1F)C2=O 920067370 XANOTHHTTLRGHW-KPKJPENVSA-N 286.277 3.932 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C\c2ccc3[nH]ccc3c2)C1 855438309 FJDBHXOYUDPVNK-GQSKFBFOSA-N 294.398 3.996 30 20 CHED CC[C@H](NCCc1cccs1)c1cccc(C#N)c1O 924555087 VDVFFQSWLXDOPF-HNNXBMFYSA-N 286.400 3.609 30 20 CHED Clc1cnc(NN=C(Cc2ccccc2)C2CC2)nc1 857223348 ONAPRXXGXAGDHO-UHFFFAOYSA-N 286.766 3.551 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cncc2ccccc12 925954921 RHEWYRMEHQMZMV-LBPRGKRZSA-N 253.349 3.975 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)cc2O)c(OC)c1 757474482 BSIUOZJRCMYBAK-RMKNXTFCSA-N 298.338 3.614 30 20 CHED Cc1nn(Cc2ccccc2)c(C)c1C=NOCC(C)C 754296868 XFVWUPQILDHCJK-UHFFFAOYSA-N 285.391 3.555 30 20 CHED COc1cc(Cl)cc(C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851206589 VBGMJEDSMIWDCA-JTQLQIEISA-N 295.766 3.834 30 20 CHED FC(F)(F)c1ccc(NN=CC2CCCCCC2)nn1 754708726 GKBDJJWORJHRBS-UHFFFAOYSA-N 286.301 3.864 30 20 CHED Cc1nc(CC(C)C)c(C(=O)OCC2(CC#N)CC2)s1 756296877 LXXQUEYWFPJILF-UHFFFAOYSA-N 292.404 3.501 30 20 CHED C=C(C)CNC(=S)Nc1cc(Cl)c(F)c(Cl)c1 754857231 KIEJOAGDLXVFHZ-UHFFFAOYSA-N 293.194 3.995 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccc(C)cc1)c1ccccc1 756921227 HEKFQRLQKQOJTL-QGZVFWFLSA-N 278.355 3.881 30 20 CHED C#CCN(C(=O)c1ccc2scnc2c1)C1CCCCC1 930958470 DOPUAADGYWBTRA-UHFFFAOYSA-N 298.411 3.704 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2cccc([N+](=O)[O-])c2)C1 768357475 LBAZOFIDJVBLBR-VXGBXAGGSA-N 261.325 3.819 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(F)ccc2OC)c1 768269809 QSQHMKRKUFFBDD-UHFFFAOYSA-N 289.306 3.689 30 20 CHED C#CCCOc1cc(NC(=O)OC(C)(C)C)ccc1C 769561689 DBZVGDDRAQGJJB-UHFFFAOYSA-N 275.348 3.744 30 20 CHED CC#CC(=O)Nc1ccc(F)cc1Nc1ccccc1F 764662571 BAGLBMNUYGTABI-UHFFFAOYSA-N 286.281 3.670 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)CC1CCCC1 767152858 WZZOJOKAIGBMLA-LBPRGKRZSA-N 289.341 3.617 30 20 CHED C#CCCCN1CCC[C@H]1c1cccc(Br)c1 766896235 YGQHURZPXVNYDY-HNNXBMFYSA-N 292.220 3.999 30 20 CHED C=C[C@H](CC)CC(=O)N(CCC)Cc1ccccc1O 934707118 XSHCIUBGZXGIDP-CQSZACIVSA-N 275.392 3.733 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc2c(c1)COC2 768649453 RLXOKSOGHZFZBS-UHFFFAOYSA-N 287.359 3.594 30 20 CHED Fc1cccc(Cl)c1NN=Cc1cccs1 769827059 MSBGMGFMRNZDAB-UHFFFAOYSA-N 254.717 3.987 30 20 CHED Cc1cccc(NN=Cc2cnc(C3CCC3)s2)n1 863160100 QVCLWBWIDJXDAA-UHFFFAOYSA-N 272.377 3.560 30 20 CHED Cc1sc(/C=C/c2cc(C#N)cs2)cc1C=O 760266673 YABWEENFZLJEBN-NSCUHMNNSA-N 259.355 3.973 30 20 CHED Cc1ccc(C=NNc2nccnc2Cl)cc1Cl 766451180 OBIGRIKLKLLSCJ-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CC(C)(NC(=O)CCc1ccc(C#N)cc1)C1CCCCC1 1115970448 UDBQPECXKVTLLG-UHFFFAOYSA-N 298.430 3.966 30 20 CHED Cc1cc(F)ccc1C(=O)O[C@H](C#N)C1CCCCC1 776396758 SRBNXPOSGWKNPB-OAHLLOKOSA-N 275.323 3.763 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC/C=C/C1CC1 1117751286 PHDYXJAKVRFSRM-WHLIDYPQSA-N 266.388 3.882 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 776155896 JFERJZUYWZTDOY-KBXCAEBGSA-N 277.371 3.921 30 20 CHED Cc1c(C#N)cccc1-c1nc([C@@H]2CCOC(C)(C)C2)no1 1117831319 MMBTXIXMTRPJSN-GFCCVEGCSA-N 297.358 3.589 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)Oc2cc(F)ccc21 773173400 QVQOTQSYMIRNDJ-NSIKDUERSA-N 276.213 3.720 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1cccc2cc[nH]c12 772729078 DAVLLKAKRZEWKO-CMDGGOBGSA-N 287.322 3.691 30 20 CHED CCCC=NNc1ccc([N+](=O)[O-])cc1Br 777449741 CZNJOSNHWCEBSC-UHFFFAOYSA-N 286.129 3.555 30 20 CHED COc1ccc(CCC=NNc2ccc(F)cn2)c(C)c1 777437497 PLDOBZUUWDCRGB-UHFFFAOYSA-N 287.338 3.568 30 20 CHED N#Cc1ccc(/C=C2\CCc3c(O)cccc3C2=O)c(F)c1 772808104 UDTGVJFSPJIZKX-UKTHLTGXSA-N 293.297 3.615 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(F)c(O)c(F)c1 776190332 RRYMIHGMDVPYHU-ARJAWSKDSA-N 289.281 3.524 30 20 CHED CCCCCCCCNC(=O)[C@H]1CCO[C@@H](CC)C1 779944093 ZYLOMKCCKSQVRG-GJZGRUSLSA-N 269.429 3.668 30 20 CHED C#CCCCC(=O)N(c1cc(C)ccc1C)C1CCOCC1 876044868 MPXKGWNIOMMFPY-UHFFFAOYSA-N 299.414 3.619 30 20 CHED C=C(C)CCN[C@H](C)c1cnn(-c2ccccc2)c1C 775666197 ANWUHMISGFEROZ-CQSZACIVSA-N 269.392 3.798 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(C2CCOCC2)cs1 879966217 HKAXYWREPABSMV-UHFFFAOYSA-N 294.420 3.578 30 20 CHED Cc1cccc2c1N(Cc1ccc(O[C@H](C)C#N)cc1)CC2 775971216 GZDIAPWKCRUCAX-OAHLLOKOSA-N 292.382 3.849 30 20 CHED C#C[C@H](C)NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 775375439 PETRUPUHVFCYER-ZDUSSCGKSA-N 289.806 3.680 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cn1 889230368 WWWFTQBTTYGSQA-CQSZACIVSA-N 286.379 3.530 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccc([N+](=O)[O-])o2)cc1 779825589 ZRRQCGAUIWZQNR-UHFFFAOYSA-N 287.319 3.931 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H](C)c1cccs1 1129071040 IECCRGZHIFDPNM-JTQLQIEISA-N 298.367 3.565 30 20 CHED CC(C)(C)OC(=O)C1CCC(=NOC2CCCC2)CC1 774603081 KXCIPQGXJZIHRZ-UHFFFAOYSA-N 281.396 3.834 30 20 CHED CCC(C[C@@H](C)CC)=NNc1cccc(S(C)(=O)=O)c1 776261946 YPOZLRFSMUJSLP-LBPRGKRZSA-N 296.436 3.704 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cscn2)cc1 776194114 XYHLIJXUFUVAMK-YVMONPNESA-N 273.357 3.828 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)CCCc1ccccc1 775750248 QIMMBSDGRXXGHS-GFCCVEGCSA-N 265.784 3.514 30 20 CHED C=CCN(C(=O)c1ccc(N(CC)CC)cc1)C(C)C 777390127 BMELYCLVYTVQGN-UHFFFAOYSA-N 274.408 3.569 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1cncc(F)c1 776786513 WTWLJAJWVONDRP-UHFFFAOYSA-N 294.333 3.913 30 20 CHED CC(C[C@H](C)CC(C)C)=NNC(=S)Nc1cccnc1 779760437 XEUZLTBPGBOIGH-GFCCVEGCSA-N 292.452 3.816 30 20 CHED Cc1cc(C=NNc2ncc(Cl)cc2Cl)sn1 785449957 TVVQAGYXXCOKKS-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C#CCC1(C(=O)OC/C(Cl)=C\Cl)CCCCC1 788216471 VDMPPBVSIJZFMM-PKNBQFBNSA-N 275.175 3.822 30 20 CHED C=C1CCC(C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1 887834107 DEEFDPUOMMRINP-UHFFFAOYSA-N 298.390 3.697 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(C(F)(F)F)n1 785933054 MGVGGKGBNHXFCO-JTQLQIEISA-N 299.296 3.673 30 20 CHED Clc1ccc2c(c1)C(=NOC[C@@H]1CCOC1)CCCC2 788034412 SAHOAVNKQXVULV-GFCCVEGCSA-N 293.794 3.824 30 20 CHED C[C@@H](C(=O)OCCCC(C)(C)C#N)c1c(F)cccc1F 784443495 DZIKAQBWTFNMSH-LLVKDONJSA-N 295.329 3.941 30 20 CHED C=CCNC(=S)Nc1ccc(Oc2ccncc2)c(C)c1 782428029 SELUCSVCERRHJI-UHFFFAOYSA-N 299.399 3.655 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCC[C@@H](SC)C2)CCCCC1 788223355 COHSBEJROUULIM-HUUCEWRRSA-N 293.476 3.751 30 20 CHED C[C@H](c1ccccc1)N1CCN(CC(C)(C)CCC#N)CC1 895550196 BKMSSUSQRDTYBE-QGZVFWFLSA-N 299.462 3.695 30 20 CHED C=CCCCCCNc1ccc(F)cc1C(=O)N(C)OC 789680607 APLDXPXLYMCARP-UHFFFAOYSA-N 294.370 3.617 30 20 CHED Cc1nc(Cl)cc(NN=C2CC[C@H](C)C[C@@H]2C)n1 783850148 QABHCQSQABJUPA-IUCAKERBSA-N 266.776 3.662 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCC[C@H](C)C2)CCCCC1 788156705 FWOZHQDFTCUITH-LSDHHAIUSA-N 261.409 3.655 30 20 CHED Cc1ccc(C(=O)Nc2sccc2C#N)cc1Cl 102975920 LUPWVNKXZZJVPB-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 76067576 XKHCUNFYWGIJDY-HUUCEWRRSA-N 292.423 3.803 30 20 CHED CCCCCCC[S@](=O)Cc1cc(C)cc(C)n1 899439309 BJRMSHOBJRCGOB-SFHVURJKSA-N 267.438 3.918 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc(Cl)cc1 785769281 PJNITRABMWKHJV-HNNXBMFYSA-N 280.751 3.668 30 20 CHED CSc1cc(F)ccc1NC(=O)c1cc(C#N)cs1 1130291205 YDXQOZNEDOJAAC-UHFFFAOYSA-N 292.360 3.733 30 20 CHED O=C(/C=C/c1ccsc1Cl)c1cc(O)cc(O)c1 790225240 MTVFZVDRNLFWCD-OWOJBTEDSA-N 280.732 3.709 30 20 CHED Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1C#N 799299891 QAUICZKAHQSWDI-GOSISDBHSA-N 290.366 3.748 30 20 CHED CCCNc1ccc(C#N)cc1NCCC(F)(F)F 795267205 VWGWNMFQTMCDKH-UHFFFAOYSA-N 271.286 3.744 30 20 CHED C=CCC1(C(=O)N2CCc3cc(C)ccc32)CCC1 790852920 WOTRHXHKSUGKJS-UHFFFAOYSA-N 255.361 3.631 30 20 CHED Cc1ccnc(N[C@@H]2CCSc3ccccc32)c1C#N 273042508 PIJOLXXUKLNNAR-CQSZACIVSA-N 281.384 3.911 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccc(OC(F)F)cc1 799877844 GZHOHAVHRYMRKT-NSHDSACASA-N 298.333 3.893 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 398153334 SWIVQTKADCWHEC-JTQLQIEISA-N 296.754 3.723 30 20 CHED CCc1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)cc1 1132686191 CVWJHFCAMYIHHC-UHFFFAOYSA-N 286.281 3.651 30 20 CHED COCCN(C)N=C(Cc1cccc(Cl)c1)CC(C)C 794966613 UYGMYIWDTKIYLE-UHFFFAOYSA-N 296.842 3.863 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)COc2cc(F)ccc21 794727946 LGJMKPFNEJOYFA-XCVCLJGOSA-N 290.240 3.763 30 20 CHED CCCCCCCCN1CC[C@@H](CN(C)CC)C1 744423868 PKTRBWKAVYSYQF-INIZCTEOSA-N 254.462 3.621 30 20 CHED CC(=NNc1ccccc1)c1ccnn1-c1ccccc1 799104780 FRFNHWIJJBEOFR-UHFFFAOYSA-N 276.343 3.708 30 20 CHED C#CCOc1ccccc1CNC1CCC(C(F)F)CC1 799720053 IDWHQHLHWHEDSN-UHFFFAOYSA-N 293.357 3.612 30 20 CHED COC(=O)c1cc(NN=C(C(C)C)C2CC2)ccc1C 793098992 XXARVGKECOWBTL-UHFFFAOYSA-N 274.364 3.616 30 20 CHED C[C@]1(C=NNc2nc(C(F)(F)F)cs2)CCCS1 793027779 SECUUAIVKSFUMH-SECBINFHSA-N 295.355 3.845 30 20 CHED CCCCCCCCCN(C)Cc1nnc(C)o1 193803479 RKRPIGKNHMZXQQ-UHFFFAOYSA-N 253.390 3.560 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)COc2cc(F)ccc21 794728419 PMBFCXAGUHTJIS-YHYXMXQVSA-N 289.693 3.533 30 20 CHED CC(=NNc1ncncc1F)C12CC3CC(CC(C3)C1)C2 793224905 BJQJHSWRWBRCMO-UHFFFAOYSA-N 288.370 3.620 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cc(C)oc1C 793161663 KNURBDZGWWTQMS-UHFFFAOYSA-N 263.728 3.781 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1cccc2ccccc12 593388095 AKHAVWMCPBDTJF-CHWSQXEVSA-N 266.344 3.567 30 20 CHED C#CCCCCNC(=O)c1csc2cc(C)ccc12 795173864 FFZRENBFTHCZPD-UHFFFAOYSA-N 271.385 3.743 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cccc(C#N)c2)c(O)c1 799894664 AZXSYHJCBGHXEK-VOTSOKGWSA-N 277.323 3.777 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC23CCC(CC2)C3)n1 767204097 MNWKLIHXSIGTPM-UHFFFAOYSA-N 269.392 3.995 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cccc(F)c1 88154153 CWULZPZNSHRFTL-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC[C@@H](CC#N)NCc1ccc(OC)c2ccccc12 94692410 KBRSADPAMWBBFN-AWEZNQCLSA-N 268.360 3.630 30 20 CHED CCOc1ccc(CNc2ccc(F)cc2C#N)cc1 97635494 LRCPFCSQDKJXEC-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CCCN(CC1(CC#N)CC1)[C@@H]1CCc2ccccc2C1 1307429698 VXUKYMDVLMLTJN-GOSISDBHSA-N 282.431 3.950 30 20 CHED CN(C)c1cccc(Cl)c1C=NNc1ccccc1 1319823599 FXOQJOCZTXPKSL-UHFFFAOYSA-N 273.767 3.852 30 20 CHED C=CCN(C(=O)C(F)(F)c1ccc(Cl)cc1)C(C)C 1317866892 PNQSVWGTUFOTCU-UHFFFAOYSA-N 287.737 3.855 30 20 CHED CCN(CCOc1ccccc1C#N)Cc1ccccc1F 1322122000 UWZBFLYSWOKVJG-UHFFFAOYSA-N 298.361 3.598 30 20 CHED CN(C)c1cccc(Cl)c1C=NOC/C=C\Cl 1327588654 ZYSGVLQWPFRJIN-OPXLJTMYSA-N 273.163 3.509 30 20 CHED C=C(Br)CNc1cc(C2CC2)nc(C2CC2)n1 1185108414 ZBWWWLHTWYLEKE-UHFFFAOYSA-N 294.196 3.552 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 1320604455 YRYCWALPBPTQBO-RHSMWYFYSA-N 289.423 3.560 30 20 CHED C#Cc1cccc(NC(=S)N2CC[C@@H]3CCCC[C@H]3C2)c1 1251489925 ZSLNEWMDZBCADX-HOTGVXAUSA-N 298.455 3.877 30 20 CHED Cc1ccsc1CCCC(=O)N[C@H](C#N)C1CCCC1 1331979869 UDUYFPVAHCPGCM-CQSZACIVSA-N 290.432 3.578 30 20 CHED Cc1ccc(C(=O)COC(=O)CC2(C#N)CCCCC2)cc1 1261597997 MSBXVXKORYFBIT-UHFFFAOYSA-N 299.370 3.585 30 20 CHED Cc1cc([C@@H](C)Nc2cccc(CC#N)n2)c(C)s1 1338233717 RJVDZSPFOROHBW-LLVKDONJSA-N 271.389 3.999 30 20 CHED CCO[C@H]1C[C@@H](NCCC2(C#N)CCCCC2)C12CCC2 1194447706 XHHZYEQOVPMQCH-CVEARBPZSA-N 290.451 3.788 30 20 CHED C[C@H](c1nnc(-c2cccc(C#N)c2)o1)C1CCC1 1349987478 YJLBZZKPFIIGEL-JTQLQIEISA-N 253.305 3.512 30 20 CHED C#CC[C@H](NC(=O)N(CC1CC1)C(C)C)c1ccccc1 1343040168 SQONEUHCKVXTRT-KRWDZBQOSA-N 284.403 3.581 30 20 CHED C=C(C)CCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 1262735003 OXLDCFURYASYBH-INIZCTEOSA-N 285.391 3.733 30 20 CHED Cc1cc(-n2ccnc2)ccc1CSCCCC#N 1343547559 LQSWMHPALQAUSB-UHFFFAOYSA-N 271.389 3.718 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N(C)c1ccc(C#N)cc1F 1358165916 INHOGEKPGWGMED-ZDUSSCGKSA-N 296.345 3.772 30 20 CHED C[C@H](C(=O)N(C)c1ccc(C#N)c(Cl)c1)c1ccco1 1438273355 XQJFCNQNIVOQBI-JTQLQIEISA-N 288.734 3.571 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc2ccn(C)c2c1 1435923948 XBBIBRIHPMSONY-UHFFFAOYSA-N 289.338 3.611 30 20 CHED CC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)c1ccc(F)cc1 1435647512 IFMZDRRXNMTNEQ-QGZVFWFLSA-N 296.345 3.887 30 20 CHED CC(C)Oc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1 1354134366 QUJCQDWAQFHLDH-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CC1(C)CCC[C@H]1C(=O)O[C@@H](CC#N)c1ccco1 1526993014 PBNKYCMXGRQBRI-AAEUAGOBSA-N 261.321 3.604 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccsc1C#N 1527387297 JVOXLPDAPBGEHZ-VXGBXAGGSA-N 276.405 3.566 30 20 CHED COC(=O)c1ccc(CSc2ccc(C#N)c(C)c2)o1 1459140961 INXOCAFGKOBTKO-UHFFFAOYSA-N 287.340 3.539 30 20 CHED Cc1cc(C)c(C(=O)O)cc1NCCCC(C)(C)C#N 1607617791 MDVCQMIJQNBOME-UHFFFAOYSA-N 274.364 3.744 30 20 CHED C=C[C@@H](CC(=O)O[C@H](C)CCCOC)c1ccccc1 1520005059 KHHUBOCASQBCQV-CABCVRRESA-N 276.376 3.705 30 20 CHED Cc1ccccc1C1(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1535146588 XJZZJAWLSVFTRE-UHFFFAOYSA-N 294.329 3.676 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)cc1F)C[C@@H](C)O2 1462048891 JYWRJERRJGSVRH-CYBMUJFWSA-N 296.345 3.793 30 20 CHED N#Cc1ccc(NC(=O)Cc2cccc(F)c2)c(Cl)c1 225783827 WGLOZYSXXUSRQU-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1nc(C(F)(F)F)cs1 925120204 XBGCGMLPWYIVSW-MRVPVSSYSA-N 291.342 3.580 30 20 CHED CC1(C)CCc2ccccc2[C@H](Nc2cncc(C#N)n2)C1 1612291740 SCGOJKOOMLKWQA-MRXNPFEDSA-N 292.386 3.864 30 20 CHED CC[C@@H](C)[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)OC 1621198534 IXNUULKAXIGVSR-KDOFPFPSSA-N 286.419 3.584 30 20 CHED CC(C)C(C)(C)CNC(=O)[C@H](C#N)CCc1ccccc1 1556239190 KYBFCVYRRLLQGC-INIZCTEOSA-N 286.419 3.557 30 20 CHED Cc1ccc2c(c1)CCN2[C@@H](C)c1cccc(C#N)c1 1559809283 SPGUHSOEGUQSIX-AWEZNQCLSA-N 262.356 3.990 30 20 CHED C=C(C)CNCc1cnc(-c2cccs2)s1 119664702 VLHYJBSFPHXDOU-UHFFFAOYSA-N 250.392 3.537 30 20 CHED Cc1csc(NC(=O)NC(C(C)C)C(C)C)c1C#N 1562766821 RFPVKQRFBDAUIK-UHFFFAOYSA-N 279.409 3.730 30 20 CHED CC(C)c1ccc(C[C@@H](C)Nc2cncc(C#N)n2)cc1 1639656263 UJYXNIZTTZMDHO-CYBMUJFWSA-N 280.375 3.515 30 20 CHED CC[C@@H](Cc1ccccc1)N(CC)Cc1cccc(C#N)n1 1560662365 XHOHZZFEOUYVQA-IBGZPJMESA-N 293.414 3.796 30 20 CHED CC(C)C(CNCc1cccc(OCC#N)c1)C(C)C 229531339 LLUOZEUNYJJWTF-UHFFFAOYSA-N 274.408 3.607 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(F)c(C#N)c1)C[C@H](C)O2 1652665994 VDIFPZRWUQIHBE-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED C=C(Cn1c(C)nnc1N1CC[C@@H](CC)C1)c1ccccc1 1749242797 SMFHHVQLSPNPTM-MRXNPFEDSA-N 296.418 3.536 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@H]2CCCc3ccccc32)c1 1596854872 AZKPANNXDOKHTI-KRWDZBQOSA-N 294.329 3.756 30 20 CHED CS[C@H]1CC[C@H](Nc2nc3c(cc2C#N)CCCC3)C1 231630233 NOWJZTPYKQJZFL-KBPBESRZSA-N 287.432 3.528 30 20 CHED N#CCc1cccc(NC(=O)NCc2cccc(Cl)c2)c1 1677653801 AJCBBGBSHVFPPE-UHFFFAOYSA-N 299.761 3.728 30 20 CHED C=C(CNC(=O)N1CC[C@@H](CC)[C@@H]1C)c1ccccc1 1681773714 AGIHMEHFEMEJNV-LSDHHAIUSA-N 272.392 3.530 30 20 CHED C=CCCCCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)O 1776173534 YJMLDPBLVOFSIK-UHFFFAOYSA-N 292.335 3.760 30 20 CHED C=C(Cl)CNC(=O)NC[C@H]1CCCC[C@H]1CCC 1682002279 ZOHDLRRPHGGPFU-CHWSQXEVSA-N 272.820 3.645 30 20 CHED CC(C)[C@@H]1CCC(=NNc2cccc(C(=O)O)c2)C1 1776037257 PHFZZCMRCCEMIE-LLVKDONJSA-N 260.337 3.609 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 161273362 YGPKVLMZGXSHKG-CHWSQXEVSA-N 283.293 3.501 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1cccc(C#N)c1 206976370 RSESUBRRNUSAFN-FPLPWBNLSA-N 277.323 3.771 30 20 CHED CCCN(C(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 160542053 GVDQEWXBVSOZPX-MRXNPFEDSA-N 285.391 3.615 30 20 CHED N#Cc1ccc(N2C[C@H]3CCC[C@@H]3C2)c(Br)c1 168567173 IUPKXIJYBMHZHV-VXGBXAGGSA-N 291.192 3.557 30 20 CHED CCn1nccc1/C=C/C(=O)c1cc2c(s1)CCCC2 152672595 BWLGJPDLUAUQGI-BQYQJAHWSA-N 286.400 3.739 30 20 CHED C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1 153058863 ZCXKBRWWWAXUCN-SNVBAGLBSA-N 292.329 3.535 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(F)cc(Cl)c1 153153261 KPEMEGMIKZYXAO-MRVPVSSYSA-N 256.708 3.565 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(CC)o1 155536963 YGFKDJQICAOXDK-INIZCTEOSA-N 282.343 3.595 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(SC)c(Cl)c1 156158790 UHTVRQIBVNVVNM-SECBINFHSA-N 297.811 3.876 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(Cl)cc1Cl 155435698 BLQVFRPOZRCRMS-SECBINFHSA-N 286.162 3.807 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 154298666 YOZPCRACYMXSHQ-ZWNOBZJWSA-N 276.767 3.520 30 20 CHED N#C[C@H](Cc1ccccc1)C(=O)CC1CCCCC1 261508778 WVPNNXRHPSMBNV-INIZCTEOSA-N 255.361 3.908 30 20 CHED N#Cc1cc(NCCCOCC(F)(F)F)ccc1Cl 175648264 GQUHALQTPSAZTB-UHFFFAOYSA-N 292.688 3.593 30 20 CHED N#Cc1ccc(NCc2cccc3ccccc23)nc1 50197825 PILXVJVYRSGOHF-UHFFFAOYSA-N 259.312 3.719 30 20 CHED CC[C@@H](CC#N)NC(=O)c1sc2cccc(F)c2c1C 183870827 ZPAJNIGDYWOKPF-JTQLQIEISA-N 290.363 3.771 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(C#N)c(F)c1 308110831 JXMZOCMLLVOXPQ-NSHDSACASA-N 262.328 3.852 30 20 CHED N#Cc1ccc(OCCc2c(F)cccc2F)c(F)c1 402968139 ZDLKCFQOFYOCRZ-UHFFFAOYSA-N 277.245 3.597 30 20 CHED Cc1ccc(C#N)cc1OCCCOCc1ccccc1 309876839 WOTJNRSSEBSVGT-UHFFFAOYSA-N 281.355 3.852 30 20 CHED CC(C)SCCNc1nc2ccccc2cc1C#N 311644876 SFKWCNSXMBXAJD-UHFFFAOYSA-N 271.389 3.660 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)c1ncc(C#N)cc1Cl 513634441 AYJUPIQHDCBEMG-GWCFXTLKSA-N 263.772 3.622 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)C2(C#N)CCC2)CC1 408304529 YWBDRUXPBVDTJK-ZIAGYGMSSA-N 276.424 3.791 30 20 CHED C=C(CC)CN[C@@H](C)c1cccc(OC(F)F)c1 313503604 UXWPIQJBIJHJSJ-NSHDSACASA-N 255.308 3.905 30 20 CHED CCc1nc(CN(C)c2ccc(C#N)c(Cl)c2)cs1 328481991 PZNDNJPYQZXDOU-UHFFFAOYSA-N 291.807 3.867 30 20 CHED CC[C@@H](Nc1cccc(OCCCC#N)c1)C1CC1 86119334 ZNFNVZPTYPFIRU-MRXNPFEDSA-N 258.365 3.970 30 20 CHED FC(F)C(F)(F)CNCc1cscc1C(F)(F)F 356386729 GCNFTOFUYASTSR-UHFFFAOYSA-N 295.223 3.757 30 20 CHED N#Cc1ccnc(NCc2c(Cl)cccc2Cl)c1 573349245 JEJRHJOSYUGBAH-UHFFFAOYSA-N 278.142 3.872 30 20 CHED CCCCCCC[C@H](C)NC[C@](C)(O)C(F)(F)F 705022341 TWMZDBJGEMEILO-RYUDHWBXSA-N 269.351 3.638 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCC(OCC)OCC 692239074 IXCWYLSAMOLUCV-GJZGRUSLSA-N 269.429 3.500 30 20 CHED CCCCCCC[C@H](C)NCC1([S@@](C)=O)CCC1 393697610 CHOFDBRAGAWNSK-KBXCAEBGSA-N 273.486 3.626 30 20 CHED C=CC1CCN(Cc2nc3c(F)cccc3n2CC)CC1 111257926 NSTULCRGHQDTCQ-UHFFFAOYSA-N 287.382 3.593 30 20 CHED C=CCCCSCC(=O)N[C@@H](C)c1ccccc1 117944836 JRNLALOIFXMUEO-ZDUSSCGKSA-N 263.406 3.563 30 20 CHED C=CCCCC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 175489695 HHGHNHREELJLQB-UHFFFAOYSA-N 298.342 3.827 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)CC1=CCCCC1 110843616 RBBFZGFRZJJBBS-LJQANCHMSA-N 296.414 3.908 30 20 CHED N#Cc1ccc(Cl)cc1NCCc1ccc(Cl)nc1 301623877 AFBDZZFXUMUHOY-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C[C@@H]1CCC[C@@H](C)N(c2ccc(Cl)c(C#N)n2)C1 301588433 PVRYYSBIUYTXHV-GHMZBOCLSA-N 263.772 3.622 30 20 CHED Cc1cc([C@@H](C)Nc2c(C#N)cccc2C#N)c(C)o1 302460156 RGQVDSPHKGNXHN-LLVKDONJSA-N 265.316 3.813 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC(C#N)CC1 115351187 UWFHUALTTGLAPA-KRWDZBQOSA-N 290.451 3.991 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)c1nc2ccccc2[nH]1 301375835 RHPCZPJRWZDYQD-SNVBAGLBSA-N 280.306 3.747 30 20 CHED C[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 171768524 GEGMCAVMTIHCBI-IEBDPFPHSA-N 297.185 3.515 30 20 CHED Cc1ccccc1C[C@@H](C)NCc1cccc(OCC#N)c1 119739699 SJXRNXPXHDAYOK-MRXNPFEDSA-N 294.398 3.618 30 20 CHED COc1cccc([C@H]2CCCN2C[C@@H](C)CCC#N)c1 1262006972 NVLZWOSOLUMSKW-WMLDXEAASA-N 272.392 3.772 30 20 CHED C[C@H](NCC1(c2ccccc2)CC1)c1ccc(C#N)cc1 173848394 HUHFJXJNPIMLDN-HNNXBMFYSA-N 276.383 3.941 30 20 CHED CC1(C)C[C@@H](Nc2ccc3cc(C#N)ccc3n2)C(C)(C)O1 302012381 AXMJVIMDPJRDGG-OAHLLOKOSA-N 295.386 3.864 30 20 CHED N#Cc1ccc(N2CC=C(c3c(F)cccc3F)CC2)nc1 302288579 WFKCSSUKHBQXAJ-UHFFFAOYSA-N 297.308 3.525 30 20 CHED C=CCNC(=O)N(Cc1cccs1)Cc1cccs1 113368172 UJTIFIHBPFDDNH-UHFFFAOYSA-N 292.429 3.707 30 20 CHED C=CCN(Cc1cnc(C(C)(C)C)s1)C1CC1 350223983 NDOANZJYBUNIHH-UHFFFAOYSA-N 250.411 3.591 30 20 CHED Cc1c(C#N)cccc1NCc1cn2cc(Cl)ccc2n1 179057162 LDWQZNVAWMARPH-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=CCCCC(=O)N[C@H](CC)c1ccc(OC)cc1 175121455 SAWCCXJRAVMGAM-OAHLLOKOSA-N 261.365 3.619 30 20 CHED C=CC1CCN(c2cc(C(F)(F)F)ccn2)CC1 301511793 KQYJVWGJRYRAGV-UHFFFAOYSA-N 256.271 3.503 30 20 CHED CCCCCC[C@H](C)C(=O)N(CC#N)C1CCCC1 173109635 QAIGLCODFGEDKV-AWEZNQCLSA-N 264.413 3.888 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccc(Cl)nc1 179412278 RIUJWDHXBJTWMX-HNQUOIGGSA-N 279.673 3.909 30 20 CHED C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@H](C)C1 409729331 JRXNSRHWGKUCRX-WDEREUQCSA-N 297.324 3.844 30 20 CHED C=CCCCC(=O)Nc1ccc(OC(C)C)c(C#N)c1 178662618 UBEKXLZYBUFBHM-UHFFFAOYSA-N 272.348 3.640 30 20 CHED C=CCCCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 175986471 KDAGGUYSVKBDNI-UHFFFAOYSA-N 262.309 3.506 30 20 CHED CC(C)CSCC(=O)Nc1ccccc1SCC#N 69050385 WWENXZZOTJNRNV-UHFFFAOYSA-N 294.445 3.630 30 20 CHED COc1cccc2c1CC[C@@H]2Nc1cccc(F)c1C#N 301613623 AGHSPRRJOSOBKG-INIZCTEOSA-N 282.318 3.805 30 20 CHED CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 185547703 CNKNRXPUEGUREW-HUUCEWRRSA-N 270.376 3.718 30 20 CHED C=CCN(CC=C)Cc1ccc(-n2nc(C)cc2C)cc1 216426778 PNAZKKOZFKJUGC-UHFFFAOYSA-N 281.403 3.663 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc3c1OCO3)C2 303292318 MSJUNFTZEQCWJL-ZROIWOOFSA-N 278.307 3.546 30 20 CHED N#Cc1ccc(CNC(=O)CCC2CCCCC2)cc1F 404571979 KDVWHFMDHLMUMB-UHFFFAOYSA-N 288.366 3.674 30 20 CHED CCN(C(=O)CC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 71868119 MHOQJQURYWJVMI-ZDUSSCGKSA-N 272.392 3.904 30 20 CHED CCCCCCCC(=O)N1CCCC[C@H]1c1ncc[nH]1 120246506 IHTGXQDHDYAMLU-AWEZNQCLSA-N 277.412 3.824 30 20 CHED N#Cc1cccc(NC(=O)c2cncc(-c3ccccc3)c2)c1 74672207 POSYFAKEBNDYPS-UHFFFAOYSA-N 299.333 3.873 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)cc(Cl)c2)c1 152322314 WWVOTIGVSOVDTF-UHFFFAOYSA-N 283.758 3.906 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(OC)nc1C)c1ccccc1 188567084 CDVLOTUBJQKKMD-HNNXBMFYSA-N 296.370 3.697 30 20 CHED CC[C@H](NCc1ccc(F)cc1C#N)c1ccc(OC)cc1 181833606 HVMUNPNEUAVWCW-SFHVURJKSA-N 298.361 3.947 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@]2(C)CC=CCC2)cc1 410867485 ZSVMMVJPYPCSBL-FUHWJXTLSA-N 282.387 3.676 30 20 CHED C=C(Cl)CSCc1nc(-c2cccs2)no1 74258224 RBUZQRGRLRZKFW-UHFFFAOYSA-N 272.782 3.784 30 20 CHED COc1cc(C#N)ccc1CNc1cc(F)cc(Cl)c1 500880658 NHRDILADOIGPLO-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1cccs1 75269218 SBRHJEJHTWVGJH-VXGBXAGGSA-N 284.384 3.601 30 20 CHED CC(C)[C@@H](CNc1ccc(C#N)cn1)Nc1ccccc1 73770460 OVEZEXVSJXXPSB-MRXNPFEDSA-N 280.375 3.502 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cc(F)ccc2OC(F)F)C1 185750318 HXULBDQXQNWNMG-GXSJLCMTSA-N 284.281 3.921 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCC[C@@H](C)C1 411075016 XDJILOLLCUEPGJ-RISCZKNCSA-N 284.359 3.526 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 182951866 DJDFGVMMZIMNQD-XKQJLSEDSA-N 282.387 3.710 30 20 CHED C[C@@H](NC[C@@H](c1cccs1)N(C)C)c1cccc(C#N)c1 37234633 NIEKJWUCMVKVHT-CJNGLKHVSA-N 299.443 3.573 30 20 CHED CC1(C)Cc2c(Br)cccc2[C@@H]1NCCC#N 411760637 SSDOLOBJRNOQMY-ZDUSSCGKSA-N 293.208 3.576 30 20 CHED C=CCC[C@H](NCc1cn(C)nc1-c1ccccc1)C1CC1 180418431 POZXGXUBVRVNTC-SFHVURJKSA-N 295.430 3.922 30 20 CHED C[C@@H](c1ccccc1F)N(C)CCOc1ccccc1C#N 315372837 CAJZQDKVYNAHOG-AWEZNQCLSA-N 298.361 3.769 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCCc1ccccc1Cl 410832679 DTBBKDWRUIEAFR-CQSZACIVSA-N 292.810 3.813 30 20 CHED CC(C)(C)c1ccncc1CNCc1cc(C#N)cs1 414503830 WXFRASAVXQPIHK-UHFFFAOYSA-N 285.416 3.602 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](C)CC#N 413356990 HCLBUFKSOXQCFV-ZFWWWQNUSA-N 264.413 3.744 30 20 CHED C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCC#N 44894902 QQNCEOOETPNRJB-VIFPVBQESA-N 257.164 3.900 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1 134506554 AGWFSEHOELJHDV-WEVVVXLNSA-N 282.368 3.582 30 20 CHED Cc1cccc2[nH]cc(CC(=O)O[C@@H](C)C(C)(C)C#N)c12 130411352 NZXSSOZWEFTAHW-LBPRGKRZSA-N 284.359 3.500 30 20 CHED CC(C)=CCN1CC=C(c2ccc(C#N)cc2)CC1 502532479 VLTCKIJKMMPBTM-UHFFFAOYSA-N 252.361 3.614 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/C[C@@H](C)SC)cc1 130714101 XBYQIXGIVOQHMC-NWDGAFQWSA-N 279.453 3.678 30 20 CHED C[C@@H](SCC[C@@H]1CCCO1)c1ccc(C#N)cc1 190041020 LUXVMVVZIAJJDH-DOMZBBRYSA-N 261.390 3.922 30 20 CHED C=C(C)[C@H](NC(=O)CC1(C)CC1)c1ccc(F)c(F)c1 429094265 PVHSUVITTWRGCU-HNNXBMFYSA-N 279.330 3.888 30 20 CHED C=C(C)CN(C)C(=O)Cc1cccc(Cl)c1Cl 194463080 VFPVMHBPJXCQBQ-UHFFFAOYSA-N 272.175 3.570 30 20 CHED CC(C)c1ccc(C(=O)N2CCc3c(C#N)cccc32)s1 421659485 XEGKTFMTHNMQLE-UHFFFAOYSA-N 296.395 3.946 30 20 CHED CC[C@@H]1CCCN1c1ccc(C#N)c(Br)c1 228179356 VZDYRNLIQGLGDM-LLVKDONJSA-N 279.181 3.700 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(C)ccc1OC 45169488 MMIHIFGTXRERMG-UHFFFAOYSA-N 297.354 3.821 30 20 CHED Cc1ccc(CCNc2ccc(C#N)cc2)c(C)c1 519948293 HWCVNAKNIXTUKD-UHFFFAOYSA-N 250.345 3.830 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(OCC(C)C)c1 193630121 GKMLVYLOSYTBRK-UHFFFAOYSA-N 288.391 3.927 30 20 CHED COc1ccc([C@H](C)CC(=O)Nc2cccc(C#N)c2)cc1 40643347 BQKYIBLXGSYZSQ-CYBMUJFWSA-N 294.354 3.699 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(F)c(F)c(F)c1 426581770 WBXNDQGCTBHINA-NSHDSACASA-N 255.283 3.644 30 20 CHED C=C[C@H](CC(=O)N1CCC(C)(C)C1)c1ccccc1 136635050 MRTJIOBKYDHZEC-CQSZACIVSA-N 257.377 3.605 30 20 CHED N#Cc1c(F)cccc1CNc1cc(F)c(F)c(F)c1 427433463 BIDGIWLUUPHPLI-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C=C(CN[C@H](C)C1(OC)CCCC1)c1ccccc1 421825496 NVVGGRUTFSJQFX-OAHLLOKOSA-N 259.393 3.637 30 20 CHED C=C(CNC(=O)N(CCC)CC1CC1)c1ccccc1 512672646 LPRGRZONMBILEP-UHFFFAOYSA-N 272.392 3.531 30 20 CHED C[C@H]1CCN(C(=O)Nc2cccc(CC#N)c2)CC1(C)C 334983198 YYBLIZBAGHMZJG-ZDUSSCGKSA-N 285.391 3.653 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 84590894 GMWZWWJOMAYTOV-ACJLOTCBSA-N 280.371 3.752 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc(OC3CCCCC3)nc2)C1 518473115 NVWRYRORBLIYFD-HOCLYGCPSA-N 299.418 3.575 30 20 CHED CCCCn1ncc(N/C(O)=N/[C@@H](C)C2CCCC2)c1C 331333832 TUBBMDAYYVDOKK-LBPRGKRZSA-N 292.427 3.896 30 20 CHED CC1(C)CCC([S@](=O)Cc2cccc(C#N)c2)CC1 334319975 YXPZTZJWKYYQNY-LJQANCHMSA-N 275.417 3.776 30 20 CHED Cc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)c(Cl)c1 191161054 HPIJSLLWRJSLJE-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CCc1nc(C)c(N=C(O)N(C)Cc2ccoc2C)s1 331201077 QAJZYCXRWPLDBA-UHFFFAOYSA-N 293.392 3.593 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(O)=Nc1cccc2c1OCCC2=O 330031250 SXBAMLHCPVNITH-PXAZEXFGSA-N 287.359 3.922 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425469567 SKQVEXBTUAOSPX-YSVLISHTSA-N 299.418 3.839 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2CN[C@H]1CCC[C@H](C#N)C1 193293422 ZCJIRXHTBIOXNB-UAGQMJEPSA-N 298.430 3.787 30 20 CHED C=CCN(CC=C)C(=O)c1cc2cc(C)ccc2o1 516412028 KKNCRDLPFZUEKD-UHFFFAOYSA-N 255.317 3.555 30 20 CHED CCCOc1ccc(Nc2snc(C)c2C#N)cc1 92912334 ZDVQQTDYIHXPKW-UHFFFAOYSA-N 273.361 3.856 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H]3CCCC[C@H]3C2)c1 332193730 GRSDIALYJXGFEK-GASCZTMLSA-N 283.375 3.521 30 20 CHED Cc1nc([C@@H](C)Sc2ccc(C#N)cc2Cl)no1 334906594 TVFDSLAZXXGFKQ-SSDOTTSWSA-N 279.752 3.756 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(COc2ccccc2)cc1 91203651 ZKICXFOTUJRGHA-AWEZNQCLSA-N 296.370 3.962 30 20 CHED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H](C)C#N 335998318 QMLBMAIOCONFBV-BDAKNGLRSA-N 285.174 3.672 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 432286087 XDSYYPWDUDWRDY-NVXWUHKLSA-N 297.402 3.957 30 20 CHED Cc1ccc(F)cc1-c1noc(-c2ccc(C#N)cc2)n1 230996892 DVMYRHRLTMPQIQ-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CCSCc1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1 97207975 ZZQIZNIAGRTWFR-MRXNPFEDSA-N 290.432 3.608 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCCC2)c2ncccc2c1 92874118 LIKVOMICPBVGQR-UHFFFAOYSA-N 293.370 3.956 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@H]3CCC[C@H]32)cc1 245556190 IVTZHNYOHHRNNX-QGPMSJSTSA-N 284.403 3.742 30 20 CHED CCN(c1nccc(C#N)c1Cl)[C@@H](C)c1cccnc1 342414427 LXVDAVNPDQHEFH-NSHDSACASA-N 286.766 3.589 30 20 CHED Cc1cc2cc(CNc3nccc(C)c3C#N)ccc2[nH]1 343881695 YBDWWKJRBQVIID-UHFFFAOYSA-N 276.343 3.664 30 20 CHED CC(C)CCN(CCC#N)C[C@@H](C)CC1CCOCC1 349970967 RPOWRBBCSWIURL-INIZCTEOSA-N 280.456 3.701 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@](C)(C#N)C(C)(C)C)c1 602302158 DEGRZLYQOUHYMQ-HDMKZQKVSA-N 284.403 3.543 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 248228993 QNCJOMGIDLXJGM-RCCFBDPRSA-N 298.430 3.713 30 20 CHED C=CCC(C)(C)C(=O)NCc1nc(C(C)C)c(C)s1 340195859 HUYVSTUPGNYBGS-UHFFFAOYSA-N 280.437 3.793 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1coc(SC)c1 602279454 HUMAYUQKMDGBJC-UHFFFAOYSA-N 280.393 3.594 30 20 CHED C[C@H](NCc1ccc2c(n1)CCCC2)c1ccc(C#N)cc1 435884888 YFQKTGAJISQJQP-AWEZNQCLSA-N 291.398 3.683 30 20 CHED C=CC[C@H](C)NC(=O)N(CCc1ccccc1)CC(C)C 522631525 BYDAYBSEDKEPQC-INIZCTEOSA-N 288.435 3.861 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc2ccoc2c1 343953742 ACUCBPIQAGNUOK-MRXNPFEDSA-N 273.332 3.600 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@H](C(F)(F)F)C1 435738422 AMTXJPOLWDHCRH-RQJABVFESA-N 291.357 3.678 30 20 CHED C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nccc3ccccc23)[C@@H]1C1CC1 529000984 USFIKFBAYLDCIL-SPOWBLRKSA-N 290.366 3.703 30 20 CHED CC(C)c1cnc(NC(=O)/C=C\c2ccccc2C#N)s1 255505032 GNBQIIXTUWDKAQ-FPLPWBNLSA-N 297.383 3.790 30 20 CHED C/C=C\COc1ccc(CC[C@H](C)NCCCC#N)cc1 346835203 ONEGBAHXRUCBDX-QGZUEGPWSA-N 286.419 3.856 30 20 CHED CCCC[C@@H](CC)CC(=O)N[C@H](C#N)CC(C)C 609762155 CSMLFFFTHQNEMS-KGLIPLIRSA-N 252.402 3.647 30 20 CHED C=C(CNCc1c(OC)cccc1OC)c1ccccc1 352780643 PMQDAZBKKOJQNJ-UHFFFAOYSA-N 283.371 3.507 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc[nH]1 537271148 NNBXXMRIZAPYRK-DZGCQCFKSA-N 275.396 3.606 30 20 CHED C=CCCC1(C(=O)NCc2c(F)cccc2SC)CC1 359102839 KTYRJBUWINUMOB-UHFFFAOYSA-N 293.407 3.910 30 20 CHED C=CC[C@@H]1N(C(=O)c2occ3c2CCC3)CCCC1(C)C 355340985 LHWOFEQPDJOGPR-HNNXBMFYSA-N 287.403 3.975 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2cnccc2c1 602688909 SOIVUNZTKSBNSH-AWEZNQCLSA-N 295.386 3.746 30 20 CHED C[C@@H]1CCC[C@H](c2noc(COc3ccccc3C#N)n2)C1 356221093 QAOWHRJZHBBMHX-OLZOCXBDSA-N 297.358 3.814 30 20 CHED COc1c(Cl)cccc1N[C@@H](C#N)Cc1ccccc1 604435569 HHWAHKYRVXDJRE-CYBMUJFWSA-N 286.762 3.895 30 20 CHED N#CC1(F)CCN([C@H]2CCc3c(Cl)cccc32)CC1 352489859 DPHKZRLLYSJAEQ-AWEZNQCLSA-N 278.758 3.655 30 20 CHED Cc1ccnc(NCC2(c3ccncc3)CCCC2)c1C#N 353272243 ATTUEIJTINUHAD-UHFFFAOYSA-N 292.386 3.581 30 20 CHED CC(C)CN(CCC(C)(C)C#N)c1ccc(C#N)cc1 539566664 QOQSXQSZXMJNJG-UHFFFAOYSA-N 269.392 3.961 30 20 CHED C[C@H]1CCC[C@@H](c2noc(-c3cc(C#N)cs3)n2)C1 356229252 XZAQMMQOFWJLGD-GXSJLCMTSA-N 273.361 3.963 30 20 CHED N#Cc1ccc(-c2cccc(CNCC3CC3)c2)s1 610090229 WONSPDVGEXCNGV-UHFFFAOYSA-N 268.385 3.786 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2csc(C(C)(C)C)n2)C1 617784437 SCWNYOOAGOOVKT-GFCCVEGCSA-N 292.448 3.869 30 20 CHED C=C1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 264421619 ADRNUOBHWKMVHA-UHFFFAOYSA-N 294.398 3.813 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1c(C#N)cnc2c(F)cc(F)cc12 352323836 DCQOMACMTHQMGX-OTYXRUKQSA-N 287.313 3.985 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)[C@@H](C)C2CCCCC2)C1 532334965 QTTHMKZAMBANEP-YXXKGXSTSA-N 276.424 3.647 30 20 CHED COc1cccc2c(CN(C[C@H](C)C#N)C3CC3)cccc12 449035888 IMTKUOWLMBGEOK-CQSZACIVSA-N 294.398 3.972 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCc1ccc(F)cc1 611390047 RRIQEAKYYAUDNE-IBGZPJMESA-N 294.373 3.907 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1CNc1cccc(CC#N)c1 449695146 HWHRJRVLDUCVJJ-UHFFFAOYSA-N 296.418 3.933 30 20 CHED N#Cc1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 446146923 YKNNQEAUUZSQMB-UHFFFAOYSA-N 288.232 3.515 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@@H]1NCC1CCC(C#N)CC1 442877413 UHNMOYQZFHTANK-SEBUGHOLSA-N 286.394 3.979 30 20 CHED C=C(C)CN(C)C(=O)c1c(F)cc(C(F)(F)F)cc1F 355691039 RRMBFIYJNSGDMZ-UHFFFAOYSA-N 293.235 3.632 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)OCC 535145974 BGXCNPVSFIECSA-HZMVEIRTSA-N 293.451 3.833 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C(C)C)oc2c(Cl)cccc12 264608573 HFEVITZTVPIAGS-GFCCVEGCSA-N 290.750 3.673 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(C)ccc1O 533871866 MLRMMKSFWBXAAR-UHFFFAOYSA-N 295.382 3.572 30 20 CHED C[C@]1(C#N)CCCN(Cc2cccc(-c3cccnc3)c2)C1 612406080 HZHQMUMYSLZJOI-LJQANCHMSA-N 291.398 3.874 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(CSC2CCCC2)c1 610140059 BSJOLBLYWAUJJK-LBPRGKRZSA-N 288.416 3.961 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(CCC#N)CCC(C)C 535583747 YJVNGKDSSFDMOK-CQSZACIVSA-N 266.429 3.847 30 20 CHED CCSc1ccc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)cc1 453168048 BSGQLOFOQIVWHC-BONVTDFDSA-N 285.372 3.650 30 20 CHED Cc1ccsc1CNCc1ccc(C#N)c(Cl)c1 619748349 BEJYKENAALKYSH-UHFFFAOYSA-N 276.792 3.871 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1ccccc1OC 455529911 ZCRLWFNZIKJVCK-OAHLLOKOSA-N 288.391 3.508 30 20 CHED C=CC(C)(C)CNC(=O)N1Cc2cccc(Cl)c2C1 455388014 RBOHBMYVFNEUBV-UHFFFAOYSA-N 278.783 3.577 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1SC 453374852 WYZDSOVDOUADEZ-CFVMTHIKSA-N 277.433 3.793 30 20 CHED N#CCC[C@H](Nc1ncc(C(F)F)cn1)c1ccccc1 450393440 RBUAYIZMDMAHQS-ZDUSSCGKSA-N 288.301 3.871 30 20 CHED C=CC(C)(C)CNC(=O)COc1ccc2ccccc2c1 452778612 RDURUXYIMFWHFX-UHFFFAOYSA-N 283.371 3.547 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc([C@@H]2CCCc3ccccc32)no1 453047951 NJLPECWFHOKWLZ-OAGGEKHMSA-N 296.370 3.596 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2ncc(C)s2)CCCCC1 276629124 JAAIOHDPMQYNAM-ZDUSSCGKSA-N 290.432 3.603 30 20 CHED C=CCCc1noc([C@H](C)Cc2cccc(F)c2)n1 453251361 ZXMMLEHXDPWSCK-LLVKDONJSA-N 260.312 3.674 30 20 CHED C[C@@H](C#N)CN(C)CCc1c(Cl)cccc1Cl 450340760 XLCIVPXBMSPSKN-JTQLQIEISA-N 271.191 3.627 30 20 CHED C=CCC1(CNC(=O)N(C(C)C)C2CC2)CCCC1 459053237 QRTUEXQNYGHOAE-UHFFFAOYSA-N 264.413 3.705 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1C(C)C 459295174 YKNURQWVJATEDU-DLBZAZTESA-N 299.418 3.524 30 20 CHED N#Cc1cnc(N(CC2CCC2)CC2CC2)c(Cl)c1 360253463 YWHLQWBMEYXTOF-UHFFFAOYSA-N 275.783 3.623 30 20 CHED Cc1c(Cl)cnc(NCCCC(F)(F)F)c1C#N 273306196 HTCINNZATQPNPG-UHFFFAOYSA-N 277.677 3.670 30 20 CHED C=CCC[C@H](C)N[C@H](CCOC)c1ccc(C)o1 273215024 AAHNRDIZQWCLJJ-GXTWGEPZSA-N 251.370 3.610 30 20 CHED N#CCC1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 543184353 MOWSHNYCIIWKJK-INIZCTEOSA-N 274.795 3.953 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 542587776 WJRMNPRBBXGCJI-BZUAXINKSA-N 281.440 3.690 30 20 CHED C=CCCCCNC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 274693432 VYNVYXUDZIWUQG-CYBMUJFWSA-N 291.366 3.507 30 20 CHED C[C@H]1CC(=O)c2c(OCCC(C)(C)C#N)ccc(F)c21 548836270 PQYPHPIGDFUSRC-JTQLQIEISA-N 275.323 3.834 30 20 CHED C[C@H](N[C@H](CCO)C1CCCCC1)c1ccc(C#N)cc1 271829938 DUZOZLGWJYTPBI-KBXCAEBGSA-N 286.419 3.540 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cnccc1C)c1ccccc1 271425215 CLFRQMXQUSIESS-MAUKXSAKSA-N 264.372 3.805 30 20 CHED C[C@@H]1CCC[C@@H]1N=c1c(C#N)c[nH]c2ccc(Cl)cc12 462822209 TYFUZSFNSLYAKZ-YGRLFVJLSA-N 285.778 3.782 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccccc2Cl)no1)OCC 270000960 BAPYDQUUBFYIDK-CYBMUJFWSA-N 292.766 3.914 30 20 CHED N#CCC1CCN(C/C=C\c2ccc(F)cc2F)CC1 544597362 CANHSECVBOHBDN-UPHRSURJSA-N 276.330 3.604 30 20 CHED CC(C)(C#N)CCNc1ccc(C(=O)NC(C)(C)C)cc1 288650289 DYXQFIODEZLRHW-UHFFFAOYSA-N 287.407 3.567 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(CCCSCC#N)C1 285648328 LPMNRUVMCXEBCO-HOCLYGCPSA-N 274.433 3.716 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2c1OC(C)(C)C2 555677623 VUHFTVSUBZWWCX-UHFFFAOYSA-N 273.376 3.941 30 20 CHED C=C(C)[C@H](NC(=O)C[C@@H]1C[C@H]1C)c1ccc(F)c(F)c1 558563960 VSOYNAOXKIHMCD-XAGWURHQSA-N 279.330 3.744 30 20 CHED C[C@H]1CC(C)(C)C[C@H]1NC1(c2cccc(C#N)c2)CC1 551557289 BXBBWVQDTISOJR-XJKSGUPXSA-N 268.404 3.962 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 465149822 VKPLZAIQUHBTDA-OCCSQVGLSA-N 274.408 3.756 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)c1cccc(N2CCCC2)c1 288091586 ZYQBTDBMKQHCQF-CQSZACIVSA-N 292.386 3.727 30 20 CHED C=CCCCCNC(=O)N[C@H](C)c1cc(F)ccc1OC 472860228 YTOJKMOCJVAHJU-GFCCVEGCSA-N 294.370 3.551 30 20 CHED C=CCCCC(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 478182910 NHYDNRZKZDNFGI-UONOGXRCSA-N 295.329 3.616 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 294611511 YAHZZPRRRWJKNA-UHFFFAOYSA-N 288.391 3.822 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](O)c1cc(C)cc(C)c1 800992849 UILQDVYAXCPTLM-UXLLHSPISA-N 261.409 3.527 30 20 CHED C[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F 475155966 VRHQRAITFBARTJ-FZMZJTMJSA-N 294.345 3.828 30 20 CHED C[C@H](CCCCO)Nc1ccc(C#N)cc1C(F)(F)F 296415669 WZDRJCIYNUBJIO-SNVBAGLBSA-N 286.297 3.540 30 20 CHED C=CCCc1noc([C@H]2C[C@@H]2c2ccc(F)cc2F)n1 297315074 NBKKYVTWKRSWDO-NEPJUHHUSA-N 276.286 3.738 30 20 CHED C[C@@H](CC#N)NC(=O)c1c(Cl)cc(Cl)cc1Cl 294857797 ZUQQQIFBSUUXTM-LURJTMIESA-N 291.565 3.679 30 20 CHED CCCCCCCNc1ccc([N+](=O)[O-])c(C(=O)O)c1 703756309 LJXWMLLAKVVEPW-UHFFFAOYSA-N 280.324 3.675 30 20 CHED N#CCCCC(=O)Nc1ccc(COC2CCCC2)cc1 292144906 PAAKUIIUIMUDCX-UHFFFAOYSA-N 286.375 3.778 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(N2CCCC2)nc1 560923949 DFEJCSHHWWWVMA-MRXNPFEDSA-N 287.451 3.906 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(C(C)=O)cc1 294974319 LJAFAGSWJNETAR-UHFFFAOYSA-N 283.371 3.713 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(CC)cccc1CC 806124266 LXQPXTKBZRLPRR-OAHLLOKOSA-N 272.392 3.735 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 292615040 BPLASJZCGNEITB-GOEBONIOSA-N 271.404 3.993 30 20 CHED C#CCCCc1nc(-c2cccc(C(F)F)c2)no1 809479767 APCRNHVWLJNELZ-UHFFFAOYSA-N 262.259 3.630 30 20 CHED C=CCOCCCN[C@@H](c1ccccc1C)C1CC1 470777375 VDGAWEVKPRVFCP-QGZVFWFLSA-N 259.393 3.628 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NCCC1(O)CCC1 564350992 VDOYEVJIWKEOFK-ZDUSSCGKSA-N 290.432 3.798 30 20 CHED C=CC[C@H](CC)NC(=O)C1CC(c2ccc(F)cc2)C1 644682009 ASHJZIDGFUAVOT-XUJLQICISA-N 275.367 3.790 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)CCC1 478949230 GOEZAIXSEGJFIY-OLMNGRFOSA-N 273.420 3.674 30 20 CHED C=CCCc1noc([C@@H](C)Cc2ccc(OC)cc2)n1 297378612 QWIWBVUYXMKTAP-LBPRGKRZSA-N 272.348 3.543 30 20 CHED C=CCN(CC=C)C(=O)CCCOc1ccc(C)c(C)c1 471295881 CUCVJHCTHHNMJV-UHFFFAOYSA-N 287.403 3.663 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC(F)F)cc1 486774721 QTNVHNCJUBIURM-GFCCVEGCSA-N 296.317 3.860 30 20 CHED CC(C)n1ncc2cc(C=NOC3CCC3)c(Cl)nc21 812236499 NPXILLDCYXBLJU-UHFFFAOYSA-N 292.770 3.569 30 20 CHED Brc1ccc(NN=C2CC[C@H]2C2CCC2)cn1 814847488 POCWKSUMVCVQNX-NSHDSACASA-N 294.196 3.822 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc(-c2ccco2)cs1 815537420 ZUQPLTISGKZAHG-UHFFFAOYSA-N 284.287 3.553 30 20 CHED C=CC[C@H](C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811479777 LNZKCKRKCXDRAI-QMMMGPOBSA-N 289.162 3.956 30 20 CHED C#C[C@@H](NC(=O)NCC1(CC)CC1)c1ccc(Cl)cc1 811889030 NKENBAYDINIZIK-CQSZACIVSA-N 290.794 3.504 30 20 CHED N#C[C@H](C(=O)C1=CCCCC1)c1cc(C(F)(F)F)ccn1 813212114 XTMMEXSYLVLMAV-LBPRGKRZSA-N 294.276 3.777 30 20 CHED C[C@@H](COCc1ccccc1)COc1ccccc1C#N 719610356 LZSGLCFBYPYLEQ-HNNXBMFYSA-N 281.355 3.790 30 20 CHED COc1cc(C(C)=NOC2CCC2)ccc1OC(F)F 812235501 IJSFHRIAGZKFKW-UHFFFAOYSA-N 285.290 3.590 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 814870508 FXAWEXTVJLEAKG-UHIISALHSA-N 271.351 3.529 30 20 CHED CCCCCCCCNC(=O)NCc1oc(CC)nc1C 813695140 MCXPBSOCZONNMX-UHFFFAOYSA-N 295.427 3.705 30 20 CHED C[C@@H]1C(=NNc2ccc(Cl)cc2)CC[C@@H]1CC(=O)O 814683748 OGBAOHPUHBTXNH-VHSXEESVSA-N 280.755 3.629 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCCC(C)(C)C2CC2)cc1 815162168 DABUEJYGLWFXOV-AWEZNQCLSA-N 286.419 3.893 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(N)nc1 814796640 JTDXYIGOLOFERG-UHFFFAOYSA-N 295.173 3.807 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(=C)CC1 579379500 VNMRAKDNGGOLNE-UHFFFAOYSA-N 286.423 3.668 30 20 CHED N#Cc1cc(N(C#N)Cc2cc3ccccc3o2)ccc1F 486905770 CNJRXJHCIDOWGR-UHFFFAOYSA-N 291.285 3.931 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@@H](C#N)CCC 727675265 IMUQYSHIEBRFLU-ZIAGYGMSSA-N 252.402 3.791 30 20 CHED C=CCN(CCCOC(C)C)CC1CCCCC1 484990728 AFNVMHYIPVGSJE-UHFFFAOYSA-N 253.430 3.870 30 20 CHED COC(=O)C1(CSc2cccc(F)c2C#N)CCCC1 571179874 XFBVRLBIIRSNEG-UHFFFAOYSA-N 293.363 3.523 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1ccccc1O 726428391 AGGNLMWKCXRJBJ-UHFFFAOYSA-N 292.285 3.830 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)s1 728230187 AZCGYFRAKDVMNG-VURMDHGXSA-N 258.342 3.967 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CCCCCC#N 588672984 WEAWVALIWGVOHU-NWDGAFQWSA-N 290.329 3.650 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)CC(F)(F)F)c1ccccc1 490241730 FUDWKBIRPHJAFN-DGCLKSJQSA-N 285.309 3.803 30 20 CHED CCn1nc(C)c(/C=C2\Cc3c(C)cccc3C2=O)c1C 729151757 XFMXRZHYIZKVRV-GXDHUFHOSA-N 280.371 3.651 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccc(C(C)C)nc2)no1 904695334 NYCMALFHMVLOMR-ZDUSSCGKSA-N 286.379 3.611 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1cc(C#N)ccc1F)C1CC1 826565151 MLWUMNQPRCILEU-NEPJUHHUSA-N 288.366 3.737 30 20 CHED C#C[C@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)C(C)C 821563294 MGYKARVONCYAPC-ZDUSSCGKSA-N 298.308 3.571 30 20 CHED Cc1nsc(NCC(C)(C)c2ccccc2F)c1C#N 583210530 BAJUUKXJUJDYAG-UHFFFAOYSA-N 289.379 3.852 30 20 CHED CC(C)(C)C[C@@H](NC(=O)CCCCCC#N)C(F)(F)F 588163390 ZXKBVNRPAZRHMR-LLVKDONJSA-N 292.345 3.944 30 20 CHED CC(=NNc1oc(C(C)(C)C)nc1C#N)C1CCCC1 733076570 UFVGGHOLFGJFCH-UHFFFAOYSA-N 274.368 3.822 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 731322403 XYQJHMANVCACIA-WTKPLQERSA-N 285.274 3.938 30 20 CHED CCCc1ccc(/C=C2/C(=O)c3nccn3[C@@H]2C)s1 901565746 NWIKFJUAEDAJAK-QQMDNXKGSA-N 272.373 3.738 30 20 CHED Cc1cccc(C)c1COC(=O)c1cccc(C#N)c1 738566369 GSEYXYHUJUJZIL-UHFFFAOYSA-N 265.312 3.532 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2ccc3c(c2)OCCO3)c1 730436819 MKOJQGCQHJRJLA-HYXAFXHYSA-N 294.350 3.971 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCc2ccc3[nH]ccc3c2)C1 839049225 FJXOARLGJZPKRU-ZBFHGGJFSA-N 296.370 3.726 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)N1CCC(CCC#N)CC1 582603311 UKWYEWIPQBTHIG-UONOGXRCSA-N 279.428 3.536 30 20 CHED Cc1nc(CN2CCCc3cc(C#N)ccc32)sc1C 581496974 HNQICKVNGLAODH-UHFFFAOYSA-N 283.400 3.584 30 20 CHED CC(C)(C#N)CCSCCOc1cccc(F)c1 582263697 GDKKDQJCNZJXQF-UHFFFAOYSA-N 267.369 3.878 30 20 CHED C[C@]1(CCc2ccccc2)CCN(c2cc(C#N)ccn2)C1 587993994 FPDJAMWWXJARPF-IBGZPJMESA-N 291.398 3.802 30 20 CHED CCc1ccccc1COC(=O)[C@@]1(C#N)CC12CCCC2 837904232 WSSBIEFPPOSZDI-SFHVURJKSA-N 283.371 3.766 30 20 CHED CC(CCC1CCCCC1)=NNc1cnnc(O)c1Cl 731926264 TVSPCLVLTWQZPF-UHFFFAOYSA-N 296.802 3.984 30 20 CHED N#Cc1ccc(OC(=O)[C@H]2CCCc3ccccc32)cc1 906383157 HJVGHYSVIMXAAQ-KRWDZBQOSA-N 277.323 3.584 30 20 CHED C=CCCCCCCCCN[C@H]1CCn2ccnc21 834803714 XLBAKCOYZJDWNC-HNNXBMFYSA-N 261.413 3.834 30 20 CHED N#CCCCCCC(=O)Nc1cc(F)c(F)cc1F 588156819 CFDPBWXJIAUBML-UHFFFAOYSA-N 270.254 3.516 30 20 CHED N#CC1(CN[C@@H]2CCSc3c(F)cccc32)CCC1 903032163 RFGBYDWOUJJNLP-CYBMUJFWSA-N 276.380 3.646 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(N(C)C)c(F)c2)no1 583466279 XIDIHWADAXXZFN-MRXNPFEDSA-N 289.354 3.795 30 20 CHED CCc1cccc(C)c1NC(=S)NN=C1C=C(C)CC1 730574093 JTNWWTZFESNCIW-UHFFFAOYSA-N 287.432 3.940 30 20 CHED CC(C)Oc1cccc(OC(=O)c2ccc(C#N)cc2)c1 730931294 OSJFZHZLCHQTCQ-UHFFFAOYSA-N 281.311 3.565 30 20 CHED CCn1cncc1/C=C1\C[C@H](C)c2ccccc2C1=O 901486664 PBFVDUQETNJYAW-OQZOHAQUSA-N 266.344 3.677 30 20 CHED C=C(CC)CN[C@H](C)c1cc(Br)ccc1O 834902470 IMZCSSPABASJPR-SNVBAGLBSA-N 284.197 3.772 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)/C=C(/C)C1CC1 839891983 SNELUSCKXLHSBG-BHEFUSTPSA-N 269.388 3.646 30 20 CHED C#CCN(CC)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 919876507 ZGIRSZXZJSOUEZ-UHFFFAOYSA-N 297.329 3.713 30 20 CHED C=CCN(C(=O)c1cc2c(s1)CC[C@@H](C)C2)C(C)C 915147914 QDDNGYMZRQMMAI-GFCCVEGCSA-N 277.433 3.910 30 20 CHED CC1(c2ccccc2)CCN(c2ccnc(C#N)c2)CC1 588005826 GMZXMVXKCMUQOW-UHFFFAOYSA-N 277.371 3.511 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(C2CC2)cc1Cl 835471027 PPVJRNUZXAFSFD-OCCSQVGLSA-N 292.762 3.714 30 20 CHED C[C@H]1C[C@H](NN=C2CCCC23CCCCC3)CCO1 834969924 JVWNWCZCVHUDDL-UONOGXRCSA-N 264.413 3.634 30 20 CHED C[C@@H](c1cc(F)ccc1F)N1CCC[C@H](CC#N)C1 595613333 BDKYRWMVWVFNPP-NWDGAFQWSA-N 264.319 3.651 30 20 CHED c1ccc([C@@H]2CCCCC2=NNc2ncccn2)cc1 912973939 CIJIUQDFQOUJJO-AWEZNQCLSA-N 266.348 3.602 30 20 CHED COc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1C#N 741842140 FCIHZEZCUWIIJL-KPKJPENVSA-N 293.297 3.528 30 20 CHED N#Cc1c(F)cccc1C(=O)OCC1CCC(F)(F)CC1 837649557 RCBSHHGCNYKSRN-UHFFFAOYSA-N 297.276 3.680 30 20 CHED CCCCCCCCCC(=O)NCc1ncc(C)cn1 910659720 ZCROOXJVJUQUOJ-UHFFFAOYSA-N 277.412 3.542 30 20 CHED CC[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 595568424 UWNMZLFYBTVAHP-HZPDHXFCSA-N 285.391 3.519 30 20 CHED C=C(CNC(=O)[C@@H](CCC)C(C)C)c1ccccc1 672482148 TVVIDVCYMSUYIP-INIZCTEOSA-N 259.393 3.888 30 20 CHED CCC(=O)c1cccc(NC(=O)CCCCCC#N)c1 672461765 MQAQQHHKNUAFSW-UHFFFAOYSA-N 272.348 3.692 30 20 CHED C=CCC[C@H](NC[C@]1(O)CCCc2ccccc21)C1CC1 747872122 SYKIYWSUNCTWGT-RBUKOAKNSA-N 285.431 3.545 30 20 CHED CCN(C(=O)c1ccc(SC(C)C)cc1)[C@@H](C)C#N 598352184 HVKWOYHVASLBKL-LBPRGKRZSA-N 276.405 3.561 30 20 CHED C=CCOCCCC(=O)Oc1c(C)cc(Cl)cc1C 744352534 LTSOHNCORFEXFL-UHFFFAOYSA-N 282.767 3.845 30 20 CHED C[C@@]1(C#N)CCCN(c2nc(C3CCCCC3)ns2)C1 591461512 QKOWXVLUGUYLGN-HNNXBMFYSA-N 290.436 3.716 30 20 CHED CC[C@](C)(NC(=O)c1ccc(C#N)s1)c1ccccc1 749381887 LAIZRSMIFJBMPS-INIZCTEOSA-N 284.384 3.675 30 20 CHED Cc1cc(N(C)C)ccc1CNc1cccc(OCC#N)c1 840936159 FQGTYGDEYMEILJ-UHFFFAOYSA-N 295.386 3.576 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCc1ccc(Cl)c(Cl)c1 847167019 HLDHSTXFJGQHLO-LLVKDONJSA-N 299.201 3.687 30 20 CHED C#CCN(C/C(Cl)=C\Cl)Cc1ccc(F)cc1 746502659 HAFQRBPKVWVTDS-XYOKQWHBSA-N 272.150 3.580 30 20 CHED N#CCCCOc1cccc(N=Cc2cccc(O)c2O)c1 917559119 GUHBNTNRYDVGBQ-UHFFFAOYSA-N 296.326 3.531 30 20 CHED Cc1cc(OC(=O)c2cccc(CC#N)c2)ccc1Cl 915805667 IHANTQGGPZXOLU-UHFFFAOYSA-N 285.730 3.934 30 20 CHED C[C@@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)c1ccco1 598886450 FHMJSDMRHXGRAE-CYBMUJFWSA-N 294.354 3.840 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(CCC)cc1 684767227 FDSVORHWPOXUJU-MSOLQXFVSA-N 273.420 3.710 30 20 CHED CCn1cc(C=NOCc2cccnc2)c2ccccc21 746585313 AVHVGLCKCKEIGS-UHFFFAOYSA-N 279.343 3.607 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cc1cncs1 847744796 XZBQCHLBMKFQKT-KWCYVHTRSA-N 279.405 3.610 30 20 CHED CC(C)C[C@@H](C(=O)NC1(C#N)CC1)c1ccc(Cl)cc1 598820674 MOMXYEDFHXNGFN-CQSZACIVSA-N 290.794 3.642 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OC[C@H](C)CC(F)F 847733028 WIMLOIGFZKYYFK-NEPJUHHUSA-N 295.329 3.571 30 20 CHED C[C@H](C#N)N(C(=O)c1cc(Cl)ccc1Cl)C1CC1 598122422 AVYNEXQFEKZZBS-MRVPVSSYSA-N 283.158 3.510 30 20 CHED C#Cc1cccc(NC(=O)NCC(CC)(CC)SC)c1 743084809 CAEORQAEVFILRU-UHFFFAOYSA-N 290.432 3.711 30 20 CHED Oc1ccccc1C=NOCc1ccc(C(F)(F)F)cc1 746576727 MWJNODSBCAHKFY-UHFFFAOYSA-N 295.260 3.962 30 20 CHED Cc1cc(NN=C2CCC[C@H]2c2ccc(F)cc2)ncn1 741164474 MUDWCSCPTJACDH-AWEZNQCLSA-N 284.338 3.660 30 20 CHED N#Cc1ccc(CCN[C@H]2CCCC[C@@H]2C2CC2)cc1 595057914 YLRXXLHHTJVSSO-MSOLQXFVSA-N 268.404 3.659 30 20 CHED C=CCOCCCC(=O)OCC1=CC[C@H]2C[C@H]1C2(C)C 744350895 QVAZWYOFCIOZJX-LSDHHAIUSA-N 278.392 3.505 30 20 CHED N#C[C@H](OC(=O)c1ccc2ccncc2c1)C1CCCCC1 845421303 AIPJRYVFKXGHCE-KRWDZBQOSA-N 294.354 3.864 30 20 CHED COCC#CCN[C@H](Cc1ccccc1)c1sccc1C 680393788 CNKYKDBSHBJJMG-QGZVFWFLSA-N 299.439 3.580 30 20 CHED Oc1cccc(C=Nc2cccc(C(F)(F)F)c2)c1O 920946023 OSNZELDGKZLDTQ-UHFFFAOYSA-N 281.233 3.867 30 20 CHED FC(F)CON=Cc1cc(Cl)cc2cccnc12 758899804 NSINWDJEXUFELG-UHFFFAOYSA-N 270.666 3.504 30 20 CHED C#CC[C@@H](NC(=O)c1cc(F)ccc1C)c1ccccc1 758006201 LDBJIYZZYPGYON-QGZVFWFLSA-N 281.330 3.629 30 20 CHED C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 920061272 YCDDDUWNYGPTPT-ILXRZTDVSA-N 293.455 3.640 30 20 CHED Cc1ccc2c(CCC(=O)O[C@H](C#N)C(C)C)c[nH]c2c1 751160158 NHJPQAXYZIXYJJ-MRXNPFEDSA-N 284.359 3.500 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@@H](C)c3ccccc32)nc1 754610190 UDOYHXORKLHVPP-CQSZACIVSA-N 290.366 3.607 30 20 CHED CC(C)c1ccc(C=NOCc2ncnn2C(C)C)cc1 853644457 NGPLSKPTLBCYGC-UHFFFAOYSA-N 286.379 3.533 30 20 CHED CCC1CC(=O)C(=CNc2ccc(C)cc2Cl)C(=O)C1 920976520 WOVPDTZDBODMMG-UHFFFAOYSA-N 291.778 3.902 30 20 CHED CC(C)(C)C=Nn1c(S)nnc1-c1ccccc1Cl 755526216 VANQYVJJTQJIQX-UHFFFAOYSA-N 294.811 3.767 30 20 CHED CCCCCNC=C1C(=O)CC2(CCCCC2)CC1=O 920976176 IWOLIOMVCOGIAQ-UHFFFAOYSA-N 277.408 3.533 30 20 CHED Cc1c(F)cccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851205315 HLKPVBKIOJGBTF-JTQLQIEISA-N 263.312 3.619 30 20 CHED CC(=NNc1cnnc2ccccc12)c1cc(F)cc(F)c1 755894208 WPNZZURQFRKSPR-UHFFFAOYSA-N 298.296 3.744 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)C1(Cl)CC1 925601772 OPCBZIPALCJWPA-JSGCOSHPSA-N 262.784 3.781 30 20 CHED Oc1nc(NN=C2CCC[C@H](C3CC3)C2)nc2ccccc12 757591729 XSTOKDDYVCYKMI-LBPRGKRZSA-N 296.374 3.704 30 20 CHED C#CCCOC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 753560851 JEKDTUDCXDLFCY-KBPBESRZSA-N 256.345 3.542 30 20 CHED CC[C@@H](CC(=O)N1CCC[C@H](C#N)C1)c1ccc(C)cc1 928220484 IFMNIGFZRONAHA-CVEARBPZSA-N 284.403 3.641 30 20 CHED CC(CCCC(C)C)=Nn1cc(Br)cn1 752748623 YJRXABSLDRFBJQ-UHFFFAOYSA-N 272.190 3.696 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(Cl)cc1 44293292 ZZVOGZJSDLKEBN-LLVKDONJSA-N 276.767 3.601 30 20 CHED C#CCN[C@@H](c1ccccc1Cl)c1ccccc1OC 754310037 XMIHYHUVJJNMOR-KRWDZBQOSA-N 285.774 3.661 30 20 CHED C#CC1CCC(=NNc2ncccc2C(F)(F)F)CC1 853290477 YMMCUKATNQAMFE-UHFFFAOYSA-N 281.281 3.692 30 20 CHED CCc1nc(C=NNc2ccc(OC(F)F)cc2)cs1 755683259 OXDFCADSEFWJSX-UHFFFAOYSA-N 297.330 3.753 30 20 CHED O=[N+]([O-])c1ccc(Cl)c(C/N=C/c2ccccc2O)c1 756775643 OZJVQMXKSWKMHC-LZYBPNLTSA-N 290.706 3.573 30 20 CHED CC(C)c1ccccc1C(=O)NCC1CCC(C#N)CC1 854335393 FHPNIIBYVDCDQT-UHFFFAOYSA-N 284.403 3.870 30 20 CHED COc1ccc(/C=C\C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851214456 QPEBGWLSZPQZCI-SZNGSJQDSA-N 287.359 3.580 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1c(C)cc(C)cc1C 751528999 MHAVUDHKEGHDDA-HNNXBMFYSA-N 260.381 3.826 30 20 CHED CCc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851213758 JSKUUXCFQUPGIV-LBPRGKRZSA-N 259.349 3.734 30 20 CHED CCc1cccnc1C(C)=NNc1cc(F)ccc1C 853393266 AAHBUCIESPNNSK-UHFFFAOYSA-N 271.339 3.928 30 20 CHED CC(=NNc1ncc(Cl)cn1)[C@H]1CCCC[C@@H]1C 857221170 SJWVKIMNMBOSEM-CABZTGNLSA-N 266.776 3.744 30 20 CHED C=CCc1cc(CN2C[C@@H](C)C[C@H]2CC)c(O)c(OC)c1 754736724 KMLJRGBKCFCGJO-XJKSGUPXSA-N 289.419 3.750 30 20 CHED C=CCCOCC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C 768864231 AMGLZDUEDXGGRW-MRXNPFEDSA-N 298.329 3.798 30 20 CHED CCCCCCCCN1C(=O)[C@@H]2CCCCCN2C1=O 760930786 YUUHZSDVSDLMMX-AWEZNQCLSA-N 280.412 3.554 30 20 CHED C=C1CN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C1 930123448 UJNCDXIDIACXED-UHFFFAOYSA-N 276.405 3.981 30 20 CHED C=C(C)COc1cccc(N[C@@H](C)c2cnccn2)c1 767560870 KLGIJFLSSSXETF-ZDUSSCGKSA-N 269.348 3.605 30 20 CHED Cc1nc2ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc2s1 764072279 UXIKOEBHHMTCHA-ZDUSSCGKSA-N 288.372 3.700 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(SC)cc1OC 935682406 KPIPJZPCXLCFDK-LLVKDONJSA-N 279.405 3.958 30 20 CHED C#CCN(CCCC1CCOCC1)[C@@H]1CCc2ccccc21 765920041 BPYFALMKJCWMDP-HXUWFJFHSA-N 297.442 3.816 30 20 CHED C#CCCOc1ccc(CN(CC)C2CCCC2)cc1 768334377 GNSCDSXSAAEYAB-UHFFFAOYSA-N 271.404 3.853 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)Cc1cnccn1 768515446 KZORBMWFHYIDAE-LSDHHAIUSA-N 263.429 3.746 30 20 CHED CCn1nc(/C=C\C(=O)c2ccccc2)c2ccccc21 769742688 KNJROQJBFZGTER-SEYXRHQNSA-N 276.339 3.952 30 20 CHED C=CCC(CC=C)c1nc(Cc2ccc(Cl)nc2)no1 867165415 FYATYRSDKDVMNR-UHFFFAOYSA-N 289.766 3.945 30 20 CHED C#CCOc1cccc(-c2noc([C@H]3CC=CCC3)n2)c1 761779829 VRKNGXOPZQDSFQ-ZDUSSCGKSA-N 280.327 3.572 30 20 CHED COc1cc(F)c(C(=O)/C=C/c2cccs2)cc1OC 760268635 BCFFRKXTCLZBCG-AATRIKPKSA-N 292.331 3.801 30 20 CHED C=CC(C)(C)CC(=O)NCc1cc(-c2ccccc2)no1 878224797 LDSLFBICSFZFTD-UHFFFAOYSA-N 284.359 3.560 30 20 CHED CC(C)c1nccnc1NN=Cc1coc2ccccc12 773092092 YNZFLUAZYLFRGE-UHFFFAOYSA-N 280.331 3.792 30 20 CHED C#CCCCCN[C@H](CC)c1cc(Cl)ccc1O 775527859 VJRTYKYIZXTUQI-CQSZACIVSA-N 265.784 3.890 30 20 CHED C=C(C)COc1cccc(NC(=O)COC2(C)CCC2)c1 773057014 ZHIRDFZNDZKVCB-UHFFFAOYSA-N 289.375 3.539 30 20 CHED COc1ccc(C(C)=NNc2cc(Cl)ccn2)cc1 777905706 NRMXCUDOJCZEMS-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C#CCCCCCC(=O)NC[C@H]1CCCc2ccccc21 779794661 KMVBOMWSOQTNHH-QGZVFWFLSA-N 283.415 3.806 30 20 CHED CCN(Cc1ccc(O[C@@H](C)C#N)cc1)C(C)(C)C 1117789389 KVKVAAHZHZFBJH-ZDUSSCGKSA-N 260.381 3.598 30 20 CHED CCc1cccc(NCCC(=O)Nc2cccc(C#N)c2)c1 1118155762 NIQVZYFPZCGGBL-UHFFFAOYSA-N 293.370 3.561 30 20 CHED CCNc1ccc(C#N)cc1NCc1cccc(COC)c1 776844419 UXKZMLVWESQSGJ-UHFFFAOYSA-N 295.386 3.749 30 20 CHED CC[C@H]1CCCC(=NNc2nccnc2C(C)C)C1 773085551 JIVJIDAAAURLGE-LBPRGKRZSA-N 260.385 3.968 30 20 CHED CCCN(Cc1ccccc1O)Cc1cccc(C#N)c1F 774640493 URUQCOKVGMUWLO-UHFFFAOYSA-N 298.361 3.815 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nc2ccccc2s1 770005071 RTOGWFLJCHHIRE-TUAOUCFPSA-N 271.389 3.639 30 20 CHED C=C[C@@H](CC(=O)OCc1oc(C)nc1C)c1ccccc1 1123359254 WAGXHOQCNRDKJR-AWEZNQCLSA-N 285.343 3.695 30 20 CHED CCCCC[C@@H](C(=O)N(C)[C@@H](C)CC#N)C(C)C 1121281288 SERNKCZRXRRUEE-UONOGXRCSA-N 252.402 3.599 30 20 CHED CC(CCCC(C)C)=NNCCC(=O)OC(C)(C)C 783868855 LAIJDXZYFFYHAJ-UHFFFAOYSA-N 270.417 3.510 30 20 CHED C=CC(C)(C)CC(=O)N(OC)[C@H](C)c1csc(C)n1 880185645 XIWCSNFRXYDLOO-SNVBAGLBSA-N 282.409 3.505 30 20 CHED O=[N+]([O-])c1ccc(C=NOC2CCCC2)c(Cl)c1 783859471 NINHJSXBGNQXBY-UHFFFAOYSA-N 268.700 3.541 30 20 CHED COc1ccc(CCNN=C2CCC23CCCC3)cc1 788716779 NKWWYNGSANIKGH-UHFFFAOYSA-N 272.392 3.538 30 20 CHED CC(C)CC1(CNC(=O)c2csc(C#N)c2)CCC1 1127215365 VLFNZXYICAIXGS-UHFFFAOYSA-N 276.405 3.566 30 20 CHED C#CC[C@H](N[C@H](C)c1ccccc1O)c1ccccc1 783525179 LOTQICUBKWIELG-PBHICJAKSA-N 265.356 3.807 30 20 CHED C#CCC1(C(=O)N(CC2CC2)C(C)C)CCCCC1 788433929 ZTTUTUSKKUGEIE-UHFFFAOYSA-N 261.409 3.607 30 20 CHED N#CC[C@H](OC(=O)c1ccoc1C1CC1)c1ccco1 1123370185 RUYCRDWMEDLJCL-ZDUSSCGKSA-N 271.272 3.562 30 20 CHED CCC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(F)n1 1122732893 YGLAQKLMAFSDBU-OLZOCXBDSA-N 276.355 3.859 30 20 CHED C#CCCCOC(=O)CCC[C@@H](C)c1cccc(OC)c1 789050130 ZQVPLNLJLZHOTO-OAHLLOKOSA-N 288.387 3.926 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(Oc2ccccc2)ccc1O 781178755 FQRLSFFTERFALJ-GFCCVEGCSA-N 297.310 3.643 30 20 CHED Cc1nc(C[S@@](=O)CCCCC2(C#N)CCC2)cs1 899392856 WVVYOJVQTHSRDU-IBGZPJMESA-N 296.461 3.564 30 20 CHED O=C(/C=C\c1cnc(-c2ccco2)s1)c1cscn1 789146662 AWIQPTXRUPXYDR-ARJAWSKDSA-N 288.353 3.756 30 20 CHED COc1ccccc1[S@@](=O)CCCCC1(C#N)CCC1 899277678 OQJRSOCYSAVPQQ-FQEVSTJZSA-N 291.416 3.667 30 20 CHED O=C1/C(=C/c2cnn(CC3CCC3)c2)Cc2cc(F)ccc21 899357227 GKCFBOHTPUPUBG-GIDUJCDVSA-N 296.345 3.645 30 20 CHED C=C1CCC(C(=O)Nc2ccc(O)cc2OC(C)C)CC1 897573770 WJJMGTJRVZEOOD-UHFFFAOYSA-N 289.375 3.864 30 20 CHED CC(C)(C#N)CC(=O)OCc1cccc(Cl)c1Cl 785107751 MTZZRJYMCWDMMV-UHFFFAOYSA-N 286.158 3.976 30 20 CHED c1ccc(C[C@@H]2CCCC2=NNCCc2ccccn2)cc1 789113788 XCSYUWKVCVMLOC-KRWDZBQOSA-N 293.414 3.613 30 20 CHED CCCCC[C@@](C)(CC)C(=O)NCc1ccc(C#N)cn1 782034596 FSSHJAKIIMHRAJ-QGZVFWFLSA-N 287.407 3.566 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H](C(C)C)C1)c1ccccc1 780571522 ZZAPCAFMRSMWCO-ROUUACIJSA-N 298.430 3.829 30 20 CHED COc1cccc(NN=C(C)c2cc(C)c(OC)cc2C)n1 783867774 VDABCCVPMQJSBG-UHFFFAOYSA-N 299.374 3.552 30 20 CHED N#Cc1ccc(N2CCC[C@H]2C2CCCCC2)cn1 301543890 WDHQGTNLMOGFMJ-INIZCTEOSA-N 255.365 3.502 30 20 CHED Fc1ccc2c(c1)C(=NNc1cccc(Cl)n1)CC2 793163815 NEDJTZPPVRAHDF-UHFFFAOYSA-N 275.714 3.637 30 20 CHED C=CCCCCCCNC(=O)c1cccc(F)c1F 389034622 KYZQCFQEUCUDOM-UHFFFAOYSA-N 267.319 3.831 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](CC)c1ccc(F)cc1F 791072573 DDAISVPYVGIFGS-SWLSCSKDSA-N 294.345 3.517 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(-c2ccsc2)nc1C 791205099 OAXFTYASMDUFBF-AWEZNQCLSA-N 298.411 3.650 30 20 CHED CCCCCCCNC(=O)C[C@@H]1CNc2ccccc21 703778900 UVZXHXFHVOHEHD-CQSZACIVSA-N 274.408 3.672 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(C#N)cn1 793558374 SDUVIKVSOIISOK-CQSZACIVSA-N 257.381 3.568 30 20 CHED COc1ccccc1CON=C(C)c1ccc(C#N)s1 799118194 ZWDVDMMZQTWGQM-UHFFFAOYSA-N 286.356 3.569 30 20 CHED N#Cc1cc(NCc2ccco2)ccc1OC(F)(F)F 799348223 DDYLJLDJKDRJDZ-UHFFFAOYSA-N 282.221 3.662 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc(Cl)s1 794548617 WHSWSMSIFFBFEC-UHFFFAOYSA-N 270.707 3.668 30 20 CHED CC(Cn1nc(C)cc1C)=NOC[C@H](C)CC(C)C 799174130 BJTKCAJRXGFSRU-GFCCVEGCSA-N 265.401 3.575 30 20 CHED C=CCCC[C@@H](C)NC(=S)NCCCCC(F)(F)F 794989307 QXVMWWKBJTXXIG-LLVKDONJSA-N 296.402 3.928 30 20 CHED COc1ccccc1CON=C1CCC2(CCCO2)CC1 799117271 IATZUNQQTBMKGE-UHFFFAOYSA-N 289.375 3.691 30 20 CHED CC(C)C[C@H]1CCCC(=NOC2CCOCC2)C1 794536847 STURQFBLZHUYMO-CYBMUJFWSA-N 253.386 3.774 30 20 CHED Cc1cc(C)nc(NN=C[C@@H](c2ccccc2)C(C)C)n1 794446887 DKVBVYHHQOMHFC-MRXNPFEDSA-N 282.391 3.931 30 20 CHED N#Cc1ccc(C(=O)OCc2csc3ccccc23)o1 796148476 LCAJLVDBQKPGMB-UHFFFAOYSA-N 283.308 3.723 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C/C=C/c1ccco1 797404386 MZJNCFCPFMRFGG-UMXYYGFDSA-N 290.754 3.958 30 20 CHED N#C[C@H]1CC[C@H](NCCc2ccc(N3CCCCC3)cc2)C1 799715824 UVILGADGHDJLEO-ROUUACIJSA-N 297.446 3.501 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1coc(C(C)C)n1 799477916 LOQMHHIODZYJGZ-GFCCVEGCSA-N 271.364 3.873 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1nc(C)cs1 80272786 PVFDCXZLVWLYFB-ZDUSSCGKSA-N 288.416 3.867 30 20 CHED C=C(CC)CNCCC1CCN(C(=O)OC(C)(C)C)CC1 695295394 GDDYARPJJYEJHE-UHFFFAOYSA-N 296.455 3.579 30 20 CHED CCOc1ccccc1C=NNc1ccc(C(C)(C)C)nn1 1318681520 LTOUNFHABREOJT-UHFFFAOYSA-N 298.390 3.619 30 20 CHED CN(C(=O)CC#Cc1ccccc1)[C@@H]1CCc2ccccc21 1319640481 LYFNMEPITKRRQX-LJQANCHMSA-N 289.378 3.574 30 20 CHED CC(C)[C@H]1CCC[C@@H](NCc2cccc(C#N)n2)CC1 1621272148 WXRAOKBLFIIXNR-LSDHHAIUSA-N 271.408 3.648 30 20 CHED CC(C)=CCC[C@@H](C)NCCC(=O)Nc1cccc(C#N)c1 1326161305 WAFBTOFMIWXLIW-OAHLLOKOSA-N 299.418 3.611 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cc2cccc(OC)c2o1 1331970684 JOWBTNDVORPJBX-UHFFFAOYSA-N 287.359 3.660 30 20 CHED CCC1(C(=O)Nc2cc(OC)c(C#N)cc2F)CCCC1 1334274193 PQHJEHJODZHPPQ-UHFFFAOYSA-N 290.338 3.615 30 20 CHED Cc1ccc(OC[C@H](C#N)CCC#N)c2c1[C@H](C)CC2=O 1349499428 WHXFNCRMQWORTP-OLZOCXBDSA-N 282.343 3.507 30 20 CHED COc1cc(O)ccc1/C=C1/CCc2ccc(C)cc2C1=O 1341083154 SHYGSNROCJIIQM-GDNBJRDFSA-N 294.350 3.922 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)c1cccc(F)n1 1342643690 UHHHJGHIBPOIBP-LBPRGKRZSA-N 293.301 3.501 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCCC[C@H](C)C1 1340397920 ITRDSQDBQIQDHX-QWHCGFSZSA-N 294.468 3.515 30 20 CHED Cc1cc(F)cc(C)c1C(=O)N(C)Cc1ccc(C#N)cc1 1355601684 AGIXNJRMTYRBSD-UHFFFAOYSA-N 296.345 3.586 30 20 CHED N#Cc1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1F 1436588545 FXSXZAUDAMPAQK-UHFFFAOYSA-N 294.329 3.756 30 20 CHED CC1(C)CCC(CNC(=O)c2cc(C#N)ccc2F)CC1 1358350258 FOTNTPLNHWMPMN-UHFFFAOYSA-N 288.366 3.644 30 20 CHED CCc1csc(SCc2ccc(C#N)cc2OC)n1 1459200387 VWLUFBDRMPFIEQ-UHFFFAOYSA-N 290.413 3.878 30 20 CHED CCSc1cccnc1C(=O)Nc1cc(C)cc(C#N)c1 1528802817 WGHKLPJDUFUKLU-UHFFFAOYSA-N 297.383 3.626 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)/C(C)=C\C1CCC(C)CC1 1526587192 LVWBFMCXSIBMLV-QQJFNDLNSA-N 299.418 3.852 30 20 CHED CC[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)[C@H]1C 1539122110 QHFPDEZTCVMOSO-STQMWFEESA-N 288.416 3.563 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H](CC#N)c2ccccc2)C1 1538411266 NNHMCFTWGGNFEQ-INMHGKMJSA-N 284.403 3.721 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)[C@@H](CC#N)c1ccccc1 1460390793 RAKIXFBUYYICFR-HNNXBMFYSA-N 286.419 3.872 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(C#N)ccc1F 1535455772 UIMGUBSUCWNBPB-DGCLKSJQSA-N 274.339 3.852 30 20 CHED C[C@@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC12CCC2 1546182462 ZBQJPEVCHHHDSY-WBVHZDCISA-N 296.414 3.723 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@H]2CC2CCCCC2)n1 1611889060 HPTPGAMCDAIQDE-INIZCTEOSA-N 284.407 3.596 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1559087318 IBBWTRNMZYTDGZ-OVYGPGRDSA-N 277.371 3.667 30 20 CHED C=C(Br)CN1CCC[C@@H](C)[C@@H]1CCC 1559615816 KICPIARVIUOMIG-PWSUYJOCSA-N 260.219 3.796 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(Cl)nc1C 856374292 VPPZPYLAVFJQIS-UHFFFAOYSA-N 266.772 3.518 30 20 CHED CCCCCCCNC(=O)Nc1ccc(C(=O)O)cc1F 1573841631 XVAWIPKRCXZYME-UHFFFAOYSA-N 296.342 3.616 30 20 CHED C[C@@H](NC(=O)c1csc(C#N)c1)c1ccc2c(c1)CCC2 1583993050 GENSFUVUZHFWRF-LLVKDONJSA-N 296.395 3.599 30 20 CHED C=C(Cn1c(C2CC2)nnc1N(CC)CC)c1ccccc1 1593789532 NOKGZNJWFPCWFA-UHFFFAOYSA-N 296.418 3.715 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])s1 8080257 QDHSMZXJMJIFJL-BQYQJAHWSA-N 273.313 3.861 30 20 CHED C=C(C)CCN1CCC2(CCC(CC(=O)O)CC2)CC1 1776139375 CBKKGQJTYLGFPZ-UHFFFAOYSA-N 279.424 3.700 30 20 CHED Cc1c(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cccc1C(=O)O 1776086515 ZAWBMTGXDIEUMU-BEAPCOKYSA-N 298.386 3.917 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2Cl)CCS1 162936571 JJXBCWXCQOCVAI-UHFFFAOYSA-N 280.824 3.539 30 20 CHED COCCOc1ccc(C(=O)/C=C\c2ccsc2)cc1 206987751 INJKOVGDAVYSJQ-UQCOIBPSSA-N 288.368 3.669 30 20 CHED COc1cc(NCCCC(C)(C)C#N)ccc1F 160279565 DXLOYZIDRUAYMJ-UHFFFAOYSA-N 250.317 3.576 30 20 CHED Cc1cc(C#N)ccc1Cn1cc(-c2ccccc2)cn1 165520627 XCFAITVIPNTFOG-UHFFFAOYSA-N 273.339 3.779 30 20 CHED COCCC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 167200244 IYHKGYHRRUQHHX-UHFFFAOYSA-N 298.308 3.806 30 20 CHED CCCCCCCCC(=O)NCc1cccc(N(C)C)n1 152148902 CLOFFIWVNFKPNA-UHFFFAOYSA-N 291.439 3.514 30 20 CHED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CC#N)c2)C1 153689434 QRHYZZLQUKNRDK-BBRMVZONSA-N 286.375 3.634 30 20 CHED CC(C)(C#N)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 153835685 NLBPSUUXHCFMSB-KRWDZBQOSA-N 298.430 3.798 30 20 CHED CC(C)CCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CC1 154271618 RKACAFGAIHPDHC-UHFFFAOYSA-N 290.794 3.862 30 20 CHED COc1cc(C#N)ccc1CSCc1ccco1 154596960 IBGCQERCVOBZCE-UHFFFAOYSA-N 259.330 3.593 30 20 CHED C[C@H](CCc1ccccc1)Nc1cccc(C#N)c1 21030256 XKSQNTHCINBRAH-CQSZACIVSA-N 250.345 3.991 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccnc(Cl)c2Cl)C1 912389831 VUFNPLQNFWPRNB-JTQLQIEISA-N 299.201 3.817 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1Cl 8331386 RYQJEDYAOVYMLB-JTQLQIEISA-N 260.724 3.506 30 20 CHED C#Cc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 809602338 MOFBDCQJDJPEDP-QGZVFWFLSA-N 279.408 3.995 30 20 CHED C[C@@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H]1C 1148349600 SCAAPOCBLRWRDQ-CHWSQXEVSA-N 271.408 3.876 30 20 CHED C=CCN(CC=C)Cc1cc(Cl)ccc1OC 247915026 VSQRIUIMMHAMTO-UHFFFAOYSA-N 251.757 3.523 30 20 CHED C[C@H](c1cccs1)N(C)Cc1ccc(C#N)cc1F 42316514 BAWHMWYLHNLWHP-LLVKDONJSA-N 274.364 3.952 30 20 CHED COc1cccc([C@H](C)Nc2cccc(F)c2C#N)c1 36138869 QOLKTEPNYOGGMP-NSHDSACASA-N 270.307 3.879 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1c(F)cccc1F 37748261 LJZWTHRQBQKJHY-NSHDSACASA-N 272.298 3.687 30 20 CHED Cc1cc([C@@H](C)NCc2cccc(C#N)c2)c(C)o1 37748800 VSEABWNXDJNFDJ-GFCCVEGCSA-N 254.333 3.619 30 20 CHED Cc1nc2c(n1Cc1ccc(C#N)cc1Cl)CCCC2 162960403 LFJAMZPLWNUBHT-UHFFFAOYSA-N 285.778 3.644 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCc1cc(Cl)cc(Cl)c1 163150485 CAKSXDMJBBHZDW-JTQLQIEISA-N 299.201 3.687 30 20 CHED CCCCCSCCC(=O)Nc1ccccc1C#N 180726821 HWRRPEOTIKDOHI-UHFFFAOYSA-N 276.405 3.810 30 20 CHED CC[C@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)C1 71113573 DBWNPFYTPPXKMH-UONOGXRCSA-N 258.365 3.970 30 20 CHED C[C@@H](NCc1ccccc1)c1ccc(C#N)c(F)c1 346091483 YBTPXVQHOLRERC-GFCCVEGCSA-N 254.308 3.548 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(C(F)F)cc2)n1 308171192 ROEYNYCVTNUITH-UHFFFAOYSA-N 274.274 3.592 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 617787195 JBRIFINEWSEAPC-ZDUSSCGKSA-N 268.360 3.596 30 20 CHED CCc1ccccc1CNCc1ccc(C#N)cc1F 84201696 JILCBMQVENTADS-UHFFFAOYSA-N 268.335 3.550 30 20 CHED CCC[C@H](C#N)NC(=O)CCc1cc(Cl)cc(Cl)c1 532208357 ROBZFQSSBYOGOK-CYBMUJFWSA-N 299.201 3.734 30 20 CHED C=CC[C@H](CC)N[C@@H](C)CCc1ccc(OC)cc1 393794622 OEBMFNTVYDCCPC-HOCLYGCPSA-N 261.409 3.961 30 20 CHED N#CCCCCSc1ccc2c(c1)OCCCO2 105987533 CBGSPYPMPAOBSW-UHFFFAOYSA-N 263.362 3.634 30 20 CHED N#Cc1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1 56355593 JZHNHFKJXIHPGN-INIZCTEOSA-N 283.375 3.745 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1oc2c(C)ccc(C)c2c1C 56412654 OSUYJZQHHRWURA-LLVKDONJSA-N 298.386 3.980 30 20 CHED CC(C)COc1ccccc1NC(=O)C1(C#N)CCCC1 55766809 ZQUYNWCFITZHDN-UHFFFAOYSA-N 286.375 3.744 30 20 CHED CCn1nccc1/C=C1\COc2ccc(C(C)C)cc2C1=O 178878735 JIJMDFOTRBEBJU-NTEUORMPSA-N 296.370 3.685 30 20 CHED C=CCn1c(SCCC)nnc1-c1ccc(F)cc1 59795714 KMMGSEPCOSXVPG-UHFFFAOYSA-N 277.368 3.772 30 20 CHED N#CCCCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 171523868 XTLSICXVJOKPRZ-VXGBXAGGSA-N 298.169 3.944 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC[C@@H]1CCCCO1 110718699 CQUPFLVAAAJLAY-INIZCTEOSA-N 294.439 3.514 30 20 CHED CCN(C(=O)Nc1ccc(CC#N)cc1)C1CCCCC1 111715132 YDXOGARYFZLQSL-UHFFFAOYSA-N 285.391 3.939 30 20 CHED C=CC1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 110363589 QUBVFMLWTPMGTI-UHFFFAOYSA-N 282.387 3.525 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccc(Cl)nc1 69221462 WTQRSNWVYJPJSO-UHFFFAOYSA-N 288.753 3.510 30 20 CHED CC1(C)CCCN(c2nc(Cl)c(C#N)s2)CC1 310266688 MOBMKQVFEAUWJB-UHFFFAOYSA-N 269.801 3.685 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(F)cc(F)cc1F 174241105 AVEHJPLWIBRXSJ-UHFFFAOYSA-N 272.270 3.534 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccc(F)cc1F 177871542 NHWZGEXXVWKSAJ-SECBINFHSA-N 271.332 3.601 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CC)c1ccccc1OCC 172065876 NTQHAWFDMUGANE-UKRRQHHQSA-N 290.407 3.800 30 20 CHED C=C(Cl)CN1CCS[C@@H](C)[C@@H]1c1ccccc1 303693276 MNZGIWIDSMZVNG-GXTWGEPZSA-N 267.825 3.918 30 20 CHED C=CCCCC(=O)N[C@@H]1CCC[C@@H](SCC)C1 176758707 IBLRXBLRAAERFW-CHWSQXEVSA-N 255.427 3.523 30 20 CHED C=CCS[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 114756911 LBRHHBAVPBGMAA-SNVBAGLBSA-N 299.823 3.903 30 20 CHED C#Cc1cccc(N(C(=O)Cc2ccsc2)C(C)C)c1 170844624 PWKGYCSZIBIHNT-UHFFFAOYSA-N 283.396 3.714 30 20 CHED N#Cc1ccc(N2CCCC[C@H]2Cc2ccccc2)nc1 301572129 LDDVYCHMPSYNAM-KRWDZBQOSA-N 277.371 3.555 30 20 CHED CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(C#N)cc1 172997954 WGBPEOATBCGNHL-UHFFFAOYSA-N 297.333 3.770 30 20 CHED Cc1cnc([C@H](C)CNc2c(F)cc(C#N)cc2F)s1 302117515 DJKJPZXVMSVSDT-MRVPVSSYSA-N 293.342 3.817 30 20 CHED CN1CCCN(CCCC(C)(C)C#N)c2ccccc21 174869313 NUCJTHUSMWSCDE-UHFFFAOYSA-N 271.408 3.663 30 20 CHED C=C(C)[C@@H](Cc1nnc(-c2ccccc2C)o1)OCC 1349933411 CTDZYUACYWLPGQ-CQSZACIVSA-N 272.348 3.569 30 20 CHED CN(CC[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1C#N 302730121 VGKDNDMEYLRJOK-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C=CCCCC(=O)NCC1(c2ccc(Cl)cc2)CC1 175537806 QBCNTHURTQYWPA-UHFFFAOYSA-N 277.795 3.844 30 20 CHED N#Cc1ccccc1SCc1nc(-c2cccs2)no1 172679864 JIDUCTHCUAFKJT-UHFFFAOYSA-N 299.380 3.962 30 20 CHED Cc1cc(C)cc(NC(=O)COc2cc(C#N)ccc2C)c1 123049533 BNQVJTZWALHUGE-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CCO[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)C12CCCC2 302669393 KEJGZVPEPGAJFS-JKSUJKDBSA-N 295.386 3.580 30 20 CHED CC(C)(C)SCCOc1cccc(F)c1C#N 304387286 KMBZTFSGRVGMFS-UHFFFAOYSA-N 253.342 3.608 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2ncccc2C#N)C1 301289873 PUQTVAUHDXBHDK-SFHVURJKSA-N 277.371 3.511 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c(C)c1 75270095 JICZTSGUZCZRBM-AWEZNQCLSA-N 278.355 3.666 30 20 CHED CSCCCCCCN[C@@H]1CCC[C@@H](C#N)C1 185897068 CZAOJVZHTYZOPK-ZIAGYGMSSA-N 254.443 3.582 30 20 CHED CCCC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CC1 505660358 LICDXVXJTNWGLS-CYBMUJFWSA-N 276.767 3.601 30 20 CHED CO[C@@]1(C)CCCN(c2ccc(Cl)cc2C#N)CC1 280262494 OCCDEXBWNKGNKF-HNNXBMFYSA-N 278.783 3.607 30 20 CHED N#Cc1c(F)cccc1NCCCc1nc2ccccc2[nH]1 73109851 WYVKOTBMAWXETF-UHFFFAOYSA-N 294.333 3.618 30 20 CHED CCOc1ccc(CNc2cccc(C#N)c2C)cc1 500768668 UZOZECBPTMYHSS-UHFFFAOYSA-N 266.344 3.878 30 20 CHED N#CCCSCc1ccccc1CSCCC#N 413013622 OOJXDQKBYMLXKI-UHFFFAOYSA-N 276.430 3.980 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](CC)CC#N)c1ccccc1 187613326 XCMPBXQPNJLORA-HZPDHXFCSA-N 270.376 3.545 30 20 CHED Cc1ccc(-c2nnc(S[C@H](C)CCC#N)o2)cc1 188250696 FVHZOERAFYCWMD-LLVKDONJSA-N 273.361 3.829 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 502573340 WPEFUNQPOGZBFA-NXEZZACHSA-N 264.756 3.832 30 20 CHED CCC(CC)(CC)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 413514752 MJTGEPNQWWLLBT-JKSUJKDBSA-N 284.403 3.747 30 20 CHED C[C@@H](Cc1ccncc1)Nc1ccc(Cl)cc1C#N 487633319 MIZZASZYEZCVDS-NSHDSACASA-N 271.751 3.650 30 20 CHED Cc1cc([C@@H]2CCCN2CCCCC(C)(C)C#N)on1 336828170 VNJHZDNFPMIJFK-AWEZNQCLSA-N 275.396 3.840 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2ccsc2)cc1 180444905 KOLNOPIZKHJLFT-FARCUNLSSA-N 271.341 3.603 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C(C)(C)C)ccc1O 184764559 HSLMBVPBUXWIRF-UHFFFAOYSA-N 273.376 3.678 30 20 CHED C[C@@H](CC(F)F)C(=O)Nc1ccc(C(C)(C)C#N)cc1 411356581 LLEQJIDQGSHQHX-JTQLQIEISA-N 280.318 3.718 30 20 CHED Cc1nnc([C@@H](C)Sc2cccc(C#N)c2)s1 181767632 MUENUANFNOVXNF-MRVPVSSYSA-N 261.375 3.572 30 20 CHED N#Cc1cc(N(C#N)CC2CCC(F)(F)CC2)ccc1F 412996739 GTKMRCHAWJBQTE-UHFFFAOYSA-N 293.292 3.810 30 20 CHED C=CCC1(C(=O)N(C)CCCOc2ccccc2)CCC1 188541676 HKYJXWFJVRRDNR-UHFFFAOYSA-N 287.403 3.660 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(Br)c1 454142218 TWCUURQZJAVZLB-UHFFFAOYSA-N 283.169 3.537 30 20 CHED C=C(C)CN(C)C(=O)c1cc(F)c(Cl)cc1Cl 180408275 MUWLEOJJZUWKHM-UHFFFAOYSA-N 276.138 3.781 30 20 CHED CCC[C@H](C)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416093626 DMKPYJLDWVJOJF-GUYCJALGSA-N 284.403 3.878 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2cccc(F)c2F)cc1 182725458 VMGBBDIZTKTNSD-RMKNXTFCSA-N 288.249 3.559 30 20 CHED CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 412308084 NBTGBYOXSLOTPF-IXDOHACOSA-N 296.414 3.699 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 185660267 CBCSDCDJQQXLHS-AWEZNQCLSA-N 271.404 3.518 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc(-c2ccccc2)nn1 187998216 ZTLUNLHIOGPGAM-SFHVURJKSA-N 295.386 3.709 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1Cc1ccccc1 44809993 WFLFZFZKHKHJLZ-HNNXBMFYSA-N 278.355 3.766 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(-c2nc(C)cs2)c1 132823573 SYUXSSIOBSXNQQ-UHFFFAOYSA-N 298.411 3.933 30 20 CHED Cc1ccc(Cl)cc1C(=O)N(CCC#N)CC(C)C 228448152 LGOXPGUTFPSTTB-UHFFFAOYSA-N 278.783 3.660 30 20 CHED CN(CCCOc1ccc(F)cc1)Cc1ccc(C#N)cc1 46527513 IZZMCPXINZYOIC-UHFFFAOYSA-N 298.361 3.598 30 20 CHED C=CCC1(C(=O)N(C)c2cnc3ccccc3n2)CCCC1 410877127 OKJGPDGZBFIIQT-UHFFFAOYSA-N 295.386 3.729 30 20 CHED N=C(O)[C@@H]1CC[C@H](/C(O)=N/[C@@H]2CCCCC23CCCC3)O1 329637106 VMMAXODOPZWFHB-YNEHKIRRSA-N 294.395 3.529 30 20 CHED C=CCC(CC=C)C(=O)Nc1nccn1-c1ccccc1 193198146 WULCXJOBQAJOFD-UHFFFAOYSA-N 281.359 3.579 30 20 CHED O/C(CC1CCCCCC1)=N/CCc1ccon1 329108686 POSHGQAAIUJXEV-UHFFFAOYSA-N 250.342 3.534 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 136163500 BNHIFJALJSGHFK-QIYSSYPNSA-N 288.435 3.647 30 20 CHED C=CCSCCNC(=O)CCc1ccc(C(C)C)cc1 195728562 YVGGCCXGSWYYGB-UHFFFAOYSA-N 291.460 3.778 30 20 CHED N#Cc1nn(CCCc2cccc(F)c2)c2ccccc12 427245014 YAZWKDCTKXMGRT-UHFFFAOYSA-N 279.318 3.680 30 20 CHED N#C[C@H](C(=O)/C=C/c1ccc(Cl)s1)c1ccccn1 49457322 HPXNFAWHLJUREG-MALLOTDXSA-N 288.759 3.686 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N[C@@H]1CC[C@H](C#N)C1 424321193 HAZXXDHZYHYXPV-YESZJQIVSA-N 256.393 3.598 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](c1cccnc1)C(C)C 135104222 BNJHYXNDZSYECC-WBVHZDCISA-N 274.408 3.540 30 20 CHED C[C@@](C#N)(NC(=O)C1CCCCC1)C1CCCCC1 519855178 ASFOJJUKJZFHLT-INIZCTEOSA-N 262.397 3.545 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)CCCc1cccnc1 424886898 FBWDLKVGWQWBNQ-CQSZACIVSA-N 274.408 3.511 30 20 CHED N#Cc1c(N[C@H]2CCc3ccccc32)ncc2c1CCC2 425208539 NAUYCOSOFOYVSB-KRWDZBQOSA-N 275.355 3.541 30 20 CHED COCCOc1ccccc1/C=C/C(=O)c1cccc(C)c1 83535562 JSBZKCUPCKISKL-ZHACJKMWSA-N 296.366 3.916 30 20 CHED N#Cc1ccc(CN(C2CCCCC2)C2CC2)cc1 48008810 YBJPIKYHDUVHKU-UHFFFAOYSA-N 254.377 3.855 30 20 CHED CCC[C@H](C)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 89631931 ZWGVWNSYMRTDNR-DZGCQCFKSA-N 290.407 3.654 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(F)c2Cl)C1 80335040 DKUZGODAZZSJKC-MEBBXXQBSA-N 294.757 3.681 30 20 CHED CC1=C(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CCC1 336153605 NBPIEURGGSEJFQ-AWEZNQCLSA-N 274.751 3.521 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(F)cc(F)c2)c1 88305080 HRJDNCKWDOJFIM-AATRIKPKSA-N 274.266 3.870 30 20 CHED CC(C)[C@H](C)S[C@H]1CCN(c2sccc2C#N)C1=O 83093503 QTEAIROUNAJTJT-JQWIXIFHSA-N 294.445 3.503 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccco1 334536078 BUJQUAOHDQLLQM-QGZVFWFLSA-N 266.344 3.709 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(Cl)s2)no1 334651477 MVOWMMVHESRSJB-SFYZADRCSA-N 282.752 3.510 30 20 CHED CCc1ccc(/C=N/OCc2nc(C)cs2)cc1 88509274 OZUUWNFLCOYMPI-OVCLIPMQSA-N 260.362 3.565 30 20 CHED C=CCCCCCN1CCc2c(cccc2NC(C)=O)C1 193315118 ZORFVCBZXWMJDQ-UHFFFAOYSA-N 286.419 3.750 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(O)=Nc1cc(OC)ccc1OC 330625228 HHLQVALJVUOLEH-VXGBXAGGSA-N 292.379 3.512 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(NC(=O)C(C)C)c1 424583181 LVKBJBDSLSDTIZ-UHFFFAOYSA-N 288.391 3.822 30 20 CHED N#Cc1ccc(NC[C@H]2CCC[C@H](N)C2)cc1C(F)(F)F 420285340 PNZXANHEPQHENX-JQWIXIFHSA-N 297.324 3.506 30 20 CHED CC1(C)CCCN1C(=O)Nc1ccc(CC#N)cc1Cl 335583874 LWDXZNUOUDPSIV-UHFFFAOYSA-N 291.782 3.812 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(F)c2)c(F)c1 98068770 QKPGIKRCANTHMY-VMPITWQZSA-N 274.266 3.870 30 20 CHED CC(C)CC1(CNC(=O)N2CCC(C)(C#N)CC2)CCC1 332484929 QZSWDNCFAKLTDS-UHFFFAOYSA-N 291.439 3.538 30 20 CHED CC#CCNC(=O)c1cccc(F)c1Sc1ccccc1 512001222 JFPPTHPWFNBFFZ-UHFFFAOYSA-N 299.370 3.730 30 20 CHED COc1ccc([C@H](C)NCc2cc(C#N)ccc2F)cc1 90340316 IPYPUHYWPOJGRM-LBPRGKRZSA-N 284.334 3.557 30 20 CHED Cc1ccc2c(C(=O)N(C)C3(C#N)CCC3)csc2c1 336086175 NRMPNLHBBQRYSH-UHFFFAOYSA-N 284.384 3.728 30 20 CHED Cc1cc2c(N(CCC#N)CCC(C)C)ncnc2s1 90137805 DVZKEBBCFKXTDG-UHFFFAOYSA-N 288.420 3.766 30 20 CHED COc1ccccc1C(C)(C)N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331220161 JFNSLEPKVOPRSR-CHWSQXEVSA-N 290.407 3.623 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C(F)(F)F)nc1 439462764 NVUUALDTDMXQKC-VIFPVBQESA-N 287.285 3.577 30 20 CHED Cc1cc(Cl)cc(/C(O)=N/[C@@H](C(=N)O)C(C)(C)C)c1 331048435 JOZLYTRWDHIYDS-NSHDSACASA-N 282.771 3.903 30 20 CHED CC(C)C1CCC(N(C)C(=O)C2(C#N)CCCC2)CC1 433028969 QRWBLTXYKPAXPY-UHFFFAOYSA-N 276.424 3.744 30 20 CHED C=C1CCN(Cc2ccc3nc(C)ccc3c2)CC1 438120716 WXHQVFPXMLFHKH-UHFFFAOYSA-N 252.361 3.695 30 20 CHED N#CCC1(CN[C@H]2CCCc3c2[nH]c2ccccc32)CC1 344124541 XECHEKMPNRLJQZ-INIZCTEOSA-N 279.387 3.829 30 20 CHED C=CCC[C@@H](O)CN[C@@H](CC(F)(F)F)c1ccccc1 341571949 IQCBUIARECZIFX-KGLIPLIRSA-N 287.325 3.597 30 20 CHED C=CC1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 600684342 GYDRXDHEGYYJBY-GFCCVEGCSA-N 292.810 3.565 30 20 CHED Cc1ccc(-c2cccc([C@@H]3CCNC3)c2)c(C#N)c1 600775564 JTHGJZFANLVYNX-MRXNPFEDSA-N 262.356 3.611 30 20 CHED C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C#N)cc1OC(F)F 437142950 CMZNFJAKALOWRM-VXGBXAGGSA-N 294.345 3.923 30 20 CHED C=C[C@H]1CCCCN1c1nccc(Oc2ccccc2)n1 432828754 MKFBGQJFKXDXKB-AWEZNQCLSA-N 281.359 3.814 30 20 CHED Cc1csc(CON=Cc2ccccc2OC(F)F)n1 255008733 NUFNQDFCHPMHKL-UHFFFAOYSA-N 298.314 3.604 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCC1(C(F)(F)F)CCC1 343913061 NECRURHFBNRALO-UHFFFAOYSA-N 299.252 3.611 30 20 CHED C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@H]1c1ccccc1 437574239 AVZQFKPUSSWEDS-DNVCBOLYSA-N 279.358 3.870 30 20 CHED CC(=NOCC(C)C)c1nc2ccccc2n1C(F)F 255577033 SVJUUKIBPKCRDD-UHFFFAOYSA-N 281.306 3.828 30 20 CHED CC(C)(CCC#N)CNC(=O)C[C@H]1C[C@@H]1c1ccccc1 345990514 JFWRRLOWWMFSEQ-HZPDHXFCSA-N 284.403 3.626 30 20 CHED N#Cc1ccnc(SC[C@@H]2CCCCC2(F)F)c1 295676388 GNJYZLHEPHCMTP-NSHDSACASA-N 268.332 3.871 30 20 CHED N#CCC1(CN2CCC[C@H]2c2cccc(F)c2)CC1 602768228 LMGQNSLMDNLIAK-HNNXBMFYSA-N 258.340 3.656 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@H](C)CC(C)(C)C 608822967 BNJHJLGIZNWEGK-QWHCGFSZSA-N 252.402 3.503 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 604880260 LFDUEXAGHPRWFT-GJZGRUSLSA-N 289.419 3.967 30 20 CHED CCc1c(C)sc(NC(=O)[C@H](C)c2cccnc2)c1C#N 348169751 NWHGYIALCOJXDF-SNVBAGLBSA-N 299.399 3.628 30 20 CHED C=CC[C@@H]1N(C(=O)CCCOC(C)C)CCCC1(C)C 347493826 WPYAGDYEZAZYNK-HNNXBMFYSA-N 281.440 3.785 30 20 CHED CC(C)c1cccc2c1OC/C(=C/c1cccnc1)C2=O 255334594 AURFASYWDJAWOT-ZROIWOOFSA-N 279.339 3.864 30 20 CHED CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCC1 521403137 BWQDAKOGWMZCTG-RCCFBDPRSA-N 296.414 3.747 30 20 CHED Cc1cccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C(C)C)c1 527911840 SPDQYODJUMGVKO-UAGQMJEPSA-N 256.393 3.974 30 20 CHED CCc1cnc(SCC#Cc2cccc(Cl)c2)[nH]1 448101463 OQBXPTLQFJZSBD-UHFFFAOYSA-N 276.792 3.769 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 529475438 XWXWPEYFAGAKFW-HZSPNIEDSA-N 264.413 3.647 30 20 CHED C=CCCCSCCCn1c(O)nc2ccccc21 609805019 KXFSWVWARSYXSN-UHFFFAOYSA-N 276.405 3.831 30 20 CHED C[C@@H](CC#N)N(C)c1ncnc2sc3ccccc3c12 440661810 QOIFMLSXVFNKIW-JTQLQIEISA-N 282.372 3.583 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 540396555 JNNQAOZXQXHFOD-RYUDHWBXSA-N 287.325 3.541 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)O[C@@H]1CC[C@H](C#N)C1 255122330 TVMMJCGHBYBVNC-CTFRTPTRSA-N 289.762 3.979 30 20 CHED COc1ccc(CON=Cc2ccccc2F)cc1F 255303596 HMGYHUCPSKTITO-UHFFFAOYSA-N 277.270 3.524 30 20 CHED CCCOc1cc(/C=C\C(=O)c2ccco2)ccc1OC 255495687 OIOPVHKWMOVKDV-VURMDHGXSA-N 286.327 3.973 30 20 CHED COc1ccc(C#N)cc1NCC#Cc1cccc(Cl)c1 448079188 ZXDHHXTWNDKVJO-UHFFFAOYSA-N 296.757 3.684 30 20 CHED CCN(CCC#N)Cc1ccc(C(F)(F)F)cc1C 443406896 GLSUNFNMMSVZIN-UHFFFAOYSA-N 270.298 3.749 30 20 CHED CC(=O)c1ccc(OC(=O)C2(C#N)CCCCC2)c(C)c1 263989697 HHOBXSRGQPAWOU-UHFFFAOYSA-N 285.343 3.577 30 20 CHED C=CCC[C@H](N[C@H]1CCO[C@@H](CC(C)C)C1)C1CC1 538580747 FXKPFNKJZUEENR-ULQDDVLXSA-N 265.441 3.915 30 20 CHED C=CCC1(CNCc2ccc(NC(C)=O)cc2)CCCC1 449607184 WLETYQLYIGCNCZ-UHFFFAOYSA-N 286.419 3.871 30 20 CHED C=CCn1c(SC[C@@H](F)CC)nnc1-c1ccoc1C 440565687 AXIBHXGMHPTNMC-NSHDSACASA-N 295.383 3.873 30 20 CHED CC(C)=CCCN[C@@H]1CCCc2cc(C#N)ccc21 616355495 VHXVZESDBCDINU-QGZVFWFLSA-N 254.377 3.882 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cc2cc(Cl)ccc2o1 538407208 PAJCCHQKXSUUOH-NEPJUHHUSA-N 293.794 3.921 30 20 CHED C=CC[C@H]1N(C(=O)NC[C@H]2CCCS2)CCCC1(C)C 445106582 GAHXWVFXHXBCTR-ZIAGYGMSSA-N 296.480 3.658 30 20 CHED CCc1oc2ccccc2c1CN(C)c1cnccc1C#N 354566989 WCKKEYZGXZUAHN-UHFFFAOYSA-N 291.354 3.898 30 20 CHED CC(C)n1cc(/C=C/c2nc3ccccc3n2CC#N)cn1 352009745 YJQGJQCCLLUYRP-BQYQJAHWSA-N 291.358 3.508 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1ccc(CC#N)cc1 535332703 LKHNYMHYRQBXAX-UHFFFAOYSA-N 292.382 3.723 30 20 CHED CC(C)(C)OCc1cccc(CNc2ccc(C#N)cn2)c1 263777375 UTIQNGBBRSVCER-UHFFFAOYSA-N 295.386 3.880 30 20 CHED C=CCN(C(=O)Cc1ccc(CCCC)cc1)C1CC1 536819802 GCTQOKCEHNJLPZ-UHFFFAOYSA-N 271.404 3.749 30 20 CHED CC1(C)C[C@@H]1c1noc(-c2cccc(SCC#N)c2)n1 355874102 PGHAYQAYQLWSED-GFCCVEGCSA-N 285.372 3.866 30 20 CHED C[C@H](SC[C@H]1CCCOC1)c1ccc(C#N)cc1 532879570 ZQZNEVVRLPMCGN-JSGCOSHPSA-N 261.390 3.779 30 20 CHED N#CCCN(CC1CC1)C(=O)/C=C/c1cc2ccccc2o1 264022331 GWMLGUYQXYJBCJ-CMDGGOBGSA-N 294.354 3.598 30 20 CHED CSc1cccc(C)c1NC(=O)NCC(C)(C)CC#N 459501335 CZWWISOLBNWYOT-UHFFFAOYSA-N 291.420 3.778 30 20 CHED CC[C@@H]1CN(CC2(C#N)CC2)CC[C@H]1c1ccccc1 539451289 LCMPSEXLYOTWPP-NVXWUHKLSA-N 268.404 3.806 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]([C@H]2CCCCO2)C1 619189625 DXULQSWCCCMHQY-DLBZAZTESA-N 291.435 3.563 30 20 CHED CCSCCN(Cc1ccc(C#N)cc1)CC(C)C 610215538 NXYLXBNXKWIBHP-UHFFFAOYSA-N 276.449 3.769 30 20 CHED CCCCN1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 538395301 JPRXQEIAHGICNH-LPHOPBHVSA-N 299.462 3.863 30 20 CHED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCCCO1 613429001 DROPRWJRRIOBQA-JSGCOSHPSA-N 287.407 3.620 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(Cl)cc1OCC 450204757 WHOOQRRFFVMYTB-UHFFFAOYSA-N 281.783 3.567 30 20 CHED Cc1cc(CN[C@@H]2COc3c(Cl)cccc32)ccc1C#N 618194601 BWKXSWRCXCJSRR-MRXNPFEDSA-N 298.773 3.743 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1cccs1 455303348 AOEIBXRGWKKUNO-LBPRGKRZSA-N 264.394 3.561 30 20 CHED CC[C@@H](NCc1cccc(COC)c1)c1ccc(C#N)cc1 278336603 WXYIOFLRLXKTMW-LJQANCHMSA-N 294.398 3.946 30 20 CHED C=CCOc1ccc(CC(=O)N2CCCC3(CCC3)C2)cc1 451319078 GXWJTBZSJCHUAJ-UHFFFAOYSA-N 299.414 3.587 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)c1cccc(C#N)c1 610340226 GIQHZIQOOIUKBK-SNVBAGLBSA-N 282.734 3.651 30 20 CHED C[C@@H](NC(=O)N[C@H](C)c1cccs1)c1cccc(C#N)c1 610347189 UQNGEZCJQISYEG-VXGBXAGGSA-N 299.399 3.741 30 20 CHED CCC[C@@H](Cc1ccccc1)NCC(C)(C)CC#N 459659989 AOWLOJVDNVFFMO-INIZCTEOSA-N 258.409 3.927 30 20 CHED C=CCN(C(=O)c1cc(CCC)c(C)s1)[C@H](C)COC 617576455 UFRHNLTVGLLNEG-GFCCVEGCSA-N 295.448 3.672 30 20 CHED N#Cc1ccc(CNCc2ncoc2-c2ccccc2)s1 360035811 KQILVECGUVIYTH-UHFFFAOYSA-N 295.367 3.565 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CC23CCSCC3)CCCC1 456506994 NOERMBOIAZLTHD-AWEZNQCLSA-N 293.476 3.772 30 20 CHED CCC[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C1CCC1 458348729 YYHHFTQNWHFPCR-OAHLLOKOSA-N 290.794 3.910 30 20 CHED CC[C@H](NCCc1ccc(O)cc1)c1ccc(C#N)cc1 278710301 LNNFTMFVBVNHSY-SFHVURJKSA-N 280.371 3.547 30 20 CHED C=CCCN1CCC(Cc2ccc(F)c(F)c2)CC1 545974898 DMUHLRBYONJRRB-UHFFFAOYSA-N 265.347 3.795 30 20 CHED C=C(C)CCNC(=O)c1sc(C)cc1Br 457836895 NPYVNJVYEZKRAN-UHFFFAOYSA-N 288.210 3.515 30 20 CHED C=CC(C)(C)C(=O)Nc1nc2cc(C)ccc2n1CC 450415015 AAXXQTBDDDVKSW-UHFFFAOYSA-N 271.364 3.515 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 276113050 DKFGIPUQEGPHMA-INIZCTEOSA-N 290.382 3.803 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(F)c(OC)c2)no1 273864430 SEIQOBDYRYJPNJ-SNVBAGLBSA-N 292.310 3.538 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)NCC(C)(C)CC#N 458246173 GMVYLYPBSRDWPE-ZIAGYGMSSA-N 279.428 3.584 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@](C)(C#N)CCc2ccccc2)C1 542896559 VZIAVXXYJCJDBJ-LPHOPBHVSA-N 298.430 3.844 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(CC#N)cc1 270334988 MVYDJEZAIVPLLH-PBHICJAKSA-N 284.403 3.793 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC1CCC1 376783146 RBKSFVIKFFVKBS-MSOLQXFVSA-N 296.414 3.865 30 20 CHED CC#CCCCC(=O)Nc1cccc2c1CN(CC(C)C)C2 274359276 HZXDFTYLHYYVGH-UHFFFAOYSA-N 298.430 3.790 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(OC(F)F)c1 466366502 IFWKMEDPZVQZPN-SNVBAGLBSA-N 284.306 3.764 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@]1(C)CCc2ccccc2C1 466546772 ZFUOBELDCLVVNO-WMZOPIPTSA-N 271.404 3.653 30 20 CHED Cc1cc(Cl)cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c1 464162708 CWGXJIMYQQBOFX-HNNXBMFYSA-N 278.783 3.707 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1cccc2[nH]ccc12 466389666 ADVUDOMBGUFNKR-AWEZNQCLSA-N 285.391 3.664 30 20 CHED CC#CCNc1ccc(COc2ccccc2)cc1 540615326 UHFVDCSCFVOQCZ-UHFFFAOYSA-N 251.329 3.701 30 20 CHED FC(F)(F)c1ccc(C#CCN2C[C@H]3CCC[C@@H]3C2)cc1 464887504 NHRYWWOPIRARRB-HUUCEWRRSA-N 293.332 3.789 30 20 CHED C=CCOCc1nc(Cc2cccc3ccccc23)no1 546315991 IFBSVZVSTHBXHC-UHFFFAOYSA-N 280.327 3.516 30 20 CHED Cc1oc(C#N)cc1-c1nc(CC2(C)CCCC2)no1 289233998 WUABZOQPWJWEPO-UHFFFAOYSA-N 271.320 3.633 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1c(F)cncc1F 285738372 RGECNRMPJLZKPW-HBNTYKKESA-N 254.324 3.611 30 20 CHED Cc1cccc2c1N(C(=O)[C@H](C)c1cccc(C#N)c1)CC2 463581798 GABPJECICBOVPB-CQSZACIVSA-N 290.366 3.560 30 20 CHED C[C@@H](CNC1(c2cccc(C#N)c2)CC1)c1ccccc1 551712507 GNQXXYLFOXRZRJ-HNNXBMFYSA-N 276.383 3.941 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](SC)c1ccccc1 281017985 GHXACNIJYCBHEA-ZIAGYGMSSA-N 263.406 3.562 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)c1c(F)cccc1F 281159935 WSQAWLGVWFHACY-MNOVXSKESA-N 267.319 3.539 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(F)c1C 281362784 MDGPEJFOUABSIU-LLVKDONJSA-N 250.317 3.610 30 20 CHED CCc1ccc(/C=N/OCc2scnc2C)cc1 289444948 UFSNOMPSCAFZLD-LZYBPNLTSA-N 260.362 3.565 30 20 CHED C[C@@]12CCN(Cc3ccccc3C#N)C[C@H]1C2(Cl)Cl 284922138 VVSNMYNIFSYLPY-ZIAGYGMSSA-N 295.213 3.574 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cccc(Nc2cnn(C)c2)c1 467759618 PJXAAAOYQVZCQH-CYBMUJFWSA-N 298.390 3.705 30 20 CHED Cc1cccc2cc(C(=O)N(CCC#N)CC3CC3)sc12 289983918 SHNXEPXPDAAIPA-UHFFFAOYSA-N 298.411 3.976 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1c(F)cncc1F 285738366 RGECNRMPJLZKPW-GARJFASQSA-N 254.324 3.611 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc2nc(C)ccc2c1 280543016 DBQAHOZRGNUIGT-IEBWSBKVSA-N 296.414 3.614 30 20 CHED C=CCN(Cc1ccccc1)c1nc(C(F)(F)F)ns1 557647767 YPPGWEISSWCBJK-UHFFFAOYSA-N 299.321 3.750 30 20 CHED C=CCC(CC=C)C(=O)NCC1(c2cccc(OC)c2)CC1 290249426 APMUANIQRHIRAS-UHFFFAOYSA-N 299.414 3.611 30 20 CHED CCN(Cc1ccc(Cl)cc1)C(=O)C1(C#N)CCCC1 298321930 FOLXGPDFDCAMOS-UHFFFAOYSA-N 290.794 3.772 30 20 CHED N#C[C@]1(C(=O)Nc2cccc(F)c2Cl)CC12CCCC2 297876141 UMLIHACGKAOEIT-HNNXBMFYSA-N 292.741 3.892 30 20 CHED Cc1cccc2cc(C(=O)OC[C@@H](C)C#N)sc12 808992195 PXNCLWFUEFUNGP-VIFPVBQESA-N 259.330 3.526 30 20 CHED C=CCN(C/C=C/c1ccc(F)c(F)c1)C(C)C 809547042 JLAGQKFQADLJLS-AATRIKPKSA-N 251.320 3.874 30 20 CHED C=CCCCC(=O)N[C@H](C)CSc1ccc(C)cc1 472297827 STHJWQJWARHEBD-CQSZACIVSA-N 277.433 3.948 30 20 CHED CCCCCCCCC(=O)N1C[C@@H](N2CCCC2)C[C@H]1C 804523868 DDEXGKYAXHQVBV-SJORKVTESA-N 294.483 3.822 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCC[C@H](SCC)C1 474042833 YESJABWFRSUSLU-KGLIPLIRSA-N 284.469 3.706 30 20 CHED C=CCC(C)(C)C(=O)N1CCCn2c(cc3ccccc32)C1 294155053 VPKNENBUZGKPLE-UHFFFAOYSA-N 296.414 3.976 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 475681221 ZGFXFPBYVVOQCM-LSJOCFKGSA-N 297.185 3.515 30 20 CHED C=CCSCCN[C@H](C)c1cc(Cl)cc(C)c1O 808706082 XINGJEMMKAYLCG-LLVKDONJSA-N 285.840 3.924 30 20 CHED Cc1ccc(-c2ccc(OCCO[C@@H](C)C#N)cc2)cc1 802726383 IYSJWAAUDUDVHH-HNNXBMFYSA-N 281.355 3.970 30 20 CHED CSC1(CNc2cccc(Cl)c2C#N)CCOCC1 297194303 QWGOOWJDCQAWNY-UHFFFAOYSA-N 296.823 3.536 30 20 CHED C=CCC(CC=C)c1nc([C@H](CCC)OC)no1 296485149 PHIAFEIYNJPZMX-LBPRGKRZSA-N 250.342 3.793 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)CCC(C)C)cc1 299266088 OQTVBCGQVIIAJE-UHFFFAOYSA-N 288.391 3.768 30 20 CHED C=C[C@@](C)(CC)c1nc(C2(COC)CCCCC2)no1 290112251 MKTFUKZMJJOJTM-HNNXBMFYSA-N 278.396 3.772 30 20 CHED N#Cc1cc(/C=C2\Cc3nc(Cl)ccc3C2=O)ccc1F 806578002 ZXTSGZHCBVKYCJ-BJMVGYQFSA-N 298.704 3.568 30 20 CHED N#Cc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1Cl 294620238 YRQSIQKLPGZRIM-MRXNPFEDSA-N 299.761 3.624 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@@H]2CCCF)o1 800811174 KDMHUDRJQNEQFL-LLVKDONJSA-N 292.358 3.987 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 474044818 NWVXEUTYECFVPT-MRXNPFEDSA-N 299.418 3.526 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C)cc([N+](=O)[O-])c2)n1 560023857 HHUDIWCPJFKDQJ-UHFFFAOYSA-N 287.319 3.807 30 20 CHED C=CCC(F)(F)C(=O)N(Cc1ccccc1)CC(C)C 815145351 ZLHQFNFWOBXICH-UHFFFAOYSA-N 281.346 3.883 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 489933789 LDPBQDQMOZTCCP-CABCVRRESA-N 281.440 3.546 30 20 CHED C=CCCC1(C(=O)N2C[C@H](C)Cc3ccccc32)CC1 483471673 RDMQJKRDMSQEFI-CQSZACIVSA-N 269.388 3.958 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(C#N)o1 814111002 LHJFWGYQYDJMIJ-UHFFFAOYSA-N 276.380 3.974 30 20 CHED CCC1(CC)CCN(C(=O)Nc2cccc(C#N)c2)CC1 486007414 UBEFUYNIYXHWHQ-UHFFFAOYSA-N 285.391 3.992 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C\c1cccs1 711634980 QIXHILKOHWSNCC-KHPPLWFESA-N 283.396 3.976 30 20 CHED CC(=NOC1CCCCC1)c1ccc(Cl)c(N)c1 814910572 XDDRQUUPHSRKDK-UHFFFAOYSA-N 266.772 3.996 30 20 CHED COc1cccc(NN=C(C)c2cccc(C3CC3)c2)n1 814900186 HZDZPRZFPCNVIU-UHFFFAOYSA-N 281.359 3.804 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(Cl)cc2F)no1 815700303 DTFUPUAZNJTORY-UHFFFAOYSA-N 278.714 3.830 30 20 CHED Cc1c(C(=O)N(C)CCC2CC2)sc2ccc(C#N)cc12 485101699 HQOQDPRSBZGIRC-UHFFFAOYSA-N 298.411 3.954 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)Cc1ccccc1C 810076556 IYLRCXAODUKALU-UHFFFAOYSA-N 291.394 3.568 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)c1cc2ccccc2o1 488601085 XWKQGMGMGVAZLF-ZDUSSCGKSA-N 294.354 3.911 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 486494078 ZMZBXRGCMDFTCM-BHYGNILZSA-N 286.419 3.977 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)Oc1ccccc1C 488876696 JFDTZEJZBXJQAU-HZPDHXFCSA-N 287.403 3.720 30 20 CHED Clc1ccc(C=NNCc2ccccc2Cl)o1 814813312 YAJZLUWDANNPLG-UHFFFAOYSA-N 269.131 3.710 30 20 CHED COc1ccc(NN=C[C@H](C)C2CCCCC2)nc1 814908848 DSKDBTPVQRAABK-LBPRGKRZSA-N 261.369 3.704 30 20 CHED N#Cc1ccc(CNN=CCC2CCCCC2)cc1 814882016 APLZXERCVINAFW-UHFFFAOYSA-N 255.365 3.604 30 20 CHED C[C@](C#N)(NC(=O)C1(F)CCCCC1)C1CCCCC1 813081059 IIHLJDCKEKEAEL-OAHLLOKOSA-N 280.387 3.638 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1C(=O)N[C@@H](C#N)C1CCCCC1 578843791 KAMMIYRNNCDRGA-ZIFCJYIRSA-N 296.414 3.553 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC1CCN(CC(=C)C)CC1 657876670 ZIKRJTYBTGQLIB-AEFFLSMTSA-N 276.468 3.751 30 20 CHED C=C(C)CN1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 483466840 BNPXZLJZFUBEBG-OALUTQOASA-N 284.447 3.549 30 20 CHED C[C@@H]1[C@@H](CNC(=O)c2ccc(CC#N)cc2)CCC[C@H]1C 482692438 SDNDUTHZUYUDCA-JKIFEVAISA-N 284.403 3.555 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H]2C[C@H]3CC[C@H]2C3)cc1 728714846 AZCFZRVGMCSLGP-BSWAZPDLSA-N 284.403 3.503 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1c(C)[nH]c2ccccc12 488874484 VBUOUQRDABJNJY-CQSZACIVSA-N 282.387 3.586 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 483969565 GEHYIZWXUOBWGI-CQSZACIVSA-N 286.419 3.844 30 20 CHED CCC(CC)CN(CC)C(=O)Nc1ccc(F)c(C#N)c1 481656357 JDXVQLYQFFVORN-UHFFFAOYSA-N 291.370 3.987 30 20 CHED CCCCCCCCCC(=O)Nc1nc(SC)n[nH]1 727486670 OLAYDPNLNHVTEC-UHFFFAOYSA-N 284.429 3.606 30 20 CHED C=CCCOC(=O)c1cc(Cl)c(OCCC)c(OC)c1 729073395 WXVDYXIDOGOQFW-UHFFFAOYSA-N 298.766 3.870 30 20 CHED C=C(CC)CSCCc1nc2ccccc2n1C 571678510 QZBHZKGSSVKNLN-UHFFFAOYSA-N 260.406 3.815 30 20 CHED CCON=C1c2ccc(Cl)c(Cl)c2O[C@H]1C 729932064 BDDBAFIQTYNPSP-LURJTMIESA-N 260.120 3.515 30 20 CHED C=CC[C@H](CO)CN[C@@H](CSc1ccccc1)C(C)C 495065696 KIUQOTNJYCZGEB-RDJZCZTQSA-N 293.476 3.578 30 20 CHED C[C@]1(CCN[C@@H]2CCC[C@H](C#N)C2)CC1(Cl)Cl 824971471 RLOILBZDHBHPTO-TUAOUCFPSA-N 275.223 3.632 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)c1ccc(Cl)cc1 651351462 GFHJFMRDYIVTEG-MNOVXSKESA-N 251.757 3.524 30 20 CHED C=CCCCCN[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 724103302 PJAWCHZCYQOULE-CABCVRRESA-N 296.455 3.626 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 490244466 KTDZAZAFXCDOFV-HRCADAONSA-N 287.403 3.663 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O 729641823 YTQZSEDSSYUMPQ-GHFCPETNSA-N 282.727 3.561 30 20 CHED CC(C)CCO[C@H](C)C(=O)Nc1ccc(C#N)cc1Cl 494640828 CUXLIRBWGXVMFD-LLVKDONJSA-N 294.782 3.601 30 20 CHED CCc1nc(CNc2cc(C#N)ccc2C(F)(F)F)co1 829183936 TXGSKQBSXGLXRU-UHFFFAOYSA-N 295.264 3.740 30 20 CHED Oc1ccccc1/C=N\Cc1cccc(OCC(F)F)c1 726428403 ALSWRFLEZXCCGK-GRSHGNNSSA-N 291.297 3.655 30 20 CHED N#CC1(CCCCOc2ccc([N+](=O)[O-])c(F)c2)CCC1 901475345 UMMNDKUHHPKBDU-UHFFFAOYSA-N 292.310 3.977 30 20 CHED C=C[C@H](CC)CC(=O)OCc1nc(C(F)(F)F)cs1 904765021 DFYSGOVRZKYYKA-MRVPVSSYSA-N 293.310 3.807 30 20 CHED N#CC1(CCCCOc2cccc(-n3ccnn3)c2)CCC1 902729092 KUVINLRIBIPYKJ-UHFFFAOYSA-N 296.374 3.510 30 20 CHED Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1F 583722675 IHJSGELDEMQOSH-SFHVURJKSA-N 280.346 3.783 30 20 CHED C[C@@H]1CCN(C(=O)CCCCCC#N)c2c(O)cccc21 589847885 VYZOTMYACZLVJM-CYBMUJFWSA-N 286.375 3.706 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc(C)c(F)c2)no1 903273345 XJBUJPIQWZLHLM-JSGCOSHPSA-N 288.322 3.633 30 20 CHED C[C@H]1CC(=NNc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)O1 834977193 RHJXYHSKEDKHLP-DTWKUNHWSA-N 297.280 3.542 30 20 CHED C#Cc1cccc(CN[C@@H](C)CCCc2cccnc2)c1 834902662 KFKHMJQXHGQLGX-INIZCTEOSA-N 278.399 3.564 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccc3ncccc3c2)c1 588615012 ZOSYMFGPCVECRA-UNOMPAQXSA-N 292.338 3.568 30 20 CHED N#CC1(CCN2CCC3(CCCC3=O)CC2)CCCCC1 661961840 QRAHPFNTXZOIPX-UHFFFAOYSA-N 288.435 3.686 30 20 CHED CCc1ccc(Oc2snc(C)c2C#N)c([N+](=O)[O-])c1 584676076 QZTQNWVSXGDVOY-UHFFFAOYSA-N 289.316 3.586 30 20 CHED C=CCCCOC(=O)C1(c2ccc(C)c(OC)c2)CCC1 735534082 GGDCYIGPUVVVAJ-UHFFFAOYSA-N 288.387 3.935 30 20 CHED CC#CC(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 837187151 CORJPSAVFCTCLR-UKRRQHHQSA-N 275.779 3.506 30 20 CHED C=CC[C@H]1CCCN(Cc2nnc(-c3ccccc3)s2)C1 661384356 IMQJPSQCNBPYCE-AWEZNQCLSA-N 299.443 3.993 30 20 CHED CCC[C@H](NC(=O)C#CC(C)(C)C)c1ccccc1 837324907 CSTGGVXLGRAUGK-HNNXBMFYSA-N 257.377 3.694 30 20 CHED C#CCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 832277278 IMVGOBNCMIRUAN-INIZCTEOSA-N 267.376 3.503 30 20 CHED Cc1csc(NC(=O)N[C@H]2CCCC2(C)C)c1C#N 584225296 MMXWPOCMYIYBJO-NSHDSACASA-N 277.393 3.628 30 20 CHED CC[C@H](CC(=O)OCc1cc(C#N)ccn1)c1ccccc1 908995280 NQKCAOVQKAJHQQ-OAHLLOKOSA-N 294.354 3.580 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccccc1C)C(C)C 734771006 CCBUYPJRDVIEHY-OAHLLOKOSA-N 259.393 3.912 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)C#CC(C)(C)C)c1 837364109 ANTAZZUIZZZGLP-ZDUSSCGKSA-N 273.376 3.852 30 20 CHED Cc1ccc(CNN=Cc2c(C)nn(C(C)C)c2C)cc1 901249240 VKVJYZKBDHUXNB-UHFFFAOYSA-N 284.407 3.513 30 20 CHED N#Cc1ccc(OC(=O)/C=C/C2CCCCC2)cc1 735420348 PPTJUINPEUGRFV-DHZHZOJOSA-N 255.317 3.600 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1c(Cl)c(C)nn1C)C2=O 901464893 ONQIZQJQGAPCHZ-XYOKQWHBSA-N 286.762 3.513 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H](C)c1cnccn1 906364535 RGWIOSJCLNQJBW-GJZGRUSLSA-N 291.439 3.693 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H](C)C2CCC2)c1 677370803 WUGYNNDQJSTTNH-CYBMUJFWSA-N 288.391 3.952 30 20 CHED COc1cccc([C@H](C)/N=C/c2c(O)cccc2OC)c1 917558625 RXLKOICSALDABK-HWQJWEFDSA-N 285.343 3.590 30 20 CHED C=CCN(C(=O)/C=C/c1nc2ccccc2s1)C(C)C 915147751 IJNVYSOTNFJXLV-MDZDMXLPSA-N 286.400 3.733 30 20 CHED O=C1/C(=C\c2ccnc3ccccc23)Cc2c(O)cccc21 731835811 RHUGUMRWZLDTDU-RAXLEYEMSA-N 287.318 3.763 30 20 CHED C[C@H](NC(=O)N(C)CCC(C)(C)C)c1ccc(C#N)cc1 591910728 GXIKOFQLDJHLEM-ZDUSSCGKSA-N 287.407 3.697 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1CCC2(CC1)CC2 597604259 DQSGTIRBYVQUBG-UHFFFAOYSA-N 283.375 3.509 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 835038670 XXBOFNAJEQFGLM-FHSNZYRGSA-N 295.386 3.576 30 20 CHED C=CCN(C(=O)CCc1ccc([C@H]2C[C@H]2C)o1)C1CC1 678495847 FFPNGAJYCFUTAO-DOMZBBRYSA-N 273.376 3.513 30 20 CHED N#CCCCCSCCc1c(F)cccc1F 592461102 QDBPVKDCDLIURE-UHFFFAOYSA-N 255.333 3.934 30 20 CHED N#Cc1ccc(OCCSCC2CC=CC2)cc1 596329447 FAVJPTMEIXVWQK-UHFFFAOYSA-N 259.374 3.636 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 593682739 JRGYDAGHBDBHSI-BBRMVZONSA-N 284.403 3.756 30 20 CHED Cc1occc1C=NNc1ncnc2sc3c(c12)CCC3 841608158 WCDIMEFYMBYDFX-UHFFFAOYSA-N 298.371 3.527 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc(C(F)F)cc1F 847731079 YUMMHDPHERLRSJ-SECBINFHSA-N 270.250 3.722 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cn1nc(C)cc1C 917873136 VXWHNWFQCUQKDO-AWEZNQCLSA-N 293.455 3.613 30 20 CHED Cn1c(NN=Cc2ccc(Cl)s2)nc2ccccc21 915967934 QAERRFSLAWWTRD-UHFFFAOYSA-N 290.779 3.734 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)Cc2ccccc2C)c1 917556922 RNESCRIVBPGPSE-BXUJETTOSA-N 283.371 3.759 30 20 CHED C=CCn1c(=S)n(CN2CCCCC2)c2ccccc21 914564887 KBLDEPXLJCMEDJ-UHFFFAOYSA-N 287.432 3.802 30 20 CHED C=C(Cl)CSCc1noc(-c2cccs2)n1 917952624 BCJPZXSJWAAYSV-UHFFFAOYSA-N 272.782 3.784 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CC34CCCC4)[nH]c12 747479643 OUBIQCMEJOVJAN-CHWSQXEVSA-N 293.370 3.628 30 20 CHED Cc1cc(NN=Cc2ccc(Cl)c(Cl)c2)nc(C)n1 915970965 WCMLTRCUSAWVDU-UHFFFAOYSA-N 295.173 3.846 30 20 CHED C[C@@H](Cc1ccc2c(c1)CCCC2)N[C@@H]1CC[C@H](C#N)C1 595042982 DEATVJUAUPCXBJ-URLQWDBASA-N 282.431 3.778 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 747105772 YXYBTEHLIKXEMN-MCIONIFRSA-N 295.386 3.956 30 20 CHED Cc1ncsc1/C=C\C(=O)c1c[nH]c2cc(F)ccc12 742435088 RZKSRUMCECVRLQ-PLNGDYQASA-N 286.331 3.968 30 20 CHED C#CCN(C)C(=O)Nc1ncc(-c2ccc(C)cc2C)s1 844662602 PBALDYFOBHPGKH-UHFFFAOYSA-N 299.399 3.524 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(CC#N)c2)C1(C)C 590884354 QENVUGRNEOEETR-HZPDHXFCSA-N 282.387 3.930 30 20 CHED C=C(Cl)COC(=O)c1cnc(-c2ccccc2)s1 915550709 ZLNOLNCFVKMDHS-UHFFFAOYSA-N 279.748 3.719 30 20 CHED CCN(C)c1ccc(CN(CCC#N)CC(C)(C)C)cc1 741754236 MAWBEZZFEHDKKF-UHFFFAOYSA-N 287.451 3.904 30 20 CHED CN(CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 592684838 SGXZPQFPXXXGFS-JKSUJKDBSA-N 284.403 3.556 30 20 CHED COc1cncc(/C=C\C(=O)c2csc(C(C)C)n2)c1 849249278 GOANRCNXJOZLOS-PLNGDYQASA-N 288.372 3.566 30 20 CHED C=C(C)CCOC(=O)c1[nH]c2ccccc2c1Cl 744302881 FTBKIYMZVPODAO-UHFFFAOYSA-N 263.724 3.944 30 20 CHED N#CC[C@H]1CCCN(C(=O)NCCC2=CCCCCC2)C1 595584229 FJHGRRLSSVOCCR-MRXNPFEDSA-N 289.423 3.602 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/C=C/c2ccccc2)s1 746683866 HMSDEDVGIBUURB-KBXRYBNXSA-N 284.336 3.899 30 20 CHED Cc1ccc(C#N)nc1NC[C@H]1SCCc2ccccc21 596152983 VQTDEAUFPHOKLP-MRXNPFEDSA-N 295.411 3.704 30 20 CHED C=C(C)CNC(=S)N[C@H]1CCC(C)(C)c2ccccc21 745731021 XTHXAQBLZSYDTK-HNNXBMFYSA-N 288.460 3.839 30 20 CHED CC#CCOC(=O)c1ccccc1OCc1ccc(F)cc1 744464931 FSPGNDAZBAUTMQ-UHFFFAOYSA-N 298.313 3.585 30 20 CHED CC(C)(C)Oc1ccc(N[C@@H]2COC(C)(C)C2)cc1C#N 841886795 ZDMCRMAAYFJUFB-AWEZNQCLSA-N 288.391 3.715 30 20 CHED C[C@H](COC(=O)c1ccc(C#N)c(Cl)c1)CC(F)F 842437218 AOUQXYZXAVTXMR-QMMMGPOBSA-N 287.693 3.660 30 20 CHED CC#CCOC(=O)CC(c1ccccc1)c1ccccc1 744496182 VRGPQSNRZBLFHK-UHFFFAOYSA-N 278.351 3.775 30 20 CHED N#CCCCCCC(=O)N[C@H](c1ccccc1)C(F)F 590472010 XNPUZYPXFNVONM-CQSZACIVSA-N 280.318 3.583 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCC(C)=C(C)C1)c1ccncc1 843549547 MXEUUNNBHXHTDW-SJORKVTESA-N 284.403 3.952 30 20 CHED CC(=NN=C(CC(C)C)c1cccs1)c1cnccn1 745201723 JYMLEFDVMYSNKI-UHFFFAOYSA-N 286.404 3.798 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCNc1ccc2ccccc2n1 925506697 WRSGNEVBJSGIFN-AWEZNQCLSA-N 296.418 3.565 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccc(C2CC2)cc1 850936833 BYKDLRQXUKPMSZ-AWEZNQCLSA-N 257.333 3.659 30 20 CHED CCCCCCCNC(=O)N[C@H]1COCc2ccccc21 858114346 GCCJWDJDPZDZCJ-INIZCTEOSA-N 290.407 3.528 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@H]1c1c(C)cccc1C 852278302 VZCYCJZJANDLGG-HZPDHXFCSA-N 284.403 3.562 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1nc(C)no1)c1ccc(F)c(F)c1 681464771 NWITWPJEIGIHSE-YMTOWFKASA-N 293.317 3.624 30 20 CHED C#Cc1cncc(C(=O)N(Cc2ccsc2)C(C)(C)C)c1 857640071 BPCYNMVLSDXLPW-UHFFFAOYSA-N 298.411 3.565 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(-c2ccc(OC)cc2)no1 683792995 LMEJNUHZNWSXAS-HNNXBMFYSA-N 298.386 3.891 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](C)C1CC1 920819006 INJHIQARUVJTSZ-OAHLLOKOSA-N 298.430 3.979 30 20 CHED Clc1ccccc1NN=Cc1cnn(-c2ccccc2)c1 751369629 PYWRPQMIVTXBCF-UHFFFAOYSA-N 296.761 3.972 30 20 CHED CC[C@H](C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 759349702 QNKMBGIRKZSSGP-KRWDZBQOSA-N 297.329 3.934 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(-n2cccn2)cc1 920386077 PMVODQUDCSCTJB-UHFFFAOYSA-N 294.333 3.848 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc2ccccc2c1O 755821885 INZRLCMXZKYBIP-MRXNPFEDSA-N 285.343 3.813 30 20 CHED CC(C)c1nc(CNc2cccc(OCC#N)c2)cs1 696460986 JJMHLECYULAQTE-UHFFFAOYSA-N 287.388 3.781 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] 758514838 BYHMEOLUKAWLBF-UHFFFAOYSA-N 293.294 3.546 30 20 CHED C=C(Cl)CNC(=O)NCc1ccc(C2CCC2)cc1 755246795 NSNMZLWNRPFGOH-UHFFFAOYSA-N 278.783 3.506 30 20 CHED Cn1nc(C/N=C/c2cc(Cl)ccc2O)c2ccccc21 758815995 OMIOPBPTHRHDCC-GIJQJNRQSA-N 299.761 3.551 30 20 CHED CC(C)C#CC(=O)Nc1ccc(OCCC(C)C)cc1F 855057872 ZCYCLRSBSLDSFV-UHFFFAOYSA-N 291.366 3.849 30 20 CHED CCc1ncc(C=NNc2ccccc2CC)s1 752161057 PBCNVWAPMYKNKA-UHFFFAOYSA-N 259.378 3.714 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCCCC2(C)C)c1 757763436 HODLXOLYDPULRA-OAHLLOKOSA-N 270.376 3.758 30 20 CHED C=CCN(Cc1ccc(OC)c(OC(F)F)c1)C(C)C 768547432 MGGIGAYXVLRJKA-UHFFFAOYSA-N 285.334 3.693 30 20 CHED CCON=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 767460565 FMLVCQNETOWWHT-UHFFFAOYSA-N 294.694 3.879 30 20 CHED CCC(=NNc1oc(C)nc1C#N)c1cc(C)ccc1C 863082222 GXLFNFDBVDLKOZ-UHFFFAOYSA-N 282.347 3.698 30 20 CHED CCC(CCc1ccccc1)=NNC[C@H]1CCSC1 863111608 DBOZNMRLRGDEPT-OAHLLOKOSA-N 276.449 3.728 30 20 CHED C=C(C)C[C@H](NCc1ccc(Cl)c(Cl)c1)C(=O)O 864530975 RKPFKHLBLFLWCQ-LBPRGKRZSA-N 288.174 3.502 30 20 CHED Cc1cc(C=NNc2cccc(C#N)c2)c(C)n1C1CC1 767362964 PXIFTYAOAJCMSK-UHFFFAOYSA-N 278.359 3.758 30 20 CHED C[C@@H](c1noc(COc2cccc(C#N)c2)n1)C(C)(C)C 762150103 WGXNMZUBGBKFBI-NSHDSACASA-N 285.347 3.670 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@](C)(O)c1ccccc1Cl 765677189 LCBOGOZDQPUUQG-WOSRLPQWSA-N 281.827 3.738 30 20 CHED N#Cc1c(F)ccc(C=NNc2cccc(F)c2)c1Cl 761798935 DPOOSVKNDJCPGY-UHFFFAOYSA-N 291.688 3.936 30 20 CHED C#CCCCCCc1nc([C@H]2CCCCS2)no1 762388563 ZEDUCQYMKHHDCF-GFCCVEGCSA-N 264.394 3.764 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cccc(C2CC2)c1 860837537 DYMGQWHQTYFNAF-UHFFFAOYSA-N 257.333 3.799 30 20 CHED COc1ccc(C)cc1C(C)=NNc1cccc(C#N)c1 767362045 LTXUGKUPHGWASU-UHFFFAOYSA-N 279.343 3.711 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cnc(Cl)c(C)c1)C2 760262267 BYCCUBCAAQXVEP-MLPAPPSSSA-N 299.757 3.874 30 20 CHED C[C@H]1CCC[C@@H](c2noc(COc3cccc(C#N)c3)n2)C1 761798366 ZILXGRJTTXJWMS-GXTWGEPZSA-N 297.358 3.814 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cc(C#N)cc(Cl)n1 768381264 WSINVFAGJCRXBR-UHFFFAOYSA-N 296.761 3.678 30 20 CHED N#CC1(OC(=O)c2cccc3ccsc23)CCC1 767991925 CGTKBCPQNWMDFI-UHFFFAOYSA-N 257.314 3.504 30 20 CHED C#CCCCC(=O)N(C)c1nc2cccc(Cl)c2s1 767310150 XKHQOWUMGSZSND-UHFFFAOYSA-N 292.791 3.716 30 20 CHED Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@@H](C)CCC#N 877593140 ZRBSZEBHZRAGAN-HOCLYGCPSA-N 287.451 3.522 30 20 CHED CSc1ccc(C(C)=NOC2CCOCC2)c(Cl)c1 774452042 HVSRFARYHODFGI-UHFFFAOYSA-N 299.823 3.982 30 20 CHED CC[C@H](N[C@H](C)Cc1ccco1)c1ccc(C#N)cc1 774116905 PDIVRDVUHAHDHH-DYVFJYSZSA-N 268.360 3.823 30 20 CHED CCCCCCCNC(=O)N1CCC(C(F)F)CC1 875765024 YZXMTYIBJJZEPG-UHFFFAOYSA-N 276.371 3.644 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1ccc(C#N)s1 779271824 AYRVSWYBNNKDCE-JFGNBEQYSA-N 263.362 3.601 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1ccc(N)cc1 773127253 ZPLVHZJXQVCDIQ-HNNXBMFYSA-N 259.397 3.551 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccccc2)c(F)c1 772802160 LBVGGLSNPNANIB-HJWRWDBZSA-N 251.260 3.593 30 20 CHED CCC(=NNc1nccnc1C(C)C)c1cccc(F)c1 773091475 QTJPJDCJOJBHQW-UHFFFAOYSA-N 286.354 3.965 30 20 CHED C=C1CCC(C(=O)Nc2cc(F)ccc2OC)CC1 889830671 BINNBQBFAHMHJJ-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1cccc(C)c1 775406387 PFDURJDCAVQRDY-UHFFFAOYSA-N 280.327 3.651 30 20 CHED C=CCC[C@H](C)OC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 772782524 WIAQEPFCLRPGOB-ZDUSSCGKSA-N 297.354 3.757 30 20 CHED Cc1ccoc1C(=O)/C=C\c1nc2c(s1)CCCC2 776264177 FUMWQHWFFZVAOJ-SREVYHEPSA-N 273.357 3.819 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccccc1O)c1ccncc1 783512382 BMVVEPVNSAZSGV-BBRMVZONSA-N 268.360 3.755 30 20 CHED CC(C)c1ccc([C@@H](C)OC(=O)c2ccc(C#N)[nH]2)cc1 783456987 WUWQXPJNOKQOOJ-GFCCVEGCSA-N 282.343 3.928 30 20 CHED C=CCN(C(=O)Cc1sc(C)nc1C)c1ccccc1 887913159 RFDKKEBRISFZQN-UHFFFAOYSA-N 286.400 3.522 30 20 CHED C=CCCCCCOC(=O)c1ccc(Cl)nc1 782006699 NWNGQKBCAFWDLP-UHFFFAOYSA-N 253.729 3.638 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](Nc2cc(C#N)ncn2)CC1 1458323585 SFBGYCOHVGUSKF-QWHCGFSZSA-N 272.396 3.755 30 20 CHED CCC(C[C@H](C)CC)=NNc1ncncc1Cl 780280559 RJBIGYUQKVYLPX-SECBINFHSA-N 254.765 3.744 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1Cc2ccccc2[C@H]1CC 890615828 QUMRNAJLADWVKG-SJLPKXTDSA-N 287.403 3.709 30 20 CHED COc1ccccc1[C@H]1CCCN1c1cc(C)cc(C#N)n1 892311010 UWKKBBWNIATNIP-MRXNPFEDSA-N 293.370 3.612 30 20 CHED N#Cc1ccc(NN=Cc2cnc(-c3ccco3)s2)cc1 782198698 FVKNEMIGTMCOLB-UHFFFAOYSA-N 294.339 3.721 30 20 CHED CC(C)CCN(CCC#N)C[C@H]1CCc2ccccc21 780292126 FDBXGONZAXCINY-QGZVFWFLSA-N 270.420 3.978 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ncncc1Cl 780282112 CPLSHIMDPNFLFL-MNOVXSKESA-N 264.760 3.520 30 20 CHED CCCC[C@H](CC)C(=O)Nc1cc(OC)c(C#N)cc1F 1131704878 OJSGQHOVNSCVEV-NSHDSACASA-N 292.354 3.861 30 20 CHED C#Cc1cncc(-c2noc(C3CCC4(CC3)CC4)n2)c1 896555322 IRDVSBDMFLWXHE-UHFFFAOYSA-N 279.343 3.551 30 20 CHED C=CCC(C)(C)c1noc(-c2ncccc2CC)n1 896327596 DCJQRGFOWYRSHN-UHFFFAOYSA-N 257.337 3.548 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C\c1nc2ccccc2s1 785856421 FWWWURQEQAKMGZ-BSYHEUMXSA-N 298.411 3.877 30 20 CHED CC(=NOCC(F)(F)F)c1csc(Cl)c1 787164200 XFXPXLJIEUNDSK-UHFFFAOYSA-N 257.664 3.704 30 20 CHED COCCC1(C=NOCCC(F)(F)F)CCCCC1 780241036 KYZROKBRLWXGGW-UHFFFAOYSA-N 281.318 3.928 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1CCO[C@@H](C)C1 793532566 MQGPBAPELLCUOM-HRCADAONSA-N 253.430 3.916 30 20 CHED Cc1ccnc(N[C@H]2CCSc3ccccc32)c1C#N 273042504 PIJOLXXUKLNNAR-AWEZNQCLSA-N 281.384 3.911 30 20 CHED C=C[C@@H]1CCCCN1c1ccc(C(=O)CC)cc1[N+](=O)[O-] 795170279 AUOJTISULKIUOA-CYBMUJFWSA-N 288.347 3.732 30 20 CHED COc1ccc(C)cc1C(C)=NNc1cccc(Cl)n1 793164129 SOTVWPQBWCLRDW-UHFFFAOYSA-N 289.766 3.888 30 20 CHED C=CCC1(C(=O)OCc2cc(C)ccc2OC)CCC1 791564294 GPNIYQOTOCKIMD-UHFFFAOYSA-N 274.360 3.793 30 20 CHED C=CCCCCC[C@H](C)NCCC1CCN(C)CC1 793526721 NPPRPULOEHGXMC-INIZCTEOSA-N 266.473 3.833 30 20 CHED CC(=NNc1nccn1C)c1ccc(SC(C)C)cc1 790302294 ORKOZGZZFAYHHU-UHFFFAOYSA-N 288.420 3.757 30 20 CHED CN(CC1CCC1)c1ccc(C#N)c(C(F)(F)F)c1 61481087 DPEMVGFCJSKFNE-UHFFFAOYSA-N 268.282 3.813 30 20 CHED C[C@H]1C[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)CC[C@H]1C 1208346050 KNKUORDODYBRSN-UHIISALHSA-N 289.354 3.644 30 20 CHED CC[C@H](C)CCC(=O)OCc1ccc(CC#N)cc1 797227566 IUXYWMHVDNFMFD-ZDUSSCGKSA-N 259.349 3.622 30 20 CHED CCc1ccc(C=NNc2cccc(Cl)n2)s1 793174005 GAZMALARECRFGU-UHFFFAOYSA-N 265.769 3.805 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1ccc(F)cc1OCC#N 796806926 GMBPNYGUAIXXOU-MRXNPFEDSA-N 292.354 3.883 30 20 CHED C[C@@]1(C=NNc2ccc3ccccc3n2)CCCS1 792883316 LCPUYKVYHWEZHV-HNNXBMFYSA-N 271.389 3.918 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1c(C)cnn1C)C2=O 794711781 MQLCZMYAGVZSQG-NTEUORMPSA-N 280.371 3.558 30 20 CHED CCC1(CC)CCN(C(=O)c2ccc(C)c(C#N)c2)CC1 799722534 PWPIHOXKXSEQHQ-UHFFFAOYSA-N 284.403 3.909 30 20 CHED COCCN(C)N=C(C)c1ccc(-c2ccccc2)cc1 794968013 NAJXJDICPLKENA-UHFFFAOYSA-N 282.387 3.656 30 20 CHED C=CCCCOC(=O)Cc1cccc(Br)c1 735534065 FKZZVJDACCPVNO-UHFFFAOYSA-N 283.165 3.501 30 20 CHED C[C@H](NCC(C1CC1)C1CC1)c1cccc(C#N)c1 88455428 SFRWPZAWIDUAQE-LBPRGKRZSA-N 254.377 3.645 30 20 CHED CC[C@H](NCc1cccc(F)c1C#N)[C@@H]1CC1(C)C 1308825259 XGBDTKYVRWHJNJ-ZFWWWQNUSA-N 260.356 3.612 30 20 CHED C[C@@H](C(=O)OCCc1ccc(C#N)cc1)c1cccs1 1327945940 QYKNKTTZZAEQQA-GFCCVEGCSA-N 285.368 3.509 30 20 CHED Cc1cc(CN2CCC[C@@H]2CC(C)C)ccc1C#N 1663821190 DUOMENASUOCCLW-QGZVFWFLSA-N 256.393 3.877 30 20 CHED C/C(=C\Cl)CSCCC(=O)Nc1cccc(C#N)c1 1321592809 VEEGJHBELWKFRT-DHZHZOJOSA-N 294.807 3.763 30 20 CHED C[C@H](c1cccc(C#N)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1320739731 KPAMBCCOMDSEPM-GFCCVEGCSA-N 293.326 3.543 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@](O)(C2CC2)C1 1320959168 TWPRXDDJSGNFSQ-KRWDZBQOSA-N 281.440 3.501 30 20 CHED N#C[C@@H](NC(=O)CC1CC(c2ccccc2)C1)C1CCCC1 1334343253 VUUVETZNFOEMLQ-IUPXNIOVSA-N 296.414 3.769 30 20 CHED Cc1cc(COC(=O)C2(c3cccc(C#N)c3)CC2)cs1 1347013276 WOMUCDJKCLZSPN-UHFFFAOYSA-N 297.379 3.703 30 20 CHED C#CC[C@@H](C)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1343309156 MKYXRYFIRNYQHL-SNVBAGLBSA-N 275.735 3.698 30 20 CHED CCc1ccc(C(=O)O[C@H](CC#N)c2ccco2)s1 1346720841 ZXSZTZDWTNYFOH-GFCCVEGCSA-N 275.329 3.715 30 20 CHED Cc1ccc([C@H](C)NC(=O)[C@H](CC#N)c2ccccc2)s1 1355855620 WDMBOZBNFBXXKK-DZGCQCFKSA-N 298.411 3.931 30 20 CHED C=C(C)CCC(=O)OC[C@H]1CCO[C@H]1c1ccccc1 1518160830 PSFATZCSISZLCG-WBVHZDCISA-N 274.360 3.664 30 20 CHED C[C@H]1CCN(c2ncc(C#N)cc2F)CC12CCCCC2 1458333578 YCIJSHZKHYAYNI-ZDUSSCGKSA-N 287.382 3.889 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1cc(C#N)ccc1C)CCC2 1456268411 LSAMEYZIEJICPJ-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1C[C@@H](C)CC(C)(C)C1 1524061866 NZMBGYVVYMIEQD-NSHDSACASA-N 298.381 3.664 30 20 CHED C=C(CC)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 1520754766 VUEZXYNJENSMOL-GFCCVEGCSA-N 281.808 3.959 30 20 CHED CCOc1cc(NC(=O)c2ccccc2CC#N)ccc1C 1467972829 RYSFYMSVRHBWRI-UHFFFAOYSA-N 294.354 3.712 30 20 CHED C=C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2)cc1)C(=O)O 1602818867 HAXKKNJUODXJJD-SUMWQHHRSA-N 281.355 3.643 30 20 CHED Cc1cc(C)cc(C(=O)Nc2cc(C#N)c(F)cc2F)c1 1535868709 VZIMDZWLOIGASN-UHFFFAOYSA-N 286.281 3.706 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@@H]2CCF)cc1Cl 1610835387 CXTMDUCHOPOQNL-SECBINFHSA-N 298.745 3.966 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NN[C@H](C)C(F)F 1552027727 RPSDSCGRJTYGSS-OSAQELSMSA-N 296.361 3.568 30 20 CHED N#Cc1nc(NC[C@@H]2CCc3ccccc32)sc1Cl 1639474533 MZGYWNRHYRIHSP-JTQLQIEISA-N 289.791 3.810 30 20 CHED CC(C)(C#N)CNCc1cccc(COc2ccccc2)c1 1560616458 FEIVVXUNCZGDNX-UHFFFAOYSA-N 294.398 3.905 30 20 CHED CC[C@H](CC(F)(F)F)NC(=O)[C@@H](CC#N)c1ccccc1 1584390396 XPTBDIUKGDEUAU-OLZOCXBDSA-N 298.308 3.531 30 20 CHED CCCN(CCC)C(=O)CSc1ccc(C#N)c(C)c1 1652912663 RQGSSOVRUPIBBP-UHFFFAOYSA-N 290.432 3.607 30 20 CHED CC[C@H](C)[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)OC 1659042428 RVPKONXNCZIPKZ-HNAYVOBHSA-N 298.430 3.708 30 20 CHED N#Cc1ccc(CCSc2nc3ccccc3[nH]2)cc1 1652433784 CZAQWBVSNQRSJP-UHFFFAOYSA-N 279.368 3.769 30 20 CHED C=C(CNC(=O)c1c(C)cc(F)cc1C)c1ccccc1 1596357521 TUFUEERVLVYVEH-UHFFFAOYSA-N 283.346 3.886 30 20 CHED C[C@H]1C[C@@H](C)N(c2ccc(C#N)c(C(F)(F)F)c2)C1 123450991 HQFHABBOABGZER-VHSXEESVSA-N 268.282 3.812 30 20 CHED C=CCC[C@@H](CC(C)C)C(=O)OCc1cc(C(=O)O)co1 1776165963 LLJGNBOIUQFVLL-LBPRGKRZSA-N 294.347 3.650 30 20 CHED CCCON=C(C)c1sc2ccccc2c1C(=O)O 1776082618 BHXOWADQQRJMES-UHFFFAOYSA-N 277.345 3.750 30 20 CHED C=CC[C@H](Cc1ccccc1)Nc1ccc(C(=O)O)c(C)n1 1776151696 XXAACPKZPZYKJX-OAHLLOKOSA-N 296.370 3.688 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccc(OC)cc1 11047905 NGKRUGASDYOIRF-GOSISDBHSA-N 280.371 3.808 30 20 CHED C=CCN(CC=C)C(=S)Nc1cc(C)cc(C)c1 13824152 ZWNYPAXNTCYDRT-UHFFFAOYSA-N 260.406 3.674 30 20 CHED C[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccc(F)cc1F 161890005 UQKJDBGMHDMIPL-IINYFYTJSA-N 294.345 3.513 30 20 CHED CCc1nc(C)c([C@H](C)NCc2cccc(C#N)c2)s1 151369501 KQZNBPGQZYLWMT-NSHDSACASA-N 285.416 3.736 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)cc1C 152698226 KQSXZMQDFFURBT-AATRIKPKSA-N 268.312 3.611 30 20 CHED N#CCC[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1 153613173 LQJJEUAHBIRBCN-GDBMZVCRSA-N 268.360 3.504 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N(C)CCC(C)(C)C#N 157548984 NIFCLUFOBAHIQW-NSHDSACASA-N 266.335 3.897 30 20 CHED CN(C[C@H](O)c1ccc(C#N)cc1)C1CCCCCCC1 155923414 PNTBHPGWTUHTQA-SFHVURJKSA-N 286.419 3.636 30 20 CHED COc1ccccc1[C@@H]1CCN(Cc2ccccc2C#N)C1 157912919 OVBSNFXGJHRIDL-QGZVFWFLSA-N 292.382 3.556 30 20 CHED CC(C)[C@@H](C)N(C(=O)c1ccc(C#N)c(Cl)c1)C1CC1 154628731 JWWBMPGTFWHURM-LLVKDONJSA-N 290.794 3.861 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 154924913 NHWRKGVDWZVKNJ-SECBINFHSA-N 287.190 3.882 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C)cc2OC)c1 209439603 CKZDPLXVZRRESL-NTMALXAHSA-N 282.339 3.908 30 20 CHED N#Cc1cc(F)ccc1NC(=O)CCCc1cccs1 135152308 KMSCVASNJKUISF-UHFFFAOYSA-N 288.347 3.720 30 20 CHED N#CCCCOc1cc(F)c(Cl)cc1Br 236145816 JRZGLJKKNISRBF-UHFFFAOYSA-N 292.535 3.924 30 20 CHED C[C@H](CNCc1cccc(C#N)c1)COCc1ccccc1 237547665 OPOHIIKYJLGIRK-MRXNPFEDSA-N 294.398 3.501 30 20 CHED C#CCCCCNC(=O)c1oc2ccc(Cl)cc2c1C 156335422 LVFBXCUMDWWLLQ-UHFFFAOYSA-N 289.762 3.928 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)C2CC2)cc1 35053467 IKMVNPUTZOSQBZ-GOSISDBHSA-N 262.356 3.799 30 20 CHED C[C@H](NCc1cccs1)c1ccc(OCC#N)cc1 37231930 YYFMWJVQVYWGKL-LBPRGKRZSA-N 272.373 3.501 30 20 CHED N#Cc1cnc2ccccc2c1NC[C@H]1CC=CCC1 45647560 KOHJBDPTKVNMPJ-ZDUSSCGKSA-N 263.344 3.875 30 20 CHED CC[C@H](CC#N)NC1CCC(c2ccccc2)CC1 54182247 NXTWVBRZCXHIQS-AQFXKWCLSA-N 256.393 3.995 30 20 CHED C=CCCOc1ccc(C)cc1I 308369834 KBHNJUSLLDZNHU-UHFFFAOYSA-N 288.128 3.555 30 20 CHED Cc1cc(C)cc(Nc2ncc(C#N)cc2Cl)c1 513636141 WMPHCWPUWRBQSP-UHFFFAOYSA-N 257.724 3.967 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)C(C)(C)C 522336385 ZEMVIDHJAQNMAL-VIFPVBQESA-N 264.756 3.832 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1 617783147 UTTCZJFTSQALEU-CYBMUJFWSA-N 268.360 3.596 30 20 CHED CCc1sc(C(=O)N(CCC#N)CC(C)C)cc1C 701309362 SZRLFFADFYCPIR-UHFFFAOYSA-N 278.421 3.631 30 20 CHED COc1cc(CN(C)Cc2ccc(C)s2)ccc1C#N 442884782 KYXUGNYSYWYXNA-UHFFFAOYSA-N 286.400 3.569 30 20 CHED N#Cc1c(F)cccc1Sc1nc2ccccc2o1 93409185 VXRAJEGOSMZARL-UHFFFAOYSA-N 270.288 3.990 30 20 CHED N#Cc1ccc(N2C[C@H]3CCCC[C@H]32)cc1Br 706747184 SFVDSQFQQLWGCW-BXUZGUMPSA-N 291.192 3.700 30 20 CHED Cc1ccsc1CN(C)c1c(F)cc(C#N)cc1F 383909912 FENAHLNAWBDNQG-UHFFFAOYSA-N 278.327 3.843 30 20 CHED CSCC(=NOCc1ccccc1)c1ccccc1 749444206 OABOIDMQTMMURP-UHFFFAOYSA-N 271.385 3.971 30 20 CHED C(=NOCc1ccccc1)[C@@H]1CCc2ccccc21 755630959 BTVHGZQUFYQOBC-INIZCTEOSA-N 251.329 3.919 30 20 CHED CCCOc1ccccc1NC(=O)c1cccc(C#N)c1 3553908 NCEPSBRVHVKALU-UHFFFAOYSA-N 280.327 3.599 30 20 CHED C=CCCC(=O)N(Cc1ccc(C)s1)C(C)C 102240822 FJELTUBMYNGLGZ-UHFFFAOYSA-N 251.395 3.760 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C)ccc2O)c1 65749344 TXOYOYNHBGLUBX-UHFFFAOYSA-N 283.327 3.518 30 20 CHED CC(C)n1c([C@H]2CCCN(CCC#N)C2)nc2ccccc21 114473035 PTWJQIKJRVNVGT-HNNXBMFYSA-N 296.418 3.710 30 20 CHED CCCCCCCCCC(=O)Nc1cn(C)c(=O)cc1C 176150135 QOFCOGLUTGGEPY-UHFFFAOYSA-N 292.423 3.773 30 20 CHED C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 104978740 XVQRYEFKGUMKCE-NOZJJQNGSA-N 277.755 3.522 30 20 CHED CC1(C)C[C@@H]1CNc1cc(Br)c(C#N)cc1F 310193207 AUBBQGKLOUNOBW-SECBINFHSA-N 297.171 3.918 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)C2(c3ccc(Cl)cc3)CC2)C1 179860106 IOBYZUDZTGYQQY-BXUZGUMPSA-N 289.762 3.607 30 20 CHED C=CC1CCN(C(=O)c2cc3ccccc3nc2C)CC1 110368452 YNGTXQFUGQNRDF-UHFFFAOYSA-N 280.371 3.581 30 20 CHED C=CCCCC(=O)N[C@@H](c1ncccc1C)C(C)C 175781164 OJVXSZHAQZUSRX-OAHLLOKOSA-N 260.381 3.560 30 20 CHED CCc1nc(CO/N=C/c2ccc(C)cc2)cs1 63455207 XXKYLKSTQICCCP-OVCLIPMQSA-N 260.362 3.565 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1 26771125 WXIXYWVTPSVBET-XGICHPGQSA-N 269.319 3.788 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cccc(C(F)F)c1 177591749 SKQKFLKMKDFMTI-UHFFFAOYSA-N 290.244 3.887 30 20 CHED N#Cc1cccc(CN(Cc2cccc(O)c2)CC2CC2)c1 171991451 IHZBIWQCCSZTNZ-UHFFFAOYSA-N 292.382 3.676 30 20 CHED C=CCCCS[C@H](C)C(=O)Nc1ccc(F)cc1F 117944552 TUEKBZYJNKPHEQ-SNVBAGLBSA-N 285.359 3.991 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(OC)c(Cl)c1 177866552 GDTOKQYAADQDTF-UHFFFAOYSA-N 285.796 3.596 30 20 CHED N#Cc1cc(Cl)cc(OC/C(Cl)=C\Cl)c1 309049359 OOWWTBFMWKTURL-RUDMXATFSA-N 262.523 3.909 30 20 CHED CCC[C@@H](Nc1ccc(C#N)nn1)c1ccc(F)cc1F 301915029 DDDCVXTYGJANBL-CQSZACIVSA-N 288.301 3.580 30 20 CHED C[C@@H](CCc1ccccc1)NCc1ccc(C#N)c(F)c1 404146724 PZXIKNMMYRPVCY-AWEZNQCLSA-N 282.362 3.808 30 20 CHED C=CCC[C@H](C)Nc1ccc(Cn2cccn2)cc1 130687542 AFVYPQLLQVGXCO-AWEZNQCLSA-N 255.365 3.698 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C#N)C(C)(C)C 122232445 SGQCGWAKRBGMBG-HIFRSBDPSA-N 272.392 3.543 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 1348727935 WFAZVRBZJRXOBC-HNNXBMFYSA-N 283.375 3.501 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)N2CCC(C#N)CC2)cc1 61584907 GGKKRRGZUVJXMT-RMKNXTFCSA-N 296.414 3.759 30 20 CHED CCS[C@@H]1CCC[C@H](Nc2c(C#N)cccc2C#N)C1 302903833 UWRHTJVQZURQDN-LSDHHAIUSA-N 285.416 3.906 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1oc2ccccc2c1C 185205046 PVAGDFQSQVBRLL-ZDUSSCGKSA-N 283.371 3.968 30 20 CHED C=C1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 353321588 RGWDENZGKBFMCP-UHFFFAOYSA-N 293.794 3.653 30 20 CHED Cc1cc(Cl)ccc1CN(CCC#N)Cc1cccnc1 185489233 OOEGHEZTSLWPIM-UHFFFAOYSA-N 299.805 3.959 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccc(Cl)cc1 184909387 VEYDHRSJUNUINC-GFCCVEGCSA-N 263.768 3.711 30 20 CHED Cc1c(C(=O)/C=C/c2cc(C#N)cs2)cnn1C(C)(C)C 188868613 ZSNRYCCMEDINKQ-AATRIKPKSA-N 299.399 3.776 30 20 CHED C=C(C)[C@@H](NC(=O)C[C@@H](C)SC)c1ccc(F)c(F)c1 186082174 IAHFPXWFLSARBX-MEBBXXQBSA-N 299.386 3.840 30 20 CHED C=CCC[C@H](NC[C@H](OC)c1ccccc1)C1CC1 120402812 DRDXKRVKLRTTED-IRXDYDNUSA-N 259.393 3.709 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1c(Cl)cnn1C 475285703 MPYAFZZBSGOOPO-UHFFFAOYSA-N 289.810 3.652 30 20 CHED C[C@H](c1ccco1)N(CC#Cc1ccc(F)cc1)C1CC1 127752677 KOITVQQAYDBUSB-CQSZACIVSA-N 283.346 3.996 30 20 CHED CCn1cc(/C=C2/CCc3c(C)ccc(C)c3C2=O)cn1 184764234 VVFGPUVQFSZDPX-DHDCSXOGSA-N 280.371 3.732 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@H]1CCCCC1(C)C 120844954 PQZFGZIYUOKLCR-CZUORRHYSA-N 264.413 3.647 30 20 CHED CCN(CC)[C@@H](C/N=C/c1ccccc1O)c1ccccc1 72658426 QGZODROGWSWCGP-OFBHVFLISA-N 296.414 3.894 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@@H]1CC[C@H](C)C1 411076293 ZEIODGPXJVLVKT-WCQYABFASA-N 284.359 3.526 30 20 CHED Cc1cccc(C)c1CC(=O)Nc1ccc(CC#N)cc1 182515569 SCHVNIDRQRCICX-UHFFFAOYSA-N 278.355 3.551 30 20 CHED C#C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 186010897 LRKUTKODGKCEDP-OLZOCXBDSA-N 290.432 3.569 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)CC(C)(C)OC)c1ccccc1 188263395 VWYZQZRMRIVKSK-GDBMZVCRSA-N 289.419 3.666 30 20 CHED Cc1ccc(C#N)cc1OCc1nc(C(F)(F)F)cs1 507805546 AQBIHZKXELQFLP-UHFFFAOYSA-N 298.289 3.921 30 20 CHED C=CCCOCCCCC(=O)N1[C@@H](C)CCC1(C)C 411093144 WJWUVXVNOBDXGB-AWEZNQCLSA-N 267.413 3.539 30 20 CHED C=C(C)COCCNCc1ccc(Cl)c(Cl)c1 125793227 ZGIGCJZAWWEBMD-UHFFFAOYSA-N 274.191 3.676 30 20 CHED C=C[C@@H](CC(=O)N1CCSC(C)(C)C1)c1ccccc1 123172096 SCJQZAOPVRGTCX-AWEZNQCLSA-N 289.444 3.700 30 20 CHED CCc1cnc(CSc2nc3c(c(C)c2C#N)CCC3)o1 78948771 XRFGGEYJQYAADB-UHFFFAOYSA-N 299.399 3.593 30 20 CHED C[C@@H]1C[C@H](NC(=O)C(C)(C)C#N)C[C@H](c2ccccc2)C1 412683572 XFTFLBPSTHAFFR-IMJJTQAJSA-N 284.403 3.625 30 20 CHED CC[C@@H](CC(=O)NCC1(C#N)CCC1)c1ccc(C)cc1 416348320 TVRPKOGYTPGIAW-HNNXBMFYSA-N 284.403 3.689 30 20 CHED CCC(C)(C)CC(=O)N1CCCc2cc(C#N)ccc21 411000724 KAFCWDLLAPQNPN-UHFFFAOYSA-N 270.376 3.664 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccc(C#N)c(C#N)c1 173099711 LVQPJSUYWRHTBQ-GFCCVEGCSA-N 269.348 3.585 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(Cl)nc1 72692848 AWPOAZWSOZWFFF-UHFFFAOYSA-N 279.815 3.887 30 20 CHED C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(F)cc1F 181579074 QVVRCCYMAZXWOF-GFCCVEGCSA-N 289.300 3.806 30 20 CHED COCCOc1ccc(CNc2cccc(C#N)c2C)cc1 181448965 RJDVWYWZQGILSS-UHFFFAOYSA-N 296.370 3.504 30 20 CHED CCCOc1cc(C)ccc1CNc1ncc(C#N)cc1F 413192058 ZMMIWPDGBHYXDG-UHFFFAOYSA-N 299.349 3.802 30 20 CHED Cc1ccc(-c2csc(Cn3ccc(C#N)c3)n2)cc1 505570850 QIRVNEKUCVLHDG-UHFFFAOYSA-N 279.368 3.840 30 20 CHED N#Cc1cnc(N[C@H]2C[C@H](c3cccc(F)c3)C2)c(F)c1 413278114 YMZNDVWOWLSNPV-MQMHXKEQSA-N 285.297 3.590 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(Cl)ccc2F)C1 612406233 JZBWJEBJYXTLBQ-CQSZACIVSA-N 266.747 3.605 30 20 CHED C[C@@H](/N=C(/O)c1coc(C2CCCCC2)n1)c1cn[nH]c1 328756354 UCPQLFLQAHAQTD-SNVBAGLBSA-N 288.351 3.511 30 20 CHED CCCCCCCC(=O)N(C)Cc1ccc(OC)c(O)c1 135519052 PRBUMQRLUZNPLT-UHFFFAOYSA-N 293.407 3.720 30 20 CHED CC[C@@H]1CC[C@@H](C(O)=Nc2cnc3c(c2)CCCC3)O1 329447047 LGKGENYIIDKPPS-HIFRSBDPSA-N 274.364 3.506 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 424605767 QZGYKDWKVZHKFR-UHFFFAOYSA-N 287.281 3.968 30 20 CHED CC(=O)Nc1ccc(O[C@@H](C)c2ccc(C#N)cc2)cc1 194622374 HFDWYQPXJDCOSR-LBPRGKRZSA-N 280.327 3.657 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cccc(SC)n2)no1 420526137 YTYDMPYPSLYRKD-JTQLQIEISA-N 291.376 3.507 30 20 CHED C=CCSCCNC(=O)N1CCC[C@@H]1c1cccs1 194634081 ZNKGSOYBSBORMR-GFCCVEGCSA-N 296.461 3.514 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1ccc(C2CCC2)cc1 286555105 RTLAYFRYXQIRKP-QGZVFWFLSA-N 270.376 3.510 30 20 CHED CCN(Cc1ccccc1Cl)[C@H]1CC[C@H](C#N)C1 429704902 BRCSRCBHULQDGM-JSGCOSHPSA-N 262.784 3.854 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2CSc3ccccc32)C1 328888848 PYDMYYXXYVMWFL-ZMLRMANQSA-N 290.388 3.545 30 20 CHED CCN(CC#N)Cc1c(OC(F)F)ccc2ccccc12 511521058 FZZPROFDGQINJE-UHFFFAOYSA-N 290.313 3.787 30 20 CHED COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 194255022 MPYOABQGSQPGLO-RCBQFDQVSA-N 292.810 3.699 30 20 CHED Cc1nn(-c2ccccc2)cc1CNc1ccc(C#N)cc1 132868236 SOZIAJASWCIQNM-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=CCC[C@H](O)CN1CC[C@](F)(c2cccc(Cl)c2)C1 515313398 BUCQDBZVKUYZHK-JKSUJKDBSA-N 297.801 3.538 30 20 CHED C=CCOc1ccc(CN[C@H]2CSC[C@@H]2C)cc1Cl 512849477 FNOAWZUZIFIGHV-FZMZJTMJSA-N 297.851 3.746 30 20 CHED N#Cc1cccc(Cl)c1N1CC[C@H](c2cccnc2)C1 516764556 DOCDCGRBVUIGNX-AWEZNQCLSA-N 283.762 3.601 30 20 CHED N#Cc1ccc(OCc2nc3ccccc3s2)c(F)c1 178342788 VRMPJEMKMISSSQ-UHFFFAOYSA-N 284.315 3.886 30 20 CHED C=CCc1cc(CN[C@H]2CC[C@H](C)C2)cc(OC)c1OC 237246888 HVCKCLWMCMAJRW-BBRMVZONSA-N 289.419 3.711 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cncc(Cl)c1C 334715223 JACCMJQWLKNAPF-NSHDSACASA-N 279.771 3.616 30 20 CHED CCCC[C@@H](C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425105212 DRNZBFRCTXIPGF-ZIAGYGMSSA-N 272.392 3.904 30 20 CHED CC[C@H](C)[C@@](C)(O)C/N=C(/O)c1scnc1C(C)(C)C 331031360 ZPWSSSVDRNWZBC-BONVTDFDSA-N 298.452 3.542 30 20 CHED Cc1ccc2sc(C(=O)N[C@@H]3CC[C@H](C#N)C3)cc2c1 335600315 IYSLDUWGLSUOJA-WCQYABFASA-N 284.384 3.632 30 20 CHED CC#CCCCc1nc(-c2ccsc2Cl)no1 420501268 HNIVTYAHVTUZHY-UHFFFAOYSA-N 266.753 3.798 30 20 CHED C=CCOc1ccc(CN(CC)C[C@H](C)C#N)cc1Cl 91982391 HCFBWTDVYYIRKQ-CYBMUJFWSA-N 292.810 3.886 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)c2cccc(CC#N)c2)C[C@H]1C 330807601 AAMHONKMNUOJRQ-IOASZLSFSA-N 270.376 3.882 30 20 CHED Cc1coc2ccc(N=C(O)N[C@H]3CCC[C@H]3C#N)cc12 330162596 UQYYGHMFMRDQMK-FZMZJTMJSA-N 283.331 3.569 30 20 CHED CCCOc1ccc(CN(CC)CC#N)c(OCCC)c1 511506093 MXBVGEGHXFGYJU-UHFFFAOYSA-N 290.407 3.610 30 20 CHED C[C@H](C#N)CN(C)[C@H](C)c1ccccc1Br 514098360 GCNGMNPRUQFTHJ-GHMZBOCLSA-N 281.197 3.602 30 20 CHED CC(C)N(CCC#N)Cc1nc2ccc(F)cc2s1 519861183 VBAUGXGVCRARLZ-UHFFFAOYSA-N 277.368 3.559 30 20 CHED N#CC1(N(C(=O)c2cccc(Cl)c2F)C2CC2)CCC1 336629927 YANJQISSIUCJQF-UHFFFAOYSA-N 292.741 3.530 30 20 CHED C=C(CNC(=O)N(CC)C[C@@H](C)CC)c1ccccc1 512681613 PPYJWVAQACGMNE-AWEZNQCLSA-N 274.408 3.777 30 20 CHED C=CCc1cc(CN(C)[C@@H](C)C2(C)CC2)cc(OC)c1O 91900477 GNLBLNVNUCEHMN-ZDUSSCGKSA-N 289.419 3.750 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2ccc(C#N)cc2)CC12CCCC2 333800267 FZCHHQGQGWNTGF-MRXNPFEDSA-N 297.402 3.991 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1cc(C)ccc1OC 529480577 ZEOMOTXHIOJUHQ-ZDUSSCGKSA-N 288.391 3.511 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(Cl)cc(F)c1F 336421828 GXSHYARVDANZEU-UHFFFAOYSA-N 274.698 3.658 30 20 CHED CC(C)CN(CCC(F)(F)F)Cc1ccc(C#N)cc1 524907142 ZLDLSENJUWYJDE-UHFFFAOYSA-N 284.325 3.969 30 20 CHED CC#CCN(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 525120354 OKEDLXDAFWXZJB-UHFFFAOYSA-N 299.336 3.700 30 20 CHED N#Cc1ccc(NC2CCC3(CCOCC3)CC2)c(F)c1 439616314 VQSGVJNGVLECKQ-UHFFFAOYSA-N 288.366 3.849 30 20 CHED Cc1nsc(N2CCC[C@H](c3ccccc3)C2)c1C#N 431504419 FLQFDEASIYMDME-AWEZNQCLSA-N 283.400 3.707 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc3c(c2)CCCC3)C1 522643520 CFWPSWLSNCUQAI-KUHUBIRLSA-N 296.414 3.768 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1ccccc1Cl 249877330 MCYWOQKIMDOVQP-VXGBXAGGSA-N 250.773 3.883 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCSc2ccccc21 343164422 JWKBVZCYYYRESP-CQSZACIVSA-N 275.417 3.691 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)Nc2cccc(C#N)c2)C1 437654074 JJNWFPZRFABAMA-KRWDZBQOSA-N 285.391 3.992 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(-c2ccncc2)cc1 341875627 JDNRYIUIMUDONN-CVEARBPZSA-N 296.414 3.584 30 20 CHED C=CC[C@H](C)NC(=O)c1csc2c1CC[C@H](C)C2 523962935 MOWUOYSYRAWHPV-QWRGUYRKSA-N 263.406 3.567 30 20 CHED CC[C@@H](c1ccccc1)N(CC)c1ccc(C#N)cn1 520152989 YNZKGXQSQRJZTQ-INIZCTEOSA-N 265.360 3.931 30 20 CHED C[C@H]1CCC[C@H](C)N(c2nccc(C#N)c2Cl)C1 342350959 QFRJWGKIPBYOHO-QWRGUYRKSA-N 263.772 3.622 30 20 CHED C=CCSCCN[C@@H](C)c1nc(C(F)(F)F)cs1 343728586 NWHZSHFTDXHPFK-QMMMGPOBSA-N 296.383 3.732 30 20 CHED C[C@@H](C#N)CN(C)CCCc1cccc2ccccc12 609894376 AESGATURKNYQRI-HNNXBMFYSA-N 266.388 3.864 30 20 CHED N#CCCSc1ccccc1NC(=O)c1ccco1 341806672 KWTCIATVSWNYGD-UHFFFAOYSA-N 272.329 3.538 30 20 CHED C=CCOc1ccc(CN[C@@H](C)[C@@H]2CC23CC3)cc1 527899462 RUJUFEHLDDLTGV-BBRMVZONSA-N 257.377 3.530 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)c2ccc(C#N)cn2)c1 523114623 YEWNABHZKJAYIP-CQSZACIVSA-N 265.360 3.768 30 20 CHED C[C@@H](NC(=O)c1csc(Cl)c1)c1ccc(C#N)cc1 344278551 VHBODWFPTWBUKA-SECBINFHSA-N 290.775 3.764 30 20 CHED COc1ccccc1CCCN1CCCC(C)(C)[C@@H]1C#N 444723741 ATBPDVYBKRQVPH-KRWDZBQOSA-N 286.419 3.642 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C)c(OC(F)F)c1 528584914 YDJTWFKPQUMLCQ-UHFFFAOYSA-N 296.317 3.865 30 20 CHED CC(C)(CC#N)CN[C@H]1CCc2cc(F)c(Cl)cc21 527912540 IQXMWKOSEWFSMG-AWEZNQCLSA-N 280.774 3.996 30 20 CHED C=CC[C@H]1N(CCn2nc(C)cc2C)CCCC1(C)C 444782239 IHGZTTORLLQIOR-MRXNPFEDSA-N 275.440 3.567 30 20 CHED C[C@H](CCC#N)CNC1(Cc2cccc(F)c2)CCC1 602623735 ZODMTJGQHRFOCW-CQSZACIVSA-N 274.383 3.820 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)NCC1CCC(C#N)CC1 529276391 YMUOSAXVHCOLDL-GTPINHCMSA-N 298.430 3.620 30 20 CHED CC(C)(C)c1nc(CN2CCC(CC#N)CC2)cs1 540994872 CZXUQQAOEUEEAC-UHFFFAOYSA-N 277.437 3.566 30 20 CHED C[C@H](CCC#N)CNC[C@H]1CCCO[C@H]1c1ccccc1 602520111 DLUGBNICJDMSQG-NXHRZFHOSA-N 286.419 3.684 30 20 CHED CCCCc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1 608820439 DXISLPXLVZKJIN-INIZCTEOSA-N 272.392 3.697 30 20 CHED CC(C)c1ccc(C(=O)NCC(C)(C)CCC#N)s1 359759417 UIGBSCOMJGZYJG-UHFFFAOYSA-N 278.421 3.931 30 20 CHED C[C@H](CCC#N)CNCCc1csc2ccccc12 602526824 GSRPJYVLNWGSOB-CYBMUJFWSA-N 272.417 3.973 30 20 CHED N#CCc1ccc(NC(=O)Cc2cc3ccccc3o2)cc1 604374973 SOUKXMOKYNRLHE-UHFFFAOYSA-N 290.322 3.680 30 20 CHED N#Cc1ncccc1NCC1(Cc2ccc(F)cc2)CC1 357468473 IAKJMNCUYPZAPY-UHFFFAOYSA-N 281.334 3.527 30 20 CHED C=CC[C@@H]1N(C(=O)NCCCCOCC)CCCC1(C)C 445266015 OVYZYMWERCDEDP-HNNXBMFYSA-N 296.455 3.579 30 20 CHED C=Cn1cc(CN(CC(=C)C)Cc2ccccc2)cn1 355223463 PUDYPFXHNZMWCD-UHFFFAOYSA-N 267.376 3.562 30 20 CHED CCN(C[C@@H](C)C#N)c1ncnc2sc3ccccc3c12 440648330 OEEMPDYMJBHUIQ-NSHDSACASA-N 296.399 3.830 30 20 CHED Cc1cc([C@@H](Nc2cccc(C#N)n2)C2CC2)ccc1F 534630993 ZFQINEDNXXNWSA-KRWDZBQOSA-N 281.334 3.964 30 20 CHED C=CCn1c(C2CCC2)nnc1N1C[C@H](C)c2ccccc21 350729924 OPKKPRMTJQZWRU-ZDUSSCGKSA-N 294.402 3.987 30 20 CHED CC(C)N(CCCNC1CCC(C)(C#N)CC1)C(C)C 449181128 FCWWYIPDIZBWDE-UHFFFAOYSA-N 279.472 3.557 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(C)c(Cl)c(C)c1 442492826 LYEAQGFXYATPRN-JTQLQIEISA-N 252.745 3.653 30 20 CHED COc1cc(C#N)cc(Cl)c1OC/C=C(/C)Cl 530159999 LRFXKSAALIFPKI-BAQGIRSFSA-N 272.131 3.742 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)C1 532334619 BHOWTRBTVVHAKM-UHFFFAOYSA-N 298.386 3.794 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(CCOCc3ccccc3)CC2)C1 442833460 HZJWLGNHWFRYOH-ZWKOTPCHSA-N 298.430 3.655 30 20 CHED CC1(C)CCCN(C(=O)NCC(C)(C)CCC#N)CC1 358701171 YNGNMPDDBQLNKH-UHFFFAOYSA-N 279.428 3.538 30 20 CHED N#CCCN(Cc1cc2ccccc2[nH]1)Cc1ccco1 619067561 MLEFCVNKYYALDO-UHFFFAOYSA-N 279.343 3.677 30 20 CHED CC(C)c1cccc2c1CCN(c1cccnc1C#N)C2 357706663 PZNDFSXHUORRSL-UHFFFAOYSA-N 277.371 3.639 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 448814720 ZTYBGPXZTGFJMQ-BZSNNMDCSA-N 283.415 3.680 30 20 CHED CC(C)COc1cccc(CN(CC#N)C2CCCC2)c1 538281565 MGVDJEDRVXCTPC-UHFFFAOYSA-N 286.419 3.990 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(C)n(C)nc2c1 355244865 BMDPEGYIRONUST-UHFFFAOYSA-N 283.375 3.589 30 20 CHED CC1(C)CN(c2ccc(Cl)c(C#N)n2)Cc2ccccc21 534630115 HGPMNOBUVWZOQD-UHFFFAOYSA-N 297.789 3.904 30 20 CHED COc1cc2ccccc2cc1CNCC1(CC#N)CC1 449302573 VYOZDMDSXAPIIW-UHFFFAOYSA-N 280.371 3.632 30 20 CHED CC(C)CSCCN[C@H]1CCc2ccc(C#N)cc21 353266114 JCDPWCMWKMMOIE-INIZCTEOSA-N 274.433 3.524 30 20 CHED CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2ccco2)no1 351000003 HPTYDCXOKROGHF-UHFFFAOYSA-N 297.289 3.666 30 20 CHED CC[C@@H](C)[C@H](C)NCCSCc1ccccc1C#N 536856950 IBMKJZMJGJBDQP-KGLIPLIRSA-N 276.449 3.816 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1Cc1ccccc1C#N 610001856 HHJRGMJALQSTGC-RHSMWYFYSA-N 256.393 3.959 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)c(F)cc1[N+](=O)[O-] 359954880 RGEMTAVEIMWAOX-UHFFFAOYSA-N 279.315 3.784 30 20 CHED CC(C)[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 442884220 GRFLCZMCHKLMAX-WMLDXEAASA-N 256.393 3.987 30 20 CHED N#CCn1c(/C=C/c2cc(C#N)cs2)nc2ccccc21 352005293 COSVDCPMINFSHF-AATRIKPKSA-N 290.351 3.663 30 20 CHED C[C@H](CN(CC#N)C1CCCC1)c1cc(F)cc(F)c1 449030658 SDFTWCIDIYFXNO-GFCCVEGCSA-N 278.346 3.836 30 20 CHED N#Cc1cc(NC(=O)N[C@H]2CC23CCCCC3)ccc1F 357075100 VCQKOBLNIKIGCF-AWEZNQCLSA-N 287.338 3.542 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1COc2cc(F)cc(F)c21 612113697 AZNDIJVIHAPGFO-CYBMUJFWSA-N 290.244 3.521 30 20 CHED CC(C)(CCC#N)CNc1ncnc2[nH]c3ccccc3c12 450528389 PHNXYNGQTAVJBM-UHFFFAOYSA-N 293.374 3.853 30 20 CHED CN(C(=O)c1ccc(C#N)[nH]1)C1CCC(C(C)(C)C)CC1 269699762 LZSABZPWOMEOCP-UHFFFAOYSA-N 287.407 3.563 30 20 CHED COC(C)(C)C[C@@H](C)Nc1nc(C(C)(C)C)ccc1C#N 613425992 NXALGHHXKBYQJU-GFCCVEGCSA-N 289.423 3.866 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c(OC)c2)CCCC1 450967288 HROBUMRWHNOIOT-UHFFFAOYSA-N 277.339 3.909 30 20 CHED CCN(CC)C[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 530714327 DVQVFHVYUJGCEL-OALUTQOASA-N 299.462 3.548 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccccc2OCC)C1 617787707 VLQQWCUPBZZVFU-CQSZACIVSA-N 273.376 3.514 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 455236257 YEPUOAYTXCGHKU-MRXNPFEDSA-N 290.363 3.672 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(C)cccc1Cl 455145356 CLHZOQGBLOMAFZ-UHFFFAOYSA-N 266.772 3.982 30 20 CHED C[C@H](CCC#N)CN1CCN(C)c2ccc(Cl)cc21 619568718 XLPNYUHKVJBAOF-GFCCVEGCSA-N 277.799 3.536 30 20 CHED C[C@@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)c1cccc(F)c1 274296149 DUSBJWYLYZKEBR-YVEFUNNKSA-N 290.382 3.764 30 20 CHED C=CCCC(=O)NCC1(Nc2ccccc2C)CCCC1 615876911 MQWFUQZBIIRJRM-UHFFFAOYSA-N 286.419 3.802 30 20 CHED C=C(C)CNC(=O)c1c(F)ccc(SCC2CC2)c1F 450778652 LZXQYOHXGVOXQR-UHFFFAOYSA-N 297.370 3.773 30 20 CHED CCC[C@@H](NC(=O)c1cc(C#N)cs1)C(C)(C)C 452661916 LHBKPXRHVMCAKH-GFCCVEGCSA-N 264.394 3.564 30 20 CHED C=CC(C)(C)CNC(=O)NCc1ccc(NCCC)cc1 458715692 JYHPENIZWIWOGB-UHFFFAOYSA-N 289.423 3.520 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1nc2c(s1)CCC2 459628116 CORNVZJOLUSNGI-GHMZBOCLSA-N 250.411 3.637 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(C#N)c1 540895298 UWZFRAUBQLITLE-SCLBCKFNSA-N 290.366 3.612 30 20 CHED COc1ccsc1CNc1ccccc1O[C@H](C)C#N 272408509 BPUXNEDPXYZVGI-LLVKDONJSA-N 288.372 3.660 30 20 CHED CC(C)CC1(CNC(=O)Nc2cccc(CC#N)c2)CC1 455914224 FVLXUWWKEKPLBJ-UHFFFAOYSA-N 285.391 3.700 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 455563122 IOEGYTGPCZCEPG-MFKMUULPSA-N 298.308 3.630 30 20 CHED CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccncc1 453176251 QITVWNFZXUSTML-QGZVFWFLSA-N 277.371 3.683 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCC(C)(C)CC#N 459260331 PKVRNXHZHWKCPJ-UONOGXRCSA-N 279.428 3.536 30 20 CHED C=C(C)CCNC(=O)c1ccc(C)c(Cl)c1Cl 452744892 WRJZZHKYVJBBGV-UHFFFAOYSA-N 272.175 3.998 30 20 CHED Cc1ccc2cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)ccc2n1 274361794 UGUZSEOGVUPSDC-SFHVURJKSA-N 295.386 3.601 30 20 CHED COCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccco1 272397172 DQQCHPYDGQVABB-XJKSGUPXSA-N 284.359 3.580 30 20 CHED C=CCCCC(=O)N1C[C@H]2CCCCN2c2ccccc21 360051607 GNWSYXIDPMRTAE-OAHLLOKOSA-N 284.403 3.748 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)NCC(C)(C)CC#N 458674193 WJCGTZXATJITAV-CQSZACIVSA-N 287.407 3.604 30 20 CHED C=CCN(C(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)c1ccccc1 627376638 JBUMRZBONMVWBN-CEXWTWQISA-N 289.378 3.792 30 20 CHED CCC(CC)(C(=O)NCCCC#N)c1ccc(Cl)cc1 273054922 RPOMPFZIUNWJLJ-UHFFFAOYSA-N 292.810 3.818 30 20 CHED C=CCN(CCc1ccco1)C(=O)CCc1ccsc1 272437910 IISJHBPIIGPKRR-UHFFFAOYSA-N 289.400 3.531 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1CCc2cc(F)ccc21 620864943 UVMVBXZOBKQKGV-OAHLLOKOSA-N 275.367 3.717 30 20 CHED C=C(C)CNC(=O)c1oc2ccc(CCC(C)=O)cc2c1C 548637772 FVXLRVYZSIBKBA-UHFFFAOYSA-N 299.370 3.569 30 20 CHED N#Cc1cccc(CCNC2CC(c3cccc(F)c3)C2)c1 373019849 JIXCLJZBWGCHSA-UHFFFAOYSA-N 294.373 3.776 30 20 CHED CC(C)(C#N)CCCC[S@](=O)Cc1ccc(F)cc1F 277947757 QWTDNXBGECRGDU-FQEVSTJZSA-N 299.386 3.934 30 20 CHED N#Cc1cccc(Sc2cnc3cc(F)c(F)cc3n2)c1 467792362 FAMILOOYMBKDIP-UHFFFAOYSA-N 299.305 3.931 30 20 CHED C=CCCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 468376444 CUZJYUDDJUHXNK-WDEREUQCSA-N 281.758 3.665 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCOc1cccc(Cl)c1 555554523 LPANGLPGEQHNDP-CQSZACIVSA-N 293.794 3.676 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cc(OC)c(OC)cc1F 467412412 SFWGFLQUGDPRLE-VXGBXAGGSA-N 281.371 3.848 30 20 CHED CC[C@@](C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 289027950 KTIKMCYAXVGABN-ZMMAXQRCSA-N 296.414 3.863 30 20 CHED Cc1ccnc(N2CC(C)(C)[C@@H]2c2cccs2)c1C#N 288176520 IUKBHIQFEWBCAR-AWEZNQCLSA-N 283.400 3.911 30 20 CHED C=CC[C@H](CC)NC1CCN([C@H]2CCCC[C@@H]2C)CC1 467404089 JFHAKKSGGFXKPY-BQFCYCMXSA-N 278.484 3.974 30 20 CHED C=CCC[C@H](NCC1(O)CCCCCC1)c1ccco1 552046331 FBVHDLKSTLGGPG-HNNXBMFYSA-N 277.408 3.962 30 20 CHED CCCCCCCCCCC(=O)N(C)c1ncccn1 289136450 YDTQCYSXJLJCGX-UHFFFAOYSA-N 277.412 3.970 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](c2ccco2)C1 377726326 XIXKVIIRODBKBZ-CZUORRHYSA-N 266.344 3.702 30 20 CHED C=Cc1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1 285106423 WTVKPSHFKQUNJN-UHFFFAOYSA-N 270.376 3.874 30 20 CHED CC(C)c1cc(=NCC(C)(C)CCC#N)[nH]c(C(C)C)n1 558044839 UTQCHAJHSQWYOA-UHFFFAOYSA-N 288.439 3.887 30 20 CHED C#Cc1ccc(CNCCc2c[nH]c3cc(C)ccc23)cc1 809611878 APJHHVCSZORCRM-UHFFFAOYSA-N 288.394 3.790 30 20 CHED C=CC[C@@H](C(=O)N1CCC(CF)CC1)c1ccccc1 295515182 AJYAWHUNNGHZAJ-MRXNPFEDSA-N 275.367 3.554 30 20 CHED Cc1sccc1CNC1(c2cccc(C#N)c2)CC1 293313507 QKICGULHPFQPLH-UHFFFAOYSA-N 268.385 3.707 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(SC)ccc1C 806391946 WZDJWXPHXTUJBV-GFCCVEGCSA-N 276.405 3.640 30 20 CHED N#Cc1sc(N[C@@H]2C[C@H]2c2cccc(F)c2)nc1Cl 804673847 LOTPTDWNTWVKGM-VHSXEESVSA-N 293.754 3.775 30 20 CHED CC[C@@H](NCCC1(OC)CCC1)c1ccc(C#N)cc1 293619401 FRBDWTFNVXOCHJ-MRXNPFEDSA-N 272.392 3.558 30 20 CHED Cc1nsc(N2CC[C@@H](c3ccccc3)[C@H]2C)c1C#N 565379921 RDJPCVDYZHOABU-TZMCWYRMSA-N 283.400 3.706 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCC1Cc3ccccc3C1)CC2 565804548 ZMEHQDHUCGFTQR-FQEVSTJZSA-N 288.394 3.550 30 20 CHED C[C@@H](C#N)OCCN[C@@H](CC(C)(C)C)c1ccc(F)cc1 801937478 NWDWIJNFYIPEEV-BBRMVZONSA-N 292.398 3.821 30 20 CHED N#Cc1cc(NC[C@H]2CCCCC2(F)F)ccc1[N+](=O)[O-] 295010804 SXQYUJUAWAFLOM-LLVKDONJSA-N 295.289 3.704 30 20 CHED C[C@H]1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)c2ccccc21 809159201 KFWIWVYDNFOVLP-WWNSAXIVSA-N 295.294 3.684 30 20 CHED CC[C@H](C)CCC(=O)Nc1cc(C#N)c2ccccc2n1 561840737 NNPVGEUXNRFANO-LBPRGKRZSA-N 281.359 3.871 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCC[C@@H]2CCCF)c1 800814969 GQTZGJFVQBDUCD-LLVKDONJSA-N 294.761 3.924 30 20 CHED C[C@H]1CC(CCNc2snc(Cl)c2C#N)C[C@H](C)O1 801673647 CEOZLZBVIMQXIS-IUCAKERBSA-N 299.827 3.674 30 20 CHED C[C@@H](NN=Cc1ccc(C(C)(C)O)cc1)c1ccccc1 807967094 WPKKENNUKMLABB-CQSZACIVSA-N 282.387 3.599 30 20 CHED C/C(=C\C(=O)Nc1ccc(C#N)c(F)c1)c1ccc(F)cc1 813259182 VTKISYCITXGZAN-DHZHZOJOSA-N 298.292 3.878 30 20 CHED C#CCCCC(=O)Nc1cc(Cl)ccc1OC(F)F 819716016 LDYWGGHMKJQICB-UHFFFAOYSA-N 287.693 3.683 30 20 CHED CC[C@@H](CC#N)NCc1csc(Cc2ccccc2)n1 566429504 UHYGYOAANDQIBE-AWEZNQCLSA-N 285.416 3.516 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@H]1[C@H](C)CCC 810604868 AAPUXLLOXDEHON-QAPCUYQASA-N 283.415 3.638 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)c1ccc(C#N)cn1 566596342 DYFYVHHVTFJASW-UHFFFAOYSA-N 293.370 3.639 30 20 CHED CCC(=NNc1ccc(Cl)nn1)c1ccc(F)cc1F 814698264 XCYQUSGNYQGZQB-UHFFFAOYSA-N 296.708 3.634 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1cccc(C#N)c1)C(C)C 482994457 WUILOSDGOOOBMW-GOSISDBHSA-N 292.382 3.994 30 20 CHED CC(C)c1ncc(/C=C\c2ccncc2C#N)s1 567152741 PXIGPAMQWJZTBI-ARJAWSKDSA-N 255.346 3.704 30 20 CHED CCCCCCCCCNC(=O)c1cn(C)nc1C1CC1 811875209 KKJUVPKIDONUJI-UHFFFAOYSA-N 291.439 3.778 30 20 CHED C=CCCN[C@H](C)[C@H](C)c1nc2ccccc2s1 658116964 PLAZMCXXNGZXSP-NWDGAFQWSA-N 260.406 3.954 30 20 CHED CCC[C@H](C)C(CC)=NNc1nc(-c2cccnc2)no1 814949232 CYLHHNNBOVHXAS-NSHDSACASA-N 287.367 3.746 30 20 CHED CCCCCC[C@@H](CC)C(=O)N[C@@H]1CC[C@H](C#N)C1 819632094 OVDMQYQKLGIOSC-RRFJBIMHSA-N 264.413 3.791 30 20 CHED C=CCCCCCCCNC(=O)c1ccc2cccnn12 811590324 XKEBXTLWWBDLKB-UHFFFAOYSA-N 285.391 3.591 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCCC[C@H]1C[C@H]2CC[C@H]1C2 816024946 KCJMATMFNSSWTN-KBMXLJTQSA-N 298.386 3.635 30 20 CHED C=CCCC1(c2nc(Cc3cc(C)ccc3OC)no2)CC1 578280285 WKBXTGPMQYRGGB-UHFFFAOYSA-N 298.386 3.975 30 20 CHED CCOc1ccc(NN=C(CC)c2ccco2)cc1 814985188 WJDUSDTZOXSCRO-UHFFFAOYSA-N 258.321 3.905 30 20 CHED CC(C)(C)[C@H]1CC(=NOCc2cccnc2)CS1 814883897 GUJJMIFECUSPRU-CYBMUJFWSA-N 264.394 3.506 30 20 CHED Cl/C=C/CON=Cc1ccc(OCC2CC2)cc1 811671378 DJUDQRTUASWEDR-DFLNIFAUSA-N 265.740 3.578 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCCC[C@H]1C 811665649 RPCGOEYTROVUJI-ZIAGYGMSSA-N 260.381 3.610 30 20 CHED CSC(C)(C)CC=NNc1cccc(Cl)n1 814939665 YEGCKVAZUOSDCA-UHFFFAOYSA-N 257.790 3.664 30 20 CHED N#Cc1c(F)cccc1/C=C1\Cc2ccccc2C1=O 811684896 DXIMKPOXXZCJIE-UKTHLTGXSA-N 263.271 3.520 30 20 CHED CCOCC(C)=NN[C@H](C)c1ccc(C(C)C)cc1 726420669 SJYOMHNXNOFRSQ-CQSZACIVSA-N 262.397 3.873 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H](OC)C1 728036057 OPAKHODPUQGFGQ-HNNXBMFYSA-N 269.429 3.765 30 20 CHED C=CCCOC(=O)c1cc2cc(Br)ccc2o1 729072567 ODPZMMQOFFAAOK-UHFFFAOYSA-N 295.132 3.928 30 20 CHED C=CCCCN1CCO[C@H](c2ccc(F)cc2Cl)C1 481597647 YBIBQIZASQUCCZ-HNNXBMFYSA-N 283.774 3.819 30 20 CHED Cc1c(C#N)c(NC[C@@H]2CCC=CO2)nc2ccccc12 827979791 WNRJWMCQKFOXCF-ZDUSSCGKSA-N 279.343 3.520 30 20 CHED C=C[C@H]1CCCCN1c1cccc(C(=O)OC(C)(C)C)n1 570933996 ULVUTYVIWOXGOF-ZDUSSCGKSA-N 288.391 3.582 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@](C)(C#N)C2CCCCC2)C1 571706257 YTIOMWASFBXILF-CKEIUWERSA-N 276.424 3.791 30 20 CHED Cc1nc(C#N)c(NN=C2CCC[C@@H]2CCC(C)C)o1 727255296 NIZFGJJMEROUHW-GFCCVEGCSA-N 274.368 3.859 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)Cc1cccs1 663658257 KPUKAJRJXZAHAA-LBPRGKRZSA-N 280.437 3.723 30 20 CHED C/C(=C\c1ccccc1C(F)(F)F)CNC[C@H](C)C#N 580097910 LIOWXXALRRDVCV-YTRUQHMWSA-N 282.309 3.858 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(-c2ccccc2)cc1 588595253 YLIZKTSMPJWUAI-XFXZXTDPSA-N 288.350 3.983 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)CCCCCC#N 588672983 WEAWVALIWGVOHU-NEPJUHHUSA-N 290.329 3.650 30 20 CHED Cc1cc([C@H](C)NCC2(C#N)CCC2)cc(C)c1F 828698928 POUDQOOEVXWRAQ-ZDUSSCGKSA-N 260.356 3.787 30 20 CHED C[C@@H]1CCCC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 580982571 VCYFKEACMMHYMQ-CSMYWGQOSA-N 254.377 3.714 30 20 CHED Cc1ccccc1C1(CNC(=O)CCCCCC#N)CC1 588155945 CXTYPHJSUWAUBL-UHFFFAOYSA-N 284.403 3.617 30 20 CHED CCOc1cc(CN(CCC#N)C(C)C)cc(Cl)c1O 582770797 HDAPLMQMAIGANW-UHFFFAOYSA-N 296.798 3.568 30 20 CHED CC[C@H](NCCc1nc(C)cs1)c1cccc(C#N)c1 902741930 IJUCXARRXSPQSP-HNNXBMFYSA-N 285.416 3.607 30 20 CHED C=CC[C@@H](NC(=O)/C=C/c1ccccc1F)c1ccncc1 734456866 DOYOMMXWZPDMMK-KBOKABMXSA-N 296.345 3.668 30 20 CHED N#CCCCCCC(=O)N[C@@H](c1ccccc1)C1CC1 588274124 FWJIQPKGRLJOQP-KRWDZBQOSA-N 270.376 3.728 30 20 CHED C=CCC1(NC(=O)Nc2ccc(SC)cn2)CCCC1 666651685 UCZCGTBNWMJJNZ-UHFFFAOYSA-N 291.420 3.814 30 20 CHED CCCC[C@H](C)N(C)C(=O)CCc1ccc(C#N)cc1 582393517 JQHGEMRTOHQWAR-AWEZNQCLSA-N 272.392 3.528 30 20 CHED CN(C(=O)C#CC(C)(C)C)[C@H]1CCC[C@@H]1c1ccccc1 837927027 FNSHFJTTXQRKNQ-SJORKVTESA-N 283.415 3.831 30 20 CHED CC#CCN(C)C(=O)C1(c2cccc(F)c2)CCCCC1 583586222 IQSMQMQNMNPUNX-UHFFFAOYSA-N 287.378 3.509 30 20 CHED C#CCC[C@@H](C)OC(=O)Cc1csc(-c2ccccc2)n1 839035726 ZNBMRZXUBMVBEZ-CYBMUJFWSA-N 299.395 3.698 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C)cc(C)n2)C1 664332325 DPWUGHUSTVJKMY-AWEZNQCLSA-N 273.380 3.518 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](c1ccccc1)C1CC1 494238855 UGAVOZFAUPJSLD-SJORKVTESA-N 284.403 3.888 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@@H](C)C[C@@H]1c1cccnc1 588204776 OCIRGUNKRBERJC-IFXJQAMLSA-N 291.398 3.845 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(SC)ccc1Cl 667467582 BPRKRYOGEZRTAR-QMMMGPOBSA-N 270.785 3.758 30 20 CHED C/C(C=NN[C@@H](C)C(F)(F)F)=C/c1ccccc1 834997358 XTARCFREJHFKPK-LNABPEFLSA-N 256.271 3.616 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C)c(F)cc1Cl 905475858 WUWMFJYYPDZYFH-HZMBPMFUSA-N 297.757 3.707 30 20 CHED C=C(C)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 839650358 LMJITKAGOONPGU-LLVKDONJSA-N 292.232 3.503 30 20 CHED C=CC(C)(C)COC(=O)CCc1ncc(C(C)(C)C)o1 835720964 FMQFWRWOVMARID-UHFFFAOYSA-N 279.380 3.660 30 20 CHED O=C(C[C@H]1CCc2ccccc21)N(O)Cc1ccc(F)cc1 900094020 GBRULNKHPICBSF-OAHLLOKOSA-N 299.345 3.664 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccccc1OCC(C)C 834417464 PLXFBDOBOBDJNW-MDZDMXLPSA-N 298.386 3.659 30 20 CHED C=CCC(C)(C)C(=O)N(c1nc2ccccc2o1)C1CC1 905869995 NWCJLTMSKMXUMU-UHFFFAOYSA-N 284.359 3.926 30 20 CHED COc1cc2ccccc2cc1C=NN[C@H](C)C(F)(F)F 834999240 SZKNOEJZGPSSSB-SNVBAGLBSA-N 296.292 3.723 30 20 CHED CC[C@@H](NCc1ccccc1COC)c1cccc(C#N)c1 902733170 OBIFBUZFHJLNRP-LJQANCHMSA-N 294.398 3.946 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](C2CC2)C1 588977783 IVPKPXQKFKKROK-SUMWQHHRSA-N 254.377 3.741 30 20 CHED C#CCOc1cccc(OC(=O)c2coc3ccccc23)c1 733219080 RIHVDGLOHNSDHW-UHFFFAOYSA-N 292.290 3.664 30 20 CHED C#CCCCCCCOC(=O)C[C@H](C)c1c(C)noc1C 835715004 SCYADFGMHBUJHI-ZDUSSCGKSA-N 291.391 3.912 30 20 CHED CC(C)C1CCC(N(C)C(=O)Cc2cccc(C#N)c2)CC1 581921485 WLSRXIRXLMQVBG-UHFFFAOYSA-N 298.430 3.774 30 20 CHED CC[C@@H](Nc1ccc(CCO)cc1)c1cccc(C#N)c1 902919448 JCRJSDMVTYFCBE-GOSISDBHSA-N 280.371 3.656 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ncc(F)cc1F 835022889 VCMSYMDKMVYIBU-NXEZZACHSA-N 253.296 3.584 30 20 CHED Cc1cccc2cc(C(=O)N3CCC[C@](C)(C#N)C3)sc12 588927613 XIGVHADSIXUQCV-QGZVFWFLSA-N 298.411 3.976 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 675157237 OANBOMZZIMGJMG-WMZOPIPTSA-N 269.388 3.601 30 20 CHED Cc1ccc2nc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)ccc2c1 839061699 GIORUNWCUUFDQA-HIFRSBDPSA-N 294.354 3.782 30 20 CHED C=CCC1(C(=O)OCc2c(C)noc2C)CCCCC1 838150152 LXKZHGYVNFUWGU-UHFFFAOYSA-N 277.364 3.861 30 20 CHED C=CCCCOC(=O)c1csc(-c2ccc(O)cc2)n1 735535059 REQBWWMYMJDOCT-UHFFFAOYSA-N 289.356 3.639 30 20 CHED CC[C@H](C)CC=Nn1c(S)nnc1-c1ccc(C)cc1 834923431 JGENNHRFZICLSE-NSHDSACASA-N 288.420 3.812 30 20 CHED CCCn1c(C=NNc2ccccc2)nc2ccccc21 917530760 ZKSJKSAAYUUDKU-UHFFFAOYSA-N 278.359 3.892 30 20 CHED Cc1cc(Cl)ccc1NC(=O)NCc1ccc(C#N)cc1 916409592 DBGUPZBPKNLYMH-UHFFFAOYSA-N 299.761 3.842 30 20 CHED N#C[C@@H](c1ccccc1)N1CCOC2(CCCCCC2)C1 595347179 NRVFAOFAPJOSPT-KRWDZBQOSA-N 284.403 3.676 30 20 CHED C/C(=C/C(=O)OCc1ccc(C#N)cc1F)c1ccccc1 917978960 QWDVEVLEDBATMG-LCYFTJDESA-N 295.313 3.844 30 20 CHED Cc1ccc(N2CCN([C@H](C)CCC#N)[C@H](C)C2)cc1C 839504600 LUZLBMDYGQKRSI-IAGOWNOFSA-N 285.435 3.506 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@H](F)CC2CCCCC2)C1 839060903 ZORHMQKUOAVWKC-RBSFLKMASA-N 281.371 3.920 30 20 CHED CCCCCCCC(=O)N(C)C1CCN(CCC)CC1 918704384 AFKANUVHOFCVHI-UHFFFAOYSA-N 282.472 3.680 30 20 CHED C=CCN(C(=O)Nc1ccc2ccn(C)c2c1)C(C)C 743203611 OWIGERLNBYZZJO-UHFFFAOYSA-N 271.364 3.607 30 20 CHED C=CCN(CCC(C)(C)CC(=O)OCC)C(C)(C)C 595764406 BANBJPQAQFDTRM-UHFFFAOYSA-N 269.429 3.642 30 20 CHED CC(CCCCC#N)=NNc1cccc(C(=O)O)c1C 844622494 DMZDHMYZRLAIPR-UHFFFAOYSA-N 273.336 3.565 30 20 CHED COc1ccc([C@@H](C)CC/N=C/c2cccc(O)c2O)cc1 741465382 VCAAAIDJZQCIKS-HCZVKUGISA-N 299.370 3.719 30 20 CHED Cc1ccccc1SCC(=O)[C@H](C#N)c1ccccc1 917136909 QMQAQZUOWIIRCD-OAHLLOKOSA-N 281.380 3.964 30 20 CHED Fc1ccc(NN=Cc2cc(F)ccc2F)cc1 915935150 UKBVLLMKPOUEKY-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CC(C)[C@H]1CCCC1=NNc1nc(-c2ccccc2)no1 747750911 FZROGHFYHNNIBJ-CYBMUJFWSA-N 284.363 3.961 30 20 CHED C[C@@H](OC(=O)c1ccc(C(F)F)cc1F)C(C)(C)C#N 847666702 AZUUPPRTHQOCKF-MRVPVSSYSA-N 285.265 3.858 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 593745024 YKFRUYRXNWBJPM-HDEZJCGLSA-N 284.403 3.625 30 20 CHED CCc1ccc(C(C)=NNc2cncc(Cl)n2)s1 914557184 NRMXRMQSDXRJQP-UHFFFAOYSA-N 280.784 3.590 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC)c1ccccc1OC 916496408 BSFXDHRIDGYBEL-HNNXBMFYSA-N 290.407 3.754 30 20 CHED Cc1cc([C@@H](C#N)C(=O)C[C@H](C)CC(C)(C)C)nc(C)n1 916880119 KNUVDASPWXFRRK-SMDDNHRTSA-N 287.407 3.732 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cc(COC)cs1 849247669 VQKNZOGEWLOZTN-SNAWJCMRSA-N 287.384 3.748 30 20 CHED Cc1cc(-c2cccc(C#N)c2)cc(C)c1N1CCCC1=O 592578026 ZOGIKNZJSOVNPV-UHFFFAOYSA-N 290.366 3.969 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C(C)(C)C)C1 594003961 JUGMXSXVNNHSMU-PBHICJAKSA-N 298.430 3.631 30 20 CHED COc1ccc(C)cc1[C@H](C)N[C@@H](C#N)c1ccccc1 595408821 MQSYASINYPGIAF-YOEHRIQHSA-N 280.371 3.919 30 20 CHED CCOc1ccc(/C=C\C(=O)c2c(C)nn(C)c2C)c(C)c1 849246065 PEQIFBYPOHPPDA-NTMALXAHSA-N 298.386 3.640 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C(C)C 747373662 MQOSCNGLFSABEF-CABCVRRESA-N 277.795 3.867 30 20 CHED CCO[C@H](CC)c1noc(-c2ccc(C3(C#N)CC3)cc2)n1 596622015 SFQVDXCIEBHXJN-CQSZACIVSA-N 297.358 3.779 30 20 CHED CC[C@@H](C#N)C(=O)N1CC=C(c2ccccc2Cl)CC1 593571384 HDBNGPPRDHBFHM-LBPRGKRZSA-N 288.778 3.505 30 20 CHED CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C1CCCCC1 595093729 ONLUPMRDPNRJMK-RBUKOAKNSA-N 298.430 3.730 30 20 CHED C[C@H](CN1CCC[C@](C)(C#N)C1)c1cc(F)cc(F)c1 590648737 CGUAKAHVNDVGPO-MLGOLLRUSA-N 278.346 3.694 30 20 CHED C[C@@H](C#N)N(Cc1cccc2ccccc12)C1CC1 595720506 JDOKHTKTIGCAFQ-ZDUSSCGKSA-N 250.345 3.716 30 20 CHED CC(Cc1ccccc1C)=NNc1nc2ccccc2n1C 743437011 HSKLQJUGXJDEOP-UHFFFAOYSA-N 292.386 3.912 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H](C)c2cccc(C)c2)c1 741395594 PBMRQPJYWHIWMR-HNNXBMFYSA-N 292.382 3.902 30 20 CHED CC(C)Oc1cccc(CN2CCC[C@@H](CC#N)C2)c1 595610722 ANIVKNFXCRUFOD-HNNXBMFYSA-N 272.392 3.599 30 20 CHED CC(C)(CCC#N)CNCc1ccc(F)c(F)c1F 594959798 XOUKJZRBPXKUHH-UHFFFAOYSA-N 270.298 3.523 30 20 CHED Cc1cc(C=NNc2cccc(Br)c2)c(C)[nH]1 745987716 JPMJNXVIAPHLHJ-UHFFFAOYSA-N 292.180 3.840 30 20 CHED CS[C@@H]1CCC[C@H](N[C@H]2CCc3cc(C#N)ccc32)C1 922072662 MWXFILKXIWGBKM-UXLLHSPISA-N 286.444 3.809 30 20 CHED C=CCCOCc1nc(-c2cccc(OC(C)C)c2)no1 680731662 RKTHQYFMBWLLHI-UHFFFAOYSA-N 288.347 3.617 30 20 CHED CCCCCCCCNC(=O)c1cn(C(C)C)nc1C 846930335 BHQRBUMLUIHJPU-UHFFFAOYSA-N 279.428 3.863 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCCOc1ccc(F)cc1 924644201 UYJKCQAQPWZPGM-AWEZNQCLSA-N 292.398 3.903 30 20 CHED C=CCC1(c2nc(Cc3ccccc3F)no2)CCC1 685213738 HEGIKXUAMCNLQE-UHFFFAOYSA-N 272.323 3.797 30 20 CHED CCOc1ccc(/C=N/C[C@H]2CC=CCC2)c(O)c1 920990844 GAHBMSJTDDMYGA-VLURKWGBSA-N 259.349 3.566 30 20 CHED CCc1ccc(C=NOCc2ccccc2F)cc1 853971228 TXGXIZHUQSFYSO-UHFFFAOYSA-N 257.308 3.939 30 20 CHED CC1(C)CCc2cc(C=NO[C@H]3CCCCO3)ccc2O1 755817321 ZEHLJCBQYIANME-INIZCTEOSA-N 289.375 3.667 30 20 CHED C#CCCOC(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 859168151 DLVRHDCTWKTOHA-LBPRGKRZSA-N 297.276 3.703 30 20 CHED COc1ccc([C@H](C)C(C)=NO[C@@H]2CCCCO2)cc1 755820537 WNWIRLLGLAIOAS-MLGOLLRUSA-N 277.364 3.718 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1csc(C=O)c1 755007643 JWZNLNOOJQZJDM-UHFFFAOYSA-N 291.416 3.769 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C1\CC[C@@H](C)C1 753581902 GLAVLECCWVGYQA-OVGFGYAMSA-N 299.414 3.956 30 20 CHED COc1cc(F)cc(NN=C2CC(C)(C)OC2(C)C)c1 759209775 JDTOXHYPRBZEDL-UHFFFAOYSA-N 280.343 3.580 30 20 CHED 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3.617 30 20 CHED C=C1CCN(c2nnc(C3CC=CC3)n2CC(C)C)CC1 1122716921 DXUHMMXFRZQBJF-UHFFFAOYSA-N 286.423 3.524 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(C#N)c(F)c1 777907642 YOFBLCMMLRYPPA-UHFFFAOYSA-N 288.713 3.582 30 20 CHED Clc1nc(N2CCCC2)sc1C=NOC1CCCC1 774596452 FKSGKDRIWNHTSH-UHFFFAOYSA-N 299.827 3.690 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@H]2c2cccc(C)c2C)n1 882012754 QLGPMHPEHGGSJF-KRWDZBQOSA-N 292.386 3.615 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1C 789060262 HGPKTNDCXSDCRW-UHFFFAOYSA-N 291.354 3.673 30 20 CHED CC(=NNc1cccc2ccccc12)c1cc(C)nn1C 789000314 GYXFNIHLDJRNHF-UHFFFAOYSA-N 278.359 3.718 30 20 CHED CCSc1ccccc1[C@H](C)NCc1ccc(C#N)cn1 783294208 MWBDTBATPNQUOR-ZDUSSCGKSA-N 297.427 3.916 30 20 CHED CCCC(=NNc1ncccc1[N+](=O)[O-])c1ccsc1 785458035 WVOBHYZVJYLDSP-UHFFFAOYSA-N 290.348 3.668 30 20 CHED C[C@@]1(C#N)CCCN(C(=S)Nc2ccccc2Cl)C1 783773032 JVICWNDISXYKGH-AWEZNQCLSA-N 293.823 3.662 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cnn(C(C)C)c1C 787163229 UQNDSPMECQOADF-UHFFFAOYSA-N 291.786 3.657 30 20 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CC(C)(C#N)C(=O)N1CCCc2c(Cl)cc(Cl)cc21 411093501 DTTUJBGRLCOZEN-UHFFFAOYSA-N 297.185 3.822 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@H](C)C[C@@H](C)O)c2c1 78298949 VZMZJGZWKBYLHI-TZMCWYRMSA-N 297.402 3.542 30 20 CHED Cc1nc(NC[C@H]2CC=CCC2)c(Cl)cc1C#N 336792524 SJKRBFAHQOEQAX-NSHDSACASA-N 261.756 3.683 30 20 CHED CC(C)c1nc(COc2cccc(C#N)c2)cs1 42255787 FHTGJSJNIPVJOD-UHFFFAOYSA-N 258.346 3.717 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2ccccc2C)cc1 49893822 DPELXUYVSXAUPT-SFHVURJKSA-N 292.382 3.894 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc3[nH]ccc23)CCC1=O 328936592 FYYLVTVMXXZOQF-WDEREUQCSA-N 270.332 3.761 30 20 CHED Cc1cc2cc(CNCC3(C#N)CCC3)oc2cc1C 418137177 DICWGKWUUPFWAU-UHFFFAOYSA-N 268.360 3.833 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@@H]2c2ccccc2)c1 47705359 PYEKAKWQTAVUHN-MRXNPFEDSA-N 277.327 3.537 30 20 CHED C=C(C)CN1CCC(NC[C@@H]2C(C)=CCC[C@H]2C)CC1 134166266 BYGFQHGMGDOZPS-SJLPKXTDSA-N 276.468 3.609 30 20 CHED CCN(C(=O)c1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 45499037 BNMUAFTZXNGYLH-ZDUSSCGKSA-N 296.345 3.921 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccnc(Cl)c1 195411524 UGOLPZVQDLFDHT-UHFFFAOYSA-N 288.753 3.510 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2cccc(C)c2)cc1 49893824 AGKFQKDBJXYUEP-SFHVURJKSA-N 292.382 3.894 30 20 CHED N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCC1)c1ccccn1 49457403 AHZXMWATIWVUPD-OAHLLOKOSA-N 294.329 3.519 30 20 CHED C=CCN(CCC#N)Cc1csc2ccccc12 428840389 MKGGLRKHNQUKCH-UHFFFAOYSA-N 256.374 3.803 30 20 CHED N#Cc1ccc(NCCCOC(F)F)c(C(F)(F)F)c1 193615364 QCKIYUPUKUKCAX-UHFFFAOYSA-N 294.223 3.618 30 20 CHED N#C[C@H](C(=O)c1ccc2c3c(cccc13)CC2)c1ccccn1 41482593 NOFTWUQLEPLMLT-KRWDZBQOSA-N 298.345 3.823 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)c1C 191394703 KOWZDPANHPZPTG-LJQANCHMSA-N 293.414 3.851 30 20 CHED C=C[C@@H](CC(=O)Nc1cnn(CC(C)C)c1)c1ccccc1 136505702 XFBFWNCXDHYUJI-HNNXBMFYSA-N 297.402 3.838 30 20 CHED C=CCC1(C(=O)N2CCCc3ccc(F)cc32)CCC1 191873375 DNKVAROSJXEILG-UHFFFAOYSA-N 273.351 3.851 30 20 CHED C=CCC[C@@H](N[C@H](C)c1ccnn1C)c1ccccc1 193034368 OZMJLRXJZIVAHZ-GDBMZVCRSA-N 269.392 3.778 30 20 CHED CC(C)(C#N)CCCOc1cc([N+](=O)[O-])ccc1Cl 87609060 ONUXSOKRMHHXBO-UHFFFAOYSA-N 282.727 3.957 30 20 CHED C=C(Cl)CSc1nnc(C)n1C1CCCCC1 41294618 YETQIVOQIMTTJO-UHFFFAOYSA-N 271.817 3.936 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](C)c2ccc(F)cc2)n1 513188561 PVGOEZNKRHCQOH-GFCCVEGCSA-N 283.350 3.925 30 20 CHED CCCc1[nH]ccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425107257 JDBHPWFDYAKCCJ-CYBMUJFWSA-N 295.386 3.672 30 20 CHED C[C@@]1(/N=C(/O)c2ccc(F)c(C#N)c2)CC=CCC1 331359534 WPRAVEKFDKBFLP-OAHLLOKOSA-N 258.296 3.501 30 20 CHED CCc1nc(/C(O)=N/[C@H](C)c2cc(C)oc2C)co1 330832986 KKZWVNZMKJINBP-SECBINFHSA-N 262.309 3.513 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC(C2CC2)C2CC2)n1 613410581 OTLBJKAJLJTHSL-UHFFFAOYSA-N 269.392 3.851 30 20 CHED CSCc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)cc1 339967218 VRFMJKOKIXNTQA-INIZCTEOSA-N 290.432 3.608 30 20 CHED CCc1ccc2occ(C(=O)N(C)C3(C#N)CCC3)c2c1 335748709 CMTBHQUTSHASCB-UHFFFAOYSA-N 282.343 3.513 30 20 CHED C[C@H](c1ccc(F)cc1F)N1CCC(CC#N)CC1 336592660 VYGXODCIHAFSGC-LLVKDONJSA-N 264.319 3.651 30 20 CHED C=C[C@@H]1OCC[C@H]1CNCc1cccc2c(OC)cccc12 424170139 JJXIVNWCQXPOHJ-YJBOKZPZSA-N 297.398 3.529 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccn(-c2ccccc2)n1 90988596 BIWJAHABQMAZSC-BQYQJAHWSA-N 278.311 3.670 30 20 CHED C[C@H](c1ccccc1Br)N1CCC(C#N)CC1 141931590 ZRKUUMIVDGDTEC-LLVKDONJSA-N 293.208 3.746 30 20 CHED CCN(Cc1c[nH]c2ccccc12)[C@H]1CC[C@H](C#N)C1 339113676 IIAOFOMTMFKAMR-ZFWWWQNUSA-N 267.376 3.682 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(N(C)C)cc1 149176891 RTGHYGDHFILWNO-RAXLEYEMSA-N 281.355 3.657 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)C[C@@H]1C 335237273 DWEGKZBJSYCRCX-LBPRGKRZSA-N 271.364 3.519 30 20 CHED Cc1cccc(N(C)C(=O)c2ccc(CC#N)cc2)c1C 336352939 JVFQMUROZQCGJQ-UHFFFAOYSA-N 278.355 3.646 30 20 CHED C[C@H]1CCN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC12CCC2 335946971 CJYNTXWPZOURML-XJKSGUPXSA-N 297.402 3.647 30 20 CHED CC(C)(CNC(=O)c1ccc(C#N)s1)C1CCCC1 510129711 HSYWOBVQCRDBEE-UHFFFAOYSA-N 276.405 3.566 30 20 CHED CC(C)(CCC#N)CNc1nccc(C(C)(C)C)n1 338726399 NUAHKQGYFVDOOH-UHFFFAOYSA-N 260.385 3.516 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc2[nH]ccc12 179783667 UWDDSWGBGFFZPM-GFCCVEGCSA-N 256.349 3.643 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2c[nH]c3ccccc23)c1 97292598 DONNOJYQQAEQEM-CMDGGOBGSA-N 272.307 3.936 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)s1 330961377 PBAPMMVGSMFZQG-QMMMGPOBSA-N 270.785 3.519 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CCC(C)(C)CC1 435731542 KTZIMIXSKCWDQA-DZGCQCFKSA-N 251.414 3.526 30 20 CHED N#CCC1CCN(C(=O)Cc2cccc3ccccc23)CC1 334271867 VYRISBDJUCOXNS-UHFFFAOYSA-N 292.382 3.535 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)c2cccc(Cl)c2)CC1 525137954 AZSHSQNPBSIVCI-LBPRGKRZSA-N 277.795 3.868 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Cc2ccncc2)cc1 349970745 XZDVMHOSRFJKOF-UHFFFAOYSA-N 293.370 3.551 30 20 CHED CC1(C)CC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 348275104 MGRVBASCEGXWRP-HZPDHXFCSA-N 254.377 3.714 30 20 CHED CCc1oc2ccccc2c1CN(C)c1ccnc(C#N)c1 341452478 INMOPPCDZORARK-UHFFFAOYSA-N 291.354 3.898 30 20 CHED N#Cc1cc(NCCc2csc3ccccc23)ccn1 341722607 OVDTZFSSUGIULC-UHFFFAOYSA-N 279.368 3.823 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@@H](C)c2cccs2)no1 346600902 DYEOAUMYHDKWAU-GVXVVHGQSA-N 290.388 3.732 30 20 CHED C[C@H]1C[C@@H](C)CN(CCCN[C@H](C)c2ccc(C#N)cc2)C1 245959231 XVBFKCLNBGNMQZ-IXDOHACOSA-N 299.462 3.577 30 20 CHED CC(C)(C)[C@@H](COc1ccccc1F)NCCCC#N 343590858 MYWPGGYCXGPBAY-OAHLLOKOSA-N 278.371 3.513 30 20 CHED CCC[C@H](C#N)NC(=O)CSc1ccc2ccccc2c1 522236698 KQBBHORNWCTJOD-OAHLLOKOSA-N 298.411 3.740 30 20 CHED C=CCC[C@@H](NCc1ccc(C)cc1OC)C1CC1 438989753 VIWISWZYNZZRBZ-MRXNPFEDSA-N 259.393 3.838 30 20 CHED Cc1ccc(C#N)c(Oc2ccc(NC(=O)C(C)C)cc2)n1 342516720 WNARQZFMSYLDGO-UHFFFAOYSA-N 295.342 3.649 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](C[C@H]2CCOC2)c2ccccc2)C1 248866060 QCIFFVAGJZSAMZ-FPAYPSAMSA-N 298.430 3.826 30 20 CHED N#Cc1ccc(CNc2cccc(F)c2)c(OC(F)F)c1 439557798 OYFPQTVINNVMDA-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SC[C@@H](C)C(F)(F)F 439028430 QMXHQRKRULTVHD-GHMZBOCLSA-N 295.370 3.507 30 20 CHED C[C@H](c1cccc(Br)c1)N(C)CC(C)(C)C#N 433315618 YMELMGOYLXRJCV-LLVKDONJSA-N 295.224 3.992 30 20 CHED CC(C)N(CCCNc1nccc(C#N)c1Cl)C(C)C 342791595 RTNMLPNOEIHCEY-UHFFFAOYSA-N 294.830 3.527 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C(C)C)c(O)cc1C 436834725 ABVOLHWCUDLYKH-UHFFFAOYSA-N 275.392 3.862 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1ncnc2sccc12 604020443 OYXVHKZKNXXABG-GFCCVEGCSA-N 297.408 3.918 30 20 CHED O=C1/C(=C/c2ccc(O)cc2)COc2ccc(Cl)cc21 255181298 IXQOMDXWZVUZFS-YRNVUSSQSA-N 286.714 3.704 30 20 CHED C[C@H](N(C)C(=O)c1cc2ccccc2n1CC#N)C(C)(C)C 609162212 GLNZFAYVSBCZTB-ZDUSSCGKSA-N 297.402 3.671 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2cnc[nH]2)cc1 527485913 WYTIXBCGYITYCU-INIZCTEOSA-N 269.348 3.618 30 20 CHED CC(C)(C#N)CCSCc1noc(C(C)(C)C)n1 341890156 PQIYCDULPIYLRD-UHFFFAOYSA-N 267.398 3.540 30 20 CHED Fc1ccc(CON=Cc2ccccc2F)cc1F 255778406 TVMUGVXKAGAZFJ-UHFFFAOYSA-N 265.234 3.655 30 20 CHED C=CCCCCCSc1n[nH]c(C(C)(C)C)n1 447302578 FMNNIFLUKIVTPM-UHFFFAOYSA-N 253.415 3.941 30 20 CHED Oc1ccccc1/C=N\Cc1cccc2cccnc12 254966453 CAAFHSOJRWLHID-WQRHYEAKSA-N 262.312 3.560 30 20 CHED O=C(/C=C\c1cncs1)c1c[nH]c2ccccc12 254991757 CRZSZQITEXWRIA-WAYWQWQTSA-N 254.314 3.521 30 20 CHED Cc1ccc(C[C@H](C)N[C@H]2CC[C@@H](C#N)C2)c(C)c1 442774578 ZPVJKDXRXMGDHS-UXLLHSPISA-N 256.393 3.516 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2cncc(F)c2)c1 254927638 WLFOAXJKHRWRJJ-ARJAWSKDSA-N 255.292 3.734 30 20 CHED N#C[C@H]1CC[C@H](n2cc(-c3cccc4c3CCCC4)nn2)C1 600812796 GBMOWBLXVRSNDR-ZFWWWQNUSA-N 292.386 3.689 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccnc1C)CC2 255079589 JUBDKABELRVXOH-LFIBNONCSA-N 263.340 3.911 30 20 CHED C=CC[C@H]1N(Cc2ccc3c(c2)nnn3C)CCCC1(C)C 444772839 BMLBBTIUQDOMMG-QGZVFWFLSA-N 298.434 3.535 30 20 CHED C=CCC1(C(=O)Nc2nnc(CC)s2)CCCCC1 448763905 ZWNMOMWFABSSDB-UHFFFAOYSA-N 279.409 3.566 30 20 CHED C=CCCC1(C(=O)NCc2ccc(SC)cc2)CC1 355043391 UUPNKKSZEMGJQQ-UHFFFAOYSA-N 275.417 3.771 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)C1 531808197 TUNDOADJZBBGMV-XAUUPUKJSA-N 298.430 3.799 30 20 CHED C=CCSCCNC(=O)CCc1ccc(C)c(Cl)c1 604486699 BXBLNFZHUBRSJK-UHFFFAOYSA-N 297.851 3.616 30 20 CHED C=CCc1cc(CN2CCC[C@@H]2CC)cc(OC)c1O 352647652 ZPKKHINVZSDDMF-HNNXBMFYSA-N 275.392 3.504 30 20 CHED C=CCSc1ccccc1C(=O)NCc1cc(C)ccn1 357421854 FQZLJJDIERNOMO-UHFFFAOYSA-N 298.411 3.598 30 20 CHED C=CCN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 353154282 MCTMERQWNQXDQS-LBPRGKRZSA-N 254.255 3.547 30 20 CHED CCOc1ccc(F)c(NCc2ccccc2C#N)c1F 534686952 MFCHBHCGCDPEGV-UHFFFAOYSA-N 288.297 3.847 30 20 CHED COCC[C@H](C)Nc1ccccc1SC[C@H](C)C#N 267927413 MPLZREHMSUZLQV-OLZOCXBDSA-N 278.421 3.775 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1c(C)cccc1C 539650304 MJMSVAMJVAPESG-OAHLLOKOSA-N 259.393 3.707 30 20 CHED C=CCN(CCC#N)Cc1ccc(C2CCC2)cc1 353584813 LMFMRWXDPWUJQL-UHFFFAOYSA-N 254.377 3.856 30 20 CHED Cc1ccc(NCc2cn3ccccc3c2C#N)cc1F 446634154 KJSDBJYQICTLBM-UHFFFAOYSA-N 279.318 3.871 30 20 CHED COc1cc([C@H](C)NCCCCC#N)ccc1SC 268913268 OPRLVQCSFYVBMA-LBPRGKRZSA-N 278.421 3.762 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)C(C)(C)C 265237555 IQOFYGDICBZARH-CQSZACIVSA-N 284.403 3.755 30 20 CHED COCCCC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 442868008 BIGWSTHQLDMBCL-SZMVWBNQSA-N 286.419 3.826 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H]1CCOC2(CCC2)C1 449475115 FATIKVBQCRSQIV-ZNMIVQPWSA-N 251.414 3.526 30 20 CHED CCC(C)(C)N(C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 619591608 RXBWQWFMFQNBRI-UHFFFAOYSA-N 299.418 3.763 30 20 CHED CC(=O)Nc1cc(NCc2ccc(C#N)c(C)c2)ccc1F 443990696 ORCGGGQMACZZSG-UHFFFAOYSA-N 297.333 3.576 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2cccnc2C#N)C1 357536250 UIGLNUPPDDIXLL-GJZGRUSLSA-N 277.371 3.644 30 20 CHED CC[C@@H](C)CN(CC)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618849819 SCVXITCGGUZLNI-CXAGYDPISA-N 299.418 3.623 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(CC#N)cc1 612121887 SIZNLUJEEXXCQR-DOMZBBRYSA-N 296.336 3.915 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc(F)c1 618630620 IZLZCLYXCHYZKR-MRXNPFEDSA-N 295.317 3.506 30 20 CHED C=Cc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618890793 LYNZUGCSKFEIMG-SFHVURJKSA-N 288.350 3.619 30 20 CHED N#Cc1cccc(OCCCN2C3CCCC2CCC3)c1 610786464 RCZKFXPEYKEVGI-UHFFFAOYSA-N 284.403 3.734 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(-c2nccs2)cc1 184995739 OQZZNYVFTXKNQI-UHFFFAOYSA-N 284.384 3.798 30 20 CHED CC(C)[C@H](C)N(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 459943027 DXVXEURMZVXYSV-AWEZNQCLSA-N 286.419 3.630 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@H]2CCC[C@@H]2C1 362820362 MXCAZBQCZDZWRO-ZIAGYGMSSA-N 287.428 3.837 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CCO[C@H](CCC)C2)CCCC1 456488467 QVYCITHJIZJFJE-HZPDHXFCSA-N 293.451 3.834 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2cccnc2s1 450423379 IONATHZBBOASKM-LLVKDONJSA-N 274.389 3.771 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](C)[C@H](C)COC)c1ccccc1 360373234 DGLIRPYKBAJXHS-VYDXJSESSA-N 289.419 3.729 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N(C)CC(C)(C)C#N 458263085 ZMBWJSADSFNASM-GJZGRUSLSA-N 293.455 3.782 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 455311906 ONVWJFXYRVUOMF-HOCLYGCPSA-N 272.392 3.540 30 20 CHED CC(C)(CC#N)CNCc1c(F)cccc1Br 459684217 BTPVLRHMLVTMRF-UHFFFAOYSA-N 299.187 3.618 30 20 CHED Cc1nc(C(C)C)oc1CN(C#N)c1ccc(F)c(C#N)c1 450863789 UFNMLHIVVIJRRC-UHFFFAOYSA-N 298.321 3.605 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccncc2)CCCC1(C)C 277898237 NXZYPKMKOUPOQY-AWEZNQCLSA-N 273.380 3.680 30 20 CHED C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(C#N)c(F)c1 453392025 UCVYXGGDXBDUKE-XIKOKIGWSA-N 280.346 3.720 30 20 CHED CC(C)CCN[C@H]1CCCCc2cc(C#N)ccc21 360823043 UFSXWYSKCVSTRU-KRWDZBQOSA-N 256.393 3.961 30 20 CHED C=CCN(C)c1nnc(-c2cccc3ccccc23)n1CC 549066922 GQCQBUBNSCYZAB-UHFFFAOYSA-N 292.386 3.740 30 20 CHED C=CCC1(C(=O)N2CCC(C)(COC)CC2)CCCCC1 450387027 FLZPZJDADVYZAH-UHFFFAOYSA-N 293.451 3.788 30 20 CHED CC(C)CCOc1cccc(-c2ccc(C#CCO)nc2)c1 623167826 BVHNADBFMPEFFN-UHFFFAOYSA-N 295.382 3.517 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452679369 JXTDOZBMFABRCH-UHFFFAOYSA-N 299.374 3.614 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)NCC(C)(C)CC#N 457994859 PAGZFUQPIKKWGO-CQSZACIVSA-N 272.392 3.545 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)NC1CCC(C)(c2ccccc2)CC1 450155446 HQQPDODHDKJBFH-MTYUVTTFSA-N 296.414 3.553 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 362597983 BDBGUAGMZNCLLJ-VHSXEESVSA-N 269.797 3.511 30 20 CHED C=CCC[C@H](N=c1[nH]nc(C(C)C)o1)c1ccccc1 450396759 XFMQNAFDDSDELC-AWEZNQCLSA-N 271.364 3.734 30 20 CHED CCCCCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 367318872 KBXSAOKSZFPAPS-UHFFFAOYSA-N 297.402 3.547 30 20 CHED CN(CCC(C)(C)C#N)C(C)(C)CN1CCCCCC1 548634510 ZTCZJQQAZRPULU-UHFFFAOYSA-N 279.472 3.513 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H](C)c1ccco1 626391786 LGUNGHMVRUOYGG-CQSZACIVSA-N 287.359 3.624 30 20 CHED C=CCC1(CNC(=O)Cc2ccc(Cl)cn2)CCCC1 456513634 VZZLLSZSALYJTI-UHFFFAOYSA-N 292.810 3.530 30 20 CHED C=CCC[C@@H](NCCCCn1ccnc1C)c1ccco1 276423671 HPXPDEIJSSMSJO-MRXNPFEDSA-N 287.407 3.862 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnc(C(F)(F)F)cc1C 464664471 DAJSRZVTGXUCEI-CYBMUJFWSA-N 286.297 3.950 30 20 CHED CC(C)CN(C(=O)[C@@H](C)c1cccc(C#N)c1)C(C)C 463349832 SGGXQXQYFVPUGG-AWEZNQCLSA-N 272.392 3.555 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](C)Oc1cccc(Cl)c1 468016891 KNKAIMVTAWGYHZ-BLLLJJGKSA-N 295.810 3.826 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1Cl 464758271 YCRLXDWKWCOCKO-BXUZGUMPSA-N 278.783 3.761 30 20 CHED CC(C)Cn1ncc(N[C@@H]2CC[C@H](C#N)C2)c1C1CC1 554117230 DOQBHWCMYWOBBR-GXTWGEPZSA-N 272.396 3.521 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2C[C@H](c3cccc(F)c3)C2)C1 280534102 ACMUVWIUIWWQSH-QIJZBDPFSA-N 272.367 3.744 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@H]1c1cccnc1 370088805 HRUXTODIQQWLRP-HNNXBMFYSA-N 283.762 3.948 30 20 CHED CC#CCCCC(=O)N(CCc1ccccc1)CC(C)C 464573572 YOQKHILWDUFDQL-UHFFFAOYSA-N 285.431 3.907 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccccc2Cl)no1 285596244 UDPAOBVGZPASNS-ZDUSSCGKSA-N 261.712 3.581 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC[C@@H]2CCCF)c1 282849392 XBQXIQSAZVMJQE-HZPDHXFCSA-N 260.356 3.566 30 20 CHED CC[C@H](CC(C)C)C(=O)N(CC#N)c1ccccc1 460051248 BRTUTIXTGOXWCK-CQSZACIVSA-N 258.365 3.615 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc3nc(C4CC4)oc3c2)C1 559784285 ZTKICJFRURZQTJ-CMPLNLGQSA-N 267.332 3.809 30 20 CHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 282352812 PKQMAUXZQOSQBI-GYSYKLTISA-N 293.208 3.792 30 20 CHED CSc1ccccc1[C@@H](C)N[C@H]1CC[C@H](C#N)C1 282664875 ITKNOARTNQZQOF-AGIUHOORSA-N 260.406 3.751 30 20 CHED CC(C)(C#N)c1ccc(-c2nc(-c3ccco3)no2)cc1 556315780 WOACRAKWQBIUPS-UHFFFAOYSA-N 279.299 3.798 30 20 CHED C[C@H](NCC(C)(F)F)c1ccc(C#N)cc1Cl 559886907 SZUUKDQLCAZTOE-QMMMGPOBSA-N 258.699 3.517 30 20 CHED C=CCC[C@@H](NCc1cc(COC)on1)c1ccccc1 297700474 QLLGWCMKMVRPAJ-QGZVFWFLSA-N 286.375 3.618 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2C(F)F)c(C)c1 291292333 BOESMNQSTMZJSG-FNORWQNLSA-N 290.313 3.871 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 294460005 SAWLFYXQGDRTTL-DLBZAZTESA-N 284.403 3.733 30 20 CHED C#Cc1ccc(CN[C@](C)(CC)c2nccs2)cc1 290306115 IJJBPNORDIORBB-MRXNPFEDSA-N 270.401 3.539 30 20 CHED C[C@@H]1CCN(CC#Cc2ccc(F)cc2)CC12CCC2 552437516 HXYRZJRFUBKKGD-OAHLLOKOSA-N 271.379 3.689 30 20 CHED C=CCCCCCCCCNc1ccc2nnc(C)n2n1 808089134 JUTSEVFDJIRUJI-UHFFFAOYSA-N 287.411 3.761 30 20 CHED C=CCCCCNC(=O)[C@H](CC)OC1CCCCC1 471716848 XSUFZQSDRDZLLO-HNNXBMFYSA-N 267.413 3.587 30 20 CHED CCCC[C@@H](C)C(=O)O[C@H](C#N)C1CCCCC1 800274288 PYYWEAQJLZMLDN-TZMCWYRMSA-N 251.370 3.828 30 20 CHED C[C@H]1/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 809155920 HXXOMHSYVOGPSC-FFCYNSPCSA-N 279.295 3.978 30 20 CHED C=CCCC1(C(=O)NCCOc2cc(C)cc(C)c2)CC1 475111010 PAFUJRTXULFWCF-UHFFFAOYSA-N 287.403 3.545 30 20 CHED C=C(C)COC(=O)c1ccc(OC)c2ccccc12 804339410 FNBOXOVLXVGHNA-UHFFFAOYSA-N 256.301 3.581 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(CCSC)cc1 806253284 QJEZPGYSIZNINJ-CQSZACIVSA-N 290.432 3.516 30 20 CHED C=C(C)COCCN[C@@H](CC)c1cccc(Cl)c1O 806146457 AWBFNSJBYNYRCC-AWEZNQCLSA-N 283.799 3.679 30 20 CHED C=CCC(C)(C)C(=O)N1CCCO[C@H](c2ccccc2)C1 644794718 LSYMCZYNHFRKRJ-INIZCTEOSA-N 287.403 3.579 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2ccc(Cl)cc2n1 800125272 HYIKTCDLIBWTKP-UHFFFAOYSA-N 286.762 3.876 30 20 CHED COc1ccc([C@H](Nc2cc(C#N)ccn2)C(C)C)cc1 298155924 LGJWTYKDVROZQK-QGZVFWFLSA-N 281.359 3.771 30 20 CHED O=C(O)c1cccc(NN=C2CCC[C@@H]2CCCF)c1 800803592 IZZFDRYEADPURD-LLVKDONJSA-N 278.327 3.703 30 20 CHED C=CCN(CCc1ccccc1)[C@@H](C)c1nnc(C)s1 298148928 OVHRDLXKMMLCRO-ZDUSSCGKSA-N 287.432 3.638 30 20 CHED CC1(C#N)CN(Cc2ccc(-c3ccccc3C#N)cc2)C1 568168733 QABSQMUHVSGXHM-UHFFFAOYSA-N 287.366 3.571 30 20 CHED C=CCOCCCN1C[C@@H](c2ccccc2C)C[C@@H]1C 470771785 HFUMFVDZGLRHAL-IRXDYDNUSA-N 273.420 3.766 30 20 CHED C#C[C@@H](NC1CC(c2cc(F)cc(F)c2)C1)C(C)(C)C 809783242 WFMPDTJPSFJVJJ-VDSRIPIWSA-N 277.358 3.848 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2cccc(C#N)c2[N+](=O)[O-])o1 560193610 VYFQNTXLENDTID-GWCFXTLKSA-N 297.314 3.795 30 20 CHED N#CCCN(C(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1ccc(F)cc1 562515931 BJLQSOFRZNKNMI-XEZPLFJOSA-N 286.350 3.509 30 20 CHED C#CCCCCC(=O)N1C[C@@H]2CCCCN2c2ccccc21 294110551 JSPJRBALCWZZMY-INIZCTEOSA-N 296.414 3.586 30 20 CHED Cc1nc(N2CC[C@H](C)[C@H]3CCCC[C@H]32)ccc1C#N 567167608 RRSZXYWECUHQIK-APHBMKBZSA-N 269.392 3.667 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)Cc1ccc(C#N)cn1 568526926 MVKATZHGNNAZRN-LJQANCHMSA-N 293.414 3.715 30 20 CHED C[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)CC12CCCCC2 563498366 SVAPAUPAVOWYQH-OAGGEKHMSA-N 260.425 3.971 30 20 CHED C#C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1ccccc1)C(C)(C)C 808316087 PNPUYAKWVJKGOJ-JKSUJKDBSA-N 298.430 3.827 30 20 CHED C=CCCCCNC(=O)C1(c2ccccc2C)CCC1 472238457 JFOVLZGTCUJVBM-UHFFFAOYSA-N 271.404 3.889 30 20 CHED C[C@@H](C#N)OCCSCCCc1ccc(Cl)cc1 802752540 RFJOYKLULQTUMA-LBPRGKRZSA-N 283.824 3.934 30 20 CHED N#Cc1ccc(CNc2ccc(OC(F)F)cc2F)s1 800896965 BQJZMXCZKYPBAH-UHFFFAOYSA-N 298.289 3.972 30 20 CHED C#Cc1ccc(CNc2ccc(-c3ncco3)cc2)cc1 809601018 RIIKOMITURWAMZ-UHFFFAOYSA-N 274.323 3.935 30 20 CHED N#C[C@H](Nc1cccc2c1CCO2)C1CCCCC1 479830873 QDSKMLFHLSDPIG-HNNXBMFYSA-N 256.349 3.506 30 20 CHED C=CCC(C)(C)CNC(=O)c1ncoc1-c1ccccc1 647121203 NQLDBHNQAHSYRZ-UHFFFAOYSA-N 284.359 3.674 30 20 CHED C#Cc1ccccc1C(C)=NNc1nccnc1C1CCC1 807991201 JJQRPUSXSHIUKO-UHFFFAOYSA-N 290.370 3.562 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc2ccncc12 648346240 LCEDGMGCMLQVCE-CYBMUJFWSA-N 268.360 3.709 30 20 CHED C[C@H](C=NNc1oc(C(C)(C)C)nc1C#N)C(C)(C)C 800811483 WKVPDSACWWRIMP-SNVBAGLBSA-N 276.384 3.924 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2ccccc21 488840299 OITDECIILTUFGG-DOTOQJQBSA-N 269.388 3.674 30 20 CHED C=CCCCCCCCNC(=O)[C@H](C)C(F)(F)F 811590742 HZAXPRJALNPLDP-NSHDSACASA-N 265.319 3.828 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1O 811699363 SGYBACGEJSXFQF-ZZXKWVIFSA-N 290.265 3.575 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(C(C)(C)C)c1O 816183034 ZAYAZPJDYLACRA-UHFFFAOYSA-N 283.318 3.840 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC[C@H]1[C@@H](C)CC 815663128 ODHXCSFZMKZFFL-RYUDHWBXSA-N 259.340 3.625 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N(CCC#N)C(C)C 564850796 ADAHSFCMFBFSDU-MRXNPFEDSA-N 286.419 3.714 30 20 CHED CC(=NOCCOC(C)C)c1cc2c(s1)CCCC2 812239065 MAPZHEISSUIQMB-UHFFFAOYSA-N 281.421 3.793 30 20 CHED Cc1ccc(NN=Cc2cc(O)cc(C(F)(F)F)c2)nc1 811641266 USKBVAARBANUCS-UHFFFAOYSA-N 295.264 3.560 30 20 CHED N#C[C@@H](C(=O)[C@H]1CC2CCC1CC2)c1nc2ccccc2[nH]1 815897761 GQKIZBOIIBZQGT-HOAMVYINSA-N 293.370 3.565 30 20 CHED COc1ccc([C@@H](C)C(C)=NN[C@@H](C)c2ccncc2)cc1 819815506 ACWRIPSRGUNMIZ-ZFWWWQNUSA-N 297.402 3.920 30 20 CHED c1ccc2ncc(CNN=C3CCCc4occc43)cc2c1 814876720 IICGCHOAPJWTSH-UHFFFAOYSA-N 291.354 3.658 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1ccc(C)cc1 815988603 PWOGPCHGPGWYET-NSHDSACASA-N 254.276 3.811 30 20 CHED Clc1ccnc(NN=C2CCCc3sccc32)c1 814897607 AJEISTZWUMKJJK-UHFFFAOYSA-N 277.780 3.949 30 20 CHED CC[C@H]1CCc2ccccc2N1CCCSCC#N 482987501 DYKFAAXECWBIMQ-HNNXBMFYSA-N 274.433 3.865 30 20 CHED CC1=C(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)CCC1 813212696 FKKSJZIGNDVQRZ-GFCCVEGCSA-N 294.276 3.777 30 20 CHED CC1(C)OCCC1=NNc1ccccc1C(F)(F)F 814688577 DDYZHVVFQJEHFO-UHFFFAOYSA-N 272.270 3.672 30 20 CHED C=C(C)[C@@H](N[C@@H]1CCCOCC1)c1ccc(F)c(F)c1 480692319 ABJLRSDOHJFYAE-CZUORRHYSA-N 281.346 3.741 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccccc1C#N 814901374 KYDVGWRNOWHPMF-UHFFFAOYSA-N 294.745 3.919 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc2c(c1)CCCC2=O 816069404 JCYSDNDCBOALRI-UHFFFAOYSA-N 299.370 3.692 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1ccc(C#N)s1)C1CC1 487642122 ZCMZIJQLXFCSEU-MRXNPFEDSA-N 296.395 3.809 30 20 CHED C=C[C@@H](CC(=O)N1CCCC[C@@H]1C=C)c1ccccc1 488823419 YGYAKCCIALJFSN-RDJZCZTQSA-N 269.388 3.913 30 20 CHED C=CCCOC(=O)/C=C/c1ccccc1O[C@@H](C)CC 729888699 DYTTUAAPZUELDL-GETOMWPZSA-N 274.360 3.996 30 20 CHED CCCN(CC1CCCCC1)C(=O)CC(C)(C)C#N 487546241 VVMKXURAXAIDKE-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@H](C)c2ccccc2)cc1 728713185 STXNUPBHGRJXLZ-HOTGVXAUSA-N 294.398 3.871 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccccc1 725405512 FLNHYHVPDWOJID-UHFFFAOYSA-N 279.265 3.937 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@H](OCC)C12CCCCC2 574776390 VFMDVZFNGYORAW-GJZGRUSLSA-N 293.451 3.833 30 20 CHED C=CCCCCN[C@@H](C)c1nc(Cc2ccccc2)no1 578572172 WSVHSLYDSGJPKA-AWEZNQCLSA-N 285.391 3.667 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(CC#N)cc2)n1 574209932 BJZSBINPVMOWGR-UHFFFAOYSA-N 267.332 3.656 30 20 CHED C#Cc1ccc(C(=O)OCc2ccc(CC(C)C)cc2)nc1 729006283 BKPLTQCBOYZMMR-UHFFFAOYSA-N 293.366 3.618 30 20 CHED CC(=O)c1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 665563906 CPDXJHJVAXEEKV-UHFFFAOYSA-N 284.359 3.692 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCCO[C@@H](C)C1 727601836 YYNZDJDFHUAZGY-HOTGVXAUSA-N 298.471 3.803 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(Cl)cncc1Cl 497944989 SAPMGTLSWBRAGH-SECBINFHSA-N 287.190 3.863 30 20 CHED C=CCCNC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 665945013 AKLCHTAZFJLGJH-CQSZACIVSA-N 276.380 3.791 30 20 CHED C=CCn1c(SCc2ccsc2)nnc1C1CC1 584793974 XXEKRRGAEJMCBT-UHFFFAOYSA-N 277.418 3.695 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc3c(c1)OCCO3)C2=O 729148889 BPCSWUNGHSBRQU-ZROIWOOFSA-N 292.334 3.589 30 20 CHED CCc1cccc2c1OC/C(=C\c1cncn1C(C)C)C2=O 901507503 WGIHNRFICJPYGZ-RIYZIHGNSA-N 296.370 3.685 30 20 CHED C=CCC1(NCc2nc(Cc3ccccc3)no2)CCCC1 661849367 TWNDREOJLAKYMZ-UHFFFAOYSA-N 297.402 3.639 30 20 CHED C=CCCC[C@H](NCc1cccc(CCC)c1)C(=O)O 900068635 MIZXSIGXMDEBLU-INIZCTEOSA-N 275.392 3.538 30 20 CHED C#Cc1ccc(CNc2ccc(NC(=O)OC)c(F)c2)cc1 496958688 DITAVLRAPDZQLN-UHFFFAOYSA-N 298.317 3.597 30 20 CHED CCC(CC)NN=Cc1ccccc1OCc1ccncc1 734365215 UOLCXAGSUVWXJB-UHFFFAOYSA-N 297.402 3.773 30 20 CHED C=CCOc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1OC 668299787 SQAWGENDWVYQJJ-HOTGVXAUSA-N 287.403 3.634 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cnn(C)c2C)c(C)c1 588397251 JXQBJPSQCKWTDA-SREVYHEPSA-N 268.360 3.550 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N=c1ccc(C#N)c[nH]1 499554498 DJXPPTYZTHYJFR-MRXNPFEDSA-N 299.418 3.700 30 20 CHED Cc1cc(NC(=O)c2ccc(C(C)(C)C)s2)ncc1C#N 582675041 VBSVONLGYWZNRY-UHFFFAOYSA-N 299.399 3.873 30 20 CHED COc1ccsc1C(=O)/C=C\c1cc(F)c(O)c(F)c1 588488983 CEIJNRSZRBUAPJ-IHWYPQMZSA-N 296.294 3.637 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2c(C)cc(C)nc2C)C1 667118938 CHQCCPWTQZAIKD-OAHLLOKOSA-N 287.407 3.827 30 20 CHED O=C1/C(=C/c2cnc(C3CCC3)s2)Cc2cccc(O)c21 834444925 XQUGYOLCCPEKKA-XYOKQWHBSA-N 297.379 3.939 30 20 CHED C=CCCC[C@H](NC[C@@H]1CCCC(C)(C)C1)C(=O)O 900068267 DBRPFUZRSYBIPG-KGLIPLIRSA-N 267.413 3.602 30 20 CHED C=CCOc1ccc(Cc2nc(-c3cccs3)no2)cc1 904279632 UFKFMYOUOMCUJM-UHFFFAOYSA-N 298.367 3.954 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(Cl)c1 839060843 YXYKDXVVANZWOI-VXGBXAGGSA-N 277.751 3.888 30 20 CHED C=CCOc1ccccc1CNC(=S)Nc1ccccc1 731946164 PPGPUUUYRIZTRX-UHFFFAOYSA-N 298.411 3.738 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1csc(C)c1 834654767 RJXTWXYGZAMRBP-CQSZACIVSA-N 285.412 3.919 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)c1ccnc(C#N)c1 586964572 KNVDUFFIJIRLRK-UHFFFAOYSA-N 292.169 3.896 30 20 CHED Cc1cccc(C=NNc2ccc(Br)nc2)c1 732712821 IOVAJZJNOJIULF-UHFFFAOYSA-N 290.164 3.599 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C(=O)O)cc2)ccc1F 832880416 DLXMNBYNYIHCMH-YCRREMRBSA-N 284.286 3.728 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)OCc1cccc(C#N)c1 732852547 CPLKYHXSAKVAKZ-SFHVURJKSA-N 293.366 3.870 30 20 CHED C[C@@H]1CC=CC[C@@H]1COC(=O)[C@]1(C#N)CC12CCCC2 839210959 ATFSBLQQDITRPQ-CKEIUWERSA-N 273.376 3.606 30 20 CHED C=CC[C@H](C)NC(=S)Nc1cccc(Cl)c1 734986414 LQIMKUYCRXUJBD-VIFPVBQESA-N 254.786 3.591 30 20 CHED C=C1CCN(Cc2cc(=O)oc3cc(CC)ccc23)CC1 731032428 JUKSKWYRRKRLEW-UHFFFAOYSA-N 283.371 3.507 30 20 CHED CC(C)(C)Oc1cccc(/C=C\C(=O)c2ncco2)c1 901513718 BPPGQNXZNKPAEA-FPLPWBNLSA-N 271.316 3.748 30 20 CHED C=C(Cl)CNC(=O)C(C)(C)Cc1ccc(Cl)cc1 837427602 QBCSOAAOKZWGGL-UHFFFAOYSA-N 286.202 3.777 30 20 CHED C/C(=C\c1ccccc1OC(F)F)CNCC(C)(C)C#N 589511583 WGMQPDGYZPTIOF-XYOKQWHBSA-N 294.345 3.831 30 20 CHED CC[C@H](C)[C@@H](C=NNc1ccc(OC(F)F)cc1)OC 834952745 WXFKYDMOLPMPBE-GXFFZTMASA-N 286.322 3.747 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 839035521 YGUNWAFYCYLKLI-TUAOUCFPSA-N 276.298 3.700 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccc3cc[nH]c3c2)no1 904574561 JUCRYYGEFNYUPI-ZDUSSCGKSA-N 282.347 3.574 30 20 CHED CON=Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl 731150937 HEXURJBEKOFTQW-UHFFFAOYSA-N 291.782 3.939 30 20 CHED CC(C)C1=NNC(=Nc2cccc(Cl)c2)SC1 730815340 IDXQQWYGUHFPBW-UHFFFAOYSA-N 267.785 3.676 30 20 CHED C#CCC1(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CCCCC1 837899310 OFJINNGVNYDZNG-DOTOQJQBSA-N 299.389 3.772 30 20 CHED CC(=NNc1c(C)cccc1Cl)[C@H]1CCCO1 835011998 VJGBMQNBIZJAIZ-GFCCVEGCSA-N 252.745 3.615 30 20 CHED C#Cc1ccc(CNc2ccc(CN(C)C)c(C)c2)cc1 839188121 AHQVMZVTZIEPFR-UHFFFAOYSA-N 278.399 3.650 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)C#CC(C)(C)C)cc1 837328347 IFOIIXDTEOBWDL-INIZCTEOSA-N 269.388 3.708 30 20 CHED C#CCCCSCc1ccc2oc(C(=O)O)cc2c1 833362259 INAZLJVGBXMLHQ-UHFFFAOYSA-N 274.341 3.778 30 20 CHED N#CC1(CC(=O)NCc2ccc(Cl)s2)CCCCC1 596751812 CSJVFJZUWSZAMM-UHFFFAOYSA-N 296.823 3.882 30 20 CHED C=C[C@@H](OC(=O)c1cccc(C(F)(F)F)n1)C(C)(C)C 835391995 UBQIFQOZHCGVEA-LLVKDONJSA-N 287.281 3.858 30 20 CHED C=CC[C@H](C)NC(=O)Nc1csc(-c2ccccc2)n1 672828768 ZADLBFHKMHYLFL-NSHDSACASA-N 287.388 3.896 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCC[C@@H](CC)C2)c1 740768427 KVDAZTLDCSIWPA-ZBFHGGJFSA-N 286.444 3.923 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 590748955 RKWWZUKCJGNCAI-JLSDUUJJSA-N 296.414 3.878 30 20 CHED CCC#C[C@@H](C)Sc1nnc(Cc2cccc(F)c2)o1 677132732 PDAIITQUKQMYEH-LLVKDONJSA-N 290.363 3.694 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)cc1)C(C)C 916706088 DYSXGRDKYLIGJF-UHFFFAOYSA-N 252.745 3.768 30 20 CHED Cc1ccc2sc(SCCO[C@@H](C)C#N)nc2c1 919622011 MBPYVMOFTVQMGD-JTQLQIEISA-N 278.402 3.626 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@H](SCC)C1)C(C)C 748968130 MZPGLBXQLQACCP-KGLIPLIRSA-N 284.469 3.657 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccccc1OCCC(C)C 847207485 SNPJGMKXWXJSGQ-ZDUSSCGKSA-N 292.379 3.739 30 20 CHED C#CC[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1 844452231 VXMPEZSYUHUITC-DJIMGWMZSA-N 269.388 3.694 30 20 CHED CSc1cc(-c2ccc(N3CCCC3)nc2)ccc1C#N 596629980 XBBJURFMPLMYEK-UHFFFAOYSA-N 295.411 3.942 30 20 CHED COc1cccc(-c2cccc(C3(C#N)CCOCC3)c2)c1 592985600 OMZLVFNRNMDLMW-UHFFFAOYSA-N 293.366 3.934 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1CCc2ccccc2C1 845214792 XWJFBFURWYWHKX-INIZCTEOSA-N 285.387 3.665 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(Cl)o2)cc1 742862980 LROZWIADDGYSFL-UHFFFAOYSA-N 278.691 3.717 30 20 CHED C=C[C@H](C)ONC(=O)C(C)(C)c1ccc2ccccc2c1 846548640 UMMOADZTEAHKJN-ZDUSSCGKSA-N 283.371 3.740 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@H](C3CCC3)C2)c1 591346474 QZHRQIOBUHVFIL-HNNXBMFYSA-N 283.375 3.521 30 20 CHED CC(=NNc1ncnc2sc(C)c(C)c12)c1ccncc1 916309382 JBOUBFFBLWQCKT-UHFFFAOYSA-N 297.387 3.539 30 20 CHED CC(C)Oc1cc(F)ccc1NCC1(CC#N)CC1 594703756 WIQCEVLVZLKYOK-UHFFFAOYSA-N 262.328 3.719 30 20 CHED CCN(Cc1occc1C)c1snc(Cl)c1C#N 840379113 WWXLKORZBYJDSQ-UHFFFAOYSA-N 281.768 3.596 30 20 CHED CC(C)Sc1ccc(C(=O)N(C2CC2)[C@@H](C)C#N)cc1 598130504 CPMZGBDSGVIJQA-LBPRGKRZSA-N 288.416 3.704 30 20 CHED C[C@H](C#N)N(CCOc1cccc2ccccc12)C1CC1 595713264 GRNBCQBMPJWSEP-CQSZACIVSA-N 280.371 3.595 30 20 CHED CCOCCCON=Cc1ccc(C(C)(C)C)cc1 742349417 WQBQWAYGRWAHEH-UHFFFAOYSA-N 263.381 3.761 30 20 CHED C=CCOCCSCc1cc(Cl)ccc1OCC#N 842174088 AOMARDARAGWAIB-UHFFFAOYSA-N 297.807 3.678 30 20 CHED CC(C)(C#N)CCSCCc1ccc(C#N)cc1 596363581 JSPVPYFPROSGFX-UHFFFAOYSA-N 258.390 3.774 30 20 CHED Cc1ccsc1-c1cn(CC2(C#N)CCCCC2)nn1 594658147 MBDYVIBQQHBRRC-UHFFFAOYSA-N 286.404 3.789 30 20 CHED Oc1ccc(Br)cc1/C=N/Cc1ccsc1 915980572 USPWGQBVLWSAHN-VGOFMYFVSA-N 296.189 3.835 30 20 CHED Cc1ccc(C#N)nc1NC[C@H]1CCCO[C@H]1C(C)(C)C 596130120 MIMHEKPRSSFQOL-UKRRQHHQSA-N 287.407 3.515 30 20 CHED N#Cc1csc(/C=C/C(=O)c2ccc3c(c2)COC3)c1 748441277 WAMBXOXQNAJQAH-ONEGZZNKSA-N 281.336 3.546 30 20 CHED CCCN(CCC)c1ccc(NC(=O)CCCC#N)cc1 844892529 LGNDFGHTEANEKC-UHFFFAOYSA-N 287.407 3.945 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)c(C)c1 849243902 ZPEXHIUAJMPEMR-CMDGGOBGSA-N 280.371 3.810 30 20 CHED COc1ccc(C)cc1/C=C1\COc2c(C)cccc2C1=O 920066829 MCPZPFDEJXBGFG-XNTDXEJSSA-N 294.350 3.971 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H](C#N)C2)c2ccccc12 928216865 KSADNLQEPNHSOM-CQSZACIVSA-N 278.355 3.524 30 20 CHED C=C(Cl)CNC(=O)C(C)(C)Cc1cccc(Cl)c1 753619825 NANIXCBHDZZWIW-UHFFFAOYSA-N 286.202 3.777 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](CC)c1cccc(Cl)c1 753084518 PTYKCMVNPFMYPW-KBPBESRZSA-N 278.783 3.502 30 20 CHED C=CC[C@@H](NC(=O)C(C)=C1CCCC1)c1ccncc1 753618132 OWNNUTPWEMZKOU-MRXNPFEDSA-N 270.376 3.706 30 20 CHED C=C1CN(C(=O)Nc2c(CC)ccc(Cl)c2CC)C1 929255552 XDNJJNYHYFAEJB-UHFFFAOYSA-N 278.783 3.869 30 20 CHED Cc1ccsc1C=NNc1cncc(Br)c1 758122125 FDFFOXSMASKTJD-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CCCCCCCCCN(C)C(=O)[C@]1(C)CCOC1 754157967 BRHNWRCRICRYOP-MRXNPFEDSA-N 269.429 3.622 30 20 CHED C=CCC(C)(C)CNC(=O)CCC[C@@H](O)c1ccccc1 854646624 GUZOWWWPSNTZDH-MRXNPFEDSA-N 289.419 3.609 30 20 CHED CCCCCCCCCNC(=O)[C@@H]1CSCCS1 750991042 ZONHMDWDWJDZQF-ZDUSSCGKSA-N 289.510 3.702 30 20 CHED Brc1cncc(NN=C/C=C\c2ccco2)c1 758120993 XKSPXYJPWPVVNJ-YPYHXCMGSA-N 292.136 3.548 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNc2cccc(F)c2)o1 920385376 BLYBIWHVPWLKHJ-UHFFFAOYSA-N 284.294 3.563 30 20 CHED C#CC[C@@H](NCc1cc(COC)cs1)c1ccccc1 850227053 WRTFUWKOHWPFNV-QGZVFWFLSA-N 285.412 3.749 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(C2SCCS2)c1 757191666 BWGRVRFKSQHIFX-JTQLQIEISA-N 294.445 3.861 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cc(C#N)ccc1F 854941723 KGZZVOUWWGZEMZ-DZGCQCFKSA-N 288.366 3.642 30 20 CHED C#CCCCC(=O)NC1CCC(c2ccc(F)cc2)CC1 759093371 ZVRZTUUINIXCPA-UHFFFAOYSA-N 287.378 3.772 30 20 CHED C[C@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(F)c1 758695183 DEEDONGKJRVBDZ-LBPRGKRZSA-N 283.302 3.810 30 20 CHED CC(CC1CC1)=NNc1ncnc2sc(C)c(C)c12 756823248 IUXFALCPIXQRHS-UHFFFAOYSA-N 274.393 3.896 30 20 CHED CCCCCC(C)(C)CNC(=O)c1cc(C#N)cs1 755413691 OBLFIPOPFILKTD-UHFFFAOYSA-N 278.421 3.956 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CSc2ccccc21 851210449 VLVULECESDVUFV-YPMHNXCESA-N 289.400 3.747 30 20 CHED C=CCCONC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 856034711 KOXQDOUCEWJICZ-KGLIPLIRSA-N 273.376 3.600 30 20 CHED CC[C@H](C)COC(=O)CCCCOc1cccc(C#N)c1 756409651 CPDUXDSHJXJNGU-AWEZNQCLSA-N 289.375 3.697 30 20 CHED COc1cc(C#N)ccc1C(=O)N1CCCC12CCCCC2 935120872 MNKUVFVYEJHFIH-UHFFFAOYSA-N 298.386 3.506 30 20 CHED Cc1cccc2c1CCN(C(=O)Nc1sccc1C#N)C2 931848416 ZOCUCARZSKTUOY-UHFFFAOYSA-N 297.383 3.518 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)cnc1Cl 760266748 ZYDNAKRFFCEECS-GORDUTHDSA-N 299.757 3.970 30 20 CHED C#CCCNc1ccc2sc(C(=O)OCC)cc2c1 760291168 UTNSHJTZRAWGAD-UHFFFAOYSA-N 273.357 3.513 30 20 CHED CCCOc1ccc(NC(=O)N[C@@H](CC)CC#N)cc1C 861623742 DLIJDJKOORZJLA-ZDUSSCGKSA-N 289.379 3.598 30 20 CHED C=C[C@@H](CC)CC(=O)N1Cc2cccc(Cl)c2C1 935990600 HHXQQZVSEDTOQO-NSHDSACASA-N 263.768 3.785 30 20 CHED C#CCOc1ccc([C@@H](C)NCCCCC=C)cc1 769990729 WLSAKTQBEVUNJG-OAHLLOKOSA-N 257.377 3.706 30 20 CHED CCC(C#N)(CC)C(=O)OCc1nc(C(C)(C)C)cs1 860197998 LYCAQMRGWCQHBV-UHFFFAOYSA-N 294.420 3.814 30 20 CHED CCCCCCCNC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 862356938 IXKUPEPAJCAGKT-ZIAGYGMSSA-N 281.440 3.714 30 20 CHED Cc1cc(/C=C\C(=O)c2ccnc(Cl)c2)ccc1C#N 766492073 UTFOBHLBNDBONQ-HYXAFXHYSA-N 282.730 3.811 30 20 CHED CC(C)[C@@H](C)C(=O)OCc1ccccc1C(C)(C)C#N 768023106 HRRSRIAJDRHWRH-CYBMUJFWSA-N 273.376 3.823 30 20 CHED C[C@H](C#N)CN(C)c1nc(Cl)cc2cc(F)ccc12 865440882 OTDPUIRHLFQIBG-SECBINFHSA-N 277.730 3.623 30 20 CHED COc1ccc(C)cc1/C=C1/CCc2scnc2C1=O 863196247 BUQXBOORBLQUHS-FLIBITNWSA-N 285.368 3.673 30 20 CHED CC(CCC1CCCC1)=NNc1ccc(C(=O)O)cn1 763370234 ODYAPXLNBBLQLZ-UHFFFAOYSA-N 275.352 3.538 30 20 CHED C#CC[C@@H](OC(=O)/C=C/c1ccc2[nH]ccc2c1)C(C)C 765961555 ZGCACCVVMYIYCE-UGAXZCSASA-N 281.355 3.772 30 20 CHED C=CCN(Cc1c[nH]nc1-c1cccs1)C(C)C 768547836 RDSVPPIPALWSJY-UHFFFAOYSA-N 261.394 3.535 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(Cl)nc1C 879816844 KFPQHQFRSQWBIK-UHFFFAOYSA-N 252.745 3.584 30 20 CHED Cc1cccc2cc(C(=O)O[C@H](C#N)C(C)(C)C)oc12 765616245 IRCGWRXTVVUADY-CYBMUJFWSA-N 271.316 3.836 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NN[C@@H]1CCO[C@@H](C)C1 872364573 OGWQBVUIUAPKQW-GOEBONIOSA-N 299.418 3.634 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccc(C)cc2S1 1116821463 MDKWFLSTTBZHNM-HOCLYGCPSA-N 287.428 3.579 30 20 CHED COc1ccc([N+](=O)[O-])cc1CSCC1(CC#N)CC1 871709946 JHSYBLGYJDXRHO-UHFFFAOYSA-N 292.360 3.530 30 20 CHED CCc1nc(C)c(C(=O)O[C@@H](C#N)C2CCCCC2)s1 776382495 DYQPOXUFFSGDCX-LBPRGKRZSA-N 292.404 3.643 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1ccc(F)c(F)c1 878118783 SHTPEJZOLILGRQ-UHFFFAOYSA-N 267.319 3.526 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C(C)=C(\C)CC 779959119 JKIHPVXGJOQBOT-VAWYXSNFSA-N 275.323 3.523 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc(F)cc1Cl 773159331 HIMXZMZYWWWDNU-MLPAPPSSSA-N 298.704 3.843 30 20 CHED C#CCN[C@@H](CCC=C)c1ccc(C(F)(F)F)cc1 775554322 WTBLSSXXEMVHSS-AWEZNQCLSA-N 267.294 3.936 30 20 CHED C#CCCCCCCN[C@H](CC=C)c1ccncc1 877046433 NFAYWKRBONZTOL-QGZVFWFLSA-N 256.393 3.872 30 20 CHED C#CCCCCCC(=O)NCc1ccc(C)cc1SC 779930681 QBBDESHSXCNIIK-UHFFFAOYSA-N 289.444 3.917 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCCOc2c(F)cccc21 777873548 OGVDQZPFLUYKPT-MXDDHBLUSA-N 285.318 3.864 30 20 CHED Cc1cc(F)ccc1/C=C1\CC(=O)Nc2ccccc2C1=O 774145532 OXFMQTWHVLFITQ-UKTHLTGXSA-N 295.313 3.743 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)[C@H]2CCCc3cccc1c32 777466325 AAZKLXVVCOYRBJ-MLJKTZRHSA-N 279.314 3.921 30 20 CHED C[C@H](C#N)COC(=O)c1sccc1-c1ccc(F)cc1 770932074 KNJCAEURNSUDKT-SNVBAGLBSA-N 289.331 3.871 30 20 CHED C[C@@H](Cc1ccccc1)n1cccc1C(=O)OCCCC#N 773712789 NQTULHNJXOWANC-HNNXBMFYSA-N 296.370 3.752 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(C)c(C)c1O 777462364 AFAIOGKSDDGFCB-UHFFFAOYSA-N 275.270 3.702 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1sccc1O 771744714 MODRIVNAENBTCS-UTCJRWHESA-N 296.294 3.951 30 20 CHED C[C@]1(c2ccccc2)CCC(=NOC[C@@H]2CCOC2)C1 788030773 PTNLUASMCFAHQA-PBHICJAKSA-N 273.376 3.537 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2)c2ncccc12 1124203558 KUQUSYBCOFAYPG-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Fc1cc(NN=C2CCOC3(CCCCC3)C2)ccn1 884448562 FYDFEEONWBZESB-UHFFFAOYSA-N 277.343 3.502 30 20 CHED C=CCC[C@H](C)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 788623187 VKITVECYCATZOC-XIRDDKMYSA-N 261.409 3.689 30 20 CHED C[C@H](C=NNc1ccc(C(=O)O)cc1)Cc1ccccc1 783769668 HWQOJSKJQBNXEW-ZDUSSCGKSA-N 282.343 3.661 30 20 CHED C#Cc1cccc(N(C)C(=O)Cc2ccccc2Cl)c1 103033683 PRZCMMVMWKZTRC-UHFFFAOYSA-N 283.758 3.527 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccnc(F)c1)CCC2 781133364 UPYLQTJGKTUKGC-UHFFFAOYSA-N 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C=C[C@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 154022085 LFYAVCIXENXMRN-ZDUSSCGKSA-N 251.329 3.658 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCO[C@H](c2ccccc2)C1 157280878 JTEDTSJLUATCKG-IRXDYDNUSA-N 286.419 3.826 30 20 CHED C#Cc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 809607156 QPGQOBAZPNBWIV-SUMWQHHRSA-N 265.356 3.674 30 20 CHED N#Cc1cccc(Br)c1NC1CCSCC1 865491996 SHDAZPSIXPHFMJ-UHFFFAOYSA-N 297.221 3.628 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2F)cc1 20264507 HZVRBXUUCPBMHC-UHFFFAOYSA-N 268.335 3.638 30 20 CHED Cc1nnc(N[C@@H](C)c2ccc(Cl)s2)c(C#N)c1C 42373699 LCWVDIJSWVBYNI-VIFPVBQESA-N 292.795 3.853 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1ccccc1F 37488223 GDBBVRGISRJJRC-LBPRGKRZSA-N 254.308 3.548 30 20 CHED COc1cc(F)cc(Nc2nc(Cl)c(C#N)s2)c1 311083733 XFULJICTCBZGLK-UHFFFAOYSA-N 283.715 3.559 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(C#N)c1 347876524 ONQBWRUGPIYPSJ-UHFFFAOYSA-N 290.366 3.777 30 20 CHED Cc1ccc([C@H](C)NCCc2cccc(C#N)c2)cc1 467438482 NKPOPIUMHMBYCR-HNNXBMFYSA-N 264.372 3.760 30 20 CHED N#Cc1cc(CN2CC[C@H](C3CCCC3)C2)ccc1F 708820510 DWLNHYBPKFEKSP-HNNXBMFYSA-N 272.367 3.709 30 20 CHED C=CC1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 493007613 YXYDIUHURZQHSN-UHFFFAOYSA-N 280.755 3.646 30 20 CHED CSCC1CCC(Nc2nccc(C)c2C#N)CC1 385438404 GTHNIDSXXFBMNV-UHFFFAOYSA-N 275.421 3.595 30 20 CHED CSC(C)(C)CNc1cc(Cl)ccc1C#N 135490788 LYQBBBJZMLRFEO-UHFFFAOYSA-N 254.786 3.765 30 20 CHED N#Cc1cccc(C[S@](=O)c2cccc(Cl)c2)c1 108092075 FYNNXXNRAPHZRY-GOSISDBHSA-N 275.760 3.519 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1C 59269486 GVGDPRIWFLOZPM-FNORWQNLSA-N 294.350 3.971 30 20 CHED C=C(Br)CN1CCc2sccc2[C@@H]1C 52440142 SJRYVBXWODMXBU-VIFPVBQESA-N 272.211 3.576 30 20 CHED Cc1ccc(C(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1 102974453 RFOAUIGNJCUUAZ-UHFFFAOYSA-N 278.355 3.783 30 20 CHED CCN(CC)C(=O)Nc1ccccc1S[C@H](C)CC#N 109028091 CQJUEIDGRONGED-GFCCVEGCSA-N 291.420 3.955 30 20 CHED C=C(Br)CN(C)[C@@H](C)c1sc(C)nc1C 106936618 RJVWGVXQNQUXQG-VIFPVBQESA-N 289.242 3.661 30 20 CHED N#CCC[C@H](C#N)CN1CCCC2(CCCCCC2)C1 174802180 UYVWNYUSMAGGDD-MRXNPFEDSA-N 273.424 3.866 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)s2)on1 116852060 RSIWVJJQMFTTRW-MRVPVSSYSA-N 296.779 3.751 30 20 CHED CC(C)(C)c1csc(CCNCc2ccc(C#N)cc2)n1 105497860 DIZJHFRCXCSTPZ-UHFFFAOYSA-N 299.443 3.645 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)c2sccc2C#N)c1 52036578 GHWNHALOPLLDOY-HNNXBMFYSA-N 296.395 3.906 30 20 CHED C=CCSCCNC(=O)C[C@H](C)c1ccccc1C 116182932 JORGTJCTZKINOZ-AWEZNQCLSA-N 277.433 3.524 30 20 CHED Cc1cc(NC(=O)NCCCCC#N)ccc1OC(C)C 173727879 IODJLZBMSTUONO-UHFFFAOYSA-N 289.379 3.598 30 20 CHED N#CC1(C(=O)NC2CCC(c3ccccc3)CC2)CCCC1 25098977 RHMGREOCBSUPNA-UHFFFAOYSA-N 296.414 3.913 30 20 CHED C=CCS[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 114757512 HKXQETOLXLQIDM-OLZOCXBDSA-N 277.433 3.734 30 20 CHED Cc1ncsc1/C=C/C(=O)c1ccc(O)c(Cl)c1 119260430 DIBFQYYXHZOHOY-SNAWJCMRSA-N 279.748 3.707 30 20 CHED C[C@H](CCNCc1ccc(C#N)cc1F)c1ccccc1 61910629 MGIKKXRIMSMSGO-CQSZACIVSA-N 282.362 3.981 30 20 CHED C#CCCCCC(=O)NCc1csc(-c2ccccc2)n1 179677523 CJYXFOOGGBIEMX-UHFFFAOYSA-N 298.411 3.620 30 20 CHED C#CCCCCC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 119889368 DHHGERUPLNQVFW-SMDDNHRTSA-N 293.769 3.645 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1(Cc2ccccc2)CC1 178629615 MQIURNYBXOQSHE-UHFFFAOYSA-N 290.366 3.828 30 20 CHED C[C@H](CNc1ccc(Cl)c(C#N)n1)Cc1cccs1 301409944 JPJUIPZGPZVIBR-JTQLQIEISA-N 291.807 3.959 30 20 CHED CC[C@H](C)N(C)Cc1ccc(OC)c(OCCCC#N)c1 179325015 OBMJJPIGHZLHPE-AWEZNQCLSA-N 290.407 3.608 30 20 CHED Cc1c(C#N)cccc1NC(=O)C(C)(C)c1cccc(F)c1 178641397 SJKXSCAONCHNIM-UHFFFAOYSA-N 296.345 3.922 30 20 CHED C[C@@H](CSc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 111944495 DKJOFNCJWSLWCH-ZFWWWQNUSA-N 296.395 3.686 30 20 CHED CCOc1cccc(/C=N/[C@@H]2CCC[C@H](SC)C2)c1O 117107666 QQWWBWASQFULGJ-PBTRJEIRSA-N 293.432 3.884 30 20 CHED CC(C)[C@H](CNCc1cc(C#N)cs1)Nc1ccccc1 177697934 XMPYSCJCBKQEKV-KRWDZBQOSA-N 299.443 3.846 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2oc(C)cc2C)cc1 176246645 LLCXGJWQSLYFCX-UHFFFAOYSA-N 282.343 3.765 30 20 CHED CSCCCN(C)c1ccc(C#N)cc1Br 304226221 PJHAJUIKWDETPX-UHFFFAOYSA-N 299.237 3.510 30 20 CHED Cc1csc(-c2cccc(C(=O)OCCCC#N)c2)n1 172420482 ISWJOCHHTLVQJI-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(CC#N)c1 172395385 AYZJTTRIJVTDSW-UNEWFSDZSA-N 282.387 3.546 30 20 CHED CC[C@@H](CNc1ccc(C#N)cc1)Oc1ccccc1F 301490352 APWMQXQYPGIMTK-HNNXBMFYSA-N 284.334 3.967 30 20 CHED COCC1CCC(=NNCc2ccccc2Cl)CC1 1261277983 RWIKPBSYQRIDBS-UHFFFAOYSA-N 280.799 3.622 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 23010191 HGKLAFFMQXAQBU-HOTGVXAUSA-N 267.372 3.845 30 20 CHED CC(C)(NCc1ccccc1C#N)c1ccc(F)cc1 171672380 QDWCLPUXNBKADI-UHFFFAOYSA-N 268.335 3.722 30 20 CHED Cc1nc(C(=O)N2CCCCC[C@H]2CC(C)C)ccc1C#N 172571415 VCJYKXBSKQTMTN-INIZCTEOSA-N 299.418 3.693 30 20 CHED CCOc1ccccc1[C@H](CC)Nc1ccc(C#N)cn1 301150068 ODUWBMAQXRJXLO-HNNXBMFYSA-N 281.359 3.915 30 20 CHED N#Cc1cccnc1N1CCC(c2ccc(Cl)cc2)CC1 302431907 QAEJDNHLQWMQTR-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H](C)[C@H]1C)c1ccccc1 179548205 WSNDQIMEWVAJGX-ARFHVFGLSA-N 271.404 3.993 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1cc2ccccc2o1 64456639 SMQYSBSVVZYXRH-UHFFFAOYSA-N 292.294 3.565 30 20 CHED COc1cccc2c1CC[C@H]2Nc1ccc(C#N)cc1F 301635460 KSGWJVFRNWEARD-OAHLLOKOSA-N 282.318 3.805 30 20 CHED N#Cc1ccc(N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 302208460 LHDHHVLHWNDACI-QGZVFWFLSA-N 298.773 3.790 30 20 CHED C=CCCCCCCNc1ncc(C(=O)O)cc1Cl 311996295 QVRAZPYMSMNZMH-UHFFFAOYSA-N 282.771 3.982 30 20 CHED CSc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 122335846 SSFNKNXJQOKJHK-GFCCVEGCSA-N 288.397 3.664 30 20 CHED CCc1nc([C@@H](C)NCc2ccc(F)c(C#N)c2)cs1 184737613 URKXSWIHJOALPW-SNVBAGLBSA-N 289.379 3.567 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)cc1 33364511 RVQPIBLKECMDSH-YWEYNIOJSA-N 280.323 3.662 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H](C)Sc2ccccc2)cc1 304808615 UTKZBSARSNDASN-CQSZACIVSA-N 299.443 3.902 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)N(CCC#N)CC(C)(C)C 424640470 AYPNAHJIQHNHBE-UONOGXRCSA-N 264.413 3.601 30 20 CHED N#CCSc1cccc(C(=O)Nc2ccccc2F)c1 79380704 NCGJLQDOYFCVLD-UHFFFAOYSA-N 286.331 3.694 30 20 CHED C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1C 501807031 UPNQFTLVZSONGY-LSDHHAIUSA-N 270.420 3.966 30 20 CHED Cc1cc(NC(=O)N(C)[C@H](C)CC#N)ccc1C(F)(F)F 120604365 MKQWMKVWWDRORK-SNVBAGLBSA-N 299.296 3.780 30 20 CHED C=CCC[C@H](NC(=O)CCc1ccncc1)c1ccccc1 123089494 HASPZQXMDCSJMI-SFHVURJKSA-N 294.398 3.838 30 20 CHED C/C(=C\C(=O)OC(C)(C)C#N)c1cccc(C(F)(F)F)c1 181847760 IDDFVYHKLNAURZ-JXMROGBWSA-N 297.276 3.954 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 77611343 GRYZAHRBRIZXLZ-YOEHRIQHSA-N 299.418 3.668 30 20 CHED N#Cc1cc(Cl)ccc1NCCCNc1ccccn1 180409680 GHUHZUHDSAHBDS-UHFFFAOYSA-N 286.766 3.521 30 20 CHED C[C@@H](NC(=O)CCC1CCCC1)c1cccc(C#N)c1 75264499 CXBYBDXIIZUTEH-CYBMUJFWSA-N 270.376 3.706 30 20 CHED N#C[C@H]1CCC[C@H](NCC2(Cc3ccccc3)CC2)C1 185867258 CDCDFYMNGVZXRS-IRXDYDNUSA-N 268.404 3.681 30 20 CHED C=C(Cl)CSCc1ccc(C(=O)N2CCCC2)cc1 79085832 QNONPJGDKZFXKE-UHFFFAOYSA-N 295.835 3.908 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)N(CC#N)c1ccccc1 78091334 IVCSYJIUKJNRTB-CQSZACIVSA-N 296.345 3.561 30 20 CHED C=C[C@H](CC(=O)N1CCc2ccsc2C1)c1ccccc1 123753207 VJGGYZPPCQHGBV-CQSZACIVSA-N 297.423 3.993 30 20 CHED Cn1ncc(Cl)c1/C=C/C(=O)c1cccc(Cl)c1 122609107 BSQDSQNJCRULBF-AATRIKPKSA-N 281.142 3.623 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1csc2cc(C)ccc12 410835593 OJZXIZFPIFOQRC-LBPRGKRZSA-N 286.400 3.974 30 20 CHED CC(=O)Oc1ccc(CSc2cccc(C#N)c2)cc1 128524103 JFXVABJNEUYSMT-UHFFFAOYSA-N 283.352 3.776 30 20 CHED C=C[C@@H](CC(=O)OCCCOC(C)C)c1ccccc1 122421173 ZXTAKUAUNUPKLD-HNNXBMFYSA-N 276.376 3.705 30 20 CHED CCCNC(=O)CCCS[C@@H](C)c1ccc(C#N)cc1 419421151 LHTMZVJLJZCDGJ-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(-c2ccc(Cl)cc2)no1 129607387 ZHNSARMGJSDKEU-NSHDSACASA-N 289.766 3.729 30 20 CHED C=C(C)CCc1noc(-c2cc(F)cc(F)c2)n1 508658591 BIYFSLNPAJIMAE-UHFFFAOYSA-N 250.248 3.524 30 20 CHED COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 189346259 KZAVOAOODMAFMM-AWEZNQCLSA-N 280.371 3.760 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]1c1cccnc1 336828216 XIQHNWOSHXWJJS-MRXNPFEDSA-N 271.408 3.939 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCO[C@H](C)c1ccccc1 189927020 GPTNXVQFNRKBJJ-QAPCUYQASA-N 289.419 3.873 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(-n2cccc2)c1 188115076 TWSPTGAJBYPQQL-SFHVURJKSA-N 298.386 3.645 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(OC(F)F)cc1 182587137 LZTPFQHCJHSJCD-NSHDSACASA-N 283.318 3.763 30 20 CHED N#CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 172571385 UZKMQUFIRPCBAA-UHFFFAOYSA-N 293.754 3.516 30 20 CHED N#Cc1ccc(CN2C[C@@H]3CCC(=O)c4cccc2c43)s1 185629277 KSUVLRGTXCBLTR-NSHDSACASA-N 294.379 3.700 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cn1 132262089 XWLHEIKMRBUAJJ-CYBMUJFWSA-N 294.354 3.995 30 20 CHED CC(C)CN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 49262465 NADRLLWWBDQJIC-UHFFFAOYSA-N 291.782 3.864 30 20 CHED CC(C)CN1CCC[C@H](CN[C@@H](C)c2cccc(C#N)c2)C1 182045692 RKUVWSGFKMCAHW-FUHWJXTLSA-N 299.462 3.577 30 20 CHED C[C@@H](N[C@@H]1CCc2ccccc2OC1)c1ccc(C#N)cc1 509516313 NWIJFWXXOQBNDX-RDTXWAMCSA-N 292.382 3.603 30 20 CHED C=C(C)CCc1noc([C@H](C)c2cccc(F)c2)n1 508687183 QWYPRFJTXGFTMB-LLVKDONJSA-N 260.312 3.869 30 20 CHED CC(C)c1nnc2ccc(N=C(O)[C@@H]3CC[C@H](C)C3)cn12 329991923 KCECHNNBMTVEKU-NWDGAFQWSA-N 286.379 3.877 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc(C)c(F)cc1Cl 410830326 USLLOVQGJWSKTD-SNVBAGLBSA-N 282.746 3.552 30 20 CHED Cc1ccccc1[S@](=O)CCC1(C#N)CCCCC1 414230821 GSSRAOLNXDXPGB-LJQANCHMSA-N 275.417 3.967 30 20 CHED Cc1cccc(CC[C@@H](C)NCc2ccc(C#N)cc2)c1 40500809 HIPAPLWBKBFDPF-MRXNPFEDSA-N 278.399 3.978 30 20 CHED C/N=C(/O)[C@@H]1CCC[C@@H]1/N=C(/O)C(C1CCC1)C1CCC1 329657837 NIYBFXCLZKQCLO-KGLIPLIRSA-N 292.423 3.914 30 20 CHED Cn1nc(CNc2cc(Cl)ccc2C#N)c2ccccc21 89174520 KUJXJSYEEQLVCL-UHFFFAOYSA-N 296.761 3.710 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccsc1)C2=O 48985594 ORKBHNZZUFUJIS-KPKJPENVSA-N 256.326 3.715 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)[C@@H](c1ccccc1)C1CC1 328981915 RXUSABRNYJSXKB-JYJNAYRXSA-N 268.360 3.829 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H](C)C[C@H](C)C2)cc1 502202460 KALAUOGFHBLYKV-GJZGRUSLSA-N 287.403 3.760 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCc2cc(C)ccc21 424598822 MBQZUVQZRNLOBN-HNNXBMFYSA-N 257.377 3.701 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)o1)c1ccc2c(c1)CCCC2 427992525 BSGADZOSKIMWCZ-GFCCVEGCSA-N 294.354 3.521 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 424791177 YCFWUTDKERXWCB-GFCCVEGCSA-N 293.357 3.883 30 20 CHED N#C[C@@H](NC(=O)C=C1CCC1)c1cccc(Cl)c1Cl 87332023 DCOYLGVYEMFNPR-GFCCVEGCSA-N 295.169 3.785 30 20 CHED CCCCc1ccc(C(=O)/C=C/c2csnn2)cc1 193341936 NKPZKWQBBOUFBK-MDZDMXLPSA-N 272.373 3.777 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1 222211789 HXMGXWBAOCSROZ-PLNGDYQASA-N 268.703 3.503 30 20 CHED C#CCCCC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 190509509 DJVCKDRZNAEZEB-ZDUSSCGKSA-N 292.448 3.898 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C)C(F)(F)C1)c1ccccc1 427667558 CRPWURSTANJEGL-ZIAGYGMSSA-N 293.357 3.850 30 20 CHED C[C@@H]1CN(Cc2ccccc2)CCN1CCCC(C)(C)C#N 174857813 PHVYYOLDFQLNDE-QGZVFWFLSA-N 299.462 3.523 30 20 CHED N#Cc1ccncc1C(=O)N1CCCC2(CCCCC2)CC1 329710980 NYIVTEGKYKPNBV-UHFFFAOYSA-N 297.402 3.530 30 20 CHED C[C@H](/N=C(/O)[C@@H]1CCC(=O)c2cccn21)C1CCCC1 329849567 NUMRUJSIVOQVCN-FZMZJTMJSA-N 274.364 3.541 30 20 CHED CC[C@@H](CN(CCC#N)CC1CC1)c1ccccc1 513750714 NLCRDQFIFMPTJA-INIZCTEOSA-N 256.393 3.806 30 20 CHED C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)[C@H]2CCCC[C@@H]21 84077846 HMTORLAWOHQSAK-BNOWGMLFSA-N 288.416 3.661 30 20 CHED C#CCCCC(=O)NCC1(c2cccs2)CCCCC1 192341601 CKKDQQWVFCICTO-UHFFFAOYSA-N 289.444 3.870 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 518925158 DXSICRWKMXBBHE-QWRGUYRKSA-N 288.416 3.873 30 20 CHED C[C@H](NCc1cc(C(F)(F)F)ccc1F)C(F)(F)F 424183545 JMJDAYQCOFPSIB-LURJTMIESA-N 289.194 3.885 30 20 CHED CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccncc1 335179572 UNAHZNGSOMXDME-QGZVFWFLSA-N 295.361 3.675 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1 86284223 HUKCJNMQMJOTMI-QWHCGFSZSA-N 289.379 3.630 30 20 CHED CSc1ccccc1C[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 424333620 UQBSDMSECZWLQM-VNHYZAJKSA-N 274.433 3.621 30 20 CHED Cc1ccc(COC(=O)CCc2ccc(C#N)cc2)cc1 194964780 DXVAVNXVUQYLGO-UHFFFAOYSA-N 279.339 3.543 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(CC#N)cc1 330492894 RQROWNWPJGFLNN-CZUORRHYSA-N 284.403 3.697 30 20 CHED CCOc1ccc(OC)cc1NCC(C)(C)CCC#N 92169140 MABKAJXUXMNCEC-UHFFFAOYSA-N 276.380 3.836 30 20 CHED C#CCCCCN[C@H](C)c1cnc2ccsc2c1 90398157 IWXOYBUDVZZYIL-GFCCVEGCSA-N 258.390 3.750 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cnn(C(C)(C)C)c1 425368065 VKZJLVDURSFUNR-CQSZACIVSA-N 296.418 3.703 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(Cl)o1 93100768 ZBZSNNLPLZZFMX-UHFFFAOYSA-N 254.761 3.695 30 20 CHED CC(=O)c1ccc(Oc2nc(C)ccc2C#N)c(C)c1 334354140 JGVWLRSBOYYGMK-UHFFFAOYSA-N 266.300 3.565 30 20 CHED C=CCCCCCCNCc1csc(CC)n1 383866808 OZEZUZWPIOFLSF-UHFFFAOYSA-N 252.427 3.932 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccn1CCC(C)C 435744300 DXHMGWJGPHCAJW-FUHWJXTLSA-N 290.451 3.605 30 20 CHED N#Cc1ccc(NCc2csc(-c3ccccc3)n2)cn1 337674088 WWJUPDDIPMPQHR-UHFFFAOYSA-N 292.367 3.689 30 20 CHED CC(C)[C@@H](C)N(C(=O)[C@H](C#N)CCc1ccccc1)C1CC1 433300236 SOKFUWSLFRMFNH-WBVHZDCISA-N 298.430 3.794 30 20 CHED C=CCN(CCC1CCCC1)S(=O)(=O)c1cccs1 437604205 QGTYSFDLMQUPLN-UHFFFAOYSA-N 299.461 3.505 30 20 CHED N#Cc1ccc(NCc2c[nH]nc2-c2ccsc2)cc1 438846569 KMLTUCAJADTGIA-UHFFFAOYSA-N 280.356 3.622 30 20 CHED CC1=C(C)C[C@H](C(=O)N2CCCc3cc(C#N)ccc32)CC1 520815742 XXWGRRLLSCZKEB-QGZVFWFLSA-N 294.398 3.974 30 20 CHED C[C@@H](Nc1ccc2c(c1)ncn2C)c1cccc(C#N)c1 348808355 LCPVFKQGCFBGGO-GFCCVEGCSA-N 276.343 3.618 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCCC(F)(F)F 436310667 SADLQVFAWVNHPK-AVGNSLFASA-N 279.346 3.678 30 20 CHED CCC1(C)CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 435158086 HQWWYLVJSJHPRI-UHFFFAOYSA-N 289.354 3.741 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1ncc(C(C)(C)C)o1 245787022 NASAZFDKBDSFAL-NWDGAFQWSA-N 263.385 3.515 30 20 CHED COc1cc(C#N)ccc1CN1CCCC(C)(C)CC1 347247143 YSAKXWPSLMDFAQ-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Br)nc1C 293507680 PIFGXMBTKDJXDU-UHFFFAOYSA-N 297.196 3.693 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)NCC2(CC#N)CC2)CC1 430919779 RXBNAMLQHYBRIE-HUUCEWRRSA-N 291.439 3.584 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(F)c(C#N)c1 341396047 BIAZPPYXNVYFOP-LRDDRELGSA-N 288.366 3.738 30 20 CHED C[C@H](CCC#N)CNC1(CCOCc2ccccc2)CC1 602579828 HQPMLYFRYHVPSX-MRXNPFEDSA-N 286.419 3.655 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@@]3(CCc4ccccc4O3)C2)C1 528728225 JLQWJIVRQKSJKI-HHXXYDBFSA-N 296.414 3.538 30 20 CHED CCOc1ccc(C=NOCc2ccc(Cl)nc2)cc1 255773547 NMAORNAUNKTWBJ-UHFFFAOYSA-N 290.750 3.684 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(F)c(Cl)c2)cn1 254928056 SGTRWAHOLPWIJL-UTCJRWHESA-N 278.714 3.592 30 20 CHED COc1c(CNc2nc(C)ccc2C#N)oc2ccccc12 343233211 PBXDFRGVDBAMGC-UHFFFAOYSA-N 293.326 3.629 30 20 CHED C=CCNC(=O)Nc1ccc(C)c(OCCC(C)C)c1 606962031 FHZXTWUVFOPRKT-UHFFFAOYSA-N 276.380 3.727 30 20 CHED COC1CCC(CCNc2c(F)cc(C#N)cc2F)CC1 347864905 YJIHMCBRWOQGHU-UHFFFAOYSA-N 294.345 3.844 30 20 CHED C=CCOCCCN(C)[C@H](COC)c1ccc(Cl)cc1 348168571 NBJYHRODLNBQND-MRXNPFEDSA-N 297.826 3.552 30 20 CHED CCc1nc2c(s1)[C@H](N(C)C[C@H](C)CCC#N)CCC2 602480401 VXFMGLBINDKBHF-TZMCWYRMSA-N 291.464 3.955 30 20 CHED Cc1cccc2sc(C(=O)NC(C)(C)C#N)c(Cl)c12 603883248 NMCZIWDYUZWJOH-UHFFFAOYSA-N 292.791 3.895 30 20 CHED COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 341756183 CWJZFJLOUHAACV-IBGZPJMESA-N 292.382 3.734 30 20 CHED C[C@@H](C#N)CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 526986005 RSFHGYIUYYMZDE-ZRUFSTJUSA-N 268.813 3.643 30 20 CHED C/C=C\c1ccc(NC(=O)c2ccc(C#N)c(C)n2)cc1 345715968 WSKNJQVXZPELOM-ARJAWSKDSA-N 277.327 3.547 30 20 CHED C=CC1CCN(C(=O)COc2ccccc2C(C)C)CC1 521093803 HFYGBOKMASKILP-UHFFFAOYSA-N 287.403 3.613 30 20 CHED COc1ccc([C@@H](C)NC[C@@H](C)CCC#N)c(C)c1OC 602661356 DGRBUDUSHAMNRU-GXTWGEPZSA-N 290.407 3.603 30 20 CHED CCOc1ccc(Cl)cc1CCNC[C@H](C)CCC#N 602575986 IBUPSFBPEMYBEW-CYBMUJFWSA-N 294.826 3.811 30 20 CHED CC(C)[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccncc1 344193774 YHGDTBRMEHSZMJ-KRWDZBQOSA-N 293.370 3.526 30 20 CHED C=CC[C@H]1N(C(=O)NC2CC(F)(F)C2)CCCC1(C)C 447810596 JURDZAJFPDLHJW-GFCCVEGCSA-N 286.366 3.560 30 20 CHED C=CC[C@@H](C)NC(=O)CSc1ccc(C(C)C)cc1 523962946 NDNHGPDXMUTIOH-CYBMUJFWSA-N 277.433 3.983 30 20 CHED CC(=NOCc1cc(Cl)ccc1Cl)c1cnn(C)c1 255907597 UDWZMMSSGTZNNC-UHFFFAOYSA-N 298.173 3.668 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 528423822 ISPUYCQJHWDPMG-KGLIPLIRSA-N 264.413 3.647 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H]2CCOc3ccccc32)n1 343036836 BZCKTQZPGMEZDD-CQSZACIVSA-N 293.370 3.548 30 20 CHED C=C(C)[C@@H](NC[C@@H](F)CC)c1ccc(F)c(F)c1 440501026 CYQPUTWYIFWWQY-SMDDNHRTSA-N 257.299 3.920 30 20 CHED CC(C)(C#N)CCOc1ccccc1OCC(F)(F)F 538646540 KKDVHEUTMFAMCK-UHFFFAOYSA-N 287.281 3.946 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)NCC(CC)CC 609206872 KEFDTRSGNPXMHC-UHFFFAOYSA-N 289.379 3.515 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)C[C@@H](C)CC(C)(C)C 604545207 HNYSYVFHMGNSQR-CJNGLKHVSA-N 266.429 3.893 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1 255678734 LSXWBCWVJJXYMT-YWEYNIOJSA-N 273.719 3.640 30 20 CHED CC(=NOCc1nc(C(C)C)no1)c1cc2ccccc2o1 255071071 ANIGNUWHXJWOOF-UHFFFAOYSA-N 299.330 3.880 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1ccc(Cl)cc1 255494454 UXYSJYCFTOFTTG-HJWRWDBZSA-N 282.730 3.884 30 20 CHED N#Cc1ccc(S[C@@H]2CCc3ccccc3NC2=O)cc1 358508728 IIOAGQXKEYTKGU-MRXNPFEDSA-N 294.379 3.604 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Br)o1 182628536 GZHNMNUOMAIJRA-VIFPVBQESA-N 286.169 3.517 30 20 CHED Cc1ccc(C=NOCc2ccc(C#N)cc2F)cc1 255370228 SDBGNHCQTLRPGM-UHFFFAOYSA-N 268.291 3.557 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCC1(C)C 354098149 UZTONBDBDUBPQF-CYBMUJFWSA-N 285.391 3.755 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc(F)cc1OC(F)F 255519217 OPNWQWSLUIZDEL-UTCJRWHESA-N 293.244 3.718 30 20 CHED CC[C@@H](CC#N)NCc1cc(OC)c2ccccc2c1 449244406 SGHYJVYLGXQMFO-HNNXBMFYSA-N 268.360 3.630 30 20 CHED C[C@H](CCC#N)CN[C@@H](c1ccccc1)c1nccs1 602535700 XWTPDNQZBSKQMK-HIFRSBDPSA-N 285.416 3.762 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCC(=O)C[C@@H]2C)CCCC1(C)C 443868436 NKOYAFUXGWVJNE-BPUTZDHNSA-N 291.435 3.585 30 20 CHED C[C@@H](C#N)Cn1nc(C(F)(F)F)cc1-c1cccs1 601931362 DJNWHLYLPZTLND-QMMMGPOBSA-N 285.294 3.790 30 20 CHED C[C@H](CN(C)CC(C)(C)C#N)c1cc(F)cc(F)c1 449339947 LVYUABXEAYUFOG-LLVKDONJSA-N 266.335 3.550 30 20 CHED CCc1ccccc1CSc1nc(C)nc(C)c1C#N 445595035 ZDVNHMJXXYZACT-UHFFFAOYSA-N 283.400 3.820 30 20 CHED C=CCCCC[C@H](C)NC[C@H]1CCC[C@@H](CO)C1 449328507 FRYVFYUNXHWERT-HRCADAONSA-N 253.430 3.510 30 20 CHED C=C(C)CN(CC)C(=O)c1ccn(Cc2ccccc2)c1 358962124 YVZGWOKXIQELOT-UHFFFAOYSA-N 282.387 3.575 30 20 CHED C=CCCOCCCCC(=O)NC[C@H]1CCC[C@@H](C)C1 538298276 IGDGUKPOLWENBU-CVEARBPZSA-N 281.440 3.692 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1 354371989 QOPNMTMYIMWLNK-MLGOLLRUSA-N 288.366 3.738 30 20 CHED C=CC(C)(C)C(=O)NCCOc1ccc2ccccc2c1 448616365 PYBJELNVYHAWON-UHFFFAOYSA-N 283.371 3.547 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(CC#N)cc2)C[C@H]1C 448593524 BFCVXJYHTMRMSX-NFAWXSAZSA-N 270.376 3.763 30 20 CHED C=CCCCC(=O)N[C@H]1CCOc2c(CC)cccc21 267120939 DFTVDKWAEWXAIF-HNNXBMFYSA-N 273.376 3.545 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(c3cccc(Cl)c3)CC2)C1 442774873 BBNIYHBAIQNUAX-SWLSCSKDSA-N 274.795 3.653 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2c(Cl)cccc2Cl)C1 442722382 VFVJNXWIUBCRFD-WDEREUQCSA-N 283.202 3.818 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccncc1 443998749 RKCRXRANFNWBRE-QGZVFWFLSA-N 265.360 3.503 30 20 CHED CC(C)[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 444758581 YSUOSOSCEPCWLC-RHSMWYFYSA-N 256.393 3.987 30 20 CHED C[C@H](Cc1cccs1)N[C@@H]1CCc2cc(C#N)ccc21 618806474 RDBIUDXDZWDXDE-SJKOYZFVSA-N 282.412 3.828 30 20 CHED CN(C)C(=O)CCCCSc1ccc(Cl)cc1C#N 610655123 QCTITOLTUMUBMI-UHFFFAOYSA-N 296.823 3.562 30 20 CHED CN(C(=O)CCc1ccccc1Cl)c1ccc(C#N)cc1 359732912 XDLMLTQZHPBNPQ-UHFFFAOYSA-N 298.773 3.807 30 20 CHED CSc1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612295172 WOYJIBYCZGNTCK-HNNXBMFYSA-N 289.404 3.566 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1ccc(F)c(C#N)c1 352434925 DEWSRPMNZWRNBZ-UHFFFAOYSA-N 286.306 3.975 30 20 CHED C=CCC1(NC(=O)c2cccc(N3CCCC3)c2)CCCC1 619110033 CNWQGVTWOGFBMQ-UHFFFAOYSA-N 298.430 3.906 30 20 CHED C=CC[C@H](CC)NC(=O)c1cn(CC(C)C)nc1C(F)F 451622088 FAESVDIVKBOFMC-NSHDSACASA-N 299.365 3.561 30 20 CHED C=CCN(C(=O)N1CCc2ccccc21)c1ccccc1 530517606 RBTXJFBVMFRRGN-UHFFFAOYSA-N 278.355 3.862 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 456809148 ARBLTVLQGTYESW-GHMZBOCLSA-N 281.758 3.665 30 20 CHED COc1cc(C#N)ccc1CN(CC1CCC1)CC1CC1 361567799 VNAKDFMFKGGJTK-UHFFFAOYSA-N 284.403 3.579 30 20 CHED CC(C)(CC#N)CNCCCc1c(F)cccc1Cl 459659951 AJZRMNBORYQTAP-UHFFFAOYSA-N 282.790 3.941 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(C(C)(C)C2CCC2)no1 453276881 BBXWOPWOZKVUJW-CHWSQXEVSA-N 276.380 3.596 30 20 CHED C=CCC1(C(=O)NC[C@H](CCO)CC(C)C)CCCCC1 450019857 VXPGETOXHLBMNR-MRXNPFEDSA-N 295.467 3.674 30 20 CHED C=CCC1(C(=O)N2CC(C3CCC3)C2)CCCCC1 451674139 MRAAHLBKCLZKJL-UHFFFAOYSA-N 261.409 3.772 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)NCC(C)(C)CCC#N 451775552 OUKCEFHZFPAJIE-KGLIPLIRSA-N 264.413 3.649 30 20 CHED CC(C)[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 455881582 BRHNVVHESHXSAP-QGZVFWFLSA-N 298.430 3.631 30 20 CHED CC(C)N(Cc1ccccc1F)C(=O)CC(C)(C)C#N 278646785 ZTDALCWYUSROLN-UHFFFAOYSA-N 276.355 3.503 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C)c(C)c1Cl 541187667 GJUZVPAVBDBLRG-UHFFFAOYSA-N 265.784 3.995 30 20 CHED CC#CCN(C)C(=O)N(c1ccccc1)c1ccccc1 549986547 AFCQSIZWXLVBLM-UHFFFAOYSA-N 278.355 3.900 30 20 CHED C=CCC[C@H](Nc1cc(OC)cc(OC)c1)C1CC1 540822772 NIDSTHSSSPYJGX-INIZCTEOSA-N 261.365 3.861 30 20 CHED C[C@@]1(C#N)CCCN(c2ncc(-c3ccccc3)s2)C1 612108386 NGORNPRCBHIABL-INIZCTEOSA-N 283.400 3.940 30 20 CHED CN(C)C1(CNc2ccc(C#N)cc2)CCCCCC1 619511458 QIPFXNXOCAVAPG-UHFFFAOYSA-N 271.408 3.625 30 20 CHED N#CCc1ccc(NCC2CC(F)(F)C2)c(Cl)c1 453120630 DHRBMEIPLSWNKK-UHFFFAOYSA-N 270.710 3.863 30 20 CHED C=CCC[C@@H](CCC)NCC[C@H]1C[C@H]2CC[C@H]1O2 459665998 LAPSVUYWCTWTFS-ZJIFWQFVSA-N 251.414 3.669 30 20 CHED N#CCCCNCc1csc(-c2ccc(Cl)cc2)n1 541379664 AOLVUYDIJZBDEG-UHFFFAOYSA-N 291.807 3.857 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)c1ccc(Cl)s1 456810109 DODVPPLRQBZMNA-VIFPVBQESA-N 257.786 3.587 30 20 CHED C=C(C)CCNC(=O)c1cnn(C2CCCC2)c1CCC 452718899 RLGKYIMPFHLWKP-UHFFFAOYSA-N 289.423 3.647 30 20 CHED C=C(C)CN(CC)C(=O)NC1CC(C)(c2ccccc2)C1 545245553 MNOCVPCAOVADHF-UHFFFAOYSA-N 286.419 3.714 30 20 CHED C=CCN(Cc1cccc2c1OC(C)(C)C2)C1CC1 542690664 OAAPPRJCZDMWSF-UHFFFAOYSA-N 257.377 3.551 30 20 CHED C=CC[C@H](C)[C@@H](C)NCCC1CCC(OC)CC1 543623792 CIRQBHVHQLNQNF-QRNKSROTSA-N 253.430 3.772 30 20 CHED C=CCN(C(=O)C(C)(C)c1ccccc1Cl)C1CC1 543452584 IOXHSEQZZMRONT-UHFFFAOYSA-N 277.795 3.795 30 20 CHED CCc1ccc([C@H](C)CC(=O)NCC(C)(C)CC#N)cc1 457992465 KZTLCKUCORIHLS-CQSZACIVSA-N 286.419 3.799 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(CC#N)cc1 270318260 JNZQYUJPCIDMFU-COXVUDFISA-N 282.387 3.546 30 20 CHED CC#CCNc1ccccc1COCc1ccccc1 540614407 KBHZNAHJFILAKR-UHFFFAOYSA-N 265.356 3.839 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](CCOC)c1ccco1 272566150 OJPOGFZCOQUHDS-BFHYXJOUSA-N 251.370 3.548 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(CC)CC1 540570996 GLRLODLJVVJRFM-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc(SC)ccc1C 275450680 LRMJSISBDIWWMA-INIZCTEOSA-N 293.432 3.884 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NCc1ccc(C#N)cc1 542554242 WWKYUSFZSFDTOV-ZDUSSCGKSA-N 272.392 3.637 30 20 CHED C=CCCN(C)C(=O)CCCOc1ccc(C)cc1Cl 467084158 XCKKOEHWKBDONV-UHFFFAOYSA-N 295.810 3.842 30 20 CHED C=CCCOCC(=O)N(CCCC)C1CCCCC1 620328510 WDBZZQKKIBRSAU-UHFFFAOYSA-N 267.413 3.541 30 20 CHED C=CCOCc1nc(-c2ccc(O[C@H](C)CC)cc2)no1 545749156 PPNDAUVOMDCFMG-GFCCVEGCSA-N 288.347 3.617 30 20 CHED C[C@H](NCCCC#N)c1ccc(Oc2cccnc2)cc1 289494598 SVWCPSOLILRQSK-AWEZNQCLSA-N 281.359 3.828 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 284985873 MJKJUUCZGHNSNV-HZMBPMFUSA-N 298.308 3.822 30 20 CHED C=CCC1(C(=O)N(C)c2nc(C)cs2)CCCC1 460015790 UUJPATOUXGQPKB-UHFFFAOYSA-N 264.394 3.551 30 20 CHED C=CC[C@H](C(=O)N1CCCc2occc2C1)c1ccccc1 289610961 HSEQUIVLDYHLQJ-KRWDZBQOSA-N 295.382 3.914 30 20 CHED C=C1CC(C)(C(=O)N[C@H](C)c2cc3ccccc3o2)C1 630546882 AEJWUUAHYBIEHW-GFCCVEGCSA-N 269.344 3.966 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC2(CCC2)c2ccccc21 466391284 YFZBWDHVLYKNQA-AWEZNQCLSA-N 284.403 3.993 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCCCC2)O1 467199606 CCXMZPBLCGCJQY-SFHVURJKSA-N 298.430 3.872 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCC/C=C/CC 467320291 WZUHAJXAONWYON-MYSGNRETSA-N 269.454 3.889 30 20 CHED CC[C@@H](N=c1[nH]ccc(C#N)c1Cl)c1ccc(C)cc1 552909995 ZPRLEJRNULOWMN-CQSZACIVSA-N 285.778 3.900 30 20 CHED CC(C)CCSCC(=O)N[C@](C)(C#N)C1CCCCC1 555905236 YAOMHBIXQSANPN-MRXNPFEDSA-N 296.480 3.744 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccc(C2CCCC2)cc1 289945995 PXJGMNRAJRSDOP-CYBMUJFWSA-N 270.376 3.576 30 20 CHED CCN(Cc1cc2c(C)c(C)ccc2[nH]1)C[C@@H](C)C#N 473142546 JJRVMNPSACDRKU-LBPRGKRZSA-N 269.392 3.766 30 20 CHED C=CCCc1noc(CCc2ccc(OC(F)F)cc2)n1 297296214 MCDUISNWBMWMFO-UHFFFAOYSA-N 294.301 3.575 30 20 CHED C=CCCCCNC(=O)C/C=C\c1ccccc1F 471674440 SCYLUONZANQXQJ-NTMALXAHSA-N 261.340 3.702 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1c1cccc(C#N)n1 295023590 VCLBRSSDATTXOY-HBNTYKKESA-N 283.297 3.509 30 20 CHED C=CCCCCCCNC(=O)N1CC2(CCCC2)C1 807572971 VZUQAUSSGXZVHO-UHFFFAOYSA-N 264.413 3.709 30 20 CHED C#Cc1ccc(CN[C@H](C)c2cc(C)ccc2OC)cc1 809603405 OIJAQEMVYGRUFJ-OAHLLOKOSA-N 279.383 3.836 30 20 CHED CC1(C)CN(CC#Cc2ccc(F)cc2)[C@@H]2CCC[C@@H]21 550433078 DDSLQFWRMJJXTL-DLBZAZTESA-N 271.379 3.688 30 20 CHED C=C(CNC(=O)CC(C)(C)C1CC1)c1ccccc1 646293661 HLEWVCZQEDIZTK-UHFFFAOYSA-N 257.377 3.642 30 20 CHED CC(C)SCCOC(=O)c1cc(C#N)ccc1Cl 803834547 ITDVKTAPZBIVGM-UHFFFAOYSA-N 283.780 3.510 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2ccc(Cl)cc2)nc1 566569460 UHQYYCHMYCSVMC-KRWDZBQOSA-N 297.789 3.944 30 20 CHED C=CCCC1(C(=O)NCC2(Cc3ccccc3)CC2)CC1 476421107 GOXQRWPALUQHJI-UHFFFAOYSA-N 283.415 3.872 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@@H]1C[C@H]1c1ccccc1 802703720 JKSRAQMPWSXDPU-IRXDYDNUSA-N 294.354 3.976 30 20 CHED C[C@H](C=NNc1nnc(-c2ccccc2)n1C)C(C)(C)C 800809797 AXWKGBKMKZSBJD-GFCCVEGCSA-N 285.395 3.562 30 20 CHED CC(C)CC(=O)N(Cc1ccco1)c1ccccc1C#N 298403715 WKLFIYXZWWVZLN-UHFFFAOYSA-N 282.343 3.731 30 20 CHED CC(C)=CCCNC(=O)Nc1ccc(C#N)c(Cl)c1 479843144 WVWBMVWMXONZFQ-UHFFFAOYSA-N 277.755 3.689 30 20 CHED N#CCCCC(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 291222835 SMXQIKJKBZLRGH-UHFFFAOYSA-N 291.656 3.958 30 20 CHED C=CCCCCCCNC(=O)NCc1ccsc1 804914446 URJRTQJPSLAAFI-UHFFFAOYSA-N 266.410 3.684 30 20 CHED C=CCOCCCNC1(c2cccc(C(F)(F)F)c2)CC1 470789277 JRMXTOWWQOREMZ-UHFFFAOYSA-N 299.336 3.877 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 294289058 HVBVHBVZKBGJML-RDTXWAMCSA-N 282.387 3.646 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)OCC1(CC#N)CC1 802096192 YYVYSVLKEFPVGK-JKSUJKDBSA-N 283.371 3.590 30 20 CHED C=CCCCCNC(=O)NCc1ccc(F)c(Cl)c1 472965806 IWWHOMADJGIUDJ-UHFFFAOYSA-N 284.762 3.635 30 20 CHED CCc1ccccc1C(=O)N(CCC#N)c1ccc(F)cc1 562422107 LWSYRYNDVIIZCI-UHFFFAOYSA-N 296.345 3.949 30 20 CHED C=CCC(C)(C)CNC1CCC2(CCCO2)CC1 645478388 DUVGMTVQZWFDHF-UHFFFAOYSA-N 251.414 3.670 30 20 CHED C=CCCC1(C(=O)N(C)C[C@H](C)c2ccccc2)CC1 475594565 GKWAAICWQYEVNB-HNNXBMFYSA-N 271.404 3.995 30 20 CHED CC(C)[C@@H]1N(c2nc(Cl)c(C#N)s2)CC1(C)C 292660427 HFAPITMUGLNHJI-VIFPVBQESA-N 269.801 3.539 30 20 CHED CCc1cccc(C)c1NN=C(Cn1cccn1)C(C)C 802713832 WEDXYVJNEHYCGS-UHFFFAOYSA-N 284.407 3.878 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 563490191 BKGZUZJJPVKDAV-GXFFZTMASA-N 297.383 3.666 30 20 CHED C=CCN(C(=O)CCC(C)(F)F)c1ccccc1 643140081 VPICYZNRISECBY-UHFFFAOYSA-N 253.292 3.641 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1c1ncccc1C#N 563745233 CPAWZOKTDOSIJJ-GXTWGEPZSA-N 257.381 3.604 30 20 CHED C=CCN(C(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)c1ccccc1 647741793 JHTRZCFKLHQGGR-WBVHZDCISA-N 299.414 3.847 30 20 CHED O=[N+]([O-])c1cccnc1NN=Cc1ccc(C2CCC2)cc1 814870747 RGYBXTANDTWCDX-UHFFFAOYSA-N 296.330 3.703 30 20 CHED CCC(C=NN1CCc2ccccc2C1=O)(CC)CC 814892878 SZXVWOBVPZLAPV-UHFFFAOYSA-N 272.392 3.887 30 20 CHED CC(=NNc1c(C)cccc1F)c1cc(N)ccc1F 814904964 HWYZCQGTFUXNBC-UHFFFAOYSA-N 275.302 3.692 30 20 CHED N#Cc1cc2c(nc1NC[C@@H]1CCCCC1(F)F)CCC2 390861266 IAGCTCFFIFTIBX-ZDUSSCGKSA-N 291.345 3.679 30 20 CHED CC(C)[C@H]1CC(=NNCc2cnc3ccccc3c2)CS1 814877508 YAUISQJDGVKJCJ-QGZVFWFLSA-N 299.443 3.842 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H](C)[C@H]1CCC 488757582 ZKQADYRLOAMNIS-HUUCEWRRSA-N 274.408 3.715 30 20 CHED Cc1cc(CNCc2ccc([C@H]3C[C@@H]3C)o2)ccc1C#N 569777937 VFERSQPMAXDQAL-GUYCJALGSA-N 280.371 3.873 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cccc(CO)c1 813420078 JDOCYCVEQSHBKZ-HNNXBMFYSA-N 291.435 3.905 30 20 CHED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc(C)c1F 489030539 HUROFIOGVNIYSP-GTNSWQLSSA-N 288.366 3.645 30 20 CHED C=CCC1(C(=O)N(C)C[C@H](C)c2ccccc2)CCC1 480044487 UUWFORQIQFATPW-HNNXBMFYSA-N 271.404 3.995 30 20 CHED C=C(CNC(=O)/C(=C/c1ccccc1)OC)c1ccccc1 813622364 PVQCMGLANLWTFV-AQTBWJFISA-N 293.366 3.504 30 20 CHED C=CCC1(NC[C@@H]2CCC[C@@H](CC)C2)CCOCC1 657633653 UXGUOCNNRPSHNH-HZPDHXFCSA-N 265.441 3.918 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 481682233 GWDKZZKDECYQQN-IAQYHMDHSA-N 289.354 3.788 30 20 CHED C#C[C@H](NCc1ccc(C#N)c(C)c1)c1ccc(Cl)cc1 811516552 PEUMHWYQWXFTDG-SFHVURJKSA-N 294.785 3.984 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@H](C)c1ccc(F)cc1 488866374 WNDMJYBWQBCBMP-BBRMVZONSA-N 275.367 3.886 30 20 CHED C=C(C)CCOC(=O)c1ccc2cc(C)ccc2n1 815394334 DYJYNJLVLFDZGN-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(C#N)ccc1F 487408294 BRKSRSHGZSBDBE-CYBMUJFWSA-N 293.345 3.762 30 20 CHED N#CCCNC(=O)Nc1ccccc1Oc1cccc(F)c1 488393162 FVQUVKMYDIQQMA-UHFFFAOYSA-N 299.305 3.653 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(COC(C)C)c1 489058844 QKCGHTRXXOJNCS-UHFFFAOYSA-N 298.386 3.851 30 20 CHED c1nc(NN=C2CC[C@H]2C2CCC2)c2ccsc2n1 814767347 IDDKRSFAFBGAGH-JTQLQIEISA-N 272.377 3.669 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)C1(OC)CCOCC1 817419114 AZKCVPIRVNMVMU-HZPDHXFCSA-N 285.472 3.909 30 20 CHED Cc1cccc2c1[C@H](OC(=O)c1ccc(C#N)s1)CCO2 814029462 UOZRJZRFJYLAHG-CYBMUJFWSA-N 299.351 3.609 30 20 CHED C[C@H]1CCC(=NNCc2cccc3cccnc23)C1 814803938 RXGSFEQHAIIKMY-LBPRGKRZSA-N 253.349 3.500 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)NCC2(C#N)CC2)CC1 572938609 SLSSDVSTHACHTR-KBPBESRZSA-N 291.439 3.584 30 20 CHED CC(C)OCCON=C1CC(C)(C)c2ccccc21 812237486 CBMPHUJETDVTMK-UHFFFAOYSA-N 261.365 3.514 30 20 CHED Cl/C=C\CON=C(CC1CCCCC1)c1ncccn1 811672358 XBHDQQLKWDCDSL-LEOZJPIGSA-N 293.798 3.920 30 20 CHED N#Cc1ccc(CN(CC2CC2)C2CCC2)c(Cl)c1 483302182 IRJMHWCZFNLBSU-UHFFFAOYSA-N 274.795 3.976 30 20 CHED Cc1ccncc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 574286783 ZCEAFCCCSKQGMW-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CC(C)[C@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1F 571875709 WLGSARCILLUTMC-LRDDRELGSA-N 291.345 3.695 30 20 CHED C=CCCS[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 576902205 CSZMMBSJFHFJAK-ORVZXPRGSA-N 293.476 3.769 30 20 CHED C[C@@H](Sc1cccc(C#N)c1)c1ccc(C(=O)O)o1 827914799 GHGVITIEWLALRJ-SECBINFHSA-N 273.313 3.703 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C)c([N+](=O)[O-])c2)ccc1O 728230681 FBPOGWBMOOCDJR-FNORWQNLSA-N 297.310 3.813 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc2ccccc12 491316855 YCRRHRYOAYAQCL-KGLIPLIRSA-N 280.371 3.564 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc2c(c1)CCO2 729146127 MHZSQHQYFDJZAZ-UHFFFAOYSA-N 294.398 3.568 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(C(=O)O)cc2)no1 825664769 KNDAZXNCYMPBBB-UHFFFAOYSA-N 284.315 3.671 30 20 CHED N#Cc1ccc(/C=C2\CCc3sccc3C2=O)cc1 726893326 PVKRNTFBFPIADV-UKTHLTGXSA-N 265.337 3.832 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1cc(C#N)ccc1C 824645660 NPQLJWIEYIBKRC-OAHLLOKOSA-N 262.328 3.724 30 20 CHED Cc1nsc(Oc2ccc(OC(C)C)cc2)c1C#N 588819121 RNFHKZBMJDZSPJ-UHFFFAOYSA-N 274.345 3.903 30 20 CHED C=CCC[C@H](CCC)NC[C@@H]1CCCN(CC2CC2)C1 663467661 HBXUVJNEHCCXMN-ROUUACIJSA-N 278.484 3.833 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C(F)(F)F)ccc1NC 665105678 RJHPPUDZSNQTFM-UHFFFAOYSA-N 298.308 3.561 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Cl)cc1SC 667380217 UWAUUXGQNBMMQD-QMMMGPOBSA-N 270.785 3.758 30 20 CHED CCCCCCCn1cc(NC(=O)c2ccncc2)cn1 902280153 PNUYHOBSERWNCM-UHFFFAOYSA-N 286.379 3.501 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc(C(C)C)cc1 492889154 WVKAHDZHGVVQPF-UHFFFAOYSA-N 271.404 3.943 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC[C@H](C#N)CCC#N 581483472 OWLWAGLQVVAQCI-ZFWWWQNUSA-N 285.391 3.635 30 20 CHED C=CC[C@@H](NC(=O)N(C)C1CC(C)(C)C1)c1ccncc1 838478903 XOAAMZUAHVYJSC-OAHLLOKOSA-N 287.407 3.529 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccccc1OC(F)(F)F 903100029 GSZNWTBJPTWUNH-JTQLQIEISA-N 286.297 3.786 30 20 CHED CCCCCCCCC(=O)Nc1cc(C(=O)OC)ccn1 733992157 GRWCVSGHWKHPMQ-UHFFFAOYSA-N 292.379 3.557 30 20 CHED N#CC1(CN[C@H]2CCC[C@H]2CCc2ccccc2)CC1 584566549 ZSKOZMSGRIMAPX-IRXDYDNUSA-N 268.404 3.681 30 20 CHED CC[C@H](C)[C@H](C=NNc1nc(C(F)(F)F)cs1)OC 834963644 GAYVRKSJVSMIIH-YUMQZZPRSA-N 295.330 3.621 30 20 CHED CC(C)c1ccccc1C(=O)N1CCc2ccc(C#N)cc21 831231252 FDIURXMHPKUFHQ-UHFFFAOYSA-N 290.366 3.885 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)O[C@H](C#N)C1CCCCC1 835341237 HFFJFBBUNYIDAQ-CMPLNLGQSA-N 291.313 3.981 30 20 CHED Oc1ccccc1/C=N\CCc1ccc(F)cc1Cl 733205045 IKOWXRNXOYMWFX-ZDLGFXPLSA-N 277.726 3.846 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2cc(C)cs2)cc1 834883543 QROSCDNWSGGZHY-CQSZACIVSA-N 285.412 3.919 30 20 CHED C[C@@H](OC(=O)[C@@]1(C)CC=CCC1)c1ccc(C#N)cc1 835205532 YJPOGLHXLNNJDQ-DYVFJYSZSA-N 269.344 3.909 30 20 CHED C=CCCOCC(=O)N[C@H](CCC)c1ccc(F)cc1F 675186537 SRKDHXBRXLSRCE-OAHLLOKOSA-N 297.345 3.515 30 20 CHED CSc1cccc(NC(=O)c2cc(O)cc(C#N)c2)c1C 589197371 UKARIMVZIYEUJY-UHFFFAOYSA-N 298.367 3.547 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@H]1c1ccc(C)cc1)C(=O)O 901692836 PRXMHLZZVDIPBK-BBWFWOEESA-N 287.403 3.640 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1c(F)cccc1F 588618440 SDLHLMDFHFRKOW-HJWRWDBZSA-N 269.250 3.733 30 20 CHED C#CCC(C)(C)COC(=O)C[C@]1(C)CC1(Cl)Cl 835280758 VCFVHTQWRSRGOC-GFCCVEGCSA-N 277.191 3.553 30 20 CHED C#CCC[C@@H](C)OC(=O)CCc1c[nH]c2c(C)cccc12 839039527 QJCICPOZWQXEFS-CQSZACIVSA-N 283.371 3.754 30 20 CHED C=CCSc1nc2ccccc2n1CN(C)CC1CC1 919944579 VXPOEUVWERDADH-UHFFFAOYSA-N 287.432 3.614 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@H]1c1cccc(C)c1C 731217219 AYIQKAHKGVOWEC-GOSISDBHSA-N 290.366 3.503 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CSCCCC 914464260 AVCVLCNRSXBVHQ-UHFFFAOYSA-N 294.416 3.862 30 20 CHED C=CCN(C(=O)NC1CCCCCCC1)C(C)C 918056326 SUGPICDMLYQAAR-UHFFFAOYSA-N 252.402 3.705 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2c(F)cccc2Cl)C1 839043483 MGTLVBWYZGCDHN-MNOVXSKESA-N 295.741 3.647 30 20 CHED CCC#C[C@@H](C)Sc1nnc(Cc2cccs2)o1 677132860 VSPAPGYUKFIFHP-SNVBAGLBSA-N 278.402 3.616 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCc2cc(F)ccc2F)C1 839049020 PPBNKLOPYQYBDU-SMDDNHRTSA-N 293.313 3.523 30 20 CHED C#CCN(C(=O)Nc1ccc2c3c(cccc13)CC2)C1CC1 836249385 NQQRFKXMNYXNLQ-UHFFFAOYSA-N 290.366 3.568 30 20 CHED C=C[C@H](C)NC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 670804094 VIBVJNUUANEMMR-WCQYABFASA-N 299.336 3.965 30 20 CHED Clc1ccc(CNN=Cc2ccncc2)c(Cl)c1 914696838 RAPPPWGAQZEZHI-UHFFFAOYSA-N 280.158 3.512 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)CC1(C#N)CCCCC1 597129333 DCQZFVJNMFITMY-QGZVFWFLSA-N 298.430 3.988 30 20 CHED CCc1c(C(C)=NNc2ncccn2)oc2ccc(C)cc12 912974067 IZYWROTYBRAAIU-UHFFFAOYSA-N 294.358 3.930 30 20 CHED C[C@@H]1CCC[C@@H](C)N1C(=O)CC1(C#N)CCCCC1 597138985 VXZRIOPCRZCQOD-ZIAGYGMSSA-N 262.397 3.640 30 20 CHED Cc1cc(C#N)ccc1COC(=O)/C=C\c1cccs1 748922615 RNUSUXXHJFQZHO-SREVYHEPSA-N 283.352 3.685 30 20 CHED C=C(Cl)COC(=O)c1cc2cccc(C)c2o1 747268019 YIEDTPHCYMYMRY-UHFFFAOYSA-N 250.681 3.651 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)o1 745624860 ORRXOEAZTLFCHY-NDBYEHHHSA-N 298.390 3.894 30 20 CHED Cc1c(NN=C2CCC[C@@H](C)C2)cccc1C(=O)O 844626915 FAARSZIGJKCRKQ-SNVBAGLBSA-N 260.337 3.671 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2c2cc(C#N)cnn2)cc1 596180022 RUMBUEICSBOESA-KRWDZBQOSA-N 292.386 3.813 30 20 CHED C=C(C)CCOC(=O)c1sc(C(C)(C)C)nc1C 744300270 VHONQNFNYCUYFQ-UHFFFAOYSA-N 267.394 3.872 30 20 CHED C#CCN(Cc1sc(C)nc1C)[C@H]1CCc2ccccc21 741777371 VLLXCVRPSGAJOE-KRWDZBQOSA-N 296.439 3.883 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1(c2ccccc2C)CCCC1 594092839 VRZIPMRVCYEWTQ-HNNXBMFYSA-N 284.403 3.567 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](C)C1 670209054 MVFNXPYWRWMISQ-UONOGXRCSA-N 276.428 3.604 30 20 CHED Fc1ccc(C=NNCc2cccc3cccnc23)c(F)c1 915959197 IIXLYRNLQAZCKF-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C#CC1CCN(Cc2cnc(-c3cccs3)s2)CC1 843426973 PHIXSZMOBZBMRW-UHFFFAOYSA-N 288.441 3.717 30 20 CHED C=CCCC(=NNc1cccc([N+](=O)[O-])c1)C1CC1 747743708 GANJCRMGUXIWQX-UHFFFAOYSA-N 259.309 3.739 30 20 CHED C=C(CNC(=O)c1cccc(C)c1F)c1ccccc1 672483078 QGCLZOGWNHMNIX-UHFFFAOYSA-N 269.319 3.577 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccsc1 749103975 HCHICNBVBRJRON-UHFFFAOYSA-N 275.333 3.801 30 20 CHED C#C[C@@H](OC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)c1ccccc1 842391410 NDGPSFGMKKGAGN-IXDOHACOSA-N 298.382 3.546 30 20 CHED COC[C@H](CC(C)(C)C)N[C@@H](C)c1cccc(C#N)c1 593603745 YASYEYWLMFISOC-BBRMVZONSA-N 274.408 3.660 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CC=CCC1 594004233 YOAYFKOPTSMKKW-CRAIPNDOSA-N 296.414 3.552 30 20 CHED C#CC(C)(C)NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 742673062 NFILONWDVMLUBN-LUAWRHEFSA-N 295.304 3.637 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](C#N)CC(C)C 599271889 JMUCOMOOTNTMGE-HNNXBMFYSA-N 296.370 3.923 30 20 CHED C=CC[C@H](C)NC(=O)/C=C(\CC)c1ccc(C)cc1 741694271 GPWZMDDKLSZKMK-YEQVNJDRSA-N 257.377 3.869 30 20 CHED C[C@@H](C=NNc1ccc(CC(=O)O)cc1)C1CCCCC1 848414606 PLJOBURTKBFURA-ZDUSSCGKSA-N 288.391 3.928 30 20 CHED C[C@@H]1CCC(=NNc2ccc(CC(=O)O)cc2)[C@H](C)C1 848414893 SZHQQFUOLGVZGE-VXGBXAGGSA-N 274.364 3.538 30 20 CHED CC(C)CC/N=C(/Nc1ccccc1)N1CCCCC1 849055544 JGPDUDXBJYDTJV-UHFFFAOYSA-N 273.424 3.987 30 20 CHED CC(C)c1ccc2ncnc(N3CCC[C@](C)(C#N)C3)c2c1 596191890 BRZSOAVUXGKQAI-GOSISDBHSA-N 294.402 3.883 30 20 CHED CCc1csc(CC2CCN([C@@H](C)CCC#N)CC2)n1 594018960 ARAAMIVMFXZAKB-ZDUSSCGKSA-N 291.464 3.652 30 20 CHED C=C[C@@H](C)ONC(=O)CCCc1ccc2ccccc2c1 846549463 NTANNTKKIIAYTJ-CQSZACIVSA-N 283.371 3.785 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H]1CCN[C@H](C)C1 841985061 JIVCMORCEOIJRH-CVEARBPZSA-N 297.487 3.519 30 20 CHED C(=NNc1nncc2ccccc12)[C@H]1C[C@@H]1c1ccccc1 755491644 UTSAIEONBUYBJM-NVXWUHKLSA-N 288.354 3.831 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1ccccc1OC(F)F 926254682 NCADPBOIDZDNGE-LBPRGKRZSA-N 296.361 3.748 30 20 CHED N#Cc1cccc([C@H]2CN(CCCC3CCC3)CCO2)c1 851881899 QTHMLRVFBMSWRA-GOSISDBHSA-N 284.403 3.512 30 20 CHED C#CCCCNc1ncnc2oc(-c3ccccc3)cc12 752637445 GUAVYEMBUUFPAG-UHFFFAOYSA-N 277.327 3.715 30 20 CHED C[C@H]1CC(OC(=O)c2ccc(C#N)s2)C[C@H](C)C1 750722246 RGBSDBADMNXHNL-NXEZZACHSA-N 263.362 3.601 30 20 CHED CCOC1CCC(=NN[C@H]2CCc3c(F)cccc32)CC1 853356729 XREITYPJZCFZHZ-RUINGEJQSA-N 290.382 3.738 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCCc1ccccc1 851211979 PFFSTSFQIBIGNL-CQSZACIVSA-N 273.376 3.881 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccccc2OCC)c1 920173905 XGVBWOBSGMGLRM-UYRXBGFRSA-N 299.370 3.809 30 20 CHED C=C[C@@H](OC(=O)[C@H](C)C(F)(F)F)c1ccccc1 851452411 RYDSRHFVVOXRJU-GXSJLCMTSA-N 258.239 3.655 30 20 CHED Fc1cc(F)c(NN=CC2CC2)c(Br)c1 755747678 YPJXFSVQEMWWHG-UHFFFAOYSA-N 275.096 3.535 30 20 CHED CC(=NNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 920384416 VIGUHDKVAQUNGT-UHFFFAOYSA-N 273.267 3.570 30 20 CHED C[C@H]1CCc2sc(C(=O)O[C@@H](C)C(C)(C)C#N)cc2C1 753621034 FRXHCJBIELZXEU-QWRGUYRKSA-N 291.416 3.968 30 20 CHED N#CC1(CCCCN2CCO[C@@H](c3ccccc3)C2)CCC1 929254582 PTMGAKSYILZUGJ-GOSISDBHSA-N 298.430 3.924 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCOC(=O)C1(C#N)CCCCC1 920672971 IMDGOMLHFFGXDQ-CABCVRRESA-N 293.407 3.599 30 20 CHED COc1cc(C)sc1C(=O)O[C@@H](C)CC(C)(C)C#N 851210282 TWBZIMIBGYYOKC-VIFPVBQESA-N 281.377 3.550 30 20 CHED C=C[C@H](OC(=O)c1cnc2n1CCCCC2)c1ccccc1 857037647 RSLZZYKUFPVKGK-INIZCTEOSA-N 296.370 3.694 30 20 CHED CC(=NNc1ccccc1)c1ccc(F)cc1N(C)C 759180386 ZGXRHCXVRUJCMC-UHFFFAOYSA-N 271.339 3.728 30 20 CHED CC(CCC1CCCC1)=NNc1ncc(Cl)cn1 857223267 LKEHAHDYHYAZLQ-UHFFFAOYSA-N 266.776 3.888 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1cccnc1 754711755 AFJPGEZQKCQMQH-UHFFFAOYSA-N 280.249 3.903 30 20 CHED C#CCOC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 756234597 MVUDBENLUXSFAB-UHFFFAOYSA-N 274.316 3.653 30 20 CHED Cc1ccc2cc(C(=O)/C=C\c3cn(C)nc3C)oc2c1 754830044 OYUFCRYZOHOBAX-SREVYHEPSA-N 280.327 3.679 30 20 CHED C[C@@H](C=NNc1ncnc2sc3c(c12)CCC3)CCC#N 765995382 RRTCBSYYEQAWFI-SNVBAGLBSA-N 299.403 3.518 30 20 CHED C#C[C@H](OC(=O)CC[C@H]1CC[C@@H](C)O1)c1ccc(C)cc1 860964657 VXVKIESEKIUONK-OIISXLGYSA-N 286.371 3.560 30 20 CHED C#CCN(Cc1ccc(C)nc1)[C@@H]1CCc2ccccc21 765560334 JISGUFNRZDEBIZ-LJQANCHMSA-N 276.383 3.513 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)Nc2sccc2C#N)C1 864264123 GXVLLNCZEAVABH-GFCCVEGCSA-N 291.420 3.910 30 20 CHED C=CCN(CC=C)Cc1c(C)nn(CCCC)c1Cl 768137630 QBPUUCVUALULEW-UHFFFAOYSA-N 281.831 3.819 30 20 CHED C#CCCOc1ccc(CNCc2c(C)cccc2C)cc1 765279293 LLEKJXLQCIZSLI-UHFFFAOYSA-N 293.410 3.995 30 20 CHED C#CCCc1noc([C@@H](C)Cc2cccc(Cl)c2)n1 762009964 YNVVDXRASKCRFU-NSHDSACASA-N 274.751 3.635 30 20 CHED CCOc1ccccc1C(=O)OCCCCC(C)(C)C#N 768373078 WIATUCZJHGMXRG-UHFFFAOYSA-N 289.375 3.962 30 20 CHED C=CCCCCNC(=S)Nc1ccc(CC)cc1 769761326 XJEDOIQGHIBFLJ-UHFFFAOYSA-N 262.422 3.892 30 20 CHED Cc1cc(OC(=O)[C@H]2CCCc3sccc32)ccc1C#N 765118044 NUCFFJFHRDNUNE-HNNXBMFYSA-N 297.379 3.954 30 20 CHED N#Cc1cccc(COC(=O)c2c[nH]c3ccc(F)cc23)c1 764172830 OHUKGMFVKBMILJ-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C#Cc1cccc(N(C)C(=O)Cc2ccc(C)cc2Cl)c1 762190635 NOWHTSBNYZZTOP-UHFFFAOYSA-N 297.785 3.835 30 20 CHED CC(=NNc1cc(C)ccn1)c1csc(C(C)C)n1 768777036 WCNGAKLHAXYNJM-UHFFFAOYSA-N 274.393 3.806 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 767259181 OGZZLSAFJYETGL-LBPRGKRZSA-N 295.407 3.607 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1ccc(Cl)cc1C#N 1262099339 IPULSMBUIRIYMC-KTKRTIGZSA-N 262.740 3.897 30 20 CHED CCn1nc(C=NNc2cccc(F)c2)c2ccccc21 769780393 PAINPCJSEPYJCX-UHFFFAOYSA-N 282.322 3.641 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(F)nc2)c2ccccc21 777468013 RWKLVGVPIQDPBZ-VURMDHGXSA-N 280.302 3.609 30 20 CHED COC(=O)c1cccc(NN=C/C=C/c2ccccc2)c1 779825858 ARTUOKQIPBIYOG-ODGAGTQYSA-N 280.327 3.584 30 20 CHED CCN(CC)c1ccc(C=NOCCC(F)(F)F)cc1 777462660 GNFXFCROYQPFSX-UHFFFAOYSA-N 288.313 3.836 30 20 CHED C#CCCCCCCNc1ccc(NC(=O)OC)cc1 876822863 OOOTYUCKMIGEMJ-UHFFFAOYSA-N 274.364 3.861 30 20 CHED C[C@H](CC(=O)OCCC(C)(C)C#N)c1ccccc1 776356271 YXMNKKRLRCTSTN-CYBMUJFWSA-N 259.349 3.663 30 20 CHED C=CCOC(=O)c1csc(Cc2ccc(Cl)cc2)n1 1115845437 DJJULRFONWSEEN-UHFFFAOYSA-N 293.775 3.730 30 20 CHED CCC(=NN[C@H]1CCCCC1(C)C)c1c(C)nn(C)c1C 773126201 SAROBRFGNKYLLZ-HNNXBMFYSA-N 290.455 3.709 30 20 CHED C[C@H]1CC[C@H](C(=O)OCc2ccccc2C(C)(C)C#N)C1 776429714 WOVGZCPNFLDYRL-KBPBESRZSA-N 285.387 3.967 30 20 CHED COc1ccc2nc(NN=Cc3ccco3)c(C)cc2c1 777910394 ATRXKFJUHHGWLL-UHFFFAOYSA-N 281.315 3.591 30 20 CHED CCc1c(C)sc(NC(=O)C2(C)CC(F)(F)C2)c1C#N 875296841 DQNHHANSYWOEEU-UHFFFAOYSA-N 298.358 3.865 30 20 CHED C(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1cc2ccccc2o1 774593254 LSYSYAHKWSQUKA-HUBLWGQQSA-N 254.333 3.545 30 20 CHED Brc1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)s1 774592416 DCFMVXJJCXRCJK-QXEWZRGKSA-N 299.237 3.623 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1cccc(-c2nc(C)co2)c1 878925812 ZACZUMMMUZEHHQ-QGZVFWFLSA-N 297.358 3.573 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(OCC)c(OC)c1 878016834 YJFXWLYQOQEUBF-UHFFFAOYSA-N 277.364 3.635 30 20 CHED CCCCCCCCN[C@@H](CC)c1cnn(C)c1 772947891 DBGXGPQSEYOVEI-HNNXBMFYSA-N 251.418 3.821 30 20 CHED COc1cc(C)c([C@@H](C)NCC(C)(C)C#N)cc1C 877322679 BEAIVOUHJGHRDR-CYBMUJFWSA-N 260.381 3.512 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(Cl)cc1OC 776075483 SJPAMQOQDHAAGW-UHFFFAOYSA-N 280.755 3.555 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(Br)cc1SC 775183547 OGBMSRRSXMKALU-SNVBAGLBSA-N 298.249 3.625 30 20 CHED C#CCOc1ccccc1NCc1ccc(C)c(F)c1 775365418 SJMHMEAOEZXTRY-UHFFFAOYSA-N 269.319 3.758 30 20 CHED C=CCN(C(=S)Nc1ccc(F)c(Cl)c1)C1CC1 771549900 XBHKSJBIJWRVJZ-UHFFFAOYSA-N 284.787 3.826 30 20 CHED Cc1[nH]c2ccccc2c1C=NOCCC(F)(F)F 777459579 JKBZAPUAEKVJSC-UHFFFAOYSA-N 270.254 3.779 30 20 CHED C[C@H](Nc1ccc2c(c1)CCO2)c1ccc(C#N)c(F)c1 777036774 ITZBBDAYDRJONN-NSHDSACASA-N 282.318 3.805 30 20 CHED COc1cccc(CNc2ccc(OC(C)C)c(C#N)c2)c1 771885017 KFVCPWUEYNKFFN-UHFFFAOYSA-N 296.370 3.966 30 20 CHED CCn1ccnc1SCc1ccc(Cl)cc1C#N 775172527 CMWXSXKAYHPTNQ-UHFFFAOYSA-N 277.780 3.720 30 20 CHED C=CCCCCCCCNC(=O)/C=C\c1nccs1 1123828601 PJOJJLJWTZRZJH-KTKRTIGZSA-N 278.421 3.799 30 20 CHED C=CC(C)(C)CC(=O)N1CCC2(CCSCC2)CC1 881104606 XNBRHPSAMNUUKT-UHFFFAOYSA-N 281.465 3.725 30 20 CHED N#C[C@H](OC(=O)c1cc2ccccn2c1)C1CCCCC1 785998832 OHVLJNZUONDUPF-INIZCTEOSA-N 282.343 3.569 30 20 CHED CC1(C)CCC[C@@H](C=NN[C@@H](CO)c2ccccc2)C1 788467845 GBPBQORRRDVANM-ZBFHGGJFSA-N 274.408 3.512 30 20 CHED C[C@@H](OC(=O)[C@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 885667486 KUYIRUQQMWZJMD-CJNGLKHVSA-N 299.370 3.512 30 20 CHED CN(CCNc1ccc(Cl)cc1C#N)Cc1ccccc1 386726266 AFYYTEPZVMOQTB-UHFFFAOYSA-N 299.805 3.756 30 20 CHED CC(Cc1ccccc1F)=NNc1cc(Cl)ccn1 780243278 OUTXMLODBJWQIJ-UHFFFAOYSA-N 277.730 3.905 30 20 CHED C=CC1CCN(Cc2cnc(C(C)C)s2)CC1 93359165 DKNRLFVFAOFDTR-UHFFFAOYSA-N 250.411 3.665 30 20 CHED COC(=O)c1cc(C)cc(NC2CCC(C)(C#N)CC2)c1 897087419 NCEJAZABKPDIEA-UHFFFAOYSA-N 286.375 3.666 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1ccc(F)cc1F 899342558 ZOVKUDBSNUYXMO-DAXSKMNVSA-N 288.297 3.782 30 20 CHED CCC(=NOC[C@H]1CCOC1)c1cc(Cl)ccc1OC 788030856 QZNIMJMTVVXHHN-NSHDSACASA-N 297.782 3.516 30 20 CHED CCCCCCCC(=O)O[C@H]1CCc2cccnc21 789684634 YPHMEPLQPXIANA-AWEZNQCLSA-N 261.365 3.973 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]([C@@H](C)CC)C(F)(F)F 890265560 RKKFAJOFASSKJH-GXSJLCMTSA-N 265.319 3.682 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cc1F)c1ccncc1 1132460559 QEJCLTCKXPBGMK-UHFFFAOYSA-N 297.333 3.539 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 785851155 JKLMOXBWKAIFLY-QIENPNARSA-N 275.779 3.920 30 20 CHED CC(C)c1ccc([C@@H](C)OC(=O)c2c[nH]c(C#N)c2)cc1 783454032 OCBLRAKZZFBKPC-GFCCVEGCSA-N 282.343 3.928 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1ccccc1Cl 80117074 OKSKGKZGMMHXDU-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CN(Cc1ccc(O)cc1)c1ccc(Cl)cc1C#N 302668535 QSLREPXGHDLYGL-UHFFFAOYSA-N 272.735 3.554 30 20 CHED Fc1cc(F)c(NN=C2CCC23CCC3)cc1F 799881136 ZGFWPBVWELOAHE-UHFFFAOYSA-N 254.255 3.836 30 20 CHED COc1c(C)cc([C@@H](C)NCCCC#N)cc1Cl 796931522 DMENGMLVKJPSIY-LLVKDONJSA-N 266.772 3.611 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 185473133 RBXBBBOSVWREEK-UHFFFAOYSA-N 274.147 3.994 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 795751819 SZNLJTGKVUBXTO-BRWVUGGUSA-N 290.451 3.991 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc3cccc(C)n23)oc1C 799897666 RUJDVWSXTPBEPK-FPLPWBNLSA-N 280.327 3.749 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(CC#N)cc1 55351759 PGWRWZUMJCCHDC-AWEZNQCLSA-N 258.365 3.908 30 20 CHED N#CC1(N(C(=O)CCCc2ccsc2)C2CC2)CCC1 791002566 IXIUNJNUVIIREV-UHFFFAOYSA-N 288.416 3.508 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Oc2cccc(F)c2)cc1 792868980 YIWNINLCZQSGLB-UHFFFAOYSA-N 283.302 3.846 30 20 CHED CCC(=NNCCC(F)(F)F)c1cccc(C)c1 794934908 BNFVTHVWHCHPPO-UHFFFAOYSA-N 258.287 3.651 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CCCCCC 798048976 APOGOWAGCZVTBN-JYJNAYRXSA-N 296.455 3.626 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC=C(c2ccc(C)cc2)CC1 794627177 MKGLPHMTCKHGHL-GOSISDBHSA-N 282.387 3.551 30 20 CHED C[C@H](OC(=O)c1occ2c1CCC2)c1ccc(C#N)cc1 797098763 GJOGEAZMSFGSRP-NSHDSACASA-N 281.311 3.558 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1C#N 799495350 NBFQSBNEBKMUNO-OQFOIZHKSA-N 281.286 3.602 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCc3c(Cl)cccc32)o1 796150763 JFBHYVFHVHOWCO-ZDUSSCGKSA-N 287.702 3.649 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2ccc(C#N)o2)cc1 796883562 QSPRQPVETMEBGL-JKSUJKDBSA-N 295.338 3.953 30 20 CHED C=C(Cl)COC(=O)Cc1cccc(Cl)c1OCC 791505054 VBMOLHIUGQLTKG-UHFFFAOYSA-N 289.158 3.577 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1ccc(F)cc1F 794933873 MJTGLPFDNOHATM-GQCTYLIASA-N 276.286 3.638 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NN[C@H](C)C(C)(C)C 793115877 PUMKCJVRLKAETA-OAHLLOKOSA-N 298.434 3.847 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1occc1C(C)C 790865802 KTBASYSFXOAFFZ-UHFFFAOYSA-N 283.327 3.940 30 20 CHED C=CC[C@H](CC)NC(=S)N[C@H](C)c1ccccc1 798376031 RKEITKIATGHMRH-OCCSQVGLSA-N 262.422 3.566 30 20 CHED CCC(CC)(CN[C@@H](C)CC(C)(C)C#N)SC 695866451 YZRAVNBSYPGSQJ-LBPRGKRZSA-N 256.459 3.826 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191923 DJLPNABIRFYBSV-SECBINFHSA-N 284.281 3.808 30 20 CHED CC[C@H]1CCC[C@@H]1Nc1ncc(Cl)c(C)c1C#N 1307068685 JJBIKELCNBRXLW-GWCFXTLKSA-N 263.772 3.906 30 20 CHED CCN(CCC#N)C[C@H](C)CSc1ccccc1C 1167559186 YUPGNSUADXLYPG-AWEZNQCLSA-N 276.449 3.959 30 20 CHED C=C(Cl)CN1CCCC[C@H]1CCC(=O)OC(C)(C)C 1307866147 VCIILXPUENZNQO-ZDUSSCGKSA-N 287.831 3.715 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc([S@](C)=O)cc1 1319077842 LLLVXDSSBPKRSK-XOBRGWDASA-N 294.464 3.706 30 20 CHED CC(C)n1cc([C@@H](C)Nc2ccc(OCC#N)cc2)cn1 1319855643 ARKLOMHPXDWTGQ-CYBMUJFWSA-N 284.363 3.539 30 20 CHED C=C[C@H](COC)NCCCc1c(Cl)cccc1Cl 1321260565 SFCABTIPWPJHDC-LLVKDONJSA-N 288.218 3.717 30 20 CHED C[C@@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)CC1 1655382956 YRRLMKKYIYPAMV-ZYHUDNBSSA-N 263.772 3.987 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(OCCCC)cc1 1321715390 VQPMHAGQRFXOGW-GDBMZVCRSA-N 277.408 3.717 30 20 CHED CSC1(C=NNc2ccc(C)c(Cl)c2)CC1 1327102025 LTTUPZVKXIQBAO-UHFFFAOYSA-N 254.786 3.942 30 20 CHED Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[C@H](C#N)C1 1331893791 GUBKOYBUBKXLCZ-RQJABVFESA-N 270.376 3.531 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(c2ccccc2C#N)C2CCC2)C1 1331467548 AIIUHBRPVYVONL-KGLIPLIRSA-N 282.387 3.880 30 20 CHED C=CCCSCCNCc1nc2c(s1)C[C@H](C)CC2 1333313763 YFCBAIKBOILBMR-GFCCVEGCSA-N 296.505 3.667 30 20 CHED Cc1ccc(F)cc1[C@@H](C)OC(=O)C1(C#N)CCCC1 1266910862 TVXWYSSQFYMZHS-GFCCVEGCSA-N 275.323 3.822 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)CCCCOC)c1cccs1 1263525032 YKDSFQANJLVBQC-SWLSCSKDSA-N 295.404 3.699 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 1349908403 ZNAXGPVRJSEOJI-GRYCIOLGSA-N 290.329 3.506 30 20 CHED CN(C)c1ncccc1/C=C1\Cc2ccc(Cl)cc2C1=O 1342256481 ZRAFUERBDOAOOT-UKTHLTGXSA-N 298.773 3.623 30 20 CHED CC[C@H](F)C(=O)Nc1ccccc1SC[C@H](C)C#N 1353574083 RMAQCWOXJQBAAF-MNOVXSKESA-N 280.368 3.625 30 20 CHED Cc1csc(NC(=O)c2cccc(Cl)c2O)c1C#N 1436194422 ZOYAJZDQGGSJHE-UHFFFAOYSA-N 292.747 3.540 30 20 CHED CCc1c(C(=O)Nc2cccc(C#N)n2)oc2ccccc12 1277174323 FWRCCBZQFONCFS-UHFFFAOYSA-N 291.310 3.514 30 20 CHED N#CC1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 104972058 QDCGALBWVKXDSV-UHFFFAOYSA-N 298.173 3.761 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC[C@H]1CCCC[C@@H]1C 1360500721 QDAHORRWBZNRHV-DZGCQCFKSA-N 284.403 3.813 30 20 CHED C=CC(C)(C)COC(=O)c1csc(-c2ccco2)n1 1525403224 CULVRKGMSSVVDV-UHFFFAOYSA-N 277.345 3.772 30 20 CHED CC[C@H]1CCC[C@H]1CNCc1ccc(C#N)c(F)c1 1462275455 YWVZLRZEZQZPSS-ZFWWWQNUSA-N 260.356 3.613 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1ccc(CC#N)cc1 1537111062 DXVBFJULYVQVGV-QGZVFWFLSA-N 284.403 3.793 30 20 CHED Cc1ccnc(N[C@@H]2CCC[C@H](C(C)C)C2)c1C#N 1472689181 VZSYDEHUFXBTRC-UONOGXRCSA-N 257.381 3.888 30 20 CHED N#Cc1cc(F)ccc1NCCCOc1ccccc1 113317650 AKWAOFHTRORICP-UHFFFAOYSA-N 270.307 3.578 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1C#N 1617556569 JJJDACVULIYDFR-GWCFXTLKSA-N 276.767 3.976 30 20 CHED COc1cc(C#N)ccc1CSCC1CCCC1 1615042879 LXLXCUUVEFBXBS-UHFFFAOYSA-N 261.390 3.990 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1=CCC(C)(C)CC1 1616435435 XQIUXCFGFOGQEW-UHFFFAOYSA-N 276.424 3.911 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2F)c1 1544313003 INCCKKRLXSVJCI-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CCCC[C@H]1C 1616421834 PNAISKOHAUUPTP-ZBFHGGJFSA-N 278.440 3.991 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1625460902 VVDRYLAQKSVUJC-OAHLLOKOSA-N 297.333 3.970 30 20 CHED CC[C@@H](C)CCNc1ncc(C#N)cc1Br 1559231715 FAYKUYHCDWGGHK-SECBINFHSA-N 282.185 3.564 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1 1559183017 FAFQKFJKDDETBR-UKRRQHHQSA-N 296.349 3.544 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc(C(F)F)cc1 1558615123 SXURRXIUJPTFDG-UHFFFAOYSA-N 286.281 3.943 30 20 CHED CCc1ccc(C(C)(C)NCC2(CC#N)CC2)cc1 1642482260 UTTYALDENDETRB-UHFFFAOYSA-N 256.393 3.768 30 20 CHED CC[C@H](C)[C@H](Sc1ccc(C#N)c(C)c1)C(=O)OC 1644029730 VIJRTXDAHPAEJY-HZMBPMFUSA-N 277.389 3.547 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1CCc1ccc(C#N)cc1 1644756153 LQYGCCDQCGXZEW-OXJNMPFZSA-N 290.410 3.979 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCCc1ccc(C#N)cc1 1642808495 PTNLMIPYRMKTOA-SJORKVTESA-N 256.393 3.659 30 20 CHED CC(C)(C)C[C@H]1CCN(c2ncccc2C#N)C1(C)C 1652042012 VRHUYTSRZLNVLJ-CQSZACIVSA-N 271.408 3.994 30 20 CHED N#CC1(CCN2CCc3ccccc3CC2)CCCCC1 1653391316 CKRMZDFDDUCZQQ-UHFFFAOYSA-N 282.431 3.951 30 20 CHED Cc1nc(N[C@H](Cc2ccccc2)C(C)C)ccc1C#N 1651411618 FGEATWGRNPKWOD-QGZVFWFLSA-N 279.387 3.941 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCc2ccccc2C1 1651693155 ZZFAQJNPVLEQSJ-CYBMUJFWSA-N 280.346 3.914 30 20 CHED COc1ccc2ncc(C#N)c(OCC3CC(C)C3)c2c1 1652933561 XRLRNFRDAXQPAS-UHFFFAOYSA-N 282.343 3.540 30 20 CHED CC(C)(C)[C@@H](Sc1cccc(Cl)c1C#N)C(=O)O 1589722857 ONVWWAFYCKNRTA-NSHDSACASA-N 283.780 3.803 30 20 CHED C=CCC[C@H]1CCC(=NNc2ccccc2C(=O)O)C1 1776031867 ATMCLYSHQJGKBK-LBPRGKRZSA-N 272.348 3.919 30 20 CHED N#Cc1cccc(OCCCSCc2nccs2)c1 161709442 FHTYUZUKAQWMNT-UHFFFAOYSA-N 290.413 3.717 30 20 CHED C=C(C)CSCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 155056180 DEBXUGYMMIREMT-LLVKDONJSA-N 299.386 3.794 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(CC(C)C)c1CC 157347709 UBVROXYMWNKULU-UHFFFAOYSA-N 289.423 3.808 30 20 CHED N#Cc1ccc([C@H](O)C2CCCC2)cc1C(F)(F)F 725326634 IYXYQMDYJYAXNT-CYBMUJFWSA-N 269.266 3.801 30 20 CHED C[C@H](CSC(C)(C)C)NCc1ccc(C#N)c(F)c1 825232496 ZMNSFTZOKNKGBA-LLVKDONJSA-N 280.412 3.707 30 20 CHED COc1ccc(CNc2ccc(C#N)c(Cl)c2)c(O)c1 40906100 RLSVMDKAZZAXJB-UHFFFAOYSA-N 288.734 3.538 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc(F)c(Cl)cc1Cl 264114117 VZCLJQLRPABTRW-ZETCQYMHSA-N 289.137 3.507 30 20 CHED CC1(CNC(=O)C2(C#N)CCCC2)CCCCCC1 180043941 HLPGSOUQSISWLM-UHFFFAOYSA-N 262.397 3.547 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2[nH]ccc2c1 293913296 AOIQJCDWYORPBT-UHFFFAOYSA-N 256.349 3.500 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)CCO1 70349850 CCTMGSLXYVEWLQ-ZFWWWQNUSA-N 278.783 3.827 30 20 CHED CCc1nc(C#N)cc(Oc2ccc(Cl)c(C)c2)n1 308278739 LNGOLJNJNNCONB-UHFFFAOYSA-N 273.723 3.665 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 309652022 ALFASIOTPQFGIZ-HNNXBMFYSA-N 294.354 3.754 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1oc2ccccc2c1C 320630040 KFCDODLXHIPSGA-UONOGXRCSA-N 273.376 3.719 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 378847412 TXYJAVNMRCWVGB-HOTGVXAUSA-N 254.377 3.569 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1cc(F)cc(C#N)c1 720262396 VODIDQOUSOGNDF-GFCCVEGCSA-N 262.328 3.852 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2ccccc2F)cc1 7586613 VUSIYYWQONYQPP-FMIVXFBMSA-N 269.319 3.788 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H](C)c1ccccc1 103440718 AIVYBBODZNEKDD-MRXNPFEDSA-N 286.419 3.969 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc(C)cc2C)CC1 177910447 XEAOYAOYWJBTBF-INIZCTEOSA-N 272.436 3.604 30 20 CHED N#CCSCCCNC1(c2cccc(Cl)c2)CC1 179679253 WEWWBPMLCAYCBY-UHFFFAOYSA-N 280.824 3.566 30 20 CHED Cc1c(NC(=O)c2ccccc2)cccc1N[C@H](C)C#N 55155313 BNNKTWAWSJFZHH-GFCCVEGCSA-N 279.343 3.571 30 20 CHED CC(=O)Nc1c(C)ccc(NCc2ccc(C#N)cc2)c1C 54178147 FDFPJTPOURLNCE-UHFFFAOYSA-N 293.370 3.746 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)c1 106577675 SDJBYEIJXBTMOC-QGZVFWFLSA-N 294.329 3.616 30 20 CHED CCCCCCCC(=O)Nc1ccsc1C(=O)OC 102608516 WBZMVQKAWGHVDM-UHFFFAOYSA-N 283.393 3.834 30 20 CHED C[C@@H](CC(=O)[C@@H](C#N)c1ccccn1)C1CCCCC1 102118808 YMTZJEZVFRCRRF-ZFWWWQNUSA-N 270.376 3.864 30 20 CHED C=C(Br)CN(CCC)Cc1ccccc1 57752748 VHGRBWBHIDZTOG-UHFFFAOYSA-N 268.198 3.807 30 20 CHED C=CCCC(=O)Nc1cccc(NC2CCCC2)c1 117978166 LRXSQOVUBHJPRT-UHFFFAOYSA-N 258.365 3.946 30 20 CHED C#CCCCNC(=O)Nc1ccccc1SC(F)F 174627403 WEUIAMPFGKMEJX-UHFFFAOYSA-N 284.331 3.536 30 20 CHED CCN(Cc1cccc(O)c1)[C@@H](C)c1ccc(C#N)cc1 119873535 MNJVBCMVHKVXMB-AWEZNQCLSA-N 280.371 3.847 30 20 CHED C#CCCCCC(=O)NCc1c(OC)ccc2ccccc12 119554211 CQCIGXLOHOWSIH-UHFFFAOYSA-N 295.382 3.658 30 20 CHED N#CCCN(Cc1cc2ccccc2o1)CC1CC1 178538612 RJGUBJFAYOCQIT-UHFFFAOYSA-N 254.333 3.558 30 20 CHED CCO[C@@H]1C[C@@H](/N=C/c2ccccc2O)C12CCCC2 173992592 GQDCXPORTPEZTD-SUBKYJBBSA-N 273.376 3.549 30 20 CHED N#Cc1cccc(CNCCc2nc3ccccc3s2)c1 20128080 LIRFJJODUPQIAR-UHFFFAOYSA-N 293.395 3.500 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1ccc(C#N)nc1 302520419 AYGICCYJSPVWGS-OAHLLOKOSA-N 281.359 3.980 30 20 CHED CC(C)c1noc([C@@H](C)O/N=C(\N)C2CCCCCC2)n1 179005353 QKZXJHCOSWOPJF-LLVKDONJSA-N 294.399 3.513 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C[C@@H]2C=CCC2)cc1 63496553 OTGDWQPQKJPKJV-OAHLLOKOSA-N 268.360 3.598 30 20 CHED N#CCC1(COC(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC1 174730423 YFIQWZGSHAENRE-VQIMIIECSA-N 295.382 3.518 30 20 CHED C=CC[C@@H](C)NC(=O)CCCCc1ccc(C)cc1 116855456 NXOLHLGAQHNISB-OAHLLOKOSA-N 259.393 3.789 30 20 CHED CC(C)c1cnc(NC(=O)/C=C/c2ccccc2C#N)s1 172675724 GNBQIIXTUWDKAQ-BQYQJAHWSA-N 297.383 3.790 30 20 CHED C=C(Br)CSc1ncnc2ccsc12 60428545 RBTWEKZUFJLOMH-UHFFFAOYSA-N 287.207 3.692 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C2/Cc3ccccc3C2=O)cc1 171113970 XSFNXXOLFZYUIW-ATTDUZETSA-N 289.334 3.800 30 20 CHED CC[C@H](CNCC(C)(C)CCC#N)Oc1ccccc1F 176990328 YWRZAOZUQOMJFD-CQSZACIVSA-N 292.398 3.903 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H]1CC[C@@H](C)C1 121536307 MISLMFBJXCTAJT-KGLIPLIRSA-N 264.413 3.791 30 20 CHED Cc1nc(C)c(C(=O)O[C@H](C)c2ccc(C#N)cc2)s1 175790607 UJAVIEGKNNJJEF-SNVBAGLBSA-N 286.356 3.550 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(C#N)nc2)C1 301551881 YOMKNZSOGIGZFD-GJZGRUSLSA-N 277.371 3.644 30 20 CHED COc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)c(OC)c1 303316079 SECHELKXQKLATQ-GDNBJRDFSA-N 294.350 3.835 30 20 CHED CC(C)(C)Oc1ccc(CNc2cccc(F)c2C#N)cn1 302014901 BRQKFYZNDBHSJI-UHFFFAOYSA-N 299.349 3.882 30 20 CHED C=CCCSc1nnc2cc(C)c3ccc(OC)cc3n12 303831058 QXUVTULRABYJTA-UHFFFAOYSA-N 299.399 3.868 30 20 CHED CCCCCc1ccc(NC(=O)CSCC#N)cc1 32698579 XTDOYDCROCPWKO-UHFFFAOYSA-N 276.405 3.615 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc(Cl)ccc1Cl 233357680 LBODRRSCLCPVBM-SNVBAGLBSA-N 270.159 3.525 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cccc(C(F)(F)F)c2)C1 185757296 QCMWYVBHDXIUOQ-BXUZGUMPSA-N 282.309 3.877 30 20 CHED CC[C@H](CC#N)OC(=O)c1cnc(-c2ccccc2)s1 188109231 SAJZCLMSJCLMPW-GFCCVEGCSA-N 286.356 3.659 30 20 CHED C=C(C)CCc1noc(Cc2ccccc2OC(C)C)n1 508609142 OJDKEZLQDFVUPV-UHFFFAOYSA-N 286.375 3.956 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 181001800 SPXYNZZVWOSSNL-MRXNPFEDSA-N 290.382 3.884 30 20 CHED N#Cc1ccc(OC(F)F)c(NC(=O)C2CCCCC2)c1 76194684 NKLAIAOUSUCSHW-UHFFFAOYSA-N 294.301 3.678 30 20 CHED C[C@H](OCCCNc1ncc(C#N)cc1F)c1ccccc1 413032783 KYUBWOMRTHNGDH-ZDUSSCGKSA-N 299.349 3.672 30 20 CHED CCC(=O)Nc1ccc(NCc2ccc(C#N)cc2)cc1 37068256 NEOLSZZGPNLJGU-UHFFFAOYSA-N 279.343 3.519 30 20 CHED N#CCCCC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 412600603 JCTSKYRLESYGNS-ZFWWWQNUSA-N 290.794 3.786 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 184936913 HULCQFPNDHKXEQ-QWHCGFSZSA-N 293.357 3.883 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(F)c2)cc1F 71802174 BQHXZOUUUMZAPS-FNORWQNLSA-N 274.266 3.870 30 20 CHED CCOc1ccc(NCc2ccc(C#N)cc2)cc1OC 35046389 WABKAYUEGUNTHS-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C=CCN(C(=O)CC1CCC(OC)CC1)c1ccccc1 121404308 JPXYSOSWMQQHGB-UHFFFAOYSA-N 287.403 3.801 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(C)cc(F)c2)s1 74721822 GSQNQIDRDWVLAE-UHFFFAOYSA-N 288.347 3.882 30 20 CHED Cc1cc(Cl)ncc1NCc1cc(C#N)cs1 186052311 ITVKALAOYLWBQD-UHFFFAOYSA-N 263.753 3.589 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)c2nccs2)c1C#N 413490073 UVRCIFWXHVYVKI-QMMMGPOBSA-N 278.768 3.545 30 20 CHED C[C@H]1C[C@@H](CC(=O)N(CCC#N)CC2CC2)CC(C)(C)C1 505214149 WXJUKEMUSIMJJY-HOCLYGCPSA-N 290.451 3.991 30 20 CHED FC(F)(F)c1ccc(C#CCN[C@H]2CCC23CCC3)cc1 502450083 BAYMEKREULBUAL-HNNXBMFYSA-N 293.332 3.979 30 20 CHED CC[C@H](C(=O)Nc1cccc(C#N)c1)c1ccc(OC)cc1 183446079 RJJUGUKNNFARFZ-KRWDZBQOSA-N 294.354 3.699 30 20 CHED C[C@@H]1CCN(Cc2ccc(F)cc2C#N)C[C@@H](C)C1 443648854 GRWATGVUJSCYLM-OLZOCXBDSA-N 260.356 3.565 30 20 CHED C[C@H](NC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C)c1ccc(C#N)cc1 500846104 NVPJUJVEWKWWPY-FHIRATQRSA-N 299.418 3.743 30 20 CHED C[C@H]1C[C@@]1(NCc1ccc(C#N)o1)c1ccc(Cl)cc1 500414209 GIOLKVRQXDAUAO-ZBEGNZNMSA-N 286.762 3.830 30 20 CHED Cc1ccc(F)c(NCC#Cc2ccc(F)cc2)c1 506268877 KVOHTAMTVHPYGV-UHFFFAOYSA-N 257.283 3.737 30 20 CHED CCc1ccccc1CC(=O)N(CCC#N)C(C)(C)CC 189919436 KUZPAFVQJGLRPL-UHFFFAOYSA-N 286.419 3.722 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC1(C#N)CCC1 419631398 VEMCCUSNAOQCKX-INIZCTEOSA-N 299.418 3.719 30 20 CHED Oc1ccc2ccccc2c1/C=N/CC[C@H]1CCCCO1 182202881 FORRVOUWMQKNMN-DQPIFXJKSA-N 283.371 3.924 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cccc(C(F)F)c1 410119426 DIKNCOJGCHILCX-CYBMUJFWSA-N 267.319 3.638 30 20 CHED CCCC[C@H](CC)/C(O)=N/S(=O)(=O)c1cccs1 48427110 BLLXVNMKMYIERB-JTQLQIEISA-N 289.422 3.610 30 20 CHED C[C@@H]1CC(Nc2ccc(C(F)(F)F)c(C#N)c2)C[C@@H](C)O1 184128756 GMBXFEHKCORSIA-NXEZZACHSA-N 298.308 3.945 30 20 CHED CCC(=O)c1cccc(NC(=O)C2(C#N)CCCCC2)c1 131968064 AWJQTSCYQBSERD-UHFFFAOYSA-N 284.359 3.692 30 20 CHED C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H](C)S1 135255998 QQJLMKRDCKNVCP-OKILXGFUSA-N 288.460 3.814 30 20 CHED N#Cc1nnc2ccccc2c1NCc1cc2ccccc2[nH]1 77213827 AKYZNFQAKYDTKT-UHFFFAOYSA-N 299.337 3.595 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccnc(OC3CCCC3)c2)C1 185777278 XRHZMBMBUGLKDY-ZBFHGGJFSA-N 299.418 3.575 30 20 CHED C=CCC[C@H](CC)NCC[C@](C)(O)c1ccccc1 187924464 XWFAHXPWYXJRIN-IRXDYDNUSA-N 261.409 3.619 30 20 CHED C[C@@H]1C[C@@H](NC(=O)C(C)(C)C#N)C[C@H](c2ccccc2)C1 412683574 XFTFLBPSTHAFFR-NUEKZKHPSA-N 284.403 3.625 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H]2CCC[C@H]2C)c1 503053194 UOLXPMMBLFAFOG-CZUORRHYSA-N 288.391 3.952 30 20 CHED C[C@@H](SCCC#N)c1ccc(OC(F)F)cc1 413011665 JLBQVDUDSXLDMA-SECBINFHSA-N 257.305 3.996 30 20 CHED C[C@H]1CC[C@@H](Nc2ccc(C#N)c(Br)c2)C1 228197052 MNAAZZPODHXTQD-GXSJLCMTSA-N 279.181 3.921 30 20 CHED CC(C)(C#N)CCOc1ccc2c(c1)CCCC2=O 87592220 GBZYBAXJPNFWSQ-UHFFFAOYSA-N 257.333 3.524 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C(/O)CCc1nc2ccccc2o1 328823581 PMEHWDSBEBPZBJ-NEPJUHHUSA-N 272.348 3.906 30 20 CHED CC(C)CC1(C/N=C(/O)[C@@H](C)c2cncnc2)CCC1 329217589 QKSZQUCTXIARRD-ZDUSSCGKSA-N 275.396 3.753 30 20 CHED CC(C)(C)[C@@H](NCc1ccc(C#N)cn1)c1ccccc1 515581100 FUMBNHYHUMXDJZ-KRWDZBQOSA-N 279.387 3.830 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[C@H]1C 424610960 CNYMIGLFWWSLKN-QAPCUYQASA-N 296.414 3.899 30 20 CHED C[C@@H]1CCCN1c1nc2c(cc1C#N)CCCC2(C)C 428134289 JSCZSZQCBXOPSN-GFCCVEGCSA-N 269.392 3.556 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(Cc2ccc(F)cc2)CC1 424767184 QQLFZEILANZRFE-UHFFFAOYSA-N 289.394 3.867 30 20 CHED N#C[C@H](NC(=O)c1cc2ccccc2o1)C1CCCCC1 40360061 CHIULDQEAGBLBS-AWEZNQCLSA-N 282.343 3.635 30 20 CHED Cc1c(C#N)cccc1-c1nc(CCC(C)C)no1 511207854 PNKNQMRZCTVVLX-UHFFFAOYSA-N 255.321 3.505 30 20 CHED N#CCCCOC(=O)c1cccc2c3c([nH]c12)CCCC3 192653081 VISKWJFZNFZUKR-UHFFFAOYSA-N 282.343 3.507 30 20 CHED C[C@H]1CN(C)c2ccccc2CN1CCCC(C)(C)C#N 83248542 BTWUIRFJEGZKDX-HNNXBMFYSA-N 285.435 3.657 30 20 CHED Cc1cc(-c2noc(CSCCCC#N)n2)ccc1F 190979534 GUIXMPRCAZMEMM-UHFFFAOYSA-N 291.351 3.721 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@@H](F)C1 335128441 CJLIPJKTXQBSEB-DGCLKSJQSA-N 294.757 3.873 30 20 CHED C=C(Cl)CNc1cc(C)cc(Br)c1 232067835 YMXXXNDPQKTJSK-UHFFFAOYSA-N 260.562 3.922 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCCC2(C)C)c1 429054440 PQXOPGOYMRLGNK-HNNXBMFYSA-N 288.391 3.952 30 20 CHED CCCCCCCCC(=O)NCc1nccn1C(F)F 195014575 YPLPPAJOWKDPLR-UHFFFAOYSA-N 287.354 3.645 30 20 CHED OC(C[C@H]1CCOC1)=Nc1nc2c(Cl)cccc2s1 330152330 WQUQKJAWFSBAIQ-MRVPVSSYSA-N 296.779 3.964 30 20 CHED C[C@H](c1cccs1)N(C)c1ncc2c(c1C#N)CCC2 425208462 OVRKWDDVVXHTQC-LLVKDONJSA-N 283.400 3.701 30 20 CHED N#CCCCCN[C@@H](CC(F)F)c1ccccc1 420998625 UCJDHPCVZSPBIG-ZDUSSCGKSA-N 252.308 3.666 30 20 CHED CC(C)(C#N)C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 334752361 UIPKIJRNWQPCMR-JSGCOSHPSA-N 290.794 3.642 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(O)c1 93872413 AJJCYXNRMUWNBX-RBUKOAKNSA-N 292.382 3.664 30 20 CHED COc1cccc([C@@H](C)/N=C(/O)N[C@H]2CC[C@H](C)CC2)c1 330712352 VVCDFAVCNRUKNA-UMVBOHGHSA-N 290.407 3.839 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)c1ccc(F)c(F)c1)OCC 339420693 WREQUAWKQVSTFW-OAHLLOKOSA-N 297.345 3.689 30 20 CHED Cc1noc([C@H](C)/N=C(/O)Nc2ccccc2C(C)C)n1 330425153 IEPZDJWTTNVYBM-JTQLQIEISA-N 288.351 3.589 30 20 CHED CCC(CC)(CCO)CNc1ccc2cc(C#N)ccc2n1 92918665 MIYVZBPUZVCFEV-UHFFFAOYSA-N 297.402 3.707 30 20 CHED C=CCCC(=O)N1CC=C(c2ccccc2Cl)CC1 92029905 BXMFCDKWLJBEBK-UHFFFAOYSA-N 275.779 3.922 30 20 CHED CCCCC1CCC(NC(=O)c2cc(C#N)oc2C)CC1 436124920 OJNVUTYGVJTIIW-UHFFFAOYSA-N 288.391 3.939 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(C)c1F 439386380 XACVYQRBUPCZRP-NSHDSACASA-N 250.317 3.610 30 20 CHED N#Cc1nn(Cc2cccc(OC(F)F)c2)c2ccccc12 432485357 KJSCQBCPMQTMQZ-UHFFFAOYSA-N 299.280 3.558 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 528784759 PYAOSLKOSXFBRK-STQMWFEESA-N 264.413 3.647 30 20 CHED Clc1ccc(C#CCN2[C@H]3CCC[C@H]2CC3)cc1 437591596 PEVHGEJYYFJIAS-HOTGVXAUSA-N 259.780 3.708 30 20 CHED C=CC1CCN(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)CC1 521379072 AZDKIWNDDLZNGW-IUODEOHRSA-N 288.391 3.511 30 20 CHED N#Cc1cccc(Cl)c1N1CCCc2occc2C1 341082483 PZCDECLIFJQSLJ-UHFFFAOYSA-N 272.735 3.757 30 20 CHED CC(C)[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 249871769 JZRBODAUFACRAK-MJBXVCDLSA-N 277.751 3.535 30 20 CHED CC1(C)CC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 348275096 MGRVBASCEGXWRP-HOTGVXAUSA-N 254.377 3.714 30 20 CHED CC(C)N(CC#Cc1ccc(F)cc1)C1CCCC1 439954160 ZHCQMZPYDJGJJN-UHFFFAOYSA-N 259.368 3.830 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1nc2ccccc2o1 346510157 PVICPBQLBZLGBJ-CYBMUJFWSA-N 291.354 3.892 30 20 CHED CCC[C@@H](C(=O)N1CC(C)(C#N)C1)c1cccc(Cl)c1 529235363 YUFOWCVEFYXDNL-CQSZACIVSA-N 290.794 3.596 30 20 CHED C=C[C@@H](CC(=O)Nc1scnc1C)c1ccccc1 340306129 NVYZAYGOHRQVEG-LBPRGKRZSA-N 272.373 3.750 30 20 CHED CCN(CCOc1cccc(C#N)c1)Cc1cccc(F)c1 603846132 TVSFOJSDEKRNCH-UHFFFAOYSA-N 298.361 3.598 30 20 CHED C=CCCN(C)C(=O)c1cccc2c3c([nH]c12)CCCC3 346852148 WKEVXRGIGGGPRC-UHFFFAOYSA-N 282.387 3.695 30 20 CHED COc1ccc(CC[C@@H](C)Nc2nc(C)ccc2C#N)cc1 346841454 SWILGVGKGPCGNL-CYBMUJFWSA-N 295.386 3.704 30 20 CHED N#Cc1nc(N(CC2CC2)CC2CC2)ccc1C(F)(F)F 443508895 HLHNSHPCERVLNN-UHFFFAOYSA-N 295.308 3.598 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CCC)C1CCCC1 449302493 VKQDRCWSHFRLBG-ZACQAIPSSA-N 265.441 3.916 30 20 CHED Cc1ccc(CCC(=O)N[C@H](C#N)CC(C)C)cc1Cl 608821812 WERXMCCYMQZXKZ-AWEZNQCLSA-N 292.810 3.636 30 20 CHED C=C1CCN(Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 264493030 TUGKFTVBDVJIAC-UHFFFAOYSA-N 283.371 3.562 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Cl)cc(C)c1O 449885270 DNELSRNYDCQWFP-UHFFFAOYSA-N 253.729 3.505 30 20 CHED N#Cc1ccc(SCc2nccn2C(F)F)c(F)c1 356055569 KEQZLVJUUZXERK-UHFFFAOYSA-N 283.278 3.581 30 20 CHED CC(=O)Nc1cccc([C@@H](C)NC2CCC(C)(C#N)CC2)c1 449077231 YJGAVNLHOKDUSM-IMUUDWKMSA-N 299.418 3.768 30 20 CHED CSc1ccccc1-c1cn([C@H]2CC[C@H](C#N)C2)nn1 600974230 XARXUOOSNBXGSZ-RYUDHWBXSA-N 284.388 3.532 30 20 CHED C=CCCCCCn1cnc2sc3c(c2c1=O)CCC3 447303586 SQEAEMDOFLBELL-UHFFFAOYSA-N 288.416 3.693 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](c3ccccc3F)C2)CC1 355190826 WWRQQTYXIJHESW-CQSZACIVSA-N 287.378 3.888 30 20 CHED C=C[C@H](CO)N[C@@H](CCC)c1ccc(Cl)c(Cl)c1 353569206 KNCOFXKTWLJLPE-RISCZKNCSA-N 288.218 3.971 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1C 448822537 KZCMIFWINUZODU-KBPBESRZSA-N 256.349 3.632 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1Cc1cc(C#N)n(C)c1 449733621 PGWKYMXHWGZFNX-GOSISDBHSA-N 297.377 3.681 30 20 CHED C[C@@H](C(=O)NCCCC#N)c1c(Cl)cccc1Cl 612063455 RHGATVNXLZDGIW-SECBINFHSA-N 285.174 3.517 30 20 CHED N#C[C@H]1CC[C@@H](NCCCc2ccc(Cl)cc2)C1 442859641 AOYBIOPKHCFPLN-DZGCQCFKSA-N 262.784 3.554 30 20 CHED C[C@H]1CCC[C@@H](c2noc(CNc3ccc(C#N)cc3)n2)C1 356225296 SBIDGEFRJPDYOC-GXTWGEPZSA-N 296.374 3.847 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccnc(C)c2)c1 447480271 HOQDNLJFPUYAQQ-UHFFFAOYSA-N 282.343 3.597 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1nc3ccccn3c1C#N)CC2 611752759 PZDGVGVWUIPQKK-OAHLLOKOSA-N 288.354 3.614 30 20 CHED CC(C)N(C(=O)c1ccc(CC#N)cc1)c1ccccc1 534735335 FUNNXQCNXLSTKU-UHFFFAOYSA-N 278.355 3.808 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(c2cnccc2C#N)C1 538742698 LWUFNOCQQQACAT-LJQANCHMSA-N 291.398 3.802 30 20 CHED CCCN(CC#N)Cc1cc(Cl)sc1Cl 449018500 SHCUHTMKWLKWGF-UHFFFAOYSA-N 263.193 3.790 30 20 CHED C=C(CNC(=O)Nc1ccc(SC)cn1)c1ccccc1 350693369 OBVWQXAVGLLZLE-UHFFFAOYSA-N 299.399 3.638 30 20 CHED Cc1nc(N[C@@H]2CCc3cc(C#N)ccc32)sc1C 618694135 ZHQZBZIQUJQYEY-CQSZACIVSA-N 269.373 3.731 30 20 CHED N#CCCN1Cc2ccccc2C[C@@H]1c1ccccc1 266542052 HADCSRHODMHBHM-GOSISDBHSA-N 262.356 3.700 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnc([C@@H](C)CC)nc1 358153357 PXHHASUPNRSJNE-NHYWBVRUSA-N 261.369 3.531 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1c[nH]nc1-c1nccs1 447092313 APCOXRPOADDBSP-ZJUUUORDSA-N 262.382 3.546 30 20 CHED C=CCC1(NC(=O)c2ccc3nc(C)n(C)c3c2)CCCC1 619110960 SAZIUMCGHRSUKF-UHFFFAOYSA-N 297.402 3.500 30 20 CHED C[C@]1(CN[C@H]2CCCc3cc(C#N)ccc32)CCCS1 611393291 AUECPHKELCYKKR-DLBZAZTESA-N 286.444 3.811 30 20 CHED Cc1ccc2oc(S[C@@H](C#N)Cc3ccccc3)nc2n1 612030390 TYPVEBWMUHSEPN-CYBMUJFWSA-N 295.367 3.758 30 20 CHED CCOC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C(C)C 616094587 GAMZDCJWPXUCAT-ROUUACIJSA-N 286.419 3.586 30 20 CHED CCCn1ncc(NCc2ccc(CC#N)cc2)c1C1CC1 453139765 CCSXTHGIEZJLHM-UHFFFAOYSA-N 294.402 3.849 30 20 CHED CN(CCCCC#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273420797 JUENPPKRUZJZNK-DLBZAZTESA-N 290.382 3.671 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 610239449 CRELKTVZKOQQJE-WDEREUQCSA-N 298.308 3.617 30 20 CHED Cc1ccc2nc(CSc3ccc(C#N)cc3F)cn2c1 610165773 OKMDEFRLXPEMJI-UHFFFAOYSA-N 297.358 3.946 30 20 CHED CC[C@@H](N[C@@H](C)Cc1c(C)noc1C)c1ccc(C#N)cc1 278835108 ULNJWQMSMGKRLX-KPZWWZAWSA-N 297.402 3.835 30 20 CHED C=CCC[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 455983635 BEKMIFXPVBMXEU-BSDSXHPESA-N 299.414 3.768 30 20 CHED N#Cc1c(F)cccc1NCC1(c2cccc(F)c2)CC1 610076860 FLRKMHQQSOXKCK-UHFFFAOYSA-N 284.309 3.980 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCOc3c(F)cccc32)CCC1 365006890 WRIWZXXVNGFPHL-CQSZACIVSA-N 289.350 3.512 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccc(F)c(Cl)c1 451192199 IHYJSOAERFITNI-UHFFFAOYSA-N 269.747 3.650 30 20 CHED C=CCCN(C)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 613842768 VQWDZESEPPDJMD-IAGOWNOFSA-N 271.404 3.680 30 20 CHED N#CCCCOc1cccc(CN2[C@H]3C=CC[C@H]2CC3)c1 367536135 QBRDLDTVLXGZEQ-IRXDYDNUSA-N 282.387 3.662 30 20 CHED C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(C)(C)CC#N 459728863 JLXAOGZPKXNNFX-LCYFTJDESA-N 287.363 3.528 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OCCC)cc1 276083295 LPXXOEPJVQCWKE-UHFFFAOYSA-N 262.353 3.515 30 20 CHED C#CCC(C)(C)c1nc(Cc2cccc3cccnc23)no1 274345594 QOZUFTPGNFSPMP-UHFFFAOYSA-N 291.354 3.510 30 20 CHED COC(=O)[C@@H](CC(C)(C)C)Sc1ccc(C#N)cc1 542931360 CKJPUFBQJYCARZ-CYBMUJFWSA-N 277.389 3.628 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCOc3ccccc32)CCCCC1 456376544 ZXJPXRTUGFFZGF-MRXNPFEDSA-N 299.414 3.948 30 20 CHED C=C(C)COc1cc(CNC[C@@H](C)C2CC2)ccc1OC 622267233 QRHPYWZXBBIPQJ-CQSZACIVSA-N 289.419 3.786 30 20 CHED CC#CCCNC(=O)[C@H](c1cccc(Cl)c1)C(C)C 543668836 HGEKQSSVGCEFJC-HNNXBMFYSA-N 277.795 3.609 30 20 CHED CC(C)N(Cc1ccccc1F)CC1(C#N)CCC1 450301136 IIYXCMYDIATWSK-UHFFFAOYSA-N 260.356 3.730 30 20 CHED C=CCC[C@H](C)N[C@H](c1ccc(F)cc1)c1cnn(C)c1 274814421 YSQHVDYDXVEHEN-SUMWQHHRSA-N 287.382 3.593 30 20 CHED CCC1(CC)CN(C(=O)CCCC#N)c2ccccc21 360361969 GJXNHYXCEBVYOB-UHFFFAOYSA-N 270.376 3.785 30 20 CHED C=CCN(C(=O)c1cccc(OCC)c1)C(C)(C)C 622943442 BIMZIDMYAQCADE-UHFFFAOYSA-N 261.365 3.512 30 20 CHED N#Cc1cccc(C#N)c1NC[C@H]1CCCCC1(F)F 450587609 UIWPBFOPZTWCIO-CYBMUJFWSA-N 275.302 3.667 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1ccc(OC)cc1)C1CC1 271478200 SEJBJTFJOGDZBV-INIZCTEOSA-N 288.391 3.506 30 20 CHED Cc1c(C#N)c(SCC2CCC2)nc2c1CCC2 463267972 SLSKJLLHLSBJOL-UHFFFAOYSA-N 258.390 3.643 30 20 CHED C=CCCc1nc(-c2ccc(C(F)(F)F)cc2)no1 544974118 IONYTJHZHMBVLF-UHFFFAOYSA-N 268.238 3.874 30 20 CHED Cc1cccc(NCCOc2cccc(C#N)c2)c1C 462197694 FEJYBVZAVOGZNV-UHFFFAOYSA-N 266.344 3.666 30 20 CHED CCC(=O)c1cc(Cl)ccc1OCC1(C#N)CC1 540855882 ASVMSAFBRJTKPN-UHFFFAOYSA-N 263.724 3.615 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 467733638 XWCGMGDCAYNYQA-BFJAYTPKSA-N 261.409 3.696 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(Cl)c(C#N)c1 469492578 UPZLVONLDDZUMR-GHMZBOCLSA-N 276.767 3.976 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(Cl)ccc1O 280779128 IAXLEOXUSCQXNX-WQGACYEGSA-N 295.810 3.677 30 20 CHED C=CCN(C(=O)C[C@@H]1CCC[C@@H](OC)C1)c1ccccc1 280605019 VMJHURGTBXMFTI-NVXWUHKLSA-N 287.403 3.801 30 20 CHED C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)CC1)c1cccc(C#N)c1 462342059 OEGRNPXLINGCOM-JKIFEVAISA-N 284.403 3.747 30 20 CHED Cc1ccc([C@]2(C)CCN(c3nc(C)ccc3C#N)C2)cc1 557674007 OIJDVAIOPLTBDP-LJQANCHMSA-N 291.398 3.738 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H](c2ccncc2)C1 552034096 DLVYQDAHTVIUSX-QGZVFWFLSA-N 284.403 3.556 30 20 CHED CCC[C@@]1(C)CCCN(c2nc3c(cc2C#N)CCC3)C1 463064305 ZUIATIXTONJUIE-SFHVURJKSA-N 283.419 3.849 30 20 CHED CC#CCCCC(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F 466262658 UTLYAVSKRSOREQ-HNNXBMFYSA-N 297.320 3.908 30 20 CHED CCc1cccc(CN(C#N)c2ccc(F)c(C#N)c2)c1 468404122 UMXJVFXVFALGGF-UHFFFAOYSA-N 279.318 3.747 30 20 CHED C=CC[C@H](CC)N[C@H](C)CC(=O)Nc1ccccc1CC 281547403 IZKOVVKQLKDGTN-ZBFHGGJFSA-N 288.435 3.910 30 20 CHED C=C[C@H](C)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 465116772 AKLGMBCRDCEUDX-LBPRGKRZSA-N 277.795 3.843 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCCC2(CC2)C1 558673646 CJOHEYQPUYYBPT-UHFFFAOYSA-N 286.423 3.502 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2cnc(C)s2)CCCC1 637653393 ASHHPCURVIJLDC-NSHDSACASA-N 293.436 3.701 30 20 CHED CC(C)(C)CCCCNc1cc(N)c([N+](=O)[O-])c(C#N)c1 553033019 KQRQHSJPMZUTOA-UHFFFAOYSA-N 290.367 3.677 30 20 CHED CC(C)c1[nH]ccc1C(=O)N(CCC#N)CC(C)(C)C 285268645 DPEBKVCPHPDYML-UHFFFAOYSA-N 275.396 3.540 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1cccc2ccccc12 465217842 SLRKJAISRVOVHT-CHWSQXEVSA-N 268.360 3.775 30 20 CHED C[C@@H]1Cc2ccccc2N1CCNc1ccc(F)cc1C#N 462383746 IGFFWTQCJWAEAA-CYBMUJFWSA-N 295.361 3.560 30 20 CHED C=CCOCCCOc1ccc(Br)cc1F 475954476 LQCRTQNFXJYBLS-UHFFFAOYSA-N 289.144 3.560 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(Cl)c(OC)c1 557998858 XMIOLUGRDWLXMH-INIZCTEOSA-N 295.810 3.610 30 20 CHED Cc1cc(Cl)c(NC(=O)N(C)[C@H](C)CC#N)cc1C 297485494 SXLFYSAOIWBFCX-LLVKDONJSA-N 279.771 3.723 30 20 CHED C=CCOCCCSc1cccc(Cl)c1C#N 475868731 WYSULQMWUMVPLB-UHFFFAOYSA-N 267.781 3.896 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cccc(-c2ccccc2)c1 806759720 SWFBGSXWKZWWBZ-AWEZNQCLSA-N 278.355 3.839 30 20 CHED COC(=O)c1cc(NCc2ccc(C#N)cc2)c(C)cc1C 471523970 VEGSIMSKMGJQHT-UHFFFAOYSA-N 294.354 3.574 30 20 CHED Cc1cccc2cc(C(=O)OCCCC#N)sc12 808629712 LQGBUGJKAJICGJ-UHFFFAOYSA-N 259.330 3.670 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1cc(F)c(F)c(F)c1 557807938 CMFHQAWKDNZBFG-QMMMGPOBSA-N 296.317 3.888 30 20 CHED COc1ccncc1CON=Cc1ccc(C(C)C)cc1 808245469 LTMXYJCDADCYEJ-UHFFFAOYSA-N 284.359 3.764 30 20 CHED C#CCCCCc1nc([C@@H]2CSc3ccccc32)no1 296416167 LGBICWXIJDPEEV-CYBMUJFWSA-N 284.384 3.653 30 20 CHED C#Cc1ccc(CN(C)[C@@H](C)c2ccc(OC)cc2)cc1 809543854 VWQKIBNPYPXURY-HNNXBMFYSA-N 279.383 3.870 30 20 CHED C=CC[C@@H](C)N[C@@H](C)CCc1ccc(F)cc1F 560546426 TUYQJWLRYAXBAD-NEPJUHHUSA-N 253.336 3.840 30 20 CHED C[C@H](c1nc2ccccc2o1)N1CCC(CCC#N)CC1 567791203 KFLJNDVWIGOZTE-CYBMUJFWSA-N 283.375 3.905 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C(C)(F)F 292697254 AIXOWCRVNFDPQK-GFCCVEGCSA-N 294.345 3.588 30 20 CHED CCC/C(C)=C/C(=O)Nc1cc(C#N)c2ccccc2n1 809078792 TXWCAWGRYJWNHM-FMIVXFBMSA-N 279.343 3.791 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)C[C@@H](C(=O)O)c2ccccc21 806562833 POSYDIPDWBLNQZ-HMWXGYMHSA-N 296.297 3.664 30 20 CHED C#CCCCC(=O)OCCn1ccc2cc(Cl)ccc21 806057945 BSDXDSVBBFKAGA-UHFFFAOYSA-N 289.762 3.641 30 20 CHED C=CCCCCCCCNC(=O)Nc1cccnc1 809873337 GBFQMFOYNYZVOS-UHFFFAOYSA-N 261.369 3.730 30 20 CHED Cc1cc(N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc(C#N)n1 566583027 YIMXNFCYRQHFDG-BJHJDKERSA-N 297.324 3.819 30 20 CHED CC#CC(=O)NCC(CC)(CC)c1ccc(Cl)cc1 801146595 JOTKKPUKJKCELT-UHFFFAOYSA-N 277.795 3.537 30 20 CHED C=C(CNC(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1 805251423 XFQZVBMGNUSBRP-NTMALXAHSA-N 298.773 3.578 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cn2)[C@H]1c1cccs1 569118927 XULQEKZCJJCHMX-HNNXBMFYSA-N 283.400 3.598 30 20 CHED C#CCOc1ccc(CN[C@@H](CCC)c2cccnc2)cc1 296628743 XHDJDJZYTCQVJB-IBGZPJMESA-N 294.398 3.725 30 20 CHED CC[C@@H](CC#N)NC(=O)C1(c2ccccc2C)CCCC1 292315462 IKWCMVCJNICVOW-HNNXBMFYSA-N 284.403 3.615 30 20 CHED CC1(C)CN(C(=O)C#Cc2ccccc2)[C@H]1c1cccs1 809290485 RFZHIQMLKWZXMK-KRWDZBQOSA-N 295.407 3.709 30 20 CHED C#C[C@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 811944885 LGVJFHUJSXZPDW-ZDUSSCGKSA-N 275.760 3.506 30 20 CHED FC(F)(F)c1cccnc1NN=C1C[C@H]2CC[C@H]1C2 814801601 OBWZAHLKEBUWMI-IUCAKERBSA-N 269.270 3.688 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)c(OC(C)C)c1 489557886 AFOPMAXYTLVYRB-CYBMUJFWSA-N 276.380 3.868 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)C1(C#N)CCC1 489731966 CCQFKIOAORTVMA-CABCVRRESA-N 296.414 3.881 30 20 CHED C#CCCCCCc1nc(-c2ccc(F)cc2F)no1 815701692 YMSOHQDYCPMFDJ-UHFFFAOYSA-N 276.286 3.751 30 20 CHED C=CCCCCOC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 811012353 ILJJLJWHRUCLFW-ZDUSSCGKSA-N 276.380 3.676 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1c(C)cccc1C 489988206 KUIWRIBKXJARMU-UHFFFAOYSA-N 259.393 3.564 30 20 CHED CCCCCCCOc1ccc(-c2nnc(N)o2)cc1 812305417 AZUOIQWWVOITCN-UHFFFAOYSA-N 275.352 3.668 30 20 CHED N#CCCN[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 819035628 XQHNRRXQKHDZHY-IBGZPJMESA-N 292.382 3.604 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(C#N)cn1 570981618 SFACHZPVBDATCL-SPYBWZPUSA-N 291.398 3.720 30 20 CHED CC(=NOCC1CC1)[C@H](C)Cc1ccccc1[N+](=O)[O-] 814243075 DOIZDDBSQAAOTA-LLVKDONJSA-N 276.336 3.576 30 20 CHED C#C[C@@H](Nc1nc(CC)ns1)c1ccc(Cl)cc1 811862588 XPDSRGPBLNHHKY-LLVKDONJSA-N 277.780 3.540 30 20 CHED CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CCCC(C)(C)C#N 485755727 VYCCAGAOIIAOKC-GJZGRUSLSA-N 280.456 3.842 30 20 CHED c1ccc2ncc(CNN=C3CC[C@@H]3C3CCC3)cc2c1 814876431 BZMGDCPEFFBQAQ-MRXNPFEDSA-N 279.387 3.891 30 20 CHED C=CCC[C@@H](CCC)NC[C@H]1COc2ccccc21 578396670 YTUXUYDDRHYEDB-LSDHHAIUSA-N 259.393 3.887 30 20 CHED N#CCOc1cccc(OCC[C@@H]2CC2(Cl)Cl)c1 818087517 RTQDRCRKQIMEHY-SNVBAGLBSA-N 286.158 3.552 30 20 CHED COc1ccc(C(C)=NO[C@H]2CCCCO2)c(Cl)c1 819808924 IVLHENNPQMMAAD-AWEZNQCLSA-N 283.755 3.616 30 20 CHED C=CC[C@H](NC(=O)N(CC)C(CC)CC)c1ccncc1 812048368 SSUPCDWAYHTJBX-INIZCTEOSA-N 289.423 3.919 30 20 CHED CCCC(=NNc1cccc(C#N)c1)c1cccnc1 814787007 TYPOSAPTPUKGSC-UHFFFAOYSA-N 264.332 3.570 30 20 CHED C=CC[C@@H](CO)CNCc1ccc(-c2cccs2)cc1 657427124 OXUCSMRLTHXHAH-OAHLLOKOSA-N 287.428 3.689 30 20 CHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Cl)ccc1O 818357000 UKPQGHOWHJJSSH-SUHUHFCYSA-N 278.783 3.779 30 20 CHED Fc1cc(F)cc(C2CC(=NO[C@H]3CCCCO3)C2)c1 814888062 WOQXPFJTEYJBBK-MHTVFEQDSA-N 281.302 3.741 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cnc2ccccc2c1 820037117 JXKHXIXNMRXTQN-UHFFFAOYSA-N 269.344 3.880 30 20 CHED C=CCC(C)(C)CNCc1ccnc(Cl)c1F 824433308 JKWYMUGAJOOHFY-UHFFFAOYSA-N 256.752 3.566 30 20 CHED Cc1csc(NC(=O)N2CCC[C@@H](C)CC2)c1C#N 572852963 SUYBCTDBIBWPSW-SNVBAGLBSA-N 277.393 3.582 30 20 CHED C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)CC1(F)F 494220725 RUWXKFXRYNTBBA-GFCCVEGCSA-N 283.749 3.669 30 20 CHED CN1CCCc2cc(NC3CCC(C)(C#N)CC3)ccc21 824103598 LFELEUHZNGXZLW-UHFFFAOYSA-N 283.419 3.953 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1c(F)cccc1F 665152704 OVTIZZYBCHFFHI-UHFFFAOYSA-N 268.307 3.831 30 20 CHED N#CCCCCCc1nc(Cc2cccc(Cl)c2)no1 588321349 KDFQKUJAZBBQBJ-UHFFFAOYSA-N 289.766 3.940 30 20 CHED C=C1CCN(CCCCCCN2CCC(=C)CC2)CC1 731033012 UBDQSTMNQJTGNL-UHFFFAOYSA-N 276.468 3.851 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)c1 588476517 GQFUIPWELWMOQZ-PODYEWJSSA-N 292.338 3.577 30 20 CHED C/C=C(/CC)C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 588569454 YDOCXHIUCGEDGN-MBNGJLNHSA-N 294.354 3.724 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)c1cccc(OC)c1 731212060 QCTVJMYTVHJTTM-UHFFFAOYSA-N 296.370 3.624 30 20 CHED C=CC[C@H](NC(=O)N(CC)C1CCCC1)c1ccncc1 734679488 MWCUEFUGZPNTCR-INIZCTEOSA-N 287.407 3.673 30 20 CHED CC[C@H](C)[C@H](C=NNc1ccc(F)cc1C)OC 834965660 GIPUXXFUCGDTRP-HZMBPMFUSA-N 252.333 3.593 30 20 CHED C=CCCC(=O)Nc1ccc(CCN2CCCCC2)cc1 588032439 GCNJIBOLVPYGHY-UHFFFAOYSA-N 286.419 3.620 30 20 CHED CCOc1cccc(C=NNc2c(F)cccc2F)c1O 735614978 GTQTUIYDJJVNLG-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C=CCC1(C(=O)O[C@H]2CCO[C@@H](CC)C2)CCCC1 835280274 POZVPVDZJOUSJJ-KBPBESRZSA-N 266.381 3.624 30 20 CHED Cc1cncc(C(=O)/C=C\c2cccc(OC(F)F)c2)c1 588476500 DLJGWDLAHVHFCZ-WAYWQWQTSA-N 289.281 3.888 30 20 CHED CC(C)c1nccnc1NN=C1CCCC12CCC2 834976312 CVKGFVFNAHKNEA-UHFFFAOYSA-N 258.369 3.722 30 20 CHED C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1 903428224 NNPXAJROWOKJBR-SCLBCKFNSA-N 277.371 3.755 30 20 CHED COc1cc2c(cc1NC(=O)[C@H](C)C#N)oc1ccccc12 733887587 JOBCEBVXGGZBJB-SNVBAGLBSA-N 294.310 3.693 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(SCCOC)cc1 839541043 ZMMLQDCLJKGROA-GFCCVEGCSA-N 285.840 3.828 30 20 CHED Cc1cccc(C(=O)/C=C/c2cccc(OCC#N)c2)c1 730151469 KYVAPMKRENELSK-CMDGGOBGSA-N 277.323 3.794 30 20 CHED C#CCOc1ccc(NC(=O)CCc2ccccc2C)cc1 730981329 NFCYIZBIVJMOIA-UHFFFAOYSA-N 293.366 3.578 30 20 CHED CCON(CC1CCCCC1)[C@@H]1CC[C@H](C#N)C1 832791733 YXVVJUNPEHKFKG-LSDHHAIUSA-N 250.386 3.512 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)o2)cc(C)c1F 738319719 OOUMZMDVMHJMBB-HWKANZROSA-N 288.274 3.630 30 20 CHED C=CCN(C(=O)N[C@H]1CCSc2ccccc21)C(C)C 918056756 RFNRDWVCHIADIH-AWEZNQCLSA-N 290.432 3.830 30 20 CHED C[C@@H](C#N)OC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 733522609 LCNHRXBBOSXRIC-UWVGGRQHSA-N 285.265 3.654 30 20 CHED CC(=NNC(=S)Nc1ccccc1C)c1ccc(C)o1 915920264 BCHYEVMKEHLPNZ-UHFFFAOYSA-N 287.388 3.607 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C3=CC[C@H](C)CC3)[nH]c12 835173546 PQZCKJWJRWYXCI-SMDDNHRTSA-N 293.370 3.794 30 20 CHED CC1(C#N)CN(C(=O)c2cc3cc(Cl)ccc3s2)C1 597603767 IBPXNGAZCXSZLF-UHFFFAOYSA-N 290.775 3.540 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1cccc(C(F)(F)F)n1 835337341 QZVCEPJSEIVCKQ-ZDUSSCGKSA-N 287.281 3.860 30 20 CHED C[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1c(F)cccc1F 839059280 ZRWZDMLUJLBJFX-TUAOUCFPSA-N 293.313 3.694 30 20 CHED Cc1ccoc1C=NNc1nc2ccccc2s1 743418604 FCYZSYOFAZPKRE-UHFFFAOYSA-N 257.318 3.644 30 20 CHED C[C@H]1N(C(=O)NCC2(CC#N)CC2)c2ccccc2C1(C)C 596588270 YBNFFAAXFYBBSQ-CYBMUJFWSA-N 297.402 3.576 30 20 CHED CC1(C)CN([C@H](C#N)c2ccccc2)[C@H]1c1cccnc1 596592667 ZXYYYOVCEKGVSK-SJORKVTESA-N 277.371 3.729 30 20 CHED C=CCCCC(=O)Nc1ccc(N(CC)CC)cc1 748286340 TWASNICVCIVFPA-UHFFFAOYSA-N 260.381 3.828 30 20 CHED N#Cc1ccc(CCC(=O)NCC2CCCCCCC2)cc1 917819083 DEQHBGSJOHLWBC-UHFFFAOYSA-N 298.430 3.968 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccc2cc[nH]c2c1 748934506 SVBHPDQOGAQEJS-UHFFFAOYSA-N 290.322 3.705 30 20 CHED CCOc1cc(N[C@H](C)c2ccc(C#N)cc2)c(F)cn1 596079686 WEMPAYCXCPLHNM-LLVKDONJSA-N 285.322 3.664 30 20 CHED C=CCN(C(=O)N[C@@H]1CCc2cc(C)ccc21)C(C)C 919920517 YVOWGTPJBBYZCG-MRXNPFEDSA-N 272.392 3.588 30 20 CHED C=C(Cl)CN(CCCO)[C@H]1CCCc2ccccc21 749801618 IEZIYZOSUAQSPR-INIZCTEOSA-N 279.811 3.501 30 20 CHED C=C(CNC(=N)Nc1cccc(CC)c1)c1ccccc1 849077992 RTPCRGLDLWMQMH-UHFFFAOYSA-N 279.387 3.899 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1ccn(C)n1 841634800 YSXPFSJXIZDXAD-UHFFFAOYSA-N 270.380 3.554 30 20 CHED C=C(C)CONC(=O)N(C)[C@@H](c1ccccc1)C(C)C 845596953 IJNGVXALBRPHAU-OAHLLOKOSA-N 276.380 3.533 30 20 CHED C#CCN(CC)C(=O)c1ccc(-c2ccc(CC)cc2)o1 742577631 PZVPLMZUUIPBNS-UHFFFAOYSA-N 281.355 3.604 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](CC)[C@H]2C[C@H]2C)c1 840731010 YDDGIFZOEQRCCX-LFVTVUPYSA-N 286.419 3.892 30 20 CHED N#Cc1ccc(CNCCC[C@H]2CC2(Cl)Cl)s1 846105138 ONOPSGVAMIRNFQ-VIFPVBQESA-N 289.231 3.683 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C)c(C)c1 917503580 OEOIGJZHVDSKHU-GOSISDBHSA-N 290.366 3.503 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1ccc(C#N)s1 749317272 HDMWPVMPUCHHSL-UHFFFAOYSA-N 299.351 3.576 30 20 CHED CC1(C)CN(CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 596589056 IBHPNBLNQIMGMC-GOSISDBHSA-N 291.398 3.579 30 20 CHED C(=NNc1cnccn1)c1ccccc1-c1ccccc1 917545519 CVNPNBLSCBMEKB-UHFFFAOYSA-N 274.327 3.590 30 20 CHED N#Cc1cc(F)ccc1-c1ccc(C[C@@H](O)C2CC2)cc1 596636046 MNYMOKRSLMUVOE-GOSISDBHSA-N 281.330 3.678 30 20 CHED CCCCCCCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 749516091 RRDBAHXDDBBGTF-SJLPKXTDSA-N 278.484 3.906 30 20 CHED C[C@]1(C#N)CCCN(Cc2cccc(C3CC3)c2)C1 591502723 RERNALZPHFDCLK-QGZVFWFLSA-N 254.377 3.690 30 20 CHED Cc1cc(NC(=O)N2CCC(CC#N)CC2)ccc1Cl 594203912 VBTUYMBPMRYWSZ-UHFFFAOYSA-N 291.782 3.806 30 20 CHED C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc2ccccc12 598599447 IYWAIGVVCIFAPA-HOCLYGCPSA-N 296.414 3.791 30 20 CHED N#CCC[C@@H](C#N)CNc1ccc(Cc2ccncc2)cc1 591773643 XKGXODDFIVVWNB-KRWDZBQOSA-N 290.370 3.528 30 20 CHED CC[C@@H]1C[C@@H](C(=O)OCCC2(C#N)CCCCC2)CCO1 840422090 GZFLUXQQMJIGSZ-LSDHHAIUSA-N 293.407 3.599 30 20 CHED C[C@@H]1CCCCCC1=NNc1ccc(CC(=O)O)cc1 848415768 YBPALUMIGYXFDP-GFCCVEGCSA-N 274.364 3.682 30 20 CHED CC1(C)CN(CCc2ccc(C#N)cc2)[C@H]1c1cccnc1 596589057 IBHPNBLNQIMGMC-SFHVURJKSA-N 291.398 3.579 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)SCCCC)C1 597998133 MEJVQUMTZNUITH-ZIAGYGMSSA-N 269.454 3.723 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OCCCC(F)(F)F 847670204 VDSJJPQILZAQNM-LLVKDONJSA-N 299.292 3.623 30 20 CHED CC1(CCCCSc2ccc(C#N)cc2F)OCCO1 840198225 AVUURARSLPYJKM-UHFFFAOYSA-N 295.379 3.723 30 20 CHED CC[C@H](Oc1cccc(C)c1)C(=O)Oc1ccc(C#N)cc1 749308871 GJIZPDKMBBSAOE-KRWDZBQOSA-N 295.338 3.630 30 20 CHED CC(C)Oc1ccc(C=NNc2ccc(C(=O)O)cc2)cc1 915933445 KIFLNUKXYBKQEL-UHFFFAOYSA-N 298.342 3.618 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 597916580 XORYXOXKWXXNAU-CQSZACIVSA-N 294.354 3.712 30 20 CHED COC(=O)Cc1ccc(NN=C(C)CC(C)(C)C)cc1 844606159 RVLQLDMGKUATHV-UHFFFAOYSA-N 276.380 3.626 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)C(C)C 743755378 XGSAJOJJAGNELU-PKOBYXMFSA-N 283.415 3.704 30 20 CHED CCCCCC(CCCCC)=NN(C)C(=S)NC 841648155 XDLKHTHQVWWGJP-UHFFFAOYSA-N 271.474 3.939 30 20 CHED Cc1cc(C)c(C(=O)N(c2ccc(C#N)cc2)C2CCC2)o1 598886796 LOJUDYIQNLIVTC-UHFFFAOYSA-N 294.354 3.967 30 20 CHED C=CCCCC(=O)NCCCN(CC)C1CCCCC1 844779825 KFTSURNOLFCQFV-UHFFFAOYSA-N 280.456 3.504 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1CCN(C2CCCCC2)CC1 925209032 WASIMXUAIKACFB-HNNXBMFYSA-N 291.483 3.701 30 20 CHED C=C[C@H](CC(=O)OCc1conc1CC)c1ccccc1 848735167 VEGAAEXTRHCYGC-CYBMUJFWSA-N 285.343 3.640 30 20 CHED Cc1c(NN=Cc2cccc3[nH]ccc23)cccc1[N+](=O)[O-] 755698044 NUBSRYARQAEFPK-UHFFFAOYSA-N 294.314 3.831 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cccc(C#N)c2)co1 752883101 OZJBLHRPARPENO-SREVYHEPSA-N 266.300 3.566 30 20 CHED CC#CCCNC(=O)Nc1cc(C)cc(C(F)(F)F)c1 683091250 IHSPZTFTVAGAFT-UHFFFAOYSA-N 284.281 3.549 30 20 CHED C(=NOC1CCCC1)C1CCN(Cc2ccccc2)CC1 853328698 WAOBSUNWPWOOGE-UHFFFAOYSA-N 286.419 3.844 30 20 CHED CCC(=NNC(=S)Nc1cccnc1)C1CCCCC1 750919851 UBRXYJREZCHHKW-UHFFFAOYSA-N 290.436 3.714 30 20 CHED C#CCCCCN[C@@H](CCC)c1ncccc1Cl 925529468 YHPNBYIDQVPHQR-AWEZNQCLSA-N 264.800 3.969 30 20 CHED CCn1c(C(C)=NNc2cc(C)ccn2)nc2ccccc21 755902156 ZVZNCZCAHHBLSU-UHFFFAOYSA-N 293.374 3.596 30 20 CHED Cc1ccc(C)c(NC(=S)NN=C/C=C/c2ccco2)c1 920362001 GSYNZLXOOQGJPD-CFVHLLPYSA-N 299.399 3.882 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc(-n3cccn3)cc2)c1 920375029 PPIVDAHGEMQCTG-UHFFFAOYSA-N 298.296 3.597 30 20 CHED C=C[C@H](OC(=O)c1ccn(C(C)C)n1)c1ccccc1 851451990 GCOMDWGFLJXNCB-HNNXBMFYSA-N 270.332 3.548 30 20 CHED C[C@H](NN=C[C@H]1CCOc2ccccc21)c1ccccc1 752164969 RFEJOKQRQYGYAD-GOEBONIOSA-N 280.371 3.889 30 20 CHED Cc1cc(F)ccc1C=NNc1ccc(F)cc1F 750911782 GRICLMYPTGTOAL-UHFFFAOYSA-N 264.250 3.858 30 20 CHED CC[C@H](CC#N)OC(=O)[C@@]1(c2ccccc2)CC1(C)C 850980065 ZTJOHHXRFFCZMY-PBHICJAKSA-N 271.360 3.590 30 20 CHED C#C[C@](C)(CC)NCc1ccc(Cl)nc1C(F)(F)F 852103658 NWKIWVJNZXPSQT-GFCCVEGCSA-N 290.716 3.645 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N(C2CC2)[C@@H](C)C#N)cc1C 855584671 VBHBATMGCKCTER-KKTNHOPESA-N 282.387 3.528 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)[C@H](O)CCCC3)o1 850362786 NQVWBKZBZANBDQ-QGZVFWFLSA-N 282.343 3.523 30 20 CHED C[C@H]1CCCCN1N=Cc1ccc(C(F)F)cc1 853382077 RXTLWLAURMRHKX-NSHDSACASA-N 252.308 3.833 30 20 CHED C=CCN(C(=O)c1cc2c(C)cccc2o1)C1CC1 935224042 GDFZJJYSUFNLMT-UHFFFAOYSA-N 255.317 3.532 30 20 CHED C=C[C@H](OC(=O)C1CCSCC1)c1ccccc1 851453971 VWGGITDNMZSYHS-AWEZNQCLSA-N 262.374 3.600 30 20 CHED CO[C@@H](C/N=C/c1cc2ccccc2nc1O)C1CCCC1 852998260 JPKSLBJEVWHAGS-WAKXPGHKSA-N 298.386 3.565 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccc(F)cc1O 759083066 HCEFFYMFROATKC-ONEGZZNKSA-N 283.711 3.537 30 20 CHED C#C[C@@](C)(CC)NCc1nc(-c2cccs2)oc1C 852097988 BTKVBJNZOYRLKR-HNNXBMFYSA-N 274.389 3.603 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1cccc(C(C)C)c1 853005712 UWOSSBSQJOREJF-CMDGGOBGSA-N 268.360 3.748 30 20 CHED Cc1cc(-c2cnn([C@@H]3CCCCO3)c2)ccc1CC#N 854210069 MQPWFSZRONHSCX-KRWDZBQOSA-N 281.359 3.624 30 20 CHED C=CCC1(NC(=O)c2cc(C=O)ccc2F)CCCCC1 861916473 RBIAUSFBCIJMIY-UHFFFAOYSA-N 289.350 3.647 30 20 CHED C[C@H](COCC1CCCCC1)NCCC(C)(C)C#N 932421782 DYBRZGQMRSDJNA-CQSZACIVSA-N 266.429 3.501 30 20 CHED Cc1cccc(NN=Cc2ncc(C(C)(C)C)s2)n1 863160359 AXMSNFQPCHGSMR-UHFFFAOYSA-N 274.393 3.590 30 20 CHED C=CCCCC(=O)NC[C@H](OC)c1ccccc1Cl 763840644 UKUCTXQIVWMRKM-AWEZNQCLSA-N 281.783 3.500 30 20 CHED C#C[C@H](OC(=O)C[C@H](C)c1ccncc1)c1ccc(C)cc1 860960781 BIHACRXRGLOLIC-YJBOKZPZSA-N 293.366 3.801 30 20 CHED Cc1cc(C(=O)OCCCCC(C)(C)C#N)cc(Cl)n1 768875624 GKHOHBDMMHKDGG-UHFFFAOYSA-N 294.782 3.920 30 20 CHED C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](C#N)C1 932159390 ZHDYTCULAABYGR-QWRGUYRKSA-N 266.747 3.776 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1cccc(F)c1Cl 863158950 XEUPDIXHPIHHLM-JTQLQIEISA-N 270.735 3.694 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 769830471 NTKDJQSJEMYGRO-UHFFFAOYSA-N 273.267 3.570 30 20 CHED N#CC1(COC(=O)[C@H]2CCSc3ccccc32)CCC1 768092265 ZOYNOUQVLKMBHK-ZDUSSCGKSA-N 287.384 3.503 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNC(=S)Nc1ccccn1 769585948 QWVMQXBNXQDRCR-VXGBXAGGSA-N 290.436 3.570 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccccc1OC(C)C 860198418 ZDMGFIDSTPWEOT-UHFFFAOYSA-N 289.375 3.847 30 20 CHED COc1cc(OC(=O)C[C@@H]2CCC[C@@H](C)C2)ccc1C#N 767154243 OBVMLRYAHPPPPU-CHWSQXEVSA-N 287.359 3.689 30 20 CHED C#C[C@@H](OC(=O)CCc1csc(C)n1)c1ccc(C)cc1 860964039 IQKXDITXZWKWRL-MRXNPFEDSA-N 299.395 3.610 30 20 CHED CO[C@H](C)C(C)=NN[C@@H](C)c1ccc(C(C)C)cc1 763170008 ZRHHKUDJXMBNKA-UONOGXRCSA-N 262.397 3.871 30 20 CHED CC(=NNc1cnn(C)c1)c1ccc(Cl)cc1Cl 761866419 RCTGKGSZDQAXBQ-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C[C@@H](NN=Cc1csc(C(F)(F)F)c1)C(F)(F)F 863115908 CLKRRTUWNYQRTB-RXMQYKEDSA-N 290.232 3.641 30 20 CHED C#CCCCCC(=O)N1CC[C@H](C)C2(CCCCC2)C1 765782837 BXHYJLXBZYZANM-INIZCTEOSA-N 275.436 3.999 30 20 CHED C=CC[C@@H](NCc1cccn1C1CC1)c1ccncc1 1117784973 UCOXGJYTBOKPGT-QGZVFWFLSA-N 267.376 3.625 30 20 CHED Cc1ccc(NN=Cc2cc(F)c(F)cc2F)cc1 767744765 UJXSGAMSBOXGSY-UHFFFAOYSA-N 264.250 3.858 30 20 CHED N#Cc1cc(F)ccc1COC(=O)C(F)=C1CCCC1 761970616 XCWCWWWMJGINBM-UHFFFAOYSA-N 277.270 3.538 30 20 CHED CCC(CC)(OC)c1noc(-c2cccc(C#N)c2C)n1 1117675077 CXUCDRFYYWDPGC-UHFFFAOYSA-N 285.347 3.578 30 20 CHED C#CCCCCN[C@@H]1c2cccc(F)c2CC[C@@H]1C 773042816 XBYJKKIKSUDBPG-GUYCJALGSA-N 259.368 3.842 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1(C)CC(F)(F)C1 875799459 NAMRPALQIKGLDC-LLVKDONJSA-N 292.329 3.513 30 20 CHED C#CCCCCCc1nc(CCc2ccccc2)no1 779742198 JRSVXGRZETVVFY-UHFFFAOYSA-N 268.360 3.591 30 20 CHED C#CC[C@@H](N[C@@H](C)CCc1ccco1)c1ccccc1 773105654 IILOHUBQWIRXAE-MAUKXSAKSA-N 267.372 3.955 30 20 CHED C#CCCCCCC(=O)N[C@H](C)Cc1cc(C)cc(C)c1 779923390 PSUFBQGALBSPBU-QGZVFWFLSA-N 285.431 3.934 30 20 CHED C=C(Cl)COC(=O)c1ccccc1COC(C)(C)C 773702858 SGDYXXQDTCIHBZ-UHFFFAOYSA-N 282.767 3.911 30 20 CHED N#CCc1ccc(COC(=O)Cc2ccccc2Cl)cc1 776109738 AXKIRDCFINUUBC-UHFFFAOYSA-N 299.757 3.692 30 20 CHED CC(=NNc1ncccn1)C1(c2ccccc2)CCCC1 774363311 NZDJQBSOFOCWPE-UHFFFAOYSA-N 280.375 3.776 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1csc(C#N)c1 1117816428 ZAKOXJCWFDOBHN-UHFFFAOYSA-N 284.384 3.593 30 20 CHED C#C[C@H](N[C@H](C)c1ccc(SCC)cc1)[C@H]1CCCO1 775572604 SLGOLDPLISBTNQ-XOKHGSTOSA-N 289.444 3.630 30 20 CHED CC(=NOC1CCCCC1)c1ccc(F)cc1O 777456845 HYZYQINPRLNNOL-UHFFFAOYSA-N 251.301 3.605 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(C#N)cc2F)c1 772839698 XKRLGZSOQLJNLA-UHFFFAOYSA-N 267.307 3.760 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2cc(C)sc2C)c1 774117063 VJZUGMVJSINCFB-SNAWJCMRSA-N 290.340 3.641 30 20 CHED O=Cc1cc(Cl)ccc1OCC#Cc1ccc(F)cc1 771147173 NNZSNKLRQKAVLB-UHFFFAOYSA-N 288.705 3.722 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(Cc1ccccc1)C(C)C 1124656210 HRPFNAJSLAERSQ-UHFFFAOYSA-N 292.382 3.918 30 20 CHED CC[C@@H]1CCCCCN1C(=O)c1cc(C#N)ccc1C 1126362450 URCOXBNNSHRYCQ-OAHLLOKOSA-N 270.376 3.662 30 20 CHED CC(C)CN(CCC#N)Cc1cc(Cl)cs1 787048442 FMLCGSOGXSXZLP-UHFFFAOYSA-N 256.802 3.773 30 20 CHED C#CCCCCCC(=O)N1CCC[C@](C)(CCC)C1 780596828 ODWMBDOAJPNYPH-KRWDZBQOSA-N 263.425 3.999 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 889813686 BSPRTHNWPOMBCU-ZDUSSCGKSA-N 276.767 3.623 30 20 CHED C=CCCCCCC(C)=NNc1oc(C)nc1C#N 788995805 WRWMQLPLQFIRED-UHFFFAOYSA-N 260.341 3.779 30 20 CHED Cc1ccc(-c2ccc(C=NOC[C@@H]3CCOC3)o2)cc1 788034786 VOAQRMLTKWTGNS-CQSZACIVSA-N 285.343 3.642 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1cc(Cl)ccn1 783862574 NDDPKGYFWJKKIZ-ZJUUUORDSA-N 251.761 3.959 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)c(Cl)c1 893195426 YPXNROAOJSYFQA-IUODEOHRSA-N 276.767 3.581 30 20 CHED CCc1ccccc1NN=Cc1ccc([N+](=O)[O-])s1 782225684 WZBIISMSWPZEFT-UHFFFAOYSA-N 275.333 3.665 30 20 CHED C=CCCCCCOC(=O)[C@H]1CCO[C@H](CCC)C1 784607977 APRGIOCTQXRMEX-LSDHHAIUSA-N 268.397 3.871 30 20 CHED CC(CCCCN(C)C)=NNc1nc2ccccc2s1 781115728 TVKHUCCECLLLSP-UHFFFAOYSA-N 290.436 3.816 30 20 CHED C#Cc1cccc(NC(=S)NCC(C)(C)C(C)C)c1 782218065 RRQJDFSAKVITOF-UHFFFAOYSA-N 274.433 3.637 30 20 CHED CCOc1cc(C=NN[C@H](C)C(C)(C)C)cc(Cl)c1O 793116074 WEIKLVQVTIMZJX-SNVBAGLBSA-N 298.814 3.802 30 20 CHED CC[C@H](C)NN=C(C)c1ccc(OC)c(Br)c1 790189493 OALKZQDXPWAABV-VIFPVBQESA-N 299.212 3.570 30 20 CHED Clc1cccc(NN=C2CCCOc3ccccc32)n1 793174063 HNMVMDSBKKFUOU-UHFFFAOYSA-N 287.750 3.724 30 20 CHED N#Cc1c(F)cccc1CNc1cc2c(cn1)CCCC2 1205980710 QLWKBLRWFYQIGZ-UHFFFAOYSA-N 281.334 3.583 30 20 CHED CCn1cc(/C=C2\CC(C)(C)c3ccccc3C2=O)cn1 794970514 YLODWGVSSCLVEM-NTEUORMPSA-N 280.371 3.851 30 20 CHED Cc1ccoc1C=NNc1ncnc(Cl)c1C(C)C 797405068 VSVVSBXVBSAWOJ-UHFFFAOYSA-N 278.743 3.601 30 20 CHED FC(F)C1CCC(=NNc2nc3ccccc3[nH]2)CC1 799467394 OIWAXKUNITZVKX-UHFFFAOYSA-N 278.306 3.786 30 20 CHED Clc1cc(Cl)cc(NN=Cc2ccc[nH]2)c1 790201636 IEALWQOFMNYSAO-UHFFFAOYSA-N 254.120 3.768 30 20 CHED Fc1cccc(NN=CCCCCOc2ccccc2)n1 795010000 SHHLIOOPNFYMNX-UHFFFAOYSA-N 287.338 3.868 30 20 CHED Fc1cccc(NN=Cc2cccc(-c3ccccn3)c2)n1 795007112 QQBPAUADMXFDFM-UHFFFAOYSA-N 292.317 3.729 30 20 CHED C#C[C@@H](NC(=O)N(CC)Cc1cccc(Cl)c1)C(C)C 798553783 YZZKACIDMCSBFG-OAHLLOKOSA-N 292.810 3.529 30 20 CHED CC[C@H](C)CON=C(C[C@H]1CCOC1)c1ccccc1 793146285 POHVBYWMFAJDFN-LSDHHAIUSA-N 275.392 3.880 30 20 CHED CC(C)(C)CCNN=Cc1ccc(C(F)F)cc1 794530599 OEOQTSJJJXDVBL-UHFFFAOYSA-N 254.324 3.984 30 20 CHED Fc1cccnc1NN=C1CCSc2ccccc21 794979958 AOXXHDUQEYZYPO-UHFFFAOYSA-N 273.336 3.533 30 20 CHED CCC/C(C)=C\C(=O)[C@H](C#N)c1cnc2ccccc2n1 792111635 XOIXJKHOFIUKQV-KIWPFMIBSA-N 279.343 3.552 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccnc(Cl)c1 798370173 FMUIJWHTDXQHPV-PLNGDYQASA-N 289.766 3.717 30 20 CHED C#Cc1cncc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c1 798279160 IRGVOTCEYMFIOC-LBPRGKRZSA-N 298.773 3.550 30 20 CHED Cc1cc(C)nc(NN=C[C@H](OC(C)C)c2ccccc2)n1 792865891 JEXQKZRHJFINMI-INIZCTEOSA-N 298.390 3.657 30 20 CHED C/C(C=NN1CCCC1=O)=C/c1ccccc1C(F)(F)F 799883689 MRBDXWGHKUTAOG-KONRHVFCSA-N 296.292 3.717 30 20 CHED CC[C@](C)(C#N)C(=O)OCC[C@H]1CCC[C@H](C)C1 797132327 PRKHPPWOPMZVMF-GZBFAFLISA-N 251.370 3.686 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccnc(F)c1 794905830 ZYRPOZSDJMUZBU-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1cc(Cl)ccc1OC 792680152 CJEYQHQJYPFFII-SECBINFHSA-N 284.812 3.600 30 20 CHED N#C[C@@H]1CCCN(Cc2cccc3ccccc23)C1 79829846 BMMTTWQJOWSXAF-AWEZNQCLSA-N 250.345 3.575 30 20 CHED C=CCC1(NCc2ccc(CC#N)cc2)CCCC1 595780489 SVYRVKVUKXFNKE-UHFFFAOYSA-N 254.377 3.731 30 20 CHED CCO[C@@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)C12CCC2 87709351 HMPMKXDZUZDOPR-LSDHHAIUSA-N 290.794 3.971 30 20 CHED N#Cc1ccc(N[C@@H]2CCOC3(CCCCC3)C2)cc1 94366320 WYDYXZTYXBORNV-MRXNPFEDSA-N 270.376 3.852 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1Nc1ccc(C#N)c(C)n1 1307158905 MGPPYLQCXOIVHG-JKSUJKDBSA-N 263.344 3.538 30 20 CHED Cc1cc(=NCCc2csc3ccccc23)c(C#N)c[nH]1 1306934455 LPPXVUIBJNWQLU-UHFFFAOYSA-N 293.395 3.553 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)/C(=C\c1scnc1C)C2=O 1318852371 YEXBOFVRXCEHGZ-CAXXOGMASA-N 285.368 3.849 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 1312841686 RSLDWQHJVLBYPJ-KBPBESRZSA-N 293.455 3.830 30 20 CHED CCc1ccc(C(=O)Nc2ccccc2C#N)cc1CC 1319930893 WOUPFNPVWVSKIU-UHFFFAOYSA-N 278.355 3.935 30 20 CHED CC(C)(CNC(=O)CC#Cc1ccccc1)c1cccs1 1319666475 AOEBDHUXASCIER-UHFFFAOYSA-N 297.423 3.584 30 20 CHED CCC(=Cc1nnc(-c2ccc(C#N)cc2)o1)CC 1322891840 FTIKZKXVPMQSQB-UHFFFAOYSA-N 253.305 3.812 30 20 CHED CCO[C@H]1C[C@H](Nc2cccc(CC#N)n2)C1(CC)CC 1325710962 ZIRFMGNTKKHYQN-GJZGRUSLSA-N 287.407 3.543 30 20 CHED CC(C)(C)Oc1ccc(CCNc2cccnc2C#N)cc1 1330041490 PBSKYXCRJLLBEC-UHFFFAOYSA-N 295.386 3.785 30 20 CHED Cc1csc(-c2nnc(C3(C#N)CCCCC3)o2)c1 1348493675 UKSPOGTUOXGNQC-UHFFFAOYSA-N 273.361 3.832 30 20 CHED C#CC[C@H](OC(=O)c1ccc(C(C)C)nc1O)C(C)(C)C 1345577301 BESUDGQQLUPBEQ-AWEZNQCLSA-N 289.375 3.505 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1coc(C2CCC2)n1 1349863605 MTFUQQLQDKWQAI-ZDUSSCGKSA-N 274.364 3.513 30 20 CHED CC1(CCC(=O)[C@H](C#N)c2nc3ccccc3o2)CC1 1342923220 CHASGMYBHKTBCZ-NSHDSACASA-N 268.316 3.584 30 20 CHED CCNc1ccc(Cl)cc1C(=O)O[C@H]1CC[C@@H](C#N)C1 1342602032 RWRHAAZWHPWJDZ-PWSUYJOCSA-N 292.766 3.621 30 20 CHED Cc1nc(COC(=O)CC2(C#N)CCCCC2)sc1C 1261597952 LMEUIIPTUVABEK-UHFFFAOYSA-N 292.404 3.667 30 20 CHED COc1cc(C=NNc2c(C)cccc2F)ccc1F 1342778296 PTEHFNAJEDOQQC-UHFFFAOYSA-N 276.286 3.728 30 20 CHED N#Cc1cccc(-c2nnc([C@H]3CCC(F)(F)C3)o2)c1 1349987278 VFDVKEXEDDIAHC-NSHDSACASA-N 275.258 3.511 30 20 CHED CCOc1ccc2ccccc2c1C(=O)O[C@H](C)CC#N 1343980175 SQRDFFQVAPHHJR-GFCCVEGCSA-N 283.327 3.697 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 1274125287 YCFNTQPMLMAZRA-HRCADAONSA-N 297.402 3.807 30 20 CHED CCSCc1ccc(Nc2cc(C#N)nc(CC)n2)cc1 1458377463 DXOHZWQSGRWHTR-UHFFFAOYSA-N 298.415 3.907 30 20 CHED CCCCC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1526986644 YJLXLXDCTYIDFG-UHFFFAOYSA-N 295.342 3.874 30 20 CHED Cc1c(F)cccc1NC(=O)[C@H](CC#N)c1ccccc1 1532689063 RRKWCMUFDHUJNA-CQSZACIVSA-N 282.318 3.770 30 20 CHED CC(C)N(C(=O)c1cc(C#N)cs1)c1cccc(F)c1 1539754186 JKLCNWKRHBWESM-UHFFFAOYSA-N 288.347 3.814 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 117396234 ANIDLKZMXYFFCT-ZDUSSCGKSA-N 271.364 3.602 30 20 CHED CCO[C@@H]1C[C@@H](Nc2ccc(C#N)c(C)n2)C12CCCCC2 1559105056 GQJLWHXMZWMKQK-HZPDHXFCSA-N 299.418 3.802 30 20 CHED COc1ccc([C@@H](C)COc2ccc(C#N)c(F)c2)cc1 1559372971 TYFUBUHOQFFGCU-LBPRGKRZSA-N 285.318 3.888 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CCC[C@H](C)[C@H]1C 229136697 JLWVLCRONJCICD-DXCKQFNASA-N 256.393 3.781 30 20 CHED CC(C)C1(CNc2ncc(C#N)cc2Br)CC1 1642365093 SPHKIVZUFMIGNF-UHFFFAOYSA-N 294.196 3.564 30 20 CHED COC[C@H](CC(C)(C)C)Nc1cc(C)cc(C#N)c1 1659444033 IUNIYOQANNKLAF-HNNXBMFYSA-N 260.381 3.730 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccsc2Cl)c1 1583539665 YQEVHPYVSNMUKT-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ncccc1F 1659119982 XLZANLDIRFFJFB-UHFFFAOYSA-N 283.350 3.505 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)OCCC(C)C 1653638910 VWVARCOPIKZTBI-UHFFFAOYSA-N 288.391 3.953 30 20 CHED N#Cc1ccc(CN(CCC2CCC2)C2CC2)cc1 1657912482 MJPXSLBTCLPXQT-UHFFFAOYSA-N 254.377 3.713 30 20 CHED C[C@@H]1CCCC[C@@H]1CN(C)Cc1cccc(C#N)c1 1657582284 JECNNCRYRJDHGB-RHSMWYFYSA-N 256.393 3.816 30 20 CHED Cc1cc(NC2CCC(C(C)C)CC2)ncc1C#N 1650848223 WJBUGNRDTUJKCA-UHFFFAOYSA-N 257.381 3.888 30 20 CHED Cc1cnc(OC(C)C)c(N[C@H](C)CC(C)(C)C#N)c1 1664810945 MPRIPRLKRIVILU-CYBMUJFWSA-N 275.396 3.918 30 20 CHED O=C(O)c1ccccc1NN=C1CCCc2ccccc2C1 1776030830 VNPBHMWDEHBNCA-UHFFFAOYSA-N 294.354 3.732 30 20 CHED C=CCCCCCN1CCc2c(cc(F)cc2C(=O)O)C1 1776174403 JYVURPGIPFUPDX-UHFFFAOYSA-N 291.366 3.628 30 20 CHED C[C@H]1C/C(=C/c2cncc(C(=O)O)c2)C(=O)c2ccccc21 1776589635 PTTRBYLVVBKKFW-HKMIMPICSA-N 293.322 3.553 30 20 CHED C=CCCCCCN(C)c1cccc(C(=O)O)c1C 1776173449 HTCKFDRUUOWRAZ-UHFFFAOYSA-N 261.365 3.876 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 151026641 LZRABPVYYIOPMR-PBHICJAKSA-N 269.388 3.974 30 20 CHED Cc1cccc(C)c1NC(=O)c1c(F)cc(C#N)cc1F 152312041 BJTVKDHZWMRZJL-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CC#CCCSc1nnc(-c2ccccc2OCC)o1 155118337 HKFFXOCQPAMGCK-UHFFFAOYSA-N 288.372 3.641 30 20 CHED C=C[C@@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1 153882615 ODOIDDCPNHAQTJ-CYBMUJFWSA-N 259.393 3.607 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(OC)c(-c2ccccc2)c1 154276183 ZIBMKMLDSDRPHT-ZDUSSCGKSA-N 281.355 3.667 30 20 CHED CCC1(NC(=O)Nc2cccc(C#N)c2)CCCCC1 1202792949 WVILVDAEGWXKIS-UHFFFAOYSA-N 271.364 3.793 30 20 CHED Cc1cnc([C@H](C)N[C@H](C)c2cccc(C#N)c2)s1 135775074 FKAHPOKPKUJINO-NEPJUHHUSA-N 271.389 3.735 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1C 136271227 UTSKDLQZFSRAAH-ZDUSSCGKSA-N 284.281 3.892 30 20 CHED N#CC1(c2ccccc2)CC(Nc2ccc(Cl)nc2)C1 149421193 CELCHJFVJDVBDG-UHFFFAOYSA-N 283.762 3.771 30 20 CHED N#Cc1ccc(OCCOc2cccc(Cl)c2)cc1 34651485 OWYSFFMCQKTNGP-UHFFFAOYSA-N 273.719 3.669 30 20 CHED C[C@@H]1CCC[C@@H](C)N1CCCOc1ccc(C#N)cc1 34674290 LDAGUWZSONTKGS-HUUCEWRRSA-N 272.392 3.590 30 20 CHED CCS[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 285593587 BOCBCKLFFBVRDH-APHBMKBZSA-N 274.433 3.883 30 20 CHED CCN(CC)CCC[C@H](C)Nc1cccc(F)c1C#N 60991503 SLAINDKIOFBQPZ-ZDUSSCGKSA-N 277.387 3.620 30 20 CHED N#Cc1ccc(Cl)cc1Oc1ccccc1[N+](=O)[O-] 62790222 IXWQADZQGRUXLT-UHFFFAOYSA-N 274.663 3.912 30 20 CHED CC(C)(C)C[C@H]1CCN(Cc2cccc(C#N)c2F)C1 307777371 QUGMRGWJNZKBNW-CYBMUJFWSA-N 274.383 3.955 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 404262861 SRSKZDPBELPBPK-DUPGQFARSA-N 272.367 3.612 30 20 CHED CCCN(Cc1ccc(Br)cc1C#N)C(C)C 310287779 MTYHXTZPKZEDDZ-UHFFFAOYSA-N 295.224 3.941 30 20 CHED N#Cc1csc(CNC(C2CCC2)C2CCC2)c1 324601709 ADBWZMOPEUVTQA-UHFFFAOYSA-N 260.406 3.678 30 20 CHED N#Cc1ccccc1CN(Cc1ccccc1)CC(F)F 81575305 KZAOBVUZEOCBKF-UHFFFAOYSA-N 286.325 3.826 30 20 CHED N#CCCCOc1cccc(NCCC(F)(F)F)c1 354328372 UNCLBUGPOSJNMN-UHFFFAOYSA-N 272.270 3.733 30 20 CHED COC1(CCOc2cc(Cl)ccc2C#N)CCC1 336796347 RUBDSKOSZMEGCM-UHFFFAOYSA-N 265.740 3.550 30 20 CHED Cc1nc(COc2cc(C#N)ccc2C)c(C)s1 337664158 KRNACCNLSPZDPR-UHFFFAOYSA-N 258.346 3.519 30 20 CHED N#Cc1cnc(N(Cc2cccs2)C2CC2)c(Cl)c1 358883617 RYFSHXATUHIYGJ-UHFFFAOYSA-N 289.791 3.837 30 20 CHED C=CCOc1ccc(CNC[C@@H](C)C(F)(F)F)cc1 479607620 UQQMTGBULFRUPZ-LLVKDONJSA-N 273.298 3.539 30 20 CHED C#Cc1cccc(N(C)C(=O)C(C)(C)c2ccccc2)c1 103033225 BETQWVPDDNAYQJ-UHFFFAOYSA-N 277.367 3.609 30 20 CHED C[C@H]1CCC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 111143095 QLIJIXIWXJSHTR-GXSJLCMTSA-N 250.292 3.827 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCc3c(O)cccc32)c1 105487335 AZYORHVIGKWKCH-GOSISDBHSA-N 295.382 3.734 30 20 CHED C[C@H](CC#N)N(C)Cc1cnc(-c2ccccc2)s1 177371323 OPRULFYZVRMUMI-GFCCVEGCSA-N 271.389 3.544 30 20 CHED C#CCCCCC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 119978738 MKRGPOHZTPASRG-WBVHZDCISA-N 269.388 3.585 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCc2occc21 69606576 INGUAQXCIXNUKR-CQSZACIVSA-N 295.342 3.659 30 20 CHED N#CCCCCNC(=O)Nc1ccc2oc(C3CC3)nc2c1 171369530 PMEGNVAISRDSKQ-UHFFFAOYSA-N 298.346 3.521 30 20 CHED CC1CCC(N(C)c2nc(Cl)c(C#N)s2)CC1 310492171 GETPQVRJGYBGLU-UHFFFAOYSA-N 269.801 3.683 30 20 CHED CCc1nc([C@@H](C)NCc2ccc(C#N)cc2F)cs1 178790281 VBIGEKSIPQKRBB-SNVBAGLBSA-N 289.379 3.567 30 20 CHED N#CCCCOc1cccc(NCCOc2ccccc2)c1 178303873 BUFXFTMMFLKLTI-UHFFFAOYSA-N 296.370 3.860 30 20 CHED C=CCCCC(=O)Nc1c(C)cccc1OC(F)F 177795199 YCUFTFHFDJHXMD-UHFFFAOYSA-N 269.291 3.891 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(Oc2ccncc2)c1 112625452 NYCFITPDTMNVIK-UHFFFAOYSA-N 294.354 3.688 30 20 CHED CC[C@@H](Cc1ccccc1)NCc1cc(C#N)cs1 177695633 LUTWPTIFKJIAJZ-HNNXBMFYSA-N 270.401 3.731 30 20 CHED CC(C)[C@H](Nc1cccc(C#N)n1)c1nc2ccccc2[nH]1 301869063 WEGQQYZNODCHFL-INIZCTEOSA-N 291.358 3.639 30 20 CHED N#CC1(NC(=O)CCCC2CCCC2)CCCCC1 172947510 WQGFHRQSAREYKC-UHFFFAOYSA-N 262.397 3.690 30 20 CHED C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C#N)cc1 174312031 FHKXYBULJLIAMT-CYBMUJFWSA-N 291.354 3.537 30 20 CHED N#Cc1cccc(C#N)c1NCCc1ccccc1Cl 302906921 XHKPQTXQISTDHX-UHFFFAOYSA-N 281.746 3.738 30 20 CHED C=CCCC(=O)N[C@H]1CCc2c(Br)cccc21 68031247 OJTGZFKEERUEEC-ZDUSSCGKSA-N 294.192 3.519 30 20 CHED C[C@@H](NC[C@H]1C[C@H]2C=C[C@H]1CC2)c1ccc(OCC#N)cc1 402823784 XNYHKRKFPOZBQW-MXSMSXNCSA-N 296.414 3.842 30 20 CHED CCc1oc2ccccc2c1C(=O)Nc1ccc(C#N)cn1 120473253 QRBDUYBIQAMMJS-UHFFFAOYSA-N 291.310 3.514 30 20 CHED CC1CC(C#N)(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 126239097 HGIKGBDIQCDYAN-UHFFFAOYSA-N 283.158 3.872 30 20 CHED Cc1c(F)cccc1NC(=O)/C=C/c1ccccc1C#N 175333108 PKYGXVCLMPPBSX-MDZDMXLPSA-N 280.302 3.658 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 120355439 NEGWEAUNDPHZMO-LLVKDONJSA-N 284.746 3.954 30 20 CHED C[C@H](CCc1ccccc1)Nc1c(C#N)cccc1C#N 302478321 VUQORNSZVGKPFW-CQSZACIVSA-N 275.355 3.863 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OCC)cc1 120872710 JURQGFLORFYIEH-UHFFFAOYSA-N 259.349 3.792 30 20 CHED N#Cc1ccc(CNc2ccccc2Br)o1 122581033 IYOJOORHGGMTBD-UHFFFAOYSA-N 277.121 3.526 30 20 CHED CC(C)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C#N 71972753 AFLRCBYVYZNBRG-UHFFFAOYSA-N 270.376 3.639 30 20 CHED C[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1Br 181146176 HJODQBNBRIQRKY-QWRGUYRKSA-N 293.208 3.694 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2cccc(C)c2)c1 211775204 VESBKWVXQSQQCY-KTKRTIGZSA-N 279.339 3.850 30 20 CHED N#Cc1cc(NC(=O)c2sccc2Cl)ccc1F 126472036 VNSNQHNABDBVTG-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412121551 JKXFVXJNRAMGGR-ZWKOTPCHSA-N 296.414 3.867 30 20 CHED COc1cccc(/C=C/C(=O)c2sccc2OC)c1 184769674 NSGOJDKPMARHCZ-VOTSOKGWSA-N 274.341 3.661 30 20 CHED C=CCn1nnnc1S[C@@H](C)c1ccc(F)c(Cl)c1 505895028 SYJXUXGIXXIBGN-QMMMGPOBSA-N 298.774 3.505 30 20 CHED C=CCC1(NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CCCCC1 413846608 RPGOTVFERWMJBC-DLBZAZTESA-N 299.414 3.891 30 20 CHED CC[C@@H](C#N)N[C@H](Cc1ccccc1)c1cccs1 122242335 KMVLWNBKWGZOTH-LSDHHAIUSA-N 270.401 3.924 30 20 CHED N#Cc1cccc(CN[C@@H](C2CCCC2)C2CC2)c1 453071844 DOLZEJWRHURSTF-KRWDZBQOSA-N 254.377 3.617 30 20 CHED C[C@@H](C1CC1)n1cc(N[C@H](C)c2ccc(C#N)cc2)cn1 187492939 JXVYEJAQBCUPHR-OLZOCXBDSA-N 280.375 3.899 30 20 CHED N#C[C@H]1CCC[C@H](NCC2(c3ccc(F)cc3)CC2)C1 185783351 PQJGSDOSLKLLJQ-BBRMVZONSA-N 272.367 3.529 30 20 CHED C=CC[C@H](CC)NC(=O)CCSc1ccccc1F 410146995 GGKNOVCKUJJZQQ-LBPRGKRZSA-N 281.396 3.779 30 20 CHED COc1cc(C#N)ccc1CN[C@@H](C)[C@@H](C)c1ccccc1 183340079 GBONVQQGSLRXBQ-CABCVRRESA-N 294.398 3.849 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccccc1Cl 182604136 MFNACFRQXJCMQT-GFCCVEGCSA-N 265.784 3.744 30 20 CHED N#CC1(CCN(Cc2ccccn2)C2CC2)CCCCC1 411443289 LRCFJKVSPOBULV-UHFFFAOYSA-N 283.419 3.910 30 20 CHED Cc1ccc(C(C)(C)CN(C)[C@@H](C)CCC#N)cc1 411288316 CAYSMSLDKUDNHB-HNNXBMFYSA-N 258.409 3.897 30 20 CHED COc1ccc(CCN[C@@H](C)c2cccc(C#N)c2)cc1F 181678809 OUGSFZROQWJFGL-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2cc(F)ccc2C1 181388690 VTRVIVSDBLCHPR-CYBMUJFWSA-N 290.382 3.638 30 20 CHED Cc1cc(C)c(C#N)c(SC[C@@H]2CCC(C)(C)O2)n1 187656038 CPTMOOUKGYMPTN-LBPRGKRZSA-N 276.405 3.620 30 20 CHED N#Cc1c(F)cccc1Oc1cccc(-n2ccnc2)c1 77982025 KSNCMYCBVTYVHH-UHFFFAOYSA-N 279.274 3.675 30 20 CHED CCN1CC[C@H](N(C)CCC2(C#N)CCCCC2)C[C@H]1C 411307163 MOEFDDUDVQRTGE-SJORKVTESA-N 291.483 3.655 30 20 CHED C=CC[C@@H](C(=O)N(CC)CC(C)C)c1ccccc1 186594779 HCFPCUSUFOOCPG-MRXNPFEDSA-N 259.393 3.851 30 20 CHED CC1(C)CCC(/C(O)=N/Cc2noc(C3CC3)n2)CC1 328956251 NOHNXGJAEUUQJL-UHFFFAOYSA-N 277.368 3.620 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc(F)c(F)c(F)c1 131184741 RPADZWDBHXYRTI-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C[C@H](c1ccc(Cl)cc1)N(C)Cc1cc(C#N)n(C)c1 191226839 KNPYTXVJJYFLHF-GFCCVEGCSA-N 287.794 3.743 30 20 CHED C=CCC[C@H](NC1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 423000570 VOJSTJWFWVSABW-WFFDWFOESA-N 270.420 3.567 30 20 CHED O/C(C[C@@H]1CCCC[C@H]1O)=N/CCOC1CCCCCC1 329172195 ABVAVNAFCQITFJ-GOEBONIOSA-N 297.439 3.624 30 20 CHED O/C(=N/[C@@H]1CCc2c(O)cccc21)c1cccnc1C1CC1 329497644 FDDOFNQIRROKQW-OAHLLOKOSA-N 294.354 3.657 30 20 CHED CCCCCCCCCN1CCC(N(C)C(C)=O)CC1 191973932 XTAVBUKVBUWISC-UHFFFAOYSA-N 282.472 3.680 30 20 CHED C[C@@H]1C[C@H](NC(O)=Nc2cccc(C3CCC3)c2)CCO1 329796486 GYOGTCKGVNPMCL-MLGOLLRUSA-N 288.391 3.657 30 20 CHED CCCCCCCCCNC(=O)Nc1nnc(C)s1 132420977 SFSWKSPYGMETLM-UHFFFAOYSA-N 284.429 3.719 30 20 CHED C=CCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 81556015 UAWPBRSHUHJRJR-UHFFFAOYSA-N 286.762 3.681 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(F)c(Cl)c1 190863234 IICWBBBLMZGOJD-JTQLQIEISA-N 291.757 3.540 30 20 CHED Cc1nc(N[C@@H](C)c2ccc(C#N)cc2)sc1C 87302524 JGWRPMLZMFJXOK-JTQLQIEISA-N 257.362 3.805 30 20 CHED N#Cc1ccc(CNC[C@@H]2C[C@@H]2c2ccccc2)s1 176967976 QWJAGUXWPXKKKL-XJKSGUPXSA-N 268.385 3.513 30 20 CHED Cc1c(NC(=O)CC2CC(C)(C)C2)ccc(C#N)c1C#N 421560110 QCJLXVOXYKYVDG-UHFFFAOYSA-N 281.359 3.503 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 612244147 AZYJBGDABXWKCC-CQSZACIVSA-N 297.185 3.759 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H]1C 43040684 USLHBNPYSSIHEK-CKEIUWERSA-N 299.418 3.524 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccc(F)cc2F)CCC1 190626520 FKISSBZHIWURDB-NSHDSACASA-N 279.330 3.888 30 20 CHED Cc1cccc(C)c1OC[C@@H](C)NCc1ccc(C#N)cc1 517549382 MYNCHQHECYXVMX-MRXNPFEDSA-N 294.398 3.732 30 20 CHED O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccncc1 192761945 MYLWDARDNIBCBJ-SNAWJCMRSA-N 277.245 3.997 30 20 CHED CSc1ccccc1COc1ccc(C#N)cc1 511893409 XRTWAEIXUPQFFH-UHFFFAOYSA-N 255.342 3.859 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)C(C)(C)C)cc1 518832898 ZHRPTHMMEGSEGQ-SWLSCSKDSA-N 272.392 3.612 30 20 CHED N#CCCC1CCN(C(=O)c2coc3ccccc23)CC1 335384064 ARWHWWKGAWVXDM-UHFFFAOYSA-N 282.343 3.589 30 20 CHED CCCCCCCC[S@](=O)[C@@H](C)c1cnccn1 190851980 IPLYHSIGAXNIRB-UGSOOPFHSA-N 268.426 3.647 30 20 CHED COc1cc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)ccc1Cl 331212261 KBDMJZCGWCBBDE-NXEZZACHSA-N 282.771 3.863 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1nc(C(C)(C)C)no1 191569400 ISFHRCIJCOGUGD-NEPJUHHUSA-N 265.401 3.763 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3cccnc3)C2)cc1Cl 335398135 RXPYLGUXKQMPOP-CQSZACIVSA-N 283.762 3.601 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)c(OC(F)F)cc1C 424189810 DZMCWJJGKSLJCO-GXTWGEPZSA-N 294.345 3.687 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](CC)Cc1ccccc1C 425577388 FMXMWKTZYUIZBH-NVXWUHKLSA-N 286.419 3.714 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCCC[C@H]2SCC)CC1 428347433 HULWHUYVEMRKFS-LSDHHAIUSA-N 296.480 3.658 30 20 CHED C=CCC1(C(=O)NCCSc2ccccc2)CCC1 191139647 YMUVTFGQWIRDSJ-UHFFFAOYSA-N 275.417 3.641 30 20 CHED CC(C)CC[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 94591972 AEBQZFBZTJOUNQ-LLVKDONJSA-N 261.325 3.703 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1cccc(C)c1 429807099 DXJGIHODWFZHRZ-UHFFFAOYSA-N 273.420 3.991 30 20 CHED CC(C)Cc1ccc(CCCC(=O)N(CC#N)C2CC2)cc1 513852969 PUHMYGNUXWTENP-UHFFFAOYSA-N 298.430 3.722 30 20 CHED CC(=O)c1ccc(Oc2nccc(C#N)c2Cl)cc1 336481612 JBSUJYDWBVRVLF-UHFFFAOYSA-N 272.691 3.602 30 20 CHED CCC[C@H](C)[C@H]1CCCN1c1ccc(C#N)c([N+](=O)[O-])c1 515445665 SAELSWNPTMGYPC-SWLSCSKDSA-N 287.363 3.871 30 20 CHED C=CCOc1cccc(NC(=O)N2CCCC[C@@H]2C)c1 98029818 JKUASTSWOFLMBI-ZDUSSCGKSA-N 274.364 3.658 30 20 CHED C=CCC[C@@H](NCc1nc(C2CC2)cs1)C1CC1 90458994 CQXWUCSKQSEEND-CYBMUJFWSA-N 262.422 3.855 30 20 CHED N#Cc1ccc(CNCCOC2CCCCCC2)cc1F 421363914 MXKZFCJBDCEYAB-UHFFFAOYSA-N 290.382 3.526 30 20 CHED C[C@@H]1C(O)=Nc2cc(/C(O)=N/[C@@H]3CC=CCC3)ccc2N1C 330222276 MGXZEHNFARQVMA-DGCLKSJQSA-N 299.374 3.526 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccsc1 141279644 QDFVISNRYAGZDT-ZZXKWVIFSA-N 259.286 3.552 30 20 CHED C=CCC[C@H](NCCN1CCCCCC1)c1ccco1 514086864 DIKLWZZGRROTHF-INIZCTEOSA-N 276.424 3.753 30 20 CHED CC1(C)CCCC[C@H]1/N=C(/O)c1cc(O)cc([N+](=O)[O-])c1 330774676 GVPOIPDZHPTCEH-CYBMUJFWSA-N 292.335 3.574 30 20 CHED O/C(=N/[C@@H]1C=CCCC1)Nc1cc(Cl)c(Cl)cn1 330971564 HFMPZZDFSVXYAX-MRVPVSSYSA-N 286.162 3.823 30 20 CHED COc1ccc(/C=C\C(=O)c2ccsc2)cc1OC 98025290 RKPIVDJRGWSFOE-HYXAFXHYSA-N 274.341 3.661 30 20 CHED CC(C)(C#N)CNC(=O)NC(C)(C)CC1CCCCCC1 512893100 AODPJPFPWXYAHG-UHFFFAOYSA-N 293.455 3.974 30 20 CHED N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCc2ccccc21 97036809 RMUIOOAAAZVHFS-MRXNPFEDSA-N 295.317 3.506 30 20 CHED CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 336466054 JTLKBABJVNYEEM-CJNGLKHVSA-N 284.403 3.748 30 20 CHED Cc1cc([C@H]2CCCN2Cc2ccc(C#N)c(C)c2)on1 335340694 HVKCTTBQAYSINE-MRXNPFEDSA-N 281.359 3.500 30 20 CHED C=CCOCCCC(=O)N1CC=C(c2cccc(C)c2)CC1 92519074 CYTRLJYUDGFIQB-UHFFFAOYSA-N 299.414 3.594 30 20 CHED N#Cc1ccccc1COc1cnc2ccc(F)cc2c1 337940886 UZNJZYVTEPXYHG-UHFFFAOYSA-N 278.286 3.825 30 20 CHED CC[C@H]1CC[C@H](C)N1C(O)=Nc1cc(F)cc([N+](=O)[O-])c1 331000680 VURBSIQTQYJANJ-CABZTGNLSA-N 295.314 3.542 30 20 CHED CC1(C)COc2cc(NC(=O)c3sccc3C#N)ccc21 529645500 WPYZXVPHBUJYHN-UHFFFAOYSA-N 298.367 3.542 30 20 CHED C=CCC[C@@H](NCc1cc(OC)ccc1OC)C1CC1 439081305 YCBLLMIQFSWGML-MRXNPFEDSA-N 275.392 3.538 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 522645297 MYYKOHLFWFSOTR-HZSPNIEDSA-N 251.414 3.920 30 20 CHED C=CCC[C@@H](NC[C@H](OC)C1CC1)c1ccccc1 340487401 FBGWVMPLBHMVSY-SJORKVTESA-N 259.393 3.709 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 437976165 IYSRFIPNPYWBAS-SMDDNHRTSA-N 296.773 3.553 30 20 CHED N#CCCCCNCc1c(Cl)cccc1OC(F)F 609578314 AJZSVHYJGVSKRY-UHFFFAOYSA-N 288.725 3.725 30 20 CHED C=CCCCSCc1nnc(-c2ccc(OC)cc2)o1 437273342 XQHREFPFQNYZJZ-UHFFFAOYSA-N 290.388 3.945 30 20 CHED C=CCC[C@@H](NC(=O)N1C[C@H]2[C@@H](C1)C2(C)C)c1ccccc1 435104422 FWYKOLCQCWTBJZ-IXDOHACOSA-N 298.430 3.991 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccoc1C(=O)OC 348226331 KCHNUUYUOXDOIE-UHFFFAOYSA-N 299.370 3.645 30 20 CHED Cc1ccc(OCCCCNc2nc(C)ccc2C#N)cc1 346851059 NMPJRZWOKDEXHM-UHFFFAOYSA-N 295.386 3.841 30 20 CHED CC(C)c1nnc(CNc2ccc(C#N)cc2Cl)s1 295789799 AFVADSFCPZOZAJ-UHFFFAOYSA-N 292.795 3.799 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)NCC#Cc1ccccc1 605599622 YXINVXFKGMQGAH-OAHLLOKOSA-N 286.419 3.552 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(C)c1ccc(C#N)cc1F 609217110 VNZSNMSWAVEJSM-GXTWGEPZSA-N 288.366 3.877 30 20 CHED CCc1ccccc1NC(=O)CON=Cc1ccc(C)cc1 255037137 VRDPTNLGPIWMLT-UHFFFAOYSA-N 296.370 3.547 30 20 CHED CCc1nc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cs1 604492787 OKYHNODTMQAFCJ-LBPRGKRZSA-N 285.416 3.770 30 20 CHED COc1cc(C#N)cc(Cl)c1OC/C(Cl)=C\Cl 255846223 MPEZABAOIWTRJX-XBXARRHUSA-N 292.549 3.918 30 20 CHED CCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1 254320834 VRSCRTFMCNUMPA-UHFFFAOYSA-N 270.288 3.613 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)Cc2ccccc2)CC1 601988150 CVAPGKREPMSNGA-QGZVFWFLSA-N 271.404 3.680 30 20 CHED Cc1nc(CN(CC(C)C)c2ccc(C#N)cc2)cs1 340697430 PTTYBGZNEXFFKD-UHFFFAOYSA-N 285.416 3.986 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(N(C)C(C)C)c1 341619940 FSHUDTMPNALANV-UHFFFAOYSA-N 275.396 3.571 30 20 CHED FC(F)(F)c1csc(CON=Cc2cccs2)n1 255903479 QGRSMWUYBMHNGY-UHFFFAOYSA-N 292.307 3.774 30 20 CHED CC(C)(C)Oc1ccc(CNc2cccc(C#N)n2)cc1 609892301 SEXXBSRPRHZIKP-UHFFFAOYSA-N 281.359 3.743 30 20 CHED Cc1nc(CSc2ccccc2C#N)c(C)s1 443513978 DMLNPTJGYVVCMJ-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C=C(CC)CNc1cc(F)ccc1OC[C@H]1CCCO1 539096025 YZORERJUSVUAQY-CQSZACIVSA-N 279.355 3.762 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC1(C#N)CC1 538349827 OWMPNOIIGIRVHS-IRXDYDNUSA-N 268.404 3.948 30 20 CHED C=C(CNC(=O)NCCCCCSC)c1ccccc1 355184981 WFSPEGUFPMCOBD-UHFFFAOYSA-N 292.448 3.532 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccccc2N2C[C@H]3CC[C@H]2C3)C1 442859696 QTVASCGRRBTFDD-JONQDZQNSA-N 281.403 3.779 30 20 CHED C=CCC[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccco1 353444449 USDCZHLVIKQMLG-OAHLLOKOSA-N 299.374 3.567 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1C 538367953 SOCPKDBNIWZJHM-SOUVJXGZSA-N 266.429 3.951 30 20 CHED C=C(C)COCCN[C@@H]1c2cccc(F)c2CC[C@@H]1C 539060534 TUQBHGKPTQXDQD-GUYCJALGSA-N 277.383 3.631 30 20 CHED CN(CC#Cc1ccc(OC(F)(F)F)cc1)CCC1CC1 441244948 LFPHLJMCLOXNEB-UHFFFAOYSA-N 297.320 3.669 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1(C)Cc2ccccc2C1 537273360 WHKCPFONFWHIDS-CQSZACIVSA-N 286.419 3.588 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1C(=O)NCC(C)(C)C#N 611636899 DSMXRDAHQQLZNN-INIZCTEOSA-N 299.418 3.501 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 534138513 SJZHPLCPWFGWAY-STQMWFEESA-N 272.392 3.808 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@H](C)c1ccc(F)cc1 536080050 KUXXZQIFEILIHQ-SUMWQHHRSA-N 290.382 3.764 30 20 CHED Cc1c(F)cccc1N[C@@H](C#N)Cc1ccccc1 610411828 VOJGXJUIOCDWEC-CQSZACIVSA-N 254.308 3.681 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(C#N)cc2C)cc1 614396072 UMMGRVGAJHJONM-UHFFFAOYSA-N 294.398 3.897 30 20 CHED C[C@H](c1ccncc1)N1CC=C(c2ccc(C#N)cc2)CC1 611245199 FWFBRPUSPNILAP-OAHLLOKOSA-N 289.382 3.804 30 20 CHED C=CCC[C@H](NC(=O)Cc1ccc(C)o1)c1ccccc1 533588261 SCULOQXMOJNAFE-KRWDZBQOSA-N 283.371 3.954 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCC(F)(F)C1 619535307 AHYRZXFBCKUONK-CZUORRHYSA-N 290.357 3.961 30 20 CHED C=CCC[C@@H](CCC)NCc1nnc(C(C)C)s1 358268717 SMLYTYJOGREEQZ-GFCCVEGCSA-N 267.442 3.886 30 20 CHED C=CCN1CC[C@H](SCc2cccc3ccccc23)C1=O 619585464 QWZUBJJFOYNOIZ-KRWDZBQOSA-N 297.423 3.860 30 20 CHED C=C1CCN(C(=O)c2cnn(C(CC)CC)c2CC)CC1 359615957 ANWLWNFVSNFSQZ-UHFFFAOYSA-N 289.423 3.599 30 20 CHED COc1ccc2c(OCc3ccccc3C#N)ccnc2c1 610211086 XJINAKDDVSWPAD-UHFFFAOYSA-N 290.322 3.694 30 20 CHED Cc1ccc(C2(CNC[C@H](C#N)CCC#N)CCC2)cc1C 618948525 ZNGQFPUCCIQPKX-KRWDZBQOSA-N 295.430 3.758 30 20 CHED C=CCCCN[C@H](c1ccc2c(c1)OCCO2)C(C)C 539244831 ZYFCNPHRQWEEEP-KRWDZBQOSA-N 275.392 3.711 30 20 CHED C/C=C\c1ccc(NC(=O)N(CCC#N)CC2CC2)cc1 353259986 IEZMTQZFUMHHCV-RQOWECAXSA-N 283.375 3.877 30 20 CHED N#Cc1ccc(SCCCCCn2cccn2)c(F)c1 358076175 IFLVQSZWLXJXDL-UHFFFAOYSA-N 289.379 3.856 30 20 CHED C[C@]1(C#N)CCCN([C@H]2CCCc3ccc(F)cc32)C1 612167036 UMVHNGVQBHKQEA-DLBZAZTESA-N 272.367 3.829 30 20 CHED C=CCN(C(=O)c1cc2ccccc2s1)[C@H](C)COC 617574792 IVZVVGWBZCRVGO-GFCCVEGCSA-N 289.400 3.564 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cccc(OC(C)(C)C)n1 539047107 RVVVWGBZZBNUEM-KGLIPLIRSA-N 276.424 3.949 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2scnc2C(C)C)C1 617777442 PENFABWTLAKJNZ-GFCCVEGCSA-N 278.421 3.695 30 20 CHED C=C1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1 264171815 MDHCBXBHHDPNBW-UHFFFAOYSA-N 292.382 3.904 30 20 CHED Cn1cc(CN2CCCC3(CCCCC3)CC2)cc1C#N 361605121 VIBZPIWOYJOUOA-UHFFFAOYSA-N 285.435 3.833 30 20 CHED C=C(CC)COc1ccccc1OCC(F)(F)F 537992887 DLGKPQUBNDXYIW-UHFFFAOYSA-N 260.255 3.973 30 20 CHED CC(C)(C#N)CCCCN[C@H]1CCc2ccccc2OC1 367220695 XIWKJUXMYAYVNH-INIZCTEOSA-N 286.419 3.690 30 20 CHED N#CCCCC(=O)Nc1ccc(Oc2cccnc2)cc1 360632007 GZJLDOIMLXVQIP-UHFFFAOYSA-N 281.315 3.506 30 20 CHED C[C@@H](CCNC(=O)N1CCC[C@@](C)(C#N)C1)CC(C)(C)C 615477838 HGCMPSQJDJHZHL-YOEHRIQHSA-N 293.455 3.784 30 20 CHED CCc1ccc(C2=CCN(C(=O)CC(C)(C)C#N)CC2)cc1 278654462 DWZPWDLBLPTTIG-UHFFFAOYSA-N 296.414 3.805 30 20 CHED C=CCC[C@@H](CC)Nc1cc(C#N)ccc1OCCOC 541558479 ARTMXJNWTNDHIF-OAHLLOKOSA-N 288.391 3.740 30 20 CHED CC1(c2ccccc2)CC(NCc2ccc(C#N)c(F)c2)C1 459562834 PTOJKZUIXHDGPV-UHFFFAOYSA-N 294.373 3.907 30 20 CHED C=CCC1(NC(=O)[C@@H](C)Sc2ccccn2)CCCC1 619107556 DXYGKQTWFVJDOJ-CYBMUJFWSA-N 290.432 3.567 30 20 CHED CCCCCOc1cc(CNCCCC#N)ccc1OC 273059462 MDINPDBJUGYCRE-UHFFFAOYSA-N 290.407 3.658 30 20 CHED C=C(CNC(=O)CCCC(F)(F)F)c1ccccc1 360213212 NHTRGKXOVPYOII-UHFFFAOYSA-N 271.282 3.549 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 278615727 FXAFHSMSOVEOBD-LXZKKBNFSA-N 254.377 3.654 30 20 CHED C=CCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 361482116 UTDCMYPWGGIFHH-UHFFFAOYSA-N 274.320 3.588 30 20 CHED C=C(CNC(=O)c1ccoc1C(C)C)c1ccccc1 360215087 ZJPMMQKIKCDIJI-UHFFFAOYSA-N 269.344 3.846 30 20 CHED C=CCCC1(C(=O)N(CC=C)Cc2cccc(C#N)c2)CC1 361628968 JVPLZOLUZBBPJK-UHFFFAOYSA-N 294.398 3.819 30 20 CHED CC(C)c1ccc(CCC(=O)NCC(C)(C)CC#N)cc1 457983548 APPCJHDBUCITFM-UHFFFAOYSA-N 286.419 3.799 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(C#N)cc1 360997628 SYRMTHZODDXAOE-WFASDCNBSA-N 270.376 3.503 30 20 CHED C=CCCN(C)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 276214668 CPJZSWYZSKCTAP-UHFFFAOYSA-N 296.292 3.835 30 20 CHED Cc1nccn1CCCS[C@@H](C)c1cccc(C#N)c1 276141252 CFFFCUNOZXOBEN-ZDUSSCGKSA-N 285.416 3.948 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C 464160665 YVSOIEHOHAXQBQ-XHDPSFHLSA-N 252.402 3.503 30 20 CHED CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)s1 466254911 KUNZFXBMXZFDAP-CQSZACIVSA-N 296.395 3.597 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)C1C[C@H]3CCC[C@H](C1)C3)CC2 469685703 YCRDYJHOBDZTAY-KBPBESRZSA-N 294.398 3.664 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)CCC1CCCCC1 466404407 KVQXCUJVAWPWQP-OAHLLOKOSA-N 266.429 3.953 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 282352815 PKQMAUXZQOSQBI-MISXGVKJSA-N 293.208 3.792 30 20 CHED COc1ccc(C#N)cc1CN1CC(C)(C)[C@@H]2CCC[C@@H]21 378830464 JRPXESFMILUKRB-CVEARBPZSA-N 284.403 3.577 30 20 CHED C#CCCCCN[C@@H]1CCC[C@@H](c2ncccc2C)C1 281652018 PSSHXDJGWYWIIL-IAGOWNOFSA-N 270.420 3.809 30 20 CHED C=CCOCCCC(=O)N(CC=C)CC1CCCCC1 463845158 RQBXDRVVADUQML-UHFFFAOYSA-N 279.424 3.564 30 20 CHED C=CCCN(C)C(=O)NCCCSc1ccc(F)cc1 466935221 SVBVXYJUGLWPGF-UHFFFAOYSA-N 296.411 3.525 30 20 CHED C[C@@H](C(=O)NCCC1=CCCCC1)c1cccc(C#N)c1 461743159 RUQCPWPTJQMRGR-CQSZACIVSA-N 282.387 3.668 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)NCC(C)(C)CCC#N 558491329 ZRYHKLAUFZLAHQ-HUUCEWRRSA-N 293.455 3.974 30 20 CHED C[C@H]1CCN(c2cnccc2C#N)CC12CCCCC2 462697280 CEWKSBMTVOBOCD-AWEZNQCLSA-N 269.392 3.750 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)c(O)cc2F)CCCCC1 286895706 MLIGVKQVHWEKFP-UHFFFAOYSA-N 296.729 3.597 30 20 CHED C=CCOCCN1CCC[C@@H]1c1cccc(C)c1C 559105837 IDRVINMJESRIOF-QGZVFWFLSA-N 259.393 3.643 30 20 CHED C=CCOc1ccccc1CN[C@@H](COC)c1ccccc1 558239960 CJWYZHKYAXNDMP-SFHVURJKSA-N 297.398 3.729 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(c2)CCCO3)CC1 475536971 LSWNXBMMDQADEF-UHFFFAOYSA-N 271.360 3.697 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H](CCC)C1 472835539 RZCHGLAXWSCIKT-CQSZACIVSA-N 252.402 3.564 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)C1CCC(C(F)(F)F)CC1 474893624 DRQZEWJSFANZTQ-FEPKRQSRSA-N 293.373 3.518 30 20 CHED CC#CCN1CC=C(c2c(C)[nH]c3ccccc23)CC1 471161917 UBSMXFKUZPLKSY-UHFFFAOYSA-N 264.372 3.589 30 20 CHED C=CCCCCNC(=O)C[C@@H](C)c1ccccc1F 471701115 GCALHSROJLLRQT-CYBMUJFWSA-N 263.356 3.792 30 20 CHED C=CCOc1cccc(CN[C@H]2CC(C)(C)OC2(C)C)c1 478263393 WFAZQSXRDODHED-INIZCTEOSA-N 289.419 3.687 30 20 CHED C=CCOc1ccc(CNC(=O)CC[C@H](C)CC)cc1 557058422 BZAWSOWPGDQRIW-CQSZACIVSA-N 275.392 3.694 30 20 CHED C#CC[C@H](Nc1cc(C)nc(CC)n1)c1ccccc1 804578723 JOBIBHKXMJGUQY-HNNXBMFYSA-N 265.360 3.524 30 20 CHED C=CCCCCNC(=O)C[C@@H](C=C)c1ccccc1 471717435 QHBTVYJJCXEJKF-OAHLLOKOSA-N 257.377 3.819 30 20 CHED C=CCCCCNC(=O)NCc1nc(C(C)(C)C)cs1 472849852 NXMIDQQPLKCTQX-UHFFFAOYSA-N 295.452 3.596 30 20 CHED Clc1ccc(C#CCN2CC[C@@H](c3ccncc3)C2)cc1 647933876 JMGWSCUVXYFPCO-QGZVFWFLSA-N 296.801 3.576 30 20 CHED C=CCCCCCN(C)CC1CN(C(=O)OC(C)(C)C)C1 800346606 ZYOVSFZSTBZTIS-UHFFFAOYSA-N 296.455 3.532 30 20 CHED C#C[C@H](NC(=O)[C@H]1CC[C@H](C)C1)c1ccc(Cl)cc1F 804421339 MNRWOVJECBHHKY-PGUXBMHVSA-N 293.769 3.706 30 20 CHED C#C[C@@H](C)N[C@H](C)CCCOc1ccc(Cl)c(C)c1 809684119 OMHGLLUXEPEZFF-ZIAGYGMSSA-N 279.811 3.807 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(F)ncc2F)cc1 806565659 QVFYBTAMTYORMX-VOTSOKGWSA-N 259.255 3.564 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1c(F)cccc1F 294283994 YBIUIOZBPURGIO-OAHLLOKOSA-N 267.319 3.526 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)[C@H](C)C1CCCCC1 562036143 HJXSRGUBIXHEJH-UONOGXRCSA-N 271.408 3.648 30 20 CHED C#C[C@H](NC(=O)[C@@H]1CC[C@H](C)C1)c1ccc(Cl)cc1F 804421341 MNRWOVJECBHHKY-RWSFTLGLSA-N 293.769 3.706 30 20 CHED COc1cccc(C(C)=NNc2nccnc2C2CCC2)c1 807992215 CWEHRQKZZAQHMU-UHFFFAOYSA-N 296.374 3.589 30 20 CHED C=CCCCC(=O)OCc1ccc(Cl)nc1Cl 800177411 FOAYMTHDLREXCX-UHFFFAOYSA-N 274.147 3.788 30 20 CHED C#Cc1ccc(CN[C@H](C)[C@@H](OC)c2ccccc2F)cc1 809631971 KNCMDJMBJMSJJS-AUUYWEPGSA-N 297.373 3.673 30 20 CHED Cc1cc(CSCCO[C@H](C)C#N)c(C)s1 802749770 MSXWPMXGOWLCPV-SECBINFHSA-N 255.408 3.527 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)nc1 566018036 SIWNXCKABQEIQW-QGZVFWFLSA-N 297.789 3.944 30 20 CHED C=C(Cl)CNC(=O)c1cc2cccc(C)c2s1 808395332 JEYWNBOGENYUKQ-UHFFFAOYSA-N 265.765 3.692 30 20 CHED CCCc1nc(C(=O)Oc2cc(C)c(C#N)c(C)c2C)co1 809035623 IFSIAKUDGBAFPU-UHFFFAOYSA-N 298.342 3.643 30 20 CHED N#Cc1cccc(OCCCNc2ccc(F)cc2)c1 477587422 FTCKPCSUVIPNMF-UHFFFAOYSA-N 270.307 3.578 30 20 CHED N#Cc1ccnc(N2CCC(c3cccc(Cl)c3)CC2)c1 561308304 PMSAWHDOEBYNGE-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C/C=C/c1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1 564201336 LQINTWXKSUZHJC-NSCUHMNNSA-N 291.354 3.642 30 20 CHED C=C[C@@H]1CCCCN1C/C=C\CN1CCCC[C@H]1C=C 489437284 NUOKIHNIAUYHJE-ZWHYWQQASA-N 274.452 3.624 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](C4CC4)C3)c2c1 487107843 IFRCANJZFZUADK-OAHLLOKOSA-N 291.398 3.960 30 20 CHED N#CCc1ccc(COc2cccc3ncccc23)cc1 399066862 MOUOZVYOBIWNJI-UHFFFAOYSA-N 274.323 3.880 30 20 CHED C=CCC(CC=C)C(=O)OCc1c(C)nsc1C 816343633 NIPQPPKYMJPDDY-UHFFFAOYSA-N 265.378 3.572 30 20 CHED N#CCc1ccc(COC(=O)[C@@H]2CC3CCC2CC3)cc1 814496027 KDMDZBPCEGETMW-BDVYOWHSSA-N 283.371 3.622 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2ccsc2)CCC1 568943194 TXTCFBDLCBOXLL-LBPRGKRZSA-N 263.406 3.542 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)o1 486895075 BVVSTEIPLSMFAN-CVEARBPZSA-N 280.371 3.967 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(C)nc2C)cc1 814984949 YFXXTBKLNVKJJD-UHFFFAOYSA-N 283.375 3.933 30 20 CHED C#CC[C@H](OC(=O)c1ccc(C(C)C)cn1)c1ccccn1 810570111 WFPNNKBTPGGIQA-KRWDZBQOSA-N 294.354 3.521 30 20 CHED C=C1CCN(C(=O)C2(c3ccccc3Cl)CCC2)CC1 651263765 HQYXPURKVTWSFD-UHFFFAOYSA-N 289.806 3.940 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccc(O)cc2CC)cc1 816467114 ORXQURMQXKUTHK-UHFFFAOYSA-N 293.366 3.507 30 20 CHED N#Cc1cncnc1SC1CCC(C(F)(F)F)CC1 574914082 XYDDXCGGLSNJES-UHFFFAOYSA-N 287.310 3.561 30 20 CHED COc1cc(C)nc(NN=C2CCCCC23CCCC3)n1 814862522 NKDXGNVWTXCLFS-UHFFFAOYSA-N 288.395 3.696 30 20 CHED CSc1ccc(C=NNc2ccc(C(=O)O)cc2)s1 814680630 ANRGCEMOWUUEFR-UHFFFAOYSA-N 292.385 3.614 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(C#N)c(C)c1 488124409 JTMVSKYHAYQBIS-CQSZACIVSA-N 276.449 3.830 30 20 CHED Cc1c(CSC(C)C)cccc1NC(=O)NCCC#N 488486634 NWWARRYLAHZAEZ-UHFFFAOYSA-N 291.420 3.672 30 20 CHED Cc1ccc(C(=O)NC(C)(C)c2ccccc2F)cc1C#N 817039755 NRPDHDJCJPSOFL-UHFFFAOYSA-N 296.345 3.671 30 20 CHED CC(=NNCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 729146085 KNSHFXJTQWPDMP-UHFFFAOYSA-N 297.358 3.541 30 20 CHED CC(=NNc1nccnc1Cl)c1cccc(C2CC2)c1 814850320 IVOPXCTVVGGRNU-UHFFFAOYSA-N 286.766 3.844 30 20 CHED Cc1csc(NC(=O)N(C)[C@@H]2CC[C@H](C)C2)c1C#N 576834737 QKMXDCSIQKMTCC-GXSJLCMTSA-N 277.393 3.581 30 20 CHED C#C[C@@H](NC(=O)N(C)C(C)(C)CC)c1ccc(Cl)cc1 810099773 OLIBMNNTKHZRBQ-CQSZACIVSA-N 292.810 3.844 30 20 CHED C=CCCN[C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 658113442 HGKDSQRRDRZCTN-CVEARBPZSA-N 279.811 3.596 30 20 CHED Cc1ccc([C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)s1 822717074 VOICRAVSOLBKAD-LRDDRELGSA-N 288.416 3.708 30 20 CHED Cc1ccc2c(c1)CN(C(=O)c1ccc(C#N)c(Cl)c1)C2 579184362 GAICPHIGSCOISI-UHFFFAOYSA-N 296.757 3.676 30 20 CHED C[C@@H](CC(C)(C)C)Nc1ccc(F)cc1OCC#N 824125318 HYQPAWNWNUWVMI-NSHDSACASA-N 264.344 3.965 30 20 CHED C=CCCC(CC)=NNc1cnc2ccccc2n1 727257684 YBOVPDMJDZAVGE-UHFFFAOYSA-N 254.337 3.774 30 20 CHED CCC[C@H](C(=O)Nc1ccccc1CC#N)C(C)C 577558371 NIPOADCIOKGOOE-AWEZNQCLSA-N 258.365 3.763 30 20 CHED C=C(C)COC(=O)c1cc2c(OC(F)F)cccc2[nH]1 825340761 PNZVSTSUBWXXHO-UHFFFAOYSA-N 281.258 3.502 30 20 CHED C#C[C@H](NC(=O)N(C1CCCCC1)C1CC1)c1ccccc1 820598555 DAQKAONWAMECEM-SFHVURJKSA-N 296.414 3.868 30 20 CHED Cc1csc(NC(=O)N[C@H]2CCCC[C@@H]2C)c1C#N 581413512 WGOXTHHGIPSGAF-CABZTGNLSA-N 277.393 3.628 30 20 CHED C=CCCNC(=O)N(Cc1ccc(OCC)cc1)C(C)C 665945141 FDUDNGADNMJYGS-UHFFFAOYSA-N 290.407 3.581 30 20 CHED C=C(C)CONC(=O)Nc1cc(C)ccc1C(F)(F)F 825435956 MDAVTYVUPMRJRD-UHFFFAOYSA-N 288.269 3.643 30 20 CHED C=CCCC[C@H](N)c1nc([C@@H](C)c2cccs2)no1 904617314 TZUYNUPLYYXTHL-QWRGUYRKSA-N 277.393 3.639 30 20 CHED Cc1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1F 731565114 FJWIBGMFOPEHFW-WUXMJOGZSA-N 286.277 3.932 30 20 CHED C[C@H](c1ccccc1)N(C)CCOCc1ccc(C#N)cc1 580798180 WXCXHYUUTFXKTD-MRXNPFEDSA-N 294.398 3.768 30 20 CHED CC(=NNc1c(C)cccc1Cl)c1cn(C)nc1C 835011381 PPOGIUNZMBDQTB-UHFFFAOYSA-N 276.771 3.526 30 20 CHED COc1ccc(Cl)c2c1CCC[C@H]2NCCCC#N 903147063 DJVDBAPZHOKQIW-CYBMUJFWSA-N 278.783 3.619 30 20 CHED C#CCC[C@H](C)OC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 839037248 PHMFGSSACZKTMZ-RJQUXWJSSA-N 278.367 3.640 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(OCCC(C)C)c1 736968409 DLBLNGVBJBITNL-UHFFFAOYSA-N 296.798 3.986 30 20 CHED C[C@H](Nc1cc(C#N)ncn1)c1ccc(F)c2ccccc12 588854836 YRFRUPXEVFIFDA-NSHDSACASA-N 292.317 3.814 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cnc3ccsc3c2)C1 839050645 CHTOMINMJIUSSO-PWSUYJOCSA-N 286.356 3.535 30 20 CHED C=CCOc1c(Cl)cc(Cl)c(Cl)c1C(=O)O 736109346 JSINNSISXLHXLT-UHFFFAOYSA-N 281.522 3.910 30 20 CHED Cc1cc(N2CCC(CC#N)CC2)c2cccc(F)c2n1 581031252 VOGUPXQYVSSBTJ-UHFFFAOYSA-N 283.350 3.812 30 20 CHED N#CC1(CCCCOC(=O)c2ccc3[nH]ccc3n2)CCC1 909502905 OSCHBEQMWKMXSE-UHFFFAOYSA-N 297.358 3.584 30 20 CHED C=CCN(C(=O)Nc1c(C)cccc1CC)[C@H](C)COC 665126856 YJPSZLYHYFTHJU-CQSZACIVSA-N 290.407 3.612 30 20 CHED Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)C#CC2CC2)cc1 837432090 XOLCVYIGWXQSLM-HNAYVOBHSA-N 281.399 3.708 30 20 CHED OCCCCCC/N=C\c1c(O)ccc2ccccc12 588384482 CZAOZVDBCNKBQM-AQTBWJFISA-N 271.360 3.517 30 20 CHED Cc1cc([C@@H](C)NC(=O)CCCCCC#N)ccc1F 588160951 XAOCMXNUGNNYFN-CYBMUJFWSA-N 276.355 3.785 30 20 CHED CC(=NO[C@@H](C)c1nc(C(C)C)no1)c1ccc(F)cc1 902856276 HLRQBZMEKFNLHF-NSHDSACASA-N 291.326 3.834 30 20 CHED CC(C)[C@H]1C[C@@H](NCC2(C#N)CC2)c2ccccc21 903106878 XSWMJNMIMSFNNO-HZPDHXFCSA-N 254.377 3.764 30 20 CHED CC(C)C#CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 830619532 IXHSJLFHKTWTAR-MRXNPFEDSA-N 291.341 3.678 30 20 CHED COCC#CCN(C)[C@H](C)c1ccc(Cl)c(Cl)c1 677818943 YTKYVLQIZDBBME-LLVKDONJSA-N 286.202 3.636 30 20 CHED CC(C)(C)C#CC(=O)N1CC[C@H]1c1ccc(Cl)cc1 837441845 ZQVGZPCSJHAALA-AWEZNQCLSA-N 275.779 3.663 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(C(=O)C#Cc2cccs2)C1 832450089 BARNEXLHECHBQJ-WMLDXEAASA-N 295.407 3.709 30 20 CHED Cc1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1F 731565113 FJWIBGMFOPEHFW-SDQBBNPISA-N 286.277 3.932 30 20 CHED Clc1nccnc1NN=C(CC1CC1)c1ccccc1 735973889 VXHFOMNXWSIFKE-UHFFFAOYSA-N 286.766 3.746 30 20 CHED CC(C)(C)n1cc(/C=C\C(=O)c2csc(Cl)c2)nn1 588580195 GSHPEZYNPJPANH-PLNGDYQASA-N 295.795 3.644 30 20 CHED C=CCCCOC(=O)Cc1c(C)nc2ccccc2c1C 735523244 HBLKUOOLWOUQLR-UHFFFAOYSA-N 283.371 3.904 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C[C@H]1CCOC1 739525999 SMUDYUBBFFRLKO-LSDHHAIUSA-N 269.429 3.526 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)C1CCCCC1 582757322 HTQOCOXPWSHHQB-CQSZACIVSA-N 287.403 3.950 30 20 CHED C=CCCCN(C)[C@]1(c2ccccc2)CCCCC1=O 580907444 MEBKVKKPBAOUFV-SFHVURJKSA-N 271.404 3.923 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1cccc(F)c1 915975923 MKCHNPZYTNYKCN-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C=CC(C)(C)COC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 835723180 PVHQQIDRKWVPHK-ZIAGYGMSSA-N 268.397 3.583 30 20 CHED CCCn1c(C=NNCc2ccccc2)nc2ccccc21 917539917 FWYWIWBAJNFAEZ-UHFFFAOYSA-N 292.386 3.570 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 839604308 BVPOPDWWLCUGIV-HUUCEWRRSA-N 299.418 3.546 30 20 CHED N#Cc1cccnc1N[C@@H](CCc1ccccc1)C(F)F 599141421 MRCZSIFRYKWDQT-AWEZNQCLSA-N 287.313 3.632 30 20 CHED CC(C)(C)C#CC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 837669144 ALUSTIZEFLHJAM-KRWDZBQOSA-N 281.399 3.790 30 20 CHED Fc1ccc(CNN=Cc2ccc(Cl)s2)cc1F 915976543 LWZDVXVNXBQEAG-UHFFFAOYSA-N 286.734 3.803 30 20 CHED Cc1cnc(CON=Cc2ccc(C(C)(C)C)cc2)o1 742348498 HQFQJSGVYKFUHT-UHFFFAOYSA-N 272.348 3.831 30 20 CHED CC(C)(C#N)C[C@H](O)CNc1cccc2ccsc12 598726163 OKLZOLYZUITADK-LBPRGKRZSA-N 274.389 3.614 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(CSC)cc2)n1 596107941 JJHPTDKLLLVWQD-UHFFFAOYSA-N 284.388 3.517 30 20 CHED COc1cc(C=NNc2ccc(C)cc2)cc(Cl)c1O 916250114 KUIHORBSECAFCS-UHFFFAOYSA-N 290.750 3.809 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)N(C)CCC#N 742577777 JFHFXCSYJUIBFF-OAHLLOKOSA-N 252.402 3.745 30 20 CHED CCN(C(=O)C[C@H](c1ccccc1)C(C)C)[C@@H](C)C#N 598357721 BBAIGMHMRYIJBG-HOCLYGCPSA-N 272.392 3.577 30 20 CHED C[C@@H](C#N)N(Cc1cc(Cl)ccc1Cl)C1CC1 595708879 AGYLAWYKWBYXPT-VIFPVBQESA-N 269.175 3.870 30 20 CHED Fc1ccc(C=NNc2ncc(Cl)cc2Cl)cc1 916317059 XMGIKIMIIXYACM-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CCN(C(=O)c1cc(C(C)C)nc2ccccc12)[C@H](C)C#N 598883468 VVAXBNFTBKJZJA-CYBMUJFWSA-N 295.386 3.732 30 20 CHED N#C[C@]1(C(=O)NCc2ccc3occc3c2)CC12CCCC2 597975885 ONBJUHXGEIQWGU-SFHVURJKSA-N 294.354 3.523 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)CCc2cc(O)ccc21 748998614 RJKLOUHDFHARAV-KPKJPENVSA-N 285.730 3.653 30 20 CHED Cc1cc(F)ccc1-c1ccc(C=NNCC(F)F)o1 740617325 GOQPKUHDXSXLGZ-UHFFFAOYSA-N 282.265 3.583 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2nsc3ccccc23)C1 912389091 OSFLMLUNPWILSI-GFCCVEGCSA-N 286.400 3.725 30 20 CHED CCOc1ccc(/C=N\[C@H](C)Cc2ccsc2)c(O)c1 918713143 VURFTODCPHJNFN-HJPCULJESA-N 289.400 3.903 30 20 CHED CCO[C@H](CC)c1noc(-c2ccc(C#N)c(Cl)c2)n1 596622409 ZWNCHNPZHPTHHF-GFCCVEGCSA-N 291.738 3.749 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1C 742436940 ORZPJVPMZZQGBW-CLTKARDFSA-N 294.350 3.930 30 20 CHED C/C(=C/C(=O)N(CCC#N)Cc1ccco1)c1ccccc1 749378407 CJQGTTFBJWTKBM-SQFISAMPSA-N 294.354 3.625 30 20 CHED CO[C@H](C=NNc1ccc(C(F)(F)F)cn1)CC(C)C 841605114 WMRBLISYZLDHPF-NSHDSACASA-N 289.301 3.559 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](CC#N)C1 597909531 MZXMXSMNAXKOHN-QZTJIDSGSA-N 298.430 3.654 30 20 CHED CCn1c(S[C@H](C#N)c2ccccc2)nnc1C1CC1 594882201 QYYURHQJSKRJJP-CYBMUJFWSA-N 284.388 3.532 30 20 CHED N#CCC1(CNc2c(F)cccc2N2CCCC2)CC1 594706455 ZHGUEMUTROXLPZ-UHFFFAOYSA-N 273.355 3.532 30 20 CHED Cc1cc(CS[C@H](C)c2ccc(C#N)cc2)nc(C)n1 596343010 PUFAZPREGGADCU-GFCCVEGCSA-N 283.400 3.960 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)/C=C\c2ccccc2C#N)C1 919866672 NWYLBOIBSINQTN-KMUBWGIJSA-N 282.387 3.514 30 20 CHED Fc1ccc(F)c(CNN=Cc2cccc3cccnc23)c1 915978119 ARTANPVZULJYAF-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C=C(C)CNC(=S)N(Cc1ccc(CC)cc1)C1CC1 916008442 YFGPPYBAIFAOTQ-UHFFFAOYSA-N 288.460 3.664 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCOc2ccccc21 747061091 AMVAQOJNUAUSCJ-UHFFFAOYSA-N 297.314 3.502 30 20 CHED CCc1nc(Sc2nc(C)ccc2C#N)sc1C 593481597 IKNZBZNLRYNWSD-UHFFFAOYSA-N 275.402 3.740 30 20 CHED N#CCCC[C@H](NC(=O)N[C@@]12CCC[C@@H]1C2)c1ccccc1 596606891 YRBCPYZUZQOMAE-SOLBZPMBSA-N 297.402 3.663 30 20 CHED CCC[C@H](CC(C)C)C(=O)N[C@@H](C#N)CC(C)C 590987850 JMBUMGKGIRMSKE-ZIAGYGMSSA-N 252.402 3.503 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(Oc2ccccc2)cc1 749226461 UFGKDCKPGKYMQK-UHFFFAOYSA-N 294.354 3.966 30 20 CHED C[C@H](C(=O)OCCCC#N)c1ccc(Cl)c(Cl)c1 747022406 DTFLVNCVEPFBIW-VIFPVBQESA-N 286.158 3.944 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc2c(c1)CCN2 841275556 DYEJJOICRDXZLN-UHFFFAOYSA-N 287.407 3.913 30 20 CHED C=CCCO[C@@H](C)c1nc([C@@H]2CCc3ccccc3C2)no1 680768458 ATGKOLHBWOHOGV-XJKSGUPXSA-N 298.386 3.996 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccccc1[N+](=O)[O-] 750938862 PSMXHWJDTDTIEP-UHFFFAOYSA-N 287.294 3.878 30 20 CHED N#Cc1ccc(CN2CCCCCCC2)c(OC(F)F)c1 752271028 PSQOFPAASYGSDV-UHFFFAOYSA-N 294.345 3.926 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cc2c(s1)CCCC2 755822382 SCYCLVRKBIMGID-HNNXBMFYSA-N 279.405 3.894 30 20 CHED C#CCN(C(=O)c1cccc(-c2ccccn2)c1C)C(C)C 928627039 TXOZIQDCMFYNIJ-UHFFFAOYSA-N 292.382 3.541 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1cc(F)ccc1C#N 759361354 WVMXCJRHWFRGRG-UHFFFAOYSA-N 277.339 3.813 30 20 CHED C#CCC(C)(C)COC(=O)CC[C@H]1CC1(Cl)Cl 850930385 AIICYOODLDKKCD-JTQLQIEISA-N 277.191 3.553 30 20 CHED Cc1ccc(C(=O)Oc2ccc(C#N)cc2F)c(Cl)c1 756721821 RRDRPDRNFVEFKE-UHFFFAOYSA-N 289.693 3.878 30 20 CHED Cc1cc(F)ccc1NN=Cc1cc(F)c(F)cc1F 750939132 VJKROKBNSCJPDQ-UHFFFAOYSA-N 282.240 3.997 30 20 CHED COc1ccc(NN=Cc2ccc(OC)cc2Cl)cc1 750924125 KXGAHXHZKYBZQH-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CC(C)(C#N)CNCc1ccc(SC(F)F)cc1 757905785 XMPFYZQMNGFUMO-UHFFFAOYSA-N 270.348 3.641 30 20 CHED COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)c(C)c1 922073190 PIDSVXKZZJYIEQ-IBGZPJMESA-N 292.382 3.652 30 20 CHED COc1cccc(C2(N[C@H](C)CC(C)(C)C#N)CC2)c1 925897551 PQHXYCARYIHBOO-CYBMUJFWSA-N 272.392 3.602 30 20 CHED Cc1cc(C)c(/C=C/C(=O)O[C@H](C#N)C(C)C)cc1C 751160652 IEMYROKAELPWHZ-FYCOFBDGSA-N 271.360 3.716 30 20 CHED N#Cc1cc(CN(CCc2ccccc2)C2CC2)ccc1F 758700586 YYCOZQVQVOTOSS-UHFFFAOYSA-N 294.373 3.904 30 20 CHED CCCCCCCNC(=O)N(C)Cc1csc(CC)n1 858110292 PBPSIKQOZMBORV-UHFFFAOYSA-N 297.468 3.817 30 20 CHED C=CCCSCCNC(=O)c1c(C)cccc1Cl 855383526 XZDWYDXQAOPQRI-UHFFFAOYSA-N 283.824 3.688 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(CC)[C@@H](C)C#N)cc1 856075597 OFKOAAVUNZHJRR-OLZOCXBDSA-N 258.365 3.574 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Oc1ccc(C#N)cc1 753994154 FWELYCCQNLYUPG-LBPRGKRZSA-N 259.349 3.926 30 20 CHED CCCc1cccc(/C=C2\CCn3nccc3C2=O)c1 853009402 ILLUZQXJCBSOKJ-NTCAYCPXSA-N 266.344 3.506 30 20 CHED C(=NO[C@H]1CCCCO1)c1cnc(-c2cccs2)s1 755825500 WPOPTCGFYMKBGM-LBPRGKRZSA-N 294.401 3.749 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(C)cc1C)OCC 755429395 BZQDHUCSOSMKGS-OAHLLOKOSA-N 262.349 3.580 30 20 CHED C#CC[C@@H](Nc1nc(C2CC2)ns1)c1ccccc1 756956998 IRRAHMZEBKUXGA-CYBMUJFWSA-N 269.373 3.592 30 20 CHED CCOc1ccc(N(C)Cc2ccc(C#N)cc2OC)cc1 766902064 CQTQDSCQNXFYRO-UHFFFAOYSA-N 296.370 3.602 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1nc(C)c(-c2ccccc2)s1 766854316 HNCIRODMKQTPAS-NSHDSACASA-N 299.399 3.604 30 20 CHED C=CCN(Cc1cn(-c2ccccc2)nc1C)C(C)C 768548088 WGVRIQIOELOGCD-UHFFFAOYSA-N 269.392 3.577 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccc(F)c([N+](=O)[O-])c1 769822829 SGURQANINJTBPG-QWRGUYRKSA-N 279.315 3.958 30 20 CHED CC(=NOCC(F)(F)F)c1cc(C)c(C)cc1C 764836769 ZASAYGADDKRUNK-UHFFFAOYSA-N 259.271 3.915 30 20 CHED C/C(=C\C1CCC(C)CC1)C(=O)N1CCC(C#N)CC1 865055822 OVJJGVSMJDWZPK-SDNWHVSQSA-N 274.408 3.521 30 20 CHED C=CCCCCCCNC(=O)c1ccccc1CC#N 868329877 XAKHIAKAWKKRFL-UHFFFAOYSA-N 270.376 3.619 30 20 CHED C#CCCc1noc(CCc2ccc(CC(C)C)cc2)n1 762014498 OEBWHIXITYMKAR-UHFFFAOYSA-N 282.387 3.619 30 20 CHED Cc1cccc(NN=Cc2ccccc2C(C)C)n1 863160704 PJHIWFATXVQVER-UHFFFAOYSA-N 253.349 3.959 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc2ncccc2o1 932041287 ZHGRAKCVMCTKGF-UHFFFAOYSA-N 299.374 3.620 30 20 CHED N#CC1(C(=O)OCC(=O)CCC2CCCC2)CCCCC1 764525893 JOXOBVCXWAJFJL-UHFFFAOYSA-N 291.391 3.543 30 20 CHED CC(=NNCC(F)(F)F)c1ccc(N2CCCCC2)cc1 769816372 ZPSRVVPMQMUBFX-UHFFFAOYSA-N 299.340 3.553 30 20 CHED Cc1ccc(O[C@H](C)C(=O)Oc2ccc(C#N)c(C)c2)cc1 765097278 BUIXANURYUFOBM-CQSZACIVSA-N 295.338 3.548 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)[C@@H]1CCc2c(Cl)cccc21 765631151 LEODKHFAFGBPEX-OCCSQVGLSA-N 291.778 3.851 30 20 CHED Cc1ccc(C=NNCc2cnc3ccccc3c2)cc1F 764778280 IZEMXLSRPGJJIJ-UHFFFAOYSA-N 293.345 3.806 30 20 CHED C#CCCCCc1nc([C@H](C)c2cccc(OC)c2)no1 761823857 LTELKGXQHCIYPC-CYBMUJFWSA-N 284.359 3.576 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C(CC)(CC)CC 761482736 SADRQVAFWGOGJC-CQSZACIVSA-N 297.439 3.559 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)Cc2cccs2)cc1 768161288 VQNXAFNDHDDHGA-ZDUSSCGKSA-N 286.400 3.671 30 20 CHED CC(C)(C#N)CCCSCc1cn2ccccc2n1 1116290709 OKCYYLNHFMYOEJ-UHFFFAOYSA-N 273.405 3.897 30 20 CHED CC(C)COc1ccccc1C(=O)OCCC(C)(C)C#N 776384371 JBEBCIJSLZJGBV-UHFFFAOYSA-N 289.375 3.818 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccc(C)cc1 773085787 LPEZHPDWPNOINE-UHFFFAOYSA-N 268.364 3.745 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 774043404 GEQIGVCNOBSUKP-YLQAJVPDSA-N 271.360 3.845 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H](C#N)Cc1ccccc1 779712859 MMPDITKPVDOOEE-ZBFHGGJFSA-N 291.354 3.524 30 20 CHED Cn1c([C@H](C#N)C(=O)[C@H]2CCCC2(C)C)nc2ccccc21 773942854 IBRUJSHQGXYMHO-CHWSQXEVSA-N 295.386 3.576 30 20 CHED O=C1/C(=C/c2cccc3c2OCO3)CCc2ccc(F)cc21 776191657 FLARRDIOBBHRAL-XYOKQWHBSA-N 296.297 3.767 30 20 CHED C=CCC[C@H](Nc1ccc(N2CCN(C)CC2)cc1)C1CC1 777610448 LCZOJRUOEIMECY-IBGZPJMESA-N 299.462 3.595 30 20 CHED CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NOC(C)(C)C 1116408812 NIDXRNKGQKYXCF-ZDUSSCGKSA-N 298.427 3.967 30 20 CHED Clc1cc(Cl)c2c(C=NN3CCC3)c[nH]c2c1 872396694 CRPAWKAGTMRYGW-UHFFFAOYSA-N 268.147 3.514 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H](C)CCSC)CCCC1(C)C 770675783 QOCHIROGBNDKCL-KBPBESRZSA-N 298.496 3.904 30 20 CHED C#CCCCCC(=O)Nc1ccc(-c2coc(C)n2)cc1 773211699 GQNLDWAGIWALSP-UHFFFAOYSA-N 282.343 3.782 30 20 CHED C=CCCCN[C@H](C(=O)OC(C)(C)C)c1ccccc1 777727185 ACGIVVCNHIFPRE-HNNXBMFYSA-N 275.392 3.625 30 20 CHED CC(C)(C)CCC(=O)OCc1cccc(C#N)c1F 774961784 QRUPSBZWARFJDT-UHFFFAOYSA-N 263.312 3.567 30 20 CHED CO[C@@H]1[C@H](C)[C@H](/N=C/c2cc(Cl)ccc2O)C1(C)C 775629426 HOTUNEGUBUWLHI-YAPQGXBRSA-N 281.783 3.524 30 20 CHED CCOCCON=C(CC)c1c(F)cccc1Cl 774415932 ZINXZPFCRRTPEW-UHFFFAOYSA-N 273.735 3.646 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@H]1CCCC[C@H]1C 1128965216 IGYSICJIIKGVNT-IUODEOHRSA-N 298.386 3.916 30 20 CHED C=CCSCCN[C@@H](C)c1c(C)cc(C)cc1O 788732708 FEWKTDLQBVUFLR-ZDUSSCGKSA-N 265.422 3.579 30 20 CHED CCO[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 783179694 WWORYYIDHPIVBZ-OAHLLOKOSA-N 289.375 3.637 30 20 CHED COc1ccc(CCC(C)=NOCCC2CC2)cc1 783554836 JOTAEGPXCZNFAY-UHFFFAOYSA-N 261.365 3.820 30 20 CHED C=C1CCC(C(=O)NC[C@@H](C)c2nc3ccccc3o2)CC1 889326641 BDNNNWUKFNVBDW-CYBMUJFWSA-N 298.386 3.794 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1nc2ccccc2n1C 783829244 ZOIWLUDELWCSOZ-QWHCGFSZSA-N 270.380 3.797 30 20 CHED CC1(c2ccccc2)CCC(=NOC[C@H]2CCOC2)CC1 788033809 MCQQPURFICLZQY-BUSXIPJBSA-N 287.403 3.927 30 20 CHED COc1ccc(NN=C(C)Cc2ccccc2F)cc1 780235783 JBUIXYYTHUSCJR-UHFFFAOYSA-N 272.323 3.865 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 789836175 MRLBGYDWSXKMLP-LBPRGKRZSA-N 298.317 3.761 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2csc(Cl)c2)c1 787185676 IJKKCZDYPCWKHB-NSCUHMNNSA-N 296.731 3.677 30 20 CHED C=C1CC(c2noc([C@@H](C)Cc3ccc(OC)cc3)n2)C1 896881641 CSPRJTDMFRVBNV-LBPRGKRZSA-N 284.359 3.858 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(F)(F)F)nn2)[C@H](C)C1 783863884 SDCJLABDSJYSRL-DTWKUNHWSA-N 286.301 3.719 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3sccc3C)cn2c1 789143787 SKNVKMWYNZZUOU-SNAWJCMRSA-N 282.368 3.909 30 20 CHED C=CCCCCCOC(=O)c1cccnc1Cl 782036774 SXZDWMRJEFTRNO-UHFFFAOYSA-N 253.729 3.638 30 20 CHED C=C1CCC(C(=O)NCc2nc(C(C)(C)C)cs2)CC1 896184937 VWNQCFDEGRKSNO-UHFFFAOYSA-N 292.448 3.803 30 20 CHED Cc1ccc(C(=O)/C=C\C(=O)N[C@@H](C)c2ccccc2)cc1 797612257 WCQLOUFFDJTUOA-LLNWESEBSA-N 293.366 3.611 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNCCC(F)(F)F 794551120 BPGPJGANDAKSAK-ZJUUUORDSA-N 250.308 3.731 30 20 CHED C[C@]1(C=NNc2ccc(C(F)(F)F)cn2)CCCS1 792884762 DWAIBBUIWNIAAI-LLVKDONJSA-N 289.326 3.784 30 20 CHED N#CCC1CCN(CC2CCC(C(F)(F)F)CC2)CC1 546735870 RLOWMCINPAEFEQ-UHFFFAOYSA-N 288.357 3.981 30 20 CHED CC(=NNc1nccn1C)[C@@H](C)c1ccc(Cl)cc1 794540869 FOTVMPKJPVSTHH-SNVBAGLBSA-N 276.771 3.665 30 20 CHED Fc1cccnc1NN=C1CCSc2c(F)cccc21 794980412 KHVIFZIGDRREDS-UHFFFAOYSA-N 291.326 3.672 30 20 CHED CN(CC(C)(C)C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790572894 JQIXTSNUZVCDAH-UHFFFAOYSA-N 297.320 3.561 30 20 CHED C=C(C)CCN1CCO[C@@H](c2ccccc2Cl)C1 509702242 YWBAFJUWIVKINB-OAHLLOKOSA-N 265.784 3.680 30 20 CHED COC1(C=NNc2cc(C)ccc2F)CCCCC1 790166564 LUGZYLAQACENDG-UHFFFAOYSA-N 264.344 3.881 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cc(F)cc(F)c1 793175312 SMUZISNYNQUFNW-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CCn1nccc1/C=C1\Sc2cc(C)ccc2C1=O 798232665 ZKYVTBXSSKOOSC-ZROIWOOFSA-N 270.357 3.541 30 20 CHED C=C(C)CCSCC1CCC2(CC1)OCCO2 795384997 ZHBGEEBRNJAMDK-UHFFFAOYSA-N 256.411 3.619 30 20 CHED Cc1cccc2c1CCN(Cc1ccc(C#N)c(F)c1)C2 792217273 MJHUOUFPPUPWGA-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cccs1 793173803 CVRCMFNIQXLVJG-UHFFFAOYSA-N 251.742 3.633 30 20 CHED Cc1cc(COC(=O)c2cc(C#N)oc2C)ccc1Cl 797958596 MKMGUVFHFJDLFJ-UHFFFAOYSA-N 289.718 3.779 30 20 CHED COC(=O)c1cccc(NN=Cc2ccsc2Cl)c1 790174062 NJLWXRHATAYHBL-UHFFFAOYSA-N 294.763 3.634 30 20 CHED CC1(C)CCC/C(=C\c2c(F)ccc(O)c2F)C1=O 794940876 DNPIUIPQENZVKK-CMDGGOBGSA-N 266.287 3.833 30 20 CHED C[C@@]1(C=NNc2ccc(Cl)cc2[N+](=O)[O-])CCCS1 792977419 KMCUDCTXKMJIAH-LBPRGKRZSA-N 299.783 3.932 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1CSCCS1 793534087 OLNKSVCAYMMGAX-KBPBESRZSA-N 273.511 3.950 30 20 CHED CCCC[C@H](C)C(=O)OCc1ccc(C#N)cc1C 799972430 AQPRRECBUCXFJJ-LBPRGKRZSA-N 259.349 3.736 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCc2nc(C)ncc2C1 793521557 CNTLTUPWQSAIQC-WMLDXEAASA-N 287.451 3.757 30 20 CHED CC(=O)c1cccc(OCc2cc(F)ccc2C#N)c1F 1307392014 CZFQQAJHDQQWSQ-UHFFFAOYSA-N 287.265 3.618 30 20 CHED Cc1nc(C#N)cc(NCC2CCC(C(C)C)CC2)n1 1306996145 LBWMIUDMCWJGKQ-UHFFFAOYSA-N 272.396 3.531 30 20 CHED C[C@H]1CCC[C@H](OC(=O)C2(c3cccc(C#N)c3)CC2)C1 1319908015 OREHAHFJSFWISW-BBRMVZONSA-N 283.371 3.712 30 20 CHED Cc1ccc(NN=Cc2ccc(C#N)o2)cc1Cl 1318776448 JJRVRBKUNPVHKF-UHFFFAOYSA-N 259.696 3.559 30 20 CHED CC(C)(C#N)c1ccc(-c2nnc([C@@H]3CCCCO3)o2)cc1 1329109007 SGGMRNRWQYEUDO-AWEZNQCLSA-N 297.358 3.779 30 20 CHED CCCCc1oc2ccccc2c1C=NNc1ccn(C)n1 1326242592 SSXPVIBSNAIVFR-UHFFFAOYSA-N 296.374 3.955 30 20 CHED N#Cc1cccc(-c2nnc(CCC3CCCC3)o2)c1 1322343013 MQVGIYYLUAXUQO-UHFFFAOYSA-N 267.332 3.731 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1c(C)cc(F)cc1C 1189285975 DJIQMROCFFCZPU-UHFFFAOYSA-N 297.333 3.608 30 20 CHED C=C(C)CCC(=O)Nc1cc(F)ccc1Br 1338403339 JJTCGRHLHWFZMK-UHFFFAOYSA-N 286.144 3.883 30 20 CHED Cc1cc(C)cc(N(C)C(=O)CC#Cc2ccccc2)c1 1332929335 MTTKXFKGHABGAS-UHFFFAOYSA-N 277.367 3.708 30 20 CHED C=C(C)CCC(=O)N1CC=C(c2ccc(C)cc2)CC1 1336424328 RWSRYLCATHNBML-UHFFFAOYSA-N 269.388 3.967 30 20 CHED CC[C@@](C)(C#N)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 1330074802 NPQKULVSCZIOKR-JPVQUXCTSA-N 285.391 3.729 30 20 CHED CC(=NOC(C)(C)C)c1nc2c(s1)CCCC2 1336229370 RDJVKFVNDFGARD-UHFFFAOYSA-N 252.383 3.561 30 20 CHED CCC[C@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1 1336161889 DGAPMBJTDCVSRB-ZDUSSCGKSA-N 276.767 3.616 30 20 CHED CCCOc1cccc(CN2CCCC(C)(C)[C@@H]2C#N)c1 1194101892 REXUAVSOSJEYOV-KRWDZBQOSA-N 286.419 3.990 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)C2(C3CCCCC3)CC2)C1 1342998400 CIBAJIMAONZNEG-TZMCWYRMSA-N 261.365 3.582 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)CCCCCC(C)C 1346096746 UJFTVLZRYKMUOG-CQSZACIVSA-N 275.396 3.686 30 20 CHED C=C(Cl)Cn1c(CC(C)C)nnc1N(CC)CC(C)C 1359152138 NTNVVADKWXFWAT-UHFFFAOYSA-N 298.862 3.711 30 20 CHED CC[C@H](F)C(=O)Nc1ccccc1SC[C@@H](C)C#N 1353574087 RMAQCWOXJQBAAF-QWRGUYRKSA-N 280.368 3.625 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)c1ccn(C)c1)c1cccs1 1519364032 HJYXCZRPTUFMJB-FZMZJTMJSA-N 288.372 3.534 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H](C)CC(C)C)c1 1525310949 WAIWQKIGEFSGDR-GFCCVEGCSA-N 258.365 3.878 30 20 CHED O=C(O)c1cccc(NN=C2CCCC23CCC3)c1F 1608936005 TWWFTVDGFRSGCH-UHFFFAOYSA-N 276.311 3.646 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 224447788 SKYKCQDPCAMWCD-TZMCWYRMSA-N 291.376 3.553 30 20 CHED Cc1c(F)cc(C(=O)O)cc1O[C@H](C)c1ccc(C#N)cc1 1600019465 UZDIZDQZBNCPME-LLVKDONJSA-N 299.301 3.844 30 20 CHED C=CCCCCCN[C@]1(C(=O)O)CCCC(C)(C)C1 1602869122 AFIKJOQHBQTAFU-MRXNPFEDSA-N 267.413 3.746 30 20 CHED CC[C@H](N=c1cc[nH]c(C#N)c1)C(C)(C)c1ccccc1 1612139189 NYDHHPIETSXHMU-KRWDZBQOSA-N 279.387 3.543 30 20 CHED Cc1cc(N[C@H](C)Cc2ccccc2Cl)ncc1C#N 1611809728 WHNOPDUQWLJDGY-GFCCVEGCSA-N 285.778 3.958 30 20 CHED C[C@H]1CCC[C@@H](N(C)CCc2ccc(C#N)cc2)C1 1644434405 OODAIWULANTTJG-WMLDXEAASA-N 256.393 3.611 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCC(C)(C)c1ccccc1 1585347092 IRNZQJUJUWZREH-MRXNPFEDSA-N 286.419 3.895 30 20 CHED Cc1ccc(C)c(N(C)Cc2cccc(C#N)c2F)c1 1653193577 OIUVNZXWRDPFJE-UHFFFAOYSA-N 268.335 3.951 30 20 CHED C=CC[C@@H](Sc1ccc(Cl)c(F)c1)C(=O)O 1588757998 DMPMRDULYFLZDX-SNVBAGLBSA-N 260.717 3.601 30 20 CHED Cc1c(NN=C2CC[C@@H](C(C)C)C2)cccc1C(=O)O 1776088381 ILHUEDHQFPBLAD-GFCCVEGCSA-N 274.364 3.917 30 20 CHED N#Cc1cc(CSc2ccc(O)cc2)ccc1F 158546108 AQZMDCGFSZTQJO-UHFFFAOYSA-N 259.305 3.695 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H]2OCCC[C@H]2C1 163441403 QSRQQYUSDJRIGC-HOTGVXAUSA-N 281.440 3.765 30 20 CHED C=C(Br)CNCc1cc2ccccc2s1 165921805 MEAKDMFEDXAXOL-UHFFFAOYSA-N 282.206 3.900 30 20 CHED C[C@H]1/C(=C\c2ccc(O)cc2)C(=O)c2c(O)ccc(F)c21 7333190 BVHYDKDULGTQBA-KWINOFQJSA-N 284.286 3.620 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2C)c1 151020545 HSAILULNXTTWNX-CQSZACIVSA-N 278.355 3.917 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1SC(F)F 151008120 OEUPKWWGIOUTLM-UHFFFAOYSA-N 298.358 3.926 30 20 CHED C=CCCSCC(=O)N[C@@H](C)c1ccc(Cl)cc1 151965473 WWECMNFTVMBYCV-NSHDSACASA-N 283.824 3.827 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1nccs1 154194213 XTNDVTPIJUSWBJ-LBPRGKRZSA-N 281.425 3.592 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccccc2O)cc1 156601012 KHQRQSDKEJJNGW-RUNBWSAHSA-N 293.322 3.579 30 20 CHED COc1cccc(CNc2ccc(C#N)cc2Cl)c1O 234974456 MRMXOGCVOCDPDA-UHFFFAOYSA-N 288.734 3.538 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)c1ccc(C#N)cc1 235192752 LJANIQCANCFMLS-CQSZACIVSA-N 269.392 3.929 30 20 CHED CCCOc1ccccc1NCc1cccc(C#N)c1 35046129 GJDDQTPNYZHMHZ-UHFFFAOYSA-N 266.344 3.959 30 20 CHED N#CCCCCSc1nccn1Cc1ccccc1 268536573 BVOUHNTVUPYEGH-UHFFFAOYSA-N 271.389 3.717 30 20 CHED CC(C)Oc1cccc(CNc2cccc(C#N)c2)c1 40640015 ATKDHHCSEXXRNN-UHFFFAOYSA-N 266.344 3.958 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(OC(C)C)cc1 44765362 WBHMDIFLGGRQJU-UHFFFAOYSA-N 274.364 3.742 30 20 CHED C=CCC[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 300208199 BLUCBRQVXFVDFW-ZNMIVQPWSA-N 296.455 3.719 30 20 CHED CSc1ccccc1C(=O)Nc1cc(C)cc(C#N)c1 308142167 UTDXEBDRHABLKG-UHFFFAOYSA-N 282.368 3.841 30 20 CHED CCc1nc(C#N)cc(Oc2ccc(C)cc2Cl)n1 308272651 QQZCFOHBDJEPHX-UHFFFAOYSA-N 273.723 3.665 30 20 CHED C=CCCCCN[C@@H](C)c1ccc2c(c1)OCCCO2 312766897 LGLSJXNKEVDAMP-AWEZNQCLSA-N 275.392 3.855 30 20 CHED CN(CCC(C)(C)C#N)[C@@H]1CCCN(Cc2ccccc2)C1 345730092 PLUVCKODYFGERM-GOSISDBHSA-N 299.462 3.523 30 20 CHED CC1(C)CCCC[C@H]1C(=O)N1CCC(CCC#N)CC1 335384592 LCOCSAVFXPVLII-HNNXBMFYSA-N 276.424 3.745 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)cc1Cl)C1CCC1 335572171 CHORRCNLWDYUFP-VIFPVBQESA-N 262.740 3.586 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1ncc(C#N)cc1Cl 361288290 MZCQVUPCYFTYJK-NXEZZACHSA-N 251.761 3.843 30 20 CHED CCOc1cccc(C=NOCc2ccccc2)c1 915960132 QWFJGOXZKNCAFS-UHFFFAOYSA-N 255.317 3.636 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 397706889 UBXUFQFBXAAIRX-SNVBAGLBSA-N 297.185 3.759 30 20 CHED Clc1sccc1C=NNCc1ccccc1 790150584 OUNNTSHDHVYKRB-UHFFFAOYSA-N 250.754 3.525 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2sccc2C#N)cc1 52030233 HVVDGZFGLABUGA-GFCCVEGCSA-N 284.384 3.761 30 20 CHED Cc1ccc(CCC2CCN(CCCC#N)CC2)cc1 53847732 NJAYYMDRSSDWAS-UHFFFAOYSA-N 270.420 3.943 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](c2cccnc2)C(C)C)n1 176746310 VWRBQDKAELLODD-KRWDZBQOSA-N 294.402 3.817 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1cccc(C#N)c1 59270218 LUFYWULWPIWUCX-ZHACJKMWSA-N 277.323 3.853 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](C)Cc1cccc(F)c1 173913301 GMHOTCMNUGGTPJ-CQSZACIVSA-N 277.383 3.819 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(C)c1 173734966 BSEYGKWWVQZSIT-ZDUSSCGKSA-N 276.380 3.868 30 20 CHED C=CCCCCCN(C)C(=O)Nc1nc(C)c(C)s1 172685094 BOOUBUZBNFTFDQ-UHFFFAOYSA-N 281.425 3.970 30 20 CHED Cc1nc2c(s1)[C@@H](N(C)Cc1ccccc1C#N)CCC2 111311864 MSKTZMUELWAZMN-INIZCTEOSA-N 297.427 3.833 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 172060163 IOUCPRFJXMZQKV-ZIAGYGMSSA-N 290.407 3.799 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1C 56475738 IXMXRUDAOWKVNZ-UHFFFAOYSA-N 280.327 3.518 30 20 CHED C=CCOc1ccc(OCc2noc(C(C)(C)C)n2)cc1 174233607 VNHMLRJJGCRVIE-UHFFFAOYSA-N 288.347 3.511 30 20 CHED C=CCCCC(=O)N(C)Cc1ccccc1N1CCCC1 175136959 GKJRNFACTFLSHF-UHFFFAOYSA-N 286.419 3.602 30 20 CHED COc1cccc(/C=N/C[C@H](c2cccnc2)C(C)C)c1O 177545182 PPEGFIMVBBCPJZ-YODDIOPGSA-N 298.386 3.655 30 20 CHED C=CCCCC(=O)N1CCC[C@](C)(c2ccccc2)C1 175656406 WUEBVSZDCJNDFG-SFHVURJKSA-N 271.404 3.923 30 20 CHED CCOc1ccccc1[C@H](CC)Nc1ncccc1C#N 301136731 AMIISSGEELVVFU-HNNXBMFYSA-N 281.359 3.915 30 20 CHED CCCC(O)(CCC)CNc1cc(Cl)ccc1C#N 303749300 DYWBZAXBEDVWMJ-UHFFFAOYSA-N 280.799 3.955 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(N(CC)C(C)C)cc1 116853690 PSXPOIQRSLTQIN-CQSZACIVSA-N 274.408 3.616 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc(-c2ccccc2)s1 171551366 XKYBLYUWVLLUFD-LBPRGKRZSA-N 284.384 3.789 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1cccs1 60528948 QBIJRNNOZZYTFF-VOTSOKGWSA-N 260.362 3.665 30 20 CHED CCN(Cc1c(Cl)ccc2cccnc12)C[C@@H](C)C#N 64249275 BVNQXNXGNQWACL-LBPRGKRZSA-N 287.794 3.870 30 20 CHED Cc1cc(C)c(C#N)c(N2CCc3cc(F)cc(C)c3C2)n1 409655622 BCPKFLDBXHFJSG-UHFFFAOYSA-N 295.361 3.580 30 20 CHED CCc1nc(COc2cc(Cl)cc(C#N)c2)cs1 311053561 VKNWPYHDIUBWKP-UHFFFAOYSA-N 278.764 3.810 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)CC#Cc1ccccc1 1261335825 JWECPBWSQNKBPB-MRXNPFEDSA-N 269.388 3.679 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 67799918 AWMVTZKHNSLVLG-KGLIPLIRSA-N 272.392 3.808 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCNc1ccc(C#N)cc1 301085551 JAAYHAGTJGVSRB-CJNGLKHVSA-N 258.365 3.565 30 20 CHED C[C@@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc23)[C@@H]1C 301502373 XSZSGQDQQLGRLR-GHMZBOCLSA-N 285.778 3.995 30 20 CHED Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 178559990 DOHINWAUVMSDTJ-RDJZCZTQSA-N 282.387 3.662 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@@H](CC)C1)c1ccccc1 125105129 WRPKCKDONKHQPW-CABCVRRESA-N 257.377 3.605 30 20 CHED N#Cc1ccc(NC(=O)CCCc2ccccc2)cc1F 307970678 XBIFOAQZAWUTRJ-UHFFFAOYSA-N 282.318 3.659 30 20 CHED C[C@@H](Cc1nc2ccccc2s1)Nc1cccc(C#N)n1 301814875 CVDMINNSVVBNHI-NSHDSACASA-N 294.383 3.606 30 20 CHED C=CCn1c(S[C@@H](C)CCC#N)nnc1-c1ccco1 188282763 CZMVHTNTGPIWNA-NSHDSACASA-N 288.376 3.508 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1Cc1cc(C#N)cs1 127595724 ANDPUYRTNRNBQH-XJKSGUPXSA-N 282.412 3.998 30 20 CHED C=CCC[C@H](NCc1ccc(OC)cc1OC)C1CC1 120333203 NVPVZVQJGSRUMO-INIZCTEOSA-N 275.392 3.538 30 20 CHED CCOc1ccccc1[C@@H](C)NCc1cccc(C#N)c1 37748731 UQJGLFFCHVDMQZ-CQSZACIVSA-N 280.371 3.808 30 20 CHED CC#CCCCC(=O)N(c1ccccn1)C1CCCC1 186058380 YOCOKIIVXWSAPV-UHFFFAOYSA-N 270.376 3.551 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1cc2ccccc2o1 188480025 BTMQDSDJMKABEQ-QGZVFWFLSA-N 271.360 3.994 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(C2CC2)cc1 416073123 ZUJYAPJYBGFSCE-ZDUSSCGKSA-N 290.366 3.927 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N=c1cc[nH]cc1Cl 419013909 IVUAQELGGWTFLT-OAHLLOKOSA-N 283.762 3.518 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)c1ccc(Br)cc1 180477625 VUYQSCXGFWZBIT-NSHDSACASA-N 296.208 3.587 30 20 CHED C=CCC[C@H](O)CN(Cc1ccco1)Cc1cccs1 121329291 SSNQAPNFYNWBMI-AWEZNQCLSA-N 291.416 3.670 30 20 CHED COc1cccc([C@@H]2CCCN2Cc2cc(C#N)cs2)c1 124255904 MXMRKTBQFZTFRI-KRWDZBQOSA-N 298.411 3.965 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccccc1Sc1ccccc1 123930613 ZHKUDDVIFNWOMO-ZDUSSCGKSA-N 296.395 3.870 30 20 CHED CCO[C@@H](C)c1nc(CN(CC#N)C2CCCC2)cs1 156743593 SYLCTOZWUOEFIP-LBPRGKRZSA-N 293.436 3.509 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)c1cccc(O)c1 120421775 NSFGYHPJFPEGJS-CQSZACIVSA-N 290.407 3.841 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(OC)c(F)c2)cc1 213311911 YVUUXGQVOSXQQC-UITAMQMPSA-N 286.302 3.739 30 20 CHED C=CCOCCCC(=O)Nc1ccc2c3c(cccc13)CC2 79381917 KCEYUWGCUMYCEE-UHFFFAOYSA-N 295.382 3.860 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)ccc1C#N 443997671 YDBQOUFNPZUCPO-SOLBZPMBSA-N 268.404 3.925 30 20 CHED C=C(C)COCCNC(=O)Nc1ccccc1C(C)(C)C 136911135 FOEKUHVFWDBCQD-UHFFFAOYSA-N 290.407 3.698 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)cn2)C1 185790843 ZRUADICHYVMEBN-HUUCEWRRSA-N 284.407 3.566 30 20 CHED N#C[C@@H](NC(=O)C1=CCCCCC1)c1ccccc1Cl 186031160 QPLFPHFKFLMHSF-OAHLLOKOSA-N 288.778 3.911 30 20 CHED C=CCC[C@@H](C)Nc1cccc([C@H](C)C(=O)OC)c1 414483816 GBIWEBQEWNNXOS-OLZOCXBDSA-N 261.365 3.730 30 20 CHED CCc1ccc(CNCc2cccc(O[C@H](C#N)CC)c2)o1 133967904 OBCOLFSFFHHRFA-INIZCTEOSA-N 298.386 3.813 30 20 CHED CC(C)Cc1ccc(CC(=O)[C@@H](C#N)c2ccccn2)cc1 41493056 GLCMNZPCGOWXNG-KRWDZBQOSA-N 292.382 3.699 30 20 CHED Cc1ccc(Br)c(CN[C@H]2CC[C@H](C#N)C2)c1 414271701 XFHYBXLNPJDVHN-AAEUAGOBSA-N 293.208 3.539 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1sc(C)c(C)c1C#N 502499061 FBAHWNYKDHACJS-DTWKUNHWSA-N 264.394 3.857 30 20 CHED CN(C(=O)CC(C)(C)C#N)[C@H]1CCC[C@H]1C(C)(C)C 416295283 SZTDEADZNHPELJ-OLZOCXBDSA-N 264.413 3.599 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NCC(C)(C)CC#N 414170712 TUTXBSZUPWLIBS-MRXNPFEDSA-N 258.409 3.783 30 20 CHED N#Cc1cc(Br)ccc1N[C@@H]1CC[C@H](F)C1 379468639 ZPOQCNPHNPTXDZ-WDEREUQCSA-N 283.144 3.623 30 20 CHED Cc1cc(/C(O)=N/CC2(C3CC3)CCC2)c2n[nH]cc2c1 328660244 VAJQYKZCGUJNEK-UHFFFAOYSA-N 283.375 3.756 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC[C@@H]2C)c1 88723789 GLRHBOKVHAFGHH-LXZKKBNFSA-N 272.392 3.646 30 20 CHED C#CCSCCN[C@@H](C)c1ccc2cc(OC)ccc2c1 222116266 HLWGZFCSHIEPRI-AWEZNQCLSA-N 299.439 3.865 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccn1 49458242 HPXCWXKHVBXDDA-WOPDTQHZSA-N 296.292 3.627 30 20 CHED Cc1ccc2nc(SCCC(C)(C)C#N)[nH]c2c1 87324167 YDIMQKAONZVINL-UHFFFAOYSA-N 259.378 3.903 30 20 CHED CCC(CC)(C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424964661 GTSWDGWFNVSBOL-GOEBONIOSA-N 284.403 3.553 30 20 CHED Cc1cc(N2CC[C@@H](c3ccccc3)[C@H]2C)c(C#N)cn1 425231025 MLZBIGJLMARTBS-RHSMWYFYSA-N 277.371 3.644 30 20 CHED C[C@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(C#N)cc1 287143977 ATQUIOAGIRVBBL-TVQRCGJNSA-N 268.282 3.550 30 20 CHED C=C(C)CNC(=O)c1cccc2[nH]c(-c3cccs3)nc12 428107040 MIPOATOJJNGJOB-UHFFFAOYSA-N 297.383 3.597 30 20 CHED CC(C)(C)C(=O)CSCCCOc1cccc(C#N)c1 130829284 SBECPJDXUHTFMN-UHFFFAOYSA-N 291.416 3.676 30 20 CHED C[C@]1(C(O)=Nc2ccc3nc(C4CC4)oc3c2)CCOC1 329649967 CBYSMZWWLZBXPQ-INIZCTEOSA-N 286.331 3.720 30 20 CHED CCCCc1ccc(NC(=O)C2(C#N)CCC2)cc1 83794846 ATPOGEOWAPFEFA-UHFFFAOYSA-N 256.349 3.662 30 20 CHED C=CC(C)(C)c1nc(C2(c3ccccc3F)CC2)no1 420518561 DEVUFBCQAHICHG-UHFFFAOYSA-N 272.323 3.752 30 20 CHED CCO[C@H]1C[C@@H](NCCCC(C)(C)C#N)C12CCCC2 514757774 AZFXCIJZZCPBNN-CABCVRRESA-N 278.440 3.644 30 20 CHED C#CCCCN[C@H](C)c1ccccc1Br 161187397 WDVRSYUERFYHNQ-LLVKDONJSA-N 266.182 3.513 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@]1(C)CC1(F)F 421458359 LKJHOSJQBMJECX-CQSZACIVSA-N 271.351 3.627 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(c2ccc(F)cc2)CC1 424607895 RZDIBMOLNSKCFO-UHFFFAOYSA-N 275.367 3.576 30 20 CHED C#C[C@H](C)NC(=O)N(c1ccccc1)c1ccccc1 193510862 JJQUCOOPMHSKEH-AWEZNQCLSA-N 264.328 3.556 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCC1(C)C 429359607 BTEQTMRHNNNBIG-INIZCTEOSA-N 286.419 3.963 30 20 CHED C[C@@H](N[C@@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1 336160498 NXQZLJCDRAYJLI-SJKOYZFVSA-N 296.345 3.872 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 424667229 PAYSKYXDMJLAQX-TYNCELHUSA-N 290.794 3.847 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@](C)(CCC)C1 337842412 GEQBOSIRNMKXAZ-KRWDZBQOSA-N 288.439 3.748 30 20 CHED COc1ccccc1[C@@H](C)[S@@](=O)Cc1ccccc1C#N 339149373 HYBBZIKRBHRIJS-ASSNKEHSSA-N 299.395 3.577 30 20 CHED C[C@@H]1OCCC[C@H]1/C(O)=N/CCc1ccc2ccccc2n1 330054180 ROVHHWAKFFYPOO-XJKSGUPXSA-N 298.386 3.549 30 20 CHED CCC1CCC(N(C(=O)NCC(C)(C)C#N)C2CC2)CC1 512888862 LCXGBILQJDTDNV-UHFFFAOYSA-N 291.439 3.679 30 20 CHED Cc1cccc2c(NCC3(O)CCCCC3)c(C#N)cnc12 91477758 NCDQLCNNZFAGQR-UHFFFAOYSA-N 295.386 3.522 30 20 CHED C[C@@H]1CCCC[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 514098446 GWRKBNKGPFVKHS-DNVCBOLYSA-N 297.446 3.695 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1)c1cccs1 48443716 LTFDBLPNRSTBPP-ZDUSSCGKSA-N 270.357 3.501 30 20 CHED CC(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1 335399582 FYIWYGSELNGELU-UHFFFAOYSA-N 298.729 3.667 30 20 CHED C#CCCOc1ccc(CNCCc2ccc(F)cc2)cc1 237736738 WFBUCQMUELSLOO-UHFFFAOYSA-N 297.373 3.560 30 20 CHED N#CCc1cccc2cccc(I)c12 238584303 GSFHCHFUGUBHJT-UHFFFAOYSA-N 293.107 3.510 30 20 CHED Cc1c(F)ccc(Cl)c1C(=O)Nc1cccc(C#N)c1 336415513 KBCUXWUTRMUHMZ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1csc(CN(CCC(F)(F)F)CC2CC2)c1 91901888 LRXVAXXGYASUNK-UHFFFAOYSA-N 288.338 3.784 30 20 CHED C[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl 439446049 XKJONOHAZZXVBY-ZYHUDNBSSA-N 291.782 3.769 30 20 CHED Cc1cc(NC(=O)CCC(C)(C)C)c(C#N)cc1N(C)C 331239235 JKIMPDSGIMOJTH-UHFFFAOYSA-N 287.407 3.698 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 528666662 YKJWSIDFXWYQQK-RDJZCZTQSA-N 298.430 3.969 30 20 CHED COc1ccc(F)cc1N[C@@H]1CCc2ccc(C#N)cc21 520385837 AXFZGZVOWZROQT-OAHLLOKOSA-N 282.318 3.805 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C)cc(C)c1 436285022 NFMJLPQFNCXTGU-BQFCYCMXSA-N 273.420 3.935 30 20 CHED C=CCC[C@H](NC(=O)NCCC1CC1)c1ccccc1 435116840 QOCMOUIQKNGOLD-INIZCTEOSA-N 272.392 3.793 30 20 CHED Cc1oc(C#N)cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 435769644 ATDMPQUVWUBLEQ-GFCCVEGCSA-N 299.355 3.530 30 20 CHED CCN(Cc1cccc(Cl)c1)c1ccnc(C#N)c1 341731652 PQKGLKYLQWIFKG-UHFFFAOYSA-N 271.751 3.633 30 20 CHED CCN(CCC(C)(C)C#N)Cc1c[nH]c2ccccc12 347170677 PSFPPJTWJZOFCW-UHFFFAOYSA-N 269.392 3.930 30 20 CHED C[C@H](NC[C@@H]1CCCCS1)c1ccc(C#N)c(F)c1 346799101 QFAGBBGDOJQXMT-FZMZJTMJSA-N 278.396 3.634 30 20 CHED N#Cc1ccccc1SCc1cccc(C#N)c1F 340865800 TXWKKSLTTXTLFG-UHFFFAOYSA-N 268.316 3.861 30 20 CHED N#CC1(CN2CCC[C@H](c3ccccc3)CC2)CC1 343323667 VCROFEBAXZJNHC-INIZCTEOSA-N 254.377 3.560 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCSc2ccccc21 346009651 ACFYQIMYJPLAJY-GXTWGEPZSA-N 290.432 3.877 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 528443786 LCEHOAUXUQUNAT-KRWDZBQOSA-N 298.430 3.798 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2ccccc2s1 431661323 MUVABGWXPYPGJM-UHFFFAOYSA-N 260.362 3.837 30 20 CHED CCCOc1cc(/C=C\C(=O)c2cccnc2)ccc1OC 255377370 PFTPFCJCNABNDS-VURMDHGXSA-N 297.354 3.775 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cc1 255566613 CJFBSZMESNTPHJ-UQCOIBPSSA-N 290.265 3.575 30 20 CHED COc1cccc(Oc2ccc(NC(=O)[C@@H](C)C#N)cc2)c1 347082888 YJVQSSXFGSMOFC-LBPRGKRZSA-N 296.326 3.586 30 20 CHED N#Cc1ccc(SCc2nc(C3CC3)cs2)nc1 342473143 CDNWQALHOFSAGM-UHFFFAOYSA-N 273.386 3.579 30 20 CHED COc1ccc2c(c1)CCCC2=NOCc1ccccc1 252475348 YTSSZLVXESPBKE-UHFFFAOYSA-N 281.355 3.952 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1ccccc1SC 602288440 ILXCSGLWBFQCTG-UHFFFAOYSA-N 276.405 3.701 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(Cl)cc2)o1 255562125 PQKDMMTXRPRHPY-VURMDHGXSA-N 290.702 3.616 30 20 CHED N#CC1(F)CCN(Cc2cccc(-c3cccnc3)c2)CC1 348718969 YXJOUZNFKMXJPG-UHFFFAOYSA-N 295.361 3.576 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(C#N)cc1 609117095 VOCLANMASSFWJS-DLBZAZTESA-N 284.403 3.576 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1cnn(C(C)C)c1 255133324 JRBTVGDJSNGGMP-ALCCZGGFSA-N 272.323 3.808 30 20 CHED COc1cc(C)c(CNc2cccc(CC#N)c2)cc1OC 449687163 BHVDCIVSVGPCIU-UHFFFAOYSA-N 296.370 3.690 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc2sccc2c1 357816546 YYOKXXJHHIPXAY-NSHDSACASA-N 274.389 3.665 30 20 CHED CC(C)c1ccc(-c2nc(C(=O)NCCC#N)cs2)cc1 351756068 OMEWKHHQEOHOMY-UHFFFAOYSA-N 299.399 3.577 30 20 CHED COC(=O)c1c[nH]c2cc(NCCCC(C)(C)C#N)ccc12 600573780 GUXHGMJCIVQFTE-UHFFFAOYSA-N 299.374 3.696 30 20 CHED Cc1nn(Cc2ccc(SC(C)C)cc2)cc1C#N 359355711 XYEKWVSGZSAOHB-UHFFFAOYSA-N 271.389 3.612 30 20 CHED Cc1cc(-c2noc(Cc3ccccc3CC#N)n2)c(C)o1 351039784 HOTORBZXWVALBQ-UHFFFAOYSA-N 293.326 3.603 30 20 CHED CO[C@@H](CNc1cccc(OCCCC#N)c1)CC(C)C 602486628 FKWZDFPHEBGFFI-QGZVFWFLSA-N 290.407 3.842 30 20 CHED COC(=O)c1sccc1CSc1ccc(C#N)cc1 447350890 VBULZLAVXPTQBI-UHFFFAOYSA-N 289.381 3.699 30 20 CHED C[C@H](CC(=O)N(C)c1ccc(C#N)cc1)c1ccccc1F 440042379 AEUUMNOSNHVWFJ-CYBMUJFWSA-N 296.345 3.854 30 20 CHED CN(C)C(=O)c1cccc(CSc2ccc(C#N)cc2)c1 358923444 JAQZTFVPNVAHSS-UHFFFAOYSA-N 296.395 3.552 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 357837552 SWYCOMNOVIESFJ-GFCCVEGCSA-N 298.317 3.503 30 20 CHED N#CC1(c2nc(-c3cccc4ccccc34)no2)CCC1 530879344 BIEGOZAAPVXQAS-UHFFFAOYSA-N 275.311 3.835 30 20 CHED C=CCCC1(C(=O)Nc2ccc(O)cc2SC)CC1 357133213 WJHZJSUZBRFUCX-UHFFFAOYSA-N 277.389 3.799 30 20 CHED COc1ccccc1/C=N/OCc1ccn(C2CCCC2)n1 268633924 YJAMBBQJKZONDN-LDADJPATSA-N 299.374 3.558 30 20 CHED C=CCC1(NC(=O)Cc2ccccc2SC)CCCC1 619110637 HUJHDOGEFMOYAT-UHFFFAOYSA-N 289.444 3.956 30 20 CHED Clc1ccc(C#CCNc2cccc3c2OCCO3)cc1 535403223 YGMPXRLUFAFQKI-UHFFFAOYSA-N 299.757 3.575 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N(C2CC2)C2(C#N)CCC2)C1(C)C 616175438 VOEPUQOZSCRWMH-HUUCEWRRSA-N 286.419 3.662 30 20 CHED C=CCOc1ccccc1CNC(=O)C1(CC(C)C)CC1 440488036 QKKHHDSMKWQHAT-UHFFFAOYSA-N 287.403 3.694 30 20 CHED CC[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 354396528 WOFARRHNOQXIPR-NVXWUHKLSA-N 284.403 3.723 30 20 CHED CC1(C)CC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 618806737 RPKZDYHVIGXXIX-GOEBONIOSA-N 254.377 3.714 30 20 CHED C=CCC[C@@H](NC[C@H]1CCCS1)c1ccco1 353395647 QMIRRUGXASJVRC-CHWSQXEVSA-N 251.395 3.772 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1cccc(OC)c1 267212012 HMETZLHTXWKLLW-HNNXBMFYSA-N 295.382 3.558 30 20 CHED C=CCC[C@@H](NCC1Cc2ccccc2C1)C1CC1 537968747 VHZQGYGXLVVRKO-GOSISDBHSA-N 255.405 3.736 30 20 CHED N#C[C@@H](Cc1ccccc1)SCCC(F)(F)F 619460938 WTYAVFYSBZDAHK-LLVKDONJSA-N 259.296 3.807 30 20 CHED C=CCC1(C(=O)NCCc2cc3ccccc3[nH]2)CCCC1 450176039 HJFSWQBFTUKMGK-UHFFFAOYSA-N 296.414 3.963 30 20 CHED CN(Cc1cc2ccccc2o1)C(=O)NCC(C)(C)CC#N 459256019 HOPQIHDDQVEQEZ-UHFFFAOYSA-N 299.374 3.514 30 20 CHED C=C(CC)CNC(=O)N(C)Cc1cc2ccccc2o1 455519538 IJRVQTCGFFKTQK-UHFFFAOYSA-N 272.348 3.540 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(C)[nH]1 613292705 PUAWBHBEPHLKHP-OAHLLOKOSA-N 289.338 3.670 30 20 CHED Cc1cn(Cc2csc(Cc3ccccc3)n2)cc1C#N 531832950 SWLGKOLGGGMEGK-UHFFFAOYSA-N 293.395 3.764 30 20 CHED CCc1noc(CSCc2ccc(Cl)cc2C#N)n1 614063326 QWKNOQXRAIBHBS-UHFFFAOYSA-N 293.779 3.590 30 20 CHED C=C[C@@H](CC(=O)NCCOC(C)(C)CC)c1ccccc1 457345263 OZXFINDNCDGTLS-HNNXBMFYSA-N 289.419 3.668 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](C)C1CCC1 457496013 IKKWOEFKVNMRRM-HNNXBMFYSA-N 271.404 3.680 30 20 CHED CC(C)(CCNc1ccc(C#N)nc1)c1ccccc1 610541559 GSYCASHDKYXRAA-UHFFFAOYSA-N 265.360 3.733 30 20 CHED CC[C@@H](NCC[C@@H]1CCCCO1)c1ccc(C#N)cc1 278871356 WZLFDIFKZNAQID-DLBZAZTESA-N 272.392 3.558 30 20 CHED CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCC#N 362208172 OYXRXNHZCXEXDO-INIZCTEOSA-N 276.355 3.675 30 20 CHED C=C(C)CNC(=O)c1ccc(C)c(Cl)c1Cl 450773643 BLFUXMCOSXLWMQ-UHFFFAOYSA-N 258.148 3.608 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(F)cc(F)c1OC 540559166 QUAIIDGFGGIBTM-SNVBAGLBSA-N 298.333 3.840 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)cc1Br 276386582 ZWVXWKYGRRRIJS-UHFFFAOYSA-N 297.196 3.797 30 20 CHED Cc1cccc([C@H]2CCN(c3nccc(C)c3C#N)C2)c1 542276817 BPIRPYMBIAEYNL-INIZCTEOSA-N 277.371 3.564 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(OCC)c(F)c2)no1 453162737 GPSCVQPHQJUYSB-UHFFFAOYSA-N 276.311 3.738 30 20 CHED C=CCN(CCc1ccccc1)Cc1cnc(C2CC2)nc1 459317945 BNELDCYMRJJIPR-UHFFFAOYSA-N 293.414 3.585 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CCc2sc(Cl)cc21 454996796 OSCSOXCAIHNTRS-JTQLQIEISA-N 284.812 3.654 30 20 CHED C=CCN(C)Cc1ccc(OCc2ccccc2)cc1 548298303 IRYZIQAPURSRBN-UHFFFAOYSA-N 267.372 3.883 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cc(SC)ccc1C 275450683 LRMJSISBDIWWMA-MRXNPFEDSA-N 293.432 3.884 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](C(C)C)[C@H]1C(C)C 456323329 HGVRUZHNCRXCRI-SJLPKXTDSA-N 295.467 3.888 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 278950197 OKKPHAVHMKFLGP-RDJZCZTQSA-N 283.415 3.749 30 20 CHED Cc1ccnc(N2CC[C@@H]2c2ccc(Cl)cc2)c1C#N 273424210 ZHONWQOPBOJARO-OAHLLOKOSA-N 283.762 3.867 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1ccc(Cl)cc1 466527410 LQKXENSCIGBWGH-ZDUSSCGKSA-N 281.783 3.580 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)NCCCC#N)cc1 273072858 VUYFRCVTSYBAII-CQSZACIVSA-N 272.392 3.724 30 20 CHED Cc1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)c1C#N 274170414 MQYXEXVHBIHLRY-WBVHZDCISA-N 293.370 3.594 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC(c2ccccc2)CC1 466367108 PLZXBIMBANUYJW-QGZVFWFLSA-N 286.419 3.930 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(Cc2cccnc2)CC1 374281289 AHNBODCERPSREO-UHFFFAOYSA-N 298.430 3.631 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](CC)Oc1cccc(C)c1 466534938 UYGJMYKGGKQONQ-GOEBONIOSA-N 275.392 3.623 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2ccccc2Cl)no1 284930548 CDUPTHJJLYTLPH-CQSZACIVSA-N 275.739 3.505 30 20 CHED C=CCN(C(=O)C[C@@H]1OCCc2ccccc21)C(C)(C)C 622944387 PZNGLFSNVRCUAG-INIZCTEOSA-N 287.403 3.504 30 20 CHED COc1cc(C)ccc1CN[C@H]1CCc2ccc(C#N)cc21 554983190 WMDAUYFDMSTORO-SFHVURJKSA-N 292.382 3.652 30 20 CHED C=C[C@@H](C)NC(=O)N(Cc1ccccc1F)CC(C)C 464754279 FLEFIYNIZZKQPU-CYBMUJFWSA-N 278.371 3.568 30 20 CHED CCc1ccc([C@H]2CCCN(c3ncccc3C#N)C2)cc1 553723910 WKQSFEGMWYBEKY-SFHVURJKSA-N 291.398 3.900 30 20 CHED Cc1ccncc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 370814485 KYYUHKCFTIYHDE-OALUTQOASA-N 291.398 3.662 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H](c2ccccc2C)C1 466397277 STFRZBHMXRPEIV-HZPDHXFCSA-N 286.419 3.849 30 20 CHED C=C(C)CCc1noc(-c2coc(SC)c2)n1 632137268 JTTOPHOCPYGGDC-UHFFFAOYSA-N 250.323 3.560 30 20 CHED C=CCN(Cc1c(Cl)cccc1OC)CC(F)(F)F 558724861 FLHIYDWKOMMDPB-UHFFFAOYSA-N 293.716 3.899 30 20 CHED C[C@@H](C(=O)N1CCCC12CCCCC2)c1cccc(C#N)c1 462264968 DPNLPRKOOHKSOH-OAHLLOKOSA-N 296.414 3.987 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1SCCc2sccc21 281050644 KEMSLHLETHGVRN-GWCFXTLKSA-N 281.446 3.549 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2c(C)[nH]c3ccccc23)no1 288982129 ROZXMZUWKMTLIN-KRWDZBQOSA-N 294.358 3.641 30 20 CHED CCN(CC)C[C@H]1CCCC[C@H]1NCc1ccccc1C#N 559328313 LGRVQNKPHKUYJZ-RTBURBONSA-N 299.462 3.548 30 20 CHED C=CCCCCNC(=O)[C@H](C)Cn1ccc2ccccc21 556989752 DXIFVGVTJMXMNE-OAHLLOKOSA-N 284.403 3.750 30 20 CHED COc1cccc(C2CCN([C@H](C)CCC#N)CC2)c1 297728768 BWHBUEOVDDLGJG-CQSZACIVSA-N 272.392 3.567 30 20 CHED C#CCCCCN[C@H](C)c1nccc2ccccc12 290666821 KZVMIYNZWAURNO-CQSZACIVSA-N 252.361 3.689 30 20 CHED C=C(C)COC(=O)c1cc(F)c(Cl)cc1Cl 804631047 NKRAFFPLZCSFGT-UHFFFAOYSA-N 263.095 3.865 30 20 CHED CC(C)COCCON=C(c1ccccc1)C(F)(F)F 800197727 IWKMXDCFDCLCNU-UHFFFAOYSA-N 289.297 3.642 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2ccc3ccccc3c2)nn1 806569364 SASSZFOFMACPDN-MDZDMXLPSA-N 291.354 3.908 30 20 CHED C=CCCc1noc(C[C@H](C)c2ccc(OC)cc2)n1 297368487 QGOZHMKRRDMDOH-LBPRGKRZSA-N 272.348 3.543 30 20 CHED CC#CC(=O)N(Cc1ccccc1Cl)C1CCCC1 801151947 XUGHPMAWGSBHCI-UHFFFAOYSA-N 275.779 3.635 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1 294437622 GESZZULFSRRNGL-DOMZBBRYSA-N 293.382 3.620 30 20 CHED C=CCC[C@@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccccc1 292954818 OOZYXYOCIMDXTJ-OAHLLOKOSA-N 298.434 3.899 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H](F)c2ccccc2)cc1 809258756 GOBPFONLWOJXAQ-SJORKVTESA-N 296.345 3.641 30 20 CHED C=CCn1c(C)nnc1N(CCC(C)C)C1CCCC1 567882486 AWKVCUMZJVQLDC-UHFFFAOYSA-N 276.428 3.568 30 20 CHED CC[C@H]1CCC1=NNc1ncnc2sc(C)c(C)c12 807948291 DBVDCYULZCNXTK-JTQLQIEISA-N 274.393 3.896 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@]23CCC[C@H]2C3)cc1 567613521 YKPQIZUCNBSNPG-TXPKVOOTSA-N 296.414 3.855 30 20 CHED C[C@H](C#N)OCCSCc1nc(Cl)ccc1Cl 802751729 OQFYNUBHQSIFQW-MRVPVSSYSA-N 291.203 3.550 30 20 CHED N#CCCCC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 291843444 FVCHQCWFWVOBKQ-KRWDZBQOSA-N 290.366 3.859 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1 294182067 NQUIMXAWFOYGJF-DOTOQJQBSA-N 299.414 3.721 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2)c(C)c1OC 806569059 IXBHLBIUAQBDJU-LUAWRHEFSA-N 282.339 3.908 30 20 CHED C=CCCCCCCCCNC(=O)N1CCCOC[C@@H]1C 806081572 PNUDVSDUVRHDPX-INIZCTEOSA-N 296.455 3.724 30 20 CHED CC#CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 801181843 FHAMPZNWSPAVGK-HNNXBMFYSA-N 293.366 3.505 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCS[C@H](c2ccccc2)C1 644642609 LGYWOPDNOTXURB-HNNXBMFYSA-N 289.444 3.905 30 20 CHED COc1cccc(CC(=NOC/C=C/Cl)C2CC2)c1 811670406 RNRATZZBKWNWLR-LCDXFRKGSA-N 279.767 3.773 30 20 CHED Cc1cc(-c2nnco2)ccc1NC1CCC(C)(C#N)CC1 563678462 RYFFUVYFVOXXSP-UHFFFAOYSA-N 296.374 3.929 30 20 CHED CC(CCCCCCC(=O)O)=NNc1ccc(Cl)nc1 814858530 AQVSEUXMYMGBOW-UHFFFAOYSA-N 297.786 3.948 30 20 CHED CC(C)N(CCC#N)CCc1cccc(Cl)c1 562679519 UQGGTELHJDRQRI-UHFFFAOYSA-N 250.773 3.507 30 20 CHED Cc1ccc(C)c(NN=C2CC[C@H](CC(=O)O)[C@H]2C)c1 814753772 ZJOCSAPYMZYTTO-CHWSQXEVSA-N 274.364 3.592 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H](c2ccccc2)CC1 815318284 JUFMDTPRYLQQAC-HNNXBMFYSA-N 293.357 3.994 30 20 CHED COc1cccc(NN=C2CCC[C@@H]2C(C)(C)C#N)c1 814777857 YQTIBLHCDHUNGL-AWEZNQCLSA-N 271.364 3.813 30 20 CHED COc1cc(C#N)ccc1COc1cc(Cl)cc(C#N)c1 487254185 XQZPDDNHQNBXOS-UHFFFAOYSA-N 298.729 3.671 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 579112145 ARKBIRKQHYKDMJ-CZUORRHYSA-N 288.366 3.899 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)c1cccc(C#N)n1 810650349 QZGJBCRGVULPMO-WBMJQRKESA-N 292.338 3.667 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](CC)c1ccccc1 489940144 GCFRJRCMACUHBC-OAHLLOKOSA-N 259.393 3.899 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OCC)c1 489485199 GRVAPGCOYWJEBL-AWEZNQCLSA-N 290.363 3.534 30 20 CHED c1ccc([C@H]2CCC(=NNCCc3ccncc3)C2)cc1 814924978 KHAQTBFVBKYMLM-KRWDZBQOSA-N 279.387 3.537 30 20 CHED CCc1nc([C@H](C)NCc2ccc(C#N)c(C)c2)cs1 488266230 OKTOBBHRPDLJIL-LBPRGKRZSA-N 285.416 3.736 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(N2CCCCC2=O)cc1 810129966 SEINJLZDGIEVLA-HNNXBMFYSA-N 286.419 3.820 30 20 CHED C=C[C@@H]1CCCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 486462159 AMTSJFGDSICRIS-CYBMUJFWSA-N 283.331 3.688 30 20 CHED C#CCCCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C 817761383 LXJPWIRLGTWFEF-UHFFFAOYSA-N 269.344 3.504 30 20 CHED C=CCCCCCN(C)Cc1cnc2ccccc2n1 659948186 SVFDMANCLPODCM-UHFFFAOYSA-N 269.392 3.808 30 20 CHED CC(C)n1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cn1 578935057 YJRUAESVQPXDHU-UHFFFAOYSA-N 296.374 3.517 30 20 CHED C=CCCC[C@H](C)N1CCC[C@H](C(C)(C)C(=O)O)C1 652497763 GVLCEOMTAHMMNU-KBPBESRZSA-N 267.413 3.554 30 20 CHED COCC(=NNc1ccc(F)c(F)c1F)C1CCCC1 814945484 YAJGUCXVXOWWLS-UHFFFAOYSA-N 286.297 3.708 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(OC)c1C 487894731 HFCMCPKESHCQFM-CQSZACIVSA-N 288.391 3.884 30 20 CHED Oc1cccc2c1CCC2=NNc1cccc2cnccc12 728432603 YPGYLQHVDZRIBZ-UHFFFAOYSA-N 289.338 3.703 30 20 CHED Fc1cc(Br)ccc1NN=C1CCCC1 728433211 XTBMQNWIQLAILA-UHFFFAOYSA-N 271.133 3.930 30 20 CHED C[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1C#N 481027401 VDNUAYWGIOQSJK-XHDPSFHLSA-N 262.784 3.880 30 20 CHED CC(C)c1cnc(C=NOCc2ccc(F)cc2)s1 814903264 ASUYZAKMZAJJCI-UHFFFAOYSA-N 278.352 3.956 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](C)CSc1ccccc1 653317736 GMAYWXDCEYMSIS-UONOGXRCSA-N 292.448 3.773 30 20 CHED CC(C)(C)CN(CCC#N)C(=S)Nc1ccccc1F 729646317 RBRJXGSWBORQKA-UHFFFAOYSA-N 293.411 3.784 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C)cnc2Cl)C1 822861127 BNWKKEDAWAWEMW-LBPRGKRZSA-N 293.798 3.863 30 20 CHED CCn1c(C)cc(C=NNc2oc(C(C)C)nc2C#N)c1C 728226066 GPQJNNTZDYSLDV-UHFFFAOYSA-N 299.378 3.554 30 20 CHED C[C@@H](CN1CCCC(C)(C)[C@H]1C#N)c1ccc(F)cc1 577179957 SWGNMFIMSSJBTN-XJKSGUPXSA-N 274.383 3.943 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)Cc1ccccc1Cl 822528687 IJEXJPNARSMOHB-NSHDSACASA-N 265.784 3.599 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)NCC(C)(C)C#N 497606603 GGUNHOALIRNCCA-ZDUSSCGKSA-N 279.428 3.584 30 20 CHED C#CCCCNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 823163344 HXFJGPXHJFCRMN-INIZCTEOSA-N 284.403 3.583 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccsc1)C(C)(C)C 661135111 BAVYZPBOGHYPIG-CQSZACIVSA-N 267.438 3.676 30 20 CHED N#Cc1ccc(NC(=O)c2cc3occc3s2)cc1F 589801390 ZNXFGFJINQHWLK-UHFFFAOYSA-N 286.287 3.757 30 20 CHED C#CC[C@H](NC(=O)N[C@@]1(C)CC=CCC1)c1ccccc1 838535009 LGMGQZYCKDKDJH-WMZOPIPTSA-N 282.387 3.549 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccc(C)cc1 730148284 PNGUPYMNQBKAPE-UHFFFAOYSA-N 275.355 3.801 30 20 CHED N#Cc1cc(Cl)ccc1NCCNc1ccccc1 736294859 QFXZMPKXSPANJL-UHFFFAOYSA-N 271.751 3.736 30 20 CHED CC(=NNc1cnnc2ccccc12)c1ccccc1C 733748206 LMZCABHSLLKEFZ-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1 731557023 YMMQWYPMCJNQQL-QGZVFWFLSA-N 295.338 3.875 30 20 CHED C=CC[C@H](C)NC(=O)/C=C(\C)c1ccccc1Cl 735065540 DZPOTAMLJZWQLE-IIANPFDCSA-N 263.768 3.824 30 20 CHED C=C(CNCC1=Cc2ccccc2OC1)c1ccccc1 588178575 ADYXDRGOSKPDJO-UHFFFAOYSA-N 277.367 3.765 30 20 CHED C[C@@H](C[C@@H]1CCOC1)Nc1ccc(C#N)cc1C(F)(F)F 589583920 GOWGOFFWJOTSPK-JQWIXIFHSA-N 298.308 3.804 30 20 CHED C=C(CC)CN[C@@H](C)c1cc(Br)ncc1F 834904296 WOHMDDBIMYWYIG-VIFPVBQESA-N 287.176 3.600 30 20 CHED C=CCCCOC(=O)c1cc(Cl)c2c(c1)OCCCO2 735531875 IQAJUWSWYBYCKU-UHFFFAOYSA-N 296.750 3.624 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2nncc3ccccc23)o1 732762451 YOHLVMUERIOZQX-XHDPSFHLSA-N 292.342 3.792 30 20 CHED CC1(C)CN(c2ccnc(C#N)c2)[C@@H]1c1ccccc1 911751106 IOBLDCLMWPDUMW-MRXNPFEDSA-N 263.344 3.541 30 20 CHED CCCCCC[C@@H](CC)C(=O)Nc1ccc(C#N)cn1 735009674 HWGHUFVWCVIZKZ-CQSZACIVSA-N 273.380 3.888 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCc1ccc(C#N)cc1 835145233 NDLQUMKTFDAATB-LBPRGKRZSA-N 285.265 3.580 30 20 CHED CC(C)(C)OC(=O)c1cccc(NCC2(CC#N)CC2)c1 594705091 RTAQXNCHQWOBOQ-UHFFFAOYSA-N 286.375 3.748 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)NC(C)(C)CCC 743200417 ZJILDSFAHIBYQX-UHFFFAOYSA-N 292.354 3.538 30 20 CHED CC(CCCc1cccnc1)=NNCc1ccccc1 834927623 DZSACFHCOHGEHL-UHFFFAOYSA-N 267.376 3.570 30 20 CHED CC(C)c1nc(C#N)c(NN=CC2CCCCC2)o1 745612150 RQUPOYHDXGGBKN-UHFFFAOYSA-N 260.341 3.648 30 20 CHED CC[C@H](C#N)C(=O)NCCCc1c(Cl)cccc1Cl 594396891 HFTALRXROJKJLJ-SNVBAGLBSA-N 299.201 3.592 30 20 CHED Cc1cc(NC(=O)CC2(C#N)CCCCC2)cc2n[nH]cc12 597456377 BRQRZAOSLBAHGN-UHFFFAOYSA-N 296.374 3.674 30 20 CHED N#Cc1ccc(C(=O)Oc2cccc(C(F)(F)F)c2)s1 749307844 HEGKWFVTNJVYJV-UHFFFAOYSA-N 297.257 3.858 30 20 CHED C=C(CNC(=N)Nc1ccc(C)c(C)c1)c1ccccc1 849077881 PNCXOMACXJICQM-UHFFFAOYSA-N 279.387 3.953 30 20 CHED Cc1c(C(=O)OCCCC#N)[nH]c2c(Cl)cccc12 840630892 BKQJYLCPENCOAR-UHFFFAOYSA-N 276.723 3.590 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCc3cc(C#N)ccc32)CC1 590653711 AYWSVJZJIBYXPO-IIIMJFFVSA-N 279.387 3.608 30 20 CHED C=C[C@H](C)ON=C(C)c1ccccc1OC(F)F 844622218 ADZINKZJRXQYFH-VIFPVBQESA-N 255.264 3.603 30 20 CHED CO[C@]1(C)CC(=NNc2c(F)cccc2F)C1(C)C 746576231 NIFKEUINJQBGOW-CQSZACIVSA-N 268.307 3.568 30 20 CHED C[C@@H]1Cc2cc(NCC(C)(C)CCC#N)ccc2O1 846749066 AWQXHVMXALQYDX-GFCCVEGCSA-N 258.365 3.752 30 20 CHED CCCCCCCCCN(C)C(=O)C[C@H]1CCCO1 918397601 HJPHSCTZKKTHBE-OAHLLOKOSA-N 269.429 3.765 30 20 CHED FC(F)(F)c1ccc(CON=Cc2ccccn2)cc1 746576181 HECAKHFQMUUALW-UHFFFAOYSA-N 280.249 3.651 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)CC1(C#N)CCCCC1 596734832 BCCGJSBNNSIVQJ-HUUCEWRRSA-N 276.424 3.888 30 20 CHED C#CC(C)(C)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 741695621 FZUWOULCWWUPPQ-LLVKDONJSA-N 297.320 3.727 30 20 CHED CC(C)Cn1nccc1/C=C1/CSc2ccccc2C1=O 843269386 PKCAPJNPTNFPNM-LCYFTJDESA-N 298.411 3.911 30 20 CHED COc1cccc(C=Nc2ccc(Cl)c(F)c2)c1O 915982906 HNGZEHDDXCSGTQ-UHFFFAOYSA-N 279.698 3.944 30 20 CHED C=CCCCCCCCNC(=N)NC1CCCC1 849085084 XBFRTDKLBRHHIO-UHFFFAOYSA-N 251.418 3.570 30 20 CHED C#CCOc1ccc(CN[C@@H](C)C[C@@H](C)CC)cc1 742380302 LHNVITVUMNEUOJ-GJZGRUSLSA-N 259.393 3.613 30 20 CHED CC[C@@H](CSc1cccnc1C#N)CC(F)F 594902239 CEEILWPMZIRGKB-SECBINFHSA-N 256.321 3.727 30 20 CHED CC(C)c1ccc(C=Nn2c(S)nnc2C(C)C)cc1 916312695 KKSWCOFQJYCDGL-UHFFFAOYSA-N 288.420 3.696 30 20 CHED CCC(C#N)(CC)C(=O)N(CCC(F)(F)F)CC1CC1 599647927 OJCODQIAKWLUDI-UHFFFAOYSA-N 290.329 3.507 30 20 CHED C#CCOc1ccc(CNCc2cc(C)sc2C)cc1 742373326 KFEGKQJCGIIJGR-UHFFFAOYSA-N 285.412 3.667 30 20 CHED C=CCN(C(=O)c1ccc(CSC)cc1)C(C)C 914682720 CBGXLFLSJFRQSE-UHFFFAOYSA-N 263.406 3.586 30 20 CHED CCOc1cccc(/C=N/C[C@H](C)CC(F)(F)F)c1O 840714188 YBRPGFQZQBLMEX-SVXRXWARSA-N 289.297 3.798 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2scnc2C)c1 742431048 GMUAIBIKPQQOFO-VOTSOKGWSA-N 257.358 3.964 30 20 CHED N#CCC[C@H](NC(=O)N1C[C@@H]2CCCC[C@@H]21)c1ccccc1 596504950 RADZBCJPLUMOFK-ULQDDVLXSA-N 297.402 3.615 30 20 CHED CCN(Cc1ccc(C#N)cc1C)Cc1occc1C 591053407 SYPFBBXSPAZBET-UHFFFAOYSA-N 268.360 3.790 30 20 CHED C=CCN(C(=O)CCc1ccc(Cl)s1)C(C)C 916046947 BXWFYEPKMMJEMB-UHFFFAOYSA-N 271.813 3.757 30 20 CHED C=CC[C@H](NC(=O)N1C[C@@H](C)CC1(C)C)c1ccncc1 746765808 KUEPDELBCFAKSU-ZFWWWQNUSA-N 287.407 3.529 30 20 CHED Cc1ccc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 917559271 JGIFLRVOAQAIGK-HJPCULJESA-N 284.315 3.789 30 20 CHED C=CCCCC(=O)NCc1ccnc(Oc2ccccc2)c1 748296022 AYMAQEBPDSKYPT-UHFFFAOYSA-N 296.370 3.846 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1O 841762121 LYQQQNUHPKZALO-ACJLOTCBSA-N 292.382 3.992 30 20 CHED C=CCN(CCOC)C(=O)Nc1c(C)cc(C)cc1Cl 683002561 MMSZGVMZMNPGIE-UHFFFAOYSA-N 296.798 3.623 30 20 CHED CC(=NNc1cc(CO)ccc1Br)C1CCC1 841655761 XOXYAYKYKUDYGD-UHFFFAOYSA-N 297.196 3.529 30 20 CHED C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 846964730 RFEWWXMICADPAC-MWDXBVQZSA-N 293.451 3.521 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C 596636494 MHKGUUMNEXBZKZ-UHFFFAOYSA-N 291.351 3.770 30 20 CHED N#Cc1csc(/C=C2/CCc3cc(C#N)ccc3C2=O)c1 748440892 SIRQKJBSTATDQB-AUWJEWJLSA-N 290.347 3.704 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 747695534 XLZLAFPCUXICGU-NWDGAFQWSA-N 295.379 3.558 30 20 CHED CC(=NNc1ccnc(F)c1)[C@@H]1C[C@H]1c1cccs1 841632226 CRSFYDBOJGFERV-NWDGAFQWSA-N 275.352 3.874 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(-c2ocnc2C)cc1 928818004 XZXORDZMKFYEDO-UHFFFAOYSA-N 282.343 3.638 30 20 CHED CO[C@H](C=NNc1ccc(F)cc1C)CC(C)C 841632483 KRKOEMQLATZEIP-ZDUSSCGKSA-N 252.333 3.593 30 20 CHED CCCCCCCCCNC(=O)c1c(F)ccnc1F 847321461 SMKZBNCYEBDJEE-UHFFFAOYSA-N 284.350 3.840 30 20 CHED CC(Cn1nc(C)cc1C)=NOC/C=C\c1ccccc1 920400231 FJDOFQXQNZXSHC-IHXUAODESA-N 283.375 3.606 30 20 CHED CCSc1ccccc1CCN[C@H]1CC[C@H](C#N)C1 926920529 RAZBATYOUILCPM-ZFWWWQNUSA-N 274.433 3.623 30 20 CHED C=CCCOC(=O)CCCc1cc(C)sc1C 753396151 MBWTVVQCTKFILV-UHFFFAOYSA-N 252.379 3.807 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1cnc(COC)s1 851143901 OKBFOWUTQRAAML-RYUDHWBXSA-N 295.404 3.581 30 20 CHED C=CCSc1ccccc1C(=O)N1[C@H]2C=CC[C@H]1CC2 681636787 JMSIHIOFTMBGQM-KBPBESRZSA-N 285.412 3.898 30 20 CHED C=C[C@@H](C)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 925254721 ABUBFLCBOXPWMA-BPIHKTFHSA-N 284.447 3.736 30 20 CHED C[C@H]1OCCC1=NNc1nc2ccc(Cl)cc2s1 853438593 HKZAUSHHCZYYRB-SSDOTTSWSA-N 281.768 3.526 30 20 CHED N#CCOC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 750237017 HDCSQCXTQYJGDU-UHFFFAOYSA-N 287.702 3.813 30 20 CHED C=CCCO[C@H](C)C(=O)N(c1ccc(C)cc1)C(C)C 751129211 VBYAVMAOFGWZIJ-OAHLLOKOSA-N 275.392 3.718 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)[C@H]1CCOC1 751894875 FFZWLASIJRVCPJ-VIFPVBQESA-N 273.163 3.818 30 20 CHED CC(=O)CCCCCCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 754426870 MODYYLGOFUXRBQ-PBHICJAKSA-N 292.423 3.505 30 20 CHED Fc1ccc(/C=C\C=NOCC(F)(F)F)c(F)c1 758128932 MISHZFAPQQCSLS-BLHWGTMWSA-N 265.181 3.543 30 20 CHED N#CCc1ccc(C(=O)Oc2cccc(Cl)c2)cc1 759746413 YMDISZHYEVPLHS-UHFFFAOYSA-N 271.703 3.625 30 20 CHED CCc1cccc(N=Cc2cc(OC)ccc2O)c1 920943368 WPPZBBGITNPIEP-UHFFFAOYSA-N 255.317 3.714 30 20 CHED COC1(C(C)=NNc2cccc3cnccc23)CCC1 853302677 KVHQITMKXOHYRD-UHFFFAOYSA-N 269.348 3.592 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCCSC1 754860933 BHXIDXHSSPGMAM-CYBMUJFWSA-N 272.458 3.542 30 20 CHED C=CC(C)(C)CCOC(=O)[C@@H](OC)c1cccc(OC)c1 851301200 SZQYMIQBNOPLRW-HNNXBMFYSA-N 292.375 3.528 30 20 CHED Cc1cccn2c(/C=C3\CCCC(C)(C)C3=O)cnc12 757535854 WWERIKAJNFLZCP-JLHYYAGUSA-N 268.360 3.805 30 20 CHED C=CCC[C@H](C)NCc1cccc(O[C@H](C#N)CC)c1 756709304 KQJYUZUIFTVAJN-HOCLYGCPSA-N 272.392 3.812 30 20 CHED C/C(=C\C(=O)OCC1(C#N)CCCCC1)c1ccco1 850932068 HUUUPHYOIKLODE-JLHYYAGUSA-N 273.332 3.700 30 20 CHED C=C[C@@H](CC(=O)NCCNc1ccccc1)c1ccccc1 759131182 DDCSVSYUMSRIPW-INIZCTEOSA-N 294.398 3.575 30 20 CHED CCCCCCCCCn1c(-c2ccccn2)noc1=O 750948407 DVGFAVVETRXITG-UHFFFAOYSA-N 289.379 3.649 30 20 CHED C[C@@H]1CC(=NNc2c(F)cccc2Cl)CN1C1CC1 769826313 DOPICHVJQKGTFS-SECBINFHSA-N 281.762 3.504 30 20 CHED C#Cc1ccc(NC(=O)N[C@](C)(CC)c2nccs2)cc1 934935976 IGWARZBCEQLUAX-MRXNPFEDSA-N 299.399 3.571 30 20 CHED CCC[C@H](C=NNc1oc(C)nc1C#N)c1ccccc1 769568665 APCMZZNNGFENJR-CQSZACIVSA-N 282.347 3.836 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1 767731374 WSRJFAVVOPQFTE-KPKJPENVSA-N 280.323 3.678 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1ccccc1C#N 761490461 DSFPMFSFVURHNJ-GFCCVEGCSA-N 259.349 3.674 30 20 CHED CC#CC(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 764469675 FASRMVRNEVYKSX-CQSZACIVSA-N 297.320 3.932 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](c1ccccc1)[C@H](C)CC 761350815 YORNBWFHLBGYEX-RHSMWYFYSA-N 288.387 3.895 30 20 CHED CCCCCCCN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 766257308 QGZBLHHQMKPDJD-HNNXBMFYSA-N 290.455 3.832 30 20 CHED CC(CCc1ccsc1)=NO[C@@H]1CCCCO1 764909009 ZMONMIIFYBYVBO-CYBMUJFWSA-N 253.367 3.600 30 20 CHED CON(CCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 932537457 RKKLTDOEZXOCDI-JTQLQIEISA-N 272.270 3.543 30 20 CHED C#CCCCCNC(=O)c1cc(-c2ccccc2)oc1C 860019805 AMZQNIRJEWLIKU-UHFFFAOYSA-N 281.355 3.788 30 20 CHED Cc1cc(/C=C2/Cc3c(C)cccc3C2=O)ccc1C#N 766488930 AHTRXFPVHKFDRP-SXGWCWSVSA-N 273.335 3.998 30 20 CHED N#CC1(CCCCN[C@H](CCO)c2ccccc2)CCC1 930190098 GDNFELVXYSVRDW-QGZVFWFLSA-N 286.419 3.564 30 20 CHED C#Cc1cccc(NCc2ccc(OCOCC)cc2)c1 766447453 QZFRZJPTXDWRQR-UHFFFAOYSA-N 281.355 3.653 30 20 CHED Cc1ccc2c(c1)OCCCC2=NNc1ccccc1 763105244 ONSMXQKELGKJJT-UHFFFAOYSA-N 266.344 3.984 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2nncc3ccccc23)C1 768352894 TVNSPBBFZRCJQF-CHWSQXEVSA-N 268.364 3.854 30 20 CHED Fc1ccccc1CCNN=Cc1ccc2ccccc2n1 764721282 DANCRNZGDLKLEQ-UHFFFAOYSA-N 293.345 3.540 30 20 CHED CC(=NNc1nc2ccccc2s1)c1sccc1O 769766538 NMLWTVTZSMHUGU-UHFFFAOYSA-N 289.385 3.900 30 20 CHED Cc1cc(C#N)ccc1CSCC[C@H]1CCOC1 1117975816 WROBLKQKCVATDH-CYBMUJFWSA-N 261.390 3.527 30 20 CHED CC(Cc1cccs1)=NNc1ncnc2ccsc12 764834766 GSKWKQONTSDOFW-UHFFFAOYSA-N 288.401 3.783 30 20 CHED Cc1cccc(F)c1NN=C1C(=O)Nc2c(C)ccc(C)c21 769840523 LLLJCBLXOAMQNR-UHFFFAOYSA-N 297.333 3.519 30 20 CHED C#CCOc1ccc(CNc2cccc3cnccc23)cc1 770482067 JPUYCVRENZMPHH-UHFFFAOYSA-N 288.350 3.859 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-n2ccnc2)c(F)c1 779853916 BPPQAEGCCCVUHD-UHFFFAOYSA-N 299.349 3.534 30 20 CHED Cc1c(C(=O)/C=C/c2cc3cc(F)ccc3o2)cnn1C 778517122 HBMTXRVTZYAVPB-SNAWJCMRSA-N 284.290 3.510 30 20 CHED C=CCN(C(=S)Nc1ccc(Cl)cc1)C1CC1 771546033 XSPRXDZAWGVWIL-UHFFFAOYSA-N 266.797 3.687 30 20 CHED N#CCC[C@H](NCc1nc(Cl)cs1)c1ccccc1 877115116 BNOFLVSTPBASKA-LBPRGKRZSA-N 291.807 3.931 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1cc(C)c(OC)cc1C 770026629 KREZYULFNLQZHV-AWEZNQCLSA-N 292.375 3.509 30 20 CHED C[C@@H](CCC#N)CNCc1ccc2ccccc2c1 876984996 RSAVODACWZYKPH-AWEZNQCLSA-N 252.361 3.869 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 771018941 WNCHTCWJRSZDTO-FVQBIDKESA-N 269.344 3.684 30 20 CHED Cc1ccccc1OCCCC(=O)OCCC(C)(C)C#N 776373851 YXESAWGYNOVVPL-UHFFFAOYSA-N 289.375 3.637 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccc(F)c(F)c3)o2)cc1 1117214443 SAPICTDTVNVUCG-UHFFFAOYSA-N 283.237 3.553 30 20 CHED CCC(C)=NNc1nc2ccc(OC)cc2cc1C 777912310 UWMNNSBWPPUDME-UHFFFAOYSA-N 257.337 3.750 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc([N+](=O)[O-])cc2F)c1 777876954 FJQYABUEBVSCLS-UHFFFAOYSA-N 287.294 3.797 30 20 CHED C[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1cccc(F)c1 776390290 UVSDWIKMYMRKKR-WBMJQRKESA-N 289.350 3.945 30 20 CHED C=C(Cl)CN[C@H](c1ccc(F)c(C)c1)C1CC1 774450455 UYKHGUPNEJCVBN-AWEZNQCLSA-N 253.748 3.927 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1F 776728047 CCDCPGOXTMQOOY-QHHAFSJGSA-N 287.240 3.872 30 20 CHED CC(C)CN(CC(C)C)C(=O)c1cccc(CC#N)c1 58242589 VYPLNPDXTORXBS-UHFFFAOYSA-N 272.392 3.507 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)/N=C\c1ccccc1O 775628937 BYPLWKUQQLLOBG-KJOMXZFQSA-N 287.334 3.726 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H]1CSc2ccccc21 880155221 SALPAWFVAYUSGA-GFCCVEGCSA-N 275.417 3.594 30 20 CHED Cc1ccc(C[C@H](C)C(=O)OCCC(C)(C)C#N)cc1 778876202 BHQVWCKPYXMWJI-AWEZNQCLSA-N 273.376 3.657 30 20 CHED C=CCCCC(=O)OCc1ccccc1SC 781247957 JKTBGVVMDVDBJL-UHFFFAOYSA-N 250.363 3.808 30 20 CHED CC(=NNc1ccnc2cc(Cl)ccc12)[C@@H]1CCCO1 783782302 CYBNABPAPZESHY-HNNXBMFYSA-N 289.766 3.855 30 20 CHED C=CCN(C(=O)c1ccc(C)c(C)c1Cl)C(C)C 783414432 OJSKDWVEFBRQLU-UHFFFAOYSA-N 265.784 3.993 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(COC)c1 1123400766 YCDQZWLOQVZUHT-INIZCTEOSA-N 288.391 3.796 30 20 CHED CC(C)(C)C1CCC(=NOC[C@@H]2CCOC2)CC1 788036944 PTBFNLBPVIPOJS-PZORYLMUSA-N 253.386 3.632 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ncsc2-c2ccccc2)C1 1122644819 ZOFYVXLUSPXRHJ-AAEUAGOBSA-N 298.367 3.659 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@@H](C)CSC 783873242 VKCUNNJGRDMHCH-AWEZNQCLSA-N 293.432 3.522 30 20 CHED C[C@@H]1C[C@H](CC/N=C\c2cc(Cl)ccc2O)CCO1 783684674 GZIVTWVISGMXLS-RISRJPFHSA-N 281.783 3.670 30 20 CHED CC(=NNc1cccnn1)c1cc2ccccc2s1 780227863 UBGBVRXNAWDWRW-UHFFFAOYSA-N 268.345 3.527 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1cncs1 787171898 QHCUWQBVAXWPOP-SNAWJCMRSA-N 281.283 3.641 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)NCC(C)(C)CC#N 895302139 SXWVRDSFENHRNX-OAHLLOKOSA-N 285.391 3.603 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccccc1-c1cccs1 789837184 UJLNBBOWWCGGNZ-LLVKDONJSA-N 270.357 3.558 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C2CCC2)cc1 786233659 PZGIITYJNNHGHT-UHFFFAOYSA-N 264.756 3.828 30 20 CHED Cc1cnc(C[S@](=O)CCCCC2(C#N)CCC2)s1 899397499 RAURNGMSNGCBMB-LJQANCHMSA-N 296.461 3.564 30 20 CHED Cc1ccc([C@@H](NCc2ccc(C#N)cn2)C2CCC2)cc1 783292985 FCCFXNMMINUKSP-IBGZPJMESA-N 291.398 3.893 30 20 CHED Clc1ccc(C2CC(=NOC[C@@H]3CCOC3)C2)cc1 788034198 OOBDYSFDARUNIP-JTDNENJMSA-N 279.767 3.627 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(C2CCC2)cc1 791614310 UVTVQXCKLSYGJP-UHFFFAOYSA-N 272.344 3.646 30 20 CHED C[C@H](NC(=O)OCCc1ccccc1)c1ccc(C#N)cc1 1208555044 ILJFFSFJRHFKQU-AWEZNQCLSA-N 294.354 3.588 30 20 CHED C#CCCCNc1ccc(C(F)(F)F)c(OC)c1 790330899 BKANZHJZNQRBGJ-UHFFFAOYSA-N 257.255 3.539 30 20 CHED C=CCc1cc(CN(CC)CC2CCC2)c(O)c(OC)c1 794688785 REHDCDNXMHTACM-UHFFFAOYSA-N 289.419 3.751 30 20 CHED CCCc1ccc(C(=O)/C=C/c2c(C)cnn2C)cc1 794697115 IHKDQJAEHUPLQC-ZHACJKMWSA-N 268.360 3.577 30 20 CHED FC(F)C(F)(F)CN1CCC(CC(F)(F)F)CC1 792933941 PXIJBPFRRWFSMP-UHFFFAOYSA-N 281.215 3.551 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1ccnn1-c1ccccc1 798371341 LWSXRMDUOJITCH-KHPPLWFESA-N 299.333 3.640 30 20 CHED Cc1ccc(C#N)c(Oc2cc(F)cc(Cl)c2)n1 705876985 GNIMMCNCLHKBFF-UHFFFAOYSA-N 262.671 3.847 30 20 CHED Cc1cccc(COC(=O)C[C@H](CC#N)c2ccccc2)n1 795982841 OCEJQOWKUZILSE-INIZCTEOSA-N 294.354 3.521 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)c1ccc(C(C)(C)C)cc1 795471188 XLFCTRPHFIFNQZ-QGZVFWFLSA-N 272.392 3.887 30 20 CHED Cn1nccc1[C@H]1CCCC(=NOC2CCCCC2)C1 790298635 OBPAAZMJHUSUTA-ZDUSSCGKSA-N 275.396 3.783 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2)c(F)c1 1141194642 HIJIXNSUHSXVIN-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CC(=NNc1nccnc1C(C)C)c1coc(C(C)C)n1 799484679 AODIWQDWPLBFAK-UHFFFAOYSA-N 287.367 3.548 30 20 CHED Cc1ccccc1C[C@@H](C)NCc1cc(C#N)cs1 93492408 ONNITJZKPUEVJS-CYBMUJFWSA-N 270.401 3.649 30 20 CHED C[C@H](Cn1cc(C#N)c2ccccc2c1=O)C(C)(C)C 1307374924 ZSCXVQNYMKMSNW-GFCCVEGCSA-N 268.360 3.555 30 20 CHED CCc1nc(C#N)cc(NCC[C@H]2CCCC[C@H]2C)n1 1306970388 QKEWYSOJJLUNEA-CHWSQXEVSA-N 272.396 3.539 30 20 CHED N#Cc1cccc(-c2nnc([C@@H]3C[C@@H]4C=C[C@H]3CC4)o2)c1 1327864430 LDKYUJSYFDPRFF-OSAQELSMSA-N 277.327 3.678 30 20 CHED C=CCCCCNC(=O)c1c(C)[nH]c2ccc(OC)cc12 1320489259 DHHQPOBOMOXIHP-UHFFFAOYSA-N 286.375 3.571 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(OCC#N)cc2)CS1 1326304849 HQWAHJNGVMCIIR-HIFRSBDPSA-N 290.432 3.921 30 20 CHED Cc1ncccc1CSCCOc1ccc(C#N)cc1 1324223166 ZDWJHNRRNTVZRW-UHFFFAOYSA-N 284.384 3.574 30 20 CHED C[C@H](Cc1ccc(F)cc1)Nc1ccc(CC#N)cc1 133739871 NPAANJJPMFYKGT-CYBMUJFWSA-N 268.335 3.935 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(OCC(C)C)cc1 1320427928 NRAJDFGUYQCMOT-ZBFHGGJFSA-N 277.408 3.573 30 20 CHED COc1cc(/C=C\C(=O)c2cc(C)c(C)o2)ccc1F 1321360034 ZDVHOQDTLXLHQA-ALCCZGGFSA-N 274.291 3.940 30 20 CHED COc1cccc(NC[C@H](C)CCC#N)c1Br 1333001749 ZBXMFGSJWMGICR-SNVBAGLBSA-N 297.196 3.809 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1cnccc1C 1263723033 LVHPCNKGGPTWND-GJZGRUSLSA-N 287.407 3.591 30 20 CHED C=C[C@H](CC)CC(=O)O[C@@H]1CCCc2cccnc21 1263617247 AHJSNXTXVTVNHO-TZMCWYRMSA-N 259.349 3.605 30 20 CHED FC1(F)CCC(=NNCc2ccccc2Cl)CC1 1349296356 OQCLAPVWMUXXNF-UHFFFAOYSA-N 272.726 3.995 30 20 CHED C#CCCCC(=O)Nc1ccccc1C(C)(F)F 1344493478 BEGIAIKLKUQTSZ-UHFFFAOYSA-N 251.276 3.540 30 20 CHED Cc1ccc2c(c1)N(C(=O)[C@@H](CC#N)c1ccccc1)CC2 1357871925 VNCUUDPSXPFYQY-KRWDZBQOSA-N 290.366 3.582 30 20 CHED C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccoc1 1518102776 UTGVSMVVPFWOKR-GFCCVEGCSA-N 299.326 3.613 30 20 CHED CCC[C@H](C(=O)Nc1ccc(C#N)cc1C(C)=O)C(C)C 1525884654 WQXDJRCIFKBHCJ-AWEZNQCLSA-N 286.375 3.772 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(C)cc(C)c1 1526195329 ZBJQPWNOHYZKOE-UHFFFAOYSA-N 292.338 3.630 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 1525217971 BPZWLVRQANAJCC-OUCADQQQSA-N 293.313 3.550 30 20 CHED C[C@H](C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1523612721 SUOSOXGRRSBKQM-NSHDSACASA-N 284.746 3.954 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCc2c(C)cccc21 1465798333 BLHXQSTVODBXLZ-UHFFFAOYSA-N 291.354 3.770 30 20 CHED C[C@H](CC(=O)N(C)c1ccc(C#N)cc1)C(C)(C)C 111649865 VIHAJYXKPVDVFV-GFCCVEGCSA-N 258.365 3.593 30 20 CHED N#Cc1cccc(SCCCCC(=O)O)c1Cl 1601121126 DWYLDRDNJQWYMY-UHFFFAOYSA-N 269.753 3.559 30 20 CHED N#Cc1cccc(SCCc2ccccc2C(=O)O)c1 1610632306 JQWIZGUFANEENB-UHFFFAOYSA-N 283.352 3.591 30 20 CHED COc1ccccc1C[C@H](C)N[C@@H](C)CC(C)(C)C#N 1474486226 GSXBEBXMRGMKFZ-KBPBESRZSA-N 274.408 3.544 30 20 CHED CCCN(CCc1cccc(F)c1)c1nccc(C)c1C#N 1472691648 YZEYVGPNTISAAY-UHFFFAOYSA-N 297.377 3.860 30 20 CHED C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(CC#N)c1 1545048820 UGKMLPRDPBRDMD-ZDUSSCGKSA-N 296.345 3.709 30 20 CHED N#Cc1nc(NCCc2c(F)cccc2F)sc1Cl 1639302059 KJPQMPPNDCPFLJ-UHFFFAOYSA-N 299.733 3.601 30 20 CHED CC1(NCc2cc(C#N)ccc2Br)CCCC1 1560317289 LVKJGYCRDCAHPS-UHFFFAOYSA-N 293.208 3.743 30 20 CHED COc1ccc2ncc(C#N)c(OCc3ccccc3)c2c1 1644052048 PGVPSDZHMMVOCF-UHFFFAOYSA-N 290.322 3.694 30 20 CHED Cc1ccc2oc(CNc3cccc(C#N)n3)cc2c1 1642940097 LGXVKSKTESXOPG-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=C(Br)CN1CCc2cc(CC)ccc21 1656461283 QVWCVTWFKFMMLO-UHFFFAOYSA-N 266.182 3.520 30 20 CHED CC(=NOCc1ccc(C(=O)O)o1)c1cc2ccccc2o1 1589021641 RFXQFEUZTCHKQU-UHFFFAOYSA-N 299.282 3.665 30 20 CHED CN(Cc1ccccc1Cl)Cc1cc(F)ccc1C#N 229956147 OYPRVWQWLFEHLA-UHFFFAOYSA-N 288.753 3.983 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)cc1OC)C(C)(C)C 1587690356 LKHKNMOOISIMIQ-HNNXBMFYSA-N 288.391 3.511 30 20 CHED Cc1ccc(CC(C)(C)NCc2cccc(C#N)c2)cc1 1654774686 HTMCBBJHVIRLEH-UHFFFAOYSA-N 278.399 3.978 30 20 CHED Cc1cc(C#N)nc(NCC2CC(C)(C)CC(C)(C)C2)n1 1651224321 FMKTYGHXTPSNSA-UHFFFAOYSA-N 286.423 3.921 30 20 CHED C=C(C)CCS[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 1588424115 GDKFYCFENSOOPU-NSHDSACASA-N 274.393 3.627 30 20 CHED CN(C(=O)CC(C)(C)C#N)C1CC(C)(C)CC(C)(C)C1 1586962659 BOKNSEYMWAHNEL-UHFFFAOYSA-N 278.440 3.990 30 20 CHED Cc1ccc(C(=O)NCc2ccc3occc3c2)cc1C#N 1586919492 VGOFZZYKMHXNSC-UHFFFAOYSA-N 290.322 3.543 30 20 CHED Cc1cc(CNC[C@H]2CCC[C@H]2C2CC2)ccc1C#N 1662652290 JDARZYAKRLBOBQ-MSOLQXFVSA-N 268.404 3.783 30 20 CHED C[C@@H](CNc1cc(Cl)ccc1C#N)c1nccs1 230607093 PNXPTNUOIAEJCK-VIFPVBQESA-N 277.780 3.884 30 20 CHED CC[C@H]1CN(C[C@@H](C)CCC#N)c2ccccc2O1 1664398844 WZYAXBPAGCJZHT-KBPBESRZSA-N 258.365 3.604 30 20 CHED O=C(O)c1ccc(/C=C2\CCc3ccsc3C2=O)s1 1777673145 BOERAUYLDLGCIG-VQHVLOKHSA-N 290.365 3.720 30 20 CHED C=C[C@@H]1CCCN([C@@H](C(=O)O)c2cccc3ccccc23)C1 1776150518 UKGQIAQUGNWYAF-RDTXWAMCSA-N 295.382 3.864 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(F)c(C(=O)O)c2)c1 1776127073 GTQCPDLUIRSTKP-SOFGYWHQSA-N 284.286 3.728 30 20 CHED CC(C)CCC(=NNc1cccc(C(=O)O)c1)C1CC1 1776037154 CMNIZMGMIPZDFX-UHFFFAOYSA-N 274.364 3.999 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC[C@H]2CCC[C@@H](C)C2)C1 1776153272 ZBRIXLGKHQGTAO-NUJGCVRESA-N 293.451 3.946 30 20 CHED CCc1ccc(/C=C/C(=O)c2cc(C(=O)O)ccc2O)cc1 1776968906 KRBNQDROHLCYQQ-VQHVLOKHSA-N 296.322 3.549 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCc1cccc(Cl)c1 11182425 MKOCEGPFTCUSOI-CMDGGOBGSA-N 297.741 3.968 30 20 CHED CC(C)N(C)C(=O)[C@H](C)Sc1ccc(C#N)cc1Cl 163314473 FQQDZQMQUAXWKR-JTQLQIEISA-N 296.823 3.559 30 20 CHED COc1ccccc1/C=C1/CCc2c(OC)cccc2C1=O 208311853 KNSJGDZFXYHQOJ-OWBHPGMISA-N 294.350 3.916 30 20 CHED COc1cc(CNC(C)(C)CC(C)(C)C)ccc1C#N 234828218 HICIHHNEJGJCGC-UHFFFAOYSA-N 274.408 3.871 30 20 CHED C#CCCCCC(=O)NCc1cc(Cl)cc(Cl)c1 855151752 QVXHOOQBZHLNMI-UHFFFAOYSA-N 284.186 3.803 30 20 CHED Cc1noc(C)c1[C@@H](C)NCc1ccc(C#N)cc1Cl 162762394 CEKYUZIZTSAKLP-SECBINFHSA-N 289.766 3.667 30 20 CHED Cc1occc1CN(C)Cc1ccc(C#N)cc1Cl 162876860 SJKYTDXRHBYFHD-UHFFFAOYSA-N 274.751 3.745 30 20 CHED CCN(Cc1ccc(Cl)c(C)c1)C[C@H](C)C#N 180423375 AAWNLVTZNOPYFE-LLVKDONJSA-N 250.773 3.630 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc2cc[nH]c2c1 55277577 ILGMKKIJMJBRAV-UHFFFAOYSA-N 290.366 3.996 30 20 CHED N#Cc1cccc(C(=O)NCCCC2CCCCC2)c1 509471233 VPCCTMNMWGPEDA-UHFFFAOYSA-N 270.376 3.649 30 20 CHED CCCC[C@H](CC)C(=O)Nc1cccc(CC#N)c1 313458654 DXZQUJAKUHWVET-AWEZNQCLSA-N 258.365 3.908 30 20 CHED CCOc1ccc(CNc2cccc(CC#N)c2)cc1 313453653 VJDRTQPXOVQWDM-UHFFFAOYSA-N 266.344 3.763 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1sc2ccccc2c1Cl 701168525 CKGVPJXLSDNMMJ-QMMMGPOBSA-N 278.764 3.539 30 20 CHED C#C[C@@H](NCc1csc(C(F)(F)F)c1)C(C)C 703333451 GDVHEDUOYYNZIG-SNVBAGLBSA-N 261.312 3.514 30 20 CHED N#CCC1(CN2CCC(C3CCCCC3)CC2)CC1 708768625 UREZWLQWLTVATF-UHFFFAOYSA-N 260.425 3.973 30 20 CHED C=C(C)CN(CC)Cc1cccc(C(=O)OC)c1Cl 382506907 YINZCLVUTIRNCG-UHFFFAOYSA-N 281.783 3.525 30 20 CHED Cc1c(Cl)cccc1CN1CCC[C@@H](CC#N)C1 877622563 QKWVPJMRHSPSHE-ZDUSSCGKSA-N 262.784 3.774 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@H](C)C1 340924308 WTFKMXSZWLODAE-CHWSQXEVSA-N 260.356 3.565 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)c2ccccc2)c1O 103011978 ULPGNARTZYCJML-CYUIRQCWSA-N 269.344 3.971 30 20 CHED CC[C@H](C#N)NC(=O)CC1CCC(c2ccccc2)CC1 108264416 ZKMBCVUSDSNKRI-BDVYOWHSSA-N 284.403 3.769 30 20 CHED N#CCc1ccccc1C(=O)OCc1ccc(Cl)cc1 22679106 VGSNUWXTWSAWGT-UHFFFAOYSA-N 285.730 3.763 30 20 CHED C[C@H](NC[C@@H]1CCOc2ccccc21)c1ccc(C#N)cc1 174072300 CARNWIFEDWMJSC-YOEHRIQHSA-N 292.382 3.775 30 20 CHED C#CCOc1ccc(CNCc2ccc(Cl)cc2)cc1 113312746 SOBZUPYJFZHUIH-UHFFFAOYSA-N 285.774 3.642 30 20 CHED CC(C)[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)CC1 114822194 OKKYDRKERBWGFN-KRWDZBQOSA-N 299.418 3.526 30 20 CHED CCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 108903037 SXAUXMLPCIIGCH-QZTJIDSGSA-N 292.382 3.705 30 20 CHED CC[C@@H](CC#N)Nc1cc(C(C)C)nc(C(C)C)n1 302128664 AIXUJSDAPAMYGZ-LBPRGKRZSA-N 260.385 3.828 30 20 CHED CC(C)(Cc1ccccc1)C(=O)[C@H](C#N)c1ccccn1 118142174 DXVUYWVNONCBJO-OAHLLOKOSA-N 278.355 3.527 30 20 CHED C[C@H](OC(=O)c1ccnc(Cl)c1)c1ccc(C#N)cc1 175769463 BRCDXNHIZQJTKH-JTQLQIEISA-N 286.718 3.525 30 20 CHED CC(C)Oc1ccc(Cl)cc1C(=O)OCCCC#N 64115401 NODVGFZFWZGEJY-UHFFFAOYSA-N 281.739 3.588 30 20 CHED Cc1ccc(NC(=O)CSc2cccc(C#N)c2)c(C)c1 177112461 LOXIHNWIGDZGBJ-UHFFFAOYSA-N 296.395 3.906 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)C2(c3ccc(Cl)cc3)CC2)C1 179860075 IOBYZUDZTGYQQY-SMDDNHRTSA-N 289.762 3.607 30 20 CHED CCc1ccc([C@H](C)C(=O)NCc2cccc(C#N)c2)cc1 67970148 KKRWCSOAMJOXQV-AWEZNQCLSA-N 292.382 3.541 30 20 CHED C[C@H](NCc1ccccc1C#N)[C@@H](C)c1ccccc1 179094880 ITCWNRHAZWGZHN-CABCVRRESA-N 264.372 3.840 30 20 CHED CC(C)C1CCN(c2ccc3cc(C#N)ccc3n2)CC1 301978527 OGPRMUCHHQUAEO-UHFFFAOYSA-N 279.387 3.979 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1c1cccc(OC)c1 175178200 NWWIBLIMRVJRPU-MRXNPFEDSA-N 273.376 3.715 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1cccc(F)c1 69178252 RWJYCCRLNCCTFQ-CYBMUJFWSA-N 296.345 3.823 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H](C)c1cccc(Cl)c1 126820383 APJSGVZNUJIULD-WDEREUQCSA-N 283.824 3.825 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(C(F)(F)F)c1 61889438 LIQIEOJGCTUAMR-CABZTGNLSA-N 297.280 3.519 30 20 CHED CC(C)[C@@H](CNc1ccc(C#N)cn1)c1ccccc1 301063416 CVUICAWGXYZOLE-MRXNPFEDSA-N 265.360 3.805 30 20 CHED C[C@H]1CCCN(CCCCNc2cccc(F)c2C#N)C1 301108379 QSHFCVNKLBPBRK-AWEZNQCLSA-N 289.398 3.621 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)c1cccc(CC#N)c1 188107947 JAGWYDWRDSMXSQ-UHFFFAOYSA-N 298.773 3.645 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC[C@@H]1CC=CCC1 181127700 RYDWFKACGAKWGE-UONOGXRCSA-N 256.349 3.746 30 20 CHED CCc1cccc(CC)c1N/C(N)=N/Cc1ccsc1 303877635 FLYICYGDMGNBQX-UHFFFAOYSA-N 287.432 3.800 30 20 CHED C[C@H](Cc1cccc(F)c1)Nc1ccc(OCC#N)cc1 128718409 LEGOEWLWGPXMTP-CYBMUJFWSA-N 284.334 3.771 30 20 CHED CC[C@H](CC#N)N[C@H]1C[C@H](C)Sc2sccc21 216997031 DXVVCHQCGHULOY-UMNHJUIQSA-N 266.435 3.955 30 20 CHED CC(C)c1nnc(S[C@H](C)c2cccc(C#N)c2)n1C 189842353 RRVGEMCDPWEBHY-LLVKDONJSA-N 286.404 3.663 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(C#N)c1 120092994 ZHOATAPWYQVLPH-HNNXBMFYSA-N 289.354 3.740 30 20 CHED CCCCc1ccc(NC(=O)NCC2(C#N)CCC2)cc1 416720923 FTVYMYYIYATXIM-UHFFFAOYSA-N 285.391 3.845 30 20 CHED CCN(Cc1cc2ccccc2nc1Cl)C[C@H](C)C#N 42323846 CQKZTNQQKJOYQJ-GFCCVEGCSA-N 287.794 3.870 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2cccc(Cl)c2C#N)C1 413389943 VZJRRJSISAMDOT-PHIMTYICSA-N 264.756 3.580 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)s1 211708087 GMNRIGASWGICPN-SREVYHEPSA-N 273.313 3.861 30 20 CHED Cc1ccc(OC(F)F)c(CN[C@@H]2CCC[C@@H](C#N)C2)c1 185856692 RTQDXNQDMVXILV-TZMCWYRMSA-N 294.345 3.768 30 20 CHED C[C@@H]1C[C@H](NC(=O)CCCC#N)C[C@H](c2ccccc2)C1 412689016 IGXPEVQVBYMFIO-UAGQMJEPSA-N 284.403 3.769 30 20 CHED CC(C)(C#N)CCCN1CCN(C2CC2)c2ccccc21 188043014 RTUSSVPPIPUFJQ-UHFFFAOYSA-N 283.419 3.805 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)C1 507013183 CDXPPKXTFSCALQ-VIFPVBQESA-N 289.741 3.745 30 20 CHED CCC[C@@H](C)C(=O)N(CCC#N)c1ccc(OCC)cc1 78380343 LPPJTPSEGHPYAW-CQSZACIVSA-N 288.391 3.768 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc2[nH]c(C)cc2c1 187080340 AGDYURKRVBDUBU-KRWDZBQOSA-N 286.375 3.644 30 20 CHED C=CCC[C@@H](C)NCc1cccc(Br)c1 126806057 BGAYKMBYRCFHMU-LLVKDONJSA-N 268.198 3.893 30 20 CHED C=C(C)CN(C)C(=O)c1cccc(-c2csc(C)n2)c1 180449051 ADGIEXFVZUOGPZ-UHFFFAOYSA-N 286.400 3.767 30 20 CHED Cc1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H](C)C1 180817052 GGWXKFBYFFQPPD-XJKSGUPXSA-N 294.402 3.952 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](N)C[C@@H]1C 236632653 OBKHEUHVLACUTH-JKSUJKDBSA-N 282.472 3.855 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C(C)(C)C 501862663 MUSGJAZOHVIRMH-MRXNPFEDSA-N 295.386 3.712 30 20 CHED N#CCc1cccc(NC(=O)c2nccc3ccccc23)c1 313466815 SNPPRAISVNYMMA-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1oc2ccc(F)cc2c1C 410824698 DGMCSILLTIWDRX-LBPRGKRZSA-N 288.322 3.645 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc(N(C)C)c2)s1 79263009 VXQCRYNRYXASRC-UHFFFAOYSA-N 299.399 3.500 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1SCCc2sccc21 182581696 LSENCPSIPBBURT-RISCZKNCSA-N 295.473 3.940 30 20 CHED CCCc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)C(C)C)cc1 73087220 KNPFPFMNQTWURA-GFCCVEGCSA-N 297.420 3.576 30 20 CHED N#C[C@@H](C(=O)C1=CCCCC1)c1nc2cccc(Cl)c2[nH]1 1344367242 CGWQPAVXAGWQTP-NSHDSACASA-N 299.761 3.893 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(Br)s1 129155724 GEOWVRMULBWILJ-QMMMGPOBSA-N 287.226 3.711 30 20 CHED C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 70158619 LREKCQYZNQQRNQ-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 44464614 QADWJQIEIWUOGP-VXGBXAGGSA-N 277.330 3.780 30 20 CHED CCCCCNC(=O)Nc1ccc(C#N)c(Cl)c1 48474456 SXIAEJXEBYKPAV-UHFFFAOYSA-N 265.744 3.523 30 20 CHED Cc1ccc([C@H]2CCCN2c2ncc(C#N)cc2F)cc1 413038094 DBNWCLDYYXNTCP-MRXNPFEDSA-N 281.334 3.742 30 20 CHED N#Cc1ccccc1COc1ccc2c(c1)CCCC2=O 44745863 YXELEKPWGLBSOB-UHFFFAOYSA-N 277.323 3.656 30 20 CHED Cc1nsc(NC[C@H](C)c2ccccc2)c1C#N 131727589 KZZIYIYRIOYCNO-JTQLQIEISA-N 257.362 3.539 30 20 CHED Cc1nc(C(=O)Oc2ccccc2C(C)C)ccc1C#N 193138543 GMMGHZMCFJEIIB-UHFFFAOYSA-N 280.327 3.604 30 20 CHED C=CCCCCCn1ccnc1[C@@H](O)c1ccccc1 195394470 LTMWZZVSSFEYPL-INIZCTEOSA-N 270.376 3.711 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2(c3ccccc3)CCC2)n1 48787544 QYFPGVOTRHGTDR-AWEZNQCLSA-N 296.395 3.750 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C#N)s2)c(OC)c1 134497817 HMBJWFFJZYUOCG-QPJJXVBHSA-N 299.351 3.533 30 20 CHED C#CCCCC(=O)N1C[C@H](C)CSc2ccccc21 190496536 SWSIHUNFAIFJLE-ZDUSSCGKSA-N 273.401 3.565 30 20 CHED C=CCSCC(=O)Nc1c(C)cccc1Cl 85296297 DWNUQJZZICFADG-UHFFFAOYSA-N 255.770 3.506 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@H](SCC)C1 426053533 XOCMHKFACBMEMC-KFWWJZLASA-N 296.480 3.801 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCSc2cc(C)c(C)cc21 427523914 WMDBGAJQKPVUCH-HOCLYGCPSA-N 291.460 3.615 30 20 CHED CC1CC(/N=C(/O)CCc2cc3ccccc3nc2O)C1 329206254 XKBZTESOLWYVQS-UHFFFAOYSA-N 284.359 3.628 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C(/O)C[C@H]2CCCC(O)=N2)C1 329576596 SIDKRCFAHISIKC-YNEHKIRRSA-N 298.452 3.906 30 20 CHED C=CCCCCCSc1nnc(-c2cccnc2)n1C 195418725 YPGQMIKMCXJGBL-UHFFFAOYSA-N 288.420 3.716 30 20 CHED CC(C)N(CCC#N)Cc1ccc(F)c(Br)c1 42529991 DVOCKKPLVZRTRA-UHFFFAOYSA-N 299.187 3.712 30 20 CHED C=CCCCSCC(=O)c1cc(C)n(C)c1C 609804903 SJWJVLPJMBZRTL-UHFFFAOYSA-N 251.395 3.524 30 20 CHED C=C(C)CN(C)C(=O)Nc1nc2c(s1)CCCCCC2 194514326 VQVCKQOTHCADGP-UHFFFAOYSA-N 293.436 3.842 30 20 CHED C#CCOCCC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 89359883 YGAWBRJGZOXVIH-SFHVURJKSA-N 299.414 3.513 30 20 CHED Cc1c(C(=O)N(C)CC(C)C)sc2ccc(C#N)cc12 429806302 KZLBTLUOLYEBHC-UHFFFAOYSA-N 286.400 3.809 30 20 CHED Cc1ccccc1C1(C(=O)N2CCC(C#N)CC2)CCCC1 335163634 INPFTOXYUVVOES-UHFFFAOYSA-N 296.414 3.569 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CCC[C@H]1C 425522782 BMIFQPXGAABUQS-JKIFEVAISA-N 299.418 3.697 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1F 192147313 OAWJIQPSUHOYHH-JTQLQIEISA-N 290.288 3.826 30 20 CHED C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc(C#N)cc1 91660744 NTCPQBVKWHDRJH-CXAGYDPISA-N 277.371 3.681 30 20 CHED C[C@@H]1CCN(C(=O)Nc2cccc(CC#N)c2)CC1(C)C 334983197 YYBLIZBAGHMZJG-CYBMUJFWSA-N 285.391 3.653 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(Cl)c3cccnc23)C1 335286620 XZFJLOIOTYKUHG-WCQYABFASA-N 285.778 3.670 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)CCc1ccccc1 424530554 UGLQVFFASONKBS-CQSZACIVSA-N 259.393 3.726 30 20 CHED Cc1cncc(CNc2ccc(C#N)c(C(F)(F)F)c2)c1 230306611 BDKMQEQVCNVJRC-UHFFFAOYSA-N 291.276 3.893 30 20 CHED Cc1nc(C)c(N=C(O)c2oc(CC3CC3)nc2C)s1 330027920 NUPKJEJLBSOFJQ-UHFFFAOYSA-N 291.376 3.645 30 20 CHED Cc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)c(C)c(C)c1O 335589912 MQVIZWMTGPDOJF-GOSISDBHSA-N 298.386 3.730 30 20 CHED N#Cc1csc(CNCCCc2cccc(Cl)c2)c1 237775531 FWKFBHRYVRZGJG-UHFFFAOYSA-N 290.819 3.996 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)o2)cc(OC)c1 96404381 YFXMEPWNIPFVHS-WAYWQWQTSA-N 272.300 3.501 30 20 CHED CCN(Cc1cc2cc(F)ccc2o1)C[C@H](C)C#N 91982444 BPQOPVFZTPQIDR-LLVKDONJSA-N 260.312 3.553 30 20 CHED COCC1(CNc2cc(C#N)ccc2C(F)(F)F)CCC1 336935269 DANVECWDONNETR-UHFFFAOYSA-N 298.308 3.806 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 331543866 NGNZPBRLBFIHDO-USXIJHARSA-N 297.402 3.534 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1cc(F)cc(F)c1 433928167 XKTKXBCIWGDCFA-LBPRGKRZSA-N 296.361 3.851 30 20 CHED C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 97036289 BRNASAJVNQGTLY-LLVKDONJSA-N 283.306 3.580 30 20 CHED C[C@H](CCc1c(F)cccc1F)NCCCCC#N 337997279 QJQKQFANCWNSGX-GFCCVEGCSA-N 266.335 3.569 30 20 CHED CC1(C)CCCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 332320813 OSKSVFWFIFGGMJ-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=CC[C@H](CO)CN[C@H](CC)c1ccccc1OC(F)F 341879445 UVWIGYMFVNHNFV-GXTWGEPZSA-N 299.361 3.513 30 20 CHED C=CCCC1(C(=O)Nc2cc(OC)c(C)c(OC)c2)CC1 349374244 QKYQCWQDFCMLIP-UHFFFAOYSA-N 289.375 3.697 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1CC(C)(C)c2ccccc21 431697398 ORTSTRJTEROBTN-DOMZBBRYSA-N 272.392 3.673 30 20 CHED Cc1ccc2c(CC(=O)N[C@H](C#N)CC(C)C)coc2c1C 608823205 QCIMDJXUEUYMHE-HNNXBMFYSA-N 298.386 3.647 30 20 CHED CCc1cccnc1[C@@H](C)NC1(c2cccc(C#N)c2)CC1 520623621 XVPWRDQKGAYUSV-CQSZACIVSA-N 291.398 3.856 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 249314266 NBBMYQDBDICTGI-JKIFEVAISA-N 299.418 3.524 30 20 CHED CC(C)[C@@H](C(=O)N1CCC(CCC#N)CC1)c1ccccc1 521049377 UUAISGSUQVGRAL-GOSISDBHSA-N 298.430 3.969 30 20 CHED C=CCCOCCCCC(=O)Nc1ccccc1C(C)=O 342612410 COYFLYKZHUVUNF-UHFFFAOYSA-N 289.375 3.591 30 20 CHED CC/C=C/CCN1CCC(Oc2cccc(C#N)c2)CC1 342219383 RMJFRBGGBQWONJ-ONEGZZNKSA-N 284.403 3.758 30 20 CHED C[C@H](CC#N)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 604573843 ZLFGQPGAVSAYBL-GFCCVEGCSA-N 298.317 3.650 30 20 CHED N#Cc1cnc(N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)c(Cl)c1 434946684 LAHWKCYHXKAOOI-NUEKZKHPSA-N 295.773 3.747 30 20 CHED COc1cccc([C@@H]2CN([C@@H](C)CCC#N)CC2(C)C)c1 528624229 LPDWRHVYIVBVPT-YOEHRIQHSA-N 286.419 3.813 30 20 CHED N#C[C@H](COC(=O)/C=C\c1cccs1)Cc1ccccc1 255165064 CNKKSGUUUZEVGG-WHLNPGIBSA-N 297.379 3.687 30 20 CHED COc1ccc(-c2nc(C3CC3)cs2)c(C#N)c1 600789643 HDAGQMVOLWGYHF-UHFFFAOYSA-N 256.330 3.568 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)/C=C\c2ccccc2C#N)C1 255603754 YYQUWFFTIZJPEA-CRYPRFJLSA-N 282.387 3.609 30 20 CHED C[C@@H]1[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)[C@H]1C1CC1 528916773 WUGLQBOEVMSDOD-AOYRSGHYSA-N 290.366 3.703 30 20 CHED Cc1nc(C)c(C#N)c(SCCCC(C)(C)C)n1 347746374 VZCYTTXJTCWFLS-UHFFFAOYSA-N 263.410 3.884 30 20 CHED CC(C)(C)c1nnc(S[C@H](C#N)Cc2ccccc2)o1 603915707 PDIXWKBDAADUEE-LBPRGKRZSA-N 287.388 3.594 30 20 CHED C=CCCCC[C@H](C)Nc1cnn(Cc2ccncc2)c1 449225388 OGRSFEYFFVEXCW-HNNXBMFYSA-N 284.407 3.873 30 20 CHED S=c1[nH]nc(-c2ccco2)n1N=C/C=C/c1ccccc1 254407722 QNJXJRCFXHNHSH-UGMSAXTLSA-N 296.355 3.748 30 20 CHED C=CCCCOc1ccc(C(=O)OC)cc1Br 522707209 ZSMHQZMGBLTPNX-UHFFFAOYSA-N 299.164 3.581 30 20 CHED N#CCCCOc1cccc(/C=C\c2ccc(C#N)cn2)c1 255025836 FSMZWKXIXRCGGD-VURMDHGXSA-N 289.338 3.806 30 20 CHED N#Cc1c(N[C@H](CF)c2ccc(F)cc2)ncc2c1CCC2 601265092 LWFVNMWHLSMZRP-MRXNPFEDSA-N 299.324 3.704 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 449911742 CINDMWZOCDCIJG-WZRBSPASSA-N 290.329 3.554 30 20 CHED C=CCC1(CNCc2cc(C#N)cs2)CCCC1 449607741 YYSGNICHATWFIA-UHFFFAOYSA-N 260.406 3.846 30 20 CHED CC[C@@H](NC[C@H]1CCCCS1)c1ccc(C#N)cc1 447603124 WSOTYWFOFCARQO-HZPDHXFCSA-N 274.433 3.885 30 20 CHED C=CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)C1CC1 350724054 YHUBEBQIPNTNDN-INIZCTEOSA-N 296.418 3.605 30 20 CHED COc1cccc(Cl)c1CN[C@H]1CC[C@@H](CC#N)C1 449444823 DQFRQHIMBBIKMS-RYUDHWBXSA-N 278.783 3.521 30 20 CHED C=C[C@@H](CC(=O)Nc1cnc(C(C)C)nc1)c1ccccc1 358445526 OGGYJLXVLLMUNK-AWEZNQCLSA-N 295.386 3.898 30 20 CHED C/C=C/c1ccc(NC(=O)NCCCCC#N)cc1 353282017 BIGSZROMPLAQGI-QHHAFSJGSA-N 257.337 3.535 30 20 CHED C=CCN(C(=O)[C@@H](CCC)c1ccccc1)C1CC1 538273773 HYWJXZPSBCJXRW-INIZCTEOSA-N 257.377 3.747 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)CCC#N 351066204 SFHGACABAQKYQE-KBPBESRZSA-N 279.428 3.584 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 354620422 WOHZOECWMSIPKW-HNNXBMFYSA-N 296.317 3.630 30 20 CHED C[C@H]1CCC[C@](CNC2CCC(C)(C#N)CC2)(N(C)C)C1 449086694 SIGKKDUGEORHHS-BFWZDYSYSA-N 291.483 3.559 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1ccccc1C#N 353394713 NOSWZGSZHQAOIM-AWEZNQCLSA-N 262.356 3.678 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1Cc1cc(C#N)n(C)c1 449391662 YWIJOKSPWOIFLY-VCBZYWHSSA-N 293.414 3.663 30 20 CHED N#CCC[C@@H](NC(=O)CCCC(F)(F)F)c1ccccc1 355921765 GJHBGQOGLLJONX-CYBMUJFWSA-N 298.308 3.880 30 20 CHED C=CCOCCCSCc1cc2ccccc2nc1O 359126812 NXHYYUVLSKUZIS-UHFFFAOYSA-N 289.400 3.766 30 20 CHED C=CCC(C)(C)CNC(=O)c1sc(CCC)nc1C 352504890 VXDWQOTYFYDITO-UHFFFAOYSA-N 280.437 3.736 30 20 CHED C=CCCOCCNC(=O)Nc1ccc(C(C)(C)C)cc1 536077806 DJOMDXJQIMJQJT-UHFFFAOYSA-N 290.407 3.698 30 20 CHED C=C(C)[C@@H](CC(=O)NC[C@H](C)c1cccc(C)c1)OCC 533707920 MEISSVLLIQRLIQ-DOTOQJQBSA-N 289.419 3.586 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(OC)cc1C 539389229 ZEKUMFSLNWZUQU-AWEZNQCLSA-N 290.407 3.548 30 20 CHED C=CCC1(NC(=O)[C@H]2CCCCCC(=O)C2)CCCCC1 456361713 GJKZBDZZVPJQFT-HNNXBMFYSA-N 291.435 3.921 30 20 CHED CC[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(Cl)c1 619754828 LRTVWALDPLOMFC-GHMZBOCLSA-N 250.773 3.736 30 20 CHED CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(C)cc(C#N)c1 455998774 JTMAAWOARBQJSQ-DOMZBBRYSA-N 271.364 3.519 30 20 CHED C=CCOCCCC(=O)N(Cc1ccccc1)CC(C)C 361674530 QZSGSGBBBWLLPM-UHFFFAOYSA-N 289.419 3.654 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)c(F)c1 618743096 WMCVQKFHDFIUDC-KRWDZBQOSA-N 284.309 3.614 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 452722468 JZIYEZVHXBHFNA-ZIAGYGMSSA-N 263.768 3.526 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(Cc3cccc(F)c3)CC2)C1 278580633 KDLPHDJWJGQKPV-AEFFLSMTSA-N 286.394 3.772 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](CCOC)c1ccco1 272566152 OJPOGFZCOQUHDS-MELADBBJSA-N 251.370 3.548 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCO[C@@H](CC)C2)CCCCC1 456364481 JTSJFWXBDRSFHG-HOTGVXAUSA-N 293.451 3.977 30 20 CHED C=CCN(C(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1ccccc1 459934189 SLIJMZLQTJDMFJ-OFQRWUPVSA-N 255.361 3.642 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@]1(C)CC=CCC1 458621534 ORIMCNQMGSERIR-HIFRSBDPSA-N 250.386 3.529 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccc(F)cc1C#N 549194958 PQIUXLVJOFOGRP-GHMZBOCLSA-N 289.354 3.644 30 20 CHED C=CCC1(NC(=O)[C@H](C)NC(C)(C)CC)CCCCC1 456361106 FFMCXUFUTSOGBU-AWEZNQCLSA-N 280.456 3.548 30 20 CHED Cc1sc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c(C#N)c1C 361819451 NVHCQGQZDRKPTG-WFASDCNBSA-N 276.405 3.857 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1nnc(C(C)(C)C)s1 271563661 YAQXHDIBBDNFRC-MNOVXSKESA-N 267.442 3.526 30 20 CHED C=CCN(C(=O)c1ccc(-c2ccccc2)nc1C)C1CC1 271441349 UALCCMVYOYVPGX-UHFFFAOYSA-N 292.382 3.848 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 548618068 NIQGTULJJYSEIM-WDEREUQCSA-N 278.783 3.766 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@](F)(c2ccccc2F)C1 549025237 GQCQWYDGBQOSDM-IAGOWNOFSA-N 293.357 3.825 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)oc1C)C1CCCC1 458328611 BKAVCICIKYIXGD-HNNXBMFYSA-N 274.364 3.548 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(C)c(OC)cc1Cl 455423479 AHEOUMMIUGJTKR-UHFFFAOYSA-N 296.798 3.991 30 20 CHED C=CC(C)(C)c1nc(CSCc2ccccc2)no1 453145127 RLGPLOZPHDHDLC-UHFFFAOYSA-N 274.389 3.967 30 20 CHED COc1ccccc1[C@H](C)Sc1ncccc1C#N 362265287 GCRPQJFTHZPMKN-NSHDSACASA-N 270.357 3.815 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(F)c(C)c2)no1)OCC 270003465 CATKMKUIEGMDEB-CQSZACIVSA-N 290.338 3.708 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CCCC1 450168122 JDKKPNLODYVYRR-AWEZNQCLSA-N 287.403 3.576 30 20 CHED C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 278906553 ZTTSEUFKLOPZBY-DVOMOZLQSA-N 260.356 3.601 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(Cl)cc1OCC 276154104 QJOVDNZBRWGPCG-UHFFFAOYSA-N 282.771 3.779 30 20 CHED C=C[C@@](C)(CC)c1nc(COc2ccccc2F)no1 276186880 LESRKLJMFFWCOE-HNNXBMFYSA-N 276.311 3.641 30 20 CHED C=CCN(C(=O)c1cccnc1OCC(C)C)C(C)(C)C 622944285 LUUUESRFQSTULG-UHFFFAOYSA-N 290.407 3.543 30 20 CHED N#CCc1ccc(CN2CCC[C@@H](c3ccncc3)C2)cc1 451006360 RQNNCHJTMDLQCJ-LJQANCHMSA-N 291.398 3.527 30 20 CHED C=C(CC)CNC(=O)[C@H](C)c1cc2ccccc2o1 456814109 SUVZXPIHZSCVNI-GFCCVEGCSA-N 257.333 3.619 30 20 CHED CC(C)(C#N)c1nc(Cc2cccc3ccccc23)no1 546314752 KKJJRRFSQFIKQD-UHFFFAOYSA-N 277.327 3.615 30 20 CHED N#Cc1cccc(CCN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 466412644 UTWMCMOHKSOWCF-HVMFNXBNSA-N 280.415 3.515 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 466780898 XUICYPJRZAIPCF-IRXDYDNUSA-N 286.419 3.615 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1N1CCCCCC1 465172049 AEXDKJFLHNTBOO-CQSZACIVSA-N 287.407 3.763 30 20 CHED CCN(CC)Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 274209159 MZQQKVCKEOXWPG-RBUKOAKNSA-N 299.462 3.700 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)nn1CCCCC 467971357 VYTIGOGAQZEWRZ-INIZCTEOSA-N 277.412 3.923 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@@H](C)CC(C)C 545297504 QTGVYSVZWRBPNK-LBPRGKRZSA-N 274.364 3.578 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Br)ccc1C 460016761 VWWZMXYWGQAPBC-UHFFFAOYSA-N 282.181 3.908 30 20 CHED C=C(Cl)CN1CCC(c2noc3cc(F)ccc23)CC1 289872898 QWWRFPDUFNRKRG-UHFFFAOYSA-N 294.757 3.899 30 20 CHED C=CCC1(NC(=O)C[C@@H](C)c2ccco2)CCCC1 628112115 GYSZAUNRNCCSDT-CYBMUJFWSA-N 261.365 3.778 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1Oc1cccnc1 622981109 HQAAUAPQPYRVKE-UHFFFAOYSA-N 296.370 3.912 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H]2CC[C@@H](F)C2)c1 554431665 OPOPILPAEFNIRC-OCCSQVGLSA-N 292.354 3.654 30 20 CHED C=CCCC[C@H](C)Nc1cnn(C(C)(C)C)c(=O)c1Cl 553157244 XWZSCRUKQQUEDG-NSHDSACASA-N 297.830 3.808 30 20 CHED C=CCOc1cccc(NC(=O)[C@H]2C[C@@]2(C)CC)c1 466301174 ZJHLAKPFUUILFT-GDBMZVCRSA-N 259.349 3.626 30 20 CHED C=CCC1(C(=O)NCCc2ccc3[nH]ccc3c2)CCC1 282077306 YWQHSABWFXHLPG-UHFFFAOYSA-N 282.387 3.573 30 20 CHED C=CCC(C)(C)c1noc(CCO[C@H](C)CC(C)C)n1 551139742 LBEMHLMJDVKAGC-CYBMUJFWSA-N 280.412 3.917 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 378401593 XTRCGRROPPZQJT-AEFFLSMTSA-N 283.415 3.660 30 20 CHED C=CCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 285967634 AWWARVACJHQKLK-ZACQAIPSSA-N 269.388 3.747 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OCC)c(F)c1 466403305 DIPJUDNETPXFQV-NSHDSACASA-N 280.343 3.701 30 20 CHED C=CCC[C@H](CC)NC[C@@H](CO)CC1CCCC1 467451172 ZGMSQJPVQKQWGX-HOTGVXAUSA-N 253.430 3.510 30 20 CHED CC1(C)CC[C@@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 286853994 BRSUJMOMRQREOV-CABCVRRESA-N 285.391 3.519 30 20 CHED C[C@@H]1CCN(C(=O)C2(C#N)CCCC2)CC12CCCCC2 463041653 ZWZVBMAMCNRAAO-OAHLLOKOSA-N 288.435 3.889 30 20 CHED C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)CC(C)(C)C#N)C1 288582809 XNCSFWXHIBUACJ-ZBFHGGJFSA-N 284.403 3.926 30 20 CHED CC[C@H](C)CCC(=O)Nc1ccccc1O[C@@H](C)C#N 285786614 KNYXRTPHSNCGBG-STQMWFEESA-N 274.364 3.742 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3ccn(C)c3c2)C1 633619839 XPTUWXJFBHJFOT-AWEZNQCLSA-N 282.387 3.607 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1cc(C)ccc1F 470177316 BSFRSTNPIXQIRM-MRXNPFEDSA-N 263.356 3.695 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)CCC2 292625608 CFBVQDUSJMNSLU-UHFFFAOYSA-N 271.360 3.746 30 20 CHED C#Cc1ccc(CN2CC[C@@H](COc3ccccc3)C2)cc1 809637245 PZYDHWRPUHJQOI-LJQANCHMSA-N 291.394 3.569 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(OC(F)F)cc1 292267140 QSFBWDLWHMLCCX-UHFFFAOYSA-N 283.318 3.507 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H]1CCCC(F)(F)C1 800721459 NPSPDPFQAJSTMF-IPHDDYSGSA-N 283.318 3.645 30 20 CHED C=CCCCCCCNC(=O)c1ccc(SC)o1 805218513 BUVUVECNLDTRKK-UHFFFAOYSA-N 267.394 3.868 30 20 CHED Cc1cccc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)c1 806560230 JTVAPSQSXGPTFJ-SHRNQRGKSA-N 292.334 3.833 30 20 CHED C#CCCc1noc(C(C)(C)Oc2ccc(Cl)cc2)n1 809397344 OLDROCOONRTTBC-UHFFFAOYSA-N 290.750 3.603 30 20 CHED O=C(/C=C/c1cnccn1)c1cccc2ccccc12 809151516 AGLCPFYFNSDLOX-CMDGGOBGSA-N 260.296 3.526 30 20 CHED CC1(C)CCC[C@@H]1CNc1ncc(C#N)cc1Cl 1163372973 KZIMYFOYVWDGMH-LLVKDONJSA-N 263.772 3.845 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCc3cc(C)ccc32)CC1 475106792 GLDIQQVGRKGPRV-INIZCTEOSA-N 269.388 3.845 30 20 CHED N#C[C@]1(C(=O)Oc2cccc(Cl)c2F)CC12CCCC2 297595749 CNXWAMHMRVTKFB-HNNXBMFYSA-N 293.725 3.859 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2Cl)[C@@H]1SC 807943887 NGAJKPIRXZMUJH-OLZOCXBDSA-N 284.812 3.648 30 20 CHED COc1ccc2cc(COC(=O)CCCC#N)ccc2c1 291905045 RJZKWLOAKQWUEH-UHFFFAOYSA-N 283.327 3.585 30 20 CHED C=CCn1c(SCC2=CCCC2)nnc1-c1ccncc1 647114798 YBIZWPHCOTVMFM-UHFFFAOYSA-N 298.415 3.729 30 20 CHED C=C[C@@H](CC(=O)NC1(C(C)C)CC1)c1ccccc1 293934771 NGIGAIOQKRWMEA-AWEZNQCLSA-N 257.377 3.651 30 20 CHED C=CCN(CCC#N)C(=O)c1ccccc1SC(C)C 293794766 OWPDUFHJXDRQKC-UHFFFAOYSA-N 288.416 3.729 30 20 CHED C#CCCCCC(=O)N1C[C@H]2CCCCN2c2ccccc21 294110555 JSPJRBALCWZZMY-MRXNPFEDSA-N 296.414 3.586 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cnc2cc(C)nn2c1C 293653185 HYOFOUVIHGPQPF-CYBMUJFWSA-N 286.423 3.599 30 20 CHED C[C@H]1CC/C(=C/C(=O)Nc2cc(C#N)c3ccccc3n2)C1 809077234 NGFIBPBQXZPQTD-VWLVURMCSA-N 291.354 3.791 30 20 CHED C[C@H](NCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 299633373 KDIBDFJCGUINOR-AWEZNQCLSA-N 298.361 3.969 30 20 CHED C[C@H]1CCCC[C@@H]1OCCSc1cccnc1C#N 563412418 FACIMIHVACVEQC-JSGCOSHPSA-N 276.405 3.641 30 20 CHED C=CCOc1ccc(OCCOc2ccccc2C#N)cc1 565559041 HZYHXGDVJDHXJN-UHFFFAOYSA-N 295.338 3.581 30 20 CHED Cc1ccc(OCCCSCCO[C@H](C)C#N)cc1C 802750134 XRYINWSXMPVDLP-OAHLLOKOSA-N 293.432 3.734 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@](C)(C#N)C1CCCCC1 561520860 VVWDTEKHPVKLHQ-HEHGZKQESA-N 264.413 3.647 30 20 CHED N#Cc1nc(N2CC(C3CCCCC3)C2)ccc1Cl 567513375 PSJCKBSTZCNDHF-UHFFFAOYSA-N 275.783 3.623 30 20 CHED C=CC1CCN(Cc2ccc(OC)c(Cl)c2)CC1 489250347 BWYPVEXCWFTHFU-UHFFFAOYSA-N 265.784 3.747 30 20 CHED COC(=O)c1cccc(NN=C2CCCC23CCCC3)c1 814900811 JCDICWVUADFYCS-UHFFFAOYSA-N 286.375 3.985 30 20 CHED CC(C)(C)c1ccc(-c2noc(-c3ccc(C#N)[nH]3)n2)cc1 485878655 CYCLKMZZFVKJKR-UHFFFAOYSA-N 292.342 3.901 30 20 CHED C=C(C)CN(CC)Cc1cc(O)cc(C(F)(F)F)c1 569634718 ZOABFODWIOZIRX-UHFFFAOYSA-N 273.298 3.809 30 20 CHED c1ccc(-c2nnc(NN=C3CC4(CCC4)C3)s2)cc1 814948108 YUDBSGUYKONRFI-UHFFFAOYSA-N 284.388 3.937 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1CC2(CCC2)C1 563169207 HPBWOYBLXUNLKB-UHFFFAOYSA-N 283.415 3.824 30 20 CHED C=CCn1cccc1C(=O)Nc1cc([C@H](C)CCC)[nH]n1 488770084 ZSVQKYZHTJUYLT-GFCCVEGCSA-N 286.379 3.553 30 20 CHED C=C(C)CNC(=O)N1CCC(CCc2ccccc2)CC1 488580988 SZWMBXUTNKIJFB-UHFFFAOYSA-N 286.419 3.617 30 20 CHED CC(C)c1nccnc1NN=Cc1cccc2cc[nH]c12 814915719 FVCJNFMVDCIKAU-UHFFFAOYSA-N 279.347 3.527 30 20 CHED C=CCC1(c2nc(Cc3ccc(F)c(F)c3)no2)CCC1 576861703 KUJXIUNAHSUOKZ-UHFFFAOYSA-N 290.313 3.936 30 20 CHED C=CCCn1cc(CNc2ccccc2C(C)C)nn1 656115707 WBOXCEFSFLNBFH-UHFFFAOYSA-N 270.380 3.590 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccc(C)nc1C 814932157 RWRWJWZOPJCNEH-UHFFFAOYSA-N 295.390 3.592 30 20 CHED C=CCC(C)(C)c1nc(-c2cccnc2N2CCCC2)no1 576686151 GAEMFALRYKTKDL-UHFFFAOYSA-N 298.390 3.586 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cc(F)cc(F)c2)no1 573136687 KPRXOMDPZKSVJL-CQSZACIVSA-N 264.275 3.869 30 20 CHED CCOc1ccc(NN=C2[C@H]3CCCO[C@@H]3C2(C)C)cc1 814984688 FQCDVMJMQZLCLP-ZBFHGGJFSA-N 288.391 3.688 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 573893405 FWRMVUMCCAXGKU-CHWSQXEVSA-N 290.363 3.559 30 20 CHED CC(=NN=Cc1ccc(C2CCCC2)cc1)c1cnccn1 812226666 RNKBPLUPMFRRCP-UHFFFAOYSA-N 292.386 3.977 30 20 CHED CCc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)on1 571108779 PHIGIEVFHQPHAS-GOSISDBHSA-N 295.386 3.666 30 20 CHED N#C[C@H](OC(=O)c1ccc(C2=CCCC2)cc1)C1CC1 810601528 AABGHNLZULJJHJ-INIZCTEOSA-N 267.328 3.713 30 20 CHED CC1(C)CCCN(Cc2cc(F)cc(Cl)c2)[C@H]1C#N 579579907 WXUKRDRITVLMRY-AWEZNQCLSA-N 280.774 3.993 30 20 CHED C#C[C@H](NC(=O)N[C@@H](CC)CC=C)c1ccc(Cl)cc1 811914442 JYVPGIPRKMNUPR-GJZGRUSLSA-N 290.794 3.668 30 20 CHED CC(C)(CCC#N)CNCC[C@@]1(C)CC1(Cl)Cl 824969142 FGGCNEJDQACAHG-LBPRGKRZSA-N 277.239 3.880 30 20 CHED N#Cc1c(F)cccc1SCc1ccccc1[N+](=O)[O-] 577931189 SCGRDLMYMXCAHL-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C=CCCCC[C@@H](C)NCC[C@H](O)c1ccccc1 824390005 YPVPRQIUMQKDOJ-WBVHZDCISA-N 261.409 3.835 30 20 CHED C=CC[C@@H]1N(Cc2ncc(CC)o2)CCCC1(C)C 573907485 LSNUAUIHDAFWFM-AWEZNQCLSA-N 262.397 3.804 30 20 CHED CC(C)CCc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1 574245389 ZJSSCOIVHSTAIO-DYVFJYSZSA-N 270.376 3.763 30 20 CHED C=CCCCC[C@H](C)NCc1ccc([C@@H](C)O)cc1 823702043 KIIJFZWQPUUWFZ-LSDHHAIUSA-N 261.409 3.964 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@]1(C)CC1(Cl)Cl 822858070 BCJFCVANQKKUAE-CYBMUJFWSA-N 297.185 3.779 30 20 CHED C=CCCC1(c2nc([C@H]3CCOc4ccccc43)no2)CC1 579284027 CNSONVCFFVGCEY-AWEZNQCLSA-N 296.370 3.982 30 20 CHED C=CCCNC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 820771409 MYZIPUNUFRYNGD-UHFFFAOYSA-N 293.798 3.638 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N[C@@H](C)CC#N 499859109 DZGROPMPWMSRKJ-ZFWWWQNUSA-N 264.413 3.791 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc([C@H](C)O)cc1 823702038 KIIJFZWQPUUWFZ-CABCVRRESA-N 261.409 3.964 30 20 CHED C#C[C@@H](NCc1cnc(C)s1)c1ccc(Cl)cc1F 491497187 WEJVXAWIQNDKOX-CQSZACIVSA-N 294.782 3.708 30 20 CHED C=CCCCCCn1cnc2[nH]c3ccccc3c2c1=O 664066392 LOOYBOLRLFZCQT-UHFFFAOYSA-N 281.359 3.624 30 20 CHED C[C@@H]1C[C@H](CC(=O)N(C)CC(C)(C)C#N)CC(C)(C)C1 497439545 KTFUPYBQOQTWFQ-ZIAGYGMSSA-N 278.440 3.847 30 20 CHED CCCC[C@H](C)N(C)C(=O)c1ccc(Cl)c(C#N)c1 583786289 FMETVULVKAXCOA-NSHDSACASA-N 278.783 3.862 30 20 CHED C=C(C)CN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC 582681988 YBKFKKWAJALJTM-ZACQAIPSSA-N 259.393 3.503 30 20 CHED C#CCOc1cccc(NC(=O)[C@@H](CC)c2ccccc2)c1 730978531 SXARMPSCVQDNQW-SFHVURJKSA-N 293.366 3.831 30 20 CHED O=C1/C(=C/c2csnn2)CCCc2ccc(Cl)cc21 735231942 DZQWYRAXNUSJDJ-UXBLZVDNSA-N 290.775 3.794 30 20 CHED C=CC[C@@H](C(=O)N1C[C@@H](C)OC2(CCC2)C1)c1ccccc1 581727371 AZTKRIDJZVJFKF-NVXWUHKLSA-N 299.414 3.516 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)Cc2ccc(C)s2)c1 737440598 MKINHZURFOCHTN-MUOOZZNISA-N 289.400 3.821 30 20 CHED CC[C@H](NC[C@@H](O)c1cccc(C)c1)c1cccc(C#N)c1 902880202 FVAQSTBDCSQCFO-RBUKOAKNSA-N 294.398 3.641 30 20 CHED C=CCCCOC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 735529383 XYPAFIULQNVWEP-NSHDSACASA-N 295.360 3.585 30 20 CHED C#CCOc1ccccc1CNC(=O)C[C@H]1CCC[C@H](C)C1 734104169 HBZVWGHAAZRKEA-HOTGVXAUSA-N 299.414 3.531 30 20 CHED COc1cc(OCCCCC2CCOCC2)ccc1C#N 499989496 LHAXAQMYDVLIOS-UHFFFAOYSA-N 289.375 3.543 30 20 CHED Cc1nc(Cl)ccc1NC(=O)/C=C\c1ccccc1C#N 588611576 CHCAUXBCFKGQNA-TWGQIWQCSA-N 297.745 3.567 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(O)cs2)c1 732284474 SAOFEYDPCVKPTA-UHFFFAOYSA-N 289.356 3.661 30 20 CHED Cc1ccc(F)c(C=NN[C@@H](C)c2ccccc2)c1 734980754 WHULSORNKYZIMC-ZDUSSCGKSA-N 256.324 3.819 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1sccc1C 733743225 KYJAUKFJFFLKRV-UHFFFAOYSA-N 275.333 3.801 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(F)c2)C1 665597036 BULJHQRNZKVDRU-GFCCVEGCSA-N 292.354 3.654 30 20 CHED N#CCCCOC(=O)c1cccc(Nc2ccccc2)c1 735722590 FJWWIFFKJLNHDO-UHFFFAOYSA-N 280.327 3.891 30 20 CHED CC(C)c1nc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cs1 839051033 MGVBHFOPLXXPIQ-MNOVXSKESA-N 278.377 3.506 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCc4ccc(C#N)cc43)CC2)c1 582032323 CRJADWCCKUEEHV-LJQANCHMSA-N 299.377 3.696 30 20 CHED CC(C)c1nccnc1NN=C1CCc2ccccc2CC1 834976764 HKQWPUSVWGJLDG-UHFFFAOYSA-N 294.402 3.947 30 20 CHED C=CC[C@@H](OC(=O)CCCC(=O)C1CC1)c1ccccc1 835323562 ODPDOBIMASBWEO-QGZVFWFLSA-N 286.371 3.996 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cccc(F)c1 739424757 KPXRQIWAMUHOSN-SOFGYWHQSA-N 285.274 3.938 30 20 CHED CC(C)C#CC(=O)N1CCC(c2ccc(Cl)cc2)CC1 832425929 UXJUAOUOKXWPCS-UHFFFAOYSA-N 289.806 3.705 30 20 CHED C=CCON=C(CC)c1ccccc1OC(F)F 835014310 FTPLWHJSRYHVDE-UHFFFAOYSA-N 255.264 3.605 30 20 CHED C=CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)c1ccncc1 734456847 DMPGJHUXLSRPLX-GOEBONIOSA-N 274.408 3.887 30 20 CHED C=CCC1(C(=O)OC[C@H]2CCC[C@@H](O)C2)CCCCC1 838153125 BRKGCDOFNUHFAJ-LSDHHAIUSA-N 280.408 3.607 30 20 CHED CCCCCCCCNC(=O)NC1CCC(OC)CC1 838528023 XWHYYURBORIEQE-UHFFFAOYSA-N 284.444 3.604 30 20 CHED CC(=NNc1cncc(Cl)n1)[C@H]1CCCC[C@H]1C 834937972 CAANQLLQLXMFJA-KOLCDFICSA-N 266.776 3.744 30 20 CHED C=CCC1(C(=O)OCCC[C@@H]2CCCO2)CCCC1 835300629 OZUPUGOCQYYEMH-AWEZNQCLSA-N 266.381 3.625 30 20 CHED CCN(CCC1(C#N)CCCCC1)Cc1ccoc1 591012532 BKTOVFJUYVTGQO-UHFFFAOYSA-N 260.381 3.966 30 20 CHED Cc1cccc([C@H]2CCCCN2c2cc(C#N)cnn2)c1C 596143955 XQYAXVXGVBTHDM-QGZVFWFLSA-N 292.386 3.697 30 20 CHED CCc1nc(Sc2ncc(C#N)cc2F)sc1C 593482876 WCIAVWKFFVUPSD-UHFFFAOYSA-N 279.365 3.571 30 20 CHED CC1(C)C(=NNc2cccc3cnccc23)[C@H]2CCCO[C@H]21 743438765 QMEUJLZRXWFPTO-RHSMWYFYSA-N 295.386 3.838 30 20 CHED Cc1ccc2cccc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)c2n1 839449087 LUASWPYRUUEPOW-HIFRSBDPSA-N 294.354 3.782 30 20 CHED CC(=NNc1ccccn1)c1ccc2cc(O)ccc2c1 748782273 LFWNSZHWKUZJJN-UHFFFAOYSA-N 277.327 3.777 30 20 CHED CC[C@H](C)CCNC1CCN(Cc2ccc(C#N)cc2)CC1 594968535 RMYZSMWXXOYQJK-INIZCTEOSA-N 299.462 3.548 30 20 CHED C=C(C)CNC(=S)N[C@H]1CCCC[C@H]1C(C)(C)C 916015743 IYKPEDKZZRCQPF-OLZOCXBDSA-N 268.470 3.632 30 20 CHED CCC[C@@H](C(=O)NCC1(C#N)CC1)c1cccc(Cl)c1 599877145 VTLUDJYIWFDFRT-CQSZACIVSA-N 290.794 3.644 30 20 CHED C#CCN(CCC(F)(F)F)[C@H]1CCc2ccccc21 740874747 GEOCHAZKZGPXLM-AWEZNQCLSA-N 267.294 3.562 30 20 CHED C=CCC[C@H](CCC)NCC1(CO)CCCCC1 678596198 RZNNVNFIHKUYPT-HNNXBMFYSA-N 253.430 3.654 30 20 CHED C=CCOc1ccc2ccc(C(F)(F)F)nc2c1 677234924 ADJWXCPFZIPTLY-UHFFFAOYSA-N 253.223 3.818 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)n1 598858312 MJBMVWYPCVAMJY-MISXGVKJSA-N 285.391 3.581 30 20 CHED C[C@@H]1CC[C@@H](c2noc([C@H](C)Cc3ccc(C#N)cc3)n2)O1 599177938 WHTNOGCHCSJUIP-JMSVASOKSA-N 297.358 3.527 30 20 CHED CC(C)=CCCC(C)=NNc1ccc(C(=O)O)cc1 749158557 QDEUOSKCMWBABQ-UHFFFAOYSA-N 260.337 3.919 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 590748954 RKWWZUKCJGNCAI-FHLIZLRMSA-N 296.414 3.878 30 20 CHED CC(F)(F)c1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 597900673 PKNWICFJZRDHJB-GFCCVEGCSA-N 292.329 3.564 30 20 CHED CCCCCCCCCN(C)C(=O)C1CCN(C)CC1 746150714 AVPYDFZHTCLQFT-UHFFFAOYSA-N 282.472 3.537 30 20 CHED C=CC[C@H](NC(=O)N1[C@H](C)CCC1(C)C)c1ccncc1 919004825 VZYDYNQYZZLHIG-HIFRSBDPSA-N 287.407 3.671 30 20 CHED CCC#C[C@@H](C)Sc1nnc(-c2sc(C)nc2C)o1 677131646 QPKVTXGIIPAXEK-MRVPVSSYSA-N 293.417 3.704 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N1C[C@@H]2CCCC[C@@H]21 596295140 QCCCWRCWVAFYFX-BONVTDFDSA-N 299.324 3.763 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(COC)cc2)cc1 742859933 DVCXEXILSPIEOY-UHFFFAOYSA-N 298.338 3.617 30 20 CHED CCC[C@H](C(=O)N[C@H](C)CC#N)c1cccc(Cl)c1 599221031 JZQNIMLKXFKCSN-RISCZKNCSA-N 278.783 3.642 30 20 CHED CC1(C)Cc2cc(CN3CCC[C@H](CC#N)C3)ccc2O1 597174452 QVYGSVJHQFCSRW-CQSZACIVSA-N 284.403 3.526 30 20 CHED COc1ccc(C(C)=NNc2cc(C)ccc2C)c(O)c1 916345562 GHLQCMLHQCEGAE-UHFFFAOYSA-N 284.359 3.854 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)CC1(C#N)CCCCC1 597758514 BJBXOBPSFACTFQ-GDBMZVCRSA-N 276.424 3.936 30 20 CHED CCCCCCC[C@H](C)CNC(=O)/C=C\c1cnn(C)c1 917873043 UKOGNPYEBAWCPZ-WOLCWHLNSA-N 291.439 3.546 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H](c2ccc(F)cc2)C1 595340486 WTYMHBGGAOXQOF-FUHWJXTLSA-N 280.346 3.880 30 20 CHED C=C(Br)CN(C)[C@@H](C)c1ccc(F)c(F)c1 919647738 LTZLNYJZINOBQO-VIFPVBQESA-N 290.151 3.866 30 20 CHED N#CC1(CCOc2cc(F)ccc2[N+](=O)[O-])CCCCC1 842013633 QBZMJHYTARIRSC-UHFFFAOYSA-N 292.310 3.977 30 20 CHED CCC(CC)[C@@H](CC/N=C/c1c(O)cccc1OC)OC 746523351 VKTZHTRFUCTRRK-YAJBTMAUSA-N 293.407 3.661 30 20 CHED C=CCN(C(=O)CCc1cccc(Cl)c1)C(C)C 915153463 MOOJRKHXAXSQCE-UHFFFAOYSA-N 265.784 3.696 30 20 CHED C[C@]12CN(c3nc(C#N)c(Cl)s3)C[C@H]1[C@@H]1CC[C@H]2C1 596260901 PDNRKQIFUTVVMR-MAGOMRGPSA-N 293.823 3.541 30 20 CHED CCCCCCCOC(=O)c1cc(F)cc2nccnc12 918494749 YZQLSLFUFYBPJJ-UHFFFAOYSA-N 290.338 3.896 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)c1ccccc1F 843265461 NNHFDGDUJUXZCP-BQYQJAHWSA-N 272.323 3.574 30 20 CHED C[C@@H]1CC[C@H](C/N=C/c2cc(Cl)cc(Cl)c2O)O1 840708364 ALMTXJSWAFRNJP-UGJQMRQPSA-N 288.174 3.685 30 20 CHED Cc1nc(Cl)cc(NN=Cc2c(F)cccc2Cl)n1 741764232 XVGAYNQWYSCEIL-UHFFFAOYSA-N 299.136 3.677 30 20 CHED N#CC1(c2ccc(CNC3CC(C(F)(F)F)C3)cc2)CC1 594954768 NWMIQBNPATWZKI-UHFFFAOYSA-N 294.320 3.672 30 20 CHED C=CCCCCNC(=O)CCCOc1ccc(C)cc1 681145495 ONCZUGBXBUZBCS-UHFFFAOYSA-N 275.392 3.627 30 20 CHED C=C(C)CONC(=O)N(C)[C@H](C)c1ccccc1Cl 845593297 NXNZSJYWDNFEKU-LLVKDONJSA-N 282.771 3.550 30 20 CHED C=C(C)CCOC(=O)c1csc(C(C)(C)C)n1 744303563 IDEMAQGPRLAJQK-UHFFFAOYSA-N 253.367 3.564 30 20 CHED C=CCn1c(SCCC(C)C)nnc1-c1ccco1 685351182 JMDRFRASDXWWJK-UHFFFAOYSA-N 277.393 3.862 30 20 CHED C=CCCOCC(=O)Oc1ccc(Oc2ccccc2)cc1 920789776 DLESKFZVGPSHHV-UHFFFAOYSA-N 298.338 3.977 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](CC)c1cccc(Cl)c1 844284264 CURYASHHKPYNNL-GWCFXTLKSA-N 282.771 3.596 30 20 CHED C[C@@H](O)CN(C)N=CCCc1ccc(-c2ccccc2)cc1 841650566 MAWGQWHRNKIQOR-MRXNPFEDSA-N 296.414 3.585 30 20 CHED N#Cc1cccc(CC(=O)OCCC2(C#N)CCCCC2)c1 840255830 MRCOFIVMRIPOHG-UHFFFAOYSA-N 296.370 3.508 30 20 CHED C=C[C@H](C)NCc1cc(-c2ccccc2)ccc1O 756903154 LLQIQKNYKNGLIG-ZDUSSCGKSA-N 253.345 3.723 30 20 CHED C[C@@H](CC=NOCc1cccnc1)c1ccccc1 755802187 QOSLVJSPKIFTJJ-AWEZNQCLSA-N 254.333 3.778 30 20 CHED Cc1cc(N2CCCC2)ccc1N=Cc1cccc(O)c1O 920945130 QMMNDEDCMRGGJB-UHFFFAOYSA-N 296.370 3.757 30 20 CHED CCCOc1ccc2c(c1)C(=O)/C(=C/c1cccnc1)CO2 920066566 TWZLMNZPUFIZTB-NTEUORMPSA-N 295.338 3.529 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H]1c1cccc(F)c1 684929112 DWEAFAMLVLMYOT-GJZGRUSLSA-N 276.355 3.637 30 20 CHED C=CCN(C(=O)C1(c2cccc(C)c2)CCC1)C1CC1 680397995 GDOBZBJGYPKBPI-UHFFFAOYSA-N 269.388 3.594 30 20 CHED C=C[C@H](C)NC(=O)/C=C\c1ccccc1O[C@@H](C)CC 757007054 VGVMCJAXRXKWSC-HFOMYUCASA-N 273.376 3.568 30 20 CHED CC[C@H](/N=C\c1c(O)cccc1OC)c1c(C)noc1C 756845025 AWISPXAFTLQNKM-OLWAXZHHSA-N 288.347 3.576 30 20 CHED C#CC[C@H](NC(=O)c1ccc(F)c(C)c1)c1ccccc1 757580968 VJUSWHJNTOZTHA-KRWDZBQOSA-N 281.330 3.629 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cc2ccccc2o1 755813752 HSDCDLXNKIKWAD-OAHLLOKOSA-N 259.305 3.700 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(C(C)(C)O)cc2)c1 926549726 HHMWMTSWEAJMLJ-HNNXBMFYSA-N 293.410 3.746 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H]1C1CCOCC1 858112138 GQZUJRKDECESHL-MRXNPFEDSA-N 296.455 3.557 30 20 CHED C=C(Cl)COc1ccc([C@](C)(O)C(F)(F)F)cc1 853676612 GPFFNCHHTGNXCS-NSHDSACASA-N 280.673 3.588 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1ccc(Cl)nc1 751133969 UEQPQVOUVDKADV-JTQLQIEISA-N 271.751 3.743 30 20 CHED CCC(C)(C)C1CCC(=NNC2CCOCC2)CC1 757585266 DTYHISQPZVKTMG-UHFFFAOYSA-N 266.429 3.737 30 20 CHED C=C[C@H](CC(=O)OCC[C@H]1CCCC1=O)c1ccccc1 758922408 YKMDPGMFGOUUHT-GDBMZVCRSA-N 286.371 3.649 30 20 CHED C=C(C)[C@@H](C)OC(=O)/C=C/c1ccc2[nH]ccc2c1 755998994 BYZGMYQYMCGYOZ-HOSRBBHYSA-N 255.317 3.689 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCC(F)(F)C1 754867899 OJUJTBFNJFBXJA-GFCCVEGCSA-N 276.371 3.834 30 20 CHED CC(C)(C#N)CCN(Cc1ccccc1)CC(F)F 131759402 AZYOOPFKNNRXIG-UHFFFAOYSA-N 266.335 3.694 30 20 CHED C#CC(C)(C)NC(=O)Nc1nc(C)c(-c2ccccc2)s1 752266838 RZOMCQFHOGEKMP-UHFFFAOYSA-N 299.399 3.652 30 20 CHED C#CCCCC(=O)Nc1cc(SC)ccc1Cl 855285999 YYFRCLOPPQZRTP-UHFFFAOYSA-N 267.781 3.804 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1ccccc1O 757474113 JECQMMFUHRCDFN-KTKRTIGZSA-N 278.307 3.607 30 20 CHED Cc1ccc(-c2nc(CN3CCC[C@@H](C#N)C3)cs2)cc1 932160792 GCCOTGBNKOHERO-AWEZNQCLSA-N 297.427 3.854 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Oc1ccc(C#N)cc1F 769738577 UTUMPJVBXOKPAH-HNNXBMFYSA-N 297.329 3.872 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(-c2ncc[nH]2)ccc1C 935759883 PPFIJCNULXZBSA-CYBMUJFWSA-N 283.375 3.926 30 20 CHED Cc1cc(OCc2ccc(CF)cc2)ccc1C#N 766067720 KMRGRTGEANWEAI-UHFFFAOYSA-N 255.292 3.915 30 20 CHED Cn1cnc2cc(/C=C/C(=O)c3ccc(Cl)nc3)ccc21 761207359 UHIFSQRGZHFOGK-ZZXKWVIFSA-N 297.745 3.518 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)O[C@H](C)CC#N 860546215 ZLHLZVWYOQPAAA-LLVKDONJSA-N 269.300 3.714 30 20 CHED Clc1ccc2c(NN=CC[C@@H]3CCOC3)ccnc2c1 765549257 UASNPFAIRGZEJR-LLVKDONJSA-N 289.766 3.713 30 20 CHED Fc1ccc(NN=C2CCC23CCOCC3)cc1Cl 863178817 HDQJNMJQFHPMHY-UHFFFAOYSA-N 282.746 3.838 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OC1CCC(F)(F)CC1 860966978 CIRUKUCDQAPFBN-AATRIKPKSA-N 291.297 3.693 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccccc1C(C)(C)C#N 767664283 MYCJRTXJXVFCDN-UHFFFAOYSA-N 283.371 3.580 30 20 CHED C#CCCCN1CCC(c2c[nH]c3ccc(OC)cc23)CC1 766894762 GOXXYMLFSLQOAT-UHFFFAOYSA-N 296.414 3.769 30 20 CHED C#C[C@@H](C)N(C)CCOC(c1ccccc1)c1ccccc1 769962123 BIHMUAOYSQOQFP-QGZVFWFLSA-N 293.410 3.746 30 20 CHED C[C@H](C=NO[C@@H]1CCCCO1)c1cccc(Cl)c1 763370229 MQWWWKRGOWWNPB-BXUZGUMPSA-N 267.756 3.973 30 20 CHED Cc1cc(C=NNCc2ccccc2Cl)ccc1C#N 766451449 WZHIKEGKTMJNPG-UHFFFAOYSA-N 283.762 3.644 30 20 CHED C#CCOc1ccc(NC(=O)/C=C/C(=C/C)CC)cc1 765454119 YJNROACPIZSUAZ-IJUGZYFDSA-N 269.344 3.550 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)C(=O)OC1CCCC1 763304935 PVQRZAIIOHJWKQ-KBPBESRZSA-N 267.413 3.585 30 20 CHED C[C@H]1CC[C@@H](CCC(=O)OCCCCC(C)(C)C#N)O1 768750993 IWSKCFGKZBWGTD-KBPBESRZSA-N 281.396 3.597 30 20 CHED COc1cc(C)c(/C=C/C(=O)c2cncc(C)c2)cc1OC 767366425 KHISMDMRBXNQQH-AATRIKPKSA-N 297.354 3.612 30 20 CHED N#C[C@@H](C(=O)[C@@H](F)c1ccccc1)c1nc2ccccc2o1 769290303 CFIWHLVNBUXEFE-WFASDCNBSA-N 294.285 3.715 30 20 CHED N#Cc1ccc(NCc2cccc(C(F)F)c2)nc1 1116705706 QZHYOTSRMLUMIX-UHFFFAOYSA-N 259.259 3.503 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2cncc(Br)c2)C1 1116935865 PQOYVRPKTSAABE-NXEZZACHSA-N 282.185 3.678 30 20 CHED CC(C)(C)SCCCN(CCC#N)Cc1ccccn1 878168618 DMGGSULFVHNUEJ-UHFFFAOYSA-N 291.464 3.719 30 20 CHED C#C[C@@H](OC(=O)c1nc(C)sc1-c1ccccc1)C1CC1 779458536 IWBFSPNMZVIWJZ-CQSZACIVSA-N 297.379 3.687 30 20 CHED CC(C)c1nc(/C=C\C(=O)c2ccncc2)c2ccccn12 776188288 MIIWTUUNAJGABR-SREVYHEPSA-N 291.354 3.749 30 20 CHED CCC(=NNCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 773053103 DSMFLYFAHNAFQC-UHFFFAOYSA-N 299.324 3.740 30 20 CHED C=CC(C)(C)CC(=O)NCc1csc(-c2ccco2)n1 879179473 XZIHZYWZJXAIJC-UHFFFAOYSA-N 290.388 3.622 30 20 CHED C=C1CCC(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)CC1 1119458795 LEFAAVITRIGTSV-CZUORRHYSA-N 285.387 3.761 30 20 CHED N#C[C@@H](C(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1ccccn1 870135936 FOXVWSRWLBVZCD-QJPTWQEYSA-N 296.292 3.627 30 20 CHED C(=NOC1CCCCC1)c1cccc2cccnc12 777459635 SROUESXFJZEWJM-UHFFFAOYSA-N 254.333 3.918 30 20 CHED CC(C)(C#N)CCN(Cc1ccco1)Cc1ccccc1O 776592346 LWOCAKWGXBUHQC-UHFFFAOYSA-N 298.386 3.927 30 20 CHED C#C[C@H](C)N(C)C[C@@H](C)c1cccc(Br)c1 775180080 VFVHLQQMPKMFLR-NEPJUHHUSA-N 280.209 3.506 30 20 CHED C=CCCCCNC(=O)NC(C)(C)c1ccc(F)cc1 771314800 FDKJLTIWBAUIJU-UHFFFAOYSA-N 278.371 3.716 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)OCCC(C)(C)C#N)cc1 776394078 RDMNESQIPFEVQD-ZDUSSCGKSA-N 289.375 3.961 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)/N=C\c1ccccc1O 775628941 BYPLWKUQQLLOBG-RNSKRUMRSA-N 287.334 3.726 30 20 CHED N#Cc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1F 770573847 VHIRFMBRBWLOOD-IZZDOVSWSA-N 281.261 3.659 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C/c1cccc(F)c1 778985719 VGMVYRPHWARJDX-CMDGGOBGSA-N 299.345 3.689 30 20 CHED C=C[C@H](C(=O)N1CC2(CCC2)[C@@H]1C1CC1)c1ccccc1 1123787863 PTXVHZCKPQTLNL-IRXDYDNUSA-N 281.399 3.747 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(SCC)cc1 1123556728 HXZYEPLFJMZVQX-LBPRGKRZSA-N 263.406 3.942 30 20 CHED C=CC(C)(C)CC(=O)N1CC(c2cccc(Cl)c2)C1 880225622 ZZBRDCRNRCXCSP-UHFFFAOYSA-N 277.795 3.868 30 20 CHED Cc1cccc2c1CCC2=NNc1cc(Cl)ccn1 777906494 YISMIMHVNLVSOC-UHFFFAOYSA-N 271.751 3.806 30 20 CHED C[C@H]1CC(=NOCCC(F)(F)F)c2c(O)ccc(F)c21 777462466 BRIODRXNQICDIZ-ZETCQYMHSA-N 291.244 3.712 30 20 CHED COc1cc(NN=C(C)CC2CC2)ccc1Cl 788467020 AMKUCAIJDPTTQU-UHFFFAOYSA-N 252.745 3.937 30 20 CHED Cc1ccsc1C(=O)OCCCC(C)(C)C#N 782022611 KZTQXCIZIVTUNQ-UHFFFAOYSA-N 251.351 3.543 30 20 CHED CCCC[C@H]1CCCC1=NN[C@H]1CCOC(C)(C)C1 780247660 SZOJUTMKYILDCF-KBPBESRZSA-N 266.429 3.880 30 20 CHED C=CCCN(C)Cn1cc(-c2ccccc2)n(C)c1=S 786102996 ZEXAYGGVNIUWBX-UHFFFAOYSA-N 287.432 3.688 30 20 CHED CCC/C(C)=C/C(=O)Nc1ccccc1O[C@H](C)C#N 780154302 PHYHKCVVKDBPKQ-RSKUSDAESA-N 272.348 3.662 30 20 CHED Cc1ccc2cc(C=NNC3CCCCC3)ccc2n1 786042011 GGPUKVDEHUWZES-UHFFFAOYSA-N 267.376 3.799 30 20 CHED Cc1ccc2nc(/C=C3\Cc4ccc(F)cc4C3=O)cn2c1 789142225 IRIFXYVEXGJDSN-NTUHNPAUSA-N 292.313 3.604 30 20 CHED C#CCN(CC)C(=O)NC1CCC2(CCCCC2)CC1 786867249 XCUFQASEERJNLE-UHFFFAOYSA-N 276.424 3.544 30 20 CHED CC1(C)C[C@@H](NN=C2CCC[C@@H](C(F)(F)F)C2)CCO1 783524823 SMLIVPVXUKOUOT-PWSUYJOCSA-N 292.345 3.642 30 20 CHED CCCCCCCCN[C@H]1CCN2CCC[C@@H]2C1 106869017 WFWPFSSBBQCGNE-JKSUJKDBSA-N 252.446 3.563 30 20 CHED C=Cc1ccccc1NC(=O)N(C)Cc1cccc(C#N)c1 1208365077 MWKRBCBVBNNOGC-UHFFFAOYSA-N 291.354 3.865 30 20 CHED CC(C)C[C@H](C)C=NNc1nc2cc(F)c(F)cc2[nH]1 799108694 GYEPVDJWLQJWNG-VIFPVBQESA-N 280.322 3.921 30 20 CHED CC(C)n1nccc1C=NNc1ccc(Cl)cc1 794446104 XIPVDCBSXWQCLC-UHFFFAOYSA-N 262.744 3.563 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C)cc1NCC 790977316 HGQNJIYFIJFRNY-UHFFFAOYSA-N 272.392 3.949 30 20 CHED C#C[C@@H](CCC)NC(=O)C1(Cc2ccccc2Cl)CC1 791738741 XAAZBAWNAMCKLA-AWEZNQCLSA-N 289.806 3.581 30 20 CHED CCCCCCCCn1ccnc1C(=O)c1cccnc1 794726897 QBHGDIVEEGMBGT-UHFFFAOYSA-N 285.391 3.870 30 20 CHED COc1ccccc1CON=C(C)c1ccc(C)cc1O 799118473 HUXKRDPXRAJUJL-UHFFFAOYSA-N 285.343 3.650 30 20 CHED Cn1ccc2c(C(=O)OCC(C)(C)CCC#N)cccc21 798878050 ZJMIEXZXRCDHBC-UHFFFAOYSA-N 284.359 3.665 30 20 CHED C=CCOCCOC(=O)c1cc2cc(C)ccc2s1 797325384 WDUFKMYKMVMBCZ-UHFFFAOYSA-N 276.357 3.569 30 20 CHED C[C@@H]1CSCC1=NNc1ncc(Cl)cc1Cl 794873506 RFRIIKQWNNBTCT-ZCFIWIBFSA-N 276.192 3.539 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCC[C@H]2CCF)c1 794924098 UOLPNMWKVFWKQG-JTQLQIEISA-N 280.734 3.534 30 20 CHED CCOc1cccc(F)c1CNc1cc(F)cc(C#N)c1 1203373170 NDQKQZDDWGIPDK-UHFFFAOYSA-N 288.297 3.847 30 20 CHED C=CCCCCC[C@H](C)Nc1cccc(C(N)=O)c1OC 793548869 AVWVGMGJHPKFBV-ZDUSSCGKSA-N 290.407 3.731 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC[C@@H]2c2ccccn2)cc1 794857364 YNFMVQUNRVIYMP-CQSZACIVSA-N 296.330 3.725 30 20 CHED O=C1/C(=C\c2c(F)ccc(O)c2F)Cc2c(F)cccc21 794935476 RQGILIVWMIMGDU-FPLPWBNLSA-N 290.240 3.632 30 20 CHED C#CCCCCC(=O)Nc1cnn(C(CC)CC)c1CC 791620741 WGFFENPJOBNLHA-UHFFFAOYSA-N 289.423 3.939 30 20 CHED C=CCCCC(=O)Oc1ccc2c(c1)C(=O)CC(C)(C)O2 797168500 CWTHRKLMPHAEAP-UHFFFAOYSA-N 288.343 3.692 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C/c2ccn(C)n2)c1 794724652 SBBQWLRNOLWJOR-BQYQJAHWSA-N 268.360 3.515 30 20 CHED N#Cc1cc2c(nc1N[C@H]1CCC[C@H](F)C1)CCCC2 571202702 GQBRDNPIGCLXBK-KBPBESRZSA-N 273.355 3.525 30 20 CHED CC1(C(=O)[C@H](C#N)c2cnc3ccccc3n2)CCCCC1 792108735 KLUZVYPYWVVHQM-CYBMUJFWSA-N 293.370 3.776 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C(=O)O)oc1C 692252031 CTKORHSEEYRHPD-OCCSQVGLSA-N 277.364 3.511 30 20 CHED N#Cc1nc(NC[C@H]2CCC[C@H]2C2CC2)sc1Cl 1307142788 UGUJUNFCNGWDPP-ZJUUUORDSA-N 281.812 3.906 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)NCCCCC#N 1318506859 GTQSGNLLFQSZCV-PMPSAXMXSA-N 293.455 3.688 30 20 CHED CN(C)c1cccc(Cl)c1C=Nn1cnc2ccccc21 1319824957 UZYWUIRHQZUVLO-UHFFFAOYSA-N 298.777 3.638 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C\c1scnc1C)C2=O 1318852374 YEXBOFVRXCEHGZ-VKRGWIQLSA-N 285.368 3.849 30 20 CHED CCC[C@@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1 1162189491 AGWLZDGZCVECFL-GFCCVEGCSA-N 282.347 3.741 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)OC1CCCCC1 1318646996 LIJAOKZSFGRBDQ-HNNXBMFYSA-N 281.440 3.929 30 20 CHED Cc1ncccc1CSCCCC1(C#N)CCOCC1 1323959591 DVZDHZBXRXYMGS-UHFFFAOYSA-N 290.432 3.724 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1c(C)nc2sccn12 1320873802 HDNRFMJNSNXDLU-GFCCVEGCSA-N 290.436 3.597 30 20 CHED COC(=O)c1cccc(/C=C2/C(=O)c3ccccc3[C@H]2C)c1 1323541617 VZONMGKGSNOALX-PBSOMRJOSA-N 292.334 3.857 30 20 CHED CCn1cc(N(Cc2ccc(C#N)cc2C)CC(C)C)cn1 1170274770 ZYWVMGJFLLQHNZ-UHFFFAOYSA-N 296.418 3.746 30 20 CHED CCCOc1cc(/C=C\c2cc(C#N)ccn2)ccc1OC 1321003247 AIWWVTGWUIWAKH-XQRVVYSFSA-N 294.354 3.921 30 20 CHED CCCCC[C@H]1CCCN1c1cccc(CC#N)n1 1325710815 VMMLTLBWQJPDAQ-HNNXBMFYSA-N 257.381 3.697 30 20 CHED CSc1ccccc1C(C)=NN[C@@H]1CCOC(C)(C)C1 1321179768 JMWYVFOKEQINKH-CYBMUJFWSA-N 292.448 3.680 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCC[C@H](SCC)C1 1335807772 XYQTYASZXNJEON-OLZOCXBDSA-N 255.427 3.523 30 20 CHED C#Cc1ccc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)nc1 1336476978 OILUJBKFBVRYBR-PKOBYXMFSA-N 292.382 3.643 30 20 CHED N#CC1(CCCCN2CCC([C@H]3CCCO3)CC2)CCC1 1335907664 UOPCAYFJYRJAGO-QGZVFWFLSA-N 290.451 3.742 30 20 CHED CC[C@](C)(C#N)c1nnc(CSc2ccc(C)cc2)o1 1330085344 WMZUUNJTOFIJAF-OAHLLOKOSA-N 287.388 3.862 30 20 CHED CCCCCCCCC(=O)NCCc1scnc1C 1330680034 NBRKNVLZQUMHED-UHFFFAOYSA-N 282.453 3.861 30 20 CHED CC[C@H](Nc1cc(C#N)cc(Cl)n1)c1c(C)noc1C 1336574693 KEDHXIRPZDOTNC-NSHDSACASA-N 290.754 3.775 30 20 CHED CC[C@@H]1CCC[C@@H]1c1nnc(COc2ccccc2C#N)o1 1261573645 ZZSDDZLCWPIKSB-OCCSQVGLSA-N 297.358 3.814 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc[nH]c1C(C)C 1336757927 BSRKKBQDEKVPRJ-ZDUSSCGKSA-N 260.381 3.709 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccoc1Cl 1262809808 PZWSLHGNIIUCHG-JTQLQIEISA-N 253.729 3.504 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2cnc(Cl)cc2C#N)C[C@H]1C 1340723294 YQKNBZPFMZGPRX-MXWKQRLJSA-N 291.782 3.617 30 20 CHED N#Cc1sccc1C(=O)Nc1cccc(C(F)(F)F)c1 1349664060 QTHHTFMUOBMJPL-UHFFFAOYSA-N 296.273 3.891 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C)nc1C 1347682136 PMMOHFPKEXEQEM-AWEZNQCLSA-N 273.380 3.661 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)O[C@H]1CC[C@H](C#N)C1 1342610070 FXUSNEOTFPSAJC-STQMWFEESA-N 286.375 3.616 30 20 CHED C[C@@H]1C[C@@H](OC(=O)c2csc(C#N)c2)CC(C)(C)C1 1438069819 VIWKIKMJSBDORR-ZYHUDNBSSA-N 277.389 3.991 30 20 CHED CCC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C#N 213415033 VLCHPDGKXVXGNI-CYBMUJFWSA-N 273.336 3.625 30 20 CHED CC[C@H](F)C(=O)Nc1sc(-c2ccccc2)cc1C#N 1355050912 RKTPQLUKVWLNPU-LBPRGKRZSA-N 288.347 3.973 30 20 CHED C[C@H]1CC[C@@H](CC(=O)O[C@@H](C)c2cccc(C#N)c2)C1 1435509201 YCBRUNWJQNJBDF-MELADBBJSA-N 271.360 3.989 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)cc1C#N)c1ccco1 1437646241 KKJKOSOCHBIHOH-VIFPVBQESA-N 274.707 3.547 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)c2ccsc2)c1 1535892923 JGCCWJCOPXXKFK-LLVKDONJSA-N 270.357 3.670 30 20 CHED Cc1ccc(N(C)C(=O)[C@@H](CC#N)c2ccccc2)cc1 1536541278 RYYHZCYXZGHKMZ-KRWDZBQOSA-N 278.355 3.655 30 20 CHED N#Cc1c(CSc2cccc(F)c2)cccc1C(=O)O 1610624863 HQKBVNPTYWCGDE-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)c1ccsc1 1625455539 WYNQUSDOIZUWDB-SECBINFHSA-N 289.335 3.642 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cccc(Br)c1 119362505 UMGMZPBFEZDYGS-ZJUUUORDSA-N 254.171 3.674 30 20 CHED N#Cc1csc(CNc2ccc3occc3c2)c1 1560551961 NXZLXILMDYJIKV-UHFFFAOYSA-N 254.314 3.978 30 20 CHED COc1ccc(CN(C)[C@@H](C)CC#N)cc1C(C)(C)C 1658954737 CDYKPUCOJJVTOH-ZDUSSCGKSA-N 274.408 3.727 30 20 CHED Cc1cc(CSc2ccc(C#N)cc2F)ccn1 1652673756 KTKZDSPXCLGYIY-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#Cc1cnnc(Oc2cc(C(F)(F)F)ccc2Cl)c1 1651293684 NMRTVMUVPAUHDD-UHFFFAOYSA-N 299.639 3.813 30 20 CHED N#Cc1cccc(C(=O)Nc2cc3ccccc3cc2C#N)c1 1583717706 SUGRYUUCGUNGSD-UHFFFAOYSA-N 297.317 3.835 30 20 CHED Cc1cc(CNC[C@@H]2CCC[C@@H]2C2CC2)ccc1C#N 1662652293 JDARZYAKRLBOBQ-ZWKOTPCHSA-N 268.404 3.783 30 20 CHED CC(CCCCCCC(=O)O)=NNCCC(C)(C)C 1776054080 XPHOYCLETIPYHI-UHFFFAOYSA-N 270.417 3.813 30 20 CHED C=CCN(Cc1ccc(F)cc1)Cc1cccc(C(=O)O)c1 1776180057 PCMVONZPFKMPDD-UHFFFAOYSA-N 299.345 3.712 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2ccccc2C2CC2)C1 1776155734 SNIJKNOUTUFAFD-IBGZPJMESA-N 299.414 3.807 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cnn(C(C)C)c1 161525599 SGVTVPYYBFTCAL-OAHLLOKOSA-N 299.418 3.880 30 20 CHED C=CCN(C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 161858398 JSJKVFLRFITXMN-MNOVXSKESA-N 284.186 3.741 30 20 CHED CN(CCc1ccc(F)c(F)c1)Cc1cccc(C#N)c1 151896679 HXSIJZXABMFRJW-UHFFFAOYSA-N 286.325 3.511 30 20 CHED CCSCc1cccc(NC(=O)N[C@H](CC)CC#N)c1 157520716 LXXGGXVTDCXZMV-CYBMUJFWSA-N 291.420 3.753 30 20 CHED COc1cc(C)ccc1NCc1ccc(C#N)s1 157537703 FVBNKNMTDMYNLC-UHFFFAOYSA-N 258.346 3.549 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 157904648 NFYIVKROYCNFHU-RDTXWAMCSA-N 286.419 3.797 30 20 CHED CCC1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1 154393661 JRDUKQYQRXERFC-UHFFFAOYSA-N 292.329 3.535 30 20 CHED CC(C)[C@H](C)N(C(=O)c1ccc(C#N)c(Cl)c1)C1CC1 154628841 JWWBMPGTFWHURM-NSHDSACASA-N 290.794 3.861 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccc(OCC#N)cc1 37254471 WHNYNHLOTWMBKC-IJEWVQPXSA-N 272.392 3.818 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cc2c(s1)CCCC2 48151421 QUVYMDHCQPAQRB-UHFFFAOYSA-N 290.432 3.639 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)c2cc(C)oc2C)n1 44730846 XKXDLMBDQUIESP-GFCCVEGCSA-N 269.348 3.953 30 20 CHED CCO[C@H]1C[C@@H](Nc2cc(C)cc(C#N)c2)C12CCC2 308124893 YICRHZATVLMCPM-CVEARBPZSA-N 270.376 3.626 30 20 CHED CCCCCCCCN1CCC2(CC1)C[C@@H]2C(=O)O 405412605 NBEIJNRFWVXYNN-CQSZACIVSA-N 267.413 3.534 30 20 CHED C[C@H]1SCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 311815755 DEARWVPHZBCBOH-PRHODGIISA-N 286.322 3.883 30 20 CHED C=CCC1(NCc2ccc(Cl)cn2)CCCC1 661852570 YZGJDFYFDCUSSV-UHFFFAOYSA-N 250.773 3.714 30 20 CHED N#Cc1cnc(NCCCC2CCCC2)c(Cl)c1 608885352 XSAUHAKPKZVXPQ-UHFFFAOYSA-N 263.772 3.989 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 79827066 KECRIFQVCDMLIF-VIFPVBQESA-N 298.173 3.761 30 20 CHED C=CCN(Cc1ccc(Br)s1)C(C)C 726983844 FGKYZCNYXVLRIB-UHFFFAOYSA-N 274.227 3.907 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(C(F)(F)F)ccc1F 384876519 SHJWGRHECGYISV-UHFFFAOYSA-N 289.272 3.787 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)n1 346820034 VLNVAJDSMPSZFU-UMVBOHGHSA-N 255.365 3.642 30 20 CHED CCCC(CCC)=NNC(=S)Nc1ccccc1OC 6299246 NPFDSAYVEYBZNQ-UHFFFAOYSA-N 293.436 3.938 30 20 CHED Cc1cccc(C(=O)OCc2cccc(C#N)c2)c1C 6422490 FYNLYTSJRRMVON-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 7906352 ACVPPDWQHBHXHZ-UHFFFAOYSA-N 255.248 3.692 30 20 CHED CCCC[C@H](CC)CNC(=O)CCc1ccc(C#N)cc1 53674976 QIXPHNVYXAITPM-HNNXBMFYSA-N 286.419 3.823 30 20 CHED CCC(CC)CNCc1cccc(OCCCC#N)c1 106479757 XFGVVLIXYCYSAL-UHFFFAOYSA-N 274.408 3.895 30 20 CHED C[C@H](c1ccc(OC(F)F)cc1)N1CCC(C#N)CC1 57872472 DRDDPQHKZNVBRZ-LLVKDONJSA-N 280.318 3.585 30 20 CHED C[C@@H](c1ccco1)N(C(=O)c1sccc1C#N)C1CC1 52032554 BEMADMNNRXFCJU-JTQLQIEISA-N 286.356 3.579 30 20 CHED N#Cc1cc(CN2CCS[C@H]3CCCC[C@H]32)ccc1F 246387100 AQQKFPBBQZURSR-CVEARBPZSA-N 290.407 3.557 30 20 CHED C=CC1CCN(Cc2ccc(SC)c(OC)c2)CC1 111256292 PDHPZXZXRUPSAX-UHFFFAOYSA-N 277.433 3.815 30 20 CHED C=CCC[C@H](O)CN1CCC(c2ccccc2C)CC1 177501511 YZNYVDKSZUVJHC-KRWDZBQOSA-N 273.420 3.502 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cc(C)c(O)c(C)c1 119026041 SRSIJQCGPWDEHO-SNAWJCMRSA-N 256.301 3.807 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 116857892 TYSLTHMHTOXWGM-UHTWSYAYSA-N 263.768 3.524 30 20 CHED N#C[C@@H](NC(=O)CCC1CCCC1)c1ccccc1Cl 172030366 LMAIQKIKRAKXHS-OAHLLOKOSA-N 290.794 3.991 30 20 CHED C=CCCCC(=O)N1CCOc2ccc(C(F)(F)F)cc21 177656557 PHRSXQHEVGJCNN-UHFFFAOYSA-N 299.292 3.787 30 20 CHED CC(C)CCO[C@H](C)C(=O)O[C@H](C)c1ccc(C#N)cc1 175809526 GEOHIIPJYINBAU-ZIAGYGMSSA-N 289.375 3.614 30 20 CHED CCC[C@@H](C)N(C)c1nc(C)c(C#N)cc1Cl 310502264 IGDRKCZLNFWABI-SECBINFHSA-N 251.761 3.540 30 20 CHED CN(C[C@@H]1CC=CCC1)c1ccc(C(F)(F)F)c(C#N)n1 409720103 MKXUGQOUKKLEBA-LLVKDONJSA-N 295.308 3.765 30 20 CHED C#CCOc1ccc(C(=O)N(C2CC2)[C@H](C)[C@H](C)CC)cc1 303818839 DMIWKNBRPGYTSN-HUUCEWRRSA-N 299.414 3.738 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ncc(CC)s1 174165576 SEQKLFHWYZHMLY-UHFFFAOYSA-N 295.452 3.593 30 20 CHED C#CCCCNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 172943720 WROAMEFIVPVJJY-GFCCVEGCSA-N 297.320 3.729 30 20 CHED CCn1ccc(CN(C)c2c(C#N)cnc3ccccc23)c1 302649447 BFTUXSJOWRJBSL-UHFFFAOYSA-N 290.370 3.564 30 20 CHED CC[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 302303076 QTABQPSZLSXYBM-JTQLQIEISA-N 268.282 3.813 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCC1CCC1 175382619 AYJHONOALBCRGA-UHFFFAOYSA-N 263.406 3.843 30 20 CHED N#Cc1cccc(C#N)c1NCc1ccccc1Cl 302382963 ABKJFZOEDRBBNG-UHFFFAOYSA-N 267.719 3.695 30 20 CHED C[C@H](C1CC1)n1cc(Nc2snc(Cl)c2C#N)cn1 302376207 FYDXCQOHTYKDOG-SSDOTTSWSA-N 293.783 3.579 30 20 CHED CC(C)[C@@H](CNCc1ccc(C#N)s1)Nc1ccccc1 176965466 MMTIWCJJTHACAA-QGZVFWFLSA-N 299.443 3.846 30 20 CHED CC(C)[C@@H](CNCC(C)(C)CCC#N)c1cccnc1 177596474 BTDQGWQXFHZZNO-MRXNPFEDSA-N 273.424 3.741 30 20 CHED N#Cc1cccc(Nc2cccc(N3CCCCC3)c2)n1 301874683 XUSOVLJZUIMTEQ-UHFFFAOYSA-N 278.359 3.687 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cc1 175314772 ATTVRXNMHWGNNG-QPJJXVBHSA-N 274.266 3.875 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)cc1C 129906966 KKEMAAMIXZRFEY-NVXWUHKLSA-N 284.403 3.908 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1ccc(C#N)s1)C2=O 176402591 KUJUKTIYEHINMZ-XFXZXTDPSA-N 295.363 3.841 30 20 CHED CC(C)CC[C@H]1CCCCN1C(=O)c1cccc(C#N)c1 128253746 PDWLOGREVUDAIO-QGZVFWFLSA-N 284.403 3.989 30 20 CHED N#Cc1ccc(N[C@@H]2CCCN(c3ccccc3)C2)cc1 301308538 WPZYLQGFYDGGPC-QGZVFWFLSA-N 277.371 3.639 30 20 CHED CN(CCCc1ccccc1)c1ccc([N+](=O)[O-])c(C#N)c1 302185649 UGVLCVYTXZQLQL-UHFFFAOYSA-N 295.342 3.535 30 20 CHED CCCN(CC#N)C(=O)c1ccc(C(C)(C)CC)cc1 121018107 KGDJSLSAROBOFT-UHFFFAOYSA-N 272.392 3.750 30 20 CHED C=CCC[C@H](C(=O)NCCC1CC1)c1ccccc1 188298978 YKUYXGNICMYWIU-INIZCTEOSA-N 257.377 3.653 30 20 CHED C=CCCCNc1ccc(C(=O)N2CCCC2)cc1C 77245682 CIAAVOKTXOQRRY-UHFFFAOYSA-N 272.392 3.609 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(C)c1O 180059519 XBZUNVTVTYSLMO-UHFFFAOYSA-N 274.408 3.853 30 20 CHED C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)CCC(C)(C)C#N 78797250 RTKAJJNUVMVFMQ-NSHDSACASA-N 299.823 3.756 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@H](OCC)C1CCCC1 188481219 JTOIDVRGGWUYME-DOTOQJQBSA-N 281.440 3.690 30 20 CHED Cc1cc2cc(C(=O)N[C@H](C#N)CC(C)C)oc2cc1C 79920745 VMZLBHDJSVWSOW-AWEZNQCLSA-N 284.359 3.718 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CNCc1cccc(C#N)c1 479395609 HVVMTICAMQFDPX-WMLDXEAASA-N 254.377 3.640 30 20 CHED C=CCC[C@H](N[C@@H](C)C[C@@H](O)c1ccccc1)C1CC1 120646748 ITZGUESGZVKPNO-JCGIZDLHSA-N 273.420 3.833 30 20 CHED Cc1nc(NC(=O)C2(C#N)CCC2)sc1-c1ccccc1 129231797 YOJSXFKKOGGDDQ-UHFFFAOYSA-N 297.383 3.751 30 20 CHED C=CCC[C@H](C(=O)NC[C@H](C)SC)c1ccccc1 188765731 MRXSZVHIZQEEEE-ZFWWWQNUSA-N 277.433 3.604 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1ccc(C(F)(F)F)cc1 410146682 BIAFMJAJDKIKMJ-CYBMUJFWSA-N 285.309 3.719 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCc2cc(C#N)ccc21 416015462 QOFZPWFCUJYESB-ZBFHGGJFSA-N 282.387 3.664 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC1(c2cccc(C)c2)CCCC1 509154226 NGTPMNHMIKLGCF-SFHVURJKSA-N 298.430 3.863 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C)C1CCN(C(=O)OCC)CC1 187698783 NQCOFJHFLSHMSQ-GOEBONIOSA-N 296.455 3.578 30 20 CHED N#Cc1ccc(COc2ccc3c(c2)C(=O)CCC3)c(F)c1 318458928 IGFOBLSAEHNRLZ-UHFFFAOYSA-N 295.313 3.795 30 20 CHED CC#CCSc1nnc([C@H](CC)c2ccccc2)o1 78970934 REXPUUCMBMXXLM-CYBMUJFWSA-N 272.373 3.727 30 20 CHED Cc1cnc([C@@H](C)CN[C@H](C)c2cccc(C#N)c2)s1 186772494 YJMQZBKGHYZPJW-WCQYABFASA-N 285.416 3.778 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCC1 418144734 VCIJJLMERPWRAS-GFCCVEGCSA-N 296.336 3.920 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(Cl)c1 187745049 OGWXJKNYESZVNL-CQSZACIVSA-N 267.756 3.507 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1ccccc1OC 180019500 VDONRLVNQNOVPR-MRXNPFEDSA-N 285.387 3.552 30 20 CHED C=C[C@H](C)N[C@H]1CCc2cc(Br)ccc21 157225264 CKYXHZSHXXQENC-ZANVPECISA-N 266.182 3.601 30 20 CHED C=CCCCC(=O)Nc1c(C)noc1-c1ccccc1 186730871 QEIRLUFFTZQKCH-UHFFFAOYSA-N 270.332 3.945 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H](C#N)c1ccccc1Cl 186871876 ILYUYWJBDKCUOU-JMSVASOKSA-N 290.794 3.847 30 20 CHED C=C(C)[C@@H](NC(=O)CO[C@H](C)CC)c1ccc(F)c(F)c1 186081788 BAOJYCVQYFMMKK-BDJLRTHQSA-N 297.345 3.513 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)s2)s1 135686332 BVXWDCWYWMFDHL-SNVBAGLBSA-N 262.403 3.841 30 20 CHED C=CCOc1cccc(NC(=O)/C=C(/C)C2CC2)c1 48948455 FWTPYOIAXUHJOR-BENRWUELSA-N 257.333 3.546 30 20 CHED N#Cc1ccc(N2CC[C@@H](COc3ccccc3)C2)c(F)c1 503296317 QIRQURCUIXKHSA-OAHLLOKOSA-N 296.345 3.603 30 20 CHED CC#CCCCC(=O)N[C@H]1CCSc2ccccc21 185027978 WRXQJIXARLDSQZ-AWEZNQCLSA-N 273.401 3.533 30 20 CHED C=C(Cl)CNC(=O)CCSc1ccc(Cl)cc1 134807620 SYGYTOZAMLBXEW-UHFFFAOYSA-N 290.215 3.691 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)Cc1coc2cc(C)c(C)cc12 410826156 HMIOJWRZRHRMBV-HNNXBMFYSA-N 298.386 3.743 30 20 CHED N#Cc1cccc(NC2CCC3(CCOCC3)CC2)c1 500840063 DKLKZAVIRBIWQH-UHFFFAOYSA-N 270.376 3.710 30 20 CHED CCOC1CC(CC/N=C(/O)N[C@@H]2CCC[C@H](C)CC2)C1 329948354 YYSJWSAHGNEXJY-JWMHWRSXSA-N 296.455 3.664 30 20 CHED N#Cc1ccc(C2=CCN(c3ccc(Cl)cn3)CC2)cc1 502793096 KYYFYHPXASICBL-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C[C@@H](Oc1cc(F)ccc1F)c1ccc(C#N)cc1 194644039 XSLYGUCGJNMSTM-SNVBAGLBSA-N 259.255 3.976 30 20 CHED CC(C)c1csc(C/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2)n1 328936746 JOHNCVKUDFCJHX-GHMZBOCLSA-N 294.420 3.728 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 612242385 OCVMXSMCSFEHDO-AWEZNQCLSA-N 297.185 3.759 30 20 CHED C=C(C)CN(CC)Cc1ccc(Br)cc1F 61758689 QAVMEIPVJREBMB-UHFFFAOYSA-N 286.188 3.986 30 20 CHED N#Cc1cc(Cl)ccc1N1CC[C@H](c2ccco2)C1 609512875 YUFADNCMUDSNMQ-NSHDSACASA-N 272.735 3.799 30 20 CHED C=C[C@H](CC(=O)NCC(C)(C)SC)c1ccccc1 137019452 XBYPZTSOLVUARM-CYBMUJFWSA-N 277.433 3.604 30 20 CHED C=CCC[C@H](O)CN(C(C)C)[C@H](C)c1ccccc1 428865192 VLHGWXNFNFAIQK-WBVHZDCISA-N 261.409 3.785 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)N[C@@H]1CC[C@H](C#N)C1 425615449 YIHCYNXCJMEEPT-UAGQMJEPSA-N 299.418 3.861 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 512738857 GVQIQXBWJNQCRG-UWVGGRQHSA-N 279.771 3.768 30 20 CHED C=CCN(C(=O)c1cc(C)cc(Br)c1)C(C)C 131121205 JOOHSLKHFNSKGM-UHFFFAOYSA-N 296.208 3.794 30 20 CHED CC(C)(C#N)CC[S@@](=O)c1ccc2ccccc2c1 87611251 VXRJLEXMIWAHCO-IBGZPJMESA-N 271.385 3.887 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CC[C@H](Cc3ccccc3)C2)C1 424192188 IQUBLRWFILIFIZ-BDXSIMOUSA-N 268.404 3.680 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccncc1Cl 421863404 YORHXHMVBMBHGQ-NSHDSACASA-N 265.788 3.716 30 20 CHED CC[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1CCCC1 333830008 KYXHJEAQQKCAMR-WMLDXEAASA-N 274.408 3.545 30 20 CHED C=C[C@H](C)NC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 511512814 MHZOMNPZPGTDFL-LLLHUVSDSA-N 284.403 3.681 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)C#N)c(Cl)c1Cl 336195771 CSSIUFGYLIJXDT-UHFFFAOYSA-N 285.174 3.581 30 20 CHED CC(C)(C)CN(CC(C)(C)C)C(=O)NCC(C)(C)C#N 512917443 JIXCGRAGOPDQAW-UHFFFAOYSA-N 281.444 3.640 30 20 CHED C#Cc1cccc(N[C@H](C)Cc2ccc(OC)c(OC)c2)c1 237228088 FQYYCDMKGSVXSU-CQSZACIVSA-N 295.382 3.728 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1ccccc1 429837310 LATXMOHMRPNRKO-UHFFFAOYSA-N 259.393 3.683 30 20 CHED C=C(CNC(=O)N1CCC[C@H]1C(C)C)c1ccccc1 512673207 POFKPZYMKXFJIR-INIZCTEOSA-N 272.392 3.530 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccccc2N2CCCCC2)C1 334553853 ATCGBICZGIJUMJ-HUUCEWRRSA-N 269.392 3.781 30 20 CHED N#Cc1cccc(OCc2cc(Cl)ccc2F)c1 230400478 IXHHELDQWYCCAG-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#CCC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 336477861 MLWRYBDVHAEEOA-ZDUSSCGKSA-N 298.411 3.596 30 20 CHED CC[C@H]1CC[C@H](C(O)=Nc2ccccc2-c2ncc(C)[nH]2)O1 330208069 ASWKXXDSVCVTEO-SWLSCSKDSA-N 299.374 3.931 30 20 CHED CCN(C(=O)c1cnccc1C)c1ccc(C#N)c(Cl)c1 336333584 PJTIYATYZFLOHF-UHFFFAOYSA-N 299.761 3.582 30 20 CHED C=C(CNC(=O)N(C)C[C@@H]1CC=CCC1)c1ccccc1 512671878 HQCFMSWEXFEKDX-MRXNPFEDSA-N 284.403 3.698 30 20 CHED Cc1cc(N2CCC[C@H]2c2cccc(F)c2)cc(C#N)n1 516326498 KWEWEOWZWGGJMC-KRWDZBQOSA-N 281.334 3.742 30 20 CHED Cc1cc(C#N)cc(N2CCC[C@H](c3ccccc3)C2)n1 431477952 PCQQYVVKMLSHOX-KRWDZBQOSA-N 277.371 3.646 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1 145086861 PNVUXQGVXJZSFO-BUHFOSPRSA-N 277.367 3.915 30 20 CHED COC(=O)c1cc(NCc2ccc(C#N)cc2)cc(C)c1C 237187638 WJQUIQJYPRUTTJ-UHFFFAOYSA-N 294.354 3.574 30 20 CHED N#CC1(C(=O)Nc2cccc(-n3cccc3)c2)CCCCC1 332414881 LRYCIKCXRIHVBI-UHFFFAOYSA-N 293.370 3.890 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc3oc(C4CC4)nc3c2)C1 335231184 PEGMTCLOPCTNKO-JQWIXIFHSA-N 267.332 3.809 30 20 CHED C[C@H](/N=C(/O)Nc1ncc(C(C)(C)C)s1)c1ccon1 330841557 ZQSGLCKMPLBGNR-QMMMGPOBSA-N 294.380 3.516 30 20 CHED C[C@@H](Nc1ccc(OC(F)F)nc1)c1cccc(C#N)c1 338779953 XIUHMHQSCHTSJW-SNVBAGLBSA-N 289.285 3.728 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2CC#N)C1 336283144 LPFAQWPCECLRHL-JQWIXIFHSA-N 276.767 3.781 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(C)c(F)c1 432497383 ZUQAINVQCCOBBX-UHFFFAOYSA-N 264.344 3.858 30 20 CHED C=CCC[C@H](NC(=O)COc1ccccc1)c1ccccc1 435279055 OFNNLJMLMRYMMN-SFHVURJKSA-N 295.382 3.889 30 20 CHED CCOc1cccc2cc([C@@H](C)NCC3(C#N)CC3)oc12 348264774 YVFDUJRHDGLVBF-GFCCVEGCSA-N 284.359 3.786 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C1=C(C)CCC1 437284534 KPWMARWUGQZSHQ-UHFFFAOYSA-N 285.387 3.710 30 20 CHED C=CCN(Cc1cccs1)Cc1cnc(C)s1 347295801 CPGULXBYSJNQFL-UHFFFAOYSA-N 264.419 3.701 30 20 CHED CCC[C@@H](C)N(C)Cc1ccc(C#N)cc1OC(F)F 437433070 JCFWGBSRIQVLOU-LLVKDONJSA-N 282.334 3.780 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2ccccc2CC#N)c1 521503075 QEVOSFHTEVXAHE-CQSZACIVSA-N 278.355 3.803 30 20 CHED CCN(Cc1c[nH]c2ccccc12)C(=O)C(C#N)(CC)CC 529129608 NDJISEKRSFFECI-UHFFFAOYSA-N 297.402 3.846 30 20 CHED CCc1oc2ccccc2c1CN1CCC(F)(C#N)CC1 348712101 HOQMLHBMPSYFHN-UHFFFAOYSA-N 286.350 3.823 30 20 CHED CC(C)[C@@H]1CN(C(=O)c2ccccc2CC#N)[C@@H]1C(C)C 601618420 YPORFXWQGZIRMX-DLBZAZTESA-N 284.403 3.505 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCCC2(CCC2)C1 348175761 FGONONNJHSBLJI-CQSZACIVSA-N 254.377 3.885 30 20 CHED C=CCCC[C@H](C)N1CCC(Oc2ccccn2)CC1 340810667 PZPJLRFBLXPSFC-HNNXBMFYSA-N 274.408 3.670 30 20 CHED Cc1ccn(-c2ccc(NCc3ccccc3C#N)cc2)n1 340616854 CNJBWLSLOCYDIB-UHFFFAOYSA-N 288.354 3.665 30 20 CHED S=c1[nH]nc(-c2ccco2)n1N=C/C=C\c1ccccc1 254407718 QNJXJRCFXHNHSH-NWZJMDDBSA-N 296.355 3.748 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc(F)ccc1-c1ccoc1 526077265 QZKALLLCXMULMK-CYBMUJFWSA-N 286.306 3.508 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)c(C)c1O 436533981 ZJEOOXKAOYSKMR-UHFFFAOYSA-N 275.392 3.827 30 20 CHED CCC(C)(C)CC(=O)Nc1scc(C)c1C#N 344916202 BVISUDWWXDVRHT-UHFFFAOYSA-N 250.367 3.693 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(Cl)cn1 343238176 MRGLAYVJBJFFLA-QMMMGPOBSA-N 293.157 3.828 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1CCC(C)(C)C1 602386485 LAPLIMHNWCWETI-ZDUSSCGKSA-N 288.366 3.817 30 20 CHED C=C(CN[C@@H](C)c1cncc(C)c1)c1ccccc1 343856453 JJRLIYJCHSVXPF-HNNXBMFYSA-N 252.361 3.754 30 20 CHED O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccsc1 255359277 KLJFWSNQQBWYOV-DAXSKMNVSA-N 280.352 3.830 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2NC[C@@H](C)CCC#N)cc1 602572762 MMUKELZPELEIEL-SZMVWBNQSA-N 286.419 3.745 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(OC(F)(F)F)cc1 343566385 SCTONBNEVHGUPP-SNVBAGLBSA-N 284.281 3.540 30 20 CHED Cc1ccccc1OCCCN(C)c1ccc(C#N)cc1 603873152 GRIGOCDDUAEVQJ-UHFFFAOYSA-N 280.371 3.772 30 20 CHED COCc1ccc(N[C@@H](C)CCC(F)(F)F)cc1C#N 529645310 RXBWBIHCHJPQEA-JTQLQIEISA-N 286.297 3.848 30 20 CHED N#C[C@@H](Sc1nnc(CCC2CCCCC2)o1)C1CC1 601076911 UICAYKZJTXIVCY-CYBMUJFWSA-N 291.420 3.977 30 20 CHED COc1ccccc1C/N=C\c1cc2ccccc2nc1O 254971682 CYBSLGGQEHXFMT-UNOMPAQXSA-N 292.338 3.568 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 529456633 ORKRRKLSMCVOHG-INIZCTEOSA-N 299.418 3.504 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N(CCC#N)C(C)C 609701702 VWNLWXJUYIQGER-OAHLLOKOSA-N 272.392 3.639 30 20 CHED C=CCCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1C 539796412 TUGBAXADIPMCOB-DYVFJYSZSA-N 257.377 3.783 30 20 CHED N#Cc1csc(CNCC[C@H]2CCc3ccccc32)c1 449381663 ZFHWNSLRUWKNKD-OAHLLOKOSA-N 282.412 3.829 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CC1(C)C)c1ccccc1 535397103 CPLLYMUKEKQFNL-HIFRSBDPSA-N 257.377 3.509 30 20 CHED CC(C)(C)C1=CCN(C(=O)CCc2ccc(C#N)cc2)CC1 535465046 VVHZLDOWCPUFNH-UHFFFAOYSA-N 296.414 3.696 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cccc(Cl)c1 538289603 HYAJNDXTHLEINA-LBPRGKRZSA-N 280.799 3.884 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc2sccc2c1 268482570 JTDJPGXXSXEBLQ-CYBMUJFWSA-N 272.373 3.569 30 20 CHED N#C[C@@H]1CC[C@@H](NC[C@H](c2ccccc2)C(F)(F)F)C1 442842986 RCBBBARUYUHTPL-MRVWCRGKSA-N 282.309 3.614 30 20 CHED COc1ncc(CN(CCC#N)CC(C)(C)C)cc1Cl 532779672 HOWXENDPUBCYKJ-UHFFFAOYSA-N 295.814 3.505 30 20 CHED C=CCSCCNC(=O)N(C)[C@@H](C)C1CCCCC1 446203658 ADQHDOJYRKVJQL-ZDUSSCGKSA-N 284.469 3.516 30 20 CHED C=C(CC)CN(C)[C@H]1CCCN(c2ccccc2)C1 536888615 CWKMNJPXQHHJHC-KRWDZBQOSA-N 258.409 3.553 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2c(F)cccc2F)no1 355818511 DWPPKSUVAUILIU-JTQLQIEISA-N 294.301 3.592 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C1CC(C)(C)C1 352634646 CFFRICZLMZAWPQ-UHFFFAOYSA-N 264.413 3.601 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](CC)Nc1ccccc1 539523109 RTEKUXQXDXVJER-GOEBONIOSA-N 274.408 3.738 30 20 CHED N#Cc1c(F)cccc1N1CC=C(c2ccccc2F)C1 539395213 QXIDYQYNEZTKSY-UHFFFAOYSA-N 282.293 3.740 30 20 CHED C[C@H](CC#N)NC(=O)C(C)(C)c1ccc2ccccc2c1 610239189 HRWYHHMHRJUPRD-CYBMUJFWSA-N 280.371 3.536 30 20 CHED C=CCC1(NC(=O)C[C@H]2C[C@@H](C(C)=O)C2(C)C)CCCC1 619110201 BAEPNYSTVHAFAA-CABCVRRESA-N 291.435 3.633 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1ccc(F)c(C)c1 268009531 JPZZPOCNSBYSAA-CYBMUJFWSA-N 276.355 3.579 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(C)cc(OC)c(C)c1C 352928173 LPYGVBVEHSRSHA-NSHDSACASA-N 276.380 3.707 30 20 CHED CC(C)(C)c1cnc(CNc2ccc(Cl)c(C#N)n2)o1 267261615 WWRSNHLIGYBIAK-UHFFFAOYSA-N 290.754 3.504 30 20 CHED CC[C@H](CC(=O)N[C@@H](C)c1cccc(C#N)c1)C(C)C 610360554 ZETOHAAFSZVUEI-DZGCQCFKSA-N 272.392 3.808 30 20 CHED CCc1ccc([C@@H](C)C(=O)N2CCC[C@](C)(C#N)C2)cc1 612238312 YQNKAIJWSMJGTK-RDTXWAMCSA-N 284.403 3.505 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCO[C@@H](C)CC(C)C)C1 617783362 YVQPTQLBWDXMIV-JKSUJKDBSA-N 281.440 3.642 30 20 CHED CO[C@H]1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1C#N 538131551 KYTACRGGRDAACL-HZMBPMFUSA-N 298.308 3.804 30 20 CHED Cc1cc(C)cc(C[C@H](C)NCc2ccc(C#N)s2)c1 539518161 BTWIOGZDPCWHCR-AWEZNQCLSA-N 284.428 3.957 30 20 CHED Fc1ccc(CON=C2CCC2)c(Br)c1 265448690 KDEJQDBBVFCZEA-UHFFFAOYSA-N 272.117 3.645 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](CC(C)(C)C)C1 457075252 JCUANMCKTSQQKS-XJKSGUPXSA-N 251.414 3.873 30 20 CHED CCO[C@H]1C[C@@H](NCc2ccc(CC#N)cc2)C12CCCC2 450962660 CFMMWPOTRIBFPO-MSOLQXFVSA-N 298.430 3.580 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H](c3cccc(OC)c3)C2)CCC1 456517984 VMHWSSNPPNQNHS-WKILWMFISA-N 299.414 3.804 30 20 CHED C=CCC(CC=C)C(=O)NCc1cc(C)cc(C)c1 618160029 RMYXTFDYXBOMMM-UHFFFAOYSA-N 257.377 3.688 30 20 CHED Cc1ccnc(N2CCc3cc(F)ccc3[C@H]2C)c1C#N 613284294 DPBFTQMMMHFDPR-GFCCVEGCSA-N 281.334 3.525 30 20 CHED C=C(C)CN1CCC(N[C@H](CCC)C(C)(C)C)CC1 453106253 YKNCGHALKJPWCR-MRXNPFEDSA-N 266.473 3.831 30 20 CHED C=CCC(CC=C)C(=O)NC1(Cc2ccc(F)cc2)CC1 456385684 CMFJJVVEXMBSQX-UHFFFAOYSA-N 287.378 3.785 30 20 CHED C[C@@H](NC(=O)NCCC1=CCCCC1)c1cccc(C#N)c1 610335249 GPNMNVBCXUMLET-CQSZACIVSA-N 297.402 3.809 30 20 CHED CC(C)N(Cc1cccs1)C(=O)c1ccc(C#N)s1 362914260 WELBXVYYZRLEHT-UHFFFAOYSA-N 290.413 3.732 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1[C@@H]1CC[C@@H](C#N)C1 278727618 VOFFPAZJLRDPKN-LNCBFAARSA-N 272.367 3.696 30 20 CHED C=CCN(CCCC(C)(C)C#N)CCc1ccco1 272256520 JFJQVXLSZRDNPL-UHFFFAOYSA-N 260.381 3.640 30 20 CHED CC(=O)[C@H](C)SCc1ccc(C#N)cc1Br 272131187 WKOYQLXEDJOQSN-VIFPVBQESA-N 298.205 3.531 30 20 CHED C[C@@H]1CC(C(=O)N(CCC#N)Cc2ccco2)C[C@@H](C)C1 272667202 JGGDKZDCTHJHKN-KBPBESRZSA-N 288.391 3.594 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1Cl 540533149 UYTYZYUPDBRXRJ-OLZOCXBDSA-N 295.810 3.968 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)C[C@H]1c1cccc(OC)c1 364057836 RGGQBLQVLFOJOK-QAPCUYQASA-N 299.414 3.798 30 20 CHED C#CC(C)(C)NC(=O)c1oc2ccc(Cl)cc2c1C 700593629 WSWLZMWNXWPMJW-UHFFFAOYSA-N 275.735 3.536 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC1CCC1 361675430 XIVJCMXSUOQNJR-UHFFFAOYSA-N 284.403 3.733 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cc2ccccc2s1 272467474 ZWKCQTIURABPTP-INIZCTEOSA-N 286.400 3.959 30 20 CHED CC[C@H](CC(F)(F)F)NC(=O)Nc1cccc(C#N)c1C 546223372 JTOUUFNHUCTNAA-LLVKDONJSA-N 299.296 3.719 30 20 CHED C=CCCCc1nc([C@@H](OC)c2ccccc2Cl)no1 273864884 CJVUFIOTDSPZQU-AWEZNQCLSA-N 292.766 3.968 30 20 CHED C=CCCN(C)C(=O)c1ccc(CN(CC)CCC)cc1 276149369 ORVMPAVAMZOKSC-UHFFFAOYSA-N 288.435 3.567 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 455374988 YNALXYSYBVSNOI-ZDUSSCGKSA-N 290.407 3.610 30 20 CHED C=CCC[C@@H](NCC[C@@H](C)N1CCCCC1)C1CC1 544373253 WAKFCBJOKYLLBY-NVXWUHKLSA-N 264.457 3.585 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1 548075524 RSLVVKWCGKPEPZ-IAGOWNOFSA-N 256.393 3.959 30 20 CHED C=CCOc1ccc(Oc2cnc3ccccc3n2)cc1 462933611 VIEPLARJJSTXJG-UHFFFAOYSA-N 278.311 3.987 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 462965842 PAQHJOJBNJFMIM-UHIISALHSA-N 281.346 3.979 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 466981878 XAONHIPBEXVZDR-RRFJBIMHSA-N 264.413 3.563 30 20 CHED C=CC[C@H](CC)NC(=O)CCCc1c[nH]c2ccccc12 281023999 GYAAWGLOWWDUHA-HNNXBMFYSA-N 284.403 3.962 30 20 CHED C[C@H](OCCCNc1cc(C#N)ccn1)c1ccccc1 283690998 YRENNWUTFDLYOZ-AWEZNQCLSA-N 281.359 3.533 30 20 CHED C[C@H](C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)c1cccc(C#N)c1 462197046 DTKOIQFFCHOYHD-JKIFEVAISA-N 298.430 3.993 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1C(C)(C)C1(C)C 468183647 QDZZGDXFSSDRGL-UHFFFAOYSA-N 277.433 3.945 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCO[C@@]2(CCOC2)C1 373368929 IGXYFBCJBWLMLT-ULQDDVLXSA-N 283.456 3.663 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 466090460 YAPKTLVXNNEKME-CABCVRRESA-N 264.413 3.563 30 20 CHED CCCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 282350691 AETJKHRBEPVMPW-OLZOCXBDSA-N 258.365 3.562 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@@H](Cc1ccccc1)C(C)C 557011435 ALDFSWIAZQCHJN-SJLPKXTDSA-N 286.419 3.557 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 282185531 GAGDCAISCFQXEY-GVXVVHGQSA-N 298.308 3.928 30 20 CHED C=Cc1ccc(CCNCc2cccc(C#N)c2)cc1 462903843 DAGVWHXNNRKZQQ-UHFFFAOYSA-N 262.356 3.534 30 20 CHED CC#CCCN1CCCC[C@H]1c1ccc(F)cc1F 462338170 HCPOLDPXWROTEH-INIZCTEOSA-N 263.331 3.905 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)c1ccccc1C 466527673 KAIKARUFXYZMEW-CQSZACIVSA-N 259.393 3.744 30 20 CHED C=C[C@H](C)NC(=O)NCC1(c2ccc(Cl)cc2)CCC1 464755128 GQGWUNCORROZCO-LBPRGKRZSA-N 292.810 3.635 30 20 CHED Cc1cc(N2CCC[C@@H]2/C=C/c2ccccc2)cc(C#N)n1 553185555 ZKMHOHRMTQITNY-QZEKMECESA-N 289.382 3.944 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 283678158 SGMVMJSSFLKMBO-UHFFFAOYSA-N 298.308 3.998 30 20 CHED N#C[C@]1(C(=O)Nc2cc(F)ccc2Cl)CC12CCCC2 298734272 PCSKIITUMJBCBO-HNNXBMFYSA-N 292.741 3.892 30 20 CHED CCc1cccc(C)c1NN=Cc1cc(F)ncc1F 807988311 QQXREQVYYAQMHB-UHFFFAOYSA-N 275.302 3.677 30 20 CHED C=CCOCCCSc1nc(C)c(C)n1CCCC 475993554 GTRUOARPTAIADV-UHFFFAOYSA-N 282.453 3.985 30 20 CHED C=CCOCCCN1CC[C@H](Cc2ccccc2)[C@H]1C 470779809 CRZPKFMBKHNOGG-SJLPKXTDSA-N 273.420 3.532 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@H](C)C(C)(C)C 807991011 HLCPEQCOODMIJC-NSHDSACASA-N 263.341 3.983 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 295076675 IGOWVUGWTNQTDV-ZFWWWQNUSA-N 257.377 3.603 30 20 CHED C=CCN(C(=O)c1cn(C(C)(C)C)nc1C)c1ccccc1 647741873 NLHZZZCQDNLLRK-UHFFFAOYSA-N 297.402 3.779 30 20 CHED CCCc1nnc(S)n1N=Cc1cccc2ccccc12 808008207 RPMMDIXBLJSNDS-UHFFFAOYSA-N 296.399 3.555 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccccc1)[C@@H](C)C1CC1 472774166 PYSBRAOEHDINQZ-MAUKXSAKSA-N 273.420 3.614 30 20 CHED C=CCC[C@H](CC)NC[C@]1(C)OCCc2sccc21 562100916 WRYWQRRKWGKGRA-BBRMVZONSA-N 279.449 3.870 30 20 CHED C=CCC1(C(=O)NCc2ccc(C)cn2)CCCCC1 565029426 QBUCIMGRPBBARG-UHFFFAOYSA-N 272.392 3.533 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)OCCO[C@@H](C)C#N 801840330 LDXLNPXCHAGNFI-GOEBONIOSA-N 295.423 3.701 30 20 CHED C[C@@H]1/C(=C\c2cccc3c2OCCO3)C(=O)c2ccccc21 809158488 ATIIRVXMYMZUEH-JASJWYONSA-N 292.334 3.841 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC 560709872 DEHZZRKPKAHBIW-UONOGXRCSA-N 285.391 3.755 30 20 CHED O=C(/C=C/c1cc(F)ncc1F)c1ccc(Cl)s1 806564684 FZQRUOOCXUGYTJ-OWOJBTEDSA-N 285.702 3.971 30 20 CHED CCCC[C@@H](SCc1cc(C#N)ccc1F)C(=O)OC 475902907 XKCINLNWTMVRPT-CQSZACIVSA-N 295.379 3.662 30 20 CHED C#Cc1ccc(CNc2cccc3c2OCC[C@H]3OC)cc1 809656954 PVEYRNQYWDRELK-GOSISDBHSA-N 293.366 3.750 30 20 CHED c1nc(NN=C2CC[C@H]2C2CC2)c2c3c(sc2n1)CCC3 814725834 DKNUCARTDVTWGC-JTQLQIEISA-N 298.415 3.768 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1ccccc1 488838641 DNEQCYLRZMAXLZ-ZIAGYGMSSA-N 275.417 3.734 30 20 CHED C=CCCC(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 561263954 IKTKZHZVHLELQP-CQSZACIVSA-N 296.292 3.854 30 20 CHED C=C(C)[C@H](NCCC1CC1)c1ccc(F)c(F)c1 481583120 WMIPRFPVXIIAFV-HNNXBMFYSA-N 251.320 3.972 30 20 CHED C=CCC(F)(F)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 815888385 LQFJIIYIZLWESS-JTQLQIEISA-N 297.349 3.881 30 20 CHED Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(C)c1 567088736 VYXREHAZMMFQQM-IBGZPJMESA-N 276.383 3.952 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(SC)ccc1C 488877206 HXNOKSSYZCABRZ-ZDUSSCGKSA-N 275.417 3.898 30 20 CHED C=CCCCCCCCNC(=O)[C@@H](C)c1c(C)n[nH]c1C 811591029 WZKXRQHYZJWDKH-ZDUSSCGKSA-N 291.439 3.773 30 20 CHED C#Cc1ccccc1CC(=O)Oc1c(F)cccc1Cl 813130201 QKKUVRVKVSJAOM-UHFFFAOYSA-N 288.705 3.609 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CCN2 659019166 UUTSKJKZHJJNJZ-UHFFFAOYSA-N 273.380 3.521 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)c(OC)c1C 487894719 HFCMCPKESHCQFM-AWEZNQCLSA-N 288.391 3.884 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N[C@@H](C)C#N 579386630 YRWHUGYCDUCDNI-PEUXKQIOSA-N 276.424 3.647 30 20 CHED CCC1(c2noc(-c3ccccc3OCC#N)n2)CCCC1 810310362 QORCEBGDMHHFNM-UHFFFAOYSA-N 297.358 3.861 30 20 CHED C[C@H]1C[C@@H](C(=O)O)CCC1=NNc1ccc2ccccc2n1 814697471 PTVQEYBXZMUHQO-AAEUAGOBSA-N 297.358 3.524 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@H](OC)C[C@H]1C 811926399 CKHIFTIYGMJAQN-CVEARBPZSA-N 296.455 3.722 30 20 CHED C=C[C@H]1CCCCN1C(=O)C1(Cc2ccccc2F)CC1 488838455 MFKBPHFEIPHCMJ-HNNXBMFYSA-N 287.378 3.716 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@H]4[C@H](C3)C4(C)C)c2c1 488058377 QDNWYATUDRYBHD-GJZGRUSLSA-N 277.371 3.507 30 20 CHED CC(=NNc1ccccc1F)[C@H](C)NC(=O)OC(C)(C)C 811637050 PTOXVXWCQXJMMS-JTQLQIEISA-N 295.358 3.527 30 20 CHED Cc1cc(CN(C)Cc2cc(F)cc(F)c2)ccc1C#N 489034994 GEXTZJXXNXFFNA-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCOc1ccc(F)cc1 488845468 QQCBACBOTSOOCO-HNNXBMFYSA-N 291.366 3.552 30 20 CHED C#CCCCCC(=O)NCCc1ccc(Cl)c(C)c1 812549696 UZMLYIKYTZMYCY-UHFFFAOYSA-N 277.795 3.501 30 20 CHED N#Cc1ccc(/C=C2/Oc3cccc(Cl)c3C2=O)c(F)c1 811697356 JWAHQIUXUBNOTM-VGOFMYFVSA-N 299.688 3.967 30 20 CHED C=CCn1cccc1C(=O)N(CC(C)C)CC(C)(C)C 489973010 RDRKBIFRLOGYNH-UHFFFAOYSA-N 276.424 3.818 30 20 CHED C#C[C@@H](NC(=O)C(C)(CC)CC)c1ccc(Cl)cc1 811949306 UNIXOHCIEJGHQJ-CQSZACIVSA-N 277.795 3.957 30 20 CHED C=C[C@@](C)(CC)c1nc([C@H]2CCOC(C)(C)C2)no1 651440150 BYKXYFYRYWQXJK-NHYWBVRUSA-N 264.369 3.596 30 20 CHED Cc1ccc(Cl)c2ccc(N(C)C[C@@H](C)C#N)nc12 484127342 CIBRXPCNWXMWEO-JTQLQIEISA-N 273.767 3.793 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc2cccc(Cl)c2s1 571286017 HWHGPCJTGTWAKR-AWEZNQCLSA-N 292.791 3.977 30 20 CHED COCCCNN=C(C)Cc1c(Cl)cccc1Cl 814919553 VPIIHALZWOHYRR-UHFFFAOYSA-N 289.206 3.538 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1c(F)cccc1F 815314344 PELUGLXSOYRAOS-MRVPVSSYSA-N 276.229 3.780 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](c1ccnn1C)C(C)C 657985733 HIOGOFNFVRVEDO-ZACQAIPSSA-N 289.467 3.884 30 20 CHED Cc1nnc(NCc2cc(C3CC3)ccc2F)c(C#N)c1C 573654584 XVXVHDGUYRJRFN-UHFFFAOYSA-N 296.349 3.594 30 20 CHED Cc1ncccc1C=NNc1cccc(Br)c1 728778365 CZYCLXMQCUQDJP-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=CCCOC(=O)/C=C\c1ccccc1O[C@@H](C)CC 729888700 DYTTUAAPZUELDL-NYHXXUGCSA-N 274.360 3.996 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 578343588 XVYCHKFQHRSRME-IYXGVVJKSA-N 266.388 3.597 30 20 CHED N#Cc1ccc(CN(C(=O)/C=C/C2CCCC2)C2CC2)cc1 493313415 BCNJOMFTDSUQME-FMIVXFBMSA-N 294.398 3.796 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 826945678 ALWWKYYOJJPMCE-KRWDZBQOSA-N 297.446 3.825 30 20 CHED C#Cc1cnc(N[C@H](C)c2cccc(C3CC3)c2)nc1 828281042 NJHGNHPVXHKXLP-GFCCVEGCSA-N 263.344 3.508 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C1CC1 495181365 QERQTBGMYGMUGG-QZTJIDSGSA-N 298.430 3.758 30 20 CHED C(=NNC1CCCC1)c1ccccc1OC1CCCC1 727651640 JONPMXNZUIMHQF-UHFFFAOYSA-N 272.392 3.874 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)NCC1(C#N)CCC1 822963321 VMIUTUXGFPQRKX-UHFFFAOYSA-N 284.403 3.699 30 20 CHED C=CCC1(NC(=O)NC2CC3(CCC3)C2)CCCC1 665242621 DPRKAWVOGHKNFL-UHFFFAOYSA-N 262.397 3.507 30 20 CHED CCS[C@H]1CC[C@@H](N(C)C(=O)CCCCCC#N)C1 588649743 CFIXSDVMGKCWAF-KGLIPLIRSA-N 282.453 3.593 30 20 CHED CN(C)Cc1ccc(-c2ccc(F)c(CC#N)c2)s1 904858391 HXCJSENRALTJDF-UHFFFAOYSA-N 274.364 3.682 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NOCC1CCC1 824092814 HVDKHNKITUPPFA-UHFFFAOYSA-N 288.391 3.506 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccccc1Cc1ccccc1 491618303 CXDYFMHJHDREEX-OAHLLOKOSA-N 292.382 3.763 30 20 CHED Cn1nccc1C(=O)/C=C\c1cc(Cl)cc(Cl)c1 588594831 BGSFAPSXLZLUNO-IHWYPQMZSA-N 281.142 3.623 30 20 CHED CS[C@H]1CCCC(=NNc2nc3ccccc3[nH]2)C1 901128905 QINZFDKXUJVGEX-NSHDSACASA-N 274.393 3.636 30 20 CHED C=CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccncc1 734516090 TZRGINNMHCGLAI-MRXNPFEDSA-N 297.358 3.529 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1 497937683 VVORWMZQEFXKQO-JKSUJKDBSA-N 287.403 3.660 30 20 CHED C#Cc1cccc(NC(=S)N2CCCC[C@H]2C(C)C)c1 735240613 AYXDGMZGATXZAF-INIZCTEOSA-N 286.444 3.875 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC2CC2)cc1)C(C)C 733635102 ZUVJASAHAQZBOB-UHFFFAOYSA-N 288.391 3.904 30 20 CHED CC[C@@](C)(C=NNc1nccc2sccc12)OC 834942170 MJVJQXXOFCEDBU-ZDUSSCGKSA-N 263.366 3.509 30 20 CHED COc1ccc(C=NNc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 730145214 RJPQBKQADSWLGC-UHFFFAOYSA-N 299.330 3.666 30 20 CHED C=CCC1(C(=O)OCc2nc3ccccc3[nH]2)CCCC1 835084397 LOFFYVRWWLECNY-UHFFFAOYSA-N 284.359 3.743 30 20 CHED CC(C)(C)C#CC(=O)NC(C)(C)c1ccc(Cl)cc1 837391690 PACHEOPVLLATDX-UHFFFAOYSA-N 277.795 3.741 30 20 CHED CCC(=NN[C@@H]1CCc2c(F)cccc21)C1CCOCC1 835021482 WWKSJLQFKULYAE-QGZVFWFLSA-N 290.382 3.595 30 20 CHED C=CC[C@H](NC(=O)c1cc2ccccc2o1)c1ccncc1 734236991 JDXBDJBZIVHZAH-HNNXBMFYSA-N 292.338 3.875 30 20 CHED C#CC(C)(C)NC(=O)/C=C\c1cccc(OC2CCCC2)c1 733976441 DCUMMWMFLOBIKZ-SEYXRHQNSA-N 297.398 3.549 30 20 CHED CCOCCON=C(C)c1c(C)oc2ccccc12 834969972 QXUGXEDOMNMGDW-UHFFFAOYSA-N 261.321 3.518 30 20 CHED C=CC(C)(C)C(=O)Oc1cccc(OCC(F)(F)F)c1 835130828 HNGBFUSOACQOMB-UHFFFAOYSA-N 288.265 3.745 30 20 CHED C[C@H](c1ccc(C(=O)O[C@@H](C#N)C2CC2)cc1)C(F)(F)F 835197117 UWPMBOSITJVEIK-RNCFNFMXSA-N 297.276 3.811 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cn1 902867571 CROXXQLACQZSRZ-UWVGGRQHSA-N 258.287 3.716 30 20 CHED C=C(C)CN(CC)c1nnc([C@H]2CCCS2)n1C1CC1 583759549 NHCJKOHWALMTMV-CYBMUJFWSA-N 292.452 3.584 30 20 CHED Clc1cc(CON=C2CCC2)cc2c1OCCCO2 735489924 KIZUDUKVHRFADZ-UHFFFAOYSA-N 281.739 3.558 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(O)c(OC)c2)s1 731156768 LNTCHFJZRXTDJK-CLFYSBASSA-N 288.368 3.921 30 20 CHED C#CCOc1ccccc1OC(=O)c1ccc(SC)cc1 730509935 OTVAMKKJSSPPKT-UHFFFAOYSA-N 298.363 3.640 30 20 CHED COCC1CCC(=NNCc2cccc3cccnc23)CC1 834941614 QDQKSZMUHKPTAV-UHFFFAOYSA-N 297.402 3.517 30 20 CHED CC(C)(C)CC(=NNc1ccncn1)c1ccccc1 835001841 KIIJFOWJEUGGHY-UHFFFAOYSA-N 268.364 3.729 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H](C)c2ccc(OC)cc2)c1 745625199 UIESZVWRWMJIJN-CQLSMYGBSA-N 299.370 3.980 30 20 CHED COc1ccc(C(C)(C)C)cc1-c1noc(C(C)(C)C#N)n1 592413927 RUOXQLMWKHNDTL-UHFFFAOYSA-N 299.374 3.844 30 20 CHED Cc1c(C(=O)OCC2(CC#N)CC2)oc2c(F)cccc12 744276890 QRSXIEXESRHCNH-UHFFFAOYSA-N 287.290 3.731 30 20 CHED C=C[C@H](C)N[C@H](COC)c1cccc(C(F)(F)F)c1 675933406 DLTNWLYYBDHLNT-GXFFZTMASA-N 273.298 3.557 30 20 CHED COc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1C#N 742367281 PIIKPUMMMJPPQY-WBMJQRKESA-N 296.370 3.573 30 20 CHED C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCCC#N 595516244 RBDDZEGOFVWDNQ-SNVBAGLBSA-N 276.771 3.513 30 20 CHED N#C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)C1CCCCC1 840615895 OWFSUMOHFDGQOH-BBWFWOEESA-N 299.370 3.511 30 20 CHED C=C(C)CCOC(=O)c1cnn(-c2ccccc2C)c1C 744305227 UJLZKSCNJPLDHM-UHFFFAOYSA-N 284.359 3.612 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C(F)F)nc1 593990323 DQYMHHCZHOPBKE-UHFFFAOYSA-N 295.333 3.612 30 20 CHED CCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1C 915177387 RFUQILYBTRKWIF-UHFFFAOYSA-N 290.407 3.783 30 20 CHED C=C(C)CNC(=S)N(C)[C@H]1CCC[C@@H]1c1ccccc1 840847150 LKLFWCVMTLZBQI-CVEARBPZSA-N 288.460 3.705 30 20 CHED C=CCCSCCNC(=O)Nc1ncc(CCC)s1 596820643 MIQMHSBJMGOHLB-UHFFFAOYSA-N 299.465 3.526 30 20 CHED Cc1cccc(Cl)c1CN1CCC[C@H](CC#N)C1 595623461 QFVAUTBAHCBHSX-CYBMUJFWSA-N 262.784 3.774 30 20 CHED CC(C)CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CC1 593958988 OHSULHBBBJVADC-OAHLLOKOSA-N 298.430 3.774 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H]([C@H](C)O)C1 747393735 FHEWGMWPKJFHPP-HOTGVXAUSA-N 298.471 3.539 30 20 CHED CCC[C@H](C)C(CC)=NNc1nc(-c2ccncc2)no1 748248699 KJVLXMKWAVISFH-NSHDSACASA-N 287.367 3.746 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(c1ccc(C#N)cc1)C1CCC1 598881719 GITUQUUEUNAPCM-RHSMWYFYSA-N 282.387 3.880 30 20 CHED CCN(CCOc1ccc(Cl)cc1Cl)[C@@H](C)C#N 595814780 IWRVDMNYZJHMHR-JTQLQIEISA-N 287.190 3.606 30 20 CHED N#CC1(c2nc(Cc3cc4ccccc4o3)no2)CCCC1 590282719 CRNWLJBOXJFISL-UHFFFAOYSA-N 293.326 3.742 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CC[C@H](C)CC1 844475413 VBZNLAQGXLWZEY-MGPQQGTHSA-N 286.375 3.742 30 20 CHED COc1ccc(O)c(/C=N\Cc2cc3ccccc3o2)c1 915978176 BTMJHJPOXWEDJZ-ZDLGFXPLSA-N 281.311 3.766 30 20 CHED CCC[C@H](C)C(CC)=NNc1cccc(C(=O)O)c1 748246035 HQEMDOAMAKFBAT-NSHDSACASA-N 262.353 3.999 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccc(F)c1F)C2 747440655 NRPMCINWNGFVIF-WQLSENKSSA-N 286.277 3.796 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1cc(F)ccc1OC 922619724 IBLZPOQATLPIAR-KRWDZBQOSA-N 298.361 3.947 30 20 CHED CCN(C)C(=O)c1cccc(N[C@H](C)CC(C)(C)C#N)c1 926423841 NDQYEKLCDNQGIO-CYBMUJFWSA-N 287.407 3.519 30 20 CHED C[C@H]1/C(=C\c2cc(C#N)cs2)C(=O)c2c(O)ccc(F)c21 748440146 IMTAYESCSRDHME-UASDCXGESA-N 299.326 3.848 30 20 CHED C#Cc1cccc(NC(=O)c2cnc3ccccc3c2C)c1 748696776 WRVRBNVWHLMWFY-UHFFFAOYSA-N 286.334 3.777 30 20 CHED C/C=C(/C)COC(=O)c1ccc(C(C)(C)C#N)cc1 842846583 PZGTUBOVOAMWIY-XGICHPGQSA-N 257.333 3.611 30 20 CHED CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ncccc1Cl 926614169 HWJDMZPYFPZGQR-SCRDCRAPSA-N 277.799 3.858 30 20 CHED C[C@@H](NN=C1CCc2ccccc21)c1ccccc1 920386180 SUVHHSDRXOYEFL-CYBMUJFWSA-N 250.345 3.688 30 20 CHED C=C(CC)CNc1ccccc1[C@@H](O)C(F)(F)F 758125420 XUNTVDIXJJJBJQ-GFCCVEGCSA-N 259.271 3.660 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1cc(F)cc(Cl)c1 853396479 KGOYQYLQFWIGKX-JTQLQIEISA-N 270.735 3.694 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cccnc1C(F)(F)F 859651674 PMMXBFJBESWUSV-ZDUSSCGKSA-N 287.281 3.746 30 20 CHED Cc1ccc(C=NNc2nc(C(F)(F)F)cs2)cc1 755906399 YIQNIJOPOSZPQS-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CCc1occc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 684674611 XRLCPWMLLIALKZ-CQSZACIVSA-N 290.322 3.880 30 20 CHED C#CCCCCc1nc(-c2ccc(OC(C)(C)C)cn2)no1 752862558 DVYNPYLMGSCHCG-UHFFFAOYSA-N 299.374 3.655 30 20 CHED COc1cc(C)cc2c1OC/C(=C\c1cccc(C)c1)C2=O 920388633 AOAPGWAYVWKBSF-XNTDXEJSSA-N 294.350 3.971 30 20 CHED C=CCC(C)(C)CNC(=O)OCc1cccc(OC)c1 859168704 MWYQCEKANJRLLZ-UHFFFAOYSA-N 277.364 3.524 30 20 CHED C=CCNC(=S)N(CC)Cc1ccc2ccccc2c1 920077248 SMHMVVPVZXSEGQ-UHFFFAOYSA-N 284.428 3.722 30 20 CHED CC(C)(C=NNc1nc2cc(F)c(F)cc2[nH]1)CCC#N 755630819 FZRYYRKIPFNSJW-UHFFFAOYSA-N 291.305 3.569 30 20 CHED CC1(C)CCC/C(=C/c2ccc(C(=O)O)cc2)C1=O 757533652 GJGKHZCGVDKPON-RAXLEYEMSA-N 258.317 3.547 30 20 CHED CSCC1CCC(=NN2CCCC[C@@H]2C)CC1 853382343 YDGPCARLNBFQCO-UEWDXFNNSA-N 254.443 3.770 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(O)c(C)c1 759653919 WZZYHHOTINCKOM-UHFFFAOYSA-N 272.323 3.984 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccc(C)c(C)c1 758577732 OFEFPGVBEFTMHI-QGZVFWFLSA-N 276.376 3.575 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 920386182 SVAXXECWAAXTRP-GFCCVEGCSA-N 283.331 3.670 30 20 CHED COc1ccc(O)c(C(C)=NNc2ccc(F)cc2C)c1 750946460 RJSJKUGMXLAXQP-UHFFFAOYSA-N 288.322 3.684 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc(F)cc1O 757475851 MZQMMTQQWCDJKL-SNAWJCMRSA-N 262.305 3.797 30 20 CHED CCN(CC#N)C(=O)c1sccc1-c1ccc(F)cc1 750803863 OYEIHVUYHICMHC-UHFFFAOYSA-N 288.347 3.540 30 20 CHED C=CCC1(NCc2ccc(OC(C)=O)cc2)CCCCC1 859743628 HOOHFOLANIKCTR-UHFFFAOYSA-N 287.403 3.981 30 20 CHED CC[C@@H]1CC(=NNc2nc3ccccc3s2)CCO1 756816458 UVXXZGUSFVIUBF-LLVKDONJSA-N 275.377 3.653 30 20 CHED C=CC[C@H](N[C@H]1CCCc2scnc21)c1ccncc1 858365658 QAVUQPLUWYWVLZ-KBPBESRZSA-N 285.416 3.823 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(Cl)c2occc12 931299426 DIPRMZIUYWXJRQ-CQSZACIVSA-N 276.723 3.508 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](CCC#N)c1ccccc1 935027962 VLDNLLRUQZWLFK-GOEBONIOSA-N 270.376 3.750 30 20 CHED C=CCCN1CCC[C@H]1c1cncc(Br)c1 932254248 VDSGBAMPNBYOEP-ZDUSSCGKSA-N 281.197 3.557 30 20 CHED CCCCCCCNC(=O)Nc1cccc(NC(C)=O)c1 860330931 OJVRBONTYLAWFP-UHFFFAOYSA-N 291.395 3.737 30 20 CHED N#CC1(OC(=O)c2cc3ccc(F)cc3s2)CCC1 762097741 HFHLEDWAROCCAT-UHFFFAOYSA-N 275.304 3.643 30 20 CHED C#CCCCNC(=O)Nc1ccccc1COC(C)(C)C 932532507 FLNOKHXFIWEKGQ-UHFFFAOYSA-N 288.391 3.537 30 20 CHED C[C@@H]1CSC(S[C@H](C#N)CCc2ccccc2)=N1 865361965 HITJWRVTDNVWAT-YPMHNXCESA-N 276.430 3.736 30 20 CHED Cc1cc(C)c(/C=C/C(=O)OC2(C#N)CCC2)cc1C 762100452 QOALJWBOXPYFJF-AATRIKPKSA-N 269.344 3.615 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNc1ccc(C#N)nn1 767208483 LBPHSUSVURLVLD-JSGCOSHPSA-N 272.396 3.613 30 20 CHED Cc1nc(Cl)cc(NN=C2CC[C@H](C)[C@@H](C)C2)n1 767381411 XDTPYGMZNZULHD-IUCAKERBSA-N 266.776 3.662 30 20 CHED Cc1cc(OC(=O)CCCc2ccccc2)ccc1C#N 765095910 RUUUPMCYIXPDJW-UHFFFAOYSA-N 279.339 3.795 30 20 CHED C=CCCC(=O)COC(=O)C[C@H](C)c1ccccc1C 761402901 RBGJFTLCJPPLLZ-AWEZNQCLSA-N 274.360 3.567 30 20 CHED CC1(C)CCCN(Cc2nc(Cl)ccc2Cl)[C@H]1C#N 769893584 QFRLVUPAGZJHCZ-LBPRGKRZSA-N 298.217 3.903 30 20 CHED N#Cc1cc(Cl)nc(NN=CC2CCCCCC2)c1 768375748 PSUQDQRUJLOBSC-UHFFFAOYSA-N 276.771 3.975 30 20 CHED CCOc1ccc(NC(=O)CC#Cc2ccccc2)c(C)c1 1116269435 ASUQTFXKAODDGB-UHFFFAOYSA-N 293.366 3.774 30 20 CHED Clc1ccc([C@@H]2CCCC2=Nn2cnnc2)cc1Cl 776177684 SZRVKBCNAWTVPM-JTQLQIEISA-N 295.173 3.757 30 20 CHED Fc1cc(C=NNc2cc(Cl)ccn2)cc(F)c1F 777906794 NUPYVZKDDABIRQ-UHFFFAOYSA-N 285.656 3.598 30 20 CHED COc1cc(C(C)=NOC2CCCC2)ccc1OC(F)F 774608547 PEQBAFYHZPNTQM-UHFFFAOYSA-N 299.317 3.980 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)CSCc2ccc(C#N)cc2)C1 779262499 GJIREGSFITWYCZ-IUODEOHRSA-N 289.400 3.523 30 20 CHED C[C@H](C#N)COC(=O)c1ccccc1Oc1ccccc1 770936739 KNKCZLMRFPYIMI-CYBMUJFWSA-N 281.311 3.795 30 20 CHED COc1cccc(/C=N/[C@@H]2CC23CCCCC3)c1O 770566957 BZARRRDSHVFCGU-SWEABUAFSA-N 259.349 3.543 30 20 CHED C#CCCCCCC(=O)N1CCCc2ccccc2C1 779906323 WXNJUZMJZRIRJE-UHFFFAOYSA-N 269.388 3.545 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccc(C)c2F)c1 776197086 ODSGOBDOXOPNPC-UHFFFAOYSA-N 284.359 3.924 30 20 CHED C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N(C)CCCC 1121682353 QBRPLYPJLPXOAA-CYBMUJFWSA-N 294.443 3.577 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(Cl)cc1OC)OCC 772897005 JFGXNNMPOVTSTE-ZDUSSCGKSA-N 297.782 3.658 30 20 CHED C#C[C@H](C)NC(=O)CCCCc1ccc(Cl)c(Cl)c1 772983974 IRBLANABGKPHAP-NSHDSACASA-N 298.213 3.844 30 20 CHED CCCCCCCCNC(=O)Nc1cnn(C(F)F)c1 772474025 YKJUIPHTAPGYGK-UHFFFAOYSA-N 288.342 3.760 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C(F)F)cc1 885577666 JBXKMIIGYJTBPO-SNVBAGLBSA-N 269.291 3.544 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(C#N)ccc1F 888354375 XMWPDAWZYBFONF-NHYWBVRUSA-N 289.354 3.740 30 20 CHED C=C1CCC(C(=O)Nc2cccc3[nH]ccc23)CC1 888688482 GVUDUWWOQRQQII-UHFFFAOYSA-N 254.333 3.853 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C1CCC2(CC1)CC2 1120733229 JFSSVGOPLSRKCG-HNNXBMFYSA-N 261.409 3.914 30 20 CHED C=C(C)CCC(=O)OCc1coc(-c2ccccc2)n1 1121128052 HDBVGVAOJKAQRN-UHFFFAOYSA-N 271.316 3.741 30 20 CHED C(=NNc1cnnc2ccccc12)c1cc2ccccc2[nH]1 788429116 GCTQPEUKCHKHEL-UHFFFAOYSA-N 287.326 3.557 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)[C@H](C#N)c1nccn1CC 1123237252 ZNSYFBBCXGXGAF-GJZGRUSLSA-N 287.407 3.686 30 20 CHED C=CCN(C(=O)c1ccc(OC)cc1OCCC)C(C)C 789619460 XFALUVITGDEZLX-UHFFFAOYSA-N 291.391 3.521 30 20 CHED N#CCc1ccc(CN(CCc2ccccc2)C2CC2)cc1 784141150 RHVPNSYENNCJKE-UHFFFAOYSA-N 290.410 3.960 30 20 CHED CC1(C)CCC[C@H](C=NN[C@H]2CCOC(C)(C)C2)C1 780247573 SSESYQYCRUGTRR-KBPBESRZSA-N 266.429 3.736 30 20 CHED CC1(C)CCC(Sc2ncc([N+](=O)[O-])cc2C#N)CC1 786829788 BBHFYNJSBXESCG-UHFFFAOYSA-N 291.376 3.922 30 20 CHED CCS[C@H](C(=O)OCc1ccc(C#N)c(C)c1)C(C)C 785821880 VSUYUDGHJZICKS-HNNXBMFYSA-N 291.416 3.688 30 20 CHED C=CCC1(O)CCN(C[C@]2(C)C[C@H]2c2ccccc2)CC1 895833653 BYGPVUHEEVKVDB-ROUUACIJSA-N 285.431 3.583 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccc([N+](=O)[O-])cc1 783769734 AEZZYKIJTPPQBO-NWDGAFQWSA-N 261.325 3.819 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)nc1C 788808541 ZHBSUEMRJGMMKK-LLVKDONJSA-N 279.771 3.616 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 786610080 IADYNUKDGHINQM-ZDUSSCGKSA-N 282.727 3.789 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCC(C)(C)C1CCOCC1 897452240 UZFKVQZDSCNITB-ZIAGYGMSSA-N 253.430 3.630 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)[C@H](C)c1ccc(C)cc1C 791068428 UGCZLVIBMDMYCT-CVEARBPZSA-N 286.419 3.808 30 20 CHED CN(C)C1(CNc2ccc(Cl)cc2C#N)CCCCC1 511979763 ZPFDJSBUXGAMLN-UHFFFAOYSA-N 291.826 3.888 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccccc1Br 276261379 BCXVBBPRYNWXRV-LLVKDONJSA-N 281.197 3.573 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc(F)c(Cl)c2)c1 720292584 HWXDGZJMRGKQMJ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCCCCCCCN[C@H]1CCCc2c1cnn2C 59261235 YJRKRISGSAKPQZ-HNNXBMFYSA-N 263.429 3.748 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccccc1)C1CCCC1 593414848 NPDGJNWVALKTBA-XJKSGUPXSA-N 270.376 3.584 30 20 CHED N#Cc1ccccc1SCC[C@@H](O)c1ccccc1 795221610 FAWHTEIQPDZZHE-OAHLLOKOSA-N 269.369 3.774 30 20 CHED C=CCCCCN1CCCC[C@H]1c1noc(C2CC2)n1 649252516 NPWIDICOGRAXIS-AWEZNQCLSA-N 275.396 3.830 30 20 CHED CCCCCCCC(=O)Oc1ccc2oc(=O)oc2c1 799420471 XRWCTTJJLFMOEB-UHFFFAOYSA-N 278.304 3.652 30 20 CHED C=CCCCOC(=O)c1cn2cc(Cl)cc(Cl)c2n1 799590260 GUHLMHUKWDXKNA-UHFFFAOYSA-N 299.157 3.764 30 20 CHED Cc1ccccc1CC(=N)NO[C@@H](C)c1cccc(C#N)c1 794719153 AXDHRIKGKAKFPS-AWEZNQCLSA-N 293.370 3.669 30 20 CHED CC(C)N(C)c1ccc(/C=C2/Oc3ccccc3C2=O)cn1 790220467 UIQFBVMFCVIQMI-MHWRWJLKSA-N 294.354 3.542 30 20 CHED C=CCC(C)(C)C(=O)OCc1ncc(C(C)(C)C)o1 796462725 FAQZKYXHBYOGOW-UHFFFAOYSA-N 265.353 3.618 30 20 CHED Cc1cc(CNC2(C(F)F)CCCC2)ccc1C#N 588934361 SERDSPJBRFODBO-UHFFFAOYSA-N 264.319 3.534 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](OC)C[C@@H]1C 799423990 DTSMZYHHTONHPO-GJZGRUSLSA-N 269.429 3.763 30 20 CHED N#Cc1cc(F)c(N[C@H]2CCC[C@H](F)C2)c(F)c1 591958291 SGUYNFZHUXFDLL-UWVGGRQHSA-N 254.255 3.529 30 20 CHED N#Cc1ccc(F)c(CNC2CCC3(CC2)CC3)c1 695699607 SPJIGXOKFRPTGX-UHFFFAOYSA-N 258.340 3.510 30 20 CHED CC[C@@H]1CCC[C@H]1NCc1ccc(Cl)cc1C#N 1307684717 ULSXCTUMDVEELB-IAQYHMDHSA-N 262.784 3.880 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)c1cccc(F)c1F 1168733590 LOKYOOPCJCLBKK-LBPRGKRZSA-N 286.325 3.730 30 20 CHED N#Cc1ccc(CCNc2ccc(C(F)(F)F)cn2)cc1 1167679002 HJXLLUVDTGFRLK-UHFFFAOYSA-N 291.276 3.627 30 20 CHED CC(C)(C)ON=Cc1cccc(F)c1OC(F)F 1328535906 CMCRTORBQBUQOY-UHFFFAOYSA-N 261.243 3.576 30 20 CHED Cc1ccc(NN=Cc2nccn2C(C)C)cc1Cl 1327657635 DDHHVFGWEGOVTI-UHFFFAOYSA-N 276.771 3.872 30 20 CHED N#Cc1ccc(COC(=O)CC2CCCCC2)s1 1327200069 ZOIBGIBNNNGDQI-UHFFFAOYSA-N 263.362 3.633 30 20 CHED C=C[C@@H](COC)Nc1cnc2cc(Cl)c(Cl)cc2n1 1320295221 WIBFBMLDGHFNFI-QMMMGPOBSA-N 298.173 3.550 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](C)c1cc(C)oc1C)c1ccccc1 1326007843 YBIJGRDOQFLALD-SUMWQHHRSA-N 296.370 3.631 30 20 CHED Cc1nnsc1CSc1ccc(C#N)cc1Cl 1188972017 ZAOFQTZXSDVQOG-UHFFFAOYSA-N 281.793 3.664 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CCC[C@H](C2CC2)C1 1664234788 ZEJNBGJYAHQJIE-LSDHHAIUSA-N 270.376 3.948 30 20 CHED C[C@H]1CC[C@@H](C(=O)N(c2ccccc2C#N)C2CCC2)C1 1331467549 AIIUHBRPVYVONL-UONOGXRCSA-N 282.387 3.880 30 20 CHED C[C@@H](CC#N)N(C)c1ccnc(-c2cccc(Cl)c2)n1 1337354314 AIBBZXOKDOBUGZ-NSHDSACASA-N 286.766 3.535 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(OCOC)cc1 1333067655 UIMRCSPDRJNHIP-ZDUSSCGKSA-N 292.379 3.536 30 20 CHED C[C@H](CCC#N)N1CCC(Nc2ccccc2Cl)CC1 1331329322 BWCBLJJXRLOELP-CYBMUJFWSA-N 291.826 3.909 30 20 CHED C=C(C)CCC(=O)Nc1nc(C2CCC2)cs1 1338964422 NRMDFMYBACWXKI-UHFFFAOYSA-N 250.367 3.705 30 20 CHED C=C(CC)C(=O)NCc1ccccc1OC1CCCC1 1263709185 KCGMMZAKXAUSGK-UHFFFAOYSA-N 273.376 3.590 30 20 CHED CC[C@@H](F)C(=O)Nc1scc(C(C)(C)C)c1C#N 1337462764 KCAWMQCNOCIOLW-SNVBAGLBSA-N 268.357 3.604 30 20 CHED C=CCCc1nnc(Cc2ccc3ccccc3c2)o1 1345860007 CNFCTRUETVNZED-UHFFFAOYSA-N 264.328 3.932 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cnn(C(C)(C)C)c1 1347670541 KMMOHCLKZQEYRE-AWEZNQCLSA-N 290.411 3.601 30 20 CHED N#CC1(c2nnc(-c3cccc4ncccc34)o2)CCCC1 1345878727 YVXKKCYUXLQECB-UHFFFAOYSA-N 290.326 3.620 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H](C)c1cccc(C#N)c1 1344670740 ZUUIGXAMKVCTFC-CYBMUJFWSA-N 290.322 3.656 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1ccc(OC)c(C#N)c1 1288070986 LINSXAQRKMUEHD-MRXNPFEDSA-N 274.364 3.722 30 20 CHED CC(C)C1CCC(NC(=O)c2ccc(C#N)cc2F)CC1 1435489247 XLMCOACQZWDKCB-UHFFFAOYSA-N 288.366 3.642 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)c1ccn(C)c1)c1cccs1 1519364033 HJYXCZRPTUFMJB-RISCZKNCSA-N 288.372 3.534 30 20 CHED C=C(Cl)COC(=O)CCc1ccc(C)c(Cl)c1 806229568 IGIFDEJJXJXJDQ-UHFFFAOYSA-N 273.159 3.877 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2ccc(F)cc2)CC1 1514691410 NOBUHJCYHGVFLY-GFCCVEGCSA-N 261.340 3.749 30 20 CHED CCOc1ccc(NC(=O)c2ccsc2C#N)c(C)c1 1526214399 LWTQVPPFYAIXDX-UHFFFAOYSA-N 286.356 3.579 30 20 CHED CCC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C(C)(C)C 1526013351 WSYNFVBEDXCIPG-CQSZACIVSA-N 276.355 3.642 30 20 CHED 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C#Cc1ccc(CN[C@H](C)c2c(F)cccc2F)cc1 809607498 BMBUDVRMHMLQNH-GFCCVEGCSA-N 271.310 3.797 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](Nc2cc(C#N)cnn2)CC1 1186144706 QJZSKWDLAJIRIS-ZIAGYGMSSA-N 272.396 3.755 30 20 CHED N#Cc1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 20666629 JSWZXNCNODTOIP-UHFFFAOYSA-N 287.706 3.732 30 20 CHED N#CCCCOc1cc(F)c(Br)cc1Cl 308779756 CEFLTBQEFGSPAU-UHFFFAOYSA-N 292.535 3.924 30 20 CHED CC[C@H](NCc1ccc(OCC#N)cc1)c1cccs1 48417011 JJURQADPTWUABO-HNNXBMFYSA-N 286.400 3.891 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)Cc1cc(C#N)ccc1F 55386713 SDZLAQDAAGDSGS-LRDDRELGSA-N 260.356 3.708 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc2cc(F)ccc2s1 193483792 IKOJPHPRWKSCPZ-SNVBAGLBSA-N 290.363 3.662 30 20 CHED CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@@H]2CCC[C@H]21 404103186 XFMQIVASQWCSPU-GDBMZVCRSA-N 272.367 3.708 30 20 CHED N#Cc1ccc(OCCCOCc2ccccc2)cc1F 309856907 FBOYYXHXBVFQRK-UHFFFAOYSA-N 285.318 3.683 30 20 CHED C=CCC1(NCc2nnc(C(C)C)s2)CCCC1 661851409 UMQHWZWXYPCLKC-UHFFFAOYSA-N 265.426 3.640 30 20 CHED N#CCOc1cccc(NCC2CCCCCC2)c1 89558884 IWQOUNGMRXXZOF-UHFFFAOYSA-N 258.365 3.971 30 20 CHED N#Cc1ccc(NCc2nc(C3CC3)cs2)cc1 342440430 QRKFRUHUIMSKCI-UHFFFAOYSA-N 255.346 3.504 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@H](CC)CC(F)(F)F 491636022 WXVOZDRWRVFYED-CQSZACIVSA-N 297.320 3.627 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(Cl)cc1C#N 695683842 DEISSVJKOKYLNZ-SECBINFHSA-N 250.729 3.586 30 20 CHED N#Cc1cc(F)cc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 718618159 MARAZYVWIUDKAE-GNXUOLQESA-N 270.351 3.934 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 398170665 LFJQMMKDNZEPNY-QWHCGFSZSA-N 262.353 3.990 30 20 CHED C=CCCC(=O)N(C)Cc1cccc(C(F)(F)F)c1 102233765 JIFNRUGHXFCAPK-UHFFFAOYSA-N 271.282 3.630 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Cc2ccncc2)cc1 54298594 YRHCARYITLHYBG-UHFFFAOYSA-N 297.427 3.535 30 20 CHED C=CCCC(=O)NC1c2ccccc2Oc2ccccc21 104370182 NAFUQVDCIRRVKW-UHFFFAOYSA-N 279.339 3.964 30 20 CHED C[C@@H](NC(=O)c1sccc1C#N)c1cc2ccccc2o1 52029192 VVPVFJZZBMMUDB-SNVBAGLBSA-N 296.351 3.857 30 20 CHED C=CCn1c(C)nnc1S[C@@H]1CCCc2ccccc21 58986441 CYEGRQFKTGQKAZ-OAHLLOKOSA-N 285.416 3.942 30 20 CHED CCC[C@H]1CCCCN1CCC(=O)Nc1ccccc1C#N 179511485 QBIUGKJTNSSLJZ-INIZCTEOSA-N 299.418 3.541 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H]1C=CCC1 173040540 VSBNYYHWAMPADB-CYBMUJFWSA-N 283.375 3.675 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 116941883 QQLNXRPWDHYSNN-KGLIPLIRSA-N 290.407 3.799 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1NCCCCC#N 178640980 NZPTWXRSJJLDAL-WBMJQRKESA-N 260.356 3.733 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)NC[C@H](C)C#N 172220203 NTGGCANRIBYHOU-UKRRQHHQSA-N 264.413 3.505 30 20 CHED C=CCc1ccc(OC(=O)c2ccccc2C)c(OC)c1 29124517 KJWSWQMJYOLAPU-UHFFFAOYSA-N 282.339 3.951 30 20 CHED CCN(Cc1cccs1)CC(C)(C)CCC#N 179721411 YPIUKRQPZJBZCX-UHFFFAOYSA-N 250.411 3.900 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 175870924 ARPCHQXLPKDDLR-CVEARBPZSA-N 274.433 3.712 30 20 CHED C=C(Cl)COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 917286831 TTWUFDCQKMXCAR-BDAKNGLRSA-N 270.678 3.651 30 20 CHED 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294.398 3.678 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H](C)CCSC 77802534 IGMSJPMLZKSWEP-GFCCVEGCSA-N 298.477 3.587 30 20 CHED C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccs1 182557674 UNYCQSQUZWKYPT-SNVBAGLBSA-N 260.337 3.610 30 20 CHED N#Cc1ccc(N2CCCC3(CCCCC3)C2)cn1 426888658 IXDFJGKLQKRDHQ-UHFFFAOYSA-N 255.365 3.504 30 20 CHED CCOc1ccccc1N(C)Cc1cc(C#N)cs1 188693399 YQYHIJMHULMNFX-UHFFFAOYSA-N 272.373 3.655 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C1=CCCCC1 126064325 GUVLKISXIMTNEX-UHFFFAOYSA-N 282.387 3.797 30 20 CHED Cc1ccc2nc(C)c(C(=O)N[C@@](C)(C#N)C(C)C)cc2c1 122377295 QXVCSZNWSNWTFX-SFHVURJKSA-N 295.386 3.520 30 20 CHED CSc1ccccc1CN(C)Cc1cccc(C#N)c1 358045171 HHUUORCUYNATIO-UHFFFAOYSA-N 282.412 3.912 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2c(Cl)cccc2C1 188440310 XQIBQCQTEMVVBI-MRXNPFEDSA-N 277.795 3.827 30 20 CHED C=C(C)COc1cc(Br)cc(F)c1F 219914423 VKGVAJADZVDRCP-UHFFFAOYSA-N 263.081 3.682 30 20 CHED Cc1ccc(COc2cccc(F)c2C#N)cc1C 155637285 JRLJBDXHOQHHSW-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416692510 TVPFQGLDUNFGMQ-OGHNNQOOSA-N 299.418 3.669 30 20 CHED Cc1cc(F)cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c1 76764481 CEGZKXPCRGTLCF-CYBMUJFWSA-N 293.301 3.501 30 20 CHED C#CCCCCC(=O)Nc1cc(C)c(C)c2ncccc12 120220697 KDHBDIPCIOOOGB-UHFFFAOYSA-N 280.371 3.984 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1ccccc1F 410144658 HZSHZGPNLWYNSH-OLZOCXBDSA-N 263.356 3.790 30 20 CHED N#CCCN(CCC#N)Cc1ccc(-c2ccc(F)cc2)o1 187359865 XRBTVBXVGFCNOH-UHFFFAOYSA-N 297.333 3.715 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@H](c2ccccc2)C1 120733823 MOSMLDWZUUTALX-KRWDZBQOSA-N 292.382 3.556 30 20 CHED CCCCN(CC(F)(F)F)C(=O)Nc1cccc(C#N)c1 76553730 UUMLNEORISGRID-UHFFFAOYSA-N 299.296 3.755 30 20 CHED CN(C(=O)NCCCCC#N)[C@@H]1CCC[C@H]1C(C)(C)C 419452281 GJMDCWVDFJTLFS-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED Cc1cc(Cl)cc(C)c1CN(C)C[C@H](C)C#N 509824995 CDLVRAFJTQXLTD-SNVBAGLBSA-N 250.773 3.548 30 20 CHED C=C[C@H](CC(=O)N(CC1CC1)CC1CC1)c1ccccc1 134930235 XZPYBMNSLJECEY-QGZVFWFLSA-N 283.415 3.995 30 20 CHED C=CC[C@@H](C)N[C@H](c1ccccc1)c1ccc(F)cn1 183771651 MBFLUIIFYBFIPJ-CXAGYDPISA-N 270.351 3.864 30 20 CHED C=CCOCCSCCCc1cccc(OC)c1 419425566 FFTAJMTZAYEORX-UHFFFAOYSA-N 266.406 3.564 30 20 CHED C=CCOc1ccc(CN(CC)C2CC2)cc1Cl 507221935 PTECLBYQOFIGBL-UHFFFAOYSA-N 265.784 3.889 30 20 CHED C=CC[C@@H](CC)NC(=O)CSc1ccc(C)cc1 410137871 YPHYVCRBXMONIR-CYBMUJFWSA-N 263.406 3.558 30 20 CHED COc1ccc([N+](=O)[O-])cc1O[C@@H](C)c1cccc(C#N)c1 194624922 TTYDWGMIRFVYPL-NSHDSACASA-N 298.298 3.615 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Cl)c(C)c1 410142507 LVJRFWLJGOQMDH-LBPRGKRZSA-N 251.757 3.733 30 20 CHED C=C(Br)CNCc1ccc(Cl)c(C)c1 134653158 BHNCOUBMEYFPBN-UHFFFAOYSA-N 274.589 3.647 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)N(CC#N)c1ccccc1 195116949 OEBYYNXTFSEASE-CQSZACIVSA-N 296.345 3.561 30 20 CHED CCCc1nc(CN(CCC#N)Cc2ccco2)cs1 176294988 NCXXPVNXAFFWBR-UHFFFAOYSA-N 289.404 3.604 30 20 CHED N#Cc1ccc(Nc2ccc(OCC(F)(F)F)cc2)nc1 42848405 DXSQKDFBNSHGDH-UHFFFAOYSA-N 293.248 3.638 30 20 CHED 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CHED C#CCCCCNc1cccc(Br)c1C#N 229719341 XIYJCCPXUHWVSY-UHFFFAOYSA-N 277.165 3.536 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)[nH]1 133632931 OCGZFXIAZQCVEU-INIZCTEOSA-N 299.418 3.851 30 20 CHED C=CCCCCCOc1cccc(-c2ncn(C)n2)c1 519520701 RVWCKWFQUTWBPW-UHFFFAOYSA-N 271.364 3.607 30 20 CHED Cc1csc([C@H](C#N)C(=O)C(C)(C)CC(C)C)n1 84692350 DPZCSEDECVBWMM-LLVKDONJSA-N 264.394 3.700 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)s1 336454269 FPRLCNPZRGIIHC-LLVKDONJSA-N 288.397 3.659 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@]12CCC[C@H]1C2 421458045 KRGMLVODMQQHRW-RDJZCZTQSA-N 261.409 3.772 30 20 CHED Cc1cc(Cl)c(C(=O)N2CCC(CC#N)CC2)cc1C 335906114 VZYBVRLSIXOKCY-UHFFFAOYSA-N 290.794 3.723 30 20 CHED CC[C@@H](NC[C@@]1(C)C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 424297175 RACASCVLONSHPR-BRSBDYLESA-N 284.403 3.557 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ncc(-c2ccccn2)s1 424844436 UNQADTOXSLMKQX-UHFFFAOYSA-N 287.388 3.746 30 20 CHED Cc1csc(C(=O)Nc2ccc(C#N)cc2)c1Cl 235965794 XMJHZKVLWSYKLD-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC(C)CCOCCN(C)[C@@H](C)c1cccc(C#N)c1 425533486 KWLRGXNNANRIHW-HNNXBMFYSA-N 274.408 3.614 30 20 CHED CC[C@]1(C)CCN(c2nc(C(C)(C)C)ccc2C#N)C1 613428932 CUIMXDCDAKVBRJ-QGZVFWFLSA-N 271.408 3.877 30 20 CHED N#C[C@@]1(C(=O)Nc2nc3ccccc3s2)CC12CCCC2 333255668 ZIMGFXQHDNUMQH-MRXNPFEDSA-N 297.383 3.709 30 20 CHED CC[C@@H]1CCC[C@H](N/C(O)=N/Cc2sc(C)nc2C)C1 330985438 PYIYKCVCTCXPFU-OLZOCXBDSA-N 295.452 3.732 30 20 CHED N#Cc1csc(CN(Cc2cccc(O)c2)CC2CC2)c1 92670899 PAXKZRPNQHFXGR-UHFFFAOYSA-N 298.411 3.738 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc3oc(C(F)(F)F)nc3c2)C1 334999940 JXVSMVUNTQXKAI-DTWKUNHWSA-N 295.264 3.951 30 20 CHED C[C@@H](Sc1ccccc1)C(=O)N(C)c1ccccc1C#N 337853921 KNSMLGOCHRQMPC-CYBMUJFWSA-N 296.395 3.702 30 20 CHED C[C@@H]1CCC[C@H](CC/N=C(/O)N[C@H](C(=N)O)C(C)(C)C)C1 330709422 RWYKLGQVRGWLMM-JHJVBQTASA-N 297.443 3.656 30 20 CHED CC1(C#N)CCC(NCc2cccc3cccnc23)CC1 336208385 GJMCFNLRVGUVAO-UHFFFAOYSA-N 279.387 3.797 30 20 CHED N#CC1(CCn2ccc(=O)c3ccccc32)CCCCC1 334934473 OVUNGESNBVWHHQ-UHFFFAOYSA-N 280.371 3.866 30 20 CHED CCOc1cccc([C@H](C)/N=C(/O)N[C@@H]2CC[C@H](C)C2)c1 331192471 QJMZYDCPJIFQSF-KCQAQPDRSA-N 290.407 3.839 30 20 CHED N#CCCC/N=C(/O)N1CCC[C@H]1c1cccc(Cl)c1 330851962 QLOCYTAYFYFSBA-AWEZNQCLSA-N 291.782 3.695 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@@H](C#N)C(C)C 343677317 UCSFHNFPTLEQQU-FMKPAKJESA-N 284.403 3.640 30 20 CHED C[C@H](CN(C)Cc1ccc(C#N)cn1)C1CCCCC1 528775415 WXVXMHAZUFGCKL-CQSZACIVSA-N 271.408 3.601 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](Cc1ccccc1)C1CC1 436312984 LAWYYGWWQFYVMF-QRVBRYPASA-N 285.431 3.579 30 20 CHED Fc1ccc(C#CCN2CCS[C@H]3CCCC[C@H]32)cc1 438544936 HACPIGZCNQKYCB-SJORKVTESA-N 289.419 3.537 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC(CC)CC 520560769 MELPPHFAIVOUHG-UHFFFAOYSA-N 280.437 3.882 30 20 CHED C=CCC(C)(C)c1noc(-c2ccncc2Cl)n1 340828836 XKQIMVFQHRTIKF-UHFFFAOYSA-N 263.728 3.639 30 20 CHED C=CC[C@@H](C)NC(=O)NCCc1ccc2ccccc2c1 604900854 RMLNKVATNWKNEW-CQSZACIVSA-N 282.387 3.646 30 20 CHED Cc1ccc(C#N)c(N[C@@H](C)c2c(F)cccc2F)n1 346845934 GVNDSSDXDYSSAI-JTQLQIEISA-N 273.286 3.713 30 20 CHED N#CCN(C(=O)/C=C\SCc1ccco1)c1ccccc1 255366986 FAJSHBUBMODYHD-WQLSENKSSA-N 298.367 3.583 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccc(O)c(F)c1 255513422 QMHPSORHHYEIJV-IWQZZHSRSA-N 278.229 3.706 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cc(C#N)cs1)C2 437159849 MGDQDDOJRRMWGE-RBOXIYTFSA-N 288.416 3.564 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1Cl 602503890 NXYUOGBTQIAJEU-CYBMUJFWSA-N 292.810 3.529 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(OCCCC)c1 522652843 GGKQUGJTXJGNJI-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED C(=NOCc1cc(-c2ccco2)on1)c1cccs1 255843902 WDGNBFGFMKGQDO-UHFFFAOYSA-N 274.301 3.547 30 20 CHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccccc1O 255306418 JZROLQJDPNXUGU-ALCCZGGFSA-N 274.703 3.647 30 20 CHED C=CCCCCNC(=O)c1cc(C)n(C(C)C)c1C 354280921 CYADVHAEMUOXQC-UHFFFAOYSA-N 262.397 3.772 30 20 CHED CCc1ccc([C@@H](N=c2ccc(C#N)c[nH]2)C(C)C)cc1 602371290 KRRSKJRTRJMNGL-SFHVURJKSA-N 279.387 3.747 30 20 CHED Cc1nc2c(NC(=O)C3(C#N)CCCCC3)cccc2o1 601622296 GDXCWTQFFHURFJ-UHFFFAOYSA-N 283.331 3.549 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](OCC)c1ccccc1 606813739 BRMIUDYHJYFMGP-KRWDZBQOSA-N 289.419 3.969 30 20 CHED COc1c(F)cc(F)cc1NCc1ccc(C#N)c(C)c1 443993142 ZQNIZJUWSFVJIF-UHFFFAOYSA-N 288.297 3.766 30 20 CHED CC[C@H](C)n1ncc(NCc2ccc(C#N)s2)c1C 359808994 WFIQGBVDWAZADX-JTQLQIEISA-N 274.393 3.708 30 20 CHED C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccccc1C#N 531833465 XEYIJFNSYSDHGE-GFCCVEGCSA-N 298.336 3.956 30 20 CHED CN(C(=O)c1cc(C#N)c[nH]1)C1CCC(C(C)(C)C)CC1 267131462 VUWOYSYTGHDWOA-UHFFFAOYSA-N 287.407 3.563 30 20 CHED N#CCC[C@@H](C#N)CN1CC[C@@H]1c1ccc(Cl)cc1 267168916 HNVZPSAVMARHJA-SWLSCSKDSA-N 273.767 3.530 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CC[C@H](C)C[C@@H](C)C1 351113861 IQZITOIRHKYZQQ-UONOGXRCSA-N 288.439 3.604 30 20 CHED Cc1ccc2c(Cl)c(C(=O)NCCCC#N)sc2c1 612060915 GHRHHZDCSJJMSS-UHFFFAOYSA-N 292.791 3.897 30 20 CHED CC1(C)CCCN(Cc2cccc(O)c2Cl)[C@H]1C#N 353222620 UNPMQMKRENXOQQ-ZDUSSCGKSA-N 278.783 3.560 30 20 CHED N#CCCCCSCc1ccn(-c2cccc(F)c2)n1 610797976 QHEDCMJNCHKYFG-UHFFFAOYSA-N 289.379 3.938 30 20 CHED N#Cc1ccc(N2CCC(OC3CCCC3)CC2)c(F)c1 263691356 JVXVQDHSVYNCHZ-UHFFFAOYSA-N 288.366 3.625 30 20 CHED N#Cc1nc(N2CCCC23CCCCC3)ccc1Cl 536156118 ZGPXTMAYVPLRJA-UHFFFAOYSA-N 275.783 3.910 30 20 CHED Cc1cscc1-c1noc(-c2cc(C#N)cs2)n1 445636410 MKESROUVUYGJOL-UHFFFAOYSA-N 273.342 3.707 30 20 CHED C=CCC1(C(=O)N2CCC3(CCCC3)CC2)CCC1 359520018 XDSYZNRGTLDFSU-UHFFFAOYSA-N 261.409 3.916 30 20 CHED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC(C)(C)C#N 613540362 NFBWMNMYZKPEIK-NSHDSACASA-N 284.325 3.776 30 20 CHED CC(C)Sc1ccc(CN(C)C[C@@H](C)C#N)cc1 358072619 YLJAETOOIANUFN-ZDUSSCGKSA-N 262.422 3.779 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc2nc[nH]c2c1 539838769 YTGJYNDYLXGOQX-UHFFFAOYSA-N 284.407 3.715 30 20 CHED C[C@H](N=c1ccc2cc(C#N)ccc2[nH]1)c1ccsc1 619745893 OCLOCVOXJIWMEX-NSHDSACASA-N 279.368 3.763 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCC1 264576498 WNNNALVTCSSVAZ-NSHDSACASA-N 289.404 3.612 30 20 CHED C=CCCOCCNCc1cc(OC)c2ccccc2c1 449208919 QDTNWYYHEIEKSJ-UHFFFAOYSA-N 285.387 3.531 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(F)c2C)C1 617777902 ZIDPZKKUUQIACO-ZDUSSCGKSA-N 261.340 3.562 30 20 CHED C=CCC1(NC(=O)[C@@H](C)Oc2cccc(F)c2)CCCC1 619115206 WZUUIQQMQOTJMB-CYBMUJFWSA-N 291.366 3.598 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@]1(C)C[C@@H]1c1ccccc1 356481582 UHNSICVHANOGLV-IEBWSBKVSA-N 290.366 3.543 30 20 CHED Cc1cccc(CCNC2CCC(C)(C#N)CC2)c1 449113606 WNOMZWVKQJWCLB-UHFFFAOYSA-N 256.393 3.600 30 20 CHED C=CCC1(NC(=O)c2csc(C)c2C)CCCC1 619110634 HQYKQUKEWAHXEA-UHFFFAOYSA-N 263.406 3.984 30 20 CHED N#Cc1ccc(F)cc1CN1CCC=C(c2ccco2)C1 352571690 XXULSAPXINBNAX-UHFFFAOYSA-N 282.318 3.580 30 20 CHED Cc1oc(C#N)cc1C(=O)NCCc1ccc(C(C)C)cc1 619546631 PEYGLKRBACJLOI-UHFFFAOYSA-N 296.370 3.556 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/C2CC(F)(F)C2)cc1 263277073 QWGRAIUWPBGVST-SNVBAGLBSA-N 281.350 3.724 30 20 CHED CC1CCC(N(C)C(=O)c2ccc(Cl)c(C#N)c2)CC1 538683883 GDNLFWYITLPKQR-UHFFFAOYSA-N 290.794 3.862 30 20 CHED CC[C@H](C)c1ccc(NC(=O)Cn2cc(C)c(C#N)c2)cc1 532906482 GEPGXDSIQDABIX-ZDUSSCGKSA-N 295.386 3.820 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNCC(C)(C)CCC#N 360772894 OQGSJTOMCGMVSY-ILXRZTDVSA-N 250.430 3.978 30 20 CHED C=CCCc1noc(C[C@@H]2C[C@H]2c2ccccc2)n1 453241829 WRUBOSPSOBBGHP-KBPBESRZSA-N 254.333 3.534 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(CCSC)cc1 276044533 GLPLCZSJNRNWTI-UHFFFAOYSA-N 278.421 3.632 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)c1cc2ccccc2o1 452774245 KOZMWFNGTLRKKW-GFCCVEGCSA-N 271.360 3.865 30 20 CHED C=C(C)[C@H](CC(=O)Nc1sc(CCC)nc1C)OCC 362461051 QOGQAOLIQRCSIF-LBPRGKRZSA-N 296.436 3.714 30 20 CHED Cc1cc(Cl)c(C(=O)N2CCC[C@@](C)(C#N)C2)cc1C 612244614 FJPLACHPWZFBBB-INIZCTEOSA-N 290.794 3.723 30 20 CHED CCC[C@H](C)N(C)C(=O)Nc1cc(C)cc(C#N)c1 456011653 VATYGOUCBOSJHC-LBPRGKRZSA-N 259.353 3.519 30 20 CHED Cc1c(C#N)c(N2CC[C@@H](C3CC3)C2)nc2ccccc12 450414799 YPOFSALMPWIVSC-CQSZACIVSA-N 277.371 3.651 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)CCc1ccc(C#N)cc1 457235895 BNVZMLDMIRJGMR-KSSFIOAISA-N 284.403 3.576 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 270209434 FZOIGVPVBHVFMK-WBVHZDCISA-N 282.387 3.547 30 20 CHED N#Cc1cc(N[C@@H]2CCc3ccc(F)cc32)ccc1[N+](=O)[O-] 546622355 UDRBMFMWBDFPAC-OAHLLOKOSA-N 297.289 3.705 30 20 CHED C=CCn1c(C)cc(C(=O)CN(C)[C@@H](C)CCC)c1C 362229398 QWIPGTNIGWTKJT-ZDUSSCGKSA-N 276.424 3.594 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](C)c1cccc(F)c1F 454729778 FUIHKRFGGSQKPT-SNVBAGLBSA-N 282.334 3.537 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)NCC(C)(C)CC#N)cc1 457994090 NTUORBNRWQLMAH-ZDUSSCGKSA-N 288.391 3.534 30 20 CHED CC(C)[C@H]1CN(C(=O)NCCCCC#N)c2ccccc21 278166122 FGAPKNIIOTVQNM-OAHLLOKOSA-N 285.391 3.650 30 20 CHED C=CCN(Cc1cnc(C2CC2)o1)Cc1ccccc1F 628153074 ZEOMVSDFYJIFLM-UHFFFAOYSA-N 286.350 3.879 30 20 CHED C=CCCOCC(=O)Nc1ccccc1C(C)(C)C 620326353 KSECBEJKWZVSMW-UHFFFAOYSA-N 261.365 3.515 30 20 CHED C=CCN(C(=O)Nc1cccc(OCCC)c1)C1CC1 271317615 BIJDAOIRVBBSOL-UHFFFAOYSA-N 274.364 3.658 30 20 CHED C=C[C@@H]1OCC[C@H]1Nc1ccnc2c(Cl)cccc12 450752774 DKIQKXLNVSXKKM-KGLIPLIRSA-N 274.751 3.644 30 20 CHED CC[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1 278158557 AUFLRLVETVNZIH-CVEARBPZSA-N 272.392 3.557 30 20 CHED N#CCc1ccc(CN2CC[C@H](Cc3ccccc3)C2)cc1 542277342 OAVDZWKCTKFDQC-HXUWFJFHSA-N 290.410 3.817 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C)CC2(C)C)c1 455961863 ACIDSAACFKAWIM-LBPRGKRZSA-N 271.364 3.519 30 20 CHED Cc1ccc(C(C)(C)C(=O)Nc2cccc(CC#N)c2)cc1 456726190 HGHVSEFKNYBMKX-UHFFFAOYSA-N 292.382 3.977 30 20 CHED CC(C)CN(CCC(C)(C)C#N)Cc1ccc(C#N)cc1 540667710 JDDXRUDHLOPVGS-UHFFFAOYSA-N 283.419 3.956 30 20 CHED C=CCC1(NC(=O)c2c(F)cccc2F)CCCC1 622959071 IXPZTBQFVNBWNU-UHFFFAOYSA-N 265.303 3.584 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2cccc(F)c2[C@@H]1C 545258052 GGISXLRGZHSQDL-GXTWGEPZSA-N 290.382 3.809 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N[C@@](C)(C#N)C(C)(C)C 274313527 IQRGSDODLNDZJF-KDOFPFPSSA-N 286.419 3.933 30 20 CHED Cc1ccccc1N(CCCSCC#N)C(C)C 467192490 VHSGYMWUVRBCHI-UHFFFAOYSA-N 262.422 3.857 30 20 CHED CCN(CC)CCCC1CCN(CCC(C)(C)C#N)CC1 541091127 ZTLYAUDYHSFVAC-UHFFFAOYSA-N 293.499 3.760 30 20 CHED CC#CCCN(CCC)[C@H](C)c1ccccc1OC 462323083 RZIAAEGQSBWTLZ-OAHLLOKOSA-N 259.393 3.882 30 20 CHED C=CCCN(C)Cc1c(C(=O)OC)sc2ccccc12 467299953 OJSUBYDNRWEHLD-UHFFFAOYSA-N 289.400 3.696 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C)C[C@@H]1CC 460374542 LNRYKOYGCIDKTP-HIFRSBDPSA-N 288.439 3.747 30 20 CHED C=CC[C@H]1N(C(=O)Cc2cccnc2C)CCCC1(C)C 287121690 PPYUQPSPVVVRLA-MRXNPFEDSA-N 286.419 3.526 30 20 CHED C=CCCN(C)C(=O)NCCCCCOC1CCCCC1 467013698 OSSCMYMZMSQDEU-UHFFFAOYSA-N 296.455 3.724 30 20 CHED C=CCC[C@@H](NCCc1cn2c(n1)CCCC2)c1ccco1 373698133 CXDKDCBUTIKPDY-MRXNPFEDSA-N 299.418 3.652 30 20 CHED C=CCCN(C)C(=O)C1(c2ccccc2F)CCCC1 468178873 JQCATCBRIVOHTK-UHFFFAOYSA-N 275.367 3.672 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 463037782 NPYDGIIZUFBCCU-HOTGVXAUSA-N 293.451 3.787 30 20 CHED C=CCC1(NC2CCc3ccccc3CC2)CCOCC1 634985909 GKBJTCIGXPFMLL-UHFFFAOYSA-N 285.431 3.649 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@](C)(C#N)CC 285621041 YATYPHSIXAMXNT-GOEBONIOSA-N 292.810 3.717 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccc(C#N)cc21 476450269 ALPZRZMNOXUQIQ-ZBFHGGJFSA-N 282.387 3.664 30 20 CHED C=CCCCCNC(=O)Nc1cccc(N2CCCC2)c1 473666214 WVVLEAARHGWEMP-UHFFFAOYSA-N 287.407 3.765 30 20 CHED C=CC[C@H]1N(C(=O)COC2CCCCC2)CCCC1(C)C 470272241 FWQUKMGTZCDNOE-MRXNPFEDSA-N 293.451 3.929 30 20 CHED C=C[C@@H](Cc1nc(CCCCOC)no1)c1ccccc1 558571571 OWUVWSCNPJEEHI-AWEZNQCLSA-N 286.375 3.551 30 20 CHED C[C@@H](NCCCC#N)c1ccc(Oc2ccccc2)cn1 296572071 VDZLPPOFZHCNGL-CQSZACIVSA-N 281.359 3.828 30 20 CHED C#CC[C@H](NC(=O)N1CC(C)(C)[C@H]1C1CC1)c1ccccc1 292800228 CTXJIPZKORVHCZ-DLBZAZTESA-N 296.414 3.581 30 20 CHED C#CCCCCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1 291116504 CQFWIPUFFFITSA-UHFFFAOYSA-N 295.386 3.621 30 20 CHED C=C(C)CCOC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 803406210 VLPDUSPXMWKATC-UHFFFAOYSA-N 277.364 3.772 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 295753772 OIJFNIDHFJVLIX-JFIYKMOQSA-N 284.403 3.626 30 20 CHED C=CCCCCCCNC(=O)CCc1csc(C)n1 805218504 BOKKPIQTOYHVQN-UHFFFAOYSA-N 280.437 3.637 30 20 CHED C=CCN1CCC(NC[C@@H](c2ccccc2)C(C)C)CC1 474706761 HUVIFKHITUOSDJ-LJQANCHMSA-N 286.463 3.666 30 20 CHED C=CCC1(C(=O)NC2CCC(O)(CC)CC2)CCCCC1 649299956 IUFBINSZVIBQTH-UHFFFAOYSA-N 293.451 3.713 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccccc1OC(F)F 299696321 OKRPTLPPHHLCRM-MNOVXSKESA-N 268.307 3.631 30 20 CHED N#CCCCN[C@@H](CCc1ccccc1)c1ccccc1O 294101452 JKGPZSLBXAKXTA-SFHVURJKSA-N 294.398 3.959 30 20 CHED N#Cc1ccc(CNC[C@@H]2C[C@H]2c2ccccc2)c(F)c1 292942424 HYYXOEGNZTZBFQ-IRXDYDNUSA-N 280.346 3.591 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1cccc2ccccc12 472744757 CYXCPIXDAWJJJV-QGZVFWFLSA-N 269.388 3.599 30 20 CHED C#Cc1ccc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 809587184 MVCQXBJUINPTIQ-KDOFPFPSSA-N 297.423 3.691 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)CCc1ccsc1 297922407 YGEHVURLYBTTON-UHFFFAOYSA-N 296.395 3.532 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@H]1CC[C@H](C)C1 807989638 OQFKHSYJTWFFMU-JQWIXIFHSA-N 261.325 3.737 30 20 CHED N#CC[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 700845079 KGBPBCTXXFNOKO-PODYEWJSSA-N 288.778 3.505 30 20 CHED Cc1cc(NC[C@H]2CCCO[C@H]2C(C)(C)C)cc(C#N)n1 561226651 FSPCQGXMIQGRCT-CZUORRHYSA-N 287.407 3.515 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc2ccncc12 569478509 MIPREDMILNTLMG-UHFFFAOYSA-N 254.333 3.776 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](C)C2(CCC2)C1 472844141 BXJFFUAMDBAHPS-CQSZACIVSA-N 264.413 3.564 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1cnc2ccc(F)cc2c1 801023710 RYYZUIAFRDBDHT-INIZCTEOSA-N 273.307 3.882 30 20 CHED C=CCOCCN(Cc1ccco1)Cc1cccs1 293508165 ODINVQIGJAPMEW-UHFFFAOYSA-N 277.389 3.546 30 20 CHED Cc1cc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc(C)c1O 806579441 HKOUWJAUARSQSO-GHXNOFRVSA-N 299.757 3.880 30 20 CHED C#Cc1ccccc1CC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 809987325 YDHZVOPFVHKGLN-XLIONFOSSA-N 295.426 3.638 30 20 CHED CC1(C)CN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccs1 809290486 RFZHIQMLKWZXMK-QGZVFWFLSA-N 295.407 3.709 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCS[C@H]2C)CCCCC1 648677669 RYNKSXODOVCILA-QWHCGFSZSA-N 267.438 3.523 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1O 811699781 ZKDHSPWAWZLAAB-XBXARRHUSA-N 288.730 3.950 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1cnc(C2CCCCC2)s1 648745276 AKPHRLAENJNFKL-CABCVRRESA-N 292.448 3.624 30 20 CHED CCC[C@](C)(CC)C(=O)N1CCC(CCC#N)CC1 569243536 BRHBKFRNMABGHH-INIZCTEOSA-N 264.413 3.745 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](CC)c1cccs1 488971599 DNDMADHENQKDAZ-LBPRGKRZSA-N 274.389 3.617 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccc(C#N)cc1 814803303 PDHPKEQLYYXBBB-CQSZACIVSA-N 266.348 3.676 30 20 CHED C=CCN(C(=O)NC[C@H]1CCCCC(F)(F)C1)C(C)C 813760775 DIUBUAHKDVUSPZ-ZDUSSCGKSA-N 288.382 3.808 30 20 CHED C=CCN(CCC(C)(C)CC(=O)O)Cc1ccccc1 565662742 KRSCQTUMFLYWCB-UHFFFAOYSA-N 275.392 3.566 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc[nH]c2CCC)c1 817526133 AUBFKVNMTHDXON-UHFFFAOYSA-N 280.371 3.615 30 20 CHED C#Cc1cccc(N(CC)C(=O)C2(F)CCCCC2)c1 811891406 BIYHMRCQYIRTBH-UHFFFAOYSA-N 273.351 3.693 30 20 CHED Cc1c(C=NN[C@H](C)C(C)(C)C)n(C)c2ccccc12 814937282 AVFYMZXYZXORGJ-CYBMUJFWSA-N 271.408 3.845 30 20 CHED C#Cc1ccccc1CC(=O)N1CC[C@@H](C)c2ccccc21 812910881 GBRQUAMUUYHJHW-OAHLLOKOSA-N 289.378 3.751 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCc1ccc(C)s1 488872965 BMIJJABHFRWXCW-CQSZACIVSA-N 277.433 3.946 30 20 CHED C=CCCCCCCCNC(=O)N(C)C[C@H]1CCCOC1 811927885 SEZYDXMYAYTHRV-MRXNPFEDSA-N 296.455 3.581 30 20 CHED C=CCCCCCCCNC(=O)c1cccnc1S 811590214 SWIZHMSQKUHJAW-UHFFFAOYSA-N 278.421 3.627 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC[C@H](C#N)CCC#N)CC1 578642439 HARXXCLWICQXSQ-ARFHVFGLSA-N 261.413 3.624 30 20 CHED CCOc1ccc(NN=Cc2cccc(COC)c2)cc1 814985543 KERBUHGXYSVSKG-UHFFFAOYSA-N 284.359 3.678 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNC[C@@H]1CCSC1 811662102 CHNDIISZCBYZFJ-RWMBFGLXSA-N 254.443 3.531 30 20 CHED Cc1cc2c(cc1C)C(=NNc1cc(Cl)ccn1)CO2 814897766 DLOVJHJLZIIVGT-UHFFFAOYSA-N 287.750 3.560 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C)cc1OCCC 815064392 PUULAAPCHXGTMV-UHFFFAOYSA-N 283.318 3.934 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccc(C#N)s1 486611434 QNNWBDDUUKFIIV-NSHDSACASA-N 264.394 3.566 30 20 CHED N#Cc1csc(/C=C/c2nc3cc(C(=O)O)ccc3o2)c1 485975468 JUWTYUMDCUCQDK-DUXPYHPUSA-N 296.307 3.630 30 20 CHED C[C@@H](CN(C)Cc1ccc(F)cc1C#N)c1ccccc1 489647746 KDVCMAAQIDQPOD-AWEZNQCLSA-N 282.362 3.933 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)c(F)c1 811686031 LGMPDTTZGHKSJS-VMPITWQZSA-N 299.276 3.741 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNCCc1ccccc1F 814875681 RPWGIDQHTNLHTA-CQSZACIVSA-N 287.382 3.664 30 20 CHED CCCCC[C@H]1CCCN1C(=O)c1ccc(C#N)s1 489346207 HLOXSNKLPWNBCG-LBPRGKRZSA-N 276.405 3.805 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Br)c(C)cc1C 486344842 PNYVJMDPMLWHHL-JTQLQIEISA-N 297.196 3.762 30 20 CHED Cc1ccc([C@H]2CCCCN2Cc2cc(C#N)n(C)c2)cc1 483260254 PAIWWGFTVSFSGQ-LJQANCHMSA-N 293.414 3.932 30 20 CHED C=C(C)[C@@H](NCCOCCCC)c1ccc(F)c(F)c1 481596255 IRNFCHUGWPVZLR-MRXNPFEDSA-N 283.362 3.988 30 20 CHED C#CCCOc1ccc(CNCC(C)(C)CC=C)cc1 815142729 YECSRJZNPKVWLZ-UHFFFAOYSA-N 271.404 3.781 30 20 CHED C=CCCO[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1CC 482827490 NFAJKGITLHXOIA-GOEBONIOSA-N 287.403 3.726 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(C3CC3)cc2Cl)o1 816217042 JJRIVBUDHHUQEJ-UHFFFAOYSA-N 287.702 3.901 30 20 CHED COc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(C)c1 577169143 OXZOKUJHLUVDSW-LJQANCHMSA-N 292.382 3.652 30 20 CHED Cc1cccc(C(=O)Nc2cc(C#N)c3ccccc3n2)c1 577658019 RXGNAXCBAKQUEO-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnc2ccccc2c1C 488879020 KXMJFNMAUAJBOF-CQSZACIVSA-N 280.371 3.724 30 20 CHED N#C[C@@H]1CC[C@H](S[C@@H]2CCc3ccccc3C2)C1 577651593 LHKHFWNFEKQTIM-UHOFOFEASA-N 257.402 3.969 30 20 CHED COc1ccc(CCC(C)=NNC2CCCC2)cc1 727652771 YSEZKFXPWHMCEZ-UHFFFAOYSA-N 260.381 3.536 30 20 CHED C=C(CNCc1ccc(OCC)cc1O)c1ccccc1 725848883 AYPSOTHHMFSOQM-UHFFFAOYSA-N 283.371 3.594 30 20 CHED CC(C)C#CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 820954660 FNWLLBCYVAQXLX-HNNXBMFYSA-N 275.779 3.663 30 20 CHED CC(C)(C)c1ccc(C(C)(C)C(=O)NCC2(C#N)CC2)cc1 576811516 CMPSCRHIFXCIEO-UHFFFAOYSA-N 298.430 3.682 30 20 CHED Cc1csc(NC(=O)N2CCC(C)(C)CC2)c1C#N 574336151 JTRDHOZPAKJKBB-UHFFFAOYSA-N 277.393 3.582 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ncc(CC)s1 666207695 ZMTSTGJAELDNFY-UHFFFAOYSA-N 267.398 3.572 30 20 CHED COc1ccccc1/C=C/CN1CCCC(C)(C)[C@@H]1C#N 579795458 JMBMSCNKUHXGTJ-NADMHLTPSA-N 284.403 3.723 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H]1CCCc2nc(C)sc21 820062662 DSOBRNPZTGBPEQ-GFCCVEGCSA-N 279.405 3.974 30 20 CHED C=CCn1c(C(C)C)nnc1N(CC1CCC1)CC1CC1 571724213 ZZQJCALPAWLFDX-UHFFFAOYSA-N 288.439 3.604 30 20 CHED CC(C)(C#N)c1ccccc1CNc1cccc(C(=O)O)c1 826080627 BPRNQFBRWQIHTQ-UHFFFAOYSA-N 294.354 3.798 30 20 CHED C=CCCC(=O)OCC(=O)c1cc(C)c(C)c(C)c1C 726654948 IMFLXRRFHNQMPJ-UHFFFAOYSA-N 274.360 3.612 30 20 CHED C#C[C@@H](NC1CCC(COC)CC1)c1ccc(Cl)cc1 824416339 MTEYDQXNRBOITH-QWFMPGPPSA-N 291.822 3.809 30 20 CHED C[C@H]1Cc2cc(NCCCC(C)(C)C#N)ccc2O1 901448079 QPMMTEQHPQHEEQ-LBPRGKRZSA-N 258.365 3.752 30 20 CHED CO[C@@H]1CCC[C@H](C(=O)OCCCCC2(C#N)CCC2)C1 909343046 HFAVTGWDFRXFMO-LSDHHAIUSA-N 293.407 3.599 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1csc(CC)n1 495027414 SENQHFLMJXMDHZ-VXGBXAGGSA-N 293.436 3.517 30 20 CHED CCCSCC(C)=NNc1ccc(Cl)nc1 901194686 NBXVHCZMOSIPRD-UHFFFAOYSA-N 257.790 3.666 30 20 CHED CCc1nocc1/C=C/C(=O)c1cc(C)ccc1C 834407747 DKLRVXHGJWZZRC-BQYQJAHWSA-N 255.317 3.750 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)OCC(C)(C)CCC#N 835386386 JJIDZMSCMGVQDF-SWLSCSKDSA-N 251.370 3.686 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 664333466 OSYDPZXGKPNKTM-LLVKDONJSA-N 280.318 3.785 30 20 CHED O=C(/C=C\c1cc(Cl)cs1)c1ccc(O)cc1O 588601347 SWLXDQJYNANHNK-RQOWECAXSA-N 280.732 3.709 30 20 CHED C#Cc1cccc(CNC(=O)N(CC)C2CCCCC2)c1 838722252 BOBWDPJTTFQYEI-UHFFFAOYSA-N 284.403 3.532 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2CCc3cccnc32)CCC1 909397722 VJQBNJIUAMYTKI-OAHLLOKOSA-N 298.386 3.519 30 20 CHED C=C(CC)CN1C[C@@H](c2ccccc2C)OC[C@H]1C 583338185 DSKZHFNZBRNVAZ-WBVHZDCISA-N 259.393 3.723 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1cccc(C)c1 730147969 LQNGDJIHZCFTHX-UHFFFAOYSA-N 275.355 3.801 30 20 CHED CC(C)(CC(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 839048807 OKBNXBNLIVICCV-GOEBONIOSA-N 285.387 3.980 30 20 CHED C=C(Cl)CN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 732413155 PKNIEWUZMPGSFL-NFAWXSAZSA-N 265.784 3.589 30 20 CHED CC(C)C(=NNCCN1CCCCC1)C1CCCCC1 733901421 ODHGYJRVABOTCP-UHFFFAOYSA-N 279.472 3.654 30 20 CHED Cc1cc(Cl)cc(/C=C/C(=O)c2c(C)nn(C)c2C)c1 834421614 RVKVAMYRZPTQBG-AATRIKPKSA-N 288.778 3.895 30 20 CHED Cc1cc(F)c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1F 839056367 UEQPJSXKOOFYNE-GHMZBOCLSA-N 279.286 3.512 30 20 CHED CCc1ncsc1C(=O)OCCCCC1(C#N)CCC1 909092814 RLSGCBFKEOHKSM-UHFFFAOYSA-N 292.404 3.726 30 20 CHED C=C(Cl)CNC(=O)NCCc1ccc(C(C)(C)C)cc1 736403505 VQXKYGBQKQVPBK-UHFFFAOYSA-N 294.826 3.578 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H](OC(C)(C)C)c1ccccc1 839037162 NOWYHPMRPUVIJR-HOCLYGCPSA-N 288.387 3.888 30 20 CHED C=CCC[C@H](N[C@@H](C)CC(C)(C)c1ccccc1)C(=O)O 901690659 RSPSCUQYILFFIU-HOCLYGCPSA-N 289.419 3.752 30 20 CHED C=C[C@@H](CC)Cc1nc(COCc2ccccc2)no1 903996823 JWEJNSMAAZAVIH-ZDUSSCGKSA-N 272.348 3.541 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC(C)(C)CC1 588887598 NFWHDIMAJWMXRZ-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C=CCC1(C(=O)OCCc2ncccc2C)CCCC1 835577136 JPQHAWNLEUINIB-UHFFFAOYSA-N 273.376 3.612 30 20 CHED C=C(C)CCc1noc(-c2cc(F)c(C)cc2F)n1 671670850 XYWWFSKIJWLKIE-UHFFFAOYSA-N 264.275 3.832 30 20 CHED C=CCc1cc(OCC)cc(CN(CC=C)C(C)C)c1O 919942000 YCGKFQGWDHCFPD-UHFFFAOYSA-N 289.419 3.916 30 20 CHED CC(=O)c1cccc(CSCC2(CC#N)CC2)c1 596360297 LTFFNYMTXQIZFG-UHFFFAOYSA-N 259.374 3.816 30 20 CHED CC(C)c1ccccc1NC(=O)N1CCC[C@@H](CC#N)C1 596446134 GXBJGELOMDYJOI-AWEZNQCLSA-N 285.391 3.968 30 20 CHED C#CCC[C@H](C)OC(=O)c1cc(F)c(Cl)cc1F 839043660 UGFSIZVBCLTGHG-QMMMGPOBSA-N 272.678 3.577 30 20 CHED C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C(C)C 914683238 MDWWRSVIYWTYIW-UHFFFAOYSA-N 285.309 3.671 30 20 CHED CCCCCCCCCNC(=O)N1CCO[C@@H](CC)C1 916194344 UZMCGHMLFQBDLG-HNNXBMFYSA-N 284.444 3.557 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 839038065 BGGPCIRAUBAULB-MVWJERBFSA-N 296.288 3.553 30 20 CHED C=CCNC(=S)Nc1ccc(SC)c(Cl)c1 747672624 LETJWEIMUPRWKG-UHFFFAOYSA-N 272.826 3.534 30 20 CHED CCc1ccc(N(CC)CCCSCC#N)cc1 745984439 UFVFWOSJQOAACY-UHFFFAOYSA-N 262.422 3.722 30 20 CHED CSC[C@@H](C)COC(=O)C[C@H](CC#N)c1ccccc1 835682547 MLRKXTBNVZDQSW-ZFWWWQNUSA-N 291.416 3.616 30 20 CHED CCCOc1cc(C)ccc1NC(=O)C#Cc1ccccc1 747361563 SDTRDLBWMCAQET-UHFFFAOYSA-N 293.366 3.774 30 20 CHED COC[C@@H](CC(C)(C)C)N[C@H](C)c1cccc(C#N)c1 593603749 YASYEYWLMFISOC-CZUORRHYSA-N 274.408 3.660 30 20 CHED Cc1ccc(C#N)nc1N1CC[C@@H](c2ccccc2)[C@H]1C 596154463 JSUBJDJBNVLDGZ-RHSMWYFYSA-N 277.371 3.644 30 20 CHED Cc1nc(SCC(=O)c2cccc(C#N)c2)sc1C 747770284 WWZSFEGFGDNSEX-UHFFFAOYSA-N 288.397 3.607 30 20 CHED C=C(Cl)COC(=O)CCCOc1ccc(OCC)cc1 916616748 NNLDAFCJTIWRER-UHFFFAOYSA-N 298.766 3.540 30 20 CHED CCC[C@H](C(=O)N[C@@H](C#N)C(C)C)c1cccc(Cl)c1 599412427 PDFLFZHSMSPIME-GJZGRUSLSA-N 292.810 3.888 30 20 CHED C[C@@H](CO)N(C)N=C1CCC[C@@H](c2cccc(Cl)c2)C1 842537652 DKLBPUIXXDTBIX-GXTWGEPZSA-N 294.826 3.666 30 20 CHED CC#CCOC(=O)C[C@H](C)c1ccc(C(C)C)cc1 745068838 OEOXNSVZVAJIQC-AWEZNQCLSA-N 258.361 3.870 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)[C@H](C)C#N 598559755 ZBUHHZNRVKTVFL-KGLIPLIRSA-N 252.402 3.601 30 20 CHED N#Cc1ccc(NC(=O)NC2(C3CCC3)CC2)c(Cl)c1 593171680 QBDIHQNVOAUAOD-UHFFFAOYSA-N 289.766 3.666 30 20 CHED C=C(C)CCOC(=O)c1c(Cl)c2ccccc2n1C 744303654 NEDQDJRJTZCMRR-UHFFFAOYSA-N 277.751 3.955 30 20 CHED C[C@H](c1ccccc1F)N(C)CCc1ccc(C#N)cc1 595298188 PZFNSOLJSNGDIZ-CQSZACIVSA-N 282.362 3.933 30 20 CHED CC[C@@H](OCCN(CC)C[C@@H](C)C#N)c1ccccc1 593001823 KGGGRMXNFNCIET-DOTOQJQBSA-N 274.408 3.636 30 20 CHED CCC1(NC(=O)CC2(C#N)CCCCC2)CCCC1 597718115 XRAFPVFDVQASFS-UHFFFAOYSA-N 262.397 3.690 30 20 CHED CCC[C@H]1SCCN1C(=O)CC1(C#N)CCCCC1 597255622 XCPJVINYRIVMKG-CQSZACIVSA-N 280.437 3.552 30 20 CHED CC(F)(F)c1ccccc1NCC1(CC#N)CC1 594704827 OUZIISGRSVTTCS-UHFFFAOYSA-N 250.292 3.904 30 20 CHED Cc1nc(C=NNc2cccc(Cl)c2)cs1 916269242 ABNSHIXNJXVMDV-UHFFFAOYSA-N 251.742 3.551 30 20 CHED Cc1nc2scc(C3CC3)n2c1C=NOCC(C)C 749630848 BJKBUYFWXDGRSR-UHFFFAOYSA-N 277.393 3.588 30 20 CHED CSc1cc(C)c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)o1 597258615 QEUHYMLCZQMWDG-BONVTDFDSA-N 292.404 3.512 30 20 CHED C=CCN(C(=O)[C@H](SC)c1ccccc1)C(C)C 841045450 VSKQJZIUTZFOKL-CQSZACIVSA-N 263.406 3.514 30 20 CHED CCCCCCCCN1CCC(NC(=O)CCC)CC1 740874776 HZODDMSVZMMENY-UHFFFAOYSA-N 282.472 3.728 30 20 CHED C=C[C@@H](C)ONC(=O)c1ccc(Cl)cc1SCC 846549438 NQAYQOXMARIORE-SECBINFHSA-N 285.796 3.688 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C(CC)(CC)c1ccccc1 594098822 WRPSOVWLPGRGQP-HNNXBMFYSA-N 272.392 3.505 30 20 CHED COc1ccc(C)cc1CNC1CCC(C)(C#N)CC1 590643587 CTVCGVGLGSVXDY-UHFFFAOYSA-N 272.392 3.566 30 20 CHED CCCC(CCc1ccccc1)=NNc1nc(C)cc(O)n1 740759905 CVUQKIWXDUQUTE-UHFFFAOYSA-N 298.390 3.691 30 20 CHED COc1ccccc1[C@H]1CCN([C@@H](C#N)c2ccccc2)C1 595327017 BSJBQKSXALYPAC-WMZOPIPTSA-N 292.382 3.749 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1cccc(Cl)c1 920730790 ILFVYSJLHWQJQE-NSHDSACASA-N 268.740 3.537 30 20 CHED C=C(Cl)CNc1cc([N+](=O)[O-])ccc1NC(C)C 849317091 RDFCXAOOOFPZRH-UHFFFAOYSA-N 269.732 3.580 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@@H]1CCC(C)=C(C)C1 842682594 FXORAZRWYFNPOP-CQSZACIVSA-N 285.343 3.609 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)CCc2cc(O)ccc21 748998612 RJKLOUHDFHARAV-GHXNOFRVSA-N 285.730 3.653 30 20 CHED C#CCOc1ccccc1CNC[C@@H](C)Cc1cccs1 742375747 UZWUMKKVZGLGHQ-HNNXBMFYSA-N 299.439 3.729 30 20 CHED C=CCC1(C(=O)Nc2nc(Cl)c(C#N)s2)CCCC1 841224114 UTEIHAKKHOZNQD-UHFFFAOYSA-N 295.795 3.743 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@@H]2CCCC[C@H]2C)n1 920788484 CZQZJLYWIKRVTP-KGYLQXTDSA-N 276.405 3.844 30 20 CHED C=C(C)[C@H](Cc1nc([C@H]2CCc3ccccc32)no1)OCC 680746135 IRAHCUBECVMRJX-HOTGVXAUSA-N 298.386 3.671 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)s1 849243892 OVJBZUFWMDBMEE-AATRIKPKSA-N 272.373 3.559 30 20 CHED C=CCCCN(CC(C)C)C[C@@H](O)c1ccc(F)cc1 741791310 PBMRRBDIPCBYHF-QGZVFWFLSA-N 279.399 3.783 30 20 CHED C[C@@H]1C[C@H]1C=NOCc1ccc(C(F)(F)F)cc1 746577153 OOBGRLYVNGIEHG-KOLCDFICSA-N 257.255 3.864 30 20 CHED C=CCC[C@H](CCC)NC[C@@H](c1ccnn1C)C(C)C 682643170 JWWUIGBNEMLRCJ-JKSUJKDBSA-N 277.456 3.884 30 20 CHED Cc1cc(C)nc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 929366764 FNAADZGYODAHQJ-UHFFFAOYSA-N 291.398 3.735 30 20 CHED C=CCC[C@H](N[C@@H](C)c1cn(C)cn1)c1ccccc1 925579949 OVGZCNQAXCNKHP-HOCLYGCPSA-N 269.392 3.778 30 20 CHED Fc1cccc(NN=Cc2ccc3ncccc3c2)c1 920384166 QLPWJSVSUHJFMU-UHFFFAOYSA-N 265.291 3.820 30 20 CHED C=CCN(C(=O)CN(CC)c1ccccc1)c1ccccc1 753610823 PBCXVEHSIQNINX-UHFFFAOYSA-N 294.398 3.732 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)c1 752876183 WWWKQLISLSBUFM-DAXSKMNVSA-N 296.257 3.502 30 20 CHED C=C(Br)COC(=O)c1c[nH]c2cc(C)ccc12 920607817 VVNLCMAXJWWHKE-UHFFFAOYSA-N 294.148 3.542 30 20 CHED Cc1cc(CCCC(=O)OCCCCC#N)c(C)s1 753409126 PHJBRPYRZUMZGE-UHFFFAOYSA-N 279.405 3.925 30 20 CHED C=C[C@H](CC)CC(=O)NCCc1ccc(OC(F)F)cc1 929405261 SHDHKJDZXGRJHR-GFCCVEGCSA-N 297.345 3.549 30 20 CHED CC(C)c1ncc(CNc2ccc(OCC#N)cc2)s1 1332395572 GQTVZEBVCWFUGT-UHFFFAOYSA-N 287.388 3.781 30 20 CHED FC(F)(F)[C@H]1CCC[C@@H](C=NNC2CCCC2)C1 853301512 GCTPRQLRNXDKGX-MNOVXSKESA-N 262.319 3.873 30 20 CHED CCCC(=NNc1ncccc1[N+](=O)[O-])c1ccccc1 759201258 LETGMMXWMZQHLP-UHFFFAOYSA-N 284.319 3.606 30 20 CHED Cc1ccc(-c2cccc(C=NNCC(F)F)c2)cc1 757583727 FXRYRZPBRBGNMQ-UHFFFAOYSA-N 274.314 3.851 30 20 CHED CCc1ccc(C(=O)/C=C2\COc3ccc(F)cc32)o1 752238777 WMJIRFVHELSEEW-JXMROGBWSA-N 272.275 3.640 30 20 CHED Cc1cc(F)cc(C(=O)OCc2ccc(F)c(C#N)c2)c1 758955461 SDRQUBMJAXVELP-UHFFFAOYSA-N 287.265 3.502 30 20 CHED c1ccc(C(C[C@@H]2CCOC2)=NOCC2CCC2)cc1 853439792 QSUHGNIUHUMXTI-HNNXBMFYSA-N 273.376 3.634 30 20 CHED CCOc1cc(CN[C@H](C)CC(C)(C)C#N)ccc1OC 925067560 OQDXLFMAGYXJLD-CYBMUJFWSA-N 290.407 3.512 30 20 CHED C/C(=C/C(=O)N[C@]1(C#N)CCC[C@H](C)C1)c1cccs1 857599503 PFFGEBVYPCKJQS-PQEKSWJGSA-N 288.416 3.740 30 20 CHED C[C@H]1CN([C@H](C#N)c2ccccc2)Cc2ccccc21 851720219 DEONLYJKPKNCCW-KBXCAEBGSA-N 262.356 3.871 30 20 CHED Cc1cc(O)c(CN(C2CC2)[C@H](C)C#N)cc1C(C)C 853549014 XRZDFRJEXZFPCC-CYBMUJFWSA-N 272.392 3.701 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N(CCC#N)C(C)C 755820145 HUIOVQUJTRSTJA-ACCUITESSA-N 290.794 3.894 30 20 CHED C=CCCCOC(=O)c1scnc1C1CCCC1 759757836 NNUMUDWCFAVWLO-UHFFFAOYSA-N 265.378 3.924 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H](C)C(C)(C)C)c1 754028670 BHGVAKCTPFOCIG-NSHDSACASA-N 258.365 3.855 30 20 CHED C=CCN(C(=O)[C@H]1CCO[C@H](C(C)C)C1)c1ccccc1 936033730 JFFWAKGHLQLYPY-RDJZCZTQSA-N 287.403 3.657 30 20 CHED C=CCc1cc(CN(C)[C@@H](C)C(C)(C)C)c(O)c(OC)c1 754724267 SNXFUCOMVWNWFW-ZDUSSCGKSA-N 291.435 3.996 30 20 CHED Cc1cc(C)c(C#N)c(SCSC(C)C)n1 863224111 UJTBNSMNHIKQJO-UHFFFAOYSA-N 252.408 3.761 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H]1CCOc2cc(F)ccc21 860661173 BCHFDHPLOYNGHN-ZDUSSCGKSA-N 291.322 3.522 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cccc(Cl)c1 860453999 PRIWZMZVWWJNGL-UHFFFAOYSA-N 251.713 3.575 30 20 CHED C=C(C)CCN1CCC[C@@H]1c1cncc(Br)c1 932250569 YHCPSLXHFMFTSO-CQSZACIVSA-N 295.224 3.947 30 20 CHED Cc1c(C#N)cccc1NC(=S)N[C@H]1CCCC[C@H]1C 769794774 HCBRLRDIIYNHRL-RISCZKNCSA-N 287.432 3.732 30 20 CHED C#CCN(C(=O)c1oc2c(C)ccc(C)c2c1C)C1CC1 763799988 HSWOIKFPRXXXIN-UHFFFAOYSA-N 281.355 3.596 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)N1CC(C)(C#N)C1 935773726 SWYQQIBGVXNNQU-UHFFFAOYSA-N 290.366 3.648 30 20 CHED C=C1CCN(C(=O)Nc2cccc(Cl)c2F)CC1 864252626 CKVYBXUMBALRDU-UHFFFAOYSA-N 268.719 3.663 30 20 CHED CCCCCCC[S@@](=O)Cc1sc(C)nc1C 764465186 WUQFMVIJZPVLAC-QGZVFWFLSA-N 273.467 3.979 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnn([C@@H](C)CC)c1C 935623144 QJGHKYDBFYQTOO-WCQYABFASA-N 263.385 3.703 30 20 CHED Cc1cccc(NC(=S)NN=C2CC(C(F)F)C2)c1C 766009561 MBEHWJKJHBVPBL-UHFFFAOYSA-N 297.374 3.621 30 20 CHED Fc1ccc(C=NNCc2ccc(Cl)cc2)cc1F 764719099 SRQWWKHAIGGHRB-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)CC(F)(F)F)cc1 766480493 WQHRXMXUHGKABM-LBPRGKRZSA-N 285.309 3.519 30 20 CHED C#Cc1cccc(NC(=S)NCc2c(C)cccc2C)c1 764513242 JGWVKYUMVWIMQN-UHFFFAOYSA-N 294.423 3.771 30 20 CHED O=C(CC#Cc1ccccc1)NCC1CCCCCCC1 1116271129 FDKRCBVIJMAUSC-UHFFFAOYSA-N 283.415 3.905 30 20 CHED Cc1ccccc1COC(=O)NCC1CCC(C#N)CC1 1118814158 ACDNDJDIASPTIE-UHFFFAOYSA-N 286.375 3.551 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CC12CCC2 874780778 OBJBKHPXDMVOTP-CQSZACIVSA-N 273.401 3.637 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cccc(Br)c1O 775152507 NHZDXKUMDSEOTM-MNOVXSKESA-N 298.224 3.845 30 20 CHED C=CC[C@@H](C(=O)OC/C=C/Cl)c1ccccc1 778419041 PRAASDFYYKTMLS-BCRSCGJKSA-N 250.725 3.642 30 20 CHED C#C[C@H](N[C@H](C)c1oc2ccccc2c1C)[C@H]1CCCO1 775571713 JXANAXDMDYHARL-UKPHBRMFSA-N 283.371 3.573 30 20 CHED CCCCCCCCC(=O)N1CCOC[C@@]1(C)CC 770883861 UAGSAFVDJSQQFI-MRXNPFEDSA-N 269.429 3.765 30 20 CHED N#Cc1csc(C(=O)O[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 771010719 RJLHPDZHUKZBJP-JHJVBQTASA-N 275.373 3.745 30 20 CHED C=C[C@H](C)NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 879136862 OOSUFWMYHMLVLB-JTQLQIEISA-N 285.309 3.674 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C(F)(F)F)ccn1 879421667 JWOLIRPTWAKCFN-UHFFFAOYSA-N 272.270 3.641 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1cnc(C2CC2)s1 773125106 MZRIUPKLYKUSFS-CYBMUJFWSA-N 277.437 3.913 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(O)cc2OC)s1 1115821196 APNILNYVYGHVQL-YVMONPNESA-N 288.368 3.921 30 20 CHED Cc1ccc(COC(=O)c2ccc(C#N)c(Cl)c2)s1 777733564 DNRYGBSHIDRPSS-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(O)cs2)CCCC1(C)C 774534621 IMCDKSAKPQHDKW-ZDUSSCGKSA-N 279.405 3.661 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(OC2CCC2)cc1 776392550 ZUECFHSBZDUZRY-UHFFFAOYSA-N 287.359 3.715 30 20 CHED O=[N+]([O-])c1ccccc1/C=C\C=NOC1CCCC1 774596700 KAQOFAGVKRWSOO-PQMNQAAHSA-N 260.293 3.553 30 20 CHED C[C@@H]1CC(=NN=c2cc[nH]cc2)C[C@H](c2ccccc2)C1 779808092 CJXOXJBNRQMTLF-GOEBONIOSA-N 279.387 3.875 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCCCc1ccsc1 782678818 JRMREWVCDYUTLL-BQYQJAHWSA-N 297.379 3.809 30 20 CHED CC(=O)c1ccc(C#N)cc1NCC(C)(C)c1ccncc1 1120829853 IMTWDXYDQZXCCY-UHFFFAOYSA-N 293.370 3.546 30 20 CHED CCON=C1CCCc2c(Br)cccc21 782900667 PKEAVWAUDSYFRY-UHFFFAOYSA-N 268.154 3.526 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CC[C@H]1CC1(Cl)Cl 1121246682 WLPCWFWWAVTFDJ-RYUDHWBXSA-N 290.234 3.918 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(N(CC)CC)cc1 785533869 FYGPOHXJVPARAK-GOSISDBHSA-N 288.435 3.751 30 20 CHED CCCCCCCOc1cc2c(cc1C=O)OCO2 105505375 NNSZWNFQBGWLOK-UHFFFAOYSA-N 264.321 3.577 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc2ccccc2c1 788034368 QGTXINIEOQANEI-CQSZACIVSA-N 269.344 3.617 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1cc(C#N)ccc1F 891447594 BQDIKGBFPQPCQR-JTQLQIEISA-N 280.368 3.558 30 20 CHED C=Cc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)cc1 785630960 PJDXSQLHAYPGQY-INIZCTEOSA-N 269.344 3.959 30 20 CHED Fc1cc(NN=C2CCCCc3ccccc32)ccn1 781128244 SXHQPMSGBASABZ-UHFFFAOYSA-N 269.323 3.763 30 20 CHED COc1cc2ccccc2cc1CN1CCC[C@@H](C#N)C1 896501568 ATHLEHLMUUUSPN-AWEZNQCLSA-N 280.371 3.584 30 20 CHED CC(C)(C)CCNN=Cc1c[nH]c2ccc(F)cc12 782908189 QYCBRRHGHWLVFK-UHFFFAOYSA-N 261.344 3.667 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2ccsc2Cl)c1 790171620 YMGIKUXXMQUISU-UHFFFAOYSA-N 297.170 3.768 30 20 CHED CSCc1ccc(C/N=C\c2ccccc2O)cc1 794677756 YIWHALVFACJDSR-BOPFTXTBSA-N 271.385 3.874 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCC(F)(F)C2)n1 796748256 RBYJSAUKASNCFP-VHSXEESVSA-N 298.358 3.878 30 20 CHED Cc1cc2cc(C/N=C/c3ccccc3O)ccc2[nH]1 794689238 RHOCUQGHGQKLOY-WOJGMQOQSA-N 264.328 3.801 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(Br)c1 398287630 VTCZFNARMHVGMZ-NSHDSACASA-N 296.208 3.924 30 20 CHED CCSc1cccc(C/N=C/c2cccc(O)c2O)c1 793667724 KPWRWHBPPJGMBI-GZTJUZNOSA-N 287.384 3.829 30 20 CHED FC(F)(F)CCNN=C1CCc2cc(Cl)ccc21 794547175 FISTUSCVHSBKDE-UHFFFAOYSA-N 276.689 3.532 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C(/C)c1ccc(F)cc1 798550959 JOGRVKJCBIFGLO-QYMJWVLRSA-N 261.340 3.700 30 20 CHED CCN(C(=O)Cc1cccc(C#N)c1)c1cccc(C)c1F 1132802868 YMQHZMXVZASBSS-UHFFFAOYSA-N 296.345 3.601 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2CCC(F)(F)C2)cc1 797715977 XFORAFBVGOVLDY-ZDUSSCGKSA-N 292.329 3.677 30 20 CHED CC(C)C[C@@H](C)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 799174406 NYAQBDNKFWCXQT-AZZDOICSSA-N 297.464 3.701 30 20 CHED Cc1cc(Cl)ccc1CN1CCC[C@@H](CC#N)C1 595621648 XCRBWHLPCLCTIY-ZDUSSCGKSA-N 262.784 3.774 30 20 CHED COc1ccccc1CON=C(C)c1cc(C)ccc1OC 799118607 NBZUWHUHDKBHEY-UHFFFAOYSA-N 299.370 3.953 30 20 CHED C=C(CC)CN1CCC[C@@H](c2nc3ccccc3o2)C1 678624573 DFPHLZXXIMOWFW-CQSZACIVSA-N 270.376 3.973 30 20 CHED COCCCON=C1CCCSc2ccc(Cl)cc21 795049137 XPXAVKQXBFRULC-UHFFFAOYSA-N 299.823 3.983 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2ccccc2)cc1C#N 799297506 NXVZTKVDKKARRN-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED N#Cc1cc(OCC2CCC2)ccc1C(F)(F)F 589269449 ZTKJYOCJUPQTJJ-UHFFFAOYSA-N 255.239 3.756 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(C(F)(F)F)n1 799225548 JHSBUYNIDXSUSR-VIFPVBQESA-N 287.285 3.577 30 20 CHED COc1ccc([C@@H]2C[C@H]2Nc2ccc(C#N)cc2F)cc1 795258029 HPZDJFYKVPTADH-WMLDXEAASA-N 282.318 3.674 30 20 CHED Cc1ccc(C=NN[C@@H](C)C(C)(C)C)c(-c2ccnn2C)c1 793115319 QYWGIDVVWJMSMZ-AWEZNQCLSA-N 298.434 3.754 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cc(N2CCOCC2)ccc1C 797587307 IDCPWTVFFPVDET-GDBMZVCRSA-N 288.435 3.844 30 20 CHED Cc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1F 799292831 BIFPDJTVNQMFJJ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C#C[C@H](NC(=O)N(C)Cc1cccc2ccccc12)C(C)C 798552492 PKEFFPUNGAXNFP-SFHVURJKSA-N 294.398 3.639 30 20 CHED CC[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 83640150 JTNYVWMQXANBPD-DGCLKSJQSA-N 273.336 3.847 30 20 CHED COc1cc(N[C@H](C)CC(C)(C)C#N)ccc1F 695785270 AOHNAOSYZCBPSV-SNVBAGLBSA-N 250.317 3.575 30 20 CHED C#CCCCOC(=O)c1ccc(F)c2ccccc12 796367787 UQDWJBJFJLDMJD-UHFFFAOYSA-N 256.276 3.549 30 20 CHED Cc1cc(C)c(/C=C\CN(C)[C@H](C)CC#N)cc1C 1308589674 RADDFPZYXAXAKZ-MWWKQMNYSA-N 256.393 3.859 30 20 CHED Cc1cc(C#N)c(=O)n(Cc2c(C)c(C)c(C)c(C)c2C)c1 1166344407 ANMHSOVFRHXXEY-UHFFFAOYSA-N 294.398 3.619 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1occc1C(=O)O 1609248284 JTCJESTYDOJSSR-UHFFFAOYSA-N 285.343 3.556 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)c(C)n1 1320095621 USPZUXPMPYTGTF-CQSZACIVSA-N 281.359 3.774 30 20 CHED Cn1cc(CSc2cccc(C#N)c2)c(C(F)F)n1 1320330704 XRSSWPNOLTUJMJ-UHFFFAOYSA-N 279.315 3.522 30 20 CHED CCCC[C@](C)(F)C(=O)OCCCC1(C#N)CCOCC1 1327178281 PFKUQMSKRNXNNH-HNNXBMFYSA-N 299.386 3.549 30 20 CHED CC(CCCc1cccnc1)=NNCc1ccc(F)cc1 1324602923 ZZKXBYVFUQFBAD-UHFFFAOYSA-N 285.366 3.709 30 20 CHED COc1cccc(O)c1/C=N\Cc1cccc(Cl)c1F 1322126087 WNDALBSTVDHQTO-NVMNQCDNSA-N 293.725 3.812 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc(Cl)c(F)c1 1323870308 JLZFVJGYMQQGJG-UHFFFAOYSA-N 287.721 3.859 30 20 CHED N#Cc1cccc(CNC(C2CCCC2)C2CCCC2)n1 1183939756 OBDCCTGQHVCHRM-UHFFFAOYSA-N 283.419 3.792 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2ccccc2Cl)c1 1349856591 YSFVOFMOQMMJSZ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1cccc(Cl)c1F 1339393291 QTRQCYUNGKXWHZ-LBPRGKRZSA-N 296.773 3.729 30 20 CHED C=C(C)CCC(=O)NCCCSc1ccccc1 1335411717 BIQIBOXSIHOSNJ-UHFFFAOYSA-N 263.406 3.641 30 20 CHED C#CCC1(C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)CCCCC1 1343482120 XDOXLXUIEKXEGZ-HUUCEWRRSA-N 293.476 3.703 30 20 CHED C#C[C@@H](NC(=O)N(C)CC1CCCCC1)c1ccccc1 1261648701 NHHZCZZBFSREIG-QGZVFWFLSA-N 284.403 3.583 30 20 CHED C#Cc1ccc(COC(=O)/C=C/SCc2ccco2)cc1 1348165837 HPZSFZAXIQONFU-PKNBQFBNSA-N 298.363 3.751 30 20 CHED CCCCCCCCCCNC1CCN(C(C)=O)CC1 105839555 QMBBPLRGDHOHEK-UHFFFAOYSA-N 282.472 3.728 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)CC2(C#N)CCCCC2)C1 1351279869 YCJKBGBNPBUQOZ-KGLIPLIRSA-N 263.381 3.972 30 20 CHED C[C@H](C(=O)O[C@H](CC#N)c1ccco1)c1ccccc1 1350310866 BGFBQTSKIXMZEN-SWLSCSKDSA-N 269.300 3.581 30 20 CHED CCN(CCC#N)Cc1c(C)c(C)c(C)c(C)c1C 1231493660 NTEWEPLNRHAHNA-UHFFFAOYSA-N 258.409 3.964 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1443022938 ZZOYXDCOBPPCGO-QZTJIDSGSA-N 298.430 3.796 30 20 CHED C[C@@H]1CCC[C@@H](C)N(CCc2ccc(C#N)cc2)C1 1459503856 AYMWTCPHQDYPDV-HUUCEWRRSA-N 256.393 3.611 30 20 CHED CSc1cccc(COC(=O)c2csc(C#N)c2)c1 1524853852 XKYRDTUEZVKJKT-UHFFFAOYSA-N 289.381 3.699 30 20 CHED N#Cc1cc(NC(=O)c2ccc(F)c3occc23)ccc1F 1528017988 VCCPZOWRIYAIFE-UHFFFAOYSA-N 298.248 3.835 30 20 CHED Cc1ccc(F)c(OCc2cccc(C#N)c2F)c1 223550154 JLMFUCBWDZDRGC-UHFFFAOYSA-N 259.255 3.724 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC1CCCCCC1 1476232616 PTUVGEYWRQRMPI-UHFFFAOYSA-N 285.391 3.959 30 20 CHED CC1=C(C(=O)N(c2cccc(C#N)c2)C2CCC2)CCC1 1532045693 UKNUBTCSFPLPHL-UHFFFAOYSA-N 280.371 3.944 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCCC[C@H]1C 1616421827 PNAISKOHAUUPTP-GDBMZVCRSA-N 278.440 3.991 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)c2cc(C)cc(C)c2)n1 1472689381 ZVTGCSYXBNQWFQ-CYBMUJFWSA-N 280.375 3.701 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)C(CC(C)C)CC(C)C 1611394429 RJJIBBDBXDYAEH-HNNXBMFYSA-N 266.429 3.845 30 20 CHED C[C@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC12CCC2 1546182459 ZBQJPEVCHHHDSY-DOTOQJQBSA-N 296.414 3.723 30 20 CHED CCC(CC)CN(CCC#N)C[C@H](O)c1cccc(C)c1 1559578775 SFDDOTSQOWHNNA-SFHVURJKSA-N 288.435 3.680 30 20 CHED CC1(C)CCC(C)(C)N(Cc2cccc(C#N)c2)C1 1647810157 REDMQEINHVTLQZ-UHFFFAOYSA-N 256.393 3.959 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1cnc(Cl)cn1 1644017997 JURDPXGZFCTURY-UHFFFAOYSA-N 294.141 3.543 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1 121104197 PFQHDAMMMZOSRE-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1ccccc1CCN(C)c1ccc(Cl)c(C#N)n1 1642725539 SOBUCVZMPHXFFG-UHFFFAOYSA-N 285.778 3.594 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2cccc(O)c2)cc1 1641049762 VLQVZVUWIYKCJI-MRXNPFEDSA-N 269.369 3.928 30 20 CHED C=CCCc1ccccc1NCc1cc(C)c(C(=O)O)[nH]1 1573360819 XYMMMXJWYXRCSW-UHFFFAOYSA-N 284.359 3.752 30 20 CHED C=C(Cl)CNCc1cccc(OC2CCCC2)c1 1656579469 SHDVCRVYHOQSTQ-UHFFFAOYSA-N 265.784 3.850 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3ccncc3s2)c1 1583754814 DKLRFCVZTCEXCD-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H](Cc2ccccc2)C1 1663700341 XTJIMQCYEOJBLN-WMZOPIPTSA-N 270.420 3.881 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 1678413200 LDRWVBHWXLLYMK-QGZVFWFLSA-N 285.391 3.911 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1680681757 VBMNSOURIXPOHP-APIJFGDWSA-N 266.429 3.691 30 20 CHED C=CC[C@@H](CNc1ccc(C(=O)O)c(C)n1)c1ccccc1 1776151789 AVNWVLNXJVSYRD-HNNXBMFYSA-N 296.370 3.860 30 20 CHED C=CCCC1(CNc2ncc(C(=O)O)s2)CCCC1 1776170404 HYJGDGQUARQCOU-UHFFFAOYSA-N 280.393 3.780 30 20 CHED C=CCCCCN1CCC(c2ccc(C(=O)O)cc2)CC1 1776174860 RZXQTWFEFLFIFJ-UHFFFAOYSA-N 287.403 3.921 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(C(=O)O)ccc2C)cs1 1777420836 BEXCNJQHKSMDCL-GQCTYLIASA-N 286.352 3.959 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(-c2nc3ccccc3s2)o1 5583690 VGKIVPMJHPRYCW-VIFPVBQESA-N 298.323 3.625 30 20 CHED N#Cc1cccnc1NCCSc1ccc(Cl)cc1 17281615 COMBOCFRDUCLLG-UHFFFAOYSA-N 289.791 3.811 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)c(-c2ncco2)c1 162852334 PJVZEYRGMDUSNG-GFCCVEGCSA-N 285.347 3.736 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C1CCCC1)C(F)(F)F 151788361 GBQLGBUSWOFYJA-ZDUSSCGKSA-N 289.341 3.992 30 20 CHED COCCC1(CNCC(C)(C)CCC#N)CCCC1 151786819 YSPWUMSXQRYADJ-UHFFFAOYSA-N 266.429 3.503 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 154354248 RWJMIRHOWVUVSC-QWHCGFSZSA-N 299.374 3.666 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 154354362 RWJMIRHOWVUVSC-CHWSQXEVSA-N 299.374 3.666 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)cc1)c1cccc(O)c1 6432889 TZPOOAJONJSEOK-RMKNXTFCSA-N 290.265 3.890 30 20 CHED C=CCNc1nc(-c2ccc(F)c(F)c2)cs1 7843351 SUQRZVSEKRXWHX-UHFFFAOYSA-N 252.289 3.686 30 20 CHED C#Cc1ccc(CNc2ccc3c(c2)CCCO3)cc1 809634309 XUNUQZAMGUZEPJ-UHFFFAOYSA-N 263.340 3.605 30 20 CHED Cc1nc2ccc(NC(=O)C3(C#N)CCCC3)cc2s1 20962330 KGKICVPFPCJLBI-UHFFFAOYSA-N 285.372 3.627 30 20 CHED N#CC1(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CCCCC1 155959860 IVRNKKGSPGTHTJ-CABCVRRESA-N 274.408 3.545 30 20 CHED CC(C)CC[C@@H](C)NCc1ccc(OCC#N)cc1 34991358 SKERBVYGILYELQ-CQSZACIVSA-N 260.381 3.503 30 20 CHED CC(C)(C#N)CNCc1ccc(Cl)c2cccnc12 168918459 VSGANGZMQMWXBK-UHFFFAOYSA-N 273.767 3.528 30 20 CHED N#Cc1cccnc1NCc1cccc2ccccc12 50197823 YRFULCYYEWVGQE-UHFFFAOYSA-N 259.312 3.719 30 20 CHED Cc1c(F)cccc1NCc1ccc(C#N)c(F)c1 190385115 VBOXVMMEGLBEGD-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=CCCN[C@@H]1CCc2ccc(Br)cc21 308804577 OCBJDKGZIZBKMF-CYBMUJFWSA-N 266.182 3.602 30 20 CHED C[C@@H]1CCCCN1c1cc(Br)c(C#N)cc1F 310422628 OWLDMEQPVPPYTM-SECBINFHSA-N 297.171 3.839 30 20 CHED CC[C@H]1CCC[C@H]1NC1CC(C#N)(c2ccccc2)C1 388583423 GKZZMVHHFPXOFS-FQXVJMBOSA-N 268.404 3.779 30 20 CHED C[C@H](Cc1cccc(F)c1)Nc1cc(F)cc(C#N)c1 718619970 VHLHTWXFBFDKGJ-LLVKDONJSA-N 272.298 3.880 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)ncc1Cl 785862268 XNIGTUNIIVHWMN-SECBINFHSA-N 285.174 3.569 30 20 CHED CC(=O)C(C)=C1CN(C(c2ccccc2)c2ccccc2)C1 2332239819 YNUCQFUZIVZYLY-UHFFFAOYSA-N 291.394 3.997 30 20 CHED Cc1ccccc1CSCC(=O)Nc1ccc(C#N)cc1 3601230 LWSWBGVLRHRBRP-UHFFFAOYSA-N 296.395 3.739 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cccnc2)cc1C 7621505 SQGVCXNIDFUZKO-VOTSOKGWSA-N 251.329 3.903 30 20 CHED CC(C)Oc1ccc([C@@H](C)Nc2ncccc2C#N)cc1 52356048 OOTGJUCPNVCLDV-CYBMUJFWSA-N 281.359 3.914 30 20 CHED CCCCCCCC(=O)Nc1ccc(N(C)C(C)=O)cc1 100168430 QELPRMQDDQPREI-UHFFFAOYSA-N 290.407 3.968 30 20 CHED COCCOc1ccc(/C=C/C(=O)C2CCCCC2)cc1 107099287 JILRJMNMYYPJRP-FMIVXFBMSA-N 288.387 3.874 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2C)cc1O 58773697 WVGMMAWPGHCXCI-VQHVLOKHSA-N 268.312 3.605 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(N(C)C(C)C)c1 117007310 RYJCSBPUFTVNNO-ZDUSSCGKSA-N 275.396 3.617 30 20 CHED Cc1oc(C)c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1C 26123440 DRHMHJZSQDUNCW-NSHDSACASA-N 282.343 3.568 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1CCCc2ccccc21 54668970 DQJZDBAIFSVKRH-MRXNPFEDSA-N 276.339 3.617 30 20 CHED CCCCCC[C@H](C)C(=O)NCc1cccc(C#N)c1 172751081 PDCPYHISNJDABH-AWEZNQCLSA-N 272.392 3.781 30 20 CHED N#CCOc1ccc(CNCc2coc3ccccc23)cc1 179082134 YVMNPBDHEFRGPF-UHFFFAOYSA-N 292.338 3.625 30 20 CHED O=C(/C=C/c1ccsc1)c1ccc(F)cc1F 57435341 YNAFIIMKUAKNQN-DAFODLJHSA-N 250.269 3.922 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(CC(F)(F)F)cc1 173661884 WFVICGOHXOBETE-JTQLQIEISA-N 286.297 3.878 30 20 CHED N#Cc1ccc(N2CCCC3(CCCCC3)C2)nc1 347191306 UYVXTIUPTFDEGW-UHFFFAOYSA-N 255.365 3.504 30 20 CHED Cc1ccc(O)c(CNc2cccc(OCCCC#N)c2)c1 103855677 SAKMYRGYSYNNQD-UHFFFAOYSA-N 296.370 3.995 30 20 CHED C[C@]1(c2ccccc2)CCCN(C(=O)C2(C#N)CCCC2)C1 113215938 CUHZLQAIIZLPRD-SFHVURJKSA-N 296.414 3.651 30 20 CHED CO[C@@H](C)c1nc(CO/N=C/c2ccccc2C)cs1 177534641 GGEOUHJXKYBNRV-WIJRQFRKSA-N 290.388 3.710 30 20 CHED N#Cc1cccc(Cl)c1NCc1cccc([N+](=O)[O-])c1 301376591 RQIIRBHHKNWNGT-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)c(F)c1 503858196 RCLXHTUTOWPRNZ-OWYVNGRQSA-N 298.308 3.508 30 20 CHED N#CCCN(CC(F)(F)F)C(=O)CCCC1CCCC1 177626600 LHLOGKWDRBJOOO-UHFFFAOYSA-N 290.329 3.651 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(c2ccc(C#N)nc2)C2CC2)o1 301538151 UOTDOPFQMNRBBV-SJCJKPOMSA-N 293.370 3.839 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@@H](C)CC(C)C 67822319 SGXASMKTDZPWBQ-LBPRGKRZSA-N 274.364 3.578 30 20 CHED C=CC1CCN(C(=O)Nc2cc(F)ccc2C)CC1 111704644 VVOCOZKUEZGBRT-UHFFFAOYSA-N 262.328 3.564 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cnc(-c2ccccc2)nc1 170699080 WFOOUCFWHZNYEQ-UHFFFAOYSA-N 296.374 3.574 30 20 CHED N#Cc1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1 176814998 FOUFHCCZHHNMTQ-UHFFFAOYSA-N 276.339 3.520 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)Cc2cccc(F)c2)c1 66019161 JPUXTFLAJAQKFE-CYBMUJFWSA-N 281.330 3.624 30 20 CHED CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(C#N)cc1F 301599660 UMTVRXBLPSPDEZ-CJNGLKHVSA-N 276.355 3.560 30 20 CHED C=CCn1c(SCCCC(C)(C)C#N)nnc1C1CC1 177183725 IKFMOAOTUBZVPH-UHFFFAOYSA-N 290.436 3.764 30 20 CHED CS[C@H]1CCC[C@H](Nc2c(C#N)cccc2C#N)C1 302880196 ICZOHRXWAPENFQ-KBPBESRZSA-N 271.389 3.516 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(C(C)(C)C)s1 126271822 WJLQWUVXOSQUAU-SECBINFHSA-N 251.351 3.505 30 20 CHED C=C(C)CN(C)Cc1cccc(-c2cccnc2)c1 181050456 FCANWWWUAJFOEY-UHFFFAOYSA-N 252.361 3.757 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1 33476468 NDJMLPXCPUERAE-YVMONPNESA-N 269.250 3.733 30 20 CHED Cc1cc(C(=O)NC2(C#N)CCCCC2)c(C)n1C(C)C 78287790 YVEQXZLDDNNFJV-UHFFFAOYSA-N 287.407 3.642 30 20 CHED N#Cc1cccc(CN2CCCc3cc(F)c(F)cc32)c1 506144710 VSQPNFLNGGWBCU-UHFFFAOYSA-N 284.309 3.789 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(F)cc1Cl 124433618 UAVOMQLLEYCPOS-SNVBAGLBSA-N 294.757 3.740 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416713706 NWEFINGFGGVIFI-DOTOQJQBSA-N 297.402 3.590 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(OC2CCC2)CC1 419290417 VMBYATVDAJBZLV-AWEZNQCLSA-N 284.403 3.653 30 20 CHED CCC(CC)c1nnc(NCc2ccc(C#N)s2)s1 181548180 FUPUXMWWAWVIKE-UHFFFAOYSA-N 292.433 3.987 30 20 CHED COc1ccc2c(c1)[C@H](Nc1ccc(OCC#N)cc1)CC2 316753152 ZVPYXHSYTQZNFR-GOSISDBHSA-N 294.354 3.697 30 20 CHED C=CCC1(C(=O)Nc2ncccc2CC)CCCC1 410605762 IDVBYZCCXRNPFD-UHFFFAOYSA-N 258.365 3.719 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@@H]1CCCc2ccccc21 504220721 QEFBGTNULHHQCG-INIZCTEOSA-N 286.419 3.714 30 20 CHED CC(C)CCOc1ccc(CN(C)C[C@@H](C)C#N)cc1 509799399 NVASWUIJIYPTHS-HNNXBMFYSA-N 274.408 3.703 30 20 CHED CC(=O)c1cccc(N[C@H](C)c2cccc(C#N)c2)c1 188188987 PMTZBNMCPWCGTB-GFCCVEGCSA-N 264.328 3.934 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc2c3c(cccc13)CC2 78474137 VVFBCRLXNQRUOC-UHFFFAOYSA-N 293.370 3.706 30 20 CHED C#CCCCNC(=O)N(CC(C)(C)C)CC(C)(C)C 183748598 IYTHXZXNNPZUKW-UHFFFAOYSA-N 266.429 3.504 30 20 CHED CCc1cccnc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 507517216 XYGVAXAWNOFYFY-KGLIPLIRSA-N 279.387 3.927 30 20 CHED CC[C@H](C#N)NC(=O)C1(c2cccc(Cl)c2)CCCC1 123685388 JLJYPXNIBKPCPT-CQSZACIVSA-N 290.794 3.570 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 128687677 PNOFKAAAIDWUSV-ZJUUUORDSA-N 286.297 3.640 30 20 CHED CSC[C@@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N 410932431 YCLXHYNYPUOFOJ-SECBINFHSA-N 296.461 3.855 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 180423098 RMTURSPVSJRHCN-MNOVXSKESA-N 281.758 3.617 30 20 CHED Cc1ccc(C)c(CN2CCCC(C)(C)[C@@H]2C#N)c1 444721780 GGQFDHSEOCGTOT-INIZCTEOSA-N 256.393 3.818 30 20 CHED CCOc1ccc(OC)cc1N[C@H]1CCC[C@@H](C#N)C1 185746464 SKAWGIODELKMRJ-OLZOCXBDSA-N 274.364 3.588 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1ccc(C#N)s1 507980149 KFPITJKGWRJTQH-UHFFFAOYSA-N 284.384 3.593 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)cc1 213228530 AEZOYDAAFPWNAL-SREVYHEPSA-N 272.325 3.651 30 20 CHED CCS[C@@H]1CCCCN(CCC(C)(C)C#N)C1 131566592 ABFBXERBCIZBHL-CYBMUJFWSA-N 254.443 3.534 30 20 CHED CC(C)N(CCC#N)Cc1ccc(Br)cc1 42324204 YTKYJKYDVYDHDT-UHFFFAOYSA-N 281.197 3.573 30 20 CHED CO[C@H](CSc1ccc(C#N)cc1F)CC(C)C 416904336 DMFWQFHDIAOABC-LBPRGKRZSA-N 267.369 3.851 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cccc(-c3cc[nH]n3)c2)CCC1=O 328905354 ASJNVYLTOHDORI-DGCLKSJQSA-N 297.358 3.670 30 20 CHED C[C@@H](N[C@H]1CCCc2scnc21)c1cccc(C#N)c1 599026437 APSSAUIDUAJLED-RISCZKNCSA-N 283.400 3.743 30 20 CHED CC1=CCC[C@H](C)[C@H]1CN(CCC#N)Cc1ccccn1 191065543 IZCNJOMGAMRMRI-WMZOPIPTSA-N 283.419 3.790 30 20 CHED C[C@@H](CC1CCCC1)C(=O)NCc1cc(C#N)ccc1F 80790615 YKACCDXFKSBLHR-LBPRGKRZSA-N 288.366 3.530 30 20 CHED CCc1ccc(CCC(=O)N[C@@H](C#N)C2CCCCC2)cc1 506516087 NRQASXINNOBXFA-SFHVURJKSA-N 298.430 3.770 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2nc(C3CC3)cs2)CCC1=O 328911645 GOIPNDGGRAGGDG-WCBMZHEXSA-N 278.377 3.614 30 20 CHED C=CCSCC(=O)Nc1cc(C)c(Cl)cc1OC 44279060 LSGVIMUEWALVBW-UHFFFAOYSA-N 285.796 3.515 30 20 CHED CCn1c([C@H]2CCCN2CCCCC#N)nc2ccccc21 84131599 DGCRUNIKNMKTAX-QGZVFWFLSA-N 296.418 3.887 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1F)c1cccc(C#N)c1 194655041 BTPLXVQCSNFDOB-LLVKDONJSA-N 266.275 3.709 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccc(Cl)cc2[nH]1 49088732 DZKOTSNSYNBVMG-UHFFFAOYSA-N 276.767 3.860 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(Br)c1 44764971 HFTBCDTYJHJOGS-UHFFFAOYSA-N 295.180 3.718 30 20 CHED CC1(C)CCCC[C@H]1CC(O)=Nc1nncn1C1CC1 329129363 VXJPBZYBHMXTFD-NSHDSACASA-N 276.384 3.808 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C)cc1CN(C)C 133615655 NOHVWZSUZSHAFL-UHFFFAOYSA-N 286.419 3.764 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccccc2N2CCCCC2)C1 193272028 OARKOXLYNCDRNP-FUHWJXTLSA-N 297.446 3.849 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1 329387938 QJNKDZFKXVMGGI-IAGOWNOFSA-N 293.370 3.594 30 20 CHED C=CC[C@@H](CC)NC[C@@H](O)COc1cccc2ccccc12 516277778 HUTNGPAMEGLLNH-IAGOWNOFSA-N 299.414 3.524 30 20 CHED C#CCCCC(=O)NCc1sc(-c2ccccc2)nc1C 192106390 RAWIOSAWXXFAIC-UHFFFAOYSA-N 298.411 3.538 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(Cl)c(F)c2)C1 612407117 YTIWBLJBXAMJBI-AWEZNQCLSA-N 266.747 3.605 30 20 CHED CC(C)(CC#N)CSc1nnc(-c2ccc(F)cc2)o1 516982220 XRXISTCRQJGZNG-UHFFFAOYSA-N 291.351 3.908 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1cccs1 135685408 UNVXBTBDPNJLEC-GFCCVEGCSA-N 262.403 3.922 30 20 CHED CCC(CC)N(CCCSCC#N)CC(C)C 177865846 NEALXQUTNAMUMF-UHFFFAOYSA-N 256.459 3.780 30 20 CHED COc1ccc([C@@H](NCC2(CC#N)CC2)C(C)C)c(F)c1 421861446 VWESYPWMGUDKTC-INIZCTEOSA-N 290.382 3.815 30 20 CHED N#CC1(C(=O)Nc2cccc(Cl)c2F)CCCC1 44293135 SXQLIBVKNYTCIU-UHFFFAOYSA-N 266.703 3.502 30 20 CHED Cc1cc(N2CC[C@H](c3ccccc3)[C@@H]2C)c(C#N)cn1 425231029 MLZBIGJLMARTBS-YOEHRIQHSA-N 277.371 3.644 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(c2ccnc(C#N)c2)C1 425275478 BQZJBZNLDCQMCI-QGZVFWFLSA-N 277.371 3.931 30 20 CHED CO[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425533731 LALSBPANBRTTHT-BEFAXECRSA-N 294.398 3.939 30 20 CHED CC#CCN(C)C(=O)c1ccc(C2CCCCC2)cc1 516806041 JMPIBFLARNIUNI-UHFFFAOYSA-N 269.388 3.830 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@H](C)C[C@@H]1C 517209201 KHGRISRPXULEMZ-KGLIPLIRSA-N 288.439 3.747 30 20 CHED Fc1ccc(C#CCN2CCC[C@H](CC(F)(F)F)C2)cc1 420955423 WLMQYGQXOODULL-CQSZACIVSA-N 299.311 3.842 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC12CCCC2 335082071 CDUOZOGNTMKSIH-XJKSGUPXSA-N 282.387 3.658 30 20 CHED Cc1coc2ccc(N=C(O)N[C@H]3CCC[C@@H]3C#N)cc12 330162598 UQYYGHMFMRDQMK-RISCZKNCSA-N 283.331 3.569 30 20 CHED CC1CCC(N(C)Cc2cn3ccccc3c2C#N)CC1 338393987 FOZLTZFCWJLDLM-UHFFFAOYSA-N 281.403 3.821 30 20 CHED Cn1cc(N[C@H]2CC[C@@H](C#N)C2)c(C2CCCCC2)n1 333563932 OMJSVZBKLPYXGZ-OCCSQVGLSA-N 272.396 3.572 30 20 CHED N#Cc1ccncc1N1CC=C(c2ccc(Cl)cc2)CC1 91735541 YRHPMYIGJOHWJB-UHFFFAOYSA-N 295.773 3.900 30 20 CHED COC1(C/N=C(/O)c2scnc2C(C)C)CCCCC1 331352954 ZSAYZNOBIMUPFX-UHFFFAOYSA-N 296.436 3.920 30 20 CHED Cc1ccc(Cl)c(N/C(O)=N/CC[C@@H](O)C(C)C)c1C 331229278 GTEQUAJPCUKBNS-CYBMUJFWSA-N 298.814 3.690 30 20 CHED C[C@H](C#N)Sc1nc(-c2ccccc2)ccc1C#N 335976862 RUOYIABRNNULLW-LLVKDONJSA-N 265.341 3.624 30 20 CHED C[C@H](C#N)Oc1ccc(CNC2(C)CCCCC2)cc1 237564363 PAFSSGRHFCJZJZ-CQSZACIVSA-N 272.392 3.790 30 20 CHED Cc1ncc(-c2ccccc2)cc1NC(=O)C(C)(C)C#N 334174407 BHNYGSATULOYKV-UHFFFAOYSA-N 279.343 3.545 30 20 CHED CC(C)(CCC#N)CNC1CC(c2ccccc2)C1 266175509 DSDQKIKGKHFMRV-UHFFFAOYSA-N 256.393 3.852 30 20 CHED O/C(CCc1cncnc1)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 330283108 VYAIZYTVYVUULR-ARFHVFGLSA-N 287.407 3.725 30 20 CHED Cc1c(C(=O)/C=C/c2cccs2)nnn1-c1ccccc1 147687910 ZVUYCYPJQIKTPG-MDZDMXLPSA-N 295.367 3.533 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H]1CCCCN1C1CC1 433805248 MABUBXACENWRBO-CQSZACIVSA-N 289.810 3.640 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2cc(C#N)cs2)n1 93453596 MEFSYMUQTCYGOY-MRXNPFEDSA-N 283.400 3.660 30 20 CHED Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)ncc1C#N 332228323 NGKCVJFKSXGKIQ-OAHLLOKOSA-N 299.418 3.550 30 20 CHED Cc1c(NC(=O)[C@]2(C#N)CC23CCCC3)ccc(F)c1F 334874374 YLMUQNLWWKDOGT-MRXNPFEDSA-N 290.313 3.686 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN(CCC#N)CC(C)(C)C 525328109 YHDBJYNCEKACJY-HZPDHXFCSA-N 280.456 3.843 30 20 CHED CN(CCC#N)C(=O)C1(C2CCCCC2)CCCCC1 345272486 VHSOUXGGPUCDHY-UHFFFAOYSA-N 276.424 3.889 30 20 CHED C[C@H]1c2c(Cl)cc(Cl)cc2CCN1CCC#N 434908358 ZWSPHOWBOBIGCT-VIFPVBQESA-N 269.175 3.826 30 20 CHED N#Cc1cccc(OCCCSCc2cccnc2)c1 341925406 LRWWORGSYPZJKI-UHFFFAOYSA-N 284.384 3.656 30 20 CHED CCC(CC)[C@@H](CCNc1cc(C)nc(C#N)c1)OC 342789248 ZKXANCLNJURMFH-MRXNPFEDSA-N 275.396 3.515 30 20 CHED CO[C@@H]1[C@H](C)[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1(C)C 344327339 LMVKGHMMRNZMHU-PBZHRCKQSA-N 298.430 3.585 30 20 CHED Cc1csc(NC(=O)Cc2cccc(Cl)c2)c1C#N 344931058 RNMLCBWZEVDRHE-UHFFFAOYSA-N 290.775 3.763 30 20 CHED C[C@H](CC#N)NCCCOc1cccc2ccccc12 609449214 HKACJIQVMJTCPZ-CQSZACIVSA-N 268.360 3.500 30 20 CHED Cc1nc(CCSc2ccc(C#N)cc2F)cs1 347730677 BXQDSXJYFCBZSY-UHFFFAOYSA-N 278.377 3.797 30 20 CHED C=CC[C@@H](C)NC(=O)NCCCc1ccc(Cl)cc1 522577933 IIFYLMLYNDQHDU-GFCCVEGCSA-N 280.799 3.536 30 20 CHED C=CCOCCCN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 348026718 DRIJFTNUFCHUGB-GOEBONIOSA-N 277.408 3.954 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2cnn(C(C)C)c2)cc1 255442584 APZGMLKHSBSXLW-WDZFZDKYSA-N 297.402 3.816 30 20 CHED CC(C)c1cnc(SCc2ccc(CC#N)cc2)[nH]1 600586945 YFJCVZOVEOTWEO-UHFFFAOYSA-N 271.389 3.891 30 20 CHED N#CCc1ccccc1C(=O)N[C@@H]1CCCc2sccc21 601452485 UEFQNDQRPRYYAP-OAHLLOKOSA-N 296.395 3.622 30 20 CHED N#CC1(CN2CCc3c(ccc(Cl)c3Cl)C2)CC1 343320211 KHRAUDDWCHZRGL-UHFFFAOYSA-N 281.186 3.655 30 20 CHED C[C@H](CCC#N)CNCC1(c2ccc(F)cc2)CCC1 602526386 KEZACXFBSSIWEC-CQSZACIVSA-N 274.383 3.777 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)NCC(C)(C)CCC#N 358744761 WNXKAEPYRJBQRY-LBPRGKRZSA-N 293.436 3.780 30 20 CHED CCCNc1ccccc1NC(=O)c1ccc(F)c(C#N)c1 354615501 GHQKKLUCZJHCMD-UHFFFAOYSA-N 297.333 3.772 30 20 CHED C=CCOc1ccccc1C(=O)NCCCC(C)(C)C 606872936 NSSQXPKFIHXRDU-UHFFFAOYSA-N 275.392 3.808 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CCCc2ccccc21 602506482 XVJKPOVSTKTQET-YJBOKZPZSA-N 298.430 3.753 30 20 CHED Cc1cc(CNC[C@@H]2CCOc3ccccc32)ccc1C#N 443979954 LLRUOPGXNHSMAM-KRWDZBQOSA-N 292.382 3.523 30 20 CHED CC(C)[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 444758576 YSUOSOSCEPCWLC-PBHICJAKSA-N 256.393 3.987 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CC)C1CCCCC1 604897659 USLPPVQMOLZPRH-GXTWGEPZSA-N 252.402 3.609 30 20 CHED C/C(=C/c1ccccc1)CN(C)CC1(CC#N)CC1 602820367 JZGUDAWYHPSESZ-QINSGFPZSA-N 254.377 3.716 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc(Cl)o3)no2)c1 350910158 MNZUNOHKDCEAMZ-UHFFFAOYSA-N 271.663 3.522 30 20 CHED C[C@H]1CC[C@H](C(=O)N(C)c2cc(Cl)ccc2C#N)C1 537355881 COEYIBVDMPDSMZ-QWRGUYRKSA-N 276.767 3.611 30 20 CHED C=CCc1cccc(C(C)C)c1N[C@H]1CCN(C2CC2)C1=O 352562593 LCXZGDFNCHBWPV-KRWDZBQOSA-N 298.430 3.714 30 20 CHED CC(C)N(C)C[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 353569369 CCUKLKWHYWEDIL-HNAYVOBHSA-N 299.462 3.644 30 20 CHED N#Cc1cccc(N2CCCC[C@H]2c2ccc(F)cc2F)n1 533687055 XBHYSTNTMAAPBB-INIZCTEOSA-N 299.324 3.963 30 20 CHED C[C@@H]1CSC[C@H]1N[C@H]1CCCCc2cc(C#N)ccc21 354019476 YTCVHFLSGMKWHI-OAUYIBNBSA-N 286.444 3.667 30 20 CHED Cc1ccncc1[C@@H](C)NCc1ccc(C#N)c(Cl)c1 619755207 CKRWHHAQQURCNV-GFCCVEGCSA-N 285.778 3.766 30 20 CHED C=C(CC)CNc1cc([N+](=O)[O-])ccc1OC(F)F 536883346 YGJPVQXYOBHFCW-UHFFFAOYSA-N 272.251 3.574 30 20 CHED C=C(C)COc1cccc(NC(=O)C2CC(F)(F)C2)c1 440590199 XBKXBXKZZHKURT-UHFFFAOYSA-N 281.302 3.625 30 20 CHED C=CCN(C(=O)c1ccc(Oc2ccccc2)o1)C1CC1 536874909 GBFTXOMOKXMRLJ-UHFFFAOYSA-N 283.327 3.863 30 20 CHED C=CCCCC[C@H](C)NCC[C@H]1CCO[C@@H](C)C1 449237537 BZKAWFNNRLFUQE-JYJNAYRXSA-N 253.430 3.916 30 20 CHED CC[C@H](C(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1 359754681 DECFUZSIIOLAIE-HNNXBMFYSA-N 290.382 3.765 30 20 CHED C=C(C)CCc1noc(-c2cccc3cccnc23)n1 351607354 KERALOSGEYKOKC-UHFFFAOYSA-N 265.316 3.794 30 20 CHED CC1=C(C(=O)NCc2ccc(C#N)cc2)CCC(C)(C)C1 448666193 TZIAOMREAZUXJQ-UHFFFAOYSA-N 282.387 3.701 30 20 CHED CC[C@H](C)CCCCC(=O)NC1(C#N)CCCCC1 612004881 BPZNOBQBIONOEF-AWEZNQCLSA-N 264.413 3.936 30 20 CHED CCC[C@@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccccc1 619247960 KPSPERUMRNHNAY-QGZVFWFLSA-N 294.354 3.535 30 20 CHED CC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(C#N)cc1Cl 269945805 HTFXFZCLDPLCRV-ZJUUUORDSA-N 296.823 3.607 30 20 CHED COCCCCCO/N=C(\C)CCc1ccc(OC)cc1 266309435 PEHRZVNVEFWLEF-OBGWFSINSA-N 293.407 3.837 30 20 CHED C=C(C)[C@@H](CC(=O)NC1CCC(CCC)CC1)OCC 533676824 WWSSABRLGZPYCB-UYSNPLJNSA-N 281.440 3.833 30 20 CHED C=C(C)COCCN[C@H]1c2cccc(F)c2CC[C@H]1C 539060532 TUQBHGKPTQXDQD-CXAGYDPISA-N 277.383 3.631 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 264059748 CFKRPCBMJVUUDN-UHFFFAOYSA-N 284.281 3.889 30 20 CHED C=CCCCN(C)C(=O)NC1CCc2ccccc2CC1 459051356 ASLHCBQELLXAHA-UHFFFAOYSA-N 286.419 3.542 30 20 CHED N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)s1 362899627 ARLHCIOBGBNIIZ-HNNXBMFYSA-N 282.368 3.501 30 20 CHED C=C[C@H](CC(=O)NCCC1CC(F)(F)C1)c1ccccc1 457163318 UTXJDANTXVLXGW-CQSZACIVSA-N 293.357 3.898 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC(OCC2CC2)CC1 364287309 OGWAUDNPBYFGEP-UHFFFAOYSA-N 290.794 3.607 30 20 CHED C=CCCc1noc([C@H]2C[C@]2(C)c2ccccc2)n1 453227304 YITZDRPDBASYED-CZUORRHYSA-N 254.333 3.633 30 20 CHED C=C(CC)CN[C@@H](C)c1ncc(Br)s1 453372050 RYPYQVKDZCAHCZ-QMMMGPOBSA-N 275.215 3.522 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1(C)C 544789099 TYTTXPWZWQAROU-NSHDSACASA-N 289.354 3.597 30 20 CHED Cc1cccc2c(N3CCSC[C@@H](C)C3)c(C#N)cnc12 617003370 XAUAZGWBQYKBRN-LBPRGKRZSA-N 297.427 3.604 30 20 CHED C[C@]1(CCc2ccccc2)CCN(C(=O)CCCC#N)C1 360302040 CLMAFEQSBBRKAU-SFHVURJKSA-N 284.403 3.552 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1cc(C)cc(C#N)c1 456003500 NMFFWYBCNPVFPJ-GFCCVEGCSA-N 273.380 3.767 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC12CCC2 610737967 WDTHFFNVWNRWGJ-QGZVFWFLSA-N 296.414 3.733 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)CCC=C(C)C)CC1 455265432 CVGDNJMNGWXINP-CQSZACIVSA-N 264.413 3.729 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 545559790 COBGRBRSTLBYBB-BIWSTMPVSA-N 296.414 3.682 30 20 CHED CCCc1nc(C)c(NC(=O)c2cccc(C#N)c2)s1 362476468 KGKUJEKVHMDUOQ-UHFFFAOYSA-N 285.372 3.528 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 362372463 ZXUHRLXYWQDXRV-PWSUYJOCSA-N 286.297 3.554 30 20 CHED C=CCC(CC=C)C(=O)NC1CC(OCc2ccccc2)C1 546631733 OPKMTQIEXMPRAA-UHFFFAOYSA-N 299.414 3.619 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)C1CCC1 457450633 HYAOPSWSFBCAGJ-AWEZNQCLSA-N 287.403 3.646 30 20 CHED C=C(CNC(=O)c1c(C)[nH]c2ccccc12)c1ccccc1 360221869 OSMQUUOWMBLKRV-UHFFFAOYSA-N 290.366 3.920 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCc3c(O)cccc32)c1C#N 273328162 LPXGHMURTNMATQ-CQSZACIVSA-N 299.761 3.720 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2ccncc2c1 620865028 XUCITLPMGGEBGN-UHFFFAOYSA-N 268.360 3.709 30 20 CHED CC(C)(C#N)CNC(=O)C(C)(C)Cc1ccc(Cl)cc1 457700423 PIHZYRYNQSAJBR-UHFFFAOYSA-N 292.810 3.575 30 20 CHED CCCCCCCCCC(=O)N1CCC2(CCNCC2)C1 374514809 QMEYIKBZBKXJPH-UHFFFAOYSA-N 294.483 3.729 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)Cc1c(F)cccc1F 466366352 GNIWNWRWDFDSBR-GFCCVEGCSA-N 296.361 3.851 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 540609613 XKOMMDMMYYKZPT-OLZOCXBDSA-N 262.422 3.924 30 20 CHED CC#CCCOc1ccc([N+](=O)[O-])c2ccccc12 462360833 QIEQEUUGNGNPJB-UHFFFAOYSA-N 255.273 3.540 30 20 CHED C=CCN1CC[C@@H](SCc2ccc(C(C)C)cc2)C1=O 540807301 XOSZEZLXZPQSQB-MRXNPFEDSA-N 289.444 3.830 30 20 CHED C=C[C@@H](C)NC(=O)c1sc2ccc(C)cc2c1C 469581398 WIROEXRDTVMSIZ-SNVBAGLBSA-N 259.374 3.822 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1SC(F)F 278535513 MBOOXNPRNBSPSM-UHFFFAOYSA-N 284.331 3.880 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccsc2)cc1 277597709 FABFGFOBJPQHOO-UHFFFAOYSA-N 256.374 3.761 30 20 CHED C[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(F)cc1 463648535 IGXXPRVIXMQJHA-LLVKDONJSA-N 299.305 3.821 30 20 CHED C=CCC[C@@H](CC)NC[C@H]1CCN(c2ccccc2F)C1 462820785 ZDFLWGCZBZIBFJ-HZPDHXFCSA-N 290.426 3.986 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@](C)(CC)C1 548913215 RMPBSLDPOABPIJ-KRWDZBQOSA-N 288.439 3.748 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCOC2(CCCCC2)C1 375230467 UJYACBYAJQPPOM-OAHLLOKOSA-N 294.439 3.524 30 20 CHED C[C@H](NC(=O)N[C@H](C)C1CCCCC1)c1ccc(C#N)cc1 465669564 USZUMMZMSXIMHW-KGLIPLIRSA-N 299.418 3.887 30 20 CHED C=C(C)CNC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C 466833287 VEHQCOVSHDGNKN-GDBMZVCRSA-N 272.392 3.540 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 286093248 UBMPOFKWQUSREQ-LJQANCHMSA-N 298.430 3.897 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 559349434 DEZOMJVIGUSMAN-CWLKWCNXSA-N 294.442 3.966 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccccc1OC(C)C 280717192 UOSDWGCNAWJMQH-FUHWJXTLSA-N 289.419 3.545 30 20 CHED C=C(C)CCc1noc([C@H]2CCC(=O)[C@H](C)C2(C)C)n1 289103372 LIAOSFPONRAYOU-NWDGAFQWSA-N 276.380 3.687 30 20 CHED CC(C)(C)OCCCCNC1(c2cccc(C#N)c2)CC1 556508959 VFJPFRUMYNJDTQ-UHFFFAOYSA-N 286.419 3.732 30 20 CHED C#CCCCCN[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 280398601 VLDUKOYMHIZQME-GJZGRUSLSA-N 289.419 3.589 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(OCCCC)c1 465161989 BYIZHYLGZGGYET-LBPRGKRZSA-N 262.353 3.562 30 20 CHED C=C(C)C[C@H](C)C(=O)NCc1ncoc1-c1ccccc1 373349934 XPHYAROGNHWNEH-ZDUSSCGKSA-N 284.359 3.560 30 20 CHED C=CC[C@H](CC)NC(=O)N(C1CC1)[C@H](C)C(C)C 466376932 PSJNWAOGUUKHLQ-OLZOCXBDSA-N 252.402 3.560 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc2nc(O)oc2c1 631737320 LVKMYTPQTXQRTL-SRVKXCTJSA-N 274.364 3.785 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)c1ccsc1 550350863 FYSVHILUQFOPLM-MLGOLLRUSA-N 290.432 3.830 30 20 CHED C=CCOc1cccc(CN[C@H]2C[C@@](C)(OC)C2(C)C)c1 465005878 ZZVPENKBLAWYKM-FUHWJXTLSA-N 289.419 3.545 30 20 CHED Cc1cccc(C2=CCN(c3cc(C)nc(C#N)c3)CC2)c1 553183328 KWGBMALDCVARSH-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C=CCCCCNC(=O)c1ccc(F)c(SC)c1 471710697 DAKNTUKXEDBJHU-UHFFFAOYSA-N 267.369 3.634 30 20 CHED C=CCCCN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC 556880633 PDWYAWAMQICKLE-KURKYZTESA-N 273.420 3.894 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cnc(OC)c(Cl)c1 556574005 NDSZPOLOJHURDD-JQWIXIFHSA-N 268.788 3.749 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C(CC)CC)cc1 299257331 HQRTXHBNHVCNNO-UHFFFAOYSA-N 288.391 3.768 30 20 CHED CC(C)[C@@H]1CCc2ccccc2N1C(=O)CCCC#N 291346739 NNQANGWDYYNGHD-HNNXBMFYSA-N 270.376 3.684 30 20 CHED CCCc1nnc(S)n1N=C[C@@H]1CCCC(C)(C)C1 808007816 HFJIRFLMBJYZQJ-LLVKDONJSA-N 280.441 3.570 30 20 CHED CC[C@@H](NCCCc1ncccc1C)c1ccc(C#N)cc1 296577987 UCDITILEDGLDKG-GOSISDBHSA-N 293.414 3.935 30 20 CHED CCOc1ccc2ccccc2c1OCCO[C@H](C)C#N 802736534 ZQJOCHKNUKGQJZ-CYBMUJFWSA-N 285.343 3.546 30 20 CHED C=C(Cl)COC(=O)CCc1ccc(C)cc1C 806330999 XMCJEQRAXNNMDB-UHFFFAOYSA-N 252.741 3.532 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C1(C(F)F)CCCC1 808803416 WBFMZGUMPMWJQS-UHFFFAOYSA-N 293.313 3.852 30 20 CHED C#C[C@@H](NC(=O)NCc1c(C)oc2ccccc12)C(C)(C)C 808291376 JZKPHLKQYVWBRU-MRXNPFEDSA-N 298.386 3.588 30 20 CHED C=CC[C@@H](C(=O)OCCCSCC#N)c1ccccc1 805533788 XEXAOQOQDZSBBI-OAHLLOKOSA-N 289.400 3.536 30 20 CHED C=C(Cl)CN(C)Cc1cscc1Br 709881332 LQRIGNVTGULCOA-UHFFFAOYSA-N 280.618 3.695 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N[C@](C)(C#N)C(C)C 566678916 MINMEOFRKAIDKH-GOEBONIOSA-N 264.413 3.813 30 20 CHED C[C@H](SCCCC(C)(C)C#N)C(=O)OC(C)(C)C 479710204 HAOCYXINKAQPRE-NSHDSACASA-N 271.426 3.780 30 20 CHED C=CCOc1cccc(CNc2cccc3c2COC3=O)c1 809791319 WSTDPIZSSVYNKD-UHFFFAOYSA-N 295.338 3.534 30 20 CHED CC(C)(C#N)CCN1CC[C@](F)(c2cc(F)cc(F)c2)C1 560169826 AHHPGFQEFZWHAQ-MRXNPFEDSA-N 296.336 3.775 30 20 CHED CC(C)(C(=O)OCCCCCF)c1cc(F)cc(C#N)c1 803925854 CSQUZLMYTYEVRS-UHFFFAOYSA-N 295.329 3.658 30 20 CHED C=CCC1(CNC(=O)CC2CCSCC2)CCCC1 560467358 CJWZCSIQOBYCBH-UHFFFAOYSA-N 281.465 3.772 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)C(C)(F)F)cc1 293243288 LKOGWUSOHXDZFO-GFCCVEGCSA-N 280.318 3.533 30 20 CHED CC#CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 801139582 KQSJFZQEKLMZKC-UHFFFAOYSA-N 290.322 3.621 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](CC)Oc1cccc(F)c1 560228553 XYKURHCBSDQNSJ-CQSZACIVSA-N 293.382 3.702 30 20 CHED CSCc1cccc(NC(=O)N(C)CC(C)(C)C#N)c1 565340978 AAKMSRRWKWCZAF-UHFFFAOYSA-N 291.420 3.563 30 20 CHED COc1cc(NCc2cccc(C#N)c2F)c(C)cc1C 480274974 CBIRBWZMFZPMDU-UHFFFAOYSA-N 284.334 3.935 30 20 CHED C(=NOC1CCC1)c1ncc(-c2ccccc2)s1 812236103 WAVYECUQAQZGIZ-UHFFFAOYSA-N 258.346 3.713 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2)oc1C 488832995 VCOODSWVSZXBLN-OAHLLOKOSA-N 296.370 3.831 30 20 CHED C=C[C@@H](C)NC(=O)NC1CCC(C)(c2ccccc2)CC1 487310484 YFIUHQZWTLXTHX-MXWWQKGMSA-N 286.419 3.761 30 20 CHED C=CCCCCCCCNC(=O)/C=C/c1ccc[nH]1 811590191 SCMTTWPQVXWFNV-VAWYXSNFSA-N 260.381 3.671 30 20 CHED CN(Cc1ccc2ccccc2c1O)CC(C)(C)C#N 816632224 ZCOWDAQYLXCPCF-UHFFFAOYSA-N 268.360 3.527 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1nc2cccc(C)c2[nH]1 489989076 OBLYNBRJYNWYLU-UHFFFAOYSA-N 299.418 3.522 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NNC[C@@H]1CCSC1 811657843 SIEYGIRNVKUEON-AWEZNQCLSA-N 294.439 3.723 30 20 CHED C=CCCCC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 480011457 HBIXZKHJWZUATO-DOTOQJQBSA-N 271.404 3.822 30 20 CHED N#CCCC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 570511489 SDVFSZJXKIWRJM-UHFFFAOYSA-N 293.754 3.768 30 20 CHED CC(CSC(C)(C)C)=NN[C@@H](C)COc1ccccc1 811667748 CGUQWMNTRCZONA-ZDUSSCGKSA-N 294.464 3.951 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 481598615 NHUBQILKHYXODM-KOMQPUFPSA-N 287.378 3.934 30 20 CHED C[C@@]1(C#N)CCCN(CCc2ccc(F)cc2Cl)C1 811489190 YZDHZIRMFXPNLM-HNNXBMFYSA-N 280.774 3.647 30 20 CHED CSC(C)(C)CC=NNCCCc1ccccc1 814837769 JYGRRBVIFLQMNF-UHFFFAOYSA-N 264.438 3.726 30 20 CHED CCC(=NNc1cccc(C)c1)c1ccc(F)cn1 814687416 HSEYSQDXPAAIEL-UHFFFAOYSA-N 257.312 3.755 30 20 CHED CCCCC[C@@H](NC(=O)CCCC#N)C(C)(C)C 812512731 WQVLCOMMUGUTAZ-CYBMUJFWSA-N 252.402 3.791 30 20 CHED C=C[C@@H]1CCCCN1c1cc(N2CCCC[C@@H]2C=C)ncn1 486498307 QDXXRCHLWMQPOD-IYBDPMFKSA-N 298.434 3.566 30 20 CHED C[C@H](NC[C@H](C)C(F)(F)F)c1ccc(C#N)c(F)c1 480665634 OSDDCLOUCPBLOG-IUCAKERBSA-N 274.261 3.546 30 20 CHED CCCCCCCC(=O)NCc1cc(C)nc(C)c1 817458720 JUVSAONTIGWHOM-UHFFFAOYSA-N 262.397 3.675 30 20 CHED COc1cc2ccnc(N3CCC(CC#N)CC3)c2cc1F 575353993 LNSDDFFBOKHHDS-UHFFFAOYSA-N 299.349 3.513 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)C(C)(F)F 579863914 DKDVHDVJAKLZLN-LLVKDONJSA-N 285.309 3.632 30 20 CHED C=CCN(Cc1cn2ccccc2n1)CC1CCCCC1 484625058 XUJPRTUGKGUXFX-UHFFFAOYSA-N 283.419 3.903 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)s1 487332631 IFACAIGVRBLOGU-OCCSQVGLSA-N 290.432 3.954 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)oc1C(F)(F)F 488824164 ZHOSAVSCHHUIOC-SNVBAGLBSA-N 287.281 3.788 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc2c(c1)CCC=C2 574479331 NINLXIPBPAWOJP-UHFFFAOYSA-N 274.323 3.770 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@H]2CCCC[C@H]2C)no1 576731943 OBXOSBCHXBMWOD-MFKMUULPSA-N 282.347 3.605 30 20 CHED C=CCC1(NCc2cc3ccncc3s2)CCOCC1 657634904 RUCYUIIRDFXYMW-UHFFFAOYSA-N 288.416 3.511 30 20 CHED CC/C(C)=C/C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 826689790 PMFNEQXJGYCESS-WJUDILCISA-N 282.387 3.641 30 20 CHED C#Cc1cccc(N(C(=O)C=C2CCCC2)C(C)C)c1 728246771 YKFBTZFTUBPGIV-UHFFFAOYSA-N 267.372 3.910 30 20 CHED C=CCn1c(=S)n(CN2CC[C@H](C)C2)c2ccccc21 725779668 UBZSRTVCSJPXBP-ZDUSSCGKSA-N 287.432 3.658 30 20 CHED N#CCCN(C(=O)[C@H]1CC12CCCC2)c1ccc(F)cc1 571732777 AIVBLQDQAQVBBN-OAHLLOKOSA-N 286.350 3.653 30 20 CHED CCOC(=O)Nc1ccc(Nc2ccc(C#N)c(C)n2)cc1 496747892 HTLSBUBFAWNXJQ-UHFFFAOYSA-N 296.330 3.574 30 20 CHED C=CCC1(CNCC2CCC3(CC2)OCCO3)CCCC1 825078939 GKJMRXQRQQUJNT-UHFFFAOYSA-N 293.451 3.646 30 20 CHED CCC[C@@H](/N=C/c1cc(OC)ccc1O)c1ccccn1 729148539 BPIHIDQSNSMHKJ-IYSPOMMRSA-N 284.359 3.756 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C#Cc1cccs1 825973088 NDVORUQSIKNHPZ-ZBFHGGJFSA-N 295.407 3.504 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1 728438797 OUVZQABHIYDKDJ-UITAMQMPSA-N 286.302 3.826 30 20 CHED C#CCCCCNC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 823295097 BXBISSQUJCZNGZ-QGZVFWFLSA-N 298.430 3.973 30 20 CHED C=CCCNC(=O)N1CCC(c2ccc(Cl)cc2)CC1 661570291 MDUFAYVPJOGMPP-UHFFFAOYSA-N 292.810 3.805 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc3c(c2)[C@@H](O)CCCC3)C1 827024279 BTKHSTZQDMHNKX-XUWXXGDYSA-N 284.403 3.941 30 20 CHED CC(CCc1ccccc1F)=NNc1cncc(Cl)n1 734093215 VNJMJCHYZSAMCU-UHFFFAOYSA-N 292.745 3.690 30 20 CHED C=C(C)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 490023865 FTDGUPNFIXFTHJ-UHFFFAOYSA-N 292.791 3.769 30 20 CHED C#CCN(C(=S)Nc1cccc(Cl)c1C)C(C)C 905651757 LFOYIVZXGDPCCJ-UHFFFAOYSA-N 280.824 3.689 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1cc2ccccc2o1 834995679 JZRIDZKCEHXTAH-VIFPVBQESA-N 270.254 3.697 30 20 CHED Cc1ccc2ncn(CCCCC3(C#N)CCC3)c(=O)c2c1 901470441 QIRPSWQRVPJGJO-UHFFFAOYSA-N 295.386 3.569 30 20 CHED CCN(C)c1ccc(/C=C\C(=O)c2ccc(F)cc2)cn1 588579487 QKEJLRNMCLTDCP-WMZJFQQLSA-N 284.334 3.573 30 20 CHED CCCCCCCCCC(=O)NC[C@@]1(C)CCOC1 733119878 BHOWQDDFICESCE-MRXNPFEDSA-N 269.429 3.670 30 20 CHED C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)C#CC1CC1 837431097 MBWKHGXNWDGKIM-HNNXBMFYSA-N 281.399 3.790 30 20 CHED C=CCC[C@H](N[C@H](C)CCC1CCCCC1)C(=O)O 901693371 SSKQYXUPLSTNSY-HIFRSBDPSA-N 267.413 3.744 30 20 CHED CCCC[C@@H](C)N(C)C(=O)c1ccc(Cl)c(C#N)c1 583786288 FMETVULVKAXCOA-LLVKDONJSA-N 278.783 3.862 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1=C(CC)OCCC1 839892586 YATLPSTVNUUZBF-MRXNPFEDSA-N 299.414 3.765 30 20 CHED CC1CCC(=CC(=O)Nc2ccc(C#N)cc2)CC1 734097766 ADAASJOTYTXIAV-UHFFFAOYSA-N 254.333 3.633 30 20 CHED CS[C@@H](C)CCOC(=O)c1ccccc1SCC#N 835663260 KTKKCNWMNAIUAP-NSHDSACASA-N 295.429 3.601 30 20 CHED Cc1ccc(CNN=Cc2c(C)nn(C(C)(C)C)c2C)cc1 835008088 FHHJUMQAGRDVTM-UHFFFAOYSA-N 298.434 3.687 30 20 CHED C[C@H](OC(=O)[C@@]1(C)CC=CCC1)c1cccc(C#N)c1 835130340 GFJKLNPTOMGKMM-GUYCJALGSA-N 269.344 3.909 30 20 CHED CC[C@H]1CCC1=NNc1cc(C(F)(F)F)ccn1 834984094 NNOPDGFPHQPROE-QMMMGPOBSA-N 257.259 3.688 30 20 CHED C#CCC[C@H](C)OC(=O)CCc1ncc(-c2ccccc2)o1 839034145 MWMMLBGLWQVBPV-AWEZNQCLSA-N 297.354 3.619 30 20 CHED C=C(Cl)CNC(=O)/C=C\c1ccccc1O[C@H](C)CC 736240927 UQUCMDRWOHEEIX-ASCRHOAZSA-N 293.794 3.746 30 20 CHED Fc1cc2nc(NN=C3CCc4ccccc43)[nH]c2cc1F 912825101 FBDWVTUPNWRBAS-UHFFFAOYSA-N 298.296 3.604 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 593401184 ZSTIMXFCRSOIMO-GHMZBOCLSA-N 298.308 3.775 30 20 CHED C=CCN(C(=O)Nc1ccccc1OCC)C(C)C 916707810 VOJVENXHCRJVTI-UHFFFAOYSA-N 262.353 3.514 30 20 CHED COc1cccc(NN=Cc2c[nH]c3cc(C)ccc23)c1 917541049 KSRYVOCZGWATOU-UHFFFAOYSA-N 279.343 3.931 30 20 CHED CN(CCC(C)(C)C)C(=O)c1cc(C#N)ccc1Cl 592685561 VCCXZOCHOXANEG-UHFFFAOYSA-N 278.783 3.720 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1sccc1Br 591659703 MOTPAMNXEWCTEJ-KXUCPTDWSA-N 299.237 3.853 30 20 CHED CCC(CC)[C@@H](CC/N=C\c1cccc(OC)c1O)OC 746521511 IRGIRVTXIILKNW-PWDRBQJJSA-N 293.407 3.661 30 20 CHED N#Cc1cccc(Cl)c1NCCNc1ccccc1 742408441 DKLLDSFBEZKWLJ-UHFFFAOYSA-N 271.751 3.736 30 20 CHED C[C@H]1CCC(=NNc2ccc(CC(=O)O)cc2)C[C@@H]1C 848413649 BBMCKLFMUQWUAA-RYUDHWBXSA-N 274.364 3.538 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)CC1(C#N)CCCCC1 596760940 XAUYFCCNRDYUCS-ZDUSSCGKSA-N 274.364 3.663 30 20 CHED FC(F)(F)Sc1ccc(C=NNc2ncccn2)cc1 912974231 PFIFKSXSWLMYBR-UHFFFAOYSA-N 298.293 3.535 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCc2ccc(C)cc21 592550226 PWNCNESNUHRDJF-INIZCTEOSA-N 272.392 3.590 30 20 CHED Fc1ccc2oc(C=Nn3cnc4ccccc43)cc2c1 741759264 KRIGJTQQOYCXIO-UHFFFAOYSA-N 279.274 3.804 30 20 CHED COc1cccc(-c2noc(CC3(C#N)CCCCC3)n2)c1 594732054 MNIZWKFZOWVKIA-UHFFFAOYSA-N 297.358 3.762 30 20 CHED CC#CCNc1ccc(C(F)(F)C(F)(F)F)cc1 678932032 PGWUATUOQYHABM-UHFFFAOYSA-N 263.209 3.776 30 20 CHED CCC1(CC)CCC(NC[C@H](O)CC(C)(C)C#N)CC1 598723770 KERPFIJHGVYBIL-OAHLLOKOSA-N 280.456 3.626 30 20 CHED CCOc1cccc(/C=N/[C@@H]2C[C@H]2Cc2ccccc2)c1O 741463615 HINGMIAILOUCKB-JVCUKQJDSA-N 295.382 3.841 30 20 CHED CCCC[C@H](CC)CNC(=S)N1CCC[C@H](CC#N)C1 849272526 MQMXVYGDTULEBE-LSDHHAIUSA-N 295.496 3.703 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)C1CCC1)c1ccccc1 677587624 CFRJVOLOBZRXSI-ZIAGYGMSSA-N 257.377 3.651 30 20 CHED C=CCN(Cc1ccc(OC(F)F)cc1)C(C)C 918739242 HAVRFRPTVPRYSG-UHFFFAOYSA-N 255.308 3.684 30 20 CHED C=CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 599680728 BWQAUVROGNVQSM-LBPRGKRZSA-N 289.444 3.911 30 20 CHED CCCCCCCCn1cnc2cc(F)ccc2c1=O 915670607 BCKYLVXQXNHXMY-UHFFFAOYSA-N 276.355 3.896 30 20 CHED CCN(CCO)N=C1CCC[C@@H](c2cccc(Cl)c2)C1 842538639 NDDCUPUYPRTHJU-CQSZACIVSA-N 294.826 3.668 30 20 CHED CC[C@@H](OCCN1CCC[C@@H](CC#N)C1)c1ccccc1 595622881 FHXZHAREMSKOGT-FUHWJXTLSA-N 286.419 3.780 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)COc2ccc(F)cc21 749005453 KBQRSXNRABCNIV-BJMVGYQFSA-N 289.693 3.533 30 20 CHED CCC(=NNc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 741162420 DSNVZNIYJUUJJQ-UHFFFAOYSA-N 267.716 3.836 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1ccc(F)cc1 746377979 WQDPBCXFHSUZMI-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED Cc1ccc(F)cc1NCCCOc1ccc(C#N)cc1 917805410 AFEMZSXUOYAFOL-UHFFFAOYSA-N 284.334 3.887 30 20 CHED C[C@H](CCCC(F)(F)F)N=c1[nH]c(C#N)c(Cl)s1 596209932 JSPFQEAKOOZLES-ZCFIWIBFSA-N 297.733 3.623 30 20 CHED C=C(C)CCOC(=O)CCOc1ccccc1Cl 744303840 ZUJJNQBTYDWILU-UHFFFAOYSA-N 268.740 3.618 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 590748554 FVJUQFFXBHAFFH-WMLDXEAASA-N 284.403 3.734 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2[C@@H](C)CCC[C@H]2C)c1 747968930 ACSKYXZKNVCAHZ-VIKVFOODSA-N 270.376 3.614 30 20 CHED C=C[C@H](C)ON=C(C)c1sc(-c2cccnc2)nc1C 844626115 YBLHHXUMJRLPQF-JTQLQIEISA-N 287.388 3.829 30 20 CHED CC(=NOCC(C)C)c1sc(C(C)C)nc1C 749631784 QQZHAYRQUYDADS-UHFFFAOYSA-N 254.399 3.972 30 20 CHED CC1(C)Cc2ccccc2N(C[C@H](C#N)CCC#N)C1 590006506 IBIZIFSYLGKPAQ-AWEZNQCLSA-N 267.376 3.519 30 20 CHED C#CCCCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 742785837 IROZWLDRASCDAN-UHFFFAOYSA-N 297.398 3.937 30 20 CHED COCC[C@@H](Nc1ccc(C#N)cc1C)c1ccc(C)o1 846754242 KCLZASWLONIXCZ-MRXNPFEDSA-N 284.359 3.958 30 20 CHED CO[C@H](CNc1ccccc1O[C@H](C)C#N)c1ccccc1 841703452 VSZSATWKNCILKI-RDTXWAMCSA-N 296.370 3.777 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C2CCCC2)CC1 742423419 QAZXWEVVTVJHKZ-UHFFFAOYSA-N 299.374 3.873 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cccc2cc[nH]c12 926293342 WJVSPIBMNPIDQY-GFCCVEGCSA-N 255.365 3.586 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)COc2ccc(F)cc21 755591411 BDGQLISVUDIKNA-KMKOMSMNSA-N 290.240 3.763 30 20 CHED C[C@@H](N[C@H](C#N)c1ccccc1)c1ccc(N(C)C)cc1 851950726 RHQKZZUFRMVHMM-RDTXWAMCSA-N 279.387 3.668 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2cc(C)ccc2OC)c1 757468649 UMNHESWKSWCRBY-FNORWQNLSA-N 298.338 3.614 30 20 CHED C[C@@H]1CCCC1=NNc1nc(C(F)(F)F)cs1 755902197 AMYLVVSNWNLNAB-ZCFIWIBFSA-N 263.288 3.750 30 20 CHED C=CC(C)(C)CCOC(=O)c1csc([C@H]2CCCO2)n1 851299765 YSWSJWZZWYEVKI-GFCCVEGCSA-N 295.404 3.754 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCC=C(Cl)Cl 853784617 TUXQZIOOMNLYNZ-SNVBAGLBSA-N 294.247 3.628 30 20 CHED CC(C)C#CC(=O)Nc1ccc2ccn(C(F)F)c2c1 855529284 IZNRHCZYNWFOBG-UHFFFAOYSA-N 276.286 3.634 30 20 CHED C=CCCCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 754981270 BMDXCEIFHGYOCA-UHFFFAOYSA-N 287.674 3.510 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H](Cn1cccn1)c1ccccc1 925126532 BKGWBMVZHAVJAR-WBVHZDCISA-N 296.418 3.542 30 20 CHED COc1cc(C(=O)/C=C/c2c(C)cccc2C)ccc1O 755579050 KQLYQOFLJSTBRC-CSKARUKUSA-N 282.339 3.914 30 20 CHED CC/C(=C/C(=O)N(C1CC1)[C@H](C)C#N)c1ccc(C)cc1 855582605 LBVNDHOVNLWWJM-ADVGAGMGSA-N 282.387 3.692 30 20 CHED C(=NNc1nc2ccccc2[nH]1)[C@H]1CCc2ccccc21 755487421 DVULRWYMWJKLIQ-CYBMUJFWSA-N 276.343 3.691 30 20 CHED Clc1cnc(NN=C2CC[C@@H](c3ccccc3)C2)nc1 857220698 LSBMSCYCBPVRTP-GFCCVEGCSA-N 286.766 3.866 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 850335376 PNORFXHCMIVTSH-DLBZAZTESA-N 285.387 3.882 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H]2C[C@H]2c2ccccc2)o1 755675531 YQXJABPMFNRZBV-KGLIPLIRSA-N 294.358 3.871 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](CCOC(=O)C2(C#N)CCC2)C1 757076451 MDDQUQBKIDURAU-WDNDVIMCSA-N 263.381 3.686 30 20 CHED CCN(C(=O)Nc1ccc(C#N)cc1)C1CCCCC1 47544901 WYLOMJHXTRHRKE-UHFFFAOYSA-N 271.364 3.745 30 20 CHED CC(C)(C#N)CCCSC1CN(C(=O)OC(C)(C)C)C1 865385084 BJJWPHIAFHUWNV-UHFFFAOYSA-N 298.452 3.669 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2cccc(C(=O)O)c2)C1 768358448 VQBNKJMCASBKRO-NWDGAFQWSA-N 260.337 3.609 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1cc(F)cc2ccoc12 931304609 ULGNQHWSMAOPLF-INIZCTEOSA-N 288.322 3.630 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc2c(c1)OCO2 769828030 PDWCTVMUSYOPEX-UHFFFAOYSA-N 286.306 3.699 30 20 CHED C#C[C@@H](OC(=O)c1cc(C)n(C(C)C)n1)c1ccc(C)cc1 860962962 MFWVYPAPEWKUFG-QGZVFWFLSA-N 296.370 3.612 30 20 CHED CC(C)C[C@H]1CN(C)CCN1CCCCC1(C#N)CCC1 933256976 QIHIGMYKJQJSRF-KRWDZBQOSA-N 291.483 3.513 30 20 CHED C=CCN(C(=O)c1ccc(Cl)c2occc12)C1CC1 935224095 HVWDZSPBQPDLJR-UHFFFAOYSA-N 275.735 3.877 30 20 CHED CCc1nc(C)cn1Cc1ccccc1C(C)(C)C#N 865393438 WDLFEDVEMDONRO-UHFFFAOYSA-N 267.376 3.603 30 20 CHED CC(C)CCCCOC(=O)Cc1cccc(OCC#N)c1 860894580 AFCCZRILVSTBBZ-UHFFFAOYSA-N 289.375 3.501 30 20 CHED Cc1ccc(C)c(C(=O)Oc2ccc(C#N)cc2F)c1 769739216 BWBXSHHXSZIPFH-UHFFFAOYSA-N 269.275 3.533 30 20 CHED CC(Cc1ccncc1)=NNc1cc(C)ccc1F 767793172 WDKOWDBHVCJSIC-UHFFFAOYSA-N 257.312 3.560 30 20 CHED C=C[C@@H](CC)CC(=O)N(c1nc(C)cs1)C1CC1 933936787 NSYJCQMMWCRKQD-NSHDSACASA-N 264.394 3.549 30 20 CHED CCCCCCCN1CCO[C@@H](c2cccc(C#N)c2)C1 761759527 DUOXILOHSSXYJZ-GOSISDBHSA-N 286.419 3.902 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc2occc2c1 860750743 IAYUOCCFCLPFEY-UHFFFAOYSA-N 271.316 3.806 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cccc(OC)c1OC 766771316 CBUSXWRFWXYGQO-HJWRWDBZSA-N 297.354 3.557 30 20 CHED CC[C@@H](C(=O)OCCCC#N)C1CCC(C)CC1 764628847 MZCUESCNEBSLMH-JXQTWKCFSA-N 251.370 3.686 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 1116810771 CWILHYVMZVQOIA-MAZHCROVSA-N 260.356 3.949 30 20 CHED CS/C=C\C(=O)N(Cc1ccco1)c1ccccc1C#N 764228551 IABAUKKUTPDPKR-NTMALXAHSA-N 298.367 3.561 30 20 CHED C=C(C)CCOC(=O)[C@@H](CC)OC1CCCCC1 761236718 UZOVWGQFOBSEDL-CQSZACIVSA-N 254.370 3.624 30 20 CHED CCCCCCCOc1ccc2c(c1)CN(C)C2=O 768303245 NCXDEXVURYVLMD-UHFFFAOYSA-N 261.365 3.621 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccccc1F 767359369 HIGLYKNEUZAKEL-UHFFFAOYSA-N 267.307 3.620 30 20 CHED C=CC[C@@H]1N(Cc2ccc(Cl)nn2)CCCC1(C)C 877480214 NOMCZOLZVXFRKB-ZDUSSCGKSA-N 279.815 3.697 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc2nonc12)c1ccccc1 773383518 MXCUHZRLLDTOAA-LBPRGKRZSA-N 293.326 3.521 30 20 CHED C#CC[C@H](N[C@H](C)Cc1ccccc1OC)c1ccccc1 773114786 JYZMEARDSXRTGC-APWZRJJASA-N 293.410 3.980 30 20 CHED C[C@@H](CCC#N)CNc1cnn(-c2ccccc2Cl)c1 877118176 PPYURWFLXUBTKI-LBPRGKRZSA-N 288.782 3.877 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@@H]1CCCOC1 777077012 XLTDOCCSSKGOBF-CYBMUJFWSA-N 292.400 3.548 30 20 CHED CCCCCCCOC(=O)c1ccc(C(C)=O)o1 773685605 AENVXYXUMSCAFJ-UHFFFAOYSA-N 252.310 3.609 30 20 CHED C=CCCCCNC(=O)C(F)(F)c1ccccc1OCC 770081162 GCRQCYWBPZIPBL-UHFFFAOYSA-N 297.345 3.650 30 20 CHED Cc1nc(Sc2snc(Cl)c2C#N)sc1C 771222988 AQJSWDGISPVCEM-UHFFFAOYSA-N 287.822 3.893 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@@H]1CCCC(F)(F)C1 1122882571 KKJMOVHWVVGGCV-LLVKDONJSA-N 273.323 3.685 30 20 CHED Cc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)c(N)cc1F 784657884 ITVRVYMVFCMJFX-LLVKDONJSA-N 298.317 3.506 30 20 CHED C[C@@H](c1ccccc1)N1CCN(CCCC(C)(C)C#N)CC1 880248702 XNVGYAVIEFQROT-KRWDZBQOSA-N 299.462 3.695 30 20 CHED Cc1ccnc(N[C@H]2CCCc3cn(C(C)C)nc32)c1C#N 784167281 DDNXXDYODUFZRN-HNNXBMFYSA-N 295.390 3.529 30 20 CHED CCC(Cc1cccs1)=NN[C@@H]1CCOC(C)(C)C1 780248898 BELATJDOQYWSTO-CYBMUJFWSA-N 280.437 3.604 30 20 CHED C=CCCNC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 880669265 GKXWSNHIAUZZJL-UHFFFAOYSA-N 285.309 3.675 30 20 CHED C#CCC1(C(=O)N(C)C2CCCCC2)CCCCC1 788422601 ZHDRWOAZESNHKJ-UHFFFAOYSA-N 261.409 3.751 30 20 CHED CC(C)(C#N)CC(=O)OCc1ccccc1C(F)(F)F 785078430 QCZSMLFBJDHWMH-UHFFFAOYSA-N 285.265 3.688 30 20 CHED C=CCC1(C(=O)NN2CCC(C(C)(C)C)CC2)CCC1 788172663 LLFRDYXYLBGQRA-UHFFFAOYSA-N 278.440 3.522 30 20 CHED N#Cc1sccc1C(=O)Nc1ccc(-c2ncco2)cc1 1127172789 JANJJCQDKXFMKW-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1cccc(O[C@@H](C)C(=O)OCCCC(C)(C)C#N)c1 782371402 HBKNBQFNGOETQR-AWEZNQCLSA-N 289.375 3.636 30 20 CHED Cc1cc(/C=C/C(=O)c2ccnc(Cl)c2)cc(C)c1O 782184684 MUUVNPYWDJKPBP-ONEGZZNKSA-N 287.746 3.954 30 20 CHED N#C[C@@H](NC(=O)c1cc2ccccc2s1)C1CCCC1 893703822 AHLUAYXLJSZVMB-CYBMUJFWSA-N 284.384 3.713 30 20 CHED CC1(C)CCC1=NNc1ccc(Cl)c(C(=O)O)c1 788941634 ZJYYUOBNWRTMTF-UHFFFAOYSA-N 266.728 3.626 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)[nH]c2C)cc(C)c1Cl 1138847054 GYQVNTWEWSSTIE-UHFFFAOYSA-N 287.750 3.717 30 20 CHED Cc1ccc(C)c(C(=O)OCCCC(C)(C)C#N)c1 782022404 SOFUKEPPHFPTAN-UHFFFAOYSA-N 259.349 3.790 30 20 CHED C=CCCCOC(=O)c1ncsc1-c1ccccc1 782380089 CSCMPWHQUJVRAM-UHFFFAOYSA-N 273.357 3.933 30 20 CHED CCOc1ccc(C=NOCCC(F)(F)F)cc1F 782283689 RZKCETLFNPLZOC-UHFFFAOYSA-N 279.233 3.527 30 20 CHED C#CCCCCCC(=O)Nc1cc(C2CCCC2)nn1C 781921241 REDLOGRJMCHYLD-UHFFFAOYSA-N 287.407 3.600 30 20 CHED C#CCCCCCCNc1cccc([S@@](C)(=O)=NC)c1 895731525 IONKIGNBVYYZLE-HXUWFJFHSA-N 292.448 3.769 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1CC(C)C 1137526034 SKJKHESQLJLLOE-ZIAGYGMSSA-N 285.391 3.611 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1csc(C=O)c1 792531701 PHGKGLJLHUHILV-UHFFFAOYSA-N 299.395 3.779 30 20 CHED N#CCCN(Cc1ccco1)Cc1ccc(F)cc1Cl 78666580 JBFWUTJVANLKOT-UHFFFAOYSA-N 292.741 3.988 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C/c1ccc(F)c(C#N)c1 799898486 ZZQVXZDMKLPJPF-RIYZIHGNSA-N 292.313 3.807 30 20 CHED N#CCC1(COC(=O)[C@@H](F)CC2CCCCC2)CC1 796734390 SIMKMDBUJDMYLU-ZDUSSCGKSA-N 267.344 3.532 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(Oc3ccccc3)n2)C1 897922299 PTNWCLFPIHHGPT-UONOGXRCSA-N 279.343 3.978 30 20 CHED C=CCC(C)(C)C(=O)OCc1cnn(Cc2ccccc2)c1 796462126 WXPJSPKYUPSOAS-UHFFFAOYSA-N 298.386 3.577 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1cnoc1C 799484553 FSRDOBGFJUUHGN-QGZVFWFLSA-N 285.391 3.564 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2C=CCCCCC2)cc1 793400517 IVMROWVLVSYGCH-HNNXBMFYSA-N 255.317 3.604 30 20 CHED COc1ccc(Cl)cc1/C=C/C(=O)c1ccnc(F)c1 794720043 PHUDFAOMXLIRAS-DUXPYHPUSA-N 291.709 3.779 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccnc(F)c2)cc1F 794721402 KDGWHPFHIPJGBJ-SNAWJCMRSA-N 259.255 3.564 30 20 CHED COc1cc(N=Cc2ccccc2O)c(C)cc1C 794848569 QZQUIILSSCBTMF-UHFFFAOYSA-N 255.317 3.768 30 20 CHED C(=NNc1cnnc2ccccc12)c1ccc2occc2c1 794912842 MXTFOSJCRFUCEW-UHFFFAOYSA-N 288.310 3.822 30 20 CHED COc1cc(F)c(C(C)=NN[C@@H](C)C(C)(C)C)cc1OC 793112787 XDPOYOXNFRZRFA-NSHDSACASA-N 296.386 3.591 30 20 CHED CC(C)[C@H](C=NNc1cncc(Cl)n1)c1ccccc1 794492694 XQGNBYQFFDYNQQ-ZDUSSCGKSA-N 288.782 3.968 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@@H](C)CCCC 799947815 OVWDNHBAIHBGGH-LBPRGKRZSA-N 277.339 3.603 30 20 CHED C=CCC1(NCc2csc(C(=O)OC)c2)CCCC1 595780141 IYQAJGSAMVAEOF-UHFFFAOYSA-N 279.405 3.513 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1cccc(CC)c1 798375583 KOXJNQLLKHQDKX-ZDUSSCGKSA-N 262.422 3.890 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@H](O)c1ccc(C)cc1 797064318 TUMUCNZJPZSWTJ-JKQORVJESA-N 261.409 3.607 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)[C@H]1CCC(F)(F)C1 796374784 CHYSVYTZIZVGAQ-LBPRGKRZSA-N 298.716 3.670 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1ccnc(O)c1 790286641 CKKHQSPOARSDOI-CYBMUJFWSA-N 297.402 3.985 30 20 CHED CCc1cccc(C)c1NN=C1CCC12CCOCC2 799888705 RKDIQJXBKBQNMF-UHFFFAOYSA-N 272.392 3.916 30 20 CHED C[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CS1 591192101 OAHGTBGCKYUCIF-ZYHUDNBSSA-N 275.421 3.557 30 20 CHED N#Cc1cc(F)cc(NCc2cc(Cl)ccc2O)c1 718617676 JPVLDTMEODHZLD-UHFFFAOYSA-N 276.698 3.668 30 20 CHED COc1cc(C=NNc2ccc(C)c(Cl)c2)ccc1O 1084063341 TVEOIVPSXMYTIB-UHFFFAOYSA-N 290.750 3.809 30 20 CHED Cc1ccc(C)c(-n2ccnc2S[C@H](C#N)C2CC2)c1 1307270867 LIYYUJQXWDSMGG-OAHLLOKOSA-N 283.400 3.883 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1Nc1c(C#N)nnc2ccccc12 1163669112 XKRDHWXYCFQIMH-SMDDNHRTSA-N 280.375 3.738 30 20 CHED CCS[C@H]1CCCC[C@H]1Nc1cccc(CC#N)n1 1325710605 UKIGJEZXCBSFSY-KGLIPLIRSA-N 275.421 3.624 30 20 CHED C[C@@H](Cc1ccccc1Cl)Nc1cccc(CC#N)n1 1325710645 VILLYQUKOWUXIL-LBPRGKRZSA-N 285.778 3.844 30 20 CHED C[C@@H]1CCC[C@]1(C)c1nnc(COc2ccccc2C#N)o1 1326969866 GSRXWJCEGKEVCH-PXAZEXFGSA-N 297.358 3.598 30 20 CHED C=CCC1(c2nc([C@H](N)c3ccccc3)no2)CCCCC1 1326207560 ITBZSLOSWGCGFB-OAHLLOKOSA-N 297.402 3.896 30 20 CHED N#Cc1ccccc1OCc1nnc([C@H]2CC23CCCC3)o1 1322089129 RYZMNZWTTMRORZ-CYBMUJFWSA-N 295.342 3.568 30 20 CHED C=CCCO[C@H](C)c1nnc(-c2ccc(CC)cc2)o1 1322664060 XRJYILNMDUJVQI-GFCCVEGCSA-N 272.348 3.953 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)CC#Cc2ccccc2)C1 1323873655 YYMFRMJZFXQFNP-ZWKOTPCHSA-N 283.415 3.759 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(c2cccc(CC#N)n2)C1 1258172089 FEVDXFDOWCQDEP-YOEHRIQHSA-N 277.371 3.735 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1coc(SC)c1 1337549878 FPWQCNQERWBMBQ-GFCCVEGCSA-N 265.378 3.572 30 20 CHED COc1cccc(CNc2ncc(C#N)cc2Cl)c1C 1187108104 JTHSGRFXUXOJOD-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1C(=O)NC(C)(C)C 1335742478 FSZSLZCGZBLVGI-UHFFFAOYSA-N 288.391 3.510 30 20 CHED C#CC[C@H](OC(=O)c1oc(C2CC2)nc1C(F)F)C(C)C 1347378924 BJHASFMUYQBGNV-JTQLQIEISA-N 297.301 3.694 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)C1CCCCCC1 1268837536 XSUIVUOHEXMKDU-LLVKDONJSA-N 276.405 3.708 30 20 CHED C=C(Cl)CN1CCc2cccc(C(F)(F)F)c2C1 1196707297 LAYJAMDREOETNM-UHFFFAOYSA-N 275.701 3.816 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 1346145407 ASVMBGYSFFHDFD-OAHLLOKOSA-N 297.402 3.633 30 20 CHED CC(C)(Cc1ccccc1)C(=O)[C@H](C#N)c1cccc(F)n1 1342643925 UXJXDAWHBOQHTR-CQSZACIVSA-N 296.345 3.666 30 20 CHED N#C[C@@H](C(=O)C[C@@H]1CCc2ccccc21)c1cccc(F)n1 1342641017 KXBINQSKCDYDER-DZGCQCFKSA-N 294.329 3.517 30 20 CHED Cc1ccc(C(=O)N2CCCCC[C@@H]2C(C)C)cc1C#N 1435703126 LFBXGHAORBXMPM-QGZVFWFLSA-N 284.403 3.908 30 20 CHED C[C@H](C(=O)N[C@H](C#N)C1CCCC1)c1cccc(Cl)c1 1350304430 IBZYOJYVBBNTIB-XHDPSFHLSA-N 290.794 3.642 30 20 CHED N#Cc1cccc(CC(=O)Nc2c(F)cccc2Cl)c1 1515330898 PFLODWVFXYTFNW-UHFFFAOYSA-N 288.709 3.532 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H]2CCC[C@@H](C)C2)c1C#N 1458140369 ZSQATVLQPPFUBM-PWSUYJOCSA-N 277.799 3.930 30 20 CHED Cc1ccc(F)cc1OCc1cccc(C#N)c1F 222017065 PVMGPUFLLBJXSK-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@@H](OC2CCC2)C1)c1ccccc1 1528592373 FJRQVQHDBSYVCQ-QZTJIDSGSA-N 299.414 3.516 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(C)c(F)c1 1520963925 OVXWIYQXOSTIBF-KRWDZBQOSA-N 296.345 3.887 30 20 CHED Cc1nc(C(=O)Nc2ccc(Cl)cc2C#N)sc1C 1528631698 HRIPHMFLHNNFJI-UHFFFAOYSA-N 291.763 3.537 30 20 CHED N#Cc1ccsc1C(=O)Nc1c(F)cccc1Cl 1458880866 SZJFQISTRNUISS-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)c1cc(C)oc1C 1609556986 XVEWPFPTCCDXKW-UHFFFAOYSA-N 290.294 3.570 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1ccccc1CC(=O)O 1602855617 VTYMJZCWYJQAJB-WMLDXEAASA-N 287.403 3.538 30 20 CHED N#CC1(CCSc2nc(C(=O)O)cs2)CCCCC1 1608174715 AUKULLUJNZHQID-UHFFFAOYSA-N 296.417 3.798 30 20 CHED CC(C)[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1 112675896 OHJDFOAJDBOORO-DLBZAZTESA-N 256.393 3.863 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(=O)O)o2)c(C)s1 1600075936 UPKKOJJFKSVZQL-HYXAFXHYSA-N 276.313 3.552 30 20 CHED CSCCCC=NNc1ccc(C(=O)O)c(Cl)c1 1607397621 QPIAGVOPEDNEFI-UHFFFAOYSA-N 286.784 3.579 30 20 CHED N#CCC1(CN2CCC[C@H]2/C=C\c2ccccc2)CC1 1620628643 RWQCBDNQQUPCBN-JJEJIETFSA-N 266.388 3.858 30 20 CHED Cc1ccc2c(c1)OCCN2Cc1ccc(C#N)cc1C 1559578547 ZMPUOCLFVURWDX-UHFFFAOYSA-N 278.355 3.574 30 20 CHED Cc1cc(C)c(/C=C/CN2CC[C@@](F)(C#N)C2)cc1C 1560757725 SUMILRLKBQSQHF-LAQIPUCWSA-N 272.367 3.563 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)c1ccccc1 1562531609 JNSBJKZQPZXNOK-ZDUSSCGKSA-N 295.342 3.646 30 20 CHED CC(C)C(CNC(=O)Nc1ccc(C#N)c(F)c1)C(C)C 1562909018 HMMFFPTWTPLFDR-UHFFFAOYSA-N 291.370 3.747 30 20 CHED CC[C@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@@H](CC)O1 1646287410 OATUODDYYWZMGO-IYBDPMFKSA-N 292.810 3.601 30 20 CHED N#Cc1ccc(F)cc1CN1CCC[C@@H]2CCCC[C@@H]21 229956761 VDNABBHORNTQNM-GUYCJALGSA-N 272.367 3.852 30 20 CHED CCCC[C@@H](CC)COC(=O)CS[C@@H](C#N)C1CC1 1656237101 LELQCUJNIQYFKE-OCCSQVGLSA-N 283.437 3.781 30 20 CHED CC[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1C 1585515922 JGNMKBDSXXBOBG-BFYDXBDKSA-N 284.403 3.721 30 20 CHED C=CC[C@@H](Sc1cc(C)ccc1Cl)C(=O)O 1588758418 FWESNRYYSVBXJA-SNVBAGLBSA-N 256.754 3.770 30 20 CHED CC(C)c1ccc(C(=O)/C=C/c2cc(C(=O)O)n(C)c2)cc1 1591943380 IBYJLOWBMPUKEQ-RUDMXATFSA-N 297.354 3.743 30 20 CHED CCC[C@H](NC(=O)Nc1ccc(C#N)cn1)c1ccccc1 1672082493 MOONKLAOPRBGKW-HNNXBMFYSA-N 294.358 3.616 30 20 CHED C=CCC(C)(C)CCNc1ccc([N+](=O)[O-])c(C(=O)O)c1 1776150782 QNXBSEHNIMSOJV-UHFFFAOYSA-N 292.335 3.697 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)c1ccc(C(=O)O)o1 1776180796 FOYFLZGUJKXVPH-ZDUSSCGKSA-N 285.343 3.727 30 20 CHED N#CCc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1 134778328 LGLNTDZERNVCMM-UHFFFAOYSA-N 288.709 3.797 30 20 CHED N#Cc1ccc(CNCC2(Cc3ccccc3)CC2)cc1 158896062 XPNJKQYOYIGSBI-UHFFFAOYSA-N 276.383 3.671 30 20 CHED CCc1noc(C)c1CSCc1ccc(C#N)cc1F 160072382 DKYXKQLDXICIHA-UHFFFAOYSA-N 290.363 3.990 30 20 CHED N#CCOc1ccc(N[C@H]2CCc3cc(F)ccc32)cc1 165281107 JXEPQGSNGLDEPG-KRWDZBQOSA-N 282.318 3.827 30 20 CHED O=C1/C(=C/c2ccc(O)cc2)Cc2ccc(Cl)cc21 200028893 SJKCEQWYKDVNMY-KPKJPENVSA-N 270.715 3.868 30 20 CHED Cc1ccc2ncc(/C=C3/Cc4c(C)cccc4C3=O)n2c1 151424685 PPAPCKFBFWEBLX-ZSOIEALJSA-N 288.350 3.774 30 20 CHED CC#CCCSCc1ccc(C(=O)N2CCCC2)cc1 154919922 MDKXCPMJVAPWPC-UHFFFAOYSA-N 287.428 3.569 30 20 CHED CC1=C(C)C[C@H](C(=O)N(CCC#N)CC(C)C)CC1 843776946 WSNAXSFRYOZKRC-OAHLLOKOSA-N 262.397 3.521 30 20 CHED CC(C)(CCC#N)CNCc1ccc(OC(F)F)cc1 135130627 NFHUKFWJXJECHX-UHFFFAOYSA-N 282.334 3.708 30 20 CHED CN(C(=O)CC1CCCCCC1)c1cccc(C#N)c1 135803395 UEVXLMPEGYCQQG-UHFFFAOYSA-N 270.376 3.882 30 20 CHED COc1cc(N[C@@H](C)c2ccc(C#N)cc2)ccc1F 160116636 DCIRJISNVHYBTL-NSHDSACASA-N 270.307 3.879 30 20 CHED CC(C)(C)c1noc(CNc2ccc(C#N)cc2Cl)n1 268941981 GCEBWVIUZGAEGS-UHFFFAOYSA-N 290.754 3.504 30 20 CHED Cc1ccc(C#N)c(Sc2ccc3c(c2)CCC3)n1 43400817 OTSGMPTVFZBJJF-UHFFFAOYSA-N 266.369 3.902 30 20 CHED C=CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)C(C)C 43567360 KBTBXVNSMNGOBB-UHFFFAOYSA-N 289.272 3.881 30 20 CHED Cc1cccc(CCN[C@@H](C)c2ccc(C#N)cc2)c1 51668777 JUSCTNXFSOIXTL-HNNXBMFYSA-N 264.372 3.760 30 20 CHED C[C@@H](CC(C)(C)O)Nc1ccc(C(F)(F)F)cc1C#N 294982958 MDNGAJSNYDHOEU-VIFPVBQESA-N 286.297 3.538 30 20 CHED N#Cc1sc(N2CC[C@@H]3CCCC[C@H]3C2)nc1Cl 311136430 KMHFUDOEWPDLHZ-UWVGGRQHSA-N 281.812 3.685 30 20 CHED C=CCCCCCCNCc1cccc(OC)c1O 312115464 PJLBIRJSGXSQLW-UHFFFAOYSA-N 263.381 3.627 30 20 CHED CC(C)[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCS1 439455392 UIUQLHQKLVOWSF-OAHLLOKOSA-N 294.851 3.785 30 20 CHED Cc1nc(N2CCC[C@@H](C(C)(C)C)C2)ccc1C#N 487721181 OVNWKVXIALKZMV-CQSZACIVSA-N 257.381 3.524 30 20 CHED C=C(C)CNC(=S)Nc1ccc2ccccc2c1 7522946 URAOKHROLGKLCE-UHFFFAOYSA-N 256.374 3.702 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1Cl 116933812 ZJUYJZMPKBFKRI-QWRGUYRKSA-N 266.772 3.665 30 20 CHED CCn1cc(/C=C/C(=O)c2oc3ccccc3c2C)cn1 111998612 GGJKUUNQYJRWLN-CMDGGOBGSA-N 280.327 3.854 30 20 CHED CO[C@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 175808574 WYABXSXRXARDGY-GUYCJALGSA-N 295.338 3.550 30 20 CHED CSc1ccc(Cl)c(C(=O)O[C@H]2CC[C@H](C#N)C2)c1 179945595 ZRHLZFMAQDRSHR-UWVGGRQHSA-N 295.791 3.911 30 20 CHED C=C(C)COC(=O)c1cccnc1Sc1ccccc1 58833148 AMJVYQOOONEIGK-UHFFFAOYSA-N 285.368 3.966 30 20 CHED C=C(Cl)CN(C)[C@H]1CCCc2nc(CC)sc21 133412474 ARNXTNNFTJJCLM-NSHDSACASA-N 270.829 3.767 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)Nc1ccccc1C#N 115972499 VMOIZPLXVIUVNI-CQSZACIVSA-N 278.355 3.999 30 20 CHED CCCCCC[C@@H](C)C(=O)NC1(C#N)CCCCC1 173372202 RSPBWCHDNQDPJS-CQSZACIVSA-N 264.413 3.936 30 20 CHED O=C1C(=Cc2cc(Cl)ccc2F)C(=O)c2ccccc21 178876689 YAIUFSGOYKNKGX-UHFFFAOYSA-N 286.689 3.942 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1ccsc1 61363497 KZKNWDRNWKCCTI-JTQLQIEISA-N 260.337 3.610 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)CCC[C@@H]1C 175745364 LVXNVXOZQAHCGT-OCCSQVGLSA-N 285.391 3.909 30 20 CHED C=CCCCC(=O)OCc1cnc(-c2cccs2)o1 175725137 WHUKZGHWMJIFBT-UHFFFAOYSA-N 277.345 3.803 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)c(OC(F)F)c1 119854659 VEMOTPFNZYGQMF-UHFFFAOYSA-N 281.302 3.729 30 20 CHED Cc1ccc(N/C(N)=N/CCc2ccccc2C)cc1C 303786269 RCUATLABNLJQOP-UHFFFAOYSA-N 281.403 3.581 30 20 CHED Cc1cccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1C 116813955 LDRDZWFVSVRPST-PXAZEXFGSA-N 270.376 3.506 30 20 CHED C[C@@H](Nc1nnc(C(C)(C)C)s1)c1cccc(C#N)c1 301740627 DPUOVYZRFUCMHY-SNVBAGLBSA-N 286.404 3.880 30 20 CHED COc1cc(N[C@H](C)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] 301199599 PNONRYXCGSHCKN-LLVKDONJSA-N 297.314 3.648 30 20 CHED Cc1ccc(N2CCN(c3ccc(C#N)cc3)CC2)cc1C 301828070 FZIYXWQOOQSXOZ-UHFFFAOYSA-N 291.398 3.502 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(C)c1C 116973772 KIBRGFQIZYTQRS-JSGCOSHPSA-N 260.381 3.628 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H](C)c2c(C)noc2C)c1 302143870 QFQFWVSGTHOGCG-SNVBAGLBSA-N 297.358 3.581 30 20 CHED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cccs1 301209909 SJPJEZJRXXDMLQ-MRVPVSSYSA-N 263.753 3.841 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CC=CCC1 69240304 OGHGKNCASVSYCR-CQSZACIVSA-N 290.432 3.802 30 20 CHED CCCN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 66955082 PTRBWXGRNRFQLR-GFCCVEGCSA-N 291.420 3.955 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 178799992 NMGQUZAQZJTYRA-DZKIICNBSA-N 287.407 3.765 30 20 CHED CCC[C@H](C(=O)OCC#Cc1ccccn1)c1ccccc1 1343695411 VIZRHQUAGSHDNW-SFHVURJKSA-N 293.366 3.560 30 20 CHED CC[C@H](C)N(C)CCNc1ccc(C#N)c(C(F)(F)F)c1 218075231 BXRYDCGGGZBEQO-NSHDSACASA-N 299.340 3.719 30 20 CHED N#Cc1ccc(CNc2c(C#N)cnc3ccccc23)cc1 301103982 PXQHJQNYOMFLNN-UHFFFAOYSA-N 284.322 3.590 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc2[nH]ccc2c1 74259504 QIWZCOSHRBPVOW-UHFFFAOYSA-N 278.271 3.691 30 20 CHED C=C(C)COc1cc(CN(CC)C(C)C)ccc1OC 506398723 YTFRJMYMNVHJLT-UHFFFAOYSA-N 277.408 3.880 30 20 CHED C[C@@]1(c2ccccc2)CC[C@@H](NCCCCC#N)C1 187950637 SJFHXVKSOQRLPC-IAGOWNOFSA-N 256.393 3.780 30 20 CHED CO[C@@]1(C)CCCN(CCC2(C#N)CCCCC2)CC1 411669070 QHDZNQXFMCTLJO-INIZCTEOSA-N 278.440 3.742 30 20 CHED C[C@H](c1ccncc1)N(C)Cc1ccc(Cl)cc1C#N 187365111 UUUAHWSIWZLVBJ-GFCCVEGCSA-N 285.778 3.800 30 20 CHED Cc1cccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1 181303693 POOYTSVSDYGMNN-ZDUSSCGKSA-N 295.342 3.930 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(C)(c2ccccc2)CC1 121006500 QDLRMRKKNOOSDK-HNNXBMFYSA-N 286.419 3.714 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cc(C#N)ccc1C 186704661 CUEDXOKYLJAJQD-SWLSCSKDSA-N 271.364 3.519 30 20 CHED C=CCCOC(=O)c1csc(Cc2cccc(F)c2)n1 182237652 DQIGYNCEHUISEP-UHFFFAOYSA-N 291.347 3.606 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)c(C)c2)c(C)o1 488286773 BJIFMYGDQCQELP-CYBMUJFWSA-N 268.360 3.927 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2sccc2C1 187063574 QQHWWZRRLBSHNZ-GFCCVEGCSA-N 268.385 3.739 30 20 CHED CC[C@@H](C)OCC(=O)Nc1scc(C(C)(C)C)c1C#N 410930441 QOOAFIOHTQDPRF-SNVBAGLBSA-N 294.420 3.671 30 20 CHED C[C@@H]1[C@@H](C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1(F)F 411008707 UHZFQYHDOVSHBF-XCBNKYQSSA-N 298.358 3.757 30 20 CHED Cc1ccc(C#N)cc1NCc1nnc(-c2ccccc2)o1 315199436 DDRNKKWAMFJWTN-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412258364 RLVFHXLFUGRQDQ-FGTMMUONSA-N 296.414 3.843 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2ccc(C)cc2)c1 211789250 HIWXCZOHIRFAKY-NTMALXAHSA-N 282.339 3.908 30 20 CHED COCCCCC(=O)Nc1scc(C(C)(C)C)c1C#N 410922943 BAFVAQGUPFUUKF-UHFFFAOYSA-N 294.420 3.672 30 20 CHED CN(CCCSCC#N)[C@@H]1CCC[C@@H]1C(C)(C)C 419339378 ZZFMEZBHCGHZRC-UONOGXRCSA-N 268.470 3.780 30 20 CHED CCCCOc1ccc([C@H](C)NCCCC#N)cc1OC 180346194 DRPYGTZOLSSMNH-AWEZNQCLSA-N 290.407 3.828 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1C[C@H]2CCCC[C@H]2C1 414521520 CBGVBXGUQZSSKH-KFWWJZLASA-N 288.439 3.604 30 20 CHED CC[C@@H](CC#N)NCc1cc(Cl)cc2cccnc12 184083724 ODPDPPOJHDRNBP-AWEZNQCLSA-N 273.767 3.670 30 20 CHED C[C@H](CCC#N)N(C)CCCOc1ccc(Cl)cc1 411178143 KVIUTVNWOMWGCD-CYBMUJFWSA-N 280.799 3.733 30 20 CHED N#Cc1cc(C(=O)N[C@@H](CC2CCC2)c2ccccc2)c[nH]1 180030083 BFEHGIZXGUXYEM-KRWDZBQOSA-N 293.370 3.548 30 20 CHED C#Cc1cccc(N(C(=O)c2cccc(OC)c2)C(C)C)c1 77293907 ICNLHZDSBULEFO-UHFFFAOYSA-N 293.366 3.732 30 20 CHED COCCN(Cc1ccccc1C(C)(C)C#N)CC(C)C 135121694 HWHANVKUHQJTRY-UHFFFAOYSA-N 288.435 3.592 30 20 CHED N#Cc1ccc(F)c(CN2CCSC3(CCC3)CC2)c1 411871555 RRIGBDSECDOJEU-UHFFFAOYSA-N 290.407 3.559 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(CC)CC1CC1 413815244 GRFQWGHPFLJCHT-QGZVFWFLSA-N 286.419 3.615 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2cc(F)ccc2C#N)C1 160880598 MEACAJQATJNZBJ-JKSUJKDBSA-N 292.423 3.803 30 20 CHED CC(C)C(NC(=O)Nc1ccc(CC#N)cc1)C(C)C 610900501 XSQWWFSNOBEMTB-UHFFFAOYSA-N 273.380 3.555 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2nccc3sccc23)CCC1=O 329612893 OPNIETSYSSOOHI-VHSXEESVSA-N 288.372 3.890 30 20 CHED C=CCn1c(C)nnc1SCc1ccc(C)c(C)c1 192121539 QLOFWJGZYPKGQR-UHFFFAOYSA-N 273.405 3.682 30 20 CHED CCCC[C@H](CC)C(=O)N[C@]1(C#N)CCc2ccccc2C1 193358736 HOZMEQRZBAIDTJ-HNAYVOBHSA-N 298.430 3.770 30 20 CHED Cc1ccc(-c2ccsc2C(=O)N[C@@H](C)CC#N)cc1 194654746 RDDVQCGBXSZLFA-LBPRGKRZSA-N 284.384 3.756 30 20 CHED Cc1nc(SCc2ccc(C#N)cc2F)oc1C 46028369 OQCWHZVFHGIBDU-UHFFFAOYSA-N 262.309 3.595 30 20 CHED CC(C)c1ncncc1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329671465 SBFOWDOCSYJABE-MELADBBJSA-N 287.407 3.873 30 20 CHED CC[C@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 228178811 VBTQSRSJBOURKE-NSHDSACASA-N 293.208 3.947 30 20 CHED C=C(C)CN(Cc1ccc(CC)cc1)Cc1ccc(CO)o1 512194296 HNEBTXMDZBEWBR-UHFFFAOYSA-N 299.414 3.913 30 20 CHED CC(C)[C@H]1CC[C@H](/C(O)=N/[C@H]2CCc3c[nH]nc3C2)CC1 328731045 IFWJDVUUOYNIGM-YDHLFZDLSA-N 289.423 3.686 30 20 CHED O/C(=N/C1CCCCC1)c1coc(C2CCCC2)n1 328838709 YIQCEJMTCIJXJK-UHFFFAOYSA-N 262.353 3.970 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 424790688 XUBPCBYXFFWNLB-HZPDHXFCSA-N 287.403 3.625 30 20 CHED C=CCN1CCC(N[C@H](CCC(C)C)c2ccoc2)CC1 428227618 SKUBNRACPDUADH-GOSISDBHSA-N 290.451 3.997 30 20 CHED C=CCCC1(c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)CC1 424221274 GQHPFAMABHDOEN-CHWSQXEVSA-N 290.407 3.986 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)c2ccccc21 331761099 GMCFQTSOKMFIMZ-KFZJALRRSA-N 297.402 3.616 30 20 CHED C=CCOc1ccccc1C(=O)N1CCc2ccc(F)cc21 194899996 MVQYVODEAPDCAP-UHFFFAOYSA-N 297.329 3.593 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCOc1ccccc1Cl 429911147 QLQGVEKAKNDKKA-UHFFFAOYSA-N 295.810 3.780 30 20 CHED C[C@]1(CNCc2ccc(C#N)cc2)C[C@H]1c1ccccc1 339450240 QFNNJTPPTMZVNA-RBUKOAKNSA-N 276.383 3.842 30 20 CHED C=C(C)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 518840662 DMJGUANJQHCKBX-UHFFFAOYSA-N 288.218 3.754 30 20 CHED C=CCN(CC=C)C(=O)CS[C@H](C)c1cccc(F)c1 194181118 SSSKEVUULMUOBQ-CYBMUJFWSA-N 293.407 3.821 30 20 CHED N#Cc1c(F)cccc1OCCCOCc1ccccc1 381957147 FUHCPQJLMXJOLU-UHFFFAOYSA-N 285.318 3.683 30 20 CHED C=CCCN1CCCC[C@H]1c1nc2ccccc2o1 533538213 YMLDXEXMCHAOEH-AWEZNQCLSA-N 256.349 3.931 30 20 CHED C=C(Cl)CN[C@@H]1CCc2cc(Br)ccc21 161748043 XWEFHDCYQYKUEY-GFCCVEGCSA-N 286.600 3.779 30 20 CHED N#Cc1cccc(NC(=O)NCC2CCC(F)(F)CC2)c1 337170690 LDGPPSCTXVDCTD-UHFFFAOYSA-N 293.317 3.505 30 20 CHED Cc1noc(C)c1/C(O)=N/Cc1nc(C(C)(C)C)cs1 330615442 CMAZXUSUBXOEHP-UHFFFAOYSA-N 293.392 3.550 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 511721533 HTFNFGVTVMRIBR-SHTZXODSSA-N 257.377 3.651 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 331605731 VTQYKCUNMNAYMU-UAGQMJEPSA-N 297.402 3.534 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)F 92831088 BCNYHZZATXQQCL-JTQLQIEISA-N 280.368 3.625 30 20 CHED C=CCc1cc(/C=C\c2ncccc2C#N)cc(OC)c1O 436934465 SSVHJFZPGLLODX-FPLPWBNLSA-N 292.338 3.566 30 20 CHED C=CCC[C@H](O)CN1CC[C@@](F)(c2cccc(Cl)c2)C1 515313396 BUCQDBZVKUYZHK-HOTGVXAUSA-N 297.801 3.538 30 20 CHED N#CCCN(Cc1cccc(F)c1Cl)CC1CC1 93178344 KWLMZQYCIPBWFD-UHFFFAOYSA-N 266.747 3.605 30 20 CHED Cc1ccoc1CNc1ccc(C#N)c(Br)c1 383766785 FXLQIRZCYASBCJ-UHFFFAOYSA-N 291.148 3.834 30 20 CHED CC(C)C[C@@H]1C[C@H](N/C(O)=N/CC2CCCCC2)CCO1 330724910 ZTVWVCHUTNBJCT-HZPDHXFCSA-N 296.455 3.664 30 20 CHED N#Cc1cncc(S[C@H]2CCCc3ccccc32)n1 335000172 OQVIBGNZXIFLOD-AWEZNQCLSA-N 267.357 3.518 30 20 CHED CC1(C)C[C@H]1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 338060511 LLCDBFHEFKRJKH-GZMMTYOYSA-N 297.185 3.720 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 331014792 GICLUZKVZBAXEG-CJNGLKHVSA-N 284.403 3.796 30 20 CHED C=CCCC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 523276166 FEEBOYOVPVAPCG-UHFFFAOYSA-N 274.147 3.907 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(c3c(F)cccc3F)CC2)C1 336527889 IGGWEQGXZNKNIH-GXTWGEPZSA-N 290.357 3.836 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](c1ccccc1C)C(C)C 522635213 AMLJKGGLZRTKDT-GOEBONIOSA-N 274.408 3.956 30 20 CHED N#Cc1cc(Br)ccc1N1CCCCCC1 96731012 LDPOIYGOIGSVCX-UHFFFAOYSA-N 279.181 3.701 30 20 CHED N#CC1(C(=O)Nc2ccnc(-c3ccccc3)c2)CCCC1 524696131 VXWBZGYVOOLELO-UHFFFAOYSA-N 291.354 3.771 30 20 CHED C[C@H]1C[C@@H](C)CCN(Cc2cccc(C#N)c2F)C1 340924317 WTFKMXSZWLODAE-STQMWFEESA-N 260.356 3.565 30 20 CHED C=CCN(C(=O)Nc1ccc(-c2ccc[nH]2)cc1)C1CC1 345117390 UCTDBTLZBYSFAK-UHFFFAOYSA-N 281.359 3.864 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCCc3sccc32)C1 248830493 HIZNBTUJCKCVQQ-DYEKYZERSA-N 260.406 3.797 30 20 CHED CCCCCCCCC(=O)NC1CCN(CCC)CC1 247976171 FVTKNBNOJDVEGR-UHFFFAOYSA-N 282.472 3.728 30 20 CHED C=CCCC(=O)N(C)Cc1ccc2ccccc2c1 522597468 LQNUXCQHNFDESU-UHFFFAOYSA-N 253.345 3.764 30 20 CHED C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H](C)CC#N)C1 245788554 WSCTYRPQKVWIDB-OAGGEKHMSA-N 294.439 3.560 30 20 CHED Cc1ccnc(N[C@@H]2C[C@H]2c2c(F)cccc2F)c1C#N 343448524 ZVAJCXDXFUVIQJ-QMTHXVAHSA-N 285.297 3.508 30 20 CHED COc1c(CNc2snc(C)c2C#N)oc2ccccc12 343213419 DZAHAETXCXDGQV-UHFFFAOYSA-N 299.355 3.690 30 20 CHED CC(C)CCN(CCC#N)C[C@@H]1CCCCN1C(C)C 340287047 FXRHLIXMLIRNAU-KRWDZBQOSA-N 279.472 3.511 30 20 CHED CCCN(CC#N)C(=O)CCSc1cccc(Cl)c1 341429946 UPEAJZUVUPGGAH-UHFFFAOYSA-N 296.823 3.584 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 438852539 BRRPHODKUDPJFC-DJIMGWMZSA-N 299.418 3.909 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(F)cc2C)cc1 247831504 LMIJECXVAXLTQH-UHFFFAOYSA-N 285.318 3.951 30 20 CHED C[C@@H](CCC#N)CN(C)CCCCc1ccccc1 602446550 GNWGVNSCKKWTSY-INIZCTEOSA-N 258.409 3.881 30 20 CHED C=CCN(Cc1ccc(F)c(Br)c1)C1CC1 536743318 YGVVRGDNZOTJPV-UHFFFAOYSA-N 284.172 3.739 30 20 CHED Cc1cc(CON=Cc2cccs2)c(C)s1 255079226 QZKXYBFORQOYIW-UHFFFAOYSA-N 251.376 3.977 30 20 CHED C=CCCCSc1nc(N)c2c(C)c(C)sc2n1 605076802 FAOOAIKWANTUIR-UHFFFAOYSA-N 279.434 3.949 30 20 CHED C=CCN[C@@H](C)c1cc(F)c(Br)cc1F 527893300 MDTXLMHDAQJPSX-ZETCQYMHSA-N 276.124 3.564 30 20 CHED N#Cc1ccc(CSCc2noc(C3CCC3)n2)cc1 600653382 IOVGGVZFXDERGM-UHFFFAOYSA-N 285.372 3.642 30 20 CHED Cc1ccc(-c2ccc(/C=C\C(=O)c3cnccn3)o2)cc1 255470420 MDKRJIDSQKATKH-VURMDHGXSA-N 290.322 3.941 30 20 CHED C=C(CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 345717342 UIHUJBBPOOGSAQ-KRWDZBQOSA-N 295.407 3.533 30 20 CHED C=CCC1(C(=O)N(C)Cc2cc(C)ccc2F)CCC1 347371730 VUYQYLSETFNWCJ-UHFFFAOYSA-N 275.367 3.839 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H]2CSc3ccccc32)C1 449367632 XOGQQOVBOGHNMG-RDBSUJKOSA-N 272.417 3.548 30 20 CHED C[C@H](CCC#N)CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C 602478278 OVYYITBRUJALMJ-FMKPAKJESA-N 274.383 3.943 30 20 CHED CC1(C#N)CCC(NCC2(C)Cc3ccccc3C2)CC1 449212064 IIVUVEVOYWJZBX-UHFFFAOYSA-N 282.431 3.854 30 20 CHED CCOc1cc(N=Cc2ccccc2O)ccc1OC 255493985 MWVOWTGWYNDWNN-UHFFFAOYSA-N 271.316 3.550 30 20 CHED N#CCC1(CN2CCC(CCc3ccc(O)cc3)CC2)CC1 602764816 YVIPZXXOWKBUCO-UHFFFAOYSA-N 298.430 3.731 30 20 CHED O=C(/C=C\c1cncs1)c1ccc(Br)cc1 255710163 GMFAMXGOAZMIGG-WAYWQWQTSA-N 294.173 3.802 30 20 CHED CC(C)[C@@H](CC(=O)N(CCC#N)C(C)C)c1ccccc1 609129354 QUBPDWNVPVSAQH-QGZVFWFLSA-N 286.419 3.967 30 20 CHED Cc1ccnc(N[C@H]2CCc3c(C)cccc32)c1C#N 543137674 CZGFJIMLXDXTBW-INIZCTEOSA-N 263.344 3.670 30 20 CHED CC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764304 LAXXXHGEGYEQFL-GFCCVEGCSA-N 295.342 3.730 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1ccc2cc(OC)ccc2c1 449545952 AJURDZXJBZFLLH-MOPGFXCFSA-N 297.398 3.672 30 20 CHED N#CC[C@H](CC(=O)NCc1ccccc1F)c1ccccc1 353511196 BMXNZDWVTUVFPO-OAHLLOKOSA-N 296.345 3.529 30 20 CHED Cc1ccc(CNC2CCC(C)(C#N)CC2)c(C)c1 449086133 AWUSPUJWDPQNOU-UHFFFAOYSA-N 256.393 3.866 30 20 CHED C[C@H](NCc1ccc(F)cc1C#N)c1c(F)cccc1F 539234429 XVNIVHUPSYSEAI-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@@H]2CCC[C@H]21 351169133 QKNRQEMOPJBWQU-DZGCQCFKSA-N 286.423 3.501 30 20 CHED N#CCCCSCc1ccc(C#N)cc1OC(F)F 359034387 IYHZZWAJJYUBNX-UHFFFAOYSA-N 282.315 3.697 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(SC)c(Cl)c1 353666765 QIXSDFYTKYCHAF-CYBMUJFWSA-N 282.796 3.940 30 20 CHED N#Cc1ccncc1NCCc1ccc2ccccc2c1 354559329 JZYGNAUWZKZRSU-UHFFFAOYSA-N 273.339 3.761 30 20 CHED FC(F)(F)COc1ccc(CON=C2CCC2)cc1 266242070 XPQZSAODVLNWQG-UHFFFAOYSA-N 273.254 3.684 30 20 CHED COCC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccco1 353680585 UFNRHSLYLGMQFW-IAGOWNOFSA-N 296.370 3.506 30 20 CHED CN(CCC#N)C(=O)Nc1cc(C(F)F)ccc1Cl 353176151 UPZDEGPQAZVOJR-UHFFFAOYSA-N 287.697 3.655 30 20 CHED C=C(CC)CN[C@H]1CCc2cc(F)c(F)c(F)c21 449733659 JDHKKGCKUVMEGG-NSHDSACASA-N 255.283 3.647 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 359442571 UNIDHCFVFAUZRB-GJZGRUSLSA-N 276.424 3.767 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(CCC#N)CC(F)(F)F 356256918 CEEUBSGRRFOVJD-NWDGAFQWSA-N 290.329 3.507 30 20 CHED Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1C#N 618741306 DRLNRRHHBZDBRM-LJQANCHMSA-N 287.366 3.515 30 20 CHED C=C(C)CCc1noc(-c2ccc3ncccc3c2)n1 351610345 YHSSJFHJUHRVFG-UHFFFAOYSA-N 265.316 3.794 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(F)cc2Cl)C1 612289990 DZWHEBJUGSZMSL-AWEZNQCLSA-N 295.745 3.637 30 20 CHED CC(C)CC1(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 440450218 GPZPYLYVHSSPST-CYBMUJFWSA-N 270.376 3.562 30 20 CHED C=CC(C)(C)c1nc(Cc2ccc(F)cc2Cl)no1 453100374 RXRSEBIAQGMCJX-UHFFFAOYSA-N 280.730 3.917 30 20 CHED C=CCC[C@@H](NC(=O)CCCC(=O)C1CC1)c1ccccc1 450179024 BXETZEUUONIJBD-QGZVFWFLSA-N 299.414 3.960 30 20 CHED CCOc1cc(NC(=O)C2(C#N)CCCCC2)ccc1C 263867926 ZYZFQPGGIAPSPU-UHFFFAOYSA-N 286.375 3.806 30 20 CHED CCSCc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1 455869738 XIMJWSMGJXJUEA-GFCCVEGCSA-N 291.420 3.706 30 20 CHED CCC(C)(CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 613399638 USJMAZLOZHFAMQ-LBPRGKRZSA-N 258.365 3.562 30 20 CHED Cc1ccc(CCCNC(=O)c2cc(C#N)cs2)c(C)c1 610613638 USHXFACRJZMIFM-UHFFFAOYSA-N 298.411 3.599 30 20 CHED Cc1cc(C(F)(F)F)ccc1C(=O)NCC(C)(C)CC#N 458013860 BYFRHHCJTODQKU-UHFFFAOYSA-N 298.308 3.684 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)c(Cl)c1C 611967477 ZXORQEVYZZKUPO-LBPRGKRZSA-N 278.783 3.625 30 20 CHED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)C1CCCC1 610522676 GUZDGGIBCANVTN-ZDUSSCGKSA-N 288.366 3.899 30 20 CHED C=CCCNC(=O)C1(c2cccs2)CCCCC1 617616501 ZQTQSOTWVYJOGL-UHFFFAOYSA-N 263.406 3.642 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@H](C#N)C1 618903832 AEKUGLPYPOSKCW-TZMCWYRMSA-N 282.309 3.829 30 20 CHED C=CCCCN[C@@H](C)c1nc(C(F)(F)F)cs1 279040846 XNZFKSFMVUPRRI-QMMMGPOBSA-N 264.316 3.779 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(CC#N)cc1)C2 361582998 BFHRASYRULXRDC-UHFFFAOYSA-N 262.356 3.577 30 20 CHED CCc1cc(=N[C@H](CCC#N)c2ccccc2)cc[nH]1 450386331 FJCHZXPTJMIWAM-QGZVFWFLSA-N 265.360 3.523 30 20 CHED CC[C@H](NCC(CC)(CC)CCO)c1ccc(C#N)cc1 278719720 MCSCXFSQHJGFGO-KRWDZBQOSA-N 288.435 3.788 30 20 CHED C=CC[C@H](C)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 272883049 NTHMWTZQLDCQMQ-JZXOWHBKSA-N 272.436 3.594 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cnc(CC)nc1 362408481 ACCDSAIGYREBGE-UHFFFAOYSA-N 299.399 3.569 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(-c2ccccc2)nn1C(C)C 362690644 HQQAQLUOTUYXQJ-CYBMUJFWSA-N 298.390 3.827 30 20 CHED C[C@@H](CCCc1cccnc1)NCc1cc(C#N)cs1 459658804 YUZIQMAPKJZIOQ-ZDUSSCGKSA-N 285.416 3.516 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(C)(C)c1ccccc1 274646790 SEDQYPOOQPSYAP-OFQRWUPVSA-N 256.393 3.635 30 20 CHED N#CCSc1cccc(C(=O)NCC2=CCCCC2)c1 452291346 MOGVIFWQSZYACP-UHFFFAOYSA-N 286.400 3.532 30 20 CHED C=C(CC)CN[C@H](Cc1ccncc1)c1ccc(OC)cc1 453351216 IDFBSHOZULAPTR-LJQANCHMSA-N 296.414 3.930 30 20 CHED C=C[C@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 277945743 OPUOAMGETFVZGO-WBVHZDCISA-N 296.414 3.887 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)c2ccc(F)cc2O1 544143924 KXPVNQBGKNAGOX-CYBMUJFWSA-N 296.345 3.679 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 542716829 ICPWWSODGWPHJA-GHMZBOCLSA-N 278.783 3.766 30 20 CHED C=CCC[C@@H](NCC(C)(C)C[C@@H](C)O)c1ccco1 276443523 KONAXIYZVDZNIO-ZIAGYGMSSA-N 265.397 3.674 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 542949659 NBDQYOFIWMBDEW-BBWFWOEESA-N 286.419 3.977 30 20 CHED CC1(C)CCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 274618678 SSEZFPSHIKNZOP-KRWDZBQOSA-N 296.414 3.876 30 20 CHED C=CCN(C(=O)c1cc(F)cc2cccnc12)C(C)(C)C 622944704 BMLGADRMNBBMGV-UHFFFAOYSA-N 286.350 3.801 30 20 CHED C[C@@H](C#N)CNC1CC(c2ccc(C(F)(F)F)cc2)C1 542693585 LDBFQMGWNSKSIJ-JKDOVBDQSA-N 282.309 3.701 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc2ccsc2c1 540620877 FALYCCYBJCNTHZ-LLVKDONJSA-N 274.389 3.771 30 20 CHED N#Cc1ccnc(NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 283412025 ABHILYKUNQUGDW-WMZOPIPTSA-N 293.370 3.533 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(-n2cccn2)cc1 467413745 OPKVRUCJUIENMT-GDBMZVCRSA-N 269.392 3.878 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1(C)C 463481604 FNOLPQYBQJXZSE-GJZGRUSLSA-N 276.355 3.701 30 20 CHED CC#CCSc1nnc(-c2cccc(Cl)c2)n1CC 463043506 KNZJGBDZAZVHBG-UHFFFAOYSA-N 291.807 3.734 30 20 CHED C=C(C)CCc1noc(-c2c(-c3ccncc3)noc2C)n1 288981882 CBNROGVBKKWTKA-UHFFFAOYSA-N 296.330 3.604 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cccc(CC(C)C)c1 552275540 ZEFIYIJENIOLTJ-DOTOQJQBSA-N 275.436 3.720 30 20 CHED N#CCN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 375111618 CJYWCQZGIRCBNT-ZDUSSCGKSA-N 268.282 3.756 30 20 CHED COc1ccc(C2CCN(CCC(C)(C)C#N)CC2)cc1 554052706 AXPNSMGSNMOMOV-UHFFFAOYSA-N 286.419 3.814 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H]1c1cccc(OCC)c1 467957963 JDTDGWQNNGXISW-SOLBZPMBSA-N 287.403 3.660 30 20 CHED C=CCOc1ccc(C(=O)N(CC)CC(C)(C)C)cc1 462985070 CGSTZSHZSYPVAX-UHFFFAOYSA-N 275.392 3.760 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2cccc(Cl)c2)no1 285363957 NPZSMJJOTMMBGK-CQSZACIVSA-N 275.739 3.505 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)C1CC1 556853453 SNEZUGIVGPXKLN-RHSMWYFYSA-N 286.419 3.614 30 20 CHED C=CC[C@@H](CC)NC(=O)N1C[C@@H](C)c2ccccc21 466384051 QQRMZCRVQXYHKS-CHWSQXEVSA-N 258.365 3.674 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2F)s1 1125471314 LEZNGWRIEHRNHM-JTQLQIEISA-N 288.347 3.558 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc2ccn(C)c(=O)c2c1 551570506 FPGFHSUSDSTDJP-STQMWFEESA-N 270.376 3.551 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccccc1OC(F)F 466982296 FDWBCEDKPHQSNI-LLVKDONJSA-N 298.333 3.567 30 20 CHED CCOc1ccc(C#N)cc1NCc1cn(C(C)C)nc1C 281820093 ZNNYALAOSIDHLW-UHFFFAOYSA-N 298.390 3.655 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2cc(C#N)c3ccccc3n2)C1 554776740 SHRILKVEBBXBSB-OLZOCXBDSA-N 293.370 3.871 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC[C@H]2CCOC)cc1 287447898 LHICKPDJEQNJBU-WMZOPIPTSA-N 289.419 3.546 30 20 CHED C=CC[C@@H](C)NCc1cccc(C(=O)OC(C)(C)C)c1 478200574 FYDOCRKKIITHKH-CYBMUJFWSA-N 275.392 3.696 30 20 CHED Cc1csc(-c2ccc(NC(=O)C(C)(C)C#N)cc2)n1 299708064 YKRFQGQYFBDINA-UHFFFAOYSA-N 285.372 3.607 30 20 CHED FC(F)(F)c1ccc(NN=C2CCC[C@H]3C[C@@H]23)nc1 800804689 HLISXMDLHZKIGQ-WCBMZHEXSA-N 269.270 3.688 30 20 CHED C#Cc1ccc(CNc2ccc([C@@H]3CCOC3)cc2)cc1 293652256 NDGKYHDFZAFZBP-GOSISDBHSA-N 277.367 3.784 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C(C)=O)s1 475734472 OAZHZUXNQQZSNQ-UHFFFAOYSA-N 292.404 3.543 30 20 CHED CCc1nc(Cl)c(C)c(NCC(C)(C)CCC#N)n1 808093422 NKCAAANPQCALBB-UHFFFAOYSA-N 280.803 3.743 30 20 CHED CCC[C@H]1CCc2ccccc2N1CCO[C@@H](C)C#N 801935213 WSBFBUUIQUBKAU-HOCLYGCPSA-N 272.392 3.537 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCCOC1 388973807 YPMDOAXRGZZFRT-QWRGUYRKSA-N 298.308 3.804 30 20 CHED C#C[C@@H](NC(=O)c1cccc2c(C)c(C)[nH]c12)C(C)(C)C 807878492 SBLVVHCUXGOKAG-OAHLLOKOSA-N 282.387 3.562 30 20 CHED C=CCCC1(C(=O)NC/C=C/c2ccccc2)CC1 475913742 ZCOJDPLWTIRIGS-JXMROGBWSA-N 255.361 3.562 30 20 CHED C=Cc1ccc(CCN[C@@H]2CCC[C@@H](C#N)C2)cc1 291226098 NTPDFRNFVDTYIA-IAGOWNOFSA-N 254.377 3.544 30 20 CHED C=CCC[C@H](N[C@H]1CCS[C@@H]1C)c1ccco1 647359880 MNFFZLUWKALRBO-AGIUHOORSA-N 251.395 3.771 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(C)cc1C 564306579 IMJKZTOVLUADQN-UHFFFAOYSA-N 299.414 3.967 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 641992719 UMCUAUWTNXKABG-RHSMWYFYSA-N 287.403 3.902 30 20 CHED CC(C)(C)N1CCC(Nc2c(F)cc(C#N)cc2F)CC1 299665139 IEARZQVGFWSYJF-UHFFFAOYSA-N 293.361 3.511 30 20 CHED C#C[C@H](C)N(C)C[C@H](C)c1ccc(C(F)(F)F)cc1 800381835 KNXGEQCFXAFFSB-RYUDHWBXSA-N 269.310 3.762 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc3cnccc3c2)C1 296585487 PYOHLUGPVVFCOM-DOMZBBRYSA-N 251.333 3.729 30 20 CHED C=CCCCCCCNC(=O)Cc1ccccc1C 805218473 AATQKESJWFJUOM-UHFFFAOYSA-N 259.393 3.790 30 20 CHED C=C(C)CCc1noc(-c2ccnc(C(F)(F)F)c2)n1 809498970 WQHQPKKECIZATA-UHFFFAOYSA-N 283.253 3.659 30 20 CHED CCCC[C@@H](CC)CNC(=O)NCC#Cc1ccccc1 642106564 YYGBQWZMHUHIOF-MRXNPFEDSA-N 286.419 3.554 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1csc(C)c1 640644526 SCTFFMUAEYPKMF-LBPRGKRZSA-N 250.367 3.629 30 20 CHED O=C(/C=C/c1cnccn1)c1ccc2c3c(cccc13)CC2 809155259 SIAYTUGKPNUQMA-VQHVLOKHSA-N 286.334 3.625 30 20 CHED CCCCCCC(=O)NCc1ccc(C#N)c(Cl)c1 801070452 IUNNMNRNGGNLRC-UHFFFAOYSA-N 278.783 3.798 30 20 CHED Cc1nc(NCc2nc(C(C)(C)C)cs2)ccc1C#N 291824335 GBJLKMOGQFLDCA-UHFFFAOYSA-N 286.404 3.628 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccn2ccnc2c1 290733039 PLEOQPGQUPNWBL-UHFFFAOYSA-N 286.379 3.544 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 641992721 UMCUAUWTNXKABG-YOEHRIQHSA-N 287.403 3.902 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1nc(-c2ccccc2)oc1C 803788841 ZPNHQMZLIZHEIN-KRWDZBQOSA-N 298.342 3.633 30 20 CHED C=CCCCCN[C@@H](C)[C@H]1CCCN(C2CCC2)C1 567122114 LWAVEVJFHNJZMO-HOTGVXAUSA-N 264.457 3.585 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)c1cccc(F)n1 804814612 WPGGSVHOZRURNI-UHFFFAOYSA-N 288.370 3.581 30 20 CHED C=CCCCCCS[C@H](C)C(=O)NC1CCCC1 485587657 WRANRPCTOWDABS-CYBMUJFWSA-N 269.454 3.913 30 20 CHED Cc1cc(Cl)cc2c1O/C(=C/c1cncs1)C2=O 811698475 RNDIIMMHGUTVBN-NYYWCZLTSA-N 277.732 3.721 30 20 CHED CCO[C@H](CC)C(=O)Nc1sc(C(C)(C)C)cc1C#N 565352535 ZZEOFZGZNMQKNK-LLVKDONJSA-N 294.420 3.671 30 20 CHED C=CCn1cccc1C(=O)N1CCCC[C@@H]1[C@H](C)CC 488735157 NHHFLQZCDCEJJZ-HUUCEWRRSA-N 274.408 3.715 30 20 CHED N#Cc1ccc([C@@H](O)COc2cccc(C3CC3)c2)cc1 818174796 OETUZOWJFRSGPR-SFHVURJKSA-N 279.339 3.548 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(C)c2)cc1O 811698652 MPBGODTVDZMNIR-SOFGYWHQSA-N 268.312 3.605 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(-c2ccccc2)cc1 813303962 UGBJCCLZVJOHQH-IBGZPJMESA-N 290.366 3.776 30 20 CHED C[C@H](C#N)OCCSc1ccc2c(c1)CCCC2 817583633 FRINPCCUHMCGHQ-GFCCVEGCSA-N 261.390 3.586 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H](c1ccnn1C)C(C)C 657985730 HIOGOFNFVRVEDO-IKGGRYGDSA-N 289.467 3.884 30 20 CHED C=CCCCCOC(=O)Cc1c[nH]c2ccc(OC)cc12 811010408 RSHPWAIKHMCJJZ-UHFFFAOYSA-N 287.359 3.619 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C)CC)c1ccc(Cl)cc1 811949310 UOUGOQPRWDQAOZ-SMDDNHRTSA-N 263.768 3.567 30 20 CHED Cc1cc(CN(C)C[C@H](C)c2nccs2)ccc1C#N 488271156 YFCAJFROZPYZRU-ZDUSSCGKSA-N 285.416 3.559 30 20 CHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1O 818355099 CBICDSZATFJABV-MISXGVKJSA-N 278.783 3.779 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)c1cccc(C2CC2)c1 579316901 IGUOYDMUFAYCLK-LLVKDONJSA-N 296.395 3.988 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(OC)c(C)c1 812457344 JSLCMJWYBIGSLI-UHFFFAOYSA-N 293.370 3.798 30 20 CHED CC(C)OCCON=C1C[C@H](Oc2ccccc2)C1(C)C 812239627 YHHLTOUGPBPICS-INIZCTEOSA-N 291.391 3.662 30 20 CHED N#Cc1ccc2c(c1)C(=NNc1ccc(Cl)cc1)CC2 811628619 FRUOPOHNUCLBTM-UHFFFAOYSA-N 281.746 3.974 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1ccc(C#N)c(F)c1 483935129 ZVJCJEZXKKZJSA-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2c(c1)CCCC2=O 815373518 BHRINGNBULPTQR-UHFFFAOYSA-N 299.370 3.692 30 20 CHED C=C(C)[C@H](NC[C@H]1C[C@@H]1C)c1ccc(F)c(F)c1 488561023 PZQSGOHMOZGQTA-NVBFEUDRSA-N 251.320 3.828 30 20 CHED CC(C)(C)CCCCNC(=O)N1CCC(CCC#N)CC1 572515208 RIAOXIQHWDALSX-UHFFFAOYSA-N 293.455 3.928 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 574034833 VSPJGCIENHHFLM-WDEREUQCSA-N 288.416 3.873 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@H](CSC)C1 813753384 AUHHTUULHMJGIS-OAHLLOKOSA-N 298.496 3.908 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(c3ccc(F)cc3)CC2)C1 815060382 SSOSYIVLRJHTHM-GUYCJALGSA-N 272.367 3.697 30 20 CHED CC(CCc1ccc(F)cc1)=NN[C@@H](C)c1ccncc1 819815206 NWBFEZVFTDBKAT-AWEZNQCLSA-N 285.366 3.880 30 20 CHED Cc1ccc(CCC(=O)OCc2ccccc2C#N)s1 810560643 HTAFRRVTIJIVAW-UHFFFAOYSA-N 285.368 3.604 30 20 CHED CC[C@@H](CC#N)Nc1cc(SCc2ccccc2)ncn1 573624239 KDVNEBPIUVVOFJ-AWEZNQCLSA-N 298.415 3.873 30 20 CHED C=CCC1(NC(=O)[C@H]2Cc3ccc(F)cc32)CCCCC1 654020849 ZWYOQHOBJZTREI-INIZCTEOSA-N 287.378 3.861 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1ccc(F)cc1C 819815001 KRVUAOOLVPWQSR-LBPRGKRZSA-N 271.339 3.604 30 20 CHED C=CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccncc1 810219791 WKCBITCBEYDLRO-RTBURBONSA-N 289.382 3.848 30 20 CHED CCCCCCCOC(=O)c1ccc2ncoc2c1 727199389 TVBLLJVYPAGHMJ-UHFFFAOYSA-N 261.321 3.955 30 20 CHED C=CC[C@H](C(=O)OC[C@@]1(C)C[C@H]1F)c1ccccc1 822127201 CQMHVXLBUKTPBW-SQWLQELKSA-N 262.324 3.638 30 20 CHED C=CCCNCc1ccc(OC)c(OCCCC)c1 657582282 JBZPTFOQTRLEOL-UHFFFAOYSA-N 263.381 3.540 30 20 CHED C[C@H]1CCC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 572894922 PCZXBBNENSUDEI-XJKSGUPXSA-N 254.377 3.716 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc3c([nH]2)CCCC3)c1 823083523 CMJWVCFAYCHBPT-UHFFFAOYSA-N 292.382 3.542 30 20 CHED C[C@@]1(CNc2nc(Cl)c(C#N)s2)CC1(Cl)Cl 828798854 WJORTWGJEVNPDJ-QMMMGPOBSA-N 296.610 3.664 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc2oc(C)c(C)c2c1 491738000 HNDVDODWWBKGEE-SNVBAGLBSA-N 270.332 3.535 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(C(C)C)c1 663326061 GTVRYJFPQSJCAT-ZWKOTPCHSA-N 273.420 3.881 30 20 CHED C=CCCC[C@H](NCc1c(C)cc(Cl)cc1C)C(=O)O 900068707 NBBAFEKEIHXYNK-HNNXBMFYSA-N 295.810 3.856 30 20 CHED Cc1cc(C)cc(Cc2noc(-c3cc(C#N)oc3C)n2)c1 583050353 QXKDNWCMDQZZKC-UHFFFAOYSA-N 293.326 3.717 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc1F 731490374 VVBOIPBDWIULIC-SNAWJCMRSA-N 290.315 3.790 30 20 CHED COc1cc(C)c(NC(=O)CCCCCC#N)cc1F 588164374 KEYRBHLDRQFQON-UHFFFAOYSA-N 278.327 3.555 30 20 CHED C[C@H](NCC(C)(C)C1CCOCC1)c1ccc(C#N)cc1 901642700 MVQWJHBCKDYAMW-AWEZNQCLSA-N 286.419 3.662 30 20 CHED CC(C)(Cc1ccccc1)C(=O)OCc1cccc(C#N)c1 735559574 TWDBDCBTOSCOAX-UHFFFAOYSA-N 293.366 3.870 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc2occc2c1 665962878 OCBJNRQDRQWWKB-UHFFFAOYSA-N 272.348 3.540 30 20 CHED C#CCCCC(=O)Nc1c(C)ccc(F)c1Br 839399631 QFRDJEAPQTZXKY-UHFFFAOYSA-N 298.155 3.639 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 732621882 JSSKHMBVYUEGOM-UHFFFAOYSA-N 296.739 3.541 30 20 CHED C#CCCCCCC(=O)Nc1ccc(CN(C)C)c(C)c1 838279629 LJFNJJUIKAJCKD-UHFFFAOYSA-N 286.419 3.579 30 20 CHED N#C[C@@H](OC(=O)c1cc(Cl)ncc1F)C1CCCCC1 909849941 LKUCDPIVHRQYMU-GFCCVEGCSA-N 296.729 3.503 30 20 CHED C=CCC[C@@H](C)NC[C@H]1CCCc2ccc(C(=O)O)cc21 901871406 COKIHPZQPNRHSJ-CZUORRHYSA-N 287.403 3.749 30 20 CHED C=C(CC)CNC(=O)N(CCCC)Cc1ccccc1O 838719436 IGOWJBPTVIGOFO-UHFFFAOYSA-N 290.407 3.670 30 20 CHED CCOc1c(Cl)cc(C=NNC(CC)CC)cc1OC 734364828 HVQXATLOFLQFHW-UHFFFAOYSA-N 298.814 3.859 30 20 CHED N#Cc1cccc(C=NNc2ccc(Cl)cc2)c1 839382190 RBRMTPPRNMYWCN-UHFFFAOYSA-N 255.708 3.658 30 20 CHED Cc1cccc2cc(C(=O)N(C3CC3)C3(C#N)CCC3)oc12 582979937 MIHYCGVIMXDXTG-UHFFFAOYSA-N 294.354 3.792 30 20 CHED C#CCCCCCOC(=O)c1scnc1C(C)C 835276602 CWRKIHRRUZBENC-UHFFFAOYSA-N 265.378 3.617 30 20 CHED Cc1c([C@H](C)NC(=O)C#CC(C)(C)C)oc2ccccc12 837355214 QVVKINJADBUTJM-ZDUSSCGKSA-N 283.371 3.968 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@H](F)C2)ccc1C(F)(F)F 588840880 BHQRGUIWMMWZFE-GXSJLCMTSA-N 272.245 3.880 30 20 CHED Cc1c([C@@H](C)NC(=O)C#CC(C)(C)C)oc2ccccc12 837355213 QVVKINJADBUTJM-CYBMUJFWSA-N 283.371 3.968 30 20 CHED CC1(c2ccccc2)CCC(NC[C@H](C#N)CCC#N)CC1 583970062 GDIATZCZWUWPBI-IVMQYODDSA-N 295.430 3.920 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)[C@H](C#N)c1ccccn1 732900874 XLUBEALOFOJXBG-JKSUJKDBSA-N 278.355 3.527 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2ccccc2c1 736954137 OMCUHIUQSBJDEU-UHFFFAOYSA-N 260.724 3.714 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H](C)c1ccc(Cl)s1 839038665 YUTJFXNMIORKNQ-VHSXEESVSA-N 270.781 3.850 30 20 CHED CC(C)ON=C([C@@H](C)OCc1ccccc1)C(F)(F)F 835000029 HMHKBSYZMBIRRF-LLVKDONJSA-N 289.297 3.935 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)NCC#Cc1ccccc1 590084210 XGOQELAJQYEEKB-MSOLQXFVSA-N 298.430 3.696 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCCc1ccc2c(c1)CCCC2 594083145 HLBUJXJQFCXXDW-GOSISDBHSA-N 298.430 3.649 30 20 CHED C=C1CCN(C(=O)COc2ccccc2[C@H](C)CC)CC1 591091453 DJXBPQBIAJQGAR-OAHLLOKOSA-N 287.403 3.758 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2ccncc2)cc1C 916136472 OVXUJNVQZSACNC-PLNGDYQASA-N 251.329 3.903 30 20 CHED C[C@@H](C#N)N(CC1CCC(C(F)(F)F)CC1)C1CC1 595709654 HWQUGRZLRDGULP-UNXYVOJBSA-N 274.330 3.732 30 20 CHED CCCCOc1cccc(NC[C@@H](O)CC(C)(C)C#N)c1 598726597 UNJGCJLSMZGPEA-HNNXBMFYSA-N 290.407 3.578 30 20 CHED Cc1ccsc1CCCC(=O)N1CCC[C@@H](CC#N)C1 597908460 SWGGWHXDCPWBQK-AWEZNQCLSA-N 290.432 3.532 30 20 CHED N#Cc1ccnc(SCC[C@@H]2CC2(Cl)Cl)c1 842544441 SZVGLCRJYPGCAX-SECBINFHSA-N 273.188 3.629 30 20 CHED C#CC1CCN(C(=O)/C=C(/C)c2ccccc2Cl)CC1 843707574 XEWPPJBOKPTYIP-SEYXRHQNSA-N 287.790 3.615 30 20 CHED CCOc1ccc(/C=N/[C@@H](C)c2cccc(OC)c2)c(O)c1 917557742 BAZNOLCUPRVUNZ-HCZVKUGISA-N 299.370 3.980 30 20 CHED Cc1ncsc1/C=C/C(=O)c1c[nH]c2ccccc12 742433188 SIORNVGADQSGKZ-VOTSOKGWSA-N 268.341 3.829 30 20 CHED CC[C@H]1CCCC(=NNc2cc(Cl)nc(C)n2)C1 741763962 MKDIHRDPWRZQMB-JTQLQIEISA-N 266.776 3.807 30 20 CHED CCN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)[C@@H](C)C#N 598359730 PKFWYQARGAHBBA-WDEREUQCSA-N 298.308 3.569 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C1CCC1 594277834 OFEZVAKREAMEBI-RDTXWAMCSA-N 296.414 3.528 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc(C2CC2)o1 590780175 UISWPXJOVWRPLL-KRWDZBQOSA-N 293.370 3.591 30 20 CHED COCCOc1ccc(-c2ccc(OCCC#N)cc2)cc1 592982928 CLRGCSWREVWATK-UHFFFAOYSA-N 297.354 3.671 30 20 CHED C=C(CNC(=O)Nc1ccc(OC)cc1C)c1ccccc1 672654845 KFSCBJBVCDVCCS-UHFFFAOYSA-N 296.370 3.839 30 20 CHED CC[C@@H](C#N)C(=O)N(C)C1c2ccccc2-c2ccccc21 593501901 DLZXUMOJCVMFDH-ZDUSSCGKSA-N 290.366 3.765 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 748233503 BQTPKGCZLNNQRN-NSHDSACASA-N 265.353 3.933 30 20 CHED CCOc1cccc([C@H](C)NCCc2ccc(C#N)cc2)c1 595055208 AXISGDMKLHBLNB-HNNXBMFYSA-N 294.398 3.850 30 20 CHED CCC1(CC)CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593990717 KJXOBPYSRFTGCO-OAHLLOKOSA-N 298.430 3.776 30 20 CHED C[C@H]1CCC[C@@H](C)CN1CCCOc1ccc(C#N)cc1 741793376 JOMXLBNNKWBDAE-CVEARBPZSA-N 286.419 3.838 30 20 CHED Oc1ccc2ccccc2c1/C=N/CC[C@@H]1C[C@H]2CC[C@H]1O2 840712481 YYQWSMJQRYQEHV-FAYMXFRBSA-N 295.382 3.922 30 20 CHED CC(F)(F)CC/N=C\c1cc(Br)ccc1O 840707848 SDXKTNKXLMEVNQ-CHHVJCJISA-N 292.123 3.619 30 20 CHED C[C@@H](Cc1cccc(F)c1)N(C)CCc1ccc(C#N)cc1 595541067 QTHOQQPBTMKRLK-HNNXBMFYSA-N 296.389 3.803 30 20 CHED CC1=CC(=NNc2ccc(C(F)(F)F)cn2)CC1 915917789 OJXAOVLNHFINTJ-UHFFFAOYSA-N 255.243 3.608 30 20 CHED N#CCCN(Cc1ccco1)Cc1cc2ccncc2s1 596977147 GXNJORVUFDASHL-UHFFFAOYSA-N 297.383 3.805 30 20 CHED CC(C)Cn1nccc1/C=C1/CCc2cc(F)ccc2C1=O 843270550 XGQQQMDYERQTIO-UVTDQMKNSA-N 298.361 3.891 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1nc(C)cs1 595430362 JKQKMHWFQAYSSC-HNNXBMFYSA-N 285.416 3.607 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2CC[C@@H]2c2ccccc2)n1 596498348 MFUCNYPHHPOKTJ-HZPDHXFCSA-N 263.344 3.620 30 20 CHED N#Cc1cccc(C2(NCc3cccc(O)c3Cl)CC2)c1 590186395 HCJQGFGCHDCBAJ-UHFFFAOYSA-N 298.773 3.696 30 20 CHED CC(C)C[C@H](C(=O)NC(C)(C)C#N)c1ccc(Cl)cc1 598669138 IBKROOVRYIUZQJ-AWEZNQCLSA-N 292.810 3.888 30 20 CHED C#C[C@H](OC(=O)C1CC=CC1)c1cccc(C(F)(F)F)c1 842408123 FYZQFJOMTRMKHW-AWEZNQCLSA-N 294.272 3.889 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1ccc([N+](=O)[O-])nc1 596637006 DYCZKEGQXJVLQQ-UHFFFAOYSA-N 297.314 3.510 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc2c(cc1Cl)OCCO2 929581500 JIXAIDIRCSWGII-JTQLQIEISA-N 295.766 3.652 30 20 CHED Cc1ccc(C(=O)/C=C\c2nc(Cl)cs2)o1 759077507 TTXKITUCWDXNRX-HYXAFXHYSA-N 253.710 3.594 30 20 CHED N#Cc1ccccc1NCc1sccc1Br 43674698 LHWGKAGKULONRA-UHFFFAOYSA-N 293.189 3.994 30 20 CHED Cc1cc(F)ccc1/C=C1\COc2c(F)cccc2C1=O 750910463 UKASULVYBFAHEU-XYOKQWHBSA-N 286.277 3.932 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCC[C@@H]1CC1(Cl)Cl 926657121 MIQDBNMCESBSJB-WDEREUQCSA-N 277.239 3.878 30 20 CHED CC(C)C[C@H](C)OC(=O)/C=C/c1ccccc1C#N 920127675 AUWXOYFTFUBYPD-XEHSLEBBSA-N 257.333 3.549 30 20 CHED C[C@@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccco1 859812231 LBGKFLQYUCGZEM-QWHCGFSZSA-N 283.327 3.949 30 20 CHED CSc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851214370 YXCZDJIJKUCISE-NSHDSACASA-N 277.389 3.894 30 20 CHED N#Cc1cc(COC(=O)C2CCC3(CC2)CC3)ccc1F 850266607 FGUHHRZRIKJDCT-UHFFFAOYSA-N 287.334 3.711 30 20 CHED C#CCN(C(=O)c1cc(F)c(C)cc1F)C1CCCCC1 757622128 DNWAFYAWLLXRQZ-UHFFFAOYSA-N 291.341 3.681 30 20 CHED COc1ccc2[nH]cc(CCN[C@H](C)CC(C)(C)C#N)c2c1 925050729 UXPIPNUTUKIXRO-CYBMUJFWSA-N 299.418 3.637 30 20 CHED C#CCCCOc1cccnc1NCCCC(F)(F)F 853393982 FRNBXUSLBXXFKG-UHFFFAOYSA-N 286.297 3.628 30 20 CHED Cc1cccc(C)c1C=NNc1ccc(Cl)nc1 755753662 MJALOKFLCFIHTL-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C[C@@H]1CC[C@H](CC(=O)O[C@H](C)c2ccc(C#N)cc2)C1 759472506 IPRXLCMKQMMBBY-NFAWXSAZSA-N 271.360 3.989 30 20 CHED CCC[C@H](C(=O)OC[C@@H](C)C#N)c1ccc(Cl)cc1 850900665 GCPVVWARAXSJMI-FZMZJTMJSA-N 279.767 3.927 30 20 CHED C#CC[C@H](NC(=O)/C=C(\C)c1ccccc1)c1ccccc1 757574967 AFKINAKAVSVFRV-VVLLFNJHSA-N 289.378 3.971 30 20 CHED CCCCCCCC(=O)N1CCN(c2cccs2)CC1 757751979 ZTLPUHVTMMICAM-UHFFFAOYSA-N 294.464 3.757 30 20 CHED C=CC[C@@H]1N(CC(F)(F)C(F)F)CCCC1(C)C 769954665 WGENHTSKXHHDDR-JTQLQIEISA-N 267.310 3.954 30 20 CHED Cc1cc(F)c(C(=O)Oc2ccc(C#N)c(C)c2)cc1F 765094426 KOVIWGXBGCQMJE-UHFFFAOYSA-N 287.265 3.673 30 20 CHED CC(C)N(Cc1ccc(N(C)CCC#N)cc1)CC1CC1 768674139 MJOINBAERZUAAI-UHFFFAOYSA-N 285.435 3.657 30 20 CHED Cc1ccc(C(=O)Oc2ccc(C#N)c(C)c2)c(F)c1 765114326 XMMLXAYLHFELQW-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C#CCOc1cccc(Oc2ncnc3sc(C)cc23)c1 761221082 WIEFBTHNYKLHGG-UHFFFAOYSA-N 296.351 3.804 30 20 CHED N#CC1(CCCCN2CCC[C@@H]2[C@@H]2CCCOC2)CCC1 930811382 NIWPVJGGIFTKLJ-IAGOWNOFSA-N 290.451 3.742 30 20 CHED C#CCCOc1ccc(CN(CCC#N)CCC(C)C)cc1 769335371 JJYRDXSIWLCOFX-UHFFFAOYSA-N 298.430 3.850 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2snc(Cl)c2C#N)C1(C)C 766111465 IPJYNQDQMIRUPM-ZJUUUORDSA-N 299.827 3.672 30 20 CHED C#CCCCON=Cc1cccc(Cl)c1Cl 766743328 JKCNUWWCCSRNRJ-UHFFFAOYSA-N 256.132 3.757 30 20 CHED C#CCC(C)(C)C(=O)NCCCc1ccc(C(C)C)cc1 767077787 SFKZQLGVRKXIEW-UHFFFAOYSA-N 285.431 3.908 30 20 CHED CC1CC(C#N)(C(=O)OCC[C@@H]2CCC[C@@H](C)C2)C1 767425302 QYFYKFRJBVSMRO-RXFTYZNJSA-N 263.381 3.686 30 20 CHED C#CCCCSc1nc(C)c(Cc2ccccc2)[nH]1 766276202 OVEFWGJGZSOVQB-UHFFFAOYSA-N 270.401 3.814 30 20 CHED CC(C)(C)[C@H]1CCCC(=NNCC2CCOCC2)CC1 1116336780 GSGHMDGOXFGJBT-HNNXBMFYSA-N 280.456 3.985 30 20 CHED COc1ccsc1C(C)=NNc1ccc([N+](=O)[O-])cc1 769766069 JIJROQRSNQRCMP-UHFFFAOYSA-N 291.332 3.501 30 20 CHED Cc1ccc(C=NNc2ccc(C)c(Cl)c2)nc1 1116280203 QNIRAPYSPVJYJC-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C)c(N2CCCC2)c1 874942477 LVZFXCXGXOGLBE-UHFFFAOYSA-N 299.418 3.864 30 20 CHED CC[C@@H](C)c1ccc(C(=O)OCC2(C#N)CC2)cc1 775864675 QLKCYYWWYGIXRF-GFCCVEGCSA-N 257.333 3.661 30 20 CHED CCOc1ccccc1C=NOCc1ccc(C#N)cc1C 776744357 SXUYLVDKFSRNKH-UHFFFAOYSA-N 294.354 3.816 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccccc1C1CC1 773158231 AQCVJYVGHNROFR-LICLKQGHSA-N 286.334 3.928 30 20 CHED C=CCOc1ccc(Cc2nnc([C@H](C)CC)o2)cc1 1118429811 JIHKANVMGVKNRZ-GFCCVEGCSA-N 272.348 3.739 30 20 CHED CCCC(=CC(=O)OCCC(C)(C)C#N)CCC 776398961 GBONDAVIXNKNHO-UHFFFAOYSA-N 251.370 3.996 30 20 CHED CCCCSCC(=O)N(CC#N)c1ccc(F)cc1C 875982235 QHAYMRYNQUIFAZ-UHFFFAOYSA-N 294.395 3.524 30 20 CHED C=CC[C@H](C(=O)OCc1ccc(C)nc1)c1ccccc1 778693570 PTOAHBZNRWOCHD-KRWDZBQOSA-N 281.355 3.793 30 20 CHED C=CCC[C@@H](NC(=S)NC(C)C)c1ccccc1 771850527 LLMOHVHTJIEWFB-CQSZACIVSA-N 262.422 3.566 30 20 CHED CC(C)C(C)(C)c1nnc(-c2ccc(C#N)cc2)o1 1118371335 AFPUSHCMFLYTTA-UHFFFAOYSA-N 255.321 3.542 30 20 CHED C=CC[C@H](NC(=O)N1[C@@H](C)CC[C@H]1CC)c1ccncc1 772494018 LIJKHHZYCQENKK-IMJJTQAJSA-N 287.407 3.671 30 20 CHED C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1O 1119248873 SRAVONPBJQPKRD-ICXUMSERSA-N 292.382 3.667 30 20 CHED CCCCc1oc2ccccc2c1C=NNC[C@@H](C)C#N 771110830 CJOMAWDPKQRTIQ-ZDUSSCGKSA-N 283.375 3.859 30 20 CHED C=CC[C@H](C(=O)OCc1cc(C2CC2)no1)c1ccccc1 1123094739 RUPZRDPQFXTKAN-INIZCTEOSA-N 297.354 3.955 30 20 CHED C=C[C@@H](C)Nc1ccc([S@](=N)(=O)C(F)(F)F)cc1 882081452 FQHZRKBAFGYUIG-CVJBHZAOSA-N 278.299 3.598 30 20 CHED C=C[C@@H](CC)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 776103094 BEWADWDOISMHJR-AWEZNQCLSA-N 284.359 3.815 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NC[C@H]1CCC(F)(F)C1 1121926320 LGPROCQCBQAATG-QWHCGFSZSA-N 286.366 3.562 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccnc1-c1csc(C)c1 1120692393 GTGIJIRBTZJGNI-NSHDSACASA-N 285.372 3.607 30 20 CHED C=CCCC[C@H](NC1CCN(CC#N)CC1)c1ccccc1 883187311 LGYUBAVPWRGWFF-IBGZPJMESA-N 297.446 3.662 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(Cl)cc1F 781207874 AKCOPOLJDBMEDF-UHFFFAOYSA-N 268.715 3.572 30 20 CHED Cc1cccc(OCCCNc2cccc(F)c2C#N)c1 784193259 NFRXFQSVKFWTPK-UHFFFAOYSA-N 284.334 3.887 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1/C=C\c1ccccc1 780754586 GLMIZJVHESCHSF-OUFNUQFJSA-N 281.399 3.884 30 20 CHED C#Cc1cccc(N(C)C(=O)Cc2cccc(Cl)c2)c1 103029792 IMDCXMUDZQTMSW-UHFFFAOYSA-N 283.758 3.527 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)nc(Cl)c1 787939625 UAMFSVMGIHPLLN-LBPRGKRZSA-N 273.163 3.929 30 20 CHED CCCCCC[C@H](CC)C(=O)NCc1ccc(C#N)cn1 782028776 IJYAYIMLXYZWGY-HNNXBMFYSA-N 287.407 3.566 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(F)c(F)c1 785758013 RHJRNVOBSGVPRJ-AWEZNQCLSA-N 254.276 3.610 30 20 CHED CCc1ccccc1NN=C1CCc2cc(O)ccc21 780211199 DOGZWKSXNIGKSG-UHFFFAOYSA-N 266.344 3.717 30 20 CHED N#Cc1ccc(NN=C2CCc3cc(O)ccc32)cc1Cl 780241598 RRLRGIJZEHZWKI-UHFFFAOYSA-N 297.745 3.680 30 20 CHED CCC[C@H](C)N(C)C(=O)Nc1ccccc1O[C@H](C)C#N 780671751 UGZMZIFJFALWPD-QWHCGFSZSA-N 289.379 3.630 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 787877365 IILFLBHFZXGINA-CGTJXYLNSA-N 298.430 3.684 30 20 CHED CC(C)(C#N)CC(=O)OCc1ccc(C(F)(F)F)cc1 785096349 PYASDHAFOGSWEF-UHFFFAOYSA-N 285.265 3.688 30 20 CHED C=C1CC(c2noc(Cc3c[nH]c4ccc(F)cc34)n2)C1 896883213 FLUHNYIXTSKDGZ-UHFFFAOYSA-N 283.306 3.714 30 20 CHED N#Cc1c(Cc2ccccc2)[nH]c2ncc(Cl)cc12 98181272 LUOPZGHDGBADTL-UHFFFAOYSA-N 267.719 3.679 30 20 CHED C#C[C@H](NC(=O)c1sc2ccccc2c1Cl)C(C)C 700590277 ZOGHOXYCDOPKFW-NSHDSACASA-N 291.803 3.942 30 20 CHED N#Cc1cccc(CN2CCc3cccc(Cl)c3C2)c1 1203764496 QXQCNYLVSQBDCC-UHFFFAOYSA-N 282.774 3.770 30 20 CHED Cc1cc2cc(NC(=O)c3ccc(C#N)cc3F)ccc2[nH]1 1136210765 QHPJUBBRWMMXDZ-UHFFFAOYSA-N 293.301 3.739 30 20 CHED N#CC1(N(C(=O)/C=C\C2CCCCC2)C2CC2)CCC1 791003855 VXUMHUGWLWOPLC-YFHOEESVSA-N 272.392 3.560 30 20 CHED C=CC[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F 792989168 ZQRNOSJOIYZJMM-LLVKDONJSA-N 286.341 3.826 30 20 CHED CCCCCCCOC(=O)C[C@@H]1CCC(=O)[C@@H]1C 796230998 GLOJLBUYAVAVMA-OLZOCXBDSA-N 254.370 3.505 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1C#N 799495006 MOSDVFHIKXZTNF-XVNBXDOJSA-N 299.276 3.741 30 20 CHED C[C@H]1CC(=NNc2nccn2C)C[C@@H](c2ccccc2)C1 790299949 KVYCGLXESYWEAS-HIFRSBDPSA-N 282.391 3.792 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H](CC)CCCC 791142786 RUCSNFVTKBLCFG-CQSZACIVSA-N 273.376 3.854 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@](C)(OC)CC1 793121158 NUEYZDOCMRAJIE-QGZVFWFLSA-N 298.471 3.948 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc(C)cc1C 798374887 CWCZSDDRRXKTNC-ZDUSSCGKSA-N 262.422 3.945 30 20 CHED CSc1ccc(CNCc2cc(C#N)ccc2F)cc1 742381634 AJAVPGQRKVJTLL-UHFFFAOYSA-N 286.375 3.709 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1cc(C(=O)O)oc1C 692252020 CTKORHSEEYRHPD-GXTWGEPZSA-N 277.364 3.511 30 20 CHED Cc1cccc2ncnc(NCc3ccc(C#N)c(F)c3)c12 1159084316 IHTRWBWNSQLOJX-UHFFFAOYSA-N 292.317 3.561 30 20 CHED C=CCCSCCNCc1cc(Cl)cs1 696017704 JLYIIAKVCGWSEW-UHFFFAOYSA-N 261.843 3.800 30 20 CHED CN(CCC(F)(F)F)c1ccc(C(F)(F)F)cc1C#N 88421806 BXMNCZIQDPJWBZ-UHFFFAOYSA-N 296.214 3.966 30 20 CHED C#CCCCCN[C@@H](C)c1cccc(OC(F)F)c1 90398568 QNAUDHZMRLGSLG-LBPRGKRZSA-N 267.319 3.742 30 20 CHED Cc1nsc(NC[C@@H]2CCC[C@H]2C2CC2)c1C#N 1307141893 NVNGZNUBVSNESQ-RYUDHWBXSA-N 261.394 3.561 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CSc2ccccc21 97635662 DXXMEXZGLUIRRE-AWEZNQCLSA-N 270.332 3.956 30 20 CHED CC(C)CCC1CCN(Cc2cccc(C#N)n2)CC1 1308602323 ADMIKPSFNAMVDA-UHFFFAOYSA-N 271.408 3.601 30 20 CHED Cc1ccc(C=NOCc2ncoc2C(C)C)cc1 1319977169 NPNFAEAYSQVCJR-UHFFFAOYSA-N 258.321 3.657 30 20 CHED N#Cc1c(CN2CC[C@H]3CCCC[C@@H]3C2)cn2ccccc12 1317858939 NJUMROXOFAUBNV-HZPDHXFCSA-N 293.414 3.823 30 20 CHED Cc1cc(C=NNc2ccc(C(C)(C)C)cc2)ncn1 1326194401 VPQTWUXHRBCTKM-UHFFFAOYSA-N 268.364 3.529 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2ccc(OCC#N)cc2)C1(C)C 1320388918 YVWACEFKWCUOLR-CVEARBPZSA-N 288.391 3.593 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1c1cccc(CC#N)n1 1326501072 CHOYMAHFOKRUSM-IIDMSEBBSA-N 291.398 3.919 30 20 CHED CC1(C)CCCN(CCc2ccc(Cl)cc2)[C@H]1C#N 1645514435 QCNXYLLZIHTFSA-HNNXBMFYSA-N 276.811 3.897 30 20 CHED CC(C)c1ccoc1C(=O)OCc1ccc(C#N)s1 1326838104 BADDZYOHPQLRTE-UHFFFAOYSA-N 275.329 3.693 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnn(C2CCCCC2)c1 1324594951 ZQTQQIYDYMCQRN-UHFFFAOYSA-N 289.423 3.720 30 20 CHED Cc1ccccc1C[C@H](C)Nc1ccc(OCC#N)cc1 1320674661 FQJHMBOJDUVELY-HNNXBMFYSA-N 280.371 3.941 30 20 CHED N#Cc1ccc(OCc2nnc(CCC3CCCC3)o2)cc1 1322081159 GBELCQLXIYUBRP-UHFFFAOYSA-N 297.358 3.643 30 20 CHED CC(C)(C#N)c1nnc(-c2cc3c(s2)CCCCC3)o1 1257886160 KAEPPWAGPOPKED-UHFFFAOYSA-N 287.388 3.868 30 20 CHED Cc1cnc(Cl)cc1C(=O)O[C@@H](C#N)C1CCCCC1 1336408517 UMMDDRGKQKDBFH-ZDUSSCGKSA-N 292.766 3.673 30 20 CHED CC(=NNc1ccc(C#N)cn1)[C@H]1CCCC[C@H]1C 1330910205 JVNNGIKHGBYQOK-RISCZKNCSA-N 256.353 3.567 30 20 CHED N#CCc1cccc(NCCc2cc3ccccc3o2)n1 1255096161 QOKKQMKHRQAIGO-UHFFFAOYSA-N 277.327 3.548 30 20 CHED C#CC[C@@H](CC)c1nnc(N(C)[C@H](C)c2ccccc2)n1C 1339445873 KGZKVZRJOJKVOV-HUUCEWRRSA-N 296.418 3.529 30 20 CHED C[C@H]1CCc2sc(-c3nnc(CCCC#N)o3)cc2C1 1261574460 ZKFPXQHJRNEBQA-JTQLQIEISA-N 287.388 3.769 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccccc1C(C)C 1190265610 UKMYIBXDVNFMSR-UHFFFAOYSA-N 293.370 3.976 30 20 CHED N#C[C@@H](C(=O)c1csc2ccccc12)c1cccc(F)n1 1347123463 MCSPBYGETNENHW-LLVKDONJSA-N 296.326 3.925 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@@H]1CCC 1342064435 CIGXSVFSAGIFHO-NSHDSACASA-N 284.354 3.561 30 20 CHED C=C(CC)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 1346086310 MCRUUSLLADWAJE-UHFFFAOYSA-N 272.175 3.918 30 20 CHED CCN(C(=O)Cc1cc(C)ccc1F)c1ccc(C#N)cc1 1354119255 PKONQVZKGFZGOC-UHFFFAOYSA-N 296.345 3.601 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccccc1CC#N 1355940830 WKDXUTTZYDOPJF-YJBOKZPZSA-N 298.430 3.722 30 20 CHED Cc1csc(C(=O)NCc2ccc(C#N)c(Cl)c2)c1 1436039012 YIQBPNBLSXYRKM-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C=C(C)CCC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 1358127220 GPKPBEABAJDOTJ-OAHLLOKOSA-N 293.794 3.596 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1csc(C#N)c1 1520689601 OSEMMZOUZGFWNE-FZMZJTMJSA-N 276.405 3.708 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#N)ccc1F 1529897569 VXMBZKJYECKRIK-CJNGLKHVSA-N 288.366 3.786 30 20 CHED Cc1ccc(C(=O)NC2(c3ccccc3C)CC2)cc1C#N 1526443350 QTZKZDURCPDWKU-UHFFFAOYSA-N 290.366 3.594 30 20 CHED Cc1coc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c1 1460245701 QZQUTVBNACQSAP-UHFFFAOYSA-N 298.342 3.889 30 20 CHED Cc1ccc(NN=C2CCC[C@@H]2CCF)cc1C(=O)O 1607808458 PQXYEXTZYPEOQK-LLVKDONJSA-N 278.327 3.621 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(C)ccc1C 1460129122 HUZNTZUMFRLWEK-UHFFFAOYSA-N 292.338 3.630 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1534067846 KOADTZLTEAAIPC-AAEUAGOBSA-N 296.374 3.589 30 20 CHED CC(C)(C(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1535452071 YNFKZTXKHREKED-UHFFFAOYSA-N 282.318 3.614 30 20 CHED COc1cc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)ccc1C#N 1621334769 WDKRORFVRRYZNI-AEFFLSMTSA-N 286.419 3.679 30 20 CHED CCCNc1ccccc1NC(=O)c1csc(C#N)c1 1638308190 JWWMJCKLSFBXKS-UHFFFAOYSA-N 285.372 3.694 30 20 CHED C[C@H](CC#N)N(C)CCCc1ccc(C(F)(F)F)cc1 161911909 QGTLXGMECLRXIT-GFCCVEGCSA-N 284.325 3.872 30 20 CHED C=CCCCCN[C@@H]1CCC[C@H](CCCC(=O)O)C1 1573366344 LESZLVHXVVKGAI-HUUCEWRRSA-N 267.413 3.746 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1CCC1 1642471164 QHZZRRGFJATXJE-HNNXBMFYSA-N 290.794 3.910 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2ccsc2C#N)C1 1584438699 IQLYXSMPGRBQJO-SNVBAGLBSA-N 263.362 3.745 30 20 CHED CC[C@H](CC(F)(F)F)NC(=O)[C@H](CC#N)c1ccccc1 1584390395 XPTBDIUKGDEUAU-CHWSQXEVSA-N 298.308 3.531 30 20 CHED C=C(Cl)CNCc1ccc(OC)c(O[C@@H](C)CC)c1 1656579606 VDTIVGHXNNELEB-LBPRGKRZSA-N 283.799 3.715 30 20 CHED CC(C)c1cccc(C(=O)Nc2ccc(Cl)cc2C#N)n1 1586199809 LWILEODEXWJKPZ-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CCCCCCCNc1ccc(CC(=O)O)cc1[N+](=O)[O-] 1595704309 DRLYYKNHTJXCNR-UHFFFAOYSA-N 294.351 3.604 30 20 CHED C[C@@H](CCNC(=O)Nc1sccc1C#N)c1ccccc1 1673282914 OHLRNSYWAUPOAH-LBPRGKRZSA-N 299.399 3.935 30 20 CHED CC1(C)CC(=NNc2ccccc2C(=O)O)c2ccccc21 1776030190 OPLCKSASQJJJFZ-UHFFFAOYSA-N 294.354 3.882 30 20 CHED CC(C)c1ccccc1NCC(=O)Nc1ccc(C#N)cc1 11621551 LKOCTMCIMQRKKB-UHFFFAOYSA-N 293.370 3.732 30 20 CHED C[C@@H](C#N)NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 161386830 IETLQHXPWFPJAK-LBPRGKRZSA-N 290.794 3.570 30 20 CHED Cc1ccc(C#N)c(NC[C@H]2CCCO[C@H]2C(C)(C)C)n1 161504002 RQRIDRFXVJJIRA-HUUCEWRRSA-N 287.407 3.515 30 20 CHED CC(C)(C#N)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 161645514 XPFVOYDWBCKMIW-GFCCVEGCSA-N 289.448 3.503 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(F)c(Cl)c2)C1 160984230 PUHVJWCYYHGNID-BMIGLBTASA-N 294.757 3.681 30 20 CHED C=CCN(CCc1csc(C)n1)Cc1cccs1 163406578 JPYONDROUWBAGA-UHFFFAOYSA-N 278.446 3.744 30 20 CHED COc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1F 165809193 MQZZBTSXRNOFFL-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](c1ccco1)N1CCCC1 152270395 YFEWRJMWWRWJBP-XHSDSOJGSA-N 276.424 3.607 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(F)cn1)c1ccccc1 155509444 GAOTUDPAUUSEMZ-LBPRGKRZSA-N 270.307 3.519 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCO[C@H](c2ccccc2)C1 154234164 VQHJXYNTPSJJGW-JFLZBYRCSA-N 281.355 3.731 30 20 CHED CCN(CC)CCC[C@@H](C)Nc1nccc(C#N)c1Cl 233438838 QIDRZJNDBBYDER-GFCCVEGCSA-N 294.830 3.529 30 20 CHED CSC1(CNc2nc(C)ccc2C#N)CCCCC1 235205130 MCMOVOHUEACFLW-UHFFFAOYSA-N 275.421 3.740 30 20 CHED CN(Cc1cccc(C#N)c1)CC1CCC(F)(F)CC1 459280961 BKBJSZMDJMHVQR-UHFFFAOYSA-N 278.346 3.816 30 20 CHED CC[C@@H]1CCCN(c2nc3ccccc3cc2C#N)C1 71389815 PMFXIAKCTVMJOA-CYBMUJFWSA-N 265.360 3.733 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCc1ccc(C)cn1 658030977 IGVPRSPFGSMXGO-DOTOQJQBSA-N 258.409 3.657 30 20 CHED Cc1ccc(CNc2cccc(CC#N)c2)cc1F 313445885 KNVDTHGFWBYPGB-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C[C@H]1CC(F)(F)CCN1Cc1ccc(C#N)cc1Cl 528774390 VDJZAKCIXLOZTF-JTQLQIEISA-N 284.737 3.831 30 20 CHED C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(CC#N)cc1 7369120 KFYWMLPQYDSDGO-SWLSCSKDSA-N 287.432 3.618 30 20 CHED N#Cc1cc(NC(=O)c2cc3ccccc3o2)ccc1F 51637541 NXCFUEMWTDLYEY-UHFFFAOYSA-N 280.258 3.696 30 20 CHED CCCCCCCOc1ccc([N+](=O)[O-])cc1C=O 59088004 YLHDYGSXMSAXTI-UHFFFAOYSA-N 265.309 3.757 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C)c(C(F)(F)F)c1 54297842 NUNPJDVBSYHFDU-UHFFFAOYSA-N 288.338 3.876 30 20 CHED CC(C)[C@H](CNCc1ccc(C#N)s1)c1cccnc1 177595676 ZLDRTBLNUKNPQS-INIZCTEOSA-N 285.416 3.544 30 20 CHED CC[C@@H](CC(=O)OCC1(CC#N)CC1)c1ccccc1 174738045 OUPXTJSXIOPCOJ-AWEZNQCLSA-N 271.360 3.807 30 20 CHED C#CCCCCC(=O)N(C)Cc1cc(Cl)ccc1OC 119510093 BQYNMQHJVXFZKT-UHFFFAOYSA-N 293.794 3.501 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1C 104817335 JFVOPDBGMXAIAN-RHSMWYFYSA-N 299.418 3.668 30 20 CHED c1ccc(/N=C2\NN=C(C3CCCCC3)CS2)cc1 22690621 RSRKLTXFMLNGBE-UHFFFAOYSA-N 273.405 3.947 30 20 CHED C[C@H](Nc1snc(Cl)c1C#N)c1cccc(O)c1 174719070 VQHXCYIEXNZGLO-ZETCQYMHSA-N 279.752 3.547 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1C 105308807 QVWWCNLUUHDXHG-RHSMWYFYSA-N 299.418 3.667 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(C#N)cs2)CC1 177074259 BDIYPXPSFWSUPM-CYBMUJFWSA-N 290.432 3.908 30 20 CHED CN(c1ccc(Cl)c(C#N)n1)[C@@H]1CCc2ccccc21 301566768 ZLPWOJGRBGPQRZ-OAHLLOKOSA-N 283.762 3.730 30 20 CHED CC(C)N(C(=O)c1c(F)cc(C#N)cc1F)C1CCCC1 119604386 NFBSICWAJPNGHW-UHFFFAOYSA-N 292.329 3.630 30 20 CHED CC(C)OCCCNc1ccc(C#N)cc1C(F)(F)F 301724225 LNCNJTQYIGADHU-UHFFFAOYSA-N 286.297 3.804 30 20 CHED CCC(=O)c1ccc(OCCOc2cccc(C#N)c2)cc1 60802118 LSUPNBMOSAYJDT-UHFFFAOYSA-N 295.338 3.609 30 20 CHED CC[C@H](C#N)NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 172953722 JYKBPOZMAPURGZ-UTSBKAFOSA-N 296.292 3.527 30 20 CHED C=CCCCC(=O)N1c2ccccc2SC[C@H]1C 176639708 TWQQSBRYOVCHTR-GFCCVEGCSA-N 261.390 3.870 30 20 CHED COc1cccc(C2=CCN(c3ccc(C#N)cc3)CC2)c1 301118399 PIZQEGWRFJKFBT-UHFFFAOYSA-N 290.366 3.861 30 20 CHED CC(C)C[C@H](CCO)CNc1ccc(Cl)cc1C#N 301420962 IHMQDYXRZJSIQS-LBPRGKRZSA-N 280.799 3.668 30 20 CHED C=CCN1CCC(N[C@@H](CC)c2ccc(F)cc2)CC1 177912084 KZPJMZWCBOEVPR-KRWDZBQOSA-N 276.399 3.517 30 20 CHED CCCCCCCCCC/N=C(\N)Nc1ccccn1 176174099 FUTGFQGXOQECJG-UHFFFAOYSA-N 276.428 3.949 30 20 CHED C#Cc1cccc(NC(=O)[C@H](SC)c2ccccc2)c1 172369700 WIFWYWJNGMFIMS-MRXNPFEDSA-N 281.380 3.711 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1CCCC#N 69679657 XJZCJMUUFRJVTN-DLBZAZTESA-N 256.393 3.948 30 20 CHED C=CCCCC(=O)Nc1ccc(C)c(-c2ncco2)c1 178413974 BLPPRGATIIOADR-UHFFFAOYSA-N 270.332 3.945 30 20 CHED C=CCCCC(=O)N[C@H](CC)c1cc(F)ccc1F 175745106 HPZHJDHNHVCNLB-CQSZACIVSA-N 267.319 3.888 30 20 CHED N#Cc1ccc(-c2nnc(-c3cc(F)ccc3F)o2)cc1 1345802288 WISOGBWFOIQHCM-UHFFFAOYSA-N 283.237 3.553 30 20 CHED C[C@H](OC(=O)c1ccc(-c2ccccc2)[nH]1)C(C)(C)C#N 178813975 IQMNDRNFDIHKPP-LBPRGKRZSA-N 282.343 3.777 30 20 CHED N#Cc1cc(F)ccc1NC(=O)N(C1CCCC1)C1CC1 177898350 ONGDBXZXENSBRX-UHFFFAOYSA-N 287.338 3.636 30 20 CHED C=CCSCCN[C@H](C)c1cc(C)sc1C 129338508 XEGNNJUVHFYJMH-LLVKDONJSA-N 255.452 3.935 30 20 CHED Cc1cc(Oc2cccc(F)c2C#N)c(F)cc1[N+](=O)[O-] 123439499 GMCLAEGQOHVRKE-UHFFFAOYSA-N 290.225 3.845 30 20 CHED CC[C@@H](C#N)Sc1nnc(Nc2cccc(F)c2)s1 127285264 TZDHFDZFXUNWCE-JTQLQIEISA-N 294.380 3.815 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccc(C)o2)c1 66463731 PVVDBRRHNGCEFV-UHFFFAOYSA-N 271.316 3.795 30 20 CHED CCCCCCCCC(=O)N[C@H](C#N)C(C)(C)C 122101565 XJHMEFMZTYDFJQ-CYBMUJFWSA-N 252.402 3.791 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CC12CCCCC2 302906687 XBEATPNXTLJBNN-CQSZACIVSA-N 251.333 3.565 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[C@@H](C)CC 182959894 DYNOPCNZKUCUFN-GJZGRUSLSA-N 286.419 3.979 30 20 CHED C=C[C@H](CC(=O)N(CCC)CC1CC1)c1ccccc1 122423959 HNDCHZDQTMRPBQ-MRXNPFEDSA-N 271.404 3.995 30 20 CHED Cc1nc(CN(C)CCC#N)oc1-c1ccc(Cl)cc1 121651537 CWBZGQDYPCDRKW-UHFFFAOYSA-N 289.766 3.649 30 20 CHED C=CCN(CC=C)Cc1ccc(OCC(F)F)cc1 505903424 QXVBNTNQJCKYPY-UHFFFAOYSA-N 267.319 3.505 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccccc2C)ccc1O 213701044 LBNARCWIXYTZHO-NTMALXAHSA-N 282.339 3.995 30 20 CHED N#CCSCCCN(Cc1ccc(F)cc1F)C1CC1 74981910 MOFLJMNWIPHUHB-UHFFFAOYSA-N 296.386 3.576 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cccc(Cc2ccccc2)c1 412167265 AKSXWDIRQZHQGN-OAHLLOKOSA-N 292.382 3.652 30 20 CHED N#Cc1ccc(CNc2cc(C#N)c3ccccc3n2)cc1 315678065 LKJKOBWPVMFOQD-UHFFFAOYSA-N 284.322 3.590 30 20 CHED C=CCCC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C 410366360 GXPBGGKWWSFPKK-NHYWBVRUSA-N 263.768 3.658 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CCc1ccc(Cl)s1 503668505 WZLKBDXNTDHBLF-CQSZACIVSA-N 298.839 3.779 30 20 CHED COc1ccc(NCc2ccc(C#N)cc2)c2cccnc12 121399139 ICDIODVSEMXZGI-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCCCOc1cccc(Nc2nnc(C)c(C)c2C#N)c1 506961691 SIHNYFAOTNAUDR-UHFFFAOYSA-N 296.374 3.888 30 20 CHED CCC(CC)S(=O)(=O)/N=C(\O)CCC1CCCCC1 73838038 KBPZVHASUUMXRD-UHFFFAOYSA-N 289.441 3.822 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCC1(C#N)CCCCC1 183717414 DIVOMACVXNZIML-CMDGGOBGSA-N 294.354 3.589 30 20 CHED CC1(C)C[C@@H](NCCC2(C#N)CCCCC2)C(C)(C)O1 411549392 GOPGPVRWPGYYGU-CQSZACIVSA-N 278.440 3.786 30 20 CHED C=CCCc1ccccc1NCc1cncc(F)c1 500453052 TYYZQBVVLNBKLL-UHFFFAOYSA-N 256.324 3.951 30 20 CHED CC(C)[C@H](Cc1ccccc1)NCC(C)(C)CC#N 414170707 TUTXBSZUPWLIBS-INIZCTEOSA-N 258.409 3.783 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412141980 APRUCPSAOAATBH-UWWPHRKUSA-N 284.403 3.603 30 20 CHED COC(=O)[C@@H](C)c1cccc(NCCCC(C)(C)C#N)c1 417078724 NOCVZYJNUVGHQY-ZDUSSCGKSA-N 288.391 3.705 30 20 CHED C=CCC/C(O)=N/S(=O)(=O)c1c(C)c(C)cc(C)c1C 78701092 AUZZCSUUEOHMSL-UHFFFAOYSA-N 295.404 3.532 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)c(F)c(F)c1 188445497 UJLIQYHXTSEAOG-CYBMUJFWSA-N 257.255 3.645 30 20 CHED C=CCC[C@H](NCCc1cncs1)c1ccccc1 411471889 LTPHWNIRLBDSGL-INIZCTEOSA-N 272.417 3.983 30 20 CHED CC(C)(CCC#N)CN1CCSC2(CCC2)CC1 414475625 HLZJFPXJVYVFIG-UHFFFAOYSA-N 266.454 3.678 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2ccc(O)cc2)c1 211366438 MURJYZAQQDAVPE-WDZFZDKYSA-N 280.323 3.853 30 20 CHED COc1ccc(C#N)cc1CN(CC(C)C)C1CCCC1 130487575 HKNSCTSITKJKKW-UHFFFAOYSA-N 286.419 3.967 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](C)C1CCCCC1 509934578 MRKXQHHCBQMMAG-CYBMUJFWSA-N 270.376 3.565 30 20 CHED C=CCCC1=NN=C(Nc2ccc(OCC)cc2)SC1 134437310 AOYOPJJIXFCCQI-UHFFFAOYSA-N 289.404 3.922 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@@H](C(C)C)C1 508808392 GWIDPZSPRUMCMS-OAHLLOKOSA-N 288.439 3.604 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc(C#N)cc1 212889952 OLTSYRDFHFPYJJ-HJWRWDBZSA-N 277.323 3.771 30 20 CHED C[C@H]1C[C@@H](C)N(c2ccc(C(F)(F)F)cc2C#N)C1 133206909 HGLIWFHARHHYNO-VHSXEESVSA-N 268.282 3.812 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cc(F)ccc1Cl 188517763 VOSIIUAOSLUAMW-CQSZACIVSA-N 285.746 3.646 30 20 CHED N#Cc1cccnc1Oc1ccc(F)c(Br)c1 137062362 YTUNXTGVRLCGRJ-UHFFFAOYSA-N 293.095 3.647 30 20 CHED CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C 412022728 AYUAIWHYPVXFAY-ARFHVFGLSA-N 284.403 3.603 30 20 CHED C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccc(C#N)cc1 229274375 XLOQREBLBDCPQK-PBHICJAKSA-N 284.403 3.701 30 20 CHED CC(C)Cc1ccc(/C=C/C(=O)c2cnn(C)c2)cc1 88304953 OKNXNEXAHQHBOY-CMDGGOBGSA-N 268.360 3.515 30 20 CHED N#CC1(CSCc2nccn2-c2ccccc2)CCC1 419487219 AUBQNGUQIPDAIQ-UHFFFAOYSA-N 283.400 3.799 30 20 CHED CC1(C)C[C@@H]1/N=C(/O)[C@@H]1CCC[C@@H]1/C(O)=N/[C@@H]1CC1(C)C 328907444 CCNCZRHXFGMJCT-FNFFVJSTSA-N 292.423 3.913 30 20 CHED COc1ccc(CN(C)Cc2cccc(C)c2)cc1C#N 87833204 VRMOQXHTJVJSTR-UHFFFAOYSA-N 280.371 3.507 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/C1CCC(F)(F)CC1 329443674 BYIHYNDNHNJGOP-UHFFFAOYSA-N 284.306 3.743 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cc(F)ccc1F 131638116 PWPMXYDFULYJSD-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCc1ccc(CN(C)C(=O)C(C#N)(CC)CC)cc1 527668262 YZZXPHRSLGVNOP-UHFFFAOYSA-N 272.392 3.537 30 20 CHED C=CCN(C)[C@H](C)c1ccccc1Br 194974309 QFGSDEBAIZFWKR-SNVBAGLBSA-N 254.171 3.628 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2cc(C#N)cs2)cc1 84076288 RXHQFXADTAPQQN-LBPRGKRZSA-N 284.384 3.761 30 20 CHED CCCCCCC[S@](=O)Cc1cn2ccccc2n1 133749629 UZTWWANUINVAMW-LJQANCHMSA-N 278.421 3.553 30 20 CHED OC[C@@H]1CCC[C@H](C/N=C(/O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 328584543 QFDQBVCVAUNFEB-ARKGTOAJSA-N 279.424 3.568 30 20 CHED C=CCC[C@@H](NC(=O)c1ccccn1)c1ccccc1 133848886 AIQBIGIKVGASNH-OAHLLOKOSA-N 266.344 3.519 30 20 CHED C=CCCCCCN[C@H](COC)c1ccc(C)o1 193547814 SJJLYIWGYLAZPK-CQSZACIVSA-N 251.370 3.612 30 20 CHED N#CCC[C@@H](NCc1cccc(O)c1)c1ccccc1 130607857 JNRNKZOPCXACLD-QGZVFWFLSA-N 266.344 3.527 30 20 CHED CC(C)(CCC#N)COC(=O)[C@H]1C[C@@]12CCc1ccccc12 195063786 YZNGKFPHRYOUJZ-VQIMIIECSA-N 297.398 3.764 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CC[C@@H](SC)C1)c1ccccc1 136198217 FTVIHYMWZOFDJU-FVQBIDKESA-N 289.444 3.747 30 20 CHED CC[C@H](CSc1ccccc1)NCc1cc(C#N)n(C)c1 191472025 SGINARZKSFUUPL-OAHLLOKOSA-N 299.443 3.557 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(Cl)cc1OCC 133883636 KBICUZSYLXEZJT-UHFFFAOYSA-N 294.782 3.945 30 20 CHED CCCCCCCCC[S@](=O)C[C@@H]1CCCO1 191644053 XLKFSMNALXFBIT-YOEHRIQHSA-N 260.443 3.665 30 20 CHED C[C@@H]1C[C@H](/N=C(/O)CCc2cc3ccccc3o2)CCO1 329089930 ITAQHQPOWKFFHM-TZMCWYRMSA-N 287.359 3.889 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/C1CC(C(F)(F)F)C1 329479553 VFUAKIPLLVOURM-UHFFFAOYSA-N 288.269 3.506 30 20 CHED C=CC[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1C(C)C 424683363 XKGMVMQJVKWCQS-AWEZNQCLSA-N 297.402 3.690 30 20 CHED CC(C)(CNCc1ccc(C#N)o1)C1CCCCC1 498381186 XIZSOBYHLXCDRV-UHFFFAOYSA-N 260.381 3.847 30 20 CHED C=CCCC[C@H](C)NCc1nc(-c2ccccc2)c[nH]1 194410201 YLLOBIBEPHIJQE-AWEZNQCLSA-N 269.392 3.911 30 20 CHED C[C@@H]1CCCC[C@@H]1/N=C(/O)[C@H]1CCC(=O)c2cccn21 329833995 GSJOQVFPYFQUSS-MBNYWOFBSA-N 274.364 3.541 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC2(Sc3ccccc3)CC2)C1 192850486 QLHZAQNDANRKDG-HUUCEWRRSA-N 286.444 3.983 30 20 CHED C=CCSCCNC(=O)[C@@H](CCC)c1ccccc1 194503585 HTVRQPQHCSVIFH-HNNXBMFYSA-N 277.433 3.606 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@@H]2C(C)C)c1 144291013 KCAOILPUOUEHGY-MRXNPFEDSA-N 288.391 3.904 30 20 CHED C[C@@H](OC(=O)c1cccc(CC#N)c1)c1cccc(F)c1 194063605 HXBZFTORXBGESH-GFCCVEGCSA-N 283.302 3.810 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCCC[C@@H]2c2ccccc2)C1 424333921 UVROVLWGPWETBK-BZZMCLGOSA-N 268.404 3.995 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1ccccc1OCC#N 194106110 BQOCCWYWVJUUFK-AWEZNQCLSA-N 288.391 3.534 30 20 CHED Cc1ccc(C(=O)NCC2(C#N)CCC2)c(Cl)c1Cl 335644877 WPTRKLFMDBKYFR-UHFFFAOYSA-N 297.185 3.726 30 20 CHED Cc1coc(C)c1/C(O)=N/[C@@H](C(=O)OC(C)(C)C)C(C)C 330467415 JBGUYTRYZBMJDM-CYBMUJFWSA-N 295.379 3.567 30 20 CHED Cc1cc(C)cc(/C(O)=N/CC2(C(=N)O)CCCC2)c1 330794624 DHYPTCLSZCGZQI-UHFFFAOYSA-N 274.364 3.704 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 336231122 QXVGCIJXDPUSDA-LKFCYVNXSA-N 297.185 3.502 30 20 CHED Cc1cc(NC(=O)Nc2ccc(C#N)cc2)c(C)cc1O 235831618 JICAUZZTVCKLQI-UHFFFAOYSA-N 281.315 3.525 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1nc(C2CC2)cs1 336085546 LTAUFHQOXWIZBT-LLVKDONJSA-N 277.393 3.593 30 20 CHED CCCc1csc(CN(CCC#N)CC(C)(C)C)n1 426403894 XXJKVGGIHBQNBV-UHFFFAOYSA-N 279.453 3.857 30 20 CHED CCC[C@@H]1CCCCN1/C(O)=N/CCc1ccc(O)cc1 330825678 FMORLXOUUKXWDC-OAHLLOKOSA-N 290.407 3.503 30 20 CHED CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(F)(F)F 436109829 AXWSBLFHUCAXSP-BXKDBHETSA-N 299.296 3.657 30 20 CHED CCCN(CC#N)Cc1cnc(-c2cccs2)s1 92398362 UWGRUBXEQBLVAT-UHFFFAOYSA-N 277.418 3.607 30 20 CHED Cc1ccc(C(C)(C)CC(=O)Nc2cc(C#N)ccn2)cc1 436015971 OYLUANGZUSMYIY-UHFFFAOYSA-N 293.370 3.568 30 20 CHED C=C[C@@H](C)NC(=O)Nc1c(CC)cc(C)cc1CC 435178857 VQQBUBWOBYIEBQ-GFCCVEGCSA-N 260.381 3.816 30 20 CHED N=C(O)C1(C/N=C(/O)C[C@@H]2C=CCCC2)CCCC1 330208152 AWPIFQXOLJZJTI-GFCCVEGCSA-N 264.369 3.785 30 20 CHED C=C[C@@H](C)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 92959232 JOLHSNYWEHPSHR-VXGBXAGGSA-N 265.784 3.599 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 529170713 LPDAIHVZCFPFLO-WBVHZDCISA-N 298.430 3.714 30 20 CHED N#Cc1cc2c(nc1NCCOC1CCCCCC1)CCC2 522799469 ZYAMWUACXMSYMZ-UHFFFAOYSA-N 299.418 3.593 30 20 CHED CC[C@@H](NCC(C)(C)CCC#N)c1ccc(C#N)cc1 348202639 AQRFBIUZNFXNCG-MRXNPFEDSA-N 269.392 3.929 30 20 CHED Cc1cc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)ccn1 527533586 IILJDUNBYFETIH-MOPGFXCFSA-N 291.398 3.662 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1nc2c(F)c(F)ccc2s1 346744390 ZKOKXIILTSOPRE-SSDOTTSWSA-N 297.330 3.661 30 20 CHED Cc1ccc([C@H](NCC2(CC#N)CC2)C2CCC2)o1 430725045 PRRSJWYNCULIFM-OAHLLOKOSA-N 258.365 3.713 30 20 CHED CSc1ccc2[nH]c(-c3ccc(C#N)cc3)nc2c1 435679798 AHXBPHGCNZESPO-UHFFFAOYSA-N 265.341 3.823 30 20 CHED CCN(CCc1cccs1)C(=O)Nc1cccc(C#N)c1 520161187 MYEZUKQCMQAKJB-UHFFFAOYSA-N 299.399 3.716 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H](C(C)(C)C)CC1 604716722 LMBBFOVSUZNEBU-CABCVRRESA-N 281.440 3.642 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1sc(C)cc1C 602280213 LNEAKRUKROACSP-UHFFFAOYSA-N 278.421 3.957 30 20 CHED N#Cc1csc(/C=C\C(=O)c2cc(F)cc(F)c2)c1 255114180 VTNXKWJFBFQXFH-UPHRSURJSA-N 275.279 3.794 30 20 CHED CCN(CCC#N)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 343873713 NQEFBTXXGMSAKI-UONOGXRCSA-N 264.413 3.601 30 20 CHED Cc1nc(CON=Cc2ccc(C(C)C)cc2)oc1C 255900940 AJJGJXHMWLIVNV-UHFFFAOYSA-N 272.348 3.966 30 20 CHED N#Cc1cscc1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 340197579 KNKVHTPBZVXDEN-GOEBONIOSA-N 296.395 3.686 30 20 CHED COc1cccc(C=Nc2ccc(C)cc2C)c1O 254430458 VHNMQYWVZAUNMG-UHFFFAOYSA-N 255.317 3.768 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cnccc1-c1ccccc1 344241443 OJWKODQITXNDGS-CQSZACIVSA-N 296.370 3.668 30 20 CHED CCCCc1ccc(NC(=O)c2cnccc2C#N)cc1 340953216 DNQBHALKLIONJS-UHFFFAOYSA-N 279.343 3.548 30 20 CHED N#Cc1ccc(Cl)cc1NC1CCN(C2CCC2)CC1 296133807 WUFNFSSAXKXLSS-UHFFFAOYSA-N 289.810 3.640 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CC[C@H](CC)O2)n1 340789338 BUQHIZYPLZDKKN-WDEREUQCSA-N 250.342 3.553 30 20 CHED N#Cc1c(Cl)cccc1NCCOc1cccc(F)c1 603628840 DIRUKRHKMZXSTJ-UHFFFAOYSA-N 290.725 3.842 30 20 CHED COCc1cc(C#N)ccc1NCc1cc(C)ccc1OC 603273078 VMZHQXVLSPTKPQ-UHFFFAOYSA-N 296.370 3.634 30 20 CHED C[C@@H](CCC#N)CNCC(C)(C)c1cccc(F)c1 602545653 HZSJNZLUUHHAGW-ZDUSSCGKSA-N 262.372 3.633 30 20 CHED CC#CCN1CCC[C@@H]1c1cccc(Br)c1 607724161 OOERFSJKUDMCML-CQSZACIVSA-N 278.193 3.609 30 20 CHED FC(F)(F)Oc1ccc(C#CCSc2ncco2)cc1 446133311 WXEGTHIRJVGJHZ-UHFFFAOYSA-N 299.273 3.717 30 20 CHED C=CCC1(C(=O)N2CCS[C@@H](C(C)C)C2)CCCC1 449985430 CHQGCUPSRXZPEB-CQSZACIVSA-N 281.465 3.723 30 20 CHED C[C@H](Nc1cccc2c1OCC2)c1ccc(C#N)cc1 600853216 YWGNUECUUJBHJQ-LBPRGKRZSA-N 264.328 3.666 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@H]1CC[C@@H](C)C1 350740538 DQIDCTVTFYJNLS-MCIONIFRSA-N 276.428 3.602 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(-n2nccc2C)cc1 352535209 NVMWDYHAEYAMQH-UHFFFAOYSA-N 297.402 3.513 30 20 CHED CC(C)Oc1ccc(CNC[C@H](C)CCC#N)cc1 602509322 RKZBAKZGJZLEMQ-CQSZACIVSA-N 260.381 3.503 30 20 CHED CSc1ccc(Cl)cc1NC(=O)N(C)C[C@@H](C)C#N 264054022 JSXBTZZJUITHLO-VIFPVBQESA-N 297.811 3.685 30 20 CHED C=CCC[C@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1ccco1 530399667 ACGMNMJLZIAAGQ-XGUBFFRZSA-N 263.381 3.833 30 20 CHED C=CCCC1(C(=O)Nc2ccc3nc(OC)ccc3c2)CC1 355605275 IOIYCPXDWIMBCA-UHFFFAOYSA-N 296.370 3.928 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(COc3ccccc3C#N)n2)C1 356221085 QAOWHRJZHBBMHX-CHWSQXEVSA-N 297.358 3.814 30 20 CHED C=CCc1ccccc1OCC(=O)N(C1CC1)[C@H](C)C1CC1 531374093 TVRRTROJEVGOHP-CQSZACIVSA-N 299.414 3.583 30 20 CHED C=C1CCN(C(=O)c2cccc3c(C)c(C)[nH]c23)CC1 264458691 GIDWRYUCJCYAGJ-UHFFFAOYSA-N 268.360 3.577 30 20 CHED CCOc1cccc([C@@H](C)NCc2cccc(C#N)c2F)c1 537078967 YUEGISKWEKYWKH-CYBMUJFWSA-N 298.361 3.947 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NCc2ccc(C#N)s2)c1 539518162 BTWIOGZDPCWHCR-CQSZACIVSA-N 284.428 3.957 30 20 CHED C=CCOc1ccc(CNCC(C)(C)C#N)cc1Cl 612587909 CDNUGQVWFRCSHE-UHFFFAOYSA-N 278.783 3.544 30 20 CHED C=CCN(CC=C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 355446826 LNZQANNVSOXPPR-INIZCTEOSA-N 286.419 3.613 30 20 CHED C[C@H](C#N)CN(C)[C@H](C)c1cccc2ccccc12 532533654 ZBMPHIUBHHTNRE-ZIAGYGMSSA-N 252.361 3.992 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 353629515 WJAKAKZBJCLXCT-UONOGXRCSA-N 287.407 3.611 30 20 CHED C=CCC1(C(=O)Nc2cnc3c(c2)CCCC3)CCC1 359878376 PDMDWEGECNSYRI-UHFFFAOYSA-N 270.376 3.645 30 20 CHED CC[C@H](CN(CCC#N)Cc1ccccn1)c1ccccc1 353421078 YAYGNMFICQVAGP-QGZVFWFLSA-N 293.414 3.991 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 352775619 LSNCZSRSKQVEPE-MAUKXSAKSA-N 289.419 3.607 30 20 CHED CCCCN(C(=O)CCCC#N)[C@@H]1CCC[C@@H](C)C1 359337123 RSZYYOWJFTXSQS-HUUCEWRRSA-N 264.413 3.888 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCCc2ccc(F)cc21 350830344 PASOBSLFLWCGAX-ZBFHGGJFSA-N 290.382 3.857 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCCc1nccs1 611394901 RCHVAUYUCVCCRT-MRXNPFEDSA-N 297.427 3.615 30 20 CHED Cc1cscc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618762282 UQAVIFGMBZIMND-AWEZNQCLSA-N 297.383 3.737 30 20 CHED Cc1cscc1-c1noc(COc2ccccc2C#N)n1 445629246 MNSLOLCAMCATOB-UHFFFAOYSA-N 297.339 3.557 30 20 CHED N#CC1(CCCSCCCCF)CCOCC1 350766415 BKLUBCCOTBHSBU-UHFFFAOYSA-N 259.390 3.570 30 20 CHED N#Cc1ccc(SCc2cc[nH]n2)cc1C(F)(F)F 352161372 WMKSETGCPFCZIW-UHFFFAOYSA-N 283.278 3.592 30 20 CHED CC(C)c1ccsc1C(=O)N1CCc2ccc(C#N)cc21 611139740 WVWHAWRWXFMBOU-UHFFFAOYSA-N 296.395 3.946 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc2nc[nH]c2c1 535795735 KSGAZEQIDHVDDV-UHFFFAOYSA-N 277.371 3.751 30 20 CHED CCc1c(C)nc2ccccc2c1N1CC[C@@](F)(C#N)C1 615526831 AIVXHRRKDNGWAK-QGZVFWFLSA-N 283.350 3.548 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 456121283 XCQVIMFUTHBRQO-GHMZBOCLSA-N 277.330 3.684 30 20 CHED CCOC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(C)C 616094584 GAMZDCJWPXUCAT-MSOLQXFVSA-N 286.419 3.586 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1CCC(C)(C)C#N 451145219 JYNNAJXGWDIKHE-TUAOUCFPSA-N 276.346 3.978 30 20 CHED CCCN(CC)CC#Cc1ccc(OC(F)(F)F)cc1 533324082 LRVQXJSOCPKFMA-UHFFFAOYSA-N 285.309 3.669 30 20 CHED Cc1ccc(-c2n[nH]cc2CN2CCC[C@](C)(C#N)C2)cc1 612407177 ZTBCNVOUPXFUJL-GOSISDBHSA-N 294.402 3.511 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(SC)ccc1C 452774146 CTUNQQBIFZJQPL-UHFFFAOYSA-N 263.406 3.659 30 20 CHED N#Cc1cc(Cl)ccc1SCc1nnc(C2CC2)o1 610655216 VHENLBYHWRGIMN-UHFFFAOYSA-N 291.763 3.764 30 20 CHED C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CCC(C)(C)C#N)C1 368267528 QCFDZSIOSHEYMX-NCOADZHNSA-N 292.467 3.578 30 20 CHED C=CCCCCCN(C)C(=O)NCCc1sccc1C 538038671 ZBDWGTBSVBOYFY-UHFFFAOYSA-N 294.464 3.987 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccccc1)CC1CCC1 455313480 QMOSUWAVDKYYNN-UHFFFAOYSA-N 286.419 3.965 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2NCC(C)(C)C#N)cc1 613540368 OIOREAJSYLFUGQ-JKSUJKDBSA-N 256.393 3.771 30 20 CHED C=CCSc1ccccc1C(=O)NCc1ccc(O)cc1 362721125 DUYFLIXFGHUNQC-UHFFFAOYSA-N 299.395 3.600 30 20 CHED CN(C)CC(C)(C)CN[C@@H]1CCCCc2cc(C#N)ccc21 360838712 DLWTUSFGWSILSW-GOSISDBHSA-N 299.462 3.503 30 20 CHED CC(C)(C#N)CCCC[S@](=O)Cc1ccccc1F 277526208 DDHSPUGAYDLZSE-IBGZPJMESA-N 281.396 3.794 30 20 CHED Cc1ccccc1C[C@@H]1CCCN1CC1(C#N)CCC1 450402018 BFOXDDBSIMGUGS-KRWDZBQOSA-N 268.404 3.696 30 20 CHED C=CC(C)(C)CNC(=O)c1c(C)nc2ccccc2c1C 456111923 BZMKXCFVEAMYHW-UHFFFAOYSA-N 282.387 3.794 30 20 CHED C=CCSc1ccccc1C(=O)N(CC)C[C@H](C)C#N 362839072 GPFVMLQSYOVZCU-CYBMUJFWSA-N 288.416 3.586 30 20 CHED C=CCC[C@@H](CO)N[C@@H](CCC)c1ccsc1 453359634 PAOSCFIVJWQWFG-KBPBESRZSA-N 253.411 3.506 30 20 CHED C=C(C)CCNC(=O)C(C)(C)c1ccc(Cl)cc1 452716449 HYZCYAHVKGPLAW-UHFFFAOYSA-N 265.784 3.700 30 20 CHED C=CCn1c(S[C@@H]2CC[C@@H](C)C2)nnc1C1CC1 272439870 STDAZQDPMLAZQV-ZYHUDNBSSA-N 263.410 3.622 30 20 CHED CC(C)(C#N)CC(=O)Oc1cccc(Cl)c1Cl 278353933 XNXBVEBZGULSMB-UHFFFAOYSA-N 272.131 3.839 30 20 CHED N#Cc1ccc(Sc2ncc(C#N)cc2Cl)c(F)c1 361117744 NRWPEIRYXPDTFT-UHFFFAOYSA-N 289.722 3.769 30 20 CHED COc1ccc([C@H](CCC#N)NCc2cccc(C)n2)cc1 547014024 PZELBEKLAWKJDP-SFHVURJKSA-N 295.386 3.533 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Br)cnc1C 452992469 BYTJDUAJZHYSCO-CYBMUJFWSA-N 297.196 3.693 30 20 CHED C=CCC[C@@H](C)N[C@H](CN(C)C)c1ccc(Cl)cc1 549611714 WPAYLOYXWAMHMO-CZUORRHYSA-N 280.843 3.887 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(Cl)cc1C)OCC 270030206 DJEJVZHMJRGCHN-AWEZNQCLSA-N 281.783 3.958 30 20 CHED Cc1cc(CN(C)C[C@@H](C)C#N)ccc1Oc1cccnc1 271127731 LYTRKHAQPGOQCZ-AWEZNQCLSA-N 295.386 3.774 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C#N)ccc1OC(C)C 278300421 HVUDCHLVWAOGGS-UHFFFAOYSA-N 274.364 3.661 30 20 CHED C=C[C@H](CC(=O)N(CC)Cc1ccncc1)c1ccccc1 270353221 PCEMPVGYJBAXCE-QGZVFWFLSA-N 294.398 3.790 30 20 CHED N#Cc1csc(-c2nc(C3Cc4ccccc4C3)no2)c1 547089768 GNUMISOWJNHLTP-UHFFFAOYSA-N 293.351 3.552 30 20 CHED C=CCCN(C)C(=O)NCc1c(C)c(C)c(C)c(C)c1C 466775025 JQMLXXBLDXMRMH-UHFFFAOYSA-N 288.435 3.946 30 20 CHED C=CCCN(C)C(=O)NCC1CCC(C(C)C)CC1 467101967 QYVHNTMBRXCZMK-UHFFFAOYSA-N 266.429 3.666 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Cc1coc2ccccc12 551979744 YFLKOVZYABBPSG-UHFFFAOYSA-N 290.322 3.794 30 20 CHED C=CCN(CCOC)C(c1ccccc1)c1ccccc1 554848946 UCMSMCJPJWQUDB-UHFFFAOYSA-N 281.399 3.910 30 20 CHED CC#CCCN1CCc2c(ccc(Cl)c2Cl)C1 462310982 HGYSDMZFYCECQU-UHFFFAOYSA-N 268.187 3.765 30 20 CHED N#CC1(C(=O)N2CCc3cc(Cl)ccc32)CCCCC1 557510146 IZRYTNBIIAWZSY-UHFFFAOYSA-N 288.778 3.703 30 20 CHED C=CCC[C@H](NC(=O)CCC1(O)CCC1)c1ccccc1 632001894 GEIWJHCWXLXJBQ-INIZCTEOSA-N 287.403 3.505 30 20 CHED C[C@@](C#N)(NC(=O)c1ccc2c(c1)CCC2)C1CCCCC1 550351916 UCKSFNWGJMFFTB-IBGZPJMESA-N 296.414 3.768 30 20 CHED CCCC[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 282353547 AIKFDCZWAIGBHF-AWEZNQCLSA-N 284.403 3.876 30 20 CHED CCCOc1cc(C)ccc1CNc1cc(C)nc(C#N)c1 557607728 XFAYNDDDRDTYIM-UHFFFAOYSA-N 295.386 3.971 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](C)CCC2CC2)c1 469659409 GQXMRLMIZYJAFB-CYBMUJFWSA-N 288.391 3.952 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 466378946 AQJHPQHSQZFMJW-GHMZBOCLSA-N 292.345 3.714 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)[C@H](C)c1cccc(C#N)c1 462135162 GQQWALDPUSIBAT-QLFBSQMISA-N 284.403 3.699 30 20 CHED N#CCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 285365117 FNEKHCAXJRVODJ-ZACQAIPSSA-N 254.377 3.558 30 20 CHED CN(CCCc1ccccc1)Cc1ccc(CC#N)cc1 558150417 NDRUTZIVDUJRTB-UHFFFAOYSA-N 278.399 3.817 30 20 CHED C=CCN(CCOC)[C@H](C)c1ccc(Cl)cc1 553997564 UWHNARINLZRWAM-GFCCVEGCSA-N 253.773 3.535 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](c1nccn1C)C1CC1 552087577 LDAUWMMBTVCWRL-HUUCEWRRSA-N 261.413 3.596 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 553362909 RIWBPCZRSDGUNY-CQSZACIVSA-N 297.402 3.591 30 20 CHED C=CCn1c(SCC2(C#N)CCCC2)nnc1C1CC1 806584660 OQWLIDDTLGEDGM-UHFFFAOYSA-N 288.420 3.518 30 20 CHED CCCC[C@@H](C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 800409931 RYQRRAUXHCEWJI-CHWSQXEVSA-N 281.359 3.632 30 20 CHED C[C@H](OC(=O)c1cnccc1C#N)c1cc2ccccc2o1 808756570 PKMFDDXEXBEMPL-NSHDSACASA-N 292.294 3.617 30 20 CHED C#Cc1ccc(CNc2cc(F)c(OC)cc2F)cc1 809635259 VGMRFCICCWCVGO-UHFFFAOYSA-N 273.282 3.567 30 20 CHED CCCC[C@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 800387656 QPNSZHYRVCAAKO-NWDGAFQWSA-N 270.332 3.830 30 20 CHED CC[C@@H](OC(=O)CCCCCC#N)c1ccc(F)cn1 806001888 RMYYQWNKLALMOM-CQSZACIVSA-N 278.327 3.689 30 20 CHED CC(C)(NC(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 560438860 NQXLXZGESYCLET-UHFFFAOYSA-N 291.782 3.716 30 20 CHED C#Cc1cc(F)c(NCCc2cccs2)c(F)c1 802744030 JRIKMNWEEVIQGP-UHFFFAOYSA-N 263.312 3.662 30 20 CHED N#Cc1ccc(CNc2ccc([C@H]3CCOC3)cc2)cc1 292867324 BBIGNFQKUVQKAP-KRWDZBQOSA-N 278.355 3.674 30 20 CHED C=CCC1(C(=O)NCCc2ccc(F)cc2Cl)CCC1 479105124 MFYHFMWFRVRDGP-UHFFFAOYSA-N 295.785 3.884 30 20 CHED C=CCCCCCCNC(=O)C[C@H]1CCO[C@H](CC)C1 805218075 RAAWSJDGMLPKFP-JKSUJKDBSA-N 281.440 3.834 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CCC1 294114674 RYFJRLFSJBZADG-KOMQPUFPSA-N 287.378 3.934 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cccc([N+](=O)[O-])c1C 477747500 QEFZIOGDQDWCLW-YPMHNXCESA-N 262.353 3.594 30 20 CHED CCC[C@H](CC)SCC(=O)Nc1ccc(C#N)cc1 477055584 GZBBTFPWWZLEOD-AWEZNQCLSA-N 276.405 3.809 30 20 CHED C=CCCCCCCCCNC(=O)c1c[nH]cc1C 807843194 FJTMZEUGSKBYMO-UHFFFAOYSA-N 262.397 3.970 30 20 CHED CCC(C)(C)OCc1ccccc1NCCO[C@@H](C)C#N 802743036 CKKXQVQKTRMSBI-AWEZNQCLSA-N 290.407 3.732 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(SC(C)C)cc1 292583906 YVMHVRAPCSUPNE-UHFFFAOYSA-N 288.416 3.729 30 20 CHED N#Cc1ccc(N[C@H](CO)C2CCCC2)cc1C(F)(F)F 395179787 UWQQYXSZRLRFQT-CQSZACIVSA-N 298.308 3.540 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@@](C)(C#N)CSC 809137135 RPNBZJKZWATJCG-ZFWWWQNUSA-N 284.469 3.744 30 20 CHED C#Cc1ccc(CN2C[C@H](C)O[C@H](c3ccccc3)C2)cc1 809553217 ZKZVXZNXZKYRGW-JXFKEZNVSA-N 291.394 3.630 30 20 CHED C=CCCCCN1CC[C@H](CN(CC)CC(F)(F)F)C1 566778506 OSMCDOMWQKPALC-CQSZACIVSA-N 292.389 3.549 30 20 CHED C=C[C@@](C)(CC)c1nc([C@@H]2CCN(C)c3ccccc32)no1 568694637 OBYWOMHUWXEFKJ-KDOFPFPSSA-N 297.402 3.895 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCSC[C@H](C)C3)c2c1 487750681 MVYGVPHPHSTZQE-CYBMUJFWSA-N 297.427 3.604 30 20 CHED C=CCCCCNC(=O)N1CCC=C(c2ccccc2)C1 560105691 QQTLWNVJRZFESI-UHFFFAOYSA-N 284.403 3.842 30 20 CHED CC(C)[C@H]1N(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1(C)C 480517872 ZAYATZRPCNSPSR-XJKSGUPXSA-N 284.403 3.555 30 20 CHED C=CCCCS(=O)(=O)N(c1ccc(C)cc1)C(C)C 489294971 SCHTWPFZVDQZEH-UHFFFAOYSA-N 281.421 3.506 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](CC)C1CCCCC1 815225241 YOIURLDLRWIXPA-GFCCVEGCSA-N 259.340 3.673 30 20 CHED CC#CCN(C)C(=O)c1ccccc1Nc1ccc(C)cc1 567305382 IIMUEEIREZUEOZ-UHFFFAOYSA-N 292.382 3.834 30 20 CHED CC(=NOC1CCC1)c1cc(C)ccc1OC(F)F 812237393 XUOAKMCJXQMLQV-UHFFFAOYSA-N 269.291 3.890 30 20 CHED Cc1cc(C)c(NN=Cc2c(C)nn(C)c2Cl)c(C)c1 812489306 XNUSPUORIIYXDJ-UHFFFAOYSA-N 290.798 3.753 30 20 CHED C=CCCCCCN[C@@H](COC)c1ccc(F)c(F)c1 488161009 ALLNQVCCNOXISN-INIZCTEOSA-N 283.362 3.988 30 20 CHED COc1ccc(C(=O)/C=C\c2c(C)cccc2C)cc1O 811699732 YOZAWILOLITXRD-HJWRWDBZSA-N 282.339 3.914 30 20 CHED C#CCCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 810075180 GIONVZKLRXYJAO-IBGZPJMESA-N 279.383 3.592 30 20 CHED CC(C)(C)CCNN=Cc1conc1Cc1ccccc1 814901627 DRAPROCDMWCPGK-UHFFFAOYSA-N 285.391 3.625 30 20 CHED C[C@H](CC1CCCCC1)Nc1ncc([N+](=O)[O-])cc1C#N 486027211 IPOAGRJJKIAPNT-LLVKDONJSA-N 288.351 3.632 30 20 CHED Cc1cc(C)c(NN=C2CC[C@@H](CC(=O)O)[C@H]2C)c(C)c1 814860331 PMCSDUQCFNOALY-KGLIPLIRSA-N 288.391 3.901 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cn1 480784475 HACQZTHRYOHDRL-DZGCQCFKSA-N 281.334 3.841 30 20 CHED Cc1ccc(-c2n[nH]cc2C=NOCCC2CC2)cc1 814244989 HDUVHEMUJKWONR-UHFFFAOYSA-N 269.348 3.536 30 20 CHED C=CC[C@@H](C(=O)N1CCCC(F)(F)C1)c1ccccc1 650315946 USURDVPYLQXFJS-CQSZACIVSA-N 279.330 3.604 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc2nc(O)[nH]c2c1 812435614 PBJVQBFXSUCLGE-UHFFFAOYSA-N 294.358 3.721 30 20 CHED C/C=C(/C=C\C(=O)N[C@H](C#N)c1ccc(CC)cc1)CC 813677981 KSURXWMPRAKDBY-QNKODLEPSA-N 282.387 3.842 30 20 CHED CC[C@H]1CCCCN1CCN[C@H](CC)c1ccc(C#N)cc1 573057112 ODXIZOIMEWQAPF-RBUKOAKNSA-N 299.462 3.863 30 20 CHED COc1ccc2cc(C=NOC3CCC3)ccc2c1 812235298 COSFAWGDEQYHBI-UHFFFAOYSA-N 255.317 3.751 30 20 CHED CC(=NNC[C@H]1CCSC1)c1cccc(C2CC2)c1 814935357 LGDKEJLYEOJAAR-CYBMUJFWSA-N 274.433 3.631 30 20 CHED Cc1cc(C(=O)N(C)C[C@@H](C)C#N)sc1-c1ccccc1 578245443 OXQFNLYLEBPQED-LBPRGKRZSA-N 298.411 3.955 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C)c2ncccc12 814877487 PUVVIRXVQBLWSI-UHFFFAOYSA-N 276.286 3.693 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1 489606505 RLAYFNVOSSXXJB-MRXNPFEDSA-N 294.373 3.995 30 20 CHED N#Cc1c(F)cccc1COc1cccc(C(F)(F)F)n1 488298810 VSSSTGWECUTGMK-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C=CCCC(=O)O[C@H](C)c1nnc(-c2ccc(C)cc2)o1 726651758 VLKWUTKFIONKDE-GFCCVEGCSA-N 286.331 3.615 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1ccc(C(F)F)cc1 577453375 KGEQMEXXJDOLIW-IBGZPJMESA-N 285.359 3.813 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1oc2ccccc2c1C 488847875 ATTZJFHOIMNRHW-CYBMUJFWSA-N 269.344 3.922 30 20 CHED Cc1cccc2c1C/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 729149002 CBERKAVWAANZOQ-MDWZMJQESA-N 279.295 3.726 30 20 CHED C(=NNC1CCCC1)c1cnc(-c2ccccc2)s1 727651621 ITMKPZCNDYJAQZ-UHFFFAOYSA-N 271.389 3.676 30 20 CHED C=CC[C@H]1N(c2nnc(CCCC)n2C)CCCC1(C)C 571247571 TYVXBBGELVEUMZ-CQSZACIVSA-N 290.455 3.729 30 20 CHED C[C@@H]1[C@@H](C(=O)N2CCC(CCC#N)CC2)[C@@H]1c1ccccc1 572724431 NRHPZTCTFPMOAR-JCGIZDLHSA-N 296.414 3.578 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccccc2C#N)C1 728854734 RGROOLFRFJWECB-DGYMPUIQSA-N 296.414 3.902 30 20 CHED C=CCNC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 490000859 QKPIRPRHQNIXKM-CQSZACIVSA-N 260.381 3.567 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc3ccsc3[nH]2)c1 728536838 GPQJSOLGQHXRJI-UHFFFAOYSA-N 294.379 3.877 30 20 CHED COc1cc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)on1 821021594 IZIQACJNTSENAI-WAYWQWQTSA-N 297.232 3.598 30 20 CHED C=CCC1(C(=O)NCCOc2ccc(C)cc2C)CCC1 578107541 HPCNRVFUXDNVBG-UHFFFAOYSA-N 287.403 3.545 30 20 CHED C=CCCC(=O)Oc1ccc(Cl)cc1Br 726498510 VNWVQXWKXAEQKZ-UHFFFAOYSA-N 289.556 3.974 30 20 CHED CC(C)Cc1ncc(C(=O)Nc2cccc(CC#N)c2)s1 821951677 ATHJIAVWQZOSRQ-UHFFFAOYSA-N 299.399 3.660 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 823266608 ALCIDVQPLSWDNC-SECBINFHSA-N 291.782 3.606 30 20 CHED Cc1ccc(NN=C2CCC[C@H]2CCC(C)C)nn1 729937741 BTUQWUXXSKISAD-ZDUSSCGKSA-N 260.385 3.789 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1ccc(-c2cnco2)cc1 822354738 XRTOAHVTLLZKLJ-ZDUSSCGKSA-N 284.359 3.560 30 20 CHED C=CCC[C@@H](C(=O)Nc1ccc(C)nc1O)c1ccccc1 490201268 KNXJNFAHNGELHZ-OAHLLOKOSA-N 296.370 3.784 30 20 CHED C=C[C@@](C)(O)Cc1nc(-c2c(Cl)cccc2Cl)no1 904306255 QHCABOUMZYBLPA-CYBMUJFWSA-N 299.157 3.523 30 20 CHED CCCC[C@@H](C)N(C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 589648473 ORHKCLZESQNBLA-DYVFJYSZSA-N 299.418 3.766 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2cnn(C(C)C)c2)c1 734981094 OANKPPVSHNPULY-ALCCZGGFSA-N 272.323 3.808 30 20 CHED C[C@H](C(=O)OCc1cc(C#N)ccc1F)c1ccsc1 738838675 XUVLBLPPFLHBRX-JTQLQIEISA-N 289.331 3.606 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](CC)Cc2ccccc2)c1 732731203 SMYFQPGWUUOOFJ-KRWDZBQOSA-N 277.367 3.875 30 20 CHED CC[C@H](NC[C@](C)(O)c1ccccc1)c1cccc(C#N)c1 902804362 PBGUHXUGRJZQDF-OALUTQOASA-N 294.398 3.507 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)SCCCC 490212200 JVFGAENDHCEQMW-CQSZACIVSA-N 295.448 3.759 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)Cc1cccs1 663658252 KPUKAJRJXZAHAA-GFCCVEGCSA-N 280.437 3.723 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc2ccccc2c1 499487310 LUMRRGBXEWULSJ-SFHVURJKSA-N 280.371 3.898 30 20 CHED C=C[C@H](CC)CC(=O)OCc1ncc(C(C)(C)C)o1 904188284 YTMJSUXPHGNSPL-LLVKDONJSA-N 265.353 3.618 30 20 CHED CCO[C@@H]1CCC[C@H]1N[C@H](CC)c1cccc(C#N)c1 903013805 JCNKDNVARKZWAI-BRWVUGGUSA-N 272.392 3.557 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(OC)c(C)c1 495150879 YHDXFTTZVBDSTM-UHFFFAOYSA-N 285.387 3.827 30 20 CHED COc1ccc2[nH]cc(C=NNc3ccc(F)cc3)c2c1 730144122 HLQCFCWCSJFYTJ-UHFFFAOYSA-N 283.306 3.762 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](C2CCC2)C1 666448785 ONXOYWHOUIYZIJ-OAHLLOKOSA-N 288.439 3.604 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)NC(=O)C#CC(C)(C)C 837347450 VVPIVKIQERSUDO-CQSZACIVSA-N 287.403 3.701 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Nc1ccn(C)n1 730423753 WVTZOSCADCPSPA-ZDUSSCGKSA-N 280.416 3.538 30 20 CHED CCn1ccnc1C(C)=NNc1cc(Cl)ccc1C 901317651 MCXFNGLKEINDOX-UHFFFAOYSA-N 276.771 3.701 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(N2CCCCC2=O)cc1 839605244 IDPYZCQOFWAGLC-ZDUSSCGKSA-N 292.810 3.607 30 20 CHED CC(C)C(=NNc1cccc(Br)n1)C1CC1 835024285 JRDCFEJGCIXXGH-UHFFFAOYSA-N 282.185 3.678 30 20 CHED c1cncc(CON=C2CCC(OC3CCCC3)CC2)c1 834965520 CJLTZOKBEFAARD-UHFFFAOYSA-N 288.391 3.856 30 20 CHED Clc1cccc(C=NNc2cnnc3ccccc23)c1 733750278 RXZMJRYHEKUNIZ-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CCC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 839049771 HWECRUBTCWLDOK-IUODEOHRSA-N 285.343 3.518 30 20 CHED CCCCCC[C@H](CC)C(=O)N(CC)C[C@H](C)C#N 735037259 IUKUWFRYHYZSLH-CABCVRRESA-N 266.429 3.991 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2sc(CC)nc2C)c1 834902125 FIWHJBFQUXXHBK-LBPRGKRZSA-N 284.428 3.846 30 20 CHED C=CCCOCC(=O)Nc1cc(C(F)(F)F)ccc1C 673693531 BMPOLWMLDCUOKH-UHFFFAOYSA-N 287.281 3.545 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)O)c(Cl)c1 907553638 GVGYUEVLWUIGMP-SECBINFHSA-N 281.739 3.579 30 20 CHED Cc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1F 731490495 XZHZZPWKFLMCQN-CHHVJCJISA-N 272.250 3.889 30 20 CHED CC(C)[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 835123377 JZRBODAUFACRAK-BFHYXJOUSA-N 277.751 3.535 30 20 CHED C=Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 839062157 LCZXTUHGEAQKGY-UKRRQHHQSA-N 255.317 3.569 30 20 CHED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1ccccc1O 588598863 IPTTWPONOFYRLY-KHPPLWFESA-N 290.322 3.678 30 20 CHED C=CCC[C@@H](NCCc1ccc(CO)cc1)c1ccco1 671755362 UHVOXOLQQPSCFM-QGZVFWFLSA-N 285.387 3.612 30 20 CHED CC(C)CC[C@H]1CCC(=NNc2ncc(F)cn2)C1 834965840 AFPKXHLHOSBVEZ-NSHDSACASA-N 264.348 3.620 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc2c(c1)CCC(=O)N2 915935451 ZQUNFWWFUYMWTQ-UHFFFAOYSA-N 297.333 3.547 30 20 CHED CC1(C)CC(=NNc2ccc(F)cn2)c2ccccc21 731321650 NAYFWAJFOCHXHZ-UHFFFAOYSA-N 269.323 3.718 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CCCCC12CCCC2 835020591 IHVNDCSHVMSSLK-ZDUSSCGKSA-N 264.413 3.634 30 20 CHED C=CCN(C(=O)c1cc2ccc(C)cc2[nH]1)C(C)C 918701082 LBGQYWWQTVFSKX-UHFFFAOYSA-N 256.349 3.513 30 20 CHED CC(C)[C@@H]1N(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1(C)C 590927497 FJKMEYFDBPVWHD-CJNGLKHVSA-N 299.418 3.695 30 20 CHED C[C@H]1CC2(CCOCC2)CN1[C@H](C)c1ccc(C#N)cc1 592182656 NUILXTDWBWQHAS-LSDHHAIUSA-N 284.403 3.510 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCCC1 590748853 JBRLZYCUTHSCTP-QGZVFWFLSA-N 294.398 3.798 30 20 CHED CSc1cc(C(=O)N(CCC#N)CCC(C)C)c(C)o1 597144697 MHWXHYQXWGSUCY-UHFFFAOYSA-N 294.420 3.712 30 20 CHED COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)c(F)c1 844547471 DNVPUOJMKDQWBU-FNORWQNLSA-N 288.322 3.508 30 20 CHED Cc1ccccc1[C@H](NC(=O)N1CCC[C@H](C#N)C1)C(C)C 918143683 CXNDXPPALBPNMJ-NVXWUHKLSA-N 299.418 3.637 30 20 CHED N#CCCCOc1cccc(N[C@@H]2CCCn3ccnc32)c1 594512345 LFYDEMHFQSWVII-MRXNPFEDSA-N 296.374 3.513 30 20 CHED CC1(C)C(=NNc2ccc(Cl)cc2)[C@@H]2CCCO[C@H]21 743419732 YUWAFHZEPNJOPT-GXTWGEPZSA-N 278.783 3.943 30 20 CHED CC(C)c1ccc2c(c1)CN(c1ccc(C#N)cn1)CC2 596412150 YQDWFSNINLBIRG-UHFFFAOYSA-N 277.371 3.639 30 20 CHED C[C@@H](OC(=O)c1ccccc1CC#N)c1ccc(F)cc1 849211200 MGTIMVZWCGWKMG-GFCCVEGCSA-N 283.302 3.810 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1(c2cccc(C)c2)CCCC1 594094942 RATOTOOTNVWTKN-INIZCTEOSA-N 284.403 3.567 30 20 CHED CCN(CC)c1ncc(C=NNc2cccc(C)c2)s1 916256444 YTRYIDDTCHMERT-UHFFFAOYSA-N 288.420 3.744 30 20 CHED C=CCC[C@H](NCc1cc2cccc(CC)c2o1)C(=O)O 849230565 JBTIAJAFRNJXNA-HNNXBMFYSA-N 287.359 3.504 30 20 CHED Clc1ccc2c(c1)CCC2=NOCc1cccnc1 746588064 XGKKAWNCZNESCW-UHFFFAOYSA-N 272.735 3.602 30 20 CHED CC(C)CC1(N[C@H](C)c2ccc(C#N)cc2F)CC1 595095443 NKEZCYYAZXRCLD-GFCCVEGCSA-N 260.356 3.927 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)c1cccnc1 748085884 OUJOWYZYZHRPQM-UHFFFAOYSA-N 287.366 3.872 30 20 CHED Clc1cccc([C@H]2CCC(=NNc3cccnn3)C2)c1 841625161 DRBVPZJZDZKTJE-LBPRGKRZSA-N 286.766 3.866 30 20 CHED N#Cc1ccc(N(C(=O)[C@@H]2CC=CCC2)C2CCC2)cc1 598885898 SZCHHSWYBYORIM-OAHLLOKOSA-N 280.371 3.800 30 20 CHED C[C@@H]1CC(=NNc2cccc(Cl)c2Cl)CO1 842535647 HYRVBCIEVIUPCG-SSDOTTSWSA-N 259.136 3.570 30 20 CHED N#CCOc1cccc(OCCC2=CCCCC2)c1 842110148 JHOJZDMKOUUWRL-UHFFFAOYSA-N 257.333 3.858 30 20 CHED CCS[C@@H]1CCC[C@H]1N[C@H](C#N)c1ccccc1 595483915 JPBGUAYCIBCVLN-RBSFLKMASA-N 260.406 3.515 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc(-c2ccc(OC)cc2)cc1F 744178191 NTPKAULGJZIZRO-GFCCVEGCSA-N 298.313 3.680 30 20 CHED COc1ccc(SCC(=O)[C@@H](C#N)c2ccccc2)cc1 917137137 SQCGDORMWBLFLV-INIZCTEOSA-N 297.379 3.664 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 592626312 WQRNTLGRADSFFT-AEFFLSMTSA-N 294.398 3.798 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCCC1CCCC1 593957588 MUKXWBWLEDRGIT-OAHLLOKOSA-N 298.430 3.823 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1CC[C@H](C)CC1 844475408 VBZNLAQGXLWZEY-IHRRRGAJSA-N 286.375 3.742 30 20 CHED C[C@H]1Cc2cc(CN[C@@H](C)c3ccc(C#N)cc3)ccc2O1 921516976 WXZRGBXRZSINLQ-KBPBESRZSA-N 292.382 3.732 30 20 CHED CC(C)N(CCCSCC#N)c1cccc(F)c1 595824863 PQEUGIBPLJGGIU-UHFFFAOYSA-N 266.385 3.687 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 840847154 LKLFWCVMTLZBQI-HZPDHXFCSA-N 288.460 3.705 30 20 CHED CCCCC[C@H](C(=O)N1CCC[C@H](CC#N)C1)C(C)C 855254056 DBLZRQDETPQXCP-CVEARBPZSA-N 278.440 3.991 30 20 CHED N#Cc1ccc(NN=C[C@@H]2C[C@@H]2c2ccccc2)cc1 755650656 DHCXGAQDPSWYPH-DOTOQJQBSA-N 261.328 3.760 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccccc1O 755597956 ANQQGQUBYBUFDB-WAYWQWQTSA-N 260.239 3.567 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\Cc1ncccc1F 751517812 NNBLCQCACCSREC-FMQZQXMHSA-N 299.132 3.852 30 20 CHED COc1cccc2c1C/C(=C\c1nc(Cl)cs1)C2=O 759083161 LZIZRVRKJYHXHI-SOFGYWHQSA-N 291.759 3.628 30 20 CHED CCc1ccc([C@@H](NCC(C)(C)C#N)c2cccnc2)cc1 926875196 WKLKWRVEPKGQSC-GOSISDBHSA-N 293.414 3.873 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1ccc(C)cc1O 850489381 STFWTBMPVBEDDU-SFHVURJKSA-N 294.398 3.856 30 20 CHED C[C@H]1CC/C(=C\C(=O)Nc2ccc(Cl)c(C#N)c2)C1 753577277 MGISLHUJIVIGHL-VUBLIPMDSA-N 274.751 3.897 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@H](C)n1nc(C)cc1C 851298475 DASDETZOCKSOHV-AWEZNQCLSA-N 278.396 3.597 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)ccc2F)C12CCC2 759667775 UZTQJHBNBPORJM-OAHLLOKOSA-N 276.355 3.881 30 20 CHED Cc1cccc(C)c1C=NNCCc1ccccc1F 755774835 LTAOSQGIXBFABL-UHFFFAOYSA-N 270.351 3.609 30 20 CHED CCCCCC[C@@H](C)NN=C(C)C[C@H]1CCOC1 751530397 XJCPHBWBWKYJCE-UKRRQHHQSA-N 254.418 3.737 30 20 CHED CC(=NN=C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cnccn1 853315632 VDBVKZJSGHGAKU-NWDGAFQWSA-N 298.312 3.640 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cc(C)cc(C)c1)OCC 756474615 XTKFZAJUUDTAFL-INIZCTEOSA-N 276.376 3.718 30 20 CHED C=CCCc1ccccc1NC(=O)C(F)(F)CC 854344341 REPNRJURDKUJKW-UHFFFAOYSA-N 253.292 3.789 30 20 CHED CC[C@H](C#N)OC(=O)CSc1ccc(C(C)(C)C)cc1 753422417 NNUQUYLFNGHWMO-CYBMUJFWSA-N 291.416 3.922 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2(C3CC3)CC2)c1O 751522763 JDDKRRBNAVTVCS-FRKPEAEDSA-N 294.738 3.563 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)OC1CCCCCC1 851209925 QRVLYVFLBWOMTQ-UONOGXRCSA-N 295.423 3.986 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCc3ccccc32)CCCCC1 855740435 MLGPMBVPQYNGLR-QGZVFWFLSA-N 281.399 3.764 30 20 CHED Clc1nccnc1NN=C1CCC(=C2CCC2)CC1 853307794 UEBRHWILDKWJMQ-UHFFFAOYSA-N 276.771 3.952 30 20 CHED C=CCN(C(=O)c1cc(F)cc(Cl)c1)C(C)C 756930226 LWINQYISVGCAJY-UHFFFAOYSA-N 255.720 3.516 30 20 CHED Cc1ccc(F)c(C=NNCc2cccc(Cl)c2)c1 756826578 BIJAFZZXDWZFIO-UHFFFAOYSA-N 276.742 3.911 30 20 CHED COc1ccccc1C=NNc1ccc(F)cc1C 750944974 CJIMKIVTWBAIRS-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CCc1c(C(C)=NNCC(F)(F)F)oc2ccccc12 769822862 YCPQBHWSJQLJRF-UHFFFAOYSA-N 284.281 3.871 30 20 CHED C#CCOc1ccccc1CN(Cc1cccs1)C1CC1 768252022 GVIRBPALIOKLKF-UHFFFAOYSA-N 297.423 3.925 30 20 CHED CCc1ccc([C@@H](C)C(=O)Oc2ccc(C#N)cc2F)cc1 769740490 UIHXAAXSQOEOLC-GFCCVEGCSA-N 297.329 3.969 30 20 CHED C#C[C@H](CC)OC(=O)c1sc(-c2ccc(C)o2)nc1C 768064004 VPTDGWMJDILSSG-LLVKDONJSA-N 289.356 3.589 30 20 CHED Cc1c(C(=O)Oc2ccc(C#N)cc2F)oc2ccccc12 769738128 LMVSYJYEJYEIOW-UHFFFAOYSA-N 295.269 3.971 30 20 CHED C#Cc1cccc(NC(=O)N2CCC(CC(C)C)CC2)c1 761617547 JMTJTFQJVSBURQ-UHFFFAOYSA-N 284.403 3.958 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1ncc(F)cn1 760265835 NOUFKSGXVSTPME-UHFFFAOYSA-N 286.354 3.771 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(C(C)C)n2)c1 762189412 CRDDRHRHWNVPCF-UHFFFAOYSA-N 292.382 3.853 30 20 CHED CCC(=NNCc1ccc(Cl)cc1)C1CCOCC1 764719499 YAJYDEQWQFSPNR-UHFFFAOYSA-N 280.799 3.622 30 20 CHED Cc1ccc(CNc2ccc(F)c(C#N)c2)cc1C 51636004 GNTSAKAYIPGFGC-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1nccs1 769826913 JXQNIKBXGSCIHH-UHFFFAOYSA-N 269.732 3.772 30 20 CHED CCCOc1ccc(NC[C@@H](C#N)CCC#N)cc1C 863390085 UUJXVJIQCDYBGI-CQSZACIVSA-N 271.364 3.639 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc(C#N)s2)c1 762447619 QSXRHDSQGMHZGE-UTCJRWHESA-N 271.316 3.963 30 20 CHED Cc1cc(/C=C2/Oc3ccc(F)cc3C2=O)cnc1Cl 760266003 RGKFGMBLAQFVGC-WLRTZDKTSA-N 289.693 3.799 30 20 CHED CC(C)N(CCC#N)Cc1ccc(OC(F)F)cc1F 876611179 TXWQKDHGCLDXBK-UHFFFAOYSA-N 286.297 3.551 30 20 CHED CCCOc1ccc(N=Cc2c(O)cccc2OC)cc1 768268178 DVCHBVOCDRCSDF-UHFFFAOYSA-N 285.343 3.940 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)c2ccncc2CC)c1 774024248 BZUCMAJLKYSMCX-ZDUSSCGKSA-N 293.370 3.508 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)c2csc(C#N)c2)C1 1117852839 NJDCJVDAPXUAKM-SRVKXCTJSA-N 276.405 3.564 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1sccc1O 773151156 UWHYNBKSRUDPEB-UPHRSURJSA-N 266.268 3.628 30 20 CHED C=CCCN(OCc1ccccc1)[C@@H](C)c1ncccn1 1119761001 JLKWKIXHCSIZCR-HNNXBMFYSA-N 283.375 3.548 30 20 CHED C=C(C)CN(C)C(=O)/C=C\c1ccccc1O[C@@H](C)CC 778123681 XIDATIKGZXGZDB-SSCKCOOKSA-N 287.403 3.912 30 20 CHED C(=NOC1CCCC1)c1ccc(OC[C@H]2CCCO2)cc1 774608053 KPLWNRAQKWKEAL-QGZVFWFLSA-N 289.375 3.538 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cc(C)c1O 776728864 OJRSKVBUMXOXPY-UTCJRWHESA-N 295.313 3.916 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2ccc(Cl)cc2)o1 1116615539 DTFLLATUMFVXCC-AWEZNQCLSA-N 291.778 3.891 30 20 CHED N#CCc1ccc(COC(=O)/C=C/c2ccccc2)cc1 776115118 WSKDEZIXAVCRTC-ZHACJKMWSA-N 277.323 3.509 30 20 CHED Cc1cccc(OCCC(=O)OCCC(C)(C)C#N)c1C 776373526 QRBFAQAHBSNNKB-UHFFFAOYSA-N 289.375 3.555 30 20 CHED C#CCCCCCC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 779850557 LKVVOZVZJRHIJJ-JYJNAYRXSA-N 261.409 3.513 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCCCC1 1127957766 OVJAOGOLJMOYGX-KSSFIOAISA-N 288.435 3.936 30 20 CHED Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1CCCC2(CC2)C1 888689716 LXIMETMFRLCOKH-MRXNPFEDSA-N 296.414 3.557 30 20 CHED C[C@H](NCC12CCC(CC1)C2)c1ccc(OCC#N)cc1 776170047 HOZSYCFOJHOYPK-SYJJWHGVSA-N 284.403 3.820 30 20 CHED N#CC1(COC(=O)c2sccc2-c2ccccc2)CC1 775825489 ILZQJPJMHFNXCD-UHFFFAOYSA-N 283.352 3.876 30 20 CHED C[C@H](CC#N)OC(=O)c1cccc(Nc2ccccc2)c1 1122406755 QPJURGWNZXQJOO-CYBMUJFWSA-N 280.327 3.889 30 20 CHED CC(=NNC1CCCCC1)c1ccc(F)cc1F 786042224 NFZFNDUVIVYPFD-UHFFFAOYSA-N 252.308 3.611 30 20 CHED CC1(C)C(=NOCC(F)F)C[C@H]1Oc1ccccc1 789051600 VIKGAKBLRLTPHL-GFCCVEGCSA-N 269.291 3.502 30 20 CHED C=C1CCC(C(=O)Nc2cc(F)cc(F)c2OC)CC1 889516221 PBYAESVMYYPXSC-UHFFFAOYSA-N 281.302 3.658 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc(F)ccc1F 785767001 FBEUTHJIEGMXDM-CQSZACIVSA-N 254.276 3.610 30 20 CHED C=C1CCC(C(=O)Nc2nccnc2-c2ccccc2)CC1 890920703 UWGMWOUXCRMZKE-UHFFFAOYSA-N 293.370 3.829 30 20 CHED CCC(CC)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 891450574 MTMNKONCFOVOMH-UHFFFAOYSA-N 299.418 3.636 30 20 CHED N#Cc1cccc(CNC2(C3CCCCC3)CC2)c1F 1460913273 GUJABFSJFSEAQA-UHFFFAOYSA-N 272.367 3.900 30 20 CHED CC(C)(C#N)CC(=O)OCCCSCc1ccccc1 785107818 PPWLEBDLMXGAPE-UHFFFAOYSA-N 291.416 3.793 30 20 CHED C=C1CC(c2noc(C3(c4ccccc4)CCOCC3)n2)C1 896883853 MCTIUUWLZRCXKU-UHFFFAOYSA-N 296.370 3.600 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(-c2cnco2)c1 898156809 XXRMHWZIZRNQPR-QGZVFWFLSA-N 284.359 3.560 30 20 CHED CO[C@@H](C(C)=NNc1ccccc1C(=O)O)c1ccccc1 782177022 LPKRBBBERGQLHF-INIZCTEOSA-N 298.342 3.560 30 20 CHED CC(=NNc1cccc(Br)c1)[C@@]1(C)CCCO1 782186184 KRNNJAQOGFKAGA-CYBMUJFWSA-N 297.196 3.806 30 20 CHED C=CCNc1ccc(OC)cc1OCc1ccccc1 783960289 KOANVWJRQHUHAZ-UHFFFAOYSA-N 269.344 3.872 30 20 CHED Cc1cc(F)ccc1Cn1ccc(-c2ccc(C#N)cc2)n1 784054179 TVJCUAIYVZIRKX-UHFFFAOYSA-N 291.329 3.918 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1ccc(O)cc1 782300740 HUEZRPBQYXLZTH-WAPJZHGLSA-N 275.307 3.837 30 20 CHED C#CCC1(C(=O)N[C@H]2CCCC[C@@H]2C)CCCCC1 788141860 XBYIQOPQQULKJM-GJZGRUSLSA-N 261.409 3.655 30 20 CHED C#CCCCCNC(=O)c1coc2ccc(CC)cc12 797155060 OFURPZKANNRXQJ-UHFFFAOYSA-N 269.344 3.529 30 20 CHED CC1(CNN=Cc2ccc(O)c(Cl)c2)CCCC1 793084405 OCBKEHYAYQQKBP-UHFFFAOYSA-N 266.772 3.549 30 20 CHED COc1ccccc1CON=Cc1cc(C)ccc1C 799119011 FHJHCLREYWCLKS-UHFFFAOYSA-N 269.344 3.863 30 20 CHED CCN(C[C@H](C)C#N)C(=O)Cc1ccc(Cl)cc1Cl 60020020 LZCZBJXJCNOLGN-SNVBAGLBSA-N 299.201 3.544 30 20 CHED N#CC1(C(=O)Nc2cc(F)c(F)cc2F)CCCCC1 61094450 XMVALFMAGVUARZ-UHFFFAOYSA-N 282.265 3.516 30 20 CHED CCO[C@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 721157339 FLENSPWPGSKEFN-HOTGVXAUSA-N 258.365 3.512 30 20 CHED N#CC1(C(=O)N2CCC3(CCCCC3)CC2)CCCC1 61559076 OEZDUYZLELQNAS-UHFFFAOYSA-N 274.408 3.643 30 20 CHED COc1cc(C=NNc2ccc(Cl)cc2)ccc1C#N 799464143 RZPYNDGPLXHGFY-UHFFFAOYSA-N 285.734 3.666 30 20 CHED Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1Cl 63021708 LGASZLZQZGMRAY-UHFFFAOYSA-N 284.746 3.797 30 20 CHED N#Cc1ccc(CN[C@H](C2CCCC2)C2CC2)cc1 723961081 SJHLRBUPOMYTSH-QGZVFWFLSA-N 254.377 3.617 30 20 CHED Cc1ncsc1C=NN1CCC(C(C)(C)C)CC1 790178719 JMCFXTNDPOHZRC-UHFFFAOYSA-N 265.426 3.544 30 20 CHED C=CCCCCC[C@H](C)NCc1c(C)noc1C 793519092 AXBCXDPVWLFKDX-LBPRGKRZSA-N 250.386 3.906 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)o1 796142996 UYFUXNBXDAGQIA-UHFFFAOYSA-N 296.109 3.815 30 20 CHED C=CCC1(NCc2cc(COC)cs2)CCCC1 657702105 GUQIKENZNJKZLI-UHFFFAOYSA-N 265.422 3.873 30 20 CHED CCOC1CC(CON=Cc2ccc(Cl)cc2)C1 795199809 OTRZKIZTTCPMSE-UHFFFAOYSA-N 267.756 3.506 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1COc1ccccc1 1142002636 SEQBOWWWIZIMFE-CQSZACIVSA-N 294.354 3.754 30 20 CHED COc1ccc(Nc2c(C#N)cccc2C#N)cc1SC 1215935240 IPJXOUSWXIKFSI-UHFFFAOYSA-N 295.367 3.904 30 20 CHED CCCCCCCCCCC(=O)N1C[C@H](CC)[C@@H](O)C1 760983206 JOLUAWQUMBJXRK-HOTGVXAUSA-N 283.456 3.747 30 20 CHED Cc1ccc([C@@H](C)NC(=O)CC#Cc2ccccc2)s1 1319211347 LGQVWOFDJULAHH-CQSZACIVSA-N 283.396 3.676 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CCC[C@H](C2CC2)C1 1664234785 ZEJNBGJYAHQJIE-GJZGRUSLSA-N 270.376 3.948 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(N2CCCCC2)cc1 1325620350 VUDKZIOWOYJIDB-RDJZCZTQSA-N 288.435 3.529 30 20 CHED C=CCCO[C@H](C)C(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1324478316 JZFSVNFHADREGS-YVSFHVDLSA-N 295.467 3.792 30 20 CHED Cc1cccc2sc(NN=C[C@@H](C#N)C(C)C)nc12 1329671871 IHTWMUHNMBOQNG-LLVKDONJSA-N 272.377 3.798 30 20 CHED Cc1coc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1C 1321845362 QPBPGOQTNUXTON-ZDUSSCGKSA-N 288.734 3.545 30 20 CHED C=C(C)CCC(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 1337349875 XKGMTUBQGFICPL-INIZCTEOSA-N 273.376 3.741 30 20 CHED CCCCCCCCCC(=O)NCc1cc(C)cnc1O 1336701761 AYMQICGEUQOOKC-UHFFFAOYSA-N 292.423 3.853 30 20 CHED C[C@]1(CCOC(=O)c2ccc(C#N)cc2F)C[C@@]1(F)Cl 1343754238 HXIUXLMUTQIOTO-KBPBESRZSA-N 299.704 3.559 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2cccc(Cl)c2)c1 1264098964 GFGOHDSVCWANSR-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C#CC[C@@H](C)OC(=O)c1coc(-c2ccccc2Cl)n1 1342574862 LVUSYRSASIHNBU-SNVBAGLBSA-N 289.718 3.564 30 20 CHED C[C@H]1CC/C(=C/c2nnc(COc3ccccc3C#N)o2)C1 1349921571 FTBCJPSPNOLJKG-VWLVURMCSA-N 295.342 3.724 30 20 CHED C=CCCC(=O)COC(=O)c1ccccc1C(C)C 1346773039 VBZFHUZQHAFLLL-UHFFFAOYSA-N 260.333 3.502 30 20 CHED CCC1(CC)CCC(NC(=O)c2ccc(C#N)c(C)n2)CC1 1271102651 SKKSPYUQRWQPLQ-UHFFFAOYSA-N 299.418 3.741 30 20 CHED CCCCC[C@@H](C)CC(=O)OCc1ccc(C#N)cn1 1343738495 JBDAUFJEOIAPNB-CYBMUJFWSA-N 274.364 3.603 30 20 CHED C=C[C@H](C(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1)c1ccccc1 1352273914 WKCANZNQAUVEJD-BZSNNMDCSA-N 281.399 3.603 30 20 CHED CC[C@@H](F)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1514963434 CRZLRQDRPRNAHQ-OAHLLOKOSA-N 299.349 3.652 30 20 CHED C=C(Br)COc1ccc(F)c2cccnc12 1459157790 XBKJMUFCQMGLKM-UHFFFAOYSA-N 282.112 3.661 30 20 CHED CC(C)(C)N1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 110250098 GHLVJZDRKLXLKS-UHFFFAOYSA-N 291.826 3.886 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(c3cccc(C)c3)CC2)c1 1528801973 HPVBZGUDLRQLPE-UHFFFAOYSA-N 290.366 3.845 30 20 CHED Cc1cc(Sc2ncc(-c3ccccc3)[nH]2)ncc1C#N 1458092405 KPMAHCSMIGANMW-UHFFFAOYSA-N 292.367 3.803 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2cccc(CC#N)c2)c1 1466577820 WFPQHNFCEXOCNT-UHFFFAOYSA-N 293.370 3.725 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCc2cc(C#N)ccc21 1460830994 QABJTEBFWRWPDY-MRXNPFEDSA-N 284.403 3.910 30 20 CHED COc1cccc(CSc2cc(C)c(C#N)cn2)c1 1611872670 NMYCQKFQTVDSCB-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CC[C@@H](Cc1ccccc1)N(CC)Cc1cc(C#N)ccn1 1616275662 QKVPZPPNPVNYIX-IBGZPJMESA-N 293.414 3.796 30 20 CHED CC[C@@H](CC#N)Nc1cc(-c2ccccc2)nc2ccnn12 1612224188 JZSZAOWECHXLJG-AWEZNQCLSA-N 291.358 3.500 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H](C)Cc1cccs1 1543490985 PTZRYQFLUSEOHU-ZDUSSCGKSA-N 298.411 3.631 30 20 CHED C[C@@H](COc1ccccc1)Nc1nc(C#N)c(Cl)s1 1559089793 YQGATOVADRNJQK-VIFPVBQESA-N 293.779 3.548 30 20 CHED Cc1cc(N2CC3(CCC3)c3c(F)cccc32)ncc1C#N 1559089953 DUVXRAOLMSTJQP-UHFFFAOYSA-N 293.345 3.974 30 20 CHED Cc1cc(NC(=O)CNc2ccc(C#N)cc2)ccc1Cl 1557274713 HVVOPHXNFJOJGT-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1cc(Cl)ccc1O 156680191 ODVBFCVZSJHDBF-GQCTYLIASA-N 277.707 3.547 30 20 CHED N#Cc1cc2c(nc1OC/C(Cl)=C/Cl)CCCCC2 1653033651 MWCWWQQMRMIHTM-GHXNOFRVSA-N 297.185 3.920 30 20 CHED N#C[C@@H](c1ccccc1)N1CCc2c(F)ccc(F)c2C1 1657500302 NPEKOJRSJHKSMO-KRWDZBQOSA-N 284.309 3.588 30 20 CHED C=C(CCC(=O)O)C(=O)N(CCCC)[C@@H]1CCC[C@@H](C)C1 1588612846 YLOOFOOHJAEMOQ-UKRRQHHQSA-N 295.423 3.615 30 20 CHED Cc1cc2c(NC(=O)C[C@H](C)CC(C)C)n[nH]c2cc1C#N 1583608721 BSLRTVDUYPXWGD-LLVKDONJSA-N 298.390 3.754 30 20 CHED Cc1cccc(CN(CC(C)C)c2ccnc(C#N)c2)c1 1650683109 ASDDCLKUYQIBTJ-UHFFFAOYSA-N 279.387 3.924 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(C(=O)O)cc1OC 1588777681 FVDYWILAAZWKJU-GFCCVEGCSA-N 263.337 3.550 30 20 CHED Cc1ccnc(N[C@H]2CCC[C@@H]2C(C)(C)C)c1C#N 1651933516 YIVDVQCBZOADLH-KBPBESRZSA-N 257.381 3.888 30 20 CHED CC(C)(C)O[C@H]1C[C@@H](Nc2cccc(C#N)c2)C1(C)C 1658695134 FZAQFYSJYJJAQK-CABCVRRESA-N 272.392 3.952 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](NCc2cccc(C#N)c2)C1(C)C 1658961570 VRJISYMFTSCORZ-JKSUJKDBSA-N 286.419 3.630 30 20 CHED C=C[C@@H](N[C@@H](CCc1ccccc1)c1ccccc1)C(=O)O 1588692795 KAVLIRHDSNPHNO-MSOLQXFVSA-N 295.382 3.589 30 20 CHED C=CC[C@@H](C)NCCN(C(=O)OC(C)(C)C)C(C)(C)C 230976216 FRCDRTTVVVUITK-CYBMUJFWSA-N 284.444 3.576 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1sccc1C#N 1663159298 HVCZTIABOBURTE-CMPLNLGQSA-N 291.420 3.956 30 20 CHED CCCc1cccc(/C=C\C(=O)c2cc(C(=O)O)co2)c1 1596068873 OBQXBNDHUDCDEA-FPLPWBNLSA-N 284.311 3.826 30 20 CHED C[C@H](NC(=O)N[C@@]1(C)CCCC[C@H]1C)c1ccc(C#N)cc1 1676107764 DIAOOUMGKPWCCO-GLJUWKHASA-N 299.418 3.887 30 20 CHED C=C(Br)CNC1CCC(C(F)(F)F)CC1 123172995 KHHYKYJIWFKINR-UHFFFAOYSA-N 286.135 3.606 30 20 CHED C=C(CNC(=O)Nc1csc(C)c1)c1ccccc1 1673844626 VUBVYLGULSXDKM-UHFFFAOYSA-N 272.373 3.891 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNc1ccc(CC(=O)O)cc1 1776084342 IXLCJUZYRXIGPZ-LBPRGKRZSA-N 288.391 3.928 30 20 CHED O=C(/C=C/c1ccc(C(=O)O)s1)c1ccc(F)c(F)c1 1776125437 JCSKEDMARSOTOP-GORDUTHDSA-N 294.278 3.621 30 20 CHED Cc1ccc(C)c(C=NNc2ccc(F)c(C(=O)O)c2)c1 1776061881 SSEUIFNQKNSLMJ-UHFFFAOYSA-N 286.306 3.587 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccccc2)cc1C(=O)O 1776114500 RFMCEDKXOMHCIT-MDZDMXLPSA-N 266.296 3.589 30 20 CHED C=CCCN[C@H](C)c1sc(C(C)(C)C)nc1C 161717610 IMEXGMAPQHUVQM-SNVBAGLBSA-N 252.427 3.976 30 20 CHED C[C@H](N(C)C(=O)N[C@H](CCC#N)c1ccccc1)C1(C)CC1 160505193 FARSYSRSGKKWOK-GOEBONIOSA-N 299.418 3.861 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CC=CCC1)c1ccccc1 160704204 NEFTUXMJDVJGGI-HZPDHXFCSA-N 269.388 3.819 30 20 CHED N#Cc1ccc(NCCc2c[nH]c3ccccc23)cc1 168442843 LLXLONHLAIHXCS-UHFFFAOYSA-N 261.328 3.694 30 20 CHED C#CCCCCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 156033137 RQIKNXPYYOVOIO-OALUTQOASA-N 291.394 3.863 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)NC2(C#N)CCC2)cc1 157312028 TZANGXBIIMXIQY-AWEZNQCLSA-N 284.403 3.866 30 20 CHED C=C(C)CNC(=O)N(Cc1ccco1)Cc1cccs1 156389987 HYJPTHYRYISNBB-UHFFFAOYSA-N 290.388 3.629 30 20 CHED C=CCN(C)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 154782193 WPUTVEQWOMHUTG-HNNXBMFYSA-N 295.810 3.516 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCOc2ccc(F)cc21 925382621 LUZUKKCJRQGAIS-FZMZJTMJSA-N 276.355 3.567 30 20 CHED N#Cc1cccc(CNc2cc(Cl)ccc2[N+](=O)[O-])c1 36970523 OGQSPZBUMFYCPW-UHFFFAOYSA-N 287.706 3.732 30 20 CHED COC1(CNc2ccc(C#N)cc2C(F)(F)F)CCC1 161641055 JQKGEYZCZAQMTD-UHFFFAOYSA-N 284.281 3.558 30 20 CHED CC(C)c1ccc([C@H](C)NC(=O)C2(C#N)CCC2)cc1 265613853 PAUKSNPJMCLMCD-ZDUSSCGKSA-N 270.376 3.681 30 20 CHED C[C@H]1CCN(c2ccc(C#N)cc2Br)[C@@H]1C 301883716 XZNNGZMPAPJJRE-VHSXEESVSA-N 279.181 3.555 30 20 CHED C=CCCCSc1nnc(NCC(C)C)s1 309421825 ZUIVXRQDBFKELK-UHFFFAOYSA-N 257.428 3.664 30 20 CHED C=CCC(C)(C)CNCc1ccc(C(C)(C)O)cc1 311688954 KAOPGPRXGVSIGG-UHFFFAOYSA-N 261.409 3.606 30 20 CHED N#Cc1ccc(Cl)cc1N1CCc2ccccc2CC1 79573110 QUPSYLVWGHBLFV-UHFFFAOYSA-N 282.774 3.817 30 20 CHED C=CC(C)(C)CN[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 449487113 WUVOCJNJRVYJNJ-SJLPKXTDSA-N 286.463 3.841 30 20 CHED N#Cc1cc[nH]c(=NC[C@@H]2CCCCC(F)(F)C2)c1Cl 488448124 LPKMHHRYPJEYLB-SNVBAGLBSA-N 299.752 3.656 30 20 CHED C#CCN(Cc1ccccc1)C(=S)Nc1ccsc1 491164726 FBNHUURXVHXOCA-UHFFFAOYSA-N 286.425 3.580 30 20 CHED Cc1ccsc1CN(C)c1ccc(F)cc1C#N 383937871 KXMRVUSQRJHURU-UHFFFAOYSA-N 260.337 3.704 30 20 CHED c1ccc(CNN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 916344419 VYRCCVPUQZUACX-WCVJEAGWSA-N 254.377 3.588 30 20 CHED Cc1cc(C)c(CN2CCC[C@@H](CC#N)C2)c(C)c1 397860113 UZFXJXCDIXRTSN-INIZCTEOSA-N 256.393 3.738 30 20 CHED CCn1c2ccccc2c2cc(C=NOC)ccc21 767490702 JEQHOCLLWCPVHH-UHFFFAOYSA-N 252.317 3.795 30 20 CHED CN(CCCC#N)c1ccc(NC(=O)OC(C)(C)C)cc1 860000167 GEJVBSXGWMDCMG-UHFFFAOYSA-N 289.379 3.774 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2F)cc1OC 7741059 ZFMIOXNFTXCYEV-VQHVLOKHSA-N 286.302 3.739 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Oc2ccncc2)cc1 50255035 JQOGQMDMSSSDKT-UHFFFAOYSA-N 299.399 3.736 30 20 CHED C=CCN(Cc1csc(C(C)(C)C)n1)C(C)C 917069812 WILLDQBOXDBCBI-UHFFFAOYSA-N 252.427 3.837 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 103026829 XCQPLWRKVKRYTP-CLTKARDFSA-N 286.714 3.965 30 20 CHED CCN(CCc1ccccc1)Cc1cc(C#N)ccc1F 51923728 SOUWJMUORUTAFN-UHFFFAOYSA-N 282.362 3.762 30 20 CHED N#Cc1ccc(CN(C2CCCC2)C2CC2)c(F)c1 64809184 SXWMWJFSCZJCIH-UHFFFAOYSA-N 258.340 3.604 30 20 CHED COc1ccc(C(=O)/C=C/c2cccs2)cc1F 57645200 RGVHFHNDJFTSIH-AATRIKPKSA-N 262.305 3.792 30 20 CHED C=CCCC(=O)Nc1nc(-c2ccccc2)cs1 102210655 HGMCCHJREXLWDV-UHFFFAOYSA-N 258.346 3.715 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H](c1ccccc1)C(C)C 116858735 NWRQJNOVAQUREU-GOEBONIOSA-N 259.393 3.897 30 20 CHED C=C(C)CN(CC)C(=O)c1c[nH]c2cc(Cl)ccc12 64336633 SDYSYGSNKDBEKA-UHFFFAOYSA-N 276.767 3.860 30 20 CHED C=CCCCOC(=O)c1cccc(F)c1Br 814507724 VREBOOQZNXBDJC-UHFFFAOYSA-N 287.128 3.711 30 20 CHED N#Cc1nc(N[C@@H]2CCCOc3ccccc32)ccc1Cl 67370901 AYOCWZOHVBEPLN-CYBMUJFWSA-N 299.761 3.932 30 20 CHED COc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)cc1 20126495 BGGDTEPGCNKNRH-ZDUSSCGKSA-N 282.343 3.771 30 20 CHED N#Cc1ccc(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cn1 301562608 PADWITJDNMFNJZ-FZMZJTMJSA-N 287.725 3.714 30 20 CHED C#CCCCNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 174104155 PFVHSFYMBRLTKB-JTQLQIEISA-N 299.201 3.767 30 20 CHED C=CCC[C@H](NCc1ccccc1COC)C1CC1 119983379 KPLBTSHCKNWNCB-KRWDZBQOSA-N 259.393 3.667 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1c1cccc(F)c1C#N 302198812 QIUASAGOZYAJSM-NSHDSACASA-N 284.309 3.960 30 20 CHED CCCCCCCC(=O)N1CCSc2ccncc21 175717976 ANHLMIOIQNTXSD-UHFFFAOYSA-N 278.421 3.881 30 20 CHED CCOc1ccc2c(c1)CN(Cc1cccc(C#N)c1)CC2 64013686 IQLHBEYQNZEIRU-UHFFFAOYSA-N 292.382 3.515 30 20 CHED CCCCN(C(=O)c1c[nH]c(C#N)c1)[C@H](C)c1ccccc1 181261732 YVMQBJYGGJSGAY-CQSZACIVSA-N 295.386 3.890 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N[C@@H]3CCCOCC3)c2c1 183003724 WMDRVLUSIIUIFP-OAHLLOKOSA-N 295.386 3.704 30 20 CHED C[C@H]1CC[C@H](Nc2ccc3cc(C#N)ccc3n2)C1 302571337 ZEOXMEKNJRXJMR-FZMZJTMJSA-N 251.333 3.707 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](CC)C1)c1ccccc1 125104688 WRPKCKDONKHQPW-HUUCEWRRSA-N 257.377 3.605 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCCF)cc1 127012247 WUAYKYZHXPOQIH-LBPRGKRZSA-N 271.763 3.828 30 20 CHED CC[C@H]1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)C1 301543007 CUYTVZFFEFYFCV-LBPRGKRZSA-N 283.350 3.790 30 20 CHED COc1ccc(C#N)cc1NCc1cc(Cl)cs1 426146381 UZPCZVROZIWYIB-UHFFFAOYSA-N 278.764 3.894 30 20 CHED CC(C)[C@@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 122420802 QIPHPKWKEOGJFL-CVEARBPZSA-N 286.419 3.871 30 20 CHED C[C@@H](CCC(=O)Nc1cc(C#N)ccc1O)c1ccccc1 124004383 VEBWAQJDKUHBHS-ZDUSSCGKSA-N 294.354 3.786 30 20 CHED N#Cc1cn(CC2CCCCCC2)c2ccccc2c1=O 183878862 WCOCMJPHOSXDBI-UHFFFAOYSA-N 280.371 3.844 30 20 CHED Cc1ccc2c(c1)[C@H](NCC1(C#N)CCC1)[C@@H](C)C2 418141096 KNPZZBJIUCNIIV-XJKSGUPXSA-N 254.377 3.512 30 20 CHED C=C(C)CN(C)C(=O)CCSc1ccc(Cl)cc1 180391093 XMUWRHJTFOYLAT-UHFFFAOYSA-N 283.824 3.857 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Cc1ccc(C)cc1 180354986 UZKWBSSGBRBGQM-HNNXBMFYSA-N 259.393 3.598 30 20 CHED CCC[C@H](CC(C)C)C(=O)N[C@@](C)(C#N)CCSC 410856011 XLMSIKIJIPYREV-UKRRQHHQSA-N 284.469 3.600 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H](C)C[C@H]2CC)c1 72940103 CEDIRYXDMITHPO-UKRRQHHQSA-N 288.391 3.904 30 20 CHED COc1ccc(C)cc1[C@@H](C)Nc1ncc(C#N)cc1F 413036275 PTDLVKMBLKMSNI-LLVKDONJSA-N 285.322 3.583 30 20 CHED C#CCCCCC(=O)Nc1cccc(-c2nc(C)co2)c1 120000648 YXDAQBDBZFCVQU-UHFFFAOYSA-N 282.343 3.782 30 20 CHED C=CCn1c(S[C@@H](C#N)CC)nc2ccccc21 127034226 QPBQLKASEUWEQX-LLVKDONJSA-N 257.362 3.617 30 20 CHED CCC[C@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1 183365770 SEXPUKILNLRBLM-INIZCTEOSA-N 285.391 3.939 30 20 CHED N#CC1(COc2ccc(C(F)(F)F)cc2)CCC1 450614341 OKCFVJZKMRHEJJ-UHFFFAOYSA-N 255.239 3.778 30 20 CHED C[C@H](CCC#N)N1CCC[C@@H](Oc2ccccc2Cl)C1 411402143 PAAMGASOVWGTPT-ZIAGYGMSSA-N 292.810 3.875 30 20 CHED N#CCN(C(=O)c1cc2c(s1)CCCC2)c1ccccc1 78382527 AXHGGFYDGWRRNK-UHFFFAOYSA-N 296.395 3.797 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)c(F)c1 188278500 ZNNDCEOATLBHIL-AWEZNQCLSA-N 285.746 3.646 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC)C(C)C 413826872 QUKZICXIRUAPIV-INIZCTEOSA-N 274.408 3.614 30 20 CHED CC(C)CCc1nc(C[S@@](=O)CCCCC#N)cs1 78715989 UDNPCCMIMUGQRZ-LJQANCHMSA-N 298.477 3.674 30 20 CHED Cc1cccc2c(CC(=O)Nc3sccc3C#N)c[nH]c12 123847927 PIXLLJLQSKIIFT-UHFFFAOYSA-N 295.367 3.591 30 20 CHED C#C[C@@H](CCC)NC(=O)c1c(Cl)cc(F)cc1Cl 491724375 BGDQYFUQURCISM-VIFPVBQESA-N 288.149 3.664 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1ccc([N+](=O)[O-])cc1 36138503 YOLFCCUSEIJVMV-JTQLQIEISA-N 285.278 3.779 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(F)c(Cl)c1 218642284 MZJVCFYUZWGILI-LLVKDONJSA-N 299.773 3.671 30 20 CHED C=CCCCN1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 76182520 GHIMDZAVDMIIRJ-DTORHVGOSA-N 275.236 3.625 30 20 CHED C[C@H](Cc1cccc(F)c1)Nc1cccc(OCC#N)c1 133736984 YNOQXUOBWQPUEF-CYBMUJFWSA-N 284.334 3.771 30 20 CHED CCO[C@@H](CCN[C@@H](C)c1cccc(C#N)c1)C(C)C 181846384 DIUKSULDHANVJY-YOEHRIQHSA-N 274.408 3.660 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)C1CCN(C(=O)OCC)CC1 187698767 NQCOFJHFLSHMSQ-HOCLYGCPSA-N 296.455 3.578 30 20 CHED C=C(C)CCN1CCN(CCC(=C)C)[C@@H]([C@@H](C)CC)C1 509034018 SHHGZGUGCSLZRY-ZWKOTPCHSA-N 278.484 3.951 30 20 CHED CC[C@@H](C)C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 185096605 DHUCKVGBTXWYCN-ZZFFKQLHSA-N 288.435 3.744 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C)CC=C)c1ccccc1 189651749 GAGVCWNKKOCKSO-GDBMZVCRSA-N 257.377 3.817 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1cccc(F)c1 135666234 ZPDWECAVTOFOOA-SNVBAGLBSA-N 260.337 3.610 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)C(C)C 413822888 LTHCJYSQNNTUBU-NVXWUHKLSA-N 288.435 3.860 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccc(F)cc1Br 411629026 ZPEGWIFWWLTIPN-SNVBAGLBSA-N 299.187 3.712 30 20 CHED N#CCCSCCOc1ccc(OC(F)(F)F)cc1 413009687 DMOBVSCNSBFNAN-UHFFFAOYSA-N 291.294 3.611 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccco1 413814179 FJNWOEIQIZVKLL-INIZCTEOSA-N 298.386 3.608 30 20 CHED CC[C@H]1CCCCN1C(=O)Nc1cc(C)cc(C#N)c1 455998907 KHPQXQWZENQXEE-HNNXBMFYSA-N 271.364 3.663 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1cc(C#N)cs1 507988703 HHBZSURUPAXETO-UHFFFAOYSA-N 284.384 3.593 30 20 CHED COCc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1 193410668 RAEXQYNHUPYOHK-AWEZNQCLSA-N 296.370 3.908 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1c[nH]c2ccccc12 221726132 YXPWTZKNZHIZHV-HJWRWDBZSA-N 263.296 3.770 30 20 CHED C=C(C)CNC1CCN(Cc2c(F)cccc2Cl)CC1 130760119 CSZLOONSMRRQKL-UHFFFAOYSA-N 296.817 3.609 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)CSc1ccc(C#N)cc1 80685793 VIXOOIKOLFFHQS-CHWSQXEVSA-N 290.432 3.591 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2nnc(C)o2)c1 135077403 ZUUQLCXOGDFANG-MRXNPFEDSA-N 285.347 3.586 30 20 CHED Cc1nc(CCN[C@H](C)c2ccc(C#N)cc2)sc1C 130505766 QMBGBRDVXBTRRW-GFCCVEGCSA-N 285.416 3.525 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@H](N)c2ccccc21 423174710 CNQNDYIFAAJZHM-LSTHTHJFSA-N 292.426 3.908 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OCC)cc1C 193763607 ZJHJLERBNNHARK-UHFFFAOYSA-N 274.364 3.600 30 20 CHED CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 227576349 HQLVUGGAKXMMPT-YQQAZPJKSA-N 284.403 3.578 30 20 CHED CN(CCC(C)(C)C#N)Cc1cccc(Br)c1 87595233 VVIBTBOMWKCJKF-UHFFFAOYSA-N 295.224 3.821 30 20 CHED C[C@@H]1C[C@@H]1c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 336558395 ZQYHICCVSFYCBP-RNCFNFMXSA-N 285.322 3.530 30 20 CHED CC(C)CC(CC(C)C)N/C(O)=N/[C@@H]1CCO[C@@H](C)C1 330606022 NEGXNXDKEJYZFA-UONOGXRCSA-N 284.444 3.518 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1c(C)cccc1C 336327979 UEKWDXWFGCDDFK-CQSZACIVSA-N 258.365 3.876 30 20 CHED Cc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccn1 334529930 DZLXETQODHEDAT-IBGZPJMESA-N 291.398 3.819 30 20 CHED N#Cc1nc(N2CCCC3(CCC3)C2)ccc1C(F)(F)F 336922246 IDFDTQOFXBHMRT-UHFFFAOYSA-N 295.308 3.743 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)NCC(C)(C)CCC#N 513149346 NAJLCOGWVKUDDD-LSDHHAIUSA-N 293.455 3.927 30 20 CHED C[C@H]1CN(CCCCC(C)(C)C#N)Cc2ccccc2O1 429180062 XGMNHCJTRHUNLL-HNNXBMFYSA-N 286.419 3.990 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)CCc1ccc(OC)cc1 424620786 VYZLHQWWNWUTAI-CQSZACIVSA-N 289.419 3.735 30 20 CHED COc1ccsc1CN(C)[C@H](C)c1cccc(C#N)c1 425369227 ZLFISWVBQDBMAT-GFCCVEGCSA-N 286.400 3.821 30 20 CHED CCCc1[nH]ccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 516043625 CGAJXNWIYOZTKO-KRWDZBQOSA-N 287.407 3.560 30 20 CHED Cc1c(NC(=O)CCC(C)(C)C)ccc(C#N)c1C#N 421552324 BQZWTLUCMCXHAS-UHFFFAOYSA-N 269.348 3.503 30 20 CHED N#Cc1ccc(NCC2CCC(F)(F)CC2)c([N+](=O)[O-])c1 336941015 YBNHHZAAIKKNOS-UHFFFAOYSA-N 295.289 3.704 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)NCC#Cc1cccc(F)c1 513125680 IRTNEHVBPPBUPA-RDJZCZTQSA-N 287.378 3.510 30 20 CHED CC[C@@](C)(NCCCC(C)(C)C#N)C(F)(F)F 533066666 CTCLMGWQFCKTBS-LLVKDONJSA-N 250.308 3.637 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC[C@@H](F)C2)cc1 335112822 KPYKCPKTSOHZNV-GXTWGEPZSA-N 288.366 3.955 30 20 CHED Cc1ccc(-c2cnc(NC(=O)[C@H](C)C#N)s2)c(C)c1 334308761 IVDKMYHHTVUXFJ-LLVKDONJSA-N 285.372 3.525 30 20 CHED CCc1cccc(NC(=O)[C@@](C)(C#N)CC)c1CC 519566263 VNPMNVUYCWVZGQ-MRXNPFEDSA-N 258.365 3.690 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 92892178 KRZAQBZFWVDSRO-IUODEOHRSA-N 292.810 3.717 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)ccc1SC 141686940 QTCOBJUGRYQDOL-UHFFFAOYSA-N 285.796 3.593 30 20 CHED N#Cc1ccc(COc2ccc3cncnc3c2)c(Cl)c1 438916569 GNPJHMMPXDMEER-UHFFFAOYSA-N 295.729 3.734 30 20 CHED Cc1nc2ccc(NC(=O)c3cccc(C#N)c3C)cc2o1 337789622 AEBVIZZSEPGNNQ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CC(=O)c1sccc1OCc1ccc(C#N)c(C)c1 432491555 HBUGQCNNYQDBPY-UHFFFAOYSA-N 271.341 3.710 30 20 CHED Cc1cc(CN(C)c2ccc([N+](=O)[O-])c(C#N)c2)ccc1F 436424479 FCCZBJSCPOREPQ-UHFFFAOYSA-N 299.305 3.550 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1ccnc2cc(F)ccc12 435591824 HRYBGJWKVPKFMY-SJCJKPOMSA-N 286.350 3.767 30 20 CHED Cc1ccncc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 347379875 QZCCTWLIGHAKAQ-UHFFFAOYSA-N 299.418 3.619 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc2[nH]ccc12 620861790 ZUEMBEUOQMVIOC-UHFFFAOYSA-N 256.349 3.643 30 20 CHED C[C@H](CCC#N)CNCCCOc1cccc2cccnc12 602538670 XGXDCCNSSUYGLQ-OAHLLOKOSA-N 297.402 3.533 30 20 CHED Cc1nn(CCCOc2ccc(C(C)(C)C)cc2)cc1C#N 439197746 ISFDMOWASANEPE-UHFFFAOYSA-N 297.402 3.830 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 341715801 WQFPVOHRSLFJBG-WBMJQRKESA-N 256.393 3.960 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2nccs2)C1 249289000 QHXLMGOATICDMG-XJKSGUPXSA-N 297.427 3.955 30 20 CHED C=CCCN(C)C(=O)c1ccccc1-c1nc(C(C)C)no1 344290767 ZWHADYHWVYQOKL-UHFFFAOYSA-N 299.374 3.508 30 20 CHED C[C@H](CCC#N)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 602582998 SZLXJGHFQRAALV-SOLBZPMBSA-N 286.419 3.684 30 20 CHED CC[C@H](NCC(C)(C)CCC#N)c1ccc(F)cn1 348208055 RMMDEAHTRRBVOZ-ZDUSSCGKSA-N 263.360 3.591 30 20 CHED C=CCCN(C)C(=O)c1ccc(Cl)c2cccnc12 344290621 ZHPRRZCXRDILNI-UHFFFAOYSA-N 274.751 3.536 30 20 CHED CC(C)CCC1CCN(c2ccnc(C#N)c2)CC1 520826941 CIKNUCORLXOKGE-UHFFFAOYSA-N 257.381 3.606 30 20 CHED CCC(CC)[C@H](CCNCc1ccc(C#N)cc1F)OC 344854540 NDBVRXCZSFZBKR-KRWDZBQOSA-N 292.398 3.628 30 20 CHED C[C@H](CC(=O)N(CCC#N)Cc1ccco1)CC(C)(C)C 604455895 BMWBCFBDJJLDIN-CQSZACIVSA-N 290.407 3.984 30 20 CHED CCc1ccccc1CCSc1nnc(C)c(C)c1C#N 436188351 NIEDVKHYGOSGBU-UHFFFAOYSA-N 297.427 3.862 30 20 CHED COC(=O)c1ccc(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)o1 255293443 YHUSRYCMOIEZHY-LUHPIMIVSA-N 296.322 3.758 30 20 CHED C[C@H](c1ccccc1)N(Cc1cccc(C#N)n1)C1CC1 602442339 WKUHFLDCNJIGOK-CQSZACIVSA-N 277.371 3.679 30 20 CHED COC1CCC(CCNc2nccc(C#N)c2Cl)CC1 342832954 WIKXCMZTQGHSGB-UHFFFAOYSA-N 293.798 3.614 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1OC 255226176 SOKPUIMCHDELFS-SREVYHEPSA-N 299.351 3.533 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](CC)CCC 606922908 MDPVCSNSDVMHNU-CQSZACIVSA-N 254.418 3.953 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)c(Cl)cc1OC 604903843 LDPVDMACZYLRJS-JTQLQIEISA-N 282.771 3.743 30 20 CHED COC[C@@H](NC[C@H](C)CCC#N)c1cccc(Cl)c1 602667997 ACOHMEGUKBBUEO-IUODEOHRSA-N 280.799 3.557 30 20 CHED CN(Cc1cccc(C#N)n1)[C@@H]1CCC[C@@H]1c1ccccc1 602692174 VLPDAYHWKLTLBH-RTBURBONSA-N 291.398 3.721 30 20 CHED CC#CCCNc1ncnc2sc3ccccc3c12 440683965 ZLVQZHCNADSOPJ-UHFFFAOYSA-N 267.357 3.670 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccc(F)cc1)C1CC1 602422977 ASOIPJLBQMSVKB-ZDUSSCGKSA-N 260.356 3.730 30 20 CHED N#CCC[C@@H](NC(=O)/C=C\c1ccccc1)c1ccccc1 255673907 BIPVJBYXQYEALI-SWNWVQGVSA-N 290.366 3.861 30 20 CHED CC(C)c1cnc(SCCCC2(C#N)CCOCC2)[nH]1 600585402 OZIWYMJLKLYBRO-UHFFFAOYSA-N 293.436 3.726 30 20 CHED C=CCCC1(C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)CC1 356244427 IFAFWKPJECDDKX-KGLIPLIRSA-N 281.465 3.865 30 20 CHED C=CC(C)(C)CNCc1cc(C)c2ncccc2c1 449485719 OHHUOOBZFCHGDY-UHFFFAOYSA-N 254.377 3.845 30 20 CHED CC(C)(CCC#N)CN1CC[C@H]1Cc1ccccc1 353970899 GWIXLTDCUPJZND-INIZCTEOSA-N 256.393 3.633 30 20 CHED C=C1CCN(C(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 352037202 RBVPLVWZGSZHRM-UHFFFAOYSA-N 288.778 3.542 30 20 CHED N#Cc1ccc(CN2CCCSc3ccccc32)o1 356335216 JWSRIOFPDVXBAZ-UHFFFAOYSA-N 270.357 3.654 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)C(=O)N1CCCC[C@H]1C 449116878 RTJKSQXSVIPPLZ-ARFHVFGLSA-N 280.456 3.500 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CC1CCC(C)(C)CC1 611030109 FEHVZYIVIDXMJI-AWEZNQCLSA-N 264.413 3.647 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C1=CCCCCC1 618787786 NSUFSQQEWBNTSK-KRWDZBQOSA-N 280.371 3.552 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(OC)cc1 537185675 NNNFVOUPSLCRJM-ZIAGYGMSSA-N 290.407 3.800 30 20 CHED C=CCOc1cccnc1-c1nc(-c2ccccc2F)no1 355797977 RFRLKFWUXDMXLL-UHFFFAOYSA-N 297.289 3.503 30 20 CHED N#Cc1cccc(SCc2ncoc2C2CC2)c1 356184973 BYSVOUWKXSIPID-UHFFFAOYSA-N 256.330 3.716 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3ccsc23)cc1O 443059049 AZIVWYOMTKKCJX-UHFFFAOYSA-N 294.335 3.731 30 20 CHED Cc1cc(C#N)ccc1CN1CCC(OC(C)(C)C)CC1 614402359 AOMHGKKAFIKBOH-UHFFFAOYSA-N 286.419 3.646 30 20 CHED CC(C)CCCNC(=O)C[C@H](CC#N)c1ccccc1 354413841 IMLZARPZULWGPU-INIZCTEOSA-N 272.392 3.626 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 448660311 ZYBCUQXVLKTECG-WMZOPIPTSA-N 296.414 3.876 30 20 CHED C=CCC1(NC(=O)c2ccc(C)c(C(C)=O)c2)CCCC1 619110120 AALCYHRFEXTHAU-UHFFFAOYSA-N 285.387 3.816 30 20 CHED C=C(C)CSCC(=O)N(C)[C@H](C)c1ccccc1 357023479 CURLLFIDTJWPBA-CYBMUJFWSA-N 263.406 3.515 30 20 CHED CO[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)C(C)(C)C 613426481 UWFXYBNSNDNCNR-AWEZNQCLSA-N 289.423 3.724 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 451022077 HCWUKLAQZWCEKB-INIZCTEOSA-N 275.348 3.735 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2ccc(C)s2)C1 617778241 BFWCKTBAVNVRIL-CQSZACIVSA-N 277.433 3.804 30 20 CHED N#Cc1ccc(CNc2cnc3ccccc3n2)cc1Cl 619747379 XZMBIRPMEUSKLU-UHFFFAOYSA-N 294.745 3.767 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1c1ccc(C#N)nc1 450604021 VPIHPDQYZVVCRN-GLJUWKHASA-N 277.371 3.724 30 20 CHED CN(Cc1cccc(C#N)c1F)[C@H]1CCc2ccccc2C1 539248957 KGPGHAYBWJUURO-SFHVURJKSA-N 294.373 3.687 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H](C)C2CCC2)c1 455949477 DKMMSSMKPXLSJL-LBPRGKRZSA-N 271.364 3.519 30 20 CHED CC(C)(CCNc1cnccc1C#N)c1ccccc1 611280853 GHSBJHNZMZSSDP-UHFFFAOYSA-N 265.360 3.733 30 20 CHED C[C@H](CN1CCC(C#N)(c2ccccn2)CC1)C(C)(C)C 619845917 KLNKAWDOVCRXOL-OAHLLOKOSA-N 285.435 3.621 30 20 CHED Cc1ccc(Cl)cc1NC(=O)N1CCC[C@](C)(C#N)C1 612292280 GEJSCEBUTCGWBJ-OAHLLOKOSA-N 291.782 3.806 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(CC#N)cc1)CC2 612096719 WEHAIUSJSPDWMI-UHFFFAOYSA-N 262.356 3.624 30 20 CHED C=CCN(C(=O)c1cc(CCC)c(C)s1)[C@@H](C)COC 617576456 UFRHNLTVGLLNEG-LBPRGKRZSA-N 295.448 3.672 30 20 CHED C[C@@H]1CC[C@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C[C@H]1C 450305618 XBVKJEMRUICZML-FMKPAKJESA-N 296.414 3.736 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2cccc(F)c2F)C1 617785951 QKFHQZXDLYJADN-CYBMUJFWSA-N 293.357 3.712 30 20 CHED C=CCC1(NC(=O)COc2cc(C)ccc2F)CCCC1 619108625 ZJHQJGHXORSQLD-UHFFFAOYSA-N 291.366 3.518 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1ccccc1O 610480320 VLTLVAAMHKZYPN-CYBMUJFWSA-N 255.342 3.619 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1(CC#N)CC1 362360723 VDYDZMOKWFCIBV-UHFFFAOYSA-N 279.727 3.662 30 20 CHED CC(C)Cn1cc(/C=C2\Cc3c(F)cccc3C2=O)cn1 272727074 AIVIPSGUMYKRQV-AWNIVKPZSA-N 284.334 3.501 30 20 CHED CC(C)N(Cc1cccc(Cl)c1)C(=O)NCCCC#N 273304497 UTTMIERWEUPRRI-UHFFFAOYSA-N 293.798 3.564 30 20 CHED CCc1cnc(CN[C@H](CC)c2ccc(C#N)cc2)s1 278783067 PZDNBXCIKWJXAY-OAHLLOKOSA-N 285.416 3.818 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1sccc1C 274509097 WYLUDNFEOYLUNK-CHWSQXEVSA-N 263.406 3.633 30 20 CHED CC1(C)CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 456021603 RYTHHWRERZQNSF-MRXNPFEDSA-N 298.430 3.822 30 20 CHED C[C@H]1CCCN1c1c(C#N)cnc2ccc(Cl)cc12 361276003 UCTQPWNIGIKTRD-JTQLQIEISA-N 271.751 3.749 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2cccc(CC#N)c2)C1 456920997 OYQDMFCDSVFCHA-OAHLLOKOSA-N 284.403 3.699 30 20 CHED N#CCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 273078618 XCGZHTYDLGVHBE-NWDGAFQWSA-N 297.185 3.517 30 20 CHED CC(F)(F)c1ccccc1NC(=O)NCC1(CC#N)CC1 455777897 UZKBNKVDZSYWCO-UHFFFAOYSA-N 293.317 3.614 30 20 CHED Cc1ccc(-c2nnc(S[C@H]3CC[C@@H](C#N)C3)n2C)cc1 278552488 LPDWJHZOIMGBDL-OCCSQVGLSA-N 298.415 3.575 30 20 CHED C=CCCCC(=O)NC1(Cc2cccc(Cl)c2)CC1 456716867 APUNQCRFINXAJW-UHFFFAOYSA-N 277.795 3.888 30 20 CHED CCC1CCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 456000964 LPGUBFHOUNGICK-UHFFFAOYSA-N 271.364 3.521 30 20 CHED C#Cc1cccc(NC(=O)C2(c3cccnc3)CCCC2)c1 368551242 OAVXQNBJYWAELA-UHFFFAOYSA-N 290.366 3.513 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccc(C)c(C)n1 459232956 LIUYEVSTIQPWST-UHFFFAOYSA-N 289.423 3.586 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccccc1CC#N 549713372 ROLVIPAMIONXDY-ZDUSSCGKSA-N 258.365 3.908 30 20 CHED C=CCN(CCOC)C(=O)Nc1cccc(C2CCC2)c1 361817209 XSZONGOMEOMLNK-UHFFFAOYSA-N 288.391 3.620 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(CC#N)cc1 454344279 NJYQAATUILJEIO-CABCVRRESA-N 285.391 3.700 30 20 CHED C[C@H](NC[C@@H]1CCOC(C)(C)C1)c1ccc(C#N)c(F)c1 453430704 REUFVKIFVUCHPD-QWHCGFSZSA-N 290.382 3.553 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](c1ccccc1)C(C)(C)C 278532898 LQVMHHWXDHKLHM-OAHLLOKOSA-N 272.392 3.830 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@@H](C)c1ccccc1 546667560 MCOZGMWHDHYXEU-OAHLLOKOSA-N 274.408 3.788 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)C1(C#N)CCCC1 546159941 PSGPSPOVSMKQJB-AWEZNQCLSA-N 270.376 3.565 30 20 CHED COCCC1(CNc2nc(Cl)c(C#N)s2)CCCC1 278682794 LGHRWCJZWVCLCU-UHFFFAOYSA-N 299.827 3.677 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H]2c2ccccc2)c1C#N 542279854 OQGYNLJLQJXHDJ-OAHLLOKOSA-N 283.762 3.867 30 20 CHED CC#CCCSCc1ccn(C(CC)CC)n1 462372754 ZBOKRGNBMIVXSW-UHFFFAOYSA-N 250.411 3.891 30 20 CHED COc1cc(C#N)ccc1COc1cc(F)ccc1C 468319943 YYRHOVBKNKAWEY-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(F)c(C#N)c2)C1 285168679 ZNOQGLKZXPBXDR-AWEZNQCLSA-N 288.366 3.596 30 20 CHED C=CCN1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 468845004 FHPWUDRPIOYESL-IBGZPJMESA-N 279.383 3.981 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(Br)c(C)c1 466364750 QWNVUKWAXLSTKB-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 467093845 SUOJMMDIBYIMNN-YOEHRIQHSA-N 286.419 3.918 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1Cc2ccccc21 460371222 AJHPAVGOEJNPGA-INIZCTEOSA-N 257.377 3.531 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1csc2ccccc12 286240877 UTHUHBVIGHPNBE-OAHLLOKOSA-N 273.357 3.884 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC(C)(C)[C@H]1[C@H]1CCCO1 289778035 MPTSXWGHCMVMKN-KBRIMQKVSA-N 284.403 3.509 30 20 CHED CCCCCC(=O)N[C@H](C#N)c1ccc(CC)cc1 554789541 BJZXFPUQXBRGJL-OAHLLOKOSA-N 258.365 3.510 30 20 CHED C=C[C@H](C)NC(=O)c1cc2ccccc2c2cccnc12 465140346 NBGQBCXIIUKYMR-LBPRGKRZSA-N 276.339 3.692 30 20 CHED C=CCCCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 468373350 RFPLKWVXMGGYCO-RFQIPJPRSA-N 273.376 3.589 30 20 CHED C=CCC[C@@H](NC[C@](C)(O)c1ccsc1)c1ccco1 285967145 GYGNDXBXSMGZBA-ZBFHGGJFSA-N 291.416 3.846 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)o1 467549783 CRGOEOOVJHLART-ZBFHGGJFSA-N 280.371 3.919 30 20 CHED CC(C)C[C@H](C)Cn1cc(C#N)c(=O)c2ccccc21 281008123 OGUMOGPUGHXSJX-ZDUSSCGKSA-N 268.360 3.555 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2ccccc2n1 467829048 BTNCSVNXYDHDKH-UHFFFAOYSA-N 266.344 3.942 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCCc1ccccc1)CC2 554996723 BCXNYHIQALOIHT-LJQANCHMSA-N 276.383 3.768 30 20 CHED Cc1nc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)c(Cl)cc1C#N 461942858 QIYWIFKYGKSYIR-VZJVUDMVSA-N 289.810 3.930 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 286418801 QVBGVGUFPRYMQQ-NVXWUHKLSA-N 269.388 3.790 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(F)c1 806112721 DDENGAAQEYWMSG-UHFFFAOYSA-N 296.345 3.801 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](C(C)(C)C)CC1 473840490 APZNKJUWKOGDQA-YJBOKZPZSA-N 295.467 3.890 30 20 CHED C=CCC[C@H](NC(=O)c1cnn(CC)c1C)c1ccccc1 630295855 NPDDOQJYIPLQBH-KRWDZBQOSA-N 297.402 3.649 30 20 CHED Cc1ccc(CCC(=O)Nc2ccc(C(C)(C)C#N)cc2)o1 471299942 FHFIJCLZRWLVIQ-UHFFFAOYSA-N 296.370 3.961 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H](c1ccccc1)N(C)C 471611302 BZAOJQHOIANRAV-OVWQWFNUSA-N 274.452 3.868 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccccc1O[C@@H](C)C#N 297969828 PXZHBKQPNNYMDU-LBPRGKRZSA-N 272.348 3.518 30 20 CHED CC(C)CCOc1ccc(C=NN[C@H]2CCSC2)cc1 808001502 CNJYGHVDHYAEQO-HNNXBMFYSA-N 292.448 3.541 30 20 CHED CN(CCC#N)c1ccc(CN2CCC[C@@H](C3CC3)C2)cc1 809787055 RSZNLVTVZKISPW-GOSISDBHSA-N 297.446 3.658 30 20 CHED CCN(CC(C)(C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1 291530071 PYTAAWWOAAUJTK-CYBMUJFWSA-N 287.407 3.697 30 20 CHED Cc1cccc(OCc2ccc(CC#N)cc2)c1[N+](=O)[O-] 399064691 MCBPKZBIFDYKAV-UHFFFAOYSA-N 282.299 3.548 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc(C(C)C)oc1C 804836770 UPNJKOGGWJEGTL-UHFFFAOYSA-N 295.382 3.987 30 20 CHED CCCCCCCCNC(=O)Cc1nc(CC)cs1 801178207 LDIZSNRCVNGLEN-UHFFFAOYSA-N 282.453 3.725 30 20 CHED C=CCc1ccc(OC[C@@H](O)C2CCCCC2)c(OC)c1 473774873 UUKJTGCKLAQMLP-MRXNPFEDSA-N 290.403 3.744 30 20 CHED C[C@@H]1CC(=NNc2nccnc2C2CCC2)C[C@@H](C)C1 807991962 WOJPOXFRSKRASY-RYUDHWBXSA-N 272.396 3.968 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cccc(-n2cc(C)nc2O)c1 475513226 JNYLOFIXCGQHRB-OCCSQVGLSA-N 285.391 3.899 30 20 CHED CC#CCN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 473189332 IBCNPABJGZMNOG-AWEZNQCLSA-N 299.361 3.819 30 20 CHED C=C(C)C[C@@H](C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 568149706 XKUZFTFYYYEATR-RHSMWYFYSA-N 288.435 3.528 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)c2ccc(C)o2)cc1 809257961 MHFSLMRMIPFXRB-XJKSGUPXSA-N 296.370 3.635 30 20 CHED CCOc1cccc(/C=C\C(=O)c2cccc(C(=O)O)c2)c1 806558864 NWMXTJMWLNALOI-KTKRTIGZSA-N 296.322 3.680 30 20 CHED C=CCCCCCCCCNC(=O)N[C@H]1CCO[C@H](C)C1 805252298 ZUBIIMZFGYYNRK-CVEARBPZSA-N 296.455 3.770 30 20 CHED Cc1ccccc1C1(C(=O)N(C)[C@H](C)C#N)CCCCC1 297744668 LFAPJWOCRJILBO-OAHLLOKOSA-N 284.403 3.567 30 20 CHED COc1ccc2cc(CN[C@H]3CC[C@H](C#N)C3)ccc2c1 472138354 MARVUQYWWDKTEH-GUYCJALGSA-N 280.371 3.630 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)NCC2(C#N)CC2)cc1 562437111 UHLZBCHNARPZIR-AWEZNQCLSA-N 284.403 3.724 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]1C 483674628 YBJWMUAJZDCODO-GDBMZVCRSA-N 278.440 3.953 30 20 CHED CCCN(CC#N)CCOc1cc(Cl)ccc1Cl 480202849 QPSIXDCFJOTXMM-UHFFFAOYSA-N 287.190 3.608 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@@H](CC)C1)c1ccccc1 489679607 MUNPKBBKPOJUGS-NVXWUHKLSA-N 271.404 3.995 30 20 CHED C=CCN(CCc1ccccc1)CCc1cccc(C)n1 566155828 KOSNVHCXWUAABJ-UHFFFAOYSA-N 280.415 3.663 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 569565816 AFBAANLUGXFZEV-MGPQQGTHSA-N 282.387 3.862 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnc2ccc(F)cc2c1 488832992 VCAXLYOEMAWBAM-HNNXBMFYSA-N 284.334 3.555 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@H](C)CCCC)cn1 818924234 LUCLOHDGDMEAOS-OAHLLOKOSA-N 286.419 3.884 30 20 CHED CC1(C)CCC[C@@H]1NN=C1CCC[C@@H]1C(C)(C)C#N 814917859 UGXDLWYKWRNRRU-JSGCOSHPSA-N 261.413 3.861 30 20 CHED CC(C)c1ccc(O[C@H](C)CN[C@@H]2CC[C@@H](C#N)C2)cc1 566873313 PGOWMLYQZBWSKD-BFYDXBDKSA-N 286.419 3.859 30 20 CHED c1ccc(C[C@H]2CCC(=NNC[C@@H]3CCSC3)C2)cc1 814934901 DVCKYSKDSFSDPX-CVEARBPZSA-N 288.460 3.728 30 20 CHED CC(C)CON=C(C[C@H]1CCCO1)c1ccc(F)cc1 811645682 VWLNNSUJFDVLRJ-OAHLLOKOSA-N 279.355 3.772 30 20 CHED Fc1cc(F)cc(NN=C2CC[C@@H]2C2CCC2)c1 814813775 YXTDFQQVRRGLOS-CYBMUJFWSA-N 250.292 3.943 30 20 CHED CCC1(COC(=O)c2cc3ccccc3n2CC#N)CC1 816184690 JWPXRGUHOOLTKR-UHFFFAOYSA-N 282.343 3.512 30 20 CHED CCCCC[C@H](C(=O)N(C)CC(C)(C)C#N)C(C)C 817605136 MMKQYPKASUELMO-AWEZNQCLSA-N 266.429 3.847 30 20 CHED COc1ccc(NN=C2CCC3(CCCC3)CC2)nc1 811648088 DWYKSYBRSOKXBX-UHFFFAOYSA-N 273.380 3.993 30 20 CHED CCN(Cc1cccc(F)c1)Cc1ccc(F)cc1C#N 489637868 XYZYJFNRLZGQDQ-UHFFFAOYSA-N 286.325 3.859 30 20 CHED COc1ccc2[nH]c3c(c2c1)CC(=NOCCC1CC1)CC3 814245123 JKSILSADHYCNLF-UHFFFAOYSA-N 298.386 3.838 30 20 CHED C=C[C@@H]1CCCCN1c1ccnc(Cc2ccccc2)n1 486466794 IOAQGOVDQUFWJA-MRXNPFEDSA-N 279.387 3.612 30 20 CHED N#C[C@@]1(C(=O)Nc2cccc3ccncc23)CC12CCCC2 575636790 VTZDIVBPJIOJDY-GOSISDBHSA-N 291.354 3.647 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1ccc2ccccc2c1 811660936 WVPLBXNKNKYOMJ-AWEZNQCLSA-N 284.428 3.907 30 20 CHED Cc1nc(Oc2ccc(Cl)nc2)c(Cl)cc1C#N 812461920 FAYCMXHKWOYXDN-UHFFFAOYSA-N 280.114 3.756 30 20 CHED Clc1ccc(NN=Cc2cccc3cc[nH]c23)cn1 814858533 AUYUUADZHUATGH-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CN(CCCCC#N)CCOc1ccccc1C(C)(C)C 483315937 MBYKTGSTGWARSZ-UHFFFAOYSA-N 288.435 3.989 30 20 CHED C=CCCC(=O)OCc1ccc(Br)cc1F 726651854 WKAAWTVTFJHZJF-UHFFFAOYSA-N 287.128 3.598 30 20 CHED C[C@H]1C[C@H](NN=C2CCCCC23CCCC3)CCO1 814898579 ZHMDGZYDDVAHCM-UONOGXRCSA-N 264.413 3.634 30 20 CHED COc1cc(F)ccc1NN=Cc1ncc(C(C)C)s1 814915832 JOEXVBSCOGVXDX-UHFFFAOYSA-N 293.367 3.860 30 20 CHED CCCC(=NO[C@@H]1CCCCO1)c1ccc(OC)cc1 814888179 RQRRWHUYJAGQGT-MRXNPFEDSA-N 277.364 3.743 30 20 CHED CC(C)(C)c1ccnc(N[C@H]2CCc3cc(C#N)ccc32)n1 814882162 HZLMGTYOMMUHPH-HNNXBMFYSA-N 292.386 3.745 30 20 CHED C=CCC(F)(F)C(=O)N(C)C(C)(C)c1ccccc1 816606653 QISTUKPQZDMMIT-UHFFFAOYSA-N 267.319 3.592 30 20 CHED C[C@H](CNC[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 579763697 GWUKWBZQFBKCLF-WDEREUQCSA-N 270.298 3.558 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cnn(CCCC)c1C(C)C 485138134 POLIXZKKAQOQFZ-GFCCVEGCSA-N 278.400 3.503 30 20 CHED C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H](C)C1 572820072 JHNDOGRXCJZBNX-GPYXMWEOSA-N 296.414 3.603 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 481682234 GWDKZZKDECYQQN-NHYWBVRUSA-N 289.354 3.788 30 20 CHED CC#CCCNC(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 483424054 VHCINDGSCRTANK-MSOLQXFVSA-N 298.430 3.686 30 20 CHED COc1cccc(NN=Cc2ccc(F)c(C)c2)c1 729143631 OYDDHTBWKRJVQF-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C/C=C\c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 570080855 OUGTZEZSBBTZFC-IHWYPQMZSA-N 278.311 3.549 30 20 CHED C=CCn1cccc1C(=O)N(CC(C)C)C(CC)CC 490023786 JCPILIBNZLCLAM-UHFFFAOYSA-N 276.424 3.961 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC(=O)CC12CCC2 577290649 TWEZYGFJNQGWHN-UHFFFAOYSA-N 296.414 3.575 30 20 CHED C[C@@H](CCC#N)Sc1nnc(-c2ccc(F)cc2)o1 574499755 VTPBMRXXXGGZSR-VIFPVBQESA-N 277.324 3.660 30 20 CHED C[C@](C#N)(NC(=O)c1ccc(CF)cc1)C1CCCCC1 827855373 BNDBRNOJOITSNH-QGZVFWFLSA-N 288.366 3.748 30 20 CHED CCCCCC1=CCCC1=NNc1ccc(C)nn1 729935707 LDEJVQSOKMCPSW-UHFFFAOYSA-N 258.369 3.853 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)nc1 728806771 CKMADWIIGALGGO-UHFFFAOYSA-N 298.345 3.567 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cc(C(F)F)ccc1Cl 491096159 PSLKYETXACSMBW-VIFPVBQESA-N 286.709 3.811 30 20 CHED COc1ccc(C#N)cc1NC(=O)CC1CCCCCC1 495100542 JGWDGAUECBMMED-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C#CCCOc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)cc1 828327473 CCNCIZOUZDLBEU-MRXNPFEDSA-N 299.414 3.597 30 20 CHED C=CC[C@@H]1CCCN(Cc2ncc(Cl)s2)C1 661385922 QTWBMISCZKPBKY-SNVBAGLBSA-N 256.802 3.585 30 20 CHED Cc1c(C(=O)/C=C\c2c(Cl)cccc2Cl)cnn1C 588397149 RKPZGLKCSLIBRH-SREVYHEPSA-N 295.169 3.931 30 20 CHED COc1cccc2c1CC/C(=C/c1ccc(O)c(F)c1)C2=O 588618461 UFGULKCFIBERFJ-XFXZXTDPSA-N 298.313 3.752 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCc2sccc21 726890259 FBMCAQLSDPIAHK-PKNBQFBNSA-N 285.324 3.869 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 498403407 IQSXXCJFYQLFCA-ZIAGYGMSSA-N 299.418 3.671 30 20 CHED C#CCCCCCCN1[C@H](C(=O)O)CC[C@H]1c1ccccc1 902044877 CNCCEFJGSZWGHT-ROUUACIJSA-N 299.414 3.860 30 20 CHED CCc1nc([C@@H](C)/N=C/c2c(O)cccc2OC)cs1 731937605 KSHAPQLUAIHCQY-LYQMGENXSA-N 290.388 3.600 30 20 CHED CC(C)(C)/N=C1/NN=C(c2ccc(F)c(Cl)c2)CS1 736347858 GVUXFBBJDFFASB-UHFFFAOYSA-N 299.802 3.674 30 20 CHED CSc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)ccc1F 839051602 DXGFRPCTFQKGMG-JQWIXIFHSA-N 293.363 3.787 30 20 CHED CCC(CC)CNN=C(C)CCCc1cccnc1 834972745 QEDSJXSCBZJLGT-UHFFFAOYSA-N 261.413 3.806 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1C(F)F 905968200 KRTPRAOTCHJGIZ-AAEUAGOBSA-N 281.302 3.544 30 20 CHED Cc1cc(F)ccc1-c1noc(CCCCCC#N)n1 589126785 AWMFJCULQDRIPZ-UHFFFAOYSA-N 273.311 3.811 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@]1(C)CCC[C@@H]1C 835336472 GYRZZDBSNYHFSH-NUEKZKHPSA-N 268.397 3.585 30 20 CHED N#Cc1ccc2nc(N3CCC(C4CC4)CC3)ccc2c1 589872980 IRMOJRMZUHTHNR-UHFFFAOYSA-N 277.371 3.733 30 20 CHED Cc1ccccc1-c1ccccc1C=NNCC(C)(C)CO 834975387 JAANBSLYCNVCFM-UHFFFAOYSA-N 296.414 3.604 30 20 CHED CNc1ccc(C)cc1CN[C@H]1CCc2cc(C#N)ccc21 902529185 BBBDNBGETIHIRY-IBGZPJMESA-N 291.398 3.686 30 20 CHED Oc1ccccc1/C=N\C[C@@H](O)c1ccc2ccccc2c1 731488680 OVZWPCBIJCFWPS-CNJGYECJSA-N 291.350 3.698 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cccc(-c2ccncc2)c1 903106913 YLJXJMPPIPHSJA-CQSZACIVSA-N 277.371 3.703 30 20 CHED C=C(Br)COC(=O)[C@@H](CC)Cc1ccccc1 732854753 QWODGNYDASVWDE-ZDUSSCGKSA-N 297.192 3.707 30 20 CHED CC1(C)OCC[C@H]1NN=C1CC[C@@H](Cc2ccccc2)C1 835022264 YLKGBDNVLRHHME-DOTOQJQBSA-N 286.419 3.542 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@](C)(COC)C1 836463143 UGOCWHGPEWUSAG-KRWDZBQOSA-N 296.455 3.581 30 20 CHED C=CCC1(CNC(=O)[C@@H](C)c2ccc(C)o2)CCCC1 836990438 GGIOIIVTGFAJCS-AWEZNQCLSA-N 275.392 3.944 30 20 CHED CCCC[C@H](CCC)OC(=O)COc1ccccc1C#N 730295340 RKMZZOIISJBODG-HNNXBMFYSA-N 289.375 3.839 30 20 CHED C[C@]1(CC(=O)O[C@H]2CCC[C@H](C#N)C2)CC1(Cl)Cl 839056857 LADWMYHIOMOTCR-NHCYSSNCSA-N 290.190 3.586 30 20 CHED C=CCC1(C(=O)OCc2cccc(C)n2)CCCC1 835235989 GAJITVVRXMKGSV-UHFFFAOYSA-N 259.349 3.570 30 20 CHED CC(C)c1nccnc1NN=C1C[C@@H](C)CC[C@H]1C 834976696 GWAVJAYWAHOXNN-NWDGAFQWSA-N 260.385 3.824 30 20 CHED C=CCC[C@H](CC)NC[C@H](CO)c1ccc(Cl)cc1 672620506 QCHUACFDSGDWEX-ZBFHGGJFSA-N 281.827 3.750 30 20 CHED CCc1ccc(C=NNc2cnnc3ccccc23)s1 733748257 NGVWUEAOZVCLPO-UHFFFAOYSA-N 282.372 3.700 30 20 CHED CCc1ccc(N(CC2CC2)C(=O)CCCC#N)cc1 836838701 QFOBLDNXWDRDAM-UHFFFAOYSA-N 270.376 3.686 30 20 CHED Fc1ccccc1-c1ncc(C=NOCC2CC2)s1 834982104 NNOFHNGGXKDRQI-UHFFFAOYSA-N 276.336 3.710 30 20 CHED C=CCN(Cc1ccc(O)cc1)Cc1ccc(OC)cc1 679396025 MRVRVFBJEZMKBA-UHFFFAOYSA-N 283.371 3.589 30 20 CHED CC[C@H]1CCCC(=NNC(=S)Nc2ccccc2)C1 734977348 OMMOYOXHFOOSME-LBPRGKRZSA-N 275.421 3.929 30 20 CHED CC/C=C(/C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730421725 NZJULFHPVFZHQW-KSHIFHCESA-N 288.347 3.968 30 20 CHED C[C@@H](NN=C1CC(c2cc(F)cc(F)c2)C1)C(F)(F)F 834999203 SBYPYYRJKQCZBV-YOXFSPIKSA-N 292.251 3.739 30 20 CHED C=CC[C@@H](NC(=O)N[C@@H](C1CCC1)C1CC1)c1ccncc1 838478081 SGDXARLYHRFOCF-SJORKVTESA-N 299.418 3.577 30 20 CHED Clc1ccc(NN=C2CC[C@@H]3CCCC[C@H]3C2)nn1 916288039 KVXSPTZQZYVJTO-QWRGUYRKSA-N 278.787 3.888 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc2c(c1)CCO2 917546687 UDUOSAKBBCOHRX-UHFFFAOYSA-N 287.750 3.506 30 20 CHED C=C(C)CCNC(=O)N1CCC(c2ccc(F)cc2)CC1 838659230 CZRILUPIVDSTCD-UHFFFAOYSA-N 290.382 3.681 30 20 CHED CN(C(=O)C#Cc1ccccc1)C1CCCCCCC1 747215474 GXUIOZRTQFBGKU-UHFFFAOYSA-N 269.388 3.609 30 20 CHED C/C(=C\C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 743775459 MUFPMGJCUOXMMX-ATGUSINASA-N 290.366 3.839 30 20 CHED CCC(CC)Cn1nc(C(C)(C)C)c(CCC#N)c1O 596259852 BQCPAAUWUPCWQD-UHFFFAOYSA-N 277.412 3.779 30 20 CHED CSc1ccc(C(C)=NNc2ccc(Cl)nn2)cc1 916288329 WRZWCYUOSOMRMP-UHFFFAOYSA-N 292.795 3.688 30 20 CHED Cc1ccc(-n2ncc(N[C@@H]3CC[C@H](C#N)C3)c2C)cc1 593725457 LTOSCOUPFNJCJQ-LSDHHAIUSA-N 280.375 3.593 30 20 CHED C=CCN(C(=O)[C@@H](C)SCCCC)C(C)(C)C 598866387 RMTKENNEKJDBQK-GFCCVEGCSA-N 257.443 3.721 30 20 CHED CCC(=NNc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 915934955 OJFCAHNQMWSFME-UHFFFAOYSA-N 287.294 3.960 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(C)[C@@H](C#N)CC 594090902 XQSRUFNHLBZOSV-HUUCEWRRSA-N 264.413 3.744 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(C)[C@@H](C#N)CC 847168675 PNHAJEXNHNXIFZ-ZIAGYGMSSA-N 252.402 3.744 30 20 CHED C=CCN(C(=O)c1cnc(OC(C)C)c(Cl)c1)C(C)C 917659296 TUCUGWKHOVAVNU-UHFFFAOYSA-N 296.798 3.559 30 20 CHED COCCc1ccc(-c2ccc([C@@H](C#N)OC)cc2)cc1 844229729 RUFNQVXETMSTRI-GOSISDBHSA-N 281.355 3.754 30 20 CHED CCC[C@H](C/N=C\c1cc(Cl)cc(Cl)c1O)OC 840707112 NPMPFLADDFZCPS-CRZGJZTJSA-N 290.190 3.933 30 20 CHED CCOc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 748679640 MAEPTUJOGDHJFU-ZDUSSCGKSA-N 295.338 3.875 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCCc1ccc(C#N)cc1 595446362 CHOJMDWMVCDNHH-IRXDYDNUSA-N 288.460 3.755 30 20 CHED CC(C)(CC#N)CNc1cc(Cl)c(F)cc1[N+](=O)[O-] 845564088 MLEBQXUVMHFJSU-UHFFFAOYSA-N 285.706 3.739 30 20 CHED CO[C@@H](CNc1ccccc1O[C@@H](C)C#N)c1ccccc1 841703451 VSZSATWKNCILKI-KSSFIOAISA-N 296.370 3.777 30 20 CHED CC#CCOC(=O)c1c[nH]cc1-c1ccc(Cl)s1 744831859 FXIIMAYCXDVWMU-UHFFFAOYSA-N 279.748 3.577 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1C2CCCC1CCC2 678858769 OGOCLXHOIUTXKL-WLYUNCDWSA-N 264.413 3.848 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCc2cc(F)ccc21 747441264 ZSTXYUYCHIUYCE-LCYFTJDESA-N 297.285 3.946 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N[C@@](C)(C#N)C(C)C)cc1C 749605916 FHMUOZNBPSSFQZ-ZEVQVBBLSA-N 284.403 3.680 30 20 CHED N#Cc1c(N2CC[C@@H]2c2cccc(F)c2)ncc2c1CCC2 591820962 QUFICUUMIXUUSQ-QGZVFWFLSA-N 293.345 3.532 30 20 CHED CCCn1nc(C)c(-c2ccc(OCC)c(C#N)c2)c1C 596641481 WJDIYMWGFOBYIQ-UHFFFAOYSA-N 283.375 3.847 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C(C)C 747373666 MQOSCNGLFSABEF-LSDHHAIUSA-N 277.795 3.867 30 20 CHED Cc1ccnc([C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)n1 598641897 YIBUJWIVEJEMFS-LBPRGKRZSA-N 295.390 3.522 30 20 CHED C=CCCSCCNC(=O)Cc1cccc(C(F)F)c1 597970556 SBPBOTKHDDCOGL-UHFFFAOYSA-N 299.386 3.592 30 20 CHED FC(F)(F)c1ccc(CON=Cc2cc[nH]c2)cc1 746575853 IXAQSPRQINJALL-UHFFFAOYSA-N 268.238 3.584 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 674955564 FPWABNKNOMWWFT-GFCCVEGCSA-N 282.387 3.741 30 20 CHED CC[C@@H](OCCN(CC#N)C1CCCC1)c1ccccc1 593014563 MNWIJXLFEFFGIA-GOSISDBHSA-N 286.419 3.922 30 20 CHED CCOc1ccc(/C=N/[C@@H]2CCCC[C@H]2OCC)c(O)c1 840708326 ABXGOOPKRSZTTA-LUHQZAGKSA-N 291.391 3.558 30 20 CHED Cc1ccc(CC(=NNc2ccccn2)C2CC2)cc1 741838694 WZLZNXSAWXUAAJ-UHFFFAOYSA-N 265.360 3.811 30 20 CHED N#CCCCCCC(=O)Nc1nc(-c2ccccc2)co1 591079877 HHMZCHZKPGOCMD-UHFFFAOYSA-N 283.331 3.754 30 20 CHED Cc1cccc(NN=C2[C@H]3CCCO[C@@H]3C2(C)C)c1 743416679 ATNFFEUGFWAIQD-HIFRSBDPSA-N 258.365 3.598 30 20 CHED CC(C)(C)CCOC(=O)CSCc1ccc(C#N)cc1 919207506 YBBJYCATQKGVCF-UHFFFAOYSA-N 291.416 3.771 30 20 CHED C#CCCCC(=O)O[C@@H](C#C)c1ccc(Cl)cc1F 842354311 WHMBNZKQLVTLBR-AWEZNQCLSA-N 278.710 3.500 30 20 CHED Cc1cc(C#N)ccc1N(C)C[C@H](C)c1nccs1 846750439 DEEBRABNPUBAFG-LBPRGKRZSA-N 271.389 3.563 30 20 CHED CCCCCCCC(=O)OCc1nnc(C(C)(C)C)o1 919222830 HLMYXISGPMVHJE-UHFFFAOYSA-N 282.384 3.771 30 20 CHED C#CCOc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 742379149 RWSLEQAGLBODCP-OKZBNKHCSA-N 283.415 3.757 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(CC#N)cc1 592578118 CHTUGEMXYBGPKW-DZGCQCFKSA-N 270.376 3.763 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 592626315 WQRNTLGRADSFFT-SJLPKXTDSA-N 294.398 3.798 30 20 CHED Cc1nnc(S[C@H](C#N)c2ccccc2)n1C(C)C 594894213 HZKBMYHJIAZXEV-CYBMUJFWSA-N 272.377 3.524 30 20 CHED CCC(C[C@H](C)CC)=NNc1ccccc1C(=O)O 915955496 FLGMXDPDZOEMPK-LLVKDONJSA-N 262.353 3.999 30 20 CHED COc1ccc(/C=C2\Oc3ccccc3C2=O)cc1C 742436835 OECKYPSZVXNBBJ-YBEGLDIGSA-N 266.296 3.620 30 20 CHED C=C(Cl)CNc1cc(N2CCCC2=O)ccc1Cl 849315182 XAEVLNXSPYDROQ-UHFFFAOYSA-N 285.174 3.631 30 20 CHED CCCCCCCCNC(=N)NCC[C@@H]1CCO[C@H](C)C1 849078956 UHTTXTUPTXGOIR-HZPDHXFCSA-N 297.487 3.666 30 20 CHED C=C(Cl)CNc1ccc(C(=O)NCCC)c(Cl)c1 849313778 MPEIQYCTWRNKCT-UHFFFAOYSA-N 287.190 3.644 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 748239783 JKWPEFPMTOZXJQ-AWEZNQCLSA-N 289.375 3.530 30 20 CHED N#CC1(CC(=O)NC(C2CCC2)C2CCC2)CCCCC1 597650628 TYKOZZXDESNMIB-UHFFFAOYSA-N 288.435 3.936 30 20 CHED COC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(F)c(F)c1 925684726 COTDIYMDRZJZPY-ABAIWWIYSA-N 296.361 3.570 30 20 CHED CC[C@@H](COC(=O)[C@]1(C#N)CC12CCCC2)CC(F)F 849791107 KHPWLBUAGAHXMS-IAQYHMDHSA-N 285.334 3.685 30 20 CHED Cc1cccc(C)c1CN(CC(C)C)C(=O)C#CC1CC1 843955890 HYJZNFUKWGWBHL-UHFFFAOYSA-N 283.415 3.701 30 20 CHED Cc1ccccc1[C@H](C)C(=O)OCCC(C)(C)C#N 923915119 ZCRJHFMKPYHQSB-ZDUSSCGKSA-N 259.349 3.582 30 20 CHED C#C[C@@H](CC)NC(=O)C1(c2c(Cl)cccc2Cl)CC1 754367540 XVZRZCJOBAFAHT-JTQLQIEISA-N 296.197 3.553 30 20 CHED CCC(=NNc1c(Cl)cccc1Cl)c1nccn1C 755773912 XPRMZFDCLJOPAI-UHFFFAOYSA-N 297.189 3.953 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(OCC)c(OC)c1 929379622 FFWDYZSGASKJMK-LBPRGKRZSA-N 277.364 3.635 30 20 CHED C#CC[C@@H](NC(=O)Nc1cccc(C#C)c1)c1ccccc1 757761390 MAEZVANORALUFV-GOSISDBHSA-N 288.350 3.554 30 20 CHED N#Cc1cccc([C@@H]2CN(CCCC3CCC3)CCO2)c1 851881900 QTHMLRVFBMSWRA-SFHVURJKSA-N 284.403 3.512 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)C1 855257080 XCBOPVYUHHVDRN-JQHSSLGASA-N 296.414 3.723 30 20 CHED C#CCN(C(=O)C[C@H](C)c1ccco1)C1CCCCC1 858847945 LADPNAHKCDLRMW-AWEZNQCLSA-N 273.376 3.568 30 20 CHED C=CCN(C(=O)/C=C\c1ccccc1F)C(C)(C)C 857650986 NFNAPZAHUWXEQA-KHPPLWFESA-N 261.340 3.652 30 20 CHED C=C[C@@H](CC(=O)O[C@H]1C=CCCC1)c1ccccc1 758912850 OHZAHHHGNSQDBO-HOCLYGCPSA-N 256.345 3.998 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@H]1c1ccccc1F 926567559 IPWATTQKSYZGHX-OSAQELSMSA-N 260.356 3.600 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C=C1CCCC1 752048038 OJWAJCWVCGHNQB-QZTJIDSGSA-N 294.398 3.785 30 20 CHED Cc1ccc2occ(CC(=O)OCCCCC#N)c2c1 859798008 WPSXNJLNKFUJCN-UHFFFAOYSA-N 271.316 3.521 30 20 CHED CCCCCCCCNC(=O)NC1CCN(C(C)C)CC1 754838164 IFIXISYDKCBHPS-UHFFFAOYSA-N 297.487 3.519 30 20 CHED CN(Cc1cc2c(cc1O)CCC2)c1ccc(C#N)cc1F 754770075 NKVSESIOQSFFNT-UHFFFAOYSA-N 296.345 3.528 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@@H](C)CC(C)(C)C#N 851205871 MUUOFWAIQQRMDY-FZMZJTMJSA-N 257.349 3.776 30 20 CHED CON=Cc1c(C(C)C)nn(Cc2ccccc2)c1Cl 754706340 JEYSSGRZMLRIQB-UHFFFAOYSA-N 291.782 3.689 30 20 CHED Clc1cc(Cl)cc(C=NO[C@H]2CCCCO2)c1 755816283 DKNAYSGAPKWNNS-LBPRGKRZSA-N 274.147 3.871 30 20 CHED C=CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 855382381 VUCQQMMWUIUCIY-UHFFFAOYSA-N 272.175 3.618 30 20 CHED Cc1cc(C)cc(COC(=O)c2ccc(CC#N)cc2)c1 758678627 SGJQOWJIUGUYQE-UHFFFAOYSA-N 279.339 3.727 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1sccc1C#N 931838706 XYOCIDYTLNGWPU-UHFFFAOYSA-N 265.382 3.520 30 20 CHED Cc1cc2c(N3CCc4ccc(C#N)cc43)ncnc2s1 761237838 XNYAGVKUEIYFQP-UHFFFAOYSA-N 292.367 3.566 30 20 CHED COc1cc(Br)ccc1N[C@@H]1CC[C@@H](C#N)C1 866489746 BKEYHZSFBLOTBY-MWLCHTKSSA-N 295.180 3.562 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 766572037 LOKKUBPWTQVSSB-GJZGRUSLSA-N 258.409 3.902 30 20 CHED C=C1CCN(C(=O)Nc2c(F)cccc2Cl)CC1 864254126 FSLGHJYHYDOKPU-UHFFFAOYSA-N 268.719 3.663 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1ccc(F)cc1F 768747622 XHYMSVPDMCTUEJ-UHFFFAOYSA-N 295.329 3.771 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1cncc(C)c1 767394400 PXHIRJALTCZXGB-UHFFFAOYSA-N 284.750 3.751 30 20 CHED C#CCOc1ccccc1-c1noc(C(CC)CC)n1 761995156 GYVFMMOODRECBY-UHFFFAOYSA-N 270.332 3.652 30 20 CHED C=C[C@H](Cc1nc(CC2CCOCC2)no1)c1ccccc1 761981759 ZAXDSIYQRGLEBC-OAHLLOKOSA-N 298.386 3.551 30 20 CHED C#C[C@H](OC(=O)c1cc(C)n(C(C)C)n1)c1ccc(C)cc1 860962961 MFWVYPAPEWKUFG-KRWDZBQOSA-N 296.370 3.612 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)Cc2ccccc21 768196560 REVVBEKEXTVLFP-GFCCVEGCSA-N 268.385 3.739 30 20 CHED CCC1(CC)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 769399967 ZBIATOZYVDHKRC-OAHLLOKOSA-N 286.419 3.990 30 20 CHED Cc1ccc(C)c2c1CCCC2=NO[C@@H]1CCCCO1 769798575 CHIONDUGJSEFTL-MRXNPFEDSA-N 273.376 3.887 30 20 CHED FC(F)(F)CCON=C[C@@H]1C[C@H]1c1ccccc1 777461535 ZJXPSDJTSGGCRA-RYUDHWBXSA-N 257.255 3.745 30 20 CHED C#CCOc1ccccc1NC(=O)CC1CCCCCC1 775950190 INQFWPARZGANHW-UHFFFAOYSA-N 285.387 3.998 30 20 CHED C=CC[C@H](NC[C@H](Cc1ccccc1)OC)c1ccncc1 877046068 HPJWOKRLVDYKLO-OALUTQOASA-N 296.414 3.546 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccc(COC)o1 879508768 UFEWQMUEPDAOAI-CQSZACIVSA-N 291.391 3.692 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NCc1ccc(OCC#N)cc1 772960339 RKDRLNYJRJSNFL-WMLDXEAASA-N 286.419 3.893 30 20 CHED C[C@H](C=NNc1ccc(C(C)(C)C)nn1)C(C)(C)C 1116935970 SWHOIOCEVDIAGS-LLVKDONJSA-N 262.401 3.854 30 20 CHED Cc1scc(COC(=O)CCCCCC#N)c1C 1119280792 KHDXWLCKQVFIFH-UHFFFAOYSA-N 265.378 3.882 30 20 CHED C#CCCCCCC(=O)Nc1cnn(-c2ccccc2)c1C 779991822 GGUUBRILWSKFLZ-UHFFFAOYSA-N 295.386 3.703 30 20 CHED N#Cc1ccnc(/C=C/C=C/c2ccc(F)cc2)c1 1117392270 PYCVKHRGDNZNTE-ZPUQHVIOSA-N 250.276 3.819 30 20 CHED CCc1c(C(=O)/C=C/c2ccn(C)n2)oc2ccccc12 773154851 NNAAOCNDRMDOBV-CMDGGOBGSA-N 280.327 3.625 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Nc1ccnn1C 775753521 QIICCWYYYUWITQ-ZDUSSCGKSA-N 280.416 3.538 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1 779460175 LLXYGACKKAZKBE-WAYWQWQTSA-N 257.720 3.940 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1cccc(Cl)c1 776370915 MLOGFLITLCINOR-UHFFFAOYSA-N 279.767 3.756 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CC3(CCC3)C2)c1 772841887 XRCZNLLODZUAMP-UHFFFAOYSA-N 291.395 3.741 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=Cc1ccc(C#N)cc1 777449495 WIEMBZKSWVMOIS-LJQANCHMSA-N 291.398 3.749 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 1120736049 GUSBSYYDAYUTSG-HOCLYGCPSA-N 257.377 3.952 30 20 CHED N#Cc1ccc(CNc2ccc(CN3CCCCC3)cc2)o1 883404121 PYGTUGLRALBIDJ-UHFFFAOYSA-N 295.386 3.749 30 20 CHED N#Cc1cccc(OCCCOC(=O)C[C@H]2C=CCCC2)c1 778397387 BXULDSVTSFGIHZ-HNNXBMFYSA-N 299.370 3.617 30 20 CHED C=CCC[C@H](C(=O)N1CCc2ncccc21)c1ccccc1 777747122 PUYGQAFLSXPJAU-INIZCTEOSA-N 292.382 3.721 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1CCC(C)C 779986519 PHYLZBXMRUYAQC-INIZCTEOSA-N 263.425 3.997 30 20 CHED CCCCCCCCCC(=O)NC1CCN(CC)CC1 886851691 PAHVRSVGEWHYLA-UHFFFAOYSA-N 282.472 3.728 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 786610879 HWJYWQRCGNTOBI-ABAIWWIYSA-N 277.320 3.801 30 20 CHED C=C[C@@H](C(=O)N[C@@H](C)c1nc(C)cs1)c1ccccc1 1123645855 VZVALDRIUASOPJ-GXTWGEPZSA-N 286.400 3.599 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)OCCCC(C)(C)C#N 784153819 YHVJPWZZDAUKHS-OAHLLOKOSA-N 295.423 3.987 30 20 CHED C/C=C(/CC)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 789337705 YBWLGLQWWYFFAM-DXCZGNEWSA-N 264.328 3.767 30 20 CHED Cc1noc(C(C)C)c1C(=O)OCCCC(C)(C)C#N 782096579 GZBLBQXUHFYMBC-UHFFFAOYSA-N 278.352 3.593 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(N3C[C@@H]4C[C@H]4C3)c2c1 884589660 GHNGKWUSZYKTBW-QWRGUYRKSA-N 283.762 3.524 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 785754486 ROFNJTGMRWMWBD-AWEZNQCLSA-N 297.738 3.894 30 20 CHED CC(=NNc1nc(CC2CC2)cs1)c1ccccc1 780529532 YEENINCUKVFWEB-UHFFFAOYSA-N 271.389 3.932 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc([N+](=O)[O-])s2)c1 782223688 VKJJTWJMZZKSHH-UHFFFAOYSA-N 275.333 3.719 30 20 CHED CO[C@@H](c1ccccc1)[C@H](C)NCc1cc(C#N)ccc1F 786858001 BWMQSJZLZHQTIH-SCLBCKFNSA-N 298.361 3.563 30 20 CHED N#Cc1c(Br)cccc1NCC1CCC1 164983277 DEVNENQDEIYJQH-UHFFFAOYSA-N 265.154 3.533 30 20 CHED COCCCON=Cc1ccc(F)c(Cl)c1Cl 795055413 LZAPMKLJTPHMAW-UHFFFAOYSA-N 280.126 3.520 30 20 CHED C=C1CCN(Cc2csc(-c3ccccc3)n2)CC1 513472948 OSUUOQHCWJRPEP-UHFFFAOYSA-N 270.401 3.962 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(F)ccc2O)c1F 799891297 CHYSEQKKLFSFQO-FNORWQNLSA-N 290.265 3.575 30 20 CHED COc1ccccc1CON=C[C@@H]1CCOc2ccccc21 799117347 IYKYAGFMLAPGIX-AWEZNQCLSA-N 297.354 3.764 30 20 CHED FC(F)(F)c1ccc(NN=C[C@H]2CCCSC2)nc1 794864724 DVXKIPONMDQPET-SECBINFHSA-N 289.326 3.641 30 20 CHED Oc1ccccc1/C=N\CCCCc1ccccc1 798068392 JWGVWDWWNCRQSD-JXAWBTAJSA-N 253.345 3.834 30 20 CHED C[C@H](Cc1cccs1)Nc1cccc(CC#N)c1 590662261 HEUQMSWATMUCEH-GFCCVEGCSA-N 256.374 3.857 30 20 CHED C=CC[C@@H]1CCCN(c2nccc3c(N)cccc23)C1 664256832 RRTUJVHVZUPGHI-CYBMUJFWSA-N 267.376 3.610 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(C#N)s1 793173827 DUILGOKOQVHEAZ-UHFFFAOYSA-N 276.752 3.504 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C)c(Cl)c(C)c1 565732716 KWLIAWPSSLCQLH-CQSZACIVSA-N 264.756 3.835 30 20 CHED CCSc1cccc(/C=C2/CCc3nn(C)cc3C2=O)c1 794962559 QLVRKQAGUFOMNE-LCYFTJDESA-N 298.411 3.745 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@@H]2CCCSC2)c(Cl)c1 794902187 NEURSTZQKRSWDV-VIFPVBQESA-N 299.783 3.789 30 20 CHED CC[C@@H](C)NN=Cc1ccc(Oc2cccnc2)c(C)c1 790180822 ATGGRPRALTVMGG-CQSZACIVSA-N 283.375 3.904 30 20 CHED C#C[C@@H](NC(=O)CSc1ccc2ccccc2c1)C(C)C 799044815 TYSLDJDYYLZIKW-QGZVFWFLSA-N 297.423 3.706 30 20 CHED C=C(CC)CN1CCCCC[C@H]1C[C@@H](O)c1ccco1 773428660 LYXVPLAKJZFUNY-JKSUJKDBSA-N 277.408 3.914 30 20 CHED Cc1nsc(NCC[C@@H](C)c2ccccc2)c1C#N 92912432 HYTXOJWZPLTJBD-LLVKDONJSA-N 271.389 3.929 30 20 CHED C[C@@H](CCC#N)CN1C[C@@H](C)Oc2c(Cl)cccc21 1308728558 IMTJKSVZYXSJEG-NWDGAFQWSA-N 278.783 3.867 30 20 CHED N#Cc1cc(Oc2ccccc2OCC(F)(F)F)ccn1 1306959954 LCHXMEQEFQZPHR-UHFFFAOYSA-N 294.232 3.687 30 20 CHED COCCN(CCCC(C)(C)C)Cc1ccc(C#N)cc1 1167315647 XZZJRCKKVNPFKA-UHFFFAOYSA-N 288.435 3.833 30 20 CHED CCOc1ccc(C[C@@H](C)CNc2ccc(C#N)cn2)cc1 1163449837 HBQSFVWDTMWSJA-CQSZACIVSA-N 295.386 3.643 30 20 CHED Cc1cccc(SCC(=O)[C@H](C#N)c2ccccc2)c1 1307297109 NHCUZSVFDBJXQT-MRXNPFEDSA-N 281.380 3.964 30 20 CHED Cc1cc(OCc2cc(F)ccc2F)ccc1C#N 1652810116 VBXFEUNJKDDSKE-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC(C)C[C@H](C)OCCc1nnc(-c2ccc(C#N)cc2)o1 1326237344 DWYQEHAJUKRJHH-ZDUSSCGKSA-N 299.374 3.602 30 20 CHED CC(C)CCO[C@@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1322509261 DBCIJCRNAHNXIL-LBPRGKRZSA-N 285.347 3.732 30 20 CHED CC[C@H](NCCCc1nc(C)cs1)c1ccc(C#N)cc1 1256025524 IHYUFCPBFWOUGY-INIZCTEOSA-N 299.443 3.997 30 20 CHED CCc1ccsc1-c1nnc(-c2ccc(C#N)cc2)o1 1322257556 VAROWCLDXDWWMI-UHFFFAOYSA-N 281.340 3.899 30 20 CHED COC[C@H](Nc1ccc(C#N)cc1F)c1ccc(F)cc1 1337666571 BDSFGHAHZAOMHK-INIZCTEOSA-N 288.297 3.636 30 20 CHED C/C(=C\C(C)(C)C)c1nnc(COc2ccccc2C#N)o1 1333091616 RHDGLCRWEMVMLT-FMIVXFBMSA-N 297.358 3.970 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)Nc1cnc(Cl)cc1C#N 1337566444 BXVYIQXQOZHUJV-LLVKDONJSA-N 291.782 3.762 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1OCC1CC1 1262734460 XNOJZQMKIVICRF-UHFFFAOYSA-N 259.349 3.770 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CC[C@@H](C)C[C@@H](C)C1 1343523883 RPQYUWGFTRJTQU-VXGBXAGGSA-N 298.381 3.664 30 20 CHED C=CC(C)(C)c1nnc(CSc2ccccc2OC)o1 1346673979 RMRRMXJKTZYLRW-UHFFFAOYSA-N 290.388 3.834 30 20 CHED C=C[C@@H](COC)N[C@H]1CCCc2c(Cl)cccc21 1342731833 HTELMBPBCVTRIC-NHYWBVRUSA-N 265.784 3.508 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)O[C@H](C#N)C(C)(C)C 1343174568 NDRJNZMSIKWIIW-TZMCWYRMSA-N 259.349 3.580 30 20 CHED COc1cc(F)cc(NC2CCC(C)(C#N)CC2)c1 1347782989 WZEGULNYHMAVSD-UHFFFAOYSA-N 262.328 3.719 30 20 CHED Cc1sccc1C(=O)N(C)c1cc(Cl)ccc1C#N 1355285414 VYWPXLKFSZMOQN-UHFFFAOYSA-N 290.775 3.858 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1438134883 HLJSPKMNZYOWPK-QWHCGFSZSA-N 296.374 3.589 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)NC[C@H](C)C#N 1444196254 INFUQJJIHIVKSA-CYBMUJFWSA-N 278.355 3.552 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H]1CCC 1515397717 HBESGEYFLQYNJI-CQSZACIVSA-N 274.412 3.501 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1cccc(C#N)c1C 1457712871 IJCOWSZVDXQQDU-AWEZNQCLSA-N 278.355 3.917 30 20 CHED CC[C@](C)(NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1456451765 ITTZXJDXUMOEOO-SFHVURJKSA-N 296.345 3.753 30 20 CHED Cc1ccc(C(=O)N2CCCc3cc(C#N)ccc32)cc1F 1526493409 BPTVHHMCISTJRZ-UHFFFAOYSA-N 294.329 3.599 30 20 CHED Cc1cccc(CN(C)Cc2cccc(C#N)c2F)c1 223524247 NBGXWNFZACGOCN-UHFFFAOYSA-N 268.335 3.638 30 20 CHED Cc1cc(C)c(/C=C\CN2CCC[C@@H](C#N)C2)c(C)c1 1462574607 XNCIZQZTJVFQBS-WVRJYTFGSA-N 268.404 3.861 30 20 CHED C[C@@H]1C[C@@H](OC(=O)Cc2ccc(C#N)cc2)CC(C)(C)C1 1534155034 VJHUQZPPMCKHEW-CZUORRHYSA-N 285.387 3.859 30 20 CHED CCc1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)s1 225330731 BDIPLEFSFSYOFU-UHFFFAOYSA-N 287.344 3.702 30 20 CHED N#Cc1c(F)cccc1CNCc1coc2ccccc12 1462271602 DZOYNJQYEBTUKD-UHFFFAOYSA-N 280.302 3.733 30 20 CHED Cc1cccc2[nH]c(CN(C)Cc3cccc(C#N)c3)cc12 1462020945 ROYIOKKOBBOQQJ-UHFFFAOYSA-N 289.382 3.980 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1 1476707782 PYKAZKCNXJFBSQ-WCQYABFASA-N 289.354 3.788 30 20 CHED Cc1cc(N2CC[C@@H](C(C)(C)C)C[C@@H]2C)ncc1C#N 1559203414 RWYHRMHXSLHACA-DZGCQCFKSA-N 271.408 3.913 30 20 CHED Cc1nnc(Sc2ccc3c(c2)CCCC3)c(C#N)c1C 1640047073 JARCSKXKBQHVED-UHFFFAOYSA-N 295.411 3.995 30 20 CHED CC1CC(COc2nc3c(cc2C#N)CCCCC3)C1 1652164690 AQULEOYXHXRPNV-UHFFFAOYSA-N 270.376 3.647 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(C#N)c(C)n2)C1(CC)CC 1650800945 CYQHCDARIOJIAX-CABCVRRESA-N 287.407 3.657 30 20 CHED N#Cc1ncccc1SCc1sccc1Cl 1651984308 SIMGBLBTDOHFKR-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C=CC[C@H](C(=O)O)N1CCC(c2cc(C)cc(C)c2)CC1 1588727954 ALHFWJQEEKSESN-QGZVFWFLSA-N 287.403 3.512 30 20 CHED N#CCOc1cccc(NC2CCc3ccccc3CC2)c1 1659392706 FEIHLJOSYPGIBK-UHFFFAOYSA-N 292.382 3.948 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2csc(C#N)c2)C1 1583278536 PJKXZZVZVLIIRC-NSHDSACASA-N 263.362 3.745 30 20 CHED CCc1ccc(NC(=O)c2cccc(SCC#N)c2)nc1 1596286449 SCZUWLXQOHFKGG-UHFFFAOYSA-N 297.383 3.512 30 20 CHED CC(C)Oc1ccccc1C(=O)Nc1cc(C#N)ccc1F 1596936063 BOXNPTNTKSGMJJ-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CC1(C)CC(=NNc2ccc(C(=O)O)cc2)CC1(C)C 1776014102 GQIYPBPFXUAESQ-UHFFFAOYSA-N 274.364 3.999 30 20 CHED C=C(C)CNC(=O)c1ccc(-c2ccccc2)cc1 161012867 HOXUCZQBWCWQSM-UHFFFAOYSA-N 251.329 3.660 30 20 CHED N#Cc1cccc(-c2csc(NC(=O)C3CC=CC3)n2)c1 161107893 ZTEZPUNVHKAJQB-UHFFFAOYSA-N 295.367 3.586 30 20 CHED C=CCN(C)C(=O)c1ccc(-c2ccc(CC)cc2)o1 161629004 DWOADPPKDWTGCU-UHFFFAOYSA-N 269.344 3.767 30 20 CHED CCCCCCCCC(=O)N(C)[C@@H]1CCSC1 162711726 PGYWZBBNIOWZRJ-CYBMUJFWSA-N 257.443 3.701 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 162728006 LYUFSDOYMZXKNL-AWEZNQCLSA-N 278.371 3.740 30 20 CHED Cc1ccc(C(=O)CCN(C)Cc2ccc(C#N)cc2)cc1 158443058 WTQDZEOUWBXEKS-UHFFFAOYSA-N 292.382 3.572 30 20 CHED COC(=O)c1cccc(/C=C2/CCc3ccccc3C2=O)c1 200242386 QDVQAZOPMKAXRK-PTNGSMBKSA-N 292.334 3.686 30 20 CHED C=CCC[C@@H](NC(=O)Nc1cc(C)nn1C)c1ccccc1 153292395 FYBWLBAKMQFKFV-OAHLLOKOSA-N 298.390 3.558 30 20 CHED N#CCC[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1 153463589 LMPQFUXGEFTALF-CVEARBPZSA-N 268.360 3.504 30 20 CHED CCCC(C)(C)NC(=O)c1ccc(C#N)c(Cl)c1 155646849 XXEYROZGVUERIC-UHFFFAOYSA-N 264.756 3.520 30 20 CHED CCCC1(CNC(=O)CCc2ccc(C#N)cc2)CCC1 157394419 WEEDJUZJMHQDGZ-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CN(C(=O)CCC1CCC1)c1cc(Cl)ccc1C#N 156873460 ZUMICZVIXZBWCC-UHFFFAOYSA-N 276.767 3.755 30 20 CHED C#CCCCCNC(=O)N[C@H](CC)c1ccc(C)cc1 159196558 TXILNLZWBXWWID-MRXNPFEDSA-N 272.392 3.549 30 20 CHED COc1cccc(Cl)c1CNc1nc(C)ccc1C#N 234956974 NUMKBLJGZWFFNC-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)c1 843543541 ONNBPHPACYXCAL-MRXNPFEDSA-N 267.372 3.767 30 20 CHED Cc1ccc(C#N)c(Nc2ccc3ncsc3c2)n1 235983671 PXZMKUMJWSWKQZ-UHFFFAOYSA-N 266.329 3.615 30 20 CHED CCOc1ccc(NCc2ccc(C#N)s2)cc1OC 135694093 CDLJVPJVYBGMAY-UHFFFAOYSA-N 288.372 3.639 30 20 CHED Cc1nc([C@@H](C)Nc2ccc(OCC#N)cc2)c(C)s1 20126611 SOZUASLGRROZSR-SNVBAGLBSA-N 287.388 3.835 30 20 CHED C[C@H](c1cccs1)N(C)Cc1cc(C#N)ccc1F 42316508 QFEMNSVTPGUIFL-LLVKDONJSA-N 274.364 3.952 30 20 CHED N#Cc1ccc(NCC(F)(F)F)cc1C(F)(F)F 36805583 YAWAZFSEGWXUAI-UHFFFAOYSA-N 268.160 3.551 30 20 CHED N#CC1(NC(=O)CCC2CCCCC2)CCCCC1 40215362 WSVBARWSEPESOL-UHFFFAOYSA-N 262.397 3.690 30 20 CHED Cc1cc(F)ccc1CNc1ccc(OCC#N)cc1 50569177 ARFQRVOISJYDIS-UHFFFAOYSA-N 270.307 3.649 30 20 CHED C[C@H](C#N)CNCc1cccc(Oc2ccccc2)c1 54179223 AUHBAAAQIBHPEU-CQSZACIVSA-N 266.344 3.728 30 20 CHED CCC1CCC(NCCc2cccc(C#N)c2)CC1 466408684 GYSHNHDDLXBFLV-UHFFFAOYSA-N 256.393 3.659 30 20 CHED C[C@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1F 55386701 OIRYOENQDIIZPV-BLLLJJGKSA-N 260.356 3.708 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 182645773 ABLZGDHNUZIPSZ-JTQLQIEISA-N 267.756 3.520 30 20 CHED C=CCC1(NCc2cn(C(C)C)nc2C)CCCC1 657703089 SMTDEHFGXPDTAD-UHFFFAOYSA-N 261.413 3.751 30 20 CHED N#Cc1cccc(CN2CC[C@@H]3CCCC[C@H]3C2)c1F 300240588 RDICNTOWNWYXOW-ZFWWWQNUSA-N 272.367 3.709 30 20 CHED C=C(C)CN(CC)Cc1ncc(-c2ccc(F)cc2)o1 72801670 OMPWQUTUOIUGMH-UHFFFAOYSA-N 274.339 3.879 30 20 CHED C[C@H](NCCCC#N)c1ccc(Br)c(F)c1 336736315 IRHHYYQHSMBYNU-VIFPVBQESA-N 285.160 3.543 30 20 CHED N#Cc1ccc(CNCc2ccccc2Cl)cc1F 358307107 JXMFUWALKHAXTN-UHFFFAOYSA-N 274.726 3.641 30 20 CHED N#Cc1ccc(CNCC[C@@H]2C[C@H]3CC[C@H]2C3)s1 394218220 REIPVUCRUNEJDW-RWMBFGLXSA-N 260.406 3.536 30 20 CHED N#CCOc1ccc(N[C@H]2CCCC23CCC3)cc1 394742217 SBSVRHOGFJIHPR-HNNXBMFYSA-N 256.349 3.724 30 20 CHED Brc1ccc(C=NNCc2ccccc2)s1 916343680 ALRGEKJEQYGFLZ-UHFFFAOYSA-N 295.205 3.634 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(Cl)c(Br)c1 775182513 AXTVOGWHKNCKCR-VIFPVBQESA-N 286.600 3.556 30 20 CHED CC(C)CCN(CCCSCC#N)C1CCCC1 466740917 JHEQDNUYJYRMQE-UHFFFAOYSA-N 268.470 3.924 30 20 CHED N#Cc1ccc(F)c(CNc2ccc(Cl)cc2)c1 20051207 FOGYFDBTQXVMBG-UHFFFAOYSA-N 260.699 3.963 30 20 CHED COCCOc1cccc(/C=C2\Cc3ccccc3C2=O)c1 53091153 KSEOCBCGVXDXKW-LFIBNONCSA-N 294.350 3.534 30 20 CHED N#Cc1cc2c(nc1SC1CCCC1)CCCC2 59798853 YLKKFTZLVOWVGZ-UHFFFAOYSA-N 258.390 3.867 30 20 CHED C=CCC[C@H](NCCCn1cnc2ccccc21)C1CC1 119910918 IXCHXEJGWGWDFN-INIZCTEOSA-N 283.419 3.761 30 20 CHED C#CCCOc1ccc(CN[C@@H]2CCCc3occc32)cc1 113320841 ZCLCVTNPIQTOQW-GOSISDBHSA-N 295.382 3.849 30 20 CHED C=CCCC(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C 110518630 FPVYAMAFUXIVBV-SWLSCSKDSA-N 293.794 3.595 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)CSc1ccc(F)cc1 118941892 ARADZVBKPDIFOP-NEPJUHHUSA-N 281.396 3.635 30 20 CHED Cc1cccn2c(/C=C3/Cc4cc(F)ccc4C3=O)cnc12 172692137 YRBKPQVFOAOHMD-LCYFTJDESA-N 292.313 3.604 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(Cl)cc1 116933919 SAMBTCMLKKFNGX-GHMZBOCLSA-N 266.772 3.665 30 20 CHED Cc1cc(F)cc2c(N3CC[C@@H](C)[C@@H]3C)c(C#N)cnc12 301492897 PTMXYDIYVXVPTP-PWSUYJOCSA-N 283.350 3.789 30 20 CHED C=CCOCCN[C@H](C)c1cccc(Cl)c1Cl 305505593 YXXYJKMWHORARJ-SNVBAGLBSA-N 274.191 3.847 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(Cl)ccn2)c1 65749360 FMMHICRFRLIPAY-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C=CCN1CCC(NC(=O)[C@@H](CCCCC)C(C)C)CC1 176301439 NBZWDXYNRDBRHK-KRWDZBQOSA-N 294.483 3.606 30 20 CHED CC(C)[C@H]1OCCC[C@@H]1CNc1ccc(C#N)cc1F 301599661 UMTVRXBLPSPDEZ-CZUORRHYSA-N 276.355 3.560 30 20 CHED C=CCN(C(=O)COc1ccc(C)c(C)c1)c1ccccc1 61268375 HJBKWGVRNKBPDI-UHFFFAOYSA-N 295.382 3.901 30 20 CHED C[C@H](NCC#N)c1ccc(Oc2ccccc2)c(F)c1 179962316 BUKUPKAEZYQSHB-LBPRGKRZSA-N 270.307 3.792 30 20 CHED C#CCCCNC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 179460897 YBFSVNMWJDEVFO-UHFFFAOYSA-N 296.414 3.516 30 20 CHED C=CCCCOc1ccccc1C(=O)NC1CCCC1 303779179 CRKQRHXRDJYLEI-UHFFFAOYSA-N 273.376 3.704 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccc(Cl)c(C)c1 125047397 WASFDGMYFCWFRG-NSHDSACASA-N 268.740 3.535 30 20 CHED C=C(C)CN(C)C(=O)c1cccc(-c2nc(C)cs2)c1 180399418 MZIYMGMBWJXACK-UHFFFAOYSA-N 286.400 3.767 30 20 CHED CC[C@H](Cc1ccccc1)N[C@H]1CCC[C@H](C#N)C1 185811717 VBNWAMFUTVIBDB-BBWFWOEESA-N 256.393 3.680 30 20 CHED C[C@@H](CN(CCC#N)CCC#N)c1cccc(Cl)c1 188219156 UWYZQQOHBRUBIX-ZDUSSCGKSA-N 275.783 3.573 30 20 CHED N#Cc1ccc(Cl)cc1N1C[C@H]2CCC[C@@H](C2)C1 302297971 HAZPAYXNPBCPIQ-RYUDHWBXSA-N 260.768 3.838 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1cc(F)cc(F)c1 126518848 AXSGUJKEIXWQRD-SNAWJCMRSA-N 290.313 3.882 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc(F)c(C)c2)no1 188021893 KYTUYWYHWHVJFP-INIZCTEOSA-N 290.338 3.664 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1C[C@@]1(C)C(C)C 186856585 KIYPTVNVAHWBBZ-ZFWWWQNUSA-N 264.413 3.647 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc(F)c(F)c2)cn1 214918598 GINHYTOZKBSQFY-XQRVVYSFSA-N 276.286 3.638 30 20 CHED CCOCCSCc1ccccc1C(C)(C)C#N 121379734 UGCCWUSHLKXSBY-UHFFFAOYSA-N 263.406 3.757 30 20 CHED COc1cc(C#N)ccc1CN[C@H](C)[C@H](C)c1ccccc1 183340060 GBONVQQGSLRXBQ-LSDHHAIUSA-N 294.398 3.849 30 20 CHED C=CCC[C@@H](NC1CCC(COC)CC1)C1CC1 414317033 VGELGICSUVNJLL-AVVWSFFYSA-N 251.414 3.526 30 20 CHED COc1cccc2c(NCC3(C#N)CCC3)c(C)cnc12 419025991 SVOLYKAGWQITPX-UHFFFAOYSA-N 281.359 3.658 30 20 CHED COc1ccc(C#N)cc1NCCCc1ccccc1 484767531 JZKDWPMEPUQORZ-UHFFFAOYSA-N 266.344 3.612 30 20 CHED C/C=C(\CC)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 188484992 NKVOTTSDBLFDNH-LAFZPEOGSA-N 270.376 3.824 30 20 CHED CC(C)C[C@H]1CCCCCN1C(=O)c1cccc(C#N)c1 129643109 NKAFPVHWBRRMTJ-QGZVFWFLSA-N 284.403 3.989 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnc(-c2ccccc2)nc1 123129085 KZMHGLZWBTWNIY-UHFFFAOYSA-N 293.370 3.851 30 20 CHED C=C(C)CN(Cc1cccc(Br)c1)C1CC1 520848573 FZRBMISREWTQDV-UHFFFAOYSA-N 280.209 3.990 30 20 CHED C#C[C@H](C)NC(=O)CCCc1cc(Cl)sc1Cl 186023121 CWRCACMNDIEUIT-QMMMGPOBSA-N 290.215 3.516 30 20 CHED N#Cc1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1F 76826777 YLKKWBCUYUSFKY-UHFFFAOYSA-N 294.329 3.758 30 20 CHED CCc1ccc(CN(C)Cc2ccccc2C#N)cc1 603823838 RIFYQNVOUGALSP-UHFFFAOYSA-N 264.372 3.753 30 20 CHED N#CCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 185229016 JCYZYCOJUGTJCE-OAHLLOKOSA-N 276.767 3.601 30 20 CHED Cc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1Cl 185898860 QPSDOEIWDAIFPE-GXTWGEPZSA-N 262.784 3.820 30 20 CHED N#CC1(CN2CCCCC[C@@H]2c2ccccc2)CC1 501536945 AIKYVXYBWUROPS-MRXNPFEDSA-N 254.377 3.907 30 20 CHED C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)CC(F)(F)F 414264753 KZYRSKXTDPFDAI-QMTHXVAHSA-N 282.309 3.724 30 20 CHED C=CCC[C@H](C)NCCSCc1ccccc1C#N 185170050 ASVBCRWPJJMCNA-AWEZNQCLSA-N 274.433 3.736 30 20 CHED C=CCC1(C(=O)Nc2cccc(OC(F)F)c2)CCC1 188773943 XERJZNOMAGZQAD-UHFFFAOYSA-N 281.302 3.973 30 20 CHED CCc1ccc2occ(C(=O)NC3(C#N)CCCCC3)c2c1 509491784 ITLHNYCSTHJFCN-UHFFFAOYSA-N 296.370 3.951 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 127170567 PKNXFODCIDAXFV-KWBADKCTSA-N 296.773 3.599 30 20 CHED C[C@@H](CCC1CC1)Nc1ccccc1O[C@@H](C)C#N 186497535 VKPHJKDFRAXPGI-STQMWFEESA-N 258.365 3.968 30 20 CHED C=CCn1c(SC2CCCC2)nc2ccccc2c1=O 508526891 KODHPJAAJUESGX-UHFFFAOYSA-N 286.400 3.617 30 20 CHED COc1ccc(Cl)c(CN2CCCC(C)(C)[C@@H]2C#N)c1 444714658 AWROBXGRELKESA-HNNXBMFYSA-N 292.810 3.863 30 20 CHED N#CCCSCCCOc1cccc(Cl)c1 413011723 JPMONRKNLFJQTA-UHFFFAOYSA-N 255.770 3.756 30 20 CHED N#CC1(CCN2CC[C@H](C3CCOCC3)C2)CCCCC1 411406619 JSHKBQRAMHTQMQ-KRWDZBQOSA-N 290.451 3.599 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1 78560784 IFEKVYDOYBJHNG-CMDGGOBGSA-N 269.250 3.733 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl 186111773 AUJJKFWAEZIVRB-FZMZJTMJSA-N 276.767 3.623 30 20 CHED C#CCCCNC(=O)N[C@H](CC1CCC1)c1ccccc1 181272656 XBGCYWNQKIOALQ-QGZVFWFLSA-N 284.403 3.631 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 410836490 RVBIGKOZYKRYAU-ZIAGYGMSSA-N 297.402 3.812 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@H]1CCC[C@@H]1C 411063578 LQJONMPKXXZTPS-SMDDNHRTSA-N 284.359 3.526 30 20 CHED CCN(CC#N)[C@@H]1CCCc2ccc(Br)cc21 411210388 DXDHONNDMWSORR-CQSZACIVSA-N 293.208 3.672 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H](c3ccccc3F)C2)n1 501253232 VGWMGGQWEYRYGZ-AWEZNQCLSA-N 295.361 3.703 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cccc3[nH]ccc23)CCC1=O 328936584 FYYLVTVMXXZOQF-MNOVXSKESA-N 270.332 3.761 30 20 CHED Cc1csc(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)c1C#N 329306813 BHIMLXYXRYAYGI-PSASIEDQSA-N 276.361 3.522 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cccc(O)c2)c1 49418287 KJEJXCYVLMGSIC-MDZDMXLPSA-N 268.312 3.687 30 20 CHED CCCCCCCCC(=O)OCc1cnc(C)cn1 195418675 CBDCDZTVEAJRJQ-UHFFFAOYSA-N 264.369 3.579 30 20 CHED CC(=O)Nc1ccc(C)c(NCCCC(C)(C)C#N)c1 133679855 KLZAFAXHNPNDLO-UHFFFAOYSA-N 273.380 3.695 30 20 CHED CC1(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CCCC1 132832624 RLRMCFVFGCGIFH-INIZCTEOSA-N 299.418 3.911 30 20 CHED C#CCCCC(=O)N(C)CC(C)(C)c1ccc(C)cc1 192140980 UOSMDBJJYWUVJL-UHFFFAOYSA-N 271.404 3.535 30 20 CHED O=C1/C(=C\c2cccc(Cl)c2)COc2ccccc21 83308421 LFDFZOZXPJDQMU-WQLSENKSSA-N 270.715 3.999 30 20 CHED CCO[C@H](CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 193522515 IDOSBSNFUCSNAF-DNVCBOLYSA-N 294.398 3.987 30 20 CHED CCN(Cc1ccccc1Oc1cccnc1)C[C@H](C)C#N 130009322 HRPHJGGTQXKJJX-OAHLLOKOSA-N 295.386 3.855 30 20 CHED Cc1cccnc1N/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329798792 GWRFFUGHYDYSNU-BFHYXJOUSA-N 273.380 3.685 30 20 CHED Cc1cc(O)ccc1NC(=O)Nc1cccc(C#N)c1C 190114314 WYHQOZNCTAOAGP-UHFFFAOYSA-N 281.315 3.525 30 20 CHED CC(C)CC1(C/N=C(/O)[C@H]2CCCC(O)=N2)CCC1 328839206 YOJGDGYKQKITIR-GFCCVEGCSA-N 266.385 3.668 30 20 CHED CC(C)(C)c1cnc(C/N=C(/O)[C@H]2CCCSC2)o1 329596200 VQOXCNDNTBYFBV-JTQLQIEISA-N 282.409 3.572 30 20 CHED CCOc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)n1 425364081 DWAUSHUORGUKTO-CQSZACIVSA-N 295.386 3.545 30 20 CHED C=C(Cl)CSc1nnc(-c2ccccc2)o1 47820638 ZSXXTQAVCUZCEU-UHFFFAOYSA-N 252.726 3.581 30 20 CHED Cc1cc(C)c(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)c(C)n1 328922006 UEZAISKCRVCAPY-NOZJJQNGSA-N 274.364 3.600 30 20 CHED CN(CCC1CC1)Cc1ccccc1C(C)(C)C#N 135286627 BHWLJIXXSZJTTB-UHFFFAOYSA-N 256.393 3.720 30 20 CHED Cc1nnc(CS[C@H](C)/C(O)=N/C2CCCCC2)s1 329178761 NQEUKTPWLHFSPN-SECBINFHSA-N 299.465 3.757 30 20 CHED CC[C@@H]1c2ccsc2CCN1C(=O)[C@](C)(C#N)CC 288570809 KGAJSQUHSARAAY-DOMZBBRYSA-N 276.405 3.524 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)c(C)o1 135783132 HDFDNLKSWLZKNL-UHFFFAOYSA-N 299.370 3.733 30 20 CHED C[C@H](/N=C(/O)c1coc(C2CCCC2)n1)c1ccccn1 329925146 JNSTWPKWXSOTRR-NSHDSACASA-N 285.347 3.793 30 20 CHED COc1cc(C(C)=O)ccc1SCC(C)(C)CC#N 517177345 OFEJTIYALQBQMZ-UHFFFAOYSA-N 277.389 3.930 30 20 CHED N#CC1(c2ccccc2)CC(NCc2cccc(F)c2)C1 86036600 QHIZRPMJYZZTRA-UHFFFAOYSA-N 280.346 3.539 30 20 CHED C[C@@H](NC[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 192907087 TTXLIKHOZHWUPB-DNVCBOLYSA-N 293.414 3.512 30 20 CHED C[C@H](C#N)CNC(=O)c1c(Cl)cc(Cl)cc1Cl 336246628 XUIIUAPYLYWDKH-ZCFIWIBFSA-N 291.565 3.536 30 20 CHED C#CCCCC(=O)NCC(C)(C)c1cccc(Cl)c1 192240559 BPBFZLILYLYOOX-UHFFFAOYSA-N 277.795 3.537 30 20 CHED C[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@H](C)S1 613425590 CQTWSEQGUHTLGP-RYUDHWBXSA-N 289.448 3.581 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)c(C#N)c1)C1CCCC1 339954902 RNPNKMBEARSDSD-UHFFFAOYSA-N 281.359 3.585 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(C#N)c(C#N)c2)c(C)c1 90601492 JEAORLZPJRXLFN-UHFFFAOYSA-N 289.338 3.608 30 20 CHED Cc1ccccc1C(C)(C)CNCc1cccc(C#N)c1 237685709 LUDOSGYVVXPOCG-UHFFFAOYSA-N 278.399 3.934 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 336615882 LRSIAGQRFFMQPB-LRDDRELGSA-N 266.344 3.879 30 20 CHED C[C@H](CNCc1cc(C#N)cs1)c1ccccc1 93492106 CSECMFHCCKEKLB-GFCCVEGCSA-N 256.374 3.513 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1nccs1 335720472 ZCOMCZIUAJCRDM-HNNXBMFYSA-N 283.400 3.572 30 20 CHED C[C@@H]1CCC[C@H]1/N=C(/O)c1cccc(SCC#N)c1 330388703 NJPXRXBFVNASQV-BXUZGUMPSA-N 274.389 3.795 30 20 CHED C[C@H]1CCC[C@@H](CC(O)=Nc2nc3cccnc3[nH]2)C1 330270171 SZAKSOSAPVYVLH-WDEREUQCSA-N 272.352 3.762 30 20 CHED CCC(=O)c1ccc(OCC#Cc2ccc(F)cc2)cc1 433372203 DGMYEPLDYOGHLL-UHFFFAOYSA-N 282.314 3.849 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(F)cc2Cl)ccc1F 335939936 RNNKQMFOISKJEF-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCc2c(Cl)cccc21 98033784 AJPJMKOXYBQAJR-OAHLLOKOSA-N 290.794 3.711 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 438283676 OKACWBVYKLQCKT-GOSISDBHSA-N 298.386 3.849 30 20 CHED COc1ccc(C#N)cc1NCCSCc1ccccc1 430754781 NLRSSQGJTRAXHJ-UHFFFAOYSA-N 298.411 3.912 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H]1CCc2ccccc21 609651436 CADSYQNUKGESQB-MRXNPFEDSA-N 290.366 3.925 30 20 CHED COCc1cccc(-c2noc(CCCCCC#N)n2)c1 349998662 DLPQBJJSVGPGEY-UHFFFAOYSA-N 285.347 3.509 30 20 CHED N#Cc1ccccc1S[C@@H]1CCO[C@@H](c2cccnc2)C1 600524113 COBKYOAYANMSQT-HZPDHXFCSA-N 296.395 3.966 30 20 CHED C[C@H]1CN(CC#Cc2ccc(F)cc2)[C@H]1c1ccccc1 437574241 AVZQFKPUSSWEDS-HNAYVOBHSA-N 279.358 3.870 30 20 CHED Cc1cc(CNC2(c3cccc(C#N)c3)CC2)ccc1C#N 341215508 TWXSQLVPVNSZHF-UHFFFAOYSA-N 287.366 3.517 30 20 CHED C[C@H](N[C@H]1CCCc2ncccc21)c1ccc(C#N)cc1 601264856 ILAOKXGJUOHHTF-UGSOOPFHSA-N 277.371 3.681 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1nc(C(F)(F)F)cs1 602485679 ZAYVYTKVXADUOW-VIFPVBQESA-N 291.342 3.534 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nnc(C2CCC2)n1C 349815148 XGEKRBPESCLRLE-UHFFFAOYSA-N 296.418 3.665 30 20 CHED C=CCCc1noc([C@H]2Cc3c(Cl)cccc32)n1 528209950 YNJPPUIFHBUIFD-NSHDSACASA-N 260.724 3.530 30 20 CHED N#CCOc1ccc(CNC/C=C\c2ccc(F)cc2)cc1 255658452 OEFJBEBUVMEXHT-UPHRSURJSA-N 296.345 3.531 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1c(C)cccc1C 523388106 WJVAJHSHYRTVRX-UHFFFAOYSA-N 291.460 3.961 30 20 CHED C=CCC[C@H](NCCc1ccc(F)c(F)c1)C1CC1 527291356 RZADQAJMBSUOSO-INIZCTEOSA-N 265.347 3.842 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C#N)ccc1Cl 349203826 VBKFRMMOQYRUJC-NHYWBVRUSA-N 290.794 3.862 30 20 CHED CCc1cccc2c(CCN[C@H]3CC[C@@H](C#N)C3)c[nH]c12 442774542 ANXSPZJVQCIHRI-CJNGLKHVSA-N 281.403 3.555 30 20 CHED CC(C)(C)Oc1ccccc1N[C@H]1CC[C@H](C#N)C1 442851474 DYIIXLPJOLTZPC-STQMWFEESA-N 258.365 3.968 30 20 CHED COCCN(C[C@@H](C)CCC#N)[C@@H](C)c1ccccc1 602443600 GHALKWLJALAUQC-HOTGVXAUSA-N 274.408 3.636 30 20 CHED C[C@@H]1C[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)CCO1 356799455 TXXUCSYEPHWOER-PWSUYJOCSA-N 298.308 3.804 30 20 CHED COc1cc(C#N)cc(Cl)c1OCCC(F)(F)F 354318475 RSSIZEOSHHCIKF-UHFFFAOYSA-N 279.645 3.551 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(CCC#N)CC(C)(C)C)C1 355511516 PBGQQCOQDSCAQG-FICVDOATSA-N 278.440 3.847 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC[C@@H](C)CC 352639655 LWECFUJWHPJLPI-AWEZNQCLSA-N 266.429 3.991 30 20 CHED CCCN(Cc1ccccc1F)c1ccc(C#N)cn1 604492322 PMJUCYBURVSKAV-UHFFFAOYSA-N 269.323 3.509 30 20 CHED C=CCCCCCOc1c(OC)cccc1OC 447319731 ZEVGODMBYSEIJS-UHFFFAOYSA-N 250.338 3.829 30 20 CHED C=CCC[C@H](NCc1cn2ccccc2n1)c1ccco1 353447976 MXNCAGOAGXTODN-HNNXBMFYSA-N 281.359 3.724 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 355390590 WYAUNDMMGVBSSW-ZWNOBZJWSA-N 297.383 3.666 30 20 CHED CCC1(CC)[C@H](NCCCCC(C)(C)C#N)C[C@H]1OC 444697469 KNWSXSLFGAVPGM-HUUCEWRRSA-N 280.456 3.890 30 20 CHED C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC#N 355949866 MNLXPRUKAMMFJW-HNNXBMFYSA-N 278.355 3.690 30 20 CHED CCOc1ccc(CN(C)CC#Cc2ccc(F)cc2)cc1 448447354 KFBNUZJQGMYZSV-UHFFFAOYSA-N 297.373 3.708 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(CC#N)ccn1 531924868 GLBNLBFLGIPONE-AWEZNQCLSA-N 293.370 3.588 30 20 CHED CC(C)N(CCCCC#N)Cc1ccc(N(C)C)cc1 263917385 CKVYSQXWJJRRAN-UHFFFAOYSA-N 273.424 3.657 30 20 CHED CCCC[C@H](C)C(=O)Nc1sc(CC)cc1C#N 443418128 RSTDUKBEFBDWTM-JTQLQIEISA-N 264.394 3.947 30 20 CHED N#Cc1csc(CN2CCC[C@H]3CCCC[C@@H]32)c1 353843617 IZCXBLOEOSLDGV-HIFRSBDPSA-N 260.406 3.774 30 20 CHED CC[C@@H]1C[C@H](C)CN1c1ccc(C(F)(F)F)c(C#N)n1 443512341 VVLZXQMOSTYQCY-VHSXEESVSA-N 283.297 3.597 30 20 CHED CCc1cc(C#N)ccc1OCc1sc(C)nc1C 442109537 BWFYFSKSRJGHLA-UHFFFAOYSA-N 272.373 3.773 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1cccnc1 352954476 SGHWDYRUVXRVDN-MRXNPFEDSA-N 298.434 3.998 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Cc2cccc3ccccc23)C1 612246098 WDJNWHVTFWOELB-LJQANCHMSA-N 292.382 3.535 30 20 CHED N#Cc1cc2c(nc1NCc1cc3ccccc3[nH]1)CCC2 350062907 CXELBPBNUCUEAZ-UHFFFAOYSA-N 288.354 3.535 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCO[C@H](c2ccccc2)C1 265590751 ZPWRXOOFCZUPPU-BEFAXECRSA-N 292.382 3.693 30 20 CHED C=CCC[C@H](NC[C@H]1CCCO[C@H]1C(C)C)C1CC1 539119232 FUGFQLXJKVNCEK-IKGGRYGDSA-N 265.441 3.772 30 20 CHED C[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 610519054 UNCPPZPAHVNVIP-LBPRGKRZSA-N 298.773 3.632 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2cccc(CC#N)c2)C1 456761174 XTPLNOXEHJFCPT-NHAGDIPZSA-N 270.376 3.763 30 20 CHED COCC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCCC1 453394171 VYVFGJXMFIEQDJ-CYBMUJFWSA-N 290.382 3.555 30 20 CHED C=CCCCC(=O)NCc1ccccc1C(F)(F)F 267038591 CEIIOWHPQXAKTR-UHFFFAOYSA-N 271.282 3.678 30 20 CHED Cc1ccc(O[C@@H](C)CNCc2ccc(C#N)cc2F)cc1 533309060 VGKRYRHBOGWDGF-AWEZNQCLSA-N 298.361 3.563 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(CSCC)cc1 456469805 JBMXUABNWPBHCQ-ZDUSSCGKSA-N 293.432 3.859 30 20 CHED C=CCCCC(=O)Nc1cccc(-c2ncc(C)o2)c1 365824350 KMMLFXMMNPRBAO-UHFFFAOYSA-N 270.332 3.945 30 20 CHED C=C[C@H](C)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 455963464 ZHWJDQVYWDAWKY-VHSXEESVSA-N 271.282 3.657 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1cc(C#N)[nH]c1C 450076736 RFRRFBNXZQAPQP-CYBMUJFWSA-N 275.396 3.531 30 20 CHED CC(C)(CCC#N)CNC(=O)NCC(C)(C)C1=CCCC1 454969653 XJYJVGKYMIZNQG-UHFFFAOYSA-N 291.439 3.752 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1Cc2ccccc21 611391913 DXQDOXOMHUULMU-PXNSSMCTSA-N 288.394 3.865 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(N2CCCC2)c1 454620101 OXNVRJHSYJIPTC-UHFFFAOYSA-N 287.407 3.621 30 20 CHED C=CCCCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 451313927 WIAYVAZCJGDLBJ-AWEZNQCLSA-N 287.325 3.685 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1ccccc1OC 455303871 BCACFFXMEDAOHT-OAHLLOKOSA-N 288.391 3.508 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccccn1 540572032 OOMLLXDIZKYEIR-ZBFHGGJFSA-N 287.407 3.673 30 20 CHED CN(Cc1ccc(N(C)CCC#N)cc1)Cc1cccs1 271006593 NTNYKCIGQRZTAS-UHFFFAOYSA-N 299.443 3.730 30 20 CHED CC(C)CC[C@@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 540468581 ZSRMXRYLNSKLRW-LLVKDONJSA-N 278.783 3.766 30 20 CHED C=CCC1(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCCCC1 617338957 BPRQCSIFOQOQDT-HNNXBMFYSA-N 292.467 3.502 30 20 CHED C[C@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1F 274372373 WSZMGXLDTKUULP-PXAZEXFGSA-N 290.382 3.764 30 20 CHED COCC[C@@H](Nc1ccc(F)cc1C#N)c1ccc(C)o1 272248942 SGCCQPTVSNUVHD-OAHLLOKOSA-N 288.322 3.789 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N[C@@](C)(C#N)C(C)(C)C 545919653 UNPDTDLXQGKNPS-WWGRRREGSA-N 264.413 3.647 30 20 CHED CCS[C@@H](C)c1noc(-c2ccc(CC#N)cc2)n1 273962277 OCKGRDZXXVDULX-JTQLQIEISA-N 273.361 3.617 30 20 CHED CC(C)c1occc1C(=O)N(C)Cc1cccc(C#N)c1 279909020 DHDVZUPUKZXINA-UHFFFAOYSA-N 282.343 3.547 30 20 CHED CC(C)(C#N)c1nc(-c2cc(Cl)cc(Cl)c2)no1 273649537 DBERQAXUCZCOBW-UHFFFAOYSA-N 282.130 3.845 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(Cl)cc1SCC 547303605 AADYKOQEGGYHFI-NSHDSACASA-N 296.823 3.874 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 367533641 NDDJWOODKXJETA-YXJHDRRASA-N 284.403 3.578 30 20 CHED C#CCCCC(=O)N1CCCC[C@H]1c1ccccc1 277367158 BOCGJVLZDNAWGH-INIZCTEOSA-N 255.361 3.544 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCC#Cc1ccc(F)cc1 542542996 BUDQHBRGPDTHBD-HZPDHXFCSA-N 281.374 3.959 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccnn1C(C)C 279609194 XVXVAIZDKMNEBD-UHFFFAOYSA-N 297.402 3.683 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1coc2cc(C)ccc12 546665946 HGJIEPATDJKGTL-CQSZACIVSA-N 271.360 3.755 30 20 CHED C=C[C@H](C)NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 465118918 HAWYUSNJVAHELC-ZETCQYMHSA-N 283.158 3.779 30 20 CHED C=CCCc1nc(Cc2cccc(Cl)c2F)no1 546410543 ISUDATQYPYJXTC-UHFFFAOYSA-N 266.703 3.572 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 373367354 ZYGCJPBIDGGQSI-SIFUEBAJSA-N 282.387 3.631 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 464643006 JWEGRFNMIRFFFN-UHFFFAOYSA-N 287.256 3.977 30 20 CHED COc1ccc([C@H]2CCCN2c2snc(C)c2C#N)cc1 285521436 GPODRMLEWZRBEL-OAHLLOKOSA-N 299.399 3.673 30 20 CHED C=CCC1(NC(=O)[C@H](CCCC)C(C)C)CCOCC1 622939643 ABJRKKCOWVHJTB-OAHLLOKOSA-N 281.440 3.690 30 20 CHED C=CCC[C@@H](CC)N[C@@H](COC)c1ccc(CC)o1 462114145 ZNDACFLNJDCPDC-HIFRSBDPSA-N 265.397 3.864 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@H](OCC)C1CCCC1 551686342 ABWDRXACKOKNRU-HNNXBMFYSA-N 281.440 3.690 30 20 CHED N#Cc1nc(SCCC(F)(F)F)ccc1Cl 280097613 AOZNAWVWXKLXSY-UHFFFAOYSA-N 266.675 3.651 30 20 CHED C[C@H](N[C@H]1CSC1(C)C)c1ccc(C#N)cc1Cl 555229151 RFHIJBHTJFOQOP-ZANVPECISA-N 280.824 3.756 30 20 CHED C=CCn1c(SCCCCF)nnc1-c1ccco1 285018846 DSNHGQREJXNHLO-UHFFFAOYSA-N 281.356 3.566 30 20 CHED N#CCCCCN1CCC[C@H]1/C=C/c1ccccc1 374764117 HMVKLCFUTHSJPQ-FLVLSHQESA-N 254.377 3.858 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(Cl)s1 467427148 JHIVANPRIFBUBW-ZDUSSCGKSA-N 271.813 3.962 30 20 CHED Cc1cc(F)cc2c(=NC3CCCCC3)c(C#N)c[nH]c12 461459595 CGYBEPUFIHLFHA-UHFFFAOYSA-N 283.350 3.721 30 20 CHED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccncc1 280040996 GVGIUYWAJMZWDE-UHFFFAOYSA-N 293.370 3.549 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1ccc(C)o1)c1ccco1 285898004 CPJBAFVZZJFHFD-KGLIPLIRSA-N 275.348 3.512 30 20 CHED C=CCCSCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 555428048 CMQYLSDDVLTJPL-MRXNPFEDSA-N 295.423 3.948 30 20 CHED CC[C@H](CN(CC)C(=O)[C@@](C)(C#N)CC)c1ccccc1 552444146 TZVAIIYHGNCVFL-CRAIPNDOSA-N 286.419 3.969 30 20 CHED CN(C(=O)NCCCCC#N)[C@H]1CCC[C@H]1c1ccccc1 297803418 WHDRBOLEDQIAJQ-IRXDYDNUSA-N 299.418 3.658 30 20 CHED CN(C(=O)NCCCCC#N)[C@@H]1CCC[C@@H]1c1ccccc1 297803416 WHDRBOLEDQIAJQ-IAGOWNOFSA-N 299.418 3.658 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC1(C)C 475339272 WQTFKXUWJVZWKQ-QGZVFWFLSA-N 296.414 3.899 30 20 CHED C[C@H](c1ccccc1)N(C(=O)c1cccc(C#N)c1)C1CC1 298396652 ONXMSFVWPANGGS-CQSZACIVSA-N 290.366 3.924 30 20 CHED C#Cc1ccc(CNc2cccc(NC(C)=O)c2C)cc1 809595955 VUCLRHZOSBFPQV-UHFFFAOYSA-N 278.355 3.547 30 20 CHED CO[C@H](C1CC1)[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 388359434 RYTSFGUBSZIDQG-OTYXRUKQSA-N 298.308 3.802 30 20 CHED C[C@@H]1CN(CC(C)(C)CCC#N)Cc2ccccc2O1 292884101 YBIRCSYXZAMDJV-CQSZACIVSA-N 272.392 3.599 30 20 CHED Cc1ncsc1/C=C1\C(=O)c2ccccc2[C@H]1C 809159369 OJGGHDNYCQVNHH-VAENJDROSA-N 255.342 3.835 30 20 CHED Cc1cc(N2CCC(c3ccccc3F)CC2)c(C#N)cn1 565770602 ARIAYMPWRVYCTR-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C=C(C)CNc1cccc(Cl)c1OCC(F)F 809195774 WTNQQQSJBWECTI-UHFFFAOYSA-N 261.699 3.972 30 20 CHED C[C@H](C#N)OCCNc1ccc(CCC(F)(F)F)cc1 802743166 HQPXJZGYMOCBOI-LLVKDONJSA-N 286.297 3.522 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(SC)c1C 297060035 XYUMFMGLQVFONS-UHFFFAOYSA-N 289.404 3.651 30 20 CHED N#C[C@H]1CC[C@@H](N2CCn3c(cc4ccc(Cl)cc43)C2)C1 293974651 DGODYJSBMBKQFC-SWLSCSKDSA-N 299.805 3.803 30 20 CHED CCCCOc1ccc(NCc2cc(C#N)cs2)cn1 478628572 IHSKYAIHUIEBSP-UHFFFAOYSA-N 287.388 3.806 30 20 CHED C[C@H]1CC[C@H](C=NNc2ccc(C(F)(F)F)cn2)C1 800804898 LUHHHMVGRFNCSI-UWVGGRQHSA-N 271.286 3.934 30 20 CHED CC(C)(C)CCOC(=O)c1cc(C#N)ccc1Cl 803832866 JKSMCDRMPRRQIW-UHFFFAOYSA-N 265.740 3.805 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(-c2ccccc2)[nH]1 645960290 MKYZXHGRKSTRDJ-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C[C@@H]1CCC(=NNCc2cccc3cccnc23)C1 814803937 RXGSFEQHAIIKMY-GFCCVEGCSA-N 253.349 3.500 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(C#N)cc1 812240804 SSGCNACADYOTAP-SOFGYWHQSA-N 281.286 3.602 30 20 CHED C[C@H]1CCC(=NNCc2cnc3ccccc3c2)C1 814877179 RJMFKSVCUWGFQT-LBPRGKRZSA-N 253.349 3.500 30 20 CHED Cc1ccc(C2=CCN(c3cccnc3C#N)CC2)cc1 811714487 KKKCANTYFVLSJD-UHFFFAOYSA-N 275.355 3.555 30 20 CHED C[C@@H]1CCCN(Cc2ccc(C#N)cn2)c2ccccc21 565154439 AYMNTJYAGFMXLY-CQSZACIVSA-N 277.371 3.857 30 20 CHED CC[C@@H](C=NN1Cc2ccccc2C1=O)c1ccccc1 814902590 QFAPMLNCYAHMOK-AWEZNQCLSA-N 278.355 3.822 30 20 CHED Cc1cc(Cl)cc2c1O/C(=C/c1cccnc1C)C2=O 811697032 IVWZMNHMUCRBFF-VGOFMYFVSA-N 285.730 3.968 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cccc2cc[nH]c12 814686083 VVRRKLCWJBBNMF-UHFFFAOYSA-N 280.287 3.522 30 20 CHED CC(=NOCC1CC1)c1cc(C)ccc1OC(F)F 814244332 OCNOJWAVQJBYRH-UHFFFAOYSA-N 269.291 3.747 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(F)ccc1Cl 815312156 MQJXYOQCPZCXHL-UHFFFAOYSA-N 278.657 3.734 30 20 CHED CCC/C(C)=C/C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 819736736 OEXYJZULVQDBPF-UELRPHRMSA-N 270.376 3.824 30 20 CHED C=CCN1CCC(N[C@H](C)c2cc(C)c(F)c(C)c2)CC1 482632042 PEWVLVLYCZZCTH-OAHLLOKOSA-N 290.426 3.744 30 20 CHED CCC[C@]1(C(F)(F)F)CCCN1C(=O)CC(C)(C)C#N 486328439 LQTHOVOEWDHDOR-CYBMUJFWSA-N 290.329 3.650 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1c1cccs1 814776065 ILDQMKNKBAGLBR-SNVBAGLBSA-N 271.332 3.623 30 20 CHED C=CCCC1(C(=O)N2CCCc3ccccc32)CC1 483056800 WVZBHGUDCBQKOL-UHFFFAOYSA-N 255.361 3.712 30 20 CHED CC1(C)OCCC1=NNc1ccc(C(F)(F)F)cc1 814882667 VIBXTBORLWBXNF-UHFFFAOYSA-N 272.270 3.672 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1C(=O)N1CCC(CCC#N)CC1 576281988 QNTQRYBBGDUIOR-IEBWSBKVSA-N 296.414 3.507 30 20 CHED C=CC[C@H](c1ccccc1)c1nc(C2CCOCC2)no1 656749056 GPWSISYGIRQMPH-OAHLLOKOSA-N 284.359 3.672 30 20 CHED Brc1cccc2c1CCC2=NOCC1CC1 814242246 WMYWWMKHLACFDK-UHFFFAOYSA-N 280.165 3.526 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)c3ncccc23)o1 814267374 CRAMIDPFNGMDDS-UHFFFAOYSA-N 297.701 3.605 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 488484667 VHFXTLUMOJEIEK-BLLLJJGKSA-N 272.392 3.671 30 20 CHED N#Cc1ccc(C(=O)NCc2cc3ccccc3s2)s1 489537280 HOOKTHIJRWVUFN-UHFFFAOYSA-N 298.392 3.764 30 20 CHED C#C[C@H](NC(=O)c1c(C)nc2ccccc2c1C)C(C)(C)C 813774301 AMFRISZGWOBNRP-INIZCTEOSA-N 294.398 3.629 30 20 CHED CCCC(=NNc1ncnc2ccsc12)c1ccccn1 814880144 RUIDLNCIKOCYIM-UHFFFAOYSA-N 297.387 3.703 30 20 CHED CC[C@@H](C=NNc1ccc(F)cn1)c1ccccc1 814842841 SKUDZRYXHKRTDT-LBPRGKRZSA-N 257.312 3.812 30 20 CHED CC#CCCNC(=O)N(Cc1ccoc1)C1CCCCC1 483411223 AWQFLXBAGOQVSZ-UHFFFAOYSA-N 288.391 3.537 30 20 CHED C[C@@H](O)c1cc(NCc2ccc(C#N)c(F)c2)ccc1F 814238302 NUJPCQMCPDEXPV-SNVBAGLBSA-N 288.297 3.502 30 20 CHED C=CCCn1cc(CNc2ccc(C(C)(C)C)cc2)nn1 656115378 KKOAIMCTXWIICQ-UHFFFAOYSA-N 284.407 3.764 30 20 CHED CCC(Cc1ccc(OC)c(OC)c1)=NOC/C=C\Cl 811670449 SJWMWPWTBQZAEX-PPZHCBMDSA-N 297.782 3.781 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(C)C[C@H](C)C#N 727673679 SIOUTVVNEBYVPR-ZIAGYGMSSA-N 252.402 3.601 30 20 CHED C#C[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccc(Cl)cc1 811947998 VDHPPQGQEWJJBZ-XJKSGUPXSA-N 287.790 3.877 30 20 CHED CC1(C)CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 726966074 AQQCBEOMOIMDRK-UHFFFAOYSA-N 294.402 3.501 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H]1CC1(C)C)c1ccccc1 489396409 VYBSNLXWKUBQBU-HIFRSBDPSA-N 257.377 3.603 30 20 CHED C#CCN(CC)C(=O)/C=C/c1cccc(OC2CCCC2)c1 727667666 OEZHWRYPPCNNLZ-OUKQBFOZSA-N 297.398 3.503 30 20 CHED Cc1ccc(C(C)(C)CNC(=O)c2ccc(C#N)cc2)cc1 485713295 ZQXNXAZGKBUGLD-UHFFFAOYSA-N 292.382 3.574 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@H]1CC 572048845 HYKULTFXCBGVJL-OAHLLOKOSA-N 296.418 3.818 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@H]1C1CC1 579885693 GFESIOYMEHMHQU-UONOGXRCSA-N 256.349 3.557 30 20 CHED CC(Cc1cccs1)=NNCc1cc(F)ccc1F 729637953 YSUKSYYYQOTCJD-UHFFFAOYSA-N 280.343 3.735 30 20 CHED C#CCCCOc1cccnc1N1CCC[C@H](C)CC1 820645056 NXHVYUFEYARGGL-HNNXBMFYSA-N 272.392 3.500 30 20 CHED C#CCNC(=O)Nc1ccc(SC(C)(C)C)cc1C 726080070 KMZATTWVPBFQPS-UHFFFAOYSA-N 276.405 3.640 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C1CC1 495181363 QERQTBGMYGMUGG-MSOLQXFVSA-N 298.430 3.758 30 20 CHED CCOc1cc(C=NNC2CCCC2)ccc1OC(F)F 727652682 UOSZIQYKLGVCGV-UHFFFAOYSA-N 298.333 3.553 30 20 CHED C=C(C)COc1cccc(N=Cc2cccc(O)c2O)c1 727265481 QYXXUXMQTHSBTM-UHFFFAOYSA-N 283.327 3.803 30 20 CHED C#C[C@H](N[C@H]1CCO[C@H](CC)C1)c1ccc(Cl)cc1F 824370687 NSENKTXDGABKII-ZENOOKHLSA-N 295.785 3.701 30 20 CHED COc1cc(C(=O)/C=C\c2cc(C)c(C)cc2C)on1 821022140 PBRHGBYZXPLAOI-WAYWQWQTSA-N 271.316 3.505 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)ccc1F 584424922 ZMXNCIOBHXDPIW-QGZVFWFLSA-N 288.366 3.727 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCc1ccc(Cl)cc1 492244240 ZFMKHQIBIPKRNT-OAHLLOKOSA-N 292.810 3.633 30 20 CHED C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 727434990 MBBAONUPHKOZNZ-CYBMUJFWSA-N 295.342 3.706 30 20 CHED N#CCCCCCC(=O)N1CCC=C(c2ccccc2)C1 588166843 ZOUPNGICHSLFPM-UHFFFAOYSA-N 282.387 3.776 30 20 CHED CC1(C#N)CCC(Nc2ccc(Br)nc2)CC1 824119875 PEWQJSXQXORVFH-UHFFFAOYSA-N 294.196 3.728 30 20 CHED CCCCCCCC[C@@H](N)c1nc(C2(N)CCCC2)no1 900005820 MFPYAMCBSLCKQA-CYBMUJFWSA-N 294.443 3.548 30 20 CHED CCCCCCCC(=O)NCCc1ccc(F)cc1F 732644948 ASUJEWPATHWLQN-UHFFFAOYSA-N 283.362 3.984 30 20 CHED COc1cc(F)c(F)cc1NCC#Cc1ccc(F)cc1 584179338 PRFMEMSUAPXOSB-UHFFFAOYSA-N 291.272 3.576 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1c(Cl)c(C)nn1C)C2 901473323 CBGZSLPCKTZCBS-XYOKQWHBSA-N 286.762 3.513 30 20 CHED C=CCCC[C@@H](NCc1cccc(SCC)c1)C(=O)O 900069312 XTNJTYJSEZOUMN-OAHLLOKOSA-N 293.432 3.698 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CC[C@@H](C)C2)cc1 581497025 JERFBSCXJNRSKG-XYPHTWIQSA-N 284.403 3.708 30 20 CHED C#CCOc1cccc(NC(=O)C=C2CCCCC2)c1 730976500 RHHDEGBYESLOKD-UHFFFAOYSA-N 269.344 3.528 30 20 CHED C=CCC1(C(=O)Oc2ccc(C#N)cc2OC)CCCC1 839217065 KSSRUYUYKSNJAN-UHFFFAOYSA-N 285.343 3.609 30 20 CHED N#CCc1cccc(C(=O)OC[C@H]2CCc3ccccc32)c1 730926108 DPXULGXRLWDNHW-QGZVFWFLSA-N 291.350 3.639 30 20 CHED C#CCCOc1ccc(CNC2(C)CCCCC2)cc1 733326973 JGSIGFBNBDDICO-UHFFFAOYSA-N 271.404 3.901 30 20 CHED CCCC[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 589075436 KSEFAPGLOKWDGJ-CJNGLKHVSA-N 272.392 3.756 30 20 CHED Cc1ccc(C#N)cc1OC(=O)O[C@@H](C)CC(C)C 830860413 SGFUSEHVRPGYDW-LBPRGKRZSA-N 261.321 3.817 30 20 CHED C[C@@H](NC(=O)C#CC1CC1)c1cccc(Cl)c1Cl 837426109 HXOVHAXOLQDURC-SECBINFHSA-N 282.170 3.584 30 20 CHED C#CCCCCCC=NNc1nncc2ccccc12 834922297 ZTUJXERFZWMHMU-UHFFFAOYSA-N 266.348 3.611 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)C1=CC[C@@H](C)CC1 835336968 KYMMLRAVKATKIX-CJNGLKHVSA-N 266.381 3.505 30 20 CHED Fc1ccccc1NN=Cc1cccc(F)c1F 730728052 IHUKHSJFZLHHGG-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CCCCCCCC[C@@H](N)c1nc([C@@H]2CCCOC2)no1 904693813 BYBNQTXVBXTPPB-ZIAGYGMSSA-N 295.427 3.714 30 20 CHED Cc1cc(NN=C2CCCOCC2)ccc1Cl 905510109 ROBOGBQFLKRFAZ-UHFFFAOYSA-N 252.745 3.617 30 20 CHED CCC1(CC)CN(Cc2ccc(O[C@H](C)C#N)cc2)C1 839133009 UEACLARLWCODQM-CQSZACIVSA-N 272.392 3.599 30 20 CHED CC[C@@H](C)c1ccc(C(=O)NCC(C)(C)CC#N)cc1 837887893 ABEMBNJNUCRTFC-CYBMUJFWSA-N 272.392 3.870 30 20 CHED Cc1cc(/C=C2/COc3ccc(F)cc3C2=O)cc(C)c1O 731565656 XEELRBHQXQRRSY-QPEQYQDCSA-N 298.313 3.807 30 20 CHED C[C@H](OC(=O)C1CC2(CCC2)C1)c1ccc(C#N)cc1 830625512 FVIGJTNLVPIRTA-LBPRGKRZSA-N 269.344 3.743 30 20 CHED C[C@@H](CNCc1ccc(N(C)CCC#N)cc1)C(C)(C)C 734508771 CKLMURPQXCIAPY-HNNXBMFYSA-N 287.451 3.808 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C[C@H]2CCc3ccccc32)C1 839050448 LNDXYVPYJUVPAZ-FVQBIDKESA-N 283.371 3.732 30 20 CHED O=[N+]([O-])c1cc(C=NNc2ccccc2Cl)cs1 917532463 LCMMLDANGJXXRG-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H]1CCCc2sccc21 839038765 ZAMUFFXFZPLLCJ-WCQYABFASA-N 262.374 3.513 30 20 CHED CCC(C)(CC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 591316317 BLKJAWAYUAWESG-MRXNPFEDSA-N 284.403 3.878 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(F)cc2Cl)C1 839043990 OIEWEHGLDZLEQB-MWLCHTKSSA-N 281.714 3.718 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(Cl)c(OC)c1 835766465 GICNZSXFMAPVAO-UHFFFAOYSA-N 268.740 3.604 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)OCCCC(C)(C)C#N 837777545 CFXFDLXPIMFLDQ-UHFFFAOYSA-N 286.375 3.754 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)[C@@H](C)C#N 598559754 ZBUHHZNRVKTVFL-KBPBESRZSA-N 252.402 3.601 30 20 CHED CC(C)CC1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCC1 839053705 KDMRYPHYUCJYPL-UONOGXRCSA-N 263.381 3.828 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nc(CCC2CC2)no1 594530780 TYSNRUCVKVZLQX-GFCCVEGCSA-N 281.359 3.630 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1 749002142 ZQXYQYLNEBBPKV-CLTKARDFSA-N 268.703 3.503 30 20 CHED Cc1cc(/C=C2/COc3c(cccc3C(C)C)C2=O)n(C)n1 841485409 JVOJAOOTSRCENK-LCYFTJDESA-N 296.370 3.511 30 20 CHED C#CCCCCC(=O)N1CCCc2cc(F)cc(Cl)c21 841305968 QSXXRRGDFRAVRC-UHFFFAOYSA-N 293.769 3.952 30 20 CHED Cc1cc2cc(C=NNc3ccccn3)oc2cc1C 749813228 XIJYHNTTZCJKCU-UHFFFAOYSA-N 265.316 3.891 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(CCC(C)C)cc1 593426556 MGWDPFGMWAYBIC-AWEZNQCLSA-N 258.365 3.763 30 20 CHED C=C(C)CCOC(=O)c1cc(C2CC2)nc2onc(C)c12 744304687 XNYNPDBLZXIHLT-UHFFFAOYSA-N 286.331 3.532 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 845624912 VONMHPKFLGCKKC-BPUTZDHNSA-N 288.391 3.518 30 20 CHED CSCC1(CCN[C@@H](C)c2ccc(C#N)cc2F)CC1 595067462 IVHBXWKNHNYNCV-LBPRGKRZSA-N 292.423 3.881 30 20 CHED C=CCOc1cccc(CN[C@H](C)Cc2ccco2)c1 914796995 CWRXEAJCMSXZMW-CQSZACIVSA-N 271.360 3.565 30 20 CHED C=CC[C@H](C(=O)O[C@H]1CCC(C)(C)C1=O)c1ccccc1 840475356 WUHLBICSXLHDFI-GJZGRUSLSA-N 286.371 3.647 30 20 CHED CC(=NNCc1cccc2cccnc12)c1cc(C)oc1C 915959135 GIUCBZWHTVWYLT-UHFFFAOYSA-N 293.370 3.958 30 20 CHED C[C@@H](c1cccs1)[S@@](=O)CCCC(C)(C)C#N 747448397 NQETVKIRNZEMCB-GTNSWQLSSA-N 269.435 3.888 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1ccccc1Cl 745529828 DEVQGSAHBHNQJC-LBPRGKRZSA-N 282.767 3.927 30 20 CHED COc1cccc([C@@H](C)Nc2ncc3c(c2C#N)CCC3)c1 591818054 FCSOSUDAJUBSHM-GFCCVEGCSA-N 293.370 3.624 30 20 CHED CN(CCC#N)c1ccc(CNCC(C2CC2)C2CC2)cc1 742386346 AYVBNGHVFKVEKW-UHFFFAOYSA-N 297.446 3.562 30 20 CHED C=C[C@H](C)ONC(=O)c1ccccc1SC(F)(F)F 846543388 JDARYLGOTQHSRY-QMMMGPOBSA-N 291.294 3.534 30 20 CHED N#Cc1nc(N(Cc2cccs2)C2CC2)sc1Cl 590571713 VYVMNIZEDVXOLV-UHFFFAOYSA-N 295.820 3.899 30 20 CHED Cc1cc(CN(C)C[C@H](C)C#N)c(O)c(C(C)(C)C)c1 746705780 BFGAFJAXKKEPRI-CYBMUJFWSA-N 274.408 3.590 30 20 CHED N#CCCCCOC(=O)/C=C\c1ccc(Cl)s1 914620852 KQUSZBCCBGAALG-ALCCZGGFSA-N 269.753 3.652 30 20 CHED C[C@@]1(C#N)CCCN(CCc2cccc(Cl)c2)C1 590959846 YPIPSCPCYSNVCB-HNNXBMFYSA-N 262.784 3.508 30 20 CHED CCCOCc1ccccc1C/N=C\c1ccccc1O 915980981 IRFAMXNQORETRN-UYRXBGFRSA-N 283.371 3.938 30 20 CHED C=CCCCOC(=O)COc1cc(Cl)cc(Cl)c1 745599569 KLMCZZGXPXUXEN-UHFFFAOYSA-N 289.158 3.882 30 20 CHED CCC(C[C@H](C)CC)=NNc1ncc(Br)cn1 848420814 DAXPFXADOKMBED-SECBINFHSA-N 299.216 3.853 30 20 CHED Cc1cc(C)c2c(c1)CCC2=NNc1ncncc1Cl 848409053 KGEBALOITHUSQY-UHFFFAOYSA-N 286.766 3.509 30 20 CHED FC(F)(F)c1ccccc1C=NOCc1cccnc1 746585346 CWHPLZDDAICSRX-UHFFFAOYSA-N 280.249 3.651 30 20 CHED C=C(C)CCOC(=O)c1ccc(Oc2ccccc2)nc1 744299553 HEBIMPOLOXDZBU-UHFFFAOYSA-N 283.327 3.997 30 20 CHED C#Cc1cccc(NC(=O)Cc2ccccc2OC(C)C)c1 748617411 IRCNNDWDMHMKIR-UHFFFAOYSA-N 293.366 3.636 30 20 CHED CCC[C@@H](C(=O)N[C@H](C)CC#N)c1cccc(Cl)c1 599221029 JZQNIMLKXFKCSN-BXUZGUMPSA-N 278.783 3.642 30 20 CHED C=CCC1(CNC(=O)Nc2cc(N)ccc2C)CCCC1 841316915 QCNHDIYHGWZVJI-UHFFFAOYSA-N 287.407 3.835 30 20 CHED Oc1c(F)cc(C=NNc2ccc(Cl)cc2)cc1F 749853029 AOJLWGUAPNRGDI-UHFFFAOYSA-N 282.677 3.770 30 20 CHED C[C@@H]1CC/C(=C/C(=O)Nc2ccc(C#N)c(Cl)c2)C1 753626570 QMPSXVONOAKWMY-PAKSIRSJSA-N 274.751 3.897 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC[C@H](C#N)C1 928219468 WQOVGQCOAKEHQH-BZUAXINKSA-N 296.414 3.738 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cnc2ccsc2c1 755821933 IYUPRDAQAHVYTI-CQSZACIVSA-N 276.361 3.564 30 20 CHED COc1ccc(C2(N[C@@H](C)CC(C)(C)C#N)CC2)cc1 925821385 MWLQSUVNPRQRIO-ZDUSSCGKSA-N 272.392 3.602 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@H](C)C(C)(C)C)no1 685315265 DUAFMJUBRRBORV-XHDPSFHLSA-N 266.385 3.699 30 20 CHED C=CC(C)(C)COC(=O)CC[C@@H]1CC1(Cl)Cl 851064239 PNDFTDVUFAKNCL-SECBINFHSA-N 265.180 3.716 30 20 CHED Fc1ccc(NN=Cc2cnc([C@@H]3CCCO3)s2)cc1 755472992 ZRDSEGORRLACQU-ZDUSSCGKSA-N 291.351 3.580 30 20 CHED C=CCSc1ccccc1C(=O)N=S(=O)(CC)CC 925883235 HBLZSZWFLMJTNQ-UHFFFAOYSA-N 297.445 3.613 30 20 CHED Cc1ccc(CCCC(=O)OCc2cccc(C#N)c2)s1 750969803 INUQMQWTQYPLIB-UHFFFAOYSA-N 299.395 3.994 30 20 CHED C[C@@H](C#N)CNN=C1CCC[C@@H]1c1ccccc1Cl 758128839 JDWJNDSMPZFXLA-WCQYABFASA-N 275.783 3.713 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)Cc2c(F)cc(F)cc21 751536356 PIZBXSAXBGVINY-YHYXMXQVSA-N 274.241 3.926 30 20 CHED CCC(=NNc1cc(Cl)ccc1Cl)c1cnn(C)c1 751895938 XOFIVVGOFGYMQC-UHFFFAOYSA-N 297.189 3.953 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccc(CC(C)C)cc1 755701936 ZIVLDJRKSBWOPE-MDZDMXLPSA-N 282.387 3.823 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cc(-c2ccccc2)no1 926345941 SPVUVDGUMVONHP-CYBMUJFWSA-N 281.359 3.686 30 20 CHED CC(CCc1ccco1)=NN[C@H](C)c1ccccc1 920383614 XSGYTJPIIATHNF-CQSZACIVSA-N 256.349 3.939 30 20 CHED CSc1ccsc1C(=O)O[C@@H](C)CC(C)(C)C#N 851209158 CDNRTAMCJZIIIC-VIFPVBQESA-N 283.418 3.955 30 20 CHED COCCCC(C)=NNc1ccc(Br)cc1C 759194494 CLHGNTGCYRJJJJ-UHFFFAOYSA-N 299.212 3.972 30 20 CHED C#CC[C@H](NC(=O)CCCc1ccccc1)c1ccccc1 757595604 AXFYOQOZCYBFTD-IBGZPJMESA-N 291.394 3.890 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CCC[C@H]1C(C)C 756901288 NRGRXHBNARFSRJ-LBPRGKRZSA-N 290.363 3.617 30 20 CHED CC[C@@H](C#N)NC(=O)c1sccc1-c1ccc(F)cc1 758955961 YFWQRQDPJPZBQF-LBPRGKRZSA-N 288.347 3.586 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1oc(SC)cc1C 853118937 RLFJKTAOWAOZSX-HNNXBMFYSA-N 298.404 3.696 30 20 CHED C(=Nn1cnc2ccccc21)[C@@H]1CCc2ccccc21 755612546 NERLXUJNXKHSAT-AWEZNQCLSA-N 261.328 3.600 30 20 CHED C=CC[C@H](C)NC(=O)/C=C\c1ccc(SC)s1 859442276 JENFSLYXCYXIEV-ZEBCKKTISA-N 267.419 3.564 30 20 CHED CO[C@]1(C)C[C@H](Nc2nc3ccccc3cc2C#N)C1(C)C 750030684 VLVGLBQEMSBDEP-MAUKXSAKSA-N 295.386 3.722 30 20 CHED C#CC[C@@H](NC(=O)N1CCCC[C@H]1C(C)C)c1ccccc1 757777051 DSQIMQRKGBKBGH-MSOLQXFVSA-N 298.430 3.971 30 20 CHED CCC(C#N)(CC)C(=O)OCCOc1ccccc1Cl 860196226 QUJLMAHIWSHOAR-UHFFFAOYSA-N 295.766 3.592 30 20 CHED CC(C)O[C@@H]1CC(=NNc2cnc3ccccc3n2)C1(C)C 764910896 DYKACGAYVANOSO-OAHLLOKOSA-N 298.390 3.621 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(OC(F)F)cc1F 935697585 MFOLRPUYLJHVLE-JTQLQIEISA-N 299.292 3.608 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 933854930 NOFYENOOHYNHDG-HUUCEWRRSA-N 292.382 3.848 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H](c2ccccc2C)C1 931425933 PQXDVUYQUBXQKU-HZPDHXFCSA-N 271.404 3.913 30 20 CHED Cc1cc(NN=CCc2ccc(F)cc2Cl)nc(C)n1 766451006 RJKXIAMOSZFSIH-UHFFFAOYSA-N 292.745 3.526 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 935971194 LFCCRMFUWIHKJV-HZPDHXFCSA-N 281.440 3.690 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(OCCCCCC)cc1 767263469 RIGYLRHQMXXJFF-OAHLLOKOSA-N 287.403 3.739 30 20 CHED C=CCOCSc1nnc(-c2ccc(C)cc2)n1CC 865360610 VQNDQXKXTKFKSB-UHFFFAOYSA-N 289.404 3.526 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc(F)c(Cl)c1 933339668 IXZMNOFEEYQDDD-UHFFFAOYSA-N 284.762 3.693 30 20 CHED C#CC[C@H](NC(=O)c1ccc(C=C)cc1)c1ccccc1 760471681 MRYQGDFWILMSBM-SFHVURJKSA-N 275.351 3.824 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ncnc3sccc23)C1 768353939 CJUBNDQZZPHMTI-GHMZBOCLSA-N 274.393 3.915 30 20 CHED Oc1ccc2ccccc2c1/C=N\Cc1ccc(F)cn1 763097770 QIELRUNOMJVDDW-ODLFYWEKSA-N 280.302 3.699 30 20 CHED C=C(C)CCNC(=O)CC(C)(C)c1ccc(F)cc1 868700059 KFQYAAWMFPFKKL-UHFFFAOYSA-N 263.356 3.576 30 20 CHED Cc1cc(Cl)ccc1C=NNc1cccc(C(=O)O)c1 767361136 WAVKZUMHPPJACN-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C[C@@H](OC(=O)C1(c2ccccc2)CC1)c1cccc(C#N)c1 764607641 PNHGKDUKXUFVEC-CQSZACIVSA-N 291.350 3.894 30 20 CHED CC#CCCCC(=O)OCC(=O)c1ccc2ccccc2c1 767671743 MRWDVNDTFBGHTJ-UHFFFAOYSA-N 294.350 3.759 30 20 CHED C=CCN(C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C)C(C)C 763093408 XQJYUTKCWMRYHH-YOEHRIQHSA-N 286.419 3.916 30 20 CHED C=C(C)CCOC(=O)[C@H](CC)OC1CCCCC1 761236717 UZOVWGQFOBSEDL-AWEZNQCLSA-N 254.370 3.624 30 20 CHED Cc1scc(COC(=O)[C@]2(C#N)CC23CCCC3)c1C 876117508 UWZPRQCVFSGDBH-MRXNPFEDSA-N 289.400 3.882 30 20 CHED C=CCCC1=NN(C)/C(=N/Cc2ccccc2)SC1 762432930 USWMRDLDJJFZMM-NXVVXOECSA-N 273.405 3.543 30 20 CHED CC#CCCOC(=O)Cc1coc2c(C)c(C)ccc12 760288091 YNUGOWRDQSENTC-UHFFFAOYSA-N 270.328 3.549 30 20 CHED CC[C@H](N[C@H](C)c1cccc(C#N)c1)[C@@H](O)c1ccccc1 872133217 NUTSZLFNNMALAL-CCKFTAQKSA-N 294.398 3.721 30 20 CHED CCCCCCCNC(=O)N(Cc1ccccn1)C(C)C 875765057 ZQGLDGZPNHNPCH-UHFFFAOYSA-N 291.439 3.972 30 20 CHED N#C[C@@H](OC(=O)/C=C/c1ccccc1C(F)(F)F)C1CC1 870221386 NDZSTWYTBARWGW-SBDDDAINSA-N 295.260 3.564 30 20 CHED CC(C)[C@@H]1CC(=NNCc2cnc3ccccc3c2)CCO1 776777713 VTXMIVCKJKGZAA-SFHVURJKSA-N 297.402 3.515 30 20 CHED Fc1ccccc1CCNN=Cc1cscc1Cl 771878784 LZBNCKLTYNBFOE-UHFFFAOYSA-N 282.771 3.707 30 20 CHED C=CCc1ccc(OC(=O)C(CC)CC)c(OC)c1 875121572 ATTRDKIWSMUGGG-UHFFFAOYSA-N 262.349 3.765 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCO[C@H](C)C1 770848009 ZEMCJLFKFIDJMO-HUUCEWRRSA-N 269.429 3.668 30 20 CHED CC(=O)[C@](C#N)(CCN1CCC[C@H]1C(C)C)c1ccccc1 877996394 RMWLVERFVIEVDP-RBUKOAKNSA-N 298.430 3.547 30 20 CHED COC(=O)c1ccccc1NN=Cc1ccc(Cl)s1 776189164 BHGNWGRCCMUMGM-UHFFFAOYSA-N 294.763 3.634 30 20 CHED C#CCCCCCC(=O)Nc1nc2ccccc2s1 779712827 LEBIIUMUHSFCHN-UHFFFAOYSA-N 272.373 3.819 30 20 CHED Cc1cc(C=NNc2cc(Cl)ccn2)cc(C)c1O 777905140 BYKPBBDCDUJKMG-UHFFFAOYSA-N 275.739 3.503 30 20 CHED Fc1ccc(F)c2c1CCC2=NNc1cc(Cl)ccn1 777906773 GAZOTJNUEAUKTQ-UHFFFAOYSA-N 293.704 3.776 30 20 CHED C[C@H]1CC(=NOc2ccccc2C(F)(F)F)CCO1 773207008 IGYBIKITZSZJLQ-VIFPVBQESA-N 273.254 3.639 30 20 CHED C=C(C)CCC(=O)NCc1cc(Cl)cc(Cl)c1O 1120736570 SNKDOWGJBOEZLW-UHFFFAOYSA-N 288.174 3.672 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(C#N)c(F)cc1F 880714108 HRJNNMZEIZURDW-MWLCHTKSSA-N 293.317 3.631 30 20 CHED C=CCN(C(=S)Nc1ccc2c(c1)CCC2)C1CC1 771548743 PFVVCJSXGQLZPQ-UHFFFAOYSA-N 272.417 3.523 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@H](CCC#N)c1ccccc1 779990237 DPBCVHUNBCNRDH-FIFPYPGSSA-N 270.376 3.894 30 20 CHED C[C@@H]1CN(c2snc(Cl)c2C#N)CC(C)(C)C1 784178872 MTODHFSRDRFLLY-QMMMGPOBSA-N 269.801 3.541 30 20 CHED Fc1ccc(CON=C(c2ccccc2)C(F)(F)F)nc1 787786390 VHSPHKQNNJEFNN-UHFFFAOYSA-N 298.239 3.704 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(OC)c(Cl)cc1OC 887683415 CXZCCWHDUYKFEJ-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C#CCC1(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)CCCCC1 788430155 NEYMJYJOXFTGCB-HZPDHXFCSA-N 275.436 3.997 30 20 CHED CCCCc1ccc(N(C)C(=O)CC(C)(C)C#N)cc1 783965197 RHCKOVFQLDJKJE-UHFFFAOYSA-N 272.392 3.932 30 20 CHED C#CCCCCC(=O)NC[C@@H](Cc1ccccc1)C(C)C 787366888 IHJZCPHHANNWJY-GOSISDBHSA-N 285.431 3.811 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CCCc2ccsc2)n1 783339765 OCWXOFFJGIUZHR-LBPRGKRZSA-N 290.413 3.712 30 20 CHED C[C@H](CC1CCCC1)C(=O)[C@@H](C#N)c1cccc(F)n1 1122632167 QTZVQEIFRHGZOM-YPMHNXCESA-N 274.339 3.613 30 20 CHED C=CCC[C@H](NC(=O)[C@H](F)C(C)C)c1ccccc1 784136394 ZWQZRWFOPBRDGF-LSDHHAIUSA-N 263.356 3.804 30 20 CHED c1ccc(C(CC2CCC2)=NNCCc2ccncc2)cc1 789093140 AIWLRAWMEQNVJO-UHFFFAOYSA-N 293.414 3.808 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)c1ccccc1 165158270 BKAMORCIVHUPSA-CQSZACIVSA-N 250.345 3.718 30 20 CHED C=C1CN(C(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 898696538 WZUAEDFKAHGEAV-LLVKDONJSA-N 283.293 3.597 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCC[C@@H](N(C)C)C1 788438474 JXUCRJLUOHOCNU-MRXNPFEDSA-N 296.418 3.815 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC1CC1 409446040 WQBAPIRTQJAUBG-IRXDYDNUSA-N 254.377 3.558 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccco1 93872109 VWUYCCPAJVRYDW-IAGOWNOFSA-N 266.344 3.551 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1c(C)cc(C)cc1O 799875423 BMLZHFAJACYYTB-UHFFFAOYSA-N 279.343 3.717 30 20 CHED C=CC[C@H](C)C(C)=NNc1cccc(F)c1[N+](=O)[O-] 790307367 XEVOGRVXUZKOFH-VIFPVBQESA-N 265.288 3.734 30 20 CHED CC(C)C(CCc1ccccc1)=NNc1ncncc1F 793212351 ZIFPMWWHVQPBOU-UHFFFAOYSA-N 286.354 3.672 30 20 CHED C#C[C@@H](Cc1ccccc1)OC(=O)c1oc(C(C)C)nc1C 796980128 WDXCGNOYRGCRJX-HNNXBMFYSA-N 297.354 3.508 30 20 CHED CC1(C)CCC[C@H](Nc2ccc(OCC#N)cc2)C1 79971649 LGLFLWLJGLKKSU-AWEZNQCLSA-N 258.365 3.970 30 20 CHED Cc1ccc(C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)cc1C#N 799338724 ZKOUWFATEALLDS-KEYYUXOJSA-N 282.387 3.660 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NOCCSC 794574533 ICZRULVKJUAXQJ-UHFFFAOYSA-N 287.812 3.842 30 20 CHED COCCCON=C1CCCc2cc(SC)ccc21 795055872 QIZQFGMMYBEFTK-UHFFFAOYSA-N 279.405 3.502 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc(OC(F)F)cc1 795009800 KQGQHUJVORXVOT-UHFFFAOYSA-N 295.264 3.658 30 20 CHED C#CCCNC(C)(C)Cc1ccc(Br)c(C)c1 795192441 JQZXMIYGSJTKJG-UHFFFAOYSA-N 294.236 3.692 30 20 CHED CC(C)(C(=O)OCc1ccc(Cl)cc1C#N)C(F)F 791698164 OBNVLWJGGJNPPS-UHFFFAOYSA-N 287.693 3.546 30 20 CHED Clc1ccccc1NN=C[C@@H]1CCCSC1 794862111 KVOSWBBPHYILIQ-JTQLQIEISA-N 254.786 3.881 30 20 CHED C[C@@H]1CSCC1=NNc1cc(C(F)(F)F)ccc1F 794923579 PRGCKBKUSFMLLC-SSDOTTSWSA-N 292.301 3.995 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C(C)(C)C(F)F)n1 796749239 WDLMDYGAQSXMMF-MRVPVSSYSA-N 286.347 3.734 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(F)cc1F 798370013 ZNWVMFXBBBKQBN-QPJJXVBHSA-N 290.313 3.947 30 20 CHED CC(CCc1ccccc1)=NNc1cccc(F)n1 795006299 LVYRIABNUXOMAF-UHFFFAOYSA-N 257.312 3.641 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccnn2C(C)C)c1 794933767 AFPZTYTVNGIXEY-HJWRWDBZSA-N 284.359 3.759 30 20 CHED CCCCCCCCOC(=O)c1cnc([C@H](C)O)s1 798690692 LXNDFLGLAIEVPU-NSHDSACASA-N 285.409 3.714 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc(F)cc1Cl 795007209 USTRSIMLODAGJM-UHFFFAOYSA-N 281.693 3.849 30 20 CHED Cc1cc(CN(C)c2ccc(F)cc2)ccc1C#N 572934313 CSHXRCSTITYVRS-UHFFFAOYSA-N 254.308 3.642 30 20 CHED N#Cc1ccccc1OCCSc1cccc(F)c1 94623186 IBJLDTXEYOCTDB-UHFFFAOYSA-N 273.332 3.868 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 1319316123 PPSRDIHDWFOJPA-KZNAEPCWSA-N 281.399 3.513 30 20 CHED COC1(CSc2ccc(C#N)c(C)c2)CCCC1 1641222282 AYVXQSHVPOENSO-UHFFFAOYSA-N 261.390 3.918 30 20 CHED CC#CCCSCc1cn2cc(Cl)ccc2n1 1320370349 ZOYQXXILODZVJW-UHFFFAOYSA-N 264.781 3.634 30 20 CHED CC1(C)CCCN(CCc2c(F)cccc2F)[C@@H]1C#N 1642993577 XHUMBUGOFTWRLX-OAHLLOKOSA-N 278.346 3.521 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1181365451 GCRMOUAHBMXMEL-HUUCEWRRSA-N 276.424 3.793 30 20 CHED C[C@@]1(COC(=O)CC#Cc2ccccc2)CC1(Cl)Cl 1328187577 NMXDSNVVDAMSOL-AWEZNQCLSA-N 297.181 3.555 30 20 CHED C#C[C@H](CCC)NC(=O)c1c(CC)oc2ccccc12 1338946807 MYTDGWKMKJBQAV-GFCCVEGCSA-N 269.344 3.527 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)c2cccc(F)n2)cc1 1263379561 PWFDAJLFIHBYTI-HIFRSBDPSA-N 296.345 3.584 30 20 CHED C#C[C@](C)(CC)NC(=O)c1c(CC)oc2ccccc12 1261743890 OPPGMELISSNZBI-QGZVFWFLSA-N 269.344 3.527 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)c1ccoc1)c1cccs1 1346403788 UHIKLCBBWUGKEA-MFKMUULPSA-N 275.329 3.789 30 20 CHED C=C(CC(C)C)C(=O)Nc1c[nH]nc1-c1ccccc1F 1346933015 BPWRGMATGPDYQL-UHFFFAOYSA-N 287.338 3.757 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)ccc1C)c1ccncc1 1275419626 JZSULQUFHYFDOR-MRXNPFEDSA-N 280.327 3.570 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc2ncsc2c1 1358453391 ZSORPTDICKVIQW-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 224447672 SKYKCQDPCAMWCD-GXTWGEPZSA-N 291.376 3.553 30 20 CHED O=C(O)c1csc(C(=O)/C=C/c2ccc(F)c(F)c2)c1 1602558143 LSDHMKFNMSTPCE-DUXPYHPUSA-N 294.278 3.621 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(C)c(F)c1 129244295 OVFSMLDSCHPNAZ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1ccnc(CSc2ccccc2Cl)c1 1472927706 RLOYTPDVXBUWNS-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Cc1cc(CN2CC(C)(C)[C@H]2C(C)C)ccc1C#N 1621361817 QGLDXRULJJAKCB-MRXNPFEDSA-N 256.393 3.733 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Nc2cc(F)cc(C#N)c2)c1 1563172408 HKPYRQIOBFCQAP-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CO[C@H]1CCC[C@@H](Sc2cccc(F)c2C#N)C1 1641163002 PKMLNYPTDWDSHX-WDEREUQCSA-N 265.353 3.747 30 20 CHED Cc1nsc(Oc2cnc3c(C)cccc3c2)c1C#N 1642820273 VHXNUABTLZRGPC-UHFFFAOYSA-N 281.340 3.972 30 20 CHED Cc1cc(C)c(/C=C/CN(CCC#N)CCC#N)c(C)c1 1657597198 OKGSLVJKVNHIJV-QPJJXVBHSA-N 281.403 3.754 30 20 CHED CO[C@@H](CNc1cccc(C#N)c1C)Cc1ccccc1 1658819864 RYLRUVRJWYDFKY-QGZVFWFLSA-N 280.371 3.536 30 20 CHED CCC(CC)(CNc1ccc([N+](=O)[O-])c(C#N)c1)SC 231717971 ZHVVUQUAKJKOSJ-UHFFFAOYSA-N 293.392 3.800 30 20 CHED CCC1(CC)CCC(=NNc2ccc(C(=O)O)nc2)CC1 1776071926 ZZOCUEFEXFQZRE-UHFFFAOYSA-N 289.379 3.928 30 20 CHED O=C(O)c1ccccc1NN=CC1C2CC3CC(C2)CC1C3 1776030924 DLVMHNRMRZGSBY-UHFFFAOYSA-N 298.386 3.855 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(CC)CCCC 1690328931 QQULTTSXVNRXGX-UHFFFAOYSA-N 284.835 3.780 30 20 CHED C=C(C)CNC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 161023746 JELOACNXWNXCPG-JKSUJKDBSA-N 281.440 3.834 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Cc1ccccc1Cl 151717846 QNTXNXUXZSUBRX-WBMJQRKESA-N 292.810 3.573 30 20 CHED C=CCOc1ccccc1CNCc1ccc(C)cc1OC 151006989 IIAGHRMJAIQUOL-UHFFFAOYSA-N 297.398 3.858 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2cc(O)cc(O)c2)c1 152694380 KAJFDDQIABCROH-AATRIKPKSA-N 268.312 3.611 30 20 CHED C=C(C)CNC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 153081505 QBYIERYEZHYNKE-UHFFFAOYSA-N 289.419 3.691 30 20 CHED COc1cc(C#N)ccc1CSc1ccc(C)cn1 155062566 YXFBHEXVNKWIGZ-UHFFFAOYSA-N 270.357 3.563 30 20 CHED N#Cc1ccc(C(=O)NCC2(C3CC3)CCC2)cc1Cl 159325515 FKANRXVEMPFJBA-UHFFFAOYSA-N 288.778 3.522 30 20 CHED C=C(C)COCCNC[C@H](c1ccccc1)C(C)C 232747561 JOJCIHGUQYEUMF-KRWDZBQOSA-N 261.409 3.609 30 20 CHED C#Cc1ccc(NC(=O)[C@@H](CC)CC(F)(F)F)cc1 891313525 QQXHVWHNWWFXDO-NSHDSACASA-N 269.266 3.585 30 20 CHED C=C(C)CN(C)Cc1ccc(F)c(Br)c1 195732301 WHGDLSNNANNPKK-UHFFFAOYSA-N 272.161 3.596 30 20 CHED C[C@@H](NCc1ccccc1F)c1cccc(C#N)c1 37212030 PRCWAKXWKKPOTL-GFCCVEGCSA-N 254.308 3.548 30 20 CHED N#Cc1ccc(NCC[C@@H]2CCCO2)cc1C(F)(F)F 44510726 LVCQCZIRTKNZEN-LBPRGKRZSA-N 284.281 3.558 30 20 CHED CC(C)[C@@H](C)S[C@@H](C)C(=O)Nc1cccc(C#N)c1 172967620 XBPLBCAYDCUXKB-NEPJUHHUSA-N 276.405 3.663 30 20 CHED Cc1cccnc1SCc1ccc(F)c(C#N)c1 344579949 HTRXGTPYLMMYSS-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC(F)(F)C2)c(F)c1 311153216 VEVVXYGAUINERD-NSHDSACASA-N 268.282 3.935 30 20 CHED Cc1ccc(CN(C)Cc2ccccc2C#N)s1 77208207 QVRALWUXZXFECR-UHFFFAOYSA-N 256.374 3.560 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)CCC 643221132 AKTCAWHXXCWECF-CQSZACIVSA-N 260.381 3.573 30 20 CHED C=CCC(C)(C)CNCc1cc(Cl)cc(OC)c1O 389147188 UTBFNYAROVQBDY-UHFFFAOYSA-N 283.799 3.746 30 20 CHED COc1ccccc1CSCCOc1ccc(C#N)cc1 58692731 DBWXQXKKJUBICY-UHFFFAOYSA-N 299.395 3.879 30 20 CHED CCCCCCCOC(=O)c1ccc(Cl)nc1 108662581 LVIUWLOWNVHHRI-UHFFFAOYSA-N 255.745 3.862 30 20 CHED CCCc1nc(C)c(C(=O)Nc2cccc(C#N)c2C)s1 178390208 JBNMODRFKVPVHD-UHFFFAOYSA-N 299.399 3.836 30 20 CHED C=CCCCS[C@H](C)C(=O)Nc1c(F)cccc1F 172215690 LYSDBOWYFDJTEO-SNVBAGLBSA-N 285.359 3.991 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(N2CCCCC2)cc1 116996576 XHXSIZHTNZAIQP-AWEZNQCLSA-N 287.407 3.763 30 20 CHED CCCCCC[C@H](CC)C(=O)N1CCC(C#N)CC1 116739626 PJRLHFYJQYJXGE-HNNXBMFYSA-N 264.413 3.745 30 20 CHED C=CCc1ccc(OC(=O)CCC2CC2)c(OC)c1 115006123 YEWZNWOINJKTKS-UHFFFAOYSA-N 260.333 3.519 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(C(F)(F)F)c1 116996282 NUXRJGNLHFUZNS-VIFPVBQESA-N 272.270 3.792 30 20 CHED C=CC1CCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 173647381 IKDRMAJVBGAZMK-ZDUSSCGKSA-N 292.448 3.534 30 20 CHED CC1CCC(=CC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 114635844 LEMHFZPDPMFMHU-ARLHGKGLSA-N 282.387 3.872 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C#N)C(C)C 113819293 CZIKMSHJRMNMPB-AWEZNQCLSA-N 252.402 3.791 30 20 CHED CCCC1CCC(N(C(=O)CSCC#N)C(C)C)CC1 171489326 CCOIGACQCGJUQC-UHFFFAOYSA-N 296.480 3.839 30 20 CHED Cc1cc(Cl)ccc1CN(CC#N)C1CCCC1 468405583 OCOGUQLFXJUNBP-UHFFFAOYSA-N 262.784 3.917 30 20 CHED CCCCOc1cccc(NCc2ccc(C#N)o2)c1 177555325 OKIIFTWRUXQXIF-UHFFFAOYSA-N 270.332 3.942 30 20 CHED C=C(Cl)COc1ccc(C)cc1Br 20077759 LEDKCASYLTXTET-UHFFFAOYSA-N 261.546 3.889 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)s1 175322081 VWGFSQAMXIFHLI-ONEGZZNKSA-N 280.295 3.936 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@H]1C 301425747 GOHBJTBNRFMQJD-NXEZZACHSA-N 268.282 3.669 30 20 CHED C=C[C@H](CC(=O)N1CCn2cccc2[C@H]1C)c1ccccc1 179444154 AMUYSMMJOPVXMN-HZPDHXFCSA-N 294.398 3.751 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2nc(C)sc2c1 116997728 LKQQPMAHVICQFF-VIFPVBQESA-N 275.377 3.691 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H](C)CC1CC1 112722907 YIVCEWHKOZQCQC-OAHLLOKOSA-N 286.419 3.615 30 20 CHED C=CCOc1ccc(Oc2nccc(C(F)(F)F)n2)cc1 301472064 PUWNMIFFTYDKKV-UHFFFAOYSA-N 296.248 3.853 30 20 CHED N#Cc1csc(/C=C2/CCOc3ccc(F)cc3C2=O)c1 176842735 LIKCHFRLPFCHCV-WDZFZDKYSA-N 299.326 3.808 30 20 CHED CC(=O)Nc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 37201359 SYBYIIPILOTENG-GFCCVEGCSA-N 279.343 3.690 30 20 CHED C[C@H](NC(=O)C1(C#N)CCC1)c1ccc(Cl)c(Cl)c1 128287420 UHYHOQUVDLZWPW-VIFPVBQESA-N 297.185 3.864 30 20 CHED C[C@@H](C1CC1)n1cc(Nc2ncc(C#N)cc2Cl)cn1 302377882 GFLAYPFMFBSMBR-VIFPVBQESA-N 287.754 3.518 30 20 CHED Cc1nnc(NCc2c(C)oc3ccccc23)c(C#N)c1C 302216798 JALJLIZRRDQWLY-UHFFFAOYSA-N 292.342 3.632 30 20 CHED CC[C@@H](Nc1cccc(F)c1C#N)c1ccncc1 301410299 XPXMQBYXZOXVMH-CQSZACIVSA-N 255.296 3.656 30 20 CHED CCc1ccc([C@@H](COC)N[C@@H](C)c2cccc(C#N)c2)o1 181812436 UWWVPCCDFKQBND-SUMWQHHRSA-N 298.386 3.752 30 20 CHED CC1(C)[C@H]2OCC[C@H]2[C@H]1/N=C/c1c(O)ccc2ccccc12 78052679 UXYMZXLCDKUGET-SZJFYFLGSA-N 295.382 3.778 30 20 CHED C=CCN1CCC(NC[C@H](C)c2cccc(Cl)c2)CC1 187823522 LXPUUTZAQYZBOU-AWEZNQCLSA-N 292.854 3.684 30 20 CHED Cc1csc(CSCc2cc(F)ccc2C#N)n1 125843998 XMSXISAAJDDJIG-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)[C@H](C)CC 182609789 VJAXCFSFZSWJBT-CHWSQXEVSA-N 265.422 3.945 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1C(F)(F)F 72499308 ZZECFELHOUPBRI-SNVBAGLBSA-N 294.276 3.872 30 20 CHED CCC[C@H](NCC#N)c1cccc(C(F)(F)F)c1 181847594 OVAXSLHXRNLKKV-LBPRGKRZSA-N 256.271 3.660 30 20 CHED C=C[C@@H](CC(=O)N(CC)Cc1ccoc1)c1ccccc1 126115869 VEDMSXZSJFJYSC-INIZCTEOSA-N 283.371 3.988 30 20 CHED C=C(C)CNC(=O)C1(c2ccccc2OC)CCCCC1 501518719 MLRVTFNEUWGWJC-UHFFFAOYSA-N 287.403 3.589 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1cc(F)cc(F)c1 121318796 MHUSFDKVSZMMRE-AATRIKPKSA-N 269.250 3.733 30 20 CHED N#CC1(CNC2CC(c3ccccc3Cl)C2)CCC1 418135496 ARCJRLRUQODLDR-UHFFFAOYSA-N 274.795 3.869 30 20 CHED Cc1cc2cc(CN(CCC#N)CCC#N)oc2cc1C 180043350 NEWXRYZYACMBMP-UHFFFAOYSA-N 281.359 3.679 30 20 CHED CC#CCCCC(=O)Nc1ccccc1OC(F)(F)F 184969854 SSEOYFIFWHYICL-UHFFFAOYSA-N 285.265 3.717 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCc2ccccc2N1 78495589 ILBTUODIGXUKIV-CYBMUJFWSA-N 281.334 3.536 30 20 CHED CC[C@](C)(C#N)NC(=O)CCc1ccc(CC(C)C)cc1 120878683 KMTZLOCREWUSNK-GOSISDBHSA-N 286.419 3.626 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 184903770 QYAUNBBJUATUTL-RYUDHWBXSA-N 293.794 3.630 30 20 CHED Cc1cccc([C@H](C)C(=O)N(C)c2ccccc2C#N)c1 508099263 RJSBFBOLUPOFRG-AWEZNQCLSA-N 278.355 3.633 30 20 CHED C=CC[C@H]1N(Cc2cnc(CC)nc2)CCCC1(C)C 414450541 XVZGMEMVHXUTBG-OAHLLOKOSA-N 273.424 3.606 30 20 CHED C=CCSCc1ccn(-c2c(F)cccc2F)n1 507618802 QGXDNXWZXJSGBQ-UHFFFAOYSA-N 266.316 3.570 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCCOc2cc(F)ccc21 414166368 NMFBHEKOZRIMHC-CQSZACIVSA-N 276.355 3.569 30 20 CHED C=CCC[C@@H](N[C@H]1C[C@@H](OC(C)C)C1)c1ccco1 414141532 JTAUCAXTIZJQLZ-QLFBSQMISA-N 263.381 3.833 30 20 CHED Cc1occc1CN(C)c1nc(C(F)(F)F)ccc1C#N 78834611 BQTDAJQCEXSBPI-UHFFFAOYSA-N 295.264 3.510 30 20 CHED CC[C@@H](C)[C@@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 416346750 MEOKYDWQFUHFIE-GDBMZVCRSA-N 284.403 3.626 30 20 CHED CC(C)CCc1nc(CSCCC#N)cs1 413009848 DSKYGOGMLNYXTP-UHFFFAOYSA-N 254.424 3.879 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](SCC)C(C)C 182603231 BEDFAWAYVDJIGZ-OLZOCXBDSA-N 257.443 3.625 30 20 CHED C#CCOc1ccccc1NC(=O)N[C@H](C)c1ccccc1 188060950 WWZGYEHHIZNRST-CQSZACIVSA-N 294.354 3.581 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(F)c(C)cc1F 189941747 QJBGMCJBFIKSFI-UHFFFAOYSA-N 294.345 3.818 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 412815468 PPKVPABJHMONKA-YVEFUNNKSA-N 289.375 3.504 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC(C)(CC)C1 413842905 YTTMFAIINIXIPQ-MRXNPFEDSA-N 286.419 3.615 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@H](C)CCSCC 410529388 ANORMXHZQSSJTO-GFCCVEGCSA-N 257.443 3.579 30 20 CHED Cn1c(NCc2ccc(C#N)cc2)nc2c(Cl)cccc21 185853923 AJGMCVFZBWDCNP-UHFFFAOYSA-N 296.761 3.710 30 20 CHED N#CC1(COc2cccc(C(F)(F)F)c2)CCC1 450626910 XECZYRZEGUHFGB-UHFFFAOYSA-N 255.239 3.778 30 20 CHED Cc1nc2ccc(N=C(O)[C@H]3C[C@H]3C3CCCCC3)cn2n1 328750834 CFIBROWWQSUCJI-GJZGRUSLSA-N 298.390 3.842 30 20 CHED O/C(=N/[C@@H]1CC12CCCCC2)c1c[nH]c2ncccc12 329093964 AVKVRUQYKYQYNK-CYBMUJFWSA-N 269.348 3.590 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2ccc3ccccc3n2)CCC1=O 328911593 GMOAZHFMMSUQQD-DGCLKSJQSA-N 282.343 3.828 30 20 CHED CCCCCC(=O)Nc1cc(C#N)ccc1OC(C)C 48944846 SSRZMAIZVSQKHJ-UHFFFAOYSA-N 274.364 3.864 30 20 CHED Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1ccsc1)CC2 41575001 XDPYTCCEJLPHOZ-POHAHGRESA-N 288.324 3.560 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc2cc(OC)ccc2o1 426541420 BHUNPKGUEXIWBY-CQSZACIVSA-N 271.360 3.982 30 20 CHED CC[C@H](CC(=O)N(CC)CCC#N)c1ccc(C)cc1 133406013 KYJUDSUYYKSQIQ-OAHLLOKOSA-N 272.392 3.641 30 20 CHED N#Cc1cccc(CN[C@@H]2C[C@@H]2C2CCCCC2)c1 610271480 NCKRNYKUMAIKMO-IAGOWNOFSA-N 254.377 3.617 30 20 CHED C=CC[C@@H](C)N[C@H](COC)c1ccc(Cl)cc1 194102493 MELCFFJZRXCMDE-BXUZGUMPSA-N 253.773 3.582 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C(/O)[C@H]1CCC(O)=NC1)CCC2 329289322 AESHDTJUSSSYTR-ZFWWWQNUSA-N 286.375 3.695 30 20 CHED O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1ccsc1 194615096 UZINDXPCSHSZMJ-VOTSOKGWSA-N 294.379 3.889 30 20 CHED C=C(C)CCN(C)[C@@H](COC)c1ccc(Cl)cc1 510782917 XGFFTXLMZCBHMT-HNNXBMFYSA-N 267.800 3.926 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[C@@H](C)CC 426073624 BJXLKAPPXYTUFO-MELADBBJSA-N 252.402 3.561 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1cccc(C#N)c1 512233614 KNDZXOWSMODDET-DZGCQCFKSA-N 285.391 3.896 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/[C@H]2CC=CCC2)s1 330909620 GGWQHNDYHLXJQW-MNOVXSKESA-N 280.393 3.654 30 20 CHED C=CCN(C)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 429879587 LPMDNMMMUBDMGK-GFCCVEGCSA-N 286.297 3.508 30 20 CHED Cc1ccccc1-c1cnc(CN(CCC#N)CC2CC2)o1 81044096 OOBNWXMXBGGBHI-UHFFFAOYSA-N 295.386 3.776 30 20 CHED CCCCCCCCCS(=O)(=O)[C@@H](C)c1cnccn1 190950301 MZVBFICMXZQWII-AWEZNQCLSA-N 298.452 3.703 30 20 CHED C=CCC[C@@H](NCCO[C@H]1CCCCO1)c1ccccc1 193090379 MCYRUJMIONBXPG-MSOLQXFVSA-N 289.419 3.827 30 20 CHED CC1(NC(=O)Nc2ccc(CC#N)cc2Cl)CCCC1 335584143 PAFIGNLIDUFEPB-UHFFFAOYSA-N 291.782 3.860 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)C(C)(C)c1ccccc1 424331684 SEDQYPOOQPSYAP-IJEWVQPXSA-N 256.393 3.635 30 20 CHED C=CCC[C@@H](CCC)NCC[C@]1(O)C[C@H]2CC[C@H]1C2 425941432 ZLGXLEAYVCWZRP-NXOAAHMSSA-N 265.441 3.652 30 20 CHED CCC[C@@H](C#N)NC(=O)C1(c2cccc(C)c2)CCCC1 92005032 YXLMRJVYHXETRU-INIZCTEOSA-N 284.403 3.615 30 20 CHED C=CCSCCNc1cccc(Br)c1C#N 231947740 ODEUKHWBLOHPHU-UHFFFAOYSA-N 297.221 3.652 30 20 CHED CCN(Cc1ccccc1C#N)c1ccc(F)cc1 49900050 DZKQUFVJVPOFDQ-UHFFFAOYSA-N 254.308 3.724 30 20 CHED C=CCN(CCC#N)Cc1cccc(OCC(F)(F)F)c1 428882779 SKPJKOYLNPLYPM-UHFFFAOYSA-N 298.308 3.529 30 20 CHED CN(C(=O)[C@@]1(C#N)CC12CCCC2)c1ccc2cc[nH]c2c1 333744918 WNGURGBOJFNZLN-SFHVURJKSA-N 293.370 3.605 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 336024962 CUXYTTUBCYXUAF-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED CCN(Cc1cccc(-c2ccccn2)c1)C[C@H](C)C#N 91983597 INWPIVNBZBLMRR-OAHLLOKOSA-N 279.387 3.730 30 20 CHED C#CCCOc1ccc(CNCc2ccc(C)cc2C)cc1 237748647 SPDIJSUEDQCRCU-UHFFFAOYSA-N 293.410 3.995 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cncc(Cl)c1C 424849441 JIOWRLCXHYQFEI-UHFFFAOYSA-N 252.745 3.584 30 20 CHED C=C(CNC(=O)N1CC[C@H](CC(C)C)C1)c1ccccc1 512661078 PTFMOBBJCHVJDP-MRXNPFEDSA-N 286.419 3.777 30 20 CHED CC(C)n1ccc(=O)nc1SCCCCC(C)(C)C#N 436206482 GHASIKILVQKRKE-UHFFFAOYSA-N 293.436 3.636 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccsc1 336457252 MNZGJZVUZVMVSW-VIFPVBQESA-N 274.320 3.501 30 20 CHED CC(C)c1cccc(N=C(O)c2c[nH]nc2[C@H]2CCOC2)c1 330349495 JYESIIZZAOVSIS-ZDUSSCGKSA-N 299.374 3.673 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](Cc1ccc(C)cc1)C1CC1 436304984 GFJRHPLHCDXIDK-ZCNNSNEGSA-N 299.458 3.887 30 20 CHED C=C1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 528430957 OHAHICPLKCKVET-UHFFFAOYSA-N 284.186 3.715 30 20 CHED C=CC[C@@H](C)NC(=O)NCC(C)(C)c1ccc(C)cc1 523937052 YRFNHQDNKWFBFD-CQSZACIVSA-N 274.408 3.536 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCc2ccccc2)cc1 245284246 QWVGMFQIGWAISF-UHFFFAOYSA-N 282.343 3.586 30 20 CHED CC[C@@H](NCC(C)(C)CCC#N)c1cccc([N+](=O)[O-])c1 348201861 XPUNSJJEIIQEKQ-OAHLLOKOSA-N 289.379 3.965 30 20 CHED C[C@H]1CC[C@H](N(C)C(=O)c2cccc(SCC#N)c2)C1 346998937 XPMBSJYQZLVEFD-JSGCOSHPSA-N 288.416 3.563 30 20 CHED Cc1csc(NC(=O)c2cncc3ccccc23)c1C#N 344921409 FWJJUYLRRANQAK-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCN(Cc1cccs1)Cc1cn2ccccc2c1C#N 248253482 NDCNEIXVPHTSBI-UHFFFAOYSA-N 295.411 3.895 30 20 CHED CN(Cc1ccc(F)cc1F)Cc1cc(F)ccc1C#N 345912487 ROIYESRUTAHFPV-UHFFFAOYSA-N 290.288 3.608 30 20 CHED N#CCc1ccc(C[S@@](=O)C/C=C\c2ccccc2)cc1 342262943 ZDSMMFDXSRBTQV-PAKAJVGYSA-N 295.407 3.715 30 20 CHED CC1(C)CCC([S@@](=O)Cc2ccc(CC#N)cc2)CC1 346085822 HTCRAKDEHTXWNQ-FQEVSTJZSA-N 289.444 3.970 30 20 CHED C[C@H](CC(=O)NCC(C)(C)CCC#N)c1cccc(F)c1 345910346 PKXPRUAHCZYKQN-CYBMUJFWSA-N 290.382 3.765 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccoc1CC 430413973 LMUQKVJJCFXTTQ-UHFFFAOYSA-N 294.354 3.542 30 20 CHED C=CCN(CCC#N)Cc1ccc(C)cc1Br 430097538 UTBYAQIVRQHGLL-UHFFFAOYSA-N 293.208 3.659 30 20 CHED CC(=O)c1ccc(NCc2ccc(CC#N)cc2)cc1C 342558327 ORGPYOUKLBEIPP-UHFFFAOYSA-N 278.355 3.876 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H]1Cc1ccccc1 602434475 FBXJECUDYCMARL-DOTOQJQBSA-N 256.393 3.633 30 20 CHED C=CCN(CC=C)C(=O)NCC(C)(C)c1ccccc1C 523641117 OVGMCUNWWASIBC-UHFFFAOYSA-N 286.419 3.656 30 20 CHED CCC(CC)N(Cc1ccc(C#N)cc1F)C1CC1 604434798 NHZJOIDSPDQVBV-UHFFFAOYSA-N 260.356 3.850 30 20 CHED COc1ccc(C(C)(C)CNC[C@H](C)CCC#N)cc1 602547093 ZDRBINXLGXDUEV-CQSZACIVSA-N 274.408 3.502 30 20 CHED Cc1cc2cc(CNc3c(C#N)cccc3C#N)ccc2[nH]1 343809575 PSRHKYIRLBRBGN-UHFFFAOYSA-N 286.338 3.832 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 528154305 FDEZXRRQAWEKAR-YMRXKLBXSA-N 298.386 3.576 30 20 CHED O=C1/C(=C/c2cc(F)c(O)c(F)c2)CCc2ccccc21 255146227 PWVXDUQQKYXMAK-KPKJPENVSA-N 286.277 3.883 30 20 CHED CC(C)Cc1ccc(C(=O)N(CCC#N)C(C)C)cc1 608814284 IBCXCTNLQBMIHQ-UHFFFAOYSA-N 272.392 3.649 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2c[nH]c3ccccc23)cc1 254509341 SZXLLFMXEKZWSA-UHFFFAOYSA-N 280.287 3.522 30 20 CHED N#Cc1ccc(Nc2ccc3ccoc3c2)c([N+](=O)[O-])c1 443502278 VTZIVVYLFYIGBI-UHFFFAOYSA-N 279.255 3.956 30 20 CHED C[C@H](c1noc(CNc2ccc(C#N)cc2)n1)C(C)(C)C 356888191 VSYJLRPPUGBACC-LLVKDONJSA-N 284.363 3.703 30 20 CHED C[C@@H]1CSC[C@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 354019473 YTCVHFLSGMKWHI-CSMYWGQOSA-N 286.444 3.667 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 359907391 WFCRMHVBWBVCMR-CZUORRHYSA-N 281.334 3.841 30 20 CHED CC(C)[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](C)C#N)c2ccccc21 602373647 NSZIIIBZOSTVHN-JQFCIGGWSA-N 299.418 3.672 30 20 CHED CN(Cc1ccco1)c1c(C#N)cnc2ccc(Cl)cc12 359691198 JAGLNPHBFUEFJZ-UHFFFAOYSA-N 297.745 3.989 30 20 CHED CCCC[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 443459877 HUMWLPJGONWTAV-JTQLQIEISA-N 276.405 3.873 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H]1Cc1ccccc1 442672919 JUQLFCDOAUEYAP-KXBFYZLASA-N 276.383 3.936 30 20 CHED CN(Cc1cccc(C#N)c1F)[C@@H]1CCc2ccccc2C1 539248956 KGPGHAYBWJUURO-GOSISDBHSA-N 294.373 3.687 30 20 CHED CCCCCOc1ccc(CNCC2(C#N)CC2)cc1 619535199 HSCCLCMCWKVTNY-UHFFFAOYSA-N 272.392 3.649 30 20 CHED C=CCOCCCC(=O)N1CCCCCc2ccccc21 443891546 IGLGWNFNNWAQTM-UHFFFAOYSA-N 287.403 3.729 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ncc(Cl)s1 358685660 HVXMMHXERGOMRT-UHFFFAOYSA-N 285.155 3.901 30 20 CHED CCC(CC)NC(=O)c1cn(CCCC#N)c2ccccc12 443909959 PREZCSPDAJAOPL-UHFFFAOYSA-N 297.402 3.863 30 20 CHED Cc1ccc(CSCCN[C@@H]2CC[C@@H](C#N)C2)cc1 442649606 NDLCVJAWFUVUQF-HZPDHXFCSA-N 274.433 3.510 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(C#N)cc1F 610004205 FJSJXXHFFIEVMP-GFCCVEGCSA-N 298.336 3.956 30 20 CHED CC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(C#N)c1 538268626 MFFGBGUUWOHMHG-ZDUSSCGKSA-N 276.767 3.616 30 20 CHED COc1cc(CN2Cc3ccccc3C[C@H]2C)ccc1C#N 442883834 WNNHYFAGGALQMR-CQSZACIVSA-N 292.382 3.514 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(F)cc2OCC2CC2)C1 442858988 ULVBAAWVNZBRDC-OCCSQVGLSA-N 274.339 3.719 30 20 CHED C[C@H]1CCCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 356815844 CVHCGLZFMBWKIV-DOTOQJQBSA-N 284.403 3.723 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ccccc21 618803375 VVUIBBNVPMADKG-RTBURBONSA-N 274.367 3.823 30 20 CHED COCc1ccc(SCc2ccc(C#N)cc2)cc1 610480556 ZXPLBUGODIQQHF-UHFFFAOYSA-N 269.369 3.997 30 20 CHED C=CCCC[C@H](C)NC(=O)CCOc1cccc(C)c1 538335303 GLVYHYUEYFVRSX-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(OCC)c(OCC)c1 358305221 RXAYKAQMZFSGQO-QWHCGFSZSA-N 263.381 3.709 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(C(F)(F)F)s2)C1 617849013 NNRDVKLLMRMGDG-LBPRGKRZSA-N 288.338 3.893 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2sccc2Cl)C1 617778565 JQWRCHSDVJYLTL-JTQLQIEISA-N 269.797 3.830 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(C#N)cs1 531208862 AAYZUFWOMWLBNG-QWHCGFSZSA-N 276.405 3.708 30 20 CHED CCc1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)cc1C 612319188 FHVZTUYUUCKBRX-QGZVFWFLSA-N 285.391 3.715 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(CC)s1 538288719 MGYBGXFMJNMTKT-GFCCVEGCSA-N 280.437 3.855 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@@](C)(C#N)C1 612132359 KYUISKLVDPJIPD-BBRMVZONSA-N 279.428 3.536 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC=CCC1 611394822 HOQHRNKBDUMIBV-WBVHZDCISA-N 252.361 3.634 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 451461139 RXIOLEDDJLKGAG-UHFFFAOYSA-N 298.264 3.608 30 20 CHED CC[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CC1 536875336 IKFKFEHHVXUSDP-HNNXBMFYSA-N 281.321 3.835 30 20 CHED Cc1cccc(-c2nnc(SCCCCC#N)o2)c1 614785808 OVAJMNBVTANQGP-UHFFFAOYSA-N 273.361 3.831 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](c1ccccc1)C(C)C 459008149 SZPUPQDTHDGGPH-MRXNPFEDSA-N 274.408 3.991 30 20 CHED C[C@]1(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC=CCC1 458583332 TXGLNMDTVSXKJZ-WMZOPIPTSA-N 297.402 3.829 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(O)cc1 611526568 USGZQWRHIZNFPQ-RBUKOAKNSA-N 292.382 3.664 30 20 CHED Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1CN(C)C 459757421 KPKBQLQHRZWSAN-GDBMZVCRSA-N 271.408 3.551 30 20 CHED CCn1ccnc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 453369581 VDQDTXCUEZQQDM-CXAGYDPISA-N 294.402 3.503 30 20 CHED C=CCOc1cccc(NC(=O)CCC2CCC2)c1 362909803 ZHLUEFWLSJDRTJ-UHFFFAOYSA-N 259.349 3.770 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCOC3(CCCCC3)C2)C1 365800702 ZMGFIZPZVUHQOJ-BZUAXINKSA-N 276.424 3.540 30 20 CHED CC(C)COC[C@H](NCCC(C)(C)C#N)c1ccco1 273495679 LOJFJOVOSRTBEG-AWEZNQCLSA-N 278.396 3.523 30 20 CHED C[C@@H](NCC1(c2ccccn2)CCC1)c1cccc(C#N)c1 367003838 PMZKYAQPVGDQAB-OAHLLOKOSA-N 291.398 3.726 30 20 CHED N#CCC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 362365724 PULGULZCOVFBEU-UHFFFAOYSA-N 279.265 3.683 30 20 CHED CC(C)CCc1noc(/C=C\c2ccc(C#N)cc2)n1 544823679 FJAZPHTWSUBYTL-NTMALXAHSA-N 267.332 3.700 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 617778924 RCBRUNOHEDJKKO-OLZOCXBDSA-N 271.351 3.627 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)cc1OC)C(C)(C)C 546708232 YBHJCMSJHIOHBA-AWEZNQCLSA-N 289.379 3.513 30 20 CHED CC#CCCNC(=O)c1ccccc1OC1CCCCC1 543608462 OBKQTKTWPQWXAG-UHFFFAOYSA-N 285.387 3.541 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1 455268223 FRJXCIZNIIJRKD-SJORKVTESA-N 299.418 3.526 30 20 CHED C=CC[C@@H](C(=O)NCC1CCSCC1)c1ccccc1 275018680 LZXPOUPNTNRROD-MRXNPFEDSA-N 289.444 3.606 30 20 CHED C=CCN(C(=O)CCCc1ccccc1)C(C)(C)C 622943934 XRMKUEIEUQPYOR-UHFFFAOYSA-N 259.393 3.822 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N(CCC#N)Cc1ccco1 273212508 BUVPXBWZTXLGQT-CQSZACIVSA-N 290.407 3.984 30 20 CHED Cc1ccc(NCc2ccc(C#N)o2)cc1OC(C)C 278790777 QOVBYHYIZORFAK-UHFFFAOYSA-N 270.332 3.859 30 20 CHED C=CCC1(CNC(=O)[C@H]2Cc3ccccc32)CCCC1 456486348 NNJIBJNIJSMGBT-INIZCTEOSA-N 269.388 3.579 30 20 CHED CCC1(CNC(=O)C2(C#N)CCCC2)CCCCC1 545840622 XIQDSJDRWHGEMB-UHFFFAOYSA-N 262.397 3.547 30 20 CHED CC(C)(C)n1cc(/C=C/C(=O)c2ccccc2Cl)nn1 276598466 HNLGTGQDCBCKQT-CMDGGOBGSA-N 289.766 3.583 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1cccc(C2CC2)c1 455118750 OMZXFVLBHSPTHF-CYBMUJFWSA-N 272.392 3.890 30 20 CHED CCCC[C@@H](CCC)NC(=O)NCC(C)(C)CC#N 458506466 NTDHOABFZDURIH-CYBMUJFWSA-N 267.417 3.584 30 20 CHED N#CC1(CN[C@H]2CCC[C@H]2c2ccc(F)cc2)CCC1 450737795 KTVGNRWIZXELOI-HOTGVXAUSA-N 272.367 3.745 30 20 CHED C#CCCCCC(=O)N(CCC#N)c1ccc(OCC)cc1 271342559 CMONAGLWLPWNEV-UHFFFAOYSA-N 298.386 3.526 30 20 CHED Cc1ccc(F)cc1-c1noc(-c2ccc(CC#N)cc2)n1 545700300 GONLOYPCEDJTHG-UHFFFAOYSA-N 293.301 3.917 30 20 CHED C#CCCCC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 277163052 LTUXTUMMHIWGBT-UHFFFAOYSA-N 282.387 3.513 30 20 CHED CC#CCCCC(=O)N(C1CC1)[C@@H](C)c1ccccc1 274312533 XRUDGUVGAUOFPQ-HNNXBMFYSA-N 269.388 3.932 30 20 CHED C#CCCCCc1nc(-c2ccc3[nH]ccc3c2)no1 273672180 HBINZFJYKKDGED-UHFFFAOYSA-N 265.316 3.564 30 20 CHED Cc1cc(CNCCC2C[C@@H](C)O[C@H](C)C2)ccc1C#N 548990760 XIFOCVABBOVTAS-HUUCEWRRSA-N 286.419 3.550 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 467991212 VVJHTTFTSJOJKF-KRWDZBQOSA-N 286.375 3.886 30 20 CHED N#Cc1cccc(C2(NCc3ccc(Cl)cc3)CC2)c1 551580437 JKNMYHGWKALUCR-UHFFFAOYSA-N 282.774 3.991 30 20 CHED Cc1nc2c(s1)[C@H](NCC(C)(C)CCC#N)CCC2 374859588 WMIWCRFNSGKAMQ-GFCCVEGCSA-N 277.437 3.749 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(Br)c(C)c1 285677730 NKWNJBGAGSXYPX-CYBMUJFWSA-N 296.164 3.603 30 20 CHED C=C(C)C[C@@H](C)c1nc(-c2n[nH]c3ccccc23)no1 554810929 UNXWBROXOIJDGJ-SNVBAGLBSA-N 268.320 3.683 30 20 CHED CC#CCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 462313657 IQWQDHFJFQRMRU-BBRMVZONSA-N 257.377 3.781 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)CF 286926707 HTXCJNBVAYHKTJ-MNOVXSKESA-N 295.383 3.560 30 20 CHED C=CCCN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 466649222 YLWHHIAGUIZVCA-UHFFFAOYSA-N 281.783 3.532 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 469339837 QXKPSVMUQWKVKV-GOSISDBHSA-N 298.430 3.776 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@H](n2cc(Cl)cn2)C1 289858134 LCPGUPSAFQWSOQ-CQSZACIVSA-N 294.830 3.503 30 20 CHED C=CCCCCNC(=O)C1CCC(C(F)(F)F)CC1 469791396 RGAFGGGHRHQUOY-UHFFFAOYSA-N 277.330 3.828 30 20 CHED N#CC1(CCCN[C@@H](c2ccccc2)C2CC2)CCOCC1 281891043 DUIBCMJWKPBFDT-SFHVURJKSA-N 298.430 3.828 30 20 CHED C=CCCCC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F 479768675 CUQKVKBUTFFOGC-CYBMUJFWSA-N 289.272 3.902 30 20 CHED CC[C@@H](C(=O)OCCCSCC#N)c1ccc(F)cc1 805532259 YZTYORDQYZBOMZ-CQSZACIVSA-N 295.379 3.509 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(C2CCOCC2)cs1 293592774 INOKROQIMXWKQM-UHFFFAOYSA-N 294.420 3.578 30 20 CHED C=C(C)CN1CCC[C@H](Cc2ccc(OC)cc2)C1 555151198 PAZFFMBUTUGDNZ-MRXNPFEDSA-N 259.393 3.526 30 20 CHED C[C@H]1CCCC[C@@H]1NC1(c2cccc(C#N)c2)CC1 556608142 FETZHSMSAVVVIZ-BBRMVZONSA-N 254.377 3.716 30 20 CHED Cc1ccc(SC[C@@H](C)Nc2ccc(C#N)nc2)cc1 472668536 RBIBUALPSAVGIF-CYBMUJFWSA-N 283.400 3.854 30 20 CHED CC#CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 801154974 CPAHYEZYMCDVME-UHFFFAOYSA-N 294.285 3.596 30 20 CHED C#CCCc1noc(-c2cccc3c4c([nH]c23)CCCC4)n1 809396589 AJWJLABDQMLFEM-UHFFFAOYSA-N 291.354 3.663 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1CCO[C@H](C)C#N 801915215 LATMHDCKTPWSPR-KBAYOESNSA-N 286.419 3.573 30 20 CHED C=CCOc1ccc(CNC(=O)C(F)=C2CCCC2)cc1 804140864 YDYNELWPZSCNHL-UHFFFAOYSA-N 289.350 3.665 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(C)c(F)cc1Cl 806584743 RTHGLHBSBLXXRX-UHFFFAOYSA-N 277.126 3.662 30 20 CHED C=CCC(CC=C)C(=O)OCc1c(C)cc(C)nc1OC 805493528 HHZKLAJUIFXOQI-UHFFFAOYSA-N 289.375 3.519 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C/C1CCCCC1 804832526 OFVBICPHTQGZBE-BUHFOSPRSA-N 281.399 3.785 30 20 CHED C#C[C@H](C)NCc1cccc(OCc2ccc(F)cc2)c1 809683171 SHMWCXJSOSNUJG-AWEZNQCLSA-N 283.346 3.516 30 20 CHED C#Cc1ccc(CNCc2ccc(C)cc2SC)cc1 809626519 KUONWWADHZGCMX-UHFFFAOYSA-N 281.424 3.988 30 20 CHED C=C(CC)CSc1nnc(-c2ccc(OC)cc2)n1C 560935767 PTCOMKQHLPPSIT-UHFFFAOYSA-N 289.404 3.549 30 20 CHED C#CCCCCc1nc(C2(c3ccccc3OC)CC2)no1 293470145 ZUXIOHQCOTXGMZ-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=CC[C@H](C(=O)N1CC(C2CCC2)C1)c1ccccc1 563322109 RNBOJDAOHJIYBM-KRWDZBQOSA-N 269.388 3.605 30 20 CHED C=CCC(C)(C)CN[C@@H](c1ccc(F)cc1)c1ncc[nH]1 293778832 SSDZZVYUCKJDRJ-HNNXBMFYSA-N 287.382 3.830 30 20 CHED C#C[C@H](NC(=O)/C=C(\C)C1CC1)c1ccc(Cl)cc1F 804419458 NPIIVIPMEUHVEE-HQPKTYMTSA-N 291.753 3.626 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(C)c1)C(C)(C)C 808316099 FKJYRHNUHVGTIG-DLBZAZTESA-N 298.430 3.889 30 20 CHED C=CCCCSCC(=O)N(C)[C@H]1CCCC[C@H]1C 476128229 BTBZJPVUMWRPPC-KGLIPLIRSA-N 269.454 3.723 30 20 CHED C[C@@H](C#N)CN(C)C(=O)C(C)(C)c1cccc2ccccc12 294672312 XDRBPINYYOKQJB-AWEZNQCLSA-N 294.398 3.735 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1cccc(C#N)c1 806005120 NVYRCBMYSKNAGK-UHFFFAOYSA-N 299.418 3.836 30 20 CHED C#Cc1ccc(CNc2cccc(OCCF)c2)cc1 809601148 TUQZHGASULSDCT-UHFFFAOYSA-N 269.319 3.628 30 20 CHED N#Cc1cc(Nc2cccc(CCC(F)(F)F)c2)ncn1 567446298 UEJPXUVQIJADAC-UHFFFAOYSA-N 292.264 3.587 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 294214295 OLYKBHSPTBRUPJ-RHSMWYFYSA-N 273.376 3.731 30 20 CHED C[C@H](SCCO[C@H](C)C#N)c1ccc(F)c(F)c1 802750051 VNRVKCPJAPZNPS-ZJUUUORDSA-N 271.332 3.688 30 20 CHED C=CCCCCNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 471670625 UEUDGCNMDLVVTO-VXGBXAGGSA-N 277.330 3.828 30 20 CHED C#C[C@H](C)NCc1cnc(-c2ccc(Cl)cc2)s1 809683891 JUSUEYACRAXMAO-JTQLQIEISA-N 276.792 3.575 30 20 CHED Cc1ncccc1CON=Cc1ccccc1OC(C)C 809991238 BUPAPFHFYGCASG-UHFFFAOYSA-N 284.359 3.728 30 20 CHED Fc1cc(F)cc(C2CC(=NOCC(F)(F)F)C2)c1 814881065 QWDRXKHUOCOYAD-UHFFFAOYSA-N 279.208 3.777 30 20 CHED CCCCN(C(=O)NCC1(C#N)CC1)[C@@H](C)c1ccccc1 562394947 PKRYKTJCVVVFCB-HNNXBMFYSA-N 299.418 3.863 30 20 CHED N#CCCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 483737089 ZOARNOCQZDUCEJ-RCCFBDPRSA-N 268.404 3.948 30 20 CHED C#C[C@H](Nc1ncnc(CC)c1F)c1ccc(Cl)cc1 811863219 SRJWPHCPVKAMFA-LBPRGKRZSA-N 289.741 3.618 30 20 CHED Oc1cc(OCc2ccccc2)ccc1C=NOCC1CC1 814240929 BHFNNZCSBOLNEF-UHFFFAOYSA-N 297.354 3.732 30 20 CHED C=CC[C@@H](C)N[C@H](C)CCc1ccc(F)cc1F 560546435 TUYQJWLRYAXBAD-VXGBXAGGSA-N 253.336 3.840 30 20 CHED C[C@H](Cc1cccc(F)c1)N(C)Cc1ccc(C#N)cc1 488467250 XBALVLDWONVJJU-CQSZACIVSA-N 282.362 3.760 30 20 CHED CC(C)c1nccnc1NN=C1CS[C@H](C(C)C)C1 814917287 SDXZOPSQYCIPHE-LBPRGKRZSA-N 278.425 3.529 30 20 CHED CS[C@H]1CCCCN(Cc2ccc(Cl)cc2C#N)C1 480842524 FQUPVJLJDCPTIM-HNNXBMFYSA-N 294.851 3.929 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1 819951981 ITHSNMJQDPHLIQ-UPJWGTAASA-N 282.343 3.830 30 20 CHED Cc1ccc([C@@H]2CCN(c3nccc(C)c3C#N)C2)c(C)c1 480561326 ZFHBSSQRNZIQMB-MRXNPFEDSA-N 291.398 3.872 30 20 CHED CCC(=NN[C@H](C)c1ccncc1)c1ccccc1 819815044 LEEXVFDDFALGJW-CYBMUJFWSA-N 253.349 3.547 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](F)C1)c1ccc(C#N)cc1F 572482555 ZBPOLLDDGHIDQO-WCFLWFBJSA-N 264.319 3.629 30 20 CHED CC(C)[C@@H]1CCc2ccccc2N1C(=O)CC(C)(C)C#N 486361288 WYWBXDGJTKKSRB-HNNXBMFYSA-N 284.403 3.930 30 20 CHED C#CCCOc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1 811513553 KBUWGQKDVJKYBL-LJQANCHMSA-N 295.426 3.853 30 20 CHED CCC[C@@]1(C(F)(F)F)CCCN1C(=O)CC(C)(C)C#N 486328440 LQTHOVOEWDHDOR-ZDUSSCGKSA-N 290.329 3.650 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(C)cc(C)n1)c1ccccc1 489747303 YEUAADGUFUQFRI-MRXNPFEDSA-N 280.371 3.997 30 20 CHED COc1ccc(C(C)=NOCCC2CC2)c(C)c1OC 814246247 FVBAWDDMWAOEJY-UHFFFAOYSA-N 277.364 3.553 30 20 CHED C=CCCCCOC(=O)c1ccc(C(C)=O)cc1F 811012677 SRZGIBPDPDKSQL-UHFFFAOYSA-N 264.296 3.541 30 20 CHED CCc1ccc([C@@H]2CCCN(c3cccnc3C#N)C2)cc1 574949453 BVLRDUQIYNPHIQ-QGZVFWFLSA-N 291.398 3.900 30 20 CHED CCc1ccccc1NN=Cc1ccc(O[C@@H](C)C#N)cc1 727683209 FSDOJPRAOKYHJK-AWEZNQCLSA-N 293.370 3.986 30 20 CHED COc1ccccc1SCc1ccc(OCC#N)cc1 729241258 DBNQLWRBXQYCNS-UHFFFAOYSA-N 285.368 3.890 30 20 CHED COc1ccc(C=NNc2ccc(OC(F)F)cc2)cc1 726426832 JBCFYIXHVSEPFF-UHFFFAOYSA-N 292.285 3.743 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](CC)CCC)C1 660499997 PKBXNNOCJCCQFT-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1cccc(Cl)c1)CC2 577028493 OMNPJTZOMCZRQX-QGZVFWFLSA-N 282.774 3.989 30 20 CHED FC(F)(F)c1ccc(C#CCN2CC[C@H](C3CC3)C2)cc1 491279442 RGCZGECBIULXCU-HNNXBMFYSA-N 293.332 3.789 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC(C)(C)[C@H]1c1ccncc1 820447465 HTJGHJNXCWWONX-XJKSGUPXSA-N 272.392 3.593 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccccc2)ccc1F 729142036 LJNBCWJBMNDDPT-ZDUSSCGKSA-N 256.324 3.819 30 20 CHED C=CCCCC[C@H](C)NC[C@H](O)c1ccsc1 823911830 WGBZXSYPMRDPBL-JSGCOSHPSA-N 253.411 3.506 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1nccnc1C#N 726593373 PLFKOGXTLPVZCJ-QWHCGFSZSA-N 272.396 3.613 30 20 CHED CC[C@H](N[C@H](CCOC)c1ccco1)c1cccc(C#N)c1 902944346 GBYJQMSZBZRUAN-DLBZAZTESA-N 298.386 3.970 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(Cl)cc1F 490103429 LSEAYLLGWIUHFE-UHFFFAOYSA-N 278.714 3.719 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CCC[C@@H]1CC)c1ccccc1 827395195 DUKZKMRYKNUDNY-XIRDDKMYSA-N 269.388 3.694 30 20 CHED C=CCNC(=S)N1CCCCC[C@@H]1c1ccc(C)o1 737464952 DMUQUQKFNBFYAH-CYBMUJFWSA-N 278.421 3.566 30 20 CHED CC[C@H](NCc1cccs1)c1cccc(C#N)c1 902724687 GLHPNCWROIXGBG-HNNXBMFYSA-N 256.374 3.861 30 20 CHED C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cccc(C#N)c1 903428399 OGWKFEJHODRVGO-ACJLOTCBSA-N 277.371 3.755 30 20 CHED CC[C@H](C)[C@@H](C=NNc1nccc2sccc12)OC 834940727 CJVFKQMGQNQMLE-CMPLNLGQSA-N 277.393 3.755 30 20 CHED C=CCC1(C(=O)Oc2ccc(C(C)=O)cc2)CCCC1 835044568 MFDBMQFEMNLVCV-UHFFFAOYSA-N 272.344 3.931 30 20 CHED N#Cc1ccc2c(c1)[C@H](Nc1cccc3c1OCCC3)CC2 589342923 UPJKXKLDONZUMF-QGZVFWFLSA-N 290.366 3.983 30 20 CHED C=C(CC)CNc1ccc(Br)c(C(=O)O)c1 833369812 FXPYIQOCKZQYSB-UHFFFAOYSA-N 284.153 3.525 30 20 CHED CCc1cc(C#N)c(NC(=O)CCCCCC#N)s1 588890188 YZJIZCYGMGZBGF-UHFFFAOYSA-N 275.377 3.595 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1ccc(OC)cc1 663859478 ULAPMHIJSHUKHP-CYBMUJFWSA-N 290.407 3.800 30 20 CHED C[C@H](CC(=O)OCCCCC1(C#N)CCC1)C1CC1 908954103 RWGUSEVEECHHLT-CYBMUJFWSA-N 263.381 3.830 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCCc2ccccc2)C1 839047454 XEQRRRJWUZGIJL-HZPDHXFCSA-N 271.360 3.635 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2cc(Cl)cs2)C1 839057193 WXSDQWCQTBEFAU-ZYHUDNBSSA-N 297.807 3.960 30 20 CHED CCN(CCCCC(C)(C)C#N)[C@@H]1CCOC(C)(C)C1 583292008 PRZHIYDIKPQBGN-OAHLLOKOSA-N 280.456 3.986 30 20 CHED Cc1ccc(-c2nc([C@H]3CCOC(C)(C)C3)no2)cc1C#N 834889713 ZAPVDSGXIASJBG-ZDUSSCGKSA-N 297.358 3.589 30 20 CHED C=CC[C@@H](C)C(C)=NN=c1cc[nH]c2ccccc12 730147233 NKRQZSYWKUZQQK-GFCCVEGCSA-N 253.349 3.657 30 20 CHED COc1ccc2c(c1)[C@@H](NCC(C)(C)C#N)CCCS2 903102344 WMBUKTVANVLPBW-AWEZNQCLSA-N 290.432 3.762 30 20 CHED CCC[C@@H](C=NNc1c(F)cccc1Cl)OC 834970132 SOEKRVPWXDDDDJ-VIFPVBQESA-N 258.724 3.692 30 20 CHED N#CC1(CCCCSc2ccc([N+](=O)[O-])cn2)CCC1 901518680 AGSKCNOZTWFSFY-UHFFFAOYSA-N 291.376 3.946 30 20 CHED C[C@@H](CCC(=O)OCc1cc(C#N)ccn1)c1ccccc1 909092775 QWEQLYDNQCPDMW-AWEZNQCLSA-N 294.354 3.580 30 20 CHED C#CCOc1ccc(NC(=O)N(CCC)CC(C)C)cc1 731112928 ZGXJDFKKAFTLCM-UHFFFAOYSA-N 288.391 3.599 30 20 CHED CCCC[C@@H]1CCCC1=NNc1ccc(-c2nn[nH]n2)cc1 736440999 LEAIUJXQCJWRKF-GFCCVEGCSA-N 298.394 3.625 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 733889302 CHZJSRXEZHEQMG-CJNGLKHVSA-N 270.376 3.584 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CSc2ccccc21 735414937 ODOBKPYISGAJFT-BPKVKKHESA-N 255.342 3.658 30 20 CHED C#CCOc1cccc(NC(=O)Nc2cccc(C)c2C)c1 733634934 YIJKFWOBOIYKHI-UHFFFAOYSA-N 294.354 3.959 30 20 CHED C=CC[C@H]1N(C(=O)c2nccc3[nH]ccc23)CCCC1(C)C 834547863 LDOIZAMOXYWAJZ-OAHLLOKOSA-N 297.402 3.770 30 20 CHED Cc1ccc(C2CC(=NN[C@@H](C)C(F)(F)F)C2)cc1 835002534 SYOQUAUKHBWERS-NUHJPDEHSA-N 270.298 3.769 30 20 CHED C=CC[C@H](NC(=O)c1cc2ccsc2[nH]1)c1ccncc1 734455975 PMDQJQKYEHYGSJ-ZDUSSCGKSA-N 297.383 3.672 30 20 CHED O=C(/C=C/c1ccccc1OC(F)F)c1cncs1 735793405 XQSUAFPAJUVXDC-AATRIKPKSA-N 281.283 3.641 30 20 CHED C=CCC(C)(C)COC(=O)c1cc(C)n(C(C)C)n1 835462746 MBEPCNWWPNYYGN-UHFFFAOYSA-N 264.369 3.532 30 20 CHED N#C[C@@]1(C(=O)OCCCc2ccsc2)CC12CCCC2 837904097 WDFDUEUWKCTEGD-MRXNPFEDSA-N 289.400 3.698 30 20 CHED COc1cc(C/N=C/c2ccccc2O)c2ccccc2n1 741843128 JARKRCWEXCUKBQ-YBFXNURJSA-N 292.338 3.568 30 20 CHED CCCc1sc(C(=O)N(C2CC2)[C@H](C)C#N)cc1CC 598128180 YBQHEYBTXGDPOA-LLVKDONJSA-N 290.432 3.780 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc(Cl)cc1O 841759233 XKIXNPVKLYNLCO-SNVBAGLBSA-N 266.772 3.636 30 20 CHED COc1cccc2c1CN([C@H](C)c1ccc(C#N)cc1)C2 599645606 QPMCPYJAPLDVBL-CYBMUJFWSA-N 278.355 3.644 30 20 CHED Cc1ncc(C=NNc2ccccc2Cl)s1 917532444 KOCOCDOVDZEJQV-UHFFFAOYSA-N 251.742 3.551 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1ccc(C(=O)O)cc1 916240917 VSYRUELOWGLDBS-UHFFFAOYSA-N 293.326 3.621 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)C#Cc1ccccc1 747394914 AHBGIHSRZJTFMV-LJQANCHMSA-N 289.378 3.574 30 20 CHED Cc1cc(-c2cn(C)nc2C(C)C)cc(C)c1C#N 844228047 BRAJKAGXFKCUHP-UHFFFAOYSA-N 253.349 3.699 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(OCC#N)cc1 744405336 JRXBHUKRCSNMOW-UHFFFAOYSA-N 299.418 3.741 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C=C1CCCC1 841370219 LQRCGZDJIUDCCJ-KRWDZBQOSA-N 280.371 3.552 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1ccc2c(c1)CCC2 915915365 CNGGULTVKOWJNT-UHFFFAOYSA-N 290.370 3.888 30 20 CHED CCOc1ccccc1COC(=O)c1cccc(CC#N)c1 919314140 TZFMXAXDXFAUDN-UHFFFAOYSA-N 295.338 3.508 30 20 CHED C=CCCSCCN[C@H](C)c1ncccc1CC 595057797 FAVBISMJGVOFDT-CYBMUJFWSA-N 264.438 3.604 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)[C@H]1CC1(C)C 841622109 SPSVHNNPOXNDJL-SNVBAGLBSA-N 274.368 3.894 30 20 CHED C=C[C@@H](C)ONC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 845635123 FBPHNPYZAIYSDJ-KGLIPLIRSA-N 288.391 3.503 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 747631099 ZVBNUAYVNQLLSJ-UHFFFAOYSA-N 267.716 3.836 30 20 CHED C=C(Br)CN(Cc1ccc(F)cc1)C(C)C 746653976 XDDLGFVPBIZWFU-UHFFFAOYSA-N 286.188 3.945 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)C2CCCCC2)c1 741466140 FWICUIFQDMJTNO-PBSOMRJOSA-N 261.365 3.789 30 20 CHED FC(F)(F)c1cccnc1NN=Cc1ccsc1 915051382 RSKWBKIEMCRAMI-UHFFFAOYSA-N 271.267 3.608 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](CCC)c1ccccn1 684894145 HBHQGVOTOGDZEW-HIFRSBDPSA-N 275.396 3.577 30 20 CHED Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccccc1Cl 849240275 LSYSMCRAIPEUHK-CMDGGOBGSA-N 286.762 3.847 30 20 CHED C=CCCC[C@H](C)OC(=O)c1cn(C(C)C)nc1C 847674614 UXAGGUDNHZGXLS-LBPRGKRZSA-N 264.369 3.674 30 20 CHED N#CC1(C(=O)N[C@H](C2CCCCC2)C2CCC2)CCC1 592697766 XNNLRCFBEVKUDH-OAHLLOKOSA-N 274.408 3.545 30 20 CHED C=CCN(C(=O)N[C@@H](c1ccccc1)C(C)C)C(C)C 918059783 MVNGSESNRHYOAO-MRXNPFEDSA-N 274.408 3.990 30 20 CHED N#CCC1(CSc2n[nH]c(CCC3CCCC3)n2)CC1 594883950 UDTPXAAKLXQOIT-UHFFFAOYSA-N 290.436 3.713 30 20 CHED C=C(C)C[C@H](C)c1nc(-c2ccc(N(C)C)cc2)no1 681023179 JMTCRZGGJULVAR-LBPRGKRZSA-N 271.364 3.872 30 20 CHED N#CC1(CCOC(=O)c2cc3cccnc3[nH]2)CCCCC1 840635397 POFXKWWNTNZDQR-UHFFFAOYSA-N 297.358 3.584 30 20 CHED C#CCOc1ccccc1-c1noc([C@H](C)C2CCC2)n1 842491547 LTQFFXDPOODQKN-GFCCVEGCSA-N 282.343 3.652 30 20 CHED O=C1/C(=C/c2nccc3ccccc23)Oc2cc(O)ccc21 740764999 MXFPXHCPDQCDFZ-YVLHZVERSA-N 289.290 3.557 30 20 CHED CCCCCC[C@H](C)NC(=O)N1CCC[C@H](CC#N)C1 851937049 FSDNQLOCLVFHBM-LSDHHAIUSA-N 279.428 3.681 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1c(Cl)c2ccccc2n1C 751157422 LBWZYMGIRNHAFG-GFCCVEGCSA-N 290.750 3.537 30 20 CHED Clc1cc(NN=C2CCC3(CCCO3)CC2)ccn1 853395162 NKWCTBIAZHUHNM-UHFFFAOYSA-N 279.771 3.626 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@H]2CCOc3ccccc32)cc1 752156512 BEVVIBFYRVXXBP-GFCCVEGCSA-N 297.314 3.559 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1Cc1ccccc1C 758887776 HLZKGQZOTJIRMK-SFHVURJKSA-N 298.430 3.515 30 20 CHED C#CCCCCNCc1cccc(Oc2ccccn2)c1 921836690 DMGSDNSEBZXSLS-UHFFFAOYSA-N 280.371 3.767 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Cl)cc2F)c1 920942511 HOHWVVXYMLLQKO-UHFFFAOYSA-N 294.669 3.844 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 929532415 RAQFCCIAXIGFFJ-RHSMWYFYSA-N 287.403 3.961 30 20 CHED FC(F)(F)c1ccccc1C=NO[C@H]1CCCCO1 755813283 DIWMTLSIWKKQLX-LBPRGKRZSA-N 273.254 3.583 30 20 CHED Cc1ccsc1/C=C1\COc2c(F)cccc2C1=O 921265871 DYHVTKLICOLDOV-JXMROGBWSA-N 274.316 3.854 30 20 CHED Cc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)c2cccnc2)cc1 926614345 JAOUCQRUQCWZNT-KFKAGJAMSA-N 291.398 3.761 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C(F)=C1CCCC1 851204377 PTHFVDWQDPIBIL-JTQLQIEISA-N 253.317 3.656 30 20 CHED CCCCCCCCNC(=O)Nc1nnc(C2CC2)s1 754778747 NFONDQFGTIWLDB-UHFFFAOYSA-N 296.440 3.898 30 20 CHED CCC[C@@H](NCc1cc(C#N)ccc1F)c1cccnc1 756734679 YBZZYGJJRLKJRV-QGZVFWFLSA-N 283.350 3.723 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CCCCCCC1 759203613 QZQWNQIYQKJASZ-UHFFFAOYSA-N 262.313 3.502 30 20 CHED CC1(C)CN(Cc2ccc(OCC#N)cc2)c2ccccc21 757854134 AUCZPYBIJKQYLA-UHFFFAOYSA-N 292.382 3.887 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc2c(c1)CCO2 750907324 WICRKISLTJJTLQ-UTCJRWHESA-N 282.314 3.965 30 20 CHED C=CCN(C(=O)C[C@@]1(C)CC1(Cl)Cl)C(C)(C)C 857653712 JXFNBWBFXWBMMK-LBPRGKRZSA-N 278.223 3.774 30 20 CHED CCCCCCCNC(=O)NC[C@H](C)c1ncc(C)s1 858113015 XRMUOJNZOFITHH-LBPRGKRZSA-N 297.468 3.825 30 20 CHED COc1cc(F)cc(NN=C2CCCCCC2)c1 759212521 IHSIJKMTBUIAFP-UHFFFAOYSA-N 250.317 3.956 30 20 CHED Cc1ccc(NC(=O)CON=Cc2ccccc2C)cc1C 852220567 STTCPRBMMOCQFV-UHFFFAOYSA-N 296.370 3.601 30 20 CHED C#CCC(C)(C)C(=O)Nc1nccc2ccc(C)cc12 855094175 WIMRYIKCPFFZID-UHFFFAOYSA-N 266.344 3.531 30 20 CHED Clc1cccc(Cl)c1C=NO[C@H]1CCCCO1 755813409 GCGOTZIGDYPUIR-LBPRGKRZSA-N 274.147 3.871 30 20 CHED CCSc1ccc(CC(=O)Oc2ccc(C#N)cc2)cc1 752472921 CMMOESZRZGLGAO-UHFFFAOYSA-N 297.379 3.818 30 20 CHED CCC(CC)NN=Cc1nc(-c2ccccc2)cs1 755730946 PTWFJPALBVERAJ-UHFFFAOYSA-N 273.405 3.922 30 20 CHED C#CCCN(Cc1cnc(C(C)C)s1)CC(F)(F)F 768533577 GPIIEZKWHTVNHS-UHFFFAOYSA-N 290.354 3.654 30 20 CHED C#CCCCCCc1nc(-c2ccc(F)c(OC)c2)no1 761612367 FFDMVPTXUSAGCC-UHFFFAOYSA-N 288.322 3.620 30 20 CHED CCO[C@H]1CCCC1=NNc1ccc(OC(F)F)cc1 766445944 BFFZJCFPBBQGPB-ZDUSSCGKSA-N 284.306 3.645 30 20 CHED C#CCCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 766896332 RCVSTGAZHIFPCV-OAHLLOKOSA-N 298.213 3.780 30 20 CHED CC[C@H](C)N(CC)C(=O)Nc1ccc(C#N)cc1Cl 930434395 RNCBYPYQXWXLCI-JTQLQIEISA-N 279.771 3.864 30 20 CHED C#CCCCSCC1CCN(C(=O)OC(C)(C)C)CC1 767215535 WNSWKQBDYWOXDE-UHFFFAOYSA-N 297.464 3.780 30 20 CHED C=C1CCN(Cc2ccc(N(CC)CC)cc2)CC1 769337886 IJKDSDZUNSUZSJ-UHFFFAOYSA-N 258.409 3.685 30 20 CHED Cc1cc(C=NNCc2ccc(F)c(F)c2)c(C)s1 760243826 PREPDZRMZDVRJY-UHFFFAOYSA-N 280.343 3.767 30 20 CHED Cc1cc(F)ccc1NN=CC1Cc2ccccc2C1 766452233 DCBHYRFKAROVQT-UHFFFAOYSA-N 268.335 3.947 30 20 CHED CCSCCS[C@@H](C#N)CCc1ccccc1 865363940 FHHMDOBEBJVWQF-CQSZACIVSA-N 265.447 3.998 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)OCC1(C#N)CCC1 768085759 FKRTWWCKDFIZLO-OAHLLOKOSA-N 285.387 3.882 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(Cl)cc1Cl 1116643962 WPTFWBUXEKARCO-ONGXEEELSA-N 274.191 3.845 30 20 CHED C=C(C)CN(CC)S(=O)(=O)/C=C\c1cccc(Cl)c1 768795235 NKRYRLBPMZPGMC-HJWRWDBZSA-N 299.823 3.539 30 20 CHED Cc1cc(/C=C2/CCc3c(O)cccc3C2=O)cnc1Cl 760262113 ARGYVPPVTVRQSJ-WQLSENKSSA-N 299.757 3.962 30 20 CHED C=CCC(CC=C)c1nc(-c2cccn3ccnc23)no1 771429598 OANUXIQRWMBVOM-UHFFFAOYSA-N 280.331 3.620 30 20 CHED COc1ccc(C=NN[C@@H]2CCCCC2(C)C)cc1OC 773125921 RGLDZTZPOAOJJK-MRXNPFEDSA-N 290.407 3.596 30 20 CHED CCN(Cc1ccc2ccc(Cl)cc2n1)[C@@H](C)C#N 878989119 SDMJUIGWWZWKDA-NSHDSACASA-N 273.767 3.622 30 20 CHED Cc1nc(N2CCCCC2)sc1C=NOCCC1CC1 1117736046 XGOJSBQYXRSQJX-UHFFFAOYSA-N 293.436 3.592 30 20 CHED CC[C@H]1CC(=NN[C@H](Cc2ccccc2)C(C)C)CCO1 777448514 PUXRDWMEXGJZRP-ZWKOTPCHSA-N 288.435 3.788 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2cccc(OC)c2)cc1 776775336 HDGLBJGILMPCJH-CQSZACIVSA-N 281.355 3.880 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1cscn1 774133314 CPPXGOBSDYDOMX-DUXPYHPUSA-N 294.719 3.601 30 20 CHED C=CC[C@H](N[C@H](C)c1csc(C)n1)c1ccncc1 772864501 JKHKJLZLZFIGPE-RISCZKNCSA-N 273.405 3.815 30 20 CHED c1ccc2c(c1)NCCCC2=NNc1ccc2[nH]ncc2c1 774408699 HFXMVOXFTLZNRG-UHFFFAOYSA-N 291.358 3.585 30 20 CHED CS[C@@H](C)CCC(=O)O[C@@H](C)c1ccc(C#N)cc1 773790003 ZHAQQPMMDIPWQJ-RYUDHWBXSA-N 277.389 3.694 30 20 CHED C=CCCC[C@@H](NCCC1(CO)CC1)c1ccccc1 883226535 AFLBRRKLZDGLRW-QGZVFWFLSA-N 273.420 3.836 30 20 CHED Cc1cc(N(C)C)ccc1CN[C@H](C)c1cccc(C#N)c1 776155888 JBWGPVUZXRPUIT-OAHLLOKOSA-N 293.414 3.784 30 20 CHED CC(C)(C)c1csc(NC(=O)N2CC=CCC2)c1C#N 888222117 DEPKRWVGMWXWIS-UHFFFAOYSA-N 289.404 3.711 30 20 CHED S=C(NN=C1CC2(CCC2)C1)Nc1cccc(Cl)c1 772836621 BVWJABCGAVXUGH-UHFFFAOYSA-N 293.823 3.947 30 20 CHED C#CC[C@@H](NCCc1ccc(C)cc1)c1ccccc1 775401409 TZAVKXXGKLAMLQ-LJQANCHMSA-N 263.384 3.892 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N(C)[C@@H](C)CC#N 1121188730 IPEIJWPPKRQNMZ-DZGCQCFKSA-N 252.402 3.744 30 20 CHED CCSc1ccccc1CC(=O)O[C@H](CC)CC#N 1122988437 BUUHAXBYIVAKRH-CYBMUJFWSA-N 277.389 3.577 30 20 CHED C=CCC[C@H](OC(=O)c1csc(C#N)c1)C1CC1 1122651191 ZFYNWSWFMKUIAA-ZDUSSCGKSA-N 261.346 3.521 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2c(C=O)c[nH]c2c1 1120734565 ZGWUYIMOFBURAU-OAHLLOKOSA-N 296.370 3.551 30 20 CHED CC(CCc1cccc(C)c1)=NN[C@H](CO)c1ccccc1 788469237 PSXDJDAJMXFNKD-LJQANCHMSA-N 296.414 3.627 30 20 CHED C[C@@H](OC(=O)c1c[nH]c2ccccc12)c1cccc(C#N)c1 782619323 ISPYFVIHXSGJKA-GFCCVEGCSA-N 290.322 3.958 30 20 CHED C=C1CCC(C(=O)Nc2nc3c(cc2C#N)CCCC3)CC1 889845057 HQLHNHPACPMISK-UHFFFAOYSA-N 295.386 3.517 30 20 CHED CC(CCc1cccc(C)c1)=NNCCc1ccncc1 789086345 UBVTZIXBPUGPFC-UHFFFAOYSA-N 281.403 3.531 30 20 CHED OC[C@H](NN=C1CCC[C@H]1c1ccccc1)c1ccccc1 788469857 SMRPCBOJTRDPGZ-HKUYNNGSSA-N 294.398 3.633 30 20 CHED C#Cc1cncc(C(=O)N(c2ccccc2)[C@@H](C)C(C)C)c1 894226236 OUNROGPWEFQERU-HNNXBMFYSA-N 292.382 3.754 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1SC(C)C 789837913 GLAALXWKFOFZSH-SNVBAGLBSA-N 296.823 3.984 30 20 CHED C[C@H]1CN(Cc2ccc(CC#N)cc2)Cc2ccccc21 784123841 GOBCHHSCWQBDRR-HNNXBMFYSA-N 276.383 3.872 30 20 CHED CCCCCC[C@@](C)(CCC)C(=O)NCCC#N 787627824 PEURCXRBOVKWMX-OAHLLOKOSA-N 252.402 3.793 30 20 CHED Cc1cc(COC(=O)Cc2ccc(Cl)cc2)ccc1C#N 782022486 VQZRBXGTTDGKBC-UHFFFAOYSA-N 299.757 3.806 30 20 CHED C=CCC1(O)CCN(C(=O)CC2CCC(C)(C)CC2)CC1 899591238 URBCELUHVFIHTK-UHFFFAOYSA-N 293.451 3.523 30 20 CHED C=CCC(F)(F)c1nc(-c2cc(C)cc(OC)c2)no1 897060355 XCUBICCBSKQZNT-UHFFFAOYSA-N 280.274 3.722 30 20 CHED CC[C@@H]1CCC[C@H](C=Nn2c(C)nc3ccccc3c2=O)C1 783789250 OSTFSYLCVAQKHC-CABCVRRESA-N 297.402 3.755 30 20 CHED N#C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C1CCCC1 893705873 YZYVMAXMLMPUAB-CYBMUJFWSA-N 297.185 3.806 30 20 CHED C=C1CC(c2noc(-c3ccc(OC(F)F)c(F)c3)n2)C1 896876935 MOFTVKCQVMMKNF-UHFFFAOYSA-N 296.248 3.911 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cnn(C)c1C1CC1 894923051 GRCWPRHEOMVVII-GOSISDBHSA-N 295.430 3.575 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)o1 794246478 LHRPJGBJAYHMGL-GXTWGEPZSA-N 288.391 3.734 30 20 CHED CC(C)Cc1ccccc1C(=O)N1CCC(CC#N)CC1 790864032 CPJNZBGWXFRPDS-UHFFFAOYSA-N 284.403 3.651 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc2c(c1)CCCC2 792521702 RIYVCQXMAVVKIJ-UHFFFAOYSA-N 284.403 3.577 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccsc1 165285532 VRXKXZHRGNOBQT-LBPRGKRZSA-N 256.374 3.779 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNc1nc(-c2ccncc2)no1 797402723 MAOLINJUBIJOEJ-RYUDHWBXSA-N 299.378 3.746 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(C)c1Br 393844772 YZJMJUZKAFXLSX-LLVKDONJSA-N 296.208 3.842 30 20 CHED C=C(Cl)CN[C@@H](C)c1nc(C(F)(F)F)cs1 274579133 IMMDLNVCSHZTPY-LURJTMIESA-N 270.707 3.565 30 20 CHED FCC[C@H]1CCCC1=NNC(=S)Nc1ccccc1F 794864698 DKQWUEWMAUUAAR-SNVBAGLBSA-N 297.374 3.628 30 20 CHED Fc1cncnc1NN=Cc1ccc(-c2ccccc2)cc1 793210564 JXQDLHLACSHJLQ-UHFFFAOYSA-N 292.317 3.729 30 20 CHED CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1ccc(OCC#N)cc1 797582338 NWHKPCWNPFPDMQ-QGPMSJSTSA-N 286.419 3.893 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1cc(C)ccc1C 796462891 OSKWIGPNHPQDOA-UHFFFAOYSA-N 274.360 3.632 30 20 CHED Cc1ccc(C=NN[C@H](C)C(C)(C)C)c(-c2ccnn2C)c1 793115321 QYWGIDVVWJMSMZ-CQSZACIVSA-N 298.434 3.754 30 20 CHED C[C@@H](NN=C1CCC[C@@H]1c1ccccn1)C(C)(C)C 793115818 PFXCETIQOHUBRX-CHWSQXEVSA-N 259.397 3.729 30 20 CHED C=C(C)CCOC(=O)CCSCc1ccccc1 796734578 NTDJHRFHQQJKCQ-UHFFFAOYSA-N 264.390 3.819 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1cc(C)sc1C 796461455 HTZGSTLWTDOVDW-UHFFFAOYSA-N 280.389 3.693 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc([N+](=O)[O-])o1 799493608 IWWGJTSGMQLZNC-UHFFFAOYSA-N 273.292 3.505 30 20 CHED CC(=NNCCC(F)(F)F)c1cccc(C(F)(F)F)c1 794547728 KJPXAMDDYHXTAV-UHFFFAOYSA-N 298.230 3.971 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1cccc(C)c1)c1ccco1 796835071 KAYBBXRODONQTG-IAGOWNOFSA-N 285.387 3.919 30 20 CHED C=CCCCCCN1CCC[C@@H]1C[C@H](O)c1ccco1 193390015 PGPHENBPESBZSQ-CVEARBPZSA-N 277.408 3.914 30 20 CHED COc1c(C)cc([C@H](C)NCCCC#N)cc1Cl 796931523 DMENGMLVKJPSIY-NSHDSACASA-N 266.772 3.611 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNc1nccnc1Cl 797403065 YEXMEVRIETVHAZ-VHSXEESVSA-N 266.776 3.744 30 20 CHED FC(F)(F)CCNN=C1CCC[C@H]1Cc1ccccc1 794553815 ZXAZEUJFPYLVHQ-ZDUSSCGKSA-N 284.325 3.927 30 20 CHED CSc1ccc(COc2cc(F)cc(C#N)c2)cc1 588831553 QPIGRUMLQCWPSQ-UHFFFAOYSA-N 273.332 3.998 30 20 CHED N#Cc1ccc(NCCCC(F)F)c(Br)c1 688770909 MVWITLUTVDPFMW-UHFFFAOYSA-N 289.123 3.778 30 20 CHED C#CCCCN1CCCC[C@@H]1c1nc2ccccc2o1 766920825 GSRYGPLCXABOCL-OAHLLOKOSA-N 268.360 3.768 30 20 CHED C=CCN(Cc1cc(OC)ccc1Cl)C(C)C 792206586 PDIGMJAWZSMHCA-UHFFFAOYSA-N 253.773 3.745 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccnc(C#N)c2)C1 1162626352 QZZLYCUSRWXVBF-YVEFUNNKSA-N 281.334 3.680 30 20 CHED CCC[C@@H](CNc1ncc(Cl)c(C)c1C#N)OCC 1163801482 HMOOWJFIEFFFEH-NSHDSACASA-N 281.787 3.532 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@H](C2CCCCC2)C1 1231620355 WWODVNWJCJYZPG-KRWDZBQOSA-N 298.430 3.969 30 20 CHED CCN(CCCC(C)(C)C#N)Cc1ccccc1F 1318952634 DPLYGERZDMQERL-UHFFFAOYSA-N 262.372 3.978 30 20 CHED COc1cccc(O)c1/C=N\Cc1cccc(C(F)F)c1 1320493707 FMDBMHBZYSRFCN-GRSHGNNSSA-N 291.297 3.958 30 20 CHED CCN(Cc1ccc(C#N)s1)c1ccc(OC)cc1 1329868753 BEYSJUKLICXVHI-UHFFFAOYSA-N 272.373 3.655 30 20 CHED CC(=NNc1ccn(C)n1)c1ccc(Cl)c(Cl)c1 1321825806 QITRTZPKXYQYNC-UHFFFAOYSA-N 283.162 3.563 30 20 CHED Cc1cccc2sc(C(=O)O[C@H](C)C#N)c(Cl)c12 1322160169 YQZWBWQWTRYNRO-MRVPVSSYSA-N 279.748 3.932 30 20 CHED C=CCC1(c2nnc(-c3cccc(N(C)C)c3)o2)CCC1 1326539247 SGLFPNDFEKFSKR-UHFFFAOYSA-N 283.375 3.800 30 20 CHED CSc1ccccc1C(C)=NNc1ccc(F)cn1 1325160308 YYPOAQWTGIYCSV-UHFFFAOYSA-N 275.352 3.779 30 20 CHED COc1ccc(CNc2cc(F)cc(C#N)c2)c(C)c1 1656786188 SXJCMIHEQXYIQD-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#CCc1cccc(-c2nnc(CCc3ccccc3)o2)c1 1322390038 GVAPZFJMVQVFAR-UHFFFAOYSA-N 289.338 3.588 30 20 CHED CC(C)Cc1nnc(C(C)(C)c2cc(F)cc(C#N)c2)o1 1327331348 MJRCOYYFHMGAQL-UHFFFAOYSA-N 287.338 3.605 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(Sc2ccccc2)CC1 1256512983 CNUYIWQAHGQYQH-CYBMUJFWSA-N 275.417 3.782 30 20 CHED C#C[C@@H](NC(=N)Nc1ccccc1C)c1ccc(Cl)cc1 1333055452 JKGPZBKMQLNPMH-OAHLLOKOSA-N 297.789 3.959 30 20 CHED N#Cc1cc(-c2nc(CCCc3ccccc3)no2)cs1 1332042550 DLZWQWWAMXFLPG-UHFFFAOYSA-N 295.367 3.845 30 20 CHED C[C@H](NCCCCC1(C#N)CCC1)c1cccc(O)c1 1333486914 QTRVUYPTOAPOPL-AWEZNQCLSA-N 272.392 3.907 30 20 CHED CC(C)N(CCOc1ccccc1C#N)c1cccc(F)c1 1196284918 GWTHDNFVAXLABJ-UHFFFAOYSA-N 298.361 3.991 30 20 CHED CC[C@@H](C)c1nnc(/C=C\c2ccccc2C#N)o1 1345855421 OLHCEAQGUVEEHH-TYBABMIJSA-N 253.305 3.625 30 20 CHED Cc1ccccc1Cc1noc(-c2cccc(C#N)c2C)n1 1340672619 KBWSPBZFMAFAND-UHFFFAOYSA-N 289.338 3.816 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1ccccc1C#N 1349673870 QOCFTGNIUIHGPO-CYBMUJFWSA-N 264.328 3.609 30 20 CHED CC(C)(C)c1ccc(NN=C2CCC[C@H]2CCF)nn1 1340938036 IJCKDDCEJPTQEH-NSHDSACASA-N 278.375 3.702 30 20 CHED C#C[C@@H](CC)OC(=O)c1nc(-c2ccccc2)oc1C1CC1 1344029410 MBWYPCKMKWGJQX-AWEZNQCLSA-N 295.338 3.788 30 20 CHED C[C@@H]1CCN(CCCCC2(C#N)CCC2)CCS1 1351399727 PWJBNDVMENXXOA-CQSZACIVSA-N 266.454 3.678 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H](C)c1ccccc1F 1435772217 KMVPBIZMCIQFEN-NSHDSACASA-N 299.301 3.624 30 20 CHED N#Cc1ccccc1NC(=O)c1cc(-c2ccccc2)ccn1 1529991539 HDUJBYCUCGATMT-UHFFFAOYSA-N 299.333 3.873 30 20 CHED N#CC[C@H](C(=O)Nc1cc(F)cc(F)c1)c1ccccc1 1525193533 UPCFGYMJHWEHHO-HNNXBMFYSA-N 286.281 3.601 30 20 CHED CCCN(CC1CCCCC1)C(=O)C1(C#N)CC(C)C1 1291973941 QWCLXCHAHOECQT-UHFFFAOYSA-N 276.424 3.745 30 20 CHED C=CCCOCCN[C@@H](C)c1cc(C)c(C)cc1C 222444723 ALAGWVGDADVWKU-INIZCTEOSA-N 261.409 3.855 30 20 CHED C=C(CC)C(=O)Nc1ccccc1COC(C)(C)C 1522162153 RVCOMEALATVFIN-UHFFFAOYSA-N 261.365 3.906 30 20 CHED O=C(O)c1ccc(NN=C[C@H]2CCCSC2)cc1Cl 1602382688 WKEXEQUQPHYGRY-SECBINFHSA-N 298.795 3.579 30 20 CHED O=C(O)CC1CC(=NNc2ccc(Cl)c(Cl)c2)C1 1610762005 PFCJHSLOVFPIFD-UHFFFAOYSA-N 287.146 3.646 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1cc(F)c(C#N)c(F)c1 1565803790 RQNIVGBLZVNAJA-JTQLQIEISA-N 294.345 3.781 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@H]1CCCC[C@H]1C 229149293 MOWCLGDILMXFTE-DYVFJYSZSA-N 256.393 3.877 30 20 CHED C=C(Cn1c(C)nnc1N(CC)CC1CC1)c1ccccc1 1749242053 ACMSYDCWFVNYAB-UHFFFAOYSA-N 296.418 3.536 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1ncc(C#N)cc1F 1650967144 JSNOBZZZSTWNKB-JYRVWZFOSA-N 281.334 3.632 30 20 CHED CCCc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)s1 1584264844 UYDRERFXEBMZQN-UHFFFAOYSA-N 288.347 3.964 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](C)C1 1652159093 UCZOPQZFQQNFAI-TZMCWYRMSA-N 258.365 3.948 30 20 CHED Cc1ccccc1CCCN1CCc2ccc(C#N)cc21 1658109576 PZVKEPZARHDDQZ-UHFFFAOYSA-N 276.383 3.862 30 20 CHED CC(C)CC[C@@H]1CCCCN1Cc1cccc(C#N)n1 1651883174 OFDAAQAKVMHCBD-KRWDZBQOSA-N 271.408 3.744 30 20 CHED Cc1nc(C#N)cc(N2CCCC3(CCCCC3)CC2)n1 1651749941 UPVYSKFSKRUUKC-UHFFFAOYSA-N 284.407 3.598 30 20 CHED Cc1ccc(C)c([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)c1 1654032383 OBFMPHFBEVPGNB-HNAYVOBHSA-N 294.398 3.559 30 20 CHED CCN(Cc1ccc(Cl)cc1)CC1(CC#N)CC1 1657106671 ABVZRPBJIKBYIV-UHFFFAOYSA-N 262.784 3.856 30 20 CHED CCc1ccc2c(c1)CN(Cc1ccc(CC#N)cc1)CC2 1660720487 IZHFFFZGDACARJ-UHFFFAOYSA-N 290.410 3.873 30 20 CHED C=C[C@H](N[C@](C)(Cc1ccc(Cl)cc1)C(C)C)C(=O)O 1588693236 UNHDSCJIRFZWKZ-GOEBONIOSA-N 295.810 3.526 30 20 CHED CC(C)[C@@]1(C)C[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1667341145 BXCLVZVRCPARNF-UKRRQHHQSA-N 291.782 3.768 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cc2[nH]c(C(=O)O)cc2o1 1777465352 XDCBAYRLVQVAHI-VOTSOKGWSA-N 295.294 3.664 30 20 CHED Cc1ccsc1/C=C1/C[C@@H](C(=O)O)c2ccccc2C1=O 1777477368 BSMIVXOWUOJRIK-RBJHHQRMSA-N 298.363 3.895 30 20 CHED C=CCCC1(C(=O)O)CCN(CC[C@@H](C)CC)CC1 1776173128 CPMLWABRSZSRHG-AWEZNQCLSA-N 267.413 3.556 30 20 CHED C=C(C)CCCN(CCC(=O)O)Cc1ccc(F)c(F)c1 1776138547 CDGRIBAPTUWNGW-UHFFFAOYSA-N 297.345 3.598 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1ccc2c(c1)CCO2 14202570 ILTMENLEPMAQJV-AATRIKPKSA-N 286.277 3.796 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccc(OC)cc2)cc1 150996973 VNQLJZXXLYUHHJ-HNNXBMFYSA-N 295.382 3.558 30 20 CHED CC[C@H](C(=O)N[C@H](C#N)c1ccccc1F)c1ccccc1 161450526 BVMBYDXWTCRQIG-WMLDXEAASA-N 296.345 3.700 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccc(F)c(C#N)c2)n1 158023601 SUYJEFOHMMBQBU-UHFFFAOYSA-N 297.358 3.873 30 20 CHED C=CCN(CC=C)Cc1ccccc1OCc1ccccn1 158129971 RVULWWZNUGLTJZ-UHFFFAOYSA-N 294.398 3.835 30 20 CHED CCOCCCNc1nc(-c2cccc(C#N)c2)cs1 158346176 DKOIBFHCYZKJRW-UHFFFAOYSA-N 287.388 3.520 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)CCOC)cc1 152771131 BFSVRISNNQIBBY-UONOGXRCSA-N 297.826 3.894 30 20 CHED C=C[C@@H](CC(=O)Nc1ncc(C)s1)c1ccccc1 155648140 GHOBJDNFDMNVLT-LBPRGKRZSA-N 272.373 3.750 30 20 CHED C[C@@H](NC(=O)Nc1ccsc1)c1ccc(C#N)cc1 157139532 MIFQRUMDOBOCDW-SNVBAGLBSA-N 271.345 3.502 30 20 CHED COC(=O)c1ccc(CSCc2ccccc2C#N)cc1 25222097 FMUSEIKYJKOCRQ-UHFFFAOYSA-N 297.379 3.778 30 20 CHED Cc1ncsc1CN(C)CCCCC(C)(C)C#N 234273027 MZRNIROWGKJYDO-UHFFFAOYSA-N 265.426 3.603 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H]1CCC[C@@H](C)C1 130425894 YOMPBGXUAFQHDP-CZUORRHYSA-N 272.392 3.577 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1 24498859 PZGZWNFBBYNGIE-UHFFFAOYSA-N 290.366 3.996 30 20 CHED Cc1ccc(C#N)cc1N[C@@H](C)c1cccc(C#N)c1 50429983 RIRLEWBQFBPEQM-ZDUSSCGKSA-N 261.328 3.911 30 20 CHED C[C@H]1CCCC[C@@]1(C)NCc1cccc(C#N)c1F 308697141 GDYCNCVASOJBMS-BLLLJJGKSA-N 260.356 3.756 30 20 CHED CC[C@H](CC#N)NC(=O)C1(c2cccc(Cl)c2)CCC1 613037393 KZRNAWHBXVKYJV-CQSZACIVSA-N 290.794 3.570 30 20 CHED CC(C)[C@H]1CCC[C@@H](NCCc2cccc(C#N)c2)C1 466421078 JFKPHRUDCZPHEU-ZWKOTPCHSA-N 270.420 3.905 30 20 CHED N#Cc1ccnc(N2CCCC3(CCCC3)C2)c1Cl 342964686 KIUUHIAEMLEZMW-UHFFFAOYSA-N 275.783 3.767 30 20 CHED C=CCCCCNC(=O)N(CC)Cc1ccccc1 472847341 JGKJNDIWTRKPGX-UHFFFAOYSA-N 260.381 3.574 30 20 CHED N#Cc1ccc(OCc2cccnc2C(F)(F)F)cc1 704186377 HGBWZFKTRIRTMX-UHFFFAOYSA-N 278.233 3.551 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1ncc(C#N)cc1Cl 361288293 MZCQVUPCYFTYJK-ZJUUUORDSA-N 251.761 3.843 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@H](C2CCCCC2)C1 598470807 SMKXWUZOSKXZKN-RDJZCZTQSA-N 276.424 3.745 30 20 CHED CCCCCCCC(=O)N1CCNc2ccccc21 386608365 WCZWNMAEDYFCAB-UHFFFAOYSA-N 260.381 3.806 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1C(F)(F)F 6295666 GSIAMUGRTSCNNL-UHFFFAOYSA-N 284.281 3.911 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc2ncccc2c1 103439933 BYHROAUOYDTFJU-UHFFFAOYSA-N 295.386 3.637 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](C)c1ccccc1F 102603208 MWCBMKSKWNVKFK-ZDUSSCGKSA-N 261.340 3.520 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 56817256 DJNLBHNMKQUMRW-YOEHRIQHSA-N 299.418 3.526 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(Br)cc1C 116998023 MBNUHTXHEDNOGC-JTQLQIEISA-N 297.196 3.844 30 20 CHED CC(C)[C@H](CNCc1cc(C#N)cs1)c1cccnc1 177596600 RCDWDGXLZIYLIQ-INIZCTEOSA-N 285.416 3.544 30 20 CHED C=C(C)CNC(=S)Nc1c(CC)cccc1CC 57737078 UPIZCCKVXHTSMT-UHFFFAOYSA-N 262.422 3.674 30 20 CHED CCCCC1CCC(NC(=O)NCCCCC#N)CC1 170885484 ADWQWFIXSLKYFX-UHFFFAOYSA-N 279.428 3.728 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccs1 58453515 PMZQTQOMKHCBNT-NSHDSACASA-N 285.372 3.811 30 20 CHED C#CCCCCC(=O)Nc1nnc(C(CC)CC)s1 179810201 GLHPOOVPUUCYHA-UHFFFAOYSA-N 279.409 3.574 30 20 CHED CC[C@@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 50212878 GZCMZEOUQSODRH-MRXNPFEDSA-N 278.355 3.999 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccc(C)c1 116971717 XJBUEBQPHVTFSO-GDBMZVCRSA-N 272.392 3.806 30 20 CHED Cc1cc(C#N)ccc1Oc1nc2cc(F)ccc2o1 114448966 GMQOSPFNCXQAKO-UHFFFAOYSA-N 268.247 3.939 30 20 CHED C=CCN(Cc1cccc(O)c1)Cc1cccs1 119941811 XJPOIBGHOVXZJH-UHFFFAOYSA-N 259.374 3.642 30 20 CHED N#C[C@H](C(=O)c1cc2ccc(F)cc2s1)c1ccccn1 107793870 PDBNAMJXHHXUNX-LBPRGKRZSA-N 296.326 3.925 30 20 CHED C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 108812766 YCJQAIFRKSTINR-XWIAVFTESA-N 292.382 3.704 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1cccc2ccccc12 23676629 DCCNSLXGMHLSQP-HUUCEWRRSA-N 277.371 3.934 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1cc(C#N)ccc1C 58453647 SPXIIXYBUZGFLB-UHFFFAOYSA-N 293.370 3.839 30 20 CHED CCC1(CC)CCN(C(=O)Cc2ccc(C#N)cc2)CC1 110617087 ZLNBGESZTSDJAU-UHFFFAOYSA-N 284.403 3.530 30 20 CHED Cc1ccc(CN(C(=O)NCCCCC#N)C(C)C)s1 171448903 VFBVXKAABNUNQA-UHFFFAOYSA-N 293.436 3.670 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 115972630 UHBUCGNGZXNRGT-QWHCGFSZSA-N 298.292 3.579 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)CCc2ccoc2)n1 175982708 NDOSDHYIUMIQSN-GFCCVEGCSA-N 288.372 3.669 30 20 CHED C=CCOCCCC(=O)N1CCCCC[C@H]1c1ccco1 173617523 ZVRPREAAJFDBKZ-HNNXBMFYSA-N 291.391 3.706 30 20 CHED CCC1(CC)CN(Cc2cccc(C#N)c2)CCS1 464576015 CTJHXUGJBHRAID-UHFFFAOYSA-N 274.433 3.666 30 20 CHED CCCC1(C/N=C(/N)Nc2ccc(OC(C)C)cc2)CC1 305043443 AFPSQQLVBCCBDR-UHFFFAOYSA-N 289.423 3.781 30 20 CHED Cc1c(C(=O)/C=C/c2cccs2)cnn1-c1ccccn1 176850419 MXLZHGNAUINYBQ-BQYQJAHWSA-N 295.367 3.533 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NCCCC(C)(C)COC 1346355174 RKXJATXYXUJMGN-OAHLLOKOSA-N 296.455 3.579 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1c(F)cccc1Cl 301489647 LLRRHXCUDUMOIN-SECBINFHSA-N 275.714 3.919 30 20 CHED CC1(C)Cc2cccc(C(=O)Nc3ccccc3C#N)c2O1 1264116075 UNAWSALKDICUDA-UHFFFAOYSA-N 292.338 3.524 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@H]2Cc2ccccc2)nc1 301359828 LUMNOGDMVMWZOZ-DLBZAZTESA-N 277.371 3.777 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C)cc2OC)c1 24717871 CKZDPLXVZRRESL-CSKARUKUSA-N 282.339 3.908 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Nc2ccccc2)C1 118396806 UDGGDDWDSHPPSI-BEFAXECRSA-N 291.398 3.806 30 20 CHED COC(=O)c1ccc(CSc2ccccc2C#N)s1 176754822 WSKAQSPWDHSJCA-UHFFFAOYSA-N 289.381 3.699 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCC(F)(F)F 173891446 JLZQQGUNDXOWNQ-UHFFFAOYSA-N 285.309 3.586 30 20 CHED Cc1cc(C)cc(N/C(N)=N/Cc2cc(F)ccc2F)c1 304740500 BQUQDDAUUQSYII-UHFFFAOYSA-N 289.329 3.508 30 20 CHED N#C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1 176081825 FXYLHKIIBUZOGO-SQNIBIBYSA-N 291.350 3.789 30 20 CHED Oc1nc2ccccc2cc1/C=N/C[C@@H]1CC=CCC1 121236719 DOKSFQZMEFEFEM-RNEAKCBISA-N 266.344 3.716 30 20 CHED C=CCCCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 175353334 MXJLKAUBDFWZID-MRXNPFEDSA-N 289.375 3.539 30 20 CHED C[C@@H](OC(=O)c1cccc2cc[nH]c12)c1ccc(C#N)cc1 176667038 GHHICAYEFMJCAY-GFCCVEGCSA-N 290.322 3.958 30 20 CHED CCN(CCc1c(F)cccc1Cl)C[C@H](C)C#N 125595812 RWSLHSKTMMBOHD-LLVKDONJSA-N 268.763 3.503 30 20 CHED CCc1ccc(/C=N/OCc2c(CC)noc2C)cc1 122501672 KWZIDHSRVPDNCQ-LICLKQGHSA-N 272.348 3.659 30 20 CHED C=C[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 301847671 BVDRVTNUSLXJDO-NSHDSACASA-N 269.304 3.643 30 20 CHED Cc1ccc(N/C(N)=N/Cc2c(C)cc(C)cc2C)cc1 303899330 ROCDULSQAINGGJ-UHFFFAOYSA-N 281.403 3.847 30 20 CHED N#Cc1cccc(Cl)c1NCc1ccc(F)cc1 301200720 MPWAFUKAPOLHIQ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 183813272 MNGPUZLLRMLFIZ-OLMNPRSZSA-N 292.382 3.752 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC(C)(C)c2ccccc21 185900839 GGOQYUWSETZYBO-MRXNPFEDSA-N 269.388 3.719 30 20 CHED Cn1c(C(C)(C)NCCCC(C)(C)C#N)nc2ccccc21 186565542 MUDDNEPLRUJLFE-UHFFFAOYSA-N 298.434 3.728 30 20 CHED Cc1ccnn1-c1ccccc1N[C@H]1CCC[C@@H](C#N)C1 185897782 AQYYWBYZQWLHCU-CABCVRRESA-N 280.375 3.675 30 20 CHED CC#CCSc1nnc(-c2ccccc2F)n1C1CC1 123648175 HQRTWWYCJPKDEM-UHFFFAOYSA-N 287.363 3.535 30 20 CHED Cc1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1F 182324146 PDDLZQGAVOKHHF-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(O)c(C)c1)c1ccccc1 187083634 DRLNZOCRLAZSFK-MRXNPFEDSA-N 281.355 3.999 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OCC)cc1C 187844438 AGYHPAKPSOQTLR-INIZCTEOSA-N 261.365 3.935 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc2cnccc12 73079753 HOBOSYUXCDBJAY-UHFFFAOYSA-N 295.386 3.637 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCCCCC#N)CC3 180429785 RSWOSJXNUPUUGJ-AWEZNQCLSA-N 281.403 3.617 30 20 CHED CCCC[C@H]1CCC[C@H]1NCCCSCC#N 184706445 AJPNQZARPZKMOT-UONOGXRCSA-N 254.443 3.582 30 20 CHED CCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 35054089 FQSNBXDDTOOWTK-AWEZNQCLSA-N 280.371 3.808 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1c(F)cccc1F 182863885 MEKSVIOMFRLORZ-UHFFFAOYSA-N 299.386 3.623 30 20 CHED C=CCSCCN[C@H](C)[C@@H](C)c1ccc(OC)cc1 180454767 HTVPXNYLWLCRRZ-ZIAGYGMSSA-N 279.449 3.696 30 20 CHED N#CCCCSc1nnc(C2CC2)n1Cc1ccccc1 72099173 POBHPJOZAYBJFX-UHFFFAOYSA-N 298.415 3.600 30 20 CHED N#Cc1ccc(CCC(=O)NCCC2=CCCCCC2)cc1 186009613 KKTAULTZLAHVDP-UHFFFAOYSA-N 296.414 3.888 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 217039136 QXFAAGUXZSORAO-XFSBKJJWSA-N 288.690 3.539 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CCCCC(F)(F)C2)n1 488425860 BYSWNHSPDJCVSW-GFCCVEGCSA-N 279.334 3.889 30 20 CHED CCc1nnc(NC[C@H]2CCCC[C@@H]2C)c(C#N)c1CC 124945714 IDGCTAVRITZGPY-QWHCGFSZSA-N 286.423 3.711 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)CCCc1cccs1 416016781 ILUVXLOEVPINCG-UHFFFAOYSA-N 296.395 3.532 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 75299801 PUJFLWXXERPTBF-HZPDHXFCSA-N 294.354 3.500 30 20 CHED CN(Cc1ccc(C#N)cc1)c1cccc(Cl)c1C#N 503082866 BEIBQLDVGSRYGG-UHFFFAOYSA-N 281.746 3.720 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc(C)ccc1Cl 189430218 LEFDXIMEPBDIEQ-HNNXBMFYSA-N 281.783 3.816 30 20 CHED CC(=O)Nc1cccc([C@H](C)NCC(C)(C)CCC#N)c1 229672129 SUKXRXZZYXDGNQ-ZDUSSCGKSA-N 287.407 3.626 30 20 CHED C=CC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 522554138 JSSWUXLWDHIYLQ-UHFFFAOYSA-N 280.755 3.646 30 20 CHED C[C@@H](CC(=O)N(C)[C@H](C)C#N)c1cccc(C(F)(F)F)c1 410883042 KZTUXUSWQMEBFZ-WDEREUQCSA-N 298.308 3.569 30 20 CHED C=CCCN1CCC[C@H](c2nc3ccccc3o2)C1 132517918 BAUFOVZIHWCJGM-ZDUSSCGKSA-N 256.349 3.583 30 20 CHED C[C@H]1CN(c2ncc(C#N)cc2F)CC[C@H]1c1ccccc1 413174778 QIKYSLSETZEKRN-XJKSGUPXSA-N 295.361 3.722 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(Cl)c(F)c2)C1 612407118 YTIWBLJBXAMJBI-CQSZACIVSA-N 266.747 3.605 30 20 CHED C[C@@H]1CCC[C@H](C(O)=Nc2cccc3c2CN=C3O)C1 329266450 HJTHPXDNVHGDIH-MNOVXSKESA-N 272.348 3.919 30 20 CHED CCOc1cccc([C@@H](C)Nc2ccc(C#N)cn2)c1 49469424 XTIKGYDKAMPEQR-GFCCVEGCSA-N 267.332 3.525 30 20 CHED C=C(C)CSc1nncn1-c1ccc(C)c(Cl)c1 47821949 XNKATJHGTVYNKR-UHFFFAOYSA-N 279.796 3.897 30 20 CHED C=CCCC(=O)CSc1nnc(-c2ccc(C)cc2)o1 134663701 WCYAZJKDNOHRII-UHFFFAOYSA-N 288.372 3.672 30 20 CHED CC(C)c1scnc1N=C(O)[C@H]1CCC(=O)[C@@H](C)C1 329578005 KLTVDAIEEITBAO-UWVGGRQHSA-N 280.393 3.860 30 20 CHED C=CCOc1ccccc1C(=O)Oc1ccc(C)cc1 136983373 UVFMAYQPWCCDNW-UHFFFAOYSA-N 268.312 3.779 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CC[C@H](C)c1ccccc1 137016621 LXEARALVAZKRFX-WMLDXEAASA-N 272.392 3.625 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CCC[C@H]1C 425522784 BMIFQPXGAABUQS-KEYYUXOJSA-N 299.418 3.697 30 20 CHED C=CCCC(=O)CSc1nc2ccccc2nc1C 134736656 JRRQFARYMBRIBW-UHFFFAOYSA-N 272.373 3.566 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)c1cccc(CC#N)c1 42392576 XPQMODNTIFNVOD-CQSZACIVSA-N 278.355 3.586 30 20 CHED C=C[C@H](CC(=O)N1CCS[C@@H](C)CC1)c1ccccc1 191390850 PCCNCFOUILBFDK-LSDHHAIUSA-N 289.444 3.700 30 20 CHED C=CCNC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 86964600 KSWVGUCOPDHTJJ-UHFFFAOYSA-N 275.348 3.778 30 20 CHED C#CC[C@H](C)OC(=O)c1cccc(-c2nc(C)cs2)c1 83785190 MIMSWVGBHSDAAF-LBPRGKRZSA-N 285.368 3.687 30 20 CHED Cc1cc(C(=O)N[C@H](C)CC#N)c(C)n1C1CCCCC1 194653719 RATKRNBKHRDMLW-GFCCVEGCSA-N 287.407 3.642 30 20 CHED Cc1c(C(=O)N2CC[C@H](C)C2)sc2ccc(C#N)cc12 336318208 FCCQWJFQUHFUQF-JTQLQIEISA-N 284.384 3.563 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1C 194584380 YNIUGNDQORJAAG-BBRMVZONSA-N 285.391 3.909 30 20 CHED CC(C)C1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 334983208 ZDZWDOLNZQEDGR-UHFFFAOYSA-N 285.391 3.653 30 20 CHED CC(C)c1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 427902619 FUZCGTJXAJLCBM-UHFFFAOYSA-N 299.761 3.982 30 20 CHED C=CCCOCCN[C@@H](C)c1cc2ccc(C)cc2o1 426062040 WHHGFJMASJVKEB-AWEZNQCLSA-N 273.376 3.985 30 20 CHED N#Cc1ncccc1N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 428363426 ZBKYWAAIXLEIGL-GDBMZVCRSA-N 299.761 3.549 30 20 CHED Cc1cc(C(O)=Nc2ncc(C(C)(C)C)s2)co1 331275837 IROLOWWTJNZIDX-UHFFFAOYSA-N 264.350 3.978 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(Cc3ccc(C#N)cc3)n2)C1 230997503 GNWJEMWKCSRVRS-IUODEOHRSA-N 281.359 3.826 30 20 CHED COc1ccc2cc(C(=O)/C=C\c3csnn3)ccc2c1 97147172 NBQSPCDATBMRGM-ALCCZGGFSA-N 296.351 3.596 30 20 CHED C=CCN(C(=O)N[C@H](CC(F)F)c1ccccc1)C1CC1 422263593 PPNONMWULUCMAV-CQSZACIVSA-N 294.345 3.743 30 20 CHED C=CCCN[C@H](C)c1ccc(OCCC)c(OC)c1 338566009 OSRCCYMFNMCZPR-CYBMUJFWSA-N 263.381 3.711 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2ccc(O[C@H](C)C#N)cc2)C1 237582074 JNNAQJUDXQWZPM-BFYDXBDKSA-N 286.419 3.893 30 20 CHED C=CCC[C@@H](N[C@H](C)c1cnn(C)c1)c1ccccc1 90580671 JMNKDFGYDNHDRI-RHSMWYFYSA-N 269.392 3.778 30 20 CHED Cc1cc([C@@H](C)Nc2cccc(C#N)n2)ccc1F 339217218 NVMWRIAGPAUYBQ-LLVKDONJSA-N 255.296 3.574 30 20 CHED Cc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1F 519582308 NDCVVARZABTTAT-OAHLLOKOSA-N 260.356 3.648 30 20 CHED CCc1ccc(O)c(/C(O)=N/CC2CCC(C#N)CC2)c1 331280080 QEQZAWZHGYJEBU-UHFFFAOYSA-N 286.375 3.589 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cc2ccccc2o1 430758200 ZVWNUYLFAQTNSL-GFCCVEGCSA-N 254.333 3.777 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)[C@]1(C#N)CC12CCCC2 333259595 AVSCGFLKYJWQMS-GOSISDBHSA-N 293.370 3.889 30 20 CHED N#Cc1ccc(NC[C@H]2CCc3ccccc32)c(F)c1 347310253 MCZZJCBSCXILJK-CQSZACIVSA-N 266.319 3.839 30 20 CHED CCCN(CCC)CCCNc1nccc(C#N)c1Cl 342068327 VYCOZNQXKYKGNA-UHFFFAOYSA-N 294.830 3.531 30 20 CHED C=C(C)CCc1noc(Cc2ccc(F)c(Cl)c2)n1 528190783 AFGVDMGGTUFSKS-UHFFFAOYSA-N 280.730 3.962 30 20 CHED CCn1ccnc1[C@H]1CCCCN1CCCC(C)(C)C#N 439003073 RQPOOVJOQGWTEM-OAHLLOKOSA-N 288.439 3.760 30 20 CHED C=CCC[C@H](NCC1(CO)CC(c2ccccc2)C1)C1CC1 433080961 FOKWNXBYORTEAU-GPJFCIFZSA-N 299.458 3.877 30 20 CHED CC1(F)CCN(Cc2ccccc2C(C)(C)C#N)CC1 602992726 DJMFDQBXIAUHHN-UHFFFAOYSA-N 274.383 3.812 30 20 CHED COc1ccc(NC(=O)CC(C)(C)C#N)c2ccccc12 529932922 RLABCHCVBBAGEQ-UHFFFAOYSA-N 282.343 3.727 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccs1)CCO2 255472197 GTNQKERXQYXBDN-PKNBQFBNSA-N 286.352 3.806 30 20 CHED CCc1oc2ccccc2c1CC(=O)N[C@@H](C#N)C(C)(C)C 528799293 PCKVJFSKTXFGPB-INIZCTEOSA-N 298.386 3.592 30 20 CHED N#Cc1cccc(CNC2(c3ccc(F)cc3)CCCC2)n1 602526313 JCJRGTLVMZENQT-UHFFFAOYSA-N 295.361 3.651 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 344181012 YGDYNEYERZTPFV-PBHICJAKSA-N 296.414 3.675 30 20 CHED N#Cc1ccc(NC(=O)c2cc3occc3s2)cc1 609852686 XKXSBKKOGIAIDR-UHFFFAOYSA-N 268.297 3.618 30 20 CHED Cc1cccc2cc(C(=O)Nc3ccccc3C#N)oc12 609092405 ZLFJDDCHVVIFLN-UHFFFAOYSA-N 276.295 3.865 30 20 CHED N#Cc1ccc(NC[C@@H]2CCc3ccccc32)c(F)c1 347310247 MCZZJCBSCXILJK-AWEZNQCLSA-N 266.319 3.839 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCC[C@H](SC)C1 342886722 XXIFQOFFBFQHIY-CABCVRRESA-N 299.480 3.540 30 20 CHED Cc1ccc(C#N)c(NC2CC(C)(c3ccccc3)C2)n1 346847306 HJDSFKXHGUOJMV-UHFFFAOYSA-N 277.371 3.794 30 20 CHED COCc1cccc(/C=C\C(=O)c2cccc(OC)c2)c1 255754967 JTBCLBAEKVILHO-KTKRTIGZSA-N 282.339 3.738 30 20 CHED N#Cc1cn[nH]c1NC(=O)c1ccc(C2CCCCC2)cc1 601640601 IKVIKBAJAMEQJK-UHFFFAOYSA-N 294.358 3.581 30 20 CHED CC(C)Cc1ccc(/C=C\C(=O)c2cnn(C)c2)cc1 255885725 OKNXNEXAHQHBOY-HJWRWDBZSA-N 268.360 3.515 30 20 CHED C=CCCN1CCN([C@H](CC)c2ccc(F)cc2F)CC1 441467443 ATWWMNRFETVRNV-QGZVFWFLSA-N 294.389 3.610 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H](C)c1ccc(C#N)cc1 251975123 DCZAQMZRGPKCFI-QXRTWZOPSA-N 296.414 3.904 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1ccc(C#N)s1)C2=O 255774099 PZYFRBXIQUIJPM-KPKJPENVSA-N 295.363 3.895 30 20 CHED C[C@H](NCc1cccc(C#N)n1)c1ccc2c(c1)CCCC2 602501274 DZHDKOWXUAFUCG-AWEZNQCLSA-N 291.398 3.683 30 20 CHED N#CCCN(CC1CC1)C(=O)Cc1cc2ccccc2s1 448912718 ONQTVEZKYHEDBA-UHFFFAOYSA-N 298.411 3.596 30 20 CHED CC[C@H](CC(F)(F)F)NC1CCC(C)(C#N)CC1 449243410 KOKWOPMXMGSIGD-VOMCLLRMSA-N 262.319 3.779 30 20 CHED Cc1cc([C@@H]2CCCN2)ccc1-c1ccc(C#N)cc1 600778384 XRYXNAMHPJTYQH-SFHVURJKSA-N 262.356 3.958 30 20 CHED Cc1nc(C2CCCCC2)sc1C(=O)N[C@H](C)CC#N 539354433 RMNQZOFWCWGFGA-SNVBAGLBSA-N 291.420 3.531 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 537449815 KZLYFKQSYWAYOK-JSGCOSHPSA-N 289.423 3.637 30 20 CHED CC[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 446732987 YNOIEVYVOKOAQO-CYBMUJFWSA-N 281.321 3.789 30 20 CHED C=CCCC1(C(=O)NCc2nccc3ccccc23)CC1 354103623 GJUCWUDRAFZLTJ-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccs1 618807348 YFPNGCAZHMVBSK-NHYWBVRUSA-N 268.385 3.958 30 20 CHED C[C@H](c1noc(-c2cc(C#N)cs2)n1)c1cccs1 357018119 LOBDZKKCJZUQRI-QMMMGPOBSA-N 287.369 3.883 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccc(OCC)cc2)CC1 353611068 UYTCCKIEZCOXEK-UHFFFAOYSA-N 287.403 3.790 30 20 CHED COC(=O)c1cccc(COc2ccc(C)c(C)c2)c1C#N 533714749 QAQDWKUSLOKVGQ-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CC#CCNC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 534943070 IYOKRHAGZDKRHE-SNVBAGLBSA-N 299.201 3.719 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@H](N(C)C)C2)CCCCC1 450053456 RBPWYQQFKZJGEE-HOTGVXAUSA-N 292.467 3.502 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)Cc1ccccc1F 538293740 JEUMGQGFPVIZOR-ZIAGYGMSSA-N 292.398 3.801 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H](c2ccccc2)C1 455540890 POGVLMBPTIYDDP-INIZCTEOSA-N 272.392 3.542 30 20 CHED C=C(CC)CNCc1c(C)nc2scc(C3CC3)n12 459565397 ULMBNQGCLFONQT-UHFFFAOYSA-N 275.421 3.637 30 20 CHED CN(Cc1ccc(O)cc1)c1nc(C(C)(C)C)ccc1C#N 613431333 WIQCNPGKGXYWLY-UHFFFAOYSA-N 295.386 3.593 30 20 CHED C=CCCC(=O)N1CCc2ccc(C(C)C)cc2C1 617607258 CIDOIKVJGHVYOU-UHFFFAOYSA-N 257.377 3.661 30 20 CHED CC(C)CCCCC(=O)N(C)Cc1cccc(C#N)c1 457425598 QPUMFJQGIYSZCS-UHFFFAOYSA-N 272.392 3.733 30 20 CHED C=C(C)CCNC(=O)N(C)CCc1cccc2ccccc12 455311335 NUMXQPKBUVHJCL-UHFFFAOYSA-N 296.414 3.990 30 20 CHED C=CCCc1noc(C(C)(C)c2ccc(OC)cc2)n1 453240541 UNCBGZGWRALTFV-UHFFFAOYSA-N 272.348 3.523 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)CCCc1cccnc1 459647372 JXMGZNIZZIGZFC-HRCADAONSA-N 260.425 3.983 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCCC[C@H]1SCC 543253863 TUUFHAKZJKKFEX-MELADBBJSA-N 284.469 3.705 30 20 CHED N#CCCCC(=O)Nc1nc(/C=C\c2ccccc2)cs1 360248973 BIBZUVKQPYRCSC-KTKRTIGZSA-N 297.383 3.946 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H](C[C@@H]2CCOC2)C1 614407137 GOYYZZGPJZCHCY-MSOLQXFVSA-N 298.430 3.505 30 20 CHED CCN(CC)CCCN[C@H]1CCCCc2cc(C#N)ccc21 360819035 GTNUPSLSYNQFIE-IBGZPJMESA-N 299.462 3.647 30 20 CHED Cc1cc(CN2CC(Cc3ccccc3)C2)ccc1C#N 618752439 AKNYCUQDBYAYTC-UHFFFAOYSA-N 276.383 3.541 30 20 CHED Cc1ccsc1-c1nnc(S[C@@H]2CC[C@@H](C#N)C2)o1 278524005 HAJWUKOOWJBSJE-NXEZZACHSA-N 291.401 3.891 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)no1 453071690 CZBVKGDESLLHKR-UHLUBPPHSA-N 294.141 3.845 30 20 CHED CC[C@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)C(C)(C)C 455800278 YMXATALAWYNTQG-LBPRGKRZSA-N 294.786 3.553 30 20 CHED Cc1ccc(OCCCN[C@@H](C)c2ccc(C#N)cc2)cc1 540595640 DKSGKONDSOGGHZ-INIZCTEOSA-N 294.398 3.986 30 20 CHED C=CCCc1noc(C[C@@H](C)Cc2ccccc2OC)n1 453246929 LPFSQUPEAHUMHL-ZDUSSCGKSA-N 286.375 3.618 30 20 CHED N#CCC1(CN[C@H](c2ccccc2)C(F)(F)F)CC1 360997449 MYUTZJZBJPVQIQ-GFCCVEGCSA-N 268.282 3.573 30 20 CHED C[C@@H](CC#N)N(C)Cc1c(Cl)oc2ccccc12 271158220 JAQACBAZNUJKRJ-JTQLQIEISA-N 262.740 3.820 30 20 CHED C=CC(C)(C)CNC(=O)Cc1cccc(OC/C=C\C)c1 452780865 GFCYWHMRGUWRLF-ALCCZGGFSA-N 287.403 3.512 30 20 CHED C=CC(C)(C)CNC(=O)CCc1nc2ccccc2s1 452775354 HMXZRQWQUXHQMW-UHFFFAOYSA-N 288.416 3.557 30 20 CHED C[C@@H](CCNC(=O)N(C)CC(C)(C)C#N)CC(C)(C)C 458686225 LTEOVVNMABCCHF-ZDUSSCGKSA-N 281.444 3.640 30 20 CHED COc1cc(C#N)ccc1NC(=O)CCCC(C)(C)C 545297335 JKANHNKLELHPCT-UHFFFAOYSA-N 274.364 3.722 30 20 CHED CC(C)(C)CCN(Cc1ccc(C#N)cc1)C1CC1 542315475 IKUBCSIXGHIKCM-UHFFFAOYSA-N 256.393 3.959 30 20 CHED C=CCCN(C)C(=O)c1ccc(SC(F)F)cc1 276469639 XAWCFQRNDDRTHT-UHFFFAOYSA-N 271.332 3.649 30 20 CHED Cc1cc(Cl)c(C(=O)N2CCC(C)(C#N)CC2)cc1C 273020992 XLHYTENHGOVSLK-UHFFFAOYSA-N 290.794 3.723 30 20 CHED C=CCN(C(=O)Nc1ccccc1C(C)C)C1CC1 271408783 VLGBZLDHZCRJJQ-UHFFFAOYSA-N 258.365 3.992 30 20 CHED C=CCC1(NCc2cnc(C3CC3)o2)CCCCC1 628300361 BRSQCICOKIQXNK-UHFFFAOYSA-N 260.381 3.921 30 20 CHED CCC[C@H](C)N(C)c1ncc(Cl)c(C)c1C#N 544143379 JLCCMORQSBFWCE-VIFPVBQESA-N 251.761 3.540 30 20 CHED C=CC[C@H]1N(C(=O)Nc2cc(C)on2)CCCC1(C)C 277503114 BIKYEQPDJJZNIT-GFCCVEGCSA-N 277.368 3.582 30 20 CHED CC(C)C[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 466745701 XBDLFQZWQSCCDA-ZBFHGGJFSA-N 256.393 3.987 30 20 CHED CCc1ccc([C@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1 276591977 JTQZRCVOZAOSBW-AUUYWEPGSA-N 294.398 3.505 30 20 CHED CC(C)c1ccc(CC2CCN(C(=O)[C@H](C)C#N)CC2)cc1 462817533 HQRPOWHIMLNSQM-OAHLLOKOSA-N 298.430 3.751 30 20 CHED CC#CCCCC(=O)Nc1ccnn1[C@H](C)CC(C)C 464562833 AHCHVDUSUXYLGA-CQSZACIVSA-N 275.396 3.622 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC2(CCC2)CC1 376584134 LVKJORMJCQBQLA-UHFFFAOYSA-N 283.375 3.665 30 20 CHED C=C(C)CCc1noc([C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1 624606967 AXPRJYMOMVZBHG-NUEKZKHPSA-N 266.344 3.632 30 20 CHED CC#CCCCc1nc(-c2ccc3[nH]ccc3c2)no1 289092593 UZXNVAGYPRHUCU-UHFFFAOYSA-N 265.316 3.564 30 20 CHED C=CCC(C)(C)c1noc([C@H]2C[C@@H](C(C)=O)C2(C)C)n1 556347460 JPIGDHCSXNDVNI-NWDGAFQWSA-N 276.380 3.642 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCN2CCC[C@H]2C1 377426650 OOZKPQGRZHVMHU-IRXDYDNUSA-N 294.483 3.870 30 20 CHED N#Cc1cccc(C2(NC(=O)[C@@H]3CC34CCCCC4)CC2)c1 551976410 MJVRHPHFLUHFDD-INIZCTEOSA-N 294.398 3.634 30 20 CHED C=C(C)CCN[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 639226973 JKIWRQUXJKCLTN-PKOBYXMFSA-N 284.447 3.910 30 20 CHED Cc1oc(C#N)cc1C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 286464494 VFOQOQOQUPCETD-SJCJKPOMSA-N 294.354 3.683 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H](C)CCCC)cc1 461635518 XZEXZYUUQRLKSW-AWEZNQCLSA-N 275.392 3.902 30 20 CHED N#C[C@@H]1CC[C@H](NCC(F)(F)c2ccc(Cl)cc2)C1 552097690 KGZCKBXWMMODTP-MFKMUULPSA-N 284.737 3.714 30 20 CHED Cc1ccc2c(C(=O)N3CCC(C#N)CC3)csc2c1 280061575 OSKXFEVEJYVEBU-UHFFFAOYSA-N 284.384 3.586 30 20 CHED CSc1cccc(F)c1CNCC(C)(C)CCC#N 285679437 URBVTHCQHANTQL-UHFFFAOYSA-N 280.412 3.967 30 20 CHED C#CCn1ccc(CN(CC)CCC2CCCCCC2)n1 809655903 MWFSZYCEIACCSL-UHFFFAOYSA-N 287.451 3.699 30 20 CHED C(=NN[C@@H]1CCSC1)c1cc(-c2ccccc2)cs1 808000621 RQDFXIBBQCQFKI-CQSZACIVSA-N 288.441 3.844 30 20 CHED C=C(CC)COC(=O)c1ccc2nccc(C)c2c1 803870522 RQKBOZXKFMKYJL-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C=CCCCCNC(=O)NCc1ccc(OC)c(Cl)c1 472765582 FCQLHRJZMAFKQQ-UHFFFAOYSA-N 296.798 3.504 30 20 CHED CCCCOc1ccc(NCc2ccc(C#N)s2)cn1 478623246 QPGDKYKHQRMKAT-UHFFFAOYSA-N 287.388 3.806 30 20 CHED C=CCOCCCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 470763817 GKCMSOZJUAXUHI-KBPBESRZSA-N 277.383 3.726 30 20 CHED CCc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc1 561602292 ZTNSVUZRNWZPEL-SFHVURJKSA-N 284.403 3.841 30 20 CHED C=CCCCCNC(=O)[C@H](C)Sc1ccc(OC)cc1 471675389 DBQPRBYAZIHSLO-ZDUSSCGKSA-N 293.432 3.648 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@@H](CC2CC2)C1 569522398 LLMUOWKXHCPFNM-HNNXBMFYSA-N 285.387 3.514 30 20 CHED C#C[C@@H](NC(=O)[C@@H](CCC=C)c1ccccc1)C(C)(C)C 807879120 OCKXOZIHERHVND-DLBZAZTESA-N 283.415 3.901 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccc(F)cc3)C2)C1 293713466 MYSWKHBKVOQBEC-ODVANORSSA-N 272.367 3.744 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1cccnc1 297955857 TZGADZPKFJFPLS-OAHLLOKOSA-N 279.387 3.926 30 20 CHED C#Cc1ccc(CN2C[C@@H](C)OC[C@H]2c2ccccc2)cc1 809581756 OIYNRRNUXHKPDL-UZLBHIALSA-N 291.394 3.630 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C#N)C(C)(C)C 563719382 XHOKOFFJEQZXRK-ZBFHGGJFSA-N 286.419 3.700 30 20 CHED N#CCCCN[C@H](Cc1ccccc1Cl)C1CC1 294444416 VINPBCGORXIHRO-OAHLLOKOSA-N 262.784 3.554 30 20 CHED C#CCCNc1cc(-c2ccc(OC)nc2)ccc1C 800878328 JKDKWGBWUAIUFP-UHFFFAOYSA-N 266.344 3.501 30 20 CHED N#Cc1sc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)nc1Cl 804344274 OQECAACTZAKNLN-MVCUBJFGSA-N 293.823 3.905 30 20 CHED Cc1ncccc1CON=Cc1ccccc1OC(F)F 809990895 MBDHDEYDBVSTRR-UHFFFAOYSA-N 292.285 3.542 30 20 CHED N#Cc1sc(NCCc2cccc(F)c2F)nc1Cl 804451418 JDNNCJBYHPNXER-UHFFFAOYSA-N 299.733 3.601 30 20 CHED C=CCCC1(C(=O)N(CCC(F)(F)F)CC2CC2)CC1 476300828 BWXAZLLCUOKULC-UHFFFAOYSA-N 289.341 3.924 30 20 CHED N#CCc1cccc(C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)c1 809104960 WGCUCIMLMRRVQK-HDICACEKSA-N 291.350 3.856 30 20 CHED COc1ccc2c(c1F)CCC2=NNc1ccccc1 807941994 CTNDLKLNHGDDMP-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C=C[C@H](CC(=O)OC[C@H](F)C(F)(F)F)c1ccccc1 800191014 QVBUQCQBSJZEEX-PWSUYJOCSA-N 290.256 3.790 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H](C)CC2(C)C)c1 472717208 WUKSEFNPTXPIEA-CYBMUJFWSA-N 288.391 3.904 30 20 CHED CCCCCCCCOCC(=O)N(C)c1ccc(C)cn1 809348310 AAYPFETZLXLVGA-UHFFFAOYSA-N 292.423 3.730 30 20 CHED CCSc1ccccc1C(C)=NNC[C@H]1CCSC1 811657773 ABWQPVXPGVXUOB-CYBMUJFWSA-N 294.489 3.865 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(Cl)cc1OC 811185222 IFPZDKSLGBVDCK-UHFFFAOYSA-N 299.757 3.511 30 20 CHED C=CCCN(C)Cc1noc(-c2c(F)cccc2Cl)n1 645885782 FWUSFDWTWJKXLG-UHFFFAOYSA-N 295.745 3.537 30 20 CHED C[C@@H](C(=O)OCc1ccc(Cl)cc1C#N)C(C)(F)F 815493174 CHXKDLBMGAPJAH-QMMMGPOBSA-N 287.693 3.546 30 20 CHED CC[C@H](N[C@@H](C)C[C@@H]1CCCO1)c1ccc(C#N)cc1 565931666 DJHIZUDHFOKJQR-JQFCIGGWSA-N 272.392 3.557 30 20 CHED Cc1ccccc1[C@H](CC(C)C)N=c1ccc(C#N)c[nH]1 488215098 HFQUKVCXQMZNRG-KRWDZBQOSA-N 279.387 3.883 30 20 CHED COc1ccccc1CN(OC)[C@@H](C)c1ccc(C#N)cc1 810108005 FGCSFMQMJWGQAS-AWEZNQCLSA-N 296.370 3.691 30 20 CHED C=CCn1cccc1C(=O)NCc1ccc2ccccc2c1 488383682 IGEYDRYRCMUFEO-UHFFFAOYSA-N 290.366 3.757 30 20 CHED C=CCCN(C)C(=O)N1CCC(Cc2ccccc2)CC1 487342523 TXXLSUMLEQIIEE-UHFFFAOYSA-N 286.419 3.569 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1C)c1ccc(Cl)cc1 811949152 QPRGIUWYXRMADC-MRXNPFEDSA-N 283.758 3.753 30 20 CHED CCC(=NNc1nc(C)cc(C)n1)c1ccc(F)cc1F 814681269 DXHJSOANBFFUQH-UHFFFAOYSA-N 290.317 3.598 30 20 CHED C[C@@H]1C(=NN[C@@H]2CCCC2(C)C)CC[C@@H](C(=O)O)C1(C)C 814917775 QUIOPWRFWQOSNG-MBNYWOFBSA-N 294.439 3.668 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCOc1ccc(C)cc1C 488875530 GUDMGARDUMBAHD-MRXNPFEDSA-N 287.403 3.639 30 20 CHED CC(C)Cc1ccc(C=NN[C@@H](C)c2ccncc2)cc1 819816610 LUFPQEBFHGSQLK-HNNXBMFYSA-N 281.403 3.965 30 20 CHED C/C(=C\C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl 819632068 NXEWISVYFJGFHG-UAIPSJAGSA-N 288.778 3.552 30 20 CHED Fc1ccccc1CCNN=C1CC(c2ccccc2)C1 814875385 FKMZNPYBCBSCOJ-UHFFFAOYSA-N 282.362 3.891 30 20 CHED CC(C)(C)c1ccc(C=NNC[C@@H]2CCSC2)cc1 811660498 OERBANGNOUACJO-AWEZNQCLSA-N 276.449 3.661 30 20 CHED COc1cc(C)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1C 818356753 QRXFPPPMJBECJU-SOUVJXGZSA-N 272.392 3.655 30 20 CHED N#Cc1cccnc1/C=C/c1cc(F)c(F)c(F)c1 486075033 HYBMSAJAHXRLPM-ONEGZZNKSA-N 260.218 3.541 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1cnccc1C 814945963 YUDPKNWNKXTOQZ-UHFFFAOYSA-N 279.265 3.643 30 20 CHED C=CCCCCOC(=O)c1ccc(Cl)nc1C 811010055 HGRZDRYOLJZREO-UHFFFAOYSA-N 253.729 3.557 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)NCCCCC#N 728958157 UOAMJGLPSFDCHR-LSDHHAIUSA-N 293.455 3.832 30 20 CHED Cc1cc(N2CCC[C@H]2CCC(C)C)cc(C#N)n1 575203280 DKQXTZDMMYHLJI-HNNXBMFYSA-N 257.381 3.667 30 20 CHED CCN(Cc1ccc(CC(C)C)cc1)C[C@@H](C)C#N 725795922 YNFGQGKWUNVRTJ-HNNXBMFYSA-N 258.409 3.867 30 20 CHED C=CCN(C(=O)N[C@H](CC)c1nc(C)cs1)C(C)C 729622903 APSFCCTZGDMKEP-GFCCVEGCSA-N 281.425 3.509 30 20 CHED Cc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)c(C)o1 727640673 OMTGLGDVKIJFFM-LLVKDONJSA-N 269.300 3.686 30 20 CHED N#CCCSc1ccccc1NC[C@H](C#N)CCC#N 573083941 OCPNOZBEGHUCGR-ZDUSSCGKSA-N 284.388 3.548 30 20 CHED N#C[C@@H]1CC[C@H](NCCOc2cccc(Cl)c2Cl)C1 578287241 RVDKCQPQXIKSGJ-MNOVXSKESA-N 299.201 3.654 30 20 CHED CC1=C(C)C[C@H](C(=O)OCc2ccc(C#N)cc2)CC1 829793576 JFFGLSFJRDPVAZ-MRXNPFEDSA-N 269.344 3.738 30 20 CHED CC1(NC(=O)Nc2scc(C(C)(C)C)c2C#N)CCC1 821488386 LVJIZFBCXSZQMU-UHFFFAOYSA-N 291.420 3.981 30 20 CHED CC(C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)[nH]2)cc1 827112708 MJRUORNQLOSTDF-CSKARUKUSA-N 283.327 3.732 30 20 CHED C#CCN(C(=O)c1ccc2cnccc2c1)C1CCCCC1 491788159 XASIXFNCTBHYRM-UHFFFAOYSA-N 292.382 3.643 30 20 CHED CC[C@@H](CC#N)NCc1c(C)cc(C)c(C(C)=O)c1C 571295017 MLLSOLCMDFWWBQ-HNNXBMFYSA-N 272.392 3.596 30 20 CHED C/C(=C\C(=O)N(CCC#N)c1ccc(C)cc1)C1CC1 726941929 LSQJIGFGSBXTST-WYMLVPIESA-N 268.360 3.598 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc2c(F)cccc2s1 726559185 ADKOMHCSTIODHU-SNVBAGLBSA-N 290.363 3.708 30 20 CHED CC#CCCNC(=O)Cc1csc2ccc(Cl)cc12 499053021 HFUKAVCDVKUOSZ-UHFFFAOYSA-N 291.803 3.627 30 20 CHED C=C(C)CN(CC)C(=S)N[C@H](C)c1cccs1 726436191 UPPBEISJYZQJPB-LLVKDONJSA-N 268.451 3.582 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(Cl)cc1SC 824306314 VJLWXLQXELAULJ-UHFFFAOYSA-N 282.796 3.549 30 20 CHED O=C(c1ccsc1Cl)N(O)Cc1ccc(F)cc1 901371805 IODXEBSLTVKCSL-UHFFFAOYSA-N 285.727 3.572 30 20 CHED Cc1ccc(N(C)C(=O)CC2(C#N)CCCCC2)cc1 825273848 NAQBKFILTUMUGQ-UHFFFAOYSA-N 270.376 3.822 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H](CC)C1CC1 661876184 SXTCKYXOVPAVJU-QGZVFWFLSA-N 286.419 3.615 30 20 CHED C=CC1CCN(C(=S)Nc2cccc(C)c2)CC1 731943373 WWSZENLCIHBBHB-UHFFFAOYSA-N 260.406 3.590 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1cccc(C#N)c1 903017979 URFWAZVAWNPTDY-HNNXBMFYSA-N 255.365 3.539 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(OC)cc1 495199855 GQBLMOKSNJGGQW-UHFFFAOYSA-N 271.360 3.519 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@@H](C2CCC2)C2CC2)cc1 835069052 JZDYXKPAGKPHMA-ACJLOTCBSA-N 284.403 3.646 30 20 CHED C=C(Cl)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 839602290 ZPGPJROPNRHFMU-GFCCVEGCSA-N 294.609 3.759 30 20 CHED CCn1cncc1/C=C1\C(=O)c2ccccc2[C@H]1C(C)C 901500915 UTQWPGIZHJRQDN-VHEJECIDSA-N 280.371 3.923 30 20 CHED C=CCCCOC(=O)CCC(=O)c1ccc2c(c1)CCC2 735531525 FMHFLKKCXKQPIZ-UHFFFAOYSA-N 286.371 3.648 30 20 CHED C=CCn1c(SCC(=C)C)nnc1-c1ccc(F)cc1 669910143 QSXOYECJZHUEIW-UHFFFAOYSA-N 289.379 3.938 30 20 CHED C=CCCC[C@@H](NCc1cccc(C(C)C)c1)C(=O)O 900068648 MMNGVPUOUJNCBJ-MRXNPFEDSA-N 275.392 3.709 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(F)c3occc23)C1 905929680 RRWGNMCJACXJJL-QWRGUYRKSA-N 287.290 3.811 30 20 CHED CCC(COC)=NNc1ncc(C(F)(F)F)cc1Cl 735970785 INHQHBPJFFMALZ-UHFFFAOYSA-N 295.692 3.578 30 20 CHED CCC(CC)NN=Cc1cc(C(F)(F)F)ccc1F 734366302 MKEIJHIEYSEEAI-UHFFFAOYSA-N 276.277 3.957 30 20 CHED CC1(C)Cc2cccc(C=NNc3ccc(C#N)cc3)c2O1 737428845 HNBBEJBCFNCZPS-UHFFFAOYSA-N 291.354 3.718 30 20 CHED N#CC1(CCCCOC(=O)c2cc(Cl)c[nH]2)CCC1 908814106 MAJSRRFURYUMQY-UHFFFAOYSA-N 280.755 3.689 30 20 CHED C#CCCOC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 730690118 CYYCCVYZZGASOU-SNVBAGLBSA-N 285.170 3.739 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)/C=C\c1ccc(Cl)cc1 588435094 GPCAKFZPIOLPAX-XURPKSDJSA-N 277.751 3.835 30 20 CHED Fc1cccc2c1CC[C@H]2NN=C[C@@H]1CC=CCC1 835021754 ZBTLDDDYSZLRGI-MLGOLLRUSA-N 258.340 3.745 30 20 CHED CC(=NNc1ccccn1)c1cc2ccccc2o1 916276313 WSMYBKBSDMOBDM-UHFFFAOYSA-N 251.289 3.664 30 20 CHED CCC(=NNc1ccc(Cl)nn1)c1ccc(C)cc1 916288102 MLNUUZIMEKNAOR-UHFFFAOYSA-N 274.755 3.665 30 20 CHED Cc1cc(C)c(C#N)c(SC2CCSCC2)n1 915568328 OEVCCNRNVIYOSM-UHFFFAOYSA-N 264.419 3.558 30 20 CHED Cc1cc(NC(=O)C#CC(C)(C)C)n([C@H]2C[C@H]3CC[C@H]2C3)n1 837512311 CBZXHOSMZAMNMH-KKUMJFAQSA-N 299.418 3.541 30 20 CHED CCC(=NNc1nnc(-c2ccccc2)n1C)C1CCCC1 834940046 BXKQJYQWRNCALB-UHFFFAOYSA-N 297.406 3.850 30 20 CHED C=CCCN(C)C(=O)Nc1csc(-c2ccccc2)n1 672829324 LICAQALSYVLGFA-UHFFFAOYSA-N 287.388 3.850 30 20 CHED COc1ccc(OCCCON=Cc2ccc(C)cc2)cc1 745866833 ZOOCDUKAYIZKSD-UHFFFAOYSA-N 299.370 3.823 30 20 CHED CCCNN=Cc1ccccc1OCc1ccccc1 915965490 KCLZDAGCIQRWAS-UHFFFAOYSA-N 268.360 3.599 30 20 CHED N#CCCCOC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 748151635 AXEXSODGKUIRPR-JENIJYKNSA-N 297.398 3.882 30 20 CHED CSc1cc(F)ccc1NC(=O)N(C)CC(C)(C)C#N 592278533 WCOLGFHEXWYQBG-UHFFFAOYSA-N 295.383 3.561 30 20 CHED CC(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)=C1CCC1 841368927 QJBRNVQKAOOYPQ-KRWDZBQOSA-N 280.371 3.552 30 20 CHED C[C@H]1Cc2c(sc(NC(=O)CCCF)c2C#N)[C@H](C)C1 598840754 ZRLJXPBHNJFNRC-NXEZZACHSA-N 294.395 3.994 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C1=CCCCO1 746153070 MWNWWQMOYBSJKO-AWEZNQCLSA-N 267.413 3.794 30 20 CHED N#Cc1ccc(CCSC2(CO)CCCCC2)cc1 594902256 FFNHTHJTPIIEJM-UHFFFAOYSA-N 275.417 3.529 30 20 CHED CCc1ccc(C/N=C\c2c(O)cccc2OC)s1 915978421 DKTNNEGPDCDFQN-YBEGLDIGSA-N 275.373 3.644 30 20 CHED CCCCCCO[C@@H](C)C(=O)Nc1ccc(F)cc1C#N 841141195 GFZZNIZQSAJHBI-LBPRGKRZSA-N 292.354 3.621 30 20 CHED C[C@@H](OC(=O)CCc1ccccc1F)c1ccc(C#N)cc1 748683457 FAUIXXLKKHFSQY-CYBMUJFWSA-N 297.329 3.934 30 20 CHED C=CCN(C(=O)NCC1CCCCCCC1)C(C)C 918113719 LNMUQTXRQZNRKD-UHFFFAOYSA-N 266.429 3.953 30 20 CHED N#CCC1(COC(=O)c2coc3ccc(Cl)cc23)CC1 845477006 NEAOJZGDCOLTIO-UHFFFAOYSA-N 289.718 3.937 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H](C)Sc1ccc(Cl)cc1 594093594 QLENNPMYVVYBSY-CMPLNLGQSA-N 296.823 3.581 30 20 CHED CC(=NNc1nccc2sccc12)c1cc(O)ccc1O 915980444 VPPGYTAUYZWNGF-UHFFFAOYSA-N 299.355 3.544 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C(\C)c1cccc(Cl)c1 749933823 LWDJDOVGPIAAFV-ZHZWZMEUSA-N 276.767 3.552 30 20 CHED C/C(=C\c1ccco1)C(=O)OCC1(C#N)CCCCC1 847676930 WYBDYAVUBVNKCO-JLHYYAGUSA-N 273.332 3.700 30 20 CHED CC1(C)C[C@@]1(NC(=O)CCCCCC#N)c1ccccc1 598551093 PWWOMUPAXXISCQ-GOSISDBHSA-N 284.403 3.902 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 595538006 FZDVDZGENSJARE-HUUCEWRRSA-N 297.402 3.617 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(CC)[C@H](C)C#N 598360846 WKFUATUYUDAYRT-UKRRQHHQSA-N 264.413 3.744 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3c(OC)cccc3[nH]2)C1 912389528 UNOHSVNIYFRRLX-ZDUSSCGKSA-N 298.386 3.605 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2cc[nH]c2)cc1 745195114 GYUDZRLKMWTJMJ-CYBMUJFWSA-N 255.365 3.823 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCC[C@@H]1CCOC1 840708685 DAGZOMXEXOPEHS-VCRXTVNUSA-N 283.371 3.781 30 20 CHED N#Cc1cc2ccccc2nc1N1CC[C@@H](C2CCC2)C1 840391721 MVDJUBJZSDUTGZ-OAHLLOKOSA-N 277.371 3.733 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1ncc(Cl)n1C)C2=O 848642499 GNCVGARYMRUKBQ-GHXNOFRVSA-N 286.762 3.513 30 20 CHED CC[C@H](C)N(CC)C(=O)C[C@H](CC#N)c1ccccc1 597855631 LHAWLKZHRFURBQ-HOCLYGCPSA-N 272.392 3.721 30 20 CHED CC[C@H](C#N)C(=O)N1CCCC[C@H]1c1ccc(C)cc1 593485021 ULAWIOPUJWJWQA-ZBFHGGJFSA-N 270.376 3.598 30 20 CHED CCc1ccccc1NN=C1[C@H]2CCCO[C@@H]2C1(C)C 743439038 ZTJZELRZWGWVGM-CJNGLKHVSA-N 272.392 3.852 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1ccc2cc(OC)ccc2n1 684765307 ZXAJSOSDVKUZON-KSSFIOAISA-N 298.386 3.637 30 20 CHED Cc1ccccc1[C@H]1CCN(c2nc(C#N)ccc2C)C1 596104520 CIPONVZAMNPPIA-HNNXBMFYSA-N 277.371 3.564 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCC=C(Cl)Cl)c1 849805092 QPEXXCRUDMWBER-NWDGAFQWSA-N 296.153 3.524 30 20 CHED N#Cc1cccc(Cl)c1NCCc1cccc(O)c1 742398319 OBGJGEGUTRLBNI-UHFFFAOYSA-N 272.735 3.572 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cccc(OCC(F)F)c1 925363249 JVLNGHOABNJYFR-GFCCVEGCSA-N 296.361 3.748 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cccc([N+](=O)[O-])c1 921251989 WYNIHRUPNFBKBW-UHFFFAOYSA-N 281.315 3.666 30 20 CHED C[C@@H](CCc1ccc(O)cc1)N[C@@H](C)CC(C)(C)C#N 924946197 MCZKGKKGQZZJRU-KBPBESRZSA-N 274.408 3.631 30 20 CHED N#Cc1c(Cl)nsc1NCC12CCC(CC1)C2 756949662 CEXZWHYZXMBYAB-UHFFFAOYSA-N 267.785 3.660 30 20 CHED C#CCCCOc1cccnc1NC[C@H]1CCCC1(F)F 853662856 UVMZJNFMQSKOHC-CYBMUJFWSA-N 294.345 3.721 30 20 CHED Cn1cc(C=NNCc2ccc(F)c(F)c2)c2ccccc21 755656403 JISPZDOKGBYLMC-UHFFFAOYSA-N 299.324 3.580 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(F)ccc2F)c1 920942897 STQRLTKGXCWVPZ-UHFFFAOYSA-N 277.270 3.820 30 20 CHED CCC1(NC(=O)c2cc(C#N)ccc2F)CCCCC1 854826157 CTDHVDPDHQDMNB-UHFFFAOYSA-N 274.339 3.540 30 20 CHED CCCNN=C(C)c1ccc(N2CCCCC2)c(F)c1 920941837 UGMUACVIBOHXQK-UHFFFAOYSA-N 277.387 3.540 30 20 CHED CCC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccccn1 924946330 NAGIFFYRDFEKDN-ZFWWWQNUSA-N 259.397 3.841 30 20 CHED CC(C)O[C@H](C=NOCC1CCC1)c1ccccc1 853440552 DFFGGKGPPMVHPR-MRXNPFEDSA-N 261.365 3.955 30 20 CHED N#CC1(CCCCN2CCc3ccc(O)cc3CC2)CCC1 929954942 GKAMCDYIHGJKGX-UHFFFAOYSA-N 298.430 3.657 30 20 CHED CC(C)[C@H](N[C@H](C)CC(C)(C)C#N)[C@H](O)c1ccccc1 926319057 FQRZSYOIJLTECP-HYVNUMGLSA-N 288.435 3.663 30 20 CHED Cc1cccc(C(=O)OCc2ccc(C#N)cc2)c1Cl 754977090 RXCBCWAPYZICAG-UHFFFAOYSA-N 285.730 3.877 30 20 CHED Fc1cc(F)cc(NN=Cc2nc(Cl)cs2)c1 758115256 BQEPEGBYYROVQR-UHFFFAOYSA-N 273.695 3.521 30 20 CHED Cc1cccc2c1C/C(=C/c1ccccc1C#N)C2=O 755591977 CXZGWVJSUDRQPG-DHDCSXOGSA-N 259.308 3.689 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ocnc1C1CC1 851141544 BCRKOVAOZDLPFN-AAEUAGOBSA-N 275.348 3.844 30 20 CHED CCCCCCCCNC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 857859674 GOZKYEDCTIAZRB-UKRRQHHQSA-N 291.439 3.552 30 20 CHED COc1cccc(/C=N/CCc2ccc(F)cc2C)c1O 755032475 TXJODCUQHNAWOJ-YBFXNURJSA-N 287.334 3.510 30 20 CHED C#CC[C@@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1 757618840 ZKRACUYWWGXHPF-MRXNPFEDSA-N 299.320 3.659 30 20 CHED CCCCCCCCNC(=O)C[C@H](C)n1nc(C)cc1C 754854441 OBIYNBQWHCWSEG-INIZCTEOSA-N 293.455 3.928 30 20 CHED C#CC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 757597621 GXGBSNUUWRAJAW-INIZCTEOSA-N 283.758 3.834 30 20 CHED C=C(C)CNC(=O)Nc1cccc(COC(C)(C)C)c1 933213987 MBDOAZCNEUTBCK-UHFFFAOYSA-N 276.380 3.699 30 20 CHED CC(C)CC1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 760481015 VFJHZGVKYZVRHB-UHFFFAOYSA-N 285.391 3.848 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NNCC(F)(F)F 769813555 HLQJQLJIIRBTTA-UHFFFAOYSA-N 294.704 3.615 30 20 CHED C#CCCc1noc(-c2ccc(SC(F)(F)F)cc2)n1 761999303 NHBZAZOXQXFKKO-UHFFFAOYSA-N 298.289 3.914 30 20 CHED CCc1ccc([C@@H](C)NCc2ccc(C#N)cc2)o1 765013459 HNFHDEATEZOMHF-GFCCVEGCSA-N 254.333 3.564 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1(F)CCCC1 768870270 MUTDGOKZKLCXEB-UHFFFAOYSA-N 255.333 3.532 30 20 CHED CC(=NNc1cccc(C)n1)c1cc(C)sc1C 863161957 MVDRIRLBEMQTRT-UHFFFAOYSA-N 259.378 3.904 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(O)cc2)cnc1Cl 760264957 PWATXOPDWTVUIB-FARCUNLSSA-N 273.719 3.645 30 20 CHED COc1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1F 762058308 MGLWYDNOASKZOS-LLVKDONJSA-N 299.301 3.624 30 20 CHED CC#CCCOC(=O)C[C@H](c1ccccc1)C(F)(F)F 760292848 XXRVMZGECALVCK-CYBMUJFWSA-N 284.277 3.679 30 20 CHED C#C[C@@H](OC(=O)CC1CC(F)(F)C1)c1ccc(C)cc1 860963030 NRIBYKVJMQIWQN-CQSZACIVSA-N 278.298 3.648 30 20 CHED N#CCCCCOC(=O)c1cnc(Cl)c2ccccc12 769184241 ODTRBIHZRHGTDQ-UHFFFAOYSA-N 288.734 3.739 30 20 CHED CC[C@H](CC#N)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 762718046 DPRSTYIDLPBUNU-YCABEKBOSA-N 284.403 3.806 30 20 CHED C=CCCc1noc([C@@H](C)c2ccc(F)cc2F)n1 1117779641 UDLJCEBHSPVVOF-VIFPVBQESA-N 264.275 3.618 30 20 CHED CCCCC[C@H](C)NC(=O)Nc1ccc(C#N)cc1OC 766242399 VQMSFXAKGVYVGI-LBPRGKRZSA-N 289.379 3.657 30 20 CHED NC(=NOCc1ccc(C(F)F)cc1)c1ccc(F)cc1 763423904 MZHGOWCFLVKUNF-UHFFFAOYSA-N 294.276 3.600 30 20 CHED C[C@@H](CCC#N)CN1Cc2ccc(Br)cc2C1 877373804 KCBOAXAJVQIOSA-NSHDSACASA-N 293.208 3.705 30 20 CHED COc1ccc([C@H](OC)[C@H](C)Nc2ccc(C#N)cc2)cc1 771698523 NCQKORWQKRXGTK-SCLBCKFNSA-N 296.370 3.755 30 20 CHED Cc1ccc(C=NN[C@@H](Cc2ccccc2)C(C)C)nc1 777449473 WBCPNGCZXIEPIF-SFHVURJKSA-N 281.403 3.581 30 20 CHED C=CCCOCC(=O)O[C@H](CC)c1cc(C)ccc1OC 772497531 VHYGCWTWQQIEEZ-OAHLLOKOSA-N 292.375 3.591 30 20 CHED N#C[C@@H](OC(=O)[C@@H]1CCOc2ccccc21)C1CCCCC1 776383417 LYXGBGDRPYTNNI-NVXWUHKLSA-N 299.370 3.568 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](F)Cc1ccccc1 778009619 IEYMTGGPQSWSDE-MRXNPFEDSA-N 277.383 3.772 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(F)c(C#N)c1)C2=O 770571418 CVRMXIIFRNNYNM-GHXNOFRVSA-N 293.297 3.528 30 20 CHED CC#CCOC(=O)c1sc(-c2ccccc2C)nc1C 774286108 JZRDMAURQQOBED-UHFFFAOYSA-N 285.368 3.607 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCCOc2ccccc21 878585423 FVCMNBLZDZFFDR-AWEZNQCLSA-N 273.376 3.619 30 20 CHED CC(C)c1ncc(/C=C\C(=O)c2sccc2O)s1 773148025 GIQSDTOFOUEUCL-ARJAWSKDSA-N 279.386 3.930 30 20 CHED C#CCCCCCC(=O)N(CCCC)[C@H](C)CC 779834473 UDCJEECRFWIISJ-OAHLLOKOSA-N 251.414 3.997 30 20 CHED C=C(Cl)C[S@](=O)Cc1cccc(Cl)c1Cl 773715197 DPYIHBCSIJLRLC-HNNXBMFYSA-N 283.607 3.995 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1ccc([N+](=O)[O-])s1 773123080 CQOWILOCRDKZEY-NSHDSACASA-N 281.381 3.549 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=Cc1cccc(C#N)c1 777447595 HYUGVXSJRMNZDH-IBGZPJMESA-N 291.398 3.749 30 20 CHED CCC(=NOCCC(F)(F)F)c1ccccc1F 777455989 QTDGIRZAZCMMKD-UHFFFAOYSA-N 263.234 3.909 30 20 CHED N#C[C@@H](OC(=O)C[C@H]1C=CCCC1)C1CCCCC1 778392988 UDCWUDAJMLVWKC-DZGCQCFKSA-N 261.365 3.748 30 20 CHED CCCCCCCOC(=O)/C=C\c1scnc1C 777093700 ZIWIUFUAFGCAQS-HJWRWDBZSA-N 267.394 3.978 30 20 CHED Fc1c(Cl)cccc1C=NOCCC(F)(F)F 777459287 HSIRSQSOIYRKEC-UHFFFAOYSA-N 269.625 3.782 30 20 CHED N#C[C@@H](OC(=O)c1cc(F)cnc1Cl)C1CCCCC1 776399912 OOYHTGSBSHADCQ-GFCCVEGCSA-N 296.729 3.503 30 20 CHED N#CC1(CN2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1 775976668 WALMLDDXLUWBLS-MSOLQXFVSA-N 298.430 3.658 30 20 CHED O=C1C/C(=C\c2cccc(F)c2F)C(=O)c2ccccc2N1 774139254 CMLPFDIEAIWKER-DHZHZOJOSA-N 299.276 3.573 30 20 CHED CSc1ccc(C)c(N=Cc2ccc(O)c(O)c2O)c1 775631191 QYSUTQGBCDQMLZ-UHFFFAOYSA-N 289.356 3.584 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H](CC)CC(F)(F)F 880285754 XFXBGKOFFJPSGF-JTQLQIEISA-N 265.319 3.684 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)c(O)cc1Cl 885678455 PUAWBUMAVKTIDM-ZDUSSCGKSA-N 271.719 3.726 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(F)c(F)c(F)c1 783460473 IPKMPMAXLLWIDK-UHFFFAOYSA-N 285.265 3.591 30 20 CHED C#Cc1ccc(COC(=O)c2csc(C(C)C)n2)cc1 1122864729 WFRHSYGNSDCJIR-UHFFFAOYSA-N 285.368 3.605 30 20 CHED CCc1ccccc1OCC(=O)OCCCC(C)(C)C#N 782051610 DDDQIMLARJTOST-UHFFFAOYSA-N 289.375 3.501 30 20 CHED CC(C)[C@@H](F)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 784018654 XIFLNSGLKRWETI-NOZJJQNGSA-N 294.395 3.677 30 20 CHED CC[C@H]1CCN(c2c(Br)cccc2C#N)[C@H]1C 1458334748 YGJKNCSYMYAJMP-QWRGUYRKSA-N 293.208 3.946 30 20 CHED CCCCCCCC(=O)Nc1cnc2c(c1)c(C)nn2C 890453823 PSBYOAAJQFSJMA-UHFFFAOYSA-N 288.395 3.576 30 20 CHED CCc1ccc([C@H](O)CN[C@@H](C)c2cccc(C#N)c2)cc1 789364230 VGLNIRXINCDJKR-IFXJQAMLSA-N 294.398 3.505 30 20 CHED C=CCOCCCC(=O)OCc1ccc(Cl)c(C)c1 781173279 MDEUTRQTDJVUHO-UHFFFAOYSA-N 282.767 3.674 30 20 CHED C#CCCCCCC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 891169058 XLCYZDGZMXXXRZ-LSDHHAIUSA-N 261.409 3.607 30 20 CHED C=C1CC(c2noc(-c3cnccc3C(F)(F)F)n2)C1 896874366 LLISCVGNNABWES-UHFFFAOYSA-N 281.237 3.584 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C1(C#N)CCCC1 783871174 DQVCERMRHBELKG-UHFFFAOYSA-N 298.386 3.607 30 20 CHED CCCCCCCC(=O)N(CCO)Cc1ccc(C)cc1 783640662 UMUUKZQHYSQVQX-UHFFFAOYSA-N 291.435 3.676 30 20 CHED CCOc1ccc(C=NOCCCCCF)cc1 789563722 AMEATSQJKFUJFI-UHFFFAOYSA-N 253.317 3.576 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C)s1 787039118 XVFLTCJPOFKLQT-STQMWFEESA-N 278.421 3.868 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc2ncccc2c1 782289968 WSRFHSIFOQXZCS-MRXNPFEDSA-N 267.376 3.737 30 20 CHED N#Cc1cccc(N[C@@H]2CCCc3sccc32)n1 81596091 TXTHJCLVXQXFSQ-GFCCVEGCSA-N 255.346 3.504 30 20 CHED Cc1cccnc1NN=Cc1cc(F)cc(C(F)(F)F)c1 790187406 VDNXOOYKTXDPHX-UHFFFAOYSA-N 297.255 3.994 30 20 CHED COCCCON=C1CCSc2ccc(Cl)cc21 795048173 ITCLTRICISHANW-UHFFFAOYSA-N 285.796 3.593 30 20 CHED CSCCON=Cc1ccccc1OC1CCCC1 794577234 PVCAMQSMCNZSIC-UHFFFAOYSA-N 279.405 3.722 30 20 CHED O=C(/C=C/C=C\c1ccc(F)c(F)c1)c1cscn1 794699181 APFRICMFXKVHAY-HSFFGMMNSA-N 277.295 3.874 30 20 CHED C=CC[C@H]1CCCN(Cc2ccncc2Cl)C1 661381146 WGQRXYLCKPCAGN-LBPRGKRZSA-N 250.773 3.523 30 20 CHED C=CCCCOC(=O)COc1ccc(Cl)cc1C 735527026 CNJRFSNREYAUSC-UHFFFAOYSA-N 268.740 3.537 30 20 CHED Cc1nn(C)cc1/C=C1/CC(C)(C)c2ccccc2C1=O 794969928 WFNBNUDAMGBUSN-LCYFTJDESA-N 280.371 3.676 30 20 CHED CC(=NNc1nccn1C)c1ccc(Cl)c(Cl)c1 790302077 MKEUOSVGSRWATO-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1c2ccccc2C[C@@H]1O 793522819 OMVMJUGWGKIFAL-FHLIZLRMSA-N 273.420 3.759 30 20 CHED N#Cc1ccsc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 1207288124 YRUZINOWRKCGTH-NQBHXWOUSA-N 289.404 3.710 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)cc(F)c1 189907164 SLEYDGLGQAKESK-UHFFFAOYSA-N 276.355 3.679 30 20 CHED COc1cccc(/C=N/CCCc2ccccc2F)c1O 794850021 YFWOIZBZWGYNAN-XDHOZWIPSA-N 287.334 3.592 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(OC)cc1O 793389483 ZKVHLQGHFMIKOI-CQSZACIVSA-N 263.381 3.625 30 20 CHED O=C1/C(=C/c2ccsc2)COc2cc(F)ccc21 794726315 BFXJAOLGKRKBKD-BJMVGYQFSA-N 260.289 3.546 30 20 CHED Fc1cccnc1NN=Cc1ccccc1N1CCCCC1 794989452 HPEVCPIYNQINRO-UHFFFAOYSA-N 298.365 3.657 30 20 CHED C[C@H](NC(=O)/C=C\c1ccccc1C#N)[C@H]1C[C@H]2CC[C@H]1C2 799473233 YIXRNVSBJZUEGH-KWCNHDIRSA-N 294.398 3.512 30 20 CHED N#Cc1ccc(COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(F)c1 794731921 NBIGXJREENGIRD-CORIIIEPSA-N 287.334 3.567 30 20 CHED COc1cc(F)ccc1NN=C(C)c1coc(C(C)C)n1 799484695 AZJKSVKQQPMROM-UHFFFAOYSA-N 291.326 3.782 30 20 CHED Cc1cc(OCc2cnc(Cl)s2)ccc1C#N 766067852 MXDWOKAIZYUACW-UHFFFAOYSA-N 264.737 3.556 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)c1cccc(O)c1 97635540 CUKQGHYFYJIBCH-JTQLQIEISA-N 256.280 3.576 30 20 CHED C[C@@H]1C[C@H](Nc2cncc(C#N)n2)C[C@H](c2ccccc2)C1 1163494637 QKVMCWPMYMZIRG-IMJJTQAJSA-N 292.386 3.733 30 20 CHED Cc1ccc(CCNc2ncc(C#N)cc2Cl)cc1C 1163691350 YOJLPWOLNAEKJG-UHFFFAOYSA-N 285.778 3.878 30 20 CHED C=CC[C@H](C)NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 1318642915 BNLRHQCTWCJCHG-ZDUSSCGKSA-N 295.448 3.535 30 20 CHED CN(Cc1cc2ccccc2[nH]1)c1ccc(C#N)cc1 1319164705 SANFHOYGHRAWGP-UHFFFAOYSA-N 261.328 3.676 30 20 CHED N#CCc1cccc(NCC2=Cc3ccccc3OC2)c1 1178737069 NOPFVUUMVUBKDO-UHFFFAOYSA-N 276.339 3.641 30 20 CHED C=CCCCC(=O)O[C@H]1c2ccccc2OC[C@H]1C 1320828325 HOXWSWKRJIVIFI-MLGOLLRUSA-N 260.333 3.656 30 20 CHED Cc1cnn(-c2ccccc2)c1NC(=O)CCCCCC#N 1323385931 WITPSNJNOZCQFC-UHFFFAOYSA-N 296.374 3.593 30 20 CHED Cc1nn(C)cc1CSCCC1(C#N)CCCCC1 1325412743 HFCQFLHVARBSIO-UHFFFAOYSA-N 277.437 3.826 30 20 CHED Cc1csc(CCCN[C@@H]2CCc3ccc(C#N)cc32)n1 1324589397 VPXHLMRWTKWXDZ-MRXNPFEDSA-N 297.427 3.533 30 20 CHED Cc1cccnc1NN=C1C[C@@H](C)c2c(C)ccc(O)c21 1320815131 WRHGKZKDWOFJOX-GFCCVEGCSA-N 281.359 3.727 30 20 CHED C=C(C)CCC(=O)Nc1ccc(C)c(-c2ncco2)c1 1336406391 YTNBSTLJLWJQJD-UHFFFAOYSA-N 270.332 3.945 30 20 CHED CCn1cc(/C=C/C(=O)c2ccccc2SC)c(C)n1 1333840416 GSGHOZUMWWPHMC-MDZDMXLPSA-N 286.400 3.829 30 20 CHED COc1cccc([C@@H](C)Sc2nc(C)cc(C#N)n2)c1 1185726785 VRVJLZRDFSYUQV-LLVKDONJSA-N 285.372 3.519 30 20 CHED COc1cc2ccccc2cc1C(=O)O[C@@H]1CC[C@@H](C#N)C1 1344016366 FENXMEJQWVNWFQ-IUODEOHRSA-N 295.338 3.697 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 1197550434 ULCSKZFUCONFMD-HUUCEWRRSA-N 285.391 3.896 30 20 CHED C=C[C@H](C(=O)N(C)[C@@H]1CC[C@H](SC)C1)c1ccccc1 1263751460 BIRBTKBCIYGRHC-PMPSAXMXSA-N 289.444 3.699 30 20 CHED N#C[C@H](C(=O)c1ccc2ccccc2c1)c1cccc(F)n1 1344007249 YPYWCYOHJLSCGF-HNNXBMFYSA-N 290.297 3.864 30 20 CHED CC(C)[C@H](Nc1ccc(OCC#N)cc1)c1ccccn1 1348560845 OVFNPGRONNODIH-KRWDZBQOSA-N 281.359 3.793 30 20 CHED Cc1cc(F)c(C(=O)Nc2cccc(C#N)c2C)c(F)c1 1355859041 WHFGXZQFPXOSBW-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 1357668558 OXLDCFURYASYBH-MRXNPFEDSA-N 285.391 3.733 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccsc2C(F)F)c1 1438461636 CNYVGKGPTSGCAT-UHFFFAOYSA-N 296.273 3.949 30 20 CHED Cc1ccc([C@@H](C)NC(=O)[C@H](CC#N)c2ccccc2)s1 1355855625 WDMBOZBNFBXXKK-UKRRQHHQSA-N 298.411 3.931 30 20 CHED C=CC[C@@H](NC(=O)N1CCC[C@H]1CCC)c1ccncc1 1527473815 JITCLNSKLQYTAT-HZPDHXFCSA-N 287.407 3.673 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C)cc(C#N)c1 1528385885 CTVBMNGOZUXDTB-DZGCQCFKSA-N 256.349 3.632 30 20 CHED Cc1cc(N2CCCC[C@H]2CC(C)C)ncc1C#N 1458249070 UJIBKMZNXBPGNI-HNNXBMFYSA-N 257.381 3.667 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 1529884354 GLDWCRKWZUIOIH-LRDDRELGSA-N 288.366 3.786 30 20 CHED CCCC[C@H](C(=O)Nc1ccc(C#N)c(C#N)c1)C(C)C 1456925849 RONUQITZDFZHHV-INIZCTEOSA-N 283.375 3.831 30 20 CHED CCC[C@H](C(=O)Nc1cc(C#N)cc(C)n1)c1ccccc1 1523625462 YBLYGIGOPLVHMW-INIZCTEOSA-N 293.370 3.784 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 1462170839 MXMUYQKUZQPOJI-HUUCEWRRSA-N 286.350 3.852 30 20 CHED N#Cc1c(CNc2ccc(C3CC3)cc2)cccc1C(=O)O 1608191363 SMJYKLCCOOVYLD-UHFFFAOYSA-N 292.338 3.746 30 20 CHED C=CC[C@@H](SCc1ccc(SC)cc1)C(=O)O 1602850735 YNLYRIYRUZPGGU-GFCCVEGCSA-N 268.403 3.671 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CCC[C@H](C)[C@H]1C 1535810125 MXHABKFRMLWIEM-YNEHKIRRSA-N 251.370 3.684 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1F 1535455277 JQZPZCJXENDCJG-QWHCGFSZSA-N 274.339 3.852 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)N=c1cc(C)[nH]cc1C#N 1472692158 MUPSYMJBMHLCFU-MRXNPFEDSA-N 299.805 3.770 30 20 CHED Cc1sc(C(=O)O)cc1CN(CCC#N)CC(C)(C)C 1610589170 GCYIXSLTNCFTMG-UHFFFAOYSA-N 294.420 3.517 30 20 CHED C=CC[C@H](C)NCc1ccccc1Br 116927308 MCCLIMBJNGQVJN-JTQLQIEISA-N 254.171 3.503 30 20 CHED COc1ccc(Cl)cc1CN1CCc2c(C#N)cccc21 1643505801 NNTHVNGCOKNHQG-UHFFFAOYSA-N 298.773 3.783 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2NC(C)C)cc1C#N 1640666289 XWMNTRFXFDIWKI-UHFFFAOYSA-N 293.370 3.939 30 20 CHED CC(=O)c1c(F)cccc1OCc1ccc(F)c(C#N)c1 1641410508 QYJVDAKPYKDPGR-UHFFFAOYSA-N 287.265 3.618 30 20 CHED N#Cc1ccc(CNCc2cccc3ccoc23)cc1F 1659458577 YDXBTPVWFAYPID-UHFFFAOYSA-N 280.302 3.733 30 20 CHED N#Cc1ccc(F)cc1CN1CCC2(CCCC2)CC1 229959452 ADZSYHZEVVZULM-UHFFFAOYSA-N 272.367 3.854 30 20 CHED CC[C@@H](C)[C@H](C)N(Cc1cc(C#N)ccc1OC)C1CC1 1657284272 LLUVFQCNVXVFOB-KGLIPLIRSA-N 286.419 3.966 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1cc(C#N)cc(C)n1 1583805430 XFQANRVYYWLGBR-CQSZACIVSA-N 273.380 3.663 30 20 CHED COc1ccc(NC(=O)CCCc2ccccc2)cc1C#N 1597517929 HBKVGRVYCPPCME-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C[C@]1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCc2ccccc2C1 1596978436 NTAUJMPZDIORNF-YJLNNSPDSA-N 297.398 3.807 30 20 CHED C[C@@H]1CC(NC(=O)Nc2sccc2C#N)C[C@@H](C)C1 1671449702 NHJDOOOHCQGFIW-UWVGGRQHSA-N 277.393 3.566 30 20 CHED CSc1cccc(N(C)C(=O)Nc2ccc(C#N)cc2)c1 1672412028 HGSHNWVLAJGBSS-UHFFFAOYSA-N 297.383 3.948 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@@H](CCC)c2ccccc2)C1 1776157956 DAPGWWVFNDQCLV-FUHWJXTLSA-N 287.403 3.881 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(/C=C/C(=O)O)cc1 1777476698 WDMWXCJEOCEFML-MKKAVFGOSA-N 282.295 3.582 30 20 CHED CC[C@H](C)[C@@H]1CCC(=NNc2cccc(C(=O)O)c2)C1 1776037310 YICDTIUFICZMDG-NWDGAFQWSA-N 274.364 3.999 30 20 CHED C=CCc1ccccc1CN1Cc2ccc(C(=O)O)cc2C1 1776188198 RWHWBENXAACZKS-UHFFFAOYSA-N 293.366 3.629 30 20 CHED Cc1cccc2c1CC/C(=C\c1cccc(C(=O)O)c1)C2=O 1777457207 FIGOCDLDLDKKLJ-GXDHUFHOSA-N 292.334 3.906 30 20 CHED Cc1ccc([C@@H](C)C=NNc2ccc(CC(=O)O)cc2)cc1 1776085475 PFHLMIIKENVHEP-AWEZNQCLSA-N 296.370 3.824 30 20 CHED CCN(CC)CCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 19914945 DHTJGZHEAHXZCR-HZPDHXFCSA-N 287.451 3.719 30 20 CHED C=C(C)CNC(=O)CCCc1ccc2ccccc2c1 161024144 RUPYLGHYUJCRAQ-UHFFFAOYSA-N 267.372 3.855 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 162045923 LARGLEMUJPOPTC-SFHVURJKSA-N 294.354 3.901 30 20 CHED N#CCCCCN1CCC[C@H]1CCc1ccccc1 160971265 VSKLOADKAMSBIU-KRWDZBQOSA-N 256.393 3.777 30 20 CHED C=CCC[C@H](NC(=O)c1c(C)noc1C)c1ccccc1 154243039 CLLUUWCHBMCYGE-HNNXBMFYSA-N 284.359 3.729 30 20 CHED C=CCN(Cc1cc(-c2ccccc2)no1)C(C)C 917070953 KRXGXPSHFBXLOY-UHFFFAOYSA-N 256.349 3.738 30 20 CHED CCCCCCCC(=O)N(C)c1ccccc1C#N 127454787 FUBPORFYXLQSJX-UHFFFAOYSA-N 258.365 3.882 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2ccccc2c1 136228547 TYCWODPHGYRFDS-MRXNPFEDSA-N 252.317 3.718 30 20 CHED N#Cc1ccc(N2CC[C@H](c3ccccc3)C2)c(F)c1 50600484 HLFYJRAHHAINOR-HNNXBMFYSA-N 266.319 3.691 30 20 CHED CCCC[C@@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 500549465 WTEGYCOJIFIOJX-SNVBAGLBSA-N 264.756 3.976 30 20 CHED N#Cc1c(Cl)cccc1NC[C@H]1CC1(Cl)Cl 309523396 AFLFEVWXPFZVQS-SSDOTTSWSA-N 275.566 3.817 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](C)C1CCC1 457435799 NEWMETMAGWCMRX-CQSZACIVSA-N 257.377 3.637 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1sc2ccccc2c1Cl 701174671 FRXCDHRZEBSCDQ-SNVBAGLBSA-N 292.791 3.833 30 20 CHED C[C@@H](N[C@@H](C1CCC1)C1CC1)c1ccc(C#N)cc1 324668063 KHYCYMPATMLEMZ-PXAZEXFGSA-N 254.377 3.788 30 20 CHED C[C@@H](SCC(C)(C)C)C(=O)Nc1cccc(C#N)c1 440593820 KCZGJRFIOQWAIO-LLVKDONJSA-N 276.405 3.665 30 20 CHED Cc1cscc1CNc1ncc(C#N)cc1Cl 362673944 YEBQINUYWSXMDJ-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc2c(c1)CCCO2 695837004 PLQBVDAGBCBKAA-GFCCVEGCSA-N 258.365 3.752 30 20 CHED COc1cc(CNCC(C)(C)CC(C)C)ccc1C#N 391156742 RMPPDQSWIFOLAD-UHFFFAOYSA-N 274.408 3.729 30 20 CHED C=CC[C@H](CC)NCc1cnc(C(C)(C)C)s1 393775419 WYVZILMJLMLTRK-NSHDSACASA-N 252.427 3.885 30 20 CHED CC(C)[C@H](CC(=O)N(C)[C@@H](C)CC#N)c1ccccc1 103441059 XSTOROWIJNZXFD-HOCLYGCPSA-N 272.392 3.577 30 20 CHED CSCC[C@@H](C)Nc1ccc(C#N)c(Cl)c1 135476662 MWEIUEKTXVLXIM-SECBINFHSA-N 254.786 3.765 30 20 CHED N#Cc1ccnc(SCCOC2CCCCCC2)c1 118612299 JNXUAZAFQFZXAX-UHFFFAOYSA-N 276.405 3.785 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2cccnc2Cl)cc1 171350742 ORDXHEHBYPRLAG-JXMROGBWSA-N 286.762 3.697 30 20 CHED Cc1ccccc1-c1nc(C(=O)O[C@H](C)CC#N)cs1 113684979 UDZVKNLGKWANRS-LLVKDONJSA-N 286.356 3.578 30 20 CHED Cc1nc(S[C@@H](C#N)C2CCCCC2)oc1C 115187045 CJCGOTSNGLAALU-LBPRGKRZSA-N 250.367 3.856 30 20 CHED C=CC1CCN(C(=O)c2occc2-c2ccccc2)CC1 110969130 YMOBBEABOMPMQQ-UHFFFAOYSA-N 281.355 3.985 30 20 CHED C=CCCCC(=O)N(C)Cc1ccc(Cl)c(F)c1 179460340 DAABBKWOAZHKCB-UHFFFAOYSA-N 269.747 3.794 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCc1ccc(Cl)cc1 178556509 IEZLLUUBGFEBKD-UHFFFAOYSA-N 299.761 3.842 30 20 CHED Cn1nccc1/C=C1\CCCc2ccc(Cl)cc2C1=O 117107713 SBAYAMBCOPBVMK-FMIVXFBMSA-N 286.762 3.676 30 20 CHED C#CCCCCC(=O)N(C)c1cccc(SC)c1 119972185 XHGIKNZDVWXKSH-UHFFFAOYSA-N 261.390 3.565 30 20 CHED C=CCN(Cc1cccs1)Cc1cc(C)ccc1O 119941944 BASICCFQCFSADB-UHFFFAOYSA-N 273.401 3.950 30 20 CHED CN(CCc1cccc2ccccc12)C[C@@H](C#N)CCC#N 112560164 WIJSKHMIXNTKIF-MRXNPFEDSA-N 291.398 3.758 30 20 CHED CCC(C)(C)CC(=O)N(CCC#N)CC(C)(C)C 344491352 DUTRIUXPZFTOIC-UHFFFAOYSA-N 252.402 3.601 30 20 CHED C=CC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc23)CC1 302181361 NYIXKVQRAYDZQZ-UHFFFAOYSA-N 297.358 3.854 30 20 CHED O=C(CCC1CC1)Nc1cccc(C#Cc2ccccn2)c1 115015284 DAVBEYLVNJXNKJ-UHFFFAOYSA-N 290.366 3.610 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(C#N)c1 173100476 ONBACQGERXGJGD-GFCCVEGCSA-N 281.359 3.585 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(C)cc1 116863609 NYPIYMIQYWJTSS-OLZOCXBDSA-N 263.406 3.556 30 20 CHED C[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@H]2CCCC[C@H]12 302205041 WQWKQJKHZPJRCP-QKCSRTOESA-N 275.783 3.622 30 20 CHED CC(C)[C@H](C)CC(=O)Nc1cccc(OCCCC#N)c1 67816670 ZQZGQWFWCBLJGM-CQSZACIVSA-N 288.391 3.990 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc(CC)s2)CC1 177913893 RTDYWPHZHFBHTF-CYBMUJFWSA-N 278.465 3.612 30 20 CHED C=C(C)CN1CCC(Oc2cc(C)ccc2C)CC1 64631825 XHEWTGZRWANTBX-UHFFFAOYSA-N 259.393 3.723 30 20 CHED CCO[C@@H](CNc1cccc(F)c1C#N)c1ccccc1 302837052 XDTYBDOXHRBAJT-KRWDZBQOSA-N 284.334 3.887 30 20 CHED COc1ccc(CNc2c(C#N)cccc2C#N)cc1Cl 302889335 OWFSVTGRLRGJDA-UHFFFAOYSA-N 297.745 3.704 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 65775749 HBSJMOKSQYTUNV-UHFFFAOYSA-N 297.373 3.626 30 20 CHED C=C[C@@H](C)N[C@H]1CCc2c(F)cc(Br)cc21 122955596 CHENXHSVVXKTCP-OQPBUACISA-N 284.172 3.740 30 20 CHED C=CCN(CCC(=O)OC(C)(C)C)Cc1ccccc1F 65611749 LKLPAKXLDJETPW-UHFFFAOYSA-N 293.382 3.546 30 20 CHED CC[C@@H](CC#N)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 183964007 QHKDCLUULVOUNK-STQMWFEESA-N 298.308 3.531 30 20 CHED C[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H](c2ccccc2)O1 301133523 YSGUQVBMFBTKAU-ACJLOTCBSA-N 296.345 3.664 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1F 125940285 LBEHLWTXRLVMNL-LLVKDONJSA-N 298.789 3.704 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@@H]1C 185919051 SGMMQODHSGLRPU-JSGCOSHPSA-N 286.375 3.722 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)C1CCCCC1 181113428 VIKUPDYMUXLRFU-ZDUSSCGKSA-N 252.402 3.705 30 20 CHED COCc1cc(CNc2ccc(C#N)cc2F)ccc1F 301171498 DSOANMVASDZJIH-UHFFFAOYSA-N 288.297 3.595 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccccc1Oc1ccccc1 183851854 SSJLPVVNKKMPJH-CQSZACIVSA-N 294.354 3.901 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1)c1ccncc1 183233071 XOXZPPXONFKKKT-UHFFFAOYSA-N 280.371 3.971 30 20 CHED Cc1ccc(C#N)c(N(C)C[C@@H](C)c2ccccc2)n1 500250571 DDZKOHOTAZTEJG-CYBMUJFWSA-N 265.360 3.502 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CC12CC2 417337968 MIBRGFQEJDLSAY-DOTOQJQBSA-N 266.388 3.715 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)cc1SC 417233146 NPXFYTYESANDPN-LLVKDONJSA-N 264.394 3.803 30 20 CHED COC(=O)c1ccc(CSCC2(C#N)CC2)cc1Cl 419524823 SATZOKRKGJYFPM-UHFFFAOYSA-N 295.791 3.664 30 20 CHED CCN(Cc1cccc(OCCCC#N)c1)C(C)C 126358309 AAWUAAXMTMCXPO-UHFFFAOYSA-N 260.381 3.599 30 20 CHED C=C[C@@H](CC(=O)NC1Cc2ccccc2C1)c1ccccc1 185748476 MAQYPZNRIDHCIS-HNNXBMFYSA-N 291.394 3.630 30 20 CHED CC(C)(C)c1csc(CCN[C@@H]2CCC[C@@H](C#N)C2)n1 185820150 JHXZFDWWWCXGPP-CHWSQXEVSA-N 291.464 3.655 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CCOc1ccccc1F 122880370 SDGXMHWFWREFQK-AWEZNQCLSA-N 298.361 3.769 30 20 CHED C=CCN(CCc1ccccc1)[C@H](C)c1ccncc1 75673967 KWJZAVNEZQJRAA-MRXNPFEDSA-N 266.388 3.873 30 20 CHED CC(C)(CCC#N)CNc1ccc([N+](=O)[O-])c2ncccc12 413297718 JSXQMBGTHJWDHC-UHFFFAOYSA-N 298.346 3.885 30 20 CHED C=C[C@@H](C)NC(=O)NCc1ccc(C)cc1OC(C)(C)C 128077987 JKEJUSMMBCFHBX-CYBMUJFWSA-N 290.407 3.546 30 20 CHED N#Cc1cc(F)c(N2CCSC3(CCC3)CC2)c(F)c1 413482870 OWLVKWOHYSIGMC-UHFFFAOYSA-N 294.370 3.702 30 20 CHED C=CCC[C@@H](CC)Nc1cccc2c(=O)n(C)ccc12 502365244 KIEMFWFWEFIWQW-CYBMUJFWSA-N 270.376 3.695 30 20 CHED Cc1cc2c(cc1N[C@H](C#N)C1CCCCC1)OCO2 180220304 OABZSFAWUYNLRX-CQSZACIVSA-N 272.348 3.608 30 20 CHED CCCCCCCCCNC(=O)NCc1ccccn1 125016908 PCAQSVCFAMCTSQ-UHFFFAOYSA-N 277.412 3.631 30 20 CHED Cc1cc2occ(C(=O)O[C@@H](C#N)C3CC3)c2cc1C 187521105 DBBRUELBBDHQAP-HNNXBMFYSA-N 269.300 3.509 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2)cc1O 126510221 ZLGXVXFVDQQHDO-DUXPYHPUSA-N 290.265 3.575 30 20 CHED Cc1cc(CNC(=O)C(C)(C)C#N)ccc1-c1ccccc1 188387024 XYGRIYOIPCZIKN-UHFFFAOYSA-N 292.382 3.828 30 20 CHED CC(C)CCC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 128860792 GWYNJJZWKPAZHS-ZDUSSCGKSA-N 299.399 3.818 30 20 CHED Cn1nccc1/C=C/C(=O)c1cc2cc(Cl)ccc2o1 79134520 TVDONCCEMYJVSH-ONEGZZNKSA-N 286.718 3.716 30 20 CHED CCc1cccc(Oc2c(C#N)nnc3ccccc23)c1 77165271 OWRCVCKLJQVHDR-UHFFFAOYSA-N 275.311 3.856 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(OC)cc(OC)c1Cl 413932882 OHAXOSCDACAQLV-UHFFFAOYSA-N 283.755 3.508 30 20 CHED C=C(C)CCN(CC(=O)OCC)[C@H](C)c1ccccc1 508967137 LOYLNZBDNBODJV-OAHLLOKOSA-N 275.392 3.579 30 20 CHED Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)ccc1F 132520415 GRZMCSPKAAINDS-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CCOc1cc(NC(=O)c2cccc(C#N)c2C)ccc1C 509512513 VGUXGXOEZZKYEO-UHFFFAOYSA-N 294.354 3.826 30 20 CHED Cn1cnc(N=C(O)C2(C3CCCCC3)CCCCC2)n1 329255513 AORPEVHCLUTEOG-UHFFFAOYSA-N 290.411 3.934 30 20 CHED CCCC[C@H](CC)CC(=O)N[C@@H](C#N)C(C)(C)C 85431363 RQNYYZGDJSVGOW-STQMWFEESA-N 252.402 3.647 30 20 CHED CN(c1ccc(C#N)c(C(F)(F)F)c1)C1CCC1 135825221 PTOKPAUKGPEODP-UHFFFAOYSA-N 254.255 3.566 30 20 CHED N#Cc1cc(NC(=O)/C=C\c2ccccc2)ccc1Cl 48824347 JBEUZHNXJSMTPO-TWGQIWQCSA-N 282.730 3.864 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@@H](C)c2cccs2)c1 43984769 NWGLIVSHCCSYFT-LBPRGKRZSA-N 284.384 3.954 30 20 CHED N#CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 132660893 KUQDJCXGHHTRTP-INIZCTEOSA-N 298.773 3.654 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)C12CC3CC(CC(C3)C1)C2 194080050 CMRFDENRICHIGD-PPJGCQSWSA-N 285.435 3.624 30 20 CHED C=C(C)CN(CC)C(=O)c1cscc1Br 284982933 BWQRKRAWVXHABV-UHFFFAOYSA-N 288.210 3.549 30 20 CHED C=CCC1(C(=O)Nc2cnc3ccccc3c2)CCC1 191649454 CRQOYYJOVLTJBL-UHFFFAOYSA-N 266.344 3.920 30 20 CHED C[C@@H](CCN(CCC#N)Cc1cccnc1)c1ccccc1 193598319 HTABKNWWNWZGRF-KRWDZBQOSA-N 293.414 3.991 30 20 CHED N#Cc1cnc(NCc2ccc3ncccc3c2)c(Cl)c1 193004632 NHYVRTYJVGCXJM-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1 46062322 DIVICNCXAQAZJS-UHFFFAOYSA-N 299.761 3.876 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1cc(F)cc(F)c1 88305130 LUEFHTHGARWOFW-ONEGZZNKSA-N 279.673 3.909 30 20 CHED N#Cc1cc(Cl)ccc1CO[C@@H]1CCCc2c[nH]nc21 190143600 YCVIXBHKTKSOKO-CQSZACIVSA-N 287.750 3.529 30 20 CHED COc1ccc(C(C)=O)c(O[C@@H](C)c2cccc(C#N)c2)c1 190087620 ZDIYKHJAIMKLQE-ZDUSSCGKSA-N 295.338 3.909 30 20 CHED C=C(C)CCN[C@@H](COC)c1ccc(Cl)cc1 510779806 LPCYLHIURGXTCO-AWEZNQCLSA-N 253.773 3.583 30 20 CHED CC1(C)C[C@H](/N=C(/O)c2ccnc(C3CC3)c2)C(C)(C)O1 329322069 GWMZNRNXYZHYCR-AWEZNQCLSA-N 288.391 3.610 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)Nc1cccc(CC#N)c1 516627233 DLEUVOJYAKRKGI-UHFFFAOYSA-N 291.354 3.586 30 20 CHED CCOc1ccc(/C=C/c2ccc(C#N)cn2)cc1 193445584 YOUJULKYIQFTHL-XVNBXDOJSA-N 250.301 3.522 30 20 CHED CC(=O)Nc1cccc([C@@H](C)NCCCC(C)(C)C#N)c1 87597448 IETQKPOOMUWPRY-CYBMUJFWSA-N 287.407 3.626 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)NCCC1CCCCC1 46902631 QYYZGZIBEZEKNC-UHFFFAOYSA-N 299.418 3.670 30 20 CHED CC[C@@H](CC#N)NCc1ccc(C(F)(F)F)cc1C 191115543 VCJHIROIVWYAFY-ZDUSSCGKSA-N 270.298 3.796 30 20 CHED CC(C)C1(C)CCN(C(=O)c2cccc(CC#N)c2)CC1 190349036 YXGDHFNJKUNAKN-UHFFFAOYSA-N 284.403 3.651 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)N(CCC#N)c1ccc(F)cc1 519575450 XVJFEUDJVYTFCH-UONOGXRCSA-N 288.366 3.899 30 20 CHED CCCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 425081213 CZNQPLBOLIVYJB-NSHDSACASA-N 298.308 3.746 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N[C@](C)(C#N)C(C)C 424633726 WTOHGJZBDSNHHK-CRAIPNDOSA-N 286.419 3.618 30 20 CHED CCCc1nc(/C(O)=N/CC2(OC)CCC(C)CC2)co1 330410920 JWZAUWYURCNNRN-UHFFFAOYSA-N 294.395 3.527 30 20 CHED CC(C)C[C@H](C)CSCC(=O)Nc1ccc(C#N)cc1 512841279 ZODYGBHTOCVFBB-ZDUSSCGKSA-N 290.432 3.912 30 20 CHED COc1c(Cl)cccc1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331282865 LSSSYMUFLBOGFD-NXEZZACHSA-N 282.771 3.863 30 20 CHED C=CCCN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 425531232 HAJLMFAMSCZFCO-LBPRGKRZSA-N 282.309 3.996 30 20 CHED CCOCc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 193891633 WPBVJATUISWNPI-OAHLLOKOSA-N 294.398 3.946 30 20 CHED COCCCCCOc1c(C)cc(Cl)cc1C#N 421196643 JPVNSIXKBBFSJX-UHFFFAOYSA-N 267.756 3.716 30 20 CHED Cc1cc(C#N)ccc1CN1CC=C(C(F)(F)F)CC1 614403329 SJKBQKDEYFEZIP-UHFFFAOYSA-N 280.293 3.561 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC(=O)c1occc1-c1ccc(F)cc1 336380859 KWEFXWGJCXFGED-WFASDCNBSA-N 298.317 3.508 30 20 CHED N#Cc1cccc(CN2CC[C@H](c3ccccc3F)C2)c1 337512386 SCRLENNBWDZCQG-INIZCTEOSA-N 280.346 3.687 30 20 CHED CCCCN(C(=O)c1cccc(C#N)c1C)[C@H](C)CC 510472436 GBLQRAJTPPHEMH-CYBMUJFWSA-N 272.392 3.908 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1 266310794 AFUKMCTVAUNWDQ-CHWSQXEVSA-N 273.380 3.699 30 20 CHED COc1cc2nc(C)sc2cc1N=C(O)NC(C)(C)C 330940678 DXNKLYUZNALGHM-UHFFFAOYSA-N 293.392 3.547 30 20 CHED CCn1c(SCc2ccc(C#N)cn2)nc2ccccc21 515114863 NXNWKVGYZVCRPX-UHFFFAOYSA-N 294.383 3.615 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCC2(CCC2)C1 338786638 ICBYGEWDWLTJBA-UHFFFAOYSA-N 286.423 3.502 30 20 CHED COc1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1C#N 430935337 PLWANSKQUNKSIT-UHFFFAOYSA-N 277.327 3.727 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)CC(C)(C)C#N 336388954 ITYPARIVRONVJJ-GDBMZVCRSA-N 284.403 3.721 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccncc1 335954150 UWOONCYMQAYPSI-UGSOOPFHSA-N 277.371 3.681 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 435008244 LPPQZTZZIFCPFX-GOEBONIOSA-N 296.414 3.532 30 20 CHED CCc1cc(C(=O)Nc2snc(C)c2C#N)sc1C 334805635 LHMXQUDGCOSIGS-UHFFFAOYSA-N 291.401 3.508 30 20 CHED C=CCOc1cccc(NC(=O)C(C#N)(CC)CC)c1 528166290 OMAJPCGLOVNKBJ-UHFFFAOYSA-N 272.348 3.520 30 20 CHED Cc1cocc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 528487488 DOGDFAHJVXAHQE-INIZCTEOSA-N 296.370 3.880 30 20 CHED N#CCCCCN1CCC[C@]2(CCc3ccccc3O2)C1 528732603 BXVFZKOTRJGMTK-SFHVURJKSA-N 284.403 3.540 30 20 CHED CC[C@H](CN[C@H]1CCC[C@@H](C#N)C1)Oc1cccc(F)c1 248927345 XKESIEOAKRSITR-VNQPRFMTSA-N 290.382 3.655 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccccc1[N+](=O)[O-] 521067483 VZYALPJSCJVUQX-UHFFFAOYSA-N 296.370 3.826 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1cccc(Oc2ccccc2)c1 431528013 IMLCRGJWPFYUTQ-SFHVURJKSA-N 297.354 3.745 30 20 CHED COc1cc([C@@H](C)Nc2cc(Cl)ccc2C#N)ccn1 340882540 ADBMGWSFJBNUEX-SNVBAGLBSA-N 287.750 3.788 30 20 CHED C[C@@H](CCC#N)CNC[C@H](C)Oc1ccccc1Cl 602557017 ISHSFHDPTJDFIC-STQMWFEESA-N 280.799 3.637 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(Br)c(C)c1 522659289 MQMXHEQJRIKERU-JTQLQIEISA-N 297.196 3.844 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2cccc(C#N)c2)C1 603645880 ZVWMRERKKFKCEE-MAUKXSAKSA-N 297.402 3.991 30 20 CHED CCN(C[C@H](C)CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 602618219 RQZKXYSTRIYSLI-IEBWSBKVSA-N 299.462 3.523 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccn(C(C)C)n2)CCCC1(C)C 347481605 JSMQTENPQMSCRZ-HNNXBMFYSA-N 289.423 3.671 30 20 CHED N#Cc1c(F)cccc1Oc1ccc2c(c1F)CCC2=O 343829659 CIHDGEAATWOMMI-UHFFFAOYSA-N 285.249 3.758 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)NC[C@@H](C)CCC#N 602704044 BBFYBKVWJWNXSD-BBRMVZONSA-N 262.372 3.676 30 20 CHED 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C[C@H](SCCOc1cccc(C#N)c1)c1cccnc1 289406623 OADYLELQVVULNE-ZDUSSCGKSA-N 284.384 3.826 30 20 CHED N#CCc1ccc(CN2CC[C@H](c3ccccc3F)C2)cc1 550210605 IHPRIPRJHHPFAI-KRWDZBQOSA-N 294.373 3.881 30 20 CHED C#Cc1ccc(CN[C@@H](CC)c2nc(C)cs2)cc1 809616915 BTFWXOZWKHJXOR-HNNXBMFYSA-N 270.401 3.674 30 20 CHED CC(C)(C#N)CCN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 558116442 ISQIKJLFYDFYGK-GJZGRUSLSA-N 292.810 3.699 30 20 CHED C=CCOc1ccc(CN[C@@H](C)CCCCO)cc1Cl 295083812 QSAFLSVQSKYBCL-ZDUSSCGKSA-N 297.826 3.546 30 20 CHED C=CCCCCNC(=O)CCc1ccc(Cl)cc1 471675788 IDWCJHAQZCRHBM-UHFFFAOYSA-N 265.784 3.745 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 568700149 ZTBMNPWLSNODJB-OTWHNJEPSA-N 298.430 3.729 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1Cc2ccccc2S1 805221836 VWFHUBXUWFWCAD-INIZCTEOSA-N 289.444 3.956 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(-c2ccco2)cc1F 806479568 ZTNTTXJRXNKSBG-GFCCVEGCSA-N 286.306 3.619 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCC2(CCCCC2)CC1 569075705 NPINFWUKAYILKJ-UHFFFAOYSA-N 299.418 3.771 30 20 CHED N#CCCC1CCN(c2cccc(C(F)(F)F)n2)CC1 566159930 SZWSRCPIOSZEKO-UHFFFAOYSA-N 283.297 3.621 30 20 CHED CC[C@H](C)N(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 642080479 VCFJCKUXJOSCLL-INIZCTEOSA-N 291.394 3.957 30 20 CHED C=CCCCC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 471552481 SJIOGKRBCJDCKJ-GOEBONIOSA-N 275.367 3.934 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccc(OC(F)(F)F)cc1 297940133 AIBHGWYNBZTOFC-MNOVXSKESA-N 286.297 3.928 30 20 CHED Oc1ccccc1/C=N\C[C@@H]1CCCC(F)(F)C1 800720405 COQFJKGHZJFWIP-VBYYMIJXSA-N 253.292 3.637 30 20 CHED C=CCCCCCCNC(=O)c1c[nH]nc1-c1ccoc1 805221439 KCIPAWNTWDDWII-UHFFFAOYSA-N 287.363 3.536 30 20 CHED C#Cc1ccc(CNCCCc2ccccc2F)cc1 809657631 LHDZWSCBMWJTBI-UHFFFAOYSA-N 267.347 3.529 30 20 CHED N#CCc1ccc(CN2CC[C@H](c3ccccc3)C2)cc1 399000989 CBVYPBKZCIKQKI-IBGZPJMESA-N 276.383 3.742 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1 482641961 MPAFBJOOARNFMY-UHFFFAOYSA-N 299.729 3.561 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](c1ccccc1)C(C)C 810435184 AADBUHMFHZATNX-HXUWFJFHSA-N 291.394 3.724 30 20 CHED C=C[C@H]1CCCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 486462160 AMTSJFGDSICRIS-ZDUSSCGKSA-N 283.331 3.688 30 20 CHED CN(c1ccccc1)c1ccc(C=NOCC2CC2)cn1 814244403 RLEHUPNMVGTLTC-UHFFFAOYSA-N 281.359 3.610 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(Cl)c(F)cc1Cl 815505804 YNBDOAKLBZOPKF-LURJTMIESA-N 276.094 3.591 30 20 CHED C=CCCCC(=O)Nc1cc(C)nn1CCCCC 482635622 ULOUQUTUYFBWRU-UHFFFAOYSA-N 263.385 3.677 30 20 CHED Fc1cccc(NN=C2CC[C@@H]2C2CCC2)c1F 814859178 LWDZPALWJQJWAG-SNVBAGLBSA-N 250.292 3.943 30 20 CHED C=C(C)CCNC(=O)c1oc2c(F)cccc2c1C 650931263 UJKAKKZMJLAMEY-UHFFFAOYSA-N 261.296 3.576 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)on1 488863327 SQAWVOJELZVPBI-CQSZACIVSA-N 282.343 3.522 30 20 CHED C=CCCCCCCCNC(=O)c1c(C)cc(C)nc1O 813256749 KGAXFWNHGOILSV-UHFFFAOYSA-N 290.407 3.660 30 20 CHED CC#CCCN[C@H](C)Cc1ccc(Br)cc1F 482167532 WCBXVOQUCGNJHU-LLVKDONJSA-N 298.199 3.522 30 20 CHED CCCN(CCc1cccc(C)n1)Cc1ccc(C#N)cc1 575120240 OTIPZKDFZVHSJX-UHFFFAOYSA-N 293.414 3.716 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccc(C)cc1C 488863894 YDWYTHRZLKPFSF-KRWDZBQOSA-N 271.404 3.803 30 20 CHED CC(=NN[C@@H](C)COc1ccccc1)c1cccs1 811667220 QBJLIVKBTIQSNB-LBPRGKRZSA-N 274.389 3.529 30 20 CHED C=C(CNC(=O)N(CCC)C(C)C)c1ccccc1 654563338 FEYKNOKZVZBHNG-UHFFFAOYSA-N 260.381 3.530 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1ccc2c(c1)CCC2 819816230 YZQZTAKCPBISOI-ZDUSSCGKSA-N 279.387 3.645 30 20 CHED C(=NNc1ccccn1)c1cnc(-c2ccccc2)s1 727253581 JDDPDWZNVXFLJY-UHFFFAOYSA-N 280.356 3.651 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCC[C@H]2C[C@H]21 577078618 VCVCPVBONYHZPI-DZOHQFGASA-N 266.388 3.714 30 20 CHED C=CCCCCCN1CC[C@H](n2cc(Cl)cn2)C1 572411885 INLJOMQRBXPRAK-AWEZNQCLSA-N 267.804 3.530 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1CCSC1 495092018 LEVDBROKKUZCGB-QGZVFWFLSA-N 288.460 3.769 30 20 CHED C#C[C@@H](N[C@H](C)c1ccccn1)c1ccc(Cl)cc1 491689910 KXQZZSLXQJWRJO-IUODEOHRSA-N 270.763 3.760 30 20 CHED C=CCC(C)(C)CNC(=O)COc1cccc2ccccc12 490065545 GOFVQOPXBFEDPG-UHFFFAOYSA-N 297.398 3.937 30 20 CHED CCC1(NCc2ccc(N(C)CCC#N)cc2)CCCC1 824650142 JRNVVAOJTLZUKH-UHFFFAOYSA-N 285.435 3.849 30 20 CHED CCc1cc(NC(=O)c2cccc(F)c2C#N)ccc1F 586825984 ZURNGUJQGUVEAH-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C#Cc1cccc(N(C)C(=S)N[C@H]2CCCC[C@@H]2C)c1 728447852 CCEDTGRBNMBETN-BBRMVZONSA-N 286.444 3.557 30 20 CHED C=CCN(C(=O)[C@@H](C)C(C)C)c1nc2c(s1)CCCC2 497553420 NZVHLASYILIBEZ-LBPRGKRZSA-N 292.448 3.833 30 20 CHED CC[C@H](N[C@@H](C)Cc1ccncc1)c1cccc(C#N)c1 902831750 DOKGOZGDUKCQIA-KSSFIOAISA-N 279.387 3.625 30 20 CHED C#CCOc1ccccc1CNc1cc(C)nc(C(C)C)n1 734145362 NVYADKLQRXAYNE-UHFFFAOYSA-N 295.386 3.533 30 20 CHED CC#CCCNC(=O)c1cccc(N[C@H](C)C(C)C)c1C 498602907 DAZNKWIQQVYTTJ-OAHLLOKOSA-N 286.419 3.595 30 20 CHED CN(CCc1ccc(Cl)cc1)C(=O)CCCCCC#N 588163191 BJOBNARBARKUCK-UHFFFAOYSA-N 292.810 3.815 30 20 CHED C=C(C)[C@@H](NCc1conc1CC)c1ccc(F)c(F)c1 660313723 ZXEZWVAKCIFIAY-MRXNPFEDSA-N 292.329 3.922 30 20 CHED C=CCC1(NC(=O)N[C@H]2CCCc3occc32)CCCC1 663680816 UAQQIYQXRYISLC-AWEZNQCLSA-N 288.391 3.845 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1cncn1C(C)C)C2=O 901531772 NAQRZXQZALPNHT-NVNXTCNLSA-N 280.371 3.903 30 20 CHED C=CC(C)(C)COC(=O)CCc1cc2ccccc2nc1O 835722742 IOKUDIAFNXGCLD-UHFFFAOYSA-N 299.370 3.628 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 835340127 JZFAXBCLSNSYSH-MELADBBJSA-N 277.751 3.679 30 20 CHED CC(C)(C#N)CC(=O)Nc1csc(-c2ccccc2)n1 588079578 FZEYFJDUQWQOHK-UHFFFAOYSA-N 285.372 3.688 30 20 CHED CCC(CC)(NCCOCCC#N)c1ccc(Cl)cc1 582799572 YEYJRCHHSIYOBR-UHFFFAOYSA-N 294.826 3.875 30 20 CHED C=C[C@H](CC)Cc1nc(-c2c(C)nsc2C)no1 904079561 INYNVKYIIAOGLH-SNVBAGLBSA-N 263.366 3.565 30 20 CHED Cc1cc2ccccc2n1CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839059103 VPFOCRMTHGTLPX-GDBMZVCRSA-N 296.370 3.575 30 20 CHED C=CCCCCOC(=O)c1cc(Cl)cc(Cl)n1 837616077 GUOIVTLBPPIKLK-UHFFFAOYSA-N 274.147 3.902 30 20 CHED CSc1cccc(NC(=O)C#CC(C)(C)C)c1C 837515876 XLYAZDDHDAEKEH-UHFFFAOYSA-N 261.390 3.705 30 20 CHED CC(C(=O)Nc1sc2c(c1C#N)CCC2)=C1CCC1 839215361 IEPWTGPBINAUOI-UHFFFAOYSA-N 272.373 3.547 30 20 CHED CC(C)(C)CCCC(=O)O[C@@H]1CCC[C@H](C#N)C1 839053522 SWMCQQXNSAKZQE-QWHCGFSZSA-N 251.370 3.828 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1coc2ccccc12 581742027 DEMKKRQAGUBBOJ-CYBMUJFWSA-N 271.360 3.836 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H](OC)[C@H](C)C1 836463328 WYYZFFIJEWGIGG-HZPDHXFCSA-N 296.455 3.579 30 20 CHED C#CCCCCCC(=O)OC[C@]1(C)CC1(Cl)Cl 837621758 NOGXRQJLUKFTHQ-LBPRGKRZSA-N 277.191 3.697 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CCC2(CCC2)CC1 588022492 VSXHSNZENTYPKU-KRWDZBQOSA-N 296.414 3.552 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(O[C@@H](C)CC)cc1 736969519 RCTIYUPGCBABSB-NSHDSACASA-N 282.771 3.738 30 20 CHED CCOc1ccc(C(C)=NNc2ccccc2[N+](=O)[O-])cc1 916250189 QDYSXAOPDUKZQG-UHFFFAOYSA-N 299.330 3.830 30 20 CHED C=CCC[C@@H](Nc1ccc2cnn(CCOC)c2c1)C1CC1 679140666 HYJRTTXANXLMPI-QGZVFWFLSA-N 299.418 3.839 30 20 CHED CCC[C@H](C#N)NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 598896660 LXARKEVDMLOLPH-LLVKDONJSA-N 289.766 3.552 30 20 CHED O=C(O)c1ccccc1NN=C1CCCC12CCC2 834934585 FFDFZDJONFYGOJ-UHFFFAOYSA-N 258.321 3.507 30 20 CHED Cc1cc(F)cc(C)c1C(=O)NCC(C)(C)CCC#N 597656418 LZVLNTWWVJFNGL-UHFFFAOYSA-N 276.355 3.502 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)CC1(C#N)CCCCC1 597471563 PBYNDNJRVIIKCS-ZIAGYGMSSA-N 262.397 3.640 30 20 CHED CCC(=NNc1ccc(F)cc1F)c1ccc(O)cc1 916248081 JHEUFAFWSXJGAK-UHFFFAOYSA-N 276.286 3.897 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)c2ccccn2)CCCC1 910346639 ZPQYTKNJWCYDAL-AWEZNQCLSA-N 272.392 3.785 30 20 CHED CC[C@@H](OCCN(C1CC1)[C@@H](C)C#N)c1ccccc1 595709279 DEFJYSKSCFCUKW-WMLDXEAASA-N 272.392 3.531 30 20 CHED CC(C)c1ccc2c(c1)CN(c1ncccc1C#N)CC2 596413398 YISJULRHAOQBAI-UHFFFAOYSA-N 277.371 3.639 30 20 CHED CCCCCCCC(=O)N1CCS[C@@H](C(C)C)C1 742906072 UPFFMOVUJLLCJM-CQSZACIVSA-N 271.470 3.947 30 20 CHED COc1cc(C/N=C\c2ccccc2O)c2ccccc2n1 741843125 JARKRCWEXCUKBQ-ODLFYWEKSA-N 292.338 3.568 30 20 CHED C#CC(C)(C)NC(=O)/C=C(\CC)c1cccc(Cl)c1 744510085 CHSZWNODYDINBX-VAWYXSNFSA-N 275.779 3.661 30 20 CHED CC[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 595092453 VUVHJAHMVIBGBV-OALUTQOASA-N 292.382 3.992 30 20 CHED COC(=O)c1ccc(Cl)c(NCC2(CC#N)CC2)c1C 594708506 ZUTBVIACCSAXFC-UHFFFAOYSA-N 292.766 3.541 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 598897165 XKIUGOFKCPTGFB-HNNXBMFYSA-N 289.766 3.552 30 20 CHED CCOc1cccc(/C=C2/Oc3cc(O)cc(C)c3C2=O)c1 915988713 CQQIUUUOMALWLK-CXUHLZMHSA-N 296.322 3.716 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)OC)s1 748094755 FPVXSFQXJWYMLV-UHFFFAOYSA-N 283.393 3.834 30 20 CHED Cc1ccc(-c2n[nH]c(SCC3(C#N)CCCC3)n2)cc1 916032513 OWNIRHDRIDGTIP-UHFFFAOYSA-N 298.415 3.956 30 20 CHED C=CCN(Cc1c(O)ccc2ccccc12)C(C)C 917482220 HQBJSUVAPNIHFY-UHFFFAOYSA-N 255.361 3.942 30 20 CHED Cc1cnc(C(C)(C)N[C@H](C#N)c2ccccc2)s1 595430261 UAGPHDKGQGMHEL-CYBMUJFWSA-N 271.389 3.541 30 20 CHED Cc1c(NN=C[C@@H]2CC[C@H](C)C2)cccc1C(=O)O 844622570 GHAJOCXNBNCLEW-CMPLNLGQSA-N 260.337 3.527 30 20 CHED C=CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C 746448634 CFHUCRAFDANLKM-UHFFFAOYSA-N 297.320 3.833 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NCCCCC#N 595009944 FHXZCVDTXYVVCI-HNNXBMFYSA-N 264.800 3.945 30 20 CHED C/C(=C\C(=O)N[C@H](C#N)C1CCCCC1)C(C)(C)C 748720308 SHJDGCRBCYJNDW-IEZBTEQYSA-N 262.397 3.567 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@](C)(C#N)C1 591777987 ZSMLUPFBTVCMQA-VQIMIIECSA-N 298.430 3.716 30 20 CHED C=C[C@@H](C)ON=C1CCC(c2ccc(O)cc2)CC1 844626611 YCXCBZYTJCTXOJ-PZORYLMUSA-N 259.349 3.997 30 20 CHED N#Cc1csc(/C=C2\Oc3ccc(Cl)cc3C2=O)c1 748440168 JCJOCSJKRZGLLX-ACAGNQJTSA-N 287.727 3.889 30 20 CHED CCC(C=NNc1ncc(Br)cn1)(CC)CC 848419843 GZFGXQORDLOPLT-UHFFFAOYSA-N 299.216 3.853 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(C[C@@H](C)c2ccccc2)no1 685316792 LBHAZXCXECXTAX-FRFSOERESA-N 298.386 3.864 30 20 CHED CC1(C)C(=NNc2ccc(F)cc2F)[C@H]2CCCO[C@H]21 743417913 PHQBZTWWEAPIPJ-QMTHXVAHSA-N 280.318 3.568 30 20 CHED Cn1cccc1[C@H]1CCCCN1CCc1ccc(C#N)cc1 595334955 BRUPDYIMSAWFCX-LJQANCHMSA-N 293.414 3.666 30 20 CHED N#Cc1cnc2ccccc2c1N1CC[C@H](C2CCC2)C1 591204316 RCFDXPDDBLASCS-AWEZNQCLSA-N 277.371 3.733 30 20 CHED CCOc1cccc([C@@H](C)/N=C\c2cccc(OC)c2O)c1 745013028 SFFPAVCAIRBDCZ-CQLSMYGBSA-N 299.370 3.980 30 20 CHED CCCN(C)C[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 929782508 ZNQPPIJZBWMKRE-KRWDZBQOSA-N 291.483 3.514 30 20 CHED C=C[C@@H](CC(=O)OCCc1c(C)noc1C)c1ccccc1 758909097 SQZBRWJHKVVRRQ-HNNXBMFYSA-N 299.370 3.737 30 20 CHED CCc1cnc(CON=C(c2ccccc2)C(F)(F)F)o1 751963261 WWNPTZWSZXWERL-UHFFFAOYSA-N 298.264 3.720 30 20 CHED C=C(Cl)CNC(=O)c1cccc(NCC(C)(C)C)c1C 757388861 PPRBLIAVDSBVFE-UHFFFAOYSA-N 294.826 3.935 30 20 CHED C=CCCCCCN1CCC[C@H](C[C@H]2CCOC2)C1 683785708 OSAIUFFOPIJUGK-IAGOWNOFSA-N 265.441 3.871 30 20 CHED C#CCCCNC(=O)Nc1cc(C)cc(C(F)(F)F)c1 753243687 FOGCKPUKCUURLJ-UHFFFAOYSA-N 284.281 3.549 30 20 CHED CCCCNN=C(C)c1ccc(OCC(F)(F)F)cc1 920479825 SWJLOJAYYXIDLF-UHFFFAOYSA-N 288.313 3.741 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnn(CC(C)C)c1CC 685009680 KZJGFSUVPKZLBQ-ZDUSSCGKSA-N 292.427 3.578 30 20 CHED C#Cc1ccc([C@H](OC(=O)CCCF)C(F)(F)F)cc1 851076981 GHFZNSPSSQNHDJ-ZDUSSCGKSA-N 288.240 3.564 30 20 CHED C=CCC1(CN[C@H](C)c2ccnc(O)c2)CCCC1 926538610 AIMTXMMRZLRTTP-CYBMUJFWSA-N 260.381 3.574 30 20 CHED CC(C)n1ncc(C(=O)OCCCC#N)c1-c1ccccc1 753617062 OFIOHXMMUJYAFA-UHFFFAOYSA-N 297.358 3.592 30 20 CHED O=C(O)c1cc(NN=C/C=C/c2ccco2)ccc1Cl 920357295 CZEDTHVCLDEGGA-SIISZUACSA-N 290.706 3.742 30 20 CHED CC[C@H](CC(=O)Nc1ncc(C#N)s1)c1ccccc1 759633684 KTKPKKQAQOMMEH-LLVKDONJSA-N 285.372 3.537 30 20 CHED OCc1ccc(C=NNc2cccc3c2CCCC3)cc1 853294373 NMNCIOMDXAXDJP-UHFFFAOYSA-N 280.371 3.504 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2ccc(O)cc2O)c1 757471612 HMHFHMRNOLHCSS-VMPITWQZSA-N 268.312 3.611 30 20 CHED C[C@H](CC(=O)OCc1ccc(F)cc1C#N)c1ccco1 859815714 WZEUPOGQVWONAR-LLVKDONJSA-N 287.290 3.527 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)/C=C(/C)c1cccs1 857020712 IXTXCTYDYHEQBN-KVNDZABWSA-N 294.416 3.923 30 20 CHED C=CC[C@H](N[C@@H]1CS[C@H](C(C)C)C1)c1ccncc1 754124227 UHDUTAOZGGKGQZ-JYJNAYRXSA-N 276.449 3.819 30 20 CHED C#CCCCCNC(=O)NC1(Cc2ccccc2)CCCC1 758579118 NUJGSKAZBLGOGS-UHFFFAOYSA-N 298.430 3.645 30 20 CHED COc1cccc(COC(=O)[C@@]2(C#N)CC23CCCC3)c1C 857661063 GOLKKXHJZNLLQR-SFHVURJKSA-N 299.370 3.521 30 20 CHED N#CC[C@@H]1CCCN(C(=O)NCC2CCCCCCC2)C1 852000706 XRZQGLWPWRHGNI-INIZCTEOSA-N 291.439 3.682 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2ccccc2[C@@H]1C 932177180 LIBGQIXQEFFACY-KBPBESRZSA-N 257.377 3.735 30 20 CHED C[C@H](OC(=O)C[C@@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 759548741 YCBRUNWJQNJBDF-HZSPNIEDSA-N 271.360 3.989 30 20 CHED Cc1cc(N2CCC[C@@](C)(C#N)C2)nc2ccccc12 1342212816 ONUBFRISUXOWOI-KRWDZBQOSA-N 265.360 3.673 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 767252667 QVEPBLRBAMCVIF-QCZZGDTMSA-N 296.197 3.577 30 20 CHED Cc1ccc(C=NNc2ccnc(Br)c2)cc1 769810916 SQMBISKXTYKPMT-UHFFFAOYSA-N 290.164 3.599 30 20 CHED CCCCCCCOC(=O)Cc1ccccc1NC(C)=O 769461679 IHJXBUJVSXSLTO-UHFFFAOYSA-N 291.391 3.701 30 20 CHED CC1(C)CCC(=NNc2cc(C#N)cc(Cl)n2)CC1 768382220 RINKEZXJYOPOQD-UHFFFAOYSA-N 276.771 3.975 30 20 CHED Cn1cnc2cc(C=NNc3ccc(Cl)cc3)ccc21 761248931 IVCNNYPIVAFCIU-UHFFFAOYSA-N 284.750 3.673 30 20 CHED CCCOc1ccc(C=NNc2cccc(C#N)c2)cc1 767337187 ZWPNSKHOALEKAN-UHFFFAOYSA-N 279.343 3.793 30 20 CHED C#CCCNc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1C 760297068 PEYDURMJCGSGRY-GASCZTMLSA-N 298.430 3.548 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](C)C(C)(C)C2)cc1 761224726 AEEAZEZPTSBPTP-CABCVRRESA-N 286.419 3.845 30 20 CHED C[C@@H]1CCN(C(=O)Nc2sccc2C#N)CC12CCC2 931838667 VPDWNWYLLHOTRI-LLVKDONJSA-N 289.404 3.664 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC(Cc2cccc(C)c2)C1 934421339 NZPQIOUWDPQHKG-HNNXBMFYSA-N 271.404 3.598 30 20 CHED C=CC[C@@H]1N(Cc2c(C)nn(C)c2Cl)CCCC1(C)C 769953779 PRLFLXVYDKPUBY-AWEZNQCLSA-N 295.858 3.949 30 20 CHED C#CCN(Cc1ccc(Oc2cccnc2)c(C)c1)C1CC1 764680807 AXACFIUHHHOEJE-UHFFFAOYSA-N 292.382 3.780 30 20 CHED CC(C)O[C@@H]1CC(=NN=c2cc[nH]c3ccccc23)C1(C)C 764910753 UTENUWOTSQHIIV-QGZVFWFLSA-N 297.402 3.648 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1ccnn1C 766025686 MTRWDPDZCFYAAV-UHFFFAOYSA-N 283.162 3.563 30 20 CHED O=[N+]([O-])c1cccnc1NN=CCC[C@@H]1C[C@H]2CC[C@H]1C2 768776500 PASFEJWIEWBMCC-UPJWGTAASA-N 288.351 3.604 30 20 CHED N#Cc1c(F)ccc(C=NNc2ccccc2)c1Cl 761723711 GDBLEFIUCAPLBO-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C=CCOc1cccnc1-c1nc([C@@H](C)CCC)no1 761850543 SMFCAOTUCXVZQH-NSHDSACASA-N 273.336 3.600 30 20 CHED C#CCCc1noc([C@@H](C)Oc2cccc(C(C)C)c2)n1 762008831 HXNJZTACKIXMKV-CYBMUJFWSA-N 284.359 3.899 30 20 CHED C#CCN(C(=O)Nc1c(C)cc(Cl)cc1C)C1CC1 1117838208 DXIKAGPALCWPOK-UHFFFAOYSA-N 276.767 3.586 30 20 CHED CCc1ccc(CC(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 763018315 HRYWGOBROIZUGC-AWEZNQCLSA-N 293.366 3.968 30 20 CHED Cc1nc(NCc2cccc(Cl)c2F)ccc1C#N 1117674693 PBLXXMHXRZKPGM-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C#Cc1ccc(C(=O)Nc2ccccc2NC(C)(C)C)nc1 760524136 KVTFRFDDIDTGEE-UHFFFAOYSA-N 293.370 3.526 30 20 CHED C#CCCCCCCN[C@@H]1CC[C@@H]2SCCS[C@@H]21 877129764 PVRAUVJVVXLGPV-QLFBSQMISA-N 283.506 3.539 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc([C@@H]2C[C@H]2C)o1 773090804 KAMOIWDCANZZJP-DGCLKSJQSA-N 284.363 3.762 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)C2(C#N)CCCCC2)[C@@H]1C 779269281 GZBDVSCDCLSUJK-MCIONIFRSA-N 263.381 3.828 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(OCCC(C)C)CC1 878271319 FDKMLLSTORNFSP-UHFFFAOYSA-N 281.440 3.642 30 20 CHED CCC(CC1CCCCC1)=NNc1cnnc(O)c1Cl 872339430 KPIBMNOGHUHOSK-UHFFFAOYSA-N 296.802 3.984 30 20 CHED C=CCOCCCC(=O)Oc1cccc(C)c1Cl 774656448 CEBMYBWFVJGSLQ-UHFFFAOYSA-N 268.740 3.537 30 20 CHED N#Cc1cccc(COC(=O)/C=C/c2ccsc2)c1F 774894330 LOPXRXYAOVMONO-SNAWJCMRSA-N 287.315 3.515 30 20 CHED FC(F)(F)CCON=C1Cc2ccc(Cl)cc2C1 777458770 CTHHKIBMXJEDNK-UHFFFAOYSA-N 277.673 3.764 30 20 CHED CC(C)[C@H]1CC(=NN[C@H](C)c2ccccc2)CCO1 776765478 AGAXGAGFFNLAFR-CZUORRHYSA-N 260.381 3.528 30 20 CHED CC1(C)Cc2cc(NCc3ccc(C#N)cc3)ccc2O1 770603435 YCPTWGSNNGXPMA-UHFFFAOYSA-N 278.355 3.884 30 20 CHED N#C[C@H](OC(=O)/C=C\c1ccsc1)C1CCCCC1 776363579 IZFHWVPZJCWYCR-AFNCTOJWSA-N 275.373 3.777 30 20 CHED COc1cccc(O)c1C=Nc1cc(C)c(O)c(C)c1C 773904364 AGNVGAUJHVWGTL-UHFFFAOYSA-N 285.343 3.782 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 775265214 ZYDRWPMFUVZCJD-ZIAGYGMSSA-N 288.391 3.649 30 20 CHED N#Cc1ccccc1CSCc1cccc(C(=O)O)c1 58238777 CAOAXPZKJLNQJB-UHFFFAOYSA-N 283.352 3.690 30 20 CHED CC(=NNC1CCCCC1)c1c(Cl)nc2ccccn12 786043680 RSAIPLOQSGHMHX-UHFFFAOYSA-N 290.798 3.634 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C1CCCC1)C(F)(F)F 883980491 NQGRJWHCMZFJOP-GFCCVEGCSA-N 277.330 3.826 30 20 CHED CCCCCCCCNC(=O)C1CCC(OC)CC1 780963521 FLXURBHHVYBMRY-UHFFFAOYSA-N 269.429 3.668 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)[C@@]1(C)CCCO1 782272392 PUGNVBDOZUORPG-QZTJIDSGSA-N 288.435 3.788 30 20 CHED CCc1cc(NN=C2CCC2(C)C)nc(-c2ccccn2)n1 789004032 MUWLMJYKXLWQAW-UHFFFAOYSA-N 295.390 3.689 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2sccc2Cl)c1 782353411 BHKIUCFOWDGTFD-IHWYPQMZSA-N 296.731 3.677 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCCCCCC1 1121655818 KJAZZBITUITVNW-CYBMUJFWSA-N 294.468 3.659 30 20 CHED Cc1cccc2c1OCC[C@@H]2OC(=O)C1(C#N)CCCCC1 789499656 NLKUTZQFBZRILW-HNNXBMFYSA-N 299.370 3.836 30 20 CHED CC(C)(C#N)CNC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 781930326 PIEPOCRCXRIUJL-KGLIPLIRSA-N 293.455 3.688 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(C#N)s1 890611729 DYGWPVPPYZTZLJ-CQSZACIVSA-N 282.368 3.727 30 20 CHED C#CCC1(C(=O)Nc2ccc(OC)c(F)c2)CCCCC1 788167762 UKTLISGSSPMLTE-UHFFFAOYSA-N 289.350 3.747 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cccc3c2OCC3)co1 899372451 UYZPFRPUXKICMO-SREVYHEPSA-N 283.327 3.629 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 782723216 YQIUBUCCAWAQPW-HRCADAONSA-N 261.409 3.607 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NN[C@H](CO)c1ccccc1 788459254 DLBFRAPBNOWMOK-KBXCAEBGSA-N 294.398 3.530 30 20 CHED N#CCCCN1CCC[C@@H]1c1nc2ccccc2s1 268723103 CSKJFSFQSJPUDE-CYBMUJFWSA-N 271.389 3.737 30 20 CHED C=CCC(C)(C)C(=O)OCc1ncc(C(C)C)s1 797057577 MAHCNGXBKMXHTO-UHFFFAOYSA-N 267.394 3.912 30 20 CHED C[C@@H](CCC(=O)N(CC#N)c1ccccn1)c1ccccc1 892472014 XQHRDWDGYLBNIW-HNNXBMFYSA-N 293.370 3.522 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 791248927 MWNSICWNLUVIJD-UHTWSYAYSA-N 290.234 3.631 30 20 CHED CC(C)c1ccc2cc(C(=O)NCC3(CC#N)CC3)[nH]c2c1 797769294 ZHACRXTUPDDNHD-UHFFFAOYSA-N 295.386 3.715 30 20 CHED Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cc1C#N 799316640 IFEVVIQLZQQDIF-MLGOLLRUSA-N 294.354 3.513 30 20 CHED C=CCC(C)(C)C(=O)OCCOc1ccccc1C 796461975 DSQSVITXHFLBHG-UHFFFAOYSA-N 262.349 3.519 30 20 CHED C=CCC[C@H](CC)Nc1ccc(F)c(N2CCOC2=O)c1 793317198 PDXSGQLMUOCDQO-LBPRGKRZSA-N 292.354 3.939 30 20 CHED COCc1ccc(/C=C2\CCc3ccc(O)cc3C2=O)cc1 794959790 DFWQIJCJIRIPNQ-MHWRWJLKSA-N 294.350 3.751 30 20 CHED Fc1ccc(C(C[C@@H]2CCOC2)=NOC/C=C\Cl)cc1 793054947 IMWMIYHJQXKEQM-IIXYIBSBSA-N 297.757 3.726 30 20 CHED C=CC[C@@H](CC)N[C@H](CC)c1ccc(F)cc1O 796976251 AKXYAGOGCGAADU-TZMCWYRMSA-N 251.345 3.927 30 20 CHED C#CCOc1ccc(CNc2cc(F)c(F)c(F)c2)cc1 795802824 HZSYMAYGUNFLGH-UHFFFAOYSA-N 291.272 3.728 30 20 CHED Cn1ccnc1NN=Cc1sc2ccccc2c1Cl 790305215 FJZDOOPGAWWBDY-UHFFFAOYSA-N 290.779 3.734 30 20 CHED CN(C)c1ccccc1CNN=C/C=C/c1ccc(F)cc1 794952801 WIKBMWOHIOZGFY-OQAGCEGHSA-N 297.377 3.681 30 20 CHED Fc1ccc(C=NNc2cncnc2)cc1-c1cccs1 794977084 UZEQUKBTVHTRDY-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Cc1cccnc1NN=C/C=C/c1ccc(F)cc1 790193091 SFTCEMGULPRODS-CIXSYLBFSA-N 255.296 3.640 30 20 CHED Cc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1C#N 799299230 AOBJYOHCBZGBLZ-GFCCVEGCSA-N 296.395 3.688 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(C#N)c1 799329760 MDJHIARNLHBZSR-GOSISDBHSA-N 292.382 3.618 30 20 CHED CCCCC[C@@H](NC(=O)NCC1(C#N)CC1)C(C)(C)C 797460498 RSYSQSVWLSTMCZ-CYBMUJFWSA-N 279.428 3.584 30 20 CHED C=CCCC(C)(C)NCc1cc2ccccc2nc1O 657805382 NQVDJJQDDPWQQD-UHFFFAOYSA-N 270.376 3.775 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2sccc2C#N)C[C@H]1C 1219354787 RVCWSAGSWONXKL-FOGDFJRCSA-N 277.393 3.566 30 20 CHED C#CCN(C(=O)c1cc2c(s1)CCCCCC2)C1CC1 763797568 XHQIBNYHMDTIHR-UHFFFAOYSA-N 287.428 3.645 30 20 CHED CC1(C)CCCC[C@@H]1NCc1cc(C#N)ccc1F 94325512 CSGSHKVMTSRMDJ-HNNXBMFYSA-N 260.356 3.756 30 20 CHED N#CC[C@H](C(=O)Nc1c[nH]c2ccccc12)c1ccccc1 1157072289 LMOBZKDSEOSGSR-AWEZNQCLSA-N 289.338 3.804 30 20 CHED CC(C)CN(C[C@@H]1CC[C@H](C)O1)c1ccc(C#N)cc1 1307551812 MLUIMHQLMQDHNE-YOEHRIQHSA-N 272.392 3.588 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCC[C@@H](C(C)C)C2)n1 1162460999 SARZYXAZBLDCJQ-HIFRSBDPSA-N 257.381 3.888 30 20 CHED N#Cc1nc(N2CC[C@H]3CCCC[C@H]3C2)ccc1Cl 1318430834 PTJNFARULRNLJF-NEPJUHHUSA-N 275.783 3.623 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(SC(F)(F)F)cc1 1319572100 KTXRLBZDLQPORY-QMMMGPOBSA-N 290.310 3.995 30 20 CHED Cc1nnc(NCC2(C)CCCCCC2)c(C#N)c1C 1655322260 VWTTWHGHDTVCSX-UHFFFAOYSA-N 272.396 3.738 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](N=c2cc[nH]c(C#N)c2)CC1 1655379861 NYZIVGVBFHMDEW-KBPBESRZSA-N 271.408 3.782 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NC/C=C\C1CC1 1326240123 NOPHUEYLSKWCNN-UPHRSURJSA-N 285.297 3.763 30 20 CHED C#CCN(CC1CC1)C(=O)c1csc2cc(C)ccc12 1321079248 KZRLYUQQRMSIRZ-UHFFFAOYSA-N 283.396 3.695 30 20 CHED C=C(C)CN1CCC(Nc2nc3cccc(C)c3o2)CC1 1324486156 JDHSAYYKZIDLBW-UHFFFAOYSA-N 285.391 3.589 30 20 CHED Cc1nc(C#N)cc(N(C)Cc2ccc(C(C)(C)C)cc2)n1 1184555783 LMUBYCQFQRNBLU-UHFFFAOYSA-N 294.402 3.591 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(C)ccc1C)CO2 1337209188 QHGIBAZGSIVRJU-DHDCSXOGSA-N 294.350 3.971 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)c1cccc(C)c1)c1ccncc1 1252038058 DCCUSMXNRLBXOR-YJBOKZPZSA-N 294.398 3.927 30 20 CHED Cc1c(Cl)cnc(N(C)C2CCC(C)CC2)c1C#N 1184768429 ZGPGPQQGVHRTAR-UHFFFAOYSA-N 277.799 3.930 30 20 CHED COc1cc(O)ccc1/C=C1\Cc2cc(C)ccc2C1=O 1251316720 WDSDOYYIUXHNPD-RIYZIHGNSA-N 280.323 3.532 30 20 CHED CCC(=NNc1ccc(C)c(Cl)c1)c1cn[nH]c1 1340614471 AACAMJJJAVJARI-UHFFFAOYSA-N 262.744 3.598 30 20 CHED C=C(C)CCC(=O)NC[C@@H](OC)c1ccccc1Cl 1262615035 YHNVRXQRWOFMCB-CQSZACIVSA-N 281.783 3.500 30 20 CHED C=CCC[C@H](c1ccccc1)c1nnc(COCC)o1 1346676848 VKOGWQIPEVEOPY-CQSZACIVSA-N 272.348 3.704 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2C)C1 1265313532 JMZWDXXREQQSKL-DZGCQCFKSA-N 270.376 3.565 30 20 CHED CCN(C(=O)C[C@H](CC#N)c1ccccc1)C(C)(C)C 1348432733 OIYMGBRCLJAJFR-HNNXBMFYSA-N 272.392 3.721 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1csc(C2CC2)n1 1344670379 WSLCXNOFWDZZGC-UHFFFAOYSA-N 298.367 3.558 30 20 CHED CC(C)(CC(=O)O[C@@H](CC#N)c1ccco1)C1CC1 1345547579 NEEHGFKPDNGJMJ-ZDUSSCGKSA-N 261.321 3.604 30 20 CHED Cc1ccc(F)cc1NC(=O)[C@H](CC#N)c1ccccc1 1348563658 MLHJWEMPWNVLTJ-OAHLLOKOSA-N 282.318 3.770 30 20 CHED C[C@@H](CC(=O)[C@@H](C#N)c1cccc(F)n1)CC(C)(C)C 1344593767 BQUOMHTXGURASI-RYUDHWBXSA-N 276.355 3.859 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(OCC#N)cc1 1351466334 FVOMQCWKGSLCIV-CQSZACIVSA-N 294.354 3.640 30 20 CHED CSc1ccccc1C(=O)N(C)c1cccc(C#N)c1 109360185 WJNSDVOEBBUTLA-UHFFFAOYSA-N 282.368 3.557 30 20 CHED C[C@H](CCNC(=O)c1ccc(F)c(C#N)c1)CC(C)(C)C 1516246068 AVAAKFDSXPZQSX-GFCCVEGCSA-N 290.382 3.890 30 20 CHED CSc1ccccc1N(C)C(=O)c1sccc1C#N 1523954927 RMIQTVHFVSHLBR-UHFFFAOYSA-N 288.397 3.618 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)c2cccc(C)c2C)cc1C#N 1530854380 UUDVVUNCYPANKN-HNNXBMFYSA-N 292.382 3.975 30 20 CHED CCC(CC)[C@H](CCNc1cc(C)c(C#N)cn1)OC 1612161589 VOIZKOFYHYCZIE-HNNXBMFYSA-N 275.396 3.515 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cccc(C#N)n1 1474559761 CLOCBULOMFXRHU-KGLIPLIRSA-N 271.408 3.600 30 20 CHED N#Cc1c(F)cccc1N1CCCc2ccccc2CC1 1472785677 YDCNOYNUMXTASM-UHFFFAOYSA-N 280.346 3.693 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1C#N 1624564175 HKFFVDSGJMOQEJ-OPQQBVKSSA-N 291.420 3.874 30 20 CHED COc1cc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)ccc1C#N 1620973173 WPTYUCQITQLCAF-IJEWVQPXSA-N 286.419 3.871 30 20 CHED C[C@H](Nc1cncc(C#N)n1)C1(c2ccccc2)CCCC1 1639796063 WAAGRBJXYOWNLF-AWEZNQCLSA-N 292.386 3.661 30 20 CHED CC[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CCC(C)C 1495049382 MHPGWICDSLNLCW-UONOGXRCSA-N 291.443 3.576 30 20 CHED N#C[C@@H](CCc1ccccc1)Sc1ncc2ccccn12 1643430888 XGQCEGFCRSCGKD-MRXNPFEDSA-N 293.395 3.951 30 20 CHED C[C@H]1OCC[C@@H]1CSc1ccc(Cl)cc1C#N 1651842248 FOROMSYULUSJFO-NXEZZACHSA-N 267.781 3.729 30 20 CHED CC[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@H]1C 1658335837 FJJZKKMRFOVOCD-AAEUAGOBSA-N 294.345 3.780 30 20 CHED CC[C@@H](C)[C@@H](C)N(Cc1cc(C#N)ccc1OC)C1CC1 1657284274 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CHED CC[C@@H](NC[C@H](CC(C)C)OC)c1ccc(C#N)cc1 417329110 CXWHVILHZSCPNF-DLBZAZTESA-N 274.408 3.660 30 20 CHED OC(=Nc1ccc2nc(C3CC3)oc2c1)N1C[C@@H]2CCC[C@H]21 329920954 HFRDKEJIFBZQCI-SMDDNHRTSA-N 297.358 3.735 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1C 43041616 NBBMYQDBDICTGI-CKEIUWERSA-N 299.418 3.524 30 20 CHED N#Cc1ccc(OCc2cccc(F)c2)cc1Cl 220983018 JIDZLGAAIFWSFQ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1cscc1C(=O)Nc1ccc(C#N)c(Cl)c1 175273710 DYVKLGRMFWNIHM-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 192851333 WOPLJSDCWHCQCB-SECBINFHSA-N 281.739 3.579 30 20 CHED C[C@H](C(O)=Nc1cccc(C#N)c1)N1CCC[C@H](C2CC2)C1 329677641 WRHYOBDMXOLXNN-CJNGLKHVSA-N 297.402 3.657 30 20 CHED CC#CCCCc1nc(-c2ccc(OC(C)(C)C)cn2)no1 426592652 ZVHVYYNURUTMFB-UHFFFAOYSA-N 299.374 3.655 30 20 CHED N#Cc1cccc(-c2csc([C@@H]3CCCOC3)n2)c1 87815595 KAOGQZGUXGSDBE-CYBMUJFWSA-N 270.357 3.576 30 20 CHED CSc1ccccc1C(=O)/C=C/c1c(Cl)cnn1C 194594801 APSBAMXSHCZBMT-BQYQJAHWSA-N 292.791 3.692 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)cc1F 44766512 JWGYRAXWNLIUHD-UHFFFAOYSA-N 268.719 3.748 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C(/O)[C@@H]1C[C@H](C)CC(O)=N1 328746272 LFQVFTOXXBVPEF-RNJOBUHISA-N 266.385 3.667 30 20 CHED C[C@@H](C(=O)N(CC#N)C1CC1)c1ccc(Cl)c(Cl)c1 81932935 VLMCODUCOPIZMZ-SECBINFHSA-N 297.185 3.611 30 20 CHED Cc1cccc(CCN[C@H](C)c2ccc(OCC#N)cc2)c1 194611021 RSDBBZNASUFMDQ-MRXNPFEDSA-N 294.398 3.791 30 20 CHED C[C@H](N[C@H](CCCN)c1ccccc1)c1ccc(C#N)cc1 423503076 MLAOJKNFEQHHMG-HNAYVOBHSA-N 293.414 3.689 30 20 CHED C[C@H]1c2ccccc2CCN1c1ncc2c(c1C#N)CCC2 425240578 YQZJNDSOTZKWTB-ZDUSSCGKSA-N 289.382 3.566 30 20 CHED C=CCCCCNc1ccccc1O[C@H]1CCOC1 516849003 NLJORWXFPFFJOK-AWEZNQCLSA-N 261.365 3.623 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)c3cccs3)CC2)cc1 334879461 MUDMNRXREZOVRC-UHFFFAOYSA-N 294.379 3.549 30 20 CHED CC[C@@H]1C[C@@H](C)CN1c1nc(C(C)(C)C)ccc1C#N 613425871 JJBDVGKOKOZXGO-TZMCWYRMSA-N 271.408 3.876 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)C1(C#N)CCCCC1 510544168 HVWDDMMUKXIRRY-GJZGRUSLSA-N 276.424 3.793 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCOc3ccccc32)CC1 336209817 CXXKWCGLWGUKGR-SYJJWHGVSA-N 284.403 3.615 30 20 CHED N#CCCC1CCN(C(=O)Nc2c(F)cccc2F)CC1 335471929 ULMLWDYRLLWRAX-UHFFFAOYSA-N 293.317 3.512 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(C2CCOCC2)cs1 424846315 JIAGEHHOZPMYSR-UHFFFAOYSA-N 294.420 3.578 30 20 CHED CCc1cccc(CC)c1NC(=O)N[C@H]1CCC[C@H]1C#N 334028878 NQSAPVYLXDPPIG-GJZGRUSLSA-N 285.391 3.625 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)o1 96308926 QDTVLIRZBQQDCI-HJWRWDBZSA-N 290.322 3.941 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3occc32)cc1 237506260 CYPKUFOPLLWXMX-GUYCJALGSA-N 296.370 3.738 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2-c2cccs2)o1 93901854 ZLIHKTDMZJOUBT-VOTSOKGWSA-N 298.367 3.946 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccccc3F)C2)cc1F 339381835 SYRIXXCSIIAYRG-HNNXBMFYSA-N 298.336 3.826 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)C1CCC(C(F)(F)F)CC1 346473771 LQNCUYDYHMQASO-XIVSLSHWSA-N 290.329 3.506 30 20 CHED Cc1csc(NC(=O)Cn2ccc3ccccc32)c1C#N 344886355 DJZXYMZVVVKWOG-UHFFFAOYSA-N 295.367 3.522 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CC2CCCC2)cc1 520886859 OWGJUJVPCDGZDC-INIZCTEOSA-N 270.376 3.510 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H](C)CC(C)C 349402060 RZZYMRZWHICFKL-OAHLLOKOSA-N 266.429 3.847 30 20 CHED C[C@@H](CN(C)Cc1ccc(C#N)cn1)C1CCCCC1 528775410 WXVXMHAZUFGCKL-AWEZNQCLSA-N 271.408 3.601 30 20 CHED C=CCOCCCN1CCC[C@@H]1c1ccc(CC)o1 348065439 ZJIAXGJLCCQOBK-OAHLLOKOSA-N 263.381 3.572 30 20 CHED COCc1cc(C#N)ccc1NC[C@H](C)CC(F)(F)F 603394846 NBNYNWCAXHYQCI-SNVBAGLBSA-N 286.297 3.705 30 20 CHED COc1ccc(F)cc1[C@H](C)N[C@@H](C#N)Cc1ccccc1 603955033 LZPHVBQXWLKPMX-XJKSGUPXSA-N 298.361 3.620 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)cc(C)c2)cc1O 255388858 QXYNTXSPPSEWMG-XQRVVYSFSA-N 282.339 3.914 30 20 CHED CC[C@@H](CO)N(CCCC(C)(C)C#N)Cc1ccccc1 342634129 OPNLXJRWSFNWME-KRWDZBQOSA-N 288.435 3.589 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c1 254953979 ROUZURDQWYWOLV-HYXAFXHYSA-N 289.312 3.566 30 20 CHED COc1ccc(OC(F)F)c(NC[C@@H](C)CCC#N)c1 602491737 MAIMCCUCHQSZBG-JTQLQIEISA-N 284.306 3.648 30 20 CHED CCc1c(C)sc(NC(=O)[C@H]2Cc3ccccc32)c1C#N 358610710 VUYVWFLTSQPFMY-AWEZNQCLSA-N 296.395 3.769 30 20 CHED Cc1noc([C@@H]2CCCCN2CCCCC(C)(C)C#N)n1 353553176 BJVHJIUQXJRNPO-AWEZNQCLSA-N 290.411 3.625 30 20 CHED C=CC[C@@H]1N(Cc2nccs2)CCCC1(C)C 444791191 MLRKNJZZSWNSGH-LBPRGKRZSA-N 250.411 3.710 30 20 CHED C=CC[C@@H]1N(C(=O)CCc2cncs2)CCCC1(C)C 351111751 SYYYGKHTFQXHRG-AWEZNQCLSA-N 292.448 3.669 30 20 CHED C=CCN(C)C(=O)Nc1cccnc1-c1csc(C)c1 446433508 BQKCHBWOKMKQBX-UHFFFAOYSA-N 287.388 3.768 30 20 CHED CCCCN(C(=O)[C@@H](C)C#N)[C@@H](C)c1ccccc1 531061222 OTFYRTMHYJZPPY-KBPBESRZSA-N 258.365 3.536 30 20 CHED C=CCC1(C(=O)NCc2cnc3ccccc3c2)CCCC1 449806336 QYIUJSAAJXDBKZ-UHFFFAOYSA-N 294.398 3.988 30 20 CHED C=CCOCCCSCc1nc(C2CCCC2)no1 359134760 ZHJWAWHGBPXFFU-UHFFFAOYSA-N 282.409 3.553 30 20 CHED CC(C)(C)CC(C)(C)NCC#Cc1ccc(F)cc1 446830172 PFLHZIMKIOCHOU-UHFFFAOYSA-N 261.384 3.982 30 20 CHED COc1cccc(-c2nnc(S[C@H](C)CCC#N)o2)c1 600608702 WQSNNKMKZWJPEI-SNVBAGLBSA-N 289.360 3.530 30 20 CHED C[C@@H](C1CCC1)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 356959103 XHRICAHWTYPSGK-JTQLQIEISA-N 291.782 3.864 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)c(C)c2)cc1F 447306120 OUOXTGRCNRWJHA-UHFFFAOYSA-N 283.302 3.787 30 20 CHED CCc1cc(C#N)ccc1OCc1cc(-c2ccco2)on1 442105675 HKTOBVQWRNEFQH-UHFFFAOYSA-N 294.310 3.948 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)CO2 538507180 LNMGCGDJYHYRLX-PXAZEXFGSA-N 296.345 3.790 30 20 CHED Cc1ccc([C@H](NC(=O)CCCC#N)c2ccccc2)cc1 359916266 ZMIWFEJJASMMJA-LJQANCHMSA-N 292.382 3.895 30 20 CHED C=CCN(Cc1nc(C2CC2)no1)CC1CCCCC1 264877489 XEPYWNQDECBHQB-UHFFFAOYSA-N 275.396 3.515 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1C(C)C 537188098 NTLSMXXXTVUAKF-KBPBESRZSA-N 252.402 3.561 30 20 CHED CC1CCC(NC(=O)c2cc(C#N)ccc2Cl)CC1 352728298 YDCLUNJUZUNNNY-UHFFFAOYSA-N 276.767 3.520 30 20 CHED CN(C)Cc1cccc(NC2CCC(C)(C#N)CC2)c1 449041724 OFIBINTYVCBARF-UHFFFAOYSA-N 271.408 3.633 30 20 CHED CC(C)SCc1ccc(Br)cc1C#N 260868150 XHVZOGCGQQQKHX-UHFFFAOYSA-N 270.195 3.962 30 20 CHED C[C@@H]1COCC[C@@H]1CN[C@H]1CCCCc2cc(C#N)ccc21 353979503 RDYMHGMMJADOHQ-BJZITVGISA-N 298.430 3.588 30 20 CHED C[C@@H](C#N)CN(C)[C@H](C)c1nc2ccccc2n1C(F)F 264194184 GMESJZQCWOXXTN-WDEREUQCSA-N 292.333 3.584 30 20 CHED C[C@H]1CC(Nc2nc(C(C)(C)C)ccc2C#N)C[C@H](C)O1 613430616 DLQVUPCQDMILBV-RYUDHWBXSA-N 287.407 3.619 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(OCC(C)C)cc1 537097188 DCJKDASAWCBWTB-HZPDHXFCSA-N 291.435 3.557 30 20 CHED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)cc1 357792481 GLAWZAUYHXGJEL-SFHVURJKSA-N 290.366 3.926 30 20 CHED C=C1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 264180684 OBMLACUNDOWADU-UHFFFAOYSA-N 288.778 3.624 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CCC(C)(C)CC2)C1 532281831 VSVVMYHLHHYRIW-CXAGYDPISA-N 276.424 3.791 30 20 CHED C[C@@H]1C[C@H](CCNc2cccc(Cl)c2C#N)CCO1 450444359 XGJZYYUMFWZEQK-VXGBXAGGSA-N 278.783 3.829 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCCc1cccs1 539870536 GAXFGIAHPWBONH-UHFFFAOYSA-N 299.399 3.683 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1CCSC1 369492848 WYDSPQLGZYCDHO-DJIMGWMZSA-N 286.444 3.511 30 20 CHED C=CC(C)(C)C(=O)NCCc1cc2ccccc2s1 452146747 GVXRHBSKRSOVGO-UHFFFAOYSA-N 273.401 3.772 30 20 CHED C=CCCCC(=O)N1CCCCc2ccc(OC)cc21 362655402 KVMCVUSOHZOYMA-UHFFFAOYSA-N 273.376 3.721 30 20 CHED Cc1c(Cl)ccc2ccc(N3CC[C@](F)(C#N)C3)nc12 615531803 SGSQCVVAURXQGZ-HNNXBMFYSA-N 289.741 3.639 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1cccc(CC#N)c1 455902309 GNEBMZZFDHSEFJ-HUUCEWRRSA-N 285.391 3.700 30 20 CHED Cc1ccsc1-c1nnc(SCC2(C#N)CC2)o1 611232587 HTNDXCSCLZTFTP-UHFFFAOYSA-N 277.374 3.502 30 20 CHED C=CCC1(NC(=O)c2cccc(-c3cnco3)c2)CCCC1 619109999 BHUAEOJMINGHAA-UHFFFAOYSA-N 296.370 3.960 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(-c2ccco2)s1 610805363 WVOSAZBYPYNMCK-NSHDSACASA-N 288.372 3.676 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC(C)(C)C#N 613540361 NFBWMNMYZKPEIK-LLVKDONJSA-N 284.325 3.776 30 20 CHED CC[C@H](N[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(C#N)cc1 278367441 BWWQEQNTXWLWNP-SQNIBIBYSA-N 286.419 3.803 30 20 CHED C=CCCC1(CNC(=O)[C@@]23CCC[C@H]2C3)CCCC1 617418020 PNFVIXCTDQOYGO-WMLDXEAASA-N 261.409 3.819 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)N(C)Cc1cccc(C#N)c1 455636581 ZALMKECWCLIDPC-ZDUSSCGKSA-N 287.407 3.524 30 20 CHED C=CCN(Cc1cc(Cl)c(O)c(OCC)c1)C1CC1 459492570 WYUVXXLJYVWWPX-UHFFFAOYSA-N 281.783 3.595 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 278380445 HPUFHKVCAPJPKO-SNVBAGLBSA-N 298.308 3.822 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CCCCS2)CCCC1 456481363 BDXDXUKZYQSVLM-ZDUSSCGKSA-N 267.438 3.525 30 20 CHED N#CCC[C@@H](C#N)COc1cc(Cl)cc2cccnc12 275080150 INXPOXOODOXWRW-NSHDSACASA-N 285.734 3.711 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 368824352 PGAPFHADUIDTCE-GDBMZVCRSA-N 287.407 3.530 30 20 CHED C=CCN(Cc1ncc(C)[nH]1)Cc1ccc(Cl)s1 628121197 VZUJTUZHOAZJFR-UHFFFAOYSA-N 281.812 3.621 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 469741613 JQKRYUXARBGKCL-BZUAXINKSA-N 281.440 3.689 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)CCc1cccs1)OCC 270057262 SZCWLLMMCMGUHU-OAHLLOKOSA-N 295.448 3.510 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3cccc(F)c3)C2)CCC1 277362976 YOYLAVAEULIWMB-HNNXBMFYSA-N 287.378 3.888 30 20 CHED CC[C@H](C)CN(CC)C(=O)[C@@H](C)c1cccc(C#N)c1 462191876 UZHWEGQUEFTGEX-KBPBESRZSA-N 272.392 3.556 30 20 CHED C[C@H](F)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 377125870 JEQHKVDDRSJYCY-BPUTZDHNSA-N 260.356 3.506 30 20 CHED CN(CC1(C#N)CC1)C1c2ccccc2-c2ccccc21 540548779 GIJLUAJZOPXBFN-UHFFFAOYSA-N 274.367 3.992 30 20 CHED N#Cc1cccc(Cl)c1NCCOc1ccccc1F 462919266 NTGZCZIVVPZKPU-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2ccc(C#N)cc2)C1(C)C 463497717 VYMMPBMKMFDRPJ-LSDHHAIUSA-N 258.365 3.562 30 20 CHED C[C@@H](C#N)CNC(=O)c1ccc(C(C)(C)C)c(Cl)c1 558541291 XCXWVVBSQRCLLN-JTQLQIEISA-N 278.783 3.527 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1CCOc2ccc(Cl)cc21 374193270 KLJSUHYYYDUZJY-STQMWFEESA-N 293.794 3.677 30 20 CHED N#Cc1cc(CN2CCC=C(c3ccco3)C2)ccc1F 375661341 UXUFUYVSDJQWHD-UHFFFAOYSA-N 282.318 3.580 30 20 CHED C=CCCCCCCNC(=O)c1c(F)ccc(O)c1F 287140643 RGNGNPFGLVAOPB-UHFFFAOYSA-N 283.318 3.537 30 20 CHED C=CCC[C@H](NC[C@]1(C)CCO[C@H]1C1CC1)C1CC1 468044960 NYSKJFRDKHBDKI-ULQDDVLXSA-N 263.425 3.526 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 559951239 RUDHKKSLSMAWPH-UHFFFAOYSA-N 295.245 3.621 30 20 CHED C=CCC[C@H](CC)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 462119265 GRACWITUGJPSHE-XQLPTFJDSA-N 251.414 3.524 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 285157862 QQXOPLZRVISBRO-BLLLJJGKSA-N 274.364 3.742 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCc1cc(Cl)cs1 464158756 PJZASFSRPYLOGJ-AWEZNQCLSA-N 298.839 3.779 30 20 CHED CC[C@](C)(C#N)C(=O)NCC(C)(C)c1ccc(C)cc1C 553639926 IWNDKHJQPLJJHA-GOSISDBHSA-N 286.419 3.637 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@@H](C)c1ccncc1 287364245 NRHSPKOBMXQJJY-HNNXBMFYSA-N 289.423 3.921 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(C(C)(C)O)cc1 807986089 RBMUHMFBSCNCLW-UHFFFAOYSA-N 286.350 3.808 30 20 CHED N#Cc1cc(Cl)ccc1COc1ccc2cncnc2c1 478821948 LXAIQNJEUPYHJQ-UHFFFAOYSA-N 295.729 3.734 30 20 CHED CCCOc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1 556397581 DWQOBBVXTJHXOD-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccc(SC)n2)c1 806593830 MAAMBJXPTKGILB-UHFFFAOYSA-N 299.424 3.594 30 20 CHED C#Cc1ccc(CN[C@H]2CCC[C@H](SCC)C2)cc1 809625805 RXHFMYQIDIPFKJ-IRXDYDNUSA-N 273.445 3.822 30 20 CHED CO[C@@H](CON=C1CCCOCC1)c1ccc(Cl)cc1 800868797 LEUJDYBEMQCALW-HNNXBMFYSA-N 297.782 3.601 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(Oc2ccccc2)CC1 292337872 SKOWPQPRFJZXTM-UHFFFAOYSA-N 287.403 3.659 30 20 CHED C=CCCC(=O)Nc1cc(C)c(OC)cc1Cl 290157561 PASZZZHCRWFNMO-UHFFFAOYSA-N 253.729 3.562 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1csc(C)c1 296292477 DEJIDQJUEKVXMI-NFAWXSAZSA-N 265.422 3.688 30 20 CHED C=CCC[C@H](NC(=O)CCCCN(C)C)c1ccccc1 568010136 HEUDUARNAFAEOA-KRWDZBQOSA-N 288.435 3.542 30 20 CHED C=C(C)CCNc1ccc(C(=O)NCC(C)C)cc1C 567544167 YXRSLJYLZQYMNF-UHFFFAOYSA-N 274.408 3.759 30 20 CHED Cc1nc(SCCCCC(C)(C)C#N)[nH]c1C 292762452 WTHKVGDIXMQKKC-UHFFFAOYSA-N 251.399 3.839 30 20 CHED CCCC(=CC(=O)NCC(C)(C)CCC#N)CCC 805280256 FHPQJPUCSVXERS-UHFFFAOYSA-N 264.413 3.959 30 20 CHED C=CCCCCNC(=O)N(CC=C)Cc1cccs1 472823200 CXPBTJHGYAOMLP-UHFFFAOYSA-N 278.421 3.802 30 20 CHED CC[C@@H]1CC[C@@H](C)N1Cc1ccc(O[C@H](C)C#N)cc1 809768317 HWGSDUHSOPBGBA-IIAWOOMASA-N 272.392 3.740 30 20 CHED C=CCN(CCc1ccccc1)[C@H](C)c1nc(C2CC2)no1 298028831 FDLIUVSQSKMTKG-CQSZACIVSA-N 297.402 3.739 30 20 CHED C[C@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cn2)C1 567103405 ZPJIPODZAXIZTO-IBGZPJMESA-N 291.398 3.507 30 20 CHED C=CCN(CCc1ccco1)[C@H](C)c1nc(C(C)C)no1 299172320 YGGWSIWRDWEJBZ-CYBMUJFWSA-N 289.379 3.578 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)Cc1cc(C#N)n(C)c1 563662406 DLIPBDKATIJCOV-UHFFFAOYSA-N 295.430 3.826 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1COc2ccc(Cl)cc21 488803150 PFGFCYQFGSOUQP-RISCZKNCSA-N 293.794 3.677 30 20 CHED C=CCC[C@H](C(=O)N(C)[C@H]1CC1(C)C)c1ccccc1 489360975 SNEZLOWMOUPDEJ-HOTGVXAUSA-N 271.404 3.993 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccccc2Cl)cc1 814359910 YHVXLNMRWLDGCL-UHFFFAOYSA-N 283.758 3.893 30 20 CHED Clc1cc(NN=C2CC3(CC3)C2)cc(Cl)n1 819828703 NETFPCALARKJCK-UHFFFAOYSA-N 256.136 3.730 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(N(C)C(C)C)c1 488852626 KBYNJEPZINKLNM-UHFFFAOYSA-N 297.402 3.771 30 20 CHED COc1ccc(C(C)=NOCC2CC2)c(Br)c1 814245354 YASQSNJMCFTSGN-UHFFFAOYSA-N 298.180 3.608 30 20 CHED C=CCc1ccc(OC[C@H](O)CCC(C)C)c(OC)c1 481707172 NDGKKJNAYZPATO-OAHLLOKOSA-N 278.392 3.600 30 20 CHED C#CCCCCCC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 814134269 FLXCHIJRZLGRAI-KRWDZBQOSA-N 284.403 3.575 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@H]2COCC)cc1 574300324 ACRBZACQOKRZFU-FUHWJXTLSA-N 289.419 3.546 30 20 CHED C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C 810218719 KWYIDMJBBSPPIT-MLGOLLRUSA-N 256.393 3.817 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1scc(C)c1C#N 575022939 KFVMKICRQOGTIM-JTQLQIEISA-N 264.394 3.939 30 20 CHED Cc1cc(C=NN[C@@H](C)COc2ccccc2)ccc1F 811665424 PFTREVJYEWCHLZ-AWEZNQCLSA-N 286.350 3.525 30 20 CHED Cc1cc(C)nc(NN=C[C@@H](C)C2CCCCC2)n1 814681451 MYDXKMYXLWMEBG-LLVKDONJSA-N 260.385 3.708 30 20 CHED FC(F)(F)c1cscc1C=NOC/C=C\Cl 811669552 GFESTZCVVOSVDS-ZKGQAPMHSA-N 269.675 3.870 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCc1ccccc1O 657865135 PVWPIYOMZZUYPY-HOCLYGCPSA-N 259.393 3.659 30 20 CHED C[C@@H]1CN(CCCSCC#N)c2cccc(Cl)c2O1 577765561 FHTAGFPVGRIQQJ-LLVKDONJSA-N 296.823 3.574 30 20 CHED C(=NN=C(c1ccccc1)c1ccccc1)[C@@H]1CCOC1 812377898 VGLGPMJBXADABO-HNNXBMFYSA-N 278.355 3.546 30 20 CHED CC#CCCNC(=O)N(C)Cc1cccc(Cl)c1Cl 483410903 ACEHTKQKPLOXQD-UHFFFAOYSA-N 299.201 3.548 30 20 CHED C=CCC[C@H](O)CN[C@H](C)C1(c2ccccc2)CCCC1 481847865 QRSSGJHNVYNALE-AEFFLSMTSA-N 287.447 3.804 30 20 CHED C=CCC[C@H](CC)NCc1cc(COC)cs1 658208077 FVHVEKSNSAYLIR-ZDUSSCGKSA-N 253.411 3.729 30 20 CHED COc1cc(F)cc(NN=C(C)Cc2ccc(O)cc2)c1 814870812 STLOXDQOLMLVGP-UHFFFAOYSA-N 288.322 3.570 30 20 CHED CC(C)OCCON=Cc1cc(F)cc(C(F)(F)F)c1 812238670 CFVNDTFRHVMKKY-UHFFFAOYSA-N 293.260 3.620 30 20 CHED Cc1ccc(NN=C2CC[C@@H](Cc3ccccc3)C2)nn1 814841030 YPDGPXBGLRJAFG-HNNXBMFYSA-N 280.375 3.596 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Sc1ccccc1 488838634 DNEQCYLRZMAXLZ-KBPBESRZSA-N 275.417 3.734 30 20 CHED CC(C)c1nccnc1NN=C1CS[C@@H](C(C)(C)C)C1 814917615 YZGZGHPSWIFYTM-GFCCVEGCSA-N 292.452 3.920 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCCSC1 484238233 ZECYRJIBJALBPY-OAHLLOKOSA-N 296.480 3.660 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(Cl)c(O)cc1F 573350816 REBOFALXERGIGA-UHFFFAOYSA-N 283.730 3.892 30 20 CHED CC#CCCN1CCCC[C@@H]1c1nc2ccccc2n1C 575965432 QVYAJFRLMNFFNU-QGZVFWFLSA-N 281.403 3.514 30 20 CHED COc1ccc(OC)c(C=NOCc2cc(C)ccc2C)c1 727484051 CPVBKPHFPNQUIO-UHFFFAOYSA-N 299.370 3.871 30 20 CHED C=CCCCCCn1cc(-c2ccccn2)ccc1=O 572649802 DGNWMKUVHMWDQC-UHFFFAOYSA-N 268.360 3.657 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)OC[C@H](C#N)Cc1cccs1 820447661 XDQAEXRGWTWZRH-VNHYZAJKSA-N 291.416 3.800 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)CCc1ccccc1 491927316 CJQHTTYRTLCSOQ-WBVHZDCISA-N 286.419 3.758 30 20 CHED N#CC1(CCCCOC(=O)c2csc(C=O)c2)CCC1 909061916 FDKUFKUGTHCTNC-UHFFFAOYSA-N 291.372 3.582 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2ccsc2)cc1 588419232 KOLNOPIZKHJLFT-UQCOIBPSSA-N 271.341 3.603 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1cc(C)[nH]n1 738457348 RYYSARQHBBOASP-CYBMUJFWSA-N 294.443 3.514 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCC[C@@]1(C)C(=O)O 901734272 XZXAHQRVRKUZHZ-OFQRWUPVSA-N 267.413 3.744 30 20 CHED CC1(C)CC(=NNc2nccnc2Cl)c2ccccc21 733078892 MUZDNIHSAKNPHC-UHFFFAOYSA-N 286.766 3.628 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CCCCCC#N 588672987 WEAWVALIWGVOHU-VXGBXAGGSA-N 290.329 3.650 30 20 CHED Brc1cncc(NN=C2CCCC23CCC3)c1 834966815 OITMJAAILARJHU-UHFFFAOYSA-N 294.196 3.966 30 20 CHED COc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)ccc1Cl 839050779 CJPNCUGVGAOIOO-PWSUYJOCSA-N 293.750 3.588 30 20 CHED C=CCC1(C(=O)O[C@H]2CCO[C@H](CC)C2)CCCC1 835280276 POZVPVDZJOUSJJ-KGLIPLIRSA-N 266.381 3.624 30 20 CHED Cc1nc(/C=C2\C[C@@H](C)c3ccccc3C2=O)[nH]c1C 901486308 ARSRTGWKSVILOM-QQMDNXKGSA-N 266.344 3.800 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)[C@@H]1CCCC[C@@H]1C 834998071 BRFXYXIMCSRHLT-JMJZKYOTSA-N 250.308 3.729 30 20 CHED CC(=NOC(C)C)c1[nH]c(-c2ccccc2)nc1C 835004097 GTQANPWUZATQNP-UHFFFAOYSA-N 257.337 3.534 30 20 CHED C[C@@H]1c2ccccc2CCN1c1ccc(C#N)c([N+](=O)[O-])c1 589581633 VDHCAXMUCRHXQM-GFCCVEGCSA-N 293.326 3.590 30 20 CHED CC(C)[C@H](C)N(CC(F)(F)F)C(=O)CCCCCC#N 588924703 PKXRKCJOPLZHGC-LBPRGKRZSA-N 292.345 3.896 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 835348209 LBVZCRFXUGYGKO-VBHSOAQHSA-N 293.370 3.632 30 20 CHED COc1ccc(C=NN[C@@H](C)C(F)(F)F)c2ccccc12 834995838 LWKACVDLHMFITH-JTQLQIEISA-N 296.292 3.723 30 20 CHED C=CCC1(C(=O)[C@H](C#N)c2nc(C)cs2)CCCC1 835038685 XXZUOTXOWORWNL-LBPRGKRZSA-N 274.389 3.764 30 20 CHED C[C@@]1(C#N)CCCN(C/C=C/c2ccc(F)c(F)c2)C1 589173313 XBMOSHLBYBPFLN-ICTCPBKTSA-N 276.330 3.604 30 20 CHED Cc1ccc(F)c(/C=C2\Cc3c(O)cccc3C2=O)c1 734981798 WNENGHPNKUKXHD-XYOKQWHBSA-N 268.287 3.662 30 20 CHED C=CC[C@H](NCc1cccc2cc[nH]c12)c1ccncc1 734508672 BLLCLOXZORHAAV-KRWDZBQOSA-N 277.371 3.970 30 20 CHED CC(C)CCCCCC(=O)NCC(C)(C)CC#N 837888235 FIHZSVFOXQPJTD-UHFFFAOYSA-N 252.402 3.649 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)Cc2cc(F)ccc21 734305098 ICVYELRIGMRJDW-IZZDOVSWSA-N 274.241 3.926 30 20 CHED CC(=NNC[C@@H]1CCSC1)[C@@H]1CCCC[C@H]1C 834980431 RGVIDGGAHQVBDK-KWCYVHTRSA-N 254.443 3.531 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1sccc1C 733746870 FVDMTEJOCNQHOD-UHFFFAOYSA-N 280.343 3.849 30 20 CHED CC#CC(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 837099579 HKDUATCEBMPLJB-HIFRSBDPSA-N 275.779 3.506 30 20 CHED CSc1ccc(NN=C2CC[C@H](CC(=O)O)[C@H]2C)cc1 834998429 HDBHQVKADKYYNS-GHMZBOCLSA-N 292.404 3.697 30 20 CHED Cc1ccc2c(CC(=O)O[C@H]3CCC[C@@H](C#N)C3)c[nH]c2c1 839049316 IIBOUWSDAXTQHJ-HIFRSBDPSA-N 296.370 3.644 30 20 CHED C=CCCCCSCc1nc2ccccc2c(=N)[nH]1 591378456 KVXDWGUOCGDVEJ-UHFFFAOYSA-N 273.405 3.632 30 20 CHED O=C(O)c1cc(/C=C/C(=O)c2cccc3ccccc23)c[nH]1 833298521 YGSXPYPJSOTRME-CMDGGOBGSA-N 291.306 3.762 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cccc(F)c1Br 839041034 SSWQQKCEUBLOBH-SECBINFHSA-N 299.139 3.547 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)c1c(C)n[nH]c1C)c1ccccc1 910069511 NRQZTTPHCYAMTC-IUODEOHRSA-N 297.402 3.564 30 20 CHED CC(Cc1ccccc1C)=NOCc1cccnc1 746588999 XDZJPNKDKNSVJL-UHFFFAOYSA-N 254.333 3.525 30 20 CHED CCC(C#N)(CC)C(=O)NCC[C@H]1CCCC[C@@H]1C 599501611 SFOCSNHQIFDNOH-UONOGXRCSA-N 264.413 3.649 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C=C2CCCC2)n1 747197325 FBTAJTRSDFQZNF-GFCCVEGCSA-N 274.389 3.943 30 20 CHED CC(C)CC(=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 915968669 DJMNWKCLWSXQQX-UHFFFAOYSA-N 298.346 3.852 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1c(C)cccc1C(C)C 844484373 YBDNOORKABORCW-GFCCVEGCSA-N 262.353 3.746 30 20 CHED CC(C)(CC#N)CNc1ccc(C(F)F)cc1[N+](=O)[O-] 596263138 CCZYDDLKJZXKKR-UHFFFAOYSA-N 283.278 3.884 30 20 CHED CSc1cc(C)c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)o1 597258612 QEUHYMLCZQMWDG-BMIGLBTASA-N 292.404 3.512 30 20 CHED N#CCN(C(=O)C1(F)CCCCC1)c1ccc(Cl)cc1 843611304 BHDWUIQSUGJCAA-UHFFFAOYSA-N 294.757 3.869 30 20 CHED COC1(CCOc2ccc(C(F)(F)F)c(C#N)c2)CCC1 591372362 SNSDHJOVSPMTAV-UHFFFAOYSA-N 299.292 3.915 30 20 CHED C=C(C)CCOC(=O)c1c(C)oc2ccc(OC)cc12 744303688 QFVWZKGNCNIIRQ-UHFFFAOYSA-N 274.316 3.873 30 20 CHED C=C[C@@H](C)ON=C(C)c1cc(Cl)c(OC)cc1OC 844624471 MCZMCSFNBSMYRY-SECBINFHSA-N 283.755 3.672 30 20 CHED CC[C@@H](C)CC(=O)N(CC#N)c1ccc(Cl)cc1 592652549 OADFKHPOFKLMFS-LLVKDONJSA-N 264.756 3.633 30 20 CHED C=CCN(CCc1ccccc1)C[C@H]1CC1(Cl)Cl 744739346 VVJNLORHRSFSLR-CQSZACIVSA-N 284.230 3.911 30 20 CHED C=CCC1(NC(=O)c2ccc(C#N)c(Cl)c2)CCCC1 598295404 FNEUZFAHCBFXQB-UHFFFAOYSA-N 288.778 3.830 30 20 CHED COc1ccc(-n2ccnc2SCC2(CC#N)CC2)cc1 594880930 REVGQKIVCKEHPZ-UHFFFAOYSA-N 299.399 3.667 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)Cc1cc(Cl)cc(Cl)c1 599271553 GMTNOYHIDYLFRB-ZDUSSCGKSA-N 299.201 3.590 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940386 CMTMEQAVCWGBBV-UMNHJUIQSA-N 276.405 3.879 30 20 CHED CCCCCCCCNC(=N)NCc1c(CC)noc1C 849030427 IJOARYWJNOQPOZ-UHFFFAOYSA-N 294.443 3.520 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C[C@@H](O)CC(C)(C)C#N 598587621 SUFFMTULGBUXQO-IRXDYDNUSA-N 288.435 3.760 30 20 CHED COCCCOc1cccc(C=NOCc2ccccc2)c1 746489562 DFOUFOKIRNGYPK-UHFFFAOYSA-N 299.370 3.653 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCc1ccc2ccccc2c1 594087445 FTGPWAIXQZQTPQ-KRWDZBQOSA-N 280.371 3.533 30 20 CHED N#CCC1(CNc2ccccc2OCC2CC2)CC1 594705213 KLRKJVJYJGPBCJ-UHFFFAOYSA-N 256.349 3.581 30 20 CHED C=CCNC(=O)Nc1ccc(-c2ccccc2)cc1C 915350381 ACOXGJGAWOVTDE-UHFFFAOYSA-N 266.344 3.970 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 597042214 RPRMEBPGEVOLIW-WKILWMFISA-N 276.424 3.744 30 20 CHED C#CCN(C(=O)NC[C@@H]1CCC[C@H](C)C1)C1CCCCC1 744856903 BBLTVMRXURRUNJ-JKSUJKDBSA-N 290.451 3.790 30 20 CHED C#C[C@H](OC(=O)CCCCCC#N)c1ccc(F)cc1 842407901 PSOLGIYKRKMBTE-HNNXBMFYSA-N 273.307 3.517 30 20 CHED C[C@H](CNC(=O)CC1(C#N)CCCCC1)c1ccccc1 596659501 KIMXVYVZYRZQPZ-OAHLLOKOSA-N 284.403 3.770 30 20 CHED C=CCCSCCN[C@H](C)c1cccc([N+](=O)[O-])c1C 595057245 BVRLRWULXYRECP-CYBMUJFWSA-N 294.420 3.863 30 20 CHED CCCCCCCC(=O)Nc1ccc2nccnc2c1 917693651 AQUNRAKMRDVJJX-UHFFFAOYSA-N 271.364 3.929 30 20 CHED N#CC1(CCOC(=O)c2c[nH]c3nccc-3c2)CCCCC1 840582744 ZBYUQHVNKOLPFS-UHFFFAOYSA-N 297.358 3.535 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCC[C@@H](C)CC 684782687 OYMGCRBKEDRFJA-ZOBUZTSGSA-N 281.440 3.690 30 20 CHED CC(C)CC(CC(C)C)C(=O)N(C1CC1)[C@@H](C)C#N 598135076 NZQWQGLHUCGVAM-ZDUSSCGKSA-N 264.413 3.598 30 20 CHED CO[C@H](CN1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1 595622888 FJIZICUHSOVFNK-CZUORRHYSA-N 292.810 3.653 30 20 CHED CO[C@H](CC(C)C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 842316656 VKLTYRWHIUBQLZ-WCQYABFASA-N 294.420 3.504 30 20 CHED C=C(C)COC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 747518059 VYYKJJJEDSTBFU-CHWSQXEVSA-N 250.725 3.563 30 20 CHED C#CC(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 754048289 SZQIZOWYOQGIBY-GFCCVEGCSA-N 283.758 3.817 30 20 CHED C=CCCNC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 926685596 NVEZDDXVMVECFQ-YQQQUEKLSA-N 284.447 3.738 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 851300512 UWQLZGJXGSKCFP-KGLIPLIRSA-N 280.408 3.773 30 20 CHED CN(C)c1ccc(CNc2ccc(CC#N)cc2)cc1F 759138618 BHRXBSUTZNPXDQ-UHFFFAOYSA-N 283.350 3.570 30 20 CHED Cc1cccc2c(CCN[C@H](C)CC(C)(C)C#N)c[nH]c12 925136167 HZNVMRUZCSLOKR-CQSZACIVSA-N 283.419 3.937 30 20 CHED COCCOc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1F 925776669 ZTGNJBIRSATKPF-LBPRGKRZSA-N 294.370 3.591 30 20 CHED C=C1CCN(C(=O)c2ccc([C@H](C)CC)cc2)CC1 755327280 RTBBKQAVDCTUER-CQSZACIVSA-N 257.377 3.992 30 20 CHED CCC(C=NNc1cncc(Br)c1)CC 758129945 MVROLVBFJNONSY-UHFFFAOYSA-N 270.174 3.678 30 20 CHED CCC/C(C)=C/C(=O)[C@H](C#N)c1nc2ccccc2o1 920324154 LSCIHJNUIGDTPJ-ZKQHCESOSA-N 268.316 3.750 30 20 CHED Cc1cc(CON=Cc2ccc(C(C)C)cc2)nc(C)n1 853644277 IIWJUMPRYYBIGD-UHFFFAOYSA-N 283.375 3.768 30 20 CHED C#CCC1(C(=O)N2CC(C)(c3ccccc3)C2)CCCCC1 857350768 KQRPKCXHBBAGSL-UHFFFAOYSA-N 295.426 3.760 30 20 CHED CCCCCCCCOCC(=O)N1CCC[C@@](C)(C#N)C1 753151298 CXKOBAMAVZKOJP-KRWDZBQOSA-N 294.439 3.516 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@@H](C)n1nc(C)cc1C 851298476 DASDETZOCKSOHV-CQSZACIVSA-N 278.396 3.597 30 20 CHED N#Cc1c(F)ccc(/C=C\C(=O)c2ccco2)c1Cl 761477818 ALXOADPFIIHHQK-XQRVVYSFSA-N 275.666 3.840 30 20 CHED CCC(=NN=C(C)c1cnccn1)c1cc(C)ccc1C 863098253 ZXKOCCUGTGJDSK-UHFFFAOYSA-N 280.375 3.717 30 20 CHED CCCCCCCCNC(=O)N[C@@H](C)CC(F)(F)F 766632874 YOPQIEMFCZAYIN-NSHDSACASA-N 282.350 3.987 30 20 CHED C/C(=C/C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 767981542 OGIXVFAZGQFPET-OWBHPGMISA-N 292.382 3.530 30 20 CHED C#CCCCC(=O)N(C)c1nc2cc(Cl)ccc2s1 766960569 CWOVHUWVXSREEO-UHFFFAOYSA-N 292.791 3.716 30 20 CHED COc1ccc(/C=C\C(=O)c2sccc2OC)cc1C 769744014 CKYQRYSUWAQWQR-XQRVVYSFSA-N 288.368 3.970 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1CCCCC#N 932279196 WDCJAQUQVUZGEV-DOTOQJQBSA-N 256.393 3.948 30 20 CHED CCCCCCCC[S@@](=O)Cc1noc(C2CCC2)n1 864482478 BYYNWYUBYBLAPI-HXUWFJFHSA-N 298.452 3.946 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc(Cl)nc1 769744442 LEENTPIQWYCOES-RQOWECAXSA-N 279.748 3.701 30 20 CHED CC1(C)C(=NNCC(F)(F)F)C[C@@H]1c1ccccc1 769822569 VAOZBWFFUMCFMV-LLVKDONJSA-N 270.298 3.708 30 20 CHED Cc1nc2cc(F)ccc2cc1C(=O)OCC1(C#N)CCC1 768096315 DCVRZECIDUDSRV-UHFFFAOYSA-N 298.317 3.533 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC[C@@H](C)[C@H](C)C2)o1 767380011 OWCQPTHBHGONHE-GHMZBOCLSA-N 274.368 3.894 30 20 CHED CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCC1(C#N)CCC1 768077684 FYCKRXJPNBLTHO-ZNMIVQPWSA-N 293.407 3.597 30 20 CHED C#CCCCN1CCC[C@H](COc2ccccc2Cl)C1 766933869 CFTGMOIDBQMUDP-HNNXBMFYSA-N 291.822 3.844 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc2c(c1)oc1ccccc12 1117456008 USMCIPSHXNLLHR-LBPRGKRZSA-N 277.323 3.680 30 20 CHED CC(C)[C@H]1CCCCC1=NNc1ccc(Cl)nn1 764657993 KPRWAIIGAZVQFJ-SNVBAGLBSA-N 266.776 3.744 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1nc(C)cc(C)n1 779754930 IYMDSEBVCDBSDB-LLVKDONJSA-N 262.401 3.954 30 20 CHED COc1ccc(C(C)=NNc2cc(Cl)ccn2)cc1F 777913923 TYVWFIJJYFOYAU-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C[C@@H](CCO)C1(C/N=C\c2cc(Cl)ccc2O)CCC1 775632409 YNHKCCLTKIIINZ-XACIZNRCSA-N 295.810 3.653 30 20 CHED CCCC(CCc1ccccc1)=NOCCOCC 774417035 MEOABOSPJOWLMJ-UHFFFAOYSA-N 263.381 3.828 30 20 CHED Cc1ccnc(NN=C2C[C@@H](C)c3c(C)ccc(O)c32)c1 1116249173 XIARKHNYYNHYQL-GFCCVEGCSA-N 281.359 3.727 30 20 CHED CCc1cnccc1C/N=C/c1cc2ccccc2nc1O 778518333 OVMWXWWFVHFPOQ-UDWIEESQSA-N 291.354 3.517 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C(C)=C(/C)CC 779883672 ZBAAYULTONDFEI-PFONDFGASA-N 282.387 3.819 30 20 CHED Cc1ccc2cc(C(=O)OCCC(C)(C)C#N)[nH]c2c1 776354790 KLRKSYDRQNFYFG-UHFFFAOYSA-N 270.332 3.573 30 20 CHED CC(C)(C#N)CCOC(=O)c1csc(C(C)(C)C)n1 776382724 YGQCSMKUJCPTPU-UHFFFAOYSA-N 280.393 3.537 30 20 CHED COc1ccccc1[C@@H](C)CC(=O)OCCC(C)(C)C#N 776383900 UHEMVZTUZUSUMC-ZDUSSCGKSA-N 289.375 3.672 30 20 CHED CCSc1ccccc1C(C)=NNCCOC(C)C 778551902 OLUDEYLRADGXCZ-UHFFFAOYSA-N 280.437 3.537 30 20 CHED C=C[C@@](C)(O)c1cn([C@H](C)c2ccc(C(C)(C)C)cc2)nn1 881281177 UBVVTDYVQVJTKQ-FZKQIMNGSA-N 299.418 3.578 30 20 CHED C=C[C@@H](CC)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 1123073775 DNYGBQIIKDJLBP-CMPLNLGQSA-N 274.389 3.799 30 20 CHED CC#CCCCC(=O)OCc1c(C)cc(C)cc1F 785918980 UOQKKHCKZZMLHW-UHFFFAOYSA-N 262.324 3.679 30 20 CHED C=CCn1c(C(F)F)nnc1N1CC[C@H](CC(C)(C)C)C1 1121699021 SBEAUESWVKSDMP-LLVKDONJSA-N 298.381 3.664 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)C1CCCCC1 789073504 MEIMNXNSRWZWGS-UHFFFAOYSA-N 283.375 3.896 30 20 CHED Cc1ccc(OCCCOC(=O)CC(C)(C)C#N)cc1C 785106017 CYIXXQZHESQFDX-UHFFFAOYSA-N 289.375 3.555 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnn(CC3CCC3)c2)o1 899362327 QEHCSUZVGUIZPN-SOFGYWHQSA-N 284.359 3.735 30 20 CHED CCSc1ccc(C(C)=NOC[C@@H]2CCOC2)cc1 788032692 WJTCRDBQTSDEDD-CYBMUJFWSA-N 279.405 3.576 30 20 CHED C=CC(C)(C)Cc1nc([C@H]2CCOc3ccccc32)no1 896084049 MYVDYZWTDKJVAQ-ZDUSSCGKSA-N 284.359 3.739 30 20 CHED COc1ccc(NN=C2CCC[C@H]2c2ccccc2)nc1 780275160 RVTMCKHSSKWKND-HNNXBMFYSA-N 281.359 3.826 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)[C@@]1(C#N)CC12CCCC2 890612839 CAZTWQYJOKTWDD-LPHOPBHVSA-N 294.398 3.954 30 20 CHED CCCCCCC[C@H](C)NC[C@H]1CCCN(C(C)=O)C1 793290370 FYAQPVGDQIDQSE-DOTOQJQBSA-N 282.472 3.584 30 20 CHED Cc1cccc(C=NNc2cccc(Cl)n2)c1C 793181248 NNZYCMJIQKLUET-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](c1ccccc1C)C1CC1 791065562 UWXIRVRJMKYWAP-DOTOQJQBSA-N 284.403 3.547 30 20 CHED COC(=O)c1cccc(CSC/C(C)=C\Cl)c1C#N 797811604 MLBATSYYFBCJIG-POHAHGRESA-N 295.791 3.721 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc(F)cc1F 798375279 GOEXKCLJGKOQMY-JTQLQIEISA-N 270.348 3.606 30 20 CHED CC[C@H](C)NN=Cc1c(Cl)ccc2cccnc12 790182517 KHMXJVZTNNABNS-JTQLQIEISA-N 261.756 3.610 30 20 CHED N#Cc1ccc(CCC(=O)Nc2ccc3occc3c2)cc1 1132270382 QWWGAVCWGNZGPS-UHFFFAOYSA-N 290.322 3.876 30 20 CHED CC(=NNCCC(F)(F)F)c1cccc(OC(F)F)c1 794552605 PGJNRTNKVTYLQD-UHFFFAOYSA-N 296.239 3.554 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1ccc(OC(F)F)cc1 797037302 PRGQYSXIMOCLNX-MEBBXXQBSA-N 297.301 3.832 30 20 CHED Clc1cccc(CNN=Cc2ccccn2)c1Cl 790180195 BMYWYQBMMUEORY-UHFFFAOYSA-N 280.158 3.512 30 20 CHED N#Cc1cc(Cl)ccc1N1CCc2ccccc2CC1 71202927 GJOQLLPXNSCOJV-UHFFFAOYSA-N 282.774 3.817 30 20 CHED N#CC[C@@H](CC(=O)O[C@H]1C=CCCC1)c1ccccc1 795982752 QVJQLRIBEFCQRK-HOTGVXAUSA-N 269.344 3.726 30 20 CHED C#C[C@@H](NC(=O)N(CC)[C@H](CC)c1ccccc1)C(C)C 798551527 BNPKIESCFCTZCK-IAGOWNOFSA-N 286.419 3.827 30 20 CHED CC[C@H](C)CON=Cc1ccc(-c2cnn(C)c2)s1 793160531 VEUCWVBMYNVDCU-NSHDSACASA-N 277.393 3.545 30 20 CHED CC(C)(C)CCC(=O)[C@H](C#N)c1cnc2ccccc2n1 792110262 XVOGNPRVSZDSPW-GFCCVEGCSA-N 281.359 3.632 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CCc2ccc(O)cc21 794960104 KWVHJUYKUOVKGC-JYRVWZFOSA-N 295.294 3.513 30 20 CHED CC(C)Oc1ccccc1C=NOCCC(C)(C)C#N 799959910 BOCLYLCOBVXCHG-UHFFFAOYSA-N 274.364 3.764 30 20 CHED CC[C@H](C)NN=Cc1ccc(Oc2cccnc2)c(C)c1 790180821 ATGGRPRALTVMGG-AWEZNQCLSA-N 283.375 3.904 30 20 CHED CCn1cc(/C=C2/CC(C)(C)c3ccccc3C2=O)cn1 794970521 YLODWGVSSCLVEM-ZROIWOOFSA-N 280.371 3.851 30 20 CHED Fc1cccnc1NN=C1CCC(C(F)(F)F)CC1 794990201 JVMKSCMNXDZMMZ-UHFFFAOYSA-N 275.249 3.741 30 20 CHED Cc1cc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)ccc1C#N 599515832 VLSJSWLGNFOWSW-CHWSQXEVSA-N 278.346 3.590 30 20 CHED COc1cc(C#N)ccc1OC[C@@H]1CCCC[C@@H]1C 1307243246 YNYKRZGYAVQQFM-JSGCOSHPSA-N 259.349 3.772 30 20 CHED CC(C)Cc1ccc(CN2CCC[C@@H](C#N)C2)cc1 1231788041 MBDLYSRPYUUGMZ-KRWDZBQOSA-N 256.393 3.621 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN(C[C@@H](C#N)CCC#N)C2 1318756703 HVAYUQOXMHRHTI-OAHLLOKOSA-N 295.430 3.786 30 20 CHED CCC1(CC)CCN(Cc2ccc(C#N)cc2OC)CC1 1169430897 LWBUENQQGWIALZ-UHFFFAOYSA-N 286.419 3.969 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccnc(C#N)c2)C1 1162626351 QZZLYCUSRWXVBF-SJKOYZFVSA-N 281.334 3.680 30 20 CHED N#Cc1cccc(NC(=O)c2cnn(C3CCCCC3)c2)c1 1318692380 ZIXKRDNLNUWTMC-UHFFFAOYSA-N 294.358 3.512 30 20 CHED CC(C)(C)c1ccc(NN=C2CCCc3ccccc32)nn1 1318681556 MWABVBGUOSVKJV-UHFFFAOYSA-N 294.402 3.927 30 20 CHED CCc1nc(COC(=O)CC2(C#N)CCCCC2)cs1 1327236673 MWLLAFUOTNGSRL-UHFFFAOYSA-N 292.404 3.613 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccc(-c2cccs2)s1 1321357618 IIJFWZVEKLPBPM-VIFPVBQESA-N 276.386 3.509 30 20 CHED C=C(C)COc1cc(CNC/C=C\C2CC2)ccc1OC 1326327696 WTJMMDDULOFWPL-PLNGDYQASA-N 287.403 3.706 30 20 CHED CC(C)c1nc(COC(=O)CC2(C#N)CCCCC2)co1 1329624652 RDDUIRFZJDYDGV-UHFFFAOYSA-N 290.363 3.705 30 20 CHED CCCC[C@H](C)[C@@H](C)NCc1cccc(OCC#N)c1 1323664933 QFPLEHBKXXRRSW-LSDHHAIUSA-N 274.408 3.893 30 20 CHED C=C[C@@H](COC)N[C@H]1CCc2cc(Cl)cc(Cl)c21 1324021859 NERZGXDVECFQFQ-AAEUAGOBSA-N 286.202 3.771 30 20 CHED C=CCC1(C(=O)N2CC3CCC2CC3)CCCCC1 1325272895 BYRYZRNIBZPBFZ-UHFFFAOYSA-N 261.409 3.914 30 20 CHED COc1cccc(C(C)=NNc2ccc(C(C)(C)C)nn2)c1 1251930491 DOZZFVBKYDIZOT-UHFFFAOYSA-N 298.390 3.619 30 20 CHED N#Cc1ccnc(CSc2ccc(Cl)cc2)c1 1651621382 UZMJGPRVZOQEBR-UHFFFAOYSA-N 260.749 3.899 30 20 CHED N#CC1(c2nc(-c3cc4ccccc4[nH]3)no2)CCCC1 1333555397 MJZRXVRSRXXBNN-UHFFFAOYSA-N 278.315 3.553 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 1338328152 JKZMVFMCYBNXSD-GMTAPVOTSA-N 296.823 3.656 30 20 CHED C=C(C)CCC(=O)N(C)c1cccc2ncccc12 1338028782 PMSJVLAKOVEHCP-UHFFFAOYSA-N 254.333 3.554 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(N2CCCC2)c1 1332999774 ULJAMKQEJKTRAU-CQSZACIVSA-N 272.392 3.828 30 20 CHED C=C1CCC(c2nc([C@@H](C)C(=O)OC(C)(C)C)no2)CC1 1332739921 YFXBICMGKBVUAR-LLVKDONJSA-N 292.379 3.729 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1346095269 BFOWTRGJFSNNHI-ZJIFWQFVSA-N 299.418 3.686 30 20 CHED C=C(C)CCC(=O)Nc1c(F)cc(C(C)=O)c(F)c1F 1349495062 OEFPFVIBAJFIBU-UHFFFAOYSA-N 285.265 3.601 30 20 CHED CC(C)[C@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1264269412 IQDKKCUJMMLQAY-KRWDZBQOSA-N 296.345 3.824 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCc1c[nH]c2c(C)cccc12 1349907520 RUBWIRBQURRTIJ-HNNXBMFYSA-N 297.402 3.560 30 20 CHED C=CCn1c(C(F)F)nnc1N(C)[C@@H](C)c1cccs1 1340687820 OSKLAVLUKDQYSY-VIFPVBQESA-N 298.362 3.661 30 20 CHED C[C@H](CCC(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1347123092 IQMPCMQLSKIDIO-UKRRQHHQSA-N 296.345 3.981 30 20 CHED C=CCCCCCCCNC(=O)NC(C)(C)CF 1261212366 ZHQJRFVZOKYMKW-UHFFFAOYSA-N 258.381 3.560 30 20 CHED N#Cc1sccc1C(=O)Nc1ccc(F)c(Cl)c1 1352868910 MLZHGHLIYUJYRY-UHFFFAOYSA-N 280.711 3.665 30 20 CHED N#CCc1ccc(COC(=O)c2ccsc2Cl)cc1 1435687642 XFQPPGOKQQBHOX-UHFFFAOYSA-N 291.759 3.825 30 20 CHED C[C@H](CC#N)N(C)C(=O)C(C)(C)c1ccc2ccccc2c1 1355144307 NJSJVHXKVQPCEP-CQSZACIVSA-N 294.398 3.878 30 20 CHED COc1ccc([C@@H](C)COc2ccc(C#N)cc2)cc1 1458820467 XCAWIULWMIWICT-ZDUSSCGKSA-N 267.328 3.749 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)C2CCCC2)cc1C#N 1526035265 DYRLFZKCZSDEPR-UHFFFAOYSA-N 284.403 3.813 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C(=O)O)cc1F 1602855676 XCZNBXQVJJHOJN-LRDDRELGSA-N 291.366 3.748 30 20 CHED C=C(C)C[C@@H](C)C(=O)Oc1ccc2cc(C(=O)O)oc2c1 1602750163 NEGNIEQDYBZSJN-SNVBAGLBSA-N 288.299 3.639 30 20 CHED Cc1nnc(N2CCC[C@H](C3CCCCC3)C2)c(C#N)c1C 1612647854 CLMJRHBYUAPBRI-INIZCTEOSA-N 298.434 3.762 30 20 CHED N#Cc1cc(N[C@@H](C2CCCCC2)C2CCC2)ncn1 1559220605 IPXFFLMGQUEHFE-INIZCTEOSA-N 270.380 3.509 30 20 CHED N#Cc1ncccc1SCc1ccc2ccccc2n1 1559412414 LSZGRUFGMJGXAR-UHFFFAOYSA-N 277.352 3.794 30 20 CHED Cc1cccc(-c2cccc(C(=O)N3CC(C)(C#N)C3)c2)c1 1568394706 CAWLTQMRQKFCNI-UHFFFAOYSA-N 290.366 3.648 30 20 CHED CCC(C)(C)c1ccc(Cn2cc(C)cc(C#N)c2=O)cc1 1644005907 ZJZPYGQSGDDNPD-UHFFFAOYSA-N 294.398 3.764 30 20 CHED Cc1ccc(-c2ccccc2NC(=O)[C@H](C)C#N)s1 1643563560 KPOASQHWEFNGIF-SNVBAGLBSA-N 270.357 3.822 30 20 CHED C=CC[C@H](N[C@H](C)c1sc2ccccc2c1C)C(=O)O 1573352763 JRIRVRSAXXKAIV-YPMHNXCESA-N 289.400 3.890 30 20 CHED CCCN(CC1(CC#N)CC1)[C@@H]1C[C@H](OCC)C1(C)C 1652536745 KBSPKHPCNMQQET-CABCVRRESA-N 278.440 3.596 30 20 CHED COc1ccc([C@@H](C)Sc2nnc(C)c(C)c2C#N)cc1 1650686215 ZYICSLVLUGICIM-GFCCVEGCSA-N 299.399 3.827 30 20 CHED C=C(Br)CN1CCCc2cc(F)cc(C)c21 1652760796 BQQXAWBLYMMUME-UHFFFAOYSA-N 284.172 3.795 30 20 CHED N#Cc1cc(Cl)ccc1SC[C@@H]1CCC[C@@H](O)C1 1652691450 DBZXNYKZKPGMHY-ZWNOBZJWSA-N 281.808 3.855 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(C(=O)O)cc1C 1588777704 GQLADBZCVCLJHF-UHFFFAOYSA-N 290.363 3.560 30 20 CHED CC(C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)nc2)cc1 1776370437 FGHAYSDRNCTVAR-ONNFQVAWSA-N 295.338 3.799 30 20 CHED O=C(O)c1ccc(NN=C2C[C@H]3CCC[C@@H](C2)C3)cc1F 1776077079 UMYSWNBJWQQDQQ-PHIMTYICSA-N 290.338 3.892 30 20 CHED C=CC1CCN(c2c(C(=O)O)cnc3c(C)cccc23)CC1 1776150172 HMUJRELIDVQOLA-UHFFFAOYSA-N 296.370 3.644 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)cc2)cc1 1776114539 RWPVRGWLJUDTJW-QRBCZBMESA-N 292.334 3.989 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccsc1 206254199 LOZWEWJBXBERCU-PLNGDYQASA-N 258.342 3.961 30 20 CHED N#Cc1ccc(CNc2ccc3oc(C4CC4)nc3c2)o1 156634645 NOJLJPSHUFSPSA-UHFFFAOYSA-N 279.299 3.782 30 20 CHED Cc1nsc(NCCc2cccc3cccnc23)c1C#N 159612428 IBAKIJBMSNQBTM-UHFFFAOYSA-N 294.383 3.526 30 20 CHED C#CC1CCN(Cc2cc3ccccc3nc2Cl)CC1 830311589 QGTWTJBRZQFBOP-UHFFFAOYSA-N 284.790 3.733 30 20 CHED C=CC[C@H]1CCCN(Cc2cccc(Br)n2)C1 852410448 MFZHEXZAJMIOQY-LBPRGKRZSA-N 295.224 3.632 30 20 CHED C[C@H](C#N)CN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 248598228 IONXGGMULMBIBI-HDEZJCGLSA-N 256.393 3.708 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)[C@@H]1C[C@H]2CC[C@H]1C2 251551034 LPDAQDKCFKMDMA-DUPGQFARSA-N 272.367 3.612 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(F)c(C#N)c2)c(C)o1 183830048 ROICTQXVWBQJPS-LLVKDONJSA-N 272.323 3.758 30 20 CHED C=CCC1(NCc2cnc(CC)s2)CCCC1 657702052 FVDZRUFAFAXZKX-UHFFFAOYSA-N 250.411 3.684 30 20 CHED C=CCC(C)(C)CNCc1c(C)nc2sc(C)cn12 312101684 UXDIWMVJOYBYLT-UHFFFAOYSA-N 277.437 3.705 30 20 CHED N#CCc1cccc(NC(=O)CCC2CCCC2)c1 313462811 JXXJDMFRKOYFGT-UHFFFAOYSA-N 256.349 3.662 30 20 CHED CC(C)N(CCC#N)C(=O)Cc1c(Cl)cccc1Cl 523376690 ZUIDRMLDSWPHKD-UHFFFAOYSA-N 299.201 3.687 30 20 CHED CCC[C@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 466832166 BVWRZDIJUFDANF-AWEZNQCLSA-N 257.381 3.587 30 20 CHED N#Cc1ccc(CN2CCCC3(CC3)C2)c(Cl)c1 439416928 BSQFOBMDSFZUPQ-UHFFFAOYSA-N 260.768 3.588 30 20 CHED Cc1cccc(NC(=O)N2CCC(CCC#N)CC2)c1 335384585 KOFFAUIFRNDMOB-UHFFFAOYSA-N 271.364 3.543 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc(Cl)c(F)c2)c1 720294191 QAZUBQLVKYUMOY-UHFFFAOYSA-N 292.672 3.742 30 20 CHED COc1ccc(C=NOCc2ccccc2)cc1C 839423108 KPENOTAQWXPAMF-UHFFFAOYSA-N 255.317 3.554 30 20 CHED C=C(Cl)CSCCN(C)Cc1ccccc1 788508022 FMWBCWDQIPKSHF-UHFFFAOYSA-N 255.814 3.604 30 20 CHED CCc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)s1 575947427 KBJYWWIZFKOAAH-AWEZNQCLSA-N 262.422 3.825 30 20 CHED N#Cc1cccc(OCCN2CCC[C@H]2c2cccs2)c1 51231158 WPKWEGVFASBGPV-INIZCTEOSA-N 298.411 3.836 30 20 CHED N#Cc1cc(NCc2ccc(Cl)cc2)ccc1F 51635029 UCMIJQYGUQKHID-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1noc(C)c1CSCc1ccc(F)cc1C#N 103135941 ONQXKVPXVUMUQH-UHFFFAOYSA-N 276.336 3.736 30 20 CHED C=CCCSCc1nnc(-c2ccccc2OC)o1 173833682 MGHOLUTXIDIQMQ-UHFFFAOYSA-N 276.361 3.555 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CC(C)(C)c2ccccc2)C1 116801173 WNOFJWXVGNYPJE-DNVCBOLYSA-N 298.430 3.943 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@H](CC)C2)CC1 174363625 UJJHMTZIPAYBFY-DOTOQJQBSA-N 264.457 3.585 30 20 CHED C=CCN(Cc1cccs1)Cc1ccccc1O 179553822 BSOBTZSIOXNPMI-UHFFFAOYSA-N 259.374 3.642 30 20 CHED N#Cc1ccccc1NC(=O)Cc1ccc2c(c1)CCCC2 58955225 CSFRZTRNLADPIM-UHFFFAOYSA-N 290.366 3.618 30 20 CHED N#Cc1nccnc1S[C@@H]1CCCc2ccccc21 176893348 TUQZLUCUNREJCJ-CQSZACIVSA-N 267.357 3.518 30 20 CHED N#Cc1ccccc1Oc1ccc(NC(=O)C2CC2)cc1 52390594 GWRJILQZOCKENZ-UHFFFAOYSA-N 278.311 3.699 30 20 CHED C=CCCC(=O)Nc1ccc(OCC)c(Cl)c1 102233688 XXEAZHZLRBVJJR-UHFFFAOYSA-N 253.729 3.643 30 20 CHED C=CC[C@H](C)NC(=O)c1sc(C)nc1-c1ccccc1 172323671 MJHLPNQYYDMFBU-NSHDSACASA-N 286.400 3.813 30 20 CHED N#CCCCCNC(=O)N[C@@H](c1ccccc1)C1CCCC1 170885552 NVXZEMBVTOUREE-KRWDZBQOSA-N 299.418 3.911 30 20 CHED C=C(Br)CNC(=O)[C@H](CCC)c1ccccc1 68952686 WXDORXMWNCYBNA-CYBMUJFWSA-N 296.208 3.595 30 20 CHED C=CC1CCN(c2nc(CC)nc3sccc23)CC1 301805931 BQCQDKVXSZNEKT-UHFFFAOYSA-N 273.405 3.656 30 20 CHED CC(C)(C)SCCNc1cccc(F)c1C#N 66817482 FSKANTGUXBOAHI-UHFFFAOYSA-N 252.358 3.641 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC1(C(C)C)CC1 176033025 PRKGKDGYQQCYKM-UHFFFAOYSA-N 292.448 3.882 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)Cc1cccs1 69607010 ICQPDXTXSAHRSU-LBPRGKRZSA-N 299.399 3.681 30 20 CHED N#CC1CCN(C(=O)CCc2ccc3ccccc3c2)CC1 61584383 SGSNTRQECUICCB-UHFFFAOYSA-N 292.382 3.535 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(-c2ccc(F)cc2)s1 24091071 SKUQYWANDAOKOL-VIFPVBQESA-N 275.304 3.623 30 20 CHED C=CCCCC(=O)N[C@H]1CCSc2ccc(F)cc21 175137766 RZBFQTZJCHALLI-ZDUSSCGKSA-N 279.380 3.835 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1c1cccc(C)c1C 174089531 NWMOOAIYNCXXLO-KRWDZBQOSA-N 284.403 3.563 30 20 CHED C=CCN(Cc1cn2ccccc2n1)Cc1cccs1 60942791 AZRTVJMKKJFSQP-UHFFFAOYSA-N 283.400 3.584 30 20 CHED C=C(C)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 301579693 IAZTWEPXKTVUHA-UHFFFAOYSA-N 268.740 3.617 30 20 CHED C#C[C@H](C)OC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 174409131 WYXZUQOIUGSVTB-VUCTXSBTSA-N 264.324 3.508 30 20 CHED CCS[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 125140555 RTHJMSLSANCTEK-CYBMUJFWSA-N 280.462 3.727 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 69333737 WHIBFZUTTAOWBU-CYBMUJFWSA-N 295.382 3.858 30 20 CHED CC[C@H](C)[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 181571297 JGYVAXCQKOGGHJ-JKSUJKDBSA-N 299.462 3.547 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccccc1CCOC 189557919 VAKMDXYOPQWEJE-AWEZNQCLSA-N 290.407 3.742 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(F)c2F)cc1 182722997 QUBXUIZFNKUCHP-JXMROGBWSA-N 274.266 3.870 30 20 CHED C#CCC(C)(C)C(=O)NC1CCC(c2ccccc2)CC1 185222831 DIURSHMWTNNQDL-UHFFFAOYSA-N 283.415 3.879 30 20 CHED CN(C(=O)C[C@@H]1C=CCCC1)c1cc(Cl)ccc1C#N 188479912 GBRGDGZRONSAIU-GFCCVEGCSA-N 288.778 3.921 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2CCCOc3ccccc32)C1 185809450 PUXSIKXMMQYGPA-LZWOXQAQSA-N 270.376 3.572 30 20 CHED C=CCC[C@H](N[C@H](C)c1nccn1C)c1ccccc1 183362975 MYIUVLZWUPYLRN-ZBFHGGJFSA-N 269.392 3.778 30 20 CHED CC#CCCCc1nc(CCCc2ccccc2)no1 184867718 GMWPFXAQIBWGCN-UHFFFAOYSA-N 268.360 3.591 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)Cc1occc1C 413566563 AMDMZRKZIWBUOY-UHFFFAOYSA-N 278.396 3.722 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 37131474 FFKWMYZZTALQHW-GFCCVEGCSA-N 281.315 3.948 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CC(C)(C)Oc3ccccc32)CC1 412102114 WNQSQXXYFOKVON-MRXNPFEDSA-N 299.414 3.756 30 20 CHED Cc1cc(CN2CC3(CCOCC3)[C@@H]2C(C)C)ccc1C#N 414536707 JTIHNXOJLSDXBI-SFHVURJKSA-N 298.430 3.504 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)C[C@H](C)c1ccccc1 502469205 NQONORIMDHFCIN-YOEHRIQHSA-N 272.392 3.625 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cccc2c1OCCO2 72614309 DKUCWLOZMHQZBR-AATRIKPKSA-N 286.352 3.724 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1F)c1ccc(OC)cc1 413031205 WXVLDPFTMTZVAW-HNNXBMFYSA-N 285.322 3.664 30 20 CHED CCC[C@@H](C(=O)N(C)c1ccccc1C#N)C(C)C 489224509 PXLUALVCJHVHEH-CQSZACIVSA-N 258.365 3.593 30 20 CHED N#CCCSc1nnc(-c2cccc3ccccc23)o1 126914329 HTMGUHBMNCKVNE-UHFFFAOYSA-N 281.340 3.896 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C(F)(F)F)nc1 189068310 DAEYCTFIUKFVAD-GFCCVEGCSA-N 272.270 3.641 30 20 CHED CCCCCCCCCCC(=O)Nc1cc(C)[nH]c(=O)n1 181883474 JUQOUOQMRHPFCT-UHFFFAOYSA-N 293.411 3.548 30 20 CHED Cc1csc([C@H](C)CN[C@H](C)c2ccc(C#N)cc2)n1 186567128 ZQRGYMUHKFOYNU-DGCLKSJQSA-N 285.416 3.778 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)CCc1ccccc1 79081539 HLOKWTFVLDHZLZ-HNNXBMFYSA-N 274.408 3.615 30 20 CHED CN(CCC1(C#N)CCCCC1)[C@@H](CO)c1ccccc1 411228620 SLRLUZATIDUWMF-KRWDZBQOSA-N 286.419 3.516 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CC1CC(F)(F)C1 412846789 XIIIHDRQMMZMLW-HNNXBMFYSA-N 293.357 3.725 30 20 CHED Cc1cc(Cl)c(C(=O)NCc2ccc(C#N)cc2)cc1C 180434255 MSTGHOHNDMFXQT-UHFFFAOYSA-N 298.773 3.759 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCC[C@H](SCC)C1 188486404 ZSTQHINGFUSNJW-KCQAQPDRSA-N 269.454 3.769 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cccnc1 414302080 MMOVEQAJWZIDNI-MAUKXSAKSA-N 266.388 3.920 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N(CCC#N)CC(C)(C)C 448918521 SXUQKAKKQFCAPM-LLVKDONJSA-N 292.345 3.753 30 20 CHED N#Cc1ccsc1NC(=O)C1CCCCCCC1 172707524 UMQAIGPSTJKPRT-UHFFFAOYSA-N 262.378 3.919 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ncc(C#N)cc2F)C1 413161965 DXSQFQQESQXRJD-BDJLRTHQSA-N 299.324 3.819 30 20 CHED C#CCCCCN[C@H](C)c1sccc1Br 130755163 RNUSVSOHRMFDQU-SNVBAGLBSA-N 286.238 3.965 30 20 CHED OC(C[C@H]1CCCC(O)=N1)=Nc1nccc2sccc12 329680529 XWHJESRWUDKMGA-SECBINFHSA-N 289.360 3.783 30 20 CHED N#CC1(CSCc2cn3cc(Cl)ccc3n2)CCC1 419420774 DXTJAQPSUBJYHQ-UHFFFAOYSA-N 291.807 3.915 30 20 CHED Cc1cc(/C(O)=N/C2(c3ccccc3)CCCC2)cnn1 329823195 HLVHKDFCNAJOSB-UHFFFAOYSA-N 281.359 3.559 30 20 CHED CCN(CC)Cc1cccc(NCc2ccc(C#N)o2)c1 135561148 IEFAFAPIXVWMCL-UHFFFAOYSA-N 283.375 3.605 30 20 CHED Cc1cccc([C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C)c1 501149894 IOOQTVZQMGEJFH-INIZCTEOSA-N 295.386 3.712 30 20 CHED C[C@@]1(CO)CCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 136954857 YNFYLLOHVJYERY-KGLIPLIRSA-N 298.308 3.540 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CCC1 194967545 YBEJKWRMLVTCLB-LSDHHAIUSA-N 273.351 3.544 30 20 CHED CCn1nccc1N/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329224098 ZCCFBAVYLOOWCB-MELADBBJSA-N 290.411 3.588 30 20 CHED C#CCCCC(=O)Nc1ccccc1OCCCC 192216354 FGEUHCNEDOQETR-UHFFFAOYSA-N 259.349 3.608 30 20 CHED N#Cc1ccsc1NC(=O)CC1CCCCCC1 175524210 OCBDGWLRPUUFAV-UHFFFAOYSA-N 262.378 3.919 30 20 CHED C#CCCCCN[C@H](C)c1ccc(F)c(Cl)c1 130813640 UDEQIVZLBKCBEJ-LLVKDONJSA-N 253.748 3.933 30 20 CHED Cc1csc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 88602667 MCHRDFCJCXXMCU-HOTGVXAUSA-N 297.427 3.723 30 20 CHED CC1CCN(CCSc2ccc(C#N)cc2F)CC1 427704534 KCUFCJQGMOAAGN-UHFFFAOYSA-N 278.396 3.521 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCN(c2ccccc2F)C1 426299414 VSYRBYITGNZZIL-HUUCEWRRSA-N 276.399 3.739 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1csc(O)n1 329928225 XSODHYQOBAJCFN-GARJFASQSA-N 280.393 3.512 30 20 CHED C#Cc1cccc(NC(=O)N(CC)CCc2ccccc2)c1 47399675 PZZXBQHKTYZBGI-UHFFFAOYSA-N 292.382 3.764 30 20 CHED O/C(=N/[C@H]1CCCc2occc21)c1ccc2c(c1)COC2 328968579 NTUDDBOBUMWFPY-HNNXBMFYSA-N 283.327 3.692 30 20 CHED CCc1ccccc1CNC(=O)c1cc(C#N)ccc1Cl 513292580 UNZQYDUDFKAXDD-UHFFFAOYSA-N 298.773 3.704 30 20 CHED C#CCCCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 192147266 WRIZPAAFYAHOHO-GOSISDBHSA-N 281.399 3.859 30 20 CHED COc1ccc(C#N)cc1COc1cccc2oc(C)nc12 428288259 WXZMYZBITYZSPP-UHFFFAOYSA-N 294.310 3.596 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2cccc(C(F)(F)F)c2)no1 334525131 FVDMUVRYQDKQQO-ISVAXAHUSA-N 293.248 3.557 30 20 CHED CCCCCCCCCC(=O)NCc1nccs1 193697110 SNXSVLVOSFRSCT-UHFFFAOYSA-N 268.426 3.900 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1ccc(Cl)s1 614800181 LNDAWVAEGAWQOW-VIFPVBQESA-N 277.780 3.519 30 20 CHED CCC(CC)S[C@H](C)C(=O)NC1(C#N)CCCCC1 519967961 CSODPYKWZZVYQS-GFCCVEGCSA-N 282.453 3.639 30 20 CHED O/C(=N/[C@@H]1CCCc2c[nH]nc21)[C@@H]1CSc2ccccc21 330127721 NAGOLIFANJWAPU-CHWSQXEVSA-N 299.399 3.633 30 20 CHED Cc1noc(C(C)C)c1/C(O)=N/[C@H](C)c1cncc(F)c1 330804804 JCKIZLLEPQWYBK-SECBINFHSA-N 291.326 3.706 30 20 CHED C=C(CNC(=O)N(C)[C@H]1CCC(C)(C)C1)c1ccccc1 512668985 YBSADKOYGOEPCY-INIZCTEOSA-N 286.419 3.920 30 20 CHED CC(C)C1CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 333574638 QIMQUURWDOTMOS-JMLCCBQJSA-N 288.435 3.791 30 20 CHED CCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)C(C)C 516006656 ZZMGWNSQHZXOCY-UHFFFAOYSA-N 291.394 3.957 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)C1 334731327 VVTKEWKGDWHCKE-OAHLLOKOSA-N 285.391 3.653 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(C#N)s1 336205950 ZMIOPTBWJRSDOB-JTQLQIEISA-N 288.347 3.592 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(C(F)(F)F)ccn1 439368379 CRVBRKIBAJETBH-JTQLQIEISA-N 287.285 3.577 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCCC12CCOCC2 337456542 JIDOEVBMBYKCMK-KKUMJFAQSA-N 251.414 3.526 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1ccc(F)cc1C#N 97472513 FQLYWWDJWNRGIM-LLVKDONJSA-N 277.343 3.644 30 20 CHED N#CCC[C@H](C#N)CN1CCC[C@@H](c2ccccc2)CC1 246509546 CTKNBFIAUTWDLK-SJLPKXTDSA-N 281.403 3.700 30 20 CHED C=CCN1CCC(F)(c2cccc(Cl)c2)CC1 439316567 LNEMQGYKLGWGLD-UHFFFAOYSA-N 253.748 3.787 30 20 CHED Cc1ccc(C#N)c(NC[C@@H](C)Sc2ccccc2)n1 346819082 RVGQCULXRFOXRI-CYBMUJFWSA-N 283.400 3.854 30 20 CHED C[C@@H](NCC1CC(C)(C)C1)c1ccc(C#N)c(F)c1 527349534 ROLVZUZPOLGNAR-LLVKDONJSA-N 260.356 3.784 30 20 CHED C[C@@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 245564197 QHQWFEJMIISNQN-HUUCEWRRSA-N 272.392 3.599 30 20 CHED COc1ccc2oc([C@H](C)NCC3(C#N)CC3)c(C)c2c1 348177374 YLFVBUKNAPMJEU-LBPRGKRZSA-N 284.359 3.704 30 20 CHED Cc1ccc(C(=O)C2CCN(CCCCC#N)CC2)c(C)c1 524112929 MUBVQMQKOBJUCW-UHFFFAOYSA-N 298.430 3.892 30 20 CHED C=CCC1(c2nc([C@H]3CCOc4ccccc43)no2)CCC1 346526027 IHTFVAATCGKPQL-AWEZNQCLSA-N 296.370 3.982 30 20 CHED C=C(C)[C@H](N[C@@H]1CCN(C)[C@H](C)C1)c1ccc(F)c(F)c1 248543303 CZBVJZVBPVHICV-MRRJBJDNSA-N 294.389 3.654 30 20 CHED C[C@H](CC#N)NC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 438828518 HENUEXSRFBQLBS-CYBMUJFWSA-N 286.419 3.680 30 20 CHED Cc1oc(C#N)cc1C(=O)NCC1(CC(C)C)CCCC1 436191260 PNFLERNBTLDAIT-UHFFFAOYSA-N 288.391 3.796 30 20 CHED CCN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CCCC[C@@H]1C 340119382 BBZNNJBDOHCPIF-WMLDXEAASA-N 284.403 3.793 30 20 CHED CCCCN(C(=O)[C@H](C#N)CCc1ccccc1)C1CC1 433230273 GKFBQQVUCMUHMR-INIZCTEOSA-N 284.403 3.550 30 20 CHED CC(C)Oc1ccccc1/C=C\c1ccncc1C#N 347457992 ZSWGSKXUYICBAW-FPLPWBNLSA-N 264.328 3.911 30 20 CHED C[C@H](CCC#N)CNc1ccc(F)cc1OC(F)F 602496611 OHTAJIQXLNXZOI-SECBINFHSA-N 272.270 3.779 30 20 CHED Cc1ccccc1[C@@H](C)NCc1ccc(F)c(C#N)c1 181537097 AHXPOYFGHXTLNH-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCC(C)(C)C1CCC1 602675330 MHVZYZOBPRUHLV-AWEZNQCLSA-N 278.440 3.501 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(C)n(C)c2C)CCCC1(C)C 347417031 CYZGYHDIKHQPLA-MRXNPFEDSA-N 288.435 3.849 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(OCC)c(Cl)c1 341425677 PWQJEYADEMDWRZ-NSHDSACASA-N 296.798 3.503 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2ccsc2)cc1OC 255074966 MXNJRVLNMKIPTP-PLNGDYQASA-N 288.368 3.970 30 20 CHED CC[C@H](c1ccccc1OC)N(C)c1cccc(C#N)n1 340970677 NHYPGOQPWWABBW-OAHLLOKOSA-N 281.359 3.549 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1cc2ccccc2o1 255865916 TTZSESYFTOXPPL-HJWRWDBZSA-N 288.306 3.977 30 20 CHED C[C@@H](CCOCc1ccccc1)NC[C@H](C)CCC#N 602661686 IJEJQDKNBJWVPR-CVEARBPZSA-N 274.408 3.511 30 20 CHED CCN(C(=O)c1cc(Cl)cc(Cl)c1F)[C@H](C)C#N 601668854 DKHKPVQOGVYQOF-SSDOTTSWSA-N 289.137 3.507 30 20 CHED C[C@@H](CCC#N)CN(Cc1cccs1)C[C@@H]1CCCO1 602435608 IMDVMUSOWHWXSW-GJZGRUSLSA-N 292.448 3.669 30 20 CHED CC(C)=CCSCC(=O)Nc1ccc(C#N)c(Cl)c1 446138443 PIRQNGCQPPBJDQ-UHFFFAOYSA-N 294.807 3.850 30 20 CHED C=C(CC)CSCc1noc(-c2ccsc2)n1 358638127 VDTVLMPSNFWPRQ-UHFFFAOYSA-N 266.391 3.998 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)C1CCCCC1)OCC 535138293 UXTYHEOCQVKWRD-OAHLLOKOSA-N 267.413 3.539 30 20 CHED CC#CCCNC(=O)c1c(-c2ccccc2)oc(C)c1C 444297994 LGKLPQKTXZRYCR-UHFFFAOYSA-N 281.355 3.707 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccc(C)c(C)c1 539441539 YGXPTRAXFNTLIE-HNNXBMFYSA-N 259.393 3.707 30 20 CHED C=C(CC)CN[C@@H](C)c1cccc(N2CCCC2)c1 539379548 UIQMUNDCXGQMBU-HNNXBMFYSA-N 258.409 3.904 30 20 CHED N#Cc1ncccc1N[C@@H]1C[C@@H]1c1ccc(Cl)cc1 357679179 HEKZOZXKVVQQLM-TZMCWYRMSA-N 269.735 3.575 30 20 CHED C=CCCNC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 617617413 FUMKMCIXYUHPBL-KGLIPLIRSA-N 257.377 3.668 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCc1c(F)cccc1F 537186806 HXBBXTNKMLTSJV-GFCCVEGCSA-N 296.361 3.551 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@@H]1CCC(C)C 350622761 FRNBFSCEFWXQIB-OAHLLOKOSA-N 288.439 3.747 30 20 CHED C=CCC1(C(=O)N(C)CCC(F)(F)F)CCCC1 449802363 JOAXSWQIRZPQPB-UHFFFAOYSA-N 263.303 3.534 30 20 CHED Cc1cccc([C@@H](C)Nc2nccc(C#N)c2[N+](=O)[O-])c1C 268457144 HAZLDIVHNFJCEC-GFCCVEGCSA-N 296.330 3.651 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCOC1CCCCC1 611392415 QRJRJGZAEVIOJB-LJQANCHMSA-N 298.430 3.875 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cc(C#N)ccc1C 534884899 AAIWMBCQEVDRCJ-GFCCVEGCSA-N 258.365 3.878 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)CC(C)C)c(C)cc1Cl 619433866 FQQDPWPLPBUMHU-LBPRGKRZSA-N 278.783 3.625 30 20 CHED CC1(C)C[C@H](NCc2ccc(C#N)c(Cl)c2)C(C)(C)O1 619754739 JOXBGXCCKRHGNU-AWEZNQCLSA-N 292.810 3.647 30 20 CHED C=C(C)CCc1noc(-c2ccn(C(CC)CC)n2)n1 351640622 IULXQEZDPJSRLE-UHFFFAOYSA-N 274.368 3.803 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 263660861 JVKYQPVIFXGYBB-CYBMUJFWSA-N 286.400 3.926 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(F)ccc3ccncc23)C1 617776805 BIFNLVYFRVQPFX-CYBMUJFWSA-N 298.361 3.802 30 20 CHED CN(CCOc1ccccc1Cl)CCC(C)(C)C#N 539587806 SBINJYSNYLVMIP-UHFFFAOYSA-N 280.799 3.590 30 20 CHED CC(C)c1ccccc1NC(=O)[C@H](C)ON=C1CCC1 265469848 PBIPOLGZLXPSDR-LBPRGKRZSA-N 274.364 3.694 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCC[C@@H]1CC 450482864 DIIKGXPSSDHTCA-HOCLYGCPSA-N 275.392 3.663 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CSc3ccccc32)n1 450553400 BQSGNGPRFOGBSZ-CYBMUJFWSA-N 281.384 3.563 30 20 CHED N#Cc1ccc(CN[C@H]2CSCc3ccccc32)c(F)c1 610812515 IVQCXLDYTMXFOM-KRWDZBQOSA-N 298.386 3.775 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 456425309 IIWJISVCJJZUJF-LLVKDONJSA-N 297.320 3.810 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(C(C)(C)C)c1CC 538337544 OTBGNKHWSJJFHB-ZDUSSCGKSA-N 291.439 3.675 30 20 CHED C=C(CC)CNC(=O)Nc1cnn(CCC(C)C)c1CC 455263596 AYSYTTJSVLVVCF-UHFFFAOYSA-N 292.427 3.579 30 20 CHED CC(C)(CC#N)CNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 458041655 MHZJHJLXCZMDND-CVEARBPZSA-N 284.403 3.626 30 20 CHED C=CCCc1noc([C@@H]2C[C@]23CCCc2ccccc23)n1 453233358 KCHOCKWIGDSVPS-YJBOKZPZSA-N 280.371 3.950 30 20 CHED C=C(C)CCNC(=O)C1(Cc2ccccc2Cl)CC1 452715386 CMUZXOYHVNDCNW-UHFFFAOYSA-N 277.795 3.745 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccccc2C)no1 275394244 CVGMDFINUJCFCI-INIZCTEOSA-N 272.348 3.525 30 20 CHED C=C(CNC(=O)c1cccc2cc[nH]c12)c1ccccc1 360222734 VGOGXMFCWNKWGG-UHFFFAOYSA-N 276.339 3.611 30 20 CHED N#Cc1ccccc1OCCN1CC[C@@H]1c1cccc(F)c1 610504924 IHXVMXBKEXRJAJ-QGZVFWFLSA-N 296.345 3.523 30 20 CHED C=CCCCC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 452194126 WFSLZGDNCSUZRR-OAHLLOKOSA-N 279.330 3.815 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(NCCC)cc1 545464722 IJIUREIPUQMQAH-HNNXBMFYSA-N 289.423 3.662 30 20 CHED CCCc1ccc([C@H](NC(=O)CC#N)c2cccs2)cc1 273909341 AMSJJEVKXLOWDW-KRWDZBQOSA-N 298.411 3.820 30 20 CHED CCS[C@@H](C)c1noc(/C=C/c2ccccc2C#N)n1 273847998 FVKBBEPKDAQHKP-FBOQAHMBSA-N 285.372 3.926 30 20 CHED C=CCC1(C(=O)N2CC[C@H](C)C(F)(F)C2)CCCC1 451169557 GPBCKOAJSIOJBT-LBPRGKRZSA-N 271.351 3.627 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C(C)(C)C)C(F)(F)F 547855063 ILMLYINETMWHRV-SNVBAGLBSA-N 280.334 3.571 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1CCC[C@@H](OC)C1 361877449 NNJCNGTYJDLTAH-HUUCEWRRSA-N 294.439 3.513 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)NCC(C)(C)CCC#N 454959205 MAYADHWVBORPAI-CABCVRRESA-N 293.455 3.832 30 20 CHED N#CC1(CN[C@H](c2ccccc2)C2CCC2)CCC1 450549221 BAZJERFIUKJMLB-MRXNPFEDSA-N 254.377 3.811 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(-c2ccccc2)ccc1O 271113663 DFLCNZNGDPEOFM-AWEZNQCLSA-N 280.371 3.651 30 20 CHED CC(C)(CC#N)CNCc1ccc(F)cc1Cl 459733588 QIDLPGHRTLSDLW-UHFFFAOYSA-N 254.736 3.509 30 20 CHED C=CCOCCNC1(c2ccc(F)cc2F)CCCC1 549925212 KSJSUNQLJMIOQD-UHFFFAOYSA-N 281.346 3.526 30 20 CHED C=CC(C)(C)CNC(=O)CCCCc1ccc(OC)cc1 452774167 DAVHRDZAPOWZLK-UHFFFAOYSA-N 289.419 3.736 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1ccccc1Cl 278665503 FOQHWYDLSAQRFC-SNVBAGLBSA-N 265.740 3.884 30 20 CHED C#CCCCCC(=O)N(CCC)Cc1ccc(F)cc1 271393342 SFVFUZWLBVWYPE-UHFFFAOYSA-N 275.367 3.758 30 20 CHED C=CCCC[C@@H](C)N[C@H](C(=O)OC)c1cccc(Cl)c1 540618957 XIYAEONSKQPXSB-DOMZBBRYSA-N 295.810 3.889 30 20 CHED C=C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 465144528 LSAFCGSZXINBMB-NEPJUHHUSA-N 282.387 3.597 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1ccc(Cl)s1 272424646 OPOVIAXGUZYZTN-CQSZACIVSA-N 298.839 3.779 30 20 CHED C[C@H](C#N)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 462012722 ZVVFJMULAPQCNV-CYBMUJFWSA-N 288.366 3.647 30 20 CHED C=CCCCCNC(=O)N[C@H](CC)c1nc(C)cs1 274606817 SMZDIPPVNCWLGY-GFCCVEGCSA-N 281.425 3.558 30 20 CHED Cc1ccccc1[C@H](NCC#N)[C@@H]1CCC[C@H](C)C1 540360566 ZLAKNTIPCHBRTL-YSVLISHTSA-N 256.393 3.976 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2NCCCCC#N)cc1 370643787 LCLGXOSQUKHUFG-SJORKVTESA-N 256.393 3.915 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2/C=C/c2ccccc2)c1 376455054 OLXHLGBZXIXANB-KBOKABMXSA-N 275.355 3.635 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(C#N)cc1 541581561 FHZOEZWXBVMDEP-GFCCVEGCSA-N 258.365 3.959 30 20 CHED C=CC[C@H](CC)NC(=O)CCSc1ccccc1 466542288 UWZGODQTFDQTHB-ZDUSSCGKSA-N 263.406 3.640 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 284858460 DIAPEPNGRGAZOJ-FZKQIMNGSA-N 284.403 3.682 30 20 CHED C[C@H](C(=O)N[C@H]1CCC(C)(C)C[C@H]1C)c1cccc(C#N)c1 462197047 DTKOIQFFCHOYHD-KEYYUXOJSA-N 298.430 3.993 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 556361112 DZGBZFJSCOZJJU-GFCCVEGCSA-N 295.810 3.826 30 20 CHED C[C@]1(CNc2ccc(C#N)c(Cl)c2)CCO[C@H]1C1CC1 466630769 KEBFQVGOQFXUSZ-JKSUJKDBSA-N 290.794 3.829 30 20 CHED C=C(C)Cn1c(C)nnc1N(CC(C)C)C1CCCC1 460555828 LENWXIOZDVTDHY-UHFFFAOYSA-N 276.428 3.568 30 20 CHED CCc1ccc(OCCCC2(C#N)CCOCC2)cc1 281460348 VFSRPTNEBMBYHT-UHFFFAOYSA-N 273.376 3.728 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)s1 281105877 GLMALHXBUZRJOP-UHFFFAOYSA-N 297.383 3.755 30 20 CHED C=CCC[C@@H](NCC(C)(C)OCC)c1ccco1 287522380 OPLKDYKTIFHGDA-CYBMUJFWSA-N 251.370 3.692 30 20 CHED N#Cc1cc(F)c(N[C@@H]2C[C@@H]2Cc2ccccc2)c(F)c1 462875680 SVEYTCPJINWSMC-XJKSGUPXSA-N 284.309 3.880 30 20 CHED C=C(C)[C@H](CC(=O)Nc1c(Cl)cccc1OC)OCC 637782271 CAUCGPHCDSIVPO-ZDUSSCGKSA-N 297.782 3.658 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 476145483 IKBIYHUBXBXIHA-YOEHRIQHSA-N 286.419 3.918 30 20 CHED C=CCCCCNC(=O)N1CCCC[C@H]1CCC 474085484 WYZTZVXJPPKMNC-CQSZACIVSA-N 252.402 3.707 30 20 CHED Cc1cc(Cl)c(NC(=O)N(C)[C@@H](C)CC#N)cc1C 297485497 SXLFYSAOIWBFCX-NSHDSACASA-N 279.771 3.723 30 20 CHED CCCCCCCCC(=O)N[C@@]1(CCC)CCOC1 804536976 HRWSBCJMODUJKZ-INIZCTEOSA-N 269.429 3.812 30 20 CHED C#C[C@H](NC(=O)[C@H]1CCc2c(Cl)cccc21)C(C)(C)C 807882455 QAFHDWUBZXVJIO-ZFWWWQNUSA-N 289.806 3.534 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Cl)cc1Cl 298687973 CBNQPYVAWYNYQN-QMMMGPOBSA-N 286.162 3.617 30 20 CHED C#C[C@@H](NCc1cnc(-c2ccc(C)cc2)s1)C(C)C 809684462 CXEYWGFSKDMFTP-MRXNPFEDSA-N 284.428 3.866 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1C[C@@]1(C)C(C)C 477016557 CVNQUYBTSHXEAQ-HOCLYGCPSA-N 251.414 3.873 30 20 CHED FCCC[C@H]1CCCC1=NOCCC(F)(F)F 800816218 FJPFIUJTDWQHMD-SECBINFHSA-N 255.255 3.861 30 20 CHED CC[C@@H](C#N)NC(=O)C1(C2CCCCC2)CCCCC1 471095268 KSUWIOZERCWQIL-HNNXBMFYSA-N 276.424 3.936 30 20 CHED C[C@H](CCCCO)Nc1cc(C#N)ccc1C(F)(F)F 296379867 UAKSJOLFBQLRCM-SNVBAGLBSA-N 286.297 3.540 30 20 CHED C[C@H](/N=C/c1ccccc1O)[C@H]1OCCc2sccc21 292192138 ZBQZGRQRHGYYPY-NIDOIIGTSA-N 287.384 3.575 30 20 CHED O=C(/C=C/c1cnccn1)c1cc2ccccc2s1 809156386 GVAWUOOXYPXSOS-AATRIKPKSA-N 266.325 3.587 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 644583442 CLDQMTKEDFWPIR-AAEUAGOBSA-N 261.365 3.622 30 20 CHED CC#CCCOC(=O)CCSc1cccc(Cl)c1 808702344 DQKMXFHQHFDNJN-UHFFFAOYSA-N 282.792 3.779 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@H](O)C(C)(C)C1 806332782 QXKAAMQNZNOLHZ-HNNXBMFYSA-N 298.471 3.539 30 20 CHED C=CCC[C@H](C(=O)Nc1conc1C)c1ccccc1 640488872 YSHMWXGJYZFTBK-AWEZNQCLSA-N 270.332 3.672 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(N2CCCOC2=O)cc1 814658105 MBXIVHOYBNUQNE-CQSZACIVSA-N 288.391 3.650 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC[C@@H](C#N)CCC#N)CC2 563013683 GNDPAJIHKJOWCJ-KDOFPFPSSA-N 281.403 3.830 30 20 CHED CC[C@H](N=c1ccc(C#N)c(C)[nH]1)c1ccc(C)cc1 487932478 RCZARLBPUZYYHA-INIZCTEOSA-N 265.360 3.555 30 20 CHED CCc1cccc(C)c1NN=C(C)CC1(C(=O)O)CCC1 814923064 JIHBGFWYHGCOQN-UHFFFAOYSA-N 288.391 3.990 30 20 CHED Fc1ccccc1NN=Cc1ccc(N2CCCCC2)o1 812459674 DGOIXBVIMUQGCB-UHFFFAOYSA-N 287.338 3.855 30 20 CHED CCN(Cc1ccc(O[C@H](C)C#N)cc1)CC(C)(C)C 812795111 LUOXYOSMOCJXGG-CQSZACIVSA-N 274.408 3.845 30 20 CHED CC(C)CN(CCC#N)C[C@H](C)COCc1ccccc1 719590860 GCLCAJLOSDSTPO-KRWDZBQOSA-N 288.435 3.711 30 20 CHED Cc1ccc(C(C)(C)CNC(=O)c2cccc(C#N)c2)cc1 485781917 CTOKKHICSOTTFS-UHFFFAOYSA-N 292.382 3.574 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C)c(OC(C)C)c1 488449494 AXYUCWJXTGXOSH-CQSZACIVSA-N 291.391 3.702 30 20 CHED CCCCCCCC[S@](=O)Cc1nc(C(F)F)no1 819121998 QLHFURIMXKCGQX-IBGZPJMESA-N 294.367 3.616 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1cccc(C3CC3)c1)C2=O 817345599 HWGPOEVPMGCTGR-GDNBJRDFSA-N 278.355 3.510 30 20 CHED Cc1nc(N(Cc2ccc(F)cc2F)C2CC2)ccc1C#N 488054874 HMUIIAWSVINAJU-UHFFFAOYSA-N 299.324 3.709 30 20 CHED C=CCC(F)(F)C(=O)N(CCC)CCc1cccc(F)c1 815607949 MLAVDOSZTIBCKD-UHFFFAOYSA-N 299.336 3.818 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N[C@]1(C#N)CC1(C)C 813303556 PQOBBKXOWVDBQO-UBAGTECSSA-N 288.778 3.552 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)c1ccccc1 484092546 DBDLIZVJYXMGMY-RDJZCZTQSA-N 257.377 3.888 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(C#N)cn1 577506485 XROZJLRTOQMXDP-HIFRSBDPSA-N 271.408 3.600 30 20 CHED CC[C@@H](C)CON=C1CCC[C@H](CCCC(=O)OC)C1 814939393 OWQPDNALCUAWRM-ZIAGYGMSSA-N 283.412 3.939 30 20 CHED C[C@H](O)c1cc(NCc2cc(C#N)ccc2F)ccc1F 814237233 MFKSNGHCCHLMLV-JTQLQIEISA-N 288.297 3.502 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)cn1 574871910 XXQZSAMWLNFOCF-LBPRGKRZSA-N 285.778 3.800 30 20 CHED COCC1(CNc2snc(Cl)c2C#N)CCCCC1 811865262 XBSXMMIVAXNUPJ-UHFFFAOYSA-N 299.827 3.677 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 488570594 DOMLXLIWOUONOT-DLBZAZTESA-N 286.419 3.930 30 20 CHED C=CCC(C)(C)CNC(=O)COc1ccc(Cl)c(F)c1 489957390 PGOZDGRDSHYUNB-UHFFFAOYSA-N 299.773 3.576 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@@H]1CCc2ccccc21 579410835 ZWBDUHBFRAWSST-MRXNPFEDSA-N 296.418 3.711 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCc1ccc(F)cc1 653766679 QARJXIZZHDMPCM-INIZCTEOSA-N 275.367 3.716 30 20 CHED C=CCC(F)(F)C(=O)OCc1ncc(-c2cccs2)o1 815314991 OPKFUOGKJPHULC-UHFFFAOYSA-N 299.298 3.658 30 20 CHED C=CC[C@H](CO)CN[C@H](CCC(C)C)C(C)(C)C 578814729 NLQBLKPNCDHUNT-LSDHHAIUSA-N 255.446 3.612 30 20 CHED C=CCCCCOC(=O)CCc1cccc(OC)c1 811010125 KHJBAMRRVJECNI-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N1CCCC(C)(C)[C@@H]1C#N 577810966 UUZKAGKAOAZDOZ-SJORKVTESA-N 298.430 3.796 30 20 CHED CC(=NNc1cccc(F)c1)c1sc(C)nc1C 726737351 PCRYFBKMOUTNMM-UHFFFAOYSA-N 263.341 3.735 30 20 CHED C=C(Cl)COC(=O)C[C@@H](CC)c1ccccc1 729025631 ZVEKYDFSXGMXGG-GFCCVEGCSA-N 252.741 3.866 30 20 CHED CC(C)(C)CCCC(=O)OCc1ccc(F)cc1C#N 729028816 YBDBXNZKOQUSOB-UHFFFAOYSA-N 277.339 3.957 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccccc1C(F)F 491486556 XEIZFBCYIYMZQF-SNVBAGLBSA-N 266.291 3.548 30 20 CHED C/C=C(/C=C/C(=O)Nc1ccc(F)cc1OCC#N)CC 492171341 RTKWEFCALKPJNH-NBKHWYKPSA-N 288.322 3.579 30 20 CHED Cc1cccc2c1CCC2=NNc1cccc(C#N)c1 729144304 XTOPNABYGVGUGV-UHFFFAOYSA-N 261.328 3.629 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)CCC(C)(C)C 495202207 NOJZGRKTIQLPPM-KGLIPLIRSA-N 266.429 3.951 30 20 CHED C=CCC[C@H](NC(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1 660939361 SSDQADAIAXLBDX-IKGGRYGDSA-N 284.403 3.745 30 20 CHED C=CC[C@@H]1CCCN(c2nnc([C@H](C)CC)n2CC)C1 669099327 PRNPIVHZGMHXDZ-ZIAGYGMSSA-N 276.428 3.604 30 20 CHED CC[C@@H](N[C@H](C)c1nnc(C)s1)c1cccc(C#N)c1 902951606 OKSQHAWEWCPAGI-QMTHXVAHSA-N 286.404 3.520 30 20 CHED C=C[C@@H](CC)Cc1nc(Cc2ccc(Cl)nc2C)no1 904165730 YTOJXAHFJJPPKP-NSHDSACASA-N 291.782 3.772 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCc2ccc(Cl)s2)C1 660282207 ROQPQGFQJAVWJE-LLVKDONJSA-N 298.839 3.899 30 20 CHED C=C(C)CON=C1CCC(CNC(=O)OC(C)(C)C)CC1 497062147 HWEQOCXBPTWCHV-UHFFFAOYSA-N 296.411 3.650 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCc1cc2ccccc2o1 495213158 PWACLGDXPJIPIR-HNNXBMFYSA-N 298.386 3.725 30 20 CHED C#C[C@@H](NCc1ccsc1)c1ccc(Cl)cc1 491736030 UPADLFLPAIIPDN-CQSZACIVSA-N 261.777 3.866 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)c(Cl)c1 580518918 IXZWXDNHRGAAEU-GLQYFDAESA-N 295.810 3.733 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)CCCCCC#N 588633693 HAUOUMMSPUCJFV-HUUCEWRRSA-N 264.413 3.888 30 20 CHED CC(C)Oc1ccccc1C(=O)OCc1cccc(C#N)c1 730048536 BXWIUVLCSUEBIU-UHFFFAOYSA-N 295.338 3.702 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cn1 730748218 MWZHWNUEHVMRDJ-HUUCEWRRSA-N 299.418 3.536 30 20 CHED CC(C)(C#N)CCn1nc(-c2ccccc2)nc1Cl 902701751 MUZGOMCYSZOIQO-UHFFFAOYSA-N 274.755 3.538 30 20 CHED CCC[C@H](C#N)NC(=O)c1c(OCC)ccc2ccccc12 904061407 ZJXOKPCCXPRHRH-CQSZACIVSA-N 296.370 3.661 30 20 CHED C#CCN(C(=O)[C@@H](C)Cc1ccccc1)C1CCCCC1 732537580 NKAPTWORBOSHLD-INIZCTEOSA-N 283.415 3.660 30 20 CHED COc1cc(Cl)cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 839063944 VAUGARPEEHWLEN-ZWNOBZJWSA-N 293.750 3.588 30 20 CHED N#Cc1ccc(F)c(COC(=O)/C=C\C2CCCCC2)c1 735564255 JWPRYWRTYADHGI-CLFYSBASSA-N 287.334 3.877 30 20 CHED Cc1ccc(C[C@H](C#N)SCc2ccncc2)cc1 901622655 DVBZZNDYHPUSGU-MRXNPFEDSA-N 268.385 3.758 30 20 CHED CC(C)(C#N)CCCCOC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 838122323 JUURBEHLEYJMMJ-MELADBBJSA-N 263.381 3.686 30 20 CHED CC(C(=O)Nc1ccc(C#N)cc1Cl)=C1CCC1 839305523 SQBNPARPBLOMEA-UHFFFAOYSA-N 260.724 3.651 30 20 CHED C=CCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 665941346 XEYZJVBZPZZKFV-IAGOWNOFSA-N 286.419 3.930 30 20 CHED CCc1noc(C)c1C(C)=NNc1cc(F)ccc1F 901320330 MYYUGIIOECOIEG-UHFFFAOYSA-N 279.290 3.660 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H]2C[C@@]2(C)C(C)C)cc1 582087620 TVERVUMCHGBLME-RYRKJORJSA-N 284.403 3.612 30 20 CHED C=CC[C@H](NCc1ccc(O)c(OCC)c1)c1ccncc1 838958388 KPKGEMKIJKBBPZ-INIZCTEOSA-N 298.386 3.593 30 20 CHED CSc1ccc(/C=C\C(=O)c2cc3n(n2)CCC3)s1 901560603 LUMMICYGLVONHD-XQRVVYSFSA-N 290.413 3.509 30 20 CHED C[C@H](CCNC(=O)CCCCCC#N)c1ccccc1 588155596 RDIDAAUIPSOYDZ-OAHLLOKOSA-N 272.392 3.770 30 20 CHED C=CCC[C@@H](C)Nc1ccc(OCCN(C)C)c(F)c1 839190552 QBYKYNPZVIFWMR-CYBMUJFWSA-N 280.387 3.533 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)cc1C#N 836891003 YQUMCEQFJFHWJE-SJORKVTESA-N 284.403 3.619 30 20 CHED CC(C)c1ccc(/C=C2\CCn3ccnc3C2=O)cc1 901531720 MTOQDNZLGBNZSO-RVDMUPIBSA-N 266.344 3.677 30 20 CHED Cc1cccc2cc(C(=O)N[C@H](C#N)CC(C)C)sc12 588952353 MSNWAVSCVHTBLK-ZDUSSCGKSA-N 286.400 3.878 30 20 CHED CSc1ccc(C(C)=NNc2nc(C)cc(C)n2)cc1 916241984 SPSVXEJXUDCWGM-UHFFFAOYSA-N 286.404 3.651 30 20 CHED CC(C)(C(=O)OCc1ccc(F)cc1C#N)C1CCC1 838158604 VQWNXMAWVITSOU-UHFFFAOYSA-N 275.323 3.567 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1cncc(Cl)n1 917548613 TWGOGNRGSOCCQZ-UHFFFAOYSA-N 292.745 3.690 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H](OC)[C@@H](C)C1 836463329 WYYZFFIJEWGIGG-JKSUJKDBSA-N 296.455 3.579 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 597002399 BFUUROCFKSRUCA-HALDLXJZSA-N 298.386 3.722 30 20 CHED C=C1CCN(C(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 591091471 IVPRHIGTBVPTRS-DZGCQCFKSA-N 273.376 3.514 30 20 CHED N#Cc1nc(Nc2ccc3c(c2)CCC3)sc1Cl 590570334 VLHALXMZHGXSJA-UHFFFAOYSA-N 275.764 3.900 30 20 CHED C=CCCC(=O)OCc1cnc2ccc(C)cc2c1 836105983 JWCHCPWJBFYHIV-UHFFFAOYSA-N 255.317 3.553 30 20 CHED N#CCCSCc1cccc(OC(F)(F)F)c1 593423168 LJTZBNTVMUPHAI-UHFFFAOYSA-N 261.268 3.732 30 20 CHED CCOc1ccc(C=Nc2ccc(C)cc2OC)c(O)c1 917557294 DVGRLHJIEYMYPX-UHFFFAOYSA-N 285.343 3.859 30 20 CHED N#C[C@H](c1ccccc1)N1CCC(C(F)(F)F)CC1 595331510 WECPQHFRENZYRA-CYBMUJFWSA-N 268.282 3.526 30 20 CHED C[C@H](CCC#N)N1CCc2nc(-c3ccccc3)sc2C1 595710597 AHLGHSQYEHVOBV-CYBMUJFWSA-N 297.427 3.860 30 20 CHED Cc1cnc([C@@H](C)/N=C\c2cc3ccccc3nc2O)s1 749931917 WYEHUPOTWFVOJZ-JWHLFPLYSA-N 297.383 3.885 30 20 CHED C=C(C)CNc1cc(Cl)ccc1C(=O)N1CCCC1 917820616 SXWRXQFOSNOJOA-UHFFFAOYSA-N 278.783 3.564 30 20 CHED CCCCCCCCC(=O)N(C)c1nccs1 915155973 SCRXIHQRPCIKRW-UHFFFAOYSA-N 254.399 3.857 30 20 CHED Clc1cccc([C@H]2CCC(=NNc3ncccn3)C2)c1 841619688 PONUMZZBKSMLFJ-LBPRGKRZSA-N 286.766 3.866 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1ccc2c(c1)COC2 742435825 ZGLPFJNFWKLXRX-NSIKDUERSA-N 296.297 3.515 30 20 CHED CC[C@@H](C#N)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 593657094 LPCBKDPTMIALCI-JSGCOSHPSA-N 270.376 3.713 30 20 CHED C[C@@H](CC(=O)Oc1ccc(C#N)cc1)CC(C)(C)C 916851928 LFKMYMQFBLPIPI-LBPRGKRZSA-N 259.349 3.926 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)Cc2ccccc21 746653335 KFMRBABILKNFHR-CQSZACIVSA-N 256.393 3.936 30 20 CHED CCCCCOc1ccc(C(=O)N(C)[C@H](C#N)CC)cc1 594101216 SEKPXRUJCNEBDP-HNNXBMFYSA-N 288.391 3.630 30 20 CHED CCCCOc1ccc(C=NNc2ccccn2)cc1OC 916276025 HBJOKCALDNOYEI-UHFFFAOYSA-N 299.374 3.715 30 20 CHED C[C@@H](N=c1[nH]c(C#N)c(Cl)s1)c1ccc(F)cc1F 590570157 WLQXEJVJUKIXOA-ZCFIWIBFSA-N 299.733 3.541 30 20 CHED CCCC(=NNc1ccc(Cl)nn1)c1ccccc1 916288136 NLSJCEOVCWLVNL-UHFFFAOYSA-N 274.755 3.746 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 841369242 ZCJURLMSQKWBRW-QOHRORDFSA-N 282.387 3.798 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@H]1CCC1CCCCC1 593537789 KOLGUQPBMAZGQU-HOTGVXAUSA-N 276.424 3.888 30 20 CHED CCC(C#N)(CC)c1nc(-c2cccc3ncccc23)no1 599159673 FNDLNOXEVJHEOX-UHFFFAOYSA-N 292.342 3.866 30 20 CHED CC#CCOC(=O)/C=C\c1cccc(OC2CCCC2)c1 744943111 BKPIBOOZOZHASK-QXMHVHEDSA-N 284.355 3.588 30 20 CHED CCC(=NNc1nc(C(F)(F)F)cs1)[C@H]1C[C@H]1C 841629676 RMOBPRQDXKGQMY-RQJHMYQMSA-N 277.315 3.996 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cncnc1C 848408558 RYGJTWGPYZHTTQ-UHFFFAOYSA-N 282.391 3.919 30 20 CHED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 597120766 JVJIPWBYVPKLNO-AWEZNQCLSA-N 296.336 3.920 30 20 CHED C#CCN(C(=O)N[C@H](C)CCCCC)C1CCCCC1 744810671 UYUKFXZHXBJGKX-OAHLLOKOSA-N 278.440 3.933 30 20 CHED CC#CCCNC(=O)c1ccccc1SCc1ccco1 680457274 UCEKQVHRMDSZRO-UHFFFAOYSA-N 299.395 3.715 30 20 CHED CC1(C)C[C@@]1(C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 597498475 IJLVPQNJRXXQKM-MOPGFXCFSA-N 296.414 3.507 30 20 CHED CC(C)CON=Cc1cccc(OCc2ccccn2)c1 749632478 ZGWHGBZMFAWPIK-UHFFFAOYSA-N 284.359 3.667 30 20 CHED Cn1c([C@H](C#N)C(=O)[C@H]2CC[C@H](C)CC2)nc2ccccc21 845436884 NNMBPXQCXZGXGT-MGPQQGTHSA-N 295.386 3.576 30 20 CHED C/C(=C\C(=O)N(C)c1cccc(C#N)c1)c1ccccc1 920348271 KJDQCUUBPALRAL-SDNWHVSQSA-N 276.339 3.625 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc2nc(C)oc2c1 929852007 DRYDPJSNYLGHJH-LLVKDONJSA-N 258.321 3.677 30 20 CHED C=CCCCCCCCNC(=O)Cn1cc2ccccc2n1 752986568 SSXJYJACNJVGLD-UHFFFAOYSA-N 299.418 3.679 30 20 CHED CC[C@@H](CC(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1)C(C)C 750731089 UKMCENMAMKMCBC-STQMWFEESA-N 298.390 3.515 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccccc1OC1CC1 851204428 QXUFNDJKSHTYDK-LBPRGKRZSA-N 287.359 3.713 30 20 CHED COC(=O)c1cc(/C=C/C(=O)c2cc(C)c(C)cc2C)c[nH]1 753136328 VFBUWAKKPOANII-AATRIKPKSA-N 297.354 3.623 30 20 CHED C#CCNC(=S)Nc1ccc(Oc2ccccc2)cc1C 758234936 PAOFWYVFKNOCHR-UHFFFAOYSA-N 296.395 3.707 30 20 CHED COc1cccc(C=NNc2cccc(Cl)c2F)c1O 921137600 DZNXHCMGLDKQKN-UHFFFAOYSA-N 294.713 3.639 30 20 CHED CCCCCC[C@H](C)NN=C(C)C[C@@H]1CCOC1 751530398 XJCPHBWBWKYJCE-ZFWWWQNUSA-N 254.418 3.737 30 20 CHED C=C1CCN(C(=O)Nc2nnc(C(CC)CC)s2)CC1 929405750 VNKWIRLLHUQUEU-UHFFFAOYSA-N 294.424 3.626 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 756791694 UHGZFLJQKMFCDI-VXGBXAGGSA-N 278.352 3.696 30 20 CHED C#CC[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 757580179 QZXOKKMFBNPUDE-LEUOFYLZSA-N 281.399 3.694 30 20 CHED Cc1ccnc(NN=Cc2cnc(-c3ccccc3)s2)c1 755907184 WUSIYOHELUIPCY-UHFFFAOYSA-N 294.383 3.960 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c[nH]c3cccc(F)c23)C1 855439268 YNKUUSDZOXMPKG-GFCCVEGCSA-N 286.350 3.735 30 20 CHED CCCn1nccc1/C=C1\COc2c(CC)cccc2C1=O 853007754 DDTXCDZJVBLRAS-SDNWHVSQSA-N 296.370 3.514 30 20 CHED CCOc1ccc(C(C)=NNc2cc(C)ccn2)cc1 755906616 OBGHIKGXMUDYSB-UHFFFAOYSA-N 269.348 3.625 30 20 CHED C#CC1CCC(=NNc2ncnc(Cl)c2C(C)C)CC1 853342942 QXQBZZDMBDQUSW-UHFFFAOYSA-N 290.798 3.845 30 20 CHED CC(C)C[C@@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 752770242 YTZBKVHCUXTIGU-SNVBAGLBSA-N 295.839 3.933 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(Cl)cc1)OCC 755431455 WVGNBMXAELRURG-ZDUSSCGKSA-N 268.740 3.617 30 20 CHED Cc1cccc(C)c1/C=C/C(=O)c1ccc(O)cc1 755570274 XGWPWALUIRUMBC-ZHACJKMWSA-N 252.313 3.905 30 20 CHED CCC[C@@H](C#N)NC(=O)CCc1cccc2ccccc12 865081039 AABLMAIYBVBDJD-INIZCTEOSA-N 280.371 3.581 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@@H](C)Cc1cccs1 933495694 ZVULVLPDCDDCBK-STQMWFEESA-N 265.422 3.645 30 20 CHED CCc1oc2ccccc2c1C=NOCc1cc(C)n(C)n1 767824246 KBEKBIOGIWXYKP-UHFFFAOYSA-N 297.358 3.588 30 20 CHED Cc1cccc2c1CCC2=NNc1ccc(F)c([N+](=O)[O-])c1 769822580 JVDCIGFYABDPAM-UHFFFAOYSA-N 299.305 3.805 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H](c2ccccc2C)C1 931425931 PQXDVUYQUBXQKU-CVEARBPZSA-N 271.404 3.913 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CC(C)(C)c1ccc(F)cc1 865114590 XVBUJBSTDSQEKG-OAHLLOKOSA-N 290.382 3.548 30 20 CHED CCCN(C)c1ccccc1NC(=O)C#CC(C)(C)C 863575096 ISWMXZBDNFBBHK-UHFFFAOYSA-N 272.392 3.521 30 20 CHED CCCCCC[C@@H](C)C(=O)OCC1(C#N)CCC1 768079627 XSZOIJKXLVVCHY-CYBMUJFWSA-N 251.370 3.830 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(F)cnc1Cl 768824199 QJEIWXJCLWQMEX-UHFFFAOYSA-N 298.745 3.751 30 20 CHED N#C[C@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1 932150093 FJRIKKYAIBQNGR-CYBMUJFWSA-N 283.400 3.546 30 20 CHED Cc1cc(/C=C\C(=O)c2occc2C)ccc1C#N 766489572 FMKYUPWJLDOHLU-XQRVVYSFSA-N 251.285 3.664 30 20 CHED CC#CCCCC(=O)OCCOc1ccc(F)cc1Cl 767672089 JODZYSCQIXZTAG-UHFFFAOYSA-N 298.741 3.595 30 20 CHED COCCC(=NNc1cc(C)cc(C)c1)C1CCOCC1 764896426 NSBHLLOKJRXWNU-UHFFFAOYSA-N 290.407 3.534 30 20 CHED CC(C)(CC(=O)Oc1ccc(C#N)cc1F)c1ccccc1 769738841 RJXFNGPFMKCOOI-UHFFFAOYSA-N 297.329 3.971 30 20 CHED CC(Cc1ccncc1)=NNc1nc2ccccc2s1 767744752 TURDJNCEEATGNL-UHFFFAOYSA-N 282.372 3.722 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccccc1F 766771702 JEZCEHQHDUBZAT-FPLPWBNLSA-N 255.292 3.679 30 20 CHED C#CCCCCC(=O)OCCCCc1ccccc1 768034687 RHCBTTYNFACEIL-UHFFFAOYSA-N 258.361 3.746 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)OCC1(C#N)CCC1 768085730 DXEXHBJWFIYKLO-MRXNPFEDSA-N 285.387 3.738 30 20 CHED CCCCCCCC(=O)Nc1cc(-c2ccco2)nn1C 1116811663 WZBHRGODPUVTFN-UHFFFAOYSA-N 289.379 3.979 30 20 CHED C=CC[C@H](CC)NC(=O)C(F)(F)c1ccccc1C 1116897734 QIGLSDGANVWIPF-LBPRGKRZSA-N 267.319 3.558 30 20 CHED C=C[C@H](CC(=O)OCc1ncc(C)s1)c1ccccc1 772027593 BEZDZKKFNFTPAF-CYBMUJFWSA-N 287.384 3.855 30 20 CHED O=C(CCC(F)(F)F)OCC#Cc1cccc(Cl)c1 773167658 ZHVNQZXLAHBQRS-UHFFFAOYSA-N 290.668 3.577 30 20 CHED C=CCC(C)(C)c1noc(C2(C)CC(F)(F)C2)n1 871848774 MJIWEZCQBIHYCH-UHFFFAOYSA-N 256.296 3.610 30 20 CHED C=C(Cl)CNC(=O)c1ccc(Cl)cc1C(F)(F)F 771371045 HZATUJHKOVIZHW-UHFFFAOYSA-N 298.091 3.841 30 20 CHED Cc1ccsc1-c1nnc(COc2ccc(C#N)cc2)o1 1117186657 GBMJXVPZGCOGCD-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CCCCCCCCN[C@H](CC)c1cnn(C)c1 772947894 DBGXGPQSEYOVEI-OAHLLOKOSA-N 251.418 3.821 30 20 CHED C=CC[C@H](C(=O)OCc1ccn(C(C)C)n1)c1ccccc1 778426199 DEQUOFSZMOSIDO-KRWDZBQOSA-N 298.386 3.867 30 20 CHED CCCCCC[C@H](C)NC(=O)c1cccc(F)c1C#N 778375735 TYRMTYLBAOOAFE-LBPRGKRZSA-N 276.355 3.786 30 20 CHED Cc1ccccc1C(C)(C)C(=O)OCCC(C)(C)C#N 776382207 BDGXEOWWLXUCOU-UHFFFAOYSA-N 273.376 3.756 30 20 CHED C#CCOC(=O)C1(c2c(Cl)cccc2Cl)CCC1 773677348 KKFPFFUKZUVNRA-UHFFFAOYSA-N 283.154 3.592 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H]1C[C@]1(C)C(C)C 773973913 VCTJPEMTBIRJQU-SUMWQHHRSA-N 287.359 3.545 30 20 CHED CC1(C)CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 781771271 CIVWVTFTFSEVAT-NWDGAFQWSA-N 282.343 3.830 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cc(F)cc2cccnc12 782288587 QSLLDBGIXUVLSF-HNNXBMFYSA-N 285.366 3.876 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H](CC(F)(F)F)C1 880326113 ZQBWJJRQYJIZLW-NSHDSACASA-N 277.330 3.780 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1cc(C)c(C)o1 789086273 QPSITSJKTFULCE-UHFFFAOYSA-N 295.342 3.574 30 20 CHED C[C@@H](OC1CCCCCC1)C(=O)OCCCC(C)(C)C#N 784142451 MCOQFQZIUHJWLZ-CQSZACIVSA-N 295.423 3.987 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccccc1Br 782299939 JVMCRVIKYLHDIR-ZDUSSCGKSA-N 295.224 3.951 30 20 CHED CC(=NNc1ccnc(F)c1)c1cc(C)sc1C 781127056 KILKTXGBGFERLH-UHFFFAOYSA-N 263.341 3.735 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(Cl)c(F)c1 785668855 YOSAKPSKYCVFGP-SNVBAGLBSA-N 286.730 3.504 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc(CC(F)(F)F)s1 894092360 YZEAZUPFZJLSNN-SNVBAGLBSA-N 290.354 3.788 30 20 CHED C/C(=C/C(C)(C)C)C(=O)Nc1cc(C#N)ccc1F 891450512 HKDRWWDWLNHJIX-NTMALXAHSA-N 260.312 3.628 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cccc([N+](=O)[O-])c1C 785761014 GDYQGVRVGLLHNN-HNNXBMFYSA-N 277.320 3.549 30 20 CHED CC[C@@H](C)n1nc(C(=O)OCCCC(C)(C)C#N)cc1C 784581816 JGERUTBMKKKOEY-GFCCVEGCSA-N 291.395 3.649 30 20 CHED C#CCCCCCC(=O)OCc1ccc2ncccc2c1 780351277 OZMKRCVEUAAYII-UHFFFAOYSA-N 281.355 3.862 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(C#N)cc1Cl 785761562 KHSKHIMHTZKDJN-OAHLLOKOSA-N 277.751 3.857 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C1CC1 797570596 IMVUMJWFZSXNSJ-OFFHKIPUSA-N 288.416 3.973 30 20 CHED Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 271460334 PQYLGWYESKAOBC-UONOGXRCSA-N 265.360 3.674 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)OCCCC#N)cc1 898912966 SEXUDVKGBAMUJR-DHZHZOJOSA-N 271.360 3.844 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ccc(CC#N)cc1 546255924 VZSOOZPIRKRJGB-LBPRGKRZSA-N 256.374 3.857 30 20 CHED N#Cc1ccc(SCc2cnc(Cl)cn2)c(Cl)c1 790000431 ZNYNTCQUUMMPPV-UHFFFAOYSA-N 296.182 3.947 30 20 CHED Cc1ccc(C=NNCCC(F)(F)F)cc1Cl 794552117 HTZUNRDFPTUHNN-UHFFFAOYSA-N 264.678 3.524 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNc1ncccc1F 794991110 WEUWWYIBRYFZRD-UHFFFAOYSA-N 277.730 3.937 30 20 CHED Cc1ccccc1-n1nccc1CN(CCC#N)CC(C)C 792766890 REQLCHZIOMAUHG-UHFFFAOYSA-N 296.418 3.552 30 20 CHED C=CC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1 732205906 GPPPUHCBZJPECO-UHFFFAOYSA-N 291.263 3.780 30 20 CHED FCC[C@@H]1CCCC1=NNCc1ccc(F)c(F)c1 794895016 AUXRKIWQUSYDJP-NSHDSACASA-N 270.298 3.570 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc(C#N)c(F)c1 798370232 HGPNNWHGFLSMPY-SREVYHEPSA-N 297.333 3.679 30 20 CHED C#CCN(C(=O)c1csc(Cl)c1)C1CCCCC1 688890598 AHBFAUULXXVWFP-UHFFFAOYSA-N 281.808 3.810 30 20 CHED C[C@@]1(C=NOCc2ccc(F)cc2)CCCS1 793040876 JSIQXYLHUFFVSU-ZDUSSCGKSA-N 253.342 3.614 30 20 CHED C#CCCN(CCc1ccc(F)cc1)C1CCCC1 760817935 CRUAZFFHGBCQCM-UHFFFAOYSA-N 259.368 3.636 30 20 CHED C[C@@H](CNCc1ccc(C#N)cc1)COCc1ccccc1 98173562 GFSGEGUUQKVMOV-INIZCTEOSA-N 294.398 3.501 30 20 CHED N#CCOc1cccc(NCc2cc(O)cc(Cl)c2)c1 1308676319 GFHLTMZPLWKVPQ-UHFFFAOYSA-N 288.734 3.560 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(CC)C1CC1 1301017925 PUJBBFCVEHHRKS-SNVBAGLBSA-N 282.819 3.533 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1Cc1ccc(C#N)cc1F 1308763498 RUQXAHOEPKYRMN-RDJZCZTQSA-N 274.383 3.810 30 20 CHED CC[C@H](CCc1ccccc1)Nc1nnc(C)c(C)c1C#N 1163729701 ZADDADASKBCJKW-MRXNPFEDSA-N 294.402 3.788 30 20 CHED CCC(C)(CC)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1164587770 XNMCJLHLRJRSOD-UHFFFAOYSA-N 284.363 3.508 30 20 CHED Cc1cccc(C)c1NC(=O)CC#Cc1ccccc1 1319640423 JWJFIYANXQRWDT-UHFFFAOYSA-N 263.340 3.684 30 20 CHED CC(C)n1ncc2cc(C=NOC(C)(C)C)c(Cl)nc21 1319577814 QYOYRGFAFYDZEZ-UHFFFAOYSA-N 294.786 3.815 30 20 CHED CC(C)[C@@H](C#N)C=NNc1ccc(C(F)(F)F)cc1 1253448125 CVYSWLDYEACDMK-JTQLQIEISA-N 269.270 3.899 30 20 CHED C=C1CCC(C(=O)Nc2cccc3oc(C)nc23)CC1 1331364227 XZLMLFLTMNSOLO-UHFFFAOYSA-N 270.332 3.821 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1347193520 CXWXZPIKJCCURH-CQSZACIVSA-N 270.376 3.680 30 20 CHED CC(=O)c1ccc(C(=O)Nc2cccc(CC#N)c2)cc1C 1436285095 KUOCIIHBTALQHI-UHFFFAOYSA-N 292.338 3.516 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 1350907815 OHVFIAKHIPPZDE-SWLSCSKDSA-N 294.354 3.513 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 1353907553 YUZAKAOANRIVMB-BRWVUGGUSA-N 287.378 3.886 30 20 CHED CC[C@H](F)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1436546588 MVGITQHOSZUXRA-NGZCFLSTSA-N 294.395 3.992 30 20 CHED N#CC[C@@H](OC(=O)C1(C(F)(F)F)CCC1)c1ccco1 1518001153 KUIGIVDLIAAWFY-SNVBAGLBSA-N 287.237 3.510 30 20 CHED N#CC[C@H](C(=O)N1CCC2(CCCCC2)C1)c1ccccc1 1361098486 KFLKWYYMFXXRRL-KRWDZBQOSA-N 296.414 3.867 30 20 CHED CC(C)c1ccc(C(=O)[C@@H](C#N)c2cccc(F)n2)cc1 1524695471 DFBDJVYAKWIYEY-AWEZNQCLSA-N 282.318 3.834 30 20 CHED CC1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCCCCC1 1528490012 NEYQARPPVBHTQY-UONOGXRCSA-N 263.381 3.972 30 20 CHED C=CCCCN[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 1609329392 WVWGWAUZSQYDHI-GFCCVEGCSA-N 288.174 3.675 30 20 CHED COc1ccc(NC(=O)[C@@H](C)c2ccccc2C)cc1C#N 1532696550 LFJWBRTZRYBLAF-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED CCc1nc(C#N)cc(N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1 1612505336 UNBABUKEAVGKAU-UONOGXRCSA-N 286.423 3.562 30 20 CHED CC[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CCC(C)C 1495049381 MHPGWICDSLNLCW-KGLIPLIRSA-N 291.443 3.576 30 20 CHED COc1cc(C#N)ccc1CN1CCc2c(Cl)cccc21 1642156968 ZAXNVQQFIWQUAV-UHFFFAOYSA-N 298.773 3.783 30 20 CHED CCc1ccc2c(c1)CCN2c1nc(C)ccc1C#N 1651509174 DHVFUWOTYHCBQH-UHFFFAOYSA-N 263.344 3.518 30 20 CHED N#CC1(CSc2nccn2-c2cccc(F)c2)CCC1 1652510217 KAHUNPAAKREETH-UHFFFAOYSA-N 287.363 3.797 30 20 CHED Cc1cc(N(Cc2ccc(F)cc2)CC2CC2)ncc1C#N 1650756878 GGBRYDLOYIFIID-UHFFFAOYSA-N 295.361 3.817 30 20 CHED CC(C)[C@H]1/C(=C\c2c[nH]c(C(=O)O)c2)C(=O)c2ccccc21 1591067603 GGVWNNMLRVDAIP-SNQWNFELSA-N 295.338 3.732 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(C)cc(C#N)c1 1662642349 FVFSCYWNKVFSEB-UKRRQHHQSA-N 271.364 3.567 30 20 CHED CCCC1CCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 1672775439 LFQVYPZBYQXKCO-UHFFFAOYSA-N 285.391 3.911 30 20 CHED O=C(O)c1ccc2c(c1)CCCC2=NOC1CCCCC1 1776056348 DGNDWLFUIUOHRY-UHFFFAOYSA-N 287.359 3.775 30 20 CHED Cc1ccc(C=NNc2ccc(F)c(C(=O)O)c2)c(C)c1 1776061730 LOFQTLUACKAJFH-UHFFFAOYSA-N 286.306 3.587 30 20 CHED C=CCc1ccccc1CN[C@@H]1CCC[C@@H](C(=O)O)CC1 1776189703 ROXATLWLGCPRAL-NVXWUHKLSA-N 287.403 3.538 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(/C=C/C(=O)O)o1)C2=O 1777455974 SVOGVPWKUUSSLW-ANKZSMJWSA-N 294.306 3.508 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(Cl)c(C(F)(F)F)c1 158253007 PKBIPPNHACKQMU-QMMMGPOBSA-N 291.656 3.818 30 20 CHED C=C(C)CN(CC)Cc1cn(-c2ccccc2)nc1C 158991254 STELNDPVVHDEGA-UHFFFAOYSA-N 269.392 3.579 30 20 CHED C=CCN(CCc1ccccc1)Cc1c(CC)noc1C 163179347 XRRQMJSOCPCXKO-UHFFFAOYSA-N 284.403 3.776 30 20 CHED CCN(CC#N)C(=O)C=C1CCC(C(C)(C)C)CC1 163482894 GLHITTDQKSIAIT-UHFFFAOYSA-N 262.397 3.521 30 20 CHED C=C(C)CNC(=O)[C@H](c1cccc(Cl)c1)C(C)C 153034386 IZQNIQLNKNZSDU-AWEZNQCLSA-N 265.784 3.772 30 20 CHED CC(C)Cc1ccc([C@@H](NC(=O)CC#N)C(C)C)cc1 153533958 XHOFWVUOTOLITP-KRWDZBQOSA-N 272.392 3.612 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C 156265916 XCZINXWOCIFJEH-MNOVXSKESA-N 291.782 3.721 30 20 CHED N#CC1(NC(=O)c2cccc(OC3CCCCC3)c2)CCC1 157310922 HFCSVUMIMVFJFR-UHFFFAOYSA-N 298.386 3.574 30 20 CHED C=CCN(C)C(=O)NCCc1ccc(-c2ccccc2)cc1 155491465 LNBMEHRSSJYZPA-UHFFFAOYSA-N 294.398 3.724 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(C3CC3)cc2)c1 1264121696 UXDRLMPTAWDUEF-UHFFFAOYSA-N 262.312 3.688 30 20 CHED C#CCOc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 253377978 YUQAWVDIYMAGBE-UHFFFAOYSA-N 285.730 3.604 30 20 CHED COc1ccc(C)cc1CNc1cccc(F)c1C#N 26728649 HMJRDHVIBBJNIR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC[C@H](O)c1ccc(OCc2ccc(C#N)cc2)cc1 35188689 ISJMWBBGDDAZJD-KRWDZBQOSA-N 267.328 3.581 30 20 CHED COc1cccc([C@@H](C)Nc2cccc(F)c2C#N)c1 36138874 QOLKTEPNYOGGMP-LLVKDONJSA-N 270.307 3.879 30 20 CHED Cc1ccc(C#N)c(NCCc2ccc(Cl)cc2)n1 43395671 HJYIQLSKNXPGMM-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 48474410 OPOSCORVWXKHOY-HZMBPMFUSA-N 291.782 3.912 30 20 CHED Cc1cc(CNc2ccc(F)c(C#N)c2)cc(Cl)n1 401831582 IVCJLODCEOWMEO-UHFFFAOYSA-N 275.714 3.666 30 20 CHED COc1ccc(CNc2cc(C)cc(C#N)c2)cc1C 308149209 FRMARQLJXTXZSS-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=C(CC)CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 512238002 XOGZIWHEURRSBS-LJQANCHMSA-N 284.447 3.551 30 20 CHED CCC[C@H](C#N)NC(=O)c1sc2ccccc2c1Cl 701175778 IYLLOJLYCRRFMZ-SECBINFHSA-N 292.791 3.977 30 20 CHED OC1=N[C@H](/C(O)=N/[C@H]2CCCCC23CCCC3)CC1 329793435 FRMCHFGAVWXHLV-RYUDHWBXSA-N 264.369 3.565 30 20 CHED C=C1CCN(CC[C@@H](C)OCc2ccccc2)CC1 354884418 SHLYEELSBPBPLS-MRXNPFEDSA-N 259.393 3.634 30 20 CHED Cc1ccc(C#N)c(N[C@@H](C)CCOCc2ccccc2)n1 340958104 CETRKSMSRFTSLL-HNNXBMFYSA-N 295.386 3.669 30 20 CHED C=CCSCC(=O)Nc1ccc(Cl)c(Cl)c1 6692267 MRDUEVCCSCHFQT-UHFFFAOYSA-N 276.188 3.851 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(C)c1O 7743752 QVLVUIAAYQJGTP-HWKANZROSA-N 296.322 3.634 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N(C)CCCCC#N 102396808 KOQJGGNPCNLMQJ-LLVKDONJSA-N 252.308 3.651 30 20 CHED C[C@H](C#N)Sc1nccn1-c1ccc(Cl)cc1 10270702 NYUUNPDTZGVDCQ-SECBINFHSA-N 263.753 3.530 30 20 CHED CC(C)COc1cccc(NC(=O)C2(C#N)CCCC2)c1 55468075 OHAQKMZQSJHQNS-UHFFFAOYSA-N 286.375 3.744 30 20 CHED C#CCCCCC(=O)N1CCC[C@](C)(c2ccccc2)C1 179927299 PQTWLRAINAGTIX-IBGZPJMESA-N 283.415 3.760 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2ncc(C#N)s2)cc1 56939526 PMOKOUIKUQNSNK-UHFFFAOYSA-N 285.372 3.565 30 20 CHED CCOc1cc(CNc2ccc(C#N)cc2)ccc1OC 20091257 RYJOHXUMDYUEEY-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 102226474 WQJXKVVYOOXFCV-CYBMUJFWSA-N 261.365 3.617 30 20 CHED CC[C@H](CC#N)N[C@H](C)c1ccc(F)c(Cl)c1 54183299 HNSHTYPUUGQRLT-MWLCHTKSSA-N 254.736 3.822 30 20 CHED COc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1 103267986 WYMANEWCFPOBEH-ZDUSSCGKSA-N 282.343 3.598 30 20 CHED CCCCCCCCC(=O)N[C@@H](C(=O)O)c1ccccc1 59218848 RGXBVJLMLQXLIN-MRXNPFEDSA-N 291.391 3.679 30 20 CHED COc1ccccc1C(C)(C)NCc1ccccc1C#N 103484246 HILDEPNOWARUFF-UHFFFAOYSA-N 280.371 3.592 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc(F)c(F)c2)CC1 173398614 WVKWDOWPVFWJDT-ZDUSSCGKSA-N 294.389 3.656 30 20 CHED CC[C@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 301581527 TVMRXNYRBGVINX-NSHDSACASA-N 285.778 3.996 30 20 CHED C=CC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 110365034 GWLUGTVWYSCGCA-UHFFFAOYSA-N 283.293 3.744 30 20 CHED N#Cc1csc(C(=O)Oc2ccc(Cl)c(F)c2)c1 179388592 RSFHZESAAHLUCP-UHFFFAOYSA-N 281.695 3.631 30 20 CHED Cc1cccc(C(C)(C)CNc2ccc(C#N)nc2)c1 301551816 YMDLHNZIHSNRKG-UHFFFAOYSA-N 265.360 3.651 30 20 CHED Cc1cccc(-c2cccc(C/N=C(\N)N(C)C3CC3)c2)c1 305812108 JTYZDNUKRMCEFG-UHFFFAOYSA-N 293.414 3.571 30 20 CHED C=CCCNc1cc(Cl)ccc1OC[C@@H]1CCCO1 303789247 FCSNKVBOIXDWID-ZDUSSCGKSA-N 281.783 3.886 30 20 CHED CCOc1ccccc1COc1ccc(C#N)cc1OCC 60713782 IHKFXYPAGKEOPO-UHFFFAOYSA-N 297.354 3.935 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCCc2ccc(C)cc21 179997779 CAZXYUBSYPUEBT-QGZVFWFLSA-N 269.388 3.682 30 20 CHED CCCCCCN1CCCN(c2ccccc2C#N)CC1 112678991 ZZQIHGOHVROXEH-UHFFFAOYSA-N 285.435 3.651 30 20 CHED N#Cc1ccccc1CNc1ccc(F)cc1OC(F)F 172932426 NBHDFQHWVHDOSX-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=CCC[C@@H](C)Nc1ccc(N2CCCCC2)nc1 130656539 JJPKCLRFNNJKDW-CQSZACIVSA-N 259.397 3.839 30 20 CHED CC(C)CN1CC[C@H](CNc2cc(Cl)ccc2C#N)C1 301610608 QQZNMZWUELCHCR-CYBMUJFWSA-N 291.826 3.601 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCCc3ccccc32)C1 408005194 SAOKRMJLNOLVPD-LJHODMEESA-N 296.414 3.695 30 20 CHED Cc1cc(C(=O)N(CC#N)C2CC2)c(C)n1C1CCCCC1 68230960 VSSKTCIXTRSIGG-UHFFFAOYSA-N 299.418 3.738 30 20 CHED Cc1cc(-c2noc(Cc3ccc(C#N)cc3)n2)ccc1F 171799804 VBMXGCDNMWRGPB-UHFFFAOYSA-N 293.301 3.647 30 20 CHED C=C1CCN(CCOc2ccc(OCCC)cc2)CC1 517468125 BJXRYDSUXNUMJW-UHFFFAOYSA-N 275.392 3.506 30 20 CHED CCC[C@@]1(C)CCCN(CCCSCC#N)C1 74991952 WAIYIPXTHBFHNH-AWEZNQCLSA-N 254.443 3.535 30 20 CHED C=CCC[C@H](C(=O)NCc1c(C)noc1C)c1ccccc1 187113157 GECCMIXGYXVAAR-INIZCTEOSA-N 298.386 3.658 30 20 CHED Cc1cc(O)c(CNc2ccccc2O[C@H](C)C#N)cc1C 181121566 VXDQWZDIHMAOPN-CQSZACIVSA-N 296.370 3.912 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C/C=C/c1ccc(C)cc1 410826746 JBAOIRQUVCTOEM-BIENSFFJSA-N 270.376 3.549 30 20 CHED C=C(CC)CN1CCC(c2nc3ccccc3[nH]2)CC1 358617932 UNZBTBNIKCSITQ-UHFFFAOYSA-N 269.392 3.709 30 20 CHED CC[C@H](C#N)NC(=O)c1c(-c2ccccc2)oc(C)c1C 189304523 VSLBSHYLZSHEHM-CQSZACIVSA-N 282.343 3.595 30 20 CHED C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)Oc1ccccc1Cl 185844096 HOZARSDHXBAOAG-HZSPNIEDSA-N 292.810 3.779 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1c(C)cccc1SC 184688864 JCFHNERKJVUKBN-NSHDSACASA-N 277.393 3.531 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccsc1 184073390 CHSMLTAKSOHMCN-JTQLQIEISA-N 287.344 3.683 30 20 CHED Cc1ccccc1Oc1nc(Cl)c(C#N)s1 260235958 JKKVDFFFOLEEQT-UHFFFAOYSA-N 250.710 3.769 30 20 CHED C[C@H](Nc1nc2ccccc2cc1C#N)c1ccccn1 71385770 HDYMESXOIMECIX-LBPRGKRZSA-N 274.327 3.675 30 20 CHED CCC[C@@H]1C[C@@H](C(=O)NC(C#N)(CCC)CCC)CCO1 181006138 RYZXTZCIKGPLLT-LSDHHAIUSA-N 294.439 3.560 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 504573172 RNTOQOSFJANPCB-OWCLPIDISA-N 261.409 3.794 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(C)c2ccccc2C#N)cc1 508103657 OYMNKQHAGFALEY-CQSZACIVSA-N 292.382 3.887 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCc1ccco1 79840169 SSBUOIWAJCBNQE-UHFFFAOYSA-N 287.334 3.566 30 20 CHED C[C@H](NCc1ccc(F)c(C#N)c1)[C@@H](C)c1ccccc1 183373678 FVGXJJXTNYFUQO-KGLIPLIRSA-N 282.362 3.979 30 20 CHED C=CCOC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 74252531 AKGLSQUPLXJVMG-UHFFFAOYSA-N 291.734 3.657 30 20 CHED C=C(C)CCc1noc([C@@H](C)COc2ccccc2)n1 508688922 ZAGLJYZRRQXQEQ-ZDUSSCGKSA-N 272.348 3.761 30 20 CHED C=CC[C@H](C(=O)NCc1cccc(OC)c1)c1ccccc1 186084541 QHKSHMPCWJUEFV-SFHVURJKSA-N 295.382 3.671 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1 188030306 HULNHGUATHLNCU-CQSZACIVSA-N 297.358 3.543 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(Cl)c1Cl 136181999 OTUAGDMSJSTEPR-LBPRGKRZSA-N 271.147 3.872 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)[C@@H]1C 416925344 SKRMHSFBKUKVOI-MXWKQRLJSA-N 291.782 3.720 30 20 CHED O=C(/C=C/c1c[nH]nc1-c1ccccc1F)c1ccncc1 182247859 XIXZPIDMRPRKFS-AATRIKPKSA-N 293.301 3.507 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(C#N)cn2)cc1Cl 187897882 RLYWDJOSXUGNQL-UHFFFAOYSA-N 299.761 3.982 30 20 CHED C[C@@H]1C[C@H](CNc2cc(C#N)ccc2C(F)(F)F)[C@@H](C)O1 413526330 BLUBRNXSHNLUNH-CKYFFXLPSA-N 298.308 3.802 30 20 CHED C=CCC[C@H](NC(=O)CCOC(C)C)c1ccccc1 133935115 PQFCKFSRYYRRGU-INIZCTEOSA-N 275.392 3.625 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1c(F)cccc1Cl 42364883 NFPUEWMYASYHNA-UHFFFAOYSA-N 288.753 3.983 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H](C)c1cccc(F)c1 131265198 DIGFZCMNDXNHIW-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED CCC1CCC(/N=C(/O)c2snnc2C2CC2)CC1 329863623 ZGEKJBSTKTUUPQ-UHFFFAOYSA-N 279.409 3.689 30 20 CHED Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1F 174430727 TVDHHTJLIAELRU-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C#CCCCCNCc1cccc(-c2cccnc2)c1 133660867 RISSHRCRKJNTQW-UHFFFAOYSA-N 264.372 3.642 30 20 CHED Cc1ccc(C(C)(C)/N=C(/O)c2ccc3c(c2)COC3)cn1 329724957 BSNMUDCIOFHXSS-UHFFFAOYSA-N 296.370 3.660 30 20 CHED C=CCCCCCN(C)C(=O)Nc1c(C)noc1CC 89416505 YFUQRAGJJGINBZ-UHFFFAOYSA-N 279.384 3.756 30 20 CHED CCc1nc(COc2c(C)cc(C#N)cc2C)cs1 88154539 LMVRKAXVOOVQSB-UHFFFAOYSA-N 272.373 3.773 30 20 CHED Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C)c(C#N)cc1N(C)C 425610722 MQWOKIFFWFEHOY-IUODEOHRSA-N 299.418 3.698 30 20 CHED C=C(Cl)CNc1cc(C)ccc1Br 134863726 ZCIGMMHNVIFKSH-UHFFFAOYSA-N 260.562 3.922 30 20 CHED CC(C)(CCC#N)CNc1ccc(N2CCCCC2)cn1 131592765 ZOQKHMCLXPPVTH-UHFFFAOYSA-N 286.423 3.814 30 20 CHED CCc1ccccc1CN(C)Cc1cccc(C#N)c1 527325147 LPLSXARHIUYRKP-UHFFFAOYSA-N 264.372 3.753 30 20 CHED CCCCCCCCC(=O)N(C)C1(C#N)CCC1 194511098 SYBOIRCWFFJXGH-UHFFFAOYSA-N 250.386 3.642 30 20 CHED C=CCc1ccccc1OC(=O)c1cc(C#N)cs1 83938018 MWLOXHFLZLEPPS-UHFFFAOYSA-N 269.325 3.567 30 20 CHED Cn1cc(CN[C@@H]2c3ccccc3CCC2(C)C)cc1C#N 191472171 GUNRNTJKDNGEKA-GOSISDBHSA-N 293.414 3.700 30 20 CHED CCCCCC[C@@](C)(CCC)C(=O)N1CCO[C@@H](C#N)C1 80080955 YKHNNYSUDWTJJU-DOTOQJQBSA-N 294.439 3.514 30 20 CHED CC[C@](C)(C#N)C(=O)NCC1(c2ccc(C)c(C)c2)CCC1 515390809 SMTDHYYRSKQNHA-GOSISDBHSA-N 298.430 3.781 30 20 CHED CN(CCCCC(C)(C)C#N)CCc1cccs1 234271907 BBIFQSLMPBWANP-UHFFFAOYSA-N 264.438 3.942 30 20 CHED N#Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)s1 335793439 YTUCBBFVFMPUSI-UHFFFAOYSA-N 296.395 3.640 30 20 CHED CC(=O)Nc1ccc(F)c(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)c1 331078928 NCTPOFFAEXVGDQ-ZYHUDNBSSA-N 292.354 3.525 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C1[C@@H]2CCCC[C@@H]12 335192157 KWUJDPKKPYNFEI-CHWSQXEVSA-N 288.778 3.781 30 20 CHED Cc1cccnc1CN(Cc1ccc(C#N)cc1)C(C)C 93168609 FPVFRULFIRKQHR-UHFFFAOYSA-N 279.387 3.672 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 332683749 FQHLRMLHRGFNIJ-RRFJBIMHSA-N 291.439 3.584 30 20 CHED C=CCN(CCC#N)[C@H](C)c1nc(-c2ccccc2C)no1 428858695 FELSAZXGYYYHDN-CQSZACIVSA-N 296.374 3.508 30 20 CHED C=CCN(CCC#N)Cc1ccccc1OCC(C)C 428844983 YFOREHLPWOZAQK-UHFFFAOYSA-N 272.392 3.623 30 20 CHED C=CCSCCNC(=O)Nc1ccccc1C(F)F 425711290 JSHQTFPMDAPXFP-UHFFFAOYSA-N 286.347 3.665 30 20 CHED CC(C)(C#N)CC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 334332389 QORQTHLAMQWSIM-OAHLLOKOSA-N 284.403 3.578 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N[C@H]1CCC[C@H]1C#N 331127202 OZVUSLFNGNHUTJ-PMPSAXMXSA-N 276.424 3.791 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CC12CCCC2 335192175 LFTSBFPITXCJTR-CYBMUJFWSA-N 288.778 3.925 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CCCc2ccccc21 519071516 JSGLMKNLNDFRQG-YOEHRIQHSA-N 287.403 3.504 30 20 CHED Cc1cc(F)cc2c1CN(Cc1cccc(C#N)c1F)CC2 337398509 JUZOPSVWTALVAI-UHFFFAOYSA-N 298.336 3.703 30 20 CHED CC(C)CCN(CCC#N)C(=O)CC(C)(C)C1CC1 339930114 WWHOPOBTUYQEJN-UHFFFAOYSA-N 264.413 3.601 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc2c(c1)cc(C)c(=O)n2C 430217746 LMNUTUMHKSKVIU-JSGCOSHPSA-N 284.403 3.860 30 20 CHED C=CCCC(=O)N(Cc1ccccc1)Cc1ccco1 338616096 GHWRFLSZIWMUFG-UHFFFAOYSA-N 269.344 3.775 30 20 CHED CN(Cc1cccc2[nH]ccc12)C(=O)C1(C#N)CCCCC1 336104375 BNXNZSKRBSSDDK-UHFFFAOYSA-N 295.386 3.600 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCCCC1CCCCC1 437601954 MCGRYHKJTSUDSG-KRWDZBQOSA-N 281.440 3.692 30 20 CHED C=CCCCCCN(C)C(=O)Nc1nc2c(s1)CCC2 523554345 NGOPERSZVLJAEY-UHFFFAOYSA-N 293.436 3.842 30 20 CHED CC(C)(C)C1CCC(O)(CNc2ccc(C#N)cc2)CC1 520331800 HXXYEBLALKPLGT-UHFFFAOYSA-N 286.419 3.938 30 20 CHED C=CC1CCN(C(=O)c2cccc(F)c2SC)CC1 435463417 LUGRDUGJBNFELD-UHFFFAOYSA-N 279.380 3.586 30 20 CHED CCC(C)(C)C1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 346677247 QVTAKZSKBASYDS-UHFFFAOYSA-N 287.407 3.611 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@H]2C[C@@]23CCCc2ccccc23)C1 246425489 NMKGMKSTLUONOB-ZSFPCNDZSA-N 295.382 3.516 30 20 CHED C[C@H](CCC#N)CNC(C)(C)COCc1ccccc1 602649010 RTBCHQOPBWOIKW-OAHLLOKOSA-N 274.408 3.511 30 20 CHED COc1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1C 602722760 HFQYTNMXQUAHSP-CYBMUJFWSA-N 288.391 3.515 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1c(Cl)ccc2c1CCO2 439419774 XRKSEGQUQGYYQH-JTQLQIEISA-N 294.782 3.751 30 20 CHED CC[C@@H](NCCc1cccc(C#N)c1)c1ccc(OC)cc1 343540804 WBVIGTWJTYASRO-LJQANCHMSA-N 294.398 3.850 30 20 CHED C=CC1CCN(C(=O)C(C)(C)c2ccc(C)cc2)CC1 520326767 KIRZMZQUROLSEM-UHFFFAOYSA-N 271.404 3.697 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1(CC)CCC1 433421203 HIQFNIYPSFOVAP-UHFFFAOYSA-N 275.367 3.921 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 538410292 LYUWUZLEMISQAC-MNOVXSKESA-N 286.297 3.610 30 20 CHED CCOc1cccc(/C=N\CC(C)(C)c2ccncc2)c1O 255029481 XWIDTQPLXGFQQH-NDENLUEZSA-N 298.386 3.583 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cccc(-c3ccccn3)c2)C1 349853315 RXTAQNPNMPOBAC-WMLDXEAASA-N 277.371 3.530 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCc3ccccc32)c1 347470059 ZQIXSZNHXTZNEQ-KRWDZBQOSA-N 290.366 3.903 30 20 CHED CC[C@@H](Nc1nccc(C)c1C#N)c1ccc(OC)cc1 343503492 FFFUFHMBUSJUNF-MRXNPFEDSA-N 281.359 3.834 30 20 CHED C=CCC1(C(=O)Nc2nc(CC)cs2)CCCC1 449842740 FNGYMRBTBJEZBP-UHFFFAOYSA-N 264.394 3.781 30 20 CHED CCCCOc1ccccc1NC(=O)c1cc(C#N)[nH]c1C 448761946 FAQXGLUICMDQIF-UHFFFAOYSA-N 297.358 3.626 30 20 CHED O=C(/C=C\c1ccsc1)c1ccc(N2CCOC2=O)cc1 255067993 BLVSAIBBHRHTAQ-BHQIHCQQSA-N 299.351 3.601 30 20 CHED CSc1ccc(C(=O)/C=C\c2cccc3nccn23)cc1 255504235 FETVUZYAEGCRLR-YFHOEESVSA-N 294.379 3.952 30 20 CHED C=CCN(C)C(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 253585884 DTNLBYLFJOJZBY-LNLFQRSKSA-N 283.415 3.680 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)C(C)(C)C#N 298877827 XLHBWPJGZPWDPN-UHFFFAOYSA-N 280.755 3.617 30 20 CHED C[C@@H](C#N)CN(C)Cc1cnc(C2CCCCC2)s1 536641618 FNYDPLXNFBRALY-LBPRGKRZSA-N 277.437 3.782 30 20 CHED CC[C@@H](NCCN1CCCC(C)(C)C1)c1ccc(C#N)cc1 447572579 ONLOFJSZUNXDPB-GOSISDBHSA-N 299.462 3.721 30 20 CHED C[C@@H](Cc1cccs1)NC1CCC(C)(C#N)CC1 449077326 VOJPOBYLDKOKCN-OPFPJEHXSA-N 262.422 3.741 30 20 CHED COC(=O)c1cccc(COc2cccc(C)c2C)c1C#N 535163612 ZSPNBZZIJKUTJV-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N[C@H](C#N)C1CCCCC1 530654125 WUNLHDRWSUCPLE-FUHWJXTLSA-N 298.430 3.844 30 20 CHED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)Oc1ccccc1 447541109 LDBMKNSVYRTLRN-CABCVRRESA-N 272.392 3.516 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 350113745 IRYFIOXDUUQHPW-ZDUSSCGKSA-N 293.798 3.640 30 20 CHED C=C1CCN(Cc2ccc(OCCC)c(OC)c2)CC1 353307456 KKTUFJUBRZAEGN-UHFFFAOYSA-N 275.392 3.636 30 20 CHED C=CCOc1cccc(CN(C)C2CCC(OC)CC2)c1 353472654 PCALHZMZTUQBHB-UHFFFAOYSA-N 289.419 3.641 30 20 CHED C=CC(C)(C)CNCc1c[nH]nc1-c1ccc(F)cc1 449484626 ILOVWVXEZFTFOD-UHFFFAOYSA-N 273.355 3.518 30 20 CHED CCCC[C@H](CCC)CNC(=O)N1CCC[C@@](C)(C#N)C1 612137739 CKVAWFXMKUWINP-RDJZCZTQSA-N 293.455 3.928 30 20 CHED C[C@@H](NC(=O)c1cccc2c1CCC2)c1cccc(C#N)c1 610361145 RVVUZHZIMRYBPX-CYBMUJFWSA-N 290.366 3.538 30 20 CHED CC[C@@H](F)CN(CCC(F)(F)F)CC(F)(F)F 440494292 IILPAIXOYWMCGN-SSDOTTSWSA-N 269.204 3.551 30 20 CHED CCO[C@H]1C[C@H](N(C)CCCCC(C)(C)C#N)C1(C)C 444641109 OSQKGILGSAYAET-GJZGRUSLSA-N 280.456 3.842 30 20 CHED COc1ccccc1CSc1ccc(C#N)cc1F 610219783 QOIZRDSDBSIEHX-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)c1cccc([N+](=O)[O-])c1 449091621 QTCJVNMMVGPHBC-YGONEPDPSA-N 287.363 3.718 30 20 CHED CC[C@H](C)CN(CC)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618849824 SCVXITCGGUZLNI-GUYCJALGSA-N 299.418 3.623 30 20 CHED C=CC1CCN(C(=O)[C@H](CCC)CC(C)C)CC1 449853661 HFGGAFPRSSULRY-OAHLLOKOSA-N 251.414 3.873 30 20 CHED C=C(C)CNC(=O)[C@H](CCC)c1ccc(Cl)cc1 613664723 JDLVOLZENXSHEI-CQSZACIVSA-N 265.784 3.916 30 20 CHED CC(C)(C)C1CCC(CNC(=O)c2cnccc2C#N)CC1 358961667 ALFGBVDGTRCYQF-UHFFFAOYSA-N 299.418 3.536 30 20 CHED N#Cc1cccc(Cl)c1NCC1(CO)CCCCC1 610589384 RXOGCCNSJWPDGX-UHFFFAOYSA-N 278.783 3.566 30 20 CHED COc1c(CN[C@@H]2CCC[C@H](C#N)C2)oc2ccccc12 618577813 UYVBCMVMWPPKPI-QWHCGFSZSA-N 284.359 3.613 30 20 CHED C[C@H](F)CCN1CCC(C(F)(F)F)(C(F)(F)F)C1 352023974 BXVAHYNDQYNBKX-ZETCQYMHSA-N 281.215 3.551 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C(C)(C)C)C(F)(F)F 531561870 IMXICSZNMRGURK-GFCCVEGCSA-N 277.330 3.848 30 20 CHED CCC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1 533086458 GUOSYMBWDWLVDY-INIZCTEOSA-N 256.393 3.959 30 20 CHED Cc1nc(SCC2(C#N)CC2)[nH]c1Cc1ccccc1 534305205 JRMRTMMDFNEKCG-UHFFFAOYSA-N 283.400 3.705 30 20 CHED C=CC(C)(C)c1nc(Cc2cc(C)ccc2F)no1 453277596 DRZXNQJJHUHECR-UHFFFAOYSA-N 260.312 3.572 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)c1cccc(C2CC2)c1 452196096 RILQDYFFLGADLI-ZIAGYGMSSA-N 287.403 3.722 30 20 CHED C=CCCc1noc([C@@H](C)c2cn(C)c3ccccc23)n1 453231863 INMJEQDFAXBYHK-LBPRGKRZSA-N 281.359 3.832 30 20 CHED C=C1CCN(Cc2nc(-c3ccccc3)oc2C)CC1 264511044 XQOZSJXMFCHCME-UHFFFAOYSA-N 268.360 3.802 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3ccc(OC)cc3[nH]2)C1 617786967 DTXSXUBLTFSDRO-ZDUSSCGKSA-N 298.386 3.605 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2cnccc2c1 450428259 VTTTZRLXCOWNMW-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED C[C@@H](CCC#N)N1CCC[C@@H](c2nc3ccccc3o2)C1 616015961 HQTLRVNAFGWMSQ-UONOGXRCSA-N 283.375 3.699 30 20 CHED CCc1cnccc1[C@H](C)NCc1cc(C#N)ccc1F 361129522 DVXQISNIYKUIKQ-LBPRGKRZSA-N 283.350 3.506 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](C)c1cc(C)ccc1OC 454179274 JDAIKLDGGZMQQF-ZDUSSCGKSA-N 290.407 3.576 30 20 CHED N#CC1(c2nc(-c3ccc4ncccc4c3)no2)CCCC1 273945248 NIYIHBOXKMEIQK-UHFFFAOYSA-N 290.326 3.620 30 20 CHED C=CCC1(NC(=O)[C@@H]2CC23CCSCC3)CCCC1 619110709 NVTPRURGBJTJRL-ZDUSSCGKSA-N 279.449 3.525 30 20 CHED CC(C)N(Cc1cccs1)C(=O)c1ccc(CC#N)cc1 270240381 CJHUIKZCBYILLY-UHFFFAOYSA-N 298.411 3.865 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC(CF)CC2)c1 450683993 IGAIEBFOTRCJOY-UHFFFAOYSA-N 286.272 3.763 30 20 CHED C[C@H](CCc1ccc(F)cc1F)NCC(C)(C)CC#N 459730385 LWQFKALVBOURBN-GFCCVEGCSA-N 280.362 3.815 30 20 CHED C=CCC1(C(=O)Nc2scnc2CC)CCCC1 450292770 YMVDROFWDRSGRR-UHFFFAOYSA-N 264.394 3.781 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccc(F)c(C)c1 271378463 PZCSZLFJBAGCFK-CYBMUJFWSA-N 261.340 3.505 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 362250664 NSIZESJSAXTEFF-OAHLLOKOSA-N 287.403 3.911 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(Sc2ccccn2)cc1 362616363 VWLRIWWIIINKJY-GFCCVEGCSA-N 284.384 3.537 30 20 CHED CN(C(=O)NCC(C)(C)CC#N)C1CCC(C)(C)CC1 459261261 RCTANQXXEDGIOF-UHFFFAOYSA-N 279.428 3.536 30 20 CHED C=C(CC)CNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 456815882 ZNWMQZOAWZRLAE-LLVKDONJSA-N 285.309 3.891 30 20 CHED C=CCN(C(=O)c1cc(Cl)ccc1OC(C)C)C1CC1 541595712 WWGYQNAAPFPHLT-UHFFFAOYSA-N 293.794 3.918 30 20 CHED C=C(C)CCNC(=O)N(C)Cc1cccc2ccccc12 455309541 LDEPYQGZPVTJKV-UHFFFAOYSA-N 282.387 3.947 30 20 CHED CCN(CC1(C#N)CCC1)[C@@H](C)c1cccc(OC)c1 450283585 KCEHAGCXQRQZHM-AWEZNQCLSA-N 272.392 3.772 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](n2cc(C)cn2)C1 378094336 QDQYWOBNDARBNW-INIZCTEOSA-N 291.439 3.716 30 20 CHED C=CCN(C(=O)N[C@H](CC)c1cc(F)ccc1F)C1CC1 271375861 HIRPDKHSDIGLRJ-OAHLLOKOSA-N 294.345 3.776 30 20 CHED C=C(C)Cn1c(N(C)[C@@H](C)C2CCC2)nnc1C(C)(C)C 460767179 FDDUNUDKGMSPMP-ZDUSSCGKSA-N 290.455 3.777 30 20 CHED CCC[C@H](C)N(C)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 462372097 SKWBGTFNAWBDSD-NSHDSACASA-N 298.346 3.639 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)nc2ccc(OC)cc12 466534233 NXXHKNILYFHIMR-CYBMUJFWSA-N 298.386 3.636 30 20 CHED Cc1ccccc1[C@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 461732151 YAYKIHHFBNLRGL-CABCVRRESA-N 292.382 3.848 30 20 CHED CO[C@@]1(C)C[C@@H](Nc2cc(Cl)ccc2C#N)C1(C)C 467018313 HMQHKINIBAEYCW-HIFRSBDPSA-N 278.783 3.827 30 20 CHED C=CCC[C@H](CCC)NCc1nccc(C(F)F)n1 287234532 YKBQXZFFYIHGKF-NSHDSACASA-N 269.339 3.639 30 20 CHED C=CCCN(C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 467300507 DTUBDKWEGKNTBA-HNNXBMFYSA-N 296.414 3.525 30 20 CHED CCc1ccc([C@@H]2CCCN(C[C@H](C#N)CCC#N)C2)cc1 286500132 PQWLANCQOPROKG-PKOBYXMFSA-N 295.430 3.872 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCc2ccccc21 466546949 WSTDDBFKXXXJFW-QAPCUYQASA-N 271.404 3.825 30 20 CHED CCCC[C@H](C)C(=O)Nc1scc(C)c1C#N 288731072 GGWCMKYWIJEOCO-VIFPVBQESA-N 250.367 3.693 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 462605810 IUORNZCHLMPCII-ZIAGYGMSSA-N 270.376 3.523 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)C1 556358145 ZJHDHRWKCRRLTM-SWLSCSKDSA-N 288.366 3.642 30 20 CHED CC[C@H](C)[C@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 464714169 UHRRVKDPYZOJFU-IMJJTQAJSA-N 286.419 3.871 30 20 CHED C=CCCCN[C@H](c1cncc(Br)c1)C1CC1 285016378 ZMFWDZGKLCENHB-AWEZNQCLSA-N 295.224 3.851 30 20 CHED CCCCN(Cc1ccccc1O)[C@@H]1CC[C@H](C#N)C1 294248403 UKGSVPBVUGVDAX-GOEBONIOSA-N 272.392 3.687 30 20 CHED Cc1ccc(CCCSCCO[C@@H](C)C#N)cc1 802750453 ACQGALAYWPNEDE-AWEZNQCLSA-N 263.406 3.590 30 20 CHED CCC(F)(F)CN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 639504420 RHLJXBVKEXNEQY-BQBZGAKWSA-N 299.205 3.704 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C/C(=C/C)CC 804832561 OYFCGQHYPAODFQ-GUTDMRFLSA-N 267.372 3.561 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@H]1OCCc2sccc21 292017921 ZJCCEDQQKPCLDX-YWPYICTPSA-N 265.422 3.695 30 20 CHED CCSc1cccc(F)c1NC(=O)NCCCCC#N 290072694 JHXMYKICCDLBAE-UHFFFAOYSA-N 295.383 3.753 30 20 CHED C#CCOc1ccccc1-c1noc(CC[C@H](C)CC)n1 809395420 IZESXAYAABAEMK-CYBMUJFWSA-N 284.359 3.727 30 20 CHED CCCCCCCCC(=O)OCc1cnc(C)nc1 803285411 VFCQENLHMVMKMI-UHFFFAOYSA-N 264.369 3.579 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCCC1(F)F 390849077 CPYVDIOETXHYMY-LLVKDONJSA-N 295.289 3.704 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H](c3cccnc3)C2)cc1 800220963 FJCFBPROJXJLMH-HKUYNNGSSA-N 291.398 3.769 30 20 CHED N#Cc1sc(N[C@@H]2C[C@H]2c2ccc(F)cc2)nc1Cl 804673868 MCMNQDPGIKYSLB-VHSXEESVSA-N 293.754 3.775 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 476096119 RUHNHWWKKAHZBA-WBMJQRKESA-N 281.359 3.585 30 20 CHED N#Cc1cnc(N2CCC(c3ccccc3F)CC2)c(F)c1 565350273 ILAXWZNITARDKO-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccc(CC)cc2)CC1 474192646 WPVBDAWYQBJUHG-UHFFFAOYSA-N 271.404 3.954 30 20 CHED N#CCCCCCC(=O)n1ccccc1=Nc1ccccc1 808062839 FBRHMDAUJYPQTP-UHFFFAOYSA-N 293.370 3.835 30 20 CHED N#Cc1c(Cl)cccc1NCCCOCC(F)(F)F 562690258 LLRZBIFWXKCZHD-UHFFFAOYSA-N 292.688 3.593 30 20 CHED C=CCOCCCN[C@H](C)c1cccc(OC(C)C)c1 470779563 NLZOWABVEGLPGP-OAHLLOKOSA-N 277.408 3.717 30 20 CHED C[C@@H](C#N)OCCSCc1cc(Cl)ccc1F 802753249 XVRUDEYWIZAPLK-VIFPVBQESA-N 273.760 3.641 30 20 CHED C=CCCCCNC(=O)c1cc(C)nn1C(CC)CC 471716631 NPZKTMBFEJHFGP-UHFFFAOYSA-N 277.412 3.639 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1 563212734 XYTQJHTZGREMHF-JKSUJKDBSA-N 255.361 3.642 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(C2CCC2)c1 291995884 HFHWIZXEAUMOKW-UHFFFAOYSA-N 258.365 3.994 30 20 CHED C=CCCCCNC(=O)Nc1ccc2scnc2c1 473663402 CUNJIBIBKRXYAD-UHFFFAOYSA-N 275.377 3.774 30 20 CHED CCc1ccc([C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)C)cc1 479595352 XYVNUXQPXINTOS-QGZVFWFLSA-N 295.386 3.576 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)CC=C 299222655 XESNUNPSKWNXSO-UHFFFAOYSA-N 282.387 3.675 30 20 CHED C=CCC[C@H](NCCc1cccc(C#N)c1)c1ccco1 569717308 HOKITZRHOLRQAT-KRWDZBQOSA-N 280.371 3.991 30 20 CHED CCCCCCCCC(=O)NC/C=C\c1cccnc1 816738936 RAPWZDJRVDAINB-LUAWRHEFSA-N 274.408 3.962 30 20 CHED C=CC[C@H](C(=O)Nc1cccc2nccn12)c1ccccc1 489011392 LZHJIXJCHOMPSX-HNNXBMFYSA-N 291.354 3.633 30 20 CHED N#Cc1c(F)cccc1/C=C1/CCOc2ccccc2C1=O 811689568 GZZVFCQARFPYBL-RAXLEYEMSA-N 293.297 3.746 30 20 CHED CC/C(C)=C(\C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 819736333 HXMKPOQLZTYVSF-XTZCOPOCSA-N 270.376 3.824 30 20 CHED C=CCCCCOC(=O)[C@@H](C)Cc1cnc2ccccc2n1 816089099 ICYACZAMTFYMFV-AWEZNQCLSA-N 298.386 3.708 30 20 CHED CCCCCCCC(=O)OCCc1cncs1 811120624 SNBIJSOIJYTUJN-UHFFFAOYSA-N 255.383 3.589 30 20 CHED C#C[C@@H](NC(=O)CCC(C)(F)F)c1ccc(Cl)cc1 811949676 LJGPRZGQCBYEDK-GFCCVEGCSA-N 285.721 3.566 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2ccc(C#N)nc2)c1 579298811 UBZRDFDRCIENRO-CQSZACIVSA-N 265.360 3.613 30 20 CHED C[C@@H](Sc1cc(C#N)ncn1)c1ccc(Cl)cc1 575859861 AMHFESHLEVPNIE-SECBINFHSA-N 275.764 3.855 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1(Cc2ccc(F)cc2)CC1 488838922 MUIZWSNNVFFGDL-MRXNPFEDSA-N 287.378 3.716 30 20 CHED CC(C)Oc1cc(Br)cc(NCCC#N)c1 574445685 AEGXILDDNQOACQ-UHFFFAOYSA-N 283.169 3.562 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)C1CCC(c2ccccc2)CC1 484897826 AHLJZIHHTATVKW-RJYAGPCLSA-N 296.414 3.769 30 20 CHED COCC(=NNc1ccc(C)cn1)c1cccc(Cl)c1 814831531 GBISFUAHLJPNDT-UHFFFAOYSA-N 289.766 3.506 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccccc1OCC1CC1 488845233 YPQYJVQRUPDYNS-OAHLLOKOSA-N 285.387 3.656 30 20 CHED CCC(=NOCc1ccc(F)cc1)c1cccc(N)c1 814903739 YLSZDRJNYQXZEM-UHFFFAOYSA-N 272.323 3.739 30 20 CHED CO[C@@H](C(C)=NOC/C=C\Cl)c1ccccc1 811668000 IWEFFTGIIAYBFV-FKMRMNLESA-N 253.729 3.519 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1csc(C)n1 726426850 JYSXRQPXTRBGBT-UHFFFAOYSA-N 297.330 3.889 30 20 CHED C[C@@H](OC(=O)c1cc2ccccc2[nH]1)c1cccc(C#N)c1 727640980 XSSDOOYUUHNHPH-GFCCVEGCSA-N 290.322 3.958 30 20 CHED C=CCC1(NCc2ccc3nc(C)ccc3c2)CCOCC1 657633280 LHKBQOJVEKPFHH-UHFFFAOYSA-N 296.414 3.758 30 20 CHED CC#CCN(C)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 570999822 RCQDRHQLLDYVPT-LLVKDONJSA-N 298.213 3.654 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1cccc(Cl)c1F 576992296 ZHZWPIRIQIWDQV-LBPRGKRZSA-N 281.758 3.589 30 20 CHED Cc1nsc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)c1C#N 587981524 ZLIZAPUGPJUXRA-YPMHNXCESA-N 293.436 3.576 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccccc1F 664469558 KDCMOIGNCHNLDN-UHFFFAOYSA-N 250.317 3.692 30 20 CHED C[C@H](CSc1ccccc1C#N)NC(=O)OC(C)(C)C 492609619 PUOPPUZOXXDWHG-LLVKDONJSA-N 292.404 3.564 30 20 CHED C=CCCCN1CCC(Oc2cncc(Cl)c2)CC1 582309748 NNWQXIIHWGHPJP-UHFFFAOYSA-N 280.799 3.544 30 20 CHED Cc1ccc(Cl)cc1NN=C1C[C@@H](C)n2ccnc21 901317269 JOLHSLXMWPCFTE-SNVBAGLBSA-N 274.755 3.626 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1c(F)cccc1F 494729604 OCOKSGLGNKNKDP-NWDGAFQWSA-N 294.345 3.776 30 20 CHED COc1cccc(NN=C(C)c2ccc(OC)cc2F)c1 725853716 RUPMSCZTWJCYOQ-UHFFFAOYSA-N 288.322 3.679 30 20 CHED Cc1ccc(CCC(=O)N[C@](C)(C#N)C(C)(C)C)c(C)c1 499471627 BEUNZTUKQZRUHU-GOSISDBHSA-N 286.419 3.681 30 20 CHED C#CCOc1cccc(OCc2cccc(F)c2F)c1 730439295 FNIOKPHNSQHHFR-UHFFFAOYSA-N 274.266 3.556 30 20 CHED Cc1ccc(C(=O)/C=C\c2nccn2-c2ccccc2)o1 588580969 ZTJGZYXWOSWPKG-NTMALXAHSA-N 278.311 3.670 30 20 CHED C=CCc1cc(OCC)cc(CN(CC)C2CCC2)c1O 738053025 JXCNTXKZPCFJOI-UHFFFAOYSA-N 289.419 3.894 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)Cc1ccc(C)s1 737440188 FEUHNVMPFSHXGW-VBYYMIJXSA-N 289.400 3.821 30 20 CHED Cc1cc(NN=C2CCC[C@@H]2Cc2ccccc2)ncn1 735614903 HGGMTGZJLCQHKS-OAHLLOKOSA-N 280.375 3.596 30 20 CHED C[C@@H](CNc1ccc(Cl)c(C#N)n1)C(C)(C)C 734480918 XRGIDRWCFZLGLR-VIFPVBQESA-N 251.761 3.701 30 20 CHED C=CCCC[C@H](NCc1ccc2ccccc2c1)C(=O)O 900067736 NCRYMEXLGGICFM-KRWDZBQOSA-N 283.371 3.739 30 20 CHED CCn1cc(/C=C2\Oc3c(cccc3C(C)(C)C)C2=O)cn1 732529979 FWUMLVKSNLLMLS-DHDCSXOGSA-N 296.370 3.817 30 20 CHED N#Cc1ccc([C@H](Sc2ccc(F)cc2)C(=O)O)cc1 739116654 BNTMGZUNKTVGDN-AWEZNQCLSA-N 287.315 3.615 30 20 CHED C=CCC[C@@H](NC[C@@H](C(C)C)N1CCCC1)c1ccco1 583515641 LNGJMXBQROPCEZ-SJORKVTESA-N 290.451 3.997 30 20 CHED C=C1CCC(c2nc(-c3cccc(OC)c3)no2)CC1 904601862 WMTVTRMYERNPDL-UHFFFAOYSA-N 270.332 3.959 30 20 CHED C=CC[C@H](NC(=O)NCC1(C)CCCC1)c1ccncc1 734668883 MOPPHEUSZYHHQU-HNNXBMFYSA-N 287.407 3.578 30 20 CHED CCC(=NNc1nnc(-c2ccccn2)s1)C1CCC1 834973545 OVUVXEGGBPFPFB-UHFFFAOYSA-N 287.392 3.578 30 20 CHED CCc1ccc([C@@H]2CCCCCN2C(=O)C#CC2CC2)o1 837432908 ZBEBLVUCHHOJMW-INIZCTEOSA-N 285.387 3.699 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(Cl)cc(Cl)n2)C1 839449750 OTSOSFLEUNWJRC-PSASIEDQSA-N 299.157 3.628 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc3c(c2)CCO3)c1 834875028 RVVYIWPQCIBYDW-ALCCZGGFSA-N 280.323 3.526 30 20 CHED C#CCCCC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 837258193 JMPIIDWXRSDZPG-SFHVURJKSA-N 281.399 3.934 30 20 CHED CCCCCCCC(=O)Nc1ccn(-c2ccncc2)n1 733769586 IWVVIDQDEGOENE-UHFFFAOYSA-N 286.379 3.566 30 20 CHED CC[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(C#N)c1 902895461 ZKWQACFGSCEKHT-XDNAFOTISA-N 296.414 3.557 30 20 CHED N#CC1(COC(=O)[C@@H]2CC23CCSCC3)CCCCC1 835282518 SKBPCDKFGNJQLG-ZDUSSCGKSA-N 293.432 3.537 30 20 CHED CC(C)(C)c1ccccc1NC(=O)c1cccc(C#N)n1 589740464 ZJSYGDLSHOKUAH-UHFFFAOYSA-N 279.343 3.503 30 20 CHED CCCCC(CC)=NNc1cnc2ccccc2n1 732925083 QTUVNQLFSVLDSL-UHFFFAOYSA-N 256.353 3.998 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@H](c2cccnc2)C1 580322454 PCROSLOWNLYCDH-MRXNPFEDSA-N 271.408 3.591 30 20 CHED C[C@@]1(CC(=O)Nc2sccc2C#N)CC1(Cl)Cl 839214816 DEPJZNHFLUNZDO-SNVBAGLBSA-N 289.187 3.532 30 20 CHED C/C=C(/CC)C(=O)Nc1cc(C#N)ccc1NCCC 588575035 GZJSXUDXMYNRQP-ACAGNQJTSA-N 271.364 3.675 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 837576835 WCRRULCMOKXNPS-IAGOWNOFSA-N 283.415 3.879 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H]2CC(C)(C)OC2(C)C)c1 588393598 HFYPIMRYWMOFID-GZQZNAIASA-N 291.391 3.556 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1cnccn1 915959686 VQSZJLFGVIYUGG-UHFFFAOYSA-N 268.364 3.632 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1sccc1C 733743182 IQMOWYUHXKOKJT-UHFFFAOYSA-N 274.345 3.591 30 20 CHED CC(CCCc1cccnc1)=NNCc1ccccc1F 835010456 BKVBLMBFMROQDX-UHFFFAOYSA-N 285.366 3.709 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CCC(F)(F)C1)c1ccccc1 677573334 MEJLYKAXDIDCLI-TZMCWYRMSA-N 279.330 3.650 30 20 CHED CC(=NNC(=S)Nc1cc(C)ccc1F)C1CCCC1 733076328 MJAZSFJBTDXCGV-UHFFFAOYSA-N 293.411 3.987 30 20 CHED C#CC[C@@H](NC(=O)C1CCC2(CC1)CC2)c1ccccc1 831232325 SCQBUMRMXPUHAQ-QGZVFWFLSA-N 281.399 3.838 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OC=C)cc1 839159459 MIIKETUKAYYRTR-LBPRGKRZSA-N 260.337 3.685 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2CCCc3sccc32)C1 839054232 LBHVLAUWHCGLJP-MBNYWOFBSA-N 289.400 3.794 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 597351045 NTNBNALWTQOZHE-ULQDDVLXSA-N 298.430 3.700 30 20 CHED C#C[C@@H](OC(=O)[C@H]1CC12CCCC2)c1ccc(F)cc1 842411624 LOSWRENWLLOMMQ-HUUCEWRRSA-N 272.319 3.624 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2[C@@H](C)c1ccc(C#N)cc1 595857571 LKRMQQDXLGUWLK-IFWAZGHOSA-N 254.377 3.882 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C)cc1C 917502710 SBCKGCBJRAWLTO-GOSISDBHSA-N 290.366 3.503 30 20 CHED C=C(Cl)COC(=O)c1ccc(SC(F)F)cc1 842225484 WMHXSWNTXZCSPH-UHFFFAOYSA-N 278.707 3.911 30 20 CHED C=CCOc1ccc(OC(=O)CC2(CSC)CC2)cc1 844410887 AAULUTMNJJGVQP-UHFFFAOYSA-N 292.400 3.690 30 20 CHED Cc1nc(Cl)cc(NN=C/C=C\c2ccccc2)n1 741763747 FSKAAYJECLELOA-AWBNOKMOSA-N 272.739 3.550 30 20 CHED C=CCN(C(=O)Nc1cccc2c1CCCC2)C(C)C 916706343 XSUALUAQSPEZSF-UHFFFAOYSA-N 272.392 3.994 30 20 CHED CCCOc1ccc(CN2CCC[C@H](CC#N)C2)c(C)c1 597177016 LOYSUJMKRABMCL-MRXNPFEDSA-N 286.419 3.910 30 20 CHED CCOc1ccc(/C=N/CC(C)(C)c2cccnc2)c(O)c1 840712788 LPNJHEASSHZYTP-RGVLZGJSSA-N 298.386 3.583 30 20 CHED Cc1cccc2c(CC/N=C\c3cccc(O)c3O)c[nH]c12 741466484 TUFKXOOFFSOPLN-GRSHGNNSSA-N 294.354 3.549 30 20 CHED COc1cc(Cl)c(F)c(C(=O)OCCC(C)(C)C#N)c1 840614325 WKBDZERXDSJESM-UHFFFAOYSA-N 299.729 3.584 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccccc2Cl)c1 916269083 QFMNWWDIFGUTQA-UHFFFAOYSA-N 275.695 3.694 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593967775 YRGUGFXEIZWTIR-IIDMSEBBSA-N 298.430 3.679 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C)cc1SC 841726773 LVCKICSVHDBFBT-UHFFFAOYSA-N 270.785 3.591 30 20 CHED Cc1cc(C=NNc2ncc(Cl)cc2Cl)c(C)[nH]1 917568324 CXOCEIQPUDSGQE-UHFFFAOYSA-N 283.162 3.779 30 20 CHED CCC(CC)(C/N=C/c1c(O)cccc1OC)SC 743044627 NHSGSYAOSJGFHD-MHWRWJLKSA-N 281.421 3.742 30 20 CHED N#CC1(CCOC(=O)[C@H]2CC=CCC2)CCCCC1 840063597 KLNNNSMXAWWUQB-AWEZNQCLSA-N 261.365 3.750 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cc(C)oc1C 915962290 PHRLKALNXYTRGD-UHFFFAOYSA-N 253.305 3.604 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cc(F)ccc2OC(F)F)C1 595094003 RUDWJGCMAJJPSO-MFKMUULPSA-N 298.308 3.599 30 20 CHED C(=NNc1ncccn1)c1ccc(-c2ccccc2)cc1 912973128 IKVFLCUUWXNLDD-UHFFFAOYSA-N 274.327 3.590 30 20 CHED C=CCN(C(=S)Nc1ccc2c(c1)CCC2)C(C)C 919716921 KWESLBDSRWYJHV-UHFFFAOYSA-N 274.433 3.769 30 20 CHED C=CCCCC(=O)N1CC=C(c2ccc(C)cc2)CC1 748287136 HUVXBOFETNNJHO-UHFFFAOYSA-N 269.388 3.967 30 20 CHED C=CCN(C(=O)CSCCCC)c1ccccc1 747823937 HFOGPPMFFOKVFV-UHFFFAOYSA-N 263.406 3.739 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)cc1 849242314 DEPGTJXJEFVQIM-JXMROGBWSA-N 296.370 3.588 30 20 CHED CC[C@](C)(C/N=C/c1cc(Cl)cc(Cl)c1O)OC 840706425 IEHCAPMEBYSQIJ-DFWYYUMKSA-N 290.190 3.933 30 20 CHED FC(F)CON=C1CCN(C2CC2)[C@H](c2ccccc2)C1 841633365 VORPOLGPNUPESB-HNNXBMFYSA-N 294.345 3.624 30 20 CHED N#C[C@H](OC(=O)CC1(C#N)CCCCC1)C1CCCCC1 849907242 YQTFSMIDJGEGCS-HNNXBMFYSA-N 288.391 3.866 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(C#N)s2)c1 748997962 MLTNSIYSBWOMOO-HJWRWDBZSA-N 283.352 3.915 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2ccccc2C(F)F)C1 591869650 UDLXMRSVZFUTCX-OAHLLOKOSA-N 293.317 3.782 30 20 CHED CC[C@@H](NC(=O)CC1(C#N)CCCCC1)[C@H]1CC1(C)C 597783352 JJYGWBKQOXRDMC-ZIAGYGMSSA-N 276.424 3.791 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(F)cc1C 596645195 APZHTNFADJJDFL-UHFFFAOYSA-N 282.384 3.565 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(-c2ccccc2)cc1F 746120504 LMUITCQEHJKING-LLVKDONJSA-N 268.291 3.591 30 20 CHED COCCCCCON=Cc1ccccc1OC(C)C 742351947 IQIFBKCCZYOIPM-UHFFFAOYSA-N 279.380 3.641 30 20 CHED Cc1nc2ccccc2n1CCCN[C@@H](C)CC(C)(C)C#N 924552493 MTSCTZIUCYGMCI-AWEZNQCLSA-N 298.434 3.653 30 20 CHED CCOc1cccc(/C=N\C2CCCCCC2)c1O 920942786 DMOFYDJYLPNGBU-ATVHPVEESA-N 261.365 3.933 30 20 CHED C[C@H]1CC[C@@H](CC(=O)OCc2ccc(F)c(C#N)c2)C1 759426958 VFDOZLLBXAEGFO-NWDGAFQWSA-N 275.323 3.567 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)C(=O)OCC1(CC#N)CC1 756568854 XQWYHAOASHPUPU-LBPRGKRZSA-N 291.778 3.756 30 20 CHED C=CC[C@H](NC(=O)N(CC)[C@@H](C)CC)c1ccncc1 853746204 GKSZRKXJXBUFNY-ZFWWWQNUSA-N 275.396 3.529 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCOc1ccccc1 920944522 NOKVHYVJVUFXIO-BOPFTXTBSA-N 275.735 3.544 30 20 CHED C#CCCCC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 757916441 WDOXMWDANAUGJF-UHFFFAOYSA-N 282.343 3.700 30 20 CHED O=C(/C=C\c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] 752876316 XRHFVHTWULJIKX-TWGQIWQCSA-N 271.247 3.630 30 20 CHED C#CC[C@@H](NC(=O)N1CCC(CC)(CC)C1)c1ccccc1 757066262 ZTPPYJMKDYATPJ-QGZVFWFLSA-N 298.430 3.973 30 20 CHED COc1ccc(NN=Cc2cn(C)c3ccccc23)cc1 755802287 TVGTVKZTJWIXJX-UHFFFAOYSA-N 279.343 3.633 30 20 CHED CC1CCC(=CC(=O)N(C)c2ccccc2C#N)CC1 752819795 PIQXGLNYVPMTCF-UHFFFAOYSA-N 268.360 3.658 30 20 CHED CCCCCCCCC(=O)OCc1nccc(C)n1 756173775 GLUGTRVLHDOTJI-UHFFFAOYSA-N 264.369 3.579 30 20 CHED CCC(CC)=NNc1nc(C(F)(F)F)cs1 755903115 FUEUBJUHQJQADX-UHFFFAOYSA-N 251.277 3.750 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 753413539 LMMKVOFTIVXKHG-AWEZNQCLSA-N 297.310 3.608 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1ccn(C(F)F)n1 851145647 YJMJIPVUNXDACG-CMPLNLGQSA-N 284.306 3.570 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCCC2CCC2)cc1 853649211 ZVEXNQHRKJXKKJ-UHFFFAOYSA-N 274.364 3.576 30 20 CHED C#CCCCCCC(=O)OC[C@@H](OC)c1ccc(F)cc1 859629457 AJHHIKNXTNYGMJ-MRXNPFEDSA-N 292.350 3.640 30 20 CHED CSc1ccc2c(c1)CCCC2=NOCC(F)F 758911319 MSSQVADYZNWSCR-UHFFFAOYSA-N 271.332 3.731 30 20 CHED CC(CC1CCCC1)=NNCc1ccc(C#N)cc1 752735303 NCZUEOQKHJDXEQ-UHFFFAOYSA-N 255.365 3.604 30 20 CHED C=CCCN(C)C(=O)c1ccc(CC(C)C)s1 935573658 QXDOSKYZWCSGBQ-UHFFFAOYSA-N 251.395 3.595 30 20 CHED C#Cc1cccc(NC(=O)c2cc(Cl)cs2)c1 757819973 UXOUFLXNBQWOMB-UHFFFAOYSA-N 261.733 3.635 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CC[C@@H](CO)C1 759701160 LPTSTAAJWSOWIV-BLIJAFNYSA-N 281.440 3.524 30 20 CHED C[C@@H]1CCCCN1N=C1CCC[C@H](c2cccnc2)C1 853381900 OIFACFZAJCTBEL-CABCVRRESA-N 271.408 3.970 30 20 CHED COc1ccc2cc(NC[C@@H](O)CC(C)(C)C#N)ccc2c1 857243258 YTBWDQGYKVXQQX-INIZCTEOSA-N 298.386 3.561 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CC(C)(C)c1ccc(F)cc1 864904908 RACXGAPGJUHXQE-CYBMUJFWSA-N 290.382 3.502 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@](C)(CC)C(F)(F)F)C1 933518072 ZFGYHJYBOZDHJH-WCQYABFASA-N 292.345 3.715 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@@H](CCC)c1cccc(Cl)c1 861340123 GVMYRZCSIVGGLM-DOMZBBRYSA-N 277.795 3.704 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)c1nnc(C)o1 769212494 RQBGNEHYAJKVKH-GFCCVEGCSA-N 281.400 3.696 30 20 CHED Cc1cc(/C=C2\Cc3c(C)cccc3C2=O)ccc1C#N 766488925 AHTRXFPVHKFDRP-CXUHLZMHSA-N 273.335 3.998 30 20 CHED CCON=C1CCCc2ccc(Br)cc21 769571112 ZOFCRCKFKDLDHS-UHFFFAOYSA-N 268.154 3.526 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1nc(Cl)sc1C 762902837 YSQRTRSYYKIQNP-MRVPVSSYSA-N 272.801 3.580 30 20 CHED N#CC1(COC(=O)c2cc3c(F)cccc3s2)CCC1 768105896 SNRKYBFLPLIGNX-UHFFFAOYSA-N 289.331 3.891 30 20 CHED C#CCCn1c(COc2ccccc2)nc2ccccc21 760343958 WMSOBUZFWUWTPQ-UHFFFAOYSA-N 276.339 3.639 30 20 CHED CC#CCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767880979 DTOBTPLCKSQUSL-CYBMUJFWSA-N 267.294 3.518 30 20 CHED CC(=NNCCOC(C)C)c1ccc(OC(C)(C)C)cc1 764908459 UAFGBKPMKYKGOY-UHFFFAOYSA-N 292.423 3.603 30 20 CHED CCOc1ccccc1/C=C1\CCc2scnc2C1=O 863197393 QHLYHTVWDOVTPF-FMIVXFBMSA-N 285.368 3.754 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccc2c(c1)ncn2C 761202070 ZJRDTAHXGPFWDU-YWEYNIOJSA-N 294.329 3.917 30 20 CHED N#Cc1cccc(NN=Cc2ccc(N3CCCCC3)o2)c1 767364176 XBGWGERLZNMZLZ-UHFFFAOYSA-N 294.358 3.588 30 20 CHED CCC(C#N)(CC)C(=O)OCC1(c2ccccc2)CC1 860673439 MACOHISRCLXECF-UHFFFAOYSA-N 271.360 3.591 30 20 CHED CCc1ccc(C=NNc2cc(C#N)cc(Cl)n2)s1 768372469 AINAOZTZTHFSNS-UHFFFAOYSA-N 290.779 3.677 30 20 CHED Cc1ccc([C@@H](C)N(C)c2cccc(CC#N)n2)c(C)c1 1116636518 OOUBTYUZCCUBQR-OAHLLOKOSA-N 279.387 3.962 30 20 CHED C[C@@H](C=NNc1nccnc1Cl)c1cccc(Cl)c1 763362173 ATWNQYUKKYPTQR-VIFPVBQESA-N 295.173 3.985 30 20 CHED C=CC[C@H]1N(C(=O)c2cccnc2Cl)CCCC1(C)C 767218908 MOHBPFUNSPYWLA-CYBMUJFWSA-N 292.810 3.942 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(C#N)s1 762453706 VULDQBSHLCDEDT-UHFFFAOYSA-N 273.336 3.903 30 20 CHED C#CCCCCC(=O)Nc1ncc(Cl)cc1Cl 875086582 WRAKVHODSVFXTB-UHFFFAOYSA-N 271.147 3.521 30 20 CHED C#CCCCCCC(=O)Nc1cc(F)c(F)c(F)c1F 871269706 TXDDGZUABCPXIV-UHFFFAOYSA-N 287.256 3.765 30 20 CHED C[C@@H]1CCC[C@H](C(=O)O[C@H](C#N)C2CCCCC2)C1 776390811 ZFEIUGUEKXPZOX-VHDGCEQUSA-N 263.381 3.828 30 20 CHED C[C@H](C#N)CNN=Cc1ccc(-c2ccc(Cl)cc2)o1 771108916 VWAGQYLILNDCTN-LLVKDONJSA-N 287.750 3.683 30 20 CHED Fc1cc2nc(NN=C3CC4(CCC4)C3)[nH]c2cc1F 772841905 VFUUAFLWVZLEAD-UHFFFAOYSA-N 276.290 3.573 30 20 CHED C#CCCCCCC(=O)Nc1nc(-c2cccnc2)cs1 779724655 AFBVJNSYOYSEJA-UHFFFAOYSA-N 299.399 3.727 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(C#N)c(F)c1 776729074 PCHXOBHIVABRAS-HJWRWDBZSA-N 281.286 3.602 30 20 CHED N#Cc1c(F)cccc1C(=O)O[C@H]1CCc2ccccc21 778615491 VQJCRACCZYAGSR-INIZCTEOSA-N 281.286 3.542 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cccc(Br)c1O 775152506 NHZDXKUMDSEOTM-GHMZBOCLSA-N 298.224 3.845 30 20 CHED CCC1(CC)C(=NNc2cc(Cl)ccn2)C[C@H]1OC 777906137 SPPNUQFMCPYTOE-GFCCVEGCSA-N 281.787 3.728 30 20 CHED C#C[C@H](C)NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 775385457 HWPHBLJCFBFCBS-JTQLQIEISA-N 298.773 3.517 30 20 CHED C=CCC[C@@H](C(=O)O[C@@H](C)c1cnccn1)c1ccccc1 778622070 NRWUHFCYLMANBK-GOEBONIOSA-N 296.370 3.831 30 20 CHED Cc1ccsc1C(Cc1ccccc1)=NNC[C@@H](C)C#N 771113009 REKZSSCRZYDWIC-ZDUSSCGKSA-N 297.427 3.753 30 20 CHED O=C1Nc2ccccc2C12CCC(=NOC1CCCC1)CC2 774604717 ZYZUITFKJBHJIP-UHFFFAOYSA-N 298.386 3.766 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C1(F)CCCC1 772779033 IKYTZGONLYKGOL-UHFFFAOYSA-N 289.350 3.813 30 20 CHED C=C(C)CCC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 1122953837 QPMNOOVLWCLTTO-NSHDSACASA-N 282.265 3.633 30 20 CHED c1ccc(C2CCC(=NOC3CCOCC3)CC2)cc1 774432169 MVGOYJLXWFCSSI-UHFFFAOYSA-N 273.376 3.896 30 20 CHED CCN(C(=O)c1cccc(F)c1C)c1ccc(C#N)cc1 1126352572 AUOLLYSHSRGEOB-UHFFFAOYSA-N 282.318 3.673 30 20 CHED CCc1cnccc1C(=O)/C=C\c1sccc1C 776192681 SJVMHZCXDVCHKX-PLNGDYQASA-N 257.358 3.910 30 20 CHED O=Cc1ccc(OCC#Cc2ccc(F)cc2)c(Cl)c1 771146451 LAWHKNVHWADXEE-UHFFFAOYSA-N 288.705 3.722 30 20 CHED C=C1CCC(C(=O)N2CCC(Oc3ccccc3)CC2)CC1 1120572104 YRYBHSIEKXISRG-UHFFFAOYSA-N 299.414 3.803 30 20 CHED Cc1ccc2nc(/C=C3/Cc4ccc(F)cc4C3=O)cn2c1 789142226 IRIFXYVEXGJDSN-QPEQYQDCSA-N 292.313 3.604 30 20 CHED C[C@@H](CC#N)N(C)Cc1coc(-c2ccc(Cl)cc2)n1 268280806 FWNLPKMSSPLBPZ-NSHDSACASA-N 289.766 3.729 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1cc(F)ccc1O 782348594 SZVWHYOZGFKAJZ-GORDUTHDSA-N 293.297 3.976 30 20 CHED Cc1cccc2c1OCC[C@H]2OC(=O)C1(C#N)CCCCC1 789497919 NLKUTZQFBZRILW-OAHLLOKOSA-N 299.370 3.836 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1cccc(CC#N)c1 1128982731 PSQLTHDREOISDG-UHFFFAOYSA-N 282.318 3.761 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1Cl 788437732 CUEBMOPPAVLHFR-RBOXIYTFSA-N 287.794 3.714 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1nc(C2CC2)cs1 784696812 GIPVTAOQSAKNDJ-VIFPVBQESA-N 278.377 3.565 30 20 CHED C/C(C=NOCC(F)(F)F)=C/c1cccc([N+](=O)[O-])c1 787161426 CCJRAQWIYMLGOA-MPXTWWHISA-N 288.225 3.563 30 20 CHED CCCCCCCC(=O)OCc1nnc(CC)s1 785186859 YOVPZJBSZOZOPH-UHFFFAOYSA-N 270.398 3.504 30 20 CHED C=C1CCC(C(=O)N2Cc3cc(F)c(F)cc3C2)CC1 892586933 HOWJNUSKGSRLRH-UHFFFAOYSA-N 277.314 3.553 30 20 CHED C=CC1(OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)CC1 893364778 DEVQOQZSYPYDPM-UHFFFAOYSA-N 297.354 3.844 30 20 CHED C#CCSc1ncc(-c2ccccc2)n1CC(F)(F)F 789914591 BVFVBPNFDHLMTF-UHFFFAOYSA-N 296.317 3.838 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2CCC=CO2)c1 780621767 GQYQVYLQVQJSHD-NSHDSACASA-N 282.265 3.682 30 20 CHED COc1ccc(NN=Cc2cc3ccccc3[nH]2)cc1 788438093 YLLLYDSQSZVJGU-UHFFFAOYSA-N 265.316 3.623 30 20 CHED C=C1CN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)C1 898692422 QWNRLICCYSYDGJ-UHFFFAOYSA-N 298.411 3.946 30 20 CHED Cc1cc(C=NNc2cccc3c2CCCC3)sn1 785453667 REPYSGOTMOUUAZ-UHFFFAOYSA-N 271.389 3.776 30 20 CHED CCC(C#N)(CC)c1nc(-c2cc(C)cc(OC)c2)no1 897066577 XYNBCOBYEISCAV-UHFFFAOYSA-N 285.347 3.635 30 20 CHED CCOc1ccc(Cl)cc1CN1CCC[C@@H](CC#N)C1 1139009517 OMCWNZZUKGETMT-ZDUSSCGKSA-N 292.810 3.864 30 20 CHED CC(C)(C#N)COC(=O)c1occc1-c1ccccc1 781476389 CISVCNHKZSTWLE-UHFFFAOYSA-N 269.300 3.653 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C[C@H](C)OC)c1 782480536 CTFPGSAEIJPBLF-AWEZNQCLSA-N 285.412 3.771 30 20 CHED CC1(C)CCC[C@H](C=NNCCC(F)(F)F)C1 794552067 KILATUBWLUGROO-JTQLQIEISA-N 250.308 3.731 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@H](C)CCC=C(C)C)CC1 899595313 OOLXOEVMFRKMPG-MRXNPFEDSA-N 293.451 3.689 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cscn1 799493522 FMKORTYOGMAWNQ-UHFFFAOYSA-N 259.378 3.850 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1c1cc(C)ccc1C 791058044 ALYBHDXYTZRTCS-AEFFLSMTSA-N 298.430 3.952 30 20 CHED C=CCCC[C@H](C)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 398131633 VWNQTOBZLOOHHG-GJZGRUSLSA-N 296.455 3.720 30 20 CHED Cc1cc(C)c(NN=C2CCC23CCOCC3)c(C)c1 799881844 UGYJRCGNYBGYEE-UHFFFAOYSA-N 272.392 3.970 30 20 CHED C#C[C@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(C)C 799045890 WDWUBPDTEDHGQF-RISCZKNCSA-N 297.320 3.583 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(C)C 799047443 ZPNBUPXQDKOTOY-ZWNOBZJWSA-N 298.213 3.871 30 20 CHED COC(=O)c1csc(C(=O)/C=C\c2ccc(F)cc2)c1 794725223 WVJPAGYFXASDML-DAXSKMNVSA-N 290.315 3.570 30 20 CHED CSc1ccc(C=NNc2ncccc2C)cc1 790194334 YXMMWUOJRXNGCG-UHFFFAOYSA-N 257.362 3.558 30 20 CHED COC(=O)c1occc1/C=C/C(=O)c1cc(C)sc1C 797109349 LVYXUMPKWDFZCN-SNAWJCMRSA-N 290.340 3.641 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)[C@H](C)c1ccccc1Cl 791059564 RLRRTXPHGWEDOB-OLZOCXBDSA-N 292.810 3.844 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 793074372 GNSQZIOVIVQJNA-IAGOWNOFSA-N 298.430 3.604 30 20 CHED CCCCCCCC[S@@](=O)c1ccc(O)cc1 790202742 XMUQFSVCEMCORA-QGZVFWFLSA-N 254.395 3.860 30 20 CHED C#CCCN[C@H](CCOC)c1ccc(Cl)c(Cl)c1 792925137 ISJMNFMEHQMXMK-CQSZACIVSA-N 286.202 3.684 30 20 CHED Fc1cc(NN=C2CCC23CCC3)cc(F)c1F 799880963 GQPURTAZQAQNEA-UHFFFAOYSA-N 254.255 3.836 30 20 CHED CC[C@H](C)NN=C(C)c1cc2cccc(OC)c2o1 790190225 UCSKNOOVPLADRM-JTQLQIEISA-N 260.337 3.554 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1CCN(CC2CC2)C1 793541449 NIWSQDHGYHFBDY-NVXWUHKLSA-N 264.457 3.585 30 20 CHED Cc1ccc2ccccc2c1CN1CCC[C@H](C#N)C1 1142384003 VOCPMSFNVBSODF-OAHLLOKOSA-N 264.372 3.884 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(F)cc1C 783878276 OVNYXZVQTQNJFS-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCN(Cc1ccc(C#N)cc1C)c1ccccc1OC 1167984672 VQPZTQYIDONKHU-UHFFFAOYSA-N 280.371 3.902 30 20 CHED C=CCn1cnnc1S[C@H](C)c1cc(F)ccc1F 1319301558 WMZZXYLNZHHKCZ-SECBINFHSA-N 281.331 3.596 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C\c1nccs1 1338929514 DEICAIZXARMYMB-HJWRWDBZSA-N 298.411 3.761 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccnn1C1CCCC1 1336238630 QKQUDEORYQEDGZ-CQSZACIVSA-N 287.407 3.569 30 20 CHED CC1(C#N)CN(CC2CCC(c3ccccc3)CC2)C1 1193943453 YNEJZFJTBANETO-UHFFFAOYSA-N 268.404 3.806 30 20 CHED C=C(CC)C(=O)Nc1ccc(F)cc1OC(C)C 1348211369 ADGKBQMIFDRJSD-UHFFFAOYSA-N 251.301 3.518 30 20 CHED CCN(C(=O)c1occ(C)c1C)[C@H](C)c1ccc(C#N)cc1 1342345683 BZZFHVITTDDPCF-CQSZACIVSA-N 296.370 3.991 30 20 CHED CC[C@@H](C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1342636223 DKJQGURDDRRRQJ-KGLIPLIRSA-N 282.318 3.591 30 20 CHED CCCCC[C@H](C)CC(=O)[C@H](C#N)c1nccn1CC 1344325675 BRAQJLIPIPXNNY-KBPBESRZSA-N 275.396 3.686 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cc3c(F)cccc3s2)C1 1357612529 XSTOOVNQAJAIBY-ZJUUUORDSA-N 289.331 3.889 30 20 CHED CSc1cccc(N(C)C(=O)c2csc(C#N)c2)c1 1360141769 NKHWOPBSAGXTMC-UHFFFAOYSA-N 288.397 3.618 30 20 CHED C=C(Cl)CSCc1ccc(OC)cc1OC 1459240434 IKRBNEMSOBOIFN-UHFFFAOYSA-N 258.770 3.690 30 20 CHED C#CC[C@H](CC)c1nnc(N2CCC(C)=C(C)C2)n1CC=C 1520648589 BDWFXCKBCGUTLU-INIZCTEOSA-N 298.434 3.528 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(COC)cc1 1520259329 ZILMVHLPIXPMTA-MRXNPFEDSA-N 288.391 3.796 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1457764215 UBIMSBYSNMWIAG-XPKDYRNWSA-N 271.360 3.989 30 20 CHED CC(C)CN(Cc1occc1C(=O)O)c1ccc(C#N)cc1 1603815052 RMNURJBCHSRHEJ-UHFFFAOYSA-N 298.342 3.512 30 20 CHED N#Cc1cc(F)ccc1CN1CCCc2cccc(F)c21 1616232243 XAKFHTXVAZKSPV-UHFFFAOYSA-N 284.309 3.789 30 20 CHED Cc1cc(N[C@H](C)c2cccc(F)c2F)ncc1C#N 1612158128 MWMRRPUTDVTISC-SNVBAGLBSA-N 273.286 3.713 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)Nc1cc(F)cc(C#N)c1 1626924923 DVZDCOOPVCKLSD-OAHLLOKOSA-N 289.354 3.740 30 20 CHED CC[C@H](CN(CC)Cc1cc(C#N)ccn1)c1ccccc1 1645352097 PZEZEVAUQZNLEF-QGZVFWFLSA-N 293.414 3.969 30 20 CHED CC(=O)[C@@H](Cc1ccccc1)Sc1cccc(C#N)c1 1640957217 JSWJNWPKEZUCAH-QGZVFWFLSA-N 281.380 3.851 30 20 CHED COc1cccc(C(C)(C)CNc2cc(C)c(C#N)cn2)c1 1642483364 DYEJOGRLULHSKE-UHFFFAOYSA-N 295.386 3.660 30 20 CHED CC[C@]1(C)CCCN(c2ncc(Cl)c(C)c2C#N)C1 1650790844 OKNLUJYIMPXXCE-OAHLLOKOSA-N 277.799 3.932 30 20 CHED Cc1ccnc(N(CC2CC2)C2CCCCC2)c1C#N 1655095473 OBUXICXWGONVND-UHFFFAOYSA-N 269.392 3.811 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNc1cncc(C#N)n1 1655066834 YKVIFCKGIBWNPH-JSGCOSHPSA-N 272.396 3.613 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C(=O)O)c2ccccc12 1588561707 ZCCJZCZQSSDWCL-UHFFFAOYSA-N 298.342 3.578 30 20 CHED CCCOc1ccc([C@@H](C)NCC(C)(C)C#N)cc1 122317480 SANWMPORKYPIFE-CYBMUJFWSA-N 260.381 3.676 30 20 CHED CC[C@@H](C)CNc1ccn(-c2ccc(C#N)cc2Cl)n1 1656998696 NHWDZAMCGKDLNG-LLVKDONJSA-N 288.782 3.855 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1c1cc(C)c(C#N)cn1 1651699018 MVRBLPLPXZKFPH-DOMZBBRYSA-N 257.381 3.667 30 20 CHED C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 1659756193 MFIUCCIKUFZTFQ-BEFAXECRSA-N 291.398 3.926 30 20 CHED N#Cc1cccc(-c2nc([C@H]3CCCCS3)no2)c1 231028796 JTJLSXRTCLRZAX-GFCCVEGCSA-N 271.345 3.566 30 20 CHED CCCCCCCCC(=O)N(C1CC1)C1(C(=O)O)CCC1 1595705210 RHWPFXBTEXACFP-UHFFFAOYSA-N 295.423 3.735 30 20 CHED C[C@H](CCNC(=O)Nc1ccnc(C#N)c1)CC(C)(C)C 1673535815 IZUZRSRWATVWRF-GFCCVEGCSA-N 288.395 3.537 30 20 CHED C=CCCCCCCCCNc1cc(C(=O)O)ncn1 1776207884 AYMRKBBEUHBCFB-UHFFFAOYSA-N 277.368 3.503 30 20 CHED CCCC(=NNc1ccc(CC(=O)O)cc1)c1ccccc1 1776083708 VLBASIOSVYSCNX-UHFFFAOYSA-N 296.370 3.930 30 20 CHED C=CC[C@@H](C)NCc1ccc2cc(OC)ccc2c1 134748213 PILCRFFYTKJSAZ-CYBMUJFWSA-N 255.361 3.903 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCc1ccc(Cl)cc1 11182395 KPLRJXAMQDYGBO-JXMROGBWSA-N 297.741 3.968 30 20 CHED C#CCCCNc1ccc(Br)cc1C 161051262 MZUGUITYGWQVCW-UHFFFAOYSA-N 252.155 3.583 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C)cc2)c1 169619098 VZTOKLPSOAOMQW-FLIBITNWSA-N 252.313 3.900 30 20 CHED CC(C)(C)c1ccc(CCCCC(=O)NC2(C#N)CC2)cc1 160920000 HRWHYEKJEHEEPF-UHFFFAOYSA-N 298.430 3.869 30 20 CHED N#CCCCCNCc1c(Cl)cccc1Cl 163861855 WTJIEZLQYBHKIQ-UHFFFAOYSA-N 257.164 3.777 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CCC(C)(C)c1ccccc1 151718626 CDNXZIDNJNHCAG-SFHVURJKSA-N 286.419 3.799 30 20 CHED C=CCC(CC=C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 151096974 DFLJVTANBVJZOR-AWEZNQCLSA-N 293.370 3.518 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C#N)c1 151029621 IBORBFRSAAWQBN-KZULUSFZSA-N 280.346 3.720 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 153508056 LDDCUGYJLDOBMN-HLLBOEOZSA-N 270.376 3.584 30 20 CHED CCCc1nccn1CC#Cc1ccc(Cl)cc1 153527357 KIYHQNOVQGDNNS-UHFFFAOYSA-N 258.752 3.541 30 20 CHED C=C(C)CNC(=O)N[C@@H](CC)c1cccc(Cl)c1 156407595 ZRXFVZPFDODXEB-ZDUSSCGKSA-N 266.772 3.666 30 20 CHED C[C@H](C#N)Oc1ccc(-c2nc3ccccc3[nH]2)cc1 154262366 ZPNYXCKSOCINHQ-LLVKDONJSA-N 263.300 3.521 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(C#N)c(Cl)c2)C1 154309209 GOMNCFHJKARRNO-FZMZJTMJSA-N 290.794 3.862 30 20 CHED Cc1cn2c(/C=C/C(=O)c3ccccc3O)c(C)nc2s1 156604440 XYVKREIIILBNDG-BQYQJAHWSA-N 298.367 3.614 30 20 CHED C#CCCCCNC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 154998846 LRAXMXXUGUQZAA-DLBZAZTESA-N 298.430 3.686 30 20 CHED Cc1cc(O)c(CN(CCC#N)Cc2ccco2)cc1C 159575743 KJTBDYJCHWFUNT-UHFFFAOYSA-N 284.359 3.518 30 20 CHED CC(C)c1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1 929161156 UFQAZJQNRKPMIK-CYBMUJFWSA-N 271.364 3.577 30 20 CHED C[C@H](NCCC#N)C(c1ccccc1)c1ccccc1 20199771 SVFARQPKWGVFQC-HNNXBMFYSA-N 264.372 3.710 30 20 CHED C=C(Cl)CNCc1csc(-c2ccsc2)n1 165151002 OBAROZVCCZACAY-UHFFFAOYSA-N 270.810 3.714 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(OCC#N)cc1 281660642 QETAOWCGVWFPHN-DZGCQCFKSA-N 258.365 3.594 30 20 CHED CC(C)CCC(=O)Nc1ccc(Cl)c(C#N)c1 53496607 TVUSWWFBNINXGU-UHFFFAOYSA-N 250.729 3.586 30 20 CHED C[C@H](CC(=O)N(C)c1cccc(C#N)c1)CC(C)(C)C 59095750 OXLSHEQOVVQZLR-CYBMUJFWSA-N 272.392 3.983 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CCO1 70349848 CCTMGSLXYVEWLQ-HIFRSBDPSA-N 278.783 3.827 30 20 CHED Cc1cc(C#N)cc(NCc2cc(C)c(O)c(C)c2)c1 308158793 VFXBGJPWZOWKGX-UHFFFAOYSA-N 266.344 3.801 30 20 CHED C=C(Br)COc1cccc(C(F)(F)F)c1 308929772 QXEJSKCBZWACHR-UHFFFAOYSA-N 281.071 3.993 30 20 CHED C=C(C)CN(CC)C(=O)c1c(C)cccc1Br 310505001 SJBDTWDDDZUXFO-UHFFFAOYSA-N 296.208 3.796 30 20 CHED C=CCC[C@@H](CO)N[C@H](CC)c1ccc(Cl)cc1 321029654 QAIJVPVJVGMFOJ-LSDHHAIUSA-N 267.800 3.708 30 20 CHED Cc1c(C(=O)NCC(C)(C)C#N)sc2cccc(F)c12 335867404 XVAMRJVUSGUIGA-UHFFFAOYSA-N 290.363 3.628 30 20 CHED CC(=O)c1ccc(N(C)C[C@@H](C)C#N)cc1C(F)(F)F 705543978 SLOISVVPMSQWLW-VIFPVBQESA-N 284.281 3.504 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 597669670 VRWPYYKSAFKMID-MRVPVSSYSA-N 271.147 3.790 30 20 CHED Cc1cc(CN(C)C2CCC(F)(F)CC2)ccc1C#N 347620705 SIGICGQDIZJHMM-UHFFFAOYSA-N 278.346 3.876 30 20 CHED C[C@H](C#N)Sc1nc2ccccc2c(=O)n1C1CCCC1 6531325 VYDLUQPVVNNPKI-LLVKDONJSA-N 299.399 3.516 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc(OC)c(Cl)c1 55293987 BVJGMMWUJQXMLQ-UHFFFAOYSA-N 295.810 3.706 30 20 CHED CCOc1ccc(CCC(=O)Nc2ccc(C#N)cc2)cc1 55980550 FXPSNYBNPXMPCN-UHFFFAOYSA-N 294.354 3.528 30 20 CHED CCCN(CC#N)Cc1c(C)cc(C)c(C(C)=O)c1C 58909296 KIVYRIDNYHUMHM-UHFFFAOYSA-N 272.392 3.550 30 20 CHED CC[C@H](CC(=O)N(C)c1cccc(C#N)c1)C(C)C 104325968 AIVFTZQZWDGSLX-CQSZACIVSA-N 258.365 3.593 30 20 CHED Cc1nc(CC(C)C)sc1C(=O)Nc1ccccc1C#N 102830907 OJZPLAUJZCMVAZ-UHFFFAOYSA-N 299.399 3.774 30 20 CHED C[C@H](c1ccco1)N(CCOc1ccccc1C#N)C1CC1 119223032 GPTVEVPQTBTHJQ-CQSZACIVSA-N 296.370 3.756 30 20 CHED CCc1ccc(CC(=O)Nc2cccc(C#N)c2C)cc1 178380151 NBGPUIMWQVYUPP-UHFFFAOYSA-N 278.355 3.610 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 110678872 ZGFXFPBYVVOQCM-JMJZKYOTSA-N 297.185 3.515 30 20 CHED CCCCCCCOc1cc(OC)ccc1C=O 104647493 OZBFBZZHSWYFON-UHFFFAOYSA-N 250.338 3.857 30 20 CHED N#Cc1ccccc1COc1cccc(CNCC2CC2)c1 66905192 JLOOPKUJTUGTGV-UHFFFAOYSA-N 292.382 3.637 30 20 CHED CC[C@@](C)(NCc1cc(C#N)cs1)c1nc(C)cs1 177705904 BRSRBLHZTNCMHA-CQSZACIVSA-N 291.445 3.800 30 20 CHED CC(C)[C@H]1CN(c2c(C#N)cnc3ccccc23)CCS1 301485743 ZJHVBTFCWUYRQS-MRXNPFEDSA-N 297.427 3.684 30 20 CHED Cc1ccccc1[C@H]1CN(c2ccc(C#N)cc2F)CCO1 78367330 TVIUJFMJYAINCU-GOSISDBHSA-N 296.345 3.584 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1ccc(OCC(C)C)cc1 410115422 GVCDSHQXFBEUEN-MRXNPFEDSA-N 289.419 3.735 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2CC2CCCCC2)nc1 60874387 HLWBPICMDWDQQW-MRXNPFEDSA-N 269.392 3.892 30 20 CHED CCOc1cc(C)ccc1CNc1c(C#N)cccc1C#N 302869510 AVPSHNBTJXAXQV-UHFFFAOYSA-N 291.354 3.749 30 20 CHED CC/C=C(\C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 175008496 JGZNNLNXKMQGEF-LFYBBSHMSA-N 295.304 3.529 30 20 CHED CC(C)CN(C(=O)c1cccc(SCC#N)c1)C1CC1 79397353 TUWAAPNZEREASD-UHFFFAOYSA-N 288.416 3.563 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)cc1 111685607 YFZNHECDJPCFPK-WTKPLQERSA-N 282.339 3.914 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 176981240 DFDAXPOMAKCDIZ-GFCCVEGCSA-N 288.347 3.540 30 20 CHED N#Cc1ccccc1CSCCNCc1cccs1 170670603 CWACBOXJRWACQI-UHFFFAOYSA-N 288.441 3.643 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cccc(C)c1O 121360573 SXYKSJBLDIUWJQ-UHFFFAOYSA-N 295.382 3.572 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)NCc1cccc(C#N)c1 123099235 LWTGLDFKINFDJJ-DLBZAZTESA-N 299.418 3.668 30 20 CHED CC#CCCOc1ccc(Br)c(Cl)c1 307594579 IYTVEOBMSHHSLD-UHFFFAOYSA-N 273.557 3.895 30 20 CHED CC[C@@](C)(NCc1cccc(C#N)c1)c1nc(C)cs1 174505943 IVNYMUAFMVKIKR-MRXNPFEDSA-N 285.416 3.738 30 20 CHED CCCCCCCCN[C@@H]1CCN2CCC[C@H]2C1 252674964 WFWPFSSBBQCGNE-CVEARBPZSA-N 252.446 3.563 30 20 CHED C=CCN(CCOC(C)(C)C)Cc1ccccc1F 65951244 YGEIVVUTAVTYBO-UHFFFAOYSA-N 265.372 3.629 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)s1 182618789 JVJWHCVANHQYCQ-SECBINFHSA-N 257.786 3.876 30 20 CHED N#Cc1nccnc1Nc1ccc(Nc2ccccc2)cc1 301200028 WEURASZYNUACMN-UHFFFAOYSA-N 287.326 3.835 30 20 CHED N#Cc1nc(N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)ccc1Cl 301746980 QNUPWBVSIAXVTC-CSMYWGQOSA-N 295.773 3.747 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CC#N)cc2)cc1 79648847 CTBWGTBODLPYME-CQSZACIVSA-N 293.370 3.944 30 20 CHED CC(C)(C)c1cccc(NC(=O)c2cccc(C#N)c2)c1O 185852499 MYSGFYYNAPTEPF-UHFFFAOYSA-N 294.354 3.814 30 20 CHED COc1ccc([N+](=O)[O-])cc1N[C@@H](C)c1cccc(C#N)c1 315754102 QBVKIKOOXJSGPJ-NSHDSACASA-N 297.314 3.648 30 20 CHED COc1cc(C#N)ccc1CN(Cc1cccs1)C1CC1 120529710 LMRGIIKCYLQCQC-UHFFFAOYSA-N 298.411 3.793 30 20 CHED CC(=O)Nc1ccccc1CNc1c(Cl)cccc1C#N 78377398 WIBCUFHCANWEDL-UHFFFAOYSA-N 299.761 3.782 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H]1C(C)(C)C 438193784 WFBNHNIEWUXYFH-INIZCTEOSA-N 272.392 3.577 30 20 CHED C[C@H](CCC#N)Sc1nnc(CCc2ccccc2)o1 412996986 HFVDWGZXWUXLHC-GFCCVEGCSA-N 287.388 3.639 30 20 CHED N#Cc1ccc(CNc2ccc(-n3ccnc3)c(Cl)c2)o1 127035453 CPFDLBQMZNBRCU-UHFFFAOYSA-N 298.733 3.602 30 20 CHED C=CCCCCCN(C)C(=O)Cc1cc(F)ccc1OC 186479688 OBMWFJRNVOCMQS-UHFFFAOYSA-N 293.382 3.582 30 20 CHED CC[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccc(C)cc1 78782018 QDJFQINYVXOBJM-GOSISDBHSA-N 292.382 3.942 30 20 CHED N#C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)C1CCCCC1 315052711 MOCUJVPLUAVUSO-ZWKOTPCHSA-N 296.414 3.695 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(OC(F)F)c1 182599218 MRSKSHHRJFXNIX-LLVKDONJSA-N 283.318 3.763 30 20 CHED C[C@@H]1C[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)O1 413538417 SSIDMUDAYGBJMC-FOGDFJRCSA-N 298.308 3.802 30 20 CHED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccc(O)cc1 76106251 KCCMVSUMWLENNQ-LZCJLJQNSA-N 278.229 3.706 30 20 CHED C[C@@H](CC(F)F)C(=O)Nc1cccc(OCCCC#N)c1 411503988 OSSIXJUWXMDLGP-NSHDSACASA-N 296.317 3.599 30 20 CHED Cc1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 77380156 ZQZIVQCCGFXTDK-UHFFFAOYSA-N 281.359 3.676 30 20 CHED N#Cc1cnc(N2CCC[C@@H](c3ccccc3)CC2)c(F)c1 413121861 XMUZYIZTGUQLRH-MRXNPFEDSA-N 295.361 3.866 30 20 CHED C=C(Cl)CNCc1cc(Cl)ccc1OC(F)F 127324624 DMELKHNLLBOCAZ-UHFFFAOYSA-N 282.117 3.784 30 20 CHED C=CCC(CC=C)c1nc(-c2ccccc2OC)no1 124413743 TZCRUVZJZVIFGB-UHFFFAOYSA-N 270.332 3.981 30 20 CHED C[C@H]1OCC[C@@H]1SCc1ccc(Cl)cc1C#N 186650227 UMLNGNHAQDNQHF-RNCFNFMXSA-N 267.781 3.622 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)c(F)c2)CCC1 188849977 YBUMQUUHFZITRE-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@@H](C)c1ccc(OC)cc1 188450274 BIVVAWCZFHKBNI-RDTXWAMCSA-N 289.419 3.907 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(C)C1(C#N)CCC1 413246330 OXSNFISKFPMBCW-HNNXBMFYSA-N 276.424 3.888 30 20 CHED COc1cccc(OC)c1/C=C1\Cc2cc(F)ccc2C1=O 182252325 NQMLXELNRRQPOO-ZRDIBKRKSA-N 298.313 3.665 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2cccs2)cc1 213639701 RCTAEKWYUNZXCO-FPLPWBNLSA-N 269.325 3.547 30 20 CHED N#Cc1ccc(-c2csc(C(=O)c3ccccc3)n2)cc1 71139843 QFZCJIFFWDSVCR-UHFFFAOYSA-N 290.347 3.913 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2CCO[C@@H](c3ccccc3)C2)C1 185901434 LXSYMGSCFHCDBE-XOYOTBSWSA-N 284.403 3.579 30 20 CHED C=CCC1(C(=O)N[C@H](C)C2(OC)CCC2)CCCCC1 416020383 CCHIHNRAFGSQGC-CQSZACIVSA-N 279.424 3.587 30 20 CHED CCCC[C@H](NCCCC#N)c1ccc(OC)cc1 182156531 FQYQTOOKKINMPF-INIZCTEOSA-N 260.381 3.820 30 20 CHED CC(C)(C)c1ccc(C(=O)NC2(C#N)CCCCC2)cc1 40215316 PGZPLMOGXGDXPB-UHFFFAOYSA-N 284.403 3.940 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 183114735 XZKKFRSMGKXHEK-CYBMUJFWSA-N 298.390 3.943 30 20 CHED C=C(C)CCc1noc(CCc2ccc(OCC)cc2)n1 508615746 QCBQVHNTYOZHMT-UHFFFAOYSA-N 286.375 3.762 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]2CCC[C@H]21 227498285 ZVEJLHQWJCLISP-ZYHUDNBSSA-N 295.308 3.741 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)CC(F)F 411183463 RUMIMCRFQZKXIY-SNVBAGLBSA-N 273.348 3.554 30 20 CHED Cc1cc(C(=O)Nc2ccccc2C#N)ccc1Cl 135026837 BKPDYQVTUPUHPO-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C[C@H]1CC(C(=O)N(C)c2ccccc2C#N)C[C@H](C)C1 503603770 XMQYWNGSWPTSRZ-CHWSQXEVSA-N 270.376 3.593 30 20 CHED C=CCC(CC=C)C(=O)NCCCOc1ccccc1C 131112337 QBFMVNGWGOFUGQ-UHFFFAOYSA-N 287.403 3.649 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC[C@@H](C)F 505546425 GAILRTULHBZHDY-GFCCVEGCSA-N 252.329 3.859 30 20 CHED C/C(O)=N/C(C)(C)c1noc(C(F)=C2CCCC2)n1 328855489 WYMSZRGVUHBISS-UHFFFAOYSA-N 267.304 3.536 30 20 CHED CC1(C)CCC(/N=C(/O)[C@@H]2C[C@@H]2C2CC2)(C(=N)O)CC1 328817501 HIHSWAVALKWIHF-VXGBXAGGSA-N 278.396 3.863 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCC(F)(F)C2)n1 613429781 TWOOBTKTVMNZBA-LLVKDONJSA-N 279.334 3.850 30 20 CHED N#Cc1cccc(CNCc2nc3ccc(F)cc3s2)c1 428873703 XOYBLVNYIOTHJE-UHFFFAOYSA-N 297.358 3.597 30 20 CHED COc1ccc(OCCCC(C)(C)C#N)cc1F 135493511 LJSLFSLOBPUIKK-UHFFFAOYSA-N 251.301 3.543 30 20 CHED C[C@H]1[C@H](C)CCN1CC#Cc1ccc(C(F)(F)F)cc1 426426339 HDFWMAQJDLWRLZ-OLZOCXBDSA-N 281.321 3.787 30 20 CHED CC(C)CCc1nc(CN(CCC#N)CC2CC2)cs1 81045007 QXUCTJPXLQXBKC-UHFFFAOYSA-N 291.464 3.857 30 20 CHED C=C(C)CSc1nncn1-c1ccc(C)cc1C 47821992 CWTIFLNIUPKKQN-UHFFFAOYSA-N 259.378 3.552 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1cc(Cl)ccc1OC 429937543 DIWGEXGWFDKFQX-UHFFFAOYSA-N 295.810 3.909 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCc1ccc(OC)cc1 191131886 HNEWGHYUEIFNIF-KSSFIOAISA-N 289.419 3.735 30 20 CHED COc1cccc2cc(C(=O)/C=C/c3c(C)noc3C)oc12 192757362 VWXISQNORPPIMV-BQYQJAHWSA-N 297.310 3.942 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2ccn(C)c2c1 424603050 FZHDJIOTKUVDLU-UHFFFAOYSA-N 256.349 3.719 30 20 CHED Cc1cc(F)c(CNCC(C)(C)CCC#N)c(F)c1 424172742 KPDMDBKYFRQQSO-UHFFFAOYSA-N 266.335 3.693 30 20 CHED CCCCCCCC(=O)N1CCSC[C@H](C)C1 191218366 SUKLAPOAJDOQLW-CYBMUJFWSA-N 257.443 3.558 30 20 CHED CC1(C)CCCc2cc(C#N)c(N3CC[C@](C)(F)C3)nc21 428161602 FWSGQUBWLGJLOC-KRWDZBQOSA-N 287.382 3.505 30 20 CHED C[C@H](CCN(CCC#N)Cc1ccccn1)c1ccccc1 193881089 HAIMFVRRXUBNJL-QGZVFWFLSA-N 293.414 3.991 30 20 CHED C=CCC1(C(=O)Nc2cccc(-c3ncc[nH]3)c2)CCC1 191217059 FXHZRCKYVAPLFH-UHFFFAOYSA-N 281.359 3.762 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccc(O)cc2SC)c1 192188832 DHSYWNKLUMAQDO-UHFFFAOYSA-N 298.367 3.739 30 20 CHED C=CCC[C@@H](N[C@H]1CCCc2cc(N)ccc21)C1CC1 423364990 ZOHPEAFKJCJERN-MSOLQXFVSA-N 270.420 3.981 30 20 CHED CC1(C)CCC(CC(=O)NCc2ccc(C#N)s2)CC1 421603585 OUYHHJHLJQGYER-UHFFFAOYSA-N 290.432 3.842 30 20 CHED Cc1ccc(CNC2CCC(C)(C#N)CC2)cc1F 336214130 MNJUVASMJDIBDN-UHFFFAOYSA-N 260.356 3.696 30 20 CHED CSCCCCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425137383 XPENYZZRPDTAOW-ZDUSSCGKSA-N 290.432 3.611 30 20 CHED C=CCOc1cccc(CN(CCC)CC(F)F)c1 512585257 CDXSRYRAMCGTOP-UHFFFAOYSA-N 269.335 3.729 30 20 CHED N#Cc1ccc(CNc2ccccc2F)c(OC(F)F)c1 439560594 IMRQMEGRQMDGEQ-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=CCCOCCN[C@@H]1CC[C@@H](Cc2ccccc2)C1 436422419 ZFEMOBOHADVRQN-ZWKOTPCHSA-N 273.420 3.580 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)cc(C)c(=O)n2C 430217848 LMNUTUMHKSKVIU-TZMCWYRMSA-N 284.403 3.860 30 20 CHED C=C(C)CS(=O)(=O)N[C@H](CC(C)C)c1ccccc1C 435439083 RBDDUTVDYVILOB-MRXNPFEDSA-N 295.448 3.578 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1CCC[C@@H](SC)C1 330838755 LQEKJUXODMYIPM-GHMZBOCLSA-N 282.409 3.524 30 20 CHED CC(C)(C)[C@H]1CCN(Cc2cc(F)ccc2C#N)C1 230142225 DFNWSJSMDCCUSU-AWEZNQCLSA-N 260.356 3.565 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(CCC#N)Cc2ccco2)C1 330520824 IPRLTFHPMHDFDN-GJZGRUSLSA-N 288.391 3.738 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1nccs1 334241012 WDELVCYISWSBBO-ABAIWWIYSA-N 283.400 3.743 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1sccc1C#N 523307332 KUEWSYJPKSLZOW-UHFFFAOYSA-N 284.384 3.591 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccnc1 90665170 QWQAMPJGRBQFBE-RHSMWYFYSA-N 265.360 3.777 30 20 CHED Cc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccc1Br 349856263 ZXRPLGLVBPIXIE-DGCLKSJQSA-N 293.208 3.539 30 20 CHED N#CC[C@@H](Cc1nc(C2CCCC2)no1)c1ccccc1 345917735 FHOWLHMTBUGXGD-HNNXBMFYSA-N 281.359 3.967 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)OC[C@@H]2CCCCO2)n1 340780134 SKHDLBBWFNODQL-STQMWFEESA-N 294.395 3.570 30 20 CHED C=C(C)CCc1noc([C@@H](c2cccnc2)C(C)C)n1 347218994 OTSGLYKNRNGQTJ-OAHLLOKOSA-N 271.364 3.761 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 523968527 ZIUROQHWUQQBQX-GHMZBOCLSA-N 263.406 3.567 30 20 CHED C=C[C@@H](CC(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 245601828 JAGBEFFUKONZMI-XHSDSOJGSA-N 271.404 3.851 30 20 CHED C=CCC1(CNC(=O)N2CCC(SC)CC2)CCCC1 601609247 YBMPJBLHTHHIGT-UHFFFAOYSA-N 296.480 3.660 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 520760073 KVXPOOAAAJBBAI-JENIJYKNSA-N 292.382 3.752 30 20 CHED Cc1ccc([C@H]2CCN(C(=O)C3(C#N)CC(C)C3)C2)c(C)c1 526945585 JBUHRYIZLIUIRM-RCDNUKIMSA-N 296.414 3.559 30 20 CHED C=CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1 348179845 IASJUAXDUQDHHO-UHFFFAOYSA-N 258.340 3.672 30 20 CHED Cc1ccc(C=NOCC(=O)Nc2cccc(C)c2C)cc1 255627964 DACYHRQYGFMNQU-UHFFFAOYSA-N 296.370 3.601 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](CC)O1 347863797 ACRWZZARMJHMQO-DLBZAZTESA-N 287.403 3.549 30 20 CHED C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1ccccc1 433103770 LVZOPDOJSLKNKD-YJBOKZPZSA-N 292.382 3.636 30 20 CHED CCOc1ccccc1C=NNc1oc(C(C)C)nc1C#N 254713519 DWAMAZQVUYVPNH-UHFFFAOYSA-N 298.346 3.514 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2cccc3[nH]ccc23)no1 346034561 MGDQNTONTICXLP-UHFFFAOYSA-N 290.282 3.658 30 20 CHED C=CCC1(CNC2CCN(C(C)(C)C)CC2)CCCC1 449601867 BDDHQXRFASJVSS-UHFFFAOYSA-N 278.484 3.975 30 20 CHED N#Cc1ccc(SCCCC2(C#N)CCOCC2)cc1 347678368 BRFRCZANWJEIEE-UHFFFAOYSA-N 286.400 3.751 30 20 CHED C=CCCCC[C@@H](C)NCCCN1CCCCCC1=O 449064691 WAJHZSPBGWERBG-MRXNPFEDSA-N 280.456 3.504 30 20 CHED COCCOc1ccccc1/C=C\C(=O)c1ccc(C)cc1 255470082 JAAPOGBTTOOUIF-QXMHVHEDSA-N 296.366 3.916 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@H]1CCN(Cc2ccccc2)C1 602618217 RQZKXYSTRIYSLI-HKUYNNGSSA-N 299.462 3.523 30 20 CHED Cc1nnc(S[C@H](C#N)C2CC2)n1[C@@H]1CCC[C@@H](C)C1 601080210 OAMOQCSXAYDXAD-LERXQTSPSA-N 290.436 3.732 30 20 CHED CC(C)COc1ccc(CCNc2cnccc2C#N)cc1 354323546 DUIFCAJTNJBHAL-UHFFFAOYSA-N 295.386 3.643 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cccc(C#N)c1 609034486 WYJLXUIAMLYSQO-NVXWUHKLSA-N 284.403 3.893 30 20 CHED N#CCc1cccc(NCc2cnc([C@H]3CCCO3)s2)c1 449693551 FAZIPLCRISJUIM-OAHLLOKOSA-N 299.399 3.673 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2c1ccn2C 531823704 CVRIBNPNFDDXSR-UHFFFAOYSA-N 268.360 3.885 30 20 CHED Cc1ccccc1[C@@H]1CN(C[C@@H](C)CCC#N)[C@@H](C)CO1 602475167 XIFCVSTUADEVJH-ZVZYQTTQSA-N 286.419 3.697 30 20 CHED Cc1c(Cl)cccc1NC(=O)[C@@H](C)ON=C1CCC1 265487551 VAKQEEXVDXSSLK-SNVBAGLBSA-N 280.755 3.532 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)c2ccco2)s1 610172567 NIJAMISYPAXYAQ-VIFPVBQESA-N 274.345 3.517 30 20 CHED CCc1nsc(N[C@@H](CCC#N)c2ccccc2)n1 269721522 QFIKMAJXUKUYJE-LBPRGKRZSA-N 272.377 3.557 30 20 CHED C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1cccc(C#N)c1 610364070 MFEMGVNAZDGCPK-LBPRGKRZSA-N 289.338 3.531 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C#N)cc1 539827480 DCTAJXVTZDVGSD-DNVCBOLYSA-N 276.383 3.936 30 20 CHED C[C@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)C1CCCC1 610521659 LMIOLLLZPWVZHQ-HNAYVOBHSA-N 298.430 3.844 30 20 CHED N#CCC(=O)Nc1cccc(CSCc2ccccc2)c1 357033169 BNWLJGLECUUOIB-UHFFFAOYSA-N 296.395 3.972 30 20 CHED N#Cc1csc(CN2CC[C@@H]2c2cccc(F)c2)c1 611274497 CNXZCJYUFIFNPK-OAHLLOKOSA-N 272.348 3.706 30 20 CHED Cc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccn2)cc1 442878157 SMUUPAMMPWNWLI-WDYCEAGBSA-N 291.398 3.761 30 20 CHED N#CC[C@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 353342050 GIBOQNLIEZLVMA-MRXNPFEDSA-N 296.345 3.529 30 20 CHED Cc1ccccc1[C@H](NCC#N)C1CCC(C)CC1 611393765 VWRZUSSDPBIHCD-PUJMQQBBSA-N 256.393 3.976 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(F)c(C#N)c1 352719196 FJFFWVPOVIEUHY-UHFFFAOYSA-N 284.334 3.521 30 20 CHED C=CCCC(=O)N(CC)Cc1ccc(Cl)cc1 263691624 RKGJROAOWNWQFZ-UHFFFAOYSA-N 251.757 3.655 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(OCCC)cc1 452771556 ACXOPINAMPNYPN-UHFFFAOYSA-N 289.419 3.736 30 20 CHED Cc1ccc2oc(C(=O)N[C@@](C)(C#N)CC(C)C)cc2c1 536079557 DDBJJHNLIYVGGG-QGZVFWFLSA-N 284.359 3.799 30 20 CHED CC#CCCSc1nc(C2CC2)n(-c2ccccc2)n1 360508535 PEMTWEJVADFSAA-UHFFFAOYSA-N 283.400 3.650 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc2c1OC(C)(C)C2 530502636 RQSUQZCHEZPSAL-UHFFFAOYSA-N 288.391 3.830 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccccc2C1 618803411 WVWMXGBXFRBTEU-QUCCMNQESA-N 288.394 3.693 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1CCCSCC#N 451151813 ZQQMSZXCHLDQMC-TUAOUCFPSA-N 294.386 3.685 30 20 CHED C#CC[C@H](NCc1ncc(C(C)(C)C)o1)c1ccccc1 271714984 OYTRLEQQRGBPHB-HNNXBMFYSA-N 282.387 3.826 30 20 CHED C=CCC[C@@H](C)NC[C@@H](OC)c1ccc(Cl)cc1 544565340 KOOAAOVWUFRNKY-IUODEOHRSA-N 267.800 3.972 30 20 CHED CCC1(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 454892574 LCOSWOUFRRZEGA-UHFFFAOYSA-N 297.280 3.641 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 455317221 WOSQIWRTMCNVPR-LLVKDONJSA-N 282.334 3.633 30 20 CHED C=CCOc1cccc(NC(=O)CCC(C)(F)F)c1 619111740 WZNCTUXTUPTFIA-UHFFFAOYSA-N 269.291 3.625 30 20 CHED N#CCCCNC1(c2c(Cl)cccc2Cl)CC1 271785415 LPJJQXOQMFFMLT-UHFFFAOYSA-N 269.175 3.876 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1ccc(CC#N)cc1 543206551 RPJWPVBYQVMKTA-CABCVRRESA-N 256.393 3.763 30 20 CHED C=CCC[C@H](c1ccccc1)N1C(=O)[C@H](C)N(C2CC2)C1=O 277139253 BVWYNAIADUVYBN-XJKSGUPXSA-N 298.386 3.509 30 20 CHED C=CCCCCNC(=O)N(C)[C@H](C)Cc1cccc(F)c1 458668092 KBUUEPXGQVEVAN-CQSZACIVSA-N 292.398 3.754 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(F)ccc(C)c1F 540524730 AHECGEWYELUVQF-NSHDSACASA-N 267.319 3.748 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCCc2ccc(O)cc21 360995795 JLBGBQCJIHYFMV-INIZCTEOSA-N 272.392 3.689 30 20 CHED CSc1ccc(C)c(NC(=O)C2(C#N)CCCC2)c1 272042081 YEYJXDSTCUSOML-UHFFFAOYSA-N 274.389 3.739 30 20 CHED CCSc1ccc(-c2noc([C@@]3(C#N)C[C@@H]3C)n2)cc1 453168052 BSGQLOFOQIVWHC-ZUZCIYMTSA-N 285.372 3.650 30 20 CHED CCC(CC)n1ccc(C(=O)Nc2cc(C)cc(C#N)c2)n1 456973642 WOQBUFOSRPOPBG-UHFFFAOYSA-N 296.374 3.677 30 20 CHED Cc1ccnc(N2CCC[C@@H]2/C=C\c2ccccc2)c1C#N 544142102 LWMBOKRYKHOARL-DOOKAGJSSA-N 289.382 3.944 30 20 CHED CC[C@@H](NCc1ccc([C@@H](C)O)cc1)c1ccc(C#N)cc1 278259859 NMRJRFIKKUXQSG-AUUYWEPGSA-N 294.398 3.852 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 452720716 DXWZVCBPJFSSTD-YIYPIFLZSA-N 273.376 3.589 30 20 CHED N#CC1(c2nc(-c3ccc4[nH]ccc4c3)no2)CCCCC1 273660659 FTACYMPOVGNAFK-UHFFFAOYSA-N 292.342 3.943 30 20 CHED C=CCC1(NCCc2csc(C)n2)CCCCC1 625934978 IHUOOLGQXYIAJN-UHFFFAOYSA-N 264.438 3.863 30 20 CHED C=CC[C@H](CC)NC(=O)c1c[nH]cc1-c1ccc(F)cc1 467683828 DGNQPIBRGYNHCV-AWEZNQCLSA-N 286.350 3.905 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1Cc2ccccc2S1 620863315 OISHMUMWFOVDKV-CQSZACIVSA-N 275.417 3.564 30 20 CHED N#CC1(CCCNc2ccc(Cl)c(F)c2)CCOCC1 281317445 UYPKNFNKIRBLKN-UHFFFAOYSA-N 296.773 3.992 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 462911763 HZABYYDALKXKKZ-OUCADQQQSA-N 285.347 3.847 30 20 CHED C=CCNC(=O)[C@H](CCC)c1cccc(Cl)c1 623372410 SXSLIQARSFNQMZ-CYBMUJFWSA-N 251.757 3.526 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 550105500 JWGOCGWZAACGMW-SXXASDTRSA-N 298.430 3.620 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2/C=C/c2ccccc2)c1 376455053 OLXHLGBZXIXANB-IJDCCNJMSA-N 275.355 3.635 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 280954932 RWINNCDRBFJRCD-CYBMUJFWSA-N 296.370 3.914 30 20 CHED CC[C@@H]1Cc2ccccc2CN1c1cc(C)nc(C#N)c1 557651528 GMICELVGYSVKDL-QGZVFWFLSA-N 277.371 3.603 30 20 CHED C=CCOc1ccc(CNc2cnc3ccccc3n2)cc1 553244531 ZAMNSHPZCNRFGF-UHFFFAOYSA-N 291.354 3.807 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC1(CC(C)C)CC1 465243844 YRQGYWYXPVJYBU-UHFFFAOYSA-N 285.391 3.815 30 20 CHED C=C[C@H](C)NC(=O)C1(c2ccccc2C)CCCCC1 465142870 ALNNKIFWEDYCOB-HNNXBMFYSA-N 271.404 3.888 30 20 CHED CC#CCCCC(=O)NC1(c2ccc(OC)cc2)CCCC1 467115106 FCMQPHAXNCCFLM-UHFFFAOYSA-N 299.414 3.774 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cc(OC)ncc1F 558254379 CALOVSFSYUWXCC-RYUDHWBXSA-N 266.360 3.625 30 20 CHED C=CCCN1CCC2(CC1)C(C)=Nc1ccccc12 639714450 CDQIFHZZICOWDV-UHFFFAOYSA-N 254.377 3.702 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1ccc(F)cc1O 287644390 USYAOFJAXBHIKO-PVUWLOKVSA-N 293.382 3.553 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2ccc(C)s2)no1 289019095 FJQQGZRWBHCRPP-NSHDSACASA-N 278.377 3.684 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)Cc2ccccc2O1 554886098 CPUSJUWYDHGULZ-UHFFFAOYSA-N 298.411 3.793 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H](CCC)C1 466366924 NIRWWNWVEPFNSJ-KBPBESRZSA-N 252.402 3.563 30 20 CHED C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)c2cccc(C#N)c2)[C@H]1C 462348939 ZTJDRWOLGBAMPY-BARDWOONSA-N 284.403 3.555 30 20 CHED CCc1ccccc1CC(=O)Nc1scc(C)c1C#N 288821337 NDGRCDSZFHVQPB-UHFFFAOYSA-N 284.384 3.672 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)c(OCC)c1 556567052 CCYNPSCRICZIRL-UHFFFAOYSA-N 259.349 3.526 30 20 CHED C=CCOCCN1CCC[C@H]1c1cc(C)ccc1C 555380237 NNOXCOKIMYMOIY-KRWDZBQOSA-N 259.393 3.643 30 20 CHED COc1cc(C#N)ccc1CSCCC(C)(C)C#N 289355702 HMUNMDYWMPFAIA-UHFFFAOYSA-N 274.389 3.740 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)[C@@](C)(C#N)CC)C2)cc1 557687752 QREYMOXPKZJMRP-IEBWSBKVSA-N 298.430 3.895 30 20 CHED Cc1ccc(C=NNCC2CCCC2)c(Br)c1 808007960 JTJCDNZDCAXIPV-UHFFFAOYSA-N 295.224 3.871 30 20 CHED C=C(C)CN(C)C(=O)[C@H](Oc1ccccc1)c1ccccc1 479319466 UQIXIDMYPNEFNB-GOSISDBHSA-N 295.382 3.841 30 20 CHED C=CCC(C)(C)CN[C@H](c1cncc(F)c1)C1CC1 293813162 VVUDSDXLQKSMMI-HNNXBMFYSA-N 262.372 3.864 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2oc(C)nc12 633345819 CDYCVSGFQYJNAO-UHFFFAOYSA-N 258.321 3.677 30 20 CHED CC[C@H](C)CCC(=O)N[C@@](C)(C#N)C1CCCCC1 552188019 PLNHFARWSYOKFQ-BBRMVZONSA-N 264.413 3.791 30 20 CHED CC(C)Oc1ccc(OC(=O)[C@]2(C#N)CC23CCCC3)cc1 295836502 NBSSLVLFUZLNAD-GOSISDBHSA-N 299.370 3.853 30 20 CHED CCCN(CCc1cccs1)[C@H]1CC[C@H](C#N)C1 299201254 FRNIPLRPQVLRFD-KBPBESRZSA-N 262.422 3.695 30 20 CHED N#C[C@@]1(C(=O)Nc2cc(F)ccc2Cl)CC12CCCC2 298736180 PCSKIITUMJBCBO-OAHLLOKOSA-N 292.741 3.892 30 20 CHED C=CCCCCNCc1cccc(Br)c1OC 479481900 UMNIZBIQHNWDCN-UHFFFAOYSA-N 298.224 3.904 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3cc(O)ccc3C2)CCCC1 649770136 ZCLYCQXRPUJGJC-INIZCTEOSA-N 299.414 3.502 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cc[nH]c2C(C)C)cc1 293635204 ZPHBJEWUOWDICG-INIZCTEOSA-N 295.386 3.695 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 474693863 JICKKAWOQHRRRD-YSVLISHTSA-N 284.403 3.952 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)[C@H]1CCCC(F)(F)C1 800282684 LTXRGNPLQDCWBD-ZDUSSCGKSA-N 296.288 3.546 30 20 CHED C=CC(C)(C)C(=O)NCc1cc2ccccc2s1 294668695 IVNYCDXZLMBHNI-UHFFFAOYSA-N 259.374 3.730 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)c2ccccn2)s1 297661228 FDQFFBOEBQXKKQ-UHFFFAOYSA-N 285.372 3.565 30 20 CHED FCCC[C@@H]1CCCC1=NNCCCOc1ccccc1 800813183 RQMQQPZSWIFLTJ-HNNXBMFYSA-N 292.398 3.951 30 20 CHED CC[C@@H](CC(=O)N1CCC(CCC#N)CC1)C(C)C 563958658 AJJSZCAFQOEMMJ-HNNXBMFYSA-N 264.413 3.601 30 20 CHED C=CCCCCN[C@@H](c1cccc(F)c1)c1cnn(C)c1 471591057 QLPVSYSVHJBWHT-KRWDZBQOSA-N 287.382 3.595 30 20 CHED CCCN(CCCC(C)(C)C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 472233763 NPBWFSGBKQMGOD-BZUAXINKSA-N 292.467 3.842 30 20 CHED CC(C)(C)c1cc(NC(=O)c2ccsn2)c(C#N)s1 297893595 SCSXEIMKNQXECZ-UHFFFAOYSA-N 291.401 3.626 30 20 CHED Cc1ccc(-c2noc(/C=C/c3ccc(C#N)cc3)n2)o1 562556010 PKYQRFVMPHTBSV-VQHVLOKHSA-N 277.283 3.680 30 20 CHED C=CCCCCCCCCNC(=O)c1ncc(C#N)cc1C 816682900 MKYKHMNCJORXOG-UHFFFAOYSA-N 299.418 3.908 30 20 CHED N#Cc1cc(Cl)ccc1N1CC[C@H](c2cccnc2)C1 569098805 NRPBRYQPZAWIKH-ZDUSSCGKSA-N 283.762 3.601 30 20 CHED CC1CC(=NNc2nc(-c3ccc(Cl)cc3)no2)C1 814848845 VXTNOQOGCJWYEZ-UHFFFAOYSA-N 276.727 3.588 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)cc1F 486751253 BYPVIOFILTYCLQ-LBPRGKRZSA-N 262.328 3.707 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(F)cc1NC1CC1 489972480 ORGFZJLDHSULER-UHFFFAOYSA-N 299.349 3.640 30 20 CHED Cc1nc(N(C)Cc2cc3ccccc3o2)ccc1C#N 488110883 FEJYZODNYYRXHL-UHFFFAOYSA-N 277.327 3.644 30 20 CHED Cc1cccc(F)c1CNc1ccc(C#N)c([N+](=O)[O-])c1 811809128 YQOGMXCIFOVGLT-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C[C@@H](NN=C1CC[C@@H]1c1ccccc1)c1ccncc1 819816962 SYKLXEAYZDQEQH-CZUORRHYSA-N 265.360 3.666 30 20 CHED C[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1cc(C#N)cs1 816225006 NDPMVZCBCQLXOR-SCVCMEIPSA-N 263.362 3.601 30 20 CHED OCCC[C@@H]1CCCCC1=NNCc1cccc(Cl)c1 814868003 SOKVCSPWBQMLCF-AWEZNQCLSA-N 294.826 3.748 30 20 CHED C=C(Cl)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 717976907 XWTJJYANSVYSPO-HUUCEWRRSA-N 279.811 3.712 30 20 CHED CCCC(=NNc1cccc(OC)c1)c1ccccn1 814777177 NTGLKECQYBVTHH-UHFFFAOYSA-N 269.348 3.707 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(Cl)s1 489911945 SXYZSNRSGDRXST-UHFFFAOYSA-N 271.813 3.663 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1nccc2ccccc12 811644092 PXIZFIHOUOBNLZ-UHFFFAOYSA-N 296.761 3.541 30 20 CHED C=CC[C@H]1N(Cc2ncc(CC)o2)CCCC1(C)C 573907486 LSNUAUIHDAFWFM-CQSZACIVSA-N 262.397 3.804 30 20 CHED CCOc1ccc(NN=Cc2ccc(COC)cc2)cc1 814984341 XQDNUUTZCCHPJC-UHFFFAOYSA-N 284.359 3.678 30 20 CHED CCCC(C)=NNc1ccc([N+](=O)[O-])cc1Cl 727650469 YQPVWOOENORSCQ-UHFFFAOYSA-N 255.705 3.836 30 20 CHED c1ccc2[nH]c(NN=C3CC[C@@H]3C3CCC3)nc2c1 814709085 ZDTYTRMAXVZKBG-LLVKDONJSA-N 254.337 3.541 30 20 CHED C=CCC1(c2nc(-c3ccnc(OC(C)C)c3)no2)CCC1 572442397 XQHMTDDYUDTHOC-UHFFFAOYSA-N 299.374 3.917 30 20 CHED Cc1ccc([C@@H](C)N(C)c2cc(C)nc(C#N)c2)cc1 572608075 SZSIKGLVHSQDBF-CQSZACIVSA-N 265.360 3.768 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 573895345 WMGRYQBQGZSYMN-XIRDDKMYSA-N 276.424 3.647 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc3c(Cl)cccc3n2)C1 572623461 DMYHHOFTEKWXDU-UHFFFAOYSA-N 299.761 3.767 30 20 CHED CCOc1ccc(/C=N\Cc2cc(F)ccc2F)c(O)c1 729641751 VXHGTHAKRUMOLF-OCKHKDLRSA-N 291.297 3.688 30 20 CHED C=C(C)COc1cccc(NC(=O)C(C)(C)SC)c1 825628736 HGKYYMUSBYRFQY-UHFFFAOYSA-N 279.405 3.722 30 20 CHED C=C(Br)CSc1cccc(F)c1C#N 821042987 BHYPEWMZFIBPLH-UHFFFAOYSA-N 272.142 3.698 30 20 CHED N#CCC[C@@H](NC(=O)/C=C\C1CCCC1)c1ccccc1 493788430 MSCDRSFPTXMNNR-MUSGIIIZSA-N 282.387 3.894 30 20 CHED CCCCCCCCCn1cccc([N+](=O)[O-])c1=O 726431605 DIYHXKYKOGXTCJ-UHFFFAOYSA-N 266.341 3.507 30 20 CHED CC(C)CCN(CCC#N)CCc1ccc(F)c(F)c1 490078556 HRCNQTGZARAPOD-UHFFFAOYSA-N 280.362 3.769 30 20 CHED CC(C)(C)Oc1ccc(NCc2cccnc2)cc1C#N 824722048 MSCIOUCLDAIWQN-UHFFFAOYSA-N 281.359 3.743 30 20 CHED C=CCC(CC=C)c1nc([C@@H](CC)OCC)no1 665037423 FOXVZEONEOALDZ-GFCCVEGCSA-N 250.342 3.793 30 20 CHED C[C@H](C#N)Oc1ccc(CNCC2=CCCCC2)cc1 824538811 TUJYDBHDVVWGEQ-CQSZACIVSA-N 270.376 3.567 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c2ncccc12 905928562 DXALEMQTHURGSZ-ZIAGYGMSSA-N 294.354 3.782 30 20 CHED Cc1ccccc1[C@@H]1CCN(C(=O)c2ccsc2C#N)C1 906492317 CCMNWIJBUULPQE-CYBMUJFWSA-N 296.395 3.558 30 20 CHED CCC(=NNc1cc(C)ncn1)c1ccc(Cl)cc1 731935458 ZTGMZJSNJUASLY-UHFFFAOYSA-N 274.755 3.665 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 821141948 CNRINNAAJMSZBR-VNHYZAJKSA-N 273.376 3.617 30 20 CHED C=CCCC[C@H](N)c1nc([C@H](C)c2cccs2)no1 904617313 TZUYNUPLYYXTHL-MNOVXSKESA-N 277.393 3.639 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(O)cc1 735614963 GMSJMUOBIJRQTB-UHFFFAOYSA-N 262.259 3.507 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)N(C)CC(C)(C)C#N 583856889 KKTFDTLMQXFRRC-KBPBESRZSA-N 279.428 3.536 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2cccc(F)c2F)c1C 730728928 ALLBUMPHIUTVBF-HJWRWDBZSA-N 290.313 3.694 30 20 CHED C=CCCNC(=O)Nc1ccccc1OC1CCCC1 665639681 AXNTZYNCZUEWLX-UHFFFAOYSA-N 274.364 3.706 30 20 CHED C=CCCCCOC(=O)c1ccc2c(C)cc(O)nc2c1 837734802 HUXJKDGEAXWGFR-UHFFFAOYSA-N 285.343 3.762 30 20 CHED CCc1ncc(CON=Cc2ccc(C(C)C)cc2)o1 902689670 NEVVMLDIONBEPO-UHFFFAOYSA-N 272.348 3.911 30 20 CHED CC(C)(C)n1cc(C=NNc2cc(F)c(F)cc2F)cn1 734301483 AAEPGJBXLDRDTG-UHFFFAOYSA-N 296.296 3.501 30 20 CHED COc1ccc(C=NNc2cc(F)c(F)cc2F)cc1F 734301627 IRBDSMDUTPOKLB-UHFFFAOYSA-N 298.239 3.698 30 20 CHED C=CCONC(=O)C[C@H](C)c1ccc(C(C)C)cc1 837048524 TZVXIZCXWWUTMY-ZDUSSCGKSA-N 261.365 3.537 30 20 CHED C=C[C@H](CC)Cc1nc(Cc2ccc(Cl)nc2C)no1 904165729 YTOJXAHFJJPPKP-LLVKDONJSA-N 291.782 3.772 30 20 CHED C=CC[C@@H](NC(=O)N(CC)[C@H](C)C(C)C)c1ccncc1 734678338 GEZIYPVITLZPNW-GDBMZVCRSA-N 289.423 3.775 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccccn1)CC(C)C 830188534 VPJXDNCPKLZJOV-HNNXBMFYSA-N 274.408 3.669 30 20 CHED C[C@H]1/C(=C\c2ccc(C3CC3)cc2)C(=O)c2nccn21 901565176 KPHLYAIBHROQDV-KBVGCWLLSA-N 264.328 3.601 30 20 CHED C#CCOc1ccc(NC(=O)N[C@@H](C)CCC(C)C)cc1 731113933 ZIMKKNVDZKXMDW-AWEZNQCLSA-N 288.391 3.645 30 20 CHED CC(C)c1ncsc1NC(=O)Cc1ccccc1CC#N 836979473 GFKUMIADOPSBNP-UHFFFAOYSA-N 299.399 3.514 30 20 CHED CO[C@H]1CCCCC1=NNc1ncc(Cl)cc1Cl 915947058 ASUQUWMGHLHLMU-NSHDSACASA-N 288.178 3.745 30 20 CHED C=CC[C@@H](NC(=O)N1CCCCCCC1)c1ccncc1 734680119 QVCGDTQEULAPOH-MRXNPFEDSA-N 287.407 3.675 30 20 CHED C#Cc1cccc(NC(=O)NCCc2ccc(CC)cc2)c1 736956572 ZRPDNOOTRJKBOI-UHFFFAOYSA-N 292.382 3.595 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCC23CCC3)cc1 834914169 MAOAGGZBHUDYQT-UHFFFAOYSA-N 259.309 3.717 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2csc(C)c2)c1C 834446795 CNMKIIKTVCTNAU-VOTSOKGWSA-N 274.389 3.786 30 20 CHED CC(C)Nc1ccc(F)cc1NC(=O)C#CC(C)(C)C 837446772 NHHCKAHWLFDGDH-UHFFFAOYSA-N 276.355 3.634 30 20 CHED O=C(O)c1cc(NN=C[C@H]2CC=CCC2)ccc1Cl 916259357 HMUYBGLZSAQQBH-JTQLQIEISA-N 278.739 3.792 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)CC1(C#N)CCCCC1 597373133 ZXQYSUZGAVQAEJ-CQSZACIVSA-N 276.424 3.936 30 20 CHED C=C(C)COC(=O)[C@H](C)c1ccc(Br)s1 744041190 WWZRHRPAXGORCD-MRVPVSSYSA-N 289.194 3.733 30 20 CHED CCCCCCCCN1CCC2(CC1)C[C@@H]2C(=O)OC 740878208 UAUOAYQXUJJOBR-OAHLLOKOSA-N 281.440 3.622 30 20 CHED CC(C)Nc1cc(F)ccc1NCC1(CC#N)CC1 849315598 AOCPDTSVVVLCEG-UHFFFAOYSA-N 261.344 3.752 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@H](C)C(=O)c1ccccc1 678881282 CRRSXRIMDXTBCR-GJZGRUSLSA-N 287.403 3.757 30 20 CHED Cc1cc(NN=C2CCO[C@H]2C)nc2ccc(Cl)cc12 747754734 CKBPSZOLUGZWQG-JTQLQIEISA-N 289.766 3.773 30 20 CHED N#CC1(CC(=O)N[C@H]2CCCC(F)(F)C2)CCCCC1 597407565 DKRCRLNRMZCSSR-LBPRGKRZSA-N 284.350 3.545 30 20 CHED C=C(C)CCOC(=O)CCn1ccc2ccccc21 744302902 GQZZRFIVHYKTOK-UHFFFAOYSA-N 257.333 3.541 30 20 CHED Cc1cc(-c2ccc(CC#N)s2)ccc1O[C@H]1CCOC1 592984740 RECDLGKZMIPGRI-AWEZNQCLSA-N 299.395 3.957 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C1CCCCCC1 741639864 RBMYUQSBTSAUBX-UHFFFAOYSA-N 289.350 3.747 30 20 CHED C=CCCCC(=O)OCC(=O)c1c(C)cc(C)cc1C 748235326 LZPDULASUMOEEB-UHFFFAOYSA-N 274.360 3.694 30 20 CHED Cc1ccc(C(C)(C)c2noc(CCCCCC#N)n2)nc1 596621610 XYMUZLLBAVKGOI-UHFFFAOYSA-N 298.390 3.725 30 20 CHED C=CC[C@H](N[C@H](COC)CC(C)(C)C)c1ccncc1 845942800 XEEATAUAANAXOO-HOTGVXAUSA-N 276.424 3.740 30 20 CHED C=CCOc1ccc(OC(=O)/C=C/c2ccsc2)cc1 742860657 BZAUTTGFLXBRAS-FPYGCLRLSA-N 286.352 3.932 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N[C@H](C#N)CC(C)C 591759409 MPCQXEJYYFUYJY-WBVHZDCISA-N 286.419 3.618 30 20 CHED COc1ccc(-c2noc(CC3(C#N)CCCCC3)n2)cc1 594732961 YHEGIFWLZKNFRA-UHFFFAOYSA-N 297.358 3.762 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)CC2(C)COC2)c1 744394421 AJMWDGXCADTBHM-UHFFFAOYSA-N 291.394 3.711 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 916244853 BMXXGTIMSBUKAF-UHFFFAOYSA-N 261.325 3.963 30 20 CHED C#CCCCOC(=O)Cc1coc2c(C)c(C)ccc12 918498726 XHXCQKKRZUNOOC-UHFFFAOYSA-N 270.328 3.549 30 20 CHED Cc1cc(C)cc(C2(C(=O)OCC3(CC#N)CC3)CC2)c1 744275388 DPPLMETVSMKHHF-UHFFFAOYSA-N 283.371 3.572 30 20 CHED Clc1ccc(NN=C/C=C\c2ccccc2)cn1 743449880 CCGVIWIBXCVRLK-HKWHNATCSA-N 257.724 3.846 30 20 CHED C[C@H](NN=Cc1cccc(O)c1Br)C(C)(C)C 841642472 RZUIQERTICLHEJ-VIFPVBQESA-N 299.212 3.513 30 20 CHED Cc1noc(CCCS[C@H](C)c2ccc(C#N)cc2)n1 592452345 KZDUTOZCVQETFH-LLVKDONJSA-N 287.388 3.677 30 20 CHED COCc1ccccc1C/N=C/c1cc(Cl)ccc1O 914557828 LYPTYUMOPIAYIJ-VCHYOVAHSA-N 289.762 3.811 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2cccc3ccsc23)C1 593642952 SSPIEBWBFVXHSU-BXUZGUMPSA-N 256.374 3.683 30 20 CHED Cc1cccc(-c2nnc(S[C@@H](C)CCC#N)o2)c1 591124349 GDWRAMWJOCJKBN-NSHDSACASA-N 273.361 3.829 30 20 CHED C=C(C)CNc1nnc([C@H](CC)c2ccccc2)o1 849161309 ICJXBIXHGRKNTK-CYBMUJFWSA-N 257.337 3.600 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccccc1 843643183 PZEFPWBUKOWGIF-HZPDHXFCSA-N 295.407 3.659 30 20 CHED C=C(C)[C@H](N[C@H](C)c1ncco1)c1ccc(F)c(F)c1 926205060 CIHTVWXNRLAVST-YGRLFVJLSA-N 278.302 3.921 30 20 CHED COc1cc(OC(=O)[C@H]2CCC(C)=C(C)C2)ccc1C#N 843584721 BVGOBHACSBAXLW-ZDUSSCGKSA-N 285.343 3.609 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 921264740 XYOGAEZROXBWHC-NTEUORMPSA-N 279.295 3.726 30 20 CHED CCn1ccnc1C=NNc1ccnc2cc(Cl)ccc12 755471737 LHOHQWCNWWIWRG-UHFFFAOYSA-N 299.765 3.551 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC2(CCCCC2)C1 680643395 BALCIEVHYAQFRG-AWEZNQCLSA-N 264.413 3.707 30 20 CHED C=CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccncc1 756583490 OFFSUBDHSHADKF-GUYCJALGSA-N 298.386 3.764 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)OCc1ccccc1C#N 920729527 QMMNQVPEHXQIGO-KBPBESRZSA-N 271.360 3.818 30 20 CHED C#CCCCC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 759200277 HSLYIZIKABAOBX-MRXNPFEDSA-N 283.415 3.807 30 20 CHED Cc1cc(CON=Cc2ccc(C(C)(C)C)cc2)nc(C)n1 853636417 CDRGXBRPXFGYEU-UHFFFAOYSA-N 297.402 3.942 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn(CC(C)C)c1CC 682383004 XOFSWZVUBLJLNL-MRXNPFEDSA-N 277.412 3.642 30 20 CHED COc1ccc(NN=Cc2ccc([C@H]3C[C@H]3C)o2)cc1 750945959 KEHNWCRIEKPHBU-ABAIWWIYSA-N 270.332 3.858 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(Cl)cc1)OCC 755431452 WVGNBMXAELRURG-CYBMUJFWSA-N 268.740 3.617 30 20 CHED CO[C@@H](C=NNc1ccccc1C(F)(F)F)C1CC1 853258505 RTGZFSJKXCQOLA-LBPRGKRZSA-N 272.270 3.528 30 20 CHED Cc1cnc(/C=C/C(=O)c2ccc3c(c2)CCCO3)s1 853010324 ATIILXLGRJPNQR-FNORWQNLSA-N 285.368 3.673 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1ccccc1C)OCC 756581586 WQKPYNZVBKUYGZ-ZBFHGGJFSA-N 276.376 3.971 30 20 CHED CCCc1csc(NC(=O)c2cc(C#N)ccc2C)n1 935184600 SCIZJAJRQSBPIG-UHFFFAOYSA-N 285.372 3.528 30 20 CHED CCCCO[C@H]1CC(=NO[C@H]2CCCCO2)C1(C)C 755821370 QWFKXWYEUNYMLU-KBPBESRZSA-N 269.385 3.501 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](c1ccccc1)c1cccnc1 931891803 VQULJMCGDNFFKA-KXBFYZLASA-N 294.398 3.890 30 20 CHED FC(F)(F)c1cccc(NN=CC[C@H]2CCOC2)c1 765549365 VLIJYQGUHYAWMU-JTQLQIEISA-N 272.270 3.530 30 20 CHED N#CCC1(CNC(=O)CCc2cccc3ccccc23)CC1 867977739 PCLHZVCURBCNQM-UHFFFAOYSA-N 292.382 3.582 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(F)c2occc12 930902787 WATCPJRAPVPHJZ-UHFFFAOYSA-N 288.322 3.584 30 20 CHED CCC(C#N)(CC)C(=O)OCCCSCC(C)C 860197391 BJUIJAMOLAXBLH-UHFFFAOYSA-N 271.426 3.639 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 935787144 JBQUOJRDPHQRAP-OLUVUFQESA-N 297.320 3.678 30 20 CHED COc1cc(F)cc(NN=Cc2cc(C)sc2C)c1 760259368 GJRKTMMJYJVSQC-UHFFFAOYSA-N 278.352 3.959 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(C)cc1O 764443251 WTWFMIBBUTVZRD-WAYWQWQTSA-N 274.341 3.667 30 20 CHED Cc1ccc(C=Nn2c(S)nnc2C(C)C)cc1Cl 766430914 DGNLJIIGTCDVSV-UHFFFAOYSA-N 294.811 3.534 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@](C)(C(=O)OC)C1 760042128 FEIFFHLEHLGKGN-QGZVFWFLSA-N 297.439 3.539 30 20 CHED CC(C)[C@@H](C#N)C=NNc1ccccc1C(F)(F)F 1116348406 WHLAZBKJFZVZEA-JTQLQIEISA-N 269.270 3.899 30 20 CHED N#C[C@H](OC(=O)c1ccc(F)c(F)c1F)C1CCCCC1 776396738 JPEWIZIKRGJKQB-LBPRGKRZSA-N 297.276 3.733 30 20 CHED C[C@@H](COc1ccccc1F)N[C@H](C)c1cccc(C#N)c1 1116488343 PSDSLOCUFYPARL-UONOGXRCSA-N 298.361 3.815 30 20 CHED N#CCOc1cccc(NCc2cnc(C3CCC3)s2)c1 779588373 LNROSIJJXJSZOO-UHFFFAOYSA-N 299.399 3.925 30 20 CHED C#CCCCCCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 779806840 IPOJLBBDRCNNEL-UHFFFAOYSA-N 294.398 3.633 30 20 CHED Cc1cccc(OC[C@H](O)c2ccc(C#N)cc2)c1Cl 773574131 UUVBNZDJXJRMOD-AWEZNQCLSA-N 287.746 3.633 30 20 CHED C#CCCCCCC(=O)Oc1ccc(OC(C)C)cc1 779948783 FPAGWJFNRBEYGF-UHFFFAOYSA-N 274.360 3.963 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1ccccc1Cl 776362724 RNXXHVRYKFJJIY-UHFFFAOYSA-N 279.767 3.756 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)CCCC(F)(F)F 879753805 HQPOQBJFOAOKQB-JTQLQIEISA-N 265.319 3.826 30 20 CHED CCCCCCCNCc1ccc2c(c1)CCC(=O)N2C 775300752 PDJHIEYSMMPNSX-UHFFFAOYSA-N 288.435 3.656 30 20 CHED C(=Nn1cnc2ccccc21)c1ccccc1N1CCCC1 1115817409 ZDJDFYRJLMRDIV-UHFFFAOYSA-N 290.370 3.519 30 20 CHED C=C(CC)COC(=O)c1ccc(C(F)(F)F)nc1C 773480065 GRGZNROCADOFSO-UHFFFAOYSA-N 273.254 3.532 30 20 CHED C=CC(C)(C)CNCc1sc(N2CCCCC2)nc1C 1117789307 IGCQBROCXRWVQG-UHFFFAOYSA-N 293.480 3.744 30 20 CHED N#Cc1ccc(-c2nnc(C3=CCCCC3)o2)cc1 1118139169 UCBNDULBAOHIHU-UHFFFAOYSA-N 251.289 3.566 30 20 CHED N#CC1(COC(=O)c2cc3cc(F)ccc3s2)CC1 775831149 IEIPUNFZFQXPKS-UHFFFAOYSA-N 275.304 3.501 30 20 CHED COc1ccc(C#N)cc1COC(=O)CC1=CCCCC1 772271955 LALFXBQRHWCKDD-UHFFFAOYSA-N 285.343 3.501 30 20 CHED C=C(CC)COC(=O)c1cccnc1SC(F)F 773455126 WMPVGQNSZHKJDX-UHFFFAOYSA-N 273.304 3.519 30 20 CHED N#Cc1cc(/C=C2/Oc3c(Cl)cccc3C2=O)ccc1F 770573891 VSBBVBOWMVFLIY-VGOFMYFVSA-N 299.688 3.967 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)Oc2cc(F)ccc21 773171953 KXCMZJIOYZOCGR-AWNIVKPZSA-N 276.213 3.720 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCCCOC(C)(C)C 779742796 KHZISNHBDNWHRI-ZDUSSCGKSA-N 276.380 3.595 30 20 CHED CCc1nn(C)cc1C=NNc1cc(Cl)ccc1Cl 770605611 PEMAZBONRCWZDY-UHFFFAOYSA-N 297.189 3.735 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CC(F)(F)C(F)(F)F 1120733431 NLOQUYFNSYQOCQ-SECBINFHSA-N 285.256 3.531 30 20 CHED CCCCOCC(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1123009327 KCLZSYOFPFRIFW-WFASDCNBSA-N 295.404 3.699 30 20 CHED CSc1ccccc1COC(=O)C1(C#N)CCCCC1 781238425 KCYMGSOVTFNHDC-UHFFFAOYSA-N 289.400 3.926 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1ccc(OC)c(C#N)c1 880880350 QRMPERDDSIFQQQ-GFCCVEGCSA-N 289.379 3.609 30 20 CHED C=C(Br)CN[C@H]1CC[C@@H](Cc2ccccc2)C1 780522699 INVABLUYLXBSCZ-GJZGRUSLSA-N 294.236 3.896 30 20 CHED N#CC1(C(=O)OCCCc2ccsc2)CCCCC1 782675189 OFFDYHRENCSAID-UHFFFAOYSA-N 277.389 3.698 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 780276733 LIQONGGBLORUDK-OLZOCXBDSA-N 289.341 3.760 30 20 CHED C#CCC1(C(=O)NC[C@@H]2CCc3ccccc32)CCCCC1 788214386 PXECROQEPPINQS-KRWDZBQOSA-N 295.426 3.806 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc(CCC(=O)OC)c1 786578976 ZNHDVUFSWINBDT-KBPBESRZSA-N 275.392 3.805 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](C)C2(CCC2)C1 780728765 WBGMOJITLBCWQM-HNNXBMFYSA-N 261.409 3.609 30 20 CHED N#CCc1ccc(COC(=O)c2cccc3[nH]ccc23)cc1 785181292 CSKOSSIFFNHALH-UHFFFAOYSA-N 290.322 3.591 30 20 CHED CCc1ccc(C(C)=NNc2ncncc2Cl)s1 780282988 NIMKMNUAQUHECS-UHFFFAOYSA-N 280.784 3.590 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(OCC(C)C)cc2)n(C)n1 789159373 MJHXIXFRJYOJEG-JXMROGBWSA-N 298.386 3.659 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NNc2ncc(F)cn2)C1 780237633 SZLKQHLIEJGZTH-MRXNPFEDSA-N 284.338 3.525 30 20 CHED Cc1cc(C)c(C(=O)OCc2ccc(C#N)cc2Cl)o1 784230770 RMKNFIOYYKZPEO-UHFFFAOYSA-N 289.718 3.779 30 20 CHED Cc1cc(COC(=O)CC(C)(C)C#N)ccc1Cl 784697763 LORWCSIZKFBRCR-UHFFFAOYSA-N 265.740 3.632 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@]34CCc3ccccc34)n2)C1 896882382 KDPOIKHBRYGMMZ-YJBOKZPZSA-N 278.355 3.875 30 20 CHED C#CCCCCCC(=O)Nc1cc2[nH]ccc2cc1C 781538935 GFBYDXVSLMONEO-UHFFFAOYSA-N 268.360 3.999 30 20 CHED Cc1ccc2c(c1)CCN2Cc1ccc(O[C@H](C)C#N)cc1 780768589 BAMAJCQZIZAMHP-OAHLLOKOSA-N 292.382 3.849 30 20 CHED COc1ccc(NN=C(C)c2oc3ccccc3c2C)nc1 780269191 QDTJMMVWPYEJEN-UHFFFAOYSA-N 295.342 3.981 30 20 CHED CCCCNN=C1CCCCC[C@H]1NC(=O)OC(C)(C)C 783826225 BVDLRSWUVHIEET-CYBMUJFWSA-N 297.443 3.590 30 20 CHED C=CC1(OC(=O)Cc2csc(-c3ccc(C)o3)n2)CC1 893365140 HRWZWZQRNWBDOA-UHFFFAOYSA-N 289.356 3.516 30 20 CHED Cc1ccc(C2CC(=NN[C@H](CO)c3ccccc3)C2)cc1 788470394 XCAWHYOPFBYOEG-WHCXFUJUSA-N 294.398 3.552 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 891244211 DHAKHJPYMRFVRX-LBPRGKRZSA-N 288.347 3.518 30 20 CHED CC/C(C)=C(\C)C(=O)OCc1cn2ccccc2c1C#N 780221340 BSVNVYSKJDTRPS-OUKQBFOZSA-N 282.343 3.601 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc2ncccc2c1 785760446 BYEQQIHUEYHDBZ-QGZVFWFLSA-N 269.344 3.880 30 20 CHED Fc1cc(NN=Cc2ccc(Cl)cc2Cl)ccn1 781133875 WFDVQFRZVNHZHZ-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C=CC[C@@H](CC)NCc1cnc(CC(F)(F)F)s1 894234590 VIHPVUHHHSUUAH-SECBINFHSA-N 278.343 3.692 30 20 CHED CC[C@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1 78248322 FEQLTGIZAVRQOD-HNNXBMFYSA-N 271.364 3.549 30 20 CHED COc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1OC(C)C 799723609 NXMIXTFPONJCMQ-CHWSQXEVSA-N 274.364 3.587 30 20 CHED C=C1CCC(c2nc(Cc3cn4ccccc4n3)no2)CC1 895974066 LCHNBYDISSBPCU-UHFFFAOYSA-N 294.358 3.522 30 20 CHED C[C@H](CSC(C)(C)C)Nc1cccc(OCC#N)c1 272972582 SGWNMSXFNJVQLG-GFCCVEGCSA-N 278.421 3.921 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(C)c1C)C(C)C 798551675 BFZRDCWGCSOGKW-QZTJIDSGSA-N 298.430 3.808 30 20 CHED N#Cc1cc(Br)ccc1NC1CC(F)(F)C1 276947845 BKOPOCXASDZJRT-UHFFFAOYSA-N 287.107 3.530 30 20 CHED C[C@@H](CC#N)N[C@H](C)c1cc(Cl)ccc1Cl 187526738 UOISECMVZGPXIU-DTWKUNHWSA-N 257.164 3.946 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2ccc(C#N)cc2)CC1 574990312 SSVOMJKZBIILJG-AWEZNQCLSA-N 254.333 3.633 30 20 CHED C=CCN(CCC#N)C(=S)Nc1ccc2ccccc2c1 793245537 ARVGKJDWKNMECD-UHFFFAOYSA-N 295.411 3.938 30 20 CHED C=CCOc1ccc(OC(=O)c2ncccc2Cl)cc1 796936604 YKRNZSLKEURHMT-UHFFFAOYSA-N 289.718 3.519 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](C)Sc1ccccc1Cl 791202279 HQTPHXBIWPMNHI-VXGBXAGGSA-N 295.835 3.739 30 20 CHED CCCCCOC(=O)C[C@@H](CC#N)c1ccccc1 795980406 GUSVVMCBCWMMDD-OAHLLOKOSA-N 259.349 3.807 30 20 CHED Oc1ccccc1/C=N/CCCCc1ccccc1 798068393 JWGVWDWWNCRQSD-NBVRZTHBSA-N 253.345 3.834 30 20 CHED COCc1csc(CN[C@@H](C)c2ccc(C#N)cc2)c1 594725383 JTVIGMFRJTUZOR-LBPRGKRZSA-N 286.400 3.617 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1 85069466 IBKUUMUXXGIZDK-KBPBESRZSA-N 262.397 3.545 30 20 CHED C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C 92090711 BZFHYGBFBAESKQ-NXEZZACHSA-N 268.282 3.669 30 20 CHED C=CCCCOC(=O)c1cc(Cl)ncc1Cl 781364888 NIVJDQPSGPCKHQ-UHFFFAOYSA-N 260.120 3.511 30 20 CHED N#Cc1csc(CNc2cccc(-c3ccn[nH]3)c2)c1 93687014 PKYCCUVZJQDIDX-UHFFFAOYSA-N 280.356 3.622 30 20 CHED CCCCCCCN1CCC2(CCCN2C)CC1 784253901 FBDUUQRKRGGGEL-UHFFFAOYSA-N 252.446 3.517 30 20 CHED CC[C@H](C)[C@@H](CN(Cc1ccc(C#N)cc1)C(C)C)OC 1308571131 PLMLYCQYWFTZBE-MAUKXSAKSA-N 288.435 3.830 30 20 CHED Cc1nc(NC2(C)Cc3ccccc3C2)c(Cl)cc1C#N 1162843784 LRFYYQTTXWLVNO-UHFFFAOYSA-N 297.789 3.885 30 20 CHED Cc1cccc2c1CCN2c1nc(C)c(C#N)cc1Cl 1163968562 QGLXLILXGHJCPU-UHFFFAOYSA-N 283.762 3.918 30 20 CHED C=CCn1cnnc1SCc1csc(CCCC)n1 1317822188 GUTSFWXCXYDOMQ-UHFFFAOYSA-N 294.449 3.556 30 20 CHED Cc1nc(NCC2(C)CCC(C)CC2)ccc1C#N 1639874854 QFQUQTUDLHHRNB-UHFFFAOYSA-N 257.381 3.890 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H](C)OC1CCCCC1 1328348954 MVHPQNGNWDPBAN-HNNXBMFYSA-N 294.439 3.513 30 20 CHED Cc1cc(C(=O)/C=C/c2cccnc2N(C)C)c(C)s1 1323089513 ZAMRFAPEAXBPEI-BQYQJAHWSA-N 286.400 3.722 30 20 CHED C#CCCCc1nnc([C@@H](CC)c2ccccc2)o1 1327042846 SAQUHGWNDULOIU-AWEZNQCLSA-N 254.333 3.567 30 20 CHED COc1ccc(C=NOC(C)(C)C)cc1OCCCC#N 1323131194 GYQSBGXOUFXHDN-UHFFFAOYSA-N 290.363 3.527 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1c1cccc(CC#N)n1 1320656427 RQVSWSBZHUPYKB-GOEBONIOSA-N 277.371 3.530 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc(Cl)c(Cl)cc1O 1339276205 OJRWJYYOXUSJNA-IUCAKERBSA-N 290.190 3.551 30 20 CHED N#Cc1nc(N2CCc3cc(F)ccc32)sc1Cl 1186260108 ZQJAUNHSLQMIEC-UHFFFAOYSA-N 279.727 3.501 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1N=S(C)(C)=O 1331829886 FHBYLFXGUFXCJU-UHFFFAOYSA-N 294.420 3.587 30 20 CHED N#Cc1cccc(-c2nnc(/C=C/c3cccs3)o2)c1 1331731582 WLDOSGLEECCUHJ-VOTSOKGWSA-N 279.324 3.840 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc(N2CCC[C@H]2C)n1C 1262911470 AFOXDPXQOQLORU-GDBMZVCRSA-N 296.418 3.512 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)Oc2c(F)cccc21 1193526870 MNRXTXQFAQWXEV-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED N#C[C@H](C(=O)[C@@]12CCC[C@@H]1C2)c1ccc2ccccc2n1 1345961176 BFKUGSUSPREQFX-QWQRMKEZSA-N 276.339 3.601 30 20 CHED C=C(CC)C(=O)NCc1ccc(Cl)cc1Cl 1348424493 MXHKUOOTYASDNA-UHFFFAOYSA-N 258.148 3.576 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC1(c2ccccc2)CCC1 1353957003 ZLYTYTJYQLRCBG-UHFFFAOYSA-N 290.366 3.676 30 20 CHED COCC1(CN[C@@H](C)CC(C)(C)C#N)CCCCC1 926454889 FPCLPLFKBLDAGT-AWEZNQCLSA-N 266.429 3.501 30 20 CHED Cc1cc(F)c(COC(=O)c2sccc2C#N)cc1F 1272522171 QEALZICRHISHJK-UHFFFAOYSA-N 293.294 3.563 30 20 CHED CCCC1(CNC2CC(C#N)(c3ccccc3)C2)CC1 219199912 GJVLWKWVFORUFN-UHFFFAOYSA-N 268.404 3.780 30 20 CHED N#Cc1ccc(F)c(NC(=O)C2CCCCCCC2)c1 1528040626 NGNSUMRKVUIJSI-UHFFFAOYSA-N 274.339 3.996 30 20 CHED N#C[C@H](C(=O)CCC1CCCCC1)c1cccc(F)n1 1524705141 NWXQBPBVJGZTFG-ZDUSSCGKSA-N 274.339 3.757 30 20 CHED CC1(CC(=O)Nc2cc(C#N)ccc2F)CCCCC1 1525019406 ZEAVALBMWDYHFR-UHFFFAOYSA-N 274.339 3.996 30 20 CHED C=CCSCCNCc1ccccc1OC(F)(F)F 222059609 IJUFNHBYQOZHOY-UHFFFAOYSA-N 291.338 3.594 30 20 CHED C=CCN(CC=C)[C@@H](C(=O)O)c1cccc2ccccc12 211676119 RTWOTPSXBOSTEO-QGZVFWFLSA-N 281.355 3.640 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@@H]3F)c2C#N)[C@H](C)C1 1523484343 TYOSTIFJJWSQOR-PUJIEXKFSA-N 292.379 3.602 30 20 CHED N#Cc1ccccc1COc1ccc(Cl)c([N+](=O)[O-])c1 114636518 OEXBBDJZJSRTBU-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C[C@@H](CNC(=O)Nc1cc(F)cc(C#N)c1)C(C)(C)C 1563172484 JXWBMXPBHIIBMP-JTQLQIEISA-N 277.343 3.501 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 1631629712 CVVXPACBRLPKOE-UHFFFAOYSA-N 298.390 3.739 30 20 CHED C=C(CNC(=O)NCCC(C)(C)C1CC1)c1ccccc1 1564841699 FRIQITOMPUMZRS-UHFFFAOYSA-N 286.419 3.825 30 20 CHED C=C(CNC(=O)NC[C@H]1CCC[C@@H]1C1CC1)c1ccccc1 1564882077 KGNZFXCGXIYYGT-QZTJIDSGSA-N 298.430 3.825 30 20 CHED C#C[C@H](CC)NCc1ccc(Br)c(Cl)c1 229895665 OIOYQXMOROKAOI-SNVBAGLBSA-N 286.600 3.604 30 20 CHED Cc1cc(C)nc(SCCOc2ccc(C#N)cc2)c1 229851866 VOYKBKSMQBYSIQ-UHFFFAOYSA-N 284.384 3.741 30 20 CHED CC(C)CCN(CCC#N)C(=O)O[C@H](C)CC(C)C 1654058946 MLBFKUWEIUPMDT-CQSZACIVSA-N 268.401 3.819 30 20 CHED Cc1cc(NCc2coc3ccccc23)ncc1C#N 1655505281 YGMLPJHLPZEYKS-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC=C(Cl)C1 1654081485 YCGNUHZQSCZRIN-UHFFFAOYSA-N 274.795 3.816 30 20 CHED C=CCCCC(=O)N(c1ccccc1C(=O)O)C1CCC1 1588782652 XVWBIQHGNYLGQX-UHFFFAOYSA-N 287.359 3.627 30 20 CHED N#Cc1ccc(C2CCN(CCCC3CC3)CC2)cc1 1660382007 NVWXMYLZYHWCNA-UHFFFAOYSA-N 268.404 3.928 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)Nc1cc(C#N)c(F)cc1F 1673966842 CTFFVXDFZURGLC-TVQRCGJNSA-N 293.317 3.537 30 20 CHED Cc1cccc(N(C)C(=O)Nc2sccc2C#N)c1C 1671449261 CKPNGSSTPWRMRS-UHFFFAOYSA-N 285.372 3.905 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1ccc(CC(=O)O)cc1 1776084870 UIAZUCAMJIRXCN-OCCSQVGLSA-N 288.391 3.928 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CCC[C@H](C(=O)O)C1 1776786726 FSWPHEDHIJUBND-GJZGRUSLSA-N 297.439 3.696 30 20 CHED C=CCCC[C@@H](NCc1ccccc1C(C)(F)F)C(=O)O 1776207264 IRLPWNUVBXODQZ-CQSZACIVSA-N 297.345 3.697 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CCCCCCC1 1776049651 NUEZRCCEGXVBEV-UHFFFAOYSA-N 290.363 3.906 30 20 CHED C[C@@H]1/C(=C/c2csc(C(=O)O)c2)C(=O)c2ccccc21 1777407790 GQDQKJYZSINFJV-FVNYMESBSA-N 284.336 3.830 30 20 CHED Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1C 5558672 VUGIHTKMZFLIQX-AWEZNQCLSA-N 294.354 3.581 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 5591483 JGGOIDHPUMWTJN-VIFPVBQESA-N 250.729 3.586 30 20 CHED C=C(Cl)CSCc1nc([C@H](C)SCC)no1 162604156 DWGMPPMUBCXOTK-QMMMGPOBSA-N 278.830 3.869 30 20 CHED CCN(CC#N)C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 160093097 NTUYALWHCSXQRK-HOTGVXAUSA-N 294.439 3.514 30 20 CHED CC1(C)CN(C(=O)N[C@H](CCC#N)c2ccccc2)C1(C)C 160538580 PATIPPAYQBZUKX-OAHLLOKOSA-N 299.418 3.861 30 20 CHED Cc1ccc2ncc(/C=C3/Cc4cc(F)ccc4C3=O)n2c1 151427511 UTMLZFGCSLWCPP-JYRVWZFOSA-N 292.313 3.604 30 20 CHED CCn1nccc1/C=C/C(=O)c1cccc(C(F)(F)F)c1 152593832 NQMLMXYHUUWKPZ-VOTSOKGWSA-N 294.276 3.818 30 20 CHED C[C@@H](OC1CCCCCC1)C(=O)Nc1sccc1C#N 157385901 LTUVFHWLEIFPMN-LLVKDONJSA-N 292.404 3.686 30 20 CHED CN(C(=O)c1ccc(Cl)cc1F)c1ccccc1C#N 128665241 CNSRJTJQJOZUDL-UHFFFAOYSA-N 288.709 3.627 30 20 CHED N#CCN(Cc1ccc(Cl)cc1Br)C1CC1 72960823 OUQJEUZRFQINKF-UHFFFAOYSA-N 299.599 3.590 30 20 CHED FC(F)C(F)(F)CNCc1cccc(C(F)(F)F)c1 20518486 MHMAGJFRWGXLQH-UHFFFAOYSA-N 289.194 3.695 30 20 CHED N#CCCCOc1cccc(NC2CCSCC2)c1 37777459 VZTYJQMPXWKBJE-UHFFFAOYSA-N 276.405 3.677 30 20 CHED CC(C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 44351066 YBTSRMQWNYIJFA-UHFFFAOYSA-N 290.672 3.847 30 20 CHED C=CCCCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 311679635 BCMZFSISIBHFQC-OAHLLOKOSA-N 262.353 3.992 30 20 CHED N#CCCCOc1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 312862627 YPPOOUSKXQKBOC-IAOVAPTHSA-N 270.376 3.970 30 20 CHED Cc1csc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)n1 80274355 OSZIVEHSKDQJFP-NEPJUHHUSA-N 271.389 3.735 30 20 CHED CCCc1sc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1CC 331096131 LSXJTIGLSHEZDU-QWHCGFSZSA-N 290.432 3.685 30 20 CHED CC1(C)CN(Cc2ccccc2C#N)[C@H]2CCC[C@H]21 378854203 XHLOLSPRBBZLRC-CVEARBPZSA-N 254.377 3.569 30 20 CHED CCCCCCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 713566766 USZPLZWKJNSAHC-KFWWJZLASA-N 251.414 3.504 30 20 CHED N#C[C@H]1CCCN(Cc2cc3ccccc3nc2Cl)C1 693951257 MEXLSZUDCWSJOY-GFCCVEGCSA-N 285.778 3.624 30 20 CHED C=CCN(CC[C@@H](O)c1ccccc1)Cc1ccccc1 795854060 ITIZBRSEIFTBSL-LJQANCHMSA-N 281.399 3.798 30 20 CHED CON=C(C)c1ccccc1OCc1ccccc1 767491565 NGTLKAUYGSGORD-UHFFFAOYSA-N 255.317 3.636 30 20 CHED COCCCOc1ccccc1NCc1ccc(C#N)cc1 105398318 LFJZQIKIEIGZSP-UHFFFAOYSA-N 296.370 3.586 30 20 CHED CCOc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1F 56346258 DMAJWGZUYLIPPC-UHFFFAOYSA-N 299.305 3.740 30 20 CHED CCCC(CCC)=NNS(=O)(=O)c1cc(C)ccc1C 8084805 AUUVTOAFTGFJQL-UHFFFAOYSA-N 296.436 3.538 30 20 CHED Cc1ccc(CNCC2(C#N)CCC2)cc1Br 418143742 QTSHLANLSOLKLF-UHFFFAOYSA-N 293.208 3.541 30 20 CHED Cc1ccc(OCC2(C#N)CCC2)c(Br)c1 418818357 IXVBDAJXJORDOR-UHFFFAOYSA-N 280.165 3.830 30 20 CHED COCc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 174430762 IPCNGSBGFSJDOY-AWEZNQCLSA-N 280.371 3.555 30 20 CHED C=CCN(Cc1nc(C(C)C)no1)Cc1ccccc1F 56312593 AXIZCLBKGQNHCM-UHFFFAOYSA-N 289.354 3.520 30 20 CHED C=CCN1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 58572170 QXLJCMSQMNLGEX-AWEZNQCLSA-N 299.414 3.832 30 20 CHED CCCCCCC(=O)N[C@H](C#N)C1CCCCC1 176578695 MDSSLIYPNSPNTC-CQSZACIVSA-N 250.386 3.545 30 20 CHED C[C@@H]1CCC[C@@H](Nc2ncc(Br)cc2C#N)C1 310067919 CEWIMWSBCVIIHU-BXKDBHETSA-N 294.196 3.706 30 20 CHED N#CCCSc1nccn1-c1ccc(C(F)(F)F)cc1 111382572 VHGGADROMCFAKH-UHFFFAOYSA-N 297.305 3.897 30 20 CHED C#CCCCN[C@@H](C)CC(=O)Nc1ccccc1C(C)C 178054855 NNPNCYZZEBAFMW-HNNXBMFYSA-N 286.419 3.530 30 20 CHED Cc1ccc(N/C(N)=N/Cc2ccccc2C)cc1C 303768610 ALPSGDSVSMQFQJ-UHFFFAOYSA-N 267.376 3.539 30 20 CHED CC[C@H](C)CSc1cc(C#N)ccc1[N+](=O)[O-] 302229349 XTQAIGFXOPMRPA-VIFPVBQESA-N 250.323 3.605 30 20 CHED C=CCOc1ccc(CNCC(C)C)cc1Cl 62730388 XPASOZNQYGUCQP-UHFFFAOYSA-N 253.773 3.650 30 20 CHED C=CCCC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 60365205 COYICFSXTSNFBV-OAHLLOKOSA-N 257.377 3.882 30 20 CHED CCCCCCC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 116811737 BYAVLASUQPWNGE-ZFWWWQNUSA-N 250.386 3.545 30 20 CHED COc1ccc(Sc2cc(C#N)ccc2[N+](=O)[O-])cc1 302230531 YHZYQFCEIBDCBQ-UHFFFAOYSA-N 286.312 3.626 30 20 CHED C=C(C)Cn1c(N2CCC(C)=C(C)C2)nnc1C(C)(C)F 1263318348 HEROTDCMBUDSEF-UHFFFAOYSA-N 292.402 3.605 30 20 CHED O=C1/C(=C\c2ccc(O)cc2)CCc2cc(F)ccc21 176940960 UIIQKHPTLWRJMY-LCYFTJDESA-N 268.287 3.744 30 20 CHED CC[C@H](C)Oc1ccc(Nc2cccc(C#N)n2)cc1 301877896 YSYTZWAUTCMZJL-LBPRGKRZSA-N 267.332 3.874 30 20 CHED CCC(=CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)CC 128979121 KEEOZPLBRHCLNV-AWEZNQCLSA-N 276.767 3.767 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)Cc1cc(Cl)ccc1Cl 122322564 UWWDXTJTNYERCA-LBPRGKRZSA-N 299.201 3.590 30 20 CHED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1c(C)noc1C 182080700 JRMZADDBVBWKSP-ZBEGNZNMSA-N 283.375 3.965 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 33927539 SFJWGZZCTJKFEE-KMKOMSMNSA-N 271.247 3.630 30 20 CHED N#Cc1ccccc1OCCOc1ccc2ncccc2c1 181606835 IRCBAYGCRBFPLI-UHFFFAOYSA-N 290.322 3.564 30 20 CHED CSCCCSc1nc2c(c(C)c1C#N)CCC2 78948758 GUCWMIUYNXBYJL-UHFFFAOYSA-N 278.446 3.596 30 20 CHED O=C(NCC#Cc1ccccc1)Nc1ccccc1Cl 79086479 RSEVQANELKYVJW-UHFFFAOYSA-N 284.746 3.513 30 20 CHED CC(C)(C)c1csc(NC(=O)[C@@H]2CC2(F)F)c1C#N 410932567 UPJYTXABEMEKGQ-QMMMGPOBSA-N 284.331 3.511 30 20 CHED CCC[C@@H]1C[C@H](C(=O)N(CCC#N)C(C)(C)CC)CCO1 189908393 NPRYSLNETCNNHR-HUUCEWRRSA-N 294.439 3.513 30 20 CHED C#CCCCCC(=O)Nc1nc2c(C)c(F)ccc2s1 120269112 XLCVWXHFUCFHTI-UHFFFAOYSA-N 290.363 3.876 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc2[nH]cnc12)c1ccccc1 189690190 CXARQZCPNARJNF-CQSZACIVSA-N 291.354 3.861 30 20 CHED COc1cc(/C=C2/Cc3ccccc3C2=O)cc(OC)c1 212564393 NDPCIXWKTXJJFJ-AUWJEWJLSA-N 280.323 3.526 30 20 CHED CCC[C@@H]1C[C@H](C(=O)NC(C#N)(CCC)CCC)CCO1 181006097 RYZXTZCIKGPLLT-HUUCEWRRSA-N 294.439 3.560 30 20 CHED CC#CCCCC(=O)NCc1ccc(C(F)(F)F)cc1C 189830660 LPHIWUGSHWVWTO-UHFFFAOYSA-N 297.320 3.824 30 20 CHED Cc1cnc([C@@H](C)NCCCCC(C)(C)C#N)s1 235193850 ZFLLOILIHYFJNU-GFCCVEGCSA-N 265.426 3.822 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(C#N)cc2)s1 121054777 BUPLZODTHXORPQ-LLVKDONJSA-N 299.399 3.681 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])o1 76851895 UNIRRIBTTWVMQN-GWCFXTLKSA-N 297.314 3.795 30 20 CHED CC[C@H](CN(CC)C(=O)C(C)(C)C#N)c1ccccc1 187405904 CJEYBLMIGUPNFQ-CQSZACIVSA-N 272.392 3.578 30 20 CHED C[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@@H]1c1ccccc1 172789152 XHQHNAKMKDLLTE-ABAIWWIYSA-N 283.762 3.804 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 79714040 PQKZYPNBBAJEDS-ZIAGYGMSSA-N 286.375 3.720 30 20 CHED C=CCn1c(SCc2ccncc2)nc2ccccc21 78745769 SAQDMDKYQKBXMG-UHFFFAOYSA-N 281.384 3.910 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(F)c1C 414056371 PUKMJPZQHMSGAL-AWEZNQCLSA-N 253.292 3.814 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc(OC(F)F)cc1 122359502 QYIIVIHGLHHBTL-UHFFFAOYSA-N 297.345 3.645 30 20 CHED Cc1ccc2c(OCC3(C#N)CCC3)cccc2n1 418944520 KEQTZKYZOCOSOO-UHFFFAOYSA-N 252.317 3.616 30 20 CHED C[C@H](SCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 185098407 YMIXHXIPDDMCHR-NSHDSACASA-N 277.389 3.694 30 20 CHED C=CCC[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccccc1 181507932 NJRZAHCHFXBFHW-UAGQMJEPSA-N 259.393 3.709 30 20 CHED N#Cc1cccc(OCc2csc(-c3ccoc3)n2)c1 78565711 ULUSYRMLLFIRRO-UHFFFAOYSA-N 282.324 3.854 30 20 CHED CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 509223153 JOUMBRYKJBEBIP-ZDUSSCGKSA-N 293.370 3.605 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 75297805 JMNXILQRGOMMRU-KSZLIROESA-N 294.398 3.641 30 20 CHED CC[C@H](SCC1(C#N)CCC1)C(=O)OC(C)(C)C 419591198 XHLYEVMOHXPXGM-NSHDSACASA-N 269.410 3.534 30 20 CHED CC(C)Oc1cccc(CN(C)c2ncc(C#N)cc2F)c1 413202369 MRJHFXCFFGGHRA-UHFFFAOYSA-N 299.349 3.516 30 20 CHED C=CCNc1ncc(C(=O)Nc2ccc(C)cc2C)s1 136051404 DVISPLUFKYSGOO-UHFFFAOYSA-N 287.388 3.610 30 20 CHED C=CCCN1C[C@H](c2ccccc2Cl)OC[C@@H]1C 133064817 KNDWASDWPTWQDW-SWLSCSKDSA-N 265.784 3.678 30 20 CHED C=C(C)CN(C)C(=O)c1c[nH]cc1-c1ccc(C)s1 187605413 UWTQGTUJIRJLTG-UHFFFAOYSA-N 274.389 3.700 30 20 CHED N#Cc1ccc(NC[C@H]2OCCc3ccccc32)cc1Cl 70987939 PPTHOEYBWMYWMA-QGZVFWFLSA-N 298.773 3.938 30 20 CHED C[C@H]1CC(C(=O)N2CCc3ccc(C#N)cc32)C[C@H](C)C1 503351798 WWCVTJNBVOEWPY-CHWSQXEVSA-N 282.387 3.520 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(C(F)(F)F)cc1 503650406 SEBNSBWUXYZYIP-AWEZNQCLSA-N 298.308 3.764 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1F 189347359 FKLQUJWQUPHKHC-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C=CCC1(c2nc(C3(N)CCCC3)no2)CCCCC1 414629638 RIIXGPJHYVLCNX-UHFFFAOYSA-N 275.396 3.576 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)[nH]1 133632748 OCGZFXIAZQCVEU-MRXNPFEDSA-N 299.418 3.851 30 20 CHED C=CCC[C@@H](NC(=O)CCCCOC)c1ccccc1 133723744 SFUYRRQSMQKSGA-MRXNPFEDSA-N 275.392 3.627 30 20 CHED C=C1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 411279869 QWRGLOASFJJEQV-UHFFFAOYSA-N 272.323 3.633 30 20 CHED CCCSCC(=O)Nc1scc(C(C)(C)C)c1C#N 410923773 CNZLMEWISOXDOT-UHFFFAOYSA-N 296.461 3.999 30 20 CHED CC(C)(CCC#N)CNc1ccc(Br)nc1 134603431 HVANVTMOEIUBQE-UHFFFAOYSA-N 282.185 3.586 30 20 CHED N#Cc1ccc(CN[C@H]2CCOC3(CCCCC3)C2)s1 136736199 KFAIFDCIADUYSF-ZDUSSCGKSA-N 290.432 3.591 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccccc2)cc1 45944692 CTOACUMJKMACDW-HNNXBMFYSA-N 265.356 3.549 30 20 CHED C#CCCCC(=O)Nc1ccc(C)cc1OCC(F)(F)F 192227244 VBVISUZHGUMNAG-UHFFFAOYSA-N 299.292 3.678 30 20 CHED C[C@@H]1CCCCN1CCC1CCN([C@H](C)CCC#N)CC1 411350612 SGQUCFVWBHJBBS-IAGOWNOFSA-N 291.483 3.655 30 20 CHED CCN(Cc1ccc(Cl)c(Cl)c1)C[C@H](C)C#N 42324029 VMGZTSABXMRQHI-SNVBAGLBSA-N 271.191 3.975 30 20 CHED C=CCOc1ccc(CN2CC[C@@H]3CCC[C@@H]32)cc1OC 428456408 HSJIRDNSECGNQJ-HOTGVXAUSA-N 287.403 3.634 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(-c2cccs2)nc1C 89527449 ISSBITZEQGPGMQ-LBPRGKRZSA-N 299.399 3.541 30 20 CHED CC1(C)CC(NC(=O)c2cccc(C#N)c2)CC(C)(C)C1 130980670 YCBZIFUOMJTRJO-UHFFFAOYSA-N 284.403 3.893 30 20 CHED C=C[C@](C)(CC)C(=O)N=c1cc(C)n(C2CCCCC2)[nH]1 519734637 KWOLQBGNXRODIJ-QGZVFWFLSA-N 289.423 3.659 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](C)Oc1ccccc1Cl 424699055 VCKWBTVGGPWIQJ-GFCCVEGCSA-N 295.810 3.826 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1ccc2c(c1)COC2 421879564 NISMWGQEFHGQIB-NSHDSACASA-N 284.384 3.501 30 20 CHED CC1(C)CC[C@@H](/N=C(/O)c2cnc3cnccc3c2)C1 328781158 JJFWYJXCSVABJO-CYBMUJFWSA-N 269.348 3.513 30 20 CHED C=C(C)CNC(=S)Nc1ccc(O[C@H](C)CC)cc1 138731088 UEYIZZFVVNHUCG-GFCCVEGCSA-N 278.421 3.726 30 20 CHED COc1cccc2c(N[C@@H]3CC[C@H](C#N)C3)cc(C)nc12 425271734 JHJOUTXLCZAHSE-QWHCGFSZSA-N 281.359 3.656 30 20 CHED CCCCOc1ccccc1NC(=O)N(C)[C@@H](C)CC#N 86283733 JWDNPLAHUBITAI-ZDUSSCGKSA-N 289.379 3.631 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCCN(C)c1ccccc1 190955089 HNBCXUKCDLLKSI-GOSISDBHSA-N 288.435 3.622 30 20 CHED CCCCN(CCCC)C(=O)c1ccccc1OCC#N 194176940 ZOZRJLUSSAHTOM-UHFFFAOYSA-N 288.391 3.631 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)Cc2ccccc2F)n1 195607818 SICRYLNCXCDGLV-CYBMUJFWSA-N 283.350 3.752 30 20 CHED CC(C)c1ccc2occ(C(=O)N[C@@H]3CC[C@H](C#N)C3)c2c1 424964410 GBXIOSIJWVSTMX-GXTWGEPZSA-N 296.370 3.978 30 20 CHED CC(C)(C)[C@@H]1CCCN1CCCC1(C#N)CCOCC1 337147502 ZBYXMROUUCMIJK-HNNXBMFYSA-N 278.440 3.597 30 20 CHED CC[C@H](C)n1ncc(N=C(O)[C@@H]2CCC(=O)[C@@H](C)C2)c1C 330078050 NJWCWNMPIHRQST-GMXVVIOVSA-N 291.395 3.756 30 20 CHED CCc1ccc(N2CCN(CC(C)(C)CCC#N)CC2)cc1 93686484 NJDBDCJEEMZTAB-UHFFFAOYSA-N 299.462 3.701 30 20 CHED COc1c(C)ccc(N[C@H]2CCC[C@H](C#N)C2)c1C 193073108 ZDNIOIPHISFRKY-KBPBESRZSA-N 258.365 3.806 30 20 CHED N#CCc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 332600534 NFAWYAQYOIWPMG-XYJFISCASA-N 296.414 3.841 30 20 CHED C=CCCN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 338548690 WSFAFVIWCAWMMZ-UHFFFAOYSA-N 282.387 3.842 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)nc1 339139138 AUSZEZIVWKCDIM-QMCVQRASSA-N 281.403 3.748 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)ccc2OC)cc1O 96891562 SUSUHJVLHXUPHG-ALCCZGGFSA-N 298.338 3.614 30 20 CHED C[C@@H]1CN(C(=O)CC(C)(C)C#N)CC[C@H]1c1ccccc1 336557345 KWKOVRAZYSDMIA-GDBMZVCRSA-N 284.403 3.578 30 20 CHED Cc1ccc(N=C(O)NC(C)(C)C)cc1OC(C)C 331182909 XRECRQKEEAGRKH-UHFFFAOYSA-N 264.369 3.716 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)C1 98024873 MVYXFWZVRYBNBD-UKRRQHHQSA-N 285.391 3.700 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@@H](OCC)C(=C)C 339432663 JPKRBKKGQKTNIH-OAHLLOKOSA-N 293.432 3.634 30 20 CHED Cc1ccc([N+](=O)[O-])cc1/C(O)=N/C[C@@H]1CC[C@@H](C)C1 331093899 YTYHHBWHQCCGLF-ZYHUDNBSSA-N 276.336 3.644 30 20 CHED O=C(/C=C\c1ccsc1)c1ccc(N2CCCC2=O)cc1 96893587 NZJSMKRWPMGYSJ-BAQGIRSFSA-N 297.379 3.771 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)CC1 335471770 PIYGVPGKQFOFMB-KRWDZBQOSA-N 282.387 3.653 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3c(F)cccc32)c(F)c1 334483837 YTTDJNUNEQBFSI-KRWDZBQOSA-N 284.309 3.614 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)Cc1c(F)cccc1F 339601501 IXVNTOBWFVVFCT-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1Cl 162929825 MOQALZOWPBREBK-FZMZJTMJSA-N 262.784 3.975 30 20 CHED CC[C@@H](NCC1(CC#N)CC1)c1cc(F)ccc1F 430753743 JLBDUHKNRSUKBB-CQSZACIVSA-N 264.319 3.699 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)c1ccsc1 336581260 ISOJCKWAVRLYEE-LLVKDONJSA-N 270.357 3.670 30 20 CHED CC[C@H](C)[C@](C)(O)C/N=C(/O)c1scnc1C(C)(C)C 331031363 ZPWSSSVDRNWZBC-ZUZCIYMTSA-N 298.452 3.542 30 20 CHED CC#CCCNC(=O)Nc1cc(-c2cccnc2)ccc1C 432991933 HPLNAPJMIGWHAV-UHFFFAOYSA-N 293.370 3.592 30 20 CHED Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc(C)c1O 335187550 YVGKQKCMFXQXAI-CYBMUJFWSA-N 294.354 3.623 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NCCCC1(C#N)CCOCC1 337207140 NXNFRWONIKREOK-CVEARBPZSA-N 292.467 3.891 30 20 CHED N#Cc1ccc(N[C@@H]2CCCc3ccc(F)cc32)nc1 92976417 HTYCSMGJHBVTBO-OAHLLOKOSA-N 267.307 3.582 30 20 CHED Cc1c(C(=O)N(C)c2ccc(C#N)cc2)ccn1C(C)C 334541407 PEEHCZFPOVXDQS-UHFFFAOYSA-N 281.359 3.526 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/Cc2ccc(C3CC3)cc2)CC(O)=N1 330160308 RBALJJXPJSRJDZ-ABAIWWIYSA-N 286.375 3.776 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC=CCC1 247991884 KVXBUABJKLNBBJ-KRWDZBQOSA-N 282.387 3.652 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(C)ccc1OC 342612326 CFWHKZNFPNUWOZ-UHFFFAOYSA-N 291.391 3.705 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](c2ccccc2)C1 431316507 WTQUWNVOMBAMLT-IAGOWNOFSA-N 286.419 3.930 30 20 CHED N#Cc1ccccc1CN1Cc2cccc(Cl)c2C1 347466419 PWLFEAMLLBRLRW-UHFFFAOYSA-N 268.747 3.727 30 20 CHED C=CCCC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 342842375 QKCMMMATQLVBSG-NSHDSACASA-N 261.369 3.636 30 20 CHED CC[C@H](C)CSCCCC1(C#N)CCOCC1 347774175 IVDXXZQFXNEGRX-ZDUSSCGKSA-N 255.427 3.866 30 20 CHED Cc1ccc(CCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(C)c1 524195104 SQYHKCBKEYJNLI-KXBFYZLASA-N 298.430 3.825 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@H](C)c1ccc(C#N)cc1 246415972 FQXGFIXOMWWKII-OAUYIBNBSA-N 282.387 3.514 30 20 CHED C[C@H]1CC[C@@H](c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)O1 528235216 IPZFVITXYAEHND-FZMZJTMJSA-N 295.342 3.532 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2cnn(CC)c2)cc1 254977329 IXSASMWOBFCWCF-YHYXMXQVSA-N 284.359 3.588 30 20 CHED Cc1cc(Cl)ncc1NC(=O)/C=C\c1ccccc1C#N 255307684 BFOMAHBCERUJMB-SREVYHEPSA-N 297.745 3.567 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(C2(C#N)CC3(CC3)C2)n1 601361780 FSMWCNXEEMAMHG-NEPJUHHUSA-N 271.364 3.699 30 20 CHED C=CCCSc1nc2cc3ccccc3cc2c(=O)n1C 606755186 WPPNKWLFFIHONJ-UHFFFAOYSA-N 296.395 3.755 30 20 CHED C=CCCOCCCCC(=O)N1CCCC(C)(C)CC1 342880554 HPFYEGANHJGDNL-UHFFFAOYSA-N 281.440 3.788 30 20 CHED CCOc1cccc(C=Nc2cccc(C)c2)c1O 254397248 VHIGJUIXZKYHEF-UHFFFAOYSA-N 255.317 3.850 30 20 CHED C=C(CN[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccccc1 346778078 LVWVKNREHIETQI-YCRPNKLZSA-N 299.439 3.788 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(F)c(F)cc2F)o1 255509293 WBWXPHVYFBCZDQ-ARJAWSKDSA-N 266.218 3.901 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cc(Cl)ccc1F 345900813 HGUJWJODYIPAII-UHFFFAOYSA-N 282.746 3.539 30 20 CHED CCCN(CC#N)C(=O)c1cccc(Nc2ccccc2)c1 609820617 ILOSPINYBUYZHY-UHFFFAOYSA-N 293.370 3.806 30 20 CHED Cc1ccc(-c2cccc([C@@H]3CCNC3)c2)cc1C#N 600794988 VMGHOQLBJQTIQD-QGZVFWFLSA-N 262.356 3.611 30 20 CHED COc1cc(CN2C[C@@H](C)CCC[C@H]2C)ccc1C#N 442884351 KCTLBUWSARRVDQ-UONOGXRCSA-N 272.392 3.577 30 20 CHED C=CCCCC[C@H](C)NC[C@@H]1CCN(CC(F)(F)F)C1 449090140 LZDGLDZPOXOFHL-KBPBESRZSA-N 292.389 3.595 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CCC(C)C)c(C)c1 349398612 HCPBMIZJRDSIBZ-UHFFFAOYSA-N 272.392 3.705 30 20 CHED C[C@@H]1CCCC(=NNC(=S)Nc2ccccc2)C1 252462342 RQRCEVNKLAYFPF-LLVKDONJSA-N 261.394 3.539 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1Cc1cc(C#N)n(C)c1 449391661 YWIJOKSPWOIFLY-SPYBWZPUSA-N 293.414 3.663 30 20 CHED N#Cc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)s1 255588495 MSBRQQCRUJLIBA-YFHOEESVSA-N 299.326 3.808 30 20 CHED C=CCN(CC=C)[C@@H](CN[C@@H](C)c1ccoc1)C(C)C 531940644 CRKUIZHHKNYMDR-RDJZCZTQSA-N 276.424 3.629 30 20 CHED C=CCC[C@H](NCc1ccc(C)nc1)c1ccco1 353436030 AUMUSJVELXVNFY-HNNXBMFYSA-N 256.349 3.780 30 20 CHED N#CCCCC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 600803131 QAIVCNWSEPDGJJ-CQSZACIVSA-N 276.767 3.527 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 537185613 LFIHFMHUTJCGAT-UONOGXRCSA-N 285.391 3.663 30 20 CHED N#Cc1ccccc1CN1CCC(c2ccccc2)CC1 603442040 SBKYNGXUQHKKAB-UHFFFAOYSA-N 276.383 3.938 30 20 CHED C=CCC1(CN[C@@H](C)[C@H]2CCCOC2)CCCC1 449606385 QKRACCLMKNEOLA-GJZGRUSLSA-N 251.414 3.528 30 20 CHED C=CCOc1cccnc1-c1nc(C2(CC)CCCC2)no1 445773766 DXWOMJXOULUWOZ-UHFFFAOYSA-N 299.374 3.918 30 20 CHED C=CCC[C@H](NCCCN(C)C(C)C)c1ccco1 353448681 OEKFOKPQHNSYPB-HNNXBMFYSA-N 264.413 3.607 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 535459734 MIDWAHWYZDRCPR-GFCCVEGCSA-N 299.418 3.927 30 20 CHED C=CCCC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 263703695 UWUQFCPMYUCQPZ-IUODEOHRSA-N 273.376 3.860 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C#N)s1 531385732 MKUJNGBOIIFOEH-WCQYABFASA-N 276.405 3.661 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(F)c(C)c1 538291324 YFWGXYBGPRCMFE-ZDUSSCGKSA-N 278.371 3.678 30 20 CHED CC(C)CCSCC(=O)N[C@@H](C)c1cccc(C#N)c1 610365006 ZMTVNIUAXKTSER-ZDUSSCGKSA-N 290.432 3.515 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1ccc(OCC#N)cc1 264170572 VMYDJEMNUNDFCO-ZDUSSCGKSA-N 286.400 3.843 30 20 CHED C=C(C)CCN1CCC[C@@H]1Cn1c(C)nc2ccccc21 351757891 ORFZYTXUADULAG-MRXNPFEDSA-N 283.419 3.775 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](CC(F)(F)F)c2ccccc2)C1 442714494 LQKKXZKLOIRKDO-KWCYVHTRSA-N 282.309 3.962 30 20 CHED C=CCC1(NC(=O)c2cccc(C(C)=O)c2)CCCC1 619107484 BZLIUHFKDKIITJ-UHFFFAOYSA-N 271.360 3.508 30 20 CHED CCN(Cc1ccccc1C#N)c1cccc(OC)c1 532662295 BQBMIBHXESNTDQ-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C[C@@H]1CCC[C@@H]1NCCSCc1ccccc1C#N 531785378 IBBVKYIPISIOQY-CJNGLKHVSA-N 274.433 3.570 30 20 CHED CC(C)(C)c1cnc(CN2CCC[C@@](C)(C#N)C2)s1 619219673 JPYLUPRHULWMJB-HNNXBMFYSA-N 277.437 3.566 30 20 CHED C=C(C)CNC(=O)[C@@H](CCC)c1ccc(Cl)cc1 613664721 JDLVOLZENXSHEI-AWEZNQCLSA-N 265.784 3.916 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2CCSc3ccccc32)c1 358124429 NGZQCYQNAFJXOB-HNNXBMFYSA-N 294.379 3.776 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccc(C#N)cc2)C12CCC2 447540325 CITUNQQNVIZCRL-OKZBNKHCSA-N 298.430 3.947 30 20 CHED Cc1nc(-c2ccc([C@H](C)N[C@H](C)C#N)cc2)cs1 358866126 RNKDCDUTSOXMEE-MNOVXSKESA-N 271.389 3.681 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 539370199 XDZREXHWAJSNEZ-YGRLFVJLSA-N 276.767 3.520 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 537232608 QJMDYQZKPMLVDO-NEPJUHHUSA-N 281.346 3.929 30 20 CHED COc1cc(C)c([C@@H](C)N2CCC[C@](C)(C#N)C2)cc1C 614963950 PEVXBQIUXDDTNE-CRAIPNDOSA-N 286.419 3.999 30 20 CHED C=CC(C)(C)c1nc(Cc2c[nH]c3c(C)cccc23)no1 453132853 UMNRJTCAZDHVHW-UHFFFAOYSA-N 281.359 3.914 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OCCC)cc1 453330865 BFZAPTRZZDUFEB-QGTPRVQTSA-N 289.419 3.860 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1NCc1ccc(C#N)cc1C 617547730 KUTDLBRJQDMSDV-SJORKVTESA-N 286.419 3.550 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 610010389 RXGWKPSGNAWSDP-XJKSGUPXSA-N 285.391 3.991 30 20 CHED C=CCOc1ccc(CNC2(C3CC3)CC2)cc1Cl 531863693 QWOALFGXRZMDAG-UHFFFAOYSA-N 277.795 3.937 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(-n2cccc2)cc1 361954970 YSUUNXUDBKDEOL-GOSISDBHSA-N 295.386 3.535 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(C)noc1-c1ccccc1 455136643 IHGDUTYYDAOLRX-UHFFFAOYSA-N 299.374 3.984 30 20 CHED C=CC(C)(C)CNC(=O)c1nc(-c2ccccc2)oc1C 452774553 FMTKXWGZSYFJKK-UHFFFAOYSA-N 284.359 3.592 30 20 CHED CC(C)(CC#N)CNCc1cc(C(F)(F)F)ccc1F 459727643 HMCHFLRSZVHPQX-UHFFFAOYSA-N 288.288 3.874 30 20 CHED C[C@H](c1ccccc1)S(=O)(=O)CCCCC(C)(C)C#N 277782616 GTFRFSDQEWXGLP-CQSZACIVSA-N 293.432 3.882 30 20 CHED C=CCC1(C(=O)N2CCC[C@@](CC)(CO)C2)CCCCC1 450805026 NYTWAHZWPOFKGK-QGZVFWFLSA-N 293.451 3.524 30 20 CHED CC1(C)CC[C@@H](Nc2cc(C#N)ncn2)c2ccccc21 616176661 YRUQNUMJOFQPDL-OAHLLOKOSA-N 278.359 3.573 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@H]2CC[C@H]1c1ccccc12 455390725 WBKZHYYHMWAZIA-CJNGLKHVSA-N 284.403 3.843 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)cn1 360973106 GZQLXEUDOZRSIH-UHFFFAOYSA-N 293.414 3.920 30 20 CHED N#CCCCNC(=O)Nc1ccc(CCC(F)(F)F)cc1 273279089 SMYUISORCYUTKO-UHFFFAOYSA-N 299.296 3.607 30 20 CHED CCCCN(CCCCC#N)[C@@H]1CCCC[C@H]1OC 451650203 JTMGDCNPKYYZBD-HZPDHXFCSA-N 266.429 3.740 30 20 CHED N#Cc1cc(F)c(N2CCC[C@]3(CCSC3)C2)c(F)c1 450906083 QDFYVLWKGXVLKE-HNNXBMFYSA-N 294.370 3.560 30 20 CHED CC(C)COc1ccc(CN2CCC(CC#N)CC2)cc1 542850797 PTLZYRQFJJXGRW-UHFFFAOYSA-N 286.419 3.847 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)c1 455948734 BOJAJOSYLFSSHM-OLZOCXBDSA-N 271.364 3.519 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@@H](c2ccccc2F)C1 360274951 OCWSMSQIHQQUQD-TZMCWYRMSA-N 281.334 3.841 30 20 CHED C#C[C@H](C)NC(=O)Nc1cccc(CSC(C)C)c1C 276940793 WRRRHBFNIZDBQU-LBPRGKRZSA-N 290.432 3.780 30 20 CHED N#CCCCNCc1cc(-c2ccccc2)cs1 273010320 BYRMUFQVEKTBIA-UHFFFAOYSA-N 256.374 3.808 30 20 CHED Cc1[nH]c2ccc(-c3noc(C4(C#N)CCC4)n3)cc2c1C 273922465 LFNIAYOQPCUVGJ-UHFFFAOYSA-N 292.342 3.780 30 20 CHED C=CCCc1noc([C@H]2C[C@]23CCCc2ccccc23)n1 453233355 KCHOCKWIGDSVPS-QAPCUYQASA-N 280.371 3.950 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)NCC(C)(C)CCC#N 451775551 OUKCEFHZFPAJIE-KBPBESRZSA-N 264.413 3.649 30 20 CHED CC[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452656113 MGNAJVQYCHKISD-LLVKDONJSA-N 274.364 3.720 30 20 CHED Cc1cc(C)c2[nH]cc(C#N)c(=NCCC(C)(F)F)c2c1 450553166 JIIVRTXSWBKTRO-UHFFFAOYSA-N 289.329 3.602 30 20 CHED C=C(C)CCNC(=O)N1[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 458995480 GWZAUOAZTARNAT-TUAOUCFPSA-N 292.345 3.714 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)SCCCC 540530800 BPJYMHHAIJIJEP-OLZOCXBDSA-N 257.443 3.769 30 20 CHED C=CCC1(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)CCCC1 628112794 ZIIXBNHNEYKGKS-BRWVUGGUSA-N 281.399 3.577 30 20 CHED C=CCOc1ccc(CN(C[C@H](C)OC)C(C)(C)C)cc1 541072546 MSNLTUQCKCPJOE-HNNXBMFYSA-N 291.435 3.887 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cc(OC)c(OC)cc1F 467412409 SFWGFLQUGDPRLE-NEPJUHHUSA-N 281.371 3.848 30 20 CHED CC[C@@H](C)N(C(=O)c1ccc(CC#N)cc1)[C@H](C)CC 274334226 MEBMPBRRINMWCC-ZIAGYGMSSA-N 272.392 3.792 30 20 CHED COc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1C#N 463910053 ZQYIGMQLMJXHJM-UHFFFAOYSA-N 277.327 3.727 30 20 CHED C=CCCN(C)C(=O)Cc1ccc(Cl)cc1Cl 276482605 ZFIPYYZZZIAUMF-UHFFFAOYSA-N 272.175 3.570 30 20 CHED C[C@@H](C(=O)N1CCC2(CCCC2)CC1)c1cccc(C#N)c1 462109440 ALGZGMPTOSHUOK-OAHLLOKOSA-N 296.414 3.845 30 20 CHED C=CCN(C(=O)CSc1ccc(F)cc1)C(C)(C)C 622942886 DCKIDVKGUVTQRR-UHFFFAOYSA-N 281.396 3.731 30 20 CHED C=CCN(c1nnc(-c2ccc(C)o2)n1CC(=C)C)C1CC1 460958254 HTAQDWWKSDWCIZ-UHFFFAOYSA-N 298.390 3.577 30 20 CHED N#Cc1cc(F)ccc1N1CCC(Cc2cccnc2)CC1 374495778 JNYHYWQRVGFRMB-UHFFFAOYSA-N 295.361 3.551 30 20 CHED CSc1ccc(OCCCC2(C#N)CCOCC2)cc1 281478308 WLBPOMXDSIQSFQ-UHFFFAOYSA-N 291.416 3.888 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(Cl)ccc1SC 289207466 PNVCILVCKSMLCK-CYBMUJFWSA-N 282.796 3.940 30 20 CHED CCc1ccc(NC(=O)NCCCCC#N)cc1Cl 287884461 ZMEZXDFERZZDCE-UHFFFAOYSA-N 279.771 3.718 30 20 CHED C=CCOc1ccc(CNC(=O)CCC2CCCC2)cc1 552586023 SDNOUYCPVXMDEM-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 464748783 AOCLJGWQMRMRPO-WBMJQRKESA-N 290.382 3.931 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1cccc(Cl)c1 282852793 SYSRSXSPPVHFPR-SMDDNHRTSA-N 250.773 3.553 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCCCC1 372634581 HUWXLZREYXVTOU-MSOLQXFVSA-N 296.414 3.865 30 20 CHED CCC[C@@H](C)CC(=O)N(CCC#N)c1ccc(F)cc1 554286600 MRSDAOMDAWJUSL-CYBMUJFWSA-N 276.355 3.899 30 20 CHED C=CC[C@H](C)N[C@@H](COC)c1cccc(Cl)c1 554989082 VEKVFLZKGCVDPB-FZMZJTMJSA-N 253.773 3.582 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2ccc(Cl)c(C#N)c2)C1 469282247 WRGNSJHBTHWXLT-WDEREUQCSA-N 276.767 3.976 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2c[nH]c3ccccc23)no1 289197768 XZDZWYRGFAJHIX-QGZVFWFLSA-N 297.358 3.698 30 20 CHED C=CCOCCN1CCCCC[C@H]1c1ccc(OC)cc1 555299220 AGSXBXJKXDOKKV-SFHVURJKSA-N 289.419 3.815 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 552012129 NHIGMXHRTYCMSJ-CZUORRHYSA-N 286.350 3.675 30 20 CHED C=CCCCN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 463190512 DNCUOGSOTXYCFR-YYIAUSFCSA-N 265.441 3.604 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](c1ncccc1C)C(C)C 281932091 RQLMCRKAXBZQJL-HUUCEWRRSA-N 289.423 3.741 30 20 CHED C=CC[C@@H](CC)NC(=O)C12CC3CC(CC(C3)C1)C2 466538636 HXARHOQZNKTDEQ-UZZMVUAXSA-N 261.409 3.674 30 20 CHED C=CCOc1ccc(CNC(=O)CC2CCCCC2)cc1 552581840 LUEQKHMYUJJSDD-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C=CCCCCNC(=O)c1ccc2nc(C)ccc2c1 471711697 INRLGTBXPAFKFN-UHFFFAOYSA-N 268.360 3.629 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCC1CCCCC1 477065897 DMCZIWHOANBBLQ-AWEZNQCLSA-N 281.465 3.889 30 20 CHED C=CCC[C@H](C)N[C@@H](CO)c1c(Cl)cccc1Cl 475638094 OCGALABPJJABOG-GWCFXTLKSA-N 288.218 3.971 30 20 CHED Cc1csc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 298614366 RSNKZTXHCRQMQS-UHFFFAOYSA-N 287.388 3.737 30 20 CHED C=CCCCCCN[C@@H](C(C)C)C1(CO)CCC1 555728522 VIOVCPFGUOETNG-HNNXBMFYSA-N 253.430 3.510 30 20 CHED N#C[C@]1(C(=O)Oc2cccc(Cl)c2)CC12CCCC2 297545298 PDPJNGBSJRUJFC-HNNXBMFYSA-N 275.735 3.719 30 20 CHED CCCN(C(=O)CSCC#N)[C@@H](CC)c1ccccc1 298497831 KPMQOZZOOFMMQM-HNNXBMFYSA-N 290.432 3.633 30 20 CHED C=CCC[C@H](O)CN1CCc2cc(-c3ccccc3)oc2C1 472588351 ITOZCDLNFBTXMU-KRWDZBQOSA-N 297.398 3.632 30 20 CHED C#CCO[C@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C 294652212 VUKIMJGRCWYACR-CQSZACIVSA-N 287.403 3.910 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 474583147 UMPVIOWPOIORHV-VXGBXAGGSA-N 289.341 3.970 30 20 CHED C=CCCCCNC(=O)N(C)CCCc1ccccc1 472840333 VKECUTAMUAKNBP-UHFFFAOYSA-N 274.408 3.617 30 20 CHED C#Cc1ccc(CNC[C@@H]2CCCO[C@H]2C(C)(C)C)cc1 809621058 ZMJAUKDMTZAVOF-ZWKOTPCHSA-N 285.431 3.599 30 20 CHED CCCC[C@@H](C)C(=O)[C@H](C#N)c1nc2ccccc2o1 800387655 QPNSZHYRVCAAKO-NEPJUHHUSA-N 270.332 3.830 30 20 CHED C/C=C(\C)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297772847 MTXXEZBUNFHSSV-RMKNXTFCSA-N 262.378 3.822 30 20 CHED C(=NNCC1CCCC1)c1cccc(-c2ccccn2)c1 808006422 VXTYNVGNLSPCMV-UHFFFAOYSA-N 279.387 3.862 30 20 CHED Fc1cc(F)c(F)c(OCCC(F)(F)F)c1F 298297372 IYSHVBDVGCPPBU-UHFFFAOYSA-N 262.124 3.574 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C#N)cc1 299441055 WVGNONGFBIHPLN-IBGZPJMESA-N 292.382 3.734 30 20 CHED COc1ccc(C=NNc2ccccc2F)c(C)c1OC 807961060 AGAKYZWFYHKASR-UHFFFAOYSA-N 288.322 3.597 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)s1)c1ccc(Cl)s1 486811615 WILHRGZFYQUAJB-SSDOTTSWSA-N 296.804 3.826 30 20 CHED C#CCON=C(C)c1ccc(OCCC)c(OCCC)c1 812236597 UFTCQRFAHIODNR-UHFFFAOYSA-N 289.375 3.638 30 20 CHED C=C(CNC(=O)/C=C/C(=C/C)CC)c1ccccc1 813622159 FZLNEPLTJNBQMX-VEFZVBEFSA-N 255.361 3.729 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCOc2c(OC)cccc21 655850852 MWWIEGIPTLQLAA-GUTXKFCHSA-N 275.392 3.709 30 20 CHED CCN(C(=O)Nc1cccc(C#N)c1)c1ccc(OC)cc1 578381054 XKKQCOBJOONQHW-UHFFFAOYSA-N 295.342 3.625 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1ccc2ccccc2c1 814689580 WKJNOLBFXAVMEZ-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)(C)c1ncc(C=NN[C@@H]2CCCCC2(C)C)cn1 814916512 BGVYHZAIGHJRDV-CQSZACIVSA-N 288.439 3.666 30 20 CHED CCOc1ccc(NN=Cc2ccc(C)c([N+](=O)[O-])c2)cc1 814984882 LELHARQNRDTRHT-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C=CC[C@@H](CC)NC[C@@H](O)c1ccc(Cl)cc1Cl 819283052 GIPLMVMGHNECHO-BXUZGUMPSA-N 288.218 3.971 30 20 CHED C=CCCCCCCNC(=O)c1oc(CCC)nc1C 816661696 VHWBDEALZCGVSK-UHFFFAOYSA-N 278.396 3.802 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2c(F)cc(C#N)cc2F)CCO1 487078208 ZJIHURJUQCNEHP-RISCZKNCSA-N 294.345 3.842 30 20 CHED C=CCCOCC(=O)OCc1cc(Cl)cc(Cl)c1 811105677 WQYDQGYZFZXHKZ-UHFFFAOYSA-N 289.158 3.629 30 20 CHED Clc1nc(Cl)c(C=NOCCC2CC2)s1 814245985 QHPFOGUGYFIKKH-UHFFFAOYSA-N 265.165 3.601 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CSc1ccc(C)cc1C 485462851 FYCLOFAWNDIDTO-CQSZACIVSA-N 290.432 3.546 30 20 CHED COc1cc(F)cc(NN=C2CC[C@H]2C2CCC2)c1 814872217 GJVBKTYLSTXREE-AWEZNQCLSA-N 262.328 3.812 30 20 CHED C=C(C)[C@@H](NCCC1CC1)c1ccc(F)c(F)c1 481583121 WMIPRFPVXIIAFV-OAHLLOKOSA-N 251.320 3.972 30 20 CHED C[C@@H](OC(=O)CCCC#N)c1ccc(Cl)cc1 812616424 BPAGWFZALLKCHL-SNVBAGLBSA-N 251.713 3.638 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2cccc(F)c2)cc1F 727653809 ZKXFSOMKTRWRHG-CLFYSBASSA-N 287.309 3.927 30 20 CHED C=CCC[C@H](C(=O)Nc1ccc(OC)nc1)c1ccccc1 487634778 NLODMOAKENFITE-INIZCTEOSA-N 296.370 3.779 30 20 CHED C#CCCOC(=O)[C@@H](C)c1c(Cl)cccc1Cl 727042380 WNZBXFQPIORTOV-VIFPVBQESA-N 271.143 3.663 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1CCC1CCCC1 487306614 OWXLWZNIYXMWKN-ZFWWWQNUSA-N 264.413 3.705 30 20 CHED CC(C)OCCON=Cc1cc(C(F)(F)F)ccc1F 812238022 RDXGMWJFEKJSMS-UHFFFAOYSA-N 293.260 3.620 30 20 CHED CC#CCCNC(=O)N[C@@H](CC)c1ccc(Cl)s1 483022984 DQGWDLYMWBDXAV-JTQLQIEISA-N 284.812 3.565 30 20 CHED Cc1cccc2c1[C@@H](OC(=O)c1ccc(C#N)cc1)CCO2 814035097 SRKCUFQEJPKHAJ-INIZCTEOSA-N 293.322 3.547 30 20 CHED CCC[C@@H]1CCCC[C@H]1/N=C/c1ccc(O)c(O)c1O 728232950 YVHNQVNBXVFTOM-MXNRISGCSA-N 277.364 3.581 30 20 CHED C=C(CC)CNC(=O)c1oc2c(F)cccc2c1C 654378423 XEKCILCEHQNQRK-UHFFFAOYSA-N 261.296 3.576 30 20 CHED C=C(C)C[C@H](C)C(=O)NCC[C@@H]1CCc2ccccc2N1 653232615 GGQITJOOUQAKJO-HOCLYGCPSA-N 286.419 3.522 30 20 CHED C=CCCCCNC1(Cc2ccc(F)cc2)CCOCC1 574149648 KXCCSEOFNQBJRQ-UHFFFAOYSA-N 291.410 3.863 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)c1ccncc1 657901817 XQVKAENTSJOREA-OIISXLGYSA-N 258.409 3.910 30 20 CHED C=CCCCN[C@H](CC)c1cc(OC)c(OC)c(OC)c1 652194107 FUWQSZRTDCNGDX-CQSZACIVSA-N 293.407 3.719 30 20 CHED C=CCC[C@@H](NC[C@@H](CO)c1ccccc1Cl)C1CC1 574144944 WYXHZOHZUCGVJV-WMLDXEAASA-N 293.838 3.750 30 20 CHED CC(=O)c1ccc(C#N)cc1NC[C@]1(C)CC1(Cl)Cl 828798313 JEGFLBHULDHUPL-ZDUSSCGKSA-N 297.185 3.757 30 20 CHED C#CCOc1cccc(NC(=O)[C@@H](CC)CC(F)(F)F)c1 823195545 BURBDUSXYDLXEQ-NSHDSACASA-N 299.292 3.616 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](CCC)c2ccccn2)c1 729554195 VTNGOTFIGPBCOG-KRWDZBQOSA-N 293.370 3.726 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CCc2sccc21 726889430 CIIQJZYIPLDXHQ-FLIBITNWSA-N 256.326 3.666 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 822639440 AAOVJBFADIYHCK-UHFFFAOYSA-N 282.727 3.789 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1ccc(O)c(Cl)c1 588480293 QUKCSBUBBMBZGZ-XQRVVYSFSA-N 277.707 3.547 30 20 CHED C=CC(C)(C)Cc1nc(COc2ccc(F)cc2)no1 904660730 FSDDMIIEYHWYHW-UHFFFAOYSA-N 276.311 3.542 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(-c2ccccc2)o1 903106963 ZIJZJJRABYXATR-ZDUSSCGKSA-N 266.344 3.901 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@@H]2CCc3ccccc32)c1 731937678 MQMBTVGEGTWXKK-NPRIEWAGSA-N 295.382 3.940 30 20 CHED COC(=O)Nc1cccc(NCc2cccc(C#N)c2)c1C 497159836 HIJIVXPYPLCCSW-UHFFFAOYSA-N 295.342 3.657 30 20 CHED C=CCC[C@H](O)CN1CCC[C@]1(CCC)C(F)(F)F 499067221 AOZCVRHZTNGRPS-QWHCGFSZSA-N 279.346 3.511 30 20 CHED CC(C)CCO[C@@H](C)C(=O)Nc1ccc(C#N)cc1Cl 494640829 CUXLIRBWGXVMFD-NSHDSACASA-N 294.782 3.601 30 20 CHED COCc1ccc(C=NNc2ccc(C(C)C)cc2)o1 835018694 RRKBRCUVVMNTAC-UHFFFAOYSA-N 272.348 3.995 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1cc(C(F)F)ccc1Cl 582983334 RWCQBVSBFANCLL-ZETCQYMHSA-N 287.697 3.559 30 20 CHED CCCc1csc(NC(=O)CCCCCC#N)n1 588665476 GTVDWBSCNSKPMW-UHFFFAOYSA-N 265.382 3.508 30 20 CHED C=C(Cl)CNC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 736400276 NFXFXMQZCPYVOL-AWEZNQCLSA-N 296.773 3.719 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(N2CCCCC2)cc1 903100614 UOVMQUOZXVRNJB-HNNXBMFYSA-N 285.435 3.877 30 20 CHED C=CCN(C(=O)c1nsc2ccccc12)C(C)(C)C 906033693 GBFFSDBNZROLGB-UHFFFAOYSA-N 274.389 3.723 30 20 CHED Cc1ccc(NN=Cc2occc2Br)cc1 735223506 CMPHPFWTDJFRCT-UHFFFAOYSA-N 279.137 3.797 30 20 CHED N#C[C@]1(C(=O)OCCC2CCCC2)CC12CCCC2 837905081 IZIIGFVTUZCFIR-INIZCTEOSA-N 261.365 3.584 30 20 CHED C#CCNC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 735376455 WBSOMNZDIMHQKP-OAHLLOKOSA-N 290.794 3.600 30 20 CHED C#CCCOc1ccc(CN[C@H](C)CCc2ccco2)cc1 733323158 LOQAMXRVXYXKAV-MRXNPFEDSA-N 297.398 3.793 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1nc(C)c(C)[nH]1)C2=O 901489390 KKZUFSSYAHMQQU-NTEUORMPSA-N 280.371 3.856 30 20 CHED C=CC[C@H](c1ccccc1)c1nc(CC(C)C)no1 904414858 WVHGZVAQGDZMCV-CQSZACIVSA-N 256.349 3.976 30 20 CHED CCCCCCCSc1nnc(N(C)C)s1 731158566 NQRNQJBAUGSDQZ-UHFFFAOYSA-N 259.444 3.667 30 20 CHED C=CCC[C@H](C)OC(=O)C1(C(F)(F)F)CCC1 835269781 ZGFPMZODWDIUFA-VIFPVBQESA-N 250.260 3.617 30 20 CHED CC(C)n1cncc1/C=C1\CCc2cc(C#N)ccc2C1=O 901480553 MZWWKWNXKXSTGM-OVCLIPMQSA-N 291.354 3.548 30 20 CHED C[C@@](C#N)(NC(=O)C=C(C1CC1)C1CC1)C1CCCCC1 734238478 BLSDOBCCNLBEKC-SFHVURJKSA-N 286.419 3.712 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=Nn2cnc3ccccc32)o1 732766780 VWRSPTLWKMGVPY-DGCLKSJQSA-N 265.316 3.635 30 20 CHED Fc1ccc(F)c(CNN=C/C=C/c2ccccc2)c1 915979727 ZTVNQJHEZLCKNL-FBZYTMSMSA-N 272.298 3.754 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 837429328 PTQAUGVCECNJLK-IAGOWNOFSA-N 283.415 3.564 30 20 CHED C=CCN(C(=O)c1cc(SC)ccc1C)C(C)C 918700755 BNAVFMBIMXXKDY-UHFFFAOYSA-N 263.406 3.754 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)OCCC(C)(C)C#N 830247469 BKRTZIWXHHAONC-NWDGAFQWSA-N 251.370 3.542 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](CC#N)C1 597910066 VAZKNBNFEZWGIW-HZPDHXFCSA-N 284.403 3.641 30 20 CHED Cc1ccc(C(=O)N(C2CC2)[C@@H](C)C#N)c2ccccc12 598136340 FPFYRDGGXWEPNA-ZDUSSCGKSA-N 278.355 3.665 30 20 CHED CCOc1ccc(C(C)=NNc2ccccn2)cc1OCC 916273751 RTUPNIQARSXDRX-UHFFFAOYSA-N 299.374 3.715 30 20 CHED N#C[C@H](C(=O)/C=C\c1ccco1)c1ccc2ccccc2n1 916849565 UVCRACQWEURSPP-WWRUEGTHSA-N 288.306 3.717 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 597779338 LOAKCZCZXILLDI-OIISXLGYSA-N 284.403 3.721 30 20 CHED O=C(O)c1ccccc1NN=C(c1ccc(F)cc1)C1CC1 914693495 FHZUTVGIEQPSQB-UHFFFAOYSA-N 298.317 3.750 30 20 CHED Cc1ccc(C)c(NN=Cc2c(C)nc3sccn23)c1 916345842 OUXIPFKNIUXVIS-UHFFFAOYSA-N 284.388 3.767 30 20 CHED Cc1cc(C#N)ccc1N[C@H](C)Cc1c(C)noc1C 846750599 SOKKJFIWBVNECX-LLVKDONJSA-N 269.348 3.515 30 20 CHED N#CC1(CC(=O)OC[C@H]2CC2(Cl)Cl)CCCCC1 849905334 RXYBPKABULATBZ-SNVBAGLBSA-N 290.190 3.588 30 20 CHED N#CC1(COC(=O)c2ccc(C(F)F)cc2F)CCC1 847683105 LJVRWFOKQDUDBG-UHFFFAOYSA-N 283.249 3.614 30 20 CHED CC[C@H](C)CCCCC(=O)N(C)CC(C)(C)C#N 590494927 HJATYKDDDKXUAV-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED C=CCOc1ccc(CN[C@@H](C)CC2CCOCC2)cc1 673811943 RAHSCPUFGJQCHN-HNNXBMFYSA-N 289.419 3.546 30 20 CHED Cc1nc(CC(C)C)sc1C(=O)OCC1(CC#N)CC1 744276704 MUVGNSWZVWRQFO-UHFFFAOYSA-N 292.404 3.501 30 20 CHED N#C[C@H]1CC[C@@H](NCc2csc(C(F)(F)F)c2)C1 598976023 MDIMRSNJJOLKSH-WCBMZHEXSA-N 274.311 3.549 30 20 CHED C[C@@H](CCC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597908959 YHSRIYSUCVCGOI-JKSUJKDBSA-N 284.403 3.723 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\CCOC1CCC1 743044510 KRMXYJXWGCOVSY-PXNMLYILSA-N 288.174 3.687 30 20 CHED CCO[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2O)C12CCC2 741465709 XQBZVTFWNPBQRA-SMZSATKYSA-N 293.794 3.812 30 20 CHED Cc1cc(C)c(NN=Cc2cn3ccccc3n2)c(C)c1 743445065 BUCZIRPGVXBKNT-UHFFFAOYSA-N 278.359 3.706 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H]1c1cc(C)ccc1C 593527646 CNLCJNRYCCDPLH-GDBMZVCRSA-N 270.376 3.517 30 20 CHED C=CCC1(C(=O)Nc2ccnc(OC(C)C)c2)CCC1 683063989 BFLWFUCBWZOCHA-UHFFFAOYSA-N 274.364 3.554 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 593700670 XVHYZFPYYBIHKK-IIAWOOMASA-N 270.376 3.536 30 20 CHED C[C@@H](CC/N=C/c1cccc(O)c1O)c1ccccc1 749749049 UKSRBMZOXDNYRM-HTMJNSLASA-N 269.344 3.711 30 20 CHED CSc1cc(C)c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)o1 597258617 QEUHYMLCZQMWDG-ZUZCIYMTSA-N 292.404 3.512 30 20 CHED C=C(C)CCOC(=O)c1cc(F)cc2nc(C)c(C)nc12 744303907 FECPTRDSXCNJRK-UHFFFAOYSA-N 288.322 3.509 30 20 CHED C=CCCCCNC(=O)N[C@H](CCC)c1ccccn1 681160636 OHXLAUJJYSHGOD-OAHLLOKOSA-N 275.396 3.578 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2NC2CCC2)s1 593814926 WSRKGUBZRIADRR-UHFFFAOYSA-N 297.383 3.836 30 20 CHED COc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1C#N 742367279 PIIKPUMMMJPPQY-LRDDRELGSA-N 296.370 3.573 30 20 CHED N#Cc1ccc(N(C(=O)[C@]23CCC[C@H]2C3)C2CCC2)cc1 598886897 YBJCXWLIZPUJRZ-KSSFIOAISA-N 280.371 3.634 30 20 CHED N#CC1(CC(=O)Nc2ccc3[nH]ccc3c2)CCCCC1 596709807 SBEYPLJMNCGRPG-UHFFFAOYSA-N 281.359 3.971 30 20 CHED CC(C)Oc1ccccc1C=NOCC1CC(F)(F)C1 842017641 QQMFVCFRDHQOAP-UHFFFAOYSA-N 283.318 3.870 30 20 CHED Cc1c(Br)cccc1CN(C1CC1)[C@@H](C)C#N 595713710 VLRTVOCPRUDYHZ-JTQLQIEISA-N 293.208 3.634 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2sccc2C1 682359945 CTVOZQWFEMAGIQ-OAHLLOKOSA-N 263.406 3.625 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCCC(F)(F)C3)c2c1 593486677 AWSMLRCIUIBYRE-UHFFFAOYSA-N 287.313 3.650 30 20 CHED C=CCOc1cccc(C=NNc2ccc(Cl)nc2)c1 743450117 LWWAKDVMAKLWFW-UHFFFAOYSA-N 287.750 3.746 30 20 CHED COc1ccc(O)c(/C=N/C[C@H](C)Cc2cccs2)c1 741464480 PDBDAVNBMSWIDD-PBSOMRJOSA-N 289.400 3.760 30 20 CHED C[C@H](C(=O)O[C@@H](C)C(C)(C)C#N)c1ccc(Cl)cc1 845497047 SWQLJAUEOHVGRI-QWRGUYRKSA-N 279.767 3.925 30 20 CHED CC[C@H](COC(=O)/C=C/c1ccccc1C#N)CC(F)F 845761006 JFZYHTXHOGRESZ-GUOLPTJISA-N 293.313 3.796 30 20 CHED C=CCCN(C)C(=O)c1cccnc1Sc1ccccc1 682439068 SNHDQWWEFBMDPM-UHFFFAOYSA-N 298.411 3.881 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1cnc(C(C)=O)s1 851143914 OLWYTOCNGREUGS-VXGBXAGGSA-N 293.388 3.637 30 20 CHED CCCCCCCCNC(=O)Nc1ncccc1C 754779564 ZRTCZRSVVZGDCX-UHFFFAOYSA-N 263.385 3.872 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1ccc(F)cc1F 929725362 ZPPDKBILFHZXSH-NSHDSACASA-N 267.319 3.526 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1nc2ccccc2s1 751516147 FYXNMLBCLGKLBJ-NSHDSACASA-N 275.377 3.511 30 20 CHED CCc1ccc([C@H](NCCCC#N)c2cccnc2)cc1 926134328 XSZVSESRPPTRGT-SFHVURJKSA-N 279.387 3.627 30 20 CHED C[C@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccco1 859812229 LBGKFLQYUCGZEM-CHWSQXEVSA-N 283.327 3.949 30 20 CHED C[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)c1ccccc1 751996857 GDGCMVWHRFRHMU-CZUORRHYSA-N 271.360 3.806 30 20 CHED CC1(C)C[C@]1(C(=O)OCC1(CC#N)CC1)c1ccccc1 850293188 QAXKZDWAMPYTRM-GOSISDBHSA-N 283.371 3.591 30 20 CHED N#Cc1cccc(Sc2nnc(-c3ccccc3)s2)n1 755910348 XUSRGIZSHWHVSJ-UHFFFAOYSA-N 296.380 3.623 30 20 CHED Cc1ccc2c(CCC(=O)O[C@H](C)C(C)(C)C#N)c[nH]c2c1 753607203 PAUISEKHVFKSLM-CYBMUJFWSA-N 298.386 3.890 30 20 CHED CCn1cc(C=NNc2cc(C)ccn2)c2ccccc21 755907103 SRLHMVZZDYRGPS-UHFFFAOYSA-N 278.359 3.811 30 20 CHED C=CCCC(C)(C)NC(=O)c1c[nH]c2cccc(F)c12 856373827 APYCTFXBZITNPO-UHFFFAOYSA-N 274.339 3.782 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1ccccc1O 757474939 ONXYRLHYLCJIQH-YVMONPNESA-N 260.239 3.567 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 754388487 LATBCTMIBMTIEH-HZSPNIEDSA-N 296.197 3.625 30 20 CHED N#C[C@@H](C(=O)C1CCC2(CC1)CC2)c1nc2ccccc2[nH]1 850739166 SYOLAFFYQIBDDQ-ZDUSSCGKSA-N 293.370 3.710 30 20 CHED Cc1ccc(NN=C2CC(c3cccc(Cl)c3)C2)nn1 753922152 QHPUPAQSQBLZRL-UHFFFAOYSA-N 286.766 3.784 30 20 CHED CC(=NNc1cc(C)ccn1)c1ccc(Cl)cc1 755904168 WGVXIFKAFZXPJG-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CC(C)N(C)c1ccc(Nc2cccc(C#N)n2)cc1F 755909683 QESHWNFMXZVRIH-UHFFFAOYSA-N 284.338 3.681 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccsc1C(F)F 930902998 YGSMKYDYPONSBZ-UHFFFAOYSA-N 286.347 3.698 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)nn1)c1ccccc1 754711462 QPYUROWEWIDHTI-UHFFFAOYSA-N 294.280 3.722 30 20 CHED CC(=NNc1cncc(Br)c1)c1cccs1 758122202 HMBKVVVTPJBSFV-UHFFFAOYSA-N 296.193 3.742 30 20 CHED CC[C@@H](N[C@H](C)CCC#N)c1cc(F)ccc1OC 932475096 RZVCBFCHOVFWNA-BXUZGUMPSA-N 264.344 3.567 30 20 CHED CCCCCCCNC(=O)c1cnn(CCC)c1C1CC1 862357780 GXNHKLLAJJOASM-UHFFFAOYSA-N 291.439 3.871 30 20 CHED C#CCCN(Cc1ccc(OCCC)cc1)CC(F)(F)F 767899611 JDYIPLWHUDDHTG-UHFFFAOYSA-N 299.336 3.863 30 20 CHED C#CCCOc1ccc(CN(C)Cc2ccccc2F)cc1 768172981 SLJFFEVCLRCZCO-UHFFFAOYSA-N 297.373 3.860 30 20 CHED CC(C)c1ccc([C@@H]2CCCCN2C[C@H](O)CC#N)cc1 930136379 FWCRXXJNKMSMQV-MSOLQXFVSA-N 286.419 3.612 30 20 CHED C=CCOCC(=O)O[C@@H]1c2cc(Cl)ccc2CC1(C)C 766579466 RSRNNWMAXUVUHA-OAHLLOKOSA-N 294.778 3.709 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H](C)CCC)n1 761992052 PIKMNXCLYXOZHE-LBPRGKRZSA-N 270.332 3.652 30 20 CHED Clc1ccc(NN=CC[C@H]2CCOC2)c(Cl)c1 765561984 FBVRVSNVTUFORX-VIFPVBQESA-N 273.163 3.818 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1nc2ccccc2n1C 766010287 LTTBDYKHROVLPC-NSHDSACASA-N 270.380 3.797 30 20 CHED N#C[C@H]1CCCN(Cc2ccccc2Oc2cccnc2)C1 932156340 BJMXRZXNAKRIKE-OAHLLOKOSA-N 293.370 3.609 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNC(=S)Nc1cccnc1 769566857 JBTLMNOOLXHEQT-NWDGAFQWSA-N 290.436 3.570 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H](CCC)c1cccc(Cl)c1 861340125 GVMYRZCSIVGGLM-SWLSCSKDSA-N 277.795 3.704 30 20 CHED C=C(C)CNC(=O)[C@H](CC)c1ccc(Br)cc1 860976742 RQVDKQSVJCJCQV-CYBMUJFWSA-N 296.208 3.635 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)OCc1ccc(F)c(C#N)c1 769175149 FAZALFNHHNKYON-DGCLKSJQSA-N 275.323 3.567 30 20 CHED C#CCCCSCc1cccnc1C(F)(F)F 863395247 AIEBEGYBZXMTCR-UHFFFAOYSA-N 259.296 3.747 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N(C)c2cc(Cl)ccc2C#N)C1 764274017 VGQNBZSBCIZXMI-OYGDSYQHSA-N 288.778 3.921 30 20 CHED N#Cc1cccc([C@@H]2CN(CCCC3CCCC3)CCO2)c1 761767593 ZVXHAYOHNILGCL-IBGZPJMESA-N 298.430 3.902 30 20 CHED Cc1ccc(C)c(C=NNCCc2ccccc2F)c1 764716793 KXJDEYDUQVQHRE-UHFFFAOYSA-N 270.351 3.609 30 20 CHED CC(=NNc1ccc2ccccc2n1)C(F)(F)F 761743178 LGQOZEWMZMKAPF-UHFFFAOYSA-N 253.227 3.585 30 20 CHED CCCCCCCC(=O)NCCc1ccc(N(C)C)cc1 1115939665 XIZDBHSRYYPXPS-UHFFFAOYSA-N 290.451 3.772 30 20 CHED C=CCOCCSCc1cccc2ncccc12 871703837 MFSDPOSPDSYCRJ-UHFFFAOYSA-N 259.374 3.671 30 20 CHED CCCCCCCC(=O)N[C@@H]1CC(=O)c2ccccc21 779447267 VHPPVUPACFUNCO-OAHLLOKOSA-N 273.376 3.791 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C2(F)CCCC2)CC1 774076113 IXWPMRWTVOLCGL-UHFFFAOYSA-N 294.414 3.884 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C)c(N2CCCC2)c1 874942573 HNNZTGOMRPEERF-UHFFFAOYSA-N 294.345 3.745 30 20 CHED N#Cc1ccccc1/C=C/C(=O)O[C@H](C#N)C1CCCCC1 776370174 CRMHXSFYPIUMBR-SXSDINLZSA-N 294.354 3.587 30 20 CHED CC(C)(C#N)CCOC(=O)c1c[nH]cc1-c1ccccc1 776374448 MCKSVFIHQQUGDX-UHFFFAOYSA-N 282.343 3.778 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2c[nH]c(C#N)c2)cc1 779212564 KUCLBSZHAFLYOZ-IRXDYDNUSA-N 294.354 3.688 30 20 CHED C[C@@H](CC#N)N(C)c1cc(-c2cccc(Cl)c2)ncn1 872470147 DMYBDJOJIRAFEN-NSHDSACASA-N 286.766 3.535 30 20 CHED C#CCCCCCC(=O)N1CCc2ccccc2[C@H]1C 779919181 NMSKJGUSMIVVIQ-OAHLLOKOSA-N 269.388 3.716 30 20 CHED C=CC[C@@H](NC[C@@H](Cc1ccccc1)OC)c1ccncc1 877046070 HPJWOKRLVDYKLO-RTBURBONSA-N 296.414 3.546 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@@H](C)[C@H]1CC)c1ccncc1 776150964 VNXVWURIRNZDGA-VNQPRFMTSA-N 287.407 3.529 30 20 CHED C=CCc1cc(CNC[C@H](C)CC)cc(OC)c1OC 771833392 WTKFHYCSLCHXQS-CYBMUJFWSA-N 277.408 3.568 30 20 CHED CC(C)=CCC/C(C)=C/C=NOC1CCOCC1 774460918 ZFRMKTZHDWIQGY-AVWLMNIWSA-N 251.370 3.861 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccccc1 778423992 HNQVZWWBMWRTLR-STQMWFEESA-N 298.213 3.656 30 20 CHED CCCOc1ccc(NC[C@H](C)CCC#N)cc1OC 877661427 BZJODDUAEXYGRZ-CYBMUJFWSA-N 276.380 3.836 30 20 CHED C#CCCCCNC(=O)N(CC(C)(C)C)CC(C)(C)C 775443128 NCIANPOAHDUUKT-UHFFFAOYSA-N 280.456 3.894 30 20 CHED CC(C)c1ncc(C(=O)O[C@H](C#N)C2CCCCC2)s1 776397169 XFKMMOCOJBWACQ-GFCCVEGCSA-N 292.404 3.896 30 20 CHED CCc1cnccc1C(C)=NNc1cc(Cl)ccn1 777905261 CSXMSYWURNOTJF-UHFFFAOYSA-N 274.755 3.529 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 1124372487 ACZFECCTVKRBBB-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@H](OC(=O)c1csc(C#N)c1)c1ccccc1F 1127678182 AUAHVQXVVHKXPK-VIFPVBQESA-N 275.304 3.677 30 20 CHED CCCn1c(C(=O)OCC2(C#N)CC2)cc2ccccc21 787874338 XSNBWPRMRYGABI-UHFFFAOYSA-N 282.343 3.512 30 20 CHED C=CCC[C@@H](CC)NC[C@H](O)c1cc(F)cc(Cl)c1 787024077 FTWYOEQLCYXWOB-CABCVRRESA-N 285.790 3.847 30 20 CHED C#CCOc1cccc(NC(=O)C2(CC#C)CCCCC2)c1 788210459 RUJONDBMNOHSDN-UHFFFAOYSA-N 295.382 3.611 30 20 CHED C=C[C@H](C)OC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 781578363 APKLYXMCCUGCQB-ZDUSSCGKSA-N 295.338 3.670 30 20 CHED C#CCC1(C(=O)Nc2ccc(OC)cc2)CCCCC1 788143358 OHWZLMTXVRLUHQ-UHFFFAOYSA-N 271.360 3.608 30 20 CHED C=CCC(CC=C)C(=O)Nc1nn(C(C)C)cc1Cl 894880104 IFTNPWZMEHQIDE-UHFFFAOYSA-N 281.787 3.824 30 20 CHED CCCCCCCCNC(=O)C(F)(F)c1ncccc1C 784402934 XDUCAOUEIOOISW-UHFFFAOYSA-N 298.377 3.959 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccccc3F)cn2c1 789129067 YBRWHRVXFUOFAS-FPLPWBNLSA-N 280.302 3.678 30 20 CHED C=C(C)CN1CCC(Nc2ccc(C(F)(F)F)nc2)CC1 892395216 BQUVNNADGUNPGB-UHFFFAOYSA-N 299.340 3.553 30 20 CHED C=C(Cl)COC(=O)c1cc(O)c2ccsc2c1 786131382 CSJOSWLUXXLIPG-UHFFFAOYSA-N 268.721 3.516 30 20 CHED CCCCCCCC(=O)N(C)Cc1ccc(C)cn1 789361477 JNKMQJSHKZEMBC-UHFFFAOYSA-N 262.397 3.709 30 20 CHED COc1ccc(C#N)cc1NCC(C(C)C)C(C)C 1474430563 HSPDPYSAQICHMA-UHFFFAOYSA-N 260.381 3.907 30 20 CHED N#Cc1cc(NC(=O)c2cccc(C3CC3)c2)c(F)cc1F 1132470488 PANUKGNGTKLBSC-UHFFFAOYSA-N 298.292 3.966 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc2cccnc2c1 791858610 CMZNICUUHMEYPQ-UHFFFAOYSA-N 267.328 3.909 30 20 CHED CCCCCCCCCN1C(=O)C[C@]2(CCSC2)C1=O 790504641 UYQUBXVJAKCFKE-INIZCTEOSA-N 297.464 3.619 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1cccnc1)C2=O 798232644 YVVMRJBYHMIDAN-RIYZIHGNSA-N 253.326 3.720 30 20 CHED CC[C@H](C)Oc1cc(C=NOCCSC)ccc1OC 794573314 WRQKCMMGUUANRM-LBPRGKRZSA-N 297.420 3.586 30 20 CHED Cc1nc2cc(C(=O)OCCCC(C)(C)C#N)ccc2o1 795675687 LKONMOGPDZZIDN-UHFFFAOYSA-N 286.331 3.623 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 790201742 KEUZFMPGBJZCNY-UHFFFAOYSA-N 283.162 3.563 30 20 CHED Cc1ccc(C)c(NC(=O)c2cc(F)c(C#N)c(F)c2)c1 1135602041 WGHFHCORFTZILS-UHFFFAOYSA-N 286.281 3.706 30 20 CHED FC(F)(F)CCNN=C1CCC[C@H](c2cccnc2)C1 799887390 WPJUSPDKNVXUFC-NSHDSACASA-N 285.313 3.637 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C(C)C 798556347 IHEZMNWBGKBXGY-ZFWWWQNUSA-N 298.386 3.793 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1c1ccc(C)cc1 791069120 HPVJLAOYNLUOQW-IAGOWNOFSA-N 284.403 3.643 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccnn1C(C)C 794516253 RLCWQDFZXKRBAU-AWEZNQCLSA-N 264.417 3.746 30 20 CHED C=CCCCOC(=O)c1ccc2[nH]c(C)c(C)c2c1 735524260 LYMPCUQUBBQMOD-UHFFFAOYSA-N 257.333 3.908 30 20 CHED Cc1cc(C#N)ccc1Oc1nc(C)c(C#N)cc1Cl 564635244 VBFDKLLUNHPTIY-UHFFFAOYSA-N 283.718 3.888 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1cccc3nccn13)C2=O 798232574 XPIDLPSKACIZEY-GDNBJRDFSA-N 292.363 3.972 30 20 CHED O=C1/C(=C\c2ccccc2F)COc2cc(F)ccc21 794728926 XGDQXWCUPVDHNZ-XFFZJAGNSA-N 272.250 3.624 30 20 CHED CCc1nn(C)cc1/C=C1\CC(C)(C)c2ccccc2C1=O 794967872 ITKAAMNVFWDHFK-JLHYYAGUSA-N 294.398 3.930 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1c(C)cnn1C)C2=O 794711784 MQLCZMYAGVZSQG-ZROIWOOFSA-N 280.371 3.558 30 20 CHED CCCCCCCC(=O)Nc1cccc(N2CCC2=O)c1 791090801 AYZGTXONGKDXQC-UHFFFAOYSA-N 288.391 3.722 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1cc(Cl)cc(Cl)c1 797801005 VIGSIALQVQMWBN-UHFFFAOYSA-N 296.109 3.986 30 20 CHED CC(C)(C#N)CCSc1nnc(C2CC2)n1C1CC1 87324193 XVWUPQRHAJCDTB-UHFFFAOYSA-N 276.409 3.522 30 20 CHED C[C@@H](Cc1cccc(F)c1)Nc1cccc(C#N)c1 133599326 QDRFQGTYSSHSNZ-LBPRGKRZSA-N 254.308 3.740 30 20 CHED Cc1ccnc(N(C)[C@H](C)CSc2ccccc2)c1C#N 1163675822 MGCZHNZZZQCFAJ-CQSZACIVSA-N 297.427 3.879 30 20 CHED Cc1cccc(C2=CCN(c3ncccc3C#N)CC2)c1C 1164343207 ZMAKADCJQAXKSI-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C[C@@H]1CN(c2ccnc(C#N)c2)CCc2ccc(Cl)cc21 1163656398 DXHJEMSSYUKQGL-GFCCVEGCSA-N 297.789 3.773 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H](C)C1CCCCC1 1169941645 CVXLSQHAPSZSBA-AWEZNQCLSA-N 286.419 3.967 30 20 CHED C[C@@H](C(=O)Oc1ccc(C#N)cc1)c1ccc(F)cc1F 1318749699 GGFRTLIRLKLREY-SNVBAGLBSA-N 287.265 3.546 30 20 CHED CCC[C@H](CNc1ncc(Cl)c(C)c1C#N)OCC 1163801480 HMOOWJFIEFFFEH-LLVKDONJSA-N 281.787 3.532 30 20 CHED Cc1cccnc1CC(=NOC(C)(C)C)C(F)(F)F 1319802385 CKBXWQINICJCPQ-UHFFFAOYSA-N 274.286 3.666 30 20 CHED CCc1ccc2c(c1)CCN(Cc1cccc(C#N)c1F)C2 1177008842 PCGFKZYCOYUQLO-UHFFFAOYSA-N 294.373 3.818 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1ccc(C)c(C)c1 1321458271 CFADOHZFXDZGLS-CLFYSBASSA-N 282.339 3.914 30 20 CHED CCC(=Cc1nnc(-c2cccc(C#N)c2)o1)CC 1322342566 DOYPEYVTSBXLLN-UHFFFAOYSA-N 253.305 3.812 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc2cc(Cl)ccc2o1 1255018531 HJRONZQTXFCVAU-GWCFXTLKSA-N 279.767 3.938 30 20 CHED CC(C)(C#N)CNC(=O)c1ccc(-c2cccs2)s1 1254501878 TYVMJYIWQUWABN-UHFFFAOYSA-N 290.413 3.756 30 20 CHED Cc1cccc(CN(C)C(=O)c2csc(C#N)c2)c1C 1330607519 JWPPBDZEFHPFOA-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@H](CC(C)C)C1 1339828230 AFGYYHOYIZTBPQ-GFCCVEGCSA-N 298.381 3.664 30 20 CHED C=C(C)CCC(=O)NC[C@@H](C)Sc1ccccc1 1337166805 XLYRVMDTVGUUSD-CYBMUJFWSA-N 263.406 3.640 30 20 CHED Cc1ncsc1CSCc1ccc(C#N)cc1 1261209117 SBCBUDQPNYAMDF-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C=C(C)C(C)(C)c1nnc(-c2ccccc2OC)o1 1261574650 GFUNKXPMQBPRFL-UHFFFAOYSA-N 258.321 3.599 30 20 CHED C=C(CC(C)C)C(=O)Nc1c[nH]nc1-c1ccccc1 1348140042 KVYNEOCSCWXNLW-UHFFFAOYSA-N 269.348 3.618 30 20 CHED N#CC1(CNc2nc(-c3ccccc3)cs2)CCOCC1 1262713695 URSPBRSYNRREPZ-UHFFFAOYSA-N 299.399 3.542 30 20 CHED C=C[C@@H](CC(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1344003450 GVRMOGLSTVGNJP-ZFWWWQNUSA-N 294.329 3.757 30 20 CHED N#CCCCOC(=O)C1(c2cc(F)cc(F)c2)CCCC1 1342644164 IOFDDQFGAZKLQW-UHFFFAOYSA-N 293.313 3.624 30 20 CHED C=CCCOCCN[C@@H](c1cccc(C)c1)c1ccccn1 1262202603 XVIVSJTVXBNNAX-IBGZPJMESA-N 296.414 3.662 30 20 CHED C[C@]1(C(=O)Nc2ccc(F)c(C#N)c2)CCc2ccccc21 1358065486 LNEVSQWVSPFDAG-SFHVURJKSA-N 294.329 3.540 30 20 CHED CCOc1ccc([C@@H](C)OC(=O)CC(C)(C)C#N)cc1 1358324043 MDNOSUYETUARME-GFCCVEGCSA-N 275.348 3.629 30 20 CHED C=C(C)CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 1354900236 XUGQMIMNYJKFCQ-SMDDNHRTSA-N 281.758 3.808 30 20 CHED Cc1c(F)cccc1C(=O)Nc1ccccc1O[C@@H](C)C#N 1435648767 QZWLPGVXOCKBAJ-NSHDSACASA-N 298.317 3.677 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2cc(F)cc(C#N)c2)c1 1438461744 DVYNEJZGCCHCOJ-LBPRGKRZSA-N 282.318 3.748 30 20 CHED Cc1cccc(F)c1NC(=O)c1cc(F)c(C#N)c(F)c1 1295719093 XALKEHHDTWBOHB-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=C(CC)C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 1527680564 PXYULWHZDVLIIZ-AWEZNQCLSA-N 257.377 3.780 30 20 CHED N#Cc1cccc(C#N)c1NC[C@@H]1CCC[C@@H]1C1CC1 1458433264 SVICSKWIABCXGR-JKSUJKDBSA-N 265.360 3.668 30 20 CHED Cc1cc(CNc2ccc(C#N)cc2F)ccc1F 110316101 NRQBNVVINONTRJ-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1cccc(C)n1 1528037096 LGPRQFWLYFFDIH-MRXNPFEDSA-N 272.392 3.656 30 20 CHED C[C@H]1C/C(=C/c2cc(C(=O)O)co2)C(=O)c2sccc21 1609843814 WOYUXWJFMKVJCV-HXOPTJOXSA-N 288.324 3.813 30 20 CHED Cc1nsc(N(C)C[C@@H](C)C2CCCCC2)c1C#N 1612727647 DAFVMEFXAKYVGL-LLVKDONJSA-N 277.437 3.976 30 20 CHED C=C(Cl)CN(CCc1ccccc1)Cc1cccnc1 1473446385 LGDWWPMGLVJURN-UHFFFAOYSA-N 286.806 3.879 30 20 CHED Cc1ccc2c(c1)N(c1nc(C)c(C#N)cc1Cl)CC2 1639353583 RIDPXTDRBWZAGU-UHFFFAOYSA-N 283.762 3.918 30 20 CHED N#Cc1c(F)cccc1SCC(=O)CCc1ccccc1 1641163104 UAFDDTQMAKJOCT-UHFFFAOYSA-N 299.370 3.991 30 20 CHED N#Cc1ccnc(S[C@H](C#N)CCc2ccccc2)c1 1651762422 MIUVWHIRYOBUFU-HNNXBMFYSA-N 279.368 3.570 30 20 CHED N#Cc1cc(F)cc(NCCc2ccc(F)cc2F)c1 1652959593 IXDOVIGUBJRTGO-UHFFFAOYSA-N 276.261 3.630 30 20 CHED COc1cc(CNc2ccc(F)c(F)c2C)ccc1C#N 1651208407 LNJUHEPULCZRCC-UHFFFAOYSA-N 288.297 3.766 30 20 CHED CN(c1cccc(C#N)n1)[C@H]1CCC[C@@H]1C(C)(C)C 1651158731 YPLMSAAENUFSOE-KBPBESRZSA-N 257.381 3.604 30 20 CHED COc1cccc2c(CN3CCC[C@](C)(C#N)C3)cccc12 1652001235 MSSSBTYVJUOJMM-LJQANCHMSA-N 294.398 3.974 30 20 CHED CCCCCCCCCC(=O)NC[C@@H]1CCC[C@@H](O)C1 122667499 MDQPHSZPEZCJGX-HZPDHXFCSA-N 283.456 3.794 30 20 CHED C[C@@H]1CN(C(=O)[C@H](CC#N)c2ccccc2)CC(C)(C)C1 1597492803 MYHVFKAERLSEPB-GOEBONIOSA-N 284.403 3.578 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(C#N)c(F)c1 1596289107 PSKANTXKUNSGST-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED Cn1cc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)cc1C#N 232314126 RNRFLGAUJPCROE-JKSUJKDBSA-N 273.424 3.591 30 20 CHED Cc1cccc(Cl)c1NN=C1CC[C@@H](CC(=O)O)[C@H]1C 1776060690 JHYJYMWPYJCHJE-MNOVXSKESA-N 294.782 3.937 30 20 CHED C[C@@H](ON=C1CC[C@@H](CC(=O)O)[C@H]1C)c1ccccc1 1776083279 VIYPGOCEPNUZBC-BZPMIXESSA-N 275.348 3.641 30 20 CHED Cc1ccc(C(=O)O)cc1C(=O)/C=C\c1ccsc1 1777436440 YEDGQDGXZJQCEV-HYXAFXHYSA-N 272.325 3.651 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCC1(C)CCC1 1776783110 FZHBWAINDPMELQ-CQSZACIVSA-N 269.429 3.970 30 20 CHED Cc1c(NN=Cc2ccc3c(c2)CCC3)cccc1C(=O)O 1776086980 AYUFJVZLCUQRHD-UHFFFAOYSA-N 294.354 3.628 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C)s1)C1(C#N)CCC1 150816349 OBCLIGRTEPGLFT-UHFFFAOYSA-N 276.405 3.564 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C#N)cc1OCC 151163069 MGUUDSHEQQZKDR-UHFFFAOYSA-N 285.343 3.631 30 20 CHED CC(C)(C)c1nn(CC2CCCC2)c(O)c1CCC#N 153493074 XUWAMLOSMWLRAY-UHFFFAOYSA-N 275.396 3.533 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(C(C)C)c1 155589772 BENPTCKUWNAMCS-CYBMUJFWSA-N 259.353 3.624 30 20 CHED Cc1cccc([C@@H](C)NCc2ccc(OCC#N)cc2)c1 157182851 MSSYNMKNXOEJCU-OAHLLOKOSA-N 280.371 3.748 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 37212088 BICKDNSMVGQLNY-ZDUSSCGKSA-N 265.360 3.797 30 20 CHED C=CCN(C(=O)c1cc(Cl)nc2ccccc12)C(C)C 37987718 PYZDGJBMGFGWDO-UHFFFAOYSA-N 288.778 3.925 30 20 CHED Cc1ccc(OC[C@H](O)c2ccc(C#N)cc2)c(Cl)c1 305331856 QHDXZGJGMOTEHZ-HNNXBMFYSA-N 287.746 3.633 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cccc(OCC#N)c1 308086037 HMQVKMKUMDUMRM-CYBMUJFWSA-N 274.364 3.600 30 20 CHED COC1CCC(Nc2ccc(Cl)cc2C#N)CC1 413423867 VUOXUTPEJNBXPF-UHFFFAOYSA-N 264.756 3.581 30 20 CHED CCc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)s1 720267657 IHFLBRAEUVRBDM-UHFFFAOYSA-N 274.320 3.574 30 20 CHED CCCCN(Cc1ccc(CC#N)cc1)CC(F)(F)F 399013079 CPGXVPRPHIVHGJ-UHFFFAOYSA-N 284.325 3.917 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 54454823 QFHKDFVUWSRUHX-UHFFFAOYSA-N 289.382 3.841 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1 23164313 WSWOITTVTAVISO-DHZHZOJOSA-N 279.339 3.850 30 20 CHED COc1cc(C)ccc1NCc1ccc(O[C@@H](C)C#N)cc1 178196271 VGTIAZJGGIIVIZ-AWEZNQCLSA-N 296.370 3.907 30 20 CHED C=CCCCC(=O)N(CC)c1ccc(F)c(F)c1 177524622 STZNCMPTXPKEQR-UHFFFAOYSA-N 253.292 3.674 30 20 CHED CC[C@H](CC#N)NCc1cccc(Cl)c1Cl 54182069 BUZXWYLIBFSMDC-SNVBAGLBSA-N 257.164 3.775 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)CCC1CCCC1 110013359 BUULDLRQHQQFOV-IBGZPJMESA-N 298.430 3.988 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)cs2)C1 177044477 DZFILANMNDDISU-CHWSQXEVSA-N 276.405 3.564 30 20 CHED C=CCSCCNC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 175401137 AJYBKAWJRRGAIF-CHWSQXEVSA-N 284.469 3.514 30 20 CHED COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2)ccc1O 107066946 YOJDIJYNLAFGNA-GQCTYLIASA-N 282.339 3.914 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1-c1nc(C(C)C)no1 116849985 BYSNSQPYQVIEJN-GFCCVEGCSA-N 299.374 3.554 30 20 CHED C=CCCCSCC(=O)N(C1CCCC1)C1CC1 173828399 RSALRMCWCQMAES-UHFFFAOYSA-N 267.438 3.619 30 20 CHED CC(C)c1ccc(CCC(=O)N2CCC(C#N)CC2)cc1 61584513 FCMAPUISACDZAU-UHFFFAOYSA-N 284.403 3.505 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)c1 303312283 PFFIIDCGZSESQD-HWKANZROSA-N 297.310 3.813 30 20 CHED Cc1cccc(NC(=O)N(C)Cc2cccc(C#N)c2)c1F 179955018 GINUJQWLILLOJB-UHFFFAOYSA-N 297.333 3.670 30 20 CHED N#CCCCCN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 178650027 RFSMSBMJUNDGCD-CQSZACIVSA-N 298.308 3.856 30 20 CHED CSCc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 66550951 UMHZGBYQKFKRJZ-UHFFFAOYSA-N 296.395 3.868 30 20 CHED C=CCN(CC=C)CCCOc1cccc(Cl)c1 65222981 CNMKOMBWFDQVSU-UHFFFAOYSA-N 265.784 3.783 30 20 CHED CCSc1ccc(C(=O)Nc2cccc(C#N)c2C)cn1 178380456 QJFCGSQTXOKFQR-UHFFFAOYSA-N 297.383 3.626 30 20 CHED N#C[C@@H](C(=O)CCC1CC1)c1nc(-c2ccncc2)cs1 115909123 BOSKDUVIJQZRTI-ZDUSSCGKSA-N 297.383 3.572 30 20 CHED C=C(C)CCOC(=O)Cc1c[nH]c2c(C)cccc12 174802263 OYGUHVVWNDQTMX-UHFFFAOYSA-N 257.333 3.528 30 20 CHED C#CCCCN[C@@H]1CCCOc2c(Cl)cccc21 178054524 JORYSTACKGTEBR-CQSZACIVSA-N 263.768 3.557 30 20 CHED COc1ccc([C@@H](C)N(C)c2ccc(F)cc2C#N)cc1 301539273 RSLPPZVKYAVDHF-GFCCVEGCSA-N 284.334 3.903 30 20 CHED COc1ccc([C@H](C)CCNc2cccc(C#N)n2)cc1 301440244 UCUIKMLXTBUNCH-CYBMUJFWSA-N 281.359 3.568 30 20 CHED CC(C)(C)N/C(N)=N/CC1(c2cccs2)CCCCC1 304762775 VXSVECKFYVPKOM-UHFFFAOYSA-N 293.480 3.653 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(C#N)cc1F 174039393 JZFOEXXYBXWUHE-LBPRGKRZSA-N 280.412 3.661 30 20 CHED COc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 34347900 BTRGMYGZINYOOJ-UHFFFAOYSA-N 294.354 3.749 30 20 CHED Cn1nccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 31823890 KULWKXZVZGYSKR-HWKANZROSA-N 281.142 3.623 30 20 CHED C#Cc1cccc(NC2CCC(c3nc(CC)no3)CC2)c1 188075455 HVZQMZGMWKEFRF-UHFFFAOYSA-N 295.386 3.752 30 20 CHED COc1ccc(Cl)cc1N[C@H]1CCC[C@@H](C#N)C1 185735293 AXYAXBHAMRZGBZ-PWSUYJOCSA-N 264.756 3.843 30 20 CHED CCc1cc(NC(=O)C2(C#N)CCCC2)c2ccccc2n1 180474103 FQTLUOTVDQWMML-UHFFFAOYSA-N 293.370 3.820 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 79720663 KMOUQWOZYMJWMT-QGZVFWFLSA-N 295.342 3.707 30 20 CHED N#Cc1cccc(COc2ccc(NCC3CC3)cc2)c1 127907001 WVZJGAHSTFEDPG-UHFFFAOYSA-N 278.355 3.959 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)C1(C)CC1 181097226 JVPFHKPPDNUIHA-STQMWFEESA-N 252.402 3.561 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(Cl)cc1 155638657 RYTHCKPOEHNDCF-GFCCVEGCSA-N 253.773 3.583 30 20 CHED CS[C@@H]1CCC[C@H](Nc2nc(Cl)c(C#N)s2)C1 235249092 YMRPIUIXNVZGMT-JGVFFNPUSA-N 287.841 3.754 30 20 CHED COc1ccc(C(=O)/C=C\c2sccc2C)cc1OC 33410662 GAKJKDNFDNZMEU-ALCCZGGFSA-N 288.368 3.970 30 20 CHED CC[C@@H](CNc1ccc(C#N)cn1)c1ccccc1 73868978 QXRGTRFJWXWWDN-AWEZNQCLSA-N 251.333 3.559 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cncc(C)c1 189801295 GJWWLIHLQGPLIZ-UHFFFAOYSA-N 282.387 3.587 30 20 CHED Cc1cccnc1[C@@H](NCC#Cc1ccc(F)cc1)C(C)C 121905975 QCKXJSNAARCAND-SFHVURJKSA-N 296.389 3.868 30 20 CHED CCOC1CC(CSCc2ccc(C#N)cc2)C1 507115987 JRNHJNJSUFASLP-UHFFFAOYSA-N 261.390 3.607 30 20 CHED C#CCOC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 73932484 DZDRQQKBGAKFTB-QWHCGFSZSA-N 297.379 3.523 30 20 CHED CC[C@H]1C[C@@]1(NCCCSCC#N)c1cccc(C)c1 502592531 GGKVSDHMHJEQPV-RDJZCZTQSA-N 288.460 3.857 30 20 CHED CCCCCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505953163 GPPLYZCUFYYFBB-ZDUSSCGKSA-N 298.308 3.967 30 20 CHED CC(C)(C#N)CCN[C@@H]1CCC[C@@H]1OCc1ccccc1 503525551 HDRGJKWAGLKMDF-SJORKVTESA-N 286.419 3.654 30 20 CHED CC1(C)CN(c2ccc(C(F)(F)F)c(C#N)c2)CCCO1 315477319 LWZXVIADIQMHBV-UHFFFAOYSA-N 298.308 3.582 30 20 CHED CCN(Cc1ccc(C#N)s1)Cc1occc1C 414549875 MNZXHGUSJNWDCZ-UHFFFAOYSA-N 260.362 3.543 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(C(C)C)s1 188566090 LJWDMTJBRBLOHP-ZDUSSCGKSA-N 252.383 3.807 30 20 CHED Cc1cc(CNc2ccc3c(c2)COC3)ccc1C#N 336367786 GQSDQVHFIIVDQW-UHFFFAOYSA-N 264.328 3.509 30 20 CHED C[C@@H](NCCCC#N)C1(c2ccccc2)CCCC1 185958976 ZRNCZCRKAQWGHO-OAHLLOKOSA-N 256.393 3.780 30 20 CHED CCN(Cc1c(C)cc(Cl)cc1C)C[C@@H](C)C#N 509765704 KTGBVLLHIUDWKR-NSHDSACASA-N 264.800 3.938 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H](C)[C@@H](C)CC 507301208 JVBVJSYGVZOVBY-UONOGXRCSA-N 266.429 3.847 30 20 CHED C=C(C)CCc1noc([C@@H](C)c2ccccc2F)n1 508616784 XACYHMWEHBCEIB-NSHDSACASA-N 260.312 3.869 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N1CCCc2cc(C#N)ccc21 411004336 WIXUXWACPOANGD-GDBMZVCRSA-N 282.387 3.664 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2cc(C)ccc2o1 410123117 FFLBYEYYIOPJEZ-CYBMUJFWSA-N 257.333 3.826 30 20 CHED COC[C@H](C)CC(=O)Nc1scc(C(C)(C)C)c1C#N 410922542 ACTLCLHCPVNGNO-SNVBAGLBSA-N 294.420 3.528 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C#N)cc1 188097166 HMUKBSMWTYDDDZ-CQSZACIVSA-N 275.355 3.623 30 20 CHED C=C(C)CCc1noc(CCOc2cccc(C)c2C)n1 508636533 LKSIUTBFCWOSTB-UHFFFAOYSA-N 286.375 3.817 30 20 CHED C#CCN(C)C(=O)N(c1ccccc1)c1ccccc1 191995865 RCOGMYLOBJUVLG-UHFFFAOYSA-N 264.328 3.510 30 20 CHED C=C[C@@](C)(CC)C(=O)NC12CC3CC(CC(C3)C1)C2 191790571 IVSGYFYNPBTLPQ-AIWVUANBSA-N 261.409 3.674 30 20 CHED CCOC[C@@H]1CCCCN1CCC1(C#N)CCCCC1 411826137 SITYPJPIELWJJR-INIZCTEOSA-N 278.440 3.742 30 20 CHED O=C(/C=C/c1cc(Cl)cs1)c1cc(O)ccc1O 195339030 VSPWTTTUSLJXSE-DUXPYHPUSA-N 280.732 3.709 30 20 CHED CCCCCCCCC(=O)NCCc1ccccc1O 195609706 LWDPPWRUORDNOY-UHFFFAOYSA-N 277.408 3.802 30 20 CHED CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 46443292 DPGOMTFFPKCLGL-LLVKDONJSA-N 276.748 3.660 30 20 CHED COCCc1ccccc1N[C@H](C)c1cccc(C#N)c1 228073988 SXPKDSXSNVJCAT-CQSZACIVSA-N 280.371 3.920 30 20 CHED CC1(C)CC(/C(O)=N/[C@H]2CCCO[C@@H]2c2ccncc2)C1 329114106 SEQDOSHPVNKIES-LSDHHAIUSA-N 288.391 3.694 30 20 CHED Cc1c(C#N)cccc1-c1nc(Cc2cccs2)no1 511171963 IDJAWUNXPMIKGF-UHFFFAOYSA-N 281.340 3.569 30 20 CHED N#Cc1cc(F)ccc1CN(C#N)c1ccccc1Cl 429790763 WTHKPXLJRZDXTC-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1 228172911 ZKOYQJNNAVGUMF-SNVBAGLBSA-N 279.181 3.700 30 20 CHED CN(Cc1ccoc1)c1ccc(Br)cc1C#N 130434852 WTBNLCJFBUICLG-UHFFFAOYSA-N 291.148 3.550 30 20 CHED CC(C)(C)c1csc(N/C(O)=N/[C@@H]2CSC2(C)C)n1 328740263 LRLQHOLEUNPERC-SECBINFHSA-N 299.465 3.661 30 20 CHED N#Cc1cc(NCc2cc3ccccc3nc2O)ccc1F 194609356 SXFMJOVLZUHSIL-UHFFFAOYSA-N 293.301 3.563 30 20 CHED O=C(C#Cc1ccccc1)N1CCCCC[C@H]1c1ccco1 81786697 UKNVKUMSVNBRME-KRWDZBQOSA-N 293.366 3.775 30 20 CHED C#CCCCC(=O)Nc1cc(C2CCCCCC2)[nH]n1 192124114 ZOVDMLQLFQUDFE-UHFFFAOYSA-N 273.380 3.590 30 20 CHED COc1cccc([C@@H](C)/N=C(/O)NC2(C)CCCCC2)c1 330792312 DHVSVNGSQYZPAO-CYBMUJFWSA-N 290.407 3.983 30 20 CHED Cc1nnccc1N=C(O)N[C@H]1CCCC[C@H]1C(C)(C)C 330156354 OPCLEKNOFBKNPU-OCCSQVGLSA-N 290.411 3.525 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)COCc1ccccc1 190973559 UTCYYEIJZQTNOP-QAPCUYQASA-N 289.419 3.558 30 20 CHED CC[C@@H](C)CN(C)Cc1cccc(OCCCC#N)c1 91796259 URLFYTPTORGBBU-OAHLLOKOSA-N 274.408 3.847 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cncc(Cl)c1Cl 335618013 NTLIJIMVRYMFIA-UHFFFAOYSA-N 273.163 3.929 30 20 CHED CC(C)(C)C[C@@H](NC(=O)NCCC#N)c1ccc(F)cc1 426425404 QBLXLISTYXDZMS-CQSZACIVSA-N 291.370 3.516 30 20 CHED Cc1cc(N2CCCC2)ccc1N[C@H]1CC[C@H](C#N)C1 334770013 BBKOCXFUSWPKQU-GJZGRUSLSA-N 269.392 3.699 30 20 CHED C=CCOc1ccc(CNC(=O)c2cc(C)ccc2F)cc1 519654477 DFKJGHARFXWSQI-UHFFFAOYSA-N 299.345 3.629 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC1CCC(OC)CC1 90000818 GFBLWNDCGQWJNG-UHFFFAOYSA-N 294.439 3.560 30 20 CHED CCC1(CC)CCC(/N=C(/O)c2c[nH]c(C#N)c2)CC1 331014932 LDZHAJDBJCQLPK-UHFFFAOYSA-N 273.380 3.940 30 20 CHED OC(=Nc1cnns1)N1CCC[C@@H]1CCC1CCCC1 330256205 KKSYNYCEAKVOIO-GFCCVEGCSA-N 294.424 3.518 30 20 CHED CCOCc1ccc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)cc1 331311303 ZOPSDUPNWHNUMM-SWLSCSKDSA-N 276.380 3.738 30 20 CHED COc1ccccc1/C=C1\CCc2c(OC)cccc2C1=O 140186173 KNSJGDZFXYHQOJ-WYMLVPIESA-N 294.350 3.916 30 20 CHED CCSCC[C@H](C)N(C)CC(C)(C)CCC#N 93871115 ZDWAORGMHFVUMM-ZDUSSCGKSA-N 256.459 3.780 30 20 CHED CCCCOc1ccc(CN(C)[C@H](C)CC#N)cc1OC 93090917 FQKKQCWUKTUBQY-CQSZACIVSA-N 290.407 3.608 30 20 CHED C[C@H](C(=O)NCC#Cc1ccccc1)c1cccc(Cl)c1 525674496 KSWVNDFHZNCEHY-AWEZNQCLSA-N 297.785 3.611 30 20 CHED C=C[C@H](Cc1nc(-c2ccc(O)cc2)no1)c1ccccc1 436779286 VCBYTQGQNBAHFH-CYBMUJFWSA-N 292.338 3.955 30 20 CHED CC[C@@H](CC(=O)Nc1cc(C#N)ccc1OC)C(C)C 521462613 PWAZYPIPGFAETJ-ZDUSSCGKSA-N 274.364 3.578 30 20 CHED C[C@H](C(=O)N(C)c1cccc(C#N)c1)c1cccc(Cl)c1 525655790 BGOGCXWWHYRECK-LBPRGKRZSA-N 298.773 3.978 30 20 CHED CC(C)c1ccoc1C(=O)N[C@H](C#N)c1ccccc1F 341456362 PPYFRDIGPKZECU-CQSZACIVSA-N 286.306 3.537 30 20 CHED C=CCNC(=O)NCc1ccccc1Oc1ccc(C)cc1 524604512 QXWPIQWQWMDXHW-UHFFFAOYSA-N 296.370 3.773 30 20 CHED Cc1ccccc1CC(C)(C)NC[C@H](C)CCC#N 602562951 IRBZODCNQIUQOC-CQSZACIVSA-N 258.409 3.846 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)CCc1ccc(C#N)cc1 609034595 YGKZOKPTGXUPHC-QZTJIDSGSA-N 298.430 3.966 30 20 CHED CCO[C@@H](CC(=O)Nc1cccc(C#N)c1C)C1=CCCC1 432340991 RMTHXPVPTMGLRT-KRWDZBQOSA-N 298.386 3.711 30 20 CHED CC(C)(CC(=O)NCCCC#N)Cc1ccc(Cl)cc1 438455357 AJJVEHNBXYDWKW-UHFFFAOYSA-N 292.810 3.719 30 20 CHED CC(C)(CC(=O)NC(C)(C)C#N)Cc1ccc(Cl)cc1 527369771 QCKRKESTQVRJSF-UHFFFAOYSA-N 292.810 3.717 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1sc(CCC)nc1C 438446263 VEGIUSUQQWOMRT-OAHLLOKOSA-N 296.436 3.571 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)C(F)F 348133659 XIPFFHWXROSZGU-UHFFFAOYSA-N 297.345 3.501 30 20 CHED C=CCCCC(=O)Nc1cn(CC(C)C)nc1C(F)F 342032619 NDSWZIFOGMQDBP-UHFFFAOYSA-N 285.338 3.772 30 20 CHED Cc1ccnc(N(C)C2CCC(C(F)(F)F)CC2)c1C#N 341059430 ZGCDDCBYKCQIOO-UHFFFAOYSA-N 297.324 3.819 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC1(C)CC1 342461839 MTFDLJQCSDWPFG-UHFFFAOYSA-N 289.423 3.559 30 20 CHED C=C(C)[C@@H](NCC1(CC#N)CC1)c1ccc(F)c(F)c1 602820444 UFGSVKXAQUFAJD-OAHLLOKOSA-N 276.330 3.865 30 20 CHED C[C@H](SC[C@H]1CCO[C@H]1C)c1ccc(C#N)cc1 601050834 SHAHLNCGCXWKPB-SLEUVZQESA-N 261.390 3.777 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1c(C)oc2ccccc12 349934757 PDRGZPGRRSOJNE-CYBMUJFWSA-N 286.375 3.895 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2cncc(F)c2)n1 340830383 RZILCKAWPNCAFU-AATRIKPKSA-N 273.311 3.628 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 255773149 PBWSXUAOHMXMKX-UTCJRWHESA-N 289.237 3.769 30 20 CHED COc1ccc(/C=C2\CCCC(C)(C)C2=O)cc1C#N 255168622 JAEBHGKZJAVEHS-UKTHLTGXSA-N 269.344 3.729 30 20 CHED CC[C@H](F)CSc1nc2c(cc1C#N)CCCC2 440577042 RUAPZKUAZCCFTK-LBPRGKRZSA-N 264.369 3.672 30 20 CHED Cc1cc(CN[C@@H](CCC#N)c2ccccc2)sn1 602580015 DESUANGMICQULF-HNNXBMFYSA-N 271.389 3.586 30 20 CHED CCN(C(=O)c1cc(C#N)[nH]c1C)[C@@H](C)c1ccc(F)cc1 448743855 KLQVGJXCANICBO-LBPRGKRZSA-N 299.349 3.557 30 20 CHED C=CC[C@@H](C)NC(=O)N(CCC)Cc1ccc(C)cc1 604901007 QJVHCYYZHQQFOT-OAHLLOKOSA-N 274.408 3.881 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C\c1cccs1 255908862 OQXYSHLOWYBIGM-KTKRTIGZSA-N 299.395 3.643 30 20 CHED Cc1cc(CN2CC(C)(C)[C@@H]2c2ccncc2)ccc1C#N 353700725 XYKXOUVDARAJMX-SFHVURJKSA-N 291.398 3.845 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(CC(F)(F)F)cc2)C1 442864878 SHRADJINEYSPCT-AAEUAGOBSA-N 268.282 3.896 30 20 CHED C=C1CCN(c2nnc(-c3ccccc3)n2CC2CC2)CC1 612553507 RAKKJNJVWQAOIP-UHFFFAOYSA-N 294.402 3.512 30 20 CHED C=CC(C)(C)C(=O)NCc1c(OC)ccc2ccccc12 448652597 YCLDRBDLZZRHGR-UHFFFAOYSA-N 283.371 3.677 30 20 CHED Cc1cc(N2CCC[C@@](C)(C#N)C2)c2cccc(F)c2n1 612107390 QCWMEGDCWFTVGB-KRWDZBQOSA-N 283.350 3.812 30 20 CHED C=CCC1(NC(=O)c2ccc(F)c(F)c2)CCCC1 619105010 AOADXCYACKKBCB-UHFFFAOYSA-N 265.303 3.584 30 20 CHED COC1(CNc2ncc(C#N)cc2Cl)CCC(C)CC1 359943031 OSKGZLPXLHOAEG-UHFFFAOYSA-N 293.798 3.614 30 20 CHED Cc1cccc2c(=NCc3cccs3)c(C#N)c[nH]c12 610211407 UVOSRIBZJPCJJJ-UHFFFAOYSA-N 279.368 3.510 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CCCC(=O)C(C)(C)C 448915110 CDZKZQSGZPUQSU-UHFFFAOYSA-N 294.439 3.560 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)N[C@H](C)c1cccc(C#N)c1 610484890 AHIYHJNMZNNXOC-OEUWWYETSA-N 299.418 3.743 30 20 CHED C=C(C)CCNC[C@H](C)Cc1ccc(OC)c(F)c1 449476913 NZUVDDLELJLOKG-CYBMUJFWSA-N 265.372 3.569 30 20 CHED N#C[C@H](Sc1ccc(Cl)nn1)C1CCCCC1 265153616 GTILFLZPHNFTMV-JTQLQIEISA-N 267.785 3.695 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 611392948 YGGYORGSNXNUFM-DIFFPNOSSA-N 295.386 3.891 30 20 CHED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccon1 360884136 NPJFQLDKRAQJKJ-YVEFUNNKSA-N 281.359 3.665 30 20 CHED CCCc1cc(C(=O)Nc2cc(CC#N)ccn2)sc1C 531925499 NVXGGARTHSZVIX-UHFFFAOYSA-N 299.399 3.722 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1nccc2ccccc12 611254408 PXLJBSXXTHQDEF-UHFFFAOYSA-N 287.366 3.738 30 20 CHED CCN(Cc1cnccc1C)[C@H](C)c1ccc(C#N)cc1 269566282 KTIGYVREWSXQAM-OAHLLOKOSA-N 279.387 3.845 30 20 CHED C=CCC1(C(=O)N2CCc3ncsc3C2)CCCCC1 451000966 JEHMLXSHOFBVMQ-UHFFFAOYSA-N 290.432 3.554 30 20 CHED C=CCC[C@H](CCC)N[C@@H](CCO)c1ccccc1 360238278 MIBPBVLREMDINJ-IRXDYDNUSA-N 261.409 3.835 30 20 CHED C=CCC[C@@H](NCc1cc(F)cc(OC)c1)C1CC1 539066896 QOVAAAZEESIMJF-MRXNPFEDSA-N 263.356 3.669 30 20 CHED Cc1ccccc1[C@H](c1noc([C@]2(C#N)C[C@H]2C)n1)C(C)C 453184817 SQQHVZPBZCQABL-SIIHOXLZSA-N 295.386 3.967 30 20 CHED C#CC[C@@H](NC(=O)Nc1cc(C(C)C)on1)c1ccccc1 270329341 LZUXRUXXUWVMCU-CQSZACIVSA-N 297.358 3.684 30 20 CHED Cc1csc([C@H](C)CNc2ccc(Cl)c(C#N)n2)n1 273335393 RRCOWNUBHHIPSB-MRVPVSSYSA-N 292.795 3.587 30 20 CHED CCOc1ccc2nc(S[C@@H]3CC[C@@H](C#N)C3)[nH]c2c1 450621285 ICGBIXFJEKBFSB-ZYHUDNBSSA-N 287.388 3.746 30 20 CHED N#CCCCC(=O)Nc1nc(-c2ccccc2F)cs1 360040002 VSOWPNNTLNXJKD-UHFFFAOYSA-N 289.335 3.582 30 20 CHED N#C[C@@H]1CC[C@H](Sc2ncccc2Br)C1 278631067 UDFCTWRZJXSWJV-BDAKNGLRSA-N 283.194 3.628 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](CC)CC(C)C)C1 617777038 HANYMORVBAIRRW-GJZGRUSLSA-N 251.414 3.873 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 547954554 ITOAETKQWLQWLE-NHYWBVRUSA-N 290.794 3.910 30 20 CHED COc1ccc([C@H](NCC2(C#N)CCC2)C(F)(F)F)cc1 450708558 NIYKJVDKZNIBEK-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED CC[C@@H](C)CSc1cccc(C#N)c1[N+](=O)[O-] 450376627 HCLGDYIWWHNEJU-SECBINFHSA-N 250.323 3.605 30 20 CHED C=CCN(CCC#N)C(=O)C1=C(c2ccccc2)CCC1 452261762 IDUDQLDBJNCICI-UHFFFAOYSA-N 280.371 3.552 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(OC(C)C)c1 455781351 KXNUNKCMZROEKM-UHFFFAOYSA-N 276.380 3.808 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc3cccc(Cl)c3n2)C1 540956857 ADVMZOULIBVJOA-UHFFFAOYSA-N 299.761 3.767 30 20 CHED C=C(C)[C@@H](NC[C@@H]1CCSC1)c1ccc(F)c(F)c1 278881355 ZOCXFZFVDQZFPO-XHDPSFHLSA-N 283.387 3.925 30 20 CHED CC1(C)CCCN(C(=O)C2(Cc3ccccc3)CC2)[C@H]1C#N 277986596 QYYSUYLEFBDION-INIZCTEOSA-N 296.414 3.550 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)CCCC#N 360206246 ZRMVUKDSUSIHBH-ZDUSSCGKSA-N 250.386 3.545 30 20 CHED C=CCC1(C(=O)Nc2cnn([C@H](C)CC)c2C)CCC1 361312602 UPXAIISJNLWCOK-GFCCVEGCSA-N 275.396 3.847 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCc1cccc(C#N)c1F 543475594 YEQJDDUOBQJMOH-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 456279987 MMUQAUZFFNPONL-MSOLQXFVSA-N 297.398 3.512 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(OC(F)F)c1 274604218 IPMYRTQTAADYRU-LOWVWBTDSA-N 280.318 3.631 30 20 CHED C=C(C)CCNC(=O)[C@H](C)CSc1ccc(F)cc1 452717516 LLDYNMNKBJJGAB-GFCCVEGCSA-N 281.396 3.636 30 20 CHED Clc1ccc(C#CCNc2cccc3c2OCO3)cc1 542932396 SENLXUGULVOKNW-UHFFFAOYSA-N 285.730 3.532 30 20 CHED C=CCCc1noc(CCc2ccc(Cl)c(F)c2)n1 624637416 BOHUFHZGYCDJTH-UHFFFAOYSA-N 280.730 3.766 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 455331471 WXMJRYGDKJHICS-SXSDINLZSA-N 284.403 3.840 30 20 CHED C[C@H](C#N)CNC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 542878542 XFYWPEORJKARQG-HIFRSBDPSA-N 287.407 3.623 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)CC(C)(C)C#N 456841747 FYDZZWTZZXZLEF-ZIAGYGMSSA-N 264.413 3.649 30 20 CHED C[C@@H](NCc1ccc(CC#N)cc1)c1c(F)cccc1F 543183117 JLZIZYGBFDFCFP-GFCCVEGCSA-N 286.325 3.882 30 20 CHED C=CCCCc1nc(-c2ccnc(O[C@H](C)CC)c2)no1 546490339 FAPFEVIOEYFAKX-GFCCVEGCSA-N 287.363 3.818 30 20 CHED CC(C)(C#N)CCN[C@@H](C[C@@H]1CCOC1)c1ccccc1 272032271 PJVSDQOSUFCHFR-RDJZCZTQSA-N 286.419 3.684 30 20 CHED CCc1cccc(CC)c1NC(=O)CC(C)(C)C#N 278289053 QMVLPKSHUJYAPB-UHFFFAOYSA-N 258.365 3.690 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(SCC)cc1 453366403 QXYPYABONYFZGB-WQVCFCJDSA-N 277.433 3.793 30 20 CHED C[C@H]1CCN(C(=O)CC(C)(C)C#N)c2ccccc2S1 278583533 SGZXRTZPFSMLPP-LBPRGKRZSA-N 288.416 3.844 30 20 CHED CC[C@@H](NCCc1cccc(C)n1)c1ccc(C#N)cc1 279925827 AJLNSMCCYRPONC-GOSISDBHSA-N 279.387 3.545 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)OCC 270027431 KMSHTNBGWVGIOF-CQSZACIVSA-N 292.766 3.521 30 20 CHED Cc1ccnc(N2CCC[C@@](C)(c3ccccc3)C2)c1C#N 543209988 GNYRHPZSMUNDMB-LJQANCHMSA-N 291.398 3.820 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(OCC)c(OC)c1 620864243 XJUYVBTVSGMONO-UHFFFAOYSA-N 291.391 3.569 30 20 CHED Cc1ccc(C#N)c(Nc2cnn(C3CCCC3)c2C)n1 287874998 UADVLACVDLJCCD-UHFFFAOYSA-N 281.363 3.625 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccoc1 553004174 MVIKLFAJUQNFKL-PXAZEXFGSA-N 266.344 3.879 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1cccc(F)c1F 467457107 WCRALNJBRZARCA-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C=CCC[C@@H](CCC)NCC1(CC)CCOCC1 462124908 XMJGBXSQOSWWEI-OAHLLOKOSA-N 253.430 3.918 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]2Cc2ccccc2)c1 466479155 QORQVGADSNRTMZ-GJZGRUSLSA-N 293.326 3.510 30 20 CHED C=CCC[C@H](NC[C@H]1CCOC[C@H]1C)c1ccco1 287723190 YBMVIFMQOMZWIY-KFWWJZLASA-N 263.381 3.549 30 20 CHED C=CCCCCCCNC(=O)c1cnc2ccccc2c1O 287243235 WYKUUTYITXVOIR-UHFFFAOYSA-N 298.386 3.807 30 20 CHED COc1nc(C)cc(C)c1CSc1ccc(C#N)cc1 553718106 RXKCVUKTKFAGBC-UHFFFAOYSA-N 284.384 3.871 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](CC1CCCCC1)C(C)C 465113778 OKHPEAFPLGRGOI-HIFRSBDPSA-N 251.414 3.920 30 20 CHED CC(C)[C@H](C)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 280854312 LOCPKVYQGNNGPA-ZDUSSCGKSA-N 272.392 3.604 30 20 CHED C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)CC(C)(C)C#N)C1 288582808 XNCSFWXHIBUACJ-HOCLYGCPSA-N 284.403 3.926 30 20 CHED N#CC1(CCCOc2ccc(Cl)cc2F)CCOCC1 281439123 TULRTJRYYALSCX-UHFFFAOYSA-N 297.757 3.958 30 20 CHED C=CCCCC(=O)NCc1ccc(OCCC)cc1C 475875738 UTIAUCXGSUGPIA-UHFFFAOYSA-N 275.392 3.756 30 20 CHED C=CCN(CC=C)C(=O)CCCOc1ccc(C)cc1C 479820260 DIIJHIHJWLAJOI-UHFFFAOYSA-N 287.403 3.663 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SC[C@@H]1CCCO1 551059430 HLKICYRLRMFEHQ-HNNXBMFYSA-N 296.395 3.891 30 20 CHED C=C(C)CN(C)[C@]1(c2ccccc2)CCCCC1=O 477676444 YIARKIDLUQZEKM-KRWDZBQOSA-N 257.377 3.533 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(SC(=O)N(C)C)c1 294575087 KGZGHNLXWIJJAZ-UHFFFAOYSA-N 292.404 3.611 30 20 CHED C=CCCCCNC(=O)Cc1nc(-c2ccccc2)oc1C 471665720 DLCSHBHBPYZHBS-UHFFFAOYSA-N 298.386 3.665 30 20 CHED C#CCCCc1nc(-c2ccc(C(F)(F)F)cc2)no1 809286008 VXOBGGQKZPGYRX-UHFFFAOYSA-N 280.249 3.711 30 20 CHED CC(C)COc1ccc(CNc2cc(C#N)ccn2)cc1 804364877 XYSWGPHCTZCLHW-UHFFFAOYSA-N 281.359 3.600 30 20 CHED CCCSCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 298825618 RNHZKQVYMNBOMP-CYBMUJFWSA-N 290.432 3.611 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCCC2(CC2)C1 566394543 OQHFJGRZCIGNON-UHFFFAOYSA-N 288.439 3.577 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C(C)=O)c(C)c1 295518584 MCULRNAEAKRPRI-UHFFFAOYSA-N 259.349 3.738 30 20 CHED Cc1ccc(CCC2CCN(C(=O)CCCC#N)CC2)cc1 290945292 LJFPNEGIVZJZSU-UHFFFAOYSA-N 298.430 3.860 30 20 CHED CC(C)(C)[C@@H](NC[C@H](C#N)CCC#N)c1cccc(F)c1 567682837 AATSERDVNPCUJO-BBRMVZONSA-N 287.382 3.946 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(Cl)c(C)cc1Cl 806365372 MLAWJJKPFBVZFE-SECBINFHSA-N 285.174 3.835 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(CCC#N)CC(C)(C)C 475647717 MFSUEZBSZWQYOI-GJZGRUSLSA-N 278.440 3.991 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2cc(F)ccc2OC)cc1 809606743 COBVMELAYWVESE-ZDUSSCGKSA-N 283.346 3.666 30 20 CHED C=CCSCCNC(=O)c1ccccc1NCCCC 486446030 LIEJAWSFJNIYAS-UHFFFAOYSA-N 292.448 3.548 30 20 CHED Cc1ccc(C(C)(C)CN(C)Cc2cc(C#N)n(C)c2)cc1 483276991 BYCYTQYLVVQSNR-UHFFFAOYSA-N 295.430 3.615 30 20 CHED Fc1ccc2c(c1)OCC2=NNc1nccc2sccc12 814810370 JQRIIUUJSIQSHU-UHFFFAOYSA-N 299.330 3.644 30 20 CHED C=CCC(F)(F)C(=O)NCC1CCC(CC)CC1 815078509 BCVYWDZRZMMDKU-UHFFFAOYSA-N 259.340 3.530 30 20 CHED Cc1cc(F)ccc1[C@H](C)NCc1ccc(C#N)cc1F 815577772 YKMIBMIAPSNGOL-LBPRGKRZSA-N 286.325 3.996 30 20 CHED Cc1cc(CN2CCc3c(F)ccc(F)c3C2)ccc1C#N 488216335 BCGCQRJIDBOWKH-UHFFFAOYSA-N 298.336 3.703 30 20 CHED C=CCn1cccc1C(=O)Nc1nc2c(C)cccc2s1 488562315 HWRPKJAIHWNMIW-UHFFFAOYSA-N 297.383 3.845 30 20 CHED CCSCC(=NOCCOC(C)C)c1ccccc1 812240059 HTJKKHLWMRBDLX-UHFFFAOYSA-N 281.421 3.585 30 20 CHED CC1(c2cc(=NCc3ccc(C#N)c(F)c3)[nH]o2)CCCC1 579341461 PKLNHIFDWTUHSG-UHFFFAOYSA-N 299.349 3.551 30 20 CHED COc1cccc(NN=C(C)c2ccc(CN(C)C)cc2)c1 814778933 YEYQGFPJEKBXSN-UHFFFAOYSA-N 297.402 3.593 30 20 CHED COc1ccc(F)cc1C=NNCc1ccc(Cl)cc1 812227068 ZWSFUGYBTWKOOE-UHFFFAOYSA-N 292.741 3.611 30 20 CHED N#Cc1c(Cl)nsc1Oc1cccc(C=O)c1Cl 814903623 RUNCFBVHRBUVFT-UHFFFAOYSA-N 299.138 3.926 30 20 CHED CC#CCCNC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 483407995 OQRFJZHITXWSNX-UHFFFAOYSA-N 298.430 3.897 30 20 CHED C#Cc1ccc(C(=O)Oc2cc(C)c(Cl)c(C)c2)nc1 728812857 OBXVNIWJPZIOCK-UHFFFAOYSA-N 285.730 3.552 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@@H](C#N)C1 814922242 ALFKQIGDGXCNHS-SNVBAGLBSA-N 291.786 3.735 30 20 CHED C=CCCc1nc(CCCOc2cccc(C)c2C)no1 572450074 QDWUUOZFJFHBMF-UHFFFAOYSA-N 286.375 3.817 30 20 CHED C(/C=C\c1ccccc1)=NNc1nc(-c2ccccc2)no1 726739128 FAEWBERREKKWLP-OIAJVEJOSA-N 290.326 3.848 30 20 CHED CCCCCCNC(=O)CC1(C#N)CCCCC1 820526585 HBVKPUJIGNVEMQ-UHFFFAOYSA-N 250.386 3.547 30 20 CHED Cc1cccc2oc(C(=O)N[C@H](C#N)C3CCCC3)cc12 829369778 NTCHZKOABJTVPA-CQSZACIVSA-N 282.343 3.553 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@H](CC3CC3)C2)c1 577982292 VZWZICLVKRSELG-CQSZACIVSA-N 283.375 3.521 30 20 CHED C=CC[C@@H](OC(=O)C[C@@H](C)n1cccn1)c1ccccc1 820685187 FGUMVFWCJYGTBP-GDBMZVCRSA-N 284.359 3.695 30 20 CHED Cc1csc(NC(=O)N2CCCC[C@@H]2C(C)C)c1C#N 570580364 UIERMSIJKFLBKE-CYBMUJFWSA-N 291.420 3.971 30 20 CHED Cc1ccc([C@H](NC(=O)c2sccc2C#N)C2CC2)cc1 497987498 AXPATKLPXLCVMI-HNNXBMFYSA-N 296.395 3.809 30 20 CHED CN(Cc1ccc(F)cc1C#N)Cc1cccc2[nH]ccc12 494037475 KADGVRKQDKYYHZ-UHFFFAOYSA-N 293.345 3.811 30 20 CHED C=CCC1(N[C@H](C)[C@H](C)c2ccccc2)CCOCC1 668552162 GCVGOZCDGXJUIL-JKSUJKDBSA-N 273.420 3.894 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CCCCC(C)(C)C 587088731 TZVDLCYMQUSFNK-CYBMUJFWSA-N 252.402 3.647 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H]1CCCC[C@H]1C 498120428 CYZMYVRUBQEZNC-ZBFHGGJFSA-N 290.407 3.598 30 20 CHED C=C(C)CNC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 661047853 WNZWXPWDDFHXJU-UHFFFAOYSA-N 299.201 3.637 30 20 CHED N#Cc1ccc(-c2ccn(Cc3ccc(F)c(F)c3)n2)cc1 735488133 FMPFLBQCWDAXFG-UHFFFAOYSA-N 295.292 3.748 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CC=CCC2)cc1 584386171 SQOACPDTAPKSOB-IRXDYDNUSA-N 282.387 3.628 30 20 CHED CC[C@@H](N[C@H](C)c1ccccn1)c1cccc(C#N)c1 902720989 RVEFXPBTLLRJJD-CZUORRHYSA-N 265.360 3.755 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)COc2ccc(F)cc21 731565383 NETGBIQSKVFQFG-POHAHGRESA-N 290.240 3.763 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CC[C@H](C)CC2)s1 584117147 WQJZFLQLLMWAFB-XYPYZODXSA-N 276.405 3.947 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1c(F)cccc1F 494729605 OCOKSGLGNKNKDP-RYUDHWBXSA-N 294.345 3.776 30 20 CHED Cc1cc(Cl)cc2c1OCCC[C@@H]2NCC1(C#N)CC1 903105218 AVZXWLIEXDSJPW-AWEZNQCLSA-N 290.794 3.756 30 20 CHED C[C@H](NN=Cc1ccccc1C(F)(F)F)C(F)(F)F 834997499 YZUDZJLFSKKLHP-ZETCQYMHSA-N 284.203 3.580 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3cccc(F)c3o2)C1 839060918 ZUOIGXLIRMEWEH-PWSUYJOCSA-N 287.290 3.811 30 20 CHED C[C@@H]1CC=C(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 836781852 REXMPOUMVIRRKS-OLZOCXBDSA-N 284.359 3.662 30 20 CHED COc1cc(Cl)ccc1C/N=C/c1ccccc1O 730732290 IEKDAWQAEXIDLP-RQZCQDPDSA-N 275.735 3.673 30 20 CHED Cc1cc(NN=C2c3ccccc3-c3ccccc32)ncn1 731935783 RBBHVEFUTTWNKJ-UHFFFAOYSA-N 286.338 3.630 30 20 CHED C#CCOc1ccc(C(C)=NNc2ccccc2F)cc1 733203390 HIJQJWGRHNIUGT-UHFFFAOYSA-N 282.318 3.674 30 20 CHED C#C[C@H](C)N(C)C(=O)C(C)(C)c1cccc2ccccc12 839338931 FVEZSOIIBFAOKM-AWEZNQCLSA-N 279.383 3.598 30 20 CHED Cc1ccc(CCCC=NNc2ccncn2)cc1C 835000304 CPJGKINESKWYDU-UHFFFAOYSA-N 268.364 3.514 30 20 CHED C/C(=C(\F)C(=O)Nc1ccccc1O[C@@H](C)C#N)C1CC1 907261051 CLZTZPISCCQJNQ-MKNMWBPTSA-N 288.322 3.569 30 20 CHED C1CCC2(CC1)CCCC2=NOC1CCOCC1 834971398 FHGFXPYAQXODKV-UHFFFAOYSA-N 251.370 3.672 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(SCC(F)F)cc1 903107081 ZWRRKJJWIQIOCE-NSHDSACASA-N 296.386 3.998 30 20 CHED C[C@@H](CNC(=O)CCCCCC#N)Cc1cccs1 588159391 URTDTMAIYRXXHQ-CYBMUJFWSA-N 278.421 3.517 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@H]2CCC[C@@H]2C)cc1 581215193 RBABIBYDJNJZSX-XKQJLSEDSA-N 284.403 3.756 30 20 CHED CCCc1ccc(/C=C2/CCn3ccnc3C2=O)s1 901538601 ZCOQUUHPAYFSON-KHPPLWFESA-N 272.373 3.567 30 20 CHED C#Cc1cccc(CN[C@H](C)c2cc(OC)ccc2OC)c1 834903799 SFNBADHGLIQBHN-CQSZACIVSA-N 295.382 3.536 30 20 CHED C[C@@H]1CCCCC1=NNc1ccc(C(=O)O)c(F)c1 835010213 TWANFSXQKWOJPR-SECBINFHSA-N 264.300 3.502 30 20 CHED Clc1ccc(/C=C\CON=C2CCCOCC2)cc1 588557363 VSCIDFSXXWYVJP-HJFACUKCSA-N 279.767 3.926 30 20 CHED CCCN(Cc1ccc(C#N)cn1)[C@@H]1CCc2ccccc21 584061469 MFUGYRAOMZWUNO-LJQANCHMSA-N 291.398 3.853 30 20 CHED CCC(CC)[C@@H]1C[C@@H](Nc2snc(C)c2C#N)CCO1 588013242 HISVAZIEGAWIFF-JSGCOSHPSA-N 293.436 3.719 30 20 CHED Cc1cccc(C[C@@H](NCc2ccc(C#N)cc2)C2CC2)c1 735324276 LIMSUTXEABHBQM-HXUWFJFHSA-N 290.410 3.978 30 20 CHED CCc1cccc2c(C=NNCc3ccccc3)c[nH]c12 916344669 YCHHAQWNQDFUNH-UHFFFAOYSA-N 277.371 3.854 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C#CC(C)(C)C 837586662 GHLOFKFKBUMTBO-UHFFFAOYSA-N 269.388 3.641 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H]1c1c(C)cccc1C 597886581 ONSBWGBVXRCSGI-HUUCEWRRSA-N 270.376 3.517 30 20 CHED C[C@@H]1CCCN1Cc1ccc(-c2ccc(C#N)nc2)cc1 592986818 QVASLWBQOHQMMD-CQSZACIVSA-N 277.371 3.605 30 20 CHED C=CCC[C@@H](NC[C@H]1OCCc2ccccc21)C1CC1 678585304 ACYJFVWAODOQKV-QZTJIDSGSA-N 271.404 3.635 30 20 CHED COc1ccccc1[C@@H]1CCN([C@H](C#N)c2ccccc2)C1 595327016 BSJBQKSXALYPAC-SJLPKXTDSA-N 292.382 3.749 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cnn(C(C)C)c1 746677125 REEARHQPSWVOSS-UHFFFAOYSA-N 276.771 3.954 30 20 CHED COc1cccc(/C=N\CC2(c3ccc(F)cc3)CC2)c1O 915982181 REGNSZMMSIXTHY-JAIQZWGSSA-N 299.345 3.691 30 20 CHED C=CCC(CC=C)C(=O)N(CC(F)(F)F)C(C)C 675214709 OTHLOLFFNXLJHJ-UHFFFAOYSA-N 263.303 3.554 30 20 CHED C[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1 597903512 YQSQWCQYGKWIPD-QWHCGFSZSA-N 290.794 3.596 30 20 CHED C[C@@H](N(C)C(=O)CC1(C#N)CCCCC1)C(C)(C)C 596736980 VBHUXFDBGVKLLM-CYBMUJFWSA-N 264.413 3.744 30 20 CHED Cc1ccc(C#N)cc1NC(=S)N[C@@H]1CCCC[C@H]1C 746344531 TUTOIWMYXGEYPT-BXUZGUMPSA-N 287.432 3.732 30 20 CHED CCCCCC(CCCCC)=NNC(=S)N(C)C 743441668 KVIYPOZDRZWRFV-UHFFFAOYSA-N 271.474 3.939 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1nc(Cl)c(C#N)s1 841225323 OBCUUZLYYYTSSO-MRVPVSSYSA-N 285.800 3.679 30 20 CHED COc1ccc(O)c(C=Nc2cccc(F)c2C)c1 745975857 CBGYIKJKBMXCNG-UHFFFAOYSA-N 259.280 3.599 30 20 CHED C[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)[C@H](C)[C@H]1C 842167181 RZQITRZZOSYUET-FRRDWIJNSA-N 292.810 3.719 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(O)c(F)c1 747641817 FULBMHMXVIZRGJ-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)Cc2ccccc21 746653327 KFMRBABILKNFHR-AWEZNQCLSA-N 256.393 3.936 30 20 CHED N#CC1(CSCC(=O)c2ccccc2)CCCC1 917946998 BYVGRFUNNFBHRX-UHFFFAOYSA-N 259.374 3.686 30 20 CHED CCn1cc(C(C)=NNc2cccc3ccccc23)cn1 747060290 OKWASYJBHJOVDX-UHFFFAOYSA-N 278.359 3.892 30 20 CHED Cn1cccc1[C@H]1CCCN1C(=O)CC1(C#N)CCCCC1 596688130 HUYNJCRXACHGQG-MRXNPFEDSA-N 299.418 3.553 30 20 CHED Cc1cccc(NC(=O)NCC(C)(C)CC#N)c1Cl 590957251 MLKHGFKVQMTQMA-UHFFFAOYSA-N 279.771 3.710 30 20 CHED N#C[C@@H](C(=O)C1CC2(CCC2)C1)c1ccc2ccccc2n1 842681397 DGNHLICLNVUSAZ-OAHLLOKOSA-N 290.366 3.991 30 20 CHED CCN(C)c1ccc([C@H](C)NCC(C)(C)CC#N)cc1 840786545 RVUFGYSMIQXHOO-AWEZNQCLSA-N 273.424 3.733 30 20 CHED O=C1/C(=C/c2nccc3ccccc23)COc2ccccc21 740763969 JZIWYLZVNMKXIE-SDNWHVSQSA-N 287.318 3.894 30 20 CHED CC(C)Oc1cccc(C=NNc2ccc(Cl)nc2)c1 743452531 YWVOOUXZWJIHDH-UHFFFAOYSA-N 289.766 3.968 30 20 CHED CN(CCC#N)C(=O)c1sccc1-c1ccc(F)cc1 748717481 PTJDKHSNCMFTES-UHFFFAOYSA-N 288.347 3.540 30 20 CHED C=CCc1ccc(OC(=O)CCC(C)(F)F)c(OC)c1 915824545 CVRJZMASHXBVMO-UHFFFAOYSA-N 284.302 3.765 30 20 CHED C#CCCCNC(=O)N[C@@H](CC)c1ccc(Cl)s1 743693478 YVPZBKINBKUHIU-JTQLQIEISA-N 284.812 3.565 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)CC1(C#N)CCCCC1 597129332 DCQZFVJNMFITMY-KRWDZBQOSA-N 298.430 3.988 30 20 CHED N#Cc1cc(F)c(OCCCCF)c(Br)c1 598730861 TVTPAROTVZNTLD-UHFFFAOYSA-N 290.107 3.588 30 20 CHED Fc1cc(NN=Cc2cn3ccccc3n2)ccc1Cl 747634790 ALCKSCQJVMPWNF-UHFFFAOYSA-N 288.713 3.573 30 20 CHED CC[C@@H](C)c1ccccc1OCC(=O)OCCCCC#N 914620565 ITZHHGPOHMWWSA-CQSZACIVSA-N 289.375 3.816 30 20 CHED Cc1cc(OCC2(CC#N)CC2)c2nc(C)ccc2c1 596280246 WUHMRLSDWLMCQE-UHFFFAOYSA-N 266.344 3.924 30 20 CHED CC(=NN=C(C)c1ccc(F)cc1Cl)c1cnccn1 745206753 POKBYPBOUIQOBH-UHFFFAOYSA-N 290.729 3.502 30 20 CHED Cc1cc(C(=O)/C=C\c2ccnn2CC(C)C)oc1C 843267475 DAPYTRJTPNXHKR-WAYWQWQTSA-N 272.348 3.645 30 20 CHED CC[C@@H](OCCSCCO[C@@H](C)C#N)c1ccccc1 844643894 CLALCPTVLZIBCZ-GOEBONIOSA-N 293.432 3.816 30 20 CHED Clc1ccc2c(c1)CCC2=NNc1nc2ccccc2[nH]1 743421901 LGGXRRGCDKGQIL-UHFFFAOYSA-N 296.761 3.979 30 20 CHED CCCNN=C(CC)c1ccc(OCC)c(OCC)c1 920828503 BLAQBKWMPCHGJO-UHFFFAOYSA-N 278.396 3.598 30 20 CHED C[C@H]1Cc2c(sc(NC(=O)C(F)F)c2C#N)[C@H](C)C1 844546440 YLYDEOILPPQXDO-RNFRBKRXSA-N 284.331 3.509 30 20 CHED C=CCNC(=S)N[C@@H](c1ccccc1F)C1CCCC1 755730232 BAECMSQKLDPXSA-OAHLLOKOSA-N 292.423 3.707 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2ccccn2)cc1C 850757406 ZUFOCYSRFAKHHT-GVDBMIGSSA-N 290.366 3.678 30 20 CHED Oc1ccc2ccccc2c1/C=N/CC1SCCS1 852998721 QPKJCWFNJYSLMO-CXUHLZMHSA-N 289.425 3.770 30 20 CHED Cc1ccsc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1O 759090176 JODSJIAUMPIRCE-SNAWJCMRSA-N 289.312 3.566 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2cc(C)c(O)c(C)c2)c1C 750910789 VVNVGKLGHRMPIR-FPLPWBNLSA-N 298.386 3.738 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cn(C(C)C)nn1 926590659 DSARWDRMWRTHPK-NVXWUHKLSA-N 298.434 3.697 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)c1cnccc1C)c1ccccc1 681741052 HITOJDCZQIKOAZ-NVXWUHKLSA-N 294.398 3.927 30 20 CHED COc1ccc(C=NNc2ccccc2Cl)cc1F 751368989 MRDLNHDKOSKJIU-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C(=NOCc1csc(CCc2ccccc2)n1)C1CC1 853735993 HUQZCARDHRAQIG-UHFFFAOYSA-N 286.400 3.841 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1cc(CO)on1)c1ccccc1 925579982 PELUPLVSERXDOB-XJKSGUPXSA-N 286.375 3.525 30 20 CHED N#CCCCCNCc1cccc(Oc2ccccn2)c1 921683465 MPWDUIPSNHQLKM-UHFFFAOYSA-N 281.359 3.657 30 20 CHED CSc1ccc(COC(=O)c2ccc(CC#N)cc2)cc1 758697805 JJKNXKCVSBSJKV-UHFFFAOYSA-N 297.379 3.832 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1cc(C)ccn1 755907394 YTSFIENUIWVBEC-UHFFFAOYSA-N 269.348 3.516 30 20 CHED C[C@@H]1CCCCN1N=C1CCC[C@@H]1c1ccccn1 853381932 OYNAVLBVUYRNNP-ZIAGYGMSSA-N 257.381 3.580 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NNc2ccccc2F)c1 755628135 GLNRKGDTIRFFTA-UHFFFAOYSA-N 294.333 3.970 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(Cl)c2)s1 750397423 OIPJNJQYMVGCNL-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2cc(C)ccc2O)c1C 759653896 WNEPNUAOKCFQTQ-VQHVLOKHSA-N 298.386 3.820 30 20 CHED CO[C@@H](C/N=C\c1cc2ccccc2nc1O)C1CCCC1 852998257 JPKSLBJEVWHAGS-BEWREHSGSA-N 298.386 3.565 30 20 CHED C#CCCCC(=O)Nc1ccc(Br)cc1CC 758702821 XPGNVRWQRANWQD-UHFFFAOYSA-N 294.192 3.754 30 20 CHED C#CCCOC(=O)CCCc1csc2ccccc12 756236361 MXHOTSQWXMFFAC-UHFFFAOYSA-N 272.369 3.791 30 20 CHED CC(C)O[C@@H]1CCCN(CCCCC2(C#N)CCC2)C1 930848728 LYMACRLPRBGVFZ-MRXNPFEDSA-N 278.440 3.740 30 20 CHED CCCN(CC(F)(F)F)C(=O)Nc1cccc(CC#N)c1 931687061 PWISZBGKNPVLQJ-UHFFFAOYSA-N 299.296 3.559 30 20 CHED CC[C@H](C)CCN[C@H](C)c1ccc(OCC#N)cc1 696211450 SXVMUKAEAZOTHS-UONOGXRCSA-N 260.381 3.676 30 20 CHED C=CCNC(=O)/C(C)=C/c1c(Cl)cccc1Cl 766629152 CDLWBEJIZDERBP-CMDGGOBGSA-N 270.159 3.699 30 20 CHED C#CCC1(C(=O)N2CCC(F)(F)C[C@@H]2C)CCCCC1 863011974 SDOCWLYUMYIWOJ-ZDUSSCGKSA-N 283.362 3.606 30 20 CHED Cc1ccc(-c2ccc3c(c2)OCCC[C@H]3O)cc1C#N 863729991 UJYLEDYIAZZDOI-QGZVFWFLSA-N 279.339 3.740 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C/c1ccccc1C(F)(F)F 865081628 KCIOMNZIAONDCZ-IDVQTMNDSA-N 296.292 3.527 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(COC)c(F)c1 866010554 LLBKQFFHVJQYCT-UHFFFAOYSA-N 293.382 3.791 30 20 CHED CC(C)(C)C[C@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 930225574 COXNGIUBHOMIKV-CABCVRRESA-N 294.826 3.681 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(C)C 766357656 WTDVFIFXCJAVCZ-RYUDHWBXSA-N 297.320 3.630 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C\c2cccc(O)c2)CCCC1(C)C 769644120 RSASWXAOGKOSSX-MQNTZWLQSA-N 299.414 3.999 30 20 CHED C[C@@H](C=NNc1ccc(C#N)c(C(F)(F)F)c1)CCC#N 766013300 MXGJGOFOEHGSBK-SNVBAGLBSA-N 294.280 3.915 30 20 CHED COc1ccc(/C=C\C(=O)c2cncc(C)c2)c(Cl)c1 767367519 OOUKMHYYXFVGFO-XQRVVYSFSA-N 287.746 3.948 30 20 CHED CC[C@@H](CC(=O)[C@@H](C#N)c1ccncn1)c1ccc(C)cc1 760339093 IBFUBZZMWQYYNW-HOCLYGCPSA-N 293.370 3.545 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C\c1cc(Cl)ccc1O)CO2 763097039 NFZMQOHOYVBXAP-RQRKTLAASA-N 287.746 3.907 30 20 CHED C#C[C@H](C)N(C)C(=O)CC1CCC(c2ccccc2)CC1 767252567 CYHRQUBQNTXKDK-HJOIGYKYSA-N 283.415 3.831 30 20 CHED C#CCCCN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 766234582 YFTLXBNZLHAGAQ-LBPRGKRZSA-N 269.310 3.639 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 877520791 HYNZVMICQCHECC-KDOFPFPSSA-N 277.371 3.536 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cccc(O)c1F 871672748 XHTFYZAQOYPUFG-BQYQJAHWSA-N 288.322 3.513 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 775634933 ZVXTZOBOPUPLIS-LSDHHAIUSA-N 296.455 3.720 30 20 CHED CCCC(=CC(=O)Nc1n[nH]c(C2CC2)c1C#N)CCC 870231571 VRPBDPWBGZXPNR-UHFFFAOYSA-N 286.379 3.624 30 20 CHED C#CCCCCCC(=O)N(CC)[C@@H]1CCCC[C@@H]1C 779908127 XYMXWYGJDVLVHG-JKSUJKDBSA-N 263.425 3.997 30 20 CHED CS[C@H]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C1 1116650573 BDCPCNDFYSMUOH-CABCVRRESA-N 294.851 3.928 30 20 CHED Cc1cccc(C=NOCCC(F)(F)F)c1OC(F)F 777460566 PZGKJLIFTUIKKK-UHFFFAOYSA-N 297.223 3.899 30 20 CHED C#CCCCCCC(=O)Nc1cc(C#N)ccc1OC(C)C 779861608 WVFVCSBDRJWSPZ-UHFFFAOYSA-N 298.386 3.868 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC[C@@H](O)c1ccc(C#N)cc1 775683141 UHMDRBCRIFNAGK-KBAYOESNSA-N 286.419 3.540 30 20 CHED N#Cc1ccccc1Oc1ccccc1C(=O)OCC1CC1 778177789 LIEOELGUXXFAEK-UHFFFAOYSA-N 293.322 3.917 30 20 CHED CC(=NNC[C@H](C)C#N)c1cc2cc(C)c(C)cc2o1 771106735 HQRAWCDVNAKBPE-SNVBAGLBSA-N 269.348 3.523 30 20 CHED N#CCc1ccc(COC(=O)c2ccc(Cl)s2)cc1 776112702 KROGAWKTBWNUTF-UHFFFAOYSA-N 291.759 3.825 30 20 CHED Cn1cc(-c2ccc(C=NNc3ccccc3F)cc2)cn1 1116886332 IRQBAMBDAQXGTC-UHFFFAOYSA-N 294.333 3.672 30 20 CHED C#CCOc1ccccc1NC(=O)C1CCC(C)(C)CC1 775941127 VAGWIGMSOPOSBX-UHFFFAOYSA-N 285.387 3.854 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1cccs1)C1CC1 887857745 PKPRDRKOJZXDAD-AWEZNQCLSA-N 263.406 3.918 30 20 CHED CCOCCON=C(C)c1ccc(Cl)c(Cl)c1 774422184 IXPSYEKAGZFKSE-UHFFFAOYSA-N 276.163 3.771 30 20 CHED C=C(C)CCC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 1121182557 ZGDZYIYUAINQPQ-OAHLLOKOSA-N 289.423 3.827 30 20 CHED C#CCOc1ccc(CNc2ccc(OC)cc2C)cc1 770524247 QJTQTKDPLHDKRT-UHFFFAOYSA-N 281.355 3.628 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NC[C@H]1CCC(F)(F)C1 1121926321 LGPROCQCBQAATG-STQMWFEESA-N 286.366 3.562 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](C)C#N)cc1Cl 786390051 GFHMUNKZGUWEBF-SECBINFHSA-N 251.713 3.532 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1ccccc1OCC 889705323 RTZZCTVQRJHBAV-UHFFFAOYSA-N 261.365 3.650 30 20 CHED C[C@H](OC(=O)[C@H](CC#N)c1ccccc1)c1ccccc1 1129482787 WHOJLYKOUATYBV-WMLDXEAASA-N 279.339 3.988 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1nnc(-c2ccccc2)n1C 783828671 VZOGLKPPUPTKAO-DZGCQCFKSA-N 297.406 3.706 30 20 CHED FC(F)(F)[C@H]1CCCC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)C1 783522247 LVULLANPWTYFMR-MRBYEJRBSA-N 274.330 3.873 30 20 CHED Clc1cccnc1NN=Cc1cc2ccccc2[nH]1 788425490 HVQIRILUPQZZHT-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CC/C=C(\C)C(=O)OCc1ccc(Cl)cc1C#N 780035215 LMUQKFODGDRNLV-ONNFQVAWSA-N 263.724 3.611 30 20 CHED Cc1cc(CNc2cncc(Cl)c2C)ccc1C#N 1560858140 NKBOAIATQUDQSN-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1csc([C@@H](C)OCC)n1 785754222 OAOBYNBNNLWPDJ-IAQYHMDHSA-N 297.420 3.886 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc(F)c(C(C)=O)c1 893308174 ICGUUHCYUWKXDM-UHFFFAOYSA-N 264.296 3.536 30 20 CHED CC(=NNc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] 783774342 TXVAOJXHCAHLDP-UHFFFAOYSA-N 273.267 3.570 30 20 CHED C[C@H](OC(=O)C1=CCCCC1)c1cccc(C#N)c1 783085334 HUBHMRWYDQKTTG-LBPRGKRZSA-N 255.317 3.663 30 20 CHED C=C1CCC(C(=O)O[C@H](C)c2ncccc2F)CC1 890317784 WXIFDBRSONKQRS-LLVKDONJSA-N 263.312 3.571 30 20 CHED C=CCC1(O)CCN(C(=O)CCCCC(C)(C)C)CC1 899592599 RQCNPSYIKJDFNS-UHFFFAOYSA-N 281.440 3.523 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)NCc1cc(C#N)ccc1F 786857997 BWMQSJZLZHQTIH-ACJLOTCBSA-N 298.361 3.563 30 20 CHED N#Cc1ccc(NC[C@H]2CCCS2)c(C(F)(F)F)c1 301622343 YLFFEVLMENKDIK-SNVBAGLBSA-N 286.322 3.885 30 20 CHED C=C1CC(c2noc(COCc3ccccc3C)n2)C1 896874718 UBDXVHXHXRCYBO-UHFFFAOYSA-N 270.332 3.528 30 20 CHED CCCCCCC(=O)N(CCC#N)CC(C)(C)C 104627080 VRKJBCRMLCKKNO-UHFFFAOYSA-N 252.402 3.745 30 20 CHED CC1(C)C[C@@]1(NC(=O)c1cc(C#N)cs1)c1ccccc1 1131467287 VYRPMUFEFZQCBO-QGZVFWFLSA-N 296.395 3.675 30 20 CHED N#Cc1ccc(CN[C@H](c2ncc[nH]2)C2CCCCC2)cc1 796693060 DBMQMHWFVZTETA-KRWDZBQOSA-N 294.402 3.693 30 20 CHED C=CCCCOC(=O)c1cc(C2CC2)cnc1Cl 796174234 BVGLHIBUXODHTE-UHFFFAOYSA-N 265.740 3.735 30 20 CHED C=CCC1(C(=O)OCC(=O)c2cc(C)ccc2C)CCC1 791558533 PERLHGSRMICSQP-UHFFFAOYSA-N 286.371 3.776 30 20 CHED CC(=NNc1c(F)cccc1F)c1coc(C(C)C)n1 799480184 HWEAKHDSLFNVBA-UHFFFAOYSA-N 279.290 3.912 30 20 CHED CC(=NNc1cc(C)ccn1)c1c(C)cc(C)cc1O 799881065 LMVJSKAVHQZRQE-UHFFFAOYSA-N 269.348 3.549 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(N3CCCCC3)c2)C1 799721630 OWFDZJSLMUQLIF-HOCLYGCPSA-N 269.392 3.781 30 20 CHED CC(=NN1CCC(C(C)(C)C)CC1)c1ccncc1 790182151 XEMHYCNQKWIUME-UHFFFAOYSA-N 259.397 3.564 30 20 CHED N#Cc1ccc(SCCSCc2ccccc2)nc1 790431016 IBEUDEGQFJLOKQ-UHFFFAOYSA-N 286.425 3.979 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@@H]1CCO[C@H]1C 793429042 LGPFCUJDUGEUCP-STQMWFEESA-N 292.400 3.547 30 20 CHED C=CCNN=Cc1ccc(Oc2cccc(F)c2)cc1 794993767 GRIYEEFDTZGYCU-UHFFFAOYSA-N 270.307 3.728 30 20 CHED COc1ccc([C@@H](C)C(C)=NOCC(C)C)cc1OC 794522756 BZCPSSYJIQUDEC-LBPRGKRZSA-N 279.380 3.856 30 20 CHED C=CCCCCCN1CC[C@@H](C)[C@@H](n2ccnc2)C1 193438924 MERCNFSJYZNGJG-CVEARBPZSA-N 261.413 3.512 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N(CC1CCC1)CC1CC1 794394186 RUQFZMFKCBZKLH-KHPPLWFESA-N 294.398 3.610 30 20 CHED C=CCCCCC[C@@H](C)NCC1CCN(CC)CC1 793526485 MLMINFHVVIIHBB-MRXNPFEDSA-N 266.473 3.833 30 20 CHED CC(=O)c1c(F)cccc1OCc1ccc(C#N)cc1C 1307396092 XAXVAWJSXUQXQY-UHFFFAOYSA-N 283.302 3.787 30 20 CHED Cc1cccc(C)c1OC[C@H](C)Nc1ccc(C#N)c(C)n1 1306950162 QZCGRRIHHFHHNO-AWEZNQCLSA-N 295.386 3.758 30 20 CHED CC(C)c1ocnc1CON=C1CCOc2ccccc21 1319732095 DGYQFGMCTGVQKW-UHFFFAOYSA-N 286.331 3.501 30 20 CHED C[C@H](Cc1ccccc1Cl)Nc1ncc(C#N)cc1F 1162169909 BKQCLDGKGGOFPZ-SNVBAGLBSA-N 289.741 3.789 30 20 CHED C/C(=C/C(=O)Nc1ccc(OCC#N)cc1)C(C)(C)C 1327642414 ICNJIJJJOWEEMB-QXMHVHEDSA-N 272.348 3.520 30 20 CHED N#Cc1ccc(-c2nnc(C[C@H]3C[C@H]4CC[C@H]3C4)o2)cc1 1322325178 JOGFOFUKDRGCJC-AEGPPILISA-N 279.343 3.587 30 20 CHED COc1ccccc1CCCN1CCc2c(C#N)cccc21 1171342366 DHIQSZMAUXJQFP-UHFFFAOYSA-N 292.382 3.562 30 20 CHED C=CCC(C)(C)CNC(=O)C(F)(F)c1ccccc1C 1325055405 QYVCFLHKTHQUFN-UHFFFAOYSA-N 281.346 3.805 30 20 CHED C#CCCCC(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1326334840 GAFOYKURXBYEHP-JYJNAYRXSA-N 263.425 3.615 30 20 CHED CC1(C)CCN(C(=O)c2csc(C#N)c2)CC(C)(C)C1 1329022136 BRYMMDGZAVGZEM-UHFFFAOYSA-N 290.432 3.908 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(C#N)c(C)c1)CC2 1182782964 RXQKTSHBLFGMPJ-UHFFFAOYSA-N 276.383 3.733 30 20 CHED C[C@H](CCC#N)CN1CCN(Cc2ccccc2)C(C)(C)C1 1180189186 ODGLGGVVPJWKHY-QGZVFWFLSA-N 299.462 3.523 30 20 CHED O=C(CC#Cc1ccccc1)N1CCc2ccc(Cl)cc21 1332943985 FXYHBDCWRPCLIV-UHFFFAOYSA-N 295.769 3.671 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(C)C)cn1 1337488783 PKCACLGDAOIOST-OAHLLOKOSA-N 272.392 3.776 30 20 CHED CC(=NOC(C)(C)C)c1ccc(N2CCCOC2=O)cc1 1261236622 QHRHIZLVKNHZNN-UHFFFAOYSA-N 290.363 3.572 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@H]1C[C@@H]1C1CC1)c1cccs1 1343900820 IBZOJRCYKHYLHM-PBOSXPJTSA-N 289.400 3.928 30 20 CHED C=C(C)CCC(=O)N1CCc2cc(F)ccc2[C@@H]1C 1340628629 ATJVOQGADFOKGW-LBPRGKRZSA-N 261.340 3.628 30 20 CHED N#Cc1cc(Cl)ccc1CN(Cc1ccoc1)C1CC1 1198141051 UMGIBOHIXLHUBQ-UHFFFAOYSA-N 286.762 3.969 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(-c3ncco3)cc2)cs1 1266246304 ZXZVRQBTYSYJSZ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCC[C@@H]1CCCN1C(=O)c1cc2ccccc2n1CC#N 1262646468 CWHWMUUKSADHKG-OAHLLOKOSA-N 295.386 3.570 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc(C)c(OC)c(Cl)c1 1345428545 UWKZAONYJMGEOC-YPMHNXCESA-N 283.799 3.509 30 20 CHED CC(C)(C)ON=C[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 1343882069 MVIPXZCVGCWTDI-CYBMUJFWSA-N 298.427 3.871 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1ccccc1C#N 1349673365 MTOKZFCFVXPKKE-AWEZNQCLSA-N 278.355 3.684 30 20 CHED CCc1ccc([C@H](C)C(=O)N(CC)[C@H](C#N)CC)cc1 1355088161 IBKREPAWQGOFRC-BBRMVZONSA-N 272.392 3.503 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1ccc(F)cc1C#N 1435414947 BXRSDPZNTDRPAU-UHFFFAOYSA-N 286.281 3.651 30 20 CHED N#Cc1cccc(C(=O)Nc2cscc2Cl)c1 1288449693 XQNFZQSZZVNTSB-UHFFFAOYSA-N 262.721 3.525 30 20 CHED Cc1nc(NCC(C)(C)c2ccccc2F)ccc1C#N 1458161359 HRZVWKTVRZALDI-UHFFFAOYSA-N 283.350 3.791 30 20 CHED Cc1cc(C)cc(CC(=O)Nc2cc(C)cc(C#N)c2)c1 1528386604 JMRAOUGTTBNBHX-UHFFFAOYSA-N 278.355 3.665 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(SC)cn1 1520250610 KQZXWJRQTHBGLU-GFCCVEGCSA-N 291.420 3.766 30 20 CHED Cc1cc(C)c(/C=C/CN2CCC[C@H](C#N)C2)c(C)c1 1462574605 XNCIZQZTJVFQBS-QQOXCAACSA-N 268.404 3.861 30 20 CHED Cc1cc(C)c(CON=Cc2ccc(C(=O)O)cc2)c(C)c1 1607619944 OECOOBUHUMNHTD-UHFFFAOYSA-N 297.354 3.861 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC/C=C\c2ccccc2)n1 1544535338 WRKKHMPTPMTQRN-UITAMQMPSA-N 291.354 3.694 30 20 CHED N#Cc1nccc(N2CCC[C@H]2CCC2CCCCC2)n1 1639642937 PRHMUCOZBWWBAY-HNNXBMFYSA-N 284.407 3.678 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1640760072 BKTMJZCQCNEZOF-WCQYABFASA-N 296.374 3.508 30 20 CHED N#Cc1ccc(C2=CCN(CCCC3CC3)CC2)cc1 1642570562 JHYFUJKNMLVQEC-UHFFFAOYSA-N 266.388 3.838 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 1658715362 YDZAXKYIZLHUPT-VDHUWJSZSA-N 268.404 3.995 30 20 CHED Cc1ccc(COc2ccc(C#N)cc2F)c(C)c1 1652720354 BJMASSUHLFDXOX-UHFFFAOYSA-N 255.292 3.893 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)n1 1657505274 LQYKQYHCWAZLDR-IUVQAAGXSA-N 295.430 3.744 30 20 CHED Cc1cc(Nc2ccc(C)c(OC(F)F)c2)ncc1C#N 1651550097 TYGXTCJGTRRDGA-UHFFFAOYSA-N 289.285 3.915 30 20 CHED CSc1c(F)cc(NCc2cccc(C#N)n2)cc1F 1659434822 MHCIJWSCMUQYJF-UHFFFAOYSA-N 291.326 3.565 30 20 CHED C=CC[C@@H]1CC[C@H](Nc2cc(C)cc(C(=O)O)c2)C1 1588771000 LEIJYCAPSNMCEL-OCCSQVGLSA-N 259.349 3.850 30 20 CHED C=C(CNC(=O)NC1C[C@H](C)C[C@@H](C)C1)c1ccccc1 1679150108 WEJADRLCOUVICN-ZIAGYGMSSA-N 286.419 3.824 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)CC1 1674213319 QDDICBPODXBQEY-BXUZGUMPSA-N 289.354 3.788 30 20 CHED C[C@@H](ON=C1CC[C@H](C(=O)O)[C@H](C)C1)c1ccccc1 1776083273 VGYSUFUSBXDNQB-JMSVASOKSA-N 275.348 3.641 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2cc(F)ccc2F)s1 1776113744 SQZKKHFEURRTKU-DJWKRKHSSA-N 294.278 3.621 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(F)cc2F)c1 206089245 KNTNATXGRXUNGP-VURMDHGXSA-N 274.266 3.870 30 20 CHED N#Cc1ccc(CNc2ccc(NC(=O)C3CC3)cc2)s1 155853199 UGFBHJYHAMHOAK-UHFFFAOYSA-N 297.383 3.580 30 20 CHED N#CCN(Cc1cccc(OC(F)F)c1)C1CCCC1 156702059 WAZSZTJPMIYKMM-UHFFFAOYSA-N 280.318 3.556 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCCS1 126023024 CXWCJUHVZZRZGC-NSHDSACASA-N 286.322 3.885 30 20 CHED C[C@@H]1[C@@H](Nc2ccc(OCC#N)cc2)CCC[C@H]1C 252109888 HPSVKVHQMKUYPF-WWGRRREGSA-N 258.365 3.826 30 20 CHED C[C@@]1(CNc2nc3c(cc2C#N)CCCC3)CCCS1 168038618 MTKSPQYOZQJJGM-INIZCTEOSA-N 287.432 3.530 30 20 CHED C#Cc1cccc(NC(=O)c2c(C)cc(C)cc2C)c1 41637010 UQTMFCBPTCBENV-UHFFFAOYSA-N 263.340 3.845 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCSc1ccccc1Cl 264014956 CQLONRHZEPLQNY-LLVKDONJSA-N 296.823 3.583 30 20 CHED C[C@H](Cc1ccsc1)N[C@H](C)c1cccc(C#N)c1 49157079 TYUYKMGDJRYDQN-CHWSQXEVSA-N 270.401 3.902 30 20 CHED CC(C)(C)N(Cc1ccccc1)C(=O)c1cccc(C#N)c1 194908001 FGXNLUHDZLENPI-UHFFFAOYSA-N 292.382 3.999 30 20 CHED C[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1F 308717504 XVIRNWWCPOBCES-WBMJQRKESA-N 260.356 3.756 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@@H](F)C2)c(Br)c1 309546191 DKXNDUVPDUHHME-ZJUUUORDSA-N 283.144 3.623 30 20 CHED Cc1nc(N2CCC[C@H]3CCC[C@@H]32)c(Cl)cc1C#N 311523008 DIILDZXKTJUMQX-RISCZKNCSA-N 275.783 3.684 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)C1CCCCC1 467442403 MDASUKWYNZSYSD-CQSZACIVSA-N 256.393 3.659 30 20 CHED CS[C@H]1CC[C@@H](N(C)c2nc(C)c(C#N)cc2Cl)C1 707248687 ICXDVSKTBXQXDR-NEPJUHHUSA-N 295.839 3.635 30 20 CHED C(=NOCc1ccccc1)c1coc2ccccc12 746567252 XSKKDKGELFKBEN-UHFFFAOYSA-N 251.285 3.984 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC12CCCCC2 348525950 QLBINWVLHSXPBD-AWEZNQCLSA-N 276.424 3.888 30 20 CHED C[C@H](C#N)OC(=O)c1cccc(Oc2ccccc2)c1 3393263 FAIFMUVIJIXIPZ-GFCCVEGCSA-N 267.284 3.548 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1cccc(CC#N)c1 55618885 GCSLZCLXCMYZBP-UHFFFAOYSA-N 294.354 3.712 30 20 CHED N#Cc1ccc(Oc2cccc(NC(=O)C3CC3)c2)cc1 104416608 QNWFBSKUQLANDI-UHFFFAOYSA-N 278.311 3.699 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OCCC)c(OCC)c1 116854244 FVDCXHQTNXDSSB-ZDUSSCGKSA-N 291.391 3.569 30 20 CHED C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 108812762 YCJQAIFRKSTINR-FSPWUOQZSA-N 292.382 3.704 30 20 CHED N#Cc1cccc(OCCCCC(=O)OC2CCCC2)c1 110155918 QCGQBRPCXSFREV-UHFFFAOYSA-N 287.359 3.593 30 20 CHED CC(C)[C@@H](C)N(C(=O)Nc1cccc(C#N)c1)C1CC1 178364026 AHCSLLFNFWSUIP-GFCCVEGCSA-N 271.364 3.599 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 69324257 FLORCDLBUAEEHG-LSDHHAIUSA-N 297.398 3.998 30 20 CHED CC(C)CCN(CCC#N)C(=O)Cc1ccc2c(c1)CCC2 171549275 HLBMFOOFWPCNRX-UHFFFAOYSA-N 298.430 3.506 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(F)c1F 179798756 RPSBQDYAXRENCZ-SECBINFHSA-N 271.282 3.579 30 20 CHED C=CCOCCCC(=O)N[C@@H](c1ccccc1C)C(C)C 173359059 POIYPVLWVBPOGZ-GOSISDBHSA-N 289.419 3.791 30 20 CHED C#C[C@@H](CC)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1343352517 WXVLSYSNXLLGTI-JTQLQIEISA-N 275.735 3.698 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 119119761 LWZXJFQUUQGNCZ-NWDGAFQWSA-N 299.336 3.965 30 20 CHED C#CCOc1ccc(C(=O)N(C)C2CCCCCCC2)cc1 303914187 RTGUIDASAAHJPS-UHFFFAOYSA-N 299.414 3.884 30 20 CHED CS[C@H](C(=O)Oc1ccc(C#N)cc1)c1ccccc1 172353515 NIKSSSYGFCSTTE-HNNXBMFYSA-N 283.352 3.568 30 20 CHED C=CCCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 66394542 WYHIYFPAJUJYTJ-LLVKDONJSA-N 283.158 3.640 30 20 CHED C=CCCCC(=O)N1CCCc2cc(F)c(F)cc21 177547903 VXFXJFYULCINCD-UHFFFAOYSA-N 265.303 3.600 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1CCCSCC#N 174174337 NZUIURWJEJERLI-ZIAGYGMSSA-N 254.443 3.534 30 20 CHED COCCC1(CNc2cccc(F)c2C#N)CCCC1 301635087 DVWXRJBZPCAGCF-UHFFFAOYSA-N 276.355 3.706 30 20 CHED Cc1ccc(F)c2c1CCCN2C(=O)c1ccc(C#N)cc1 68144144 VQYZRMHZPKUTAV-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=CCC[C@@H](Nc1nc(COC)ns1)c1ccccc1 178845527 JPECXNXBRLYZML-CYBMUJFWSA-N 289.404 3.804 30 20 CHED N#Cc1ccc(Oc2ccc(-c3ccccc3)cc2)nn1 301870487 CVIDXBAOSBSLIX-UHFFFAOYSA-N 273.295 3.808 30 20 CHED COc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1 37216134 GYLZPTNCCPKFBQ-ZDUSSCGKSA-N 282.343 3.771 30 20 CHED N#Cc1cc(F)c(NCc2cccc3cccnc23)c(F)c1 301070364 BOJUCZGHQCCELR-UHFFFAOYSA-N 295.292 3.997 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2c2ccc(C#N)nn2)cc1 301970130 RAUBIFZFXWEHDA-KDOFPFPSSA-N 292.386 3.634 30 20 CHED N#Cc1ccc(N2CCOC3(CCCCCC3)C2)c(F)c1 301675863 QJWCNCVWOPHDBE-UHFFFAOYSA-N 288.366 3.627 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C#N)o1 188913854 XKESIMAZJBOHJH-UHFFFAOYSA-N 294.276 3.768 30 20 CHED C=CCCCC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 181120827 KIONYULIOAIMLA-ZBFHGGJFSA-N 293.794 3.643 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OC(C)C)c(C)c1 181750538 SSSLGMBFIGDSFY-UHFFFAOYSA-N 276.380 3.822 30 20 CHED C[C@H](CC(=O)OCCCC#N)Cc1ccc(Cl)cc1 180400027 LEICAWBTTABUFP-LBPRGKRZSA-N 279.767 3.756 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H]1CCC[C@@H](C)C1 180202328 RKQGBLDJAAKNFT-RDBSUJKOSA-N 258.365 3.968 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(CN2CCCCC2)c1 185073239 XFORFHASLAESQK-UHFFFAOYSA-N 298.430 3.661 30 20 CHED N#Cc1ccccc1COc1ccc(F)cc1Cl 37847122 MLDXPIHGPDJPKD-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#CCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 185229033 JCYZYCOJUGTJCE-HNNXBMFYSA-N 276.767 3.601 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 185699562 GKPIGSOBVDRJLF-RHSMWYFYSA-N 287.378 3.929 30 20 CHED C=C(C)[C@H](NC(=O)c1ccoc1C)c1ccc(F)c(F)c1 186050981 WUTVLFGETODRPH-HNNXBMFYSA-N 291.297 3.913 30 20 CHED CC#CCCCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 184988131 VTWVNTIJINTRRP-GFCCVEGCSA-N 279.330 3.678 30 20 CHED CC#CCCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 185623593 KTTMEXJAJZNLDT-ROUUACIJSA-N 283.415 3.708 30 20 CHED C=CCSCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 129037633 IUAIIYSOJSVTOT-NSHDSACASA-N 283.824 3.779 30 20 CHED Cc1sc2nc([C@H](C)SCCC#N)nc(N)c2c1C 413009878 DTQLNEMJLMGZEA-VIFPVBQESA-N 292.433 3.598 30 20 CHED CCCCCCCNc1ccccc1CN1CCNC1=O 184446642 LRPYASGDZOBWJT-UHFFFAOYSA-N 289.423 3.594 30 20 CHED Cc1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)c2c1CCC2 410742528 BALMMUJKISNYAP-UHFFFAOYSA-N 294.398 3.535 30 20 CHED Cc1ccc(CCCC(=O)NC2(C#N)CCCCC2)s1 79801163 UTWFFXIXCYGWJJ-UHFFFAOYSA-N 290.432 3.722 30 20 CHED C=CCN1CCC(c2ccc(Br)cc2)CC1 217243562 SVXAQMWCXOPBAJ-UHFFFAOYSA-N 280.209 3.815 30 20 CHED C[C@H](OC(=O)[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 126674815 MPIMWZMTJFNLCO-KBPBESRZSA-N 279.339 3.966 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 77687508 PVOOJFSSVXXJGG-ZWNOBZJWSA-N 282.368 3.881 30 20 CHED C#CCCCN[C@@H](C)c1cc2cccc(OCC)c2o1 181832325 DWPYDBQQZYXXEW-ZDUSSCGKSA-N 271.360 3.896 30 20 CHED CCCOc1ccccc1NC(=O)c1cccc(C#N)c1C 509027277 VQIRDQVJNJMOBY-UHFFFAOYSA-N 294.354 3.908 30 20 CHED Cc1ncsc1/C=C/C(=O)c1cccc(OC(F)F)c1 78693110 SJLJDDNEPMPOCR-AATRIKPKSA-N 295.310 3.949 30 20 CHED CO[C@](C)(C1CC1)[C@H](C)NCCC1(C#N)CCCCC1 411979506 ZYQRMYIUHUGOHH-HOCLYGCPSA-N 278.440 3.644 30 20 CHED C=C(C)CN(CC)C(=O)NCC1(c2ccccc2)CCC1 79051209 BCKKUVMZULNDBB-UHFFFAOYSA-N 286.419 3.716 30 20 CHED C=CCn1c(C)nnc1SCCCCc1ccccc1 186382310 IGCHLMSQONLENI-UHFFFAOYSA-N 287.432 3.888 30 20 CHED N#Cc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 47376192 LRNBCISKIIHORJ-INIZCTEOSA-N 297.317 3.597 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc(O)cc1 47832841 PQZLTFWZCVXOAD-RMKNXTFCSA-N 268.312 3.605 30 20 CHED COc1c(Cl)cc(Cl)cc1CNCC1(C#N)CCC1 418144922 VTXOPEZOKBOMPO-UHFFFAOYSA-N 299.201 3.785 30 20 CHED CCC(CC)(C(=O)NCC1(C#N)CCC1)c1ccccc1 416348272 SXWZRZQJTYTCES-UHFFFAOYSA-N 284.403 3.554 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(Cl)c1 500097077 GDVMFYSSPXAOAV-NSHDSACASA-N 252.745 3.816 30 20 CHED C=CC[C@@H](C)N[C@@H](COC)c1ccc(Cl)cc1 194102464 MELCFFJZRXCMDE-RISCZKNCSA-N 253.773 3.582 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1C[C@@H]1c1ccccc1 174378421 NFAKYMNXSLXGTI-JKSUJKDBSA-N 256.393 3.710 30 20 CHED Cc1ccc(CCCC(=O)[C@H](C#N)c2ccccn2)s1 80379167 RNBDPHIJOYAYJO-CQSZACIVSA-N 284.384 3.651 30 20 CHED CCCCCCCC[S@@](=O)Cc1cn2ccccc2n1 190818031 GJQVSLOHLVXIEM-HXUWFJFHSA-N 292.448 3.944 30 20 CHED C[C@@](C#N)(NC(=O)CCc1ccccc1)C1CCCCC1 519457395 ZMGDQMGMFKLXKA-SFHVURJKSA-N 284.403 3.598 30 20 CHED CCc1nc2cc(NC(=O)c3cc(C#N)cs3)ccc2o1 84281281 ULQACQHGJPETMW-UHFFFAOYSA-N 297.339 3.576 30 20 CHED CCCc1cc(C(=O)N(CCC#N)C(C)C)sc1C 608813933 LTFIOFFLDVQOKO-UHFFFAOYSA-N 278.421 3.773 30 20 CHED OC(=Nc1ccc2nncn2c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 329155562 CJVAJSWZIPXQKD-BPLDGKMQSA-N 298.390 3.924 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](c2ccccc2)C1 134993194 BKQPQIWTQHXMCF-DOTOQJQBSA-N 257.377 3.605 30 20 CHED Cc1ccc(F)cc1NC(=O)c1c(F)cc(C#N)cc1F 133230733 SDFYKRVOBHANIG-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)c1cc(C#N)ccc1Cl 512294917 YQQHGXIWBWOFEK-JRPNMDOOSA-N 290.794 3.766 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(Cl)cn1 424810458 WTMUOMQFDCNXOS-SNVBAGLBSA-N 266.772 3.515 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 80592271 JWLJQTFUIGIVII-ZLKJLUDKSA-N 278.783 3.522 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1 86284103 CRVWFZZXMFUEPM-QWHCGFSZSA-N 289.379 3.630 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N[C@@H](C#N)C(C)(C)C 424702653 GGQKHRSGAHRHHQ-ZBFHGGJFSA-N 286.419 3.618 30 20 CHED CC(C)(CC#N)CN[C@H](Cc1ccncc1)c1cccs1 424336789 QZBYJZXLQUIQKZ-OAHLLOKOSA-N 299.443 3.956 30 20 CHED N#Cc1ccccc1CN1CCC[C@H](CC(F)(F)F)C1 420952202 RTQYJMWHMSAMQE-GFCCVEGCSA-N 282.309 3.723 30 20 CHED C=CCC1(C(=O)N(C)[C@H](C)c2ccccc2)CCC1 193027449 MAWJQYNRNBYBED-CQSZACIVSA-N 257.377 3.952 30 20 CHED CCOc1cccc(N=C(O)NC2(C)CCCC2)c1 330570320 FBMYCLRSUGAWMW-UHFFFAOYSA-N 262.353 3.553 30 20 CHED C#CC[C@@H](C)OC(=O)c1sc(-c2ccc(C)o2)nc1C 83788831 UGYIRNXAIXVFCW-SECBINFHSA-N 289.356 3.589 30 20 CHED COc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C(C)C)cc1 424336778 YPLMSTDGGBSVKK-YSVLISHTSA-N 272.392 3.674 30 20 CHED C=CCn1cccc1C(=O)N(C)C/C(C)=C\c1ccccc1 427220212 SVPVCRRSBUXIST-PEZBUJJGSA-N 294.398 3.850 30 20 CHED CC1(C#N)CCC(NCc2coc3ccccc23)CC1 336228846 FVRKPHIULLCXFR-UHFFFAOYSA-N 268.360 3.995 30 20 CHED CC(C)C(=O)Nc1cccc(OCCC(C)(C)C#N)c1 337126113 FOXQNJKQYCSGTN-UHFFFAOYSA-N 274.364 3.600 30 20 CHED CCOc1cc(N=C(O)N2CCC[C@H]2CC)ccc1OC 330525264 PYIRTRVMOBIVBJ-CYBMUJFWSA-N 292.379 3.514 30 20 CHED N#C[C@@H]1CC[C@H](NC2CCC(OC3CCCC3)CC2)C1 424330820 REXWBPDUMQYGFZ-GJEMEMOUSA-N 276.424 3.539 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(F)cc1 97053686 GSNDBVFSTSTLMX-LBPRGKRZSA-N 281.396 3.731 30 20 CHED C=C(C)COCCN[C@@H](C)c1cccc(-c2ccncc2)c1 90451176 BWXMBPJCBBKFOX-INIZCTEOSA-N 296.414 3.992 30 20 CHED Cc1cnccc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 516537821 UXKFEVAKZYSHLN-MOPGFXCFSA-N 291.398 3.662 30 20 CHED C[C@H](N[C@@H](C)c1ccncc1F)c1ccc(C#N)cc1 338006504 CSAMJUFQJVUJSV-RYUDHWBXSA-N 269.323 3.504 30 20 CHED C=Cc1ccc(C(=O)N[C@H](C#N)c2ccc(CC)cc2)cc1 518253767 KZFJJPRXEWQQAA-GOSISDBHSA-N 290.366 3.887 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1scnc1C(C)C 334729942 VIWGZNUDUQFBQI-UHFFFAOYSA-N 285.372 3.699 30 20 CHED CC[C@H](C)n1ncc(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)c1C 330078052 NJWCWNMPIHRQST-MDZLAQPJSA-N 291.395 3.756 30 20 CHED C=CCCCCN(CC)CC(=O)Nc1c(C)cccc1C 515366989 OJTRGQKIXUTNQT-UHFFFAOYSA-N 288.435 3.920 30 20 CHED CC(C)COc1cccc(/C(O)=N/[C@@H]2CCC[C@@H]2C#N)c1 331089386 GHZWPTKUFQYCEQ-GDBMZVCRSA-N 286.375 3.718 30 20 CHED Cc1cscc1N=C(O)c1oc(CC2CC2)nc1C 330007316 FSZKAIXJCKHCFM-UHFFFAOYSA-N 276.361 3.942 30 20 CHED CC(=O)Nc1ccc(N[C@@H]2CCc3ccc(C#N)cc32)cc1 334988739 PBRXKYGEJLYSPZ-GOSISDBHSA-N 291.354 3.616 30 20 CHED C=C(CNCc1c[nH]nc1-c1ccsc1)c1ccccc1 436234627 YGRCAVBDGRAFNT-UHFFFAOYSA-N 295.411 3.941 30 20 CHED C[C@@H](CN(C)C(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 528023654 AQZDNSHTTANDNX-OFQRWUPVSA-N 291.439 3.536 30 20 CHED C=CCN(C(=O)Nc1ccc2occc2c1)C1CC1 529281115 MCDOGXWPGHWWSJ-UHFFFAOYSA-N 256.305 3.615 30 20 CHED N#Cc1cccc(Sc2ncnc3cc(F)c(F)cc23)c1 343907751 OBVBSBLTSKAXGY-UHFFFAOYSA-N 299.305 3.931 30 20 CHED N#Cc1ccc(N2CCCc3occc3C2)cc1Cl 341086772 QWSPNAMOSCFRNA-UHFFFAOYSA-N 272.735 3.757 30 20 CHED CC[C@H](c1ccccc1OC)N(C)C(=O)[C@@](C)(C#N)CC 345873774 FGDBBBHFXIQVHQ-RHSMWYFYSA-N 288.391 3.545 30 20 CHED CCn1c(SCCCCC(C)(C)C#N)nnc1C1CC1 436137508 VHEKQOXLCRESDC-UHFFFAOYSA-N 292.452 3.988 30 20 CHED N#CCC1(CNCc2cnc(-c3ccsc3)s2)CC1 430046652 ONUOVAUHFSSOQL-UHFFFAOYSA-N 289.429 3.655 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](C)Sc1ccccc1Cl 608816828 ZTWNWMCXZGMKNX-GHMZBOCLSA-N 296.823 3.629 30 20 CHED C=CCC[C@@H](CC)NC[C@H]1Cc2ccccc2N(C)C1 437107589 PYFOVQBEGBQPGE-NVXWUHKLSA-N 272.436 3.630 30 20 CHED CCc1ccc(CN(CCC#N)Cc2ccco2)s1 535063129 QPAQFRWASPVGOI-UHFFFAOYSA-N 274.389 3.819 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2OC)c(F)c1 255579309 RMAZZBLSJGTCPO-YFHOEESVSA-N 286.302 3.739 30 20 CHED CN(Cc1cccc2[nH]ccc12)c1c(C#N)cccc1C#N 436357673 DCISRHJKEFZXKM-UHFFFAOYSA-N 286.338 3.548 30 20 CHED Cc1ccc(C)n1C1CCN(C[C@H](C)CCC#N)CC1 602450907 CCSLYOKNMTUXQX-CQSZACIVSA-N 273.424 3.682 30 20 CHED CCOc1ccc(N=Cc2cccc(OC)c2O)c(C)c1 255172478 VNSNWLVLXDBADP-UHFFFAOYSA-N 285.343 3.859 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](Oc1ccccc1)c1ccccc1 522645142 BPCDHXVESNHYAX-CRAIPNDOSA-N 295.382 3.888 30 20 CHED CCCc1nc(CSc2ccc(Cl)cc2C#N)no1 601912581 ONBFZBPMVDBNHP-UHFFFAOYSA-N 293.779 3.839 30 20 CHED C=CCCCSCc1nc(Cc2ccccc2)no1 609803946 OSHMDFLFMSFHPV-UHFFFAOYSA-N 274.389 3.860 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 448817426 DIJHYAVTXXBYHR-QZTJIDSGSA-N 298.430 3.977 30 20 CHED CC(C)(C#N)CCCCN(CCO)CC1CCCCC1 444686260 CKCJTPMGGHCPNU-UHFFFAOYSA-N 280.456 3.581 30 20 CHED C=C(C)[C@H](CC(=O)N(CCCC)CC(F)(F)F)OCC 534389725 IGCTVHUEAINSHD-LBPRGKRZSA-N 295.345 3.549 30 20 CHED C=C(C)CCNC(=O)[C@H](c1ccccc1)[C@H](C)CC 448551006 PPVCMRSNRYVFPN-ZBFHGGJFSA-N 259.393 3.899 30 20 CHED C=C(C)CNCc1ccc(OCc2csc(C)n2)cc1 352856382 GRXGWXVOKCLEQI-UHFFFAOYSA-N 288.416 3.696 30 20 CHED C=CC(C)(C)CN[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 449483407 AGXFEUWCLBSCLS-ZIAGYGMSSA-N 291.435 3.998 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ncc(C)o1 355812645 MVNUGKNFWBBUAU-UHFFFAOYSA-N 277.368 3.583 30 20 CHED C=CC1CCN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 532557194 AJBIXQRAMTXMOM-UHFFFAOYSA-N 287.447 3.670 30 20 CHED CCO[C@H]1C[C@@H](NC2CCC(C)(C#N)CC2)C12CCCC2 449176650 QWBYMQZIZUUQDF-GMRIPVOYSA-N 290.451 3.786 30 20 CHED N#Cc1ccncc1NCC1(N2CCCCC2)CCCCC1 354561143 HDZHEOZFMFSYTA-UHFFFAOYSA-N 298.434 3.554 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)CCCC1 619111469 YYGSTYHHJVKYDX-JKSUJKDBSA-N 293.451 3.833 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCCC(CC)(CC)C1 618667816 FTAHWDZFDHXNJY-INIZCTEOSA-N 281.440 3.644 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2CCC2CCCC2)nc1 533185999 DJSKOFNRSOAFRB-INIZCTEOSA-N 297.402 3.528 30 20 CHED Cc1c(NC2CCC(C)(C#N)CC2)cnn1CC(C)C 449253005 SHPJMHAVLTZEQI-UHFFFAOYSA-N 274.412 3.732 30 20 CHED N#CCCN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 443071310 PVDGKMSSKPNYBP-OCCSQVGLSA-N 282.309 3.845 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2snc(Cl)c2C#N)C1 265297710 FOPNGXJKAZIGKK-HTQZYQBOSA-N 287.841 3.754 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC#N)cc1 536102851 GTOADNAPNWPBJI-NVXWUHKLSA-N 284.403 3.841 30 20 CHED C=C(CC)CN1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 539143718 JRWZJYZSJIBPAX-OAHLLOKOSA-N 297.345 3.628 30 20 CHED C=CCC1(CNC(=O)CCCC2CCOCC2)CCCC1 456499510 BZZPQMKNQZPCGO-UHFFFAOYSA-N 293.451 3.836 30 20 CHED Cc1ccc(CCCN[C@H]2CC[C@@H](C#N)C2)c(C)c1 619672187 YBZFWNGGHHAAJP-WBVHZDCISA-N 256.393 3.518 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 453315587 ZTGYTUHPMTZUKT-LBPRGKRZSA-N 286.419 3.779 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 610088888 MJZRARNMTXKOMK-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED CC[C@H](CC#N)Nc1ccc(C(F)(F)F)c(Cl)n1 273881346 RDPVLQVZMBGBCE-SSDOTTSWSA-N 277.677 3.858 30 20 CHED CCc1ccc([C@H](C)C(=O)N2CCC[C@](C)(C#N)C2)cc1 612238308 YQNKAIJWSMJGTK-KBXCAEBGSA-N 284.403 3.505 30 20 CHED Cc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1O 619441291 PVOCQMGAZBAUHX-UHFFFAOYSA-N 294.354 3.754 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 541487489 QCXGTPAUJDHQCW-CYBMUJFWSA-N 290.794 3.720 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 458371441 AQVVYZMIMONZND-JKSUJKDBSA-N 299.418 3.514 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)CCCC2=O 452313243 NAGYKDVHHWXFFD-UHFFFAOYSA-N 271.360 3.746 30 20 CHED CCCc1nc(C)c(COc2ccc(C#N)c(C)c2)o1 450922212 MPCVZXXQXLXWJN-UHFFFAOYSA-N 270.332 3.695 30 20 CHED CC(C)c1cccc(C(C)C)c1NC(=O)NCCC#N 362948626 JGLMKJBGVIKWFM-UHFFFAOYSA-N 273.380 3.969 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)Cc1ccsc1 610905871 FBRTVLWUIYRDMP-NSHDSACASA-N 299.399 3.681 30 20 CHED COCCOc1ccc(C#N)cc1N[C@H]1CCCC[C@@H]1C 544374477 QDJXTBOUVSWNRM-ZFWWWQNUSA-N 288.391 3.574 30 20 CHED N#Cc1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 365529874 WHTJOIIANOBKBJ-INIZCTEOSA-N 296.757 3.799 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 456842734 RISMTGCECFNLJF-UKRRQHHQSA-N 288.366 3.530 30 20 CHED C=C(CC)CNC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 455515924 CCRWEHBTJBMQCU-HIFRSBDPSA-N 290.382 3.679 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@](C)(CC)OC 452740959 OCAPDICKNOKWSP-INIZCTEOSA-N 293.432 3.510 30 20 CHED C=CCCO[C@H](C)c1nc(CC2CCCCC2)no1 273993207 YXYZLKRVVDSWNU-GFCCVEGCSA-N 264.369 3.846 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 455365231 KBEXUBIHEHLVFU-GDBMZVCRSA-N 286.419 3.786 30 20 CHED N#Cc1ccc(CN2CCC(c3cccc(F)c3)CC2)o1 362658348 YWQZGFJTHKSEED-UHFFFAOYSA-N 284.334 3.670 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC)c(SC)c1 457910372 JRNZDUANNHQYDX-UHFFFAOYSA-N 265.378 3.568 30 20 CHED CC(C)(CC#N)CNCc1csc2ccccc12 459694858 NZTCSBBYXADMMY-UHFFFAOYSA-N 258.390 3.931 30 20 CHED C#CCCCCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 279925242 KRUMIQQPLBJWLR-WBVHZDCISA-N 287.378 3.772 30 20 CHED C=C(C)CN(CC)C(=O)C1(Cc2ccc(F)cc2)CC1 275462070 MWUXNKCRKDFMGN-UHFFFAOYSA-N 275.367 3.573 30 20 CHED CCc1cc(C#N)ccc1OC[C@H](OC)c1ccccc1 549516319 JEHLMDPWQBXUSU-SFHVURJKSA-N 281.355 3.887 30 20 CHED C=CCOc1c(Cl)cc(CN2CCCC2)cc1OC 623344788 AXYYGTIMRQHCEQ-UHFFFAOYSA-N 281.783 3.509 30 20 CHED Cc1ccc([C@H]2CCCN2c2ccc(C#N)nc2)cc1 378010511 YJOJEPSORKBARH-QGZVFWFLSA-N 263.344 3.603 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1CSC)OCC 273548178 KXKGJTWVEYAVQM-HNNXBMFYSA-N 293.432 3.859 30 20 CHED Cc1n[nH]cc1C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 375394820 VRSIHDPYGSFBTC-AWEZNQCLSA-N 294.402 3.530 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCC(C)(C)C)c1 543435609 MWODFWCSGWOHHM-UHFFFAOYSA-N 258.365 3.999 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(NCC(C)(C)C)c1C 465474181 YZPQLJJTPKUIHJ-LBPRGKRZSA-N 274.408 3.757 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OCCC)c(OC)c1 627137791 LITQPTNCDKPEOW-UHFFFAOYSA-N 292.379 3.524 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(-c2ccc(C)o2)s1 543818231 VFFWMBDZBCRZAI-OAHLLOKOSA-N 288.372 3.739 30 20 CHED C=C(CC)CN1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 463216674 WGZUWGNXYVKUFT-MWDXBVQZSA-N 265.441 3.604 30 20 CHED CCOC(=O)c1ccc(NCc2ccc(CC#N)cc2)cc1 544098938 RJPJYEOAPWRRHM-UHFFFAOYSA-N 294.354 3.541 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cccc([N+](=O)[O-])c1C 467404991 OJWKLWILLMOWRC-OLZOCXBDSA-N 262.353 3.909 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)CC)cc1 626731801 XVIDMZWHKOQYLR-OAHLLOKOSA-N 286.375 3.852 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(OCC)c1 620861206 GXLWXFZKVIAKOM-UHFFFAOYSA-N 261.365 3.560 30 20 CHED C=CCCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 374649546 ZWQBGRQQETUWBC-BBRMVZONSA-N 273.376 3.571 30 20 CHED CC#CCN(CCc1ccc(C)cc1)Cc1ccco1 461751212 PQKDBVGMPHVIFE-UHFFFAOYSA-N 267.372 3.656 30 20 CHED CC#CCCCC(=O)NC1(C(F)(F)F)CCCCC1 466428710 QBMYYGJOFWVDHT-UHFFFAOYSA-N 275.314 3.561 30 20 CHED CC(C)c1cccc2c1OCC/C(=C/c1ccn(C)n1)C2=O 378401465 KHEPIHIBHXHWQU-QBFSEMIESA-N 296.370 3.592 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 281618493 NNYLTAPQWSONAL-TZMCWYRMSA-N 293.407 3.718 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2cc(C#N)oc2C)c(C)c1 280501716 CSYBGOVJDOHEGQ-CYBMUJFWSA-N 296.370 3.910 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc2c1ccn2C 558469825 UISOHHXOGJPAJT-UHFFFAOYSA-N 270.376 3.510 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@]12CC[C@H](C)[C@H](C)C2 639402802 CJODITSCZLBNOJ-PMUMKWKESA-N 284.403 3.893 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)c1ccccc1 468008396 AAPRCHSYMCZCTR-YOEHRIQHSA-N 259.393 3.851 30 20 CHED C#CCCCc1nc(-c2ccc(C(C)(F)F)cc2)no1 289837506 POFNPCMSTPXEDZ-UHFFFAOYSA-N 276.286 3.804 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc2nc(C)ccc2c1 280543013 DBQAHOZRGNUIGT-HKUYNNGSSA-N 296.414 3.614 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 462914260 STTARSDSDSASLH-MGPQQGTHSA-N 285.347 3.847 30 20 CHED C=CCC[C@H](CCC)N[C@@H](CO)Cc1ccccc1C 467382088 NPYVEDCMWZSACK-ZWKOTPCHSA-N 275.436 3.623 30 20 CHED C#CCCCC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 288433372 OLTWGMLTDVCXDD-WBVHZDCISA-N 269.388 3.790 30 20 CHED C=CC[C@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1cccs1 288776752 GWGCPXGZYSVLBX-AAEUAGOBSA-N 278.421 3.805 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1ccccc1CC#N 559250068 JJCWCPIFERQZOS-ZDUSSCGKSA-N 270.376 3.908 30 20 CHED C=CCCCCNC(=O)Cc1c(C)cc(C)cc1C 471711569 AOQXVLDQAWEWPO-UHFFFAOYSA-N 259.393 3.627 30 20 CHED CC(C)C(Cn1cccn1)=NNc1c(F)cccc1Cl 802711878 DECYIURWDURXHT-UHFFFAOYSA-N 294.761 3.800 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H](C)c1c(C)noc1C 294064402 BFTHFAJFFGYWFH-NSHDSACASA-N 278.396 3.504 30 20 CHED Cc1coc(-c2ccc(C)c(NC(=O)CCCC#N)c2)n1 291962135 ROKBPZHWKDJALZ-UHFFFAOYSA-N 283.331 3.591 30 20 CHED C=CCOc1ccccc1CNC(=O)C(C)(C)C(C)C 473532838 VWRQBMPEMJDPAM-UHFFFAOYSA-N 275.392 3.550 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(C)cc1)C(C)(C)C 808315201 WUTRWENJTUXTRA-DLBZAZTESA-N 298.430 3.889 30 20 CHED C#CCCc1noc(-c2c(-c3ccccc3)noc2CC)n1 809396319 BSJNWCPZDWKTCP-UHFFFAOYSA-N 293.326 3.520 30 20 CHED Cc1ccc(SC[C@H](C)Nc2cccc(C#N)n2)cc1 472659926 LUVFBLRYCQEYOZ-ZDUSSCGKSA-N 283.400 3.854 30 20 CHED C=CC(C)(C)c1nc(Cc2cc3ccccc3o2)no1 560354461 BACRSPSDSVBDFX-UHFFFAOYSA-N 268.316 3.870 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc(C2CC2)c1 566570213 MBVHUZFLBDGWTF-UHFFFAOYSA-N 284.403 3.966 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)Cc1ccccc1Cl 800211662 IYMHQFYEPMAZQQ-INIZCTEOSA-N 294.778 3.597 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc(C)cs1 296903210 ZFKRRXSHOLSMGJ-UHFFFAOYSA-N 275.373 3.520 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@H](C)CC[C@H]1C 569857686 JWXYSYVWUSLRKC-ZIAGYGMSSA-N 288.439 3.747 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(F)F 293439505 PIPASJXXEPAXFF-VIFPVBQESA-N 284.331 3.532 30 20 CHED C=CCN(C(=O)CCC(=O)c1ccccc1)c1ccccc1 647741843 LYJMTZQPBUIOSO-UHFFFAOYSA-N 293.366 3.869 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)OCCC(C)(C)C#N 803797361 JQCIHDWISNACQB-CQSZACIVSA-N 298.386 3.760 30 20 CHED Cn1c(SCC2(C#N)CCCC2)nnc1-c1ccccc1 806584055 BNVQBXQJXKNXJV-UHFFFAOYSA-N 298.415 3.658 30 20 CHED N#CCCCCCC(=O)OCCOc1ccc(Cl)cc1 805697508 YHNPQYCIAJGLGJ-UHFFFAOYSA-N 295.766 3.736 30 20 CHED CCOc1ccc(/C=N/[C@@H]2c3ccccc3O[C@H]2C)c(O)c1 809144513 NYWSJAWOTRSNRT-IGMMZMAFSA-N 297.354 3.732 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccccc2)cc1F 642882803 QFPRQEIHWRVRHC-TWGQIWQCSA-N 251.260 3.593 30 20 CHED CC1CC(=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 814697281 HIGBYAMRMAHOGB-UHFFFAOYSA-N 287.241 3.811 30 20 CHED CS[C@@H]1CC[C@H](N=c2c(C#N)c[nH]c3ccc(C)cc23)C1 813595612 ZMDZLRNYPWMHBO-UONOGXRCSA-N 297.427 3.533 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1ccccn1 812233142 RWASHBWABPOARL-UHFFFAOYSA-N 253.349 3.959 30 20 CHED COCCON=C(C)Cc1c(Cl)cccc1Cl 814865042 NKZSDLHQNUJCGS-UHFFFAOYSA-N 276.163 3.575 30 20 CHED CCn1c(C(C)=NOC/C=C\Cl)nc2ccccc21 811668998 LLPUBSLBPAYKBZ-OCZWDMSASA-N 277.755 3.549 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccc3oncc3c2)CC1 814912750 AENYPNXBIULMNP-UHFFFAOYSA-N 285.391 3.920 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)Cc1cccc(C)c1C)OCC 566624598 GOHKEOHEZSJWBO-QGZVFWFLSA-N 289.419 3.633 30 20 CHED Cc1c[nH]nc1C=NNc1cc(C)c2cc(Cl)ccc2n1 814767721 RNCLMAJIQSCJIC-UHFFFAOYSA-N 299.765 3.674 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 570707921 UCFFVDZILVUFGB-UHTWSYAYSA-N 288.778 3.781 30 20 CHED Fc1cc(C=NOC2CCC2)ccc1OCC(F)(F)F 812236942 BCMXMXYCVPDPPG-UHFFFAOYSA-N 291.244 3.670 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc([N+](=O)[O-])cc1 489083655 YIVWBHMTHIYWGC-ZDUSSCGKSA-N 295.342 3.659 30 20 CHED Cc1csc(NC(=O)N2C[C@H]3CCCC[C@H]3C2)c1C#N 573621725 JIJHKRHMPDYMJL-TXEJJXNPSA-N 289.404 3.582 30 20 CHED CC[C@H](C=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 814805996 MTACYHRUESRSKD-GFCCVEGCSA-N 284.319 3.581 30 20 CHED CC1=CC[C@@H](Nc2ccc(F)cc2OCC#N)CC1 816565086 ASAMEEQJYSXXLO-CYBMUJFWSA-N 260.312 3.639 30 20 CHED C[C@H](NN=C1CCC[C@H](C2CC2)C1)c1ccncc1 819814999 KRCPXRKNYLEJCT-WFASDCNBSA-N 257.381 3.688 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ncccc1F 579066712 BVJQUNYDUCVUJZ-KRWDZBQOSA-N 295.361 3.650 30 20 CHED CCOc1ccc(NN=Cc2ccccc2OC)cc1 814984976 YXHHXQYJBBJZCA-UHFFFAOYSA-N 270.332 3.540 30 20 CHED CCN(Cc1ccc(F)cc1C#N)c1ccccc1OC 489563677 DDEBVWNMAYKKFU-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C[C@@H](COc1cccc(F)c1)Nc1ccc(C#N)cc1F 485870346 OHRLUCVVYJYPPC-NSHDSACASA-N 288.297 3.716 30 20 CHED C#CCCCCCC(=O)Nc1cc(C(=O)CC)ccc1O 812707337 DDBYFDPVGWUNDI-UHFFFAOYSA-N 287.359 3.507 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 810347793 BMEBFYBUWIUFEG-FUHWJXTLSA-N 283.415 3.541 30 20 CHED Cc1cc(NN=Cc2nccs2)ccc1Br 814816695 ROZZGMUIDMTHLA-UHFFFAOYSA-N 296.193 3.660 30 20 CHED COc1ccc(C(C)=NOC2CCC2)cc1Br 812235201 AKKRRTMKDRAVCP-UHFFFAOYSA-N 298.180 3.751 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCC[C@@H](C)C2)cc1 570968741 KUESMXGXQLZSHK-COXVUDFISA-N 284.403 3.756 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc2ccccc12 572476599 VADWQWXKTMAGND-SJORKVTESA-N 296.370 3.695 30 20 CHED FC(F)SCc1ccc(C=NOC2CCC2)o1 812236702 TWFBKBGZFBSTIE-UHFFFAOYSA-N 261.293 3.638 30 20 CHED CC#CCCN[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 482162463 HSMNPRMUCJFCFI-OAHLLOKOSA-N 286.419 3.530 30 20 CHED CC(C)OCCON=Cc1csc2ccccc12 812238583 ALUQTUCPHDHVLR-UHFFFAOYSA-N 263.362 3.677 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1F 729149505 LGKHGVUGRXYWDF-ZZXKWVIFSA-N 284.286 3.759 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC[C@H]1CCCO1 482882605 REUOJBQTBUNPBA-MRXNPFEDSA-N 279.424 3.541 30 20 CHED CCCCCCCN1CC[C@](CO)(c2ccccc2)C1 812882312 HANWKNLIAJTZDZ-SFHVURJKSA-N 275.436 3.593 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2cnc3ccccc3n2)o1 727256193 LUSODFFDPHJGHJ-WCQYABFASA-N 292.342 3.792 30 20 CHED N#CCCCCOC(=O)c1cc(Cl)c2ccccc2n1 820755472 WZYZEZZOAXPVID-UHFFFAOYSA-N 288.734 3.739 30 20 CHED Cc1ccnc(NCC[C@@]2(C)CC2(Cl)Cl)c1C#N 829062850 JMGPHRBVYYXRBK-LBPRGKRZSA-N 284.190 3.648 30 20 CHED CC(C)C#CC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 821126193 GQHQGXFNVPYPAJ-LBPRGKRZSA-N 297.320 3.884 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1 497957842 ZIDQKYSNWSIWHT-CKEIUWERSA-N 287.403 3.806 30 20 CHED C#CCN(C(=O)Nc1ccc(C(C)=O)cc1)C1CCCCC1 491148364 VTFMJRYCGXGPCG-UHFFFAOYSA-N 298.386 3.689 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(C)cc2OC)C1 665831574 GBBNEZGHICXNIO-AWEZNQCLSA-N 288.391 3.824 30 20 CHED N#CC1(C(=O)Oc2cccc(C3CC3)c2)CCCC1 822174552 MVVNTNCWZKSRJB-UHFFFAOYSA-N 255.317 3.553 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(F)c3occc23)C1 905929677 RRWGNMCJACXJJL-MNOVXSKESA-N 287.290 3.811 30 20 CHED CCn1cncc1/C=C1/C(=O)c2ccccc2[C@@H]1C(C)C 901500913 UTQWPGIZHJRQDN-NDCSFFLDSA-N 280.371 3.923 30 20 CHED CCO[C@H]1CC(=NNc2nccc3sccc23)C1(C)C 736429684 DEILIKMSHABLSJ-ZDUSSCGKSA-N 289.404 3.899 30 20 CHED Cc1ccc2c(c1)OCC/C(=C/c1ccc(F)nc1)C2=O 588523965 MYQDOXUJAFBCBR-LCYFTJDESA-N 283.302 3.578 30 20 CHED CC(C)(CCC#N)CNc1ccc(N=S(C)(C)=O)cc1 821212718 GRIXBJGZCAMKDY-UHFFFAOYSA-N 293.436 3.788 30 20 CHED CCCCNN=Cc1ccc(-c2c(F)cccc2F)o1 734365440 HVTLZUPDZQJVEU-UHFFFAOYSA-N 278.302 3.948 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)CCc1ccc(C#N)cc1 497746241 QUGBMHGZRUQYFD-DLBZAZTESA-N 284.403 3.576 30 20 CHED C=CCN(C(=O)c1cc(C2CC2)nn1CC)c1ccccc1 908268163 JZUPVDBTWSOIEB-UHFFFAOYSA-N 295.386 3.613 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(C2CCC2)cc1 494801598 SAQFQNPGPRIAPX-ZDUSSCGKSA-N 272.392 3.718 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CCCCCC#N 588160511 ZBUQHXKGMNZZEV-KBPBESRZSA-N 264.413 3.791 30 20 CHED C=CC[C@@H](C)NC(=O)NCC1CCCCCCC1 735092801 GXTAQEIPEITYJO-CYBMUJFWSA-N 252.402 3.611 30 20 CHED Cc1ccc(C)c(N(C)C(=O)CCCCCC#N)c1 588752847 PSYYMCSVTKZUPA-UHFFFAOYSA-N 258.365 3.740 30 20 CHED COC(=O)c1ccc(NN=C2CC[C@H]2C2CCC2)cc1F 835017824 AZDYACGGOIYSKE-LBPRGKRZSA-N 290.338 3.590 30 20 CHED CCc1cccc(C)c1NN=Cc1c(C)noc1CC 901234584 LQTKIJQVPDEMJZ-UHFFFAOYSA-N 271.364 3.862 30 20 CHED CC(C)N(C(=O)CCCCCC#N)c1ccccc1 588887637 OVFTYUMZGXBJKT-UHFFFAOYSA-N 258.365 3.902 30 20 CHED CC1(C)CCC[C@H](C(=O)N(O)Cc2ccc(F)cc2)C1 901372287 WBUUXCPBLGOZAD-ZDUSSCGKSA-N 279.355 3.760 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)c1ccsc1)c1ccncc1 737854692 KVUGWODYQGIIMG-DOMZBBRYSA-N 286.400 3.680 30 20 CHED CC(C)Cn1ncc(N[C@H]2CCC[C@H](C#N)C2)c1C1CC1 588232845 WVNHIELBMKWBMR-ZFWWWQNUSA-N 286.423 3.911 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)c1ccc(F)c(Cl)c1 835110351 IIJKNKFITREMAE-UDZFHETQSA-N 298.741 3.674 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(O)Cc1ccc(F)cc1 901373007 RASOMJCQHJWVEF-DLBZAZTESA-N 299.345 3.656 30 20 CHED C#Cc1cc(F)c(NCc2coc(C(C)(C)C)n2)c(F)c1 901403461 WSMHBCXUTKVAJX-UHFFFAOYSA-N 290.313 3.844 30 20 CHED C#CCOc1ccc(CN[C@H](C)Cc2ccc(F)cc2)cc1 733325127 ZOZZELYWUVDJGD-OAHLLOKOSA-N 297.373 3.559 30 20 CHED C=C[C@H](CC)CC(=O)N(CC#N)c1ccc(F)cc1C 906081453 LNAGXVIAWHPCQL-CYBMUJFWSA-N 274.339 3.593 30 20 CHED CN(C(=O)c1cccc(C#N)n1)C1CCC(C(C)(C)C)CC1 589292404 VOUFXYHEUHLPER-UHFFFAOYSA-N 299.418 3.630 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2CCCCCC2)c1 580938866 TVSNKAVMCFCHJU-ZWKOTPCHSA-N 296.414 3.748 30 20 CHED CCC(COC)=NN=C1c2ccccc2-c2ccccc21 735972384 ACBUJRFJQRUIKG-UHFFFAOYSA-N 278.355 3.917 30 20 CHED C=CCN(C(=O)NCCCC1CCCCC1)C(C)C 918068862 DVIRJNDJDMLLPR-UHFFFAOYSA-N 266.429 3.953 30 20 CHED c1ccc(C2CCC(=NNCCN3CCCCC3)CC2)cc1 915974990 YPNXBJHKAFKDJC-UHFFFAOYSA-N 299.462 3.776 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 596640649 NVDOMLTWBJYCDA-ZDUSSCGKSA-N 277.755 3.522 30 20 CHED C=CCOC(=O)CCCOc1ccc(Cl)c(C)c1 916592182 OEIUPWCVDUTPAX-UHFFFAOYSA-N 268.740 3.537 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2coc3ccc(Cl)cc23)C1 593176402 GGSUULDGCLQDNK-GXSJLCMTSA-N 288.734 3.508 30 20 CHED N#CC1(Cc2nc(CC3CC(F)(F)C3)no2)CCCCC1 596601125 OJXYTOSXPYMOSP-UHFFFAOYSA-N 295.333 3.674 30 20 CHED CN(C(=O)c1ccc(C#N)[nH]1)C1CC(C)(C)CC(C)(C)C1 598098218 URCDLVUUUBLJMO-UHFFFAOYSA-N 287.407 3.563 30 20 CHED Fc1ccc(/C=C\C=NNCc2ccc(F)c(F)c2)cc1 747753244 LSRWSHXZFGJPRK-QUOARBMVSA-N 290.288 3.893 30 20 CHED C=CCN(C(=O)COc1ccc2ccccc2c1)C(C)C 914683030 BPQCXHLNTDRHOI-UHFFFAOYSA-N 283.371 3.642 30 20 CHED N#Cc1cccc(C2(NCc3cccc4c3CCC4)CC2)c1 593609936 ZWLGFUAXFDDOCI-UHFFFAOYSA-N 288.394 3.826 30 20 CHED N#Cc1cc(NCc2cc(C3CC3)no2)ccc1Cl 594701134 KUGXSFMPKDTWKL-UHFFFAOYSA-N 273.723 3.689 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)C1CCC1)c1ccccc1 677587621 CFRJVOLOBZRXSI-KBPBESRZSA-N 257.377 3.651 30 20 CHED C[C@@H](NC(=O)[C@H]1CCCCC1(F)F)c1cccc(C#N)c1 590672842 BWOAKEQKIFCGKY-BXUZGUMPSA-N 292.329 3.561 30 20 CHED CCC[C@H](C(=O)N[C@H](C#N)CC)c1cccc(Cl)c1 599237297 JIGLVMQOYGFASF-KBPBESRZSA-N 278.783 3.642 30 20 CHED CCCc1ccc(C(C)=NNc2nc(C)cc(C)n2)cc1 916241827 IOHXTKFSVJAHSK-UHFFFAOYSA-N 282.391 3.882 30 20 CHED CC[C@@H](C)CCCCC(=O)N1CCC[C@H](CC#N)C1 597906336 WWEQJYAEEGDZJY-HUUCEWRRSA-N 264.413 3.745 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H](CC#N)C1 595611691 MWZWNPKZQUQNSG-NEPJUHHUSA-N 264.319 3.651 30 20 CHED N#C[C@@H](C(=O)/C=C/C1CCCC1)c1cnc2ccccc2n1 842776790 ZWZXEZAZKQYRTO-ATWMFIQVSA-N 291.354 3.552 30 20 CHED C(=NNc1ccccc1)c1cnc(-c2ccccc2)nc1 917530325 DTWIDTDAQZPDNU-UHFFFAOYSA-N 274.327 3.590 30 20 CHED N#Cc1ccc(CNC(=O)/C=C\C2CCCC2)cc1Cl 843590455 IPSMHGWDPGXASL-VURMDHGXSA-N 288.778 3.574 30 20 CHED C/C(=C/C(=O)OCc1cccc(C#N)c1)C(C)(C)C 744118671 FKCTYPULPNBGCU-WQLSENKSSA-N 257.333 3.594 30 20 CHED C#C[C@H](OC(=O)CCCOC(C)(C)C)c1ccc(F)cc1 842409050 YQFQZWAYUMWOQG-HNNXBMFYSA-N 292.350 3.639 30 20 CHED COc1ccc(O)c(C(C)=NNc2ccc(C)cc2)c1 916250486 HVDSNUHHXBKOET-UHFFFAOYSA-N 270.332 3.545 30 20 CHED C#CCN(Cc1c(O)ccc2ccncc12)C1CCCCC1 744153818 JMDRCDATBIUDTM-UHFFFAOYSA-N 294.398 3.708 30 20 CHED CC(C)N(C(=O)CC1(C#N)CCCCC1)C1CCC1 597286637 GYXDLRAQXSELSO-UHFFFAOYSA-N 262.397 3.640 30 20 CHED COc1ccc(O)c(C(C)=NNc2ccccc2Cl)c1 916262842 QNXZURCFHKFNEO-UHFFFAOYSA-N 290.750 3.890 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H](c2ccccc2)C1 595297309 QWGJNTFSMYTLGS-ZWKOTPCHSA-N 262.356 3.741 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC[C@@H]2C[C@H]3CC[C@H]2O3)n1 591175567 BVVHJEHIWUBRRN-BPLDGKMQSA-N 299.418 3.620 30 20 CHED CC(C)[C@H]1CCCC1=NNc1cnnc2ccccc12 747750535 VGVNRFYOKMDSQQ-GFCCVEGCSA-N 268.364 3.854 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccccc1SC(F)F 844492570 HUUPZHYMKIRINB-QMMMGPOBSA-N 288.319 3.629 30 20 CHED CSCCCCC(=O)O[C@H](C)c1cccc(C#N)c1 740546258 SXHYQMVQDPKPJO-GFCCVEGCSA-N 277.389 3.696 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1ccc(C)cn1)c1ccccc1 682771318 MSGHNLZVDQEGHB-INIZCTEOSA-N 294.398 3.708 30 20 CHED C(=NNc1ccccc1)C1CCN(Cc2ccccc2)CC1 853255143 UMGOVUGPAVYQRY-UHFFFAOYSA-N 293.414 3.997 30 20 CHED C/C=C(/C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 751353168 CSYLYLFUHWNJEY-JYOAFUTRSA-N 297.383 3.510 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1cc(Cl)ccc1O 757468309 QEXFYXUKFSYGKD-DAFODLJHSA-N 294.137 3.990 30 20 CHED C=CC[C@@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccncc1 752982219 SPUQCLSXPRNJPB-DZGCQCFKSA-N 287.407 3.529 30 20 CHED Cc1cc(C(=O)OC[C@H](C#N)Cc2ccccc2)c(C)s1 750783277 FZIUAPBZVPWEMS-HNNXBMFYSA-N 299.395 3.904 30 20 CHED C#CCCCCNC(=O)CCc1ccc(CC(C)C)cc1 752087879 ZCUUGAONUCNLGG-UHFFFAOYSA-N 285.431 3.737 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1nc2ccccc2s1 929411147 GQTFMMLJQULVSM-GFCCVEGCSA-N 288.416 3.857 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1ccccc1F 755568388 AEAASONVNSGFQK-FNORWQNLSA-N 260.239 3.567 30 20 CHED COc1cccc2c1C/C(=C\c1c[nH]nc1C(C)(C)C)C2=O 759665811 QPAYEAHSDZOOOL-DHZHZOJOSA-N 296.370 3.538 30 20 CHED CCCCCCCCNC(=O)c1scnc1C 754855226 TWBMMPXFXAYAJY-UHFFFAOYSA-N 254.399 3.542 30 20 CHED C#C[C@@](C)(CC)NCc1ccc(OCc2cccnc2)cc1 852101445 FZOUICFDHIWINQ-IBGZPJMESA-N 294.398 3.552 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1ccc(OC(F)F)cc1 924573170 URGXLVMZCKUMHP-GFCCVEGCSA-N 296.361 3.748 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2c(F)ccc3ccncc23)C1 857627065 FINUQPRJELBZIP-WCQYABFASA-N 298.317 3.613 30 20 CHED C#CC1CCC(=NNc2cc(F)c(F)cc2F)CC1 853308555 NNUXXZZURUTDSO-UHFFFAOYSA-N 266.266 3.695 30 20 CHED O=C(/C=C/C1=Cc2ccccc2OC1)c1cc(F)ccc1O 757469133 ZQSNGLXABVAGPS-FNORWQNLSA-N 296.297 3.746 30 20 CHED COc1ccccc1CC(=NO[C@@H]1CCCCO1)C(C)C 755824897 ZPDUHWUTBDUBLS-QGZVFWFLSA-N 291.391 3.793 30 20 CHED C=CCOc1ccc(C=NOCC(F)F)cc1Cl 758906697 KIVSGNAQIFJNTH-UHFFFAOYSA-N 275.682 3.520 30 20 CHED C#Cc1ccc(NC(=O)NC[C@@H]2CCCCC2(F)F)cc1 934931211 UYVCUTYRXIRJLR-ZDUSSCGKSA-N 292.329 3.615 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC(C)C)CC(F)(F)F 930786772 MSYUFTDICURGSB-NSHDSACASA-N 265.319 3.636 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C\c1ccccc1F 851214398 PZACRUDZFVDEPY-LAUAKBEESA-N 275.323 3.710 30 20 CHED Cc1cc(C)cc(OCCCN(CCC#N)CC(C)C)c1 755671283 XEOIMNHFNIFBJT-UHFFFAOYSA-N 288.435 3.944 30 20 CHED C#CC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1 757003904 RGWYIXFWCXDDAF-UAGQMJEPSA-N 284.403 3.629 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1c(Cl)cc(F)cc1Cl 1339291097 NXJCKORNBXGVEQ-SSDOTTSWSA-N 289.137 3.507 30 20 CHED CC(=NN=CC1CCC(C(F)(F)F)CC1)c1cnccn1 767381414 XFFSGWQXSDFCBU-UHFFFAOYSA-N 298.312 3.640 30 20 CHED Cc1cccc(NN=Cc2cn(C)nc2C2CCCCC2)n1 863159833 GBJJYJCGNRBWEF-UHFFFAOYSA-N 297.406 3.617 30 20 CHED Cc1cccc2oc(C(=O)N(CC#N)C3CCCC3)cc12 933241888 RMKQCBBOMQUTSE-UHFFFAOYSA-N 282.343 3.650 30 20 CHED C#CCCN(CC(F)(F)F)[C@H](C)Cc1ccsc1 768534787 RWWCATSYSCSXMN-LLVKDONJSA-N 275.339 3.567 30 20 CHED CC#CC(=O)Nc1ccc(OCc2ccccc2)cc1C 764540573 OFHSOTUNVLLSTM-UHFFFAOYSA-N 279.339 3.536 30 20 CHED C=CCCCOC(=O)/C=C\c1ccc2[nH]ccc2c1 765956564 AUYKBTJKSARATR-VURMDHGXSA-N 255.317 3.691 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](F)c1ccccc1 769352706 GPDFEOZRVOHSIC-HNNXBMFYSA-N 289.375 3.974 30 20 CHED C#CCOCCC(=O)O[C@@H](CC)c1ccc(Cl)cc1F 767605258 DLHYNIRPDMMMJD-AWEZNQCLSA-N 298.741 3.513 30 20 CHED CC(C)O[C@H]1CC(=NNc2ccc(F)cc2F)C1(C)C 764890904 GCNWWWUNUFVMRK-AWEZNQCLSA-N 282.334 3.956 30 20 CHED CC[C@H](NCc1cccc(OCC#N)c1)[C@@H]1CC1(C)C 1119293085 OCZUOVYZANHZTL-HOTGVXAUSA-N 272.392 3.503 30 20 CHED CC(=NNc1cccc2cnccc12)c1cncc(C)c1 767376206 ABEIRCZKLDCUTO-UHFFFAOYSA-N 276.343 3.774 30 20 CHED C=C(Cl)COC(=O)C1(c2cccc(F)c2)CCC1 875614163 NEZJUJZQYMIAAZ-UHFFFAOYSA-N 268.715 3.543 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)c1ccc(C#N)c(C)n1 1116372417 MMWDXYDCWNDUNI-UHFFFAOYSA-N 299.761 3.784 30 20 CHED O=C(/C=C/c1ccco1)OCC#Cc1cccc(Cl)c1 773102823 DAYFXGXVIBADJH-CMDGGOBGSA-N 286.714 3.541 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccc3[nH]ncc3c2)C1 779815557 BYBGTFADLWVPMB-NEPJUHHUSA-N 256.353 3.787 30 20 CHED CC(C)Oc1cccc(OC(=O)c2cccc(F)c2C#N)c1 778633702 CGPBJHKCFHICIA-UHFFFAOYSA-N 299.301 3.704 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccc(C#N)c(F)c1 776726999 RBJFROPAZGYCCG-MDZDMXLPSA-N 295.313 3.992 30 20 CHED CC1(C)Cc2cc(N[C@H]3CCC[C@@H](C#N)C3)ccc2O1 774341759 CSPILSCZXNJCTG-OCCSQVGLSA-N 270.376 3.894 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1ccc(C)cc1O 776190185 PJOQSZDOCRKLBQ-KTKRTIGZSA-N 298.338 3.614 30 20 CHED Cc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)c(C)n1 773030106 KHJPOELHVVDEQO-GFCCVEGCSA-N 283.350 3.560 30 20 CHED Cc1ccc(C=NNc2ccc3[nH]ncc3c2)cc1C 779816377 JGFYJLIVLGHNEX-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C[C@@H](OC(=O)C#Cc1ccccc1)c1cc(F)ccc1F 773454236 UXKUDBOXGCZGNK-GFCCVEGCSA-N 286.277 3.621 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC[C@H](C)SC)c1 773328207 IWEOQAIRSBEOFX-ZDUSSCGKSA-N 275.417 3.553 30 20 CHED CCCCCCCCCNC(=O)N1CCC(C)(OC)CC1 775408253 IVBCBDRTTZOROI-UHFFFAOYSA-N 298.471 3.948 30 20 CHED CC1CCC(=CC(=O)Nc2cnc(Cl)cc2C#N)CC1 1121114318 AFJGAGMBZORRKV-UHFFFAOYSA-N 289.766 3.682 30 20 CHED CC(C)(C(=O)OCc1cccc(C#N)c1F)c1ccccc1 774901015 OAJIZJRMVQBWMA-UHFFFAOYSA-N 297.329 3.718 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)CCCCC(C)(C)C 1123234320 UEAKVMQQPKKCHS-CYBMUJFWSA-N 275.396 3.686 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(Cl)cc1 782007757 GUHUNQLZNUAROT-UHFFFAOYSA-N 265.740 3.827 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2OC(=O)c1ccc(C#N)[nH]1 1122717889 OYFQLJNNXHODIF-NHYWBVRUSA-N 280.327 3.600 30 20 CHED C=C1CCC(C(=O)N(c2nc(C)cs2)C2CC2)CC1 889100185 RAJKHQGTKZAGCH-UHFFFAOYSA-N 276.405 3.693 30 20 CHED COc1ccc(O)c(C=Nc2cccc3c2OC(C)(C)C3)c1 788674075 CXHONHQGSQWZFS-UHFFFAOYSA-N 297.354 3.865 30 20 CHED CC(C)[C@H](F)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 784147846 ZRKMTAFZBYDKDU-GJZGRUSLSA-N 290.382 3.659 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1cc(C)ccc1C 780251050 RFSRHNARGLEBMG-OAHLLOKOSA-N 274.408 3.575 30 20 CHED CCON=Cc1cnc(-c2ccc(Cl)cc2)s1 788975915 SALJPEZFHFFGTL-UHFFFAOYSA-N 266.753 3.834 30 20 CHED C=C1CC(c2noc(-c3ccc(C(C)C)nc3)n2)C1 896884168 WMVHFLIOOJIQKZ-UHFFFAOYSA-N 255.321 3.689 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CC(C)(COC)C1 788895122 XJNLULNEAHTRNF-HNNXBMFYSA-N 298.471 3.661 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cnn(C2CCC2)c1 899341237 XJCQKTDPVPMIGB-MDZDMXLPSA-N 266.344 3.813 30 20 CHED CS[C@@H](CNc1snc(Cl)c1C#N)C(C)(C)C 784174221 MSXPBLRANRLVFD-QMMMGPOBSA-N 289.857 3.858 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)Cc2c(F)cccc21 899350605 JHYDHWCTIISCIA-KPKJPENVSA-N 282.318 3.570 30 20 CHED Cc1cc(C)c(C(=O)OCc2ccc(Cl)cc2C#N)o1 780038239 ZSAGLFSASCHEPY-UHFFFAOYSA-N 289.718 3.779 30 20 CHED C=CC[C@H](C(=O)N(CC(F)F)C1CCC1)c1ccccc1 895143397 LDUWBLTUNMWLKN-HNNXBMFYSA-N 293.357 3.993 30 20 CHED C=C1CC(c2noc([C@H]3[C@H]4c5ccccc5C[C@H]43)n2)C1 896873841 HBAQGAFROURIPW-QLFBSQMISA-N 264.328 3.557 30 20 CHED CO[C@@H]1Cc2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2C1 784075928 HSCVCKUXGFBMAF-BFUOFWGJSA-N 292.382 3.845 30 20 CHED CC(C)C(C)(C)C(=O)OCc1ccc(Cl)cc1C#N 784154281 KVRGLLWTNSOJMA-UHFFFAOYSA-N 279.767 3.937 30 20 CHED C#CCC1(C(=O)OCc2cc(C#N)ccc2F)CCCCC1 788211953 DPUGOOJVEGCVBD-UHFFFAOYSA-N 299.345 3.714 30 20 CHED CCc1ccccc1C(=O)Nc1cc(C#N)c(F)cc1F 1132470310 JIIRMAPUMUEMIL-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C=CCCN(C)C(=O)NCC1CCCCCCC1 786113706 UKASNVGMEBQBBZ-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc(CCC(C)=O)cc1 892440930 GLLHAHYPZUNVFD-UHFFFAOYSA-N 274.360 3.716 30 20 CHED Cc1cccnc1NN=C1c2cccc(F)c2CC[C@@H]1C 790192632 ABCMQACSXOWERO-NSHDSACASA-N 283.350 3.928 30 20 CHED CCCCCCC[C@H](C)CN[C@H]1CCOC[C@@H]1C 792924970 ZSQSNWVOPPPNQS-JYJNAYRXSA-N 255.446 3.998 30 20 CHED N#Cc1ccc(C(=O)OCc2c(Cl)cccc2Cl)o1 796152488 GBELKMOYSGYIJK-UHFFFAOYSA-N 296.109 3.815 30 20 CHED C[C@H](OC(=O)c1occ2c1CCC2)c1cccc(C#N)c1 796963278 RUNCQPSLVAXCEI-NSHDSACASA-N 281.311 3.558 30 20 CHED C#CC(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 792551274 JUUNRSNLNOJYDG-CQSZACIVSA-N 295.304 3.782 30 20 CHED CCCCCCCCC[S@](=O)Cc1cc(C)n(C)n1 790140217 QHUINSYYPALPQD-IBGZPJMESA-N 284.469 3.728 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(C)C 799047386 XMNMJWVCPZXNNQ-QMTHXVAHSA-N 298.213 3.871 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)o1)c1cccc(Cl)c1 796141350 KGGXZYYAAXIYTC-SECBINFHSA-N 275.691 3.723 30 20 CHED CCC(=NNCCC(F)(F)F)c1cc(F)ccc1F 794550948 LMLPECKVUXBWCT-UHFFFAOYSA-N 280.240 3.621 30 20 CHED CC(=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[C@@H]1CCCOC1 794541827 ULLBRRLZAUSYJD-KCYZZUKISA-N 278.440 3.593 30 20 CHED C/C(=C\C(=O)NCC1(CC#N)CC1)c1ccccc1Cl 797563266 RHIQSABRBLYPSM-ZRDIBKRKSA-N 288.778 3.553 30 20 CHED CC(=NNCC1(C)CCCC1)c1ccc(C#N)cc1F 793084346 MMHZSDNEHMJWOT-UHFFFAOYSA-N 273.355 3.591 30 20 CHED CCc1ccc(C(=O)/C=C\c2c(F)ccc(O)c2F)o1 794941144 JEJOJXNAXUZGHB-XQRVVYSFSA-N 278.254 3.722 30 20 CHED C=CCCCOC(=O)COc1c(C)cc(C)cc1C 735525663 LPQVBINWUBZQAR-UHFFFAOYSA-N 262.349 3.500 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)s1 588812529 PARQITBAEJNKGQ-UHFFFAOYSA-N 296.273 3.891 30 20 CHED Cc1ccc(C(=O)N2CCCc3sccc3C2)cc1C#N 799415328 NKVHQFWSZJAQDJ-UHFFFAOYSA-N 296.395 3.517 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 793552296 XQTABXJFTBRQSC-UKRRQHHQSA-N 261.413 3.902 30 20 CHED N#Cc1ccc(COc2cccc(Cl)c2Cl)nc1 574350559 VQZSRHUMQMIANC-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1nccc2ccccc12 1308624814 CNBTZVKVUWWYDE-UONOGXRCSA-N 267.376 3.777 30 20 CHED C=C(Br)CN1CC2(CCC2)c2c(F)cccc21 1167669413 YKQRRXVCCLDENY-UHFFFAOYSA-N 296.183 3.976 30 20 CHED CCN(Cc1ccccc1F)c1cccc(F)c1C#N 1318126711 WXYWSFQORDITHX-UHFFFAOYSA-N 272.298 3.863 30 20 CHED COc1cc(CN2CC[C@@H](C3CCCCC3)C2)ccc1C#N 1238409942 SIMPJYGRMFUQTQ-GOSISDBHSA-N 298.430 3.969 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(C)(C)C1(C)C 1319831562 ICVHBNOMKWSTTE-GFCCVEGCSA-N 252.402 3.561 30 20 CHED N#Cc1cccc(CC(=O)OCc2ccccc2C2CC2)c1 1327198883 WIPYVXCXRCCCAB-UHFFFAOYSA-N 291.350 3.722 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N(C)[C@@H](C)CC#N 1337671273 YZMLUJRCMVAHOU-JTQLQIEISA-N 296.823 3.826 30 20 CHED C[C@@H]1CCCC[C@H]1COC(=O)CCCCCC#N 1350079128 ULSQFDQREYNPIP-KGLIPLIRSA-N 251.370 3.830 30 20 CHED N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)c(F)c1 1355098702 LYGYJGCEUUYJQG-KRWDZBQOSA-N 294.329 3.578 30 20 CHED CC(C)[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)c1cccnc1 1350311383 KBHNPURIKAUAQT-JKSUJKDBSA-N 298.342 3.612 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(C#N)cc1C(C)=O 1436276908 ZOEQFBWDWBNNQY-AWEZNQCLSA-N 286.375 3.916 30 20 CHED CCC[C@@H](CC)C(=O)Nc1sc(CC)cc1C#N 1517577134 RDRNZLZSNLGJLP-SNVBAGLBSA-N 264.394 3.947 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)O)cc1F 1602855677 XCZNBXQVJJHOJN-MLGOLLRUSA-N 291.366 3.748 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(/C=C/c2ccccc2)cs1 1465081916 VFOJWVSJTRBFIF-MMQHEFTJSA-N 297.383 3.802 30 20 CHED N#Cc1ccc(Sc2nc(Cl)c(C(=O)O)s2)cc1 1608213535 PYWOSJVYUBKXLR-UHFFFAOYSA-N 296.760 3.518 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1C)C1CCCC1 1460044536 YJIBYENCWONJGH-INIZCTEOSA-N 270.376 3.565 30 20 CHED C#CCSCCNC1c2ccccc2-c2ccccc21 226730622 XVEMEBVAAHGNEB-UHFFFAOYSA-N 279.408 3.712 30 20 CHED Cc1cc(C(=O)COc2ccc(C#N)c(F)c2)c(C)s1 113649711 UVJSUIOHNGQLAX-UHFFFAOYSA-N 289.331 3.637 30 20 CHED N#Cc1cc2c(nc1OCCC1CCC1)CCCCC2 1559455999 JHGLOHHMVDSFGA-UHFFFAOYSA-N 270.376 3.791 30 20 CHED N#Cc1cccc(OCc2cnc(-c3ccccc3)nc2)c1 1559352039 XOQSXWLGPALQSJ-UHFFFAOYSA-N 287.322 3.594 30 20 CHED N#Cc1ccc(Oc2nc3ccccc3nc2F)c(F)c1 1559137419 ZUTVQXJJLBZBJJ-UHFFFAOYSA-N 283.237 3.572 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 1634291279 IZTXHOFTSZXFIT-PWSUYJOCSA-N 292.329 3.535 30 20 CHED CO[C@]1(C)C[C@H](NCCC2(C#N)CCCCC2)C1(C)C 1653642594 QOLWHKTZYNGYRY-GOEBONIOSA-N 278.440 3.644 30 20 CHED COC(=O)c1ccccc1CSc1ccc(C#N)c(C)c1 1656667431 UOJFOYABCAAPRE-UHFFFAOYSA-N 297.379 3.946 30 20 CHED N#Cc1ccc(F)cc1CN1CCC[C@H]1C1CCCC1 229958026 NBNHWAKDZXDAPD-KRWDZBQOSA-N 272.367 3.852 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)cc(C(=O)O)c1 1588799972 SZBPFNQCXIXHSF-UHFFFAOYSA-N 289.375 3.512 30 20 CHED C[C@H](Cc1cccs1)N(C)CCc1ccc(C#N)cc1 1652666285 YUUZDSXFENHBRZ-CQSZACIVSA-N 284.428 3.725 30 20 CHED COc1ccc(C#N)cc1NCc1cccc2ncccc12 1651186554 SQYHEQUDKCSHEG-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(C(=O)O)cc2)cc1 1597125711 BYIHVLANEGJWIW-UHFFFAOYSA-N 298.342 3.620 30 20 CHED CC[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)[C@@H]1CC1(C)C 1673777680 XQTIQKKKSLFPKY-KCXAZCMYSA-N 299.418 3.743 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)o2)c(C)c1 1776133222 QEKOYJSKHJLHBI-FPXDHTHPSA-N 296.322 3.890 30 20 CHED C=C(CC)CN1CCC(c2ccc(C(=O)O)cc2)CC1 1776141426 FUIZBOGNSZJOMX-UHFFFAOYSA-N 273.376 3.530 30 20 CHED CCC(C)(C)C=NNc1ccc(Cl)c(C(=O)O)c1 1776033729 YLBKMWMZWUWXSL-UHFFFAOYSA-N 268.744 3.872 30 20 CHED Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 15682871 MFYJRZLAOROMQZ-CQSZACIVSA-N 294.354 3.581 30 20 CHED COc1cc(N[C@H](C)c2ccc(C#N)cc2)cc(OC)c1 19909516 RETZJLIEWYPIHM-GFCCVEGCSA-N 282.343 3.749 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccnn2C(C)C)c1 161697492 HJBKTHLMGFVAQO-UHFFFAOYSA-N 299.374 3.671 30 20 CHED Cc1cccc(N[C@H](CCC#N)c2ccccc2)n1 158139780 PQCXZIBQEJPNGM-OAHLLOKOSA-N 251.333 3.847 30 20 CHED COc1ccc2oc(/C=C/C(=O)c3cccnc3)cc2c1 160343602 PFSSGQBVQHJWTR-GQCTYLIASA-N 279.295 3.733 30 20 CHED C#CCCCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 156033065 RQIKNXPYYOVOIO-RBUKOAKNSA-N 291.394 3.863 30 20 CHED CCN(Cc1csc(CCC(C)C)n1)C[C@H](C)C#N 157647061 HITZUNVBHATHOT-CYBMUJFWSA-N 279.453 3.713 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](N2CCCC2)CC1 157266373 HELJVMIVFKQXJN-LPHOPBHVSA-N 297.446 3.570 30 20 CHED COc1cccc(SCc2ccc(C#N)cc2OC)c1 154987918 YIPLWPZYFIMOSP-UHFFFAOYSA-N 285.368 3.868 30 20 CHED CC(C)c1cccc(OCC(=O)Nc2cccc(C#N)c2)c1 6127225 SPOHKMBVHVTADL-UHFFFAOYSA-N 294.354 3.699 30 20 CHED CCN(Cc1cccs1)c1nc(C)cc(C)c1C#N 42294170 TVPKREMBRWXTAL-UHFFFAOYSA-N 271.389 3.658 30 20 CHED N#Cc1cnc2ccccc2c1NC[C@H]1CCCCS1 156422588 HGWXHERTZJPQEF-CYBMUJFWSA-N 283.400 3.804 30 20 CHED C=CC[C@H](CC)N[C@@H](C)Cc1ccc(OC)c(OC)c1 281762531 WLBXBNNROPPFMO-ZFWWWQNUSA-N 277.408 3.579 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(F)c(F)c1 50429038 OEDUEAJFSIABOA-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCCCCCC[C@@H](C)NC1CCN(C2CC2)CC1 59474609 VHALIZBBYCVVEE-OAHLLOKOSA-N 266.473 3.952 30 20 CHED Cc1nc(N2CCC(F)(F)C[C@H]2C)c(Cl)cc1C#N 528204812 DBBOVOFKYYMJPI-MRVPVSSYSA-N 285.725 3.539 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)C1CCC1 335572170 CHORRCNLWDYUFP-SECBINFHSA-N 262.740 3.586 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)s1 361749430 DZFYPSYMXKVGRH-LLVKDONJSA-N 274.364 3.918 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 484018693 QDQKSKUFZZRAQD-OAHLLOKOSA-N 260.356 3.565 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2cccc(F)c2C#N)CCO1 487058252 DNTGMJYWECEUEC-IAQYHMDHSA-N 276.355 3.703 30 20 CHED N#Cc1ccc(NCCCCC2CCOCC2)cc1 388658653 NRWXYWAVFOQYRB-UHFFFAOYSA-N 258.365 3.567 30 20 CHED Cc1cc(F)cc(NCc2ccc(CC#N)cc2)c1 398950782 DGTRWYLMYZDSNP-UHFFFAOYSA-N 254.308 3.812 30 20 CHED CCCC(CCC)C(=O)N1CCC(CCC#N)CC1 399354349 CKXNBPUKBYHIHJ-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C=CCSCC(=O)Nc1ccccc1C(F)(F)F 6780913 RPLBBWYRUIQBFI-UHFFFAOYSA-N 275.295 3.563 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCC2(C)C)cc1 175868088 LBIFCFGWJQDUOO-BBRMVZONSA-N 272.392 3.646 30 20 CHED C=CCOc1cccc(NC(=O)NCc2ccccc2)c1 56516909 AZVKLVARXVDGAD-UHFFFAOYSA-N 282.343 3.573 30 20 CHED C=CCOc1cccc(NC(=O)N(C)Cc2ccoc2)c1 56772728 HUDOSRLJHQSCQU-UHFFFAOYSA-N 286.331 3.508 30 20 CHED CCCC1(CNc2nc(C)c(C#N)cc2Cl)CC1 310789156 UIKGDHUKBBHKJF-UHFFFAOYSA-N 263.772 3.907 30 20 CHED N#Cc1ccc(Oc2nc3cc(F)ccc3o2)cc1 114445935 CQPMCMSXIOUJBJ-UHFFFAOYSA-N 254.220 3.631 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C)cc1F 104975604 MSNHGHJOKWDOLY-UHFFFAOYSA-N 250.317 3.564 30 20 CHED CCOc1ccc(CN(C)Cc2cc(C#N)ccc2F)cc1 53899212 GDNMRISMXIQODT-UHFFFAOYSA-N 298.361 3.728 30 20 CHED C#CCCCCNC(=O)N[C@H](CCC)c1ccccc1 177457253 BQDSPGMKUPBNBD-MRXNPFEDSA-N 272.392 3.631 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cnc3c(C)cccn13)C2 172692087 WGECSJCSTZKZRD-XNTDXEJSSA-N 288.350 3.774 30 20 CHED CN(Cc1ccsc1)c1ccc(C#N)c(Cl)c1 61850859 YGSJHYXBXZRSIQ-UHFFFAOYSA-N 262.765 3.910 30 20 CHED CCCCCCCCNCc1ncc(Cl)n1C 105932172 DKLZDZPTYWKOTH-UHFFFAOYSA-N 257.809 3.524 30 20 CHED COc1ccc([C@H](C)CN(C)Cc2ccc(C#N)cc2)cc1 179683001 NOBYXAZTCAHZPU-OAHLLOKOSA-N 294.398 3.802 30 20 CHED N#CCCCN1CCC[C@@H]1Cc1ccccc1Cl 64249506 WUDNMJXHSRDKLM-CQSZACIVSA-N 262.784 3.651 30 20 CHED C/C=C(\C)C(=O)Nc1ccccc1SC[C@H](C)C#N 176032283 UPRIIBKLTKNUET-DWGGBAKOSA-N 274.389 3.843 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC=C(c2ccc(F)cc2)CC1 172079597 MMURITUAJUJSOI-CYBMUJFWSA-N 288.366 3.589 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccc(C)cc1F 177865701 MBYPUVPGCHPHNV-LLVKDONJSA-N 267.369 3.770 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)C1CCCCC1 178569675 GURPTUCEVOWPAJ-UHFFFAOYSA-N 271.364 3.663 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)C2CCCCC2)c1 302018358 GNCMACLHPGGDIR-UHFFFAOYSA-N 256.349 3.530 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[C@H](C)C1 178546369 IXDRTCOPVLNFAS-FZMZJTMJSA-N 271.364 3.567 30 20 CHED CC[C@](C)(C#N)NC(=O)c1csc(-c2ccccc2C)n1 66645211 MPYDJMOSMNJLBL-MRXNPFEDSA-N 299.399 3.541 30 20 CHED CCCCCSc1ccc(C#N)cc1[N+](=O)[O-] 301992570 NZWJJKNFANCKGD-UHFFFAOYSA-N 250.323 3.749 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@H]2C)c1 175268603 HOPFAEUEGPRBNU-CHWSQXEVSA-N 274.364 3.514 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1)COC2 179823766 RUPNKTQALMVPLG-GFCCVEGCSA-N 274.364 3.583 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1sccc1C)CO2 24358382 HQUVMZBEHWOIMC-YRNVUSSQSA-N 286.352 3.724 30 20 CHED CCOC1CC(CCNc2ccc3cc(C#N)ccc3n2)C1 302680434 OUWCBIDYZLGNFA-UHFFFAOYSA-N 295.386 3.724 30 20 CHED C=C[C@@H](CC(=O)N(CC)CC(C)C)c1ccccc1 179469607 IBRABFGXJPDLRU-HNNXBMFYSA-N 259.393 3.851 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCC(C(C)C)CC2)c1 302114067 QSJJSQPKNTWCKJ-UHFFFAOYSA-N 270.376 3.633 30 20 CHED C=CCCCCNC(=O)c1cccc(Cl)c1F 471670683 HHNMVNVCEKHZIY-UHFFFAOYSA-N 255.720 3.565 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3ccccc32)cc1F 404109866 JNQBZTXIWAFUNT-SFHVURJKSA-N 280.346 3.865 30 20 CHED C=C(C)[C@@H](NCc1ccnn1CC)c1ccc(F)c(F)c1 187374760 WWQCVCDTUVFCGY-MRXNPFEDSA-N 291.345 3.588 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 180544662 GFPCGVWKPRSELO-CQSZACIVSA-N 290.407 3.752 30 20 CHED COc1cc(/C=C2/CCc3ccc(C)cc3C2=O)ccc1O 125423983 KCRGMMDMADXJMB-GDNBJRDFSA-N 294.350 3.922 30 20 CHED C=CCOc1ccc(CNC[C@H](C)CCOC)cc1Cl 414486269 SUZXFPUHFRMXJR-CYBMUJFWSA-N 297.826 3.667 30 20 CHED CC(C)N(C)Cc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 185885507 DEEFBHLKGGPTAU-QFBILLFUSA-N 299.462 3.699 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H]1CC[C@@H](C)C1 182038341 AAVGFHAXNHTTBO-RDBSUJKOSA-N 286.375 3.742 30 20 CHED C#CCOc1ccc([C@H](C)Nc2cnn(C(C)(C)C)c2)cc1 183401083 VUZJVHYOBPQLSS-AWEZNQCLSA-N 297.402 3.823 30 20 CHED Cc1ccc(-c2ccc(CNC[C@H](C)C#N)s2)cc1 183825407 SHIYJYRAPZKQQB-CYBMUJFWSA-N 270.401 3.973 30 20 CHED CC(C)[C@H](C)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 75297954 XZXCRYMLTKCAHO-BHYGNILZSA-N 284.403 3.577 30 20 CHED C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(C#N)c(F)c1 414280806 DVHBANIRRCROGV-WDBKCZKBSA-N 264.319 3.629 30 20 CHED C#C[C@H](C)NC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 186010844 LRKUTKODGKCEDP-QWHCGFSZSA-N 290.432 3.569 30 20 CHED Cc1ccsc1CNc1ccccc1O[C@H](C)C#N 181127883 ZAYARXAXTZRCNA-GFCCVEGCSA-N 272.373 3.960 30 20 CHED CN(C(=O)NCCCCC#N)[C@H]1CCC[C@@H]1C(C)(C)C 419452278 GJMDCWVDFJTLFS-KBPBESRZSA-N 279.428 3.536 30 20 CHED C#CCOCCC(=O)Nc1c(C(C)C)cccc1C(C)C 121719368 HZHBDAIROVSCMU-UHFFFAOYSA-N 287.403 3.912 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1cccs1 182248220 XXUBMTGEGFQKCI-CMDGGOBGSA-N 274.341 3.661 30 20 CHED CCS[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F 413174444 IIOCERABXNMEDM-CHWSQXEVSA-N 279.384 3.569 30 20 CHED Cc1ccc(-c2noc(CCCC#N)n2)cc1Cl 453182409 FJJXQMBELCSERZ-UHFFFAOYSA-N 261.712 3.545 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(OCC3CC3)cc2)C1 185729214 UXRWFPXOLPLAKS-GOEBONIOSA-N 270.376 3.970 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCC[C@H](OC)C2)CCCC1(C)C 508071386 AFEPAWYEIWYSFQ-PMPSAXMXSA-N 293.451 3.785 30 20 CHED C=C[C@](C)(CCOC)C(=O)NC[C@@H](CC)c1ccccc1 188024908 HFIHBZDSQRWYOD-CRAIPNDOSA-N 289.419 3.525 30 20 CHED CC(C)(C#N)C(=O)OCc1ccc(Cl)cc1Cl 78747051 KXHYWSULRHQLBL-UHFFFAOYSA-N 272.131 3.586 30 20 CHED N#CCCCSc1nc(C2CC2)n(-c2ccccc2)n1 78585508 QEBVJZLDCWZSNJ-UHFFFAOYSA-N 284.388 3.541 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 188429884 CFZXTKQHOWYXRP-HNNXBMFYSA-N 295.766 3.667 30 20 CHED CCc1cccc(OCCN(C)Cc2ccc(C#N)cc2)c1 506129667 CBLWYMSCUWYEPW-UHFFFAOYSA-N 294.398 3.631 30 20 CHED Cc1nc(CSCC2(C#N)CCC2)sc1C 419419227 CJLJBHMXKCBRLG-UHFFFAOYSA-N 252.408 3.687 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2cccs2)cc1 49882529 IXOZMPQNUBPXGL-CQSZACIVSA-N 284.384 3.647 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(c2ncc(C#N)cc2F)C1 413287751 CENLYHVNHDBHQB-MLGOLLRUSA-N 281.334 3.680 30 20 CHED C=C(C)CNC(=O)Nc1ccc2nc(C3CC3)sc2c1 188777191 VDBRWCBHVAFPAV-UHFFFAOYSA-N 287.388 3.871 30 20 CHED CC(C)(CCC#N)CNc1nccc2ccc([N+](=O)[O-])cc12 413292210 DEFSPGGKJTZLQH-UHFFFAOYSA-N 298.346 3.885 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)NCc1cccc(C#N)c1 46039583 GAOBMPVXYXPITL-LBPRGKRZSA-N 299.399 3.522 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1ccccc1F 410144657 HZSHZGPNLWYNSH-CHWSQXEVSA-N 263.356 3.790 30 20 CHED Cc1noc(C2CC2)c1N=C(O)[C@H](C)c1ccccn1 328796371 UTPQADVYZBWABU-SECBINFHSA-N 271.320 3.647 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)NCc1cccc(C#N)c1 502225234 HRSHSZOXKQMPES-INIZCTEOSA-N 284.403 3.781 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CCc2cc(F)cc(C)c2C1 501222658 VPTYHVZATRUBJW-CYBMUJFWSA-N 275.367 3.621 30 20 CHED CC1(C)C[C@H](/N=C(/O)[C@H]2CCCC(O)=N2)c2ccccc21 328811065 OMJZVXPISVJMJD-KGLIPLIRSA-N 286.375 3.875 30 20 CHED CC(C)CN(CCCSCC#N)CC(C)(C)C 134447651 BCCVNCDTOUAFJG-UHFFFAOYSA-N 256.459 3.637 30 20 CHED Cc1ccccc1OC(=O)C(C)(C)Oc1ccc(C#N)cc1 130510635 INVXOTGJFGPNFW-UHFFFAOYSA-N 295.338 3.630 30 20 CHED CCCN(CCc1cccc(F)c1)c1cc(C#N)ccn1 517192447 JRSOTAIUHLOEKJ-UHFFFAOYSA-N 283.350 3.551 30 20 CHED C[C@H]1/C(=C\c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 220271011 IKMYTOYHMCWWIT-HGLKBHAMSA-N 279.295 3.978 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 511897602 UEFOEYZZNSKZCQ-ZACQAIPSSA-N 266.388 3.558 30 20 CHED CCc1ccc(CN(Cc2cc(C#N)n(C)c2)C2CC2)cc1 191224540 GVIGSQUWBWBLDM-UHFFFAOYSA-N 293.414 3.624 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](C)Cc1cccs1 424680687 FGUQXGBCYBEJSI-LBPRGKRZSA-N 265.422 3.645 30 20 CHED C[C@@H]1CCCN(c2nc(-c3ccc(C#N)cc3)cs2)C1 193757954 FETJLKDEZOBGDV-GFCCVEGCSA-N 283.400 3.918 30 20 CHED C[C@H](SCc1nc(C2CC2)n[nH]1)c1cccc(C#N)c1 193730081 ZLCUQRXTWKPHDX-JTQLQIEISA-N 284.388 3.548 30 20 CHED N#Cc1ccc(CNCCCn2ccc3ccccc32)s1 135669111 MAWIRUHMANJYFY-UHFFFAOYSA-N 295.411 3.754 30 20 CHED COc1ccc2c(c1)[C@H](NCCCCC#N)CCS2 191509176 YYZGCSYPMBEYPO-CQSZACIVSA-N 276.405 3.516 30 20 CHED Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c(C)c1 80837644 XXUZJURARWAUQV-DLBZAZTESA-N 290.366 3.917 30 20 CHED C=CCC[C@H](O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 511843601 KFDUMPMCJTUIIF-MANSERQUSA-N 285.431 3.582 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCC1(C#N)CCC1 332496613 VEVRCHUVPUHIDQ-ZIAGYGMSSA-N 291.439 3.536 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[C@H](SCC)C1 424704715 XGNQKYFMBREAEH-OLZOCXBDSA-N 269.454 3.721 30 20 CHED C[C@@H](SCCCC#N)c1nc(-c2cccs2)no1 190911816 NRNACUZJSPLOBU-SECBINFHSA-N 279.390 3.896 30 20 CHED N#CCCC1CCN(C(=O)Nc2ccsc2Cl)CC1 335420970 BBKAVGCTPYGIHX-UHFFFAOYSA-N 297.811 3.949 30 20 CHED CC(C)CC[C@@H](/N=C(/O)c1cnc[nH]1)C(C)(C)C 330791335 AMVVJBHTVFMRSI-GFCCVEGCSA-N 251.374 3.565 30 20 CHED C=CCCCCCN(C)C(=O)C[C@@H]1CCO[C@H](CC)C1 514185808 KZHXSUKSZNDZBY-HZPDHXFCSA-N 281.440 3.787 30 20 CHED C=CCC(C)(C)c1nc(COc2ccccc2C)no1 426454334 OQIMLYDYWWYZPA-UHFFFAOYSA-N 272.348 3.811 30 20 CHED CC(C)c1ccc(CCNC(=O)C2(C#N)CCCC2)cc1 198404529 TXMMGONOTNAQDW-UHFFFAOYSA-N 284.403 3.553 30 20 CHED CN(CC1CCCCC1)C(=O)Nc1ccc(F)cc1C#N 193632098 DWKCRHBJXFYCSO-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@H](CC(C)C)C1 424724581 SCPVAGDMZJVBNB-CQSZACIVSA-N 251.414 3.873 30 20 CHED C=C1CCN(C(=O)[C@H](CC)Cc2ccccc2C)CC1 424648693 LZANKKZUTWDAQN-MRXNPFEDSA-N 271.404 3.742 30 20 CHED N#CC1CCN(Cc2csc(Nc3ccccc3)n2)CC1 141994046 YQPHBVYSRLATKT-UHFFFAOYSA-N 298.415 3.622 30 20 CHED C=CC[C@@H]1N(Cc2ccc(OC)cn2)CCCC1(C)C 338380405 XVXSRNMDTSSWKY-INIZCTEOSA-N 274.408 3.657 30 20 CHED C=CCN(C(=O)c1cc(C)n([C@H](C)CC)n1)c1ccccc1 517254211 PYGRKKKAAFWNCU-CQSZACIVSA-N 297.402 3.995 30 20 CHED COCc1ccc(Sc2snc(Cl)c2C#N)cc1 92663962 JMLJYKMACQDHCO-UHFFFAOYSA-N 296.804 3.966 30 20 CHED C[C@H](/N=C(/O)C[C@H]1CCOC1)c1ccc2ncsc2c1 330138211 OGIMDYNMKMXHJV-WDEREUQCSA-N 290.388 3.740 30 20 CHED C=CC[C@H](C)N[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 338777416 ZQHYJPJXMSOOKQ-IAOVAPTHSA-N 287.403 3.722 30 20 CHED C=CCSCCNC/C(C)=C/c1ccccc1COC 510889106 ZTOCPAOXRRZISQ-NTCAYCPXSA-N 291.460 3.745 30 20 CHED CC(C)(C)c1cc(NC(=O)C=C2CCC2)c(C#N)s1 91208254 HOEDXXYULVDGLW-UHFFFAOYSA-N 274.389 3.966 30 20 CHED Cc1cccc(N/C(O)=N/C[C@@H]2CCO[C@@H]2C(C)C)c1F 330660239 BJMIHNQZLPELBT-SWLSCSKDSA-N 294.370 3.521 30 20 CHED Cc1cnccc1SCc1cccc(F)c1C#N 338622142 BHBHQVAHILCAJG-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1c(Cl)ccc2c1CCO2 439419775 XRKSEGQUQGYYQH-SNVBAGLBSA-N 294.782 3.751 30 20 CHED Cc1ccc(-c2ccncc2)cc1NC(=O)[C@]1(C#N)C[C@@H]1C 334519015 VTHWCLYGYVNMTN-UGSOOPFHSA-N 291.354 3.545 30 20 CHED C=C[C@@H](CC(=O)Nc1cc2c(cn1)CCC2)c1ccccc1 520448281 AOUZYZWETJUODH-AWEZNQCLSA-N 292.382 3.869 30 20 CHED N#CCC1(CNCc2c(Cl)oc3ccccc23)CC1 430047840 UEWLAYCJESOHND-UHFFFAOYSA-N 274.751 3.870 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(C(C)C)cc1 435749381 SZDNZITVWDKJSQ-MSOLQXFVSA-N 273.420 3.881 30 20 CHED C=C(C)[C@H](N[C@H](C)[C@H]1CCOC1)c1ccc(F)c(F)c1 248588733 YRMXJAVWXVCBMV-FFSVYQOJSA-N 281.346 3.597 30 20 CHED CC(C)(C#N)CCSCCC(=O)Nc1ccccc1 342012453 FKDICJKNQYGWAD-UHFFFAOYSA-N 276.405 3.688 30 20 CHED C=CCOc1cccc(NC(=O)c2cccnc2C2CC2)c1 342566761 LTDWTUWQTNCIAZ-UHFFFAOYSA-N 294.354 3.776 30 20 CHED N#CC1(N(C(=O)[C@@H]2CCCc3ccccc32)C2CC2)CCC1 341625078 YEYYGJBGUDEWSW-QGZVFWFLSA-N 294.398 3.544 30 20 CHED CC[C@@H](C#N)Nc1cccc2c1CN([C@H](C)C(C)C)C2 249117486 OQFBZYXVCSTHSV-HIFRSBDPSA-N 271.408 3.761 30 20 CHED CCc1ccc(CCN(C)Cc2ccc(C#N)cc2)cc1 609671836 UVBTZFWKMLARRL-UHFFFAOYSA-N 278.399 3.795 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1Cl)C1CCOCC1 439452312 NVCJPDWADSMBCT-INIZCTEOSA-N 292.810 3.506 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)cc1 609033806 JKVNEGHEBZJRSU-GOSISDBHSA-N 292.382 3.699 30 20 CHED N#CCCCNC(=O)CC1CCC(c2ccccc2)CC1 342648525 JTWWXAJSHLPMDI-UHFFFAOYSA-N 284.403 3.770 30 20 CHED FC(F)Oc1ccc(CON=Cc2cccs2)cc1 254965155 DRERYULUPSOHOB-UHFFFAOYSA-N 283.299 3.900 30 20 CHED Cc1cc(NCc2cc(-c3ccccc3)on2)cc(C#N)n1 342097628 QGBFAYZCOVZUAZ-UHFFFAOYSA-N 290.326 3.529 30 20 CHED Cc1cc(NN=C2CCCCc3ccccc32)nc(C)n1 606442226 HKYCBAOXDOJVGQ-UHFFFAOYSA-N 280.375 3.636 30 20 CHED C=CCOc1cccnc1C(=O)Nc1ccc2ccoc2c1 343956024 BIDXTFNEVWUQPA-UHFFFAOYSA-N 294.310 3.645 30 20 CHED Cc1ccc(SCCNc2snc(C)c2C#N)cc1 341351991 VMVAJFGBCVPMFC-UHFFFAOYSA-N 289.429 3.836 30 20 CHED CCC[C@H](C#N)NC(=O)CSc1ccc(C(C)C)cc1 608815937 ADWSLRISWRAHND-CQSZACIVSA-N 290.432 3.711 30 20 CHED C=CCC(F)(F)c1nc(C(C)(C)c2cc(C)ccn2)no1 528262854 RQFMDBZNJUCPDC-UHFFFAOYSA-N 293.317 3.767 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccncc1F 340308579 JAIPPZHAXJHHGM-CXAGYDPISA-N 283.350 3.916 30 20 CHED COc1cc(NC[C@H](C)CCC#N)ccc1Br 602491406 GCCNCDSJVSWCEU-SNVBAGLBSA-N 297.196 3.809 30 20 CHED N#C[C@@H](SCc1cccc(OC(F)F)c1)C1CC1 601078679 OPIGWJSQDYPYQY-GFCCVEGCSA-N 269.316 3.823 30 20 CHED CCC1(CNc2c(Cl)cccc2C#N)CCOCC1 342025229 XXGFFOGLLBDWME-UHFFFAOYSA-N 278.783 3.830 30 20 CHED CCOc1cccc(/C=N\Cc2ccccc2COC)c1O 255218447 HDPHNWOVKNPYMV-UNOMPAQXSA-N 299.370 3.556 30 20 CHED Cc1c(CON=Cc2ccc(F)cc2)cccc1[N+](=O)[O-] 255830006 GDMGJBOHGAKEKX-UHFFFAOYSA-N 288.278 3.593 30 20 CHED CCN(CC)c1ccc(/C=N\C2CCSCC2)c(O)c1 255423936 BVTKEPTWESGARW-ATVHPVEESA-N 292.448 3.553 30 20 CHED N#Cc1cc(Cl)ccc1SCCOCC(F)(F)F 601911564 KHTLOZHOPVYCHP-UHFFFAOYSA-N 295.713 3.883 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(Cl)sc1Cl 449022341 IDYNHYMGTZQHTN-ZETCQYMHSA-N 263.193 3.789 30 20 CHED C/C(=C\c1ccccc1)CN(CC#N)C1CCCC1 255711883 ZCQCDEQYRXRAEP-FYWRMAATSA-N 254.377 3.858 30 20 CHED CCc1cc(C#N)c(NC(=O)C2CCC=CCC2)s1 602247001 MPXOKQBBQDEPLD-UHFFFAOYSA-N 274.389 3.867 30 20 CHED CC(C)CC1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 441293805 MTSIRJYYZBVSGZ-CQSZACIVSA-N 290.794 3.847 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)NCC1CCC(c2ccccc2)CC1 448935588 AOGLKJZQLXSRNX-PHZSVIKTSA-N 296.414 3.626 30 20 CHED Cc1cccc(C(=O)/C=C\c2cnc3ccccn23)c1 255773969 PRZGAQDRXPCEET-HJWRWDBZSA-N 262.312 3.539 30 20 CHED C=CCC1(C(=O)NCc2cc(F)ccc2SC)CCC1 359377883 NBKDNTIVYCBDKC-UHFFFAOYSA-N 293.407 3.910 30 20 CHED COc1ccc([C@H]2CCCN2CC2(CC#N)CC2)cc1F 602889037 QBCFWQLVGIBWDT-OAHLLOKOSA-N 288.366 3.665 30 20 CHED C=CCCCCCn1cnc2ccc(Cl)cc2c1=O 447298975 MNGSXUZZLQMYOU-UHFFFAOYSA-N 276.767 3.796 30 20 CHED C=CCCCN1CCC[C@H](Oc2ccccc2OC)C1 353261629 BVYFKBILPYXMIK-HNNXBMFYSA-N 275.392 3.505 30 20 CHED C=CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC1 536822400 RIZJADIJIBHLSB-UHFFFAOYSA-N 284.186 3.713 30 20 CHED CC[C@H](CC(=O)N(C)c1ccccc1C#N)C(C)C 269857514 QUJYJNCQTQCBEV-CYBMUJFWSA-N 258.365 3.593 30 20 CHED C[C@H](CN(C)C(=O)c1cccc(C#N)c1)C1CCCCC1 530041648 LWFHDZHVDCRHAX-CQSZACIVSA-N 284.403 3.847 30 20 CHED C=CCCC1(C(=O)Nc2cnn(CC(C)C)c2C)CC1 356609707 NZQWLUZMYZBTJG-UHFFFAOYSA-N 275.396 3.532 30 20 CHED CCCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1C#N 601911509 JZROADACMUVHRQ-SNVBAGLBSA-N 296.823 3.609 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 448947188 VIIAKPJPWLGNGO-AOIWGVFYSA-N 298.430 3.844 30 20 CHED CC(C)(C)c1ccnc(N2CCC[C@@H](CC#N)C2)c1 603403018 FYZQWPVDMJMVPI-ZDUSSCGKSA-N 257.381 3.509 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1OC(C)(C)C 604907372 CVRLVWXSOSDMOS-LBPRGKRZSA-N 276.380 3.950 30 20 CHED C[C@H]1C[C@H](CNc2ccc(C(F)(F)F)cc2C#N)CCO1 356789872 GMARUBZILOBIBH-WDEREUQCSA-N 298.308 3.804 30 20 CHED C=CCC1(C(=O)N2CC=C(c3ccc(C)nc3)CC2)CCC1 359908067 HWDSALDLYHXBQR-UHFFFAOYSA-N 296.414 3.752 30 20 CHED CC(C)[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)CS1 617099848 DHGMGIMQDZPQEJ-RCBQFDQVSA-N 274.433 3.739 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(Cl)cc1 538285932 MNXICJVPYASDNE-GFCCVEGCSA-N 280.799 3.884 30 20 CHED C=C(C)CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 352814972 KPKDZCIMLLPUSJ-CQSZACIVSA-N 288.218 3.973 30 20 CHED CCC(CC)CN(CCC#N)Cc1n[nH]c2ccccc12 611268797 BQERRZPMJWXURU-UHFFFAOYSA-N 284.407 3.715 30 20 CHED N#C[C@H]1CCC[C@H](NCCOc2ccc(F)c(Cl)c2)C1 449399574 BTXZOCVPOKBYPL-RYUDHWBXSA-N 296.773 3.530 30 20 CHED CC(C)(C)Oc1ccccc1N[C@@H]1CC[C@@H](C#N)C1 442851467 DYIIXLPJOLTZPC-CHWSQXEVSA-N 258.365 3.968 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 617615384 JZCVMRUQQVXHFP-IAGOWNOFSA-N 265.356 3.636 30 20 CHED N#Cc1ccc(CNCc2ccc(F)cc2)cc1Cl 619748276 FZKAOORAPDVYNV-UHFFFAOYSA-N 274.726 3.641 30 20 CHED CCC[C@](C)(CC)C(=O)N[C@H]1CCc2cc(C#N)ccc21 619450137 LBIHHUVPLCZGNY-WMZOPIPTSA-N 284.403 3.878 30 20 CHED CC(C)N(CC1CCC1)C(=O)N[C@H](C)c1cccc(C#N)c1 618391688 VKGPLIUVLORTHO-CQSZACIVSA-N 299.418 3.839 30 20 CHED C=C(C)CCc1noc(-c2csc(C(C)C)n2)n1 351610528 ZGWQFXCFZRBUIG-UHFFFAOYSA-N 263.366 3.825 30 20 CHED CC[C@H](C)CN(CC)C(=O)c1cc2ccccc2n1CC#N 610497291 YYVXBDRBTFXEJS-AWEZNQCLSA-N 297.402 3.673 30 20 CHED CCCC[C@@H](CC)CC(=O)N1CCC[C@](C)(C#N)C1 612371401 LFPWLEDGEUOOKA-GDBMZVCRSA-N 264.413 3.745 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(OCC(C)C)cc1 537097189 DCJKDASAWCBWTB-JKSUJKDBSA-N 291.435 3.557 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](c2ccccc2)C2CC2)c1 456956367 DAMRHPCBTWIPCS-GOSISDBHSA-N 290.366 3.999 30 20 CHED CCC[C@H](NC(=O)Cc1c(F)cccc1C#N)C(C)(C)C 452662493 AMEVKIRPGRUKHM-HNNXBMFYSA-N 290.382 3.571 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)c2ccccc2)C1 617779954 LMKDBTYCRVSRLM-CABCVRRESA-N 257.377 3.605 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(Cc3cccc(F)c3)CC2)C1 278580640 KDLPHDJWJGQKPV-FUHWJXTLSA-N 286.394 3.772 30 20 CHED C=C[C@H](CC(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 362165184 MXKAOSBPAJXJOL-PVAVHDDUSA-N 269.388 3.890 30 20 CHED C[C@@H](CNCC(C)(C)CC#N)c1cccc(Cl)c1 459737802 WVZKCCXGFPCNQF-LBPRGKRZSA-N 264.800 3.973 30 20 CHED CC[C@@H](OC(=O)CC(C)(C)C#N)c1cccc(OC)c1 278701254 IIZGRASACSSTIG-CQSZACIVSA-N 275.348 3.629 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 455371882 TWIYTLXTDUSDTD-HIFRSBDPSA-N 272.392 3.601 30 20 CHED C=CCC[C@H](C)NC[C@@H]1SCCc2ccccc21 542704761 ISLKVDSJBZVPJY-BBRMVZONSA-N 261.434 3.961 30 20 CHED C=C1CCN(C(=O)c2coc3cc(C)c(C)cc23)CC1 274832493 RLQDXBHDDYSSCB-UHFFFAOYSA-N 269.344 3.842 30 20 CHED CCc1ccc(-c2noc([C@H](C)NCCCCC#N)n2)cc1 273283381 HDTALBBRYQTAPO-ZDUSSCGKSA-N 298.390 3.643 30 20 CHED Cc1cc(CCCC(=O)NCC(C)(C)CC#N)c(C)s1 457997267 VGDKUEJVZBGPKS-UHFFFAOYSA-N 292.448 3.744 30 20 CHED C[C@@H](CCCC(F)(F)F)NCC(C)(C)CC#N 459730376 LUFIFGFNUYUTQS-JTQLQIEISA-N 250.308 3.637 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(F)cc2C)no1 274080932 XOJLLLFVQSZNRS-LLVKDONJSA-N 276.311 3.838 30 20 CHED C=CC(C)(C)c1nc(CCCc2ccccc2)no1 453015557 AWTPRVAFWUNYGX-UHFFFAOYSA-N 256.349 3.709 30 20 CHED C=C1CCN(C(=O)c2ccccc2CSCC)CC1 279338260 YVLDBNPRAXCYBL-UHFFFAOYSA-N 275.417 3.732 30 20 CHED C=C(C)CCN1CCC(C(=O)c2cc(F)ccc2F)CC1 274776084 OAMGEDOKLVWWFA-UHFFFAOYSA-N 293.357 3.826 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1Cl 540533152 UYTYZYUPDBRXRJ-STQMWFEESA-N 295.810 3.968 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(Cl)c1OC 276188641 WMSOLALDEFQZRY-AWEZNQCLSA-N 267.756 3.889 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)c1ccccc1 468008395 AAPRCHSYMCZCTR-WMLDXEAASA-N 259.393 3.851 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1cccc(C#N)c1 546868414 LMFNDGIZNFBCBA-CQSZACIVSA-N 278.355 3.666 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 466328060 QIIFGUSPTYDXSM-BYNSBNAKSA-N 264.413 3.561 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CCC1(C)C)c1ccccc1 286688105 KSGRGZJZSOUNAQ-HIFRSBDPSA-N 257.377 3.651 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 460956891 JHCFZKAZKSFZLY-HUUCEWRRSA-N 290.455 3.678 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(N2CCCC2)c1 282161465 DJTBTPGMFXROLL-UXLLHSPISA-N 283.419 3.630 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)Cc2ccccc21 467529744 PMLKVRSIPPBOAX-AWEZNQCLSA-N 269.388 3.980 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(CC)s1 280795777 KACKKGORAUZJTF-IOASZLSFSA-N 279.449 3.942 30 20 CHED C=CCC[C@H](NCC1(SC)CCOCC1)c1ccco1 286218194 SERRJZNMADGJCD-AWEZNQCLSA-N 295.448 3.789 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 465110634 QPDINAKYXSLLHL-KPXOXKRLSA-N 284.186 3.788 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(N3CCCC3)cc2)no1 289113149 MASCXFYFUUBICW-UHFFFAOYSA-N 295.386 3.638 30 20 CHED Cc1noc(C)c1[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 387590925 FYBIMIQMSMEION-YAJMATIESA-N 295.386 3.566 30 20 CHED Cc1nc(N2CCC(c3ccsc3)CC2)ccc1C#N 291930088 MCKJUPOFQWFMAS-UHFFFAOYSA-N 283.400 3.707 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cc(Cl)cc(C)c1O 808707336 MBOZZLCQBXRQIW-QWRGUYRKSA-N 253.773 3.969 30 20 CHED C[C@H](C(=O)Nc1ccccc1SCCC#N)C(C)(F)F 293341295 IVNISLDBFFGSSU-SNVBAGLBSA-N 298.358 3.922 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 291039788 UQMCSFAVNXSAMS-CQSZACIVSA-N 297.830 3.670 30 20 CHED C[C@@H](SCC#N)c1cccc(Br)c1 291663885 PDUMQCPVHBWSAS-MRVPVSSYSA-N 256.168 3.767 30 20 CHED C=CCCCCCOc1ccc(/C=C\C(=O)O)cc1OC 384983728 WAKSNVLNODPRFL-LUAWRHEFSA-N 290.359 3.918 30 20 CHED C#Cc1ccc(CNc2cnn(CC(C)C)c2CC)cc1 809629697 BSPZUUIWPVIDCO-UHFFFAOYSA-N 281.403 3.695 30 20 CHED N#Cc1cc(N[C@@H]2CC23CCOCC3)ccc1C(F)(F)F 387221184 ZQFGQHHNJXAJFP-CYBMUJFWSA-N 296.292 3.558 30 20 CHED C=CCCCOc1ccc(F)cc1-c1ccnn1C 478811722 IPMCKJVQTVQBSC-UHFFFAOYSA-N 260.312 3.571 30 20 CHED CC[C@H](C)C(=O)N(Cc1ccco1)c1ccccc1C#N 298410727 XMQMNOHFUBKAOA-ZDUSSCGKSA-N 282.343 3.731 30 20 CHED CC(=NOCCOC1CCC1)c1cc2ccccc2o1 808245567 PABSAZFKFSUTMO-UHFFFAOYSA-N 273.332 3.743 30 20 CHED CC(C)=CCC[C@H](C)CC=NN[C@@H]1CCSC1 808001129 GHIVMNWANNBUBG-UONOGXRCSA-N 254.443 3.840 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@H]1C=CCC1 470638018 SVYADEXMVVURES-INIZCTEOSA-N 269.388 3.948 30 20 CHED N#CCCN(Cc1ccnc(Cl)c1Cl)CC1CC1 290464327 PRWJJCLTZVCKOV-UHFFFAOYSA-N 284.190 3.514 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCCc1ccc(Cl)cc1 803784812 HEAZMJDZQFQRHW-HNNXBMFYSA-N 279.767 3.756 30 20 CHED C[C@H]1CC[C@@H](C=NNc2ncccc2C(F)(F)F)C1 800809989 DCGGJNISYSOBQF-VHSXEESVSA-N 271.286 3.934 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)NC1(c2cccc(C#N)c2)CC1 560842996 FWWJPRZKSVKLLH-ZBFHGGJFSA-N 296.414 3.880 30 20 CHED C=CCCCCCCNC(=O)c1sc(C)nc1C 805221587 RCPOCHVQOOXUKD-UHFFFAOYSA-N 266.410 3.626 30 20 CHED C[C@@H](C#N)OCCS[C@@H]1CCCc2ccccc21 801657451 KPSVKRXKGHGZHV-SWLSCSKDSA-N 261.390 3.726 30 20 CHED C=CCCCCCCNC(=O)c1occ2c1CCC2 805221588 RECVZCONWJQNDS-UHFFFAOYSA-N 261.365 3.635 30 20 CHED CCc1ccc(NC(=O)N2CCC(CCC#N)CC2)cc1 566186331 DBVWFONKNALRAR-UHFFFAOYSA-N 285.391 3.797 30 20 CHED C=CCc1cc(CN(CC)C2CCCC2)cc(OC)c1O 564593290 KWULWKWFJUIOJX-UHFFFAOYSA-N 289.419 3.894 30 20 CHED CCCc1cccc(/C=C/C(=O)c2ccnc(O)c2)c1 806554606 BTMIJSWEKBDHDB-BQYQJAHWSA-N 267.328 3.636 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2C[C@H]2C2CC2)CCCC1(C)C 470299917 SWOWPOYIZPYGDA-KKUMJFAQSA-N 261.409 3.626 30 20 CHED CC#CCCCC(=O)Nc1cc(C)n(C2CCCCC2)n1 290967272 SNHQZLHPVJYVFA-UHFFFAOYSA-N 287.407 3.829 30 20 CHED N#Cc1ccnc(N[C@H]2CC3(CCC3)Oc3ccccc32)c1 804546497 ORHJENNZUPMQRE-HNNXBMFYSA-N 291.354 3.812 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(OCCCC)cc1C 806225761 WFQKIZQPGZRCLQ-AWEZNQCLSA-N 288.391 3.707 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1CC#N 561798691 FVCKWESEWUGGJQ-DZGCQCFKSA-N 270.376 3.908 30 20 CHED C[C@H](NCCO[C@H](C)C#N)c1cc(Cl)ccc1Cl 801937257 ILPOEJXSYOFZTC-ZJUUUORDSA-N 287.190 3.573 30 20 CHED C=CCC(F)(F)C(=O)OCC[C@H](C)OCc1ccccc1 815314233 KZJRDXGFKPJOKH-ZDUSSCGKSA-N 298.329 3.736 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)c(C)c2)cc1O 811698868 VTLKNVAQVGFFCQ-QPJJXVBHSA-N 286.302 3.744 30 20 CHED Cc1ccccc1[C@@H](NC[C@@H](C#N)CCC#N)C(C)C 564853744 GCRSEXIELYJJDU-WBVHZDCISA-N 269.392 3.725 30 20 CHED COc1cc(Cl)cc(C(=O)OCCCC(C)(C)C#N)c1 815458987 MWYKMJNKZHCXMQ-UHFFFAOYSA-N 295.766 3.835 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](OC(C)C)c1ccccc1 489961983 ACBSJZRGQRKXNA-MRXNPFEDSA-N 289.419 3.871 30 20 CHED CC(=NNc1cccc(F)c1)c1cc(F)c(N)c(F)c1 814815271 RQYQTICUJQMHQE-UHFFFAOYSA-N 279.265 3.522 30 20 CHED Clc1ccc(C2CC(=NNC[C@H]3CCSC3)C2)cc1 811661270 HXDNYBLSBDWLLU-JTDNENJMSA-N 294.851 3.916 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccccc1C#N 814850019 UOQURAXMTAKTPI-UHFFFAOYSA-N 289.260 3.812 30 20 CHED N#Cc1c(F)cccc1CSc1ccccc1O 488224858 TUIXYSBMLZWUMD-UHFFFAOYSA-N 259.305 3.695 30 20 CHED CC(=NOC1CCC1)c1cc(Br)ccc1F 812235089 LAPYPPDCGKLUQF-UHFFFAOYSA-N 286.144 3.881 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc2c(cnn2C(C)C)c1 489482597 OGEHTFQVNDZDAC-INIZCTEOSA-N 284.407 3.553 30 20 CHED C#C[C@H](NCc1ccc(COC)cc1)c1ccc(Cl)cc1 811516514 NZJOEJMXFQHWNC-SFHVURJKSA-N 299.801 3.951 30 20 CHED CC#CCNC(=O)Nc1cccc(-c2cccs2)c1 483897409 RKNYXAMDSAEYPG-UHFFFAOYSA-N 270.357 3.560 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2ccc(F)cc2C)no1 574265758 OVADTXHEDGCQOY-LBPRGKRZSA-N 290.338 3.762 30 20 CHED COc1cccc(C(C)=NNc2ccccc2F)c1 812459107 QZOFDBKAKQQPAE-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C=CCCCS(=O)(=O)N1CCCCCc2ccccc21 489612352 RMXFWYARRJDMCN-UHFFFAOYSA-N 293.432 3.515 30 20 CHED CCCCN(C(=O)c1ccc(C#N)o1)[C@@H]1CCC[C@@H](C)C1 818802322 MAVYYZZWICFOFJ-ZIAGYGMSSA-N 288.391 3.972 30 20 CHED C#Cc1cccc(N(C)C(=O)CC(C)(C)c2ccccc2)c1 728481465 AMSKFDWTOIWHQF-UHFFFAOYSA-N 291.394 3.999 30 20 CHED N#Cc1cccc(OCCCc2cccc(F)c2)c1 483968743 CZBDFTPXQVCQRQ-UHFFFAOYSA-N 255.292 3.709 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@H]1c1ccccc1 572048506 GBKBDDOUDITUCE-INIZCTEOSA-N 296.418 3.929 30 20 CHED C#C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 811516543 OZHIVLHIWKKULY-KRWDZBQOSA-N 297.785 3.739 30 20 CHED CC1CC(C#N)(C(=O)OCc2cc(Cl)cc(Cl)c2)C1 811153275 ZPJOQRHACLRJJM-UHFFFAOYSA-N 298.169 3.976 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)[C@@]2(C#N)CC23CCCC3)c1 572233275 RYJDJGMYZNKRPP-KXBFYZLASA-N 296.414 3.689 30 20 CHED CC(Cc1ccsc1)=NNCc1ccc(F)c(F)c1 729637692 QMZXEBFIMUVSFQ-UHFFFAOYSA-N 280.343 3.735 30 20 CHED C=CCc1ccccc1OC(=O)c1cc(C)cc2c[nH]nc12 726729902 SPWIPCCPYLGIMQ-UHFFFAOYSA-N 292.338 3.819 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1OC(C)C 493342979 ARBVDYUHJOHSBC-NSHDSACASA-N 280.343 3.699 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc(O)c(F)c1 728427616 GLDBFRNAAXETOO-UHFFFAOYSA-N 272.323 3.984 30 20 CHED CN(CC(C)(C)C#N)C(=O)CCCc1ccc(Cl)cc1 497349494 DPMUCOUMEYSAIF-UHFFFAOYSA-N 292.810 3.671 30 20 CHED C=CCN(Cc1ccc(C(=O)OC)c(Cl)c1)C(C)C 827437830 BQMCRFIYTSTCPP-UHFFFAOYSA-N 281.783 3.523 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2cccc(C#N)n2)CCCC1(C)C 570513445 YHKMBWUVHHRIGM-AWEZNQCLSA-N 298.390 3.552 30 20 CHED C=C(C)Cn1c(C)nnc1N1CC[C@@H](C2CCCCC2)C1 669303544 JWVBFYFTZXRHLS-MRXNPFEDSA-N 288.439 3.569 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2cccc(O)c2)CCCC1 825436910 FWNFQLSHFQSVGJ-CYBMUJFWSA-N 273.376 3.501 30 20 CHED C=CCOc1ccccc1C(=O)N1CCc2cccc(F)c21 492769044 JQEWJEUDTPSPIV-UHFFFAOYSA-N 297.329 3.593 30 20 CHED C=CCC(C)(C)C(=O)Oc1cccc(NC(=O)OCC)c1 496377483 DBVQMPDYNSWBAK-UHFFFAOYSA-N 291.347 3.763 30 20 CHED Cc1cc(CON=Cc2ccc(C(C)(C)C)cc2)no1 727437203 GUDPTOOQVZVILK-UHFFFAOYSA-N 272.348 3.831 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C\c1c(O)cccc1OC 727781446 NPLPORYDTVGSTB-CCNLRRDASA-N 283.371 3.841 30 20 CHED C=CCCCC[C@@H](C)NC[C@](C)(O)c1ccccc1 823875493 CEJUKLSHLHOOLU-WBVHZDCISA-N 261.409 3.619 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc3ccccc3c2O)C1 826861387 FQIGDVYGISNSKU-AWEZNQCLSA-N 280.371 3.671 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)cn1 728811386 WEYFKYJNDOMKTH-GFCCVEGCSA-N 298.773 3.550 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(O)c1Br 908709447 KZQUDHUZQQDDEZ-CYBMUJFWSA-N 298.180 3.696 30 20 CHED C=CC[C@H]1N(Cc2cc(C)nc(C)n2)CCCC1(C)C 660423759 VWFPNKPXAOZWPF-MRXNPFEDSA-N 273.424 3.660 30 20 CHED Cc1c(C(=O)N2CC[C@@H]2C(C)C)sc2ccc(C#N)cc12 497909086 IJGYGWDWMJQVGH-CQSZACIVSA-N 298.411 3.952 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cccc(CCC(F)(F)F)c1 491622178 GSRQGZYGUNNUAO-NSHDSACASA-N 298.308 3.667 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](c1ccccc1)C1CC1 494238854 UGAVOZFAUPJSLD-IRXDYDNUSA-N 284.403 3.888 30 20 CHED C[C@@]1(CCOC(=O)c2cccc(F)c2C#N)C[C@]1(F)Cl 822049525 PUNBSWJIWGKFGW-ZIAGYGMSSA-N 299.704 3.559 30 20 CHED C#CCN(C(=O)c1ccc(C)c(Cl)c1Cl)C1CC1 828533945 SCDLTLGNPIUFEY-UHFFFAOYSA-N 282.170 3.540 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(O)cc1 734302742 MMEZFVGNYUIOPK-UHFFFAOYSA-N 280.249 3.646 30 20 CHED C=C(C)CNC(=O)Nc1ccc(-c2ccco2)cc1F 490563107 ZQZPPBYQOLLRSX-UHFFFAOYSA-N 274.295 3.783 30 20 CHED C#CCCCCCCOC(=O)c1oc(CCC)nc1C 835713248 PJOAKJYYEYUKGW-UHFFFAOYSA-N 277.364 3.676 30 20 CHED N#CCC[C@H](C#N)CN[C@H]1C[C@H](c2ccc(Cl)cc2)C1 580685597 FVSIDMWTRJRYBY-XNRPHZJLSA-N 287.794 3.619 30 20 CHED C=C(Cl)CSCc1ccc(C(=O)O)cc1F 833370594 PSTMNJIUCDSHAU-UHFFFAOYSA-N 260.717 3.510 30 20 CHED C[C@H](N[C@@H]1CCCc2scnc21)c1ccc(C#N)cc1 599025077 YWNMNJIROQVXDW-SMDDNHRTSA-N 283.400 3.743 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCC(C)(F)F 665666995 LWPJIJZJUDWVFM-CQSZACIVSA-N 281.346 3.725 30 20 CHED CCC(=NN[C@H]1CCc2c(F)cccc21)C1CCOCC1 835021479 WWKSJLQFKULYAE-KRWDZBQOSA-N 290.382 3.595 30 20 CHED CC1(C)CC[C@H](CSc2cccc(F)c2C#N)O1 584793253 RHKLZSUAYMCCBG-SNVBAGLBSA-N 265.353 3.747 30 20 CHED CCCCCCCC(=O)OCc1c(C)nn(C)c1Cl 731709410 GRHBFJNVPGGXEF-UHFFFAOYSA-N 286.803 3.786 30 20 CHED CC[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(C)cc1 837312273 ASVOHUAUVHDYJJ-OAHLLOKOSA-N 257.377 3.612 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1nc(C)c(C)[nH]1)CC2 901486472 IZPSVNMLYRYOBO-NTEUORMPSA-N 266.344 3.547 30 20 CHED CCN(C(=O)C#CC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 837361301 ZHKBWBGHZZNSQY-AWEZNQCLSA-N 282.387 3.517 30 20 CHED C=CCC[C@@H](NC/C=C\c1c(C)cc(C)cc1C)C(=O)O 901689658 HBGHNCKMSNOAOF-ZPUOCTKUSA-N 287.403 3.634 30 20 CHED C=C(C)C[C@H](N[C@@H]1CCC[C@@H](CC(C)C)C1)C(=O)O 901682511 UXZPMRFNDBSFTL-ZNMIVQPWSA-N 267.413 3.600 30 20 CHED C=CCC[C@@H](CCC)N[C@@H]1CCN(C2CCCCC2)C1=O 678601600 ZWBRUKLOWXBOKR-NVXWUHKLSA-N 292.467 3.645 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)CCCCCC#N)[C@@H]1C 588166039 JNJUYSDZFPKCJR-RBSFLKMASA-N 264.413 3.649 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@]1(C)CC=CCC1 839321406 NBVIMDPRVALLHD-SUMWQHHRSA-N 284.359 3.662 30 20 CHED C=CCOCCOc1c(F)cc(Cl)cc1Cl 581823871 KYCWQRBTHUDPFX-UHFFFAOYSA-N 265.111 3.714 30 20 CHED Cc1cc(Oc2cc3c(nn2)CCC3)c(C)c(C)c1C#N 588081864 CVZBMUPHPMYTHR-UHFFFAOYSA-N 279.343 3.555 30 20 CHED N#Cc1ccccc1CNc1ccc(OCC2CC2)cc1 733194026 QNVXTRAUZHLSOQ-UHFFFAOYSA-N 278.355 3.959 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)C#CC(C)(C)C)c1 837356731 HYWWHSRMTWDENH-MRXNPFEDSA-N 269.388 3.708 30 20 CHED Fc1ccccc1[C@@]1(F)CCN(CC#Cc2ccccc2)C1 670107727 GDEJVSIMGDZIQT-LJQANCHMSA-N 297.348 3.748 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C)c(Cl)c1Cl)C(C)C 831175258 IHLDOYYJPHHDHV-LLVKDONJSA-N 284.186 3.689 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc(C(=O)O)cc1 832984421 PWFQYZPVCAKUDQ-VOTSOKGWSA-N 272.325 3.651 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C3CCC3)cc2)n(C)n1 834441277 FGCOQKHTNAZMDV-FLIBITNWSA-N 280.371 3.892 30 20 CHED C=C(C)CN(C)c1nnc(-c2ccc(C)o2)n1CC(C)C 670288291 YUNSLOHGCFTZFG-UHFFFAOYSA-N 288.395 3.515 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2scnc21 599043774 KYQPJCRZJLHYOA-HUUCEWRRSA-N 295.411 3.669 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)c2c(F)cccc2F)c1 917558394 OAUMSFBTGICWLO-DWOMLUCJSA-N 291.297 3.859 30 20 CHED C=C(C)CCOC(=O)CCc1ccccc1Br 744304566 YHTIUVBWDUACFC-UHFFFAOYSA-N 297.192 3.891 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/Cc2c(Cl)cccc2C1=O 849246941 YDIQZPLBFFRJBX-FLIBITNWSA-N 298.773 3.773 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(Cl)cc1SC 596978317 ZKGOVJGNFXEUSM-UHFFFAOYSA-N 297.811 3.829 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1nc2ccccc2n1C)C(C)(C)C 744011024 UZJHLYYIVWAXMI-UKVQZPPCSA-N 295.386 3.742 30 20 CHED C=C(Cl)COC(=O)c1c(-c2ccccc2)noc1C 916609334 AWKOIIZCEYSNFQ-UHFFFAOYSA-N 277.707 3.559 30 20 CHED CC(C)[C@@H]1N(c2nc(C#N)c(Cl)s2)CC1(C)C 596239863 LZPDLCOMKFOTMV-VIFPVBQESA-N 269.801 3.539 30 20 CHED Fc1ccc(C=NNCc2ccc(C(F)(F)F)cc2)cc1 915972434 MXTNWOUOEFBSSC-UHFFFAOYSA-N 296.267 3.968 30 20 CHED C=CCCCOC(=O)[C@H]1SCCc2sccc21 745639242 XDOUOSAJUFNJEB-LBPRGKRZSA-N 268.403 3.588 30 20 CHED CC[C@@H](C)CCNC(=O)C[C@@H](CC#N)c1ccccc1 597978799 RWTDEOQQJQAOJY-GDBMZVCRSA-N 272.392 3.626 30 20 CHED C=CC[C@H](NC(=O)N[C@H](C)C[C@@H](C)CC)c1ccncc1 745829202 YUPAQLQTQIZPQU-LZWOXQAQSA-N 289.423 3.823 30 20 CHED FC(F)CNN=Cc1ccc(-c2ccccc2Cl)o1 740618541 UFCOTPQYYLJNGS-UHFFFAOYSA-N 284.693 3.789 30 20 CHED Cc1ccc(C)c(NN=Cc2cc(F)c(O)c(F)c2)c1 749854477 PPKIHUBIXKVIMU-UHFFFAOYSA-N 276.286 3.733 30 20 CHED CC(C)(C)[C@@H](NCCc1ccc(C#N)cc1)C(F)(F)F 595423252 KRIVLTCYYLMUQY-CYBMUJFWSA-N 284.325 3.667 30 20 CHED COCc1ccc(C=NN[C@H](C)c2ccccc2)cc1 741762888 VQOIULMJLUVUEV-CQSZACIVSA-N 268.360 3.518 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N[C@H](C#N)CC(C)C 592613904 BZBYYEHROCBVSC-CABCVRRESA-N 264.413 3.813 30 20 CHED C=CCN(C(=O)Nc1cccc(OCC)c1)C(C)C 916712216 AROWHFLFSQLBMP-UHFFFAOYSA-N 262.353 3.514 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1(C)CCCCC1 593991064 XRYHNCMRQSGQKM-HNNXBMFYSA-N 298.430 3.823 30 20 CHED C=CCN(CCOc1ccc(SC)cc1)C(C)C 743841381 KHWALUBZPJRFFK-UHFFFAOYSA-N 265.422 3.684 30 20 CHED CC[C@@H](CN[C@H](C)c1cccc(C#N)c1)CC(F)F 595416425 XHLFVGBVSXGUMW-VXGBXAGGSA-N 266.335 3.890 30 20 CHED CC1(C)[C@H](C(F)(F)F)CCN1CCc1ccc(C#N)cc1 595457071 WJWNDNLOGUZTAR-CQSZACIVSA-N 296.336 3.764 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C[C@H](C)c2ccco2)cc1 599948793 ULDJRZOODFIHTI-XJKSGUPXSA-N 296.370 3.717 30 20 CHED C=C(C)CCOC(=O)C[C@H](C)c1cccc(F)c1 744304783 CVWBVKPEUXQWBO-LBPRGKRZSA-N 250.313 3.829 30 20 CHED C=CCCCSCc1ccc(OCC(F)(F)F)nn1 594559138 NUTDDOZBXXSDQY-UHFFFAOYSA-N 292.326 3.617 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC(OC2CCCC2)CC1 595298047 NQNPYYNOGIUMKX-SFHVURJKSA-N 284.403 3.675 30 20 CHED CCO[C@H](CC)c1noc([C@H](C)Cc2ccc(C#N)cc2)n1 596619804 CDVBBMWGWOUMAJ-IUODEOHRSA-N 299.374 3.775 30 20 CHED CNC(=S)N(C)N=C(CC(C)C)c1ccc(Cl)cc1 841647661 GITGOEIMIBKLFC-UHFFFAOYSA-N 297.855 3.526 30 20 CHED CC(=NNc1nccnc1Cl)C1C(C)(C)C1(C)C 746578238 ZKWKUZNWNHZQEP-UHFFFAOYSA-N 266.776 3.600 30 20 CHED CCCNN=C1CCSc2ccc(Br)cc21 920374338 ZOHAJHTWYIUTPR-UHFFFAOYSA-N 299.237 3.649 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)c2ccc(C)o2)cc1 742592443 CAMFHZSMUZMBPQ-HNNXBMFYSA-N 296.370 3.947 30 20 CHED CC(C)(C)OCc1ccccc1NC(=O)CCCC#N 928388735 OXYIJYBZXVMHNK-UHFFFAOYSA-N 274.364 3.634 30 20 CHED COc1ccccc1CON=Cc1ccc(N(C)C)cc1C 841636310 KBSGCCYCOQRVSY-UHFFFAOYSA-N 298.386 3.620 30 20 CHED CCOc1ccc(/C=N/CCCc2ccccc2)c(O)c1 920943504 ZFBDMXQAGIYVOP-XMHGGMMESA-N 283.371 3.843 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@@]2(C)c2ccccc2)c1 680375517 OUXAALQBXYRHQP-MOPGFXCFSA-N 290.366 3.903 30 20 CHED CN1CCc2cc(/C=C3\Cc4ccc(F)cc4C3=O)ccc21 751535872 QIYRQNOXTODFIX-OQLLNIDSSA-N 293.341 3.640 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)O[C@@H](C#N)C1CC1 753991384 OOLUVAILGHIQDG-XPKDYRNWSA-N 283.371 3.821 30 20 CHED CCCC(=CC(=O)NCCc1ccc(C#N)cc1)CCC 855225317 PCEAMRRUVVXRIJ-UHFFFAOYSA-N 284.403 3.744 30 20 CHED COc1ccc(COC(=O)[C@@]2(C#N)CC23CCCC3)cc1C 922770257 FGDOBWJILXHDGN-SFHVURJKSA-N 299.370 3.521 30 20 CHED CCCC[C@@](C)(F)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 857629926 FSCGXJOKIDKHTO-SUMWQHHRSA-N 290.382 3.996 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 929301805 HNLHBCSPBABHIT-LBPRGKRZSA-N 297.345 3.849 30 20 CHED C[C@@H]1CCCCC1=NNc1cncc(Br)c1 758122974 PIDXLUOFGZWRLU-SECBINFHSA-N 282.185 3.822 30 20 CHED C=CCCCN=[S@](=O)(c1ccccc1)C(F)(F)F 853726042 CJRLQQKNSJTLFT-SFHVURJKSA-N 277.311 4.000 30 20 CHED C[C@H](C#N)OC(=O)c1cccc(-c2c(F)cccc2F)c1 757781533 AVWWWFORFHPSEJ-SNVBAGLBSA-N 287.265 3.701 30 20 CHED C=CCC[C@H](C)NC[C@H](O)c1ccc(Cl)c(Cl)c1 850554201 AXIFPSUXFYBHPV-HZMBPMFUSA-N 288.218 3.971 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCCCC1)c1ccccc1 920154580 QGLNVVSJWDYKOU-CYBMUJFWSA-N 257.333 3.765 30 20 CHED Cc1ccc(C=NOCCC2SCCS2)cc1 853644552 QTQMLKZTYMMAEG-UHFFFAOYSA-N 267.419 3.542 30 20 CHED Cc1cc(C)cc(NN=Cc2cc(C(F)(F)F)nn2C)c1 853276684 IDOKXJQJCBEVEZ-UHFFFAOYSA-N 296.296 3.502 30 20 CHED CCc1cccnc1NCc1ccc(O[C@H](C)C#N)cc1 752101665 TYLFHECJDICTBT-CYBMUJFWSA-N 281.359 3.547 30 20 CHED CC(CCc1cccc(C)c1)=NO[C@H]1CCCCO1 755816540 GSWGNBMZYYWDIP-INIZCTEOSA-N 261.365 3.847 30 20 CHED Cc1nc(C(=O)O[C@H](C)CC#N)c(-c2ccccc2)s1 755677024 CVFSVHAIUQPGBU-SNVBAGLBSA-N 286.356 3.578 30 20 CHED C=CCCCC(=O)N(OC)[C@@H](C)c1ccccc1OC 855128642 OVQXUZJQWTYOLT-ZDUSSCGKSA-N 277.364 3.503 30 20 CHED COC[C@@H](C)NN=C1CCC[C@@H]1c1ccccc1Cl 758126178 HPUNSWIYRRBTOW-DGCLKSJQSA-N 280.799 3.588 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C#N)CC(C)C 755843157 ZVZNGUSHFOUUDR-BRADTZPFSA-N 290.794 3.798 30 20 CHED Cc1ccc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)c(O)c1 757475519 KXNLBDIXTVITAX-VURMDHGXSA-N 284.359 3.617 30 20 CHED CC(=NN=C1C[C@@H](C(C)C)c2ccccc21)c1cnccn1 766453264 BKFGYEPQAUONMW-INIZCTEOSA-N 292.386 3.833 30 20 CHED C=CCSCCNC(=O)Nc1ccc(C(F)F)cc1 933103022 RQRBIIFRYMCKIQ-UHFFFAOYSA-N 286.347 3.665 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)/C=C\c1ccccc1C#N 768934811 RNPMWWYZTUAUEA-ANGAQGJPSA-N 296.414 3.999 30 20 CHED Cc1ccc([C@@H](C)C=NOCc2cccnc2)cc1 863103732 IQAYJESIBBLUFU-AWEZNQCLSA-N 254.333 3.696 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(OCC)c(OCC)c1 765911566 QWPJYALXGGQFRJ-LBPRGKRZSA-N 283.799 3.887 30 20 CHED Cc1ccc(COC(=O)C2(C#N)CCCCC2)cc1F 766293557 SNFDVQSDFOXZQZ-UHFFFAOYSA-N 275.323 3.651 30 20 CHED C#CC[C@H](OC(=O)/C=C/c1ccc2[nH]ccc2c1)C1CC1 765961332 YFHDBPJHPLFWCP-MPNRVQBSSA-N 279.339 3.526 30 20 CHED C=CCCC(=NNCC(F)(F)C(F)(F)F)C1CC1 863181040 FZYLUTJSHUUTKR-UHFFFAOYSA-N 270.245 3.506 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc(C(F)(F)F)nn1 766030664 XLKHXQVAVDONJA-MRVPVSSYSA-N 286.301 3.719 30 20 CHED C=CCCC(C)(C)NC(=O)CCOc1ccccc1C 1118796360 NTDSVZHHAXVTDP-UHFFFAOYSA-N 275.392 3.625 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccn(C2CCCC2)n1 764005756 FVMQVCGTVIGZAG-UHFFFAOYSA-N 288.391 3.810 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1116616147 YORBLMXWNRJGQM-LLVKDONJSA-N 281.758 3.850 30 20 CHED CC(=NNc1cccc(Br)c1)[C@H]1CCCOC1 779767523 GCTYCSAIDIXQCI-NSHDSACASA-N 297.196 3.664 30 20 CHED CCCC(=CC(=O)N(CC)C[C@H](C)C#N)CCC 770663163 HQZMCAFPKWZOMO-CYBMUJFWSA-N 250.386 3.521 30 20 CHED Cc1cc(C)c(CC(=O)OCc2ccc(C#N)cc2)c(C)c1 773715363 QYRXJVQPIPCECN-UHFFFAOYSA-N 293.366 3.769 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(c1)CC(C)(C)O2 779934435 RDVBSUCVQNFHCK-UHFFFAOYSA-N 285.387 3.922 30 20 CHED C#CCSCCN[C@@H](C)c1ccc(-c2ccncc2)cc1 773010419 JQURNMVUBGAXCD-HNNXBMFYSA-N 296.439 3.766 30 20 CHED CN(C(=O)Cc1ccccc1CC#N)C1CCCCCCC1 776868913 VFZUIZLGHQQMFH-UHFFFAOYSA-N 298.430 3.866 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(SC(F)F)cc1 776008880 DAHUXMTZQOZGEG-SNVBAGLBSA-N 282.359 3.956 30 20 CHED C#C[C@H](N[C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCCO1 775574493 PRLFITMPJNTUOI-JVPBZIDWSA-N 279.383 3.671 30 20 CHED N#CCOC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 778208197 WRSAYSZQSIWZJJ-UHFFFAOYSA-N 287.702 3.813 30 20 CHED CC(C)(C)SCCCN1CCC[C@](C)(C#N)C1 878405901 LAWIYRGLXMYKAQ-CQSZACIVSA-N 254.443 3.534 30 20 CHED N#Cc1ccc(NN=CCCc2ccc3c(c2)CCO3)cc1 774372040 WVYVRMSFRHXUTB-UHFFFAOYSA-N 291.354 3.524 30 20 CHED CC[C@H](N[C@@H]1CC[C@H](SC)C1)c1ccc(C#N)cc1 774216786 ZNLUWUKLXGGTJC-PMPSAXMXSA-N 274.433 3.883 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccs2)cc1F 776725729 DJNYRHNFFVBYOA-WAYWQWQTSA-N 257.289 3.655 30 20 CHED CCCCCCCCCN(C)C(=O)c1nccs1 770260320 RMQWZUJYLJLYAB-UHFFFAOYSA-N 268.426 3.966 30 20 CHED Cc1cccc(OC(=O)c2cccc(CC#N)c2)c1Cl 774657899 MTEFFYMGDIMKBK-UHFFFAOYSA-N 285.730 3.934 30 20 CHED CC[C@@H]1CCCCN1CC[C@](C#N)(C(C)=O)c1ccccc1 877934063 AMLSUHQNQBPRPR-MOPGFXCFSA-N 298.430 3.692 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1ccc(COC(C)C)cc1 878448143 GWXBVOZABXEECJ-KRWDZBQOSA-N 288.391 3.535 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc(OC)c(Cl)c1 879191230 ZXROYCSGOKAOLB-UHFFFAOYSA-N 281.783 3.567 30 20 CHED CCc1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1 776110544 VEQKXLNHEVQULN-UHFFFAOYSA-N 279.339 3.672 30 20 CHED COc1cccc(NN=Cc2cc(F)ccc2C)c1 777879049 GUFVQGOARNEIGE-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=CCN(C(=O)Nc1c(Cl)cccc1OC)C(C)C 880805785 RLWQWMFYMIQQDB-UHFFFAOYSA-N 282.771 3.777 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1ccc2[nH]ncc2c1 779815953 HYQZYHZKLSHNNA-LLVKDONJSA-N 276.343 3.571 30 20 CHED N#C[C@H](OC(=O)c1csc(C2CC2)n1)C1CCCCC1 776382637 GNOHGYIGVXHLFZ-ZDUSSCGKSA-N 290.388 3.650 30 20 CHED N#Cc1ccc(OC(=O)[C@H]2CCc3c(Cl)cccc32)cc1 776074053 VSILSLMEYLRMJN-HNNXBMFYSA-N 297.741 3.847 30 20 CHED CC(=NNC[C@@H](C)C#N)c1cc(F)c(Cl)cc1Cl 771110891 DCFKXCCTWXGKBG-ZETCQYMHSA-N 288.153 3.606 30 20 CHED C#Cc1cccc(NCc2cc(OC)cc3c2O[C@H](C)C3)c1 779365982 VJQONEFMGAGNCM-CYBMUJFWSA-N 293.366 3.612 30 20 CHED Fc1cccc(OC(F)(F)F)c1C=NNc1ccccn1 788963427 IUHVABMKMYLTII-UHFFFAOYSA-N 299.227 3.565 30 20 CHED CCCCC[C@](C)(CC)C(=O)[C@H](C#N)c1nccn1C 1122607272 XXAYBLUPJZMYGT-BBRMVZONSA-N 275.396 3.593 30 20 CHED C#CCCCCCC(=O)Nc1c[nH]nc1-c1ccccc1 780655402 IVEKLEIURQDJRT-UHFFFAOYSA-N 281.359 3.599 30 20 CHED CC(C)C[C@@H]1CCCC(=NNCCc2ccncc2)C1 789097712 SRUCIBLWDMUMPF-INIZCTEOSA-N 273.424 3.806 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1c(O)cccc1F 886603447 ODTHCDRNOJDCDD-ZBEGNZNMSA-N 296.345 3.741 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 780915211 JYLQUJHNCYUFNP-CABCVRRESA-N 272.392 3.924 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1c(O)cccc1F 886603445 ODTHCDRNOJDCDD-BZNIZROVSA-N 296.345 3.741 30 20 CHED Cn1cc(/C=C2/CCc3cc(F)ccc3C2=O)c(C2CC2)n1 899360574 MDNXRPYZBBEHFD-JYRVWZFOSA-N 296.345 3.649 30 20 CHED CCc1cccc(NC(=S)N2CCC(CC#N)CC2)c1 781547685 QXCPZTCCXLIWPL-UHFFFAOYSA-N 287.432 3.571 30 20 CHED Fc1ccc(C2=CCC(=NN[C@@H]3CCCOC3)CC2)cc1 780263774 XLWADMHGEWMSBG-QGZVFWFLSA-N 288.366 3.518 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1nncc2ccccc12 783790505 HLRDTVZVUPJNPE-QWHCGFSZSA-N 268.364 3.854 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1ccc(C)c(C)c1 785754293 QJCNIABRPHBSCE-QGZVFWFLSA-N 274.360 3.632 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(C)cnc1Cl 785993476 OPJUACMOPNMQNM-NSHDSACASA-N 279.771 3.616 30 20 CHED CC(C)(CNc1nc(Cl)c(C#N)s1)C1CCOCC1 896785370 QASLXQTUSPMXPY-UHFFFAOYSA-N 299.827 3.533 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3ccnc(Cl)c3)ccc21 782194820 RMAGHFPRBFUDBG-HWKANZROSA-N 298.773 3.623 30 20 CHED CC1(C)CCC(C=NN[C@H](CO)c2ccccc2)CC1 788457238 IGHAYLJFNOOSRJ-MRXNPFEDSA-N 274.408 3.512 30 20 CHED N#CC1(CCCC[S@](=O)c2cccs2)CCC1 899285711 JBZPZCBGLNWKDO-KRWDZBQOSA-N 267.419 3.720 30 20 CHED C#CCCCCCC(=O)OCC(=O)c1cc(C)sc1C 780257588 SVHSQEWLHOITKD-UHFFFAOYSA-N 292.400 3.675 30 20 CHED CSc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)o1 1130934034 BBQCDLMAZJYULL-UHFFFAOYSA-N 292.747 3.779 30 20 CHED CCC[C@H](C)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 891460210 OFALETZUHPMKRC-AWEZNQCLSA-N 299.418 3.636 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cc(Cl)ccc1Cl 788031021 BQSFBKRLHBVOKQ-JTQLQIEISA-N 288.174 3.771 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)cc(C)c2)c1 103032933 LURZJZPURPDMMI-UHFFFAOYSA-N 263.340 3.561 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H](C)c1cccc(F)c1 797885032 HDUQCVSNYGGNFB-VIFPVBQESA-N 273.263 3.517 30 20 CHED CCOc1ccccc1NC(=O)Nc1cc(C#N)ccc1F 1202147165 GTOQRNYBRKMAGZ-UHFFFAOYSA-N 299.305 3.740 30 20 CHED COc1ccc(OCCCSCCCC#N)cc1 82693300 QOEZYOOTNOIBDT-UHFFFAOYSA-N 265.378 3.501 30 20 CHED Cc1nc(N2CCC(C(C)C)CC2)c(Cl)cc1C#N 394082493 IEPXPEQKXZFOQS-UHFFFAOYSA-N 277.799 3.788 30 20 CHED O=C(/C=C/c1ccsc1)c1ccnn1-c1ccccc1 798372001 IBHYQUSCOMXGMJ-VOTSOKGWSA-N 280.352 3.830 30 20 CHED CC[C@H](C)NN=Cc1cc(C(F)(F)F)ccc1F 790182514 DGBFNRJVPSLFDF-QMMMGPOBSA-N 262.250 3.567 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCc3c(Cl)cccc32)o1 796150761 JFBHYVFHVHOWCO-CYBMUJFWSA-N 287.702 3.649 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H](O)c1ccsc1 793530446 AOXUSVDGMAGUCM-UKRRQHHQSA-N 267.438 3.896 30 20 CHED N#Cc1ccsc1NC(=O)[C@@H](F)CC1CCCCC1 796523340 LYLUQASWZCGKHQ-LBPRGKRZSA-N 280.368 3.867 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H](C)c1ccc(Cl)cn1 797125793 DDOIAOJKQLSVMN-JTQLQIEISA-N 267.756 3.942 30 20 CHED Fc1ccc(F)c(CNN=C2CCC3(CC2)CC3)c1 792629696 OGGGGIZJYNIGNY-UHFFFAOYSA-N 264.319 3.765 30 20 CHED Cc1cc(C)c2c(c1)C(=NNc1ncccc1C)CCCO2 790192938 KSVUYLZKSIISQG-UHFFFAOYSA-N 295.386 3.996 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(C#N)cn1 567444441 CJVYCVHBHSOCMA-LBPRGKRZSA-N 285.778 3.800 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1C#N 714401288 UBFAWAAMFFLDDA-GWCFXTLKSA-N 276.767 3.976 30 20 CHED N#Cc1cnc(NCCc2ccc3ccccc3c2)c(F)c1 1157910568 LGMHSLITUCCTPK-UHFFFAOYSA-N 291.329 3.900 30 20 CHED C[C@H](Cc1cccs1)N[C@H](C)CC(C)(C)C#N 695861115 YJFQDZITPWXJFM-VXGBXAGGSA-N 250.411 3.597 30 20 CHED CCOc1cc(C=O)ccc1OCCCC(C)(C)C#N 87599035 FPBDSNZWUQMMCT-UHFFFAOYSA-N 275.348 3.607 30 20 CHED N#Cc1ccc(F)c(CNc2c(F)cc(F)cc2F)c1 88721883 XCWVGZCJUNEDGJ-UHFFFAOYSA-N 280.224 3.727 30 20 CHED Cc1cccc2cc(Oc3ncccc3C#N)cnc12 1163522350 BPGLLBXLXMPEEM-UHFFFAOYSA-N 261.284 3.602 30 20 CHED C#Cc1cccc(N[C@H](C)Cc2cccc(F)c2)c1 133766710 YANSWCRGOLTEJZ-CYBMUJFWSA-N 253.320 3.850 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCCC[C@H]1N(C)C 1319212200 RFOWCBFEAMONGE-HRCADAONSA-N 252.446 3.584 30 20 CHED Cc1cc([C@H](C)NC(=O)CC#Cc2ccccc2)c(C)o1 1319655673 NAVLVKPYZLPTFJ-AWEZNQCLSA-N 281.355 3.515 30 20 CHED C=CCc1cc(CNCCC(C)C)cc(OC)c1OC 1320719020 LLVLTUFYXQVPPS-UHFFFAOYSA-N 277.408 3.568 30 20 CHED C=C[C@@H](COC)NC(=O)Nc1ccc(CCCCC)cc1 1320302232 QKDHVGYNBLLQEE-HNNXBMFYSA-N 290.407 3.742 30 20 CHED CC(C)(C)c1ccc(NN=C2CCC[C@@H]2C(C)(C)C#N)nn1 1327802882 UUCWONCEKGWVDD-LBPRGKRZSA-N 299.422 3.892 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(OCCCC)cc1 1321715391 VQPMHAGQRFXOGW-GOEBONIOSA-N 277.408 3.717 30 20 CHED COc1ccc(CSc2cccnc2C#N)cc1C 1189337229 DVIWNFHQVFOMNV-UHFFFAOYSA-N 270.357 3.563 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(C)nc(C)c2)cc1 1337045061 XYQQGAXQZBTIEO-UHFFFAOYSA-N 293.370 3.567 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C(C)(C)CCCc1ccccc1 1337808801 QMZDDFCPZNXRPZ-HNNXBMFYSA-N 286.419 3.796 30 20 CHED C=C[C@H](OC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccccc1 1331438564 WVLYGKHCGPBIDO-CVEARBPZSA-N 286.371 3.806 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)/C(C)=C\c1ccco1 1347520972 DQIPYHDWGKDIED-WUFNSSIPSA-N 259.349 3.640 30 20 CHED CC(C)(CC#N)COC(=O)CCCC(=O)c1ccccc1 1342653030 QSHWKLZRGJDDKF-UHFFFAOYSA-N 287.359 3.523 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)CC#Cc2ccccc2)C1 1352781436 ZSDPUINBNPEFBD-UHFFFAOYSA-N 283.415 3.855 30 20 CHED CC(C)c1cnc(NC(=O)c2ccc(C#N)cc2F)s1 1360443296 XLWVUWVBZXETSP-UHFFFAOYSA-N 289.335 3.530 30 20 CHED Cc1sccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 1525564638 KBDHTJKKAKOALR-JTQLQIEISA-N 271.341 3.846 30 20 CHED N#Cc1ccccc1SCCc1nc2ccccc2[nH]1 1458951116 SJYVORXMJWMUIZ-UHFFFAOYSA-N 279.368 3.769 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)ccc1F 1523817496 GJZYBDHHDSQAMV-KBPBESRZSA-N 288.366 3.644 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](CC#N)c2ccco2)cn1 1520417680 JPZUACMIQDVRMY-HNNXBMFYSA-N 284.315 3.610 30 20 CHED CCCC[C@@](C)(F)C(=O)O[C@H](CC#N)c1ccco1 1520418108 NKINUDKYBYXKBR-TZMCWYRMSA-N 267.300 3.696 30 20 CHED CS[C@H]1CCCC(=NNc2cccc(C(=O)O)c2F)C1 1607391316 IVRQIJBITNYYKN-JTQLQIEISA-N 296.367 3.597 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)C1 1478830967 ZARZVJXUYFDFKR-PBHICJAKSA-N 291.439 3.538 30 20 CHED Cc1nc(N2C[C@H](C)CCC[C@@H]2C)c(Cl)cc1C#N 1611997240 GPLXDVFBWKRUCO-MNOVXSKESA-N 277.799 3.930 30 20 CHED CN(c1cc(C#N)cnn1)C1c2ccccc2-c2ccccc21 1472716709 UBDGEDIEFNPMDQ-UHFFFAOYSA-N 298.349 3.554 30 20 CHED CC1(C)CN(c2ccc(C#N)c(Cl)c2)CC(C)(C)O1 226425233 ONQRFRBPFMQWMC-UHFFFAOYSA-N 278.783 3.605 30 20 CHED CCC(CC)[C@@H](CCNc1cccc(F)c1C#N)OC 1612161657 XCJRPUWVSLMARE-MRXNPFEDSA-N 278.371 3.951 30 20 CHED Cc1cc(N2CC[C@H](C(C)(C)C)C[C@H]2C)ncc1C#N 1559203415 RWYHRMHXSLHACA-HIFRSBDPSA-N 271.408 3.913 30 20 CHED CCC(CC)(CC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1623605223 VQPVECWSAMXGHD-UHFFFAOYSA-N 284.363 3.589 30 20 CHED Cc1cc(C#N)cc(NCc2cc(O)cc(Cl)c2)c1 1560504066 HVZUCINCQGGDEG-UHFFFAOYSA-N 272.735 3.838 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)NCC(C)(C)C#N)CC(C)(C)C1 1634161431 XQXJKRSIDRXFBW-KGLIPLIRSA-N 293.455 3.688 30 20 CHED CCN(CCOc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C 1645287173 JLGNCRHPYMKQFH-QAPCUYQASA-N 286.419 3.838 30 20 CHED CCc1csc(Sc2nc(C#N)c(Cl)s2)n1 1652087314 BMGRNEBBHDGMAM-UHFFFAOYSA-N 287.822 3.838 30 20 CHED CC[C@](C)(CN1CCC(c2ccc(C#N)cc2)CC1)OC 1658989644 AMDFSSLXAPVJDK-GOSISDBHSA-N 286.419 3.553 30 20 CHED CCCC[C@H](Sc1ccc(C#N)c(C)c1)C(=O)OC 1652058289 HTHBQDVOXXCJIJ-AWEZNQCLSA-N 277.389 3.691 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc3c(c2)CCC=C3)C1 1596978150 LSNFARUFQRMAMI-DYVFJYSZSA-N 281.355 3.885 30 20 CHED CC(C)CC1(C(=O)Nc2cc(F)cc(C#N)c2)CCC1 1596856251 OMNRBDWSPIILFI-UHFFFAOYSA-N 274.339 3.852 30 20 CHED Cc1cccc2c1C/C(=C\c1csc(C(=O)O)c1)C2=O 1777455992 AGFOYZFFLPNCEQ-VZUCSPMQSA-N 284.336 3.577 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCCCCC2CC2)C1 1776156603 ZBLKIBBCXAKISD-KRWDZBQOSA-N 279.424 3.700 30 20 CHED C=CCCCCCN(C)Cc1noc2c1CCCC2 150884956 KBQKRNURICMFQB-UHFFFAOYSA-N 262.397 3.732 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1cccc(O)c1)CC1CC1 162927026 RYIFTDMTTKXDIA-UHFFFAOYSA-N 299.414 3.899 30 20 CHED CCCCCCCCC(=O)N1CC[C@H]2OCCC[C@@H]2C1 163441063 QSRQQYUSDJRIGC-HZPDHXFCSA-N 281.440 3.765 30 20 CHED N#Cc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1 151584912 HKQJOAZQMAATOY-UHFFFAOYSA-N 280.258 3.696 30 20 CHED CC#CCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 156496916 GGSYXVFMLNKAPC-CQSZACIVSA-N 288.460 3.615 30 20 CHED COc1cc(C#N)ccc1OCCCc1ccccc1 11895403 HJOFYJXCSHRBKU-UHFFFAOYSA-N 267.328 3.578 30 20 CHED N#Cc1c(F)cccc1Oc1ccc(C(=O)O)c(Cl)c1 236485050 PXNNRDGRWDMILD-UHFFFAOYSA-N 291.665 3.841 30 20 CHED N#CCC1(COc2ccccc2OC(F)(F)F)CC1 134993187 PMWYRQIMWJBKBJ-UHFFFAOYSA-N 271.238 3.658 30 20 CHED N#Cc1ccc(NCC[C@H]2C[C@H]3CC[C@H]2O3)c(Cl)c1 894159409 NOTJSKFVGPLXAE-YWPYICTPSA-N 276.767 3.581 30 20 CHED N#Cc1cc(NCc2ccco2)ccc1C(F)(F)F 128754315 ZBFJVIMVGWXQJC-UHFFFAOYSA-N 266.222 3.782 30 20 CHED Cc1cccc(C(=O)N(C)c2cccc(C#N)c2)c1Cl 160330097 ZZLPTNBXAZBKTP-UHFFFAOYSA-N 284.746 3.797 30 20 CHED COCc1ccccc1N[C@@H](C)c1ccc(C#N)cc1 36938886 TUHRORJMBMWBDV-ZDUSSCGKSA-N 266.344 3.878 30 20 CHED N#Cc1ccc(CNCc2ccc(F)cc2Cl)cc1 37749195 QNJMVFIVSMADBD-UHFFFAOYSA-N 274.726 3.641 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@H]1C=CCC1 45934531 RIZZDAMGXSILMW-HNNXBMFYSA-N 255.361 3.558 30 20 CHED CCCCCCCCNC1CCN(C(=O)OCC)CC1 59089212 HSMNSSSKKZMREQ-UHFFFAOYSA-N 284.444 3.557 30 20 CHED CC(C)C[C@@H]1CCN(Cc2cc(F)ccc2C#N)C1 307830120 JMKOGLPDAWAFRV-ZDUSSCGKSA-N 260.356 3.565 30 20 CHED CC[C@@H](C)[C@H](C)Nc1nc(C)c(C#N)cc1Cl 310183986 XYKIGTVEDZSRGA-BDAKNGLRSA-N 251.761 3.762 30 20 CHED C=CCCNC(=O)N(Cc1ccccc1)[C@H](C)CC 665945817 NXLTYXGHHDPOKL-CQSZACIVSA-N 260.381 3.573 30 20 CHED CC(C)n1ccc(CNc2cc(Cl)ccc2C#N)n1 84219825 GKPYELAABFYYBC-UHFFFAOYSA-N 274.755 3.601 30 20 CHED C#C[C@@H](NCc1ccc(C(F)F)cc1)C(C)(C)C 702256431 MIQRIKYBUBUSRK-CYBMUJFWSA-N 251.320 3.762 30 20 CHED N#Cc1cccnc1N1CCC[C@@H](C2CCCCC2)C1 708373897 NLSLKFVOPNIBKX-MRXNPFEDSA-N 269.392 3.750 30 20 CHED C#CCCCCNC(=O)c1ccc(C)c(C(F)(F)F)c1 692644425 ICPGSPBZVRQWDP-UHFFFAOYSA-N 283.293 3.547 30 20 CHED C#CCCCNC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 925161138 ILAKGWIQEHUJBU-IHWFROFDSA-N 296.458 3.575 30 20 CHED N#CCC[C@@H](C#N)COc1cc(Cl)ccc1Cl 119222292 ROZFGCFNPNTPLD-VIFPVBQESA-N 269.131 3.816 30 20 CHED Cc1ccnc(NCc2ccc(C#N)cc2)c1Cl 341725262 YGXVPJRKWYVISB-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C[C@@H](CCc1ccc2c(c1)OCO2)Nc1ccc(C#N)cc1 20828578 CEMXWPOMDBROPC-ZDUSSCGKSA-N 294.354 3.720 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)CC#N)CCCC2)cc1 108263876 DINSDNXJGOIUHO-UHFFFAOYSA-N 284.403 3.604 30 20 CHED C=CC[C@H](C)NC(=O)N(C)CC(C)(C)c1ccc(C)cc1 176865742 DHQBURUXHOSDQV-HNNXBMFYSA-N 288.435 3.879 30 20 CHED C[C@@H](C(=O)Nc1ccccc1SCCC#N)C1CC1 178482693 CONLRNUCHVTXET-LLVKDONJSA-N 274.389 3.677 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1 103250120 HLCFQTCYPSHWBW-RSPDNQDQSA-N 293.322 3.579 30 20 CHED C=CCCC(=O)N(Cc1ccc(F)cc1)CC(F)(F)F 174611735 DFEPCSMXVPRFEV-UHFFFAOYSA-N 289.272 3.683 30 20 CHED CCOc1cc(F)ccc1NCc1cc(C#N)ccc1F 178299474 NREZAHWJVXSZRA-UHFFFAOYSA-N 288.297 3.847 30 20 CHED CCS[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C 66288765 NJUPRLGYQALJGT-DOMZBBRYSA-N 290.432 3.513 30 20 CHED CN(CCCNc1ccc(F)cc1C#N)C1CCCCC1 111026592 ISZKDDDDWJRCCE-UHFFFAOYSA-N 289.398 3.764 30 20 CHED C=C[C@H](CC(=O)NCc1ccc(O)c(F)c1)c1ccccc1 179361334 GAXHDAKVPNJGHI-CQSZACIVSA-N 299.345 3.507 30 20 CHED CCc1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1 174459080 RJFQSQJKHXOFQX-UHFFFAOYSA-N 297.333 3.581 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2sc3c(c2C#N)CCC3)C1 177095007 CHXDXNUYKQMEHM-GHMZBOCLSA-N 288.416 3.873 30 20 CHED N#Cc1ccc(CNc2ccccc2Cl)c(F)c1 20052038 LYHUJQMKENXUOM-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2sc3c(c2C#N)CCC3)C1 177094979 CHXDXNUYKQMEHM-MNOVXSKESA-N 288.416 3.873 30 20 CHED C=CCN(C(=O)c1cscc1C)c1ccccc1 175476504 UJEQTFRIFGSYIG-UHFFFAOYSA-N 257.358 3.889 30 20 CHED C=CC1CCN(C(=O)Nc2ccccc2CC)CC1 111709088 HIURBYQSWZXDNZ-UHFFFAOYSA-N 258.365 3.679 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)Cc2ccc(F)cc21 176411358 ROYNWYYGKICZHB-GHXNOFRVSA-N 256.251 3.787 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C#N)CC1 171471901 TUXRLQBNRFTQRA-HOTGVXAUSA-N 291.439 3.536 30 20 CHED CCc1nc(CN(CCC#N)CC(CC)CC)cs1 173555249 RXSAKDLUCGJUIV-UHFFFAOYSA-N 279.453 3.857 30 20 CHED C[C@@H](C#N)NC(=O)CCCCc1ccc(C(C)(C)C)cc1 171026927 QBRPVMILFFSRDV-AWEZNQCLSA-N 286.419 3.725 30 20 CHED Cc1cc(C)c2c(c1)[C@@H](NCCCCC#N)CCCO2 178648079 AHERSYRZASDTTE-INIZCTEOSA-N 272.392 3.801 30 20 CHED Cc1cc(C)cc(N/C(N)=N/CC2(C)CCCC2)c1 304749349 HQTJVDHCANSQRU-UHFFFAOYSA-N 259.397 3.610 30 20 CHED CC(C)Oc1ccc(Nc2c(C#N)cccc2C#N)cc1 302864813 XRILFMWECLVNQO-UHFFFAOYSA-N 277.327 3.961 30 20 CHED CN(C)c1ccccc1CSc1cccc(C#N)c1 179905843 XDYGNAUNNCWREU-UHFFFAOYSA-N 268.385 3.917 30 20 CHED CCc1ccc(Nc2snc(Cl)c2C#N)cc1 301934133 RJUKXYFDTHOAKU-UHFFFAOYSA-N 263.753 3.974 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1CC1CCCCC1 301111866 NHYFCPPDPUXAFN-INIZCTEOSA-N 269.392 3.892 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H](C)c1ccccc1 125096793 XTGTZLMMDAMFRE-CQSZACIVSA-N 280.371 3.760 30 20 CHED CN(Cc1nc2ccccc2s1)c1ccc(C#N)cc1F 301137088 BHVYOTGRWAZPDS-UHFFFAOYSA-N 297.358 3.943 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](CC)Cc1ccccc1 188159891 HOGOMJFAFMHZLX-NVXWUHKLSA-N 259.393 3.726 30 20 CHED C=C(C)CS(=O)(=O)N1CCCCC[C@@H]1c1ccccc1 189560767 SSNRRHPUTZQZTJ-MRXNPFEDSA-N 293.432 3.510 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(CCC(C)C)CC1 185850352 PZPAHVXDTFTGBY-UHFFFAOYSA-N 263.425 3.711 30 20 CHED C#CCCCCNC(=O)Nc1c(C)cccc1SC 185030611 LFDMJRMZVPFDTP-UHFFFAOYSA-N 276.405 3.642 30 20 CHED CCCn1c(SCCC#N)nnc1-c1cccc(C)c1 123784726 BMBRQZGNVGGCMY-UHFFFAOYSA-N 286.404 3.669 30 20 CHED CC(C)(CC#N)COC(=O)c1cccc(-n2cccc2)c1 184824320 UFAFLLYLVLKNEO-UHFFFAOYSA-N 282.343 3.574 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1ccc(F)cc1C 185819154 MIPNUGJQUVXTMX-UHFFFAOYSA-N 298.317 3.790 30 20 CHED COc1cccc(CSc2ccc(C#N)cc2)c1 79647936 FSWCYTUEYIVHBU-UHFFFAOYSA-N 255.342 3.859 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2C)cc(OC)c1 213701834 FLPXMQFMLAGDIU-HJWRWDBZSA-N 282.339 3.908 30 20 CHED N#CC1(COC(=O)c2ccc(-c3ccccc3)[nH]2)CCC1 183853531 MWMUIQYCUGDCSK-UHFFFAOYSA-N 280.327 3.532 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccccc1COCC 122902480 APEPFIOIHCFAKH-UHFFFAOYSA-N 287.403 3.608 30 20 CHED CC#CCCCC(=O)Nc1cncc(Cl)c1Cl 186125806 RLDSVNMZYPNYAT-UHFFFAOYSA-N 271.147 3.521 30 20 CHED CC(C)(CC(=O)Nc1cccc(C#N)c1)c1ccccc1 36140106 FOKWHQNTJRCTSN-UHFFFAOYSA-N 278.355 3.865 30 20 CHED CCC(CC)CC(=O)Nc1nc(C)c(SCC#N)s1 127102646 MXXWKYIRLIYLFD-UHFFFAOYSA-N 297.449 3.832 30 20 CHED Cc1ccc(F)c(C(=O)N(CCC#N)CCC(C)C)c1 78419538 OYRBEDWXXYBDAB-UHFFFAOYSA-N 276.355 3.536 30 20 CHED CCCN(CC#N)C(=O)c1ccc(C)c2ccccc12 413210739 WSSDQCSEMQSOSS-UHFFFAOYSA-N 266.344 3.524 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)cc1SC 415884706 QPVUMXUNDDJOJW-INIZCTEOSA-N 293.432 3.884 30 20 CHED Cc1cc(C)c(C(=O)COc2ccc(C#N)cc2F)c(C)c1 318266296 IDRFQNPZSGTLHI-UHFFFAOYSA-N 297.329 3.884 30 20 CHED CCN(CC)c1ccc(/C=N/C[C@H]2CCCS2)c(O)c1 129342479 QNVNSPAEZBXOPE-QAEAHILHSA-N 292.448 3.553 30 20 CHED C=CCC(C)(C)CNC(=O)CC1(CC(=O)O)CCCCC1 314656549 BDURQSHEIGTGFE-UHFFFAOYSA-N 295.423 3.520 30 20 CHED C=CCCC(=O)O[C@H](Cc1ccc(F)cc1)C(F)(F)F 188221181 PAIBEGHHNYTQCH-GFCCVEGCSA-N 290.256 3.809 30 20 CHED CSCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 369803972 QJMAVPBTBLDADB-CVEARBPZSA-N 274.433 3.511 30 20 CHED CC(C)(C)c1csc(NC(=O)[C@@H]2CCCS2)c1C#N 410929641 NRAWTHZAUWXROB-NSHDSACASA-N 294.445 3.751 30 20 CHED C=CCCN(C)Cc1ccc(N2CCCCC2)cc1 132401382 QABQVMXGKFMICE-UHFFFAOYSA-N 258.409 3.685 30 20 CHED N#CC1(C(=O)Nc2ccc3ncccc3c2)CCCCC1 49083096 JEQNXWRMQKQNMS-UHFFFAOYSA-N 279.343 3.647 30 20 CHED CCN(Cc1cccc(C#N)c1F)Cc1occc1C 412027093 NVVWUEYJHCPMGA-UHFFFAOYSA-N 272.323 3.621 30 20 CHED N#Cc1ccc(F)c(CSCC2CC(F)(F)C2)c1 419517856 XVJGXLUYFJHBSL-UHFFFAOYSA-N 271.307 3.976 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCS[C@H](C)C1 505023316 LFMYKVGEHRDRPT-CYBMUJFWSA-N 290.432 3.774 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CC 413829951 WXBVKACIKZERPR-IRXDYDNUSA-N 286.419 3.758 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 418144854 VFJUIBPZTBLKHX-HZPDHXFCSA-N 283.419 3.700 30 20 CHED C#CCCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 159314200 TYRSXCQUSVTPKC-UHFFFAOYSA-N 286.158 3.831 30 20 CHED N#Cc1ccc(Sc2ccc(F)c(Cl)c2)nc1 48399088 KDKGXHSEUBHJJG-UHFFFAOYSA-N 264.712 3.897 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@H]1CCCc2ccccc21 410827113 JXNFAFSVPCDDMT-HZPDHXFCSA-N 284.403 3.647 30 20 CHED C[C@H](C1CC1)N(C)Cc1ccccc1C(C)(C)C#N 135145184 QNBVLGABWRLBPY-CYBMUJFWSA-N 256.393 3.718 30 20 CHED C[C@@]1(C#N)CCCN(Cc2coc(-c3cccs3)n2)C1 612163799 TYIYJLDPTFISDW-HNNXBMFYSA-N 287.388 3.529 30 20 CHED N#Cc1cccc(Oc2ccc([N+](=O)[O-])c3ccccc23)n1 132845665 CJCJAVFWYUVRLF-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N2CCc3c(C#N)cccc32)C1 421652754 UNAIHJRJELRQBX-KBPBESRZSA-N 282.387 3.664 30 20 CHED N#CC1(/C(O)=N/CC2(c3ccncc3)CCCC2)CCC1 329197761 ACGASNADMUMKRJ-UHFFFAOYSA-N 283.375 3.544 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1O 134928927 BTQUZMHPZCWUIJ-HTQZYQBOSA-N 260.164 3.924 30 20 CHED Cc1cccc(OC[C@H](C)NCc2ccc(C#N)c(F)c2)c1 421324313 JMYQCXLGMSSXIQ-AWEZNQCLSA-N 298.361 3.563 30 20 CHED CSCc1ccc(NC(=O)c2cc(C#N)cs2)cc1 84095318 QPPSNTFHOXWXBV-UHFFFAOYSA-N 288.397 3.735 30 20 CHED CCC(CC)S[C@@H](C)C(=O)Nc1cccc(C#N)c1 131860746 VNWOUURQCLWEQM-NSHDSACASA-N 276.405 3.807 30 20 CHED CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 46443295 DPGOMTFFPKCLGL-NSHDSACASA-N 276.748 3.660 30 20 CHED CCCCCC(C)(C)/C(O)=N/S(=O)(=O)c1ccccc1 84692131 SFWHIGGGIBGTMH-UHFFFAOYSA-N 297.420 3.938 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC[C@@H](C)C1 425128293 KAYUKRISNNUMIU-JKIFEVAISA-N 284.403 3.904 30 20 CHED CCCCCCCCC[S@](=O)Cc1ccon1 190804847 BWUOXLUJNUYOOV-KRWDZBQOSA-N 257.399 3.674 30 20 CHED C=CCC1(c2nc(COc3cccc(F)c3)no2)CCC1 191343357 CTLACPJYGRNRIY-UHFFFAOYSA-N 288.322 3.786 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccccc1Cl 264309631 SPVFEDQPPZGUQN-UHFFFAOYSA-N 278.783 3.742 30 20 CHED CC[C@H](C#N)OC(=O)C[C@H](c1ccccc1)C(C)C 84697874 VHQYEWWLKVNOLQ-CABCVRRESA-N 259.349 3.662 30 20 CHED C=C1CCN(C(=O)C[C@@H](C)c2ccc(F)cc2F)CC1 336330001 GGRSLMNKBYFFHZ-GFCCVEGCSA-N 279.330 3.637 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)C[C@H](CC#N)c1ccccc1 331052335 IZLJCGKYNKTEFN-HOTGVXAUSA-N 284.403 3.769 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(C#N)c2C)o1 337841422 ZPWKUBPFIPKARC-INIZCTEOSA-N 294.354 3.745 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 514917024 HQTRCWNOIUMTLG-INIZCTEOSA-N 274.408 3.992 30 20 CHED CCC[C@H](C)c1cc(NC(=O)Nc2ccc(C#N)cc2)[nH]n1 192197906 PSDXTBQAWXDXKG-NSHDSACASA-N 297.362 3.829 30 20 CHED C=C1CCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 336345654 ARPAUAYENUNERF-UHFFFAOYSA-N 294.354 3.666 30 20 CHED CSc1ccccc1C(=O)Nc1ccccc1CC#N 339168010 JCKMOTLLYMNUQG-UHFFFAOYSA-N 282.368 3.727 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)NCC(C)(C)C#N)cc1 512900403 CPZGFKIBZJUKQG-INIZCTEOSA-N 299.418 3.781 30 20 CHED C#CCCCC(=O)NC1CCC(c2ccccc2)CC1 192066505 MDWWRHFAGCETHO-UHFFFAOYSA-N 269.388 3.633 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)cc2)nc2ccccc12 192648117 KFIZTDQBHPYZOR-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(c3ccccc3)CC2)C1 334388565 QUUKYYYYHGFWIU-YOEHRIQHSA-N 254.377 3.558 30 20 CHED CCc1ccc([N+](=O)[O-])cc1NCc1cccc(F)c1C#N 427413078 LEXNXYOEJBTROD-UHFFFAOYSA-N 299.305 3.780 30 20 CHED N=C(O)CC1(/N=C(/O)C[C@@H]2C=CCCC2)CCC1 330200857 XAXDNAFPOGLTCB-LLVKDONJSA-N 250.342 3.537 30 20 CHED Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)co1 336168589 ZNQKBHWIRHRRNV-DLBZAZTESA-N 294.354 3.500 30 20 CHED CCCC[C@H](CC)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 330918618 NIIGUJFUULMMJE-YCPHGPKFSA-N 264.413 3.791 30 20 CHED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC1(C)C 335864240 LXBSPOLXTPGHFF-CQSZACIVSA-N 285.391 3.750 30 20 CHED C=CCOc1cccc(CN[C@H]2c3ccccc3O[C@@H]2C)c1 516209665 HBUBGGXSQQUNGA-AUUYWEPGSA-N 295.382 3.863 30 20 CHED CC[C@H](C)C[C@H](C)Nc1nccc(C#N)c1Cl 234008603 IRXFSVWSZBIDGH-UWVGGRQHSA-N 251.761 3.843 30 20 CHED Cc1cc(C)cc(NC(=O)N2CCC(CCC#N)CC2)c1 335471974 VWRNJIPRKOOCQR-UHFFFAOYSA-N 285.391 3.851 30 20 CHED C[C@@H](C(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1 335675768 NQQONBZEJCQSQO-MRVPVSSYSA-N 292.310 3.640 30 20 CHED N#CC1(C(=O)Nc2ccc3ccoc3c2)CCCCC1 336050583 JCGDRUWIIBHEDJ-UHFFFAOYSA-N 268.316 3.845 30 20 CHED Cc1cc(N/C(O)=N/C2(C)CCCC2)ccc1[N+](=O)[O-] 331001774 FSEYTDFORFURAJ-UHFFFAOYSA-N 277.324 3.562 30 20 CHED N#Cc1ccccc1CN[C@@H](c1ccccc1)C(F)F 433050904 FDNCGTBOZAORJK-HNNXBMFYSA-N 272.298 3.654 30 20 CHED CC[C@H](C)C[C@H](C)/N=C(/O)N[C@H]1CCc2c(O)cccc21 330999103 YZRBRWQVEJQVNS-HUBLWGQQSA-N 290.407 3.708 30 20 CHED CCC(=O)Nc1ccc(C)c(NCc2cc(C#N)cs2)c1 93685853 AVZOJINHSVWCAS-UHFFFAOYSA-N 299.399 3.889 30 20 CHED Cc1ccc(C[S@@](=O)Cc2ccc(CC#N)cc2)cc1 342254873 MEFQRKUUGSLZDD-HXUWFJFHSA-N 283.396 3.510 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(O)c(Cl)c1 620863040 CVDYKKNRGQOSMS-UHFFFAOYSA-N 267.756 3.520 30 20 CHED CSc1ccc(CSc2ncccc2C#N)cc1 341775784 JKZURVURNSFRET-UHFFFAOYSA-N 272.398 3.967 30 20 CHED C=CCCC1(c2nc([C@H]3COc4ccccc4O3)no2)CC1 347124379 OGIHLIDJSSSZIJ-CQSZACIVSA-N 298.342 3.580 30 20 CHED CC(C)(C)Oc1cccc(CNc2ccc(C#N)cc2)n1 348122101 GVHSEGUVVICVCV-UHFFFAOYSA-N 281.359 3.743 30 20 CHED COCc1ccc(N[C@H](C)Cc2ccsc2)cc1C#N 529643100 IVBGYCKEPPNHFX-GFCCVEGCSA-N 286.400 3.809 30 20 CHED CCN(C(=O)c1cn(CCCC#N)c2ccccc12)C(C)C 345726497 RJUZKVGKMKVLKK-UHFFFAOYSA-N 297.402 3.816 30 20 CHED C=CCN(CCC#N)Cc1cnc(-c2ccsc2)s1 430085710 NZIIHRGNJPFMSH-UHFFFAOYSA-N 289.429 3.773 30 20 CHED CCN(Cc1csc(C(F)(F)F)c1)C[C@H](C)C#N 600111821 GLKOYHJPJRWGNG-SECBINFHSA-N 276.327 3.748 30 20 CHED C=CCC(C)(C)CNC(=O)NC1CC(c2ccccc2)C1 432080687 PFLSYNVWGWAHHS-UHFFFAOYSA-N 286.419 3.834 30 20 CHED CC(C)c1cccc2c1OCCC[C@H]2NCCCC#N 346821931 GSYVVMRFQSBGGC-MRXNPFEDSA-N 272.392 3.917 30 20 CHED N#C[C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C1CC1 601076011 XLLJVEJWAKFSJL-LLVKDONJSA-N 297.305 3.976 30 20 CHED CCOC1CC(N(C)c2ccc(C#N)c(C(F)(F)F)c2)C1 340916359 PASJGWWRSDKTDN-UHFFFAOYSA-N 298.308 3.581 30 20 CHED C=CCCC1(c2nc(Cc3csc(CC)n3)no2)CC1 346113032 DJOHMLKANDYHLJ-UHFFFAOYSA-N 289.404 3.677 30 20 CHED C=CCCOCCCCC(=O)N1[C@H](C)CC[C@H]1CC 343049824 INBCCPRCLZBGPL-HUUCEWRRSA-N 267.413 3.539 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CCC1 341871968 GUKHEMICIQNQEJ-SJKOYZFVSA-N 254.377 3.714 30 20 CHED C=CCOCCCN1CCCCC[C@@H]1c1ccco1 348049609 PFHGZOYYHXKXNS-OAHLLOKOSA-N 263.381 3.789 30 20 CHED N#C[C@H](Sc1nc(-c2ccccc2)co1)C1CC1 601081184 LMCVPPXAQGCNHS-ZDUSSCGKSA-N 256.330 3.736 30 20 CHED CC(=O)Nc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1 348057576 DBFWONWLQYPSFA-LLVKDONJSA-N 297.333 3.829 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](CC)CCC 520095154 NGRVGYAYAPWXGR-ZDUSSCGKSA-N 261.365 3.560 30 20 CHED CN(CCCCC#N)C1CCC(C(F)(F)F)CC1 344164740 MCUDQHRLILYQJN-UHFFFAOYSA-N 262.319 3.733 30 20 CHED N#CC[C@@H](Cc1nc([C@@H]2CCCS2)no1)c1ccccc1 346952960 BDOZBKCEGWUQAN-KBPBESRZSA-N 299.399 3.878 30 20 CHED CCCC(=O)Nc1cccc(C/N=C\c2ccccc2O)c1 255393199 OGEUXNVGSNKBEN-UYRXBGFRSA-N 296.370 3.750 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cc(C#N)cs1 255898090 FFSQBWALJXRTFE-PLNGDYQASA-N 283.352 3.833 30 20 CHED COC(=O)c1ccc(C(C)C)c(N[C@H]2CC[C@@H](C#N)C2)c1 442880637 ZFBFACKZIFVCDK-OCCSQVGLSA-N 286.375 3.701 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1cc2cscc2s1 528800998 XKMATYDOPYMNQV-NSHDSACASA-N 278.402 3.631 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCCC1 255899994 HUUPXSVGXXLCEA-FLIBITNWSA-N 259.305 3.757 30 20 CHED Cc1ccccc1CN(C)CC#Cc1ccc(F)cc1 448203622 YKVZWUJPKTUWKA-UHFFFAOYSA-N 267.347 3.618 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)NCC#Cc1ccccc1 606632869 VMBNIWUNZKKPNX-WMZOPIPTSA-N 298.430 3.648 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccccn2)CCCCC1 448585468 NPTBTEXVNASRTJ-AWEZNQCLSA-N 272.392 3.785 30 20 CHED CCS[C@H](C)c1noc(C2(C#N)CCCCC2)n1 357328852 ZLNGHRRHWRKLKA-SNVBAGLBSA-N 265.382 3.609 30 20 CHED Cc1cccc(O[C@@H](C)CN[C@@H](C)c2cccc(C#N)c2)c1 537292770 OCEHOCBPAKIJHI-HOTGVXAUSA-N 294.398 3.985 30 20 CHED COc1cc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1C#N 442881884 BMTTXAVORNAPDQ-FRFSOERESA-N 284.403 3.720 30 20 CHED C=CCCC1(C(=O)NCc2cc3ccccc3[nH]2)CC1 355358644 ZPJCOCHODYNYOX-UHFFFAOYSA-N 268.360 3.531 30 20 CHED CSc1ccc(F)cc1CNC[C@@H](C)CCC#N 602559593 FUBQEVVELBFMAN-NSHDSACASA-N 266.385 3.577 30 20 CHED C=C(CC)CN1CCN(c2cccc3cnccc23)C[C@@H]1C 447391219 JARKYQRYLCJUMJ-INIZCTEOSA-N 295.430 3.712 30 20 CHED C[C@H](NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccc(C#N)cc1 448667746 YCCOBWOVDUPRIH-VWPFQQQWSA-N 284.403 3.808 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2csc3ccccc23)C1 442763943 HJPXCLMDNGJDFZ-OCCSQVGLSA-N 270.401 3.726 30 20 CHED CC(C)c1cnc(CN[C@@H](C)c2cccc(C#N)c2)s1 612185446 DFGBGRPNMQEMJA-LBPRGKRZSA-N 285.416 3.989 30 20 CHED C=C1CCN(C(=O)c2cc(SC)ccc2Cl)CC1 264213207 WIBOHVUYFYHCOE-UHFFFAOYSA-N 281.808 3.854 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 448670067 YWOARWIAJGOVFW-SQNIBIBYSA-N 296.414 3.733 30 20 CHED C[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H](C)S1 530939070 NTFRJJKTUUCPNM-STQMWFEESA-N 279.836 3.517 30 20 CHED C/C(=C/c1ccccc1OC(F)F)CNCCCCC#N 352836640 VUZLLDQICKMCQN-QBFSEMIESA-N 294.345 3.975 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCO[C@H](C)CC(C)C)C1 617783361 YVQPTQLBWDXMIV-HZPDHXFCSA-N 281.440 3.642 30 20 CHED C=C(C)[C@@H](CC(=O)NC(C)(C)CC(C)(C)C)OCC 534413567 LCBKKYCPNIPUED-CYBMUJFWSA-N 269.429 3.689 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(OC(F)(F)F)c1 185000778 RWGNKERQARKZIV-UHFFFAOYSA-N 285.265 3.573 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc2occc2c1 617623526 GOSLOQIFCINZLI-UHFFFAOYSA-N 257.333 3.651 30 20 CHED N#Cc1ccc(SCCCOc2ccccc2)nc1 352931616 APGWOROFYPNIFA-UHFFFAOYSA-N 270.357 3.514 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)N1CCC[C@](C)(C#N)C1 612244837 IDAQANYFLVSAJW-RHSMWYFYSA-N 276.424 3.745 30 20 CHED Cc1cc(CSCCOC(C)(C)C)ccc1C#N 447412228 FRWDOCYSWABDGV-UHFFFAOYSA-N 263.406 3.915 30 20 CHED CCO[C@H]1C[C@@H](NCc2cccc(C#N)c2)C1(CC)CC 537297022 KQPVLESHBFDLEP-SJORKVTESA-N 286.419 3.632 30 20 CHED CSc1ccc(C)c(C(=O)N[C@@](C)(C#N)CC(C)C)c1 533877955 QZCDUSVVTHWMDP-MRXNPFEDSA-N 290.432 3.775 30 20 CHED C=CCCOCCN[C@H]1CCCCc2cc(C#N)ccc21 360647530 MXZWHMMPQOGHSW-SFHVURJKSA-N 284.403 3.508 30 20 CHED C[C@@H](C#N)CN(C)c1nccc2cc(C(F)(F)F)ccc12 450258791 SRCNSOQTMNYWKG-JTQLQIEISA-N 293.292 3.849 30 20 CHED CC[C@@H](CC#N)NCc1c(Cl)cccc1OC(F)F 613044485 QYANAECAULVVRG-VIFPVBQESA-N 288.725 3.723 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)c1ccc(F)c2ccccc12 451788118 NZNMKHOUIWBIDP-PZROIBLQSA-N 296.345 3.706 30 20 CHED N#Cc1ccncc1N[C@H]1CCC[C@@H]1c1ccccc1 536706444 ICNIAMNUFZCKSO-CVEARBPZSA-N 263.344 3.701 30 20 CHED CC(C)(C#N)CCCCN1CC[C@H](Oc2ccccc2)C1 365444631 SUOGHFKOSVIGAD-KRWDZBQOSA-N 286.419 3.860 30 20 CHED CC1(C)CCCN(C(=O)C[C@H]2CCc3ccccc32)[C@@H]1C#N 617987524 APHHNMAXVVHQGC-NVXWUHKLSA-N 296.414 3.647 30 20 CHED C=CC(C)(C)C(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1 450295015 UIGJZZPHGAKGQT-CQSZACIVSA-N 289.419 3.544 30 20 CHED CCC1(NC(=O)Nc2cccc(CC#N)c2)CCCCC1 455902723 HJTGCLXWAJSMBO-UHFFFAOYSA-N 285.391 3.987 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CC2(CCC2)Oc2ccccc21 453351694 LYSGJDIDJXVJPW-IKGGRYGDSA-N 299.414 3.756 30 20 CHED CC[C@@H](Nc1ncc(Cl)c(C)c1C#N)C1CCOCC1 612087669 UJDUXYPMRGGBLL-CQSZACIVSA-N 293.798 3.532 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)C[C@@H]2CCCO2)CCCCC1 458227490 RTCNTKCPSHRMDG-GJZGRUSLSA-N 294.439 3.522 30 20 CHED Cc1cc(Cl)c(C(=O)N2CCC[C@](C)(C#N)C2)cc1C 612244615 FJPLACHPWZFBBB-MRXNPFEDSA-N 290.794 3.723 30 20 CHED CC(C)N(CCC#N)Cc1cc(F)cc(Cl)c1 548587378 ITEWQLMPBCFAQX-UHFFFAOYSA-N 254.736 3.603 30 20 CHED CN(c1ccccc1)c1ccc(CNCCCC#N)cc1 612191921 AQAYOWWIPNJWNF-UHFFFAOYSA-N 279.387 3.848 30 20 CHED N#Cc1cccc(-c2nc(-c3cccc4[nH]ccc34)no2)c1 545566067 IRYPQQMHNXVFHJ-UHFFFAOYSA-N 286.294 3.757 30 20 CHED C=C(CC)CNC(=O)c1ccccc1SC(C)C 456831485 UUMRBASYJYKHEQ-UHFFFAOYSA-N 263.406 3.883 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 451220073 WCNGXIGVQIWVNM-RVZJWNSFSA-N 282.387 3.713 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1cccc(F)c1 455527650 VOIUGPCPECIPQP-HNNXBMFYSA-N 276.355 3.638 30 20 CHED C=CCN(C(=O)CCc1cn(C)c2ccccc12)C(C)(C)C 622944325 NLWZXFSVMVGZNP-UHFFFAOYSA-N 298.430 3.924 30 20 CHED C#CCN(C(=O)N[C@@H](C)c1cc2ccccc2s1)C1CC1 274132766 PPGWYLDCDYPHPQ-LBPRGKRZSA-N 298.411 3.770 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCCCc1ccccc1Cl 451683908 SWGDNFJXBGBLAZ-CVEARBPZSA-N 279.811 3.596 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1c1cccc(C)n1 366999273 VBBHGKXTFOQAEX-GOEBONIOSA-N 287.407 3.591 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1c1ccnc(C#N)c1 450593101 ASTCLMKQLYIHTI-QWQRMKEZSA-N 277.371 3.724 30 20 CHED CC#CC(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 277805547 VXQZQTLXGMFCKP-MRXNPFEDSA-N 269.344 3.578 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCCc2c(O)cccc21 360999498 UMBKJRCPHFIOKR-HNNXBMFYSA-N 272.392 3.689 30 20 CHED C=CCC[C@@H](N[C@H](C)c1ccncn1)c1ccccc1 453184069 ZHVDXLOLHZTODQ-RHSMWYFYSA-N 267.376 3.835 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(C2=CCCC2)cc1 458045074 RVZXRUJGHOEYJN-UHFFFAOYSA-N 282.387 3.924 30 20 CHED C=CCn1c(SC[C@H]2C[C@H]3C=C[C@@H]2C3)nnc1C1CC1 629095755 VXMIFRNEBDLBBT-IACUBPJLSA-N 287.432 3.646 30 20 CHED CCCCCCCCNC(=O)N(C)CCc1ccncc1 270215558 YPAALXZILNFVFP-UHFFFAOYSA-N 291.439 3.626 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 462605809 IUORNZCHLMPCII-UONOGXRCSA-N 270.376 3.523 30 20 CHED Cc1ccnc(N2CCC[C@H]2CCC(C)C)c1C#N 542277896 DBEZWFGJWPVKFU-AWEZNQCLSA-N 257.381 3.667 30 20 CHED C[C@@H]1COc2ccccc2CN1CC(C)(C)CCC#N 272935632 LDCPLOJGXVYTQE-CQSZACIVSA-N 272.392 3.599 30 20 CHED C[C@@H](NC(=O)CSCCC(C)(C)C#N)c1cccs1 289315745 AZIYUPHNEWGLLL-LLVKDONJSA-N 296.461 3.598 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[C@@H](F)C2)c1 554431666 OPOPILPAEFNIRC-TZMCWYRMSA-N 292.354 3.654 30 20 CHED Cc1ccc(C)c(OCCN(CCC#N)CC(C)(C)C)c1 554077939 YORKLMNOMUPXLA-UHFFFAOYSA-N 288.435 3.944 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)ccc1OC(C)C 467048702 FKGHTRFJPVNJEW-UHFFFAOYSA-N 281.783 3.775 30 20 CHED CC(C)[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 280701674 WJNIDWFDGLICMG-INIZCTEOSA-N 284.403 3.748 30 20 CHED Cc1cccc(Oc2ccccc2C(=O)NC[C@@H](C)C#N)c1 559775983 YOQKJEDHSBYBRR-AWEZNQCLSA-N 294.354 3.677 30 20 CHED Cc1ccc(-c2noc(-c3ccc(C#N)cc3)n2)c(F)c1 460138925 KAPWCGQWOZFCCY-UHFFFAOYSA-N 279.274 3.723 30 20 CHED Cc1ccc(F)c(C(=O)N[C@](C)(C#N)C2CCCCC2)c1 550350808 DOEXRPKGGQNLJF-QGZVFWFLSA-N 288.366 3.727 30 20 CHED C=CCCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1 466649805 CODIBTNKHLOFSJ-UHFFFAOYSA-N 265.784 3.652 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H]2C=CCCCCC2)n1 550012401 RHZYQAYFGVYDGC-CYBMUJFWSA-N 273.405 3.946 30 20 CHED C#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)cc1 809659278 BTRKRTHRDNLNHO-WGSAOQKQSA-N 261.368 3.704 30 20 CHED C=CCOCCCOc1ccc(Oc2ccccc2)nc1 478830236 YRIRVEDSTWAQHJ-UHFFFAOYSA-N 285.343 3.845 30 20 CHED C=CCOCCCOc1ccc(F)c(C(F)(F)F)c1 478823180 LBXKSNIVZRVMSF-UHFFFAOYSA-N 278.245 3.816 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 476191269 MEKCHSTVHUGLAD-GXTWGEPZSA-N 290.794 3.847 30 20 CHED CCCCN(C)C[C@H](C)/N=C\c1cc(Cl)ccc1O 809144247 ICWFTJHYSFCHCX-NJPLLEPOSA-N 282.815 3.585 30 20 CHED C=CCCOC(=O)c1ccccc1Oc1ccncc1 801499575 AKZZXKUYYINLAE-UHFFFAOYSA-N 269.300 3.607 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1ccc(F)cc1 805696088 VSOGILXGNRBJJH-LBPRGKRZSA-N 263.312 3.904 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)c1ccc(C)c(Cl)c1 290230629 YJSKCUUFKBWOBJ-CQSZACIVSA-N 264.756 3.551 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 297778967 LCVNBSWDCVHNDX-LBPRGKRZSA-N 297.185 3.886 30 20 CHED CC(C)(C)OCCCCOc1ccc(C#N)cc1F 473665147 ILKPWTRHJVDMCJ-UHFFFAOYSA-N 265.328 3.671 30 20 CHED CC1(C)CN(c2nccc(C#N)c2Cl)CC(C)(C)C1 561270815 SJAQJIUXADQDAK-UHFFFAOYSA-N 277.799 3.869 30 20 CHED N#CCCCCCC(=O)NCc1ccc2ccccc2c1 806422758 CYRJFYOBZDCJMG-UHFFFAOYSA-N 280.371 3.930 30 20 CHED N#CC[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 701288968 OHGNQLUTJXTNFU-VLWUPBBWSA-N 294.807 3.567 30 20 CHED N#Cc1ccc(COC(=O)/C=C\c2ccsc2)c(F)c1 804384865 DBVKZMUAFGFPMM-RQOWECAXSA-N 287.315 3.515 30 20 CHED N#CC1(CCn2ccc(-c3nccs3)n2)CCCCC1 564431858 UTJRZXKNAFKWDZ-UHFFFAOYSA-N 286.404 3.871 30 20 CHED C#C[C@H](NC(=O)CCC(C)C)c1ccc(Cl)cc1F 804421404 NIPGUEJVMOJSST-AWEZNQCLSA-N 281.758 3.706 30 20 CHED C#C[C@H](C)N(C)C[C@@H](C)c1ccc(C(F)(F)F)cc1 800381833 KNXGEQCFXAFFSB-NEPJUHHUSA-N 269.310 3.762 30 20 CHED CC(C)n1cc([C@H](C)NCCCCC(C)(C)C#N)cn1 569071273 JDTOWUIKKBXXGG-AWEZNQCLSA-N 276.428 3.835 30 20 CHED C#C[C@@H](CC)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 809686008 HZFDATNPGHHDOL-ZDUSSCGKSA-N 296.197 3.771 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)CCCCCC#N)n1 805891155 LHIOXFMCHIZMKB-LBPRGKRZSA-N 289.404 3.917 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 296536655 SAJHBPIWSWXETD-ZBFHGGJFSA-N 297.402 3.909 30 20 CHED CCc1ccc([C@@H](C)C(=O)OCCCSCC#N)cc1 805441303 PRMHRJASEHRPFE-CYBMUJFWSA-N 291.416 3.543 30 20 CHED C#Cc1ccc(CNc2cnc3c(c2)CCCC3)cc1 809637953 UBFJZNZVRZLFOI-UHFFFAOYSA-N 262.356 3.554 30 20 CHED Nc1ccc(C=NN=C2c3ccccc3-c3ccccc32)cn1 807958576 BDWKSEFFJNDKPV-UHFFFAOYSA-N 298.349 3.516 30 20 CHED CC(=NN[C@@H]1CCSC1)c1cc2cc(Cl)ccc2o1 807999135 GFBDNOLZMHRWSL-GFCCVEGCSA-N 294.807 3.905 30 20 CHED C#Cc1cncc(C(=O)Nc2cccc(-c3ccccc3)c2)c1 805265390 RERVQUUPGWVEKQ-UHFFFAOYSA-N 298.345 3.982 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Oc1c(Cl)cc(C#N)cc1OC 812833035 VAEDHDYMOCLRLG-GHMZBOCLSA-N 293.750 3.562 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C(=O)OCCC)cc1 814101036 GUBAACYVGFFIDW-UHFFFAOYSA-N 289.375 3.794 30 20 CHED C=CCOc1ccccc1CNCc1ccc(SC)o1 641720841 UHQFBHMCMUXYEM-UHFFFAOYSA-N 289.400 3.856 30 20 CHED N#CC1(COC(=O)c2cc(Cl)c(F)cc2Cl)CC1 815503577 VCGBFROMIBONKA-UHFFFAOYSA-N 288.105 3.593 30 20 CHED C=CCNC(=O)CSCc1c(C)ccc2ccccc12 480367629 AQVZWDHSNAVRJP-UHFFFAOYSA-N 285.412 3.684 30 20 CHED CCNc1ccc(C#N)cc1NCC[C@H]1CC1(Cl)Cl 819072406 LDXMRRFQURQOKG-NSHDSACASA-N 298.217 3.986 30 20 CHED C=CC[C@@H](N[C@H](C)Cc1ccc(O)cc1)c1ccncc1 816551594 HPCBCYFAGYBQDB-RDTXWAMCSA-N 282.387 3.625 30 20 CHED N#CCc1ccc(COc2c(F)c(F)cc(F)c2F)cc1 399015710 BZYZNJNZSCYBBR-UHFFFAOYSA-N 295.235 3.888 30 20 CHED Cl/C=C/CON=Cc1ccc(Br)cc1 811669441 DVLXNJGEQGNOHZ-DHJVMLNKSA-N 274.545 3.552 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(SC)cc1 486660439 UJQIIMRWCFLWLN-CYBMUJFWSA-N 276.405 3.981 30 20 CHED Cl/C=C/CON=Cc1ccc(Sc2ccccn2)o1 811669790 USZQHKMLWDIOSW-WTNBNTFPSA-N 294.763 3.929 30 20 CHED N#Cc1cccnc1/C=C/c1cc(Br)cs1 486049323 CDUKDFSAKFRZBM-ONEGZZNKSA-N 291.173 3.948 30 20 CHED CC(C)c1ccc(C=NN[C@@H](C)c2ccncc2)cc1 819815269 ONKMIZQYIZNCJB-AWEZNQCLSA-N 267.376 3.890 30 20 CHED Clc1ccnc(NN=C2CC[C@H]3CNc4cccc2c43)c1 814898943 YNZNAGDYMNTZHL-JTQLQIEISA-N 298.777 3.854 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](c1ncccc1C)C(C)C 488772096 YRCLLDCUWDTXEO-MRXNPFEDSA-N 297.402 3.505 30 20 CHED C#Cc1ccccc1CC(=O)Nc1nc2ccsc2s1 810420013 YDYKPUFQHTVCLB-UHFFFAOYSA-N 298.392 3.520 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1noc(Cc2ccccc2)n1 578939427 ASVBQAJRLGDEAU-UONOGXRCSA-N 285.391 3.666 30 20 CHED CC[C@H](C=NNc1nccnc1Cl)c1ccccc1 814850513 QSRFVXKSLHXSIJ-LLVKDONJSA-N 274.755 3.722 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C1(F)CCCCC1 813479368 GJBLMXYHKHCWQI-UHFFFAOYSA-N 289.354 3.601 30 20 CHED C=C(C)COc1cccc2cc(Br)cnc12 574233705 MTTFOGZLCZMEEI-UHFFFAOYSA-N 278.149 3.952 30 20 CHED FC(F)(F)CNN=C1CC[C@H](Cc2ccccc2)C1 814904514 MNIMUEMAMWOYMT-GFCCVEGCSA-N 270.298 3.537 30 20 CHED C=CCCCCOC(=O)/C=C\SCc1ccco1 811011760 LNMAKRNQTBCGMF-FLIBITNWSA-N 266.362 3.926 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1nccnc1C1CCC1 814932309 VRDFPQFXLPIHTH-ZDUSSCGKSA-N 297.406 3.862 30 20 CHED Cc1cc(C(=O)OC2(CC#N)CCC2)c2ccccc2n1 810858840 NIUBXHUTFGMGMU-UHFFFAOYSA-N 280.327 3.536 30 20 CHED Cc1ccc(OCCN(C)[C@@H](C)c2cccc(C#N)c2)cc1 487557908 KVHAQFGGDHABFS-INIZCTEOSA-N 294.398 3.939 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)C[C@@H]1C 574962737 POARYENSZNWUDV-HIFRSBDPSA-N 296.418 3.674 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3ccc(C#N)c(C)n3)C2)cc1 487756378 CWRYJDLARLDMOU-KSSFIOAISA-N 291.398 3.953 30 20 CHED CCCCCCCCC(=O)Oc1cc(C(N)=O)ccc1C 728841842 VDFKJKVQDXHJAA-UHFFFAOYSA-N 291.391 3.750 30 20 CHED C#Cc1cccc(NC(=S)NNc2cc(C)cc(C)c2)c1 726445557 SAYSQLQRMXXFQD-UHFFFAOYSA-N 295.411 3.598 30 20 CHED C#Cc1cccc(N(CC)C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 728448011 ZLXCWGSVBGGMOG-ZOBUZTSGSA-N 298.455 3.557 30 20 CHED C=CCC1(N[C@H](C)Cc2ccc(Cl)cc2)CCOCC1 657633604 SCLNZXDRGMLLMP-CQSZACIVSA-N 293.838 3.986 30 20 CHED C=CCCc1nc(-c2ccccc2COC(C)C)no1 573051501 NMPPTIZWEAGYFC-UHFFFAOYSA-N 272.348 3.780 30 20 CHED O=C1/C(=C\C2=Cc3ccccc3OC2)Cc2c(F)cccc21 726740739 PEZXSCORCJTZKY-ZROIWOOFSA-N 292.309 3.967 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@H]1CCCCC(F)(F)C1 490749709 DHUSWHBUQNAMCY-ZDUSSCGKSA-N 288.382 3.810 30 20 CHED COc1cc(C#N)ccc1NC(=O)CCCCC(C)C 582711909 KONLTHILWRNKEZ-UHFFFAOYSA-N 274.364 3.722 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCC[C@H]1CC 497610012 LUECFIGZKREDBX-GDBMZVCRSA-N 290.407 3.598 30 20 CHED CC[C@@H]1CN(c2cccnc2C#N)CC[C@@H]1c1ccccc1 589582104 RDUBTXOPDIRYFJ-WBVHZDCISA-N 291.398 3.973 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C[C@@H]2C=CCCC2)cc1 580124453 KJIJGKAWSJXGGV-NVXWUHKLSA-N 282.387 3.676 30 20 CHED CCCN(c1ncccc1C#N)[C@H](C)c1ccccc1OC 498971325 JJRXORZTFDANBS-CQSZACIVSA-N 295.386 3.939 30 20 CHED CC(C)CN(C(=O)[C@H]1CC=CCC1)c1ccc(C#N)cc1 499320616 SYKGAWJXMSZUDA-INIZCTEOSA-N 282.387 3.904 30 20 CHED N#CCOc1ccc(COC(=O)/C=C/C2CCCCC2)cc1 735562758 NIAKVXREFITIGW-DHZHZOJOSA-N 299.370 3.769 30 20 CHED C#CC(C)(C)NC(=O)CCc1ccc(-c2ccccc2F)o1 733979177 SQBYSSALIHOKBT-UHFFFAOYSA-N 299.345 3.546 30 20 CHED COc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1C 582280760 FGVXRMRIYXKIIV-MRXNPFEDSA-N 272.392 3.518 30 20 CHED CC(C)ON=C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 901250218 NGRNNLYZNYMMEY-UHFFFAOYSA-N 296.411 3.579 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(CN(C)C)cc1C 909607271 XRRUVJKBHMSSQI-UHFFFAOYSA-N 286.419 3.764 30 20 CHED CS[C@H](C)CC(=O)N(O)Cc1cccc2ccccc12 900091814 OMXYJYGGMCELJW-GFCCVEGCSA-N 289.400 3.699 30 20 CHED C=C(C)CCNc1ccc(F)cc1OCC(F)F 583837645 UXEQOQUEUASQOO-UHFFFAOYSA-N 259.271 3.848 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(F)cc1 735615561 SWVOEMSSYCKQQF-UHFFFAOYSA-N 264.250 3.940 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1 833310943 ZYBYAPIHUUTJEA-FNORWQNLSA-N 292.743 3.996 30 20 CHED C=CCCC[C@@H](N)c1nc([C@H]2CCc3ccccc3C2)no1 904613991 BYUQZSDUGDRRNP-JKSUJKDBSA-N 297.402 3.698 30 20 CHED Cc1ccc(C=NNc2cc(F)cc(F)c2)cc1F 731486764 VDFIECSQACZUQY-UHFFFAOYSA-N 264.250 3.858 30 20 CHED Cc1ccc(-c2noc(CCCCCC#N)n2)cc1 588321365 RRVPUDXPJXTBOO-UHFFFAOYSA-N 255.321 3.672 30 20 CHED COCCC(=NNc1cccc(C)c1)c1ccc(F)cc1 734744193 FNZRPIJUHSLZLY-UHFFFAOYSA-N 286.350 3.987 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccccc1[N+](=O)[O-] 735615614 VANICQZCANBCKC-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CC(C)(C)C#CC(=O)N1CCC[C@H]1c1ccc(F)cc1 837323911 RIXXQWHQORUWBO-HNNXBMFYSA-N 273.351 3.539 30 20 CHED Cc1ccccc1C1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CC1 839056256 ZUFDNCINBUYIKE-HUUCEWRRSA-N 283.371 3.652 30 20 CHED C#Cc1ccc([C@H](OC(=O)[C@H](C)CC)C(F)(F)F)cc1 836081101 QCLKWKDYTLKLGK-MFKMUULPSA-N 284.277 3.861 30 20 CHED COC(=O)c1ccc(NN=C(C)C2CCCC2)cc1F 835021302 VIDJIZAKUQOYAL-UHFFFAOYSA-N 278.327 3.590 30 20 CHED CC(C)(C)[C@H]1CCCC(=NNc2ccncn2)CC1 835001972 RTQHFSKWCLMPGS-LBPRGKRZSA-N 260.385 3.871 30 20 CHED CC(C)CCOc1ccccc1NC(=O)CC(C)(C)C#N 594082045 YDENJUMLBGORJY-UHFFFAOYSA-N 288.391 3.990 30 20 CHED N#C[C@H](Sc1nnc(C2CC2)s1)c1ccccc1 594895412 KFNZTKPAPPXBGD-NSHDSACASA-N 273.386 3.772 30 20 CHED C[C@@H]1N(C(=O)c2sccc2C#N)c2ccccc2C1(C)C 598276828 UMOXPCJZMRHAIB-NSHDSACASA-N 296.395 3.946 30 20 CHED C=CCN(Cc1cccs1)C[C@@H]1CC1(Cl)Cl 838537212 WQXMFIGFSZVNET-JTQLQIEISA-N 276.232 3.930 30 20 CHED COc1cccc(O)c1/C=N/[C@H](CCC#N)c1ccccc1 747691053 USUXISPJVQLFQB-RBYWHNRPSA-N 294.354 3.865 30 20 CHED CCS[C@@H]1CCCCN([C@H](C#N)c2ccccc2)C1 595312674 LKOPFPXZCJROBS-HZPDHXFCSA-N 274.433 3.859 30 20 CHED Cc1ccc(CCNCc2ccc(C#N)s2)cc1C 594973632 OESDGOUEZCTZOO-UHFFFAOYSA-N 270.401 3.569 30 20 CHED Oc1nc2ccccc2cc1/C=N\Cc1cccc(F)c1 914773716 SURFAGUNLYGKDY-ODLFYWEKSA-N 280.302 3.699 30 20 CHED Cc1c(C(=O)/C=C\c2ccccc2C(C)C)cnn1C 848639918 GCQBBCJPTQPSSZ-KTKRTIGZSA-N 268.360 3.748 30 20 CHED CCC[C@@H](Sc1cccc(F)c1C#N)C(=O)OCC 594898019 MLTBUWQPAVXNEZ-CYBMUJFWSA-N 281.352 3.521 30 20 CHED CC(C)(C)c1ncc(/C=C2/Cc3cc(F)ccc3C2=O)cn1 840718746 ZYOWLWNVIPPVPN-MLPAPPSSSA-N 296.345 3.736 30 20 CHED C#CCCNC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 841584340 HYHIPNZKIZOUDO-KRWDZBQOSA-N 296.414 3.727 30 20 CHED CCOc1cccc(/C=N\[C@@H]2CCCC[C@H]2SC)c1O 844272199 WESZNVZUJFVCQZ-DCFZTUSPSA-N 293.432 3.884 30 20 CHED C=CCCSCCNC(=O)c1cccc(Cl)c1C 597967089 MWRLLHJASGYFTD-UHFFFAOYSA-N 283.824 3.688 30 20 CHED CCCCCCCC(=O)N(CC(C)C)C1CCN(C)CC1 919699475 WVCUXVRVOPRDCO-UHFFFAOYSA-N 296.499 3.926 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1cccc(F)c1)C1CCCC1 593457782 ORIOJSBRVCMRKG-AWEZNQCLSA-N 288.366 3.647 30 20 CHED CC(C)SCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 916848987 QQECHAAHJXVHFU-ZDUSSCGKSA-N 284.384 3.553 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCC[C@H](C)C1)c1ccncc1 741692961 HKDFJFHHNKJBSN-BPUTZDHNSA-N 272.392 3.641 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)CC2(C#N)CCCCC2)[C@H](C)C1 597228120 DKPBBBLOXKIBBS-RBSFLKMASA-N 276.424 3.791 30 20 CHED N#CC1(CC(=O)N2CCC[C@H]2c2ccncc2)CCCCC1 596704793 DNOVVOXPCUUOBS-INIZCTEOSA-N 297.402 3.609 30 20 CHED Cc1ccoc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 598885057 JXKDDJNEWIBJMC-UHFFFAOYSA-N 280.327 3.659 30 20 CHED CC(=NN=C1C[C@H](C)CC[C@@H]1C(C)C)c1cnccn1 745206576 KZMDBYVARUJVNK-TZMCWYRMSA-N 272.396 3.734 30 20 CHED CC(C)(CC#N)COC(=O)c1cccc(C2CC2)c1 847682462 CDPMKSMLFYWDFQ-UHFFFAOYSA-N 257.333 3.661 30 20 CHED Cc1cc(/C=C2\COc3c(cccc3C(C)C)C2=O)nn1C 840716592 MQPOTKAKJRZADQ-UKTHLTGXSA-N 296.370 3.511 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)C1CCCC1 590949874 GUTUNIGSNOMEBO-RDJZCZTQSA-N 291.439 3.681 30 20 CHED CC(C)(CCNC(=O)CC1(C#N)CCCCC1)C1CC1 597700508 KIVNQPAHPWFXEQ-UHFFFAOYSA-N 276.424 3.793 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 682437582 DGSFFFODUYJLIY-NTZNESFSSA-N 277.330 3.778 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(F)ccc2OC(F)F)C1 595422554 ASBLAVWVSSYFTN-HNNXBMFYSA-N 298.308 3.553 30 20 CHED N#CCCCCOC(=O)c1cc(Oc2ccccc2)ccn1 745762268 UYWMMJOEDSLKEC-UHFFFAOYSA-N 296.326 3.725 30 20 CHED C[C@@H](C(=O)OCCC1(C#N)CCCCC1)C(F)(F)F 840238150 ULUYEHHNZVHHIB-JTQLQIEISA-N 277.286 3.592 30 20 CHED CC(C)(CC#N)CSc1nnc(-c2ccccc2F)o1 594881873 PHYGFFDONZRTQH-UHFFFAOYSA-N 291.351 3.908 30 20 CHED CC(C)c1cccc(C(=O)OCc2cccc(C#N)c2)c1N 920557383 DPNVPAJYEHOQTK-UHFFFAOYSA-N 294.354 3.621 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(C)cc2)c1 920943426 IFAFSXDOGSMLOB-UHFFFAOYSA-N 255.317 3.850 30 20 CHED C=CCC[C@H](C)N[C@@H]1COc2c(Cl)cccc21 680467521 PKXWRKIERNVEKS-GXFFZTMASA-N 251.757 3.718 30 20 CHED O=C1C(=C/C=C/c2ccc(F)cc2F)C(=O)c2ccccc21 758018504 XFJMOKQGZATMKW-ONEGZZNKSA-N 296.272 3.984 30 20 CHED CCC(Cc1cccs1)=Nn1cc(Br)cn1 752744550 BRZHRWSDIIXUFS-UHFFFAOYSA-N 298.209 3.564 30 20 CHED C=CCC[C@@H](C(=O)O[C@@H](C)c1nccn1C)c1ccccc1 851575846 RCUUEOBPZGNTKI-GOEBONIOSA-N 298.386 3.774 30 20 CHED COc1ccc(C(=O)/C=C\c2sccc2C)c(O)c1 757473293 VDTMWPWWDQAFIW-WAYWQWQTSA-N 274.341 3.667 30 20 CHED CCCNN=Cc1ccc(Br)cc1SC 755892909 MYACHXYMMQONOR-UHFFFAOYSA-N 287.226 3.505 30 20 CHED N#Cc1cc(COC(=O)C2CCCCCC2)ccc1F 758942077 IDVBCRZCOIDWJO-UHFFFAOYSA-N 275.323 3.711 30 20 CHED ClC1(Cl)C[C@H]1C=NNc1nccc2sccc12 853294380 NQDDLWKGFUEVLN-ZETCQYMHSA-N 286.187 3.888 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC[C@H]1CC1(Cl)Cl 920401941 HCCZSPPTAZWVFR-LLVKDONJSA-N 299.201 3.951 30 20 CHED C[C@@H](NN=Cc1cccc2cccnc12)c1ccccc1 920382479 GVJKVQMNUVEUNE-CQSZACIVSA-N 275.355 3.920 30 20 CHED CCc1ncc(C=NNc2ccc(F)cc2C)s1 750938926 QLMXQLNSJWQVAV-UHFFFAOYSA-N 263.341 3.599 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(N(C)C)c(F)c1 926810850 ASJTVZNMBSYQJG-LLVKDONJSA-N 263.360 3.632 30 20 CHED CO[C@@H](CNc1snc(Cl)c1C#N)C1CCCCC1 853963030 WBGKCKIXYGYZSH-NSHDSACASA-N 299.827 3.675 30 20 CHED Oc1ccccc1/C=N\C[C@H](O)c1cc2ccccc2s1 757528087 SYLQKHGZIDAFKG-PACYTGELSA-N 297.379 3.759 30 20 CHED C#CCN(Cc1cccnc1Cl)[C@@H]1CCc2ccccc21 750855396 DIDQXFOUGZZJAH-QGZVFWFLSA-N 296.801 3.858 30 20 CHED C=CCCC(CC)=NNC(=S)N[C@H]1CCCC[C@H]1C 750921524 KPJMKXJZRDLXFJ-OCCSQVGLSA-N 281.469 3.761 30 20 CHED Cn1cc(C=NNc2ccc(Cl)nc2)c2ccccc21 755753108 GIHJLCJCDDNQCX-UHFFFAOYSA-N 284.750 3.673 30 20 CHED C#CCCCCNC(=O)Nc1ccc2c3c(cccc13)CC2 758524667 RFQCWCKACMITJE-UHFFFAOYSA-N 292.382 3.863 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1cccc(C#N)c1 751134113 IWLHFXNABBPEOF-LBPRGKRZSA-N 261.328 3.567 30 20 CHED CC(CC1CCCC1)=NNc1cnnc2ccccc12 752735036 VFUZEDPIDSJQAQ-UHFFFAOYSA-N 268.364 3.998 30 20 CHED COc1cc(F)cc(NN=C(C)CCc2ccco2)c1 759210804 VCBJPGAGNMEJHH-UHFFFAOYSA-N 276.311 3.848 30 20 CHED C[C@@H]1CC[C@H](CC(=O)O[C@H](C)c2cccc(C#N)c2)C1 759548743 YCBRUNWJQNJBDF-MCIONIFRSA-N 271.360 3.989 30 20 CHED CC(=NOCC(F)F)c1ccc(Br)cc1F 758898923 ANBLJRSZAIVAJO-UHFFFAOYSA-N 296.086 3.594 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 935580564 JLJLHXMEMCVZDV-MNOVXSKESA-N 277.330 3.778 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nnc(C)o2)cc1 933239951 LIFASURNKSGCHS-LBPRGKRZSA-N 285.347 3.586 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1coc(C2CCC2)n1 769621696 LZAPEGDKAQEOBF-UHFFFAOYSA-N 290.363 3.819 30 20 CHED C[C@H](CCSc1ccccc1)OC(=O)C(C)(C)C#N 769998758 VTJZZFFJPVUFKZ-GFCCVEGCSA-N 277.389 3.650 30 20 CHED C=CCC[C@@H](NC(=O)c1cccc(F)n1)c1ccccc1 764898690 OIYHUQUKNHAFLJ-CQSZACIVSA-N 284.334 3.658 30 20 CHED CC(=NNC(=S)Nc1cc(C)ccc1C)C(F)(F)F 761746301 QZZPEWLRNMZCCW-UHFFFAOYSA-N 289.326 3.528 30 20 CHED C=CCC[C@H](O)CN(C)c1ccc2ccccc2c1 760807527 QASFERSIEIZAGQ-KRWDZBQOSA-N 255.361 3.603 30 20 CHED CCCCCCCNC(=O)c1cc(COC(C)(C)C)on1 862356205 DUQGXGDZZBHAOQ-UHFFFAOYSA-N 296.411 3.690 30 20 CHED COc1ccc(F)c(CNc2ccc(C#N)cc2Cl)c1 864009456 UVZNZDYPOQEXGY-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)CC1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 760941136 XCMUCUCCBVNVPV-UHFFFAOYSA-N 298.430 3.776 30 20 CHED N#Cc1ccc(CCc2nnc(-c3ccccc3F)o2)cc1 1117196908 NVGCXUQZEZNRDZ-UHFFFAOYSA-N 293.301 3.533 30 20 CHED Cc1cc(Cl)ccc1C=NNc1ccc(C(=O)O)cc1 767351420 AOMNKRQVRDYYRH-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC(=NNc1cc(C)ccc1F)c1cccc(C(=O)O)c1 764697235 WPKJNRPYBLOGDY-UHFFFAOYSA-N 286.306 3.668 30 20 CHED N#Cc1c(F)ccc(C=NNc2ccccc2F)c1Cl 761781962 MTLHGXIAOMOVBL-UHFFFAOYSA-N 291.688 3.936 30 20 CHED Clc1ccc(NN=CC[C@@H]2CCOC2)c(Cl)c1 765561982 FBVRVSNVTUFORX-SECBINFHSA-N 273.163 3.818 30 20 CHED C=C(Cl)CN1CCC2(CC1)C(C)=Nc1ccccc12 878794885 BLFHXKYYEPZPJA-UHFFFAOYSA-N 274.795 3.879 30 20 CHED CCCCC[C@H](CC)C(=O)NCc1cc(C#N)ccc1F 775757530 HRWLYGSPOTUDBP-AWEZNQCLSA-N 290.382 3.920 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(F)cc2F)c(F)c1 772795714 DNMDKUFIMYACPV-ZZXKWVIFSA-N 287.240 3.872 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)Cc1ccccc1CC#N)C1CC1 776897438 SAKDLSSPEQVZOV-HUUCEWRRSA-N 298.430 3.721 30 20 CHED C=C[C@@H](Cc1nnc(CC(C)C)o1)c1ccccc1 1117246205 DWRPLJVRLLMHQA-ZDUSSCGKSA-N 256.349 3.780 30 20 CHED CCC(=NOCCC(F)(F)F)c1ccc(N(C)C)cc1 777459636 SSKXDXABUHTIOD-UHFFFAOYSA-N 288.313 3.836 30 20 CHED Cc1ccc(F)cc1C(=O)O[C@@H](C#N)C1CCCCC1 776370065 AYIKOHMRQKRLOL-HNNXBMFYSA-N 275.323 3.763 30 20 CHED CC[C@@H](C)N(CC)CC[C@@](C#N)(C(C)=O)c1ccccc1 878884891 OIBMWXBNAZQZIA-CRAIPNDOSA-N 286.419 3.547 30 20 CHED N#Cc1csc(/C=C2\CCc3ccc(F)cc3C2=O)c1 776192945 NGOHRPKSTQGHHS-WUXMJOGZSA-N 283.327 3.971 30 20 CHED C[C@H]1CCc2sc(C(=O)OCCC(C)(C)C#N)cc2C1 776357925 YZHSNIWAKVJHQK-NSHDSACASA-N 291.416 3.970 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(C2CC2)cc1 771551597 DTBYMUYGCNSBGP-AWEZNQCLSA-N 286.419 3.789 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C(C)=C(\C)CC 779853393 FIBAZFAVJIFMJI-CCEZHUSRSA-N 287.403 3.956 30 20 CHED C=CC(C)(C)CC(=O)NCCc1ccc(SC)cc1 879853795 NLDZPHPFJJJGIJ-UHFFFAOYSA-N 277.433 3.670 30 20 CHED O=C1C/C(=C\c2cc(F)cc(F)c2)C(=O)c2ccccc2N1 774142966 TYLRTILJAVCZGL-VZUCSPMQSA-N 299.276 3.573 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCC(O)CC1 775524325 FWSKIBMNXJODGX-HNNXBMFYSA-N 283.456 3.747 30 20 CHED CC#CCCNC(=O)N[C@@H](C)c1csc2ccccc12 776136536 SVMUJWIYAHSWFX-LBPRGKRZSA-N 286.400 3.675 30 20 CHED CC(C)COc1cccc(C(=O)OCCC(C)(C)C#N)c1 776363290 FBNHLIAIRKWYCT-UHFFFAOYSA-N 289.375 3.818 30 20 CHED Cc1ccc(NN=Cc2ccc(Oc3ccccc3)o2)nn1 779776115 LYFVJROGZDHQCZ-UHFFFAOYSA-N 294.314 3.616 30 20 CHED CC(C)c1cnc(NC(=O)[C@H](CC#N)c2ccccc2)s1 1126308869 OILACPYUVFXOJF-CYBMUJFWSA-N 299.399 3.902 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1cc(C#N)ccc1F 1127715903 LRQGXBRUVQOHAX-NSHDSACASA-N 299.301 3.624 30 20 CHED C#CCCCCCC(=O)N1CCCC[C@@H]1[C@H](C)CC 779953080 CWEHVBJZEORKAT-HZPDHXFCSA-N 263.425 3.997 30 20 CHED Cn1ccc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)n1 773153784 NLMYIAIKSMRLCD-VURMDHGXSA-N 293.153 3.549 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@H](CF)C1 882841565 YXCXLQSWVDLMIT-JTQLQIEISA-N 289.741 3.556 30 20 CHED CCC/C(C)=C/C(=O)Nc1ccccc1O[C@@H](C)C#N 780154304 PHYHKCVVKDBPKQ-XSNHNAGMSA-N 272.348 3.662 30 20 CHED CCCCC[C@@](C)(CC)C(=O)NCC(C)(C)C#N 781003443 VJIBHNLABXRJRZ-OAHLLOKOSA-N 252.402 3.649 30 20 CHED CCC/C(C)=C\C(=O)N(CCC#N)C(C)(C)CC 787942191 PKRIADIVJCJJOJ-SEYXRHQNSA-N 250.386 3.664 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 783718769 ROKQPHBXYAPPAG-WBVHZDCISA-N 286.419 3.845 30 20 CHED CC[C@H](C#N)OC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 781127283 YPDYITZMJSEQIZ-OEKQDRQZSA-N 275.392 3.828 30 20 CHED CC1(C)Cc2cc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)ccc2O1 1129731182 QZNYTXAQFSHMOB-DOMZBBRYSA-N 299.370 3.639 30 20 CHED CC1(C)CCC[C@H]1NN=C1CCC2(CCOCC2)CC1 782290077 YVQDGRNJDSSWBB-OAHLLOKOSA-N 278.440 3.882 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(Cl)cc1F 786610316 KPSQPHHWDQUXRC-ZDUSSCGKSA-N 256.704 3.987 30 20 CHED C=C[C@@](C)(CC)C(=O)OCCC(Cl)(Cl)Cl 785754615 SOKVHIKVHJLMJL-VIFPVBQESA-N 273.587 3.892 30 20 CHED Cc1cc(NC(=O)C2(C3CCCCC3)CC2)ncc1C#N 1130289525 KOIYICOTIHCYIV-UHFFFAOYSA-N 283.375 3.561 30 20 CHED C=CCOc1ccc(C=NNC2CCCCC2)cc1OC 786043109 IWPSAJQJNCTECS-UHFFFAOYSA-N 288.391 3.516 30 20 CHED C#CC(C)(C)N(C)Cc1ccc(C(F)(F)F)cc1 787997810 RYCVQBWFKUHDRL-UHFFFAOYSA-N 255.283 3.549 30 20 CHED CC1(C)CCC1=NNc1cccc(C(F)(F)F)n1 789021060 RLXCXOROPLJJDZ-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C#CCC1(C(=O)Nc2ccc(C)cc2OC)CCCCC1 788434199 NSXYAMBIERJXDZ-UHFFFAOYSA-N 285.387 3.916 30 20 CHED C=CCC1(C(=O)OCCc2ccccc2F)CCC1 791805537 VCJTVQKTOWYJDA-UHFFFAOYSA-N 262.324 3.658 30 20 CHED C=CCC[C@@H](C(=O)OCC(=O)C1(C)CC1)c1ccccc1 795598949 VZTHIJYZIYMKIX-OAHLLOKOSA-N 286.371 3.649 30 20 CHED CC[C@H](C)c1ccc(C(=O)Nc2ncc(C#N)s2)cc1 896484054 BIFHOVVYDTVXBX-JTQLQIEISA-N 285.372 3.781 30 20 CHED Cc1ccc(/C=C2/CCc3ccc(O)cc3C2=O)s1 794960001 IFGAHEBDGOOLBI-WQLSENKSSA-N 270.353 3.975 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(Br)s2)C1 397592705 COMVLXHGPBEEEC-SNVBAGLBSA-N 299.237 3.636 30 20 CHED CC(=NNc1ccccc1F)c1coc(C(C)C)n1 799476704 SBJOGTGGTYEFON-UHFFFAOYSA-N 261.300 3.773 30 20 CHED N#CCCCOc1cccc(N[C@H]2CC[C@@H]2C2CC2)c1 554370453 QRHJUZZIQPCUKK-SJORKVTESA-N 270.376 3.970 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccnc(-n2cccn2)c1 793526238 QECGUGROYAQFCO-MRXNPFEDSA-N 298.434 3.882 30 20 CHED CCCCCCCCCN1CCOC2(CCOCC2)C1 192078261 SDGLXTGLRKQKHU-UHFFFAOYSA-N 283.456 3.618 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@H](C)c1cccs1 799442537 OUSGQIVZOANDLT-LLVKDONJSA-N 285.368 3.891 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1 798671227 YUEASTCJUDBUAC-JTQLQIEISA-N 299.292 3.754 30 20 CHED FCC[C@@H]1CCCC1=NNc1ncccc1Cl 794898161 YRYFKGIUIFXDQA-VIFPVBQESA-N 255.724 3.663 30 20 CHED CC(C)N(C)c1ccc(C=NN[C@@H](C)c2ccccc2)cn1 790160189 XVMXTFOAWYRIIF-HNNXBMFYSA-N 296.418 3.611 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(C)c(C)cc2C)no1 791434107 VNGZMNVQQXEKHK-AATRIKPKSA-N 255.317 3.804 30 20 CHED CC1(CNN=Cc2cc([N+](=O)[O-])ccc2Cl)CCCC1 793089005 CJIQTOQOQPDEFX-UHFFFAOYSA-N 295.770 3.752 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NOCC(F)F)C1 799113123 JCHBVNGEIGJXMS-NSHDSACASA-N 268.307 3.685 30 20 CHED C[C@@H]1C[C@H]1C=NNCc1c(Cl)cccc1Cl 793116954 HEFQTGZVTDIQBD-BDAKNGLRSA-N 257.164 3.725 30 20 CHED CCC1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 78834139 GCQPDLUXWRBCDT-UHFFFAOYSA-N 283.297 3.598 30 20 CHED N#Cc1ccc(F)c(CNCc2sccc2Cl)c1 785483291 MVCLDULBMRMXHD-UHFFFAOYSA-N 280.755 3.702 30 20 CHED CCc1nnc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(C#N)c1CC 1306965592 LZLLAXUYKFIYAQ-MELADBBJSA-N 298.434 3.854 30 20 CHED COc1ccnc(CSCc2ccc(C#N)c(C)c2)c1 1320880582 ZGZGYONJZPTOQM-UHFFFAOYSA-N 284.384 3.704 30 20 CHED Cc1cc(F)ccc1-c1nnc(-c2cccc(C#N)c2)o1 1322997862 XTZYBTRJCMWQOK-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C=CCOc1cccnc1-c1nnc(-c2ccccc2C)o1 1322481547 FNYIYHPPJHUPKP-UHFFFAOYSA-N 293.326 3.672 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@@H](C)c1ccc(CC)cc1 1322948274 GFZQYKIATAZYCN-OAHLLOKOSA-N 283.415 3.614 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2c(F)cccc2Cl)C1 1322130588 VZFHIHLRHDJSQY-VXGBXAGGSA-N 280.774 3.694 30 20 CHED CC(Cc1ccccc1Cl)=NNc1ncncc1Cl 1320799348 UOHZXEXGWOQLRZ-UHFFFAOYSA-N 295.173 3.814 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2cccs2)s1 1325202559 FZJMZPXGHHCKND-UHFFFAOYSA-N 283.805 3.959 30 20 CHED CC(Cc1ccccc1Cl)=NOCC(F)(F)F 1253086651 QFDNAJUANYVADG-UHFFFAOYSA-N 265.662 3.837 30 20 CHED CCc1cc2c(N(CC)C[C@H](C)C#N)nc(C)nc2s1 1185583760 LKXBQBSJUGCDCD-SNVBAGLBSA-N 288.420 3.548 30 20 CHED COc1c(C)cnc(CSCCCCC#N)c1C 1337311635 SCLKYFXWIPBBDD-UHFFFAOYSA-N 264.394 3.634 30 20 CHED C[C@H](CNc1cccc(CC#N)n1)Sc1ccccc1 1255095214 FCECIDLEIDXNCP-CYBMUJFWSA-N 283.400 3.740 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)C[C@@H](CC)c1ccccc1 1337580168 FYTBUROUYMFJQD-ZBFHGGJFSA-N 272.392 3.721 30 20 CHED CCc1cnccc1C(=O)/C=C\c1c[nH]nc1C(C)(C)C 1341801505 FARLJCOTOBYQGV-SREVYHEPSA-N 283.375 3.561 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1CCOC(C)(C)C1 1347068322 HMKYLDMKVZSDOA-HNNXBMFYSA-N 287.403 3.949 30 20 CHED C=C[C@@H](C(=O)Nc1cc(C)n(C(C)C)n1)c1ccccc1 1347183883 UXOLAIDWWPLCGF-OAHLLOKOSA-N 283.375 3.681 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(-c2cnn(C)c2)cc1 1344404725 DDPRCVGBHBFDBD-OAHLLOKOSA-N 283.419 3.922 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2csc(C#N)c2)c1 1458564261 ZFWLUPYVDNTUCZ-NSHDSACASA-N 271.341 3.846 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(Cl)cc1NC(C)=O 1520969982 QTSXUJIGAUAJJA-UHFFFAOYSA-N 294.782 3.839 30 20 CHED COc1cccc([C@H](C)C(=O)Nc2cccc(CC#N)c2)c1 1525933760 JXMOVHVWPWYKFL-ZDUSSCGKSA-N 294.354 3.503 30 20 CHED C=CCCOCCN[C@@H]1CCCC[C@H]1c1ccccc1 222445129 RMCMRBNRGFBUQO-ZWKOTPCHSA-N 273.420 3.895 30 20 CHED O=C(O)c1cc(Cl)ccc1C(=O)/C=C/c1cccs1 1602266459 ZKPNKCSNSPMYQJ-GQCTYLIASA-N 292.743 3.996 30 20 CHED C=CCCCCCSc1ccc(-c2nn[nH]n2)cc1F 1602838339 UIHBBPKDKAXTDY-UHFFFAOYSA-N 292.383 3.844 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc2ccccc2cc1C#N 1460852456 OWHNGKDLZDZIBU-UHFFFAOYSA-N 277.327 3.590 30 20 CHED CCc1ccc2c(c1)CCN2c1ccc(C#N)c(C)n1 1472899475 VNFSXOJGXVQPLD-UHFFFAOYSA-N 263.344 3.518 30 20 CHED COc1ccc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)cc1C#N 1536118671 ZUGMCBXDLJUVBX-RYUDHWBXSA-N 286.375 3.578 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Nc1ncc(C#N)cc1F)C2 1472686977 NHCREDFMTWKURO-RBOXIYTFSA-N 273.355 3.719 30 20 CHED Cc1ccc(C(C)(C)CNc2nc(C)cc(C#N)n2)c(C)c1 1559198829 IOCVDBULRRHOMX-UHFFFAOYSA-N 294.402 3.663 30 20 CHED CC(C)CN(CCc1ccccc1)CC1(CC#N)CC1 1559501164 VWHDKIPVLRKGKA-UHFFFAOYSA-N 270.420 3.881 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(F)c1C#N 1636705908 RVUCDCDKBZNVFK-OLZOCXBDSA-N 288.366 3.644 30 20 CHED CN(C(=O)Nc1cc(C#N)c(F)cc1F)c1ccccc1 1563202720 UVYYIVMKSCGVFB-UHFFFAOYSA-N 287.269 3.505 30 20 CHED N#Cc1cnc(S[C@@H]2CCOc3ccccc32)c(F)c1 1639614399 JRUZKIUVEFXWGH-CQSZACIVSA-N 286.331 3.708 30 20 CHED CCc1ccc(Nc2cc(C)c(C#N)cn2)cc1C 1655283697 XWERJMUZADMOAC-UHFFFAOYSA-N 251.333 3.876 30 20 CHED CCC1(CC)[C@H](Nc2nccc(C)c2C#N)[C@@H](C)[C@H]1OC 1651699490 RWKYEMIPRFJMAR-BPLDGKMQSA-N 287.407 3.513 30 20 CHED CCCC[C@@H]1CCC[C@@H]1Nc1ncc(C#N)cc1F 1651485220 NSSHXXJTWYVAHN-OCCSQVGLSA-N 261.344 3.863 30 20 CHED CCCCCCCOc1ccc(C(=O)O)cc1C=O 1595708974 OHJFVCFLMLXLSA-UHFFFAOYSA-N 264.321 3.547 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)Nc1cc(C#N)ccc1F 1596936025 AZCNMGSFDMGLJR-UHFFFAOYSA-N 295.317 3.531 30 20 CHED C[C@H]1C[C@@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 123450391 HQFHABBOABGZER-ZJUUUORDSA-N 268.282 3.812 30 20 CHED C=CCC[C@H](NCc1ccc2ccccc2c1C)C(=O)O 1776167125 ZCAQYKFEKWFOMP-KRWDZBQOSA-N 283.371 3.657 30 20 CHED N#Cc1cn(C/C=C\c2ccccc2)c2ccccc2c1=O 206208270 FXZULFRYUXAMQG-TWGQIWQCSA-N 286.334 3.587 30 20 CHED C=CCC[C@@H](NC(=O)N(C)CCC)c1ccccc1 160372215 AISPLORYOUQFEX-OAHLLOKOSA-N 260.381 3.745 30 20 CHED Cc1ccccc1CN(C)Cc1ccc(C#N)s1 160525441 BIXMYHXDMPQACG-UHFFFAOYSA-N 256.374 3.560 30 20 CHED COC(=O)[C@@H](Sc1ccc(C#N)cc1Cl)C(C)C 163302414 FVQLTECFZCKETH-LBPRGKRZSA-N 283.780 3.501 30 20 CHED C=C(Br)CN[C@@H](C)C(C)(C)c1ccccc1 167346503 NRMOKMXNLNUJKK-LBPRGKRZSA-N 282.225 3.851 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C1(C)CCCCC1 153420056 CGGBCSZFSLDSDM-CYBMUJFWSA-N 286.375 3.886 30 20 CHED N#Cc1csc(CN2CC[C@@H](Cc3ccccc3)C2)c1 155101998 YWSFSYBJAIVFFB-HNNXBMFYSA-N 282.412 3.684 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)c1 209181421 XRKRAFLNLDKYHG-YFHOEESVSA-N 266.296 3.589 30 20 CHED N#Cc1cccc(Br)c1SC[C@@H]1CCCO1 865726044 JQRPSQVKDTVLQO-JTQLQIEISA-N 298.205 3.592 30 20 CHED COc1cc(C#N)ccc1NCc1ccc(F)c(Cl)c1 129965721 JQCIGAWSFYOSTL-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCCOc1ccc(OCc2cccc(C#N)c2)cc1 20304830 VYLDSMZEKGTKQH-UHFFFAOYSA-N 267.328 3.926 30 20 CHED N#Cc1cnc2ccccc2c1NC[C@@H]1CC=CCC1 45647562 KOHJBDPTKVNMPJ-CYBMUJFWSA-N 263.344 3.875 30 20 CHED CCN(Cc1cccc(C#N)c1)c1ccccc1F 50011876 YCEZAKPQSMTXSQ-UHFFFAOYSA-N 254.308 3.724 30 20 CHED CCCCCCCC(=O)NCc1ccc(C#N)c(F)c1 404574703 NLBPYAPWUUUYOG-UHFFFAOYSA-N 276.355 3.674 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1O 309546672 HAXIXPJHINWEKN-HTQZYQBOSA-N 260.164 3.924 30 20 CHED N#Cc1ccc(CNC2(C(F)F)CCCCC2)c(F)c1 510126982 JCHYQXULBZMRLZ-UHFFFAOYSA-N 282.309 3.755 30 20 CHED CCOc1ccc(Nc2ccc(C#N)c(C)n2)cc1F 312504005 RBCFELMYUIWASI-UHFFFAOYSA-N 271.295 3.543 30 20 CHED CC[C@@H](O)[C@@H](CC)Nc1ccc(C(F)(F)F)cc1C#N 313114925 PCBWSNBKHQQQRP-DGCLKSJQSA-N 286.297 3.538 30 20 CHED Cc1nc(Oc2ccc3c(c2)CCC3)ccc1C#N 336814056 WHGBPPYZJKXITL-UHFFFAOYSA-N 250.301 3.543 30 20 CHED CCCCCCCCCCCC(=O)N1C[C@H](C)[C@@H](O)C1 387784731 JIIXOZYVQALFOK-HOTGVXAUSA-N 283.456 3.747 30 20 CHED CC(C)c1ccc(CN2CCC(CC#N)CC2)cc1 397230029 PYIPIVIBPPNLIN-UHFFFAOYSA-N 256.393 3.936 30 20 CHED N#CCc1ccc(CNc2cc(F)c(F)c(F)c2)cc1 399219335 KBRWNKAAABKDJO-UHFFFAOYSA-N 276.261 3.782 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC2(C(F)F)CC2)n1 619499196 NEDFZHMHKFJUKR-UHFFFAOYSA-N 279.334 3.708 30 20 CHED C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C#N 107345957 OMMAJGQPFDVOLH-SECBINFHSA-N 299.201 3.590 30 20 CHED COc1cc(C(=O)/C=C/c2ccc(F)c(C)c2)ccc1O 103717331 PDEFQYGGIUKOGU-QPJJXVBHSA-N 286.302 3.744 30 20 CHED C#CCCCN[C@@H]1CCSc2ccc(Cl)cc21 178056477 XONFLRKPKBHOGV-CYBMUJFWSA-N 265.809 3.880 30 20 CHED C#CC[C@H](OC(=O)c1ccc(Cl)cc1)c1ccccn1 105549322 LXRBVWZQZWNZPT-HNNXBMFYSA-N 285.730 3.656 30 20 CHED CCC1(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CCC1 176101510 BQUQBLVMFYGMFS-LLVKDONJSA-N 268.316 3.584 30 20 CHED CN(C)c1nc2ccc(NCC(C)(C)CCC#N)cc2o1 119889265 HKKDALJUZYOOIG-UHFFFAOYSA-N 286.379 3.636 30 20 CHED CCOCc1ccc(CNc2nc(C)cc(C)c2C#N)cc1 26775620 VAAIMOMKQRLZSG-UHFFFAOYSA-N 295.386 3.719 30 20 CHED N#CCC1(COC(=O)c2ccc(C(F)(F)F)cc2)CC1 174746819 HMZMQHXNQGPZNM-UHFFFAOYSA-N 283.249 3.556 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1oc(C)cc1C 175382494 CNVOHUHFUDBLIQ-UHFFFAOYSA-N 275.373 3.786 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)[C@@H](C)C1CCCCC1 178005616 LJAKVCQFRPWQEB-KGLIPLIRSA-N 276.424 3.791 30 20 CHED C=CCOCCCC(=O)N(C)c1ccc(C)c(Cl)c1 173426488 ACPZGIRHVZSUHA-UHFFFAOYSA-N 281.783 3.594 30 20 CHED C=CCOc1cccc(CN(C)Cc2scnc2C)c1 179426762 UFJFXGJXFFXMDN-UHFFFAOYSA-N 288.416 3.648 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccc(Cl)n1 112184268 KQSVHXPZFLEJAI-UHFFFAOYSA-N 292.810 3.944 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc(Cl)c(C#N)n1 302519917 YSUYYQUWUHZODC-GXTWGEPZSA-N 293.798 3.612 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2cccc(C#N)n2)C1 301332587 AWWUISKZYAUVDP-GJZGRUSLSA-N 277.371 3.644 30 20 CHED CN(C(=O)[C@@H]1CC=CCC1)c1cc(Cl)ccc1C#N 176433475 XTCJUOUJOFMIQQ-LLVKDONJSA-N 274.751 3.531 30 20 CHED CCCCCCCS(=O)(=O)Cc1cccc(F)c1 164456246 FUZBJVLKLKRCTF-UHFFFAOYSA-N 272.385 3.711 30 20 CHED C[C@@H]1OCC[C@@H]1SCC#Cc1cccc(Cl)c1 163878074 UXTPHFTTXLOOQR-FZMZJTMJSA-N 266.793 3.602 30 20 CHED N#CCOc1cccc(CN[C@H]2CCCC23CCCC3)c1 1347666172 JNUDZNOONVXODK-KRWDZBQOSA-N 284.403 3.791 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(C#N)cs1 177071857 RWPKGZBYGJLNET-SWLSCSKDSA-N 296.395 3.638 30 20 CHED C=C[C@H](CC(=O)N1CCc2sccc2C1)c1ccccc1 179398883 UYSUCDSEPKZKTA-CQSZACIVSA-N 297.423 3.993 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1\Cc2ccc(F)cc2C1=O 176410476 AOSBOBCUFAISSK-YRNVUSSQSA-N 284.334 3.669 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(N2CCCC2)cc1 176948563 NHIUEIZZWAFUEA-UHFFFAOYSA-N 298.430 3.671 30 20 CHED N#Cc1ccc(N2CCC3(CCC3)C2)c(C(F)(F)F)c1 301645445 PBQSPMLYQCULAR-UHFFFAOYSA-N 280.293 3.957 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2ncccc2[N+](=O)[O-])cc1 120474539 BQYDWXXFQIWJHX-CYBMUJFWSA-N 299.355 3.525 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1Nc1ccc(Cl)c(C#N)n1 302519919 YSUYYQUWUHZODC-JSGCOSHPSA-N 293.798 3.612 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C2CC=CC2)CC1 187304438 XVRQTWXJKKQAJW-UHFFFAOYSA-N 274.408 3.567 30 20 CHED Cc1cc2occ(C(=O)O[C@@H]3CC[C@@H](C#N)C3)c2cc1C 187537890 UNWDSKWCFYUCPD-CHWSQXEVSA-N 283.327 3.899 30 20 CHED CC(C)C(=O)Nc1cccc(NCc2ccccc2C#N)c1 73601185 HGIFQTNVRYRDGF-UHFFFAOYSA-N 293.370 3.765 30 20 CHED CC[C@@H](Nc1ncccc1C#N)c1ccc(C)cc1 72521795 SNBVIRBTJCGRHN-OAHLLOKOSA-N 251.333 3.825 30 20 CHED Cc1cc2cc(C(=O)OCC(C)(C)C#N)oc2cc1C 187628054 QEZNEQDNFZEAPM-UHFFFAOYSA-N 271.316 3.756 30 20 CHED Cc1nc(N[C@@H](C)c2ccc(C#N)cc2)c(Cl)cc1C#N 314981975 XSGDOGJVQLHENI-JTQLQIEISA-N 296.761 3.960 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@H](C)C[C@@H](C)C1 508802978 UVSGZOJYCUMOMN-HUUCEWRRSA-N 296.418 3.613 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(N(C)C)c1 187711254 BQLDFOUWNJYZJI-HNNXBMFYSA-N 293.414 3.817 30 20 CHED CC[C@H](C#N)Sc1nnc(C[C@H](C)c2ccccc2)o1 127162825 SJTFIQKLHMDOSX-WCQYABFASA-N 287.388 3.810 30 20 CHED CCC[C@H]1CCCCN1C(=O)c1cccc(CC#N)c1 183909330 ZMPZRBLHDYHRMY-INIZCTEOSA-N 270.376 3.547 30 20 CHED CC(C)CCO[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 187693617 AZAKHUFCOAWVRC-MAUKXSAKSA-N 286.419 3.756 30 20 CHED C=C(C)CN(C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 181282509 YVUDQTQGAVATRO-OAHLLOKOSA-N 288.435 3.953 30 20 CHED CCCC1CCC(NC(=O)Cc2ccc(C#N)cc2)CC1 70158913 NKKAAFWCOFUNMF-UHFFFAOYSA-N 284.403 3.576 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccccc1OC1CCCC1 185212128 IZFUARBXVVMABO-UHFFFAOYSA-N 299.414 3.674 30 20 CHED Cc1occc1CN[C@H](CCC#N)c1ccccc1 414363167 VEFUHGOJMUFUMV-MRXNPFEDSA-N 254.333 3.723 30 20 CHED C=C(C)CCSc1nc2ccccc2c2nc(C)nn12 505654733 ASEUPPSKZMCLJB-UHFFFAOYSA-N 284.388 3.644 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 507216156 XDYCECWKTOXBNT-UHFFFAOYSA-N 288.753 3.983 30 20 CHED Cc1ccc(C#N)c(NC[C@H]2CCCCC(F)(F)C2)n1 488425861 BYSWNHSPDJCVSW-LBPRGKRZSA-N 279.334 3.889 30 20 CHED N#CC1(COc2ccc(NC(=O)c3ccco3)cc2)CCC1 418765107 PBOUFGZCNWVLDN-UHFFFAOYSA-N 296.326 3.605 30 20 CHED C=CCN(C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 121505249 LBAUBZSPVSWJSD-SNVBAGLBSA-N 277.755 3.569 30 20 CHED C=CCOc1ccc(Br)cc1N[C@@H](C#N)CC 414162340 DCVGDPZLEGVCMF-LLVKDONJSA-N 295.180 3.728 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416748071 FYWKLPALCOIJPL-ZDUSSCGKSA-N 272.392 3.843 30 20 CHED CCn1c(-c2cccc(C#N)c2)nc2ccc(F)cc21 182238710 DXAQBLXVEVBSGR-UHFFFAOYSA-N 265.291 3.734 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc(OC(F)F)cc1 414171384 UVEODRIVRGWKLL-NSHDSACASA-N 282.334 3.878 30 20 CHED Cc1cc(CNc2cc(F)cc(F)c2)ccc1C#N 443984928 FVAWROJDVXBBKE-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=CCC[C@@H](CC)NCC[C@](C)(O)c1ccccc1 187924490 XWFAHXPWYXJRIN-SJORKVTESA-N 261.409 3.619 30 20 CHED N#Cc1c(F)cccc1OC/C=C\c1ccccc1 211508113 BUYFEUYGDHDMTD-YVMONPNESA-N 253.276 3.790 30 20 CHED CCCC[C@H](C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416091848 AVNMJSAVJSLZIV-SUMWQHHRSA-N 284.403 3.878 30 20 CHED CC[C@H](CC#N)NC(=O)CCc1ccc(C(C)C)cc1 183868642 ABJYNTYCXTYWFP-MRXNPFEDSA-N 272.392 3.551 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(C(F)(F)F)c1 136165602 XUGBLNRZXDMEDL-LBPRGKRZSA-N 270.254 3.584 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Nc1cc(C)ccn1 184067196 WLJSJNVEJPOPKN-UHFFFAOYSA-N 295.386 3.653 30 20 CHED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 185775612 SSKBNCUWPLMZKH-GDBMZVCRSA-N 256.393 3.636 30 20 CHED CC(C)(CC#N)CN[C@H](c1ncc[nH]1)C1CCCCC1 414161045 DZWUOKIPQZCUTB-AWEZNQCLSA-N 274.412 3.561 30 20 CHED C[C@H](/N=C(/O)c1ccc2c(c1)N=C(O)C2(C)C)c1ccon1 328998480 GCUMQJWMXHPUKZ-VIFPVBQESA-N 299.330 3.620 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@@H](CC)CC(F)(F)F 413740800 NRAQKFSYKSRHEJ-NWDGAFQWSA-N 292.345 3.715 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 502551322 KEZPTYYTBXBNCN-NXEZZACHSA-N 264.756 3.832 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(Cl)c(SC)c1 413946397 PGBCOKSCEDCHAI-SNVBAGLBSA-N 299.823 3.982 30 20 CHED CC1(C)CC[C@H](C(O)=Nc2cccc(C3CC3)n2)O1 329276442 KHVRDENNYWWZNH-GFCCVEGCSA-N 260.337 3.505 30 20 CHED C=CCN(C(=O)c1ccc(Br)c(C)c1)C(C)C 135495415 FGYMTMALXHHSAH-UHFFFAOYSA-N 296.208 3.794 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(NC(=O)C2CC2)c1 134924160 AJBHJVKRQJRLGL-QGZVFWFLSA-N 286.375 3.576 30 20 CHED C=CCNC/C(C)=C/c1ccccc1C(F)(F)F 501383194 RFEGQZVEIFVLLG-PKNBQFBNSA-N 255.283 3.884 30 20 CHED N#CC1(COc2cccc(NC(=O)c3ccco3)c2)CCC1 418887402 DCFBQTCGVUNNNV-UHFFFAOYSA-N 296.326 3.605 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 48417647 SKLXHQTZKANNNJ-XBXARRHUSA-N 289.237 3.769 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2ccc3scnc3c2)CCC1=O 328935765 FPXCUEXCFKWNTJ-VHSXEESVSA-N 288.372 3.890 30 20 CHED Cc1cc(N[C@H](C)c2cccc(C#N)c2)ccc1[N+](=O)[O-] 49840543 WZWSVCQGLCZSED-GFCCVEGCSA-N 281.315 3.948 30 20 CHED C=CCSCc1cc(C(=O)OC)ccc1Cl 511921718 WECUFOIQANDFSM-UHFFFAOYSA-N 256.754 3.546 30 20 CHED C[C@@H]1C(O)=Nc2cc(/C(O)=N/[C@@H]3C=CCCC3)ccc2N1C 329810506 QSOHISZVEZDMBP-DGCLKSJQSA-N 299.374 3.526 30 20 CHED CC(C)(C#N)CCNc1ccccc1Br 83637849 UCNMPFGIYVVLEJ-UHFFFAOYSA-N 267.170 3.801 30 20 CHED C=CCOc1cccc(NC(=O)C2=C(CC)OCCC2)c1 190026510 XNTJQFOSDUFOHU-UHFFFAOYSA-N 287.359 3.664 30 20 CHED CC(C)(C#N)C(=O)Oc1ccc(Sc2ccncc2)cc1 195409657 NSAGTVCXEICVGX-UHFFFAOYSA-N 298.367 3.688 30 20 CHED N#Cc1cncc(NC2CCC(c3ccc(F)cc3)CC2)n1 420616549 SLDMFZAIYHKMOM-UHFFFAOYSA-N 296.349 3.626 30 20 CHED Cc1ccnc(CS[C@H](C)c2ccc(C#N)cc2)n1 339417605 SQPLPMGGLJUHIY-GFCCVEGCSA-N 269.373 3.651 30 20 CHED CC[C@@H](C#N)OC(=O)C1CCC(c2ccccc2)CC1 84712170 ZWWJDHXNGBYYOF-GPANFISMSA-N 271.360 3.806 30 20 CHED CCO[C@H]1C[C@H](NCCCC(C)(C)C#N)C12CCCC2 514757775 AZFXCIJZZCPBNN-GJZGRUSLSA-N 278.440 3.644 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2c(F)cccc2F)c1 334225510 AYAFCMSLUXMEFA-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCC[C@@H]1C(C)C 337877729 VTZZIKJQUQDJDZ-MRXNPFEDSA-N 270.376 3.517 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2ccc(Cl)cn2)CC1 338909196 GNNGHMRINDWJKU-LLVKDONJSA-N 278.783 3.659 30 20 CHED CCCc1nc(C)c(CNC2(c3cccc(C#N)c3)CC2)o1 428319584 GMZWSMLCUZYEIR-UHFFFAOYSA-N 295.386 3.586 30 20 CHED CN(C(=O)CC1(C)CCCCC1)c1ccccc1C#N 338034287 BDSYONSTSGLIFE-UHFFFAOYSA-N 270.376 3.882 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 424648853 XAIBTNMIHXHGTN-OAHLLOKOSA-N 287.403 3.613 30 20 CHED COc1cc(CN2CCC(C#N)CC2)cc2ccccc12 336226423 QQOROIUEUQLDGW-UHFFFAOYSA-N 280.371 3.584 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1SCCc2ccccc21 424719542 YRXFJZGYFUPWNI-OAHLLOKOSA-N 289.444 3.736 30 20 CHED CCC1CCC(C/N=C(/O)NCc2cnc(C)s2)CC1 330477181 IKGOXAIDHAVIRO-UHFFFAOYSA-N 295.452 3.672 30 20 CHED Cc1nnccc1N/C(O)=N/CC(C)(C)C1CCCCC1 330144269 ZNAHYKDRGWZSIF-UHFFFAOYSA-N 290.411 3.717 30 20 CHED Cn1cc(CNc2cccc(-c3nccs3)c2)cc1C#N 232314816 HRGDTZULAYDNBV-UHFFFAOYSA-N 294.383 3.632 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(C#N)c(Br)c1 383381784 FZHPHCUAGCSPMX-SECBINFHSA-N 295.180 3.695 30 20 CHED COc1ccsc1CN(CCC#N)CCC(C)C 93100816 VHZQCBHIRLAAKG-UHFFFAOYSA-N 266.410 3.518 30 20 CHED C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)C1CC1 91208478 UAVIXPAYQAVPCQ-VIFPVBQESA-N 276.405 3.902 30 20 CHED CC(C)c1ncc(/C(O)=N/C2CCC(C(=N)O)CC2)s1 331344472 ZXIZPTDSFXNTAP-UHFFFAOYSA-N 295.408 3.665 30 20 CHED Cc1c(Oc2snc(Cl)c2C#N)cccc1[N+](=O)[O-] 92620447 RFVZECGYZZJWHZ-UHFFFAOYSA-N 295.707 3.677 30 20 CHED C=CCCCN1CCN(CCCC=C)[C@H]([C@@H](C)CC)C1 510414226 RRWDXBIZDMTNEE-ROUUACIJSA-N 278.484 3.951 30 20 CHED Cc1nc(-c2ccccc2)sc1NC(=O)[C@]1(C#N)C[C@@H]1C 334622542 UISPIBLPFNSSQS-QFYYESIMSA-N 297.383 3.607 30 20 CHED Cc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1 433123708 WKFOLVSCMREJND-INIZCTEOSA-N 278.355 3.706 30 20 CHED Cc1cccc2c(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)coc12 332358851 WDSNMKIWPOQZOP-KPZWWZAWSA-N 296.370 3.944 30 20 CHED C=CC(C)(C)C(=O)N1Cc2ccccc2C2(CCC2)C1 334819611 QUDBMTJNGYFMEQ-UHFFFAOYSA-N 269.388 3.663 30 20 CHED C[C@H](C#N)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 434420812 IDVZVHRWWZJZGD-ABAIWWIYSA-N 290.794 3.847 30 20 CHED C=CCC[C@@H](NCCCN1CCc2ccccc2C1)C1CC1 439085625 NKIIPQSCLLWFKK-HXUWFJFHSA-N 298.474 3.769 30 20 CHED Cc1ccc2c(c1C)OC[C@H]2Nc1c(C#N)cccc1C#N 436406766 RSTKWNWCRPUEAD-MRXNPFEDSA-N 289.338 3.592 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccc(O)cc1 96766227 WXNYDNZGTWPJEY-WAPJZHGLSA-N 260.239 3.567 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)[C@H]1c1ccccc1 245779279 UASXJRFDGXDFIG-MLGOLLRUSA-N 268.385 3.813 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2[nH]c(C)cc(=O)c2c1 430209348 WOHHSEOSSCIPRF-UHFFFAOYSA-N 296.370 3.543 30 20 CHED COc1cccc([C@@H]2C[C@@H](C)CN2c2cccc(C#N)n2)c1 343427577 GAGVFRTZIZWQGA-DYVFJYSZSA-N 293.370 3.549 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)cc1 248121901 XXIIROPDIKIUHY-GOSISDBHSA-N 290.366 3.844 30 20 CHED CC(C)[C@@H]1N(C(=O)c2ccccc2CC#N)CC12CCCC2 601622998 VHILMKXHPPGPMC-KRWDZBQOSA-N 296.414 3.793 30 20 CHED N#Cc1cnc(N2CC[C@@H]3CCC[C@H]32)c2sccc12 601148972 CMXQJRJCPZBIRA-GXFFZTMASA-N 269.373 3.547 30 20 CHED C=CCN(CCC#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 430089725 LEWFLBLCIDEPDM-ZWKOTPCHSA-N 268.404 3.898 30 20 CHED N#CCC1(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 602918443 WPMCCQJJUCTCEP-AWEZNQCLSA-N 290.357 3.838 30 20 CHED C=CC[C@H](C)NCc1ccc(C)c(Br)c1 163052136 WJLTYHHDBSSMHU-NSHDSACASA-N 268.198 3.812 30 20 CHED Cc1cc(CNc2cc(C#N)ccn2)c2[nH]c(C)c(C)c2c1 340014164 KIBYUXRXSNHPHI-UHFFFAOYSA-N 290.370 3.972 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C)nc2OCC)n1 340777885 QDLGDGUYBSWRSB-UHFFFAOYSA-N 287.363 3.692 30 20 CHED Cc1ccc(NC(=O)CSCCC(C)(C)C#N)cc1F 342016629 IWNRPRNPMZTGJH-UHFFFAOYSA-N 294.395 3.746 30 20 CHED Cc1csc(NC(=O)N2CC(c3ccccc3)C2)c1C#N 603011846 TWWXBMKOXQGBQJ-UHFFFAOYSA-N 297.383 3.560 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1 437220251 LUZIDSKOWNNAAJ-LZLYRXPVSA-N 287.403 3.660 30 20 CHED CCC(C#N)(CC)C(=O)NCc1csc2ccccc12 528013515 QUXMLPFALRSLQY-UHFFFAOYSA-N 286.400 3.847 30 20 CHED C[C@H](C(=O)NCC(C)(C)CCC#N)c1ccc(Cl)s1 345889764 QIMAYWLSPSNQNQ-JTQLQIEISA-N 298.839 3.951 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1cccs1 255383272 SXKPZQRNTZVKFX-SREVYHEPSA-N 250.269 3.922 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 528126826 XYYLYWGTZSGMNR-JCURWCKSSA-N 287.378 3.632 30 20 CHED CCCC(=O)Nc1ccc(C/N=C\c2ccccc2O)cc1 255132311 CWNDVFDCHBZCDR-UYRXBGFRSA-N 296.370 3.750 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccnn1-c1ccccc1 348206053 KNSSNPOJSAAOGJ-HNNXBMFYSA-N 296.418 3.853 30 20 CHED Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(C)c1O 255588270 LSQBTJKZIHQAFR-NTMALXAHSA-N 292.338 3.533 30 20 CHED C=CCCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 606896063 RBLSVPBGKKHIIZ-OAHLLOKOSA-N 254.377 3.923 30 20 CHED C[C@H](NC(=O)NC[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 604430294 UEZLLLYUEOGNBE-JKIFEVAISA-N 299.418 3.745 30 20 CHED Oc1ccccc1C=Nc1ccc(N2CCSCC2)cc1 255563192 DEKGUHISHUMYJA-UHFFFAOYSA-N 298.411 3.696 30 20 CHED CCc1noc(-c2ccc(C)c(NC[C@@H](C)CCC#N)c2)n1 602495595 GEQMVVBFALOXSX-LBPRGKRZSA-N 298.390 3.959 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)C[C@H](CC#N)c1ccccc1 356814810 JPWKKUIEQOYPSH-HYVNUMGLSA-N 284.403 3.721 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)OC(C)(C)C2)CCCCC1 448806960 VXHSQZANKONKIR-AWEZNQCLSA-N 279.424 3.539 30 20 CHED Cc1cccc(OCCCNC[C@H](C)CCC#N)c1C 602640348 NBCRUDIYOMCSHR-CQSZACIVSA-N 274.408 3.602 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccc(F)cc1F)C1CC1 602442098 UREWNSBYMDNCDU-LBPRGKRZSA-N 278.346 3.869 30 20 CHED Clc1cccc(CON=Cc2cccs2)c1 250109577 HNYIGUAOFWZKNM-UHFFFAOYSA-N 251.738 3.952 30 20 CHED CCN(C(=O)NCCCCC#N)[C@@H](C)c1ccc(F)cc1 352352832 OGVJHVVTXLYPFH-ZDUSSCGKSA-N 291.370 3.612 30 20 CHED C=CCN(C(=O)c1cc(F)c(Cl)cc1Cl)C1CC1 357944174 JHBATUHXYTXJHY-UHFFFAOYSA-N 288.149 3.923 30 20 CHED C=CCCCN1CCCN(Cc2ccc(Cl)cc2)CC1 605149791 SAHDZLXIUORMOF-UHFFFAOYSA-N 292.854 3.814 30 20 CHED C=C(CC)CN[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl 449735374 QMZAIMLQMICUBT-ZDUSSCGKSA-N 294.826 3.921 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OC(C)(C)C)cc1 449939851 OXJXJCNPYFJNSV-UHFFFAOYSA-N 297.358 3.624 30 20 CHED C=CCOCCCC(=O)N(C1CC1)[C@@H](C)c1ccccc1 266275947 IWPRMHQDSFKKPV-HNNXBMFYSA-N 287.403 3.721 30 20 CHED C=CCCC1(C(=O)N2CCS[C@@H]3CCCC[C@H]32)CC1 356377969 AAENETZVDSNTNP-ZIAGYGMSSA-N 279.449 3.619 30 20 CHED CC(C)N(Cc1cnc2ccc(C#N)cn12)C1CC(C)(C)C1 449781464 IJKLBCJTTVPVHQ-UHFFFAOYSA-N 296.418 3.605 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCc1ccc(C#N)cc1F 533309190 MYLLRQMXZSLFEE-VXGBXAGGSA-N 260.356 3.612 30 20 CHED C=CCCSCc1nc(-c2ccc(OCC)cc2)no1 610092080 JATLUMISRGLBDU-UHFFFAOYSA-N 290.388 3.945 30 20 CHED C[C@@H](Nc1cccc(C[S@@](C)=O)c1)c1cccc(C#N)c1 611483030 PQYTVSAOYGVCPX-LRTDBIEQSA-N 298.411 3.610 30 20 CHED CC1(C)CCC(CNC(=O)NCC(C)(C)CCC#N)CC1 354713920 WLGYZUJEMWCAFK-UHFFFAOYSA-N 293.455 3.832 30 20 CHED CCC(C)(C)C1CCC(NC(=O)[C@]2(C#N)C[C@@H]2C)CC1 448597370 XIPZRQYPOLZSHC-VWLISTAJSA-N 276.424 3.647 30 20 CHED CC(C)CN(Cc1nccs1)c1ccc(C#N)cc1 441225753 FEMUZZWWOXCRKT-UHFFFAOYSA-N 271.389 3.677 30 20 CHED C=CCCCC[C@H](C)NCCc1csc(C)n1 449070932 GBYSGDQMYJRJPF-LBPRGKRZSA-N 252.427 3.719 30 20 CHED CN(Cc1ccc(C#N)cc1)CC(C)(C)c1ccccc1 611410519 CBVIFFAWLQDPOI-UHFFFAOYSA-N 278.399 3.968 30 20 CHED C=C[C@H](SCc1ccc(C(F)(F)F)cc1)C(=O)OC 619689338 HXPNDSJADJIZMU-NSHDSACASA-N 290.306 3.666 30 20 CHED Cn1c(CSc2ccc(C#N)cc2F)nc2ccccc21 356059399 PPUIUXIWFNKPJG-UHFFFAOYSA-N 297.358 3.876 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 355354397 REDFBVXVIHVKKR-UHFFFAOYSA-N 298.390 3.823 30 20 CHED C=CCC1(NC(=O)c2cc[nH]c2CCC)CCCC1 619112212 WYVIAWNYWFMFMX-UHFFFAOYSA-N 260.381 3.586 30 20 CHED C[C@@]1(c2ccccc2)CCCN(CCCC#N)CC1 352187873 VJBGKSQJGPPUKG-QGZVFWFLSA-N 256.393 3.734 30 20 CHED C=CCCCOC(=O)COc1ccccc1C(F)(F)F 261470431 VPNHAPFUVZLTCF-UHFFFAOYSA-N 288.265 3.594 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1ccc(C)cc1 268180435 SSWXVQLQGLJJDL-UHFFFAOYSA-N 257.377 3.722 30 20 CHED C=C[C@H](CC(=O)N(CC)[C@@H](C)CC)c1ccccc1 616978588 AAVXUFKUFFKJCK-LSDHHAIUSA-N 259.393 3.993 30 20 CHED C[C@@H](NCC(C1CC1)C1CC1)c1ccc(C#N)c(F)c1 537409730 ZGURVNQIADTTDJ-LLVKDONJSA-N 272.367 3.784 30 20 CHED Cc1nc(N[C@H](C)c2cncc(F)c2)c(Cl)cc1C#N 360051041 MEVKGAWFMTUADQ-SECBINFHSA-N 290.729 3.622 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1cccc(C)c1 455514972 AVQCRLWVMVCLEZ-MRXNPFEDSA-N 272.392 3.808 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@@H](NCC2(CC#N)CC2)C1 366967581 YOEVVUDGMUUBHV-HZPDHXFCSA-N 283.419 3.700 30 20 CHED CC(C)CN(C[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 450524133 LUIJJHPDULCJLN-KBAYOESNSA-N 284.403 3.588 30 20 CHED CCC1(CC)CN(Cc2cccc(OCCCC#N)c2)C1 459595319 LYHCPJLMWWORFO-UHFFFAOYSA-N 286.419 3.991 30 20 CHED CCCN(CCC)Cc1c(C#N)c(C)nn1-c1ccccc1 610657091 NILSUZVNCAPWCY-UHFFFAOYSA-N 296.418 3.674 30 20 CHED CC[C@@H]1CCc2nc(NC(=O)CC(C)(C)C#N)sc2C1 278277460 PRMHIQJCPZSVFD-SNVBAGLBSA-N 291.420 3.536 30 20 CHED C/C(=C/c1ccccc1)CN1CCC[C@](C)(C#N)C1 612406757 SLZQNHPKUHVTHW-JBXOJTMHSA-N 254.377 3.716 30 20 CHED CC(C)N(CCCc1ccncc1)Cc1ccc(C#N)cc1 360443657 FZLVVXRJTNMXIY-UHFFFAOYSA-N 293.414 3.796 30 20 CHED CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 453417042 UJJCYWLRZUFDQF-CSMYWGQOSA-N 290.382 3.696 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(OCC(C)C)c1 276260332 FPRKQYUKQSDPIN-UHFFFAOYSA-N 276.380 3.761 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@]2(CCSC2)C1 454812124 PMFPZDLDMRAFGM-GDBMZVCRSA-N 296.480 3.660 30 20 CHED C=CCCCCNC(=O)CCc1ncc(-c2ccccc2)o1 274632503 PFUWSZSSNXKWBF-UHFFFAOYSA-N 298.386 3.747 30 20 CHED C=CCCC(=O)N(c1cnc2ccccc2c1)C(C)C 279710007 OBZLYJYQYAYXGQ-UHFFFAOYSA-N 268.360 3.942 30 20 CHED C=C[C@H](CC(=O)NCc1cnc(C)cc1C)c1ccccc1 456826020 ACXASGDZCCYXON-MRXNPFEDSA-N 294.398 3.675 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 274517982 ZIVKOECWXJKAFU-OLZOCXBDSA-N 279.330 3.541 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)c(OC(F)F)c1 276202426 YVRGJUKEABWFFL-UHFFFAOYSA-N 284.306 3.636 30 20 CHED C=CC[C@@H](C)[C@H](C)NCC(C)(C)c1ccc(C)cn1 624112613 DUNPNNPEQDCHQV-CABCVRRESA-N 260.425 3.858 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)C(C2CC2)C2CC2)c1 456005556 PJMCBLZROJTICX-UHFFFAOYSA-N 283.375 3.519 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1 540524618 GPLARLYKPUUTDN-HUUCEWRRSA-N 275.392 3.623 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCCc2sccc2C)c1 455960664 XKMNKTYOINYNMV-UHFFFAOYSA-N 299.399 3.601 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CCCC)C(C)C 621989541 MLHGXOMHUMWKKL-PMPSAXMXSA-N 281.440 3.546 30 20 CHED CCC(CC)(CC)CNC(=O)[C@H](C)c1cccc(C#N)c1 462190423 PMDGEDKLPHIJMV-CQSZACIVSA-N 286.419 3.994 30 20 CHED CCC[C@@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 273394109 KUUOIJRBXWFVJO-MRXNPFEDSA-N 270.376 3.547 30 20 CHED C[C@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1F 274372376 WSZMGXLDTKUULP-SJKOYZFVSA-N 290.382 3.764 30 20 CHED C=CCCCCCN(C)Cc1ccc(C(=O)OC)s1 466966860 JWJZNTUMQQEIJO-UHFFFAOYSA-N 281.421 3.713 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(N2CCCC2)c1 620864808 OYOONSPIYYIZAU-UHFFFAOYSA-N 286.419 3.761 30 20 CHED CC#CCCCC(=O)Nc1nc2cc(F)c(F)cc2s1 466865952 DYJUELMHACUWJV-UHFFFAOYSA-N 294.326 3.707 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2conc2C2CC2)cc1 280678701 CFOIJSZOKDZGJU-UHFFFAOYSA-N 295.342 3.605 30 20 CHED C[C@H](C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 461909390 JSXGAOAWICVCGI-USJZOSNVSA-N 296.414 3.604 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C)C(F)(F)F)c1ccccc1 289971323 CULDNIZSQPWPDD-YPMHNXCESA-N 285.309 3.803 30 20 CHED CC[C@H](C)CSCC(=O)Nc1ccc(C#N)c(Cl)c1 464800854 YMDAACXFQLEANZ-JTQLQIEISA-N 296.823 3.929 30 20 CHED COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1O 289849063 RANYWXRWRLWRRY-OLZOCXBDSA-N 296.370 3.684 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(-c2ccccc2Cl)o1 465118701 XRKNWMVJQLDDSF-SNVBAGLBSA-N 275.735 3.904 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC(F)(F)c1ccccc1 462231555 XGZWIGIEAZHZRV-CQSZACIVSA-N 294.345 3.529 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)C[C@H]1C 460802600 HEKWVBOKNYOZPL-BFHYXJOUSA-N 276.428 3.602 30 20 CHED CCOC(=O)CCCCCSc1cccc(C#N)c1 468652104 GCQHUYNAFCNBFO-UHFFFAOYSA-N 277.389 3.774 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C 374250444 SUVNRLSTFRSOAT-FUHWJXTLSA-N 283.415 3.975 30 20 CHED Cc1cc(OC(=O)c2nc(C(C)C)oc2C)ccc1C#N 289399796 KVZMLEMNWQGTJQ-UHFFFAOYSA-N 284.315 3.506 30 20 CHED C=CCCn1nccc1-c1ccc(F)c(Cl)c1 555406848 DABCGOLCVXPFKZ-UHFFFAOYSA-N 250.704 3.919 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H](C)CCC 553084628 SMOAQYVRZGPAKW-AWEZNQCLSA-N 293.407 3.503 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(F)(F)F)nc2C)n1 285135859 NSPLKGGDOCIMRS-UHFFFAOYSA-N 297.280 3.968 30 20 CHED CCc1ccc([C@@H]2CCN(C(=O)[C@](C)(C#N)CC)C2)cc1 554410764 VEBVHELDEIMIMN-AEFFLSMTSA-N 284.403 3.505 30 20 CHED C=CCC[C@H](NCc1cc(COC)on1)c1ccccc1 297700470 QLLGWCMKMVRPAJ-KRWDZBQOSA-N 286.375 3.618 30 20 CHED C=CC[C@@H](C(=O)N(CC)CC1CCC1)c1ccccc1 478279072 KXIGEYJGIKLPNO-QGZVFWFLSA-N 271.404 3.995 30 20 CHED FCCC[C@H]1CCCC1=NNc1cnc2ccccc2n1 800811753 HYBIDKJZUHDTLF-GFCCVEGCSA-N 286.354 3.948 30 20 CHED CC[C@@H](Nc1nc(C)c(C#N)cc1Cl)c1ccncc1 292617988 NJHKOSJECZGYMA-CQSZACIVSA-N 286.766 3.873 30 20 CHED Cc1cc(COC(=O)C2(C(F)F)CCCC2)ccc1C#N 808647226 XSWKEOGMAFLPHW-UHFFFAOYSA-N 293.313 3.735 30 20 CHED N#Cc1cccc(OCCCN2CC[C@H]2c2ccccc2)c1 477272252 GWQOHFCJKLCNDH-IBGZPJMESA-N 292.382 3.774 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(CC1CC1)C1CCC1 562027808 VRYUBMQDIUKCSX-ZDUSSCGKSA-N 288.439 3.747 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)[C@H](C)c1ccccc1 472775995 VTXRDRNWIVFOJP-GJZGRUSLSA-N 274.408 3.834 30 20 CHED CCCCc1ccc(C(=O)/C=C\c2cn(C)cn2)cc1 800792975 JKZXKVVJQUYTCW-KHPPLWFESA-N 268.360 3.659 30 20 CHED CC1(C)C[C@@H](OC(=O)CCCC#N)c2ccccc2O1 291883163 WAHYDBHJVGHKCZ-CQSZACIVSA-N 273.332 3.526 30 20 CHED N#CCSCCCOC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 805570650 QKUKZLAKHGSGMC-SOUVJXGZSA-N 295.448 3.783 30 20 CHED Cc1cccc(CN(CCC#N)Cc2ccco2)c1F 294587080 RGXFCAXVSVYUSG-UHFFFAOYSA-N 272.323 3.643 30 20 CHED C#C[C@@H](NC(=O)NC(CC)CC)c1ccc(Cl)cc1F 804870631 FRJDAIGRZJZXLV-CQSZACIVSA-N 296.773 3.641 30 20 CHED C#C[C@@H](NC(=O)N(C)Cc1ccccc1Cl)C(C)(C)C 808317496 UFYYQUUMCNCHKZ-CQSZACIVSA-N 292.810 3.529 30 20 CHED OC[C@@H](NN=C1CC[C@@H](c2ccccc2)C1)c1ccccc1 814919051 FZODHRBTJXMWFX-IEBWSBKVSA-N 294.398 3.633 30 20 CHED C#CC[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 815083539 QTHKFTABRYGPEQ-IBGZPJMESA-N 292.426 3.915 30 20 CHED N#Cc1ccc(N2CC[C@H](C3CC3)C2)c(C(F)(F)F)c1 487169530 GSJBKYKCGZOPIY-LBPRGKRZSA-N 280.293 3.813 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2ccc(F)cc2nc1C 488827962 BGRLNAPFCVJULR-OAHLLOKOSA-N 298.361 3.863 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@H](C)c1ccccc1F 488874240 DGNYPECUOMKFJW-KBPBESRZSA-N 275.367 3.886 30 20 CHED CCc1cccc2c(C=NOC/C=C\Cl)c[nH]c12 811670578 WDHJRVKWPPPFPY-HKWHNATCSA-N 262.740 3.833 30 20 CHED C=CCN(C(=O)NCCCc1cccc(Cl)c1)C1CC1 560855022 NPGTYWVMXHAMOS-UHFFFAOYSA-N 292.810 3.633 30 20 CHED C[C@H]1C(=NNc2cccc(Cl)c2F)CC[C@H]1CC(=O)O 814818708 FVVWFWIQQPUBTK-BDAKNGLRSA-N 298.745 3.768 30 20 CHED C=CCC(F)(F)C(=O)OCCC(Cl)(Cl)Cl 815312696 FVWJIRPZRUKCKB-UHFFFAOYSA-N 281.513 3.501 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(/C=C/C)cc1 487969279 PKGWKSVVESKIAE-PMGBHYCQSA-N 286.419 3.945 30 20 CHED Cc1cc(/C=C2\Cc3ccc(C#N)cc3C2=O)ccc1F 811693852 LIBHRYGVGQSUBF-VIZOYTHASA-N 277.298 3.828 30 20 CHED CCCCCCC[C@@H](C)CNCc1n[nH]cc1C 810134966 ZUXOJSCAIBSVPZ-CYBMUJFWSA-N 251.418 3.804 30 20 CHED C=CCC1(NCc2coc3ccccc23)CCOCC1 657633158 IZNSTZIKGKWUCJ-UHFFFAOYSA-N 271.360 3.648 30 20 CHED C[C@@H](SCc1cccc(F)c1C#N)C(=O)OC(C)(C)C 488263511 NHSLKUKYAOPRAW-SNVBAGLBSA-N 295.379 3.661 30 20 CHED Fc1cc(F)cc(C2CC(=NO[C@@H]3CCCCO3)C2)c1 814888060 WOQXPFJTEYJBBK-JOPIAHFSSA-N 281.302 3.741 30 20 CHED CO[C@H]1C[C@H](c2ccccc2)CCC1=NOCC(F)F 814903869 FMXBTAFPYBRFIJ-OCCSQVGLSA-N 283.318 3.607 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 656543676 FUJLLNUWUJZBOY-LBPRGKRZSA-N 262.328 3.646 30 20 CHED C#CC[C@@H](NC(=O)C1(F)CCCCC1)c1ccccc1 810751279 YAANAMJHIRYXJG-OAHLLOKOSA-N 273.351 3.540 30 20 CHED C=CCCCCNc1nnc(-c2ccc(OC)cc2)o1 656470829 IMIDCPLSYCBJMU-UHFFFAOYSA-N 273.336 3.513 30 20 CHED CC(C)c1cnc(C=NNc2cnc3ccccc3n2)s1 814829931 PLMOTYNKKRMPLU-UHFFFAOYSA-N 297.387 3.656 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCCCc1ccccc1F 480782399 XJKBPWDEENMILA-UHFFFAOYSA-N 299.305 3.650 30 20 CHED C=C(C)CN(C)[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1 652430538 KYSUNZUUODLEII-LBPRGKRZSA-N 288.174 3.627 30 20 CHED CCC[C@@H](Cc1ccccc1)/N=C\c1cccc(O)c1O 727781342 JWXJCWPGRZYJBG-UEIJICEPSA-N 283.371 3.928 30 20 CHED C=C(C)CN(C)C(=O)NC1CC(C)(C)CC(C)(C)C1 488004340 GHMQICKJYPCIJV-UHFFFAOYSA-N 266.429 3.809 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1nccc2ccccc12 811699835 XQIKMYOKIVCXTP-VURMDHGXSA-N 293.297 3.976 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC[C@@H]1CCCF 811667803 DIJUIVHRPFMGRB-HUUCEWRRSA-N 292.398 3.949 30 20 CHED C#CCN(C(=O)CCc1ccccc1C)C1CCCCC1 728823018 XYBUANJNAUJWMB-UHFFFAOYSA-N 283.415 3.722 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cc(Cl)cc(Cl)c1 811221829 QFSUBYZPUWZZIC-ZDUSSCGKSA-N 286.158 3.976 30 20 CHED C#CC[C@H](NC[C@]1(C)CC1(Cl)Cl)c1ccccc1 828687459 KVGXFULXACKULB-KBPBESRZSA-N 282.214 3.925 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(OCCC)cc1C)C(C)C 821542130 QHIGLQNABBVHGL-OAHLLOKOSA-N 288.391 3.563 30 20 CHED CC(C)c1nc(CSc2cccnc2C#N)cs1 578205436 QGESEIVTKQJLPH-UHFFFAOYSA-N 275.402 3.825 30 20 CHED CC(C)COc1c(Br)cccc1CC#N 575877345 VWPCVBWYSKRJCB-UHFFFAOYSA-N 268.154 3.550 30 20 CHED COc1cccc(NN=C2CCc3c(C)cccc32)c1 729144386 ZRXKCMJGSVJHCH-UHFFFAOYSA-N 266.344 3.766 30 20 CHED C=CCCCCN1CCCC[C@H]1c1nccn1CC 578835373 OKJPWXRCCSXCKG-HNNXBMFYSA-N 261.413 3.786 30 20 CHED C=CCC1(C(=O)NCc2ccnc(Cl)c2)CCCCC1 823622454 SEQWMJMXJVLGAJ-UHFFFAOYSA-N 292.810 3.878 30 20 CHED C#CCCCOC(=O)c1ccccc1-c1ccccc1C#N 727040999 QMSIMWMRLVBXDN-UHFFFAOYSA-N 289.334 3.795 30 20 CHED Cc1cccc2[nH]c(CN(CCC#N)CC(C)C)cc12 824503269 RDPDIORSMURRCD-UHFFFAOYSA-N 269.392 3.848 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccccc1C#N 588618402 QSJKQQPWCOXUKX-CLFYSBASSA-N 265.287 3.902 30 20 CHED CC[C@H](CC#N)OC(=O)c1coc2c(C)cccc12 820767228 SRYBJADUHBNGBE-LLVKDONJSA-N 257.289 3.590 30 20 CHED CC(C)C#CC(=O)Nc1cc(Cl)ccc1NC1CC1 829439914 HRKGXTFGIOQTBJ-UHFFFAOYSA-N 276.767 3.512 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)c1nc(C)cs1 669049006 JGDVPIDKPQCAPE-CYBMUJFWSA-N 280.437 3.760 30 20 CHED C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1F 903427131 DZTNZXMNAIFMPH-KZULUSFZSA-N 295.361 3.894 30 20 CHED N#Cc1cccc2c1CCN2C(=O)c1cccc(C2CC2)c1 581951819 NZQDDVQQOBPFHB-UHFFFAOYSA-N 288.350 3.639 30 20 CHED CC(C)(C)Oc1cccc(/C=C2/CCn3ccnc3C2=O)c1 901534072 GZAIVWJVTFJHGG-KAMYIIQDSA-N 296.370 3.730 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cccc(N2CCNC2=O)c1C 494478162 UZSOYNUECQYAKH-OCCSQVGLSA-N 287.407 3.537 30 20 CHED CC(=O)Nc1ccsc1C=NNc1ccc(Cl)cc1 735409031 PIVGPPGFTCMQRK-UHFFFAOYSA-N 293.779 3.806 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 826982490 XTXWNBSVOOGKTJ-HUUCEWRRSA-N 269.429 3.524 30 20 CHED C#CCOc1ccc(CNC[C@@H](C)c2ccccc2)cc1 733323020 JKANUJKAIBVOIY-MRXNPFEDSA-N 279.383 3.592 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1nc2ccccc2s1 735102306 FTVNEODGUBDKAD-GHMZBOCLSA-N 289.404 3.621 30 20 CHED CC[C@H](C)N(C(=O)CCCCCC#N)[C@H](C)CC 588957186 MKSCPKPTPICTGQ-OKILXGFUSA-N 252.402 3.886 30 20 CHED N#CCCCC(=O)Nc1ccc(Cl)c2ncccc12 589744585 VXWDXYOUQJJLBK-UHFFFAOYSA-N 273.723 3.521 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(C)c(F)c2)no1 583804699 XGGOMQHXAXIPNG-UHFFFAOYSA-N 283.306 3.839 30 20 CHED CCc1nocc1/C=C/C(=O)c1cc(C)c(F)c(C)c1 834425336 PUWJHKDFBGLMNS-AATRIKPKSA-N 273.307 3.889 30 20 CHED N#CC1(CCN[C@H](CCO)c2cccs2)CCCCC1 839553707 ZOXMIYWIHOVCLQ-CQSZACIVSA-N 292.448 3.625 30 20 CHED Cc1ccc(/C=C2/Cc3c(O)cccc3C2=O)cc1F 731489359 DRKUSRNMKPVZCZ-GHXNOFRVSA-N 268.287 3.662 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C 737036516 CETFTYOFGZNZEL-ZDUSSCGKSA-N 280.799 3.826 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cncn1C(C)C 901476399 BSLUXVZPBWWEHE-SREVYHEPSA-N 299.330 3.577 30 20 CHED Cc1csc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1 835209843 JLCXRNCLMSUCLH-CQSZACIVSA-N 285.368 3.596 30 20 CHED CCCNC(=S)Nc1ccccc1SC[C@H](C)C#N 730954978 QLLGTDYSYFUDBJ-LLVKDONJSA-N 293.461 3.635 30 20 CHED C=C(CNC(=O)[C@H](C)c1cccc(OC)c1)c1ccccc1 672483059 PAOBOFNEWBUIOA-OAHLLOKOSA-N 295.382 3.628 30 20 CHED CO[C@@](C)(C=NNc1c(C)cccc1Cl)C1CC1 835011146 NJNIZDWXOPEEDS-AWEZNQCLSA-N 266.772 3.861 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)cc1C 834895062 XBDMHRGQZUYKCR-WQVCFCJDSA-N 263.356 3.518 30 20 CHED Cc1c(NC(=O)C[C@H]2CCCC[C@@H]2C)ccc(C#N)c1C#N 582414131 SBFYEIOOWKVENB-GXTWGEPZSA-N 295.386 3.893 30 20 CHED Cc1cccc2c1CCN([C@H](C)c1ccc(C#N)cc1)C2 735670403 DNVIGECFPRDORC-OAHLLOKOSA-N 276.383 3.986 30 20 CHED C#CCC1(C(=O)Nc2cncc(Cl)c2C)CCCCC1 833142151 OKGHWSZXDPXFGO-UHFFFAOYSA-N 290.794 3.956 30 20 CHED N#CCCCCCc1nc(Cc2ccccc2Cl)no1 588320737 RSGIBIWZUJXFFI-UHFFFAOYSA-N 289.766 3.940 30 20 CHED C=CCONC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 837048833 YMTZKVNSRKWWRA-UHFFFAOYSA-N 296.370 3.576 30 20 CHED O=C(C#CC1CC1)N(Cc1ccc2ccccc2c1)C1CC1 837362993 TYHIUUXHMRCCEV-UHFFFAOYSA-N 289.378 3.744 30 20 CHED C=CC(C)(C)COC(=O)C[C@@]1(C)CC1(Cl)Cl 835722104 NOBAKUYUTMHWSN-NSHDSACASA-N 265.180 3.716 30 20 CHED COc1ccc(CNN=Cc2cc3ccccc3o2)cc1 917546842 AVZFIJQFAAGCLQ-UHFFFAOYSA-N 280.327 3.565 30 20 CHED CC(C)(C)[C@H](NCCc1ccc(C#N)cc1)C(F)(F)F 595423253 KRIVLTCYYLMUQY-ZDUSSCGKSA-N 284.325 3.667 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 835037191 PDODLSVBOBVKHE-RDBSUJKOSA-N 295.386 3.956 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1ncc(C(C)(C)C)o1 747695542 XLZLAFPCUXICGU-VXGBXAGGSA-N 295.379 3.558 30 20 CHED Cc1cc(C)c(NC(=O)N(C)CC(C)(C)C#N)c(Cl)c1 590104166 SKCMACIWVIVLDK-UHFFFAOYSA-N 293.798 3.970 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C\c1cc(OC)ccc1O 749930734 MWCQHCQZGHDXGG-KNODJDPOSA-N 293.432 3.884 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1ccc2c(c1)CCO2 915986909 IPLNTSREGRPNIT-KTAJNNJTSA-N 286.277 3.796 30 20 CHED CCC(C#N)(CC)C(=O)N(C)C/C(C)=C\c1ccccc1 599826231 SYYNPGRGMRANOV-QINSGFPZSA-N 284.403 3.878 30 20 CHED Oc1ccc2ccccc2c1/C=N\CC[C@H]1C[C@H]2CC[C@H]1O2 840712487 YYQWSMJQRYQEHV-RPYSNBSWSA-N 295.382 3.922 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(C)c(F)c1 742376453 TXLQNQIBONUGNG-UHFFFAOYSA-N 287.309 3.897 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc([N+](=O)[O-])cc1 743450754 PRVGDHYNUOVEPI-CYBMUJFWSA-N 277.368 3.877 30 20 CHED COc1ccc(CCC(C)=NNc2nc(C)cc(C)n2)cc1 916241256 PXJFVBXLFQQVRM-UHFFFAOYSA-N 298.390 3.523 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)C1[C@H]2CCCCCC[C@H]12 596745302 QKKAEARSFAMRMT-IRXDYDNUSA-N 296.414 3.733 30 20 CHED C[C@H]1CN(c2cnccc2C#N)CCc2ccc(Cl)cc21 593493518 UYJITJGPZGYTTC-LBPRGKRZSA-N 297.789 3.773 30 20 CHED C=CCCSCCNC(=O)Nc1ncc(C(C)C)s1 596873593 YWFIJGUPHAWTJJ-UHFFFAOYSA-N 299.465 3.697 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1nc(Cl)c(C#N)s1 841225477 QROXDRWHRFNWHN-RKDXNWHRSA-N 297.811 3.823 30 20 CHED COc1cc(CN2CCC[C@@H](CC#N)C2)ccc1SC 595615913 UNBDGPRFNCLSGU-ZDUSSCGKSA-N 290.432 3.543 30 20 CHED FC(F)(F)c1cccnc1NN=Cc1ccccc1 915051400 SKJBTZIDIYPYHS-UHFFFAOYSA-N 265.238 3.546 30 20 CHED C=C(Br)CN1CC[C@H](C)[C@@H]2CCCC[C@H]21 919647825 TWQTXMNVVKCUOM-WCFLWFBJSA-N 272.230 3.796 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1(c2ccccc2Cl)CCC1 594084944 RCYDYAILTOAKCN-GFCCVEGCSA-N 290.794 3.522 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CC1=CCCCC1 748933966 DZHJSHPSCQCOFY-UHFFFAOYSA-N 269.344 3.800 30 20 CHED C#CC1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1 843706058 GZVCSPTUIHYASK-UHFFFAOYSA-N 295.338 3.557 30 20 CHED C[C@@H](CSc1ccccc1)N(C)c1ccc(C#N)cn1 593481767 OMZSJRATSSCOTM-ZDUSSCGKSA-N 283.400 3.570 30 20 CHED C=CCN(C(=O)N[C@H](C)Cc1ccccc1Cl)C(C)C 918080576 STOHZUKLNDCOKS-CYBMUJFWSA-N 294.826 3.877 30 20 CHED C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)c2ccccc21 915634263 BKSAIISKTFMOAM-PLSXKVAHSA-N 288.350 3.722 30 20 CHED CCCC[C@H](C(=O)NCC1CCC(C#N)CC1)C(C)C 598720015 PIKSLRAWLMVOTO-GPANFISMSA-N 278.440 3.895 30 20 CHED C=CCOC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl 744042107 IEDXBECFYVMZEV-UHFFFAOYSA-N 295.766 3.667 30 20 CHED Cc1ccc(-c2noc(N3CCC(CCC#N)CC3)n2)cc1 591956743 MUJUOLWDZDRMBS-UHFFFAOYSA-N 296.374 3.565 30 20 CHED CCc1cccc2c(C=NOCc3cccnc3)c[nH]c12 746576399 JFNAUAKWHVJLDO-UHFFFAOYSA-N 279.343 3.676 30 20 CHED C=C(C)CNC(=S)Nc1ccc(CSCC)cc1 840812528 OLOBTBRDVUWGHP-UHFFFAOYSA-N 280.462 3.802 30 20 CHED Clc1ccc(NN=Cc2ccc3c(c2)CCO3)cc1 917530497 KANDTNQZHNUFBW-UHFFFAOYSA-N 272.735 3.721 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)CC[C@H]1C 685544485 XPKHIQFVGYACGJ-ZIAGYGMSSA-N 290.455 3.678 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccccc1OC(C)C 682415673 PESMBKUNDQLUOJ-CQSZACIVSA-N 290.407 3.752 30 20 CHED CCCc1ccc(CCCC(=O)NCC2(C#N)CCC2)cc1 592808112 MVNHPTMZYZDKPP-UHFFFAOYSA-N 298.430 3.772 30 20 CHED CC(=NNCc1cccc2cccnc12)c1ccsc1 749098654 DTVHMRIHOMWGLO-UHFFFAOYSA-N 281.384 3.810 30 20 CHED C=CCCCOC(=O)c1cccc2ccc(C)nc12 741385964 HXGGHWWSAKETNZ-UHFFFAOYSA-N 255.317 3.666 30 20 CHED CCCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C(C)(C)C 593990311 CXZLFQGACVABBN-CQSZACIVSA-N 286.419 3.774 30 20 CHED CCC(C#N)(CC)C(=O)N(C)C[C@H](C)c1ccccc1 599286346 ICCHCGDQDJUKLI-AWEZNQCLSA-N 272.392 3.578 30 20 CHED C#CC1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 843709252 YOKKLFRTEBEKLW-UHFFFAOYSA-N 299.389 3.509 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1N1CCCCCC1 593396065 IQJBQIXHVKDBFW-CQSZACIVSA-N 285.391 3.555 30 20 CHED CCC1(C(=O)Nc2nc(Cl)c(C#N)s2)CCCC1 841224648 TUUCHTPWXRYOLA-UHFFFAOYSA-N 283.784 3.577 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@H](C=C)CC 929695295 DMGZEUGMZBSTQL-CYBMUJFWSA-N 263.406 3.865 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 755997506 TVQKGGQHVFEHLG-SECBINFHSA-N 291.328 3.931 30 20 CHED C=C[C@@H](C)NC(=S)Nc1ccc(SC(F)F)cc1 756796882 LXWJECOKVDYUPK-MRVPVSSYSA-N 288.388 3.862 30 20 CHED COc1cccc(OC)c1C=NNc1ccccc1Cl 755471460 JNCMTWHSJKEMOO-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)ccc2F)C12CCC2 759667769 UZTQJHBNBPORJM-HNNXBMFYSA-N 276.355 3.881 30 20 CHED CC[C@@H](C)CCNCc1ccc(O[C@H](C)C#N)cc1 850356495 WHZFFNIRPAELSX-ZIAGYGMSSA-N 260.381 3.503 30 20 CHED CC1(C)CCC(=CC(=O)N2CCC[C@@H](CC#N)C2)CC1 855254713 PYOLXDWPMBRHMC-HNNXBMFYSA-N 274.408 3.665 30 20 CHED Cc1ccc(COC(=O)Cc2ccccc2CC#N)cc1C 758530175 SCCBNPXGZZVKBG-UHFFFAOYSA-N 293.366 3.655 30 20 CHED C#CC[C@@H](NC(=O)/C=C(\C)c1ccccc1)c1ccccc1 757574965 AFKINAKAVSVFRV-CLHDZIPGSA-N 289.378 3.971 30 20 CHED COc1ccc(C(C)=NOCC2CCC2)c(C)c1OC 853440434 CUEBFABEEWXAAE-UHFFFAOYSA-N 277.364 3.553 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2sccc2C#N)C1 931842535 LLEUCHDCMWTDFL-CQSZACIVSA-N 277.393 3.664 30 20 CHED CON=C(C)c1ccc(Cl)c(C(F)(F)F)c1 754706811 QKGNCLQLYKAXOP-UHFFFAOYSA-N 251.635 3.729 30 20 CHED Cc1ccc(NN=CC2CCC(C(F)(F)F)CC2)nn1 767378733 QLJAJXAJNWCEEM-UHFFFAOYSA-N 286.301 3.551 30 20 CHED CC1(C)[C@H](NCCCCC2(C#N)CCC2)[C@@H]2CCCO[C@H]21 930628523 NNVLOSDHNYGQLP-ARFHVFGLSA-N 290.451 3.644 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NO[C@H]1CCCCO1 766716038 OXTVFDHWMHLFRA-WFASDCNBSA-N 259.349 3.750 30 20 CHED C=C1CCN(C(=O)c2cccc(Nc3nccs3)c2)CC1 932038451 KPFUNGNIEUOROO-UHFFFAOYSA-N 299.399 3.679 30 20 CHED CCCCc1nnc(S)n1N=CC1CCC(C)(C)CC1 764664223 BTINNQFHJAJMOE-UHFFFAOYSA-N 294.468 3.960 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cc1OC)[C@@H](C)CC 932327466 XGXMTXLWNTXKGF-ZDUSSCGKSA-N 288.391 3.608 30 20 CHED CC[C@@H](C)CON=C(N)c1cccnc1Oc1ccccc1 764547423 AGMQHLURAYGWBG-CYBMUJFWSA-N 299.374 3.557 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C\c1cc(Cl)ccc1O)CO2 763097036 NFZMQOHOYVBXAP-NAQJVLLRSA-N 287.746 3.907 30 20 CHED C=CCCOC(=O)c1nn(-c2ccccc2Cl)cc1C 766619080 NRYBJCFZXNBUFT-UHFFFAOYSA-N 290.750 3.567 30 20 CHED CCc1cnccc1C(C)=NN[C@@H](C)c1ccccc1 765572965 VRCAFWOLKAJBNR-ZDUSSCGKSA-N 267.376 3.719 30 20 CHED C#CCN(CC)C(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 764212421 XLJNXTXPBCNZDA-BJLQDIEVSA-N 295.426 3.517 30 20 CHED Cc1ccc(C#N)c(N2CCC(c3cccc(F)c3)CC2)n1 766420692 CPVHIFLFKRXSSN-UHFFFAOYSA-N 295.361 3.785 30 20 CHED N#Cc1cccc(CN2CCC[C@@H](c3ccccc3)CC2)n1 876682151 FZZIJHIVSCTXGU-QGZVFWFLSA-N 291.398 3.723 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccn(C2CCCCC2)n1 1117791307 HTYIRRGGRNGXIM-UHFFFAOYSA-N 290.411 3.722 30 20 CHED CC(C)(C#N)CCOC(=O)c1csc2ccccc12 776371353 RHRPATJTLCLCIS-UHFFFAOYSA-N 273.357 3.998 30 20 CHED O=C(CC#Cc1ccccc1)N(C1CCCCC1)C1CC1 1116267006 YYKCDNLIYOPXQH-UHFFFAOYSA-N 281.399 3.752 30 20 CHED C=CCOc1ccccc1C(=O)O[C@@H](C#N)C1CCCCC1 776372564 OGILRZKTFZOKHL-KRWDZBQOSA-N 299.370 3.881 30 20 CHED CC(C)c1ncc(/C=C/C(=O)c2cscn2)s1 776191029 DYBVEFDRRKEFQH-ONEGZZNKSA-N 264.375 3.619 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(C)c(OC)c2)c1 773124582 JXOCOOYIYSHQLO-KTKRTIGZSA-N 282.339 3.908 30 20 CHED N#Cc1ccc(OCc2cccc(Cl)c2)c(F)c1 62658904 KOXPGKXZOZIDFT-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(NC(=O)C(C)C)c1 878191408 WUUNGMYXCQHJOB-UHFFFAOYSA-N 288.391 3.822 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc(-c2ccc(F)cc2)s1 770935073 BTXGYHKOPYTSDJ-JTQLQIEISA-N 289.331 3.871 30 20 CHED COC[C@H](C)C(C)=NNc1ccc(C#N)c(C(F)(F)F)c1 777885834 CSXQFDPVJYUCHA-VIFPVBQESA-N 299.296 3.647 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C[C@@H]2C=CCCC2)cc1 778609413 PCTCHJUBSPUJAV-MRXNPFEDSA-N 282.387 3.988 30 20 CHED Cc1cc(C=NO[C@H]2CCCCO2)ccc1Cl 779783196 LIMCJYTYNFFUBK-ZDUSSCGKSA-N 253.729 3.526 30 20 CHED C#CCCCCC(=O)N[C@H]1CCC[C@H]1CCC(C)C 773298008 AQERBJWQJGCTFI-HOTGVXAUSA-N 263.425 3.901 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(SC(F)F)cc1 776008879 DAHUXMTZQOZGEG-JTQLQIEISA-N 282.359 3.956 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCNc3ccccc32)cc1 774302225 RDMOOHGCAJALFB-UHFFFAOYSA-N 296.330 3.617 30 20 CHED CC1(C)CCC/C(=C/c2ccc(C#N)cc2F)C1=O 772804402 WZLIGCQTIMRUCU-LCYFTJDESA-N 257.308 3.860 30 20 CHED C=CCC[C@H](C(=O)OCC(=O)C(C)(C)C)c1ccccc1 778559362 PLLXMLDUOXKWLV-HNNXBMFYSA-N 288.387 3.895 30 20 CHED C#CCC(C)(C)COC(=O)/C=C\c1ccc2ccccc2n1 779454425 PNJHXHYHQJPCLB-QXMHVHEDSA-N 293.366 3.841 30 20 CHED C=CCN(C)Cn1cc(-c2ccc(F)cc2)oc1=S 777548683 YTFLQHGTLZRZIZ-UHFFFAOYSA-N 278.352 3.692 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 782285674 CEJHQWUWWQUMHB-CYBMUJFWSA-N 295.770 3.750 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)c(F)cc1F 888818699 PIVZMUBBSMLGAD-UHFFFAOYSA-N 257.255 3.645 30 20 CHED C=C(C)COC(=O)c1cccc(Br)c1Cl 780128158 CPZBYNMYKYNEEU-UHFFFAOYSA-N 289.556 3.835 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NN[C@H](CO)c1ccccc1 788459257 DLBFRAPBNOWMOK-RDTXWAMCSA-N 294.398 3.530 30 20 CHED C[C@@H]1CC(Nc2ccc(Cl)cc2C#N)C[C@@H](C)O1 301952316 JJQZREHDKDZXRE-NXEZZACHSA-N 264.756 3.580 30 20 CHED C#CCCCC(=O)OCCc1cccc(Cl)c1Cl 788992783 KITOQUJEXQHXTR-UHFFFAOYSA-N 285.170 3.883 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(F)c(Cl)cc1Cl 781147802 VQPGJCADPRFUEY-ZCFIWIBFSA-N 276.094 3.591 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccccc1OCc1ccccc1 781131386 HOSGSGBWZSQRJF-HNNXBMFYSA-N 295.338 3.725 30 20 CHED CCC[C@@H]1C[C@H](C(=O)O[C@H](C#N)C2CCCCC2)CCO1 780165224 RIDPQMQASBYKGY-BZUAXINKSA-N 293.407 3.597 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2ccccc2F)nc1 785440837 FNMGKCGEUMFGGG-UHFFFAOYSA-N 298.317 3.755 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(F)cc1 785861614 HREQKOOGZYFQNT-CJNGLKHVSA-N 275.367 3.571 30 20 CHED C=CCCCCCOC(=O)Cc1ccc(C(C)=O)cc1 783001919 SXCOOIZSXNPYDN-UHFFFAOYSA-N 274.360 3.721 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1ccccc1CC#N 890615479 JKQFENRPUZZPLT-GOSISDBHSA-N 290.366 3.860 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1c(F)cccc1Cl 782602942 BSCOSXIXMADTOW-UHFFFAOYSA-N 297.757 3.895 30 20 CHED CC/C(=C\C(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(C)cc1 784745042 IFAVBJRESHOBAS-BAILOTOSSA-N 296.414 3.941 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC=C(c2cccc(C)c2C)CC1 891344517 XALABFXGYBFHFP-LJQANCHMSA-N 296.414 3.859 30 20 CHED CCN(Cc1cnc(F)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 891656849 QISZNFUDFPEQDG-AWEZNQCLSA-N 297.377 3.984 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(C)c1Br 393844773 YZJMJUZKAFXLSX-NSHDSACASA-N 296.208 3.842 30 20 CHED COc1cc(C=NOCc2ccccc2OC)ccc1C 799118658 OVDBOQIWCMGQCT-UHFFFAOYSA-N 285.343 3.563 30 20 CHED Fc1cccnc1NN=C1CCC[C@@H](c2cccnc2)C1 794990706 NLFDUIODFIEEKN-GFCCVEGCSA-N 284.338 3.741 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C#N)c2)cc1 799304391 WBOFAECPRRQDSI-CQSZACIVSA-N 278.355 3.666 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccccc1SC 791900267 QDQWBYQYRWTMIU-UHFFFAOYSA-N 289.444 3.951 30 20 CHED CCSc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 1207313468 ISNGWDXKWPRQNE-HUUCEWRRSA-N 274.433 3.971 30 20 CHED C#CCN(C(=O)[C@H](C)c1ccccc1)C1CCCCC1 688804668 ANBQQCNCWVWSNJ-OAHLLOKOSA-N 269.388 3.585 30 20 CHED CCN(Cc1cc(C)nc2ccccc12)C[C@@H](C)C#N 74351678 HKVQFCMTJRUGJF-ZDUSSCGKSA-N 267.376 3.525 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc(Cl)s2)C1 192751395 DYGLZSVLWQQPHJ-VHSXEESVSA-N 254.786 3.573 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1ccc2c(c1)CCCC2 1205236974 FGXCPUDUMURUFL-RDTXWAMCSA-N 270.420 3.778 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Oc2ccc(F)cc2)c1 794837049 CZEPPNQRADOQRG-UHFFFAOYSA-N 275.666 3.570 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c(Cl)c1 562694107 ADYWSOYZPOIBAF-SRVKXCTJSA-N 274.751 3.586 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H]1CCN(C2CC2)C1 793526335 QPQLMGWVZLHMEY-HZPDHXFCSA-N 264.457 3.585 30 20 CHED C#CCCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 795575549 WMUOVIIMEVUBJH-OAHLLOKOSA-N 279.836 3.920 30 20 CHED C#CCCCC(=O)NCc1ccc(-c2ccco2)cc1F 790570387 CLMHBASRAFOVBQ-UHFFFAOYSA-N 285.318 3.505 30 20 CHED CC(C)O[C@@H](C=NOC/C=C\Cl)c1ccccc1 793054975 IQRBVPKRURTOGX-MXYHDVPLSA-N 267.756 3.908 30 20 CHED C=CCN(CC1CCC(C(F)(F)F)CC1)[C@H](C)COC 661239894 JPWCBSOCEYXDBI-IYXRBSQSSA-N 293.373 3.878 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1cc(C#N)c(F)cc1F 1219883363 FURHYHZSWWIFEB-JTQLQIEISA-N 295.333 3.783 30 20 CHED C[C@H](NC(=O)c1cccc(F)c1C#N)[C@H]1CCC[C@@H](C)C1 1142302048 QTJUHGOXANPWON-AGIUHOORSA-N 288.366 3.642 30 20 CHED COc1ccc(CNCc2ccc(C#N)cc2)cc1Cl 86585522 HMIZCYXTQHHJBF-UHFFFAOYSA-N 286.762 3.510 30 20 CHED CC[C@@H](C)CCN[C@@H](C)c1ccc(OCC#N)cc1 696211448 SXVMUKAEAZOTHS-KGLIPLIRSA-N 260.381 3.676 30 20 CHED N#Cc1ccc(CSCC(=O)c2ccccc2)s1 1166433775 JIJCLZNUCJCEGU-UHFFFAOYSA-N 273.382 3.736 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)c2ccc(Cl)c(F)c2)C1 1324657431 LRHOOXDHLINERR-KGXJWFGYSA-N 294.757 3.596 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)nc1 1323393810 PJGWKWGWOUBMJX-DJIMGWMZSA-N 298.386 3.603 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccc3c(c2)CCC3)c1 1323089462 XVBZMFBRMZVPQK-UNOMPAQXSA-N 281.355 3.509 30 20 CHED Oc1cccc(/C=N\Cc2cccc(C(F)F)c2)c1O 1320797294 GPOZKSSMUYXHEQ-NVMNQCDNSA-N 277.270 3.655 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(-c2ccccc2)s1 1320930882 QJJPMIXGUIXGSP-LBPRGKRZSA-N 269.369 3.509 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1cccc(C)c1C 1325103464 HKFZAUNBCIVBMT-UHFFFAOYSA-N 284.384 3.903 30 20 CHED CC(C)(C#N)c1nnc(Cc2ccc3ccccc3c2)o1 1324084573 WRZRENPPJXLWTN-UHFFFAOYSA-N 277.327 3.615 30 20 CHED Cc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)c(C)n1 1320095620 USPZUXPMPYTGTF-AWEZNQCLSA-N 281.359 3.774 30 20 CHED CN(C)c1ncccc1/C=C\C(=O)c1cc2ccccc2o1 1258513165 SMBVLKXXPVKMGP-KTKRTIGZSA-N 292.338 3.790 30 20 CHED CC(C)(C#N)CCCCSCc1nnc2n1CCCC2 1256066323 PKZYFGQCBCUPRQ-UHFFFAOYSA-N 292.452 3.568 30 20 CHED CCCCCCCC(=O)NC[C@@H](OC)c1ccc(F)cc1 1252700678 LIDGXDJEIGWFBD-MRXNPFEDSA-N 295.398 3.990 30 20 CHED Cc1nn(C(C)C)c(C)c1CN(C)Cc1cccc(C#N)c1 1336672928 KSIXCGOHCWAHIP-UHFFFAOYSA-N 296.418 3.585 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc3c(c1)CCC3)C2 1330030916 XLJZZWMPLQENGW-GIJQJNRQSA-N 285.346 3.869 30 20 CHED COCC(=NOC(C)(C)C)c1ccc(Cl)cc1 1330326962 GFCIVYDLNASXQZ-UHFFFAOYSA-N 255.745 3.506 30 20 CHED N#Cc1cc(F)c(C(F)(F)F)cc1NCC1(C#N)CCC1 1337193147 RVNSNUNOUIKPSW-UHFFFAOYSA-N 297.255 3.822 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)OC1CCCCC1)c1ccccc1 1341185974 FQRLGPWWZJSZIZ-YJBOKZPZSA-N 299.414 3.605 30 20 CHED CCCCCC[C@H](C)C(=O)[C@H](C#N)c1nccn1CC 1347338071 OSQSMNZLZKTJGS-KBPBESRZSA-N 275.396 3.686 30 20 CHED CCCC[C@H](NC(=O)c1csc(C#N)c1)C1CCC1 1347825160 IJMMOLMCXBMFNA-AWEZNQCLSA-N 276.405 3.708 30 20 CHED CCC[C@H](CC)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 1436580167 PJMDAEFZAAIMTE-ZDUSSCGKSA-N 287.407 3.698 30 20 CHED N#Cc1ccc(C(=O)NC2CCCCCCC2)c(F)c1 1350160946 UINRFMXJYQYHND-UHFFFAOYSA-N 274.339 3.540 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C12CCC(CC1)CC2 1358185724 LMSLEUVTYNIHKZ-UHFFFAOYSA-N 283.375 3.509 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1cccc(C#N)c1C 1358365249 KQVVQYQXLADUPZ-WMLDXEAASA-N 284.403 3.955 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 1355225689 NAZTZCXMAILFDC-IAQYHMDHSA-N 288.366 3.642 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 1361167853 GMBWWOAMSVRLII-FZMZJTMJSA-N 274.339 3.852 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccnc(-c2ccco2)c1 1519631687 OICJSRUHCLTXEX-GFCCVEGCSA-N 298.342 3.827 30 20 CHED COc1ccc(C#N)cc1CN1CC(C)(C)c2ccccc21 1460567889 SQTHELXRZOFVSV-UHFFFAOYSA-N 292.382 3.865 30 20 CHED CC(=NNc1cccc(C(=O)O)c1F)C1CCCC1 1602992255 PMGAVBNHXPKTMC-UHFFFAOYSA-N 264.300 3.502 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2sccc2Cl)c1 1608986013 VKSFJCMUWZTKAO-UPHRSURJSA-N 282.704 3.589 30 20 CHED C=C(C)C[C@H](C)C(=O)O[C@H](C(=O)O)c1cccc(Cl)c1 1602747729 ZQDZCUDUWXURRG-GWCFXTLKSA-N 296.750 3.611 30 20 CHED N#Cc1ccc(S[C@H](C(=O)O)c2ccccc2F)cc1 1601113832 WOQCCRVGESSPDK-AWEZNQCLSA-N 287.315 3.615 30 20 CHED Cc1cc(F)ccc1C(=O)N1CCCc2cc(C#N)ccc21 1533910347 OBJCHJCTJKIIFE-UHFFFAOYSA-N 294.329 3.599 30 20 CHED CCC[C@](C)(O)CNc1ccc(C#N)c(C(F)(F)F)c1 226233819 ABQVBQJDRNHRQA-ZDUSSCGKSA-N 286.297 3.540 30 20 CHED Cc1ccc(CCN[C@@H](C)CC(C)(C)C#N)cc1C 1621431779 XPVDLNBEFVOYLJ-HNNXBMFYSA-N 258.409 3.764 30 20 CHED C[C@@H]1C[C@H]1CNc1c(C#N)cnc2c(Cl)cccc12 1639279681 UGDBJHBKSIVPCX-ZJUUUORDSA-N 271.751 3.828 30 20 CHED Cc1cc(NCCc2ccc(Cl)s2)ncc1C#N 1639293125 FKDJWJNLMDUUTD-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CCCCC1CCC(N=c2cc(C)[nH]cc2C#N)CC1 1639330661 OSLAHNXFLHVOAV-UHFFFAOYSA-N 271.408 3.845 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2ncc(C#N)cc2F)cc1 1650794328 KXRNZXFRNJWAQR-UHFFFAOYSA-N 297.377 3.815 30 20 CHED COC(=O)c1cccc(CSCC2CCCC2)c1C#N 1653128183 AFFVAHYFRLFJEB-UHFFFAOYSA-N 289.400 3.768 30 20 CHED CN(C(=O)c1sccc1C#N)c1ccc(F)cc1Cl 1585755389 BYHYRYDJWSSUBY-UHFFFAOYSA-N 294.738 3.689 30 20 CHED C=CC[C@H](C(=O)O)N1C[C@@H](c2ccccc2)c2ccccc21 1588729470 QUANKIANLFWLRB-FUHWJXTLSA-N 293.366 3.668 30 20 CHED N#Cc1cnccc1Sc1nc2ccc(F)cc2s1 1651409309 UEFGVJRIPTYFIA-UHFFFAOYSA-N 287.344 3.853 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1scc(C)c1C#N 1669735878 IAEBCNVTBANPLI-KOLCDFICSA-N 279.409 3.874 30 20 CHED C[C@@H]1CC(NC(=O)Nc2cc(F)cc(C#N)c2)C[C@@H](C)C1 1664072029 JDPZVJJFWJHGMZ-QWRGUYRKSA-N 289.354 3.644 30 20 CHED O=C(/C=C/c1cc(C(=O)O)c(Cl)s1)c1ccccc1 1776114566 SKVKGTXJJASHFY-VOTSOKGWSA-N 292.743 3.996 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC2CCC(C)CC2)C1 1776153805 TUZHDDZJRDNOFD-DQPZFDDXSA-N 279.424 3.556 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N(CC)C(C)C 162585254 DGQCWKQQPUBNNN-UHFFFAOYSA-N 278.371 3.664 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc2c(c1)CCCC2 152622610 YKNWNECNAZDRGH-MDZDMXLPSA-N 280.371 3.678 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 153918273 QPDINAKYXSLLHL-AXTRIDKLSA-N 284.186 3.788 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(-n3cccn3)c2)cc1 157175697 KRWWVSXXGGVARR-JXMROGBWSA-N 299.333 3.640 30 20 CHED CC[C@@H](CC(=O)N[C@](C)(C#N)CC)c1ccc(C)cc1 157928237 IBQGALIYZRSDEL-YOEHRIQHSA-N 272.392 3.687 30 20 CHED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1CCC(C)(C)C#N 157985936 BXKKIEIKPDGCEA-HLLBOEOZSA-N 286.419 3.777 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1C#N 154379584 VMXPEJDZTAUQDE-CHWSQXEVSA-N 282.368 3.670 30 20 CHED Cc1ccc(/C=C2/Cc3c(O)cccc3C2=O)c(C)c1 209662948 MMECYOZJSJJVBD-ZROIWOOFSA-N 264.324 3.831 30 20 CHED N#Cc1ccc(NCCc2ccccc2Cl)cc1 140783466 HCFRRKXGTLMPBW-UHFFFAOYSA-N 256.736 3.866 30 20 CHED Cc1ccc(C)c(OCCOc2cccc(C#N)c2)c1 11826057 CNRXESOQDMPPRR-UHFFFAOYSA-N 267.328 3.633 30 20 CHED Cc1cc(C#N)ccc1N1CCC[C@H]1c1ccccn1 846755056 DOYBGTKSNNTYTH-KRWDZBQOSA-N 263.344 3.603 30 20 CHED C=C[C@@H](C)NCc1ccc(Br)c(Cl)c1 235208712 SRHPLAJGWWOTRA-MRVPVSSYSA-N 274.589 3.767 30 20 CHED N#Cc1ccc(NCc2cccc3ccccc23)cn1 149388927 BYLBLYTZRAZLFV-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C[C@H](NCCc1cccs1)c1ccc(OCC#N)cc1 37211796 WSJDYCSEIHULNV-ZDUSSCGKSA-N 286.400 3.544 30 20 CHED C#CCN(C(=O)c1ccc(C)c(F)c1)C1CCCCC1 65777053 OICUURBRQGLMPE-UHFFFAOYSA-N 273.351 3.542 30 20 CHED CC(C)(C)c1nc(CNc2ccc(Cl)c(C#N)c2)no1 172858512 RIKQKNUQVFQNEA-UHFFFAOYSA-N 290.754 3.504 30 20 CHED Cc1ccc(CN(C)c2ccc(F)cc2C#N)s1 301406450 MBLKONDAXBIATA-UHFFFAOYSA-N 260.337 3.704 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 71029228 NPCOROIABDQKTL-HNNXBMFYSA-N 274.383 3.955 30 20 CHED N#CCc1cccc(NCc2cccc3cc[nH]c23)c1 313404919 ABKCIZVFNLMEOR-UHFFFAOYSA-N 261.328 3.846 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c(C#N)c2)C1 525534495 FUPYJSOFONQDMK-MNOVXSKESA-N 276.767 3.976 30 20 CHED N#CC1(NC(=O)c2cc3cscc3s2)CCCCC1 528326526 MWNQUFCPVCCMEH-UHFFFAOYSA-N 290.413 3.919 30 20 CHED CC[C@H](CC#N)NCc1ccsc1C(F)(F)F 529544629 UGWAOWXUAUNIII-SECBINFHSA-N 262.300 3.549 30 20 CHED C=CCCCCNc1ccccc1N1CCCC1=O 573198445 QJOFMBDSSSSZBM-UHFFFAOYSA-N 258.365 3.582 30 20 CHED CN(Cc1ccccc1)Cc1ccc(Cl)cc1C#N 480529368 NDMVQZGIADVGQF-UHFFFAOYSA-N 270.763 3.844 30 20 CHED N#Cc1cc(F)cc(NC(=O)Cc2cccc(Cl)c2)c1 720286054 ZVZKFJNHQZLGKV-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CC(C)(C)[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1 399012280 YVIDGLMQGLOQAX-MRXNPFEDSA-N 256.393 3.621 30 20 CHED C=CC1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 110365912 PJGKHDPWUYWOGT-UHFFFAOYSA-N 287.378 3.672 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)cn1)[C@H](C)CCC 107463028 NXUXIAOFQGVSRX-CQSZACIVSA-N 287.407 3.774 30 20 CHED C=CCCC(=O)N(CC)C12CC3CC(CC(C3)C1)C2 102216650 FBEQIKBZHZAMDZ-UHFFFAOYSA-N 261.409 3.770 30 20 CHED Cc1c(Cl)cccc1-n1ccnc1S[C@@H](C)C#N 28302665 FNHXFQOAKTXRIM-VIFPVBQESA-N 277.780 3.838 30 20 CHED N#Cc1cccc(CN(Cc2ccc(F)cc2)C2CC2)c1 57621184 FBFJDIMLLZIEDW-UHFFFAOYSA-N 280.346 3.862 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2ccc(CC#N)cc2)C1 343531921 DNNYFUBYXKHUMD-IRXDYDNUSA-N 288.460 3.859 30 20 CHED C[C@@H](OC(=O)c1sccc1C#N)c1ccc(F)c(F)c1 52222975 IHQUZPPOHQZALK-MRVPVSSYSA-N 293.294 3.816 30 20 CHED CCC1CC(=O)C(=CNc2ccc(SC)cc2)C(=O)C1 170977614 BADBPXUVQOVIJT-UHFFFAOYSA-N 289.400 3.663 30 20 CHED Cc1ccc(C#N)c(N2CCC(c3ccccc3)CC2)n1 178804377 NNDVWCIMTHRRQF-UHFFFAOYSA-N 277.371 3.646 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1cc(C)on1 172112841 DJBRMCZVQVLOHK-ZDUSSCGKSA-N 280.412 3.638 30 20 CHED C#Cc1cccc(NC(=O)NCC(C)(C)c2cccs2)c1 114568389 CDJNFVRKOGMOCJ-UHFFFAOYSA-N 298.411 3.829 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)cc1 173565869 QBIZCTNFFYEGPJ-GOSISDBHSA-N 292.382 3.652 30 20 CHED CC(C)N(C[C@H](O)c1ccc(C#N)cc1)C1CCCCC1 177727449 VEOTUZRDLFRDTP-SFHVURJKSA-N 286.419 3.635 30 20 CHED Cc1ccc(Br)c(NCC2(CC#N)CC2)c1 134862470 ABEGRLSXFOWQPN-UHFFFAOYSA-N 279.181 3.863 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc(CC#N)c1 68709792 BPGQVEOKOGWFHZ-RDJZCZTQSA-N 284.403 3.841 30 20 CHED CN(C(=O)c1cccc(F)c1)c1cc(Cl)ccc1C#N 176424386 BXALWBCSTYKVLF-UHFFFAOYSA-N 288.709 3.627 30 20 CHED Cc1ccc(CNc2ccc(C(F)(F)F)c(C#N)c2)nc1 400844188 MRRSPSGZGXQSQH-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C2CC2)nc2ccccc12 116863475 JDWMPBXFGSRKFO-GFCCVEGCSA-N 280.371 3.807 30 20 CHED Cc1nc(-c2cccs2)sc1C(=O)O[C@H](C)CC#N 113686183 MHIGPAKYDXTIMS-MRVPVSSYSA-N 292.385 3.639 30 20 CHED N#Cc1ccc(CNC23CC4CC(CC(C4)C2)C3)c(F)c1 20038143 KNBORGIXBWUELJ-UHFFFAOYSA-N 284.378 3.756 30 20 CHED C[C@@H](CC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 26111664 CHWIEYOWCJCEEP-LSDHHAIUSA-N 292.382 3.929 30 20 CHED Cc1cc([C@@H](C)NC(=O)/C=C/c2ccccc2C#N)c(C)o1 67076993 JQFSDEGYCNMPGS-MMQHEFTJSA-N 294.354 3.659 30 20 CHED C#CCN(Cc1ccccc1O)[C@@H](C)c1ccccc1 176680390 HIMJGZNLTLZRMS-HNNXBMFYSA-N 265.356 3.589 30 20 CHED C[C@@H](SCc1noc(C2CC2)n1)c1ccc(C#N)cc1 177852302 QTKIPHIIWITDSM-SNVBAGLBSA-N 285.372 3.813 30 20 CHED CC[C@@H](C#N)Oc1cc(CNCC(C)(C)C)ccc1OC 113347622 REFPUMGVPSQJPJ-AWEZNQCLSA-N 290.407 3.512 30 20 CHED CC[C@H](C)NC(=O)[C@@H](Sc1ccccc1C#N)C(C)C 173710554 PIZLRHYHBLDBCK-WFASDCNBSA-N 290.432 3.590 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCc2cc(Cl)ccc21 69345637 XQHIQYABATZKJD-LBPRGKRZSA-N 293.794 3.600 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](CC)C(C)C 303271036 RCYHKCSQKUXXBT-INIZCTEOSA-N 289.394 3.860 30 20 CHED C[C@H](OC(=O)C[C@H]1C=CCC1)c1ccc(C#N)cc1 175783740 FBMCAHXMHLSBTB-STQMWFEESA-N 255.317 3.519 30 20 CHED C=CCC[C@@H](NCc1cccc(Cn2cccn2)c1)C1CC1 120383870 SGUCSVUPMNCEFE-LJQANCHMSA-N 295.430 3.766 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@@H](CC)C2)CC1 174363611 UJJHMTZIPAYBFY-NVXWUHKLSA-N 264.457 3.585 30 20 CHED CCS[C@H]1CC[C@@H](N(C)CCC(C)(C)C#N)C1 119698265 VOZPYCUZPAKQDR-OLZOCXBDSA-N 254.443 3.532 30 20 CHED C=C[C@H](CC(=O)N1C[C@H]2CCC[C@@H]2C1)c1ccccc1 126247932 KHIHMGVOJRYJDZ-DJIMGWMZSA-N 269.388 3.605 30 20 CHED N#Cc1ccc(F)c(CNc2ncccc2C(F)(F)F)c1 301481857 WYANJFVERHZOSB-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1scnc1CC 120737432 WJJDPOACGDRKQL-UHFFFAOYSA-N 292.448 3.914 30 20 CHED C=C(Cl)CN1C[C@@H](CC)N(CC(=C)Cl)C[C@@H]1CC 125453301 RITGXVUDRXODOM-OKILXGFUSA-N 291.266 3.666 30 20 CHED Cc1cccc(CCCN(CCC#N)Cc2ccco2)c1 181132465 RSWZOWLOUFLNLO-UHFFFAOYSA-N 282.387 3.937 30 20 CHED N#CCCCCNC(=O)NC1CCC2(CCCCC2)CC1 189344962 IJCWDTUMALXNPL-UHFFFAOYSA-N 291.439 3.873 30 20 CHED Cc1ccc(CCCN(CCC#N)Cc2ccccn2)cc1 181958707 ZFGDKYOAUGGJRH-UHFFFAOYSA-N 293.414 3.739 30 20 CHED C=CCN(C(=O)COC1CCCCC1)c1ccccc1 129005202 FVMNFQMKEJIIEE-UHFFFAOYSA-N 273.376 3.555 30 20 CHED C[C@H](OC(=O)c1sccc1C#N)c1ccccc1 128007381 QBTSMIDXLZOKIZ-JTQLQIEISA-N 257.314 3.538 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1nc(C(C)(C)C)cs1 188284550 XPFIDSXOZIDXLV-HNNXBMFYSA-N 280.437 3.659 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N[C@](C)(C#N)C(C)C 125740802 VXRRYUGSSVBEFY-ONOODXEBSA-N 290.794 3.798 30 20 CHED CC(C)CCC1CCN(CCCSCC#N)CC1 124712449 FPPVSBPUFCMIMJ-UHFFFAOYSA-N 268.470 3.781 30 20 CHED CSc1cccc(C)c1NC(=O)Cc1ccc(C#N)cc1 184598485 ISVPYIMFDULBGK-UHFFFAOYSA-N 296.395 3.770 30 20 CHED CC#CCCCC(=O)N[C@H]1c2ccccc2CC[C@H]1C 185962739 DCFSBMCCLCVNGQ-RDTXWAMCSA-N 269.388 3.620 30 20 CHED C[C@H](CCN[C@@H]1CCC[C@H](C#N)C1)N(C)Cc1ccccc1 185852070 GDZNIBWUCBHKQW-NZSAHSFTSA-N 299.462 3.569 30 20 CHED C=CCCC[C@H](C)NC(=O)CCC(=O)c1ccc(F)cc1 182626591 GWYQIAWWBDZKKO-ZDUSSCGKSA-N 291.366 3.650 30 20 CHED C=CC[C@@H]1N(CCc2cncs2)CCCC1(C)C 411639719 IEZHYQAXYYGUEF-AWEZNQCLSA-N 264.438 3.752 30 20 CHED C=CCCC(=O)N[C@@]1(c2cccc(C)c2)C[C@H]1CC 501593793 MSSRTWZPYLUZMS-PBHICJAKSA-N 257.377 3.703 30 20 CHED CCCCCCCCc1nnc(NC(=O)NC(C)C)s1 123995497 GHNSRFQEANPMPW-UHFFFAOYSA-N 298.456 3.971 30 20 CHED Cc1cccc([C@H](C)C(=O)N(CCC#N)CCC(C)C)c1 121245102 NTKNWIRWXPUCBS-INIZCTEOSA-N 286.419 3.887 30 20 CHED Cc1cc([C@H](C)Nc2cc(C#N)ccc2[N+](=O)[O-])c(C)o1 124778606 WZHPCQGMLYLZHL-JTQLQIEISA-N 285.303 3.849 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)s1 32615169 MFWGKRCJIIENGI-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](SC)c1ccccc1 182592408 BAVGVTAEMFXQSZ-DZGCQCFKSA-N 277.433 3.952 30 20 CHED C=CC[C@H](CC)NC(=O)c1csc(-c2cccs2)n1 410127329 LPWXNQPKBREBSB-JTQLQIEISA-N 292.429 3.956 30 20 CHED C=CCN(C(=O)c1ccc(F)c(F)c1F)c1ccccc1 78285621 HDOZNMSRVHSFEG-UHFFFAOYSA-N 291.272 3.937 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccc(C#N)cn2)c1C 78307672 JXFOTSMDQVXXDT-KRWDZBQOSA-N 277.371 3.912 30 20 CHED CC(=O)c1cccc(OCc2ccc(Cl)cc2C#N)c1 185257140 XTIDKZGIRBDXHH-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CCN(Cc1cccs1)C(=O)Nc1ccc(CC#N)cc1 76083899 MTLCRHZMBRZHQL-UHFFFAOYSA-N 299.399 3.868 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1ccc(C)cc1Cl 489443412 IDXZJMPODHCAFH-CYBMUJFWSA-N 292.810 3.627 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CC=CCC1 77283667 BTQWYDDDRIMGGZ-AWEZNQCLSA-N 299.374 3.576 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2cccc(CC#N)c2)c1 410040763 HUXPFFIBFAZYBJ-HNNXBMFYSA-N 292.382 3.861 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 180423213 QKHCYNAVELLICB-GFCCVEGCSA-N 299.336 3.919 30 20 CHED C[C@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CS1 413525630 YSHKNEYNTJFRTF-WCBMZHEXSA-N 286.322 3.883 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)c1c(F)cc(C#N)cc1F 315321489 AEHNCDJBYAAFNQ-UHFFFAOYSA-N 294.345 3.639 30 20 CHED N#C[C@@H](NC(=O)C1=CCCC1)c1c(Cl)cccc1Cl 505480923 PJLZXRAAAQZTHL-GFCCVEGCSA-N 295.169 3.785 30 20 CHED C=CCC[C@H](NC[C@@H]1C[C@H](C)O[C@@H]1C)c1ccco1 414258725 MCYLOHQMMAOMLY-XGUBFFRZSA-N 263.381 3.690 30 20 CHED C=CCCCN(C)C(=O)N[C@H](C)c1cc(C)oc1C 77574720 ZMEKYKLLNAVYMR-GFCCVEGCSA-N 264.369 3.565 30 20 CHED COCC[C@H](C)CNc1ccc(C#N)cc1C(F)(F)F 413490247 INVIVXVFWIRPLI-JTQLQIEISA-N 286.297 3.662 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(c2ccccc2)CC1 182647550 UUWBURFTDWFMEJ-AWEZNQCLSA-N 257.377 3.579 30 20 CHED C[C@H](c1cccc(F)c1)N(C)Cc1cccc(C#N)c1 79389834 BIZTXDIVXLAPRI-CYBMUJFWSA-N 268.335 3.890 30 20 CHED N#CC1(CC[S@](=O)c2cccc(F)c2)CCCCC1 414246342 NDAOSWJWXDEARA-IBGZPJMESA-N 279.380 3.797 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C[C@H]2C=CCC2)cc1 78385152 NLLJRRYSSGAJEM-HNNXBMFYSA-N 298.386 3.688 30 20 CHED C=CCOC(=O)c1ccc(-c2nc3ccccc3s2)o1 48867930 UKJDGVNHUYMKPH-UHFFFAOYSA-N 285.324 3.899 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](CC)C1 413842675 YKJGRKOLYCKJKB-NVXWUHKLSA-N 286.419 3.615 30 20 CHED COc1ccc(C#N)cc1CN[C@H](C)c1cc(C)oc1C 130290720 OIPKWZXRTOTBEI-GFCCVEGCSA-N 284.359 3.628 30 20 CHED Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)oc1C 135063099 JSCFVZUCABBDNA-UHFFFAOYSA-N 298.342 3.831 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)c2ccc(C)cc2)c1 48627739 AVCDLKVJQYVKSA-FHNWIRHTSA-N 269.344 3.889 30 20 CHED Cc1noc(C)c1CN(C)Cc1ccccc1C(C)(C)C#N 135122765 KGEMPZIDBAXCFY-UHFFFAOYSA-N 297.402 3.725 30 20 CHED OC1=N[C@@H](/C(O)=N/[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 328823978 RZZIXINIHGRXMF-IVZWLZJFSA-N 292.301 3.573 30 20 CHED C#CCCCC(=O)N[C@@H](CCCC)c1ccc(OC)cc1 192274060 XBECXYPHJNUXHW-KRWDZBQOSA-N 287.403 3.846 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@H](C)CC(C)(C)C 130205008 VIKCFJQDASZZJV-LBPRGKRZSA-N 288.391 3.968 30 20 CHED Cc1noc(C2CC2)c1N=C(O)N(C)Cc1cccs1 329815090 UZEPOLACIUPZKD-UHFFFAOYSA-N 291.376 3.599 30 20 CHED N#CC1(C(=O)N2CCCc3ccc(F)cc32)CCCCC1 194341035 PPLDXFCWTFVTOY-UHFFFAOYSA-N 286.350 3.579 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425650102 KQKBVDNEOSTQFP-XGUBFFRZSA-N 291.439 3.583 30 20 CHED CCc1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1 133702911 SPNXGFRJQDHBPU-UHFFFAOYSA-N 286.281 3.651 30 20 CHED N#CC1(F)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 510887174 IOSVZJPFJBNGPE-UHFFFAOYSA-N 287.165 3.821 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NCc1cccc(F)c1C#N 427574996 QCGFYSYBFIWWAH-UHFFFAOYSA-N 299.305 3.835 30 20 CHED CC[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1F 429791398 ATJSSJPQMNLCAI-CQSZACIVSA-N 264.319 3.699 30 20 CHED N#Cc1ccc(Oc2cc(Cl)nc(C3CC3)n2)cc1 131494280 HGIRIRBHSPAMGW-UHFFFAOYSA-N 271.707 3.671 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@@H]1CCCSC1 329577606 OQEJIRACVLLRBT-NQBHXWOUSA-N 298.452 3.620 30 20 CHED N#C[C@H](NC(=O)c1ccoc1Cl)c1ccccc1Cl 192350074 ZSDZLBICBSTVAV-NSHDSACASA-N 295.125 3.581 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccccc1OC(F)F 131406115 DXNYXZPAPYDLDB-UHFFFAOYSA-N 282.286 3.962 30 20 CHED N#Cc1ccc(CNc2ccccc2OC(F)F)cc1F 190316145 CEZSMTNDMHPJEH-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC1CCCC1)C(C)C 424935784 ZDOXHRLMCULLRP-BBWFWOEESA-N 293.451 3.546 30 20 CHED CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NCCCC(C)(C)C#N 191402007 BHKBVXCPUHXRDK-ZNMIVQPWSA-N 280.456 3.746 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC[C@@H](F)C2)c1 519707404 FLVXJLHGHWTPQG-OLZOCXBDSA-N 292.354 3.654 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C1CCC(O)CC1 194155695 UIQOQTJNRKKZHY-QQFBHYJXSA-N 283.456 3.650 30 20 CHED COc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1OC(C)C 193295184 BXDLNWBULADRJG-UONOGXRCSA-N 288.391 3.977 30 20 CHED C=C(C)[C@@H](N[C@H](C)CCCCN)c1ccc(F)c(F)c1 423049959 KNAKQIDSUZTQOP-MLGOLLRUSA-N 282.378 3.689 30 20 CHED Cc1nc(C/N=C(/O)c2c(C)noc2C(C)C)sc1C 330929238 MXKWQEMTLYJJPM-UHFFFAOYSA-N 293.392 3.685 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2cc(C#N)cs2)C1 335105995 ANXVTFFAIIJIAJ-LLVKDONJSA-N 276.405 3.518 30 20 CHED Cc1coc(C)c1C(=O)Nc1sc2c(c1C#N)CCC2 334483896 YYFKKWXKNSNKDA-UHFFFAOYSA-N 286.356 3.571 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1NCC1(C(F)(F)F)CCC1 425255120 PCTMEOVSIULMET-UHFFFAOYSA-N 299.252 3.611 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCCOc2c(F)cccc21 424796001 VPLGZVDTWKSHNZ-AWEZNQCLSA-N 291.366 3.758 30 20 CHED C[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 516391417 IWAHGKUHIDKCGU-JKIFEVAISA-N 284.403 3.952 30 20 CHED Cn1cc(CNc2ccccc2OC2CCCC2)cc1C#N 191404488 BYNNQXJOONOLTO-UHFFFAOYSA-N 295.386 3.830 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCCC2(C)C)cc1 427165368 SJNKOXRRPMRPDA-HNNXBMFYSA-N 273.376 3.560 30 20 CHED C=CCC(C)(C)c1noc(C[C@H]2CCO[C@@H](CC)C2)n1 519009117 VEEPLYNTUYHZDW-STQMWFEESA-N 278.396 3.671 30 20 CHED CN(Cc1ccc2ccccc2c1)c1cnccc1C#N 339047350 YCSXRSQHFMGTSZ-UHFFFAOYSA-N 273.339 3.743 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2 334515583 MJDYJLBFHGDJQI-KSSFIOAISA-N 282.387 3.680 30 20 CHED CCc1nc(C(C)C)ccc1CN(CC)C[C@H](C)C#N 338944320 DXVMFXNOROULKD-CQSZACIVSA-N 273.424 3.749 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1 90340171 TXFHUNKEUKDJQX-GFCCVEGCSA-N 284.334 3.557 30 20 CHED Cc1ccc2nc(C)c(/C(O)=N/C[C@H]3CCCC3=O)cc2c1 330044292 FRZTVWDDMOYBRE-CYBMUJFWSA-N 296.370 3.525 30 20 CHED CCN(C[C@@H](C)C#N)c1cc(C(C)C)nc(C(C)C)n1 90107408 CYGXEVUSQVSSJG-ZDUSSCGKSA-N 274.412 3.709 30 20 CHED CC1=C(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC1 438038549 OAKAOEIWTJSSGI-QZTJIDSGSA-N 294.398 3.785 30 20 CHED CC1(C(=O)NCc2cccc(C#N)c2)CCCCCC1 180433790 RGNCKIXTGNRLTG-UHFFFAOYSA-N 270.376 3.535 30 20 CHED C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccon1 349836661 SUCCQFZBUORVQE-NXVRBGIVSA-N 295.386 3.729 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1O 436823601 VWLNHMOBNFSCDC-LLVKDONJSA-N 299.292 3.592 30 20 CHED COc1cc(C#N)ccc1COc1ccc(C)c(F)c1 433310817 JQUPDOKDAYGWMH-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1C[C@H]1c1ccccc1Cl 248247546 RAIYJVSSOJIIQO-KBPBESRZSA-N 277.795 3.868 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1F 345640812 MVSIJNAAINXUJE-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCCC1(c2nc([C@H]3C[C@H]4CC[C@H]3C4)no2)CC1 345935147 UVFZLNUVQPHHAJ-AVGNSLFASA-N 258.365 3.971 30 20 CHED CCn1c(NC(=O)CC(C)(C)CC)nc2cc(C#N)ccc21 343922469 XHXFYBKHXCRPTC-UHFFFAOYSA-N 298.390 3.693 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCCc3ccc(F)cc32)n1 343032173 FBBIVHKHDRHPSM-MRXNPFEDSA-N 281.334 3.890 30 20 CHED C=C1CCN(C(=O)CCSc2ccc(C)c(C)c2)CC1 524703653 MWQLXDIALMGCCA-UHFFFAOYSA-N 289.444 3.964 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cc(Cl)ccc1F 348377695 FLAIFTMMMJYUOS-UHFFFAOYSA-N 297.761 3.931 30 20 CHED CCCc1nnc(S[C@@H](C#N)CCc2ccccc2)o1 601081319 VHOGRDVBKALRHM-CYBMUJFWSA-N 287.388 3.639 30 20 CHED Cc1c(NC(=O)C2(C3CCC3)CCC2)ccc(C#N)c1C#N 521857122 KWLNLTUNTUZBNS-UHFFFAOYSA-N 293.370 3.647 30 20 CHED CC(C)(CCC#N)CNc1cncc(-c2ccccc2)n1 340945424 YKLMZWIMVOKCBU-UHFFFAOYSA-N 280.375 3.885 30 20 CHED Cc1cccn2c(/C=C3\Cc4ccc(F)cc4C3=O)cnc12 255390474 IVZUMMNIDQGWCZ-MDWZMJQESA-N 292.313 3.604 30 20 CHED C[C@H](CCC#N)CN(C)C(C)(C)CN1CCCCCC1 602625498 ZRGIZDVYZQMLIA-MRXNPFEDSA-N 279.472 3.513 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCCC1=CCCCCC1 602611263 KTIGPJKMVDSNAC-MRXNPFEDSA-N 290.451 3.956 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2cccnc2)cc1 346165666 ILNWLCLLOQPTGS-QGZVFWFLSA-N 295.342 3.752 30 20 CHED CCN(CC)c1ccc(/C=N\Cc2ncccc2C)c(O)c1 255599182 NUQBBQFWAYRRSY-UNOMPAQXSA-N 297.402 3.561 30 20 CHED CSc1ccccc1-c1cn([C@@H]2CC[C@@H](C#N)C2)nn1 600974231 XARXUOOSNBXGSZ-VXGBXAGGSA-N 284.388 3.532 30 20 CHED C[C@@H](CCC#N)CNC[C@@H](C)Sc1ccccc1 602560505 MREKQBBUERPBID-UONOGXRCSA-N 262.422 3.697 30 20 CHED CCOC(=O)[C@@H](Sc1ccccc1C#N)C(C)(C)C 600525935 XWXCPNNVVJXUBJ-CYBMUJFWSA-N 277.389 3.628 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)cc1OC 527061234 MBEDEVFJBMSGES-UHFFFAOYSA-N 288.391 3.548 30 20 CHED C=CCN(CC=C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 355445072 GYWSMDVKJDUFPO-CQSZACIVSA-N 283.375 3.780 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1ccc(F)cc1 255685141 IRDBMCCZNYBSPK-YVMONPNESA-N 261.683 3.770 30 20 CHED C=CCN(Cc1ccc(OCCC)c(OC)c1)C1CC1 350267944 PIJJOAGALMLTHJ-UHFFFAOYSA-N 275.392 3.634 30 20 CHED COc1ccc(-c2cccc(C3CCNCC3)c2)c(C#N)c1 600790485 LBZNCXYPFXBGSF-UHFFFAOYSA-N 292.382 3.701 30 20 CHED C=CCCOCCCCC(=O)NCC1C(C)(C)C1(C)C 358326118 QZIALTTXDYMDQI-UHFFFAOYSA-N 281.440 3.548 30 20 CHED C=CCCCCCSc1nc2nc(C)cc(C)n2n1 447298856 LIBVWONMZDIHMU-UHFFFAOYSA-N 276.409 3.580 30 20 CHED C=C(CC)CN1CCn2cccc2[C@@H]1c1ccccc1 536888727 DTEQYRLILIKWEN-SFHVURJKSA-N 266.388 3.859 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)Cc1cccs1 268173602 QVXCIAOPLPBGGZ-LBPRGKRZSA-N 263.406 3.564 30 20 CHED C=C(Cl)CNC(=O)CCCc1ccc(Cl)cc1 265503219 IMQJPMHUAYMQDK-UHFFFAOYSA-N 272.175 3.531 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCC1(O)CCCCCC1 611393293 SBEALQBGWHJCHN-SFHVURJKSA-N 298.430 3.611 30 20 CHED Cc1ncc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 618802873 MEGHJHKDZJPQKT-BONVTDFDSA-N 283.400 3.661 30 20 CHED C[C@H](C#N)C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 446711284 LGSNSUISYPNMGR-SECBINFHSA-N 297.185 3.648 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 357159245 KLOVVEDYNDLPGG-HUUCEWRRSA-N 273.351 3.544 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 359419523 RFUNCGVDGHDROB-HZPDHXFCSA-N 296.414 3.904 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1(C)C 610502080 WAYBIBJXOISNIX-PMPSAXMXSA-N 288.435 3.813 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H](C)S[C@H](C)C1)c1ccccc1 536177944 KMIKJWCWIAUCTA-ZNMIVQPWSA-N 289.444 3.699 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@H]1CCCCC1(C)C 611030158 ZZYSFHROEMKFJZ-KGLIPLIRSA-N 264.413 3.647 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)[C@@H](C)CCSC 351076601 UBTYYEOLWMXTSH-STQMWFEESA-N 296.484 3.555 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H](C)c1ccccc1 268121485 BZKKVZWPTOIQKB-CQSZACIVSA-N 257.377 3.675 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCCC(C)(C)C1 446656269 ZITAXNDBFJHJBM-CQSZACIVSA-N 266.429 3.953 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 610352051 BBMPNEANACDDLJ-JJRVBVJISA-N 299.418 3.887 30 20 CHED C=CCC[C@H](NCCCNc1ccccn1)c1ccco1 353528156 NRCXIJHHFYVARQ-HNNXBMFYSA-N 285.391 3.774 30 20 CHED Cc1ccccc1COc1cccc(NC(=O)[C@@H](C)C#N)c1 531294733 QQPHBNLYNMGWQE-AWEZNQCLSA-N 294.354 3.672 30 20 CHED C=CCC1(NC(=O)c2coc3c(C)cccc23)CCOCC1 618252039 YCFQHPGQFVGKNI-UHFFFAOYSA-N 299.370 3.596 30 20 CHED C=CC(C)(C)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 453308279 MYVSJYXVEJSKOS-OAHLLOKOSA-N 288.391 3.718 30 20 CHED N#Cc1ccc(CNc2ccc([N+](=O)[O-])s2)cc1Cl 619747365 XBKHRWFNFJJJSM-UHFFFAOYSA-N 293.735 3.793 30 20 CHED CC1(C)CCC[C@H](C(=O)NCc2ccc(C#N)c(F)c2)C1 456834682 JQVZXDQTHNCURY-ZDUSSCGKSA-N 288.366 3.530 30 20 CHED C=CCOCCCC(=O)Nc1cc(C)c(C)cc1Cl 452864873 GDAOIGWJCWLPKG-UHFFFAOYSA-N 281.783 3.878 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 452721907 ITKJSXKPDRWMCZ-UONOGXRCSA-N 297.320 3.891 30 20 CHED C=CCOc1cccc(CN(C)[C@H](C)CCSC)c1 536659957 PDGCGYJVOFYZOJ-CQSZACIVSA-N 279.449 3.825 30 20 CHED C=CCC1(C(=O)Nc2cnn(CC(C)C)c2C)CCCC1 450335855 MLKTYKCPZXKXAM-UHFFFAOYSA-N 289.423 3.923 30 20 CHED CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 539610443 WPIPTJOODROVKC-OZVIIMIRSA-N 260.356 3.927 30 20 CHED C=CCOCCCC(=O)N1CCC[C@@H]1C1CCCCC1 369724863 BBOIFRTYHXEAKX-MRXNPFEDSA-N 279.424 3.541 30 20 CHED C[C@H](NC(=O)N(C1CCCC1)C1CC1)c1cccc(C#N)c1 610461914 PGGUYWFHXPLAFS-ZDUSSCGKSA-N 297.402 3.736 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 450363317 UUJUSXOEHPLPAA-LPMFXHHGSA-N 296.414 3.508 30 20 CHED N#CC[C@H](CC(=O)Nc1ncccc1Cl)c1ccccc1 361839078 GPRQRNORVGFITR-CYBMUJFWSA-N 299.761 3.761 30 20 CHED CCC1(Cc2ccccc2)CCN(C(=O)CCCC#N)CC1 360492598 VARXROILFJNJLW-UHFFFAOYSA-N 298.430 3.942 30 20 CHED CC(C)(C#N)CC(=O)Nc1cnccc1-c1cccc(F)c1 365973691 FHAYEQAIBSUAKX-UHFFFAOYSA-N 297.333 3.766 30 20 CHED CCC[C@@H](C#N)NC(=O)C(C)(C)c1ccc2ccccc2c1 611286187 SOCMTKJWRAWNHN-KRWDZBQOSA-N 294.398 3.926 30 20 CHED C=CCCCc1nc([C@@H](Cc2ccccc2)OC)no1 453224529 LVFNIZACHJWMNL-CQSZACIVSA-N 272.348 3.509 30 20 CHED CCSCC[C@@H](C)N(C)Cc1cc(C#N)ccc1F 362450245 JFHUKJHAULAURO-GFCCVEGCSA-N 280.412 3.661 30 20 CHED CC[C@H](C)CC(=O)N(CCC#N)c1ccc(C)cc1 276865352 PUQAVNMNSVFGBE-ZDUSSCGKSA-N 258.365 3.678 30 20 CHED CC(C)(C#N)CCOc1cccc(NC(=O)c2ccco2)c1 272112023 OTNFQXPXTPHGRC-UHFFFAOYSA-N 298.342 3.851 30 20 CHED C[C@@H]1C[C@@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)CCO1 360650185 XPXHSDBLRJUNHX-SIXWZSSISA-N 298.430 3.730 30 20 CHED COc1cc(C)c([C@H](C)NCCCCC#N)cc1C 273136732 DBOQFIGYGJIDAY-AWEZNQCLSA-N 260.381 3.657 30 20 CHED CC(C)(C#N)CCSCCc1ccc2c(c1)CCO2 276622528 ODIYTOFEPIUKNF-UHFFFAOYSA-N 275.417 3.837 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1ccc(C)cc1 455361706 DWWJNPPSHMRAJL-CQSZACIVSA-N 274.408 3.910 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cscn1 271567294 XZXWLRJLFIYXNB-JSGCOSHPSA-N 271.389 3.839 30 20 CHED CC(C)OCCCCN[C@@H](C)c1ccc(C#N)c(F)c1 272840463 JONHTFFSIDRBEP-ZDUSSCGKSA-N 278.371 3.553 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n1 624633584 OZOJDCCINGXCOK-SOUVJXGZSA-N 280.371 3.977 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H](C)c2ccco2)C1 628062362 DHIRSLIHSCANCH-UONOGXRCSA-N 261.365 3.588 30 20 CHED C=CCCC(C)(C)NC(=O)CCn1c(C)nc2ccccc21 620857054 LXQBWHLMDZBSNO-UHFFFAOYSA-N 299.418 3.596 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(NC)cc2)C1 625924235 INXKFQYDHYGFDI-CYBMUJFWSA-N 273.380 3.548 30 20 CHED C#CCCN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 270567375 ZKDOPRPKJKFMJF-INIZCTEOSA-N 295.430 3.820 30 20 CHED CO[C@@]1(C)C[C@@H](Nc2ccc(Cl)cc2C#N)C1(C)C 467009080 IYEDLHMDFSBYTL-HIFRSBDPSA-N 278.783 3.827 30 20 CHED C[C@@H](CN(CCC#N)CC1CC1)c1ccc(F)cc1 275785527 YDSHCVYAINNMFK-ZDUSSCGKSA-N 260.356 3.555 30 20 CHED C=CCCC(=O)Nc1nc(C)c(Br)cc1CC 622916292 JKDQRSRUHYNHIL-UHFFFAOYSA-N 297.196 3.620 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C 460781688 VAKRPKDBXPEEHJ-KBPBESRZSA-N 276.428 3.602 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@H]2CCCC)CC1 468367503 NBQLFRIUYPMMHL-SJLPKXTDSA-N 278.484 3.975 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 464759201 WRMXHFHQJLFYLN-FDRIWYBQSA-N 292.810 3.911 30 20 CHED N#Cc1c(Cl)nsc1NC[C@@H]1CCC(F)(F)C1 282021836 QMOHDLOSMROUET-ZCFIWIBFSA-N 277.727 3.515 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C#N)cc1Cl 467962459 DXIVTTFOQGWLQB-AWEZNQCLSA-N 262.740 3.752 30 20 CHED C[C@@H](NCC1CCC(C#N)CC1)c1ccc(F)c(F)c1O 282224395 ICOUTCAEYYXPDL-VOMCLLRMSA-N 294.345 3.651 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(OC(F)F)cc2F)C1 283064042 PVVNLVVYXSPFKO-VHSXEESVSA-N 284.281 3.921 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCc2cc(C)ccc21 467928060 UJDFFXQZTXBMDO-DOTOQJQBSA-N 257.377 3.701 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCC1(C)C 554135556 KHSMZCNSCUMICC-AWEZNQCLSA-N 275.417 3.883 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H]1Cc1ccccc1 469083998 SZVXTFOPGGLGSS-KRWDZBQOSA-N 269.388 3.598 30 20 CHED CC(C)c1ccc2occ(C(=O)N(C)C[C@H](C)C#N)c2c1 285972611 KJAMSAUOJPERRS-GFCCVEGCSA-N 284.359 3.788 30 20 CHED C=CCCc1ccccc1NC(=O)c1cnn(CC)c1C 632882243 BMUSKKGAFJNMGQ-UHFFFAOYSA-N 283.375 3.582 30 20 CHED CC(C)c1ccc2occ(C(=O)N(C)C[C@@H](C)C#N)c2c1 285972616 KJAMSAUOJPERRS-LBPRGKRZSA-N 284.359 3.788 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CC3CCC2CC3)cc1 552164701 JKVAXTHWIPDYAE-NANBGGJNSA-N 296.414 3.756 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)CC(C)(C)C#N 552317025 YZWLAUPYXNCCAL-UHFFFAOYSA-N 271.191 3.975 30 20 CHED N#Cc1cc(Cl)ccc1COc1cccc([N+](=O)[O-])c1 478944742 QXWHIUITHBODFG-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC(=O)N(c1ccc(NCC(C)(C)CCC#N)cc1)C1CC1 293194442 XJASXAKGPSIREK-UHFFFAOYSA-N 299.418 3.944 30 20 CHED CC(C)Oc1cccc(CN(C)[C@@H]2CC[C@H](C#N)C2)c1 293728808 GKYOONTUSCVQES-GOEBONIOSA-N 272.392 3.598 30 20 CHED CCc1cc(NC(=O)[C@@](C)(C#N)CC)c2ccccc2n1 290249372 JTDMUNMWXMUGHI-QGZVFWFLSA-N 281.359 3.676 30 20 CHED C=CCN(CCC#N)Cc1cc(Cl)cc2cccnc12 292080126 DLPVOLKRIPYTFF-UHFFFAOYSA-N 285.778 3.790 30 20 CHED CCCCCCCCC(=O)N[C@H]1CSC[C@H]1C 804501309 BDWHAYGLXKPUJQ-OLZOCXBDSA-N 257.443 3.605 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 701309262 QPQXXCAEPMPXBC-DSYXLKISSA-N 297.185 3.815 30 20 CHED N#Cc1ccc(N2CC3(CCC3)[C@H]2c2ccccc2)nc1 293063977 NDBZKQOJVURKST-QGZVFWFLSA-N 275.355 3.685 30 20 CHED CCC(=O)c1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 295284584 JCTMVVAYZKWFBX-SFHVURJKSA-N 296.370 3.692 30 20 CHED O=C(/C=C/c1cc(Cl)cc(Cl)c1)c1ccnc(O)c1 806556702 XXFOJZLRJCWZRM-OWOJBTEDSA-N 294.137 3.990 30 20 CHED CC#CCCCC(=O)NCc1cc(C2CC2)ccc1F 295337606 FLWIZLRCBQUWQM-UHFFFAOYSA-N 273.351 3.513 30 20 CHED Cc1cccc2cc(C(=O)O[C@H](C#N)C3CC3)sc12 808990216 PZDARQWQMTXRFQ-GFCCVEGCSA-N 271.341 3.669 30 20 CHED C=CCOCCCN1CCC(Cc2ccccc2)CC1 470721187 BNSSNOMVJDSGJB-UHFFFAOYSA-N 273.420 3.534 30 20 CHED N#CCCCCCC(=O)NC1(Cc2ccccc2)CCC1 808554575 DRGLFHBEESTNMF-UHFFFAOYSA-N 284.403 3.742 30 20 CHED Fc1cccc(F)c1NN=Cc1ccc(C(F)(F)F)[nH]1 807972708 UJIASYUGSJJJNO-UHFFFAOYSA-N 289.207 3.758 30 20 CHED C=C(Br)CNC(=O)CCCCC(C)(C)C 804305280 LGNZLUCQVBAKCW-UHFFFAOYSA-N 276.218 3.618 30 20 CHED C[C@H]1/C(=C\c2cnc3ccccn23)C(=O)c2ccccc21 809155828 GRXPGROUNGACNS-HMHNVIDESA-N 274.323 3.718 30 20 CHED CCC[C@@H](C)OC(=O)C(C)(C)c1cc(F)cc(C#N)c1 802798608 NHUXPSCHKLZQBM-LLVKDONJSA-N 277.339 3.707 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 296026224 ZMBOBUZASMOOSD-LBPRGKRZSA-N 284.359 3.731 30 20 CHED C=C(C)CCc1noc(-c2cc(C)n([C@H](C)C3CC3)n2)n1 560456001 ONNPQAQNLFGUON-GFCCVEGCSA-N 286.379 3.721 30 20 CHED Cc1nc2ccccc2nc1SCC(C)(C)CC#N 566498063 TXYKLVGWSWLEPI-UHFFFAOYSA-N 271.389 3.970 30 20 CHED Oc1ccccc1/C=N/Cc1ccsc1Br 800790019 AAVCWRKTLDQKAY-VGOFMYFVSA-N 296.189 3.835 30 20 CHED C#Cc1ccc(CNCc2cc(F)ccc2SC)cc1 809624141 HMOVMIWPMMKBSK-UHFFFAOYSA-N 285.387 3.819 30 20 CHED C=CCCCCNC(=O)N1CCC(c2ccccc2)CC1 472843002 YHJRJYBNFUQMCG-UHFFFAOYSA-N 286.419 3.932 30 20 CHED C=C[C@@H](CC(=O)OC[C@H](F)C(F)(F)F)c1ccccc1 800191013 QVBUQCQBSJZEEX-JQWIXIFHSA-N 290.256 3.790 30 20 CHED C#Cc1ccc(CNc2ccc(Cl)c(CN(C)C)c2)cc1 809660897 OUQRSDQAYWAOOJ-UHFFFAOYSA-N 298.817 3.995 30 20 CHED Cc1cc(CNC2(c3nccs3)CCCC2)ccc1C#N 488102549 JQAPFXWZISEYQU-UHFFFAOYSA-N 297.427 3.882 30 20 CHED CCCCCC(C)=Nn1cnc2sc(C)c(C)c2c1=O 818226181 MUKWEFVEHIMPQS-UHFFFAOYSA-N 291.420 3.879 30 20 CHED Cc1csc(NC(=O)[C@@H]2CCc3ccccc3C2)c1C#N 567995757 UTQROZXQGOURFL-CQSZACIVSA-N 296.395 3.672 30 20 CHED Cc1ccc2ncc(C#N)c(OC/C=C\Cl)c2c1 813577347 PCJITTMWYLKPPY-DJWKRKHSSA-N 258.708 3.546 30 20 CHED N#CCCC1CCN(Cc2cnc(C3CCC3)s2)CC1 567906270 VXJXLJINEYTGQQ-UHFFFAOYSA-N 289.448 3.926 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CC=CC[C@H]2C)cc1 568324040 OPROSARLGWCODG-KBRIMQKVSA-N 282.387 3.532 30 20 CHED C#C[C@H](NCc1cc(F)ccc1O)c1ccc(Cl)cc1 811516652 QTYPXYNKRJDOHZ-HNNXBMFYSA-N 289.737 3.649 30 20 CHED Clc1nc2ccccc2cc1C=NOCC1CC1 814243272 OAIYGAKWLQTZNG-UHFFFAOYSA-N 260.724 3.649 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ncc(C)cc1C 657281629 KYKAKJIQSGKXRK-CQSZACIVSA-N 292.448 3.604 30 20 CHED c1cc(CCNN=C2CCC3(CCCC3)CC2)ccn1 811648789 YTSFCWJZXFFBFE-UHFFFAOYSA-N 271.408 3.704 30 20 CHED CC(C)c1[nH]ccc1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 651381379 ZHAMVRKXYXHMHT-LBPRGKRZSA-N 299.399 3.962 30 20 CHED N#CC1(COC(=O)c2ccc(C3=CCCC3)cc2)CC1 810877072 QRUJSDSJLMACPM-UHFFFAOYSA-N 267.328 3.714 30 20 CHED C=CCC[C@@H](NC(=O)NOC[C@@H](C)CC)c1ccccc1 813690361 PEKIEQPBPZERJR-GOEBONIOSA-N 290.407 3.971 30 20 CHED Cc1cc(C)c(C(=O)O)cc1C=NN[C@H](C)c1ccccc1 814815193 PQEPOLAYHKCWRP-CQSZACIVSA-N 296.370 3.686 30 20 CHED C=CC[C@H](C(=O)N(C)[C@H]1CC1(C)C)c1ccccc1 489334013 NBVHEXBZTJQLIN-GJZGRUSLSA-N 257.377 3.603 30 20 CHED CCC(=NNc1c(F)cccc1F)c1ccc(F)cn1 814852757 NPVHALYDRGROIW-UHFFFAOYSA-N 279.265 3.725 30 20 CHED CC(C)[C@@H]1CC(=NNc2cccc(F)c2F)CS1 814859288 NJEAILHQCSKSBT-LBPRGKRZSA-N 270.348 3.894 30 20 CHED CCCCCCCN1CC[C@@](CO)(c2ccccc2)C1 812882311 HANWKNLIAJTZDZ-GOSISDBHSA-N 275.436 3.593 30 20 CHED C=C(C)CN(C)Cc1cncc(OCc2ccccc2)c1 488309630 ONWRQYGVJGWPEO-UHFFFAOYSA-N 282.387 3.669 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc(F)c(F)c1 811688608 ZPSQZMZSJOLICA-ALCCZGGFSA-N 287.240 3.872 30 20 CHED CCC[C@@H](C)C(CC)=NNc1nc(-c2cccnc2)no1 814949230 CYLHHNNBOVHXAS-LLVKDONJSA-N 287.367 3.746 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1cccc(C2CC2)c1 817345921 MIOHEGWTOKTIBY-YFHOEESVSA-N 280.371 3.810 30 20 CHED CC(C)[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N 480503884 FGEFWRXRLSECDQ-HNNXBMFYSA-N 262.784 3.832 30 20 CHED Cc1cc(CNC2(c3ccccc3)CC2)ccc1C#N 488129618 UZAJQLNJVNMSTB-UHFFFAOYSA-N 262.356 3.646 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(F)cc1O 727779484 GDCPEQXIGVZZTC-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F 821452135 ONDBDVGEHRRJOR-UHFFFAOYSA-N 299.273 3.519 30 20 CHED C#CC1CCN(C(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 825589799 FWEKCCWHOSVQBW-SFHVURJKSA-N 298.430 3.829 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](OCC)C12CCCCC2 574776389 VFMDVZFNGYORAW-CABCVRRESA-N 293.451 3.833 30 20 CHED N#Cc1cc(F)ccc1COC(=O)CCCc1ccccc1 728622112 BIVLEUMHDZRHRN-UHFFFAOYSA-N 297.329 3.763 30 20 CHED N#C[C@@H]1CC[C@@H](S[C@H]2CCc3ccccc3C2)C1 577651594 LHKHFWNFEKQTIM-WQVCFCJDSA-N 257.402 3.969 30 20 CHED C#Cc1cccc(N(C(=O)Cc2ccccc2C)C(C)C)c1 728248546 WPMFQCZKWDZXND-UHFFFAOYSA-N 291.394 3.960 30 20 CHED CC#CCCNC(=O)Nc1cccc(N2CCCCCC2)c1 497652306 OVMBUQLHAPTHRL-UHFFFAOYSA-N 299.418 3.602 30 20 CHED CC(C)C1CCC(N(C)Cc2ccc(C#N)cn2)CC1 570408183 YNZUETVXWPVQOK-UHFFFAOYSA-N 271.408 3.600 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ncccc2OC(C)C)no1 664995163 GXOLXGRMWDKDAN-UHFFFAOYSA-N 287.363 3.773 30 20 CHED CC#CCCNC(=O)Nc1c(CC)ccc(Cl)c1CC 497652610 RKXGMUROFIGCKN-UHFFFAOYSA-N 292.810 4.000 30 20 CHED C=CCN(CCc1ccco1)Cc1ccccc1F 491259671 LLPIFLLBTOUDFH-UHFFFAOYSA-N 259.324 3.649 30 20 CHED CC(C)(C#N)OC(=O)/C=C\c1cccc(OC2CCCC2)c1 588402060 FZCACZRCJBKVMU-KHPPLWFESA-N 299.370 3.867 30 20 CHED C=CCCC(=O)OCc1csc(-c2ccc(C)o2)n1 726650579 RNUFEZPTDPDGJP-UHFFFAOYSA-N 277.345 3.721 30 20 CHED CC[C@H](NCc1ncc(C)s1)c1cccc(C#N)c1 902822551 XMUSVBTUZMTJEF-AWEZNQCLSA-N 271.389 3.564 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)C#Cc2cccs2)c1 825378536 CHIVWRCBWWOAJU-QGZVFWFLSA-N 295.407 3.772 30 20 CHED C=CCC(C)(C)c1noc(-c2ccnc(OC3CCC3)c2)n1 581958598 ICQIIYDGODVMPU-UHFFFAOYSA-N 299.374 3.917 30 20 CHED C=C(C)CN=c1[nH]c(-c2cc(C)ccc2OC)cs1 589631595 GQZBJKPSYYNZTC-UHFFFAOYSA-N 274.389 3.537 30 20 CHED CC(C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)=C1CCC1 826690137 SVRMJPFSPORNGT-MSOLQXFVSA-N 294.398 3.785 30 20 CHED N#Cc1ccc(S[C@H](C(=O)O)c2ccccc2)c(F)c1 738434811 PACZXOYWILCRJP-AWEZNQCLSA-N 287.315 3.615 30 20 CHED N#Cc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)n1 589452565 GBRBPGKLGBKDJH-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1cc(CN(CCC#N)CC(C)C)c(C)s1 739913947 CZDUYDUWNGJEPY-UHFFFAOYSA-N 250.411 3.737 30 20 CHED Cc1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1 739421579 KZQCCLVNRAGDQK-UHFFFAOYSA-N 279.265 3.855 30 20 CHED C1CCC(OC2CCC(=NNC[C@H]3CCSC3)CC2)C1 834979076 FQAYHPHHDQUFOA-JBZHPUCOSA-N 296.480 3.587 30 20 CHED N#CCCCCCC(=O)NCCCn1ccc2ccccc21 588261999 CEQACTRXFGFFQR-UHFFFAOYSA-N 297.402 3.622 30 20 CHED C=C(C)COc1cccc(NC(=O)Cc2ccc(F)cc2)c1 589384467 GAHOKUPDTOYIAS-UHFFFAOYSA-N 299.345 3.962 30 20 CHED N#Cc1ccc(OCCCSCc2ccncc2)cc1 901632692 ZGACUFHGKLFKGF-UHFFFAOYSA-N 284.384 3.656 30 20 CHED Cc1noc([C@@H](C)ON=Cc2ccc(C(C)C)cc2)n1 736297604 YTKVBEAJGUUYEI-LLVKDONJSA-N 273.336 3.613 30 20 CHED CC[C@@H](N[C@H](C)c1cccnc1)c1cccc(C#N)c1 902726995 WAQPQEZWCNOGBS-CXAGYDPISA-N 265.360 3.755 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 837405484 TXCVBELXPXRNHH-INIZCTEOSA-N 296.414 3.714 30 20 CHED Cc1cccnc1[C@@H](NC(=O)CCCCCC#N)C(C)C 588460443 MXNDQIFKFRABHQ-INIZCTEOSA-N 287.407 3.677 30 20 CHED Cc1cccc([C@H](C)/N=C\c2cccc(O)c2O)c1C 734366163 GQZRHQOUTZXEHW-VQIMKDEXSA-N 269.344 3.895 30 20 CHED CCc1cccc(Cl)c1C=NN[C@H](C)C(F)(F)F 834997667 HNQFNIDUGXXMCI-MRVPVSSYSA-N 278.705 3.777 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc(N(C)C)cc2C)n1 734482717 SRNROVWLIBIBSK-UHFFFAOYSA-N 294.402 3.557 30 20 CHED CCCn1cccc1C=NNc1cc(C)ccc1C 918152684 OEGRZJFEVDNRLS-UHFFFAOYSA-N 255.365 3.961 30 20 CHED C=C(C)CCNC(=O)N[C@](C)(CC)c1ccccc1 838358913 RBRAIKQHWYMKFM-MRXNPFEDSA-N 260.381 3.577 30 20 CHED CC(=NNC(=S)Nc1ccccc1)c1ccc(C)s1 917024842 AQPJEXDTEROPDZ-UHFFFAOYSA-N 289.429 3.767 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](Oc2ccccc2)C1 592136331 FHFHJIXHWKDCCG-IBGZPJMESA-N 292.382 3.520 30 20 CHED CC[C@H](CC(=O)Nc1nc(C)cc(C)c1C#N)C(C)C 598853067 KPCNSFADAJLTOF-CYBMUJFWSA-N 273.380 3.581 30 20 CHED Cc1cccc([C@H]2CCCCN2C(=O)C#CC2CC2)c1C 837444506 VRMHTPBBPSJYKM-GOSISDBHSA-N 281.399 3.770 30 20 CHED C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(C2CC2)c1 598619874 XZEDYYWZHYERMD-DYVFJYSZSA-N 286.419 3.515 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)SCCCC)C1 597998132 MEJVQUMTZNUITH-UONOGXRCSA-N 269.454 3.723 30 20 CHED Cc1cc(NC(=O)N2CCC[C@H](CC#N)C2)ccc1Cl 596942598 BYVREJUABDEAKP-GFCCVEGCSA-N 291.782 3.806 30 20 CHED C=CCCSCCN[C@@H](C)c1cc(C)c(C)o1 595057291 BZOMPOAWJKXJAS-LBPRGKRZSA-N 253.411 3.856 30 20 CHED Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H](CC#N)C2)cc1 597175042 UXYSIZRHFBVGQN-HNNXBMFYSA-N 294.402 3.511 30 20 CHED C=CCCC[C@H](C)OC(=O)c1cnc2n1[C@@H](C)CCC2 845285993 LBJSNBAVSYKJPG-STQMWFEESA-N 276.380 3.682 30 20 CHED CCOc1cccc([C@@H](C)/N=C\c2cccc(O)c2O)c1 745012613 NFJRDYQQEQCGQD-OTWJJXBCSA-N 285.343 3.677 30 20 CHED N#CC1(CCN2C[C@H](CO)Cc3ccccc32)CCCCC1 591037891 CXIVWUVUHDNTIX-MRXNPFEDSA-N 298.430 3.522 30 20 CHED CC(=NNc1cncc(Cl)n1)c1cccc(Cl)c1 914559530 FGNRQELBVBSBJS-UHFFFAOYSA-N 281.146 3.620 30 20 CHED COc1ccc(C)cc1CSCC1(CC#N)CC1 594892318 TYQLGXBFOJEVHY-UHFFFAOYSA-N 261.390 3.931 30 20 CHED C=CCCCCCN(C)Cc1nc2c(s1)CCC2 678831173 HJVLFIWFJBPNCO-UHFFFAOYSA-N 264.438 3.810 30 20 CHED Cc1ccccc1NC1(CNC(=O)CCCC#N)CCCC1 597729261 HFTVUFLNWYMQHY-UHFFFAOYSA-N 299.418 3.530 30 20 CHED CC#CCOC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 744988020 WOWBQJUDICPLOD-DLBZAZTESA-N 264.324 3.510 30 20 CHED CC(=NOCc1ccccc1)c1ccc2c(c1)CCC(=O)N2 915959405 CWOMJJCQFPKRHF-UHFFFAOYSA-N 294.354 3.512 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(Oc2ccc(F)cc2)nc1 596997100 YCXDJWISBJFSAX-CYBMUJFWSA-N 299.349 3.747 30 20 CHED N#CC1(C(=O)Oc2cccc3sccc23)CCCC1 847122302 LOBQFRUNMRCOIP-UHFFFAOYSA-N 271.341 3.891 30 20 CHED Cc1c(NN=C[C@H]2C[C@H]3CC[C@H]2C3)cccc1C(=O)O 844625270 XXQFHGZXBLLQJZ-RWMBFGLXSA-N 272.348 3.527 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(OC2CCC2)c(F)c1 748947759 GSWWYIUBOFHGMF-UHFFFAOYSA-N 298.745 3.631 30 20 CHED Cc1ccc2c(C)cc(NN=Cc3cccn3C)nc2c1C 916543174 LBPFFNVOOFDXKB-UHFFFAOYSA-N 292.386 3.945 30 20 CHED C#CC1CCN(C(=O)Nc2ccc3c(c2)CCCCC3)CC1 844810911 HWTBTMZNJHJCTF-UHFFFAOYSA-N 296.414 3.833 30 20 CHED C=CCC(C)(C)CNC(=S)NCCCCC(F)(F)F 840748537 GXUQUYOGCAIIOT-UHFFFAOYSA-N 296.402 3.785 30 20 CHED CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 912077852 LQOZQVCBRZJLDR-BBRMVZONSA-N 285.391 3.593 30 20 CHED C=C(C)CONC(=O)c1cc(C(C)C)nc2ccccc12 846539628 BOJPURYWABMDCM-UHFFFAOYSA-N 284.359 3.596 30 20 CHED CCc1c(C(=O)N(C2CC2)[C@H](C)C#N)oc2ccccc12 598134722 KYSHBQHOMWWLEN-LLVKDONJSA-N 282.343 3.512 30 20 CHED N#CCCCCOC(=O)Cc1ccc(Cl)c(Cl)c1 912956686 REDHDRKEASQTDI-UHFFFAOYSA-N 286.158 3.773 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C/C1CCCC1 843578837 PBUQNGSNPWEBAS-ZHACJKMWSA-N 262.397 3.664 30 20 CHED CC1(C)Cc2cccc(NCC3(CC#N)CC3)c2O1 593930817 DBUKBWYDJXJKQT-UHFFFAOYSA-N 256.349 3.506 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccc(Cl)nc1)C2=O 748997380 JXMJVLYRQAOXBB-GHXNOFRVSA-N 285.730 3.702 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1cccc(C#N)c1 596435144 BBHOOJAXJOWCJY-CYBMUJFWSA-N 285.391 3.663 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cnn(CC(C)C)c1CC 685009679 KZJGFSUVPKZLBQ-CYBMUJFWSA-N 292.427 3.578 30 20 CHED C=CCN(C(=O)Nc1ccccc1OCC1CC1)C(C)C 741075454 YILMKPPTNNMCIX-UHFFFAOYSA-N 288.391 3.904 30 20 CHED CC(=NNc1cccc2ccccc12)c1csc(N)n1 747059999 FNVCMUIPSIELMZ-UHFFFAOYSA-N 282.372 3.715 30 20 CHED C[C@H](CC#N)OC(=O)c1csc(C2CCCCC2)n1 842310928 OUBFHNIYCNOUHW-SNVBAGLBSA-N 278.377 3.650 30 20 CHED C[C@@H]1/C(=C/c2c(C3CC3)cnn2C)C(=O)c2ccccc21 849249588 JNBYTMRKKSMUCW-GPILYODUSA-N 278.355 3.681 30 20 CHED CCC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@@H]1C[C@@H]1C 841605383 ZXXNMGIGPIRQQS-WCBMZHEXSA-N 280.755 3.872 30 20 CHED C=CCCCn1c(=O)oc2ccc(Br)c(C)c21 685285396 YQDMEAKKTIQFOK-UHFFFAOYSA-N 296.164 3.632 30 20 CHED FC(F)CON=Cc1cc(Cl)ccc1Br 758902062 AKGMUMWMMPTSOO-UHFFFAOYSA-N 298.514 3.718 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2[C@H](C)C1 758375272 OZSIIPKEUJXCSC-CQSZACIVSA-N 269.388 3.901 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc(C(C)(C)O)cc1 926566546 AAKJXGRIKXCIRF-CYBMUJFWSA-N 274.408 3.504 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N(C)C2(C#N)CCC2)cc1C 921167158 KCXWWAIXYQORGP-SREVYHEPSA-N 282.387 3.530 30 20 CHED C=C(Cl)COc1ccc(NC(=O)CCC)cc1C(C)=O 853644834 BDTBDHJSQYOBOR-UHFFFAOYSA-N 295.766 3.759 30 20 CHED C[C@H]1CCCCN1N=CC1CCN(Cc2ccccc2)CC1 853384231 JHOCRSPPWSYQMW-KRWDZBQOSA-N 299.462 3.759 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@](C)(CC)c1ccccc1)OCC 755884137 SDGUVEGXNHZGJO-AEFFLSMTSA-N 289.419 3.799 30 20 CHED C=CCc1cc(OC)cc(CN2CCC[C@H]2CC)c1O 754726706 NDGLIXGEYCGIRJ-OAHLLOKOSA-N 275.392 3.504 30 20 CHED C=C[C@@H](OC(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1 851452793 WQDJGICFZPXRAG-CHWSQXEVSA-N 266.287 3.892 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCc2ccccc21 929742708 ABCWCWYLNYHIML-XJKSGUPXSA-N 257.377 3.735 30 20 CHED C=CCC(CC=C)C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] 759053167 XLJQNPUNRWXXPO-UHFFFAOYSA-N 289.331 3.885 30 20 CHED C=CCCONC(=O)C1CCC(c2ccccc2)CC1 856032648 PEWMZDQHIFEUIP-UHFFFAOYSA-N 273.376 3.584 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CC[C@H]2CCCC[C@H]2C1 759205832 GGBINCKCKILVRV-NEPJUHHUSA-N 288.351 3.748 30 20 CHED C#CC[C@H](NC(=O)CC1CCCCC1)c1ccccc1 757578047 IVKDJWDIGPCWHG-KRWDZBQOSA-N 269.388 3.838 30 20 CHED C#CCOc1ccccc1OCc1oc(CCC)nc1C 853666604 JOLKXSHZQZTMFK-UHFFFAOYSA-N 285.343 3.527 30 20 CHED N#CC1(CCCCN[C@H](c2ccncc2)C2CC2)CCC1 934697170 HVYAYKPHABHUCR-KRWDZBQOSA-N 283.419 3.986 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(-c2ccccc2Cl)o1 754358426 ZLDZZWNZTBEAHA-NSHDSACASA-N 287.746 3.742 30 20 CHED C#CCCCSc1nc(C2CC2)n(-c2ccccc2)n1 766285518 VOXLCMZBLRPXJF-UHFFFAOYSA-N 283.400 3.650 30 20 CHED Cc1cc(C=NNc2cccc([N+](=O)[O-])c2C)c(C)o1 767908259 OXXMMRIAGLCISA-UHFFFAOYSA-N 273.292 3.559 30 20 CHED Cc1cc(/C=C2\CCOc3ccccc3C2=O)ccc1C#N 766491976 SJVMEECYGYVBRD-RVDMUPIBSA-N 289.334 3.916 30 20 CHED Clc1cccc(C#CCN[C@@H](c2ccncc2)C2CC2)c1 934694936 JQZCUIWKLOLJIZ-GOSISDBHSA-N 296.801 3.827 30 20 CHED N#Cc1ccc(F)c(CN2CCc3cc(Cl)ccc32)c1 864028340 TZOOFHDXBAWRBY-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](F)C(C)C)CCCC1(C)C 767217982 DGDHNMDMOAHVAN-CHWSQXEVSA-N 255.377 3.574 30 20 CHED C=CC[C@H](NC(=O)c1cccn1C(C)C)c1ccncc1 764023940 YQFHEHCTCVWBLU-HNNXBMFYSA-N 283.375 3.511 30 20 CHED N#Cc1ccc(OC(=O)CCCC2CCCC2)c(F)c1 769739929 MKJBKNDQQOSAJJ-UHFFFAOYSA-N 275.323 3.963 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(F)cc1F 1116632986 JEPPROLIPFXOLM-QLJPJBMISA-N 294.345 3.513 30 20 CHED Cc1cccc(NN=C2C[C@H](C)c3c(C)ccc(O)c32)n1 1118953400 PWBWRJMCCOOCOE-NSHDSACASA-N 281.359 3.727 30 20 CHED C#CCCCOc1ccc(Cl)cc1C(=O)CC 766283649 IJPGHTPCPVHWBL-UHFFFAOYSA-N 250.725 3.725 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1ccc(C)c(-c2ncco2)c1 878957588 IRIITNXFCTUVEL-QGZVFWFLSA-N 297.358 3.573 30 20 CHED CCCc1nc(CNc2ccc(OC)c(C#N)c2)cs1 871867009 XIYDNBZCTCCQBL-UHFFFAOYSA-N 287.388 3.588 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1ccc(Cl)nn1 779757934 MRIQINUKSCMMMN-JTQLQIEISA-N 268.792 3.990 30 20 CHED COc1ccc2c(c1)C(=NOC1CCCC1)CCCO2 774609839 ZQXHTGQLUVLPDV-UHFFFAOYSA-N 275.348 3.531 30 20 CHED COc1ccc2cc(/C=C/C(=O)OC[C@H](C)C#N)ccc2c1 770941626 ICWPNLOOOGIQSL-FLUIGGAXSA-N 295.338 3.564 30 20 CHED C=CCCCCNC(=O)/C=C\c1ccc2[nH]ccc2c1 770082741 RCTVJEVJIBVEJD-CLFYSBASSA-N 268.360 3.654 30 20 CHED C=C(CC)COC(=O)Cc1nc(-c2ccsc2)oc1C 773504740 GZCYNLYNTYGGTP-UHFFFAOYSA-N 291.372 3.763 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)cc1F 776725779 FPBAMJLEXXLAFY-RJRFIUFISA-N 287.240 3.872 30 20 CHED Cc1cccnc1C=NNc1ccccc1OC(F)(F)F 777451866 QGINIJGSLSWBBB-UHFFFAOYSA-N 295.264 3.735 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccc2c(c1)COC2 778033825 XKIRJZXGPFXWQE-UHFFFAOYSA-N 279.339 3.784 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CC2CCC1CC2 1125262817 AOTDDAJLPUBLPS-PESDSKBTSA-N 299.418 3.880 30 20 CHED CN(C(=O)CCCc1ccsc1)c1ccccc1C#N 783500467 HEZYUNNFUUBYSU-UHFFFAOYSA-N 284.384 3.605 30 20 CHED C=CCCN(C)Cc1c(O)ccc2ccc(OC)cc12 786100549 BQQCSGIDBJMTRI-UHFFFAOYSA-N 271.360 3.562 30 20 CHED N#Cc1cccc(CSCC(=O)OC2CCCCC2)c1 783498198 XUVIKYWCSLGQIW-UHFFFAOYSA-N 289.400 3.667 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C/C1CCCCC1 783716003 JYBDMERJISKNRJ-MDZDMXLPSA-N 263.381 3.996 30 20 CHED CCC(=NNc1ccnc(F)c1)c1ccc(C)cc1 781129373 GGOMZDLVQYSSOQ-UHFFFAOYSA-N 257.312 3.755 30 20 CHED c1ccc2c(=NN=C3CCC4(CCCO4)CC3)cc[nH]c2c1 788020541 NNVUUMJFOZNIAQ-UHFFFAOYSA-N 295.386 3.548 30 20 CHED CCCC1(C(=O)OCCCC(C)(C)C#N)CCC1 784118242 ROSPWZRFHIIQSB-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CCC[C@@H](C)C(CC)=NNCCC(=O)OC(C)(C)C 783863078 JULQNIXQYANQOG-GFCCVEGCSA-N 270.417 3.510 30 20 CHED CC(=NN[C@H](CO)c1ccccc1)C1CCC(F)(F)CC1 788459292 FPQRAGFATIUGSW-OAHLLOKOSA-N 296.361 3.511 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2cnn(C3CCC3)c2)cc1 897876102 NFXNIPWZHVOFRR-CYBMUJFWSA-N 296.374 3.511 30 20 CHED Cc1cc(C)c(C=NNc2ncncc2Cl)c(C)c1 780278955 HMKNJRHTNYFNKQ-UHFFFAOYSA-N 274.755 3.501 30 20 CHED O=C(/C=C\c1cnn(CC2CCC2)c1)c1ccc(F)cc1 899336355 UJBRMPSBWFHAGM-WTKPLQERSA-N 284.334 3.718 30 20 CHED Cc1ncoc1-c1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 896702804 QHCMMFDJOTWDLM-SWLSCSKDSA-N 267.332 3.754 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2cnccc2C)CCCCC1 788238255 KGNJXMXPXKWLJO-HNNXBMFYSA-N 284.403 3.541 30 20 CHED Cc1c(NN=C2CCC(C)(C)C2)cccc1[N+](=O)[O-] 783847029 QTBFEONUJMBPRH-UHFFFAOYSA-N 261.325 3.881 30 20 CHED N#CC1(CCCC[S@](=O)Cc2cccc(F)c2)CCC1 899381029 LMXXSAMJBODPFM-FQEVSTJZSA-N 293.407 3.939 30 20 CHED N#Cc1ccc(N2CCSC3(CCCCC3)C2)c(F)c1 301512434 BULSQBGGRHWGKB-UHFFFAOYSA-N 290.407 3.953 30 20 CHED C#CCC(C)(C)C(=O)OCc1cc(F)ccc1Cl 782312974 BOXMCFXBVQBFCG-UHFFFAOYSA-N 268.715 3.572 30 20 CHED N#Cc1ccc(Cl)cc1N1CCc2cccc(F)c2C1 301922912 GFGGZEYCZCHNHC-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=C[C@H](Cc1nc(C(C)(C)COC)no1)c1ccccc1 896591817 WZMZZZSQTMDITL-CYBMUJFWSA-N 286.375 3.506 30 20 CHED N#Cc1cccc(N(C(=O)c2cccc(F)c2)C2CCC2)c1 1131152985 OIIFVECHSVLWNU-UHFFFAOYSA-N 294.329 3.897 30 20 CHED O=C1c2ccccc2CN1N=Cc1ccc2c(c1)CCCC2 793040276 SUACUUIEBXTMDO-UHFFFAOYSA-N 290.366 3.555 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCCO3)CCc2scnc21 899386723 DHBACQNDZGOKET-LCYFTJDESA-N 297.379 3.681 30 20 CHED CC(C)C[C@H](C)C=NNc1nc(-c2ccccc2)no1 799112673 UQUVAHCJZAMVQT-LBPRGKRZSA-N 272.352 3.817 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)CC[C@@H](C)CC 796640356 NFKKDLXIWSORSG-LBPRGKRZSA-N 277.339 3.603 30 20 CHED CCOCc1cc(C=NOC[C@@H](C)CC)ccc1OC 793158431 FWRFQWAGVVQBRC-ZDUSSCGKSA-N 279.380 3.628 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3c2N=S=N3)cc1 1132015304 QPETXBJQRNAKPR-UHFFFAOYSA-N 280.312 3.537 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)Cc1ccc(Cl)cc1Cl 1134208731 MLISFTPSZATGHX-LBPRGKRZSA-N 299.201 3.687 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2Cl)cc1C#N 799292652 JOPCAJKVUQNTJY-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CCc1nc(COc2ccc(C#N)c(Cl)c2)cs1 190252193 UQBIVQUUACXDMR-UHFFFAOYSA-N 278.764 3.810 30 20 CHED FC(F)(F)CCNN=CC1CCC(C(F)(F)F)CC1 794552570 OTLFGQWZHBTHQP-UHFFFAOYSA-N 290.251 3.883 30 20 CHED Clc1cccc(Cl)c1CNN=Cc1cccnc1 793116880 GGVYGRPGEQXODD-UHFFFAOYSA-N 280.158 3.512 30 20 CHED CC[C@H](C)C=NNc1ncnc(Cl)c1C(C)C 797403957 DBMLUJCAGGQBJN-VIFPVBQESA-N 254.765 3.697 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC2(CCCCC2)CC1 61821239 OHNFQKNIRKCSNS-UHFFFAOYSA-N 276.424 3.889 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1cccc2cnccc12 799453166 WKIWCPDHCXUQIR-CMDGGOBGSA-N 299.333 3.758 30 20 CHED COC(=O)c1cccc(CSC/C(C)=C/Cl)c1C#N 797811605 MLBATSYYFBCJIG-UXBLZVDNSA-N 295.791 3.721 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)s1 695702626 AFOMBVSOJMQNKO-UHFFFAOYSA-N 276.748 3.834 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccc(F)cc1 695718291 AIZKKWNSKDXJMK-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCCCC1(F)F 695835046 FYDXROLOAZHVBD-RYUDHWBXSA-N 258.356 3.730 30 20 CHED C=CCCOCCN[C@H](C)c1sc(C(C)(C)C)nc1C 90883942 JJNKLZAHDULUCZ-GFCCVEGCSA-N 296.480 3.992 30 20 CHED N#Cc1csc(CNC23CC4CC(CC(C4)C2)C3)c1 93684838 MXDRQQDNQBHVLW-UHFFFAOYSA-N 272.417 3.678 30 20 CHED CN(Cc1cc(C#N)ccn1)C1CCC(C(C)(C)C)CC1 1232479972 DIMYHYHMIJAFSG-UHFFFAOYSA-N 285.435 3.990 30 20 CHED C=CCn1cnnc1SCCSC1CCCCC1 1321356216 FPFCUFYYLIOWRN-UHFFFAOYSA-N 283.466 3.622 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncccc1OC(C)C 1324427492 KDMHIIFIZLEUMP-UHFFFAOYSA-N 274.364 3.576 30 20 CHED C[C@H]1[C@H](Cc2ccccc2)CCN1c1cccc(CC#N)n1 1325709992 KRLAYAOZXFTXLZ-RDJZCZTQSA-N 291.398 3.605 30 20 CHED Cc1ccc(C#N)c(S[C@H]2CCc3ccccc3C2)n1 1186999757 VKGNAVMXXBGEHD-INIZCTEOSA-N 280.396 3.911 30 20 CHED CC(C)[C@H](C#N)C=NNc1ccc(C(F)(F)F)cc1 1253448129 CVYSWLDYEACDMK-SNVBAGLBSA-N 269.270 3.899 30 20 CHED C=CCCOCCCCc1nnc(-c2ccccc2)o1 1330035598 FLTPNDQJSYDEEF-UHFFFAOYSA-N 272.348 3.652 30 20 CHED Cc1ccc(C2(C(=O)O[C@@H]3CC[C@H](C#N)C3)CCC2)cc1 1263385264 NXJONYBBOLZMMT-GOEBONIOSA-N 283.371 3.652 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1csc(C#N)c1 1337670749 YKPPPRQVQDLHIQ-OAHLLOKOSA-N 282.368 3.727 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccc([C@@H]2CCOC2)cc1 1343881382 FMKBPHIQWFFVDG-MRXNPFEDSA-N 289.338 3.677 30 20 CHED C=C(C)CN(CC)c1nnc([C@H](C)OC(C)(C)C)n1CC 1342683632 TZSHXXGSJXUSTC-ZDUSSCGKSA-N 294.443 3.577 30 20 CHED C=C[C@H](C(=O)Nc1scnc1C1CC1)c1ccccc1 1348173040 HVVPRQZCYSVIBQ-ZDUSSCGKSA-N 284.384 3.929 30 20 CHED C[C@@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)C(C)(F)F 1262101307 VKJVLKCAWDYLJK-NSHDSACASA-N 292.329 3.735 30 20 CHED CCCCN(C(=O)c1cccc(C#N)c1C)c1ccncc1 1349576267 CCYNCRRDEFOHTK-UHFFFAOYSA-N 293.370 3.709 30 20 CHED C=CCn1c([C@@H](C)CC2CCCCC2)nnc1N(C)OC 1355886385 FPKKKFNRWZTDSB-ZDUSSCGKSA-N 292.427 3.536 30 20 CHED CCCCCCCC(=O)Nc1ccc2[nH]ncc2c1 105774096 PCFNPHSGNQFHFJ-UHFFFAOYSA-N 259.353 3.862 30 20 CHED CC(C)Nc1cccc(F)c1NC(=O)c1ccc(C#N)cc1 1452528725 AFBFOOOGVRLKHM-UHFFFAOYSA-N 297.333 3.770 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CCc3cc(F)ccc32)cc1 1523229195 PQNOFXDOJPYBMT-KRWDZBQOSA-N 294.329 3.560 30 20 CHED CCC[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(C)(C)C 1464910848 LODQZHCMYBEAHB-CQSZACIVSA-N 273.380 3.895 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCc1ccc2occc2c1 1525623872 RRKBNRWGIFECRL-UHFFFAOYSA-N 291.306 3.970 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)Cc2cccc(F)c2)c1 1460862011 GHOHMZDQVMRQQS-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED CCSc1ccc(C(=O)Nc2cc(C)cc(C#N)c2)cn1 1535892729 CLODYNDAHPNIRN-UHFFFAOYSA-N 297.383 3.626 30 20 CHED CC[C@@H]1CCCN(CCc2ccc(C#N)cc2)CC1 1473161495 UKFDOXNMCKUSQI-OAHLLOKOSA-N 256.393 3.613 30 20 CHED N#Cc1nc(=NCC2(C3CCCCC3)CCCCC2)cc[nH]1 1472747011 KBTXJSOYDOZEAP-UHFFFAOYSA-N 298.434 3.713 30 20 CHED N#Cc1ncccc1SCc1cc(F)cc(F)c1 1656554053 ZBUKMQGFHCBDMF-UHFFFAOYSA-N 262.284 3.524 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1C[C@H]1C1CCC1 1651172272 XDMGWBUPDKCSIN-RYUDHWBXSA-N 295.308 3.820 30 20 CHED CC(C)(CCC#N)CNc1cc2c(cc1Cl)OCO2 123875959 DLAVQNBMOMQROP-UHFFFAOYSA-N 280.755 3.811 30 20 CHED C=CCc1ccccc1CN1CCC(CC=C)(C(=O)O)CC1 1776187989 RLAXVLOXYPHHCQ-UHFFFAOYSA-N 299.414 3.658 30 20 CHED N#Cc1ccsc1NC(=O)/C=C/SCc1ccco1 150907231 DGPRYGKYSYBBBF-GQCTYLIASA-N 290.369 3.598 30 20 CHED Cc1ccc(C#N)c(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)n1 161513273 FAIPVBRMCRAPKI-XJKSGUPXSA-N 295.361 3.783 30 20 CHED Cc1ccc(SCCN(C)[C@H](C)CC#N)cc1C 161994275 PYKPKKKMJGUTNR-CQSZACIVSA-N 262.422 3.630 30 20 CHED N#Cc1ccc(Oc2ccnc(Cc3ccccc3)n2)cc1 164928618 BWODFZXUOVPOBJ-UHFFFAOYSA-N 287.322 3.731 30 20 CHED C=C(Cl)CN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21 168837247 VAKNEAQFRISTPH-GXSJLCMTSA-N 251.757 3.591 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc(F)c2)c1OC 205667160 IJRCTYOKAGVVHG-KTKRTIGZSA-N 286.302 3.739 30 20 CHED CC(C)(CCc1ccccc1)NCCCSCC#N 151943301 RGUIOMWBWJFWLL-UHFFFAOYSA-N 276.449 3.634 30 20 CHED COc1ccc([C@@H]2CCCN2Cc2cc(C#N)cs2)cc1 155149344 QLALPCFDCVCQJY-KRWDZBQOSA-N 298.411 3.965 30 20 CHED CCCCN(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 157761888 MUTMAYFOMKVHKG-UHFFFAOYSA-N 289.379 3.609 30 20 CHED C=C(C)CNC(=O)N1CC=C(c2ccccc2Cl)CC1 156631177 JZMNMXSFVJKAKL-UHFFFAOYSA-N 290.794 3.715 30 20 CHED C=CCC[C@H](NCc1ccc(N(C)C)nc1)c1ccccc1 159901361 KXRITHKEGCRZGF-SFHVURJKSA-N 295.430 3.945 30 20 CHED C[C@@](CC=O)(C(=O)C1CCCCC1)c1ccccc1 36431337 VMWJZMSNIHEFEC-KRWDZBQOSA-N 258.361 3.683 30 20 CHED CCCCCC(C)(C)CNC(=O)C1(C#N)CC(C)C1 125827395 MJCMIXNPLWEINB-UHFFFAOYSA-N 264.413 3.649 30 20 CHED N#CCOc1ccc(CNC2CCCCCCC2)cc1 34991134 AMFSDPGUEFUWFM-UHFFFAOYSA-N 272.392 3.791 30 20 CHED CCN(Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)C#N 42287655 YEKYKXJKEKQJRQ-AWEZNQCLSA-N 258.409 3.966 30 20 CHED Cc1ccc([C@@H](C)Nc2nc3c(cc2C#N)CCC3)s1 44377420 PDULWTSGICGDSE-LLVKDONJSA-N 283.400 3.985 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(C)on1 279240323 FWCGCDHFILQNHS-UHFFFAOYSA-N 256.349 3.561 30 20 CHED CCCCC[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 49099670 FYYFKPIECCCHSN-NSHDSACASA-N 261.325 3.847 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)C1CCCCC1 52338266 LPXIZDMIVJNPKG-LBPRGKRZSA-N 260.356 3.756 30 20 CHED CCCCCCCCS(=O)(=O)c1ccc(C(=O)O)cc1 59089345 PIJUHUDVRZQPCP-UHFFFAOYSA-N 298.404 3.519 30 20 CHED CCC[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 552827969 APJRITOWMFRYBZ-CYBMUJFWSA-N 260.356 3.709 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 597669671 VRWPYYKSAFKMID-QMMMGPOBSA-N 271.147 3.790 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N1CCC[C@@H](CC#N)C1 597900441 AMZLFFFAQXKZAC-HOTGVXAUSA-N 276.424 3.911 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cncc2ccccc12 396493002 QDAMVMDJMMRMKW-UHFFFAOYSA-N 267.332 3.503 30 20 CHED C=CCSc1nc2cc(Cl)ccc2c(=O)n1CC=C 58085063 JJAIGEAZODYWLZ-UHFFFAOYSA-N 292.791 3.514 30 20 CHED CC[C@@H](/N=C/c1cc(OC)ccc1O)c1nc(C)cs1 105356623 PJYHSGYQLQHPJQ-WJHGTXIHSA-N 290.388 3.736 30 20 CHED CSc1cccc(NC(=O)c2sccc2C#N)c1 52027768 FMTVMSCFFPMNCI-UHFFFAOYSA-N 274.370 3.594 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(F)cc1 23715180 WTGDMFGHPAAWGL-MRXNPFEDSA-N 282.318 3.578 30 20 CHED N#CCSc1ccc(Cl)c(C(F)(F)F)c1 58033718 CFSFEQTZEYZDFP-UHFFFAOYSA-N 251.660 3.974 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(CC)cc1 106422574 FZCQZCQNHAVFJL-UHFFFAOYSA-N 272.392 3.841 30 20 CHED CC(C)(C#N)COC(=O)c1ccnc2cc(Cl)ccc12 1343232626 NRHGGRQENLMAIT-UHFFFAOYSA-N 288.734 3.595 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)n(-c2ccccn2)c1C 67794019 DXQNTGDCWQVJCS-UHFFFAOYSA-N 297.402 3.527 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)Cc1cccs1 178570445 QZVFUEUWHZMKPK-LLVKDONJSA-N 299.399 3.681 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCc2occc21 178538923 BSFGPMJEJOREQN-HNNXBMFYSA-N 295.342 3.659 30 20 CHED CCn1cc(C(=O)OCC2(CC#N)CC2)c2ccccc21 174737015 WMSQJWNSYGLSEW-UHFFFAOYSA-N 282.343 3.512 30 20 CHED CN(C[C@H](C#N)CCC#N)CC12CC3CC(CC(C3)C1)C2 28922735 DNRVYEFLVQZCLJ-NUVRTYOOSA-N 285.435 3.578 30 20 CHED N#Cc1ccc(NCc2cccc(OCC(F)F)c2)cc1 301182723 NTCZBIUXLCXWET-UHFFFAOYSA-N 288.297 3.814 30 20 CHED C[C@H](C1CC1)N(C)CC#Cc1ccc(C(F)(F)F)cc1 177267572 XXAAIDHNHSBQOD-GFCCVEGCSA-N 281.321 3.787 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H](C)Oc2ccccc2)c1 302079136 BDXDRLUEJWIQHZ-CYBMUJFWSA-N 294.354 3.640 30 20 CHED C=CCCCC(=O)N(CC(F)(F)F)c1nc(C)cs1 175658577 INLPUMCACDGEHA-UHFFFAOYSA-N 292.326 3.703 30 20 CHED N#CCCCOC(=O)C[C@@H](c1ccccc1)C(F)(F)F 171495183 RJDXVIYRROSDNA-LBPRGKRZSA-N 285.265 3.570 30 20 CHED CC(C)n1cc(/C=C2/CCc3cc(F)ccc3C2=O)cn1 176940633 DMGZNIZNQMDMPI-AUWJEWJLSA-N 284.334 3.816 30 20 CHED C=CCCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 175724909 RMNHAYYFWSMASV-UKRRQHHQSA-N 275.367 3.886 30 20 CHED CC(C)c1csc(CNCC(C)(C)CCC#N)n1 125581332 LVLWHQZJETVWCV-UHFFFAOYSA-N 265.426 3.686 30 20 CHED C[C@@H](NC(=O)NCCCCC#N)c1ccc2c(c1)CCCC2 171727901 PLRWWLCLFSWHSY-CQSZACIVSA-N 299.418 3.619 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(C)c(F)c1 121626762 WPCQSGIKFZKRMM-UHFFFAOYSA-N 261.340 3.519 30 20 CHED C#CCCCCC(=O)Oc1ccc(Br)cc1F 120379479 ZVBIPCGFYIJYLL-UHFFFAOYSA-N 299.139 3.687 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)ccn2)cc1Cl 125573538 SZRMALMRRQFBGG-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C#CCCCCC(=O)N(CC)[C@@H](CC)c1ccncc1 120192195 GDRBTGBYDPDNHE-INIZCTEOSA-N 272.392 3.575 30 20 CHED C[C@H](c1cccs1)[S@@](=O)Cc1cccc(C#N)c1 127678034 JMTGTLHVMONFDJ-ADLMAVQZSA-N 275.398 3.630 30 20 CHED COc1cccc(CCCSc2cc(C#N)ccn2)c1 126474639 JGZNUDAJRWXFIP-UHFFFAOYSA-N 284.384 3.687 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C)c(OC(F)F)c1 185573127 ZCJIMGJKXYYCCU-UHFFFAOYSA-N 281.302 3.584 30 20 CHED N#Cc1ccsc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 124606360 WXZWSRYWLGMNHF-CHWSQXEVSA-N 286.331 3.501 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1CC=CCC1)c1ccccc1 187180560 YLHFJJIZGRNRQE-NVXWUHKLSA-N 269.388 3.819 30 20 CHED Cc1ccccc1S(=O)(=O)/N=C(\O)C[C@H](C)CC(C)C 70029395 WQALZTLEPDRCCJ-GFCCVEGCSA-N 297.420 3.713 30 20 CHED CC[C@@H](C)CS[C@H]1CCN(c2sccc2C#N)C1=O 123923896 QJTATEWRHXHWPF-PWSUYJOCSA-N 294.445 3.504 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 500637292 UZDRTNOSDYILQD-GFCCVEGCSA-N 293.357 3.883 30 20 CHED Cc1ccccc1C[C@H]1CCCN1c1ncc(C#N)cc1F 413140693 LQLCJCNNTTVUKX-MRXNPFEDSA-N 295.361 3.612 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1cccc(Cl)c1Cl 125041234 BGLZOGLSRZUANU-SECBINFHSA-N 289.158 3.880 30 20 CHED C=CC[C@@H](C(=O)NCCCCCSC)c1ccccc1 189171920 OCKQYJLGENTVIU-MRXNPFEDSA-N 291.460 3.996 30 20 CHED Cc1cc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)co1 189164311 WAFPTVPYRNKZPP-UHFFFAOYSA-N 288.391 3.817 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCCCC 216314007 RDNCHBKBFNYNFG-UHFFFAOYSA-N 262.349 3.909 30 20 CHED Cc1ccc(SC[C@@H](C)NCc2ccc(C#N)o2)cc1 185797142 ZOYUTIBCXLBGEK-CYBMUJFWSA-N 286.400 3.730 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSc1ccc(OC)cc1 182617395 GUCPXCWHBCOBBA-CYBMUJFWSA-N 293.432 3.648 30 20 CHED CC[C@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 189685343 WXYZBFDKLOLKFD-DZGCQCFKSA-N 258.365 3.584 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cnn(CC)c1 414304312 OODIRXIMOBSZJY-MAUKXSAKSA-N 283.419 3.741 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N(CC)CCC#N 122959044 BURNVCARBMHIMX-UHFFFAOYSA-N 296.823 3.828 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)cc2)C1 504362071 JPSYHVDLIYIBJG-OCCSQVGLSA-N 256.349 3.713 30 20 CHED C=CCCCCCN1CCOC[C@H]1c1ccccc1 488446282 JZRGEZGQSNPVOI-KRWDZBQOSA-N 259.393 3.806 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCC(F)(F)C2)cn1 488448104 YTUJUCDJLAALJD-LLVKDONJSA-N 265.307 3.581 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(F)cc2)c1 33410871 PYEAPUNWGAISRJ-YFHOEESVSA-N 256.276 3.730 30 20 CHED C[C@H]1CC(C(=O)N(C)c2cccc(C#N)c2)C[C@H](C)C1 183425963 CHANJAPXWURYJY-CHWSQXEVSA-N 270.376 3.593 30 20 CHED CC(C)(CCC#N)CNCc1cc(Cl)cc2c1OCC2 184137347 FGAYCXDZHBZGRE-UHFFFAOYSA-N 292.810 3.694 30 20 CHED CCC[C@H](C(=O)N(C)c1ccc(C#N)cc1)C(C)C 489902226 UVJMPBAYKWZAHM-HNNXBMFYSA-N 258.365 3.593 30 20 CHED C=CCC[C@H](NCc1ccoc1C(=O)OC)c1ccccc1 180047759 VIZYPRKZLZKOTD-INIZCTEOSA-N 299.370 3.863 30 20 CHED N#CCCCN[C@H](c1ccc(F)cc1)C1CCCC1 180302268 LDRCBNYFDLGUQT-INIZCTEOSA-N 260.356 3.950 30 20 CHED N#CC1(COc2ccnc3c(Cl)cccc23)CCC1 419014115 CAPBKDYQBROYLQ-UHFFFAOYSA-N 272.735 3.961 30 20 CHED N#Cc1c(F)cccc1Nc1ccc(N2CCCCC2)nc1 506877642 WMFHOZZPDZFWRH-UHFFFAOYSA-N 296.349 3.826 30 20 CHED CC[C@@H](CC#N)NCc1cccc(-c2ccccn2)c1 184085402 NYRRMHRFTOXVAT-INIZCTEOSA-N 265.360 3.530 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1 78442129 CRCCZGMGSWHZOO-LBPRGKRZSA-N 291.310 3.748 30 20 CHED C=CCCC[C@H](C)NC(=O)N(Cc1cccnc1)C1CC1 181110809 ATFGAQCGZAMLOZ-AWEZNQCLSA-N 287.407 3.500 30 20 CHED C[C@H](CCNC(=O)c1sccc1C#N)c1ccccc1 410224212 NHUBXGPUNMJXCZ-GFCCVEGCSA-N 284.384 3.543 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCC[C@H]1CCOC 414291613 BJGDEFQTNOFZQP-OTWHNJEPSA-N 287.447 3.969 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1[N+](=O)[O-] 188331647 HWIMAWLRBSCIPO-CYBMUJFWSA-N 295.342 3.659 30 20 CHED Cc1csc([C@H](C)CN[C@@H](C)c2cccc(C#N)c2)n1 186568321 LDQCFJMWMSUFEE-YPMHNXCESA-N 285.416 3.778 30 20 CHED C[C@@H]1C[C@@H](C)N(c2ccc(C#N)cc2Br)C1 135516752 GUZWUDPSIFUYJV-NXEZZACHSA-N 279.181 3.555 30 20 CHED CC(C)[C@]1(C)C[C@@H]1/C(O)=N/[C@H]1CCC(O)=NC12CCC2 328738880 KYKIUTKSXUSTNP-XUJVJEKNSA-N 278.396 3.667 30 20 CHED C=CCn1c(SCC[C@@H](C)F)nnc1-c1ccccc1 505443085 CAKKDSUIDZUTRC-GFCCVEGCSA-N 291.395 3.971 30 20 CHED CCc1ccc2nc(N=C(O)C[C@@H]3CCOC3)sc2c1 329802039 YYJVOUPWYUIBIO-NSHDSACASA-N 290.388 3.873 30 20 CHED C=CCOc1ccccc1C(=O)N(C)C1CCCCC1 193018396 JREYBNYNUNCTAV-UHFFFAOYSA-N 273.376 3.656 30 20 CHED N#Cc1ccc(NCc2ccccc2CN2CCCC2)cc1 193388163 HHMIZIKIZUNZIE-UHFFFAOYSA-N 291.398 3.766 30 20 CHED C[C@@H]1CCc2nc(N=C(O)CC[C@H]3CCOC3)sc2C1 329626514 VMFKEQRSADYABC-MNOVXSKESA-N 294.420 3.673 30 20 CHED CCCCn1ncc(Nc2c(C#N)cccc2[N+](=O)[O-])c1C 425231581 DRAQQQNZHWIUCM-UHFFFAOYSA-N 299.334 3.515 30 20 CHED N#Cc1ccc(CN2CCN(C3CC3)c3ccccc32)s1 428421722 LTCVUKCJADGJSF-UHFFFAOYSA-N 295.411 3.609 30 20 CHED Cc1n[nH]c(/N=C(\O)[C@@H](C)c2ccc3ccccc3c2)n1 84599041 NXXWSNMDHPOIRC-JTQLQIEISA-N 280.331 3.658 30 20 CHED C=CCSCCNc1ccc(Br)cc1C#N 228554787 RGPVXLQZUIPAOT-UHFFFAOYSA-N 297.221 3.652 30 20 CHED O/C(=N/C12CC3CC(CC(C3)C1)C2)c1c[nH]c2ncccc12 328805702 KVOMIBWYZSGUQR-UHFFFAOYSA-N 295.386 3.836 30 20 CHED O=C1/C(=C\c2ccc(O)cc2)COc2ccc(Cl)cc21 83331374 IXQOMDXWZVUZFS-XFFZJAGNSA-N 286.714 3.704 30 20 CHED CC(C)N(Cc1cccnc1)Cc1cccc(F)c1C#N 428298927 VTZLSBVZBSWCIN-UHFFFAOYSA-N 283.350 3.503 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2cccc(CC#N)c2)cc1 49653470 XXNDUCJXNMWCEE-AWEZNQCLSA-N 278.355 3.552 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc2ncccc2c1 192977403 YAXFUZPTBFQMEV-KBPBESRZSA-N 254.377 3.925 30 20 CHED CC[C@H]1C[C@@H](C)CN1c1nc(C(C)(C)C)ccc1C#N 613425870 JJBDVGKOKOZXGO-OCCSQVGLSA-N 271.408 3.876 30 20 CHED CCCCCCCC[S@](=O)Cc1ccc(CO)cc1 190846547 UYTYTKHSSMNUNJ-IBGZPJMESA-N 282.449 3.788 30 20 CHED CC(C)N(C(=O)[C@@H](C)Sc1ccc(C#N)cc1)C(C)C 337913066 LDHWRJMRTFSFAF-CYBMUJFWSA-N 290.432 3.684 30 20 CHED C[C@@H](C(=O)Nc1ccc(F)cc1C#N)c1ccsc1 335286947 BKNDENRHPFPUSP-SECBINFHSA-N 274.320 3.501 30 20 CHED N#Cc1cc(NC[C@@H]2CCC[C@@H](N)C2)ccc1C(F)(F)F 420291150 VNDUOXOUXPGGBK-ZYHUDNBSSA-N 297.324 3.506 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ncc3c(c2C#N)CCC3)C1 425240636 YUPFJSFTQKWEND-OLZOCXBDSA-N 287.432 3.528 30 20 CHED CC(C)[C@@H](NCCOc1ccccc1C#N)c1ccccc1 511674932 MGAKSAYAMYEHMU-LJQANCHMSA-N 294.398 3.924 30 20 CHED N#CC1(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)CCC1 333630534 AEIJAFVQMIAOFX-MRXNPFEDSA-N 294.402 3.784 30 20 CHED Cc1cnc([C@@H](C)Sc2nc3c(c(C)c2C#N)CCC3)o1 336507062 QGDDAHSPAWATCM-LLVKDONJSA-N 299.399 3.900 30 20 CHED C=CCOCCN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 339193918 OTWNSDHHWYQJBK-AWEZNQCLSA-N 298.308 3.564 30 20 CHED CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 335003915 DROZMNNZYSQZGB-DLBZAZTESA-N 296.414 3.528 30 20 CHED C[C@@H]1C[C@H](NCCCC#N)c2ccsc2S1 336692071 KXDLGSRCWDPLHT-KOLCDFICSA-N 252.408 3.567 30 20 CHED C=C(C)COc1cc(CN[C@H]2CCC[C@@H]2C)ccc1OC 237180322 AHTIMUOXTVCVBC-HOCLYGCPSA-N 289.419 3.928 30 20 CHED CSc1c(F)cccc1C(=O)N[C@](C)(C#N)C(C)(C)C 439140804 QAQKPSWGGDQRQA-OAHLLOKOSA-N 294.395 3.606 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H](CC)c1ccccc1 435747226 FQKJUTIDLODBPX-NXHRZFHOSA-N 273.420 3.751 30 20 CHED CC(C)[C@H](C)Sc1nc2c(cc1C#N)CCCC2 232789615 MSFGQZNNAFCMBH-NSHDSACASA-N 260.406 3.969 30 20 CHED N#CCCCCN1CCC(OCc2ccccc2F)CC1 91862639 VXUJAALHSNOJNR-UHFFFAOYSA-N 290.382 3.501 30 20 CHED Cc1cc(CN(C)C(=O)C2(C#N)CCCCC2)ccc1F 436087760 YTQYKNYYFQELRS-UHFFFAOYSA-N 288.366 3.567 30 20 CHED N#Cc1ccc2nc(-c3cc4cc(F)ccc4o3)[nH]c2c1 340093800 BPROJMGGHDHEAE-UHFFFAOYSA-N 277.258 3.987 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)c2ccncc2)cc1 248699128 ZHLJWWOKKBTCDM-HUUCEWRRSA-N 295.386 3.565 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccsc2)s1 430590927 JGIQOLBRFKKXLI-JTQLQIEISA-N 290.413 3.992 30 20 CHED COc1cccc([C@@H]2CN(CC3(C#N)CCC3)CC2(C)C)c1 528621114 UDBKMLCTISXCSF-KRWDZBQOSA-N 298.430 3.814 30 20 CHED C=C(C)CSCc1ccc(OCC(F)(F)F)nc1 431316632 DEVIKZRYARFCLC-UHFFFAOYSA-N 277.311 3.832 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CC1 600927068 PPVGCXOLFHGALM-MSOLQXFVSA-N 298.430 3.930 30 20 CHED C[C@@H](CCC#N)CNCC1(Cc2ccccc2)CCC1 602568800 NCUCXRQKEBVFPQ-INIZCTEOSA-N 270.420 3.929 30 20 CHED N#C[C@H]1CC[C@@H](n2cc(-c3cccc4c3CCCC4)nn2)C1 600812792 GBMOWBLXVRSNDR-DZGCQCFKSA-N 292.386 3.689 30 20 CHED Cc1cc(-c2cc(C(F)(F)F)nn2C[C@H](C)C#N)c(C)o1 601932310 JIWOWPQIZJPCJJ-MRVPVSSYSA-N 297.280 3.938 30 20 CHED CC(C)(C#N)CCN[C@@H](c1ccc(F)cc1)C(F)(F)F 521926260 GOMBRQNAIFUUAK-LBPRGKRZSA-N 288.288 3.959 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(F)c(C#N)c1 341519047 AROBNVUMFNXCOK-MLGOLLRUSA-N 288.366 3.738 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(Cl)ccc1F 435737100 DMTKGMYEKZSGRS-NHYWBVRUSA-N 283.774 3.550 30 20 CHED CCN(Cc1cccc(Cl)c1)Cc1cccc(C#N)n1 602438002 AEALEEUZKHPLFK-UHFFFAOYSA-N 285.778 3.629 30 20 CHED COc1cccc(C[C@H]2CCCCCN2CCCC#N)c1 528749385 MQPNIKVESVKFEN-QGZVFWFLSA-N 286.419 3.786 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cnn(C(C)C)c1)CO2 254926838 BCPNLSSXWSDCPX-VIZOYTHASA-N 296.370 3.740 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(C)c(C(F)(F)F)c1 528028782 HTZZNENSJIQWIV-JTQLQIEISA-N 298.308 3.636 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 525706902 CVZJBPPEURUJEQ-ZBFHGGJFSA-N 293.326 3.510 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C\c1ccc(Cl)nc1 255297559 NAUOCHVVTNOEIL-VURMDHGXSA-N 297.745 3.567 30 20 CHED CCC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccn1 609585812 NTBCTNZZVCPCPK-AWEZNQCLSA-N 296.330 3.815 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)C(=O)[C@](C)(C#N)CC 345873777 FGDBBBHFXIQVHQ-YOEHRIQHSA-N 288.391 3.545 30 20 CHED Cc1ccc(C#N)c(NC2CC(c3ccccc3F)C2)n1 343035909 WHFNVIVUIFFHDR-UHFFFAOYSA-N 281.334 3.759 30 20 CHED CC[C@@H](N[C@@H](C)c1ccnc(OC)c1)c1ccc(C#N)cc1 348642786 NQZIYYFWVSCKCY-SUMWQHHRSA-N 295.386 3.764 30 20 CHED Cc1cc(NCc2cn3ccccc3c2C#N)ccc1F 446630280 FJHOUMMOZQPKOE-UHFFFAOYSA-N 279.318 3.871 30 20 CHED CCc1cnccc1-c1noc(-c2cccc(C#N)c2C)n1 346980783 FEZXNBLJCCNNRX-UHFFFAOYSA-N 290.326 3.541 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1nc(C2CC2)cs1 342695659 PLOJXYHTVMOYRG-UHFFFAOYSA-N 283.400 3.524 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1/Cc2ccc(F)cc2C1=O 255765260 AOSBOBCUFAISSK-XFFZJAGNSA-N 284.334 3.669 30 20 CHED CCc1cccc2c(CCN[C@H]3CC[C@H](C#N)C3)c[nH]c12 442774540 ANXSPZJVQCIHRI-BBRMVZONSA-N 281.403 3.555 30 20 CHED CC(C)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 444851825 SMITWSHMPJLJTB-LBPRGKRZSA-N 289.354 3.597 30 20 CHED N#Cc1ccc(-c2ccc(CC3(CN)CC3)cc2)s1 600777023 QYMUBSGHBMLQGP-UHFFFAOYSA-N 268.385 3.568 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H](CC(F)(F)F)C1 602697713 LIVBTHALZGCZCU-NWDGAFQWSA-N 262.319 3.591 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(-c2ccccc2)o1 602517098 BYTDMFXEIVGNQD-AWEZNQCLSA-N 268.360 3.976 30 20 CHED C=CCOc1ccc(CNCCc2ccc(C)cc2)cc1 604768735 MXXXRMNQJKDOKD-UHFFFAOYSA-N 281.399 3.892 30 20 CHED Cc1cc(CNC[C@H]2CCC3(CCCCC3)O2)ccc1C#N 444005341 WLECOGLXJAKFNO-GOSISDBHSA-N 298.430 3.838 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC(C)(C)CC1 354967303 XWDJSMJNJAZCET-UHFFFAOYSA-N 271.364 3.521 30 20 CHED N#Cc1cnc(N[C@H]2CCOC3(CCCC3)C2)c(Cl)c1 268956371 JRUWMAVNMBYISJ-LBPRGKRZSA-N 291.782 3.510 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1cccnc1 447791012 FBMMIVOQPHYOFS-UHFFFAOYSA-N 269.344 3.706 30 20 CHED Cc1ccc(SC[C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 442842458 IFMDYECBEHSZON-KKUMJFAQSA-N 274.433 3.758 30 20 CHED C=CCOCCCC(=O)N(Cc1ccc(F)cc1)C(C)C 266263399 FIRFYFNEOVYLRY-UHFFFAOYSA-N 293.382 3.546 30 20 CHED C[C@H]1CCCCN1CCCCNC1CCC(C)(C#N)CC1 449084830 ZBNQVSHZAIRYBM-AOCRQIFASA-N 291.483 3.703 30 20 CHED CCN(CC)C[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1 530714364 QBSBZRNIABRXTP-RBUKOAKNSA-N 299.462 3.548 30 20 CHED Cc1cc(C#N)ccc1OCc1ncccc1C(F)(F)F 617756074 YWRMEOIBGXZBIP-UHFFFAOYSA-N 292.260 3.860 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1ccc(Cl)cc1)C(C)C 537097300 JMNLYJOTTSHTKN-XJKSGUPXSA-N 281.827 3.811 30 20 CHED C=CCN(C(=O)c1ccc(C(C)(C)C)s1)C1CC1 536822227 PNQORYSDDFOYRG-UHFFFAOYSA-N 263.406 3.836 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 358053049 ZIEIVAKUNLUYQA-RYUDHWBXSA-N 272.392 3.532 30 20 CHED C=CCCC1(C(=O)NCc2cccc(Cl)c2)CC1 353352510 KXGHCTJDSCBTOE-UHFFFAOYSA-N 263.768 3.703 30 20 CHED COC1CCC(C)(CNc2cccc(F)c2C#N)CC1 359833076 QHVWGNCUZHKJCH-UHFFFAOYSA-N 276.355 3.705 30 20 CHED CCCN(CCCN(CC)CC)Cc1ccc(C#N)cc1 351614584 HQQRUOBVJZWMLZ-UHFFFAOYSA-N 287.451 3.502 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(Oc2ccncc2)c1 352973194 LMCIECJLGHFYAC-KRWDZBQOSA-N 295.342 3.752 30 20 CHED N#CCCCCNC(=O)CCc1ccc(Cl)c(Cl)c1 264042063 RZOAFWHCRPDCRC-UHFFFAOYSA-N 299.201 3.736 30 20 CHED N#CCCCC(=O)NC(c1ccccc1)c1ccccc1 359838460 YJBXAKPYPXWBLH-UHFFFAOYSA-N 278.355 3.586 30 20 CHED CC(C)(C)c1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)s1 612243245 QREGIEZFEFQTKS-INIZCTEOSA-N 290.432 3.811 30 20 CHED C=CCC1(NC(=O)CC[C@@H]2CCCCO2)CCCCC1 456367456 OCFQXXJTYLVPOA-HNNXBMFYSA-N 279.424 3.731 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 611417567 FHNGYTISENCDCM-ZIAGYGMSSA-N 285.391 3.663 30 20 CHED N#CC1(CN2CCC[C@@H]2/C=C\c2ccccc2)CCC1 450710139 PMCAAABDNMGCIX-DOOKAGJSSA-N 266.388 3.858 30 20 CHED C=CC(C)(C)CNC(=O)Cc1ccc(C(F)(F)F)cc1 452775086 GVYMPOCRLKVPAU-UHFFFAOYSA-N 285.309 3.576 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CC23CCCCC3)C1 531912190 SRTYJVAZKJSRPV-CPUCHLNUSA-N 274.408 3.545 30 20 CHED C=CC[C@H](CC)NC(=O)NCCC1=CCCCC1 538502210 CZTFETUKKDDORQ-AWEZNQCLSA-N 250.386 3.531 30 20 CHED C[C@@H]1CCN(c2ccc(F)cc2C#N)CC12CCC2 611298578 AOCFCQRBYZGPHG-GFCCVEGCSA-N 258.340 3.714 30 20 CHED C=C(CC)CNC(=O)C1(Cc2ccccc2Cl)CC1 456814439 UFUXIOBXSJMMOH-UHFFFAOYSA-N 277.795 3.745 30 20 CHED Cc1c(C#N)cccc1NCc1nc2c(s1)CCCC2 611530466 ARJPSXJOMBVQST-UHFFFAOYSA-N 283.400 3.814 30 20 CHED CC(C)(C#N)CC(=O)NCC1(c2ccccc2)CCCC1 278562330 PWLDLTRXEPFWPR-UHFFFAOYSA-N 284.403 3.554 30 20 CHED CC(C)(C#N)CNC(=O)C1=C(c2ccccc2)CCCC1 450775837 VKPXOZTZXNCFNA-UHFFFAOYSA-N 282.387 3.680 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1ccc(F)cc1C#N 544841926 YLUSFZPJNXOTLJ-JTQLQIEISA-N 260.234 3.840 30 20 CHED Cc1cc(F)cc2c(N[C@H]3CCCOCC3)c(C#N)cnc12 271920579 UKVBDRMMJQLNFY-AWEZNQCLSA-N 299.349 3.535 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cnc(C#N)c(Cl)c1 455782944 KOHBVZWOHNFRMY-UWVGGRQHSA-N 294.786 3.553 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CC(C)(C)C#N)C1 279292266 POHZERDTOPYINY-DOMZBBRYSA-N 288.366 3.675 30 20 CHED C=CCCC(C)(C)NC(=O)c1cncc2ccccc12 620861170 DZBXVNSGJRTPPV-UHFFFAOYSA-N 268.360 3.709 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@H](C)C(=O)c1ccccc1 620858460 HKQNDAWHXWOYSS-AWEZNQCLSA-N 287.403 3.757 30 20 CHED CCC(C)(C)CC(=O)Nc1ncccc1OCCCC#N 362630950 MNBGDXLEBMLIQF-UHFFFAOYSA-N 289.379 3.529 30 20 CHED C=CCC(C)(C)CNC(=O)N(C1CC1)[C@@H](C)C1CC1 458808752 JEECHIJXMPEDOL-LBPRGKRZSA-N 264.413 3.561 30 20 CHED CN(Cc1csc(Br)c1)[C@H]1CC[C@@H](C#N)C1 278750921 WZVDKRKONDNLEA-KOLCDFICSA-N 299.237 3.635 30 20 CHED C=CC[C@H](C(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1)c1ccccc1 456251425 MGVISYSFAHIVQH-OTWHNJEPSA-N 295.426 3.993 30 20 CHED Cc1c(C#N)c(N2C[C@H]3CCC[C@@H]3C2)nc2ccccc12 450380902 SHVOHTLXUNACQK-ZIAGYGMSSA-N 277.371 3.651 30 20 CHED Cc1nnc(CSCc2ccc(Cl)cc2C#N)s1 274847343 XSOWJNOWIDRSAI-UHFFFAOYSA-N 295.820 3.805 30 20 CHED C=CCCO[C@H](C)c1nc([C@H]2CCCCS2)no1 273844433 BETILTBQEPEBFM-GHMZBOCLSA-N 268.382 3.682 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1OC(C)(C)C 465246722 OVLUPAGBIJTXKO-LLVKDONJSA-N 262.353 3.560 30 20 CHED C=CCCN(C)C(=O)CCSc1ccc(Cl)cc1 466632947 KSFZCQQGCFEASM-UHFFFAOYSA-N 283.824 3.857 30 20 CHED N#CCCCNCc1ccc(-c2nc3ccccc3s2)o1 273035776 HDIXYEVIGCIINI-UHFFFAOYSA-N 297.383 3.950 30 20 CHED C=CCCO[C@@H](C)c1nc([C@@H]2CCCCS2)no1 273844439 BETILTBQEPEBFM-QWRGUYRKSA-N 268.382 3.682 30 20 CHED C=CC1CCN(C(=O)CCc2ccc(Cl)c(F)c2)CC1 625465826 TVSSCTUEWABQTD-UHFFFAOYSA-N 295.785 3.836 30 20 CHED C=C(C)CCNc1cccc(C(=O)N2CCCC2)c1C 288719087 LXTQHOHCUSYKFO-UHFFFAOYSA-N 272.392 3.609 30 20 CHED C[C@@]1(CNc2ccc(C#N)c(Cl)c2)CCO[C@@H]1C1CC1 466630766 KEBFQVGOQFXUSZ-CVEARBPZSA-N 290.794 3.829 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@H](c2ccc(F)cc2)C1 468943405 KAAXUTHRCFBUKR-HNNXBMFYSA-N 298.336 3.826 30 20 CHED N#CCN(C(=O)c1cccc(C2CCC2)c1)C1CCCC1 282447216 CERSAPMEAHWSOX-UHFFFAOYSA-N 282.387 3.862 30 20 CHED CS[C@@H](C)CCC(=O)N(CCC#N)c1ccc(F)cc1 552947680 HUAXTYUZRVPCEE-LBPRGKRZSA-N 294.395 3.604 30 20 CHED C=CCC1(C(=O)N(C)c2ccccn2)CCCCC1 460024599 SKHYSUAXOAIYGE-UHFFFAOYSA-N 258.365 3.571 30 20 CHED C=CCCCCCCNC1CCN(c2nccs2)CC1 286885366 CSQSKNCVMYJKSC-UHFFFAOYSA-N 293.480 3.838 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(OC(F)F)cc2F)C1 283064048 PVVNLVVYXSPFKO-ZJUUUORDSA-N 284.281 3.921 30 20 CHED C=C[C@@H](CC(=O)NCCSC(C)C)c1ccccc1 287172239 SRZGBDRVTPTGAN-AWEZNQCLSA-N 277.433 3.604 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nc(Cl)c(C#N)s1 288211553 DFJWJOANSMNRLU-BBBLOLIVSA-N 281.812 3.826 30 20 CHED C[C@@]12CCN(Cc3cccc(C#N)c3)C[C@@H]1C2(Cl)Cl 283950373 ANJJYUWCRMZXDE-UONOGXRCSA-N 295.213 3.574 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@H](OC)C1(C)C)c1ccco1 552268543 OZDABFYKPUUHCL-CFVMTHIKSA-N 263.381 3.690 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1c(F)cccc1Cl 286249494 UNTPMONAXRWRNF-LKFCYVNXSA-N 282.746 3.596 30 20 CHED C=CCCCC(=O)N(CCC)CCc1cccc(F)c1 479609391 YDUVLMDHJMGNEK-UHFFFAOYSA-N 277.383 3.963 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)cc1 552245369 UZPTZHADJUOVAQ-AEFFLSMTSA-N 287.403 3.550 30 20 CHED C=CCOc1cccc(CNC[C@@H](C)C(F)(F)F)c1 479603890 RTIRKMOQFDSTDO-LLVKDONJSA-N 273.298 3.539 30 20 CHED N#CCCCC(=O)N1CCC(c2cccc(Cl)c2)CC1 291849538 GJGSFMZZLQPRMP-UHFFFAOYSA-N 290.794 3.740 30 20 CHED C=CCC(C)(C)C(=O)NCCc1c[nH]c2c(CC)cccc12 550992202 CEAKQANUBSLRJA-UHFFFAOYSA-N 298.430 3.991 30 20 CHED N#Cc1cccc(COC(=O)[C@@H]2CCCC(F)(F)C2)c1F 800279657 KRANCNXUOMONTC-SNVBAGLBSA-N 297.276 3.566 30 20 CHED C=CCCCC(=O)N1CCC(Cc2ccc(F)cc2)CC1 479568720 KDOSPSSGYRTUBU-UHFFFAOYSA-N 289.394 3.963 30 20 CHED C=CCCCCCCNC(=O)/C=C\c1cnccc1C 805220167 GCHVQFXKOKCAIY-KTKRTIGZSA-N 272.392 3.656 30 20 CHED C[C@@H](/N=C\c1c(O)ccc2ccccc12)C(F)(F)F 806552683 WQZISWZXUUMRIT-YSUMALLGSA-N 267.250 3.915 30 20 CHED CC(C)N(C(=O)CCCC#N)[C@@H](C)c1ccccc1 297747115 HEBJTYOPCQVQBH-AWEZNQCLSA-N 258.365 3.678 30 20 CHED Cc1ccccc1-c1nnc(S)n1N=CCCC1CC1 807955463 XUDWQYNZIOFHLV-UHFFFAOYSA-N 286.404 3.566 30 20 CHED N#CCCCCCC(=O)OCCC(Cl)(Cl)Cl 805695204 MRLLTGUBJSZRJV-UHFFFAOYSA-N 286.586 3.764 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1c1ccnc(C#N)n1 565220225 BRXLRFGXSAEPQN-CVEARBPZSA-N 292.386 3.511 30 20 CHED C=CCCCC(=O)NC[C@H](OC)c1ccc(Cl)cc1 479829212 JKXYHKCDOMPCEE-AWEZNQCLSA-N 281.783 3.500 30 20 CHED C=CCCCCNc1cc(C(=O)NCC)ccc1C 565816449 HZVDAXZUZLNXGF-UHFFFAOYSA-N 260.381 3.513 30 20 CHED CC(=O)c1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1C 295562140 QKBLPUBOZQAAMS-SFHVURJKSA-N 296.370 3.610 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(C2CC2)c1 294457661 WAQOKMXEYYBBPB-OGHNNQOOSA-N 254.377 3.907 30 20 CHED N#Cc1ccc(NC(=O)NC[C@@H]2CCCCC2(F)F)cc1 296426480 WHMMCRDLXJZIRP-LBPRGKRZSA-N 293.317 3.505 30 20 CHED C#CCC(C)(C)c1nc([C@@H](C)c2ccccc2C)no1 809439571 VYCLWCDMJAFRRJ-ZDUSSCGKSA-N 268.360 3.831 30 20 CHED CC(=NN[C@H]1CCSC1)c1ccc(OC(C)(C)C)cc1 808004494 QWDASJCJTKVMQG-AWEZNQCLSA-N 292.448 3.683 30 20 CHED N#Cc1cc(SCc2c(Cl)cccc2Cl)ncn1 568949260 LZMAWCQIJPKXKR-UHFFFAOYSA-N 296.182 3.947 30 20 CHED C=CCN(C(=O)c1cc(-c2ccco2)[nH]n1)c1ccccc1 647741872 NKZOACDMXUXXMZ-UHFFFAOYSA-N 293.326 3.503 30 20 CHED CC(=NOCC(F)(F)F)c1cccc(C2CC2)c1 814880636 JILDLNHGASNAIG-UHFFFAOYSA-N 257.255 3.867 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc4c(c3)CCC4)no2)c1 390137901 IOJAVPDAZLUUCH-UHFFFAOYSA-N 287.322 3.764 30 20 CHED C=CCCC(CCC)=NNc1nc(-c2ccncc2)no1 814827792 WZZRMAJPRIWPQN-UHFFFAOYSA-N 285.351 3.666 30 20 CHED C=CCC(F)(F)c1nc(C2(c3ccncc3)CCC2)no1 656035401 GOQUREYFFQDNLJ-UHFFFAOYSA-N 291.301 3.603 30 20 CHED CC#CCCNC(=O)N[C@H](c1cccs1)C(CC)CC 482894984 SQIUEMNQNHWOMH-HNNXBMFYSA-N 292.448 3.938 30 20 CHED CC(=NNC[C@H]1CCSC1)c1ccc(F)c(Cl)c1 811657928 BGQPAQCIOUEERC-SNVBAGLBSA-N 286.803 3.546 30 20 CHED CC(C)=CCOc1c(C#N)cnc2ccc(C)cc12 488261483 JHYUPIQWIZMUGG-UHFFFAOYSA-N 252.317 3.760 30 20 CHED C=CCC1(NCc2ccc(F)c(Cl)c2)CCOCC1 657633109 HDXYSNPPHQOYBD-UHFFFAOYSA-N 283.774 3.694 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[C@H]2C2CC2)cc1 579919500 YRKKWYPZTUVXPG-BBRMVZONSA-N 297.402 3.655 30 20 CHED Fc1ccc(NN=Cc2ccc3[nH]ccc3c2)cc1 811629826 HSSAWNWOADTTIJ-UHFFFAOYSA-N 253.280 3.753 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(F)c(Cl)cc1F 489735947 GGLPZMMVXNJQGG-UHFFFAOYSA-N 287.737 3.950 30 20 CHED Cc1ccc(NN=C2CCCCc3ccc(N)cc32)nc1 817326210 LPVVKBVWNQFMQY-UHFFFAOYSA-N 280.375 3.515 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1 814683201 ZATOZGDASYBQTR-CYBMUJFWSA-N 286.335 3.713 30 20 CHED CCn1c(C)cc(C=NNc2cccc(C)c2)c1C 728225580 UUVXDSZWTPRJIG-UHFFFAOYSA-N 255.365 3.879 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)CCO1 579891118 CBQRTQJXHSTWKI-JQHSSLGASA-N 298.430 3.729 30 20 CHED COc1cccc2c(N3CCC(CCC#N)CC3)ccnc12 574448739 BELPHCMMKHUVJN-UHFFFAOYSA-N 295.386 3.764 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 726526692 WXXLPFIFJSTRBK-CQSZACIVSA-N 293.794 3.676 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cnn(-c2ccc(C)cc2)c1C 650525428 SKGXPLPLQBMAOY-CYBMUJFWSA-N 298.390 3.575 30 20 CHED N#Cc1ccc(CNCCC2Cc3ccccc3C2)c(F)c1 572784758 NYXOPOCLRANLDX-UHFFFAOYSA-N 294.373 3.592 30 20 CHED C=C(C)CNc1cccc(OCC(F)(F)F)c1C 727827568 HMTXAWZUXYAVDC-UHFFFAOYSA-N 259.271 3.924 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc([C@@H](C)N)cc2)n1 823248884 VWMXPWMFSDRGMB-LLVKDONJSA-N 271.364 3.610 30 20 CHED CN(Cc1ccc(C#N)cn1)[C@@H]1CCC[C@@H]1C(C)(C)C 573576794 QAGFYGBJLIXGAD-JKSUJKDBSA-N 271.408 3.600 30 20 CHED C=CCCC(=O)OCc1nc(-c2ccccc2)oc1C 726652924 XPRNMCUQJKTGHK-UHFFFAOYSA-N 271.316 3.659 30 20 CHED C#Cc1cccc(CNCc2ncc(C(C)(C)C)s2)c1 825226521 IBIIORIDQBEQEO-UHFFFAOYSA-N 284.428 3.712 30 20 CHED C=CCC1(NC(=O)c2ccc3[nH]cc(C=O)c3c2)CCCC1 825437668 OZQGPLRBGIYMOP-UHFFFAOYSA-N 296.370 3.599 30 20 CHED CN=[S@@](C)(=O)c1cccc(NCCCC(C)(C)C#N)c1 902143385 QWFZODQARVNSAP-FQEVSTJZSA-N 293.436 3.515 30 20 CHED CCCSCC(C)=NNc1ncnc2sccc12 901156099 WOYWWWHKXYLETJ-UHFFFAOYSA-N 280.422 3.622 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(OCC)c1 495200786 KOAGRWDLZCWZJN-UHFFFAOYSA-N 285.387 3.909 30 20 CHED CN(C(=O)CCCCCC#N)[C@@H]1CCCc2ccccc21 588746556 MKZXVZMMHVNRDO-QGZVFWFLSA-N 284.403 3.996 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2cccc(Cl)c2C1 822404744 PWJWSASTWIEGDY-LBPRGKRZSA-N 277.795 3.827 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1ccc(C(F)(F)F)cc1C 582351918 UNHGNRCQZBDZKB-AWEZNQCLSA-N 298.308 3.570 30 20 CHED C=CC1CCN(c2ccnc(-c3ccc(OC)cc3)n2)CC1 663586228 INHWIOVPJAADCN-UHFFFAOYSA-N 295.386 3.555 30 20 CHED C=CC1CCN(C(=S)Nc2cccc(CC)c2)CC1 731943387 XHOQWSCRAMJTKW-UHFFFAOYSA-N 274.433 3.844 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C(=O)O)c1ccccc1F 901749596 NNOUKTQSHQHSHL-DOMZBBRYSA-N 279.355 3.676 30 20 CHED CC(C)(C)c1nn(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c(O)c1CCC#N 902286188 JWSIFCPUPHNPEG-MJBXVCDLSA-N 299.418 3.555 30 20 CHED C=CCC(C)(C)c1nc(-c2cnc3ccc(C)cn23)no1 584268114 OKYATSICRMAINQ-UHFFFAOYSA-N 282.347 3.546 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc2c(ccn2CCC)c1 491568140 OZNPPMHNKQLCBL-ZDUSSCGKSA-N 283.375 3.537 30 20 CHED CCc1noc(C)c1CN[C@@H](CC)c1cccc(C#N)c1 903000454 JXNFOTKDOYTVDC-INIZCTEOSA-N 283.375 3.658 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(O)Cc2cccc3ccccc23)O1 901370585 AMFNYRSSVWOFQI-DOTOQJQBSA-N 299.370 3.515 30 20 CHED CC1CC(C#N)(C(=O)Nc2csc(-c3ccccc3)n2)C1 588080426 POVHSLDRIUTJJQ-UHFFFAOYSA-N 297.383 3.688 30 20 CHED Cc1ccc(NN=C2CCCC23CCCCC3)nn1 834955272 KNRAGVYIBGERIN-UHFFFAOYSA-N 258.369 3.687 30 20 CHED CCSCc1ccc(NC(=O)C#CC(C)(C)C)cc1 837690803 PSWUMISKVBHZSM-UHFFFAOYSA-N 275.417 3.928 30 20 CHED C#Cc1cccc(CN[C@H](CC)c2ccc(C)cc2O)c1 834902553 JJDUALBVPFBDMQ-GOSISDBHSA-N 279.383 3.923 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 837100707 GBZLZNVYMOTOCB-MRXNPFEDSA-N 273.351 3.601 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2ccc(OCC#N)cc2)C1 731211450 JXOVJBWYHQQUBD-GDBMZVCRSA-N 272.392 3.599 30 20 CHED N#C[C@H](NC(=O)C=C1CCCCC1)c1ccc(Cl)cc1 733258753 KHXXUWPHYRBQFL-HNNXBMFYSA-N 288.778 3.911 30 20 CHED CC[C@H](C)[C@H](C=NNc1cc(C)ccc1F)OC 834962425 WOVBLXRYJAYNJX-FZMZJTMJSA-N 252.333 3.593 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(C)c([N+](=O)[O-])c2)c1 916346616 LERPROALSBUHPL-UHFFFAOYSA-N 283.331 3.966 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 837379757 MKXLDJGYDLBYOG-UHFFFAOYSA-N 295.386 3.818 30 20 CHED Cc1cc(C#N)ccc1CSCC1(C#N)CCC1 591403621 KICFRVXYAARQCY-UHFFFAOYSA-N 256.374 3.794 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1cnn(C)c1C 835018838 VVNFLDGIMQLXQI-UHFFFAOYSA-N 270.380 3.688 30 20 CHED C[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccc(C#N)cc1 592577907 GHIWLXPHUFWVAA-VBNZEHGJSA-N 284.403 3.808 30 20 CHED CCC(CC)(C/N=C\c1cc([N+](=O)[O-])ccc1O)SC 743044025 CSQQFYGQMOUXOS-DHDCSXOGSA-N 296.392 3.641 30 20 CHED CC(=NN=C1CCC[C@@H]1c1ccc(C)cc1)c1cnccn1 745209076 QASXIGWJYDEDNG-MRXNPFEDSA-N 292.386 3.918 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC=CCC1)c1nc(C2CC2)cs1 842939512 VMPMTZRKPNASCR-VXGBXAGGSA-N 272.373 3.553 30 20 CHED N#CCC1(COC(=O)CCCc2ccc(Cl)cc2)CC1 744275521 MFSBFGZHEXBRHT-UHFFFAOYSA-N 291.778 3.900 30 20 CHED Cc1ccc(CN(C2CC2)[C@@H](C)C#N)cc1Br 595709848 KHOXAOCIRJOBBN-NSHDSACASA-N 293.208 3.634 30 20 CHED CCN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C)C#N 595818156 RXEICGFQZBJZQY-OAHLLOKOSA-N 289.382 3.959 30 20 CHED Cc1cc(NN=Cc2csc3ccccc23)nc(C)n1 915967965 QFKGKGWJNQDKBS-UHFFFAOYSA-N 282.372 3.754 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=S)NC1(C)CCC1 840745811 JUVFTVAVJNQHEQ-UHFFFAOYSA-N 288.460 3.882 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1C)C1CCOCC1 745205299 VJTYKHVICLGDEN-UHFFFAOYSA-N 291.351 3.508 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc2ccccc2n1C1CCCC1 593482612 VIYRXLUJUOEVGH-GFCCVEGCSA-N 296.374 3.640 30 20 CHED Cc1cc(CSc2nc3c(c(C)c2C#N)CCC3)ccn1 598719661 MZMVLDMSGCVCEO-UHFFFAOYSA-N 295.411 3.746 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1cc2n(n1)CCC2 841643095 HTKCEKZOHGVAMJ-UHFFFAOYSA-N 282.391 3.789 30 20 CHED CS[C@H](C(=O)OCc1ccccc1C#N)c1ccccc1 740361937 KRYBFXRLMGQDQG-INIZCTEOSA-N 297.379 3.706 30 20 CHED C#CCCCNC(=O)N(CCC)[C@H]1CCc2ccccc21 743692607 NIWRYHLGHMKLIJ-KRWDZBQOSA-N 284.403 3.509 30 20 CHED C[C@@H](NC(=O)N1CCC2(CCCC2)C1)c1cccc(C#N)c1 743708546 GYLZKAKAPRGHRM-CQSZACIVSA-N 297.402 3.595 30 20 CHED C=CCCSCCNC(=O)CC/C=C/c1ccccc1 597967941 JJOUQVFUZHJBID-YRNVUSSQSA-N 289.444 3.906 30 20 CHED Oc1nc2ccccc2cc1/C=N/[C@@H]1CCC[C@@H]2C[C@@H]21 840711028 OGOZHPWJUAFNGY-ZBQCUBBDSA-N 266.344 3.548 30 20 CHED CC(=NOCC(C)C)c1sccc1Br 749631364 LKVKMSZCJPYAJP-UHFFFAOYSA-N 276.199 3.907 30 20 CHED CCCCCCCC(=O)N1CCS[C@@H](CC)C1 742920308 BIALYFPVJZHPIJ-ZDUSSCGKSA-N 257.443 3.701 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccccc1)C(F)(F)F 682420152 TVDGNOKBWAFEMZ-GFCCVEGCSA-N 286.297 3.508 30 20 CHED CSc1ccc(CN2CCC[C@@H](CC#N)C2)s1 597177997 TUEBKLBPDMTZLP-NSHDSACASA-N 266.435 3.596 30 20 CHED CCCCCCCCCC(=O)N(C)c1cn[nH]c1 748391431 XICISKJLCGFVGI-UHFFFAOYSA-N 251.374 3.513 30 20 CHED C[C@H](/N=C\c1cccc(O)c1O)[C@@H](C)c1ccccc1 746817025 VDVVWNPEKXCMHP-NLKYIXICSA-N 269.344 3.709 30 20 CHED CC(=NOCC(C)C)c1nc2cc(Cl)ccc2n1C 749631077 GSMRWZFOOUYUQG-UHFFFAOYSA-N 279.771 3.623 30 20 CHED CCc1nc([C@@H](C)N[C@H](C#N)c2ccccc2)cs1 595429498 OVUWSAGKAAQBJN-DGCLKSJQSA-N 271.389 3.621 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(F)c(F)c1 916268020 DYHLOWCQYYMIAW-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CC[C@H](C)[C@H](C)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940384 CMTMEQAVCWGBBV-JBLDHEPKSA-N 276.405 3.879 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)[C@H]1C[C@H]2C=C[C@H]1CC2 848414338 MGXFWHMCYATOFL-JLJPHGGASA-N 298.386 3.704 30 20 CHED C=CCCCC(=O)N1CCc2cc(F)ccc2[C@H]1C 748544963 NWFKRSDAZAOYNI-GFCCVEGCSA-N 261.340 3.628 30 20 CHED C=CCCSCCNC(=O)[C@H](C)c1ccc(Cl)cc1 597976224 UHKXDAOLGFYZLA-GFCCVEGCSA-N 297.851 3.869 30 20 CHED C=CCOc1ccc(-c2nc(C3CCC3)no2)cc1 680693271 HHPYYXGEIMGVIC-UHFFFAOYSA-N 256.305 3.569 30 20 CHED CC(=O)O[C@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 849892835 VSQZLQMBTHECIQ-QMMMGPOBSA-N 289.278 3.578 30 20 CHED Cc1cc(C#N)ccc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 846751461 FVNWTXYMPLBKRG-SUMWQHHRSA-N 298.411 3.895 30 20 CHED C=C(CN[C@@H]1CCCc2cccnc21)c1ccccc1 684956291 XCZQGIOUPAZBFL-QGZVFWFLSA-N 264.372 3.762 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1C 929907912 LCCMKMMOYHOBCZ-BBRMVZONSA-N 270.376 3.517 30 20 CHED CCOc1ccc(C=Nc2cc(C)ccc2F)c(O)c1 920942795 DTJNTIAGKXFVGJ-UHFFFAOYSA-N 273.307 3.989 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccccc1[N+](=O)[O-])C2=O 921264115 OXYVKDOJOSNRQM-ZROIWOOFSA-N 279.295 3.726 30 20 CHED C#CC(C)(C)NC(=O)Nc1cccc(SC(F)F)c1 753944480 ZWCSHNMXVVRDKB-UHFFFAOYSA-N 284.331 3.535 30 20 CHED C=C[C@@H](OC(=O)[C@@H](C)OCC(C)C)c1ccccc1 851453478 RHWARSJLDDBRFO-UKRRQHHQSA-N 262.349 3.518 30 20 CHED OC[C@H](NN=C1CCC(=C2CCC2)CC1)c1ccccc1 853339975 HVOUAGLFXPWONA-SFHVURJKSA-N 284.403 3.720 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccc(Cl)c1O 753164160 YFJACBNRCUASIL-UHFFFAOYSA-N 299.761 3.840 30 20 CHED Cn1c(-c2ccccc2)c(C=NNC2CC2)c2ccccc21 758133985 UVROMVFAQXGVNT-UHFFFAOYSA-N 289.382 3.931 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2cccc(OC)c2o1 683788281 LIKDYMPWIBZEBZ-CYBMUJFWSA-N 285.343 3.622 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)COc2c(F)cccc21 921265892 FVMYVLWJUVGWGJ-CLFYSBASSA-N 290.240 3.763 30 20 CHED C=C[C@H](CC(=O)OC/C=C/Cl)c1ccccc1 758914359 MMJBBWVAUUYZFB-UVMWJGKXSA-N 250.725 3.642 30 20 CHED N#CCC1(CSCCC2SCCS2)CC1 853798032 BAGRSXXSVNGSMM-UHFFFAOYSA-N 259.465 3.610 30 20 CHED CCOc1ccc(C=Nc2ccc(N(C)C)cc2)c(O)c1 920943562 OMXXSWNZGTYNKD-UHFFFAOYSA-N 284.359 3.608 30 20 CHED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 751972010 MBEVBVVWXLKDBX-HUUCEWRRSA-N 286.375 3.693 30 20 CHED CCC(Cc1ccccc1)=Nn1cc(Br)cn1 752744556 BTAMLDHPKALKSO-UHFFFAOYSA-N 292.180 3.502 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1coc(CC)n1 851143256 KDJSEVMHZQMDRV-AAEUAGOBSA-N 263.337 3.529 30 20 CHED CCOCCC1(C(=O)O[C@@H](C)CC(C)(C)C#N)CCCC1 851208996 HMXJPMHEDLCJKD-AWEZNQCLSA-N 295.423 3.845 30 20 CHED C=C(C)[C@H](CC(=O)Oc1c(C)cccc1C)OCC 756481273 IRWBVTQTEOUXER-AWEZNQCLSA-N 262.349 3.580 30 20 CHED C#CCOc1ccccc1-c1noc(/C=C\CCC)n1 854029351 BAEJMZYXAATOBB-WDZFZDKYSA-N 268.316 3.562 30 20 CHED CC1(C)CCC/C(=C/c2ccc(-n3cncn3)c(F)c2)C1=O 757533762 JNSYLDKYZJGCDI-JYRVWZFOSA-N 299.349 3.569 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccc(F)c1F 759010820 MGKYCAZOQAMLCD-UHFFFAOYSA-N 266.287 3.776 30 20 CHED Cc1cc(C=NOCC(F)F)cc(C)c1OC(F)F 758904811 XXMFFKKBXODQNZ-UHFFFAOYSA-N 279.233 3.520 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)Oc2c(Cl)cccc21 755595125 XFMVMWUSPRWCPB-NTUHNPAUSA-N 290.677 3.801 30 20 CHED C=C1CN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 930452044 GBJYQMNEUZKPJD-UHFFFAOYSA-N 290.338 3.551 30 20 CHED CC(C)Cc1ccc(C(=O)Nc2cc(CC#N)ccn2)s1 934859630 SOLQDVLDIHNKMO-UHFFFAOYSA-N 299.399 3.660 30 20 CHED O=C1/C(=C/c2csnn2)Cc2cc(Cl)cc(Cl)c21 764434994 ZKORGNFQCWHCTB-XVNBXDOJSA-N 297.166 3.667 30 20 CHED Cc1cc(CNc2ccc3c(c2)OCCCO3)ccc1C#N 767679554 CCSGYXPAMYZXRK-UHFFFAOYSA-N 294.354 3.640 30 20 CHED Cc1oc(-c2ccccc2)nc1C(=O)OCC(C)(C)CC#N 764847806 IJUFTRIRYATYPJ-UHFFFAOYSA-N 298.342 3.747 30 20 CHED C#CCN(C(=O)C[C@@H](CC)c1ccc(C)cc1)C1CC1 763796265 YAHZCLKMSOVHHZ-OAHLLOKOSA-N 269.388 3.503 30 20 CHED N#CC1(CCCCN2C[C@H](O)C[C@H]2c2ccccc2)CCC1 930716569 YUAZAXDKDJHMGM-MSOLQXFVSA-N 298.430 3.658 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)OCC1(C#N)CCC1 768091613 MRGZGMUFOROXCR-GFCCVEGCSA-N 251.370 3.686 30 20 CHED C=C(C)CNC(=S)Nc1cccc(C(F)(F)F)c1C 760275054 WZSTWMRDQVSAIF-UHFFFAOYSA-N 288.338 3.876 30 20 CHED N#CC1(CCCCN2CC[C@@H](C3CCOCC3)C2)CCC1 930098229 VHEHNBJAAUYRGS-QGZVFWFLSA-N 290.451 3.599 30 20 CHED C[C@@H]1CCCC(=NNc2cc(C#N)cc(Cl)n2)C1 768382137 QCFQFFXDRHNXND-SECBINFHSA-N 262.744 3.585 30 20 CHED Cc1ccc(C=NNc2ncncc2Cl)cc1Cl 766478671 SCKLHWCYLRJKRQ-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CON(CCCCC1(C#N)CCC1)CC(C)(C)C 930461131 UULRCWQRANQNEW-UHFFFAOYSA-N 252.402 3.760 30 20 CHED FC(F)(F)C1CCC(C=NNc2ccccn2)CC1 767368733 XVKJJNBEUCYQFJ-UHFFFAOYSA-N 271.286 3.848 30 20 CHED CON=C(CC(F)(F)F)c1ccc(Cl)cc1 763353861 IRRLUYBFAPKIBG-UHFFFAOYSA-N 251.635 3.643 30 20 CHED CC(Cc1ccncc1)=NNc1ccc(Cl)c(F)c1 767789076 UMZZYJDIIDUWAD-UHFFFAOYSA-N 277.730 3.905 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNc1nc(O)c2ccccc2n1 769585313 NKVMJKYLNXPNOB-VXGBXAGGSA-N 298.390 3.950 30 20 CHED C=C(Br)COC(=O)c1ccc(Cl)c(F)c1 766226477 TVBFXNAHQUHQBA-UHFFFAOYSA-N 293.519 3.545 30 20 CHED C#C[C@H](C)N(C)C(=O)Cc1cc2c(ccc3ccccc32)o1 767263333 JSQWZNYSLPBWNI-ZDUSSCGKSA-N 291.350 3.609 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc(C)cc1 769744857 RYPNMPWMCJBIPA-FPLPWBNLSA-N 258.342 3.961 30 20 CHED CC[C@H](C)Oc1ccccc1/C=C\C(=O)OC1(C#N)CCC1 762091625 NPUQHKQVLJEBJK-CMUBDUJZSA-N 299.370 3.867 30 20 CHED COc1ccc(CNN=C(CC(C)C)c2ccccn2)cc1 760254114 RUQBVWUVFJYVHT-UHFFFAOYSA-N 297.402 3.630 30 20 CHED Cc1ncc(C=NOC2CCCCC2)n1-c1ccccc1 777453431 PIKGXCARZFTFEX-UHFFFAOYSA-N 283.375 3.864 30 20 CHED CCC1(CC)[C@H](/N=C/c2ccccc2O)[C@H](C)[C@H]1OC 770569198 RTKUULUYYNTXFS-CYYJLQPPSA-N 275.392 3.651 30 20 CHED C#C[C@H](C)NC(=O)C1(c2c(Cl)cccc2Cl)CCC1 772586873 CIYNINSPAXHVJR-JTQLQIEISA-N 296.197 3.553 30 20 CHED N#Cc1cccc(CNCCc2ccccc2Cl)c1 62424620 YHZTXKGZMXXNAS-UHFFFAOYSA-N 270.763 3.544 30 20 CHED CC(C)(C#N)CCOC(=O)C1(c2ccccc2)CCCC1 776366014 WOGGCOFSGMOFTR-UHFFFAOYSA-N 285.387 3.981 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1COC2(CCCC2)O1 773689309 NUIMHNJQGMJQLR-OAHLLOKOSA-N 297.439 3.539 30 20 CHED CCOCCON=C(C)C12CC3CC(CC(C3)C1)C2 774433707 MFIWHHQRKZULRO-UHFFFAOYSA-N 265.397 3.632 30 20 CHED C=C(C)COc1cccc(NC(=O)C(C)(Cl)Cl)c1 776884162 ARRCETCCCCBQDZ-UHFFFAOYSA-N 288.174 3.774 30 20 CHED C#CCCCCNC(=O)Nc1cc(SC)ccc1C 776030595 WRDTUXIASXCEOW-UHFFFAOYSA-N 276.405 3.642 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(CF)cc1 777540255 IAXWZSMOJBFCFM-UHFFFAOYSA-N 254.308 3.948 30 20 CHED Cc1cc(C#N)ccc1CN1Cc2ccccc2[C@H](C)C1 776789436 IZCBQAPYHKXPEO-OAHLLOKOSA-N 276.383 3.986 30 20 CHED C=CCCCOC(=O)c1ncoc1-c1ccc(F)cc1 770464805 GJUQKQHJHIHXPM-UHFFFAOYSA-N 275.279 3.604 30 20 CHED C#C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)[C@H]1CCCO1 775573332 HEEMTIRIMIYNKT-TUKIKUTGSA-N 297.320 3.537 30 20 CHED C[C@@H]1CC[C@H](CC(=O)OCCCC(C)(C)C#N)C1 784117810 NZWXVSZOQRFBGS-OLZOCXBDSA-N 251.370 3.686 30 20 CHED CC(C)C(C)(C)C(=O)O[C@@H](C)c1cccc(C#N)c1 784506858 RAXJYUNGVHDZDM-LBPRGKRZSA-N 259.349 3.845 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H](F)c1ccccc1 787936552 CKBCPVWDBPBXCN-CQSZACIVSA-N 276.355 3.628 30 20 CHED C=C(Br)CN[C@H]1CC[C@H](Cc2ccccc2)C1 780522698 INVABLUYLXBSCZ-CABCVRRESA-N 294.236 3.896 30 20 CHED C[C@H](CC(=O)OCCCCC#N)c1c[nH]c2ccccc12 786417847 LOWRJVSIUBREHE-CYBMUJFWSA-N 284.359 3.899 30 20 CHED C=C1CCC(C(=O)N(C)c2ccc3ccccc3n2)CC1 888997568 IJLJZYGDNBCSIE-UHFFFAOYSA-N 280.371 3.944 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 780247914 VVSGOJOJWMSZBX-CQSZACIVSA-N 280.799 3.611 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1cc(C)nn1C 789033881 JTLAWTPIPFJNEL-UHFFFAOYSA-N 296.296 3.583 30 20 CHED C#CCC1(C(=O)Nc2cccc(COC)c2)CCCCC1 788155713 OOCUMQHMNJYGDN-UHFFFAOYSA-N 285.387 3.745 30 20 CHED O=C(/C=C\c1cc(Cl)cc2c1OCC2)c1cncs1 787168350 HRQWMVOLKADSFL-UPHRSURJSA-N 291.759 3.628 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccnc1Cl 1123402525 XHKCONACKPNARV-LLVKDONJSA-N 279.771 3.698 30 20 CHED Cc1cc(C)c(COC(=O)C2(C#N)CCCC2)c(F)c1 785916578 FCZHDQQWTRULNV-UHFFFAOYSA-N 275.323 3.570 30 20 CHED CC1(C)C[C@H](NN=C2CCC(C(F)(F)F)CC2)CCO1 780249712 HOPLBXJBLCRTRJ-TVKKRMFBSA-N 292.345 3.642 30 20 CHED CCN(Cc1cnc(F)c(C)c1)[C@H](C)c1ccc(C#N)cc1 891656850 QISZNFUDFPEQDG-CQSZACIVSA-N 297.377 3.984 30 20 CHED C=C[C@](C)(CC)COC(=O)Cc1cc2ccccc2nc1O 786531554 ZOALRCLEJWYWLR-GOSISDBHSA-N 299.370 3.628 30 20 CHED C#CCC1(C(=O)Nc2ccccc2C(C)=O)CCCCC1 788423426 ISAQUWHIUNEUFK-UHFFFAOYSA-N 283.371 3.802 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1ccc(C(C)=O)cc1 782410612 XQWYFLIZEGLBNQ-OAHLLOKOSA-N 288.416 3.627 30 20 CHED CC(=O)c1ccc(N2CCC[C@@H](C#N)C2)cc1C(F)(F)F 895648827 SLJQGWCBNKYMGH-NSHDSACASA-N 296.292 3.648 30 20 CHED CC(C)[C@H](O)C(C)(C)CNc1cc(Cl)ccc1C#N 301833176 UOQZXHFLOMXEKL-AWEZNQCLSA-N 280.799 3.667 30 20 CHED C#Cc1cccc(N(C)CCSc2ccccc2)c1 303661195 DJNVIPDNRRRWMR-UHFFFAOYSA-N 267.397 3.896 30 20 CHED Cn1cc(/C=C2\Cc3ccc(Cl)cc3C2=O)c(C2CC2)n1 899364970 MFWFSEHCFDARLZ-KPKJPENVSA-N 298.773 3.773 30 20 CHED C=CCCCCCN(C)Cc1c(C)nn(CC)c1C 93498005 UURGBWJVZZCPFK-UHFFFAOYSA-N 263.429 3.698 30 20 CHED CC[C@H](C)CON=C1CCN(Cc2ccc(C#N)cc2)CC1 793144145 BYKDGKHLKBZHGY-HNNXBMFYSA-N 299.418 3.573 30 20 CHED CCCCCCCCN(C)C1CCN(CC)CC1 740874637 XMXNSRROQHEJRR-UHFFFAOYSA-N 254.462 3.763 30 20 CHED C=CC[C@@H](CC)NC(=O)C(F)(F)c1ccccc1OCC 798551524 UBNFQUWFIBAALH-GFCCVEGCSA-N 297.345 3.648 30 20 CHED C=C(C)CNC(C)(C)Cc1ccc(Br)cc1 393800540 SDKCDQNZHNQHLD-UHFFFAOYSA-N 282.225 3.936 30 20 CHED CCCCCCCCCNC(C)(C)C(=O)N1CCCC1 796584282 JMSGDPCVPUTMMX-UHFFFAOYSA-N 282.472 3.728 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1cc(C)n(C)n1 799884722 JEYCBTDUGHJSQG-UHFFFAOYSA-N 297.280 3.550 30 20 CHED CN(C)c1ccccc1CNN=Cc1ccsc1Cl 794957215 PLEPYTNGKUYCBF-UHFFFAOYSA-N 293.823 3.591 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)c1n[nH]c(CC)n1 793548755 VERPDHJANIKVDR-STQMWFEESA-N 264.417 3.543 30 20 CHED N#CCN(Cc1cccc(Cl)c1Br)C1CC1 719521919 SYFDMTKYOBYVIO-UHFFFAOYSA-N 299.599 3.590 30 20 CHED COc1ccc([C@@H]2C[C@H]2Nc2ccc(C#N)cc2)cc1 795258089 IOJHMCGIAFDMDM-DLBZAZTESA-N 264.328 3.535 30 20 CHED CCCCC[C@H](NC(=O)NCC1(C#N)CC1)C(C)(C)C 797460502 RSYSQSVWLSTMCZ-ZDUSSCGKSA-N 279.428 3.584 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccccc2C#N)[C@@H]1C 799553036 HEJUQPXASJMJQG-GIOUZSTNSA-N 282.387 3.512 30 20 CHED COC(=O)c1cc(NN=C(C)C2CCCC2)ccc1C 793089778 LXYHWWJBIFEETC-UHFFFAOYSA-N 274.364 3.760 30 20 CHED C=CCNN=Cc1ccc(-c2ccc(Cl)cc2)o1 795003635 ORYLFFHWYDOVHV-UHFFFAOYSA-N 260.724 3.710 30 20 CHED CC[C@@H](C)NN=C(CC(F)(F)F)c1ccccc1 790183392 RLDQVRIVRSQJHH-SNVBAGLBSA-N 258.287 3.731 30 20 CHED Clc1sccc1C=NNc1cnc2ccccc2n1 790162703 VRTFUEDQONQCIX-UHFFFAOYSA-N 288.763 3.791 30 20 CHED COc1ccc(Cl)cc1/C=C/c1ccncc1C#N 794713607 NRXBMTFYIMASKE-NSCUHMNNSA-N 270.719 3.786 30 20 CHED CC(=NNc1ncccc1C)c1cc(C)c(F)c(C)c1 790185607 HRSBJEGYHLWLPC-UHFFFAOYSA-N 271.339 3.982 30 20 CHED N#Cc1cc(NCc2ccc3c(c2)COC3)ccc1Cl 777933042 KVIOPKCOYGPSCQ-UHFFFAOYSA-N 284.746 3.854 30 20 CHED Cc1nc(NCC(C)(C)c2cccc(F)c2)ccc1C#N 1306966368 HFPGAAYGPVCDNR-UHFFFAOYSA-N 283.350 3.791 30 20 CHED N#Cc1cn(Cc2ccc(Cl)cc2)c(=O)c2ccccc12 1166549537 FLFBNRUXCHBUFQ-UHFFFAOYSA-N 294.741 3.575 30 20 CHED COC(=O)c1cccc(/C=C2\CCCC(C)(C)C2=O)c1 1319123993 ZSGKWDDSYWEZCQ-JLHYYAGUSA-N 272.344 3.636 30 20 CHED N#Cc1ccc(-c2nnc(C[C@H]3C=CCCC3)o2)cc1 1325828985 ZDXZZGYISPEWFM-LBPRGKRZSA-N 265.316 3.507 30 20 CHED CC#CCCn1nccc1-c1ccc(F)c(Cl)c1 1320533038 MMMMOWLDGLXWJS-UHFFFAOYSA-N 262.715 3.756 30 20 CHED N#CC1(CCOC(=O)c2ncc(Cl)s2)CCCCC1 1327376331 NKXXJQZGQGACGP-UHFFFAOYSA-N 298.795 3.817 30 20 CHED C[C@@H]1CN(C(=O)CC#Cc2ccccc2)c2ccccc21 1328775884 KIHCBTDUQWAUGK-OAHLLOKOSA-N 275.351 3.579 30 20 CHED FC(F)(F)CCON=Cc1cccc2ccoc12 1326638683 YWJKHGOFFBEYNX-UHFFFAOYSA-N 257.211 3.736 30 20 CHED CC(C)n1ncc2c1[C@@H](/N=C/c1ccccc1O)CCC2 1320242548 SMMNZPZOWCDSGU-ZNBBLSJYSA-N 283.375 3.666 30 20 CHED Cn1nc(-c2ccccc2)c(C=NOC(C)(C)C)c1Cl 1324558910 SPLFQOQYPOCRNX-UHFFFAOYSA-N 291.782 3.890 30 20 CHED CC(C)[C@@H](CNc1ncc(C#N)cc1F)c1ccccc1 1184793178 XIOOOAZGWHQDGE-OAHLLOKOSA-N 283.350 3.944 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1cccs1 1336759058 LMPSBUIOGIXTFU-ZDUSSCGKSA-N 263.406 3.638 30 20 CHED CC(C)CCSCc1nnc(-c2ccc(C#N)cc2)o1 1257872104 CVWCPKPJQZREGK-UHFFFAOYSA-N 287.388 3.888 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C2CCCC2)c(F)c1Cl 1333699315 UERKYPKJUYNXLZ-GFCCVEGCSA-N 294.757 3.600 30 20 CHED CS[C@@H]1CC[C@@H](N(C)c2ncc(Cl)c(C)c2C#N)C1 1337635552 FOYIPNAABZTCOA-GHMZBOCLSA-N 295.839 3.635 30 20 CHED CC(C)(C#N)Cc1nnc(-c2cc3ccccc3o2)o1 1261576644 YAVKOXZLPZFGLR-UHFFFAOYSA-N 267.288 3.575 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)[C@H](CC#N)c1ccccc1 1275116891 OTHXPARUAHVTMP-DZGCQCFKSA-N 272.392 3.625 30 20 CHED N#Cc1ccc(NC(=O)c2cccc3c2CCCC3)cc1F 1436589623 PSFOYDQMDOBFEK-UHFFFAOYSA-N 294.329 3.828 30 20 CHED CCCc1cnc(NC(=O)[C@@H](CC#N)c2ccccc2)s1 1520327686 SOLMAVKDCUOIHS-AWEZNQCLSA-N 299.399 3.732 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(C#N)ccc1F 1529897570 VXMBZKJYECKRIK-CZUORRHYSA-N 288.366 3.786 30 20 CHED N#Cc1cc(F)ccc1N1CCC[C@@H]1C1CCCC1 111036534 WFXAOTWKCRKYQS-OAHLLOKOSA-N 258.340 3.856 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2cc(C(=O)O)cs2)c1 1607789555 UGDDHXKGZXXERX-HYXAFXHYSA-N 290.315 3.790 30 20 CHED C=CC[C@@H](N[C@H](C)c1cc(Cl)ccc1Cl)C(=O)O 1602841878 ILRNYNNQPOQZHT-PRHODGIISA-N 288.174 3.673 30 20 CHED Cc1ccc(S[C@@H](C(=O)O)c2ccsc2)c(C#N)c1 1600496404 VXXPKXSZLZDLRV-CYBMUJFWSA-N 289.381 3.846 30 20 CHED N#Cc1cc(F)cc(NC(=O)CCCc2ccsc2)c1 1462170098 JRRVYZVNHSIULO-UHFFFAOYSA-N 288.347 3.720 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C(=O)O)c(Cl)c1 1602837334 MZSQEUBYBBLUBO-UHFFFAOYSA-N 294.734 3.712 30 20 CHED O=C(O)c1ccc(NN=C2CCC23CCC3)cc1Cl 1608903640 ASLAJRUENFJUKJ-UHFFFAOYSA-N 278.739 3.770 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)C(C)(C)c2ccccc2)n1 1612138839 JDVQNZNBMDNIFL-ZDUSSCGKSA-N 294.402 3.689 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1nc2c(s1)CCCC2 1548662611 AQJMPGLNMUQFLP-UHFFFAOYSA-N 292.448 3.583 30 20 CHED C=CCC1(CNCc2ccc(C(=O)O)c(F)c2)CCCC1 1573353220 SBGAKKMNCNLZGI-UHFFFAOYSA-N 291.366 3.750 30 20 CHED COc1cccc2cc(CNc3cc(C)c(C#N)cn3)oc12 1642209915 HSASPLFXNQLDLL-UHFFFAOYSA-N 293.326 3.629 30 20 CHED C=CCCCCCCNC(=O)[C@H]1Cc2c(C)cccc2N1 1574907265 GRNIPFXPTDVIBB-QGZVFWFLSA-N 286.419 3.584 30 20 CHED C[C@@H]1CCCC[C@H]1CN[C@@H]1CCc2cc(C#N)ccc21 1651028140 HJYJSMNIOFQJDM-RPVQJOFSSA-N 268.404 3.961 30 20 CHED Cc1cc(N[C@H](C)COCC2CCCCC2)ncc1C#N 1655872979 XXRONKVOROVUOY-CQSZACIVSA-N 287.407 3.659 30 20 CHED Cc1cc(NC2CC(C)(c3ccccc3)C2)ncc1C#N 1651019788 HSBMEVYHOYPAKF-UHFFFAOYSA-N 277.371 3.794 30 20 CHED CC(C)Oc1cccc(NC(=O)Cc2cccc(C#N)c2)c1 1587891041 LQAFXHCKNGFQGO-UHFFFAOYSA-N 294.354 3.527 30 20 CHED C=CCCCN(CC)Cc1cc(C(=O)O)c(C(C)C)[nH]1 1588801678 SJZJQNPCQIHENM-UHFFFAOYSA-N 278.396 3.624 30 20 CHED Cc1cc(=N[C@H]2CC[C@H](c3cccc(F)c3)C2)c(C#N)c[nH]1 1651820306 ZMBGROOXDUOAIS-YOEHRIQHSA-N 295.361 3.571 30 20 CHED CC(C)(C)ON=C1CCCCc2cc(C(=O)O)ccc21 1776051988 WMRXGJYJUAZKAL-UHFFFAOYSA-N 275.348 3.630 30 20 CHED CCc1ccc(/C=C/C(=O)c2cccc(C(=O)O)c2)s1 1776968894 HPMUZWNDBVMTFT-CMDGGOBGSA-N 286.352 3.905 30 20 CHED C=CCC(C)(C)CCNc1c(C(=O)O)nnc2ccccc12 1776150766 MDYIPMHEEHLKAY-UHFFFAOYSA-N 299.374 3.732 30 20 CHED CC1(C)CCC(C=NNc2ccccc2C(=O)O)CC1 1776030384 VCLFZJUBFIULNH-UHFFFAOYSA-N 274.364 3.999 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(C(=O)O)s1 1777465323 QAYRVZDSOMLUIS-SOFGYWHQSA-N 272.325 3.651 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@H](C)c2ccc(F)cc2)C1 1776153537 IMHHMJYZPUIOJA-DYVFJYSZSA-N 291.366 3.630 30 20 CHED C=C(Cl)Cn1c(C)nnc1N(C)[C@@H](C)c1cccs1 1690330430 GRMQNCPQMMRHGN-JTQLQIEISA-N 296.827 3.598 30 20 CHED C=CCN(C)C(=O)c1oc2c(Cl)cccc2c1C 161573966 WEGNBFITCQZNHD-UHFFFAOYSA-N 263.724 3.653 30 20 CHED C[C@H](CC#N)N(C)CCCOc1ccc2ccccc2c1 161947762 DPCXAFKYAVFCMO-OAHLLOKOSA-N 282.387 3.843 30 20 CHED C=CCOc1cccc(NC(=O)N(C)CCC2CC2)c1 158411470 VMWVJVNVGSGKLJ-UHFFFAOYSA-N 274.364 3.515 30 20 CHED C=CCN(C)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 152889934 WNTHQPYORFNMME-HNNXBMFYSA-N 296.414 3.972 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1OCC(C)C 152581403 MEIZYGPEPGQKBX-UHFFFAOYSA-N 288.391 3.646 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)CCn1ccc2ccccc21 154615241 WGJPXDPRIQAGLB-HNNXBMFYSA-N 284.359 3.513 30 20 CHED CC(C)(C)OC(=O)N1CCC(CSCCCC#N)CC1 159187151 DJBNJBZPZHBFFK-UHFFFAOYSA-N 298.452 3.670 30 20 CHED CSCc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 7265534 YZQXJIHOASATQO-UHFFFAOYSA-N 282.368 3.674 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc(Cl)c(C)c1 815738190 MSPZJXQHDNFHJI-UHFFFAOYSA-N 252.745 3.584 30 20 CHED Cc1cccc(Nc2ccc([N+](=O)[O-])cc2C#N)c1 8056042 DYAMJFXNDHBYKA-UHFFFAOYSA-N 253.261 3.519 30 20 CHED CCCCCCCCCCC(=O)N[C@H]1CCN[C@H](C)C1 834678618 YVBQIOHIBITIGB-CVEARBPZSA-N 282.472 3.774 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccccc1F 20126481 BBGNFTDMYVFFKW-LBPRGKRZSA-N 270.307 3.901 30 20 CHED C[C@H]1CCC[C@@H](N(C)Cc2cc(C#N)ccc2F)C1 42373857 KXMMZFFPPOFBFM-SWLSCSKDSA-N 260.356 3.708 30 20 CHED N#Cc1ccc(CNc2ccc(-c3nccs3)cc2)o1 156166167 CSDZRLNRPMEWCE-UHFFFAOYSA-N 281.340 3.887 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)cc1 36937547 LNIQHXFVKDXWQL-CYBMUJFWSA-N 284.790 3.932 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc2ccccc2c1 42530493 ZZLHUHZNPZIGTD-UHFFFAOYSA-N 266.344 3.604 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Br)cs1 194898146 VPQVEJCCHMYBEL-UHFFFAOYSA-N 288.210 3.549 30 20 CHED COCc1ccc(CNc2cc(C)cc(C#N)c2)cc1 308127428 CKBSGORWGIFNHE-UHFFFAOYSA-N 266.344 3.625 30 20 CHED CCc1nc(C#N)cc(Oc2cc(C)c(Cl)c(C)c2)n1 308284020 WRZAEUTYDCGXSO-UHFFFAOYSA-N 287.750 3.973 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H]1CCC(C)(C)C1 361470923 PUNVUKXWXYPYSD-HNNXBMFYSA-N 272.392 3.577 30 20 CHED CO[C@H](COc1cc(C#N)ccc1C)c1ccccc1 393516443 NTENALXPXOKOGZ-QGZVFWFLSA-N 267.328 3.633 30 20 CHED C[C@@H]1CC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)O1 397963276 WFVMYQXSWHNGQT-SKDRFNHKSA-N 284.281 3.556 30 20 CHED N#Cc1ccsc1NC(=O)[C@@H]1CC12CCCCC2 532433482 AEMRIZHYFDGVMZ-NSHDSACASA-N 260.362 3.529 30 20 CHED CN(CC#N)CCCCCc1cc(-c2ccccc2)no1 170648620 JKGRRFASSLZNMB-UHFFFAOYSA-N 283.375 3.510 30 20 CHED C=CCSCC(=O)Nc1ccc(C(C)(C)C)cc1 53898896 UCXLFXHLZPPKQX-UHFFFAOYSA-N 263.406 3.842 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC=CCC2)cc1 57682368 DTINYTLQRVNQKN-OAHLLOKOSA-N 268.360 3.598 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(F)cc2)c(Cl)c1 225779848 FHKMHYMRTTYYGA-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)CCOc1cccc(C#N)c1 59371405 RSUSHULNNNLJEG-CQSZACIVSA-N 298.361 3.769 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC(C)C)c1ccccc1 341876553 NFLJQVXUAYXHQS-RDJZCZTQSA-N 261.409 3.548 30 20 CHED C=CCCC(=O)N1[C@@H](C)C[C@@H](c2ccccc2)[C@@H]1C 172746601 FAFJBDJTROUZQC-OFQRWUPVSA-N 257.377 3.746 30 20 CHED Cc1nc(N2CCCC(F)(F)CC2)c(Cl)cc1C#N 599135613 PMUZSALWCMZTLZ-UHFFFAOYSA-N 285.725 3.541 30 20 CHED CC(C)COC[C@@H](NCc1cccc(C#N)c1)c1ccco1 101596975 DCNBYWJKGOBRTM-QGZVFWFLSA-N 298.386 3.655 30 20 CHED C[C@H](CCc1cccc(F)c1)NCc1cccc(C#N)c1 172038518 VDKWUFRFVFHTDI-CQSZACIVSA-N 282.362 3.808 30 20 CHED CCCCCCCCC(=O)N(CCC#N)C(C)C 112204168 XHGDPUSVHUYGHC-UHFFFAOYSA-N 252.402 3.888 30 20 CHED CC(C)CCOc1ccc(/C=C/C(=O)c2cnccn2)cc1 115962293 HRJCRZGYZDRHEE-VMPITWQZSA-N 296.370 3.798 30 20 CHED C=CCCCOC(=O)Cc1csc(-c2ccc(C)o2)n1 117994145 YJLPWPAWSUQBAG-UHFFFAOYSA-N 291.372 3.763 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)cc1)C1CCCCC1 119557329 UQSBVYAGLDXWPZ-UHFFFAOYSA-N 270.376 3.742 30 20 CHED Cc1nnc(S[C@@H](C)c2ccc(C#N)cc2)s1 118172790 CCGLKDOVFSAOBJ-QMMMGPOBSA-N 261.375 3.572 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C#N)cs2)c(OC)c1 176836338 GURGBMRIYGGOJI-GQCTYLIASA-N 299.351 3.533 30 20 CHED CCNC(=NCc1cccc(Oc2ccccc2)c1)NCC 303359583 AZIHYVVXMBBSRA-UHFFFAOYSA-N 297.402 3.554 30 20 CHED CSC1(CNc2cc(C#N)ccc2C(F)(F)F)CC1 302841751 DDWLADFKSBTOQN-UHFFFAOYSA-N 286.322 3.885 30 20 CHED Cc1cc(C)c(CCNC(=O)c2cc(C#N)cs2)c(C)c1 176965642 PHWVSNXZAQXSFZ-UHFFFAOYSA-N 298.411 3.518 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2ccc(C#N)c(F)c2)C1 464637102 HKSRFEPQWWBWNM-LLVKDONJSA-N 274.339 3.852 30 20 CHED C=CCOCCCC(=O)Nc1cccc(OCC(C)C)c1 173626618 WNOGZPBGYKSBPA-UHFFFAOYSA-N 291.391 3.643 30 20 CHED CCCCCC[C@H](C)C(=O)[C@@H](C#N)c1ncc(Cl)n1C 1263616421 WHEOYFZHKOXAOZ-NWDGAFQWSA-N 295.814 3.856 30 20 CHED C=CCCCC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 175425826 LVMNDXJTRGBHHW-SJLPKXTDSA-N 287.403 3.627 30 20 CHED CCOc1cccc(CNc2c(F)cc(C#N)cc2F)c1 111143341 NUDJCMZLZBCCQZ-UHFFFAOYSA-N 288.297 3.847 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccccc1F 171815390 GFUMTVBWSWZDSZ-LBPRGKRZSA-N 282.318 3.748 30 20 CHED N#Cc1ccc(N2CCO[C@H](c3cccc(Cl)c3)C2)cc1 302208459 LHDHHVLHWNDACI-KRWDZBQOSA-N 298.773 3.790 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCCCc2ccccc21 408403657 LYCUUZSFJLZRPO-UHFFFAOYSA-N 294.354 3.833 30 20 CHED CC(C)(CCC#N)COC(=O)C1CCC2(CC1)CC2 1348255846 HYOYTRHEMKSSSR-UHFFFAOYSA-N 263.381 3.830 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(-c2ccccc2)c1C 129449722 ADHJVYVPCMCAKN-UHFFFAOYSA-N 295.386 3.888 30 20 CHED C[C@H](CC(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1 32614321 QCQCRUBMFZLVIL-OAHLLOKOSA-N 292.382 3.710 30 20 CHED CCCCCS[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 180728613 DTUYKBZWXCHGQC-OAHLLOKOSA-N 288.416 3.587 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 121010888 VYGQESRCHYPRMW-RYUDHWBXSA-N 295.308 3.800 30 20 CHED C[C@H]1C/C(=C/c2c(Cl)cnn2C)C(=O)c2ccccc21 122705842 FTHZLESOPUMWQJ-DFYQSJSGSA-N 286.762 3.847 30 20 CHED C[C@H](C#N)CN[C@@H](C)CCc1cccc(C(F)(F)F)c1 185573817 STGCXALGOUCPQZ-NEPJUHHUSA-N 284.325 3.776 30 20 CHED CCC(CC)[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccccc1 181224210 DIXPCWCYWJSNEE-QGZVFWFLSA-N 295.386 3.794 30 20 CHED CCC[C@H]1C[C@@H](C(=O)NC(C#N)(CCC)CCC)CCO1 181006158 RYZXTZCIKGPLLT-GJZGRUSLSA-N 294.439 3.560 30 20 CHED Cc1cccc(N(C)C(=O)c2cccc(CC#N)c2)c1C 79184258 OKCSQKNDNVLWNW-UHFFFAOYSA-N 278.355 3.646 30 20 CHED C[C@@H](NC[C@@H]1Cc2ccccc21)c1ccc(OCC#N)cc1 315669291 ZUENXRHSDFTOEM-PBHICJAKSA-N 292.382 3.579 30 20 CHED C[C@H](NC(=O)c1cccc(C#N)c1)C(C)(C)c1ccccc1 76173350 BWPPGIQOWDRXQO-AWEZNQCLSA-N 292.382 3.654 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cnn(CC)c1 414304310 OODIRXIMOBSZJY-CRAIPNDOSA-N 283.419 3.741 30 20 CHED N#Cc1ccc(CN[C@H](Cc2ccccc2)C2CC2)cc1 76903667 VZXKTHPFGYFGER-LJQANCHMSA-N 276.383 3.669 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC1CCCC1 75299359 IBVLWHLAQKOINM-ROUUACIJSA-N 296.414 3.865 30 20 CHED C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccc(C#N)cc1 72560870 OCJJQTDLWYMKKH-CYBMUJFWSA-N 295.342 3.659 30 20 CHED C=CCC[C@@H](CCC)Nc1cccc2c1CCNC2=O 414314629 DLPUVTNJSOYZOQ-CYBMUJFWSA-N 272.392 3.519 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(Cl)c1F 488822051 VEEXKMSMOVPYDA-JTQLQIEISA-N 267.731 3.660 30 20 CHED Cc1cc([C@H](C)Nc2cc(C#N)cc(Cl)n2)c(C)o1 122740512 MJZQMITYRMZINR-VIFPVBQESA-N 275.739 3.990 30 20 CHED Cc1ccc2c(c1)[C@@H](NCC1(C#N)CCC1)[C@@H](C)C2 418141088 KNPZZBJIUCNIIV-BBRMVZONSA-N 254.377 3.512 30 20 CHED CC(C)[C@H](CNCc1cccc(C#N)c1)Nc1ccccc1 76161300 FUHWHSMUAMJRST-IBGZPJMESA-N 293.414 3.785 30 20 CHED COc1ccc(C#N)cc1CSCc1ccco1 129263238 UUORXPJACBBQJK-UHFFFAOYSA-N 259.330 3.593 30 20 CHED COc1cc(N/C(O)=N/[C@H]2CC[C@H](C)CC2)ccc1F 331280871 BWOPUSAHDNQWAP-XYPYZODXSA-N 280.343 3.739 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc2c(cc1Cl)OCCO2 189974492 YXFACUDUTPHDBV-OAHLLOKOSA-N 295.766 3.652 30 20 CHED N#CCCSCc1ccc(CSCCC#N)cc1 413009511 CVVSDAZRHIZPNY-UHFFFAOYSA-N 276.430 3.980 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CC)c1ccc(Cl)cc1 128422366 NODFSCMLZVURLD-GWCFXTLKSA-N 266.772 3.665 30 20 CHED C[C@@H](Nc1cccc(CC#N)c1)C1CCSCC1 449706009 ZVPWEPMXIKZFDF-GFCCVEGCSA-N 260.406 3.696 30 20 CHED CC(C)CC(=O)Nc1sc(C(C)(C)C)cc1C#N 411007959 QRZWGLBZPJEXID-UHFFFAOYSA-N 264.394 3.902 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 504571138 RJPAWHGUUUUDGF-BARDWOONSA-N 251.414 3.920 30 20 CHED CC(C)CCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 75299302 CTIOOOXJXQLDEA-DLBZAZTESA-N 284.403 3.721 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 182802742 CTFQPRIEAQOOFZ-SOLBZPMBSA-N 283.415 3.973 30 20 CHED C=CCCc1nc(-c2cc(Br)ccc2C)no1 508613057 CTDAIFHPJZXDJX-UHFFFAOYSA-N 293.164 3.926 30 20 CHED CCc1cc(NCc2ccc(OC)c(C#N)c2)ccc1F 506293439 FVJFZOJGFVPDQQ-UHFFFAOYSA-N 284.334 3.880 30 20 CHED CCCCCCCCCNC(=O)N1CCC(C)(CO)CC1 184489396 KPIYZWHQUQSBPE-UHFFFAOYSA-N 298.471 3.541 30 20 CHED C=C(C)CCc1noc(-c2ccc(OC(F)F)cc2)n1 508666713 PXGPHGQXAXUPKJ-UHFFFAOYSA-N 280.274 3.847 30 20 CHED CCOc1cc(Cl)ccc1CN[C@H]1CCC[C@@H](C#N)C1 185866066 JOVRUYQFTANSRT-DOMZBBRYSA-N 292.810 3.911 30 20 CHED C#Cc1cccc(NC(=O)c2cnn(C3CCCC3)c2C)c1 131937180 GDWYBKVPRXKHLU-UHFFFAOYSA-N 293.370 3.540 30 20 CHED CC(C)(C#N)CCCCN1CCCC(C)(C)[C@H]1C#N 444717794 NJQQSDWAFIQANB-CQSZACIVSA-N 261.413 3.721 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(C#N)cc1 45027220 VJTYJZUDUXCYPS-CYBMUJFWSA-N 279.343 3.783 30 20 CHED C#C[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 185298087 VLRGMXJTFBCXFO-JTQLQIEISA-N 287.359 3.614 30 20 CHED CCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 48811192 BHVDBHVOSZKLTC-UHFFFAOYSA-N 280.371 3.589 30 20 CHED C[C@H](CCC#N)N1CCC(c2c(F)cccc2F)CC1 411558082 DWINWHNDTASCKY-GFCCVEGCSA-N 278.346 3.836 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1cc2ccccc2o1 48399104 NZVUFQHDCMNKOG-LLVKDONJSA-N 263.300 3.873 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193058562 LEIDUOYLDZYRMW-UHFFFAOYSA-N 283.375 3.694 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cccc(-c3cnco3)c2)CC(O)=N1 329433053 KZYIRWJMTPQSHP-ZYHUDNBSSA-N 299.330 3.685 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1ccccc1Cl 42228792 REZCYVHKDCTCSG-JTQLQIEISA-N 257.724 3.780 30 20 CHED O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccsc1 194615079 HQSWRGQIJSSFRY-VOTSOKGWSA-N 280.352 3.830 30 20 CHED C=CCN(CC=C)C(=O)c1c[nH]cc1-c1ccc(C)s1 193122081 CDBGQEFDVBWNFX-UHFFFAOYSA-N 286.400 3.866 30 20 CHED Cc1cscc1NC(=O)Nc1ccc(CC#N)cc1 159978311 KRTFMYPFNOVPKI-UHFFFAOYSA-N 271.345 3.767 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(CC(F)(F)F)CC1 513461893 AHPYMPADJOXGKY-CYBMUJFWSA-N 292.389 3.738 30 20 CHED Cc1nc(CC/N=C(/O)c2csc(C)c2C)c(C)o1 329138157 DPOHLOUKFYMFOT-UHFFFAOYSA-N 278.377 3.517 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 428046763 BXONDQQEBVEBGP-OAHLLOKOSA-N 295.386 3.566 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]1c1ccsc1 425209086 QJNVCKAVWNCAAN-ZDUSSCGKSA-N 299.355 3.869 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2ccc(CC#N)cc2)c1 136859820 XKDIQJCWNRIHSO-UHFFFAOYSA-N 292.382 3.941 30 20 CHED CC(C)(C#N)CCCN1CCCc2sccc2C1 610447977 WBWZDTSONMQESQ-UHFFFAOYSA-N 262.422 3.826 30 20 CHED O=C(/C=C/c1ccc(Cl)c(F)c1)c1cccnc1 49371798 GTHPPQWPLZKGJS-GQCTYLIASA-N 261.683 3.770 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)CCC 194222165 BIMOQXMUZXPCGI-ZDUSSCGKSA-N 263.356 3.777 30 20 CHED C=CCC(C)(C)c1nc(-c2cc(CC)ccn2)no1 426623542 OTVFBYMEWRPFKB-UHFFFAOYSA-N 257.337 3.548 30 20 CHED CCCCCCC(=O)[C@@H](C#N)c1nc2ccccc2o1 193623190 ZQPGQCMRJDHOBM-GFCCVEGCSA-N 270.332 3.974 30 20 CHED N#Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)c(Cl)c1 335986406 BFRJZHAXKDYXEH-UHFFFAOYSA-N 297.745 3.736 30 20 CHED C[C@@]1(CNc2cnccc2C#N)C[C@H]1c1ccccc1 338739812 LKEOWDKMJBMVAP-RDJZCZTQSA-N 263.344 3.559 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C(C)(C)C#N 193776127 MZTQEMXUZZJUEB-ZDUSSCGKSA-N 252.402 3.649 30 20 CHED CN(Cc1cccc(N(C)C)c1)CC(C)(C)CCC#N 93863639 CFZHGKDBHAKKET-UHFFFAOYSA-N 273.424 3.514 30 20 CHED C#CCCCC(=O)Nc1ccc(CC(F)(F)F)cc1 192136213 LUWBEIYLBSTQMI-UHFFFAOYSA-N 269.266 3.533 30 20 CHED Cc1cc(F)ccc1CCN[C@H](C)c1cccc(C#N)c1 94950059 GTOUTUPUOXZVLH-CQSZACIVSA-N 282.362 3.899 30 20 CHED N#Cc1csc(CN2CCOC3(CCCCCC3)C2)c1 93769252 GPRPYOUJRQIKHO-UHFFFAOYSA-N 290.432 3.545 30 20 CHED C=CCC1(c2nc([C@@H](C)c3nccs3)no2)CCC1 424356573 UOENUSZIGBCNNZ-SNVBAGLBSA-N 275.377 3.676 30 20 CHED C=CCCCC[C@H](C)NC[C@]1(C)C[C@H]2CC[C@H]1O2 424297643 RHOATJQGNOAWQV-JJXSEGSLSA-N 251.414 3.669 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(F)c(F)c2C)CC1 334906987 QVSAOFMRFQTBOC-UHFFFAOYSA-N 280.318 3.703 30 20 CHED COc1ccc([C@@H]2CCN(Cc3cc(C#N)cs3)C2)cc1 92783609 YDHSAMSEAXDTFP-OAHLLOKOSA-N 298.411 3.618 30 20 CHED Cc1ccc(O)c(/C(O)=N/[C@@H]2CCO[C@@H](CC(C)C)C2)c1 331248085 WRKKVEQKKQCCBE-KGLIPLIRSA-N 291.391 3.599 30 20 CHED N#Cc1ccc(NC(=O)N2[C@H]3CCC[C@H]2CC3)cc1Cl 336496635 WPAUONOAWVZSEM-STQMWFEESA-N 289.766 3.760 30 20 CHED C[C@@H](Nc1cnccc1C#N)c1cccc(OC(F)F)c1 94136589 YNAADWYUDGRMBT-SNVBAGLBSA-N 289.285 3.728 30 20 CHED CSCc1ccc(N/C(O)=N/[C@@H]2CCC[C@H]2C#N)cc1 330898088 OTCQNQMKAPDYLX-GXTWGEPZSA-N 289.404 3.568 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC(F)(F)C1 335074873 GWJZQKGEMOFAPY-BXUZGUMPSA-N 292.329 3.513 30 20 CHED C#CCCCOC(=O)c1csc(Cc2ccc(C)cc2)n1 92851123 BROAYNSPLCEXOI-UHFFFAOYSA-N 299.395 3.613 30 20 CHED CC1(C#N)CCC(NCc2c(F)cc(F)cc2F)CC1 336217764 OBGLRZLNIPGLGV-UHFFFAOYSA-N 282.309 3.666 30 20 CHED CS[C@H](C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N 91209091 QWSSKDUAYTXNAP-SECBINFHSA-N 296.461 3.997 30 20 CHED CN(CC1CCCC1)C(O)=Nc1nccn1-c1ccccc1 330230857 DRZDFDXQAJUQCM-UHFFFAOYSA-N 298.390 3.540 30 20 CHED N#CCN(CCCSc1ccccc1Cl)C1CC1 343724983 BRQAPRCSILUWRE-UHFFFAOYSA-N 280.824 3.810 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2cncc(F)c2)n1 340830387 RZILCKAWPNCAFU-WAYWQWQTSA-N 273.311 3.628 30 20 CHED Cc1ccnc(N[C@H]2C[C@@H]2c2c(F)cccc2F)c1C#N 343448508 ZVAJCXDXFUVIQJ-HZMBPMFUSA-N 285.297 3.508 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 436094281 RVTLCOKKCWGWOX-KBPBESRZSA-N 288.391 3.794 30 20 CHED Cc1nc2ccc(C(=O)Nc3ccccc3C#N)cc2s1 432719317 SOHRXBKYXIDLBL-UHFFFAOYSA-N 293.351 3.729 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1Br 349856265 ZXRPLGLVBPIXIE-WCQYABFASA-N 293.208 3.539 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H](C)C(C)(C)C#N 245526817 FLPJIZLAKYZPHE-VHDGCEQUSA-N 271.360 3.580 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 248398067 MNGPUZLLRMLFIZ-JLSDUUJJSA-N 292.382 3.752 30 20 CHED CC(C)c1cccc(C(=O)N(CCC#N)CC(C)(C)C)n1 344491305 DMPDNTJQVFHQRP-UHFFFAOYSA-N 287.407 3.607 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCCC[C@H]1C 606917502 XFOWTWNVYUZMDB-HUUCEWRRSA-N 266.429 3.953 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2ccccc2CC#N)C1 601312382 HFYBKVBKQUHNNH-HNNXBMFYSA-N 284.403 3.651 30 20 CHED C[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccc(Cl)s1 345889771 QIMAYWLSPSNQNQ-SNVBAGLBSA-N 298.839 3.951 30 20 CHED Cc1csc(NC(=O)Cc2ccccc2Cl)c1C#N 344916182 BPBDJTKITOCBOG-UHFFFAOYSA-N 290.775 3.763 30 20 CHED C=CCOc1ccc(CN(C)[C@@H]2CCCOC2)cc1Cl 348675069 QANQZWKJYHZFBH-CQSZACIVSA-N 295.810 3.516 30 20 CHED CC[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 603530603 JPZLDOBTUXABGU-AWEZNQCLSA-N 272.392 3.589 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2ncc(C#N)cc2Cl)o1 524165937 GUMKLPBRNKHXRL-CABZTGNLSA-N 287.750 3.935 30 20 CHED C=CCCCCN[C@@H]1CCCOc2ccc(OC)cc21 349309665 DWVKQNYWPOOANW-MRXNPFEDSA-N 275.392 3.855 30 20 CHED CCC(CC)c1cc(CNc2cc(C)nc(C#N)c2)on1 342365178 GXIGSUHWUYGXDK-UHFFFAOYSA-N 284.363 3.765 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc3c(c2)CCO3)c1 255366635 UCUFMRRPWSTFTD-ALCCZGGFSA-N 294.350 3.664 30 20 CHED C/C(=C/C(=O)N[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1 254985970 BWCQDFDKCUVGLR-DWOQACPDSA-N 296.292 3.527 30 20 CHED N#CC1(CC(=O)NCc2cccc3[nH]ccc23)CCCCC1 602214020 ORHLJJCIXPLVJY-UHFFFAOYSA-N 295.386 3.648 30 20 CHED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccsc1 254926282 DGBQCZBGDYBFSL-IHWYPQMZSA-N 288.759 3.945 30 20 CHED COc1cc(-c2nc3cc(Cl)ccc3n2C)ccc1C#N 443032548 BLFFJGBJAWTFJT-UHFFFAOYSA-N 297.745 3.774 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)c1cccnc1C#N 357186309 HVROPDJXBPXDMA-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccnc1N1CCCCC1 357296470 DGEDVZGBVPSJBO-UHFFFAOYSA-N 299.418 3.779 30 20 CHED Cc1cc(CNc2cnn(-c3ccccc3)c2)ccc1C#N 443999326 APBOHOVJOOTWTL-UHFFFAOYSA-N 288.354 3.665 30 20 CHED CC(C)N(CCC#N)C(=O)CC1CCC(C)(C)CC1 532778683 UPJBVPMRCXRGRC-UHFFFAOYSA-N 264.413 3.744 30 20 CHED C[C@H](CCC(=O)Nc1cc(CC#N)ccn1)c1ccccc1 533077414 TZMUKFPPWIYJIC-CQSZACIVSA-N 293.370 3.670 30 20 CHED C=CCC1(C(=O)Nc2cccc(-c3nnco3)c2)CCCC1 449489519 AGMTXYYCOWTTQM-UHFFFAOYSA-N 297.358 3.812 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2cc3ccccc3o2)no1 351059912 WJLJYEQQKUQKQV-NEPJUHHUSA-N 282.299 3.541 30 20 CHED Cc1ccc(CCCCC(=O)N[C@@H](C#N)CC(C)C)cc1 608824796 SNOUZXHMLOSHRI-QGZVFWFLSA-N 286.419 3.762 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccn(C)c1 357490630 HOOZAZILSLDDAE-UHFFFAOYSA-N 294.807 3.568 30 20 CHED N#Cc1ccc(N2CCC[C@@H](F)C2)c(C(F)(F)F)c1 357682057 BORGLLLTJMXVJR-SNVBAGLBSA-N 272.245 3.515 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 619212440 SEZFPPMFMMJKRG-HUUCEWRRSA-N 257.377 3.651 30 20 CHED C=C[C@H](CC(=O)N1CCC(CC)CC1)c1ccccc1 533948604 SCICYQFGKYQLQN-MRXNPFEDSA-N 271.404 3.995 30 20 CHED Cc1ccc(Br)cc1CN[C@H]1CC[C@H](C#N)C1 442871115 VZVKBBDYXBXCAM-FZMZJTMJSA-N 293.208 3.539 30 20 CHED C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1cccc(C#N)c1 610360268 UMTUDMWTHKZBNI-LBPRGKRZSA-N 289.338 3.531 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)[C@H](C)c1cccs1 350730181 QGCWLDMYKRJZPP-LLVKDONJSA-N 288.420 3.600 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CCCCCC1 618795360 QJQWPMRGPMUBFO-KRWDZBQOSA-N 297.402 3.568 30 20 CHED C=C1CCN(C(=O)Cc2ccc(SCC)cc2)CC1 269763128 ZGHRHUQXEAUCSR-UHFFFAOYSA-N 275.417 3.520 30 20 CHED COc1ccc(OCc2ccc(C#N)c(C)c2)cc1F 447326068 SBNFOBPTTCDIEJ-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C[C@H](C#N)N(C)C(=O)c1ccc(C2CCCCC2)cc1 354181148 RHVMQRACGUYZHO-CYBMUJFWSA-N 270.376 3.718 30 20 CHED Cc1ccc(N/C(N)=N\[C@@H]2c3ccccc3O[C@H]2C)cc1C 262334273 YXPLOISTKMIWNR-GUYCJALGSA-N 295.386 3.552 30 20 CHED C[C@@H](CC#N)N(C)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 264079558 PWTGJTSBBIKILF-FSIBCCDJSA-N 297.185 3.767 30 20 CHED N#CC1(CN2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 459576877 LIKMLVKMWLZQIA-INIZCTEOSA-N 266.388 3.907 30 20 CHED C=CC(C)(C)C(=O)N1CCCc2cc(Cl)ccc21 459970473 JPFOTBPBXSPUEP-UHFFFAOYSA-N 263.768 3.831 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2cccnc21 619611418 MHUWONTVAGBNQT-ZWKOTPCHSA-N 289.382 3.608 30 20 CHED CC(C)Oc1cccc(NC(=O)NCC(C)(C)CC#N)c1 459623974 SHEAGEPSLBQVFI-UHFFFAOYSA-N 289.379 3.535 30 20 CHED C[C@H](NC(=O)c1cc2c(s1)CCC2)c1cccc(C#N)c1 610362411 RHXLNGFAASDWAE-NSHDSACASA-N 296.395 3.599 30 20 CHED CN1CCCN(CCCC(C)(C)C#N)c2ccc(F)cc21 533531272 HGYQYUULXQELFK-UHFFFAOYSA-N 289.398 3.802 30 20 CHED Cc1ncsc1CN(C)c1c(Cl)cccc1C#N 361022488 MPZLMELLJCBFAR-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C=CCC1(NC(=O)NCC(C)(C)CCC#N)CCCCC1 458754215 BEHIBNFKTLWWDF-UHFFFAOYSA-N 291.439 3.895 30 20 CHED C=CCN(CC=C)C(=O)c1ccncc1Oc1ccccc1 361449007 ILNHLJPDKSCLDX-UHFFFAOYSA-N 294.354 3.688 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CSc2ccccc21 452213177 GBGLGMGEUBJPFY-GFCCVEGCSA-N 275.417 3.594 30 20 CHED C[C@@H](NC1(c2ccccc2)CC1)c1cccc(C#N)c1 271934981 ABCYVSKDSJLNMV-CQSZACIVSA-N 262.356 3.898 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1CC 459010664 XCZNSSBVMDPZFQ-UONOGXRCSA-N 252.402 3.563 30 20 CHED C=CC[C@H](C(=O)N1C[C@H](C)S[C@@H](C)C1)c1ccccc1 547654017 FZFWPSLPEFFGED-DZKIICNBSA-N 289.444 3.699 30 20 CHED CCN(Cc1ccoc1)C(=O)C[C@H](CC#N)c1ccccc1 619433820 LVSQFCGDWCZELG-KRWDZBQOSA-N 296.370 3.716 30 20 CHED C[C@H]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)CC1 543482185 XDKSGPJIGXKHFM-MJHDQNEOSA-N 276.767 3.520 30 20 CHED C=C[C@@](C)(O)CC(=O)N(CC(C)C)c1cccc(Cl)c1 456788439 SMRRMWNXJSSYJK-MRXNPFEDSA-N 295.810 3.656 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(-c2ncco2)cc1 455038026 JXWLXFFETFISPS-UHFFFAOYSA-N 285.347 3.675 30 20 CHED C=CCC1(CNC(=O)c2oc(C(C)C)nc2C)CCCC1 456510077 RFFURXOEEMNUFE-UHFFFAOYSA-N 290.407 3.973 30 20 CHED CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(C#N)c(F)c1 453331741 AFCVZSOQUBRHJP-CQDKDKBSSA-N 260.356 3.640 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 277001743 ZHLZKZGHVAPHFF-SJCJKPOMSA-N 291.366 3.506 30 20 CHED C=CCCCCCN(C)C(=O)/C=C/c1cnccc1C 272978675 SZKMFELFGHLCNL-MDZDMXLPSA-N 272.392 3.608 30 20 CHED COc1cccc(CN(C)Cc2ccc(C#N)c(C)c2)c1 362959442 ZEJVDGCDKRYKCQ-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C=CCCCNC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C 544630551 MHILUYLAAACKKW-NVXWUHKLSA-N 286.419 3.930 30 20 CHED C=CCCOCC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 628907737 QHLBACVDFKYNTO-IRXDYDNUSA-N 287.403 3.580 30 20 CHED N#Cc1cccc(SCc2nnc(C3CC3)s2)c1 450858622 LHWFBCOHUPNHSL-UHFFFAOYSA-N 273.386 3.579 30 20 CHED C=CC(C)(C)CNC(=O)c1scc(C)c1Cl 452777367 UKZMCQVMVVNZAJ-UHFFFAOYSA-N 257.786 3.652 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(CN(C)C)c(C)c1 458260807 IJIJOKQTYNETOP-KRWDZBQOSA-N 274.408 3.597 30 20 CHED C=CCC(C)(C)CNCc1ccc(OC(F)F)c(OC)c1 549829999 DRKGXCMZRZXFPH-UHFFFAOYSA-N 299.361 3.989 30 20 CHED C#CCCN(C)[C@@H](C)c1sc(C(C)C)nc1C 270462762 AMDZSXPAJUAFRN-LBPRGKRZSA-N 250.411 3.591 30 20 CHED C=CCC[C@@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 547654632 NVVBUSNJHUEEFQ-GOSISDBHSA-N 296.414 3.889 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](CC)CC(F)(F)F 544834824 PBPNAXFNEPOMQN-NSHDSACASA-N 263.303 3.602 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccccc1F)C(C)(C)C 622944613 ZDMLGUGKVSMZSM-ZDUSSCGKSA-N 277.383 3.817 30 20 CHED CCC(C)(C)c1ccc(NC(=O)c2ccc(C#N)cn2)cc1 548403142 SLLCHCJOCNCYHJ-UHFFFAOYSA-N 293.370 3.893 30 20 CHED C=CCC[C@H](Nc1cc(CCOC)ccn1)c1ccco1 286947281 BKBYQUPVZIOKLH-HNNXBMFYSA-N 286.375 3.983 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(SC)c1C 285739111 GXLYYCKMCJEMTG-CQSZACIVSA-N 262.378 3.595 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccc2sccc2c1 462164497 MWAJYRCFRPVCIH-UHFFFAOYSA-N 286.400 3.785 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](c2ccccc2)C1 281362288 NKBLYJCKHOSFAR-CVEARBPZSA-N 272.392 3.540 30 20 CHED CSCC[C@](C)(C#N)NC(=O)C[C@H]1CCCCC1(C)C 558212059 BYOHDSVAWFQXHA-CZUORRHYSA-N 296.480 3.744 30 20 CHED CC#CCCN1CCC[C@H]1c1ccc(OCC)cc1 462314579 NZEWDKIJMWYYIY-KRWDZBQOSA-N 257.377 3.636 30 20 CHED C=CCCCCSc1nnc(C2CC2)n1C1CC1 556235106 BKADNCWCKIPICF-UHFFFAOYSA-N 263.410 3.939 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]2C2CC2)cc1 556542953 XPQREVWDJWHYLH-HNNXBMFYSA-N 283.375 3.504 30 20 CHED C=C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)OC 385125031 WZEBOULVGRLVQP-INIZCTEOSA-N 283.327 3.618 30 20 CHED C#CCC(C)(C)c1nc([C@H](C)c2cccs2)no1 289201396 XMPVXOKFMHHNMF-SNVBAGLBSA-N 260.362 3.584 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 282352819 PKQMAUXZQOSQBI-SUNKGSAMSA-N 293.208 3.792 30 20 CHED COc1ccc(CN(C)C2CCC(F)(F)CC2)cc1C#N 286717156 GCLWLKILNJOSNM-UHFFFAOYSA-N 294.345 3.577 30 20 CHED N#CCC[C@H](N[C@H]1CCC12CCC2)c1ccccc1 282406348 YBICAUVZMJPIJY-HOTGVXAUSA-N 254.377 3.954 30 20 CHED C=C(CC)CN[C@@H](c1ccc(F)cc1)c1ccccn1 552971948 YISMGHPRAYAWSQ-KRWDZBQOSA-N 270.351 3.866 30 20 CHED C=CC1CCN(C(=O)c2cccc3cc(O)ccc23)CC1 631221620 GVWFDHXVMAHULM-UHFFFAOYSA-N 281.355 3.584 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 552136562 CGBTWJOZGQSEGV-KBXCAEBGSA-N 286.419 3.797 30 20 CHED C=C(C)CN(CC)C(=O)CCc1cnc2ccccc2c1 470763733 COPDDMYJBRCTQP-UHFFFAOYSA-N 282.387 3.592 30 20 CHED N#CCCCC(=O)N[C@@H](CC1CCC1)c1ccccc1 291919037 NDYVBSMEENXNTR-INIZCTEOSA-N 270.376 3.728 30 20 CHED C#CCN(CC)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 807623792 PIKWEKXTQWDYGX-ZDUSSCGKSA-N 298.361 3.705 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 293444189 UGYCTRULKFZVSP-UHFFFAOYSA-N 287.338 3.552 30 20 CHED C=CCCc1noc(-c2cc(C3CC3)n(C(C)(C)C)n2)n1 297396324 SDWHSWGQQNHKIS-UHFFFAOYSA-N 286.379 3.684 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(OC)cc1 806091676 XSCJDOPTGSBDSG-UHFFFAOYSA-N 276.380 3.953 30 20 CHED N#Cc1cccc(C(=O)OCCc2ccccc2Cl)c1 805334081 CBJOVOXANZQDPL-UHFFFAOYSA-N 285.730 3.611 30 20 CHED C=CCn1c(C(C)C)nnc1N(CCC(C)C)C1CC1 569890632 PEWGXCCLKUFMKT-UHFFFAOYSA-N 276.428 3.602 30 20 CHED C=CCCC1(c2nc(-c3cnc4ccc(C)cn34)no2)CC1 567791841 JBFYXPGKWCPEDF-UHFFFAOYSA-N 294.358 3.691 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2ccccc2SC)nc1 800010289 KLTBNELPFXOCRC-LBPRGKRZSA-N 297.379 3.703 30 20 CHED C=CCC1(c2nc(Cc3ccc4c[nH]nc4c3)no2)CCC1 809479587 IECCFSUJXLQMPA-UHFFFAOYSA-N 294.358 3.535 30 20 CHED CC#CCCCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1 291109205 BTKCLKAVXGFXJN-UHFFFAOYSA-N 295.386 3.621 30 20 CHED CN(Cc1cc(C#N)n(C)c1)[C@H]1CCC[C@H]1C(C)(C)C 562811930 OGLIWERPRMKWHT-CVEARBPZSA-N 273.424 3.543 30 20 CHED C/C=C/c1ccc(NC(=O)c2ccc(C#N)s2)cc1 561651157 OCLUHVIZTKCIHG-NSCUHMNNSA-N 268.341 3.905 30 20 CHED C=CCCCCNC(=O)c1ccccc1OC(F)(F)F 471677601 HTUCZSFQZGTZDT-UHFFFAOYSA-N 287.281 3.671 30 20 CHED C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)c1ccccc1 564890016 VGFYYOUWPBYZNF-HNNXBMFYSA-N 299.418 3.515 30 20 CHED CC(C)[C@@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 470156684 QRXYCWAZSZTSQN-KZNAEPCWSA-N 292.382 3.608 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)C(C)(C)C 807883428 MSIZKZNGTGIGBM-XJKSGUPXSA-N 289.394 3.559 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 805344210 WFSQBSZHIOBAOZ-USXIJHARSA-N 284.403 3.581 30 20 CHED CC[C@@H](CC#N)NCc1ccc(Sc2ccccn2)o1 293615050 MCTVSYSRALGYRX-LBPRGKRZSA-N 287.388 3.608 30 20 CHED N#Cc1cccc(NC[C@H]2CCCCC2(F)F)c1[N+](=O)[O-] 391054744 INUVMPLPIUPTQN-LLVKDONJSA-N 295.289 3.704 30 20 CHED N#Cc1cc2ccccc2nc1N1CCC[C@@H](C2CC2)C1 808125204 NICYOJRGWICNSH-OAHLLOKOSA-N 277.371 3.733 30 20 CHED C[C@@H](C#N)OCCN[C@@H](C)c1cc(Cl)ccc1Cl 801937255 ILPOEJXSYOFZTC-UWVGGRQHSA-N 287.190 3.573 30 20 CHED FC(F)(F)c1cc(C=NOC2CCCCC2)c[nH]1 807983326 IEPRJXNEIATHRW-UHFFFAOYSA-N 260.259 3.717 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 641986411 IUDPFTMQXXBDSG-XJKSGUPXSA-N 273.376 3.560 30 20 CHED C=C(C)CCNCc1csc(-c2ccc(OC)cc2)n1 648727212 YVGRXSNJRBJTRW-UHFFFAOYSA-N 288.416 3.875 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC2(CCCC2)C1 814460901 UBRZTWXJGPVMLA-UHFFFAOYSA-N 264.413 3.564 30 20 CHED CCc1ccccc1NN=C1CC[C@@H](CC(=O)O)[C@@H]1C 814802265 ZCIGCTIAHMHWDS-AAEUAGOBSA-N 274.364 3.538 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc2nc(O)oc2c1 645478393 PGSMGHMLFVJWTG-LLVKDONJSA-N 274.364 3.786 30 20 CHED N#Cc1cccc(Cl)c1NCC1CC(F)(F)C1 488452156 XBAQQEIFOAKCGX-UHFFFAOYSA-N 256.683 3.669 30 20 CHED CCc1ccc(NC(=O)c2cccc(F)c2C#N)cc1C 489578505 BQPFTKYNOBMVBB-UHFFFAOYSA-N 282.318 3.821 30 20 CHED N#CCCC1CCN(c2cc(C(F)(F)F)ccn2)CC1 567230934 NDISZHFDOOFGIJ-UHFFFAOYSA-N 283.297 3.621 30 20 CHED C=CCn1cccc1C(=O)N1CCC2(CCCCC2)CC1 488842738 UANUKVYLYSMIPH-UHFFFAOYSA-N 286.419 3.861 30 20 CHED C=CC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 488316084 RKBQSTUMCJQBLF-UHFFFAOYSA-N 258.340 3.705 30 20 CHED Fc1cc(C=NOC2CCC2)cc(C(F)(F)F)c1 812236310 JRILSZPYJDGMEN-UHFFFAOYSA-N 261.218 3.748 30 20 CHED CC(C)(CCC(=O)N[C@@]1(C#N)CC1(C)C)c1ccccc1 484916457 DYTXNOLXYPIKNX-GOSISDBHSA-N 284.403 3.553 30 20 CHED C[C@@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)Cc2ccccc21 811709720 IOGMGQDKXHFGJW-GFCCVEGCSA-N 293.326 3.590 30 20 CHED CC[C@@H](C)Sc1ccc(NC(=O)NCCC#N)c(C)c1 488380949 RESWVTFQVOTXOM-GFCCVEGCSA-N 291.420 3.921 30 20 CHED C[C@@H](C=NNc1ncncc1Cl)C1CCCCC1 814909882 RABKMISUMFVOQL-JTQLQIEISA-N 266.776 3.744 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(Cc2ccc(C#N)cn2)C1 570624750 ZZUBUBVPJWKVPI-RDJZCZTQSA-N 291.398 3.640 30 20 CHED CC#CCNC(=O)C1(c2c(Cl)cccc2Cl)CCC1 576660519 MBASPLLYPPDMSL-UHFFFAOYSA-N 296.197 3.555 30 20 CHED FC(F)(F)CCNN=C1CC[C@@H](c2ccccc2)C1 814920932 ZJBNLWWCBNXTOI-GFCCVEGCSA-N 270.298 3.852 30 20 CHED C=CCCCCN[C@@H](Cn1ccccc1=O)c1ccccc1 573059842 DMFFHSSJLMYVKI-SFHVURJKSA-N 296.414 3.536 30 20 CHED COc1ccccc1/C=C\CN1CCCC(C)(C)[C@H]1C#N 579795461 JMBMSCNKUHXGTJ-UXHZXRBQSA-N 284.403 3.723 30 20 CHED FC(F)(F)c1cccc(NN=C2CC[C@H]2C2CC2)n1 814853394 MBNMIXKLDCZIDC-VIFPVBQESA-N 269.270 3.688 30 20 CHED Clc1ccc(NN=C2COc3cccc(Cl)c32)cn1 814858976 KJZTYQWSQUVJFB-UHFFFAOYSA-N 294.141 3.597 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H]1CCC[C@@H]1C#N 480255332 BMBXXKUYNBQNCP-OWCLPIDISA-N 276.424 3.647 30 20 CHED CCCN(c1cc(C#N)ncn1)[C@H](CC)c1ccccc1 578588568 NTUHSRQIZLJGLM-MRXNPFEDSA-N 280.375 3.716 30 20 CHED COc1cc(/C=C2\Cc3c(C)cccc3C2=O)cc(OC)c1 729151513 SRNZVNIQDNQPDU-VGOFMYFVSA-N 294.350 3.835 30 20 CHED Cc1cccc2c(C(=O)O[C@@H](C#N)C(C)(C)C)coc12 820578927 WBFPPNGJTAENMM-ZDUSSCGKSA-N 271.316 3.836 30 20 CHED C=CCC1(CNC(=O)[C@@H](C)c2c(C)noc2C)CCCC1 654082101 DOBCKPRMDOXCLP-LBPRGKRZSA-N 290.407 3.648 30 20 CHED CCC[C@H](CCc1ccccc1)NC(=O)[C@@](C)(C#N)CC 573011518 BSWAVWCAGYBLOT-SJLPKXTDSA-N 286.419 3.844 30 20 CHED CC[C@@H](NC(=O)C#CC(C)C)c1cccc(Cl)c1 821050808 ZLNHXLLZXSIAFO-CQSZACIVSA-N 263.768 3.567 30 20 CHED C(=NNCCCc1ccccc1)c1c[nH]c2ccccc12 729147582 CFWXTMQTMLLYMW-UHFFFAOYSA-N 277.371 3.724 30 20 CHED CCOc1ccc(C(C)=NNC2CCCC2)cc1OCC 727651824 BIWHGCPNWSQLJJ-UHFFFAOYSA-N 290.407 3.740 30 20 CHED C#C[C@H](NCc1cccnc1Cl)c1ccc(Cl)cc1 491484614 JVAZPJQCJWICST-AWEZNQCLSA-N 291.181 3.853 30 20 CHED C=CCCNC(=O)N(Cc1ccccc1)CC1CCC1 661572343 KLVUTAPLDKHASV-UHFFFAOYSA-N 272.392 3.574 30 20 CHED C=CCC1(NC(=O)NC[C@@H]2CCC(F)(F)C2)CCCC1 664797381 DAIODLJQSBVEIL-GFCCVEGCSA-N 286.366 3.610 30 20 CHED CC(C)(CC#N)CSc1nc(O)cc(-c2ccccc2)n1 901616108 KLMCKBDNZNLFSA-UHFFFAOYSA-N 299.399 3.881 30 20 CHED C#C[C@@H](C)N(C)C(=S)Nc1ccc(Cl)c(Cl)c1 491288536 SMXZCFJCXOUSEX-MRVPVSSYSA-N 287.215 3.644 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(C2CCCCC2)CC1 735114197 VWJFBXMDXYSWRJ-CQSZACIVSA-N 278.440 3.953 30 20 CHED Cc1cc(-n2cccn2)ccc1N=Cc1ccccc1O 588565438 WPEVFOCRBWQKOR-UHFFFAOYSA-N 277.327 3.637 30 20 CHED C=CCN(C)C(=O)/C(C)=C/c1ccc(OC(F)(F)F)cc1 837548469 MGTBTTYGYWNTMR-ZHACJKMWSA-N 299.292 3.633 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(Cc2ccncc2)cc1 837309995 CSPJNKBTYYWURN-UHFFFAOYSA-N 292.382 3.660 30 20 CHED N#CC1(CCCCOC(=O)c2c[nH]c3nccc-3c2)CCC1 909376386 KASNSVWOXPHKTK-UHFFFAOYSA-N 297.358 3.535 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)c1ccc(F)cc1 731211691 VOCOHTGIXBDMQG-UHFFFAOYSA-N 284.334 3.755 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cc(OC3CCC3)ccn2)no1 581067858 VMBCGNJYWSPYOD-UHFFFAOYSA-N 299.374 3.917 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)C(=O)CCCCCC#N 588162862 LLKPPJBVYGCKGI-UHFFFAOYSA-N 296.773 3.912 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC[C@@](C)(C#N)C3)c2c1 589865142 SKBVLAGKUJCRSR-SFHVURJKSA-N 290.370 3.545 30 20 CHED C#CCC[C@H](C)OC(=O)Cc1c[nH]c2cc(Cl)ccc12 839036112 RAPKXIDHOYBZFT-NSHDSACASA-N 289.762 3.709 30 20 CHED CCO[C@H]1C[C@H](NC(=O)CCCCCC#N)C1(CC)CC 588160915 VRPJHOOERRCMOM-GJZGRUSLSA-N 294.439 3.560 30 20 CHED CCC#C[C@H](C)Sc1nnc(-c2sc(C)nc2C)o1 677131652 QPKVTXGIIPAXEK-QMMMGPOBSA-N 293.417 3.704 30 20 CHED Cc1cc(N2CC[C@H](c3ccccc3C)C2)cc(C#N)n1 581505270 CHQMVEJGDQTIDI-HNNXBMFYSA-N 277.371 3.564 30 20 CHED Cn1ccc2cccc(NC(=O)CCCCCC#N)c21 588165301 VZCQFRYNTAZKQQ-UHFFFAOYSA-N 269.348 3.591 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1cncc(C)c1 835021625 YNWUSVBTHMQJMH-QGZVFWFLSA-N 283.350 3.530 30 20 CHED O=C(CCc1ccoc1)N(O)Cc1cccc2ccccc12 901370633 BNDZTTNJRQMZGD-UHFFFAOYSA-N 295.338 3.783 30 20 CHED C=CCC1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC1 581909073 KDPBKAJWYOXOAO-UHFFFAOYSA-N 285.303 3.643 30 20 CHED C#CCC(C)(C)C(=O)OCc1cnc2ccc(C)cc2c1 836105178 AJOJXFIVKTYDDE-UHFFFAOYSA-N 281.355 3.636 30 20 CHED C=CCN(C(=O)/C=C(/C)Cc1ccccc1OC)C(C)C 730167774 GZCDSKGAMOHEAD-SQFISAMPSA-N 287.403 3.607 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCC(=O)c1ccccc1 907808274 PULIDADJWPVVGW-MRXNPFEDSA-N 285.387 3.607 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2cnnc3ccccc23)o1 733748212 LSPLAFYCOXARCQ-FZMZJTMJSA-N 292.342 3.792 30 20 CHED C=CCCCCOC(=O)C[C@@H](C)c1ccc(N)cc1 837630062 MIJYRQBDPAJYCF-CYBMUJFWSA-N 261.365 3.662 30 20 CHED CC[C@H](/N=C\c1cccc(O)c1O)c1ccc(F)cc1F 737440360 FYEPZILWNXAUTJ-GPMKDSKKSA-N 291.297 3.946 30 20 CHED N#Cc1ccc(NC[C@@H]2COc3ccccc3C2)cc1Cl 731921571 ZZBBRVKMDLKDRR-GFCCVEGCSA-N 298.773 3.875 30 20 CHED C=C(Cl)CNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 736237922 BTKUFIXETKEYQN-JQWIXIFHSA-N 257.805 3.708 30 20 CHED CCCNc1ccc(Cl)cc1NC(=O)C#CC1CC1 837473496 FNUVSXXXJHSLOM-UHFFFAOYSA-N 276.767 3.514 30 20 CHED CC[C@H](C)CON=CC(C)(C)CNC(=O)OC(C)(C)C 834981084 IMSJABIUQWYPGG-LBPRGKRZSA-N 286.416 3.586 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Cl)nc(Cl)c1 839326876 VSPTVDMCLCDQQG-UHFFFAOYSA-N 273.163 3.929 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCc2c(C)cccc21)OCC 677307334 YKEYSDRQGVOSKP-QGZVFWFLSA-N 287.403 3.646 30 20 CHED C#CCOc1ccccc1CNC(=O)C[C@@H]1CCCC[C@H]1C 734105258 INWMWEBWLQPZDT-CVEARBPZSA-N 299.414 3.531 30 20 CHED C(=NNc1ncccn1)c1ccccc1-c1ccccc1 917546512 ZZYNRKULLZODRE-UHFFFAOYSA-N 274.327 3.590 30 20 CHED COc1ccc(C(C)=NOCc2ccccc2)cc1OC 839419713 SPBXLEYYBGNWEX-UHFFFAOYSA-N 285.343 3.645 30 20 CHED CC(C)CCCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 838785858 BUNJKXCCSACBAV-OAHLLOKOSA-N 286.375 3.550 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)C[C@@H](C)C#N 918134724 CKBXZKDGENSPMG-CABCVRRESA-N 281.444 3.784 30 20 CHED COCc1cccc(C=NN[C@@H](C)c2ccccc2)c1 743435358 CIXBJMMHAYHTIH-AWEZNQCLSA-N 268.360 3.518 30 20 CHED C=C(C)CSCc1nnc(-c2cccc(F)c2)o1 747846672 MQNYCDUOXWJRMA-UHFFFAOYSA-N 264.325 3.685 30 20 CHED O=C(Nc1cccc(C#Cc2cccs2)c1)c1cc[nH]c1 597692684 SBUUPWWPMVLUTK-UHFFFAOYSA-N 292.363 3.728 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)C1CCCC1 591808812 TVAZDMZBBTUDSH-KGLIPLIRSA-N 284.403 3.904 30 20 CHED CC#CCCCC(=O)OCCc1ccc2ccccc2n1 845656811 MCVITPZCUHGDLS-UHFFFAOYSA-N 281.355 3.514 30 20 CHED CSCc1cccc(CNc2nc(C#N)ccc2C)c1 596202434 DOPSGPZRNAPSBM-UHFFFAOYSA-N 283.400 3.737 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2c(F)cccc2Cl)C1 592244061 DLUZONNQKHFARS-CQSZACIVSA-N 295.745 3.637 30 20 CHED C=C(C)CNc1ccc(C)c(OCC2CCOCC2)c1 741244623 JKFJBQQQSGLYSQ-UHFFFAOYSA-N 275.392 3.788 30 20 CHED c1cc2c(c(NN=C3CCn4cccc43)c1)CCCC2 917553547 ZADZCHLKNZDUTR-UHFFFAOYSA-N 265.360 3.587 30 20 CHED CC(C)N(CCC#N)C(=O)CC(C1CCC1)C1CCC1 599234159 HDMLDRAUVBFRCS-UHFFFAOYSA-N 276.424 3.744 30 20 CHED C#C[C@@H](NC(=O)C1(c2ccccc2C)CC1)c1ccccc1 843640067 XBPIMDDCXJGJRS-GOSISDBHSA-N 289.378 3.517 30 20 CHED CC(C)CN(C(=O)CC#N)[C@H](C)c1ccccc1Cl 597842771 PXSVBYCFZGTFJU-GFCCVEGCSA-N 278.783 3.799 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cc(C)nn2C)c(C)c1 849247954 HTEHDWXMSFCTBM-CLFYSBASSA-N 298.386 3.722 30 20 CHED C(=NNc1ccccc1)c1ccc(Oc2cnccn2)cc1 743419759 ZVRIMGDXKFXKAX-UHFFFAOYSA-N 290.326 3.715 30 20 CHED CCCc1ccc(C(=O)/C=C\c2ccc(C(=O)OC)o2)cc1 749452775 NRWCKJVVLHJDJR-LUAWRHEFSA-N 298.338 3.915 30 20 CHED C=C[C@@H](C)ONC(=O)N(Cc1ccccc1)[C@H](C)CC 845632075 WJKQJIOTURUYIA-ZIAGYGMSSA-N 276.380 3.503 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 599598755 UBRYMHNFKGGYMA-HNNXBMFYSA-N 286.419 3.681 30 20 CHED CN(C(=O)CCCC#N)C1CC(C)(C)CC(C)(C)C1 598095104 CEDANBSYRFGXDM-UHFFFAOYSA-N 264.413 3.744 30 20 CHED C#CCNC(=O)N[C@@H](CCC)c1ccc(Cl)c(Cl)c1 746511844 MIZRPUHEEKATFF-ZDUSSCGKSA-N 299.201 3.767 30 20 CHED CC(=NNC(=S)N[C@H]1CCCC[C@H]1C)c1ccsc1 749098716 GVDOPDNBFNCWTA-MFKMUULPSA-N 295.477 3.515 30 20 CHED C#CCCCCCC(=O)Nc1c(O)cccc1Cl 848139885 GLPISNHPVHLSBL-UHFFFAOYSA-N 265.740 3.568 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C(=O)C#Cc1ccccc1 747407649 AESPQUZXFYUGBB-IBGZPJMESA-N 291.394 3.518 30 20 CHED CC1(C)CC(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 597793970 ZYULEUXWIPTTEN-GXTWGEPZSA-N 276.424 3.647 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(OCC#N)cc1 743450575 NBNFQPZCXNJKOD-OAHLLOKOSA-N 287.407 3.871 30 20 CHED N#CCC1(CNc2ccc(OC(F)(F)F)c(C#N)c2)CC1 849316531 GGBLEPBPXNAPCM-UHFFFAOYSA-N 295.264 3.563 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2ccc(C)cc21 682379720 FRNARBBQKORVMU-WBVHZDCISA-N 257.377 3.701 30 20 CHED Cc1ccccc1C=NOCc1nnc(C(C)C)s1 842017191 JYDSRVIMXQJAAE-UHFFFAOYSA-N 275.377 3.521 30 20 CHED C=CCCCC(=O)N(CCC)Cc1ccccc1F 748299028 IWXCTMZMHHJDIX-UHFFFAOYSA-N 263.356 3.921 30 20 CHED C=CCc1cc(OC)cc(CN2CCC[C@@H]2CC)c1O 754726704 NDGLIXGEYCGIRJ-HNNXBMFYSA-N 275.392 3.504 30 20 CHED CCCc1ccc(/C=C\C(=O)c2cnn(CC)c2)s1 857203173 YSIQDSSMTKGWDP-HJWRWDBZSA-N 274.389 3.813 30 20 CHED COc1ccc(F)cc1[C@H](C)N[C@H](C)CC(C)(C)C#N 924705809 MNQRZDCDZDHDJV-NEPJUHHUSA-N 278.371 3.813 30 20 CHED N#CC[C@H]1CCCN(C(=O)OCc2cccc(Cl)c2)C1 859218726 VCVWOHFAICPWFH-GFCCVEGCSA-N 292.766 3.602 30 20 CHED C[C@@H](C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 752000998 DPSFPFBEYRHYKG-GFCCVEGCSA-N 283.302 3.544 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1cc(F)cc(F)c1)OCC 756579160 JSZGSPJBHNAKQX-IAQYHMDHSA-N 298.329 3.940 30 20 CHED N#CCC[C@H](NCc1cnn(C2CCC2)c1)c1ccccc1 921925486 PZNBREWHEGSBPF-SFHVURJKSA-N 294.402 3.743 30 20 CHED C=CCC[C@H](C)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 850554202 AXIFPSUXFYBHPV-IINYFYTJSA-N 288.218 3.971 30 20 CHED Cc1ccc(N(C)C(=O)CC2(C#N)CCCCC2)c(F)c1 857628585 AJQZUOXRFCFZKS-UHFFFAOYSA-N 288.366 3.961 30 20 CHED Cc1ccnc(NC=C2C(=O)CC3(CCCCC3)CC2=O)c1 920976205 KGMACELTGRLPCE-UHFFFAOYSA-N 298.386 3.568 30 20 CHED N#Cc1ccccc1C=NNc1cccc(Cl)c1 755472548 WZPZHMJHGGDDBW-UHFFFAOYSA-N 255.708 3.658 30 20 CHED C/C(=C/C(=O)N[C@](C)(C#N)C(C)(C)C)c1cccs1 857602463 IGIMPMJECRJPOK-ZHUYAKLQSA-N 276.405 3.596 30 20 CHED C(=NNc1cnc2ccccc2n1)[C@@H]1CCc2ccccc21 755690044 ZGWDCONYDJVUJD-AWEZNQCLSA-N 288.354 3.758 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC[C@@H]2CC2(Cl)Cl)c1 854892068 OXDSAFJETXTYHP-LLVKDONJSA-N 297.185 3.779 30 20 CHED CC(CCc1cccc(C)c1)=NNc1cncc(Cl)n1 920376011 UFUIAXNXGKXMCA-UHFFFAOYSA-N 288.782 3.859 30 20 CHED C[C@H](C#N)c1ccc(-c2scc3c2OCCO3)cc1 854206561 XPGSBEUHWHPSJX-SNVBAGLBSA-N 271.341 3.813 30 20 CHED Cc1cc2c(cc1Br)N(CCCC#N)CCC2 754367575 JFJHYDDDXIVZKC-UHFFFAOYSA-N 293.208 3.814 30 20 CHED COc1cccc(/C=N\[C@@H](C)c2ccc(F)cc2F)c1O 752152242 FTICRWYCPIIKHM-OVNPTBDBSA-N 291.297 3.859 30 20 CHED Clc1ccc(NN=Cc2cnc(C3CC3)s2)nc1 853438073 ZARHDNFVDRDDJK-UHFFFAOYSA-N 278.768 3.515 30 20 CHED CC(=NNC1CC1)c1ccc(Br)cc1Cl 758134272 XEXFZRNYZXYGQS-UHFFFAOYSA-N 287.588 3.579 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C(=O)OCC)cc1 758382432 WJYCGQNADYCHRZ-UHFFFAOYSA-N 288.343 3.537 30 20 CHED CCC[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccccn1 851203800 FQSQANQPCQJSLJ-KBPBESRZSA-N 288.391 3.837 30 20 CHED C/C=C(\C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 751372068 BFRVOVRKJBDUFD-AEBAWRHJSA-N 283.158 3.640 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2sccc2C#N)cc1C 931836096 UUJKTAXBNMNNIC-UHFFFAOYSA-N 299.399 3.901 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N(CCC#N)CC1CC1 931938450 PNWKZJXDEIYFDU-UHFFFAOYSA-N 288.391 3.651 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H](F)c1ccccc1 769367841 GBPMENRJHAYJQC-INIZCTEOSA-N 298.317 3.606 30 20 CHED N#Cc1ccc(NN=Cc2nc3ccc(F)cc3s2)cc1 761782830 RQOQPTSLNBESIB-UHFFFAOYSA-N 296.330 3.753 30 20 CHED C#CCCc1noc(-c2cc(CCC)c(C)s2)n1 761999728 SKZAYOYPFGDLSA-UHFFFAOYSA-N 260.362 3.625 30 20 CHED N#CC1(COC(=O)Cc2cc(Cl)ccc2Cl)CCC1 768092124 XCJRCKIFGCDPNZ-UHFFFAOYSA-N 298.169 3.773 30 20 CHED C#Cc1ccc(-c2nc([C@H](C)c3ccccc3C)no2)nc1 762337307 VBEJILIGCSPQBO-CYBMUJFWSA-N 289.338 3.573 30 20 CHED C#CCOc1ccc([C@H](C)NCCc2ccccc2)cc1 764544538 KTIMFRJUDGCZGA-INIZCTEOSA-N 279.383 3.592 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1ccc(F)cc1 860499829 CCOCXMJIDSIVDO-LLVKDONJSA-N 263.312 3.760 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc(Cl)cc1C 769092827 QFHGZEIBQCQYQR-LBPRGKRZSA-N 282.767 3.673 30 20 CHED N#C[C@@H](Sc1nccn1C1CC1)c1ccccc1 1118474180 ZDFUZZQGENICRV-CYBMUJFWSA-N 255.346 3.575 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(C)s1 767362849 OLCQCONCYKUPNJ-UHFFFAOYSA-N 255.346 3.764 30 20 CHED C#CCN(C(=O)CCc1ccc(C(C)(C)C)cc1)C1CC1 763797573 XOYPFQHBFOFDAF-UHFFFAOYSA-N 283.415 3.541 30 20 CHED CCc1ccc(C=NNCc2cnc3ccccc3c2)cc1 764776261 ULWHQUAYDLBPKS-UHFFFAOYSA-N 289.382 3.921 30 20 CHED C#C[C@@H](C)N(C)Cc1csc(-c2ccc(Cl)cc2)n1 769962385 YGTKODSLPCIZJF-LLVKDONJSA-N 290.819 3.917 30 20 CHED CCC1(C(=O)OCC(=O)c2ccc(C#N)cc2)CCCCC1 764655797 NGTGXDOIZXUESD-UHFFFAOYSA-N 299.370 3.645 30 20 CHED CC#CCCCC(=O)OCc1ccc(SC)cc1 767666193 BOJGFSBIXFBMLY-UHFFFAOYSA-N 262.374 3.645 30 20 CHED C#CC[C@H](NCc1ccc(N(C)CC)cc1)c1ccccc1 773813634 VNRCIBTWOMOWSP-FQEVSTJZSA-N 292.426 3.997 30 20 CHED FC(F)(F)C(F)(F)CNN=Cc1cccc2ccoc12 1118894099 YJCLCMSITDTTRK-UHFFFAOYSA-N 292.207 3.554 30 20 CHED C[C@@H](OC(=O)C1(C)CC(F)(F)C1)c1cccc(C#N)c1 873441251 OCJCEQYHAGNXNW-SNVBAGLBSA-N 279.286 3.598 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@H](C)[C@H](C)C1 773092590 GJIYXLWGLOIUDJ-NWDGAFQWSA-N 260.385 3.824 30 20 CHED Cc1ccc(C)c(/C=C2\CC(=O)Nc3ccccc3C2=O)c1 774142932 SZFYCDYLSMRMPF-XNTDXEJSSA-N 291.350 3.912 30 20 CHED C#CCCCCN[C@@H](CCc1ccccc1)C(F)F 779412123 JFWVMCWVMSZFDO-HNNXBMFYSA-N 265.347 3.646 30 20 CHED C#CCCCCCC(=O)OCc1ccc(C)c(OC)c1 779957129 BABHBXRHNVCPDT-UHFFFAOYSA-N 274.360 3.631 30 20 CHED Cc1cccnc1NN=CC1([C@H]2CCCCO2)CCC1 872368427 IPXVFBYQKDPKQD-CQSZACIVSA-N 273.380 3.527 30 20 CHED Cc1cccc(C)c1CNC(=O)Nc1cccc(C#N)c1C 770290461 WKDRKOLJACBZQH-UHFFFAOYSA-N 293.370 3.805 30 20 CHED Cn1ccc2c(C(=O)O[C@H](C#N)C3CCCCC3)cccc21 776382771 YWWBGFGDOGVVPI-QGZVFWFLSA-N 296.370 3.808 30 20 CHED C#CCCCCCC(=O)Nc1cc(CC(C)(C)C)nn1C 779924701 DDVKJVCMHRBAHF-UHFFFAOYSA-N 289.423 3.531 30 20 CHED C=CCC[C@@H](CC)Nc1cccc([C@@]2(C)COC(=O)N2)c1 883327889 IAPBJAATNNXJLA-RHSMWYFYSA-N 288.391 3.798 30 20 CHED Cc1cc(C)cc(/C=C2/CC(=O)Nc3ccccc3C2=O)c1 774145627 QBXJJFQBLCQKBX-GDNBJRDFSA-N 291.350 3.912 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1CCCc2sccc21 776397491 ZQVDTWIVGISZDR-GFCCVEGCSA-N 277.389 3.651 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H](CC)C2CC2)c1 772985787 YWBZUBREGPDKNB-RDJZCZTQSA-N 272.392 3.646 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(Cl)cc(F)c1O 775677816 RCUAYSLEUSNLNQ-UHFFFAOYSA-N 298.789 3.946 30 20 CHED N#Cc1ccc(F)c(NC(=O)Cc2ccc(Cl)s2)c1 1129715720 MRLRLNVQGPNEKX-UHFFFAOYSA-N 294.738 3.593 30 20 CHED COc1cccc(/C=N\[C@H](C)c2ccc(N(C)C)cc2)c1O 773907893 VWWKFGYMYWXNJC-CQLSMYGBSA-N 298.386 3.647 30 20 CHED C=CCC1(NC/C=C/c2cccc(F)c2)CCOCC1 886160424 SUFLFYUQGUFVNT-GQCTYLIASA-N 275.367 3.554 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)[C@]1(C)CCCO1 782153114 XCBGCBSESZWMRC-LBPRGKRZSA-N 288.178 3.745 30 20 CHED C=C1CCC(C(=O)N(CC)c2nc(C)cs2)CC1 889099703 KNPNGRFFUZSOAI-UHFFFAOYSA-N 264.394 3.551 30 20 CHED C#CCC1(C(=O)Nc2cc3c(cc2C)OCO3)CCCCC1 788461253 KEAUXADBLPUWSL-UHFFFAOYSA-N 299.370 3.636 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1-c1ncco1 889016317 RUBQYVDXYBXFFD-CYBMUJFWSA-N 297.358 3.914 30 20 CHED C=CCCC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccccc1 883198141 AZCDEAAZXRMTEU-CGTJXYLNSA-N 271.404 3.611 30 20 CHED C(=NOCc1ccccc1)c1c[nH]nc1-c1ccsc1 780209690 KYEDENAWHDFGEX-UHFFFAOYSA-N 283.356 3.689 30 20 CHED CCCC(Cc1ccccc1)=NNCCc1ccncc1 789098304 SMRIFTKEDNIPQD-UHFFFAOYSA-N 281.403 3.613 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H]1CCCCC(F)(F)C1 880086277 CLBRWXBWKGSJRS-GFCCVEGCSA-N 273.367 3.921 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2ccc(OC)cn2)C1 780267217 IDDNVDYUMMSUJI-OLZOCXBDSA-N 261.369 3.704 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1cncs1 787172387 LOXMYQRRZSRFPU-WAYWQWQTSA-N 266.325 3.587 30 20 CHED C#CCCCCNC(=O)c1cc2ccccc2n1CCC 787118907 LUZXBOXTCVHMLL-UHFFFAOYSA-N 282.387 3.585 30 20 CHED C=CCN(CC=C)Cc1ccccc1C(F)(F)F 302807645 HHOYYTNZSNDNOT-UHFFFAOYSA-N 255.283 3.879 30 20 CHED C=CCC1(O)CCN(C[C@@H](C)c2ccc(C)cc2)CC1 895834472 LTNHLOYRRNKOGY-MRXNPFEDSA-N 273.420 3.502 30 20 CHED C=CCCCC(=O)Nc1ccc2sc(C)nc2c1 781208559 IPMNOGNWOFFVRR-UHFFFAOYSA-N 260.362 3.900 30 20 CHED N#Cc1ccc(COC(=O)c2ccsc2)c(Cl)c1 784191559 QDZFXCCYINSENT-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CC(C)(C)c1ccc(C=NNCCc2ccncc2)cc1 789095110 YDXJGJKKINMDEF-UHFFFAOYSA-N 281.403 3.545 30 20 CHED C=CCCCC(=O)OCc1ccc(Cl)c(F)c1 785681088 YOSJQSWOUZJAQW-UHFFFAOYSA-N 256.704 3.879 30 20 CHED CC/C(C)=C(\C)C(=O)N(CCC#N)CCC(C)C 780930885 UADHARWZLMZERI-BUHFOSPRSA-N 250.386 3.521 30 20 CHED Cc1ccc(/C=C2\COc3c(F)ccc(F)c3C2=O)s1 783715603 ZEWZQJOQSBOIFO-RMKNXTFCSA-N 292.306 3.993 30 20 CHED CCSc1ccc(CNc2cccc(C#N)n2)cc1 1472864870 XFTKXMRZWGVWPB-UHFFFAOYSA-N 269.373 3.677 30 20 CHED CC[C@H](C)CC[C@H](O)CC(=O)O[C@@H](C#N)C1CCCCC1 796348104 FPXYQVYKNSKNCU-BPUTZDHNSA-N 295.423 3.579 30 20 CHED CC(C)O[C@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 796409546 MXLPVTSZSMJAMT-HNNXBMFYSA-N 289.375 3.636 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(Br)c1 393816702 JNGVVUTZZXSUAG-LBPRGKRZSA-N 282.181 3.534 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C(=O)N1CCCC1)C(C)C 793543296 ZDFUCNXLNFLUNM-IRXDYDNUSA-N 294.483 3.748 30 20 CHED CC(C)C(C)(C)C(=O)Nc1ccc(C#N)cc1Cl 275906717 VICUCNAQROHHDQ-UHFFFAOYSA-N 264.756 3.832 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)CCN1Cc1ccccc1 396369627 BTAQVKLWDYASQN-QGZVFWFLSA-N 299.462 3.523 30 20 CHED CC1(C)CCC[C@H]1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 792099413 AEUZWIOFYNGCMI-STQMWFEESA-N 293.370 3.632 30 20 CHED CC(C)[C@H](C=NNc1ncccc1[N+](=O)[O-])c1ccccc1 794521584 ZAYCELVSNSAESO-AWEZNQCLSA-N 298.346 3.827 30 20 CHED CCc1ccc(C(C)=NNCCC(F)(F)F)cc1 794547212 GOCHFFZDRHARQV-UHFFFAOYSA-N 258.287 3.515 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1ccccc1SC 799506455 MNGZZQHQEYBOMH-NSHDSACASA-N 280.462 3.510 30 20 CHED CC(=NOC1CCCCC1)c1ccc(Br)cn1 794535543 JATIITNCPQDIRK-UHFFFAOYSA-N 297.196 3.917 30 20 CHED N#Cc1cc2ccccc2nc1N1CCCCCCC1 70218024 WUFYAKNGROPILR-UHFFFAOYSA-N 265.360 3.877 30 20 CHED Fc1ccc(/C=C/C=NN=c2cc[nH]cc2Cl)cc1F 794919088 OKXUEZSGRFEINR-MURYRYTESA-N 293.704 3.546 30 20 CHED C=CCCCN1Cc2ccc(Br)cc2C1 707956855 QGEGYRGDKLARLL-UHFFFAOYSA-N 266.182 3.731 30 20 CHED C#CCCCN[C@@H]1CCCc2cc(Br)ccc21 794804867 VSLWZXYMVFSRDS-OAHLLOKOSA-N 292.220 3.830 30 20 CHED C=CCOCCOC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 797283498 ORTYFJACJCORLM-ROUUACIJSA-N 296.366 3.689 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1cc(C)c(C)o1 799878206 MOHQYJQEYKPLAF-UHFFFAOYSA-N 296.330 3.783 30 20 CHED C=CCOCCOC(=O)c1oc2ccc(Cl)cc2c1C 797284254 RAATUWXZPYYOPC-UHFFFAOYSA-N 294.734 3.754 30 20 CHED Cc1cccc(C=NNc2cccc(F)c2[N+](=O)[O-])c1C 790310848 TYHAITDCOHGTLE-UHFFFAOYSA-N 287.294 3.797 30 20 CHED C=CCCCOC(=O)c1ccc(Br)s1 735524211 JXTHEHOIVNSNKS-UHFFFAOYSA-N 275.167 3.634 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2CCCC(C)(C)C2)c1 755438472 LZKJLHKDVHCPTP-CQSZACIVSA-N 255.361 3.823 30 20 CHED C[C@@H](c1ccccc1)n1cc(Nc2ccc(C#N)cn2)cn1 1307148551 GDFDKUQEUKLLLG-ZDUSSCGKSA-N 289.342 3.503 30 20 CHED Cc1ccc(F)cc1NC(=O)Nc1ccc(OCC#N)cc1 1318572288 FHBVLMITTFMTIR-UHFFFAOYSA-N 299.305 3.681 30 20 CHED C=C(C)CNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1320784269 XUFGYXRFUNFQPM-UHFFFAOYSA-N 286.202 3.963 30 20 CHED CCCCCC[C@H]1CCCC1=NNc1ccn(C)n1 1320814541 OCGBJBBZBILUFW-ZDUSSCGKSA-N 262.401 3.959 30 20 CHED C=C[C@H](COC)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 1325239932 POOGYWWCYWROJQ-FVQBIDKESA-N 279.811 3.767 30 20 CHED N#Cc1c[nH]nc1NCc1ccc(-c2ccc(Cl)cc2)o1 1178677450 HTSFLVCFHDTVSL-UHFFFAOYSA-N 298.733 3.807 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 1337549078 AVINCXZOLVOPLS-QKPAOTATSA-N 259.393 3.546 30 20 CHED C=C(C)CCC(=O)N(Cc1ccco1)CC(F)(F)F 1335756035 MUBJPHNZBDOSDZ-UHFFFAOYSA-N 275.270 3.527 30 20 CHED CCOc1ccc(C=NOC(C)(C)C)cc1OCC 1253788176 AEQGMZHTMZKZFE-UHFFFAOYSA-N 265.353 3.633 30 20 CHED CCCC[C@H](CC)CCCN(C)c1cc(C#N)ncn1 1187091865 URASZIKFFMPMRN-AWEZNQCLSA-N 274.412 3.781 30 20 CHED C=C1CC(c2noc(CSCc3cccs3)n2)C1 1331616872 DGSJRNCWGGGNCT-UHFFFAOYSA-N 278.402 3.998 30 20 CHED C[C@@H](CCC#N)CN1Cc2ccccc2C2(CCC2)C1 1332997357 AMNPAQXNHPOZQQ-HNNXBMFYSA-N 268.404 3.864 30 20 CHED C=CC[C@@H](C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1263380918 FHJHDANLTYEQKS-CABCVRRESA-N 294.329 3.757 30 20 CHED C=C[C@H](C(=O)N(C)C1CC(C)(C)C1)c1ccccc1 1348726352 FLDCDZOLIAIPNF-HNNXBMFYSA-N 257.377 3.603 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1c(F)cccc1Cl 1343384056 RJTZFJQBWXYUSF-OAHLLOKOSA-N 283.774 3.740 30 20 CHED C=CCC1(c2nnc(-c3ccc(C#N)cc3)o2)CCCC1 1346662034 JDHPRVADLDIHKZ-UHFFFAOYSA-N 279.343 3.996 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(CC)cn1 1345897303 IJADHMWTWUBTGJ-CQSZACIVSA-N 273.380 3.607 30 20 CHED N#C[C@H](NC(=O)CC/C=C\c1ccccc1)C1CCCC1 1350306276 UTHGHNJAOSLLBB-JDZBVEAQSA-N 282.387 3.679 30 20 CHED C=CC[C@@H](NC(=O)N1CCC[C@@H]1CCC)c1ccncc1 1527473817 JITCLNSKLQYTAT-JKSUJKDBSA-N 287.407 3.673 30 20 CHED Cc1ccc2[nH]c(C(=O)OC3(C#N)CCC3)c(Cl)c2c1 1524695698 IQEZNZWJNNLFKI-UHFFFAOYSA-N 288.734 3.733 30 20 CHED C=C(CC)C(=O)Nc1ccc(OC(C)C)cc1F 1527625984 QHYHXEZUZUVTJC-UHFFFAOYSA-N 251.301 3.518 30 20 CHED CCC(CC)=NNc1cc(C(=O)O)ccc1Br 1609916783 RHBSSXGLNMFYOS-UHFFFAOYSA-N 299.168 3.735 30 20 CHED Cc1ccc(C)c(C(=O)Nc2cc(C#N)c(F)cc2F)c1 1462281820 NMACHRCUPRINSO-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C[C@@H](Sc1ccc(C(=O)O)nc1C#N)c1cccs1 1604452647 QYSDWKRCEDYHGS-MRVPVSSYSA-N 290.369 3.566 30 20 CHED Cc1cc(C#N)cc(C)c1CSc1ncccc1C(=O)O 1600074118 NQRSHRYSUWVAQV-UHFFFAOYSA-N 298.367 3.561 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(C#N)c(F)cc1F 1535439847 ZNPJEDUADGTSFH-WDEREUQCSA-N 292.329 3.991 30 20 CHED CCC1(CN[C@H](C)c2ccc(OCC#N)cc2)CCC1 224714194 WXZHAZOVDYVSOX-CQSZACIVSA-N 272.392 3.820 30 20 CHED N#Cc1cc(F)ccc1CSc1nc2ccccc2[nH]1 112529537 HJJWGNXZVKFQET-UHFFFAOYSA-N 283.331 3.866 30 20 CHED CC(C)N1CCCC[C@@H]1CN1CCCc2cc(C#N)ccc21 1618202967 NTALDOQAFPKPRP-GOSISDBHSA-N 297.446 3.574 30 20 CHED C=C(CC)CN1CCO[C@@H](c2ccc(Cl)s2)C1 1116462373 SQEUFHZKXIFDLZ-LLVKDONJSA-N 271.813 3.741 30 20 CHED Cc1cc(N2CC[C@H](C(C)(C)C)C[C@@H]2C)ncc1C#N 1559203417 RWYHRMHXSLHACA-ZFWWWQNUSA-N 271.408 3.913 30 20 CHED CN(c1ncccc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C 1640047207 NMKRGLTULOGFGG-ZIAGYGMSSA-N 257.381 3.604 30 20 CHED COc1ccc(CN2CCC[C@H](C#N)C2)cc1C(C)(C)C 1659992770 KXTAFEDYADNYOE-OAHLLOKOSA-N 286.419 3.728 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)c1ccnc(C#N)c1 1655532530 XIXXRIVIPXTCFW-INIZCTEOSA-N 281.359 3.549 30 20 CHED C[C@@H]1CCC[C@H]1CNc1ncc(C#N)cc1Br 1651785203 XLNLTZTVTBXBQL-KOLCDFICSA-N 294.196 3.564 30 20 CHED Cc1cc(Cn2cc(C#N)c3ccccc3c2=O)c(C)s1 1652109686 JXOBWWZSJYRSOW-UHFFFAOYSA-N 294.379 3.600 30 20 CHED C[C@H](NC(=O)c1ccsc1C#N)c1ccc(Cl)cc1 1596558565 NWDJCJYHYYFWTG-VIFPVBQESA-N 290.775 3.764 30 20 CHED CCCC1(CNC(=O)Nc2cc(C#N)ccc2F)CCC1 1672624815 HKTUNIHOZLDXBN-UHFFFAOYSA-N 289.354 3.789 30 20 CHED C=C[C@H](C)ON=Cc1c(F)ccc2sc(C(=O)O)cc12 1776090639 RYEVFBYYPHYPCJ-QMMMGPOBSA-N 293.319 3.664 30 20 CHED O=C(O)c1ccc2c(c1)CCCCC2=NOC1CCCC1 1776112098 DIEGTVJIIIYAGI-UHFFFAOYSA-N 287.359 3.775 30 20 CHED C=CCCC[C@@H](NCc1ccc(C(F)F)cc1)C(=O)O 1776171114 QAJAWPXWAMXXBK-CYBMUJFWSA-N 283.318 3.523 30 20 CHED C=CCC[C@H](CC(C)C)C(=O)NC1(C(=O)O)CCCCC1 1776166828 ZBEVAANFIBXBLF-CQSZACIVSA-N 295.423 3.519 30 20 CHED C=C(C)CNC(=O)Nc1ccc(CCC(F)(F)F)cc1 157562386 UKVURFXERXHBLJ-UHFFFAOYSA-N 286.297 3.879 30 20 CHED CN(CCC#N)Cc1ccccc1OCc1ccccc1 157793361 MIJHATQHEUEXFA-UHFFFAOYSA-N 280.371 3.611 30 20 CHED C#CCCCCNC(=O)c1ccccc1SC(C)C 156528936 CYRGJTJIVYHCLS-UHFFFAOYSA-N 275.417 3.720 30 20 CHED COc1cc(C#N)ccc1CSc1nc(C)cs1 154685615 UWNMNAHHNAWXTB-UHFFFAOYSA-N 276.386 3.624 30 20 CHED CC(C)(C)Oc1ccc(C(=O)/C=C/c2csnn2)cc1 154758990 JSYVTWNAZNMVHZ-RMKNXTFCSA-N 288.372 3.612 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 136226375 ZYFHMJRAYZKPRR-ZDUSSCGKSA-N 284.281 3.892 30 20 CHED C#CCCCCC(=O)NCc1ccccc1C(F)(F)F 271406116 WMCMTZDNMJTXEG-UHFFFAOYSA-N 283.293 3.515 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1 42321116 HCYZQXUEZQUTGL-LLVKDONJSA-N 272.298 3.687 30 20 CHED N#CCCCCNC(=O)c1sccc1-c1ccccc1 171594331 WEHXYIFDZGNKLQ-UHFFFAOYSA-N 284.384 3.839 30 20 CHED N#Cc1cc(NC(=O)c2ccc(F)cc2F)ccc1Cl 48824342 SBFGDXPFCNVVAD-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)c(Cl)c1 179626843 AQQDNLCENVPGKX-UHFFFAOYSA-N 253.704 3.611 30 20 CHED N#Cc1ccc(CNc2ccc(F)c(F)c2)cc1F 190326073 RCTGZSJEGKRGQC-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccoc1Cl 192271351 FBRBFENAJQGLJK-UHFFFAOYSA-N 275.735 3.761 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C)cc(F)c2)c1 308185719 FTMHAUIZEXCCMR-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCc1ccc(C#N)c(F)c1 404822849 FGGSMQVTDUDKHQ-VXGBXAGGSA-N 260.356 3.612 30 20 CHED C[C@@H](NCCCOCc1ccccc1)c1ccc(C#N)cc1 309871349 RFUSZNRTRANBAC-MRXNPFEDSA-N 294.398 3.816 30 20 CHED N#Cc1cc(F)cc(NCc2c(F)cccc2F)c1 600855492 FLSYORHCOPUWOE-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CC[C@@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 610131725 JYBMXIHUCWBDNH-ZYHUDNBSSA-N 263.772 3.987 30 20 CHED CC1(C)C(C(=O)Nc2ccc(Cl)c(C#N)c2)C1(C)C 709700947 MOTSQGPGXPNEGF-UHFFFAOYSA-N 276.767 3.832 30 20 CHED CC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)CC(F)F 595413850 XXARJWXWWRXBDX-NWDGAFQWSA-N 266.335 3.890 30 20 CHED N#Cc1sc(NCc2ccc3c(c2)CCC3)nc1Cl 1117247002 MIHTWOUUDPKGMO-UHFFFAOYSA-N 289.791 3.769 30 20 CHED N#Cc1ccc(Cl)cc1NCc1cnc(C2CC2)o1 450905039 COZYMZXJTXIDOG-UHFFFAOYSA-N 273.723 3.689 30 20 CHED CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 452038639 DJOPRNFLKKKVPP-IAOVAPTHSA-N 272.392 3.557 30 20 CHED C=CCn1c(SCCCCC)nc2ccccc2c1=O 6310261 DKVVVHXOFGXTAM-UHFFFAOYSA-N 288.416 3.865 30 20 CHED C=CCNc1nnc(SCc2cc(F)ccc2F)s1 53280368 BYCDRVCGOJULIK-UHFFFAOYSA-N 299.371 3.707 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(Cl)c1C 116996388 IYTPKNRIMAXLOT-VIFPVBQESA-N 252.745 3.735 30 20 CHED N#Cc1cnc2ccccc2c1N1Cc2ccccc2C1 50912534 JTPCVMJVLMEISI-UHFFFAOYSA-N 271.323 3.627 30 20 CHED C[C@@H](NC(=O)CSc1cccc(C#N)c1)c1ccccc1 177100622 UBZSQIABOLRPES-CYBMUJFWSA-N 296.395 3.528 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCC(C)(O)CC1 177469023 HCDDCKGUVPGOGR-HNNXBMFYSA-N 298.471 3.539 30 20 CHED N#CC1(C(=O)Nc2cccc(OC(F)F)c2)CCCCC1 57388657 HCZWKPXHFHHANS-UHFFFAOYSA-N 294.301 3.701 30 20 CHED C=C(Br)CN(C)Cc1nc2ccccc2s1 52440852 ZRQCNYWMAACTED-UHFFFAOYSA-N 297.221 3.637 30 20 CHED C=CCCC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 116136933 NVPYNBIHCIXSCP-CQSZACIVSA-N 295.835 3.923 30 20 CHED CCc1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1 22397770 SWVOCBZHXYOKKN-UHFFFAOYSA-N 278.355 3.692 30 20 CHED N#CCc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 102952359 IJHWEBBRWAWNNV-INIZCTEOSA-N 283.375 3.549 30 20 CHED C=C(C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 119656912 YHUDPMGPHCNABK-UHFFFAOYSA-N 272.304 3.521 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2C)C1 178549600 UBNXTKWWKDZDIM-AWEZNQCLSA-N 285.391 3.911 30 20 CHED N#Cc1ccc(NCc2ccnc(OC3CCCC3)c2)cc1 301074150 ICYNVQZYKDSRSW-UHFFFAOYSA-N 293.370 3.887 30 20 CHED CCc1ccc([C@H](CO)N[C@@H](C)c2ccc(C#N)cc2)cc1 305766250 FGKXAFWLYFKGAG-LIRRHRJNSA-N 294.398 3.505 30 20 CHED C[C@H](CSc1ccccc1)C(=O)Nc1ccccc1C#N 110162376 SXUWOBUOPSCZKQ-CYBMUJFWSA-N 296.395 3.925 30 20 CHED CCc1ccc(N/C(N)=N/Cc2ccccc2CC)cc1 304752532 KHWCAWZFUJIZGP-UHFFFAOYSA-N 281.403 3.738 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C/c1cccc(F)c1 178386231 ABFVZWCALSUEAZ-CMDGGOBGSA-N 280.302 3.658 30 20 CHED CC(C)c1cccc(NC(=O)COc2cccc(C#N)c2)c1 24779254 HJSGHLXKGJXDPU-UHFFFAOYSA-N 294.354 3.699 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc(Cl)ccc1F 178626717 SCKNSWXHGZIFHW-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCC(CC)(CCO)CN[C@@H](C)c1ccc(C#N)c(F)c1 305811861 JHXSFNGYLPORMQ-ZDUSSCGKSA-N 292.398 3.537 30 20 CHED C=C[C@H](CC(=O)NCCC1CCC1)c1ccccc1 125199017 MZDVKUOZXIEOCA-OAHLLOKOSA-N 257.377 3.653 30 20 CHED C=CCC[C@@H](NCCc1csc(CC)n1)C1CC1 120857245 DKAPUNNBXDIPGJ-CQSZACIVSA-N 264.438 3.582 30 20 CHED C=CCCSc1nnc(-c2ccc(Cl)cc2)n1C 128518225 JCVFVGLMYQXRFZ-UHFFFAOYSA-N 279.796 3.804 30 20 CHED Cc1cccc(C)c1/C=C/C(=O)c1c(C)nn(C)c1C 179327115 JQUQLJTWCLZTKI-MDZDMXLPSA-N 268.360 3.550 30 20 CHED C[C@@]1(C(=O)O[C@H](CC#N)c2ccco2)C[C@H]2CC[C@H]1C2 1347949580 ZBLXDXAJECVHIW-CAVOSLQRSA-N 273.332 3.604 30 20 CHED CCc1c(C)sc(NC(=O)CCc2ccco2)c1C#N 68677971 UNMSDKOZOYWHHV-UHFFFAOYSA-N 288.372 3.655 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccc(C)cc2)c1 302038992 QQIPHUWKYRJBBX-UHFFFAOYSA-N 264.328 3.681 30 20 CHED CC[C@@H](Nc1ccc(Cl)c(C#N)n1)c1c(C)noc1C 301823330 LCOMLPCOSNMTKM-LLVKDONJSA-N 290.754 3.775 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc2ccccc2n1 189900238 GEDCRCQXUKKZMN-UHFFFAOYSA-N 295.386 3.779 30 20 CHED Cc1cc(C#N)ccc1CSCC(=O)C(C)(C)C 186286679 WXQTVEQNFOZABU-UHFFFAOYSA-N 261.390 3.715 30 20 CHED C=CCC[C@@H](NCc1ncc(C)o1)c1ccccc1 180043985 GMRGNXVJHITPFG-OAHLLOKOSA-N 256.349 3.780 30 20 CHED CC(C)C[C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N 184297529 PYABQMHFRMAZBJ-STQMWFEESA-N 289.379 3.534 30 20 CHED O=S(=O)(/N=C(\O)C1CCCCCCC1)c1ccccc1 76755544 DZONAWXMINBFFE-UHFFFAOYSA-N 295.404 3.692 30 20 CHED CC[C@H](CNc1nc(C)ccc1C#N)c1ccccc1 500255659 XCBCIIROYFBDKC-CQSZACIVSA-N 265.360 3.867 30 20 CHED C[C@@H]1CCCCN(Cc2cccc(OCCCC#N)c2)C1 187517535 OUVHMKHBQNNNOS-MRXNPFEDSA-N 286.419 3.991 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@H]2CCC[C@@H](C)C2)cc1 180044149 IHGAFFKWBOGVNN-VYDXJSESSA-N 286.419 3.988 30 20 CHED C=CCOc1cccc(CN(C)Cc2ccc(OC)cc2)c1 505775708 DSMINXFUMLSFMG-UHFFFAOYSA-N 297.398 3.892 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1ccc(F)cc1F 503586152 IEGQQNNSLMUFFG-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C=C[C@H](Cc1nc([C@H](N)CC(C)C)no1)c1ccccc1 414616854 KLLDMPQQPUYIEX-UKRRQHHQSA-N 285.391 3.628 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 504573171 RNTOQOSFJANPCB-HRCADAONSA-N 261.409 3.794 30 20 CHED CCCCCS[C@@H]1CCN(c2sccc2C#N)C1=O 180735516 GUKFQXMEDJGFPG-GFCCVEGCSA-N 294.445 3.648 30 20 CHED CC[C@H](C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187293908 KHBMSNGZLUMWFX-FUJMWEONSA-N 264.413 3.647 30 20 CHED Cc1ccc([C@@]2(C)CCN(c3ncc(C#N)cc3F)C2)cc1 413259974 DVYODMIHLNVSOL-SFHVURJKSA-N 295.361 3.569 30 20 CHED CCCN(CC#N)C(=O)C[C@H](C)c1ccc(CC)cc1 78082806 NMOABRQRDYLFJE-AWEZNQCLSA-N 272.392 3.505 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2cc(F)cc(F)c2)cn1 121143919 ARAKTLLCCSXBRO-ONEGZZNKSA-N 276.286 3.638 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(OC(F)F)c1 123844154 UJNZKKDAUINRIO-UHFFFAOYSA-N 281.302 3.995 30 20 CHED C=CCCC(=O)Nc1ccc(Cl)cc1OC(F)F 186005568 SBQDNIRDAMKWOP-UHFFFAOYSA-N 275.682 3.846 30 20 CHED CC(C)(C#N)CCN1CCO[C@H](c2ccc(Cl)s2)C1 375829587 GZAVIJGMSOEOFM-NSHDSACASA-N 298.839 3.715 30 20 CHED N#Cc1ccccc1CN1C[C@@H]2CCC(=O)c3cccc1c32 184779508 WMUOVEWZXSKWOX-HNNXBMFYSA-N 288.350 3.639 30 20 CHED CC(C)Cc1ccc(/C=C/C(=O)c2cnccn2)cc1 126471722 UZWPZNWUAJTTKO-BQYQJAHWSA-N 266.344 3.571 30 20 CHED CC#CCCCC(=O)O[C@@H](c1ccccc1)c1nccs1 186116032 XTBVTYBZCDFBGW-INIZCTEOSA-N 299.395 3.969 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCc2c[nH]c3ccccc23)C1 185817241 QSOPPBQQWYDICF-GDBMZVCRSA-N 281.403 3.772 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CCC2 37748351 UFQGWRIUFDSTRU-AWEZNQCLSA-N 276.383 3.898 30 20 CHED CSCc1cccc(CNCc2cccc(C#N)c2)c1 189474498 OECBHLJFQNKLAE-UHFFFAOYSA-N 282.412 3.711 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)[C@H]2CCCC[C@@H]21 182945851 SCOCAWLDCREQEZ-XKQJLSEDSA-N 297.402 3.795 30 20 CHED CC(C)[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 505832855 NGEDJOPIVPFRFM-CJNGLKHVSA-N 286.419 3.957 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1c(C)oc2ccccc12 410832893 FFMATPOUMGKXDF-LBPRGKRZSA-N 270.332 3.506 30 20 CHED C=C(C)[C@H](NC(=O)C=C1CCC1)c1ccc(F)c(F)c1 186053748 TXIMIEKTVTVNOF-INIZCTEOSA-N 277.314 3.809 30 20 CHED Cc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)c(C)c1 75270096 JICZTSGUZCZRBM-CQSZACIVSA-N 278.355 3.666 30 20 CHED C=CCC[C@@H](C(=O)NC[C@@H](C)CCOC)c1ccccc1 412488613 RPBJNIJTPOBKBY-DOTOQJQBSA-N 289.419 3.525 30 20 CHED C=CCC[C@H](C(=O)NC[C@H]1CC12CC2)c1ccccc1 416041443 DKACEUGBOGNGMG-CVEARBPZSA-N 269.388 3.653 30 20 CHED C[C@H](NC[C@@]1(N(C)C)CCC[C@@H](C)C1)c1cccc(C#N)c1 314917605 MQZULGGJAKFLCX-JTDSTZFVSA-N 299.462 3.719 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCO[C@@H](CCC)C1 180686231 WSPAUZGSOFGVDJ-HOTGVXAUSA-N 281.440 3.787 30 20 CHED C[C@@H](OC(=O)c1coc2ccccc12)C(C)(C)C#N 130577125 IDMDPJKBPBNDOZ-SNVBAGLBSA-N 257.289 3.528 30 20 CHED C[C@H](Nc1c(C#N)nnc2ccccc12)c1ccc(C#N)cc1 76324100 VQVQZEGKROYYGT-LBPRGKRZSA-N 299.337 3.546 30 20 CHED Cc1sc([C@@H](C)NCC#N)nc1-c1ccc(Cl)cc1 184948227 WCSDSPXYEKLGLF-SECBINFHSA-N 291.807 3.946 30 20 CHED C[C@@H]1CC=C(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 416342139 YZJANKILIREBEU-ACJLOTCBSA-N 294.398 3.798 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2scnc2C2CCCC2)C1 185312854 CCGIAZXIFYFCOR-CMPLNLGQSA-N 290.388 3.650 30 20 CHED C=C(C)[C@@H](NC(=O)c1occc1C)c1ccc(F)c(F)c1 186042522 ICGWPDSCTURWDS-CQSZACIVSA-N 291.297 3.913 30 20 CHED Cc1ccccc1S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C 48835159 ACLRTDRLGWOQMT-BBRMVZONSA-N 290.432 3.530 30 20 CHED CCCCCCNC(=O)N[C@@H](CCC#N)c1ccccc1 131482608 JEZYXSDBALCLBF-INIZCTEOSA-N 287.407 3.911 30 20 CHED C=CCSCCNC(=O)N[C@@H](C)c1cc(C)cc(C)c1 502240590 GEMZIYLLJCHTNT-AWEZNQCLSA-N 292.448 3.583 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CS[C@@H](C)C1)c1ccccc1 412578402 CGMUPHNYXZPBJY-BPUTZDHNSA-N 289.444 3.747 30 20 CHED C=C(C)COC(=O)c1ccc(N(C)c2ccccc2)nc1 195597996 RHODVQUQXLJFCY-UHFFFAOYSA-N 282.343 3.582 30 20 CHED CCN(C)c1ccc(/C=C/C(=O)c2ccc(C)s2)cn1 191249112 RHAFIUHAPCUIFG-SOFGYWHQSA-N 286.400 3.804 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)c(F)c1 44766479 JWKFOHAIGCVPHX-UHFFFAOYSA-N 268.719 3.748 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Cc1cccc(F)c1 45934874 QAEGAIYWZPONJP-UHFFFAOYSA-N 283.346 3.583 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2CCc3cccnc32)CCCC1(C)C 425267853 NHTSVPACTYRFEY-JKSUJKDBSA-N 298.430 3.705 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 44469951 RJXNZLNEJWHLOE-RYUDHWBXSA-N 275.314 3.556 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)O[C@@H](C#N)C3CC3)oc12 80395505 BURGBLCNUZATRY-ZDUSSCGKSA-N 283.327 3.817 30 20 CHED COc1ccc(NCCC(C)(C)C#N)cc1Cl 87590856 RWGLQOWOLZPNDL-UHFFFAOYSA-N 252.745 3.700 30 20 CHED C=C1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 517799579 INMDVLCLPCGQPW-LBPRGKRZSA-N 275.417 3.665 30 20 CHED C=C[C@H](CC(=O)N(CC(F)F)C1CC1)c1ccccc1 131344904 CFAFWBVKPPUGOF-GFCCVEGCSA-N 279.330 3.602 30 20 CHED CCC1(C/N=C(/O)c2coc(C3CCCC3)n2)CC1 328767961 BMVWNJBZYNVMPY-UHFFFAOYSA-N 262.353 3.827 30 20 CHED C=C(C)CCN[C@H](c1ccc(OC)cc1F)C1CC1 421853463 JJDVINLTLOPCOY-INIZCTEOSA-N 263.356 3.841 30 20 CHED N#CCc1ccc(NCc2nccn2-c2ccccc2)cc1 190815291 DFTGHSPRXWJKFL-UHFFFAOYSA-N 288.354 3.550 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(Cl)s1 190682890 ADQWFVFEIHAACJ-ZDUSSCGKSA-N 271.813 3.663 30 20 CHED CCn1c(-c2ccc(OCC#N)cc2)nc2ccc(C)cc21 190335828 OGJANJMGMXFIIU-UHFFFAOYSA-N 291.354 3.934 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NCC1(c2ccccc2)CCCCC1 514709702 MCBDKCBKTFCRSP-DNVCBOLYSA-N 296.414 3.554 30 20 CHED Cc1cccc2c1CN([C@H](C)c1cccc(C#N)c1)CC2 429568613 QAFLPUSRENRUEE-OAHLLOKOSA-N 276.383 3.986 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NC[C@@H](C#N)CCC#N 516452856 BOECJUYRORNONM-HZPDHXFCSA-N 283.419 3.776 30 20 CHED CCSc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 426318610 ROXXZCVGTMBWGW-DZGCQCFKSA-N 274.433 3.971 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)[C@H]1COc2ccccc21 336209901 MMIQZTZVUJMBAV-GEMJLEDKSA-N 284.403 3.613 30 20 CHED N#Cc1ccccc1CN1CC[C@H](c2ccccc2F)C1 337498424 KEUMPUHJHVMNFP-INIZCTEOSA-N 280.346 3.687 30 20 CHED CC(C)CN(C(=O)CSc1ccc(C#N)cc1)C(C)C 339641197 AXHZXWAHYOEGAX-UHFFFAOYSA-N 290.432 3.543 30 20 CHED Cc1c(N[C@@H]2CCC[C@H](C#N)C2)cnn1C1CCCC1 193385735 WPLYMOUZIXOOMZ-UONOGXRCSA-N 272.396 3.801 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)c1 336510884 QWPULYYXFZRUKA-AWEZNQCLSA-N 278.355 3.917 30 20 CHED C=CCC1(C(=O)N=c2cc(C)n(C(C)C)[nH]2)CCCCC1 421732676 ROPUZBVOVUADAA-UHFFFAOYSA-N 289.423 3.659 30 20 CHED CCOc1cc(CNc2ccc(CC#N)cc2)ccc1OC 237033987 NVXMMZWHDVULHD-UHFFFAOYSA-N 296.370 3.772 30 20 CHED Cc1ccc2c(CN(CC#N)C3CCCC3)ccc(O)c2n1 338303228 DFSSJPBBEZUKOU-UHFFFAOYSA-N 295.386 3.517 30 20 CHED N#C[C@H]1CC[C@H](NC2(c3cccc(Cl)c3)CC2)C1 335880804 YNIAXHOMAKJIAD-FZMZJTMJSA-N 260.768 3.611 30 20 CHED COc1ccc2c(OCc3cccc(C#N)c3)ccnc2c1 92315734 SXOUBZZFOHFGAU-UHFFFAOYSA-N 290.322 3.694 30 20 CHED CC[C@@H](SC)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 91207188 WPYPOTKJNRDSQD-CYBMUJFWSA-N 296.823 3.706 30 20 CHED C[C@H]1CCC[C@@H](CNc2nc(Cl)c(C#N)s2)C1 235638960 LRDMZFQIBRNPNN-DTWKUNHWSA-N 269.801 3.906 30 20 CHED CCC(CC)CN(CCC#N)c1cc(C(C)C)ncn1 339058510 QFYKROLXRGQRKO-UHFFFAOYSA-N 274.412 3.756 30 20 CHED CCc1ccc(CN(C)C(=O)c2cccc(C#N)c2C)cc1 337737744 BIYPMEWGZASDHI-UHFFFAOYSA-N 292.382 3.701 30 20 CHED C[C@@H]1CCC[C@H](N(C)/C(O)=N/CCc2cccc(C#N)c2)C1 330991800 UBXGSGNRMRINAK-PBHICJAKSA-N 299.418 3.525 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc(-n2cccn2)c1 93100788 KHHGIZRSBZBXBA-UHFFFAOYSA-N 296.418 3.634 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)c1nc2ccccc2[nH]1 339133422 AAVDDHFSUVBQNM-SECBINFHSA-N 297.749 3.656 30 20 CHED CCC[C@@H](C#N)NC(=O)C1(c2cccs2)CCCCC1 91968016 BFKYAYZUEWIGIF-ZDUSSCGKSA-N 290.432 3.758 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C 249046609 FHFUXOFNFSGLGV-QGPMSJSTSA-N 271.404 3.993 30 20 CHED N#CCc1ccc(Cn2ccc(-c3ccsc3)n2)cc1 342475422 HBJGFKWKARLVMG-UHFFFAOYSA-N 279.368 3.726 30 20 CHED CCC1CCN(C(=O)c2cccc(SCC#N)c2)CC1 430699441 ICYRSTPBELEHGO-UHFFFAOYSA-N 288.416 3.564 30 20 CHED Cc1ccnc(NCc2nc(C(C)C)c(C)s2)c1C#N 343468947 AUCOOVDCPUQSIN-UHFFFAOYSA-N 286.404 3.762 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccn1 245959913 XITHCBFKILDRGN-QXSJWSMHSA-N 282.387 3.864 30 20 CHED C[C@H](C#N)CN(C)[C@H]1CC[C@](C)(c2ccccc2)C1 437596530 YXQUSVHONXGTNS-PVAVHDDUSA-N 256.393 3.588 30 20 CHED N#CCC[C@H](NC(=O)c1ccc(Cl)cn1)c1ccccc1 439661840 IEZHSIFMKHDPES-AWEZNQCLSA-N 299.761 3.510 30 20 CHED CCN(C(=O)[C@@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 347035115 KFNWSKOVKZPSON-QWRGUYRKSA-N 298.308 3.775 30 20 CHED Cc1nsc(NCc2coc(-c3ccccc3)n2)c1C#N 342265790 AGQJRMGZHMVTJQ-UHFFFAOYSA-N 296.355 3.590 30 20 CHED CC[C@@H](C)CCC(=O)N(CC)c1ccc(C#N)cc1 342380790 MSLQBDPSBSHKKL-CYBMUJFWSA-N 258.365 3.737 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc2cc(F)ccc2o1 435752230 WVTWAQNKMMWVEX-YVEFUNNKSA-N 289.350 3.643 30 20 CHED C[C@H](C1CC1)N(C(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 433313239 PMFPPTLXGCEWSF-RHSMWYFYSA-N 296.414 3.548 30 20 CHED C=C(C)COc1cc(CN[C@@H]2CC2(C)C)ccc1OC 340420666 YQKLKOZOQMEAMK-MRXNPFEDSA-N 275.392 3.538 30 20 CHED C=CCCC[C@@H](C)NCCC(=O)Nc1cccc(F)c1C 521228157 NLCHJJDPYPUBKN-CYBMUJFWSA-N 292.398 3.797 30 20 CHED N#CC1(CN2CCCc3cc(Br)ccc32)CC1 538353424 GFSKSIQYIBQCEZ-UHFFFAOYSA-N 291.192 3.505 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CC=CCC1 520113452 ILNWQNJEMMDDFF-SFHVURJKSA-N 298.430 3.783 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H](c2nc3ccccc3o2)C1 602437209 FOZJVOCDAMVKFR-CABCVRRESA-N 297.402 3.947 30 20 CHED CCCCCc1nnc(NC(=O)C(C#N)(CC)CC)s1 528133910 DAYTVVWICSGDQJ-UHFFFAOYSA-N 294.424 3.539 30 20 CHED Cc1ccc(C#N)cc1OCc1nc(C2CC2)cs1 342485484 VLYVBDXYYKVYQA-UHFFFAOYSA-N 270.357 3.780 30 20 CHED C=C(Br)CN(C)[C@@H](C)c1ccccc1F 52441896 VRNOUGDWZYDOEQ-JTQLQIEISA-N 272.161 3.727 30 20 CHED Cc1ccc(C[S@](=O)Cc2ccc(CC#N)cc2)cc1C 342147808 ZJJQWKXLIRETLP-OAQYLSRUSA-N 297.423 3.818 30 20 CHED C=C(CNC(=O)c1cnc(CCC)s1)c1ccccc1 345830624 CVNSYENRIVSDFN-UHFFFAOYSA-N 286.400 3.539 30 20 CHED N#Cc1cccc(N2CCC(Cc3ccc(F)cc3)CC2)n1 609892421 FQZGMAFPMNVKMT-UHFFFAOYSA-N 295.361 3.551 30 20 CHED COc1ccc(O)c(C=Nc2ccc3ncsc3c2)c1 255176395 VKEXSJRXEWSTSA-UHFFFAOYSA-N 284.340 3.761 30 20 CHED Cc1cc(CSCc2nc(C(C)C)no2)ccc1C#N 447414225 QVWSSNSOYKGFIN-UHFFFAOYSA-N 287.388 3.807 30 20 CHED C=CCNC(=O)c1ccccc1NCc1c(C)cccc1C 606429149 ZDZYCJQZWIKYHX-UHFFFAOYSA-N 294.398 3.831 30 20 CHED C=CCC1(C(=O)NCCc2cccc(F)c2)CCCC1 449112302 QNCDBCZTLWBLSK-UHFFFAOYSA-N 275.367 3.621 30 20 CHED C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(C#N)cc1 538507224 OMWBWTHHXUQQHG-STQMWFEESA-N 293.345 3.981 30 20 CHED C=CCCOCC(=O)N[C@@H](c1ccccc1Cl)C(C)C 604234635 XPQLJOQZTUSDNJ-MRXNPFEDSA-N 295.810 3.746 30 20 CHED CC(C)N(Cc1ccc(F)cc1C#N)CC1CCC1 444769224 AFAUEGSXEVRZSJ-UHFFFAOYSA-N 260.356 3.708 30 20 CHED Cc1cccc(O[C@@H](C)CN[C@H](C)c2cccc(C#N)c2)c1 537292772 OCEHOCBPAKIJHI-JKSUJKDBSA-N 294.398 3.985 30 20 CHED CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cc(C#N)cs1 355204746 HXJNNRQIRHQYJN-GJZGRUSLSA-N 292.448 3.645 30 20 CHED C=CCN(Cc1ncc(-c2cccs2)o1)C1CC1 357551600 JVCLGZVKLGEGMN-UHFFFAOYSA-N 260.362 3.554 30 20 CHED C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCC#N 441064762 JGIPDDORMCRILI-OXJNMPFZSA-N 290.410 3.979 30 20 CHED CCS[C@H]1CCCCN(Cc2cccc(C#N)c2)C1 353602856 FIUXZUUYBWDNNV-INIZCTEOSA-N 274.433 3.666 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2-c2cccs2)[nH]1 443486449 PFICTLMJGNDFFU-UHFFFAOYSA-N 293.351 3.867 30 20 CHED N#Cc1cccc(CN2CC[C@@H](Cc3ccccc3)C2)c1F 538150558 PMXCISDWHQQUGP-INIZCTEOSA-N 294.373 3.762 30 20 CHED Cc1cc(C(F)(F)F)ccc1C(=O)N[C@](C)(C#N)C(C)C 448843870 KPQINAATZCUCEQ-CQSZACIVSA-N 298.308 3.682 30 20 CHED C=CCSCCNC(=O)N(Cc1cccs1)C(C)C 263711064 KDRCNZICYJAQIF-UHFFFAOYSA-N 298.477 3.587 30 20 CHED CCOc1ccccc1NC(=O)Nc1ccc(C#N)c(F)c1 353564250 VDIULWYIEOCSAP-UHFFFAOYSA-N 299.305 3.740 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1coc2ccccc12 449244497 SYIYOPALBIVGAK-GXTWGEPZSA-N 256.349 3.646 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)c1ccc(Cl)cc1Cl 448577891 DUAFAUQLUPMMHH-UINNMSKDSA-N 297.185 3.720 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)cc(C)c1O 443063881 NYKUVHUAKXWLKC-CQSZACIVSA-N 267.756 3.895 30 20 CHED C=CCCCCCN(C)[C@H](C)C(=O)N(C(C)C)C(C)C 532968720 MROQXWVPIXGOHN-MRXNPFEDSA-N 282.472 3.699 30 20 CHED CO[C@]1(C)CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 359713355 IJTFVDUUJUPJSZ-CQSZACIVSA-N 298.308 3.582 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)N(CCC#N)CC1CC1 444985854 LXLHTFRZNDXSFI-UHFFFAOYSA-N 296.374 3.634 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(F)c(C)cc2F)C1 617782788 MLVJCERFIXXLNE-LBPRGKRZSA-N 279.330 3.702 30 20 CHED C=CCN(C(=O)c1cccc(OCC(C)C)c1)C1CC1 357508126 DKWAGXKGCLAVPZ-UHFFFAOYSA-N 273.376 3.512 30 20 CHED Cc1cc(NC(=O)Nc2ccc(F)c(C#N)c2)c(C)cc1O 444895890 LAQJTJVARQKIBW-UHFFFAOYSA-N 299.305 3.664 30 20 CHED COCC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 611389378 VAKSTKFVRFDFBW-KXBFYZLASA-N 294.398 3.987 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(C)Cc1cccc(C#N)c1 534870865 LOJGOFUKXQFMNL-CYBMUJFWSA-N 272.392 3.589 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)c2cccc(F)c2)c1 355391686 JIPPBHWSDWBASU-UHFFFAOYSA-N 295.317 3.524 30 20 CHED Cc1ccc(C(=O)C2CCN(CC3(C#N)CC3)CC2)c(C)c1 539461200 ZOBPXQHOSXSSFP-UHFFFAOYSA-N 296.414 3.502 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCC1CCCC1 611391237 GLHMKRLPUVCOES-QGZVFWFLSA-N 254.377 3.715 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 539368888 WHOZSUBCXGXZDS-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@H]1CC[C@@H](C)N1c1nc(C(C)(C)C)ccc1C#N 613429496 MBQXKYMQYLHGOE-TXEJJXNPSA-N 257.381 3.628 30 20 CHED CC(C)c1cnc(SCc2ccc(C#N)cc2F)n1C 267067429 RVZUHFBJWGOMSI-UHFFFAOYSA-N 289.379 3.847 30 20 CHED C=C(CC)CN1CCC(CCN(CC)CC2CC2)CC1 537995294 LBTUYWJJFQHXBK-UHFFFAOYSA-N 278.484 3.787 30 20 CHED C=CC(C)(C)c1nc(C2(c3ccccc3)CCOCC2)no1 453183221 OBKUCWSPQQHREG-UHFFFAOYSA-N 298.386 3.630 30 20 CHED C=CCC1(c2nc(-c3ccccn3)no2)CCCCC1 453015655 HTATYMRDLLDGJL-UHFFFAOYSA-N 269.348 3.910 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC(C)C)c1cccs1 539295204 LSFQUNORUKWKPB-KBPBESRZSA-N 267.438 3.610 30 20 CHED CC(C)(C#N)CCN1CC2(CCC2)c2ccccc21 616790196 NHGRQEOCHGEEGU-UHFFFAOYSA-N 254.377 3.868 30 20 CHED C=CCC1(C(=O)NCCc2ccc3[nH]ccc3c2)CCCC1 451461147 RYUNRUIUCJBDPH-UHFFFAOYSA-N 296.414 3.963 30 20 CHED C=C(CC)CSc1nnc(-c2ccccc2C)n1C 539111635 IBMRDGRETIDHKA-UHFFFAOYSA-N 273.405 3.849 30 20 CHED C=CCN(C(=O)NCc1c(Cl)cccc1Cl)C1CC1 537908911 HQIDONATEXWOAQ-UHFFFAOYSA-N 299.201 3.853 30 20 CHED C=C(C)CCNC(=O)NCc1ccc(C(C)(F)F)cc1 454991716 DDYBXCNJPXQPJF-UHFFFAOYSA-N 282.334 3.564 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1occc1C 614242518 VPKIWADHOPUJHK-UHFFFAOYSA-N 283.371 3.735 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc2cnccc12 362632058 XEEAAYSGNWOQKJ-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CCCCCCCCC(=O)N1CCCC12CCN(C)CC2 367346507 MFEFYFKMERBBFI-UHFFFAOYSA-N 294.483 3.824 30 20 CHED N#Cc1ccc(NCCc2ccc(F)c(F)c2F)cc1 541276975 CWOADJJYVQVNBF-UHFFFAOYSA-N 276.261 3.630 30 20 CHED CC(C)(C#N)CC(=O)Oc1ccc(Cl)c(Cl)c1 278195194 GLULSGPLUROCEL-UHFFFAOYSA-N 272.131 3.839 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 276902554 JEZLKYQDVOSJGX-YOEHRIQHSA-N 275.367 3.744 30 20 CHED C=CCC1(C(=O)N[C@@H](C2CC2)C(F)(F)F)CCCC1 452126737 RCFXOHUZNGPKFB-NSHDSACASA-N 275.314 3.580 30 20 CHED C=CCn1cccc1C(=O)Nc1scnc1C(C)C 456444365 VZQMTYZIOVZUKP-UHFFFAOYSA-N 275.377 3.506 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccc(CC)cc1)C1CC1 540135033 TWXVYBDNMGTFBF-CQSZACIVSA-N 271.404 3.920 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(-n2nccc2C)cc1 620864218 WKXJYJKUPKVGPN-UHFFFAOYSA-N 297.402 3.655 30 20 CHED Cc1oc(-c2ccccc2)nc1CN1CCC(CC#N)CC1 542882311 XSKWTQCCURWXAP-UHFFFAOYSA-N 295.386 3.776 30 20 CHED C=CCCOCC(=O)N[C@H](C)c1oc2ccccc2c1C 620197800 FNEYIOIUYUPKGX-CYBMUJFWSA-N 287.359 3.511 30 20 CHED CCN(C(=O)NCCCC#N)[C@H](C)c1cc2ccccc2o1 273600795 ROAVMKHVHIPQHF-CYBMUJFWSA-N 299.374 3.829 30 20 CHED CC(C)(C)C(C)(C)NC(=O)Nc1cnc(C#N)c(Cl)c1 455763052 OXEBKRKOZKUMKE-UHFFFAOYSA-N 294.786 3.553 30 20 CHED C=CCN(C(=O)c1ccc(Cl)cc1)C(C)(C)C 622942708 YANLUZSTGKDOQC-UHFFFAOYSA-N 251.757 3.767 30 20 CHED C[C@H](NCCCC#N)c1ccc(OC(C)(C)C)cc1 274325264 YJJDXTKKFVVGCS-ZDUSSCGKSA-N 260.381 3.818 30 20 CHED CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccncc1 271928937 HFSMWRUQUFSBEM-PXAZEXFGSA-N 283.350 3.894 30 20 CHED CCN(CC#N)CC1CCC(c2ccccc2)CC1 547738637 QBNMNYGPEZCGLE-UHFFFAOYSA-N 256.393 3.806 30 20 CHED C=C(C)[C@H](NCCCCCCO)c1ccc(F)c(F)c1 274860156 HVKSMCXAPYPLGU-INIZCTEOSA-N 283.362 3.724 30 20 CHED N#Cc1cccc(OCCNc2ccc(F)c(Cl)c2)c1 462214802 XWLZRRBDSLBTDX-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 464754797 HSACYNIVYSMZQR-BHYGNILZSA-N 286.419 3.929 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1 270190229 ADYNFOZKYXDBLP-INIZCTEOSA-N 296.395 3.791 30 20 CHED C=C(CC)CN1CCC[C@H]1c1cccc(N(C)C)c1 540203890 DIPDVEVFXXKIBK-KRWDZBQOSA-N 258.409 3.856 30 20 CHED C=CCC[C@@H](NCc1ncccc1N(C)C)c1ccco1 289572086 AZHLMGYYSNGPEE-CQSZACIVSA-N 285.391 3.538 30 20 CHED C[C@H](C(=O)N1CCC[C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 462330495 DDASBLZDSFOMDH-WMLDXEAASA-N 298.430 3.946 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H]2CCC[C@@H](OC)C2)n1 551497906 ZQFYIYIFZVUQLJ-CHWSQXEVSA-N 278.396 3.671 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C)oc1C 280713361 DTMHLBDJQKPWEE-INWMFGNUSA-N 263.381 3.528 30 20 CHED Cc1csc(NC(=O)C[C@H]2CC[C@@H](C)C2)c1C#N 288896671 SNUPOPDIWUXNPI-KOLCDFICSA-N 262.378 3.693 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 289109115 DWICCBFIMKPUSA-ZDUSSCGKSA-N 284.281 3.892 30 20 CHED C=C(C)Cn1c(N2CC[C@@H](C)[C@@H]2CC)nnc1C(C)(C)C 460551313 IWHSUWJSDBOFJV-KGLIPLIRSA-N 290.455 3.777 30 20 CHED C=C(C)CCc1noc([C@@H]2CCCC(F)(F)C2)n1 289324716 YXEGVCZVPFRXMM-SNVBAGLBSA-N 256.296 3.871 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)NCc1ccc(C#N)cc1 282415249 LJCUKDJKJJWOQY-AWEZNQCLSA-N 299.418 3.668 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1c1ccnc(C#N)c1 553562468 PUACMKPLVWXUFL-GDBMZVCRSA-N 277.371 3.726 30 20 CHED C=CCOc1cccc(CNc2ccc3c[nH]nc3c2)c1 630069479 FGYUONAODZFBDQ-UHFFFAOYSA-N 279.343 3.740 30 20 CHED CC(C)c1[nH]ccc1C(=O)O[C@H](C#N)C1CCCCC1 803779963 SRELCTKTPAKFHJ-CQSZACIVSA-N 274.364 3.767 30 20 CHED C#C[C@H](C)NC(=O)Nc1cc(-c2ccc(C)o2)ccc1C 806500770 LWNYGONTSZDJMD-LBPRGKRZSA-N 282.343 3.707 30 20 CHED C[C@@H](CCNC(=O)c1cccc(CC#N)c1)c1ccccc1 299570093 JTYADCKWQWIXTN-HNNXBMFYSA-N 292.382 3.676 30 20 CHED CC/C(C)=C/C(=O)N[C@H](CCC#N)c1ccccc1 295501335 KTPBUVLRICEJGJ-RDRICISKSA-N 256.349 3.504 30 20 CHED Cc1ccc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)cc1 806561346 UOQNGBDHIRLNPS-QXSWTLKVSA-N 292.334 3.833 30 20 CHED CC#CCN(C)C(=O)c1ccccc1Oc1cccc(C)c1 564752314 IWQWZRSHXMHVEC-UHFFFAOYSA-N 293.366 3.883 30 20 CHED C=CCCCCCCNC(=O)c1coc(C2CCC2)n1 805221168 MDBYCEKCQPIXQR-UHFFFAOYSA-N 276.380 3.808 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@@H]2Cc2ccccc2)c1 479132749 WOQRFELDCILHDW-QGZVFWFLSA-N 280.346 3.514 30 20 CHED CC(C)CSCCCNc1nc(Cl)c(C#N)s1 804579614 RTVFQLVOYXREJO-UHFFFAOYSA-N 289.857 3.859 30 20 CHED COc1ccc(CSCCO[C@@H](C)C#N)cc1Cl 801659685 OQYMWRWHAOTOTH-JTQLQIEISA-N 285.796 3.510 30 20 CHED C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 297932083 YPGSSSNQUFKRGE-GUYCJALGSA-N 269.344 3.765 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1OC1CCCC1 806215600 FFLGKNDGROEZDL-ZDUSSCGKSA-N 286.375 3.541 30 20 CHED CC[C@@H](C)OCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297738278 KMORHOBZWMUFBV-SNVBAGLBSA-N 294.420 3.671 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1SC(F)F 806152485 WOSNIEOVMNDJGJ-VIFPVBQESA-N 284.331 3.535 30 20 CHED C#C[C@@H](NC(=O)CCc1c[nH]c2c(C)cccc12)C(C)(C)C 807879284 TTZDERYUMGJBCW-MRXNPFEDSA-N 296.414 3.573 30 20 CHED C#CC[C@@H](NC(=O)c1cc[nH]c1C(C)C)c1ccccc1 802886984 TVHOJEMWPJXQTK-MRXNPFEDSA-N 280.371 3.633 30 20 CHED C#C[C@H](NC(=O)CC(C)(C)c1ccccc1)C(C)(C)C 807884315 YBOZXDAVAHGKEJ-HNNXBMFYSA-N 271.404 3.518 30 20 CHED C=CCn1c(CC)nnc1N1CCC[C@H]1c1cccc(C)c1 565567115 QAMLQRNREMGTJF-INIZCTEOSA-N 296.418 3.676 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C2CC[C@@H]2C2CCC2)o1 814822289 WGWIPYCJKBMQDN-LLVKDONJSA-N 286.379 3.822 30 20 CHED C=C(C)CCc1noc(-c2ccnc(OC3CCC3)c2)n1 560456323 IANKOUTZSZCWAD-UHFFFAOYSA-N 285.347 3.572 30 20 CHED C=CCN(C(=O)c1cnc2c(F)ccc(F)c2c1)C(C)C 815398768 VNCCXRUJRQYARP-UHFFFAOYSA-N 290.313 3.550 30 20 CHED C=CCC(F)(F)C(=O)NCC(C)(C)CCCCC 815776834 VKHKASXAKNTOTA-UHFFFAOYSA-N 261.356 3.921 30 20 CHED Cc1ccc2snc(C(=O)O[C@H](C)C(C)(C)C#N)c2c1 815993060 HKEUSOKREHZMAZ-SNVBAGLBSA-N 288.372 3.700 30 20 CHED CCn1cc(C=NOC/C=C/Cl)c2ccccc21 811670629 XFQNBNIJFOMXHP-LLDVEVIQSA-N 262.740 3.764 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(C#N)s1 489364806 RHWFRKMRXRNPHG-DGCLKSJQSA-N 276.405 3.661 30 20 CHED CC(C)[C@H](C)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813210986 BYMJCOOCLZAJFR-GXSJLCMTSA-N 284.281 3.569 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)c1ccc(F)cc1 488866376 WNDMJYBWQBCBMP-CJNGLKHVSA-N 275.367 3.886 30 20 CHED CC(C)OC1CC(=NNc2ncnc(Cl)c2C(C)C)C1 814922124 VMFLHXRXGRIHLP-UHFFFAOYSA-N 296.802 3.609 30 20 CHED CCC(=NNc1ccccc1C(=O)O)c1ccc(F)cc1 812441904 IQOUVNOKXWUUFH-UHFFFAOYSA-N 286.306 3.750 30 20 CHED N#Cc1ncccc1NCc1cc(Cl)cc(Cl)c1O 811847031 WFPLECCCQWRWCJ-UHFFFAOYSA-N 294.141 3.578 30 20 CHED CCCC(=NNc1ncnc2ccsc12)c1cccnc1 814880179 TZHXLPUTXSTXTD-UHFFFAOYSA-N 297.387 3.703 30 20 CHED Cc1ccc2cccc(NC(=O)c3ccc(C#N)s3)c2n1 487289202 PGTYQXYJNHDNJC-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C#Cc1cccc(NC(=O)c2ccc3c(c2)C(C)(C)CO3)c1 810013729 MBOWVYHXBATJPK-UHFFFAOYSA-N 291.350 3.590 30 20 CHED C1=C([C@@H]2CCCCC2=NNc2cnccn2)CCCC1 814797605 RSOZKKPZRLFUFC-AWEZNQCLSA-N 270.380 3.935 30 20 CHED CC(=NOCC1CC1)c1ccc(Br)cc1 814242138 VBLHFAVWPBTGAU-UHFFFAOYSA-N 268.154 3.600 30 20 CHED CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C 576389852 GPUOMQPLUGHYBG-HZPDHXFCSA-N 256.393 3.960 30 20 CHED Brc1ccc2c(c1)CCC2=NOCC1CC1 814941315 VKONNVOTQGCDOI-UHFFFAOYSA-N 280.165 3.526 30 20 CHED CCC(=NN[C@@H](C)c1ccccc1)c1cccc(N)c1 814814796 AHTDXCJWHCAJOZ-ZDUSSCGKSA-N 267.376 3.734 30 20 CHED Clc1cccc(Cl)c1C=NNC[C@H]1CCSC1 811660742 UAJJHYYMQUVUHB-SECBINFHSA-N 289.231 3.670 30 20 CHED Cc1nc(N2CC[C@H](c3ccccc3)[C@H](C)C2)ccc1C#N 488048713 KQHJLXNKQPNSMI-KDOFPFPSSA-N 291.398 3.892 30 20 CHED CC[C@H](NCC[C@@H](C)N1CCCCC1)c1ccc(C#N)cc1 571610341 AXZFKBFAXYKSHE-APWZRJJASA-N 299.462 3.863 30 20 CHED CC(C)CN(CCC#N)CCc1ccc(F)cc1Cl 811452934 BZGUTWYVCHSKCX-UHFFFAOYSA-N 282.790 3.893 30 20 CHED CCCCCCCCC(=O)N(C)CC(C)(C)C#N 817611094 BCCFSKNSDWRLOC-UHFFFAOYSA-N 252.402 3.745 30 20 CHED CCc1ccc([C@H](C)C(=O)OCc2ccc(C#N)cc2)cc1 727924805 XOJOMDRWIJECKI-AWEZNQCLSA-N 293.366 3.968 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cccc2cccnc12 818198355 QNFFUAKXVXUNKV-UHFFFAOYSA-N 292.298 3.589 30 20 CHED Cc1ccccc1O[C@@H]1CCCC[C@H]1NCC1(C#N)CC1 484636586 BVSSFJQALOIUDW-NVXWUHKLSA-N 284.403 3.578 30 20 CHED CC(=NNCCCc1ccccc1)c1ccccc1C 729147741 GIQJFROCZQBAPY-UHFFFAOYSA-N 266.388 3.941 30 20 CHED CC(C(=O)N(Cc1ccc(C#N)cc1)C1CC1)=C1CCC1 824660575 GSQKLYULTBAOFK-UHFFFAOYSA-N 280.371 3.550 30 20 CHED C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H]1C 579530548 DWCLLDHNURZUMR-CQSZACIVSA-N 296.418 3.682 30 20 CHED CSCCON=Cc1cccc(Cl)c1Cl 727484547 MYFYMOOECFQAKT-UHFFFAOYSA-N 264.177 3.707 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 571851984 XAVRDCQYPSHPHO-CYBMUJFWSA-N 299.418 3.627 30 20 CHED Cc1cc(C(=O)/C=C\c2c(F)cccc2F)ccc1O 728230683 FEHYQCAGGLUVQU-VURMDHGXSA-N 274.266 3.875 30 20 CHED C=CCOc1ccccc1C(=O)N(C)Cc1ccccc1C 493460020 JHDLXQXCHCCGTM-UHFFFAOYSA-N 295.382 3.832 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)CSc2ccc(C#N)cc2)C1 728455496 SIRWARVJIFCPMC-TZMCWYRMSA-N 289.400 3.772 30 20 CHED Cc1csc(NC(=O)C[C@H]2CCc3ccccc32)c1C#N 589034851 QVTXCJQFLAVRLH-CYBMUJFWSA-N 296.395 3.987 30 20 CHED CC(C)C#CC(=O)N(Cc1ccco1)Cc1cccs1 821714829 YXWLIVDGJGBKPA-UHFFFAOYSA-N 287.384 3.529 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cncn1C(C)C)CC2 901486305 AQHMAYBXRLRQHW-OQLLNIDSSA-N 280.371 3.985 30 20 CHED CC(C)CN(C(=O)c1ccccc1)c1ccc(C#N)cc1 499316002 ICNFTNNXCPRVGH-UHFFFAOYSA-N 278.355 3.861 30 20 CHED N#CC1(CCCCOC(=O)c2ccc3c(c2)COC3)CCC1 908963422 FIYFCZLAYKKFAN-UHFFFAOYSA-N 299.370 3.738 30 20 CHED CCCCC(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901379495 CDOPJBHAYUWOPD-UHFFFAOYSA-N 276.163 3.901 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(C(=O)O)o1 901656880 PWDATPGJNOZACX-LBPRGKRZSA-N 265.353 3.592 30 20 CHED CO[C@@H](C/N=C/c1c(O)ccc2ccccc12)C(F)(F)F 733205351 SKXOCKQWTXCDAK-YUYIWDJPSA-N 297.276 3.542 30 20 CHED N#CCCCCCc1nc(Cc2cc(F)cc(F)c2)no1 589089612 CQKZCOUMVMJHQJ-UHFFFAOYSA-N 291.301 3.565 30 20 CHED Cc1ccc(C)c(CN(C)c2nccc(C#N)c2Cl)c1 580910414 KPCBOBXIKUFBQX-UHFFFAOYSA-N 285.778 3.860 30 20 CHED N#CCCCCCC(=O)N(Cc1ccccc1)C1CC1 588274094 CSONGRQVEFBBQX-UHFFFAOYSA-N 270.376 3.652 30 20 CHED CC(C)(NC(=O)CCCCCC#N)c1cccs1 588927846 ZBQDLSNZKGJYFT-UHFFFAOYSA-N 264.394 3.573 30 20 CHED CCC[C@@H](C)CC(=O)Nc1ccc(Cl)c(C#N)c1 499299954 FLRNSUDXWZFOTM-SNVBAGLBSA-N 264.756 3.976 30 20 CHED CCc1ccccc1NN=C1C(=O)Nc2c(CC)cccc21 733076113 GMCVKZOXBRIMTJ-UHFFFAOYSA-N 293.370 3.580 30 20 CHED C=CCC1(NC(=O)Nc2ccccc2F)CCCC1 664404256 VBGATQPFIVEHFY-UHFFFAOYSA-N 262.328 3.836 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)Cc1ccccc1Cl 735095483 USZLZZLDWSDRFB-NEPJUHHUSA-N 280.799 3.535 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839059184 YYSHFFXXKWMPTC-RQJABVFESA-N 289.400 3.786 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 837455267 RRIPJWJVJGBJDE-UHFFFAOYSA-N 285.387 3.903 30 20 CHED C#CC1CCN(C(=O)Nc2cc(C)c(Cl)c(C)c2)CC1 831781925 YUMYPTXMUCALGM-UHFFFAOYSA-N 290.794 3.834 30 20 CHED CC(C)CCOc1ccc(Nc2ncncc2C#N)cc1 582059302 HQZHBHUXKMCNRX-UHFFFAOYSA-N 282.347 3.517 30 20 CHED C=CCON=C[C@@H](C)c1cccc(Br)c1 835014863 BAQHUHKYOJJFHM-SNVBAGLBSA-N 268.154 3.741 30 20 CHED C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CC=C 582454964 XXWBWYBKBMWTGX-UHFFFAOYSA-N 296.418 3.780 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Nc1ccn(C)n1 730423752 WVTZOSCADCPSPA-CYBMUJFWSA-N 280.416 3.538 30 20 CHED C=C(Cl)CNC(=O)/C=C\c1ccccc1O[C@@H](C)CC 736240932 UQUCMDRWOHEEIX-XPSMFNQNSA-N 293.794 3.746 30 20 CHED CC(C)(CNC(=O)CCCCCC#N)c1cccc(F)c1 588158768 JFUUPZKEFXFZLN-UHFFFAOYSA-N 290.382 3.694 30 20 CHED CC(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(F)(F)F 584023541 SAEJENNWOGFMHB-KBPBESRZSA-N 282.309 3.722 30 20 CHED CC(C)(C)C#CC(=O)NCc1cc2ccccc2s1 837365942 PEUYLOASRKKDLO-UHFFFAOYSA-N 271.385 3.567 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc(Cl)s2)no1 903670898 QGMSZJOPDFERIY-KWQFWETISA-N 296.779 3.900 30 20 CHED C=CCC1(NC(=O)/C=C\c2ccc(C)nc2)CCCCC1 836956669 KBVAMMCLUYQZRV-KTKRTIGZSA-N 284.403 3.798 30 20 CHED Cc1cc2ccccc2nc1NN=C1C[C@H](C)O[C@H]1C 834969385 ARUIODRGEKOHLN-RYUDHWBXSA-N 269.348 3.508 30 20 CHED CC(C)COc1ccccc1C=NNCCC(F)(F)F 834976472 KYEGJMCIDYJPLK-UHFFFAOYSA-N 288.313 3.597 30 20 CHED C=C[C@](C)(CC)COC(=O)c1cccc(Cn2ccnc2)c1 835336682 LAGTUMIUIXVARQ-GOSISDBHSA-N 298.386 3.691 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2ccc(Cl)cc2)C1 839040749 AYXHDSMPLLIMJX-OCCSQVGLSA-N 277.751 3.508 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(C)c1ccc(C#N)cc1F 590982100 OGXQHIZXQSSSKZ-ZDUSSCGKSA-N 276.355 3.732 30 20 CHED CCc1ccc([C@H](C)C(=O)OCC2(CC#N)CC2)cc1 744279657 XYSMJEGZCFRYME-ZDUSSCGKSA-N 271.360 3.590 30 20 CHED CCOC(=O)C(C)(C)ON=C[C@@H](C)c1cccc(Cl)c1 835005243 ULZFPJPNCQQBCZ-LLVKDONJSA-N 297.782 3.788 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(Cl)c2ncccc12 837324156 CIOAEEMHSVZWHH-UHFFFAOYSA-N 286.762 3.876 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)cc1 596672075 PTYRRVPEIUFYLN-FVQHAEBGSA-N 282.387 3.908 30 20 CHED N#Cc1cccc(OCc2c(F)c(F)c(F)c(F)c2F)c1 916612487 KHZHYMLDXVJAAM-UHFFFAOYSA-N 299.198 3.833 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccs1)CC2 741848151 LYBBEWPTBBPENE-XFXZXTDPSA-N 270.353 3.969 30 20 CHED C=CCCC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 591220619 YCOXJXIHVAKUAC-INIZCTEOSA-N 261.340 3.749 30 20 CHED CCOc1cncc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 598676116 NGNMVCRSRXDRMV-AWEZNQCLSA-N 295.386 3.545 30 20 CHED C[C@H](C1CC1)N(C(=O)CC1(C#N)CCCCC1)C1CC1 596783475 QSOYTGXMJGUMOI-CYBMUJFWSA-N 274.408 3.640 30 20 CHED CCN(C(=O)C1CC(C)(C)CC(C)(C)C1)[C@@H](C)C#N 598349475 KXOOFIBJFXZFMH-LBPRGKRZSA-N 264.413 3.599 30 20 CHED Cn1ncc2c1CC/C(=C/c1cc3cc(F)ccc3o1)C2=O 741845070 VFXGQHAKNIMCJT-YFHOEESVSA-N 296.301 3.518 30 20 CHED N#CCCCCCC(=O)NCCC[C@H]1CC1(Cl)Cl 844957436 LIFJCYLPUDXVQR-NSHDSACASA-N 291.222 3.551 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 593618355 IXDZSPHRGSCRCH-BZZMCLGOSA-N 296.414 3.721 30 20 CHED FC1(F)CCC(=NNCc2ccc(Cl)cc2)CC1 842529394 YCSKPVTYNANDBV-UHFFFAOYSA-N 272.726 3.995 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)C#Cc1ccccc1 747371799 ZONFJRMRNXDTGS-UHFFFAOYSA-N 291.394 3.723 30 20 CHED C=CCCC(=NNCCCc1ccccc1)C1CC1 747752197 YXROGNDZFGPJRH-UHFFFAOYSA-N 256.393 3.941 30 20 CHED CCN(CC)c1ccc(/C=N/[C@H]2CCCSC2)c(O)c1 749008267 UBAQXSZHPPUVJT-MPMPPSQCSA-N 292.448 3.553 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 593397711 QTKYEZCSXOOOBD-BXUZGUMPSA-N 276.767 3.553 30 20 CHED C=C(C)CNC(=S)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 841484019 QBFYDVVAMZAHHA-STQMWFEESA-N 268.470 3.584 30 20 CHED C#CC1CCN(C(=O)c2coc3cc(C)c(C)cc23)CC1 843705851 TXFLXNMQLSQMCT-UHFFFAOYSA-N 281.355 3.535 30 20 CHED Cc1cnc([C@H](C)/N=C\c2cc3ccccc3nc2O)s1 749931920 WYEHUPOTWFVOJZ-PKSBALPTSA-N 297.383 3.885 30 20 CHED C=CC[C@@H](NC(=O)N1CCC2(CCCC2)C1)c1ccncc1 745827565 LTKPNOKAWXMVHC-MRXNPFEDSA-N 299.418 3.675 30 20 CHED Cn1nnc2cc(/C=C\C(=O)c3ccc(Cl)cc3)ccc21 740667208 WLGNFKSTBJNURP-OQFOIZHKSA-N 297.745 3.518 30 20 CHED CC(C)CN1C(=O)C(=NNc2ccccc2)c2ccccc21 916245968 PZULGINOUJEJNN-UHFFFAOYSA-N 293.370 3.505 30 20 CHED Cc1noc(C)c1-c1cc(CC#N)ccc1OC(C)C 592986222 FSHMGPFDVVGSEN-UHFFFAOYSA-N 270.332 3.812 30 20 CHED Cc1cc(C(=O)/C=C\c2c(C3CC3)cnn2C)cc(C)c1F 849245188 PCTAKRKHHPSSIG-SREVYHEPSA-N 298.361 3.950 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)n(C2CCCCC2)n1 685684135 FJRNOOFCXKSJBN-UHFFFAOYSA-N 290.411 3.737 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NC1CC(F)(F)C1 591937007 PESXGDXNBDQJHT-UHFFFAOYSA-N 293.704 3.969 30 20 CHED CC(=NO[C@H]1CCCCO1)[C@@H]1C[C@H]1c1cccs1 841633557 PKMMOCBQOALSKW-SCRDCRAPSA-N 265.378 3.771 30 20 CHED CC[C@@H](C#N)C(=O)NCCc1ccc(-c2ccccc2)cc1 593534621 DMVYMTRPXVBBNR-INIZCTEOSA-N 292.382 3.562 30 20 CHED CCOc1ccc(CN(CCC#N)Cc2ccco2)c(C)c1 596977670 NKJVNUFICAFFGF-UHFFFAOYSA-N 298.386 3.903 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@@H](N)[C@H](C)C1 841858528 RFMFAIQCAFVEHR-HZPDHXFCSA-N 297.487 3.506 30 20 CHED Fc1cccc(-c2ccc(C=NNCC(F)F)s2)c1 740618296 NHPCXKWNFLLKCL-UHFFFAOYSA-N 284.306 3.743 30 20 CHED CSc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)cc1 849243167 QJMCZKIMLIUILS-MDZDMXLPSA-N 298.411 3.916 30 20 CHED C=CCCN(C)C(=O)Nc1c(C)cc(C)cc1Cl 682414549 YLQGPMHCYIRABR-UHFFFAOYSA-N 266.772 3.997 30 20 CHED CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 131352579 BPVILDUEZVXUKA-CQSZACIVSA-N 260.356 3.565 30 20 CHED C=CCCCOC(=O)c1cnn(CC(C)C)c1C(F)F 758850151 OXGPHMWDJNCHLB-UHFFFAOYSA-N 286.322 3.600 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1)C(C)C 758041878 UGMXPJSTZSPCHB-LBPRGKRZSA-N 281.783 3.530 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCOC2(CCCCC2)C1 925563452 UKRJYDDFNFLUOF-HUUCEWRRSA-N 278.440 3.786 30 20 CHED CSc1cc(C(=O)OCC2(C#N)CCCCC2)c(C)o1 850932981 UMTXCQFXKPDHLL-UHFFFAOYSA-N 293.388 3.941 30 20 CHED C[C@H](C=Nn1cnc2ccccc21)c1ccc(F)cc1 756875180 FAFCZLXNUMGZDL-GFCCVEGCSA-N 267.307 3.813 30 20 CHED Cc1ccc(CCCC(=O)OCCCCC#N)s1 750972859 FFZGDIBDBGXJJO-UHFFFAOYSA-N 265.378 3.616 30 20 CHED Cc1ccc2occ(CC(=O)OCC3(C#N)CCC3)c2c1 859797388 ZIIBCUGGUFFIBY-UHFFFAOYSA-N 283.327 3.521 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1cc(OC)ccc1O 757467642 HLQPCZKLFGEYOI-CSKARUKUSA-N 298.338 3.696 30 20 CHED CCCCCCCNC(=O)N1CC[C@@H](c2ccco2)C1 858111546 KQAROGRDTAIEHM-CQSZACIVSA-N 278.396 3.749 30 20 CHED COc1cc(C)cc2c1OC/C(=C/c1ccc(F)cc1)C2=O 920389009 FVPPAAKSGLSSJY-LCYFTJDESA-N 298.313 3.801 30 20 CHED CCCON=C(C)c1ccc(OCC(F)(F)F)cc1 754277734 PZZLIWWRDVLKMI-UHFFFAOYSA-N 275.270 3.778 30 20 CHED CCCCCCCCNCc1c(C2CC2)cnn1C 850012045 BCWYWHZGIVOBNK-UHFFFAOYSA-N 263.429 3.748 30 20 CHED CCCCCCCCC(=O)NCc1ccc2c(c1)CCO2 751222615 PNHOMEGNMRCJEQ-UHFFFAOYSA-N 289.419 3.988 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNc1ncc(Cl)cn1 857220646 LBWJTWGTZYUJBU-VHSXEESVSA-N 266.776 3.744 30 20 CHED Clc1cccc(OCCCON=CC2CC2)c1 853734425 ADCFDEVTOHTFTQ-UHFFFAOYSA-N 253.729 3.521 30 20 CHED N#Cc1ccc(OC(=O)c2ccccc2OCC2CC2)cc1 751040306 KNOGWVNYQACIEB-UHFFFAOYSA-N 293.322 3.566 30 20 CHED C=CCOc1ccc(OC(=O)C(C2CC2)C2CC2)cc1 753183554 VPIKSKZPEDDAGK-UHFFFAOYSA-N 272.344 3.593 30 20 CHED COCc1csc(C=NN[C@@H](C)c2ccccc2)c1 853293677 NUKXJCAXKPOIGO-LBPRGKRZSA-N 274.389 3.579 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)CCc1cccc2ccccc12 868464459 ROITYOOHTOKJGT-IBGZPJMESA-N 292.382 3.581 30 20 CHED CCCCCC[C@H](C)C(=O)OCC1(C#N)CCC1 768079629 XSZOIJKXLVVCHY-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED CCOCCCNc1ccc(-c2cccc(C)c2C#N)cn1 863690922 ZWQQDDVWXCBVGH-UHFFFAOYSA-N 295.386 3.767 30 20 CHED CCCCCCCn1cnc(=O)c2cc(OC)c(F)cc21 764942542 ZKRNUPMOMPMRFE-UHFFFAOYSA-N 292.354 3.515 30 20 CHED CCN(Cc1ccccc1C)C(=O)Nc1sccc1C#N 931846091 QHMOVMBXEZHLOM-UHFFFAOYSA-N 299.399 3.982 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc(-c2ccccc2)ccn1 931327285 MXCRLNISFIGZAR-UHFFFAOYSA-N 293.370 3.513 30 20 CHED N#CCc1ccccc1C(=O)N1CCC2(CCCC2)CC1 866000898 RSJLHRDGHDVBAR-UHFFFAOYSA-N 282.387 3.549 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(C)s1 766771742 KSIXBQLERYGYJB-VOTSOKGWSA-N 257.358 3.910 30 20 CHED CC(=C\c1ccccc1)/C=C1\CCc2nc(O)ccc2C1=O 768842133 RKYXNEBEJXAWDV-CEHLPYKYSA-N 291.350 3.946 30 20 CHED CC(=O)CCCCCCC(=O)Nc1cccc(C#N)c1C 764870582 DYFGKRRHUIZCTQ-UHFFFAOYSA-N 286.375 3.735 30 20 CHED CCCCCCCCCN1C(=O)N2CCC[C@@]2(C)C1=O 760951735 QOOHLMMIOAUMGV-INIZCTEOSA-N 280.412 3.554 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(-n2ccnc2)cc1 769840589 LYIZCFXEZRQGPA-UHFFFAOYSA-N 294.333 3.766 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cc2occc2s1 765629747 DTEBDMQXDQZXQX-LLVKDONJSA-N 263.318 3.589 30 20 CHED Cc1ccc(C=NNc2c(F)cccc2Cl)nc1 769830397 YTKQJDOHJSEDMV-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC(C)CC(=NNc1ncc(F)cn1)c1cccs1 760246813 IPNAUBYTAHUGNJ-UHFFFAOYSA-N 278.356 3.540 30 20 CHED C#CCCOc1ccc(CN(C)Cc2cccc(F)c2)cc1 768159346 AUNFDFLZKACLHC-UHFFFAOYSA-N 297.373 3.860 30 20 CHED CC(F)(F)c1ccc(CNc2cccc(CC#N)n2)cc1 1117738904 JQZKSXDLMBENHN-UHFFFAOYSA-N 287.313 3.871 30 20 CHED C#CCOc1ccccc1NCc1cc(C)ccc1F 775367200 YTDNTNJYUQUGFN-UHFFFAOYSA-N 269.319 3.758 30 20 CHED CCCCCCCC(=O)NCc1ccc2c(c1)COC2 770312631 MTZAKJSEKWHMMV-UHFFFAOYSA-N 275.392 3.694 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(C#N)cc1F)C2=O 772803413 TVWHDEBEYILUIB-JYRVWZFOSA-N 293.297 3.528 30 20 CHED Cc1c(Cl)cccc1CN(CCC#N)Cc1ccccn1 876691577 LPKKLQODOVEDCD-UHFFFAOYSA-N 299.805 3.959 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(Br)cc1SC 775183546 OGBMSRRSXMKALU-JTQLQIEISA-N 298.249 3.625 30 20 CHED C[C@H]1CCC[C@H](C(=O)OCc2ccc(CC#N)cc2)C1 776111309 DHKMYKUCJHXPLY-BBRMVZONSA-N 271.360 3.622 30 20 CHED Clc1ccc(NN=C2CCCOCC2)cc1Cl 770594830 AZOXKOKAOHUZGS-UHFFFAOYSA-N 273.163 3.962 30 20 CHED CC(=NNc1nccnc1C(C)C)c1cc(C)oc1C 773092975 HTYAMFGQPIAMOM-UHFFFAOYSA-N 272.352 3.646 30 20 CHED CCc1ccccc1NN=Cc1ccc([N+](=O)[O-])cc1F 777882613 CYOQPUIJJSWUKQ-UHFFFAOYSA-N 287.294 3.742 30 20 CHED CC[C@H](C)Oc1ccc(NCc2cccc(C#N)n2)cc1 876825471 VRTSMMWVTRRJAW-ZDUSSCGKSA-N 281.359 3.743 30 20 CHED Cc1csc([C@H](N[C@@H](C#N)c2ccccc2)C2CC2)n1 1118557345 GEXNEIRSLUVCOC-LSDHHAIUSA-N 283.400 3.757 30 20 CHED C=CCN(C(=O)Nc1cnn(-c2ccccc2)c1C)C(C)C 772442022 WJDRXOMSMKCJOG-UHFFFAOYSA-N 298.390 3.609 30 20 CHED Cc1csc([C@@H](N[C@@H](C#N)c2ccccc2)C2CC2)n1 1118557341 GEXNEIRSLUVCOC-GJZGRUSLSA-N 283.400 3.757 30 20 CHED C=C(CC)COC(=O)c1ccccc1Oc1ccccn1 773521865 KARUOYXSGVHOHA-UHFFFAOYSA-N 283.327 3.997 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 773030353 PBCHIQFXEVJZEL-BVOVVCLWSA-N 284.378 3.612 30 20 CHED N#C[C@@H](OC(=O)c1cc(N)ccc1Cl)C1CCCCC1 776378430 CDGJXDOJKPHIQI-CQSZACIVSA-N 292.766 3.551 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)C1CCCC1 779939101 HXGLQBSCRCBBAI-UHFFFAOYSA-N 263.425 3.903 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCCC(=O)c1ccccc1 1120733200 IRSDRBLQCSLEMI-KRWDZBQOSA-N 299.414 3.997 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1cccc(F)c1F 776259420 IWSVTKKANDQIGY-UHFFFAOYSA-N 296.267 3.757 30 20 CHED C=CCCN(Cc1cccnc1OC)OCc1ccccc1 785826831 TUBGVLSXTUZWKQ-UHFFFAOYSA-N 298.386 3.600 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)c1ccccc1CC#N 782603832 HUNGREFBGYPMHD-AWEZNQCLSA-N 279.339 3.979 30 20 CHED COCCC1(C=NN[C@H]2CCOC(C)(C)C2)CCCCC1 780246171 FBMAKHQDEJBZFI-HNNXBMFYSA-N 296.455 3.506 30 20 CHED C=CCN(Cc1cccnc1Cl)c1ccccc1 789570198 GIBCGJKHRMUHLO-UHFFFAOYSA-N 258.752 3.928 30 20 CHED N#CC1(CC(=O)OCCc2ccccc2)CCCCC1 1122513548 SXMRGLCJKRSHSY-UHFFFAOYSA-N 271.360 3.636 30 20 CHED CCCCN(C)c1nnc([C@@H](C)CCC#N)n1CC(C)C 1122762775 LPZDCEREFIWSPZ-AWEZNQCLSA-N 291.443 3.578 30 20 CHED C=C(CC)C(=O)N[C@H](CC)c1ncc(-c2ccccc2)[nH]1 1123603560 AVNXKGDRRWWOJJ-CQSZACIVSA-N 283.375 3.610 30 20 CHED Cc1ccc(C[C@@H](NCc2ccc(C#N)cn2)C(C)C)cc1 783299928 GZDRJAPWKALXOG-LJQANCHMSA-N 293.414 3.619 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)Oc2ccccc21 782341434 JMCKZOVRSXHGTA-GHXNOFRVSA-N 269.325 3.637 30 20 CHED C=CC[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccncc1 781640678 CAGSIWQEAKVCLJ-LSDHHAIUSA-N 272.392 3.641 30 20 CHED C#Cc1cncc(-c2noc([C@@H](SCC)C(C)C)n2)c1 896570463 YTCJSZOYQPVZBP-ZDUSSCGKSA-N 287.388 3.563 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc(F)c(Cl)c1 787671275 UVGUJIYKXXMLAZ-JTQLQIEISA-N 286.730 3.504 30 20 CHED CCC(=NNc1ccc(OC)cn1)c1cccc(Cl)c1 780267360 KUEOXEGZOBOPBC-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CCCCCC[C@H](C)NN=C1CCC[C@H](N(C)C)C1 788432841 DTNAVYPZLPHANS-HOCLYGCPSA-N 267.461 3.795 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC)[C@H](CC)c1ccccc1 791063619 BQQMEKYXXSWGKN-DLBZAZTESA-N 286.419 3.971 30 20 CHED CC(=NNc1cncnc1)c1cccc(Cl)c1Cl 794979506 XHCLPGNBNPTHGL-UHFFFAOYSA-N 281.146 3.620 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nc(CCCCF)no2)c1 897202211 SFPLPBVSOUJIPC-UONOGXRCSA-N 285.322 3.505 30 20 CHED C=C1CC(c2noc([C@@H](C)Oc3cccc(C(C)=O)c3)n2)C1 896882218 RRHMHWAHNSDSQI-GFCCVEGCSA-N 298.342 3.846 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(Br)cc1F 167726465 RGHBSGUGTSTVNL-QMMMGPOBSA-N 292.579 3.991 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)c1F 799892354 OGQZZGMNPQBHNL-BQYQJAHWSA-N 299.276 3.741 30 20 CHED COCCN(C)N=Cc1c(Cl)ccc(Cl)c1Cl 794962992 GEWLHENROFJGQC-UHFFFAOYSA-N 295.597 3.559 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc2n[nH]cc2c1 794940153 QRHUCXSSTLRRKA-UHFFFAOYSA-N 298.321 3.547 30 20 CHED CC(=NNc1ncccc1F)c1cc(C)sc1C 794990600 POODVUXCNHFWBT-UHFFFAOYSA-N 263.341 3.735 30 20 CHED C[C@@H](C=NNc1cccc(F)n1)CCc1ccccc1 795007221 VFPKRRZLYYAHDV-CYBMUJFWSA-N 271.339 3.887 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1F 799893420 YMTPFKBHLHLPCO-BQYQJAHWSA-N 298.313 3.761 30 20 CHED CC(=NNC1CCOCC1)[C@@H](C)c1ccc(Cl)cc1 794516031 HAKQYUSZIQBCHW-LLVKDONJSA-N 280.799 3.588 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)NCC1(C#N)CC1 797779455 ALFGWUSJCYVKBE-OAHLLOKOSA-N 264.413 3.793 30 20 CHED COc1ccsc1C(=O)/C=C/c1c(F)ccc(O)c1F 794944311 FINIIJFYOKXQOA-DUXPYHPUSA-N 296.294 3.637 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cccnc2C)c(O)c1 799895982 SUWQTXVEKQEPEN-SREVYHEPSA-N 267.328 3.609 30 20 CHED COC(=O)c1csc(C(=O)/C=C/c2sccc2C)c1 794726762 XNNSLXKKUBTCPR-ONEGZZNKSA-N 292.381 3.801 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccccc1SC(C)C 791741328 KDXCNTWSBDEECS-CYBMUJFWSA-N 275.417 3.719 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccsc1 797291506 GVTPFMZJTFOGBP-GQCTYLIASA-N 258.342 3.961 30 20 CHED N#Cc1cc(NCc2cnc(Cl)s2)ccc1Cl 89657758 WTSDFQDCKDOYNL-UHFFFAOYSA-N 284.171 3.934 30 20 CHED N#Cc1c(F)cccc1SCC[C@@H](O)c1ccccc1 1307351247 QIWQEBLEFAQRDX-OAHLLOKOSA-N 287.359 3.913 30 20 CHED O=C(CC#Cc1ccccc1)N1CCCc2cccc(F)c21 1319311974 JXKSODBZDQLDIC-UHFFFAOYSA-N 293.341 3.547 30 20 CHED Cc1cccc(C)c1CN(C)c1ccc(Cl)c(C#N)n1 1164249926 SUTZURMMUIPPFQ-UHFFFAOYSA-N 285.778 3.860 30 20 CHED CC(=NNc1cccc(C)c1)c1c(C)nc2sccn12 1317785763 XBMNAVMWOFVWMB-UHFFFAOYSA-N 284.388 3.849 30 20 CHED C=C[C@@](C)(CC)c1nnc(-c2ccc(OC)cc2OC)o1 1327364349 MDIODYVHZPTQCY-INIZCTEOSA-N 288.347 3.608 30 20 CHED C=CCn1cnnc1S[C@H](C)c1cccc(Cl)c1 1321897478 DHFOIDJAOWTBFB-SNVBAGLBSA-N 279.796 3.971 30 20 CHED Cn1ccc(NN=C2CC(C)(C)CCc3ccccc32)n1 1256446023 ATOMIWVFIKADST-UHFFFAOYSA-N 282.391 3.599 30 20 CHED N#Cc1ccc(CCSc2cccc(F)c2C#N)cc1 1189433700 XLPZBPXRNSHIFZ-UHFFFAOYSA-N 282.343 3.904 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)/C=C\C1CCCCC1 1339028922 REYMTVKEKXSWQZ-SREVYHEPSA-N 289.766 3.682 30 20 CHED Cc1ccoc1CC(=O)N(c1ccccc1C#N)C1CCC1 1332587775 IGEFTNKZYZEPMQ-UHFFFAOYSA-N 294.354 3.588 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(-c2cnco2)c1 1335408686 XDQQFFSLQXGQIR-LBPRGKRZSA-N 270.332 3.882 30 20 CHED N#Cc1cccc(N(C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C2CCC2)c1 1331919134 XJDCKZIMBDZSPA-VKJFTORMSA-N 294.398 3.880 30 20 CHED C[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccc(F)cc1F 1346350387 HGMBWUOPRUSBBQ-MNOVXSKESA-N 295.329 3.940 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)Oc2ccccc21 1191057828 MPCRNTQHMIKSGC-AWEZNQCLSA-N 278.355 3.654 30 20 CHED CCCc1ccc(C(=O)Nc2cc(C#N)ccc2F)s1 1275425831 MUIQTLWHVUBQFJ-UHFFFAOYSA-N 288.347 3.964 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC1CCCCCCC1 1348572475 TYPKNTSKPWAURN-UHFFFAOYSA-N 270.376 3.709 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c2c1CCC2 1275465025 RGZHRHCVYYJJDK-UONOGXRCSA-N 283.371 3.723 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccsc1C#N 1527387293 JVOXLPDAPBGEHZ-NWDGAFQWSA-N 276.405 3.566 30 20 CHED CC(C)c1cc(NC(=O)[C@H](C#N)CCc2ccccc2)no1 1465491125 IOEJEQYTIJGCAR-AWEZNQCLSA-N 297.358 3.509 30 20 CHED C=C(Cl)CNC(=O)c1cccc(SC(F)(F)F)c1 1465283685 JKQZCFNYXDKSPA-UHFFFAOYSA-N 295.713 3.781 30 20 CHED C=CC(C)(C)CCCNCc1cc(C(=O)O)c(C(C)C)[nH]1 1602807488 MTNUAPPJOODCPG-UHFFFAOYSA-N 292.423 3.918 30 20 CHED CCCN(Cc1cccc(C#N)n1)CC1CCCCC1 1461949309 PMXJWPBPAZPRCK-UHFFFAOYSA-N 271.408 3.746 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H](C)c2ccccc2F)n1 1534294161 PDURXMGTAXPAML-LLVKDONJSA-N 297.333 3.533 30 20 CHED CCCN(C)c1ccccc1NC(=O)c1cccc(C#N)c1 1461971907 FOUOOFCTTJRMHK-UHFFFAOYSA-N 293.370 3.657 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 1470212065 SCIOKEJPQWNFRC-YSVLISHTSA-N 299.418 3.745 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N(CC)[C@@H](C#N)CC 1617775987 KZOODUMYKPZGOL-DLBZAZTESA-N 286.419 3.714 30 20 CHED N#Cc1ccccc1CSc1ccc2c(c1)CCO2 1473044090 PEFIKFOYFJRRMB-UHFFFAOYSA-N 267.353 3.785 30 20 CHED CC(C)c1ccccc1NC(=O)c1ccc(C#N)cc1 3561234 PRGLVXJKFZUXSS-UHFFFAOYSA-N 264.328 3.934 30 20 CHED C=C(CC)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 1548618793 ODJIRLIJZGPRPT-AWEZNQCLSA-N 263.768 3.874 30 20 CHED C[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H](C)C1 1620591933 VIDMVMQRIGDUTN-RBSFLKMASA-N 256.393 3.987 30 20 CHED Cc1ccc(C[C@H](C)Nc2snc(C)c2C#N)c(C)c1 1559104526 NKLVJMZPLQPTQN-LBPRGKRZSA-N 285.416 3.983 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)Nc1n[nH]cc1C#N 1638659685 IMEZEXATGDZPCW-ZDUSSCGKSA-N 288.395 3.607 30 20 CHED C=C[C@H](N[C@H](CC)c1cccc2ccccc12)C(=O)O 1573347145 JJLMJEIMYLHLSH-CVEARBPZSA-N 269.344 3.520 30 20 CHED C[C@H]1CCCC[C@H]1Cn1c(C(F)(F)F)ccc(C#N)c1=O 1652171336 VBCXIEDRCJNOMK-JQWIXIFHSA-N 298.308 3.565 30 20 CHED Cc1cc(NCc2ccc(Cl)cc2F)ncc1C#N 1650991772 WTVOHAPVTDWGJR-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=C(Cl)CN1CCC(Cc2cccc(F)c2F)CC1 1653868917 DLTODKDUSOXJPS-UHFFFAOYSA-N 285.765 3.972 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1scc(C)c1C#N 1669735880 IAEBCNVTBANPLI-ONGXEEELSA-N 279.409 3.874 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 1658715356 YDZAXKYIZLHUPT-DZJNRPSUSA-N 268.404 3.995 30 20 CHED C=CCC[C@@H](C)Nc1ccc(C[C@@H](C)C(=O)O)cc1 1588777562 DKMKSBYIJSRXJL-CHWSQXEVSA-N 261.365 3.716 30 20 CHED CCCc1cccc(/C=C\c2nc(C(=O)O)ccc2C#N)c1 1776835717 CHHIATFMJWQWJF-CLFYSBASSA-N 292.338 3.774 30 20 CHED C=CCCC[C@@H](NCc1ccc(CC2CC2)s1)C(=O)O 1776171069 DODGYVZNCRDFNW-OAHLLOKOSA-N 293.432 3.600 30 20 CHED Cc1c(NN=Cc2ccccc2Cl)cccc1C(=O)O 1776086250 JIGAGJWSJIUISZ-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2sccc2Cl)C1 1776156304 SYFZZHIMONFUSI-AWEZNQCLSA-N 299.823 3.644 30 20 CHED C=CCC[C@@H](NCc1cccn1C)c1ccccc1 158812446 BIVSUOXCPDCZSR-QGZVFWFLSA-N 254.377 3.822 30 20 CHED C[C@H]1CC[C@@H](C)N1C(=O)N[C@@H](CCC#N)c1ccccc1 160507313 ZLJGIXXJGHRTBT-LZWOXQAQSA-N 285.391 3.614 30 20 CHED C=C(C)CN(CC)C(=O)C1(Cc2ccccc2)CCC1 160823563 MQIQQWVWKILCTM-UHFFFAOYSA-N 271.404 3.824 30 20 CHED CN(C(=O)[C@@H]1CCCc2sccc21)c1ccc(C#N)cc1 168297817 ZZWMDLUFUXCJNX-OAHLLOKOSA-N 296.395 3.703 30 20 CHED C=CCCNC1CC(c2cccc(Br)c2)C1 168506475 AAJRUGAFOJDITL-UHFFFAOYSA-N 280.209 3.861 30 20 CHED N#Cc1cccc(Nc2ccc(Cc3ccncc3)cc2)n1 151942166 LHYIPLNIBXSHGW-UHFFFAOYSA-N 286.338 3.683 30 20 CHED C=C(C)CNC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 152989372 PFWNXMNQEZDLAI-ZDUSSCGKSA-N 285.309 3.891 30 20 CHED Cc1cc(F)cc2c(NC[C@]3(C)CCCO3)c(C#N)cnc12 152566201 XLSPWXXJWZVHNX-KRWDZBQOSA-N 299.349 3.535 30 20 CHED C=CCCOc1cc(Br)ccc1C(C)=O 155817621 KEOMDANBOLVYLW-UHFFFAOYSA-N 269.138 3.607 30 20 CHED N#Cc1ccc(CCC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 155820324 RPJGKJBJYOBTGY-MSOLQXFVSA-N 296.414 3.576 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCO[C@@H](c2ccccc2)C1 154234044 VQHJXYNTPSJJGW-CYJQLDTJSA-N 281.355 3.731 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)nc1 156680239 SLKUAHQARJIDOQ-GXFFZTMASA-N 287.725 3.714 30 20 CHED C[C@H](C1CC1)N(C(=O)c1ccc(C#N)c(Cl)c1)C1CC1 154574137 CVGUZCUODAJDJN-SNVBAGLBSA-N 288.778 3.615 30 20 CHED C=CCCCCCN(C)C(=O)Cc1cccc(F)c1 156777650 HIBVEACYGYSWBK-UHFFFAOYSA-N 263.356 3.573 30 20 CHED CCCCCCCCCCn1cncc(F)c1=O 829818281 WMCDERDWTGSLCP-UHFFFAOYSA-N 254.349 3.523 30 20 CHED C#Cc1cccc(CN[C@@H]2c3ccccc3C[C@H]2C)c1 834904598 ZPSUGEWIXNUJNT-KUHUBIRLSA-N 261.368 3.691 30 20 CHED N#Cc1cc(N2C[C@@H]3CCC[C@H]3C2)ccc1C(F)(F)F 158140655 NIQKHEAOVQQOPV-QWRGUYRKSA-N 280.293 3.813 30 20 CHED C#Cc1cccc(NCc2c(C)nc3sc(C)cn23)c1 36820435 RADXTVIYKCKJRU-UHFFFAOYSA-N 281.384 3.606 30 20 CHED CC1CCC(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 48474400 VXLAQYOTHZHFNI-UHFFFAOYSA-N 291.782 3.912 30 20 CHED CC(C)C[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C1 307773399 KJYPVOCQVQRPRQ-NSHDSACASA-N 264.319 3.709 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNCc1ccc(C#N)cc1 401734965 FXYXICBLQZBFAT-IAGOWNOFSA-N 256.393 3.864 30 20 CHED N#CCCCOc1cccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 312862635 YPPOOUSKXQKBOC-XOKHGSTOSA-N 270.376 3.970 30 20 CHED Cc1noc(C)c1[C@H](C)Nc1ccc(C#N)c(Cl)c1 78678640 BHCUTLCYXJPSSF-QMMMGPOBSA-N 275.739 3.990 30 20 CHED N#Cc1cc(NCc2nc3c(s2)CCCC3)ccc1F 617816835 XQFYQOZBFCPAJU-UHFFFAOYSA-N 287.363 3.645 30 20 CHED C=C1CCN(CC[C@H](C)OCc2ccccc2)CC1 354884415 SHLYEELSBPBPLS-INIZCTEOSA-N 259.393 3.634 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 440424200 XLLPLJIGFIPXSH-UHFFFAOYSA-N 276.767 3.976 30 20 CHED Cc1cc(CNCCc2cccc(C#N)c2)c(C)s1 574627468 VUZNADJURMIADC-UHFFFAOYSA-N 270.401 3.569 30 20 CHED CCC1(C)CCN(Cc2ccc(C#N)c(F)c2)CC1 361707586 WEWJQNGNFIBVNL-UHFFFAOYSA-N 260.356 3.709 30 20 CHED Cc1cc(OCc2nccs2)c(C)c(C)c1C#N 310688232 PYCCVYJPSJINFH-UHFFFAOYSA-N 258.346 3.519 30 20 CHED CS[C@@H]1CCC[C@H](Nc2cccc(F)c2C#N)C1 227360090 NFEZJHPLCFRXGM-WDEREUQCSA-N 264.369 3.783 30 20 CHED C=CCCC(=O)N1c2ccccc2S[C@@H](C)[C@H]1C 176698840 GZWRMRXKDOZIBU-NEPJUHHUSA-N 261.390 3.869 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 170852146 DEMTTXCFDLXBHH-QBFSEMIESA-N 295.294 3.644 30 20 CHED N#Cc1ccc(/C=C/C=C/c2ccc(F)cc2)nc1 178535066 ASSDOQXJTZMXAK-ZPUQHVIOSA-N 250.276 3.819 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1CCCSCC#N 177545331 MEGILSCARAJWOB-HOCLYGCPSA-N 274.433 3.511 30 20 CHED C=CCCCC(=O)NCc1ccc(Br)cc1C 175618509 BXBKMOGGDFVENY-UHFFFAOYSA-N 296.208 3.730 30 20 CHED C=C(C)CN1CCC(NC2CCC(C)(C)CC2)CC1 174363356 GPLXPGGEQJBXCT-UHFFFAOYSA-N 264.457 3.585 30 20 CHED COc1c(C)cnc(CSc2ccccc2C#N)c1C 173708371 IWGOHEAHBICXCS-UHFFFAOYSA-N 284.384 3.871 30 20 CHED Cc1ccc(CCNCc2cccc(C#N)c2)c(C)c1 65431558 PRVVAGVITHMISM-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C=CCCC(=O)N(C)Cc1cccc(Cl)c1Cl 171421598 PHNDFKGNWAXOSY-UHFFFAOYSA-N 272.175 3.918 30 20 CHED C=CC1CCN(Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 111258800 PLCUZQZCRWUCNJ-UHFFFAOYSA-N 297.398 3.808 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)c2ccc(C#N)cc2)n1 29588818 RDOJHTGEYXDKOY-CYBMUJFWSA-N 276.343 3.615 30 20 CHED C=C[C@H](C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 119328067 IDFXMHYJXUFRCE-NWDGAFQWSA-N 273.355 3.545 30 20 CHED C=C(C)COc1cccc(NC(=O)CSCCC)c1 66463765 VGDGZQFHVPKJEB-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C=CCC[C@@H](NCc1ccc(COC)cc1)C1CC1 119999722 KQEJJPDXFIGXIU-QGZVFWFLSA-N 259.393 3.667 30 20 CHED CC[C@@H](OC(=O)COc1ccc(C#N)cc1)c1ccccc1 113464703 PUXYBGWEZXRBMC-QGZVFWFLSA-N 295.338 3.632 30 20 CHED CCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 60388800 IULGIUJFEOPUHP-SNVBAGLBSA-N 276.405 3.873 30 20 CHED C=CCN1CCC(Nc2cc(C)nc3ccccc23)CC1 301360986 AKPAPTFNCQFGPD-UHFFFAOYSA-N 281.403 3.606 30 20 CHED CSc1cc(C)ccc1CNc1ccc(C#N)cn1 301609494 PSLLADMDJRNARE-UHFFFAOYSA-N 269.373 3.596 30 20 CHED N#Cc1ccc(N2CCC(CCCN3CCCC3)CC2)cc1 129668005 BBUBPGGHPUBJGK-UHFFFAOYSA-N 297.446 3.651 30 20 CHED CCCCCCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 171288413 RAQOVWZLHLGLDQ-UHFFFAOYSA-N 299.418 3.813 30 20 CHED CCc1cc(Oc2ccc(C#N)cn2)ccc1Cl 37022819 GRTIJXUKXRWAHL-UHFFFAOYSA-N 258.708 3.961 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)CCCC(C)(C)C 303942400 RNLBQAYNHPXEEU-UHFFFAOYSA-N 291.366 3.993 30 20 CHED CC(C)(C(=O)Oc1ccc(C#N)cc1)c1cccc(F)c1 127776825 QNRVYBUDCQCZQC-UHFFFAOYSA-N 283.302 3.581 30 20 CHED Cc1cc(C)c(C#N)c(NCCCN(C)c2ccccc2)n1 302223069 QYJJJYSNRROXBZ-UHFFFAOYSA-N 294.402 3.509 30 20 CHED COCCC1(CN[C@@H](C)c2cccc(C#N)c2)CCCC1 181897863 ZCLNGSPWCQTESZ-HNNXBMFYSA-N 286.419 3.806 30 20 CHED C[C@H](Nc1ccc(C#N)nn1)c1cc2ccccc2s1 302007168 UNDSVYCJAMFYNZ-JTQLQIEISA-N 280.356 3.736 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(F)cc(Cl)c1 181804389 ABFRLKZBQPNZDW-UHFFFAOYSA-N 256.708 3.519 30 20 CHED CC#CCCCC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 185579457 APQSRJSQMMEMHJ-WBVHZDCISA-N 269.388 3.585 30 20 CHED C=CCC[C@H](O)CNC(c1ccccc1)c1ccccc1 120929905 GIASIZDYZRVRGQ-SFHVURJKSA-N 281.399 3.693 30 20 CHED C=CCC[C@H](C(=O)N[C@H](CC)CSC)c1ccccc1 188973419 CKFIIUSXJOIBRQ-CVEARBPZSA-N 291.460 3.994 30 20 CHED CCCCN(C)C(=O)CS[C@H](C)c1cccc(C#N)c1 189881046 XZFMGCABLFKZGI-CYBMUJFWSA-N 290.432 3.611 30 20 CHED CCN(CCCSCC#N)Cc1ccccc1Cl 74981556 ZTBNUKMSEZNMJK-UHFFFAOYSA-N 282.840 3.809 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1Cl 129568886 XRINFFLGPMCOHK-WDEREUQCSA-N 279.746 3.573 30 20 CHED Cn1c(C2CC2)nc2cc(N[C@H]3CCC[C@@H](C#N)C3)ccc21 185890540 ITAXZFDXRRFQLL-OCCSQVGLSA-N 294.402 3.945 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H]2CCCC[C@H]21 501254651 SGUJJOIEHADNJU-DOTOQJQBSA-N 284.403 3.721 30 20 CHED Cc1cccc2c(CCN[C@H]3CCC[C@@H](C#N)C3)c[nH]c12 185840975 QUWXGFQBWDGVHD-ZBFHGGJFSA-N 281.403 3.691 30 20 CHED CC1(C)C[C@@H](/N=C/c2cc3ccccc3nc2O)C(C)(C)O1 182048341 XMTWXCNMTJPKET-SKCQWOFPSA-N 298.386 3.705 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)C 500328379 IFQSHIVRLVHTTD-UHFFFAOYSA-N 286.419 3.979 30 20 CHED Cc1cc(CN2CCC(C(F)(F)F)CC2)ccc1C#N 488419058 ZNSOKGKEXZWADA-UHFFFAOYSA-N 282.309 3.641 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1c[nH]c2ccccc12 187515558 ILDWCEZKFNPDNW-UHFFFAOYSA-N 297.402 3.641 30 20 CHED N#CC1(CSCc2cnn(-c3ccccc3)c2)CCC1 419360045 MQHIKHUWACOADV-UHFFFAOYSA-N 283.400 3.799 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](C)Sc1ccccc1 188462020 DJCZLVRFDAPPBO-XJKSGUPXSA-N 277.433 3.886 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ncc(CC)s1 181374425 CCRIGVWFYGAZOI-GFCCVEGCSA-N 295.452 3.592 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cnc(C)s1 414541027 VODOLNZNOAQORZ-HNNXBMFYSA-N 272.417 3.729 30 20 CHED Cn1cc(/C=C/C(=O)c2ccncc2)c(C2CCCCC2)n1 181383160 IKJUNBZEHSJCPJ-BQYQJAHWSA-N 295.386 3.759 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)C1 503661971 DLTPAGCQWYCJMF-XGYYKPKNSA-N 276.424 3.647 30 20 CHED C=C[C@H](C)N[C@@H]1CCc2cc(Br)ccc21 157224987 CKYXHZSHXXQENC-TVQRCGJNSA-N 266.182 3.601 30 20 CHED N#CC1(CN[C@H]2CC[C@H](Cc3ccccc3)C2)CCC1 418144980 WDTSUODHMQSRMN-SJORKVTESA-N 268.404 3.681 30 20 CHED COc1ccc([C@@H](C)CN(CCC#N)Cc2ccco2)cc1 183497820 RYBFWDQYWIRCTN-HNNXBMFYSA-N 298.386 3.808 30 20 CHED N#CC1(CCn2cnc(-c3ccccc3)n2)CCCCC1 419049782 XRUQWKLFNVTSOM-UHFFFAOYSA-N 280.375 3.809 30 20 CHED C=C(C)CCN1C[C@H](c2ccccc2C)OC[C@@H]1C 509679424 HSWBVLFARCPUGV-DOTOQJQBSA-N 259.393 3.723 30 20 CHED C[C@H](CCc1ccco1)Nc1nc2c(cc1C#N)CCCC2 314796962 KYTXQNICULITBU-CYBMUJFWSA-N 295.386 3.858 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H](C)C(C)(C)C#N)c[nH]c2c1 131651722 KSLFYRGRVCFNBM-LBPRGKRZSA-N 284.359 3.500 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc([C@@H]2CCC(=O)N2)c1 414312776 JUNMAPDELYYNMH-ZENOOKHLSA-N 272.392 3.650 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(F)nc2)c1C 186411401 SDALERVMDKZERO-SOFGYWHQSA-N 255.292 3.734 30 20 CHED N#CCCSCc1cccc(CSCCC#N)c1 413013175 NJEBEBNCISRQGP-UHFFFAOYSA-N 276.430 3.980 30 20 CHED C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@H]1CC[C@H](C#N)C1 414343991 BZAQHYAJPOSPBS-WWGRRREGSA-N 299.393 3.530 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc(Cl)cc1 84070103 PORCMJUBCUDSOM-SECBINFHSA-N 290.775 3.764 30 20 CHED COc1c(Cl)cccc1NCc1ccc(C#N)s1 159313518 LOZBGJDHYDYVGL-UHFFFAOYSA-N 278.764 3.894 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2nc3c(s2)CCCC3)CCC1=O 328908700 DDQBAZXJRNKJIZ-UWVGGRQHSA-N 292.404 3.615 30 20 CHED CC(C)Oc1ccc(NC(=O)c2cc(C#N)cs2)cc1 84083996 AZJLFAFFYGJFRN-UHFFFAOYSA-N 286.356 3.659 30 20 CHED CC(C)(C#N)C(=O)Oc1ccc(Cl)c2ccccc12 49459076 KVKVRJLPPWEYJG-UHFFFAOYSA-N 273.719 3.948 30 20 CHED O/C(CSc1nncs1)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329681647 XBNRQLFQNXKLFD-GARJFASQSA-N 297.449 3.556 30 20 CHED Cc1ccc(C)c(OC(=O)C2(C#N)CCCCC2)c1 194313913 OYLRPGDKBOWJNR-UHFFFAOYSA-N 257.333 3.683 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cccc3[nH]ccc23)CCC1=O 328936583 FYYLVTVMXXZOQF-GHMZBOCLSA-N 270.332 3.761 30 20 CHED CSC1(C/N=C/c2cc3ccccc3nc2O)CCC1 193256737 VVCHIEQTVHCGNT-LICLKQGHSA-N 286.400 3.645 30 20 CHED C=CCn1cc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)nn1 424141145 OMQNMXROTDKXEU-CQSZACIVSA-N 298.434 3.612 30 20 CHED CCCc1nc(C)c(C(=O)Nc2cccc(C#N)c2)s1 42816258 SWORQJBGZAKMJK-UHFFFAOYSA-N 285.372 3.528 30 20 CHED C#CCCCC(=O)Nc1cc(CC)nc2ccccc12 190606828 GIGYZPIQBKSGFO-UHFFFAOYSA-N 266.344 3.539 30 20 CHED CC(C)[C@H](CC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424974281 CUCFFNJOEPMKOZ-UAGQMJEPSA-N 284.403 3.625 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)cc1Cl 424359310 YIZZVBDDBZPIFL-XZJROXQQSA-N 295.810 3.733 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCC1(C#N)CCC1 332496611 VEVRCHUVPUHIDQ-KGLIPLIRSA-N 291.439 3.536 30 20 CHED CC(=O)c1ccc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)cc1C 331304057 UBYLTRQLVHRRJX-ZWNOBZJWSA-N 274.364 3.712 30 20 CHED C=CCC[C@H](NCCN(C(C)C)C(C)C)c1ccco1 513758704 BOZOMJMBLROVSC-INIZCTEOSA-N 278.440 3.995 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccccc1OC 510655398 AWVIHFKHIWZEGF-UHFFFAOYSA-N 297.398 3.892 30 20 CHED CC(C)(C#N)c1ccccc1CN1CC[C@@H]2CCC[C@@H]21 426455503 SUVDGIKJZHBWTB-YOEHRIQHSA-N 268.404 3.862 30 20 CHED CC(C)[C@H](Nc1cncc(C#N)n1)c1ccccc1Cl 420606916 YFSKLDNUNBWARE-HNNXBMFYSA-N 286.766 3.811 30 20 CHED N#C[C@H]1CC[C@H](NCc2csc3ccccc23)C1 336611804 UFIBELWEVNYEHJ-AAEUAGOBSA-N 256.374 3.683 30 20 CHED C=CCC[C@@H](O)CN(C(C)C)[C@H](C)c1ccccc1 428865172 VLHGWXNFNFAIQK-NVXWUHKLSA-N 261.409 3.785 30 20 CHED C=CCOc1ccc(CN2CCC[C@H](OC)C2)cc1Cl 91772240 ZRWIESHQUQAICX-AWEZNQCLSA-N 295.810 3.516 30 20 CHED C=CCN(C)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 429323120 SCBXMAUOGSEUHB-UHFFFAOYSA-N 274.364 3.565 30 20 CHED Cc1c(C(=O)N2CCC(CC#N)CC2)oc2ccccc12 334190252 JDYVAHBIRWMASJ-UHFFFAOYSA-N 282.343 3.507 30 20 CHED C=C(C)CN(CC)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 93944953 NYYVCJNTIZZQNA-UHFFFAOYSA-N 290.363 3.558 30 20 CHED C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[C@H]1c1ccccc12)OCC 338492945 ACHODDPLSVULMS-FHLIZLRMSA-N 299.414 3.819 30 20 CHED C=C1CCN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)CC1 517453375 TWWOJTPZZPVPBK-ZDUSSCGKSA-N 293.794 3.594 30 20 CHED CC(=O)c1ccc(Oc2ncc(C#N)cc2Cl)cc1 336364694 KIWCVPNVRUHWFP-UHFFFAOYSA-N 272.691 3.602 30 20 CHED C=C(C)CN(CC)Cc1nn(-c2ccccc2)c2c1CCC2 513743975 FMAZRBGWZJFWAZ-UHFFFAOYSA-N 295.430 3.759 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(F)c(OC)cc1C 335213964 UAVCYDYADHPGKL-LBPRGKRZSA-N 292.354 3.715 30 20 CHED Cn1nccc1/C=C\C(=O)c1ccc(C(C)(C)C)cc1 97015596 XCSUEXFVKJWGTG-KTKRTIGZSA-N 268.360 3.614 30 20 CHED CC(C)[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1 337377147 BSXUCFKODUGCEV-CZUORRHYSA-N 273.355 3.556 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(-c2cccnc2)ccc1C 432804654 ITENCCAPIHFHBS-CYBMUJFWSA-N 281.359 3.753 30 20 CHED CC(C)[C@H]1N(C(=O)c2cccc(CC#N)c2)CC12CCCC2 334751751 PJYDHEHYUQTYQS-QGZVFWFLSA-N 296.414 3.793 30 20 CHED Cc1ccc(C)c(CN(C)c2c(C#N)cccc2C#N)c1 436359978 INHMAPUMIOTHSG-UHFFFAOYSA-N 275.355 3.683 30 20 CHED Cc1ccccc1Oc1snc(Cl)c1C#N 92581439 HOOBPUUCJCCIIJ-UHFFFAOYSA-N 250.710 3.769 30 20 CHED Cc1cccc(C)c1C[S@@](=O)Cc1ccc(CC#N)cc1 342234364 AAYQLIBASOPGJG-NRFANRHFSA-N 297.423 3.818 30 20 CHED C=C(C)[C@H](CC(=O)N1CCc2cc(Cl)ccc21)OCC 341693285 FNSCKJUSDIVPOI-HNNXBMFYSA-N 293.794 3.600 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@H](C)SC)CCCC1(C)C 347477153 CIVUBWPNGFFPRP-STQMWFEESA-N 269.454 3.721 30 20 CHED CCSCc1ccc(C(=O)N(CC)C[C@@H](C)C#N)cc1 347044894 AEDYVJZXNXFJPQ-ZDUSSCGKSA-N 290.432 3.561 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 345833676 PXOHMOFRJBCRJF-OLZOCXBDSA-N 287.407 3.880 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C)o2)CCCC1(C)C 347414247 FPTVFKPXWXIEJR-CQSZACIVSA-N 261.365 3.795 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(CC2(C#N)CC2)C1 343317078 BULMSKCHAKHHGU-DOMZBBRYSA-N 258.340 3.512 30 20 CHED CSCc1cccc(NC(=O)c2cccc(CC#N)c2)c1 609454362 PMVMUOPJPPTCTG-UHFFFAOYSA-N 296.395 3.868 30 20 CHED C[C@@H]1C[C@@H](C)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1 438063612 QPSSYXUMUJIZFI-CHWSQXEVSA-N 297.320 3.667 30 20 CHED CCOc1cc(F)ccc1N[C@H](C#N)Cc1ccccc1 603955399 YVWHITFIQGYATF-HNNXBMFYSA-N 284.334 3.771 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)s1 538398278 IPXZBRSFFVIOOA-FRRDWIJNSA-N 260.406 3.678 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCCc2cccc(C#N)c2)o1 341473465 VRGVPXWKFKQULK-CXAGYDPISA-N 280.371 3.607 30 20 CHED N#CCc1ccc(CNC2(c3ccccc3)CC2)cc1 343685932 ITRMQSBGEYVVEC-UHFFFAOYSA-N 262.356 3.532 30 20 CHED Cc1cc(COc2ccc(C#N)c(F)c2)c(C)s1 343269259 JAIHDYZYPAHHPU-UHFFFAOYSA-N 261.321 3.955 30 20 CHED Cc1nc2cc(C(=O)Nc3cc(C#N)ccc3C)ccc2o1 348196082 RHEXQIYDXOXMAI-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C[C@H](N[C@H](C#N)C1CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 609676968 JCFZBUKESZZEMG-XPYWIHLFSA-N 260.425 3.873 30 20 CHED CCn1nccc1/C=C\C(=O)c1coc2ccccc12 254942052 GDSPNWDCZDOLRE-FPLPWBNLSA-N 266.300 3.545 30 20 CHED C[C@H](CCC#N)CNc1cccc(CCN2CCCC2)c1 602577133 SUFINBPKUCNCKI-MRXNPFEDSA-N 285.435 3.677 30 20 CHED C[C@H](CCC#N)CN1CC[C@H](c2ccc(F)cc2)C1 602469751 WLPYLWJOLQNIJX-HIFRSBDPSA-N 260.356 3.555 30 20 CHED C=CCCC1(C(=O)N(CC)Cc2cccs2)CC1 353683106 HCFRRHPPDPXSIC-UHFFFAOYSA-N 263.406 3.843 30 20 CHED C[C@H](CCC#N)N1CCC(Oc2ccccc2Cl)CC1 351490185 DYUWTLJIGLXIQX-CYBMUJFWSA-N 292.810 3.875 30 20 CHED C=CC[C@@H](C(=O)N1CCC(SC)CC1)c1ccccc1 601691558 MUXWMSIZHSEVKT-MRXNPFEDSA-N 289.444 3.700 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cccc(Cl)c1Cl 537290662 NLVCUKWNMWYTQF-SECBINFHSA-N 269.175 3.948 30 20 CHED CC(C)CCN(CCC#N)C(=O)CCCC(=O)C(C)(C)C 448906566 AJXSIJAIMXPNPO-UHFFFAOYSA-N 294.439 3.560 30 20 CHED CC(C)CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 603529943 ZLHIWPWKJJZRMA-XYJFISCASA-N 296.414 3.983 30 20 CHED Cc1ccsc1CCNCC(C)(C)CCC#N 358517076 OFCKTNBUKWDJHC-UHFFFAOYSA-N 250.411 3.519 30 20 CHED N#Cc1ccc(CSc2ccncc2)c(OC(F)F)c1 448100860 JFMDRKGVLSNMNX-UHFFFAOYSA-N 292.310 3.847 30 20 CHED CC(C)(NCc1ccc(C#N)s1)c1cccs1 537306274 IYTLJYKNRKWAIG-UHFFFAOYSA-N 262.403 3.706 30 20 CHED CC(C)(CCC#N)CN1CC=C(C(F)(F)F)CC1 353742523 ATAUPXZWHSECFN-UHFFFAOYSA-N 260.303 3.511 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 356623694 CXIKEBWQYPTKIT-NVXWUHKLSA-N 284.403 3.935 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC2(CCC2)c2c(F)cccc21 351834656 LKBPUKZODDVZRS-MRXNPFEDSA-N 286.350 3.534 30 20 CHED N#Cc1cccnc1Oc1cncc(-c2ccccc2)c1 357595971 NRHXHWMCCFBZIQ-UHFFFAOYSA-N 273.295 3.808 30 20 CHED CC1(C)CCCCN(c2ccc(Cl)c(C#N)n2)C1 445668665 OZNXIHGOSSTJKA-UHFFFAOYSA-N 263.772 3.623 30 20 CHED Cn1ccc2ccc(Nc3c(C#N)nnc4ccccc34)cc21 443516081 DEPNUYXOXIWEMN-UHFFFAOYSA-N 299.337 3.737 30 20 CHED Cc1cn(Cc2ccc(Br)cc2F)cc1C#N 532342590 AHGXEQFGNGUDHQ-UHFFFAOYSA-N 293.139 3.618 30 20 CHED CCN(CC)C[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 530714329 DVQVFHVYUJGCEL-RTBURBONSA-N 299.462 3.548 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N[C@H](C#N)CC(C)C 611251576 XIWPDYWAVGYGHP-DZGCQCFKSA-N 290.432 3.612 30 20 CHED N#Cc1ccc(SCC(=O)c2cccc(Cl)c2)nc1 353721963 FXYNVPHSDKNSRH-UHFFFAOYSA-N 288.759 3.582 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1 612121430 ZZLRBFMBZKNTHH-BFYDXBDKSA-N 291.439 3.681 30 20 CHED C[C@@H]1CCC[C@H]1NCCSCc1ccccc1C#N 531785379 IBBVKYIPISIOQY-CZUORRHYSA-N 274.433 3.570 30 20 CHED CC(C)Oc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 611379104 ZDZONJNNUHSRPO-CQSZACIVSA-N 295.386 3.591 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cnc(C2CC2)s1 532151604 ZGYWGKBQPJSJJV-UHFFFAOYSA-N 291.420 3.613 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)C1 610975289 AEDRYAIYWWIOPJ-LSDHHAIUSA-N 296.414 3.880 30 20 CHED COc1ccnc2c(NCc3cccc(C#N)c3)cccc12 534316507 AJJBAOFJQZYURN-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CC(C)N(CCS[C@H]1CC[C@@H](C#N)C1)C(C)C 450898173 BBRWRMJWGXQIEP-KGLIPLIRSA-N 254.443 3.531 30 20 CHED CCCOC1(c2noc(CCCC#N)n2)CCCCC1 361253431 SGUUEEZULXEFDJ-UHFFFAOYSA-N 277.368 3.502 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cncc(F)c2)CCCC1 450442560 SSBQBZNSUJFGDG-LBPRGKRZSA-N 276.355 3.534 30 20 CHED CC1(C)CCC(C(=O)NCc2ccc(C#N)c(F)c2)CC1 456851355 XYXLJLOEXGLGDH-UHFFFAOYSA-N 288.366 3.530 30 20 CHED C=C1CCN(Cc2cc(-c3ccncc3)ccc2OC)CC1 360898332 UWSFLEOXJLAKTK-UHFFFAOYSA-N 294.398 3.909 30 20 CHED C=CCC1(C(=O)N2CC3(CCC3)[C@H]2C2CC2)CCC1 366181712 VYVBURARRFMWOF-CQSZACIVSA-N 259.393 3.524 30 20 CHED CC(C)(CC#N)CNCc1cnc(C2CCCC2)s1 459729576 KDTIFAVSTSWMKS-UHFFFAOYSA-N 277.437 3.830 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](c1ccccc1)C1CCC1 278753252 QFKDFTBQGPRAIH-INIZCTEOSA-N 270.376 3.584 30 20 CHED C=C(CNC(=O)[C@@H]1CCCCC1(F)F)c1ccccc1 451754220 IGTYVPIMIDDXDG-AWEZNQCLSA-N 279.330 3.642 30 20 CHED C=CCCC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 361289730 XPKWBPSDDANYOM-CYBMUJFWSA-N 277.339 3.510 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(CC#N)cc2)C1 544142658 BSWUUOGUVIEUKK-QGZVFWFLSA-N 256.393 3.765 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(-c2cccnc2)noc1C 368602326 JKVUITRQAIRXGD-GFCCVEGCSA-N 299.374 3.520 30 20 CHED CCOc1ccc(CNc2cccc(C#N)c2)cc1F 362641198 DDJIZSPSHQZUMN-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCCCC1 549322657 VJXJHXYVLPSKFN-UHFFFAOYSA-N 274.412 3.502 30 20 CHED CC#CCCCC(=O)N(C)[C@H]1CCCc2ccccc21 547337445 CJHBQRFLDBRVTP-KRWDZBQOSA-N 269.388 3.716 30 20 CHED C=C(C)CCNC(=O)N(CC)[C@H](C)Cc1ccsc1 459005039 QEBNRHJDXDCSHZ-CYBMUJFWSA-N 280.437 3.677 30 20 CHED CCCCCCCCc1nc(Cc2ccon2)no1 274047287 WVECMDAQXUIAKO-UHFFFAOYSA-N 263.341 3.551 30 20 CHED N#CCCN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 278836290 ZDMPANQIYSZGEV-JSGCOSHPSA-N 282.309 3.845 30 20 CHED N#CCCCNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 273319604 WVBILWIZWWFRFO-QGZVFWFLSA-N 297.402 3.542 30 20 CHED Cc1c(C#N)c(N2C[C@@H]3CCC[C@H]3C2)nc2ccccc12 450380900 SHVOHTLXUNACQK-KBPBESRZSA-N 277.371 3.651 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C)c(C(F)(F)F)c1 626383696 YLBMGJYLBFASBA-UHFFFAOYSA-N 271.282 3.662 30 20 CHED CO[C@H](CN1CCC(CC#N)CC1)c1ccc(Cl)cc1 549133735 LHMUBRVNXCPLFY-MRXNPFEDSA-N 292.810 3.653 30 20 CHED COc1ccccc1C[C@H](N[C@H]1CC[C@@H](C#N)C1)C(C)C 274646661 SCOXWTUUXPIUDV-PVAVHDDUSA-N 286.419 3.544 30 20 CHED Cc1ccnc(NCCc2c(C)cccc2C)c1C#N 543136346 BVRDWHLNEORCKC-UHFFFAOYSA-N 265.360 3.533 30 20 CHED C[C@H]1C[C@H](c2ccc(F)cc2)CN1[C@H](C)CCC#N 276285188 GNNSCROVHXTLFG-IPYPFGDCSA-N 260.356 3.696 30 20 CHED C=CCCc1nc([C@H]2CCCc3cc(OC)ccc32)no1 547251221 AKCYCADBIHBZQN-HNNXBMFYSA-N 284.359 3.665 30 20 CHED Cl/C=C\CON=Cc1csc(Br)c1 379371897 IQNKAKDCQNJPCC-QEXYBXAASA-N 280.574 3.614 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)CCc1ccccc1 466378379 LTNBMLOCMGDRQW-MRXNPFEDSA-N 274.408 3.615 30 20 CHED COc1ccccc1[C@]1(C)C[C@H]1Nc1ccc(C#N)cc1F 462879372 QQJIAMMPIGVYLJ-MSOLQXFVSA-N 296.345 3.848 30 20 CHED CC[C@@H](C)CC(=O)N(CCC#N)c1ccc(C)cc1 276865351 PUQAVNMNSVFGBE-CYBMUJFWSA-N 258.365 3.678 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1F 469775178 KESMTBJBQQEINR-LSDHHAIUSA-N 292.423 3.851 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(C#N)cc1OC)C(C)C 546004278 SAMAIQZEGMDVRB-ZDUSSCGKSA-N 274.364 3.578 30 20 CHED Cc1cccc(O[C@@H](C)CNc2cccc(F)c2C#N)c1 462911688 LQSMPKBGSSWXKT-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)OCc1ccc(C)cc1 628156548 SIDBGNMEZQXNFC-OAHLLOKOSA-N 289.419 3.761 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC1(C)C 288109259 VKLRGLZSARJRFW-INIZCTEOSA-N 299.418 3.667 30 20 CHED CC1=C(C)CN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 281046089 OHUVBLOHSMWEHM-CQSZACIVSA-N 299.374 3.551 30 20 CHED CCC[C@@]1(C)CCCN(Cc2ccccc2C#N)C1 464843737 YZVKWFVXPLKMLD-KRWDZBQOSA-N 256.393 3.960 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)NCC#Cc1cccc(F)c1 558714313 XQBZRQWCKFDIHZ-HOCLYGCPSA-N 287.378 3.510 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)c1cccc(F)c1 463342158 CJDJBRHWIDRFQM-CYBMUJFWSA-N 296.345 3.854 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H](C)C1CCC1 460775813 AQXWKKIMKFSVSV-CYBMUJFWSA-N 276.428 3.602 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)NCCCC#N 280841057 WEUQLISVJVFQBY-UHFFFAOYSA-N 273.380 3.545 30 20 CHED Cc1cc(N2CCCC2)ccc1Nc1snc(C)c1C#N 554671216 BCCVHTFGUSJYKF-UHFFFAOYSA-N 298.415 3.975 30 20 CHED Cc1ccc(CN2CCO[C@H](c3cccc(C#N)c3)C2)s1 377253786 UOBPXXPZXWWBPT-KRWDZBQOSA-N 298.411 3.502 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)c1cccc(OC)c1 281516538 WWMHUYYMOXKLEY-ZFWWWQNUSA-N 275.392 3.660 30 20 CHED C[C@@H]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)C[C@H](C)C1 462261167 UTMXGEWYUYDXLE-RBSFLKMASA-N 284.403 3.556 30 20 CHED Cc1ccc([C@H]2CCN(c3ccnc(C#N)c3)C2)c(C)c1 553567953 STPJTFHXBGLLNM-HNNXBMFYSA-N 277.371 3.564 30 20 CHED C=CCC[C@H](Nc1ccc2ccn(C)c(=O)c2c1)C1CC1 556611362 MWPPVRWAADFAAM-KRWDZBQOSA-N 282.387 3.695 30 20 CHED C[C@H](N[C@H]1CCCC12CCOCC2)c1cccc(C#N)c1 282040765 LMJFCKDLDZXMAG-YOEHRIQHSA-N 284.403 3.558 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCCCC12CCCC2 463541430 GOHXKXUALGBCEZ-AWEZNQCLSA-N 264.413 3.707 30 20 CHED C=CCC[C@H](NC[C@@](C)(OC)C1CC1)c1ccco1 462815410 CZALBZXBIPQABK-GOEBONIOSA-N 263.381 3.692 30 20 CHED CCCC[C@H](Sc1ccc(C#N)cc1F)C(=O)OC 463206118 OMXXJXNHPRQHGS-ZDUSSCGKSA-N 281.352 3.521 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 557060862 FYSGAUDVOKXRRH-YPMHNXCESA-N 283.375 3.507 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 559719798 PEJWJXMYDKEMDH-LAQRGFTBSA-N 283.415 3.899 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc2oc(C)nc2c1 280205405 ZRQOQRONPLRDEL-UHFFFAOYSA-N 299.374 3.681 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(-c2cnc[nH]2)cc1 632310652 XWJPDXIPRBCVKW-ZDUSSCGKSA-N 283.375 3.551 30 20 CHED CO[C@@H](C1CC1)[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 388359429 RYTSFGUBSZIDQG-LKFCYVNXSA-N 298.308 3.802 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@H]1CC 806003765 YSOCMYDZDJAPTO-AWEZNQCLSA-N 252.402 3.707 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccccc1SC(F)F 806152513 XHCRORINLAKRQB-JTQLQIEISA-N 298.358 3.925 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)CCCC#N)s1 297682305 GTLSFCJOXKNGDL-UHFFFAOYSA-N 275.377 3.550 30 20 CHED CCCCC[C@@H](C)CC(=O)Nc1n[nH]c(C2CC2)c1C#N 807699121 JFSLZMINSPGASK-LLVKDONJSA-N 288.395 3.704 30 20 CHED Cc1ccnc(N[C@@H]2C[C@@H](C)Oc3ccccc32)c1C#N 296440728 ZKLJUSRPOKCNKK-IUODEOHRSA-N 279.343 3.586 30 20 CHED CSC1(C=NNc2ccc([N+](=O)[O-])cc2C)CCC1 807990095 TZVFOPYLVFTYEA-UHFFFAOYSA-N 279.365 3.587 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccccc1OCC 472836149 TVDFGRXCWILCOR-UHFFFAOYSA-N 290.407 3.583 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1cccc(F)c1F 294428445 FQVUKZYYFDYQRY-SNVBAGLBSA-N 267.319 3.744 30 20 CHED Cc1cccc([C@@H](NCCO[C@H](C)C#N)C(C)(C)C)c1 801938696 HULTXKUJYZTMAM-GDBMZVCRSA-N 274.408 3.601 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCO[C@@H](CC)C2)CCCC1(C)C 470295405 DWEUTCQXWVSCBD-PMPSAXMXSA-N 293.451 3.785 30 20 CHED C=CCCC1(C(=O)N2CC=C(c3ccccc3C)C2)CC1 476639004 XIMGPINSKGQRAL-UHFFFAOYSA-N 281.399 3.967 30 20 CHED C#C[C@@H](NCc1c[nH]nc1-c1cccc(C)c1)C(C)(C)C 809782533 XDZGOJBTIFVDTG-MRXNPFEDSA-N 281.403 3.523 30 20 CHED CCC(=NN[C@@H]1CCSC1)c1cc(Cl)ccc1OC 808003097 TXSZKMSMTNPZMC-LLVKDONJSA-N 298.839 3.558 30 20 CHED C=C(C)[C@@H](Nc1ncc(F)cn1)c1ccc(F)c(F)c1 475724883 MDLDWVKSEPLACJ-CYBMUJFWSA-N 279.265 3.623 30 20 CHED C#Cc1ccc(CNc2ccc(Cl)c(NC(C)=O)c2)cc1 809598919 XSOVSAVKNFRTSM-UHFFFAOYSA-N 298.773 3.892 30 20 CHED C#Cc1ccc(CN(C)[C@@H](C)c2cccs2)cc1 809547452 NOYZCSSGZHUYGF-ZDUSSCGKSA-N 255.386 3.922 30 20 CHED CC[C@@H](SC)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297750048 LESLMZSJMCBDIM-SNVBAGLBSA-N 296.461 3.997 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(OCCC)cc1 569308566 SVPQLRGUOASWRJ-SJLPKXTDSA-N 289.419 3.546 30 20 CHED CC[C@H](CC#N)OC(=O)C1(c2c(F)cccc2F)CCC1 817730076 KSTUSCHSLHTFAT-LLVKDONJSA-N 293.313 3.622 30 20 CHED Oc1ccc(C2CCC(=NO[C@@H]3CCCCO3)CC2)cc1 814886803 DIADOOPHQQYUGR-LRHAYUFXSA-N 289.375 3.949 30 20 CHED CC(=O)c1ccc(OCc2ccc(CC#N)cc2)c(F)c1 399052185 XTKGCIIFQVUBGI-UHFFFAOYSA-N 283.302 3.673 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1sc(C)c(C)c1C 489477027 NOFLZYMPGREUIP-AWEZNQCLSA-N 292.448 3.652 30 20 CHED Oc1ccc(/C=N\Cc2ccc3sccc3c2)c(O)c1O 811624573 JFNNDLPDCYAUEV-MFOYZWKCSA-N 299.351 3.637 30 20 CHED CC[C@@H](NCCSCC(C)C)c1ccc(C#N)cc1 565487854 ATWYCQFISLLQFK-MRXNPFEDSA-N 276.449 3.988 30 20 CHED Cc1ccccc1CNc1nc2cc(Cl)ccn2c1C#N 560111226 ZHCYWZDNEBBNKT-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C[C@H](C=NNCc1ccc(C#N)cc1)C1CCCCC1 814881662 UJOJGTBYMSVSBS-CQSZACIVSA-N 269.392 3.850 30 20 CHED C=C(CC)CNC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 653269980 LIUBFJJXGPDQSF-UHFFFAOYSA-N 297.402 3.510 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(C#N)c(C)n2)C1 488089898 PSUYYSZTCMZPCW-RHSMWYFYSA-N 291.398 3.953 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H]2c2cccc(OCC)c2)CCC1 480629054 BMHPQULAFXAWSZ-IRXDYDNUSA-N 299.414 3.804 30 20 CHED CCCCCCCN1C(=O)O[C@@](C)(c2ccccc2)C1=O 810025010 UXDKZHWJBFXJRU-KRWDZBQOSA-N 289.375 3.851 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)c1nccs1 814863687 XPSAPCSTVZWMMP-UHFFFAOYSA-N 293.395 3.934 30 20 CHED COc1ccc(C[C@@H](C)C=NOC/C=C/Cl)cc1F 811671850 LBVOAIQDPMRQSB-SVNXAINPSA-N 285.746 3.768 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C#N)oc1C 810771459 UERATTCUAGKGHE-UHFFFAOYSA-N 274.364 3.716 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)O[C@H](C)C1 577267421 JNBUEEZOGUNBIZ-ATLSCFEFSA-N 273.420 3.719 30 20 CHED CCCOc1cc(C=NOCCC2CC2)ccc1OC 814245216 LHTBNEMENGQWPQ-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C=C(C)CN(CC)C(=O)COc1cccc(C(C)(C)C)c1 650808894 QLBPEVNEIOGHCM-UHFFFAOYSA-N 289.419 3.788 30 20 CHED C=C(C)CN(C)Cc1nc(-c2ccccc2)oc1C 481256200 LQEDCPBFQHCQHZ-UHFFFAOYSA-N 256.349 3.658 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3ccc(C#N)cn3)C2)cc1 486481152 SFTFBCFUNSECJV-RHSMWYFYSA-N 277.371 3.644 30 20 CHED C[C@H]1SCCC1=NNc1ccc(C#N)cc1C(F)(F)F 814923221 CCAGIMXTGMUNDO-MRVPVSSYSA-N 299.321 3.870 30 20 CHED C/C=C(/C=C/C(=O)N[C@H](C#N)c1ccc(CC)cc1)CC 813677978 KSURXWMPRAKDBY-BCJISMGPSA-N 282.387 3.842 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccccc1C(C)(C)C#N 815311103 XZZKEJPDADXCAK-UHFFFAOYSA-N 293.313 3.742 30 20 CHED Cc1cccc(NN=Cc2cn[nH]c2-c2ccc(F)cc2)c1 812374780 MDYKVMCIYUVXOJ-UHFFFAOYSA-N 294.333 3.970 30 20 CHED C/C(=C\C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 728180781 FETZCDYDXOZUHM-FMIVXFBMSA-N 280.302 3.739 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)C1(c2ccccc2)CCCC1 481847972 QRSSGJHNVYNALE-FUHWJXTLSA-N 287.447 3.804 30 20 CHED CCC#C[C@H](C)N1CCC(OC2CCCCC2)CC1 656569005 QNGBHBHEGYIMKF-HNNXBMFYSA-N 263.425 3.602 30 20 CHED COc1cccc2c1CCCN2Cc1ccc(C#N)cc1 577000730 OLKSYNGWEWVKRZ-UHFFFAOYSA-N 278.355 3.520 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 819938080 PHASQTHSMFQAOG-FRRDWIJNSA-N 281.359 3.565 30 20 CHED CC(C)(C)Oc1ccc(NCc2cscn2)cc1C#N 824723015 ZMTXLDXWZGEDRF-UHFFFAOYSA-N 287.388 3.804 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 576486084 AYEFMNLBJOYVNL-UHFFFAOYSA-N 273.376 3.941 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCc1cccc(Cl)c1 494185134 HRBQJFZLNHJNCX-HNNXBMFYSA-N 292.810 3.633 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc(F)cc1O 727777765 UPQIFFZQELVYIC-UHFFFAOYSA-N 272.323 3.984 30 20 CHED CC(C)CC=NNc1ccc([N+](=O)[O-])cc1Cl 727649409 GTUVUOLUZSKPTC-UHFFFAOYSA-N 255.705 3.692 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@@H](C)C[C@H]1CC 579410801 YERBJTNHLWSIGK-DZGCQCFKSA-N 288.439 3.747 30 20 CHED C#CCCOc1ccc(C(=O)N(C)C[C@H]2CC=CCC2)cc1 828287554 YANFVPVHCKDPIG-INIZCTEOSA-N 297.398 3.517 30 20 CHED C=CCCOC(=O)/C=C\c1ccccc1OC(F)(F)F 729072841 YZAONYSVQOSKAA-HJWRWDBZSA-N 286.249 3.718 30 20 CHED C=CCCNC(=O)Nc1ccccc1N1CCCCCC1 665438770 OHYYXXBKXQKUTM-UHFFFAOYSA-N 287.407 3.765 30 20 CHED C=C(C)CCNC(=O)/C=C\c1cnc(C(C)(C)C)s1 493155229 CNLFTJZTYGSRHF-SREVYHEPSA-N 278.421 3.536 30 20 CHED C#Cc1cccc(N(C)C(=O)CC[C@@H]2CC2(Cl)Cl)c1 825980097 QWYHVSISQXNFQZ-GFCCVEGCSA-N 296.197 3.605 30 20 CHED Cc1cccc(NC(=S)NN=C2CCC[C@H]2C)c1C 729140459 IDWRCGVQAKMLKJ-LLVKDONJSA-N 275.421 3.766 30 20 CHED Cc1cc(-c2ccc(F)c(C[C@H](C#N)CO)c2)cs1 904752890 OCTDXWQLMBVXPS-LLVKDONJSA-N 275.348 3.537 30 20 CHED C#CCOc1cccc(NC(=O)C[C@H](C)CC(C)C)c1 730977640 KDIOZMPZVBQRAI-CQSZACIVSA-N 273.376 3.709 30 20 CHED C=CCC[C@@H](N[C@H](C)CC(C)(C)c1ccccc1)C(=O)O 901690657 RSPSCUQYILFFIU-GDBMZVCRSA-N 289.419 3.752 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(Cl)cc1C 905512064 WIRJWGANDHOAIU-LBPRGKRZSA-N 266.772 3.863 30 20 CHED C=CC[C@@H](C)NC(=S)NC[C@H](CC)CCCC 734985417 DSAVYKFZKMZVLE-CHWSQXEVSA-N 256.459 3.632 30 20 CHED C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@H]2CCCC[C@@H]21 733610169 OOZUXKMTMAZJMJ-LZQZEXGQSA-N 298.430 3.990 30 20 CHED CCN(CC)c1ccc(/C=C2/C(=O)c3nccn3[C@@H]2C)cc1 901560001 DATALLOBNYSTRJ-MLDYKZIASA-N 295.386 3.570 30 20 CHED N#Cc1ccc(N2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 583097230 YATDMIQLWBETFQ-QGZVFWFLSA-N 298.773 3.869 30 20 CHED CCOc1ccc(/C=N\CC2(c3ccccc3)CC2)c(O)c1 839386659 UONDEVNPOWDYLF-MOSHPQCFSA-N 295.382 3.942 30 20 CHED N#CCCCCCc1nc(-c2ccc(F)cc2)no1 588320719 LOXBJPLYDQKCTA-UHFFFAOYSA-N 259.284 3.502 30 20 CHED CC(C)CN(CCC#N)C(=O)/C=C/C1CCCCC1 735466807 NLEOZIHTIZSDBG-MDZDMXLPSA-N 262.397 3.521 30 20 CHED CCCSCC(C)=NNc1cnc2ccccc2n1 901181837 IBHWKTGDXAORQC-UHFFFAOYSA-N 274.393 3.561 30 20 CHED C=CCCCCCN(C)c1nc(C2CCOCC2)ns1 663648753 GYQSEDPHBJNDAR-UHFFFAOYSA-N 295.452 3.615 30 20 CHED CCN(Cc1ccc(C#N)cc1C)[C@@H]1CCOC(C)(C)C1 589274685 PGDJWPWQNGMZEJ-QGZVFWFLSA-N 286.419 3.646 30 20 CHED CCn1nnc(C)c1/C=C/C(=O)c1ccc(CC(C)C)cc1 834405160 PJYGYNYDSOYVDM-ZHACJKMWSA-N 297.402 3.701 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@H]2CCC(C)(C)C2)cc1 831009636 AKKUEKLTUWUDAZ-INIZCTEOSA-N 299.414 3.739 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc3ccncc3n2)n1 582414951 FMNLDYOYLKCIDG-UHFFFAOYSA-N 280.331 3.534 30 20 CHED CCC(CC)[C@@H]1C[C@H](Nc2snc(C)c2C#N)CCO1 588013243 HISVAZIEGAWIFF-OCCSQVGLSA-N 293.436 3.719 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCSc2ccccc2)C1 839058675 TVJXEOAJRZPJOS-KBPBESRZSA-N 289.400 3.794 30 20 CHED C[C@]1(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)CC=CCC1 835348914 QFQTWPJDBCGMRS-UGSOOPFHSA-N 291.354 3.552 30 20 CHED Oc1nncc(NN=C2CCCC23CCCCC3)c1Cl 834938259 YBOXYWXSXQMYHO-UHFFFAOYSA-N 294.786 3.738 30 20 CHED Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(C#N)o1 839329173 RCFLQPVASFKLPT-UHFFFAOYSA-N 298.367 3.602 30 20 CHED C=CCC1(C(=O)OCc2ncc(CC)o2)CCCCC1 838154264 QTUNOTSWDQGVHY-UHFFFAOYSA-N 277.364 3.807 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)C#CC(C)(C)C)cc1 837333653 LSGWSFRZFPWOMQ-CQSZACIVSA-N 257.377 3.564 30 20 CHED Cc1ccccc1C[C@@H](C)/N=C\c1ccccc1O 917557163 ZQILPHYCZORLJZ-IIMQCXAKSA-N 253.345 3.751 30 20 CHED COc1ccc(NN=C(C)CCCc2cccnc2)cc1 834965665 GLFYQZZZCULPQA-UHFFFAOYSA-N 283.375 3.901 30 20 CHED CC(C)[C@@H](C#N)c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 596636598 CITUKUTXZGRYSI-OAHLLOKOSA-N 281.315 3.920 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1cccc(Cn2ccnc2)c1 835336683 LAGTUMIUIXVARQ-SFHVURJKSA-N 298.386 3.691 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](C)c2ccc(C#N)cc2)c1 915113186 QFYZBQSIKCXJIZ-RQZLXBNYSA-N 294.354 3.843 30 20 CHED CCOc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 596859805 PWIAUIJFDYXQON-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C=C(CNc1nc2ccccc2o1)c1ccccc1 673461807 XPUTVBORDQWXEL-UHFFFAOYSA-N 250.301 3.953 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@@H](C)[C@@H]1C)c1ccncc1 745826152 QVHHTCKHGBWTQW-YCPHGPKFSA-N 287.407 3.529 30 20 CHED Cc1ccc(C=NNc2ccc(Cl)nc2)c(C)c1 743450113 LQVIQKUGRLNNAO-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C[C@@H](CN1CCC[C@@H](CC#N)C1)c1cc(F)cc(F)c1 597176688 JGYBAHUCIOKDET-STQMWFEESA-N 278.346 3.694 30 20 CHED CCCNN=Cc1cc(Br)ccc1OCCC 915966013 UUFQCDPUQDAMMV-UHFFFAOYSA-N 299.212 3.571 30 20 CHED C=C(C)CCOC(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 744299955 MAIBHHQLVKSPEO-KKUMJFAQSA-N 268.397 3.870 30 20 CHED C#CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 915304472 VKOCGPXASMETMH-UHFFFAOYSA-N 278.315 3.857 30 20 CHED CCCn1ncc(N[C@@H]2CCC[C@H](C#N)C2)c1C1CC1 590655924 UDQCYIGFOIWFKP-GXTWGEPZSA-N 272.396 3.665 30 20 CHED C=CCCCOC(=O)Cc1c(C)nc([C@H](C)CC)nc1C 847655211 AIXYGZKLIBTGDL-GFCCVEGCSA-N 290.407 3.659 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(OC(C)C)cc1Cl 593636520 MOJUEDKWPSCPHK-JTQLQIEISA-N 280.755 3.615 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2sc(C)c(C)c2C#N)o1 744353221 VWGYZTCQDUDGAS-SNVBAGLBSA-N 288.372 3.880 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccnc1C(F)(F)F 599296615 DCUHZVIVKYPRAJ-UHFFFAOYSA-N 299.340 3.862 30 20 CHED CNC(=O)c1ccc(/C=C\C(=O)c2ccccc2Cl)cc1 912773386 NYFLXUXWCLUELS-FLIBITNWSA-N 299.757 3.596 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c1 590859750 VXNAEPCFMNAYBT-HOTGVXAUSA-N 297.402 3.909 30 20 CHED CC(C)CC1(N[C@@H]2CCc3ccc(C#N)cc32)CC1 595096240 WYNLCLWQTCGASD-MRXNPFEDSA-N 254.377 3.714 30 20 CHED N#CC1(N(C(=O)c2ccc(C3CC3)cc2)C2CC2)CCC1 598830388 AIHYYRYLACMBRP-UHFFFAOYSA-N 280.371 3.615 30 20 CHED CCCC(C)(C)C(=O)OCc1cc(C#N)ccc1F 844419683 PQJHAOCNCUXOQR-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C[C@@H](N[C@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)cc1 595081948 UTXRPPOIWCIJSV-QAPCUYQASA-N 297.446 3.616 30 20 CHED C=C(C)CNC(=O)Nc1cc(C)cc(C(F)(F)F)c1 683088778 DJZGDQYKBTXCAU-UHFFFAOYSA-N 272.270 3.711 30 20 CHED Cc1cc(/C=C2/Oc3ccccc3C2=O)cc(C)c1O 742436315 JRUQFVILRCRADJ-OQLLNIDSSA-N 266.296 3.625 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(C(F)F)nc1 595015314 SIHXJRKQXIGPIT-JTQLQIEISA-N 272.364 3.589 30 20 CHED N#CCC1(COc2cccc(OCC(F)(F)F)c2)CC1 596255678 XIBQTOKHJZQSGB-UHFFFAOYSA-N 285.265 3.700 30 20 CHED Cc1cc(C#N)ccc1CN1CCSC[C@H]1C1CCC1 591378619 GPSBJDMKGDJKRZ-KRWDZBQOSA-N 286.444 3.584 30 20 CHED CCN(CCc1cccs1)[C@H](C#N)c1ccccc1 595297418 SYCQDIHOAKCLRJ-MRXNPFEDSA-N 270.401 3.877 30 20 CHED O=C1/C(=C/c2ccc3ncccc3c2)Oc2ccc(F)cc21 749745927 HNRSJZVPZATKCF-MFOYZWKCSA-N 291.281 3.990 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)c(N(C)C)c1 928714418 BPIYOXHXIRXPNF-UHFFFAOYSA-N 293.798 3.674 30 20 CHED COc1ccc(/C=C2\COc3c(C)cccc3C2=O)cc1F 920066500 DMFPOZATSRUQKC-MDWZMJQESA-N 298.313 3.801 30 20 CHED CCCCCCCOC(=O)c1c(C)cc(C)nc1O 755625227 WMWQOMXSJPJSEA-UHFFFAOYSA-N 265.353 3.531 30 20 CHED C[C@H]1CCCCN1N=Cc1cccc(F)c1OC(F)F 853383854 GTBSVTORUITNSV-JTQLQIEISA-N 286.297 3.635 30 20 CHED C#CC[C@H](Nc1ccnc(Cl)c1)c1ccccc1 756957673 ZCPHYWWDXJAGMF-AWEZNQCLSA-N 256.736 3.912 30 20 CHED N#CC1(C(=O)OCc2ccc(Cl)s2)CCCCC1 920223683 LCEXJFTWXIDTMR-UHFFFAOYSA-N 283.780 3.919 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C)CCC 681591296 KCIHAPTWRQQTDI-LBPRGKRZSA-N 263.406 3.883 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(-n2ccnc2)cc1 750938765 OFORDHHVOHRGOE-UHFFFAOYSA-N 294.333 3.766 30 20 CHED CC(C)c1nc(C(=O)O[C@@H](C)CC(C)(C)C#N)cs1 851210972 XBAUFYDMEXXNKW-JTQLQIEISA-N 280.393 3.752 30 20 CHED C=CCCONC(=O)[C@H](C)c1c(Cl)cccc1Cl 856031179 GIORNEUAARBVHL-SECBINFHSA-N 288.174 3.721 30 20 CHED Cc1cccc(OCCON=Cc2ccc(F)cc2)c1 852155451 IBNZTWMZJQILBB-UHFFFAOYSA-N 273.307 3.564 30 20 CHED Cc1ccc(C(=O)/C=C\c2ncc(Cl)n2C)cc1C 752890789 XIVVYOGPGIEKGI-SREVYHEPSA-N 274.751 3.586 30 20 CHED C(=NNC1CCCC1)c1cnc(-c2cccs2)s1 751525516 HFHMMDUFXDUFCB-UHFFFAOYSA-N 277.418 3.738 30 20 CHED CCC1(C)CCC(=NNc2ncc(Cl)cn2)CC1 857223814 ZULUYXBUYKASLA-UHFFFAOYSA-N 266.776 3.888 30 20 CHED COc1cccc(/C=N\[C@H](C)Cc2ccccc2F)c1O 920174135 YMCUKNAAHHELDV-ZDFPAGSVSA-N 287.334 3.590 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 753040990 WBDSKUYAOCRYJA-KOLCDFICSA-N 299.201 3.765 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccccc1 757761856 OVSNCUMOALXEIV-HOCLYGCPSA-N 284.403 3.581 30 20 CHED C=CCCONC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 856032557 QSZITUCXCNYJPR-IRXDYDNUSA-N 281.355 3.567 30 20 CHED C#CC[C@H](Nc1nc(C)c(C)s1)c1ccccc1 756952838 CWUXKSKKYVQKOJ-AWEZNQCLSA-N 256.374 3.936 30 20 CHED CCc1ccc(CCC=NNc2cncc(Cl)n2)cc1 758105472 VNOSRNAOKIVSKP-UHFFFAOYSA-N 288.782 3.723 30 20 CHED CC(C)(C)Oc1ccc(C(=O)OCCCCC#N)cc1 750970592 QBPSAKIFFDIJDW-UHFFFAOYSA-N 275.348 3.715 30 20 CHED CC#CCCCCOC(=O)CC1(C#N)CCCCC1 850955347 PJZZAIGXIZAXCO-UHFFFAOYSA-N 261.365 3.587 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1cccc(C)c1C 756842386 PCQBMEDFKWFUJQ-UHFFFAOYSA-N 273.767 3.610 30 20 CHED Cc1cc(F)ccc1C=NNc1ncnc2sccc12 750934927 KVNVORQYIIZEHI-UHFFFAOYSA-N 286.335 3.585 30 20 CHED CCO[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccccc1 851210976 XDNPMJISACORBZ-DZGCQCFKSA-N 289.375 3.636 30 20 CHED CN(Cn1ccc(-c2ccccc2)n1)c1ccc(C#N)cc1 754757854 DXXUUAJVCKJTTA-UHFFFAOYSA-N 288.354 3.516 30 20 CHED CCc1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1 757468771 WXGIUWVSAJJDRR-CLFYSBASSA-N 268.312 3.556 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@](C)(O)c1cccc(Cl)c1 765676788 AALLBUIPGJOZFF-ZENOOKHLSA-N 281.827 3.738 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(F)cc2ccoc12 935698387 QNFMHSZKDMKQBK-ZDUSSCGKSA-N 273.307 3.753 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N[C@@](C)(C#N)CC(C)C 931302365 HVCPBAMJRODJQQ-RHSMWYFYSA-N 272.392 3.543 30 20 CHED C=CC[C@@H](OC(=O)[C@@H](OCC)C1CC1)c1ccccc1 860678240 XBDVFOJOHIAYKD-CVEARBPZSA-N 274.360 3.662 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1occc1C 767785084 ITICSTNPLXIOCL-UHFFFAOYSA-N 273.292 3.641 30 20 CHED FC(F)(F)CNN=C1CCC[C@H]1Cc1ccccc1 769810981 UMBGKEMLFFZSGB-LBPRGKRZSA-N 270.298 3.537 30 20 CHED C=C1CN(C(=O)Nc2ccccc2OCCC(C)C)C1 931853307 DKZLFLXLSNFNPC-UHFFFAOYSA-N 274.364 3.515 30 20 CHED C#CC[C@H](CCOC)NC(=O)[C@@H](CC)CC1CCCCC1 863786512 BOOMUDIVVVKCGR-DLBZAZTESA-N 293.451 3.528 30 20 CHED Cc1cc(F)ccc1NN=Cc1cn(C)nc1C(C)(C)C 769585776 PIFXRWBAEVRUGT-UHFFFAOYSA-N 288.370 3.611 30 20 CHED CCCCOc1ccc(C=NOC(C)C)cc1OC 761854984 LXCHDRYFYULZOC-UHFFFAOYSA-N 265.353 3.633 30 20 CHED C=C(Br)COC(=O)[C@H](c1ccccc1)C1CC1 766199324 RHSOKKQAPGWKAS-CYBMUJFWSA-N 295.176 3.632 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1cccc(C)n1 863161950 MPRSFJKIONEXSB-UHFFFAOYSA-N 271.339 3.950 30 20 CHED Cc1ccc([C@H](C)C=NNc2nc(C)cc(C)n2)cc1 863063099 MJARGTMGQNCXOR-GFCCVEGCSA-N 268.364 3.603 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1ccc(C)o1 764774547 BLLWESNTQSAROB-UHFFFAOYSA-N 279.343 3.650 30 20 CHED N#CCN(Cc1ccccc1-c1ccccc1)C1CC1 769102602 PUWHQLKZLDFCAN-UHFFFAOYSA-N 262.356 3.842 30 20 CHED C#CCN(C(=O)N[C@H](CC1CCC1)c1ccccc1)C1CC1 764739749 WIQQYLKCVYLGFY-GOSISDBHSA-N 296.414 3.725 30 20 CHED C=CCN(Cc1nnc(-c2ccccc2)s1)C(C)C 766757895 NZWQXOFZNVDKQH-UHFFFAOYSA-N 273.405 3.602 30 20 CHED C#CCCc1noc(-c2ccc(Oc3ccccc3)o2)n1 762010012 YXOBEYKVJULJLN-UHFFFAOYSA-N 280.283 3.688 30 20 CHED CCCCCCCCCC(=O)Nc1cc(C)c(=O)n(C)c1 768399788 YERIHTJBXAXVNP-UHFFFAOYSA-N 292.423 3.773 30 20 CHED CCc1ccc(C=NNc2cc(F)c(F)c(F)c2)o1 760260278 MHZREGBSUYHBFY-UHFFFAOYSA-N 268.238 3.705 30 20 CHED C#CCOc1ccc(CN[C@H](CC)CC(F)(F)F)cc1 760650927 KYMSXTVAQUYZGO-CYBMUJFWSA-N 285.309 3.519 30 20 CHED CCCCC[C@@H](CC)C(=O)OCc1ccc(C#N)cn1 1116793650 ZMDLNOHKYFMFFI-CQSZACIVSA-N 274.364 3.603 30 20 CHED CC(C)(C)CC(=NNc1ccc(C#N)cn1)C1CC1 1119363745 ULOXWYSVIKITBD-UHFFFAOYSA-N 256.353 3.567 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NCc1ccc(OCC#N)cc1 772960343 RKDRLNYJRJSNFL-YOEHRIQHSA-N 286.419 3.893 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)OC1CCCCC1 1116279064 HAUZRRMTTWTGHW-CQSZACIVSA-N 294.439 3.703 30 20 CHED C=CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 776156941 MVFNCAQRJCKUEJ-KSSFIOAISA-N 277.371 3.921 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1cncc(Cl)n1 773190010 LYVDMQIERWWPMR-QWRGUYRKSA-N 264.760 3.520 30 20 CHED COCCC(=NOCCC(F)(F)F)c1ccc(F)cc1 777458745 BNSUZPVHEPWYHE-UHFFFAOYSA-N 293.260 3.535 30 20 CHED Cc1ccc(NC(=O)Cc2ccccc2CC#N)cc1Cl 776727638 JFXCCELOQKNNJS-UHFFFAOYSA-N 298.773 3.896 30 20 CHED CC(C)Oc1ccc(NCCC(F)(F)F)cc1C#N 771879924 GMRNSVIWLMAVNW-UHFFFAOYSA-N 272.270 3.710 30 20 CHED CC(C)c1nc(C(=O)O[C@@H](C#N)C2CCCCC2)cs1 776381038 CFFJQBXTPVZOOZ-ZDUSSCGKSA-N 292.404 3.896 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cn1 772648032 ACHOREIEHMFBLI-ZDUSSCGKSA-N 294.354 3.995 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(OC)c(F)c1 776193513 ZRIWKJBNXGJLMP-XQRVVYSFSA-N 285.318 3.688 30 20 CHED C/C=C(/C=C/C(=O)OCc1cccc(C#N)c1F)CC 774974458 RPNPILVUNUPMEK-FNAOXXECSA-N 273.307 3.653 30 20 CHED C#Cc1cccc(NC(=O)Nc2cc(C)n([C@@H](C)CC)n2)c1 775472984 KYIYJWPRIFETBO-LBPRGKRZSA-N 296.374 3.788 30 20 CHED C#CCOc1ccc(CNc2cnn(CCCC)c2C)cc1 774823510 NOWCBWAAWBIQQK-UHFFFAOYSA-N 297.402 3.616 30 20 CHED C=C(CC)COC(=O)c1csc(-c2ccc(C)n2C)n1 773542301 UXOGZWHLEQZFOD-UHFFFAOYSA-N 290.388 3.580 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCC[C@H]2SCC)CC1 889350695 JSVMLUZNECMCLX-UONOGXRCSA-N 267.438 3.523 30 20 CHED Cc1cscc1-c1noc(Cc2ccccc2CC#N)n1 771526912 QWOVGPKKEHTSAG-UHFFFAOYSA-N 295.367 3.763 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1ccc(F)cc1C#N 1126777418 DSQUFVAEOMBQGC-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C=CCC[C@@H](C(=O)OCC[C@H]1CCCO1)c1ccccc1 778666071 KDFSTCUTSPRYES-IAGOWNOFSA-N 288.387 3.849 30 20 CHED CC(CCn1cccn1)=NNc1ccc(C(F)(F)F)cc1 776776462 LOSSISYKCLEMOO-UHFFFAOYSA-N 296.296 3.780 30 20 CHED C=C(CC)COC(=O)c1cncc(-c2ccc(OC)cc2)c1 773530031 LQFVNTXGNTUWKC-UHFFFAOYSA-N 297.354 3.880 30 20 CHED C#CC[C@@H](NCc1ccc(C)c(OC)c1)c1ccccc1 774995343 BLJTWHWYFVEPDW-GOSISDBHSA-N 279.383 3.858 30 20 CHED Brc1ccc(C=NOC2CCCCC2)cn1 777457931 CIIWDSPJEVNQFL-UHFFFAOYSA-N 283.169 3.527 30 20 CHED CC[C@@H]1CCCCN1C(=O)Nc1cc(C#N)c(F)cc1F 880716752 SRJZQEDTHOCZMA-LLVKDONJSA-N 293.317 3.633 30 20 CHED CC(=NOC1CCCCC1)c1ccc(C(=O)O)c(F)c1 777456833 HUHOQHNWKHQBLP-UHFFFAOYSA-N 279.311 3.597 30 20 CHED C=C(CC)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 1123808510 DTFUEUKJPMPNJJ-UHFFFAOYSA-N 257.333 3.500 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1cccc(OC(C)C)c1 781669165 CHDCLRRHPDWYEG-AWEZNQCLSA-N 292.375 3.671 30 20 CHED C(=Nn1cnc2ccccc21)c1cnc(-c2ccco2)s1 782186047 VFDSABAWWLZOOJ-UHFFFAOYSA-N 294.339 3.635 30 20 CHED Fc1cc(F)c(NN=Cc2scnc2C2CC2)cc1F 782233336 ZOIXSUSKMBYDKA-UHFFFAOYSA-N 297.305 3.884 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N(C)C[C@@H](C)C#N 780449072 SXRIGVMYFIBPCS-DZGCQCFKSA-N 252.402 3.601 30 20 CHED CSc1ccc(C)c(C(=O)OCC2(C#N)CCCC2)c1 780534506 UGDRCENYNIEOKX-UHFFFAOYSA-N 289.400 3.958 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2cncs2)c1 787172926 RVYHZKVAAKBOSL-SREVYHEPSA-N 271.341 3.604 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1cncs1 783878559 XLSUNIOXSLCVBR-UHFFFAOYSA-N 276.752 3.504 30 20 CHED Cc1ccc(/C=C2/COc3c(F)ccc(F)c3C2=O)s1 783715604 ZEWZQJOQSBOIFO-TWGQIWQCSA-N 292.306 3.993 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc2ccccc2c1 785617620 QLVHTTFIHGGWEZ-FQEVSTJZSA-N 299.377 3.884 30 20 CHED CCC1(C=NNc2nccc3sccc23)CCOCC1 781122418 JDGKYKHUPKGYNT-UHFFFAOYSA-N 289.404 3.901 30 20 CHED Cc1cccc2c1OCC[C@H]2OC(=O)c1ccc(C#N)s1 789486752 NTQGUAYSSPEODU-CYBMUJFWSA-N 299.351 3.609 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](C)C#N)cc1Cl 786390055 GFHMUNKZGUWEBF-VIFPVBQESA-N 251.713 3.532 30 20 CHED O=C(/C=C/c1cnc(C2CCC2)s1)c1cncs1 787170712 AKSRDAUOLVAMKD-SNAWJCMRSA-N 276.386 3.763 30 20 CHED N#CC1(COC(=O)Cn2ccc3ccccc32)CCCCC1 780488770 WEPBSPBCFPKORJ-UHFFFAOYSA-N 296.370 3.659 30 20 CHED Cc1cc(C#N)ccc1N[C@@H](C)C[C@@H](O)c1cccs1 1120033823 UDSDGMLAEJKGIJ-SWLSCSKDSA-N 286.400 3.852 30 20 CHED C=C(C)CCC(=O)O[C@@H](CC)c1ccc(F)cn1 1122990201 VJEAEIUOBNFBGQ-ZDUSSCGKSA-N 251.301 3.571 30 20 CHED O=C(NO)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 783377859 HZBPCCCBOXWZRQ-UHFFFAOYSA-N 297.232 3.617 30 20 CHED COC(=O)[C@H](C)c1cccc(N[C@H](C)CC(C)(C)C#N)c1 894903052 PHPZMHUVQGYLAR-CHWSQXEVSA-N 288.391 3.703 30 20 CHED Cc1cc(C)c2cc(NC(=O)C3(C#N)CCCC3)ccc2n1 895062499 LAZHINMIYLYHRQ-UHFFFAOYSA-N 293.370 3.874 30 20 CHED CCc1ccc(C(C)=NNc2cccc(Cl)n2)o1 793173792 CIYQDJAPZYVLPH-UHFFFAOYSA-N 263.728 3.727 30 20 CHED C=C(C)CN(CC)Cc1cc(F)ccc1Br 303260236 PCWUMDQZKINVSP-UHFFFAOYSA-N 286.188 3.986 30 20 CHED C[C@@H](C#N)CNN=C1CC(C)(C)CCc2ccccc21 797786003 CDGMKKCWTFKINY-ZDUSSCGKSA-N 269.392 3.502 30 20 CHED C=C1CCC(C(=O)NCCc2ccc3[nH]ccc3c2)CC1 897663207 BDUILQOYDGHQOV-UHFFFAOYSA-N 282.387 3.573 30 20 CHED Fc1cccnc1NN=C1CCC[C@H](c2cccnc2)C1 794990707 NLFDUIODFIEEKN-LBPRGKRZSA-N 284.338 3.741 30 20 CHED C[C@@]1(C=NNc2c(F)cccc2F)CCCS1 793015200 GMJQWGIANAYTKI-LBPRGKRZSA-N 256.321 3.648 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc(Cl)c(Cl)c1 796842265 YDSPMAOFPOZIKD-ZDUSSCGKSA-N 286.158 3.976 30 20 CHED CCCCC(=NNc1ncncc1F)c1ccccc1 793226387 RTGFZQVDIFBSOO-UHFFFAOYSA-N 272.327 3.622 30 20 CHED CSCCON=C(Cc1ccc(C)cc1)C(C)C 794577596 XGNDMPYODBEFGA-UHFFFAOYSA-N 265.422 3.929 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C1=CC[C@@H](C)CC1 1136679596 WCZJCGAVVYINHB-CQSZACIVSA-N 276.424 3.911 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccnn1C(C)C 794942980 UHJGOOWBWDSTIM-ALCCZGGFSA-N 272.323 3.808 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1oc2ccccc2c1C 794699876 UJBPHCPNASBMDH-CMDGGOBGSA-N 280.327 3.679 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2-c2ccc(F)cc2)o1 794937000 DRZPEGJNQMXONY-BQYQJAHWSA-N 296.301 3.809 30 20 CHED C[C@H](C#N)CNN=C1CC(C)(C)CCc2ccccc21 797786002 CDGMKKCWTFKINY-CYBMUJFWSA-N 269.392 3.502 30 20 CHED CC1(C)C[C@@H](OC(=O)C2(C#N)CCCC2)c2ccccc2O1 799434254 CBIYWKZHINPJRQ-OAHLLOKOSA-N 299.370 3.916 30 20 CHED CC[C@@H](C)CON=Cc1ccc2c(c1)COC(C)(C)O2 793144714 FVEXAJSAPOFDSF-GFCCVEGCSA-N 277.364 3.728 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)CCCC)c1ccccc1 799976849 XEZUPJZGDAJUAJ-GDBMZVCRSA-N 257.377 3.694 30 20 CHED Cc1cc(/C=C2\CCc3nn(C)cc3C2=O)ccc1Cl 794962678 URLPMEGOIOHFTG-XYOKQWHBSA-N 286.762 3.594 30 20 CHED C=C(C)COC(=O)COc1ccc(Cl)c2ccccc12 791508538 OCFPSEGVZVPTEL-UHFFFAOYSA-N 290.746 3.991 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)[C@@H]1CCC(F)(F)C1 796377396 UYJNBUOWKFDJSX-GFCCVEGCSA-N 298.716 3.670 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)Nc1cccc(C#N)n1 573373563 FCGIRFCMNINTCW-CYBMUJFWSA-N 271.364 3.664 30 20 CHED COc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1F 689980998 KAHJGVOHDXKOSK-LLVKDONJSA-N 270.307 3.879 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 91437153 KYXUYIQCZMGMNI-QWRGUYRKSA-N 269.348 3.575 30 20 CHED N#Cc1ccc(NC[C@H]2COc3ccccc32)cc1Cl 92299506 DTCYEQZXJJXTMK-LBPRGKRZSA-N 284.746 3.800 30 20 CHED N#Cc1ccnc(CS[C@@H]2CCc3ccccc3C2)c1 1166489136 ZCZWRYIFMZNQFZ-QGZVFWFLSA-N 280.396 3.744 30 20 CHED CCO[C@@H](CCNc1cc(C)c(C#N)cn1)C1CCCC1 1162711205 FSEJYMOJSIWGQQ-INIZCTEOSA-N 287.407 3.659 30 20 CHED C=C[C@@H](C)NC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12 1319074205 YFXSFHYAEXWVCF-LLVKDONJSA-N 298.386 3.598 30 20 CHED C[C@]1(COC(=O)CC#Cc2ccccc2)CC1(Cl)Cl 1328187578 NMXDSNVVDAMSOL-CQSZACIVSA-N 297.181 3.555 30 20 CHED Cc1ccnc(NCCc2c(F)cccc2Cl)c1C#N 1320032699 ZJOBMRVUMYZHOO-UHFFFAOYSA-N 289.741 3.709 30 20 CHED CC1(C)CC(=NNCC2CCOCC2)CC(C)(C)C1 1320042290 ZFMYDQJCOHYVGJ-UHFFFAOYSA-N 266.429 3.595 30 20 CHED CC(C)(CCC#N)CNc1ccccc1CN1CCCC1=O 1322733456 FSIVDPNYUYRXSM-UHFFFAOYSA-N 299.418 3.551 30 20 CHED COCc1ccc(Sc2c(C#N)cccc2C#N)cc1 1320813348 JGEPXIKEDMBDGK-UHFFFAOYSA-N 280.352 3.728 30 20 CHED CC[C@@H](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C 1328428548 AIJSONMOACJUJE-ZDUSSCGKSA-N 269.348 3.833 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@H]3CCCC[C@@H]3C2)c1 1320220595 QWRBETWAAGXCLK-RHSMWYFYSA-N 282.387 3.777 30 20 CHED C[C@@H](c1nnc(COc2ccccc2C#N)o1)C1CCCC1 1322139258 PRPUEHQHAXHNFI-GFCCVEGCSA-N 297.358 3.814 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 1328390683 GXFAJCQZNOMSHH-STQMWFEESA-N 293.357 3.883 30 20 CHED CC[C@@H](C)[C@@H](C)c1nnc(COc2ccccc2C#N)o1 1325754288 XTKATFLLTYAXOJ-VXGBXAGGSA-N 285.347 3.670 30 20 CHED CCN(CC)C1CCN(CCCCC2(C#N)CCC2)CC1 1333769408 GBEICEZRIXMTNH-UHFFFAOYSA-N 291.483 3.657 30 20 CHED C=CCC1(C(=O)N2C[C@H]3CCCC[C@H]32)CCCCC1 1338277336 ZPRLJBLTIHGFJD-HUUCEWRRSA-N 261.409 3.914 30 20 CHED C=C(C)CCC(=O)N(C)c1ccc(OC)c(Cl)c1 1337183892 RYGLOMZDKGSOMH-UHFFFAOYSA-N 267.756 3.668 30 20 CHED C=C(C)CCC(=O)Nc1ccc(F)c(C(=O)OC)c1Cl 1337510763 VMPMIEDDQAFQGE-UHFFFAOYSA-N 299.729 3.561 30 20 CHED C=CCN(C(=O)c1ccc(CC)c(CC)c1)C1CC1 1254159391 DYBYFHMCJWSXBW-UHFFFAOYSA-N 257.377 3.602 30 20 CHED C=C(CC)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 1346435525 GROYLLJZQWNQBQ-UHFFFAOYSA-N 291.244 3.672 30 20 CHED C=C[C@@H](C(=O)Nc1cc(C(C)(C)C)nn1C)c1ccccc1 1345882614 ODBUZXTUBZWNFR-CQSZACIVSA-N 297.402 3.626 30 20 CHED N#Cc1cc(F)c(C(=O)OCCCC2CCC2)c(F)c1 1346744945 GQPNLQSKRDOVOW-UHFFFAOYSA-N 279.286 3.574 30 20 CHED CC(C)CC[C@@H]1CCC(=NNCC2CCOCC2)C1 1344440008 ZGJKGZWJXUGRRF-CQSZACIVSA-N 266.429 3.595 30 20 CHED Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1C#N 1264349294 MSVRCBCKFXQSGQ-JTDSTZFVSA-N 296.414 3.811 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccc(F)cc1 1342562834 RKVYVEKHLMLJCG-MARXPDLDSA-N 298.292 3.640 30 20 CHED O=C(CC1CC(F)(F)C1)OCCC(F)(F)C(F)(F)F 1516954318 UWINZVVPQVBLPC-UHFFFAOYSA-N 296.182 3.553 30 20 CHED Cc1cccc(N(C)C(=O)c2csc(C#N)c2)c1C 1526266639 CHMPVPAVUDOAKC-UHFFFAOYSA-N 270.357 3.513 30 20 CHED N#C[C@@H](C(=O)C[C@H]1C=CCC1)c1nc2cccc(Cl)c2[nH]1 1526620159 HNYCUMCIGLTYQM-QWRGUYRKSA-N 299.761 3.749 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)CC(F)(F)F 1460849599 IYSFFQVXKLCCPH-UHFFFAOYSA-N 278.233 3.602 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CC3CCC2CC3)s1 1534646109 FVFGGZSEKRPDTL-MGULZYLOSA-N 288.416 3.947 30 20 CHED CCN(C(=O)CC1CCC(C(C)(C)C)CC1)[C@@H](C)C#N 1530026202 KHFNDKDSQLQJFC-NFOMZHRRSA-N 278.440 3.990 30 20 CHED C/C(=C/Cl)CSCc1cccc(C(=O)O)c1C#N 1602980883 FPPFVJMZGBZOLX-UITAMQMPSA-N 281.764 3.632 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@H](C)C[C@H]2C)cc1C#N 1530244715 AYYYBCYAMPKDQF-NORZTCDRSA-N 271.360 3.848 30 20 CHED Cc1cc(CN2CCc3ccc(C#N)cc32)c(C)s1 1473350128 XBJNEZGUHGZFHG-UHFFFAOYSA-N 268.385 3.799 30 20 CHED CCOc1ccc(C#N)cc1NCCC(C)(C)SC 1474430675 LJPRNBUUUIFDCY-UHFFFAOYSA-N 278.421 3.901 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)CCC2CCCCC2)n1 1472693946 KARZRPVVKJZNDP-GFCCVEGCSA-N 272.396 3.818 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(-c2ccccc2OC)c1 1543086000 BBYKKFPCKMZGFH-ZDUSSCGKSA-N 294.354 3.850 30 20 CHED CCc1nc2ccc(Nc3nc(C)cc(C#N)n3)cc2s1 1472817310 RBVFRQOJELELBI-UHFFFAOYSA-N 295.371 3.572 30 20 CHED CCCOc1ccc(Nc2cc(C#N)nc(CC)n2)cc1C 1559250200 UNVHIVWVRJQIMF-UHFFFAOYSA-N 296.374 3.752 30 20 CHED CC[C@@H](C#N)C(=O)NCc1cccc(Oc2ccccc2)c1 1630063865 JYYSIVUGYCMYMP-HNNXBMFYSA-N 294.354 3.645 30 20 CHED Cc1ccc(C(C)(C)CNc2cc(C#N)nc(C)n2)c(C)c1 1642727553 GRXQHJVQJXUYAP-UHFFFAOYSA-N 294.402 3.663 30 20 CHED N#Cc1ccc(SCC(=O)c2ccc(F)c(F)c2)cc1 1652613702 ZNQSERGZLYGTJG-UHFFFAOYSA-N 289.306 3.811 30 20 CHED Cc1ccc(C[C@@H]2CCCN(CC3(CC#N)CC3)C2)cc1 1652398112 XHLVHTXQEPKBEF-SFHVURJKSA-N 282.431 3.943 30 20 CHED N#Cc1ccc(Sc2nc(C#N)c(Cl)s2)cc1 1651408050 BHNBXRFPYAXGTR-UHFFFAOYSA-N 277.761 3.691 30 20 CHED C=C(C)c1cccc(NC(=O)/C=C/c2cc(C(=O)O)co2)c1 1588605342 HSOJSOCJWKACKO-VOTSOKGWSA-N 297.310 3.663 30 20 CHED CC(C)COc1ccc(Oc2cccc(F)c2C#N)cn1 1655595346 BHRJOTDYTMTCNF-UHFFFAOYSA-N 286.306 3.919 30 20 CHED CCCOc1ccc(Nc2ccncc2C#N)cc1C 1655729968 KNYYLMVENPJRQV-UHFFFAOYSA-N 267.332 3.794 30 20 CHED C#CCCCN[C@H]1CCCc2c1[nH]c1ccccc21 229819560 CCBMNTOPWJQYLD-INIZCTEOSA-N 252.361 3.548 30 20 CHED C=CCCOCCN[C@@H]1CCCCc2ccccc21 229860394 PFBVGFUMJAPWNK-QGZVFWFLSA-N 259.393 3.636 30 20 CHED N#Cc1c[nH]nc1NCc1ccccc1-c1ccccc1 1656221559 UOJUINUUIFYVGH-UHFFFAOYSA-N 274.327 3.560 30 20 CHED CC(C)(C)c1coc(NC(=O)[C@@H](CC#N)c2ccccc2)n1 1585109891 LXLXOTLFYDDABZ-ZDUSSCGKSA-N 297.358 3.608 30 20 CHED Cc1ccccc1COC(=O)N(CCC#N)CC(C)(C)C 1660111295 WZOXPQYBAQUEEQ-UHFFFAOYSA-N 288.391 3.893 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccn1C(C)C 123436980 GDJYBYWATATWPI-UHFFFAOYSA-N 267.332 3.501 30 20 CHED C=CCN(CCC(=O)O)CCC12CC3CC(CC(C3)C1)C2 1776179332 DQKYCOWGQLKSOD-UHFFFAOYSA-N 291.435 3.556 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccc(/C=C\C(=O)O)o2)c1 1776133716 MTDLCUDDCFYCKK-ZWOQCJTASA-N 296.322 3.890 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cncc(C(=O)O)c2)cc1C 1776133552 ZVUWCPQQNBWYFA-PLNGDYQASA-N 295.338 3.601 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc3c(c2)CCCC3)cc1 1776013089 HGPFGPNAKSHHMR-UHFFFAOYSA-N 294.354 3.710 30 20 CHED C=CCCCCN1CC[C@@H](c2ccccc2C(=O)O)C1 1776174880 YDXWLHZSCVVRFR-CQSZACIVSA-N 273.376 3.530 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNc1ccc(C(=O)O)nc1 1776068759 XFHRXGHVIAPRGX-CYBMUJFWSA-N 289.379 3.950 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CCC(=O)C[C@@H]1C)c1ccccc1 161778062 PGVDOIOTNWSFKT-WBAXXEDZSA-N 299.414 3.815 30 20 CHED C=CCC[C@H](N[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 160022479 UWRLDMNKSHZJRK-SZMVWBNQSA-N 272.436 3.766 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1SCC 151489255 DUAWLAIXVKJDTP-HUUCEWRRSA-N 281.465 3.935 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCC(C)(C)c1ccccc1 152816256 MOVAAMRHQVVMAX-AWEZNQCLSA-N 272.392 3.505 30 20 CHED C#CCCCCNC(=O)Nc1cccc(-c2nccs2)c1 152718510 DSLYEZVYILHQAX-UHFFFAOYSA-N 299.399 3.735 30 20 CHED CCCOc1cccc(CC(=O)Nc2ccccc2C#N)c1 153042391 UGLRCOQSCWHGCN-UHFFFAOYSA-N 294.354 3.528 30 20 CHED Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 153202441 JBYLGWQSFOPXFX-QGZVFWFLSA-N 278.355 3.770 30 20 CHED C#CCCCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 155816987 NJZLIKKEQIVPBP-UHFFFAOYSA-N 294.398 3.580 30 20 CHED C=CCN(C)C(=O)c1ccc(-c2nc3ccccc3s2)o1 154171472 WQXJWSYZMVRSQG-UHFFFAOYSA-N 298.367 3.814 30 20 CHED C=CCN(C(=O)c1ccc(Cl)nc1C)c1ccccc1 154570860 ACFLJYLWFPKOAS-UHFFFAOYSA-N 286.762 3.876 30 20 CHED C=CCC[C@@H](Nc1ccnc(C)n1)c1ccccc1 154589569 HCVIRMBHYQMFLY-OAHLLOKOSA-N 253.349 3.904 30 20 CHED CCN(Cc1ccc(N(C)C)cc1)CC(C)(C)CCC#N 156851968 ACQXMLAOKIORRD-UHFFFAOYSA-N 287.451 3.904 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(OC)c(F)c1 156874973 VONIACIRZNUVIT-UHFFFAOYSA-N 279.355 3.653 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)[nH]1 159702647 XIWDHDRJEGTFTH-HNNXBMFYSA-N 299.761 3.517 30 20 CHED CC(C)(C)C1=CCN(c2nccc(C#N)c2Cl)CC1 232580174 MNRYTVIXUFMDNK-UHFFFAOYSA-N 275.783 3.789 30 20 CHED Cc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)o1 20126499 UPKPYRWWVCACHV-LBPRGKRZSA-N 256.305 3.664 30 20 CHED CCc1nnc(Sc2ccccc2)c(C#N)c1CC 125820906 NEJRWKSOSZMJTO-UHFFFAOYSA-N 269.373 3.624 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@H](O)CC1 819323573 BMWBCXOQXNMWHD-INIZCTEOSA-N 283.456 3.891 30 20 CHED N#CCOc1cccc(NCc2ccc(Cl)cc2F)c1 160732255 AEJFVFFTTFZUNR-UHFFFAOYSA-N 290.725 3.994 30 20 CHED C#CCCCN[C@H](C)c1ccc(OC(F)(F)F)cc1 174273698 SQCFBRNXCXICDK-LLVKDONJSA-N 271.282 3.649 30 20 CHED Cc1cc(F)ccc1CN[C@H](C)c1ccc(C#N)cc1 50575233 FYSPCQGOWOINQL-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cc1 53422416 JFLXFJQXMVIUJN-CYBMUJFWSA-N 268.335 3.890 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCc2ccc(F)cc21 301401531 QKBVURKBIPXINW-INIZCTEOSA-N 270.282 3.936 30 20 CHED C=C(Br)CN[C@@H](Cc1ccccc1)C(C)C 309349091 MKJSBZYCUWEVEU-AWEZNQCLSA-N 282.225 3.752 30 20 CHED Cc1nc(N2CCC[C@H](C(C)C)CC2)ccc1C#N 311497588 DNCVJOWMBMSCGX-AWEZNQCLSA-N 257.381 3.524 30 20 CHED CCC1(C/N=C(/O)c2cc(Cl)ccc2O)CCOCC1 331244461 SJNHVUIHDYZOCG-UHFFFAOYSA-N 297.782 3.557 30 20 CHED C[C@@H]1CC[C@H](Nc2cccc(OCC#N)c2)[C@H](C)C1 85097796 CCNFIIANVHYXST-IOASZLSFSA-N 258.365 3.826 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc(Cl)c2F)C1 397661213 CMNYXNBNORHLTP-NSHDSACASA-N 266.747 3.605 30 20 CHED Cc1cccc(OCc2ccc(CC#N)cc2)c1C 399126868 KZDRBXQWHVRHEY-UHFFFAOYSA-N 251.329 3.949 30 20 CHED Cc1ccc(Nc2nnc(S[C@@H](C)C#N)s2)cc1C 4835564 SDCGVIVIWQLCNB-JTQLQIEISA-N 290.417 3.903 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccc(-c2ccccc2)cc1 53077322 OFVLMWCXPXJLNM-AWEZNQCLSA-N 278.355 3.585 30 20 CHED C=CCCCSc1nnc(-c2ccccc2)n1C 117547302 GASIYIWHLBWHBX-UHFFFAOYSA-N 259.378 3.540 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H](C)c1ccc(CC)cc1 119124232 CVCJOKMEIURUDK-KBPBESRZSA-N 259.393 3.823 30 20 CHED N#Cc1csc(C(=O)Nc2cc(F)cc(Cl)c2)c1 177782145 QBGLVZGYMKJMKB-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)CCC#N 107229620 FGXGDZFOKNPGOX-SNVBAGLBSA-N 299.201 3.544 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)C1(C)CC1 175971199 MZXGLASMZXWQKZ-LBPRGKRZSA-N 271.364 3.519 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)Cc2cccs2)cc1 29150634 ZRTHROKFODWPFM-UHFFFAOYSA-N 284.384 3.730 30 20 CHED N#Cc1ccc(N[C@H]2CCCN(c3ccccc3)C2)cc1 301308537 WPZYLQGFYDGGPC-KRWDZBQOSA-N 277.371 3.639 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](c2nccs2)C1 118395783 SVQGLPGRKNJIGP-CJNGLKHVSA-N 297.427 3.955 30 20 CHED Cc1cccc(C(C)(C)CNc2cccc(C#N)n2)c1 301284139 PRPCSQDDQNXNEZ-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CC1(C)CN(c2c(Cl)cccc2C#N)CC(C)(C)O1 302611656 BNHQAQGVJGWZQW-UHFFFAOYSA-N 278.783 3.605 30 20 CHED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cccc(CC#N)n1 1342844893 ZBMJNPRVOVIEFH-UKRRQHHQSA-N 295.361 3.669 30 20 CHED C[C@@H]1CC(Nc2c(Cl)cccc2C#N)C[C@@H](C)O1 301986286 ZHTMLOCATMAHEA-NXEZZACHSA-N 264.756 3.580 30 20 CHED C=C(C)COc1cc(CNc2cnccc2C)ccc1OC 119004191 MVLJEIHFZIYOEN-UHFFFAOYSA-N 298.386 3.966 30 20 CHED CCc1c(C)sc(NC(=O)Cc2cccs2)c1C#N 68677954 VGQFCPJHOVJKEM-UHFFFAOYSA-N 290.413 3.733 30 20 CHED CCc1nc([C@@H](C)/N=C/c2cc(OC)ccc2O)cs1 110129736 KDJBGLUKZXBWEJ-LYQMGENXSA-N 290.388 3.600 30 20 CHED COc1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 29150564 WVCTXLBHSOARDX-UHFFFAOYSA-N 294.354 3.749 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1ccc(C#N)nc1 302224034 NVTHOHFTOUCAQF-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C#CCN(Cc1scnc1C)[C@@H]1CCc2ccccc21 179204518 UPKJBXDRMBPOPE-MRXNPFEDSA-N 282.412 3.574 30 20 CHED N#Cc1ccccc1NCc1cc(Br)cs1 20475095 DJIMIPHWFXHXNA-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C=CCCCC(=O)Nc1nnc(/C=C/c2ccco2)s1 179584889 XCOOKDZRPBUBKY-CMDGGOBGSA-N 289.360 3.596 30 20 CHED C=C(C)CCC(=O)N1Cc2ccccc2C2(CCC2)C1 1347069771 QNFYBCBHJUWOCI-UHFFFAOYSA-N 269.388 3.807 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCC3(CCCC3)CC2)c1 302084354 DJQHWEDMGPUDLV-UHFFFAOYSA-N 282.387 3.921 30 20 CHED N#Cc1ccc(NCc2ccccc2OC(F)F)c(F)c1 63508458 YVPRZWUPRWYXRZ-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CCC(=CC(=O)Nc1ccccc1O[C@H](C)C#N)CC 182108912 BMJVOASWBKPZTD-GFCCVEGCSA-N 272.348 3.662 30 20 CHED Cc1ccc(C(=O)COc2ccc(C#N)cc2F)c(C)c1 127460683 SCZIOVJUYHESJY-UHFFFAOYSA-N 283.302 3.576 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1OCC1CC1 188441536 QRXPRFYZSBOLMA-SFHVURJKSA-N 287.403 3.694 30 20 CHED C#Cc1cccc(N(C(=O)c2ccccc2)C(C)C)c1 77293894 CHIDLCWGCZWWHZ-UHFFFAOYSA-N 263.340 3.723 30 20 CHED C[C@H](Sc1ccc(C#N)cc1Cl)c1cnccn1 186216146 MVNXJFFJNZFTTP-VIFPVBQESA-N 275.764 3.855 30 20 CHED CC(C)C1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 127587806 ZHIMQPHTSRSRHY-UHFFFAOYSA-N 290.794 3.720 30 20 CHED C[C@H](C#N)CNCc1cc(Cl)cc(C(F)(F)F)c1 188395835 WWPPUVLQDJOEIS-MRVPVSSYSA-N 276.689 3.608 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1csc2c1CC[C@H](C)C2 410830246 ULDMYSVQBIHBST-RYUDHWBXSA-N 290.432 3.637 30 20 CHED CC(C)CC[C@@H](C)NC(=O)CSc1ccc(C#N)cc1 75465429 HSVCDQLFEOKENC-CYBMUJFWSA-N 290.432 3.591 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)cc1OC 35326142 SYLIZETUIUKQGT-QPJJXVBHSA-N 298.338 3.614 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Br)c(C)n1 187976545 FWKNKXVJKUZNIN-ZDUSSCGKSA-N 297.196 3.693 30 20 CHED COc1ccc(Cl)c(COc2ccc(C#N)cc2)c1 478543294 RVFXVYRSKJTWQS-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C[C@@H](C1CC1)N(Cc1cn2ccccc2c1C#N)C1CC1 75683819 VCMWVCIITOPHJF-ZDUSSCGKSA-N 279.387 3.574 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1cn[nH]c1C)c1ccc(F)c(F)c1 186452577 ZWNQIROXBNAOQK-QLJPJBMISA-N 291.345 3.964 30 20 CHED C[C@H](CC(C)(C)C)C(=O)Nc1cnc(C#N)c(Cl)c1 411031495 MAZSAVKQXNNNTQ-SECBINFHSA-N 279.771 3.617 30 20 CHED COc1ccc2c(c1)C[C@@H](Nc1ccc(CC#N)cc1)CC2 316994802 MIWBAIVSZRZKCO-SFHVURJKSA-N 292.382 3.731 30 20 CHED CC1(C)CCCN(Cc2cc(F)ccc2Cl)[C@@H]1C#N 444733122 QMEYIQZETKCKDG-CQSZACIVSA-N 280.774 3.993 30 20 CHED Cc1cccc(NC(=O)c2cccc(SCC#N)c2)c1 79380191 CJCJSYKNUMEJCG-UHFFFAOYSA-N 282.368 3.863 30 20 CHED Cc1cc(C(=O)O[C@@H](C)C(C)(C)C#N)c2ccccc2n1 185314360 SBMDFPUZGXURCS-LBPRGKRZSA-N 282.343 3.638 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 181188298 RFJUIRJBCZPAJP-CYBMUJFWSA-N 299.374 3.620 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(C)cc1SC 417222424 KERMYJTWIRGBLF-LLVKDONJSA-N 277.393 3.531 30 20 CHED COCCc1ccccc1NCC#Cc1cccc(Cl)c1 188018637 LESBCUWNUVXKQN-UHFFFAOYSA-N 299.801 3.993 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 410142810 ZZDWUSVAQXBDGX-QKGCVVFFSA-N 287.403 3.977 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1CC#N 410826192 HPICVYUUYZDFJL-TZMCWYRMSA-N 256.349 3.517 30 20 CHED CC(C)(C)CCC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416096128 HLWWBFXZKKOXJR-MRXNPFEDSA-N 284.403 3.878 30 20 CHED CC(C)[C@@H](C(=O)NCc1ccc(C#N)cc1)c1ccccc1 79485317 VMFDFTNFASEBBM-GOSISDBHSA-N 292.382 3.614 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(-c2cnn(C)c2)s1 509476801 PRCRDHBYWOJMED-CYBMUJFWSA-N 289.448 3.983 30 20 CHED Cc1sccc1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416092882 CJXBQAGEQAMFMY-MRXNPFEDSA-N 296.395 3.736 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1ncc(C)s1 180881143 HHTSTBQHEGGCJN-PWSUYJOCSA-N 281.425 3.557 30 20 CHED C=C(Br)CNC(=O)Nc1ccccc1C(C)C 49299722 CUTSMRUGNHXVME-UHFFFAOYSA-N 297.196 3.840 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc([C@H](C)C(=O)OC)c1 414492166 VTSGNKVILGTPDE-MELADBBJSA-N 275.392 3.976 30 20 CHED CC(C)(C#N)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 81676439 LDELTZAXSSWPTG-UHFFFAOYSA-N 288.778 3.505 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCCC[C@H]1OC(F)F 503937383 MXIYLVOHYPLWSR-YNEHKIRRSA-N 261.356 3.871 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(C)c(Cl)c(C)c1 508062214 MIEMBCPMCUNQKN-LBPRGKRZSA-N 281.783 3.877 30 20 CHED CC(C)CC[C@H](NC(=O)CC#N)c1ccc(Cl)cc1 131886942 WWTJLPZHRRDDFP-AWEZNQCLSA-N 278.783 3.847 30 20 CHED COc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1F 130507826 QTPOOJYCBAGERA-KRWDZBQOSA-N 298.361 3.969 30 20 CHED C=CCN(CCC#N)Cc1cccc(Br)c1C 428851976 UDUOBFMNOPRBQY-UHFFFAOYSA-N 293.208 3.659 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccccc1Cc1ccccc1 84907638 FDUXITMVUGGUST-AWEZNQCLSA-N 293.370 3.559 30 20 CHED C=CCSCCNC(=O)c1oc2c(C)cccc2c1C 194475781 KWBMKELPJKUSIV-UHFFFAOYSA-N 289.400 3.699 30 20 CHED CC(C)CC(C)(C)C(=O)N[C@H](C)c1cccc(C#N)c1 84556031 YKAOKKFRMBCPJQ-CYBMUJFWSA-N 272.392 3.808 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C)cc1Cl 44765354 AREKIATVERFJGI-UHFFFAOYSA-N 264.756 3.917 30 20 CHED N#Cc1ccc(F)c(CN2CCS[C@@H]3CCCC[C@@H]32)c1 177209257 VHUFTNAYOUCWDK-JKSUJKDBSA-N 290.407 3.557 30 20 CHED COc1ccc(CN[C@H](C)c2cc(C)oc2C)cc1C#N 87824074 TWGJVNARCKZXKG-GFCCVEGCSA-N 284.359 3.628 30 20 CHED CC(C)Oc1cc(C/N=C(/O)[C@@H]2CC23CCCC3)ccn1 328804990 LQGLZEKVQGWFSE-AWEZNQCLSA-N 288.391 3.906 30 20 CHED CC[C@@](C)(COc1ncccc1Cl)NCCCCC#N 136236185 KJJZEWLHBQJTJS-HNNXBMFYSA-N 295.814 3.566 30 20 CHED CC(C)(C#N)CNC(=O)N1CCC[C@H]1CC1CCCCC1 512787034 DMNDPBXJMUOJPG-HNNXBMFYSA-N 291.439 3.681 30 20 CHED Cc1csc(CSCc2ccc(F)cc2C#N)n1 88306687 KIAJEMDLBFAARL-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(COC)cc2)cc1 195253511 IPXSAAIIQBYASG-UHFFFAOYSA-N 297.354 3.650 30 20 CHED CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[C@@H]1C(C)(C)C 425856716 FLMRRXUZBYHWMO-XGUBFFRZSA-N 291.439 3.535 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1cc(C#N)cs1 84058100 VDONLZMPTWAEFH-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C[C@@H]1CC[C@@H](NCc2cc(C#N)n(C)c2)c2ccccc21 191472901 ULSZBZHRWZWRGN-FZKQIMNGSA-N 279.387 3.625 30 20 CHED C=CCN(CCC#N)CCCc1ccc(Cl)cc1 428872150 MBXOXRMIBFDWFU-UHFFFAOYSA-N 262.784 3.674 30 20 CHED C=C(CNC(=O)N1CCC[C@H]2CCC[C@@H]21)c1ccccc1 512662470 XPUWWRJJVRTYKW-SJORKVTESA-N 284.403 3.674 30 20 CHED C#CC[C@H](Nc1ncnc2ccccc12)c1ccccc1 140285277 HVQLJVDRIAXJNZ-INIZCTEOSA-N 273.339 3.806 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCC2CCCCC2)cc1 331029552 RTLWHJMSQRZMEV-UHFFFAOYSA-N 284.403 3.798 30 20 CHED COc1ccc2c(c1NCCCC(C)(C)C#N)CCC2 190457093 OUXXVTATUOICTG-UHFFFAOYSA-N 272.392 3.926 30 20 CHED N#Cc1ccc(NCc2cc3c(s2)CCCC3)cn1 531172563 MDCMENKRJXLUGM-UHFFFAOYSA-N 269.373 3.506 30 20 CHED CCC[C@H](C#N)NC(=O)C(CC)(CC)c1ccccc1 92003767 WPWFDHIJHDQPAQ-OAHLLOKOSA-N 272.392 3.553 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(OC(C)C)cc1 429827679 CCXBLSPNKNODOW-UHFFFAOYSA-N 275.392 3.692 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(F)cc1Cl 97054650 DAWNJDRBRSMZDE-LLVKDONJSA-N 299.773 3.671 30 20 CHED N#C[C@@H]1CC[C@@H](N2Cc3ccccc3C3(CCC3)C2)C1 336131097 VLJSNOCTFOTOCR-GDBMZVCRSA-N 266.388 3.616 30 20 CHED C=C1CCN(S(=O)(=O)c2ccc([C@H](C)CC)cc2)CC1 518665546 HRICDIGRAVQQGP-CQSZACIVSA-N 293.432 3.541 30 20 CHED C=CCCCCN1CCC(Oc2cncc(Cl)c2)CC1 514738214 WFSDJIYZJXRMEA-UHFFFAOYSA-N 294.826 3.935 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2C(F)(F)F)C1 335614510 VKGICHDXNVTPIU-VHSXEESVSA-N 297.280 3.519 30 20 CHED N#Cc1ccc(N2CCC(OC3CCCCC3)CC2)cc1 142247570 GJCBMPHWHSPOJU-UHFFFAOYSA-N 284.403 3.876 30 20 CHED CC(C)(C)C1=CCN(Cc2ccc(C#N)cc2)CC1 535406696 FTEQFTGYNGWUPV-UHFFFAOYSA-N 254.377 3.736 30 20 CHED C=C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 336018415 CAWJIIDHVFGDJL-UONOGXRCSA-N 275.779 3.622 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@@H](C(F)(F)F)C1 435738420 AMTXJPOLWDHCRH-MQYQWHSLSA-N 291.357 3.678 30 20 CHED C=CC[C@@H](C)NC(=O)c1nc(-c2ccccc2)cs1 338199362 WUCWDHFAUDYTRL-LLVKDONJSA-N 272.373 3.505 30 20 CHED CCc1ccc(N/C(O)=N/C2(CCO)CCCCC2)cc1 331068088 QSQQCOCQDLQGGZ-UHFFFAOYSA-N 290.407 3.660 30 20 CHED N#CCC1(CNCc2ccc(F)c(C(F)(F)F)c2)CC1 430023942 PSQSEYFGOGGOHU-UHFFFAOYSA-N 286.272 3.628 30 20 CHED C=CCC[C@@H](NCCN1CCCC[C@H]1CC)C1CC1 438986733 RIQOJNQXCMZEEC-IAGOWNOFSA-N 264.457 3.585 30 20 CHED Cc1ncsc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 93872470 DDSKABFRGCHNOG-JKSUJKDBSA-N 297.427 3.723 30 20 CHED Cc1nc(C2(/N=C(/O)[C@@H](C)C3CC3)CCCCC2)no1 330085859 LUIPKBDJKWYZDF-JTQLQIEISA-N 277.368 3.540 30 20 CHED CC[C@H](C)[C@@H](/N=C(/O)c1cc(C#N)oc1C)C(F)(F)F 331238533 NDAHTYXSTFQLRD-WRWORJQWSA-N 288.269 3.741 30 20 CHED Cc1cc(F)ccc1CCN[C@@H](C)c1ccc(C#N)cc1 94950032 LNGMIJANLMCZRM-AWEZNQCLSA-N 282.362 3.899 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 248837553 KIEYVKMXJHUTAL-FZKQIMNGSA-N 280.346 3.890 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCc2c(F)ccc(F)c21 435673242 MYNBGAZHVQUXRN-PJQXDXOGSA-N 293.357 3.523 30 20 CHED N#CCC[C@H](N[C@H]1CC[C@H]1C1CC1)c1ccccc1 348395891 LLQVDHKQQVFZMS-ULQDDVLXSA-N 254.377 3.810 30 20 CHED Cc1ccc2sc(C(=O)NCCCCC#N)c(C)c2c1 346014535 ZFCPMLMICQHVPJ-UHFFFAOYSA-N 286.400 3.942 30 20 CHED CCc1ccc(S(=O)(=O)[C@H](C)c2ccc(C#N)cc2)cc1 340838328 LTUHVXAMBOZCOF-CYBMUJFWSA-N 299.395 3.656 30 20 CHED CCCc1noc(CN(CC(C)C)c2ccc(C#N)cc2)n1 438923604 TVWSUTYKBDOHPT-UHFFFAOYSA-N 298.390 3.556 30 20 CHED Cc1nsc(NCC(C)(C)Oc2ccccc2)c1C#N 342405371 BESDFXAHVNRFIM-UHFFFAOYSA-N 287.388 3.593 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)C1CCC(C(C)C)CC1 433032862 STBYBIXXBRFCKS-LEOMRAHMSA-N 295.467 3.888 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc(C(C)C)n1 348525784 JEKYBEMFHYOLNV-UHFFFAOYSA-N 287.407 3.749 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1ccnc2c(OC)cccc12 435600604 DQPGULARYAXTCW-FZKQIMNGSA-N 298.386 3.637 30 20 CHED C[C@H](CCc1c[nH]c2ccccc12)N[C@@H]1CC[C@H](C#N)C1 601283052 MOVYRTQAQSAFMP-IJEWVQPXSA-N 281.403 3.771 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N(C)c1ccccc1C#N 602282728 KFRYFWASYNZRDT-OAHLLOKOSA-N 292.382 3.708 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1cc(F)ccc1C 438322454 NYLDDVXCYITLCV-UHFFFAOYSA-N 295.423 3.792 30 20 CHED N#CCCCNC(=O)c1ccccc1Oc1ccccc1 342643568 DJAQXQVNLFPIJN-UHFFFAOYSA-N 280.327 3.512 30 20 CHED CCCOc1ccc(/C=C\c2ccc(C#N)cn2)cc1 603894495 ZLOVFMZGTXBHPA-CLTKARDFSA-N 264.328 3.912 30 20 CHED CO[C@H](CSCC1(C#N)CCC1)c1ccc(F)cc1 600632722 LDALLZIHBWLDIQ-CQSZACIVSA-N 279.380 3.940 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1Br 182625723 UWRLPSDPXJFGNL-NSHDSACASA-N 296.208 3.924 30 20 CHED C=CCCC[C@@H](C)N[C@H]1CCCc2scnc21 623928422 PJDJAOGOFSFUPT-NEPJUHHUSA-N 250.411 3.855 30 20 CHED CCOc1ccccc1/C=C\c1ccncc1C#N 347457013 YAOXFKZCHBREMK-FPLPWBNLSA-N 250.301 3.522 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C(C)=O)cc1F 347165736 ZQBSNWRVHVLMGQ-NSHDSACASA-N 277.339 3.503 30 20 CHED C=CCc1ccccc1OCc1nccn1CC(F)(F)F 347048637 JRTDSDNCSQIHBL-UHFFFAOYSA-N 296.292 3.753 30 20 CHED C[C@H](CCC#N)CN1CCC2(CCc3ccccc3O2)CC1 602716243 CCCZXKRMXIHVJR-MRXNPFEDSA-N 298.430 3.786 30 20 CHED C=CCCOCCN[C@H](c1ccc(C)o1)C1CCC1 349774715 ISYAKFSZURQUFM-INIZCTEOSA-N 263.381 3.612 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC1CCCCC1 341757819 LWWLUPYXXYRYFN-QGZVFWFLSA-N 254.377 3.858 30 20 CHED C=C1CCN(Cc2ccc(-n3nc(C)cc3C)cc2)CC1 341995648 PWYWBZVMULLMKW-UHFFFAOYSA-N 281.403 3.641 30 20 CHED C=CCN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 444821642 ZXWNTGGIZQGCTD-JTQLQIEISA-N 267.653 3.858 30 20 CHED CC(C)OCc1cccc(NC[C@@H](C)CCC#N)c1 602488289 SUMQTEJRKNRCSQ-AWEZNQCLSA-N 260.381 3.963 30 20 CHED CCCN(C)c1ccccc1N[C@@H]1CC[C@@H](C#N)C1 600215434 LDFCBGSVUNPIOW-ZIAGYGMSSA-N 257.381 3.637 30 20 CHED C=CCC1(NC/C=C/c2ccncc2)CCCCC1 449575380 MCMMBSFQYIYTDI-VOTSOKGWSA-N 256.393 3.963 30 20 CHED C=CCCCCNC(=O)c1cc(C)n(C2CC2)c1C 354282808 IKSGGMGCIZGRPT-UHFFFAOYSA-N 260.381 3.526 30 20 CHED C[C@H](CCC#N)CNC[C@@H]1CCCCC(F)(F)C1 602674741 YPARQTIUTRWQIN-CHWSQXEVSA-N 258.356 3.731 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](SCC)C(C)C)c1 608940411 BUWWVJZFWALNDF-OAHLLOKOSA-N 293.432 3.968 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCOc1cccc(F)c1 537237735 MDCJXKLLZQIPRJ-CQSZACIVSA-N 293.382 3.846 30 20 CHED N#Cc1cccc(CN[C@H](c2ccccc2)C2CCCC2)n1 602536476 UDYAOPZYFJZDAT-LJQANCHMSA-N 291.398 3.974 30 20 CHED CN(CCCNC1CCC(C)(C#N)CC1)Cc1ccccc1 449066625 DKDPLYRZLUKWJW-UHFFFAOYSA-N 299.462 3.571 30 20 CHED N#CC[C@@H](CC(=O)N(CC1CC1)C1CCC1)c1ccccc1 358418884 YAFYITLKZYVUMY-KRWDZBQOSA-N 296.414 3.865 30 20 CHED Cc1cccc2c(N3CCS[C@@H](C)CC3)c(C#N)cnc12 617221820 AMNBUBVWMZUHLO-ZDUSSCGKSA-N 297.427 3.747 30 20 CHED C=CCN(C(=O)c1coc2ccc(CC)cc12)C1CC1 354466366 ZBAOLUMGKVKONR-UHFFFAOYSA-N 269.344 3.786 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2csc(CC(C)C)n2)C1 617785171 FJWJGCHDEWPTMT-CYBMUJFWSA-N 292.448 3.770 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cc2cccc(F)c2o1 355750599 VLDUMTNLVLOKCW-SNVBAGLBSA-N 258.296 3.526 30 20 CHED COc1ccc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1C#N 533539384 QTGXNCMAZJFCJO-UKPHBRMFSA-N 284.403 3.720 30 20 CHED Cc1cccc(C2=CCN(c3cccnc3C#N)CC2)c1 357479985 OGGADIBNROAUMQ-UHFFFAOYSA-N 275.355 3.555 30 20 CHED CCC1(CC)CCC(NC(=O)NCC(C)(C)C#N)CC1 355525916 NGMNUQZWDNFYGY-UHFFFAOYSA-N 279.428 3.584 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccn(C)c1 268644717 SFSDMLOXGHGRAL-GFCCVEGCSA-N 299.399 3.672 30 20 CHED CCCCn1cc(CNc2ccc(F)cc2C#N)c(C)n1 358459358 UMEZTICUMHJUAM-UHFFFAOYSA-N 286.354 3.615 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1)C1CC1 536794074 AFNKDDAOAVGPMG-FUHWJXTLSA-N 298.430 3.758 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 352103079 YAJPNYOZFMETOQ-CRAIPNDOSA-N 284.403 3.855 30 20 CHED CC(C)(CCC#N)CNC(=O)NC(C)(C)c1cccs1 358716025 DVVVIMAJBYYFLT-UHFFFAOYSA-N 293.436 3.612 30 20 CHED C=CC[C@@H](CO)CNCc1cccc(Oc2ccccc2)c1 538122604 JJZGURVPWAZMTN-QGZVFWFLSA-N 297.398 3.753 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc(C#N)cc1F 611541222 HZNXMNUSBDBRFZ-KOLCDFICSA-N 286.272 3.865 30 20 CHED C=CCC1(C(=O)NCc2cccc3cccnc23)CCCC1 449810313 LDGGUSUEOUUZIQ-UHFFFAOYSA-N 294.398 3.988 30 20 CHED C[C@@H](N[C@@H]1CCCc2cccnc21)c1cccc(C#N)c1 619611239 AELVWRIBBVGSCP-CXAGYDPISA-N 277.371 3.681 30 20 CHED Cc1ccc(F)cc1CN[C@H](C)c1cccc(C#N)c1 611498418 QGVXKNVUGRXHSP-CYBMUJFWSA-N 268.335 3.857 30 20 CHED CC#CCN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 533070260 PSNBTZAQYMCZDO-INIZCTEOSA-N 295.430 3.820 30 20 CHED C=CCC[C@@H](CC)NCc1ccccc1-c1cnn(C)c1 536838931 MFAXHDJJWUFXLT-QGZVFWFLSA-N 283.419 3.922 30 20 CHED CC(=NNC(=S)NCc1ccccc1)C1CCCCC1 263625810 PHMKYEVZMYSAFQ-UHFFFAOYSA-N 289.448 3.607 30 20 CHED c1csc(-c2nc(CON=C3CCC3)cs2)c1 265439395 HWGFMIZZLUTHFM-UHFFFAOYSA-N 264.375 3.928 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C(C)(C)C)C(F)(F)F 614407170 GZHBDJTUMOIBIY-CYBMUJFWSA-N 284.325 3.933 30 20 CHED Cc1sc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c(C#N)c1C 361819450 NVHCQGQZDRKPTG-SWLSCSKDSA-N 276.405 3.857 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCCCC1(F)F)CC2 453244251 HASQSUKXPLRHBR-GDBMZVCRSA-N 290.357 3.961 30 20 CHED C=CCC[C@H](CC)N[C@@H](CC(=O)N(C)C)c1ccccc1 360165420 XZAZUDGHRGVMBI-IRXDYDNUSA-N 288.435 3.540 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)NCCCCC#N 264106615 IQVOROOPAIWTJP-INIZCTEOSA-N 287.407 3.863 30 20 CHED Cc1occc1CN(C)c1c(C#N)cnc2c(C)cccc12 610274032 AZXAWYOGFKDUHY-UHFFFAOYSA-N 291.354 3.953 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 539366009 FPDCXKQWZDDUFR-HRCADAONSA-N 281.440 3.690 30 20 CHED C=CCOc1cccc(C(=O)Nc2ccc(C)cc2)c1 532845258 PENZHAIQWOSKND-UHFFFAOYSA-N 267.328 3.812 30 20 CHED CC#CCN(C)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 458779427 QSZYZRADZQIKMV-ZDUSSCGKSA-N 298.361 3.705 30 20 CHED C[C@@H](Cc1cccc(F)c1)N(C)CCC(C)(C)C#N 459773924 VLTNIYUHUGDRTC-ZDUSSCGKSA-N 262.372 3.628 30 20 CHED CC[C@H]1CN(C(=O)CC(C)(C)C#N)CC[C@H]1c1ccccc1 278992326 LETRUHAXEKDDNS-DOTOQJQBSA-N 298.430 3.969 30 20 CHED CC(C)(CC(=O)N1CCC(CC#N)CC1)c1ccccc1 543838194 LKLBDHDIDCKMLV-UHFFFAOYSA-N 284.403 3.507 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)o1 547328440 MVGNAZWFRNOSMI-QMTHXVAHSA-N 297.314 3.795 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1nccc2ccccc12 453356400 OEHLOGCVSGKRMQ-XKQJLSEDSA-N 282.387 3.619 30 20 CHED N#CCCN1CCC[C@H]1c1ccccc1C(F)(F)F 362959115 YENOKXFVQCVQFM-ZDUSSCGKSA-N 268.282 3.756 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 365601509 KTMFVWHOZNNLBR-KXBFYZLASA-N 299.414 3.585 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(C3CC3)cc2)c1 611325812 ROZSYUBETLGKIG-UHFFFAOYSA-N 276.339 3.882 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccc(Cl)cc1)C1CC1 459082731 SIRYNVQVCROHHM-UHFFFAOYSA-N 292.810 3.980 30 20 CHED Cc1ccc(C(C)(C)CN(C)CC2(C#N)CC2)cc1 540550816 MTVPYXNAFXIOND-UHFFFAOYSA-N 256.393 3.508 30 20 CHED C=CCCC(=O)NC1(C(C)(C)c2ccccc2)CC1 456822963 ZBJGEWGUCDJMPY-UHFFFAOYSA-N 257.377 3.579 30 20 CHED C=CCN(C(=O)c1ncccc1CSC)c1ccccc1 361447947 UVHGRUKDUDIVKD-UHFFFAOYSA-N 298.411 3.777 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)C1CCC1 457420423 SWOAGIXDKMRATH-GFCCVEGCSA-N 263.406 3.699 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(Cl)c1C 276311031 NEGJNJZFQMWGLC-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCc1cc2ccccc2[nH]1 540482101 IMLJORYCBUPCGM-AWEZNQCLSA-N 299.418 3.754 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)NCC1(C#N)CCC1 450692184 KHBCTWQHAJMALZ-MRXNPFEDSA-N 274.383 3.676 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)c1ccccc1OC 452777949 WMJNXHHJHSKYPQ-CYBMUJFWSA-N 275.392 3.517 30 20 CHED CC(C)CCC(=O)Nc1ccc(CC#N)cc1Cl 452650928 VYOCREYJIVDPMY-UHFFFAOYSA-N 264.756 3.781 30 20 CHED CCO[C@H]1C[C@H](Nc2cc(C(C)=O)ccc2C#N)C12CCC2 273257550 XFFDIMWWHASPLA-IRXDYDNUSA-N 298.386 3.520 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2ccc3c(c2)CCC3)no1 278155095 RUGPITIZUOBLAB-ZDUSSCGKSA-N 298.386 3.803 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1C 540467751 VOZPLZKHYVLAID-HFAKWTLXSA-N 290.794 3.766 30 20 CHED CC(C)[C@H]1C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)CCO1 271963178 RQOVQBPEFVHCRE-XGWLTEMNSA-N 290.382 3.552 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC)CCc1ccccc1 624562192 KGEMICRFTNQYKF-INIZCTEOSA-N 274.408 3.615 30 20 CHED C=CCC[C@H](C(=O)N1CCC1(C)C)c1ccccc1 548632439 RLWNWQITTHBGFV-HNNXBMFYSA-N 257.377 3.747 30 20 CHED CO[C@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)CC1 374649811 URDNONRTLLBYHO-LBPRGKRZSA-N 298.308 3.582 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1 466084351 KKHDZOINQWAAMI-HZPDHXFCSA-N 276.424 3.563 30 20 CHED C=CC[C@@H](CC)NC(=O)c1occc1COc1ccccc1 466527266 DSXQKLLFUGWCJU-OAHLLOKOSA-N 299.370 3.943 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 271421584 AOKMKRXREOZEAL-VIFPVBQESA-N 291.725 3.700 30 20 CHED COc1cc(C#N)ccc1NC(=O)C1C[C@@H](C)C[C@H](C)C1 546710458 KZNCHXLKCDQJQK-RYUDHWBXSA-N 286.375 3.578 30 20 CHED C=CCCCCCN1CCC(c2c[nH]nc2C)CC1 375390569 TYWWRHYIJDXYAX-UHFFFAOYSA-N 261.413 3.644 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[C@@H]1C 466712143 WMHKLQZKOVWHBV-UONOGXRCSA-N 292.448 3.882 30 20 CHED C=CCC1(C(=O)Nc2c(C)noc2C)CCCCC1 460070202 WVXYSHBLDZQKAQ-UHFFFAOYSA-N 262.353 3.757 30 20 CHED C=C(C)CCNc1ccc(C(=O)N(CC)CC)cc1 288806595 ZUUVRIKVUFHMKN-UHFFFAOYSA-N 260.381 3.547 30 20 CHED Cc1ccc(C)c(NCCCC2(C#N)CCOCC2)c1 281195890 MXCCZZQJZNIVGM-UHFFFAOYSA-N 272.392 3.816 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCCCCC#N 375851097 KQKHTXZGSMQLOS-KZNAEPCWSA-N 286.419 3.621 30 20 CHED Cc1ccc(-c2ccnn2C)cc1N[C@@H]1CCC[C@@H](C#N)C1 281156009 BBPMVWSDUOQXCN-GDBMZVCRSA-N 294.402 3.890 30 20 CHED C=CC[C@@H](CC)NCc1ccc(SC)c(OC)c1 466402574 YBLKCXTWCFFAAK-CYBMUJFWSA-N 265.422 3.861 30 20 CHED CC(C)(C#N)CCOc1ccc(-c2nncs2)cc1 289335363 FDLPFTUIQCPBPO-UHFFFAOYSA-N 273.361 3.524 30 20 CHED Cc1ccc(CCCC(=O)N[C@@](C)(C#N)C(C)(C)C)s1 464172028 WELGFBCVXKEHLV-INIZCTEOSA-N 292.448 3.824 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H]1CC 460388769 RFBSRZUGBIPHLN-KGLIPLIRSA-N 276.428 3.747 30 20 CHED C=C(C)CN(CC)C(=O)NCc1c(F)cccc1SC 287842016 CTMRUBAXHSJXQN-UHFFFAOYSA-N 296.411 3.655 30 20 CHED CCOC1CC2(CCN(c3ccc(C#N)c(Cl)c3)C2)C1 286499958 WIQPZIJCFRXUTF-UHFFFAOYSA-N 290.794 3.607 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(CCC)CC1CC1 460394556 NYAZYWMDCLHYSW-UHFFFAOYSA-N 276.428 3.604 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccnc(N3CCCC3)c2)no1 558285019 HSNGAXXETNKYPQ-QGZVFWFLSA-N 298.390 3.586 30 20 CHED C=C(C)CCc1noc(-c2ccc(NC(=O)C3CC3)cc2)n1 285125740 MZYOYJXGAUWNLK-UHFFFAOYSA-N 297.358 3.594 30 20 CHED CCC[C@@H](CC)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 288620303 MFAUZPRREJJWAD-OAHLLOKOSA-N 290.382 3.670 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCC[C@H](CCCC(=O)OC)C1 551176075 TUWVTBZQOKLRDD-OWCLPIDISA-N 281.440 3.833 30 20 CHED N#CCCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 291736278 RGKFFCXJDDZOEA-QGZVFWFLSA-N 288.366 3.867 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)NCc1ccc(C#N)cc1 475117965 JEDQMADXLOHNHB-CQSZACIVSA-N 299.418 3.716 30 20 CHED C=CCCCN[C@@H](C)c1cc(Cl)cc(C)c1O 808719034 SGICDHXIAXZTIL-NSHDSACASA-N 253.773 3.971 30 20 CHED CCOc1ccccc1[C@@H](CC(C)C)NCCC#N 298842305 ICQRRSBGFMAINB-OAHLLOKOSA-N 260.381 3.676 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)C(C)C)c1ccc(Cl)cc1F 804419645 SDGOXTZBZPDNOB-HZMBPMFUSA-N 281.758 3.562 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2cccc3ccccc23)nn1 806569765 ZPIQFEMWRWKOPY-ZHACJKMWSA-N 291.354 3.908 30 20 CHED CC[C@](C)(C#N)c1nc(-c2cc3cc(C)ccc3o2)no1 564370942 PBFLIRKYELQBDU-MRXNPFEDSA-N 281.315 3.983 30 20 CHED COc1ccc2cc(NC(=O)C3(C#N)CC(C)C3)ccc2c1 804310458 NUDHJHFBKMVGDL-UHFFFAOYSA-N 294.354 3.727 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC[C@@H](C#N)CCC#N)CC2 563013685 GNDPAJIHKJOWCJ-RDTXWAMCSA-N 281.403 3.830 30 20 CHED C=CCCCCNC(=O)c1ccc(OC)c2ccccc12 471679546 ZGLSPPGTNVKBBE-UHFFFAOYSA-N 283.371 3.935 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(C2CC2)n(C)n1)c1ccccc1 290990258 SLLSGYQRMCSFLE-ZDUSSCGKSA-N 295.386 3.596 30 20 CHED C=CCN(C(=O)CCOc1cccc(F)c1)c1ccccc1 642018142 XTQYUUXMQWAWRL-UHFFFAOYSA-N 299.345 3.814 30 20 CHED CC(C)CC[C@@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 472712819 IHGPRPJWJHEDLS-SFHVURJKSA-N 298.430 3.918 30 20 CHED Cc1ncsc1/C=C1/C(=O)c2ccccc2[C@H]1C 809159367 OJGGHDNYCQVNHH-MRACZJACSA-N 255.342 3.835 30 20 CHED Cc1cc(OC(=O)[C@H]2CC23CCC3)c(C)c(C)c1C#N 809036399 WSDIWIQYUSAFSA-CQSZACIVSA-N 269.344 3.579 30 20 CHED N#CCOc1ccc(COc2cc(Cl)cc(C#N)c2)cc1 806584869 XUFYYGURQQVXBZ-UHFFFAOYSA-N 298.729 3.693 30 20 CHED C=CCC[C@@H](CC)NCc1cc(C)cc(Cl)n1 800495284 MWLZKQICFMKQFM-GFCCVEGCSA-N 252.789 3.878 30 20 CHED C#Cc1ccc(CN(CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 809582137 SPNVDKZFVKABAE-QRVBRYPASA-N 297.442 3.693 30 20 CHED CCOCCC1(CNc2nc(C)c(C#N)cc2Cl)CC1 292676053 QUYKATYDMHSKDK-UHFFFAOYSA-N 293.798 3.534 30 20 CHED CC(C)(C#N)CCN[C@H]1c2ccccc2CC12CCOCC2 290105963 JCVNEWVCFJVWEM-KRWDZBQOSA-N 298.430 3.610 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cc(Cl)cc(C)c1O 808707337 MBOZZLCQBXRQIW-WDEREUQCSA-N 253.773 3.969 30 20 CHED CC(C)(C#N)CCCN[C@@H](c1ccccc1)C(F)F 292754494 ODMCLRSCUYSBGU-ZDUSSCGKSA-N 266.335 3.912 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc2c(O)nccc12 640243028 OGBVLUOXMPEHFR-LBPRGKRZSA-N 299.374 3.807 30 20 CHED Cc1cc(O)nc([C@H](C)Sc2ccc(C#N)c(C)c2)n1 565774637 IRTXIGNYUQYJGX-NSHDSACASA-N 285.372 3.524 30 20 CHED CC#CCCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 568546583 BIAIWWURISNDBT-ZDUSSCGKSA-N 283.337 3.982 30 20 CHED C=CCn1cccc1C(=O)N1CCC(CCC(C)C)CC1 489046608 VIBLYMATZJYEPY-UHFFFAOYSA-N 288.435 3.963 30 20 CHED CCCCN(CC)Cc1ccc(C#N)cc1Br 480764336 PBBYZSYQDJFKMJ-UHFFFAOYSA-N 295.224 3.943 30 20 CHED CC(C)CN(CC(C)C)C(=O)Nc1ccc(C#N)c(F)c1 569973349 FBWKLVCGLRIAQZ-UHFFFAOYSA-N 291.370 3.843 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C)c(C#N)c2)n1 815707940 XHGYCVOLZZOJMP-UHFFFAOYSA-N 267.332 3.770 30 20 CHED C=CCCCCCCCNC(=O)C1(C#N)CCCC1 813256898 MUBUQTYSBPLPGI-UHFFFAOYSA-N 262.397 3.713 30 20 CHED C=CCC(F)(F)C(=O)NCCC(C)(C)c1ccccc1 815102069 FOFXFNYNZGUMKK-UHFFFAOYSA-N 281.346 3.682 30 20 CHED CC(=NNc1cnnn1C)c1ccc(C2CCCCC2)cc1 814981829 IXZBODMECHHVGK-UHFFFAOYSA-N 297.406 3.699 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1cnccn1 812232377 FZXJPGTZVIZSMZ-UHFFFAOYSA-N 268.364 3.745 30 20 CHED CC#CCCCC(=O)NCC1(c2ccccc2F)CCC1 650172186 MPNMNBOXDOKGAS-UHFFFAOYSA-N 287.378 3.557 30 20 CHED CCC(=NNc1cccc(OC)c1)c1cccc(N)c1 814777262 PIOXCORHMBISRL-UHFFFAOYSA-N 269.348 3.504 30 20 CHED CC(C)(C)c1ncc(C=NNc2ccccc2Cl)cn1 814691232 SFVRRJOXRSNGQG-UHFFFAOYSA-N 288.782 3.874 30 20 CHED CN(Cc1ccc2ccccc2c1)c1cccnc1C#N 572174740 DRKOGYBWQJPJAP-UHFFFAOYSA-N 273.339 3.743 30 20 CHED C=CCCNCc1cnc(-c2ccc(C)cc2)s1 657583000 RVOHTRAZMCDZGX-UHFFFAOYSA-N 258.390 3.784 30 20 CHED C[C@@H](CCSc1ccccc1)OC(=O)CCCC#N 812616896 USHSJWJWLOJYMI-ZDUSSCGKSA-N 277.389 3.794 30 20 CHED N#CCCNC(=O)Nc1ccccc1SC1CCCC1 487868346 DXKUWVNYMJKCPO-UHFFFAOYSA-N 289.404 3.756 30 20 CHED C=CCC[C@H](NCc1cc(COC)cs1)C1CC1 658210341 QKPNOKLJSTUYCD-HNNXBMFYSA-N 265.422 3.729 30 20 CHED C=CCOc1ccccc1-c1nc(-c2ncccc2C)no1 575903897 GBWZDOURYKCWBL-UHFFFAOYSA-N 293.326 3.672 30 20 CHED Cc1nnc(C)n1N=Cc1c[nH]c2ccc(C(C)(C)C)cc12 811634491 QKKWNICAVTYNNT-UHFFFAOYSA-N 295.390 3.556 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 488564702 FDSDKTUDIANTPJ-HNNXBMFYSA-N 274.408 3.528 30 20 CHED C[C@@H](C=NNCCCc1ccccc1)c1ccccc1 729146440 XHYNWKQILDWJGB-INIZCTEOSA-N 266.388 3.998 30 20 CHED C=CCCC(=O)Oc1ccc(OC)cc1C(C)(C)C 726499413 WKHKMBYTZVLEMY-UHFFFAOYSA-N 262.349 3.864 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1ccc(C#N)cc1F 572482552 ZBPOLLDDGHIDQO-CYZMBNFOSA-N 264.319 3.629 30 20 CHED C=CCCC(=O)N1CCCC[C@H]1Cc1ccc(OC)cc1 650645044 DNIISXNIHKZODE-INIZCTEOSA-N 287.403 3.585 30 20 CHED CC(C)(C)c1cccc2c1O/C(=C\c1cccnc1)C2=O 727974123 GTFHCUKRTDBWMK-GDNBJRDFSA-N 279.339 3.995 30 20 CHED C=CCCCCN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 829531770 SAMZVJRLCQJBEL-NEPJUHHUSA-N 262.224 3.858 30 20 CHED C=CCOc1ccc(CN[C@H](COC)C2CCCC2)cc1 571188497 UMJPYXHXDUQXKW-GOSISDBHSA-N 289.419 3.546 30 20 CHED CC(C)(C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 821487365 AZBDEYYZYKMICR-UHFFFAOYSA-N 279.409 3.837 30 20 CHED C[C@H](C[C@H](O)c1ccccc1)NC1CCC(C)(C#N)CC1 824057608 HUOOCMIXLWQWOT-YKWDICOMSA-N 286.419 3.561 30 20 CHED C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@@H]12 499625362 KXLHLPIZDDGEKX-IXDOHACOSA-N 290.451 3.597 30 20 CHED Fc1cccc(C=NOCc2nc3ccccc3s2)c1 824217713 FGPNLXBVNBCNAQ-UHFFFAOYSA-N 286.331 3.986 30 20 CHED Cc1csc(NC(=O)N2CC[C@H](C)C(C)(C)C2)c1C#N 571774972 VLGLJWACXAZLQT-NSHDSACASA-N 291.420 3.828 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N(CC)CC#N 492165949 DOHVZCYNDGYEFF-OAHLLOKOSA-N 264.413 3.745 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC1(Cl)Cl 823624067 PLHXIHSIAMWCPP-ZWNOBZJWSA-N 283.202 3.745 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCC1Cc2ccccc2C1 589513065 UJVXMQFLBWQWGA-HXUWFJFHSA-N 288.394 3.550 30 20 CHED C=CC[C@H]1CCCN(CC(=O)Nc2cccc(C)c2C)C1 661378474 HGMSJQHJHLVGNK-INIZCTEOSA-N 286.419 3.530 30 20 CHED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1ccccc1 588598979 FJCWNQHHYIMXJQ-QXMHVHEDSA-N 274.323 3.973 30 20 CHED C=CC[C@@H]1CCCN(CCCCCn2cc(C)cn2)C1 661379704 HDLFYPVVSOFVRW-QGZVFWFLSA-N 275.440 3.650 30 20 CHED C=CCN(C(=O)Nc1ccccc1C(C)C)[C@H](C)COC 664319561 MFPHVWFRRBBTMX-CQSZACIVSA-N 290.407 3.865 30 20 CHED C#CC[C@@H](NC(=O)/C(F)=C(/C)C1CC1)c1ccccc1 901218902 OMOORUMCIVUCMC-XYGUXCPDSA-N 271.335 3.521 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H](C3CC3)C2)c1 497749627 ZFMLGUDLOOZGHN-GFCCVEGCSA-N 280.293 3.813 30 20 CHED COc1ccc(CCCN(C)Cc2ccccc2C#N)cc1 497463054 LFERQXXLJZLGRN-UHFFFAOYSA-N 294.398 3.631 30 20 CHED Cc1cc2cc(C=NN[C@H]3CCOC3(C)C)oc2cc1C 835018104 VMSCNXLEGDSBLL-INIZCTEOSA-N 286.375 3.541 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(C)c(C)cc1Cl 836712913 RZPSEUFWIDKEMV-UHFFFAOYSA-N 273.163 3.831 30 20 CHED CC(C)CC[C@@H]1CCC(=NN[C@H]2CCSC2)C1 834980240 QJWCPUJTYIWQFI-OCCSQVGLSA-N 254.443 3.674 30 20 CHED CCCC(CCC)=NNCCc1ccc(OC)cc1 737439809 IYJPIWPNVCDSDS-UHFFFAOYSA-N 262.397 3.784 30 20 CHED Cc1ccc(C[C@@H]2CCCN(c3cccc(C#N)n3)C2)cc1 584667927 BPRXYBPNYHIKCG-KRWDZBQOSA-N 291.398 3.721 30 20 CHED COc1cc(COC(=O)C#CC(C)(C)C)ccc1SC 838372869 WMOKOXLDUKWMDG-UHFFFAOYSA-N 292.400 3.510 30 20 CHED CC[C@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 902999386 ODWLWBPFQWJEQU-QZHFEQFPSA-N 298.430 3.540 30 20 CHED CCON=C(C)c1cnn(-c2cccc(Cl)c2)c1C 731559024 QGAFRVWQXHRLLF-UHFFFAOYSA-N 277.755 3.595 30 20 CHED CCO[C@@H]1CCC[C@H](N[C@H](CCC#N)c2ccccc2)C1 902884948 QCRLNLDSFSCGCZ-RCCFBDPRSA-N 286.419 3.969 30 20 CHED CC(C)COc1ccc(/C=C2/CCn3ccnc3C2=O)cc1 901538166 XMGVENFSKNUZGT-PTNGSMBKSA-N 296.370 3.588 30 20 CHED C=C[C@H](C)N[C@@H]1CCc2ccc(OC(F)(F)F)cc21 675934354 QTTRGILWBLKFIR-TVQRCGJNSA-N 271.282 3.737 30 20 CHED C=C(C)COC(=O)c1occc1COc1ccccc1 839226620 ZYZSWVFCQHGCLN-UHFFFAOYSA-N 272.300 3.592 30 20 CHED CCC#C[C@H](C)N[C@H](C)c1ccc(SCCOC)cc1 678765269 IQQOTZGYGDNJQR-LSDHHAIUSA-N 291.460 3.878 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)O 901689910 HZFADKKSYCDEQF-ILXRZTDVSA-N 281.440 3.990 30 20 CHED C=C[C@@H](CC(=O)Oc1ccc(C(=O)O)cc1)c1ccccc1 833371391 OPADZXLMKQNVJP-ZDUSSCGKSA-N 296.322 3.650 30 20 CHED C=C(C)CNc1cc(NC(=O)C(C)(C)C)ccc1C 732570306 AVXHYASOTVNYED-UHFFFAOYSA-N 260.381 3.968 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(F)c1 581279831 KVZNXQBSFZCWOT-AWEZNQCLSA-N 289.354 3.740 30 20 CHED C=CC(C)(C)CNC(=O)/C=C\Sc1ccccc1 836828815 PIWCLXYPMPPZHU-KHPPLWFESA-N 261.390 3.621 30 20 CHED CCCCCCCC(=O)N[C@@H](C)COc1ccccc1 917775904 HMLYMTQGWCRWNO-HNNXBMFYSA-N 277.408 3.931 30 20 CHED CC(=NNC(=S)NC1CCCCC1)c1ccc(C)s1 917024885 BOMYEQRYDPPZSO-UHFFFAOYSA-N 295.477 3.577 30 20 CHED C=CCCc1csc(-c2ccc(C(=O)O)cc2)n1 833374867 JYSDTPJVNZPPSL-UHFFFAOYSA-N 259.330 3.627 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593959216 RWYFRVCNMFHXMV-IIDMSEBBSA-N 298.430 3.774 30 20 CHED O=C(NO)c1ccc(/C=C/c2ccc3ccccc3n2)cc1 671997359 BJTCHTMWHMEGGL-YRNVUSSQSA-N 290.322 3.524 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(C)cc2)C12CCC2 741159670 CEDQJRGTMNLUCD-OAHLLOKOSA-N 258.365 3.742 30 20 CHED CC(Cc1ccccc1C)=NNc1ccc(F)cn1 743442077 RAMDKKDPLVTQMX-UHFFFAOYSA-N 257.312 3.560 30 20 CHED C=CCN(C(=O)CCSc1ccc(C)cc1)C(C)C 915147741 IBLIVTSSYYXMDE-UHFFFAOYSA-N 277.433 3.900 30 20 CHED C[C@@H](/N=C/c1ccccc1O)c1cccc(-n2cccn2)c1 745977224 RPRLDIQZCOBVOD-NFECSFHCSA-N 291.354 3.758 30 20 CHED N#CCCCCOC(=O)CCc1ncc(-c2ccccc2)o1 914621041 WDJXZFCERPCAJR-UHFFFAOYSA-N 298.342 3.511 30 20 CHED N#CC1(CCOC(=O)/C=C\c2ccco2)CCCCC1 840013348 VOTQUPSZYCEUAZ-SREVYHEPSA-N 273.332 3.700 30 20 CHED N#CC1(CSCc2ccnc(Br)c2)CCC1 842193124 FUJAWBJBIMRQSI-UHFFFAOYSA-N 297.221 3.771 30 20 CHED N#CCC1(COC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 744277981 DPGIBFKNHRCUHM-QWRGUYRKSA-N 289.297 3.592 30 20 CHED N#CC1(CCOC(=O)[C@@H]2CC=CCC2)CCCCC1 840063601 KLNNNSMXAWWUQB-CQSZACIVSA-N 261.365 3.750 30 20 CHED C=CCC1(C(=O)OCc2cc(C3CC3)no2)CCCC1 849799649 QITSIQYGPQFLSC-UHFFFAOYSA-N 275.348 3.732 30 20 CHED CCc1ccccc1C/N=C\c1cc(OC)ccc1O 740616609 OHUCKMPOIFIDTL-PDGQHHTCSA-N 269.344 3.582 30 20 CHED Cc1ccc(C2(C(=O)N[C@@](C)(C#N)CC(C)C)CCC2)cc1 591757540 DMWPBROWBXEUJF-GOSISDBHSA-N 298.430 3.861 30 20 CHED C=CCCCC(=O)N1CCc2cc(F)ccc2[C@@H]1C 748544965 NWFKRSDAZAOYNI-LBPRGKRZSA-N 261.340 3.628 30 20 CHED N#C[C@@H](C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2ccccc2n1 916848526 DDQBQZLUBWJHLG-QCEMKRCNSA-N 290.366 3.847 30 20 CHED CN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ccc(C#N)nc1 593275347 GFPKSGWWZWZBFY-IAOVAPTHSA-N 297.402 3.523 30 20 CHED CC(C)O[C@@H](CN1CCC[C@H](CC#N)C1)c1ccccc1 595622816 DOSMCFAMIOCMTB-AEFFLSMTSA-N 286.419 3.778 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 748224534 CFJQKUXSFDOJSI-NSHDSACASA-N 263.293 3.555 30 20 CHED CO[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C1CCCCC1 595093728 ONLUPMRDPNRJMK-OALUTQOASA-N 298.430 3.730 30 20 CHED C=CCN(CCc1ccccc1)C(=S)NC1(C)CCC1 840722932 RBKMWFHCRWTYBH-UHFFFAOYSA-N 288.460 3.534 30 20 CHED C[C@@H]1CC(=NNc2cnc3ccccc3n2)C[C@@H](C)C1 747751916 TWYLTOQCQQZLNP-RYUDHWBXSA-N 268.364 3.854 30 20 CHED Cc1ccoc1C=NNc1ccc(C#N)c(C(F)(F)F)c1 743438009 KEXBQUMMFOBWQC-UHFFFAOYSA-N 293.248 3.925 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc(OC(C)(C)C)n1 925671805 RBITVFUETBGUQB-ZDUSSCGKSA-N 289.423 3.677 30 20 CHED C=C(C)CCc1noc(-c2csc(Cl)c2)n1 685384959 IYPFRGDKAJEXRN-UHFFFAOYSA-N 254.742 3.960 30 20 CHED C[C@H](NN=Cc1cc(Cl)ccc1O)c1ccccc1 920386179 STPULJYNXZMZTM-NSHDSACASA-N 274.751 3.730 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnc2c(cnn2C(C)C)c1 929551960 LQWVPFHXTCGYRP-GFCCVEGCSA-N 286.379 3.553 30 20 CHED Cc1n[nH]c(C)c1/C=C1\COc2ccc(C(C)C)cc2C1=O 920068880 SKJXHSDAXASRBB-RIYZIHGNSA-N 296.370 3.809 30 20 CHED C#CC[C@@H](Nc1ccc(F)cc1C#N)c1ccccc1 756952898 FNINFGCQGBKWJF-MRXNPFEDSA-N 264.303 3.874 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1F 752880182 HLRTXDYGYAXPKG-QPJJXVBHSA-N 289.237 3.769 30 20 CHED CC(C)CCOC(=O)c1ccc(C(F)(F)F)cc1C#N 757884104 UYCKGAPJOGZZJO-UHFFFAOYSA-N 285.265 3.780 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccnc(-c3ccco3)c2)no1 924265230 PUQQBYMXDRZVCV-INIZCTEOSA-N 294.314 3.583 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccccc1C)OCC 756533845 WQKPYNZVBKUYGZ-HOCLYGCPSA-N 276.376 3.971 30 20 CHED CCC[C@H](C)C(CC)=NNc1ncccc1[N+](=O)[O-] 759202528 ZBEDAGBALVVEMW-JTQLQIEISA-N 264.329 3.604 30 20 CHED C=CCCOCC(=O)O[C@H](CC)c1ccc(Cl)cc1 920839447 AXRRUNFAQJUQJQ-CQSZACIVSA-N 282.767 3.927 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2OCC(C)C)CC1 929848758 FSEHZWAXTYWKMR-UHFFFAOYSA-N 288.391 3.905 30 20 CHED N#Cc1ccccc1COC(=O)C1CCC2(CC1)CC2 850266024 WGNBOFLIOTYXSB-UHFFFAOYSA-N 269.344 3.572 30 20 CHED C#CC[C@@H](NC(=O)N[C@H](CC)CCC)c1ccccc1 757017472 JPVJEVOMPLNAIZ-HZPDHXFCSA-N 272.392 3.629 30 20 CHED C#CCN(Cc1cccc(C(F)(F)F)c1)CC1CC1 1335433353 NXYPWPGWSKFXPN-UHFFFAOYSA-N 267.294 3.551 30 20 CHED Cc1cc(NN=Cc2cc3ccccc3s2)nc(C)n1 758372169 JZGBYCWATRFFRG-UHFFFAOYSA-N 282.372 3.754 30 20 CHED C#C[C@H](C)N(C)C(=O)/C(C)=C\c1c(Cl)cccc1Cl 767244334 UXIXNTJMUVGCAZ-JUDLJHIGSA-N 296.197 3.877 30 20 CHED C#C[C@@H](OC(=O)c1cccc(-c2ccoc2)c1)C1CC1 767527023 PJZAFMATALJBKJ-MRXNPFEDSA-N 266.296 3.515 30 20 CHED FC(F)(F)c1ccccc1NN=Cc1cncs1 767742748 JORKAJIBVDVOAH-UHFFFAOYSA-N 271.267 3.608 30 20 CHED Nc1ncccc1C=NN=C1c2ccccc2-c2ccccc21 764669375 MQISDMKMRABHJJ-UHFFFAOYSA-N 298.349 3.516 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(Cl)cc1C 860455291 FHFYWRVOXTTZAA-UHFFFAOYSA-N 265.740 3.884 30 20 CHED CCO[C@@H](C(=O)Oc1ccc(C#N)c(C)c1)c1ccccc1 765094606 MWSDAGYHNROARY-QGZVFWFLSA-N 295.338 3.550 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(F)cc1 767335418 DCYSSSMXOXVFTK-UHFFFAOYSA-N 253.280 3.533 30 20 CHED Cc1cc(C)cc(C(=O)OC[C@H](C#N)Cc2cccs2)c1 767144895 PKRHAJXUFGSDRE-AWEZNQCLSA-N 299.395 3.904 30 20 CHED FC(F)(F)c1ccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)nc1 762417802 JNWJZTYPOVZQQN-GARJFASQSA-N 283.297 3.934 30 20 CHED Cc1cc(C)c(C#N)c(N(C)[C@@H](C)c2ccc(F)cc2)n1 1115819292 RWWDWVFSMOQMST-ZDUSSCGKSA-N 283.350 3.907 30 20 CHED COc1ccsc1C(C)=NNc1cccc(C)c1 769764660 BQWHRHDIQZQXBV-UHFFFAOYSA-N 260.362 3.901 30 20 CHED CCCCCCC=NNc1cc(C#N)cc(Cl)n1 768374676 IHNVEWVUEFUMRZ-UHFFFAOYSA-N 264.760 3.975 30 20 CHED C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)OCCCCC(C)(C)C#N 768718338 KMRMKLFCNOTQJN-RBSFLKMASA-N 294.439 3.511 30 20 CHED C=CCOc1cccc(NC(=O)CC#Cc2ccccc2)c1 1116271179 IFLKQQJVVPNTQC-UHFFFAOYSA-N 291.350 3.632 30 20 CHED CCc1cnccc1C(C)=NNc1cccc([N+](=O)[O-])c1C 765571275 FQHRZNRJQVCZDJ-UHFFFAOYSA-N 298.346 3.697 30 20 CHED N#CC1CCN(Cc2csc(-c3cccs3)n2)CC1 57907995 PJXBBHBGSOGXEZ-UHFFFAOYSA-N 289.429 3.607 30 20 CHED C=CCN(C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)C(C)C 772523222 JGXBOPJDUQWNGZ-GHMZBOCLSA-N 280.334 3.569 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1ccccc1)c1ccccn1 878091605 GWDFBEXVOVDKBM-GOSISDBHSA-N 294.398 3.890 30 20 CHED CC(=NNc1cccc2ccccc12)c1cnn(C)c1C 778540413 ODZRFZHELARNFU-UHFFFAOYSA-N 278.359 3.718 30 20 CHED C#CCCCCCCN[C@H](C)c1ccc2c(c1)CCC(=O)N2 876938970 CSLYICIZOIPKJL-OAHLLOKOSA-N 298.430 3.806 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(C)c(OC)c2)c1C 773140248 QEVXZXXTIADRTM-KTKRTIGZSA-N 298.386 3.733 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CC#N)C1 1118771704 NHCLRZIPMMVNDT-HOCLYGCPSA-N 276.424 3.745 30 20 CHED COC(=O)c1coc(/C=C2\C(=O)c3cccc(C)c3[C@H]2C)c1 774134684 MTVHJBPUTABXLZ-LWHXSLQUSA-N 296.322 3.758 30 20 CHED CC(CSC(C)(C)C)=NNc1ccc2[nH]ncc2c1 779810880 AGYUFXMSNSXRMX-UHFFFAOYSA-N 276.409 3.882 30 20 CHED N#C[C@@H](OC(=O)CCc1cccc2ccccc12)C1CC1 870221959 UCMHKSONWYRZHT-QGZVFWFLSA-N 279.339 3.618 30 20 CHED C#C[C@@H](NC(=O)c1ccc2cc(OC)ccc2c1)C(C)(C)C 1117476660 CGZNZABQYCLJSA-QGZVFWFLSA-N 295.382 3.626 30 20 CHED N#CCc1cccc(N[C@@H](c2ccccc2)C2CC2)n1 1116735246 QWPNIKXDVIROIT-KRWDZBQOSA-N 263.344 3.711 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](F)Cc2ccccc2)c1 777986366 ZTNQCHMGCIIQDF-SFHVURJKSA-N 295.357 3.602 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2ccccc2F)s1 1116615884 QFRMOIDNUWUCEB-GFCCVEGCSA-N 291.391 3.845 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2ccccc2Cl)c1 774104650 JTMVYEGRODFSFY-VOTSOKGWSA-N 290.702 3.616 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)c1cccc(C)c1 779882331 RRMOBSZRQDGKMM-UHFFFAOYSA-N 285.431 3.973 30 20 CHED C=C(C)COCCN[C@@H](CC)c1cc(Cl)ccc1O 775522018 HJHRVHJIPCTBQW-AWEZNQCLSA-N 283.799 3.679 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Nc1ccnn1C 775753520 QIICCWYYYUWITQ-CYBMUJFWSA-N 280.416 3.538 30 20 CHED CC[C@@H](C(=O)OCCC(C)(C)C#N)c1ccc(OC)cc1 776400267 RZOVWWYMKJGOER-OAHLLOKOSA-N 289.375 3.672 30 20 CHED C[C@H]1CC(C(=O)Oc2ccc(C#N)cc2)C[C@H](C)C1 779706086 KUIFGPWHJXBDJM-VXGBXAGGSA-N 257.333 3.536 30 20 CHED C[C@H](C#N)CN(C)Cc1csc(C2CCCCC2)n1 64798440 WHGUSTFFQAADAX-GFCCVEGCSA-N 277.437 3.782 30 20 CHED N#Cc1cccc(Oc2ccnc(N3CCCCCC3)n2)c1 881732736 NEWDYZWOTVDIIE-UHFFFAOYSA-N 294.358 3.521 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2coc3ccccc23)c1 774136696 RSVXKQBHWCEXAE-SREVYHEPSA-N 296.278 3.709 30 20 CHED C#CCCCC(=O)Nc1ccc(N2CCCCC2)c(F)c1 882649836 GBSDESOPKSTQRW-UHFFFAOYSA-N 288.366 3.558 30 20 CHED C#CCCCCCC(=O)NC[C@]1(C)CCCc2ccccc21 779952295 YSILYDFRUYIXQY-FQEVSTJZSA-N 297.442 3.981 30 20 CHED C=CCCc1ccccc1NC(=O)N(C)CCCF 888119309 AQYLFVXCGYZZFS-UHFFFAOYSA-N 264.344 3.629 30 20 CHED Cc1ccc(C(=O)Oc2ccc(C#N)cc2)c(F)c1Cl 789398757 CAFPDAQKJAEHKT-UHFFFAOYSA-N 289.693 3.878 30 20 CHED CC#CCCCC(=O)OCc1cccc(Cl)c1F 786312300 XPOAOJMLYNINMF-UHFFFAOYSA-N 268.715 3.716 30 20 CHED C[C@H](OC(=O)c1ccnc(C2CC2)c1)c1ccc(C#N)cc1 783400345 INKUCGWFTGRACF-LBPRGKRZSA-N 292.338 3.749 30 20 CHED C[C@H]1CC[C@H](CON=C(c2ccccc2)C(F)(F)F)O1 789084120 MPBDDZLYCQXOMC-CMPLNLGQSA-N 287.281 3.537 30 20 CHED C[C@@H](NC(=O)CCCc1ccsc1)c1cccc(C#N)c1 783055591 BFPPEHIJFDUEDM-CYBMUJFWSA-N 298.411 3.820 30 20 CHED C=CCCCCNC(=O)Nc1ccc(Cl)nc1C 788802493 UROJXEDZBIYQHI-UHFFFAOYSA-N 267.760 3.521 30 20 CHED Cc1ccc(NC(=S)N2CCC[C@](C)(C#N)C2)cc1C 783772025 AIGWISKAIYLCCM-MRXNPFEDSA-N 287.432 3.626 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1sc(C)nc1C 782302821 UPHWXRBGQVTOLH-GFCCVEGCSA-N 265.426 3.652 30 20 CHED C#CCC1(C(=O)Nc2cc(C)cc(C)n2)CCCCC1 788231519 DCXGMPWFSSSNFE-UHFFFAOYSA-N 270.376 3.611 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)[C@]1(C)CCCO1 782242657 JGYSKWNKBDRLJD-ZDUSSCGKSA-N 270.735 3.836 30 20 CHED Cc1nc(C#N)cc(-c2cc(Cl)ccc2Cl)n1 409437414 GKRVMSASMKJZFN-UHFFFAOYSA-N 264.115 3.631 30 20 CHED COc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1C#N 782194814 RBYGXBAGLGIGGW-RQOWECAXSA-N 298.729 3.511 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(NC(=O)C(C)C)cc1 785603476 ZGVXEXUTIMHYOT-QGZVFWFLSA-N 289.375 3.789 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc(CC)cc1 785752127 BMWKCOWOHIGEEE-KRWDZBQOSA-N 274.360 3.577 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1occ2c1CCC2 1131134028 CZSMYNZCLXXSGZ-UHFFFAOYSA-N 286.718 3.546 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@@H](C(C)(C)C)C1)c1ccccc1 784396835 IQYBYASOHMCESW-IAGOWNOFSA-N 298.430 3.829 30 20 CHED Cn1ncnc1/C=C\C(=O)c1ccc(C2CCCCC2)cc1 899335642 GUKQUFJNUAQMHM-QXMHVHEDSA-N 295.386 3.759 30 20 CHED CC(C)C1CCC(C=NOC2CCOCC2)CC1 794930282 GHJILVLOHZVPRX-UHFFFAOYSA-N 253.386 3.630 30 20 CHED C=CCC(C)(C)C(=O)Oc1cccc(Br)c1 796714632 XLEBNKCNVPZFAC-UHFFFAOYSA-N 283.165 3.957 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Br)c(C)c1 393838228 ORRBAURRRGEQQW-GFCCVEGCSA-N 296.208 3.842 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1ccc(Cl)cc1 796836838 RJWHOTWQAUPKNM-YGRLFVJLSA-N 265.740 3.884 30 20 CHED COc1cc(/C=C\C(=O)c2ccsc2)ccc1C#N 799497304 NNWWCXIFCIGZHT-HYXAFXHYSA-N 269.325 3.524 30 20 CHED C=CCC(C)(C)C(=O)OCc1cnccc1OC(C)C 797254728 PZILPRFCQVSJDR-UHFFFAOYSA-N 277.364 3.514 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cc(C#N)cs2)c(O)c1 799895041 JMYBJEZUOCRUHM-ARJAWSKDSA-N 283.352 3.838 30 20 CHED Cc1cnc([C@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)o1 795985677 MEEWUZDPHVWOLA-DZGCQCFKSA-N 298.342 3.675 30 20 CHED C=CCCCCCOC(=O)c1cccc([N+](=O)[O-])c1OC 796310717 ROAISQMRQFICEK-UHFFFAOYSA-N 293.319 3.507 30 20 CHED COc1ccccc1CON=C(C)c1ccc(F)cc1 799117014 GVSMNWQHDNOAJH-UHFFFAOYSA-N 273.307 3.775 30 20 CHED C=C(C)CNC(=S)N1CC[C@H](c2ccc(C)cc2C)C1 795003664 SHTMSVYRLREGOH-HNNXBMFYSA-N 288.460 3.543 30 20 CHED C#CCCCCNC(=O)CC(C)(C)C1CCCCC1 793648543 YXGIYRJQUKSIRE-UHFFFAOYSA-N 263.425 3.903 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OC2CCCCC2)cc1 796508460 WXMJWCPBBGXQCC-UHFFFAOYSA-N 271.360 3.977 30 20 CHED Clc1ccc(C=NOCCCC2CCOCC2)cc1 790427234 ZNPWRGGBANJQDP-UHFFFAOYSA-N 281.783 3.897 30 20 CHED Clc1cccc(CNN=C2CCCC23CCOCC3)c1 799881896 ZWVQSIPYJFSIPR-UHFFFAOYSA-N 292.810 3.766 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NN=C1CC(C(F)F)C1)C2 794541143 JUTCXSPSZUYUMI-POHNELQRSA-N 270.367 3.822 30 20 CHED COc1cccc(/C=N/Cc2ccc3[nH]c(C)cc3c2)c1O 794689986 VURMNOXRBKNIEK-YBFXNURJSA-N 294.354 3.810 30 20 CHED C=CCC1(NCc2n[nH]c3ccccc23)CCCC1 657702927 QUJDEHXFVZFSPD-UHFFFAOYSA-N 255.365 3.541 30 20 CHED CC(C)(C)C1CCN(N=Cc2cnn(C(C)(C)C)c2)CC1 790178637 GKIFPHSDPSHRTP-UHFFFAOYSA-N 290.455 3.730 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1 85069465 IBKUUMUXXGIZDK-KGLIPLIRSA-N 262.397 3.545 30 20 CHED C#CCCN(Cc1cccc(C(F)(F)F)c1)C(C)C 760819314 IYJLNCFJFMVIQJ-UHFFFAOYSA-N 269.310 3.939 30 20 CHED Cc1ccc(NN=Cc2cccnc2C)cc1Cl 1318317313 XNHAYNRDCNWZIW-UHFFFAOYSA-N 259.740 3.798 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)CC#Cc1ccccc1 1319212893 QQWAQFNDNBWASR-LJQANCHMSA-N 289.378 3.540 30 20 CHED Cc1ccc(CN(CC2(CC#N)CC2)C2CC2)cc1C 1191164678 JBLLAZKFTMYXKU-UHFFFAOYSA-N 268.404 3.962 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(CC(C)C)cc1 1320592096 MWCKTZFWVBTOOE-PBHICJAKSA-N 261.409 3.737 30 20 CHED COc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)ccc1F 1326680973 PXGMIWYRXDTWJP-CYBMUJFWSA-N 298.361 3.899 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2CCC2CCCC2)n1 1179924886 LBMHLBMEOPPUHR-SFHVURJKSA-N 283.419 3.888 30 20 CHED N#CC1(NC(=O)c2ccc3c(c2)oc2ccccc23)CCC1 1327857839 GCUDPVHROWUMED-UHFFFAOYSA-N 290.322 3.762 30 20 CHED COCC(=NOC(C)(C)C)c1cccc(Cl)c1 1324259015 YQRBXSWPHCKLMK-UHFFFAOYSA-N 255.745 3.506 30 20 CHED CCOc1cccc([C@@H]2C[C@@H]2Nc2cccc(CC#N)n2)c1 1320656280 QNKGKQNWMHACDJ-IRXDYDNUSA-N 293.370 3.514 30 20 CHED C[C@@H]1C[C@@H](C=NOC(C)(C)C)CCN1C(=O)OC(C)(C)C 1323618793 QFGXHQBGXALMHQ-OLZOCXBDSA-N 298.427 3.823 30 20 CHED N#Cc1cccc(-c2nnc([C@H]3C[C@H]4CC[C@H]3C4)o2)c1 1326307005 WYYQYKCFQWFRCA-JKOKRWQUSA-N 265.316 3.512 30 20 CHED CCCCCCCC(=O)N1CC[C@H](OC)C(C)(C)C1 1325305803 WNXXQWYUWZHCRE-AWEZNQCLSA-N 269.429 3.620 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2nc3ccccc3o2)CC1 1331688539 AYVAUAVYGZSTSV-AWEZNQCLSA-N 297.402 3.947 30 20 CHED N#Cc1cccc(Br)c1NCCCC(F)F 1335095096 YWIFRWYXJZVQPO-UHFFFAOYSA-N 289.123 3.778 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc2c(Cl)nccc12 1262092045 DWZPBOQPOFLDHX-UHFFFAOYSA-N 287.750 3.767 30 20 CHED Cc1cccc(C2(C(=O)N(C)[C@@H](C)CC#N)CCCC2)c1 1350037554 NOGFIGZIUMIDIA-HNNXBMFYSA-N 284.403 3.567 30 20 CHED CCN(C(=O)c1ccc2c(c1)oc1ccccc12)[C@@H](C)C#N 1280443868 YNWGCKUHAMROAF-LBPRGKRZSA-N 292.338 3.960 30 20 CHED CC(C)[C@H](CNC(=O)c1ccsc1C#N)c1ccccc1 1524975916 UDYUNGUCVCGYSS-HNNXBMFYSA-N 298.411 3.789 30 20 CHED Cc1ccc(C(=O)NC(C)(C)c2ccccc2C)cc1C#N 1523454742 XGOMWEWHYOTJDY-UHFFFAOYSA-N 292.382 3.840 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCN(c2ccccc2C#N)CC1 1459413016 LXJMEGBZHOPMBT-SJLPKXTDSA-N 297.446 3.507 30 20 CHED Cc1ccc2cc(C(=O)/C=C\c3c[nH]c(C(=O)O)c3)oc2c1 1600498856 UNEIERQEURKZAP-HYXAFXHYSA-N 295.294 3.664 30 20 CHED C=CCC[C@@H]1CCCN1Cc1ccc(C2(C(=O)O)CC2)cc1 1602860534 GSEKRGAOTMLAMI-QGZVFWFLSA-N 299.414 3.733 30 20 CHED C=CC[C@@H]1CCC(=NNc2cccc(C(=O)O)c2F)C1 1602851398 JRYGHYXSCPWDKB-SNVBAGLBSA-N 276.311 3.668 30 20 CHED Cc1cc(F)cc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 1545541109 PHOCJIZXRBPSFV-OAHLLOKOSA-N 296.345 3.845 30 20 CHED CCc1ccccc1CCOc1cccc(C#N)c1 1559351909 RHRYUUMHSUFAOJ-UHFFFAOYSA-N 251.329 3.742 30 20 CHED COc1c(F)cc(N[C@H](C)CC(C)(C)C#N)cc1F 925772058 PQNRUUDGRPAKKI-SECBINFHSA-N 268.307 3.714 30 20 CHED CC(C)c1ccc(CCN2CCC[C@@](C)(C#N)C2)cc1 1560702773 FEGARKUFRCKGDY-SFHVURJKSA-N 270.420 3.978 30 20 CHED Cc1ccccc1CN(CC1(CC#N)CC1)C1CC1 1644430889 VBFLXTYQGUNYNZ-UHFFFAOYSA-N 254.377 3.653 30 20 CHED CCC[C@H](C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12)C(C)C 1583609261 WFGSUFXTZUQPMY-ZDUSSCGKSA-N 298.390 3.754 30 20 CHED CC1(C)CCc2ccccc2[C@H](Nc2cc(C#N)cnn2)C1 1650999280 BZUQMOVYCBSPJH-MRXNPFEDSA-N 292.386 3.864 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 5679631 HRKZQNPHONXQOB-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC(C)(C)c1csc(NC(=O)NCC2CCC2)c1C#N 1677860057 CYFXGSCUFYWFGU-UHFFFAOYSA-N 291.420 3.839 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(C(=O)O)c1 1776145281 TVQNJBAGRBYPCN-GASCZTMLSA-N 291.778 3.721 30 20 CHED CCCCCC[C@@H]1CCCC1=NN[C@H](CC)C(=O)O 1776065868 WNZWAWPVVDSTMS-CHWSQXEVSA-N 268.401 3.566 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCC[C@@H](C)CCC)C1 1776156364 BLUPLDOUGDRWHC-DOTOQJQBSA-N 281.440 3.946 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)s1 247114313 FEIZSWBPVRVPDU-QPHLWMPCSA-N 272.417 3.534 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 162702455 ICHXGEFNEOSZGF-MRXNPFEDSA-N 290.382 3.884 30 20 CHED CCS[C@H](C)c1noc(CSCCCCC#N)n1 162711318 SYWUIYZVXDHWKE-SNVBAGLBSA-N 285.438 3.811 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)cc2)n1 160229695 CPHCGTRZTUYDGD-SFHVURJKSA-N 277.371 3.599 30 20 CHED C=CCCCN(C)C(=O)[C@H](C)Cc1ccc(Cl)cc1 152629075 KBIOEBTVBPXZRB-CYBMUJFWSA-N 279.811 3.943 30 20 CHED CC(C)(C#N)CCCNc1ccc(NC(=O)C2CC2)cc1 152754692 IDKOFYIRPFPUHP-UHFFFAOYSA-N 285.391 3.777 30 20 CHED COCCC1(C/N=C/c2cc3ccccc3nc2O)CCC1 155036401 ZPNMCRFFJWFDDT-XDHOZWIPSA-N 298.386 3.566 30 20 CHED COc1ccc(OC[C@H](C#N)CCC#N)c2ccccc12 153801949 CJMAPSASKLEMSD-ZDUSSCGKSA-N 280.327 3.671 30 20 CHED C=CCCCCCN(C)C(=O)c1ccn(-c2ccccc2)n1 156728352 BMWCUQPGOSVTEI-UHFFFAOYSA-N 297.402 3.691 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc21 154923810 OMYUAQLNAYCIHH-LLVKDONJSA-N 296.757 3.976 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2cccc(C#N)c2)o1 19922032 CKTJZUDYOXNFOJ-XHDPSFHLSA-N 252.317 3.887 30 20 CHED COc1cc(CN(C)[C@H]2CCC[C@@H](C)C2)ccc1C#N 234938076 HNSKTZGLXQHWML-CJNGLKHVSA-N 272.392 3.577 30 20 CHED CSC1(CNCc2ccc(C#N)cc2)CCCCC1 235271472 HXVXSLRGVZDJFS-UHFFFAOYSA-N 274.433 3.714 30 20 CHED CC[C@](C)(C#N)NC(=O)c1oc2ccc(Cl)cc2c1C 127419686 OCVAXHULQYWQKT-OAHLLOKOSA-N 290.750 3.817 30 20 CHED C[C@@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 251783769 UAFCAZZBOADJAD-QCPWZWHMSA-N 254.377 3.645 30 20 CHED C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C 162214858 MNQYSRIBYHCBIE-UHFFFAOYSA-N 296.754 3.675 30 20 CHED Cc1cccc(CN(C)c2nc(C)cc(C)c2C#N)c1 48346682 GXUMHRGPXGEEBJ-UHFFFAOYSA-N 265.360 3.515 30 20 CHED Cn1cc(CNc2cccc(C3CCC3)c2)cc1C#N 291337990 VMPOCFIRMICDTA-UHFFFAOYSA-N 265.360 3.776 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CCC[C@H](C)C2)c1 308133951 MMKXQEUDHIPMKM-SMDDNHRTSA-N 256.349 3.632 30 20 CHED C[C@H]1CCCC[C@]1(C)NCc1cccc(C#N)c1F 308697145 GDYCNCVASOJBMS-LRDDRELGSA-N 260.356 3.756 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)Cc1ccccc1Cl 404181113 AELCEXFALBNPTP-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccnc1 348231817 HZSQUZUPMWSQRF-UHFFFAOYSA-N 252.361 3.660 30 20 CHED C=CCCCN1CC[C@@H](C)N(Cc2ccccc2)CC1 464843347 TXBPNAVCCKRESD-QGZVFWFLSA-N 272.436 3.549 30 20 CHED C=CCN(Cc1ccccc1)Cc1ncc(Cl)s1 352010970 MHUNBFROGMCRJS-UHFFFAOYSA-N 278.808 3.985 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)c1ccccn1 355071317 QHCGFLOPNQSQMD-HNNXBMFYSA-N 252.361 3.831 30 20 CHED N#Cc1ccc(N2CCC[C@H]2CF)cc1C(F)(F)F 338808597 QFWHXKGBGJOOBS-NSHDSACASA-N 272.245 3.515 30 20 CHED N#Cc1cnc(NCCSc2ccccc2)c(Cl)c1 339234978 PMYLYGXUORIAMS-UHFFFAOYSA-N 289.791 3.811 30 20 CHED Cc1cc(Oc2ncc(C#N)cc2Cl)ccc1[N+](=O)[O-] 358887172 XASBHCVNIFXQMO-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C[C@H](NC[C@@H]1CCCC1(F)F)c1cccc(C#N)c1 390895783 DBQSKNWXRFYCAQ-FZMZJTMJSA-N 264.319 3.644 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 397583803 IHHZDUAZJRJVLW-GFCCVEGCSA-N 284.384 3.667 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)COc2ccccc21 7747122 RRGAEVVQUWDQIN-YRNVUSSQSA-N 272.250 3.624 30 20 CHED C[C@H]1CCC[C@@H](C)N1Cc1ccc(C#N)cc1Cl 59422216 HIFSEVNPLNWPDD-TXEJJXNPSA-N 262.784 3.975 30 20 CHED CCCCCCCNC(=O)/C=C\c1ccc(OC)cc1 101926901 XLMWJMBUELFYRW-RAXLEYEMSA-N 275.392 3.795 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCCC(C)(C)C 59322816 FSYRDZBQSQYVHS-UHFFFAOYSA-N 280.437 3.882 30 20 CHED C=CCCC(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C 110518628 FPVYAMAFUXIVBV-IUODEOHRSA-N 293.794 3.595 30 20 CHED C=CCCCCCN(C)Cc1cc(F)cc2c1OCOC2 172654472 PFWUMSWPUBVQLB-UHFFFAOYSA-N 293.382 3.870 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccncc1 52842061 OLOHRBKEUXFXOI-UHFFFAOYSA-N 299.333 3.873 30 20 CHED C=C(C)CCC(=O)N[C@H](c1ccccc1)C(F)(F)F 1347843851 CIOGUJWFOZFRKB-CYBMUJFWSA-N 271.282 3.763 30 20 CHED CCCCO[C@@H]1C[C@H](/N=C/c2ccccc2O)C1(C)C 176414093 UVDKDDDNQJTAQQ-KPIYYBAOSA-N 275.392 3.795 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H](C)CC1)c1ccccc1 179179723 HFKZFSFNNCBVBM-JKSUJKDBSA-N 271.404 3.995 30 20 CHED CC1(C)CCC[C@@H]1Nc1ncc(Br)cc1C#N 310372956 OLXJIDWYGCVKBF-NSHDSACASA-N 294.196 3.706 30 20 CHED C=CCOc1cccc(NC(=O)CC[C@@H]2CC[C@H](C)O2)c1 175668640 ZDXAXRBJJZWEKF-ZFWWWQNUSA-N 289.375 3.538 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(F)c2)cc1OC 28495465 JZKHTXMBVUUERJ-SOFGYWHQSA-N 286.302 3.739 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1 117439148 RBHZKIJAKJOSMR-CQSZACIVSA-N 285.391 3.797 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(c2ccc(F)cc2C#N)C1 302161362 YINWCAWIZWLMHC-YVEFUNNKSA-N 281.334 3.680 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)Oc1ccc(Cl)cc1 60624841 OYWNHCMOEZYMFB-UHFFFAOYSA-N 295.810 3.922 30 20 CHED C#CCCCNC(=O)Nc1ccc2nc(C3CC3)sc2c1 175751946 BRCOSFPWEMYLAM-UHFFFAOYSA-N 299.399 3.709 30 20 CHED N#Cc1ccccc1NC(=O)c1cc(F)cc2ccoc12 1349136001 XXPXVQSLWMATLC-UHFFFAOYSA-N 280.258 3.696 30 20 CHED Cc1ncc(-c2ccc(NCc3ccc(C#N)o3)cc2)o1 178817979 MCYULMXHSXPRNM-UHFFFAOYSA-N 279.299 3.727 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccccc1 1347521495 IZBJVVUIVQEOKH-RDJZCZTQSA-N 271.404 3.822 30 20 CHED N#Cc1ccc(CNc2ccc(OCC3CC3)cc2)cc1 171989555 FJRZOLWVDONUAW-UHFFFAOYSA-N 278.355 3.959 30 20 CHED COc1cccc2c1CC[C@H]2Nc1ccc(Cl)c(C#N)n1 301635470 KSNODKDYUCTYCR-CYBMUJFWSA-N 299.761 3.715 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1ccc(O)cc1)c1ccccc1 179079533 HROLZUAYEVZUCX-MRXNPFEDSA-N 295.382 3.711 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccc(F)cc1 20095929 SMXBTSFVPDVGTM-AWEZNQCLSA-N 283.346 3.689 30 20 CHED C=CCCCOc1cccc(C(=O)N(CC)CC)c1 174178108 XHQZRTKWZXJCQZ-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C#CCCCNC(=O)CCCc1csc2ccccc12 176342152 NVIQGYGQBOULTP-UHFFFAOYSA-N 285.412 3.754 30 20 CHED N#Cc1cc(F)ccc1NC[C@H](c1ccco1)N1CCCC1 301215763 ZXPSBROCVGUCLF-MRXNPFEDSA-N 299.349 3.539 30 20 CHED CCO[C@@H](CNc1ccc(C#N)cc1F)c1ccccc1 302824097 LNCFNRBKFRKJON-KRWDZBQOSA-N 284.334 3.887 30 20 CHED CCc1oc2ccccc2c1CN(C)c1ncccc1C#N 301064299 IPINSRVJQIDIPO-UHFFFAOYSA-N 291.354 3.898 30 20 CHED C=CC1CCN(C(=O)Nc2cc(-c3ccccc3)on2)CC1 127111673 FUGCANWZIRIXKV-UHFFFAOYSA-N 297.358 3.772 30 20 CHED CCCCCCCN[C@@H](C)c1nc(C(C)(C)C)no1 185141345 CVFYSOFUARDCGF-LBPRGKRZSA-N 267.417 3.988 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2ccccc2C1 188309615 QGTPPLZTYNFHQI-KRWDZBQOSA-N 257.377 3.564 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(F)cc1OCC 187834168 FUZWFESLTKNSHS-OAHLLOKOSA-N 265.328 3.765 30 20 CHED N#Cc1cccc(CNC2CC(c3cccc(F)c3)C2)c1 37748851 BKRURKUNFVGDGZ-UHFFFAOYSA-N 280.346 3.733 30 20 CHED C=C[C@@H](CC(=O)NCc1ccccc1)c1ccccc1 36460882 LXTDDSHWXPRURQ-INIZCTEOSA-N 265.356 3.663 30 20 CHED CC[C@H](C)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 188245224 MEMDEHNCKSNSJC-LBPRGKRZSA-N 258.365 3.862 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 127506095 XGQYOWJSCZYPRN-NEPJUHHUSA-N 298.390 3.651 30 20 CHED C=CCn1c(SCC2CC2)nnc1-c1ccccc1F 122832738 YDLBFENWPUKHJK-UHFFFAOYSA-N 289.379 3.772 30 20 CHED Cc1c(C#N)cccc1C(=O)NC(C)(C)c1ccccc1 509602881 UIJJTVPZWNGAAC-UHFFFAOYSA-N 278.355 3.532 30 20 CHED C=CCCCC(=O)NCCc1c(C)cc(C)cc1C 502454603 NXKJDLCUHOWVLM-UHFFFAOYSA-N 259.393 3.627 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc(C#N)ccc2Cl)C1 505402942 LKEUSPZGCPJXTJ-DGCLKSJQSA-N 290.794 3.862 30 20 CHED C[C@@H](CCC#N)N(C)Cc1cccc(C(F)(F)F)c1 411171565 IXSBPGQUYZYMEF-NSHDSACASA-N 270.298 3.829 30 20 CHED CC(C)[C@@H](NCCCCC#N)c1ccc(F)cc1F 181645849 TUCIVUQLPHVOGN-OAHLLOKOSA-N 266.335 3.945 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1cccc(-n2cccn2)c1 183571024 YKWUFIFIMFKDAA-HNNXBMFYSA-N 296.418 3.853 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(F)cc1Cl 120103805 XRVFQXZGTPCSKK-LLVKDONJSA-N 298.789 3.704 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cc1OCC 187840131 ZBAUPTQKUBYDGR-INIZCTEOSA-N 261.365 3.935 30 20 CHED CC(C)N(CCC#N)Cc1ccc(Cl)c(F)c1 218995763 LPMQPQGEJWLOSA-UHFFFAOYSA-N 254.736 3.603 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1 508476030 ALBUYYGUVSKGFU-UHFFFAOYSA-N 298.434 3.689 30 20 CHED N#CC1(CNC2CCC(OC3CCCC3)CC2)CCC1 418143575 QKGBPLMUEWKDDW-UHFFFAOYSA-N 276.424 3.540 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2c(s1)CCCC2 410136154 QIUKYHWXDIJSON-GFCCVEGCSA-N 263.406 3.711 30 20 CHED C[C@H]1CC(C(=O)Nc2sccc2C#N)C[C@H](C)C1 182378808 ZZIRBTXLSGUSGP-NXEZZACHSA-N 262.378 3.631 30 20 CHED CCCCCCCCN1CC[C@@H](N2CCCC2)C1 157798091 DJBAZYXEPOWXKT-MRXNPFEDSA-N 252.446 3.517 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(OCC(F)(F)F)nc2)C1 185751851 GEBHTFIOGWSIKV-GHMZBOCLSA-N 299.296 3.517 30 20 CHED C=CCCCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 502527216 HKQKTQAZRGWXQN-MRXNPFEDSA-N 279.811 3.597 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cnc(C2CC2)s1 130785281 QQRJBLCHWAGJNE-UHFFFAOYSA-N 283.400 3.524 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)C[C@H](c2ccccc2)[C@@H]1C 182802720 CTFQPRIEAQOOFZ-BQFCYCMXSA-N 283.415 3.973 30 20 CHED C=CCC[C@@H](C(=O)NC[C@@H](C)SC)c1ccccc1 188765798 MRXSZVHIZQEEEE-UKRRQHHQSA-N 277.433 3.604 30 20 CHED C=CCSCCN[C@@H](C)c1ccc2ccccc2n1 180455627 XMAVTYAEBJUCDD-ZDUSSCGKSA-N 272.417 3.805 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CCC[C@@H]21 413837553 QZNOQKUBJOYKQA-KSZLIROESA-N 298.430 3.758 30 20 CHED CC(C)CCCCC(=O)N(C)c1ccccc1C#N 410578014 QHKPZDZTFSWNPB-UHFFFAOYSA-N 258.365 3.737 30 20 CHED N#CCC1(CNc2ccc(Br)cc2F)CC1 83853561 OYGMHTKTNIJHOL-UHFFFAOYSA-N 283.144 3.694 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CCC(=C)CC1 508913630 PSLAQNYVWUNBAD-UHFFFAOYSA-N 294.402 3.596 30 20 CHED CCCCCCCCCNC(=O)c1ccc(N)cc1 197353628 UBVNRKZXTBIPPO-UHFFFAOYSA-N 262.397 3.749 30 20 CHED N#Cc1ccc(CNc2ccccc2OCC(F)F)s1 134457045 AQTIAPPRPCVUNL-UHFFFAOYSA-N 294.326 3.876 30 20 CHED C=C[C@@H]1CCCCN1Cc1cccnc1C(F)(F)F 528480940 MSGXQHZYAPBMSR-GFCCVEGCSA-N 270.298 3.641 30 20 CHED Cc1nc(CN[C@H](CCC#N)c2ccccc2)cs1 130570103 RYDRAYLADDSGKW-OAHLLOKOSA-N 271.389 3.586 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CN(CCC#N)Cc1cccnc1 191038927 DYDJHOWAHTUCMA-FUHWJXTLSA-N 283.419 3.790 30 20 CHED COc1cccc(OC)c1SCc1ccccc1C#N 191247817 LRERWUDDPCEDJB-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C[C@@H]1CCC[C@@H](/C(O)=N/CCc2cnc(C3CC3)nc2)C1 328772480 BEPQFNUHPSJFCX-IUODEOHRSA-N 287.407 3.679 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(F)cc1F 134862001 FXSQKGRCSLSKPH-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CO[C@H]1CCC[C@H](C(O)=Nc2cnc3c(c2)CCCC3)C1 329012281 DXXOMQZVGIHBAC-ZFWWWQNUSA-N 288.391 3.754 30 20 CHED C=CCCN[C@@H](C)c1ccc(OC)cc1Br 381375755 JTHMXNLRJISMBQ-JTQLQIEISA-N 284.197 3.684 30 20 CHED Cc1c(C(=O)N(C)[C@@H](C)CC#N)[nH]c2c(Cl)cccc12 334802665 GZBCFUHRWLMSSJ-VIFPVBQESA-N 289.766 3.504 30 20 CHED N#Cc1ccc(NC[C@H]2CCC[C@@H](N)C2)cc1C(F)(F)F 420285338 PNZXANHEPQHENX-CMPLNLGQSA-N 297.324 3.506 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 191995392 OAMYFODYKLZGPD-ZWKOTPCHSA-N 283.415 3.975 30 20 CHED CC(C)OCC(=O)Nc1cccc(C#Cc2cccs2)c1 143807706 VSMYUAITXMGRBL-UHFFFAOYSA-N 299.395 3.511 30 20 CHED C=CCCCCCOc1cccc(C(=O)N(C)C)c1 195390161 UMPMOOQAZQWACO-UHFFFAOYSA-N 261.365 3.514 30 20 CHED COc1cc(C)cc(/C(O)=N/C2CCC(F)(F)CC2)c1O 331244628 SXGYVRHRBYSPPV-UHFFFAOYSA-N 299.317 3.592 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCC1)c1ccc(F)c2ccccc12 336392660 QDBXMRKKAYFVGC-GFCCVEGCSA-N 296.345 3.850 30 20 CHED N#Cc1c(F)cccc1SCc1nccn1C(F)F 519802881 HTJCUCHUCGQSJR-UHFFFAOYSA-N 283.278 3.581 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 425271194 HPIKABXENZOLQP-WCBMZHEXSA-N 299.252 3.718 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](CCO)CC2)CCCCC1 422065184 KTPINVFVNOEPGI-MRXNPFEDSA-N 293.451 3.524 30 20 CHED COc1ccc(NCc2cc(C#N)cs2)cc1Cl 93492460 CUJIDQVJZFMAIP-UHFFFAOYSA-N 278.764 3.894 30 20 CHED CC1(C#N)CCN(C(=O)C2=C(c3ccccc3)CCC2)CC1 336266323 UFUIFGDGOHYGQB-UHFFFAOYSA-N 294.398 3.776 30 20 CHED Cc1ccc(C[C@@H](C)NCc2cc(C#N)cs2)c(C)c1 237512336 UCABUNLRYLRAKF-CQSZACIVSA-N 284.428 3.957 30 20 CHED N#CCCN(C/C=C/c1ccc(F)cc1)Cc1ccccn1 93100592 YMEDZARSKWZJAC-HWKANZROSA-N 295.361 3.650 30 20 CHED CC1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCCCC1 333527055 IGDZMUVUOCBWLE-QGZVFWFLSA-N 274.408 3.547 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccccc2OCC)no1 424340576 TUJZPRXZQVIXRH-UHFFFAOYSA-N 272.348 3.989 30 20 CHED C[C@@H](c1ccncc1)N(C)CC#Cc1cccc(Cl)c1 91989664 LZWBYDFTZHPZGC-AWEZNQCLSA-N 284.790 3.780 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCc1cc(C#N)ccc1F 90117854 RVPZPBCLTPMTCM-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED C=C(C)CN1CCC(N[C@@H]2C[C@@H](C)CC[C@H]2CC)CC1 430722987 RHYZWZKCYUCZGW-LZLYRXPVSA-N 278.484 3.831 30 20 CHED C[C@@H](CC(=O)NCc1cccc(C#N)c1)c1ccccc1F 338855980 WJMDJBRMJNXLGJ-ZDUSSCGKSA-N 296.345 3.507 30 20 CHED C[C@@H](C#N)C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 335671451 KTHCONYPUGRIKP-QMMMGPOBSA-N 291.763 3.562 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc2c1CCO2 434142873 ODLVUDHANSEFPF-UHFFFAOYSA-N 288.391 3.832 30 20 CHED CC(C)(C)c1cnc(N/C(O)=N/[C@@H]2CC=CCC2)s1 331256756 WSGKQXFIRGCYHW-SNVBAGLBSA-N 279.409 3.875 30 20 CHED Cc1csc(NC(=O)c2ccn(C)c2C2CCC2)c1C#N 334722043 QOZVMXDKZVLCHD-UHFFFAOYSA-N 299.399 3.787 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@H](C)C1CCCCC1 437911449 OIYGADDGMRLCFD-HDMKZQKVSA-N 295.467 3.936 30 20 CHED O=C1CCC(/C(O)=N/C[C@@H]2CCC3(CCCCC3)O2)CC1 330161495 RUKOWCRUEARJGI-HNNXBMFYSA-N 293.407 3.584 30 20 CHED N#CC1(N(C(=O)c2csc3ccccc23)C2CC2)CCC1 334630246 LPBIIZTWURAMQC-UHFFFAOYSA-N 296.395 3.952 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(F)c(Cl)c1 435740705 FWJZDFCCEVOICS-IUODEOHRSA-N 283.774 3.550 30 20 CHED C=CCOc1cccc(/C=C\c2ccc([N+](=O)[O-])cn2)c1 439511351 NRXCBHVWJFMGBN-SREVYHEPSA-N 282.299 3.725 30 20 CHED CCC(CC)[C@H](CNCc1ccc(C#N)cc1)N1CCCC1 236695290 ZYQXOLIQVHSYET-IBGZPJMESA-N 299.462 3.548 30 20 CHED CN(CCSCc1ccccc1)Cc1cccc(C#N)c1 430726144 TZFMTIFBBJDPFA-UHFFFAOYSA-N 296.439 3.923 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](Cc1cccc(C)c1)C1CC1 436310533 RNOLOZBQQGFQOB-AABGKKOBSA-N 299.458 3.887 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 435025784 FVVXRUNGGMSXRC-HOCLYGCPSA-N 296.414 3.532 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1[C@@H](C)[C@H]1C1CC1 528126818 XYYLYWGTZSGMNR-AFAVFJNCSA-N 287.378 3.632 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(NC[C@@H]2C[C@@H]2C)cc1 437264572 YYDTWSDOLWDEFZ-HOCLYGCPSA-N 284.403 3.569 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)C1CCCCC1 436314567 YOZSCTJATXTHIG-BMFZPTHFSA-N 251.414 3.526 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc2c(s1)CCCCC2 608821772 VTBGZEDZMPTMPO-CYBMUJFWSA-N 290.432 3.685 30 20 CHED CC(C)[C@@H](C)N(C(=O)CCc1ccc(C#N)cc1)C1CC1 603578874 WEJZKUFTMQHPPZ-CQSZACIVSA-N 284.403 3.526 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1(CC#N)CC1 430765762 VVBPJESEAHYIIF-GFCCVEGCSA-N 296.336 3.920 30 20 CHED COC(=O)c1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1C 600851504 HSBQEJFIHXVPRF-ZDUSSCGKSA-N 294.354 3.826 30 20 CHED Cc1c(CNC[C@@H](C)CCC#N)oc2ccc(F)cc12 602522323 USDDLVNXQMDOKE-NSHDSACASA-N 274.339 3.910 30 20 CHED Cc1ccc2c(CCNC[C@H](C)CCC#N)c[nH]c2c1 602526303 IUMRQJCBSCKBMI-CQSZACIVSA-N 269.392 3.548 30 20 CHED Cc1ccnc(N(C)[C@@H](C)c2c(F)cccc2F)c1C#N 343513067 QFEQFHQVOUYSTH-NSHDSACASA-N 287.313 3.737 30 20 CHED N#Cc1ccnc(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 342381000 PHXJCDMOBCYZEC-GXFFZTMASA-N 287.725 3.714 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cccc(C(F)(F)F)c1 538198592 KQHRCXBJSBMYHI-VXGBXAGGSA-N 287.325 3.541 30 20 CHED CC1(C)COc2cc(NCc3ccc(C#N)s3)ccc21 527747773 WXXUOBLZCXYYRE-UHFFFAOYSA-N 284.384 3.902 30 20 CHED N#CCCCN[C@H]1CCC[C@@H]1CCc1ccccc1 346831845 MAFKKSSPOSHKPI-SJORKVTESA-N 256.393 3.681 30 20 CHED C=C1CCN([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 341992199 CACRIPFQZCYYCW-MRXNPFEDSA-N 286.419 3.591 30 20 CHED C[C@H](NC(=O)C1(C#N)CC2(CC2)C1)c1cc2ccccc2o1 600958783 KVYXHLLSLLFUKL-LBPRGKRZSA-N 294.354 3.694 30 20 CHED N#Cc1c(F)cccc1NCC1(c2ccccn2)CCC1 343931350 BGUDZFSUVNTZSV-UHFFFAOYSA-N 281.334 3.626 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1CCSc2ccccc21 341654763 RFALCRLDBOXAMR-TZMCWYRMSA-N 275.417 3.737 30 20 CHED COc1ccc2cc(CN(C)CC3(C#N)CC3)ccc2c1 343249969 NGSKNJSDVYSVNY-UHFFFAOYSA-N 280.371 3.584 30 20 CHED C=CCN(Cc1cccc(OCCCC#N)c1)C1CC1 350269153 QXCSEVYAUYJVEX-UHFFFAOYSA-N 270.376 3.520 30 20 CHED C=CCN(CCc1ccc(C)cc1)CC(F)(F)F 605574622 VFHHANUVDGVPAZ-UHFFFAOYSA-N 257.299 3.588 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H]1c1cccc(F)c1 602440211 OWXBKBUJUZRFDF-XJKSGUPXSA-N 260.356 3.902 30 20 CHED COC[C@@H](CNC[C@@H](C)CCC#N)c1ccc(Cl)cc1 602676477 QNELQJSRVNJZIP-DZGCQCFKSA-N 294.826 3.599 30 20 CHED COc1ccc(C2CCN(C[C@@H](C)CCC#N)CC2)cc1 602466822 DLGNZVFLPNBGJS-HNNXBMFYSA-N 286.419 3.814 30 20 CHED CC(C)[C@H]1CN(C(=O)c2ccccc2CC#N)[C@H]1C(C)C 601618425 YPORFXWQGZIRMX-SJORKVTESA-N 284.403 3.505 30 20 CHED C#C[C@H](/N=C(\N)Nc1ccc([C@@H](C)CC)cc1)C(C)C 262244803 YLODJVCDYRIQHW-BBRMVZONSA-N 271.408 3.585 30 20 CHED C=CCC[C@@H](NCc1ccnc(OC)c1)c1ccccc1 358104803 YXZFCLJIIFYLJS-QGZVFWFLSA-N 282.387 3.887 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](C)OCC(C)C)c1ccccc1 532939894 OXGAUUVUWCCJIV-DOTOQJQBSA-N 289.419 3.871 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCCCC2=O 356059397 PPSVBGRIQQGJJP-INIZCTEOSA-N 297.398 3.776 30 20 CHED C=C(CC)CNc1cccc2c1CN(c1ccccn1)C2 358654504 KBNNUBDSJHPKMS-UHFFFAOYSA-N 279.387 3.980 30 20 CHED CC(C)CN(C(=O)C1CC(F)(F)C1)c1ccc(C#N)cc1 440577241 PFKAMWQLIFQUPQ-UHFFFAOYSA-N 292.329 3.593 30 20 CHED N#CCCN1CCCCC[C@@H]1/C=C\c1ccccc1 441175348 XGEOZOHQCIQJHU-WFTPILKQSA-N 254.377 3.858 30 20 CHED C=C(C)[C@H](CC(=O)NC1(c2ccccc2)CCC1)OCC 535891597 JZUOAZCDQUMMEH-INIZCTEOSA-N 287.403 3.553 30 20 CHED CC1CCC(N[C@@H]2CCc3ccc(C#N)cc32)CC1 353268255 QWZCQSFGUMSJDW-MWHAMWOXSA-N 254.377 3.714 30 20 CHED N#Cc1ccc(COc2cccnc2Cl)c(Cl)c1 163129438 ZROQDTADVZIXLM-UHFFFAOYSA-N 279.126 3.839 30 20 CHED Cc1cc(C(=O)N(C)CCC#N)c(C)n1C1CCCCC1 356453057 JVUXQNXPKVSEKF-UHFFFAOYSA-N 287.407 3.596 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)cc1Cl)c1ccncc1 610896545 LYCXLVSEQBKRPB-LLVKDONJSA-N 299.761 3.739 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1C 355365472 LSCPMLDPZXNPCD-UHFFFAOYSA-N 299.761 3.814 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CC1CCC(C)(C)CC1 611030110 FEHVZYIVIDXMJI-CQSZACIVSA-N 264.413 3.647 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1cccc(F)c1C#N 610280184 FOTHGGYYHZYVCD-IAGOWNOFSA-N 266.319 3.839 30 20 CHED Cc1nc(C(=O)Nc2ccc(C#N)cc2Cl)sc1C 618678674 PYQSYQJCMFCHLW-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CCc1nnc(N2CCCC3(CCCC3)C2)c(C#N)c1CC 445661076 AKYNJFWUUXGETQ-UHFFFAOYSA-N 298.434 3.634 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 535459739 MIDWAHWYZDRCPR-LBPRGKRZSA-N 299.418 3.927 30 20 CHED C[C@H](Cc1cccs1)NC(=O)Nc1cccc(CC#N)c1 455910290 CMPNVBWOQBUPEX-GFCCVEGCSA-N 299.399 3.567 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Cc1cncc2ccccc12 452785261 RSTCXBPMZDQWJE-CQSZACIVSA-N 296.414 3.742 30 20 CHED C=CCC1(NC(=O)Cc2ccccc2OC)CCCCC1 456389179 XJLIUPDMIAMRAR-UHFFFAOYSA-N 287.403 3.633 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(CC#N)cc1 535347541 QCZFFRYLMSHTLM-NVXWUHKLSA-N 284.403 3.841 30 20 CHED CCC[C@@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1 611249618 FVGWUWMSJLLAAD-JKSUJKDBSA-N 272.392 3.625 30 20 CHED N#Cc1cc(Cl)ccc1SCc1noc(C2CC2)n1 610655289 YHCXGQXNYBMEDK-UHFFFAOYSA-N 291.763 3.764 30 20 CHED C=C(CC)CN[C@H]1CCSc2ccc(OC)cc21 453346738 FZZHPZAUACSDBV-AWEZNQCLSA-N 263.406 3.788 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)Cc1ccc(C)cc1)OCC 534402939 MICBYGDSFJGJKK-QGZVFWFLSA-N 289.419 3.715 30 20 CHED C[C@@H](N[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 367800386 JBDWPZXPQPNRMP-AUUYWEPGSA-N 292.382 3.665 30 20 CHED C[C@H](N[C@H](C)C[C@H](O)c1ccccc1)c1cccc(C#N)c1 271919131 ZMZJPCZZNFKVGJ-VCBZYWHSSA-N 294.398 3.721 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)c1 456969187 QDTAZXNTIPCNIN-HUUCEWRRSA-N 296.395 3.979 30 20 CHED Cc1nc(N[C@H](C)c2ccncc2F)c(Cl)cc1C#N 360086089 YBIKGZKZNNRROP-SECBINFHSA-N 290.729 3.622 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)c1cccc(C2CC2)c1 452186294 FRQBZZAZGNQWPI-NSHDSACASA-N 293.370 3.563 30 20 CHED C=CCCCN(C)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 455036384 TVXJPVSCSLCDSC-WMZOPIPTSA-N 286.419 3.788 30 20 CHED Cc1cc(OCc2ccc(Cl)cc2C#N)cc(C)n1 548470279 JLGFJKDHVXTFSY-UHFFFAOYSA-N 272.735 3.803 30 20 CHED Cc1nc(NCC[C@@H]2CCO[C@H](C)C2)c(Cl)cc1C#N 360085838 ATONNIBRHOLBQZ-ZYHUDNBSSA-N 293.798 3.532 30 20 CHED COCC[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccco1 272588661 ZNRCCLFFRZLGKQ-CYBMUJFWSA-N 292.285 3.619 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 452777738 OTPWTIURGCCCEA-MNOVXSKESA-N 277.330 3.684 30 20 CHED C=C(C)CCNC(=O)c1ccc(O[C@@H](C)CC)cc1 452716080 GIWRVERCXVKPMJ-ZDUSSCGKSA-N 261.365 3.560 30 20 CHED C=C(CC)CNC(=O)N(CC)Cc1ccc(Cl)s1 455558701 NGJZKRYYZFEUND-UHFFFAOYSA-N 286.828 3.899 30 20 CHED C=CCSCCNC(=O)Nc1cccc(SC)c1C 271651324 BHJGOPNXBOXEGS-UHFFFAOYSA-N 296.461 3.758 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(NC(C)(C)C)cn2)no1 453138968 HTQQRPCKTBMREY-UHFFFAOYSA-N 286.379 3.806 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 450481391 VXQRFFHYKHWLSN-CYBMUJFWSA-N 296.414 3.662 30 20 CHED C=CCC1(NC(=O)[C@H](C)C(F)(F)F)CCCCC1 456366384 MOGNSCSFEHDRCG-JTQLQIEISA-N 263.303 3.580 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(C#N)ccc1Cl 457248506 HRQAFNPFFWZZRF-BDJLRTHQSA-N 290.794 3.910 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCC[C@H](CC)C1 540500332 FZTDUIIMONCGLX-HOTGVXAUSA-N 281.440 3.834 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(SCC)c1 276159703 RFNAVMVOJJZFAZ-UHFFFAOYSA-N 264.394 3.838 30 20 CHED C=CCN(C(=O)CC(C)(C)c1ccccc1)C1CC1 271547608 QIFGPNMRGKWRHU-UHFFFAOYSA-N 257.377 3.531 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 276146360 PCTDPEYJWNSKCO-INIZCTEOSA-N 272.392 3.745 30 20 CHED CCOc1ccc(C#N)cc1NC1CC(OC(C)(C)C)C1 543097104 NPLCCVUROQXEHO-UHFFFAOYSA-N 288.391 3.715 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1cccc(Nc2ccccc2)c1 469657331 ASRFURQEQHMHOQ-SFHVURJKSA-N 296.370 3.696 30 20 CHED CC#CCCOc1c(F)cc(F)cc1Br 462357444 HPNILTNCFQSNCA-UHFFFAOYSA-N 275.092 3.520 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 468013496 HIFJZBXKRQBIJQ-RHSMWYFYSA-N 275.367 3.744 30 20 CHED C=CCN(C(=O)c1coc(-c2ccccc2)n1)C(C)(C)C 622944086 DEBSRDJPCQCFCX-UHFFFAOYSA-N 284.359 3.768 30 20 CHED C=CCC1(NC(=O)c2c(C)noc2C(F)F)CCCC1 622959090 JQOWYRZYSUIWMZ-UHFFFAOYSA-N 284.306 3.539 30 20 CHED Cc1nsc(N2CCc3ccc(Cl)cc32)c1C#N 554676282 ZQJVIWJUPGOSMR-UHFFFAOYSA-N 275.764 3.671 30 20 CHED Cc1cc([C@H](C)Nc2cccc(OCCCC#N)c2)nn1C 282490034 HQVAYOFLAONDQK-AWEZNQCLSA-N 298.390 3.584 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H](OCC)C12CCCC2 467335501 KZUGBEORXDQOLU-HOTGVXAUSA-N 291.435 3.609 30 20 CHED CC#CCCN1C[C@@H](c2ccccc2Cl)OC[C@H]1C 462323278 HLGSDTOWDFOKPW-CJNGLKHVSA-N 277.795 3.515 30 20 CHED CCCC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CC1 554114520 JYJLESXAVWVSDX-GFCCVEGCSA-N 260.356 3.928 30 20 CHED C=C1CCN(C(=O)c2ccc(-c3csc(C)n3)cc2)CC1 282482585 SYULNBHNWPXWQU-UHFFFAOYSA-N 298.411 3.911 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@H](C)C[C@@H](C)C1 460550381 KLLJNUKGOXOSSE-LSDHHAIUSA-N 290.455 3.850 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2ccc(Cl)c(C#N)c2)C1 469282238 WRGNSJHBTHWXLT-QWRGUYRKSA-N 276.767 3.976 30 20 CHED CC[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCCO1 384805228 YOZFETHXWYHNHB-CYBMUJFWSA-N 298.308 3.582 30 20 CHED CCOC1CC(CNc2cc(C#N)ccc2OC(C)C)C1 285113745 JLSDPALFDJIAJM-UHFFFAOYSA-N 288.391 3.572 30 20 CHED CCCCC[C@H]1CCCN1c1cc(C)nc(C#N)c1 553483057 OFRXMVUJJXGRER-HNNXBMFYSA-N 257.381 3.811 30 20 CHED C=CC[C@H](C)NC1CCC(N(C)Cc2ccccc2)CC1 552275452 WGQXBEAJJFLGKX-IVMQYODDSA-N 286.463 3.984 30 20 CHED Cc1nn(C)c2sc(C(=O)/C=C/c3cccc(O)c3)cc12 806578978 QWVJJUSGZMZXRM-VOTSOKGWSA-N 298.367 3.545 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1OCC(F)F 473709958 HFPFEJQLGFLAEC-UHFFFAOYSA-N 298.333 3.808 30 20 CHED C#CCCCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297635759 CIOQLOVEAWOMDU-UHFFFAOYSA-N 274.389 3.659 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(C)c(C(F)(F)F)c1 806178694 WSNNYSVFNJFSLG-JTQLQIEISA-N 284.281 3.547 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 477186530 FCHGFVIZMDDDRM-LSDHHAIUSA-N 286.419 3.761 30 20 CHED C=CCN(CCC#N)C(=O)C(C)(C)CCCCC 293700796 ILFYYEAXXPWRSU-UHFFFAOYSA-N 250.386 3.521 30 20 CHED C#CCCCCCC(=O)Nc1ncsc1C(C)C 809392309 OHVCQCIBMKQTAW-UHFFFAOYSA-N 264.394 3.789 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccccc2OC)no1 290152523 JCCHWBGSTZWDLJ-MRXNPFEDSA-N 272.348 3.523 30 20 CHED CCC[C@H](C(=O)Nc1ccccc1CC#N)c1ccccn1 565202200 VWTHGXJYJITGCF-HNNXBMFYSA-N 293.370 3.670 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(C)(CC(C)C)CC1 566759823 ZRQGSASXJYNDHC-AWEZNQCLSA-N 266.429 3.809 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)NC1(C#N)CCCCC1 475470835 LWHIQANSVHMPBG-UONOGXRCSA-N 262.397 3.545 30 20 CHED N#Cc1c(N[C@H]2CCC[C@H]2F)cccc1C(F)F 566483476 UNQQDRBRCUMQHB-PWSUYJOCSA-N 254.255 3.798 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1ccccc1F)C2=O 809157535 UBOCKTRMWVYMIJ-DHZHZOJOSA-N 286.277 3.796 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1oc(CCC)nc1C 293630288 KEQRTDWTLHAZCJ-RYUDHWBXSA-N 250.386 3.626 30 20 CHED CCCCN(CCO[C@@H](C)C#N)[C@H](C)c1ccccc1 801913849 OJKGNNVJWIACRC-JKSUJKDBSA-N 274.408 3.778 30 20 CHED C=C(C)CCOC(=O)c1ccc(-c2ccco2)nc1C 803333549 ONJHEAMMIWQOJV-UHFFFAOYSA-N 271.316 3.773 30 20 CHED C#CCC(C)(C)c1nc(Cc2c(C)[nH]c3ccccc23)no1 809377033 FAVDPEIWEFAZMP-UHFFFAOYSA-N 293.370 3.751 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C#N)s1 487651803 HLBKFFXYCFVYQC-UHFFFAOYSA-N 288.416 3.828 30 20 CHED CC(C)[C@@H](CNC(=O)c1ccc(C#N)s1)c1ccccc1 486814465 HSJBZWWQFBISAN-OAHLLOKOSA-N 298.411 3.789 30 20 CHED C[C@H](COc1ccccc1)NN=C/C=C/c1ccccc1 811668751 SRMXNHVRVNERFM-PFNCPMJGSA-N 280.371 3.743 30 20 CHED C#CCCCCC(=O)OCc1ccc(C(C)C)nc1C 815230199 LTZLVWSFLDUZGG-UHFFFAOYSA-N 273.376 3.750 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(Cl)c(N)c1 814693295 HVOBTPMXRMBDEN-UHFFFAOYSA-N 277.730 3.897 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 819736168 CZSCEWHNWLUMFI-XPPKJQKXSA-N 282.387 3.824 30 20 CHED C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCCCC1 576485639 HMDUNVQTAQWSJR-JEBQAFNWSA-N 296.414 3.747 30 20 CHED CC[C@@H](CC#N)NCc1csc(-c2ccccc2F)n1 577409454 XZCRFVMESGTOBB-NSHDSACASA-N 289.379 3.731 30 20 CHED C#C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 811947134 UEMBNLXQNFSHOX-HNNXBMFYSA-N 287.721 3.583 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C)ccc2C)cc1O 811697434 DEAMUULSFYSYRY-VURMDHGXSA-N 282.339 3.914 30 20 CHED CC1(C)OCCC1=NNc1ccccc1OC(F)(F)F 814907173 XGMPQRQZZZJKDF-UHFFFAOYSA-N 288.269 3.552 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccc(C(C)C)cn1 810639670 XPTSLPQPQGDHLQ-UHFFFAOYSA-N 294.354 3.742 30 20 CHED CC(CC1(C(=O)O)CCC1)=NN[C@H]1CCCCC1(C)C 814917744 QBZSGPQGAKYJEX-ZDUSSCGKSA-N 280.412 3.566 30 20 CHED C=C(Cl)CN[C@H](c1ccc(OC)cc1F)C1CC1 817581923 USLSFSNEYPRXEU-AWEZNQCLSA-N 269.747 3.628 30 20 CHED CCc1ccccc1NN=Cc1ccc2oncc2c1 814801199 ALIZAJOKYOOMAH-UHFFFAOYSA-N 265.316 3.836 30 20 CHED C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(C)cc2ccccc12 573680060 ASSGERGGLMCIIQ-WBVHZDCISA-N 296.370 3.613 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1c1ccc(C#N)c(C)n1 488121647 XTWMEIFNPSJMAG-IUODEOHRSA-N 257.381 3.667 30 20 CHED C=CCNC(=O)c1cc(Cl)ccc1OC1CCCC1 486835304 QXZBBKUEQIPOHJ-UHFFFAOYSA-N 279.767 3.577 30 20 CHED Brc1cccc2[nH]cc(C=NOC3CCC3)c12 812235661 MGLVJGWRJHSLHX-UHFFFAOYSA-N 293.164 3.833 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(F)c(F)c2)no1 570103022 APMRVERVMQMXHQ-UHFFFAOYSA-N 272.201 3.683 30 20 CHED C#Cc1cccc(N(C)C(=S)Nc2ccc(C)cc2)c1 728448456 UPNUBYLXCINFPI-UHFFFAOYSA-N 280.396 3.810 30 20 CHED Cc1cccc2c1C/C(=C/c1cccc(O)c1)C2=O 729150245 JHYMQJGDAPMAFQ-JYRVWZFOSA-N 250.297 3.523 30 20 CHED C#Cc1ccc(C(=O)O[C@H](C)c2ccccc2Cl)nc1 729012670 SSDOYCOGOJMNLT-LLVKDONJSA-N 285.730 3.634 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](CC)c1ccc(Cl)s1 491804384 LPZZPQJVSBVMES-UWVGGRQHSA-N 284.812 3.516 30 20 CHED C#Cc1cccc(CN[C@@H]2CSCCc3ccccc32)c1 825226768 LQRDETPMHJQCAS-LJQANCHMSA-N 293.435 3.788 30 20 CHED C=CCN(C(=O)N[C@H](C)[C@H](C)C1CCCCC1)C1CC1 577899346 QZZMXLCTOVRBEX-UONOGXRCSA-N 278.440 3.951 30 20 CHED Cc1ccc(C2CC(=NNc3cc(C)nc(C)n3)C2)cc1 729816870 TYNVDVQTCWLKDF-UHFFFAOYSA-N 280.375 3.747 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(c2ccccc2C)CC1 573996626 AWZSMTIESVUCFE-HNNXBMFYSA-N 286.419 3.849 30 20 CHED COc1cc(C#N)ccc1NC(=O)CC1(C)CCCCC1 575398819 XAMZSOTVFFLBMW-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C#CC1CCN(C(=O)c2ccc(Cl)c3occc23)CC1 823579328 BDFWARSNWXTOGQ-UHFFFAOYSA-N 287.746 3.572 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc(-c2ccccc2)[nH]1 497940532 ZATXJNNATQGSAK-ZDUSSCGKSA-N 283.375 3.551 30 20 CHED C=CCN(CCOc1ccccc1F)CCc1ccco1 491393253 CMRRPQFMXUYPDL-UHFFFAOYSA-N 289.350 3.528 30 20 CHED Cc1cc(CN(C)CC(C)(C)CCC#N)ccc1F 578959679 MIDSPKQUNPUWSW-UHFFFAOYSA-N 262.372 3.896 30 20 CHED C=C(C)CN(C)[C@H](CO)c1cccc(Cl)c1Cl 661639128 OFOKSDDBMDYWPW-GFCCVEGCSA-N 274.191 3.535 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)O)c(Cl)c1 907553639 GVGYUEVLWUIGMP-VIFPVBQESA-N 281.739 3.579 30 20 CHED O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccc(O)cc1 731835945 WUYYVPOODQSCAA-FLIBITNWSA-N 291.306 3.943 30 20 CHED CC(C)c1ccc(C=NOCc2ccns2)cc1 902689282 CMBXJEGVBYMOTI-UHFFFAOYSA-N 260.362 3.817 30 20 CHED C#CCN(CC)C(=O)c1ccc(-c2ccccc2Cl)o1 490575678 UAASFGGNNQWZQO-UHFFFAOYSA-N 287.746 3.695 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1C 734305346 RGOPKXKWKPZNRG-DHZHZOJOSA-N 280.323 3.898 30 20 CHED Cc1ccc2[nH]c(C(=O)OCc3ccc(C#N)cc3)cc2c1 907191028 DTJSFQWTQVCGAN-UHFFFAOYSA-N 290.322 3.705 30 20 CHED CC[C@@](C)(C=NNc1c(F)cccc1Cl)OC 834968367 AYRXERMJAXUGFC-LBPRGKRZSA-N 258.724 3.692 30 20 CHED C=CCN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)(C)C 661758018 OLRLATPRCJPYAQ-HNNXBMFYSA-N 294.483 3.558 30 20 CHED C=CCN(C(=O)NCC(C)(C)C1=CCCC1)C(C)C 838729786 BLPAORWIJBUSBL-UHFFFAOYSA-N 264.413 3.729 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2cccc(F)c2F)s1 730730336 XKSCMABAZUJQNY-SNAWJCMRSA-N 294.278 3.621 30 20 CHED N#CC1(CCCCOC(=O)/C=C/c2ccc(O)cc2)CCC1 908792065 XXDARASSZKXLIE-RMKNXTFCSA-N 299.370 3.813 30 20 CHED CC[C@H](CC#N)NCc1ccc(SC(C)C)cc1 581496905 FFDQMKVTMXMARF-CQSZACIVSA-N 262.422 3.969 30 20 CHED CO[C@H](C#N)c1ccc(-c2ccc(C(C)(C)O)cc2)cc1 904771129 JLRVPWBRHCGQOS-QGZVFWFLSA-N 281.355 3.792 30 20 CHED Cc1ccc(SCC(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839044662 TTXPIHFVOPLWFI-KGLIPLIRSA-N 289.400 3.713 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cc(C)ccc1OC)C(C)C 838748895 ZZEBUMMAHQMYDD-AWEZNQCLSA-N 290.407 3.671 30 20 CHED COC[C@@H](C)NN=C1CC=C(c2ccc(Cl)cc2)CC1 834969703 DPPMXLNIZWSYKI-GFCCVEGCSA-N 292.810 3.888 30 20 CHED C#CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2C)no1 834843807 MDCZYQFKLJWUPW-UHFFFAOYSA-N 299.330 3.689 30 20 CHED CCc1ccc(N(CC2CC2)C(=O)c2ccc(C#N)[nH]2)cc1 836837032 VXPAOSRWRPMKLS-UHFFFAOYSA-N 293.370 3.506 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1c(Cl)cc(F)cc1Cl 594088178 PSPRPBQRSFJJLA-QMMMGPOBSA-N 289.137 3.507 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 673237607 IXFWCAWVEGCSRK-NEPJUHHUSA-N 286.350 3.914 30 20 CHED Cc1ccc([C@H](C)NC(=O)N2CCC(CCC#N)CC2)cc1 591904529 MBZIPCCCZBYMAB-HNNXBMFYSA-N 299.418 3.781 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)/C=C(\C)c1cccc(Cl)c1 749914531 ZWNGPOBAHKJQSJ-OXBCTQFSSA-N 290.794 3.751 30 20 CHED C[C@H]1OCCC1=NNc1c(Cl)cccc1Cl 747766639 VXNHVGYZBFBZHW-SSDOTTSWSA-N 259.136 3.570 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C 590175182 SGQKGQOPCIQQLM-JKSUJKDBSA-N 278.440 3.975 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](C)c1ccc(SCC)cc1 845636524 PKWGGSWGXJYDIW-NEPJUHHUSA-N 294.420 3.665 30 20 CHED Cc1cc(C)cc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 593938965 SAWVIPZZCNBMPQ-OAHLLOKOSA-N 292.382 3.992 30 20 CHED COc1ccc(C=NNc2ccc(Cl)c(F)c2)cc1O 747636364 ZNQKNEQSRMSNMQ-UHFFFAOYSA-N 294.713 3.639 30 20 CHED N#Cc1ccc(N(C(=O)CCC(F)(F)F)C2CCC2)cc1 598886735 JJZUOUSZUXORGK-UHFFFAOYSA-N 296.292 3.786 30 20 CHED N#CCCCCOC(=O)c1ccc(SC(F)F)cc1 914620603 KRHDDLVWEVCRAG-UHFFFAOYSA-N 285.315 3.852 30 20 CHED CO[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)C1CC1 840707974 YXVKFYDALHBONO-VOMFFSSUSA-N 288.174 3.543 30 20 CHED CCS[C@H]1CCC[C@H]1NC(=O)CC1(C#N)CCCCC1 597342854 HNSVLZXAPJMUMW-KGLIPLIRSA-N 294.464 3.641 30 20 CHED CCC(CC)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842939405 PRPFMMKSMLEMMF-LLVKDONJSA-N 262.378 3.633 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 599738455 CBHGHHLJVOOLBJ-JTQLQIEISA-N 292.345 3.800 30 20 CHED CCCCCCCN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 915665108 HOSKEOZLILDMCG-CQSZACIVSA-N 288.391 3.814 30 20 CHED COc1ccc(O)c(C(C)=NNc2cccc(C)c2)c1 916255219 KJCPXKOYBZGPGE-UHFFFAOYSA-N 270.332 3.545 30 20 CHED N#C[C@@H](SC1CCC2(CC1)OCCO2)C1CCCCC1 849940371 MYSSPEYLQDKGRU-OAHLLOKOSA-N 295.448 3.878 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCC(C)=C(C)C1 843578204 BRZXOPHACABIRX-ZDUSSCGKSA-N 287.325 3.537 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)c1cccs1 916240908 VCADKBWYYZJGIN-UHFFFAOYSA-N 274.345 3.673 30 20 CHED CC#CCOC(=O)CCCOc1cccc2ccccc12 744757517 PQTOMDXHKJRGQN-UHFFFAOYSA-N 282.339 3.565 30 20 CHED CCCCNN=C(C)c1ccc2cc(O)ccc2c1 748786893 VXVAEILPEFBSJC-UHFFFAOYSA-N 256.349 3.659 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CC[C@@H]2CCC[C@@H]2C1 742378984 QGPCCGHRBKYIQC-LZLYRXPVSA-N 283.415 3.757 30 20 CHED Cc1ccsc1-c1nnc(SCC2(CC#N)CC2)o1 594886973 GBVKLDBGERKPOH-UHFFFAOYSA-N 291.401 3.893 30 20 CHED C=CCCC(=NNc1cccc(C(=O)O)c1C)C1CC1 844625085 VMMRFIJAEXWQNJ-UHFFFAOYSA-N 272.348 3.837 30 20 CHED CC1=C(C)C[C@H](C(=O)O[C@H]2CCC[C@H](C#N)C2)CC1 842817613 BMJNIDHIRJWGLD-ZNMIVQPWSA-N 261.365 3.748 30 20 CHED Cc1cccc2oc(CC/N=C\c3ccccc3O)nc12 743045427 JSGYCLFDKANJEZ-WQRHYEAKSA-N 280.327 3.503 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2cccc(OCC#N)c2)CC1 843530797 MGFBIWRAMFQXND-CQSZACIVSA-N 284.359 3.664 30 20 CHED N#Cc1ccccc1CSCc1cc(C2CC2)no1 596323762 JPRJZURACDMDAJ-UHFFFAOYSA-N 270.357 3.857 30 20 CHED CC#CCOc1ccc2ccc(C(F)(F)F)nc2c1 680953147 DXQFMIGKGIAMSD-UHFFFAOYSA-N 265.234 3.656 30 20 CHED COc1cccc(O)c1/C=N/CCc1cc(C)cc(C)c1 740763907 SWIAPZMVAPXBJK-XDHOZWIPSA-N 283.371 3.679 30 20 CHED C=C(Cl)CNc1cc(NC(=O)CC)ccc1C 849314086 YJMDLYXNBXDNLN-UHFFFAOYSA-N 252.745 3.508 30 20 CHED CC(C)(CCC#N)COC(=O)[C@@]1(C)CCc2ccccc21 842785066 LJAKXXDOAJXRDW-SFHVURJKSA-N 285.387 3.764 30 20 CHED C#Cc1ccc(CNCc2ccc(NCCC)cc2)cc1 846055555 CPARTMRUOZYNHZ-UHFFFAOYSA-N 278.399 3.780 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)NCC1(C#N)CCC1 841467455 SRWPVXKGPWXGCX-WQLSENKSSA-N 288.778 3.553 30 20 CHED CCCCCCCC(=O)N(CCN(C)C)c1ccccc1 746528129 FLSGQOLJNFOZAV-UHFFFAOYSA-N 290.451 3.942 30 20 CHED N#CC1(CC(=O)N[C@H](c2ccccn2)C2CC2)CCCCC1 928614922 QMEONQPVYBWDGB-KRWDZBQOSA-N 297.402 3.513 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 848454425 NCTNAEVUYCFGIM-MELADBBJSA-N 297.439 3.599 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H]1C[C@H](C)C(=O)C(C)(C)C1 847943521 VGRULVVPQZCESD-RYUDHWBXSA-N 266.381 3.526 30 20 CHED Cc1ccc(C#N)cc1-c1nc([C@H]2CCC(F)(F)C2)no1 924057581 MVVGSPWTQYJUDW-NSHDSACASA-N 289.285 3.820 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cc2ccccc2o1 924744387 AIBFYKKJVJTLAF-GFCCVEGCSA-N 256.349 3.851 30 20 CHED CC#CCCCC(=O)N(CCC)Cc1ccc(OC)cc1 680996704 LTAAFKFGIZCNDI-UHFFFAOYSA-N 287.403 3.627 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)c1ccc(CC)cc1)OCC 755480519 GOJSVQBLBQNCHO-KRWDZBQOSA-N 289.419 3.973 30 20 CHED Cc1cnc(F)cc1-c1ccccc1C1(C#N)CC1 854189991 ZYMKXUMDNBTNSH-UHFFFAOYSA-N 252.292 3.751 30 20 CHED CCCCCC(C)=NNc1ccc(C(F)(F)F)nn1 754711065 RTJCNCCBEDZINU-UHFFFAOYSA-N 274.290 3.864 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccccc2C2CC2)o1 751134334 XJHPIFFOZMSTIY-UHFFFAOYSA-N 294.358 3.993 30 20 CHED C/C(=C\C(=O)N[C@@](C)(C#N)C(C)(C)C)c1cccs1 857602460 IGIMPMJECRJPOK-GDXASINISA-N 276.405 3.596 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1 928219571 AFRIGSQCJBLGGG-KGLIPLIRSA-N 270.376 3.576 30 20 CHED C#CCCCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 859414342 FYYRTJPEJPPKRM-CQSZACIVSA-N 263.331 3.558 30 20 CHED C=CCCCC(=O)Nc1cccc(F)c1SC 855249469 JXLBWKBUDWYUOY-UHFFFAOYSA-N 253.342 3.842 30 20 CHED C#CCOc1cccc(NC(=O)c2cc(Cl)ccc2C)c1 753080038 QPXZTPUOCRXMRP-UHFFFAOYSA-N 299.757 3.913 30 20 CHED COc1cccc(C=NNc2ccc(F)cc2C)c1OC 750946371 PXATXVGCXRSLLM-UHFFFAOYSA-N 288.322 3.597 30 20 CHED C=CCCCCCCCNC(=O)NCc1cccc(N)c1 851662680 ZJKQGBNCWZUFBS-UHFFFAOYSA-N 289.423 3.595 30 20 CHED C=CC(C)(C)CCOC(=O)CCc1scnc1C 851301584 YQRCRTBOYFVVSM-UHFFFAOYSA-N 267.394 3.530 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc(C)o2)C1 855438173 BZKLKVJMRVXVBZ-UONOGXRCSA-N 261.365 3.506 30 20 CHED CCc1ccc(C=NOCc2oc(CC)nc2C)cc1 853642047 DLAQDCYIPUNWEF-UHFFFAOYSA-N 272.348 3.659 30 20 CHED Cc1cc(Cl)cc(C)c1C=NO[C@H]1CCCCO1 756895283 KSNUTMFZBNFZER-AWEZNQCLSA-N 267.756 3.834 30 20 CHED CC1(C)CCCC1=NNc1cncc(Br)c1 758129788 KHGCHFHLKUXLAO-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CCCCCCCCNC(=O)NC[C@H](C)c1nccs1 754241483 DQQWZEZIAIFUIF-ZDUSSCGKSA-N 297.468 3.906 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@@H](OC)C1 756093306 FQNXOJSIMJFHSX-OAHLLOKOSA-N 284.444 3.557 30 20 CHED C=C[C@H](CC)CC(=O)NCCC1CC(OC(C)(C)C)C1 935651195 PUWLFIMGMDZHCL-WLYUNCDWSA-N 281.440 3.689 30 20 CHED Cc1cc(N2CCC[C@](C)(C#N)C2)nc2ccccc12 1342212819 ONUBFRISUXOWOI-QGZVFWFLSA-N 265.360 3.673 30 20 CHED COc1ccsc1C=NNCc1cccc(Cl)c1 764696352 JQTDDGSGKQGLOY-UHFFFAOYSA-N 280.780 3.534 30 20 CHED C=CC[C@@H](NC(=O)N[C@@H](C)CCC1CC1)c1ccncc1 769510865 STISPZDOXZZFOQ-XJKSGUPXSA-N 287.407 3.577 30 20 CHED C[C@H](OC(=O)C[C@H]1CCC[C@@H]1C)c1cccc(C#N)c1 769293586 OQXOSLUMUAWTEU-KCQAQPDRSA-N 271.360 3.989 30 20 CHED C#CCCCN1CC[C@H](CSc2ccccc2)C1 766901926 AKCHQDGQPCKAHD-HNNXBMFYSA-N 259.418 3.514 30 20 CHED C/C=C(/C=C/C(=O)N[C@](C)(C#N)C1CCCCC1)CC 765554370 RTIUHKYFYVEKHD-GNGSZWFASA-N 274.408 3.878 30 20 CHED CC(CCCC(C)C)=NN=c1cc[nH]cc1Cl 764696992 SPTFCBORVDWEAL-UHFFFAOYSA-N 253.777 3.771 30 20 CHED CCC[C@@H](C(=O)OCc1ccc(F)cc1C#N)C(C)C 763846868 DSZMOLRCDUFYSL-OAHLLOKOSA-N 277.339 3.813 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(-c2nccn2C)c1 930254168 MIHGWWPYNKYSNI-ZDUSSCGKSA-N 283.375 3.628 30 20 CHED C=CCn1c(SCCC(F)(F)Cl)nnc1C1CC1 863239683 KIYMFPPCAFOMJU-UHFFFAOYSA-N 293.770 3.655 30 20 CHED Fc1ccc(NN=Cc2ccn(-c3ccccc3)n2)c(F)c1 766678859 QLTXANQUGUJDRF-UHFFFAOYSA-N 298.296 3.597 30 20 CHED CCC[C@H](C)c1noc(-c2ccc(C=NOC)cc2)n1 761855831 SYMUDQXYTYEDBT-NSHDSACASA-N 273.336 3.621 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc(C)c(F)c1)OCC 766300074 VYGNGZCIAZBQDF-HNNXBMFYSA-N 280.339 3.549 30 20 CHED N#Cc1cccc(NN=Cc2ccc(F)c(C#N)c2Cl)c1 761786079 NDSBHSIIXCECBH-UHFFFAOYSA-N 298.708 3.668 30 20 CHED CCCCCCCCCC(=O)NCc1nccnc1Cl 868240512 VZAOCFOJHFAXQF-UHFFFAOYSA-N 297.830 3.887 30 20 CHED C#CCCCSc1nc2ccc([N+](=O)[O-])cc2s1 766284182 HKXOURDUJCKVEJ-UHFFFAOYSA-N 278.358 3.710 30 20 CHED O=C(CC#Cc1ccccc1)OCc1sccc1Cl 1117851286 BNYGZBHFIPDUDM-UHFFFAOYSA-N 290.771 3.887 30 20 CHED Fc1ccc(NN=Cc2cc(F)c(F)cc2F)cc1 767742902 JYOFMUBMABUQHG-UHFFFAOYSA-N 268.213 3.689 30 20 CHED Cc1cc(OCC(=O)OCCCCC#N)cc(C)c1Cl 767525660 MSYHKHZJRZOXLW-UHFFFAOYSA-N 295.766 3.573 30 20 CHED Cn1cc(C=NOCc2ccccc2)c(-c2cccs2)n1 769569283 GUCKZYNHTCLNHN-UHFFFAOYSA-N 297.383 3.699 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)c2cc(C)oc2C)c1 1115949134 APYQPFJRMQFSQE-LBPRGKRZSA-N 298.411 3.925 30 20 CHED C#CCCN[C@H](COc1ccccc1F)c1ccccc1 775181561 SIFQHDJDOMBEPV-QGZVFWFLSA-N 283.346 3.559 30 20 CHED C(=NOC1CCCCC1)c1ccc(N2CCCCC2)o1 777456686 FKRWBNFOJRCJJB-UHFFFAOYSA-N 276.380 3.953 30 20 CHED COc1ccc2oc(C=NNCc3ccc(F)cc3)cc2c1 1116413487 CJQDCNBHVBGECC-UHFFFAOYSA-N 298.317 3.704 30 20 CHED CCC(CC)CN(CC)C(=O)Cc1ccccc1CC#N 776818057 MFIIBAVKGAKKCZ-UHFFFAOYSA-N 286.419 3.580 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1c(C)cccc1OC(F)F 878591151 KFJLDAUCTZFFPQ-OAHLLOKOSA-N 296.317 3.520 30 20 CHED C=CCC1(C(=O)Nc2cc(CC(C)C)nn2C)CCCC1 1117871105 UZIGPEBGXODIOS-UHFFFAOYSA-N 289.423 3.694 30 20 CHED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1csc2ccccc12 776967195 WDESTXISROWCLP-SNVBAGLBSA-N 295.367 3.592 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccnc(Cl)c1 777251067 VEKITSLYUUTVLX-LBPRGKRZSA-N 297.789 3.947 30 20 CHED N#Cc1cccc(SCc2ncc(Cl)nc2Cl)c1 779371802 UKMVHZCZBGXBQZ-UHFFFAOYSA-N 296.182 3.947 30 20 CHED C=CCN(C(=S)Nc1cccc(Cl)c1)C1CC1 771545533 WKVIFDXDYAXKAQ-UHFFFAOYSA-N 266.797 3.687 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@@](C)(C#N)CCc1ccccc1 779987340 UZXMIJRTLFTDIM-KGUUONHRSA-N 284.403 3.764 30 20 CHED CC(CCCC(F)(F)F)=NNc1ccccc1C(=O)O 774347987 HYWLHMKWNCEFNN-UHFFFAOYSA-N 288.269 3.905 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(O)cs2)CCCC1(C)C 774534619 IMCDKSAKPQHDKW-CYBMUJFWSA-N 279.405 3.661 30 20 CHED CCCCOc1ccc(C(=O)OCCCC#N)c(Cl)c1 770432151 KFDYVWKQCZGNOD-UHFFFAOYSA-N 295.766 3.979 30 20 CHED C=CCCCCCN(C)Cc1cc(OC)ccc1O 775702670 VAJMLIQJGNBTNF-UHFFFAOYSA-N 263.381 3.579 30 20 CHED CCS[C@H]1CC[C@H](N(C)c2cccc(F)c2C#N)C1 301483189 XQXFQSHFYCLERS-RYUDHWBXSA-N 278.396 3.808 30 20 CHED CCCCCC[C@H]1CCCC1=NN[C@H]1CCCOC1 780262718 PTOZNBAWDNFVHP-GJZGRUSLSA-N 266.429 3.882 30 20 CHED C=C(C)CCC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 1120621027 MINAJNKXHWBBCO-LLVKDONJSA-N 279.330 3.767 30 20 CHED C/C=C(/CC)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 789662773 WEKKJDZTJWJIGC-CQDYJGNSSA-N 296.292 3.743 30 20 CHED C[C@@H]1CCC(=NN[C@H]2CCOC(C)(C)C2)c2ccccc21 780248621 CETYMUFRVWJRNO-KGLIPLIRSA-N 286.419 3.835 30 20 CHED CC#CC(=O)N[C@H](CC1CCCCC1)c1ccccc1 788297600 ZEOYJNZOFLEFOQ-QGZVFWFLSA-N 269.388 3.838 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1sccc1C#N 163481512 BWPDPDLDCLNDSH-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc2occc2s1 783728040 BOMZVUBSMRATEY-UHFFFAOYSA-N 277.345 3.981 30 20 CHED CC/C(C)=C(\C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 780024275 QVKQFXHJVNOLSR-CCEZHUSRSA-N 294.398 3.920 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(C#N)cc1Cl 788438593 BQJMVWSGPBTBQC-UHFFFAOYSA-N 290.672 3.905 30 20 CHED Cc1ccc(C(=O)/C=C/C(=O)Nc2cccc(C)c2C)cc1 899909974 AEBISQOMXCIQGT-VAWYXSNFSA-N 293.366 3.989 30 20 CHED CCC1(CC)CCN(C(=O)c2ccc(C#N)cc2F)CC1 1138406499 YELRVYSSSDRHQO-UHFFFAOYSA-N 288.366 3.740 30 20 CHED CC(C)(C)c1cnc(SCc2ccc(C#N)cn2)s1 788105305 KCZDAPKYNZKESD-UHFFFAOYSA-N 289.429 4.000 30 20 CHED CCc1ccccc1CON=C(C)Cn1nc(C)cc1C 783553871 RLBXVYBUFAQXJC-UHFFFAOYSA-N 285.391 3.655 30 20 CHED CC[C@@H]1CCC[C@@H](C=Nn2cc(Br)cn2)C1 783856369 AFRBOGJHUOELRF-GHMZBOCLSA-N 284.201 3.696 30 20 CHED CC[C@@H](C)NN=Cc1cc(Cl)ccc1OC(F)F 790183043 JHGJYZILSOUSFU-MRVPVSSYSA-N 276.714 3.663 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccc(C)c(C)c2)CCC1 791564711 XWNHCOBKDCMVJN-UHFFFAOYSA-N 286.371 3.776 30 20 CHED Cc1cc(N2CCC[C@@H](C#N)C2)c2ccc(F)c(F)c2n1 895651431 YMZHZZJTSIHNPO-NSHDSACASA-N 287.313 3.561 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1ccc(F)c(C#N)c1 790849155 GRSLTJDQJWQVPQ-GFCCVEGCSA-N 283.302 3.924 30 20 CHED N#CCC1CCN(Cc2cccc(C(F)F)c2)CC1 547767957 URPUIXISQZQZTC-UHFFFAOYSA-N 264.319 3.750 30 20 CHED Fc1cccnc1NN=C1CCC[C@@H]1c1ccccc1 794990918 SCSRWBRNMWYPFE-CYBMUJFWSA-N 269.323 3.956 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C[C@H]2C=CCC2)s1 797571382 OFCOTHWUALOOOA-RYUDHWBXSA-N 288.416 3.973 30 20 CHED N#Cc1cccc(CSc2nc3cnccc3s2)c1 702995534 IZTDRYOGHCIGDJ-UHFFFAOYSA-N 283.381 3.855 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCCCCCCC 798039382 UAMFKKHJDDCJES-DOTOQJQBSA-N 281.440 3.834 30 20 CHED COc1ccc2cc(C=NNCCC(F)(F)F)ccc2c1 794548070 OUOYRAVYRWPJHW-UHFFFAOYSA-N 296.292 3.724 30 20 CHED C=CCC(C)(C)C(=O)O[C@H]1CCOc2ccccc21 797013927 CASPNBRVQWZLQV-AWEZNQCLSA-N 260.333 3.656 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1c2ccccc2C[C@H]1O 793534157 OMVMJUGWGKIFAL-BMGDILEWSA-N 273.420 3.759 30 20 CHED CC(C)[C@H]1CCCC(=NNc2ncncc2Cl)C1 794535100 FXOZFDYVZQNJFX-JTQLQIEISA-N 266.776 3.744 30 20 CHED Cc1ccc(/C=C2\COc3cc(F)ccc3C2=O)cc1 794728472 QTAKRCLDBLRXTE-MDWZMJQESA-N 268.287 3.793 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(C)c(C)o2)c1OC 799895342 AKWHWQDMBVNBIP-CMDGGOBGSA-N 286.327 3.810 30 20 CHED Cc1ccc(C(=O)OCC(=O)C2CCCCCC2)cc1C#N 799549325 NKXCUTMNGFERJP-UHFFFAOYSA-N 299.370 3.563 30 20 CHED CC[C@H](C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797569166 NUHHRKNSHDBXAI-VHSXEESVSA-N 264.394 3.663 30 20 CHED CCc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1 799513596 FTUNKUPSOSHRAP-XFXZXTDPSA-N 276.339 3.773 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCC(F)(F)C1 695739390 UAJHEPBFBXJHCN-SECBINFHSA-N 298.720 3.976 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OC(C)C)cc1C 767072156 IFEXZLGDEXTNRC-UHFFFAOYSA-N 273.376 3.770 30 20 CHED N#Cc1ccc(Oc2cccc(F)c2F)cc1[N+](=O)[O-] 94593620 BZVUWTAJKLNJHE-UHFFFAOYSA-N 276.198 3.537 30 20 CHED N#Cc1ccnc(SCCc2c(F)cccc2F)c1 1165519680 HGKPGRKBMBALLW-UHFFFAOYSA-N 276.311 3.566 30 20 CHED C[C@H]1CC[C@@H](C)N1c1cc(Br)c(C#N)cc1F 1162787497 WUPFGHROXVQGRE-DTORHVGOSA-N 297.171 3.837 30 20 CHED C[C@H]1CC[C@H](Nc2ncc(C#N)cc2Br)CC1 1162470878 FKBIVQNJPICWTP-HOMQSWHASA-N 294.196 3.706 30 20 CHED CC(C)c1nc(C=NNc2nc3ccccc3n2C)cs1 1319518016 HKCUDLJRHAEAQJ-UHFFFAOYSA-N 299.403 3.599 30 20 CHED Fc1cccc(NN=Cc2ccc(N3CCCC3)cc2)c1 1317993138 OYRHUTPLDWBKIU-UHFFFAOYSA-N 283.350 3.872 30 20 CHED Cc1ccc(NN=Cc2cncs2)cc1Cl 1319795520 YVNFHKGHEKYVEN-UHFFFAOYSA-N 251.742 3.551 30 20 CHED Cc1cc(Br)cc(C(=O)OCCCC#N)c1C 1328041806 FKKNKDPENMSAIE-UHFFFAOYSA-N 296.164 3.527 30 20 CHED Cc1ccc(C)c(OCc2nnc(C#CC(C)(C)C)o2)c1 1327832819 AIRZSEYNGHYZMC-UHFFFAOYSA-N 284.359 3.663 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NCCCC(F)F 1335094271 LNNVDXUXQRPAMK-UHFFFAOYSA-N 297.255 3.842 30 20 CHED C=C(C)CCC(=O)N(C)Cc1cccc(Cl)c1 1336811025 KJWPHVQPMDRVGI-UHFFFAOYSA-N 251.757 3.655 30 20 CHED C#CCCCCCC(=O)N1CC[C@H]2CCCC[C@H]2C1 1254360250 XHBJSIUVFYKMLJ-CVEARBPZSA-N 261.409 3.609 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CC(C)(C)c1ccccc1 1338328886 NDSXXVVQLSLBKO-OAHLLOKOSA-N 272.392 3.505 30 20 CHED CC(C)(C)CCCC(=O)Nc1cnc(Cl)cc1C#N 1338153078 WCVQZFTWQVQORS-UHFFFAOYSA-N 279.771 3.762 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)O[C@H]1CC[C@@H](C#N)C1 1342576861 YOLNDXBJHBPGHQ-MNOVXSKESA-N 292.404 3.598 30 20 CHED CCC[C@@](C)(CC)c1nnc(COc2ccccc2C#N)o1 1261573169 LILANHUXXNPATO-QGZVFWFLSA-N 299.374 3.988 30 20 CHED C=CC[C@H](C(=O)OCc1oc(C)nc1C)c1ccccc1 1349818771 YDWYDGCRRMXYBG-HNNXBMFYSA-N 285.343 3.695 30 20 CHED C=C[C@@H](C(=O)NC[C@H]1CCCCC1(F)F)c1ccccc1 1347137620 XXZGPYSSWSICQL-HUUCEWRRSA-N 293.357 3.898 30 20 CHED CCC[C@H]1CCCCN1Cc1cc(C#N)ccc1F 213540343 ORFLTGGERJQHLT-HNNXBMFYSA-N 260.356 3.852 30 20 CHED Cc1ccc2c(c1)N(C(=O)[C@H](CC#N)c1ccccc1)CC2 1357871926 VNCUUDPSXPFYQY-QGZVFWFLSA-N 290.366 3.582 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccccc1CC#N 1445336751 XMVIRHFKFWXJNA-CZUORRHYSA-N 284.403 3.697 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@H](CC)CC1 1524061273 JPUACHCNWAFJTI-LBPRGKRZSA-N 298.381 3.808 30 20 CHED CSc1c(F)cccc1NC(=O)c1cc(C#N)oc1C 1528397653 YHWURYYLKKFRIL-UHFFFAOYSA-N 290.319 3.573 30 20 CHED C=C(C)COc1cccc(NCc2cccc(C(=O)O)c2)c1 1602764669 KQQNLTYCGSEMSG-UHFFFAOYSA-N 297.354 3.952 30 20 CHED C=CCC1(C(=O)Nc2cccc(C(=O)O)c2Cl)CCC1 1602850009 QRDJOBIMJYTAKY-UHFFFAOYSA-N 293.750 3.723 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc3c(c2)CCC=C3)c1 1462169426 GRHIRIRVCSLLGL-UHFFFAOYSA-N 292.313 3.909 30 20 CHED Cc1cc(C#N)cc(NC(=O)C(C)(C)c2ccc(F)cc2)c1 1535893135 OTLGWRANWHYRCV-UHFFFAOYSA-N 296.345 3.922 30 20 CHED COc1ccc(NC(=O)[C@H](C)CC2CCCC2)cc1C#N 1535536768 MLMYGXNXUXFQCZ-GFCCVEGCSA-N 286.375 3.722 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2c(F)cccc2Cl)c1 1610866437 RPRHONNCZGROFD-PLNGDYQASA-N 294.665 3.666 30 20 CHED CCCC[C@H](C(=O)N(CCC#N)CC(C)C)C(C)C 1544093289 BQZAICGSXCMOPO-HNNXBMFYSA-N 266.429 3.847 30 20 CHED C=C(Cl)CN1CCN(CCC)c2ccc(F)cc21 1473442802 NDULEIZKNQKQIV-UHFFFAOYSA-N 268.763 3.615 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1cc(F)cc(C#N)c1 1544397003 MLBPEABJUUIAAS-HNNXBMFYSA-N 262.328 3.852 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 227358429 KSGDDVAQHNLAFL-GHMZBOCLSA-N 282.359 3.923 30 20 CHED C=C[C@H](C)N[C@H]1CCc2sc(Br)cc21 307639580 FUVXBDUKAAAXFM-CBAPKCEASA-N 272.211 3.662 30 20 CHED CCC[C@H](CC)C(=O)N(CCC#N)CC(CC)CC 1628441049 FQNFESQVQAJTQY-HNNXBMFYSA-N 266.429 3.991 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)NCC1(C#N)CC1 1564666652 WGQIQSLESQGOMK-HNNXBMFYSA-N 293.455 3.928 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H](C)c1cc2ccccc2o1 1631260038 HCVREMSYGJRTAQ-CQSZACIVSA-N 298.386 3.935 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2F)cc1 1645527087 OSEWYSIJNJZAMU-LLVKDONJSA-N 284.290 3.716 30 20 CHED CCOC(=O)[C@H](Sc1ccc(C#N)c(C)c1)C(C)(C)C 1641226257 UFRYFFRUSOWMSM-AWEZNQCLSA-N 291.416 3.937 30 20 CHED CC[C@H](NCc1cccc(C#N)c1F)[C@H]1CC1(C)C 1646265695 MRNNHAYBDPVEPL-KGLIPLIRSA-N 260.356 3.612 30 20 CHED CCc1ccc(CCNc2nc(C#N)c(Cl)s2)cc1 1642295837 RDPYQWMGQCLJIL-UHFFFAOYSA-N 291.807 3.885 30 20 CHED C=C(Cl)CN(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1646026122 LACXFWBUUKRLGY-CABCVRRESA-N 279.811 3.917 30 20 CHED C=CCCCCC[C@H](C)N[C@H](c1cnn[nH]1)C(C)C 1575093547 MOHYTOZMVAOQNN-ZFWWWQNUSA-N 264.417 3.616 30 20 CHED C[C@@H]1C[C@H](N[C@@H](C)CC#N)C[C@@H](c2ccccc2)C1 1657903471 OFJJIBMSXJCQTM-OTRWWLKZSA-N 256.393 3.851 30 20 CHED Cc1ccccc1C[C@@H]1CCCN1CC1(CC#N)CC1 1652530073 IJQJARDADOASIO-KRWDZBQOSA-N 268.404 3.696 30 20 CHED C[C@]1(c2ccccc2)CC[C@@H](N2CCC[C@@H](C#N)C2)C1 1658883818 NMOYYECXMAPYEK-JQHSSLGASA-N 268.404 3.732 30 20 CHED COC[C@@H](CC(C)(C)C)Nc1cc(C)cc(C#N)c1 1659444034 IUNIYOQANNKLAF-OAHLLOKOSA-N 260.381 3.730 30 20 CHED C[C@H](C(=O)O)c1cccc(Nc2cccc(F)c2C#N)c1 1589539746 KOUWETJVTXLUEJ-JTQLQIEISA-N 284.290 3.629 30 20 CHED C=CCC[C@H](CC)NC[C@H](CC1CCCC1)C(=O)O 1588777958 NVOAJFUSMSEVII-GJZGRUSLSA-N 267.413 3.602 30 20 CHED C[C@@H](CC(=O)O)c1ccc(-c2ccc(C#N)s2)cc1 1592424812 XBQDJIGZGDJJCU-JTQLQIEISA-N 271.341 3.865 30 20 CHED O=C(O)c1ccc(/C=C2/CCc3ccccc3C2=O)s1 1777673408 UKMXFBOFXBWNSJ-LUAWRHEFSA-N 284.336 3.659 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCC2CCCCC2)C1 1776153103 KPXIJASFRVXDLC-QGZVFWFLSA-N 279.424 3.700 30 20 CHED C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(C#N)cc1 162948655 HJUYZLBLAGQPDU-RUGDWHBFSA-N 296.414 3.557 30 20 CHED CCN(CC)CCCNc1ccc(C(F)(F)F)c(C#N)c1 163908811 HUVMLRQKCOWLRW-UHFFFAOYSA-N 299.340 3.721 30 20 CHED CCOc1ccccc1CN(CCC#N)Cc1ccco1 153077166 NPDHLTJCZDIQMD-UHFFFAOYSA-N 284.359 3.594 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 154264902 KQAYCPVYTJSQBE-DTWKUNHWSA-N 262.378 3.512 30 20 CHED C#Cc1ccc(CNc2ccc(C)c(OC)c2C)cc1 809595981 WKBFUDBAOHTZNW-UHFFFAOYSA-N 265.356 3.905 30 20 CHED C=CCN(Cc1coc(-c2cccc(F)c2)n1)C(C)C 917071126 NVSCLNOMGDTFPK-UHFFFAOYSA-N 274.339 3.877 30 20 CHED C=C(C)CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 67401353 KSZZBZSJTJYEEU-INIZCTEOSA-N 279.811 3.662 30 20 CHED CC[C@H](CC#N)N[C@H]1CCCC[C@H]1c1ccccc1 251398731 YNAGZCKBOLIYMW-IKGGRYGDSA-N 256.393 3.995 30 20 CHED N#Cc1ccc(OCc2csc(C3CC3)n2)cc1F 270273813 KUXLXFNGMYNREE-UHFFFAOYSA-N 274.320 3.610 30 20 CHED N#Cc1cc(F)ccc1NCc1cc(F)cc(F)c1 169261239 QEFWQYCEGFQDPH-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1ccc(CNc2cnc3ccccc3c2)cc1 36989922 MTBXXADBQBJSJP-UHFFFAOYSA-N 259.312 3.719 30 20 CHED N#Cc1cccc(CNCc2c(F)cccc2Cl)c1 37501718 HTYARSVIUXZFIT-UHFFFAOYSA-N 274.726 3.641 30 20 CHED CC(C)CN(CCC#N)C(=O)c1csc2ccccc12 49942906 HVLYDYLAMIJATJ-UHFFFAOYSA-N 286.400 3.913 30 20 CHED CC[C@@H](CC#N)NCc1c(OC)ccc2ccccc12 54183413 JEXBCJCPKFCGNV-AWEZNQCLSA-N 268.360 3.630 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 294226049 MLXIDEIRWNHCOC-UHFFFAOYSA-N 296.754 3.580 30 20 CHED Cc1cnccc1CCNc1cc(Cl)ccc1C#N 301823821 HWHRBCQEWWVQIY-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(Br)c1 193253422 SKYFGVSFRGNJCE-UHFFFAOYSA-N 295.180 3.655 30 20 CHED C=CCCCCN[C@@H](C)c1cnn(-c2ccccc2)c1 312235523 BGTOFBFMJYMKRP-HNNXBMFYSA-N 269.392 3.879 30 20 CHED CC[C@H](O)[C@H](CC)Nc1ccc(C#N)c(C(F)(F)F)c1 313113071 NAYYMBXKRVWNHP-STQMWFEESA-N 286.297 3.538 30 20 CHED N#CCCSCc1cscc1Br 577124391 BDPRGJGWTPVVPV-UHFFFAOYSA-N 262.197 3.657 30 20 CHED N#CCCC1CCN(Cc2cnc(C3CC3)s2)CC1 592517293 XRKJJBXZBLYQKI-UHFFFAOYSA-N 275.421 3.536 30 20 CHED FC(F)c1ccc(C=NNCc2ccccc2)cc1 794478952 BOIFMQYWHOMGGO-UHFFFAOYSA-N 260.287 3.748 30 20 CHED C[C@@H](NC[C@H]1CCCC1(F)F)c1cccc(C#N)c1 390895778 DBQSKNWXRFYCAQ-BXUZGUMPSA-N 264.319 3.644 30 20 CHED CCOc1ccccc1OCc1ccc(CC#N)cc1 398992188 LZLOHZDWDUZBQN-UHFFFAOYSA-N 267.328 3.730 30 20 CHED C#CCCCN(Cc1ccccc1)Cc1ccco1 766895882 ULTUFVOZRUYMEV-UHFFFAOYSA-N 253.345 3.695 30 20 CHED N#CCC[C@H](C#N)CSc1ccc2ccccc2n1 7032030 YCRZDAXBJYZDHH-GFCCVEGCSA-N 267.357 3.770 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1cccc(F)c1 50355282 DRDNJGKSJFODRG-LLVKDONJSA-N 269.275 3.615 30 20 CHED C=CCS[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 114756825 WWEWMHOTLRZZMV-WDEREUQCSA-N 283.824 3.825 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)CCC1CCC1 176586753 VQDIYXBQWOOPIP-GOSISDBHSA-N 284.403 3.598 30 20 CHED CCC[C@H](C)CC(=O)Nc1ccnn1-c1ccc(C#N)cc1 112830988 VJOBRJAPMKFASY-ZDUSSCGKSA-N 296.374 3.509 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2ccc(F)cc2C#N)C1 343731040 YRTDQWGWTHVWNG-WBMJQRKESA-N 260.356 3.708 30 20 CHED C=CCN(C(=O)c1ccc(N(C)C)c(F)c1)c1ccccc1 65850943 GUOLMQMTAHXOJX-UHFFFAOYSA-N 298.361 3.725 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCCC(C)(C)CC1 178550794 HWSXPZXOHDWOQI-UHFFFAOYSA-N 285.391 3.911 30 20 CHED C=C[C@H](CC(=O)Nc1sccc1C#N)c1ccccc1 179883747 MLMXIXWTSJFUIV-GFCCVEGCSA-N 282.368 3.918 30 20 CHED C=CC[C@@H](C)NC(=O)NCCc1c[nH]c2c(CC)cccc12 116971477 MECDANYQFKRKEA-CYBMUJFWSA-N 299.418 3.537 30 20 CHED CCCCCCCCN1CCC[C@@H](C)[C@H]1C(=O)O 300274444 SSLBMYNRNSKKQK-KGLIPLIRSA-N 255.402 3.532 30 20 CHED C=CCC[C@H](NC(=O)C1=CCCCO1)c1ccccc1 178879246 LTTCGWBGGZKUPV-HNNXBMFYSA-N 271.360 3.504 30 20 CHED CCC(CC)n1nccc1C(=O)Nc1cc(C#N)ccc1C 119510111 ZUTVMXIRPUQTHE-UHFFFAOYSA-N 296.374 3.677 30 20 CHED CC(C)CC[C@@H](Nc1ccc(C#N)nn1)C(C)(C)C 302001579 QMYURVSGCFSOLB-CYBMUJFWSA-N 260.385 3.611 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc(Cl)c1F 178383192 VHJBWQIQFOWGRU-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCN(Cc1ccccc1)Cc1nc(CCC(C)C)no1 64508002 KGIUCEOKYQTXQT-UHFFFAOYSA-N 299.418 3.846 30 20 CHED CC(C)(NCc1ccc(C#N)s1)c1ccc(F)cc1 176962433 ZTJRPQGGYHEBFV-UHFFFAOYSA-N 274.364 3.784 30 20 CHED C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1SCC 175281217 RTVFXFADJGZZHV-OLZOCXBDSA-N 255.427 3.523 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(Cl)c1C 69312448 KSYTZCAWIOQLIB-NSHDSACASA-N 267.756 3.568 30 20 CHED C=CCc1ccc(OCc2noc(C(C)C)n2)c(OC)c1 67097446 WBWXGMCMJPOXMO-UHFFFAOYSA-N 288.347 3.509 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1ccc(C#N)s1)C2=O 122557166 JEGAPHCCGRHZPO-FMIVXFBMSA-N 295.363 3.977 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CSc2ccccc21 178383368 QUPNTSVERGYETD-CQSZACIVSA-N 294.379 3.695 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 125542976 JXQYXXPVQRRFBY-UHFFFAOYSA-N 299.349 3.718 30 20 CHED N#Cc1ccc(N[C@@H]2CCSc3c(F)cccc32)nc1 301098709 WYBHXQNATLQWPC-CYBMUJFWSA-N 285.347 3.741 30 20 CHED CC(C)[C@H](Nc1ccc(C#N)nn1)c1ccccc1Cl 301990237 MDKJNFUQDQDQDV-HNNXBMFYSA-N 286.766 3.811 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2sccc2C)c1 212585804 XDSSDNYEKLAZES-ALCCZGGFSA-N 288.368 3.970 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H](C[C@@H]2CCOC2)c2ccccc2)C1 185870377 QCIFFVAGJZSAMZ-RNIPGJKVSA-N 298.430 3.826 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@@H](C)C1 126261239 FXABQSSKAUNORY-DGCLKSJQSA-N 256.349 3.632 30 20 CHED CC#CCCCC(=O)Oc1ccc(OC(C)C)cc1 185820940 ATMLLRGLZWYETB-UHFFFAOYSA-N 260.333 3.573 30 20 CHED COc1ccc2sc(C(=O)OC(C)(C)C#N)c(C)c2c1 181814297 VJTNSYIMPWBJAV-UHFFFAOYSA-N 289.356 3.677 30 20 CHED C=CCCC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 182754101 KQBWDRJCHWXYOY-GFCCVEGCSA-N 293.235 3.651 30 20 CHED CC(C)(C#N)OC(=O)/C=C/c1cccc(OC2CCCC2)c1 181850428 FZCACZRCJBKVMU-ZHACJKMWSA-N 299.370 3.867 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@H]1CCOc2c(F)cccc21 188050895 MFDRDXDZRCFJKB-XUJVJEKNSA-N 263.356 3.840 30 20 CHED C[C@H]1CC[C@H](Nc2c(F)cc(C#N)cc2F)CC1 252962378 OYFZSDJAGLFVQL-HOMQSWHASA-N 250.292 3.827 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cccc2cccnc12 180627931 QXNGBQFZQOZYMO-CQSZACIVSA-N 297.402 3.779 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(CC#N)cc2)C1 76083611 BBGKIAFSEAJWGG-XJKSGUPXSA-N 285.391 3.795 30 20 CHED N#CCOc1cccc(NCc2ccc(Cl)s2)c1 37069439 WREIENLEJDBPLH-UHFFFAOYSA-N 278.764 3.916 30 20 CHED CC(C)Cc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 189582322 NGPSUTDJMHMOLH-HNNXBMFYSA-N 295.430 3.946 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc(C)s1)C(C)C 123832974 RCKZLLLKJPRDDO-AWEZNQCLSA-N 267.438 3.594 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)[C@]1(C#N)CC12CCCC2 410839406 CCHNMJHKHNUAJE-RDTXWAMCSA-N 288.435 3.888 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Cc1ccccc1Cl 180388754 XDSVXNVEJIZHCG-GFCCVEGCSA-N 265.784 3.553 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl 410180801 LWQOXRLHVKAKGP-CYBMUJFWSA-N 293.794 3.616 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(C#N)c(F)c1 483963304 QMWVRMQPYUFQMV-MRRJBJDNSA-N 272.367 3.850 30 20 CHED COCC[C@@H](NCCC1(C#N)CCCCC1)c1ccco1 411520705 WWYLKDBMIBUFMO-OAHLLOKOSA-N 290.407 3.811 30 20 CHED C[C@@H](NCCCCC(F)(F)F)c1ccc(C#N)cc1 130997798 FSLDHVXBDDVAPG-LLVKDONJSA-N 270.298 3.941 30 20 CHED C=C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 120282070 BBROGTQKKMMZDQ-CYBMUJFWSA-N 296.326 3.893 30 20 CHED C=CCN(C(=O)c1ccc(COC)cc1)c1ccccc1 73982160 PRDKHMSLOXJICR-UHFFFAOYSA-N 281.355 3.666 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc2ncccc2c1 315476287 ZGLOKQOJVJDNHJ-UHFFFAOYSA-N 287.366 3.738 30 20 CHED C=CCOCCCC(=O)N[C@H]1CC(C)(C)c2ccccc21 127413233 CGCUBTVSGREHCC-INIZCTEOSA-N 287.403 3.508 30 20 CHED C=CCC(CC=C)c1nc(COc2ccccc2)no1 124443210 QVPRIZXFVKWKHA-UHFFFAOYSA-N 270.332 3.884 30 20 CHED CC(C)(C#N)CCOc1cccc(OCC(F)(F)F)c1 410309295 UAFVIXRCDVHMNZ-UHFFFAOYSA-N 287.281 3.946 30 20 CHED CN(Cc1cccc(C#N)c1)c1ncccc1C(F)(F)F 47511218 UGDYBYLSVPZPMN-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1nc(C(C)(C)C)cs1 188284433 PMWXAUQWSSWMBJ-INIZCTEOSA-N 294.464 3.702 30 20 CHED C=C(C)CSc1nnc(-c2ccccc2F)o1 72738649 KZDIWRVFBRYXLE-UHFFFAOYSA-N 250.298 3.544 30 20 CHED Cc1c(C#N)cccc1C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 509457600 YZVJDYOITXMTNX-SUYBPPKGSA-N 282.387 3.660 30 20 CHED Cc1ccc(-c2nc(C)c([C@H](C)N(C)CC#N)s2)cc1 134201205 VSMGKYOTEFFAFJ-ZDUSSCGKSA-N 285.416 3.943 30 20 CHED N#Cc1cccc(OCCCOc2ccc3[nH]ccc3c2)c1 505750000 IJGOAVRJFPTHGP-UHFFFAOYSA-N 292.338 3.887 30 20 CHED Cc1csc(CN[C@H](CCC#N)c2ccccc2)n1 130453955 JAIZJTKADFNNOZ-CQSZACIVSA-N 271.389 3.586 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1C 49904447 XZNPSLJNIOZAPB-MRXNPFEDSA-N 298.773 3.952 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cnc3ccccc3c2)CCC1=O 328907343 LLIRHIYWYUVCBV-WCQYABFASA-N 282.343 3.828 30 20 CHED CC(C)OCc1ccc(Nc2ncc(C#N)cc2F)cc1 413067035 DJOHCIGTHYHXDV-UHFFFAOYSA-N 285.322 3.761 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)CC1CCCCCC1 135800666 YFVOSMRHLKNILN-UHFFFAOYSA-N 284.403 3.877 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(c2ccccc2C)CC1 424639808 IJUNFPGBDYWXGY-UHFFFAOYSA-N 271.404 3.745 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1cccc(CC#N)c1 49758971 ACZJRVIKFKGDIY-UHFFFAOYSA-N 294.354 3.792 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc(OC(F)F)c2)C1 193077120 ADILVVSXHSOYAW-QWRGUYRKSA-N 266.291 3.782 30 20 CHED C[C@H](Nc1snc(Cl)c1C#N)c1ccc(C#N)cc1 49065585 JFJHIZIOEQHMNH-QMMMGPOBSA-N 288.763 3.713 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)Cc2c(F)cc(F)cc21 131161786 RXFVIBJEBPREQV-YCRREMRBSA-N 291.684 3.836 30 20 CHED CN(Cc1ccc(F)c(F)c1)Cc1ccc(C#N)s1 130466459 LWUQOEPBRITKEU-UHFFFAOYSA-N 278.327 3.530 30 20 CHED N#CC1(c2ccccc2)CC(N[C@@H](C2CCC2)C2CC2)C1 325017138 DZRVSGDIPSAIRL-XBMUEBEBSA-N 280.415 3.779 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)C1CCC1 131458573 CCDOAAAWZIVDTF-HNNXBMFYSA-N 286.419 3.615 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2cc(F)ccc2o1 517753927 DUZPZXBQFMNURL-LBPRGKRZSA-N 261.296 3.656 30 20 CHED C=C(Cl)CNCc1cscc1C(F)(F)F 380302814 FAFVIZZJQQLXEZ-UHFFFAOYSA-N 255.692 3.609 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)Cc1cccc(F)c1 425607174 NLMQFHKNACMHKX-ZDUSSCGKSA-N 277.383 3.817 30 20 CHED Cn1cc(CNc2ccc3nc(C4CC4)oc3c2)cc1C#N 191445035 YBYKWAFHKWSAQO-UHFFFAOYSA-N 292.342 3.527 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)NC(C)(C)C 135762128 XEILAYFGMBNGOE-NSHDSACASA-N 291.420 3.858 30 20 CHED C[C@H](Nc1ccc(F)cc1OCC#N)C1CCSCC1 192704147 LWMCMSUWZRBCII-NSHDSACASA-N 294.395 3.672 30 20 CHED C[C@@H](CN(CC#N)C1CC1)c1cccc(Br)c1 511955183 DLKQMCJXJWXUNU-NSHDSACASA-N 293.208 3.541 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)c1ccccc1 425533414 KTKBFYJWZXTNLJ-HNNXBMFYSA-N 292.382 3.824 30 20 CHED C=CCCCCCNc1ccc(C(=O)N(C)C)c(C)c1 195449575 DLTQMYXWNAMBTG-UHFFFAOYSA-N 274.408 3.855 30 20 CHED Cc1ccc(CC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C 515366565 PGFLQCJMFNTSAD-OAHLLOKOSA-N 292.382 3.595 30 20 CHED C=CCN(CCC#N)CCc1ccc2ccccc2c1 428841014 BMSDLZGHJKPKPP-UHFFFAOYSA-N 264.372 3.784 30 20 CHED CC1(C#N)CCC(NC2CCC3(CCOCC3)CC2)CC1 336210053 YAOHOXICZWUNSR-UHFFFAOYSA-N 290.451 3.788 30 20 CHED CC(C)CN(c1ccc(C#N)c(Br)c1)C1CC1 228182708 LFPXWYCLEHSTCP-UHFFFAOYSA-N 293.208 3.946 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N[C@H](C#N)C(C)C)c1 511731016 VVXCOQQDJHZVEN-RHSMWYFYSA-N 286.419 3.653 30 20 CHED CCCCCCCCCS(=O)(=O)Cc1nccs1 190937110 BPYNHHLPXAGISF-UHFFFAOYSA-N 289.466 3.809 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(C)=O)c(C)c2)CCC1 191111999 QTHMKSKFVHUQTF-UHFFFAOYSA-N 271.360 3.883 30 20 CHED CCS[C@H]1CC[C@H](N(C)CC(C)(C)CCC#N)C1 93869072 ZWBKSYJTTYZKQK-KBPBESRZSA-N 268.470 3.922 30 20 CHED C[C@H](Nc1ccc(OC(F)F)nc1)c1ccc(C#N)cc1 338775597 GEGCBVGKWHTIJO-JTQLQIEISA-N 289.285 3.728 30 20 CHED CC1(C)CCCN(Cc2ccnc3ccccc23)[C@H]1C#N 517495450 FBEBLKDGGHEUGH-KRWDZBQOSA-N 279.387 3.749 30 20 CHED Cc1ccc(CSCCNc2cnccc2C#N)cc1 94132311 IMFXLZXDRRTUFM-UHFFFAOYSA-N 283.400 3.607 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1 266310805 AFUKMCTVAUNWDQ-QWHCGFSZSA-N 273.380 3.699 30 20 CHED N#Cc1csc(CN2CCC(Oc3ccccc3)CC2)c1 91682716 OCIKOSCHQDTOBO-UHFFFAOYSA-N 298.411 3.663 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](C(=N)O)c2ccccc21 332708463 ODJKLAOHOPYHHN-GUYCJALGSA-N 286.375 3.644 30 20 CHED CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)Nc1cccc(Cl)c1 330981693 OFWXDRGWVKMSEG-BXUZGUMPSA-N 296.798 3.727 30 20 CHED CC(C)(CCC#N)CN1CCO[C@](C)(c2ccccc2)C1 93342047 NKOGQGRLHLWKBK-SFHVURJKSA-N 286.419 3.564 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCC(C)(C)C1 435735351 MEAZNRLZZXMSKN-ZNMIVQPWSA-N 251.414 3.526 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(SC)cc1 437495741 MUGYTPLXKDUZQM-MRXNPFEDSA-N 277.433 3.670 30 20 CHED C=CCCN(C)C(=O)c1nc(C)sc1-c1ccccc1 344263281 MGZZYQATCGZSGK-UHFFFAOYSA-N 286.400 3.767 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2ccncc2)c(Cl)c1 439433059 YDOYRWLBMPNYOM-KRWDZBQOSA-N 297.789 3.944 30 20 CHED Cc1cc(C#N)ccc1OCc1cccc2c1CCOC2 600858494 AFIOCLSHIHFIEJ-UHFFFAOYSA-N 279.339 3.518 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CSC1CCC(C)(C)CC1 344443512 FFZTUPKSAHHJKB-INIZCTEOSA-N 296.480 3.743 30 20 CHED N#Cc1ccc(CNc2ccc(F)cc2)c(OC(F)F)c1 439556916 OFTXHWZTCVLAKQ-UHFFFAOYSA-N 292.260 3.911 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)NCCC#N)c2)o1 432986714 AYFOWMHFAGGLQC-UHFFFAOYSA-N 283.331 3.599 30 20 CHED COc1cccc([C@H](C)NCc2ccc(F)cc2C#N)c1 341187299 BXPLHDLKHGYMDH-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=CCCOCCCCC(=O)N1CCC2(CCCC2)CC1 342868775 JMAINWRTUVEVRL-UHFFFAOYSA-N 293.451 3.932 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(C)noc2C)c(C)c1 255867577 DYYHSIUAXPNRDR-FPLPWBNLSA-N 255.317 3.804 30 20 CHED CC(C)N(CCC#N)C(=O)CCCc1ccc(Cl)cc1 523281929 PAEQUXSEDPIKHI-UHFFFAOYSA-N 292.810 3.813 30 20 CHED N#Cc1c(F)cccc1-c1cccc(CNCC2CC2)c1 600789618 GPYRBMXAESPKMZ-UHFFFAOYSA-N 280.346 3.864 30 20 CHED N#CCc1ccccc1C(=O)NC1CCC(C2CCC2)CC1 601677194 XJYUZFQFJDQZQR-UHFFFAOYSA-N 296.414 3.841 30 20 CHED C=CCCCCCN(C)C(=O)COc1ccc(Cl)cc1 606816917 ZETYMARNGSFJIJ-UHFFFAOYSA-N 295.810 3.924 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 602306441 DAFSKMCHQWBKRK-MNOVXSKESA-N 290.329 3.506 30 20 CHED COc1cc(/C=C\C(=O)C2CCCCC2)ccc1OCC#N 254970928 HPTQRTFZKBWJTJ-CLFYSBASSA-N 299.370 3.760 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cccc(Cl)c1 352579918 HHUCGETUISGKGE-UHFFFAOYSA-N 289.762 3.804 30 20 CHED C[C@H]1CCC[C@H](C)N1C(=O)c1cc2ccccc2n1CC#N 609215846 PNVTUKRTXYLILN-KBPBESRZSA-N 295.386 3.568 30 20 CHED C=CCOCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H](C)CC 607582518 MHUMRFVDCWLTHE-BLLLJJGKSA-N 295.810 3.746 30 20 CHED CCN(C(=O)C[C@H](CC#N)c1ccccc1)c1cccnc1 355638862 WPHVDWAJSPGMAD-INIZCTEOSA-N 293.370 3.522 30 20 CHED CC1(C)C(CNC(=O)C[C@H](CC#N)c2ccccc2)C1(C)C 358312560 RHPFYIUZGGPZOH-HNNXBMFYSA-N 298.430 3.872 30 20 CHED C=CCN(Cc1ccc(Cl)s1)CC1CCOCC1 264921776 SGGYTABYMYTJBM-UHFFFAOYSA-N 285.840 3.816 30 20 CHED COc1cc(CN(C)[C@@H]2CCc3ccccc32)ccc1C#N 442802980 UVCKOTHVZIXJNS-GOSISDBHSA-N 292.382 3.686 30 20 CHED Cc1c(C#N)c(NC(=O)CC(C)C)n(-c2ccccc2)c1C 611467467 NCJSFVFEHMJUDN-UHFFFAOYSA-N 295.386 3.950 30 20 CHED CCc1ccc(-c2ccc(C(=O)N(CC#N)C3CC3)o2)cc1 266316782 YEDIPIZVXGEPDH-UHFFFAOYSA-N 294.354 3.637 30 20 CHED CC(C)[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612366434 QTOROJUBOTTYSF-AEFFLSMTSA-N 284.403 3.578 30 20 CHED CCN(CCCn1ccnc1C)[C@H](C)c1ccc(C#N)cc1 269137072 UIBLXWDCWOQYOT-OAHLLOKOSA-N 296.418 3.536 30 20 CHED Cc1cnc([C@H](C)Nc2snc(Cl)c2C#N)s1 267419648 UIFYCDOJCNVLTQ-LURJTMIESA-N 284.797 3.606 30 20 CHED Cc1cccc(C)c1CC(=O)N[C@H](C)c1ccc(C#N)cc1 538499625 BZSAHWWOCWSIRN-OAHLLOKOSA-N 292.382 3.595 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cncc(C(F)(F)F)c2)C1 617778861 PVRUKFUHDDCQDF-LLVKDONJSA-N 298.308 3.529 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 449303806 ZBMOLUIDGPRTPZ-BBWFWOEESA-N 292.467 3.502 30 20 CHED C=C(C)CCN[C@H]1CCCc2nc(CC)sc21 453319105 NGRAPUBFENJIGH-NSHDSACASA-N 250.411 3.639 30 20 CHED CC[C@@H](C(=O)NCC(C)(C)C#N)C1CCC(C)CC1 613133213 HPLPOUUCOWUPLK-JXQTWKCFSA-N 264.413 3.505 30 20 CHED CCC1(NC(=O)[C@H](C#N)CCc2ccccc2)CCCCC1 456229327 JZBMJHMQQOUBBF-KRWDZBQOSA-N 298.430 3.988 30 20 CHED Cc1ccc(CSc2nc3c(cc2C#N)CCCC3)nc1 610928384 VBBURCKCZDMNPR-UHFFFAOYSA-N 295.411 3.828 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NC1CCC(C)(c2ccccc2)CC1 450155448 HQQPDODHDKJBFH-WLHONDITSA-N 296.414 3.553 30 20 CHED CC(C)(CCC#N)CN[C@@H](c1ncc[nH]1)C1CCCCC1 367904980 SSXNSXFGSDAOMP-OAHLLOKOSA-N 288.439 3.951 30 20 CHED CC[C@H](N[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 618574758 JOTZVGXHKRTIEK-KBPBESRZSA-N 264.319 3.787 30 20 CHED CCc1ccc([C@H](C)NC(=O)N2CCC(CC#N)CC2)cc1 611619352 URAVHKCUVPHPRQ-AWEZNQCLSA-N 299.418 3.645 30 20 CHED Cc1cccc2c(N3CCCCCC3)c(C#N)cnc12 610210881 HFUYHJWLEYOVLT-UHFFFAOYSA-N 265.360 3.795 30 20 CHED CC(C)C[C@@]1(C)CCCN1CCCC1(C#N)CCOCC1 451285852 CDXBNJDBIMCUMO-QGZVFWFLSA-N 292.467 3.988 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2sccc2C#N)CC[C@H]1C 459867245 YQPCIXOLGJKUPM-VWYCJHECSA-N 262.378 3.631 30 20 CHED C=CCCCC(=O)N1CCS[C@@H](c2ccccc2)C1 363595325 NOPGJHPKGOGOOP-OAHLLOKOSA-N 275.417 3.659 30 20 CHED C=CCN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)C1CC1 271458964 WWIAMKSPWWMZCW-CMDGGOBGSA-N 290.432 3.631 30 20 CHED C=CCC[C@@H](C(=O)NCc1ccc(C)nc1)c1ccccc1 274961904 ABFGBZNHYUGDBO-GOSISDBHSA-N 294.398 3.756 30 20 CHED Cc1cc(NC(=O)NCC(C)(C)CC#N)ccc1C1CC1 459498667 VYPBXLDZYKVLOK-UHFFFAOYSA-N 285.391 3.934 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC(F)F)c1ccccc1)OCC 270339628 NEYCWBVHYKAPIC-CQSZACIVSA-N 297.345 3.656 30 20 CHED C=CCC[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 541743067 CHBOZXDKLALRMR-SCLBCKFNSA-N 287.403 3.853 30 20 CHED CN(Cc1ccc(CC#N)cc1)c1c(F)cccc1F 542212262 KYELUPIXIZYCRD-UHFFFAOYSA-N 272.298 3.667 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1C#N 459832628 JMAPHAQLNFYSQQ-OCCSQVGLSA-N 256.349 3.713 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCSc2ccc(F)cc21 453354110 NAVRKCCJOVGELT-ZNMIVQPWSA-N 293.407 3.686 30 20 CHED C[C@@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 452686388 RUACEGJOUOBUOL-LLVKDONJSA-N 286.375 3.720 30 20 CHED N#CCC[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 361862897 RAEFHYJHCQYFPB-SFHVURJKSA-N 293.345 3.832 30 20 CHED CC(C)CN(CC1CCC(=O)CC1)c1ccc(C#N)cc1 450523231 FBJJMQZLXTVODG-UHFFFAOYSA-N 284.403 3.780 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1noc(-c2ccccc2C)n1 276746722 KBUOGKJGVCPWMB-OCCSQVGLSA-N 285.391 3.735 30 20 CHED N#Cc1cccc(CN[C@@H](Cc2ccccc2)C2CC2)c1F 544445165 QZVQXQNZKLYLPB-SFHVURJKSA-N 294.373 3.808 30 20 CHED C=C1CCN(C(=O)[C@H](C)c2cc3ccccc3o2)CC1 361156938 ZRUPSCLBHGYBSG-CYBMUJFWSA-N 269.344 3.715 30 20 CHED C=CCCCCNCc1c(C)nn(C(C)(C)C)c1C 274566812 HZLGCJMZRCGXCT-UHFFFAOYSA-N 263.429 3.701 30 20 CHED Cc1ccnc(N2C[C@@H](C)C[C@@H]2c2ccccc2F)c1C#N 541276925 CFZBPOKHSYQZPA-YVEFUNNKSA-N 295.361 3.988 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1cccc(CC#N)c1 456750223 LWRSYIBDFHMCLJ-INIZCTEOSA-N 258.365 3.908 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(OC(C)C)c2)CC1 455773961 WFJBRAKZSZIISV-UHFFFAOYSA-N 288.391 3.904 30 20 CHED CC#CCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 542672554 RTOVZIRUSDJTGR-UHFFFAOYSA-N 292.791 3.540 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCCC2(CCCC2)C1 549638380 PLANLTFLVOVQCE-UHFFFAOYSA-N 288.439 3.577 30 20 CHED C=CCNC(=O)[C@H](C)SCC[C@@H]1CCC[C@H](C)C1 465460062 STFUGWZBDABVLZ-IHRRRGAJSA-N 269.454 3.627 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H]1CCc2ccc(Cl)cc21 541271166 JZVHAMPQJPXXSP-XHDPSFHLSA-N 262.784 3.809 30 20 CHED CN(Cc1cc(F)ccc1C#N)[C@@H]1CCc2ccccc2C1 468800413 BZVACRNRTNYCAF-LJQANCHMSA-N 294.373 3.687 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc2oc(C)c(C)c2c1 274892835 KFRWRAHDRPCMLP-UHFFFAOYSA-N 285.347 3.817 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C(=O)CC)cc1 628691148 BMARXBCJJWXYSY-UHFFFAOYSA-N 271.360 3.986 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 464758058 OQAXYGSDLKDCMP-KBPBESRZSA-N 260.381 3.580 30 20 CHED C=C[C@](C)(CC)c1nc(COCc2ccccc2)no1 289076303 ZWXQENWMQKYNQN-MRXNPFEDSA-N 272.348 3.640 30 20 CHED CCC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 464838193 NGLULAMHYNYJAW-KRWDZBQOSA-N 256.393 3.960 30 20 CHED C=CCCC(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F 287998949 BKSCXIKDGPJKLP-JTQLQIEISA-N 287.281 3.921 30 20 CHED C=CCN(C(=O)c1ccc2c(C)cc(O)nc2c1)C(C)(C)C 622945383 BNKDXCLIFZRTPO-UHFFFAOYSA-N 298.386 3.676 30 20 CHED Cc1ccc2c(C(=O)N[C@H](C#N)C(C)(C)C)csc2c1 464712570 PMQCJTNDJROPMS-CQSZACIVSA-N 286.400 3.878 30 20 CHED C=CC[C@H](CC)NC(=O)c1[nH]c2ccccc2c1Cl 281843726 XNXOAPAGCIJLNR-JTQLQIEISA-N 276.767 3.906 30 20 CHED CC(C)CCN(CCC#N)C(=O)Cc1ccc(Cl)s1 283687290 TXKIXKFUKZFLSF-UHFFFAOYSA-N 298.839 3.732 30 20 CHED CC(C)(C)CCCCNC(=O)c1ccc(F)c(C#N)c1 551122905 BUAUKIGDPHGSBP-UHFFFAOYSA-N 276.355 3.644 30 20 CHED C[C@@H]1C[C@H]1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 464400562 CDGUJDBBPNRTOI-ZJUUUORDSA-N 276.405 3.902 30 20 CHED N#CC1(CCCN[C@H](c2ccccc2)C2CC2)CCOCC1 281891041 DUIBCMJWKPBFDT-GOSISDBHSA-N 298.430 3.828 30 20 CHED C=CCCO[C@H](C)C(=O)N(CCC)CCc1cccs1 463551141 HZDWYZGCPQLTQV-CQSZACIVSA-N 295.448 3.510 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 465100750 CPTWZJNTUSKTEN-VHSXEESVSA-N 286.202 3.863 30 20 CHED N#CCCCOc1cccc(NCCCCF)c1 285098112 IKSRQINQQRJPIM-UHFFFAOYSA-N 250.317 3.531 30 20 CHED COc1cc(CN[C@H](C)c2ccc(F)c(C)c2)ccc1C#N 281648779 JPRDBXFFKUGYOK-CYBMUJFWSA-N 298.361 3.865 30 20 CHED CCC1CC(NCCSCc2ccccc2C#N)C1 551789101 KYRCDMVAEGNNAR-UHFFFAOYSA-N 274.433 3.570 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@]1(C)CCc2ccccc2C1 466546769 ZFUOBELDCLVVNO-AEFFLSMTSA-N 271.404 3.653 30 20 CHED C[C@H](NCC1CCC(C#N)CC1)c1ccc(Cl)nc1 282240036 JAPOVGGTXUBYSV-HIFPTAJRSA-N 277.799 3.716 30 20 CHED N#Cc1ccc(CNCc2cccc(Cl)c2F)s1 553514280 LEWVNTVCLSUHDY-UHFFFAOYSA-N 280.755 3.702 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc2sccc2c1 638479986 MHHOYLUPWOJQGT-UHFFFAOYSA-N 274.389 3.619 30 20 CHED C=CCCCCNC(=O)[C@H](c1ccccc1)C1CC1 471669977 XSVVVNBUSOCCRB-MRXNPFEDSA-N 257.377 3.653 30 20 CHED C=CCCCCCCNC(=O)[C@H](C)c1c(C)noc1C 805218391 ZQMIFEKXOZUVFB-GFCCVEGCSA-N 278.396 3.648 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H](C)Cc1ccc(O)cc1 293676468 QZNOTNVRYUOHSW-KGLIPLIRSA-N 296.370 3.726 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)c2cccnc2)s1 297896187 WHBXLNGRVLMMEO-UHFFFAOYSA-N 285.372 3.565 30 20 CHED COc1ccccc1N=C1NN=C(CC(C)(C)C)CS1 806548535 GFLKZNQAMVRYTF-UHFFFAOYSA-N 291.420 3.811 30 20 CHED C#C[C@H](NC(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 801545119 ZPPIYAUWDSHZJJ-OALUTQOASA-N 291.394 3.546 30 20 CHED C=CCCCCNC(=O)N(CC(C)C)C1CCCC1 474082746 UFPUNHVFBAKGTC-UHFFFAOYSA-N 266.429 3.953 30 20 CHED CCOc1ccc(/C=N/CCCC(C)(C)COC)c(O)c1 806551772 WORSPSVEBACKBO-LDADJPATSA-N 293.407 3.663 30 20 CHED CC#CC(=O)Nc1ccccc1OCc1cccc(Cl)c1 801159822 WMQIYDBEJSOFTK-UHFFFAOYSA-N 299.757 3.881 30 20 CHED C=C(C)CNc1cnn(-c2ccc(Cl)cc2)c1C 809202833 YRYQJUIXJSGHFN-UHFFFAOYSA-N 261.756 3.822 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)CCCC#N 291969082 SKZRNIJBTWXPJS-UHFFFAOYSA-N 270.254 3.646 30 20 CHED C#Cc1ccc(CNCCOCc2ccc(Cl)cc2)cc1 809629206 HXGGTSBJXBRXEI-UHFFFAOYSA-N 299.801 3.628 30 20 CHED N#Cc1nccnc1N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 563320496 PRIARPSXNAYRLU-OCCSQVGLSA-N 298.777 3.750 30 20 CHED CC1(C)C(=NN[C@H]2CCSC2)C[C@@H]1c1ccccc1 808002197 WJKWDFPTCZPOSD-UONOGXRCSA-N 274.433 3.651 30 20 CHED CC(C)(C)Sc1ccc(NC(=O)CC#N)cc1F 297004285 SNLBYUHHJCWIEY-UHFFFAOYSA-N 266.341 3.568 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@@H]2CC2(F)F)c(C#N)s1 297948501 VYWCRDIZBAIZKB-ZETCQYMHSA-N 284.331 3.511 30 20 CHED C#CCN(C(=O)NCC(=C)c1ccccc1)C1CCCCC1 807580654 APYLYOVVAJGYCI-UHFFFAOYSA-N 296.414 3.677 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(CCC)CC1 561156586 BGEMTCRUFJQTPN-OAHLLOKOSA-N 252.446 3.585 30 20 CHED C=CCOCCCN[C@@H](C)[C@@H](OC)c1ccccc1Cl 470774371 SLOBYHAWICROIG-XJKSGUPXSA-N 297.826 3.598 30 20 CHED N#C[C@@]1(C(=O)Nc2cccc3cccnc23)CC12CCCC2 297859576 OGJHWEQYXRFJFJ-GOSISDBHSA-N 291.354 3.647 30 20 CHED CC[C@H]1[C@@H](C)CCN1c1ncc(Cl)c(C)c1C#N 475735329 SBIADCNJLCWLBZ-ZANVPECISA-N 263.772 3.540 30 20 CHED C=C(C)CN(C)C(=O)C1(c2ccccc2Cl)CCC1 649910533 UYYFWVXVIAIKBJ-UHFFFAOYSA-N 277.795 3.796 30 20 CHED C[C@H]1C[C@H]1[C@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1 801938028 BYSGUHKRISCRTB-UAXWRAGISA-N 292.810 3.555 30 20 CHED Cc1nc(N2CC[C@H](c3ccccc3)[C@@H](C)C2)ccc1C#N 488048715 KQHJLXNKQPNSMI-KSSFIOAISA-N 291.398 3.892 30 20 CHED C=C(C)Cn1c(CC)nnc1N1C[C@H](C)c2ccccc21 563489649 DTEAMUJFOQCFRX-ZDUSSCGKSA-N 282.391 3.672 30 20 CHED Cc1cc(C)cc(NN=Cc2ncc(Cl)s2)c1 814752976 BVITUTRVHCMUEX-UHFFFAOYSA-N 265.769 3.859 30 20 CHED Cc1c(C=NNc2cc(Cl)ccn2)n(C)c2ccccc12 814897728 CQPBSIVGLXJFMM-UHFFFAOYSA-N 298.777 3.981 30 20 CHED COc1ccc(NN=C2COc3c(Cl)cccc32)cc1 814884994 IDVJMHZBGBBJCA-UHFFFAOYSA-N 288.734 3.557 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(C#N)c(C)c1 488286347 OWOOHCCURPBEJN-UHFFFAOYSA-N 280.371 3.690 30 20 CHED C=CCC(F)(F)C(=O)OCCSCc1ccccc1 815314625 AJHODZXNXJRVHA-UHFFFAOYSA-N 286.343 3.674 30 20 CHED C#CC[C@@H](NCC1Cc2ccccc2C1)c1ccccc1 811485516 OAWWFTACOCWACK-HXUWFJFHSA-N 275.395 3.756 30 20 CHED COc1ccc(CCNN=C2CCCC23CCCC3)cc1 814855963 ZAVOFDRFJUZKJQ-UHFFFAOYSA-N 286.419 3.928 30 20 CHED N#Cc1cccnc1Oc1cc(C=O)cc(C(F)(F)F)c1 811859767 AKYKFPKPHRIZRH-UHFFFAOYSA-N 292.216 3.577 30 20 CHED C=CCCn1cc(CN(C2CC2)[C@@H](C)c2ccccc2)nn1 653574954 ZVVIFCXUAVIMAZ-HNNXBMFYSA-N 296.418 3.580 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1ccc(C#N)s1 487786862 SNEPHUYFHCGVLD-UHFFFAOYSA-N 278.421 3.907 30 20 CHED Cc1cc(C=NNc2ccc(F)c(F)c2F)c(C)o1 814945957 YMWYFBCKLLSLHM-UHFFFAOYSA-N 268.238 3.760 30 20 CHED C=CCCCCCCCN1C(=O)[C@@H](C)N(CCC)C1=O 811841496 JALJNHSDQNYIPI-CQSZACIVSA-N 280.412 3.576 30 20 CHED COc1cc(F)cc(NN=Cc2ccc3[nH]ccc3c2)c1 811644968 SLYHDTUUEBSWQW-UHFFFAOYSA-N 283.306 3.762 30 20 CHED CC[C@H](NC(=O)N1CCC(CCC#N)CC1)c1ccccc1 574514382 CQOYGTMCPFGGLM-KRWDZBQOSA-N 299.418 3.863 30 20 CHED CC#CCN(C)C(=O)/C=C(/C)c1ccccc1C(F)(F)F 819249077 CCGOADQUWGSMDE-QXMHVHEDSA-N 295.304 3.590 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(-c2ccccc2)o1 486326072 YFZQONYWMSYBRR-UHFFFAOYSA-N 284.359 3.664 30 20 CHED C=C(Cl)CNC(=O)C1(c2ccccc2C)CCCC1 813457952 QAHMIULIPRBHHF-UHFFFAOYSA-N 277.795 3.676 30 20 CHED C#CCCOc1ccc(CNc2cc(C)n(C(C)C)n2)cc1 817710491 PFNFMSPHQQZQTI-UHFFFAOYSA-N 297.402 3.787 30 20 CHED CCC(=NOC/C=C\Cl)c1ccc(OC)cc1 811672113 QDRICEVVJHMCNI-VXSAHUIBSA-N 253.729 3.578 30 20 CHED CCCCc1nc(C[S@@](=O)CCC(C)(C)C#N)cs1 570020260 LMGKIASPRWNADI-IBGZPJMESA-N 298.477 3.674 30 20 CHED C(=NOCCC1CC1)c1cccc(OCc2ccccn2)c1 814244913 FKOKYJVGQAHYMI-UHFFFAOYSA-N 296.370 3.811 30 20 CHED CSCCCC=NNc1ncnc2sc(C)c(C)c12 814726322 QCZMFQZSRCTCNQ-UHFFFAOYSA-N 294.449 3.849 30 20 CHED CCCc1nc(C)c(CNc2snc(Cl)c2C#N)o1 813635924 KLNXJRQWCIQSKK-UHFFFAOYSA-N 296.783 3.529 30 20 CHED CCC(C=NNc1nc(O)c2ccccc2n1)(CC)CC 814869005 QAKLCYRZBBNDNN-UHFFFAOYSA-N 286.379 3.950 30 20 CHED COc1ccccc1/C(C)=C\C(=O)Oc1ccc(C#N)cc1 727291551 SAZHVRBQAMSIQC-QBFSEMIESA-N 293.322 3.576 30 20 CHED N#Cc1ccc(-c2ccn(Cc3ccccc3F)n2)cc1 728152429 LEUYIUHCYWFKJP-UHFFFAOYSA-N 277.302 3.609 30 20 CHED COc1ccc2[nH]c3c(c2c1)CC(=NOC1CCC1)CC3 812235595 YWAJOBPXIXNXDQ-UHFFFAOYSA-N 284.359 3.590 30 20 CHED C=C(C)COc1cccc(NC(=S)N[C@H](C)CC)c1 727282615 CKSBYXDCZMDQMN-GFCCVEGCSA-N 278.421 3.726 30 20 CHED C=CCC1(NC(=O)N2CCc3ccccc32)CCCC1 657190471 SRLAXJXNAVOHSB-UHFFFAOYSA-N 270.376 3.648 30 20 CHED Cc1ccc(C#N)c(NCc2ncc(-c3ccccc3)o2)n1 576180975 ZMKATGXJKUPTLE-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CC1=C(C)C[C@@H](C(=O)OCc2cccc(C#N)c2)CC1 829793733 KRAGBWHNEDBYQH-INIZCTEOSA-N 269.344 3.738 30 20 CHED N#C[C@]1(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC12CCCC2 571199436 UUIRGVYJYVJCSN-DAYGRLMNSA-N 286.419 3.545 30 20 CHED C=CCN(C(=O)c1ccc(C)c(Cl)c1)C(C)C 728465860 QMBZMWKWISFQTH-UHFFFAOYSA-N 251.757 3.685 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 588164683 BHIPDUUYXYFEPH-QZTJIDSGSA-N 298.430 3.988 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc3oncc3c2)cn1 821038713 LCOHDFHGHGFGSZ-HYXAFXHYSA-N 281.315 3.501 30 20 CHED Cc1ccc(NN=C2CCC(c3ccccc3)CC2)nn1 729936516 UAWXPKOBSIJIRK-UHFFFAOYSA-N 280.375 3.911 30 20 CHED CC#CCSc1ccc(C#N)c(C(F)(F)F)c1 499504274 PZTVXYXYIBFYNZ-UHFFFAOYSA-N 255.264 3.692 30 20 CHED N#Cc1cc(NCCc2c[nH]c3cc(Cl)ccc23)ccn1 587553694 ZCRLXJSVDCGJTC-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C=C1CCN(C(=O)C(F)(F)c2cccc(Cl)c2)CC1 731052058 DGOBPLVYEMNUGH-UHFFFAOYSA-N 285.721 3.610 30 20 CHED N#CC1(CCCCOC(=O)c2conc2C2CC2)CCC1 909331386 PNKDYAXOXGYBLS-UHFFFAOYSA-N 288.347 3.573 30 20 CHED Cc1coc(SCCCCC2(C#N)CCC2)n1 901535635 IZVPRGHADOUJIA-UHFFFAOYSA-N 250.367 3.939 30 20 CHED C=C(C)C[C@H](NC/C=C/c1cc(C)c(C)cc1C)C(=O)O 901682638 VUIPGVHEGCPFCM-LXXRFIIISA-N 287.403 3.634 30 20 CHED C[C@@]1(C(=O)OCc2cccc(C#N)c2)CCc2ccccc21 830265330 VDSGEDKJJANRRI-LJQANCHMSA-N 291.350 3.506 30 20 CHED C=CCOC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 730638992 ZZLYREQQHQQNDV-SECBINFHSA-N 273.159 3.901 30 20 CHED CC(C)(C)C#CC(=O)Nc1ncc(Cc2ccccc2)s1 837349426 KLTFMHIRUBEUOR-UHFFFAOYSA-N 298.411 3.722 30 20 CHED CCC(=NNc1ccc(C)nn1)c1ccc(Cl)s1 733204155 JXOJJEQTBNABKD-UHFFFAOYSA-N 280.784 3.726 30 20 CHED CC(=NNc1cc(Cl)ccc1C)c1cn(C)nc1C 901318178 QMJFUEOWTCHPFA-UHFFFAOYSA-N 276.771 3.526 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CCC[C@H]1CCC)c1ccccn1 835131915 HBZWHPZNRGODBA-VYDXJSESSA-N 285.387 3.906 30 20 CHED CN(C)c1ccc(C=NNc2c(F)cccc2F)cc1F 735615063 KHEMWVVCPMFLBU-UHFFFAOYSA-N 293.292 3.616 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccccc1O[C@H](C)C#N 839322099 RORRZJDUOXRNBE-ZIAGYGMSSA-N 288.391 3.988 30 20 CHED C=CCOc1cccc(CNC[C@@H]2COc3ccccc32)c1 582986902 HWKWMINRQJBFGQ-MRXNPFEDSA-N 295.382 3.517 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1nccc2ccccc12 903034711 BJFNZFAIQVSBMJ-ZDUSSCGKSA-N 265.360 3.579 30 20 CHED CCCCS[C@H](C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839048117 LEJCSBDUYQEPMC-JHJVBQTASA-N 269.410 3.534 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(Cn2cccn2)c1 675150402 QYXQSJPQOLTBGQ-UHFFFAOYSA-N 295.386 3.638 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(N(C)CC)cc2)c1 834904355 XGQKOQZTOAKTJA-INIZCTEOSA-N 292.426 3.975 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc(Cl)s1 833783839 XKRCGBSOSJUAGX-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NNc1ccccc1 915933322 SYRRSMFAVBDTQK-UHFFFAOYSA-N 276.771 3.643 30 20 CHED N#CCCCCN1CCC2(CCc3ccccc3O2)CC1 595828105 JBOMJIWQHHUMMG-UHFFFAOYSA-N 284.403 3.540 30 20 CHED N#CC1(c2ccccc2-c2ccc(N3CCCC3)nc2)CC1 592987041 OCHSXLLMTSNJRD-UHFFFAOYSA-N 289.382 3.904 30 20 CHED C=CCCSCCNC(=O)C[C@H](C=C)c1ccccc1 597969390 YXQKKGKXWFITFN-HNNXBMFYSA-N 289.444 3.772 30 20 CHED CCC[C@H](C(=O)N[C@@H](C)CC#N)c1ccc(Cl)cc1 596994331 FHYCZTNZHTZCMD-FZMZJTMJSA-N 278.783 3.642 30 20 CHED C=C(CNC(=O)N(C)C(C)(C)CC)c1ccccc1 672423749 UAACECDPEGPARA-UHFFFAOYSA-N 260.381 3.530 30 20 CHED CC(=NNc1ccccn1)c1ccc(C(F)(F)F)cc1 915944570 SSPDWLNTTABNLH-UHFFFAOYSA-N 279.265 3.937 30 20 CHED COCc1cccc(/C=C2\Cc3c(C)cccc3C2=O)c1 742434811 NUVDDFKECWNVSS-MHWRWJLKSA-N 278.351 3.964 30 20 CHED C#CCCCCCC(=O)N1CCn2c(Cl)ccc2[C@H]1C 848087547 KABJANWBZUMWST-CYBMUJFWSA-N 292.810 3.628 30 20 CHED C=C(CNC(=O)N[C@H](C)CCc1ccco1)c1ccccc1 672686143 RVNZGVBCOOCQPT-OAHLLOKOSA-N 298.386 3.613 30 20 CHED CC(C)c1cccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 597567482 CRFSVWBJLHQUDG-MRXNPFEDSA-N 284.403 3.964 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)c1ccc2ccccc2n1 741464099 LXOFTFWOOAIQDA-UHFFFAOYSA-N 298.349 3.651 30 20 CHED Clc1ccc2c(c1)CCC2=NNc1nccnc1Cl 743440245 FPYHWELFVFDRCD-UHFFFAOYSA-N 293.157 3.546 30 20 CHED N#Cc1cc(N2CC3(CCC3)[C@H]2c2ccccc2)ccn1 912169131 SFCXPMIVPOYTKY-QGZVFWFLSA-N 275.355 3.685 30 20 CHED CCCCCCCC(=O)N1CC[C@H](CN(CC)CC)C1 742866643 YBPSNSXRUHXSCO-MRXNPFEDSA-N 282.472 3.537 30 20 CHED CCCOc1ccc(N=Cc2cccc(O)c2O)c(C)c1 917558028 KYXKTOKDNCCEDN-UHFFFAOYSA-N 285.343 3.946 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1NCc1ccccc1 677893282 VWAMTGHRBGGHPQ-HNNXBMFYSA-N 294.398 3.993 30 20 CHED C=CCOC(=O)c1ccccc1NCc1ccccc1 744928146 GARODIAMJRBLFL-UHFFFAOYSA-N 267.328 3.642 30 20 CHED C=C(Cl)COc1cc(C)nc2ccc(OC)cc12 914685732 PGGZJCNBIAFWFB-UHFFFAOYSA-N 263.724 3.683 30 20 CHED N#Cc1ccc(N(C(=O)[C@]23CCC[C@@H]2C3)C2CCC2)cc1 598886895 YBJCXWLIZPUJRZ-KDOFPFPSSA-N 280.371 3.634 30 20 CHED Clc1ccc(NN=Cc2ccnc3ccccc23)cn1 743449653 BWTWMOFTJAOXRW-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CCCC(=NNCc1ccccc1)c1cccc([N+](=O)[O-])c1 916345253 WSTHMIDTBRYPCO-UHFFFAOYSA-N 297.358 3.889 30 20 CHED Cc1ccc(NC(=S)N2CCC[C@H](CC#N)C2)cc1C 849272049 ZYNMXONYEQXVFM-CQSZACIVSA-N 287.432 3.626 30 20 CHED CC(C)CCOc1ccc(/C=C/C(=O)c2ncccn2)cc1 840721580 CWQPVAULFPROAI-RMKNXTFCSA-N 296.370 3.798 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c(C)nn(C)c1Cl 743448716 BONSFSNUYDQBAR-LLVKDONJSA-N 284.835 3.664 30 20 CHED Cc1cc(C#N)ccc1COC(=O)Cc1ccc(Cl)cc1 748922435 QMUDCXFVZFZYTB-UHFFFAOYSA-N 299.757 3.806 30 20 CHED Cc1nsc(N(C)C(=O)c2ccc(C(C)C)cc2)c1C#N 748227200 YUSBRCQUQFOKDS-UHFFFAOYSA-N 299.399 3.723 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)Nc1cnn(CC#N)c1 742602623 ZDIUEPGZXHSBBD-MRXNPFEDSA-N 290.411 3.732 30 20 CHED Cc1cc(C#N)ccc1NCc1ccnc(OC(C)C)c1 846752323 HIYXARIBFBYQNI-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C=C(C)CONC(=O)Nc1ccc(CSCC)cc1 844698098 NQDAIYZXHUIVAY-UHFFFAOYSA-N 280.393 3.569 30 20 CHED CCCCCCCC(=O)N(C)c1c(C)noc1C 746012980 YIUPPCMQXOLQHS-UHFFFAOYSA-N 252.358 3.615 30 20 CHED C=C1CC(c2noc([C@@H](C)c3ccccc3C)n2)C1 924122345 FDWWHKRDCCKHJI-LBPRGKRZSA-N 254.333 3.963 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)Cc1cccs1 684774159 RTAJYZVDHNKZTK-FMKPAKJESA-N 279.449 3.640 30 20 CHED C=C[C@@H](OC(=O)c1ccc(C(F)F)nc1)C(C)(C)C 847704532 VFKGNDUDVRQJFZ-LLVKDONJSA-N 269.291 3.777 30 20 CHED C=C(C)CCN[C@@H](C)c1nc(Br)ccc1F 926521924 VNSHJHYVRTWSKV-VIFPVBQESA-N 287.176 3.600 30 20 CHED COc1ccc(CN(CCC#N)Cc2ccco2)c(C)c1 752857652 SGQVYMBOWAZXIV-UHFFFAOYSA-N 284.359 3.513 30 20 CHED COC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 926312307 KQDWRVYHHQDHJU-DOMZBBRYSA-N 294.826 3.945 30 20 CHED C(=NOCc1cccnc1)c1nc(-c2ccccc2)cs1 755800383 AQCXZXOSKYTXSX-UHFFFAOYSA-N 295.367 3.756 30 20 CHED Cc1ccc(F)cc1C(=O)OC[C@H](C#N)Cc1ccccc1 750786897 LHKPFSSMNQLNRF-HNNXBMFYSA-N 297.329 3.673 30 20 CHED C#CCCCCNC(=O)N(C)C/C(C)=C/c1ccccc1 755272053 WJXGDXSUECRKPP-JQIJEIRASA-N 284.403 3.535 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1[nH]c(-c2ccccc2)nc1C 683883965 QWNGBXCEIYPCIR-HNNXBMFYSA-N 295.386 3.566 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1cccc(C)c1)OCC 756562941 RXMXWCBLGGMBCW-ZBFHGGJFSA-N 276.376 3.971 30 20 CHED CCC#C[C@@H](C)N1CCO[C@H](c2cccc(Cl)c2)C1 681032301 MJXNCTHKXWFGNC-CJNGLKHVSA-N 277.795 3.515 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccccc1)OCC 756475586 CUQUCJASNVTSMD-DZGCQCFKSA-N 262.349 3.662 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(Cl)nc2Cl)C1 852319479 NQDANJKXFONBJA-JTQLQIEISA-N 284.190 3.514 30 20 CHED Cc1cc(/C=C2/COc3c(F)cccc3C2=O)cc(C)c1O 921266355 OLCPUNSCABPCRT-JYRVWZFOSA-N 298.313 3.807 30 20 CHED Cc1cc(COC(=O)C[C@@H](CC#N)c2ccccc2)ccn1 856935406 UQXWORCJJNLQBW-QGZVFWFLSA-N 294.354 3.521 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@@H]1CCC[C@H](OC)C1 851300134 LDNWXPQZTNCYRU-KGLIPLIRSA-N 268.397 3.727 30 20 CHED C=C[C@H](OC(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1 851452794 WQDJGICFZPXRAG-OLZOCXBDSA-N 266.287 3.892 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1cnn(C)c1 920826772 HAJBTFSDGXBROW-UHFFFAOYSA-N 283.162 3.563 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccccc1C#N 856272985 QMOTTYCGOFKNCQ-PTCTWJCLSA-N 282.387 3.751 30 20 CHED C#CC[C@H](NC(=O)Cc1cc(C)ccc1C)c1ccccc1 757599804 VYSPKYIRRNADES-IBGZPJMESA-N 291.394 3.727 30 20 CHED Fc1cc(Br)ccc1CON=CC1CC1 853736483 CQCNORCJVYKZDP-UHFFFAOYSA-N 272.117 3.501 30 20 CHED CCCCCCCNC(=O)N(C)[C@H](C)c1cccnc1 858111923 YQYCBGKAVRAEGJ-CQSZACIVSA-N 277.412 3.754 30 20 CHED C=C[C@@H](OC(=O)[C@@H](CC(C)C)OC)c1ccccc1 851451703 KYIPIYHBSPWOSI-HUUCEWRRSA-N 262.349 3.518 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(C)c(C)c1O 756683521 RHYZKFMOJRLRTD-ZDUSSCGKSA-N 265.422 3.579 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC=C(c2ccccc2)C1 935884265 WUVMSWGRDOCNRK-HNNXBMFYSA-N 269.388 3.905 30 20 CHED Clc1ccc(Cl)c(NN=Cc2cscn2)c1 751895485 LXMPEVYSHSRORI-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CSc1ccc2c(c1)CCCC2=NO[C@H]1CCCCO1 755825651 ZRWHABDEOIQYQF-INIZCTEOSA-N 291.416 3.992 30 20 CHED C(=NNc1nc2ccccc2[nH]1)[C@H]1C[C@@H]1c1ccccc1 755489310 UABDSPZAVJIWSV-ZIAGYGMSSA-N 276.343 3.764 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1SC(F)(F)F 757012370 JXNAGSNNZCLFBG-MRVPVSSYSA-N 275.295 3.603 30 20 CHED C1=C[C@H]2C[C@H]1C[C@H]2C=NNc1ccc2ccccc2n1 864372385 PIKCKXLIFCIVRA-QEJZJMRPSA-N 263.344 3.845 30 20 CHED C=C1CCN(C(=O)Nc2ccc(F)cc2OCCC)CC1 930386199 FCKAQDGVBIZHBR-UHFFFAOYSA-N 292.354 3.798 30 20 CHED C#CCCN(Cc1cccc(Cl)c1)CC(F)(F)F 767899710 LFKHACVGHSXQBM-UHFFFAOYSA-N 275.701 3.728 30 20 CHED C#CCCCN[C@H](c1ccccc1)c1cccc(F)c1 766727116 XRSCFNUAWHTTBH-GOSISDBHSA-N 267.347 3.918 30 20 CHED Cc1ccc(C[C@H](NCc2ccc(C#N)cc2)C2CC2)cc1 765014162 KJKSAQQXIFTVGX-FQEVSTJZSA-N 290.410 3.978 30 20 CHED CC1(C)CN(Cc2ccc(OCC#N)cc2)CC(C)(C)C1 767919709 WXDOAEBXMNCFDC-UHFFFAOYSA-N 286.419 3.847 30 20 CHED Cn1cc(NN=C2CCC[C@@H]2c2ccccc2Cl)cn1 761866603 JEGLOLRBYSSMFW-CYBMUJFWSA-N 288.782 3.809 30 20 CHED CON=Cc1cccc(NC(=O)c2ccccc2Cl)c1 767477993 MSUUATZTHABDHN-UHFFFAOYSA-N 288.734 3.573 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(Cl)nc2Cl)c1 761485602 HQMRGGTXQLAHKN-RQOWECAXSA-N 293.153 3.988 30 20 CHED CC(C)N(CCSCc1ccccc1C#N)C(C)C 762204405 YJUXDPFKPRELGP-UHFFFAOYSA-N 276.449 3.910 30 20 CHED C#CCCCCC(=O)Nc1ccccc1N(C)CCC 863574615 BNYFDLJMBIYCDL-UHFFFAOYSA-N 272.392 3.665 30 20 CHED C=CCCCCN[C@@H](C)c1cc(F)cc(F)c1O 769990578 URQNXQNQXQYCHH-JTQLQIEISA-N 255.308 3.677 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1ccccc1F 768390447 AHNMEOPUZWCXSK-UHFFFAOYSA-N 277.339 3.631 30 20 CHED Clc1cncc(NN=CCC[C@H]2C[C@H]3CC[C@H]2C3)n1 768774365 SZWNWLUQHOPKOG-WOPDTQHZSA-N 278.787 3.744 30 20 CHED CCC[C@H](C)c1noc([C@H](C)Oc2ccc(C#N)cc2)n1 761850656 USJOGXDXNNIQQD-RYUDHWBXSA-N 285.347 3.985 30 20 CHED Fc1ccc(CC=NNC2CCCC2)c(Cl)c1 766445950 BGEQMNARWACVSR-UHFFFAOYSA-N 254.736 3.540 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1F 777919043 QEMWRGJFJPLVNU-HYXAFXHYSA-N 291.303 4.000 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(C#N)c(F)c1 776766377 QGZVSZZGXGWTQB-UHFFFAOYSA-N 271.270 3.673 30 20 CHED C=C[C@@](C)(CC)c1nc(C(C)(C)c2ccncc2)no1 871856186 JRPGGTIBJZPDMC-INIZCTEOSA-N 271.364 3.644 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(C2CC2)cc1 771553326 NYAIBXDRDQNXHE-AWEZNQCLSA-N 284.403 3.565 30 20 CHED C#CCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 776852159 PWJVFKDEJPXOMC-KZNAEPCWSA-N 253.389 3.668 30 20 CHED N#CCc1ccc(COC(=O)C=C(C2CC2)C2CC2)cc1 776112016 CAKUSZXYNOOBTH-UHFFFAOYSA-N 281.355 3.542 30 20 CHED CC(=NOC1CCOCC1)c1cc(Cl)sc1Cl 774429831 DYTOGKNNJHSRKF-UHFFFAOYSA-N 294.203 3.975 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)OCCC(C)(C)C#N 776373975 UQEBPGZJIPXLGX-UHFFFAOYSA-N 284.359 3.502 30 20 CHED CCOc1cccc(C=Nc2cccc(C)c2F)c1O 775630074 JIYROMBPGPCSSR-UHFFFAOYSA-N 273.307 3.989 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)CC#Cc1ccccc1 1116269593 VMORTWDCWWSUSW-ZWKOTPCHSA-N 283.415 3.903 30 20 CHED COc1ccc(C#N)cc1CSc1nc(C)c(C)s1 771905689 JPXMGLFKOXURPH-UHFFFAOYSA-N 290.413 3.933 30 20 CHED C=C(Cl)CN1CCC[C@H]1c1ccccc1OC 69610798 YJKOHIWZWLJKSQ-ZDUSSCGKSA-N 251.757 3.585 30 20 CHED Cc1cc(C#N)ccc1CON=Cc1ccccc1F 776742040 BYQVHUQEIAGSEV-UHFFFAOYSA-N 268.291 3.557 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H]1C[C@@]1(C)C(C)C 773973899 VCTJPEMTBIRJQU-DYVFJYSZSA-N 287.359 3.545 30 20 CHED C#CCCCCCC(=O)Nc1sc(CCC)nc1C 777033026 GUAHYMYSGUDNGB-UHFFFAOYSA-N 278.421 3.926 30 20 CHED C#C[C@H](NC(=O)Nc1cc2[nH]ccc2cc1C)C(C)(C)C 879311137 SSCXGEYZSDFESY-HNNXBMFYSA-N 283.375 3.646 30 20 CHED CC(=NN=c1cc[nH]cc1)c1ccc(SC(F)F)cc1 779809368 XPXBNEYFGJENBJ-UHFFFAOYSA-N 293.342 3.654 30 20 CHED CCn1c(C(=O)OC2(CC#N)CCC2)cc2ccccc21 1122963870 JHZXSNUKLLFKAT-UHFFFAOYSA-N 282.343 3.654 30 20 CHED C#CCOc1ccc([C@H](C)Nc2ccc3c(c2)CCO3)cc1 777038423 OVYMTVSWCXMMKQ-AWEZNQCLSA-N 293.366 3.807 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc2c(c1)CCN2C 776192555 RHRTZWARFUYKMN-FNORWQNLSA-N 292.382 3.532 30 20 CHED CC(=NOC[C@H]1CCOC1)c1ccc(CC(C)C)cc1 788030434 NVIICKLIAQZDOQ-INIZCTEOSA-N 275.392 3.662 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1c(F)cccc1Cl 780240474 CYRJTYKPTROCQI-UHFFFAOYSA-N 290.725 3.947 30 20 CHED C=C(C)CCC(=O)N1CCC(OCC2CCCCC2)CC1 1120703178 OGCSLMIPTONTSU-UHFFFAOYSA-N 293.451 3.931 30 20 CHED C#CC[C@H](NC(=O)c1csc(Cl)c1)c1ccccc1 786201209 HFJCYBDPPIATQB-ZDUSSCGKSA-N 289.787 3.896 30 20 CHED CC(=NNc1ccc(Br)cc1C)[C@@H]1CCCO1 783846392 NKCAUZIBRPTZTR-ZDUSSCGKSA-N 297.196 3.724 30 20 CHED C=CCCN(C)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 787361913 CMAVVSYABCPSRB-UHFFFAOYSA-N 270.376 3.939 30 20 CHED CC(C)(C#N)CCCOC(=O)C1(C)CCCCC1 784838909 UFNIQQQZEIASEJ-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C=C[C@H]1CCCCN1c1ccnc2cc(OC)ccc12 784676807 POPSXWLKJMPDEL-ZDUSSCGKSA-N 268.360 3.788 30 20 CHED C(C[C@H]1CCCCC12OCCO2)=NOC1CCCCC1 788725721 JVORSCSNOJLCBC-CQSZACIVSA-N 281.396 3.645 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)cc2F)cc(Cl)n1 788715755 RLTFFBOCVMHMFT-UHFFFAOYSA-N 299.683 3.907 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc2ccccc2[nH]1 781869321 QVDADABGVGVVGG-UHFFFAOYSA-N 270.332 3.655 30 20 CHED C=CCCCCCOC(=O)c1ccncc1Cl 783946417 FGPWQHKDBUPNDM-UHFFFAOYSA-N 253.729 3.638 30 20 CHED Cc1cc(C)c(NC(=O)[C@H](CC#N)c2ccccc2)cc1O 1138069911 RFKYLQOGQWLQBC-OAHLLOKOSA-N 294.354 3.645 30 20 CHED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)C1CCC(F)(F)CC1 788725605 KGODEGYCNXRDIT-FPMFFAJLSA-N 270.367 3.966 30 20 CHED CC1(C)[C@H](c2ccccc2)C[C@H]1NCc1ccc(C#N)cn1 783295118 ZSTBERSLZUUBOZ-ZWKOTPCHSA-N 291.398 3.625 30 20 CHED CC(=NNC1CCCCC1)c1ccc(C#N)cc1Cl 788438335 ABCZJNUMGHBVDC-UHFFFAOYSA-N 275.783 3.858 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1csc(C(C)C)n1 780249126 FWEXRRJQEWOJSE-GFCCVEGCSA-N 295.452 3.538 30 20 CHED N#Cc1cccn2cc(-c3cccc(Br)c3)nc12 95831271 XRAUIXYLEGSCLA-UHFFFAOYSA-N 298.143 3.635 30 20 CHED Clc1cncc(NN=CCC2CCCCCC2)n1 799108954 QBKJNYOXGWPLMW-UHFFFAOYSA-N 266.776 3.888 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc(Cl)cc2)c1 720268363 NSGDATWJVNVKJQ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H](F)CC2CCCCC2)C1 793515388 MUFPWHOKDSSKNB-UNEWFSDZSA-N 294.414 3.884 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1cccc(C#N)c1 796328392 JZIOTRDPIBLZDJ-INIZCTEOSA-N 259.349 3.818 30 20 CHED COc1ccc(CNN=C2CCC[C@@H]2c2ccccn2)cc1 794895583 FMVIKXGVFZAUFQ-MRXNPFEDSA-N 295.386 3.504 30 20 CHED CC(C)c1nc(CNCC(C)(C)CCC#N)cs1 705573583 BXRXSFIUPQAFHX-UHFFFAOYSA-N 265.426 3.686 30 20 CHED C=CCNN=C(C)c1ccc(SC(F)F)c(OC)c1 794993733 GFOOUSHZMAUFCM-UHFFFAOYSA-N 286.347 3.510 30 20 CHED N#Cc1ccc(COc2ccc(C#N)c(Cl)c2)c(F)c1 190270767 GCGKQBIZZFIWAH-UHFFFAOYSA-N 286.693 3.801 30 20 CHED N#CC[C@H]1CCCN(CC2CCC(C(F)(F)F)CC2)C1 595620740 PQBKOSHBYDIYAS-IYXRBSQSSA-N 288.357 3.981 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1ccc(C)cc1O 794799255 ZYGMFTXRRBFAAW-QGZVFWFLSA-N 280.371 3.813 30 20 CHED CCc1ccc(N(CC(C)C)C(=O)c2ccc(C#N)[nH]2)cc1 794126897 KXOPJAIRTPASFQ-UHFFFAOYSA-N 295.386 3.752 30 20 CHED Fc1ccc(/C=C\C=NNc2ccc3[nH]ncc3c2)cc1F 794928270 USJVJXAJLJSIDE-YZHSZULSSA-N 298.296 3.952 30 20 CHED N#Cc1ccc(C(=O)Oc2cccc3ccccc23)o1 796712173 KHYBHBGHVMIBPI-UHFFFAOYSA-N 263.252 3.524 30 20 CHED CC(C)[C@@H]1CCCC(=NNc2nc(O)c3ccccc3n2)C1 794517635 RBLRGHQFRFXUPK-GFCCVEGCSA-N 298.390 3.950 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(C(=O)N2CCCC2)cc1 798081761 WHDSJTCVLILRDM-GJZGRUSLSA-N 286.419 3.935 30 20 CHED CC[C@H](C)[C@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 1167355892 DLSGVTDNUBQEND-GJZGRUSLSA-N 286.419 3.836 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(O)c(C)c1 1318681766 QMEUVGNQIKWVTQ-UHFFFAOYSA-N 298.390 3.624 30 20 CHED CCSC1(CNc2nc(C(C)(C)C)ccc2C#N)CC1 1612640182 KOPXFWNCCRGEJR-UHFFFAOYSA-N 289.448 3.948 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2ccc(OCC#N)cc2)CS1 1326304850 HQWAHJNGVMCIIR-UKRRQHHQSA-N 290.432 3.921 30 20 CHED N#Cc1cccc(Br)c1NCc1cccs1 1654869947 DCXPCYBLCWBYNA-UHFFFAOYSA-N 293.189 3.994 30 20 CHED Cc1nc(CON=Cc2ccccc2C)c(C)s1 1320124642 ZIIMYSQEAVCHDE-UHFFFAOYSA-N 260.362 3.619 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)OCCCSCC#N 1328720589 ASMDDFZKYQBADQ-ZDUSSCGKSA-N 283.437 3.783 30 20 CHED CCc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)s1 1324182477 FMJKLNQUROJWPZ-UHFFFAOYSA-N 281.340 3.899 30 20 CHED C=CCCCc1nnc(-c2ccc3ccccc3n2)o1 1329239376 TXYCDXOEYVRWCT-UHFFFAOYSA-N 265.316 3.794 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(-c2cccs2)s1 1320021926 CUNYLRGYZNADCB-UHFFFAOYSA-N 275.398 3.618 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cc2cccc(OC)c2o1 1320629297 HALOBOGHIQXQEI-QGZVFWFLSA-N 287.359 3.660 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc2cnccc2c1 1187654828 RVGMWQQWMPGJJT-UHFFFAOYSA-N 271.279 3.770 30 20 CHED CC(=NOC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 1254352061 GZUDMHBJSUVDPC-MRXNPFEDSA-N 274.408 3.700 30 20 CHED C=C(C)CCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1 1321963301 JRHONGDUJARVMT-UHFFFAOYSA-N 284.311 3.882 30 20 CHED CS[C@H]1CC[C@H](N(C)CC#Cc2cccc(Cl)c2)C1 1253399222 UJBYMXBHLJMDHS-HOTGVXAUSA-N 293.863 3.907 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(F)cc1OCC 1331304110 QEXRSOPXEXNILT-UHFFFAOYSA-N 265.328 3.765 30 20 CHED Cc1cc(C[S@@](=O)CCCC(C)(C)C#N)cs1 1332059857 DMFLNAQUVUHXKQ-KRWDZBQOSA-N 269.435 3.635 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1c1cccc(CC#N)n1 1334305082 XNSIHQKYFNWPKO-CRAIPNDOSA-N 291.398 3.920 30 20 CHED C#C[C@H](NC(=O)c1cc(C)n(C2CC2)c1C)c1ccccc1 1261499781 VAIWGEHQHZNHHL-SFHVURJKSA-N 292.382 3.544 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cncc(C(F)(F)F)c1 1347866979 LSDIZJRAAIVJGU-GFCCVEGCSA-N 299.296 3.673 30 20 CHED C[C@H]1CC[C@H](C(=O)O[C@H](CC#N)c2ccco2)CC1 1347949158 RMXJTTDYTXNKLD-YRGRVCCFSA-N 261.321 3.604 30 20 CHED CCSc1ccc(Cl)cc1C(=O)N(C)[C@H](C)CC#N 1355146128 XLLMRRQWYKGDBP-SNVBAGLBSA-N 296.823 3.826 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1436351497 MCCYBMNPPMYIRX-RISCZKNCSA-N 290.794 3.768 30 20 CHED Cc1c(C#N)cccc1NC(=O)C12CCC(CC1)CC2 1355857935 NPIQCHFWVZDYPG-UHFFFAOYSA-N 268.360 3.776 30 20 CHED Cc1ccnc(N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1C#N 1458178548 MZVTXAUSZILGBM-ZDUSSCGKSA-N 299.805 3.983 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)[C@H](CC#N)c1ccccc1 1523113068 YIEOIRSGMIGJMF-JKSUJKDBSA-N 284.403 3.626 30 20 CHED CN(c1ncc(C#N)cc1F)[C@H]1CCC[C@H]1c1ccccc1 1458428822 VDBMMALDKPMRDQ-RDJZCZTQSA-N 295.361 3.865 30 20 CHED N#Cc1cccc(CN2CCC3(CCCC3)CC2)c1F 223544121 FSKYWFWKXDHYGI-UHFFFAOYSA-N 272.367 3.854 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1sccc1C#N 1528587302 ROQUUKXBTBMABY-JSGCOSHPSA-N 290.432 3.956 30 20 CHED Cc1nc(C#N)cc(NC[C@@H](Cc2ccccc2)C(C)C)n1 1458326627 GMUQKMAOXCWPQX-MRXNPFEDSA-N 294.402 3.584 30 20 CHED CC1(C)C(Nc2snc(Cl)c2C#N)C1(C)C 1458231004 OVTDANCQWKRZKN-UHFFFAOYSA-N 255.774 3.515 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1cc(C#N)ccc1F 1460785212 CXBKQUXYJZDMHB-UHFFFAOYSA-N 262.328 3.708 30 20 CHED O=C(O)c1coc(C=NNc2cccc3ccccc23)c1 1602553161 CKZMWUQNMCBSRW-UHFFFAOYSA-N 280.283 3.577 30 20 CHED O=C(/C=C\c1ccoc1C(=O)O)c1csc(Cl)c1 1608287575 CNBLCWGRALZBEW-UPHRSURJSA-N 282.704 3.589 30 20 CHED C=C(Cl)CNCc1ccc(-c2ccncc2)cc1F 1461234340 YWILKSFKKFPLDN-UHFFFAOYSA-N 276.742 3.730 30 20 CHED CSc1ccc(CNCc2ccc(C#N)c(Cl)c2)o1 1474125629 RLFQUXINIHBTQR-UHFFFAOYSA-N 292.791 3.816 30 20 CHED C[C@H](CC#N)N[C@@H]1CCCC[C@@H](c2ccccc2)C1 1474251075 QWKJDNCBEFYLFQ-DJIMGWMZSA-N 256.393 3.995 30 20 CHED N#Cc1ccc(F)c(CNc2cc(F)ccc2F)c1 20045064 AEJFHDYFFAKZOR-UHFFFAOYSA-N 262.234 3.588 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cccs1 32110657 OPPPRPUCUVTWJD-VOTSOKGWSA-N 258.342 3.961 30 20 CHED CCCC[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(OC)cc1 1639433732 CYNMFNXSYMBFPP-SFHVURJKSA-N 295.386 3.727 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CCC[C@H](C)C1 1652159090 UCZOPQZFQQNFAI-JSGCOSHPSA-N 258.365 3.948 30 20 CHED C=CCCOCCNCc1c(Cl)oc2ccccc12 230348398 XECCZKMWADQLOG-UHFFFAOYSA-N 279.767 3.769 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2cccc(C#N)c2)c1 122245044 QTQAJNVNQZMZCY-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Cc1ccc(C#N)c(NCC2(c3ccc(F)cc3)CCC2)n1 1651465430 SJOBRXDTWXEZHQ-UHFFFAOYSA-N 295.361 3.935 30 20 CHED C=CCCC[C@H](NCCCC(=O)O)c1ccccc1 1588459015 ZKFZVVHYCQGEIC-HNNXBMFYSA-N 261.365 3.538 30 20 CHED C[C@@H]1CC[C@H](CNc2ncc(C#N)cc2Br)C1 1651033102 QZTLXMAYKRGCMX-ZJUUUORDSA-N 294.196 3.564 30 20 CHED Cc1nc(NC[C@]2(C)CCCc3ccccc32)ccc1C#N 1651707950 ITGITNARUHBLSZ-IBGZPJMESA-N 291.398 3.968 30 20 CHED C=C(Br)CN1CCCCc2sccc21 1653444981 KTRCFCZWFRDDOR-UHFFFAOYSA-N 272.211 3.799 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)c2c1CCC2 1583076051 SVIAEIHLHOQYEJ-UHFFFAOYSA-N 294.329 3.747 30 20 CHED CC1(C(=O)Nc2ccc(CC#N)cc2)CCCCC1 122843777 MELUKRFTSWJXGI-UHFFFAOYSA-N 256.349 3.662 30 20 CHED CC[C@H]1CCN(C(=O)Nc2cccc(C#N)c2C)[C@H]1C 1669819999 JPCYHEJGUMEFAZ-STQMWFEESA-N 271.364 3.519 30 20 CHED C=C(CNC(=O)N[C@@H]1CCCC[C@@H]1CC)c1ccccc1 1674611286 BYVOQIQOYWYDCP-DOTOQJQBSA-N 286.419 3.968 30 20 CHED C[C@@H]1/C(=C\c2ccc(CC(=O)O)cc2)C(=O)c2ccccc21 1777407987 PCXOYQARQVFVBC-VAKHEIKFSA-N 292.334 3.697 30 20 CHED C=CC[C@H](C)NCc1cc(Cl)c2c(c1)OCCCO2 134750118 GTUKPKXXPQBSQP-NSHDSACASA-N 281.783 3.556 30 20 CHED CCCC1(CNC(=O)c2ccc(C#N)c(Cl)c2)CC1 158761042 FWNWKGQRKPETSZ-UHFFFAOYSA-N 276.767 3.522 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@H]2CC[C@@H](C)C2)s1 160480217 NIPAIPYSGADTSW-MNOVXSKESA-N 276.405 3.947 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)cc1 205685618 OZRXHROPWWXXSQ-FLIBITNWSA-N 299.333 3.640 30 20 CHED N#Cc1cccnc1N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 156689661 XYGJCIFXNWXQAR-GXFFZTMASA-N 287.725 3.714 30 20 CHED C[C@@H](Sc1ccc([N+](=O)[O-])cn1)c1ccc(C#N)cc1 159673632 RNKFGIYJSUAJPH-SNVBAGLBSA-N 285.328 3.715 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)NC(C)(C)C#N)cc1 159523378 WVJIEXOPRFLPPH-CYBMUJFWSA-N 272.392 3.722 30 20 CHED Cc1cc(OCCOc2ccc(C#N)cc2)ccc1Cl 11863156 MCMGBDABLMJACR-UHFFFAOYSA-N 287.746 3.978 30 20 CHED Cc1ccccc1N(C)Cc1ccc(F)c(C#N)c1 234322278 XRKNGLCJZXOCDJ-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C=C(C)COCCNCc1ccc2ccccc2c1 125799597 IADXYZUZYQNIDJ-UHFFFAOYSA-N 255.361 3.522 30 20 CHED C#CCCOC(=O)N(C)[C@H](C)c1cc2ccccc2o1 858892053 KLCQRPFLVPZODU-GFCCVEGCSA-N 271.316 3.586 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)cc2C)c(C)o1 165263418 OZNMVODXYJMZCI-CYBMUJFWSA-N 268.360 3.927 30 20 CHED N#Cc1sc(NC[C@@H]2CCC(F)(F)C2)nc1Cl 287575071 DHXZHIQTGLHZPR-ZCFIWIBFSA-N 277.727 3.515 30 20 CHED N#Cc1ccc(Sc2ccc(Cl)c(Cl)c2)nn1 302006092 TYWMXEFNIANLKW-UHFFFAOYSA-N 282.155 3.806 30 20 CHED C#CCCCCN[C@H]1CCc2ccc(Br)cc21 310306970 RSQJHTSPKUUGMN-HNNXBMFYSA-N 292.220 3.830 30 20 CHED C[C@H](C#N)OCCOc1ccc(-c2ccccc2)cc1 312324867 HVKRHHXLLNZFOF-CQSZACIVSA-N 267.328 3.661 30 20 CHED CCCCCCCNCc1nn(C)c2ccccc12 703745500 YXHGQPWKMZNLPN-UHFFFAOYSA-N 259.397 3.633 30 20 CHED C=C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 382562278 WYMSQJCVHLFUCJ-UHFFFAOYSA-N 286.762 3.680 30 20 CHED CC[C@@H](Nc1cccc(OCC#N)c1)C1CCCC1 387587602 RNSCKDOVSIJDOT-MRXNPFEDSA-N 258.365 3.970 30 20 CHED C=CCCOC(=O)CSc1ccccc1Cl 729073384 VTCJPXCVUZJGQU-UHFFFAOYSA-N 256.754 3.551 30 20 CHED CC1CCC(=NNC(=S)N[C@H]2CCCC[C@@H]2C)CC1 7994257 ALKMHFDZBQGHOV-WGIUUAEBSA-N 281.469 3.595 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(F)c(Cl)c1 410123714 HQZYBUKHZGPWLT-SNVBAGLBSA-N 255.720 3.564 30 20 CHED N#Cc1cc(F)c(NCCC2CC(F)(F)C2)c(F)c1 413337591 INPBDYUVHDKGNU-UHFFFAOYSA-N 272.245 3.684 30 20 CHED Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)s1 50225352 FCJITAABGUVOQG-GFCCVEGCSA-N 256.374 3.779 30 20 CHED N#Cc1cc(F)c(N2CC[C@@H](c3ccccc3)C2)c(F)c1 111144282 UPNCALKNEMOVMO-CQSZACIVSA-N 284.309 3.830 30 20 CHED C#CCCCCC(=O)NCC(C)(C)c1cccc(C)c1 119752523 QWMXLZNPJZJFEH-UHFFFAOYSA-N 271.404 3.582 30 20 CHED CC(C)[C@@H](CCc1ccccc1)NCCCCC#N 178647954 XISMZVZTIZXBEY-QGZVFWFLSA-N 258.409 3.927 30 20 CHED CC(C)(CCC#N)CNCc1cnc(C(C)(C)C)s1 342299419 MDFQTWRLMBZEMM-UHFFFAOYSA-N 279.453 3.860 30 20 CHED C=CCN(CCc1ccccc1)Cc1nccn1C(C)C 170958528 WSDQLSCLPKVYBT-UHFFFAOYSA-N 283.419 3.695 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C 66416444 AQDTVRDRPGDMGH-XJKSGUPXSA-N 270.376 3.599 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(CCCCC#N)C1 174045547 GTDPVOLALSJLDE-BBRMVZONSA-N 260.356 3.902 30 20 CHED CCCCCCNC(=O)Nc1cccc(C#N)c1C 178562783 WCZJCRCPGCZABN-UHFFFAOYSA-N 259.353 3.569 30 20 CHED C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 173925100 LOFIIFKBZXZSDZ-RLFYNMQTSA-N 286.419 3.804 30 20 CHED C#Cc1cccc(N(C)C(=O)c2coc3ccccc23)c1 113048783 OADHKCDEFFIVEV-UHFFFAOYSA-N 275.307 3.691 30 20 CHED CCCC[C@@H](CC)C(=O)N(CCC#N)CC(C)(C)C 463765578 BPQIYBNCHATVKE-CQSZACIVSA-N 266.429 3.991 30 20 CHED CCOC(=O)[C@H](CC)S[C@H](C#N)C1CCCCC1 177348514 KZZRKALKDYRTRZ-QWHCGFSZSA-N 269.410 3.534 30 20 CHED CC[C@@H](Nc1cccc(C#N)n1)c1ccc(C)cc1 301344843 HMJWXNGDEXJQSG-OAHLLOKOSA-N 251.333 3.825 30 20 CHED N#Cc1ccc2nc(NC[C@H]3CC=CCC3)ccc2c1 301991176 YCTPMVDAQJSTPN-ZDUSSCGKSA-N 263.344 3.875 30 20 CHED C=CCCCCCCNCc1c(C)nn(C)c1Cl 310841365 BDXZWPSUZLVXHH-UHFFFAOYSA-N 269.820 3.608 30 20 CHED Cc1ccccc1C/N=C(\N)Nc1ccc(OC(C)C)cc1 303784465 PCPNGLNBTYVUGR-UHFFFAOYSA-N 297.402 3.709 30 20 CHED CCSc1ccccc1OC(=O)c1ccc(C#N)c(C)n1 172258451 HJAQWGIFHQBZGY-UHFFFAOYSA-N 298.367 3.593 30 20 CHED CCCCCCCCC(=O)NC[C@@H](O)c1ccccc1C 303506541 NFPKHTWAWZHNAE-QGZVFWFLSA-N 291.435 3.895 30 20 CHED N#C[C@H](NC(=O)c1ccoc1)c1cccc(Cl)c1Cl 66394681 DXDHTDAHZBDEEY-NSHDSACASA-N 295.125 3.581 30 20 CHED C[C@@H]1CCCCN1CCCCNCC(C)(C)CCC#N 174272606 AOZFWHDLGWTIRM-MRXNPFEDSA-N 279.472 3.561 30 20 CHED C=CCCCC(=O)Nc1cccc(COC(C)C)c1 175442107 PTTXMGZIJZWUIS-UHFFFAOYSA-N 261.365 3.906 30 20 CHED Cc1ccc(CNc2nc(C)c(C#N)cc2Cl)s1 311115994 NNNPCRJULHMXOT-UHFFFAOYSA-N 277.780 3.897 30 20 CHED N#Cc1ccnc(SCc2ncc(-c3cccs3)o2)c1 67429396 KZPJOUSEJSHEKH-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CC1 174900705 AASZQCMCMNZSIM-CABCVRRESA-N 286.419 3.786 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]c(C)cc1C 121070676 VCDJZVRDBHMMFY-UHFFFAOYSA-N 295.386 3.556 30 20 CHED N#Cc1cnc2ccccc2c1NCc1cccc(F)c1 37413213 VSBQFOALJLHUSM-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C=C(C)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 302538737 SDQFJHDIPADTGJ-UHFFFAOYSA-N 269.304 3.645 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccc(N(C)C)cc1 32159175 SNFXFGHRGYPCIJ-DHZHZOJOSA-N 295.382 3.966 30 20 CHED CCOc1cc(Cl)ccc1CN[C@H]1CCC[C@H](C#N)C1 185866029 JOVRUYQFTANSRT-WFASDCNBSA-N 292.810 3.911 30 20 CHED CC[C@@H](c1ccncc1)N(C)CCCC(C)(C)C#N 119821117 PAVYREBXWGQZDO-HNNXBMFYSA-N 259.397 3.794 30 20 CHED COc1ccc(OC(F)F)c(N[C@@H]2CCC[C@H](C#N)C2)c1 185738393 QHYIOPWUPKSLET-WDEREUQCSA-N 296.317 3.791 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@@H](C)C[C@H](C)O)c2c1 78298952 VZMZJGZWKBYLHI-JSGCOSHPSA-N 297.402 3.542 30 20 CHED CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 185547677 CNKNRXPUEGUREW-LSDHHAIUSA-N 270.376 3.718 30 20 CHED N#CCCCCNC(=O)c1cc2c(s1)CCCCCC2 171509470 JDDNKHLPZWGQGE-UHFFFAOYSA-N 290.432 3.831 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 411008434 SMOFIFAHHOZERN-JTQLQIEISA-N 276.405 3.729 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(OCCCC#N)c1 183225552 WNVFKWHCXUHSJN-ZIAGYGMSSA-N 288.391 3.990 30 20 CHED CC1(C)C[C@H](Nc2cc(Cl)ccc2C#N)CCO1 70349838 BPKOJSHOHIVGCX-GFCCVEGCSA-N 264.756 3.581 30 20 CHED C=CCN(CC=C)Cc1ccc2c(c1)COC(C)(C)O2 186249608 KIBDGPALPBIDEU-UHFFFAOYSA-N 273.376 3.506 30 20 CHED C=C1CCN(C/C(C)=C\c2ccccc2COC)CC1 508248060 KVEGECXUOYMUIX-VBKFSLOCSA-N 271.404 3.888 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)CC(C)(C)OC)c1ccccc1 188263352 VWYZQZRMRIVKSK-ZBFHGGJFSA-N 289.419 3.666 30 20 CHED CCOc1cc(Cl)ccc1CN[C@@H]1CCC[C@H](C#N)C1 185866010 JOVRUYQFTANSRT-SWLSCSKDSA-N 292.810 3.911 30 20 CHED C=C(C)COc1cc(CN[C@@H]2CC=CCC2)ccc1OC 76771258 SHMNWNQEQYISPW-MRXNPFEDSA-N 287.403 3.848 30 20 CHED CC(C)C[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 127745254 JUHZCFJYDAKAKP-OAHLLOKOSA-N 273.424 3.561 30 20 CHED CCN(C[C@@H]1CCC(C)(C)O1)[C@@H](C)c1ccc(C#N)cc1 184651337 YUOWKNAGNAXTHI-YOEHRIQHSA-N 286.419 3.899 30 20 CHED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)co1 189048064 MMDPQKHJUVVGBN-UHFFFAOYSA-N 282.343 3.511 30 20 CHED C=CCC[C@@H](CC)N[C@@H](CCC(C)(C)C)C(=O)O 414657415 LRWUUTPRYOOYJD-OLZOCXBDSA-N 255.402 3.600 30 20 CHED Cc1ccc(C#N)cc1NCc1cnc(C(C)(C)C)nc1 313872309 KGAUUXIJSBGGEJ-UHFFFAOYSA-N 280.375 3.566 30 20 CHED CN(Cc1cccc(C#N)c1)CC1(c2ccccc2)CC1 189292688 BTOFRPUGMVCPMN-UHFFFAOYSA-N 276.383 3.722 30 20 CHED Cn1cc(CNc2ccc3oc(C4CC4)nc3c2)cc1C#N 189582895 UIBBIKIHVGVCTB-UHFFFAOYSA-N 292.342 3.527 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(Br)s1 157229978 FLTDQJRPWFPZEK-SFYZADRCSA-N 260.200 3.736 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(OCC#N)cc1 213640990 ZNQYWRBVVASBRE-FLIBITNWSA-N 277.323 3.794 30 20 CHED C[C@@H](CCNC(=O)Cc1ccc(C#N)cc1)CC(C)(C)C 188866107 JUTFJBDWRFMIIJ-AWEZNQCLSA-N 286.419 3.679 30 20 CHED C=CCC[C@@H](NC(=O)C[C@H]1CCCCO1)c1ccccc1 133797807 ZXAXIPKHMKNMAS-IAGOWNOFSA-N 287.403 3.769 30 20 CHED CCCCCCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 183944607 MOMJPCAXBZPWKX-SFHVURJKSA-N 284.403 3.524 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C/c1ccccc1C#N 189920092 PUCDEXXIDHUDRF-ZHACJKMWSA-N 295.386 3.502 30 20 CHED C=C(C)CN(C)Cc1cc(Cl)c(OCC)c(OC)c1 181051001 FUJAPNURFMWRKI-UHFFFAOYSA-N 283.799 3.755 30 20 CHED CC1(C)[C@H](NCCC2(C#N)CCCCC2)[C@H]2CCCO[C@H]21 411791794 HWANFIYFLNFFME-BZUAXINKSA-N 290.451 3.644 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)c1cccs1 187528279 PTFRWURKZBZALA-LBPRGKRZSA-N 278.421 3.782 30 20 CHED Cc1cc(CCCC(=O)OCC2(C#N)CCC2)c(C)s1 183862512 CFIXXKILFWTXNA-UHFFFAOYSA-N 291.416 3.925 30 20 CHED Cc1cccc(SCCC(=O)Nc2ccccc2C#N)c1 40696083 NLASJQGDUUEOOT-UHFFFAOYSA-N 296.395 3.988 30 20 CHED C=C(C)CN(C)Cc1nc2cc(Br)ccc2o1 509024242 UXSYCRMSYBUNHY-UHFFFAOYSA-N 295.180 3.598 30 20 CHED N#Cc1cccc(NCc2cnc(C3CCC3)s2)c1 132885666 DOIHHJGTIXVICH-UHFFFAOYSA-N 269.373 3.894 30 20 CHED CC(C)Oc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1C#N 131006420 VAGJALBQTGGGJP-CYBMUJFWSA-N 284.359 3.640 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC 412843591 SHQTUPALGNQWTE-GOEBONIOSA-N 259.393 3.726 30 20 CHED C[C@@H]1Cc2ccccc2N1C(=O)c1cc(C#N)ccc1Cl 505964956 FYSRICJJYNSLFY-LLVKDONJSA-N 296.757 3.803 30 20 CHED CC(C)(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 49750469 HEIUWKWOVATBNP-UHFFFAOYSA-N 278.355 3.766 30 20 CHED CCCN(Cc1cc(C#N)ccc1Br)C1CC1 191783093 BZTKZWGHPMGPQS-UHFFFAOYSA-N 293.208 3.695 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(OC(F)F)c1 190636762 QTVBROWGGIDNJP-CQSZACIVSA-N 269.291 3.829 30 20 CHED CC(C)N(Cc1cc(C#N)ccc1Br)C1CC1 191776127 YPBLGIWXWWEIAE-UHFFFAOYSA-N 293.208 3.694 30 20 CHED C#C[C@@H](CC)NC1CC(c2ccc(Br)cc2)C1 229894146 RGMGEACJYLLKAL-BLZCZZARSA-N 292.220 3.697 30 20 CHED CC(C)N(CCC#N)Cc1cccc(Br)c1 42324967 ULLPMXXEUNHKKC-UHFFFAOYSA-N 281.197 3.573 30 20 CHED CC(C)c1scnc1N=C(O)[C@@H]1CCC(=O)[C@H](C)C1 329578003 KLTVDAIEEITBAO-NXEZZACHSA-N 280.393 3.860 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 425119909 AJDKKPVZRKBUSU-BODMPHMZSA-N 296.414 3.904 30 20 CHED CC#CCCCC(=O)N(C)c1ccc(OC(C)C)cc1 191604717 BIOJZGSYKLZKEF-UHFFFAOYSA-N 273.376 3.630 30 20 CHED Cc1noc([C@H](C)/N=C(/O)C[C@H]2CCc3ccccc3C2)n1 329253377 WBSMNCXPSBMENT-AAEUAGOBSA-N 299.374 3.591 30 20 CHED N#Cc1ccc(F)cc1CN1CCCc2sccc2C1 610728711 JMHDSQDHNYKCAB-UHFFFAOYSA-N 286.375 3.707 30 20 CHED O=C1CC[C@H](/C(O)=N/C2CCCCCC2)n2cccc21 329875419 GMLGDYZCAXVBQO-CQSZACIVSA-N 274.364 3.685 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 48579051 FZBJHLTYLMHVOO-DAFODLJHSA-N 295.266 3.831 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC(C(C)C)C(C)C 610901190 QTKCDUIEKOQXSM-UHFFFAOYSA-N 273.380 3.669 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2ccc(Cl)s2)C1 193812648 DFGHRGJEUSTYPF-YGRLFVJLSA-N 296.823 3.533 30 20 CHED C#C[C@H](NCc1ccc(SC)s1)C(C)(C)C 381544758 JRZZYLYDFBRRFE-NSHDSACASA-N 253.436 3.608 30 20 CHED C=C[C@](C)(CC)C(=O)N(CC)Cc1ccccc1C 190180466 FONVMWNXBLWAOD-QGZVFWFLSA-N 259.393 3.946 30 20 CHED CCCC(CCC)C(=O)NC1(C#N)CCCCC1 227964531 HHIHXCQZJZPZOT-UHFFFAOYSA-N 250.386 3.545 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)C1CCC(C)(C)CC1 337968105 LTZURZKJQOEGLF-UHFFFAOYSA-N 284.403 3.908 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 336583567 IEMWPJBJOPHROD-UHFFFAOYSA-N 289.338 3.612 30 20 CHED CC(C)(C)Oc1ccc(CNc2ccc(C#N)cn2)cc1 140030256 WEXAOIXAYVDHDQ-UHFFFAOYSA-N 281.359 3.743 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CS1 421347598 CSCKMVHDWKZYGC-MFKMUULPSA-N 280.462 3.630 30 20 CHED CCOc1cc(/C(O)=N/[C@@H]2CCC[C@@H]2C)cc(Cl)c1O 330378636 KANBJIUMAMTZCF-JOYOIKCWSA-N 297.782 3.938 30 20 CHED C=C(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 512370897 ZDQWUJUKVNPWCB-UHFFFAOYSA-N 288.372 3.989 30 20 CHED CC(C)(C)CCCCNC(=O)NCC#Cc1ccccc1 510904834 BXLHTIPSRJZJOF-UHFFFAOYSA-N 286.419 3.554 30 20 CHED N#Cc1cc(Nc2ccc(COC3CCCC3)cc2)ncn1 515466626 RBPWCRDVSYLYTO-UHFFFAOYSA-N 294.358 3.551 30 20 CHED CC(C)Sc1ccccc1C(=O)N[C@H]1CCC[C@@H]1C#N 334043584 JSSILFZTWJKFSR-OCCSQVGLSA-N 288.416 3.609 30 20 CHED OC(=Nc1cccc(-c2cnco2)c1)[C@@H]1CCCN1C1CC1 330251205 HLMYWNJVKLRXHM-HNNXBMFYSA-N 297.358 3.556 30 20 CHED C=CCC[C@H](NC[C@H](C)c1c(C)noc1C)C1CC1 90762805 GNIAHEQUSAAWPY-NHYWBVRUSA-N 262.397 3.729 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N(C)Cc1c(Cl)cccc1Cl 336248575 NVQCXCPOHXWHMO-XPTSAGLGSA-N 297.185 3.502 30 20 CHED N#CCCN(CC1CC1)C(=O)c1cc(F)c2ccccc2c1 339929031 KQMAXAFWOYEBAG-UHFFFAOYSA-N 296.345 3.745 30 20 CHED C=CCOCCSCc1ccc(SC)cc1 338566415 HXMVXQMSMQNYLD-UHFFFAOYSA-N 254.420 3.844 30 20 CHED CO[C@@H](C/N=C(/O)c1scnc1C(C)C)C(C)(C)C 331332124 SEPNKENDLHPEMD-JTQLQIEISA-N 284.425 3.632 30 20 CHED CCCCOc1ccc(CN(CC#N)CCC)cc1 92398359 ZUADKRKKBUZKQR-UHFFFAOYSA-N 260.381 3.601 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(CC#N)cc1 334281544 SQCXYHHXDGTFSM-UHFFFAOYSA-N 298.773 3.991 30 20 CHED CC(C)(CCC#N)CN1CCS[C@H]2CCCC[C@H]21 245711996 GEAGYXPVCNLHIT-KGLIPLIRSA-N 266.454 3.676 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C 432734277 QMHOGQSVXPFJQD-UHFFFAOYSA-N 291.351 3.627 30 20 CHED N#Cc1cc2c(nc1N1CCCC3(CCCCC3)C1)CCC2 521964186 XXGNYIMZXMFANW-UHFFFAOYSA-N 295.430 3.993 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1nc(C)c(C)o1 348543668 LOFJPUDDDZISQV-UHFFFAOYSA-N 299.374 3.902 30 20 CHED Cc1ccc(F)cc1NCC#Cc1ccc(F)cc1 433430754 NJJFQWLUDMFWAC-UHFFFAOYSA-N 257.283 3.737 30 20 CHED C=C1CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 342202821 KWIMAXAFSRNQGD-UHFFFAOYSA-N 287.794 3.678 30 20 CHED CC(C)(CNCc1cccc(C#N)c1)Oc1ccccc1 522283567 QBHOFBWKLQPKBM-UHFFFAOYSA-N 280.371 3.505 30 20 CHED C[C@@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H]1C 245974304 WONCIMWNRZZADF-BFYDXBDKSA-N 299.418 3.861 30 20 CHED C[C@@H](OC(=O)/C=C\c1ccc(Cl)cc1)C(C)(C)C#N 255871221 IWQLQDGGDPVVDB-DHHDDZJSSA-N 277.751 3.835 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2ccc(F)cc2F)cn1 255423842 VYLUYLBJLDAFFU-UTCJRWHESA-N 276.286 3.638 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)NCC(C)(C)CCC#N 348209221 XCMCYEXQQXYAEV-ZBFHGGJFSA-N 274.408 3.682 30 20 CHED Cc1ccc(CN(c2ccc(C#N)cc2[N+](=O)[O-])C2CC2)o1 609585655 PSRLINBXOQBZIZ-UHFFFAOYSA-N 297.314 3.537 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc(F)c(F)c1F 348157780 REMLATGXAQOGSH-UHFFFAOYSA-N 299.296 3.555 30 20 CHED CN(C(=O)/C=C\c1ccccc1C#N)c1cc(F)ccc1F 255769293 HOBVTHBJSPBBCC-TWGQIWQCSA-N 298.292 3.513 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)cc1 255437478 PVMWDWAGUCXAAO-UTCJRWHESA-N 287.240 3.872 30 20 CHED C=C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 342107760 RCRUZJGQUYOYMB-UHFFFAOYSA-N 281.355 3.641 30 20 CHED C[C@H](CC(=O)NCC(C)(C)CCC#N)c1ccccc1 345913047 ROBKPMBXPMORMS-CQSZACIVSA-N 272.392 3.626 30 20 CHED C[C@H](C#N)C(=O)NCC1(c2ccccc2)CCCCCC1 522995843 MTTNXVVIRYRVNB-OAHLLOKOSA-N 284.403 3.554 30 20 CHED Cc1ccc2c(Cl)c(C(=O)NC(C)(C)C#N)sc2c1 609201276 YJUXNQAPFTWKCS-UHFFFAOYSA-N 292.791 3.895 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1Cc2ccccc21 607046468 PUJAEEJKMAYRPK-LJQANCHMSA-N 291.394 3.584 30 20 CHED CCC(C#N)(CC)c1nc([C@@H](C)c2cccs2)no1 528133573 UOEIMVVQIIFUOQ-JTQLQIEISA-N 275.377 3.864 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 255059806 HPYLAFDMAZCFLV-UQTJOTSZSA-N 277.323 3.874 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CC(C)(C)CC 342363810 DIHWYLDKMLAXFM-UHFFFAOYSA-N 293.407 3.503 30 20 CHED C=CCCC(=O)N1C[C@H](CC)Oc2c(Cl)cccc21 343661298 JZBCPXXMCBYAKZ-NSHDSACASA-N 279.767 3.810 30 20 CHED Cc1ccc(SC[C@H](C)NCc2cccc(C#N)n2)cc1 602620096 UMCLXWMSCSZHNL-AWEZNQCLSA-N 297.427 3.532 30 20 CHED Cc1cc(CN(C)Cc2ccc(C#N)cc2F)ccc1F 444729119 FZTINIMBGDOOIS-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2cc(F)cc(F)c2)no1 355925696 BUEPGMMHYHJJAW-SNVBAGLBSA-N 294.301 3.592 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@@H]1CCC(C)(C)C1 358093585 WEQZHICTKZUVFO-OAHLLOKOSA-N 281.440 3.787 30 20 CHED COc1ccccc1[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccco1 442841732 ASHRDUGMLKYKAR-GLJUWKHASA-N 296.370 3.659 30 20 CHED Cc1cnc([C@H](C)SCc2ccc(F)cc2C#N)o1 356071371 NAWOXULPJICEAU-JTQLQIEISA-N 276.336 3.988 30 20 CHED C=CCCC(=O)NC[C@@H](CC)Oc1cccc(Cl)c1 440624409 IWDKJJBLJXICLH-CYBMUJFWSA-N 281.783 3.580 30 20 CHED C=CC[C@H](C)NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 604881084 RZGYAZOENANORH-CAOSSQGBSA-N 281.440 3.545 30 20 CHED Cc1ccc2c(c1)N(c1ncc(C#N)cc1Cl)CC2 609630936 RUUOECNFNSUUGU-UHFFFAOYSA-N 269.735 3.609 30 20 CHED C=CCCOCCNC(=O)Nc1cc(C)c(Cl)c(C)c1 442436875 JTJWMDIXEFACCE-UHFFFAOYSA-N 296.798 3.671 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)C(C)C)cc1 265085000 YJBNRCJDPIKYQR-AWEZNQCLSA-N 258.365 3.534 30 20 CHED Cc1cnc([C@@H](C)CN[C@@H]2CCc3ccc(C#N)cc32)s1 353661970 YYWTWONDMSZKSQ-MEDUHNTESA-N 297.427 3.704 30 20 CHED C=CCC[C@H](O)CN(C1CC1)[C@@H](C)c1ccccc1 352837463 FJJRQARJXJBERX-YOEHRIQHSA-N 259.393 3.539 30 20 CHED Cc1ccc(CC(=O)NC2(C#N)CCCCC2)c(Cl)c1 532391854 ONYQFZYVKKHXSG-UHFFFAOYSA-N 290.794 3.534 30 20 CHED COc1cc(Cl)c(C)cc1N[C@@H]1CC[C@H](C#N)C1 442863422 CWLOSZODURWBMI-WDEREUQCSA-N 264.756 3.761 30 20 CHED COc1ccccc1[C@@H](C)[S@](=O)CCCC(C)(C)C#N 266990619 UIQSYIXYDANAGU-ZUOKHONESA-N 293.432 3.835 30 20 CHED Cc1cccc2c1CC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 613254423 KFRIPLUTMCSDAQ-ZQIUZPCESA-N 254.377 3.654 30 20 CHED C=CCC1(C(=O)N(C)Cc2csc(C)n2)CCCCC1 448811167 PTQUFBDZUMTZPQ-UHFFFAOYSA-N 292.448 3.937 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2sccc2CC)C1 617785400 JXXAKMIKLSPBRY-GFCCVEGCSA-N 263.406 3.739 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc2ccccc2n1CC#N 611326525 JUMUUZSURHJDOQ-UKRRQHHQSA-N 295.386 3.568 30 20 CHED Cc1cccc2c(N(C)CCC(C)C)c(C#N)cnc12 610273638 DVRZFTVPSOOOSW-UHFFFAOYSA-N 267.376 3.897 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc3ncccc3c2)no1 356129483 CCCMPAJNANQYMH-GFCCVEGCSA-N 295.342 3.939 30 20 CHED C=CCN(CCC#N)C(=O)c1cc(F)ccc1-c1ccoc1 359381488 DELJHVTWXIWTHY-UHFFFAOYSA-N 298.317 3.628 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@H](CC(C)C)c1ccccc1C 354392754 JHPNAGLTCIOFJD-SJLPKXTDSA-N 289.419 3.526 30 20 CHED C=CCCOCCCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 539501232 CZRQRIUWDUWYQS-IKGGRYGDSA-N 293.451 3.929 30 20 CHED C=C[C@@H](CO)N[C@H]1CCCc2c(Cl)sc(Cl)c21 353564120 HUIRYXQAPMFNHP-CBAPKCEASA-N 292.231 3.569 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(F)c(C#N)c1 534138524 WQHCPVAYDQBREY-JTQLQIEISA-N 262.328 3.708 30 20 CHED CCCc1csc(CNCC2CCC(C#N)CC2)n1 441387418 XVOCCDKQWAEOQA-UHFFFAOYSA-N 277.437 3.515 30 20 CHED C[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 355283014 AGSAFBIVNXNPQZ-NVXWUHKLSA-N 284.403 3.723 30 20 CHED C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CC 358735919 RPLAMJPPQDZJFW-UHFFFAOYSA-N 296.418 3.758 30 20 CHED CCc1cccc(Cl)c1CN(CC)CCC#N 355586010 RGZXHEGMLXDYGD-UHFFFAOYSA-N 250.773 3.638 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(COc2ccc(F)cc2)c1 359132882 VHSVXGQXVCCONA-LBPRGKRZSA-N 298.317 3.503 30 20 CHED CCCCOc1ccccc1CN1CCC[C@](C)(C#N)C1 613540385 UCSMTDWJNCBJGF-GOSISDBHSA-N 286.419 3.991 30 20 CHED C=CC(C)(C)CN[C@@H]1CCc2c1ccc(OC)c2F 453312712 VUIBTEDOPUDHHU-CYBMUJFWSA-N 263.356 3.623 30 20 CHED C[C@H](NC(=O)N(C)CC(C)(C)C#N)c1cc2ccccc2o1 457495156 ASGRBBSBUPWEIY-LBPRGKRZSA-N 299.374 3.685 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccnn1CCC 614241210 DWLDMWYMHKXGHZ-UHFFFAOYSA-N 297.402 3.512 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1)c1ccccc1 456317473 XXXBARRYWHMIJD-LXGCGDOSSA-N 295.426 3.993 30 20 CHED C=CCCCCNC(=O)Nc1sc(CCC)nc1C 362797931 NQJFVRMCXJJEOM-UHFFFAOYSA-N 281.425 3.882 30 20 CHED C=CCC1(CNC(=O)NCCCCOC(C)C)CCCC1 454819021 PPEJSUBCTZWIRI-UHFFFAOYSA-N 296.455 3.627 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(C2CCC(C)(C)CC2)no1 453176054 CFXAYIAVEJVCDD-OLZOCXBDSA-N 276.380 3.812 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(CC2(C#N)CCC2)C1 450438528 KQCYFUMVYYIVHT-XJKSGUPXSA-N 272.367 3.902 30 20 CHED C=CC[C@@H](C(=O)N1C[C@@H]2CCCC[C@@H]21)c1ccccc1 616724269 GXWTZEPEGUULAG-BBWFWOEESA-N 269.388 3.747 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@@H](C)c1ccccc1)OCC 270134050 PWGUIBKFVXWFGI-HOCLYGCPSA-N 275.392 3.577 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 456428097 MTAZJBCQNSGQCP-BZNIZROVSA-N 297.320 3.810 30 20 CHED CC#CCCCC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 452399858 RIAXKZBYGPWJBK-ROUUACIJSA-N 283.415 3.880 30 20 CHED CC(C)O[C@@H]1C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)C1(C)C 618804169 KFVNWJGMMFLXPE-KZNAEPCWSA-N 298.430 3.727 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC/C=C/CC 455342791 VQDRYJUMPXWFPX-WEVVVXLNSA-N 272.392 3.741 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F 279612141 QZIWGIUBPCGMQP-NWDGAFQWSA-N 275.314 3.556 30 20 CHED C=CCCC(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 458044441 AMCOFWPZKIDBOU-CVEARBPZSA-N 257.377 3.747 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H]1c1ccsc1 274538072 FUIOVJGVJJBYLE-CQSZACIVSA-N 278.421 3.951 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)cc1Cl 453373733 WQVRLDDKQMOOQJ-KMUNFCNLSA-N 283.774 3.863 30 20 CHED C=C(C)CCNC(=O)Nc1sc(C)nc1CC(C)C 454952748 NQHIIDQRNXOVQJ-UHFFFAOYSA-N 281.425 3.738 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(OC(C)C)cc1C 547465394 JLHWKUQCRDJHDI-ZDUSSCGKSA-N 289.379 3.596 30 20 CHED CC#CCCCC(=O)N1CCC[C@H](C2CCCCC2)C1 620689416 NNZFQUIKXNJFSI-KRWDZBQOSA-N 275.436 3.999 30 20 CHED CC(C)(C#N)CCN1CC[C@H](Oc2ccccc2Cl)C1 271994225 FQESJLMCFTXBIW-ZDUSSCGKSA-N 292.810 3.733 30 20 CHED CO[C@](C)(CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 453313096 DHGMPGBNACCSSJ-HNAYVOBHSA-N 294.398 3.771 30 20 CHED C=CCCN(C)C(=O)CCc1ccc(C(C)C)cc1 466641236 JMBCXVJQSRDHQB-UHFFFAOYSA-N 259.393 3.777 30 20 CHED CCCCCCCCN1CCN(C2CCOCC2)C[C@@H]1C 373277909 JOQUFEDTTUKFQL-KRWDZBQOSA-N 296.499 3.532 30 20 CHED C=CCOc1ccc(CN2CCC(OC)CC2)cc1Cl 271053136 XHLXPMZGWZAWFT-UHFFFAOYSA-N 295.810 3.516 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)NCCc1cccc(C#N)c1 466423109 BMUWDPNJVLNSOL-AWEZNQCLSA-N 298.817 3.975 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)Cc2cc(OC)ccc2[C@H]1C 466276808 TTZFIXBZLYNSJW-LSDHHAIUSA-N 299.414 3.723 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 620857698 GEFFNTBJZZFZPQ-ZDUSSCGKSA-N 289.423 3.637 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cccc(C(C)C)c1 623928176 GNKYSCWJOWUAQM-HUUCEWRRSA-N 261.409 3.645 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)nc2ccccc12 466530676 REEABSXXCSOHPR-ZDUSSCGKSA-N 268.360 3.628 30 20 CHED CC#CCCCC(=O)N(CC)Cc1ccc(Cl)cc1 464561856 RVFOVOGVLIOVKY-UHFFFAOYSA-N 277.795 3.882 30 20 CHED CCc1ccc(-c2ccc(CNC[C@H](C)C#N)o2)cc1 544596588 SZDLJZXBVSJVIZ-CYBMUJFWSA-N 268.360 3.758 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](C)c2ccccc21 466384052 QQRMZCRVQXYHKS-OLZOCXBDSA-N 258.365 3.674 30 20 CHED C#CC[C@H](N[C@H]1CCC[C@@H]1CCOC)c1ccccc1 282355772 VXOMDMWMRCNZOD-SQNIBIBYSA-N 271.404 3.546 30 20 CHED C=CCOc1cccc(NC(=O)N2CC3(CCCC3)C2)c1 376900347 ZQACWCPWDMSFBG-UHFFFAOYSA-N 286.375 3.659 30 20 CHED C=CCN(CC/C=C\CC)Cc1cccc(C#N)c1 466836148 DVQFZVUIQJDXKY-WAYWQWQTSA-N 254.377 3.903 30 20 CHED CCN(Cc1cccs1)C(=O)[C@@H](C)c1cccc(C#N)c1 461751819 CUHQZMYNPAKYDG-ZDUSSCGKSA-N 298.411 3.772 30 20 CHED C=CCCN(C)C(=O)NCC1(C)CCCCCC1 466801641 MEIXZXILXUHAHK-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CCCCC(=O)N1CCCc2c(OC(F)F)cccc21 554663637 LNDLPMBTVVUMQW-UHFFFAOYSA-N 295.329 3.924 30 20 CHED CCCCCCCC(=O)N1CCCC[C@H]1c1noc(C)n1 370947114 JQGZDDZAIWMKTG-AWEZNQCLSA-N 293.411 3.792 30 20 CHED C=CCCC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 557685974 ADFIUOGQPYFTIS-KRWDZBQOSA-N 271.404 3.921 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccc(F)cc1 280523459 BFOWRYZFUHZBFP-OIISXLGYSA-N 277.383 3.848 30 20 CHED CSc1ccccc1[C@@H](C)N[C@H]1CC[C@@H](C#N)C1 282664889 ITKNOARTNQZQOF-UPJWGTAASA-N 260.406 3.751 30 20 CHED C=CCCN(C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C 467090204 JNIMYHHUCSRQSD-XJKSGUPXSA-N 272.392 3.528 30 20 CHED CC(C)(C)c1cnc(CN(CC#N)C2CCCC2)s1 280021185 XBVPXAWQKORQPF-UHFFFAOYSA-N 277.437 3.709 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1OCCC 466379524 YWOKDLNBVKTRSI-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1cccc(SC)c1 555732185 XWORHCIJVFQGJO-UHFFFAOYSA-N 263.406 3.974 30 20 CHED C=CCC[C@@H](NCC[C@@H]1CCCCO1)c1ccco1 285996830 HHTORYWGUJNJCW-LSDHHAIUSA-N 263.381 3.836 30 20 CHED CC(C)CCC1CCN(c2cc(C#N)ccn2)CC1 557627749 QCVQQZLKIUSBBK-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](CCC)C1 555220910 HUXUFFJLBBKVMO-CQSZACIVSA-N 288.439 3.748 30 20 CHED N#CCCCC(=O)N1CCC(c2ccc(Cl)cc2)CC1 291849555 GJRZGDSTWBYAKL-UHFFFAOYSA-N 290.794 3.740 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@H](CC)c1cccc(OC)c1 290194104 UDBSWLUEAKKJHS-MRXNPFEDSA-N 287.403 3.654 30 20 CHED C=CCN(Cc1cnn(CC(C)C)c1)c1ccccc1 472603014 BRYJMFVWHMRDEG-UHFFFAOYSA-N 269.392 3.732 30 20 CHED CCC(CC)N(CC)C(=O)c1ccc(C)c(C#N)c1 809334279 GCIINBZKVQWNCW-UHFFFAOYSA-N 258.365 3.517 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(F)c(OC)c2)no1 558302657 YFJMQKYIAHESQR-OAHLLOKOSA-N 276.311 3.738 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)CCCO2 559424761 FHHLPDAIBZZUAH-UHFFFAOYSA-N 259.349 3.552 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC(C1CCC1)C1CCC1 477994719 QDPVBRPTHGHBJV-UHFFFAOYSA-N 297.402 3.957 30 20 CHED CCc1cccc(OCCN[C@@H](C)c2ccc(C#N)cc2)c1 558734248 JAZBVVXVEZTJBF-HNNXBMFYSA-N 294.398 3.850 30 20 CHED CSc1nc2ccc(NC(=O)CCCC#N)cc2s1 291981876 UUMCEKRJWTUYCP-UHFFFAOYSA-N 291.401 3.651 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1c2ccccc2CC[C@H]1C 476145471 IKBIYHUBXBXIHA-RHSMWYFYSA-N 286.419 3.918 30 20 CHED C[C@H]1/C(=C/c2ccc3c(c2)ncn3C)C(=O)c2ccccc21 809159073 HSHITFHORBBHEN-DZZSIBQASA-N 288.350 3.957 30 20 CHED C=CCCCC(=O)NCCc1ccc(C(C)(C)C)cc1 479534086 VCAFUMPBFRFOQQ-UHFFFAOYSA-N 273.420 3.999 30 20 CHED C=CCN(CCC#N)C(=O)c1cc(SC)ccc1Cl 293664705 FWNGOVPHUKZDLX-UHFFFAOYSA-N 294.807 3.604 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(CN2CCCC2)ccc1C 297887520 RVZABICWZQFXNA-UHFFFAOYSA-N 286.419 3.742 30 20 CHED C#Cc1ccc(CN2CCO[C@H](c3ccccc3C)C2)cc1 809577951 DIJOLYZNFWIAOG-FQEVSTJZSA-N 291.394 3.550 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 644963853 DBPWFHMOJJOLND-GHMZBOCLSA-N 277.330 3.778 30 20 CHED CC(C)[C@@H]1OCCC[C@@H]1CN[C@H]1CCc2ccc(C#N)cc21 564427572 LUYWEBNIWFQCPE-NEWSRXKRSA-N 298.430 3.586 30 20 CHED CC#CCCOC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801899731 ZIZNFSVYSABNSY-GFCCVEGCSA-N 288.240 3.673 30 20 CHED C=CCCCCNC(=O)CCc1ccc(OC)c(Cl)c1 471680704 VUUQNTAYNAKBLC-UHFFFAOYSA-N 295.810 3.754 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Cl)c(F)cc1Cl 293607863 DWOFOPGSONWVBP-ZETCQYMHSA-N 276.138 3.827 30 20 CHED C=CCC(CC=C)C(=O)OCc1coc(C(C)C)n1 802971194 FFDDKPCDIPIJHT-UHFFFAOYSA-N 263.337 3.610 30 20 CHED C#CCC(C)(C)c1nc([C@H]2CCc3ccccc3C2)no1 809421995 FJPMIBQDSURDKD-HNNXBMFYSA-N 280.371 3.643 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC[C@@H](F)C2)cc1OC 569120568 ZSCRBPHSPHWHCQ-CABCVRRESA-N 293.382 3.630 30 20 CHED N#Cc1cc(NC2(Cc3ccc(Cl)cc3)CCC2)ncn1 566596954 SIQDZZOAEHFXFG-UHFFFAOYSA-N 298.777 3.579 30 20 CHED N#CCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 293467109 WVGZFQQNMHDADK-KSZLIROESA-N 296.414 3.865 30 20 CHED C=CCCCCNC(=O)Cc1ccc2c(c1)CCCC2 471669370 PQVKEKBUFYAIDJ-UHFFFAOYSA-N 271.404 3.580 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@H]1C=CCCC1 563692774 PHASXOPZKSMSJO-KBXCAEBGSA-N 294.398 3.798 30 20 CHED N#C[C@H](OC(=O)c1ccccc1OC1CC1)C1CCCCC1 805722550 ISVGLIRHGTXFDO-KRWDZBQOSA-N 299.370 3.857 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc(CC(C)(C)C)cs1 815968698 QNJQDIIFIMADAK-UHFFFAOYSA-N 288.363 3.882 30 20 CHED CCCCOc1cc(C=NOCC2CC2)ccc1OC 814243975 WTBQFYPMZXMVSK-UHFFFAOYSA-N 277.364 3.635 30 20 CHED CC(=NNc1c(F)cccc1F)c1cc(F)c(N)c(F)c1 814852643 JFQMEPIPFMNCJQ-UHFFFAOYSA-N 297.255 3.661 30 20 CHED C=CCC(F)(F)C(=O)N1Cc2cc(C)ccc2CC1(C)C 818649395 PCXDLNSLVKXEIH-UHFFFAOYSA-N 293.357 3.870 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N 481182385 BKQAUFMTKCLSBJ-LRDDRELGSA-N 260.356 3.756 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC[C@@H]2C2CCC2)cc1 814683970 YIRYKZMSCWROBL-CYBMUJFWSA-N 259.309 3.573 30 20 CHED CCc1cnc(C=NNc2cccc(Cl)c2F)s1 814818942 QHOKNRXLZQLCQG-UHFFFAOYSA-N 283.759 3.944 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccccc1OC(C)C 815312063 JXKSIVOLMJAERY-UHFFFAOYSA-N 284.302 3.728 30 20 CHED CCCCCCCCNC(=O)c1snnc1C1CC1 810728439 FMXYKNBBQYXJID-UHFFFAOYSA-N 281.425 3.506 30 20 CHED C=CC[C@@H](C)NCc1cn(-c2ccccc2Cl)nc1C 655737449 BAXNCIIYMDCRHS-GFCCVEGCSA-N 289.810 3.888 30 20 CHED CC(C)(CC#N)CSc1nccn1Cc1ccccc1 575430699 GZNBLWLIRGFRPP-UHFFFAOYSA-N 285.416 3.963 30 20 CHED COc1cccc(NN=C2CCC[C@H]2C(C)(C)C#N)c1 814777858 YQTIBLHCDHUNGL-CQSZACIVSA-N 271.364 3.813 30 20 CHED C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)CC(C)(C)C#N 817611553 QJGGMIYBXMQDHV-FMIVXFBMSA-N 290.794 3.751 30 20 CHED COc1ccc2ccccc2c1C=NOC1CCC1 812238557 ZWMHSDVLAGGUPM-UHFFFAOYSA-N 255.317 3.751 30 20 CHED Brc1cscc1C=NOCCC1CC1 814246769 DJLKGTOHXPTZQE-UHFFFAOYSA-N 274.183 3.661 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cc(COC)cs1 658209693 RDUUZEINPHFKET-NEPJUHHUSA-N 253.411 3.585 30 20 CHED COc1ccccc1[C@H](CC(C)C)Nc1cc(C#N)ncn1 579548516 OCTOGYUKFFWULU-HNNXBMFYSA-N 296.374 3.556 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)c1ccccc1 819430306 CQKSNHXLRLVACO-UAGQMJEPSA-N 269.388 3.694 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C1CC[C@@H]1C1CC1 814810004 UQYZSNWUERTYBF-SNVBAGLBSA-N 279.727 3.836 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)cc2c1OCC2 489968293 WYWWLMVQRMNEQN-UHFFFAOYSA-N 293.794 3.607 30 20 CHED CCCCOc1ccc(C=NOCCSC)cc1OC 727436464 ATRKVLTYOSVQME-UHFFFAOYSA-N 297.420 3.588 30 20 CHED Fc1cccc(NN=Cc2ccc3[nH]ccc3c2)c1F 811643018 OXOCYJOPQOEVDD-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)c(OC)c(C)c1 814420331 XWSZNNXRWZWEFB-UHFFFAOYSA-N 275.392 3.644 30 20 CHED COc1ccc([C@@H](CCC#N)NC2CC(C)(C)C2)cc1 575883362 QMBIEXHGHAAHJN-MRXNPFEDSA-N 272.392 3.818 30 20 CHED N#Cc1ccc([C@H](O)CNc2ccc(C3CC3)cc2)cc1 819465570 ABUZLOGLXIAFLC-GOSISDBHSA-N 278.355 3.581 30 20 CHED Cc1ccc2c(C)cc(NN=C[C@@H]3CCCOC3)nc2c1C 814769232 KJKGYAAPEISCFN-HNNXBMFYSA-N 297.402 3.984 30 20 CHED N#Cc1cncc(N[C@H](c2ccccc2)C2CCCC2)n1 570917217 MTSAPWZEARGXPV-QGZVFWFLSA-N 278.359 3.692 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(N2CCCC2=O)cc1 824789513 CZUTWJMSUBZCKM-AWEZNQCLSA-N 286.419 3.676 30 20 CHED C[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)C[C@@H](c2ccccc2)C1 576220243 IEMGOAOBFLMZAF-CAMMJAKZSA-N 295.430 3.992 30 20 CHED CCCN(CC#N)CCn1ccc2cc(Cl)ccc21 573648437 NYOIXJBZHJZTNV-UHFFFAOYSA-N 275.783 3.530 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 577935936 ZMPNZAKTMYQONO-GXFFZTMASA-N 298.308 3.774 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)OCc1ccc(CC#N)cc1 820505702 YTNDOEMSDRRYRV-XJKSGUPXSA-N 271.360 3.622 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1c1ccnc(C#N)c1 577978957 UWNMNDQOGBGLOG-CHWSQXEVSA-N 257.381 3.604 30 20 CHED C[C@@]1(CNc2ccc(F)cc2C#N)CC1(Cl)Cl 828797920 FCWJOUYJYZNQCM-NSHDSACASA-N 273.138 3.693 30 20 CHED CCC[C@H](C(=O)N1CCC(CCC#N)CC1)c1ccccn1 573003624 UQIZJRKXIKAFGU-INIZCTEOSA-N 299.418 3.508 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCO[C@H](C(C)C)C2)CCCCC1 821796194 FNASQAQAPUTKMP-CVEARBPZSA-N 293.451 3.833 30 20 CHED C=CCCOC(=O)CCC(=O)c1ccc(CC(C)C)cc1 729072522 PMMHBBGIPIAZTC-UHFFFAOYSA-N 288.387 3.967 30 20 CHED Cc1ccc2nc(CNc3ccc(C#N)c(Cl)c3)cn2c1 584547727 OKDPPJJNLXKAJE-UHFFFAOYSA-N 296.761 3.780 30 20 CHED N#Cc1cccc(F)c1CC(=O)Nc1ccc(C2CC2)cc1 586804068 DSJLKVLKVBUPQM-UHFFFAOYSA-N 294.329 3.756 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)o2)c2c(c1)C[C@H](C)O2 727744289 NGSMBGHWEJEBTF-FJOGCWAESA-N 298.338 3.816 30 20 CHED CC[C@H](N[C@@H]1CCc2c(O)cccc21)c1cccc(C#N)c1 902794720 YLAMEEQVOOYQMH-ZWKOTPCHSA-N 292.382 3.992 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2nc(C)cs2)CCCC1 663951971 SZFTWDKDQCLCHN-GFCCVEGCSA-N 293.436 3.701 30 20 CHED CCCC[C@H](CCC)NC(=O)NCC(C)(C)CCC#N 499123657 SHGHJDAOCFOJIC-AWEZNQCLSA-N 281.444 3.974 30 20 CHED CNc1ccc(C)cc1CN[C@@H](C)c1cccc(C#N)c1 902289905 GVNMAPZAFBXWJH-AWEZNQCLSA-N 279.387 3.759 30 20 CHED CC1(C)CCC(=NNc2nncc3ccccc23)CC1 735970895 KYJOGDSIANMUBY-UHFFFAOYSA-N 268.364 3.998 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(C)c(F)c2)cc1 588419586 YVEWUNSWBXLCHX-YHYXMXQVSA-N 297.329 3.989 30 20 CHED C=CCCCOC(=O)c1cnn(-c2ccccc2)c1C1CC1 735528050 MXOQDGKMSKMVAO-UHFFFAOYSA-N 296.370 3.873 30 20 CHED CSc1ccsc1C(=O)N(O)Cc1ccc(F)cc1 901374599 MSKJWYQFRORECY-UHFFFAOYSA-N 297.376 3.641 30 20 CHED CC(C)(C)[C@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1 583435611 QDBPNTVDIBFDSP-XJKSGUPXSA-N 287.382 3.946 30 20 CHED C1CC(ON=C2CCC(OC3CCCC3)CC2)C1 834979207 LFCHWMGXELSQBS-UHFFFAOYSA-N 251.370 3.813 30 20 CHED CCO[C@H]1CC(=NN[C@@H](C)c2ccccc2)C1(C)C 736430287 UZAYEYAWZXKAQT-WFASDCNBSA-N 260.381 3.528 30 20 CHED CCc1cccc(C)c1NN=Cc1cn(C)nc1C1CC1 901235061 TYEPDDFJUIJLBT-UHFFFAOYSA-N 282.391 3.614 30 20 CHED CON=C1CCCc2nc(-c3ccccc3F)sc21 731925957 DKXCFGPLRJTYCG-UHFFFAOYSA-N 276.336 3.636 30 20 CHED C=CC[C@@H](NC(=O)Nc1ccc(C)cc1)c1ccncc1 734515638 OIDWFMGYLKJLQB-MRXNPFEDSA-N 281.359 3.829 30 20 CHED CCCOc1cc(F)ccc1NC(=O)C#CC(C)(C)C 837469200 ZYOJUVHNKLEVGN-UHFFFAOYSA-N 277.339 3.603 30 20 CHED C=CCN(Cc1ccc(-c2ncco2)cc1F)C(C)C 839467705 XVEGBSFCCZKMDZ-UHFFFAOYSA-N 274.339 3.877 30 20 CHED C#CC1CCN(C(=O)Nc2cccc(OCC(=C)C)c2)CC1 831421148 ISEQIDTYIOTYFA-UHFFFAOYSA-N 298.386 3.519 30 20 CHED Cc1cc(C)cc(C=NNc2cnnc3ccccc23)c1 733747994 AVOWZFYQODOJQH-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C[C@H]1CC(NC(=O)/C=C/c2ccccc2C#N)C[C@H](C)C1 739653546 DRTJKMPQRHFOME-GODNBWANSA-N 282.387 3.512 30 20 CHED CCC(CC)NN=C(C)c1[nH]c(-c2ccccc2)nc1C 734366178 HILJNELWJMXAKG-UHFFFAOYSA-N 284.407 3.887 30 20 CHED C=CC[C@H](NC(=O)N(CC)[C@@H](C)C(C)C)c1ccncc1 734678340 GEZIYPVITLZPNW-HOCLYGCPSA-N 289.423 3.775 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC2(CCCCC2)CC1)OCC 677304133 WWMFEPDEDHSJST-INIZCTEOSA-N 293.451 3.931 30 20 CHED COc1cc(C)c(C(C)=NOCc2ccccc2)cc1OC 731313653 DEMCOUUBEYKDSX-UHFFFAOYSA-N 299.370 3.953 30 20 CHED N#C[C@H](C(=O)CSc1ccccc1F)c1ccccc1 917136466 BLOQYKSSROGNNR-ZDUSSCGKSA-N 285.343 3.794 30 20 CHED CCN(Cc1coc(-c2cccc(Cl)c2)n1)[C@H](C)C#N 595812400 KKOQYLBMEMWZOC-LLVKDONJSA-N 289.766 3.729 30 20 CHED CCC[C@@H](C=NNc1nc2ccccc2cc1C)OC 834970704 NPYAYJGERAYVGY-AWEZNQCLSA-N 271.364 3.756 30 20 CHED C[C@H](C#N)N(C(=O)CCCC1CCCCC1)C1CC1 598123209 JZSIJGFMZRQZEN-CYBMUJFWSA-N 262.397 3.640 30 20 CHED N#Cc1ccc(NCc2nc(C3CCCCCC3)no2)cc1 592464462 QXIGVVQPLOPRLA-UHFFFAOYSA-N 296.374 3.991 30 20 CHED C=CCOc1ccc(CNc2ccnc(C(C)(C)C)n2)cc1 672319406 JZZAOOAKAXCDEC-UHFFFAOYSA-N 297.402 3.951 30 20 CHED CC1(C)CCCN(Cc2ccc(OCC#N)cc2)CC1 741805676 RFNSZFFGSHLXPF-UHFFFAOYSA-N 272.392 3.601 30 20 CHED CC(C)(CCC#N)CNCc1cccc2c1CCC2 593629245 INJDCUZUXBEOMZ-UHFFFAOYSA-N 256.393 3.595 30 20 CHED N#C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1ccccc1 595425426 RVZFXEPWYCVQRC-MSOLQXFVSA-N 262.356 3.992 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCc3c(F)cccc32)o1 745613304 DOYYTIGHPSJCRC-UHFFFAOYSA-N 298.321 3.571 30 20 CHED C=CCN(C(=O)NCCC[C@H]1CC1(Cl)Cl)C(C)C 845666872 AIOGEXSYZPODJM-NSHDSACASA-N 293.238 3.566 30 20 CHED CN(CCCC#N)c1ccc(-c2nccs2)cc1 846991265 JFKXJJVVGULREQ-UHFFFAOYSA-N 257.362 3.550 30 20 CHED C=C(Br)CNC(=O)CCCCCC(C)C 747908906 RHQWTDJHKJBMJZ-UHFFFAOYSA-N 276.218 3.618 30 20 CHED Cc1cc2cc(C(=O)OCCCCC#N)oc2cc1C 745582197 XYFVOTWXZOSRNQ-UHFFFAOYSA-N 271.316 3.900 30 20 CHED C=CCCSCCN[C@H]1CCCc2c(O)cccc21 595059364 MZOPRHGFTFINPE-HNNXBMFYSA-N 277.433 3.669 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1ccc(C)s1 917023468 XEUOUNMMSRBSAI-UHFFFAOYSA-N 275.333 3.801 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)C(C)C 743755370 XGSAJOJJAGNELU-HKUYNNGSSA-N 283.415 3.704 30 20 CHED Cc1cc(/C=C2\C(=O)c3ccsc3S[C@H]2C)n(C)n1 841484746 BMDAKPBVOVVXAZ-PPLKPFPSSA-N 290.413 3.551 30 20 CHED C=CCC[C@@H](CCC)NCCc1cn2cccc(C)c2n1 675926632 UXUGQFSTYUMJEG-MRXNPFEDSA-N 285.435 3.910 30 20 CHED CCC(CC)CN(CC)C(=O)/C=C/c1ccccc1C#N 915283070 FAKGNTVUIDYQBU-VAWYXSNFSA-N 284.403 3.856 30 20 CHED CC(=NNc1cccc(Br)c1)c1ccc[nH]1 745987735 KTCZZEURJQAANJ-UHFFFAOYSA-N 278.153 3.613 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)CN1CCCCC1 915198282 MTCTWEOGAKHXMI-INIZCTEOSA-N 282.472 3.728 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(C3CC3)c2)n(C)n1 841487210 OUKRVMBLGLBXTK-CMDGGOBGSA-N 266.344 3.502 30 20 CHED Cc1c([C@@H](C)NCC(C)(C)CC#N)cnn1-c1ccccc1 840784519 BPTPNRJAJSOAQH-CQSZACIVSA-N 296.418 3.771 30 20 CHED CCN(Cc1cc(Br)ccc1F)C[C@@H](C)C#N 42449725 UAEVUNYEZFSVAD-JTQLQIEISA-N 299.187 3.570 30 20 CHED CC(=NNc1ccccn1)c1cc(C)c(F)c(C)c1 741455977 NWOHARZIPXFTDQ-UHFFFAOYSA-N 257.312 3.674 30 20 CHED Cn1ccc(C/N=C\c2c(O)ccc3ccccc23)c1 748284682 DWBJSKQUPZJOLR-WQRHYEAKSA-N 264.328 3.503 30 20 CHED Cc1ccsc1COC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 841171267 PMPFITKPQVIQNC-LSDHHAIUSA-N 297.379 3.775 30 20 CHED CC(C)(C#N)c1ccc(CN[C@]23CCC[C@@H]2C3)cc1 594954486 ZZDPWSNSEYBIOV-WBVHZDCISA-N 254.377 3.520 30 20 CHED C#C[C@@H](C)OC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 744178435 SIVQDKFAJQSVIS-GFCCVEGCSA-N 299.395 3.534 30 20 CHED C=CCC1(C(=O)OC[C@H](C)CC(F)F)CCCC1 842440556 LWWUSLDVGNATEI-LLVKDONJSA-N 260.324 3.957 30 20 CHED Cc1cccc2[nH]c(CN3CCC[C@H](CC#N)C3)cc12 597177464 MRMVAOWXWWQGLZ-CQSZACIVSA-N 267.376 3.602 30 20 CHED N#C[C@]1(C(=O)Nc2cc(F)cc(Cl)c2)CC12CCCC2 590987212 QCYNVLXIAFNGJU-HNNXBMFYSA-N 292.741 3.892 30 20 CHED CCCCNN=C(C)c1ccc(SC)c(F)c1 741762267 WNCYANPLPGWHTE-UHFFFAOYSA-N 254.374 3.661 30 20 CHED CCCN(Cc1ccc(C#N)cn1)Cc1ccccc1F 593953974 LWGBAFOLWZOJSN-UHFFFAOYSA-N 283.350 3.505 30 20 CHED CC(C)(CC#N)C/N=C/c1cc(Br)ccc1O 840709380 CPZLIQGNUWHQAQ-LZYBPNLTSA-N 295.180 3.513 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2cccc(CN(C)C)c2)c1 926549255 FTLZMSKLPZSWIW-INIZCTEOSA-N 292.426 3.580 30 20 CHED C=CCC[C@H](N[C@@H](C)c1nonc1C)c1ccccc1 925581425 ZJWZVKREGHEIDT-WFASDCNBSA-N 271.364 3.736 30 20 CHED N#CCC1(CNCc2cccc(Oc3ccccn3)c2)CC1 922086088 YUYWJNIEBPBRFA-UHFFFAOYSA-N 293.370 3.657 30 20 CHED C[C@@H](COC(=O)c1ccc(C#N)s1)c1ccccc1 750396231 WQSDGCMAHZSQRL-NSHDSACASA-N 271.341 3.580 30 20 CHED C/C=C(\C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 751350566 BZQIHZHWZCGLCY-KGVSQERTSA-N 293.326 3.650 30 20 CHED C#CC[C@H](NC(=O)C=C1CCCCC1)c1ccccc1 757600397 QDHJPZINACCDQP-KRWDZBQOSA-N 267.372 3.758 30 20 CHED CN(CCc1ccccc1F)Cc1cc(F)ccc1C#N 759344539 ZZTBFOJXNAOXPO-UHFFFAOYSA-N 286.325 3.511 30 20 CHED C[C@@H]1CC/C(=C/C(=O)N[C@@](C)(C#N)CCc2ccccc2)C1 753609747 MNIKTTRNHLLXGA-KXOBDBFQSA-N 296.414 3.764 30 20 CHED CCCCCCCCNC(=O)NCc1cc(C(C)C)no1 754856515 UPOHMZKOBVNRCL-UHFFFAOYSA-N 295.427 3.958 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc2c(c1)CCCC2 755818531 CLWHJMUTSZHHRL-QGZVFWFLSA-N 273.376 3.833 30 20 CHED Fc1ccc(CON=C[C@H]2CC2(Cl)Cl)cc1 853333100 CKPXIISLGRHGGK-SECBINFHSA-N 262.111 3.522 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ncc(C(F)(F)F)cc1Cl 758359752 RFTXCTANPBQHLD-NKWVEPMBSA-N 277.677 3.808 30 20 CHED C[C@H]1CCCCN1N=Cc1ccc(F)c(C#N)c1Cl 853378699 BKGUFADNJRUXSM-JTQLQIEISA-N 279.746 3.559 30 20 CHED C=CC(C)(C)CCOC(=O)c1ccc(C)c(NC(C)=O)c1 851298724 LJOZOBLXSIIEHJ-UHFFFAOYSA-N 289.375 3.713 30 20 CHED C=C(Cl)COC(=O)CCCc1ccc(C)s1 750974271 ZJOFBBPIRKWGJF-UHFFFAOYSA-N 258.770 3.675 30 20 CHED CCN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](C)C#N 856074873 DRGUQGVBNQIYLF-QWRGUYRKSA-N 298.308 3.569 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H](C)c2ccc(F)cc2)c1 920054408 MDEJXSPICRTSLU-ZDUSSCGKSA-N 296.345 3.732 30 20 CHED C=CCCNC(=O)N[C@@H](C)c1ccccc1C(F)(F)F 852003077 HZEOHABUDHYRKB-JTQLQIEISA-N 286.297 3.642 30 20 CHED C=CCOc1ccccc1C(=O)OCCCOC(C)(C)C 757039339 QWGCNSIENCVEFD-UHFFFAOYSA-N 292.375 3.613 30 20 CHED CC1(c2ccccc2)CC(=NNc2ncc(Cl)cn2)C1 857223625 WNULFNQRRYENDG-UHFFFAOYSA-N 286.766 3.650 30 20 CHED Cc1ccccc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1F 752873353 DACDXCIWEUIBQD-RMKNXTFCSA-N 285.274 3.938 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](C)c1csc2ccccc12 753123560 ADJXBFAIAKVRGV-NEPJUHHUSA-N 286.400 3.673 30 20 CHED C=CC[C@@H](NC(=O)c1cccc2c1CCC2)c1ccncc1 750197090 XLIHAXDQBIRXKY-GOSISDBHSA-N 292.382 3.618 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O 756791693 UHGZFLJQKMFCDI-RYUDHWBXSA-N 278.352 3.696 30 20 CHED C#CCN(C(=O)Nc1c(C)cccc1SC)C(C)C 930891320 HSZIALZLVJBPAM-UHFFFAOYSA-N 276.405 3.592 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 759281132 GPXIXDYNKHNHHT-ZNFPLGDCSA-N 296.414 3.856 30 20 CHED Cc1cc(OC(=O)C[C@@H]2CCC[C@@H]2C)ccc1C#N 765093653 LPPPDLPLWYVCEM-AAEUAGOBSA-N 257.333 3.598 30 20 CHED C#CCCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 766896391 NKRIJKCDQRVDFW-CZUORRHYSA-N 257.377 3.781 30 20 CHED C[C@@H](Oc1cccc2ccccc12)C(=O)OCCCCC#N 769358258 SETHFKLYHOECIC-CQSZACIVSA-N 297.354 3.844 30 20 CHED CCc1ccccc1CCON=C(C)Cn1nc(C)cc1C 766694414 ZBRONCDRTOLFQM-UHFFFAOYSA-N 299.418 3.698 30 20 CHED CCc1nc(C=NNc2c(F)cccc2Cl)cs1 769828432 FQTLXKFXPRQPOR-UHFFFAOYSA-N 283.759 3.944 30 20 CHED CCCCCCCn1cc(NC(=O)C(C)(C)C)cn1 764564521 VZCLOGJHOSLNCY-UHFFFAOYSA-N 265.401 3.838 30 20 CHED C=C1CCN(C(=O)Nc2cccc(-c3nc(C)co3)c2)CC1 930361963 XLWWSKUAVHBRKF-UHFFFAOYSA-N 297.358 3.834 30 20 CHED Cc1c(C(=O)OCC(C)(C)CC#N)oc2ccc(F)cc12 764848712 XMWXOHNGORPKLF-UHFFFAOYSA-N 289.306 3.977 30 20 CHED N#Cc1cc([N+](=O)[O-])c(NC2CCC(F)(F)CC2)cc1F 865649713 SEUCSQSDRJJPCN-UHFFFAOYSA-N 299.252 3.595 30 20 CHED C#C[C@H](OC(=O)[C@@H](C)c1c(C)noc1C)c1ccc(C)cc1 860964427 PVGOZVQXCUQLOQ-LRDDRELGSA-N 297.354 3.621 30 20 CHED CCC(=NNc1cccc(C#N)c1)c1cccs1 767336562 SNJISZFYNDBHCN-UHFFFAOYSA-N 255.346 3.846 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1ccccc1Cl 769601674 IOCZCKIWCUYNFC-HJWRWDBZSA-N 282.730 3.884 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 767253718 VCWSOWZJXFMACW-CQSZACIVSA-N 295.357 3.895 30 20 CHED CC1CC(C#N)(C(=O)OCCc2ccc3ccccc3c2)C1 767429868 AWJNDDIEWXGPDT-UHFFFAOYSA-N 293.366 3.865 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(Br)cc1C 767113814 DNYBWEGSSVCVCG-UHFFFAOYSA-N 295.176 3.712 30 20 CHED N#Cc1cccc(NN=Cc2ccc(OC(F)F)cc2)c1 767336948 XRZKWWFVLITUQX-UHFFFAOYSA-N 287.269 3.606 30 20 CHED CCc1ccc(C=NNc2cc(F)c(F)cc2F)o1 760258371 JOLCVUJFTQWYEZ-UHFFFAOYSA-N 268.238 3.705 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)CCCCCC)CC1 765834864 JHILJAHDXAZZLH-INIZCTEOSA-N 266.473 3.975 30 20 CHED N#CC1(OC(=O)c2cc3c(s2)CCCCC3)CCC1 762095558 UHXUTXYWBFRDHI-UHFFFAOYSA-N 275.373 3.620 30 20 CHED N#Cc1cc2ccccc2nc1NCCC[C@H]1CCCCO1 760600972 CZXMHCUGMROSAR-MRXNPFEDSA-N 295.386 3.868 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC(F)CC2)c1 878575052 WSXZOWBXXLZUHD-UHFFFAOYSA-N 292.354 3.607 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2cc(C)ccc2C)c1 774116776 TWXNPVQEULTYBG-SREVYHEPSA-N 284.311 3.579 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCc2ccc(C)cc21 772989634 XPRPRUKXEOMGEM-IBGZPJMESA-N 291.394 3.784 30 20 CHED CCCCC[C@@H](CC)C(=O)OCC1(CC#N)CC1 776095202 YHWIHJDJOFYLNB-CYBMUJFWSA-N 251.370 3.830 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ccc(C#N)cc1 773201598 QGHKUYZLCWWWOY-CZUORRHYSA-N 253.349 3.948 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNCc1ccc(C#N)cc1 773207774 KCSIRKIINOKERM-YOEHRIQHSA-N 267.376 3.626 30 20 CHED C#CCCOc1ccc(CNc2ccc(F)c(F)c2)cc1 776251936 DCDCBXMYJRNJHY-UHFFFAOYSA-N 287.309 3.979 30 20 CHED COc1cc(C=NOC(C)(C)C)cc(Cl)c1OC 1116408642 IVRTUSABJZMSNY-UHFFFAOYSA-N 271.744 3.506 30 20 CHED CC1(C(=O)OCC#Cc2cccc(Cl)c2)CC(F)(F)C1 873441127 JKOWSQLIJUKXGQ-UHFFFAOYSA-N 298.716 3.670 30 20 CHED C=C(C)CN(C)C(=S)Nc1ccc(OC)c(Cl)c1 777917670 AAWJQTMGKVMZAT-UHFFFAOYSA-N 284.812 3.553 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H]2CCC(F)(F)C2)cc1 777243760 YBPWDCWBMLIROT-GXTWGEPZSA-N 279.330 3.537 30 20 CHED C=CC[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccncc1 777671467 VOYWKYACENTMPM-GDBMZVCRSA-N 270.376 3.561 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)[C@@]1(C)CC=CCC1 1122967028 BNFQLQRSDGOSDG-QAPCUYQASA-N 283.371 3.501 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(C(C)(C)C)cc1 776006024 GCRKVFZLZPDKGQ-ZDUSSCGKSA-N 256.393 3.938 30 20 CHED CC(C[C@H]1CCOC1)=NN[C@@H](Cc1ccccc1)C(C)C 777447089 DFVFKMNEHCEWLW-MSOLQXFVSA-N 288.435 3.646 30 20 CHED N#C[C@H](OC(=O)c1ccc2ccccc2n1)C1CCCCC1 776358909 ABXSUURTTOHNGI-KRWDZBQOSA-N 294.354 3.864 30 20 CHED COc1ccc(/C=C\C(=O)Nc2cccc(C#N)c2C)cc1 770240557 RVMCXVKWZVHDRR-FLIBITNWSA-N 292.338 3.527 30 20 CHED CC(C)(C)OC(=O)N1CCC(=NOC2CCCCC2)CC1 777460340 VXOCDGJJSRHYPR-UHFFFAOYSA-N 296.411 3.723 30 20 CHED CON=Cc1ccc(C(=O)OC/C=C\c2ccccc2)cc1 770282959 KPCDGZUCORSHCB-RPVLYLTJSA-N 295.338 3.537 30 20 CHED C=C(CC)CN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 773426619 FPMMQEFQOHOMRD-UHFFFAOYSA-N 296.455 3.532 30 20 CHED CCCCCCCCNC(=O)c1c(C)cccc1[N+](=O)[O-] 772434199 RWDSLLFCCGRHMB-UHFFFAOYSA-N 292.379 3.994 30 20 CHED Cc1ccc(C)c(OCCC(=O)OCCC(C)(C)C#N)c1 776362331 PXUQFUOINFXQEE-UHFFFAOYSA-N 289.375 3.555 30 20 CHED Cc1cc(F)ccc1/C=C1/CC(=O)Nc2ccccc2C1=O 774145530 OXFMQTWHVLFITQ-LCYFTJDESA-N 295.313 3.743 30 20 CHED C#Cc1cccc(N[C@H](C)CCc2n[nH]c3ccccc23)c1 784657700 ILUOUZYUWSDBOV-CQSZACIVSA-N 289.382 3.977 30 20 CHED C=CCCCCCOC(=O)c1ccccc1CC#N 782605699 RGVANFUUIVXAML-UHFFFAOYSA-N 257.333 3.656 30 20 CHED C#CCC1(C(=O)NCc2ccccc2C)CCCCC1 788135056 BNQPWXDHQZFZFB-UHFFFAOYSA-N 269.388 3.585 30 20 CHED Cc1cccc2c1OC/C(=C\c1scnc1C1CC1)C2=O 782331772 XUYZFICFXUPKCY-KPKJPENVSA-N 297.379 3.988 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1C[C@H](C)C[C@H]1C 1122596903 ZVJWLNVPQMAHSU-UPJWGTAASA-N 294.468 3.513 30 20 CHED CCCCCCOc1cccc(CNCCC#N)c1 787298072 FBKDHDIWRKYFGU-UHFFFAOYSA-N 260.381 3.649 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(C2CC2)nc2ccccc12 781147512 ULYOHCZZQZBZBP-LBPRGKRZSA-N 280.327 3.571 30 20 CHED C=C1CC(c2noc(Cc3coc(-c4cccs4)n3)n2)C1 896881303 HXRIQCIAUODIBH-UHFFFAOYSA-N 299.355 3.811 30 20 CHED CC(C)C(C=NNc1ccccc1C(=O)O)C(C)C 788981191 QXQPXJOVKUCTBL-UHFFFAOYSA-N 262.353 3.711 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)C1CCSCC1 782288397 QXVMLHPCRYEQQI-CYBMUJFWSA-N 254.443 3.674 30 20 CHED Cc1nc(CN(CCC#N)CC(C)(C)C)sc1C 81671735 PBRJZNNRJNSPKL-UHFFFAOYSA-N 265.426 3.522 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1cn(C)nc1C1CC1)C2=O 899367138 WKVUAPCLZPUUGS-RGZVIEDOSA-N 292.382 3.989 30 20 CHED COc1ccccc1CON=C(C)c1ccc(N)cc1C 799118462 HNMVIWJQROIEBV-UHFFFAOYSA-N 284.359 3.527 30 20 CHED CCCCCOC(=O)C[C@H](CC#N)c1ccccc1 795980404 GUSVVMCBCWMMDD-HNNXBMFYSA-N 259.349 3.807 30 20 CHED COc1ccc([C@@H](C)OC(=O)c2ccc(C)c(C#N)c2)cc1 799604875 GTVYEDCPDULBFL-CYBMUJFWSA-N 295.338 3.793 30 20 CHED COCCN(C)N=C1CCC[C@H]1c1ccc(Cl)cc1 794965994 HRYZXVHDOVBTCI-AWEZNQCLSA-N 280.799 3.542 30 20 CHED CCC[C@@H](C=NNc1ncncc1F)c1ccccc1 793224930 CKRPTPMKGXXOAP-ZDUSSCGKSA-N 272.327 3.597 30 20 CHED CC(C)c1ccoc1C(=O)Oc1ccc(C#N)cc1F 790865121 RGQVMJQDNKPYOC-UHFFFAOYSA-N 273.263 3.633 30 20 CHED FC(F)(F)CCNN=Cc1cc(Cl)ccc1Cl 794544757 FBRXEUCXDCVMEU-UHFFFAOYSA-N 285.096 3.869 30 20 CHED C=CCCCCC[C@@H](C)NCc1cccc(N(C)C)n1 793552647 ZWUICYAFGQJVNS-OAHLLOKOSA-N 275.440 3.762 30 20 CHED CN(C)c1ccc(C=NNC2CCCC2)c(C(F)(F)F)c1 794506912 VJHHSBZTBBYXJX-UHFFFAOYSA-N 299.340 3.638 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(-c2ccccc2F)o1 791202894 VOKRQWZYOKPOFJ-GFCCVEGCSA-N 285.318 3.617 30 20 CHED CCN(C[Si](C)(C)C)[C@@H](C)c1ccc(C#N)cc1 729267335 RGPNXVDUPZQMLZ-ZDUSSCGKSA-N 260.457 3.819 30 20 CHED CC1(C)CC[C@@H](C(=O)[C@@H](C#N)c2cnc3ccccc3n2)C1 792110833 UOGSXSJSDOYVAQ-OLZOCXBDSA-N 293.370 3.632 30 20 CHED N#CC[C@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 595614673 MIGSUYAUOYQHAF-CYBMUJFWSA-N 289.448 3.926 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1cccc(C#N)c1 797787320 LJKDNMJNJSHRTF-UHFFFAOYSA-N 279.368 3.789 30 20 CHED C#Cc1ccc(C(=O)Nc2c(CC)cc(C)cc2CC)nc1 797359739 AUTYVILGGUARIP-UHFFFAOYSA-N 292.382 3.748 30 20 CHED CC(=NN[C@@H]1CCCOC1)[C@@H](C)c1ccc(Cl)cc1 794536928 UDKMUHIPNHLNOG-IAQYHMDHSA-N 280.799 3.588 30 20 CHED N#Cc1cc(F)cc(NCCc2ccc(F)c(F)c2)c1 1207135706 MFDJRJHYCYKWBI-UHFFFAOYSA-N 276.261 3.630 30 20 CHED C[C@H](OC(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1 792306675 RBWCDLJWWFBCDL-JTQLQIEISA-N 287.265 3.754 30 20 CHED Fc1cccnc1NN=Cc1ccccc1OC1CCCC1 794984007 JBRYXYILHOBTLZ-UHFFFAOYSA-N 299.349 3.988 30 20 CHED CC(=NNc1cncnc1)[C@@H](C)c1ccc(Cl)cc1 794979415 ZDXPKRQFOBRFBN-SNVBAGLBSA-N 274.755 3.722 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc(SC)c(OC)c1 790184007 XLUFADABMLNZEZ-SNVBAGLBSA-N 266.410 3.529 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 1153701882 IBPKBNYTUJFDJO-CQSZACIVSA-N 297.402 3.887 30 20 CHED Cc1nc(C#N)cc(Nc2ccc(COC(C)(C)C)cc2)n1 1306992842 HXZGRSZULPJNJY-UHFFFAOYSA-N 296.374 3.715 30 20 CHED CCC[C@H](CCc1ccccc1)Nc1nc(C)cc(C#N)n1 1306977250 COFAFDUIBFZGMR-MRXNPFEDSA-N 294.402 3.870 30 20 CHED Fc1ccccc1N=C1NN=C(c2cccs2)CS1 1317706986 YIZZKXXDGTTZHF-UHFFFAOYSA-N 291.376 3.615 30 20 CHED C=CCC(CC=C)c1nnc(-c2cccc(C#N)c2)o1 1328429860 RSSPCXKZUCLYIH-UHFFFAOYSA-N 265.316 3.844 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCC(C)(C)CC#N 1325573339 GPULLHSZWQXRIS-QWHCGFSZSA-N 272.392 3.778 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1ccc(C#N)cc1F 1522227785 FKJRXHKTJZIPQL-LLVKDONJSA-N 276.355 3.642 30 20 CHED CC[C@H](CC(C)C)C(=O)OCc1ccc(C#N)s1 1326884699 ADTRRVPIJXUXKU-LLVKDONJSA-N 265.378 3.735 30 20 CHED CCCCCCCCNC(=O)CC#Cc1ccccc1 1320164116 IQSVPFGLXBQOBN-UHFFFAOYSA-N 271.404 3.905 30 20 CHED C=CCn1c(C(F)F)nnc1N1CC=C(C(C)(C)C)CC1 1339829346 KQEDYLNSVUKNBV-UHFFFAOYSA-N 296.365 3.584 30 20 CHED CCC[C@H]1CCCN1C(=O)CC1(C#N)CCCCC1 1336702477 FFEPDYZKLNAWFT-AWEZNQCLSA-N 262.397 3.642 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 1335725852 XFYCSVUIGWYPLJ-NSHDSACASA-N 283.318 3.822 30 20 CHED Cc1ccc(C[C@H](C)NCc2ccc(C#N)c(F)c2)cc1 1255780214 LRYZDZVFZCPTOY-AWEZNQCLSA-N 282.362 3.727 30 20 CHED N#C[C@H](NC(=O)c1ccc2sccc2c1)C1CCCC1 1332691453 ULGOGYABRKCWHK-AWEZNQCLSA-N 284.384 3.713 30 20 CHED CC(C)c1ocnc1CN(C)[C@@H](C)c1cccc(C#N)c1 1332009662 IJAIKOLFLUBOFO-ZDUSSCGKSA-N 283.375 3.863 30 20 CHED C=CCCC(=O)N(Cc1ccccc1)CC1CCC1 102240809 PJCZTNIVGFICNL-UHFFFAOYSA-N 257.377 3.782 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(CC(C)C)s1 1341176597 YGXIJVUBMYUAEZ-GFCCVEGCSA-N 278.421 3.568 30 20 CHED Cc1cccc2c(C(=O)Nc3ccc(C#N)cc3)coc12 1351387432 CRIFQVQLRIOLNS-UHFFFAOYSA-N 276.295 3.865 30 20 CHED CCO[C@H](CC)C(=O)O[C@@H](c1cccs1)[C@@H](C#N)CC 1519365390 LEZXJZCKBFRJQL-YRGRVCCFSA-N 295.404 3.697 30 20 CHED CC(C)C1CCC(CNC(=O)c2sccc2C#N)CC1 1517998916 ZDLCJCKEXVVUET-UHFFFAOYSA-N 290.432 3.812 30 20 CHED N#Cc1ccc(CCOc2cc(F)cc(Cl)c2)cc1 1459206671 VYFJNCHGZCHCDS-UHFFFAOYSA-N 275.710 3.972 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)cc1F)[C@H]1CCC[C@@H](C)C1 1529107587 QYHRKXJFGCSORL-DYEKYZERSA-N 288.366 3.642 30 20 CHED CC(C)[C@H]1N(C(=O)[C@H](CC#N)c2ccccc2)CC12CCC2 1450404598 ZOJRCBGOLGLSHU-IAGOWNOFSA-N 296.414 3.721 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC(CC)(CC)C1 1524061623 LVOOSAHBMPUGTG-UHFFFAOYSA-N 298.381 3.808 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1C#N 1532392970 RMOGLGUUKPAEBV-UHFFFAOYSA-N 295.729 3.644 30 20 CHED CCCN(C(=O)c1sccc1C#N)c1ccccc1F 1539144391 XUINDNFRELKYOM-UHFFFAOYSA-N 288.347 3.816 30 20 CHED O=C(O)c1ccc(C=NNc2ccc(Cl)cc2Cl)o1 1610824528 ZYWRCYDNPUZAOL-UHFFFAOYSA-N 299.113 3.731 30 20 CHED N#Cc1nccnc1NC[C@@H]1CCCC[C@@H]1c1ccccc1 1612384583 ILYSBHXXTDDYBI-JKSUJKDBSA-N 292.386 3.734 30 20 CHED Cc1cccc(CNc2ccc(F)cc2OCC#N)c1F 1474429940 UWAFIVJREMPULA-UHFFFAOYSA-N 288.297 3.788 30 20 CHED CCc1ccc(-c2noc(-c3ccc(C#N)s3)n2)cc1 226760735 INQPGQJLSROANW-UHFFFAOYSA-N 281.340 3.899 30 20 CHED Cc1cc(C)c(/C=C/CN2CC[C@](F)(C#N)C2)cc1C 1560757723 SUMILRLKBQSQHF-BDUNBXCCSA-N 272.367 3.563 30 20 CHED CCC1(CNc2nc(C#N)c(Cl)s2)CCC1 1639582819 RXXDVOAKYSMZMM-UHFFFAOYSA-N 255.774 3.660 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CC[C@@](C)(C(=O)O)C1 1573840628 INPMBKHRPZVGLF-WMLDXEAASA-N 297.439 3.696 30 20 CHED N#Cc1ccc(SCc2cc(Cl)ccn2)cc1 1652613695 ZMVNNNPLRLJHNC-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CCCC[C@H](CCC)CNc1nnc(C)c(C)c1C#N 1650849343 DJGIGFVGOHTOKG-AWEZNQCLSA-N 274.412 3.984 30 20 CHED N#Cc1ccc2nc(NC(=O)CCC3CCCCC3)[nH]c2c1 1595734452 KWNJENZLJKVKAS-UHFFFAOYSA-N 296.374 3.734 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc(F)c(C(=O)O)c1 1776062477 VYNMSLCSLIICHC-LLVKDONJSA-N 278.327 3.748 30 20 CHED C=C[C@H]1CCCN(c2nc3ccccc3c(C)c2C(=O)O)C1 1776150389 OXDKLGPPNAMCJG-ZDUSSCGKSA-N 296.370 3.644 30 20 CHED N#Cc1ccc(OCc2cc(F)ccc2F)c(F)c1 134299652 BOVCHRNOUCOMCR-UHFFFAOYSA-N 263.218 3.555 30 20 CHED COc1ccc(C=NNc2nc3ccccc3s2)cc1 13576752 UYABVUDGGULXKZ-UHFFFAOYSA-N 283.356 3.751 30 20 CHED Cc1cc(C(=O)Oc2ccc(C#N)cc2)c2ccccc2n1 14469873 NFWHJOMJQXCUMT-UHFFFAOYSA-N 288.306 3.634 30 20 CHED CC[C@H]1CCCCN1Cc1ccc(C#N)cc1Cl 162863690 JTOFCYRBMUBWKQ-AWEZNQCLSA-N 262.784 3.976 30 20 CHED C#CCCCCNCc1c(Cl)cccc1Cl 165939154 PFWHQPXDRUPSJY-UHFFFAOYSA-N 256.176 3.887 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Cc1ccc(Cl)cc1 152281203 CBTFYLICSIFZEY-VXGBXAGGSA-N 265.784 3.599 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cc(F)ccc2F)CC1 152950977 HIWNLWMEEQPCKE-ZDUSSCGKSA-N 294.389 3.656 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N(C)CCC(C)(C)C#N 157549144 NIFCLUFOBAHIQW-LLVKDONJSA-N 266.335 3.897 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C1 166721643 KWOIRJGYSWGFOL-WCQYABFASA-N 291.376 3.553 30 20 CHED C#Cc1cccc(NC(=O)c2cc3ccccc3o2)c1 41636820 BBWSTHUQEJNBEU-UHFFFAOYSA-N 261.280 3.666 30 20 CHED Cc1ccc(OCCCOc2ccc(C#N)cc2)cc1 34675076 GVVVGTSXSNPCIZ-UHFFFAOYSA-N 267.328 3.715 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)C2(C#N)CCCC2)CC1 186114852 OORBJZJIDOSCNS-HUUCEWRRSA-N 276.424 3.791 30 20 CHED N#Cc1ccc(NC[C@H]2Cc3ccccc3O2)c(Cl)c1 62790981 WSUMSSVCTFMBCW-CYBMUJFWSA-N 284.746 3.627 30 20 CHED C=C(C)CCN(C)Cc1ccccc1Br 404206365 SASZYAZMXAPIRY-UHFFFAOYSA-N 268.198 3.847 30 20 CHED CCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 312272886 IPNSUGLCVZNBJP-UHFFFAOYSA-N 282.265 3.706 30 20 CHED C[C@H]1CCCC[C@H]1CNc1ncc(C#N)cc1Cl 608885335 LHAOMFQHPMXWNR-JQWIXIFHSA-N 263.772 3.845 30 20 CHED C=CCN(Cc1cccc(Br)c1)C(C)C 517853470 HZWFLQKCYFPMTF-UHFFFAOYSA-N 268.198 3.846 30 20 CHED C[C@@H]1CC(F)(F)CCN1Cc1ccc(C#N)cc1Cl 528774396 VDJZAKCIXLOZTF-SNVBAGLBSA-N 284.737 3.831 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc(F)c(Cl)cc1Cl 700579290 BTLINXQCAMBCFB-QMMMGPOBSA-N 288.149 3.664 30 20 CHED Cc1cc(Oc2ccc(C#N)cn2)c(C)c(C)c1C#N 336830832 CHBKOMCIZHDUTK-UHFFFAOYSA-N 263.300 3.543 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)s1 361749431 DZFYPSYMXKVGRH-NSHDSACASA-N 274.364 3.918 30 20 CHED C=CCCCCN[C@H](C)CCc1ccc2c(c1)OCO2 380393892 OALQMVQJGJQJEG-CQSZACIVSA-N 275.392 3.682 30 20 CHED C[C@@H]1Cc2ncn(CCCCC(C)(C)C#N)c2C[C@H]1C 380688381 DUIUXNIPCOBBND-ZIAGYGMSSA-N 273.424 3.974 30 20 CHED C=CCCOC(=O)c1c(Br)sc(C)c1C 799539808 AWCYUHQDDCZMAB-UHFFFAOYSA-N 289.194 3.860 30 20 CHED C[C@H]1Cc2ccccc2N(Cc2cc(C#N)ccc2F)C1 109586494 WAYQLGJWSNTSNG-ZDUSSCGKSA-N 280.346 3.896 30 20 CHED C=CC1CCN(C(=O)c2ccccc2OC2CCC2)CC1 118227485 DGHQUAWUTAENCC-UHFFFAOYSA-N 285.387 3.656 30 20 CHED CO[C@@]1(C)C[C@H](/N=C/c2cc3ccccc3nc2O)C1(C)C 174033540 VXUFURPPGKUVHR-XQGPJPATSA-N 298.386 3.563 30 20 CHED Cc1ncsc1CN(C)c1cc(Cl)ccc1C#N 111669339 DHSBEJOPYGCNRC-UHFFFAOYSA-N 277.780 3.613 30 20 CHED N#CCC1(COC(=O)c2cc3cc(F)ccc3s2)CC1 174735848 NRMWGXMGGSVFRH-UHFFFAOYSA-N 289.331 3.891 30 20 CHED C#CC[C@H](C)OC(=O)C1c2ccccc2Oc2ccccc21 1343331983 RIJUARZCZHNATG-ZDUSSCGKSA-N 292.334 3.879 30 20 CHED C[C@H](C(=O)NC1(C#N)CCCCC1)c1cc2ccccc2o1 176229115 BNMALBBKVYEKDJ-ZDUSSCGKSA-N 296.370 3.879 30 20 CHED CN(Cc1cccs1)c1cc(Cl)ccc1C#N 62789906 HTUBIJGIUMASMT-UHFFFAOYSA-N 262.765 3.910 30 20 CHED CC[C@H](C)N(C)Cc1cccc(OCCCC#N)c1 179323488 HJQOUORVGGHJHJ-AWEZNQCLSA-N 260.381 3.599 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H](c2ccccc2)CC1 116972453 YYPQZUYVUQXRSP-NVXWUHKLSA-N 286.419 3.930 30 20 CHED C=CC1CCN(c2ncnc3sc4c(c23)CCC4)CC1 301252717 NADLKFDGULWGNC-UHFFFAOYSA-N 285.416 3.582 30 20 CHED C[C@@H](OC(=O)Cc1ccc(F)cc1)c1ccc(C#N)cc1 175796300 YFFWUSKCWKQCKD-GFCCVEGCSA-N 283.302 3.544 30 20 CHED N#CC[C@H](Cc1nnc(C2CCCC2)o1)c1ccccc1 1261431571 GMISMZYFCWSZGR-OAHLLOKOSA-N 281.359 3.967 30 20 CHED CS[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 172355285 BLNZXFNNSDYASK-OAHLLOKOSA-N 282.368 3.601 30 20 CHED O=C(/C=C/c1cccs1)c1ccc(N2CCOC2=O)cc1 64331648 KKODIFWBSBUFBO-BQYQJAHWSA-N 299.351 3.601 30 20 CHED N#CCOc1cccc(CN[C@@H]2CCCc3sccc32)c1 61360059 OSKZPTLRIJEHQZ-MRXNPFEDSA-N 298.411 3.818 30 20 CHED C=CCCCC(=O)N[C@@H](CCC#N)c1ccccc1 178618788 NPNBOYCRJYHVPQ-HNNXBMFYSA-N 256.349 3.504 30 20 CHED N#Cc1cc(F)ccc1N1CCc2ccc(Cl)cc2C1 301849012 CWWQIRXICPATNK-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=CCCCC(=O)N[C@H](CC)c1ccc(F)cc1F 175728871 LKFHGVKAVYDIFZ-CQSZACIVSA-N 267.319 3.888 30 20 CHED N#Cc1cccc(C#N)c1NC[C@H]1CCc2ccccc21 302887232 NQWYKUGBSOJGJO-MRXNPFEDSA-N 273.339 3.572 30 20 CHED CN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 172290580 NVWNDGCYQOSBFD-UHFFFAOYSA-N 277.755 3.618 30 20 CHED CC(C)(C)c1ccccc1NC(=O)NCCCCC#N 171358305 MQIBOZJSJDAURN-UHFFFAOYSA-N 273.380 3.799 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)c1cccc(F)c1 178636515 GCUAXVNKERHYEJ-GFCCVEGCSA-N 282.318 3.748 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 303930093 PMKSEBUDZOLVNC-CHWSQXEVSA-N 289.350 3.603 30 20 CHED COc1cccc(/C=N/CCCOC2CCCCC2)c1O 61242209 BZNJYCZWHAPLAG-QGOAFFKASA-N 291.391 3.559 30 20 CHED CN(C)c1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1 176411294 OOVKPMJBIJDCFO-ZROIWOOFSA-N 281.330 3.714 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66788851 RGGHYXLPYJUILB-PXAZEXFGSA-N 292.338 3.945 30 20 CHED Cc1ccc(CCC(=O)N(CC#N)C2CCCC2)c(C)c1 125220796 BEXAVHFORPLJBS-UHFFFAOYSA-N 284.403 3.531 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1 120059507 BZELZBNNUANZGD-INIZCTEOSA-N 291.354 3.580 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)CCC(C)(C)C#N)C1 119698096 VOZPYCUZPAKQDR-CHWSQXEVSA-N 254.443 3.532 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnn([C@H](C)C2CC2)c1 189653035 UFEGTZPRHVQCBK-QWHCGFSZSA-N 290.411 3.720 30 20 CHED CCN(CCC#N)Cc1cc(C(F)(F)F)ccc1F 127651164 LDARWTKDQNCXPW-UHFFFAOYSA-N 274.261 3.580 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](OCCC(C)C)C1 181414474 GKKVCQTVUKCETC-HZPDHXFCSA-N 296.455 3.578 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(F)cccc1OC 184439675 PKNPPPMXTJFDGX-UHFFFAOYSA-N 263.312 3.541 30 20 CHED C=C(C)CN(C)C(=O)c1cccc(-c2ccccn2)c1C 180402023 SKOVUQVXCFGORI-UHFFFAOYSA-N 280.371 3.705 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 188575334 ULJUICFFINHJAI-HLLBOEOZSA-N 281.440 3.689 30 20 CHED CC[C@](C)(C#N)NC(=O)/C(C)=C/c1ccccc1Cl 125775000 FAZDCNGZMDWVFS-SLZMIMFISA-N 276.767 3.552 30 20 CHED C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCCCC#N 189496027 GHZBNDVWOQLMSS-XJKSGUPXSA-N 292.810 3.796 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)CCCN2 415888848 ULRQVLZWJHNOGC-ZDUSSCGKSA-N 287.407 3.911 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(-c2nc(C)co2)ccc1C 186030892 MNKDWHCZTLZKIZ-UHFFFAOYSA-N 296.370 3.946 30 20 CHED COc1cccc(/C=N/[C@H](C)c2ccc(C)cc2)c1O 126894003 FECDZLVACATIER-VBEHJTROSA-N 269.344 3.889 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1C(C)(C)C 73850199 NGNMTRBUWZJGLW-UHFFFAOYSA-N 275.392 3.905 30 20 CHED CC(C)[C@@H]1CCCN(CCCC2(C#N)CCOCC2)CC1 410369864 GEDJWILJMOZKFP-QGZVFWFLSA-N 292.467 3.845 30 20 CHED CCc1noc(C)c1CSCc1cc(F)ccc1C#N 125868080 UZMDYDQVVGHJIA-UHFFFAOYSA-N 290.363 3.990 30 20 CHED CCC[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 78380320 HBDLBNYFYRHHEC-AWEZNQCLSA-N 258.365 3.678 30 20 CHED N#Cc1ccc(CC(=O)NCCCC2CCCCC2)cc1 504667644 DJIVRFGUQSDBCN-UHFFFAOYSA-N 284.403 3.577 30 20 CHED N#Cc1cc(Cl)ccc1Cn1ccc2ccccc2c1=O 185292765 HBUKCOWULCFGJY-UHFFFAOYSA-N 294.741 3.575 30 20 CHED CC(C)(C#N)CC(=O)NCC1(Cc2ccccc2)CCCC1 503823383 BHPPRRBBZWXEEY-UHFFFAOYSA-N 298.430 3.846 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc(C)cc1C 410124638 KXBVDXOFCYOUBY-MRXNPFEDSA-N 259.393 3.707 30 20 CHED N#CC1(C(=O)Nc2ccc(Oc3ccccc3)cn2)CCC1 120779416 APNBWZUSTSAFQP-UHFFFAOYSA-N 293.326 3.506 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccc2ccccc2c1 122283444 YEGUEYGFXZPENC-CXAGYDPISA-N 294.398 3.998 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1C=CCC1 412843798 SRTAQVNCMNUGPS-SJORKVTESA-N 269.388 3.646 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C)c1csnn1 411263516 SVBBWFPQGPQMDB-GFCCVEGCSA-N 265.426 3.667 30 20 CHED Cc1nc(C)c(F)c(Nc2ccc(C(C)(C)C#N)cc2)n1 507379526 IGZFILBBDHLADA-UHFFFAOYSA-N 284.338 3.777 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C#N)cc1 127815143 RVRHWTGDTPGNKG-SWLSCSKDSA-N 271.364 3.601 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412136637 WMCMBINWABWITR-XOKHGSTOSA-N 298.430 3.993 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CCCC(F)(F)C1 337254261 MEVMSASURZZGAS-LBPRGKRZSA-N 258.356 3.731 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416112650 VZKSJLPPQCPSRD-XVSDVWIESA-N 296.414 3.878 30 20 CHED N#Cc1ccc(CN2CCC[C@H](Oc3ccccc3)C2)s1 414544893 FRRVUJRAIHDBIU-HNNXBMFYSA-N 298.411 3.663 30 20 CHED C=CCCNc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 77241387 NCKWEOOGVXILPZ-UHFFFAOYSA-N 296.370 3.936 30 20 CHED CC#CCCCC(=O)NC(C)(C)Cc1ccccc1C 185457832 LXHLJZBURFNKQU-UHFFFAOYSA-N 271.404 3.626 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(Cl)cc1 49800722 UFXBLJPNZXIXMW-UHFFFAOYSA-N 250.773 3.712 30 20 CHED CCCC[C@H](C)C(=O)Nc1ccc(C#N)cc1C(C)=O 411058904 SIXZRCNOKWUTHJ-NSHDSACASA-N 272.348 3.526 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1ccc(OC(C)C)cc1 44190211 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C=C[C@@](C)(CC)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 191809510 CLCWQGJRSRUBPV-HNNXBMFYSA-N 276.336 3.752 30 20 CHED COc1ccc2c(c1)[C@@H](NCCCCC#N)CCS2 191509807 YYZGCSYPMBEYPO-AWEZNQCLSA-N 276.405 3.516 30 20 CHED Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C)c(C#N)cc1N(C)C 425610726 MQWOKIFFWFEHOY-WFASDCNBSA-N 299.418 3.698 30 20 CHED CCOCC(C)(C)CNc1ccc(Cl)cc1C#N 381168272 JVDKDBRIHDCTLA-UHFFFAOYSA-N 266.772 3.686 30 20 CHED C=CC[C@H]1N(C[C@H]2CCSC2)CCCC1(C)C 425997187 WJNHTTHDOBOOJF-ZIAGYGMSSA-N 253.455 3.806 30 20 CHED CC(C)[C@H](CC(F)(F)F)Nc1ncc2c(c1C#N)CCC2 425250042 CHHKYJBDDFHOPI-ZDUSSCGKSA-N 297.324 3.831 30 20 CHED C#CCCCCC(=O)Nc1ccc(CN(CC)CC)cc1 190547190 YITXZQAKVFJWRH-UHFFFAOYSA-N 286.419 3.661 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(F)c1F 191794815 LJXSZDUDQRBTKX-ZDUSSCGKSA-N 257.255 3.645 30 20 CHED C#CCCCC(=O)N(Cc1ccccn1)c1ccc(F)cc1 192207301 YITWBMBCQXGJSV-UHFFFAOYSA-N 296.345 3.557 30 20 CHED C=C(C)[C@@H](CC(=O)N1c2ccccc2CC[C@H]1C)OCC 339588527 ANLOACNCDHRAKG-RHSMWYFYSA-N 287.403 3.726 30 20 CHED C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc2ccccc2c1 424967879 SRDHPNPZUZCHMW-QWQRMKEZSA-N 292.382 3.752 30 20 CHED CC(C)C[C@H](C)/N=C(/O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 330506464 CZMNELFZDRCKPK-MJBXVCDLSA-N 284.444 3.518 30 20 CHED CC[C@H](/N=C(/O)c1cnc(C(C)C)s1)C1CCOCC1 331307332 FIMDXXWEGJLOCX-LBPRGKRZSA-N 296.436 3.776 30 20 CHED C=CC[C@H](C)NC(=O)C(C)(C)c1ccc(Cl)cc1F 190446254 WBDZXLCPMOBDTD-JTQLQIEISA-N 283.774 3.838 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2ccc(C#N)s2)c1 336100130 NXMGJBSYIQSHQV-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CC1(C)C[C@@H]1C(O)=Nc1csc(-c2ccncc2)n1 330292735 HIPKXZUDHZQTNZ-SNVBAGLBSA-N 273.361 3.839 30 20 CHED C#CCOc1ccc(CNC2(c3ccccc3)CCC2)cc1 236691606 ZCDAXVYLYSIHFC-UHFFFAOYSA-N 291.394 3.868 30 20 CHED CC[C@H](N/C(O)=N/[C@@H](CC)C(C)C)c1c(C)noc1C 330473152 ZLVBFNFZROWNNL-STQMWFEESA-N 281.400 3.681 30 20 CHED N#Cc1c(Cl)cccc1NCCc1nc2ccccc2[nH]1 514518448 PRZURKMAWIWCBE-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2cccs2)cc1 237509190 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C=C(C)[C@H]1OCC[C@@H]1CNCc1c(C)oc2ccccc12 435741243 IHARGHYALWFEFX-RDTXWAMCSA-N 285.387 3.812 30 20 CHED COCCC1CCN([C@H](C)c2ccc(C#N)c(F)c2)CC1 527938051 YAZMIXQGBKLJGF-CYBMUJFWSA-N 290.382 3.507 30 20 CHED COc1cc(C(=O)/C=C\c2cccc(C)c2)c(OC)cc1O 255865693 UXKWJYNKKFIJQC-FPLPWBNLSA-N 298.338 3.614 30 20 CHED CC[C@H](C)[C@@H](C)N(CCOc1cccc(C#N)c1)C1CC1 609204354 JBJAOCRPZCKKAG-LSDHHAIUSA-N 286.419 3.836 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](c1ncc(C)s1)C1CC1 341600709 WDGDIUIYTGVDGE-OLZOCXBDSA-N 293.436 3.557 30 20 CHED N#C[C@H](Nc1cccc2c1OCC2)C1CCCCC1 600887699 RSDZWAOPCMSUJS-HNNXBMFYSA-N 256.349 3.506 30 20 CHED CCOc1cccc([C@H]2C[C@@H]2Nc2nc(C)ccc2C#N)c1 342816664 JBYGJKYUJKNOFF-SJORKVTESA-N 293.370 3.628 30 20 CHED N#Cc1ccnc(N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 343046026 PKENDIXPWYEMIA-SMDDNHRTSA-N 287.725 3.714 30 20 CHED CCO[C@H](C)c1nc(CON=Cc2cccs2)cs1 255759051 IOKWEXZGRFXGBT-SNVBAGLBSA-N 296.417 3.853 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1ccc(F)c(C#N)c1 344379370 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C=CCCC1(C(=O)Nc2ccc(-n3ccnc3)cc2)CC1 354103285 DRMZWSNHVOEUAQ-UHFFFAOYSA-N 281.359 3.557 30 20 CHED CCCCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609985966 SMARVKZCIXCFAX-UHFFFAOYSA-N 293.370 3.832 30 20 CHED Cc1cc(C)cc(N[C@H](C)CC2(C#N)CCOCC2)c1 602482595 FKEOITGDIDHYPW-OAHLLOKOSA-N 272.392 3.814 30 20 CHED COc1ccc2c(c1NCc1cccc(C#N)c1F)CCC2 359027799 KGFKRUYGVCHFDR-UHFFFAOYSA-N 296.345 3.807 30 20 CHED CCOc1cc(C)ccc1CNCc1ccc(C#N)c(C)c1 444002429 NYOQGMWALWKANT-UHFFFAOYSA-N 294.398 3.864 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@H]1C(C)C)c1ccccc1 536156853 DLDPZRXPNPDPKL-RDJZCZTQSA-N 271.404 3.993 30 20 CHED C[C@H](C(=O)NCCCCC#N)c1ccc(Cl)c(Cl)c1 266856051 FGZOPQZECLHTKA-JTQLQIEISA-N 299.201 3.907 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](OC)[C@H](C)CC)c1ccccc1 356519280 MIJWEFLNBKLKIA-PVAVHDDUSA-N 289.419 3.871 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCC(C)(C)C#N 611553994 AOTVFDKQSOBGAX-GHMZBOCLSA-N 262.319 3.589 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 354887700 IDPZLWANGAZNRD-CJNGLKHVSA-N 299.418 3.572 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2)s1 358228600 VXEBMAKQDHHVBT-UHFFFAOYSA-N 280.711 3.665 30 20 CHED COc1cc(C#N)ccc1OCCSCc1ccccc1 353764387 XVSWNLBACOLIGE-UHFFFAOYSA-N 299.395 3.879 30 20 CHED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)Oc1ccccc1 447541117 LDBMKNSVYRTLRN-HUUCEWRRSA-N 272.392 3.516 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CC12CCCC2 533045456 KGJPWGDPZHLPOB-SJLPKXTDSA-N 296.414 3.598 30 20 CHED Cc1cccc(C)c1OCCN[C@H](C)c1cccc(C#N)c1 538394210 RUURMNQTZMQBAG-MRXNPFEDSA-N 294.398 3.905 30 20 CHED C=CCn1cccc1C(=O)Nc1nc(C2CCC2)cs1 444527681 SZNGBIKOLWWTEN-UHFFFAOYSA-N 287.388 3.650 30 20 CHED Cc1nc(Nc2ccc3n[nH]cc3c2)c(Cl)cc1C#N 359842137 PACWVFHUXPJGHE-UHFFFAOYSA-N 283.722 3.535 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(-c2ccccn2)cc1 353983651 NDHKBCXUFZKCEB-UHFFFAOYSA-N 294.358 3.516 30 20 CHED COc1ccccc1[C@H]1CCCCN1c1ccc(C#N)cn1 611204149 SZVYAGFYTHVZCB-MRXNPFEDSA-N 293.370 3.693 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCSc2ccc(F)cc21 618887926 JDQOKOJQAZYHQZ-FZMZJTMJSA-N 278.396 3.892 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C3CC3)nc2C)C1 617778869 PXIMRRYOALZGHC-AWEZNQCLSA-N 284.403 3.696 30 20 CHED CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H]1CC1(C)C 458846162 QRAKUVCIVVEWTN-HOTGVXAUSA-N 299.418 3.861 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(Cl)c(OC)c1 455294869 DLIXFXYETPNNBH-UHFFFAOYSA-N 282.771 3.682 30 20 CHED C=CCN(Cc1ccccc1OCC(F)(F)F)C1CC1 536745303 NXHBVOUUJXLBQK-UHFFFAOYSA-N 285.309 3.778 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C3=CCCC3)cc2)nc1 361855907 SSCDOHGZADOQKX-UHFFFAOYSA-N 289.338 3.773 30 20 CHED C=CC[C@H](CO)CN[C@H](c1ccccc1)c1ccc(F)cc1 538196097 WZASAEVTHDUISX-HNAYVOBHSA-N 299.389 3.689 30 20 CHED C#CCN(CC)C(=O)N[C@H](CC)c1ccc(Cl)s1 265101614 BBZKSSSOZQGZDP-SNVBAGLBSA-N 284.812 3.517 30 20 CHED C#C[C@@H](C)OC(=O)CC1c2ccccc2Oc2ccccc21 1342622901 VIKBPMUQJHONEN-CYBMUJFWSA-N 292.334 3.879 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCc2ccc(C)s2)C1 617778240 BFWCKTBAVNVRIL-AWEZNQCLSA-N 277.433 3.804 30 20 CHED C[C@H](NC(=O)C1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 611540504 OSNQFEJDBUCQSB-MCIONIFRSA-N 284.403 3.808 30 20 CHED COc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(C#N)c1)CC2 610829986 VRSTZQYOGIBKMG-ORAYPTAESA-N 292.382 3.905 30 20 CHED CC(C)(C)C[C@@H](Nc1nccc(C#N)n1)c1ccccc1 450349115 NBNBUADVLURXTB-OAHLLOKOSA-N 280.375 3.938 30 20 CHED N#Cc1ccc(Sc2ncnc3sccc23)c(F)c1 361296390 JXUFROWTBFQUQJ-UHFFFAOYSA-N 287.344 3.853 30 20 CHED CC(C)c1ncsc1C(=O)Nc1cccc(CC#N)c1 456757689 UMCLSHRKRCAHPR-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C#CC[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 270259581 VSYWYFAVUGISEG-IBGZPJMESA-N 278.399 3.607 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 451446893 AKDRCMSCCXUODP-NRXGSXMXSA-N 296.414 3.756 30 20 CHED C[C@@H](SC1CCC1)C(=O)N(CCC#N)c1ccccc1 450994226 YEHUTFPYMYXKMP-CYBMUJFWSA-N 288.416 3.607 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cc2ccccc2o1)C1CC1 271545719 ZOAASTGAYMLVCH-LBPRGKRZSA-N 284.359 3.854 30 20 CHED C[C@H](CC(=O)NCCCC#N)c1cccc(C(F)(F)F)c1 273058533 SJNMXVZTRMWAOC-LLVKDONJSA-N 298.308 3.619 30 20 CHED CCc1ccccc1-c1noc(-c2cc(C#N)cs2)n1 546318964 XYXBUDYARDEXPB-UHFFFAOYSA-N 281.340 3.899 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)C1(C#N)CCCC1 366956699 VVHAMLJMFKAIHG-NVXWUHKLSA-N 296.414 3.865 30 20 CHED C=CCC1(C(=O)NCCCSCC)CCCCC1 451470359 YINZBCPDKUXQIC-UHFFFAOYSA-N 269.454 3.772 30 20 CHED C=CCCCCCN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 451477731 IMUPLPJIALVAOW-RBSFLKMASA-N 251.414 3.526 30 20 CHED CC[C@H](NCC[C@@H]1CCO[C@@H](C)C1)c1ccc(C#N)cc1 278693456 KNWMMAZVZQTHQH-DAYGRLMNSA-N 286.419 3.804 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(F)c(Cl)c1F 452776866 SPTUYAHGLJBXCO-UHFFFAOYSA-N 273.710 3.560 30 20 CHED CC(C)(C#N)c1nc(CCCc2ccccc2Cl)no1 546425286 HVYLMFXPFKWNCJ-UHFFFAOYSA-N 289.766 3.699 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H]1C 460558270 XLJMMALNZVZLDY-AWEZNQCLSA-N 282.391 3.510 30 20 CHED COc1cccc(CC2CCN(CCCCC#N)CC2)c1 374605889 QZIYKJOGXFROKX-UHFFFAOYSA-N 286.419 3.644 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1ccsc1 620858428 GQHLZBVOWOJTGK-NSHDSACASA-N 251.395 3.713 30 20 CHED Cc1ccc(CN(C)C)cc1N[C@H]1CCC[C@H](C#N)C1 463298260 VKESBRNBVPZDND-HOCLYGCPSA-N 271.408 3.551 30 20 CHED C=CCN(C)C(=O)CCC[C@@H](C)c1cccc(OC)c1 469256384 KHBAVFHOLXUZHB-CQSZACIVSA-N 275.392 3.613 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCSc2ccccc2)C1 463294579 ULWMFGHTFZIGJV-LSDHHAIUSA-N 274.433 3.841 30 20 CHED COc1cccc2c1CCC[C@@H]2NCC(C)(C)CCC#N 554077037 LOHCGMONULJGIT-INIZCTEOSA-N 286.419 3.992 30 20 CHED Cc1occc1SCCCC1(C#N)CCOCC1 280974363 LFLJIYOJUWNHLA-UHFFFAOYSA-N 265.378 3.781 30 20 CHED N#Cc1ccnc(N[C@H]2CCC[C@H]2c2ccccc2)c1 553058773 NRSXCLRDWIQMBJ-HOTGVXAUSA-N 263.344 3.701 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(F)c1Cl 287857481 WHEHGZDYJCWLHQ-UHFFFAOYSA-N 270.735 3.909 30 20 CHED CC#CCCCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 466232308 BOFZGWUKBOMUCG-KRWDZBQOSA-N 296.414 3.859 30 20 CHED C=CC[C@@H](C)N[C@@H](COC)c1cccc(Cl)c1F 558260078 XGDXXLFELVELFM-MFKMUULPSA-N 271.763 3.721 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/Cc2ccccc2C1=O 281117423 ZTRMTALPZAMMNC-ZROIWOOFSA-N 266.344 3.595 30 20 CHED CC(C)c1ccoc1C(=O)N[C@@H](C#N)C1CCCCC1 284368704 ZUNUFVYVRVLTJG-AWEZNQCLSA-N 274.364 3.605 30 20 CHED Cc1cc(Nc2ccc(C#N)cn2)nn1C1CCCCC1 290732651 QRJWKTUWISDGJZ-UHFFFAOYSA-N 281.363 3.707 30 20 CHED N#Cc1nc(F)ccc1OCc1ccc2ccccc2c1 808049292 LEWWROAWBPZRCC-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C=CCCCC(=O)Nc1ccc2nn(C(C)C)cc2c1 479639596 TWCSFMPUQSRKJO-UHFFFAOYSA-N 271.364 3.912 30 20 CHED CCCC[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 558627691 PQAIAUGFTGGGHE-ZDUSSCGKSA-N 276.355 3.899 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(C#Cc2ccccc2)cc1 805775531 HQQONIWMVUGPFN-UHFFFAOYSA-N 289.334 3.545 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 474083707 XLXJODGUXIOSDT-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)cnc1Cl 297839874 WLHFADZVMBJTHY-GFCCVEGCSA-N 273.163 3.929 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCc2ccccc2C1 644641870 QQIVYLPVIYEHIH-AWEZNQCLSA-N 271.404 3.510 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1oc(CCC)nc1C 292526292 FFWGUWYNFNVAKQ-UHFFFAOYSA-N 298.386 3.764 30 20 CHED C=CCOCCCN1CCC[C@@H]1/C=C/c1ccccc1 470777361 UXINCCHXZVZJJM-IENJSVCTSA-N 271.404 3.757 30 20 CHED C=CCN(CCC#N)C(=O)c1cc2cccc(C)c2s1 292223291 CIXAYGJYJMJATQ-UHFFFAOYSA-N 284.384 3.752 30 20 CHED CC(C)[C@H](C#N)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 701309321 RVRJCPKESCOQJB-OOPCZODUSA-N 297.185 3.671 30 20 CHED C=CCCCCS[C@@H](Cc1ccc(Cl)cc1)C(N)=O 568234785 SNLBHDPZEPKJPQ-AWEZNQCLSA-N 297.851 3.826 30 20 CHED C[C@@H]1CC(=NNc2cnnc3ccccc23)c2ccccc21 807972904 JXDIRRKGDBKBDL-GFCCVEGCSA-N 288.354 3.953 30 20 CHED Cc1cc(CNCCCc2ccccc2F)ccc1C#N 475563863 HFUNKPBOODCGCG-UHFFFAOYSA-N 282.362 3.728 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H]2CCCF)cc1 800967107 IFDBYYRZCUOXCF-CVEARBPZSA-N 260.356 3.566 30 20 CHED C=CC[C@@H](CC)N[C@H](C)Cc1ccc(OC)c(OC)c1C 560536270 JVOLVIIKEGZDKK-CZUORRHYSA-N 291.435 3.888 30 20 CHED N#CCCCCN[C@H](Cc1ccccc1Cl)C1CC1 293754731 OKRUBICRZLHXMD-MRXNPFEDSA-N 276.811 3.945 30 20 CHED Cc1cccc(-c2noc(-c3ccccc3OCC#N)n2)c1 809254201 MBDIPFVKBUYYCZ-UHFFFAOYSA-N 291.310 3.614 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1c1ccc(C)cc1 488397292 NHULZXWAXRBZSB-QGZVFWFLSA-N 294.398 3.960 30 20 CHED C=CC[C@@H](C)NCc1c(F)cccc1OC(F)(F)F 560049140 UHYDUDQGYCBJJW-SECBINFHSA-N 277.261 3.779 30 20 CHED CC(C)n1cncc1C=NNc1ccccc1C(F)(F)F 819801307 PGZYLFBBCKOWCW-UHFFFAOYSA-N 296.296 3.929 30 20 CHED CN(CC(C)(C)C#N)c1ccc(C(F)(F)F)c(Cl)n1 814373872 YAMQSIIXUUXMLO-UHFFFAOYSA-N 291.704 3.740 30 20 CHED C[C@H]1C(=NNc2c(F)cccc2Cl)CC[C@H]1CC(=O)O 814905564 ZDWNYDUMAQLPQP-BDAKNGLRSA-N 298.745 3.768 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 569199786 ASPXVYLYPDMYFZ-GDBMZVCRSA-N 297.402 3.909 30 20 CHED C#C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)C(C)(C)C 813775944 OACWHKAGNWGICU-MRXNPFEDSA-N 283.415 3.663 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H](C)c1ccncc1 657901818 XQVKAENTSJOREA-UAGQMJEPSA-N 258.409 3.910 30 20 CHED C=C[C@H]1CCCCN1C(=O)COc1ccc(C(C)C)cc1 488843721 VXCFZEQVOCOQKY-INIZCTEOSA-N 287.403 3.756 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccsc1 812241598 KJXBIPGIQTUQGW-RQOWECAXSA-N 262.305 3.792 30 20 CHED C=CCc1ccc(OC[C@@H](O)CCC(C)C)c(OC)c1 481707168 NDGKKJNAYZPATO-HNNXBMFYSA-N 278.392 3.600 30 20 CHED C=C1CCN(Cc2ccc(OCc3ccccc3)nc2)CC1 570823233 IULUUSNHFDQIJE-UHFFFAOYSA-N 294.398 3.813 30 20 CHED C=CCCC(CCC)=NNc1nc(O)c2ccccc2n1 814868605 AEDHAKCSRUEOOP-UHFFFAOYSA-N 284.363 3.870 30 20 CHED C(=NOCCC1CC1)c1ncc(-c2ccccc2)s1 814246758 XNHTZYRTHWOSOC-UHFFFAOYSA-N 272.373 3.961 30 20 CHED C=CCC[C@@H](C(=O)Nc1ncc(C)o1)c1ccccc1 489079309 SEDHCNDYOIRMTE-CQSZACIVSA-N 270.332 3.672 30 20 CHED C=CCCCCCSCCn1nc(C)cc1C 485561150 NMZBDBUHKUDPRB-UHFFFAOYSA-N 252.427 3.980 30 20 CHED CC[C@H](CNC(=O)c1cccc(F)c1C#N)c1ccccc1 487764650 YUAKMHDYTAMXIL-CYBMUJFWSA-N 296.345 3.621 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](CCCCC)C(C)C 816803156 OMBZRCYJFUGOHQ-HNNXBMFYSA-N 264.413 3.767 30 20 CHED CC(C)(C)CCC(=O)N(CCC#N)c1ccc(F)cc1 570858633 FAEHOTINQCARIW-UHFFFAOYSA-N 276.355 3.899 30 20 CHED C=C(C)CCc1noc([C@@H]2CCc3cc(C)ccc3O2)n1 572406585 IXZLRZGURBSAGY-HNNXBMFYSA-N 284.359 3.953 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3cc(F)ccc31)CC2 571368768 VIPHHFVGEQCHIF-OALUTQOASA-N 292.357 3.962 30 20 CHED N#Cc1nccnc1Oc1ccc2c(c1)[nH]c1ccccc12 726591212 JRYGDMJUFGETKU-UHFFFAOYSA-N 286.294 3.775 30 20 CHED C=CCN(C(C)C)S(=O)(=O)/C=C\c1ccccc1Cl 727450262 YWCGIEQFMGZWDN-LUAWRHEFSA-N 299.823 3.537 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1csc(CCC)n1 821439880 PDWVIVUOJLELMX-UHFFFAOYSA-N 267.394 3.741 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(OC(F)F)cc1 490039485 MTIBDAHNQJCNTE-UHFFFAOYSA-N 283.318 3.620 30 20 CHED COc1cc(C#N)ccc1COc1ccc(F)cc1Cl 499309799 LTRAVIBJOJTQRK-UHFFFAOYSA-N 291.709 3.938 30 20 CHED Cc1ccccc1C1(C/N=C/c2cccc(O)c2O)CC1 726429250 LURZMHVTWPAMOZ-YBFXNURJSA-N 281.355 3.557 30 20 CHED CC(C)C#CC(=O)N1CCC[C@@H]1c1ccccc1Cl 822835262 JPCCJWQCTPRSMY-OAHLLOKOSA-N 275.779 3.663 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H]1CCO[C@H](C(C)C)C1 820571674 NTATWARJDFUSCK-KGLIPLIRSA-N 268.397 3.583 30 20 CHED CN(C(=O)/C=C\SCc1ccco1)c1ccc(C#N)cc1 492203726 FUDAXMIFVMPDNF-NTMALXAHSA-N 298.367 3.561 30 20 CHED Fc1cccc(F)c1C=NNc1c(F)cccc1F 735615058 KAXWGPIZMBIZPM-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C=CCC1(N[C@@H]2Cc3ccc(Cl)cc3C2)CCOCC1 668551423 MSCBANWIJKDLGC-MRXNPFEDSA-N 291.822 3.522 30 20 CHED CCCCNN=C(C)c1ccc(OC)c(Br)c1 915969341 IODFYLWVGYLXPN-UHFFFAOYSA-N 299.212 3.571 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 736400561 YJTPPHRLSRGODS-AJNGGQMLSA-N 296.842 3.739 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)COc2ccccc21 730733132 UQNMLGSIMDFQBK-FLIBITNWSA-N 272.250 3.624 30 20 CHED CC(C)(C)[C@@H](NC(=O)C#CC1CC1)c1ccc(F)cc1F 837464599 JYLZUFKKGSDKIN-INIZCTEOSA-N 291.341 3.582 30 20 CHED CCCNc1ccc(C#N)cc1NCCSCC 834594580 RVYDGPVFEJXZJK-UHFFFAOYSA-N 263.410 3.545 30 20 CHED C=CC[C@@H](NC(=O)N[C@H]1CC[C@H](C)CC1)c1ccncc1 734669343 UQLFLMGAGUYXTG-FVQBIDKESA-N 287.407 3.577 30 20 CHED N#CC1(C(=O)N2CCC[C@H](c3ccccc3)C2)CCCCC1 584131668 MXSYOAWBFNFNRK-KRWDZBQOSA-N 296.414 3.867 30 20 CHED CCOC(=O)C(C)(C)ON=C[C@H](C)CCc1ccccc1 835005255 UTGRDBFAHVZTEN-CQSZACIVSA-N 291.391 3.599 30 20 CHED C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1 903428222 NNPXAJROWOKJBR-ACJLOTCBSA-N 277.371 3.755 30 20 CHED C=CCC1(C(=O)O[C@@H]2CCc3cccnc32)CCCC1 835342702 SGMXHXREGIRYHR-CQSZACIVSA-N 271.360 3.749 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)c1ccccc1F)c1ccncc1 734460343 OXKMCOVKGFSFOP-CXAGYDPISA-N 298.361 3.758 30 20 CHED N#CC1(CN[C@H]2CCc3cc(Cl)ccc32)CCC1 903032838 ZVWHMWIVDRDNOM-AWEZNQCLSA-N 260.768 3.611 30 20 CHED C=C(CNC(=O)Cc1cc(C)ccc1C)c1ccccc1 672482060 OMMDVRRUGQDJSQ-UHFFFAOYSA-N 279.383 3.676 30 20 CHED C=CCc1ccc(OCc2ccc(OCC)cn2)c(OC)c1 674863347 IEEBRWZVDSLAPE-UHFFFAOYSA-N 299.370 3.796 30 20 CHED CCC#C[C@@H](C)Sc1nnc(-c2ccc(C)cc2)n1C 677131998 VQBLVAZOTLYBQH-CYBMUJFWSA-N 285.416 3.685 30 20 CHED Cc1cccc(NN=C2CCN(Cc3ccccc3)C2)c1 839383694 NFRQCUANUCCHRF-UHFFFAOYSA-N 279.387 3.669 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3ccccn3)C2)CCCCC1 831190993 MGVCYJBNWQFILG-MRXNPFEDSA-N 298.430 3.924 30 20 CHED CSc1ccccc1C(=O)/C=C\c1ccc(F)nc1 588618368 PLVLVTURVYMJSW-VURMDHGXSA-N 273.332 3.839 30 20 CHED CCCCCCCCN[C@H](C)C1(OC)CCOCC1 834630043 SZLAYYHVIGSRHD-OAHLLOKOSA-N 271.445 3.521 30 20 CHED Fc1ccc(NN=C2CCC(OC3CCCC3)CC2)nc1 834957353 VCFMYQSDIULGJA-UHFFFAOYSA-N 291.370 3.890 30 20 CHED COc1ccsc1C(=O)/C=C\c1csc([N+](=O)[O-])c1 588489023 JESSCVZFUQLVGW-IHWYPQMZSA-N 295.341 3.623 30 20 CHED CSCC1CCC(=NNCCC(C)(C)C)CC1 834968262 GKTARLSWMYDLJX-UHFFFAOYSA-N 256.459 3.921 30 20 CHED C=C(CNC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 672599352 MGUWFSLKBXMVHY-UHFFFAOYSA-N 288.297 3.800 30 20 CHED COc1ccnc(NN=C2CCCC[C@H]2c2ccccc2)n1 914696760 MPFOYCLVLMXNPS-AWEZNQCLSA-N 296.374 3.611 30 20 CHED CC(C)c1ncsc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839061661 FTVBKFDPVUNYPA-GHMZBOCLSA-N 278.377 3.506 30 20 CHED CC/C(C)=C\C(=O)OCc1cc(Cl)ccc1OCC#N 838043617 XJSLWQKFTZRENC-FLIBITNWSA-N 293.750 3.642 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C/C=C\c1ccc(C(C)C)cc1 594086244 QTTAVCPHJSMJPY-TUYSUELWSA-N 284.403 3.974 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1cccc(F)c1 745625675 YWXXZRLMQOUANP-UHFFFAOYSA-N 286.310 3.645 30 20 CHED COCCN(C)N=C1CCC[C@@H]1Cc1ccc(Cl)cc1 834976924 CPKDTILBKVIHJZ-CQSZACIVSA-N 294.826 3.617 30 20 CHED C#CC1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 831047415 QBRVYPZITZMQMD-UHFFFAOYSA-N 296.292 3.583 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cncc(Cl)c1 598621112 FOBOLQUOWDPPQJ-LBPRGKRZSA-N 285.778 3.800 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCC1CCOCC1 749187473 MLLFDOGZRYHDAC-OAHLLOKOSA-N 298.471 3.709 30 20 CHED C#CCN(C(=O)NCc1ccccc1CC)C1CCCCC1 741091928 KELNQWQVWRLHGX-UHFFFAOYSA-N 298.430 3.727 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]([C@H]2CCCCO2)C1 595784877 CEELIBHWNWTDEU-IAGOWNOFSA-N 292.467 3.988 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2C)c1 749339626 CBDBHYZVCGLMPT-QGZVFWFLSA-N 293.366 3.772 30 20 CHED C=C(C)CONC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 846536053 QNPULELGMDNUOP-HOTGVXAUSA-N 297.439 3.766 30 20 CHED Cc1cc(OCC2(CC#N)CC2)c2ccccc2n1 596280607 ZRIXZQAFHSCQKX-UHFFFAOYSA-N 252.317 3.616 30 20 CHED CCc1nc(C#N)cc(N[C@@H](c2ccccc2C)C2CC2)n1 596123548 OPYCSXVMABANPQ-GOSISDBHSA-N 292.386 3.782 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)C1CCCCC1 741466541 UYEBTFVTJIYKGT-PBSOMRJOSA-N 261.365 3.789 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cnc(C(C)(C)C)nc1)C2=O 840716710 ALFBHWWPOWLLKL-OVCLIPMQSA-N 292.382 3.905 30 20 CHED CCCCCCCCCNC(=O)NCc1ccc(O)cc1 916194225 MVKHNMOXEJPACO-UHFFFAOYSA-N 292.423 3.942 30 20 CHED C=CCN(CC=C)CC(=O)Nc1ccc(C(C)(C)C)cc1 916622730 JBYPFSLZKHWGDE-UHFFFAOYSA-N 286.419 3.597 30 20 CHED CC[C@H]1CCCCC1=NNc1ncc(Br)cn1 848420975 OAYJEWMCAKLNPR-VIFPVBQESA-N 297.200 3.607 30 20 CHED CC(C)(C)OCCSCCc1ccc(C#N)cc1 596336474 XJEBPQPFDRAQRF-UHFFFAOYSA-N 263.406 3.649 30 20 CHED C[C@H](c1ccccc1)N(C)CCc1ccc(C#N)cc1 595290648 XYEJRISLFIYWBB-OAHLLOKOSA-N 264.372 3.794 30 20 CHED N#CCCCCOC(=O)C1(c2ccccc2F)CCCC1 912956589 MLAWGVXYHGFONK-UHFFFAOYSA-N 289.350 3.875 30 20 CHED COc1ccc(-c2ccc3c(c2)CCO3)cc1C1(C#N)CC1 592987807 CYTDEYROJCHESE-UHFFFAOYSA-N 291.350 3.852 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[C@@H](CC#N)C2)c1 595501547 MIUIHMSJUGDCFB-CVEARBPZSA-N 299.418 3.700 30 20 CHED Cc1ccc(CON=Cc2ccccc2OC(C)C)cn1 848507667 SDVPSPGYTVRELM-UHFFFAOYSA-N 284.359 3.728 30 20 CHED N#CCCCCCc1nc([C@H]2CSc3ccccc32)no1 590778582 OBKKPETUGGIDPZ-ZDUSSCGKSA-N 299.399 3.934 30 20 CHED N#C[C@H](C(=O)[C@H]1CC12CCCC2)c1nc2ccccc2o1 747477528 BDODTRACXJXYNB-VXGBXAGGSA-N 280.327 3.584 30 20 CHED Cc1c(Cl)cc(NC(=O)c2cc(C#N)c[nH]2)cc1Cl 590549146 BHIPIZPPWRUTMN-UHFFFAOYSA-N 294.141 3.754 30 20 CHED COc1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1F 746124667 QTWIEAGHZGSWCQ-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED CCCON=C(C)c1ccc(NC(=O)N(CC)CC)cc1 842565720 MJFCJAXLWBZQCZ-UHFFFAOYSA-N 291.395 3.711 30 20 CHED C=CCC(C)(C)C(=O)N1CCn2c(Cl)ccc2[C@@H]1C 848086134 DKOLVTGJHNSXHL-NSHDSACASA-N 280.799 3.647 30 20 CHED Cc1cc(C)c(C=NNc2cccc(C(=O)O)c2)cc1C 916255090 AHTNCTGAMQBLMN-UHFFFAOYSA-N 282.343 3.756 30 20 CHED C=CCCCCNc1cc(C[S@](C)=O)ccc1Cl 590777670 FAGROEXVHPBWJB-SFHVURJKSA-N 285.840 3.987 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1sc2cc(F)ccc2c1C 594091370 LFGRDKMQVBXBOC-NSHDSACASA-N 290.363 3.723 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CCC)CCc1ccccc1 743621048 WJQVCEBPKVEKCK-HNNXBMFYSA-N 294.826 3.840 30 20 CHED C=CCCSCCNCc1ncc(C(C)C)s1 594960338 OMJPEEURTHXQNZ-UHFFFAOYSA-N 270.467 3.665 30 20 CHED CC(=NN=C[C@@H](C)CCc1ccccc1)c1cnccn1 749165349 UTXKZYINFFZACC-AWEZNQCLSA-N 280.375 3.540 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1cnc(C(C)(C)C)nc1)C2 841487854 BFRZXEROKXUQLU-NVNXTCNLSA-N 292.382 3.905 30 20 CHED N#Cc1ccc(-c2ccccc2CC2(C(=O)O)CC2)s1 594872669 DUSNTHSEYTUJMK-UHFFFAOYSA-N 283.352 3.694 30 20 CHED COc1ccc(-c2cccc(C#N)c2)cc1N1CCCC1 592989417 WCOQSVQPLXGOTR-UHFFFAOYSA-N 278.355 3.834 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCCN(c2ccccc2)C1 925069090 DEGWVKHAOAMISM-CVEARBPZSA-N 285.435 3.573 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C)c1cc(OC)ccc1O 845972494 QXYNCYXAHPDDPW-QWHCGFSZSA-N 263.381 3.796 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@](C)(CC)C2)c1 743022156 PCKHLBDSFQEMDD-KRWDZBQOSA-N 286.444 3.877 30 20 CHED C[C@H]1CN(c2c(F)cc(C#N)cc2F)Cc2ccccc21 748793641 CGUKBGAEBXOFCH-NSHDSACASA-N 284.309 3.960 30 20 CHED C=C(C)CNC(=S)Nc1cc(SC)ccc1Cl 849274424 YLOABKROOJBOCJ-UHFFFAOYSA-N 286.853 3.924 30 20 CHED Clc1cccc2c1CCCC2=NO[C@@H]1CCCCO1 758129207 NCEUIIRTUMLJOG-OAHLLOKOSA-N 279.767 3.924 30 20 CHED C[C@@H](NN=C1CCOc2c(F)cccc21)c1ccccc1 921259697 GUFLTHYDCRJLJO-GFCCVEGCSA-N 284.334 3.663 30 20 CHED C/C(=C/C(=O)N[C@H](C#N)C1CCCCC1)c1cccs1 857602505 PVODOAOKXCIHTL-GAJOTYCWSA-N 288.416 3.740 30 20 CHED CS/C=C\C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 751581144 XURVQGBADHWAPH-CMUBDUJZSA-N 288.416 3.542 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3c(c2)nnn3C)c(C)s1 751033851 VQHDKCCZLXDHCI-FNORWQNLSA-N 297.383 3.543 30 20 CHED C#CCOc1ccc(CN[C@H](CC#C)c2ccccc2)cc1 756998041 QICMFYXECOWUGC-HXUWFJFHSA-N 289.378 3.553 30 20 CHED CCCCCCCNc1ccc(F)c(C(=O)N(C)C)c1 753127438 VPCLHRBAHUPIKE-UHFFFAOYSA-N 280.387 3.910 30 20 CHED COC(=O)Nc1cccc(N[C@@H](C)CC(C)(C)C#N)c1 925756898 BQSAEZWLOHUZNB-NSHDSACASA-N 275.352 3.605 30 20 CHED C=CC(C)(C)CCOC(=O)/C=C\c1cncc(C)c1 851299699 VUDLVFBSVPEZFD-SREVYHEPSA-N 259.349 3.549 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 757953995 XMSILRNEMIUAJY-XJKCOSOUSA-N 286.444 3.779 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2ccccc2OCC)c1 920173903 XGVBWOBSGMGLRM-CPNJWEJPSA-N 299.370 3.809 30 20 CHED C#CCCCCCC(=O)Nc1ccc(O)cc1SC 754482186 BTUQGVAQHQZVLZ-UHFFFAOYSA-N 277.389 3.636 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1cc(CC)cnc1O 851143139 IZOGXGPIPJRIRK-ZFWWWQNUSA-N 289.375 3.641 30 20 CHED C[C@H](C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 751973318 JZVKPRCRGNNNDA-LBPRGKRZSA-N 283.302 3.544 30 20 CHED CCCCCCCNC(=O)NCc1c(CC)noc1CC 858110704 HAQFXPATCXULSL-UHFFFAOYSA-N 295.427 3.569 30 20 CHED CC(C)c1cccc(C=Nn2c(S)nnc2C(C)C)c1 853270813 NLTNUWNFYMKTRE-UHFFFAOYSA-N 288.420 3.696 30 20 CHED CC(C)[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)c1cccnc1 851204251 NIHYKBCMXSWTED-DZGCQCFKSA-N 288.391 3.693 30 20 CHED C=C[C@H](OC(=O)[C@H]1CCO[C@@H](CC)C1)c1ccccc1 851451620 KCUJMMDROGRIGB-JYJNAYRXSA-N 274.360 3.662 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1cc(F)cc2ccoc12 931304610 ULGNQHWSMAOPLF-MRXNPFEDSA-N 288.322 3.630 30 20 CHED COc1ccc(NN=Cc2nccc3ccccc23)cc1 750923082 ULWXXDOAJKUUOK-UHFFFAOYSA-N 277.327 3.689 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnc(Br)cc1C 933842035 WSOGUZXXGDETNR-SNVBAGLBSA-N 297.196 3.693 30 20 CHED Fc1cccc(F)c1-c1n[nH]cc1C=NNc1ccccc1 755461572 GYEYXFRJNAOOHK-UHFFFAOYSA-N 298.296 3.801 30 20 CHED C=C(C)CN1CCCCC[C@H]1C[C@H](O)c1ccccc1 751558565 CFGPNGISUVMKBE-ROUUACIJSA-N 273.420 3.931 30 20 CHED C#CCN(C(=O)N[C@@H](CCC=C)c1ccccc1)C1CC1 764738777 NFKHGANTXLFDJS-KRWDZBQOSA-N 282.387 3.501 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2ccc(C)c(C)c2)c1 763170991 KXCWBBNWQJULFV-VOTSOKGWSA-N 284.311 3.579 30 20 CHED C#CCCN1CCN([C@@H](C)c2ccc3ccccc3c2)CC1 762294970 UQXNWICKBJXBRU-KRWDZBQOSA-N 292.426 3.542 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(C)cc1O 769840979 QQBRSCKXWYTRAX-UHFFFAOYSA-N 272.323 3.984 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H]1CCc2ccccc21 860197679 DULWEUNFXLLWLM-AWEZNQCLSA-N 257.333 3.547 30 20 CHED N#CC1(CCCCN2CCC(c3ncco3)CC2)CCC1 931442431 HHJMQAKGQONSFF-UHFFFAOYSA-N 287.407 3.718 30 20 CHED C[C@@H]1CC(=NNc2cnn(C)c2)C[C@H](c2ccccc2)C1 761868081 VXDNJVVOUOQFOD-DZGCQCFKSA-N 282.391 3.792 30 20 CHED CCCCC[C@H](C(=O)Nc1cc(CC#N)ccn1)C(C)C 763906944 CKYBVCCIQQMAQC-HNNXBMFYSA-N 287.407 3.939 30 20 CHED Cc1cc2ccccc2nc1NN=C[C@H](C)CCC#N 766028719 GLWDUWGEJGJILX-GFCCVEGCSA-N 266.348 3.881 30 20 CHED N#CCc1cccc(N2CCC(c3ccsc3)CC2)n1 1116663078 UENSSCXYWJHIGG-UHFFFAOYSA-N 283.400 3.593 30 20 CHED Fc1ccc(CNN=C2Cc3[nH]c4ccccc4c3C2)cc1 1117703705 ABMONPZHFOSZFI-UHFFFAOYSA-N 293.345 3.551 30 20 CHED CC[C@@H]1C[C@H](C)CN1Cc1ccc(O[C@H](C)C#N)cc1 769448473 RVXHIEHDTZPGGX-SQWLQELKSA-N 272.392 3.598 30 20 CHED CC(Cc1cccs1)=NNc1ccc(C(C)(C)C)nn1 1116088542 ZKNFOZBABOGQTR-UHFFFAOYSA-N 288.420 3.866 30 20 CHED Clc1ccnc(NN=C2CCc3ccccc3C2)c1 777906330 IAZCLTPITYEOGZ-UHFFFAOYSA-N 271.751 3.692 30 20 CHED C[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)C1CCCC1 776394267 WJZCUGRHESMDPQ-DOMZBBRYSA-N 263.381 3.828 30 20 CHED N#CCC[C@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1 775554704 ZLZZXHUKGOVXEX-STQMWFEESA-N 283.202 3.815 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1cncc(Cl)n1 779773402 OWUMKAAETZNTFH-JTQLQIEISA-N 268.792 3.990 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1nc(O)c2ccccc2n1 773202949 HKRRYGOSVQVFQB-GXTWGEPZSA-N 296.374 3.726 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1cnccc1C 771392357 VZYGQRXPFNGYNM-CQSZACIVSA-N 262.397 3.928 30 20 CHED Cc1ccnc(NN=Cc2cccc(C)c2OC(F)F)c1 777890056 ZEQUKPCWLDQCOH-UHFFFAOYSA-N 291.301 3.746 30 20 CHED O=[N+]([O-])c1cc(C=NOCCC(F)(F)F)ccc1Cl 777462495 CPIDQYDRLBCVLM-UHFFFAOYSA-N 296.632 3.551 30 20 CHED COc1ccsc1C(C)=NNc1nccnc1C(C)C 773090282 FEWYZGVAUKZPMW-UHFFFAOYSA-N 290.392 3.506 30 20 CHED CC(C)c1nc(/C=C\C(=O)c2cscn2)c2ccccn12 776192794 SYQSBLDNZIYTSY-SREVYHEPSA-N 297.383 3.810 30 20 CHED CCC/C=C\C(=O)Nc1ccc(OC(C)C)c(C#N)c1 772728551 WGKUAWBWBGYAOE-SREVYHEPSA-N 272.348 3.640 30 20 CHED CCCCCCCCNC(=O)N(C)C[C@@H]1CCCC[C@H]1O 779371131 DYRZFESZYKDJGJ-JKSUJKDBSA-N 298.471 3.539 30 20 CHED N#Cc1csc(C(=O)OCc2cccc(F)c2Cl)c1 772003836 VNKUMDWBCRZCCW-UHFFFAOYSA-N 295.722 3.769 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(CC(F)F)C1CCC1 887909645 BAWMNYKNWCYQDD-UHFFFAOYSA-N 293.317 3.518 30 20 CHED C[C@H](C#N)COC(=O)c1cc2c(s1)-c1ccccc1CC2 770930719 QOCIWIOCIJATAS-LLVKDONJSA-N 297.379 3.830 30 20 CHED Cc1ccc(C)c(C(=O)OC[C@@H](C#N)Cc2cccs2)c1 772732578 JCARSUSWAJLHDX-CQSZACIVSA-N 299.395 3.904 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(C#N)c(F)c1 776746990 VZNYJTHAKHEUIY-NSHDSACASA-N 297.308 3.559 30 20 CHED C#C[C@@H](OC(=O)c1coc2cc(C)c(C)cc12)C1CC1 770899414 SYFKIAIWESXQSA-OAHLLOKOSA-N 268.312 3.618 30 20 CHED C=CCN(C)Cc1cccc(SC(F)(F)F)c1 778165135 LHUZJMFEFYMTPH-UHFFFAOYSA-N 261.312 3.916 30 20 CHED N#Cc1ccc(SCOC(=O)C2CCC2)c(Cl)c1 882139011 PJSKEQLVURIIJP-UHFFFAOYSA-N 281.764 3.605 30 20 CHED CCC(=NNc1ccc(OC)cn1)c1ccc(Cl)cc1 780274922 KZGAQTARELQTPH-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2cc(C)nc(C)n2)C1 783826931 IOEJZNPGJQVELB-UONOGXRCSA-N 260.385 3.708 30 20 CHED N#Cc1cccc(OCc2ccccc2OC(F)F)c1 73923656 MYAPPIUVQPCCNP-UHFFFAOYSA-N 275.254 3.739 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)[C@@H]1[C@@H](C)C1(F)F)c1cccs1 1123266968 LVQVXWYCSFEFDW-LLHIFLOGSA-N 299.342 3.783 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 76070284 UHOKBXOYOOGRQS-JKSUJKDBSA-N 274.433 3.664 30 20 CHED N#CCC1CCN(Cc2ccccc2N2CCCCC2)CC1 781926556 HZAYSIOFSZBCPV-UHFFFAOYSA-N 297.446 3.803 30 20 CHED C#CCOC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 789197812 YILKGEFTCMRKOF-UHFFFAOYSA-N 294.228 3.755 30 20 CHED C=C[C@@](C)(CC)C(=O)OCCCCCn1cc(C)cn1 785758359 VIMKGWUKYOFKET-INIZCTEOSA-N 278.396 3.507 30 20 CHED CC(C)(C)CCNN=Cc1ccc(Cl)c([N+](=O)[O-])c1 782902446 AIDOVHLXACUEIL-UHFFFAOYSA-N 283.759 3.608 30 20 CHED CC(=NN=C(C)c1cc2ccccc2s1)c1cnccn1 780227335 GXDZFEKEAPKHOP-UHFFFAOYSA-N 294.383 3.925 30 20 CHED C=C1CCC(C(=O)NCc2cnccc2C(C)(C)C)CC1 897972005 HNGPANMYAMBUBB-UHFFFAOYSA-N 286.419 3.742 30 20 CHED CCC[C@H](C)C(C#N)(C(=O)OCC)[C@@H](C)CCC 95829967 MSYWRSGZXZMGFD-STQMWFEESA-N 253.386 3.932 30 20 CHED N#Cc1ccc(Cl)cc1N1CCOC2(CCCCC2)C1 301475747 WCXZOZBJTIZTGL-UHFFFAOYSA-N 290.794 3.751 30 20 CHED COc1ccc(C(C)=NNc2ncccc2C)c(C)c1OC 794939981 OBNDHFCSINANAF-UHFFFAOYSA-N 299.374 3.552 30 20 CHED CN(Cc1ccccc1O)c1cc(Cl)ccc1C#N 302674033 SUUIFUWTNROBKE-UHFFFAOYSA-N 272.735 3.554 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1ccnc(O)c1 790286642 CKKHQSPOARSDOI-ZDUSSCGKSA-N 297.402 3.985 30 20 CHED Fc1cccc(NN=CC2CCC(C(F)(F)F)CC2)n1 795007887 PUUOBQBWZUPMPM-UHFFFAOYSA-N 289.276 3.987 30 20 CHED CO[C@H](C)c1nc(COc2ccc(C#N)c(C)c2)cs1 277456854 IKZDYSHLPZBHIW-LLVKDONJSA-N 288.372 3.610 30 20 CHED CC(C)c1ncc(C=NNc2cccc(Cl)n2)s1 793175068 RPKIMNDFHRYKLY-UHFFFAOYSA-N 280.784 3.761 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc(C(C)(C)C)s2)no1 798231995 YFYAKTPSRJFCND-WAYWQWQTSA-N 276.361 3.633 30 20 CHED C[C@@H]1[C@@H](NC(=O)/C=C\c2ccccc2C#N)CCC[C@H]1C 799553037 HEJUQPXASJMJQG-HOVMHUFGSA-N 282.387 3.512 30 20 CHED C=CCC[C@H](C)Nc1cc(N2CCOCC2)ccc1C 797587687 MCEVFIBMTYNTFS-HNNXBMFYSA-N 274.408 3.598 30 20 CHED COCCCON=C1C[C@@H](c2ccccc2)C1(C)C 795050657 GNUFPHWMKBAGBW-AWEZNQCLSA-N 261.365 3.609 30 20 CHED COc1ccc2ccccc2c1C=NNc1cccc(F)n1 795009652 GQQFPILMNVLDRA-UHFFFAOYSA-N 295.317 3.829 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)c1ccccc1F 799303761 MIKRFTPZHUFNGH-UHFFFAOYSA-N 282.318 3.673 30 20 CHED CC(Cc1cccc(C(F)(F)F)c1)=NNc1cnccn1 799108866 MVJLSEOOJVQLAT-UHFFFAOYSA-N 294.280 3.526 30 20 CHED Brc1cc(NN=C2CCC3(CC2)CC3)ccn1 792644485 YHSWYCLJXJFSST-UHFFFAOYSA-N 294.196 3.966 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1ccnn1-c1ccccc1 798371344 LWSXRMDUOJITCH-ZHACJKMWSA-N 299.333 3.640 30 20 CHED CC(C)C1CCC(=NNCCC(F)(F)F)CC1 794550358 DTNKJLXEVQNTBD-UHFFFAOYSA-N 250.308 3.731 30 20 CHED Cc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1C#N 695642281 UOXSFCBXYYTRRV-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC[C@H](C#N)C(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 1156316467 YCXSHHCSSZQIOF-MELADBBJSA-N 264.413 3.505 30 20 CHED Fc1ccccc1NN=Cc1nc(-c2ccccc2)c[nH]1 1318359415 MKRFNPMPIUFZTB-UHFFFAOYSA-N 280.306 3.662 30 20 CHED C=CCCC(=O)OCCc1ccc(OC(F)(F)F)cc1 1319807347 SKBJBFBFUCISPB-UHFFFAOYSA-N 288.265 3.637 30 20 CHED C[C@@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)[C@@H]1C 1162717606 MWIPOEMIHALRQI-GHMZBOCLSA-N 285.778 3.995 30 20 CHED Cc1cc(CN2Cc3ccccc3C(F)(F)C2)ccc1C#N 1179920830 WFLQYZMNXMIZRN-UHFFFAOYSA-N 298.336 3.974 30 20 CHED C[C@@H]1CCC[C@H](OCc2nnc(-c3cccc(C#N)c3)o2)C1 1324183187 LQGZOEJKHWVEPW-DOMZBBRYSA-N 297.358 3.704 30 20 CHED CC1(NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 1321939771 RENPXASRPRRRMH-UHFFFAOYSA-N 290.366 3.760 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1cc(C(C)(C)C)on1 1321346792 IKYHYSJPXHUXDJ-UHFFFAOYSA-N 298.342 3.625 30 20 CHED Cc1cc(F)c(-c2nnc(-c3cccc(C#N)c3)o2)cc1F 1328429739 PTZXIOZTYBPHDM-UHFFFAOYSA-N 297.264 3.862 30 20 CHED CCc1ccc(C(=O)N2CCC(CC#N)CC2)cc1CC 1323654427 CGHIFNFWLVFYAZ-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CN(CCC1CCCCC1)c1cccc(CC#N)n1 1320363251 BVGBWMVWUNAPCX-UHFFFAOYSA-N 257.381 3.554 30 20 CHED C=CCN(C)C(=O)Nc1ccc(SC(F)(F)F)cc1 1320611442 CCAWCQVBBIZDGR-UHFFFAOYSA-N 290.310 3.948 30 20 CHED C=CCC(C)(C)c1nnc([C@@H](C)CN2CCC(C)CC2)o1 1327028356 RKIUHVSELHOUDT-AWEZNQCLSA-N 291.439 3.759 30 20 CHED C[C@H](c1nnc(-c2ccc(C#N)cc2)o1)c1cccs1 1322324674 AAOFMVKXGHJQIE-JTQLQIEISA-N 281.340 3.822 30 20 CHED C[C@@H](COCC1CCCCC1)Nc1cccc(CC#N)n1 1333850491 PEHHVQHBYCNPCQ-AWEZNQCLSA-N 287.407 3.545 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1253249119 VQMZEPYDEQUDKG-GDBMZVCRSA-N 297.402 3.911 30 20 CHED C[C@@H](CCC(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1347123094 IQMPCMQLSKIDIO-ZFWWWQNUSA-N 296.345 3.981 30 20 CHED C=C(Cl)CN(CCC)[C@@H]1C[C@H](OCC)C1(C)C 1191099120 IUJQKJVPPLCZIG-OLZOCXBDSA-N 259.821 3.655 30 20 CHED C=C(CC)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 1346686460 CPSSKGIQDYUDKW-CQSZACIVSA-N 284.359 3.848 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2ccc(C#N)cc2F)C1 1279974853 PPJLTURRXXCKLV-UHFFFAOYSA-N 288.366 3.738 30 20 CHED C#CC[C@@H](CC)c1nnc(N2CCCC[C@H]2CC)n1CC 1352225418 GGHULLFTQUPEDM-HUUCEWRRSA-N 288.439 3.584 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cccc(C3CCC3)c2)C1 1357651791 VIQSCVGYMWPUOO-WBMJQRKESA-N 269.344 3.803 30 20 CHED Cc1csc(NC(=O)c2cccc3[nH]ccc23)c1C#N 1436192434 QRNOYHMLOQNCDI-UHFFFAOYSA-N 281.340 3.662 30 20 CHED C[C@H]1CCC[C@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 1435509208 YHWVKYGLFXPWFS-ZENOOKHLSA-N 271.360 3.989 30 20 CHED Cc1nc(N2CCC[C@]2(C)CC(C)C)ccc1C#N 1458410342 ZUMBIERDWUMZLT-MRXNPFEDSA-N 257.381 3.667 30 20 CHED CC1(C)CCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1609815109 ICLIOLNTXCEAOK-UHFFFAOYSA-N 264.300 3.502 30 20 CHED N#Cc1cccc(NC(=O)c2ccccc2-n2cccc2)c1 1521495489 PGFUQYXPNOENHZ-UHFFFAOYSA-N 287.322 3.601 30 20 CHED CCOc1ccc([C@@H](C)OC(=O)C2(C#N)CCCC2)cc1 1521466936 ZBQHVTNKEOPUDI-CYBMUJFWSA-N 287.359 3.773 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)N2CCC(C)(C#N)CC2)c1 1469629576 VAGLKOMVGQTIBK-OAHLLOKOSA-N 299.418 3.700 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 1533139357 KIEASBUBFZPBHI-HUUCEWRRSA-N 298.386 3.916 30 20 CHED N#Cc1ccc(OCCSc2ccccc2)c(F)c1 224964718 YJRSDYKKXJFSCE-UHFFFAOYSA-N 273.332 3.868 30 20 CHED Cc1ccc(C[C@H](Sc2ccccc2C#N)C(=O)O)cc1 1600404714 VALHEXJXVNTWOP-INIZCTEOSA-N 297.379 3.655 30 20 CHED CCCCCCCNC(=O)Nc1ccc(C(=O)O)s1 1605266984 AOWYXRIPVBWNMQ-UHFFFAOYSA-N 284.381 3.538 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2cc(F)cc(C#N)c2)CC[C@H]1C 1624291864 VKHZTTNUPYPDLK-NTZNESFSSA-N 274.339 3.708 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1ccc(F)c(C#N)c1 229747946 IHWHLVQJOWDADF-NSHDSACASA-N 286.375 3.878 30 20 CHED Cc1cc(N2CC[C@H](Cc3ccccc3)[C@H]2C)ncc1C#N 1651603274 VWTOBSSVUUOKCP-NVXWUHKLSA-N 291.398 3.719 30 20 CHED C=CC(C)(C)CNCc1ccc(-c2ccccc2C(=O)O)o1 1588680621 BLBJSMDEXQYCMP-UHFFFAOYSA-N 299.370 3.947 30 20 CHED N#Cc1ccc(SCc2cc(C#N)ccc2F)cc1 1651771939 MYAYIMHEWKMXQY-UHFFFAOYSA-N 268.316 3.861 30 20 CHED C=C(CN[C@H](C)CC(C)(C)CC(=O)O)c1ccccc1 1588637180 JTHYXCQJFIXMLB-CQSZACIVSA-N 275.392 3.569 30 20 CHED Cc1cc(C)nc(CSc2ccccc2C#N)c1 1652664747 MLIPUSGILGRLGG-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C=C(CNCc1ccc(OC)cc1C)c1ccccc1 1656350729 PKXOEJBDNMNKKH-UHFFFAOYSA-N 267.372 3.807 30 20 CHED CC(C)(CNCc1cccc(F)c1C#N)c1ccccc1 1665198871 KEZXCDMRRMJUNB-UHFFFAOYSA-N 282.362 3.765 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(F)c1 1598328144 ZIXRLUDMJBBNJA-LBPRGKRZSA-N 282.318 3.531 30 20 CHED C[C@H](CC(=O)O)c1ccc(-c2ccc(C#N)s2)cc1 1592424813 XBQDJIGZGDJJCU-SNVBAGLBSA-N 271.341 3.865 30 20 CHED C[C@H](COCC1CCCCC1)N[C@@H]1CCC[C@H](C#N)C1 1665711516 AICCHAHCNOXWGV-HYVNUMGLSA-N 278.440 3.644 30 20 CHED C=C(CNC(=O)NC[C@@H]1CCC[C@H](C)C1)c1ccccc1 1675971052 UXPZMVHCZPDIES-GOEBONIOSA-N 286.419 3.825 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Nc2ccc(C#N)c(F)c2)c1 1672586398 DEWJFEGAHRTIJR-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CCC1(CNC(=O)Nc2sccc2C#N)CCCC1 1671450176 YPZMZYBWBDEHLA-UHFFFAOYSA-N 277.393 3.712 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(Cl)cc2)cc1F 1776073472 WPUXKFNZNLJUAZ-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(C(=O)O)c(F)c1 1777477272 UDJGDZJIBOFWQD-HYXAFXHYSA-N 290.315 3.790 30 20 CHED O=C(O)c1ccc(NN=C2C[C@@H]3CCCC[C@H]3C2)cc1 1776013673 KHACFKRPNWVXFD-STQMWFEESA-N 272.348 3.753 30 20 CHED Cc1cccc(CNc2ncccc2OCCCC#N)c1C 162247856 OQEPJZLDUFHGEN-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C=CCSc1nnc(-c2ccccc2C)n1CC=C 158118494 FTNDSLSZNZGTRE-UHFFFAOYSA-N 271.389 3.718 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3ccc(C)s3)n2c1 151395230 CJVUFUOJHIKHNK-AATRIKPKSA-N 282.368 3.909 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)c2cccc(C)c2)CC1 151973667 ZWZQASKKXOEGLV-AWEZNQCLSA-N 257.377 3.523 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1Cl 155131177 MCHGBJWEZLTCAN-LBPRGKRZSA-N 280.799 3.565 30 20 CHED C#Cc1cccc(NCc2ccccc2OCC)c1 19876804 CMZWEDLURMMGJC-UHFFFAOYSA-N 251.329 3.679 30 20 CHED CCN(Cc1ccc(C#N)c(OC)c1)Cc1cccs1 233463304 INCXOLMSZKHBPC-UHFFFAOYSA-N 286.400 3.650 30 20 CHED CCCCCCCCN(C)Cc1nnc(C)s1 852746283 LEJGDMXNNNIQFF-UHFFFAOYSA-N 255.431 3.639 30 20 CHED C=CCOc1ccccc1CNCc1cccc(C)c1 35230247 LVGNIWDWOJVLSA-UHFFFAOYSA-N 267.372 3.850 30 20 CHED Cc1cc(C)c(CNCc2cccc(C#N)c2)c(C)c1 37501704 HMMSGOZRQQZPKK-UHFFFAOYSA-N 264.372 3.773 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1ccccc1Cl 44766189 KBYFOFJDOXTFMQ-UHFFFAOYSA-N 278.783 3.628 30 20 CHED N#Cc1cc(NC(=O)c2ccc(F)c(F)c2)ccc1Cl 48824319 LCXGRURVEWNMQJ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC(C)n1ccc(COc2cc(Cl)cc(C#N)c2)n1 287540094 NLUYBAXDKASVFF-UHFFFAOYSA-N 275.739 3.568 30 20 CHED C=CCN(CC=C)Cc1ccc(Br)cc1 58337441 MZYDCBPMCCQQBJ-UHFFFAOYSA-N 266.182 3.623 30 20 CHED Cc1cccc(C)c1C(=O)Nc1ccc(C#N)c(F)c1 307929269 BFZOPENHAFLCCJ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#C[C@H](C(=O)c1csc2ccccc12)c1ccccn1 78732895 XRGBAHBCUKLRSS-LBPRGKRZSA-N 278.336 3.786 30 20 CHED CC[C@](C)(C#N)C(=O)N(Cc1ccccc1)CC(C)C 341028964 SSKNCUBPSNVBOX-QGZVFWFLSA-N 272.392 3.611 30 20 CHED CC[C@H](NCCc1cccc(C#N)c1)c1cccs1 467429811 NISPQOKFGDSTLW-HNNXBMFYSA-N 270.401 3.903 30 20 CHED C(=NOCc1ccccc1)C1Cc2ccccc2C1 766432895 DFKHTIBUZYQSEU-UHFFFAOYSA-N 251.329 3.604 30 20 CHED C=CCNC(=O)[C@@H](C)Sc1ccc(C(C)C)cc1 58635875 IAJBUGFWGXSJLJ-GFCCVEGCSA-N 263.406 3.593 30 20 CHED COc1cccc(/C=N/Cc2cc3ccccc3[nH]2)c1O 58464353 GMCXRRIMXZQPHG-VCHYOVAHSA-N 280.327 3.501 30 20 CHED CC(C)CN(CC[C@@H](C)F)Cc1ccc(C#N)cc1 509309339 FEQYGEUPXWKHRT-CQSZACIVSA-N 262.372 3.764 30 20 CHED CCCCCCCC(=O)N[C@H](COC)c1ccc(C)o1 173713522 MFRGHJOELCQABX-CQSZACIVSA-N 281.396 3.752 30 20 CHED N#C[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1F 108803161 PXQZEHZYHLWRDL-SNVBAGLBSA-N 294.738 3.535 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccsc2)cc1 118627753 YSKNNXYBXRQAKR-UHFFFAOYSA-N 259.330 3.565 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 116937007 FLDOSEJZDCLTDZ-QWRGUYRKSA-N 298.333 3.613 30 20 CHED CCc1ccc([C@@H]2COCCN2CCCC(C)(C)C#N)o1 174868445 AQMXNSQPCKPBQM-HNNXBMFYSA-N 290.407 3.545 30 20 CHED C=CC[C@H](C)NC(=O)C(C)(C)c1ccc(Cl)cc1 116860726 PBFPUMWAZHWXND-NSHDSACASA-N 265.784 3.698 30 20 CHED CC(C)(C)C[C@H](O)C/N=C/c1c(O)ccc2ccccc12 172156773 YIZDXVDVILNXDN-BXUJETTOSA-N 285.387 3.761 30 20 CHED CC(C)(C)[C@H](NC(=O)NCCCCC#N)c1ccccc1 171423958 CCRFOFIUUUHAMD-OAHLLOKOSA-N 287.407 3.767 30 20 CHED CCN(C)Cc1cccc(CNc2cccc(F)c2C#N)c1 301148295 NDENZDPDIOYRSA-UHFFFAOYSA-N 297.377 3.761 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(F)ccc2Cl)c1 815377966 MVQZPDDGKUFRPV-UHFFFAOYSA-N 287.721 3.737 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3ccccn23)c(C)c1 119120609 SIHYZRMOYKVRKC-VQHVLOKHSA-N 276.339 3.847 30 20 CHED CCC1(CC)[C@H](Nc2ccc(Cl)c(C#N)n2)C[C@H]1OC 301709803 JVKSSEQWKSGJLC-CHWSQXEVSA-N 293.798 3.612 30 20 CHED CC[C@H](Sc1ccc(C#N)nn1)c1ccccc1 301985129 YWGYZFVZVNAJFN-ZDUSSCGKSA-N 255.346 3.592 30 20 CHED C=C[C@H](CC(=O)N(CC)Cc1ccoc1)c1ccccc1 126115662 VEDMSXZSJFJYSC-MRXNPFEDSA-N 283.371 3.988 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C)cc1 23986648 RODPOVYDWOILTB-QGZVFWFLSA-N 278.355 3.748 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1occc1C 119019446 FLQRFAZAPMHOTF-CMDGGOBGSA-N 256.301 3.883 30 20 CHED Cc1cccc(C2(NC(=O)NCCCCC#N)CCCC2)c1 171440830 CODPSXHAOFZRKP-UHFFFAOYSA-N 299.418 3.757 30 20 CHED CC/C=C(\C)C(=O)N[C@H](CCC#N)c1ccccc1 178626753 NHMBSDPKWANJJT-XETPBLJFSA-N 256.349 3.504 30 20 CHED Cc1ccccc1Sc1c(C#N)cccc1C#N 302829205 JNSXMQXPCMVVCC-UHFFFAOYSA-N 250.326 3.890 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1sccc1C#N 114222030 SHKUMQKMFVINIA-SNVBAGLBSA-N 262.378 3.775 30 20 CHED Cc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(C)s1 116802357 TXPDATIUCMHBRH-MEBBXXQBSA-N 276.405 3.567 30 20 CHED CO[C@H](CNc1ccc(Cl)cc1C#N)C(C)(C)C 301415371 FCWZOCUQBCPOOR-CYBMUJFWSA-N 266.772 3.685 30 20 CHED CC(C)COc1cccc(Nc2ncccc2C#N)c1 301551641 RAFKYFOJARSYEE-UHFFFAOYSA-N 267.332 3.732 30 20 CHED Cc1sc(NC(=O)[C@H](C)OCCC(C)C)c(C#N)c1C 66014693 OTJPTIBFPBOCKP-NSHDSACASA-N 294.420 3.626 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1C 409745978 JSPHKRLVEPBBQW-RDJZCZTQSA-N 286.419 3.615 30 20 CHED N#Cc1cccc(C#N)c1Sc1cc(F)ccc1F 302867866 ZSOKNYSXQYUWMR-UHFFFAOYSA-N 272.279 3.859 30 20 CHED N#Cc1ccc(N2CCOCC3(CCCC3)C2)cc1Cl 302488574 ZHIHGXFTDPAIRF-UHFFFAOYSA-N 290.794 3.609 30 20 CHED CCOC(=O)[C@@H](Sc1cccc(C#N)c1)c1ccccc1 177360509 GQKCZJSGYVBWLZ-INIZCTEOSA-N 297.379 3.955 30 20 CHED C#C[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1 185305976 BNFDWCHZGGWHKC-CYBMUJFWSA-N 281.380 3.589 30 20 CHED CC[C@H](CC(=O)N(CC#N)c1ccccc1)C(C)C 171742058 ADNAMDCNTDXVSL-CQSZACIVSA-N 258.365 3.615 30 20 CHED C=C(C)COc1cccc(NC(=O)CC(F)(F)F)c1 66463322 JGLDTRRYDXJIIW-UHFFFAOYSA-N 273.254 3.532 30 20 CHED CCCOc1ccc(CNc2ccc(C#N)cc2)cc1OC 301088983 LZTCZUZIPCQXER-UHFFFAOYSA-N 296.370 3.968 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)N[C@H](C)c1ccc(C#N)cc1 69104129 DSFDRWKHSNTDLW-OLZOCXBDSA-N 297.358 3.615 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(CC#N)cc1 127731748 WQSCLYDVGCFISL-ZWKOTPCHSA-N 290.366 3.803 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1sc2c(c1C#N)CCC2 186587441 RUVFXQQBYKNTEQ-GHMZBOCLSA-N 288.416 3.873 30 20 CHED N#Cc1ccc2nc(NC[C@@H]3Cc4ccccc43)ccc2c1 301982241 JIBUFDFNGPBWGP-INIZCTEOSA-N 285.350 3.858 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2cccs2)cc1 280280770 SGAUSHRAMXQRQL-CQSZACIVSA-N 254.358 3.961 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N(CC#N)C2CCCC2)C1(C)C 78208335 ZHKXZNOCHGPHAQ-GJZGRUSLSA-N 274.408 3.520 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccc(C)c(C)c2)o1 127020247 AKIJGUPJEMGRFD-LBPRGKRZSA-N 273.361 3.748 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](CC)c1ccncc1 181391161 QIYMAXSBYPUFLK-HOCLYGCPSA-N 289.423 3.919 30 20 CHED C=CCOc1ccc(CNCc2cccc(COC)c2)cc1 77289188 NOHFEGJSEYVHST-UHFFFAOYSA-N 297.398 3.688 30 20 CHED Cc1ccc(C)c2c1CCC[C@H]2NCCCCC#N 186150826 QFGSWZHGNNKNAL-MRXNPFEDSA-N 256.393 3.964 30 20 CHED C[C@@H](NCCC[C@@H]1CCCCO1)c1ccc(C#N)cc1 186001051 SISODQACCHZGHX-PBHICJAKSA-N 272.392 3.558 30 20 CHED CO[C@H](CNc1ccc(F)cc1C#N)c1ccc(F)cc1 75059731 NSQZOUOCLKKOMP-MRXNPFEDSA-N 288.297 3.636 30 20 CHED C[C@H](Cc1ccsc1)Nc1c(C#N)nnc2ccccc12 76324307 VYAVADWRTBAPPM-LLVKDONJSA-N 294.383 3.606 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1SCCc2ccccc21 182641175 YOEXSYFYVAITOM-XJKSGUPXSA-N 289.444 3.878 30 20 CHED CC(C)[C@@H]1N(c2ncccc2C#N)CC12CCCCC2 413433306 DCYWYJMBGBKVDC-HNNXBMFYSA-N 269.392 3.748 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc(Cl)cc(C)c1O 188647561 BVZWCEWEMBXHHS-HNNXBMFYSA-N 297.782 3.521 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1 186484978 GSUNSAJMMQLEKR-MRXNPFEDSA-N 291.354 3.861 30 20 CHED CSc1ccccc1OCCCC1(C#N)CCOCC1 419075297 FQTFPEFTTUOWNL-UHFFFAOYSA-N 291.416 3.888 30 20 CHED C=CCOc1ccc(Oc2cc(Cl)nc(C)n2)cc1 78559360 PCDIFOGBDTUGMF-UHFFFAOYSA-N 276.723 3.796 30 20 CHED Cc1ccc(N(C)CCOc2ccc(C#N)cc2)c(C)c1 48346131 IBLQFQNRLAIPHW-UHFFFAOYSA-N 280.371 3.690 30 20 CHED C=C(C)[C@@H](NC(=O)N(CC)CC)c1ccc(F)c(F)c1 186138522 LQMGOQJRVBWHLI-CQSZACIVSA-N 282.334 3.633 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1cc2ccccc2o1 48399102 NZVUFQHDCMNKOG-NSHDSACASA-N 263.300 3.873 30 20 CHED Cc1cccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 71868008 KMWCZIJNEHPBGK-UHFFFAOYSA-N 292.382 3.918 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416098818 KNWVPEOVRKCELV-LNLFQRSKSA-N 296.414 3.734 30 20 CHED N#CC1(C(=O)Nc2ccc3c(c2)CCC3)CCCCC1 44385463 AKLOETMJRFKSGZ-UHFFFAOYSA-N 268.360 3.588 30 20 CHED C=CCCC(=O)Nc1ccc(F)cc1OCCC 131153901 CNUMVFNTFCLULF-UHFFFAOYSA-N 251.301 3.519 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2ccc(F)c(F)c2)c1 87240622 XMOJNCFOBYNEBM-UHFFFAOYSA-N 299.320 3.542 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 134383656 FLRKHQUCNVXEBY-INIZCTEOSA-N 285.391 3.991 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)CCC#N)c(OC)c1 229674925 LCOFGNJLEAQMPF-ZDUSSCGKSA-N 290.407 3.684 30 20 CHED C=C[C@@H](CC(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 136535294 QRDRZXAJZMMYKN-HOCLYGCPSA-N 276.339 3.618 30 20 CHED CCN(CCCSCC#N)Cc1c[nH]c2ccccc12 190495138 BQSNXPAHYNUWMC-UHFFFAOYSA-N 287.432 3.637 30 20 CHED C=CCCC(=O)COc1ccc(C(=O)c2ccccc2)cc1 134644456 ADBCXBNLIXJGRQ-UHFFFAOYSA-N 294.350 3.832 30 20 CHED C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1cccs1 46889804 DTDPRAMACAVRSM-GFCCVEGCSA-N 299.399 3.522 30 20 CHED Cn1cc(CNc2cccc(CC(F)(F)F)c2)cc1C#N 191440737 VMHPHDVBHXZYFA-UHFFFAOYSA-N 293.292 3.614 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)N(CC)CCC#N)c1 80170852 NZMIKIUPVCRHBN-CYBMUJFWSA-N 289.379 3.631 30 20 CHED CCc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cn1 425368397 WOQMTDLDITUHPT-AWEZNQCLSA-N 279.387 3.709 30 20 CHED N#CCC1CCN(Cc2cscc2Cl)CC1 611622811 UOOOJTXSKJLVLE-UHFFFAOYSA-N 254.786 3.527 30 20 CHED CCc1cccc(F)c1CN1CCC(CCC#N)CC1 514938939 QJHOPHKZEWFRNH-UHFFFAOYSA-N 274.383 3.904 30 20 CHED C[C@@H]1CC[C@@H](C(O)=Nc2ncn(C3CCCCC3)n2)C1 329570801 QLTLVNPVXQIZPX-VXGBXAGGSA-N 276.384 3.808 30 20 CHED C=CCC[C@@H](NCC1(N)CCCCC1)c1ccco1 423180460 NUZJGTAYHMDPTH-CQSZACIVSA-N 262.397 3.538 30 20 CHED C[C@]1(C/N=C(/O)c2coc(C3CCCC3)n2)CCCS1 328664505 BPEVCFJHYGJFDD-OAHLLOKOSA-N 294.420 3.923 30 20 CHED Cc1csc(NC(=O)[C@H]2CCCC[C@H]2C)c1C#N 425608614 GKUNHOSFUJZJNI-KOLCDFICSA-N 262.378 3.693 30 20 CHED C[C@@H](Nc1cc(Cl)ccc1C#N)c1cncs1 229114865 RJMAYGVLDQXTAZ-MRVPVSSYSA-N 263.753 3.841 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@H](C#N)C(C)(C)C)cc1 85438388 QAIOPRJXQRQUDN-XJKSGUPXSA-N 286.419 3.797 30 20 CHED C[C@@H](C#N)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 510387861 FPYKAOFNMAEFTL-VIFPVBQESA-N 299.201 3.547 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CC[C@@H](C)C1 425512835 DZSYDKXWORISFE-IJEWVQPXSA-N 299.418 3.697 30 20 CHED C=C(C)CCc1noc([C@@H](CC)OC2CCCC2)n1 420503676 LTEXSMAXTJMYFB-CYBMUJFWSA-N 264.369 3.989 30 20 CHED C=CCN(Cc1ccc(OC)cc1)CC1CCCC1 195542584 RZEVVGJJYRUBCS-UHFFFAOYSA-N 259.393 3.873 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@H](C3CCCC3)C2)cc1 333850238 NGTKKPIOAHKYLE-HNNXBMFYSA-N 283.375 3.602 30 20 CHED C#CCCCC(=O)Nc1ccc(Cl)cc1OC(F)F 190670508 YCEJOFNRDQRCJC-UHFFFAOYSA-N 287.693 3.683 30 20 CHED CC(C)c1ccc([C@@H](NC(=O)[C@@H](C)C#N)C(C)C)cc1 510338197 DGBOCCZOKNTKSB-BBRMVZONSA-N 272.392 3.783 30 20 CHED C=C1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 336479772 BSJCOBNTTHZTOI-UHFFFAOYSA-N 267.328 3.739 30 20 CHED Cc1cc[nH]c1C(O)=Nc1ncc(C(C)(C)C)s1 331227067 NSJPMWUAMKHSIB-UHFFFAOYSA-N 263.366 3.713 30 20 CHED C=CCOCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 511890291 DNMMVXAOKWCTNZ-QRVBRYPASA-N 285.431 3.847 30 20 CHED C[C@H](C#N)C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 334791365 QFMGFYPPPBVSCV-ZBFHGGJFSA-N 282.387 3.680 30 20 CHED CCOc1cccc([C@@H](C)NCc2cc(C#N)ccc2F)c1 90117829 VPBIFKDGWGUGDZ-CYBMUJFWSA-N 298.361 3.947 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](OC(C)(C)C)c1ccccc1 193125378 ONIAKPODDAUNAY-INIZCTEOSA-N 287.403 3.743 30 20 CHED N#Cc1cccc(NCc2cnc(-c3ccco3)s2)c1 192760235 PCGYFOZAPWRMPT-UHFFFAOYSA-N 281.340 3.887 30 20 CHED C[C@@H]1CC[C@@H](C/N=C(/O)c2ccc(Cl)cc2[N+](=O)[O-])C1 331088716 UDYLZPVDMZQPRB-NXEZZACHSA-N 296.754 3.989 30 20 CHED Cc1cc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)n[nH]1 334477397 OZHIARHVTDOZPI-CQSZACIVSA-N 294.402 3.530 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)c1cccc(C#N)c1C 510415341 UPRUDHIRVOULFQ-UHFFFAOYSA-N 298.773 3.759 30 20 CHED Cc1ccc([C@@H]2OCCC[C@H]2Nc2cccc(C#N)n2)cc1 339216095 WZSQUPHPNSRMQV-AEFFLSMTSA-N 293.370 3.594 30 20 CHED Cc1ccc2c(c1)CN(C(=O)Nc1ccc(F)c(C#N)c1)C2 336139210 RCUOLTHZVPURCO-UHFFFAOYSA-N 295.317 3.554 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCCOc3ccccc32)CC1 336212719 IEZHUSSXVCHWPU-BFHRDPOASA-N 284.403 3.962 30 20 CHED Cc1cc(C)c2oc(N3CCC(C)(C#N)CC3)nc2c1 335383598 DQJUBJKJSCLEGO-UHFFFAOYSA-N 269.348 3.575 30 20 CHED CCCN(CC(C)C)C(=O)Nc1ccc(C#N)c(F)c1 518508912 PIWAHBCWAJXDQJ-UHFFFAOYSA-N 277.343 3.597 30 20 CHED C=CCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 511594499 OOTKAXXHOWLBKC-CYBMUJFWSA-N 271.282 3.812 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2cc(C#N)ccc2F)C1 336023615 RMNUJUHZCWVEIL-FZKQIMNGSA-N 295.361 3.675 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(O)cc(F)c1 334950700 JVLXCQLWIDLOLC-SFHVURJKSA-N 296.345 3.570 30 20 CHED C=CC[C@H](C(=O)NCc1cc(CC)ccn1)c1ccccc1 437736702 MXEKXYVGYVIZTD-SFHVURJKSA-N 294.398 3.620 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1cscc1C#N 346715530 SJAFTCZZFUZTHG-GFCCVEGCSA-N 284.384 3.728 30 20 CHED CC[C@@H](CC#N)NC(=O)c1sc2ccc(C)cc2c1C 346532832 GBTUWLNCTMQNCV-LBPRGKRZSA-N 286.400 3.940 30 20 CHED C=CCN(C)C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 430328238 NMASSLOVZPXMRG-BBRMVZONSA-N 272.392 3.528 30 20 CHED CCC(C#N)(CC)C(=O)N1Cc2ccccc2C(C)(C)C1 528912948 IMBJGQGGXNZBQP-UHFFFAOYSA-N 284.403 3.636 30 20 CHED CC[C@@H](NCc1ccc(CC#N)cc1)c1c(C)noc1C 348282586 SKRKDTIRTRMZKG-MRXNPFEDSA-N 283.375 3.598 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1C#N 435162127 IAOFIBCPJVZVRG-AWEZNQCLSA-N 289.354 3.740 30 20 CHED COc1cccc2cc([C@H](C)NCC3(CC#N)CC3)oc12 430742600 MSTKTFBZRINSCL-LBPRGKRZSA-N 284.359 3.786 30 20 CHED N#Cc1cccc(-c2ccc(CN3CCCC3)cc2)c1 527588987 UTRMZCZTBHDUIK-UHFFFAOYSA-N 262.356 3.821 30 20 CHED C=C(C)CCNc1c(C)nn(-c2ccccc2)c1C 345364424 ILJXRTNXWQXYBG-UHFFFAOYSA-N 255.365 3.867 30 20 CHED N#CCC1(CN2CCC[C@@H]2Cc2ccc(F)cc2)CC1 602767012 HPUCMHDCOWSMJO-MRXNPFEDSA-N 272.367 3.526 30 20 CHED CCN(C[C@H](C)C#N)[C@H]1CCc2c(Cl)cccc21 245890764 RQJLSIDHTAYIQQ-ABAIWWIYSA-N 262.784 3.809 30 20 CHED CCCOCc1ccccc1CNC[C@@H](C)CCC#N 602523001 YCYOOSNIGGSZAY-HNNXBMFYSA-N 274.408 3.643 30 20 CHED N#Cc1cccc(CCNc2cccc(C(F)(F)F)n2)c1 343043626 FONFJXURNSPWNA-UHFFFAOYSA-N 291.276 3.627 30 20 CHED Cc1ccc(OCc2ccc(F)cc2C#N)cc1F 433342770 XMSCJGPDZWYGHM-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=CCSCCNC(=O)c1oc2c(F)cccc2c1C 604486728 ASDRLJVXGQGTOP-UHFFFAOYSA-N 293.363 3.529 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(CC)nc1 347631994 FZHIMSJTOBFUSE-UHFFFAOYSA-N 293.414 3.928 30 20 CHED CCS[C@@H]1CCCCN(C[C@H](C)CCC#N)C1 602476035 VBWYKAUVKNADCR-ZIAGYGMSSA-N 254.443 3.534 30 20 CHED CC(C)Oc1ccccc1COc1ccccc1C#N 603945644 GZTBDDXYPNQSIZ-UHFFFAOYSA-N 267.328 3.924 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1nc3c(cc1C#N)CCC3)CC2 609288329 KQEDAUGXTPBNBZ-SFHVURJKSA-N 289.382 3.850 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)[nH]2)n1 341170002 JOYDEEFMMPRFLS-CMPLNLGQSA-N 270.336 3.620 30 20 CHED C=CCOCCCN(Cc1ccc(F)cc1F)C1CC1 347970134 LZTQFJIMVBUSAR-UHFFFAOYSA-N 281.346 3.522 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(NC(C)=O)cc1OC 343503881 MAYSSFZRDRRTRS-OCCSQVGLSA-N 290.407 3.659 30 20 CHED CC(C)CCN(CCC#N)Cc1nc(C2CC2)cs1 343535795 JKNKNOTVOBJYEB-UHFFFAOYSA-N 277.437 3.782 30 20 CHED CCOc1cccc([C@@H](C)NC(=O)C(C#N)(CC)CC)c1 528282184 SGUORZXFCPEOSQ-CYBMUJFWSA-N 288.391 3.592 30 20 CHED CCOc1cccc(C=Nc2ccccc2C)c1O 255505267 UATAYBJECXKUHI-UHFFFAOYSA-N 255.317 3.850 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 449350325 ULZLYSRVSIBHEB-XQQFMLRXSA-N 262.353 3.846 30 20 CHED C[C@@H](CCC#N)CN1CCC(OC2CCCCC2)CC1 602454312 QGTFPXDEGSCNRF-HNNXBMFYSA-N 278.440 3.740 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(C1CC1)[C@@H](C)c1ccccc1 448819163 UAWVLPLEDLEJLN-ZDUSSCGKSA-N 293.370 3.561 30 20 CHED Clc1ccc(C=NOCc2cccnc2Cl)cc1 255118656 WQAUFOGYEDWDLU-UHFFFAOYSA-N 281.142 3.939 30 20 CHED N#CCCN(CC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 352575966 FDHILEICURIXHG-GVDBMIGSSA-N 288.435 3.745 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2ccc(F)cc2)c1C 255780467 YUZPXJJMRRYLDK-KTKRTIGZSA-N 286.350 3.945 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)cc(F)c1F 441561981 ARSLQJYHVYNYLS-UHFFFAOYSA-N 259.683 3.913 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 613372780 WUXWTVVHKREJNN-CJNGLKHVSA-N 298.386 3.744 30 20 CHED C=CCOc1ccc(C(=O)N2CCC(CC)(CC)C2)cc1 446558302 SOCGDSGKUKUVMR-UHFFFAOYSA-N 287.403 3.904 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccccc2CC(F)(F)F)C1 442858238 RKXUGTSVDAKDOF-ZYHUDNBSSA-N 268.282 3.896 30 20 CHED C[C@@H]1C[C@@H](C)CN(C(=O)C[C@H](CC#N)c2ccccc2)C1 353349449 RKAADYDTIPOGTB-INMHGKMJSA-N 284.403 3.578 30 20 CHED CCC(CC)CN(CCC#N)c1ccnc(C(C)(C)C)n1 611104086 LHEAMMWXLWWUOK-UHFFFAOYSA-N 288.439 3.930 30 20 CHED CC1(C)CCCN(Cc2ccccc2OC(F)F)[C@@H]1C#N 444732746 WNXKTWIFWMYBMB-CQSZACIVSA-N 294.345 3.802 30 20 CHED C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F 352605331 LKBZPZSMLGFTKO-QMTHXVAHSA-N 282.309 3.866 30 20 CHED C=CCCCC[C@H](C)N[C@H](c1nccn1C)C1CC1 449323344 ULTXXOKUZQYXAI-ZFWWWQNUSA-N 261.413 3.596 30 20 CHED N#CCCCNCC(Cc1ccccc1)Cc1ccccc1 356404343 BFQPGSCMVIWVPK-UHFFFAOYSA-N 292.426 3.981 30 20 CHED C=CC(C)(C)CN[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 449486745 VCHUNTSAMBVGRD-SJLPKXTDSA-N 286.463 3.699 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](c1ccccc1C)C1CC1 264828885 HXRPUTJYTDWQSV-YOEHRIQHSA-N 287.403 3.544 30 20 CHED CC(C)c1cc(CNc2nc(C(C)(C)C)ccc2C#N)on1 613423435 FDOMDQILRYJVIZ-UHFFFAOYSA-N 298.390 3.974 30 20 CHED Cc1cc(CNCC2(c3cccc(F)c3)CC2)ccc1C#N 443996996 VXRBSDMWCIAODV-UHFFFAOYSA-N 294.373 3.827 30 20 CHED C[C@@H]1COCC[C@@H]1CN[C@@H]1CCCCc2cc(C#N)ccc21 353979506 RDYMHGMMJADOHQ-LSBZLQRGSA-N 298.430 3.588 30 20 CHED C[C@@]1(C#N)CCCN(CCSCc2ccccc2)C1 619166896 KXYAMUNPCKITRS-INIZCTEOSA-N 274.433 3.545 30 20 CHED CCO[C@H]1C[C@H](NCc2cccc(C#N)c2)C1(CC)CC 537297021 KQPVLESHBFDLEP-IRXDYDNUSA-N 286.419 3.632 30 20 CHED C=CCN(C(=O)NCC1CCC(C)(C)CC1)C1CC1 536816793 OCAZVDMSQKKYQC-UHFFFAOYSA-N 264.413 3.563 30 20 CHED C=CCCNC(=O)C[C@H](C)c1ccccc1C(F)(F)F 617616283 PWKXGXKMLYEHGV-NSHDSACASA-N 285.309 3.891 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc2c(c1)COC2 536854615 WKFZYVWFLWDEOT-QGZVFWFLSA-N 259.393 3.941 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(N3CC=CCC3)c2c1 619792731 VYHKNYBIMGXZAE-UHFFFAOYSA-N 283.762 3.835 30 20 CHED C#CCN(CC)C(=O)N[C@@H](CC)c1ccc(Cl)s1 265101611 BBZKSSSOZQGZDP-JTQLQIEISA-N 284.812 3.517 30 20 CHED COc1ccc(CN[C@H]2CCc3cc(C)ccc32)cc1C#N 266229182 SZPWZSHFCHHOGS-SFHVURJKSA-N 292.382 3.652 30 20 CHED C=C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 268001091 WCTUBVZJDVZWDE-UHFFFAOYSA-N 287.256 3.637 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)=C1CCCC1 267877366 SERRUXPHSHSNMQ-UHFFFAOYSA-N 294.398 3.963 30 20 CHED C[C@@H]1C[C@H]1[C@H](Nc1nccc(C#N)n1)c1ccc(Cl)cc1 450358469 SBTHFXZVFGXBJX-VCTAVGKDSA-N 298.777 3.811 30 20 CHED C=CCCNC(=O)[C@H](C)Sc1ccccc1Cl 617614626 HXAQIZDMFPZJOK-JTQLQIEISA-N 269.797 3.513 30 20 CHED C=CCCC(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 274231000 SBGSFLDJZLCTJB-UHFFFAOYSA-N 299.374 3.689 30 20 CHED C#CC[C@H](NCc1csc(CC)n1)c1ccccc1 270182358 JRYMRLUTVXYQEP-HNNXBMFYSA-N 270.401 3.560 30 20 CHED Cc1ccc(C(=O)N2CC[C@H](C)C3(CCC3)C2)cc1C#N 367238936 RUVOSOFQXJPDPF-AWEZNQCLSA-N 282.387 3.519 30 20 CHED C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC(C)(C)C1 544066881 JTLGZROGLVKNPH-JTQLQIEISA-N 297.324 3.844 30 20 CHED CN(CCC(C)(C)C#N)CC1(c2ccccc2)CC1 275473811 PGCUOQVCJYTPCU-UHFFFAOYSA-N 256.393 3.590 30 20 CHED CC(C)n1cc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cn1 272326808 XDOLXOPCENWCFL-AWEZNQCLSA-N 294.402 3.676 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(SC)c1C 271753252 YCGOMOKAEBULNO-UHFFFAOYSA-N 276.405 3.923 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1Cc1cc(C#N)ccc1F 610004016 YWBHSNVGDRNFJG-LBPRGKRZSA-N 298.336 3.956 30 20 CHED COc1cc(C#N)ccc1OCCSCC1CCCC1 545501969 REFYRSQVPQPOHN-UHFFFAOYSA-N 291.416 3.869 30 20 CHED Cc1nnc(SC[C@H]2CCC[C@@H](C)C2)c(C#N)c1C 546189135 VWAIUWDWURBXSQ-MFKMUULPSA-N 275.421 3.884 30 20 CHED N#CCC[C@@H](NC(=O)NC12CCC(CC1)C2)c1ccccc1 368169640 XTTRSNBOJPBKNX-BFHRDPOASA-N 297.402 3.663 30 20 CHED CC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(F)F 453253964 XNMRWYQPWXPTNW-HUUCEWRRSA-N 278.346 3.959 30 20 CHED CCN(Cc1ccc(C#N)cc1OC(F)F)CC1CCC1 361482048 UBMTWRALZDKZJF-UHFFFAOYSA-N 294.345 3.782 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)c1ccccc1F)OCC 270024682 JZQMWKPOQUXZEP-XJKSGUPXSA-N 293.382 3.716 30 20 CHED CC(C)Oc1ccc2nccc(N3CCC(C#N)CC3)c2c1 450287444 KLGRVXAVHSEQLF-UHFFFAOYSA-N 295.386 3.762 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)[C@@]3(C#N)C[C@H]3C)C2)cc1 451709667 KRWOFFWCXKXUEO-LSBZLQRGSA-N 296.414 3.505 30 20 CHED COc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 275321859 TWQIAQMUWDJKTO-AWEZNQCLSA-N 280.371 3.760 30 20 CHED Cc1ccnc(N[C@@H]2CCc3ccc(F)cc32)c1C#N 543207036 JJZHFHADUHNZIH-OAHLLOKOSA-N 267.307 3.500 30 20 CHED C[C@@H](N[C@H](CCO)C1CCCCC1)c1ccc(C#N)cc1 271829950 DUZOZLGWJYTPBI-RDTXWAMCSA-N 286.419 3.540 30 20 CHED Cc1cccc(CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1Cl 277550658 MPOPZRPUULQWIA-INIZCTEOSA-N 292.810 3.636 30 20 CHED CC1(C#N)CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 541323101 DKERBVOVERYVGL-OAHLLOKOSA-N 274.795 3.953 30 20 CHED C=CCCN(C)Cc1csc(-c2ccccc2OC)n1 276505057 WRKSPMOTUNXSKG-UHFFFAOYSA-N 288.416 3.827 30 20 CHED C=C1CCN(C(=O)c2ccccc2NCCCC)CC1 270750428 JTROKUVNNPCFCD-UHFFFAOYSA-N 272.392 3.691 30 20 CHED CCc1cnccc1[C@@H](C)NCC#Cc1cccc(Cl)c1 542123952 SFQOMWNZXBYUGL-CQSZACIVSA-N 298.817 4.000 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@@H]1CCCC[C@H]1C 547419118 TYFLKEBWTRFJAT-OCCSQVGLSA-N 286.375 3.722 30 20 CHED Cc1ccc(NC(=O)COc2cc(C#N)ccc2C)c(C)c1 468955814 LACINNZWWGZHCA-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CCc1ccc(-c2ccc(CNC[C@@H](C)C#N)o2)cc1 544596589 SZDLJZXBVSJVIZ-ZDUSSCGKSA-N 268.360 3.758 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(F)c(F)c1 280650628 OEUVHJHKPAXUGC-RBOXIYTFSA-N 281.346 3.597 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)CCc2ccsc2)CC1 462784680 GLSNYMWHVMIAGY-HNNXBMFYSA-N 292.492 3.699 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](C)c1cccnc1 286932532 BYFOENVNKRIKPI-AWEZNQCLSA-N 275.396 3.578 30 20 CHED CO[C@]1(C)CCCN([C@H](C)c2cccc(C#N)c2)CC1 280588957 UEFMUFBPSBCYTC-RHSMWYFYSA-N 272.392 3.510 30 20 CHED COC[C@H](C#N)Nc1cc(-c2ccc(C)o2)ccc1C 280942765 IWXUNSKEWLTSBL-AWEZNQCLSA-N 270.332 3.514 30 20 CHED COCC(C)(C)CCCN[C@H](C)c1ccc(C#N)c(F)c1 286864846 BIVIDLMEOHLUOZ-CYBMUJFWSA-N 292.398 3.801 30 20 CHED C#CCCCC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 285856266 PVPWAVMFNYOXGS-SFHVURJKSA-N 283.415 3.759 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cccc(NC(=O)CCC)c1 464437017 MXQOCALCXNSBBH-ZDUSSCGKSA-N 288.391 3.966 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H]1CC[C@H](C)C1)c1ccccc1 469942057 UXPYAEDKOYYEAF-ZMSDIMECSA-N 271.404 3.993 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1c1cccs1 281402738 PSAAMMVWSWPUHL-OLZOCXBDSA-N 278.421 3.949 30 20 CHED C[C@@H](C(=O)N1CCCC2(CCCC2)C1)c1cccc(C#N)c1 462322770 FWLZSQLBWGWVSK-OAHLLOKOSA-N 296.414 3.845 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCc1ccc(F)cc1 280788581 JEWHDJLVUTTZRF-KYJSFNMBSA-N 291.410 3.718 30 20 CHED CCC(CC)N(CC)Cc1ccc(OCC#N)cc1 289483845 RZHVXJWGKIDQEB-UHFFFAOYSA-N 260.381 3.599 30 20 CHED C=CCC[C@H](NCCc1cnn(CC)c1)c1ccccc1 285255093 ZHTADPLKEHKRBU-SFHVURJKSA-N 283.419 3.743 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@H](CC(C)C)C1 555222891 HTLLWQPVSCZSJK-AWEZNQCLSA-N 288.439 3.604 30 20 CHED C=CC[C@@H](CC)NC(=O)c1[nH]c2ccccc2c1Cl 281843732 XNXOAPAGCIJLNR-SNVBAGLBSA-N 276.767 3.906 30 20 CHED C=CCOCCCN1CC[C@@H](C)[C@H]1c1cccc(F)c1 470778385 DNOHHOJRIGWZCS-PBHICJAKSA-N 277.383 3.801 30 20 CHED CCN(CCCC(C)(C)C#N)Cc1cccc(F)c1 471716462 UZRIJYKTUYHNHU-UHFFFAOYSA-N 262.372 3.978 30 20 CHED C=CCOCCCN1C[C@@H](c2ccc(C)cc2)C[C@H]1C 470865295 GAPXZRSTFOVIKW-AEFFLSMTSA-N 273.420 3.766 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)C[C@H](CC#N)c1ccccc1 476185855 BVFUEUGBQABEBV-HYVNUMGLSA-N 284.403 3.721 30 20 CHED C=CCC(C)(C)c1noc(-c2noc3c2C[C@@H](C)CC3)n1 551140972 XCUSCRMCBGXHKY-JTQLQIEISA-N 287.363 3.703 30 20 CHED C=CCOCCCN1CC[C@H](c2cc(C)cc(C)c2)C1 470770122 YARZIFSKUZUIID-KRWDZBQOSA-N 273.420 3.685 30 20 CHED C=CCC1(C(=O)Nc2nc(CC)cc(C3CC3)n2)CCCC1 556801884 MBBDIYQCWGSGLV-UHFFFAOYSA-N 299.418 3.991 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2cc(OC)ccc2c1 806611385 CSHDJEJYKBHYNT-LBPRGKRZSA-N 284.359 3.935 30 20 CHED C#Cc1ccc(CN2CCS[C@H](c3ccccc3)C2)cc1 809577769 CJYOWWLGGPKTOM-IBGZPJMESA-N 293.435 3.958 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H]1CCc2cc(Cl)ccc21 803786704 MDEBQCWKWJXUCG-ZFWWWQNUSA-N 277.751 3.810 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1S[C@H]1CCOC1 298449857 SIKOKZSREYGMJQ-AWEZNQCLSA-N 282.368 3.501 30 20 CHED CCCN(CC#N)C(=O)CC(C)(C)C1CCCCC1 475018963 MUTHELIVFFSLFJ-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C[C@H](NC[C@H]1COc2ccccc21)c1ccc(C#N)c(F)c1 290380433 RSIMXSMWCKQGSO-WFASDCNBSA-N 296.345 3.524 30 20 CHED C=CCCCCNC(=O)N(CC(C)C)CC(C)C 474084295 QMYQAIWUUBOJNI-UHFFFAOYSA-N 254.418 3.666 30 20 CHED C[C@@H](C#N)OCCN1CCCCC[C@H]1c1ccccc1 801913045 MZBCWBQYNLOUMZ-RDJZCZTQSA-N 272.392 3.532 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)c(F)cc1OC 297916210 XLIISJXXJJBCMY-UHFFFAOYSA-N 269.291 3.514 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C1CCC12CCC2 807989130 CLDWIBJDONWOKO-UHFFFAOYSA-N 259.309 3.635 30 20 CHED C=CCOCCCSc1ccnc2ccccc12 475972546 BDYSWWAMWWVHKG-UHFFFAOYSA-N 259.374 3.920 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](c2ccccc2)C1 647072532 NHKURTHEBSWQIG-SJLPKXTDSA-N 271.404 3.995 30 20 CHED N#Cc1ccc(OC(=O)OC2CCCC2)c(Cl)c1 809388897 HDXNLDMJMXVUOC-UHFFFAOYSA-N 265.696 3.670 30 20 CHED N#Cc1sc(Oc2ccc(Cl)nc2)nc1Cl 804561542 KFEWYKIMWZCITL-UHFFFAOYSA-N 272.116 3.509 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Cc1cncc2ccccc12 476175175 VFTBPMZIUAHQGJ-OAHLLOKOSA-N 296.414 3.838 30 20 CHED C[C@H]1CC(=NNc2cnnc3ccccc23)c2ccccc21 807972905 JXDIRRKGDBKBDL-LBPRGKRZSA-N 288.354 3.953 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)OCCCSCC#N 805532609 SIPLWPGNVPHXNN-GFCCVEGCSA-N 271.426 3.639 30 20 CHED Cc1ccc(COC(=O)CCCCCC#N)cc1F 805918479 VIAXWPFOYMLSRX-UHFFFAOYSA-N 263.312 3.651 30 20 CHED CC(C)(C#N)CCSCCOc1ccccc1F 561733983 LSGSLVYPQZHVJK-UHFFFAOYSA-N 267.369 3.878 30 20 CHED CC#CCCCC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 569027115 JPKJXMCAJYXINF-CABCVRRESA-N 263.425 3.853 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 294437625 GESZZULFSRRNGL-IUODEOHRSA-N 293.382 3.620 30 20 CHED Cc1cccc(C)c1OCCOC(=O)CCCCCC#N 805696954 MVYCGHPTTAWBDT-UHFFFAOYSA-N 289.375 3.700 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2C(=O)CCCCCC#N 808482113 JPCNOCTXLBNPJS-CQSZACIVSA-N 286.375 3.583 30 20 CHED C[C@@H](Cc1ccccc1F)N[C@H]1CCc2ccc(C#N)cc21 564383398 ZNOGRIHORYXUSH-DJJJIMSYSA-N 294.373 3.905 30 20 CHED C=CCC[C@@H](CO)N[C@@H]1CCCc2ccc(SC)cc21 564972625 LCEMHFGJPXXWGV-WMLDXEAASA-N 291.460 3.703 30 20 CHED c1ccc2sc(NN=C3CC[C@@H]3C3CC3)nc2c1 814684981 LAQPHWIUYOSWSB-SNVBAGLBSA-N 257.362 3.884 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCC1(C#N)CCC1 566161175 WLLREGBLUGILGI-UHFFFAOYSA-N 296.761 3.866 30 20 CHED COc1ccc(F)cc1C=NNc1c(F)cccc1F 812226850 VCDREFLKMQTOEE-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C[C@H]1CCC[C@@H](N2CCC(=NOC3CCC3)CC2)C1 812235792 QKXBQENECLFPCB-DZGCQCFKSA-N 264.413 3.586 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)cc1)c1cccc(C2CC2)c1 565874629 YSBCDAOABCVZDS-CYBMUJFWSA-N 290.366 3.927 30 20 CHED C#C[C@@H](/N=C/c1c(O)cccc1OC)c1ccc(Cl)cc1 811625816 WKWXBZFEXFAHQR-SKCQWOFPSA-N 299.757 3.848 30 20 CHED CCc1ccc(C(=O)/C=C/c2c(C)nn(C)c2Cl)s1 812494847 SECHOWWAMBZAJN-VOTSOKGWSA-N 294.807 3.902 30 20 CHED CC(=NNC[C@H]1CCSC1)c1cc(C)c(F)c(C)c1 811659774 YEVYMABOHHOOAL-CYBMUJFWSA-N 280.412 3.509 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NOCCC1CC1 814246240 XPZNFCJMJWOUAD-UHFFFAOYSA-N 276.336 3.720 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(c2ccc(C#N)c(N)n2)C1 565784450 IXIUQWJGDNJXJC-HNNXBMFYSA-N 292.386 3.513 30 20 CHED CCC(CC)CNN=Cc1conc1Cc1ccccc1 814906230 LFDPXRCTBYGYOG-UHFFFAOYSA-N 285.391 3.625 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)c1ccc(Cl)cc1 651351464 GFHJFMRDYIVTEG-WDEREUQCSA-N 251.757 3.524 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1C 488289421 FNXUYTFIHUZFNQ-YOEHRIQHSA-N 256.393 3.672 30 20 CHED C#Cc1cccc(NC(=O)c2cc3ccccc3nc2C)c1 819406116 RNAWRSOERDMQEK-UHFFFAOYSA-N 286.334 3.777 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@H]1CCCC 815337560 RDWGHWPIXRRQGD-VXGBXAGGSA-N 259.340 3.673 30 20 CHED CC#CCCCc1nc(C2(c3ccccc3)CCC2)no1 575954468 VUGNJAOLJGKZDI-UHFFFAOYSA-N 280.371 3.886 30 20 CHED N#Cc1c(F)cccc1/C=C1/Cc2ccccc2C1=O 811684894 DXIMKPOXXZCJIE-LCYFTJDESA-N 263.271 3.520 30 20 CHED C[C@@H]1C[C@@H](C)N(Cc2ccccc2C(C)(C)C#N)C1 487413970 SQCKSAOKVKCCAW-ZIAGYGMSSA-N 256.393 3.718 30 20 CHED C=CCC(C)(C)c1noc(-c2ncc(C)cc2C)n1 815706298 AKZJLGKSYYTWJH-UHFFFAOYSA-N 257.337 3.602 30 20 CHED CCCC(=NNc1ncccc1F)c1ccc(OC)cc1 814927397 MPFIWNYFNAXMCI-UHFFFAOYSA-N 287.338 3.846 30 20 CHED COc1ccc(F)cc1[C@@H](C)NCc1ccc(C#N)c(C)c1 488121822 GGERBKLNSZYIDM-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C=CCCCCCSCc1nnnn1-c1ccccc1 485599906 KCICMGODGKVZOW-UHFFFAOYSA-N 288.420 3.642 30 20 CHED CCCCC[C@@H](C(=O)N(C)CC(C)(C)C#N)C(C)C 817605137 MMKQYPKASUELMO-CQSZACIVSA-N 266.429 3.847 30 20 CHED Cc1cc(N(C)CC(C)(C)C#N)c(Cl)cc1[N+](=O)[O-] 814373873 YBZPSUQCDSWOGL-UHFFFAOYSA-N 281.743 3.543 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1ccccc1Cl)OC 812209736 FTOOPBFYRRJEHW-ZDUSSCGKSA-N 296.798 3.768 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ncnc2sccc12 814767656 OTOZBHSHGBIHLP-LLVKDONJSA-N 299.403 3.809 30 20 CHED N#Cc1ccc(SCc2cc3ccccc3o2)nc1 486906425 OVJLHKDYZQBXSE-UHFFFAOYSA-N 266.325 3.992 30 20 CHED C=CCC(C)(C)CNC(=O)CCCOc1ccccc1C 489931707 GZSXBGVORVKHKA-UHFFFAOYSA-N 289.419 3.873 30 20 CHED CCOCCON=C(C)c1nc(-c2ccccc2)cs1 814907596 PYRHILMCCIBWJC-UHFFFAOYSA-N 290.388 3.587 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1ccccc1C(F)(F)F 729074090 ABCMTKWSYGWYTP-JTQLQIEISA-N 288.265 3.592 30 20 CHED CCC(=NNc1nccnc1C1CCC1)c1cccc(N)c1 814932001 KGKJZESKXJCQNW-UHFFFAOYSA-N 295.390 3.553 30 20 CHED C=C1CCN([C@@H](C(=O)OCC)c2cccc(Cl)c2)CC1 483940246 DFFGJFHOBQNZQY-OAHLLOKOSA-N 293.794 3.596 30 20 CHED CCc1ccc(C=NNc2cnc3ccccc3n2)cc1 727258396 HPBPVRUZDQYSQS-UHFFFAOYSA-N 276.343 3.638 30 20 CHED Cc1nnc([C@H](C)Sc2cccc(F)c2C#N)s1 576479537 GFXGALMRRUQLND-ZETCQYMHSA-N 279.365 3.711 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](O)C12CCCC2 817573934 FFZYRUKRFSAVEH-HNNXBMFYSA-N 281.440 3.643 30 20 CHED C[C@@H](C#N)OC(=O)[C@@H](C)c1c(Cl)cccc1Cl 726027887 CZCCRONMAZAUOY-YUMQZZPRSA-N 272.131 3.552 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)s1 487023682 YLDRFYFCKUHRFU-UHFFFAOYSA-N 298.367 3.661 30 20 CHED C=CC[C@@H](C(=O)OCC1(COC)CCC1)c1ccccc1 811058345 LOHXNCMAQSXKQI-MRXNPFEDSA-N 288.387 3.706 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(C(F)F)c1 489984206 OASKLZCQDVABGW-UHFFFAOYSA-N 276.286 3.864 30 20 CHED CC#CCN(Cc1ccc(Br)cc1)C(C)C 577551383 PAMMHICPEPJCCU-UHFFFAOYSA-N 280.209 3.683 30 20 CHED C=CCCCCCN1CC[C@@H](n2cc(Cl)cn2)C1 572411886 INLJOMQRBXPRAK-CQSZACIVSA-N 267.804 3.530 30 20 CHED C=CCCC(=O)NC[C@H](C)Oc1ccc(C(C)C)cc1 570953073 SAGGOQCVTFEDPY-AWEZNQCLSA-N 275.392 3.660 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1ccc(C#N)c([N+](=O)[O-])c1 574682821 DKSUFYHSOJOQHM-MRXNPFEDSA-N 293.326 3.874 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 497618439 BCSZBRNIIPMTKG-UHFFFAOYSA-N 293.366 3.992 30 20 CHED CCCc1ccc(N[C@H](C(=O)O)c2cccc(C#N)c2)cc1 829567059 XGXNRQNCEPZNMG-KRWDZBQOSA-N 294.354 3.749 30 20 CHED C=CCOC(=O)/C=C\c1cccc(OC2CCCC2)c1 727885986 NBDNCMRRNVXSOE-KHPPLWFESA-N 272.344 3.750 30 20 CHED C=C(C)CCc1noc(-c2cc(SC)ccc2O)n1 664878260 WAFKMGXWUJPJRN-UHFFFAOYSA-N 276.361 3.673 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC2(CCSCC2)CC1 828014522 JVAYGBHEHJRKAO-AWEZNQCLSA-N 281.465 3.725 30 20 CHED C=CCOCCN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 666126251 DJJJMXZCNDKQLV-ZBFHGGJFSA-N 279.811 3.768 30 20 CHED C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1ccccc1C(C)C 491338316 HUCMSCAKRBXDIG-LSDHHAIUSA-N 286.419 3.529 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1ccc(F)cc1F 727258907 WKVLSVVCXLJWKY-UHFFFAOYSA-N 298.296 3.744 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1 581951964 TVVAHGURZFIYAC-OWSLCNJRSA-N 296.414 3.708 30 20 CHED C#CC(C)(C)NC(=O)/C=C/c1cccc(OC2CCCC2)c1 733976439 DCUMMWMFLOBIKZ-OUKQBFOZSA-N 297.398 3.549 30 20 CHED CC(C)(C)c1csc(CNC(=O)CCCCCC#N)n1 588351082 UZGJQJZTIKAXHU-UHFFFAOYSA-N 293.436 3.531 30 20 CHED C=CCCCCOc1ccccc1-c1ccnn1C 580054444 AKRHZYPPUQWBCQ-UHFFFAOYSA-N 256.349 3.822 30 20 CHED CCCCCCC[S@](=O)Cc1nc2ccccc2[nH]1 905183995 LKGCQCHQQNOWJA-IBGZPJMESA-N 278.421 3.782 30 20 CHED C=CCCCOC(=O)c1cc2ccccc2cc1NC(C)=O 735528367 RCZTXCYFLBBAPH-UHFFFAOYSA-N 297.354 3.921 30 20 CHED C=C(Cl)CNC(=O)c1cc(Cl)ccc1OC(C)C 736246597 BDTWUGJLRVWGQN-UHFFFAOYSA-N 288.174 3.610 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ncc(Cl)cc1C 905713896 KZZNUPCUYLUJGI-JTQLQIEISA-N 252.745 3.584 30 20 CHED C=CCCCOC(=O)/C=C(\C)Cc1ccccc1OC 735534507 SDVREWLNSOXKSR-BUHFOSPRSA-N 274.360 3.693 30 20 CHED C=CCCCCCN(C)C(=O)c1scnc1Cl 739656027 YJSYQGSMBDDSLU-UHFFFAOYSA-N 272.801 3.615 30 20 CHED C#CCCCC(=O)N1CC[C@H](C)c2cccc(C)c21 839386397 QTLRCRYXZSJXRX-ZDUSSCGKSA-N 255.361 3.639 30 20 CHED CC(=NNc1ccc(Cl)cc1F)[C@@H]1C[C@H]2CC[C@H]1O2 901317694 MTCPBSGERZGHGS-UHIISALHSA-N 282.746 3.834 30 20 CHED CCc1ccc([C@@H](Nc2ccnc(C#N)n2)C(C)C)cc1 582252121 WDXUPPCVGFIPCY-KRWDZBQOSA-N 280.375 3.720 30 20 CHED C/C(=C\C(=O)NCC(C)(C)CC#N)c1cccc(Cl)c1 837889383 SRQLFTTUPUTORF-FMIVXFBMSA-N 290.794 3.799 30 20 CHED C=CCC1(c2nc(-c3ccccc3F)no2)CCC1 583406049 LWYOIHLVBQHCBL-UHFFFAOYSA-N 258.296 3.874 30 20 CHED CCC(COC)=NNc1ccc(Br)cc1C 735971713 SQBNCDRRTIOIFX-UHFFFAOYSA-N 285.185 3.582 30 20 CHED Cc1cc([C@H](C)NCc2cc(C#N)ccc2F)cs1 834672205 CQSPEBHMKRCKIQ-NSHDSACASA-N 274.364 3.918 30 20 CHED C=CCC1(C(=O)Nc2cccc3c2COC3=O)CCCCC1 832838767 ZEJPVNIBSKWPKA-UHFFFAOYSA-N 299.370 3.822 30 20 CHED C=C(Br)CN1C[C@H](c2ccccc2)C[C@H]1C 734641187 XCCJDFSLCHSWNP-TZMCWYRMSA-N 280.209 3.773 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCCC[C@@H]1CCC 679288876 XXOZBMVOPSPJQC-UONOGXRCSA-N 252.402 3.563 30 20 CHED C=C(Cl)CNC(=O)CCc1ccc(Cl)c(Cl)c1 736241828 DVKLCPPTWZVPAH-UHFFFAOYSA-N 292.593 3.795 30 20 CHED Oc1cccc(/C=N\Cc2cc3c(s2)CCCC3)c1O 915980796 CZYVRLFHPFTPJM-MFOYZWKCSA-N 287.384 3.657 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cc(F)ccc2OC(F)F)C1 595094002 RUDWJGCMAJJPSO-GXFFZTMASA-N 298.308 3.599 30 20 CHED N#CCC1CCN(CCSc2ccc(F)cc2F)CC1 595424124 FMLWFYLGAWIKHG-UHFFFAOYSA-N 296.386 3.683 30 20 CHED N#Cc1ccc(CCN2CC[C@@H](c3ccc(F)cc3)C2)cc1 595338459 IIZDXBCZGOZZBD-GOSISDBHSA-N 294.373 3.729 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)c1cscn1 918711373 LFBJPFJEXQHUIC-UHFFFAOYSA-N 286.385 3.713 30 20 CHED COCc1ccc([C@@H]2CCCN2[C@H](C#N)c2ccccc2)o1 595443761 XVWXBBJOWORPIV-DLBZAZTESA-N 296.370 3.828 30 20 CHED C=C(Cl)CNc1ccc(C(=O)NC(C)(C)CC)cc1 849313657 IIDVXQARLNUOQT-UHFFFAOYSA-N 280.799 3.769 30 20 CHED C#CCOc1ccc(C(=O)N(C)C2CCC(CC)CC2)cc1 741534478 LYSJOHRGEZFPTN-UHFFFAOYSA-N 299.414 3.739 30 20 CHED CC[C@H](OCCN(CC)C[C@H](C)C#N)c1ccccc1 593001832 KGGGRMXNFNCIET-WBVHZDCISA-N 274.408 3.636 30 20 CHED N#Cc1ccc2nc(N3CC[C@H](C4CCC4)C3)ccc2c1 591204304 QIFKUKIDOKVKMD-INIZCTEOSA-N 277.371 3.733 30 20 CHED C=C(C)CONC(=O)Nc1cccc(OCCC(C)C)c1 844520546 NQLFKIUFHXFQPX-UHFFFAOYSA-N 292.379 3.741 30 20 CHED CC[C@@H](C)C(C)=NNc1nc2cc(F)c(F)cc2[nH]1 912817697 DNIWGVJPDGHFNT-SSDOTTSWSA-N 266.295 3.675 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1ccc(C3CC3)cc1)C2=O 840721554 XZQNOIGDSSGBRS-XNTDXEJSSA-N 278.355 3.510 30 20 CHED C[C@@H]1[C@@H](C(F)(F)F)CCN1[C@@H](C#N)c1ccccc1 595471028 ZBRSLUQDOLBWAO-WXHSDQCUSA-N 268.282 3.524 30 20 CHED N#Cc1ccc(OCCN2CC[C@H]2c2ccc(F)cc2)cc1 595699759 AGWMMGYWPKBIDK-SFHVURJKSA-N 296.345 3.523 30 20 CHED C=CCCSCCN[C@H](CCC)c1ccccn1 595059449 OLSYNSTUZSTUHD-CQSZACIVSA-N 264.438 3.822 30 20 CHED C=CCCSCCNC(=O)Nc1cc(C)ccc1F 596450782 KYTBLVZHXOQESQ-UHFFFAOYSA-N 282.384 3.565 30 20 CHED FC(F)(F)CON=C1CCc2cccc(Cl)c2C1 841630089 GGLIRRNQVGEASW-UHFFFAOYSA-N 277.673 3.764 30 20 CHED CCCC[C@H](SCCc1ccc(C#N)cc1)C(=O)OC 594899470 HYBKBSMRMUMUNK-HNNXBMFYSA-N 291.416 3.566 30 20 CHED CCN(C(=O)/C=C\c1ccccc1)c1ccc(C#N)cc1 742222996 CZBJSXVNDDIFJQ-RAXLEYEMSA-N 276.339 3.625 30 20 CHED CCCCC[C@@H](C)CC(=O)N[C@@H](C#N)CC(C)C 742617559 LYRNNRUVPXAKIB-ZIAGYGMSSA-N 252.402 3.647 30 20 CHED N#CCC1(COc2cccc(NC(=O)c3ccco3)c2)CC1 596257185 JZGLEZSZKMTCFZ-UHFFFAOYSA-N 296.326 3.605 30 20 CHED C=CCCCCNC(=O)c1cc(-c2ccccc2F)on1 681146463 YGHQAIWVYXYERC-UHFFFAOYSA-N 288.322 3.567 30 20 CHED C=C[C@H](OC(=O)c1cnc2n1[C@H](C)CCC2)C(C)(C)C 845554027 CWXBIIZSFQHNPK-YPMHNXCESA-N 276.380 3.538 30 20 CHED C[C@H](O)CN(CCCCC1(C#N)CCC1)C1CCCCC1 929532869 UDQHRRSMUKTYSJ-INIZCTEOSA-N 292.467 3.866 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3c(c2)CCC3)c1 920942369 AJDNXELSJSGNLP-UHFFFAOYSA-N 282.299 3.540 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1cc2ccccc2o1 759346912 QXYGLYRJMRBESP-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CSCC1CCC(=NN2CCCC[C@H]2C)CC1 853382342 YDGPCARLNBFQCO-PZORYLMUSA-N 254.443 3.770 30 20 CHED C=CCCONC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 856032559 QSZITUCXCNYJPR-SJORKVTESA-N 281.355 3.567 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 929570727 TZUNABFIFRZBPO-STQMWFEESA-N 263.356 3.947 30 20 CHED Cc1ccc(Br)cc1CON=CC1CC1 853736038 JLXQCUWBDMWSFT-UHFFFAOYSA-N 268.154 3.670 30 20 CHED C=CC[C@H](C)NC(=O)/C(C)=C/c1cccc(Cl)c1 759127010 RIIQRIZLVPCCCV-ZKQHCESOSA-N 263.768 3.824 30 20 CHED CC(C)C(=NNc1nc2cc(F)c(F)cc2[nH]1)C1CC1 750937232 IDPFSHBQGKFZCW-UHFFFAOYSA-N 278.306 3.675 30 20 CHED C#CC[C@H](NC(=O)N(CC)[C@H](C)C(C)C)c1ccccc1 757779871 XOSKTRONIAWOHH-WBVHZDCISA-N 286.419 3.827 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C(C)=C(C)C 751375358 DRAPGOWLWURKJR-UHFFFAOYSA-N 250.386 3.521 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)C1CCCC1 750678423 LPNULHWGDIMPAI-JSGCOSHPSA-N 295.386 3.576 30 20 CHED C#CCCCC(=O)Nc1nc2c(Cl)cccc2s1 759339798 WVKUQGHBGPHUCH-UHFFFAOYSA-N 278.764 3.692 30 20 CHED CC(=O)Nc1cccc(C(C)=NNc2cccc(F)c2)c1 920384542 WVEUJIVPRZLJKB-UHFFFAOYSA-N 285.322 3.620 30 20 CHED CCOc1ccc(N=Cc2ccccc2O)cc1OCC 920941998 DZHYAVASBCRCLO-UHFFFAOYSA-N 285.343 3.940 30 20 CHED CC(C)OC1CCN(c2nc3ccccc3cc2C#N)CC1 750029999 ZKOQDZFZTKSHAX-UHFFFAOYSA-N 295.386 3.500 30 20 CHED C=CCSCCNC(=O)/C(C)=C\c1cccc(Cl)c1 758819836 GZEKVZQNDLLJHU-BENRWUELSA-N 295.835 3.779 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(C(F)F)nc1 851206194 PDBWKBLOVBORJN-VIFPVBQESA-N 282.290 3.504 30 20 CHED COc1ccc(C)cc1C(C)=NNc1cc(C)ccn1 755902358 JYWODGLTQZRWGM-UHFFFAOYSA-N 269.348 3.543 30 20 CHED Clc1cccnc1NN=C[C@H]1C[C@H]1c1ccccc1 755654342 JAONJMYSEHWBTM-OLZOCXBDSA-N 271.751 3.936 30 20 CHED CCCCCCCNC(=O)NC[C@H](C)c1nccs1 858112242 JIGPGNAVBCBFJN-LBPRGKRZSA-N 283.441 3.516 30 20 CHED CCSc1ccc(Cl)cc1C(=O)O[C@H](C)C#N 752573629 NSPRPBFCIVDPCJ-MRVPVSSYSA-N 269.753 3.521 30 20 CHED C#CCCCCNC(=O)NCc1ccc(Cl)c(Cl)c1 852200411 CHDSOVRSHZGUOA-UHFFFAOYSA-N 299.201 3.596 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc(F)cc1O 757475042 GBIRNKLDWMHAFE-YVMONPNESA-N 296.297 3.746 30 20 CHED COc1ccc(NN=C(C)c2ccc(OC)c(F)c2)cc1 750926574 ZZSVEUQQNAUZCL-UHFFFAOYSA-N 288.322 3.679 30 20 CHED CCCCN(C)c1ccc(NC(=O)C2(C#N)CC(C)C2)cc1 758229107 ZAVGYUICSJBUEH-UHFFFAOYSA-N 299.418 3.801 30 20 CHED N#CC1(c2ccccc2-c2cnn([C@H]3CCCCO3)c2)CC1 854211351 WIAGREZOYIMAQY-QGZVFWFLSA-N 293.370 3.804 30 20 CHED CCCCCCCCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 754189556 QJEQRERHMNEIJG-DJIMGWMZSA-N 293.451 3.811 30 20 CHED C#Cc1ccc(NC(=O)NCc2nc(C(C)C)cs2)cc1 934930868 CDOOPUAPUZVMLZ-UHFFFAOYSA-N 299.399 3.570 30 20 CHED C=CCCC(=O)CON=C(c1ccccc1)C(F)(F)F 751954834 FKHBWMRVIDLVSC-UHFFFAOYSA-N 285.265 3.505 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccncc2CC)cc1 766771573 FHOFHUNBCUKOIA-JXMROGBWSA-N 281.355 3.939 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@]2(CCc3ccccc3O2)C1 936029383 AUPSLSGGKGCYFV-HNAYVOBHSA-N 299.414 3.585 30 20 CHED C[C@H]1C[C@H](Nc2ccc(F)cc2OCC#N)CC[C@H]1C 768519731 WDVAWOMIAGNNFC-MBNYWOFBSA-N 276.355 3.965 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)Cc2ccccc2Cl)n1 766397294 AHKZUGFPYLOWES-GFCCVEGCSA-N 285.778 3.958 30 20 CHED CC/C=C/CCON=C1CCN(C(=O)C(CC)CC)CC1 768925670 FXFDCPGYBAKURJ-BQYQJAHWSA-N 294.439 3.774 30 20 CHED Cc1noc(C)c1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 763291306 WBAONNSVRVYWBD-WFSQQTBHSA-N 279.339 3.991 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNc1ncc(F)cn1 760266284 SSXBKHNTPUFPJX-GFCCVEGCSA-N 264.348 3.786 30 20 CHED CCO[C@@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)C(C)C 760591064 ZUTQBFYTCXQZBR-BBRMVZONSA-N 289.375 3.614 30 20 CHED C(=NNc1ncnc2sccc12)[C@H]1C[C@H]2CC[C@H]1C2 762418655 RKWRAADTWJLLAV-GARJFASQSA-N 272.377 3.525 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H]1CCO[C@@H](C)C1 769734701 DOJRBEJAWZEGBG-HOTGVXAUSA-N 298.471 3.946 30 20 CHED C#CC[C@H](OC(=O)c1cccc(C(C)C)n1)c1ccccn1 762073629 CHAQQMNKLPPTCC-KRWDZBQOSA-N 294.354 3.521 30 20 CHED FC(F)(F)c1csc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)n1 762420412 FVUDKAMQONWIJI-XHNCKOQMSA-N 289.326 3.996 30 20 CHED COc1cc(C#N)ccc1CN1CCc2cc(Cl)ccc21 864027951 NDBVASOFRMOIAW-UHFFFAOYSA-N 298.773 3.783 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccccc1SCc1ccco1 767254411 HEVJSNQBELQGAJ-CYBMUJFWSA-N 299.395 3.666 30 20 CHED CC1(C)CCC(C=Nn2c(S)nnc2C(C)(C)C)CC1 764666928 VPQFOTZCTRLNIK-UHFFFAOYSA-N 294.468 3.915 30 20 CHED N#Cc1ccnc(S[C@@H]2CCc3ccccc3C2)c1 763179833 IEKUHMYSQPVHEU-OAHLLOKOSA-N 266.369 3.603 30 20 CHED N#Cc1ccc(OC(=O)c2cc3cc(F)ccc3o2)cc1 864903632 HDNBXBHDQINOSY-UHFFFAOYSA-N 281.242 3.663 30 20 CHED Cc1ccsc1C=NNc1ncnc2ccsc12 764836392 ZDTJFUBWMDPESN-UHFFFAOYSA-N 274.374 3.507 30 20 CHED CC#CCCSCCOc1ccc(OCC)cc1 764939918 LLLSJHWXLOUWJU-UHFFFAOYSA-N 264.390 3.611 30 20 CHED CN(Cc1cc2ccccc2[nH]1)c1ccc(C#N)cc1F 1116227742 RSSYSLKNVTTXGN-UHFFFAOYSA-N 279.318 3.815 30 20 CHED COc1ccsc1/C=C1\COc2ccc(F)cc2C1=O 764431683 DSJIAGBBYKJKND-RMKNXTFCSA-N 290.315 3.555 30 20 CHED C#CCCOc1ccc(CN[C@H](C)c2ccccc2O)cc1 877756450 JCYJRAHBTYGUJC-OAHLLOKOSA-N 295.382 3.645 30 20 CHED CC(C)c1ccc(CC=NNc2cncc(Cl)n2)cc1 760250447 MPAUOVYEBZVPJN-UHFFFAOYSA-N 288.782 3.894 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1Cc1ccccc1 878053262 DEOGFVBBIUWIHI-INIZCTEOSA-N 271.404 3.822 30 20 CHED C#CC[C@H](NC(=O)N1CCCC[C@H](C)C1)c1ccccc1 776169521 KQIJDMVEYWQJAI-RDJZCZTQSA-N 284.403 3.583 30 20 CHED COc1cccc(NN=C(C)c2ccc(Cl)cc2)n1 779818481 ZQXANVVFAVZNKZ-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CCOc1cc(Cl)ccc1C(=O)OCCC(C)(C)C#N 778892566 NAKCSKCWVVDZKL-UHFFFAOYSA-N 295.766 3.835 30 20 CHED C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(N(C)C)cc1 775827911 MEXXKPWRSGQBBK-CYBMUJFWSA-N 297.377 3.614 30 20 CHED O=C(CC(F)(F)C(F)(F)F)OC1CCC(F)(F)CC1 875849108 UZBYTDIUNYAQNN-UHFFFAOYSA-N 296.182 3.695 30 20 CHED FC(F)(F)CCON=C1CCc2ccccc2C1 777464225 RHODRKRXROECBY-UHFFFAOYSA-N 257.255 3.500 30 20 CHED C=CC(C)(C)CC(=O)N1CC(Cc2cccc(C)c2)C1 879118922 TZIRHHNWWNYYAU-UHFFFAOYSA-N 271.404 3.598 30 20 CHED C#CCOc1ccccc1CN[C@@H]1c2ccccc2C[C@H]1C 772987306 IFQJRLIRLATKFT-QRWLVFNGSA-N 291.394 3.722 30 20 CHED N#CCc1ccc(COC(=O)CCc2ccccc2F)cc1 776109938 GIXHGOFOKDSASN-UHFFFAOYSA-N 297.329 3.568 30 20 CHED C=CCN(C)C(=O)c1ccc2c(c1)-c1ccccc1C2 777839945 IEFIYQMWDWYJSW-UHFFFAOYSA-N 263.340 3.516 30 20 CHED C#CC[C@@H](NC(=O)C1=CCCCCC1)c1ccccc1 775458718 FGJIMVUDZZOIOK-QGZVFWFLSA-N 267.372 3.758 30 20 CHED Cc1cc(C#N)ccc1OCc1ccc(CF)cc1 777542588 RXDVPJRVQDKGRB-UHFFFAOYSA-N 255.292 3.915 30 20 CHED C=CC[C@@H](C(=O)NCCCC(F)F)c1ccccc1 1120077561 GWFWQSRKQUYLBS-CYBMUJFWSA-N 267.319 3.508 30 20 CHED C#CCCCCCC(=O)N[C@@H](CC(F)(F)F)C(C)C 782948966 HHEOXHAYUSMGFQ-LBPRGKRZSA-N 277.330 3.663 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1cccc(C)c1 782410741 YSDNHQSFZIIYKI-CQSZACIVSA-N 260.406 3.732 30 20 CHED C=CC(C)(C)CC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 880106765 MKCPZTXCHCLMBR-HNNXBMFYSA-N 272.392 3.593 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(C)cc1C 83492945 CPMXYXWEHPGGQZ-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)OCCCC(C)(C)C#N 783214341 FFJINOROLXIKDJ-CYBMUJFWSA-N 291.366 3.877 30 20 CHED C=CCCOC(=O)Cc1nc(-c2ccc(F)cc2)cs1 787004007 KRZAJXGIMVWKFU-UHFFFAOYSA-N 291.347 3.611 30 20 CHED CC1(C)CCC[C@@H](CNCc2ccc(C#N)cc2)C1 1560506335 AMAKXCRUTURTLV-MRXNPFEDSA-N 256.393 3.864 30 20 CHED C#CCCCCCC(=O)OCCOc1ccc(C)cc1 780264548 PTROOWGFFUAODH-UHFFFAOYSA-N 274.360 3.501 30 20 CHED C=C1CN(C(=O)/C=C(/C)c2ccccc2C(F)(F)F)C1 898697336 UERLCTXQCVIEKM-XFFZJAGNSA-N 281.277 3.507 30 20 CHED C=CCN(CC=C)Cc1nnc(-c2ccc(Cl)cc2)o1 72591962 DYFACEANBXAWJE-UHFFFAOYSA-N 289.766 3.564 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccoc1 783877070 GPXCTTCIFWCXMA-UHFFFAOYSA-N 259.696 3.641 30 20 CHED C[C@@H](OC(=O)C12CCC(CC1)C2)c1cccc(C#N)c1 784865654 ZEUNZQZOQYZXON-SFYCDEOASA-N 269.344 3.743 30 20 CHED CCOc1ccc(/C=N\C[C@@H](SC)C(C)(C)C)c(O)c1 783681389 FJBWJFLEBCSSKM-DISPHTKASA-N 295.448 3.988 30 20 CHED COc1ccc(CCCNc2ccc(C#N)cc2)cc1 76286788 WNBRGQPTHXRLOC-UHFFFAOYSA-N 266.344 3.612 30 20 CHED CSCCON=Cc1csc(-c2ccc(F)cc2)n1 794577294 UERHGGXOXKJSNI-UHFFFAOYSA-N 296.392 3.663 30 20 CHED COc1ccc(NN=C2CCC[C@@H]2CCF)cc1 794924690 ZKXNEXHFUGSXPZ-LLVKDONJSA-N 250.317 3.623 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1ccsc1 794935796 UREBFGQSGYDHPY-IWQZZHSRSA-N 266.268 3.628 30 20 CHED C=C(C)CNC(=S)Nc1cc(C)cc(C(F)(F)F)c1 792694855 JLXZYLNALZPBTL-UHFFFAOYSA-N 288.338 3.876 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 795005410 ULDRUVKQUJTEDW-UKRRQHHQSA-N 292.423 3.502 30 20 CHED FC(F)(F)CCNN=Cc1cccc(-c2ccccn2)c1 794546260 SFDXOIVKACXVCS-UHFFFAOYSA-N 293.292 3.625 30 20 CHED FCC[C@H]1CCCC1=NN=c1cc[nH]c2ccccc12 794908185 AZQBYTKNXLADIV-GFCCVEGCSA-N 271.339 3.584 30 20 CHED C#C[C@@H](NC(=O)c1cccc(-c2nc(C)cs2)c1)C(C)C 799045741 QWYKFOOJPSSSHL-OAHLLOKOSA-N 298.411 3.506 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc3c2OCCCO3)oc1C 799895090 KXDWXQSCZIDWEY-FPLPWBNLSA-N 298.338 3.954 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc(C)c(C)c1 794552440 NITKRVYEQBHGIH-UHFFFAOYSA-N 258.287 3.569 30 20 CHED CSCCCSCc1ccc(CC#N)cc1 399034272 NQEQBDSRKGQDHQ-UHFFFAOYSA-N 251.420 3.739 30 20 CHED C#C[C@@H](N[C@H](CC)c1ccc(F)cc1F)C(C)C 798398967 ZTAUKZCIWPGQGQ-HUUCEWRRSA-N 251.320 3.663 30 20 CHED COC(=O)c1cc(NN=C(C)CC2CCC2)ccc1C 793098438 SZBUWJYZZCIIQI-UHFFFAOYSA-N 274.364 3.760 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc(C#N)c(Cl)c1 798375576 KMBLTHQPMPLJMO-LLVKDONJSA-N 293.823 3.853 30 20 CHED CC(C)Oc1c(F)cc(N[C@@H]2CC[C@H](C#N)C2)cc1F 799723241 BAXWFKFXEQTWAO-WDEREUQCSA-N 280.318 3.856 30 20 CHED Cc1cc(C=NNc2ncccc2F)cc2cccnc12 794986277 ZSILAFAFUZZWQO-UHFFFAOYSA-N 280.306 3.523 30 20 CHED CCCC(Cc1ccccc1)=NOCCSC 794571979 INXUNPXZWUXSLL-UHFFFAOYSA-N 251.395 3.765 30 20 CHED N#Cc1ccc(-c2cccc(CNCc3ccon3)c2)s1 1200654262 JZCZDYIVLZLSIC-UHFFFAOYSA-N 295.367 3.565 30 20 CHED C=CCCCCCN1CCN(C2CCCCC2)CC1 193402911 XMMHTIYTZOYXBU-UHFFFAOYSA-N 264.457 3.683 30 20 CHED C#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(C)C 799042764 OCSFDUAOFAJZBU-QYZOEREBSA-N 291.394 3.717 30 20 CHED CC1(C)C[C@@H](NN=Cc2ccc(C(F)F)cc2)CCO1 794535138 GARROVCJSOKFBK-ZDUSSCGKSA-N 282.334 3.505 30 20 CHED CC(C)(C)c1nc(CNCc2ccc(C#N)cc2)cs1 77170698 NPWPWQXUCZBNRQ-UHFFFAOYSA-N 285.416 3.602 30 20 CHED C[C@H](CC#N)NC(=O)c1cc2cccc(Cl)c2s1 1145056008 LBFRMDWATOVPSJ-MRVPVSSYSA-N 278.764 3.587 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@H]2CCCC[C@@H]21 93396549 RQGVGYZJAZDVPY-DOMZBBRYSA-N 258.340 3.856 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(C)(C)C1(C)C 1319831563 ICVHBNOMKWSTTE-LBPRGKRZSA-N 252.402 3.561 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CC)c1cc(C)ccc1C 1234561482 YSDWJHREFIDEPC-CQSZACIVSA-N 280.799 3.806 30 20 CHED CC[C@@H](CC(C)C)C(=O)OCc1ccc(C#N)s1 1326884702 ADTRRVPIJXUXKU-NSHDSACASA-N 265.378 3.735 30 20 CHED C#CCCN(Cc1ccc2c(c1)CCC2)CC(F)(F)F 1321230120 XKLNKQQVEYXAHQ-UHFFFAOYSA-N 281.321 3.563 30 20 CHED C#C[C@H](CC)NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1255771582 CXJKAJGTAUYLOY-LLVKDONJSA-N 298.213 3.799 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2cccc(F)c2C#N)C1 1181196568 RHPQQNPIBKDKQQ-AWEZNQCLSA-N 274.383 3.955 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H]1CCCc2ccccc21 1335578173 VUFCHWQNLHMBLB-MRXNPFEDSA-N 257.377 3.879 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@H]1NCc1cccc(OCC#N)c1 1330315407 IVYOPSHPXXQUSH-IXDOHACOSA-N 284.403 3.503 30 20 CHED CCc1nc(C#N)cc(Oc2cccc3c2CCCC3)n1 1185582015 AONBZAOBOMDBHS-UHFFFAOYSA-N 279.343 3.582 30 20 CHED C[C@@]1(C(=O)Oc2ccc(C#N)cc2)CCc2ccccc2C1 1252301812 TYFCKLZGKAHTSH-LJQANCHMSA-N 291.350 3.659 30 20 CHED Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC1(CC#N)CC1 1339733768 XIMVCVVTYPVQFU-CHWSQXEVSA-N 270.376 3.532 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1 1332609295 ITYVZYWOUXEBMI-HOTGVXAUSA-N 282.387 3.519 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)nc1 1256038598 ZOBCFIBBSPCJQN-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C=CCCc1noc(C2(c3ccccc3OC)CCC2)n1 1344438838 OJCGSTPOOLYZDA-UHFFFAOYSA-N 284.359 3.667 30 20 CHED Cc1c(F)cccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 1265620736 SLYALBUCPIWPIJ-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C=CCC1(NC(=O)CCc2cccc(O)c2)CCCCC1 1347663491 XMRCYUYHIZRQNF-UHFFFAOYSA-N 287.403 3.720 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)[C@H](C#N)c1nccn1C 1342268549 NSPRYHCQKRDZHW-GJZGRUSLSA-N 287.407 3.593 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 1342111236 OGERAUMEOBJOFV-YOEHRIQHSA-N 297.402 3.759 30 20 CHED C[C@H](OC(=O)c1ccsc1C#N)c1ccccc1 1274961368 MVDCXKNTBGJQHA-JTQLQIEISA-N 257.314 3.538 30 20 CHED C=C(C)CCC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 1357991644 HYNPLPNVKDQEQF-OAHLLOKOSA-N 299.374 3.709 30 20 CHED CCN(C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccc(C#N)cc1 1360939641 XKEYMLDAQFOANR-IIAWOOMASA-N 284.403 3.983 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1nc(-c2ccccc2)cs1 1518562191 IKDKQZPVNWOHND-ZDUSSCGKSA-N 299.399 3.574 30 20 CHED COc1ccccc1SCc1cccc(C#N)c1F 219766340 DPZUGMKUZJYWNF-UHFFFAOYSA-N 273.332 3.998 30 20 CHED N#Cc1nccc2c(Cl)ccc(Br)c12 521400567 BDWABUILJMMWDD-UHFFFAOYSA-N 267.513 3.522 30 20 CHED CC(=O)c1ccc(C(=O)Nc2scc(C)c2C#N)cc1C 1539627267 MWSCSVOJUNLLDP-UHFFFAOYSA-N 298.367 3.692 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1544184776 LTNXESJRTFKEKW-BQFCYCMXSA-N 284.403 3.927 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(Cl)ccn2)cc1 114121930 IBZMSFPJTGGPGA-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C[C@@]1(c2ccccc2)CCCN(Cc2cccc(C#N)n2)C1 1621164303 WXTHVWADXGRPLO-LJQANCHMSA-N 291.398 3.507 30 20 CHED Cc1ccccc1CNc1ccc(OCC#N)cc1 20126391 WLIDIJCLYKNDCJ-UHFFFAOYSA-N 252.317 3.510 30 20 CHED Cc1ccccc1NC(=O)Nc1cc(C#N)c(F)cc1F 1563202369 HGSZMRANZCMDLR-UHFFFAOYSA-N 287.269 3.789 30 20 CHED Cc1ccc([C@H]2CCCCN2Cc2cccc(C#N)n2)cc1 1560701839 SIULLGWHBBPITG-LJQANCHMSA-N 291.398 3.989 30 20 CHED N#CCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 5155869 HYMLXSBUDHUSEG-XCVCLJGOSA-N 281.286 3.624 30 20 CHED N#Cc1cccc(CN2CC3(CCCC3)c3ccccc32)n1 1659400770 OHRXIPYUYDLIIB-UHFFFAOYSA-N 289.382 3.785 30 20 CHED C[C@H](c1ccccc1)n1cc(Nc2cccc(C#N)n2)cn1 1655598361 LRFYTBMIIKVCOX-CYBMUJFWSA-N 289.342 3.503 30 20 CHED N#Cc1nc(NCCc2ccc(F)cc2F)sc1Cl 1651519004 DMSDYCXEOCXVCN-UHFFFAOYSA-N 299.733 3.601 30 20 CHED CC[C@H](C)Oc1cc(Oc2ccc(C#N)cc2C)nc(C)n1 1650712701 YMIGIIPWVIOKSP-LBPRGKRZSA-N 297.358 3.935 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1F 1595562947 AANRHAYPXAVRTD-LRDDRELGSA-N 288.366 3.738 30 20 CHED Cc1csc(NC(=O)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C#N 1677351374 IOUMRXMJRKWYNM-IAZYJMLFSA-N 291.420 3.874 30 20 CHED CCCN(CC(C)C)C(=O)Nc1cc(F)cc(C#N)c1 1672407264 WKORXLZVAQGBST-UHFFFAOYSA-N 277.343 3.597 30 20 CHED CC(C)C[C@@H]1CCCC1=NNc1cccc(C(=O)O)c1 1776038246 ZCGSCEFQFGMJPI-LBPRGKRZSA-N 274.364 3.999 30 20 CHED O=C(O)c1ccccc1NN=C/C=C/c1cccc(F)c1 1776031817 YSPSRBSEGWPGQD-XENLPDTRSA-N 284.290 3.635 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)cn1 1776069022 LSYAQTJISMOBCH-NWDGAFQWSA-N 287.363 3.538 30 20 CHED CC[C@H]1CCCCC1=NNc1ccc(F)c(C(=O)O)c1 1776062462 VNFNXCLUXUHUTQ-JTQLQIEISA-N 278.327 3.892 30 20 CHED C=CCN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 158537268 QHGUTPUUXYEVQS-KRWDZBQOSA-N 295.361 3.692 30 20 CHED COC(=O)c1ccccc1CSc1cccc(C#N)c1 158687890 HHBOMKTWFWDRQG-UHFFFAOYSA-N 283.352 3.637 30 20 CHED C=CCN[C@@H](c1ccc(OC)cc1)c1ccccc1OC 152191519 ZJUADKKABPPWBB-SFHVURJKSA-N 283.371 3.569 30 20 CHED Cc1nc(C)c(C(=O)N[C@@H](CCC#N)c2ccccc2)s1 153213320 HERMKNYRCRRQPG-AWEZNQCLSA-N 299.399 3.535 30 20 CHED CC#CCCN(C)Cc1ccc(C(F)(F)F)cc1 155028625 PJMOGCBHMYEJAM-UHFFFAOYSA-N 255.283 3.551 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 157501739 FYXCDVYJZRWZQN-UHFFFAOYSA-N 292.354 3.797 30 20 CHED C=C(C)CNC(=O)Nc1cccc(SC(F)F)c1 157301869 RRAXKWRLKDEBCS-UHFFFAOYSA-N 272.320 3.699 30 20 CHED Cc1ccc2c(c1)CCCN2Cc1ccc(C#N)cc1 8533383 JIKMNXZVNUNRGY-UHFFFAOYSA-N 262.356 3.820 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(CCC#N)CC(C)C)CC1 843776945 WSNAXSFRYOZKRC-HNNXBMFYSA-N 262.397 3.521 30 20 CHED CN(Cc1ccc(C#N)cc1F)Cc1ccccc1Cl 42316459 JFKHZMZVYOYBDY-UHFFFAOYSA-N 288.753 3.983 30 20 CHED Cc1ccc(CNc2cccc(OCC#N)c2)cc1 37069488 KBPVCTYWMSABKG-UHFFFAOYSA-N 252.317 3.510 30 20 CHED N#Cc1ccc(N2CCC[C@H]2C2CCCC2)c(F)c1 45088953 DMKCWPIEWZLWHA-HNNXBMFYSA-N 258.340 3.856 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(C(C)=O)c1 181042332 MLYBHERFILZHFM-LBPRGKRZSA-N 274.364 3.756 30 20 CHED CC(C)C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 307773320 JPWJSYBYJHVHQJ-AWEZNQCLSA-N 260.356 3.565 30 20 CHED CC(C)(C#N)CCOc1cccc(C=O)c1Br 315575900 OCIGEJDUDUCHJY-UHFFFAOYSA-N 296.164 3.580 30 20 CHED N#Cc1ccc(CN2CCc3ccsc3C2)c(Cl)c1 439450633 KHGQDOAXIAENMB-UHFFFAOYSA-N 288.803 3.831 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1ccsc1 343584271 BPWKKZGQHIZRDN-GFCCVEGCSA-N 256.374 3.513 30 20 CHED CC(C)Oc1ccc(NC(=O)c2cccc(C#N)c2)c(F)c1 52021682 BHBRJMBVDYRXOM-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1sccc1C#N 459854369 GGDOKRUNDZPESF-SSDOTTSWSA-N 276.283 3.537 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(Cl)n2)c(Cl)c1 225783329 SSLUGIWRGXAJDF-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 26302438 LTYXEMVHKWAYLO-HTMJNSLASA-N 298.342 3.913 30 20 CHED CCN(CCCNCC(C)(C)CCC#N)c1ccccc1 174249015 OIEHKLFDXQOUTO-UHFFFAOYSA-N 287.451 3.823 30 20 CHED C=CCOc1ccc(OCCCOCC(F)(F)F)cc1 174232309 VNUKAYPGDORTDG-UHFFFAOYSA-N 290.281 3.599 30 20 CHED CCC1CCC(N(C)CCCSCC#N)CC1 342629400 HFRMHZUVPPAGEO-UHFFFAOYSA-N 254.443 3.534 30 20 CHED C[C@H]1Cc2ccccc2[C@@H]1NCC(C)(C)CCC#N 348213350 ITHHDMWEKRTBLG-XJKSGUPXSA-N 256.393 3.839 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 175688426 VNFQLMSJMZNFMR-LJQANCHMSA-N 299.823 3.513 30 20 CHED CCc1sc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1C 116812217 JGMLQOBJNAQMLM-BDJLRTHQSA-N 290.432 3.821 30 20 CHED CC[C@](C)(C#N)NC(=O)CCCCCc1cccs1 67272191 AFOCJVBPOKKYHI-OAHLLOKOSA-N 278.421 3.659 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc3ccccc3o2)C1 116806426 AGQSCCBGWHZPFM-SJKOYZFVSA-N 282.343 3.635 30 20 CHED CC[C@H](C)N(C(=O)CCc1ccc(C#N)cc1)[C@@H](C)CC 119783853 AFFBWHDCMZTNPN-GJZGRUSLSA-N 286.419 3.916 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(N2CCC(C)=N2)cc1 179797275 FNSRMAYPSKXNBJ-AWEZNQCLSA-N 299.418 3.747 30 20 CHED C=CCn1c(S[C@@H]2CCCCC2=O)nc2ccccc21 66276249 DWRJFOOCUNQHLP-OAHLLOKOSA-N 286.400 3.826 30 20 CHED N#Cc1ccc(NC[C@H]2CCO[C@@H]2c2ccccc2)c(F)c1 301460408 ZYCVFGCNQVDBMM-CRAIPNDOSA-N 296.345 3.887 30 20 CHED CC(C)(C)ON=Cc1sccc1Br 308144998 LHCRWSDKMLMOQI-UHFFFAOYSA-N 262.172 3.660 30 20 CHED CC(C)CCO[C@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 68765812 DTLNDTGZBGSEOC-LLVKDONJSA-N 294.782 3.601 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(F)cc2Cl)C1 116814502 KPWAKTRAPXKXRI-ZUZCIYMTSA-N 294.757 3.681 30 20 CHED C=CCC[C@@H](NCCCn1ccnc1)c1ccccc1 178755389 NAGKQEGJJXUPCX-QGZVFWFLSA-N 269.392 3.570 30 20 CHED Cc1cc(C(=O)Nc2ccc(CC#N)cc2)c(C)n1C1CC1 61058856 LPIPNVPZOHCLGD-UHFFFAOYSA-N 293.370 3.758 30 20 CHED COc1ccc2c(c1)N(CCCC(C)(C)C#N)C[C@H](C)O2 174877235 ZQFXHFUVPZVXAH-ZDUSSCGKSA-N 288.391 3.612 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCCc3cnn(C(C)C)c32)c1 1262363929 IEDUOONPZRLRNN-OAHLLOKOSA-N 295.390 3.529 30 20 CHED C[C@H](NC(=O)C(C)(C)C#N)c1cccc(Cl)c1Cl 117730956 WJYPWLLGFVDCJG-QMMMGPOBSA-N 285.174 3.720 30 20 CHED CSCc1cccc(NC(=O)CC#Cc2ccccc2)c1 1340379698 VXLLFIUYBAQOQZ-UHFFFAOYSA-N 295.407 3.930 30 20 CHED N#Cc1cccc(CNCCc2ccc(Cl)s2)c1 61115314 XDXGSMLSGSSDOC-UHFFFAOYSA-N 276.792 3.605 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(O[C@H](C)CC)cc1 176616025 CJTJILSMASCYQH-CHWSQXEVSA-N 261.365 3.558 30 20 CHED C[C@@H](Nc1ccnc(C#N)c1)c1ccccc1Cl 60537893 FDEXHOFNMGMSAM-SNVBAGLBSA-N 257.724 3.780 30 20 CHED COc1ccc(CCCNc2ccc(F)cc2C#N)cc1 301386194 XAZNEHMGHRROHD-UHFFFAOYSA-N 284.334 3.751 30 20 CHED C=CCOc1ccc(O[C@H](C)c2nc(C3CC3)no2)cc1 174234045 TVEYEVOSUPGMBV-LLVKDONJSA-N 286.331 3.652 30 20 CHED CN(C(=O)CSCC#N)c1ccccc1-c1ccccc1 64815174 CFDIADRXWSLVGZ-UHFFFAOYSA-N 296.395 3.573 30 20 CHED C=C(C)CN(CC)C(=O)c1c(O)cc(Cl)cc1Cl 125715448 GHDCMOGIUZGULK-UHFFFAOYSA-N 288.174 3.737 30 20 CHED C=C(C)[C@@H](N[C@H](C)COCC)c1ccc(F)c(F)c1 186454129 DGSLNGIZXRBFGA-IAQYHMDHSA-N 269.335 3.597 30 20 CHED C#CCCCCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 120345391 JRHFVERSLGYYGQ-KSSFIOAISA-N 269.388 3.620 30 20 CHED CC(=O)c1ccc(N[C@H](CCC#N)c2ccccc2)nc1 181231587 MXFQCCFXMVIWID-MRXNPFEDSA-N 279.343 3.741 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cc(F)ccc2OC(F)F)C1 185750371 HXULBDQXQNWNMG-KOLCDFICSA-N 284.281 3.921 30 20 CHED C=CCN(C)Cc1csc(-c2ccc(C)cc2)n1 121386390 LAKXVVNHGJWRTP-UHFFFAOYSA-N 258.390 3.736 30 20 CHED Cc1cccc(C(=O)/C=C/c2cnc3c(C)cccn23)c1 125274443 YZOAOQQFOFWAHU-CMDGGOBGSA-N 276.339 3.847 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cccc(Oc2ccccc2)c1 127496212 HDTCLXFUVZDBLN-GOSISDBHSA-N 294.354 3.901 30 20 CHED C[C@@H]1C[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)O1 413530477 JZUYRTWVNWSDEK-FOGDFJRCSA-N 298.308 3.802 30 20 CHED Cc1ccsc1CN(C)c1c(C#N)nnc2ccccc12 77486364 DVVBYCOMBVCCLC-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1c1ncc(C#N)cc1F 413275027 USNKFXNVQRYOLI-CJNGLKHVSA-N 295.361 3.865 30 20 CHED N#Cc1ccc(CNc2ccc3ncsc3c2)cc1F 359008728 WZPZYBCPJSIKLN-UHFFFAOYSA-N 283.331 3.919 30 20 CHED Cc1cc(C)c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)s1 601533039 IAGFYLNOJVZFCF-LBPRGKRZSA-N 276.405 3.519 30 20 CHED Cc1nc(C#N)cc(-c2ccc(Cl)cc2Cl)n1 259254328 KWCNUMSETVNZHR-UHFFFAOYSA-N 264.115 3.631 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(C)C)C1 508871828 GOUAPAJLQWNNAT-HUUCEWRRSA-N 290.455 3.850 30 20 CHED O=C(/C=C\c1cccnc1)c1cccc(OC(F)F)c1 210024969 HOYVFQMHSZIVKJ-SREVYHEPSA-N 275.254 3.579 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cn(C)nc1C 414310095 VZNMWORIUSIAPO-WMLDXEAASA-N 283.419 3.567 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)nc2C)CCCC1 410564930 RQZYHHRTABKGEE-UHFFFAOYSA-N 258.365 3.773 30 20 CHED COc1cccc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)c1 213896671 OIPDHCLMHZFLGL-FPLPWBNLSA-N 282.339 3.914 30 20 CHED CSc1ccccc1NCCOc1ccc(C#N)cc1 70823556 WZMQCYHBCVSAEF-UHFFFAOYSA-N 284.384 3.771 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416710397 XKZHXJCGQVORMQ-QGZVFWFLSA-N 297.402 3.591 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)CSc1ccc(C)cc1 186061637 JBQCGHJXIVOQBX-AWEZNQCLSA-N 292.448 3.693 30 20 CHED CC(C)(C#N)CCN(Cc1cccs1)C[C@H]1CCCO1 157444247 FAAHXMNNQJQLLS-CQSZACIVSA-N 292.448 3.669 30 20 CHED CC(C)CN(C(=O)[C@H](C)CC(F)F)c1ccc(C#N)cc1 413258590 CFIJOHCNRZYOBO-GFCCVEGCSA-N 294.345 3.839 30 20 CHED CC(C)[C@H](C)N(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC1 413228738 JRCNPVQXTWFISS-DOPJRALCSA-N 296.414 3.697 30 20 CHED CC(C)[C@](C)(Cc1ccc(Cl)cc1)NCCC#N 411767857 CMZMUVDCORVIAU-HNNXBMFYSA-N 264.800 3.800 30 20 CHED N#Cc1c(Cl)nsc1N1CCC2(CCCC2)CC1 78022284 NHIXNLNWNPFOKD-UHFFFAOYSA-N 281.812 3.829 30 20 CHED N#CCSCCCN[C@@H]1CCC[C@H]1c1ccccc1 133466433 UZNJNCBAUBJDML-JKSUJKDBSA-N 274.433 3.559 30 20 CHED N#CCCN(Cc1cccc2ccoc12)CC1CC1 449023051 MVMKCIJMLADDGX-UHFFFAOYSA-N 254.333 3.558 30 20 CHED N#Cc1ccc(NC(=O)NC[C@@H]2CC=CCC2)cc1Cl 49300073 VVZUFJYLWNOOSK-LLVKDONJSA-N 289.766 3.689 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)Cc1ccccc1 504028080 WNHMYNZLZBCXRE-INIZCTEOSA-N 297.398 3.716 30 20 CHED C=CCSCC(=O)Nc1ccc(SC(F)F)cc1 44253100 FOEPMNNQUTYKJH-UHFFFAOYSA-N 289.372 3.859 30 20 CHED CC(C)(C)c1nc(C(=O)Nc2ccc(C#N)cc2)cs1 338630848 CRXQWJNLYTZXKY-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 192115474 RREDBAAEQKNRCO-ZDUSSCGKSA-N 299.370 3.731 30 20 CHED CO[C@@H]1Cc2ccccc2N([C@H](C)c2cccc(C#N)c2)C1 502507223 IHIDDCDWPMRZKQ-RDTXWAMCSA-N 292.382 3.697 30 20 CHED CC[C@]1(C)CCCN(Cc2cccc(C#N)c2F)C1 340865559 FFMGVHIYJIXBIO-MRXNPFEDSA-N 260.356 3.709 30 20 CHED Cc1cc(C)c(CCNc2ncccc2C#N)c(C)c1 48565783 MHIIEMWABQFCGN-UHFFFAOYSA-N 265.360 3.533 30 20 CHED CC(C)CCC1CCN(C[C@H](C#N)CCC#N)CC1 132610994 VABTXQWJCXUNJV-INIZCTEOSA-N 261.413 3.578 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C)c1ccccn1 191173877 REAXWTALJBQEPA-GFCCVEGCSA-N 267.332 3.525 30 20 CHED Cc1cc(F)ccc1NC(=O)N(C)Cc1ccc(C#N)cc1 43421034 VTWUGGKENPLPAY-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CC(C)n1ccc(CSCc2cccc(F)c2C#N)n1 427840790 XELAGLNPTYOOMZ-UHFFFAOYSA-N 289.379 3.908 30 20 CHED C=C(C)COCCNC(=O)C[C@@H](CC)c1ccc(C)cc1 136194866 MQYHWCYOCRQBBY-MRXNPFEDSA-N 289.419 3.588 30 20 CHED Cc1nc(C)c(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)o1 329885036 TZENXANRWYGUEJ-MELADBBJSA-N 276.380 3.955 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@@H](OC)C(CC)CC 424737854 ORCGLDAFLSATPV-CQSZACIVSA-N 269.429 3.546 30 20 CHED C=CCCN1C[C@@H](c2ccccc2Cl)OC[C@H]1C 133064188 KNDWASDWPTWQDW-DOMZBBRYSA-N 265.784 3.678 30 20 CHED N#Cc1ccc(F)cc1CSc1ncc2ccccn12 130211455 XNXUNRWLTWSWAT-UHFFFAOYSA-N 283.331 3.637 30 20 CHED C=CCC(C)(C)C(=O)NCCCN(CC)c1ccccc1 429834420 UKCVRNIRQXWOBF-UHFFFAOYSA-N 288.435 3.622 30 20 CHED C#CCCCCNC(=O)Nc1ccc(Cl)cc1C 134148238 JELTXMGUFTVYCF-UHFFFAOYSA-N 264.756 3.573 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1CCC2(CCCCC2)O1 229302860 BQSMMNUQWKNOKI-HNNXBMFYSA-N 288.366 3.991 30 20 CHED CCC(=O)c1cccc(NCc2cc(C#N)ccc2F)c1 135775736 GOMRUBFWUQUOAL-UHFFFAOYSA-N 282.318 3.902 30 20 CHED C=CCOc1cccc(NC(=O)NC[C@H]2CC=CCC2)c1 519052035 FVBSWOPVCOPOBD-AWEZNQCLSA-N 286.375 3.729 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccccc1OCC 429906917 XYXXBVSIQJTZJD-UHFFFAOYSA-N 275.392 3.646 30 20 CHED N=C(O)Nc1cccc(C/N=C(/O)[C@H]2CC23CCCC3)c1 329988338 HALXYLGBZWDHRT-CYBMUJFWSA-N 287.363 3.628 30 20 CHED Cc1ccc(C[C@@H]2CCCN2CCC(C)(C)C#N)cc1 131598077 JBELHOMMRDMODV-KRWDZBQOSA-N 270.420 3.942 30 20 CHED N#Cc1cccc(CNCc2cnc(-c3ccco3)s2)c1 193000462 XRAMXJVKKXHYLM-UHFFFAOYSA-N 295.367 3.565 30 20 CHED CC(C)CCC1CCN(C[C@@H](C#N)CCC#N)CC1 132611174 VABTXQWJCXUNJV-MRXNPFEDSA-N 261.413 3.578 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@@H](CC(F)(F)F)C1 420854643 ZITVBZLSWZASCO-NSHDSACASA-N 292.345 3.573 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cccc(CC#N)c1 510568463 AMPQZCGIIPFXLA-GDBMZVCRSA-N 284.403 3.699 30 20 CHED CCC(CC)CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425479302 OFXHQDIXWCKFMS-CYBMUJFWSA-N 287.407 3.697 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CC[C@@H](C)C1 429615672 DFNFTKUIWHYGDX-RISCZKNCSA-N 271.364 3.519 30 20 CHED C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(C#N)cc1 42099849 QPCOMCZTCMWLFS-NSHDSACASA-N 292.298 3.511 30 20 CHED Cc1cc(N2CCC[C@@H](c3ccccc3)C2)c(C#N)cn1 425266771 IWXTXEKNRALKGM-MRXNPFEDSA-N 277.371 3.646 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(Cl)c1C 44764721 SFCYVRVDXXERHW-UHFFFAOYSA-N 264.756 3.917 30 20 CHED C#CCCCc1nc(-c2ccc(N3CCCCC3)cc2)no1 191822850 UPIVMFDYSQOIJA-UHFFFAOYSA-N 295.386 3.683 30 20 CHED C=CCC[C@H](N[C@H](C)CC(=O)OC(C)(C)C)c1ccco1 513707398 CDQCHAYKBDFPMA-KGLIPLIRSA-N 293.407 3.997 30 20 CHED Cc1cccc(CCC(=O)N(CCC#N)CCC(C)C)c1 517770039 LNROWMQVPAEUCL-UHFFFAOYSA-N 286.419 3.716 30 20 CHED C=CCN(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 429271978 IQHHADFXPRMKBH-UHFFFAOYSA-N 290.366 3.736 30 20 CHED Cc1c(Cl)cc(NC(=O)N2CC(C)(C#N)C2)cc1Cl 332422739 GLHYQTCJPXIDNO-UHFFFAOYSA-N 298.173 3.679 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 426438139 BKETYBPWFDAGRF-UHFFFAOYSA-N 279.321 3.560 30 20 CHED CC(C)C[C@H](C)n1nccc1N/C(O)=N/[C@H](C)C(C)C 330878610 LLMABHXRFLENRQ-QWHCGFSZSA-N 280.416 3.861 30 20 CHED CC(C)(C#N)CCN1CCC[C@H](CC(F)(F)F)C1 420946465 LVTSOGAXVWMXCO-LLVKDONJSA-N 262.319 3.591 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1c(F)cccc1F 424854191 QTXXSDOEMISDKZ-UHFFFAOYSA-N 267.319 3.526 30 20 CHED Cc1c(F)cc(Cl)c2c1CCCN2C(=O)CCCC#N 425634609 URJCCUQZGARNLI-UHFFFAOYSA-N 294.757 3.761 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1cccc(O)c1 149058601 WHJRBZSVLKGAMH-ALCCZGGFSA-N 260.239 3.567 30 20 CHED CCc1ccc(C2=CCN(c3cnccc3C#N)CC2)cc1 92948710 NVBCWGMSJUEYLW-UHFFFAOYSA-N 289.382 3.809 30 20 CHED C=CCCC(=O)Nc1onc(C2CCCCC2)c1C 331099128 CAEXVRZENCYRIW-UHFFFAOYSA-N 262.353 3.935 30 20 CHED C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)CC#N)C1 336413188 KFCUUXMDYLWQGB-GXFFZTMASA-N 296.292 3.529 30 20 CHED CC[C@@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1OC(F)F 437633761 YOKDYSOCTVESCH-BXUZGUMPSA-N 294.345 3.780 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CCC1CCCCC1 330763930 RAGBWSNZJDGXOA-INIZCTEOSA-N 264.413 3.791 30 20 CHED COc1cc(OCc2cc(F)ccc2C)ccc1C#N 435803868 KQBIZSBFRKWOIN-UHFFFAOYSA-N 271.291 3.593 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1cc(F)ccc1F)CC2 334503539 RXPNCVYGHLTRFX-QGZVFWFLSA-N 284.309 3.614 30 20 CHED CCc1cnc(C/N=C(/O)N[C@@H]2CCCC[C@H]2CC)s1 330936004 QDLZTQIKJJMUQP-DGCLKSJQSA-N 295.452 3.678 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)C1C(C)(C)C1(C)C 436297844 WXQWPSOYFFHYGZ-RDBSUJKOSA-N 265.441 3.628 30 20 CHED N#CC1(CSCc2cc(Cl)c3c(c2)OCCO3)CC1 344465699 PGXQYIACIPZWBF-UHFFFAOYSA-N 295.791 3.648 30 20 CHED Cc1cccc(NCCC(=O)Nc2cccc(C#N)c2)c1C 244507011 ZMBKZISVTLUMPH-UHFFFAOYSA-N 293.370 3.616 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC#N)C1 601620436 JBTUHCUSGSEHCN-OFQRWUPVSA-N 284.403 3.697 30 20 CHED C=CCCC(=O)N(C)c1nc2cccc(Cl)c2s1 436328111 UQZGMUSBGJAJCD-UHFFFAOYSA-N 280.780 3.879 30 20 CHED CCS[C@@H]1CCCCN(c2nccc(C#N)c2Cl)C1 342175338 ZERJQCGCYHWQAC-GFCCVEGCSA-N 295.839 3.719 30 20 CHED CCCc1occc1C(=O)Nc1ccc(COC)c(C#N)c1 529813989 HFEQQPSAKOVKDC-UHFFFAOYSA-N 298.342 3.502 30 20 CHED Cc1nccn1CCCN(CC(C)C)c1ccc(C#N)cc1 342864896 RAOHBWPPLAABCP-UHFFFAOYSA-N 296.418 3.616 30 20 CHED CCc1ccc(CNc2cccc(OCC#N)c2)s1 51717931 OHHJUCQGGFPDTL-UHFFFAOYSA-N 272.373 3.825 30 20 CHED C=CC[C@H](C(=O)NCc1oc(CC)nc1C)c1ccccc1 347762369 WUKHNFGICKNMJY-HNNXBMFYSA-N 298.386 3.522 30 20 CHED C=C(CNCc1c[nH]nc1-c1ccccc1)c1ccccc1 340436078 AXLXDZOAMMMFIK-UHFFFAOYSA-N 289.382 3.880 30 20 CHED Cc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1C 255296521 CANMWZMLHYVDKU-WAYWQWQTSA-N 255.292 3.734 30 20 CHED N#CCCCCN1CCC[C@@]2(CCc3ccccc3O2)C1 528732602 BXVFZKOTRJGMTK-GOSISDBHSA-N 284.403 3.540 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1cc(C)sc1C 448674704 HSLXVPQSFMLWJX-JTQLQIEISA-N 251.395 3.754 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)Cc1coc2ccccc12 449302380 VIMXJZDUBJBGQO-KHYOSLBOSA-N 299.414 3.935 30 20 CHED Cc1c(C#N)c(S[C@H](C)c2ccncc2)nc2c1CCC2 609782432 ZYJPLKRSSOJLTP-GFCCVEGCSA-N 295.411 3.999 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC(C)(C)CCC1(C)C 600229756 WSJMVBCZKGITQW-UHFFFAOYSA-N 274.364 3.501 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H](CCc2ccccc2)C(F)(F)F)C1 442821700 BYQVFPXMVDHGCP-KFWWJZLASA-N 296.336 3.832 30 20 CHED Cc1cc(C)cc(NC(=O)Nc2ccc(F)cc2C#N)c1 531436999 WONIRLMVACNQLS-UHFFFAOYSA-N 283.306 3.958 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(F)ccc1Cl 351622397 CSHSQTPDYVLWPE-NSHDSACASA-N 267.731 3.660 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 602728312 ZNXQQGNAIYKBAN-WQVCFCJDSA-N 292.810 3.699 30 20 CHED N#Cc1cnc(N2CC[C@H]3CCC[C@@H]32)c2sccc12 601148973 CMXQJRJCPZBIRA-MFKMUULPSA-N 269.373 3.547 30 20 CHED C=C(C)CCN[C@H](CCc1ccccc1)C(F)F 449477850 QGMRWKVSTPLPTB-CQSZACIVSA-N 253.336 3.809 30 20 CHED CC(C)N(CCC#N)Cc1cccc2c1OC(C)(C)C2 536645321 NTFVNUZFBCFKRM-UHFFFAOYSA-N 272.392 3.524 30 20 CHED COc1cccc(N[C@H]2CCc3ccc(C#N)cc32)c1 353331375 QMKYNXPKWJIIED-KRWDZBQOSA-N 264.328 3.666 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 449699421 QNAIGCWQUPKSSO-ZDEQEGDKSA-N 299.867 3.810 30 20 CHED N#Cc1ccc(/C=C\c2cc(O)cc(C(F)(F)F)c2)nc1 357128089 KRRDEDYDZQOVSF-IWQZZHSRSA-N 290.244 3.848 30 20 CHED C/C=C\c1ccc(NC(=O)N[C@H](CC)CC#N)cc1 353268562 YEBUXWCQPLBOIR-HSBHDXMMSA-N 257.337 3.533 30 20 CHED C[C@H]1c2cc(F)cc(F)c2CCN1Cc1cccc(C#N)c1 531580249 YRMGTPAENSDEFR-LBPRGKRZSA-N 298.336 3.956 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)c1cc(C#N)ccc1Cl 352973344 AOLKDNLJYRGUKM-OAHLLOKOSA-N 290.794 3.862 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CCC1 263199486 UVHGHAXGQYSOQW-UHFFFAOYSA-N 293.750 3.723 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C)c1nnc2ccccn12 449067451 LMOIIWMJIGCZEA-KGLIPLIRSA-N 272.396 3.515 30 20 CHED CCCC[C@H](CC)Cn1cc(C#N)c(=O)c2nc(C)ccc21 443547645 HMPQLSXKIBLJMY-AWEZNQCLSA-N 297.402 3.793 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(OCC3CC3)cc2)C1 616731785 NHGBFEKLBGWPNM-GOSISDBHSA-N 284.403 3.601 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cc(C)nc(N2CCCC2)c1 353662444 RJIUDRKJGDGYIN-GOEBONIOSA-N 287.451 3.681 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(O)c1 619755866 WSKYGGQOVOSHNF-NSHDSACASA-N 286.762 3.768 30 20 CHED CC(C)(CC#N)CNCc1cc(F)cc(Cl)c1 459735459 SWLIDXOFQGZEKO-UHFFFAOYSA-N 254.736 3.509 30 20 CHED CC(C)(C#N)CCCCN1CC[C@]2(C1)OCc1ccccc12 365467676 VJOQOHIKROZDNC-LJQANCHMSA-N 298.430 3.838 30 20 CHED C=CCC1(c2nc([C@@H]3CCCO3)no2)CCCCC1 453038133 AIZJBVYNEFLSAM-LBPRGKRZSA-N 262.353 3.699 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3nc(C)ccc3o2)C1 617783624 CWTCORDCZWXQBZ-ZDUSSCGKSA-N 284.359 3.565 30 20 CHED C/C=C/c1ccc(NC(=O)NCC(C)(C)CC#N)cc1 459574748 SPMKZMGSOIJGCY-SNAWJCMRSA-N 271.364 3.781 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)NCC(C)(C)C#N 458656738 QQFQNGALRCMJHD-CQSZACIVSA-N 281.444 3.927 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(C3CC3)cc2)C1 612319725 KQKKFGFGXLSTPS-KRWDZBQOSA-N 283.375 3.722 30 20 CHED N#Cc1ccncc1N[C@H]1CC[C@@H](c2ccccc2F)C1 360274950 OCWSMSQIHQQUQD-OCCSQVGLSA-N 281.334 3.841 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1 610522682 IAESITQPQMNCKB-TWMKSMIVSA-N 296.414 3.711 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(C(F)F)c1 274331984 MJMWJOLRRGWBRX-HNNXBMFYSA-N 280.318 3.682 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)SC1CCC1 450990673 ILOPWFUPAXJVCV-LBPRGKRZSA-N 295.473 3.937 30 20 CHED CC(C)(C#N)CC(=O)NCc1ccc(C(C)(C)C)cc1 278547259 NUWSOPRXBVQPIT-UHFFFAOYSA-N 272.392 3.540 30 20 CHED C[C@H](NC(=O)CCCC#N)c1ccc(-c2ccncc2)cc1 360309924 JRTWMZJYMALGSL-AWEZNQCLSA-N 293.370 3.620 30 20 CHED CC(C)Oc1ccccc1NC(=O)NCC(C)(C)CC#N 459235564 PWWYOCBZHCBIMV-UHFFFAOYSA-N 289.379 3.535 30 20 CHED CC[C@@H]1CC[C@H](C)N1c1ccc2cc(C#N)ccc2n1 540078301 RLJZYNSGVBBCJM-SWLSCSKDSA-N 265.360 3.874 30 20 CHED N#Cc1ccc(CN2CCSC[C@@H]2C2CC2)c(Cl)c1 451654280 OJRGGMGGGNVXNG-OAHLLOKOSA-N 292.835 3.539 30 20 CHED C=C(C)CCNC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 454890615 KANZIEPDNZQODV-CTYIDZIISA-N 292.810 3.851 30 20 CHED C=CCCN(C)C(=O)C[C@@H](CC)c1ccc(OC)cc1 276017004 AGRYIWHWCILURM-CQSZACIVSA-N 275.392 3.613 30 20 CHED C=CCCCC(=O)N1CC2(CCC2)[C@H]1c1ccco1 456567863 OVXPNRZPELNISJ-OAHLLOKOSA-N 259.349 3.690 30 20 CHED CCc1noc(CC)c1CN[C@H](CC)c1ccc(C#N)cc1 278877596 XMOQKOUNBBKFSA-MRXNPFEDSA-N 297.402 3.912 30 20 CHED C=C(C)CNC(=O)CCCc1cccc(C(F)(F)F)c1 275026136 NETUXRWUCIWYLB-UHFFFAOYSA-N 285.309 3.720 30 20 CHED C=CCCC[C@@H](C)N1CCC2(CCOCC2)[C@@H]1C 543574823 QYLFOBJWTOXMCV-CABCVRRESA-N 251.414 3.622 30 20 CHED CC#CCCCC(=O)N1CC2(CCC2)c2ccccc21 360494161 CIYQJOIQUCGWKW-UHFFFAOYSA-N 267.372 3.649 30 20 CHED C=C(CC)CN[C@H](C)c1nc(-c2ccc(CC)cc2)no1 541691598 UCYGQDSGYBAZLL-CYBMUJFWSA-N 285.391 3.916 30 20 CHED COc1cc(C#N)ccc1NC(=O)N[C@@H](C)CCC(C)C 545294350 FWOZZYUQRSQBER-LBPRGKRZSA-N 289.379 3.513 30 20 CHED CCOCCC1(CN[C@@H](C)c2cccc(C#N)c2)CCC1 271864818 LGEDCFROGUXGGP-HNNXBMFYSA-N 286.419 3.806 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1c(F)cccc1F 274339753 ODYHDXOWAVSIIS-QLJPJBMISA-N 294.345 3.513 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](CCc1ccccc1)C(F)F 628766906 ZHBOPPDIXVDHCZ-CQSZACIVSA-N 295.373 3.971 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)cc1OC)C(C)(C)C 546708233 YBHJCMSJHIOHBA-CQSZACIVSA-N 289.379 3.513 30 20 CHED C=CCCN(C)C(=O)Nc1cc(OC)ccc1OC(C)C 276191131 XBWIEANEBZOJHF-UHFFFAOYSA-N 292.379 3.522 30 20 CHED Cc1ccnc(NCCOc2ccccc2C(C)C)c1C#N 544068946 ICOJGUWGRGEKKU-UHFFFAOYSA-N 295.386 3.876 30 20 CHED CCN(C(=O)c1c(C)coc1C)[C@@H](C)c1ccc(C#N)cc1 284022587 RPEWXKHKKDAAJU-ZDUSSCGKSA-N 296.370 3.991 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCC[C@H](C)c1ccccc1 280779331 PPSLSHYCHRLSOZ-JQHSSLGASA-N 273.420 3.751 30 20 CHED CCc1ccc(CCC(=O)N(C)c2ccc(C#N)cc2)cc1 461545596 OQVHMHNLQMLJOI-UHFFFAOYSA-N 292.382 3.716 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(F)cc1F 622874469 USZANKPIWCKBOH-LLVKDONJSA-N 297.370 3.646 30 20 CHED C=CCN(CC=C)C(=O)NCC1(CC(C)C)CCC1 465377019 BWEZLPLXIPASOU-UHFFFAOYSA-N 264.413 3.586 30 20 CHED CCc1nc2ccccc2c(C(=O)N[C@@H](CC)CC#N)c1C 283476812 PRIOFPRBCUXOHN-ZDUSSCGKSA-N 295.386 3.528 30 20 CHED C=C(C)CCN[C@@H](c1cncc(Br)c1)C1CC1 284818456 PRTKRAUQPAEPIO-CQSZACIVSA-N 295.224 3.851 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(CCC#N)CC(CC)CC 462195301 ZUPGBNFHGJVGCX-HUUCEWRRSA-N 264.413 3.601 30 20 CHED CC(C)c1occc1C(=O)N[C@H](C)c1ccc(C#N)cc1 280008323 NKYGWAGIJHIWDG-GFCCVEGCSA-N 282.343 3.766 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 552136564 CGBTWJOZGQSEGV-KSSFIOAISA-N 286.419 3.797 30 20 CHED C=CC[C@@H](C(=O)NCCCSCC)c1ccccc1 282750207 UOSQKMOZMNTMNB-OAHLLOKOSA-N 277.433 3.606 30 20 CHED Cc1ccc(C(C)(C)CNC(=O)C2(C#N)CC(C)C2)c(C)c1 553300141 RAYPNRCNZQCAPM-UHFFFAOYSA-N 298.430 3.637 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 551363844 DCPNXXFRTHIUOV-ZIAGYGMSSA-N 259.393 3.897 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCc1cccc(C(C)C)c1 474181945 HAJNJENZKTZGOZ-GOSISDBHSA-N 289.419 3.655 30 20 CHED FC(F)(F)c1ccc(C#CCN[C@@H]2CCC[C@H]3C[C@H]32)cc1 554725169 MHLAIAOGLLRLQX-NUEKZKHPSA-N 293.332 3.835 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@]1(C)C(C)C 476420214 CHCOVBZACYQLIK-FUHWJXTLSA-N 271.404 3.883 30 20 CHED Cc1csc(NC(=O)c2ccc(C3CC3)nc2C)c1C#N 297815442 PRTRRHCGQQOYNL-UHFFFAOYSA-N 297.383 3.761 30 20 CHED C=C(CNC1CCC(c2nc(C)no2)CC1)c1ccccc1 292242767 RTGCVDIVGMCHTN-UHFFFAOYSA-N 297.402 3.707 30 20 CHED CC(C)CON=C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 807978849 FKQRYLASVVJZDW-KGLIPLIRSA-N 298.427 3.680 30 20 CHED C[C@@H](OC(=O)CCCC#N)c1ccc(OC(F)F)cc1 291259009 OALHWJKCPXLTRS-SNVBAGLBSA-N 283.274 3.586 30 20 CHED C=CCCCC(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl 479785031 JCUZBCSRPYGKHW-WBMJQRKESA-N 295.810 3.889 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cnn(C2CCOCC2)c1C 295159501 SADNLYOSQZKISK-QWHCGFSZSA-N 277.412 3.556 30 20 CHED CCCN(C(=O)CCCC#N)[C@@H](C)c1ccccc1OC 292439129 VRWXUWDZFJBBPQ-AWEZNQCLSA-N 288.391 3.689 30 20 CHED C=CCCCCNC(=O)N(CC)CC(CC)CC 472864547 KBIOJIOQXOHYIO-UHFFFAOYSA-N 254.418 3.810 30 20 CHED CC[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1C 807989827 OLSYADOVZFXEIW-NSHDSACASA-N 261.325 3.881 30 20 CHED CC(C)Oc1ccc(OC(=O)[C@@]2(C#N)CC23CCCC3)cc1 295836505 NBSSLVLFUZLNAD-SFHVURJKSA-N 299.370 3.853 30 20 CHED COc1cc(OCCCCC(C)(C)C#N)ccc1[N+](=O)[O-] 475882746 SRDGDUGUEJCCQT-UHFFFAOYSA-N 292.335 3.702 30 20 CHED N#CCCC1CCN(Cc2scnc2C2CC2)CC1 566248123 OBVGPOAWWWGNQZ-UHFFFAOYSA-N 275.421 3.536 30 20 CHED CCCc1cnc(NC(=O)[C@]2(C#N)CC23CCCC3)s1 294844933 BUCUSKHBYSWFKD-OAHLLOKOSA-N 289.404 3.508 30 20 CHED C#CCC1(c2nc(CCCOC(C)C)no2)CCCCC1 809420040 KHBGOBGFEKRDRV-UHFFFAOYSA-N 290.407 3.652 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)c1cc(Cl)ccc1C 294262648 QSKSOCAHFVLGEO-GFCCVEGCSA-N 281.783 3.592 30 20 CHED C[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)CC12CCCCC2 563498357 SVAPAUPAVOWYQH-BZUAXINKSA-N 260.425 3.971 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2cc(OCC)ccc2C1 483694301 COWLOEMAPDJEPH-UHFFFAOYSA-N 287.403 3.572 30 20 CHED Cc1cc(C#N)cnc1C(=O)O[C@H](C)C1CCCCCC1 816019007 WWUWUGPPFVCNOA-CYBMUJFWSA-N 286.375 3.777 30 20 CHED CCc1ccccc1NN=Cc1cccnc1Cl 814801860 NZGDRPNKRORPNB-UHFFFAOYSA-N 259.740 3.743 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCCO[C@@H]1CC(C)C 480737727 VZRFXPVIPYFUGS-HRCADAONSA-N 253.430 3.915 30 20 CHED C=CCCCCNC(=O)c1cnn(C(CC)CC)c1CC 480434752 HXZGYCKEXOIDKA-UHFFFAOYSA-N 291.439 3.893 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cccc(C2CC2)c1 814887053 GZTUOQCDTMCPEZ-MRXNPFEDSA-N 259.349 3.831 30 20 CHED C#CCCCCNC(=O)Nc1c2c(cc3c1CCC3)CCC2 810321639 OFNYBRFSAIDBBR-UHFFFAOYSA-N 296.414 3.589 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1cccc2cc[nH]c12 814935170 INNWRMNOWMKZSX-AWEZNQCLSA-N 293.370 3.559 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ccccc2F)o1 812459587 BUFUVTFEPJHYEM-CMPLNLGQSA-N 258.296 3.988 30 20 CHED C[C@@H](NN=C(Cc1ccccc1)C1CC1)c1ccncc1 819815609 SGVSGJULLDIFOC-CQSZACIVSA-N 279.387 3.741 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Cl)ccc1OCCC 487012435 BEXYXQSHEFSCTA-LLVKDONJSA-N 281.783 3.823 30 20 CHED C=C[C@H](C)N[C@@H](c1cccc(OC(C)C)c1)C(F)F 655722779 IHZIVKJCZWABOB-FZMZJTMJSA-N 269.335 3.944 30 20 CHED Cl/C=C/CON=C1CCN(C2CCCCC2)CC1 811670652 YDRCMCRPAUTOJT-RUDMXATFSA-N 270.804 3.540 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OCC)c(F)c1 488345103 INYAFDWCAABKSY-CYBMUJFWSA-N 292.354 3.797 30 20 CHED N#CCc1ccc(CNc2c(Cl)ccc3c2CCO3)cc1 480142048 ACQRBWHNFHQPET-UHFFFAOYSA-N 298.773 3.953 30 20 CHED C=CCCCCCCCNC(=O)C1(CC)CCOCC1 811590072 OFYPSNRFGRXGOU-UHFFFAOYSA-N 281.440 3.836 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2ccc3[nH]ccc3c2)c1 811646093 KLAALINDTFHIRC-UHFFFAOYSA-N 295.733 3.534 30 20 CHED N#Cc1c(NC2CCCCCCC2)nc2ccccn12 728152285 BVTDOAXOZUKODT-UHFFFAOYSA-N 268.364 3.731 30 20 CHED CCc1c(C)sc(NC(=O)/C=C\c2cccnc2)c1C#N 727790801 SOMVTIULIVWUEN-SREVYHEPSA-N 297.383 3.538 30 20 CHED CC[C@@H](CC(=O)OCc1ccccc1C#N)C(C)C 729764529 YJRVBLDDTLUYJM-ZDUSSCGKSA-N 259.349 3.674 30 20 CHED C=C(C)CNC(=O)N[C@H]1CCC(C)(C)c2ccccc21 488591985 RCESDJDIOZTKOE-HNNXBMFYSA-N 272.392 3.674 30 20 CHED Cc1cccc2c1C/C(=C/c1c[nH]nc1C(C)(C)C)C2=O 729151019 NUPVGHCKEDMKGA-WQLSENKSSA-N 280.371 3.838 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc([N+](=O)[O-])cc1F 821009300 ZCKQAFYDDGIHHM-TWGQIWQCSA-N 285.274 3.938 30 20 CHED C=CCCCC(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 578140615 OEUYEZCHHBAEEO-MRXNPFEDSA-N 270.376 3.628 30 20 CHED Nc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cn1 821027301 FVQFPLHWWTWVDS-KTAJNNJTSA-N 293.153 3.867 30 20 CHED C[C@H](C#N)CN(C)Cc1cc2oc3ccccc3c2cc1O 726962166 RZEAZJZQDXTEJZ-GFCCVEGCSA-N 294.354 3.883 30 20 CHED N#CCC[C@H](C#N)CN[C@H]1CCCC[C@@H]1Cc1ccccc1 577215605 BVELDHOKVLHIOV-QRVBRYPASA-N 295.430 3.821 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(F)cc2C)no1 573156363 AMJUZKNMSMDZOR-UHFFFAOYSA-N 274.339 3.962 30 20 CHED C=CCC1(NC(=O)NCC(C)(C)C(F)(F)F)CCCC1 664836522 OGANQHUBBQEQJH-UHFFFAOYSA-N 292.345 3.763 30 20 CHED Cc1cc(C=NNC2CCCC2)c(C)n1Cc1ccco1 727652804 ZQUKXQREJZXWEL-UHFFFAOYSA-N 285.391 3.612 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(OC)c1OC(C)C 666259207 CBYCDXANBILLDC-UHFFFAOYSA-N 291.391 3.521 30 20 CHED C(=NNCCCOc1ccccc1)c1cc2ccccc2o1 729147428 AUDMNHAFEJAZKR-UHFFFAOYSA-N 294.354 3.825 30 20 CHED C=C(C)CNC(=O)CCc1ccc(C(C)(C)C)cc1 490059789 LQVFQMRTGCLNJL-UHFFFAOYSA-N 259.393 3.609 30 20 CHED COC1(C/N=C\c2cc(Cl)ccc2O)CCCCC1 588506967 OVJICILULGAYOZ-YVLHZVERSA-N 281.783 3.814 30 20 CHED CN(CC(C)(C)C#N)C(=O)C1(c2ccccc2)CCCC1 497451465 KZHLMFVJQGGZSO-UHFFFAOYSA-N 284.403 3.507 30 20 CHED CC1(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)CC1 901380366 WMRNYAXURDSFBE-UHFFFAOYSA-N 274.147 3.511 30 20 CHED CC(C)CC(C)(C)C(=O)N(O)Cc1ccc(F)cc1 901372489 FBUMNSXRBOKZRX-UHFFFAOYSA-N 267.344 3.616 30 20 CHED COCOc1ccc(C#N)cc1-c1cc(C)sc1C 904881465 MBUNAIQAPGXFPQ-UHFFFAOYSA-N 273.357 3.886 30 20 CHED CC[C@@H](N[C@@H](CCOC)c1ccco1)c1cccc(C#N)c1 902944349 GBYJQMSZBZRUAN-SJORKVTESA-N 298.386 3.970 30 20 CHED C[C@@H]1CCN(C(=O)C#Cc2cccs2)[C@H](c2ccco2)C1 826700892 PICIEOOZYOMOCU-HIFRSBDPSA-N 299.395 3.692 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C 492887388 PEQRGZDQCPHGHU-VYDXJSESSA-N 291.439 3.628 30 20 CHED C=CC(C)(C)Cc1nc(CCCCSC)no1 903776219 OGNZFJCSNGQEQW-UHFFFAOYSA-N 254.399 3.510 30 20 CHED C=CCC[C@@H](NC(=O)/C=C(/C)Cl)c1ccccc1 901150452 SEFPXIGFEKAGOD-XMXAVACDSA-N 263.768 3.953 30 20 CHED N#Cc1ccc(NC(=O)/C=C\C2CCCC2)c(Cl)c1 493400241 ZDBCLFUQIFMQGU-VURMDHGXSA-N 274.751 3.897 30 20 CHED N#CCCCCCC(=O)Nc1nc2ccsc2s1 588372396 QSTUIIYAERDCFJ-UHFFFAOYSA-N 279.390 3.770 30 20 CHED N#CCCCCCC(=O)Nc1ccc(F)c(F)c1F 588813907 BQSKBJKMEHKGFU-UHFFFAOYSA-N 270.254 3.516 30 20 CHED C[C@H](NC(=O)CCCCCC#N)[C@@H](C)c1ccccc1 588160348 HHHPVBAMLXWGKQ-CABCVRRESA-N 272.392 3.769 30 20 CHED CC(C)CN(CCC#N)C(=O)C=C1CCC(C)CC1 734125475 HZQJBWSCWAIAEH-UHFFFAOYSA-N 262.397 3.521 30 20 CHED CN(Cc1cc(C#N)ccc1Br)CC(C)(C)C 492460760 JLMULMUJCTYQGX-UHFFFAOYSA-N 295.224 3.799 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc3[nH]ccc3c2)no1 903639511 JBDCPYJOJHXHLF-ZFWWWQNUSA-N 295.342 3.667 30 20 CHED C[C@H](NC(=O)NC[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 734527112 XOEYKCOELKMOJF-STQMWFEESA-N 287.407 3.601 30 20 CHED Cc1cc(OC(F)F)c(C(=O)OCCCCC#N)s1 734059464 XODMULVXBRXHKB-UHFFFAOYSA-N 289.303 3.509 30 20 CHED C=CC[C@@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 835324073 PSLMTZLYBCHYOG-QBPKDAKJSA-N 286.371 3.805 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C(/C)Cl 907874449 QCAMWVAJKPHEHA-LCYFTJDESA-N 263.768 3.734 30 20 CHED N#CC1(CN[C@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 580691335 BCLYUHOVSQPYHH-GJZGRUSLSA-N 274.795 3.869 30 20 CHED C#CCCOc1ccc(CNCCC(C)(C)C)cc1 733324380 UQIBJMFYVBPZSJ-UHFFFAOYSA-N 259.393 3.615 30 20 CHED CC[C@H](NCCC(F)(F)F)c1cccc(C#N)c1 902835467 HIRSXWIBQRBBKR-LBPRGKRZSA-N 256.271 3.551 30 20 CHED CC[C@H](c1ccccc1OC)N(C)C(=O)C#CC(C)(C)C 837655112 VAPWEYLNVBZXNI-OAHLLOKOSA-N 287.403 3.654 30 20 CHED CC(=O)CCCCSc1cccc(F)c1C#N 583704713 OJEHCEOIRBPYFR-UHFFFAOYSA-N 251.326 3.549 30 20 CHED CC[C@H](NCc1ccccc1N(C)C)c1cccc(C#N)c1 902870805 GYUKSMHNVUVOHX-SFHVURJKSA-N 293.414 3.865 30 20 CHED C=CCC[C@H](CC)NC[C@@](CC)(C(=O)O)c1ccccc1 901896230 CRCWVGDWHZNJNQ-FUHWJXTLSA-N 289.419 3.753 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 735065142 AVFQXRXWCNNDCX-GFCCVEGCSA-N 270.376 3.986 30 20 CHED Cc1ccc(F)c(C=NNc2oc(C(C)C)nc2C#N)c1 734981015 XEXRUQXWLKSPRX-UHFFFAOYSA-N 286.310 3.563 30 20 CHED CCC[C@@H](OC)c1noc(-c2ccc(C#N)c(Cl)c2)n1 584035631 TUQKMZDUOIXGPJ-GFCCVEGCSA-N 291.738 3.749 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccsc1 730146361 SLUMBUWEHSJLQF-UHFFFAOYSA-N 267.357 3.554 30 20 CHED CCOC(=O)C(C)(C)ON=C1CC[C@H](c2ccccc2)C1 835007041 IJQGOMLJLVBPGT-AWEZNQCLSA-N 289.375 3.668 30 20 CHED C=CC[C@H](OC(=O)CCCC(=O)C1CC1)c1ccccc1 835323561 ODPDOBIMASBWEO-KRWDZBQOSA-N 286.371 3.996 30 20 CHED N#CC[C@@H]1CCCN(C(=O)NCCCC2CCCCC2)C1 595453964 HKUIOGGIIASRHG-INIZCTEOSA-N 291.439 3.682 30 20 CHED CCCCC(=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 915966510 VHTPREGEQWOIDT-UHFFFAOYSA-N 298.346 3.996 30 20 CHED C=CCn1c(SCCCCCCO)nc2ccccc21 749909371 OIWTXDMTQVLMEH-UHFFFAOYSA-N 290.432 3.867 30 20 CHED C(=Nn1cnc2ccccc21)c1coc2ccccc12 746564251 HLFIZWYVVOWNQG-UHFFFAOYSA-N 261.284 3.665 30 20 CHED COc1ccc(CNN=C/C=C\c2ccc(F)cc2)cc1 747753239 LLCACPSBGCNSNI-TWWJHWNPSA-N 284.334 3.623 30 20 CHED CC(Cc1ccc(-c2ccccc2)cc1)=NN(C)C[C@H](C)O 841653377 HULHMODSKKYKDJ-INIZCTEOSA-N 296.414 3.585 30 20 CHED N#Cc1ccc(SC[C@H]2CC2(Cl)Cl)c(F)c1 741859070 KBMOERWFPCAZBX-MRVPVSSYSA-N 276.163 3.983 30 20 CHED N#CC1(CC(=O)N2CCC[C@@H]2C2CCC2)CCCCC1 597124035 GSHXQTUSUPULTL-OAHLLOKOSA-N 274.408 3.642 30 20 CHED CN(CCCOCc1ccccc1)[C@H](C#N)c1ccccc1 595469309 FFSNJIMZAAUCKT-LJQANCHMSA-N 294.398 3.790 30 20 CHED CCOc1ccccc1C(C)=NNc1cccc([N+](=O)[O-])c1 916268941 HHKHZEMSHOREFA-UHFFFAOYSA-N 299.330 3.830 30 20 CHED CCC(=NNC(=S)NC(C)(C)C)c1ccc(Cl)cc1 916343318 BMRXNCISIVMQQB-UHFFFAOYSA-N 297.855 3.717 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cc(C#N)cs2)c1 748439920 BMZWNXOTNJPCNH-SREVYHEPSA-N 283.352 3.915 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1ccnn1CC1CC1)C2=O 849250481 UPJOXZKJIXRMLS-VGSSETLESA-N 292.382 3.985 30 20 CHED C=CCCOCC(=O)OCc1cc(Cl)ccc1Cl 744865886 JVIIGDYUVJFFNH-UHFFFAOYSA-N 289.158 3.629 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C/c1c(C)n[nH]c1C 915988422 VUJGBUWPLDLIFK-AATRIKPKSA-N 290.750 3.585 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)c1c(C)n[nH]c1C)c1ccccc1 910069513 NRQZTTPHCYAMTC-WFASDCNBSA-N 297.402 3.564 30 20 CHED COc1ccc(C=NNc2ccccc2Cl)cc1OC 916262482 MRHXHPAVIOUHNH-UHFFFAOYSA-N 290.750 3.803 30 20 CHED C=C(C)CONC(=O)Nc1cc(C)c(C)cc1Cl 844693179 WDMQPZZYGUQUMZ-UHFFFAOYSA-N 268.744 3.586 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl 593443340 FPWAFWUVLXIDCO-VHSXEESVSA-N 299.201 3.590 30 20 CHED CCON=Cc1ccc(-c2ccccc2OC)cc1 741457806 JUOWOHDNAYXQRF-UHFFFAOYSA-N 255.317 3.733 30 20 CHED CC(C)CC1(N[C@@H](C)c2ccc(C#N)c(F)c2)CC1 595095886 STRWMNFBUDEZPA-LBPRGKRZSA-N 260.356 3.927 30 20 CHED COc1ccc2ncc(C#N)c(N3[C@H]4CCC[C@H]3CC4)c2c1 591921405 MQQIWZKXGKISHQ-KBPBESRZSA-N 293.370 3.636 30 20 CHED Cc1n[nH]c(C)c1C=NNc1cccc2ccccc12 747060315 PKBQVNJUSVCLRM-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C#CCCCNC(=O)[C@@H](C)c1c(Cl)cccc1Cl 742787081 HMMZIURZUCKFNF-JTQLQIEISA-N 284.186 3.627 30 20 CHED CCCn1c(CN2CCC[C@@H](CC#N)C2)nc2ccccc21 597174245 ONENMYZRJLQSCB-HNNXBMFYSA-N 296.418 3.572 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(C(C)(C)C)ccc1OC 844487131 SYAUMZDHGHAUNS-LLVKDONJSA-N 292.379 3.620 30 20 CHED Cc1cc(CSCc2conc2C)ccc1C#N 596379117 CQEUWSMCRPCHKC-UHFFFAOYSA-N 258.346 3.597 30 20 CHED C=CCCC(=O)OCCSc1ccc(C)c(C)c1 744921616 SCFGLGIEGMTUAX-UHFFFAOYSA-N 264.390 3.905 30 20 CHED C[C@@H](C/N=C/c1ccccc1O)Cc1cccs1 741465278 TVLAAKBFKKCWBO-PILJQMSFSA-N 259.374 3.751 30 20 CHED CSc1ccc(C=NNc2cc(Cl)nc(C)n2)cc1 741764132 VDQSVCFIWPIVPP-UHFFFAOYSA-N 292.795 3.606 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2c(C)cc(C)nc2s1 684938753 HJECDXQQKBPRDO-LBPRGKRZSA-N 288.416 3.998 30 20 CHED CCOc1ccc(/C=N/[C@H](C)c2ccc(OC)cc2)c(O)c1 745624344 JTQHDUCYQOTYGH-KZKLBEMASA-N 299.370 3.980 30 20 CHED Clc1cccc([C@H]2CCC(=NNc3ccncn3)C2)c1 841641349 OOMNNKXXMIUHGJ-LBPRGKRZSA-N 286.766 3.866 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)OC1(C#N)CCC1 842320955 UWGJBMVFDNJSEB-ZDUSSCGKSA-N 275.373 3.547 30 20 CHED CC(Cc1cccc(F)c1)=NNc1ccc(Cl)nc1 759204609 FXJYTYZQNYXBNW-UHFFFAOYSA-N 277.730 3.905 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2ocnc2C)cc1 928819445 MHJMNBZYHROZBF-MRXNPFEDSA-N 283.331 3.528 30 20 CHED C#C[C@H](CC)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 754368805 QKOJEHMMGJTWMP-OAHLLOKOSA-N 291.822 3.827 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1cc(F)ccc1F 853783173 QFOQBSYFJLYEFY-MRVPVSSYSA-N 291.750 3.778 30 20 CHED C=CCC[C@@H](C)Nc1ccc(C(C)(C)C(=O)O)cc1 859811033 XSJRPSKBMGCPRK-GFCCVEGCSA-N 261.365 3.815 30 20 CHED CCCN(C(=O)c1ccc(Cl)c(C#N)c1)c1cccnc1 754340650 WBFUJLAXUKHUMX-UHFFFAOYSA-N 299.761 3.663 30 20 CHED CC[C@H](C)C=NNc1ccc(Cl)cc1[N+](=O)[O-] 755651597 VQPHROIGCKPAST-QMMMGPOBSA-N 255.705 3.692 30 20 CHED N#Cc1cc(COC(=O)c2cc3ccccc3o2)ccc1F 758905716 AAWDFNIFQYZXHQ-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CCCCCCCC(=O)NCC[C@H](C)N1CCCCC1 752425316 VJINHANFQJRPMO-INIZCTEOSA-N 282.472 3.728 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc(-n2cccn2)c1 926038549 YGLUZMCTIRHAMX-CYBMUJFWSA-N 268.364 3.613 30 20 CHED CCSc1ccccc1COC(=O)[C@](C)(C#N)CC 922722696 UMDOIOLKGUXYCC-HNNXBMFYSA-N 277.389 3.782 30 20 CHED C=CCC1(NC(=O)Nc2ccc(N)c(C)c2)CCCC1 850767969 SYNCJCAVTLUQFX-UHFFFAOYSA-N 273.380 3.588 30 20 CHED CC(C)(C)c1cnc(Sc2ncccc2C#N)s1 759718160 SGUKXSCAJRMYSV-UHFFFAOYSA-N 275.402 3.858 30 20 CHED C=C(C)COC(=O)C[C@H](CC)c1ccc(OC)cc1 751808329 QFHMQTNUTPQULG-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED C=C(CC)CN[C@H](C)c1nc(Br)ccc1F 926550714 NNABPSTWYDLVCD-SECBINFHSA-N 287.176 3.600 30 20 CHED CN(Cc1ccccc1)c1cccc(Cl)c1C#N 48727856 AMEJATAWESJKCP-UHFFFAOYSA-N 256.736 3.848 30 20 CHED COc1cccc(NN=C[C@H]2C[C@H]2c2ccccc2)c1 755609271 TXASWTHEZHPFEW-PBHICJAKSA-N 266.344 3.897 30 20 CHED C=C[C@@H](C)NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 757006845 OHGBXEKDJCEJCS-HIJJYWJESA-N 283.293 3.799 30 20 CHED C#CCCOC(=O)N[C@H](CC(F)(F)F)c1ccccc1C 859135202 IWNMGENNNPDEPK-CYBMUJFWSA-N 299.292 3.738 30 20 CHED C=CCN(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 752129607 NCFXLRNKKVRXID-HXUWFJFHSA-N 293.410 3.509 30 20 CHED C=CCCCCCCCNC(=O)c1cc[nH]c1CC 752987475 VRGRKPOWILEOLI-UHFFFAOYSA-N 262.397 3.834 30 20 CHED COc1ccc([C@@H]2CCCCC2=NNC2CC2)cc1F 758130114 UKCCNDOQMKOBOP-ZDUSSCGKSA-N 276.355 3.600 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)C(=O)c1ccccc1 759007078 JNUPZWZWHBYNFO-ZDUSSCGKSA-N 272.344 3.569 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C(C)(C)C 868371089 QMOSRVJSHCBBFG-GRYCIOLGSA-N 289.341 3.519 30 20 CHED C=CCN(C(=O)[C@@H](C)CCc1ccc(F)cc1)C1CC1 867201580 KKYMONVBTGREIG-ZDUSSCGKSA-N 275.367 3.571 30 20 CHED CCCCCCCNC(=O)[C@H](C)Cc1ccc(C#N)cc1 862354754 GILLTHXAAUQBFR-OAHLLOKOSA-N 286.419 3.823 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)c(C)c2)c(F)c1 766484396 OGRLABCOBQCIQL-YWEYNIOJSA-N 295.313 3.911 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cccc(OC)c1OC 766771315 CBUSXWRFWXYGQO-CMDGGOBGSA-N 297.354 3.557 30 20 CHED Cc1ccc(C=NNc2ccccc2C(F)(F)F)nc1 761793536 NBCHUGWYCJUPSZ-UHFFFAOYSA-N 279.265 3.855 30 20 CHED Cc1cc(/C=C2/COc3ccccc3C2=O)cnc1Cl 760264188 LBJCRUNHNCHWGZ-GHXNOFRVSA-N 285.730 3.702 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(C(C)C)c(Cl)c1 767303644 RYIKPPOTNNLFEP-LLVKDONJSA-N 263.768 3.557 30 20 CHED N#Cc1ccnc(/C=C\c2cc(Cl)c3c(c2)OCCO3)c1 1116868790 NHCGCZHEGJHWIL-UPHRSURJSA-N 298.729 3.548 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccc(O)c(C)c2)cc1 779507333 ZXCDCLQRSJNTDO-UHFFFAOYSA-N 294.354 3.570 30 20 CHED Cc1cc(C=NNc2ccccc2OC(F)(F)F)c(C)[nH]1 777451167 FTHVQLBRNDRBIY-UHFFFAOYSA-N 297.280 3.976 30 20 CHED C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)C1CC1 772897050 XGVFTDODLBHRIW-UHFFFAOYSA-N 298.361 3.622 30 20 CHED CCOc1ccc(C=NOC2CCCCC2)cc1OC 777458717 KNRJZEYXGVBKPK-UHFFFAOYSA-N 277.364 3.777 30 20 CHED Fc1ccc(CNN=C2CCC[C@@H]2c2ccccn2)cc1 1117102799 LIMLPIKVZWEVRQ-OAHLLOKOSA-N 283.350 3.634 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1cscn1 776193548 RAMLDPJUHCMRJN-WAYWQWQTSA-N 266.325 3.587 30 20 CHED CCCC(=CC(=O)Nc1cc(CC#N)ccn1)CCC 770758554 WCOPMJXEAQMFMQ-UHFFFAOYSA-N 271.364 3.613 30 20 CHED CCC(CC)CN(CCC#N)c1ccc([N+](=O)[O-])cc1 774537854 YUGZRXVFDYGROL-UHFFFAOYSA-N 275.352 3.751 30 20 CHED C#C[C@H](C)OC(=O)c1sc(-c2ccccc2C)nc1C 774103016 GUXFVLGUMPGTSX-NSHDSACASA-N 285.368 3.605 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc2cc(F)ccc2o1 776384700 FTUMENASUVHJTE-UHFFFAOYSA-N 275.279 3.669 30 20 CHED CC(=NNc1cnc2ccccc2n1)C1CCSCC1 777440168 CLGPXHYYOIDCID-UHFFFAOYSA-N 286.404 3.561 30 20 CHED COc1cc(C=NOCCC(F)(F)F)ccc1SC 777461234 WGCXOKIESZWLTK-UHFFFAOYSA-N 293.310 3.720 30 20 CHED C#C[C@H](N[C@@H](CC)c1ccc(Cl)s1)[C@H]1CCCO1 775572971 VQFAWYCYNVNUCK-SDDRHHMPSA-N 283.824 3.623 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc1 776729682 WYFOMZYVRVZMIL-RMKNXTFCSA-N 265.287 3.902 30 20 CHED C#C[C@H](N[C@H](CC)c1cccc(Cl)c1)[C@@H]1CCCO1 775573234 XSHBTRRJMAUDEK-PMPSAXMXSA-N 277.795 3.562 30 20 CHED C[C@H](C#N)COC(=O)c1cccc(Nc2ccccc2)c1 770948337 DIQFDGCDHIHANA-CYBMUJFWSA-N 280.327 3.747 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1cc(C#N)cs1 776523798 MQXVNEBRLDIPNV-LBPRGKRZSA-N 284.384 3.716 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)c(F)c1 772798215 UBRAQIDUFQMNLF-XQRVVYSFSA-N 287.240 3.872 30 20 CHED Cc1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1F 776110092 KFAULZCSPOTQME-UHFFFAOYSA-N 283.302 3.557 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1CC)c1ccccc1 773414625 MGDDWRXPZOXPTH-PVAVHDDUSA-N 284.403 3.581 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCCNc3ccccc32)c1 774253129 NDLFODNKVHLQAM-GOSISDBHSA-N 295.361 3.734 30 20 CHED C=CCCCCCCNC(=O)Nc1c(Cl)c(C)nn1C 888637560 OUAIPVZYDCUJML-UHFFFAOYSA-N 298.818 3.640 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@@H]1C=CCC1 881497053 RUISWOIHTQDDDU-CYBMUJFWSA-N 273.401 3.661 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(O)c(C(C)C)c1)OCC 882655406 MXOBANAUKMGYHP-MRXNPFEDSA-N 291.391 3.825 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(CC)c1O 885642438 CQGMEHUKXIIQMX-UHFFFAOYSA-N 291.391 3.656 30 20 CHED CC(C)CC(=NNC1CCCCC1)c1ccccn1 786042438 WQILHYNEXRDOBL-UHFFFAOYSA-N 259.397 3.754 30 20 CHED Cc1c(F)ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1N 784646771 DOJXZYTYGGVRAG-NSHDSACASA-N 298.317 3.506 30 20 CHED COc1ccc(NN=C(C)Cc2ccc(Cl)cc2)nc1 780275852 GXVSYVLOJJMSPD-UHFFFAOYSA-N 289.766 3.774 30 20 CHED N#CCc1cccc(C(=O)OC2(c3ccccc3)CC2)c1 781756531 QYIBLDQPADULCS-UHFFFAOYSA-N 277.323 3.599 30 20 CHED Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ncc1C#N 1130504798 UVPKGEXTQAADPA-RBSFLKMASA-N 297.402 3.807 30 20 CHED C[C@@H](C(=O)OCCCC(C)(C)C#N)c1cccc(F)c1 783879955 FNYIHABLGOZKHU-GFCCVEGCSA-N 277.339 3.802 30 20 CHED C[C@H](CC(=O)OC1(C#N)CCC1)c1c[nH]c2ccccc12 786460951 YEOPIFKGJRCZHM-GFCCVEGCSA-N 282.343 3.651 30 20 CHED C=CC1(OC(=O)C2CCC(C(F)(F)F)CC2)CC1 893363534 CCTMZSBRCNSEEE-UHFFFAOYSA-N 262.271 3.617 30 20 CHED C[C@H]1CCC[C@@H](CCOC(=O)CC(C)(C)C#N)C1 785108577 RVPIIMGZWXRKGC-STQMWFEESA-N 251.370 3.686 30 20 CHED CN=[S@](C)(=O)c1cccc(N[C@@H](C)CC(C)(C)C#N)c1 896038466 QDHNCUIECKKPBZ-FKIZINRSSA-N 293.436 3.513 30 20 CHED COc1cc(C)cc(-c2noc(CCCCCC#N)n2)c1 897059610 RTMNSMVNFNLCGH-UHFFFAOYSA-N 285.347 3.680 30 20 CHED N#Cc1cc(F)c(N[C@H](c2ccccn2)C2CC2)c(F)c1 895793586 MQVPEBKBQKJNQL-HNNXBMFYSA-N 285.297 3.795 30 20 CHED CCC#CCOC(=O)CCc1ncc(-c2ccc(C)cc2)o1 893833526 SMNDSFWHGNNAJP-UHFFFAOYSA-N 297.354 3.539 30 20 CHED C=CCN(C(=O)c1nc(Cl)ccc1Cl)C(C)(C)C 165234103 NCULHTQSYZIRCH-UHFFFAOYSA-N 287.190 3.815 30 20 CHED CC(=NNc1ncccc1C)c1ccc(F)cc1C 790189825 DKQSGWCWYSKULA-UHFFFAOYSA-N 257.312 3.674 30 20 CHED COc1ccccc1CON=Cc1cccc(C)c1 799117405 KUTGCYNQDOOFNN-UHFFFAOYSA-N 255.317 3.554 30 20 CHED CCCC[C@@H](CC)CNC(=O)/C=C\c1ccccc1C#N 799431615 ZBXIQNUQKJCALT-QYMJWVLRSA-N 284.403 3.904 30 20 CHED CC(C)[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)CCO1 70348181 CTFJHCAYHIOGBX-UKRRQHHQSA-N 278.783 3.827 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1\CCc2ccc(O)cc2C1=O 794960158 MMNRXOFRXDWGTD-XYOKQWHBSA-N 296.370 3.625 30 20 CHED C=CCN(CCC#N)CC(=O)Nc1ccc([C@@H](C)CC)cc1 794731520 BCQFVQUNTVQLRY-HNNXBMFYSA-N 299.418 3.540 30 20 CHED CCO[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1 721168447 OVTAPSIFJIAUQA-XOKHGSTOSA-N 272.392 3.557 30 20 CHED C#C[C@@H](NC(=O)N(CC)Cc1ccccc1Cl)C(C)C 798557392 TWYHFJNCJBLVEG-OAHLLOKOSA-N 292.810 3.529 30 20 CHED CC#CCOC(=O)c1ccc2nc(-c3ccccc3)oc2c1 796047095 RQJSRIQCJFIDLU-UHFFFAOYSA-N 291.306 3.675 30 20 CHED CCCCCCCCCC(=O)N1CCCC[C@@H]1CO 59252833 YSZOQUPNTWMGME-OAHLLOKOSA-N 269.429 3.501 30 20 CHED Cc1cc(NN=C[C@@H](OC(C)C)c2ccccc2)nc(C)n1 792978153 RLLOZHALZXKTBA-MRXNPFEDSA-N 298.390 3.657 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc(Cl)cc1Cl 797090864 RGVYFKSVCWINOH-ZDUSSCGKSA-N 286.158 3.976 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2cccc(Cl)n2)C1 793175218 RXMVGVVKQLLLEG-GHMZBOCLSA-N 251.761 3.959 30 20 CHED C[C@@H](NN=C(C[C@H]1CCOC1)c1ccccc1)C(C)(C)C 793112929 YDCPTXUNKGKBRZ-HUUCEWRRSA-N 288.435 3.842 30 20 CHED COc1cccc2cc(/C=C\c3ccncc3C#N)oc12 794713210 LMZSRHPBIHYWMY-WAYWQWQTSA-N 276.295 3.878 30 20 CHED c1cncc([C@H]2CCCC(=NO[C@@H]3CCCCO3)C2)c1 799884720 JBHBBCOQVQSXQS-XJKSGUPXSA-N 274.364 3.638 30 20 CHED Cc1ccc(C=NNc2cccc(F)n2)cc1Cl 795008558 LLANCONSUWAMIL-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C#CCN(C(=O)c1cc(F)ccc1C)C1CCCCC1 65776923 YNXIEQYJDFGBDI-UHFFFAOYSA-N 273.351 3.542 30 20 CHED COc1ccc(OC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 796513666 YJQUTCGOWPGLGF-UHFFFAOYSA-N 295.338 3.716 30 20 CHED C[C@@H](C#N)OC(=O)c1occc1CSc1ccccc1 792737012 CAGPOCRMSDELCJ-NSHDSACASA-N 287.340 3.641 30 20 CHED C#CCN1CCC(F)(c2ccccc2C(F)(F)F)CC1 799176355 OQGIOVRMSFDXRU-UHFFFAOYSA-N 285.284 3.599 30 20 CHED CN(CCC#N)C(=O)c1cc2c(ccc3ccccc32)o1 1142405457 RKGSQBSUXRNJMA-UHFFFAOYSA-N 278.311 3.572 30 20 CHED CC(C)(C)CN(CCC#N)CCOc1cccc(Cl)c1 574203728 XCEDIHXERIRYNG-UHFFFAOYSA-N 294.826 3.981 30 20 CHED CCOCc1ccccc1CN[C@H](C)CC(C)(C)C#N 695844793 YVGMXBVHJXSKEI-CQSZACIVSA-N 274.408 3.641 30 20 CHED N#Cc1sc(N[C@@H]2C[C@H]2c2ccccc2F)nc1Cl 1307138216 XCYSZOYSXZGGMC-WCBMZHEXSA-N 293.754 3.775 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)Nc1sccc1C#N 1310956361 IOVKBZXPLSSESA-JTQLQIEISA-N 279.409 3.956 30 20 CHED C[C@H](CNc1ccc(OCC#N)cc1)c1ccc(F)cc1 1326044779 WYYHIXWNPUULAQ-CYBMUJFWSA-N 284.334 3.944 30 20 CHED C[C@H](CCCC(F)(F)F)NC(=O)CC#Cc1ccccc1 1324576624 RMXGHAKPDCAQEC-CYBMUJFWSA-N 297.320 3.666 30 20 CHED CCCCCC[C@@H](C)C(=O)OCc1ccc(C#N)cn1 1326397593 XCQLODGYHVCEFR-CYBMUJFWSA-N 274.364 3.603 30 20 CHED CCc1cccnc1-c1noc(-c2cccc(C#N)c2C)n1 1327280066 FMVGFLMOKTVMSB-UHFFFAOYSA-N 290.326 3.541 30 20 CHED C[C@H]1CC(=NNc2ccccc2Cl)CC[C@@H]1C(=O)O 1324915286 WVNIZUGBCXVUEQ-ONGXEEELSA-N 280.755 3.629 30 20 CHED Cc1ccc(-c2nnc(/C=C\c3ccccc3C#N)o2)o1 1324223861 VSYSJQHFFUXNCO-CLFYSBASSA-N 277.283 3.680 30 20 CHED C#Cc1cccc(N(C(=O)/C=C\c2nccs2)C(C)C)c1 1336916205 JZIPTTISZICDHX-HJWRWDBZSA-N 296.395 3.579 30 20 CHED CCN(C(=O)CC#Cc1ccccc1)c1ccc(F)c(F)c1 1252950582 BEEHFNXNUKKMAD-UHFFFAOYSA-N 299.320 3.760 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc(O)cc2OC)c1 1337919900 BUMBOVOICRNRKI-CSKARUKUSA-N 298.338 3.696 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc(C)c(C)cc1Cl 1339196249 MPOOYVKERTYYKC-LBPRGKRZSA-N 278.783 3.721 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccnn1C(CC)CC 1336218859 SFPLYMZLNOGNTD-OAHLLOKOSA-N 289.423 3.815 30 20 CHED C=C(C)CCC(=O)OCc1sc(C)nc1C(F)(F)F 1348080244 COHDIQJLUDYGAK-UHFFFAOYSA-N 293.310 3.870 30 20 CHED N#Cc1cc(F)ccc1N(Cc1cccs1)C1CC1 104253356 JJJIHMXJXWRWAD-UHFFFAOYSA-N 272.348 3.928 30 20 CHED CC[C@H](O)c1ccc(OCc2ccc(C#N)s2)cc1 1353920710 BLRSEEWOJARQGJ-HNNXBMFYSA-N 273.357 3.642 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(C#N)ccc1C 1359854760 RDEGNNBXXZZDBO-DOTOQJQBSA-N 284.403 3.955 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)cc1C#N 1457376255 OCRRHJJVZGSSGM-XJKSGUPXSA-N 284.403 3.811 30 20 CHED C[C@H](NC(=O)c1ccsc1C#N)c1cc2ccccc2o1 1459030908 QRBNCDDZAQVYCZ-JTQLQIEISA-N 296.351 3.857 30 20 CHED C[C@@H]1C[C@H](CCNc2cc(C#N)ncn2)CC(C)(C)C1 1458358885 KMZYJWOKYUECDU-OLZOCXBDSA-N 272.396 3.613 30 20 CHED N#Cc1cccc(N[C@H]2CCC[C@H](CCCC(=O)O)C2)c1 1608218158 IJAKKFDOCGPDGS-HIFRSBDPSA-N 286.375 3.784 30 20 CHED C=CCN(c1ccccc1)[C@H](C)c1ncc(C(=O)O)s1 1602894499 GYWKTQVAVJNVMA-LLVKDONJSA-N 288.372 3.595 30 20 CHED CCc1ccc(C(C)(C)CN=c2cc(C)[nH]cc2C#N)cc1 1472715602 YQFXFUPWHYMXSV-UHFFFAOYSA-N 293.414 3.636 30 20 CHED Cc1cccc(C2(C(=O)N(C)[C@@H](C)CC#N)CCCCC2)c1 1617526043 KGWKMYRDLRRSML-INIZCTEOSA-N 298.430 3.958 30 20 CHED CCc1ccc(NC(=O)c2ccccc2CC#N)cc1C 1623191914 MEUWVXFYNIEFIE-UHFFFAOYSA-N 278.355 3.876 30 20 CHED C#CCCCCC(=O)Nc1ccc(OCCC)cc1 120074960 FZRFPXLAKKWSMS-UHFFFAOYSA-N 259.349 3.608 30 20 CHED CC(C)(C)CN(CCC#N)c1nc2ccccc2nc1F 1639732637 KQXQRERHVWDTSE-UHFFFAOYSA-N 286.354 3.535 30 20 CHED C[C@H]1CCC(C)(C)N1Cc1ccc(Cl)cc1C#N 1643397413 DGMRGPMCMBCDSM-NSHDSACASA-N 262.784 3.975 30 20 CHED COCc1cc(Nc2cccc(F)c2C#N)ccc1OC 1640307447 JPLFCDJQYJOHQL-UHFFFAOYSA-N 286.306 3.596 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCCc1ccc(C#N)cc1 1653367494 RGODRJCJZPGGMC-JKIFEVAISA-N 256.393 3.515 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1ccc(Cl)cc1 122296479 FTKRMDZJTASWFB-CYBMUJFWSA-N 250.773 3.930 30 20 CHED Cc1ccc(Nc2ccc(C#N)c(C)n2)cc1N1CCCC1 1651393380 ISPSQDLXNAQNDD-UHFFFAOYSA-N 292.386 3.914 30 20 CHED N#Cc1c(F)cccc1NCc1cccc2ncccc12 1651396343 OJBFFCJUJPWOAI-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(F)c1 1678225497 NUFIQXMXHKGYMG-GFCCVEGCSA-N 289.354 3.645 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2cccc(C3CC3)c2)C1 1776155738 SOTQJJDIUKIHSJ-IBGZPJMESA-N 299.414 3.807 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cccc(C(=O)O)c1C 1776086918 WUICFCLFQLJNDF-UHFFFAOYSA-N 294.354 3.764 30 20 CHED Cc1c(NN=CCCc2ccccc2)cccc1C(=O)O 1776086438 UVUVPXGBZAPBOQ-UHFFFAOYSA-N 282.343 3.724 30 20 CHED C=CCN(C)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 161545104 LKSUBAOIBXRFAU-LLVKDONJSA-N 285.309 3.843 30 20 CHED CCN(C(=O)[C@@H]1C[C@@]1(C)CC)[C@@H](C)c1ccc(C#N)cc1 161733252 LLEVBAWHSXJCJU-QANKJYHBSA-N 284.403 3.904 30 20 CHED C[C@@H](CC#N)N(C)CCCOc1ccc2ccccc2c1 161947647 DPCXAFKYAVFCMO-HNNXBMFYSA-N 282.387 3.843 30 20 CHED Cc1ccc(C#N)c(N2CC=C(c3ccc(F)cc3)CC2)n1 160402460 PCHURNMFJOVYGQ-UHFFFAOYSA-N 293.345 3.695 30 20 CHED C#CCOc1ccc(CN[C@H]2CCCc3sccc32)cc1 160965862 QLQBWBAEBRSKAH-KRWDZBQOSA-N 297.423 3.927 30 20 CHED CCCCOc1ccccc1/C=C/C(=O)c1cnccn1 163355025 RYCWDJAHUKZXCM-CMDGGOBGSA-N 282.343 3.552 30 20 CHED C=CCn1c(COc2ccccc2)nnc1SC(C)C 155223394 ACFZJXOBCANZEC-UHFFFAOYSA-N 289.404 3.544 30 20 CHED O=C(/C=C/c1cccc(-n2cccn2)c1)c1ccccc1F 157190182 LNIRSHJIKNMOHC-MDZDMXLPSA-N 292.313 3.908 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C(F)(F)F)s1)C(C)(C)C 807883095 FYBUAJRQIAEVEI-SECBINFHSA-N 289.322 3.545 30 20 CHED C#Cc1ccc(CNCC(CC)(CC)SC)cc1 809625018 UMNAVJZXGBCQJN-UHFFFAOYSA-N 261.434 3.679 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1ccc(OC)cc1 135670687 PBYVAPZFYDXLRX-INIZCTEOSA-N 286.400 3.869 30 20 CHED COc1ccc(C#N)cc1NC1CCC(C)(C)CC1 1308678674 ZAQATHZKQKDXNM-UHFFFAOYSA-N 258.365 3.948 30 20 CHED CCc1noc(C)c1COc1ccc(C#N)c(Cl)c1 275821701 FRAZMSVZQSWMIF-UHFFFAOYSA-N 276.723 3.650 30 20 CHED COCCC[C@@H](C)Nc1cccc(OCCCC#N)c1 179822303 HEUNWFVUHVJILM-CQSZACIVSA-N 276.380 3.596 30 20 CHED N#CCN(C[C@@H]1CCC2(CCCCC2)O1)C1CCCC1 190973135 KZRXEDIWQUOIOL-INIZCTEOSA-N 276.424 3.636 30 20 CHED CC(C)[C@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 71029244 JQGHTPTZMXNTGV-HNNXBMFYSA-N 274.383 3.955 30 20 CHED C[C@H](CCCC(F)(F)F)NCc1ccc(C#N)c(F)c1 404625385 BRPDMPUIYHZYMH-SNVBAGLBSA-N 288.288 3.908 30 20 CHED Cc1nnc(NCC2CCC(C)(C)CC2)c(C#N)c1C 313023185 DDFYOXNUHXFWPT-UHFFFAOYSA-N 272.396 3.593 30 20 CHED CCC(C)(C)C(=O)Nc1sc(C)c(C)c1C#N 330414890 CSHLSRCONYIPPY-UHFFFAOYSA-N 250.367 3.611 30 20 CHED N#Cc1ccnc(SCCC(F)(F)F)c1Cl 343074371 VXSABHUILYLNAL-UHFFFAOYSA-N 266.675 3.651 30 20 CHED C#CCN(C(=O)c1ccc(C)cc1F)C1CCCCC1 688814338 PWNDLHDLKTWUIL-UHFFFAOYSA-N 273.351 3.542 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1csc(C(=O)O)c1 689079045 RSMWTCUAABFRTI-OLZOCXBDSA-N 279.405 3.671 30 20 CHED C=CCN(CCC)Cc1c(C(=O)O)oc2ccccc12 382481032 OSLBIYSZRCJIDK-UHFFFAOYSA-N 273.332 3.529 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCc1ccccc1C 804837116 WQQVLWLMIURLFI-UHFFFAOYSA-N 291.394 3.590 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 397701454 RPAZSPYXNGQJSL-SNVBAGLBSA-N 297.185 3.759 30 20 CHED C=C(Br)CN(C)Cc1ccc(F)c(Cl)c1 763823087 HIUJPXDSBFNERN-UHFFFAOYSA-N 292.579 3.820 30 20 CHED C#CCN(Cc1cnc(Cl)c(C)c1)C1CCCCC1 769146451 ZSHUYHUJKLWDJG-UHFFFAOYSA-N 276.811 3.811 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccccc2F)ccc1O 7741111 SYTJYWBPYLTAML-VQHVLOKHSA-N 286.302 3.826 30 20 CHED N#Cc1ccc(Oc2ccc(NC(=O)C3CC3)cc2)cc1 52390592 ZOQGWXQSFIQODA-UHFFFAOYSA-N 278.311 3.699 30 20 CHED N#Cc1cccc(NC(=O)N2CCc3ccc(Cl)cc32)c1 58514134 VPVICZVNFOTFJW-UHFFFAOYSA-N 297.745 3.806 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Cc2cc(F)ccc21 114992276 MMUHMIUPZUTNQE-KPKJPENVSA-N 283.258 3.556 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(Cl)c(C#N)c2)o1 175436283 ZZJQWLNXPISGHH-UHFFFAOYSA-N 274.707 3.674 30 20 CHED Cc1ncc(CNc2cc(C#N)ccc2OC(C)C)s1 172889160 ZFNVVWXJMKFYPR-UHFFFAOYSA-N 287.388 3.723 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 119973817 MALQWHXYUQZMSO-PBHICJAKSA-N 270.376 3.862 30 20 CHED C=CCCCC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 179106323 QJOGHEFXNUGHJK-DOTOQJQBSA-N 287.403 3.627 30 20 CHED CCN(CC)C(=O)Nc1ccccc1S[C@@H](C)CC#N 109028090 CQJUEIDGRONGED-LBPRGKRZSA-N 291.420 3.955 30 20 CHED C#CCCCCC(=O)N[C@H](C)Cc1ccc(C)cc1C 119826959 LLUFXHXXONNZQS-MRXNPFEDSA-N 271.404 3.544 30 20 CHED Cc1csc(-c2ccc(NC(=O)C3(C#N)CCC3)cc2)n1 119826913 YELYFGWOGNEDCF-UHFFFAOYSA-N 297.383 3.751 30 20 CHED Cc1ccc(OCCOc2ccc(C#N)cc2Cl)cc1 61412361 JZQPJNRNHVFZAH-UHFFFAOYSA-N 287.746 3.978 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)c(Cl)cn1 175748786 JOBZXCBFZVAHEO-UHFFFAOYSA-N 259.136 3.683 30 20 CHED C=CC1CCN(C(=O)Nc2ccccc2OCC)CC1 111706570 AJLHPBBWSLKBSI-UHFFFAOYSA-N 274.364 3.515 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1csc(CC)n1 63300201 PVNWCMRTFOSDSW-UHFFFAOYSA-N 297.427 3.765 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cc1F)c1ccccn1 178788817 YUFYVPFXHFROPE-MRXNPFEDSA-N 283.350 3.723 30 20 CHED CC(C)c1ccc(CN(c2ccc(C#N)nn2)C2CC2)cc1 301922474 LEPAAKQHNNPXEW-UHFFFAOYSA-N 292.386 3.641 30 20 CHED Cc1ccc(O[C@@H](C)CNc2ccc(C#N)cc2)cc1 301460943 OBEXSLONUZILDA-AWEZNQCLSA-N 266.344 3.746 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCC[C@@H]1CCOC1 400553705 PCNMUOKLENXPBF-LLVKDONJSA-N 298.308 3.806 30 20 CHED C=CCC[C@@H](NC[C@H](c1ccco1)N1CCCC1)C1CC1 119811209 XSDCFBHBYKKXBF-IAGOWNOFSA-N 288.435 3.751 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 119952758 MQQAMASHQCZTJZ-ZBFHGGJFSA-N 299.480 3.518 30 20 CHED C[C@@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)[C@@H]1C 301499279 WCTZKXLSBADCAF-NXEZZACHSA-N 268.282 3.812 30 20 CHED Cc1c(C(=O)OC(C)(C)C#N)oc2c(C)cccc12 181825339 DWCLDIZJEUNEEP-UHFFFAOYSA-N 257.289 3.509 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCc1ccc(C)cc1 78553928 JJZLUFYTDNSGAM-UHFFFAOYSA-N 294.398 3.893 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(C#N)nc2)C1 301551883 YOMKNZSOGIGZFD-HUUCEWRRSA-N 277.371 3.644 30 20 CHED COc1ccccc1/C=C1/COc2c(C)cc(C)cc2C1=O 214021400 SYIXRXXTSYUQJC-GDNBJRDFSA-N 294.350 3.971 30 20 CHED CCCc1nc(COc2ccc(C#N)c(C)c2)cs1 434649829 DSEMZGSMXBMKPB-UHFFFAOYSA-N 272.373 3.855 30 20 CHED C=CC1CCN(C(=O)CCCc2ccc(C)s2)CC1 175786261 FXWBBHJPZRWCIM-UHFFFAOYSA-N 277.433 3.804 30 20 CHED C=CCN(Cc1ccccc1)c1ccc(Cl)c(C#N)n1 302071934 UTFKSVBURBXULB-UHFFFAOYSA-N 283.762 3.799 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 180437067 VLRPWUDHBHJYLR-QZTJIDSGSA-N 279.383 3.978 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc(SC)cc1 69353330 CYNYAEQUTVQVHD-CHWSQXEVSA-N 293.432 3.567 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C 66416446 AQDTVRDRPGDMGH-CZUORRHYSA-N 270.376 3.599 30 20 CHED C[C@H]1CCCC[C@H]1OCCNCC(C)(C)CCC#N 174284940 YVCYVZXUSQVYIP-LSDHHAIUSA-N 266.429 3.501 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(C#N)cc1 123121793 BJADJBRGOSVEAK-DLBZAZTESA-N 299.418 3.668 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CCCC(F)(F)C1 409966697 MRLYMTYJXKLDTJ-LBPRGKRZSA-N 286.366 3.791 30 20 CHED N#Cc1ccc(F)c(CNc2cc(C(F)(F)F)ccn2)c1 301586177 WCRKIYNTJDSWGI-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C=C(C)CN(C)C(=O)c1csc(-c2ccc(F)cc2)n1 180429110 LZFAXFCAFCTYTA-UHFFFAOYSA-N 290.363 3.597 30 20 CHED C[C@H](CN[C@H]1CCC[C@H](C#N)C1)COCc1ccccc1 185804947 ZPSPRPIIWMYPGW-NJAFHUGGSA-N 286.419 3.511 30 20 CHED C=CC1CCN(C(=O)c2ccc(Cl)cc2C)CC1 124116733 BYYAWFBCVPBDLI-UHFFFAOYSA-N 263.768 3.687 30 20 CHED C#CCOc1ccccc1NCc1cccc2cccnc12 184625977 RPBWGJSXIYJQCH-UHFFFAOYSA-N 288.350 3.859 30 20 CHED C=CCS[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 180387642 FROMESJUWCJGSF-GFCCVEGCSA-N 285.771 3.504 30 20 CHED CC(C)(C#N)CCCCS(=O)(=O)CC1CCCCC1 435695324 ZVBFRMOLKKGDIK-UHFFFAOYSA-N 285.453 3.702 30 20 CHED Cc1c(C)c(C)c(CN2CCC(C#N)CC2)c(C)c1C 483428065 MBRNMKVHFOSHOS-UHFFFAOYSA-N 270.420 3.964 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc(C(C)C)cc1 210379929 PJARQMDBPMLUFT-KTKRTIGZSA-N 268.360 3.923 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ccccc1OC 181402593 HEMNZZRLUUVZRB-AWEZNQCLSA-N 290.407 3.581 30 20 CHED N#CCCCCNC(=O)N1CCCC2(CCCCC2)CC1 189344995 IWBGHJLGQBBAJP-UHFFFAOYSA-N 291.439 3.826 30 20 CHED COc1ccc2c(c1)C[C@H](Nc1cccc(C#N)c1)CC2 129433034 CXTOQUNNBIJEGJ-QGZVFWFLSA-N 278.355 3.536 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)s1 487878250 OYOMGKPTLGUMFS-UHFFFAOYSA-N 270.401 3.869 30 20 CHED CC(=O)Nc1ccc(OCCC2(C#N)CCCCC2)cc1 418757904 GFJLNTMZUROLHN-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1OCC1CC1 77728052 CUBSBTLSHCIIRQ-GFCCVEGCSA-N 274.364 3.562 30 20 CHED CCC(C)(C)C1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 502331300 ITVXJBVMEKQQFB-UHFFFAOYSA-N 287.407 3.611 30 20 CHED C=C(C)CN(C)Cc1csc(CCC(C)C)n1 181322605 PHBWVWGDRNPNBG-UHFFFAOYSA-N 252.427 3.740 30 20 CHED CC(C)(CCC#N)CN[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 414587770 VKSICLCYONXXIG-UONOGXRCSA-N 280.456 3.888 30 20 CHED Fc1ccc(CO/N=C2/CCCOCC2)cc1Cl 189346393 AYRNIONFDOCOST-WJDWOHSUSA-N 271.719 3.552 30 20 CHED C[C@H](NC(=O)c1ccc(Cl)s1)c1cccc(C#N)c1 75269097 DZQNYROMJXGBDR-VIFPVBQESA-N 290.775 3.764 30 20 CHED N#CCN(C(=O)c1cccc(C(F)F)c1)C1CCCC1 172453944 WFPFHQLMNLEKML-UHFFFAOYSA-N 278.302 3.533 30 20 CHED C[C@H](C#N)N[C@@H](Cc1ccccc1)c1ccccc1F 122727703 ZJXCWHIDCQFYET-DYVFJYSZSA-N 268.335 3.611 30 20 CHED N#Cc1cccc(OCCOc2cc(Cl)ccc2C#N)c1 314163978 ISTKASXEUBOTNT-UHFFFAOYSA-N 298.729 3.541 30 20 CHED CCC(CC)[C@@H]1C[C@H](Nc2nc(C)ccc2C#N)CCO1 182971815 ZWTGIHWLSWZXRG-CVEARBPZSA-N 287.407 3.657 30 20 CHED C[C@H](C#N)CNCc1cccc(OCc2ccc(F)cc2)c1 183840315 RSLGPBHJYJAIRR-CQSZACIVSA-N 298.361 3.654 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 410133615 ZLBGJIKJWXWJMK-SOUVJXGZSA-N 277.795 3.914 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 507221955 QBACOIMIDDAMAD-LBPRGKRZSA-N 295.810 3.826 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)[C@H](C)Cc1ccsc1 186278120 XMQRWOPQDJLIRT-CYBMUJFWSA-N 298.411 3.713 30 20 CHED C=CCN(Cc1cnn(CC(C)C)c1)Cc1cccs1 182989839 QODNHFOVHDAJHE-UHFFFAOYSA-N 289.448 3.789 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Oc1cc(C)ccc1Cl 410136328 VLPYNZRDKRPVEW-QWHCGFSZSA-N 295.810 3.887 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc(C#N)c1 72045905 QAWHWMGHCRZJIA-UHFFFAOYSA-N 276.383 3.789 30 20 CHED N#Cc1ccc(F)c(CSc2ncc3ccccn23)c1 48393460 QYLVZWWAWTWONP-UHFFFAOYSA-N 283.331 3.637 30 20 CHED CC[C@@H]1[C@H](C)CCN1Cc1ccc(O[C@@H](C)C#N)cc1 187583571 KPHVLYRVXDRMGO-JKIFEVAISA-N 272.392 3.598 30 20 CHED Cc1cc(N2CCCC3(CCC3)C2)c(C#N)cc1[N+](=O)[O-] 413265606 KZSXGZHQQBJSOQ-UHFFFAOYSA-N 285.347 3.545 30 20 CHED C[C@H](NC(=O)NCCC1=CCCCC1)c1ccc(C#N)cc1 47654060 PEFSFBXUBQRHEI-AWEZNQCLSA-N 297.402 3.809 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(C#N)cc1 283728152 YWRCOGDKQDBLRY-ZDUSSCGKSA-N 270.376 3.599 30 20 CHED CO[C@H]1CCC[C@H](C(O)=Nc2scnc2C2CC2)C1 328961343 QQBOHSGDEBRCCA-QWRGUYRKSA-N 280.393 3.814 30 20 CHED N#CCc1ccc(NC(=O)C(C2CC2)C2CC2)c(Cl)c1 411020954 VMUDDPJRHITKNH-UHFFFAOYSA-N 288.778 3.781 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)c(OC)c(F)c1OC 411054181 ZWZVEVVVVRAGBN-HNNXBMFYSA-N 299.317 3.523 30 20 CHED C=C(C)CN(CC)C(=O)NCCSc1ccc(C)cc1 505824606 LRYDVNNWTXKHHM-UHFFFAOYSA-N 292.448 3.695 30 20 CHED CCOc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 45027091 LPTNNDUYJWMSMC-UHFFFAOYSA-N 281.315 3.601 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CCCc2cccs2)n1 41521528 XZXNQRQSHCRBMT-LBPRGKRZSA-N 290.413 3.712 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccc(C)cc1 505280312 JBJXLYLGLSNGPZ-OAHLLOKOSA-N 289.444 3.817 30 20 CHED N#Cc1ccccc1CN(C1CCCCC1)C1CC1 47903830 PYQHVFULWBNMER-UHFFFAOYSA-N 254.377 3.855 30 20 CHED CC[C@H](C(=O)N[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 84186790 QZDFMMRHYWRIME-GWCFXTLKSA-N 298.308 3.617 30 20 CHED Cc1nccc(N=C(O)c2scnc2C2CCCC2)n1 329778006 KVPFIMCBNHRRIA-UHFFFAOYSA-N 288.376 3.535 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 517261018 SMRWYQFHEUDWOI-CHWSQXEVSA-N 290.750 3.839 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@H](CCC)C2)c1 135380814 MLXBPJTYIZLKOK-HNNXBMFYSA-N 270.376 3.712 30 20 CHED N#Cc1c(N2CCCC[C@H]2c2ccco2)ncc2c1CCC2 425222039 GCOYYEFTJMJQNO-INIZCTEOSA-N 293.370 3.767 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccsc2)cc1C#N 130777724 VGYRRQKYUFDMED-UHFFFAOYSA-N 286.356 3.659 30 20 CHED CC1(C)CCC[C@@H]1/N=C(/O)[C@@H]1CCC(=O)c2cccn21 329829468 JSNPOLWXRASRMG-JSGCOSHPSA-N 274.364 3.541 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1ccc2[nH]c(C)cc2c1 512195520 JOAXMXOOZIYLHK-INIZCTEOSA-N 297.402 3.726 30 20 CHED C=C(CNC(=O)N1CC(C2CCCC2)C1)c1ccccc1 512678048 ONWJKCJPRGHGNQ-UHFFFAOYSA-N 284.403 3.531 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1cc(F)cc(F)c1 88305158 AMAFPJBNGFHOJG-ZZXKWVIFSA-N 260.239 3.567 30 20 CHED N#CCc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1 334393801 ARQIELJSTJUSQY-UHFFFAOYSA-N 295.729 3.530 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 336579820 IPXUKXFJPLAOID-INIZCTEOSA-N 282.387 3.668 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCc3ccsc3C2)c1 334991653 MUZOAEIPJBCWPH-UHFFFAOYSA-N 297.383 3.518 30 20 CHED N#CCCC[S@@](=O)Cc1ccc(Cl)cc1Cl 190730558 FPWOMYARPXBQAU-MRXNPFEDSA-N 276.188 3.546 30 20 CHED CC(C)(C#N)CCN1C[C@H]2CC[C@H]1c1ccccc12 338586207 CWSHEGWQZUAPDL-CJNGLKHVSA-N 254.377 3.861 30 20 CHED CC[C@H](C)Oc1ccc(NCc2cc(C#N)n(C)c2)cc1 190861406 XDLCMHUKIUQKAH-ZDUSSCGKSA-N 283.375 3.686 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cc3ccccc3s2)C1 335285807 HPRLQFUDCMSBJX-YPMHNXCESA-N 256.374 3.683 30 20 CHED Cc1ccc(-c2n[nH]c(S[C@@H]3CC[C@@H](C#N)C3)n2)cc1 336266326 USMCDQWGIZYERP-DGCLKSJQSA-N 284.388 3.565 30 20 CHED CC1(C)C(C/N=C(/O)[C@@H]2CCC(=O)c3cccn32)C1(C)C 330108075 NBFPNLAPZMDFHS-LBPRGKRZSA-N 288.391 3.644 30 20 CHED C=CCC(C)(C)c1nc(-c2ccnc(N3CCCC3)c2)no1 426424473 HINZASOTKBRCRX-UHFFFAOYSA-N 298.390 3.586 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCC[C@@H]1C#N 331153178 XSDGHUUUOPHZAK-OAGGEKHMSA-N 276.424 3.791 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2cc(F)ccc2F)c1 334348229 YMEOTQYYLMCNAB-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(Cl)c2F)C1 617783248 WRRSFRBYZVONLM-NSHDSACASA-N 281.758 3.907 30 20 CHED N#Cc1cnc(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c(Cl)c1 434946685 LAHWKCYHXKAOOI-VNQPRFMTSA-N 295.773 3.747 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 516837015 NJOKRVURJXWJPW-IIAWOOMASA-N 299.418 3.745 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC(C)(C)Cc2occc21 436311014 WLDDFDFWFDAJGA-UNEWFSDZSA-N 289.419 3.864 30 20 CHED C/C(O)=N/C1CCC(Nc2cnc3c(c2)CCCC3)CC1 330297848 HCNNAYCNHDKZPP-UHFFFAOYSA-N 287.407 3.660 30 20 CHED N#Cc1ccc(C(=O)Nc2ccsc2Cl)s1 336451318 ZYDJKAMDKLGJIC-UHFFFAOYSA-N 268.750 3.587 30 20 CHED CC[C@@H](C)CN(C)Cc1ccc(N(C)CCC#N)cc1 91796525 JAAWKCGKHIYQLU-OAHLLOKOSA-N 273.424 3.514 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3nccnc3c2)cc1 96405124 CZEUWHOPKPDONT-UITAMQMPSA-N 274.323 3.834 30 20 CHED N#CC1(F)CCN(c2nc(-c3ccccc3)cs2)CC1 343225839 PYBRIWUTBOYQOI-UHFFFAOYSA-N 287.363 3.642 30 20 CHED C=CC[C@H]1N(C(=O)C[C@@H](C)SC)CCCC1(C)C 347477148 CIVUBWPNGFFPRP-CHWSQXEVSA-N 269.454 3.721 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(-c2ccccc2C)c1C 341656827 UDNRADALLBVUEU-OAHLLOKOSA-N 297.402 3.574 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@@H](C)c1ccc(C#N)cc1 246415953 FQXGFIXOMWWKII-AFAVFJNCSA-N 282.387 3.514 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)c2cncc(F)c2)c1C#N 343553149 CFYNYLSPMDMQJM-VIFPVBQESA-N 290.729 3.622 30 20 CHED C=CCOCCCN1CCC[C@H]1c1ccc(CC)o1 348065438 ZJIAXGJLCCQOBK-HNNXBMFYSA-N 263.381 3.572 30 20 CHED CCCCn1c(SCC2(C#N)CC2)nc(C)c1C 347065454 IJEIXKQNYWPOEL-UHFFFAOYSA-N 263.410 3.696 30 20 CHED COc1cccc([C@H]2C[C@H](C)CN2c2cccc(C#N)n2)c1 343427580 GAGVFRTZIZWQGA-SUMWQHHRSA-N 293.370 3.549 30 20 CHED C[C@H](CCC#N)CN1CC[C@H](c2cccc(F)c2)C1 602462876 DJCJMKKMDPOGTG-HIFRSBDPSA-N 260.356 3.555 30 20 CHED CC(C)Oc1cccc(CNCC(C)(C)CCC#N)c1 343567478 LYOLCQFRTURNIQ-UHFFFAOYSA-N 274.408 3.893 30 20 CHED Cc1csc(NC(=O)CSCCC(C)C)c1C#N 344931049 RIJGNYBEPWFUTF-UHFFFAOYSA-N 282.434 3.646 30 20 CHED CC(C)[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)c2ccccc21 600764035 WAHVGCVSERBMEZ-JLSDUUJJSA-N 281.403 3.904 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cccc(Cl)c1Cl 538198742 STCWYUMHVWJKQT-QWRGUYRKSA-N 288.218 3.829 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(-n2cccc2)c1 341956982 ZUACEAMYGGULJW-UHFFFAOYSA-N 269.348 3.517 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 539418814 MNVHKQXYDBNHAJ-BFHYXJOUSA-N 258.365 3.600 30 20 CHED Cc1ccc(C(C)(C)CN(C)[C@H]2CC[C@@H](C#N)C2)cc1 438985874 ORQDBEAGXIWOIO-WBVHZDCISA-N 270.420 3.897 30 20 CHED CCc1ccc([C@H]2CCN(c3nc(C)ccc3C#N)C2)cc1 431509621 VYLWRCBSPWRGJI-SFHVURJKSA-N 291.398 3.818 30 20 CHED CS[C@@H](C)CCC(=O)N(CC#N)c1ccc(F)cc1C 602387404 RCWKBMJZIPYSFP-LBPRGKRZSA-N 294.395 3.522 30 20 CHED CCC(CC)n1ccc(CSCC2(C#N)CC2)n1 344481343 HVURRCOXFHHOAK-UHFFFAOYSA-N 263.410 3.781 30 20 CHED CC(C)c1cnc(SCCc2ccc(C#N)cc2)[nH]1 600583871 GYDZVVSBWOTACL-UHFFFAOYSA-N 271.389 3.740 30 20 CHED O=C(/C=C\c1ccc(O)cc1)c1cc(F)cc(F)c1 255393880 AMAFPJBNGFHOJG-UTCJRWHESA-N 260.239 3.567 30 20 CHED CCc1ccc(CN(C)C(=O)c2ccccc2CC#N)cc1 600940047 OMZMITRSQXYYNX-UHFFFAOYSA-N 292.382 3.587 30 20 CHED N#Cc1cc(N2CCC[C@@H]2c2cccs2)nc(C2CC2)n1 601100264 JPIAOHHJAYFFEY-CYBMUJFWSA-N 296.399 3.629 30 20 CHED CCCCCc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1 448578621 AUKHVAQSWBJMTM-GUYCJALGSA-N 270.376 3.908 30 20 CHED CCSc1cccc(-c2noc(CCCC#N)n2)c1 350537399 HVONQJYPQKPJHW-UHFFFAOYSA-N 273.361 3.695 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 448947191 VIIAKPJPWLGNGO-ZIFCJYIRSA-N 298.430 3.844 30 20 CHED N#CCC1(CN2CCn3cccc3[C@@H]2c2ccccc2)CC1 602780845 AHZSLIHUGXMYCO-SFHVURJKSA-N 291.398 3.587 30 20 CHED C=C(C)CCNCc1ccc(OCC(F)(F)F)c(F)c1 449480403 YIIXEDBWUIXBRU-UHFFFAOYSA-N 291.288 3.823 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 448559730 XKBRNRCFESDADK-SKDRFNHKSA-N 286.158 3.523 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](CC)c1ccccc1 353174107 OPSKUIIJUHPYME-HUUCEWRRSA-N 260.381 3.792 30 20 CHED CC[C@H](CC#N)NCc1ccccc1OCC(C)C 449244465 SQWCSKQENZUEFZ-OAHLLOKOSA-N 260.381 3.503 30 20 CHED CC(C)[C@@H]1N(Cc2ccc(C#N)o2)CC12CCCC2 449791601 POFYBAUOZWZRPV-HNNXBMFYSA-N 258.365 3.552 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCc2cc(C#N)cs2)o1 539458542 KMCQYRQWIGGOIC-QMTHXVAHSA-N 272.373 3.626 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 448860839 QQCINKNIOXBNDA-AAEUAGOBSA-N 297.320 3.890 30 20 CHED CCCCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cn1 446803214 JWZAVCMDJCIVOV-KBPBESRZSA-N 273.380 3.755 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(SC)nc1 538296037 RGOFCMIKAUVIMP-UHFFFAOYSA-N 294.420 3.505 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCOc2ccccc2C1 614160679 WHDFWTFFJUHWRS-UHFFFAOYSA-N 298.773 3.606 30 20 CHED CC(C)(C#N)CCN1CC[C@@H](Oc2cccc(Cl)c2)C1 538468164 VSJOYTCCSIGNOK-OAHLLOKOSA-N 292.810 3.733 30 20 CHED N#Cc1ccc(CNCc2ncc(Cl)s2)cc1Cl 619749073 ZUQWIKIJGXNFFO-UHFFFAOYSA-N 298.198 3.611 30 20 CHED CCC1(C)CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 353562893 SKXXGQXEJIIURJ-UHFFFAOYSA-N 289.354 3.741 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCOC3(CCC3)C2)n1 613429135 GWBKGFKZCMPHJV-AWEZNQCLSA-N 299.418 3.764 30 20 CHED Cc1ccc(F)c(-c2noc(-c3cccc(C#N)c3)n2)c1 445452670 SMSWERDSUMHISK-UHFFFAOYSA-N 279.274 3.723 30 20 CHED Cc1cc(Cl)c(NCc2cc(C#N)n(C)c2)cc1C 449410987 DKVLDILDTLAEIN-UHFFFAOYSA-N 273.767 3.779 30 20 CHED COC(=O)c1cc(C)ccc1OCc1ccc(C#N)cc1C 614392227 IIQLKQBELOGYBY-UHFFFAOYSA-N 295.338 3.541 30 20 CHED N#CCCCC(=O)Nc1cccc(C#Cc2ccccc2)c1 359901758 AAKBGYCGRPCRNN-UHFFFAOYSA-N 288.350 3.719 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc2[nH]ccc12 618742737 QXGAULUKABWALV-LJQANCHMSA-N 287.366 3.817 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1cccc(C(C)C)c1)C1CC1 537929582 RUHGKNMNEPIVLC-AWEZNQCLSA-N 287.403 3.754 30 20 CHED C[C@H](CC(=O)NCC#Cc1ccccc1)CC(C)(C)C 613350558 AVUYVTKSMBUBNG-OAHLLOKOSA-N 271.404 3.617 30 20 CHED CC#CCN(C)C(=O)N[C@@H](C)c1ccc(SCC)cc1 458327268 VOSIVACYBNXQIE-ZDUSSCGKSA-N 290.432 3.524 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(Cl)cc1F 454195277 LIMIHBJIOZOGND-UHFFFAOYSA-N 256.708 3.567 30 20 CHED C=CCC1(C(=O)NCC[C@@H]2CCO[C@H](C)C2)CCCCC1 450555804 NJHBCXWWCKFEHG-HZPDHXFCSA-N 293.451 3.834 30 20 CHED Cc1cccnc1[C@H]1CCC[C@H](NCC2(CC#N)CC2)C1 366967580 YOEVVUDGMUUBHV-HOTGVXAUSA-N 283.419 3.700 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1cccnc1 369754086 INDKEZVUMOJOOT-GOEBONIOSA-N 287.407 3.673 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](CCC)c2ccccn2)C1 617780556 XEMJTKRSFVKPMQ-CVEARBPZSA-N 286.419 3.780 30 20 CHED CCC[C@H](NC(=O)NCC1(CC#N)CC1)c1ccccc1 362359831 PLBAPLKYGMTPPX-HNNXBMFYSA-N 285.391 3.521 30 20 CHED C[C@@H](C#N)CNC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 542878546 XFYWPEORJKARQG-ZFWWWQNUSA-N 287.407 3.623 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(C(F)F)cc2)C1 613130267 LHQIHHIPZXDISJ-OAHLLOKOSA-N 264.319 3.750 30 20 CHED CC(C)[C@]1(C)C[C@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 458115234 IADRNVHJQDPHBD-NUJGCVRESA-N 284.403 3.625 30 20 CHED C#CCCCSc1nnc(C[C@@H](C)c2ccccc2)o1 270903056 VFFMZYJFKKDQMI-CYBMUJFWSA-N 286.400 3.921 30 20 CHED COc1cccc([C@@H]2CCCN2c2nccc(C)c2C#N)c1 273339283 NJUDQHTYEHJINU-KRWDZBQOSA-N 293.370 3.612 30 20 CHED C=CC[C@@H]1N(C(=O)c2cnn(CCC)c2)CCCC1(C)C 278529220 ZYJFXMRRWFEJSM-HNNXBMFYSA-N 289.423 3.500 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCCC[C@@H]1SCC 543253864 TUUFHAKZJKKFEX-MJBXVCDLSA-N 284.469 3.705 30 20 CHED C=CC(C)(C)CNC(=O)N(CC)Cc1c(F)cccc1F 455365642 KRZPBTHNTSCDEN-UHFFFAOYSA-N 296.361 3.709 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2ccccc2c1 451605325 JOYHAALTRSCLGB-VHSSKADRSA-N 267.372 3.834 30 20 CHED N#CCC[C@@H](NC(=O)CC1CC(F)(F)C1)c1ccccc1 450189655 AGJXUBXOFUUAJI-CQSZACIVSA-N 292.329 3.583 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(CC#N)cc1 270331715 NKCIMJWZKFQPPZ-UHFFFAOYSA-N 270.376 3.571 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(C)ccc1C)OCC 270130838 OUQFGMIKDIHSEM-HNNXBMFYSA-N 261.365 3.613 30 20 CHED C=CCN(C(=O)c1ccc2ncsc2c1)C(C)(C)C 622942985 JHTWFYMZGMZYHQ-UHFFFAOYSA-N 274.389 3.723 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccccc1-c1nnc(C)o1 364082866 RPHGAZSUFMREOO-NSHDSACASA-N 285.347 3.586 30 20 CHED CC(C)CCCS[C@@H](C)C(=O)NC1(C#N)CCCCC1 540715387 LFOUWDDJEGATEY-AWEZNQCLSA-N 296.480 3.887 30 20 CHED CC(C)COC[C@@H](NCCC(C)(C)C#N)c1ccco1 273495681 LOJFJOVOSRTBEG-CQSZACIVSA-N 278.396 3.523 30 20 CHED CN(Cc1ccccc1OC(F)(F)F)[C@@H]1CC[C@H](C#N)C1 278534064 FNAHFPIWEAILRY-WCQYABFASA-N 298.308 3.709 30 20 CHED C[C@H](NC(=O)N1C[C@H](C)CCC[C@H]1C)c1ccc(C#N)cc1 465655619 INPPIWCQVWNPCR-KFWWJZLASA-N 299.418 3.839 30 20 CHED Cc1ccc2[nH]c(CN3CCC(CC#N)CC3)cc2c1C 547449035 PXKFDYKOWORQIL-UHFFFAOYSA-N 281.403 3.910 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(N2CCCC2)c1 282161471 DJTBTPGMFXROLL-ZOBUZTSGSA-N 283.419 3.630 30 20 CHED C=CC[C@H](CC)NC(=O)c1ncoc1-c1ccc(C)cc1 466538915 FFVBHGOOIUPUIN-AWEZNQCLSA-N 284.359 3.735 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(CC#N)cc1 283683299 SSYYIBVHRITMMT-CQSZACIVSA-N 284.403 3.793 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)C1CCC(F)(F)CC1 467447335 SDWYYXHNWJJUHL-CYBMUJFWSA-N 292.373 3.904 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 285824502 NWRKUAITQQVYNZ-LJQANCHMSA-N 296.414 3.859 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H]1SCCc2ccccc21 467970558 QIRQKGFRHNLDRX-WBVHZDCISA-N 289.444 3.736 30 20 CHED Cc1ccccc1C1CC(NCc2ccc(C#N)s2)C1 553855920 JLCMSKPYMNSNDD-UHFFFAOYSA-N 282.412 3.964 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cnn(Cc2ccc(OC)cc2)c1 556610226 DOCXWPFHVWXRBT-LSDHHAIUSA-N 299.418 3.953 30 20 CHED C=Cc1ccc(CCNc2ccc(C#N)c([N+](=O)[O-])c2)cc1 461868466 UOQBGWHZFARQIQ-UHFFFAOYSA-N 293.326 3.764 30 20 CHED C=CC[C@@H](CC)NC(=O)CCSc1ccccc1 466542286 UWZGODQTFDQTHB-CYBMUJFWSA-N 263.406 3.640 30 20 CHED CS[C@H](C)CCC(=O)N(CCC#N)c1ccc(F)cc1 552947679 HUAXTYUZRVPCEE-GFCCVEGCSA-N 294.395 3.604 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 639942759 XZDZMTAXBGGPMY-UHFFFAOYSA-N 299.296 3.530 30 20 CHED C[C@H]1CC(=NNCc2ccc(C#N)cc2)c2ccccc21 807978584 XHFXHENPRZWKHS-ZDUSSCGKSA-N 275.355 3.559 30 20 CHED N#Cc1cc(NC(=O)C=C2CCCCC2)nc2ccccc12 809072681 SGLGKYATEOETOU-UHFFFAOYSA-N 291.354 3.935 30 20 CHED C=CCCCN1CCc2cc(OC)c(Cl)cc2C1 559450114 LZKHHBFXVQJGPC-UHFFFAOYSA-N 265.784 3.673 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)CCc1ccc(C#N)cc1 554100504 CPGBJEXVMYFGCU-UHFFFAOYSA-N 286.419 3.679 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](C)c1ccccc1Cl 809936013 VDENOXFYTXUEEG-ZDUSSCGKSA-N 297.785 3.741 30 20 CHED C=CCCC1(C(=O)N2CCc3ccc(Cl)cc32)CC1 475390118 OAIHHCIPIKQQRE-UHFFFAOYSA-N 275.779 3.976 30 20 CHED C#CCCc1noc(-c2ccccc2CC(C)C)n1 809396779 QFMSWPSJERWPHP-UHFFFAOYSA-N 254.333 3.501 30 20 CHED Cc1nc(NCC2(C#N)CC2)c2c3c(sc2n1)CCCC3 562322384 JBEPNAZNXHYITK-UHFFFAOYSA-N 298.415 3.594 30 20 CHED C=CCCCC(=O)Nc1nnc(CC2CCCCC2)s1 479647057 WRLIDHJUYNORMD-UHFFFAOYSA-N 293.436 3.956 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1cccc(C2CC2)c1 297098542 GFUBOBAUKVTDCE-CYBMUJFWSA-N 272.392 3.843 30 20 CHED N#CCCCC(=O)N1Cc2ccccc2-c2ccccc2C1 291061003 BVHMPBGESQLZOV-UHFFFAOYSA-N 290.366 3.890 30 20 CHED C[C@@H]1CC/C(=C\C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 803315349 BRQUKYBQDBJZTG-GMCKNXKJSA-N 295.386 3.817 30 20 CHED CC(C)CC1(CNc2c(C#N)nnc3ccccc23)CC1 391899094 CWUNNKFBWGPBIX-UHFFFAOYSA-N 280.375 3.740 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 562925617 QCODFGAIDZQMLS-DKIMLUQUSA-N 296.414 3.708 30 20 CHED C=C(CNC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 806088908 GVEXZGMPTOBLHO-UHFFFAOYSA-N 295.386 3.588 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccc(OCC2CC2)c(F)c1 298869931 JMESKZBZKOUIIK-OLZOCXBDSA-N 290.382 3.957 30 20 CHED CCn1cc(/C=C/C(=O)c2c(F)cccc2Cl)cn1 809159837 XNTUAEBXAWFMRZ-VOTSOKGWSA-N 278.714 3.592 30 20 CHED C#Cc1cncc(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)c1 806425105 AUCVOGHFQXYCGO-OAHLLOKOSA-N 292.382 3.513 30 20 CHED CC1(C)CN([C@@H]2CC[C@H](C#N)C2)[C@H]1c1cccs1 293668379 UPUQHJCZYYBVHH-SCRDCRAPSA-N 260.406 3.823 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CC[C@H](C#N)C1)CC3 569898970 HOPHZRCKIBFZPV-SOUVJXGZSA-N 293.414 3.616 30 20 CHED CC[C@H](CNCCC#N)Cc1cccc(Br)c1 566555973 CINHMXCJTKBYDW-LBPRGKRZSA-N 295.224 3.521 30 20 CHED CC(C)OCCON=Cc1ccc(Oc2ccccc2)o1 812240397 OBYFXRGNPHIPBT-UHFFFAOYSA-N 289.331 3.847 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(O)c(F)c1 812241250 FTZFYAKEDKSYAP-HYXAFXHYSA-N 290.265 3.575 30 20 CHED C=CCC(C)(C)CNc1cnn(C(C)(C)C)c(=O)c1Cl 644942255 ABMIAUIRUIVYJF-UHFFFAOYSA-N 297.830 3.666 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cccc3cc[nH]c23)c1 814694387 IFJQUOKBSHECGG-UHFFFAOYSA-N 280.287 3.522 30 20 CHED COc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1Cl 569418931 SAZKHOHYVXIUSL-LLVKDONJSA-N 278.783 3.693 30 20 CHED C[C@H]1CC(=NOC2CCC2)CCN1Cc1ccccc1 812235763 QDFQMRLMUJGAGL-AWEZNQCLSA-N 272.392 3.596 30 20 CHED CC1(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)CCCC1 813212464 CGELIXFQPDKILF-LLVKDONJSA-N 296.292 3.857 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC(C)(C)C3)c2c1 488048308 JQUZUXMVRFCPRI-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=CC[C@H]1CCCC[C@H]1Nc1cnn(CC(F)F)c1 657950900 WFZQLJJETZEDJH-WCQYABFASA-N 269.339 3.695 30 20 CHED CC(C)(C)OC(=O)NCC1(C=NOC2CCCC2)CCC1 814894136 JTGRMOGSGFMSSG-UHFFFAOYSA-N 296.411 3.626 30 20 CHED CC(=O)c1cc(C(=O)OCCCCC(C)(C)C#N)cs1 815278304 JATVNSUSPOBMCD-UHFFFAOYSA-N 293.388 3.828 30 20 CHED C#Cc1ccccc1Cc1nc([C@@H](C)C(C)(C)C)no1 810297029 FCNDWMSWZFOGFY-GFCCVEGCSA-N 268.360 3.791 30 20 CHED Cc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)s1 811696552 UKNMTQSDTYOSEU-MDWZMJQESA-N 265.337 3.751 30 20 CHED FC(F)Oc1ccc(NN=C2CC3(CC3)C2)cc1 814828559 IUXKULANTFOKRW-UHFFFAOYSA-N 252.264 3.630 30 20 CHED C=CCC(F)(F)C(=O)NC1(c2ccc(F)cc2)CCCC1 815320793 FRPKPERANCGNDK-UHFFFAOYSA-N 297.320 3.923 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1O[C@H](C)C#N 819479271 DQKTVSHREABRMF-BFHYXJOUSA-N 286.375 3.742 30 20 CHED Cc1cc(C)c([C@H](C)OC(=O)CCCC#N)c(C)c1 812615096 BSOUIRJWJUWQIS-AWEZNQCLSA-N 259.349 3.910 30 20 CHED CSCc1cnc(C=NN[C@@H](C)c2ccccc2)s1 814814915 FLWSACAWABOWSG-NSHDSACASA-N 291.445 3.691 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C2CCC2)C2CCC2)cc1 814177830 QGSIOHKTCJDMAL-AWEZNQCLSA-N 284.403 3.884 30 20 CHED C=CC[C@H](C)C(C)=NNc1oc(C(C)(C)C)nc1C#N 727779049 XBHJAQBXSBCTKS-JTQLQIEISA-N 274.368 3.844 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2(C)CCCCC2)cc1 573642485 NUUXLJASAALTOQ-INIZCTEOSA-N 284.403 3.900 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 488488785 RYQWNVUZROBBNJ-AVGNSLFASA-N 264.417 3.714 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCc2c(C#N)cccc21 578876827 SCZREDWTTQCUET-ZIAGYGMSSA-N 282.387 3.664 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(C#N)s1 487038919 MBBULPGXQFYDHD-NWDGAFQWSA-N 276.405 3.566 30 20 CHED C=C[C@H](CO)N[C@H](C)c1ccc(SC2CCCC2)cc1 658334816 FFTUIWPTOKLJDP-UKRRQHHQSA-N 291.460 3.919 30 20 CHED C=C(C)C(C)(C)C(=O)OCC(=O)C1CCC(F)(F)CC1 821448126 OUZHJRJYWCWKBN-UHFFFAOYSA-N 288.334 3.527 30 20 CHED C[C@](C#N)(NC(=O)[C@H]1CC[C@H](C)CC1)C1CCCCC1 579479349 WLDMECORWHQKID-CKEIUWERSA-N 276.424 3.791 30 20 CHED CCCC[C@H]1CCCC1=NNc1cc(C)nc(C)n1 727255972 UHPATRRMMKVRET-ZDUSSCGKSA-N 260.385 3.852 30 20 CHED CCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1F 495076886 CAMSYKFLRAEATQ-UHFFFAOYSA-N 298.361 3.728 30 20 CHED Cc1cccc2c1CC[C@@H]2/N=C/c1cccc(O)c1O 729641450 IOBNPMFITFOHKX-ZNBBLSJYSA-N 267.328 3.513 30 20 CHED C=CCCCC[C@@H](C)NC[C@@](C)(O)c1ccccc1 823875489 CEJUKLSHLHOOLU-NVXWUHKLSA-N 261.409 3.619 30 20 CHED CC#CCCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 498601792 IXKFNFFAEJEVJH-UHFFFAOYSA-N 297.398 3.937 30 20 CHED Cc1c(C(=O)NC[C@H](C)C2CC2)sc2ccc(C#N)cc12 589982060 ZLOQPDSNICEDKT-JTQLQIEISA-N 298.411 3.857 30 20 CHED CCCCC[C@@H](C)NC(=O)CC1(C#N)CCCCC1 820925452 YBOBRFURRHBBTB-CQSZACIVSA-N 264.413 3.936 30 20 CHED C=CCC1(NC(=O)Nc2ccc(Cl)cc2)CCOCC1 665129407 UAABYQRULSDYNV-UHFFFAOYSA-N 294.782 3.587 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1nc(C)cs1 663950171 IHLSQNOTHMGAAZ-LLVKDONJSA-N 281.425 3.557 30 20 CHED C=CCN(C(=O)Nc1c(C)cccc1Cl)[C@H](C)COC 666730959 MSBHXUZWIRZSTL-GFCCVEGCSA-N 296.798 3.703 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 491615039 AJOICMOSDOKHMN-UHFFFAOYSA-N 293.370 3.544 30 20 CHED Cc1cc(C)c(C(=O)N(c2ccccc2C#N)C2CCC2)o1 826797135 BVVCWMOYUUOIED-UHFFFAOYSA-N 294.354 3.967 30 20 CHED CN(Cc1ccc(CC#N)cc1)Cc1cccc2[nH]ccc12 494080353 RHDKAWHCVFWHQB-UHFFFAOYSA-N 289.382 3.866 30 20 CHED C=CC[C@@H](NC(=O)/C=C\c1ccsc1)c1ccncc1 734235428 HZJKUGYYBCRUTM-FOSCPCJNSA-N 284.384 3.590 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)C=C1CCCCC1 732104216 HUPYPQZFLHEYTB-LJQANCHMSA-N 296.414 3.908 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(Cl)c(C)cc1Cl 491538402 YXWGFMGAFGPXPC-SECBINFHSA-N 285.174 3.787 30 20 CHED C=CCCNC(=O)NC(C)(C)c1cccc(Cl)c1F 665944444 PIOXZRRYTIZARV-UHFFFAOYSA-N 284.762 3.590 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2CC)cc1 583406277 XYIGODHSVBYKLW-GOSISDBHSA-N 292.382 3.806 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2Cl)C1(C)C 736427723 CMOOCMDCILAAAK-CYBMUJFWSA-N 266.772 3.943 30 20 CHED C=CCN(CC=C)C(=O)Nc1nc(C(C)C)c(C)s1 667373197 IJUVCNWIDYVZGQ-UHFFFAOYSA-N 279.409 3.781 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(F)c(C)c2)c1 588476523 QCVLDSAKEPXDNS-XQRVVYSFSA-N 255.292 3.734 30 20 CHED CCSCCC=NNc1cc(C(F)(F)F)ccn1 834983467 ADOXNKOTGXTGAW-UHFFFAOYSA-N 277.315 3.641 30 20 CHED C[C@H](CC(C)(C)C)OC(=O)Cc1ccccc1CC#N 835706069 ZUXUYNKZMKOAMH-CYBMUJFWSA-N 273.376 3.663 30 20 CHED C=CCCCCNC(=O)NCC[C@@]1(C)CC1(Cl)Cl 836401550 DRDXMMRYZXPYIK-LBPRGKRZSA-N 293.238 3.616 30 20 CHED Cc1cc(C#N)ccc1OC(=O)O[C@@H](C)CC(C)C 830334621 MLEQOBXYGHAKQH-LBPRGKRZSA-N 261.321 3.817 30 20 CHED CCc1cc(O)nc(SCCCCC2(C#N)CCC2)n1 901537224 MIZDLZAIQKPOLL-UHFFFAOYSA-N 291.420 3.701 30 20 CHED CC(C)(C#N)CCN1CCC(CC(F)(F)F)CC1 585755921 WZUQQKOJOKQOAZ-UHFFFAOYSA-N 262.319 3.591 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ccc(F)cc1C#N)CO2 589585553 MKIVVBCRIWWZHW-HNNXBMFYSA-N 268.291 3.551 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CSC2CC2)s1 835387857 MCZCKMMCIBVLTK-JTQLQIEISA-N 294.445 3.512 30 20 CHED C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)[C@H](C)C1 733114729 QGLMNYZMVADTIY-SKQLWMKHSA-N 282.387 3.512 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(C2CCCCCC2)no1 903352592 DSRCSDPRQPPJGJ-KBPBESRZSA-N 276.380 3.956 30 20 CHED CS/C=C/C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 836818852 LZLQIHDEQGGWKH-BQYQJAHWSA-N 290.388 3.551 30 20 CHED COC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 732116199 CHPHSHZDWBYLGU-UHFFFAOYSA-N 298.317 3.779 30 20 CHED C#Cc1cccc(N(CC)C(=O)CO[C@@H]2CCC[C@@H](C)C2)c1 732936288 JQZKPIXVZBBYPY-CRAIPNDOSA-N 299.414 3.616 30 20 CHED FC(F)(F)c1cccc(NN=Cc2ccncc2)c1 916260367 XTYXPFQTTCLCQB-UHFFFAOYSA-N 265.238 3.546 30 20 CHED C#CCCCCNC(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 838517875 XSMPXZXLMCDIPO-SOLBZPMBSA-N 298.430 3.766 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2cccc(C(=O)O)c2)o1 732761498 GXCBILAHVZSKQN-IINYFYTJSA-N 284.315 3.547 30 20 CHED Oc1nc2ccccc2cc1C=NNc1ccc(F)cc1 916268202 QACSTPZGYQKIGK-UHFFFAOYSA-N 281.290 3.526 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1CCc2c(C)cccc21 596113642 UXSYDILWGQBQAA-MRXNPFEDSA-N 263.344 3.670 30 20 CHED C[C@H](NCCCc1ccco1)c1ccc(C#N)c(F)c1 595094541 XFXSNTKCKWFHMO-LBPRGKRZSA-N 272.323 3.574 30 20 CHED C[C@@H](CC(=O)N1CCC[C@@H](CC#N)C1)C1CCCCC1 597912265 UFENCBSVSUSDRQ-GJZGRUSLSA-N 276.424 3.745 30 20 CHED C#CCCCCC(=O)N1CCCc2c(F)c(F)cc(F)c21 841348112 PKVVUAKKMVKWTD-UHFFFAOYSA-N 295.304 3.577 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccc(Cl)s1 748921343 DKJTUTPOCVURRS-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C=CCCCC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 748240472 PLUWBNJINVBXSO-UHFFFAOYSA-N 283.711 3.648 30 20 CHED N#Cc1ccsc1C(=O)N1CC[C@H](C2CCCCC2)C1 598151420 YDMPVYUVGPWGCH-AWEZNQCLSA-N 288.416 3.662 30 20 CHED Cc1c(NN=C2CC[C@@H]2C(C)C)cccc1C(=O)O 844623678 QCRHOPUXMUYNLZ-LLVKDONJSA-N 260.337 3.527 30 20 CHED CC/C(C)=C\C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842943099 PQDPEOFLSSSEKJ-DHHDDZJSSA-N 260.362 3.553 30 20 CHED C#C[C@H](NC(=O)c1ccc(C(F)F)cc1F)C(C)(C)C 847076692 GQVNNWFRFBTPDU-LBPRGKRZSA-N 283.293 3.541 30 20 CHED N#CC1CCN(C(=O)Nc2ccc3c(c2)CCCCC3)CC1 844798232 GTNOZVJSPRLOAT-UHFFFAOYSA-N 297.402 3.723 30 20 CHED CC[C@@H]1CCCN1Cc1ccc(-c2ccc(C#N)nc2)cc1 592986365 GUEXBANNEMBKQG-LJQANCHMSA-N 291.398 3.995 30 20 CHED C#CCOC(=O)c1ccccc1Sc1ccccc1 744039905 DRQPOCBQCUAYCZ-UHFFFAOYSA-N 268.337 3.628 30 20 CHED Cc1cc(C=NNC2CCCC2)ccc1Br 746371023 TWKSTMJCRSKHFY-UHFFFAOYSA-N 281.197 3.624 30 20 CHED C=CCCCCNC(=O)c1snc(Cl)c1Cl 845950315 IHJGJBYOQYHNQN-UHFFFAOYSA-N 279.192 3.536 30 20 CHED Clc1ccc2c(c1)CC(=NNc1ccc(Cl)nc1)C2 743450601 NUEYPEYMCGSEEW-UHFFFAOYSA-N 292.169 3.955 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCCc1ccco1 595092968 BZCJIOFHBFROEJ-SFHVURJKSA-N 280.371 3.751 30 20 CHED CCCCCCCCOC(=O)[C@H]1CCCCN1C(=O)CC 919478848 YCXGCFRAINZFLX-OAHLLOKOSA-N 297.439 3.681 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](OC2CCC2)C1 594026130 DHRRWUWPHSJEOM-KBXCAEBGSA-N 284.403 3.653 30 20 CHED Cc1cc(C)cc(CC(=O)N(CCC#N)CCC(C)C)c1 597144774 NLXXVYYJUKJJOB-UHFFFAOYSA-N 286.419 3.634 30 20 CHED COCCOc1cccc(-c2ccc([C@H](C#N)OC)cc2)c1 844228871 NXXVPNYEKVKRIE-SFHVURJKSA-N 297.354 3.590 30 20 CHED COc1cc(F)ccc1NN=C(C)CCCCC#N 841635255 HYNVJSYOHVOTGU-UHFFFAOYSA-N 263.316 3.706 30 20 CHED CCCC(C)(C)C(=O)OC[C@H](C#N)Cc1cccs1 845503293 QYMXSNXCNJIHNY-LBPRGKRZSA-N 279.405 3.800 30 20 CHED N#CC1(CCOC(=O)C2(F)CCCC2)CCCCC1 840461773 FPYLWWIAMGQSCP-UHFFFAOYSA-N 267.344 3.676 30 20 CHED N#CC[C@@H]1CCCN(Cc2ncc(Cl)cc2Cl)C1 595621072 SCDGNAAYDVLCSD-JTQLQIEISA-N 284.190 3.514 30 20 CHED C[C@@H]1CN([C@H](C#N)c2ccccc2)Cc2ccccc2O1 595508440 ADUCVFDXJSBTPK-RHSMWYFYSA-N 278.355 3.534 30 20 CHED N#CC1(CC(=O)OCc2ccc3c(c2)COC3)CCCCC1 849906971 NEDRCGDRWQRNDI-UHFFFAOYSA-N 299.370 3.624 30 20 CHED C=C(Cl)CN[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 846152954 DBOTVIRKXALUQN-LBPRGKRZSA-N 299.798 3.506 30 20 CHED COc1ccc(C)cc1C(C)=NNCc1ccccc1 744755069 HKWNBSBWNCXHFZ-UHFFFAOYSA-N 268.360 3.517 30 20 CHED CC#CCCCC(=O)NCCCc1ccc(C)cc1C 680993299 BLJJTWMEURWSML-UHFFFAOYSA-N 271.404 3.546 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)CCC1 682905142 XJJMMLPDYOXGDG-WBVHZDCISA-N 269.388 3.579 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc(F)c(F)c2)c1 920376908 ZGYKTYDBEJAVSG-UHFFFAOYSA-N 268.213 3.689 30 20 CHED CCCCCCCCC(=O)OCc1cc(C)nc(C)n1 754499324 HOLXYXQPEQNRBB-UHFFFAOYSA-N 278.396 3.887 30 20 CHED C=C(C)CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl 681743515 BDJMEMZXYJGLGI-VIFPVBQESA-N 272.175 3.789 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CC[C@H]1CC1(Cl)Cl 851202897 MXXMPZOHNCJFTR-UWVGGRQHSA-N 292.206 3.832 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(OCC#N)c1 920438777 ZZWNDEONMXUYJQ-KGLIPLIRSA-N 286.375 3.744 30 20 CHED C#Cc1cncc(C(=O)N(C)C2CC(C)(C)CC(C)(C)C2)c1 855569261 USHWXDUWAAOEQS-UHFFFAOYSA-N 298.430 3.740 30 20 CHED Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(C)(C)C#N 753612897 JRPPRDKSWIFQMN-LBPRGKRZSA-N 298.342 3.745 30 20 CHED CCCn1nccc1/C=C1\CCc2sccc2C1=O 853006641 WNAWFVWCKQYZNH-ZHACJKMWSA-N 272.373 3.567 30 20 CHED CC[C@@H](C#N)OC(=O)c1oc2ccccc2c1CSC 753422506 PNPYRCSIIBFSFG-JTQLQIEISA-N 289.356 3.755 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@H]1CC[C@H](C)C1 759219752 SFXRAMQHGSXMMW-STQMWFEESA-N 289.350 3.603 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C1/CC[C@H](C)C1 753610393 MNALLZDBILAFAM-UZFBZYOGSA-N 262.397 3.521 30 20 CHED COCCCC(C)=NNc1ccccc1Br 759193740 QDXAIVPUMHXMFO-UHFFFAOYSA-N 285.185 3.664 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(C)cc2F)c1 920943087 MYAXKBMSVFQGTM-UHFFFAOYSA-N 273.307 3.989 30 20 CHED CO[C@@H](C=NNc1ccc(F)cc1C)C1CCCC1 853325321 TWWTUILNLNNXRK-HNNXBMFYSA-N 264.344 3.737 30 20 CHED C=C[C@H](CC)CC(=O)N1Cc2ccc(OC)cc2C2(CC2)C1 936051356 QJTSPWMPUZYLJU-CQSZACIVSA-N 299.414 3.671 30 20 CHED C[C@@H](CC(=O)OCc1cccc(C#N)c1F)c1ccco1 859813281 JIBNQUGBGKXOOV-NSHDSACASA-N 287.290 3.527 30 20 CHED CC(Cn1nc(C)cc1C)=NOCCCc1ccccc1 755943259 GZYFMVBJTDLWDN-UHFFFAOYSA-N 285.391 3.525 30 20 CHED C#CC[C@@H](NC(=O)N(C)[C@H](C)C1(C)CC1)c1ccccc1 757761850 OVSNCUMOALXEIV-GDBMZVCRSA-N 284.403 3.581 30 20 CHED Cc1cccc(F)c1CNc1cc(C#N)ccc1[N+](=O)[O-] 767195634 OFHIQBYIVMPNQA-UHFFFAOYSA-N 285.278 3.526 30 20 CHED O=C(C#Cc1ccccc1)N1CCCC[C@H]1c1ccccc1 762523672 MBUBGZUPIPWRPU-IBGZPJMESA-N 289.378 3.792 30 20 CHED CCCCCCCNC(=O)c1ccccc1[S@](=O)CC 862359252 GQKJIPFVSOYTPD-HXUWFJFHSA-N 295.448 3.514 30 20 CHED C[C@@H]1CC2(CCOCC2)CN1CCCCC1(C#N)CCC1 930823936 ZKLMKJCLQYCNMZ-MRXNPFEDSA-N 290.451 3.742 30 20 CHED CC[C@H](C)c1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1 763908352 KFLDCCWKVGRXGF-ZDUSSCGKSA-N 293.370 3.913 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](c1ncccc1C)C(C)C 932900929 XUAYYYHKUXJEAK-HOCLYGCPSA-N 274.408 3.806 30 20 CHED CCO[C@@H]1CCCC1=NNc1nccc2sccc12 766450557 ODKMIGLTUMNPSB-GFCCVEGCSA-N 275.377 3.653 30 20 CHED FC(F)C1CC(=NNc2nc3ccccc3[nH]c2=S)C1 863128347 LBFBPGCYDVTHQO-UHFFFAOYSA-N 294.330 3.735 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1SCC#N 860028786 UYRWRISIKNDEFO-OCCSQVGLSA-N 288.416 3.611 30 20 CHED C#CCCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 766905247 IORSSYZEKHHWSU-AWEZNQCLSA-N 288.460 3.615 30 20 CHED C=CC[C@H](NC(=O)c1cccc(C)c1F)c1ccncc1 760545107 IYDJNJZLROHLOM-HNNXBMFYSA-N 284.334 3.576 30 20 CHED CC(=NNCc1ccccc1Cl)c1sccc1O 769779760 IQFDECZXWHUCMT-UHFFFAOYSA-N 280.780 3.621 30 20 CHED C[C@H](C#N)OC(=O)c1ccccc1SCc1ccco1 760866961 BJKVGQZQGQGGQI-LLVKDONJSA-N 287.340 3.641 30 20 CHED Cc1nc[nH]c1C=NNc1c(Cl)cc(F)cc1Cl 767910505 JDUUQLMDHVHFTD-UHFFFAOYSA-N 287.125 3.610 30 20 CHED C#CCCCOc1cc(Cl)c(Cl)cc1C(C)=O 766116199 ANCBXRZLNVRRIK-UHFFFAOYSA-N 271.143 3.988 30 20 CHED C#CCCNc1ccc(OCc2cccc(F)c2)c(F)c1 760297885 ZLWUMNHXVOGJEB-UHFFFAOYSA-N 287.309 3.979 30 20 CHED COc1nccnc1NN=C1CCCC[C@@H]1c1ccccc1 763422832 VWFYSDGCHUFTLP-CQSZACIVSA-N 296.374 3.611 30 20 CHED CC(Cc1cccc(C)c1)=NOCc1cccnc1 872359847 RIAUVNKUUKLRRQ-UHFFFAOYSA-N 254.333 3.525 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1cc(Cl)ccn1 777906365 INCMSBUWICLNCL-NSHDSACASA-N 251.761 3.959 30 20 CHED Cc1cc(C)c(CC(=O)Oc2ccc(C#N)cc2F)c(C)c1 774144273 AJPBGDVNQOKLRR-UHFFFAOYSA-N 297.329 3.771 30 20 CHED C=C(C)CNC(=O)c1cc2c3ccccc3n(C)c2s1 777834265 WIYRAUCZOAWTGI-UHFFFAOYSA-N 284.384 3.699 30 20 CHED C=CCNC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1115921901 HCWUIDQYPHNSOO-UHFFFAOYSA-N 257.377 3.534 30 20 CHED C=CCC1(C(=O)NCc2cccc(Cl)c2F)CCC1 1116769002 BXIXBUVXHFOCBY-UHFFFAOYSA-N 281.758 3.842 30 20 CHED CC(C)CC1CCN(C(=O)c2cccc(F)c2C#N)CC1 777809006 PIJIUWUXFWCNNP-UHFFFAOYSA-N 288.366 3.596 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cccc2ncccc12)OCC 873371815 SBCFPCOZORNHRE-QGZVFWFLSA-N 299.370 3.649 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCc1cc(C#N)ccc1F 773029587 HFWLSFQZGDUUNR-GOSISDBHSA-N 280.346 3.783 30 20 CHED CC(C)(C)CCC(=O)O[C@@H](C#N)C1CCCCC1 776385824 HPFNPCBDKQNXTB-ZDUSSCGKSA-N 251.370 3.828 30 20 CHED C=C(CC)CON=Cc1ccc(OC(C)C)c(OC)c1 773179945 BRXGPLKQMNTGRO-UHFFFAOYSA-N 277.364 3.799 30 20 CHED N#CCc1ccccc1C(=O)OCCCc1cccc(F)c1 778764550 HASZYJCIUCPMPM-UHFFFAOYSA-N 297.329 3.681 30 20 CHED C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N(CC)C(C)C 1121492858 PZXVNCBDNBHIKV-LBPRGKRZSA-N 298.381 3.602 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ncsc2-c2ccccc2)C1 1122644822 ZOFYVXLUSPXRHJ-YPMHNXCESA-N 298.367 3.659 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 888373546 LCEOTAQLGPODQP-GFCCVEGCSA-N 287.338 3.517 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C#N)ccc2F)c1 1129717786 XSIXFDAWKKONOE-LSDHHAIUSA-N 294.329 3.748 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccc(OC)c(C)c1 779900900 BYJHXJFGMIGGNV-UHFFFAOYSA-N 287.403 3.546 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 780276732 LIQONGGBLORUDK-CHWSQXEVSA-N 289.341 3.760 30 20 CHED N#Cc1ccc(NN=C2COCc3ccccc32)cc1Cl 782269330 SIGHBHNKQMCAET-UHFFFAOYSA-N 297.745 3.558 30 20 CHED Cc1cccc(F)c1CNc1ncc(Cl)c(C)c1C#N 784163009 OKKOQRBACCVTPP-UHFFFAOYSA-N 289.741 3.975 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H](CC#N)c2ccccc2)C1 1124859307 ZRJJWDGGOCQNMY-OIISXLGYSA-N 284.403 3.721 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(OC)c2ccccc2c1 887079873 BKXUMPAARQADPD-KRWDZBQOSA-N 282.343 3.727 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(N=S(C)(C)=O)cc1 880641521 QKRLSPRTLNDDBX-UHFFFAOYSA-N 294.420 3.587 30 20 CHED CC(C)[C@@H](F)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 784121596 JOSXUEMQVUVRRO-LLVKDONJSA-N 288.244 3.510 30 20 CHED N#CC1(COC(=O)c2ccc(-c3ccccc3)[nH]2)CCCC1 780534789 SZGXHXHHECPLHO-UHFFFAOYSA-N 294.354 3.922 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)COc2c(F)ccc(F)c21 783711491 DBMOFYZDMIEHHP-YFHOEESVSA-N 290.240 3.763 30 20 CHED CCCCS[C@H](C)C(=O)OCC#Cc1ccc(F)cc1 785734751 IKBHZVUAAXEIDL-CYBMUJFWSA-N 294.391 3.642 30 20 CHED CCCC(CCC)=NNc1nnc(-c2ccccn2)s1 788028635 OPVAGQJMWORGRM-UHFFFAOYSA-N 289.408 3.968 30 20 CHED CC(=NOC[C@H]1CCOC1)c1ccc(SC(C)C)cc1 788032909 YALAICZXSBOHRI-AWEZNQCLSA-N 293.432 3.964 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1ccc(C)c(F)c1 782418119 KEDMOKIKZUYPAP-CYBMUJFWSA-N 278.396 3.871 30 20 CHED Cc1cc(Cl)ccc1COC(=O)CC(C)(C)C#N 784838141 NQZFKSLENBJOJD-UHFFFAOYSA-N 265.740 3.632 30 20 CHED C#CCCCCCC(=O)Nc1cnn(CC(C)C)c1CC 780672703 IDFGAHOOSFYIHG-UHFFFAOYSA-N 289.423 3.624 30 20 CHED C=C1CCC(c2nc(-c3cccn4ccnc34)no2)CC1 896242941 AFUIAGRNAUYBBY-UHFFFAOYSA-N 280.331 3.598 30 20 CHED C#Cc1ccc(NC2CCC(c3nc(CC)no3)CC2)cc1 898504486 GDVGVQJPLLBOIV-UHFFFAOYSA-N 295.386 3.752 30 20 CHED C=C1CC(c2noc(Cc3c(C)[nH]c4ccccc34)n2)C1 896884697 PETHKTUNFCINHK-UHFFFAOYSA-N 279.343 3.884 30 20 CHED C=CCCSc1nc(C(F)(F)F)ccc1C#N 275054283 ZEVUCAMWODIING-UHFFFAOYSA-N 258.268 3.640 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(C)c1snc(C)c1C#N 891424149 LDYSWNPOVHRWOO-LBPRGKRZSA-N 293.436 3.748 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cscn2)cc1F 782351637 MPFSSYORFXCDIX-HYXAFXHYSA-N 277.320 3.577 30 20 CHED C=C1CCC(c2nc([C@H](CCC)OC)no2)CC1 896353239 WHLUORVDQUCTLQ-LBPRGKRZSA-N 250.342 3.771 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C[C@H]1CCCSC1 794896151 KEOYAYGELAOPOE-SECBINFHSA-N 299.783 3.789 30 20 CHED C=CCC[C@H](CC)Nc1cccc([S@@](C)(=O)=NC)c1 895736762 SKRVKUIIHCIPRP-ORAYPTAESA-N 280.437 3.930 30 20 CHED Cc1cc(C)cc(C2CCN(C(=O)CC(C)(C)C#N)CC2)c1 891292845 WIJMASHSHUZZFI-UHFFFAOYSA-N 298.430 3.949 30 20 CHED Cc1cc(C#N)ccc1N1CCC([C@H]2CCCCO2)CC1 894578552 VIHGMAOQUAQBRZ-GOSISDBHSA-N 284.403 3.652 30 20 CHED C=C1CC(c2noc(CCSCCCC)n2)C1 896884027 UNSUHUXWCHCCSS-UHFFFAOYSA-N 252.383 3.579 30 20 CHED C=C(C)CCc1noc(-c2csc(-c3ccccn3)n2)n1 795763920 HNCLCKMXJJQTQT-UHFFFAOYSA-N 298.371 3.764 30 20 CHED CCOCC(C)=NNc1ccc(OC)cc1C(F)(F)F 793097856 ICJDWHLMJMDNNG-UHFFFAOYSA-N 290.285 3.538 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2cccc(C#N)c2)cc1C 1202788627 VDJJIJWVPNFYJL-UHFFFAOYSA-N 293.370 3.839 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@@H]2CCC(F)(F)C2)cc1 797468069 HJRRVZPMVSNZEK-TZMCWYRMSA-N 294.345 3.502 30 20 CHED Fc1cccc(NN=C2CCC[C@H](c3cccnc3)C2)n1 795008858 QCIMGBLLTGAUPD-LBPRGKRZSA-N 284.338 3.741 30 20 CHED C=CCCCCC[C@@H](C)NCCc1c(C)noc1C 793524644 ISEKSIDVTVJYAO-CYBMUJFWSA-N 264.413 3.949 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 794342593 QZFWLIQJVMYBIK-DVQDXYAYSA-N 296.414 3.856 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@H]2CCC(F)(F)C2)cc1 797468065 HJRRVZPMVSNZEK-JSGCOSHPSA-N 294.345 3.502 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1cnn(C(C)C)c1C 793111309 FUEJALOBFCYMCO-ZDUSSCGKSA-N 264.417 3.521 30 20 CHED C#Cc1cccc(NC(=O)Cc2coc3ccccc23)c1 794946720 SOFBHSJYXDYPPJ-UHFFFAOYSA-N 275.307 3.595 30 20 CHED C#CCOc1ccccc1OCCCCC1CCOCC1 799175872 UNUMJVZHYCDHES-UHFFFAOYSA-N 288.387 3.674 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 790311316 ZZSFQDBOKQOBPS-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CC[C@@H](C)CON=Cc1c(C2CC2)nc2sccn12 793143990 AWQFQXXYHVZRNK-SNVBAGLBSA-N 277.393 3.670 30 20 CHED C#CCCCNC(=O)c1c(Cl)cccc1C(F)(F)F 712552399 DBBZKIRIZYANMD-UHFFFAOYSA-N 289.684 3.502 30 20 CHED N#Cc1cc(F)cc(OCC(=O)C2CCCCCC2)c1 565679368 ZBCLPVGMDIHGPX-UHFFFAOYSA-N 275.323 3.616 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C(C)=C(/C)CC 797159472 GWVJPVVEXVQRBT-QXMHVHEDSA-N 271.364 3.675 30 20 CHED C=C(Cl)COC(=O)c1cccc(Br)c1C 745521201 RWSPBEWQUKTGLX-UHFFFAOYSA-N 289.556 3.667 30 20 CHED C=CCCCCCN1CCC[C@H](OCC(F)(F)F)C1 574893121 LZATYDBUBXSGEH-ZDUSSCGKSA-N 279.346 3.776 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC(C)(C)C2CCC2)c1 1219116629 YHSDJJZWKBTQQA-UHFFFAOYSA-N 285.391 3.815 30 20 CHED COc1ccc(CNc2ccc(C)c(C)c2)cc1C#N 87822346 KOPKKQOSLUZDJX-UHFFFAOYSA-N 266.344 3.796 30 20 CHED N#Cc1ccsc1NC(=O)N[C@@H]1C[C@H]1C1CCCCC1 1219354492 JLKQQOQCGHCSQE-QWHCGFSZSA-N 289.404 3.710 30 20 CHED Cc1cc(N(CCc2cccc(F)c2)C2CC2)ncc1C#N 1307000997 KXVVJOVPNGAJGM-UHFFFAOYSA-N 295.361 3.612 30 20 CHED CC[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C)c(F)c1 1168489283 VYKXBQAKPLBLKC-IVMMDQJWSA-N 260.356 3.867 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)c1ccc(C#N)c(C)n1 1306999587 NYWCPDSMOWCCLT-UKRRQHHQSA-N 257.381 3.667 30 20 CHED CCC[C@@H](NC(=O)Cc1ccccc1CC#N)C(C)(C)C 1324508450 DVPQAZRQERYFKG-MRXNPFEDSA-N 286.419 3.626 30 20 CHED CC(C)N(CCc1ccccc1)C(=O)c1csc(C#N)c1 1325103247 AKYUSXMFXYEUFZ-UHFFFAOYSA-N 298.411 3.713 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1329990212 ZRQQLAXEPNYDCE-LSDHHAIUSA-N 290.382 3.624 30 20 CHED Cn1cc(-c2ccc(/C=C/c3cc(C#N)ccn3)cc2)cn1 1328933822 CBICKEQDYZLTSZ-QPJJXVBHSA-N 286.338 3.524 30 20 CHED C[C@@H]1COc2ccccc2[C@H]1OC(=O)c1csc(C#N)c1 1328236680 XKBRWQPYJWEHGY-BMIGLBTASA-N 299.351 3.546 30 20 CHED COc1ccc2cc(C(=O)NCC(C)(C)CC#N)ccc2c1 1328189304 JYUZHGRVFHKUMI-UHFFFAOYSA-N 296.370 3.518 30 20 CHED Cc1cccnc1NN=Cc1c(Cl)cccc1N(C)C 1320813872 BADZUXFXOMDGAP-UHFFFAOYSA-N 288.782 3.555 30 20 CHED CCN(Cc1ccccc1F)C(=O)Nc1ccc(C#N)cc1 1184739644 WDAPOAHXYCPGAK-UHFFFAOYSA-N 297.333 3.751 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(F)c(F)c(F)c1 1336238971 SCRQGHVGMIOOAE-NSHDSACASA-N 283.293 3.675 30 20 CHED C=CCC(C)(C)COC(=O)c1nccc2occc12 1348256824 OMJSWBGXAQJAMJ-UHFFFAOYSA-N 259.305 3.587 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1C[C@H]2CCC[C@H]2C1 1263318943 ZOYVYJODEKZMMW-IYBDPMFKSA-N 298.434 3.524 30 20 CHED CCc1oc2ccccc2c1CC(=O)O[C@@H]1CC[C@H](C#N)C1 1342645605 MRXKPEMBZGWSBL-QWHCGFSZSA-N 297.354 3.773 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](CCC)c1ccccc1 1347409471 XJWDDIRRTOMGBL-QGZVFWFLSA-N 284.403 3.583 30 20 CHED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(C#N)[nH]3)c21 1199680130 DUZINIKSZIDRBC-LLVKDONJSA-N 293.370 3.923 30 20 CHED CC(C)CN(CC(C)C)C(=O)CC#Cc1ccccc1 1340364423 SNLSQVVNPDSELZ-UHFFFAOYSA-N 271.404 3.569 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CC[C@H](C)[C@@H]1CC 1351819152 MUHJIVVSLIUIMT-AVGNSLFASA-N 294.468 3.513 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)c(F)c1 1351771052 BDPKBFYVZACWLP-QGZVFWFLSA-N 294.329 3.675 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)C1 1434887979 VLENVIRSMLHTAF-NEPJUHHUSA-N 290.794 3.768 30 20 CHED CC[C@H](CC(C)C)C(=O)N1CCCc2cc(C#N)ccc21 1522776577 AADQINVSRUMZSG-OAHLLOKOSA-N 284.403 3.910 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccoc1Cl 1529666985 SCLNQYJNSGPODE-JTQLQIEISA-N 288.734 3.638 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)c1csc(C#N)c1 1460523991 ZVMUKSQAHODDBP-UHFFFAOYSA-N 290.775 3.858 30 20 CHED C=C[C@@H](N[C@@H](C)c1ccccc1Oc1ccccc1)C(=O)O 1602816723 PVUPLZAMOQCZDD-XJKSGUPXSA-N 297.354 3.769 30 20 CHED O=C(O)c1coc(/C=C\C(=O)c2ccc3c(c2)CCCC3)c1 1602553821 MBCAJDSGVFWGTB-FPLPWBNLSA-N 296.322 3.753 30 20 CHED N#CCCS[C@H](C(=O)O)c1cccc(Cl)c1Cl 1601068641 KMCDTBQYVJAMGD-JTQLQIEISA-N 290.171 3.766 30 20 CHED O=C(O)c1csc(C(=O)/C=C\c2cc(F)ccc2F)c1 1610870631 MGVDMZDWNCQFND-RJRFIUFISA-N 294.278 3.621 30 20 CHED C=C(CC(C)C)C(=O)NC[C@@H]1CCCC(F)(F)C1 1548701273 PZZNKKXMKIBDFD-GFCCVEGCSA-N 259.340 3.530 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Nc2ccccc2)cc1 1540614129 WLGJGZRJPARKPQ-CYBMUJFWSA-N 279.343 3.918 30 20 CHED N#Cc1cnc(N[C@H]2CC[C@H](c3cccc(F)c3)C2)c(F)c1 1612344994 FIINQMLHUDKJQF-ZFWWWQNUSA-N 299.324 3.980 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cccc(O)c2)c1 8322698 YVZBSHFYHMIEMH-CMDGGOBGSA-N 252.313 3.905 30 20 CHED Cc1cc(NC[C@@]2(C)CCCc3ccccc32)ncc1C#N 1559156859 NQBJOYNRSXFFBO-LJQANCHMSA-N 291.398 3.968 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C)sc1Br 268469678 HEHLVHDZAHYIAV-SSDOTTSWSA-N 288.210 3.513 30 20 CHED N#Cc1ccc(SCCc2nc3ccccc3[nH]2)cc1 1559361682 IGNPDBGJHLPPLK-UHFFFAOYSA-N 279.368 3.769 30 20 CHED C=C(CNC(=O)N[C@H]1C[C@H]1C1CCCCC1)c1ccccc1 1632420417 KJTKREZIXQOUKQ-ROUUACIJSA-N 298.430 3.968 30 20 CHED N#Cc1cccnc1Oc1cccc(-c2ccccn2)c1 1642986026 IHGZFGDCLDXEOJ-UHFFFAOYSA-N 273.295 3.808 30 20 CHED CCC1(CC)CCCN(c2c(C#N)cccc2C#N)C1 1642936785 OAWFLYRTWBVFTE-UHFFFAOYSA-N 267.376 3.837 30 20 CHED C=CC[C@H](C)NCc1ccc(-c2ccccc2C(=O)O)o1 1588735476 ASHDZJOAOMMHRN-LBPRGKRZSA-N 285.343 3.699 30 20 CHED C=C(Br)CSc1ccc(C#N)c(C)c1 1652911723 FRIKTPTXKVFWDR-UHFFFAOYSA-N 268.179 3.867 30 20 CHED COc1cccc(CN(CC(C)C)CC2(CC#N)CC2)c1 1652356043 AFUWAEANWYDCQP-UHFFFAOYSA-N 286.419 3.847 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CC[C@@](C)(CC)C1 1760373480 TZGPJXYHUZZFGN-OAHLLOKOSA-N 294.830 3.534 30 20 CHED C=CCC[C@H](NCc1ccc(CC2CCC2)cc1)C(=O)O 1776166859 ILTIHDHZSPLAAH-KRWDZBQOSA-N 287.403 3.538 30 20 CHED O=C(O)c1cccc(NN=C2CC3(C2)C[C@H]2CC[C@H]3C2)c1 1776038327 DUAPFRJHGFDXEQ-WROFMUQLSA-N 284.359 3.753 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1nc(C)c(C)o1 1776784486 TYWJIVUZQOWPRL-CQSZACIVSA-N 296.411 3.585 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC2C[C@H](C)C[C@@H](C)C2)C1 1776153585 LGKYBNSRFWMYDE-RKVPGOIHSA-N 293.451 3.802 30 20 CHED C[C@@H](CC(=O)OCc1ccc(C#N)cc1F)c1ccccc1 13158714 IMPXRHAKSSMWCY-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED N#CCCOc1cc(Cl)c(Cl)cc1Cl 19426430 DJSZATHSJDMXEG-UHFFFAOYSA-N 250.512 3.939 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(-c2ccccc2F)n1 161738937 KSEBSUQFIRIQJT-NSHDSACASA-N 289.379 3.683 30 20 CHED CC[C@@H](CSC)N(C)Cc1ccc(C#N)cc1Cl 162931121 FFQIAYMUXZEOIC-ZDUSSCGKSA-N 282.840 3.785 30 20 CHED C=C(Br)CNc1ncc(Cl)cc1Cl 168337651 DYMJVPCZXSXXNW-UHFFFAOYSA-N 281.968 3.709 30 20 CHED COc1ccc(OC)c(/C=C\C(=O)c2ccccc2)c1 200256058 CFTGFQGJNBMNFR-NTMALXAHSA-N 268.312 3.600 30 20 CHED Cc1coc(-c2cccc(NCc3ccc(C#N)o3)c2)n1 152044539 CBHQUSAPVZBECW-UHFFFAOYSA-N 279.299 3.727 30 20 CHED CC1(c2ccccc2)CCN(CCCCC#N)CC1 153858166 PVDQRBYSEXNAFG-UHFFFAOYSA-N 256.393 3.734 30 20 CHED CCCCCCCC(=O)Nc1c(C)noc1CC 154059133 ZTYHWAFFTXGRNS-UHFFFAOYSA-N 252.358 3.844 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccsc1 157335793 PLHGEYAVOGZDFC-UHFFFAOYSA-N 252.383 3.958 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC[C@@H]2O)c(C(F)(F)F)c1 156862859 ALJAEPRAEOLJQY-RISCZKNCSA-N 298.308 3.540 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(-n2cccn2)cc1 156874667 LVIMLECUFBYJAE-UHFFFAOYSA-N 297.402 3.691 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 139921140 GGMANHAWJVELLT-UHFFFAOYSA-N 270.719 3.772 30 20 CHED N#Cc1cccc(CNC(=O)Nc2ccccc2Cl)c1 43146654 BWOZSZZYRUTRLN-UHFFFAOYSA-N 285.734 3.533 30 20 CHED CC(C)[C@H]1CN(c2ccc(C#N)c(Cl)c2)CCS1 301416997 BEFOZFRIGGLAFL-CQSZACIVSA-N 280.824 3.789 30 20 CHED C=CCC[C@H](CO)N[C@@H]1CC[C@H](C)c2ccccc21 320600557 FDFIPVNEUUYGHB-JJRVBVJISA-N 259.393 3.542 30 20 CHED N#Cc1cccc(CCNC2CC3(CCCCC3)C2)c1 421405403 YWGSXPPAOPLVIN-UHFFFAOYSA-N 268.404 3.803 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 424861289 DMICFGZKNCTFIN-DOMZBBRYSA-N 256.349 3.517 30 20 CHED CN(CC#Cc1cccc(Cl)c1)Cc1ccccc1 448518344 BSJFMEUKCRUPPN-UHFFFAOYSA-N 269.775 3.824 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)cc1 558680663 VVCXKNABPAYBEP-USXIJHARSA-N 257.377 3.530 30 20 CHED Cc1cccc(C[S@](=O)Cc2ccc(CC#N)cc2)c1 342261808 XOFDZWNISSXJPZ-HXUWFJFHSA-N 283.396 3.510 30 20 CHED C=C(C)CN(CCC(C)(C)C(=O)O)Cc1ccccc1 902292188 CKYYWGZJYKWPPZ-UHFFFAOYSA-N 275.392 3.566 30 20 CHED CCCC1(CNCc2ccc(C#N)cc2F)CCC1 391974706 IWHRSWJWRRJMTE-UHFFFAOYSA-N 260.356 3.757 30 20 CHED C[C@H](CCC1CC1)N[C@H](C)c1ccc(OCC#N)cc1 398135173 XLHSKDWZCNNZAW-ZIAGYGMSSA-N 272.392 3.818 30 20 CHED CCc1ccc(OCc2ccc(CC#N)cc2)cc1 398999369 AZVMMFXBTKJGGV-UHFFFAOYSA-N 251.329 3.894 30 20 CHED C#C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 796086411 KASCFQYIMHSHPR-GFCCVEGCSA-N 283.730 3.678 30 20 CHED C[C@@H]1CCN(Cc2cc(F)ccc2C#N)C[C@@H](C)C1 443649809 HCTVXQZEJVAZBT-OLZOCXBDSA-N 260.356 3.565 30 20 CHED CC(C)[C@@H]1CCCN(CCOc2cccc(C#N)c2)CC1 79378636 QWFAFHHFHBZTAC-QGZVFWFLSA-N 286.419 3.695 30 20 CHED CCOc1cccc(/C=N\[C@H](C)c2ccccc2)c1O 103011983 ULPGNARTZYCJML-FDIDITGRSA-N 269.344 3.971 30 20 CHED Cc1cccc(C)c1OC(=O)CCc1ccc(C#N)cc1 10406184 GYDQENSJYDYSOY-UHFFFAOYSA-N 279.339 3.713 30 20 CHED C=C(Br)CN[C@H]1CCC[C@H](C(F)(F)F)C1 136131254 JYENZQVDJRFHHW-IUCAKERBSA-N 286.135 3.606 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC)c1ccc(Cl)cc1 341893933 ZGSBCHLPYJEWGW-DOMZBBRYSA-N 267.800 3.565 30 20 CHED N#Cc1ccc(CNC(=O)c2csc3ccccc23)cc1 55460991 GPQBKWJZSCGNND-UHFFFAOYSA-N 292.363 3.703 30 20 CHED CC[C@@H](CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 103433510 YGNBGCJBSXSQNH-WMLDXEAASA-N 272.392 3.625 30 20 CHED COc1cc(C#N)ccc1OC(=O)/C=C(/C)c1ccccc1 77432353 FWWLMIOKMINNHX-RAXLEYEMSA-N 293.322 3.576 30 20 CHED C=CCCCC(=O)NCC1(c2ccc(F)cc2Cl)CC1 179403547 SZQBSNZJEKKBGM-UHFFFAOYSA-N 295.785 3.983 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)cs1)c1cccs1 176974325 XLZVQZMWEQXEGJ-JTQLQIEISA-N 276.386 3.562 30 20 CHED CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H](C)C(C)C 67703453 OFUNRIWLGUYZDJ-UONOGXRCSA-N 287.407 3.695 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCSc2c(F)cccc21 119524622 XXEIHKLSYFQKQR-CQSZACIVSA-N 291.391 3.672 30 20 CHED N#Cc1ccc(F)cc1CN1CCS[C@@H]2CCCC[C@H]21 247385455 IEQSIOFOOHFMPO-HZPDHXFCSA-N 290.407 3.557 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)C1 78267222 HWFXARSDZZQDLL-CHWSQXEVSA-N 264.369 3.783 30 20 CHED C[C@H]1C[C@@H](C)CN(c2ccc3cc(C#N)ccc3n2)C1 301823638 NGZWWHCOMZEKLD-BETUJISGSA-N 265.360 3.589 30 20 CHED CN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 176539766 GQWLZMZOUFVFSI-UHFFFAOYSA-N 295.342 3.856 30 20 CHED CCCC[C@H](CC)C(=O)N1CCCC(C)(C)[C@@H]1C#N 464476554 YEVAIWHJFVPYCZ-KBPBESRZSA-N 264.413 3.744 30 20 CHED N#Cc1c(F)cccc1Nc1ccc(NC(=O)C2CC2)cc1 301137544 CPXNTHOHOUKRCY-UHFFFAOYSA-N 295.317 3.789 30 20 CHED CCC[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 174104119 NBSXZZDOCASXCF-YPMHNXCESA-N 299.399 3.818 30 20 CHED Cc1ccc(C(C)C)c2c1C(=O)/C(=C\c1cnn(C)c1)CO2 179070619 XAOYAJPGUHZPCS-AUWJEWJLSA-N 296.370 3.511 30 20 CHED CCc1ccsc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 66003506 VKAUTQVXFMLEFE-LLVKDONJSA-N 295.367 3.677 30 20 CHED C#CCCCNC(=O)N[C@@H](CCC)c1ccc(F)cc1F 177108629 OAHWPRNXBMZGNH-HNNXBMFYSA-N 294.345 3.519 30 20 CHED C=CCOCCN[C@H](C)c1cc2ccccc2s1 305755189 RONUIMSYWPXLJB-GFCCVEGCSA-N 261.390 3.755 30 20 CHED N#CCC1(COC(=O)CCSc2ccc(F)cc2)CC1 174740683 GACHZWRKWFPJTG-UHFFFAOYSA-N 293.363 3.545 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H](C)c1ccccn1)c1ccccc1 179167227 OVYLGHYVSKWGLU-JKSUJKDBSA-N 294.398 3.961 30 20 CHED Cc1ccc(CC(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 175754225 QRHYZLZZVJDOGW-CQSZACIVSA-N 279.339 3.714 30 20 CHED N#Cc1c(F)cccc1NCCCNc1ccccc1 60362879 AHFHVLXLINRKFK-UHFFFAOYSA-N 269.323 3.611 30 20 CHED CC(C)(C)[C@H](Nc1ccc(C#N)nn1)c1ccccc1 301958761 LRNOSMFUYYHHCT-OAHLLOKOSA-N 266.348 3.548 30 20 CHED CCN(Cc1nc(C)c(C)o1)[C@@H](C)c1ccc(C#N)cc1 64142011 HVXFQPDXNQEBJI-ZDUSSCGKSA-N 283.375 3.746 30 20 CHED N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2C2CCCCC2)cc1 127165098 ZIPGLEIVZWJKHQ-MOPGFXCFSA-N 298.430 3.636 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 129827671 FPUGULUOJLDRPH-KSSFIOAISA-N 286.419 3.797 30 20 CHED C[C@@H]1CC[C@@H](C)N1c1ccc(C(F)(F)F)cc1C#N 301920850 XGOQYEZEHALHRT-NXEZZACHSA-N 268.282 3.954 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(N[C@H]2CCC[C@@H](C#N)C2)c1 185732484 KWXXMTPQGCVJBE-CVEARBPZSA-N 294.402 3.983 30 20 CHED CN(CCCCN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 185793861 YLVBVQJSZNMJGD-IRXDYDNUSA-N 285.435 3.575 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1c1ccc(Cl)c(C#N)n1 301596799 WPLZPUFYPGKSGT-JSGCOSHPSA-N 297.789 3.989 30 20 CHED C[C@H](NCCCCC#N)c1ccc2ccccc2c1O 185339302 DHWGBTCTTYOTBT-ZDUSSCGKSA-N 268.360 3.890 30 20 CHED C=CC[C@H](C(=O)NCCc1cccs1)c1ccccc1 186203891 VODKLXRWWLUITF-INIZCTEOSA-N 285.412 3.767 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(OC)c1 181040190 YQYMHVXWOBJAFS-LBPRGKRZSA-N 262.353 3.562 30 20 CHED Cc1cc(C(=O)O[C@@H](C#N)C(C)(C)C)c2ccccc2n1 184921207 PUIIKWIEZMXMCH-HNNXBMFYSA-N 282.343 3.638 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cccc(F)c1 182553288 SPCPWIPJPLLIEK-LBPRGKRZSA-N 270.307 3.729 30 20 CHED N#Cc1ccc(CNc2ccc(OC(F)F)c(F)c2)cc1 37776567 QMOQDWPKGBBSBX-UHFFFAOYSA-N 292.260 3.911 30 20 CHED COCCOc1cccc(/C=C/C(=O)c2ccccc2C)c1 77181595 OXZHCFPNMGEUKO-ZHACJKMWSA-N 296.366 3.916 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc2ccccc2c1 126461584 RBKPYENOCCKPSO-OAHLLOKOSA-N 294.398 3.841 30 20 CHED C#C[C@@H](C)NC(=O)CCCc1cc(Cl)sc1Cl 186023145 CWRCACMNDIEUIT-MRVPVSSYSA-N 290.215 3.516 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC1(c2ccccc2C)CC1 507464689 YCILXISLKVCQAB-OAHLLOKOSA-N 286.419 3.681 30 20 CHED N#C[C@H]1CCC[C@H](NCc2csc(-c3ccco3)n2)C1 185863594 ZDJAZLFYIHYLKJ-RYUDHWBXSA-N 287.388 3.575 30 20 CHED C#CCCCCNC(=O)c1cccc(Cl)c1Cl 156486164 UBSPZOWMSBRNAM-UHFFFAOYSA-N 270.159 3.527 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SCC1CC1 122862909 LAKIORRDWHNCGT-UHFFFAOYSA-N 285.416 3.557 30 20 CHED Cc1ccc(F)c(OCc2ccc(C#N)c(C)c2)c1 447295193 JRJOZSDSJSVTIY-UHFFFAOYSA-N 255.292 3.893 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(OC(F)F)cc2)C1 185723784 RSBHOTKXWLDQOF-CMPLNLGQSA-N 266.291 3.782 30 20 CHED COc1ccc(C)cc1CN(CCC#N)Cc1ccco1 78665907 KUQFGMZJJOXWPK-UHFFFAOYSA-N 284.359 3.513 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N2CCc3cc(C#N)ccc32)C1 416014444 OWAUPPCGIVSQAS-VIKVFOODSA-N 282.387 3.520 30 20 CHED Cc1ccccc1[C@H](O)CNc1c(Cl)cccc1C#N 78251935 KYNZHHPIYHBLRB-OAHLLOKOSA-N 286.762 3.666 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(C)c(C)c2)c1 184773431 QCKFWVYBKBWMIX-VOTSOKGWSA-N 251.329 3.903 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1cccc(C)c1C 185583430 DEIBIDMRQKCMSD-AWEZNQCLSA-N 257.377 3.530 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 188826918 GARIEIODBGUFGQ-PBHICJAKSA-N 296.414 3.940 30 20 CHED CCc1cccc(NC(=O)c2cscc2C#N)c1CC 410758450 DDXMSQYTUJCQQW-UHFFFAOYSA-N 284.384 3.997 30 20 CHED CCCC[C@@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 410006270 YXCANYJUCVZFKT-BXUZGUMPSA-N 278.783 3.847 30 20 CHED N#CC1(CNCc2cccc(-c3ccncc3)c2)CCC1 418135308 AJHBNXVLSCHTCL-UHFFFAOYSA-N 277.371 3.532 30 20 CHED CC(C)Oc1ccc(NC(=O)C#Cc2ccccc2)c(F)c1 81620971 OUGHARHWGXHWHL-UHFFFAOYSA-N 297.329 3.603 30 20 CHED CCCCCCCCCN1CCN(C2CCOCC2)CC1 192054061 ORPOQGUQGUUZGC-UHFFFAOYSA-N 296.499 3.534 30 20 CHED N#Cc1cccc(COc2ccc([C@@H]3CCOC3)cc2)c1 190288324 JURGMINZGAOMBA-QGZVFWFLSA-N 279.339 3.641 30 20 CHED OC(=Nc1csc(-c2ccccn2)n1)[C@@H]1C[C@H]1C1CC1 329427341 JFFGETPIJSSEPJ-WDEREUQCSA-N 285.372 3.839 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C[C@@H]2CCCC(F)(F)C2)C1 329168818 JFFYCGXMMBANMG-AXFHLTTASA-N 288.338 3.523 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1/N=C(/O)[C@@H]1CCc2n[nH]cc2C1 328770733 AFJGQODDUKZPHW-BZPMIXESSA-N 289.423 3.686 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 192075330 GKNHBGSTCUAGDD-UHFFFAOYSA-N 298.317 3.755 30 20 CHED N#CCSCC(=O)Oc1ccccc1-c1ccccc1 48539434 QHDGGMQBFVYMEJ-UHFFFAOYSA-N 283.352 3.516 30 20 CHED CC(C)[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424206580 WWLNCKSHVCNKGG-UAGQMJEPSA-N 256.393 3.708 30 20 CHED Cc1occc1CN(C)c1c(C#N)cnc2ccccc12 48913402 KWDYYYKBHSWBRW-UHFFFAOYSA-N 277.327 3.644 30 20 CHED N#CCN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C1CCCC1 513364898 BQQHBZWVUAFOFV-HYVNUMGLSA-N 288.435 3.888 30 20 CHED C#CCCCC(=O)Nc1ccc(CCC(F)(F)F)cc1 192149393 TVURAFXRIQZHRH-UHFFFAOYSA-N 283.293 3.924 30 20 CHED C#CCCCCNC(=O)N1CCc2c(cccc2C(C)C)C1 191071286 FBZYRYLTXAKLHY-UHFFFAOYSA-N 298.430 3.681 30 20 CHED C=CCC[C@H](CCC)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2 425941429 ZLGXLEAYVCWZRP-LUKYLMHMSA-N 265.441 3.652 30 20 CHED Cc1ccnc(NCc2ccc(Cl)s2)c1C#N 135080543 BJLMOPNDNNGXJQ-UHFFFAOYSA-N 263.753 3.589 30 20 CHED COCc1ccccc1/C=C(/C)CN(C)CC(C)(C)C#N 519726245 UPKZPIRKMPFRQC-GDNBJRDFSA-N 286.419 3.718 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2cc(OCC)ccc2C1 424730879 FLNCRTMSILVKPB-UHFFFAOYSA-N 287.403 3.572 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 515125998 TYSAOXVIJAJOIP-ILXRZTDVSA-N 297.402 3.755 30 20 CHED COc1ccccc1[C@@H](C)[S@@](=O)Cc1cccc(C#N)c1 80150183 IDLFOUIIAOXKPG-LRTDBIEQSA-N 299.395 3.577 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 510039854 LDUUBHAGMLWHAS-SQWLQELKSA-N 282.387 3.565 30 20 CHED CCCOc1cccc(NC(=O)C(C#N)(CC)CC)c1 527911754 CAVTVWWNYDQIGZ-UHFFFAOYSA-N 274.364 3.744 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 425557922 CIUFYECETOOGSC-ZDUSSCGKSA-N 276.767 3.623 30 20 CHED C[C@@H](NC(=O)NCCC1CCCCC1)c1ccc(C#N)cc1 41185745 FAGAHAYQKZBQMI-CQSZACIVSA-N 299.418 3.889 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)CCc1ccc(C#N)cc1 510538953 LSOBXZAKATVJOV-QAPCUYQASA-N 298.430 3.823 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H]2CCCF)s1 421874874 IQIIQYGCCZCUEF-SMDDNHRTSA-N 266.385 3.628 30 20 CHED N#Cc1csc(CN2CC[C@@H](C3CCCC3)C2)c1 421387130 IAODMCPBQLQQEW-CQSZACIVSA-N 260.406 3.632 30 20 CHED C=C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 335876439 YUNSKPIYZPJHQU-UHFFFAOYSA-N 275.314 3.534 30 20 CHED CC(C)(C)CCNC(=O)Nc1ccc(C#N)cc1Cl 426138821 JHWXIMHDKCVJIL-UHFFFAOYSA-N 279.771 3.769 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCO[C@@H](C)c1ccccc1 424564324 PGTZWQYTBGMEFI-HNNXBMFYSA-N 289.419 3.873 30 20 CHED C=CCOc1ccc(C(=O)N(CCC)CC2CC2)cc1 97150840 DPRSMSVTOMDOAH-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C=CC[C@H]1N(CC2CC(OCC)C2)CCCC1(C)C 510779412 PHIAULVVNRBVPD-UYSNPLJNSA-N 265.441 3.868 30 20 CHED Cc1cccc(C2=CCN(c3cnccc3C#N)CC2)c1 92696492 ZPLXOCDFPHIEON-UHFFFAOYSA-N 275.355 3.555 30 20 CHED C[C@H](c1ccccn1)N1CC=C(c2ccc(C#N)cc2)CC1 334477918 PVTMYVVNLGXMGC-OAHLLOKOSA-N 289.382 3.804 30 20 CHED C[C@H](CC#N)N(C)Cc1cccc(Cl)c1Cl 97078779 LYLUREICVRAVAD-SECBINFHSA-N 257.164 3.727 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCc2ccc(C#N)cc2F)o1 237661038 CDVUQOYMCDWCDN-XHDPSFHLSA-N 284.334 3.704 30 20 CHED C#CCOc1ccc(F)cc1NCc1cccc(F)c1F 237764210 OCSSREVDRYJHDD-UHFFFAOYSA-N 291.272 3.728 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1nc(C(C)(C)C)cs1 339085807 LTOMSEVFGAPRHU-SRVKXCTJSA-N 277.437 3.783 30 20 CHED CN(Cc1cccc(F)c1)c1c(C#N)cnc2ccccc12 97393475 JXMUVYYGMGAEND-UHFFFAOYSA-N 291.329 3.882 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(Br)ccc1C 385065751 VJOLWYBYRSJFIY-UHFFFAOYSA-N 296.208 3.700 30 20 CHED CC[C@@H]1CCC[C@H]1/N=C(/O)c1oc(CC2CC2)nc1C 330006497 FCZJCMIUMSMMJK-CHWSQXEVSA-N 276.380 3.819 30 20 CHED Cc1nc(SCc2ccc(C#N)cc2Cl)[nH]c1C 338582118 XFRTXYDITRMIHB-UHFFFAOYSA-N 277.780 3.844 30 20 CHED CC1CCC(/N=C(/O)[C@H](C)S[C@H]2CCCN=C2O)CC1 330187226 KGXCTLHBFPQOEQ-MVKMKZAISA-N 298.452 3.762 30 20 CHED COc1ccc([C@@H](NCC2(CC#N)CC2)C(C)C)cc1 430746516 HTGWVUGBUGQIAM-INIZCTEOSA-N 272.392 3.676 30 20 CHED C=CCC[C@H](NCCc1cc(F)cc(F)c1)C1CC1 438988312 WAMHCSPUFIJRER-INIZCTEOSA-N 265.347 3.842 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](CCO)c1ccc(Cl)cc1 348223006 XJOZCWWKRYFQBA-HEHGZKQESA-N 281.827 3.954 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2cnc(C)s2)n1 340811260 YOOIBUNXKCLCJF-SREVYHEPSA-N 275.377 3.859 30 20 CHED N#Cc1cc2c(nc1SCc1ccns1)CCCC2 603312074 OEBKWKAGUGAAIR-UHFFFAOYSA-N 287.413 3.581 30 20 CHED COc1cccc(CN(C)c2c(Cl)cccc2C#N)c1 609494945 VITXBUWPQZFKQP-UHFFFAOYSA-N 286.762 3.857 30 20 CHED C[C@@H]1CCN(CCOc2cccc(C#N)c2)[C@H]2CCCC[C@H]21 603846826 CQJMJQUMRFFDOV-MNEFBYGVSA-N 298.430 3.838 30 20 CHED Cc1ccc([C@H](C)NC(=O)/C=C\c2ccccc2C#N)cc1 255880834 OWLQSXLBWXROAN-SSCKCOOKSA-N 290.366 3.757 30 20 CHED CCCOc1cc(/C=C\c2ccc(C#N)cn2)ccc1OC 255472692 DXYJLSDUAZIXSU-DAXSKMNVSA-N 294.354 3.921 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCC(C)(C)C1CCCC1 602576560 OCZXIHYYFFMEKP-HNNXBMFYSA-N 292.467 3.891 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)C1(C#N)CCCCC1)CC2 609305090 XCVHWAOKDBEKSU-MRXNPFEDSA-N 282.387 3.573 30 20 CHED CC(C)C[C@H](NCc1ccc(C#N)s1)c1ccccn1 345011746 LWBVPHUDQFKDBZ-INIZCTEOSA-N 285.416 3.892 30 20 CHED C=CCOCCCN(CC)[C@@H](C)c1ccc(C#N)cc1 347968978 SHMMPUDJWVZFCY-HNNXBMFYSA-N 272.392 3.534 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3scnc3c2)c1 255591919 BCAIJERMKDTJEF-UHFFFAOYSA-N 299.311 3.661 30 20 CHED C=CCn1c(S[C@@H]2C=CCCC2)nc2ccccc2c1=O 524442716 ZSLJCSLLCOCAPO-CYBMUJFWSA-N 298.411 3.783 30 20 CHED C=CCSc1ccccc1C(=O)N(C)CCCSC 342186534 VCTQGAWHHLVVNJ-UHFFFAOYSA-N 295.473 3.790 30 20 CHED N#Cc1ccc(CN2CCC=C(c3ccccc3)C2)cc1 341983223 FFJNLGYYVVJUFN-UHFFFAOYSA-N 274.367 3.848 30 20 CHED C[C@@H](CCC#N)CNCc1csc(Br)c1 602510710 MDHMGECBTYUSFP-VIFPVBQESA-N 287.226 3.540 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1C#N 255392093 BKBNIYJQCGQRQY-UITAMQMPSA-N 277.323 3.771 30 20 CHED Cc1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1 602493774 LIAKHEKKNBYWOT-AWEZNQCLSA-N 258.365 3.506 30 20 CHED Cc1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1C 602494520 PMOYTGKKHVUTQY-AWEZNQCLSA-N 272.392 3.814 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3ccsc3)n2c1 255694915 DGRHOQFNRNEJFO-ARJAWSKDSA-N 268.341 3.600 30 20 CHED C=CC[C@@H](C)NC(=O)NCCSc1ccc(Cl)cc1 604895394 VPOBZNYQPOBUEU-LLVKDONJSA-N 298.839 3.696 30 20 CHED C=CCCC1(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CC1 355538721 CIZPKPIEKXNBHN-UHFFFAOYSA-N 287.388 3.823 30 20 CHED CCCc1sc(C(=O)N[C@@H](C#N)CC(C)C)cc1CC 608820490 FGBHJOLAAPGEEG-CYBMUJFWSA-N 292.448 3.931 30 20 CHED C=CC(C)(C)CN[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 449486743 VCHUNTSAMBVGRD-AEFFLSMTSA-N 286.463 3.699 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 537643330 SOEDTRYQZKPCBA-VIFPVBQESA-N 296.292 3.881 30 20 CHED CCc1cc(C(=O)Nc2cc(C#N)ccc2NC)sc1C 355640742 FMKAMKOSYKPQRL-UHFFFAOYSA-N 299.399 3.785 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccn(CCC)c1 358099497 RUDSCLKRKXIBJH-KRWDZBQOSA-N 295.386 3.651 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(CC(F)(F)F)c2)C1 442850656 DMHOQHBUXYYHNQ-DGCLKSJQSA-N 268.282 3.896 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2ccccc2n1 352524881 DKMQAROZFQQXPI-UHFFFAOYSA-N 268.360 3.567 30 20 CHED CCc1cc(C#N)c(NC(=O)CCc2ccccc2)s1 604029950 LKHLQUKXIQXXIJ-UHFFFAOYSA-N 284.384 3.753 30 20 CHED CCC[C@]1(C(F)(F)F)CCCN1CCCSCC#N 441300452 ZOGPMAQFVAQRNX-GFCCVEGCSA-N 294.386 3.830 30 20 CHED CC[C@@H](NC(=O)CC(C)(C)C#N)c1cccc(Cl)c1 350787937 SERZLLQAUUBTMC-CYBMUJFWSA-N 278.783 3.847 30 20 CHED C=CCC1(C(=O)NCc2ccc(F)cc2F)CCCC1 449435692 ABFZVDXHATUOGN-UHFFFAOYSA-N 279.330 3.718 30 20 CHED Cc1cccc2c(N3CCC[C@@](C)(C#N)C3)c(C#N)cnc12 612107896 JTZYPVLAIDTAAX-SFHVURJKSA-N 290.370 3.545 30 20 CHED C=CCCO[C@H](C)c1nc([C@@H]2CCc3ccccc32)no1 356658761 ZRXNQYIQCAALMV-IUODEOHRSA-N 284.359 3.801 30 20 CHED C[C@@H]1CC[C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 358022114 FLABQMQAEWYRJA-VYDXJSESSA-N 284.403 3.626 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(N[C@@H]2CC[C@H](C#N)C2)c1 442853250 IZWKPWAAATZMEG-LSDHHAIUSA-N 280.375 3.593 30 20 CHED C=CCC[C@H](O)CN[C@@H](CC)C(C)(C)c1ccccc1 537223789 HSDIEQZVBFPVCY-IRXDYDNUSA-N 275.436 3.660 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)C(CC)CC)C1 617781677 RNJXHOVUODGNFR-UONOGXRCSA-N 251.414 3.873 30 20 CHED CCC1(CC)CCN(C(=O)NCC(C)(C)CCC#N)C1 358697163 SBMRKQYCMDAMKQ-UHFFFAOYSA-N 279.428 3.538 30 20 CHED CC[C@H](N[C@@H](C)CC(F)(F)F)c1ccc(C#N)cc1 447600330 LXHPPSBZUXOOAJ-GWCFXTLKSA-N 270.298 3.940 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H]2c2ccccc2)o1 266203599 MBUSWQZGLVUUBM-SJORKVTESA-N 266.344 3.577 30 20 CHED C[C@H](CCc1ccco1)N[C@@H]1CCc2ccc(C#N)cc21 353412635 MEDWOUCKAFDYLS-FZKQIMNGSA-N 280.371 3.749 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)c(C)cc1Cl 443950263 YOEOILVHJKJEPM-QMMMGPOBSA-N 273.163 3.998 30 20 CHED CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 266676873 ZYEFEGKQRYDKGQ-AWEZNQCLSA-N 280.371 3.808 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC1CCC(C(F)F)CC1 619673641 OMDHRYPAOILKKP-LDZOIKDWSA-N 290.357 3.959 30 20 CHED CCN(C(=O)c1cc(C#N)c[nH]1)c1cccc2ccccc12 531129526 PSRLKZFAVGVBEV-UHFFFAOYSA-N 289.338 3.706 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1ccc(F)cc1Cl 615092166 DQMDWSKMMLCSFK-JTQLQIEISA-N 289.741 3.597 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cnn(CC)c2)CCCCC1 456728197 KXHOWSKBYFMOGG-AWEZNQCLSA-N 289.423 3.607 30 20 CHED CC[C@H](NCc1ccnc(C#N)c1)c1ccc(Cl)s1 612477781 ZIMHICZOPKRMEY-LBPRGKRZSA-N 291.807 3.909 30 20 CHED COCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 363717903 HYEUHUCYELWWFV-CQSZACIVSA-N 280.371 3.522 30 20 CHED CC[C@H](CC(=O)NCC(C)(C)C#N)c1ccc(C)cc1 611689381 FULIBTMUZPTOHP-CQSZACIVSA-N 272.392 3.545 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 452716841 JFRCZMDNPIPCHG-LBPRGKRZSA-N 293.794 3.631 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1cc(C)cc(C)c1)OCC 533707319 BORAUKWFTKTJPF-WBVHZDCISA-N 289.419 3.852 30 20 CHED C=CCC[C@H](NC[C@H]1CCOC(C)(C)C1)C1CC1 453431870 RTZFYOQPGUNKME-ZFWWWQNUSA-N 251.414 3.526 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)NCCc1cccc(C#N)c1 454940768 WSLGEIRFVHTAKW-HNNXBMFYSA-N 299.418 3.535 30 20 CHED C=CCC1(C(=O)NCCCCN(C)C2CC2)CCCCC1 457169784 PDAJQGVRQPHJBO-UHFFFAOYSA-N 292.467 3.504 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc3c(cnn3C(F)F)c2)C1 619673772 NFIGGIVBXBURHN-KOLCDFICSA-N 276.290 3.536 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@H](C2CC2)C1)c1ccco1 367592335 CCRVBNVOGUJMMA-VYDXJSESSA-N 275.392 3.834 30 20 CHED N#CC1(CSc2nccn2Cc2ccccc2)CCC1 450713649 VAFDFGYJKFIKIW-UHFFFAOYSA-N 283.400 3.717 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(F)c1Cl 274297088 FASGHPUCTGZZGH-AWEZNQCLSA-N 282.746 3.537 30 20 CHED C=C(C)[C@@H](NC(=O)CC(C)(F)F)c1ccc(F)c(F)c1 277404765 FXZQCSDZKFLITM-CYBMUJFWSA-N 289.272 3.744 30 20 CHED C=CCCS[C@@H](C)C(=O)N[C@H](C)c1ccccc1C 610088859 HXDAFOUKZZBRTB-KGLIPLIRSA-N 277.433 3.870 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(CC#N)CC2)C1 541968611 ROMCFVSYIBWFBE-JKSUJKDBSA-N 291.439 3.536 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2occc2C(C)C)C1 617779234 XMFXZQDQYBMEJU-ZDUSSCGKSA-N 261.365 3.831 30 20 CHED Cc1cc(F)ccc1-c1ccc(CN2CC(C)(C#N)C2)o1 459599265 XLQDCRDMSXQAAZ-UHFFFAOYSA-N 284.334 3.740 30 20 CHED CSC[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 360646710 JZJRJMMNITVUQR-WBMJQRKESA-N 274.433 3.667 30 20 CHED CCN(CCc1ccccc1)Cc1cccc(C#N)c1F 540299265 WMIAYKSFQNOBOT-UHFFFAOYSA-N 282.362 3.762 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H](C)CCc2ccco2)c1 273247321 VOMXAZNBWMAFOX-LBPRGKRZSA-N 282.343 3.787 30 20 CHED COc1c(O)cccc1CN[C@H](CCC#N)c1ccccc1 272419227 LPMBXKKNFHCXOW-MRXNPFEDSA-N 296.370 3.535 30 20 CHED Cc1cc([C@H](C)NC(=O)NCC(C)(C)CC#N)c(C)s1 457722054 COSHAOZEUKGEAL-NSHDSACASA-N 293.436 3.665 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cc(-c2ccccc2)no1 276190665 LQVQXEJQQMOUIE-QGZVFWFLSA-N 284.359 3.560 30 20 CHED CSc1ccc(Oc2snc(C)c2C#N)cc1 360843010 RZJMOSWDEWCXKF-UHFFFAOYSA-N 262.359 3.837 30 20 CHED C=CCC(C)(C)CNCc1cc(C)c(Br)cn1 623532231 IWEAIBFRAGETCV-UHFFFAOYSA-N 297.240 3.844 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 544035160 ZWQMIRFEGGCVHZ-CBBWQLFWSA-N 264.413 3.609 30 20 CHED CC[C@@]1(C)CCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 456006315 QAIBAWWHBCDRKD-INIZCTEOSA-N 271.364 3.521 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCC1(C)C 540487131 MYYYLHUPANLVQJ-OLZOCXBDSA-N 252.402 3.609 30 20 CHED C=CCC[C@@H](C)N[C@H]1CCOc2c(F)ccc(F)c21 361188508 SSNYCOPOVLUHRJ-MFKMUULPSA-N 267.319 3.733 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(F)c(C#N)c1)C1CC1 278641563 NZLIFSXXAMTAPD-VXGBXAGGSA-N 288.366 3.737 30 20 CHED COc1ccc(C)cc1CSCC1(C#N)CCC1 450875166 RCKDUISIBXBVSY-UHFFFAOYSA-N 261.390 3.931 30 20 CHED C[C@H](C[C@@H](O)c1ccccc1)N[C@H](C)c1cccc(C#N)c1 271918477 ZMZJPCZZNFKVGJ-SPYBWZPUSA-N 294.398 3.721 30 20 CHED CO[C@]1(C)C[C@@H](Nc2ccc(C#N)c(Cl)c2)C1(C)C 467025939 VKZKSVVANHIDNY-UKRRQHHQSA-N 278.783 3.827 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2c(C)cc(O)nc2c1 620857396 ZLQXUDITCXIMBI-UHFFFAOYSA-N 298.386 3.723 30 20 CHED C=CCCCc1nc(-c2ccc(OC(F)F)cc2)no1 545525044 CAOVZFVNCGDYGJ-UHFFFAOYSA-N 280.274 3.847 30 20 CHED Cn1c(-c2ccccc2)cnc1S[C@H]1CC[C@@H](C#N)C1 278557630 MIGJDXJJFNKPQR-OCCSQVGLSA-N 283.400 3.871 30 20 CHED CC[C@](C)(C#N)NC(=O)CCCCCc1ccc(F)cc1 548615909 BBINVPGMBGBESC-QGZVFWFLSA-N 290.382 3.737 30 20 CHED N#CCc1ccc(COc2ccccc2-n2ccnc2)cc1 542220191 VIQLJBHAOMSDRO-UHFFFAOYSA-N 289.338 3.517 30 20 CHED CC[C@@H](CC(F)(F)F)N[C@H](C)c1cccc(C#N)c1 545460587 RFJNZECRLNJGRE-MFKMUULPSA-N 270.298 3.940 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1ccccc1F 280933059 VKZSZRLLLKNWGX-COXVUDFISA-N 277.383 3.848 30 20 CHED N#CCCCN1CCCC[C@H]1c1ccc(F)cc1F 370757209 NBQBHNYPBZYPSV-HNNXBMFYSA-N 264.319 3.796 30 20 CHED C=CCC(F)(F)c1nc(-c2cccc(C)c2)no1 550955327 WMNJNOBOIHTOEH-UHFFFAOYSA-N 250.248 3.713 30 20 CHED CC[C@H](CC(F)(F)F)Nc1cc(C#N)ccc1[N+](=O)[O-] 466542509 AARDOGYWWKYRGQ-SECBINFHSA-N 287.241 3.609 30 20 CHED C=CCC(C)(C)c1noc(COc2ccccc2)n1 551492700 RTWUGNGWJZZZDV-UHFFFAOYSA-N 258.321 3.502 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 284858466 DIAPEPNGRGAZOJ-UGSOOPFHSA-N 284.403 3.682 30 20 CHED N#Cc1cc(CN2CC[C@H]2Cc2ccccc2)ccc1F 468277053 CTBNQSNAMRSOJL-KRWDZBQOSA-N 280.346 3.514 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 465175810 JNUUFDDMOWGXNY-GFCCVEGCSA-N 278.355 3.954 30 20 CHED C=CCC[C@H](NCc1cn(C(C)C)nn1)c1ccccc1 289856815 VSBXEZPNZINZQM-KRWDZBQOSA-N 284.407 3.656 30 20 CHED CC(CCC1CC1)=NNc1nccnc1C1CCC1 807993194 ZKTXSBGZLIETHI-UHFFFAOYSA-N 258.369 3.722 30 20 CHED CC(=O)c1ccc(OC(=O)[C@]2(C#N)CC23CCCC3)c(C)c1 298616736 INSFAHKTVKITJF-GOSISDBHSA-N 297.354 3.577 30 20 CHED C/C(=C\c1ccccc1OC(F)F)CN(C)[C@@H](C)CC#N 290366371 HICIYOULJBUNRM-XSNHNAGMSA-N 294.345 3.925 30 20 CHED CC(C)CO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C 557807222 DXVPVZVCXMDCHV-CABCVRRESA-N 292.448 3.549 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCCCC23CCCC3)cc1 387231415 HNRLTLJQDFTQRX-MRXNPFEDSA-N 282.387 3.791 30 20 CHED C#Cc1ccc(CNc2ccc(OC(C)C)c(C#N)c2)cc1 809635822 LCOPBGWHRXDCLB-UHFFFAOYSA-N 290.366 3.939 30 20 CHED C[C@@H]1CC/C(=C/C(=O)NCc2ccc(C#N)c(Cl)c2)C1 801070433 INXVKGGBXSKYFW-HQQGHWSLSA-N 288.778 3.574 30 20 CHED C[C@H](Cc1cccc(Cl)c1)N[C@H]1CC[C@@H](CC#N)C1 295138027 ZBNYDAWNTVGEDU-WWGRRREGSA-N 276.811 3.943 30 20 CHED N#CCCCC(=O)Nc1ccc(CN2CCCCCC2)cc1 292376843 PWRZNFSPVPZMBT-UHFFFAOYSA-N 299.418 3.695 30 20 CHED COc1cc(CN2CCCC(C)(C)[C@H]2C#N)ccc1C 565284273 BNLMQGIAQGVVCA-MRXNPFEDSA-N 272.392 3.518 30 20 CHED C[C@H](C#N)OCCSCc1cc(-c2ccccc2)no1 802749544 GMGHSWSGUVHZGV-GFCCVEGCSA-N 288.372 3.503 30 20 CHED N#CCN(C(=O)[C@@H]1CC12CCCCC2)c1ccccc1 479110598 WJRRBMBXIUVXDD-HNNXBMFYSA-N 268.360 3.514 30 20 CHED C=CCOc1cccc(CN[C@H](CO)CCC(C)(C)C)c1 475681655 XWNJJSMPHCSKRB-INIZCTEOSA-N 291.435 3.528 30 20 CHED Cc1csc([C@@H](NCCC(C)(C)C#N)C(F)(F)F)n1 295504889 STKNXCJLDGAXGN-SECBINFHSA-N 291.342 3.584 30 20 CHED C=CCCCCCCNC(=O)[C@@H](C)c1c(C)noc1C 805218392 ZQMIFEKXOZUVFB-LBPRGKRZSA-N 278.396 3.648 30 20 CHED N#C[C@H](C(=O)c1ccc(Cl)o1)c1nc(C2CC2)cs1 647372451 MTXNCYPVBVMELI-MRVPVSSYSA-N 292.747 3.757 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2c(F)ccc(O)c2F)co1 806557648 HRVULMMMNUVTHV-HWKANZROSA-N 293.269 3.678 30 20 CHED CCC(CC)CC(=O)Nc1scc(C)c1C#N 563568512 HIRCKXBAABCMCN-UHFFFAOYSA-N 250.367 3.693 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(C)c(C(=O)O)c1 398065549 DPPMOVJEUUIIPJ-LBPRGKRZSA-N 290.363 3.560 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Cl)c(F)cc1Cl 293607859 DWOFOPGSONWVBP-SSDOTTSWSA-N 276.138 3.827 30 20 CHED C=CCCCCCCNC(=O)c1csc(C2CC2)n1 805217716 IKOLZBZWTFMMLO-UHFFFAOYSA-N 278.421 3.887 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2O[C@H](C)C1 294130002 KLAACITVCMSPPM-CQSZACIVSA-N 285.387 3.565 30 20 CHED C[C@H]1CCC[C@@H](COC(=O)CCCCCC#N)C1 805697810 HQDQMNHCDRYMJO-UONOGXRCSA-N 251.370 3.830 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC[C@H](O)c1cccc(F)c1 819369263 XFQFWJMIMDFRSZ-OALUTQOASA-N 299.389 3.636 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](C)c1ccc(F)c2ccccc12 812393556 PDXZCANVCPRFMO-OLZOCXBDSA-N 298.361 3.751 30 20 CHED C=CCCCCOC(=O)Cc1c[nH]c2c(C)cccc12 811012620 QWZNKWPTUZTVET-UHFFFAOYSA-N 271.360 3.918 30 20 CHED CCOC1(CNc2nc3c(cc2C#N)CCCC3)CCCC1 390018147 VOYWNVIPRQIGHM-UHFFFAOYSA-N 299.418 3.593 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 819734696 RLWICEMLVMREFC-XJKSGUPXSA-N 299.422 3.652 30 20 CHED COc1ccc(CN(C)c2cccc(F)c2C#N)cc1C 487995973 XKSWZKBXHJAYIE-UHFFFAOYSA-N 284.334 3.651 30 20 CHED O=C(/C=C/c1cncs1)c1nccc2ccccc12 811699026 ODUNXDCQTVMQKR-AATRIKPKSA-N 266.325 3.587 30 20 CHED C[C@H](OC(=O)CCCC#N)c1ccc(F)c(Cl)c1 812617119 DDUDOMJZQLEFCP-VIFPVBQESA-N 269.703 3.777 30 20 CHED C=CCCCCSc1nnc(-c2cccnc2)n1CC 575321509 MGACZOCFVUXQAM-UHFFFAOYSA-N 288.420 3.808 30 20 CHED CC[C@@]1(C/N=C/c2ccccc2O)OCCc2ccccc21 811624996 ZZLIUTMUSHNSGF-XAJRUKRBSA-N 295.382 3.689 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@H](CC)C1)c1ccccc1 489720165 UGNCLLMRCIKMGE-RDJZCZTQSA-N 271.404 3.995 30 20 CHED CCCCCCCC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 818440100 SMDJJCCQSIDKOA-VGWMRTNUSA-N 263.425 3.851 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@H](C(=O)O)C[C@@H]1C 814858847 IBXZAXAHUNHBPA-IHRRRGAJSA-N 282.428 3.812 30 20 CHED CC(=NOC/C=C\Cl)c1ccccc1OC(F)F 811671454 FVNWASWKIDNLND-RIHHJFJNSA-N 275.682 3.781 30 20 CHED COCCC(C)=NNc1nc(Cl)c(Cl)cc1Cl 814740904 CKPNERBZPSTFNK-UHFFFAOYSA-N 296.585 3.866 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc(O)c(F)c1 728439177 WSDUSGLDLZYWNJ-ZZXKWVIFSA-N 274.266 3.875 30 20 CHED C#C[C@@H](NC(=O)CC(C)(C)CC)c1ccc(Cl)cc1 811945399 UKNZCOWRZQBCBU-CQSZACIVSA-N 277.795 3.957 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1scc(C)c1Cl 488828872 FGXZXBYFHUNJJO-JTQLQIEISA-N 269.797 3.891 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCC[C@@H]1CC 489825756 OAGUWFFYFVCQDG-UONOGXRCSA-N 251.414 3.921 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 571606461 VVEHDYUDYSOIAC-MAUKXSAKSA-N 295.467 3.815 30 20 CHED CCOc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 727640625 MOEPSYZVSWQQBS-CYBMUJFWSA-N 295.338 3.875 30 20 CHED N#Cc1ccnc(NC[C@@H](c2ccccc2)C(F)(F)F)c1 574108701 YQOHLGWJVVYKNL-ZDUSSCGKSA-N 291.276 3.711 30 20 CHED COC1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCCC1 483262992 BUYCCBRBFIVIGU-MSOLQXFVSA-N 298.430 3.717 30 20 CHED C=C(CNC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1 813623291 OIQVRKGZGMFGQV-UHFFFAOYSA-N 295.169 3.765 30 20 CHED COc1ccc(O)c(C=Nc2ccc(F)c(C)c2)c1 728438115 PMOXYUNRTONJBW-UHFFFAOYSA-N 259.280 3.599 30 20 CHED C=CCNC(=O)c1ccccc1NC[C@H](CC)CC(F)F 656640820 NAXOHJIYZPPUEK-GFCCVEGCSA-N 296.361 3.696 30 20 CHED C[C@H]1CCC[C@H]1NC(=S)Nc1ccc(C#N)c(Cl)c1 729648742 SLAHREQCGRVDAR-TVQRCGJNSA-N 293.823 3.687 30 20 CHED CCC[C@@H](NC(=O)Cc1cccc(C#N)c1)C1CCCC1 579442885 RDJVIOVQQXXQCA-QGZVFWFLSA-N 284.403 3.576 30 20 CHED N#Cc1ccc(NC(=O)/C=C/c2ccsc2)c(Cl)c1 492232003 OAESDSTWWZMNCI-DUXPYHPUSA-N 288.759 3.925 30 20 CHED N#CCCC1CCN(Cc2cc(-c3ccccc3)no2)CC1 571996508 DQJCWHATEOEJFB-UHFFFAOYSA-N 295.386 3.857 30 20 CHED C=CCC1(C(=O)NCCc2cnc(C)s2)CCCCC1 827126073 WSEKGVACVWJVDG-UHFFFAOYSA-N 292.448 3.637 30 20 CHED C=CCCOC(=O)c1cnc2ccccc2c1C(F)(F)F 729888650 CKJKVWONTPPGSJ-UHFFFAOYSA-N 295.260 3.987 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(CCCCCC#N)n2)C1 589102654 CUEVRDKVVRDKCP-CHWSQXEVSA-N 261.369 3.990 30 20 CHED C=CCOc1ccc(C(=O)Oc2cccc(F)c2F)cc1 727793174 QHBGIFPOLHISIO-UHFFFAOYSA-N 290.265 3.749 30 20 CHED CCCCCCCc1nc(-c2ccnc(OC)c2)no1 733867902 FMMSGVPRNXPDQB-UHFFFAOYSA-N 275.352 3.653 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N(C)CC(C)(C)C#N 497274170 BPFMHYQYLLJKKL-HNNXBMFYSA-N 278.440 3.847 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 835076432 IYHPMZIQJYVFKC-PSTGCABASA-N 282.343 3.830 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1C 734305023 FLNLVXVNBWJCQZ-VQHVLOKHSA-N 297.310 3.813 30 20 CHED C=CC(C)(C)C(=O)O[C@H]1CCO[C@@H](c2ccc(C)cc2)C1 835251864 JMPFZAPUVKCVKL-JKSUJKDBSA-N 288.387 3.971 30 20 CHED Cc1cccc(CN(Cc2ccco2)C(=O)C#CC2CC2)c1 837334432 USCRNVVMMNAMAI-UHFFFAOYSA-N 293.366 3.530 30 20 CHED N#CC1(CCCCOC(=O)c2cnccc2Cl)CCC1 909137446 LCIBUIBNXHHFTP-UHFFFAOYSA-N 292.766 3.756 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(-c2nccs2)cc1 837322006 SJSUXAGRVXBKDS-UHFFFAOYSA-N 284.384 3.798 30 20 CHED Cc1cc(C(=O)/C=C/c2cnn(C(C)C)c2)cs1 834447558 OMYDRRGNGYZBEF-SNAWJCMRSA-N 260.362 3.730 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1cc(F)ccc1F 903033785 ABLFHHUSUUGIFP-JTQLQIEISA-N 253.292 3.530 30 20 CHED C#CCOc1ccc(CN[C@H]2CCc3ccc(C)cc32)cc1 733328206 LARMWWPBSXCGGF-FQEVSTJZSA-N 291.394 3.784 30 20 CHED C#Cc1ccc(C(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)nc1 839892577 XWEXNMVFKYHDBS-OAHLLOKOSA-N 298.430 3.740 30 20 CHED C[C@H](CSc1ccccc1)C(=O)OCCCCC#N 732389722 AYKVTNSQSJQVME-CYBMUJFWSA-N 277.389 3.652 30 20 CHED Oc1ccccc1/C=N/CC1(c2cccc(F)c2)CC1 739427754 YBJXAMBABYWKOB-YBFXNURJSA-N 269.319 3.682 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1csc(C(=O)O)c1 730148228 CKMSQMMUBMGCDQ-MVTUOISNSA-N 284.336 3.899 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cncc(F)c1 737422891 LRHGVUFRBWCOLB-UHFFFAOYSA-N 257.312 3.674 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(OCC)cc2)c1 834904325 WTYOKQPYBWYWIK-OAHLLOKOSA-N 279.383 3.917 30 20 CHED N#CC1(C(=O)OCC2CCC(F)(F)CC2)CCCCC1 837465415 GOQVBIOTVNSCEH-UHFFFAOYSA-N 285.334 3.829 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc(C)cs2)C1(C)C 915100353 WNHQEAVIPFAGEP-YNEHKIRRSA-N 288.416 3.866 30 20 CHED C#Cc1cccc(CN[C@@H](CC(C)C)c2ccccn2)c1 834903375 OWVHVERHNLXDCN-IBGZPJMESA-N 278.399 3.940 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@]1(C)CC1(Cl)Cl 830696282 DIBQGKMMVAAYTO-PWSUYJOCSA-N 276.207 3.528 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCCCCCSC)C1 595583825 VSUREZHLMDPQCZ-AWEZNQCLSA-N 284.469 3.517 30 20 CHED CCN(C(=O)C/C=C/c1ccc(C(C)C)cc1)[C@H](C)C#N 598356990 CDENQLJAEBIERM-LQYUOIDQSA-N 284.403 3.974 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1F)C1CCCC1 593518352 XPBJXMHRNACMDD-WBMJQRKESA-N 288.366 3.723 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(F)c(SC)c(F)c1 599756810 FZANMJQRNUYQKM-UHFFFAOYSA-N 298.358 3.955 30 20 CHED O=[N+]([O-])c1cccc(NN=C/C=C\c2ccc(F)cc2)c1 747742444 ACGKHNGIGXKBOD-JZDBILBQSA-N 285.278 3.845 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1ccccc1O 915051379 RQSHSUQBYQFZOD-UHFFFAOYSA-N 295.264 3.642 30 20 CHED C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@@H](C)C1(F)F 599514857 LXJZZYYQZDYKSP-GHMZBOCLSA-N 298.764 3.935 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)[C@@H]1CCCC[C@@H]1C 848413924 FNCQGHMBFSHNKA-BLLLJJGKSA-N 288.391 3.928 30 20 CHED Cc1ccc(C2(C(=O)N[C@](C)(C#N)C(C)(C)C)CCC2)cc1 591857043 DQHSALFOCYHWTH-GOSISDBHSA-N 298.430 3.861 30 20 CHED C[C@@H](NC(=O)CCCCC#N)c1cc2ccccc2o1 593955784 VXXZTHLIRUXFEI-GFCCVEGCSA-N 270.332 3.694 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1cccc(C(C)C)c1 597044513 ZCMLOJWXAWGOGH-QGZVFWFLSA-N 272.392 3.868 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@H](C)C1 593967777 YRGUGFXEIZWTIR-RVKKMQEKSA-N 298.430 3.679 30 20 CHED C[C@@H](SCCc1ccc(C#N)cc1)C(=O)OC(C)(C)C 594895112 DEURPHZAOABTLX-GFCCVEGCSA-N 291.416 3.564 30 20 CHED CCCOc1ccc(COC(=O)[C@@](C)(C#N)CC)c(C)c1 847917621 VZIPIEQALUISGV-QGZVFWFLSA-N 289.375 3.767 30 20 CHED N#CCC[C@@H](C#N)CNc1ccc(OC2CCC2)c(F)c1 748267530 QMAPKQPOGOSPNB-LBPRGKRZSA-N 287.338 3.612 30 20 CHED Cc1ccccc1O[C@@H](C)C/N=C\c1ccccc1O 741843032 IJYRONZDJBMYFN-HIXWQLQUSA-N 269.344 3.587 30 20 CHED C=C(Br)CN1CCC[C@](C)(CCC)C1 743872642 WSQJMVDHYCWCPZ-LBPRGKRZSA-N 260.219 3.797 30 20 CHED CCc1ncc(CSc2nc3c(cc2C#N)CCCC3)o1 916500676 SNYRLYNHWSNUJQ-UHFFFAOYSA-N 299.399 3.675 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 593706997 DLDWGJJYJHXXML-NEPJUHHUSA-N 284.334 3.706 30 20 CHED Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H](CC#N)C1 596841519 GUDLDRYBFXHNEP-LBPRGKRZSA-N 291.782 3.806 30 20 CHED CCCCNN=Cc1csc(-c2ccc(OC)cc2)n1 915966306 PLKWYWLESROWNU-UHFFFAOYSA-N 289.404 3.542 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1N(C)C1CCCC1 593528490 MGJYWRMQCCVGFY-ZDUSSCGKSA-N 285.391 3.554 30 20 CHED C=CCC1(C(=O)O[C@H]2C[C@H](C)C(=O)C(C)(C)C2)CCC1 847937571 AWAKPOGVFAPJLB-STQMWFEESA-N 278.392 3.670 30 20 CHED CCOc1ccccc1[C@H](C)NCCc1ccc(C#N)cc1 595055530 GEUXKEIWMPUYOF-HNNXBMFYSA-N 294.398 3.850 30 20 CHED C#C[C@H](OC(=O)C1(F)CCCCC1)c1ccccc1 842363588 LPWHECLFHIKSBR-AWEZNQCLSA-N 260.308 3.577 30 20 CHED CCC(=NNc1nc(C(F)(F)F)cs1)[C@H]1C[C@@H]1C 841629673 RMOBPRQDXKGQMY-BQBZGAKWSA-N 277.315 3.996 30 20 CHED CCC[C@H](NC(=O)CCCCCC#N)C(C)(C)C 590773353 ARAKTVUOJONAGA-ZDUSSCGKSA-N 252.402 3.791 30 20 CHED C[C@H]1CC[C@H](CCC(=O)OCCC2(C#N)CCCCC2)O1 840242487 ZKIIMQZBCUBCLL-LSDHHAIUSA-N 293.407 3.741 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C)cc1SC 841726856 NCXUYKSRFYEFPQ-UHFFFAOYSA-N 276.405 3.642 30 20 CHED CCC(=NNc1ncnc2sccc12)[C@@H]1C[C@H]1C 841615042 UZHGXIYWWDBKDF-PSASIEDQSA-N 260.366 3.525 30 20 CHED C/C(=C\C(=O)OCc1ccc(F)cc1C#N)C(C)(C)C 745596623 CKTPAITWXVJSFR-YRNVUSSQSA-N 275.323 3.733 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(Cl)cc1O 841749768 QGPJQXGGQAMFFY-JTQLQIEISA-N 271.813 3.615 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(C)(C)C#N 842741071 BSBKDFNWQRFXTQ-SDDRHHMPSA-N 251.370 3.540 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCC(C)(C)C1 597602678 YZCKRAQWYRNOBD-AWEZNQCLSA-N 276.424 3.888 30 20 CHED N#CCCCOC(=O)c1csc(C2CCCCC2)n1 840663821 AHXVXLHOXFXBMB-UHFFFAOYSA-N 278.377 3.651 30 20 CHED CC(C)CCOc1ccc(/C=C\C(=O)c2ncccn2)cc1 840721582 CWQPVAULFPROAI-TWGQIWQCSA-N 296.370 3.798 30 20 CHED CC1(C)CCCC[C@H]1C(=O)Nc1nc(Cl)c(C#N)s1 841223500 MAFVKMBPZIOPAG-QMMMGPOBSA-N 297.811 3.823 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1OC(F)F 929674921 WVULECJNFMUGSB-JTQLQIEISA-N 269.291 3.829 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCc2cc(F)ccc21 924843215 JSUMFNUILHCCMB-NHYWBVRUSA-N 260.356 3.731 30 20 CHED CC(=NN(C)[C@@H](C)CO)c1cc2c(ccc3ccccc32)o1 842543823 NQHJHSJCAOGKQU-LBPRGKRZSA-N 296.370 3.623 30 20 CHED Cc1ccc(C2CC(=NN=c3cc[nH]cc3Cl)C2)cc1 756837764 CNCVYTSMRJYLAH-UHFFFAOYSA-N 285.778 3.811 30 20 CHED C#CC[C@H](NC(=O)NC1(CC(C)C)CC1)c1ccccc1 853909275 ABVACEJFVFKAAK-INIZCTEOSA-N 284.403 3.629 30 20 CHED C/C=C/c1ccc(OC(=O)c2ccc(C#N)s2)c(OC)c1 750682066 DFTVAUMEOCLWOP-ONEGZZNKSA-N 299.351 3.881 30 20 CHED CC[C@@H]1CCCC1=NNc1ncnc2sccc12 758372052 OOPPWGGVRXFFFV-SECBINFHSA-N 260.366 3.669 30 20 CHED CCCCCCC=NNc1cnc2ccccc2n1 755682290 DGDLSZJMXXJTNP-UHFFFAOYSA-N 256.353 3.998 30 20 CHED Fc1ccc(C=NO[C@H]2CCCCO2)c(C(F)(F)F)c1 755813100 CSDPQOAWSZXCMI-LBPRGKRZSA-N 291.244 3.722 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(C)c(C)c1 853001704 XZIYSSODWIOVRQ-BQYQJAHWSA-N 268.360 3.806 30 20 CHED N#Cc1cccc(NN=C[C@H]2CCOc3ccccc32)c1 752160086 GZCUIKNLSRVHOS-CQSZACIVSA-N 277.327 3.522 30 20 CHED N#Cc1cccc(N2CCC[C@H]2c2ccc(F)c(F)c2)n1 755909809 UVNWVFRJWXGHTG-HNNXBMFYSA-N 285.297 3.573 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(F)cc2Cl)s1 750401053 UYCLKHWQBMBCMK-UHFFFAOYSA-N 295.722 3.769 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@H](C#N)C3)oc12 928226719 SUTWZVSIJPEJKI-CQSZACIVSA-N 296.370 3.734 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H](C)c1cccc(F)c1 924808072 ZCNRNFFUJCSGNH-QWHCGFSZSA-N 262.372 3.847 30 20 CHED CCc1nc(C=NNc2ccccc2Cl)cs1 755473369 UIYSHBPQUVSCMC-UHFFFAOYSA-N 265.769 3.805 30 20 CHED CCOc1ccc(C=Nc2ccc(C)cc2F)c(O)c1 920943123 NSJDGOYTKOBTDA-UHFFFAOYSA-N 273.307 3.989 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2cccc(F)c2)o1 920383984 LYIKGCDAWJJOEE-HZMBPMFUSA-N 258.296 3.988 30 20 CHED Cc1ncc(C=NNc2ccccc2F)n1-c1ccccc1 755628693 KCSDELKNLIXULX-UHFFFAOYSA-N 294.333 3.766 30 20 CHED CC[C@@]1(C)CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 758398158 ULACJKKNJRILIL-SFHVURJKSA-N 294.402 3.501 30 20 CHED CCCCCCCCNC(=O)CSc1ccncc1 754851026 RZLUZQWTOHCZMA-UHFFFAOYSA-N 280.437 3.650 30 20 CHED CCC(CC)CN(CC)C(=O)Nc1ccc(C#N)cc1 48682944 JRZPLFZOQVGVOH-UHFFFAOYSA-N 273.380 3.848 30 20 CHED C=CCC[C@H](Nc1ccc2c(c1)C[C@H](OC)C2)C1CC1 760884878 JDKRDYQOITYZBZ-MSOLQXFVSA-N 271.404 3.957 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@H](C)CC(C)(C)C#N)c1 860870448 PTSCEXUZLSLEAZ-VNQPRFMTSA-N 285.387 3.970 30 20 CHED N#C[C@H](CCc1ccccc1)SC(=S)N1CCCC1 865347078 RNEPRBNZSFQHPN-AWEZNQCLSA-N 290.457 3.625 30 20 CHED CC(C)O[C@@H]1CC(=NNc2ccc3[nH]ncc3c2)C1(C)C 764907997 ROIIUVZQSZRLAT-OAHLLOKOSA-N 286.379 3.554 30 20 CHED CC(=O)c1c(C)cc(C)c(CN2CCC[C@H](C#N)C2)c1C 932162589 WXEWGMCKQCMYLG-MRXNPFEDSA-N 284.403 3.550 30 20 CHED CC#CCCOC(=O)C[C@H](CC)c1ccc(OC)cc1 760295748 PESOVUJEXCTJHY-AWEZNQCLSA-N 274.360 3.536 30 20 CHED C#C[C@H](CC)OC(=O)c1cncc(-c2ccc(Cl)cc2)c1 768040142 HKCVOBSTRMDKQO-MRXNPFEDSA-N 299.757 3.971 30 20 CHED Cc1cccc(NN=Cc2ccccc2OC(C)C)n1 863162072 RRCSNZHVBNAEPM-UHFFFAOYSA-N 269.348 3.623 30 20 CHED C=CC[C@H]1N(C(=O)c2cc3occc3[nH]2)CCCC1(C)C 769639665 BHRXLHAZDAQYIS-OAHLLOKOSA-N 286.375 3.968 30 20 CHED C/C=C(/C=C\C(=O)N[C@](C)(C#N)C1CCCCC1)CC 765554369 RTIUHKYFYVEKHD-FGNUVIHBSA-N 274.408 3.878 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 933865500 VYEXKCBAHMBXKP-HUUCEWRRSA-N 297.402 3.652 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNc1nc(-c2ccncc2)no1 769576216 UYYUEDCIZKFMAZ-VXGBXAGGSA-N 299.378 3.746 30 20 CHED C#CCCCC(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 760208845 QPIKYRCKVWATHN-SFHVURJKSA-N 283.415 3.580 30 20 CHED CCCCCCCNC(=O)c1cc(F)c(F)c(O)c1F 862357944 NQQLUKSYECWUNM-UHFFFAOYSA-N 289.297 3.510 30 20 CHED C[C@@H](CCC1CC1)NC(=O)c1ccccc1SCC#N 769401181 JQJXXKGHPAZYGH-LBPRGKRZSA-N 288.416 3.611 30 20 CHED COc1ccsc1C(C)=NN=c1cc[nH]c2ccccc12 769779520 LGISVJXWCCOQDT-UHFFFAOYSA-N 297.383 3.563 30 20 CHED Cc1ccc(C(C)(C)CNc2c(C#N)cccc2C#N)nc1 1118865001 WGLMTJFDKFPXMB-UHFFFAOYSA-N 290.370 3.523 30 20 CHED C[C@H]1CCN(C(=O)CC#Cc2ccccc2)c2ccccc21 1116270650 DRZNURIGKVINDN-INIZCTEOSA-N 289.378 3.969 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(C)cc(Cl)cc1C 1118797502 OOEZBYQMEKNTNY-UHFFFAOYSA-N 266.772 3.997 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C\c1ccccc1 778984173 AASYTUZSFCDNBL-KHPPLWFESA-N 281.355 3.550 30 20 CHED Cc1ccccc1-c1cccc(C=Nn2ccccc2=O)c1 776793280 ZMKXNKMCXUBITB-UHFFFAOYSA-N 288.350 3.706 30 20 CHED Cc1cccnc1CSCCCOc1ccc(C#N)cc1 1116492987 JNGUNZNSZBLOST-UHFFFAOYSA-N 298.411 3.964 30 20 CHED N#Cc1csc(C(=O)O[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 771010666 RJLHPDZHUKZBJP-FRRDWIJNSA-N 275.373 3.745 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1cc(C)cc(C)c1 1116004688 JMQMXXKHHIELJO-ALCCZGGFSA-N 282.339 3.914 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CNCc1cc(C#N)ccc1F 775311518 UOHPOEHOXQPIOP-CJNGLKHVSA-N 272.367 3.779 30 20 CHED CCCCCCCOC(=O)C1(CC)CCOCC1 778881755 WMYXAGXTPIRLCN-UHFFFAOYSA-N 256.386 3.707 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 776390987 ITXPHCAHXCWWKC-QFBILLFUSA-N 297.398 3.764 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 770009801 OEIWAVTVJPLGFQ-UHFFFAOYSA-N 297.742 3.678 30 20 CHED CC(=NNc1nccnc1C(C)C)c1cc(F)ccc1F 773085866 MVGGCVDIAGMLKF-UHFFFAOYSA-N 290.317 3.714 30 20 CHED CCC[C@H](C)OC(=O)c1ccc(C#N)c(Cl)c1 778542018 DDCJREIDDYHPHV-VIFPVBQESA-N 251.713 3.557 30 20 CHED CCCCCCCCNCc1ccc(Cl)nn1 876899405 XDJLXYDAFKKDCF-UHFFFAOYSA-N 255.793 3.580 30 20 CHED CCCCCCCCC(=O)NC1CCC(O)(CC)CC1 772875033 BLRZIVRQCJBJKH-UHFFFAOYSA-N 283.456 3.937 30 20 CHED C=CCC[C@@H](CC)NCc1cc(OCC(F)F)ccn1 1116496987 AVTYYEPLFKTMNC-GFCCVEGCSA-N 284.350 3.560 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=Cc1cnn(C(C)C)c1 777448351 NPGGFDSMKUVDEC-GOSISDBHSA-N 298.434 3.655 30 20 CHED Cc1ccnc(Cl)c1OCc1ccc(F)cc1C#N 771474150 XSTXFGRVPIISON-UHFFFAOYSA-N 276.698 3.633 30 20 CHED N#Cc1ccc(OCCCOC(=O)C[C@@H]2C=CCCC2)cc1 778390726 BUDOCRJRVAYJFQ-OAHLLOKOSA-N 299.370 3.617 30 20 CHED CCc1cnccc1[C@H](C)/N=C/c1cc(OC)ccc1O 773148204 JILZMSUMSSMMGH-MKFNJMOCSA-N 284.359 3.538 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccc(C#N)cc1F 772798778 YEKFUTVXZXCOLL-VOTSOKGWSA-N 295.313 3.911 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(-c2ccccc2)cc1F 770165097 ANSMBBWMHPHUFD-ZDUSSCGKSA-N 296.345 3.978 30 20 CHED N#CC[C@@H](C(=O)Nc1cccc2cc[nH]c12)c1ccccc1 1128250153 NGHQLHVPJGGMNK-OAHLLOKOSA-N 289.338 3.804 30 20 CHED C#CCCCCC(=O)N(C)Cc1ccc2ccccc2c1 773201028 OEWBFPACXJPSJI-UHFFFAOYSA-N 279.383 3.992 30 20 CHED Cc1cc(C(=O)O[C@H](C#N)C2CCCCC2)c(F)cc1F 776393715 JRHRUAJZFFDDJC-OAHLLOKOSA-N 293.313 3.903 30 20 CHED Cc1cc(O)c(CNc2cccc(OCC#N)c2)cc1C 779589192 YVGJVAQHOCZDHC-UHFFFAOYSA-N 282.343 3.524 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccnc(Cl)c1 779461157 WHVGOMWTUVWAEC-ZZXKWVIFSA-N 288.690 3.539 30 20 CHED CC(C)CN(CCC#N)C(=O)CCc1ccc(Cl)cc1 789889345 LGJNUCKDOFQKAA-UHFFFAOYSA-N 292.810 3.671 30 20 CHED C#CCCCOC(=O)CCC[C@H](C)c1cccc(OC)c1 789050128 ZQVPLNLJLZHOTO-HNNXBMFYSA-N 288.387 3.926 30 20 CHED CCCn1c(C(=O)OCC2(C#N)CCC2)cc2ccccc21 786975744 XDXOUGSFCDYWII-UHFFFAOYSA-N 296.370 3.902 30 20 CHED C=C(CC(C)C)C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 1123793717 UHFWRZIDSCAFIV-HNNXBMFYSA-N 272.392 3.593 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1csc(CCC)n1 785752888 HVIFIWUGLVADRN-CQSZACIVSA-N 267.394 3.741 30 20 CHED N#CC1(CCCCS(=O)(=O)Cc2ccsc2)CCC1 899979972 MPCDYBLZQWIQRF-UHFFFAOYSA-N 297.445 3.527 30 20 CHED C#CCC1(C(=O)OC[C@H]2CC2(Cl)Cl)CCCCC1 788217641 IKXNMBCSISRNNI-LLVKDONJSA-N 289.202 3.697 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)NC1CCCC1 782909049 AGOSQBCJIVKGMM-UHFFFAOYSA-N 288.391 3.649 30 20 CHED C[C@@H]1CC[C@H](C(=O)OCc2ccc(C#N)cc2Cl)C1 784241374 JWLCZSSJOXVMBO-PWSUYJOCSA-N 277.751 3.691 30 20 CHED COc1ccc(NN=C[C@@H](C)c2cccc(Cl)c2)nc1 780275858 HDNVUROGUHGKBX-LLVKDONJSA-N 289.766 3.945 30 20 CHED CCCCCCCCc1nc(-c2cccnc2O)no1 896957265 UJJCFORUJZXDLH-UHFFFAOYSA-N 275.352 3.740 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 1138967053 XULLHZQYLZHVHA-WFASDCNBSA-N 297.402 3.897 30 20 CHED C#CCCCc1nc(-c2ccc(F)cc2C(F)(F)F)no1 795692212 DMNLGPXCIJUAHH-UHFFFAOYSA-N 298.239 3.850 30 20 CHED Cc1ccnc2ccc(C(=O)N(CCC#N)CC(C)C)cc12 795753025 ZQBOCXCZWLFRJF-UHFFFAOYSA-N 295.386 3.555 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc3ccncc3s2)c1 1132226007 QDIILFDZMSEGHK-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C=CCC[C@H](C)NC[C@@H](O)c1cccc(C(F)(F)F)c1 186003442 XOXSZJDINJRVEN-SMDDNHRTSA-N 287.325 3.683 30 20 CHED CS[C@H]1CCCCN(Cc2ccc(C#N)cc2C)C1 186309806 UXPXXDXKHLGORP-INIZCTEOSA-N 274.433 3.584 30 20 CHED CN(Cc1ccsc1)c1nc2ccccc2cc1C#N 71389795 QOCZNFWZOABMQE-UHFFFAOYSA-N 279.368 3.804 30 20 CHED O=C1/C(=C/c2ccccc2F)COc2cc(F)ccc21 794728927 XGDQXWCUPVDHNZ-YRNVUSSQSA-N 272.250 3.624 30 20 CHED CCCCCCCNCc1nccn1CC(F)(F)F 729677207 HZGROXLEUXWKMM-UHFFFAOYSA-N 277.334 3.505 30 20 CHED CCc1ccc([C@H](C)Nc2ccnc(C#N)c2)cc1 61811789 YBSUFBMFIFCKBR-LBPRGKRZSA-N 251.333 3.689 30 20 CHED C#CCOc1cccc(NC(=O)c2cccc(Cl)c2)c1 730977554 GBLFFSOEDIQZJR-UHFFFAOYSA-N 285.730 3.604 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cc(Cl)ccc1Cl 797268306 TTXPLYIYHGFMQH-ZDUSSCGKSA-N 286.158 3.976 30 20 CHED CSCCON=C1CCCc2cc(SC)ccc21 794574067 SLVTXPOJMDNYFF-UHFFFAOYSA-N 281.446 3.829 30 20 CHED CC1(C)C[C@@H](OC(=O)c2ccc(C#N)o2)c2ccccc2O1 797243349 LXOBRXIYGWUQDZ-OAHLLOKOSA-N 297.310 3.610 30 20 CHED CCc1cccnc1C(C)=NNc1cccc(Cl)n1 793174952 OKLABLNVQWWXSS-UHFFFAOYSA-N 274.755 3.529 30 20 CHED CC1(C)CCc2ccccc2C(=NOC[C@@H]2CCOC2)C1 797788974 WBGZTIIAAGPMRY-CQSZACIVSA-N 287.403 3.806 30 20 CHED Cc1coc(C)c1C(=O)OCc1ccc(C#N)cc1Cl 792775158 CXHNRBVYGVYVPU-UHFFFAOYSA-N 289.718 3.779 30 20 CHED C=CCCCOC(=O)COc1cc(Cl)ccc1Cl 735528449 RNVOKXVBPQRWRB-UHFFFAOYSA-N 289.158 3.882 30 20 CHED N#CC1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 193732306 IESZYYVMDDYWMK-UHFFFAOYSA-N 298.173 3.761 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1ccnc(O)c1 791433137 QBUJHJBULZQGDZ-ZXAHDXGASA-N 265.312 3.630 30 20 CHED COc1cccc(NN=C[C@H](OC(C)C)c2ccccc2)n1 793040934 ZEWHLNCNEDNDNI-HNNXBMFYSA-N 299.374 3.654 30 20 CHED Cn1cc(NN=C2CC(C)(C)CCc3ccccc32)cn1 797788723 SPQPZMPRJPSUIL-UHFFFAOYSA-N 282.391 3.599 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccccc1CC 798375099 DWSYFZGWBRDLDC-CYBMUJFWSA-N 262.422 3.890 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 593636214 KYJQPIQTIICGHT-MCIONIFRSA-N 264.413 3.647 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1ccc(Cl)s1 695865022 QKKFEYKOFDZKCA-JTQLQIEISA-N 270.829 3.862 30 20 CHED C[C@@H]1CCSCCN1Cc1ccc(Cl)cc1C#N 1307740915 WYGJFVGXZZKKMP-LLVKDONJSA-N 280.824 3.539 30 20 CHED C=CCCOCC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 1319543619 UZOVVXZMPVMWFG-HKUYNNGSSA-N 299.414 3.507 30 20 CHED CC[C@H](Nc1ccccc1)C(=O)Nc1cc(C)cc(C#N)c1 1161463768 ZIMLIESSKAHDRS-KRWDZBQOSA-N 293.370 3.696 30 20 CHED C=C(CC)COC(=O)[C@H](C)c1ccc(F)cc1F 1320021671 BEWQGCOEAXQDCA-SNVBAGLBSA-N 254.276 3.578 30 20 CHED Nc1ccc(C=NNc2ccc(F)cc2F)cc1Cl 1324366058 QOQVIPYMLVRBFN-UHFFFAOYSA-N 281.693 3.646 30 20 CHED C=CC(C)(C)c1nnc([C@@H](C)Oc2ccccc2F)o1 1326971367 RUDMXKMBJIEGNB-SNVBAGLBSA-N 276.311 3.812 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2c2cccc(CC#N)n2)C1 1327605286 XEAMUBHCWLFVFW-WMLDXEAASA-N 269.392 3.553 30 20 CHED C=C(C)CCC(=O)N1CCn2cccc2[C@H]1c1ccccc1 1337087778 MTPCSSNKAABNQU-LJQANCHMSA-N 294.398 3.776 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)C1(C#N)CCCC1 1251301677 OTKUVGBNOJFKDX-OWCLPIDISA-N 290.451 3.895 30 20 CHED N#Cc1cccc(Sc2nc(C#N)c(Cl)s2)c1 1185666974 HXADRXGJJAGQFF-UHFFFAOYSA-N 277.761 3.691 30 20 CHED C[C@H](CC#N)N(C)C(=O)C(C)(C)c1cccc2ccccc12 1339290237 FAHNGRJPJFRTIS-CQSZACIVSA-N 294.398 3.878 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)c(OC)c2)cc1 1253612826 RQGKOUVKBGTPKJ-WMZJFQQLSA-N 286.302 3.739 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C3CCCCC3)n2C)C1 1339608861 FTTRHPMUPJKZPQ-AWEZNQCLSA-N 288.439 3.655 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)c1nc(C)cs1 1336761184 XYIDTGOPJZDBJQ-QWHCGFSZSA-N 278.421 3.512 30 20 CHED C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)c1cccs1 1269290264 UUJIJIOODFASPX-GXTWGEPZSA-N 284.384 3.623 30 20 CHED CCCC[C@H](CC)CNC(=O)c1cccc(C#N)c1C 1348751954 WGJIMLUCEZQCEG-AWEZNQCLSA-N 272.392 3.813 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C(C)(C)c1ccc2ccccc2c1 1355144304 NJSJVHXKVQPCEP-AWEZNQCLSA-N 294.398 3.878 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1cccc(OCC#N)c1 1357281580 ZFWBLTDEXBJPTK-AWEZNQCLSA-N 294.354 3.640 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2cccc(C(F)F)c2)c1 1360056853 KSTBPAWEICMXPX-UHFFFAOYSA-N 290.244 3.887 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)c1ccn(C)c1)c1cccs1 1519364031 HJYXCZRPTUFMJB-BXUZGUMPSA-N 288.372 3.534 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)C1CC(F)(F)C1)c1cccs1 1515586556 CHIBXBPGGLYICO-SKDRFNHKSA-N 299.342 3.927 30 20 CHED COc1c(F)cc(N[C@@H](C)CC(C)(C)C#N)cc1F 925772059 PQNRUUDGRPAKKI-VIFPVBQESA-N 268.307 3.714 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)cc1F 1525584141 ITNVOBPHPIEBNE-BBRMVZONSA-N 288.366 3.738 30 20 CHED C=C[C@@H](SCc1cccc2ccccc12)C(=O)O 1609287190 HVHNWUPOJQMJJO-CQSZACIVSA-N 258.342 3.712 30 20 CHED CCCc1c(NC[C@@H]2C[C@H]2C)cnn1-c1cccc(C#N)c1 1462122355 RGAGZLFCVUCRTE-HIFRSBDPSA-N 294.402 3.764 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OC)c(C#N)c1 1532696283 IOAIWRJBARYOJS-SWLSCSKDSA-N 286.375 3.722 30 20 CHED C=C(Cl)CNCc1cnc(-c2ccc(C)cc2)s1 1474018503 RHRHJTXHPNVJLR-UHFFFAOYSA-N 278.808 3.961 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1 1476707781 PYKAZKCNXJFBSQ-DGCLKSJQSA-N 289.354 3.788 30 20 CHED Cc1ccc2c(c1)CCN2[C@@H](C)c1ccc(C#N)cc1 1617707204 FUVYLQRGNWUGOG-AWEZNQCLSA-N 262.356 3.990 30 20 CHED CCc1nc(C#N)cc(NCc2c(C)oc3ccccc23)n1 1559159414 GWAUAPUARWWCFY-UHFFFAOYSA-N 292.342 3.577 30 20 CHED CC[C@@H]1CCC[C@@H]1CNc1ncc(C#N)cc1Cl 1559193023 PEUHQKFZZJQINW-VXGBXAGGSA-N 263.772 3.845 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2ccccc2C)cc1 5156272 PIUDXFIVGJWTNM-FMIVXFBMSA-N 280.323 3.678 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc(C2CC2)cc1 1637515736 QKLXBOUDMDDWMU-UHFFFAOYSA-N 276.339 3.882 30 20 CHED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccc(C#N)cc1 1639349675 QKKZIMBLZRIUIE-MRVPVSSYSA-N 288.763 3.713 30 20 CHED Cc1ccc(C[C@@H](C)Nc2ccc(C#N)c(C)n2)c(C)c1 1650750563 ODHMUXNIIJESAR-CQSZACIVSA-N 279.387 3.922 30 20 CHED C=CC[C@H](S[C@@H](C)c1cccc(OC)c1)C(=O)O 1588758271 FHMCGLZDFKEPMA-GWCFXTLKSA-N 266.362 3.519 30 20 CHED CCc1ccccc1CNC(=O)Nc1sccc1C#N 1671449504 JAGFOQBSYACBRU-UHFFFAOYSA-N 285.372 3.504 30 20 CHED C[C@@H]1Cc2ccccc2C(=O)/C1=C/c1ccc(C(=O)O)cc1 1776665933 LIPIKKCJBYBWMG-PBSOMRJOSA-N 292.334 3.843 30 20 CHED Cc1ccoc1C(=O)/C=C/c1c[nH]c2ccc(C(=O)O)cc12 1777476704 XARVMHORZHJOHV-HWKANZROSA-N 295.294 3.664 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)c1cc(C)ccc1C 1776083543 MFRBPCDUPBRUKC-UHFFFAOYSA-N 296.370 3.767 30 20 CHED Cc1ccc(Nc2nnc(SCCC#N)s2)cc1C 5624084 ZVVVUEPEBPKJSG-UHFFFAOYSA-N 290.417 3.904 30 20 CHED C=CCN(C)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 161766704 CGKLBCDQSIQIMH-AWEZNQCLSA-N 275.392 3.530 30 20 CHED COc1ccc(Cl)c(NCc2ccc(F)c(C#N)c2)c1 124226512 OSYRSYLYZICGBZ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc3c(c2)CCC3)CC1 152972744 XINNBQKZWRWXBQ-MRXNPFEDSA-N 298.474 3.866 30 20 CHED C[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 157683865 MGHKJLXEVDYWPU-HNNXBMFYSA-N 272.392 3.601 30 20 CHED O=C1/C(=C\c2ccsc2)CCc2cc(O)ccc21 207933658 HQIBSLWOISHMAK-GHXNOFRVSA-N 256.326 3.666 30 20 CHED N#Cc1ccccc1CN1CC[C@@H]2CCCC[C@H]2C1 250077291 FSIMXDFYCROOJS-HOCLYGCPSA-N 254.377 3.570 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@@H](C#N)C1CCCCC1 40360125 WCVBVJPNOKOSCM-HIFRSBDPSA-N 264.413 3.791 30 20 CHED CC(C)(C)c1csc(NC(=O)C2(C#N)CCCCC2)n1 44385495 BAEWZRMEOIEORU-UHFFFAOYSA-N 291.420 3.853 30 20 CHED CCC(C)(C)C(=O)Nc1ccc(C#N)c(Br)c1 310146675 FVJAPQAAJWURGV-UHFFFAOYSA-N 295.180 3.695 30 20 CHED Cc1cccc(CNc2nc(C)c(C#N)cc2Cl)c1 311468830 OALPBFZUYDBMPS-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C=CCC(C)(C)CNCc1ccc([N+](=O)[O-])cc1Cl 312028022 MUTFEBHJNZHTBC-UHFFFAOYSA-N 282.771 3.940 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccccc1C(F)(F)F 320270826 LLPMITVXNIIOMV-NEPJUHHUSA-N 287.325 3.683 30 20 CHED C=CCC[C@H](CO)N[C@@H]1C[C@H](C)Sc2sccc21 320804721 WGIIJAFHATZGJK-DMDPSCGWSA-N 283.462 3.590 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c2ncccc12 588840911 JYGTUMHMOOGAPN-HNNXBMFYSA-N 287.750 3.767 30 20 CHED Cc1nc(N2CC(C)(C)C2(C)C)c(Cl)cc1C#N 690295293 UEDITUHKMBOXKA-UHFFFAOYSA-N 263.772 3.540 30 20 CHED CCOC1CCC(N[C@H](C)c2ccc(C#N)cc2)CC1 595005200 DXJQPSQBUXJQQU-NVPAJSRCSA-N 272.392 3.557 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC)c(Br)c1 393780300 JGBPKXINQFKMNA-LBPRGKRZSA-N 298.224 3.902 30 20 CHED C[C@@H]1CC[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)O1 397963273 WFVMYQXSWHNGQT-BXKDBHETSA-N 284.281 3.556 30 20 CHED Cc1ccc(NCc2ccc(CC#N)cc2)c(F)c1 398968908 UJIPGYRGGZCULK-UHFFFAOYSA-N 254.308 3.812 30 20 CHED CCC[C@@H](CC)NCc1ccc(O[C@@H](C)C#N)cc1 105461995 GAUIZDWMHIZLFG-DZGCQCFKSA-N 260.381 3.646 30 20 CHED CCN(CCC#N)C(=O)CCc1ccc(C(C)(C)C)cc1 103208383 GRZOCNLSFZLMBL-UHFFFAOYSA-N 286.419 3.679 30 20 CHED Cc1cc(C)c(CC(=O)N(C)c2cccc(C#N)c2)c(C)c1 179856372 MDHRGZBRZPMEJN-UHFFFAOYSA-N 292.382 3.689 30 20 CHED C[C@@H](NC(=O)Nc1cccc(C#N)c1)C1CCCCC1 465997573 WXSPRJYAGUVOHI-GFCCVEGCSA-N 271.364 3.649 30 20 CHED C[C@H]1C[C@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 105437554 JLEUIOVZNBFDRE-IFXJQAMLSA-N 292.382 3.635 30 20 CHED N#Cc1csc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1 176836805 JFOGCADMRUIWLR-XGICHPGQSA-N 286.743 3.766 30 20 CHED C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1ccccc1F 50874678 HBRHPZUJJUPEII-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED N#Cc1ccc(C(=O)N(c2ccccc2)C2CCCC2)nc1 108744667 GMEMNBQHZIVCKH-UHFFFAOYSA-N 291.354 3.543 30 20 CHED Cc1ccccc1C1(CNCc2ccc(C#N)cc2)CC1 102434243 MATBWJWCZCANTL-UHFFFAOYSA-N 276.383 3.688 30 20 CHED C=CCCOC(=O)Cc1csc(-c2cccc(F)c2)n1 103650760 HMUAITJQVPZPNN-UHFFFAOYSA-N 291.347 3.611 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1ccc(Cl)nc1 179410396 KTWFJONHXCXRTR-GORDUTHDSA-N 279.673 3.909 30 20 CHED C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccccc1F 174263411 UPLKTYSPDWNOTA-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED Cc1c(C#N)cccc1NC(=O)CC1CCCCC1 178385197 ABDNERMSRBLHGI-UHFFFAOYSA-N 256.349 3.776 30 20 CHED N#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1 176081850 FXYLHKIIBUZOGO-KURKYZTESA-N 291.350 3.789 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 176801512 JRSAHURDUCPKCR-GOSISDBHSA-N 280.346 3.817 30 20 CHED CC[C@H]1[C@H](C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 409732764 VSXPSTCEVUFXFZ-SKDRFNHKSA-N 283.297 3.597 30 20 CHED CC(C)(C#N)CCCN1CCCN(c2ccccc2)CC1 174830715 RIUZVRHSFJOLNK-UHFFFAOYSA-N 285.435 3.529 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 175180036 QVYGDGDFOHVSTE-MRXNPFEDSA-N 273.376 3.715 30 20 CHED C/C(=C\C(=O)Nc1ccccc1C#N)c1ccc(F)cc1 171294298 VXTRMJZZQUFHHJ-ZRDIBKRKSA-N 280.302 3.739 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)o1 136160597 OQUKOMLSGYPHQC-PXAZEXFGSA-N 266.344 3.564 30 20 CHED Cc1nc(CNc2cccc(C#N)c2C)sc1C 179053694 DICPKSCXVHNJHD-UHFFFAOYSA-N 257.362 3.552 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H](c2cccnc2)C(C)C)c1 177545149 MPOZDHLRSAKSJL-MLHZQLSASA-N 298.386 3.655 30 20 CHED C/C(=C\C(=O)O[C@H](CC#N)c1ccco1)C(C)(C)C 1346706169 HHQFMDBYUFWGAV-OCHBPSSRSA-N 261.321 3.770 30 20 CHED N#CCCCOc1cccc(/C=C/C(=O)c2ccco2)c1 118968818 KERYGPYRTGFMRI-CMDGGOBGSA-N 281.311 3.858 30 20 CHED CC(C)(C#N)CCCOc1c(Cl)cccc1[N+](=O)[O-] 130730962 BEJCDOFPOKRYAS-UHFFFAOYSA-N 282.727 3.957 30 20 CHED COc1cc(C)ccc1C/N=C(/N)Nc1cc(C)cc(C)c1 304996917 MIIDUQZQFMQZKZ-UHFFFAOYSA-N 297.402 3.547 30 20 CHED Cc1cc2[nH]ncc2cc1Nc1ncc(C#N)cc1Cl 302727132 PVTUXGYGPIPZGP-UHFFFAOYSA-N 283.722 3.535 30 20 CHED CC(C)[C@H]1CCC[C@@H](NCc2ccc(C#N)o2)CC1 469567550 UMLDZPJVNCPTPD-UONOGXRCSA-N 260.381 3.846 30 20 CHED CC(C)[C@@H](CNc1ccc(F)cc1C#N)c1cccnc1 301591727 UGZHRJNTWFFEOX-MRXNPFEDSA-N 283.350 3.944 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 122401646 DLEYXMQMDWEBIS-CQSZACIVSA-N 290.432 3.855 30 20 CHED COC1(C(=O)Nc2sc(C)c(C)c2C#N)CCCCC1 408349830 MJQUQUDKLOLEBS-UHFFFAOYSA-N 292.404 3.524 30 20 CHED C=C(CC)C(=O)Nc1cnn(CCCC)c1C(C)C 1347405880 PRPQWZRERYEHCP-UHFFFAOYSA-N 263.385 3.711 30 20 CHED N#Cc1ccc(CNc2ccc(-n3cccn3)c(Cl)c2)o1 129515265 BNBZKEMXUOABBZ-UHFFFAOYSA-N 298.733 3.602 30 20 CHED C=CCOc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1 36398598 ALGDTZJFOIUPRT-LICLKQGHSA-N 294.306 3.573 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 120217388 PBQDBPFDWLEOHC-SFHVURJKSA-N 285.431 3.968 30 20 CHED N#CCCCN1CCCc2cc(Br)ccc21 123003332 JAXNLVBGOCPXOG-UHFFFAOYSA-N 279.181 3.505 30 20 CHED C=C(Br)CN(C)c1ccc(C)cc1C 306870239 SVEOEIKUIXDBBO-UHFFFAOYSA-N 254.171 3.648 30 20 CHED CC#CCCCC(=O)N1CCC(CCC(C)C)CC1 185850378 AZNMAIUNBBEQJF-UHFFFAOYSA-N 263.425 3.855 30 20 CHED COc1ccc([C@@H](C)CCNc2cccc(C#N)n2)cc1 301440245 UCUIKMLXTBUNCH-ZDUSSCGKSA-N 281.359 3.568 30 20 CHED CCCN(C)C(=O)c1ccccc1Oc1ccccc1C#N 182652392 NBKNBKPVXVODIQ-UHFFFAOYSA-N 294.354 3.833 30 20 CHED CC1(C)CCC(C(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 434013200 SCFIFIMCSNWQAI-CQSZACIVSA-N 276.424 3.744 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1coc2ccccc12 189916823 QTUOIDMKVYRWBF-UHFFFAOYSA-N 284.359 3.977 30 20 CHED C=C(Cl)CN[C@H](C)c1cc(Cl)ccc1OC 129771367 IAKVBDFLUKDIEN-SECBINFHSA-N 260.164 3.752 30 20 CHED N#Cc1c(F)cccc1Nc1cccc(N2CCCC2=O)c1 72073031 DEGPNCSEKMSMSP-UHFFFAOYSA-N 295.317 3.568 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2ccsc2)c1 213899187 SGWWZWKSFUIWFD-HYXAFXHYSA-N 274.341 3.661 30 20 CHED CCOc1cccc([C@H](C)Nc2ncc(C#N)cc2F)c1 413094969 LWZBTABEMVQYBE-NSHDSACASA-N 285.322 3.664 30 20 CHED C[C@H](SCc1ccccc1)C(=O)Oc1ccc(C#N)cc1 128311796 BRHYHLSYHRXRMO-ZDUSSCGKSA-N 297.379 3.786 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCOc2c(F)cccc21 188050873 MFDRDXDZRCFJKB-HUBLWGQQSA-N 263.356 3.840 30 20 CHED CC[C@@H](CC#N)NCc1cc(-c2ccncc2)ccc1OC 187395882 DMRRHHCWGMOWBI-KRWDZBQOSA-N 295.386 3.539 30 20 CHED Cc1nc(NCC(C)(C)CC#N)c2c(C)csc2n1 413417121 YLFSFYWZWYIPHX-UHFFFAOYSA-N 274.393 3.660 30 20 CHED CC1(C[S@](=O)Cc2ccccc2C#N)CCCCC1 414287755 UOFIXWUMHBGPGF-LJQANCHMSA-N 275.417 3.777 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)N(C)c1ccccc1C#N 508083032 AAFGSKIXUVVSIE-CYBMUJFWSA-N 296.345 3.539 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C#N)c1 127026313 ZFBXIAYFFKYNAO-DLBZAZTESA-N 276.339 3.609 30 20 CHED CC(C)c1ccc(C(=O)NCc2cccc(C#N)c2)s1 185543300 QEBCNPFBUBVLKK-UHFFFAOYSA-N 284.384 3.673 30 20 CHED CCOc1ccccc1C1=CCN([C@H](C)CCC#N)CC1 411195553 SWFRDKZSWRRJJT-OAHLLOKOSA-N 284.403 3.867 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc2cc(Cl)ccc2o1 410825324 FRTDIBUNCWZQLD-LBPRGKRZSA-N 290.750 3.850 30 20 CHED CCCN(CCC)C(=O)c1cccc(SCC#N)c1 79396057 CCLVTNDCJGRSCD-UHFFFAOYSA-N 276.405 3.564 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(F)c(F)c1C)OCC 412967488 XBLWZTUNJTXZHK-ZDUSSCGKSA-N 283.318 3.583 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]1C(C)C 413841867 XLVBJRDJNFNRON-IRXDYDNUSA-N 286.419 3.614 30 20 CHED C=CCC[C@H](C)N[C@H](c1noc(C)n1)c1ccccc1F 186315388 YYWUITXJJJROMV-NHYWBVRUSA-N 289.354 3.551 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2OC)c(OC)c1 31501087 OESXCRLMOFOGIN-FLIBITNWSA-N 298.338 3.609 30 20 CHED Cc1cc(NC(=O)Nc2ccc(C#N)cc2)ccc1N(C)C 78650460 IEZYOCRCPWWZLC-UHFFFAOYSA-N 294.358 3.577 30 20 CHED C=CCNC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 72055300 QUIPJYCGTZTHKK-UHFFFAOYSA-N 293.798 3.638 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2ccccc2C1 189340403 PBGPULNHLKDZRF-AWEZNQCLSA-N 262.356 3.678 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1cc(F)ccc1F 185263563 VAZRPJMAYWNBCQ-LLVKDONJSA-N 266.287 3.763 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N1CCc2cc(C#N)ccc21 416009954 GHEVNHMLRWDUER-GDBMZVCRSA-N 282.387 3.664 30 20 CHED CC(C)[C@H]1C[C@H](Nc2cccc(Cl)c2C#N)CCO1 450426145 VVCBNWPUBWEKIE-IAQYHMDHSA-N 278.783 3.827 30 20 CHED C=C(C)CN(C)C(=O)c1sc(-c2ccccc2)nc1C 180443293 FPQHLMQMWRJBCD-UHFFFAOYSA-N 286.400 3.767 30 20 CHED COc1ccc(F)cc1[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 185784020 FIWLADCLMTYART-DYEKYZERSA-N 276.355 3.567 30 20 CHED C[C@@H](SCC[C@H]1CCOC1)c1ccc(C#N)cc1 419433163 ZBCRZERVNNINRY-TZMCWYRMSA-N 261.390 3.779 30 20 CHED CC(C)(C#N)CCCNc1ccc(Cl)c([N+](=O)[O-])c1 133633868 WIKFIPATMKNSEZ-UHFFFAOYSA-N 281.743 3.990 30 20 CHED N#CCCN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 411820307 RKUOSLKBRJNGSP-AWEZNQCLSA-N 288.782 3.657 30 20 CHED C[C@@H]1CCCN(Cc2cc(C#N)ccc2Br)C1 191773551 GMUQALOUKCFSKS-LLVKDONJSA-N 293.208 3.553 30 20 CHED CCc1ccc(CN(C)c2ncc(C#N)cc2Cl)cc1 524233731 VJLUOOHKFWXHGE-UHFFFAOYSA-N 285.778 3.805 30 20 CHED O/C(=N/CCC1CCCC1)c1cc2nc[nH]c2cc1F 329207588 BJBOHNNBAFUGNM-UHFFFAOYSA-N 275.327 3.587 30 20 CHED CC(C)(C#N)CCOc1ccc2c(c1)OC(C)(C)CC2=O 87592219 BQOGBMZWGDTONI-UHFFFAOYSA-N 287.359 3.749 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2csc(CC)n2)CCC1 191597750 FEPJWBDPSWNKDL-LLVKDONJSA-N 278.421 3.629 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccccc1C#N 194589523 QSJKQQPWCOXUKX-VQHVLOKHSA-N 265.287 3.902 30 20 CHED CCc1nc(CC/N=C(/O)C[C@H]2CCCCC2(C)C)no1 328658240 QRLINUCUJPOEES-GFCCVEGCSA-N 293.411 3.738 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccs1 424059964 BZSXQJNQCDEGQX-GFCCVEGCSA-N 299.399 3.522 30 20 CHED C=C(C)CNC(=O)Nc1cc(Br)c(C)cc1C 429587378 FXKFTHDLVNQPQK-UHFFFAOYSA-N 297.196 3.764 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Cc1ccsc1 194736122 GGEVJCCGVCCYFI-UHFFFAOYSA-N 285.412 3.548 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@H](CC(F)(F)F)C1 421939636 ASZDRXSVSCBDIX-LLVKDONJSA-N 277.330 3.780 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CCCc3ccccc32)ccc1F 336852181 LFEVJROMJRXTKZ-MRXNPFEDSA-N 294.329 3.756 30 20 CHED CCC[C@@H]1CCCCN1CCCC1(C#N)CCOCC1 337206907 NKFSGCIZHPFWFF-MRXNPFEDSA-N 278.440 3.742 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 514703783 MEBLHMIWRNUKNX-QWQRMKEZSA-N 284.403 3.784 30 20 CHED CC(C)(CCC#N)CN1CCC(OC(C)(C)C)CC1 92454434 IBEJDWPPDLXSOT-UHFFFAOYSA-N 266.429 3.596 30 20 CHED C=C(C)[C@H](NCCCN(CC)CC)c1ccc(F)c(F)c1 514192049 FXGPLQNVAHUPMF-KRWDZBQOSA-N 296.405 3.904 30 20 CHED CCN(CCCC1(C#N)CCOCC1)C1CCCCC1 337134975 MBIHEGKNIUEQQN-UHFFFAOYSA-N 278.440 3.742 30 20 CHED C=CCN(CCC#N)[C@@H]1CCc2ccc(Cl)cc21 428840813 OJPTZIBAICDIOL-OAHLLOKOSA-N 260.768 3.729 30 20 CHED N#CCN(Cc1ccc(C2CCCC2)cc1)C1CC1 517428544 DQTWOZBCZINAOK-UHFFFAOYSA-N 254.377 3.832 30 20 CHED CCNc1ccc(Cl)cc1/C(O)=N/[C@@H]1CCC[C@H]1C#N 331064416 PFORRVDQGXPCFG-GXFFZTMASA-N 291.782 3.769 30 20 CHED Cc1ccccc1C1CC(N[C@@H]2CC[C@H](C#N)C2)C1 335250317 VGQPLKBTUIMKAK-JWMHWRSXSA-N 254.377 3.523 30 20 CHED CCCCCC(=O)Nc1ccc(C#N)c(Br)c1 383381065 FMMZEQUAWADMRP-UHFFFAOYSA-N 295.180 3.840 30 20 CHED Cc1cccc(-c2noc(Cc3ccc(C#N)cc3)n2)c1 230958167 IXQRKQLHJYMFRO-UHFFFAOYSA-N 275.311 3.508 30 20 CHED C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(C#N)cc1Cl 336106841 JEZVSZDBYRKWKB-UWVGGRQHSA-N 277.755 3.616 30 20 CHED C=CCCCCNc1ccc(Cc2nnc3n2CCC3)cc1 519317341 MELKFRFRUUUHSA-UHFFFAOYSA-N 296.418 3.583 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2ccc(F)cc2C#N)cc1 97036476 XSBSJZRFNGEMQD-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)C1(c2cccc(C#N)c2)CC1 435354102 KZNULVZNQRYCEV-CABCVRRESA-N 296.414 3.627 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCOC2(CCCCC2)C1 335082361 IALLEJISTQRJLD-AWEZNQCLSA-N 279.424 3.587 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCc2ccc(F)cc21 436313657 XGXJVJKLVYGZNW-JLSDUUJJSA-N 289.394 3.774 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C(C)C)c(Cl)c1Cl 334730164 DSBHOBMCTKSXJF-JTQLQIEISA-N 285.174 3.580 30 20 CHED COc1ccc(-c2noc(-c3ccc(C#N)s3)n2)cc1C 230997792 QWMNCEWJZDGWOD-UHFFFAOYSA-N 297.339 3.654 30 20 CHED Cc1nsc(NC[C@@H](c2ccccc2)C2CC2)c1C#N 431483953 KOYWTQUYTYBKED-HNNXBMFYSA-N 283.400 3.929 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1C(F)(F)F 528801453 YVHRKQYXKVECJW-GFCCVEGCSA-N 298.308 3.682 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc2c(c1)CCCC2 345975617 XAPVRLRXTTXQRI-UHFFFAOYSA-N 284.403 3.625 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 342002401 JYEJAIBJVISNHY-YIYPIFLZSA-N 273.376 3.541 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(NC(C)=O)cc2)n1 340826182 SULPLAWRWIXGJF-UHFFFAOYSA-N 285.347 3.549 30 20 CHED Cc1c(C(=O)N(CCC#N)C(C)C)oc2c(F)cccc12 608813999 QGXXMILTXTWIRY-UHFFFAOYSA-N 288.322 3.645 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](C)CCC#N 602656893 VDGLOIKZZRLRKW-INIZCTEOSA-N 288.439 3.782 30 20 CHED C[C@@H](CCC#N)CNc1cccc(-c2ncco2)c1 602495618 HBZAKUKSJAOWST-LBPRGKRZSA-N 255.321 3.693 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCCCC1)CC2 609305089 XCVHWAOKDBEKSU-INIZCTEOSA-N 282.387 3.573 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)C1CCOCC1 346551481 UEAIJSPTHZUYQV-AWEZNQCLSA-N 288.391 3.596 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](C)c2ccccc21 348190636 CUKXBCFLJVZBNK-CABCVRRESA-N 287.403 3.898 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@@H](C)C3(CCC3)C2)c1 347416630 SNZAGZPMRSUQSS-CYBMUJFWSA-N 282.387 3.777 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCC2CCCC2)C1 525197170 URLMCTHRASBHOA-RHSMWYFYSA-N 276.424 3.936 30 20 CHED Cc1ccnc(N[C@H](C)c2ccc(F)cc2F)c1C#N 343506142 GKEDJSDMJCZWAP-SNVBAGLBSA-N 273.286 3.713 30 20 CHED COc1ccccc1C[C@@H](NC[C@@H](C)CCC#N)C(C)C 602574359 ZHHRHGLSBCKLLJ-DOTOQJQBSA-N 288.435 3.792 30 20 CHED CCC(CC)(CNC(=O)[C@@H](C)C#N)c1ccc(Cl)cc1 524070618 JNVKPCXDOYNCAO-LBPRGKRZSA-N 292.810 3.674 30 20 CHED C=CCCCSc1nc2ccccc2c(=O)n1CCC 524230225 VLXKNNZNTJYDSO-UHFFFAOYSA-N 288.416 3.865 30 20 CHED CCOc1cc(C)ccc1N[C@@H](C#N)Cc1ccccc1 603954818 IKIKRZJJFGRGRW-MRXNPFEDSA-N 280.371 3.941 30 20 CHED CCCC[C@@H](CC)CN[C@@H](C)CC1(C#N)CCOCC1 602502652 HURXQRYVZTXYRU-JKSUJKDBSA-N 280.456 3.891 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)CC(C)(C)c1ccccc1 449517445 FRGWGGKQOKHMCT-UAGQMJEPSA-N 273.420 3.676 30 20 CHED Cc1ccc(-c2cc(C(F)(F)F)nn2C[C@@H](C)C#N)o1 601933300 OWYHZWCNKVHWAP-QMMMGPOBSA-N 283.253 3.630 30 20 CHED Cc1ccc(C(C)(C)CN[C@H]2CC[C@H](C#N)C2)cc1 442792601 QTTUVWZBAOKHJZ-HOCLYGCPSA-N 256.393 3.555 30 20 CHED Cc1cc(-c2cccc(Cl)c2)n(C[C@H](C)C#N)n1 601931918 HDQWFGFFNXYRQN-SNVBAGLBSA-N 259.740 3.672 30 20 CHED C[C@@H]1CCC[C@@H](C)N1C(=O)C[C@H](CC#N)c1ccccc1 355667712 YKMFRQBPGKJUEA-INMHGKMJSA-N 284.403 3.863 30 20 CHED Cc1cc(C)cc(CCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 533230304 STRLLKKWLVMKPB-KUHUBIRLSA-N 298.430 3.825 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)c1ccsc1 352526572 PDCRDVVKKINHHD-NSHDSACASA-N 251.395 3.570 30 20 CHED Cc1nc2ccccc2c(N2CCC[C@@](C)(C#N)C2)c1C 612108317 HSVHNUUXCYGCIG-SFHVURJKSA-N 279.387 3.982 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)c(C#N)c2)C1 358522889 RIDFNXKJVYSJMF-OLZOCXBDSA-N 281.359 3.585 30 20 CHED CCC(C)(C)CCN1CCN(Cc2ccc(C#N)cc2)CC1 441161461 ADYNCAOMLIIKEH-UHFFFAOYSA-N 299.462 3.502 30 20 CHED COc1ccc([C@@H](C)NCCCCC#N)cc1Cl 532216110 ZPQKHXQBJAQCHH-LLVKDONJSA-N 266.772 3.693 30 20 CHED C[C@H](C#N)CSc1ccccc1NC[C@H]1CCCOC1 610897181 RIBHFNZODRRIRV-ZIAGYGMSSA-N 290.432 3.777 30 20 CHED CCCCn1ncc(NCc2ccc(C#N)c(C)c2)c1C 443991298 UBIBNUVJTQDFMF-UHFFFAOYSA-N 282.391 3.784 30 20 CHED C=CCCCC(=O)N1CC[C@@H](c2ccccc2C)C1 267141748 HFPLDBOPNOIKQE-OAHLLOKOSA-N 257.377 3.667 30 20 CHED CC[C@H](C(=O)N(CC)CCC#N)C1CCC(C)CC1 359270757 LJJCYCNMYWDHNS-NRXISQOPSA-N 264.413 3.601 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@H]1OC(F)F 449307957 SSHSYZTUSINRSQ-YNEHKIRRSA-N 261.356 3.871 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(CSC2CCCC2)c1 610140057 BSJOLBLYWAUJJK-GFCCVEGCSA-N 288.416 3.961 30 20 CHED C=CCCCC(=O)NC1CC(C)(c2ccccc2)C1 267103504 AGLMOFAKGPVZOB-UHFFFAOYSA-N 257.377 3.579 30 20 CHED C=CCC1(NC(=O)Cc2ccccc2F)CCCCC1 456380655 KPDVRFCJSKBJTG-UHFFFAOYSA-N 275.367 3.763 30 20 CHED C=CCC1(C(=O)NC[C@H](C)c2c(C)noc2C)CCCC1 450204671 VSZUHNGVFVAMBL-LBPRGKRZSA-N 290.407 3.648 30 20 CHED C=C[C@@H]1OCCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 450808986 VLHPVOTXFJAGMN-KGLIPLIRSA-N 296.292 3.723 30 20 CHED CC(C)C[C@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl 455696840 DAFDUQDFXONPQC-NSHDSACASA-N 293.798 3.962 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCCCC1(F)F 450427295 RZOVJOIPEYJBMQ-VXGBXAGGSA-N 259.340 3.673 30 20 CHED CO[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 611394045 ZETTZVSEBFPIAZ-SJORKVTESA-N 286.419 3.586 30 20 CHED CCC[C@H](C(=O)N(C)c1ccc(C#N)cc1F)C(C)C 611205827 LLHHQPWGNRXQCN-ZDUSSCGKSA-N 276.355 3.732 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2nc3ccccc3s2)C1 617781997 WNBDYOIWHCVJJT-GFCCVEGCSA-N 286.400 3.725 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCc2cc(C#N)ccc21 618802265 DELQXEMIZHGTIR-NVXWUHKLSA-N 254.377 3.880 30 20 CHED C=C(CC)CNC(=O)Nc1cc(C)ccc1Br 455037964 SYSRKTKGQOSCQV-UHFFFAOYSA-N 297.196 3.845 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccc(F)c(Cl)c1 450671921 GUPVAABBAUVXEP-SNVBAGLBSA-N 266.747 3.824 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](CC(F)(F)F)C(C)C 458687949 MWPPYNMPMHEGFZ-NSHDSACASA-N 294.361 3.865 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1ccsc1 454726407 ZMFZYYIVMJVOPJ-UHFFFAOYSA-N 298.411 3.505 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](C)C(C)(C)C1 549292394 QCNPIUVHECAIGQ-CQSZACIVSA-N 290.455 3.850 30 20 CHED Cc1ccnc(N[C@H](C)[C@@H](C)c2ccccc2)c1C#N 541349725 QBEDUKYXUFSSSP-ZIAGYGMSSA-N 265.360 3.866 30 20 CHED CC(C)[C@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl 455752581 OJOWANDPQOJVCM-JTQLQIEISA-N 279.771 3.572 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccccc1OCCF 455727304 WGKFPCJHWYAUSC-ZDUSSCGKSA-N 294.370 3.901 30 20 CHED C=CCCC(C)(C)NC(=O)c1nccc2ccccc12 620861777 ZFVYSORNMXXQNY-UHFFFAOYSA-N 268.360 3.709 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc2c(s1)CCC2 459648312 KSLZJNZUEOQYRS-QJPTWQEYSA-N 264.438 3.883 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCCCC1(F)F 450170046 CAQZLCPETRWNHK-GFCCVEGCSA-N 278.302 3.631 30 20 CHED CC(C)c1ccc(C[S@](=O)CCC(C)(C)C#N)cc1 548134716 PPBZVJHXDDIWKP-LJQANCHMSA-N 277.433 3.999 30 20 CHED C#CCCCC(=O)N[C@H](CC)c1ccc(Cl)s1 277313059 WSCPMPVXDNBBGT-SNVBAGLBSA-N 269.797 3.772 30 20 CHED C=CCSc1ccccc1C(=O)N=c1cc(C)[nH]cc1C 547622981 KZDAIYCZMXGACQ-UHFFFAOYSA-N 298.411 3.651 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 540646540 JSWAFHVIIBLTEH-OLZOCXBDSA-N 270.376 3.862 30 20 CHED CC(C)(C#N)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 540970013 YCNRMMHAGRZTSD-RYUDHWBXSA-N 297.185 3.515 30 20 CHED C=CCCc1nc(Cc2c(F)cccc2Cl)no1 546259371 YMQYWXPYBMCWNY-UHFFFAOYSA-N 266.703 3.572 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H](C)[C@H]1CC 460805452 ROVSPJIHXGSMGY-DZGCQCFKSA-N 288.439 3.747 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1Cl 540533147 UYTYZYUPDBRXRJ-CHWSQXEVSA-N 295.810 3.968 30 20 CHED C=C(CC)CN[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 544512251 HYXCTKDZGYOBAN-LBPRGKRZSA-N 289.354 3.801 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[C@@H](SCC)C1 466315823 BPTBIKWCEOIJQP-MELADBBJSA-N 284.469 3.657 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)CC(F)(F)F 464396615 PLJLWPFTNHRLKC-NSHDSACASA-N 280.334 3.715 30 20 CHED N#Cc1cccc(OCCNc2cc(Cl)ccc2F)c1 462208557 MJFBQDKGSKMSPV-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=CCCC(=O)NCC(C)(C)Cc1cccc(Cl)c1 465048474 QLYXJFVTZJLAOJ-UHFFFAOYSA-N 279.811 3.991 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCCC[C@@H]1C 460563383 VFTPTDSDWMQJJU-AWEZNQCLSA-N 276.428 3.576 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1ccccc1)c1ccco1 285829847 WVCJUKFERZYJMY-CVEARBPZSA-N 271.360 3.610 30 20 CHED C=CCCOCCCCc1nc(CC2CCCC2)no1 556372866 WTEDIZKPELVASX-UHFFFAOYSA-N 278.396 3.718 30 20 CHED COc1ccc(C#N)cc1NC[C@@H]1C[C@H]1c1ccccc1 461765344 YBKOZYCYNRVMDB-HOTGVXAUSA-N 278.355 3.782 30 20 CHED N#Cc1cnccc1N1CCC(c2c(F)cccc2F)CC1 376431234 YXTORMDICHVFAQ-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)c1ccc(OC)cc1 464517409 DXYXLMBLTUUNCB-WBVHZDCISA-N 287.403 3.756 30 20 CHED C[C@H](c1ccccc1F)N(C)CCOc1cccc(C#N)c1 387561345 UCXPFOPYTPJWIH-CQSZACIVSA-N 298.361 3.769 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCOc1ccc2ccccc2c1 466362271 KUUHZJFAPZOIID-IBGZPJMESA-N 297.398 3.937 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 467341923 QKUHXKNHELTDMV-CWRNSKLLSA-N 261.409 3.840 30 20 CHED C=CC[C@@H](CC)N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O 286518231 XXZINHCRORYFPU-PMPSAXMXSA-N 298.386 3.509 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccoc1C(C)C 280854075 YHXXBEMIEYVMTE-UHFFFAOYSA-N 268.316 3.835 30 20 CHED C=C(CNC(=O)c1c(C)noc1C(C)C)c1ccccc1 288223132 PMYPYLVANXGIBB-UHFFFAOYSA-N 284.359 3.550 30 20 CHED CC(C)c1ccoc1C(=O)Nc1cccc(OCC#N)c1 284119802 UDTFAYTXIQEQEU-UHFFFAOYSA-N 284.315 3.558 30 20 CHED CC(C)(CC1CCCCCC1)NC(=O)c1c[nH]c(C#N)c1 474415333 SJKDARPBTQOYCZ-UHFFFAOYSA-N 287.407 3.755 30 20 CHED CCC(CC)n1ccc(CN2CCc3ccc(C#N)cc32)n1 550198040 BDIPMMXMWXPIKO-UHFFFAOYSA-N 294.402 3.679 30 20 CHED CC(C)(CCC#N)CN1Cc2cccc(Cl)c2C1 290449601 MGHBGSHMJIMMOZ-UHFFFAOYSA-N 262.784 3.986 30 20 CHED N#Cc1ncccc1NC[C@H](c1ccccc1)C(F)(F)F 555135332 ILVIOWUSDCIWLQ-GFCCVEGCSA-N 291.276 3.711 30 20 CHED C=CC1CCN(C(=O)NCC2CCC(CC)CC2)CC1 476873559 NJPLWDFNCNYREB-UHFFFAOYSA-N 278.440 3.810 30 20 CHED C=CCCCCNCc1nc2c(s1)C[C@H](C)CC2 472070927 XFBWVCABYYYZQW-GFCCVEGCSA-N 264.438 3.714 30 20 CHED C=CCCCCNC(=O)N1CCc2ccc(Cl)cc21 474075078 UHDBKTFJONCQHS-UHFFFAOYSA-N 278.783 3.768 30 20 CHED CCc1ccc([C@H]2CCN(CCCCC#N)C2)cc1 293147470 BMTIXHIXXMIVSD-KRWDZBQOSA-N 256.393 3.732 30 20 CHED C#Cc1ccc(CN[C@H]2CCO[C@H](C(CC)CC)C2)cc1 809635291 VRPLEHXRWCFUGE-OALUTQOASA-N 285.431 3.741 30 20 CHED C=CCCCSCC(=O)N(C)[C@@H]1CCCC[C@@H]1C 476128233 BTBZJPVUMWRPPC-UONOGXRCSA-N 269.454 3.723 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 293000141 JCSDQFWDMRYTKW-ZBFHGGJFSA-N 284.403 3.888 30 20 CHED N#CCCN[C@H](c1c(Cl)cccc1Cl)C1CC1 297943529 AMOALWAKSUMLEP-ZDUSSCGKSA-N 269.175 3.948 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cccc(Cl)c1Cl 806107072 BQDFWDBBCBYXED-MRVPVSSYSA-N 271.147 3.527 30 20 CHED C=CCCCCNC(=O)[C@@H](C)CSc1ccccc1 471707086 SVRKNEIHKNVQKJ-AWEZNQCLSA-N 277.433 3.887 30 20 CHED C=CCCCCCCCCNc1ccc(C#N)nn1 808089667 PPBQMMIXQSVPRQ-UHFFFAOYSA-N 258.369 3.677 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](C)c1cccc(CC(C)C)c1 561016208 UHBPLIPKJWNWGV-MRXNPFEDSA-N 298.430 3.917 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2ccccc2CC#N)C1 568796422 ZCDASPRMZNYTOK-NHAGDIPZSA-N 270.376 3.763 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(CCC#N)CCC(C)C)CC1 565953436 RJXWCCOKYQIXMC-INIZCTEOSA-N 276.424 3.911 30 20 CHED C[C@@H]1/C(=C\c2ccc(C(=O)O)cc2)C(=O)c2ccccc21 809155909 HSHBEFXRUKZUQH-YAFRSCOQSA-N 278.307 3.768 30 20 CHED Cc1ncc(CO)c(/C=N/c2cccc(C3CCC3)c2)c1O 290959738 NEUSBSFWRBQTSZ-KEBDBYFISA-N 296.370 3.606 30 20 CHED O=C(/C=C/c1cnccn1)c1cc(Cl)cc(Cl)c1 809156646 DGHDHMSLSBTQQZ-OWOJBTEDSA-N 279.126 3.680 30 20 CHED C#C[C@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)C(C)(C)C 807884862 ZLKYGGRZQVHYJH-AWEZNQCLSA-N 288.778 3.599 30 20 CHED C=CCCCCN1CCC(O)(Cc2ccc(F)cc2)CC1 562534548 JEOIAEQJDYWKLE-UHFFFAOYSA-N 291.410 3.551 30 20 CHED O=C(/C=C/c1cc(F)ncc1F)c1cccc(Cl)c1 806566194 XFNQRBXUXSVVEP-SNAWJCMRSA-N 279.673 3.909 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(C(C)C)c1 809992696 OFHJHAZFOZXBST-UHFFFAOYSA-N 277.367 3.973 30 20 CHED CCC(=NN[C@@H]1CCSC1)c1cccc(Cl)c1 808004032 CCINAOPZEDVIHP-GFCCVEGCSA-N 268.813 3.549 30 20 CHED CC[C@H](CC#N)NC/C(C)=C\c1ccccc1OC(F)F 566592942 PCDLPGQETKSOIC-GAJOTYCWSA-N 294.345 3.973 30 20 CHED CC(C)c1ccc(-c2noc(-c3ccc(C#N)cn3)n2)cc1 390221413 ZMTSFSZSZSNXJN-UHFFFAOYSA-N 290.326 3.794 30 20 CHED N#CCC1(OC(=O)c2ccc3c(c2)CCC=C3)CCC1 810858989 VANWMOZGAPFUSY-UHFFFAOYSA-N 267.328 3.639 30 20 CHED C=CCCCCCCCNC(=O)Cc1n[nH]c2ccccc12 811591003 VZNJEWJUYXSYSW-UHFFFAOYSA-N 299.418 3.748 30 20 CHED CC(C)C[C@H](C)CN(C)CCOCc1ccc(C#N)cc1 566318912 YTPNWRHJLYQASM-INIZCTEOSA-N 288.435 3.689 30 20 CHED C=CCn1cc(CN[C@@H](CCCCC)C(C)(C)C)nn1 818346397 DSTFNTHSQXPBQL-HNNXBMFYSA-N 278.444 3.549 30 20 CHED CCCCO[C@@H]1C[C@H](NCCCC(C)(C)C#N)C1(C)C 564293373 IJLIAASOWGXFMK-LSDHHAIUSA-N 280.456 3.890 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccccc2C)cc1 814359617 LGCGTTMSORAZFD-UHFFFAOYSA-N 263.340 3.548 30 20 CHED Cc1ccccc1OCCN(C)[C@H](C)c1cccc(C#N)c1 487673200 IMIYGIORYKWGKS-MRXNPFEDSA-N 294.398 3.939 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1cccc(C(F)(F)F)c1 488830462 FKZAVHPNSXRHFV-AWEZNQCLSA-N 297.320 3.815 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(Cl)c2)cc1O 811699328 RUJHFZJZTKTCMP-ALCCZGGFSA-N 288.730 3.950 30 20 CHED Cc1ccc2c(C)cc(NN=C[C@H]3CCOC3)nc2c1C 812443241 OUAUFBHUNQSPMC-CQSZACIVSA-N 283.375 3.594 30 20 CHED C=C(CNC(=O)Nc1c(C)cccc1F)c1ccccc1 480715109 IWYLFCMWHCRGNB-UHFFFAOYSA-N 284.334 3.969 30 20 CHED CCN(CC#N)C(=O)CC1CCC(C(C)(C)C)CC1 481119646 XAEVGVBYSBHHGR-UHFFFAOYSA-N 264.413 3.601 30 20 CHED COc1ccc([C@@H](C)C(C)=NNC[C@H]2CCSC2)cc1 811657427 NMOQZMCPFVYLAD-GXTWGEPZSA-N 292.448 3.517 30 20 CHED CC[C@H](F)COc1c(Br)cccc1CC#N 572446773 GSXLOTYKMMOPFV-JTQLQIEISA-N 286.144 3.642 30 20 CHED Fc1cc(C=NOCCC2CC2)c2ncccc2c1 814246049 AYYONEOWWPSEBK-UHFFFAOYSA-N 258.296 3.525 30 20 CHED CCC(=NNCc1ccc(C#N)cc1)c1ccc(F)cc1F 814880596 ASVVREYLWRTEOX-UHFFFAOYSA-N 299.324 3.740 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCCC[C@@H]2C)CC1 651700780 SSLQIIGWHYDQAQ-RDJZCZTQSA-N 264.457 3.585 30 20 CHED C#C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 811949627 JZYHQVFXPZWIHB-MZGVZZPPSA-N 287.790 3.567 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1csc(C(=O)O)c1 814683803 QPQYSWRIRKGKSL-UHFFFAOYSA-N 294.763 3.936 30 20 CHED C#CCCOC(=O)c1ccccc1SCc1ccco1 727042650 OKKMNPZUVCRJKK-UHFFFAOYSA-N 286.352 3.752 30 20 CHED CC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCCC1 578844321 FDEMQHHGRSJUMC-DLBZAZTESA-N 296.414 3.748 30 20 CHED C=CCC1(c2nc(-c3ccc4cc[nH]c4n3)no2)CCC1 577798816 GPMOZIDAWPGYQD-UHFFFAOYSA-N 280.331 3.611 30 20 CHED CC(=NOCCC1CC1)c1c(Cl)nc2ccccn12 814246712 WGLBWWSAEVFOSW-UHFFFAOYSA-N 277.755 3.528 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 814387307 OIFYSZVJGLZZTJ-IRXDYDNUSA-N 296.414 3.725 30 20 CHED C=CCC1(c2nc(C[C@@H](C)COC)no2)CCCCC1 650656592 UQSANEFFVFIDCH-CYBMUJFWSA-N 278.396 3.673 30 20 CHED CC(C)n1cncc1C=NNc1ccc(C(F)(F)F)cc1 819809787 ZIZIYNRGYKRSBA-UHFFFAOYSA-N 296.296 3.929 30 20 CHED C[C@@H]1CCc2ccccc2N1Cc1ccc(OCC#N)cc1 729267273 OSENETHRBNELGJ-OAHLLOKOSA-N 292.382 3.930 30 20 CHED CCCCC[C@@H](C)NC(=O)c1cc2ccccc2n1CC#N 729312046 ROXAZCFRXOCCPL-CQSZACIVSA-N 297.402 3.863 30 20 CHED C=CCCOCCN[C@H]1CC=C(c2ccc(F)cc2)CC1 498803236 IULUBHPINFZCCO-SFHVURJKSA-N 289.394 3.944 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)C(F)(F)C1 494212134 KMZLMCOIXOUADL-VXGBXAGGSA-N 264.319 3.596 30 20 CHED Fc1ccc(NN=Cc2cc(F)c(F)c(F)c2)cc1 727970059 PMXNSVRNBFMNKQ-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C=CCN(C)C(=O)CSc1ccc(C(C)(C)C)cc1 490072430 NVLFASWAYNPPAK-UHFFFAOYSA-N 277.433 3.721 30 20 CHED N#CCCCCCC(=O)N1CCCCC[C@@H]1c1ccncc1 588628905 YLDROPNSFLMMDU-QGZVFWFLSA-N 299.418 3.999 30 20 CHED C[C@@H]1OCC[C@H]1SCCCCC1(C#N)CCC1 901526659 CTXSNVUEKYISMJ-QWHCGFSZSA-N 253.411 3.761 30 20 CHED Cc1cc(NN=Cc2c(C3CC3)cnn2C)ccc1Cl 905509706 NNYQZMOJHKBATM-UHFFFAOYSA-N 288.782 3.705 30 20 CHED C[C@]1(C#N)CCCN(C(=O)/C(F)=C/C2CCCCC2)C1 828292283 BNRMSFNPQBUXPS-SCOADAFUSA-N 278.371 3.572 30 20 CHED C=CCC1(C(=O)Nc2cccc3c2ccn3C)CCC1 583668662 LCFRTDGGQGCWFX-UHFFFAOYSA-N 268.360 3.863 30 20 CHED C=CCNC(=S)N[C@H](c1ccccc1Cl)C(C)C 734309218 PIAGXUUTMCANMW-ZDUSSCGKSA-N 282.840 3.687 30 20 CHED C#CCOc1ccccc1OC(=O)c1ccc(Cl)s1 730510071 XVEZXPPZMQFTNL-UHFFFAOYSA-N 292.743 3.633 30 20 CHED CC#CCCNCc1cc(Cl)c(OCCC)c(OC)c1 499209380 INCLEKCOIDKVOQ-UHFFFAOYSA-N 295.810 3.640 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](C2CCCCC2)C1 661264096 OGCRCPFOFXWXQC-OAHLLOKOSA-N 264.413 3.564 30 20 CHED N#CCCCCCC(=O)Nc1cccc(Br)c1 588147991 BHGMBAKKYPVRNX-UHFFFAOYSA-N 295.180 3.862 30 20 CHED Cc1ccc(C)c(C(=O)CCC(=O)OCCCCC#N)c1 733866349 FZLIPJSNEMEKCY-UHFFFAOYSA-N 287.359 3.503 30 20 CHED C=CC[C@@H](NC(=O)C1CCCCCC1)c1ccncc1 734457111 GIKKSRAARZKOQV-MRXNPFEDSA-N 272.392 3.785 30 20 CHED C=CCC[C@H](NC1CCC2(CCCCC2)CC1)C(=O)O 901690799 SQYOKQDLOBIKGO-HNNXBMFYSA-N 279.424 3.889 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C(=O)O)c1cc(F)ccc1F 901637693 QCJWKBKXQHMYOO-XHDPSFHLSA-N 297.345 3.815 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H](C2CCC2)C2CC2)cc1 835069062 JZDYXKPAGKPHMA-UGSOOPFHSA-N 284.403 3.646 30 20 CHED C=C[C@H](CC)Cc1nc([C@H]2CCCCS2)no1 904028508 GBPZUERHWLNDQC-GHMZBOCLSA-N 252.383 3.783 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCc2cccc(F)c2F)C1 839048027 BNVWXWAUSSDZGX-YPMHNXCESA-N 293.313 3.523 30 20 CHED COc1ccc(C(C)=NN=c2cc[nH]c3ccccc23)cc1 730148495 VHUHMTKYCJKCLW-UHFFFAOYSA-N 291.354 3.501 30 20 CHED CC1(CNC(=O)c2ccccc2SCC#N)CCCC1 731203203 ZUKVOBBVCQFZGI-UHFFFAOYSA-N 288.416 3.612 30 20 CHED CCC(CC)NN=Cc1ccccc1OCc1ccccn1 734364768 FCJIXOAYLKBTPM-UHFFFAOYSA-N 297.402 3.773 30 20 CHED N#CC1(CCCCSc2cccc(C(N)=O)c2)CCC1 901550115 VLDNUSOSHNCSHQ-UHFFFAOYSA-N 288.416 3.742 30 20 CHED CC(=NNc1nc(C)cc(C)n1)[C@H]1CCCC[C@@H]1C 834913428 ZWIVCHXOVSNFNJ-HZMBPMFUSA-N 260.385 3.708 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)NCC(C)(C)CCC#N)C1(C)C 588177985 ZTZHLJPIIPOXRZ-KGLIPLIRSA-N 276.424 3.671 30 20 CHED C=C[C@H](CC(=O)NCc1ccoc1C)c1ccccc1 677522740 XNMLCNBMSBYYOL-CQSZACIVSA-N 269.344 3.564 30 20 CHED C[C@@H](NN=C1CC(c2cccc(F)c2)C1)C(F)(F)F 834998915 YTJAOHBTZMMAJU-HNHGDDPOSA-N 274.261 3.600 30 20 CHED O=C([C@@H]1[C@H]2CCCC[C@H]21)N(O)Cc1cccc2ccccc12 900091561 BELYHQYVITZQBH-PIIMJCKOSA-N 295.382 3.994 30 20 CHED C#CCCCC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 837067224 XRTVKZJXVMREFS-ROUUACIJSA-N 283.415 3.880 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 837515920 CVPMIRUBQRAPAO-JTQLQIEISA-N 277.330 3.519 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCc2cc(Cl)cs2)C1 839057192 WXSDQWCQTBEFAU-PWSUYJOCSA-N 297.807 3.960 30 20 CHED CC1(C#N)CCC(=NNCCCc2ccccc2)CC1 834956877 SGXPLBBOGRTYAB-UHFFFAOYSA-N 269.392 3.669 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H](CCC)CC(C)C 839325927 AYRZBXCTNQLOBS-ZDUSSCGKSA-N 291.357 3.863 30 20 CHED N#Cc1c(NC(=O)C=C2CCCC2)sc2c1CCCC2 917543556 RMVAUFNMOJGSJO-UHFFFAOYSA-N 286.400 3.937 30 20 CHED C=CC1CCN(C(=S)Nc2cccc(C)c2C)CC1 731942855 SJCPENUHUIDUIX-UHFFFAOYSA-N 274.433 3.898 30 20 CHED CCN(C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1ccc(F)cc1 598586657 KJIOIQXMQNRHEW-BBRMVZONSA-N 292.398 3.509 30 20 CHED CCNCc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 595920220 OIMGALWCZPDSNM-UHFFFAOYSA-N 299.418 3.599 30 20 CHED C=C(CNC(=O)c1ccccc1OC1CC1)c1ccccc1 673342549 RKAAAMVWSVVWRC-UHFFFAOYSA-N 293.366 3.671 30 20 CHED N#CCc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)s1 593950908 BVFQKLXUZWRLTE-HNNXBMFYSA-N 299.395 3.787 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc(C(=O)O)cc1 832890396 UXCDYQHTNLXNHZ-CLFYSBASSA-N 284.286 3.728 30 20 CHED CC[C@@H](C)[C@H](OC)C(=O)Nc1cc2ccccc2cc1C#N 839437649 PBMNYCVEGAPAOX-PXAZEXFGSA-N 296.370 3.711 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@@H]1CCC[C@@H](C)C1 749784889 CGYSMVVMZHZJKR-CHWSQXEVSA-N 287.359 3.689 30 20 CHED Cc1c(Cl)c(C(F)(F)F)nn1CC1(CC#N)CC1 596282114 BPOMPJJASJRYNI-UHFFFAOYSA-N 277.677 3.558 30 20 CHED C=CC[C@@H](NC(=O)NCCCC(C)(C)C)c1ccncc1 740480695 DIUKOZPTRJBXFG-OAHLLOKOSA-N 289.423 3.824 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 843666185 QTQWZJNXVFVCEC-DLBZAZTESA-N 269.388 3.551 30 20 CHED N#Cc1ccc(OC(=O)C2C3CC4CC(C3)CC2C4)cc1 919223452 NUUYYRZZVASZJU-UHFFFAOYSA-N 281.355 3.536 30 20 CHED C=CCC1(C(=O)NCCC[C@H]2CC2(Cl)Cl)CCC1 844960383 HVGMWKJQYGNWKP-NSHDSACASA-N 290.234 3.823 30 20 CHED C=CCCCC(=O)OCc1ccc(-c2ncco2)cc1F 840250711 CVFYAPXCPTUYBR-UHFFFAOYSA-N 289.306 3.880 30 20 CHED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)c(O)c1 596640893 JWDZWLDMMIFBJJ-UHFFFAOYSA-N 272.348 3.503 30 20 CHED CCOc1ccc(/C=N\Cc2cccc(COC)c2)c(O)c1 915980164 XQKRGDUARGFGIR-UNOMPAQXSA-N 299.370 3.556 30 20 CHED CSc1ccc(OCCON=Cc2cccs2)cc1 742352337 OSWNGHDOLSCBEB-UHFFFAOYSA-N 293.413 3.900 30 20 CHED C[C@H](OC(=O)[C@@H]1CC12CCCC2)c1ccc(C#N)cc1 748676631 ALHAPZYCNTZBIY-WFASDCNBSA-N 269.344 3.743 30 20 CHED CCC[C@H](C)C(CC)=NNc1cncc(Cl)n1 748249828 HDFMQZKOXJOJSJ-VIFPVBQESA-N 254.765 3.744 30 20 CHED CCN(CC)c1ccc(C/N=C\c2cccc(O)c2O)cc1 917556903 RCBLEWVTNCRBHV-UYRXBGFRSA-N 298.386 3.563 30 20 CHED COC1([C@@H](C)NCc2ccc(C#N)cc2F)CCCCC1 591531569 JODHEEBMJBDMFA-CYBMUJFWSA-N 290.382 3.525 30 20 CHED CCCN(Cc1ccc(O[C@H](C)C#N)cc1)C(C)C 848924283 ZUABGLSCNLTAQT-CQSZACIVSA-N 260.381 3.598 30 20 CHED N#CC1(c2nc(C3(c4ccc(F)cc4)CCC3)no2)CCC1 598682661 HDJIRVFAWRMCFA-UHFFFAOYSA-N 297.333 3.624 30 20 CHED CCCCCCCOC(=O)COc1ccccc1F 918493888 JOSXMQZHYNUKHZ-UHFFFAOYSA-N 268.328 3.718 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 592626316 WQRNTLGRADSFFT-WMZOPIPTSA-N 294.398 3.798 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC([C@@H]2CCCCO2)CC1 595781711 GDUFCPQLXGEZQY-KXBFYZLASA-N 298.430 3.900 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1oc(C)nc1C 847744527 RZFILTMYUPOXEQ-DDTOSNHZSA-N 277.364 3.829 30 20 CHED C=CCCCONC(=N)c1cccc(C(F)(F)F)c1 740872533 FVNZJJJLUQBLHV-UHFFFAOYSA-N 272.270 3.518 30 20 CHED N#CCCCCOC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 747516993 PUDOCTVWZUAVQK-KBPBESRZSA-N 277.751 3.681 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H](C)c2ccc(OC)cc2)c1 745625200 UIESZVWRWMJIJN-HCZVKUGISA-N 299.370 3.980 30 20 CHED Cc1ccc(C#N)c(NCc2cccc(C(F)(F)F)c2)n1 43395399 YLAIDTGWTVIBTB-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=C[C@H](C)ONC(=O)c1cc(C2CC2)nc2ccc(C)cc12 846544503 BEPLPUSJJVFTJQ-LBPRGKRZSA-N 296.370 3.657 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1C=CCC1 850510370 TXHDKSZRJLGZEB-NVXWUHKLSA-N 252.361 3.634 30 20 CHED CC(=NNc1nc(O)c2ccccc2n1)c1ccc(C)s1 757590926 UARRFNGOAIKGOK-UHFFFAOYSA-N 298.371 3.541 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2cc(C)ccc2O)c1C 759653895 WNEPNUAOKCFQTQ-CLFYSBASSA-N 298.386 3.820 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)C2(Cl)CC2)c1 925412711 CBLCVUPOSRWZTE-JSGCOSHPSA-N 292.810 3.617 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@@H]1CC[C@H](C)C1 759219748 SFXRAMQHGSXMMW-QWHCGFSZSA-N 289.350 3.603 30 20 CHED CCCCCC(C)(C)C(=O)N1CCC[C@H](CC#N)C1 855254287 HYUHXHLUVXIPPQ-CQSZACIVSA-N 264.413 3.745 30 20 CHED C[C@H](C#N)N(Cn1ccc(=S)c2ccccc21)C1CC1 853547706 YFQJCWUYBXUGRI-GFCCVEGCSA-N 283.400 3.705 30 20 CHED C#CC[C@H](OC(=O)c1ccc(C2CC2)cc1)c1ccccn1 850818756 FLIXRXSKMTUZLF-SFHVURJKSA-N 291.350 3.880 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(F)cc1N(C)C 759193133 CMQAQQFYLVFZRK-UHFFFAOYSA-N 296.349 3.599 30 20 CHED COc1ccc(NN=Cc2ccc(N3CCCCC3)o2)cc1 750922898 AEMLETDVKNGAFP-UHFFFAOYSA-N 299.374 3.725 30 20 CHED CCCn1nccc1/C=C1/CCc2cc(OC)ccc2C1=O 853003367 JJYVWFXRMVNXER-KAMYIIQDSA-N 296.370 3.514 30 20 CHED CC(=NNc1cc(C)ccn1)c1cc(F)ccc1F 755900642 MVFZAWGJBLQREH-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C=CCCSc1nnc(NCc2cccs2)s1 920227104 NDJGILWZJXUCEC-UHFFFAOYSA-N 283.447 3.880 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCOC[C@H](C)C1 754576571 DFSBTEUAJYDYAY-JKSUJKDBSA-N 298.471 3.661 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)Cc1ccc(C#N)cc1 750244356 BCMYKAJGQJBTFB-OAHLLOKOSA-N 293.366 3.665 30 20 CHED C[C@@H]1C[C@H]1C=NNc1cc(C(F)(F)F)ccc1F 753948063 VZNHKIUQZUPCIS-SFYZADRCSA-N 260.234 3.898 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(OCCC)c(Cl)c1 753942373 FNLZLOXEKAREFB-UHFFFAOYSA-N 294.782 3.662 30 20 CHED C#CC[C@@H](Nc1nc(O)c2ccccc2n1)c1ccccc1 756952900 FPAFAWRJTMNZBV-OAHLLOKOSA-N 289.338 3.512 30 20 CHED Cc1c(NCC(C)(C)C)cccc1C(=O)O[C@H](C)C#N 757110653 QRXUYCXFGKVYJA-LLVKDONJSA-N 274.364 3.522 30 20 CHED C=CC[C@H](C(=O)OCC(C)(C)n1cccn1)c1ccccc1 851309202 ZPEJYSMVLAPMHI-INIZCTEOSA-N 298.386 3.521 30 20 CHED C[C@H]1C[C@@H](NCc2cccc(C#N)c2)c2c(O)ccc(F)c21 756394789 YKSZMIQSBJTHSI-XHDPSFHLSA-N 296.345 3.741 30 20 CHED Cc1nc(NC(=O)CCC2(C)CC2)sc1SCC#N 931388394 WCLMONJNZPACCB-UHFFFAOYSA-N 295.433 3.586 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2OCC(F)F)CC1 930398516 LVLSXRGQVWCIEL-UHFFFAOYSA-N 296.317 3.514 30 20 CHED C#CCCc1noc(/C=C/c2ccc(Cl)s2)n1 762005965 DXPXFLQCZFGKFN-SOFGYWHQSA-N 264.737 3.521 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C#N)cc2)cnc1Cl 760264177 KQJQCQUYZYXCLM-QPJJXVBHSA-N 282.730 3.811 30 20 CHED C#CCCCN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 766895734 RUSJJVRQGNJULW-HNNXBMFYSA-N 271.404 3.709 30 20 CHED CCc1noc(C)c1C(C)=NNc1cccc2cnccc12 769794155 WTGCXTVXOLRLJV-UHFFFAOYSA-N 294.358 3.930 30 20 CHED CC(C)c1nocc1C(=O)O[C@H](C)c1ccc(C#N)cc1 860229549 KAOVQHUOGDMIJU-LLVKDONJSA-N 284.315 3.588 30 20 CHED CCCCCCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 769896261 GMSQGTINMKAVDU-QWHCGFSZSA-N 281.362 3.592 30 20 CHED CCCCc1nnc(S)n1N=C[C@H]1CCC[C@@H](C)C1 768351348 FPLMRNDDFQXTLB-NEPJUHHUSA-N 280.441 3.570 30 20 CHED CC[C@H](C)n1nc(C(=O)Oc2ccc(C#N)c(C)c2)cc1C 765117954 KYIXURUGXVFPFF-LBPRGKRZSA-N 297.358 3.562 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CCOc2cccc(C)c21 860786520 DCSMCNHHULCDPP-CQSZACIVSA-N 287.359 3.692 30 20 CHED N#Cc1cc2ccccc2nc1N[C@@H]1CCOC2(CCC2)C1 767823182 RNTDEVOEUXOVKU-OAHLLOKOSA-N 293.370 3.620 30 20 CHED C=CCN(Cc1cnc(C)n1-c1ccccc1)C(C)C 768548082 WBKBSRJFCLLXGI-UHFFFAOYSA-N 269.392 3.577 30 20 CHED CCC[C@H](C#N)NC(=O)CCc1cccc2ccccc12 865081042 AABLMAIYBVBDJD-MRXNPFEDSA-N 280.371 3.581 30 20 CHED C=CC[C@H](C)C(C)=NNc1ccnc(Br)c1 769809592 DMECATNYJSKNPX-VIFPVBQESA-N 282.185 3.844 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1cnc(C)s1 761266324 HGQPGUNMULQIOZ-UHFFFAOYSA-N 279.796 3.619 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1sccc1O 769781272 YZCPLOULXVBJQX-SNVBAGLBSA-N 260.362 3.529 30 20 CHED C=CC[C@@H](N[C@H]1CCc2c(OC)cccc21)c1ccncc1 1116296637 UHALEUHOBSYRQM-MSOLQXFVSA-N 294.398 3.985 30 20 CHED CCn1cc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)cn1 763288221 GOXFHWNJHYMJKH-CIKBWMHTSA-N 278.355 3.603 30 20 CHED CC(CCc1ccccc1)=NOCCC(F)(F)F 777461341 XOSBVLPTKCWFJJ-UHFFFAOYSA-N 259.271 3.964 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(OCCC(C)C)cc1 1116620612 LBTQKJWHNYZLMP-WBVHZDCISA-N 291.435 3.963 30 20 CHED COCc1ccc(/C=C2\Oc3cc(F)ccc3C2=O)cc1 773170403 DKSNLQOVEXKIQY-PXNMLYILSA-N 284.286 3.588 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](C)c1sc(C)nc1C 878765785 QDKBJAMXZYBQPT-NSHDSACASA-N 280.437 3.882 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1F 778531488 FOMKIHHXKKYSOS-UHFFFAOYSA-N 287.294 3.960 30 20 CHED CC#CCNc1ccc(Cl)cc1[C@@H](O)c1ccccc1 776207338 MPHBOSDYPPAJHD-KRWDZBQOSA-N 285.774 3.857 30 20 CHED CSc1ccc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)cc1 774595238 ATDNGQBGYWTOLP-KCQAQPDRSA-N 260.406 3.521 30 20 CHED CC(=NOC1CCOCC1)c1sc(C(C)(C)C)nc1C 774429732 BZKCUKIOHXUHJV-UHFFFAOYSA-N 296.436 3.669 30 20 CHED N#Cc1cccc(CONC(=N)C2CCCCCC2)c1 770701355 ZFKCLMRGRLKVPF-UHFFFAOYSA-N 271.364 3.527 30 20 CHED C=CCC[C@H](C(=O)OC[C@H]1CC[C@H](C)O1)c1ccccc1 778696147 FCJXIUJVNIBFHG-UAGQMJEPSA-N 288.387 3.847 30 20 CHED CCC(=NOC1CCCC1)c1ccc2c(c1)OCCO2 774596470 GDDWIDUUFIYAAD-UHFFFAOYSA-N 275.348 3.531 30 20 CHED CC(=NOC1CCCC1)c1c(Cl)nc2sccn12 774598006 ZJNSSDIBUYNQOJ-UHFFFAOYSA-N 283.784 3.732 30 20 CHED C[C@@H](CSCc1ccccc1)C(=O)OCCCCC#N 772980343 WUFGBNOQGFXNQB-AWEZNQCLSA-N 291.416 3.793 30 20 CHED CCC(=NNc1nccnc1C(C)C)c1ccc(C#N)cc1 773085136 FLBAHPQNCRMLBR-UHFFFAOYSA-N 293.374 3.698 30 20 CHED COc1nc2ccccc2cc1C=NOC1CCCC1 774603109 MECAHVOMXVTKPE-UHFFFAOYSA-N 270.332 3.537 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)[C@H](C#N)c2cccc(F)n2)C1(C)C 1122649961 MUFMSNJHFSJDDV-JKDFXYPNSA-N 288.366 3.859 30 20 CHED Clc1csc(C=NNc2ccc(Cl)nc2)c1 782239597 PKCZYCGPGVZNDA-UHFFFAOYSA-N 272.160 3.896 30 20 CHED Oc1cccc(/C=N\Cc2ccc(C(F)(F)F)cc2)c1O 783258824 SDYNJOHMCKQOBS-OCKHKDLRSA-N 295.260 3.736 30 20 CHED C#CCC1(c2nc(-c3ccco3)no2)CCCCC1 789761054 JCAREWIRODVUHC-UHFFFAOYSA-N 256.305 3.555 30 20 CHED COCc1cc(C#N)ccc1NCCSC(C)(C)C 881910588 RVGNLYHREQJDPF-UHFFFAOYSA-N 278.421 3.648 30 20 CHED Fc1ccc(CNN=C2CCC3(CCCO3)CC2)cc1F 788015677 MSHHHHCGAYXISR-UHFFFAOYSA-N 294.345 3.534 30 20 CHED C=CC(C)(C)CC(=O)N(CC)c1cccc(OC)c1 888056929 URQSAAZONSXEKS-UHFFFAOYSA-N 261.365 3.650 30 20 CHED CCCC1(C(=O)Nc2ccccc2O[C@H](C)C#N)CCC1 780161526 GYOVVPWUIIVDHB-CYBMUJFWSA-N 286.375 3.886 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)s1 782199172 CMJLQRZPXNRVNF-ARJAWSKDSA-N 278.354 3.712 30 20 CHED C=C(C)[C@H](N[C@@H]1CC[C@H]1C)c1ccc(F)c(F)c1 783295299 SHDXOPVUINEONA-KMUNFCNLSA-N 251.320 3.970 30 20 CHED FC(F)(F)c1ccc(NN=C[C@H]2CCSC2)cc1 782254029 LKNFKLXDSKSOIK-SECBINFHSA-N 274.311 3.856 30 20 CHED CCCCCn1cc(CNc2cc(C)cc(C#N)n2)c(C)n1 893071892 UYMSWPZZPLMMGO-UHFFFAOYSA-N 297.406 3.569 30 20 CHED C#CCSc1nnc(-c2ccc(C(C)C)cc2)o1 789919772 FJOFPGYYEDYNEW-UHFFFAOYSA-N 258.346 3.585 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCC[C@@H]2SCC)CCCCC1 788514223 GOGLTXCQTKNMTR-CABCVRRESA-N 293.476 3.751 30 20 CHED C=CCCOCCN[C@H]1CCCCC12CCCC2 386602677 ICUALQVGEYZBJH-HNNXBMFYSA-N 251.414 3.672 30 20 CHED Cc1ccc(C(=O)/C=C\C(=O)Nc2cccc(C)c2C)cc1 899909972 AEBISQOMXCIQGT-QXMHVHEDSA-N 293.366 3.989 30 20 CHED N#Cc1ccc(S/C=C\c2ccc([N+](=O)[O-])o2)cc1 789916556 ZPTBZIXKHPLNIH-FPLPWBNLSA-N 272.285 3.822 30 20 CHED N#Cc1ccc(N2CCC(OCC3CC3)CC2)c(Cl)c1 892742659 IXJGGCGOHCACOS-UHFFFAOYSA-N 290.794 3.607 30 20 CHED C#CCOc1ccccc1CN[C@H]1C[C@H](c2ccccc2)C1 797876237 BBKKOPXRVDZBPD-WGSAOQKQSA-N 291.394 3.734 30 20 CHED COc1ccccc1CON=Cc1nccc2ccccc12 799118129 YQUFPANSNZXHIQ-UHFFFAOYSA-N 292.338 3.794 30 20 CHED COc1cccc(C(=O)/C=C\c2cnn(C3CCC3)c2)c1 899336068 OZQXVFYJNZITRP-HJWRWDBZSA-N 282.343 3.513 30 20 CHED CCc1ccccc1NC(=O)c1ccc(C)c(C#N)c1 799296037 HAWRIGYIVKSXIB-UHFFFAOYSA-N 264.328 3.681 30 20 CHED Cc1ccc2c(C)cc(NN=C3CCOC[C@@H]3C)nc2c1C 794480821 AXZJTSDTNQNXET-ZDUSSCGKSA-N 297.402 3.984 30 20 CHED Cc1cc(Oc2ccc3c(c2)CCC3)c(C#N)cn1 399479416 XEQZXCMXEBFIHC-UHFFFAOYSA-N 250.301 3.543 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(CF)cc1 1130174938 ZRWCGRXMADHXHH-ZDUSSCGKSA-N 296.345 3.861 30 20 CHED N#Cc1ccc(CCN2CCc3cc(Cl)ccc3C2)cc1 1208927478 KSKXXMSRXFJCTN-UHFFFAOYSA-N 296.801 3.812 30 20 CHED CCCCCCCNCc1cc(C(=O)O)cs1 703747467 GMJUMRCLFFLOIP-UHFFFAOYSA-N 255.383 3.506 30 20 CHED CC(=NOCCCCF)c1nc2ccccc2n1C(F)F 795204575 YEAQNLCNZGDXME-UHFFFAOYSA-N 299.296 3.922 30 20 CHED C[C@@H](NC(=S)Nc1ccsc1)c1cccc(C#N)c1 790320403 NKRNNTGUOUVVJQ-SNVBAGLBSA-N 287.413 3.667 30 20 CHED CCC1CCC(N(C)C(=O)c2ccc(C)c(C#N)c2)CC1 799305301 DUFYDVJDACNALE-UHFFFAOYSA-N 284.403 3.908 30 20 CHED N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 61889367 LIZWVRVKNWTVGT-PRHODGIISA-N 298.173 3.807 30 20 CHED C=CCCC[C@@H](C)NCc1cccc(OC)c1F 192707759 FTKNNKYXMDHFNZ-GFCCVEGCSA-N 251.345 3.669 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc3c(c2)CCCC3)cn1 792886504 UXIJUVVYEOIFEQ-CSKARUKUSA-N 280.371 3.678 30 20 CHED Cc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1C#N 799761909 SGZYASZQHKNEQW-UHFFFAOYSA-N 297.264 3.862 30 20 CHED FC(F)(F)Oc1ccc(C=NNCc2ccccc2)cc1 794761940 LTUHPDPJPXTYMR-UHFFFAOYSA-N 294.276 3.709 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)cc2F)[C@@H]1C 1202202515 DHQSKHWLRJTKBL-NFAWXSAZSA-N 274.383 3.859 30 20 CHED CC[C@H](C)CON=Cc1cnc(C)n1-c1ccccc1 793157537 CBSJLUTWALLECE-ZDUSSCGKSA-N 271.364 3.577 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)cc1F)c1ccccc1 794540988 MOVCAIZUULJXPO-UHFFFAOYSA-N 297.329 3.718 30 20 CHED CC[C@H](C)CON=C(C)C[C@H](C)NC(=O)OC(C)(C)C 793157549 CCFGIAAWNOXDTJ-RYUDHWBXSA-N 286.416 3.728 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2(c3ccccc3)CC2)c1 1219112974 BQSXOASVJKOFDP-UHFFFAOYSA-N 291.354 3.678 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)C1(Cl)CC1 695732912 USMHFQFVGFMTIE-GFCCVEGCSA-N 278.783 3.941 30 20 CHED C=CCCOCCN[C@H](C)c1cccc(OC(F)F)c1 90883763 ZDGPEFVQKRJAFL-GFCCVEGCSA-N 285.334 3.531 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1ncnc2ccccc12 1307146993 OFDDVWZRVICCDS-CYBMUJFWSA-N 288.354 3.699 30 20 CHED CCC1(NC(=O)NCCc2ccc(C#N)cc2)CCCCC1 1230917709 FIPHXOZBCUGCKO-UHFFFAOYSA-N 299.418 3.513 30 20 CHED COCC(=NNc1ccc(C)c(Cl)c1)C(C)C 1318734432 IDWLCLFXJCYOMJ-UHFFFAOYSA-N 254.761 3.719 30 20 CHED Cc1cc(SC[C@@H]2COc3ccccc3O2)ccc1C#N 1166399864 VYWBSAOGEVTIQE-AWEZNQCLSA-N 297.379 3.799 30 20 CHED CC(C)CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1310764419 NRMOOUGFNSCYCK-UHFFFAOYSA-N 289.379 3.513 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(C(C)(C)C)nn1C 1320068767 RNUBDAVHNAUVIW-LBPRGKRZSA-N 292.427 3.584 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CC)c1ccc(F)cc1 1320066053 ZHXYMRCMDNUCAC-FZMZJTMJSA-N 264.344 3.541 30 20 CHED C#CCCCc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 1327028053 OMHVAIBZVAEDRV-NSHDSACASA-N 286.400 3.879 30 20 CHED Cc1cccc([C@@H](C)Nc2cccc(CC#N)n2)c1C 1255095212 FAMAALJPCOXIFK-CQSZACIVSA-N 265.360 3.938 30 20 CHED CC(=NNc1ccn(C)n1)c1ccc(SC(F)F)cc1 1326243125 ZFEAVCXWKXKHTI-UHFFFAOYSA-N 296.346 3.571 30 20 CHED C[C@H](CC#N)N(C)C(=O)C(C)(C)CCCc1ccccc1 1337808802 QMZDDFCPZNXRPZ-OAHLLOKOSA-N 286.419 3.796 30 20 CHED C=C(C)CCC(=O)N(CCC)c1cccc([N+](=O)[O-])c1 1337578558 TYXHRYWQASIZAW-UHFFFAOYSA-N 276.336 3.694 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc(N2CCCCC2)n1C 1338641041 GQDLTZHQCDQOOY-MRXNPFEDSA-N 296.418 3.513 30 20 CHED N#Cc1cccc2c1CCN2Cc1cccc2ncccc12 1195315180 QEKXPXNNBCQHCO-UHFFFAOYSA-N 285.350 3.669 30 20 CHED CCCCCCCC(=O)[C@@H](C#N)c1ncc(Cl)n1C 1344862946 CIUCTWYCNXNKQV-LLVKDONJSA-N 281.787 3.610 30 20 CHED C[C@@H]1Cc2cc(/C=C3\CCc4ncccc4C3=O)ccc2O1 1343414366 FAFJIDQNXHAOIP-HLVNSREUSA-N 291.350 3.618 30 20 CHED CCN(CCC#N)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 103208005 USEQNKIJBBWPLH-LLVKDONJSA-N 296.823 3.583 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)Cc2cccs2)cc1C#N 1515134147 NFEYTSUEGXTMNR-CYBMUJFWSA-N 298.411 3.631 30 20 CHED CC[C@@H](C)CCCCC(=O)[C@@H](C#N)c1nccn1CC 1517046712 PISZUPGNPMNDPT-ZIAGYGMSSA-N 275.396 3.686 30 20 CHED CSc1ccc(O)c(C(=O)Nc2cccc(C#N)c2C)c1 1457696536 YGCKQYFMPIQJIG-UHFFFAOYSA-N 298.367 3.547 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2ccc(C#N)cc2)C1 1524764700 HUZJOQDLJDHRGD-CQSZACIVSA-N 257.333 3.684 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCN(C)C2(CCCCC2)C1 1460132059 PGHHVCLKKHMVQM-INIZCTEOSA-N 297.446 3.570 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cccc(C#N)c1 1460832006 HFQXSKVXUBUTRC-GJZGRUSLSA-N 270.376 3.503 30 20 CHED CCCC[C@H](Sc1nc(C)c(C#N)cc1Cl)C(=O)O 1605249583 GNWLBYHOHKFEFS-NSHDSACASA-N 298.795 3.651 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1ccoc1C(=O)O)C2=O 1600391884 UAGOJKQQHLDMLD-FMIVXFBMSA-N 296.322 3.807 30 20 CHED COc1cccc([C@@H](C)Nc2ccc(C#N)cc2F)c1 112012254 KBTWRSGLQWMBQV-LLVKDONJSA-N 270.307 3.879 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)Nc2ccc(C#N)cc2)C1 1464913145 QKROUSNOPDXYGU-YDHLFZDLSA-N 285.391 3.895 30 20 CHED CCCCCCC(C)=NNc1ccc(-c2nn[nH]n2)cc1 1604174403 ZAGJALSFMKRJAO-UHFFFAOYSA-N 286.383 3.625 30 20 CHED CCC1(CC)[C@H](Nc2cc(F)cc(C#N)c2)C[C@H]1OC 1462500774 AXVMIKLFSPHZAA-HUUCEWRRSA-N 276.355 3.703 30 20 CHED N#Cc1ccc(NCc2cc(F)ccc2F)c(F)c1 111761964 AOKGGILXRHQORS-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CC(C)[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 112675840 XZIKTDJZAHXSCW-IAGOWNOFSA-N 256.393 3.863 30 20 CHED Cc1cc(Oc2nc(C#N)c(Cl)s2)ccc1F 1612121699 GZAATDVMYRFIDX-UHFFFAOYSA-N 268.700 3.908 30 20 CHED FC(F)C(F)(F)CN[C@@H](c1ccccc1)C(F)(F)F 227767735 JEHSSTSCFOIWDK-QMMMGPOBSA-N 289.194 3.780 30 20 CHED CCc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1 5156260 UMMGBLRGZQUSSM-ZHACJKMWSA-N 252.313 3.851 30 20 CHED Cc1cc(C#N)nc(NC[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 1642182959 IUOCDQYPBFGKHC-ZFWWWQNUSA-N 286.423 3.921 30 20 CHED Cn1c(SCc2ccc(C#N)s2)nc2ccccc21 1643329974 BJUDPFYTGXMWMQ-UHFFFAOYSA-N 285.397 3.799 30 20 CHED C[C@@H]1C[C@@H](C)CN(CCSc2ccc(C#N)cc2F)C1 1643725204 YKURGXOHJCJFGX-CHWSQXEVSA-N 292.423 3.767 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1ccc(C)c(C#N)c1 1584200917 SJTCHAFXYBDXAA-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED CCC(CC)(CNc1nccc(C)c1C#N)SC 230080333 VXTBURNWBVMRHE-UHFFFAOYSA-N 263.410 3.595 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2cc(C#N)cs2)C1 1583955182 BGMMUXSKSUPFND-NSHDSACASA-N 276.405 3.566 30 20 CHED COc1ccc(Cl)c(CN2CCc3ccc(C#N)cc32)c1 1653167432 XFFCCOMHDQDRRE-UHFFFAOYSA-N 298.773 3.783 30 20 CHED CSc1c(F)cccc1NC(=O)c1cccc(C#N)c1 1586051813 FTMNEQCRUCMYIR-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2cccc(F)c2C(=O)O)C1 1594345151 NPIAHLHMFMPFKN-MNOVXSKESA-N 278.327 3.748 30 20 CHED CCOc1cccc(C=Nc2cccc(C(=O)O)c2C)c1O 1597150805 WZNUPHDBEROYPT-UHFFFAOYSA-N 299.326 3.548 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1cc(F)cc(C#N)c1 1672410214 KIIULYSMYWWGJJ-GHMZBOCLSA-N 289.354 3.644 30 20 CHED C[C@H](NC(=O)N[C@@]1(C)CCCC[C@@H]1C)c1ccc(C#N)cc1 1676107763 DIAOOUMGKPWCCO-DEYYWGMASA-N 299.418 3.887 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@@H]2CCC[C@H]21 1760366202 SQXGRIDJOAPSJN-QWHCGFSZSA-N 294.830 3.533 30 20 CHED C=CCN(CCc1ccccc1)[C@@H](C(=O)O)c1ccccc1 1776179668 OZMKPEUHDRKMKC-GOSISDBHSA-N 295.382 3.543 30 20 CHED C=C(CNC(=O)N1CCC[C@H](CC)CC1)c1ccccc1 1682940830 KDDGWCMIMMVDLV-INIZCTEOSA-N 286.419 3.922 30 20 CHED CSc1cccc(/C=C/c2nc(C(=O)O)ccc2C#N)c1 1777406324 MECSZZJFXLWIEC-FNORWQNLSA-N 296.351 3.544 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 158119672 LEMXTJYBDFQRTE-ZDUSSCGKSA-N 276.767 3.520 30 20 CHED CCN(CCC#N)Cc1nc2cc(C(F)(F)F)ccc2o1 151328597 XBLKBABOCDUSQP-UHFFFAOYSA-N 297.280 3.582 30 20 CHED C=CCCSCC(=O)Nc1ccc(OC(F)F)cc1 151989484 IJQLWDKKVIUCOP-UHFFFAOYSA-N 287.331 3.536 30 20 CHED C[C@H](c1ncc(-c2ccccc2)o1)N1CCC(C#N)CC1 152206740 XXVDUHZPLDJMHZ-CYBMUJFWSA-N 281.359 3.638 30 20 CHED CCn1c2ccccc2c2cc(CN(C)CC#N)ccc21 153024065 BEDQXYFVPBYTJK-UHFFFAOYSA-N 277.371 3.770 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)CCCC(C)C)CC1 153034851 PDRONXTVGVLQPK-INIZCTEOSA-N 266.473 3.831 30 20 CHED N#CCC[C@H](NC(=O)c1cccc(F)c1)c1ccccc1 153203092 NXFWOZKHFIZNLS-INIZCTEOSA-N 282.318 3.601 30 20 CHED CCCCCCC[S@](=O)c1ccc(NC(C)=O)cc1 153520682 BVJCMHXTCBBBHG-LJQANCHMSA-N 281.421 3.723 30 20 CHED C=CCCCNc1cc(NC(=O)C(C)C)ccc1C 157151352 GPYIEOAYJKNPTI-UHFFFAOYSA-N 260.381 3.968 30 20 CHED C[C@H](NC(=O)C1CCC(C)(C)CC1)c1ccc(C#N)cc1 156539079 BMUFASXXGQWLHB-ZDUSSCGKSA-N 284.403 3.952 30 20 CHED O=C1/C(=C\c2ccccc2Cl)Oc2cc(O)ccc21 542071 JRUSQMJYCWZQOD-VGOFMYFVSA-N 272.687 3.662 30 20 CHED in-vitro CCCCC[C@H](C)NC(=O)Nc1cccc(C#N)c1 915309050 WNZILIIGKKZFJW-LBPRGKRZSA-N 259.353 3.649 30 20 CHED CCC1(CC)CCN(Cc2cc(C#N)ccc2OC)C1 130487345 XJDASRQLLOHJDA-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)[C@H]1C[C@H]2CC[C@H]1C2 251458539 CMIBBLBKTLHAMH-ZDEQEGDKSA-N 258.340 3.934 30 20 CHED C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 37333815 BZHLYCVDMMDIGV-SNVBAGLBSA-N 268.282 3.813 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 44814538 BFFRDSKLDKHWNU-SSDOTTSWSA-N 290.672 3.847 30 20 CHED C#CCCCN[C@@H](c1ccccc1)c1ccc(F)cc1 177385089 FMEQTCWUUXUDGW-SFHVURJKSA-N 267.347 3.918 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC[C@H]1CCCCO1 657970701 FQTAODJTJTXKJF-BZUAXINKSA-N 251.414 3.670 30 20 CHED N#CCCN(CC1CC1)C(=O)c1cc2cscc2s1 528417795 RTCMEBVXGWUDMB-UHFFFAOYSA-N 290.413 3.729 30 20 CHED C=CC[C@@H](C)N[C@@H](COCc1ccccc1)C(C)C 446928241 KOAVPZORLOHRFX-WBVHZDCISA-N 261.409 3.782 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1F 488844568 OKUURHDNVGCLIS-LLVKDONJSA-N 267.731 3.660 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(F)cc1 594712516 PPAYOIQZENYPNY-GFCCVEGCSA-N 253.386 3.786 30 20 CHED N#Cc1ccc(COc2cc(Cl)cc(C#N)c2)cc1 382281039 GXDDHHIXVGBQIW-UHFFFAOYSA-N 268.703 3.662 30 20 CHED C=CCN(CCCO)C(c1ccccc1)c1ccccc1 109132263 ZQXLDALORCUORS-UHFFFAOYSA-N 281.399 3.646 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H](c3ccccc3)C2)n1 50266892 WRWDLWNODHBRGS-INIZCTEOSA-N 277.371 3.564 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccnc(Cl)c2)cc1 171028964 OJANAXVSPABGMY-UHFFFAOYSA-N 299.761 3.604 30 20 CHED C=CCCCOC(=O)[C@H](C)CC(=O)c1cccc(F)c1 173589858 FUMOJNOZMFODOE-GFCCVEGCSA-N 278.323 3.544 30 20 CHED CN(CC#N)C(=O)C1(c2ccc(Cl)cc2)CCCCC1 101514961 WGSVXQOXHRWONZ-UHFFFAOYSA-N 290.794 3.524 30 20 CHED CCCC[C@@H](NC(=O)c1cc(C#N)cs1)C1CCC1 177126026 KSTNWYKQNIKRFC-CYBMUJFWSA-N 276.405 3.708 30 20 CHED C=CCSCc1cc(C(C)=O)ccc1OCC 172189960 NTHHBIPSIWRJNR-UHFFFAOYSA-N 250.363 3.707 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc3c(c2)CCC3)cn1 172818189 BQMLZSJVIIXWMR-VQHVLOKHSA-N 280.371 3.849 30 20 CHED C[C@@H](CNc1cc(Br)c(C#N)cc1F)C1CC1 310294176 LFEGOZCGHTWEGT-QMMMGPOBSA-N 297.171 3.918 30 20 CHED C[C@@H](OC(=O)CC1CCCC1)c1ccc(C#N)cc1 175767126 NVWLBVTZYJQSPZ-GFCCVEGCSA-N 257.333 3.743 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C/c1cccs1 178388925 PJTIKDOUYNAALX-BQYQJAHWSA-N 268.341 3.580 30 20 CHED CCCCCCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 113179029 MWMSNFXQFPNFFB-AWEZNQCLSA-N 278.783 3.991 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-c2cccs2)nc1C 116863420 AGHJUCVOONEYOZ-LLVKDONJSA-N 286.400 3.813 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)OCc2cccc(C#N)c2)C1(C)C 111476416 NGTRBEQCNBMLRY-HZPDHXFCSA-N 283.371 3.840 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCC[C@@H](C)C1 178375978 JLKJIATVBUACMF-YPMHNXCESA-N 256.349 3.632 30 20 CHED C[C@@H](OC(=O)[C@H]1CC=CCC1)c1ccc(C#N)cc1 175806261 HGFSISXUWPYHTJ-DOMZBBRYSA-N 255.317 3.519 30 20 CHED Cc1ccc(C(C)(C)CN(C)CC2(CC#N)CC2)cc1 1191243607 DQXJQOFPYSEIBA-UHFFFAOYSA-N 270.420 3.898 30 20 CHED C#CCCCN[C@@H](C)c1cc(Br)ccc1F 178058479 RNWKRQPIYLPANO-JTQLQIEISA-N 284.172 3.652 30 20 CHED Cc1cc(F)cc2c(N3C[C@@H](C)[C@H](C)C3)c(C#N)cnc12 301467891 YOWJYSKSLGKWOZ-VXGBXAGGSA-N 283.350 3.646 30 20 CHED Cc1nc(N[C@H](C)CCc2ccccc2)ccc1C#N 312353766 YBRNZMSZQKXZJV-CYBMUJFWSA-N 265.360 3.695 30 20 CHED N#Cc1ccccc1NC(=O)C1(Cc2ccccc2)CC1 176818876 RWYKGBDFXWHLHW-UHFFFAOYSA-N 276.339 3.520 30 20 CHED CCSCCNc1ccc(C#N)c(C(F)(F)F)c1 229512454 XPKBRPPOLAARSW-UHFFFAOYSA-N 274.311 3.742 30 20 CHED COc1ccc([C@@H](Nc2cccc(C#N)n2)C(C)C)cc1 301503549 GAWGEFMIZNGLBM-KRWDZBQOSA-N 281.359 3.771 30 20 CHED CC1(C)[C@H]2CN(c3c(C#N)cnc4ccc(Cl)cc34)C[C@H]21 301429533 FOLUKTVQAXEVJQ-OKILXGFUSA-N 297.789 3.852 30 20 CHED CO[C@H](CNCC(C)(C)CCC#N)c1ccccc1Cl 124929621 ZLWWCWCAIKAOBU-OAHLLOKOSA-N 294.826 3.947 30 20 CHED C=CCSc1nc(-c2ccccc2Br)n[nH]1 78458389 QFEAIKDPFQVDSD-UHFFFAOYSA-N 296.193 3.512 30 20 CHED C[C@H](CC1CCCC1)C(=O)NC1(C#N)CCCCC1 72572243 ZNJCFBAHDQUAHG-CYBMUJFWSA-N 262.397 3.545 30 20 CHED C=CC[C@H](CO)CNCc1ccc(-c2ccccc2)cc1F 503592104 LFONVRCQZJPRGD-HNNXBMFYSA-N 299.389 3.767 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)CC1CC1)c1ccccc1 187984720 WSROMMGTDVUAAE-BBRMVZONSA-N 257.377 3.651 30 20 CHED O=C1/C(=C/c2ccsc2)COc2c(F)ccc(F)c21 181474218 LRPKRNUZRZMBOU-WEVVVXLNSA-N 278.279 3.685 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H](C)CC(F)(F)F)c1 413540046 UOXMDMCMFOTCFA-SECBINFHSA-N 284.281 3.761 30 20 CHED C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccsc1 78119556 DMEPDCILETUEJC-GFCCVEGCSA-N 278.421 3.640 30 20 CHED CC/C(=C\C(=O)N[C@@H](CC)CC#N)c1ccc(C)cc1 183944095 TXPPWPBNFBQHJZ-GRNBYLDVSA-N 270.376 3.597 30 20 CHED CC[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)cc1 414348347 ODAPDWZFSSHGMC-BZUAXINKSA-N 266.344 3.748 30 20 CHED CCN(CCC#N)Cc1cc(Cl)c(OC)cc1Cl 127686592 UNYWNXGXKCZOEJ-UHFFFAOYSA-N 287.190 3.738 30 20 CHED C[C@H]1CN(CCC2(C#N)CCCCC2)CCC1(F)F 411744936 HDVZICJXAISTKS-ZDUSSCGKSA-N 270.367 3.828 30 20 CHED C[C@H](C(=O)OC(C)(C)C)N(CCCC(C)(C)C#N)C1CC1 411903929 KUDRFTDTZDKURW-CYBMUJFWSA-N 294.439 3.511 30 20 CHED C=CC[C@@H](C(=O)Nc1ccncc1C)c1ccccc1 187726016 NRKZMVQEWFFXEL-OAHLLOKOSA-N 266.344 3.688 30 20 CHED N#CCOc1cccc(NCc2cccc3cccnc23)c1 315922381 UFGGHRQYJVYSQA-UHFFFAOYSA-N 289.338 3.749 30 20 CHED C=CC(C)(C)C(=O)N1CCOc2ccc(C(F)(F)F)cc21 410573637 LGAHDZDSBNLELN-UHFFFAOYSA-N 299.292 3.643 30 20 CHED Cc1ccccc1NC(=O)N(CCC#N)CCC(C)C 78438463 OGCITBBMPHUAJN-UHFFFAOYSA-N 273.380 3.789 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 181565640 UJTFZTGDTLQFRX-UHFFFAOYSA-N 271.364 3.528 30 20 CHED C=C[C@@H](CC(=O)NCC(C)(C)CCOC)c1ccccc1 185745976 LALFBYBFSSQCPW-HNNXBMFYSA-N 289.419 3.525 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCCc3cc(C#N)ccc32)n1 419011828 CBBDLNVKWDLUTE-KRWDZBQOSA-N 288.354 3.623 30 20 CHED N#C[C@@H](CC(F)(F)F)C1CCN(Cc2ccccc2)CC1 1537963544 PVBQKWNRXUYERS-OAHLLOKOSA-N 296.336 3.991 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCC[C@@H]1CC 79541628 XZZYJNPNYLALCG-KBPBESRZSA-N 252.402 3.563 30 20 CHED C=CC[C@H](C(=O)Nc1cc(C)ccn1)c1ccccc1 186219910 ABSXCGSTHJIDME-HNNXBMFYSA-N 266.344 3.688 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 410990013 VLYKQMXIAKVEPW-ZJUUUORDSA-N 276.405 3.900 30 20 CHED Cc1cc(N=C(O)[C@@H]2CCC(=O)[C@@H](C)C2)nc(C(C)C)n1 328904291 JDQWDVNERPXOLV-CMPLNLGQSA-N 289.379 3.502 30 20 CHED CO[C@@H]1CCCC[C@H]1C(O)=Nc1cnc2c(c1)CCCC2 329072067 ZISONJAOGMOIGE-GDBMZVCRSA-N 288.391 3.754 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccncc1 221984288 BIOGHONFIQDEBD-UTCJRWHESA-N 275.254 3.579 30 20 CHED C[C@@H](SC[C@H]1CCCCO1)c1cccc(C#N)c1 190782597 DHTZAVKQRCIETB-IUODEOHRSA-N 261.390 3.922 30 20 CHED CC(C)(C)c1csc(CN[C@@H]2CCC[C@H](C#N)C2)n1 192835288 WGPWRHVRJMDBKE-NWDGAFQWSA-N 277.437 3.613 30 20 CHED CC1(CC(=O)N(Cc2ccco2)c2ccccc2C#N)CC1 428290318 XCYPGQNZOBKJJO-UHFFFAOYSA-N 294.354 3.875 30 20 CHED C=CC[C@H](NCc1cccc(Oc2ccccc2)c1)C(=O)O 426821870 XLLJEYHJYWYNOB-KRWDZBQOSA-N 297.354 3.598 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cnc3c(c2)CCCC3)CCC1=O 329304243 OFPIXEDZSHIKSJ-AAEUAGOBSA-N 286.375 3.554 30 20 CHED OC1=N[C@H](C2CC2)[C@@H](/N=C(/O)c2sccc2Cl)CC1 329132516 YKXNQZGINLKIBJ-GXSJLCMTSA-N 298.795 3.604 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccc(C(C)(C)CC)cc1 516123381 UEHLGWIFLWMQFT-KRWDZBQOSA-N 275.392 3.640 30 20 CHED CC(C)(C#N)CCCNc1ccc(C#N)cc1Cl 225235879 NCICCWFMFJQDQF-UHFFFAOYSA-N 261.756 3.954 30 20 CHED C=C(Br)CNC(=O)N(CCCC)CCCC 195247595 BDBGRARTBZNMBC-UHFFFAOYSA-N 291.233 3.507 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2c(c1)CCC=C2 519725996 UITIZCJLBPYJOE-INIZCTEOSA-N 255.361 3.731 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(Cl)c1N(C)C 192637087 OSYGRWBVFDRGLM-UHFFFAOYSA-N 293.798 3.612 30 20 CHED Cc1cccc(-c2cncc(C(=O)O[C@H](C)CC#N)c2)c1 132299470 FMUTVDCPOZMOAK-CYBMUJFWSA-N 280.327 3.516 30 20 CHED CC(C)(C)c1csc(C/N=C(/O)N[C@@H]2C=CCCC2)n1 329793369 AZOHGCNJPHFPFD-LLVKDONJSA-N 293.436 3.553 30 20 CHED CC1(C)Cc2cc(/C=C\c3ccc(C#N)cn3)ccc2O1 511044787 MLDKGHFNLNWLFT-UTCJRWHESA-N 276.339 3.837 30 20 CHED C=CCC1(C(=O)OCc2ccc(Cl)nc2)CCC1 192115463 JPHIDQWWSQMTJH-UHFFFAOYSA-N 265.740 3.525 30 20 CHED C=C1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1 336338064 UVWCLWXXTOPJDQ-UHFFFAOYSA-N 264.756 3.832 30 20 CHED Cc1cc(CN(C)Cc2cccc(C#N)c2)c(C)s1 194378588 RUDCZDPKPCMQCY-UHFFFAOYSA-N 270.401 3.869 30 20 CHED C#CCCCC(=O)OCc1sc(-c2ccccc2)nc1C 192282432 XOPXYWIOYYDWPZ-UHFFFAOYSA-N 299.395 3.965 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(Br)s1 161729414 WXGLUODLRSCKRY-ZETCQYMHSA-N 280.618 3.914 30 20 CHED CC(C)c1ccccc1N(C)C(=O)c1ccc(C#N)o1 335899648 FOFKWGAQRMZSLT-UHFFFAOYSA-N 268.316 3.551 30 20 CHED CC(C)O[C@@H]1C[C@H](/N=C(/O)C[C@@H]2CCC(=O)[C@@H]2C)C1(C)C 330021866 YORPIADWHSMSRO-PAPYEOQZSA-N 295.423 3.540 30 20 CHED N#CCc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 335132866 HNIMZNBCQZKFMR-UHFFFAOYSA-N 294.398 3.908 30 20 CHED CCc1nc(C)c(CN(CCC#N)CC(CC)CC)o1 428243472 IJGJALKLSCLYJP-UHFFFAOYSA-N 277.412 3.697 30 20 CHED C=CCN(CC=C)Cc1c(C)cc(C)c(C(C)=O)c1C 96969276 IDLOLSAJMSJVHX-UHFFFAOYSA-N 271.404 3.988 30 20 CHED COc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 90340170 TXFHUNKEUKDJQX-LBPRGKRZSA-N 284.334 3.557 30 20 CHED Cc1ccc(C)c(/C(O)=N/[C@@](C)(C#N)CC(C)C)c1 330479301 LVWXDDDCJFTZSO-MRXNPFEDSA-N 258.365 3.936 30 20 CHED CC(=O)[C@@H](Cc1ccccc1F)Sc1ccc(C#N)cc1 436197845 ZYYFZIWUSIQMDC-QGZVFWFLSA-N 299.370 3.990 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccc2c(c1)CCO2 96939732 ZHTYKDMRILCRPL-DJWKRKHSSA-N 286.277 3.796 30 20 CHED N#CCC1(CN[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 430758149 ZKZLNRADJTYEBI-DLBZAZTESA-N 268.404 3.681 30 20 CHED CC[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N 94336917 KAXPDKGEELJWEZ-ZETCQYMHSA-N 260.284 3.863 30 20 CHED CCCC[C@@H](CC)CC(=O)N(CCC#N)CC1CC1 522669680 CBSHEIAAMFIHJU-CQSZACIVSA-N 264.413 3.745 30 20 CHED N#CC1(C(=O)OCc2nc(C3CC3)cs2)CCCCC1 91139826 YJLHHLGKTDNBBO-UHFFFAOYSA-N 290.388 3.538 30 20 CHED Cc1ncccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 527989358 YCKUABJGYJUNJY-LJQANCHMSA-N 291.398 3.819 30 20 CHED Cc1cccc([C@H](C)C(=O)N(C)c2ccc(C#N)cc2)c1 439934276 KLNMHYAEVYNDEU-AWEZNQCLSA-N 278.355 3.633 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](C(C)C)C1 436313668 BUEYUTKEEDPKSQ-GJZGRUSLSA-N 266.429 3.809 30 20 CHED Cc1cc(CNC2(C)CCC(F)(F)CC2)ccc1C#N 618195902 XWNLUCHUFKCGKF-UHFFFAOYSA-N 278.346 3.924 30 20 CHED C#CCCCCC(=O)Nc1cc(Cl)ccc1N(C)C 179866705 SBBZZJYLCLBQAW-UHFFFAOYSA-N 278.783 3.538 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc2c(c1)CCC2 436290249 IYEMMUAOYDRICJ-CCKFTAQKSA-N 285.431 3.807 30 20 CHED C=C(C)[C@H](NC(=O)N[C@@H]1C[C@H]1CC)c1ccc(F)c(F)c1 437810568 MYHCESWOECXRSN-KMUNFCNLSA-N 294.345 3.680 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1Cl 439430216 KZCHPYXEIVLNDE-UHFFFAOYSA-N 295.773 3.715 30 20 CHED C=CCOCC(=O)N(Cc1ccccc1F)c1ccccc1 520631405 DOMDWNAWVXUJSM-UHFFFAOYSA-N 299.345 3.562 30 20 CHED CC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)cc1 346224831 REXZEFNBTMBHPS-UHFFFAOYSA-N 296.345 3.748 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 248407120 BLDRGNHBOBVFJA-YLQAJVPDSA-N 297.402 3.909 30 20 CHED C=CCC1(NC(=O)c2cc(Br)co2)CCCC1 619110226 FNPGUIZDSIDGEC-UHFFFAOYSA-N 298.180 3.661 30 20 CHED CCCCNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 521787007 HNJRZBXLJIDUFU-UHFFFAOYSA-N 287.407 3.526 30 20 CHED COC[C@@H](C)N(CC1(CC#N)CC1)[C@H]1CCc2ccccc21 602915349 BGRRIFHUIBGEAL-QAPCUYQASA-N 298.430 3.705 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H]2CCCO[C@H]2c2ccccc2)C1 248901658 UMDQWCDDANMXKH-YSHGAJCASA-N 298.430 3.826 30 20 CHED C=CCC[C@H](NCc1cccc(CN(C)CC)c1)C1CC1 439005935 WSBCBNRDZNDNJN-IBGZPJMESA-N 286.463 3.973 30 20 CHED N#Cc1ccc(/C=C\c2nc(C3CCCC3)no2)cc1 521029026 UZYWVBDXROKLPN-KTKRTIGZSA-N 265.316 3.769 30 20 CHED COc1cccc(/C=N\Cc2cccc3cccnc23)c1O 255659315 KBMPMBCPFYMGOK-UNOMPAQXSA-N 292.338 3.568 30 20 CHED Cc1ccc2[nH]c(C(=O)N(CCC#N)C(C)C)cc2c1C 524197261 HOIGJACGDJSLOI-UHFFFAOYSA-N 283.375 3.549 30 20 CHED C=CCN(Cc1ccccc1F)C[C@@H](C)CCC#N 602447232 CEXJWCWZJPJJOS-AWEZNQCLSA-N 260.356 3.754 30 20 CHED COc1ccc2c(c1F)CC[C@@H]2NCC(C)(C)CCC#N 344142566 ZZRJKDGCCJNVRD-AWEZNQCLSA-N 290.382 3.741 30 20 CHED CC(C)(NC(=O)Nc1ccc(CC#N)cc1)c1cccs1 609743580 MDZHXRVDDJGPTE-UHFFFAOYSA-N 299.399 3.871 30 20 CHED CC[C@@H](CC(=O)NCC1(CC#N)CC1)c1ccc(C)cc1 431133084 REMSWSRVFQGYSH-HNNXBMFYSA-N 284.403 3.689 30 20 CHED CCc1cccc2c1OCC[C@@H]2NCc1cc(C#N)cs1 344276538 SIEUEUSFDJPHTQ-INIZCTEOSA-N 298.411 3.796 30 20 CHED N#Cc1ccc(Cn2ccc(-c3cccs3)n2)c(F)c1 347957351 DPEMGHJICOOSDM-UHFFFAOYSA-N 283.331 3.671 30 20 CHED COc1ccccc1C=NOCc1cccc(Cl)c1 255311996 VHYXSCVEAHTSKG-UHFFFAOYSA-N 275.735 3.899 30 20 CHED C=C(CC)CN1CCC[C@H]1c1ccc(OC)cc1OC 537993698 ZXUVZRBHUUZTSA-INIZCTEOSA-N 275.392 3.807 30 20 CHED N#CCCCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 603889858 ABCVBQOKMWLAHA-HNNXBMFYSA-N 267.376 3.651 30 20 CHED Cc1ccc(CCCNc2cccc(CC#N)c2)cn1 449698520 NEVPMDWTUAAXHV-UHFFFAOYSA-N 265.360 3.501 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 342144766 CDGUBOQRLIIJKZ-UHFFFAOYSA-N 287.322 3.806 30 20 CHED Cc1sc(NC(=O)C[C@H](C)c2ccco2)c(C#N)c1C 602225351 BMEDQCCGNSVQJM-VIFPVBQESA-N 288.372 3.962 30 20 CHED C=CC[C@H]1N(Cc2cc(C(=O)OC)co2)CCCC1(C)C 444773423 DEVSUTJMHWGGQV-OAHLLOKOSA-N 291.391 3.633 30 20 CHED N#Cc1cccnc1N1CCc2c1cccc2C(F)(F)F 353266645 NYOZDAGFKKRLDI-UHFFFAOYSA-N 289.260 3.666 30 20 CHED COc1cc(CN(C)c2ccc3cc[nH]c3c2)ccc1C#N 443076595 YLGBSTLKYADDNM-UHFFFAOYSA-N 291.354 3.685 30 20 CHED C=CCCC1(C(=O)NCC2(c3ccccc3OC)CC2)CC1 355463323 ZMLHRBHPBBJJIN-UHFFFAOYSA-N 299.414 3.589 30 20 CHED C[C@H](CCC#N)CN(CCC(F)(F)F)CC(F)(F)F 602645122 TWXSMMHXVZERQO-SECBINFHSA-N 290.251 3.743 30 20 CHED CC[C@H](NCc1cccc(F)c1)c1ccc(C#N)cc1 447537940 ZSJMZTCRDHUELH-KRWDZBQOSA-N 268.335 3.938 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 448817022 BNUNAMITBYCJOO-FGTMMUONSA-N 296.414 3.731 30 20 CHED CC(C)(C)[C@@H](NC(=O)CON=C1CCC1)c1cccs1 268575799 LBRYJZIGYIOBIH-AWEZNQCLSA-N 294.420 3.508 30 20 CHED CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1c(C)noc1C 353268987 SIFGHQYZVSNOCS-IRXDYDNUSA-N 295.386 3.891 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccccc2cc1OC 614222445 YARGEIUVOKUECV-UHFFFAOYSA-N 283.371 3.887 30 20 CHED C[C@@]1(C#N)CCCN(C/C=C/c2ccc(F)cc2F)C1 612581956 BVUFJQDSRPQCFL-ICTCPBKTSA-N 276.330 3.604 30 20 CHED C[C@]1(N[C@@H]2CCC[C@H](C#N)C2)CCCc2ccccc21 618573792 QEGNPNATQDXUPM-LESCRADOSA-N 268.404 3.910 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)CCc1ccccc1 539602224 CMKXKAVKHOXZJA-HOCLYGCPSA-N 274.408 3.662 30 20 CHED C=CCN(C(=O)CCCOc1ccccc1Cl)C1CC1 537933367 VKHNVTOBPZOPPX-UHFFFAOYSA-N 293.794 3.676 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(OCC#N)cc1 264540344 HFPSEQSYKVGLJI-RHSMWYFYSA-N 272.392 3.599 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 617787087 HIIXEMMECPEOFN-LBPRGKRZSA-N 286.350 3.735 30 20 CHED CCN(Cc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C 444659260 HIKZMJVDKKZYGI-PBHICJAKSA-N 256.393 3.959 30 20 CHED CCOc1ccc(OCC)c(N[C@@H]2CC[C@@H](C#N)C2)c1 442871663 XDIITBYKBYCTQY-CHWSQXEVSA-N 274.364 3.588 30 20 CHED CC[C@](C)(NCc1ccc(F)c(C#N)c1)C(F)(F)F 533066982 JXKILXXAAODQOB-LBPRGKRZSA-N 274.261 3.518 30 20 CHED CSCC1CCC(NC2CCC(C)(C#N)CC2)CC1 449421606 JDQHIAMAILCFFZ-UHFFFAOYSA-N 280.481 3.970 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCc3ccc(OC)cc32)C1 617780523 WQQKNDGEKBMCHK-WMLDXEAASA-N 299.414 3.540 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc2ccncc12 537188112 OJKADCBQZLPDII-UHFFFAOYSA-N 298.386 3.936 30 20 CHED CC[C@@H](CSC)N(C)CC#Cc1cccc(Cl)c1 539098653 LJJKFOGFMOTSNT-HNNXBMFYSA-N 281.852 3.765 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)c2ccsc2)C1 617784686 XOBPQORJVGTNCG-CHWSQXEVSA-N 263.406 3.666 30 20 CHED Cc1cccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1F 537253607 KJIXDZHZLJUJLE-LBPRGKRZSA-N 297.333 3.889 30 20 CHED C=C(CC)CNC(=O)N1CCCn2c(cc3ccccc32)C1 455534017 KELHSMCFAXQYME-UHFFFAOYSA-N 297.402 3.523 30 20 CHED CC(C)c1ccc([C@@H](C)N2CC[C@](F)(C#N)C2)cc1 615646154 RNPGPIWGEIHGLP-CJNGLKHVSA-N 260.356 3.809 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2C2CC2)c(OC(F)F)c1 610613809 VLXDINRIZKLFFB-AWEZNQCLSA-N 292.329 3.534 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc(Cl)c(Cl)c2)C1 613661040 XYQWHKVOTMECSD-ONGXEEELSA-N 269.175 3.775 30 20 CHED C=C(CC)CNC(=O)c1ccc(-c2csc(C)n2)cc1 456814826 VTATUQVJGFOLRN-UHFFFAOYSA-N 286.400 3.815 30 20 CHED CC[C@@H]1CC[C@H](C)N(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 456815037 DIXZAQPDZLDGFP-SOUVJXGZSA-N 284.403 3.699 30 20 CHED C=C(C)COc1cccc(N[C@H]2CCO[C@@H](C)C2)c1 272143296 PELITTNEAJHNLO-ZFWWWQNUSA-N 261.365 3.621 30 20 CHED C[C@@H](CNC(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 360458771 ZZXIFISNBSOUAY-NSHDSACASA-N 298.308 3.619 30 20 CHED C=CCCCCNC(=O)Nc1cc(F)ccc1Cl 547448269 NNGPYWULTSWNOE-UHFFFAOYSA-N 270.735 3.957 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cc(OC)c(OC)cc1F 453305106 HBFGNOLVBGCXBM-LLVKDONJSA-N 281.371 3.706 30 20 CHED C[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)C1CCCC1 619762566 MDCVADLBLDURSU-LLVKDONJSA-N 290.794 3.654 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H]1c1cccc(C)n1 368411166 NAUOLKBXEFLHCP-MRXNPFEDSA-N 287.407 3.593 30 20 CHED C=CCC1(C(=O)NCc2ncc(C(C)(C)C)o2)CCCC1 450018560 PKSCUXZKKIFKON-UHFFFAOYSA-N 290.407 3.725 30 20 CHED CC(C)CC1(CNC(=O)c2cccc(C#N)c2)CCC1 362575717 DAADMUUVMFKMCP-UHFFFAOYSA-N 270.376 3.504 30 20 CHED N#CCCCCNCCCc1c(F)cccc1Cl 278563264 BMSPFVSZRYMNCD-UHFFFAOYSA-N 268.763 3.695 30 20 CHED Cc1cc(O[C@@H](C)c2nc(C(C)C)no2)ccc1C#N 277468774 JMGPHEQXMONZFW-NSHDSACASA-N 271.320 3.513 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1C[C@H](C)c2ccccc21 453379261 YVLNQRBNCPYUCH-IEAZIUSSSA-N 257.377 3.558 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(OC(C)(C)C)CC1 275071993 KQWLZQAGVCXSPN-AWEZNQCLSA-N 286.419 3.899 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2ccc(CC#N)cc2)CS1 277388172 YBQBVQAYBOVNBS-HUUCEWRRSA-N 260.406 3.695 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(-n2cccn2)cc1 467413748 OPKVRUCJUIENMT-ZBFHGGJFSA-N 269.392 3.878 30 20 CHED C=CCCCCNC(=O)c1cn(C)nc1C1CCCCC1 274611827 KIZKCCUJFYIVMC-UHFFFAOYSA-N 289.423 3.554 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)N1CCC(CC#N)CC1 541978994 JKDKHRSRBSNNPE-QGZVFWFLSA-N 290.451 3.991 30 20 CHED N#CCCN1CCC[C@@H]1c1cc(F)cc(Br)c1 373349500 VBFPDILTYCHVSB-CYBMUJFWSA-N 297.171 3.639 30 20 CHED N#Cc1cc(N2CCC(c3cccc(F)c3F)CC2)ccn1 376471038 BJXPZUGSCINTGS-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)C(C)(C)C 622944240 KRRWVKQQYDPRRK-KBPBESRZSA-N 293.357 3.881 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1ccccc1C(F)(F)F 280973057 VNBHYWWWYFEHAX-WCQYABFASA-N 284.325 3.918 30 20 CHED CC(C)CC[C@@H]1CCCCN1c1ccnc(C#N)c1 550388583 VEZFJIDQOMEBNJ-HNNXBMFYSA-N 257.381 3.748 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(F)c(F)c(F)c1 280898387 QXNDESZYCRCUIB-MMPTUQATSA-N 299.336 3.736 30 20 CHED C=C[C@H](C)NC(=O)c1cc2c(s1)CCCCCC2 465114462 MDWSXKQUMQWFTM-NSHDSACASA-N 263.406 3.711 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)cc(Br)c1 466673250 RWDITNCALWSGAX-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=CCOCCN1CCC[C@H]1c1cccc(Cl)c1 555314737 NTUSUMJWMBGHTM-HNNXBMFYSA-N 265.784 3.680 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 462605808 IUORNZCHLMPCII-KGLIPLIRSA-N 270.376 3.523 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@H]1CCC(C)(C)C1 464503550 WPSDHFMLPHFBAL-AWEZNQCLSA-N 287.403 3.902 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 464643332 MJZJITJWYBPVLE-MRXNPFEDSA-N 294.329 3.996 30 20 CHED C=CCC[C@H](C(=O)NC[C@H]1CCSC1)c1ccccc1 280162401 NNAPVRADCBPEFI-ZBFHGGJFSA-N 289.444 3.606 30 20 CHED C=CCC(C)(C)CNCc1ccnn1-c1ccc(F)cc1 550225805 RDXGKYPIOZLLHR-UHFFFAOYSA-N 287.382 3.703 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@H]1C 466699781 LODRSCQHBTYUHU-WBVHZDCISA-N 286.419 3.820 30 20 CHED C=CCCCCCCNC(=O)CCCc1nccs1 287262735 XVGHWQMGQHUCOY-UHFFFAOYSA-N 280.437 3.719 30 20 CHED Cc1cc(=N[C@@H](C)c2ccc(OC(C)C)cc2)cc(C#N)[nH]1 558914706 PXDBHCUIQPQKDA-AWEZNQCLSA-N 295.386 3.644 30 20 CHED C=CCCCCCCNc1ccc2nnc(C(F)F)n2n1 286417272 MSIBYPDRZXMTCS-UHFFFAOYSA-N 295.337 3.610 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C)c(C)o1 282735369 MVKCDCSBVGQIHF-INWMFGNUSA-N 263.381 3.528 30 20 CHED CSCc1cccc(NC(=O)c2cc(C#N)oc2C)c1 555854544 GHPSLPULGDGKIX-UHFFFAOYSA-N 286.356 3.575 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F 282380590 JBSFHFOBWKUUAI-UHFFFAOYSA-N 292.310 3.749 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1ccc(C(F)(F)F)nc1 285946800 ZBPBYGDVGGAKQX-LLVKDONJSA-N 299.292 3.898 30 20 CHED C=C(C)CS[C@H]1CCCN(c2cccc(F)c2)C1=O 477001644 MOBYCOUQAHMGIR-AWEZNQCLSA-N 279.380 3.630 30 20 CHED CO[C@@](C)(CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 384296857 GVSBZHRAQDYJAZ-KXBFYZLASA-N 294.398 3.771 30 20 CHED CC(C)c1nc(C(=O)/C=C2/COc3ccc(F)cc32)co1 806557390 AWOGRDMINCFJFF-YHYXMXQVSA-N 287.290 3.596 30 20 CHED C=CC1CCN(C[C@H](O)Cc2ccc3ccccc3c2)CC1 470772617 KQYVUPUTUVMYFK-HXUWFJFHSA-N 295.426 3.641 30 20 CHED CCCCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[C@H](C)C1 294105384 JQUPMVBSBMKXRS-XJKSGUPXSA-N 287.407 3.707 30 20 CHED CC(C)Oc1ccc(NC(=O)CCCC#N)c(Cl)c1 292243256 JQPMEZKVDCUIDU-UHFFFAOYSA-N 280.755 3.760 30 20 CHED C=CCC1(C(=O)N=c2cc[nH]c(C)c2Cl)CCCC1 649365502 JIJZJKYAJPVCSU-UHFFFAOYSA-N 278.783 3.540 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 809975982 XZICRRTVSFAXCW-YQVWRLOYSA-N 295.426 3.686 30 20 CHED N#CCCCC(=O)Nc1nc2c(Cl)cccc2s1 292308335 NGPXVHIHSJRBHL-UHFFFAOYSA-N 279.752 3.582 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)cc(C)c2)[C@H]1SC 807955141 OIJZGSMXXBFIKZ-LSDHHAIUSA-N 278.421 3.612 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H]1CCC(F)(F)C1 479856449 YCESBIICZKUDLA-HNNXBMFYSA-N 293.357 3.679 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 568113381 IQNCIABWUKTWAU-NSHDSACASA-N 292.810 3.869 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)CCCCCC#N 808482111 JPCNOCTXLBNPJS-AWEZNQCLSA-N 286.375 3.583 30 20 CHED CCC[C@@H](OC)C(=O)Nc1cc(C(C)(C)C)sc1C#N 297588523 CHMNVLMFQBVKNI-LLVKDONJSA-N 294.420 3.671 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)c1cccc(OCC)c1 488981022 MRBXJVZFCNUUFE-CQSZACIVSA-N 298.386 3.564 30 20 CHED Cc1cc(NC(=O)Nc2scc(C)c2C#N)ccc1O 569194659 UVHRORCCIIGNJC-UHFFFAOYSA-N 287.344 3.586 30 20 CHED C=CCOc1cccc(CN2CCCC[C@@H]2c2cc[nH]n2)c1 567520459 QLRRYNVDTQFHTE-GOSISDBHSA-N 297.402 3.702 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccc(OC(F)F)cc1 567261773 MBKXRKZKZDXZNP-UHFFFAOYSA-N 297.345 3.549 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H](C)c1ccccc1 812396731 YCIOFTNFKIQKAL-FDIDITGRSA-N 269.344 3.623 30 20 CHED C#Cc1ccc(CNc2ncccc2CCCCOC)cc1 812808024 OZVIGBJUXXDUEX-UHFFFAOYSA-N 294.398 3.644 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCCOc1ccccc1 486136713 LOFDYXWXQYLUKH-UHFFFAOYSA-N 296.370 3.836 30 20 CHED CN(C)c1ccc(CSc2ccc(C#N)cc2)cc1 814742863 JAVSPMLALLAJSQ-UHFFFAOYSA-N 268.385 3.917 30 20 CHED C(=NNc1ccccn1)c1csc2ccccc12 812396475 UHPMUKOLBGSMBN-UHFFFAOYSA-N 253.330 3.742 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)c(Cl)cc1OC 484979428 JYBPHIBIYSXZOG-ZETCQYMHSA-N 289.162 3.698 30 20 CHED C#CCC1(C(=O)N2CCC[C@H](CSC)C2)CCCCC1 817059858 HKZDZGPSYOFOOM-HNNXBMFYSA-N 293.476 3.562 30 20 CHED C=C(CNC(=O)c1nc2ccccc2s1)c1ccccc1 488884919 CZTHIHNVMKUJRO-UHFFFAOYSA-N 294.379 3.740 30 20 CHED C=C[C@@H]1OCC[C@H]1NCCCc1ccc(C(F)(F)F)cc1 650030010 ITNBUEIXOHNBQP-CABCVRRESA-N 299.336 3.571 30 20 CHED N#Cc1c(F)cccc1CSc1nncc2ccccc12 488274572 TWKAROXZFJIWDS-UHFFFAOYSA-N 295.342 3.933 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)c2ccc(CC)cc2)c1 728481447 GLGQUFZBKNXPAY-OAHLLOKOSA-N 291.394 3.997 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H]1CCOc2ccc(OC)cc21 820633562 YKRFEJHHBCYQMN-OAHLLOKOSA-N 290.359 3.664 30 20 CHED C[C@@H](C#N)OCCN(C1CCCC1)[C@@H](C)c1ccccc1 823110482 VYJQAFXLDBKVNJ-HOTGVXAUSA-N 286.419 3.921 30 20 CHED C/C(=C/c1ccccc1)CN(C)CCCSCC#N 494232860 DDBKMUIMZUMUNX-SQFISAMPSA-N 274.433 3.669 30 20 CHED CSCc1ccc(N=Cc2cccc(O)c2O)cc1 727265562 UIFBHWVYDNCSIR-UHFFFAOYSA-N 273.357 3.711 30 20 CHED C=CCC1(NC[C@H]2C[C@@H]2c2ccccc2)CCOCC1 668553033 ZDHBBLKWMHJJAN-IAGOWNOFSA-N 271.404 3.505 30 20 CHED CC#CCN(C)C(=O)Cc1coc2ccc3ccccc3c12 582084139 FKIJOCQRNGURNC-UHFFFAOYSA-N 291.350 3.610 30 20 CHED C=CCCCCCN(C)Cc1cc(F)ncc1F 823458641 BECSIZBDRWRHIE-UHFFFAOYSA-N 254.324 3.538 30 20 CHED C=CCCCCCN(C)C(=O)/C=C\c1cccs1 739653247 AHRLAJVBUUBGLQ-KHPPLWFESA-N 263.406 3.966 30 20 CHED CCCc1ccc(N[C@@H](C(=O)O)c2ccc(C#N)cc2)cc1 737044931 KTFBRMSSAXCUPT-QGZVFWFLSA-N 294.354 3.749 30 20 CHED C[C@H]1C[C@H](NN=C2CCC(C3CCC3)CC2)C[C@@H](C)O1 901299790 OTBWBFNCPIHXBT-XMPQPREKSA-N 278.440 3.878 30 20 CHED C[C@H](CCCC(F)(F)F)NC(=O)Nc1cccc(C#N)c1 493286201 ZXCAPTNHSQGEGI-SNVBAGLBSA-N 299.296 3.801 30 20 CHED C=C(C)COc1cccc(N[C@@H](C)C(=O)OC(C)(C)C)c1 738414271 FVNAHMNPCGJLKF-ZDUSSCGKSA-N 291.391 3.784 30 20 CHED C#CCN(C(=O)Nc1ccc2oc(C)c(C)c2c1)C1CC1 836529598 SFZANQZGRYQFGI-UHFFFAOYSA-N 282.343 3.679 30 20 CHED COCC(CC(C)C)=NNc1ccc([N+](=O)[O-])cc1Cl 730732494 JMHHNAQJMADMCA-UHFFFAOYSA-N 299.758 3.709 30 20 CHED C=CCCOCC(=O)O[C@@H]1CCC[C@H]1c1ccc(C)cc1 734085450 BKSIJWNHSVHXRJ-DLBZAZTESA-N 288.387 3.767 30 20 CHED C#CCOc1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1 730982363 BZLRWDYZJREUQV-SFHVURJKSA-N 293.366 3.831 30 20 CHED C=CCC1(NC2CCC(C(C)C)CC2)CCOCC1 668552046 CKKDWQTZZAVIQE-UHFFFAOYSA-N 265.441 3.916 30 20 CHED CC[C@H](c1ccccc1)N(CC)C(=O)c1cccc(C#N)n1 589350472 BAZNHCXEKIZBFZ-QGZVFWFLSA-N 293.370 3.567 30 20 CHED Cc1cc(C#N)cc(NCc2ncc(C(C)C)o2)c1 834680802 KIEBSHLHNBBUAA-UHFFFAOYSA-N 255.321 3.590 30 20 CHED C=C(C)CCc1noc([C@@H]2CC(c3ccccc3C)=NO2)n1 903694897 JEYCPHHSOVYGAM-HNNXBMFYSA-N 297.358 3.752 30 20 CHED C#CC[C@H](OC(=O)C[C@@]1(C)CC1(Cl)Cl)C(C)C 835200841 PWAZLMDNYBBCPV-JQWIXIFHSA-N 277.191 3.552 30 20 CHED CC(C)[C@@H]1C[C@@H](CNC(=O)[C@]2(C#N)C[C@@H]2C)c2ccccc21 581767561 POZPHYJMXVYTEE-IPQUUHLSSA-N 296.414 3.579 30 20 CHED Fc1ccc(NN=C(Cc2ccccc2)C2CC2)nc1 731321474 JVQKVIDKVNVQOP-UHFFFAOYSA-N 269.323 3.641 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839448412 ILOMTDWUFZJVBS-GXTWGEPZSA-N 284.359 3.507 30 20 CHED CC1(C)C[C@@H](NC(=O)CCCCCC#N)c2ccccc21 588161711 LWHUKMQBKHSCTR-MRXNPFEDSA-N 284.403 3.999 30 20 CHED N#CC1(COC(=O)c2cc3cccnc3s2)CCCC1 835283553 ZUVQNNUCAUNGGT-UHFFFAOYSA-N 286.356 3.537 30 20 CHED N#CCC[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 903128484 ZKTWNBGUWOZTRA-YYIAUSFCSA-N 254.377 3.810 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)OCCCC(C)(C)C#N 837846592 OEZFQCWJZDPPNA-STQMWFEESA-N 251.370 3.686 30 20 CHED COC[C@H](SCCCSCC#N)c1ccccc1 901660925 DZCSCKKZDSQSKN-AWEZNQCLSA-N 281.446 3.754 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC[C@@H](C#N)CCC#N 581999179 ZADFOXLBVUZLQK-HHXXYDBFSA-N 295.430 3.979 30 20 CHED CC(=NNc1cnnc2ccccc12)c1cccs1 733750178 OTDJZCDJRKNHIJ-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C=CC[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccncc1 734458462 ZRWGPXGYRGHTDQ-QGZVFWFLSA-N 291.354 3.610 30 20 CHED C=CC[C@H](NC(=O)N[C@H](C)CCC(C)C)c1ccncc1 734652605 OBNMPSGTCDJFRQ-ZBFHGGJFSA-N 289.423 3.823 30 20 CHED COc1ccc2ccccc2c1C=NN[C@H](C)C(F)(F)F 834996018 DUMMFSPYYAWRBC-SNVBAGLBSA-N 296.292 3.723 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(F)c2Cl)C1 839053365 LGTJLRXZDAZZPU-VHSXEESVSA-N 281.714 3.718 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3cc(C#N)cc(C)n3)C2)cc1 588035787 ZIWUXVHRMNJSSK-YJBOKZPZSA-N 291.398 3.953 30 20 CHED C=CCC1(C(=O)OC[C@H]2C[C@H]3CC[C@H]2O3)CCCCC1 838152407 MLCBNNUISUFLIY-RBSFLKMASA-N 278.392 3.624 30 20 CHED C=CCCCCOC(=O)c1nc(Cl)sc1C 837672394 XGRSPFDQRRRBRO-UHFFFAOYSA-N 259.758 3.618 30 20 CHED O=C(O)c1cc(/C=C\C(=O)c2cccc3ccccc23)c[nH]1 833298522 YGSXPYPJSOTRME-HJWRWDBZSA-N 291.306 3.762 30 20 CHED COc1cc2ccccc2cc1C=NO[C@@H]1CCCCO1 834966894 PWVNOIYJEIJBFT-QGZVFWFLSA-N 285.343 3.726 30 20 CHED COc1cccc(/C=N\[C@@H](C)Cc2ccccc2C)c1O 917556630 FZYWAZGPCLSUAT-YQNUULROSA-N 283.371 3.759 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 747105773 YXYBTEHLIKXEMN-RDBSUJKOSA-N 295.386 3.956 30 20 CHED C[C@@H](C(=O)N1CCC(CC#N)CC1)c1ccc(Cl)cc1 593594353 RAQHDRZFUBYXBE-GFCCVEGCSA-N 290.794 3.596 30 20 CHED CC[C@@H](O)CNc1ccc(Oc2ccc(C#N)cc2)cc1C 591773296 LBHBTLCFPFBCBB-OAHLLOKOSA-N 296.370 3.842 30 20 CHED CC1(C)CCCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)[C@@H]1C#N 597568186 NBFQJPZNCJUTPG-RBSFLKMASA-N 288.435 3.744 30 20 CHED CN(CCCOCc1ccccc1)[C@@H](C#N)c1ccccc1 595469308 FFSNJIMZAAUCKT-IBGZPJMESA-N 294.398 3.790 30 20 CHED CC[C@@H](C#N)C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 593480078 BDUKZJPJGQISBA-HOCLYGCPSA-N 284.403 3.926 30 20 CHED COc1cc(C)ccc1CN[C@@H]1CCc2cc(C#N)ccc21 590653719 DCWIJWLJWJBVPM-GOSISDBHSA-N 292.382 3.652 30 20 CHED CCCCCCC[S@@](=O)c1ccc2[nH]ncc2c1 840882348 UBMNBLBHFPSNII-GOSISDBHSA-N 264.394 3.641 30 20 CHED Cc1nn(C(C)C)cc1C(=O)O[C@H](C)c1ccc(C#N)cc1 846907026 SZVBSCYMOWCQAE-CYBMUJFWSA-N 297.358 3.562 30 20 CHED Cc1cc([C@H](C)N=c2[nH]c(C#N)c(Cl)s2)c(C)s1 596075214 JRLHSVJKQJVLIR-ZETCQYMHSA-N 297.836 3.942 30 20 CHED C[C@H](OC(=O)c1ccc(N(C)C)cc1)c1ccc(C#N)cc1 748679625 IOKFPMMCWYOARQ-ZDUSSCGKSA-N 294.354 3.542 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)Cc1ccc(F)cc1 744304338 MBYSTXDNCKIMCU-LBPRGKRZSA-N 250.313 3.514 30 20 CHED COc1ccnc(NN=C2CCC[C@@H]2c2ccc(C)cc2)n1 741847962 PPPQMPMYTLSNLZ-CQSZACIVSA-N 296.374 3.529 30 20 CHED C=CC[C@H](C)NC(=S)Nc1cc(OC)ccc1Cl 743001256 CUYPPTZVCUKUFD-VIFPVBQESA-N 284.812 3.600 30 20 CHED COC(=O)c1ccccc1CSCCC(C)(C)C#N 593436371 FUJDEZFKAFRQTA-UHFFFAOYSA-N 277.389 3.646 30 20 CHED CC(=NNc1nc2ccccc2s1)c1ccncc1 916246821 SWLBOWOFIFSXEY-UHFFFAOYSA-N 268.345 3.527 30 20 CHED CCN(C(=O)C1CCC(c2ccccc2)CC1)[C@H](C)C#N 598358360 HBPSMMPVQGVOTJ-ODIFPOPNSA-N 284.403 3.721 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)N[C@@H](CC)CCC 743199499 FCJJRLGNCMQWBU-ZDUSSCGKSA-N 292.354 3.538 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN([C@H]1CC[C@H](C#N)C1)CC3 590165998 LIFGWPPBSBLVAB-KBPBESRZSA-N 279.387 3.527 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 593489947 ZAKVJKLYKFEJDQ-NSHDSACASA-N 290.338 3.635 30 20 CHED CCc1ccc([C@H](C)CC(=O)N2CCC[C@H](CC#N)C2)cc1 597910061 VAWCXLNDPBVBHN-NVXWUHKLSA-N 298.430 3.895 30 20 CHED Cc1nc(N[C@H]2CCc3ccc(O)cc32)c(Cl)cc1C#N 596487547 HFGSUDSVRRFUBT-HNNXBMFYSA-N 299.761 3.720 30 20 CHED N#Cc1ccc(CCOc2ccc([C@@H]3CCOC3)cc2)cc1 596275772 BOSDXZVHEGEZAH-GOSISDBHSA-N 293.366 3.684 30 20 CHED CCOc1cncc(CN[C@H](CCC#N)c2ccccc2)c1 598641837 OTPCBXGTDWFNGW-GOSISDBHSA-N 295.386 3.615 30 20 CHED COc1ccccc1[C@H](C)Nc1ncc2c(c1C#N)CCC2 591817490 IZRLLUUULVKDMJ-LBPRGKRZSA-N 293.370 3.624 30 20 CHED Clc1cccnc1NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 917548685 DXXIPUOZIWLDBK-KKOKHZNYSA-N 275.783 3.959 30 20 CHED N#CCCCOc1cccc(CNC2(C3CCC3)CC2)c1 593677249 VWZPRCXTAMDNNO-UHFFFAOYSA-N 284.403 3.791 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](OC2CCC2)C1 594027704 YPFLTZFWUCXRQE-KBXCAEBGSA-N 284.403 3.653 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Oc1cccc(OCC#N)c1 842821045 DDSURCYHGWCFEE-SWLSCSKDSA-N 287.359 3.567 30 20 CHED Cc1cnc([C@H](NCCc2ccc(C#N)cc2)C2CC2)s1 595430390 JWJSTUUUDBNNSO-MRXNPFEDSA-N 297.427 3.607 30 20 CHED N#CC1(CC(=O)NC[C@H]2CCc3ccccc32)CCCCC1 597206557 REHJXBCRVCYLDN-MRXNPFEDSA-N 296.414 3.697 30 20 CHED COc1ccc(O)c(/C=N/CCc2cc(C)cc(C)c2)c1 740763272 FBDZJTDVEHXUHQ-XDHOZWIPSA-N 283.371 3.679 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N[C@H](C#N)CC(C)C 592613905 BZBYYEHROCBVSC-GJZGRUSLSA-N 264.413 3.813 30 20 CHED CC(=NNCC(F)F)c1cc(Cl)ccc1OC(F)F 748075897 MRHIROLJMKMVDQ-UHFFFAOYSA-N 298.667 3.520 30 20 CHED Cc1cc(C=NNCC(F)F)c(C)n1C1CCCCC1 740615830 DAQYZRZMJHYHIZ-UHFFFAOYSA-N 283.366 3.799 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc2c(c1)CCO2 920381918 BRULXWWMCMEUMT-ZDUSSCGKSA-N 280.371 3.696 30 20 CHED Cc1nc(-c2cccc(C(=O)O[C@@H](C)CC#N)c2)cs1 744135354 KHDHLGODEAUZBS-JTQLQIEISA-N 286.356 3.578 30 20 CHED CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 131352795 BPVILDUEZVXUKA-AWEZNQCLSA-N 260.356 3.565 30 20 CHED N#C[C@H](OC(=O)CCc1ccc(-c2ccccc2)o1)C1CC1 751176558 UXUILGZTMYONRC-KRWDZBQOSA-N 295.338 3.725 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)s1)c1ccc(F)c(F)c1 750395635 RIYQIQJAUQXNDU-QMMMGPOBSA-N 293.294 3.816 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1(c2cccc(F)c2)CC1 851209228 JNLDJFHPLSPJJR-LBPRGKRZSA-N 289.350 3.729 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cnn([C@@H](C)C2CC2)c1 926222152 SWSPVZUJAGZFAX-RYUDHWBXSA-N 260.385 3.594 30 20 CHED C=CCN(Cc1ccccc1F)Cn1ncc(Cl)c1C 753794418 JQTPIWCUESQWIZ-UHFFFAOYSA-N 293.773 3.630 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(C)cc2O)c1 759209741 IOWKALBEBFQZKU-UHFFFAOYSA-N 288.322 3.684 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(C(=O)c2ccccc2)CC1 929618522 BRXLLRVAGPNAHC-OAHLLOKOSA-N 299.414 3.710 30 20 CHED C[C@@H]1CN(C2CC2)CC1=NOc1ccccc1C(F)(F)F 754712791 TWMUFXBROLNICO-SNVBAGLBSA-N 298.308 3.554 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)c1ccccc1C(F)(F)F 753423707 GELWMCUKJSNMEW-VHSXEESVSA-N 285.265 3.654 30 20 CHED CC(C)c1cccc([C@H](C)NCc2ccc(C#N)cn2)c1 858407087 CPDBFNAEGDMBBX-AWEZNQCLSA-N 279.387 3.927 30 20 CHED C(=NO[C@@H]1CCCCO1)c1cccc2ccccc12 755820560 WROMXKSQUIYOAX-MRXNPFEDSA-N 255.317 3.717 30 20 CHED N#CCSc1ccccc1C(=O)O[C@@H]1C[C@H]2CC[C@H]1C2 859601817 XZZAVEWUIOHYTP-SGMGOOAPSA-N 287.384 3.648 30 20 CHED CO[C@H](C=NNc1ccccc1C(F)(F)F)C1CC1 853258504 RTGZFSJKXCQOLA-GFCCVEGCSA-N 272.270 3.528 30 20 CHED N#Cc1cc(Br)cc(C2C(F)(F)C2(F)F)c1 1898225873 WQCPLEPUTZFTLE-UHFFFAOYSA-N 294.045 3.689 30 20 CHED C[C@H](N[C@H](C)c1ccc(F)cc1O)c1cccc(C#N)c1 756628034 UQKGWIAKZKNEAQ-NWDGAFQWSA-N 284.334 3.815 30 20 CHED CC(=NOCC1CCC1)c1[nH]c(-c2ccccc2)nc1C 853439942 QKMPTLZDRZGFNY-UHFFFAOYSA-N 283.375 3.926 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1O 755599015 NQROSZASNOHOJX-FNORWQNLSA-N 283.714 3.813 30 20 CHED C=C[C@H](CC(=O)OCC(=O)C1CCCC1)c1ccccc1 758919214 FAUAAHANEWXWAK-CQSZACIVSA-N 286.371 3.649 30 20 CHED CCCCCCCC(=O)NCc1ccccc1N(C)C 754624694 IZHNUXCYFDWNMP-UHFFFAOYSA-N 276.424 3.729 30 20 CHED C[C@@H]1CCC[C@@H](CCON=C2CCC3(CC2)OCCO3)C1 756864607 UWCYBEVVFSAHCO-CABCVRRESA-N 295.423 3.893 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2ccc3c(c2)CCO3)c1 757469056 YXMHZEJVMZYZIR-UTCJRWHESA-N 280.323 3.532 30 20 CHED N#Cc1ccc(OC[C@H]2CC2(Cl)Cl)c(Cl)c1 750488730 RZCVITYYBHNMDZ-MRVPVSSYSA-N 276.550 3.784 30 20 CHED C(=NNc1cnc2ccccc2n1)[C@@H]1C[C@@H]1c1ccccc1 755690014 XVMLOQNXMLOFJS-LSDHHAIUSA-N 288.354 3.831 30 20 CHED CCCCCCCNC(=O)Nc1c(C)noc1CC 860833566 RUNVNSKTEYHQFH-UHFFFAOYSA-N 267.373 3.637 30 20 CHED CC(C)(C#N)CCCCOC(=O)C12CCC(CC1)C2 768857658 GENODDCEDDDMOZ-UHFFFAOYSA-N 263.381 3.830 30 20 CHED CC#CCCOC(=O)C[C@@H](c1ccccc1)C(F)(F)F 760292849 XXRVMZGECALVCK-ZDUSSCGKSA-N 284.277 3.679 30 20 CHED C=CCOc1ccc(OCc2ccnc(Cl)c2)cc1 760441621 AFIVMIFXKWCHKB-UHFFFAOYSA-N 275.735 3.879 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](CC(F)(F)F)C(C)C 935557078 QFYHEEONGWTOJP-MNOVXSKESA-N 265.319 3.682 30 20 CHED C#C[C@@H](CC)OC(=O)c1sc(-c2cccs2)nc1C 768040937 MKXJKVWWQNALDN-JTQLQIEISA-N 291.397 3.749 30 20 CHED CC(C)(C)c1ccc(C#N)c(Nc2cnn(C(F)F)c2)n1 767208373 YAASSZRULJLAAH-UHFFFAOYSA-N 291.305 3.586 30 20 CHED N#CC1(COC(=O)[C@@H]2CCc3c(Cl)cccc32)CCC1 768103222 IXHRVNKAFKHWGR-CYBMUJFWSA-N 289.762 3.607 30 20 CHED C#CCCc1noc(-c2ccc3sccc3c2)n1 762011072 WGBCZVVJOQJQID-UHFFFAOYSA-N 254.314 3.517 30 20 CHED C#CCCc1noc(/C=C/c2ccccc2O[C@@H](C)CC)n1 762010224 IQEKQXJVVSQPJA-FNDVETGQSA-N 296.370 3.983 30 20 CHED Fc1cc(Cl)c(NN=CC[C@@H]2CCOC2)c(Cl)c1 767909632 LSBGELORANVQGO-MRVPVSSYSA-N 291.153 3.957 30 20 CHED C#CCC1(C(=O)Nc2cc(C)cc(O)c2)CCCCC1 863620177 UZGPWWWCUXRFTM-UHFFFAOYSA-N 271.360 3.613 30 20 CHED CC(=NNc1ccc(Br)c(F)c1)c1ccc[nH]1 769827524 BWYPMVUXUADMST-UHFFFAOYSA-N 296.143 3.752 30 20 CHED CC(CCC1CC1)=NNc1cccc([N+](=O)[O-])c1C 768777638 ONGHLHNACULBCB-UHFFFAOYSA-N 261.325 3.881 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 767668228 XHRUGLPBEFNGCS-LBPRGKRZSA-N 277.364 3.770 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc(Cl)n2)CCCC1(C)C 767229988 VKRHLXQGJXEUPP-ZDUSSCGKSA-N 292.810 3.942 30 20 CHED C=CCN(C(=O)C1(Sc2ccccc2)CC1)C(C)C 1116363282 FBXWXOYQOGVOEH-UHFFFAOYSA-N 275.417 3.734 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC[C@H]2c2ccccc2)cc1 769767160 ZOOKXTBOQFRUBS-HNNXBMFYSA-N 281.315 3.940 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(OC)cc1OC 766772743 YOFUZIZBKKGJBG-SOFGYWHQSA-N 297.354 3.557 30 20 CHED CC(=NNCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 769815833 PUOZPCURXUZBFG-CQSZACIVSA-N 277.371 3.827 30 20 CHED C[C@H](CC#N)OC(=O)/C=C/c1ccccc1C(F)(F)F 870205278 PGVSNBZTSPONIM-VQCYPWCPSA-N 283.249 3.564 30 20 CHED CN(Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)s1 1116444864 BUDGUPNCWXPCSB-UHFFFAOYSA-N 281.384 3.733 30 20 CHED CC(C)Oc1ccc(Cl)cc1C(=O)OCC1(C#N)CC1 775853081 JAZNANUAORXFNT-UHFFFAOYSA-N 293.750 3.588 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C)C2CCC2)cc1 773103116 IXAOPLHEWCHTBQ-KGLIPLIRSA-N 257.377 3.538 30 20 CHED CCc1cccnc1C(C)=NNc1cccc(C)c1 779751554 GEHVCJAMXUYTQQ-UHFFFAOYSA-N 253.349 3.789 30 20 CHED Cc1cc2occ(C(=O)OCCCCC#N)c2cc1C 770488801 GAAAEWOUIFZMLI-UHFFFAOYSA-N 271.316 3.900 30 20 CHED C=CCCc1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1117285550 ZZWDFWNYGDUACQ-SNVBAGLBSA-N 278.739 3.982 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H](C)c1ccccc1C 775241753 XGIMIQASBYTIOV-AWEZNQCLSA-N 297.354 3.873 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1CCc2c(Cl)cccc21 776398742 BVHMOZTXZHEMAN-ZDUSSCGKSA-N 291.778 3.853 30 20 CHED C=C(CC)COC(=O)CCc1c(C)nn(CC(C)C)c1C 773457356 ZEMQFKDVCCEYOO-UHFFFAOYSA-N 292.423 3.598 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccccc2)s1 1116391602 GFHKPKYODCPDIN-INIZCTEOSA-N 284.384 3.837 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ccccc1F 69284241 ZOXWBMIJKSLZDE-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Fc1ccc(/C=C\C=NN[C@H]2C[C@H]3CC[C@H]2C3)cc1 774598230 WYZWKAMHLMDHCS-PJOADYFUSA-N 258.340 3.603 30 20 CHED COc1ccc(NCC#Cc2ccc(F)cc2)cc1Cl 771190474 UFFPQBFSBIAAQS-UHFFFAOYSA-N 289.737 3.951 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C(=O)C(F)(F)F)cc1 870752246 SHSYSMGENSANCN-UHFFFAOYSA-N 285.265 3.582 30 20 CHED CC1(C)CCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 773945373 WPRAXNDKWGQWEO-NWDGAFQWSA-N 281.359 3.565 30 20 CHED C=C(Cl)CN[C@@H](Cc1ccc(F)cc1)C(C)C 773006274 WPUQSVNUNNZCMO-AWEZNQCLSA-N 255.764 3.735 30 20 CHED Cc1cccc2c(N3CCC[C@@H](CF)C3)c(C#N)cnc12 882801325 MZWIDHWZXYEYLF-ZDUSSCGKSA-N 283.350 3.601 30 20 CHED Cc1ccc(C=NOCc2ccc(C#N)cc2C)cc1 776743814 VDFYNNAEISPGLO-UHFFFAOYSA-N 264.328 3.726 30 20 CHED CSc1cccc(COC(=O)c2cc(C#N)ccc2C)c1 1128631148 SVVQHNZEGLTXIM-UHFFFAOYSA-N 297.379 3.946 30 20 CHED CC(C)(C#N)CNC(=O)Nc1ccc2ccccc2c1 781801369 TVJGKQZOTFQLQY-UHFFFAOYSA-N 267.332 3.511 30 20 CHED C[C@@H](CC1CCCC1)C(=O)[C@H](C#N)c1cccc(F)n1 1122632166 QTZVQEIFRHGZOM-WCQYABFASA-N 274.339 3.613 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1c(F)cccc1F 880127549 CRXILKBADNVWBG-UHFFFAOYSA-N 267.319 3.526 30 20 CHED Cc1ccc(CC(=O)N(C)c2ccccc2C#N)cc1Cl 1127209962 GFMSQWSOFIESFS-UHFFFAOYSA-N 298.773 3.726 30 20 CHED C[C@H]1CCC[C@H](C(=O)OCCCC(C)(C)C#N)C1 783854721 JKDKFHAMOHVXBU-STQMWFEESA-N 251.370 3.686 30 20 CHED N#Cc1ccc(CCC(=O)OC2(c3ccccc3)CC2)cc1 781754698 GZOJMGYWKKZCOO-UHFFFAOYSA-N 291.350 3.723 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc2c(c1)OC(=O)C[C@H]2C 785365264 KXRMTKCWOKPHRE-DIFFPNOSSA-N 288.343 3.607 30 20 CHED CC(=NOC[C@H]1CCOC1)c1ccc(-c2ccccc2)o1 788034902 WESWSUQAJWHVMR-AWEZNQCLSA-N 285.343 3.724 30 20 CHED CC(CCCC(F)(F)F)=NNc1ncncc1Cl 780283490 YVXIUUAQLNPOHH-UHFFFAOYSA-N 280.681 3.650 30 20 CHED N#CCCN(CCC#N)Cc1ccc(Cl)c(Cl)c1 72947231 ATBUTIBLUYAYBG-UHFFFAOYSA-N 282.174 3.623 30 20 CHED C#CCCCCCC(=O)N(Cc1ccc(O)cc1)CC1CC1 780984730 NEMNBIVQNBWMAL-UHFFFAOYSA-N 299.414 3.715 30 20 CHED C=CCC[C@H](CCC)NCCOC1CCSCC1 898439708 LBHIOTMQZNOBJR-AWEZNQCLSA-N 271.470 3.623 30 20 CHED C=C1CCC(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 892415309 AGBYQIPLYXHERO-LBPRGKRZSA-N 290.234 3.823 30 20 CHED N#Cc1csc(/C=C2\CCOc3cc(F)ccc3C2=O)c1 781554929 XVAIKKXZVWZPNS-IZZDOVSWSA-N 299.326 3.808 30 20 CHED c1ccc2c(NN=C3CCC34CCCC4)cnnc2c1 788715690 NYBUZSCJXSJVPZ-UHFFFAOYSA-N 266.348 3.752 30 20 CHED Cc1oc(C)c(C(=O)OCC2(C#N)CCCCC2)c1C 780483521 MLZCQHFDFYPJJL-UHFFFAOYSA-N 275.348 3.836 30 20 CHED C[C@H](NC(=O)CCCc1ccsc1)c1cccc(C#N)c1 783055593 BFPPEHIJFDUEDM-ZDUSSCGKSA-N 298.411 3.820 30 20 CHED Cn1cc(CC(=O)OCCCC(C)(C)C#N)c2ccccc21 783193568 KIYHZZBMEFSWKP-UHFFFAOYSA-N 298.386 3.594 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccccc3C)cn2c1 789130732 QMACRQJKJMIDFI-CMDGGOBGSA-N 276.339 3.847 30 20 CHED Cc1ccc(C)c(NN=C2COCc3ccccc32)c1 782167322 RWQVRXUYBZELFJ-UHFFFAOYSA-N 266.344 3.650 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC1CCCCCCC1 782338283 JRKUHRDJDPISSB-KRWDZBQOSA-N 281.440 3.692 30 20 CHED C=CCCCCCOC(=O)c1cccc(C2OCCO2)c1 784379881 LWFCYEJRFRCIJV-UHFFFAOYSA-N 290.359 3.635 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)C1 896503266 MDAJAPVCYXTZGP-JTQLQIEISA-N 286.272 3.580 30 20 CHED C=CCNC(=S)Nc1ccc(-c2ccco2)cc1F 782438708 HEARLVKXSDBPLL-UHFFFAOYSA-N 276.336 3.558 30 20 CHED CC(C)(C#N)CNc1ccc(-c2ccccc2Cl)nn1 893120101 FUIGCSCUOBLLHD-UHFFFAOYSA-N 286.766 3.759 30 20 CHED Cc1cccnc1NN=Cc1ccc(Cl)s1 790191535 WBHIJVIEEFXGEX-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C#Cc1cccc(NC(=O)Nc2cnn([C@@H](C)CC)c2C)c1 792224411 QTSPTPIJJAMJQT-LBPRGKRZSA-N 296.374 3.788 30 20 CHED N#Cc1cccc(CNCCc2cccc(Cl)c2)c1 57599218 PYEJVJQRNODARS-UHFFFAOYSA-N 270.763 3.544 30 20 CHED CC(C)[C@H]1CCCC(=NN[C@@H](CO)c2ccccc2)C1 794538675 UUZUNSRYHJKWBS-RDJZCZTQSA-N 274.408 3.512 30 20 CHED CCCCCC[C@H](C)NN=C(C)c1cnoc1C 799480989 DVQZDUAAAKWTHW-NSHDSACASA-N 251.374 3.656 30 20 CHED CON=CC(Cc1ccccc1)Cc1ccccc1 799108484 CICSNVAPLZMUDQ-UHFFFAOYSA-N 253.345 3.720 30 20 CHED CC(=NNc1ncccc1F)c1cccc(OC(F)F)c1 794993113 IWPTYSBESJOZBW-UHFFFAOYSA-N 295.264 3.658 30 20 CHED Cc1cc(C=NNc2cccc(Cl)n2)cc(Cl)n1 793173739 DDRRLVZTALNQDA-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CCC1CCC1 799443381 YHFGBFSYSXMWPH-UHFFFAOYSA-N 257.333 3.606 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(C)C 799047235 SXESXCGNOJPIEQ-BXUZGUMPSA-N 297.320 3.583 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1ccc(C(F)(F)F)cc1 797940164 BAVFPGQOEZVIAZ-UHFFFAOYSA-N 295.216 3.698 30 20 CHED Fc1cccc(NN=C/C=C/c2ccc(F)c(F)c2)n1 795008479 IDPZFRVJNMMKQB-FLGXVMQYSA-N 277.249 3.610 30 20 CHED CCc1ccccc1NN=C1CC[C@H](CC(=O)OC)[C@H]1C 794494386 TUQWGWCWTUSYND-TZMCWYRMSA-N 288.391 3.626 30 20 CHED N#CC1(C(=O)NCc2cc(Cl)cc(Cl)c2)CCCC1 597854775 LCOWRKDXHIHWMH-UHFFFAOYSA-N 297.185 3.694 30 20 CHED CCCCCCCCC(=O)N1CCCO[C@H](CC)C1 798749900 PEOMQYGDAKYYLO-OAHLLOKOSA-N 269.429 3.765 30 20 CHED COc1ccccc1CON=C(C)c1c(F)cccc1F 799120061 SMIZRJQRGLPKLN-UHFFFAOYSA-N 291.297 3.914 30 20 CHED C[C@H]1CCC(=NNc2ncccc2F)c2ccccc21 794984934 PLPXOOCSELDPTC-NSHDSACASA-N 269.323 3.934 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)cn2)c(Cl)c1 566847495 IFMDRFNIGUXBSG-UHFFFAOYSA-N 279.126 3.839 30 20 CHED Oc1ccccc1/C=N\C[C@@H]1CCCN1C1CCCCC1 797785175 VRENSBHSYZOYBR-NFBGKYEXSA-N 286.419 3.608 30 20 CHED CCC[C@H](C)N(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790295425 GGLXNWVBVPAGDN-LBPRGKRZSA-N 297.320 3.704 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc(Cl)cc1Cl 794689380 BEGDIGQSFRNDMB-AATRIKPKSA-N 295.169 3.931 30 20 CHED N#CCN(C(=O)[C@@H](F)CC1CCCCC1)c1ccccc1 796609548 SPDXHHUFIKBNQM-INIZCTEOSA-N 288.366 3.852 30 20 CHED C/C=C(/C=C\C(=O)Nc1cc(C#N)ccc1NCC)CC 797163621 YODJZOMUXHSERJ-OPAZMITKSA-N 283.375 3.841 30 20 CHED Cn1ncc2c1CC/C(=C\c1ccc(C(F)F)cc1)C2=O 794938492 PWOXUAZDRCBBDG-XYOKQWHBSA-N 288.297 3.570 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SC/C(C)=C\Cl 797808516 KLCZOECWLPNXNZ-SEVUFMINSA-N 275.845 3.675 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)c1ccc(C#N)o1 794335145 DJGCTWQRISJBMW-LBPRGKRZSA-N 274.364 3.630 30 20 CHED C[C@@H](Cc1cccs1)N[C@@H](C)CC(C)(C)C#N 695861113 YJFQDZITPWXJFM-RYUDHWBXSA-N 250.411 3.597 30 20 CHED N#CCC1(CSc2ncccc2Br)CC1 88259766 BVSWPNROCNCKRW-UHFFFAOYSA-N 283.194 3.630 30 20 CHED C#C[C@@H](C)N(C)Cc1nc2ccccc2c(C)c1Cl 769962307 WTCHPUBQICTFDB-LLVKDONJSA-N 272.779 3.650 30 20 CHED CC1(C)CCC[C@@H](NC(=O)[C@@H](C#N)CCc2ccccc2)C1 1154470931 MPWJFBVDVWOFRE-IAGOWNOFSA-N 298.430 3.844 30 20 CHED CCC[C@@H](CCc1ccccc1)N=c1cc[nH]cc1C#N 1162604980 DWXZXNNBVQVTHO-KRWDZBQOSA-N 279.387 3.589 30 20 CHED CCO[C@H]1C[C@H](Nc2c(C#N)cccc2C#N)C1(CC)CC 1162644147 GAFLINQBBCODCW-HOTGVXAUSA-N 297.402 3.826 30 20 CHED C[C@H]1CCCCC1=NNc1ccc(C(C)(C)C)nn1 1318580079 JUXJIFFMUCZNRG-NSHDSACASA-N 260.385 3.752 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)NCCCCC#N 1319573295 RNGRCCXLXSWIQF-UHFFFAOYSA-N 279.771 3.772 30 20 CHED Cc1cc(C=NNc2ccc(C(C)(C)C)nn2)ccc1F 1318681634 OKRCRMHRACRMTP-UHFFFAOYSA-N 286.354 3.668 30 20 CHED C(=NOC1CCCC1)c1ccc(N2CCCC2)cc1 1319909443 FEWCVAWHCIQXSN-UHFFFAOYSA-N 258.365 3.580 30 20 CHED Cc1nc(Sc2c(C#N)cccc2C#N)sc1C 1324668273 YRFCFDZMABHHLZ-UHFFFAOYSA-N 271.370 3.655 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(c2cccc(CC#N)n2)C1 1258172085 FEVDXFDOWCQDEP-RHSMWYFYSA-N 277.371 3.735 30 20 CHED CCCCCC[C@H](C)CC(=O)N(CC)[C@H](C)C#N 1331284343 ZBZJANOZENDZOC-UONOGXRCSA-N 252.402 3.744 30 20 CHED CCOc1ccc(/C=C/c2cc(C#N)ccn2)cc1OCC 1256485760 GEOBVXRCXSVMLB-FNORWQNLSA-N 294.354 3.921 30 20 CHED Cc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1C 1184580473 OIDZKOCCOGEQGU-UHFFFAOYSA-N 257.724 3.967 30 20 CHED C=CCCCCCCCNC(=O)Cc1cccnc1C 1330089791 BNUUDUCGEAHELA-UHFFFAOYSA-N 274.408 3.575 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1CCO[C@H](CC)C1 1336215105 BCPQSVBPGDRPLM-ARFHVFGLSA-N 279.424 3.539 30 20 CHED C=C[C@H](CC)CC(=O)Oc1cccc(C(C)=O)c1F 1349566461 AXAWBZDETJZVPZ-LLVKDONJSA-N 264.296 3.536 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc(C#N)c1C 1435035442 MTPDUIIWKBYAEW-WMLDXEAASA-N 284.403 3.955 30 20 CHED C[C@H]1CCN(c2nc(Cl)c(C#N)s2)CC1(C)C 804613344 FUNPXBITPCLJJW-QMMMGPOBSA-N 269.801 3.541 30 20 CHED CC(C)c1cccc(C(=O)Nc2cc(CC#N)ccn2)c1 1516232403 QVJVELWMJGOILM-UHFFFAOYSA-N 279.343 3.523 30 20 CHED C=C[C@@H](CC)CC(=O)OCCC[C@H]1CCCCC1=O 1525784747 ZUSSECFAFFXWOH-UONOGXRCSA-N 266.381 3.671 30 20 CHED C[C@H]1CCC[C@@H](C)CN1CCc1ccc(C#N)cc1 1459503843 AYMWTCPHQDYPDV-CABCVRRESA-N 256.393 3.611 30 20 CHED C=Cc1ccc(C(=O)Nc2cc(C)cc(C#N)c2)cc1 1525310804 PGIGYHMANIJGAA-UHFFFAOYSA-N 262.312 3.762 30 20 CHED Cc1cc(C)cc(CC(=O)OCc2ccc(CC#N)cc2)c1 1458306449 NJMKSYRVSLGRKR-UHFFFAOYSA-N 293.366 3.655 30 20 CHED C#Cc1cccc(NC(=O)NCc2cc(Cl)ccc2C)c1 1520135829 QFSJCEJPJVRZOS-UHFFFAOYSA-N 298.773 3.951 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)Cc1ccc(C(C)(C)C)cc1 1538757561 QINMTCFQXOBVKT-INIZCTEOSA-N 286.419 3.677 30 20 CHED CC(C)c1coc(NC(=O)c2ccc(C#N)c(Cl)c2)n1 1534944014 GDGDRYZBUXIFAP-UHFFFAOYSA-N 289.722 3.575 30 20 CHED N#Cc1ccc(Sc2cnc(F)cn2)cc1C(F)(F)F 1472740741 UCVJNGZXQMXMGZ-UHFFFAOYSA-N 299.252 3.657 30 20 CHED CC(=O)c1ccc(OCc2cccc(C#N)c2)cc1Cl 1614990307 ZSGVTNGAOOIGTO-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CCN(CC)[C@H](CNc1cccc(F)c1C#N)CC(C)C 1611770000 FTRGJSFSJDKUDQ-AWEZNQCLSA-N 291.414 3.866 30 20 CHED CC(C)CCOc1nc2c(cc1C#N)CCCCC2 1559456229 RLQAVOQCFIHGQA-UHFFFAOYSA-N 258.365 3.647 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1C 5129004 YUHRXNBMMSELHZ-QPJJXVBHSA-N 294.350 3.971 30 20 CHED CC[C@@H]1CCCC[C@H]1CNc1ccc(C#N)c(C)n1 1639972768 CFXZHOCZQMGHRJ-HIFRSBDPSA-N 257.381 3.890 30 20 CHED C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1cc2ccccc2o1 1641297084 YSVXYNPJOOEXAZ-ZIAGYGMSSA-N 296.370 3.689 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NCc2cccc(C#N)c2)C1 1646205508 XHKYZNDRHSNAGJ-GRDNDAEWSA-N 256.393 3.863 30 20 CHED N#Cc1ccc(F)cc1CN1CCC[C@@H]1C1CCCC1 229958020 NBNHWAKDZXDAPD-QGZVFWFLSA-N 272.367 3.852 30 20 CHED Cc1cc(N2CCC[C@@H]2c2ccc(F)cc2F)ncc1C#N 1651942814 SCEZKOJVNZLNOI-MRXNPFEDSA-N 299.324 3.881 30 20 CHED Cc1ccc(CN(C)c2snc(Cl)c2C#N)cc1C 1651943020 YVICAZBJWCTFNG-UHFFFAOYSA-N 291.807 3.921 30 20 CHED C=C(Br)CNCc1cc(Cl)cc(Cl)c1 122707504 QTPAZDDMDKZBQR-UHFFFAOYSA-N 295.007 3.992 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2nccc(C)c2C#N)cc1 1651567859 QYUZWMHIZICSNR-UHFFFAOYSA-N 293.414 3.984 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(F)c(Cl)c(C(=O)O)c1 1588605981 SDERBUQGDGJCSA-UHFFFAOYSA-N 299.729 3.718 30 20 CHED CC1(C)C(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1(C)C 1585269478 KZUGYOCBRLMHKV-OAHLLOKOSA-N 296.414 3.734 30 20 CHED Cc1cc(CN2CCOc3c(Cl)cccc32)ccc1C#N 1664350633 ZDPUBNWIIHSTKC-UHFFFAOYSA-N 298.773 3.919 30 20 CHED C[C@@H](CC(F)(F)F)Nc1c(F)cc(C#N)cc1F 231749460 MJMZPPMNHVMJBC-LURJTMIESA-N 264.197 3.589 30 20 CHED CC(C)(C#N)CCCCN1CCOc2ccccc2C1 232531450 VSAVOLVVNCVPQU-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C[C@H]1C[C@@H](C(=O)O)CCC1=NO[C@H](C)c1ccccc1 1776083256 UNPLZUKJMJVSIX-SCRDCRAPSA-N 275.348 3.641 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCO2 14202555 SILNETICXIIJOP-SOFGYWHQSA-N 264.324 3.826 30 20 CHED Cc1ccc(C#N)c(N2CC[C@@H](c3ccccc3)[C@@H]2C)n1 161767611 PUVWDYIDFLWIGQ-WMLDXEAASA-N 277.371 3.644 30 20 CHED Cc1cc(CNc2ncccc2OCCCC#N)c(C)o1 162254560 POLMSWOAXFATCK-UHFFFAOYSA-N 285.347 3.586 30 20 CHED C=CCCC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 162706819 QBEOJODWYHPQOZ-WMZOPIPTSA-N 269.388 3.881 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1C[C@H]1c1sccc1C 163820095 AJCAXASFAAXGEM-KGLIPLIRSA-N 296.395 3.979 30 20 CHED O=C1/C(=C/c2cccnc2)Cc2ccc(Cl)cc21 5331406 YYXWQHVFDWLTTH-WUXMJOGZSA-N 255.704 3.557 30 20 CHED C=CCn1c(SCCC#CC)nnc1-c1ccccc1 155018055 JANJUGYLZRAPTF-UHFFFAOYSA-N 283.400 3.637 30 20 CHED N#Cc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)nn1 156651568 REIMULRULCYVEN-UHFFFAOYSA-N 299.639 3.813 30 20 CHED N#Cc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 252454820 KFDPMVZEOVUXBM-FMPTWSOUSA-N 252.361 3.795 30 20 CHED C[C@@H](c1ccccc1F)N(C)Cc1cccc(C#N)c1 52073645 RYIOFWKACYTEDD-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1 58733091 YRUYVPKBSULNSF-UHFFFAOYSA-N 274.663 3.912 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1cccc(Br)c1C#N 309824703 HHNWJMYDHLNJFT-KWQFWETISA-N 297.221 3.627 30 20 CHED CCCC[C@H](C)N(C)c1nc(C(F)(F)F)ccc1C#N 312647320 IXGOJEHTSAJXCA-JTQLQIEISA-N 285.313 3.987 30 20 CHED C=CCCCCN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 471584529 HKJIZGRHUDLTHJ-HSALFYBXSA-N 298.474 3.843 30 20 CHED C=CCOCCN[C@H](C)c1ccccc1C(F)(F)F 388588878 YJJGENRFPRWJGK-LLVKDONJSA-N 273.298 3.559 30 20 CHED C#C[C@H](CC)NC[C@H](C)c1cccc(Br)c1 381555723 OSZPZZHQOZLSIK-SMDDNHRTSA-N 280.209 3.554 30 20 CHED N#Cc1ccc(OC[C@H]2CCCCC2(F)F)cc1 382106915 KMURLAFXKJEWBX-GFCCVEGCSA-N 251.276 3.763 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 397683649 JJZLCVGHOJXDQZ-LLVKDONJSA-N 266.747 3.605 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1C(C)=O 854725372 LILMQKZANJSDJX-OAHLLOKOSA-N 267.413 3.707 30 20 CHED CN(C/C=C/c1ccccc1)Cc1cccc(C#N)c1 58000201 IECGRUIPJRJDDI-IZZDOVSWSA-N 262.356 3.703 30 20 CHED CCCCCCCCN1CCC[C@H](CC(=O)O)C1 111897726 RXWIOYJJBMIXMW-CQSZACIVSA-N 255.402 3.534 30 20 CHED Cc1nsc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1C#N 342288793 DVMHKMTUJCYNQW-SDDRHHMPSA-N 261.394 3.704 30 20 CHED CCn1c(C)cc(C(=O)Nc2cc(C#N)ccc2C)c1C 58287737 TVAGRBSQVJXIPS-UHFFFAOYSA-N 281.359 3.557 30 20 CHED Cc1ncc(CNc2cccc(C#N)c2)n1-c1ccccc1 174287208 HJJKQSLLZKWZQD-UHFFFAOYSA-N 288.354 3.665 30 20 CHED CC[C@@H](CC(=O)N(C)Cc1ccc(C#N)cc1)C(C)C 104242153 ULZUBSFCZVXEHT-INIZCTEOSA-N 272.392 3.589 30 20 CHED N#CCc1cccc(-c2nc(-c3ccsc3)no2)c1 171783920 MVDXBEDBJAOSFM-UHFFFAOYSA-N 267.313 3.531 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)c1sccc1C#N)CCC2 179598108 QVNXKLBFKLHECT-OAHLLOKOSA-N 296.395 3.736 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)CC1=CCCCC1 110843619 RBBFZGFRZJJBBS-IBGZPJMESA-N 296.414 3.908 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC(C)C)c1ccccc1OC 119293473 DUAJFYGOYBGURK-HNNXBMFYSA-N 290.407 3.610 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(SC)cc1 69353331 CYNYAEQUTVQVHD-STQMWFEESA-N 293.432 3.567 30 20 CHED CCCCC1CCC(NC(=O)N(C)C[C@@H](C)C#N)CC1 67647355 ULYOGJUDFMLESR-NFOMZHRRSA-N 279.428 3.536 30 20 CHED C=CCS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 114757015 JVLXFDHNXYFSAL-SECBINFHSA-N 289.322 3.952 30 20 CHED N#Cc1ccc(N[C@@H](c2ccccc2)c2ccccn2)cn1 301505337 COFFYFCUVVVLRE-SFHVURJKSA-N 286.338 3.550 30 20 CHED Cc1ccc(SC[C@@H](C)Nc2ccc(C#N)cn2)cc1 302258045 OXCZBXZPZWFWHD-CYBMUJFWSA-N 283.400 3.854 30 20 CHED CCCCCCCCCN(C)C(=O)c1cn(C)nc1C 113035100 UQTMVIOEOMDOTN-UHFFFAOYSA-N 279.428 3.551 30 20 CHED Cc1cnc(C/N=C(\N)Nc2cccc(C(C)C)c2)s1 304800391 ONDXNCLFQXVJBR-UHFFFAOYSA-N 288.420 3.502 30 20 CHED C[C@H]1CN(c2cccc(C#N)n2)CC[C@@H]1c1ccccc1 301471969 UELLWOIJCWEOBX-YOEHRIQHSA-N 277.371 3.583 30 20 CHED C=CCN(CC1CCCCC1)c1ncccc1C#N 301797908 UQGZGSONIKGURZ-UHFFFAOYSA-N 255.365 3.526 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CCCC1(C)C 348527570 TYQYJHZIHHQVDD-CYBMUJFWSA-N 264.413 3.744 30 20 CHED C=CCC[C@H](NC(=O)NCc1ccoc1)c1ccccc1 178911556 MELDIHIQAYWFPN-INIZCTEOSA-N 284.359 3.786 30 20 CHED C=CCCCC(=O)Nc1nc(-c2ccco2)cs1 175327681 IYFLRYJLOLBYMH-UHFFFAOYSA-N 262.334 3.698 30 20 CHED C=CC[C@H](C)NC(=O)N(CCC)CCc1cccc(F)c1 116972409 ZQUZZOSUQNAYHW-AWEZNQCLSA-N 292.398 3.754 30 20 CHED C=CCCCOC(=O)c1cccc(NC(=O)c2ccco2)c1 117994635 SKTNLMDFVXGZCP-UHFFFAOYSA-N 299.326 3.655 30 20 CHED N#CC1(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CCCC1 110576351 WYSZJDGTRMHDDN-CVEARBPZSA-N 282.387 3.523 30 20 CHED CCOc1ccc(C#N)cc1NCCCC(C)(C)C#N 177596014 IVYXZNLPJODGJM-UHFFFAOYSA-N 271.364 3.699 30 20 CHED O=C(/C=C/c1nccn1CC(F)(F)F)C1CCCCC1 171539788 DTSXEEVTRSCDGT-VOTSOKGWSA-N 286.297 3.608 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc3ccccc3c2)C1 179902472 ZQVYGCQQFWOICN-BLLLJJGKSA-N 265.312 3.689 30 20 CHED CCC[C@]1(C)CCCN(C(=O)C2(C#N)CCCCC2)C1 173668987 GJJGRZQPCGFVTR-MRXNPFEDSA-N 276.424 3.889 30 20 CHED N#Cc1cccc(Cl)c1NCc1ccccc1F 301201569 NECMBZXBNGVMHM-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1ccc2nc(CSc3cccc(C#N)c3)cn2c1 177107016 CLXVRSUCPHVTTO-UHFFFAOYSA-N 279.368 3.807 30 20 CHED N#Cc1cnc2ccccc2c1N1CCC(C(F)F)CC1 307881284 RGFUFHLRUGTPRR-UHFFFAOYSA-N 287.313 3.588 30 20 CHED CC(C)CN(CCCCC#N)C[C@@H](O)c1ccc(F)cc1 121296174 UOTMWVMPOQAMFF-QGZVFWFLSA-N 292.398 3.511 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[C@H](C)CC1 408390779 ZJDLHHMBEUODNC-YEORSEQZSA-N 271.364 3.567 30 20 CHED C=C(Br)CN[C@@H](CC)c1ccccc1OC 125141022 RVHREJRVCKWDPG-LBPRGKRZSA-N 284.197 3.645 30 20 CHED C=C1CCN(Cc2cc(Cl)ccc2OC)CC1 353321432 QIGDDMANGJBYGI-UHFFFAOYSA-N 251.757 3.501 30 20 CHED CN(CCCCC#N)Cc1cc(Br)cs1 42399268 DUDCYJSLAKSPQS-UHFFFAOYSA-N 287.226 3.636 30 20 CHED CCN(C(=O)/C=C/c1ccc[nH]1)[C@H](C)c1ccc(C#N)cc1 187448837 QKYMMBXMKUIMKS-PLSXKVAHSA-N 293.370 3.509 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1cccc(F)c1 188429716 SNFRFASEVVWNAL-KRWDZBQOSA-N 277.383 3.822 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1nc2ccccc2n1C 187972994 TVARAJLDGVNEDY-SJCJKPOMSA-N 286.375 3.780 30 20 CHED C#CCCCCC(=O)N(C)c1ccc(OC)c(Cl)c1 120270022 RQIHGZRFZWUMID-UHFFFAOYSA-N 279.767 3.505 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc2occ(C)c2c1 186860534 QUJZPOXEGZUDOA-KRWDZBQOSA-N 287.359 3.909 30 20 CHED C=C(C)CN(C)[C@@H](C)C(=O)Nc1c(CC)cccc1CC 181286856 DSIROUZEIJHNQR-AWEZNQCLSA-N 288.435 3.646 30 20 CHED CCCCCCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 123433863 QSKAFPRFXZTUJR-LBPRGKRZSA-N 269.348 3.710 30 20 CHED N#Cc1ccc(C(=O)CSc2ccccc2)cc1 35014186 LFDVYQRTZHBACJ-UHFFFAOYSA-N 253.326 3.533 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N[C@](C)(C#N)C(C)(C)C 410670121 DNURCPWMEBTIFJ-XJKCOSOUSA-N 264.413 3.647 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC(C)(C)C1CCCC1 189589633 OKBPCGIKWGKQRZ-KRWDZBQOSA-N 281.440 3.548 30 20 CHED CCc1nc2c(s1)[C@@H](N(C)CCCCC#N)CCC2 152650975 LKIIBIQMECMBIF-ZDUSSCGKSA-N 277.437 3.709 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCC2(C#N)CCC2)c1 419651195 SHRUCLLWQOEZLC-OAHLLOKOSA-N 299.418 3.700 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)CCC(C)(C)C 188919787 ADMYFFAYHKYSJL-CZUORRHYSA-N 269.429 3.546 30 20 CHED CC[C@H](Cc1ccccc1)NCc1ccc(OCC#N)cc1 180546874 NPOCZEIJVROUEI-GOSISDBHSA-N 294.398 3.700 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(Cl)cc1 189781733 XLNVXGVORCKVIQ-OAHLLOKOSA-N 265.784 3.601 30 20 CHED Cc1ccc(CNc2ncc(C#N)cc2F)c(OC(C)C)c1 413188937 VQDWEQIRYIJBFU-UHFFFAOYSA-N 299.349 3.800 30 20 CHED CC(C)CCN(Cc1ccc(F)cc1C#N)C1CC1 489577038 LBNQJGWAOQNLKD-UHFFFAOYSA-N 260.356 3.708 30 20 CHED CC(C)(C)c1csc(NC(=O)c2sccc2C#N)n1 127994763 QPGMUUIMSUJDHM-UHFFFAOYSA-N 291.401 3.626 30 20 CHED CCCCCCCn1ccnc1[C@@H](O)c1ccco1 186793539 DIKCOFYCUBIWFQ-AWEZNQCLSA-N 262.353 3.528 30 20 CHED C=CC[C@H](CC)NC(=O)NC1(C(F)F)CCCCC1 504063265 ZFLRXPQORQGRQI-NSHDSACASA-N 274.355 3.608 30 20 CHED C=CC[C@@H](C(=O)Nc1ncc(C)s1)c1ccccc1 186081919 WKJGSXRXHBYRBA-CYBMUJFWSA-N 272.373 3.750 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccccc1)Cc1ccco1 36103255 YPDAMONRSWZYJC-QGZVFWFLSA-N 285.387 3.609 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1cccs1 31107027 YYDFHEXNQVQRAV-NEPJUHHUSA-N 299.399 3.741 30 20 CHED C[C@@H]1Cc2sc(NC(=O)C3CC3)c(C#N)c2[C@@H](C)C1 411014995 PYEWJXPQVZYRPD-IUCAKERBSA-N 274.389 3.654 30 20 CHED Cc1ccc2c(CC(=O)NC3(C#N)CCCCC3)coc2c1 72679803 PHGUIZMAAISYFA-UHFFFAOYSA-N 296.370 3.626 30 20 CHED C=CCC[C@H](C(=O)NC1CCCC1)c1ccccc1 186003701 JHAPSDPUPYVPBT-INIZCTEOSA-N 257.377 3.795 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCc1cccc(Cl)c1Cl 506206562 VJYZRKHFJJJOEU-AWEZNQCLSA-N 299.201 3.592 30 20 CHED N#Cc1ccc(SCc2ccc(CO)cc2)c(Cl)c1 180078268 JWFNLZXIJKASJJ-UHFFFAOYSA-N 289.787 3.996 30 20 CHED CC(C)[C@@H]1CCCC[C@H]1NCc1ccc(OCC#N)cc1 215039035 FFAWDIXRRCNLPF-ZWKOTPCHSA-N 286.419 3.893 30 20 CHED CC[C@H](NCc1ccccc1C#N)c1ccc(OC)cc1 180772598 VHMIKYODEUIDDF-SFHVURJKSA-N 280.371 3.808 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cc(C#N)n(C)c1 189586227 IRSRFMFBIRDJDT-MRXNPFEDSA-N 297.402 3.602 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc(CC(C)C)c[nH]1 412191976 BHQBDSAORWFTNU-UHFFFAOYSA-N 281.359 3.646 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1nnc(C)o1)c1ccc(F)c(F)c1 187787863 IIGAQEHZSHOEQP-LKFCYVNXSA-N 293.317 3.624 30 20 CHED C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419615913 RLJJZSMISVNNCF-CXAGYDPISA-N 297.402 3.520 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(Cc2ccccc2)CC1 182600470 DOFDKPNVMSWCET-HNNXBMFYSA-N 271.404 3.870 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 42381085 AFJHWXIORBQCMM-WBVHZDCISA-N 282.387 3.547 30 20 CHED C[C@H]1C[C@H](C(=O)N(C)c2ccccc2C#N)CC[C@H]1C 410579305 XHLOXVRXRWDEJD-HZSPNIEDSA-N 270.376 3.593 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 136327897 PFDLYNVMQRINPP-GOEBONIOSA-N 286.419 3.786 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)[S@](=O)CCCCC#N 417216281 XXYWPZRZOMKRQN-BFUOFWGJSA-N 275.417 3.679 30 20 CHED N#Cc1ccnc(SC[C@H]2CCCC(F)(F)C2)c1 509104315 VJDROVKNHVQMBL-NSHDSACASA-N 268.332 3.871 30 20 CHED C=CCC1(C(=O)NCc2ccc(Cl)cc2OC)CCC1 191463109 ZGHHXPRZSFAINU-UHFFFAOYSA-N 293.794 3.711 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cccc3c2CCCC3)CC(O)=N1 329334198 KOVUKYMTRWVLAM-YPMHNXCESA-N 286.375 3.908 30 20 CHED CC[C@@H]1CCC[C@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)C1 329828212 DCSLHFHLNGROEI-IPYPFGDCSA-N 288.391 3.931 30 20 CHED C#CCCCC(=O)N(Cc1ccccc1)CC1CCC1 192229315 RTDKUJNGDHTHCD-UHFFFAOYSA-N 269.388 3.619 30 20 CHED C[C@H](CCc1ccccc1)NCc1ccc(C#N)cc1F 44299803 ZEXGVVQLEWVJEP-CQSZACIVSA-N 282.362 3.808 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(C#N)cc1)[C@@H](C)CC 192708537 PUHUYRRIMZKNTG-STQMWFEESA-N 258.365 3.597 30 20 CHED N#Cc1ccc(CNCCc2ccc(Cl)s2)cc1 225621141 JAORCUACDWMSIK-UHFFFAOYSA-N 276.792 3.605 30 20 CHED C[C@H](CNCc1ccc(C#N)s1)Cc1ccccc1 421347116 BFSOSWUTIRRNQO-ZDUSSCGKSA-N 270.401 3.588 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C2CCC2)cc1 287097827 OHEGGLBVZVLWTH-INIZCTEOSA-N 256.349 3.832 30 20 CHED C[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2OC(F)F)C1 429559211 GVRRTZBCUKWXMQ-SMDDNHRTSA-N 294.345 3.780 30 20 CHED CC[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCC(C)CC1 424963435 DEUQIZJQLHJRRG-WZCNAGQFSA-N 276.424 3.647 30 20 CHED C[C@H]1CC(/N=C(/O)c2cnc3cnccc3c2)C[C@H](C)C1 328666665 KLZFHPGFNRYGPU-VXGBXAGGSA-N 283.375 3.759 30 20 CHED CCCCCCCCNC(=O)Cc1cccc(OC)c1 43273789 FVWNHYPUIQBCST-UHFFFAOYSA-N 277.408 3.714 30 20 CHED CCC(=O)c1cccc(NCc2ccc(F)c(C#N)c2)c1 135769858 OSGWABMZGOQUGL-UHFFFAOYSA-N 282.318 3.902 30 20 CHED C=CCSCCN[C@H](C)c1ccc2c(c1)CCC2 221938713 UOTQVJMIVGACQV-CYBMUJFWSA-N 261.434 3.745 30 20 CHED CCO[C@@H](CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 193523955 QHKIMZWOCALMFH-BEFAXECRSA-N 294.398 3.987 30 20 CHED C=C(CNC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 512662469 XPUWWRJJVRTYKW-IRXDYDNUSA-N 284.403 3.674 30 20 CHED CC(C)[C@]1(C)C[C@H]1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425558751 FLBQBFLSXGOLQC-QBIMZIAESA-N 299.418 3.695 30 20 CHED C[C@]1(CNc2cnccc2C#N)C[C@H]1c1ccccc1 338739810 LKEOWDKMJBMVAP-DOTOQJQBSA-N 263.344 3.559 30 20 CHED O=C1C(=Cc2sccc2Cl)C(=O)c2ccccc21 195332728 JNPRLJPOQGTVSC-UHFFFAOYSA-N 274.728 3.864 30 20 CHED Cc1ccc(NC(=O)c2cccc(C#N)c2C)cc1F 337760030 OIWQJGGKTCRKIO-UHFFFAOYSA-N 268.291 3.567 30 20 CHED COc1cc(C#N)ccc1CN(C)Cc1cccc(C)c1C 428725636 OVZWHVKVCWCLQM-UHFFFAOYSA-N 294.398 3.816 30 20 CHED C[C@H]1CC2(CCC2)CN1c1ccc(C(F)(F)F)c(C#N)n1 336914702 ARRIPLSIOZONIS-JTQLQIEISA-N 295.308 3.741 30 20 CHED CCCCCCCC(=O)N[C@@H](CC(=O)O)c1cccs1 236841187 FHLVBKCEBPUEKN-LBPRGKRZSA-N 297.420 3.741 30 20 CHED COc1ccc(C(C)=O)c(O[C@@H](C)c2ccc(C#N)cc2)c1 194621964 GFKHVSKEBQEOQS-ZDUSSCGKSA-N 295.338 3.909 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1ccc(C#N)s1)CCC2 335390348 VHLKEYXYPRYYJJ-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C[C@H]1C[C@@H](CC(=O)N[C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 424976060 IXLNYYORKZMZTN-ZQDZILKHSA-N 276.424 3.647 30 20 CHED N#CCC[C@@H](NC1Cc2ccccc2C1)c1ccccc1 90664864 VQJLKVRQJUQKPD-LJQANCHMSA-N 276.383 3.788 30 20 CHED C=CCOCCSc1nc(-c2ccccc2)co1 338566038 PISABQCVPMBJKZ-UHFFFAOYSA-N 261.346 3.636 30 20 CHED CCC1CCC(CNC(=O)c2ccc(CC#N)cc2)CC1 330474987 IVUQHVUDGAKYFC-UHFFFAOYSA-N 284.403 3.699 30 20 CHED N#Cc1ccc(C(=O)N2CCCCc3ccccc32)s1 334571222 CPMORWIWRYNQTF-UHFFFAOYSA-N 282.368 3.603 30 20 CHED C[C@@H](C#N)CNC(=O)c1ccc(C2CCCCC2)cc1 517642674 VYTYVPLKNUAYRW-ZDUSSCGKSA-N 270.376 3.624 30 20 CHED CC(C)(C)C1CC(C(=O)N[C@](C)(C#N)C(C)(C)C)C1 332079890 ZFSMADUTLXLOBU-ZEPSKSRBSA-N 264.413 3.503 30 20 CHED N#Cc1ccn(CCOc2ccc3ccccc3c2)c1 339198466 IDXLXANCFGLBCG-UHFFFAOYSA-N 262.312 3.592 30 20 CHED C=CCN(C(=O)c1ccc(OC)c(F)c1)c1ccccc1 97111516 YSDNMYBOVFZDOC-UHFFFAOYSA-N 285.318 3.667 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCCc2ccc(F)cc21 91230226 MMUPEVBXDSKTSH-INIZCTEOSA-N 288.366 3.587 30 20 CHED C=CCCC1(c2nc(Cc3ccc(F)cc3F)no2)CC1 519029967 VDGDTKGIQUVLQJ-UHFFFAOYSA-N 290.313 3.936 30 20 CHED CCOc1cccc(NC(=O)c2ccc(C)c(C#N)c2)c1 96617907 JLYQFTOYEXWLDE-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CC[C@H](C[C@H](C)CO)/N=C(/O)N[C@@H]1CCC(C)(C)C[C@@H]1C 331163259 LQFNYXNAISSUCE-BYNSBNAKSA-N 298.471 3.502 30 20 CHED N#Cc1ccc(SCn2cccn2)cc1C(F)(F)F 339115584 ZAXYIIOYUBEEHX-UHFFFAOYSA-N 283.278 3.523 30 20 CHED Cn1cc(/C=C2/CCCC(C)(C)C2=O)c(C(C)(C)C)n1 93902081 UZLDSGALQKLIFN-BENRWUELSA-N 274.408 3.880 30 20 CHED CC(C)(CCC#N)CNCC1(C)Cc2ccccc2C1 93971016 GGHODRSNLXIXFB-UHFFFAOYSA-N 270.420 3.711 30 20 CHED Cc1ccc(-c2nc(NC(=O)[C@@H](C)C#N)sc2C)cc1 335150466 WAMHCMKERSNIQK-JTQLQIEISA-N 285.372 3.525 30 20 CHED N#Cc1cccc(CSCCc2ccc3c(c2)CCO3)c1 437435884 RAXQVPKHFIJAAG-UHFFFAOYSA-N 295.407 3.969 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc2sccc2c1 345877744 CKXDFKLHAXNEAF-UHFFFAOYSA-N 286.400 3.961 30 20 CHED CC[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)Oc1cccc(F)c1 248927342 XKESIEOAKRSITR-FVQBIDKESA-N 290.382 3.655 30 20 CHED N#CCCNC(=O)c1ccc(SCc2ccccc2)cc1 340459726 WBJIKDYHQAUMAU-UHFFFAOYSA-N 296.395 3.622 30 20 CHED CC1=CCCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 435590865 ZVXGTXNIMBVWGI-UHFFFAOYSA-N 283.762 3.916 30 20 CHED Cc1cc(C)cc([C@H](C)Nc2cc(C#N)ccn2)c1 342245254 QJHULPPJBWKPOL-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C=CCCCNc1cc(C(=O)NC(C)C)ccc1Cl 524843137 USMBYDNFLDCATQ-UHFFFAOYSA-N 280.799 3.856 30 20 CHED N#C[C@@H](C(=O)c1ccc(SC2CC2)cc1)c1ccccn1 340975262 SEQGTVGWSTWPTQ-OAHLLOKOSA-N 294.379 3.826 30 20 CHED COc1ccc([C@@H](NCC2(CC#N)CC2)C(F)(F)F)cc1 602803779 ANXNVMWKPMJYIY-CYBMUJFWSA-N 298.308 3.582 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(Cl)o3)[nH]c12 345371434 JXVKWMVCFYREDS-SECBINFHSA-N 299.717 3.608 30 20 CHED COC(=O)c1ccc(/C=C2/C(=O)c3ccccc3C2(C)C)o1 255771691 NBGZLEWZJKLMCJ-UVTDQMKNSA-N 296.322 3.624 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2oc(C)nc2c1 348418978 HSJPWOXTAVIBFO-NSHDSACASA-N 272.348 3.611 30 20 CHED C=CCCN(CC)Cc1cccc(Br)c1 606897141 UZSJUTSHZURFLP-UHFFFAOYSA-N 268.198 3.847 30 20 CHED N#Cc1c(F)cccc1-c1ccc(C[C@@H]2CCNC2)cc1 600790928 NHRRSBSWJJRMCF-AWEZNQCLSA-N 280.346 3.516 30 20 CHED C=CCCCCCN(C)c1ccc(Cl)c(C#N)n1 523534140 QOMHAQKYIOOWCN-UHFFFAOYSA-N 263.772 3.789 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2ccnc(OC)c2)cc1 342292300 GBQKMLXZSKAJBG-AWEZNQCLSA-N 298.386 3.506 30 20 CHED CC[C@H](NC(=O)Cc1c(F)cccc1C#N)c1ccccc1 349172158 OWDVOORVUVXZIX-KRWDZBQOSA-N 296.345 3.507 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1ccc(O)cc1 604498224 OQXUUBLDJYQKGI-OAHLLOKOSA-N 255.342 3.619 30 20 CHED COc1ccc(Cl)c(N=Cc2cccc(OC)c2O)c1 255568542 DZFBTCBOWMRKES-UHFFFAOYSA-N 291.734 3.813 30 20 CHED COCCOc1ccc(/C=C\C(=O)c2ccsc2)cc1 255196560 PXZVSAXASMLVFX-DAXSKMNVSA-N 288.368 3.669 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2sccc2C)cc1 255317282 ZZCBHQLPCWONTJ-YVMONPNESA-N 285.368 3.911 30 20 CHED N#CCCN[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 449285773 FVMHSODBIVTBJP-DZGCQCFKSA-N 262.784 3.554 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc(C#N)cc2)CCCC1 449435450 CCDISCLKNGSCOM-CQSZACIVSA-N 282.387 3.872 30 20 CHED C=CCCCC[C@H](C)Nc1cnn(CC(F)F)c1 449060221 RVGPMMXMQNYSJS-NSHDSACASA-N 257.328 3.695 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(CC(=O)N(C)C)cc1 449041331 MIBWDQKTABBEEX-OAHLLOKOSA-N 288.435 3.864 30 20 CHED CCCOc1cc(C)ccc1N[C@@H]1CC[C@@H](C#N)C1 442876357 QYXFURVYZYHQFH-ZIAGYGMSSA-N 258.365 3.888 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 536794031 AFNKDDAOAVGPMG-AEFFLSMTSA-N 298.430 3.758 30 20 CHED COc1cc(C)c(CNc2cc(C)cc(C#N)c2)cc1OC 449758643 HFCYDHFAAPJKJB-UHFFFAOYSA-N 296.370 3.804 30 20 CHED C=CCOc1ccc(CNC(=O)c2cccn2C(C)C)cc1 359097185 YZLCPCNNJZAXFG-UHFFFAOYSA-N 298.386 3.564 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 536881153 IBLMQAWOHOXIAM-JTQLQIEISA-N 285.359 3.991 30 20 CHED CC(C)CSCCN[C@@H]1CCCc2cc(C#N)ccc21 611394464 KIAZWJYRKIHFNP-QGZVFWFLSA-N 288.460 3.914 30 20 CHED C=CCC1(NC(=O)CC/C=C/c2ccccc2)CCOCC1 618247698 GZKFQGKVWAXEGB-UXBLZVDNSA-N 299.414 3.722 30 20 CHED COc1ccc(C#N)cc1CN1CCCC12CCCCC2 536236980 DKQGEBUHNYQMHP-UHFFFAOYSA-N 284.403 3.866 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CC2CCC(=O)CC2)cc1 530451532 OWEJLLYETCYKGI-UHFFFAOYSA-N 298.386 3.576 30 20 CHED Cc1ccc2c(C(=O)N3CCC[C@@](C)(C#N)C3)csc2c1 619503376 IJTSBPHDBOXWBD-KRWDZBQOSA-N 298.411 3.976 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1 536747193 OWGRRTIHCNVFOA-QLFBSQMISA-N 276.424 3.705 30 20 CHED CCc1nc(C)ccc1OCc1ccc(CC#N)cc1 352562292 JEXWGQCWDKDNBV-UHFFFAOYSA-N 266.344 3.598 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 353542918 WYSKULVPWFCMHZ-MRXNPFEDSA-N 297.333 3.970 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2ccn(C)c12 351688159 WDJGXMDYHXQZTM-INIZCTEOSA-N 256.349 3.719 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](CC)OC1CCCCC1 538334252 SBXCHRHUXVZQRO-ZBFHGGJFSA-N 281.440 3.975 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CC1CCCCC1 618733505 LMJFKKKDCMMKLZ-KRWDZBQOSA-N 282.387 3.632 30 20 CHED CCCCNC(=O)[C@H](C)Sc1ccc(C#N)cc1Cl 533626922 IJHKXVQOJBQURA-JTQLQIEISA-N 296.823 3.609 30 20 CHED C=CCCNC(=O)CCOc1cc(C)ccc1C(C)C 617616939 NVEBVACNOFLIHG-UHFFFAOYSA-N 275.392 3.580 30 20 CHED C=CCCC1(C(=O)N(C)Cc2c(F)cccc2F)CC1 358295715 PBCVVZZDYIJRHT-UHFFFAOYSA-N 279.330 3.670 30 20 CHED CC(C)(C#N)CCCCN1CCc2c(F)cccc21 444680528 PQDLVTVKRWGVIQ-UHFFFAOYSA-N 260.356 3.908 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCc2ccc(F)cc21 531561400 AWMLKJJBIUUJSZ-MRXNPFEDSA-N 273.351 3.698 30 20 CHED C=CCN(C(=O)[C@@H]1CC(=O)c2ccccc21)c1ccccc1 355484590 KHUNBKXJPOXLNR-QGZVFWFLSA-N 291.350 3.576 30 20 CHED C=CC[C@H](CO)CN[C@H](c1ccccc1F)C1CCCC1 537095065 IZBKUHCDUGKHBT-KSSFIOAISA-N 291.410 3.831 30 20 CHED C[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)c2ccccc21 448709989 CCNUACCZDFDNCU-ACJLOTCBSA-N 280.371 3.611 30 20 CHED CC1(C)CN(Cc2ccc(C#N)o2)[C@H]1c1ccccc1 611264946 VGFPUDRZXYKRDX-INIZCTEOSA-N 266.344 3.734 30 20 CHED N#C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 611132675 JUQKIDJTXBTBFM-GZMMTYOYSA-N 299.252 3.718 30 20 CHED CCc1ccccc1C(=O)N(C)c1ccc(C#N)cc1F 610910387 UWQXBTHICYOEKK-UHFFFAOYSA-N 282.318 3.536 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(SCC)c1 454804955 VVDVOAQEXQRVEW-UHFFFAOYSA-N 264.394 3.886 30 20 CHED CC(C)N(C(=O)C[C@H](CC#N)c1ccccc1)C(C)C 361679328 UVORSBXWWROOHK-INIZCTEOSA-N 272.392 3.719 30 20 CHED N#CCCCCNC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 362844647 VRAHMOXAYDUEPI-IAGOWNOFSA-N 299.418 3.706 30 20 CHED C=CCCCCCN(C)Cc1cnc2c(C)cccn12 536670109 HPLSAEZSPVRKBG-UHFFFAOYSA-N 271.408 3.821 30 20 CHED CC(C)(CCC#N)CN1CC(C)(C)[C@H]1c1cccnc1 366536713 TUDVZNDGBJFQTN-OAHLLOKOSA-N 271.408 3.794 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(C)cc(C)cc1C 454164634 ISJXZZJIQLGZKZ-UHFFFAOYSA-N 260.381 3.946 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccccc1)Cc1ccco1 458994099 FQYQCGFYWKPLBF-UHFFFAOYSA-N 298.386 3.958 30 20 CHED C=CC(C)(C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 459966133 LGZMOIHWGOHVLZ-UHFFFAOYSA-N 284.403 3.755 30 20 CHED C=CCC1(NC(=O)Cc2ccc(C)cc2)CCCC1 619106044 LAWWBCKTPVXHCH-UHFFFAOYSA-N 257.377 3.543 30 20 CHED CC(C)(C#N)CCCCN[C@H](CCCO)c1ccccc1 278661966 HUAOTNXRLQQQQT-QGZVFWFLSA-N 288.435 3.810 30 20 CHED Cc1ccc(CN(C)C(=O)[C@]2(C#N)CC23CCCC3)cc1C 456970883 YKSOOSUHWRIBMZ-LJQANCHMSA-N 296.414 3.736 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CCOC3(CCCC3)C2)c1 273344144 UELSMLOLZRAJEN-INIZCTEOSA-N 298.386 3.665 30 20 CHED CC#CCCCC(=O)N[C@H](CCc1ccccc1)C(F)F 628765182 XFIVIZUTMLKUOJ-OAHLLOKOSA-N 293.357 3.563 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1cccc(CC#N)c1 455909957 CGIPCCQJBUSRGD-ZDUSSCGKSA-N 273.380 3.653 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)CCC#N)C1CCCC1 454966445 UHEHRIVQUHZKLG-AWEZNQCLSA-N 279.428 3.584 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCc2ccsc2C1 360131870 NRNRXYNNFNMTRZ-UHFFFAOYSA-N 288.803 3.831 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCCC2(F)F)CCC1 452316680 YEAZRGOWMQNVLC-GFCCVEGCSA-N 271.351 3.675 30 20 CHED C=CCCCCNC(=O)Nc1ccc(N(C)C)cc1C 274449242 CTAJYRAUCRJOPG-UHFFFAOYSA-N 275.396 3.539 30 20 CHED CC[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C1CCCC1 456649043 BZRVBGVKGHRSSF-QZTJIDSGSA-N 298.430 3.844 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cccc(OCC)c1)C1CC1 271338814 CAXITOMEGSAPDU-CYBMUJFWSA-N 288.391 3.506 30 20 CHED N#Cc1c(C2CC2)n[nH]c1NCc1ccc(C(F)F)cc1 276888574 JRPYOZBHHQSMPS-UHFFFAOYSA-N 288.301 3.708 30 20 CHED CC1(C)CC[C@@H](NCCSCc2ccccc2C#N)C1 544355998 YDWRZPDVWCNNQC-MRXNPFEDSA-N 288.460 3.960 30 20 CHED C=CC[C@H](CC)NC1CCN([C@H]2CCC[C@H](C)C2)CC1 467405833 HSMOWZDOIWGUEZ-BQFCYCMXSA-N 278.484 3.974 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1cc(C(C)=O)ccc1C#N 545469070 GZTWALJTQPTEGQ-LBPRGKRZSA-N 284.281 3.904 30 20 CHED C=C[C@@H](C)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 467356846 VCZAWUUVKZDHMG-MNOVXSKESA-N 257.299 3.801 30 20 CHED C=CCC[C@H](CCC)N[C@@H](CO)Cc1cccc(C)c1 467354812 GXWCLQREFWCRIK-ZWKOTPCHSA-N 275.436 3.623 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 462191888 VBPCJDYZAQMYOP-IHRRRGAJSA-N 272.392 3.603 30 20 CHED C#CCCCSc1nnc(C[C@H](C)c2ccccc2)o1 270903058 VFFMZYJFKKDQMI-ZDUSSCGKSA-N 286.400 3.921 30 20 CHED CC#CCCCC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 466660380 XLHCZXGRVVBTKO-CHWSQXEVSA-N 289.341 3.665 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cc(C)ccc1C 540530148 DHEVQCBIBVASSH-OAHLLOKOSA-N 259.393 3.707 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCN(C2CC2)c2ccccc21 467887017 ATIZEOQWEDAQQR-SFHVURJKSA-N 284.403 3.604 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(F)cc(F)c1 280712051 DPXICLWGANCYPB-WQGACYEGSA-N 281.346 3.597 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)N[C@](C)(C#N)C(C)(C)C 464160444 CDVFUBOPEITXPI-WMLDXEAASA-N 294.439 3.559 30 20 CHED C[C@@H](CCc1ccsc1)NCCc1cccc(C#N)c1 467443029 ATWKGGHVWADZNZ-AWEZNQCLSA-N 284.428 3.773 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)[C@@H]1CC2CCC1CC2 381663907 KDONNLFGTLZCOZ-QSUGNCRHSA-N 298.430 3.893 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(N2CCOC2=O)cc1 281823717 ZSLYEAURDOUJFY-UKRRQHHQSA-N 288.391 3.649 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](SCC)C1 551707184 WDFJCPMGFNKDKB-STQMWFEESA-N 269.454 3.769 30 20 CHED N#Cc1ccc(SCCc2ccccc2Cl)nc1 477087933 JCHIBAHTSSPBCD-UHFFFAOYSA-N 274.776 3.941 30 20 CHED CC(C)CCN(CCC#N)CC1Cc2ccccc2C1 558572703 DDTYULLWDOPDPJ-UHFFFAOYSA-N 270.420 3.663 30 20 CHED Cc1nsc(NCc2ccc([C@H]3C[C@@H]3C)o2)c1C#N 557502594 UZLXSQRMGIBDLJ-KWQFWETISA-N 273.361 3.652 30 20 CHED C=CC(C)(C)C(=O)N1CCc2cc(OCCC)ccc2C1 295598455 XZLONDDOCUONJD-UHFFFAOYSA-N 287.403 3.572 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2OC)CC1 473700105 NITCEGHDDJGIDZ-MQMHXKEQSA-N 286.375 3.722 30 20 CHED CC(C)(C(=O)NCCCC#N)c1cccc2ccccc12 294901949 IFVVXJTWRWZBSU-UHFFFAOYSA-N 280.371 3.537 30 20 CHED C=C[C@H](Cc1nc(-c2ccco2)no1)c1ccccc1 556313884 FHPIWRCJHSVAPL-GFCCVEGCSA-N 266.300 3.842 30 20 CHED C=CCC[C@H](NC[C@@H](C)CN1CCCCC1)c1ccco1 552037744 IDNLSTTXBSDGKO-SJORKVTESA-N 290.451 3.999 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)[C@H]1c1ccncc1 293839926 HBPFFKYOCRWOIK-KRWDZBQOSA-N 277.371 3.536 30 20 CHED Cc1cc([C@H](C)N[C@H](CCC#N)c2ccccc2)no1 290766256 RXJIDJKLGFINQJ-DZGCQCFKSA-N 269.348 3.679 30 20 CHED C/C(=C/C(=O)NCC(C)(C)CCC#N)c1ccccc1 805280208 CQOTWVNHPBRBBN-OWBHPGMISA-N 270.376 3.536 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1CCCCCCC1 803296936 TXZQWSJVARQIOQ-UHFFFAOYSA-N 285.391 3.899 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2ccc(Cl)cc2)c1 806558509 FBYNCQVNBBHSHJ-TWGQIWQCSA-N 286.714 3.934 30 20 CHED C[C@@H](NC(=O)/C=C\c1ccccc1C#N)c1ccsc1 801017739 GMPQBHZURCUSMW-ZHRWSRJISA-N 282.368 3.510 30 20 CHED N#CCCCC(=O)N[C@@H](c1ccccc1F)C1CCCC1 291993984 WEIOQHGWBBRRNI-QGZVFWFLSA-N 288.366 3.867 30 20 CHED C=CCCCCCCNC(=O)Nc1cnn(CCC)c1 806312604 WRIRRYLYGWJMQV-UHFFFAOYSA-N 278.400 3.551 30 20 CHED O=C1/C(=C/c2cc(F)ncc2F)CCc2ccccc21 806565839 TVZSIXMFNNSZIQ-YRNVUSSQSA-N 271.266 3.572 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 292191265 QYDPLRMVJPOELP-WPGHFRTFSA-N 290.794 3.847 30 20 CHED CCN(Cc1cncc(OC)c1)[C@@H](C)c1ccc(C#N)cc1 290242306 JGXDMWSMMROWHV-AWEZNQCLSA-N 295.386 3.545 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(OC(F)F)cc2F)C1 802657262 AINDSHINXMKDAW-IUCAKERBSA-N 270.254 3.531 30 20 CHED C=CCCCCCCNC(=O)N1C[C@H](C)C[C@@H]1C 806004408 HSSUOPQMXWOKIB-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1scc(C)c1C#N 569705658 CCADDZIHERPORW-NSHDSACASA-N 275.377 3.501 30 20 CHED N#CCCCOc1cccc(CN[C@H]2CCC[C@@H](F)C2)c1 564960852 JMTFRIXEHIFKRJ-CVEARBPZSA-N 290.382 3.739 30 20 CHED COC1(CNc2ncc(Cl)c(C)c2C#N)CCCCC1 475728410 APHXHQNLRYHLQO-UHFFFAOYSA-N 293.798 3.676 30 20 CHED C=CCC(C)(C)c1noc(-c2ncccc2OCCC)n1 645627381 LEJIEHPFGMBBPO-UHFFFAOYSA-N 287.363 3.774 30 20 CHED C=CCC[C@H](C(=O)NCC1(C(F)F)CC1)c1ccccc1 471268902 PDXOQOLYTHYPEW-AWEZNQCLSA-N 293.357 3.898 30 20 CHED Cc1cccc(NC(=O)[C@H](C)Sc2ccccc2C#N)c1 564562006 OXAIPJQWIDJJHR-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED N#CCCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 298683878 ZDBZCUATVHJJSQ-ZDUSSCGKSA-N 284.281 3.540 30 20 CHED CCOCc1cccc(N=Cc2cc(OC)ccc2O)c1 299735844 KAUMHGRLXPUBHS-UHFFFAOYSA-N 285.343 3.688 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCc2sccc2C1 644628923 JZRSHBHXKULCPA-UHFFFAOYSA-N 263.406 3.625 30 20 CHED CCc1cccc(NC(=O)NCCCCC#N)c1CC 487605005 JLUHXFNUALCXRX-UHFFFAOYSA-N 273.380 3.627 30 20 CHED Br/C(C=NOC1CCC1)=C\c1ccccc1 812236063 VITYQNSWDPEBFB-ZDDADBLPSA-N 280.165 3.977 30 20 CHED CC(=NOC/C=C/Cl)c1c(Cl)nc2sccn12 811669573 QSAWJJXJKNKEIY-CRILZPBOSA-N 290.175 3.542 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1ccc(C#N)o1)C(C)(C)C 814119724 LUOFGAZUSDNUQK-MRXNPFEDSA-N 296.370 3.977 30 20 CHED C=CCCCCOC(=O)Cc1cn(C)c2ccccc12 811011676 HJBDTPRYNQLUDZ-UHFFFAOYSA-N 271.360 3.620 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCOCc1ccccc1 488824276 MXTWHELUVMASHH-QGZVFWFLSA-N 287.403 3.551 30 20 CHED COc1cccc(O)c1/C=N\CCCCc1ccccc1 812412353 KYGKRNPMXBXVNH-RGEXLXHISA-N 283.371 3.843 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1SCCc2sccc21 488880390 QOVSAZDNBWUEGF-RISCZKNCSA-N 293.457 3.646 30 20 CHED C[C@H](NN=Cc1cccc(O)c1Cl)c1ccccc1 814815486 ZORSROCGVQRGHD-NSHDSACASA-N 274.751 3.730 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1CCC1CCCC1 487306604 OWXLWZNIYXMWKN-HIFRSBDPSA-N 264.413 3.705 30 20 CHED CCN(Cc1ccc(Cl)cc1C#N)CC1CCC1 483129380 SFNQXHAETPFOTG-UHFFFAOYSA-N 262.784 3.834 30 20 CHED N#CCC1(OC(=O)[C@H]2C[C@]23CCCc2ccccc23)CCC1 810854276 RIBYUGVDBCBAOC-APWZRJJASA-N 295.382 3.660 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)CCC1 481865331 VKEJSEFYXJWTOD-HNNXBMFYSA-N 291.435 3.731 30 20 CHED CSc1ccc(C=NNCc2ccc(F)c(F)c2)s1 814807828 MTUHYAPHPSHDFN-UHFFFAOYSA-N 298.383 3.872 30 20 CHED C=CCCCCCCCNC(=O)c1ncccc1C 810767297 RUDIUNCVZUMGPU-UHFFFAOYSA-N 260.381 3.646 30 20 CHED Cc1cc(Cl)cc(C#N)c1Oc1ncnc2c1CCC2 575169401 STHCBMUACAJZOK-UHFFFAOYSA-N 285.734 3.591 30 20 CHED CCC(CC)NN=C1CCC[C@@H](CCCC(=O)OC)C1 814851900 ZYZQLOVKNXXZKR-ZDUSSCGKSA-N 282.428 3.654 30 20 CHED Cl/C=C\CON=Cc1ncc(-c2ccccc2)s1 811672409 YEHBWOJXPUROQH-PLBVDPBDSA-N 278.764 3.913 30 20 CHED C=CCCC(=O)Oc1ccc(C)cc1Br 726497698 ASORMQSVWCHGQD-UHFFFAOYSA-N 269.138 3.629 30 20 CHED C=CC[C@H]1CCCN(C(=O)N(C)C(C)(C)CC)C1 657092536 ANOGDIQIWCCRKW-ZDUSSCGKSA-N 252.402 3.515 30 20 CHED C=CCOc1cccc(CNCCCc2ccco2)c1 657779569 DUTGJRYCDKEQBV-UHFFFAOYSA-N 271.360 3.567 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 658977677 FVRFKXNPRRSTIW-OAHLLOKOSA-N 297.402 3.747 30 20 CHED C#CCCCOC(=O)CCc1ccc(-c2ccccc2)o1 727040857 WATILJHFCNIPKJ-UHFFFAOYSA-N 282.339 3.836 30 20 CHED C=Cc1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 579139199 ZDSNPGYNXZQXSC-UHFFFAOYSA-N 288.350 3.620 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C[C@@H](C)CC)cc1 571578110 FIJKDVJGTXFSJX-XJKSGUPXSA-N 272.392 3.708 30 20 CHED Cc1c(NN=C/C=C\c2ccco2)cccc1[N+](=O)[O-] 727973416 KVQDFHRDUQXOKR-JPYZBZMJSA-N 271.276 3.607 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](c1cccs1)C(C)(C)CO 824469355 YJJQCCOWVCBXJU-IUODEOHRSA-N 295.448 3.526 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(Cl)n1 823708380 XQSMYZHKMYAJPF-UHFFFAOYSA-N 273.163 3.929 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H](C)CC(C)C 490277206 TYQVINCDVSBSNF-HNNXBMFYSA-N 277.408 3.909 30 20 CHED CCOc1cc(N=Cc2ccccc2O)ccc1C 727264946 BEDNJNJYGIEXAQ-UHFFFAOYSA-N 255.317 3.850 30 20 CHED C=CCOCC(=O)Nc1ccc(-c2ccccc2)cc1F 729314274 JKFGRUBYTCQDEQ-UHFFFAOYSA-N 285.318 3.634 30 20 CHED CCCCc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 585720945 LDOMPFKCSKBIFK-KRWDZBQOSA-N 272.392 3.697 30 20 CHED Fc1cccc(NN=Cc2cc(F)c(F)c(F)c2)c1 727969499 HJHLADDRRWYNNG-UHFFFAOYSA-N 268.213 3.689 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1csc(Cl)c1 588559167 KPQRGVWLHCZJQV-PLNGDYQASA-N 280.780 3.594 30 20 CHED C=C(C)CCc1noc([C@H]2CCc3cc(F)ccc32)n1 664879009 YTVXGKGFLJNLGA-AWEZNQCLSA-N 272.323 3.796 30 20 CHED CN(CC(C)(C)C#N)C(=O)CCC(C)(C)c1ccccc1 497355657 ZXQLFDIGXRYPHY-UHFFFAOYSA-N 286.419 3.753 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1CON=Cc1cccs1 734834392 MHDXFIBCGXHMTI-UHFFFAOYSA-N 296.735 3.860 30 20 CHED C=CCCCOC(=O)C[C@@H](C)Cc1ccccc1OC 735532216 AWQSWIOWHVZPOS-AWEZNQCLSA-N 276.376 3.773 30 20 CHED CCC(CC)N(CC)C(=O)N[C@H]1CCc2cc(C#N)ccc21 589648588 YBACFVDHVLWCTG-KRWDZBQOSA-N 299.418 3.766 30 20 CHED C=CC[C@@H](C(=O)N1CCCC[C@@H](C)C1)c1ccccc1 490201794 MMJVMSZGXFEBEU-NVXWUHKLSA-N 271.404 3.995 30 20 CHED Cc1sccc1C(=O)O[C@@H](C#N)C1CCCCC1 835343235 WQILEXTYOUFMKY-ZDUSSCGKSA-N 263.362 3.686 30 20 CHED C#CCN(CC(F)(F)C(F)F)[C@H]1CCc2ccccc21 733897409 FKENUFUYTRJNCH-ZDUSSCGKSA-N 285.284 3.510 30 20 CHED N#Cc1ccc(SCCCCC2(C#N)CCC2)nc1 901459760 LYIFTYQHNVRPSY-UHFFFAOYSA-N 271.389 3.910 30 20 CHED N#CC1(CCCCOC(=O)Cc2cccc(F)c2)CCC1 908690395 MPXYAFWQTILZDR-UHFFFAOYSA-N 289.350 3.776 30 20 CHED N#CCCC1CCN(CC#Cc2ccccc2Cl)CC1 581367649 KNWFCBZZYSAHGM-UHFFFAOYSA-N 286.806 3.707 30 20 CHED C#CCN(C(=O)c1cc2occc2s1)C1CCCCC1 736007170 SMFLFQACFQMVNU-UHFFFAOYSA-N 287.384 3.902 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2nc(Cl)ccc2Cl)C1 839045403 ZKRKFTITWKSVPL-DTWKUNHWSA-N 299.157 3.628 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2csc(Cl)c2)C1 839058112 JDERJBAGAQIUJL-WCBMZHEXSA-N 269.753 3.641 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(Br)c(F)c1 903105991 KNAJOGPVCLLFMJ-VIFPVBQESA-N 297.171 3.543 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC3(CCCCC3)C2)cc1 839132823 RQPAQLGUCHWSRK-OAHLLOKOSA-N 284.403 3.744 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(Nc2ccccc2)cc1 733892172 YCJYHYUTGAVXFZ-LBPRGKRZSA-N 265.316 3.528 30 20 CHED N#CCc1ccc(COC(=O)[C@@H]2CCCCC2(F)F)cc1 835273900 SWAWPOQVNYYLAV-AWEZNQCLSA-N 293.313 3.621 30 20 CHED C=CCCCCOC(=O)c1ccc(C)nc1Br 837597038 AMOKRWCQZUKMEA-UHFFFAOYSA-N 298.180 3.666 30 20 CHED C#C[C@H](NC(=O)c1ccc(C)c(Cl)c1Cl)C(C)C 831175259 IHLDOYYJPHHDHV-NSHDSACASA-N 284.186 3.689 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)OCc1cc2ccccc2s1 835472888 SAPHOYXPRVFFIA-KGLIPLIRSA-N 288.368 3.536 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(Cl)c(F)c2)C1 839056969 RRWFLFXHSIQLEN-KOLCDFICSA-N 281.714 3.718 30 20 CHED CCCCCCCCC(=O)NC1CCN(C2CCC2)CC1 837045409 UXNPAURQBOOPKN-UHFFFAOYSA-N 294.483 3.870 30 20 CHED CC(C)(C)C#CC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 837458064 CCUXWRDZFQPTAI-RYUDHWBXSA-N 289.341 3.521 30 20 CHED Fc1ccc(NN=CCCc2ccccc2)c(F)c1 916248140 NZSLRQIWXZMMCP-UHFFFAOYSA-N 260.287 3.995 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCCC2CC(F)(F)C2)cc1 835060902 OTJUBSSXRZXZOT-LBPRGKRZSA-N 294.345 3.502 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N(CCC#N)CCC(C)C)c1 599325980 OCGOUBHCLDFZGE-ZWKOTPCHSA-N 298.430 3.887 30 20 CHED CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C1CCCC1 595095933 TXOWTSNQKIDSBT-SJKOYZFVSA-N 290.382 3.553 30 20 CHED CC[C@@H](C)[C@H](C=NNc1ccccc1Cl)OC 834917118 YROHKCJLQQAXSF-MFKMUULPSA-N 254.761 3.799 30 20 CHED CCCn1nc(C)c(-c2cc(C#N)ccc2C)c1C 596640688 PFYWDLYSOZHDTD-UHFFFAOYSA-N 253.349 3.757 30 20 CHED CCC(=NNc1ccccc1)c1ccc(OC)c(OC)c1 916592542 MOZGLYYXRRXHNU-UHFFFAOYSA-N 284.359 3.930 30 20 CHED CCOc1ccc(/C=N\Cc2sccc2C)c(O)c1 914558485 WYOMPOVKGLOBRN-SXGWCWSVSA-N 275.373 3.780 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H](C)C1(F)F 599514835 LGAXSAIDAHGUDK-PHIMTYICSA-N 298.764 3.935 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ncccc1Cl 747754036 YSYOPGBMEOHVOX-JTQLQIEISA-N 251.761 3.959 30 20 CHED CC[C@](C)(C#N)NC(=O)/C=C(/C)c1cccc(Cl)c1 749933828 LXCFORHCGVZEHC-MEODZPNASA-N 276.767 3.552 30 20 CHED N#C[C@@H](c1ccccc1)N1CCCO[C@@H](c2ccccc2)C1 595300263 OGEXOUYPRRWXSC-RBUKOAKNSA-N 292.382 3.715 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCC[C@@H]1CCC 590639027 AAEJXXYJMARHOU-LSDHHAIUSA-N 266.429 3.953 30 20 CHED C=CCCSCCNCc1cc(F)cc2cccnc12 594960590 UYMJIDNJTNMFIY-UHFFFAOYSA-N 290.407 3.773 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCCOC(C)(C)C 591853670 VYILKMYWQKMVHE-CQSZACIVSA-N 274.408 3.756 30 20 CHED C(=NN=C(c1ccccc1)c1ccccc1)c1ccc[nH]1 916264128 XUTZGGVEVCMHBY-UHFFFAOYSA-N 273.339 3.886 30 20 CHED CC(C)(C#N)CCOc1cnc2c(F)cccc2c1 596319236 VSBXLEHSLFJOAZ-UHFFFAOYSA-N 258.296 3.693 30 20 CHED C[C@@H](CO)N(C)N=C1CC=C(c2ccc(Cl)cc2)CC1 842538478 KVORYTKFWAZKTH-LBPRGKRZSA-N 292.810 3.576 30 20 CHED Cn1c(NN=CC2CCCCC2)nc2ccccc21 915967673 LUALDBHDRXGJHN-UHFFFAOYSA-N 256.353 3.551 30 20 CHED Cc1cc(CON=Cc2ccc(C(C)(C)C)cc2)on1 749256307 RPNOAWUORMIPLO-UHFFFAOYSA-N 272.348 3.831 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C#N)s2)ccc1O 748997937 LXPRTDOTOGTYLJ-ALCCZGGFSA-N 269.325 3.530 30 20 CHED CCN(CC)Cc1cccc(C/N=C\c2ccccc2O)c1 915981625 VLBJPTNZZDTLGM-ZHZULCJRSA-N 296.414 3.853 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1nc(Cl)c(C#N)s1 841225472 QROXDRWHRFNWHN-BDAKNGLRSA-N 297.811 3.823 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1cc2ccccc2o1 916287912 IYHVDMHOLDIMQR-UHFFFAOYSA-N 286.722 3.712 30 20 CHED FC(F)(F)c1cccc(NN=Cc2cccnc2)c1 916259960 LKDDXRKTLFATIS-UHFFFAOYSA-N 265.238 3.546 30 20 CHED CCC[C@H](C)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940265 AKXNJNHABJBZRS-GXSJLCMTSA-N 262.378 3.633 30 20 CHED CCCCNN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 915965963 HTFGMVROGIUBNJ-UHFFFAOYSA-N 287.319 3.578 30 20 CHED Fc1ccc(NN=C2CCc3ccccc32)c(F)c1 916248005 DDZFQSGPPMXVLI-UHFFFAOYSA-N 258.271 3.727 30 20 CHED Cc1cccc2cc(C(=O)OCC3(CC#N)CC3)oc12 744278918 YOBYVUOOVQMWNC-UHFFFAOYSA-N 269.300 3.592 30 20 CHED CCc1nc2ccccc2n1N=C(C)c1ccsc1 749098497 AXLMWTSZQQLTEO-UHFFFAOYSA-N 269.373 3.933 30 20 CHED C[C@H]1CCC[C@H](C(=O)OCc2cc(C#N)ccc2F)C1 745156359 BPWGYCPCRIJYDB-AAEUAGOBSA-N 275.323 3.567 30 20 CHED C=CCOc1ccc(OC(=O)COc2ccccc2C)cc1 742860310 SPGJRLJZDOQTII-UHFFFAOYSA-N 298.338 3.544 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 592600082 KMYFKYVCEZLARR-PBHICJAKSA-N 282.387 3.872 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1ccccc1Cl 745529827 DEVQGSAHBHNQJC-GFCCVEGCSA-N 282.767 3.927 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)C2CCC3(CC2)CC3)C1 597257884 JFWIVCJCMGPARB-GUYCJALGSA-N 274.408 3.545 30 20 CHED C[C@H]1OCCC1=NN=C1c2ccccc2-c2ccccc21 747750658 CHMDJUZOMQHDGL-GFCCVEGCSA-N 276.339 3.669 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1c2ccccc2C(C)(C)[C@@H]1C 598275342 OMCGGCLGBMBCJL-LBPRGKRZSA-N 293.370 3.521 30 20 CHED C=CCSCCNC(=S)Nc1ccc(C)c(C)c1 745019975 YHVBIUDRXRZFRA-UHFFFAOYSA-N 280.462 3.509 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)/C=C\c1ccccc1C#N 920230768 XEPDCGPTHSZIQA-CRYPRFJLSA-N 282.387 3.514 30 20 CHED Cc1c(C(=O)OCC2(C#N)CC2)[nH]c2c(Cl)cccc12 840636853 WRPNAXFCGUSGPJ-UHFFFAOYSA-N 288.734 3.590 30 20 CHED COC1(CC/N=C/c2c(O)ccc3ccccc23)CCC1 840707600 WUXXYKFXGBDEDJ-CPNJWEJPSA-N 283.371 3.924 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(C)c(C)c1)c1ccccc1 757575219 BGOWTTBNLVZRNJ-GOSISDBHSA-N 277.367 3.798 30 20 CHED C#CCCCCNC(=O)[C@H](CC)CC1CCCCC1 758627265 ZVKSWVDGTKZLOS-MRXNPFEDSA-N 263.425 3.903 30 20 CHED O=C(O)c1ccccc1NN=C[C@@H]1CCc2ccccc21 755602203 UFAMFVLKOWVHIL-ZDUSSCGKSA-N 280.327 3.513 30 20 CHED Cc1cc(-c2ccccc2)ccc1NC(=O)NC[C@@H](C)C#N 757199184 QLEFFWHZCHYFGJ-ZDUSSCGKSA-N 293.370 3.943 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cc(-c2ccccc2)on1 924897878 JUFJRUWGBPQXNY-ZDUSSCGKSA-N 283.375 3.760 30 20 CHED CC1(C)C(=NOCC(F)F)C[C@@H]1OCc1ccccc1 758903597 MFVMJOJAAWECCH-ZDUSSCGKSA-N 283.318 3.639 30 20 CHED CC(=NOCC(F)F)c1cc(Cl)ccc1Cl 758900183 QWKSKOMEAZRUAB-UHFFFAOYSA-N 268.090 3.999 30 20 CHED C=C[C@H](C)NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 756975119 UFUJCNAWDPCZHW-ZDUSSCGKSA-N 297.402 3.631 30 20 CHED CCC(=NOc1ccccc1C(F)(F)F)[C@H]1CCOC1 754722389 CZJRFQLDBXSWEE-JTQLQIEISA-N 287.281 3.887 30 20 CHED Cc1ccc(C#N)cc1-c1nc([C@@H]2CCCCS2)no1 923967147 ZFAQEZPLDODJHY-ZDUSSCGKSA-N 285.372 3.875 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(CC#N)cc1 921002595 RKDJCNWDAWDTET-CYBMUJFWSA-N 296.345 3.709 30 20 CHED Cc1ccc(F)cc1NN=C[C@]1(C)CCCS1 853393273 ADTRHYRNRMNUQY-ZDUSSCGKSA-N 252.358 3.818 30 20 CHED CC(C)c1cc(NC(=O)C2(C#N)CCCC2)ccc1O 922381578 KFUHHFDZVDAXND-UHFFFAOYSA-N 272.348 3.538 30 20 CHED C#CCCSc1nnc(SCCCC)s1 751759602 IIRQPILJDNNTMR-UHFFFAOYSA-N 258.437 3.546 30 20 CHED C#C[C@H](CC)NC(=O)N(CCC)[C@H]1CCc2ccccc21 753272068 HEHSBDYBULACGJ-WBVHZDCISA-N 284.403 3.507 30 20 CHED C#CC[C@H](NC(=O)N[C@@H](CC)CCC)c1ccccc1 757017471 JPVJEVOMPLNAIZ-HOTGVXAUSA-N 272.392 3.629 30 20 CHED Cc1cc([C@H](C#N)C(=O)CC2CCCCCC2)nc(C)n1 750684237 OKKMKLWPUMQLRQ-HNNXBMFYSA-N 285.391 3.630 30 20 CHED FC(F)(F)c1ccc(C=NO[C@@H]2CCCCO2)cc1 755820801 FOTJSUODVSRIIC-GFCCVEGCSA-N 273.254 3.583 30 20 CHED C=CC[C@@H](C)NC(=O)OCc1cccc(Cl)c1 858992023 YUEFPNAOZGNCEP-SNVBAGLBSA-N 253.729 3.531 30 20 CHED C=CCCCON=C(c1ccccc1)C(F)(F)F 751953888 FALXAERLBVRDEL-UHFFFAOYSA-N 257.255 3.936 30 20 CHED CC(CC1CCCC1)=NNc1cccc(C(=O)O)c1 752717174 CORUZQMOTJBGGN-UHFFFAOYSA-N 260.337 3.753 30 20 CHED C[C@@H](c1ccccn1)N(C)CCCCC1(C#N)CCC1 930120015 UKNKCXFAEUUXNW-HNNXBMFYSA-N 271.408 3.939 30 20 CHED C=CCOc1ccc(COC(=O)[C@@H](C)c2ccco2)cc1 763640138 BKACBTPNQYLQCO-ZDUSSCGKSA-N 286.327 3.691 30 20 CHED COc1cccc(/C=N\[C@@H]2CCCc3sccc32)c1O 767335803 APXOFTNMILKTOG-OMJMQIJPSA-N 287.384 3.959 30 20 CHED CC(CC1CCCC1)=NNCC(F)(F)C(F)(F)F 863181078 HDPPCRGWWUQRDN-UHFFFAOYSA-N 272.261 3.730 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)c(F)c2)ccc1C#N 766455218 NQDDQPZDXSFENK-UHFFFAOYSA-N 289.260 3.730 30 20 CHED C=CCCS(=O)(=O)Oc1ccc(-c2ccccc2)cc1 765152901 UXFABQQHWDJEOE-UHFFFAOYSA-N 288.368 3.638 30 20 CHED CC(C)(CC#N)COC(=O)c1cc2occc2s1 764830821 YNPWFNLULUGJRH-UHFFFAOYSA-N 263.318 3.591 30 20 CHED C=C(C)CSCCOc1ccc(/C=C\C(=O)OC)cc1 767864838 FKDDGHUGOYYEPG-TWGQIWQCSA-N 292.400 3.561 30 20 CHED CCCCCCCNC(=O)Nc1cccc(CC#N)c1 861169872 UMFCIJJDNOAKID-UHFFFAOYSA-N 273.380 3.845 30 20 CHED CC(=NNCCCOCc1ccccc1)C1CCCC1 863178643 ZGEGRTBJBNQIAW-UHFFFAOYSA-N 274.408 3.749 30 20 CHED Cc1ccccc1C(C)(C)C(=O)OCC1(C#N)CCC1 768095239 NSDWLEMXNJMVGM-UHFFFAOYSA-N 271.360 3.510 30 20 CHED O=C(/C=C/c1ccc(Br)cc1)c1cscn1 769264686 MOLPMRVOGQADQB-ZZXKWVIFSA-N 294.173 3.802 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(NC(=O)OC)c(F)c1 935334732 LNKNQMSERXEVTO-JTQLQIEISA-N 294.326 3.545 30 20 CHED C=CCN(C)C(=O)Nc1cccc(SC(F)(F)F)c1 861651787 HWCDETANNLEOLF-UHFFFAOYSA-N 290.310 3.948 30 20 CHED C=C(Cl)CNC(=O)[C@@H](CC)C1CCC(C)CC1 763762573 DJCMYWDLHXRIQO-GDKBPFBDSA-N 257.805 3.708 30 20 CHED C=CC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccncc1 767687023 BPEPKOFRMZUPIL-GOSISDBHSA-N 277.371 3.669 30 20 CHED C=CCCOCc1nc(C2CCCCCCC2)no1 762362472 AUPWZQDSDFBLRO-UHFFFAOYSA-N 264.369 3.990 30 20 CHED Cc1sc(Cl)nc1C(=O)O[C@H](C#N)C1CCCCC1 763290220 UYGXKXNJTKKKCV-SNVBAGLBSA-N 298.795 3.734 30 20 CHED COc1ccc(C=NNc2c(C)cccc2F)cc1F 769841030 RZLBMWZLBPKDLD-UHFFFAOYSA-N 276.286 3.728 30 20 CHED Oc1ccc(Cl)cc1/C=N/[C@@H]1CCOC2(CCC2)C1 767688122 JMWQGPPMUZWMIX-VGSSETLESA-N 279.767 3.566 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 767258023 SBYMHJBBOFZDTG-ZWKOPEQDSA-N 296.197 3.577 30 20 CHED CS[C@H](C)CCC(=O)O[C@H](C)c1cccc(C#N)c1 773779048 DHOUXTNENGDUOR-VXGBXAGGSA-N 277.389 3.694 30 20 CHED C=CCC[C@@H](CCC)NCc1ccccc1C(=O)O 874043567 PNSMLSXHQPPIPT-CQSZACIVSA-N 261.365 3.609 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2ccc(N(C)C)cc2)CC1 877424425 XJIVDMGJQBZXNT-INIZCTEOSA-N 299.462 3.872 30 20 CHED CC[C@@H](C)Oc1ccc(NCc2cccc(C#N)n2)cc1 876825470 VRTSMMWVTRRJAW-CYBMUJFWSA-N 281.359 3.743 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ccccc1C(=O)O 773191543 UFQGXBBURLQMBC-OCCSQVGLSA-N 272.348 3.775 30 20 CHED Clc1ccnc(NN=Cc2cnc(C3CCC3)s2)c1 777906625 YTRAATPMLWOHEZ-UHFFFAOYSA-N 292.795 3.905 30 20 CHED CC(C)(C#N)CCN1CCCc2cc(OC(F)F)ccc21 776587234 KCLDPHPSEFNBGM-UHFFFAOYSA-N 294.345 3.980 30 20 CHED C#CCCCN1CCC(c2cccc(F)c2F)CC1 770687651 MVYACPRQLMZDPV-UHFFFAOYSA-N 263.331 3.558 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCCC(C)(C)C#N 776388030 ZEVZBNMVBHMBHC-GFCCVEGCSA-N 251.370 3.686 30 20 CHED N#Cc1ccc(CNN=C2CCCc3ccc(F)cc32)cc1 776187909 PGUCCFRNGFLCBT-UHFFFAOYSA-N 293.345 3.528 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(OC)ccc1Cl 888443939 XJDYPQRDWBGCJN-UHFFFAOYSA-N 267.756 3.889 30 20 CHED CC(C)(C#N)CCOC(=O)c1csc2c1CCCC2 776366773 KDABIBRYBADMFI-UHFFFAOYSA-N 277.389 3.724 30 20 CHED Cc1ccc(N(C)C(=O)Cc2ccccc2CC#N)cc1C 776834477 YGGGDZYGZDYRHQ-UHFFFAOYSA-N 292.382 3.575 30 20 CHED C(=NOC1CCCCC1)c1cnc(-c2ccccc2)nc1 777458032 DAEINYWVSIHGBT-UHFFFAOYSA-N 281.359 3.827 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CCCC1(C)C)c1ccccc1 772194049 ZQFBQGNMRRBICB-CVEARBPZSA-N 269.388 3.694 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccc(Cl)s1 779741867 MYSKGIBHPCGRCP-UHFFFAOYSA-N 283.824 3.944 30 20 CHED FC(F)(F)c1ccccc1C=NOCC[C@@H]1CCCO1 786734035 IENNMFMFMAIAQZ-LBPRGKRZSA-N 287.281 3.625 30 20 CHED C=C(CNC(=O)Cc1cc(C)ccc1F)c1ccccc1 1129475909 RAVQYZLVCLLHTJ-UHFFFAOYSA-N 283.346 3.506 30 20 CHED CCC1(C=NNc2ccc3ccccc3n2)CCOCC1 781113660 CYWZKWLSYAPJFD-UHFFFAOYSA-N 283.375 3.839 30 20 CHED CSCCON=C(C)c1cccc(OC(F)(F)F)c1 794572306 FKCPDHJZFOWQBC-UHFFFAOYSA-N 293.310 3.689 30 20 CHED C[C@H](OC(=O)c1cccc2[nH]ccc12)c1ccc(C#N)cc1 782943061 TZMDNINVCDNKKO-LBPRGKRZSA-N 290.322 3.958 30 20 CHED C=CCCCCCOC(=O)c1cc(NC(C)=O)ccc1F 783127050 QOHKCFALFKULSD-UHFFFAOYSA-N 293.338 3.687 30 20 CHED C=C(CC)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F 1123683891 ARPVOKFHQLPOAW-CYBMUJFWSA-N 285.309 3.633 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)c(OC(C)C)c1 785699058 MTIBMYUWXXEEFV-UHFFFAOYSA-N 273.376 3.914 30 20 CHED CC(C)C(C=NNc1ccccc1[N+](=O)[O-])C(C)C 788928370 ILUPAECSTUIVAM-UHFFFAOYSA-N 263.341 3.921 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](CC)CC(F)(F)F 1123625173 QGDHGUTVDPCBMG-RYUDHWBXSA-N 292.345 3.858 30 20 CHED C=CCCN(C)Cn1c(-c2ccccc2)nsc1=S 786101759 PZAWDFZKZACETC-UHFFFAOYSA-N 291.445 3.806 30 20 CHED Clc1c(C=NN[C@@H]2CCCOC2)sc2ccccc12 780262126 QQLWSAHKYLFVBW-SNVBAGLBSA-N 294.807 3.657 30 20 CHED C[C@H](C#N)COC(=O)C1c2ccccc2Oc2ccccc21 781832299 ARMHCDOGFGPCIE-GFCCVEGCSA-N 293.322 3.627 30 20 CHED C#CCC1(C(=O)NC[C@@H](C)Oc2ccccc2)CCCCC1 788218287 OSMUZEMCFIJIDW-MRXNPFEDSA-N 299.414 3.544 30 20 CHED N#CCC1(OC(=O)CCCc2c[nH]c3ccccc23)CCC1 788144967 MBKAKHUSHSOVTJ-UHFFFAOYSA-N 296.370 3.870 30 20 CHED C#Cc1ccc(NC(=O)C[C@]2(C)CC2(Cl)Cl)cc1 891313830 ZYLQPWINRJYSAM-CYBMUJFWSA-N 282.170 3.580 30 20 CHED N#Cc1ccc(N[C@H](c2ccccn2)C2CC2)c(F)c1 895794674 YAAYEEIMCAHZIQ-INIZCTEOSA-N 267.307 3.656 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)C1 896876402 FWGJOHBQJOFEBA-UONOGXRCSA-N 297.314 3.683 30 20 CHED O=C(c1ccc(Cl)s1)N(O)Cc1ccc(F)cc1 899895089 IRNQUASIYXTSGM-UHFFFAOYSA-N 285.727 3.572 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@](F)(C#N)C1 786234201 SMEUWVUUEMZRMS-INIZCTEOSA-N 282.403 3.981 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1ccc2c(c1)CCCC2 1205236955 FGXCPUDUMURUFL-KBXCAEBGSA-N 270.420 3.778 30 20 CHED Cc1cccc(C)c1CNc1ccc(F)c(C#N)c1 83399063 CCNSWFAQRQZPDQ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1cccc(Cl)c1 796454972 JODFOVQXELHPBE-UHFFFAOYSA-N 280.751 3.668 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCC12CCC2 799888391 OEEVUOKJHDAXMU-UHFFFAOYSA-N 278.787 3.985 30 20 CHED Cc1cc(C(=O)OCC2(C#N)CCC2)c(C)cc1Cl 796851361 SCBIBTYEDHJXKR-UHFFFAOYSA-N 277.751 3.808 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@@H](CC)c1ccc(C)cc1 791201781 LZRZITXMFDMBCN-WBVHZDCISA-N 271.404 3.797 30 20 CHED C[C@@H](OC(=O)CCCOC(C)(C)C)c1ccc(C#N)cc1 797101341 SZYCMPGNTJGEMU-CYBMUJFWSA-N 289.375 3.758 30 20 CHED C[C@@H](NN=C1CCCC12CCOCC2)c1ccccc1 799877111 NHCVPFXYXRQLDK-CQSZACIVSA-N 272.392 3.674 30 20 CHED C[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)C(C)(C)C 793518769 OAJXXVRFHXPVCU-ZBFHGGJFSA-N 286.419 3.872 30 20 CHED C=CCN(C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C)C(C)C 797542080 LCVNVYKXAMLUIT-ZNMIVQPWSA-N 266.429 3.665 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1ccccc1SC 799900810 MNGZZQHQEYBOMH-LLVKDONJSA-N 280.462 3.510 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(OC)c(F)c1 595057202 BPARFFOJGMKTHK-LBPRGKRZSA-N 283.412 3.794 30 20 CHED C#C[C@@H](CCC)NC(=O)c1sc(C)nc1-c1ccccc1 791740359 DTKBAQZQIHZGRJ-AWEZNQCLSA-N 298.411 3.650 30 20 CHED C=CCN(C(=O)c1ccc(F)c(Cl)c1)C(C)C 768918411 MMYBFTSPZDEMRQ-UHFFFAOYSA-N 255.720 3.516 30 20 CHED N#Cc1cccc(Sc2nc3ccccc3nc2F)c1 1162717415 JWCZVKPWVLWHKR-UHFFFAOYSA-N 281.315 3.792 30 20 CHED N#Cc1c(F)cccc1N(Cc1ccccc1)CC(F)F 1639582541 JHYUSODXPNNYRV-UHFFFAOYSA-N 290.288 3.969 30 20 CHED C=C[C@H](COC)N[C@@H]1CCSc2ccc(Cl)cc21 1321241320 MVDPSGNCAUCKRS-DGCLKSJQSA-N 283.824 3.668 30 20 CHED C=CCCO[C@@H](C)c1nnc(-c2ccccc2C)o1 1328306618 NEMVDSXJAHTMPN-LBPRGKRZSA-N 258.321 3.699 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(-c2ccncc2)cc1 1321242719 YZTBQVPXWSMXQT-KSSFIOAISA-N 282.387 3.600 30 20 CHED C=C(Br)CN1CC(C)(C)c2ccccc21 1647944677 QXPDUUQZZOYQLZ-UHFFFAOYSA-N 266.182 3.693 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)cc1C#N)C1CCCC1 1532005883 UQWORIMTYGHQSC-JTQLQIEISA-N 276.767 3.976 30 20 CHED Cc1nccn1CCCSCCCC(C)(C)C#N 1325414785 WWZCQWCDXDXOKN-UHFFFAOYSA-N 265.426 3.645 30 20 CHED C=CCC[C@H]1CCCN1C(=O)/C=C/c1ccc(Cl)nc1 1337487822 GZKWFACXPJOEEM-PLWJUESGSA-N 290.794 3.705 30 20 CHED Cc1cc(OC(=O)/C=C\c2nccs2)c(C)c(C)c1C#N 1338942612 DPTOLQHPFFSFFL-PLNGDYQASA-N 298.367 3.559 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C2CCCC2)c(F)c1Cl 1333699318 UERKYPKJUYNXLZ-LBPRGKRZSA-N 294.757 3.600 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](c2ncc(C)s2)C2CC2)n1 1336425265 ZZFNBNHRQCORLC-AWEZNQCLSA-N 298.415 3.898 30 20 CHED C#Cc1ccc(N[C@H](C)c2nc(C(C)(C)C)cs2)nc1 1336516342 LLWPOMXREJGKFW-LLVKDONJSA-N 285.416 3.990 30 20 CHED Cc1ccsc1CCCC(=O)N[C@@H](C#N)C1CCCC1 1331979867 UDUYFPVAHCPGCM-AWEZNQCLSA-N 290.432 3.578 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(-c2ccccn2)s1 1339872918 SQOZMNVNFXQTQY-GFCCVEGCSA-N 286.404 3.535 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1ccc(Cl)cc1C#N 1262099340 IPULSMBUIRIYMC-MDZDMXLPSA-N 262.740 3.897 30 20 CHED C[C@H](C(=O)O[C@@H](CC#N)c1ccco1)C1CCCC1 1345982242 PGFMBHWBULHIQH-FZMZJTMJSA-N 261.321 3.604 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C[C@@H](C)C1CCCCC1 1346097109 XZIDUELBZCTFKC-HIFRSBDPSA-N 287.407 3.686 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC2(CCCC2)CC1 1194600216 UJLNBPYDNMKDPN-INIZCTEOSA-N 254.377 3.907 30 20 CHED C=CCn1c([C@H]2CC=CCC2)nnc1N1CC[C@H](C2CC2)C1 1352041089 NQULXTQEVCAHFD-HOTGVXAUSA-N 298.434 3.524 30 20 CHED C=C(Cl)Cn1c(N(C)C[C@H](C)CC)nnc1C(C)(C)C 1507875177 OSAHNVASQUWNGZ-LLVKDONJSA-N 298.862 3.810 30 20 CHED CCN(C(=O)c1ccc(CC#N)cc1)c1ccc(F)c(C)c1 1288594969 JJQRROQEWKQAKA-UHFFFAOYSA-N 296.345 3.867 30 20 CHED CN(C(=O)c1ccsc1C#N)c1nsc2ccccc12 1528235126 YFMGVAATIBDYMA-UHFFFAOYSA-N 299.380 3.506 30 20 CHED Cc1cccc(C(=O)N2CCCc3cc(C#N)ccc32)c1F 1526493449 DDAMCZDMDBGFQG-UHFFFAOYSA-N 294.329 3.599 30 20 CHED CC1(C)CCCC[C@H]1NCCc1ccc(C#N)cc1 1617391699 XHLSEOMXBRQWDF-MRXNPFEDSA-N 256.393 3.659 30 20 CHED C[C@H](CNc1nc(C#N)c(Cl)s1)c1ccccc1 1612233899 AOYWIMHSIYDNCT-SECBINFHSA-N 277.780 3.884 30 20 CHED CC(C)CCNc1c(Br)cccc1C#N 1654901657 PNMWVQFSQKCJLL-UHFFFAOYSA-N 267.170 3.779 30 20 CHED C[C@H]1CC(C)(C)CN1Cc1ccc(Cl)cc1C#N 1654747588 ZQRMNTZKGRZDBU-NSHDSACASA-N 262.784 3.832 30 20 CHED C[C@@H](CC(=O)Nc1cccc(C#N)c1)c1ccccc1 5456163 QSQVSROMKQSQSI-ZDUSSCGKSA-N 264.328 3.691 30 20 CHED C[C@@H]1Cc2ccccc2C(=O)/C1=C\c1ccc(C(=O)O)cc1 1776665935 LIPIKKCJBYBWMG-ZSAINHDTSA-N 292.334 3.843 30 20 CHED Cc1cc(C)cc(CC=NNc2ccc(CC(=O)O)cc2)c1 1776085380 ITNKGFLHVOSIIB-UHFFFAOYSA-N 296.370 3.571 30 20 CHED C=CCCCN(CC)Cc1cc(Cl)cc(C(=O)O)c1 1776174091 GHWLQGINWUUDFL-UHFFFAOYSA-N 281.783 3.826 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)c1ccc(C)cc1 1776061441 WKXIIJSOKDZSCK-UHFFFAOYSA-N 286.306 3.668 30 20 CHED O=C(O)/C=C/c1ccc(/C=C2/Cc3ccccc3C2=O)cc1 1777623283 AAAMXDHZTLPZOV-MDHDVOIXSA-N 290.318 3.607 30 20 CHED Cc1sc(NC(=O)Cc2ccc(F)cc2)c(C#N)c1C 5268496 HKUPRUBGOSDUND-UHFFFAOYSA-N 288.347 3.557 30 20 CHED Cc1cc(C)c(NCCOc2ccc(C#N)cc2)c(C)c1 11040822 MZYVMKXSOFEKLH-UHFFFAOYSA-N 280.371 3.974 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C2(Cc3ccccc3)CC2)C1 152151700 JTYALIDXWLDKCU-BEFAXECRSA-N 296.414 3.598 30 20 CHED CN(CCC#N)c1ccc(CNc2ccccc2F)cc1 157504709 BWWHZXGTBARTHT-UHFFFAOYSA-N 283.350 3.788 30 20 CHED CC#CCCN1CCC(n2c(CC)nc3ccccc32)CC1 157589757 GIMULKRAPHVMIL-UHFFFAOYSA-N 295.430 3.649 30 20 CHED CC[C@H](c1ccc(F)cc1F)N(CC)C[C@@H](C)C#N 155214402 JGYMUVOGXBVWRZ-XHDPSFHLSA-N 266.335 3.897 30 20 CHED COc1ccc(CN[C@H](C)c2cccc(C)c2)cc1C#N 157186970 JLENWSROCNSETB-CQSZACIVSA-N 280.371 3.726 30 20 CHED Cc1cccc(NC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1 155767670 GXXARXLEYWQOFN-CYBMUJFWSA-N 299.399 3.821 30 20 CHED CCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCCC1 154324778 JCTXAPAQCPBONI-UHFFFAOYSA-N 276.767 3.616 30 20 CHED CCN(CCCCC(C)(C)C#N)Cc1ccncc1 233443848 RBZGRLNVCAZAFD-UHFFFAOYSA-N 259.397 3.624 30 20 CHED COc1ccc(C#N)cc1CN[C@@H](C)C1CCCCC1 130304126 NAJZEASVAQGTDG-ZDUSSCGKSA-N 272.392 3.625 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)nc1 149368895 GUFAAOVZXICBCB-NSHDSACASA-N 271.751 3.804 30 20 CHED N#CCN(C(=O)c1cc(F)c(Cl)cc1F)C1CCCC1 152214941 PQJUMDGYXIUKSJ-UHFFFAOYSA-N 298.720 3.527 30 20 CHED C[C@@H](CC(=O)NCc1cccc(C#N)c1)CC(C)(C)C 48346691 ZGTKTFSMFSNRPD-ZDUSSCGKSA-N 272.392 3.637 30 20 CHED CCS[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 285593593 BOCBCKLFFBVRDH-DAXOMENPSA-N 274.433 3.883 30 20 CHED C[C@@H](CC(C)(C)C)NCc1ccc(OCC#N)cc1 295253702 UJOBJVNNORRADP-ZDUSSCGKSA-N 260.381 3.503 30 20 CHED CCCCCCCCCCCC(=O)N1CCC(O)CC1 59110573 MITFVBMIFRQVOU-UHFFFAOYSA-N 283.456 3.891 30 20 CHED CCc1csc(SCC2(C#N)CCCC2)n1 405153704 HWAFAUHBKLUSBI-UHFFFAOYSA-N 252.408 3.882 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1 320141823 BKVHXESSPAHVAG-FZMZJTMJSA-N 287.325 3.683 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(F)c1F 338608261 ZSTBJYIVWDYGML-UHFFFAOYSA-N 287.309 3.793 30 20 CHED CC[C@](C)(C#N)C(=O)NCC1CC(C)(C)CC(C)(C)C1 710862085 RLVXCXZVXHEAQS-QGZVFWFLSA-N 278.440 3.895 30 20 CHED Cc1c(Br)cncc1N[C@@H](C)CC(C)(C)C#N 722707917 CJRHNIGIVCOEEY-VIFPVBQESA-N 296.212 3.893 30 20 CHED N#CCOc1cccc(N[C@H]2CCCC23CCC3)c1 394742987 SUSYYGNZKRFSJT-HNNXBMFYSA-N 256.349 3.724 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C)cc1Cl 136183812 UCBFOCLDKLUDAH-CYBMUJFWSA-N 250.729 3.527 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OCC)cc1 104969953 AMJUGMFXRQJCLL-UHFFFAOYSA-N 262.353 3.515 30 20 CHED C=CCCCC(=O)NCC(C)(C)Cc1ccccc1 175702280 AOLCZQBFCFJVNV-UHFFFAOYSA-N 259.393 3.728 30 20 CHED CCN(C(=O)c1sccc1C#N)c1cc(C)cc(C)c1 52030561 VALQUOABOGLEME-UHFFFAOYSA-N 284.384 3.903 30 20 CHED CC1(C)C[C@H]1CNc1cc(Br)c(C#N)cc1F 310193208 AUBBQGKLOUNOBW-VIFPVBQESA-N 297.171 3.918 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccc2c(c1)oc1ccccc12 176377131 HWGPCGIRDOVZCA-NSHDSACASA-N 293.326 3.867 30 20 CHED COCc1ccc(/C=C2/Cc3ccccc3C2=O)cc1 173014474 NXVCVAWCBMAWKB-YBEGLDIGSA-N 264.324 3.655 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)/C=C/c2nc3ccccc3s2)C1 179864017 XTFMOEJLDDHSGN-IDDPWSFUSA-N 298.367 3.545 30 20 CHED C[C@H]1[C@H](C)CCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 178824087 WONCIMWNRZZADF-VYDXJSESSA-N 299.418 3.861 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1sc(C)nc1C 60678038 OHGBMCJWUFWCBS-UHFFFAOYSA-N 292.429 3.650 30 20 CHED C=CCCCC(=O)N1c2ccccc2N(C)CC[C@H]1C 175744064 XOTJBEDXCZURGF-CQSZACIVSA-N 272.392 3.604 30 20 CHED N#C[C@H](NC(=O)C1CCCCCC1)c1ccccc1Cl 172026772 KWBNAEUSFQDMIK-HNNXBMFYSA-N 290.794 3.991 30 20 CHED Cc1ccoc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 66396440 GZIVDIMFFMGMHW-HNNXBMFYSA-N 296.370 3.880 30 20 CHED Cc1cccc([C@H](C)NC(=O)C2(C#N)CCCC2)c1C 115288145 MJNFVZHELBAWAM-AWEZNQCLSA-N 270.376 3.565 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccccc1SCC 116110991 GCIRRCCYUNFFOB-LBPRGKRZSA-N 280.389 3.685 30 20 CHED C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 68857695 AHCVKQAVXIMUKB-LLVKDONJSA-N 291.782 3.866 30 20 CHED C=C[C@@H](COC)N[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 1261139212 IUDSYNZJALZZFH-SUMWQHHRSA-N 284.403 3.644 30 20 CHED N#Cc1csc(CNCCc2cc3ccccc3o2)c1 177704634 LCXNDYBGVBEKBL-UHFFFAOYSA-N 282.368 3.698 30 20 CHED CC(C)c1ccccc1OCCNc1cccc(C#N)n1 301285574 QPWPOVFIETXJCG-UHFFFAOYSA-N 281.359 3.568 30 20 CHED N#C[C@H](Sc1nnc(NC2CC2)s1)C1CCCCC1 115186277 ZTJXAZAQOKEQHT-NSHDSACASA-N 294.449 3.677 30 20 CHED N#Cc1ccc(CNc2ccnc3c(F)cccc23)cc1 302653849 HDDGWVUMDPUBTH-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CCc1ccc(CCC(=O)Nc2ccc(F)cc2C#N)cc1 177575150 OZZJSLPHRXMTIP-UHFFFAOYSA-N 296.345 3.831 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 1262825356 IXODARQDQDEYOI-INIZCTEOSA-N 297.314 3.626 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)NCc2cccc(C#N)c2)C1 173790440 MFMOGCNLQWNHIQ-SFHVURJKSA-N 299.418 3.670 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2ccc(C#N)nc2)C1 301520273 NBMHCAXDQMJVRF-SFHVURJKSA-N 277.371 3.511 30 20 CHED C=CCC[C@H](NCCCc1nc2ccccc2[nH]1)C1CC1 120542773 DMYTWBXATOSEBO-HNNXBMFYSA-N 283.419 3.830 30 20 CHED N#Cc1csc(CNc2ccc(-c3ncco3)cc2)c1 122216698 YKCDQCJXUDJJOG-UHFFFAOYSA-N 281.340 3.887 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@@H](C)C[C@@H](C)C2)c1 302156374 WGGKNHQAAZWPRT-CHWSQXEVSA-N 270.376 3.633 30 20 CHED CCS[C@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 120782743 HMFKUQJJNNRIOO-HNNXBMFYSA-N 292.423 3.805 30 20 CHED C#CCCCCC(=O)Nc1cccc2c1CN(CCC)C2 180006859 QOKZLDYSKSTYQH-UHFFFAOYSA-N 284.403 3.544 30 20 CHED CCCCN(C(=O)c1ccc(C#N)c(O)c1)c1ccccc1 188619985 CEFQKEQAYLPMJM-UHFFFAOYSA-N 294.354 3.711 30 20 CHED C[C@H](NCCCCC#N)c1ccc(OCC2CC2)c(F)c1 181582022 RCTUZBGOTFPSCY-ZDUSSCGKSA-N 290.382 3.959 30 20 CHED C#CCCCCC(=O)N(Cc1ccc(F)cc1)CC1CC1 120155720 RZYSAAXVBKXGIY-UHFFFAOYSA-N 287.378 3.758 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1ccc(C#N)cc1F 120147287 KFIZQANKRXMLSN-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED N#CCCCOC(=O)CCCc1cccc(C(F)(F)F)c1 185788131 GBWGCHLKLCCVBV-UHFFFAOYSA-N 299.292 3.875 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)s2)c(F)c1 70941791 QHMRLTWXTQNTBB-UHFFFAOYSA-N 280.755 3.702 30 20 CHED CC(C)[C@H](Nc1ncc(C#N)cc1F)c1ccccc1 413035582 OVJQCPIVNBFDHP-HNNXBMFYSA-N 269.323 3.902 30 20 CHED CC(C)c1cnc(CN(CCC#N)Cc2ccco2)s1 182947289 VADPQXQDZFOEEW-UHFFFAOYSA-N 289.404 3.775 30 20 CHED CCC(C)(C)CC(=O)N[C@@](C)(C#N)CCc1ccccc1 73084352 WKRBUKHSGSUTSF-GOSISDBHSA-N 286.419 3.844 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2ccc(Cl)cc2C1 188552726 GUNRWPGYQIGGCJ-MRXNPFEDSA-N 277.795 3.827 30 20 CHED N#CC1(CCN2C[C@H](O)C[C@H]2c2ccccc2)CCCCC1 411925840 OEWABVCOVKCASS-MSOLQXFVSA-N 298.430 3.658 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C1 488472147 XDGSBBJPGRNMEH-SJORKVTESA-N 288.460 3.973 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(F)cc1F 121296404 HCNVPAOVNLEDCC-NSHDSACASA-N 279.330 3.910 30 20 CHED Cc1ccc(CNC(=O)NCCCCC#N)c2ccccc12 413252887 SWBYZEZMKRCJJH-UHFFFAOYSA-N 295.386 3.641 30 20 CHED C[C@@H](Sc1ccc([N+](=O)[O-])cn1)c1cccc(C#N)c1 189864739 UEYPIFGJMYIVLP-SNVBAGLBSA-N 285.328 3.715 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2cccs2)n1C1CC1 127304869 BWTQRIJDAUVEHS-JTQLQIEISA-N 290.417 3.736 30 20 CHED COc1ccccc1[C@H]1CCN(c2ccc(F)cc2C#N)C1 78295879 ZYGVLCFSFPBNTL-ZDUSSCGKSA-N 296.345 3.700 30 20 CHED CC#CCCCC(=O)N(CC)[C@@H](C)c1cccc(OC)c1 185227861 CANITUWUQAGTPN-HNNXBMFYSA-N 287.403 3.798 30 20 CHED C#C[C@@H](C)NC(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 186044851 BWIPSSGZXUBIBW-KGLIPLIRSA-N 298.386 3.937 30 20 CHED Cc1cc(Cl)c(NC(=O)NCC2(C#N)CCC2)cc1C 417193694 LRNFELJBXGVOGW-UHFFFAOYSA-N 291.782 3.772 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl 410588539 JSIXMMCOJUQNDL-NEPJUHHUSA-N 276.767 3.976 30 20 CHED CCn1cc(N=C(O)N[C@H]2CCCCC23CCCC3)cn1 329634054 WYFFAPBOQXGCEC-AWEZNQCLSA-N 290.411 3.541 30 20 CHED Cc1ccc(F)c(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 43350628 YBPRNCTWDBZXPR-UHFFFAOYSA-N 297.333 3.670 30 20 CHED Cc1nsc(Nc2cccc(N3CCCC3)c2)c1C#N 329258409 AELYQRUCWSHEKO-UHFFFAOYSA-N 284.388 3.667 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)CCCSCC#N 173869332 HWXRTZOZYAXXAI-LBPRGKRZSA-N 282.840 3.980 30 20 CHED CC[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)[C@@H]1CC1(C)C 416278489 RGVZIUCCPDENPS-ULQDDVLXSA-N 298.430 3.700 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2CC[C@H](C)C2)c1C1CC1 328949239 WLLVOCSBJFBSSJ-RYUDHWBXSA-N 290.411 3.619 30 20 CHED CC1CCC(N(C)c2snc(Cl)c2C#N)CC1 47405316 NNYYGGCFMWBJFR-UHFFFAOYSA-N 269.801 3.683 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@H](C(C)(C)C)C1 508845454 BRXPLOKJAFOPGO-AWEZNQCLSA-N 290.455 3.850 30 20 CHED CC(C)c1ccc([C@H](NC(=O)NCCC#N)C(C)C)cc1 426415547 DBORRLQOQSVHRO-MRXNPFEDSA-N 287.407 3.720 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)C(C#N)(CC)CC 527856228 XTPWMTMRDDDNEW-UHFFFAOYSA-N 272.392 3.674 30 20 CHED Cc1ccc(NC(=O)c2cccc(CC#N)c2)c(Cl)c1 42196772 VATFNVWJESPJTM-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(Cl)cc2F)cc1 193951017 YYDLJFHCUNYAPO-UHFFFAOYSA-N 275.666 3.570 30 20 CHED C#CCCCC(=O)N1c2ccccc2S[C@@H](C)[C@@H]1C 192374839 YIIZUFGHQMXDFV-STQMWFEESA-N 273.401 3.706 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1 425652514 JNMQCGFDQQPMQQ-GHMZBOCLSA-N 291.782 3.864 30 20 CHED N#Cc1cccc(CN2CC[C@@H]2c2cccc(F)c2)c1 610505799 XEECTGUXBALBID-QGZVFWFLSA-N 266.319 3.644 30 20 CHED CCOc1ccc(OC)cc1NCc1cc(C#N)cs1 130136506 ULBDKNPTEJFWPY-UHFFFAOYSA-N 288.372 3.639 30 20 CHED C=CCN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 519344357 IBLMQQZFWAKDHU-ZDUSSCGKSA-N 290.165 3.692 30 20 CHED C=CCN(CCOC)C(=O)[C@H](C)c1ccc2ccccc2c1 191981318 PPYYBIJMNDZZEG-OAHLLOKOSA-N 297.398 3.604 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1ccc(CC#N)cc1 84521195 OXMWBSHRTPHPCX-UHFFFAOYSA-N 258.365 3.763 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCOc2c(Cl)cccc21 190985710 ZGWRHXLSCSJBPO-BBRMVZONSA-N 293.794 3.882 30 20 CHED CC(C)(CC#N)CSc1n[nH]c(-c2ccccc2F)n1 519000576 FNZUAHQRLFELMS-UHFFFAOYSA-N 290.367 3.643 30 20 CHED C[C@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CC1 190970472 HDBRMHGUZBCMKW-YOEHRIQHSA-N 299.418 3.668 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2CCC3(CCC3)C2)c1C 330127770 NCTWDVVBDQUDEK-LBPRGKRZSA-N 290.411 3.584 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](COc2ccccc2)C1 424754861 DEVPGBYYXGXLJN-OAHLLOKOSA-N 287.403 3.516 30 20 CHED C=CCOCCCC(=O)Nc1cc(C(C)C)c(O)cc1C 88466464 WLDFONCDLBZEMV-UHFFFAOYSA-N 291.391 3.745 30 20 CHED CC(C)(C#N)Cc1nc([C@@H]2CCCC(C)(C)C2)no1 336002046 QYUHNXQDXZASFN-LLVKDONJSA-N 261.369 3.846 30 20 CHED Cc1cc(Cl)cc(C(=O)[C@H](C#N)c2nc(C)cs2)c1 336298392 CKLSVQLIRJZECD-LBPRGKRZSA-N 290.775 3.903 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccnc2ccccc12 195055555 LTJIITNRDQJBGS-UHFFFAOYSA-N 282.343 3.722 30 20 CHED N#CCCCN1CCC(c2nc3c(s2)CCCC3)CC1 425506455 LJWDVFGPWHGHBV-UHFFFAOYSA-N 289.448 3.505 30 20 CHED Cc1ccc(C(=O)N(C)C)cc1NC1CCC(C)(C#N)CC1 336206182 LGDSFWYMTRGDBW-UHFFFAOYSA-N 299.418 3.581 30 20 CHED Cc1ccc(C)c(NC(=O)Nc2ccc(F)cc2C#N)c1 192471300 UJPNMQONGUSYFV-UHFFFAOYSA-N 283.306 3.958 30 20 CHED CC1(C)CN(c2ccc(C(F)(F)F)c(C#N)n2)[C@H]1C1CC1 515023951 PLBRYFKUZKKMKK-ZDUSSCGKSA-N 295.308 3.597 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)Cc1ccc(C)o1 337918511 WQZRQJCZFHAELT-GFCCVEGCSA-N 288.395 3.515 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2c2ccccc2)s1 335698987 BKSIVQWARHMTDE-OAHLLOKOSA-N 254.358 3.567 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc2ccc(F)cc2s1 233293224 DIQRSOIUDMDTQG-LBPRGKRZSA-N 275.348 3.572 30 20 CHED CC(C)C[C@@H](C)n1nccc1N/C(O)=N/C(C)(C)C 330866323 CJIMXZLITWOOQA-LLVKDONJSA-N 266.389 3.615 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)[C@H](C#N)CCc1ccccc1 331350734 NXCDECHUUGCJRQ-INMHGKMJSA-N 298.430 3.700 30 20 CHED CCOC(=O)c1ccc(OCCCCC(C)(C)C#N)cc1 233753027 URFGKXRSYLAVGK-UHFFFAOYSA-N 289.375 3.962 30 20 CHED Cc1oc2ccc(NC(=O)c3cnccc3C#N)cc2c1C 345385514 IOXUDOXVVMQIDZ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C=CCCC1(c2nc(-c3coc(CCC)n3)no2)CC1 347467617 LTKMJGRDSYTXBI-UHFFFAOYSA-N 273.336 3.675 30 20 CHED CC(C)N(C)c1cccc(NC(=O)C2(C#N)CCCCC2)c1 521870630 HIPCSDNHTZJXSD-UHFFFAOYSA-N 299.418 3.944 30 20 CHED C=C(CNC(=O)c1ccc(C(C)C)nc1)c1ccccc1 345766386 ASOWMWFFILVYPW-UHFFFAOYSA-N 280.371 3.648 30 20 CHED C=CCCC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C 346426764 MNZJRZGYKHOMNE-UHFFFAOYSA-N 289.766 3.739 30 20 CHED CC[C@H](NC(=O)C(C#N)(CC)CC)c1ccc(OC)cc1 602225768 CTSNODNNOXJUHA-HNNXBMFYSA-N 288.391 3.592 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(OCC)c(Cl)c1 341425676 PWQJEYADEMDWRZ-LLVKDONJSA-N 296.798 3.503 30 20 CHED Cc1ncc(CON=Cc2ccccc2OC(C)C)s1 255412238 CMPPFROYCOZZRE-UHFFFAOYSA-N 290.388 3.789 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)c(Br)c1 522660585 DEFMLABGTHVOMX-SNVBAGLBSA-N 297.196 3.844 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CC=CC[C@H]2C)s1 340868409 JORIUCNBGFBCEX-MFKMUULPSA-N 274.389 3.723 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1nnn(-c2ccccc2)c1C 343511157 SUKBYJPXFXBMEZ-DZGCQCFKSA-N 284.407 3.581 30 20 CHED CC(C)COc1ccc(CCN[C@H]2CC[C@@H](C#N)C2)cc1 442774384 AHLWMNLFFWWAOJ-SJORKVTESA-N 286.419 3.546 30 20 CHED C[C@@H](CCC#N)CNc1cccc(Cl)c1N(C)C 602599077 CIOLDQFCRRAFRN-NSHDSACASA-N 265.788 3.758 30 20 CHED C=CCCC(=O)N(C)c1nc2ccc(Cl)cc2s1 443857809 IZTADABSRFQXHL-UHFFFAOYSA-N 280.780 3.879 30 20 CHED C=CCN(CC=C)C(=O)CSCc1ccc(Cl)cc1 255925774 ZGTUKYAIFXOYBX-UHFFFAOYSA-N 295.835 3.774 30 20 CHED CC1(C)CCCN(CCOc2ccccc2Cl)[C@H]1C#N 444732733 WLHZMMLWNCURBK-HNNXBMFYSA-N 292.810 3.733 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@H](C)CCC[C@@H]1C 607553682 CQNLNFAYPAYEMA-CABCVRRESA-N 287.403 3.902 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1(c2ccccc2F)CC1 538369811 NWDPESZQSCEVDH-CYBMUJFWSA-N 290.382 3.859 30 20 CHED C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC(C)(C)C1 354619758 VOXQJMHUZLMONM-NSHDSACASA-N 290.794 3.720 30 20 CHED C=CCCC1(C(=O)NCCCCCN2CCCCC2)CC1 355983437 ITVHLZWPCNYXCU-UHFFFAOYSA-N 292.467 3.505 30 20 CHED CC(C)(C)OCCCCN(CCC#N)Cc1ccco1 354839672 QGHSCNMAUDQKAD-UHFFFAOYSA-N 278.396 3.591 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(O)cc1C)c1ccccc1 534719263 ICSXZFYTARSAAP-AWEZNQCLSA-N 281.355 3.999 30 20 CHED C=C(CC)CN1CCC(OCc2ccccc2OC)CC1 358767940 JTYHIDMAUUWGCH-UHFFFAOYSA-N 289.419 3.642 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1ccc(CCC)cc1 537600437 ZJAZNPLPYVBYGL-CYBMUJFWSA-N 277.433 3.563 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 613372779 WUXWTVVHKREJNN-BBRMVZONSA-N 298.386 3.744 30 20 CHED C=CCOc1ccc(C(=O)N(CC)[C@@H](C)CC)cc1 616983959 YRTTZZDXYAUGPA-ZDUSSCGKSA-N 261.365 3.512 30 20 CHED N#CCCCOc1cccc(CN[C@@H]2CCC(F)(F)C2)c1 610787846 YWPUAWPQUJGDAX-CQSZACIVSA-N 294.345 3.647 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 610356058 ICLGDKZVSHAGQQ-WMLDXEAASA-N 299.418 3.839 30 20 CHED Cc1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 363285505 LXFFODMECXWJPW-SJORKVTESA-N 297.427 3.723 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(OCC)cc1 537240041 WUMDTYAYNMHUTO-ZDUSSCGKSA-N 261.365 3.560 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 458376550 DWJCDPHPWCKDMP-CVEARBPZSA-N 299.418 3.562 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(OCC#N)cc1 264540346 HFPSEQSYKVGLJI-YOEHRIQHSA-N 272.392 3.599 30 20 CHED CCC[C@@H](CC)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455124003 AAUBXDJEVCIEHW-MRXNPFEDSA-N 286.419 3.822 30 20 CHED CCC1(NC(=O)c2cn(CCCC#N)c3ccccc23)CC1 452464508 SQIUWJCZVBFYCU-UHFFFAOYSA-N 295.386 3.617 30 20 CHED C=CCC1(CNC(=O)N[C@H](C)c2cccnc2)CCCC1 457491216 AYLFDURZJKIUNB-CQSZACIVSA-N 287.407 3.578 30 20 CHED N#CCc1cccc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1 456726415 ATDUXYSQRRXVNT-SFHVURJKSA-N 290.366 3.885 30 20 CHED C=CC(C)(C)c1nc(-c2cc(OC(F)F)ccc2F)no1 453178092 USKGNAXIUQHDIJ-UHFFFAOYSA-N 298.264 3.941 30 20 CHED COc1ccccc1[C@@H](C)Sc1ncccc1C#N 362265286 GCRPQJFTHZPMKN-LLVKDONJSA-N 270.357 3.815 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(C)cc(F)cc1C 613273029 QMNIANWVGMKFQG-ZDUSSCGKSA-N 263.356 3.917 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc([C@@]2(C#N)C[C@H]2C)n1 453191527 YTHHBNXYMBOUIY-MCYUEQNJSA-N 259.353 3.555 30 20 CHED CC(C)(C#N)CCCN[C@H](C(C)(C)C)C(F)(F)F 545922296 HDGOFPABWGBTMC-SNVBAGLBSA-N 264.335 3.883 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 454894259 NYCMCXUFMITVQH-GOEBONIOSA-N 290.382 3.727 30 20 CHED Cc1c(C#N)c(NC(=O)[C@@H]2C[C@@H]2C)n(-c2ccccc2)c1C 611466853 WIJJDBPVDURSKB-XHDPSFHLSA-N 293.370 3.560 30 20 CHED C=CCSc1ccccc1C(=O)N=c1cc[nH]cc1CC 362760833 TYIJKOGQVCOIQU-UHFFFAOYSA-N 298.411 3.596 30 20 CHED C#CC[C@@H](NCCCCCn1cc(C)cn1)c1ccccc1 271681584 IKPKDFYYBGCKDT-LJQANCHMSA-N 295.430 3.716 30 20 CHED C=C(C)CCNC(=O)CCCc1ncc(-c2ccccc2)o1 452727493 YMYGWBDYPDYRJQ-UHFFFAOYSA-N 298.386 3.747 30 20 CHED COc1cc(C#N)ccc1NC(=O)Nc1cc(C)cc(C)c1 547417031 HKZDLISIYFMETJ-UHFFFAOYSA-N 295.342 3.828 30 20 CHED CC(C)n1ncc2c1[C@H](Nc1ccc(C#N)cc1)CCC2 368845278 ONKPPXSOQGHSRL-MRXNPFEDSA-N 280.375 3.825 30 20 CHED Cc1cnc(CN[C@H](CCC#N)c2ccccc2)s1 271799850 PBXPMCCQWKVZMS-CQSZACIVSA-N 271.389 3.586 30 20 CHED C=CCCC(C)(C)NC(=O)CNc1ccccc1Cl 620861703 WJGRDQVCLMKVCS-UHFFFAOYSA-N 280.799 3.613 30 20 CHED C#CC[C@@H](NC(=O)N(CC)C1CCCC1)c1ccccc1 270216455 GWMGBAUNOAIPJW-QGZVFWFLSA-N 284.403 3.725 30 20 CHED C=C[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 465101395 GQQTVCVXBDXOEW-SECBINFHSA-N 272.175 3.617 30 20 CHED COc1ccc([C@@H](NCCC(C)(C)C#N)C2CC2)cc1 271992947 FGPMSQYMIYQPCP-INIZCTEOSA-N 272.392 3.676 30 20 CHED C=CC[C@H](CC)NC(=O)c1occc1COc1ccccc1 466527265 DSXQKLLFUGWCJU-HNNXBMFYSA-N 299.370 3.943 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 464758906 SWNDIYFWCJHGQY-SECBINFHSA-N 287.190 3.709 30 20 CHED C[C@H](C(=O)NC(C)(C)c1ccccc1)c1cccc(C#N)c1 463676553 JUMSFOUTDLXAKJ-AWEZNQCLSA-N 292.382 3.713 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)C1CCC(C)(C)CC1 280637259 MTALSQQJBCCWGO-UHFFFAOYSA-N 274.364 3.501 30 20 CHED C[C@@H](CF)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 286926711 HTXCJNBVAYHKTJ-QWRGUYRKSA-N 295.383 3.560 30 20 CHED C=CC1CCN(Cc2ccc(C)cc2-c2cnn(C)c2)CC1 555336366 UMKFZAIHSSFSDW-UHFFFAOYSA-N 295.430 3.794 30 20 CHED CC1(C)C[C@@H](N=c2[nH]ccc(C#N)c2Cl)c2ccccc21 557640623 RPGKTGZZRSNKCM-CQSZACIVSA-N 297.789 3.863 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 466780899 XUICYPJRZAIPCF-SJORKVTESA-N 286.419 3.615 30 20 CHED N#CCCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 285241258 BSSORSTZTXUFER-CYBMUJFWSA-N 282.309 3.798 30 20 CHED CC(C)c1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)[nH]n1 280131247 XVCSQJVGBSMXMI-UHFFFAOYSA-N 296.374 3.587 30 20 CHED Cc1nn(C(C)C)cc1CNc1ccccc1O[C@H](C)C#N 281327127 KZTXIPMLGKMGMK-CYBMUJFWSA-N 298.390 3.675 30 20 CHED C=CCCCCNC(=O)c1oc2ccccc2c1C 471672847 ZEUBCHUGZRDWBA-UHFFFAOYSA-N 257.333 3.827 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2c(Cl)cccc2C1 292630095 CPUWYCHOZWSOCC-UHFFFAOYSA-N 277.795 3.827 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H]1C(F)(F)F)c1ccccc1 637561311 FQOMEQXQRKKHJW-OCCSQVGLSA-N 297.320 3.900 30 20 CHED N#Cc1cccc(/C=C/c2nc(CC3CCCC3)no2)c1 551511002 SSFOXTAQYPJUIZ-CMDGGOBGSA-N 279.343 3.844 30 20 CHED O=C(O)c1cccc(NN=C2CCC[C@H]2CCCF)c1 800803596 IZZFDRYEADPURD-NSHDSACASA-N 278.327 3.703 30 20 CHED C=CCN(CCc1ccco1)C(=O)CC[C@H](C)CC 556969029 PFTOEXWEZJQDES-CQSZACIVSA-N 263.381 3.663 30 20 CHED C[C@@H](Cc1ccc(O)cc1)Nc1ccccc1O[C@H](C)C#N 293676470 QZNOTNVRYUOHSW-UONOGXRCSA-N 296.370 3.726 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1COc2ccccc2[C@@H]1O 808730599 IAFFEVYNKVOXKU-LESCRADOSA-N 289.419 3.596 30 20 CHED Oc1ccc(Cl)cc1/C=N\C[C@@H]1CCCSC1 806551385 KPOSNCQMWWNLKH-SOOGHKCXSA-N 269.797 3.608 30 20 CHED N#C[C@@H](C(=O)c1ccoc1C1CC1)c1nc(C2CC2)cs1 647379340 AKIKDDMMOVIQCO-LBPRGKRZSA-N 298.367 3.981 30 20 CHED C=C(C)CNC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 560138879 DDBPVKBACDCXBD-ZDUSSCGKSA-N 299.336 3.966 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1)C(C)(C)C 808316056 PDQDVBGENQKQJD-CVEARBPZSA-N 284.403 3.581 30 20 CHED COc1cccc(/C=N/[C@H](C)c2ccsc2)c1O 800790988 XZQVEEPDXQAWNR-XBLUXWHVSA-N 261.346 3.642 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 478444187 FWHIBHNNXOQVID-KRWDZBQOSA-N 298.430 3.776 30 20 CHED Cc1ccc2oc(SCC(C)(C)CC#N)nc2n1 568270666 NDBIRDLJRIYLDR-UHFFFAOYSA-N 261.350 3.563 30 20 CHED C#CCN(C)C(=O)Nc1cc(F)ccc1Oc1ccccc1 801623760 AYMJIILMPZMKIO-UHFFFAOYSA-N 298.317 3.715 30 20 CHED C=CCCCC(=O)N[C@H]1c2ccccc2CC12CCOCC2 292000378 VHCBZCRYKRXSEY-SFHVURJKSA-N 299.414 3.553 30 20 CHED C#CCCCNC(=O)/C=C\c1cc(Cl)cc(Cl)c1 700593092 KBZLGRKYIHTGMT-WAYWQWQTSA-N 282.170 3.536 30 20 CHED C=C(Br)CN1CC[C@H](C2CCCCC2)C1 708837695 PRBPASNSHRPCHQ-ZDUSSCGKSA-N 272.230 3.797 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@H](c1ccccc1)N(C)C 471600052 ZAZCZJDFILCRDH-ZMSDIMECSA-N 260.425 3.622 30 20 CHED CN(CCCc1ccccc1)C(=O)[C@]1(C#N)CC12CCCC2 294283993 BEJMNTVMFLTNLE-LJQANCHMSA-N 296.414 3.552 30 20 CHED C=CCCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 471670622 UEUDGCNMDLVVTO-NEPJUHHUSA-N 277.330 3.828 30 20 CHED CC1(C#N)CN(C(=O)C2(C3CCCCC3)CCCCC2)C1 482630005 MDIUTDUCLKQYHZ-UHFFFAOYSA-N 288.435 3.889 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(C)nc2ccccc12 815311865 BNQLIFYHYYJMFY-UHFFFAOYSA-N 291.297 3.798 30 20 CHED COc1ccc(-c2ccncc2)cc1C=NOCC1CC1 814243101 FQIKKYFFMQHNDO-UHFFFAOYSA-N 282.343 3.518 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCCC[C@@H]1CCC 815371027 FWYMQIQENJKFGX-NWDGAFQWSA-N 259.340 3.673 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@@H]1C 811926285 AEDGWMRJEOCRHI-AWEZNQCLSA-N 252.402 3.707 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NOCC(F)F 814903867 FMXBTAFPYBRFIJ-GXTWGEPZSA-N 283.318 3.607 30 20 CHED C=CCCc1noc(C2CC(c3ccc(F)cc3)C2)n1 651359642 GJROENGFCRMYHG-UHFFFAOYSA-N 272.323 3.989 30 20 CHED C[C@@H]1CCC(=NNc2ncnc3sc4c(c23)CCC4)C1 814726671 ZYTZZOXSOMIPCO-SECBINFHSA-N 286.404 3.768 30 20 CHED C=CC[C@@H]1N(C(=O)CCc2cccnc2)CCCC1(C)C 574496852 OQFSBSRKHKJGRB-INIZCTEOSA-N 286.419 3.608 30 20 CHED C=CCCCCOC(=O)[C@](C)(OC)c1ccccc1F 811010722 GHTFIBRRMYOWFC-MRXNPFEDSA-N 280.339 3.587 30 20 CHED Cc1cccc(C(C)C)c1NN=C1C[C@H](C)N(C)C1 812232321 DGVVSDBGADILEY-ZDUSSCGKSA-N 259.397 3.610 30 20 CHED C=C[C@H]1CCCCN1C(=O)COc1c(C)cc(C)cc1C 488815233 ANJCXWPGNDNGEI-INIZCTEOSA-N 287.403 3.558 30 20 CHED C=CCSc1ccccc1C(=O)N(C)[C@H]1CC1(C)C 489403239 GSPSAWZMKKJBFC-AWEZNQCLSA-N 275.417 3.835 30 20 CHED CCOc1ccc(C(C)=NN[C@H](C)c2ccncc2)cc1 819814829 FRAFHNMSUSBXFN-CQSZACIVSA-N 283.375 3.555 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1C(F)F 819725895 LBOPGXGPVHUOHL-UHFFFAOYSA-N 251.276 3.612 30 20 CHED CC(=NNc1cccc(C)c1)c1sc(C)nc1C 726737325 DXVSKQICGAACQB-UHFFFAOYSA-N 259.378 3.904 30 20 CHED N#CCC1(COC(=O)/C(F)=C/C2CCCCC2)CC1 815964302 DKYVWEONJZADLK-RAXLEYEMSA-N 265.328 3.657 30 20 CHED Cc1cc(C)c(C=NNc2nnc(-c3ccccc3)s2)[nH]1 814947595 ZRZATQQGSHDENF-UHFFFAOYSA-N 297.387 3.596 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 481046530 YPBXEAHNAIXING-LLVKDONJSA-N 277.799 3.869 30 20 CHED CC(C)[C@@H]1N(c2ncc(C#N)cc2Cl)CC12CCC2 488485666 KHZZQWBOLMZYGL-ZDUSSCGKSA-N 275.783 3.622 30 20 CHED C=C(C)CN(CC)C(=O)c1c2c(nc3ccccc13)CCC2 656502077 GBVULMSXYYGCKK-UHFFFAOYSA-N 294.398 3.762 30 20 CHED N#CCC[C@H](C#N)CN[C@@H]1CCCC[C@H]1Cc1ccccc1 577215603 BVELDHOKVLHIOV-CEXWTWQISA-N 295.430 3.821 30 20 CHED COc1ccc(Oc2ccc(CCNCCC#N)cc2)cc1 574445261 WOYKEEYGKKFAPU-UHFFFAOYSA-N 296.370 3.533 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C2CC2)nn1C 826795985 GAZLEKCJFMRUMR-CJNGLKHVSA-N 273.424 3.522 30 20 CHED C=CCC(C)(C)C(=O)NCC1CCC(C)(C)CC1 491253153 DVCYFEPNXUNKBQ-UHFFFAOYSA-N 251.414 3.921 30 20 CHED CCOC(=O)[C@H](CC)S[C@H](C#N)Cc1ccc(C)cc1 570041704 FHXGWQDSRBMERB-GJZGRUSLSA-N 291.416 3.505 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@H]2C[C@H]3CC[C@H]2C3)cc1 728714849 AZCFZRVGMCSLGP-QSPRXWTASA-N 284.403 3.503 30 20 CHED C=CCC1(N[C@@H](C)CCC=C(C)C)CCOCC1 668552622 PSJDNGDDFHAVOT-HNNXBMFYSA-N 251.414 3.836 30 20 CHED C#CC[C@@H](NC(=O)[C@@H]1CCCCC1(F)F)c1ccccc1 827396676 VMFASBFDLGNNRF-LSDHHAIUSA-N 291.341 3.693 30 20 CHED Cc1nsc(NCCCCc2ccccc2)c1C#N 587068408 IIVMYPJPSKBUBX-UHFFFAOYSA-N 271.389 3.758 30 20 CHED C#CCN(C(=O)c1ccc(C2CC2)nc1C)C1CCCCC1 822833353 IVASRCNIVMZUQK-UHFFFAOYSA-N 296.414 3.676 30 20 CHED N#CC1(CN[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 580691336 BCLYUHOVSQPYHH-HUUCEWRRSA-N 274.795 3.869 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2ccc(Cl)nc2s1 823720181 ZYLZNCRCSKGCLE-ZDUSSCGKSA-N 295.795 3.886 30 20 CHED CC1(C)CCCN(CCCCC2CCOCC2)[C@H]1C#N 499730080 BGESHGOLSDZQQZ-INIZCTEOSA-N 278.440 3.597 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H](C)CCC(C)C 498132026 PYBNDIKJCYKVKU-HNNXBMFYSA-N 292.423 3.844 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CCCC2CC2)cc1 589797423 UMYPFXNUEZUPQB-INIZCTEOSA-N 270.376 3.510 30 20 CHED Cc1ccc(CNc2cc(C)nc(C#N)c2)c(OC(C)C)c1 587995394 CGMXTRPYGRMTHA-UHFFFAOYSA-N 295.386 3.969 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C2(c3ccccc3)CCC2)C1 839060338 ZOZCHIRKHYVDRX-GDBMZVCRSA-N 283.371 3.734 30 20 CHED CCCNc1ccc(C#N)cc1NCc1oc(C)nc1C 905107029 WIELMFRJJDXKFV-UHFFFAOYSA-N 284.363 3.597 30 20 CHED CC(C)(C=NOC/C=C\Cl)Oc1ccccc1 834978400 FQOVHJBQESIZIU-DCQHWMSFSA-N 253.729 3.599 30 20 CHED C/C(=C\C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 839051243 MXNUGOXQGDOIGC-KLAHQYIXSA-N 287.334 3.855 30 20 CHED C=CCC1(C(=O)OCC[C@@H]2CCCC2=O)CCCCC1 838153704 KMXIATNXJYVGPG-AWEZNQCLSA-N 278.392 3.816 30 20 CHED Cc1[nH]c(=N[C@@H](C)c2ccccc2OC(C)C)ccc1C#N 584755918 FLMNGSDVKJMTDJ-AWEZNQCLSA-N 295.386 3.644 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cnc(Cl)c(Cl)c2)C1 839055506 JUEOQFFOSKDMQQ-WCBMZHEXSA-N 299.157 3.628 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)OCc1cccc(C#N)c1 738762620 SOXOQLFOUJNRNC-CYBMUJFWSA-N 297.329 3.619 30 20 CHED C=C[C@H](CC)OC(=O)c1ccsc1Br 835274866 YISXLAFIZJQZIR-SSDOTTSWSA-N 275.167 3.632 30 20 CHED C=CCN(CC1CCCCC1)C[C@H](O)c1ccc(F)cc1 732667984 VLVQPDHAYSAEMZ-SFHVURJKSA-N 291.410 3.927 30 20 CHED CCOc1ccc(C=NNc2cccc(C)c2)cc1 916256139 MPSBRZLHDQDCRK-UHFFFAOYSA-N 254.333 3.840 30 20 CHED CC(=NNc1cnnc2ccccc12)C1CCCC1 733748100 HCUQHMVGZHAFRZ-UHFFFAOYSA-N 254.337 3.608 30 20 CHED C[C@@H](CCCc1cccnc1)OC(=O)c1ccc(C#N)cc1 835926351 FAMFFICQPQNQJK-AWEZNQCLSA-N 294.354 3.521 30 20 CHED C=CCCCOC(=O)Cc1scnc1-c1ccccc1 835198195 WEWCEQRPYGAAGE-UHFFFAOYSA-N 287.384 3.862 30 20 CHED CS[C@H](C)CCOC(=O)c1ccc(C#N)c(Cl)c1 835664675 BQGFWUOZCCFKTG-SECBINFHSA-N 283.780 3.510 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)n1 835038297 VHOOAZGCZWRUSW-YRRQLQLVSA-N 276.405 3.700 30 20 CHED Cc1ccc(NC(=S)NN=Cc2occc2C)cc1C 743422110 RBIZOWMFAPDMGI-UHFFFAOYSA-N 287.388 3.525 30 20 CHED CCCCCCCSc1nnc(-c2cccs2)n1N 915791401 FCUXIMJFUWHCOW-UHFFFAOYSA-N 296.465 3.783 30 20 CHED Cc1cc(CSc2ccc(C#N)c(C)c2)nc(C)n1 594913549 PBFCLZKYFORODW-UHFFFAOYSA-N 269.373 3.566 30 20 CHED COc1ccc2ccc(OCC3(CC#N)CC3)cc2c1 596241707 XEZCUQMUGHFEGO-UHFFFAOYSA-N 267.328 3.921 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1ccc2c(c1)CCC2 837739941 GYEJFCVOJJLULT-NSHDSACASA-N 281.311 3.558 30 20 CHED Cc1cc(C)c(/C=C/C(=O)OCC2(CC#N)CC2)cc1C 744277282 GMJXIMSBXNJZDM-SNAWJCMRSA-N 283.371 3.862 30 20 CHED CCOC(=O)c1ccc(C=NNc2cc(C)ccc2C)o1 748243602 BPNSDPYHQNPTDK-UHFFFAOYSA-N 286.331 3.519 30 20 CHED CCc1c(C(=O)N2CCC[C@@H](CC#N)C2)oc2ccccc12 597900060 HZDUKYBKTGGYKJ-ZDUSSCGKSA-N 296.370 3.761 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2ccc(C#N)o2)cc1 743439516 ZJXPNOABNVVDAW-ZDUSSCGKSA-N 281.359 3.959 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 593958350 KGBILESSKZFHNZ-KGLIPLIRSA-N 296.370 3.549 30 20 CHED N#CC1(CCCn2ncc(Cl)c2C2CC2)CCOCC1 596313703 VIUVQLVSYMSZGW-UHFFFAOYSA-N 293.798 3.514 30 20 CHED O=C(O)Cc1ccc(NN=C2CCCC23CCCC3)cc1 848415015 VIVFFZQCGDERNW-UHFFFAOYSA-N 286.375 3.826 30 20 CHED C#CCN(Cc1ccccc1C#N)[C@@H]1CCc2ccccc21 917116961 AWQHDVPSANAHKY-HXUWFJFHSA-N 286.378 3.681 30 20 CHED Cc1cnc([C@@H](C)CNc2ccc(C#N)cc2C)s1 846752982 WKKLJQMZHFCWTL-NSHDSACASA-N 271.389 3.847 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1ccsc1 749104501 MAKWBIWMTXBWSI-UHFFFAOYSA-N 266.316 3.540 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C)C1 670232577 UCFDIGFLPQUVKX-AWEZNQCLSA-N 290.455 3.679 30 20 CHED Cc1cc(C#N)ccc1COC(=O)/C=C/c1ccsc1 748920075 CFNYEOXMMRRRPD-HWKANZROSA-N 283.352 3.685 30 20 CHED C#C[C@@H](OC(=O)c1csc(CC(C)C)n1)c1ccccc1 842389368 DYMAZKJPACMCAH-OAHLLOKOSA-N 299.395 3.873 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2nc(Cl)c(C#N)s2)C1 841225790 YDIHWNRPIPASDS-IUCAKERBSA-N 297.811 3.823 30 20 CHED C[C@H]1OCCC1=NNc1nc(Cl)c(Cl)cc1Cl 747747589 SFNYOIPONYIKJW-RXMQYKEDSA-N 294.569 3.619 30 20 CHED CCN(Cc1cc(Cl)ccc1OCC1CC1)[C@H](C)C#N 595820585 MXBHRHVVDRQCKS-GFCCVEGCSA-N 292.810 3.863 30 20 CHED N#CCCCCCC(=O)Nc1ccc([C@H]2CCOC2)cc1 590515652 UJESROLFYAVKEX-HNNXBMFYSA-N 286.375 3.603 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 590748553 FVJUQFFXBHAFFH-RHSMWYFYSA-N 284.403 3.734 30 20 CHED CCN(CCSc1ccc(F)cc1F)C[C@@H](C)C#N 595297903 KITHPJBOKUFQIU-NSHDSACASA-N 284.375 3.538 30 20 CHED CC1(C)CN([C@H](C#N)c2ccccc2)[C@@H]1c1cccnc1 596592665 ZXYYYOVCEKGVSK-IAGOWNOFSA-N 277.371 3.729 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](CC#N)C1 597906220 LFFBMQNZKGXKKD-WMZOPIPTSA-N 298.430 3.798 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccnc(-c3ccccc3)c2)C1 599088958 UXVFMFGANIUXCD-WMLDXEAASA-N 277.371 3.530 30 20 CHED C=C(C)COC(=O)c1csc(C2CCCCC2)n1 840667338 ZGCBVARVWCXNPE-UHFFFAOYSA-N 265.378 3.924 30 20 CHED C=CCN(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl 681674177 CQBDXYLUWWOJFA-SECBINFHSA-N 272.175 3.741 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc(CC(=O)O)cc1 848414883 SOQKUIZDNKBNHK-TZMCWYRMSA-N 274.364 3.538 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCCc2sccc21)OCC 684781471 MLERHVONWCDROQ-CQSZACIVSA-N 293.432 3.789 30 20 CHED COc1cccc(/C=N\[C@@H](C)CCc2ccccc2)c1O 920942686 OFNMJWSRLBMOAI-QIQQCEGHSA-N 283.371 3.841 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCc2ccc(Cl)cc21 858230411 XTWIPXRXVIDODY-IINYFYTJSA-N 278.783 3.591 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](F)c1ccccc1 851207176 UJJPSAANLJCZSE-AAEUAGOBSA-N 263.312 3.569 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ccc(OCC(F)(F)F)cc1 758375330 QTXRHOUHSMPTPS-VHSXEESVSA-N 272.270 3.681 30 20 CHED C=C(C)CCc1noc(C2(c3cccc(OC)c3)CC2)n1 685384983 XNLCYMFDBCZHSY-UHFFFAOYSA-N 284.359 3.667 30 20 CHED CC[C@H](CNCc1ccc(OCC#N)cc1)c1ccccc1 920957278 XHGSKNRBGMUBHB-QGZVFWFLSA-N 294.398 3.872 30 20 CHED C(=NNc1nc2ccccc2[nH]1)[C@@H]1CCc2ccccc21 755487423 DVULRWYMWJKLIQ-ZDUSSCGKSA-N 276.343 3.691 30 20 CHED Clc1cccc2c1OCCCC2=NO[C@H]1CCCCO1 755824862 UAWASQFPTJCEPF-AWEZNQCLSA-N 295.766 3.760 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C(C)=C(C)C 751193833 SFSZXXWXWPYPOW-UHFFFAOYSA-N 257.377 3.600 30 20 CHED CCc1nc(C=NNc2cc(F)c(F)c(F)c2)cs1 755754906 HKMBVEXJEXOSRU-UHFFFAOYSA-N 285.294 3.569 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(F)cc2C)c1 759210265 PPKKIHGSYHINFG-UHFFFAOYSA-N 276.286 3.728 30 20 CHED Cc1ccnn1-c1ccccc1N[C@H](C)CC(C)(C)C#N 926141680 HVLFVDMRZGOOFO-CYBMUJFWSA-N 282.391 3.921 30 20 CHED CCCC1CCC(=NNc2nc(-c3ccncc3)no2)CC1 750949167 SRQQIDSVRPSXDE-UHFFFAOYSA-N 299.378 3.890 30 20 CHED CCCCCCCNC(=O)N(C)C[C@@H](C)c1nccs1 858112475 NZJPMAUEDVUIBF-CYBMUJFWSA-N 297.468 3.858 30 20 CHED N#Cc1ccc([C@H](O)CNC2CCC(C3CCC3)CC2)cc1 853124385 LRZDJKBDFQOLGV-NKELODKYSA-N 298.430 3.540 30 20 CHED C#CCCCC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 759340961 GIRSALLBCOLQCP-SJORKVTESA-N 269.388 3.633 30 20 CHED N#CC1(NC(=O)c2ccc(F)c3occc23)CCCCC1 931297624 LFZWBLCKPFBACV-UHFFFAOYSA-N 286.306 3.528 30 20 CHED CCCC1(C(=O)OCc2ccc(OCC#N)cc2)CCC1 759449643 UVXQIALFAMARJX-UHFFFAOYSA-N 287.359 3.603 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1nncc2ccccc12 765993043 JKORVNPHEFNRIT-LLVKDONJSA-N 268.364 3.854 30 20 CHED CCC(Cc1ccc(OC)c(OC)c1)=NNc1ccccn1 763345962 NMSRKGQOLCPISP-UHFFFAOYSA-N 299.374 3.519 30 20 CHED COc1cc(C)ccc1C(C)=NNc1cccc(C)n1 863161949 MORDOHZNVQLEEU-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C=CCCOC(=O)c1c(C)nc(C(C)(C)C)nc1SC 761544576 VPCCRHBDAZLJKT-UHFFFAOYSA-N 294.420 3.537 30 20 CHED Cc1cc(/C=C2/CCc3cc(O)ccc3C2=O)ccc1C#N 766490748 LKGIYEFEJBGJME-DHDCSXOGSA-N 289.334 3.785 30 20 CHED COc1ccsc1C(=O)/C=C\c1cccc(F)c1F 769744128 GYKKJEAHYIKCRI-WAYWQWQTSA-N 280.295 3.931 30 20 CHED COc1ccsc1/C=C1\COc2c(C)cccc2C1=O 764431428 CRMSWNVEGWCFPK-DHZHZOJOSA-N 286.352 3.724 30 20 CHED CC#CCCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767876604 LBXFXOHBMKTIHF-AWEZNQCLSA-N 281.321 3.908 30 20 CHED C=CC[C@H](N[C@H](C)c1cnc(C)s1)c1ccncc1 761450910 MESBUCHBHGQPIA-RISCZKNCSA-N 273.405 3.815 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H](Nc2ccccc2)C1 934946310 YBBAQTZCPLAANO-WBVHZDCISA-N 286.419 3.692 30 20 CHED CCCCCCCNC(=O)CCCC(F)(F)F 862357904 MDMQJVVLBLMWML-UHFFFAOYSA-N 253.308 3.806 30 20 CHED C=C(C)COC(=O)/C=C\c1ccc(SC)s1 860290034 LLQHYIUTABBPRT-XQRVVYSFSA-N 254.376 3.603 30 20 CHED CCC1(CC)C(=NNc2ccc(Cl)nc2)C[C@H]1OC 762604263 NLVYVJJFQJKJCI-GFCCVEGCSA-N 281.787 3.728 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)CCc2ccc(F)cc2)CC1 865699320 PMWNVPGTWYPVBL-AWEZNQCLSA-N 289.394 3.819 30 20 CHED C=CC[C@H](NCc1cccn1C1CC1)c1ccncc1 1117784972 UCOXGJYTBOKPGT-KRWDZBQOSA-N 267.376 3.625 30 20 CHED CCC[C@@H](C/N=C/c1cc2ccccc2nc1O)OCC 864345439 WWXXLIUBIUQOCF-LZNAANCOSA-N 286.375 3.565 30 20 CHED C=CCN(C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)C(C)C 769667584 ZIMOSWYUFJOTNP-QBBMROGASA-N 279.399 3.718 30 20 CHED N#CCC1(CN2CCCC[C@@H]2c2ccccc2)CC1 878433442 CVJGDELIPFLANA-MRXNPFEDSA-N 254.377 3.907 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC#Cc1ccccc1 1116266853 RJBFATQWNYZHSE-UHFFFAOYSA-N 295.407 3.705 30 20 CHED C=CC(C)(C)CC(=O)NCc1coc(-c2ccc(C)cc2)n1 879040539 XJISAEZYLBETAV-UHFFFAOYSA-N 298.386 3.869 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1CCC(=O)Nc2ccccc21 773127250 ZNMWYDAOMYMDSJ-INIZCTEOSA-N 299.418 3.681 30 20 CHED C=CC(C)(C)CC(=O)Nc1n[nH]c(C)c1-c1ccccc1 878560250 AWWCPGFXYZEYET-UHFFFAOYSA-N 283.375 3.926 30 20 CHED CCO[C@H](CCNc1cccc(CC#N)n1)C1CCCC1 1116661438 BSVFVKSGJQKHSD-MRXNPFEDSA-N 287.407 3.545 30 20 CHED CCCCCCCS(=O)(=O)Cc1c(F)cccc1F 779717726 FNZHGAJIQMGPLX-UHFFFAOYSA-N 290.375 3.850 30 20 CHED C#C[C@H](NCc1cc(-c2ccccc2)cs1)[C@@H]1CCCO1 775340769 IFZGPRHVONLKDM-ROUUACIJSA-N 297.423 3.686 30 20 CHED N#C[C@@H](OC(=O)CCC1CCCC1)C1CCCCC1 776359568 JKTXSDPODGAVTG-OAHLLOKOSA-N 263.381 3.972 30 20 CHED C#CCC1(C(=O)N2CCCc3ccc(C)nc32)CCCCC1 876488981 PULHLQQDVOPOOY-UHFFFAOYSA-N 296.414 3.643 30 20 CHED Clc1ccc2c(c1)C(=NOC1CCOCC1)CCC2 774433523 POFQZOOXSZULDF-UHFFFAOYSA-N 279.767 3.576 30 20 CHED CC(C)c1cccc(CNC(=O)CC#Cc2ccccc2)c1 1116658996 VRZMEHAARJISTP-UHFFFAOYSA-N 291.394 3.868 30 20 CHED CCC[C@H](C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 876166105 MCCANUYMECFWLA-JTQLQIEISA-N 264.756 3.611 30 20 CHED C=CC(C)(C)CC(=O)NCCCc1c[nH]c2ccccc12 878773591 ZHRFTQRHZFTQRJ-UHFFFAOYSA-N 284.403 3.819 30 20 CHED CSC(C)(C)CCN[C@H](C)c1cccc(C#N)c1 877066183 FSKZCQPGBQBZJT-GFCCVEGCSA-N 262.422 3.741 30 20 CHED COc1ccc2cc(/C=C/C(=O)OC(C)(C)C#N)ccc2c1 779226283 LTWVEEQKMJIUOS-WEVVVXLNSA-N 295.338 3.707 30 20 CHED Cc1cccc(N=C2NN=C(CC3CC3)CS2)c1C 776243073 NLYYBMPDRYXOKE-UHFFFAOYSA-N 273.405 3.783 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC[C@@H]1CC1(Cl)Cl 779742688 LUIUYWDXOZDMEE-UWVGGRQHSA-N 285.174 3.583 30 20 CHED Cc1cc(C)c(C=NNc2nccnc2C(C)C)c(C)c1 773091452 PFEWJAQXEOBKTL-UHFFFAOYSA-N 282.391 3.971 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(Cl)cc(Cl)c1F 880892902 UPBXHHDPIYCWBH-ZETCQYMHSA-N 289.137 3.618 30 20 CHED C[C@H](CC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CC1 887704369 BUROGVDECSXZBU-CQSZACIVSA-N 296.414 3.700 30 20 CHED CC[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CC1(C)C 1129857545 AQHMWNNSTMEXEQ-TZMCWYRMSA-N 290.794 3.766 30 20 CHED CC1(N2CCCC2)CCC(=NNCC2CCCC2)CC1 884469070 VQZPJSMKVPNKLW-UHFFFAOYSA-N 277.456 3.551 30 20 CHED CSc1cccc(NC(=O)c2ccsc2C#N)c1 1124245380 PVHPGCSEMNASDM-UHFFFAOYSA-N 274.370 3.594 30 20 CHED CCCn1cccc1C=NNc1ccc(C#N)c(Cl)c1 783877106 GSJMJZWFAKNCMI-UHFFFAOYSA-N 286.766 3.869 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1coc(-c2ccccc2)n1 785758783 CRRUUZOOHLSZPR-KRWDZBQOSA-N 285.343 3.987 30 20 CHED C[C@H](OC(=O)c1cccc(Cl)n1)c1cccc(C#N)c1 780348188 UTXSJEIWXBHCFF-JTQLQIEISA-N 286.718 3.525 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 785599114 UTWDYXMAQJFKEI-SUMWQHHRSA-N 274.408 3.532 30 20 CHED CCN(C(=O)[C@H](F)C(C)C)c1ccc(C#N)c(Cl)c1 784136438 HUNOFSKPNJDGCZ-CYBMUJFWSA-N 282.746 3.559 30 20 CHED CC/C(C)=C(/C)C(=O)OCc1ccc(C#N)c(C)c1 784616009 XKBQQPIILPGGRD-QBFSEMIESA-N 257.333 3.656 30 20 CHED CCCCC[C@](C)(CC)C(=O)N[C@@H](C#N)C(C)C 782606626 SPQDVFLKCCUZEK-ZFWWWQNUSA-N 252.402 3.647 30 20 CHED CO[C@@H](C(C)=NNc1ccc2[nH]ncc2c1)c1ccccc1 782269809 VCYCOLZDXWZRPU-KRWDZBQOSA-N 294.358 3.738 30 20 CHED C=CCC[C@@H](C)Nc1cccc(CCC(=O)OC)c1 786579005 ZVHLUKFVLLCKCY-CYBMUJFWSA-N 261.365 3.559 30 20 CHED CC(C)c1cccc(NC(=O)N2CCC(C#N)CC2)c1 104981617 GTNGBWLQLZBAQB-UHFFFAOYSA-N 271.364 3.577 30 20 CHED C=C[C@@H]1CCCCN1c1ncnc2sc(C)cc12 784676830 QKXKWAVTBRXYCL-LLVKDONJSA-N 259.378 3.545 30 20 CHED Cc1cc(C=NNCc2ccc(C(F)(F)F)cc2)sn1 785452310 DQPSGLHXUDGELU-UHFFFAOYSA-N 299.321 3.594 30 20 CHED CCC1(C(=O)N2CCCc3nc(C#N)ccc32)CCCCC1 892400250 QAJMHKROSLVQEZ-UHFFFAOYSA-N 297.402 3.593 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1C[C@@]12CCc1ccccc12 783954880 YYEYYSFPJAEMEC-VQIMIIECSA-N 297.398 3.764 30 20 CHED C#Cc1ccc(C(=O)N[C@H](C)CCCC(F)(F)F)cc1 897563491 NXZLWQUQPYSBFY-LLVKDONJSA-N 283.293 3.519 30 20 CHED C=C1CC(c2noc(CCCOc3ccccc3C)n2)C1 896884704 PPVVVVBFEKNSSU-UHFFFAOYSA-N 284.359 3.823 30 20 CHED Cc1cccc(N(C)C(=O)Nc2sccc2C#N)c1 1207293009 KDOXDQPLEDCYNC-UHFFFAOYSA-N 271.345 3.597 30 20 CHED Cc1ccc(C(=O)N2CCCC[C@H]2CC(C)C)cc1C#N 799348799 QBPYZCPBNTUWGZ-KRWDZBQOSA-N 284.403 3.908 30 20 CHED CC(=NNc1ncccc1C)c1cccc(F)c1F 790187013 SBKJCXVZKMPWNI-UHFFFAOYSA-N 261.275 3.504 30 20 CHED CC(C)(C)C1CCN(N=Cc2cccc(OCC#N)c2)CC1 790182247 YSMLVVWMWDALNQ-UHFFFAOYSA-N 299.418 3.681 30 20 CHED CSCCON=C(C)C1CCC(F)(F)CC1 794574567 JTMRZQQVEYDWLA-UHFFFAOYSA-N 251.342 3.567 30 20 CHED COCCCON=C(C)Cc1ccc(C(F)(F)F)cc1 795055256 JCMWCFQKIBEOCC-UHFFFAOYSA-N 289.297 3.677 30 20 CHED COCCN(C)N=C1CCC(C2CCCCC2)CC1 794964002 UACKBHWCBVNZEU-UHFFFAOYSA-N 266.429 3.691 30 20 CHED C#C[C@H](CCC)NC(=O)c1nc(C)sc1-c1ccccc1 791750807 QZZYDCUBMFJFPZ-CQSZACIVSA-N 298.411 3.650 30 20 CHED Fc1cccnc1NN=C1CCc2c(Cl)cccc21 794984228 JMSGNRBACWBYTN-UHFFFAOYSA-N 275.714 3.637 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C1 192049185 DLFJVNOGABLWLR-HUUCEWRRSA-N 292.423 3.803 30 20 CHED Cc1nsc(C)c1C(=O)O[C@@H](C)c1ccc(C#N)cc1 795949381 UQPCNPUKIMUXRC-JTQLQIEISA-N 286.356 3.550 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccccn3)C2)c(Cl)c1 799197859 LUTKKHCELKOPGI-OAHLLOKOSA-N 297.789 3.596 30 20 CHED C#Cc1ccc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)nc1 797406556 CYZJEXDDGYEZIB-OWCLPIDISA-N 283.371 3.579 30 20 CHED CCOC1CC(CON=Cc2ccc(C(C)C)cc2)C1 795199450 MYSKCNUVFCADLP-UHFFFAOYSA-N 275.392 3.976 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1ccnc(F)c1 794904102 WTAPZKFEVPBCHB-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=C(Cl)COC(=O)CC(C)(C)CC(=O)c1ccccc1 799570198 PNCNYQTUSAUVRN-UHFFFAOYSA-N 294.778 3.971 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C(C)C)oc2C)c1 796125478 HRFOMJCXWAAWTC-UHFFFAOYSA-N 281.355 3.969 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](CCN(C)CC(C)(C)C#N)C1 1307793467 KPDIJFLAHXNSOR-FICVDOATSA-N 250.430 3.930 30 20 CHED Cc1ccc(C#N)c(NC[C@H]2CCCc3ccccc32)n1 1162551171 DMKVHKHANTWIKY-MRXNPFEDSA-N 277.371 3.794 30 20 CHED COc1ccc(C)cc1COc1cccc(F)c1C#N 133654997 DZXNYGQRLJBHHU-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CSc1ccccc1C(C)=NOC/C=C\Cl 1323991136 LWLNZQSEQSSETA-YKLPQZDPSA-N 255.770 3.902 30 20 CHED CC[C@H](CC1CCCC1)C(=O)OCc1ccc(C#N)cn1 1324641506 KQXUQHGHJOEIQG-OAHLLOKOSA-N 286.375 3.603 30 20 CHED C=CCC1(NC(=O)Cc2c[nH]c3cnccc23)CCCCC1 1324936560 ISHGWQHUDBSXIC-UHFFFAOYSA-N 297.402 3.501 30 20 CHED C=C[C@H](COC)NC(=O)Nc1ccc(C(C)(C)CC)cc1 1321025293 RGJSXYRLICYQPO-CQSZACIVSA-N 290.407 3.697 30 20 CHED C#CCN(CC1CC1)C(=O)/C=C(\C)c1ccccc1Cl 1322962469 TWEFNIRTVIMJNM-ACCUITESSA-N 287.790 3.615 30 20 CHED Fc1ccc(CCC=NNc2cccc(Cl)n2)cc1 1324143663 SIJSVVOYIYAJQH-UHFFFAOYSA-N 277.730 3.905 30 20 CHED CCCC1CCN(CCCC2(C#N)CCOCC2)CC1 1322588315 NPRMPZLKXMPFKJ-UHFFFAOYSA-N 278.440 3.599 30 20 CHED C=C(C)C(C)(C)c1nnc(-c2nnc(-c3ccccc3)o2)o1 1327027184 VODPFMIGTPSPTR-UHFFFAOYSA-N 296.330 3.640 30 20 CHED C=CCn1cnnc1S[C@@H](CC)c1ccccc1 1322153275 YQHZBGDWDWLTRA-ZDUSSCGKSA-N 259.378 3.708 30 20 CHED N#Cc1c(F)cccc1SCc1ncoc1C1CC1 1327218607 NJCZPKSNAISMMX-UHFFFAOYSA-N 274.320 3.855 30 20 CHED N#CC1(NC(=O)c2ccc(-c3cccs3)s2)CCC1 1323696780 DGGCTYLXTQFNBB-UHFFFAOYSA-N 288.397 3.653 30 20 CHED C[C@H]1CC/C(=C/c2nnc(COc3ccc(C#N)cc3)o2)C1 1327786499 XKYVMFDNWBEVAX-CJAAZZPWSA-N 295.342 3.724 30 20 CHED Cc1cc(C#N)ccc1N1CCC(c2ccncc2)CC1 1333653622 HTUPYCPEPUGNOG-UHFFFAOYSA-N 277.371 3.646 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ncc(Cc2ccccc2)o1 1334374470 VXPONAPQXHANPK-AWEZNQCLSA-N 298.386 3.740 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc2ccccc2nc1O 1337552545 ZGPCYUOKOMQKKG-AWEZNQCLSA-N 296.370 3.511 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)CC1CCCCC1 1340722237 DSSFFZBNLUKUDQ-UHFFFAOYSA-N 277.755 3.516 30 20 CHED C=C(C)Cn1c(N2CCC[C@@H](C)CC2)nnc1C(C)(F)F 1345923357 JCUIWESIEPNTHR-GFCCVEGCSA-N 298.381 3.592 30 20 CHED C[C@H]1Cc2ccccc2N(C(=O)c2cc(C#N)ccc2F)C1 1359896059 ACPQJWASGSXXRE-LBPRGKRZSA-N 294.329 3.536 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)s2)CC1 1435981907 RBCLJIRGNHAMGO-STQMWFEESA-N 290.432 3.954 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 1514860520 YUZAKAOANRIVMB-YESZJQIVSA-N 287.378 3.886 30 20 CHED Cc1cc2c(NC(=O)CCCC(C)(C)C)n[nH]c2cc1C#N 1452827414 VFWNPNNWALHTTF-UHFFFAOYSA-N 298.390 3.898 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(F)c1 1521390116 VBRPNEJTMILYIM-GFCCVEGCSA-N 282.318 3.515 30 20 CHED C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(OCC#N)cc1 221980248 XPNIQSSYYVRMBG-GHMZBOCLSA-N 286.297 3.580 30 20 CHED O=C(O)c1ccc(Cl)c(/C=C/C(=O)c2ccccc2)c1 1602357752 APLOABNFUNMKSV-VQHVLOKHSA-N 286.714 3.934 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1cc(C#N)c(F)cc1F 1462278939 BJBAEZUZSARJQC-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=CC[C@@H](C(=O)O)N1CCC(c2cccc(Cl)c2)CC1 1602834739 CBQGNUFVSFYYDT-HNNXBMFYSA-N 293.794 3.549 30 20 CHED CCCCN(Cc1cc(C#N)ccc1F)CC(F)(F)F 112339583 UDOWRXFQRJSOAX-UHFFFAOYSA-N 288.288 3.862 30 20 CHED N#Cc1cnc(Oc2ccc(Cl)cc2F)c(F)c1 1611722954 JYPTYZWQRCILLT-UHFFFAOYSA-N 266.634 3.677 30 20 CHED N#CC1(CCN2CCOc3ccccc32)CCCCC1 1615149268 NAJYSDPEYDBSTL-UHFFFAOYSA-N 270.376 3.750 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1ccccc1CC#N 1629156083 VJSIUJQJLXFRPQ-GJZGRUSLSA-N 284.403 3.699 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 227358793 KPUZOFGDIOMXQI-NWDGAFQWSA-N 291.376 3.553 30 20 CHED C[C@H]1CN(C(=O)c2cccc(F)c2C#N)[C@@H]1c1ccccc1 1620454467 XMUYQASMYLVCKJ-SJCJKPOMSA-N 294.329 3.531 30 20 CHED C=CCCOCCNC1CC(c2cccc(Cl)c2)C1 228830584 NDXIWBCPVUGJPI-UHFFFAOYSA-N 279.811 3.768 30 20 CHED C=C(CNC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C)c1ccccc1 1635923527 NUTXBDHFWYYXNX-HALDLXJZSA-N 286.419 3.824 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(Cl)cc1C(=O)O 1573348448 XDPUUHKTMBHSSU-UHFFFAOYSA-N 281.739 3.579 30 20 CHED C[C@H]1CCCC[C@H]1CN(C)Cc1cccc(C#N)c1 1657582286 JECNNCRYRJDHGB-YOEHRIQHSA-N 256.393 3.816 30 20 CHED Cc1cc(=N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c(C#N)c[nH]1 1651820304 ZMBGROOXDUOAIS-RHSMWYFYSA-N 295.361 3.571 30 20 CHED Cc1cc(=Nc2cccc(CC(F)(F)F)c2)c(C#N)c[nH]1 1650806169 NSVZKSOMIKKKBH-UHFFFAOYSA-N 291.276 3.532 30 20 CHED CC(C)CCN(CCC#N)Cc1cc2ccccc2n1C 1651831751 YGSYQGDSNUMBFU-UHFFFAOYSA-N 283.419 3.940 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2F)sc1C 1597366335 CNCQTGNPWYEZLV-UHFFFAOYSA-N 292.310 3.767 30 20 CHED C[C@@H]1C/C(=C\c2cncc(C(=O)O)c2)C(=O)c2sccc21 1776589489 GHXHUBHWJDRLFZ-JTTRITNRSA-N 299.351 3.615 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@H](C)c2ccc3c(c2)CCC3)C1 1776157365 FSSRSYPIJGWJJF-KUHUBIRLSA-N 299.414 3.589 30 20 CHED CCOCCCCNc1ccc(C#N)cc1Br 134673510 HTROREGQUMVSIJ-UHFFFAOYSA-N 297.196 3.549 30 20 CHED CCCN(CCC)C(=O)N[C@H](CCC#N)c1ccccc1 151291704 HKNBHYNEWNOHIG-MRXNPFEDSA-N 287.407 3.863 30 20 CHED C=CCCCCCN(C)C(=O)c1cc2occc2[nH]1 152882342 HQDNJBNYZUPQOH-UHFFFAOYSA-N 260.337 3.579 30 20 CHED N#CCC[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1 153613276 LQJJEUAHBIRBCN-ZBFHGGJFSA-N 268.360 3.504 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1CCC(F)(F)F 157576371 VNFDODDWMVEZEW-UHFFFAOYSA-N 286.297 3.879 30 20 CHED O=C(/C=C\c1ccccc1Br)c1ccco1 207079858 ZDJDHOFLFITSHR-FPLPWBNLSA-N 277.117 3.938 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C)cn1 154261541 VRYSOIBZQZDUJV-UHFFFAOYSA-N 259.397 3.542 30 20 CHED C#Cc1ccc(CNCc2c(C)cc(C)cc2C)cc1 809610764 CULMZLZFAHKPSZ-UHFFFAOYSA-N 263.384 3.883 30 20 CHED C=CCCCCCCCN[C@H]1CCN2CCC[C@H]2C1 810243830 VJVBAKGEYQPJDT-IRXDYDNUSA-N 264.457 3.729 30 20 CHED N#Cc1ccccc1NC(=O)C1C[C@H]2CCC[C@H](C1)C2 1321991669 NWHXYVQLYLMBPO-STQMWFEESA-N 268.360 3.713 30 20 CHED N#Cc1cc2c(nc1NC[C@H]1CCCCS1)CCCC2 156420252 MAJCQOLOPBHUTK-CQSZACIVSA-N 287.432 3.530 30 20 CHED C[C@@H](CNc1c(C#N)cnc2ccccc12)C1CC1 158657967 CKVOSBCCPZYMEK-NSHDSACASA-N 251.333 3.564 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1ccc(C#N)cc1 35239359 DCJMUIJMMIDYJP-LLVKDONJSA-N 265.291 3.742 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CCO1 270789944 RFHOBJZKZUYRPT-WCQYABFASA-N 293.798 3.612 30 20 CHED Cc1cc(C)cc(CNc2ccc(CC#N)cc2)c1 49899947 NNLZSNCKGALPMD-UHFFFAOYSA-N 250.345 3.982 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1cc(C)cc(C)c1 49990482 FOKUNCVIVWFBGJ-UHFFFAOYSA-N 258.365 3.596 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cncs2)cc1 287555536 PXEVFZRSBGIMRR-LBPRGKRZSA-N 274.389 3.559 30 20 CHED N#Cc1cccc(CN2CCCc3ccccc3C2)c1 62944639 HCINSVGVSVQUNQ-UHFFFAOYSA-N 262.356 3.507 30 20 CHED C[C@H](Nc1cc(F)cc(C#N)c1)c1cccc(C#N)c1 600852644 RFWFZKYLCDYJGI-NSHDSACASA-N 265.291 3.742 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CC(C)(C)C1CC1 405794215 UIEVZROYCSLCSC-UHFFFAOYSA-N 256.349 3.632 30 20 CHED CCCCCCCCC(=O)N(C)C1(C(=O)O)CCCC1 312667138 LKWXZRBHNDOXRV-UHFFFAOYSA-N 283.412 3.593 30 20 CHED C=C(CC)CNC(=O)CCCc1c[nH]c2ccccc12 313510420 AXXKYLKIWUQGKN-UHFFFAOYSA-N 270.376 3.573 30 20 CHED CCC[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 466489338 BYQNHWXAFCRWRX-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED CC[C@H]1[C@@H](C)CCN1c1nc(C)c(C#N)cc1Cl 384279918 DOHHZWKUKLCJJR-ZANVPECISA-N 263.772 3.540 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC)c(OC)c1Cl 393811555 WKZVUMIPEXMGMQ-GFCCVEGCSA-N 283.799 3.802 30 20 CHED N#CCc1ccc(CSC2(CO)CCCCC2)cc1 399094688 XTTCZDYRDUOBDM-UHFFFAOYSA-N 275.417 3.681 30 20 CHED CCCCCCCNC(=O)c1cccc(NC(=O)CC)c1 105281931 DPLATPQFWSQJSM-UHFFFAOYSA-N 290.407 3.735 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1ccoc1C)c1ccccc1 179088310 JOOQQYNLZKUGNW-OAHLLOKOSA-N 283.371 3.906 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc3c(c2)CCO3)c1 54801699 ZZJKRUGAIMIGHW-ALCCZGGFSA-N 280.323 3.526 30 20 CHED C=CC1CCN(C(=O)c2cc(C)c3ccccc3n2)CC1 110365569 OEUVZXLJJFOTIZ-UHFFFAOYSA-N 280.371 3.581 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)NCc1ccc(C#N)cc1 177211136 YFHJFQJXULBRGD-QGZVFWFLSA-N 299.418 3.668 30 20 CHED CCCCCCC[C@H](C)NC1CCN(C(=O)C2CC2)CC1 59474677 ZDLGTWIMYSDFSW-HNNXBMFYSA-N 294.483 3.726 30 20 CHED Cc1ncc(COc2ccc(C#N)cc2Cl)s1 58863969 HYIHYLKZQAMAQZ-UHFFFAOYSA-N 264.737 3.556 30 20 CHED N#Cc1ccc(CCc2nc(-c3cccc(F)c3)no2)cc1 109606318 ADFSORHKFNWHRM-UHFFFAOYSA-N 293.301 3.533 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccccc1)C(C)C 116935925 WXWSOTSGOYJPSU-ZFWWWQNUSA-N 260.381 3.648 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)C(=O)CCC3)c(F)c1 175147466 LUOSHUGPZOWUQM-UHFFFAOYSA-N 294.329 3.828 30 20 CHED COc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)cc1 69087048 NNJCRVTUQBWDNY-SFHVURJKSA-N 292.382 3.904 30 20 CHED C=CC[C@@H](C)NC(=O)CCCOc1ccccc1Cl 116851769 GYKFVDNXFABUDV-GFCCVEGCSA-N 281.783 3.580 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1cc(C)on1 172112838 DJBRMCZVQVLOHK-CYBMUJFWSA-N 280.412 3.638 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cnc3ccccn23)c1 119120977 YUXICZLWHIOCHZ-CMDGGOBGSA-N 276.339 3.847 30 20 CHED C#CCCCN[C@H](C)c1sc(-c2cccnc2)nc1C 178058333 WBIMXSJNVBETCH-GFCCVEGCSA-N 285.416 3.578 30 20 CHED N#C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)C1CC1 176064606 QBCWQANJEPDIED-KSZLIROESA-N 291.350 3.789 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccccc1OCC 177865468 OUVVPMLSKUPJNA-GFCCVEGCSA-N 279.405 3.722 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 174324546 XQLXQMXAFUHXER-SNVBAGLBSA-N 286.297 3.878 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(C#N)c1 173562403 GPUBXLBCLGYLQG-GOSISDBHSA-N 292.382 3.652 30 20 CHED N#Cc1cc(NC/C(Cl)=C\Cl)ccc1Cl 308872909 LOKZDTKPDZLGHH-XBXARRHUSA-N 261.539 3.943 30 20 CHED C=C(C)CN(C)C(=O)CC1CC(c2ccccc2)C1 409919650 PWGUPWPMPAYCGO-UHFFFAOYSA-N 257.377 3.605 30 20 CHED CC[C@@H](c1ccccc1)c1nnc(S[C@@H](C)C#N)o1 67954113 NPOWTYIHXUPOEZ-JQWIXIFHSA-N 273.361 3.616 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)o1 24717843 SLMFIWTVODORRH-ONEGZZNKSA-N 290.702 3.866 30 20 CHED CCCCCCCCC(=O)N1CCO[C@H](c2ccco2)C1 176735041 MFJSWLVFPWFSLW-INIZCTEOSA-N 293.407 3.930 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)/C=C/c1ccccc1C#N 27254456 DVYKTLYKLIRPII-GVYWVIINSA-N 282.387 3.609 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C(\C)c1ccccc1OC(F)F 175993244 FMSUBNAAKHRKRV-UQSGXBNBSA-N 295.285 3.537 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2C#N)CC1 251705769 KFAPJSLEMRPIJY-HAQNSBGRSA-N 274.339 3.852 30 20 CHED CN(Cc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1F 302021841 FVKPDBDXLQMMDS-UHFFFAOYSA-N 294.251 3.751 30 20 CHED N#Cc1cc(N[C@@H]2C[C@H]3OCCC[C@@H]23)ccc1C(F)(F)F 302601100 YOPJAZCYWCKGMO-IACUBPJLSA-N 296.292 3.556 30 20 CHED C[C@@H](Cc1ccsc1)Nc1cccc(F)c1C#N 60451991 IUHGJHMWOPBXBQ-JTQLQIEISA-N 260.337 3.802 30 20 CHED C=C(Br)CNCc1cc(C)c(C)cc1C 122714004 JXHRLRSCLUHDPB-UHFFFAOYSA-N 268.198 3.610 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1cccc(C#N)c1 303516060 DGDYZZGQSAQIBF-LBPRGKRZSA-N 256.349 3.713 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCCCc2ccccc2)c1 124739997 LYNSNLXUMODWJU-UHFFFAOYSA-N 281.315 3.511 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1c(F)cccc1F 126175269 DIDDNYJNLGFBHX-UHFFFAOYSA-N 280.318 3.557 30 20 CHED C[C@H](NC[C@@H](C)N(C)c1ccccc1)c1cccc(C#N)c1 181503514 UNFWNQGPZVRWSD-CVEARBPZSA-N 293.414 3.734 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2C[C@H]2C2CC2)CC1 187284297 KCCKVWCADCOXRI-DIODGJHASA-N 288.435 3.647 30 20 CHED N#CCCCN(CCc1ccc(F)cc1)C1CCCC1 123468569 XDUDERRAFVZKIR-UHFFFAOYSA-N 274.383 3.917 30 20 CHED N#CCCN(CCC#N)Cc1c(Cl)cccc1Cl 121921937 GAXSTFSGPIKEOV-UHFFFAOYSA-N 282.174 3.623 30 20 CHED Cc1cccc2c1CN(c1cccc(F)c1C#N)CC2 428669662 QGIXEWTYGNMEJM-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CCC(CC)CN(CC)C(=O)Cc1c(F)cccc1C#N 506499244 KEZWTFHWKGNCQI-UHFFFAOYSA-N 290.382 3.525 30 20 CHED Cc1ccc(-c2ocnc2C(=O)OCC2(C#N)CCC2)cc1 183852169 HPAZMSDSIAVGJM-UHFFFAOYSA-N 296.326 3.501 30 20 CHED C[C@H](NCCCCC#N)c1cccc(N2CCCC2)c1 181875313 WUBCKTJPCKUPDN-HNNXBMFYSA-N 271.408 3.631 30 20 CHED Cc1ccc(OC(F)F)c(/C=C/C(=O)c2ccncc2)c1 182243483 RVVNWTSRGSHSBH-ONEGZZNKSA-N 289.281 3.888 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@@](C)(C#N)C(C)(C)C 410668369 ALNQCFFFXNLROL-WFASDCNBSA-N 252.402 3.503 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(F)cc1C#N 489553233 ZOXWAWBIZVIOEM-UHFFFAOYSA-N 280.346 3.886 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc2cnccc2c1 410561231 WBCQNPWDGVPHAF-UHFFFAOYSA-N 295.386 3.827 30 20 CHED C=C(C)CCc1noc(C2(c3ccccc3C)CC2)n1 508593870 GVSDRKLXQACYHZ-UHFFFAOYSA-N 268.360 3.967 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1ccccc1Cl 187962345 IFZMACGCKJKGKK-BLLLJJGKSA-N 295.810 3.746 30 20 CHED C=CCn1c(C)cc(C(=O)COc2ccccc2OC)c1C 72645031 TYTLSOBSSIZMQK-UHFFFAOYSA-N 299.370 3.561 30 20 CHED Cc1cc2cc(C(=O)/C=C/c3cn(C)nc3C)oc2cc1C 121299586 DSKTVNROQCWEGG-AATRIKPKSA-N 294.354 3.988 30 20 CHED CCCc1ccc(C(=O)Nc2sccc2C#N)cc1 126637039 XNJVBFIOEZSVIF-UHFFFAOYSA-N 270.357 3.825 30 20 CHED C=CCC[C@H](NCc1ccc(Cl)nc1)C1CC1 120317796 PVXJKEHCJVMVTL-ZDUSSCGKSA-N 250.773 3.569 30 20 CHED Cc1csc(C(=O)Nc2sccc2C#N)c1Cl 336084539 NEVKTSXNDBAXKB-UHFFFAOYSA-N 282.777 3.895 30 20 CHED C=C[C@H](C)NCc1ccc(Cl)cc1Br 158608091 JDXWEWQHQGZLKM-QMMMGPOBSA-N 274.589 3.767 30 20 CHED CC[C@@H](C#N)Sc1nnc(CCCc2ccccc2)o1 127774626 IMVBNDSQJKLBPR-ZDUSSCGKSA-N 287.388 3.639 30 20 CHED CO[C@H](COc1cccc(C#N)c1)c1ccc(Cl)cc1 508986112 SDDQWNZFWXRELQ-MRXNPFEDSA-N 287.746 3.978 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@H](CC(C)C)C1 509009684 DHAOTLMNOMIMSA-HUUCEWRRSA-N 290.455 3.850 30 20 CHED Cc1ccccc1COC(=O)c1c(F)cc(C#N)cc1F 124882687 RPOPYVJNWSLBEM-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C[C@H](NCCCSCC#N)c1ccc(Cl)cc1 72513374 BNAHLVSQNFUINO-NSHDSACASA-N 268.813 3.637 30 20 CHED CCCn1nc(C)c(CNc2ccc(CC#N)cc2)c1C 185151348 RLGJWTNRNPBAKN-UHFFFAOYSA-N 282.391 3.588 30 20 CHED CC#CCCCC(=O)Nc1ccc(N2CCCC2)c(F)c1 185431367 WCXTVXYCBOESEH-UHFFFAOYSA-N 288.366 3.558 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 77611345 GRYZAHRBRIZXLZ-WMLDXEAASA-N 299.418 3.668 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 180544681 GFPCGVWKPRSELO-AWEZNQCLSA-N 290.407 3.752 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC(F)(F)F)cc1 410141457 UTGJSSDBPWIQQO-LLVKDONJSA-N 287.281 3.670 30 20 CHED CCC1(CC)CCN(C(=O)c2cccc(CC#N)c2)CC1 188608714 YDAKKMKJMWIPML-UHFFFAOYSA-N 284.403 3.795 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C1CC(C)(C)C1 504796704 MKCUOXYQYVKHKB-UHFFFAOYSA-N 284.403 3.733 30 20 CHED CC(C)(C#N)COC(=O)c1ccc(Oc2ccccc2)o1 180101118 FYLSMZYXKVSRHE-UHFFFAOYSA-N 285.299 3.778 30 20 CHED CC(C)C1(C/N=C(/O)Nc2scnc2C2CC2)CC1 328913157 HWKHBUYTVGUQDP-UHFFFAOYSA-N 279.409 3.783 30 20 CHED CCC[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 500300458 AGUZZOZMVPSDLM-HNNXBMFYSA-N 286.419 3.979 30 20 CHED CC(C)n1nccc1CN[C@H]1CCCc2cc(C#N)ccc21 418149404 UTZYKLDXIFHSJR-SFHVURJKSA-N 294.402 3.503 30 20 CHED CC(=O)c1c(F)cccc1N(C)Cc1ccc(C#N)cc1 45933264 KZBNUUWDCQGLMP-UHFFFAOYSA-N 282.318 3.536 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ncc(Cl)cc1Cl 503095496 RBNGGLXBZYORLM-UHFFFAOYSA-N 292.169 3.896 30 20 CHED O=C(/C=C/c1nccn1-c1ccccc1)c1ccsc1 191289358 GJDWPFSVNUOILR-VOTSOKGWSA-N 280.352 3.830 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cccc([N+](=O)[O-])c1 88154388 CSQDAYFMXZZLFM-UHFFFAOYSA-N 282.299 3.662 30 20 CHED CCCCCCCC(=O)NCc1c(CC)nn(C)c1CC 130469162 XDHHPYGDZONCNF-UHFFFAOYSA-N 293.455 3.522 30 20 CHED CCN(Cc1ccccc1C(C)(C)C#N)CC1CC1 135226039 JXQDMOIEUJZZAD-UHFFFAOYSA-N 256.393 3.720 30 20 CHED C[C@H](CC1CCCC1)/C(O)=N/Cc1noc(C2CC2)n1 328941469 IBBPPYZPWNEHEG-SNVBAGLBSA-N 277.368 3.620 30 20 CHED Cc1ccoc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 48855087 KBPJMCUUYSMSSH-CYBMUJFWSA-N 276.295 3.626 30 20 CHED C=CCCCCCN(C)C[C@H](C)c1nccs1 193546692 NCGFXVKJKJMQAP-ZDUSSCGKSA-N 252.427 3.925 30 20 CHED CCN(Cc1cc(F)ccc1C#N)C1CCCCC1 229957213 YRXSIFVCZVEEGE-UHFFFAOYSA-N 260.356 3.852 30 20 CHED CCN(Cc1cc(Cl)cc(Cl)c1N)C[C@@H](C)C#N 381164942 AAXWCGPDBRURFJ-VIFPVBQESA-N 286.206 3.557 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccccc2Br)C1 612155092 NXTJKRZHGYQMIR-CQSZACIVSA-N 293.208 3.575 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2)CC1 381293716 KMKGZCPZHCPQQF-MQMHXKEQSA-N 256.349 3.713 30 20 CHED CCc1cc(C#N)ccc1OCc1cccc(F)c1C#N 427564387 JTTNZMMWUOJTQW-UHFFFAOYSA-N 280.302 3.710 30 20 CHED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 193050095 SOUXBFFXKRKBTL-UHFFFAOYSA-N 290.366 3.672 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1C 193127725 HEJLBNSCAJOXEB-BQYQJAHWSA-N 256.301 3.801 30 20 CHED CC(C)c1ccccc1OC(=O)c1cc(C#N)cs1 83937951 WIYHATVEHVEMFL-UHFFFAOYSA-N 271.341 3.962 30 20 CHED C[C@H]1OCC[C@@H]1Nc1ccc(Oc2ccccc2)c(C#N)c1 428412038 VCMJFKAMSXYEGW-DYVFJYSZSA-N 294.354 3.940 30 20 CHED C#CCCCC(=O)NCC(C)(C)c1ccccc1Cl 192109596 NRYSVKHMTNQONP-UHFFFAOYSA-N 277.795 3.537 30 20 CHED C=C(CN[C@@H]1CCc2c(cccc2OC)C1)c1ccccc1 425921202 PFBIBLLXSIMLMA-GOSISDBHSA-N 293.410 3.856 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)c1ccccc1[N+](=O)[O-] 80467024 RIVSUHGPSIAIQT-LLVKDONJSA-N 297.314 3.648 30 20 CHED C=C(Br)CN[C@@H](C)[C@H]1CC2CCC1CC2 382094580 JJRFFOBVBNFRDL-YWPUVAFDSA-N 272.230 3.699 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)c1ccc(OC(F)F)cc1 339972240 FWQAHFPGUKLWDO-SNVBAGLBSA-N 289.285 3.728 30 20 CHED CC[C@@H](C)NC(=O)[C@@H](C)S[C@@H](C)c1cccc(C#N)c1 190906557 DFXVYFCBOIYLRH-FRRDWIJNSA-N 290.432 3.656 30 20 CHED CC1(C)CCC(CC(=O)NCc2cccc(C#N)c2)CC1 337356784 BZSVERLKVKCLMX-UHFFFAOYSA-N 284.403 3.781 30 20 CHED C=C(CC)CNC(=O)c1cn(-c2ccccc2)nc1C(C)C 424870184 XQNOXITWYWDYNL-UHFFFAOYSA-N 297.402 3.692 30 20 CHED C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 335583558 IILPKPWASXXVIK-MFKMUULPSA-N 291.782 3.716 30 20 CHED CC[C@@H](C)n1nc(C(O)=Nc2ccnn2C(C)C)cc1C 330746612 UAIWDACIHICFJO-LLVKDONJSA-N 289.383 3.576 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(c3c(F)cccc3F)CC2)C1 336527890 IGGWEQGXZNKNIH-JSGCOSHPSA-N 290.357 3.836 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCCc1ccc(F)cc1 516191761 KKGJWACREGFSPQ-KRWDZBQOSA-N 290.382 3.593 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 334726350 UBSZWWAGMLZYIJ-FVMDXXJSSA-N 297.383 3.662 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCCc2ccc(F)cc21 424807783 FXTOFOQRXAWCFK-OAHLLOKOSA-N 275.367 3.922 30 20 CHED CO[C@@H]1CC[C@H](/N=C(/O)c2cc(C(C)C)oc2C)C1 330615402 CJMRIOTZLZBOOH-NWDGAFQWSA-N 265.353 3.584 30 20 CHED C=C(C)CN(CC)C(=O)CSc1ccc(C)c(C)c1 97603070 HPEASTLEMISQIV-UHFFFAOYSA-N 277.433 3.820 30 20 CHED Cc1ccc2c(CCNCc3ccc(C#N)s3)c[nH]c2c1 237884804 PUQBXLHRPZYBTN-UHFFFAOYSA-N 295.411 3.742 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc(CC#N)c1 334739801 GZWKEHYVXPSUPI-XJKSGUPXSA-N 285.391 3.795 30 20 CHED C[C@@H]1CC2(CCC2)CN1c1ccc(C(F)(F)F)c(C#N)n1 336914708 ARRIPLSIOZONIS-SNVBAGLBSA-N 295.308 3.741 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(F)c(F)c1 98077562 JCEGWQRBKRGDQS-UHFFFAOYSA-N 289.281 3.814 30 20 CHED C[C@H](C#N)CN(C)Cc1csc(Cl)c1Cl 432745560 VEIDYDIXWVSTAQ-SSDOTTSWSA-N 263.193 3.646 30 20 CHED Fc1ccc(C#CCNc2cc(F)ccc2F)cc1 433440377 AUCFNPLZXKWIJK-UHFFFAOYSA-N 261.246 3.568 30 20 CHED C=C(C)CCc1noc(-c2ccc(-c3cc[nH]n3)s2)n1 347203145 BOXNDNVXUDWIBD-UHFFFAOYSA-N 286.360 3.697 30 20 CHED Cc1sc(NC(=O)[C@H]2CC[C@@H](C)C2)c(C#N)c1C 345234851 VQDDBAJCXCEEOJ-KCJUWKMLSA-N 262.378 3.611 30 20 CHED C=CCC(CC=C)C(=O)NCc1cccc2cc[nH]c12 341953767 SRXMECUEBZGRDG-UHFFFAOYSA-N 268.360 3.553 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SC[C@H](C)C(F)(F)F 439030022 YIOYVOIGORMUQF-WDEREUQCSA-N 297.386 3.731 30 20 CHED Cc1ccccc1[C@@H](NCc1cccc(C#N)n1)C1CC1 602544271 HEEMPKRKEICHBW-SFHVURJKSA-N 277.371 3.503 30 20 CHED C[C@H]1CC[C@@H](C)N1CC#Cc1ccc(OC(F)(F)F)cc1 438536015 ULPANHCRPUOBON-BETUJISGSA-N 297.320 3.810 30 20 CHED C=CC[C@@H](C)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 602549477 COPXCWXILWBMFZ-SECBINFHSA-N 288.269 3.668 30 20 CHED 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CVFGSOHCCKFWOL-UHFFFAOYSA-N 287.407 3.749 30 20 CHED N#CC1(COC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCC1 802765913 RTDXEZMYVHPMGB-SOUVJXGZSA-N 275.392 3.830 30 20 CHED C=C(C)CNC(=O)NCCCCc1ccc(Cl)s1 560106092 UTDNNALKCMUGGQ-UHFFFAOYSA-N 286.828 3.600 30 20 CHED C=CCOCCCN1CC[C@H](c2ccc(Cl)cc2)C1 470778209 CRKWVRALXRRYOO-HNNXBMFYSA-N 279.811 3.722 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@@H]1[C@@H](C)CCC 563654783 FQMGTDSLBCFEQY-DZGCQCFKSA-N 288.439 3.747 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCC(C1CC1)C1CC1)CC2 562794540 ABZYNICNOFTIPJ-GOSISDBHSA-N 266.388 3.571 30 20 CHED C=CCn1c(CCCC)nnc1N1CCC[C@@H]1C1CCC1 564256217 UWCQGUQADYFDLI-OAHLLOKOSA-N 288.439 3.576 30 20 CHED COc1cccc(O)c1/C=N\C[C@H](C)c1ccccc1 812396730 YCIOFTNFKIQKAL-CYUIRQCWSA-N 269.344 3.623 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2ccn(C)c2c1 488526580 ZUWMNMIHKGXXCY-OAHLLOKOSA-N 283.375 3.751 30 20 CHED C#C[C@@H](NC(=O)/C=C(/C)CCC)c1ccc(Cl)cc1 811944994 MGPRXTFRTSHACP-QYMJWVLRSA-N 275.779 3.877 30 20 CHED CC[C@](C)(C#N)C(=O)OC[C@H](C)C1CCCCC1 815244533 GNYQDYHRDFJITF-SWLSCSKDSA-N 251.370 3.686 30 20 CHED Fc1cccc(F)c1-c1n[nH]cc1C=NOCCC1CC1 814245894 MKTQRTPIJQRFEP-UHFFFAOYSA-N 291.301 3.506 30 20 CHED N#Cc1cccc(NN=Cc2cccc3cccnc23)c1 818273352 YPNGHNQIFNOWBR-UHFFFAOYSA-N 272.311 3.552 30 20 CHED CC(=O)c1ccc(OCc2cccc(F)c2C#N)c(C)c1 488284250 VEFCCOMFFJPPQD-UHFFFAOYSA-N 283.302 3.787 30 20 CHED C#CC[C@H](N[C@@H](C)c1ccc(OC)c(O)c1)c1ccccc1 810228912 NQWLXUQZIFAVEN-YOEHRIQHSA-N 295.382 3.816 30 20 CHED CCC(=NN[C@H]1CCCC1(C)C)c1ccc(F)cn1 814917709 PELUTYMNVAFKOC-AWEZNQCLSA-N 263.360 3.503 30 20 CHED CC(=NOCCC1CC1)c1[nH]c(-c2ccccc2)nc1C 814247232 XFKCTJIYSSPEHA-UHFFFAOYSA-N 283.375 3.926 30 20 CHED Oc1cccc(C=NOC2CCCCC2)c1Cl 814909822 LEOVEIVJNQBEAR-UHFFFAOYSA-N 253.729 3.729 30 20 CHED C#Cc1ccc(CNC(C)(C)c2ccccc2F)cc1 814178588 WDTICMBSYQXCIZ-UHFFFAOYSA-N 267.347 3.832 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(Cl)c(N)c1 814814986 IACDOVNRXVNGKZ-NSHDSACASA-N 287.794 3.997 30 20 CHED C=C(C)CN(C)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C 650528251 YVDHQZCZSPYBRK-UHFFFAOYSA-N 298.390 3.529 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC(C1CCC1)C1CCC1 573550773 ISSCCDLSHOHGRD-UHFFFAOYSA-N 297.402 3.957 30 20 CHED C[C@@H](C#N)OC(=O)[C@H](C)c1c(Cl)cccc1Cl 726027885 CZCCRONMAZAUOY-JGVFFNPUSA-N 272.131 3.552 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)cc1F 811689322 ZCMAJLOFUKSCKN-ALCCZGGFSA-N 299.276 3.741 30 20 CHED Fc1ccc(NN=Cc2cccnc2Cl)c(F)c1F 814945841 SVUHZVPNEUTAOC-UHFFFAOYSA-N 285.656 3.598 30 20 CHED C=CC[C@@H](C)C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 727779605 LZMHHUZIAKSBOY-SECBINFHSA-N 292.295 3.503 30 20 CHED C=CCC1(C(=O)Nc2nc(C)cc(C3CC3)n2)CCCC1 579564863 CKCBORTWJLKQOR-UHFFFAOYSA-N 285.391 3.737 30 20 CHED CC(C)(C#N)CCCCOc1nnc(-c2ccccc2)o1 576455003 DLUIYUXOSUBAAV-UHFFFAOYSA-N 285.347 3.835 30 20 CHED C#CCCCOC(=O)c1cc2c3ccccc3n(C)c2s1 727042097 UMJFKOGRARDVRL-UHFFFAOYSA-N 297.379 3.963 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@H]1C[C@H]3CC[C@H]1C3)CC2 577090314 LPWHTLMZBKVQRQ-BWUSGFMJSA-N 266.388 3.571 30 20 CHED CCCC[C@@H]1CCC[C@H]1/N=C/c1ccc(O)c(O)c1O 727781879 ZHQOQWKIQRUCSM-MXNRISGCSA-N 277.364 3.581 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(F)cc1F 576978077 VZQXUAVQJSNXHK-CMPLNLGQSA-N 282.334 3.680 30 20 CHED CC[C@H](C)[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 728711555 FKKIUFLKAWYMPA-MJBXVCDLSA-N 260.381 3.502 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC[C@H]1CC)c1ccccc1 499196047 VGGPZLXMQBLVLC-GDBMZVCRSA-N 272.392 3.578 30 20 CHED Cc1ccc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)o1 726426033 NWYCYPMIWROFIR-UHFFFAOYSA-N 293.248 3.925 30 20 CHED C=C(C)CNC(=O)c1cccc(-c2c(F)cccc2F)c1 490042332 OMRCARJQLQUKPH-UHFFFAOYSA-N 287.309 3.938 30 20 CHED CCCCN(C(=O)C#CC(C)C)[C@H](C)c1ccc(C)o1 824587008 JJEBNLDMTHKHKX-OAHLLOKOSA-N 275.392 3.937 30 20 CHED CCN(Cc1ccc(OC)cc1)C(=O)CCCCCC#N 588279271 GWLDFVLYFBCLOA-UHFFFAOYSA-N 288.391 3.518 30 20 CHED C[C@@]1(CNC2(c3cccc(C#N)c3)CC2)CC1(Cl)Cl 828691386 BWYVZVMZAFADRK-ZDUSSCGKSA-N 295.213 3.721 30 20 CHED CC(C)(CCC#N)CNc1ccc(NC(=O)O)cc1 823886393 SBZTWKHLKFRSLQ-UHFFFAOYSA-N 261.325 3.518 30 20 CHED Cc1csc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 824751274 SZOJJGCEWPSWPH-CYBMUJFWSA-N 286.400 3.637 30 20 CHED C=CC[C@H](NC(=O)N(CC(C)C)C1CC1)c1ccncc1 734681193 UFRSBEZTWMVKRP-INIZCTEOSA-N 287.407 3.529 30 20 CHED CC(=NNc1nccnc1Cl)c1ccc(Cl)s1 733078941 OBMWDMIBVUJTLY-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C=C[C@H](CC)CC(=O)OCc1cccc(C(C)=O)c1 904044249 LUVMAEGYCBDZAZ-CYBMUJFWSA-N 260.333 3.535 30 20 CHED Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(Cl)cc1C#N 734833048 QIFFHAJVDLMPMP-INIZCTEOSA-N 298.777 3.800 30 20 CHED N#CCCCCOC(=O)c1ccc(Cl)c2occc12 909548262 WHVZCOBVPPCUGB-UHFFFAOYSA-N 277.707 3.937 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 731322401 XYQJHMANVCACIA-RUDMXATFSA-N 285.274 3.938 30 20 CHED CC1CCC(=CC(=O)N(C)c2cccc(C#N)c2)CC1 734101868 NUUHVQBBRIQSMJ-UHFFFAOYSA-N 268.360 3.658 30 20 CHED N#Cc1cccc(C(=O)NCc2ccc(C3CCC3)cc2)c1 495157116 MCFIKCMCDQEANG-UHFFFAOYSA-N 290.366 3.756 30 20 CHED CSC[C@@](C)(C#N)NC(=O)C[C@@H](C)CCC=C(C)C 582666871 BDUWPSJTIIFNPV-DZGCQCFKSA-N 282.453 3.520 30 20 CHED C=CCC[C@H](NCc1c(CC)oc2ccccc12)C(=O)O 901689874 HOZQYDFLCPLFKQ-AWEZNQCLSA-N 287.359 3.504 30 20 CHED O=C(C1CC=CC1)N(O)Cc1cc(Cl)cc(Cl)c1 900096433 DHKMUNTWZVFTGF-UHFFFAOYSA-N 286.158 3.677 30 20 CHED CC(C)[C@H](NCC(C)(C)C#N)c1cc(F)ccc1F 903101887 OPXSWKRPZAMJKA-AWEZNQCLSA-N 266.335 3.801 30 20 CHED C[C@@H](SCC1(C#N)CCC1)C(=O)Nc1cccc(F)c1 581657327 RJURUPYNGQTYKX-LLVKDONJSA-N 292.379 3.580 30 20 CHED Cc1ccc(F)c(COC(=O)[C@]2(C#N)CC23CCCC3)c1 837902528 MLOOFCMMVKTEHQ-QGZVFWFLSA-N 287.334 3.651 30 20 CHED CCC(=NOCCC(F)(F)F)c1ccsc1 834973459 WTPWPHQDCQBZBD-UHFFFAOYSA-N 251.273 3.831 30 20 CHED C=C(C)C[C@H](C)c1nc(-c2nccnc2SCC)no1 580262919 VGDDQDHILPLQLT-JTQLQIEISA-N 290.392 3.708 30 20 CHED C#CCCOc1ccc(CNCCC2CC(F)(F)C2)cc1 835062106 YIYJXRASNGLAEN-UHFFFAOYSA-N 293.357 3.614 30 20 CHED COc1ccc(C(=O)/C=C/c2cncn2C(C)C)c(C)c1 901520894 ZOVASRSEDVNQDT-VMPITWQZSA-N 284.359 3.677 30 20 CHED CCC(COC)=NNc1cccc(C(F)(F)F)c1 735971293 XDQSNQOUFIYUSE-UHFFFAOYSA-N 260.259 3.530 30 20 CHED CCCC(=NNc1cncc(Cl)n1)C1CCCC1 834938938 UALHWINTPPSIMS-UHFFFAOYSA-N 266.776 3.888 30 20 CHED C=C[C@H](CC)Cc1nc([C@@H]2CCCCS2)no1 904028509 GBPZUERHWLNDQC-MNOVXSKESA-N 252.383 3.783 30 20 CHED C[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 839054380 NZCCJILDHXHLFM-SLEUVZQESA-N 275.323 3.555 30 20 CHED O=C(O)c1ccc(NN=C2CCC3(CC2)CC3)cc1F 835008923 LFBYRUBXLJEADZ-UHFFFAOYSA-N 276.311 3.646 30 20 CHED Cc1cc(/C=C\C(=O)c2cnn(C)c2C)ccc1Cl 588410362 JQTIINVKUHPYHX-ALCCZGGFSA-N 274.751 3.586 30 20 CHED C[C@@H]1CCCC(=NN=c2cc[nH]c3ccccc23)C1 730146592 BTDGOGHHBBBKET-GFCCVEGCSA-N 253.349 3.635 30 20 CHED CC/C(C)=C/C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 835454808 JAECBFFDIRMIKC-LAHYYIKRSA-N 282.265 3.633 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(C(C)(C)C)n[nH]1 582340337 WZTAVIZVORXUOG-ZDUSSCGKSA-N 296.418 3.772 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1ccc(F)c(F)c1 835261381 VJOCFRPFWBLVSM-SECBINFHSA-N 254.276 3.781 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H]2NCC[C@H]2C1 831706086 PUKRGCPNSBNBGR-IRXDYDNUSA-N 294.483 3.728 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)NCC(C)(C)CC#N 837887512 DTRHEZXOXPVBKV-FMIVXFBMSA-N 290.794 3.799 30 20 CHED C=CC[C@H](NC(=O)C=C(C1CC1)C1CC1)c1ccncc1 734458463 ZSBUNFJDQKWTPU-KRWDZBQOSA-N 282.387 3.561 30 20 CHED C=CCOc1ccc(-c2nc(-c3cccc(N)c3)no2)cc1 731800493 UJOPRMMXQDNMAI-UHFFFAOYSA-N 293.326 3.551 30 20 CHED CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 835038046 UCXRGCYSWMCMBQ-KGLIPLIRSA-N 297.402 3.822 30 20 CHED C=C(CNc1ncnc2ccc(F)cc12)c1ccccc1 673461434 LHZVSIQZKTYVOV-UHFFFAOYSA-N 279.318 3.894 30 20 CHED C#CCC[C@H](C)OC(=O)/C(C)=C\c1ccc(OC)c(F)c1 839042314 JWQKORGNQLOKOC-UKVQZPPCSA-N 290.334 3.583 30 20 CHED C#CC[C@H](OC(=O)c1cc2ccccc2nc1C)C1CC1 835210298 POXKDCZNGDPXAL-KRWDZBQOSA-N 279.339 3.502 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)[C@@H](C)C#N 839367067 OFWRAGMUKNPLPP-RNKPRXRFSA-N 297.185 3.767 30 20 CHED Cc1ccc(OCCC(=O)Oc2ccc(C#N)cc2)cc1C 912975213 MCQVMHCODMEBJT-UHFFFAOYSA-N 295.338 3.550 30 20 CHED O=C(O)c1ccc(NN=CC2CCCCC2)cc1F 835009834 FAEJKBSEBYYTQA-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](CCC(C)C)C(C)(C)C 593473365 BGQRRKKWFKKFCP-CHWSQXEVSA-N 252.402 3.503 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc2c(c1)OCCO2 916255123 CCZMNBFRWMVHEU-UHFFFAOYSA-N 282.343 3.602 30 20 CHED N#CCCC1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 592135997 XONGNJZNHYUPCL-DLBZAZTESA-N 272.367 3.697 30 20 CHED CC(=NNc1ccc(Cl)nn1)[C@H](C)c1ccccc1 746366206 KAUQWFRXNKEJRG-JTQLQIEISA-N 274.755 3.722 30 20 CHED N#Cc1ccc(CCOc2ccc([C@H]3CCOC3)cc2)cc1 596275773 BOSDXZVHEGEZAH-SFHVURJKSA-N 293.366 3.684 30 20 CHED C#CCCc1noc([C@@H]2C[C@H]2c2ccc(Cl)cc2)n1 842492603 XOZLJCAVNYRNRI-QWHCGFSZSA-N 272.735 3.560 30 20 CHED CCC1CCC(CNC(=O)N2CCC[C@@H](CC#N)C2)CC1 595506751 LHSPQXFXKGZRLS-GPANFISMSA-N 291.439 3.538 30 20 CHED CCON=C[C@H](C)c1cccc(Br)c1 747629915 NTVPELYAGVAQSB-VIFPVBQESA-N 256.143 3.575 30 20 CHED Cc1cc(CSCCC2(C#N)CCCCC2)nn1C 591386148 QVMVQLMKNAPVDW-UHFFFAOYSA-N 277.437 3.826 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccc(SC)cc1)C(C)C 740647698 PLWHJHSPGNPSNU-CYBMUJFWSA-N 293.432 3.599 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/Cc2cc(Cl)ccc2C1=O 849245190 PFGIIAQCUFUKIE-WQLSENKSSA-N 298.773 3.773 30 20 CHED C=CCCSCCNC(=O)c1cc2cccc(C)c2o1 597973307 ZOHSCXOFNCFMLX-UHFFFAOYSA-N 289.400 3.780 30 20 CHED Clc1ccc(C#CCSc2nccs2)cc1 749134252 HOUHMDICLOBAIM-UHFFFAOYSA-N 265.790 3.940 30 20 CHED CCn1c(CCNc2ccc(C#N)cc2)nc2ccccc21 744180597 UIKYEQDDHHTZAP-UHFFFAOYSA-N 290.370 3.582 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1cc2ccccc2o1 916240623 ILSFVYYEFXJHBN-UHFFFAOYSA-N 294.310 3.967 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)/C=C\C1CCCC1 843609543 YTIGNAGQALQVFP-FYGXRCCRSA-N 294.398 3.798 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCc2ccccc2C1 683835627 YDOBRDZBKJUJGK-CRAIPNDOSA-N 298.430 3.542 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 592600084 KMYFKYVCEZLARR-WMLDXEAASA-N 282.387 3.872 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C[C@H]1CCCO1 917870749 FDCOBWLOBOXTKL-HUUCEWRRSA-N 269.429 3.668 30 20 CHED Cc1ccc(CNC[C@@H](C#N)CCC#N)c2ccccc12 591377315 FMAVSLLROJCQGJ-OAHLLOKOSA-N 277.371 3.681 30 20 CHED N#CCC1(COc2ccc(OCC3CC3)cc2)CC1 596253876 XYRVFECABRQANR-UHFFFAOYSA-N 257.333 3.548 30 20 CHED Cc1ccc(C=NNc2ccc(C(C)(C)C)cc2)nn1 841634222 RHXAXOWLTPQLEW-UHFFFAOYSA-N 268.364 3.529 30 20 CHED C=CCN(C(=O)NC[C@@H](C)Sc1ccccc1)C(C)C 745901267 DWRAVBRZKJJKBI-CQSZACIVSA-N 292.448 3.773 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccnn2CC(C)C)c1 843269825 ULIZYYURIWRUPW-HJWRWDBZSA-N 298.386 3.834 30 20 CHED C[C@H](OC(=O)[C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 744102755 YHWVKYGLFXPWFS-WWGRRREGSA-N 271.360 3.989 30 20 CHED Cc1cccc(CCC(=O)OCc2ccc(C#N)cc2C)c1 748920135 GVHHEYUCBBAITE-UHFFFAOYSA-N 293.366 3.851 30 20 CHED C=CCC[C@@H](C(=O)N1CCC(F)(F)CC1)c1ccccc1 684522346 WZWUFVCEBSKVNW-OAHLLOKOSA-N 293.357 3.994 30 20 CHED CC1(C#N)CCC(=NNCc2ccc(F)c(F)c2)CC1 848416082 YHRBSTGRMKQQDS-UHFFFAOYSA-N 277.318 3.514 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)c1coc(C(C)C)n1 844552189 JRLWDMQVYMEQGI-AATRIKPKSA-N 287.363 3.547 30 20 CHED Cc1ncc(C=NNc2ccc(Cl)c(F)c2)s1 747636814 UPWBDPBVYDFNRR-UHFFFAOYSA-N 269.732 3.690 30 20 CHED Cc1cccc2c(CCN[C@@H](C)CC(C)(C)C#N)c[nH]c12 925136166 HZNVMRUZCSLOKR-AWEZNQCLSA-N 283.419 3.937 30 20 CHED CCCCCCCC[S@](=O)Cc1cc2n(n1)CCCC2 844653407 FZTIXYQCKMBUBO-FQEVSTJZSA-N 296.480 3.829 30 20 CHED Cc1ccc(COC(=O)c2cc(C#N)cs2)cc1C 758503106 CDRRYDXNYGZSCP-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(-c2ccccc2OC)[nH]n1 682404040 VVOVHCDNTHTINA-KRWDZBQOSA-N 299.374 3.626 30 20 CHED C#Cc1cccnc1N[C@@H]1CCC[C@H](SCC)C1 853405782 BQMBCQBEYDEPPP-KGLIPLIRSA-N 260.406 3.539 30 20 CHED COc1cc(F)cc(NN=C2CCc3ccc(F)cc32)c1 759210139 NVUSLBVIVGJZDU-UHFFFAOYSA-N 288.297 3.736 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1ccc(C)c(Cl)c1Cl 854705772 OSAVTIVNWQWXBL-AWEZNQCLSA-N 284.186 3.834 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C=C1\CC[C@@H](C)C1 753626793 UPYLZDAQIVFWIV-GMCKNXKJSA-N 287.334 3.523 30 20 CHED C=C[C@@H](OC(=O)[C@H](CC(C)C)OC)c1ccccc1 851451701 KYIPIYHBSPWOSI-CABCVRRESA-N 262.349 3.518 30 20 CHED CCC(=O)Nc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 926001120 WORJHQSYCKMNNA-LBPRGKRZSA-N 273.380 3.775 30 20 CHED CCCCS[C@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N 851211309 DMYQHRXRMBUJJY-NWDGAFQWSA-N 271.426 3.780 30 20 CHED CC[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccncc1 851084043 QRXXQSWPWKNXLM-OAHLLOKOSA-N 286.375 3.940 30 20 CHED Cc1cc(Cl)ccc1OC(=O)c1cc(C#N)cs1 752157715 BPBJOKKGOQGBPK-UHFFFAOYSA-N 277.732 3.801 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2sccc2[C@H]1C 929464884 SSKNHVFDTPKTEN-NEPJUHHUSA-N 263.406 3.796 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCc1cncs1 851141530 BAQPOEGKQYHJOC-OCCSQVGLSA-N 279.405 3.754 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(Oc2ccccc2)c1 753421561 CZYVUOHLDBYNLS-AWEZNQCLSA-N 281.311 3.938 30 20 CHED C[C@@H](NCCCCC1(C#N)CCC1)c1ccccc1O 931555319 XHONJOSDLHRWLI-CQSZACIVSA-N 272.392 3.907 30 20 CHED CC(=O)c1ccc(C#N)c(N2Cc3ccccc3[C@H](C)C2)c1 754001197 ZOZFKGBOZQMBMD-CYBMUJFWSA-N 290.366 3.885 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(OC(F)F)cc1F 935697586 MFOLRPUYLJHVLE-SNVBAGLBSA-N 299.292 3.608 30 20 CHED Cc1cccc2ncc(C=NNc3ccccc3Cl)n12 755471941 NBMZPZSAECZOMN-UHFFFAOYSA-N 284.750 3.742 30 20 CHED CC(C)(C)SCCCC(=O)OCCCCC#N 754279427 LPJAEKRYHGIBEF-UHFFFAOYSA-N 257.399 3.535 30 20 CHED C=C[C@H](CC)CC(=O)NCc1csc(-c2ccco2)n1 934850642 MELVMMQGTNKKGF-LLVKDONJSA-N 290.388 3.622 30 20 CHED Clc1ccc(NN=Cc2cnc(C3CC3)s2)cn1 761814201 ZOJCAWYBBDNSOE-UHFFFAOYSA-N 278.768 3.515 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc([C@H](C)CC)cc1 762722314 KRPJOAXTAKQKCJ-DOMZBBRYSA-N 258.365 3.622 30 20 CHED C#CCCCCCc1nc(-c2ccc3cc[nH]c3c2)no1 761770115 ATYZAQXFCFAYDU-UHFFFAOYSA-N 279.343 3.954 30 20 CHED CCN(CCCCC1(C#N)CCC1)Cc1ccncc1 930152735 MEQWAZZADNCWBL-UHFFFAOYSA-N 271.408 3.768 30 20 CHED C#CCN(C(=O)c1cc2c(Cl)cccc2s1)C1CC1 763799108 KUGAMGLYYPUGBR-UHFFFAOYSA-N 289.787 3.793 30 20 CHED Cc1ccc(F)c(NN=Cc2cn(C)nc2C(C)(C)C)c1 769587216 ZTONAQRBTYSYJO-UHFFFAOYSA-N 288.370 3.611 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2ccc(F)c(C)c2)cc1 767730908 STFXGUFNIUKAFR-WMZJFQQLSA-N 298.313 3.817 30 20 CHED CC(CCC1CC1)=NNc1ncnc2sccc12 768774321 RUUUYTRAKVCZHJ-UHFFFAOYSA-N 260.366 3.669 30 20 CHED C[C@@H](OC(=O)c1cnccc1Cl)c1ccc(C#N)cc1 762431192 ICQIVNSRIQLRSL-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)OC2CCCCCC2)c1 760504111 XGGQVNJNHBIQAZ-HNNXBMFYSA-N 299.414 3.759 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H](c2cccc(F)c2)C1 932058500 PBJQCGTWTCAQCG-ZFWWWQNUSA-N 275.367 3.744 30 20 CHED C=CCCCc1nc(Cc2ccc3ccccc3n2)no1 761629535 UGMSDCCSKGIPBX-UHFFFAOYSA-N 279.343 3.717 30 20 CHED CCCCCCCCNC(=O)N1CCOCC2(CCC2)C1 760127618 QTXCITOAVGQDTH-UHFFFAOYSA-N 296.455 3.559 30 20 CHED C=CCN(Cc1ccc(OC(F)F)c(F)c1)C(C)C 768547819 QOIUXNZDMOJYIN-UHFFFAOYSA-N 273.298 3.824 30 20 CHED Clc1cccc(Cl)c1NN=Cc1cc[nH]c1 763179697 KCJOTCSBAAJERX-UHFFFAOYSA-N 254.120 3.768 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc(C#N)s2)c1 762447620 QSXRHDSQGMHZGE-ZZXKWVIFSA-N 271.316 3.963 30 20 CHED CC#CCCOC(=O)c1cccc(-c2nc(C)cs2)c1 760284527 RFANUUSGSULQIE-UHFFFAOYSA-N 285.368 3.689 30 20 CHED C#CCN(C(=O)N[C@H]1c2ccccc2CCC[C@@H]1C)C1CC1 765890960 HZWKWENZRLEFNG-KBXCAEBGSA-N 296.414 3.507 30 20 CHED C=C(Br)CN(CCC)CCc1cccs1 766933004 SLTZOHUEFBZBDP-UHFFFAOYSA-N 288.254 3.911 30 20 CHED C#CCCCN1CCC(c2cc3ccccc3[nH]2)CC1 766896086 PDSKEBFKYWEXBN-UHFFFAOYSA-N 266.388 3.761 30 20 CHED CC(C)(C)c1nc(COc2cccc(F)c2C#N)co1 877879525 GWNHVSJSJZNHMH-UHFFFAOYSA-N 274.295 3.562 30 20 CHED CCCC(=NNc1ccn(C)n1)c1cc(C)sc1C 1118889064 BYRUZIHVCHPGMQ-UHFFFAOYSA-N 276.409 3.715 30 20 CHED N#CCOc1cccc(CNCc2ccc(C3CC3)cc2)c1 1117865747 GHOHVZWJHXZDMK-UHFFFAOYSA-N 292.382 3.756 30 20 CHED Cc1cccc(O)c1CN(Cc1ccc(C#N)cc1)C1CC1 876570564 GQJDGZZKRJFHDA-UHFFFAOYSA-N 292.382 3.737 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=Cc1cccc(C#N)c1 777447596 HYUGVXSJRMNZDH-LJQANCHMSA-N 291.398 3.749 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2cc(C)c(C)cc2C)c1 774115252 NSKOKHRGBYWLKF-WAYWQWQTSA-N 298.338 3.888 30 20 CHED C=CC[C@@H](N[C@H]1CCCc2occc21)c1ccncc1 774189856 LGCIYQXRROZIAF-CVEARBPZSA-N 268.360 3.959 30 20 CHED CSc1ccc(C(C)=NN=c2cc[nH]cc2)c(Cl)c1 779809823 VMDXSLPEORVGDG-UHFFFAOYSA-N 291.807 3.715 30 20 CHED CC(C)c1nccnc1NN=C1CC(C)(C)C[C@H]1C 773077784 IYVHHJVBVDRYMD-LLVKDONJSA-N 260.385 3.824 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@](C)(O)C1 775539453 MFAQEFDCDGZRPW-DOTOQJQBSA-N 283.456 3.747 30 20 CHED CCOCCON=Cc1ccc(-c2ccc(F)cc2C)o1 774422830 ORGVORHAUVOGCE-UHFFFAOYSA-N 291.322 3.781 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(C#N)c(F)c1 776770344 AEXJFFGYTPLEGE-UHFFFAOYSA-N 288.713 3.582 30 20 CHED COc1cccc(NN=Cc2csc(C(C)C)n2)c1 1115878445 PAKMFVDAHLZDDA-UHFFFAOYSA-N 275.377 3.721 30 20 CHED Cc1cc(C=NOC2CCCC2)c(C)n1-c1nccs1 774607842 IPZHWVFQAIFUMX-UHFFFAOYSA-N 289.404 3.844 30 20 CHED CCc1cccnc1C(C)=NNc1ccc(C)cc1 779752111 HCUWLFZLQRDFFA-UHFFFAOYSA-N 253.349 3.789 30 20 CHED CCc1ccc(-c2ccc(C(=O)OC[C@@H](C)C#N)o2)cc1 770928859 IBYZRVIBXYKCPA-LBPRGKRZSA-N 283.327 3.825 30 20 CHED C=C[C@@H](CC)OC(=O)/C=C\c1ccc2[nH]ccc2c1 776104989 NPVCCIDXLJXBPC-QPBFKRLHSA-N 255.317 3.689 30 20 CHED CC(C(=O)N1CCC(c2ccc(C#N)cc2)CC1)=C1CCC1 887700566 QWEIOVBKSDRNDJ-UHFFFAOYSA-N 294.398 3.765 30 20 CHED C#CCSCCN[C@@H](C)c1ccccc1SCC 773009565 BTNSYQHJNRJZQE-ZDUSSCGKSA-N 279.474 3.816 30 20 CHED C=CCCC(=O)O[C@H](C)c1cc(C)c(OC)cc1C 770022936 OKIURAHAKJEPSM-CYBMUJFWSA-N 262.349 3.882 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CCO[C@H](CC)C1 779944094 ZYLOMKCCKSQVRG-HUUCEWRRSA-N 269.429 3.668 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ccc(C(F)(F)F)nn1 773211088 ZARQVGVGUATQIS-GHMZBOCLSA-N 298.312 3.886 30 20 CHED C=CCC[C@H](NC(=S)NCC(C)C)c1ccccc1 771849290 DWQHEWVTAQEDBQ-HNNXBMFYSA-N 276.449 3.814 30 20 CHED N#CC1(COC(=O)c2ccc(Cl)c3occc23)CC1 1120417336 JMGFJBJXOKMODG-UHFFFAOYSA-N 275.691 3.547 30 20 CHED C[C@H](C(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CCC1 887699112 MYZOYIHIENYREZ-AWEZNQCLSA-N 296.414 3.700 30 20 CHED C#C[C@H](N[C@@H](C)c1cc2ccccc2s1)[C@@H]1CCCO1 783294236 IMXYESFKLVKWGR-QEJZJMRPSA-N 285.412 3.733 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1Cc2ccccc2S1 782267550 KORYHZCSQHFSOS-CQSZACIVSA-N 289.400 3.577 30 20 CHED Fc1cccnc1NN=C1CCOC2(CCCCC2)C1 884464443 POUWCFQJIAFTSB-UHFFFAOYSA-N 277.343 3.502 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1coc2ccccc12 780247728 UURLYPZKZGVRLQ-ZDUSSCGKSA-N 286.375 3.704 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1CC(F)(F)C(F)F 780384311 HEHRXZLDLXVFIL-BQBZGAKWSA-N 281.215 3.550 30 20 CHED C[C@@H]1CCCC(=NNc2nc(O)c3ccccc3n2)[C@@H]1C 781125955 XMWATYKDOMRAKP-GHMZBOCLSA-N 284.363 3.559 30 20 CHED CC1(C)CCC/C(=C/c2cc(C(=O)O)cs2)C1=O 782208340 YCHJIJMAPBIPPU-TWGQIWQCSA-N 264.346 3.609 30 20 CHED Cc1cc(-c2ncccc2NC(=O)C#CC(C)C)cs1 1120778222 OWPLBHZVIMUAIL-UHFFFAOYSA-N 284.384 3.716 30 20 CHED C=CC[C@H](C)NC(=O)N1Cc2ccccc2[C@H]1CC 1121876667 VOZNLHPGXCHPCN-SWLSCSKDSA-N 258.365 3.628 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)C1CCCCC1 780033466 BWBPHGGZSNAMJY-UHFFFAOYSA-N 277.751 3.835 30 20 CHED Cc1cc(F)ncc1CN[C@@H](CCC#N)c1ccccc1 893195325 XWLDLKZBYIQXHI-INIZCTEOSA-N 283.350 3.664 30 20 CHED C=CCCCCCOC(=O)c1nc(C)n2ccccc12 783808155 JXINGMZCHFBGJT-UHFFFAOYSA-N 272.348 3.546 30 20 CHED CCO[C@H](C)c1nc(COc2ccccc2C#N)cs1 76694080 NLHNWQXCLCDGFL-LLVKDONJSA-N 288.372 3.691 30 20 CHED C#C[C@H](CC)NCc1sccc1NC(=O)OC(C)(C)C 894387345 LXDIQGUACXLBGX-LLVKDONJSA-N 294.420 3.597 30 20 CHED Cc1cc(F)ncc1/C=C/C(=O)c1cnn(C(C)C)c1C 899368291 HPDZSAXHHCZYHT-AATRIKPKSA-N 287.338 3.511 30 20 CHED C#CCC1(C(=O)N[C@H](C)CCSCC)CCCCC1 788226671 CPNRVLCPGOGSCF-CQSZACIVSA-N 281.465 3.608 30 20 CHED Oc1ccc(Cl)cc1/C=N/C[C@@H]1CCC(F)(F)C1 797399352 WSJXMPWCYUIDGI-YFEDRJBBSA-N 273.710 3.900 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc(Br)s2)C1 185766296 VHYOEKRDDQLQRV-VHSXEESVSA-N 299.237 3.683 30 20 CHED CC(C)(CCC#N)CNCCCOc1cccc(F)c1 898444654 CWJJRYVQUAFYNR-UHFFFAOYSA-N 278.371 3.514 30 20 CHED C#CCCOc1ccc(CN(CC2CC2)C2CCC2)cc1 793395690 RJAKBGANDOGNBY-UHFFFAOYSA-N 283.415 3.853 30 20 CHED CCN(CCC#N)C(=O)c1cc2c(ccc3ccccc32)o1 1136353770 TUVKYIJGLFFLJD-UHFFFAOYSA-N 292.338 3.962 30 20 CHED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)C#N 796788183 WPKGUVINWGCNAD-GFCCVEGCSA-N 284.359 3.583 30 20 CHED CC(C)C[C@@H](C)COC(=O)C1(C#N)CCCCC1 798603765 GIBFQCVQLZMNNQ-CYBMUJFWSA-N 251.370 3.686 30 20 CHED N#CCC1(COC(=O)[C@H](F)CC2CCCCC2)CC1 796734387 SIMKMDBUJDMYLU-CYBMUJFWSA-N 267.344 3.532 30 20 CHED CN(c1cccc(C#N)n1)C1CC(C)(C)CC(C)(C)C1 710331850 ZSLHIXVNHPLFSU-UHFFFAOYSA-N 271.408 3.994 30 20 CHED CC(C)(C)c1ncc(CNc2cccc(C#N)c2)s1 62838800 MOISVWBWGYILEA-UHFFFAOYSA-N 271.389 3.924 30 20 CHED CC(C)(C#N)c1ccc(C(=O)O[C@@H]2C=CCCC2)cc1 796040900 UWOSIHNDVDRTMM-OAHLLOKOSA-N 269.344 3.753 30 20 CHED COc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c(Br)c1 799723445 JGPKKUHXYHUGAY-NXEZZACHSA-N 295.180 3.562 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2ccnc(F)c2)c1 794722975 ZSVDJPHFYIHGDA-ARJAWSKDSA-N 255.292 3.734 30 20 CHED COCCC[C@@H](Cc1ccccc1)/N=C\c1ccccc1O 794834106 QROLGUOSKLONPW-BAOGPQIGSA-N 297.398 3.849 30 20 CHED C#CCCCNC(=O)Nc1cc(Cl)c(Cl)cc1F 799242921 NALLSEBGNZTFCN-UHFFFAOYSA-N 289.137 3.667 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc(OCC)cc1 798374903 CZFVWMMJWKSDJM-LBPRGKRZSA-N 278.421 3.726 30 20 CHED CN(c1ncccc1C#N)C1CC(C)(C)CC(C)(C)C1 693074612 HDXBQOYWUXMANZ-UHFFFAOYSA-N 271.408 3.994 30 20 CHED COCc1cccc(CNc2ccc(Cl)c(C#N)c2)c1 88553226 GUZGVJPKUGOQON-UHFFFAOYSA-N 286.762 3.970 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1F 1219050042 NAKBICDOPQPKNM-CHWSQXEVSA-N 289.354 3.645 30 20 CHED Cc1ccc2c(c1)N(CCc1ccc(C#N)cc1)C[C@H](C)O2 1307520387 HJDMEGCALCGFJT-HNNXBMFYSA-N 292.382 3.697 30 20 CHED N#Cc1cnc(Oc2cc(F)cc(Cl)c2)c(F)c1 1163808917 YHIKDANHYZYAPB-UHFFFAOYSA-N 266.634 3.677 30 20 CHED C[C@@H]1C[C@H](CCNc2cc(C#N)cnn2)CC(C)(C)C1 1163192403 WODRLNZCSUINTR-OLZOCXBDSA-N 272.396 3.613 30 20 CHED C[C@@H](COCc1ccccc1)CSc1cc(C#N)ccn1 1165519615 GQAJYVDFTVDRTH-AWEZNQCLSA-N 298.411 3.898 30 20 CHED N#Cc1ccccc1OCc1nnc(C2CC3(CCC3)C2)o1 1327837549 PNFOAPTYGAWRHN-UHFFFAOYSA-N 295.342 3.568 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)s2)C1 1326169263 BFBVONIYVGSAMG-GXTWGEPZSA-N 296.395 3.837 30 20 CHED Cc1c(C#N)cccc1C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 1321406411 TUONWEXFDTWVQA-BDJLRTHQSA-N 294.354 3.513 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNCC1CCOCC1 1321885948 HGBULIUJLZMGDB-UHFFFAOYSA-N 288.435 3.746 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1c(C#N)cccc1C#N 1320813454 NMJHPOALCDYMHE-SJLPKXTDSA-N 273.339 3.572 30 20 CHED C(=NNC1CCOCC1)C1CCC(c2ccccc2)CC1 1321331849 IGRSAOGYURBZFL-UHFFFAOYSA-N 286.419 3.715 30 20 CHED C=CCC(C)(C)c1nnc(CCOc2ccccc2)o1 1333122675 ULOUOPNZUAJXKH-UHFFFAOYSA-N 272.348 3.545 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cc(Cl)c(Cl)cc1O 1339276204 OJRWJYYOXUSJNA-DTWKUNHWSA-N 290.190 3.551 30 20 CHED CCN(Cc1ccc(OC)c(C#N)c1)Cc1ccccc1F 1253976692 YEEHURZWSOBCEK-UHFFFAOYSA-N 298.361 3.728 30 20 CHED Cc1nscc1C(=O)N(c1cccc(C#N)c1)C1CCC1 1333648600 XOFVTFBEQJIMIH-UHFFFAOYSA-N 297.383 3.523 30 20 CHED Cc1ccc(COC(=O)c2cccc(C#N)c2C)cc1 1268956588 CJAWMXBWAVPKBF-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CC(C)[C@H](C)C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1349760850 ULSRJIYZDLWTGI-UWVGGRQHSA-N 289.766 3.685 30 20 CHED COc1cc(C#N)ccc1C(=O)Nc1cccc(C(C)C)c1 1349016050 WFLGPVIUGGVVAG-UHFFFAOYSA-N 294.354 3.943 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1csc(C#N)c1 1347812450 BIWCHDYVESXIEF-FZMZJTMJSA-N 276.405 3.661 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C2CCC2)n1CC 1356388156 MERBWWVPWIRHDZ-CQSZACIVSA-N 274.412 3.501 30 20 CHED CCC1(C(=O)Nc2cc(C#N)cc(C)n2)CCCCC1 1436506731 LOWKYJCAUODKMC-UHFFFAOYSA-N 271.364 3.561 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)cc1F)C1CCCC1 1436676844 WKKMTFRNDPNKKY-INIZCTEOSA-N 288.366 3.786 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)C(C#N)(CC)CC)n1 1288113577 WQJUVSOPRQPUIX-GFCCVEGCSA-N 289.379 3.527 30 20 CHED COc1ccccc1[C@@H]1C[C@H]1Nc1cc(C#N)cc(Cl)n1 1515892260 RAVHGNSAAZMXLN-QWHCGFSZSA-N 299.761 3.583 30 20 CHED C[C@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(OCC#N)c1 221888605 GCLUZWATQWXFFB-WWGRRREGSA-N 258.365 3.826 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1cnc2ccccc2n1 1458441735 GHEAFZWETVFDLU-CYBMUJFWSA-N 288.354 3.699 30 20 CHED C[C@H](C#N)N(C)C(=O)c1cc2c(ccc3ccccc32)o1 1527366356 WURKRDUQZXKEBT-LLVKDONJSA-N 278.311 3.570 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C 1532097090 PVCKNKAIHVGBKV-FRRDWIJNSA-N 251.370 3.684 30 20 CHED Cc1c(C)c(C)c(CN2CC[C@@](F)(C#N)C2)c(C)c1C 1617231394 JQDXXFHEZJXOFR-QGZVFWFLSA-N 274.383 3.666 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]2c2ccc(F)cc2)sc1Cl 1612314319 WCCHEXKJHGVJQA-VHSXEESVSA-N 293.754 3.775 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)c2ccccc21 1624876028 LNSYGKSVJQQUAC-CYBMUJFWSA-N 291.354 3.908 30 20 CHED N#CCc1ccccc1C(=O)Nc1cccc(C(F)F)c1 1631951841 VDFBNMJOGXPZIA-UHFFFAOYSA-N 286.281 3.943 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@H](C2CCCC2)C1 1646293539 QQELUBBYWGHWGD-INIZCTEOSA-N 284.403 3.579 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc2cc(C(=O)O)oc2c1 1573347842 OWQLMXROJCCPDQ-JTQLQIEISA-N 288.299 3.639 30 20 CHED COc1c(Oc2cccc(C#N)n2)ccc2ccccc12 1651074403 DLVVEWOKEZLKQR-UHFFFAOYSA-N 276.295 3.907 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)c1nccc(C)c1C#N 1650798992 WISDWNVBCXBZTB-INIZCTEOSA-N 279.387 3.719 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)OCC1CCCCC1 1663729499 MZKCRDWJRBLWKY-KRWDZBQOSA-N 298.386 3.852 30 20 CHED CCC1(CNC(=O)Nc2ccc(C#N)c(F)c2)CCCC1 1662466777 HZJQKYCNNROERY-UHFFFAOYSA-N 289.354 3.789 30 20 CHED Cc1csc(NC(=O)N[C@@H]2[C@@H](C)CCC[C@H]2C)c1C#N 1671134654 VOXNRSQOJQDJAS-IWIIMEHWSA-N 291.420 3.874 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)N(C)CC(C)(C)C#N)c1 1679678368 KDXWEGVQEZNFTH-CQSZACIVSA-N 287.407 3.556 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCc1ccc(C#N)s1)C2 134011034 MAGCFIVLMXJJGG-PEYYIBSZSA-N 274.433 3.924 30 20 CHED C=CCCC1(C(=O)O)CCN(CC2CCC(C)CC2)CC1 1776168211 JVFZJNPZDPMCFN-UHFFFAOYSA-N 293.451 3.946 30 20 CHED C=C(C)CCCN1[C@H](C(=O)O)CC[C@H]1c1ccccc1 1776138654 UPYBTLYRNGRGMK-HOTGVXAUSA-N 273.376 3.633 30 20 CHED N#CCc1ccc(NC(=S)Nc2ccccc2F)cc1 18145492 JBIWCMBSGCVYQS-UHFFFAOYSA-N 285.347 3.701 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N(CC)C(C)C 162604540 CQGTYCOWVNLYCK-UHFFFAOYSA-N 274.408 3.567 30 20 CHED C=CCn1c(SC(C)C)nnc1-c1ccccc1C 158099090 UGPBMDZAWOWEAP-UHFFFAOYSA-N 273.405 3.940 30 20 CHED C[C@H]1CCCN(c2nc(-c3cccc(C#N)c3)cs2)C1 158362378 HHIPYOSTKJANEO-LBPRGKRZSA-N 283.400 3.918 30 20 CHED CCc1noc(C)c1CN(Cc1ccc(C#N)cc1)C(C)C 163197724 AZLLEQQMAUDSFE-UHFFFAOYSA-N 297.402 3.828 30 20 CHED N#Cc1cccc(CNCC2(c3cccc(F)c3)CC2)c1 152672469 JFAGWCCNJDBSET-UHFFFAOYSA-N 280.346 3.519 30 20 CHED CC[C@@H](C)c1cc(C(=O)N(CC)c2ccc(C#N)cc2)on1 152110220 YWFLEVGOLLBGHC-GFCCVEGCSA-N 297.358 3.726 30 20 CHED C[C@H](CC#N)NC(=O)Nc1cccc(-c2cccs2)c1 159039760 XQHZCTOANGDCAZ-LLVKDONJSA-N 285.372 3.839 30 20 CHED CC1(C)OB(/C=C/c2cc(F)ccc2F)OC1(C)C 307133787 YOHZTQCIWAKPRG-BQYQJAHWSA-N 266.096 3.609 30 20 CHED C=CC[C@]1(O)C[C@H](/N=C(/O)c2ccc3ccccc3c2)C1 328578488 NFNBAQRECVTIMY-SAABIXHNSA-N 281.355 3.614 30 20 CHED C=C(Br)CN(C)[C@H]1CC[C@H](SCC)C1 76069755 LPPCMBUHNGBKSY-QWRGUYRKSA-N 278.259 3.501 30 20 CHED COc1ccc(C#N)cc1CNc1cc(C)ccc1F 130232400 UNZUMGAMYZHFFA-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@@H]1CC[C@@H](Nc2ccc(OCC#N)cc2)C[C@H]1C 252000843 ZXJOSSXNMJTHTN-UMVBOHGHSA-N 258.365 3.826 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(O)c1 37319315 BARYYDRUGUWIAE-OLZOCXBDSA-N 266.344 3.676 30 20 CHED C[C@@H]1CCN(Cc2ccc(Br)cc2C#N)[C@@H]1C 347048280 HTOBRBCTBFIXLX-GHMZBOCLSA-N 293.208 3.551 30 20 CHED N#Cc1ccc(NC(=O)CC(C2CC2)C2CC2)c(Cl)c1 400876073 UNZBXDZKAKSZHC-UHFFFAOYSA-N 288.778 3.976 30 20 CHED CC[C@@H](C)[C@@H](C)Nc1nc(C)c(C#N)cc1Cl 310183995 XYKIGTVEDZSRGA-RKDXNWHRSA-N 251.761 3.762 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@H](C)SC 347869534 MTMWHRPIOLQTEW-AWEZNQCLSA-N 277.433 3.733 30 20 CHED CC1(C)CCC[C@H](Nc2cccc(OCC#N)c2)C1 79975454 RZNAKCDHIVBLIZ-AWEZNQCLSA-N 258.365 3.970 30 20 CHED Cc1nc(Oc2cc(F)cc(F)c2)c(Cl)cc1C#N 394019847 IHFUNSGCQIQYFR-UHFFFAOYSA-N 280.661 3.986 30 20 CHED C=CCN(CC(=C)Br)CC1CCCCC1 732695389 IVIUMSCZOKYCJE-UHFFFAOYSA-N 272.230 3.963 30 20 CHED C[C@@H]1Cc2ccccc2N1Cc1ccc(CC#N)cc1 399069750 DATRQTKPHOSWLW-CQSZACIVSA-N 262.356 3.704 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccc2ncccc2c1 796631981 KSNZDTRLXDBDQK-UHFFFAOYSA-N 286.378 3.870 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 462258287 QVHCQKRUCFRGIG-BXKDBHETSA-N 262.740 3.586 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 7712428 AHPZXNXBAFNZRO-FPYGCLRLSA-N 289.237 3.769 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2cc(C#N)ccc2C)s1 102795568 VBQRDRXUBSAPLA-UHFFFAOYSA-N 299.399 3.901 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccccc1F 104542683 XJKNMKPJGZCMPA-UHFFFAOYSA-N 276.355 3.618 30 20 CHED CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCc2ccccc21 51034410 YQNUVHFUOIAVJX-GOSISDBHSA-N 290.366 3.512 30 20 CHED CSCc1cccc(NC(=O)C2(C#N)CCCCC2)c1 109233987 AAYZEWIDKKJYFK-UHFFFAOYSA-N 288.416 3.962 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1sccc1OC 105948121 INUWJCIHQFMNLM-UHFFFAOYSA-N 287.384 3.585 30 20 CHED C=C(C)CN(CC)C(=O)Cn1ccc2ccc(Cl)cc21 64701028 UWMDIHSVWWEQSV-UHFFFAOYSA-N 290.794 3.719 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1cccc(F)c1F 179912336 MHGLKGNICQUQTM-JTQLQIEISA-N 290.288 3.826 30 20 CHED C/C(=C\C(=O)O[C@@H](C)C(C)(C)C#N)c1ccc(F)cc1 178817164 YYXIYNRHKBNRCQ-ZKQHCESOSA-N 275.323 3.710 30 20 CHED CC[C@H]1c2ccsc2CCN1C(=O)C#Cc1ccccc1 174988650 UTOFVDIVYFHIJT-INIZCTEOSA-N 295.407 3.636 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCCCCc1cccs1 67272189 AFOCJVBPOKKYHI-HNNXBMFYSA-N 278.421 3.659 30 20 CHED N#Cc1ccccc1CSCc1nccn1C(F)F 175272324 GBYPBNSUEAUYLJ-UHFFFAOYSA-N 279.315 3.583 30 20 CHED CCCc1ccc(OC(=O)C2(C#N)CCCC2)cc1 176623297 OWSYDPOCLRNONY-UHFFFAOYSA-N 257.333 3.628 30 20 CHED Cc1ccccc1C(C)(C)CNc1ccc(C#N)nc1 301496761 CIDYSZKDJXMIAX-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=C[C@H](CC(=O)OCc1cnc(C)s1)c1ccccc1 179222482 WUJMKAXSFDGBRH-CYBMUJFWSA-N 287.384 3.855 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1ccc(C#N)cc1 130699779 FWHCQNAKBMEGPC-GFCCVEGCSA-N 258.365 3.503 30 20 CHED N#Cc1cc(F)c(N[C@@H]2C[C@H]2c2cccc(F)c2)c(F)c1 302850443 IMGKJGBOCUWOPN-SWLSCSKDSA-N 288.272 3.944 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1C)c1ccccc1 409667625 UXYDKODIQMKIHO-CWRNSKLLSA-N 257.377 3.651 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc2nc(C)sc2c1 69315822 PEDKQVZXDQFSAA-SNVBAGLBSA-N 290.388 3.524 30 20 CHED CCC(CC)C/N=C(/N)Nc1ccc(OC(C)C)cc1 304755577 MWCAMJKRLNMMAG-UHFFFAOYSA-N 277.412 3.637 30 20 CHED N#CCCCN(CCc1ccc(Cl)cc1)CC1CC1 116892629 IEOQZBVKBYALEX-UHFFFAOYSA-N 276.811 3.898 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 177632104 ISCDONOIZCPVBG-LIRRHRJNSA-N 294.398 3.998 30 20 CHED C=C(C)CN(CC)c1nnc([C@@H]2CCCC2(F)F)n1CC 1340949664 HERNUSDVWNRMQU-LBPRGKRZSA-N 298.381 3.603 30 20 CHED CS[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 172355281 BLNZXFNNSDYASK-HNNXBMFYSA-N 282.368 3.601 30 20 CHED C=CCN1CCC(N[C@@H](CC)c2cc(F)ccc2F)CC1 177907172 XURCPIANQKQIAB-KRWDZBQOSA-N 294.389 3.656 30 20 CHED CC[C@@H](CC(=O)OCCCC#N)c1ccc(C)cc1 172424809 OCSZEAOFXSLIIW-AWEZNQCLSA-N 259.349 3.726 30 20 CHED CCc1nnc(Oc2ccc(F)cc2F)c(C#N)c1CC 125019820 KZRLSRQRTJSPDG-UHFFFAOYSA-N 289.285 3.544 30 20 CHED CC1(C)CC[C@H](Nc2ccc(C#N)nn2)c2ccccc21 302008267 VDZMVPMEODQERK-HNNXBMFYSA-N 278.359 3.573 30 20 CHED CC[C@@H](CC#N)NC(=O)CCc1ccc(Cl)cc1Cl 183891121 OQLXGQPEEUHHIB-LBPRGKRZSA-N 299.201 3.734 30 20 CHED Cc1ccc(N(C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 180665138 ZUOAZUUUAXBDSC-OAHLLOKOSA-N 280.371 3.922 30 20 CHED CCC(CC)CN(CCC#N)Cc1nc(C(C)(C)C)no1 72692632 USOPIWODQTZDAX-UHFFFAOYSA-N 292.427 3.519 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1 33388091 MAUZGQVCAOWWHD-FLIBITNWSA-N 296.326 3.557 30 20 CHED CCc1ccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)cc1 124952413 WJSYDNNJYNLNNQ-CQSZACIVSA-N 294.398 3.980 30 20 CHED C=CCOc1ccc(C(=O)N(C)CCc2ccccc2)cc1 74373279 HYZTWHVSMYORKB-UHFFFAOYSA-N 295.382 3.566 30 20 CHED CC[C@@H](C)N(C(=O)c1cccc(C#N)c1)[C@H](C)CC 180520230 UMWCPAZFEGYHPU-CHWSQXEVSA-N 258.365 3.597 30 20 CHED Cc1ccc(NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 78314229 OJUUFZSAXGMWAB-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)cc2cccnc12 181938783 ROEMRQATEAOERS-UHFFFAOYSA-N 269.348 3.583 30 20 CHED CC[C@@H](CC#N)NC(=O)C[C@H](CC)c1ccc(C)cc1 183859726 NCENUULTJHZXJK-HOCLYGCPSA-N 272.392 3.687 30 20 CHED C[C@H](OC(=O)c1cc2cccc(F)c2o1)C(C)(C)C#N 124847967 ZTBHXGTXYRRRJK-VIFPVBQESA-N 275.279 3.667 30 20 CHED N#CCOc1cccc(N[C@H]2CCc3ccccc3C2)c1 37300691 UKAVTLKRNPECLG-KRWDZBQOSA-N 278.355 3.558 30 20 CHED C=C(C)CN(C)Cc1cc(Br)c(OC)s1 181051548 CEXFNWHBVLQKPW-UHFFFAOYSA-N 290.226 3.527 30 20 CHED CC1=CCC[C@H](C)[C@H]1CNCc1cccc(C#N)c1 479395611 HVVMTICAMQFDPX-YOEHRIQHSA-N 254.377 3.640 30 20 CHED CC(C)(C#N)C(=O)OCCCc1cccc2ccccc12 77109970 FLYOKIQTOGISFZ-UHFFFAOYSA-N 281.355 3.865 30 20 CHED C=CCn1c(C)nnc1SCc1ccc(F)c(Cl)c1 188770409 ONEQDGXLTJAVRU-UHFFFAOYSA-N 297.786 3.857 30 20 CHED C=CC1CCN(C(=O)c2cccc(Cl)c2F)CC1 153965979 IUXPORBCEAEODO-UHFFFAOYSA-N 267.731 3.517 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F 180150578 RDCNVIGZJOUOHD-ZJUUUORDSA-N 296.317 3.780 30 20 CHED C=CCCCCCN1CC[C@H](CN2CCCCC2)C1 488393695 DUGONQMPPZIATG-QGZVFWFLSA-N 264.457 3.541 30 20 CHED C[C@@H]1c2ccsc2CCN1c1snc(Cl)c1C#N 79864685 YOOIAWSUAFXFOW-SSDOTTSWSA-N 295.820 3.853 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 185688937 FKSHRBDRFYZOIK-WMLDXEAASA-N 287.378 3.929 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(C)(C)C#N 188943219 NOGROIJIZHIMBX-NEPJUHHUSA-N 292.810 3.840 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 75296452 IOMSBEDGMMWQLL-ZJPYXAASSA-N 296.414 3.721 30 20 CHED CC1(C)CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 509510526 UAQXMFPOMXMHED-GFCCVEGCSA-N 291.782 3.912 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccccc1OCC 503085695 PFUJNSCMBKOYLN-UHFFFAOYSA-N 295.382 3.914 30 20 CHED C[C@H](CCNC(=O)c1ccc(C#N)s1)c1ccccc1 410205848 JFORFVIKNWHNKN-GFCCVEGCSA-N 284.384 3.543 30 20 CHED C=C(C)CN(CC)C(=O)COc1ccccc1SCC 133851060 LMAGLEXWOOVGQA-UHFFFAOYSA-N 293.432 3.602 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 188652300 KEQKXDYJTAPGGC-INIZCTEOSA-N 299.330 3.684 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)Sc1ccc(C)cc1 410831074 XTBDBABFIIKOCU-KBPBESRZSA-N 290.432 3.626 30 20 CHED CCCOc1ncccc1C/N=C(/O)[C@@H]1CC12CCCC2 329947555 HBOHFNPMDMPRTO-AWEZNQCLSA-N 288.391 3.907 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1[C@H]2CCC[C@H]1CC2 413834480 MFCMTJDACRKLFS-SQNIBIBYSA-N 298.430 3.900 30 20 CHED C[C@H]1Cc2sc(NC(=O)C3=CCC3)c(C#N)c2[C@H](C)C1 411007951 HOUBRHSMHMDBIU-NXEZZACHSA-N 286.400 3.964 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@@H]1C[C@@H]1c1ccccc1 507213182 PVPRVDGTYLRVSC-RBUKOAKNSA-N 276.383 3.794 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC(C)(F)F 413572666 KRQWUMMQLBDCBN-AWEZNQCLSA-N 296.361 3.518 30 20 CHED CSc1cc(NC(=O)NCC(C)(C)C#N)ccc1Cl 417274387 ZSYSWDNGIURPIX-UHFFFAOYSA-N 297.811 3.733 30 20 CHED C=CC[C@H](C(=O)N1CC(CC)(CC)C1)c1ccccc1 504118643 IAOHDDSTTUSPPD-INIZCTEOSA-N 271.404 3.995 30 20 CHED C=CCC[C@@H](N[C@H](C)Cn1cccn1)c1ccccc1 138899715 FRSACZMDJIBXQG-NVXWUHKLSA-N 269.392 3.569 30 20 CHED CCn1cc(C(=O)Nc2cccc(C#N)c2)c2ccccc21 198550252 KELKBNWFZVQOPT-UHFFFAOYSA-N 289.338 3.785 30 20 CHED CCC(C)(C)CNC(=O)Nc1ccc(C#N)c(Cl)c1 429011206 QSZSKXNQKFKWLV-UHFFFAOYSA-N 279.771 3.769 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 137132337 BPFVJLLXCLVMTA-QGZVFWFLSA-N 299.418 3.668 30 20 CHED C[C@@H](OC(=O)Cc1ccc2ccccc2c1)C(C)(C)C#N 130642394 CGKBDUBJFOFRJG-CYBMUJFWSA-N 281.355 3.864 30 20 CHED C=CC[C@H](CC)NC(=O)c1nsc2ccc(C)cc12 512100316 SFGXDLYCAJUJQD-NSHDSACASA-N 274.389 3.689 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccc(C(F)(F)F)cc1 47380258 PJWGHVWWRGEWHQ-VMPITWQZSA-N 294.276 3.643 30 20 CHED C=CCOc1ccccc1C(=O)NC[C@H]1CCC[C@H](C)C1 195622271 VLLOONIOXWBFPE-GJZGRUSLSA-N 287.403 3.808 30 20 CHED Cc1c(NC(=O)C2(CC(C)C)CC2)ccc(C#N)c1C#N 421559552 ORLFYNLKPFUJPW-UHFFFAOYSA-N 281.359 3.503 30 20 CHED C[C@@H]1CC=CC[C@H]1/C(O)=N/[C@@H]1CCC(O)=NC12CCC2 328874002 JGXDLDDPZCDZGM-JHJVBQTASA-N 276.380 3.587 30 20 CHED C=C(C)CN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 130818656 PAGXTRKCBMOSCT-AWEZNQCLSA-N 269.392 3.627 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CCC[C@@H]1C)c1ccccc1 130487205 NKXUICXDADBIAW-LZWOXQAQSA-N 257.377 3.651 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1sc(C)nc1C 45934774 SSRSRJHGKFHUED-UHFFFAOYSA-N 286.400 3.588 30 20 CHED C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1F 136226538 WZZJNJGQYXLZPA-JTQLQIEISA-N 290.288 3.826 30 20 CHED Cc1cc(NC(=O)C(C)(C)C#N)cc(C)c1Br 191320090 GMHCREKHYWWEKG-UHFFFAOYSA-N 295.180 3.554 30 20 CHED N#CCCN(CC1CC1)C(=O)c1cc2ccccc2s1 264063315 MJHLYJUHLURGSS-UHFFFAOYSA-N 284.384 3.667 30 20 CHED C[C@H](OC(=O)c1coc2ccccc12)C(C)(C)C#N 130576915 IDMDPJKBPBNDOZ-JTQLQIEISA-N 257.289 3.528 30 20 CHED C=CCNC(=O)NCC1(c2ccccc2C)CCCCC1 513900318 VPDOVRIVBGBGHW-UHFFFAOYSA-N 286.419 3.682 30 20 CHED C=CCCCCn1c(=O)oc2cc(Cl)ccc21 516951325 PIFRVCNTSONWGW-UHFFFAOYSA-N 251.713 3.604 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H]1c1ccccn1 518329553 CLDQWTRNPPDMSN-OAHLLOKOSA-N 287.407 3.530 30 20 CHED C=CCCC1(c2nc(C3(CCOC)CCC3)no2)CC1 420515810 VLUOAWVBLALDAZ-UHFFFAOYSA-N 276.380 3.526 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 330483596 UYJHTZJARXHXHT-VKJFTORMSA-N 284.403 3.687 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccccc2C#N)cc1[N+](=O)[O-] 194587523 UUHOWVWMAPTZLR-CMDGGOBGSA-N 292.294 3.671 30 20 CHED C#CCOc1ccc(CN[C@H]2c3ccccc3C[C@@H]2C)cc1 237594513 OWTWDWFYGDJQJR-MGPUTAFESA-N 291.394 3.722 30 20 CHED CC(C)Oc1cccc(-c2noc(C3(C#N)CCCC3)n2)c1 331569827 LPMRGFGFJGHHFX-UHFFFAOYSA-N 297.358 3.859 30 20 CHED Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)oc1C 336109983 FPVWWNAXNLQRAE-UHFFFAOYSA-N 286.356 3.571 30 20 CHED C=CCNC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 338559525 JTQFFHPSCLASMF-UHFFFAOYSA-N 293.779 3.771 30 20 CHED C[C@H](c1noc(-c2cc(C#N)cc(N(C)C)c2)n1)C(C)(C)C 519559293 TXPFDCBYOUDYPP-LLVKDONJSA-N 298.390 3.824 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1sccc1C 338757554 NCYLCSFKOOFNIX-AWEZNQCLSA-N 251.395 3.617 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2C2CCC2)cc1 92780935 KTCHNMRKRIKROV-RDTXWAMCSA-N 284.403 3.742 30 20 CHED C=C(C)CNCc1cn(-c2ccccc2)nc1C(C)C 512384715 VFAXJWAIOAYWDO-UHFFFAOYSA-N 269.392 3.661 30 20 CHED CC(C)(C#N)CCCC[S@](=O)C1CCCCC1 232526360 RQKBHHOTEKSOJT-KRWDZBQOSA-N 255.427 3.788 30 20 CHED Cc1cc([C@H](C)/N=C(/O)N=c2cc(C(C)C)o[nH]2)c(C)o1 331238103 ICHYHXLODPHGID-JTQLQIEISA-N 291.351 3.517 30 20 CHED C=CCSCCN[C@@H](C)CCc1ccc(F)cc1F 513653223 DCQZFMXOCJNNII-LBPRGKRZSA-N 285.403 3.795 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)NCC#Cc1ccccc1 510136716 RXVJYLRMIUTEGC-INIZCTEOSA-N 283.415 3.761 30 20 CHED CC(C)(CCC#N)CN1CCC(Nc2ccccc2)CC1 92164635 DXGKZMWXRXGJLZ-UHFFFAOYSA-N 285.435 3.893 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(F)cc1C(F)(F)F 93091194 YHZJCTLYNVBGQE-SECBINFHSA-N 274.261 3.578 30 20 CHED CCc1c(/C(O)=N/CC2(C)CCCC2)[nH]c(C)c1C(C)=O 330646246 FMAAUQOWBDKHTB-UHFFFAOYSA-N 290.407 3.973 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCC(CC)(CC)CC 437262512 KNTFUWUYUJUGMH-HUUCEWRRSA-N 253.430 3.774 30 20 CHED C=C(C)CN1CCC(N[C@@H]2C[C@H](C)CC[C@H]2CC)CC1 430722986 RHYZWZKCYUCZGW-JFIYKMOQSA-N 278.484 3.831 30 20 CHED N#Cc1cnc(NCc2cccc3cc[nH]c23)c(Cl)c1 341430160 ULNIXIOQYXONLQ-UHFFFAOYSA-N 282.734 3.700 30 20 CHED Cc1ccnc(NCC(C)(C)Oc2ccccc2)c1C#N 343503569 FZPBEKUSOPDEAI-UHFFFAOYSA-N 281.359 3.531 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)c1cccc2ccccc12 344654689 FPRQZGMCBNKYJA-KRWDZBQOSA-N 298.411 3.605 30 20 CHED Cc1ccc(C#N)c(N2C[C@H](c3ccccc3C)C[C@H]2C)n1 346813932 IGSLJSNJWHZJJK-NVXWUHKLSA-N 291.398 3.953 30 20 CHED COCCC1CCN([C@@H](C)c2ccc(C#N)cc2F)CC1 527930960 APGZEFRNGKLWCD-ZDUSSCGKSA-N 290.382 3.507 30 20 CHED C[C@@H]1CN(C[C@@H](C#N)CCC#N)CC[C@H]1c1ccccc1 247047171 VPRITBLRRWQEJQ-JFIYKMOQSA-N 281.403 3.556 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)NCC#Cc1ccccc1 605599621 YXINVXFKGMQGAH-HNNXBMFYSA-N 286.419 3.552 30 20 CHED Cc1cc(NC[C@@H]2SCCc3ccccc32)cc(C#N)n1 342775825 AUYXHNIRDHCBHP-KRWDZBQOSA-N 295.411 3.704 30 20 CHED CC(C)c1ccccc1OCCNc1cc(C#N)ccn1 342216744 LHBITWHFSDGZEB-UHFFFAOYSA-N 281.359 3.568 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1ccccc1C1CC1 526960871 JQEZLQZYSBAPGJ-LJQANCHMSA-N 275.417 3.753 30 20 CHED C=CCCCCCN[C@@H](c1ccccc1)c1cnn(C)c1 521151011 TXDVEKKADDIKKE-SFHVURJKSA-N 283.419 3.846 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CCCSCC#N)C1(CC)CC 434976529 CLRXVWYHGNCSHJ-HUUCEWRRSA-N 298.496 3.549 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC(C)(C)c1cccs1 431736635 CAEACLKXHGPJDL-UHFFFAOYSA-N 299.399 3.985 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(NC(C)=O)cc1OC 343503877 MAYSSFZRDRRTRS-GXTWGEPZSA-N 290.407 3.659 30 20 CHED CCOc1ccc(N=Cc2cc(OC)ccc2O)cc1 254623982 MXKKDIYCCGBIKL-UHFFFAOYSA-N 271.316 3.550 30 20 CHED C/C(=C/C(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 254991194 BQOMFDDNMCEBMG-AINHQSCGSA-N 282.387 3.679 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)Oc1ccc(C)cc1 523512534 DPUPOOIHVOZYHV-INIZCTEOSA-N 289.419 3.967 30 20 CHED CCOc1cc(Cl)ccc1NC(=O)[C@@](C)(C#N)CC 342503791 GTQUIFCYNPFCOG-CQSZACIVSA-N 280.755 3.617 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C)nc1Br 297799774 NGPJQHOGJJYHAG-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1csc(C(C)C)n1 343243771 AVMNEGPJCSYQLC-LLVKDONJSA-N 266.410 3.741 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H](c1ccccc1)C(C)C 448964906 GPQRIHDDEBJVAR-QGZVFWFLSA-N 295.386 3.664 30 20 CHED COc1cc(C#N)ccc1CN1Cc2ccccc2C[C@@H]1C 347239820 RDUNUJOQGOMNTJ-AWEZNQCLSA-N 292.382 3.514 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N=c1ccc(C#N)c[nH]1 524488863 BWXWIUSUHDCUNW-INIZCTEOSA-N 299.418 3.556 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CSc3ccccc32)c1 341583948 KJYBPHCKNKOQQM-CYBMUJFWSA-N 297.339 3.725 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)s1 255270858 OZTWAOOJWKISBK-XQRVVYSFSA-N 262.305 3.797 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cccc(C#N)c1 522467194 ATVPMKVGWZDQRN-DNVCBOLYSA-N 276.383 3.936 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)c1ccc2ccccc2c1 448580336 GGSCQGSZSJGBKU-ZJNRKIDTSA-N 278.355 3.567 30 20 CHED N#Cc1cc(Cl)cc(OCc2ncc(Cl)s2)c1 352198324 KNWPXODPUHUQHE-UHFFFAOYSA-N 285.155 3.901 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccccc1F 255330975 URBPJJUQFDQCLI-WAYWQWQTSA-N 278.229 3.706 30 20 CHED N#Cc1ccc(SCCc2cn[nH]c2)cc1C(F)(F)F 352160506 LXAIIOIVJUAJFT-UHFFFAOYSA-N 297.305 3.635 30 20 CHED C[C@@H](CCC#N)CNCC1(c2cccc(Cl)c2)CC1 602557345 ZLHMKNJSHCBCFA-ZDUSSCGKSA-N 276.811 3.901 30 20 CHED N#C[C@@H](Sc1cc2c(cc1Cl)OCCO2)C1CC1 601077264 YTFWBGYOLSPLNH-CYBMUJFWSA-N 281.764 3.505 30 20 CHED C=CCC1(CNCc2ccnn2C(C)C)CCCC1 449604394 KGLSWOACBDHPSA-UHFFFAOYSA-N 261.413 3.690 30 20 CHED COc1cccc(CN(CC(C)C)c2ncccc2C#N)c1 604491968 JJXKZMHTCUUFMJ-UHFFFAOYSA-N 295.386 3.624 30 20 CHED N#Cc1cccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)c1 609916269 IIVGXDDDRJRSNM-SFHVURJKSA-N 294.373 3.762 30 20 CHED C=C(CC)CN1CCC(Oc2ccc(C#N)cc2F)CC1 353017461 CKGQZUKQNYNHEF-UHFFFAOYSA-N 288.366 3.507 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](Nc3ccccc3)C2)CCCC1 449835010 NEEYVQJGVRIQDI-QGZVFWFLSA-N 298.430 3.836 30 20 CHED CC(C)Oc1ncc(Cl)cc1NCc1ccc(C#N)o1 449547894 YVDYZOUAQKVRGB-UHFFFAOYSA-N 291.738 3.599 30 20 CHED CC(C)(C)c1ccc(C2(NCC#N)CCCC2)cc1 537177403 CDFXHGFWACYIJL-UHFFFAOYSA-N 256.393 3.867 30 20 CHED C=CCn1cccc1C(=O)NC[C@]1(C)C[C@@H]1c1ccccc1 355063070 XCEJBCFZIZFDQV-APWZRJJASA-N 294.398 3.598 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](C2CCCCC2)C1 618186647 PWDSMPBSJDNOQZ-AEFFLSMTSA-N 293.451 3.644 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@H](CC)CC1 537199388 NSYDSESRVHWWBQ-INIZCTEOSA-N 281.440 3.788 30 20 CHED CC(C)(C#N)CNCc1cnc(-c2ccccc2F)s1 449237651 CIWPJGVXVLGXNJ-UHFFFAOYSA-N 289.379 3.589 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)Nc2cccc(C#N)c2)c1 610162343 UTOXEHYJQXEELI-AWEZNQCLSA-N 293.370 3.792 30 20 CHED C=C(CC)CN[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C 449732579 BZQFONVNXMMGFN-ZDUSSCGKSA-N 294.826 3.921 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 614374531 YZBVESODTNEVMP-IAGOWNOFSA-N 287.403 3.521 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)C1CC1 267187343 XSSOJGQNKXFRQG-PRHODGIISA-N 297.185 3.720 30 20 CHED CCCN(CC(C)(C)CCC#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 537618393 XZYRNIUOAAFMGB-ARFHVFGLSA-N 292.467 3.842 30 20 CHED N#Cc1cnc2c(F)ccc(F)c2c1N1CC[C@H](C2CC2)C1 611204721 VWVAFCXXWJRQHU-NSHDSACASA-N 299.324 3.621 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 539748324 IAXCRLCAQOKLBS-GXFFZTMASA-N 276.767 3.520 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1C1CCCCC1 455316234 VQWVNNCIBBMKIE-OAHLLOKOSA-N 264.413 3.707 30 20 CHED CN(CC1CCCCC1)C(=O)Nc1cccc(CC#N)c1 455914635 GZDUFQYVQVWHLM-UHFFFAOYSA-N 285.391 3.797 30 20 CHED CC(C)CN(C(=O)N[C@H](C)c1cccc(C#N)c1)C(C)C 610407168 RJPKENMECZSSBU-CQSZACIVSA-N 287.407 3.695 30 20 CHED C=CCCC1(C(=O)N2Cc3ccccc3OC[C@@H]2C)CC1 361860179 KPDADDSEZDZOEI-AWEZNQCLSA-N 285.387 3.543 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 617787586 RUDFMJLRFFCPAT-HNNXBMFYSA-N 269.388 3.533 30 20 CHED C[C@@H](O)C[C@@H](CNc1cccc(F)c1C#N)c1ccccc1 268269807 NIVXKTQBFZFWPV-HIFRSBDPSA-N 298.361 3.664 30 20 CHED CC(C)N(Cc1ccc(O)cc1)Cc1ccc(C#N)cc1 611526400 MJWAELFCFHAKCG-UHFFFAOYSA-N 280.371 3.674 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H](Cc2ccccc2)C1 455314026 RQPJTOMDUZDWDX-KRWDZBQOSA-N 286.419 3.617 30 20 CHED CC(C)c1nc(CSCc2ccnc(C#N)c2)cs1 610954280 WBOJFFUQNLTVDP-UHFFFAOYSA-N 289.429 3.967 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1ccc(OC)cc1 455529724 YHKOLUQQLSUJOY-INIZCTEOSA-N 288.391 3.508 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)CCCc1ccccc1 611415016 YXUXWZDFIZXWIO-RDJZCZTQSA-N 286.419 3.700 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2F)C1 617784577 UMWYIUGMOXZRST-GJZGRUSLSA-N 289.394 3.819 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCCC3(CCC3)C2)c1 455955335 NHMOPOLCHSUXBT-UHFFFAOYSA-N 283.375 3.665 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCO[C@@H](C)C2)cc1Cl 271266535 NNMSGVKFWGPPPX-GXTWGEPZSA-N 295.810 3.562 30 20 CHED CC[C@@H](c1ccc(Cl)cc1Cl)N(C)CC#N 450348847 SOZGPZRFKOWVHK-LBPRGKRZSA-N 257.164 3.900 30 20 CHED C=CC(C)(C)C(=O)N(C)C/C(C)=C/c1ccccc1 451168271 BDVFCRKSPDJDEN-WYMLVPIESA-N 257.377 3.761 30 20 CHED CC(C)(C#N)CCN1CCCC[C@H]1[C@@H](O)c1ccccc1 363468737 MHYIJVZUGHCXGN-IRXDYDNUSA-N 286.419 3.514 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC=C(F)C2)c1 362632308 ASJCSXKTVWQHCE-UHFFFAOYSA-N 270.229 3.641 30 20 CHED N#Cc1cc(CN[C@@H](c2cccs2)C2CC2)ccc1F 544400960 QXZFLXHDNNYZOJ-MRXNPFEDSA-N 286.375 4.000 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@](C)(CC)C1 549247801 CXFPSNPIHDTXSW-INIZCTEOSA-N 276.428 3.604 30 20 CHED CCC(CC)(CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 610753457 PBJRDLPJPLJOJN-ZDUSSCGKSA-N 272.392 3.952 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1ccc(C)o1)C1CCCC1 541776882 NTCBLVVVZUQWDY-RHSMWYFYSA-N 277.408 3.594 30 20 CHED C=CCC1(NC(=O)c2ccc(CC#N)cc2)CCCCC1 456370692 RTPZRDBSCBVKMO-UHFFFAOYSA-N 282.387 3.761 30 20 CHED C=CCC[C@@H](CC)N[C@@H](c1ccccc1)c1cnn(C)c1 366673816 FDNFPDWMCGNBOQ-MSOLQXFVSA-N 283.419 3.844 30 20 CHED CC1(C)CCC(CNC(=O)N2CCC(CC#N)CC2)CC1 540993741 ODIZHNHQYBNWEW-UHFFFAOYSA-N 291.439 3.538 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C1CCCC1)C1CC1 453205038 CQJRIOAQRFAULU-IKGGRYGDSA-N 263.425 3.526 30 20 CHED C[C@H](NC(=O)NCC(C)(C)CC#N)c1ccccc1Cl 457441706 ATQHOIZTXZKMLK-NSHDSACASA-N 293.798 3.640 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 362678781 GNKNFQIFLGXPKW-NEPJUHHUSA-N 289.404 3.777 30 20 CHED C=CCC1(C(=O)NC[C@H]2CSc3ccccc32)CCC1 452212462 AWBYKPIQZPSTRE-ZDUSSCGKSA-N 287.428 3.739 30 20 CHED C=C(C)[C@H](NCc1ccn(C)c1)c1ccc(F)c(F)c1 274827972 SXWSHLHUXJVYOI-INIZCTEOSA-N 276.330 3.710 30 20 CHED CC(C)[C@H]1/C(=C/c2csnn2)C(=O)c2ccccc21 277641823 PYNJQJIUYNOYNB-SVSAJMPUSA-N 270.357 3.558 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 452541593 MAVPQPVOSHVVMQ-GJZGRUSLSA-N 284.403 3.913 30 20 CHED C[C@H]1CC(C(=O)Nc2cccc(OCC#N)c2)C[C@H](C)C1 272506384 VFUMAOZJCYWANM-CHWSQXEVSA-N 286.375 3.600 30 20 CHED C=CC[C@@H]1N(C(=O)c2cnn(C(C)C)c2)CCCC1(C)C 278468658 UFAGGRKIPHASOI-HNNXBMFYSA-N 289.423 3.671 30 20 CHED C=CCC1(NC(=O)[C@H](CCC)CC(C)C)CCOCC1 622939666 AYBGQOGZYFRYMX-OAHLLOKOSA-N 281.440 3.690 30 20 CHED CCC(CC)CN(CCC#N)Cc1cn(C)nc1C(F)F 274508358 UQJQUVMNWXMMLR-UHFFFAOYSA-N 298.381 3.510 30 20 CHED CC#CCCCC(=O)N1CCCCC[C@H]1c1ccncc1 274296958 QXYPPFHXNXSCQU-KRWDZBQOSA-N 284.403 3.719 30 20 CHED C=CCOCCCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 451019684 WYFUUULWOOLHFZ-KRWDZBQOSA-N 299.418 3.601 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 452229590 IAQLUFJKTZZYFS-XQQFMLRXSA-N 289.341 3.758 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)N(C(N)=O)CCC2 278811734 XHRJZOPKXBJYLO-CHWSQXEVSA-N 287.407 3.531 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ccc(C#N)cc1 278778783 PRJGNXKFLBTHSQ-WNRNVDISSA-N 284.403 3.557 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(CC)C(C)C 460579279 UXCMCWGJBOGNCL-ZDUSSCGKSA-N 264.417 3.602 30 20 CHED C=CCOCCN(Cc1ccccc1C(F)(F)F)C1CC1 549767646 FFOLVJGZWMATCH-UHFFFAOYSA-N 299.336 3.872 30 20 CHED C=CCCC(C)(C)NC(=O)c1cn(C)c2ccccc12 620863986 LBHFXFIQEAYQBT-UHFFFAOYSA-N 270.376 3.653 30 20 CHED C=CCC[C@H](NC(=O)OC1CCOCC1)c1ccccc1 289468116 MSODMPAKWNOAFU-INIZCTEOSA-N 289.375 3.599 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2cc(OC)ccc2c1 286749022 FLXZBKJGHMXCIS-QGZVFWFLSA-N 282.343 3.727 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C)sc1C 280718860 FKPLYGUDSKUXND-INWMFGNUSA-N 279.449 3.997 30 20 CHED Cc1nc(CCSCCC(C)(C)C#N)cs1 289476377 WVABTSXCKKZXKP-UHFFFAOYSA-N 254.424 3.667 30 20 CHED N#C[C@H](Nc1cccc2c1OCCC2=O)C1CCCCC1 371644435 BIUIBVRPFIKQRF-HNNXBMFYSA-N 284.359 3.536 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@](C)(CCC)C1 559008470 YRASPESCWXZACD-INIZCTEOSA-N 276.428 3.569 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1c(F)cncc1F 285738355 RGECNRMPJLZKPW-AXFHLTTASA-N 254.324 3.611 30 20 CHED CO[C@](C)(CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 384296854 GVSBZHRAQDYJAZ-DNVCBOLYSA-N 294.398 3.771 30 20 CHED CC[C@@H](Nc1cc(C#N)ccn1)c1ccc(OC)cc1 285552683 IQMKYCLMGBOVJJ-OAHLLOKOSA-N 267.332 3.525 30 20 CHED C=CCc1ccc(OCC[C@H](O)c2ccccc2)c(OC)c1 808245259 KBSHLZGJXFMFOG-KRWDZBQOSA-N 298.382 3.926 30 20 CHED C=CCC[C@@H](O)CN(c1ccccc1)C1CCCC1 472742252 ZSQPDZBYLZPGRA-QGZVFWFLSA-N 259.393 3.763 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)NCc1cc(C#N)n(C)c1 389431761 UVYXCPAQIXLDIU-CQSZACIVSA-N 297.402 3.535 30 20 CHED N#Cc1ccc(C(=O)OC[C@H]2CCCCS2)cc1Cl 802928184 ZZTVZKCDLMDAMZ-GFCCVEGCSA-N 295.791 3.654 30 20 CHED C#C[C@H](NC(=O)C[C@H](C)CC)c1ccc(Cl)cc1F 804421129 JDNCEYISTRXNFY-YGRLFVJLSA-N 281.758 3.706 30 20 CHED CC(C)CCC1CCN(C(=O)c2ccc(C#N)s2)CC1 470235912 DKJDCDBUMNKURI-UHFFFAOYSA-N 290.432 3.908 30 20 CHED N#CCCCCCC(=O)OCC(=O)C1CCCCCC1 805696439 COHFTHVHVGDWEI-UHFFFAOYSA-N 279.380 3.543 30 20 CHED C=C(C)CCNCc1cn(C)nc1-c1cc2ccccc2o1 648727225 JWRPQUWYUQNWNX-UHFFFAOYSA-N 295.386 3.889 30 20 CHED CCCCCCCC(=O)N1CCC(c2ccncn2)CC1 298182983 DTINSRSIJHXEPU-UHFFFAOYSA-N 289.423 3.543 30 20 CHED N#CCCCCCC(=O)Nc1cccc(C(F)(F)F)n1 808333470 MGKREPGLXVPWIY-UHFFFAOYSA-N 285.269 3.513 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)C[C@@H](C(=O)O)c2ccccc21 806562834 POSYDIPDWBLNQZ-ONOODXEBSA-N 296.297 3.664 30 20 CHED CC(C)c1ccc([C@H](C)OC(=O)c2cnccc2C#N)cc1 805717357 YNVSZADETJHLCA-ZDUSSCGKSA-N 294.354 3.995 30 20 CHED C=C(Cl)CNC(=O)c1sc2cc(F)ccc2c1C 805185092 XIHBYNMJCQPFEN-UHFFFAOYSA-N 283.755 3.831 30 20 CHED N#CCCCCCC(=O)OC/C=C/c1ccccc1 805696113 WGLWPARYUUBBEH-DHZHZOJOSA-N 257.333 3.717 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1F 809698707 FRZDPSIKBZVDLJ-GHJWDPDVSA-N 290.769 3.825 30 20 CHED N#CCCCC(=O)OCc1cnc(-c2ccccc2)s1 291310154 ROXUJGRPJXVCLT-UHFFFAOYSA-N 286.356 3.547 30 20 CHED C#C[C@@H](NC(=O)c1sccc1C(C)C)C(C)(C)C 807883454 BBRHWZSBVGGJJV-GFCCVEGCSA-N 263.406 3.649 30 20 CHED Cc1csc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 294257175 GIKZELHEXHLVLT-UHFFFAOYSA-N 296.395 3.733 30 20 CHED C=CC(C)(C)C(=O)N(CC)Cc1c(F)cccc1F 294573071 OGJQNONQEQKGMD-UHFFFAOYSA-N 267.319 3.526 30 20 CHED CN(C(=O)C1C(C)(C)C1(C)C)c1cc(Cl)ccc1C#N 479560619 BLVVVNGEMQQADW-UHFFFAOYSA-N 290.794 3.857 30 20 CHED C=CCn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)CC 568698946 WOMGSHGOVSGPEB-HNNXBMFYSA-N 298.434 3.598 30 20 CHED C#C[C@H](C)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 809682945 JPLYFAWLZBTZQB-CQDKDKBSSA-N 281.321 3.953 30 20 CHED CCc1cccc(C)c1NN=CCC(C)(C)C(=O)OC 814923136 MERSMPSFGRLWJZ-UHFFFAOYSA-N 276.380 3.544 30 20 CHED CC(=NOCCOC(C)C)c1cccc(-c2ccncc2)c1 812238441 VDJBNNITVKAACI-UHFFFAOYSA-N 298.386 3.914 30 20 CHED CCCCCCCCOC(=O)c1nc(C)oc1C 814503663 IIJHPFXAERQFCH-UHFFFAOYSA-N 253.342 3.809 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1nc2ccccc2[nH]1 814708794 MJLBKWLXAPMJDH-NSHDSACASA-N 281.363 3.681 30 20 CHED Cc1cccc(CC(=O)N(C)c2ccc(C#N)cc2)c1Cl 489898598 JWXULTPFGDIMHV-UHFFFAOYSA-N 298.773 3.726 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2cccc(C#N)c2C)cc1 485453143 RASYSVOPUVTQCE-CQSZACIVSA-N 292.382 3.992 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCC(=O)N1CCCCCC1 657862130 CKBKMEFGFPQANZ-SJORKVTESA-N 292.467 3.504 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)c2cccc(F)c2O1 482494099 ZCICOMBQBJTDCR-SNVBAGLBSA-N 288.347 3.546 30 20 CHED C=CCC(F)(F)C(=O)N1CCCCc2ccc(OC)cc21 815784280 VQXKXDILRDXTDZ-UHFFFAOYSA-N 295.329 3.576 30 20 CHED C#CC[C@@H](NC(=O)N(C)[C@H](C)CCCC)c1ccccc1 812181234 JKUQABMKKQSKDH-NVXWUHKLSA-N 286.419 3.971 30 20 CHED C#C[C@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc(Cl)cc1 811944750 IYJCPGOTSPIAOW-GJZGRUSLSA-N 287.790 3.711 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)CCCC3CC3)[nH]c12 813070394 RHRBLPAUVTWFKL-ZDUSSCGKSA-N 281.359 3.628 30 20 CHED Cl/C=C/CON=C1CCC[C@@H](c2cccnc2)C1 811672065 PCAMBFNUFKRBRT-IZQAPLIESA-N 264.756 3.864 30 20 CHED Cc1ccc2ccccc2c1COC(=O)CCCC#N 812617047 AQQXHXXGBGCERW-UHFFFAOYSA-N 267.328 3.885 30 20 CHED Cc1ccc(NN=C2CCc3ccc(C#N)cc32)cc1 811629530 VGZFZHSRUUKAEV-UHFFFAOYSA-N 261.328 3.629 30 20 CHED Cc1nc(N2CC[C@@H](c3c(F)cccc3F)C2)ccc1C#N 487730951 LLHABMZDONTJND-CYBMUJFWSA-N 299.324 3.534 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(SCC)c1 810402017 AVCOESOLRBYCEC-UHFFFAOYSA-N 295.407 3.961 30 20 CHED COc1ccc(CC(C)=NOCCC2CC2)c(C)c1OC 814941473 ZLKHMSSODHQKFG-UHFFFAOYSA-N 291.391 3.747 30 20 CHED FC(F)(F)c1cscc1C=NOC/C=C/Cl 811669544 GFESTZCVVOSVDS-MEWWWXMVSA-N 269.675 3.870 30 20 CHED CCCCCCCCC(=O)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2 816721363 YAVZVOZTMYZVGQ-XYJFISCASA-N 295.467 3.794 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)Oc1ccccc1F 488875432 GGVJDPBHSFTWSZ-ZFWWWQNUSA-N 291.366 3.550 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NOC2CCCC2)C1 814893991 HGZBQBBLOULTES-ZDUSSCGKSA-N 281.396 3.835 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@H]1CCc2ccccc21 579410834 ZWBDUHBFRAWSST-INIZCTEOSA-N 296.418 3.711 30 20 CHED C=CCC(C)(C)CNCc1cnc(Cl)c(C)c1 815142494 UADUWVLFTDQDOS-UHFFFAOYSA-N 252.789 3.735 30 20 CHED CCN(CCCN1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 482699882 OQURACWTCRHQQO-KRWDZBQOSA-N 299.462 3.817 30 20 CHED C(=NNC1CCCC1)c1csc(-c2cccs2)n1 728429519 IQSFIIHOLCDFCD-UHFFFAOYSA-N 277.418 3.738 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 483969564 GEHYIZWXUOBWGI-AWEZNQCLSA-N 286.419 3.844 30 20 CHED CC[C@H](N=c1ccc(C#N)c(C)[nH]1)c1ccc(Cl)cc1 487904144 DOMKDPXXVQLOCG-HNNXBMFYSA-N 285.778 3.900 30 20 CHED CC(C)(C)c1ccc(CCC(=O)N[C@]2(C#N)CC2(C)C)cc1 484901470 SRCKAIMNURTSHI-IBGZPJMESA-N 298.430 3.725 30 20 CHED C#CCNC(=O)N[C@H](CC1CCCCC1)c1ccccc1 726189205 SMNMIAOVTYHMEZ-QGZVFWFLSA-N 284.403 3.631 30 20 CHED C=C[C@H](C)NC(=O)N1CCC2(CCc3ccccc3C2)CC1 653324602 ZJOXHNZGLDUDTB-HNNXBMFYSA-N 298.430 3.542 30 20 CHED N#CCc1ccccc1NC(=O)CCc1ccccc1Cl 579400926 CDLSFODISGJSFW-UHFFFAOYSA-N 298.773 3.977 30 20 CHED CC(C)C#CC(=O)N(C)[C@@H](c1ccccc1)C(C)C 827445887 HAALAMGCBWCAHR-QGZVFWFLSA-N 257.377 3.502 30 20 CHED C=CCCC(=O)OCc1ccc(OCc2ccccn2)cc1 726649735 BLOOMLHSQDCWOG-UHFFFAOYSA-N 297.354 3.670 30 20 CHED C[C@@H](Cc1ccco1)NCc1cccc(OCCCC#N)c1 726797014 RZJBRFVRJMHTNJ-HNNXBMFYSA-N 298.386 3.683 30 20 CHED N#Cc1ccc(SCc2cccnc2Cl)cc1 727054769 IDIURKAGUNFSMH-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Fc1ccccc1NN=C1CCCOc2ccccc21 728425396 FUXLDEHNNKHRJJ-UHFFFAOYSA-N 270.307 3.815 30 20 CHED CC(C)C#CC(=O)N(Cc1ccc2ccccc2c1)C1CC1 823430716 NZRNSDCKMJDGHP-UHFFFAOYSA-N 291.394 3.990 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)CCCC1(C#N)CCOCC1 499701462 BMRGNJXHRBKRAY-DLBZAZTESA-N 292.467 3.988 30 20 CHED C=CC[C@H]1CCCN(CCCCOC(C)(C)C)C1 661384491 JDIJKVOMXLVMJQ-HNNXBMFYSA-N 253.430 3.870 30 20 CHED C=CC[C@H](C)N[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 495038614 AUPAPHUUIBREQO-GRDNDAEWSA-N 277.383 3.848 30 20 CHED CCCCCCCCCCn1cccc([N+](=O)[O-])c1=O 726431859 NWZLJKMVJULVLT-UHFFFAOYSA-N 280.368 3.897 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 497578211 KTAHYRQFSSWGII-OAHLLOKOSA-N 292.382 3.712 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)c2ccc(CC)cc2)c1 727707741 WBYNWAYTBKHLFU-CQSZACIVSA-N 277.367 3.973 30 20 CHED C[C@H]1Cc2ccccc2N(C(=O)CCCCCC#N)C1 588923916 WENLOTVCNNXYGX-AWEZNQCLSA-N 270.376 3.686 30 20 CHED CCn1cncc1/C=C\C(=O)c1cccc(C(C)C)c1 901543034 JVZMCFRKBQOEFZ-HJWRWDBZSA-N 268.360 3.923 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N(C)CC(C)(C)C#N 497293900 NDYVXNLBCHMFTE-OAHLLOKOSA-N 278.440 3.991 30 20 CHED CC[C@H](NC[C@H](C)c1ccncc1)c1cccc(C#N)c1 902832495 NLYZTPZFMKWQAH-KSSFIOAISA-N 279.387 3.798 30 20 CHED CS[C@@H]1CCCC(=NNc2cccc([N+](=O)[O-])c2)C1 901123969 QZFUEEYTLKKGTR-CYBMUJFWSA-N 279.365 3.668 30 20 CHED C/C=C/COc1ccc(CC[C@@H](C)NCC2(C#N)CC2)cc1 583418196 VAZYCWUXCKKBON-QDLOVBKTSA-N 298.430 3.856 30 20 CHED C=CC[C@H](C)NC(=O)N1CCCC(CC)(CC)C1 660680482 DMIVDZHKABWYOK-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED N#CCCCCCC(=O)Nc1cncc2ccccc12 588162483 SXZIOXNMTXKKOA-UHFFFAOYSA-N 267.332 3.647 30 20 CHED C#CCOc1ccccc1[C@H](C)OC(=O)/C=C/c1ccco1 730424629 GFMOFUIGOJKESW-VNDWYCCKSA-N 296.322 3.609 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 668854617 KBHWVCAOEHBYAG-XIRDDKMYSA-N 271.404 3.726 30 20 CHED Cc1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1F 731489360 DRKUSRNMKPVZCZ-KPKJPENVSA-N 268.287 3.662 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2Cc2ccccc2Cl)c1 587446712 XCKDJCZUBNUVJC-HNNXBMFYSA-N 297.789 3.818 30 20 CHED CCC(CC)NN=C(C)c1nc2ccccc2s1 734365393 XWVRDNISJPMRJZ-UHFFFAOYSA-N 261.394 3.799 30 20 CHED Cc1ccc(NC(=O)C#CC(C)(C)C)c2cccnc12 837324316 DCPLXRSCRPMBED-UHFFFAOYSA-N 266.344 3.531 30 20 CHED C=C(Cl)C[C@@H](NC[C@@H](CCC)c1ccccc1)C(=O)O 904025974 MILMEWAYRUDEGQ-HUUCEWRRSA-N 295.810 3.756 30 20 CHED C#CCCCCCC(=O)N1CCCc2ccccc2CC1 836923527 YAJUEZIUFZNFPW-UHFFFAOYSA-N 283.415 3.588 30 20 CHED Cc1ccccc1C(=NNc1cncc(Cl)n1)C1CC1 731925908 BNFUROVYIGSCSI-UHFFFAOYSA-N 286.766 3.665 30 20 CHED CO[C@@H](CN1CCCc2cc(C#N)ccc21)c1ccccc1 580396578 QJQJLTCGQIHNME-IBGZPJMESA-N 292.382 3.699 30 20 CHED CC[C@](C)(C=NNc1ncnc2sc(C)c(C)c12)OC 834924265 ZGODEJUETIMKQO-CQSZACIVSA-N 292.408 3.521 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCSc2ccccc2)C1 839058678 TVJXEOAJRZPJOS-UONOGXRCSA-N 289.400 3.794 30 20 CHED CCN(CC)c1ccc(/C=C\c2ccc(C#N)cn2)cc1 917146836 YFRQMBFEVIDSJB-UITAMQMPSA-N 277.371 3.970 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2sccc2Cl)C1 839062801 NVHHRXWYKZAYAI-DTWKUNHWSA-N 269.753 3.641 30 20 CHED Oc1ccccc1C=NNCc1ccc(C(F)(F)F)cc1 915972710 SOEVJGRIQRKLCN-UHFFFAOYSA-N 294.276 3.535 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccccc1 747061584 KNCXFICSJDSSTH-UHFFFAOYSA-N 269.304 3.739 30 20 CHED CCCCCC[C@H](C)C(=O)OCC1(CC#N)CC1 744277462 MMOUFIMMCUVXRD-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED COc1ccc(CNN=C(C)c2ccccc2Cl)cc1 917548492 LBKLNHYERMUAOX-UHFFFAOYSA-N 288.778 3.862 30 20 CHED CCCCCCCCC[S@](=O)Cc1cn(C)nc1C 841726704 ZATYCBUNCTVJDR-IBGZPJMESA-N 284.469 3.728 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CCC[C@H]2C(C)C)o1 747754069 PBYJRVBHNVMHSJ-LBPRGKRZSA-N 288.395 3.969 30 20 CHED CC1(C)C[C@]1(C)NC(=O)Nc1ccc(C#N)cc1Cl 596801280 JCAPCQDOOUOCIT-AWEZNQCLSA-N 277.755 3.522 30 20 CHED C[C@H](C#N)N(Cc1c(Cl)ccc2cccnc12)C1CC1 595713625 LBGMVSLQCOQIAD-LLVKDONJSA-N 285.778 3.765 30 20 CHED CCC[C@H](C)CC(=O)OCc1cc(C#N)ccc1F 748958608 NRAHDNLEPBBVPW-NSHDSACASA-N 263.312 3.567 30 20 CHED CC(C)(CO)CNN=C1CC[C@H](c2cccc(Cl)c2)C1 841636038 JRTDDTFXRVKHSK-ZDUSSCGKSA-N 294.826 3.572 30 20 CHED CC(C)Nc1ccc([N+](=O)[O-])cc1NCC1(CC#N)CC1 849316501 FGPMWXCDAQJPJV-UHFFFAOYSA-N 288.351 3.521 30 20 CHED N#CC1(CC(=O)Nc2cccc3[nH]ccc23)CCCCC1 597058200 SZMQPDIAOXLMIH-UHFFFAOYSA-N 281.359 3.971 30 20 CHED C=C[C@H](C)ON=C/C(C)=C/c1ccccc1COC 844625690 OOITWQYRFCKVQT-OWBSMGGNSA-N 259.349 3.813 30 20 CHED C[C@@H]1CCCC(=NNC(=S)Nc2ccccc2F)C1 915920669 IDVVHYPJMKJPFL-SNVBAGLBSA-N 279.384 3.678 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](CC1CCC1)c1ccccc1 845625714 YOWJFGACEATAIO-XJKSGUPXSA-N 288.391 3.723 30 20 CHED C/C(=C\c1ccco1)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 847735530 PWVYLCPXRPOUND-RSPDNQDQSA-N 298.367 3.893 30 20 CHED CC[C@@H](C#N)C(=O)NC1(Cc2ccccc2)CCCCC1 593611410 PAWDQSHYCZXPBG-INIZCTEOSA-N 284.403 3.598 30 20 CHED Clc1ccc2c(NN=Cc3ccc[nH]3)ccnc2c1 916269544 WPQNDVBRVHINRX-UHFFFAOYSA-N 270.723 3.662 30 20 CHED Cc1ncc(C=NNc2cccc3c2CCCC3)s1 917552669 LPSLYJOMYODQFZ-UHFFFAOYSA-N 271.389 3.776 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)NCC1(CC#N)CC1 599874577 XPKVIVQPTAJVGM-UHFFFAOYSA-N 294.354 3.679 30 20 CHED C#C[C@@H](CCC)NC(=N)Nc1ccc([C@H](C)CC)cc1 849092944 MHERYLPSTQCQNX-HIFRSBDPSA-N 271.408 3.938 30 20 CHED COc1cccc(NN=Cc2cccc(OC(F)F)c2)c1 747042476 QMDXGXWPUUNCBT-UHFFFAOYSA-N 292.285 3.743 30 20 CHED CC(C)(CNC(=O)CC1(C#N)CCCCC1)C1CCC1 597722426 FGIPNXVAIBFTAN-UHFFFAOYSA-N 276.424 3.793 30 20 CHED N#CCN(Cc1cc2ccncc2s1)C1CCCC1 597015295 UHGVTSVSAXJYJU-UHFFFAOYSA-N 271.389 3.564 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H](C)n1cccn1 917872123 GEZDZNKZCKBFDD-GJZGRUSLSA-N 279.428 3.557 30 20 CHED CCCCCCCOC(=O)[C@H](C)Cc1c(C)nn(C)c1C 744047753 XUXXRYRQUSNJNH-CYBMUJFWSA-N 294.439 3.729 30 20 CHED C=CCCC(=NNCCCOc1ccccc1)C1CC1 747750852 FOQYDMNDTHGPNH-UHFFFAOYSA-N 272.392 3.777 30 20 CHED C=C(C)CNC(=S)NCCc1ccc(C(C)(C)C)cc1 915124258 ASPKOGZKHWVWTO-UHFFFAOYSA-N 290.476 3.567 30 20 CHED CC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 593934649 PIAPGXOIFGGRJM-RHSMWYFYSA-N 284.403 3.528 30 20 CHED CC(C)CC[C@@H](NC[C@H](O)CC(C)(C)C#N)C(C)(C)C 598600501 FOKXNIJSQAETBB-HUUCEWRRSA-N 282.472 3.728 30 20 CHED N#Cc1cc2ccccc2nc1NCCC1CC(F)(F)C1 840314841 OBSBHUNOTDKUHR-UHFFFAOYSA-N 287.313 3.954 30 20 CHED CCC(C#N)(CC)C(=O)NCc1ccc(C)cc1SC 599661404 VLGQJLLGEWTSJR-UHFFFAOYSA-N 290.432 3.663 30 20 CHED CC(C)C(CCc1ccc(Cl)cc1)=NN(C)C[C@@H](C)O 841650121 DCFUJCSRBWXPLH-CYBMUJFWSA-N 296.842 3.597 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)CC1(C#N)CCCCC1 596734828 BCCGJSBNNSIVQJ-CABCVRRESA-N 276.424 3.888 30 20 CHED O=C1/C(=C/c2ccsc2)Cc2c(F)ccc(F)c21 749583349 YXGUUPYNKHXZCI-WEVVVXLNSA-N 262.280 3.849 30 20 CHED C#C[C@@H](OC(=O)C1(C(F)F)CCCC1)c1ccccc1 842391873 VJPHWCPTIHUGSA-CYBMUJFWSA-N 278.298 3.730 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 683243015 QXUJJZNKVRCPQC-ZETCQYMHSA-N 293.235 3.678 30 20 CHED CC[C@@H](/N=C\c1cccc(OC)c1O)c1ccc(OC)cc1 920947885 XPGJKJSSMDBIHN-BKAYVGFPSA-N 299.370 3.980 30 20 CHED COCC1CCC(/N=C/c2cc(Cl)ccc2O)CC1 840714235 YGUZHXWLUWIGSH-RQZCQDPDSA-N 281.783 3.670 30 20 CHED CC(C)CCn1ccc(N[C@H](C)CC(C)(C)C#N)n1 925924655 XQFLXJLLANWLOK-CYBMUJFWSA-N 262.401 3.669 30 20 CHED COc1cccc2c1C/C(=C\c1cc(C)c(O)c(C)c1)C2=O 759666870 WDQUPYFASQLSQM-NTEUORMPSA-N 294.350 3.840 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](c1ccccn1)C(C)C 758498734 MOZBPHNUDGHCHO-MRXNPFEDSA-N 272.392 3.663 30 20 CHED CC[C@H](C)c1ccc(C(=O)OCc2ccnc(C#N)c2)cc1 756303429 HZYLWQCTAPLKQN-ZDUSSCGKSA-N 294.354 3.824 30 20 CHED N#Cc1cc(C(=O)OCc2ccccc2F)ccc1Cl 753997982 IKSUNEYIVGDJQT-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1cc(C)cc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1 750786623 DEANEAWCXIRGPS-QGZVFWFLSA-N 293.366 3.843 30 20 CHED CC(=NNc1ncc(Cl)cn1)c1cc(C)sc1C 857221991 YAQDYRWSBUAUFL-UHFFFAOYSA-N 280.784 3.644 30 20 CHED Cc1ccc(C)c(OC(=O)c2cc(C#N)cs2)c1C 752268122 JYABDWTVVJOLRU-UHFFFAOYSA-N 271.341 3.764 30 20 CHED CC(C)COc1ccccc1/C=C1\CCn2nccc2C1=O 853008976 CDZNCVAINZRJFB-RVDMUPIBSA-N 296.370 3.588 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@H]1CC12CCC2 759821085 GMVKIYBOFTWSKR-CQSZACIVSA-N 272.344 3.519 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cc(C)c(F)c(C)c1 755821082 AUWKJBZTEQJGJE-AWEZNQCLSA-N 265.328 3.710 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(F)c(F)c1)OCC 756475046 AAOYUHNHOXXOIV-XHDPSFHLSA-N 298.329 3.940 30 20 CHED C#CC[C@H](NC(=O)/C=C1/CC[C@H](C)C1)c1ccccc1 757578893 MDMVVBKLNSPPKF-URTFXMNYSA-N 267.372 3.614 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ncc(C(F)(F)F)cc1Cl 925265504 ZTFGWZWHDMQNHM-YUMQZZPRSA-N 278.705 3.979 30 20 CHED N#CC[C@@H]1CCCN(C(=O)/C(F)=C/C2CCCCC2)C1 855256561 OAIIEUGNYHCODC-XFNCEPBJSA-N 278.371 3.572 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 753995922 RQMRTBPBIWVUDG-WWBTZOKRSA-N 299.345 3.871 30 20 CHED CC(C)CN(CCC#N)Cc1cc(-c2ccccc2)on1 755670950 SFVVVTDFUOCIDC-UHFFFAOYSA-N 283.375 3.713 30 20 CHED C#CC[C@@H](NC(=O)/C=C/C(=C/C)CC)c1ccccc1 757595098 DOKTWRMDKBIEBN-RRTKISNLSA-N 267.372 3.780 30 20 CHED C=CC[C@@H](NC(=O)NC1(CC(C)C)CC1)c1ccncc1 853748996 VTKDQRIIFXOSNJ-OAHLLOKOSA-N 287.407 3.577 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(C#N)c(Cl)c1 851205511 GSDDNIYWJFBSIV-SNVBAGLBSA-N 290.750 3.697 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H](COc2ccccc2)C1 935305389 YBHLNIUUXHFLLL-HOTGVXAUSA-N 287.403 3.516 30 20 CHED N#C[C@H]1CCCN(C2c3ccccc3-c3ccccc32)C1 932151242 MIESOXQGBBHHCG-CQSZACIVSA-N 274.367 3.992 30 20 CHED Cc1ccc2occ(CC(=O)OC3(CC#N)CCC3)c2c1 860744894 IBAKULGPVGVBEJ-UHFFFAOYSA-N 283.327 3.663 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1c(C)cc(C)cc1C 761661252 GQFVCFCOFRFNEU-UHFFFAOYSA-N 294.354 3.744 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)c(OC)cc1C 935451001 CMULLHVTSAJRGL-NSHDSACASA-N 265.328 3.684 30 20 CHED N#CCc1ccccc1C(=O)N1CCCC2(CCCC2)C1 867662838 SNCBNFXNHAMKEZ-UHFFFAOYSA-N 282.387 3.549 30 20 CHED CCc1csc(SCc2ccc(OCC#N)cc2)n1 865386980 MYJFRXJONFNFLT-UHFFFAOYSA-N 290.413 3.900 30 20 CHED C#CCCCN(CCc1ccc(C)cc1)CC(F)(F)F 766902559 KQTMTLVQWPXQJG-UHFFFAOYSA-N 283.337 3.815 30 20 CHED C#C[C@H](CC)OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 768044051 ORDWDJQEEVECHB-CYBMUJFWSA-N 297.329 3.820 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(F)cc(F)c1 768479142 WVCFPXLKMAZYHB-UHFFFAOYSA-N 281.302 3.842 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cnc(C)s1 761248280 DPUPPNUWJVSXIF-UHFFFAOYSA-N 259.378 3.904 30 20 CHED CC(=NNc1cccc(F)c1Cl)[C@@]1(C)CCCO1 863158895 WRIXBJFUCQJUQY-CYBMUJFWSA-N 270.735 3.836 30 20 CHED C#CCC[C@@H](C)OC(=O)/C=C\c1ccc(SC)s1 860826110 TYVBFQSPJITKKT-GXMKHXEJSA-N 280.414 3.828 30 20 CHED CCc1oc2ccccc2c1CC(=O)OCC1(C#N)CCC1 860237048 RWEYKNUFTOPUIA-UHFFFAOYSA-N 297.354 3.775 30 20 CHED CC(C)OCCON=Cc1csc(C(F)(F)F)c1 863114539 MNOIBVKOPMLQJN-UHFFFAOYSA-N 281.299 3.542 30 20 CHED CC(C)[C@@H]1CC(=NNc2ncc(F)cn2)c2ccccc21 766452241 DKYDMEYSCUMKDA-AWEZNQCLSA-N 284.338 3.575 30 20 CHED CCCCC[C@@H](C)NC(=O)[C@@H](C#N)CCc1ccccc1 764146172 BTUIOZNLLLYGAB-NVXWUHKLSA-N 286.419 3.844 30 20 CHED COc1ccc2nc(NN=CC(C)(C)C)c(C)cc2c1 777912135 SAMZDRAPELZHHC-UHFFFAOYSA-N 271.364 3.996 30 20 CHED CCC(=NNc1nccnc1C(C)C)c1ccc(F)cc1 773078888 RBRCIWQWZAUWSB-UHFFFAOYSA-N 286.354 3.965 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2ccc(C#N)s2)cc1 770652788 ALCAABDDSCOSGK-NSHDSACASA-N 271.341 3.846 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)c(F)c1F 870470938 URZMSGYDHQZZQB-JTQLQIEISA-N 281.302 3.758 30 20 CHED C=C(C)CN(C)C(=O)/C=C\c1ccccc1O[C@H](C)CC 778123677 XIDATIKGZXGZDB-QYMJWVLRSA-N 287.403 3.912 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H](CCC)C(C)C 775946097 LVDAQPBCSYFTPY-AWEZNQCLSA-N 273.376 3.709 30 20 CHED C#CCCCCCC(=O)Nc1ccc(F)c(F)c1F 779712272 ANWLWYIZDZMENW-UHFFFAOYSA-N 269.266 3.626 30 20 CHED C#CCCCCCC(=O)Nc1ccnn1-c1ccccc1C 779943568 MXWANKPEXUTYSC-UHFFFAOYSA-N 295.386 3.703 30 20 CHED N#CCOc1cc(F)ccc1NC[C@H]1C[C@H]1c1ccccc1 779608583 GBBZLVNWLZDZDO-ZBFHGGJFSA-N 296.345 3.944 30 20 CHED CC(Cc1cccc(F)c1)=NNc1nccnc1C(C)C 773087142 XGWGURCTZMASFI-UHFFFAOYSA-N 286.354 3.770 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 879539500 XKQLBRUPQRWUCY-CYBMUJFWSA-N 274.408 3.532 30 20 CHED C#CC[C@@H](NC(=O)CCCC(F)(F)F)c1ccccc1 770761388 LQAJKQFZZVYQRZ-CYBMUJFWSA-N 283.293 3.600 30 20 CHED Cc1cc(C(=O)OCc2ccc(CC#N)cc2)c(C)s1 776114381 OPCBVBJXGGDEHD-UHFFFAOYSA-N 285.368 3.788 30 20 CHED CCC(CC)NN=Cc1cccc(C)c1OC(F)F 777887870 HQVIFVLLALLQFF-UHFFFAOYSA-N 270.323 3.709 30 20 CHED CCO[C@@H]1CC(=NOC2CCCC2)[C@H]1Oc1ccccc1 774397979 BKFQXKJMYQBHCG-IAGOWNOFSA-N 289.375 3.558 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)[C@H](C)c1ccccc1 1122968570 RRQUZPNGYIUCSG-HZPDHXFCSA-N 293.366 3.559 30 20 CHED C(=NOC1CCCCC1)c1ccnc2ccccc12 777457467 VLGBDKASQDYMNX-UHFFFAOYSA-N 254.333 3.918 30 20 CHED C#Cc1cccc(N(C)CCCCC(=O)OC(C)(C)C)c1 784147610 LZSLCHILJDMFHG-UHFFFAOYSA-N 287.403 3.616 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2ccc(OC)cc2)CC1 887955978 UVIFCTICAVTWLA-ZDUSSCGKSA-N 273.376 3.619 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 780022765 GXZTZPLMORQKAI-BMSUMIBZSA-N 276.767 3.767 30 20 CHED CC(C)[C@H](F)C(=O)OCc1ccccc1C(C)(C)C#N 784297724 FQZVDYXTESXULJ-AWEZNQCLSA-N 277.339 3.525 30 20 CHED CC[C@@H](C#N)OC(=O)c1sccc1-n1c(C)ccc1C 781167643 SAWDYIADODBPQU-LBPRGKRZSA-N 288.372 3.615 30 20 CHED CC(C)(C#N)CC(=O)OCc1cccc(C(F)(F)F)c1 785078479 OAWAPQTWHWNVSQ-UHFFFAOYSA-N 285.265 3.688 30 20 CHED CCCCCCCCNC(=O)NCC[C@H]1CCO[C@H](C)C1 784388761 OKLGORVSXSTJSJ-CVEARBPZSA-N 298.471 3.851 30 20 CHED CC[C@@H]1CCC[C@H](C=Nn2cc(Br)cn2)C1 783856370 AFRBOGJHUOELRF-MNOVXSKESA-N 284.201 3.696 30 20 CHED C=C1CC(c2noc(CCc3cccc(F)c3F)n2)C1 896881267 GSOIPZAQRBGCDQ-UHFFFAOYSA-N 276.286 3.567 30 20 CHED C#CCC1(C(=O)N2CCC[C@H]3CCC[C@@H]32)CCCCC1 788450930 WWDZMJFVYGOYND-CVEARBPZSA-N 273.420 3.751 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccccc1 782300051 BJTOTXPXDKQYHX-HJWRWDBZSA-N 255.342 3.917 30 20 CHED CC(=NNc1ccccc1Cl)[C@@]1(C)CCCO1 782113661 PJXLKAAZTXONLR-CYBMUJFWSA-N 252.745 3.697 30 20 CHED CC(C)(C)c1cnc(/C=C2/Cc3cc(O)ccc3C2=O)s1 790610105 RMGZNWLUKSXXJV-FLIBITNWSA-N 299.395 3.969 30 20 CHED COc1cccc(/C=C\C(=O)C2CCCCC2)c1F 799891216 MFWCQUCWIBZUOG-KHPPLWFESA-N 262.324 3.997 30 20 CHED CC(=NN1CCC(C(C)(C)C)CC1)c1ccccn1 790178924 OSZGKJLXAPHDBX-UHFFFAOYSA-N 259.397 3.564 30 20 CHED Cc1ccc([C@H](O)[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 797057615 AFIHMRCBDMRXSW-YZVOILCLSA-N 294.398 3.639 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cc(Br)ncc1F 273902246 WAPTZJSFYFJCTE-RKDXNWHRSA-N 287.176 3.598 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc(Br)s2)C1 185766334 VHYOEKRDDQLQRV-NXEZZACHSA-N 299.237 3.683 30 20 CHED CCCOc1ccc(C(C)=NNc2cccc(F)n2)cc1 795007876 PCUXXRBYMFOGDX-UHFFFAOYSA-N 287.338 3.846 30 20 CHED C=C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 798394632 MJZYIWSUZVBFRC-UHFFFAOYSA-N 297.152 3.514 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C)C(C)C 798556963 MLLDREWRBKDLCV-QZTJIDSGSA-N 298.430 3.808 30 20 CHED C=CCCCCN1C[C@H](c2ccsc2)O[C@H](C)C1 579916217 FQFYKOWMAMAQKJ-UKRRQHHQSA-N 265.422 3.866 30 20 CHED CSCCON=C(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 794577111 NPQSFHYILWKNJX-NSHDSACASA-N 296.392 3.529 30 20 CHED Cc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1C#N 799543100 QWVXIWZKBJNAFC-UHFFFAOYSA-N 275.311 3.600 30 20 CHED Cc1ccc(NN=C2CCC[C@@H](CC(C)C)C2)nn1 794506883 AGXAJPPKLYLNMD-ZDUSSCGKSA-N 260.385 3.789 30 20 CHED COCCCON=Cc1ccc(SC(F)(F)F)cc1 795050370 AZSMWINSDSJNKN-UHFFFAOYSA-N 293.310 3.686 30 20 CHED Cc1ccc2cccc(OCC3(CC#N)CC3)c2n1 88272132 WFUKUFMGVILZRN-UHFFFAOYSA-N 252.317 3.616 30 20 CHED C=C(C)CNC(=S)N[C@@H](c1cccc(F)c1)C(C)(C)C 1319011770 HUIMGBATYQZHMA-AWEZNQCLSA-N 294.439 3.953 30 20 CHED C=CCCCCOC(=O)c1ccc(-c2nc(C)no2)cc1 1324702445 GTRKZOIKUHRCJD-UHFFFAOYSA-N 286.331 3.558 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cccc(Cl)c1Cl 1320306362 QZXTWBWAWKYMAW-NXEZZACHSA-N 274.191 3.845 30 20 CHED Clc1cccnc1NN=Cc1nc(-c2ccccc2)c[nH]1 1321696120 XVZDATYGLUFLOO-UHFFFAOYSA-N 297.749 3.571 30 20 CHED CN(c1ccnc(C#N)c1)[C@@H]1CCC[C@@H]1c1ccccc1 1186675432 KUHDHJTYEOGTJJ-QZTJIDSGSA-N 277.371 3.726 30 20 CHED C=C1CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)C1 1333105425 JAOIPKZEEFBKJL-UHFFFAOYSA-N 288.294 3.702 30 20 CHED C=C(C)CCC(=O)N(CC)[C@@H](CC)c1ccncc1 1335785566 JLXFQAUZTVLSSL-HNNXBMFYSA-N 260.381 3.738 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)c1ncccc1C)c1ccccc1 1336256873 YRLJTSWPHXZRKO-WBVHZDCISA-N 294.398 3.927 30 20 CHED C=CCC[C@H](O)CN1C[C@H]2CCCC[C@]21c1ccccc1 1333638364 HRMDEQKYARNBOE-QYZOEREBSA-N 285.431 3.715 30 20 CHED CCC1(CC)CCCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1252108304 YHBPCDHUDHOHHN-LSDHHAIUSA-N 291.439 3.681 30 20 CHED Cc1ccccc1C(F)(F)C(=O)OCCCC(C)(C)C#N 1339321797 AKXYSIYGOZPVOF-UHFFFAOYSA-N 295.329 3.960 30 20 CHED C=C(C)CCC(=O)N(CCOC)[C@H](C)c1ccccc1 1337044848 UAPWPMUBSWGPCR-OAHLLOKOSA-N 275.392 3.579 30 20 CHED C=C1CCC(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)CC1 1262107700 WNNYLIWDHDKOSA-CQSZACIVSA-N 290.432 3.765 30 20 CHED C=C(CC)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 1263864267 CUWIAEWWGSQYOK-CYBMUJFWSA-N 294.192 3.689 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1cccs1)C2=O 214454 SUDXHEBZHUWWCA-BENRWUELSA-N 270.353 3.969 30 20 CHED C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 1350037630 OMWRGTZQPPFYSU-USXIJHARSA-N 284.403 3.721 30 20 CHED Cc1ccc(Cl)cc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1275465123 SEZVHPFKTSUFQM-YPMHNXCESA-N 277.751 3.888 30 20 CHED N#CC[C@@H](C(=O)N1CC[C@H](C2CCCC2)C1)c1ccccc1 1276568341 WDCQNMIUKKHTRA-ZWKOTPCHSA-N 296.414 3.723 30 20 CHED Cc1cccc2nc(Oc3ccc(C#N)cc3)oc12 1458078233 BSZAQDOOTOOWCU-UHFFFAOYSA-N 250.257 3.800 30 20 CHED Cc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1C 1521609945 SASWUNJBZCRGSP-QGZVFWFLSA-N 278.355 3.939 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2ccc3c(c2)CCCC3)C1 1528490676 RULLWPFEHXKRGP-MAUKXSAKSA-N 297.398 3.733 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(C(=O)O)c(Cl)c1 1609264226 HONRNMXYPRZXDR-CQSZACIVSA-N 282.723 3.546 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2c(F)cccc2Cl)n1 1472718799 NHIQVTWMBREADB-QMMMGPOBSA-N 290.729 3.622 30 20 CHED CCC[C@@H](NC(=O)Nc1cc(C)cc(C#N)c1)C1CCC1 1476740547 ONZRJVDAUBVPIR-MRXNPFEDSA-N 285.391 3.957 30 20 CHED C=CCC1(NCc2cc(C(=O)O)oc2CC)CCCC1 1573352405 BJBXTIVZLKYURZ-UHFFFAOYSA-N 277.364 3.519 30 20 CHED Cc1ccc(N(C)C(=O)c2cc(C#N)ccc2C)c(F)c1 1585041528 OZLATGBIDDRTIM-UHFFFAOYSA-N 282.318 3.591 30 20 CHED Cc1ccc(C#N)cc1NCc1ncc(-c2ccccc2)[nH]1 1656390506 HTERTHHWFPVWPD-UHFFFAOYSA-N 288.354 3.869 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)[C@H](CC#N)c1ccccc1 1587310791 WHJZNBQTDFQWQT-CRAIPNDOSA-N 292.382 3.870 30 20 CHED N#Cc1cccc(-c2nc([C@@H]3CCCCS3)no2)c1 231028794 JTJLSXRTCLRZAX-LBPRGKRZSA-N 271.345 3.566 30 20 CHED Cc1cc(C)c(C#N)c(SCCN(C)c2ccccc2)n1 1656012564 BLRPANPOZDLBMZ-UHFFFAOYSA-N 297.427 3.799 30 20 CHED COc1cc(C#N)ccc1CN1CCCc2ccc(C)cc21 1652487587 RASLFWJZYKSKEC-UHFFFAOYSA-N 292.382 3.828 30 20 CHED C[C@H]1CCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N 230683621 MEWJCAIUDDJLBG-ONGXEEELSA-N 283.297 3.820 30 20 CHED Cc1cc(Sc2cc(C3CC3)ncn2)ccc1C#N 1651169104 QXASMYADCTYPAA-UHFFFAOYSA-N 267.357 3.685 30 20 CHED COc1cccc([C@@H](C)C(=O)Nc2cc(C)cc(C#N)c2)c1 1597275273 LJVARBLZUHANBQ-CYBMUJFWSA-N 294.354 3.618 30 20 CHED N#CCc1ccc(NC(=O)c2cccc(Cl)c2F)cc1 124032314 KNSNNYAUYCXSHY-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=CCCOCCNC1CC(c2ccccc2Cl)C1 231800304 LTJMXDNGTMNZFQ-UHFFFAOYSA-N 279.811 3.768 30 20 CHED C=C1CCN(c2c(C(=O)O)cnc3c(C)c(C)ccc23)CC1 1776145720 ZZJWCLUMDGSPTF-UHFFFAOYSA-N 296.370 3.706 30 20 CHED CCC[C@H]1CCCC1=NNc1ccc(F)c(C(=O)O)c1 1776062886 PJMUPVIMSNHFFV-JTQLQIEISA-N 278.327 3.892 30 20 CHED CC(C)OCCCNc1ccc(C#N)cc1Br 134524439 XZBSCXNJSUACPL-UHFFFAOYSA-N 297.196 3.548 30 20 CHED CC[C@@H](NCc1cccc(OCC#N)c1)c1ccc(F)cc1 160917420 BRVPAOJDUGBPCJ-GOSISDBHSA-N 298.361 3.969 30 20 CHED Cc1cc(C#N)ccc1COc1cccc(C)c1[N+](=O)[O-] 165557584 CTLXAKWSQCNLCK-UHFFFAOYSA-N 282.299 3.662 30 20 CHED C#CCCCCNC(=O)N[C@H](CC)c1cc(F)ccc1F 151029297 WECLYPKLVDWZMS-OAHLLOKOSA-N 294.345 3.519 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)C[C@@H](C)CC)CC1 153016726 JZQZCNNWUKJBBG-JKSUJKDBSA-N 266.473 3.831 30 20 CHED C=CCC[C@@H](NC(=O)Nc1nccs1)c1ccccc1 153294028 NCTATRNDSUSHLN-CYBMUJFWSA-N 287.388 3.972 30 20 CHED Cc1cccc(C(=O)N[C@H](CCC#N)c2ccccc2)c1 153671243 PIJPWYPPIIQIHC-QGZVFWFLSA-N 278.355 3.770 30 20 CHED Cc1cccc([C@H](C)CNCc2ccc(C#N)cc2)c1 153974264 XRWWARLNFYBXKV-OAHLLOKOSA-N 264.372 3.760 30 20 CHED CC[C@H](CC(=O)N1CCC(C#N)CC1)c1ccc(C)cc1 157651183 FZPPDZBVSIYCGY-MRXNPFEDSA-N 284.403 3.641 30 20 CHED CCCCOc1ccccc1NC(=O)N[C@H](CC)CC#N 157250237 ORHZUTQAYZZMIY-CYBMUJFWSA-N 289.379 3.679 30 20 CHED O=C(/C=C/c1cncs1)c1coc2ccccc12 159038818 HMHJVPXSVHDHEY-AATRIKPKSA-N 255.298 3.785 30 20 CHED Cc1nccn1CCCCNc1ccc(C#N)cc1Cl 1120025539 CZWFQUPHVDPQOB-UHFFFAOYSA-N 288.782 3.609 30 20 CHED CC(C)(C)SCCNC1CC(C#N)(c2ccccc2)C1 127851679 IAEKCOMUKLSCHM-UHFFFAOYSA-N 288.460 3.732 30 20 CHED C[C@@H](Cc1ccsc1)N[C@H](C)c1ccc(C#N)cc1 49154488 JXEHIZOXOLETRB-QWHCGFSZSA-N 270.401 3.902 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H]1CCCSC1 310286619 XVYKRSDCAOTHTD-JTQLQIEISA-N 266.797 3.767 30 20 CHED C=C[C@@H]1CCCCN1C[C@@H]1CCC2(CCCCC2)O1 489451628 UNWLEZMECNWIIO-CVEARBPZSA-N 263.425 3.909 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H](C)CCC=C(C)C 579125552 NVNWTIFEVCIZEO-UONOGXRCSA-N 250.386 3.567 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC)c(Br)c1 393780298 JGBPKXINQFKMNA-GFCCVEGCSA-N 298.224 3.902 30 20 CHED Cc1ccsc1CN(C)c1ccc(C#N)cc1F 395036859 IMHPRKZERQFFJX-UHFFFAOYSA-N 260.337 3.704 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1cc(F)ccc1C#N 396769486 CUCUGFVFTRQRHI-INIZCTEOSA-N 260.356 3.708 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2ccc(CC#N)cc2)C1 398997236 QBVMWROSLHAVFQ-RHSMWYFYSA-N 256.393 3.763 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)nc1Cl 785859184 WTQANMDFGQSCLX-SECBINFHSA-N 285.174 3.569 30 20 CHED CC(=NNCc1ccccc1)C1CCC(F)(F)CC1 788703917 JKIAUZVJWGAXMF-UHFFFAOYSA-N 266.335 3.978 30 20 CHED N#Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 10408262 YUSKEFJNWPCANO-UHFFFAOYSA-N 284.746 3.783 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1F 54802618 JWCHHSNYKHVKNG-GORDUTHDSA-N 298.313 3.665 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2)cc1O 107066864 QXYNTXSPPSEWMG-GQCTYLIASA-N 282.339 3.914 30 20 CHED CC(C)COC[C@H](NCc1ccccc1C#N)c1ccco1 179081352 ZEZICWXDSXHKGU-KRWDZBQOSA-N 298.386 3.655 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(C)c1ccc(C#N)cc1 308095580 ZTRMIPAZYMGSAA-OAHLLOKOSA-N 272.392 3.983 30 20 CHED CC[C@@H](C#N)NC(=O)CCCc1ccc(CC(C)C)cc1 179205562 QKFPMAVXGRRHHX-KRWDZBQOSA-N 286.419 3.626 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc(C)cc1 176871011 RQYGNMCWXQUKKJ-CQSZACIVSA-N 284.384 3.809 30 20 CHED C#CCCCCC(=O)NCCOc1ccc2ccccc2c1 179667139 IBBJGOQHMYYFJJ-UHFFFAOYSA-N 295.382 3.528 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H]2c2ccccc2)cc1 111412699 DKZHJUBPRXOAGR-MOPGFXCFSA-N 276.383 3.984 30 20 CHED CCN(Cc1cccnc1C)[C@@H](C)c1ccc(C#N)cc1 179464329 FPRCTXDPELFHHU-HNNXBMFYSA-N 279.387 3.845 30 20 CHED Cc1nc(CCN(Cc2ccc(C#N)cc2)C(C)C)cs1 119728624 UOEKZJCGGINPCB-UHFFFAOYSA-N 299.443 3.776 30 20 CHED CN1CCCc2cc(CNc3cccc(F)c3C#N)ccc21 58555637 KZTCSRDUZZZJIT-UHFFFAOYSA-N 295.361 3.692 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1F 50821436 JAOIKTMFYQUREE-GFCCVEGCSA-N 293.301 3.501 30 20 CHED C=CCOc1ccc(-c2nc(CC(C)C)no2)cc1OC 109562729 ZWYDPQQRJLDEPW-UHFFFAOYSA-N 288.347 3.509 30 20 CHED Cc1ccccc1NC(=O)N(CCC#N)Cc1ccco1 177899706 PXMYBCSRAYIFCI-UHFFFAOYSA-N 283.331 3.536 30 20 CHED C=CCCC(=O)COc1ccc(F)c(Br)c1 179910966 IBTANZSGQYABIV-UHFFFAOYSA-N 287.128 3.502 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)Cc1cccc(F)c1 178376773 DXAPRBBWQCRXJQ-GFCCVEGCSA-N 296.345 3.823 30 20 CHED CS[C@@H]1CCC[C@H](Nc2c(C#N)cccc2C#N)C1 302880198 ICZOHRXWAPENFQ-UONOGXRCSA-N 271.389 3.516 30 20 CHED CCCC(O)(CCC)CC(=O)Nc1cc(C#N)ccc1C 305270275 ZTWPGSHKNXVMEN-UHFFFAOYSA-N 288.391 3.527 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1F 308072956 CFGJEODFMDSAEH-ZDUSSCGKSA-N 298.342 3.525 30 20 CHED C=CC[C@H](C)NC(=O)c1csc(-c2ccccc2F)n1 116856870 NKQSEPSDVONZMK-JTQLQIEISA-N 290.363 3.644 30 20 CHED Cc1cc(C)cc(OCCC(=O)Nc2ccc(C#N)cc2)c1 20261537 SPHAULVHLXUMIO-UHFFFAOYSA-N 294.354 3.583 30 20 CHED Cc1nc(C)c(CN(Cc2ccc(C#N)cc2)C2CC2)s1 172765633 IQSHVKNRIYQCQK-UHFFFAOYSA-N 297.427 3.796 30 20 CHED CC[C@@]1(C)CCCN(Cc2cc(F)ccc2C#N)C1 345776013 SAYZFXBUAHNAEE-INIZCTEOSA-N 260.356 3.709 30 20 CHED COc1ccc([C@@H](C)N(C)c2cccc(F)c2C#N)cc1 301250139 IWANMNZXJQJINL-GFCCVEGCSA-N 284.334 3.903 30 20 CHED N#CCCCCN[C@@H]1CCC[C@@H]1Cc1ccccc1 178646897 OGFAYZSIGPWEMN-IAGOWNOFSA-N 256.393 3.681 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](C)OCCC(C)C)c1 66027669 WBBFHTAOACOJGS-AWEZNQCLSA-N 291.391 3.641 30 20 CHED N#Cc1ccc(N2CCC3(CCCC3)CC2)c([N+](=O)[O-])c1 301363886 NDOIQTUBZOEGGG-UHFFFAOYSA-N 285.347 3.627 30 20 CHED N#CC1(C(=O)Nc2cc(-c3ccccc3)on2)CCCCC1 173068599 GADIXODWGYJBDQ-UHFFFAOYSA-N 295.342 3.754 30 20 CHED C[C@H](Cc1cccs1)N(C)c1ccc(Cl)c(C#N)n1 301571299 KXLOCDSDZCKGIE-SNVBAGLBSA-N 291.807 3.736 30 20 CHED CC(C)CCSCC(=O)Nc1cc(Cl)ccc1C#N 171477692 LRXCZMRIXGNGKP-UHFFFAOYSA-N 296.823 3.929 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C#N 63641530 KGJRNHWJAOQDCZ-CYBMUJFWSA-N 277.327 3.983 30 20 CHED Cc1ncccc1/C=C1\Cc2cc(Cl)ccc2C1=O 172819562 VDSOCHNZGFGPTI-NTUHNPAUSA-N 269.731 3.866 30 20 CHED CC[C@@H](C#N)Sc1nc(Cc2ccccc2)c(C)[nH]1 127019513 WDRFQLNKZSKMTA-ZDUSSCGKSA-N 271.389 3.703 30 20 CHED CC(C)COCCSCCCOc1cccc(C#N)c1 409851966 XTNZSWGNZKEROV-UHFFFAOYSA-N 293.432 3.733 30 20 CHED C=CC[C@@H](C(=O)N1Cc2ccccc2C1)c1ccccc1 187649258 UQVDBLIMZHVPQJ-GOSISDBHSA-N 277.367 3.889 30 20 CHED N#CCCSc1ccccc1NC(=O)c1ccoc1 78568464 AGUKMXZBQZXKSY-UHFFFAOYSA-N 272.329 3.538 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 79540709 XWCHADRWULIQTJ-IAGOWNOFSA-N 299.418 3.668 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCCC1)c1ccccc1F 182044489 QMAPPWSBZLMRDI-LBPRGKRZSA-N 275.323 3.904 30 20 CHED CC(C)(C#N)CNC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 502662761 AQTYWDSHNGKUCA-UONOGXRCSA-N 293.455 3.830 30 20 CHED N#Cc1cc(F)ccc1NCCc1c[nH]c2ccccc12 71630234 GNSBAJUFHZENIG-UHFFFAOYSA-N 279.318 3.833 30 20 CHED N#CCCN[C@@H](c1cc(F)cc(Br)c1)C1CC1 411566201 YXJZETWPUVMICW-CYBMUJFWSA-N 297.171 3.543 30 20 CHED C=C[C@@H](CC(=O)N[C@H](CC)CSC)c1ccccc1 181199256 HPXWNDMVWVSWKC-DZGCQCFKSA-N 277.433 3.604 30 20 CHED CC(C)c1ccc(CN(C)C[C@@H](C#N)CCC#N)cc1 72589919 XAFUXKFAYVAVMY-MRXNPFEDSA-N 269.392 3.685 30 20 CHED Cc1cc(NCc2cc(C#N)ccc2F)ccc1[N+](=O)[O-] 78474466 TYGKVZPHTIXIME-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Cl)c(SC)c1 417297423 SDANLGUDZFTNGA-QMMMGPOBSA-N 270.785 3.758 30 20 CHED N#CC1(c2ccccc2)CC(NCCC[C@H]2CCCCO2)C1 129700437 QQEAQHAZKAMATM-JLAWEPINSA-N 298.430 3.549 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1 33410611 POMIMGJTJRPWKN-WCIBSUBMSA-N 284.286 3.508 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ncccc2C#N)c1C 78307683 YCYAGYFIJQVYOS-KRWDZBQOSA-N 277.371 3.912 30 20 CHED N#CCc1ccc(NC2CCN(C3CCCCC3)CC2)cc1 184745862 SAONHTVYXSCZMM-UHFFFAOYSA-N 297.446 3.962 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 120664814 RRDCVUAPQMPGDB-GQCTYLIASA-N 295.169 3.931 30 20 CHED C[C@@H]1CCC[C@@H](/N=C/c2cc3ccccc3nc2O)C1 125339643 KRFLTBJTLWARPC-IXWQGDBBSA-N 268.360 3.938 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)cc1SC 413891676 DGFNIQHLILRGHO-UHFFFAOYSA-N 261.390 3.849 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ncccc1F 419011777 BTGXEYZTRMZLSF-HNNXBMFYSA-N 267.307 3.582 30 20 CHED CC#CCCCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 185444093 RUVNMBAPVZFHIL-SFHVURJKSA-N 281.399 3.859 30 20 CHED CC1CCC(C)(NC(=O)c2c(F)cc(C#N)cc2F)CC1 130077982 DBWJNVKOXWIZLA-UHFFFAOYSA-N 292.329 3.535 30 20 CHED C=C(C)CN1CCC(NCC2CCC(C)(C)CC2)CC1 502991410 SGKGSRNVQRMWJC-UHFFFAOYSA-N 278.484 3.833 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCCC[C@@H]2C1 78531614 SEIUIKZFLWYZRF-HUUCEWRRSA-N 283.375 3.521 30 20 CHED N#CCCSCc1cc(Br)ccc1F 413013127 NHPZCZUWCPDWIY-UHFFFAOYSA-N 274.158 3.735 30 20 CHED C[C@@H]1C[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)[C@@H](C)O1 414260154 MVPDNDAPTQIHDZ-PHNROFDPSA-N 298.430 3.729 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cccc(-c3cnco3)c2)CC(O)=N1 329433050 KZYIRWJMTPQSHP-CMPLNLGQSA-N 299.330 3.685 30 20 CHED CC(C)Oc1ccc(NC(=O)CC(C)(C)C)cc1C#N 130818087 YYPDOUWMJTYCLA-UHFFFAOYSA-N 274.364 3.720 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1 45403882 CQHZKSSIPJOOIX-UHFFFAOYSA-N 278.355 3.611 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1csc(C2CCCCC2)n1 412167239 AIIXHAPHKGAFDL-NSHDSACASA-N 291.420 3.565 30 20 CHED C[C@@H](N[C@@H]1C[C@H]1c1ccccc1F)c1ccc(C#N)cc1 414192328 VBTZEEFXLUFKJK-PZPSRYQVSA-N 280.346 3.904 30 20 CHED Cc1noc(C)c1C(C)(C)/N=C(/O)[C@@H]1CCCCS1 329189441 CACJTXGAJNIXQU-NSHDSACASA-N 282.409 3.769 30 20 CHED Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)s1 134900362 OCVVTVUDDYEJSL-NWDGAFQWSA-N 271.389 3.735 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@@H]1CSc2ccccc21 135158453 SGEBIWNOQCPIAI-CYBMUJFWSA-N 298.342 3.525 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCc2cc(Cl)ccc21 414171404 UWFCFRHFKQHICK-CQSZACIVSA-N 262.784 3.857 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 410138753 HLDNWIAJDSKSJQ-SRVKXCTJSA-N 277.330 3.826 30 20 CHED CCO[C@@H]1CCN(CCC2(C#N)CCCCC2)C[C@H]1C 411784640 BZQDMRMMGAYCRD-HZPDHXFCSA-N 278.440 3.597 30 20 CHED Cc1ncccc1CN[C@H](CCC#N)c1ccccc1 130388665 ARAKTYLPDUZDRR-QGZVFWFLSA-N 265.360 3.525 30 20 CHED C=C(C)CCNC(=O)N[C@@H](CC(F)F)c1ccccc1 420833617 AFEQQAKRIHEQCZ-ZDUSSCGKSA-N 282.334 3.648 30 20 CHED CCO[C@@H](CCNCc1ccc(C#N)cc1)C1CCCC1 80248721 MOCUSZHKZQQQTE-SFHVURJKSA-N 286.419 3.633 30 20 CHED Cc1cc(N2CC[C@@H](c3c(F)cccc3F)C2)c(C#N)cn1 425245096 TXLWBDOBXBJZOC-GFCCVEGCSA-N 299.324 3.534 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2ccccc2F)SC1=S 48402748 DCBNJHVUVRXNEX-KPKJPENVSA-N 293.388 3.603 30 20 CHED C=CCC[C@@H](NC(=O)C[C@H]1CCCOC1)c1ccccc1 193617870 MOLKKUIZRFHLLB-NVXWUHKLSA-N 287.403 3.627 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 514579889 LSWQRJDXVKPDPA-BZUAXINKSA-N 278.440 3.953 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2ccccc2[C@@H]1C 131574526 AYTHEHGCYATMGY-AWEZNQCLSA-N 269.388 3.901 30 20 CHED CC1(C)Cc2occc2[C@@H](N[C@@H]2CC[C@H](C#N)C2)C1 424331694 SFPWRMMKABBGRY-SCRDCRAPSA-N 258.365 3.575 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(NC(C)=O)cc2)cc1 199470218 FNZJTTXNRFTDIQ-XGICHPGQSA-N 295.338 3.550 30 20 CHED Cc1cc(/C(O)=N/[C@@H]2c3ccccc3CCC[C@@H]2C)cnn1 329855952 XSVQJXJWMDROIB-SJCJKPOMSA-N 295.386 3.803 30 20 CHED CCCCC1CCC(CNC(=O)N(C)C[C@H](C)C#N)CC1 516687403 KDWIFVZRQZVREZ-QQFBHYJXSA-N 293.455 3.784 30 20 CHED Cc1ccc2oc(C(=O)NCC#Cc3ccccc3)cc2c1 80325334 ILQOKNFYXLARAX-UHFFFAOYSA-N 289.334 3.523 30 20 CHED C[C@H](NC[C@@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 192907050 TTXLIKHOZHWUPB-KXBFYZLASA-N 293.414 3.512 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C 425489134 NPEKTQNTXSVVCV-MGPQQGTHSA-N 252.402 3.561 30 20 CHED C=CCCCNc1ccc(C#N)c(C(F)(F)F)c1 88191465 ODEHQYQURGFSQN-UHFFFAOYSA-N 254.255 3.955 30 20 CHED CC(C)OCc1ccc(NC(=O)C2(C#N)CCCC2)cc1 194159780 QRDMDUACYXUZBN-UHFFFAOYSA-N 286.375 3.634 30 20 CHED CCc1ccccc1[C@H]1C[C@H]1C(=O)N(CCC#N)CC1CC1 338535030 HPSLJZTTWHVKJL-QZTJIDSGSA-N 296.414 3.505 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](CC)c1ccc(C)cc1)OCC 339206617 SMTLFMDSEREMOA-DLBZAZTESA-N 289.419 3.934 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](C)COCc1ccccc1 424614350 WHOWQNGNAJWTTL-HNNXBMFYSA-N 289.419 3.558 30 20 CHED Cc1ccc(CNC(=O)C2(C#N)CC(C)C2)c2ccccc12 516956846 XUEVJXPDAFZNHQ-UHFFFAOYSA-N 292.382 3.704 30 20 CHED Cc1ccc2[nH]c(CN[C@@H]3CCC[C@@H]3C#N)cc2c1C 335693645 KSDPGBGOOYIGJX-CZUORRHYSA-N 267.376 3.567 30 20 CHED Cc1ccc(CNc2nc3c(cc2C#N)CCC3)cc1F 338967460 RMGFNFMPGWLRAC-UHFFFAOYSA-N 281.334 3.502 30 20 CHED CC[C@H](C)C[C@H](C)/N=C(/O)N[C@@H]1CCc2c(O)cccc21 330999104 YZRBRWQVEJQVNS-SLEUVZQESA-N 290.407 3.708 30 20 CHED COc1cccc2c1CC/C(=C\c1c(C)noc1C)C2=O 194593272 PBPPEGOGKJQQAF-FMIVXFBMSA-N 283.327 3.513 30 20 CHED CC[C@H](C)CCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 510331591 LOFBGQWGCYJSJA-SMDDNHRTSA-N 278.783 3.847 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc2ccccc2n1 337769656 UWKQKZPCCMUUOQ-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1nsc(N(C)Cc2cccc(Cl)c2)c1C#N 339976701 ZEPWQDMSGWCOED-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](CCCN)c1ccccc1 423513926 VURVHYWFSVPHTB-YQQAZPJKSA-N 260.425 3.657 30 20 CHED C=CCN(CCC#N)CCOc1cc(Cl)cc(Cl)c1 428879942 IGIZEOIDLLKGBB-UHFFFAOYSA-N 299.201 3.774 30 20 CHED C=CCC1(C(=O)N2CCc3ccsc3C2)CCCC1 334786923 PHTQJQCZJJHYBN-UHFFFAOYSA-N 275.417 3.769 30 20 CHED CCC1(c2noc(Cc3c(F)cccc3C#N)n2)CCCC1 519038713 KNOMJXQNXSDHFT-UHFFFAOYSA-N 299.349 3.893 30 20 CHED C[C@H](CN(C)[C@H](C)CC#N)c1cccc(Br)c1 93091071 XXACBIMKUYBKDB-VXGBXAGGSA-N 295.224 3.787 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1CSc2ccccc21 432557394 LOBSGEAZKBAASU-CYBMUJFWSA-N 290.432 3.735 30 20 CHED CCN(CC)CCCC1CCN([C@H]2CC[C@H](C#N)C2)CC1 339082049 PAZRPMMYTLZJNC-ROUUACIJSA-N 291.483 3.513 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(C2CCCCCC2)no1 335360719 OINMRCRHMXNBKZ-OLZOCXBDSA-N 262.353 3.566 30 20 CHED C#CCCCCNC(=O)N1CC=C(c2cccc(C)c2)CC1 92502077 RVOSQFWMKBXNHN-UHFFFAOYSA-N 296.414 3.597 30 20 CHED N#Cc1ccc(CN2CCCC23CCCCC3)c(F)c1 534668296 SIRRXILYRPBHDW-UHFFFAOYSA-N 272.367 3.996 30 20 CHED C#CCCCCN[C@H](C)c1ccc2ccccc2n1 90398161 WAGLFROWOKXELK-CQSZACIVSA-N 252.361 3.689 30 20 CHED Cc1noc(C2CC2)c1N=C(O)[C@H]1CCC(F)(F)C1 330091718 YAAGCTPHACTBAV-VIFPVBQESA-N 270.279 3.884 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2sccc2C2CC2)C1 336418238 MFGIUAGRUFJDNA-BZNIZROVSA-N 288.416 3.828 30 20 CHED CCCOc1c(CN(CC#N)CCC)cccc1OCC 92398308 RNEFRVIWAXCSPW-UHFFFAOYSA-N 290.407 3.610 30 20 CHED CCc1ccccc1CN(C#N)c1ccc(F)c(C#N)c1 438303096 WDQCHBMIHBLULE-UHFFFAOYSA-N 279.318 3.747 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CCc1cccnc1 527182442 IRKMLFVNISFEKC-UHFFFAOYSA-N 294.398 3.619 30 20 CHED Cc1oc(C#N)cc1C(=O)NCc1cccc2ccccc12 435686244 SBXJARMDHPQSJB-UHFFFAOYSA-N 290.322 3.543 30 20 CHED C=CCCN(C)C(=O)c1ccc2ccc(Cl)cc2n1 342009882 VVZOMRSKTSWUEO-UHFFFAOYSA-N 274.751 3.536 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC=C(c2ccccc2)C1 521919041 UDVOJJHSAHWPMU-QGZVFWFLSA-N 284.403 3.840 30 20 CHED C=CCCCN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 347922484 CRQJJNNHYDAEKV-JTQLQIEISA-N 289.345 3.679 30 20 CHED CSCc1ccc(C(=O)Nc2ccccc2CC#N)cc1 344327468 DAXDODNMMZNSHE-UHFFFAOYSA-N 296.395 3.868 30 20 CHED C=CCC[C@@H](NCCCCN1CCC[C@H](C)C1)C1CC1 245921275 GKRWDJQSJKLZBP-FUHWJXTLSA-N 278.484 3.833 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](C)c1ccccc1Cl 246055570 VGNMHKGKNYXIEB-STQMWFEESA-N 267.800 3.660 30 20 CHED C=CCSCCNC(=O)c1ccc(-c2cccs2)o1 341410770 RDPBABMLDIRLKS-UHFFFAOYSA-N 293.413 3.657 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)c1cc(C#N)cs1 437734798 QZGPHENJVITEJI-VXGBXAGGSA-N 290.432 3.954 30 20 CHED C=CCCC1(c2nc(COCc3ccccc3)no2)CC1 346314800 KJBYRXHEDIUHKM-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C[C@@H]1[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)[C@@H]1C1CC1 528916806 WUGLQBOEVMSDOD-GITXURBOSA-N 290.366 3.703 30 20 CHED Cc1c(C(=O)NCCCCC#N)sc2cc(F)ccc12 345100819 DRSROXFGEFGEHZ-UHFFFAOYSA-N 290.363 3.773 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 432835824 QLTLTPZSSRATOA-UHFFFAOYSA-N 292.338 3.712 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@@H](Cc3ccccc3)C2)c1 342957945 FRQNMSNDKSCYCP-RDJZCZTQSA-N 277.371 3.777 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(F)cc2C)no1 528127613 BGRNCLKKPLDALS-UHFFFAOYSA-N 273.311 3.766 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1F 255549213 LXPHCAJBOTVCPE-ARJAWSKDSA-N 287.315 3.664 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCN(C)c2ccccc2C1 442684625 XVLFSQRBNVWNQN-HNNXBMFYSA-N 291.398 3.571 30 20 CHED C[C@H](CC#N)NCc1ccc(OCc2ccc(F)cc2)cc1 602867455 CEAXSOKGMCXAAH-CQSZACIVSA-N 298.361 3.796 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cccnc2)cc1OCC 255141658 VECLURIGOTULRX-CLFYSBASSA-N 297.354 3.775 30 20 CHED CCCC[C@H](NC(=O)c1ccc(CC#N)cc1)C1CCC1 535442617 VIPNUFKPLCHIIP-KRWDZBQOSA-N 284.403 3.841 30 20 CHED Cc1cc(C)cc(OCCSc2ccc(C#N)cn2)c1 603496663 PNQHWSYFLWGWNK-UHFFFAOYSA-N 284.384 3.741 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cccn1C1CCCC1 359770758 HDDMFDIQSLYCEJ-UHFFFAOYSA-N 287.407 3.663 30 20 CHED C[C@H](N[C@H]1CCCC1(C)C)c1ccc(C#N)c(F)c1 537406966 LBXUJJCKFXWKKH-NHYWBVRUSA-N 260.356 3.927 30 20 CHED CC1(C)CC[C@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 358960933 VJTAUNDKTMWMGN-INIZCTEOSA-N 296.414 3.876 30 20 CHED C=C[C@@](C)(CC)C(=O)N1Cc2ccc(OC)cc2C2(CC2)C1 359659323 POWAOMHJOVFYFZ-SFHVURJKSA-N 299.414 3.671 30 20 CHED C=CCCOCCCCC(=O)N1CC2(CCC2)[C@@H]1C1CC1 359258354 IZHBAAHKTWBREL-KRWDZBQOSA-N 291.435 3.541 30 20 CHED CCC[C@H](C)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 269691600 ONAIPWWEDCTKLL-HOCLYGCPSA-N 287.407 3.861 30 20 CHED C[C@@H](NC(=O)N1CC[C@@H](C)C(C)(C)C1)c1cccc(C#N)c1 612771819 UVMPZTKWCNXHCL-ZIAGYGMSSA-N 299.418 3.697 30 20 CHED CC(NCC1(C#N)CC1)(c1ccccc1)c1ccccc1 537290692 JCRBPKUUIMMDPO-UHFFFAOYSA-N 276.383 3.843 30 20 CHED C=CCOc1ccccc1OCc1cccc(F)c1 532846677 PCACWDLEPGCDTD-UHFFFAOYSA-N 258.292 3.970 30 20 CHED C=CCCCCNC(=O)N1CCCC2(CCCC2)C1 446641646 HNWFUBPQNIBJNW-UHFFFAOYSA-N 264.413 3.709 30 20 CHED CN(CCCC(C)(C)C#N)C[C@H]1OCCc2ccccc21 266892687 FLNWLKWOXBEOKK-QGZVFWFLSA-N 286.419 3.562 30 20 CHED C=CCOc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2CC)cc1 357757194 HTYQUFLKMQTBJC-ZFWWWQNUSA-N 273.376 3.655 30 20 CHED C=CCCC(=O)Nc1ccc(OCc2ccncc2)cc1 354942445 ZLPZFKGVOLNJKT-UHFFFAOYSA-N 282.343 3.565 30 20 CHED CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F 442773042 BUUVBCVGDILGJA-GHJWDPDVSA-N 278.346 3.944 30 20 CHED CC[C@H](NC[C@H](CC(C)C)N(C)C)c1ccc(C#N)cc1 447539357 GVDIFOPNTGDJTC-ROUUACIJSA-N 287.451 3.575 30 20 CHED COc1cc(C)cc(CNC2CCC(C)(C#N)CC2)c1 449213803 XGULUVOWXXUDFG-UHFFFAOYSA-N 272.392 3.566 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCc2ccc(F)cc2F)C1 617781286 JKIRHBDHIMPGEE-ZDUSSCGKSA-N 293.357 3.712 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(F)ccc2C)C1 617787698 VFNOSLCVUBPPEU-CYBMUJFWSA-N 261.340 3.562 30 20 CHED Cc1cscc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 610973668 XVZBSADWGJJESO-NSHDSACASA-N 285.372 3.811 30 20 CHED C=CCCc1noc([C@@H]2[C@@H](c3ccccc3)C2(F)F)n1 453225008 CTQDRQOJZYHSMK-OLZOCXBDSA-N 276.286 3.705 30 20 CHED N#Cc1ccc(CNc2ccc([C@H]3CCOC3)cc2)cc1F 453110158 AEWYTZJNEDPYHK-INIZCTEOSA-N 296.345 3.813 30 20 CHED C=CC(C)(C)CNC(=O)C/C=C\c1ccccc1F 452778104 WWSMCWXVYQDJDL-CLFYSBASSA-N 261.340 3.557 30 20 CHED C=C(CC)CNC(=O)CCCc1nc2ccccc2s1 456826423 IUZDHYWBOAKRLR-UHFFFAOYSA-N 288.416 3.701 30 20 CHED C[C@]1(C#N)CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 613284589 XOMVNKAVRJFUEF-CQSZACIVSA-N 293.292 3.707 30 20 CHED C=CC(C)(C)CNC(=O)NCc1c(F)cccc1SC 455039261 GJBYWXQWDWWBRW-UHFFFAOYSA-N 296.411 3.559 30 20 CHED CO[C@]1(C)C[C@@H](Nc2nc(C)c(C#N)cc2Cl)C1(C)C 360074163 QGGBPRHCCGCSQL-IUODEOHRSA-N 293.798 3.531 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(CC#N)cc1 452420228 MCGZUXSYHPAFOO-RDJZCZTQSA-N 284.403 3.699 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 450276480 PASHLGLTBUBKRT-AWEZNQCLSA-N 293.794 3.532 30 20 CHED C[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)C1CCC1 457828108 XQTXKSMEOZVJBQ-SNVBAGLBSA-N 276.767 3.781 30 20 CHED C=C(CC)CNC(=O)N(Cc1cccs1)C(C)C 459068682 CYXLEPNDGDUJAO-UHFFFAOYSA-N 266.410 3.634 30 20 CHED Cc1ccc2cccc(NC(=O)NCC(C)(C)CC#N)c2n1 459388030 KOWPGLXZLMFDNR-UHFFFAOYSA-N 296.374 3.605 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@H]1c1sccc1C 274509100 WYLUDNFEOYLUNK-OLZOCXBDSA-N 263.406 3.633 30 20 CHED C=CCN(CC=C)C(=O)Cc1ccccc1OC1CCCC1 457363347 AYNMIFMTQMFQBI-UHFFFAOYSA-N 299.414 3.751 30 20 CHED CCC[C@@H](NC(=O)CCc1ccc(C#N)cc1)C1CCC1 458291905 CESOQRZSFIEAJR-QGZVFWFLSA-N 284.403 3.576 30 20 CHED Cc1ccccc1OCCCn1nc(C#N)c2ccccc21 544207778 ALBIJLDQSCOCRH-UHFFFAOYSA-N 291.354 3.686 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1c(F)cccc1F 455373288 VWQNXHYUDRJTDQ-LLVKDONJSA-N 296.361 3.879 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1CCCCS1)c1ccccc1 543129035 JFOBWLKTALFPKX-GDBMZVCRSA-N 289.444 3.748 30 20 CHED CCCCCCCC(=O)Nc1cc([C@H]2CCCO2)nn1C 279318397 OHZUYAFAYRYEMN-CQSZACIVSA-N 293.411 3.571 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1c1ccnc(C#N)c1 450593099 ASTCLMKQLYIHTI-HBUWYVDXSA-N 277.371 3.724 30 20 CHED C=CCC1(C(=O)N2CC[C@H](OC)C(C)(C)C2)CCCCC1 452862995 LNKRJXHLFUZRJL-HNNXBMFYSA-N 293.451 3.787 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N[C@@]1(C)CC=CCC1 459355988 IPVMVVXXMGQTDL-KRWDZBQOSA-N 299.374 3.577 30 20 CHED CCCC[C@H](C)C(=O)N[C@@](C)(C#N)C1CCCCC1 548828507 GKOXQEDLOXHCEC-BBRMVZONSA-N 264.413 3.791 30 20 CHED C=CCN(C(=O)[C@H]1CCCc2sccc21)C(C)(C)C 622944297 MLGLIANGJOSVRJ-ZDUSSCGKSA-N 277.433 3.981 30 20 CHED C=CCN(C(=O)c1c(Cl)c2ccccc2n1C)C1CC1 271521236 MZUJXSRPQGNAFW-UHFFFAOYSA-N 288.778 3.622 30 20 CHED CS[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])C(C)(C)C 450438735 MQCGPXZGYDMDIV-GFCCVEGCSA-N 293.392 3.656 30 20 CHED C[C@H](NCCCNc1ccccc1)c1ccc(C#N)c(F)c1 271934338 JPIFABKEGVCYRY-AWEZNQCLSA-N 297.377 3.850 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(CN(C)C)c(C)c1 458265110 NARROAJEWGIUJW-UHFFFAOYSA-N 274.408 3.597 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1cc2ccccc2o1 454512533 HEZRTFNCJGIGIQ-GFCCVEGCSA-N 272.348 3.759 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)Cc1ccc(C)s1 542186238 STTKENLNIGDHMH-WCQYABFASA-N 280.437 3.641 30 20 CHED CN(CCCCC#N)[C@@]1(c2ccccc2)CCCCC1=O 276260412 AXWZZAUBRPMQLZ-GOSISDBHSA-N 284.403 3.651 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(CCc3ccc(O)cc3)CC2)C1 549367139 ZXQRCVKFDSBQHR-ZWKOTPCHSA-N 298.430 3.729 30 20 CHED C=CCN(C(=O)NCc1cc(Cl)ccc1C)C1CC1 467094339 UOXGRJYOZHGQKK-UHFFFAOYSA-N 278.783 3.508 30 20 CHED CC(C)(C#N)CCN(Cc1cccnc1)Cc1ccco1 272963316 XORDPQLTIPROKF-UHFFFAOYSA-N 283.375 3.617 30 20 CHED C#CCCCN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 378106316 XTDWVKOHUUQFBM-GRYCIOLGSA-N 267.825 3.897 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)c1ccc(Cl)s1 281380943 NSMCINQAOAYPDV-ZJUUUORDSA-N 271.813 3.976 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c[nH]cc1-c1ccc(F)cc1 467683829 DGNQPIBRGYNHCV-CQSZACIVSA-N 286.350 3.905 30 20 CHED C=C(C)CCc1noc([C@@H](C)Oc2ccc(C#N)cc2)n1 285211027 UATSPWWFULNTCE-GFCCVEGCSA-N 283.331 3.590 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 466779347 YZEVFRSYYOLMSK-SJORKVTESA-N 286.419 3.615 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)c3ccccc3n2)cc1 557510546 YGKCZCKMZROZBJ-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C[C@@H](c1cccs1)N(C)CCCC1(C#N)CCOCC1 281966054 KTHNPTHNCPXBFG-AWEZNQCLSA-N 292.448 3.841 30 20 CHED CCC(CC)CC(=O)Nc1cc(C#N)cn1C(C)(C)C 469153326 ZFQFIIMBKZDARW-UHFFFAOYSA-N 275.396 3.880 30 20 CHED CN(CC[C@H]1CCCCN1C)c1ccc(Cl)cc1C#N 463077880 NZBBNQRJETZEDV-OAHLLOKOSA-N 291.826 3.522 30 20 CHED N#C[C@H](NC(=O)Cc1coc2ccccc12)C1CCCCC1 556878950 AQOKNTLADSORTI-INIZCTEOSA-N 296.370 3.564 30 20 CHED C=Cc1ccc(CCNCc2ccc(C#N)c(C)c2)cc1 462913696 MOROTJNNQKGOMK-UHFFFAOYSA-N 276.383 3.842 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1C[C@H]2CCC[C@H](C1)C2 469270205 ZORVBMUJZABACO-STQMWFEESA-N 298.386 3.722 30 20 CHED C=CC[C@H](CC)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 467414265 SGGMLVXXRPYYJV-SZMVWBNQSA-N 272.436 3.766 30 20 CHED C=CCCN(C)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 467064371 MDLSGEDAFMVCAE-ZDUSSCGKSA-N 279.811 3.943 30 20 CHED C=CCCc1ccccc1NC(=O)c1ncc2n1CCCC2 632882512 DKZPMHJNXZDYQI-UHFFFAOYSA-N 295.386 3.590 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2cc3ccccc3s2)C1 556232311 IODUTPGZHCINFP-TZMCWYRMSA-N 270.401 3.726 30 20 CHED Cc1cc(C(F)(F)F)nn1[C@H](C)c1cccc(C#N)c1 289966296 WYJFSVSHODYFJO-SNVBAGLBSA-N 279.265 3.691 30 20 CHED COc1ccccc1/C=C1\Cc2nc(Cl)ccc2C1=O 806579700 OCYKXDFVKJUROF-DHZHZOJOSA-N 285.730 3.566 30 20 CHED C[C@H](CCC#N)Sc1nc(C(F)(F)F)ccc1C#N 298125569 BXSFOEXLBRCSLX-MRVPVSSYSA-N 285.294 3.756 30 20 CHED CC(C)(CCC#N)CNCc1ccc2c(c1)CC(C)(C)O2 808429152 CBJRXJKIRGZQDN-UHFFFAOYSA-N 286.419 3.820 30 20 CHED CC(=NOCc1cccnc1)c1cc(Cl)cc(C)c1O 807978829 DXFQTBYBACUELU-UHFFFAOYSA-N 290.750 3.690 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2cn(C(C)C)nn2)cc1 807964309 DIWGHFFJQWMNAA-CQSZACIVSA-N 299.422 3.667 30 20 CHED C[C@H](C#N)OCCS[C@H](C)c1ccc(F)cc1 801658043 UBBHUBFZYFNBLT-GHMZBOCLSA-N 253.342 3.549 30 20 CHED C=CCC[C@H](C(=O)O[C@H]1CC[C@@H](OC)C1)c1ccccc1 800031710 UFNLVVJDICVJTH-IKGGRYGDSA-N 288.387 3.847 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1Cc1ccc(C#N)cn1 569468998 KZKDJKAUXCVUIJ-QWHCGFSZSA-N 295.361 3.600 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(C)cc(C)n2)c1 800878472 URXBDCCKVAGFFI-UHFFFAOYSA-N 296.370 3.906 30 20 CHED N#CCc1ccc(CN2CCCc3cc(C#N)ccc32)cc1 568176656 BCZHNLYAHJQKIL-UHFFFAOYSA-N 287.366 3.577 30 20 CHED Cc1ccc(-c2noc(CSCC3(C#N)CCC3)n2)cc1 562828067 SBBBRFPLYUHBKG-UHFFFAOYSA-N 299.399 3.972 30 20 CHED C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cn2)C1 567103406 ZPJIPODZAXIZTO-LJQANCHMSA-N 291.398 3.507 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] 804682405 IZMSQUCLYSMDCL-IINYFYTJSA-N 296.754 3.641 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCC[C@@H]2CCCF)c1 800974083 GEACHCLTZMBPJO-CJNGLKHVSA-N 278.346 3.705 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(C)cc(C)n2)C(C)C)c1 800882680 PVQQLRQQOSYXEL-UHFFFAOYSA-N 292.382 3.735 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@H](C2CC2)C1)c1ccccc1 291050624 ZUNOPOQYKHMQFK-YJBOKZPZSA-N 283.415 3.995 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 477010486 JJOGVXFPFSVFLK-OLZOCXBDSA-N 275.417 3.662 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H](C)C#N 297659459 BQDCQJZQEWYTOF-VHSXEESVSA-N 299.201 3.542 30 20 CHED C[C@@](C#N)(NC(=O)c1ccoc1Cl)C1CCCCC1 562420737 WSZJDARCBWYKLR-AWEZNQCLSA-N 280.755 3.525 30 20 CHED CCC(CC)(NCCO[C@@H](C)C#N)c1ccc(Cl)cc1 801932276 XTPKLPPSXWNCGF-ZDUSSCGKSA-N 294.826 3.874 30 20 CHED C[C@H]1CN(CCOc2ccccc2C#N)c2ccccc21 398511876 RCQMDUAUPMSATC-AWEZNQCLSA-N 278.355 3.561 30 20 CHED C[C@H]1/C(=C\c2ccc(O)c(F)c2)C(=O)c2ccccc21 809156218 JUNDUAWFGSOKTP-WWNSAXIVSA-N 268.287 3.915 30 20 CHED C=CC1CCN(c2ncc(Cl)cc2Cl)CC1 561194309 ZMIHVVYTJQHSJY-UHFFFAOYSA-N 257.164 3.791 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)c1cccs1 568301317 BGZYGOWHBVMHSY-BLLLJJGKSA-N 290.432 3.830 30 20 CHED C=CCC1(C(=O)NCc2ccoc2C)CCCCC1 648177275 SDCKIUJPWNFSGQ-UHFFFAOYSA-N 261.365 3.731 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 487861025 WGDVXLNJYWDGFW-KGLIPLIRSA-N 290.382 3.679 30 20 CHED CCC[C@@H](C(=O)Nc1ccccc1CC#N)c1ccccn1 565202201 VWTHGXJYJITGCF-OAHLLOKOSA-N 293.370 3.670 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1cccc(F)c1C#N 487588409 UYBNWPHKHKOWIL-GFCCVEGCSA-N 276.355 3.642 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C#N)ccc1NCCC 815687407 PPRWVMPQCNUSFK-UHFFFAOYSA-N 293.317 3.530 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@H]2CCCC[C@@H]12 483678855 DWMVAAAAAJJFHC-PVUWLOKVSA-N 272.367 3.708 30 20 CHED CC(C)[C@@H]1CC(=NNc2nc3ccccc3n2C)CS1 814807439 WBHXHGXQLUCHCC-AWEZNQCLSA-N 288.420 3.503 30 20 CHED C=CC[C@@H](C(=O)OCCC1CCOCC1)c1ccccc1 814466954 SFHBEIYGBCZROY-QGZVFWFLSA-N 288.387 3.706 30 20 CHED CC(C)(C)c1ccc(C=NNC[C@H]2CCSC2)cc1 811660499 OERBANGNOUACJO-CQSZACIVSA-N 276.449 3.661 30 20 CHED CCOc1ccc(NN=C(C)c2sccc2O)cc1 814984794 URUVSXKGDBAWQH-UHFFFAOYSA-N 276.361 3.689 30 20 CHED C#Cc1ccccc1CC(=O)OCc1cccc(SC)c1 810804274 NSUISUCCAHVJFJ-UHFFFAOYSA-N 296.391 3.676 30 20 CHED Cc1cccc(C2=CCN(c3ccc(C#N)c(C)n3)CC2)c1 488099850 LKLUUIXDTJVYGH-UHFFFAOYSA-N 289.382 3.864 30 20 CHED Cc1cccc(NN=Cc2ccc3oncc3c2)c1 814687810 VCCYEDIUSRJXEI-UHFFFAOYSA-N 251.289 3.582 30 20 CHED Cc1ccc([C@]2(C)CCN(c3cc(C)nc(C#N)c3)C2)cc1 561325709 RGYXAIBYRVKTIN-LJQANCHMSA-N 291.398 3.738 30 20 CHED CC(C)(C)C1CCC(CC(=O)N(CC#N)C2CC2)CC1 481141608 PTLNDAHONWMWLA-UHFFFAOYSA-N 276.424 3.744 30 20 CHED C=C(C)CCOC(=O)c1c(CC)nc2ccc(Cl)cn12 812646217 ISVQKAKXIRJWJH-UHFFFAOYSA-N 292.766 3.673 30 20 CHED Cc1cccc(C=NOC/C=C\Cl)c1OC(F)F 811668286 DCLWGNIHBHQRFE-AIEBDEASSA-N 275.682 3.699 30 20 CHED C(=NNc1nnc(-c2ccccc2)s1)c1cccs1 814947346 MSRBKVBTJWHSJB-UHFFFAOYSA-N 286.385 3.713 30 20 CHED C[C@H](OC(=O)C1(F)CCCCC1)c1ccc(C#N)cc1 810606390 LMPPIWUONQGQDK-LBPRGKRZSA-N 275.323 3.835 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc3oncc3c2)c1 814753743 XVDICUZXSASZRY-UHFFFAOYSA-N 265.316 3.891 30 20 CHED C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 483072622 WJHREIFMOVFGNN-ACJLOTCBSA-N 280.346 3.890 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCC1CC(OCC)C1 657986462 MQKXGODDBVWFOK-MYBQVCMBSA-N 265.441 3.916 30 20 CHED N#Cc1ccccc1NCc1ccc(OC(F)F)cc1 19921349 UMXNEDQVCBNTTK-UHFFFAOYSA-N 274.270 3.772 30 20 CHED CCCOc1ccc(C=Nn2cnc3ccccc32)cc1 725849007 PNFPAKZQTFFXFK-UHFFFAOYSA-N 279.343 3.707 30 20 CHED C=C(C)CN(CC)Cc1cc(OC)ccc1Cl 483529490 ZLRUMLFXRXWQLC-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C=CCCCC(=O)Oc1ccc(Cl)cc1OC 817482931 KOHWHVMPAWWLIP-UHFFFAOYSA-N 254.713 3.610 30 20 CHED CC1CCC(=NN[C@@H](C)COc2ccccc2)CC1 811667010 NGIIFEUAGJWNHJ-KZUDCZAMSA-N 260.381 3.610 30 20 CHED C#CCCCCC(=O)Nc1cnc(Cl)cc1Cl 813379934 KHYQAWSJBVOREU-UHFFFAOYSA-N 271.147 3.521 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc(O)c(F)c1 728427976 MYMYKZXOEALJOU-UHFFFAOYSA-N 272.323 3.984 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)nc1 728863296 KUFSAHWOYSBUEW-KRWDZBQOSA-N 296.414 3.638 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(CC)C[C@@H](C)C#N 727673911 HQAOMCBBIFTOOK-CABCVRRESA-N 266.429 3.991 30 20 CHED C=CCN(c1nnc([C@H](CC)c2ccccc2)n1C)C1CC1 571126780 NAMCWXUBANPWRG-MRXNPFEDSA-N 296.418 3.512 30 20 CHED CCOCC(C)(C)CNc1c(Cl)cccc1C#N 575019219 BRHFSFWHJORHAL-UHFFFAOYSA-N 266.772 3.686 30 20 CHED C=CCC1(NCc2nc(CCC(C)C)no2)CCCC1 661848714 OGTIYPKAYBWLHU-UHFFFAOYSA-N 277.412 3.637 30 20 CHED Cn1ncc(N[C@H]2CCC[C@H](C#N)C2)c1-c1ccccc1 589190206 FPKQLLJXKPLSKX-ZFWWWQNUSA-N 280.375 3.581 30 20 CHED Cc1ccc(N(C)Cc2ccc(OCC#N)cc2)c(C)c1 729268193 PYNXAUALRQKKRQ-UHFFFAOYSA-N 280.371 3.842 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCCSC1 588232485 IVLXKZASZBLQAC-PBHICJAKSA-N 286.444 3.668 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCc2ccccc2[C@H]1C 583232546 WPRHNLRYRMWHRV-CQSZACIVSA-N 296.418 3.711 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccccc2C#N)c1 588618502 WNKWRIQIPCLGII-CLFYSBASSA-N 265.287 3.902 30 20 CHED CC/C(C)=C/C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 823222871 RTBGWGASLKGRPL-UTSBKAFOSA-N 296.292 3.743 30 20 CHED C=C(C)C[C@H](NC(C)=O)c1nc([C@@H]2CCCC[C@@H]2C)no1 664782346 LFAGQTYLXMZOLZ-YUTCNCBUSA-N 291.395 3.507 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(NC(=O)OCC)cc1 496177682 XMFGDCUMVIEDTO-UHFFFAOYSA-N 291.347 3.763 30 20 CHED CC[C@@H](NCCC[C@H]1CCCCO1)c1cccc(C#N)c1 902952067 UFSUZFIXLWKISW-QZTJIDSGSA-N 286.419 3.948 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1CC#N 580479178 OFRWBFCNLLEQKD-HIFRSBDPSA-N 270.376 3.908 30 20 CHED COc1cccc(NN=C2CCc3ccc(C)cc32)c1 730947782 IQKOYFPSZFVUMH-UHFFFAOYSA-N 266.344 3.766 30 20 CHED C#CCN(C(=O)Nc1cccc(CSCC)c1)C1CC1 491296802 NEMLSGHBBUMYJN-UHFFFAOYSA-N 288.416 3.569 30 20 CHED CC(=NNc1ccccc1Cl)c1cncc(F)c1 737415881 IJRUURRMNSIRHI-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C[C@@H](/N=C/c1cccc(O)c1O)c1nc2ccccc2s1 734095835 HMSHTZHZPMUSFR-IYPWXLATSA-N 298.367 3.888 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(Cl)cc2)C1(C)C 736429040 NOWISMUSWKIJLF-CYBMUJFWSA-N 266.772 3.943 30 20 CHED C[C@H](NN=C1CC(c2cccc(F)c2)C1)C(F)(F)F 834998917 YTJAOHBTZMMAJU-PEHGTWAWSA-N 274.261 3.600 30 20 CHED Cc1cc(CN[C@@H]2c3ccc(F)cc3O[C@@H]2C)ccc1C#N 582510504 XCYLUJRBJKGPAD-XIKOKIGWSA-N 296.345 3.618 30 20 CHED C#Cc1ccc(NCc2ncc(C(C)(C)C)o2)cc1 901517188 OLEAEFRZQCASQU-UHFFFAOYSA-N 254.333 3.566 30 20 CHED C=CCC1(C(=O)N=[S@](C)(=O)C(C)C)CCCCC1 906193344 AZQFLRIWYJIIJH-GOSISDBHSA-N 271.426 3.546 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)OCC1(C)C 734343390 DVWNLJVPJJZNLO-UHFFFAOYSA-N 269.429 3.763 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@@H](C)c2ccccc21 582809069 FFEKSBJLFXTKBT-KNCCTNLNSA-N 271.404 3.806 30 20 CHED C=CCCC[C@H](NCc1ccc(CCC)s1)C(=O)O 900068557 KLOXLFVZZOVFGP-AWEZNQCLSA-N 281.421 3.600 30 20 CHED CCOc1cccc(C=Nc2cc3c(cc2C)OCO3)c1O 588417545 AGEHLRIKBZUAHQ-UHFFFAOYSA-N 299.326 3.579 30 20 CHED CC(C)(C(=O)OCCCCC1(C#N)CCC1)C(F)F 909270691 NMOZDZYESTXJFY-UHFFFAOYSA-N 273.323 3.685 30 20 CHED C=CCC[C@@H](CC)N[C@H](C(=O)O)c1cccc(C)c1C 901852465 NIHBPQWCYRZPSY-ZBFHGGJFSA-N 275.392 3.764 30 20 CHED C=C(C)CCc1noc(CCc2ncc(C(C)(C)C)o2)n1 581395974 GEDZTUQMFONLBJ-UHFFFAOYSA-N 289.379 3.649 30 20 CHED CSCCCC=NNc1cc(Cl)ccc1[N+](=O)[O-] 835008765 ISXLWVJPYGPIAQ-UHFFFAOYSA-N 287.772 3.789 30 20 CHED C=C(C)CN1CCC(NCc2cscc2Cl)CC1 676415482 BMYGAFLDLXLMAS-UHFFFAOYSA-N 284.856 3.532 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)c1c(Cl)cccc1Cl 736238526 JZYOBOZBPSALSC-MRVPVSSYSA-N 292.593 3.966 30 20 CHED CCCCCCCCC(=O)N[C@H]1C[C@@H](C)n2ccnc21 836961634 ZGFVDKHCYUUHJU-KGLIPLIRSA-N 277.412 3.756 30 20 CHED C[C@H](c1ccco1)N(C(=O)CCCCCC#N)C1CC1 588890792 OKKILYDOXZDQMY-CYBMUJFWSA-N 274.364 3.806 30 20 CHED CC(=NNc1c(C)cccc1Cl)c1cn(C)c(C)n1 835011375 PJRDRIBGSAJBMR-UHFFFAOYSA-N 276.771 3.526 30 20 CHED N#CCCCCCC(=O)Nc1nc(-c2ccco2)cs1 588295280 KJUAUROXJCHQHU-UHFFFAOYSA-N 289.360 3.816 30 20 CHED Fc1ccc(C=NNc2c(F)cccc2F)c(F)c1 735615775 XPKCAIWYQKYDEI-UHFFFAOYSA-N 268.213 3.689 30 20 CHED CCC[C@H](C=NNc1nccc2sccc12)OC 834941748 JXDTVIIEIRNJJP-SNVBAGLBSA-N 263.366 3.509 30 20 CHED FC(F)(F)c1cccnc1NN=C1CCCCC1 915051553 ZHTPZVANKWFNSL-UHFFFAOYSA-N 257.259 3.832 30 20 CHED Cc1ccc(-c2ncco2)cc1NC(=O)C#CC(C)(C)C 837501126 KSHSKPOVNBPVMD-UHFFFAOYSA-N 282.343 3.638 30 20 CHED N#Cc1cnc(Nc2ccc(N3CCCC3)cc2)c(Cl)c1 734142170 SBQGHGUKECXEKW-UHFFFAOYSA-N 298.777 3.950 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCc1c(F)cccc1F 917556426 ACNMZESXTWPUMP-OCKHKDLRSA-N 295.716 3.985 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(Cl)s2)C1 839045032 XAEQKRYTYAHZJV-RKDXNWHRSA-N 269.753 3.641 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cc2ccccc2o1 678881611 PFYAOWFFASFJOE-CYBMUJFWSA-N 271.360 3.836 30 20 CHED C#CCC[C@H](C)OC(=O)c1cnc2ccccc2c1C 839037424 RDYVCURMCQHWLI-LBPRGKRZSA-N 267.328 3.502 30 20 CHED COc1ccc([C@H]2CCN([C@H](C#N)c3ccccc3)C2)cc1 595300176 AVVAXUQPXKAJET-PKOBYXMFSA-N 292.382 3.749 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H](C)Oc2cccc(C)c2)c1 741841623 BRALYWFFSQWPBE-VCRXTVNUSA-N 299.370 3.596 30 20 CHED CCN(C(=O)c1cc2cc(Cl)ccc2s1)[C@H](C)C#N 598351201 WYJNZINMHHCTNM-SECBINFHSA-N 292.791 3.929 30 20 CHED C[C@@H](OC(=O)[C@H]1Cc2ccccc21)c1cccc(C#N)c1 744102133 NNONJLNBSFSDOD-PXAZEXFGSA-N 277.323 3.502 30 20 CHED Fc1ccc(F)c(CNN=Cc2nccc3ccccc23)c1 740761803 LPSVQBPYKARXGI-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C[C@H]1CCC[C@H](CC(=O)OCC(=O)c2cccc(C#N)c2)C1 748271895 XJOSBURNAMLNGG-KBPBESRZSA-N 299.370 3.501 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)Oc2ccc(F)cc21 749746617 MTFCYSGQNHJDOH-MKMNVTDBSA-N 276.213 3.720 30 20 CHED CC1(C)C[C@H](CNc2nc3ccccc3cc2C#N)CCO1 840312178 JRVOMCQCPMFUCU-CYBMUJFWSA-N 295.386 3.724 30 20 CHED CC(C)N(C)Cc1ccccc1C/N=C\c1ccccc1O 915270904 FDXYSZLGTFGQLU-MOSHPQCFSA-N 296.414 3.852 30 20 CHED CC(=NNc1nccc2sccc12)c1ccccc1O 915978033 AVKWIWRLAZSVET-UHFFFAOYSA-N 283.356 3.838 30 20 CHED C=CCC[C@@H](O)CN(C)c1ccc(-c2nccs2)cc1 846997309 WSTDYIJUFHUVSK-OAHLLOKOSA-N 288.416 3.573 30 20 CHED C(=NNc1nncc2ccccc12)c1nccc2ccccc12 740760272 PCMIGDFMCKKYAI-UHFFFAOYSA-N 299.337 3.624 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccsc1 749098620 CVXZYNSINDUKQX-UHFFFAOYSA-N 285.294 3.998 30 20 CHED C=CCC[C@H](C)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C 843415191 BFSDRPUSSUEPST-MJBXVCDLSA-N 284.444 3.623 30 20 CHED CCCCC[C@@H](C)CC(=O)N(CC#N)C1CCCC1 742694739 NNKOIOZCXSNWGS-CQSZACIVSA-N 264.413 3.888 30 20 CHED Cc1ccccc1CCN(C)[C@@H](C#N)c1ccccc1 595508134 UGTAIPPNYFZDLD-SFHVURJKSA-N 264.372 3.734 30 20 CHED Cc1cnc(COc2nc3c(cc2C#N)CCCCC3)s1 918688294 LROPJFXMJWTOJS-UHFFFAOYSA-N 299.399 3.566 30 20 CHED CCCCOc1ccc(OC)cc1NCC1(CC#N)CC1 594701655 RRGQZYIMEUEBGR-UHFFFAOYSA-N 288.391 3.980 30 20 CHED C#CCOc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CCC)cc1 742801841 JBBGWLVJKZEDLQ-YJBOKZPZSA-N 299.414 3.739 30 20 CHED C=CC[C@H](C)NCc1cc(Br)cnc1Cl 842682932 CZMRMIGFFQMDIO-QMMMGPOBSA-N 289.604 3.552 30 20 CHED N#CCOc1cccc(OC(=O)CCC2CCCCC2)c1 841342322 CWXNHCQYBFCNHP-UHFFFAOYSA-N 287.359 3.855 30 20 CHED C#CCCCNC(=S)Nc1cc(Cl)cc(Cl)c1 743011735 UBFNICWENLOREC-UHFFFAOYSA-N 287.215 3.693 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](C)c1ccc2ccccc2c1 594096719 GUTPDWZCYVVGAO-DYVFJYSZSA-N 280.371 3.704 30 20 CHED N#Cc1ccc(C(=O)N[C@@H](C2CCCCC2)C2CCC2)o1 843716579 PTUHVUCXZFJUFD-INIZCTEOSA-N 286.375 3.630 30 20 CHED C#C[C@@H](OC(=O)CC[C@@H](C)SC)c1ccc(F)cc1 842408337 UARWHKNMOCGILL-BXUZGUMPSA-N 280.364 3.575 30 20 CHED Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](CC#N)C1 596447995 SCEZTIUKJGXOSG-LBPRGKRZSA-N 291.782 3.806 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc2occc2c1 599906062 XQBUXKLMUDJPMT-UHFFFAOYSA-N 285.347 3.884 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2cccc(F)c2)c1 914773811 YCUVKPVHVGHHEE-WOJGMQOQSA-N 273.307 3.549 30 20 CHED Cc1cc(C)c(C#N)c(SC/C(Cl)=C\Cl)n1 746143847 MRGBTNHMGSGMMS-RUDMXATFSA-N 273.188 3.981 30 20 CHED CCCCCCCCC(=O)N[C@H](C)Cc1ccncc1 749487125 YTIPDSOGELDETE-OAHLLOKOSA-N 276.424 3.879 30 20 CHED CCCCCCCCCN(C)C(=O)c1snnc1CC 918397623 IJAVTUOSQVTABV-UHFFFAOYSA-N 297.468 3.923 30 20 CHED Cc1cc(OCc2cc(C3CC3)no2)c(C)c(C)c1C#N 596282006 YBLTYRJBPSPFFM-UHFFFAOYSA-N 282.343 3.928 30 20 CHED C[C@H](NC(=O)N1CCCCCCC1)c1cccc(C#N)c1 743709036 QQKMJICWKMOEAR-AWEZNQCLSA-N 285.391 3.595 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2ccccc2)C1 595831034 KUKYVIHLDSMUHZ-DNVCBOLYSA-N 292.382 3.773 30 20 CHED CCCCC[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1 748310751 KVLJRTFGJVOOJL-INIZCTEOSA-N 295.386 3.938 30 20 CHED CCOc1ccc(C=Nc2cc(C#N)ccc2C)c(O)c1 746340188 ASBUOTSBFQNGRE-UHFFFAOYSA-N 280.327 3.722 30 20 CHED CC(=NNc1cccc(F)c1)c1cc(F)ccc1O 920383652 IHBRRNJXZDTBHE-UHFFFAOYSA-N 262.259 3.507 30 20 CHED C=C(CNC(=O)C1(C(F)F)CCCC1)c1ccccc1 685215338 OEWGOCQJMVUKLR-UHFFFAOYSA-N 279.330 3.642 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(C(C)C)cc2)cn1 920991515 LLVFWQDSHBGVKD-YFHOEESVSA-N 268.360 3.923 30 20 CHED C=CCCCOC(=O)c1ncc(C(F)(F)F)cc1Cl 924267289 JOWXBOWXHFFCJO-UHFFFAOYSA-N 293.672 3.877 30 20 CHED FC(F)(F)c1cccnc1NN=C/C=C\c1ccco1 920374331 ZHJVLMBPIKXIQI-SNCLIDCGSA-N 281.237 3.805 30 20 CHED C=C(C)COc1cc(CNCCC2CCC2)ccc1OC 756135769 LBHNYTUECSBLOG-UHFFFAOYSA-N 289.419 3.930 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C\c2ccccc2)C1 855441110 VDBVUCOQVKKVCL-JNSOCZORSA-N 255.361 3.515 30 20 CHED C=CCC1(NC[C@H](O)c2ccc(F)cc2F)CCCCC1 859744274 BLQLWEMRECJXRQ-INIZCTEOSA-N 295.373 3.867 30 20 CHED CC(C)c1ccoc1C(=O)O[C@@H](C)CC(C)(C)C#N 851204132 KGWCLRCCESBEMT-NSHDSACASA-N 263.337 3.888 30 20 CHED C=C(C)CN(CC)C(=S)NC12CC3CC(CC(C3)C1)C2 750972134 BKZPZGPEMSKYKL-UHFFFAOYSA-N 292.492 3.728 30 20 CHED O=[N+]([O-])c1cccc(NN=C[C@H]2C[C@@H]2c2ccccc2)c1 755481707 OOWMPTNPDSYFNY-CZUORRHYSA-N 281.315 3.796 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2cccc(OC)c2o1 683788282 LIKDYMPWIBZEBZ-ZDUSSCGKSA-N 285.343 3.622 30 20 CHED CCc1ccc(C(C)=Nn2cc(Br)cn2)s1 752745366 AWJXDLUZZWMQER-UHFFFAOYSA-N 298.209 3.542 30 20 CHED N#CC1(CC(=O)OCC2CCSCC2)CCCCC1 850871491 AMFXFQFOFWOCRT-UHFFFAOYSA-N 281.421 3.537 30 20 CHED C=CCC1(NC[C@@H](O)c2cccc(F)c2)CCCCC1 859746359 UMDTWALURTVAPN-MRXNPFEDSA-N 277.383 3.728 30 20 CHED C=CCCONC(=O)C1(c2cccs2)CCCCC1 856032526 QKLZNLULFXAXNO-UHFFFAOYSA-N 279.405 3.574 30 20 CHED C/C(=C\C(=O)N(C1CC1)[C@H](C)C#N)c1cccc(Cl)c1 855582827 PAVNZMGCWTWTEH-JATZPVMKSA-N 288.778 3.646 30 20 CHED CC[C@@H](O)c1ccc(OCCc2ccc(C#N)cc2)cc1 853667976 RXYZBSDHKSSPIR-GOSISDBHSA-N 281.355 3.623 30 20 CHED CCOc1cncc(/C=C\C(=O)C2CCCCC2)c1 857201960 ISOSKXAXBJOWNK-HJWRWDBZSA-N 259.349 3.643 30 20 CHED C#CCCCN[C@H](C)Cc1c(Cl)cccc1Cl 753967598 FXEMJUFDXINXFJ-LLVKDONJSA-N 270.203 3.927 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@H]1NCc1cc(C#N)ccc1F 850445994 ZBTHAQPWSWJFQV-IJEWVQPXSA-N 272.367 3.612 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccccc2O)cc1[N+](=O)[O-] 757476127 VWFKZPITZBGXFF-CMDGGOBGSA-N 283.283 3.505 30 20 CHED CCc1nc(C)c([C@@H](C)OC(=O)C(C#N)(CC)CC)s1 860560424 IHWVPKSORXGEGT-LLVKDONJSA-N 294.420 3.948 30 20 CHED CC#CCCOC(=O)c1csc(-c2ccc(F)cc2)n1 760285310 XPHRKHCHUGIHOK-UHFFFAOYSA-N 289.331 3.519 30 20 CHED CC[C@@H](C)n1nc(C(=O)Oc2ccc(C#N)c(C)c2)cc1C 765117953 KYIXURUGXVFPFF-GFCCVEGCSA-N 297.358 3.562 30 20 CHED CC(C)C(=NNc1ccc(C(=O)O)cn1)C1CCCCC1 763371500 CLEFBCHZMLERCF-UHFFFAOYSA-N 289.379 3.784 30 20 CHED Cc1cccc(NN=C2CCCCc3cc(C#N)ccc32)n1 863159855 GXNPZWMLBGQGAE-UHFFFAOYSA-N 290.370 3.804 30 20 CHED O=C1/C(=C\c2cccnc2)[C@H]2CCCc3cccc1c32 763290925 SRLNLMWGXGWINX-KWZJRMENSA-N 261.324 3.781 30 20 CHED Cc1nc(C)c(C#N)c(SCCC(F)=C(F)F)n1 863280225 CMNPHFBDSYYKII-UHFFFAOYSA-N 273.283 3.525 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)CSc1ccc(C)cc1 769761115 UFWJYBPMMHRCDE-ZDUSSCGKSA-N 294.489 3.516 30 20 CHED Cc1ccc([C@@H](C)C=NNc2cc(C)nc(C)n2)cc1 863080357 YKTCQSSEWFUARS-LBPRGKRZSA-N 268.364 3.603 30 20 CHED CCC(C#N)(CC)C(=O)OCCc1ccnc2ccccc12 860874579 BUYBEZGAJCPCKG-UHFFFAOYSA-N 296.370 3.650 30 20 CHED C[C@H]1CCC(=NNc2cccc([N+](=O)[O-])c2)C[C@H]1C 767363300 YZYHPHJSWMQSFH-WDEREUQCSA-N 261.325 3.819 30 20 CHED C=CCCONC(=O)c1cc(C(F)(F)F)ccc1Cl 862217820 UHZWTAGODPXGCI-UHFFFAOYSA-N 293.672 3.596 30 20 CHED Fc1cc(F)c(NN=CCCC2CCOCC2)cc1F 764908790 DQSMRKQXLNFSES-UHFFFAOYSA-N 286.297 3.708 30 20 CHED COc1cccc(NN=C2C[C@@H](OC(C)C)C2(C)C)c1 764905734 POFBUNGVKJWEHU-OAHLLOKOSA-N 276.380 3.687 30 20 CHED CCc1ccccc1CCOC(=O)c1ccc(C#N)s1 768745563 IZRXKSMCAVUTJR-UHFFFAOYSA-N 285.368 3.582 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccc(OC(C)(C)C)cc1 764911917 NZXMXLSLYYIHHN-UHFFFAOYSA-N 298.390 3.798 30 20 CHED C#CCN(C(=O)NC1CCC(c2ccccc2)CC1)C1CC1 764679086 XWETYVURGFXVDS-UHFFFAOYSA-N 296.414 3.520 30 20 CHED C[C@@H](CCC#N)CNc1ccc(N2CCSCC2)cc1 876864338 QPJCGWKQQYXSRG-AWEZNQCLSA-N 289.448 3.592 30 20 CHED C#C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 773598829 OPGAUKHUPBMTCM-RHSMWYFYSA-N 298.430 3.852 30 20 CHED N#Cc1cccc(C(=O)OCCSc2ccccc2)c1 779132003 WWUFUTTYOSUYRL-UHFFFAOYSA-N 283.352 3.507 30 20 CHED CC(=NNCC(C)C)c1ccc(F)cc1Br 771566200 FVQXDRWFOVVMKW-UHFFFAOYSA-N 287.176 3.558 30 20 CHED C=C(CC)COC(=O)CCc1ccc(Cl)s1 773497404 PBLCHJNNBKIKIG-UHFFFAOYSA-N 258.770 3.844 30 20 CHED C#CCOc1ccccc1CN[C@H]1c2ccccc2C[C@@H]1C 772987303 IFQJRLIRLATKFT-MGPUTAFESA-N 291.394 3.722 30 20 CHED C=CCC[C@@H](NCC1CCN(C)CC1)c1ccccc1 772856232 LWRGWDIVQPDZBL-GOSISDBHSA-N 272.436 3.625 30 20 CHED C/C(=C/C(=O)OCc1ccc(CC#N)cc1)C(C)(C)C 776112186 DSCXFBNYAUTCOZ-QBFSEMIESA-N 271.360 3.788 30 20 CHED C/C=C(/C=C\C(=O)OCc1cccc(C#N)c1F)CC 774974459 RPNPILVUNUPMEK-MIFLFFNBSA-N 273.307 3.653 30 20 CHED C=CCCC[C@H](C)NC(=S)N[C@H](C)c1ccccc1 776203662 RJOIYVMZANQYMI-UONOGXRCSA-N 276.449 3.957 30 20 CHED CCOc1cccc(/C=N/CCc2sccc2C)c1O 773150899 OTULXEXFPJVGNC-GZTJUZNOSA-N 289.400 3.822 30 20 CHED N#Cc1cccc(CSCc2cccc(C(=O)O)c2)c1 58241062 DUWCYEYMCGKIKS-UHFFFAOYSA-N 283.352 3.690 30 20 CHED CCOCCON=Cc1ccc(SC(F)(F)F)cc1 774415874 XDSMORVVUUIJNK-UHFFFAOYSA-N 293.310 3.686 30 20 CHED C=C(Br)CN1Cc2ccccc2[C@H](C)C1 771463028 NLDYZTJXFQQHFE-SNVBAGLBSA-N 266.182 3.514 30 20 CHED Cc1ccc2oc(C(=O)OCCC(C)(C)C#N)cc2c1 776380337 HWUINWLGUPCPDN-UHFFFAOYSA-N 271.316 3.838 30 20 CHED C=C(CC)COC(=O)CCCc1ccc(OC)cc1OC 773540446 JUBUPGGMWCFCOR-UHFFFAOYSA-N 292.375 3.536 30 20 CHED C#C[C@H](C)NC(=O)/C(C)=C\c1c(Cl)cccc1Cl 775385679 JXYBIKXMZPCINO-QROTZFDESA-N 282.170 3.535 30 20 CHED Cc1nc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)sc1C 774124521 UGVAUZUNJCXGEM-JTQLQIEISA-N 286.356 3.550 30 20 CHED COC(=O)c1cccc(NN=C(C)c2ccccc2C)c1 779827375 KHPXPDCDXLIZCC-UHFFFAOYSA-N 282.343 3.618 30 20 CHED Cc1c(C(=O)OCCC(C)(C)C#N)cnc2ccccc12 776393950 OFWGEVLJHNESLG-UHFFFAOYSA-N 282.343 3.640 30 20 CHED CCc1ccc(CCC(=O)OCCC(C)(C)C#N)cc1 776363286 TXGDGWBREAYGDN-UHFFFAOYSA-N 273.376 3.665 30 20 CHED C#CCCCCCC(=O)N1CCCCc2cc(OC)ccc21 780017149 WUQOEYUZVHEWEL-UHFFFAOYSA-N 299.414 3.948 30 20 CHED C#CCCCCCC(=O)N1CC=C(C(C)(C)C)CC1 780679432 XDAZXIOVXSPENW-UHFFFAOYSA-N 261.409 3.775 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 888280048 YXBOSCRUVLDUMP-UHFFFAOYSA-N 297.742 3.596 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 1120608040 KNURXSPKNBWFCA-ZDUSSCGKSA-N 284.359 3.875 30 20 CHED Cc1ccccc1C1CC(=NN[C@@H](CO)c2ccccc2)C1 788462104 UOGMRXYKTANVQF-CVMIBEPCSA-N 294.398 3.552 30 20 CHED CC1(C)CCC(=NNC(=S)Nc2ccccc2F)C1 783792941 MJZNKQFAEIPKLC-UHFFFAOYSA-N 279.384 3.678 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N2CCC[C@](C)(C#N)C2)cc1C 784746610 MDBQNZGMELWWEE-OVKVCFKUSA-N 296.414 3.777 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCCCCCC1 1122455694 ADPHDEISRCQBQP-UHFFFAOYSA-N 284.354 3.562 30 20 CHED CC(=NNc1cccc2ccccc12)[C@H]1CCCO1 783835195 HDACBISXKYIRTE-MRXNPFEDSA-N 254.333 3.807 30 20 CHED CCOc1ccccc1N(C)C(=O)c1cc(C#N)ccc1C 1127267804 MOSPZDWXNDSWKD-UHFFFAOYSA-N 294.354 3.542 30 20 CHED CC(C)(C)CCCON=C1CCC2(CC1)OCCO2 780124154 BQJNVJDBVZSODN-UHFFFAOYSA-N 269.385 3.502 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)c(C)c1 782201110 PNIHJZLAJZGNPK-XQRVVYSFSA-N 286.352 3.959 30 20 CHED Clc1cccc2c1SCCC2=NOC[C@@H]1CCOC1 788034667 UCOASENYXBOJKN-SNVBAGLBSA-N 297.807 3.593 30 20 CHED CC(C)[C@@H](F)C(=O)Nc1ccccc1SC[C@@H](C)C#N 784096976 COXBNTWURVHJCB-SMDDNHRTSA-N 294.395 3.871 30 20 CHED C#CCSc1ccc(COC(=O)C2(C#N)CCCC2)cc1 788411494 IWXJLFGMCKJVCP-UHFFFAOYSA-N 299.395 3.539 30 20 CHED C=CCOc1ccccc1C(=O)OCCCC(C)(C)C#N 782676884 NQBYEUAFMFZCMM-UHFFFAOYSA-N 287.359 3.738 30 20 CHED C#CCC1(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)CCCCC1 788223059 HPGWSTLJBUCQDA-ZWKOTPCHSA-N 295.426 3.708 30 20 CHED C=CC(C)(C)CC(=O)Nc1ncsc1C(C)C 890981449 UJOIHIALDQQKRS-UHFFFAOYSA-N 252.383 3.807 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@@H](C)C2CCCCC2)CC1 899590922 JQMIBAUNAAAQQA-OAHLLOKOSA-N 293.451 3.523 30 20 CHED CCc1ccc2nccc(N3CCC[C@H](C#N)C3)c2c1 895647420 BFCWJSGXGIBIOB-CQSZACIVSA-N 265.360 3.537 30 20 CHED CCC(=NN(C)CCOC)c1cccc2ccccc12 794971896 VKWHSLRMUMEUAM-UHFFFAOYSA-N 270.376 3.532 30 20 CHED C=C(Cl)CN[C@@H](C)Cc1cccc(C(F)(F)F)c1 798930094 JKGVWDHUHDLOPG-JTQLQIEISA-N 277.717 3.979 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C)cc1OCCC 185419604 NFMLUBCFGDMUHG-UHFFFAOYSA-N 273.376 3.772 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cc(Br)ncc1F 273902241 WAPTZJSFYFJCTE-IUCAKERBSA-N 287.176 3.598 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(Br)s2)C1 397592704 COMVLXHGPBEEEC-JTQLQIEISA-N 299.237 3.636 30 20 CHED N#CCN(C(=O)/C(F)=C/C1CCCCC1)C1CCCC1 798295177 XNVNXCWBAPRPBE-QINSGFPZSA-N 278.371 3.715 30 20 CHED Cc1[nH]c2ccccc2c1C=NN[C@H](C)C(C)(C)C 793114052 JBKYMUDLERAIDC-GFCCVEGCSA-N 257.381 3.834 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCN(C)[C@H](C)C1 793531136 CZXAMLKALYNPBA-XHSDSOJGSA-N 252.446 3.584 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccc(Br)o1 188739697 PDZOAKHLWHZGFZ-NXEZZACHSA-N 272.186 3.732 30 20 CHED CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1ccc(OCC#N)cc1 797582337 NWHKPCWNPFPDMQ-LESCRADOSA-N 286.419 3.893 30 20 CHED O=C(/C=C\c1ccccc1)c1ccnn1-c1ccccc1 798371167 JADODQPZJYXKNY-QXMHVHEDSA-N 274.323 3.768 30 20 CHED C#CCOc1ccc2ccccc2c1C=NOCCSC 794577278 SWDWTGHOWQNOHH-UHFFFAOYSA-N 299.395 3.565 30 20 CHED C#CCCCN[C@@H](C)Cc1ccccc1C(F)(F)F 795794428 DEAQCZNAQFALST-LBPRGKRZSA-N 269.310 3.639 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@H]1C 797405395 UTTCCAJGVFZCIF-SECBINFHSA-N 266.776 3.841 30 20 CHED COc1ccc2nc(C=NN[C@H](C)C(C)(C)C)sc2c1 793110785 BXZQZKHICASMBL-SNVBAGLBSA-N 291.420 3.663 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(C(=O)N(C)C)cc1 792925119 ISFVHHIYMGZEIB-HJWRWDBZSA-N 299.395 3.654 30 20 CHED Cc1ccc(C(=O)N2c3ccccc3CC[C@H]2C)cc1C#N 799298050 TXQUYMXARIMGLV-CQSZACIVSA-N 290.366 3.848 30 20 CHED CC[C@@](C)(C#N)NC(=O)C1CC(C)(C)CC(C)(C)C1 597035633 HZDWVEMNWLSFCU-INIZCTEOSA-N 264.413 3.647 30 20 CHED C#C[C@@H](NC(=O)N(C)Cc1ccc2ccccc2c1)C(C)C 798555937 WQNIATYBQGDBGB-GOSISDBHSA-N 294.398 3.639 30 20 CHED CC[C@@H](C)CON=Cc1nc2ccc(F)cc2s1 793159294 MNSBGAOOMRGOHA-SECBINFHSA-N 266.341 3.832 30 20 CHED COc1cc2c(cc1OC)C(=NNc1cccc(C)c1)CC2 794452092 PRSIGYNPZQUPGV-UHFFFAOYSA-N 296.370 3.775 30 20 CHED CCCC[C@@H](C)C(=O)O[C@H](C)c1ccc(C#N)cc1 799960417 UOCOOYCYZXHKST-CHWSQXEVSA-N 259.349 3.989 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1cc(Cl)ccn1 695724445 LEGDWTAHMKIAHF-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc(F)cc2Cl)c1 767921297 XKWRMDRMJAIWBL-UHFFFAOYSA-N 292.716 3.780 30 20 CHED Cc1cc(=NCc2ccc(C)c3ccccc23)c(C#N)c[nH]1 1163507988 WEWHRCOWEDVKJB-UHFFFAOYSA-N 287.366 3.757 30 20 CHED CC(C)CN(CC(C)C)c1nc(C#N)c(Cl)s1 1162881972 XVXKEQXQPMTIRM-UHFFFAOYSA-N 271.817 3.787 30 20 CHED COc1cc(C)nc(CSc2cccc(F)c2C#N)c1 1166246945 PKSAVUJDEVRLBP-UHFFFAOYSA-N 288.347 3.702 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc(Cl)c(F)c1)C1CC1 1323388242 QUXAEOAASNLIGZ-SNVBAGLBSA-N 296.773 3.900 30 20 CHED CC(C)(C#N)c1ccccc1CN1CC2CCC1CC2 1324821019 AJDJVKQQQNGCEY-UHFFFAOYSA-N 268.404 3.862 30 20 CHED CC(C)(C#N)CC(=O)OCc1ccccc1C1CC1 1329977202 JARPNFPUWSOPQO-UHFFFAOYSA-N 257.333 3.547 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)s1)C1CCCC1 1326886453 QQSYXNNGGAQJGM-UHFFFAOYSA-N 277.389 3.879 30 20 CHED CCCCCCCc1nnc(Cn2cnc3ccccc32)o1 1322759648 QEIRVENBOFGLPM-UHFFFAOYSA-N 298.390 3.981 30 20 CHED N#Cc1cccc(OCc2cccc3ncccc23)c1 1188521700 DEBYCSGKQZFRTM-UHFFFAOYSA-N 260.296 3.685 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nnc([C@@H](CC)c2ccccc2)o1 1327363492 IRYHNGGZRBPIDU-ZNMIVQPWSA-N 284.359 3.670 30 20 CHED Cc1cc([C@H](C)NCc2cccc(OCC#N)c2)cs1 1328092088 URTMHXJXRHQYTD-ZDUSSCGKSA-N 286.400 3.810 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CC[C@@H](Cc3ccccc3)C2)C1 1182498454 IQUBLRWFILIFIZ-XLAORIBOSA-N 268.404 3.680 30 20 CHED N#CC1(CCCCN(Cc2ccccn2)C2CC2)CCC1 1333157812 JQDYVHSTJYFSQU-UHFFFAOYSA-N 283.419 3.910 30 20 CHED Clc1ccnc(NN=Cc2nc(-c3ccccc3)c[nH]2)c1 1337342430 BCJTWFJDCBUSBL-UHFFFAOYSA-N 297.749 3.571 30 20 CHED C=CC(C)(C)C(=O)O[C@@H]1CCSc2ccccc21 1261300543 YWGBQJJFJBRELY-GFCCVEGCSA-N 262.374 3.979 30 20 CHED CC1(C#N)CCC(NCCOc2ccc3c(c2)CCC3)CC1 1344060972 IRPWQMYXPNNFTE-UHFFFAOYSA-N 298.430 3.616 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)c1cc(C#N)ccc1F 1348428871 APZFAWLGQPGWTM-LBPRGKRZSA-N 294.329 3.679 30 20 CHED CCCCCCCNc1ccc(-n2cncn2)cc1 103027376 KNRLSWOEXJLIDA-UHFFFAOYSA-N 258.369 3.650 30 20 CHED N#Cc1cccc(NC(=O)c2ccccc2-c2ccncc2)c1 1354254007 WBCAICXSSAPPKE-UHFFFAOYSA-N 299.333 3.873 30 20 CHED N#Cc1sc(N2CCCC3(CCCC3)C2)nc1Cl 804640213 CDICBSLOABKFAZ-UHFFFAOYSA-N 281.812 3.829 30 20 CHED C=C(Cl)COC(=O)c1occc1-c1ccccc1 805185329 FNGOTPSBEOHCKQ-UHFFFAOYSA-N 262.692 3.856 30 20 CHED N#CC1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 216480517 GJFGSVVRHMWKRG-UHFFFAOYSA-N 272.436 3.828 30 20 CHED CC[C@H](C)OCC(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1519365409 LIEYVMDNRJEBQZ-HUBLWGQQSA-N 295.404 3.697 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1F 218718006 KYVAVBXZJVLZNI-UHFFFAOYSA-N 288.753 3.983 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1cc(C#N)ccc1C 1524754145 UEEYYLYMLCGOFW-OAHLLOKOSA-N 272.392 3.955 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N(C)[C@@H](C)C#N 1527365954 UAJOGOSRGDTWIG-CQDIZWNASA-N 290.451 3.990 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C2CCCCC2)C2CCC2)n1 1472814775 UBYPVYFQLYNWTL-KRWDZBQOSA-N 284.407 3.818 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccncc1C#N 1472883888 KJQDMZGUFPEBLM-PBHICJAKSA-N 277.371 3.726 30 20 CHED CCCCCCCCCC(=O)N1CCC(CCN)CC1 115859446 CCDZSSRGEBULTO-UHFFFAOYSA-N 282.472 3.715 30 20 CHED CCC[C@@H](C)Nc1ccc(C#N)c(Br)c1 228173500 SOQIMFLATQTOAO-SECBINFHSA-N 267.170 3.921 30 20 CHED N#Cc1cccc(CNC2(c3ccccc3Cl)CC2)c1 1559937106 UWPICOPMCFWARU-UHFFFAOYSA-N 282.774 3.991 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 1633496509 DIUXMWHNOJZNPH-IJLUTSLNSA-N 290.329 3.554 30 20 CHED Cc1cc(C)c(/C=C\CN2CC[C@](F)(C#N)C2)cc1C 1560757724 SUMILRLKBQSQHF-CHYADLBTSA-N 272.367 3.563 30 20 CHED COc1cc(OCc2c(F)cccc2Cl)ccc1C#N 1641093885 VDKRISBIHJODSY-UHFFFAOYSA-N 291.709 3.938 30 20 CHED Cc1ccc(CN(C)C(=O)c2cc(C#N)ccc2C)cc1C 1585019725 LDLNGWLEDVRIDM-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CC1(C)CCC[C@@H]1CNCc1cccc(F)c1C#N 1652522162 FEYBGSSZVAYIOT-CYBMUJFWSA-N 260.356 3.613 30 20 CHED CC(C)(C#N)CCSCc1csc(C(=O)O)c1 1589554645 IWFNHHIQPQZRFR-UHFFFAOYSA-N 269.391 3.619 30 20 CHED N#Cc1ccc(CNC(=O)Nc2ccc3occc3c2)cc1 1674229604 CACBEZUEDPLHBC-UHFFFAOYSA-N 291.310 3.626 30 20 CHED C=C(CNC(=O)N1CCC[C@@H](CC)CC1)c1ccccc1 1682940831 KDDGWCMIMMVDLV-MRXNPFEDSA-N 286.419 3.922 30 20 CHED Cc1c(NN=CC2[C@@H]3CCCC[C@@H]23)cccc1C(=O)O 1776089237 ITPFJNWZZBSDCC-CHWSQXEVSA-N 272.348 3.527 30 20 CHED C=CCN(CCC(=O)O)Cc1ccc(SC)c(Cl)c1 1776178690 KNIJBSKFKQXWAU-UHFFFAOYSA-N 299.823 3.525 30 20 CHED C=CCCCCCN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 150899003 MJGQTEGDMLBCNY-AWEZNQCLSA-N 299.418 3.662 30 20 CHED C=CCN(C)C(=O)c1ccc(-c2ccccc2Cl)o1 161742327 CNYUHUVYGLIQMU-UHFFFAOYSA-N 275.735 3.858 30 20 CHED C=CCN(C)C(=O)C1(c2cccc(Cl)c2)CCCC1 161838651 BFDMJISZEFEJLL-UHFFFAOYSA-N 277.795 3.796 30 20 CHED CN(CCC#N)C(=O)CC1CCC(C(C)(C)C)CC1 162976050 HHEGPMSWGGFNQJ-UHFFFAOYSA-N 264.413 3.601 30 20 CHED O=C(O)c1cccc(/C=C2/CCc3ccccc3C2=O)c1 158288582 HAPWTSADMFLFNN-UVTDQMKNSA-N 278.307 3.597 30 20 CHED CCCCCCCCC(=O)NCC1(C(=O)O)CCCCC1 165633046 WXZVCSMKQGOTMJ-UHFFFAOYSA-N 297.439 3.888 30 20 CHED N#Cc1cccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c1 205990050 NUQCEECMWGLZKT-VGOFMYFVSA-N 280.714 3.704 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2sccc2C)CC1 152988249 XGEONAGXVMGHNT-CQSZACIVSA-N 278.465 3.748 30 20 CHED CCCOc1ccc(NC(=O)N[C@@H](C)CC#N)cc1Cl 157303644 MRILSLHQFLMJLU-JTQLQIEISA-N 295.770 3.552 30 20 CHED Fc1ccc(C#CCN(CCC(F)(F)F)CC2CC2)cc1 156720529 CVBRARZOJDBLMS-UHFFFAOYSA-N 299.311 3.842 30 20 CHED N#Cc1ccc(OC/C=C\c2ccccc2)c(F)c1 209622708 MYHSLGQTUXUOSM-DAXSKMNVSA-N 253.276 3.790 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1C[C@H]2CCC[C@@H]2C1 125186448 CXSPOIPEOGYHOV-GHMZBOCLSA-N 280.293 3.813 30 20 CHED CC(C)Cc1ccccc1C(=O)NCC(C)(C)CC#N 837890512 FEKUFLCRGPWABB-UHFFFAOYSA-N 272.392 3.555 30 20 CHED CCc1ccc(CN2CCc3ccc(C#N)cc32)cc1 1193011184 GVOCPLKLCNWGCM-UHFFFAOYSA-N 262.356 3.683 30 20 CHED N#Cc1ccc(CNc2ccc(OC(F)F)cc2)cc1 20096138 RHQLGNORCGIEMR-UHFFFAOYSA-N 274.270 3.772 30 20 CHED Cc1ccc(CNc2ccc(OCC#N)cc2)c(C)c1 20126374 YBOSKKQDGPYQFY-UHFFFAOYSA-N 266.344 3.818 30 20 CHED CCCCCCCCNC[C@@H](O)c1ccc(C#N)cc1 159289690 SFDHDNBFXIKMBK-QGZVFWFLSA-N 274.408 3.542 30 20 CHED CC1(C)CCCN(C(=O)c2csc(Cl)c2)[C@@H]1C#N 278057258 WCLNEJABUUJHNM-SNVBAGLBSA-N 282.796 3.556 30 20 CHED C=CCCN[C@H]1CCc2sc(Br)cc21 308704242 WEMRRURNJMDEJP-VIFPVBQESA-N 272.211 3.664 30 20 CHED CSC[C@@H]1CCCN(c2cccc(Cl)c2C#N)C1 311066396 JNGOSRLOPXEBGQ-LLVKDONJSA-N 280.824 3.791 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(F)cc2Cl)c1 313469102 WCODBGCTYJQWQV-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1cccnc1SCCCOc1cccc(C#N)c1 520631198 SPLNQWHJPAPAHB-UHFFFAOYSA-N 284.384 3.823 30 20 CHED C=CCOc1ccc(CN[C@@H](C(C)C)C2CC2)cc1 324536272 NISIJRJIKWGTCU-KRWDZBQOSA-N 259.393 3.776 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 92326832 HBHOMVPCKMVVSW-QWRGUYRKSA-N 269.348 3.575 30 20 CHED C=CC[C@H](CC)NCc1cc(Cl)c(OC)c(OC)c1 393812791 YXXDSLAHZSCTSC-LBPRGKRZSA-N 283.799 3.802 30 20 CHED C=CCCOC(=O)c1cc(Cl)ccc1Br 729072804 XBFIBXSXDWBRCM-UHFFFAOYSA-N 289.556 3.835 30 20 CHED CC(=NOCc1ccccc1)c1ccc(F)cc1F 839419619 JBJNMIRTZNGADV-UHFFFAOYSA-N 261.271 3.906 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1C[C@H]1CC(C)C 410722458 BDDKZSXZIAIBBL-ZIAGYGMSSA-N 264.413 3.599 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1 103250122 HLCFQTCYPSHWBW-UTSBKAFOSA-N 293.322 3.579 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(F)cc1 104542597 FESJOHYFXMLSMD-UHFFFAOYSA-N 276.355 3.618 30 20 CHED C=CC[C@H](C)NC(=O)N(C)Cc1cccc2ccccc12 116973095 VHHWMOZEVIAPSR-AWEZNQCLSA-N 282.387 3.946 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCC2CC2)cc1 115376775 GSGFJEWGFBFISO-INIZCTEOSA-N 284.403 3.855 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)CCc1cccs1 175744933 DRLNSCSOKPHDQC-UHFFFAOYSA-N 299.399 3.635 30 20 CHED C=CCSCCNC(=O)[C@H](CC)Sc1ccccc1 110669957 DJIBJXYVVPFFDZ-AWEZNQCLSA-N 295.473 3.593 30 20 CHED C=CCNC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 103504857 VNCAKDZBXLWMGW-LBPRGKRZSA-N 278.421 3.733 30 20 CHED C#CCCCCC(=O)N[C@@H](CC)c1ccc(F)cc1F 119880350 VVFXEUPSPLCDGK-HNNXBMFYSA-N 279.330 3.726 30 20 CHED Cc1ccc(-c2noc(-c3cc(C#N)cs3)n2)cc1 176661208 SERBWGCXJGUHSR-UHFFFAOYSA-N 267.313 3.645 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc2[nH]cnc2c1 69973735 SZVNSYNLORMXHP-UHFFFAOYSA-N 297.402 3.771 30 20 CHED C[C@@H](CC#N)NC(=O)C1(c2cccc(Cl)c2)CCCC1 64318154 SHYNYMOJHMIZQF-LBPRGKRZSA-N 290.794 3.570 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C#N)s1 119179309 PQVZZAXXWXLFIM-UHFFFAOYSA-N 275.421 3.772 30 20 CHED C#CCOc1ccc(CNCc2ccc(SC)cc2)cc1 172115634 KEZKTFYPDGGJMK-UHFFFAOYSA-N 297.423 3.710 30 20 CHED CCCCc1ccc(CC(=O)N(CC)C[C@H](C)C#N)cc1 60020098 CXNZMODZCJVPGQ-OAHLLOKOSA-N 286.419 3.580 30 20 CHED C[C@H](/N=C/c1ccc(O)c(O)c1O)c1ccccc1Cl 22768919 KKXNTZXJOHCHBO-PCYPHTAMSA-N 291.734 3.637 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@@H](C(C)(C)C)C1 508845457 BRXPLOKJAFOPGO-CQSZACIVSA-N 290.455 3.850 30 20 CHED CC(C)CC[C@H]1CCCCN1c1ccc(C#N)nc1 301753644 CBJYVBSWNADLQG-OAHLLOKOSA-N 257.381 3.748 30 20 CHED CC(C)CC[C@@H](C)NC(=O)c1cccc(SCC#N)c1 175504151 QPRIJFYKTKWTST-CYBMUJFWSA-N 290.432 3.857 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 33410902 AHBXSQONQVUHJD-XFXZXTDPSA-N 297.310 3.890 30 20 CHED C[C@@H](C1CC1)n1cc(Nc2cccc(F)c2C#N)cn1 302404721 KPAMPJOGNUWJPS-JTQLQIEISA-N 270.311 3.608 30 20 CHED Cc1cnc([C@H](C)CN[C@H](C)c2ccc(C#N)cc2)s1 186771247 HKOWQRBABZEBSY-DGCLKSJQSA-N 285.416 3.778 30 20 CHED C=CCCCSCc1nnc(-c2ccccc2)o1 173828653 QZBUCWPBKSFNMM-UHFFFAOYSA-N 260.362 3.936 30 20 CHED C=CCCCSCC(=O)Nc1ccc(F)cc1F 117944691 RMEWPWCYFNMYNZ-UHFFFAOYSA-N 271.332 3.603 30 20 CHED CN(Cc1ccc(C#N)s1)[C@@H]1CCc2ccccc21 179907995 AHMVWUVIJQVICB-MRXNPFEDSA-N 268.385 3.739 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 411053310 DBFGVWRTCSHAGY-ZIAGYGMSSA-N 284.359 3.526 30 20 CHED C[C@H](C[C@H](O)c1ccco1)Nc1ccc(Cl)cc1C#N 301882668 ITPJHIQYLUQHPD-YGRLFVJLSA-N 290.750 3.729 30 20 CHED CCOc1ccc2c(c1)CN(c1ccc(C#N)cc1)CC2 301125883 YUJZYYTUJCDZFZ-UHFFFAOYSA-N 278.355 3.520 30 20 CHED C=CC1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 171952797 JZOFDAFVLLMOBD-HNNXBMFYSA-N 299.336 3.637 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 119328201 IDFXMHYJXUFRCE-RYUDHWBXSA-N 273.355 3.545 30 20 CHED CC1(C)CC[C@H](CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)O1 409447213 XJKZELJCBUBXDQ-FGTMMUONSA-N 298.430 3.716 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)C1CCC(F)(F)CC1 504080127 WZSJPAGYKMUODK-NSHDSACASA-N 274.355 3.560 30 20 CHED CCCCCCCCCn1cnc2cnccc2c1=O 126517768 VKAGEBFGJSYRLN-UHFFFAOYSA-N 273.380 3.542 30 20 CHED C=CCC[C@H](C)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 230661211 LUUKIVWACPRFFX-GJZGRUSLSA-N 296.455 3.578 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1ccnn1C 124482703 VQLNOMRYTRBXCI-UHFFFAOYSA-N 280.416 3.634 30 20 CHED C[C@H](C#N)N[C@H](Cc1ccccc1)c1ccccc1F 122728204 ZJXCWHIDCQFYET-CXAGYDPISA-N 268.335 3.611 30 20 CHED C=CCCO[C@@H](C)C(=O)N(Cc1ccco1)c1ccccc1 69331653 UBXRGVTVYUPPLH-HNNXBMFYSA-N 299.370 3.794 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1cccc(C)c1)c1ccccc1 303001140 YGWZVOSVVOJMFK-INIZCTEOSA-N 295.382 3.982 30 20 CHED C=C(C)CN(C)Cc1c(O)ccc2ccc(OC)cc12 182631835 JDGIJWCNZJKVKE-UHFFFAOYSA-N 271.360 3.562 30 20 CHED C=C(C)COCCN[C@H](C)c1cccc(Br)c1 128534424 DJJWMMBXMVZWDZ-GFCCVEGCSA-N 298.224 3.692 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H]2CCC[C@H]2C1)c1ccccc1 126247351 KHIHMGVOJRYJDZ-BHYGNILZSA-N 269.388 3.605 30 20 CHED CCOc1ccc(OC)cc1N[C@H]1CCC[C@H](C#N)C1 185746428 SKAWGIODELKMRJ-STQMWFEESA-N 274.364 3.588 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(O)c(F)c2)c1 120775218 HSEZNZIYJHPLRN-FNORWQNLSA-N 256.276 3.736 30 20 CHED CCCO[C@H]1CCCN(CCCCC(C)(C)C#N)CC1 364356330 SKSLAQMLGMHYPE-INIZCTEOSA-N 280.456 3.988 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1cc2ccccc2o1 410125067 YHPCOBJEHQSZMT-AWEZNQCLSA-N 271.360 3.836 30 20 CHED Cc1c(CNc2cccc(CC#N)c2)cccc1[N+](=O)[O-] 313441760 VBRMFQRARSUDPT-UHFFFAOYSA-N 281.315 3.581 30 20 CHED Cc1ccc(C(=O)COc2cc(F)cc(C#N)c2)cc1C 314854370 VUJIXRGUXBZFDF-UHFFFAOYSA-N 283.302 3.576 30 20 CHED N#Cc1ccc(OCCCOc2cc(F)ccc2F)cc1 71167774 OGRYVZKPWDEVJM-UHFFFAOYSA-N 289.281 3.684 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 419412085 QMMVCVOSJJNIFP-VIFPVBQESA-N 289.322 3.952 30 20 CHED Cc1ccc(OC(=O)CSc2ccc(C#N)cc2)cc1 75459960 UUYNALYYNRRZEX-UHFFFAOYSA-N 283.352 3.564 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1[C@H](C)C1(F)F 410346174 ULUZYUUWUPVDCM-GXFFZTMASA-N 265.303 3.645 30 20 CHED CCc1nnc(Oc2cccc(F)c2F)c(C#N)c1CC 125041492 BDAXQGQKTOSVCC-UHFFFAOYSA-N 289.285 3.544 30 20 CHED Cc1nnc([C@H](C)S[C@@H](C)c2ccc(C#N)cc2)o1 125634949 AEPOMXIXINFBCV-UWVGGRQHSA-N 273.361 3.805 30 20 CHED C[C@H]1C[C@@]1(NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 500393357 BCXUWCIVFQLGCF-SJCJKPOMSA-N 299.805 3.575 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CC=CC2)c1 77741968 BQYZEGYOWOPIMD-UHFFFAOYSA-N 291.350 3.760 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N(C)CCCSCC#N 74980892 SNFPIDOAVJWLRV-NSHDSACASA-N 284.375 3.604 30 20 CHED N#Cc1ccc(F)cc1CSc1nncc2ccccc12 130494990 YJFOZRGCFJOSPI-UHFFFAOYSA-N 295.342 3.933 30 20 CHED CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1ccc(Cl)cc1 45405369 BISCNDWGKSYYBJ-BXUZGUMPSA-N 293.798 3.592 30 20 CHED C=CCN(Cc1ccc(-c2ncco2)cc1F)C1CC1 411455548 YHWQUXHLIMBONT-UHFFFAOYSA-N 272.323 3.631 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(OC)c(C#N)c1 135119998 WTCRDNHTROGHOQ-UHFFFAOYSA-N 299.418 3.719 30 20 CHED C#CCCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 192064974 KLIDTCXOWWXDBY-UHFFFAOYSA-N 284.403 3.665 30 20 CHED COc1cccc(Cl)c1Cn1nc(C#N)c2ccccc21 506393184 BSOQHQMXFCFZGK-UHFFFAOYSA-N 297.745 3.618 30 20 CHED COc1ccc(C#N)cc1CN(C)c1cc(C)cc(C)c1 130450569 GRXNRCINQULDPA-UHFFFAOYSA-N 280.371 3.820 30 20 CHED C[C@@H](NC(=O)NCCC1=CCCCC1)c1ccc(C#N)cc1 47654063 PEFSFBXUBQRHEI-CQSZACIVSA-N 297.402 3.809 30 20 CHED CCc1ccc(-c2ccc(C(=O)N[C@@H](C#N)C(C)C)o2)cc1 80165823 APQQJPFXSZEXLW-HNNXBMFYSA-N 296.370 3.787 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(C#N)ccc1C 81065492 IZJNTSQFJZBLJB-BXUZGUMPSA-N 271.364 3.519 30 20 CHED CC(C)[C@@H]1CCC[C@H](/N=C(/O)[C@H]2CCCC(O)=N2)C1 328822202 RKURQNBVGWYXHB-FRRDWIJNSA-N 266.385 3.667 30 20 CHED CO[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 88191298 RGXOFZGMNNRZRA-KGLIPLIRSA-N 298.308 3.947 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCCc1c(C)noc1C 421192431 VYPOCPZYQQUCLG-UHFFFAOYSA-N 290.750 3.746 30 20 CHED Cc1ccc(C)c(C(=O)[C@H](C#N)c2nc(C)cs2)c1 41520059 QAGJXKNNIFWIIM-ZDUSSCGKSA-N 270.357 3.558 30 20 CHED CC(C)(C#N)CCOc1ccc(C=O)cc1Br 87592271 HTRXTOUICKCWLP-UHFFFAOYSA-N 296.164 3.580 30 20 CHED N#Cc1ccc(CNCC2(c3ccccc3)CC2)cc1F 421337407 YZJPYOBERWMPAM-UHFFFAOYSA-N 280.346 3.519 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc(C(F)(F)F)cc2)no1 334657456 WYMDRJPERZRLAG-SDBXPKJASA-N 293.248 3.557 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1ccc([N+](=O)[O-])cc1C#N 519156358 FKAKYSBMHMFGTL-QGZVFWFLSA-N 293.326 3.874 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncccc1C(C)C 337552095 CCRJKTXMAIKFLU-UHFFFAOYSA-N 258.365 3.912 30 20 CHED C=CCC[C@H](CCC)NCc1ccc2c(c1)CNC2 423402749 WQHAWRRUGTZPDQ-KRWDZBQOSA-N 258.409 3.514 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCOc3c(F)cccc32)CC1 336214437 RQEDHFXJMQRSPP-YAJUMTOWSA-N 288.366 3.711 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(F)ccc1F 336220119 LDRUEVRIMDSOHJ-LLVKDONJSA-N 266.291 3.537 30 20 CHED N#CCCN(Cc1ccccn1)C[C@@H]1C[C@@H]1c1ccccc1 93100519 HDVYRUXCRZNPGE-PKOBYXMFSA-N 291.398 3.601 30 20 CHED CC(C)CSCCCNc1ncc(C#N)cc1Cl 339357172 FUMPOTBAUKCXDH-UHFFFAOYSA-N 283.828 3.798 30 20 CHED C=CCOCc1nc(-c2cccc(SCC)c2)no1 426587191 PDOPLZXSXHFISO-UHFFFAOYSA-N 276.361 3.551 30 20 CHED Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@]1(C#N)C[C@@H]1C 336294281 PRGIFFMHLHUNBF-SCLBCKFNSA-N 291.354 3.545 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1ncc2c(c1C#N)CCC2 425241564 NUHWOACYICLADH-JTQLQIEISA-N 283.297 3.585 30 20 CHED CC(C)(C(=O)N1CCc2c(C#N)cccc21)C1CCCC1 421653824 ACPVYKDDHIATGW-UHFFFAOYSA-N 282.387 3.664 30 20 CHED COc1cc(C)ccc1NCc1cc(C#N)cs1 93687402 UJVMFGMJUHMEEP-UHFFFAOYSA-N 258.346 3.549 30 20 CHED CCC1(C)CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 334294237 SLPHNYSCGHKSNP-UHFFFAOYSA-N 285.391 3.797 30 20 CHED CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)C1CCCC1 533850606 ZZAQCJZKNCQABT-UHFFFAOYSA-N 274.339 3.852 30 20 CHED N#C[C@@]1(C(=O)NCc2cc3ccccc3o2)CC12CCCC2 514991906 OFOUDFQJPRFFRA-GOSISDBHSA-N 294.354 3.523 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCSc2ccccc21 336154213 PTWQMHNZCQWOKJ-UHFFFAOYSA-N 298.367 3.602 30 20 CHED C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc(C2CC2)cc1 516553840 MVGPJKIURMXYAA-ZDUSSCGKSA-N 297.402 3.570 30 20 CHED Cc1cccc2ncc(CNc3ccc(Cl)c(C#N)c3)n12 432415458 CMIJTYWWWJCLQS-UHFFFAOYSA-N 296.761 3.780 30 20 CHED CN(Cc1ccc(Cl)s1)C(=O)c1ccc(C#N)s1 336568812 NNCIAFYJRPVHMK-UHFFFAOYSA-N 296.804 3.607 30 20 CHED Cc1ccc(-c2ccc(CN(CC#N)C3CC3)o2)cc1 511929456 YQPFXADFSKFQBM-UHFFFAOYSA-N 266.344 3.743 30 20 CHED C[C@@H]1c2ccccc2CCN1CC(C)(C)CCC#N 93149765 OPKIPHTXVSSGII-CQSZACIVSA-N 256.393 3.936 30 20 CHED C=CCCC(=O)NCc1ccc(-c2ccccc2)o1 338677067 YJKVPIKNOKYRSZ-UHFFFAOYSA-N 255.317 3.529 30 20 CHED Cc1cc(C)c2cc(CN3CCC(C#N)CC3)[nH]c2c1 334590254 HFFBGXSTCHEIEN-UHFFFAOYSA-N 267.376 3.520 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)c1cnccc1C#N 94139165 FQTULRYQCGGGPF-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CCc1nc(C)cc(N(CCC#N)CC(CC)CC)n1 342803166 VHYRMWRQGZWCJG-UHFFFAOYSA-N 274.412 3.504 30 20 CHED COc1cccc(Oc2ccc(NC(=O)[C@H](C)C#N)cc2)c1 347082887 YJVQSSXFGSMOFC-GFCCVEGCSA-N 296.326 3.586 30 20 CHED COc1cccc(CSCc2ccc(CC#N)cc2)n1 342570200 QNYCXTJMQRZXBA-UHFFFAOYSA-N 284.384 3.590 30 20 CHED C=C(CNc1c([N+](=O)[O-])ccc2c1CCN2)c1ccccc1 340912107 LZWNBKDQXLXOAN-UHFFFAOYSA-N 295.342 3.688 30 20 CHED CSCc1ccc(NC(=O)c2cc(C#N)oc2C)cc1 435689472 AFHRTSYCDOMDCZ-UHFFFAOYSA-N 286.356 3.575 30 20 CHED CCCCOc1ccc(CNCC2(CC#N)CC2)cc1 430071157 LVBROCLRWBUVTK-UHFFFAOYSA-N 272.392 3.649 30 20 CHED C=CCNC(=O)[C@@H](C)SCC1CCC(C)(C)CC1 344487731 UUEMRGHYFNZDAL-GFCCVEGCSA-N 269.454 3.627 30 20 CHED CCc1noc(C)c1C[S@](=O)CCCCC(C)(C)C#N 436111295 YILVVXRWTBVHFB-HXUWFJFHSA-N 296.436 3.514 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)C2(C)CC2)cc1 246485282 OZEYUOBQNSJDCI-ZIAGYGMSSA-N 272.392 3.598 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCO[C@@H](c3ccccc3)C2)C1 248825739 LXSYMGSCFHCDBE-LAVFITLUSA-N 284.403 3.579 30 20 CHED N#Cc1cc2c(nc1NC[C@@H]1CCc3ccccc31)CCC2 347314495 OJSOYSQELGRGQH-HNNXBMFYSA-N 289.382 3.584 30 20 CHED C=CCN(C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C 430326913 LATPDMXIEBQLFH-RDJZCZTQSA-N 286.419 3.774 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)C1CCOCC1 346551486 UEAIJSPTHZUYQV-CQSZACIVSA-N 288.391 3.596 30 20 CHED C[C@H](CCC#N)CNc1cn(C)nc1C1CCCCC1 602669837 BDZGNFZSLMTJIV-CYBMUJFWSA-N 274.412 3.820 30 20 CHED N#C[C@@H](C(=O)/C=C\C1CCCCC1)c1nc2ccccc2[nH]1 255447438 LKQSMIIWKWPOLI-BMSUMIBZSA-N 293.370 3.876 30 20 CHED Cc1c(C#N)cccc1-c1nc([C@@H]2CCCCS2)no1 346884320 MXSHIPVCLFNYGE-ZDUSSCGKSA-N 285.372 3.875 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](c1cccnc1)C(C)C 438893213 KGRCAWOJDCSMMH-QGZVFWFLSA-N 293.370 3.640 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(OC)c2ccccc12 602391962 PSPYRGWVJPTXTB-KRWDZBQOSA-N 282.343 3.727 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)[C@H]1c1ccco1 602924205 BPRGDHMZLSCSKP-INIZCTEOSA-N 266.344 3.734 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1cccc(F)c1F 432368704 QSOVQHBJBKQGQR-LLVKDONJSA-N 296.361 3.927 30 20 CHED N#Cc1ccc(-c2cn(CCCCC(F)(F)F)nn2)cc1 603238891 ABSMJLCTWYGTSS-UHFFFAOYSA-N 294.280 3.549 30 20 CHED CC[C@H](NC(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 609252313 PNTISYMLFWDDPR-AWEZNQCLSA-N 273.380 3.699 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CC[C@H](CC)O2)n1 340789337 BUQHIZYPLZDKKN-QWRGUYRKSA-N 250.342 3.553 30 20 CHED N#CCCCN[C@H](c1cccnc1)c1cc2ccccc2o1 346838265 RJIOJVSCJWGGPS-GOSISDBHSA-N 291.354 3.811 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1ccc(Cl)nc1 255203071 MGKJNUIDAJWCKA-HYXAFXHYSA-N 279.126 3.680 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(SC)cc2)cn1 255573475 UCAWTRIASYESNL-WTKPLQERSA-N 272.373 3.521 30 20 CHED N#CCC1(CN[C@H]2CCc3cc(Cl)ccc32)CC1 349712553 XGIMGAMOVAWFHT-AWEZNQCLSA-N 260.768 3.611 30 20 CHED CCCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1C#N 601911507 JZROADACMUVHRQ-JTQLQIEISA-N 296.823 3.609 30 20 CHED C=CC[C@@H]1N(CC[C@@H]2CCCO2)CCCC1(C)C 444777657 SXTQHORTHKLPKV-GJZGRUSLSA-N 251.414 3.622 30 20 CHED COc1cc(CN(C)CC(C)(C)C#N)cc2ccccc12 449341152 SABNOSPPNFRVSO-UHFFFAOYSA-N 282.387 3.830 30 20 CHED CC1(C)CC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1 351834461 VIAJLNIGKNLCFN-HOTGVXAUSA-N 299.418 3.909 30 20 CHED CCC(C)(C)c1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1 448115829 HWTVLWIGZAIAQN-CYBMUJFWSA-N 287.407 3.998 30 20 CHED N#Cc1cccc(Cl)c1NCCc1c[nH]c2ncccc12 443891699 LEMRKTMDMKGOCB-UHFFFAOYSA-N 296.761 3.743 30 20 CHED COC[C@H](c1ccc(Cl)cc1)N(C)CC1(CC#N)CC1 602823059 VTJGFXWVSAYSSH-OAHLLOKOSA-N 292.810 3.653 30 20 CHED CC[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1 447598970 JCEPZDFPSICTRX-CVEARBPZSA-N 286.419 3.945 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccccc1C)C1CC1 357523203 DISXJYDMHPZDIB-AWEZNQCLSA-N 257.377 3.666 30 20 CHED COc1cc(CNCc2ccc([C@H]3C[C@@H]3C)o2)ccc1C#N 353223299 SPVKZOGPNFXJHE-LRDDRELGSA-N 296.370 3.573 30 20 CHED N#CC[C@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 600177755 LVMQYPQSGUYRKJ-SNVBAGLBSA-N 288.338 3.893 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1cc2c(s1)CCCC2 539714882 RBUUOXIDCKHVMN-CYBMUJFWSA-N 292.448 3.781 30 20 CHED C=C(C)COc1cccc(NC(=O)C2CCSCC2)c1 264814835 DDRPXNJQNSUXNG-UHFFFAOYSA-N 291.416 3.723 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1c(C)noc1C 358587843 KRPNLMFLYBMRQD-UHFFFAOYSA-N 287.359 3.916 30 20 CHED CC#CCNC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 534205011 MMSNWPADUZSRHS-KRWDZBQOSA-N 284.403 3.680 30 20 CHED C=CCOc1cccc(CN2CCS[C@@H](C)[C@@H]2C)c1 353841640 FGJCYWXBZKFHRT-KBPBESRZSA-N 277.433 3.577 30 20 CHED C=CC[C@@H]1N(C(=O)CCCn2cccc2)CCCC1(C)C 444642815 XRJJYJJUGGYCMA-INIZCTEOSA-N 288.435 3.862 30 20 CHED CC(C)(c1ccccc1)c1noc(C2(C#N)CCCC2)n1 445485217 WLPBIKTVXKOZIK-UHFFFAOYSA-N 281.359 3.731 30 20 CHED C=CCOc1ccc(CNCC(C)(C)C=C)cc1OC 449484393 GYRTVMKACPCZED-UHFFFAOYSA-N 275.392 3.562 30 20 CHED CCSc1cccc(F)c1NC(=O)NCC(C)(C)C#N 353978245 ZWMPPFZJJIGNEE-UHFFFAOYSA-N 295.383 3.609 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)Cn2cc(C)c(C#N)c2)cc1 532906480 GEPGXDSIQDABIX-CYBMUJFWSA-N 295.386 3.820 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccoc1 619754610 GACHLOBYDUPONE-JTQLQIEISA-N 260.724 3.655 30 20 CHED N#CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 264086553 APWXOIUCJVWMCO-UHFFFAOYSA-N 287.241 3.719 30 20 CHED CCCCN1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1 538395300 JPRXQEIAHGICNH-APWZRJJASA-N 299.462 3.863 30 20 CHED C=CCCSCCCOc1ccc(OC)cc1 610092507 NGDAEAVSZOWTFS-UHFFFAOYSA-N 252.379 3.773 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)CC(C)(C)C#N 458254326 PCCIJNMVCJHIAF-KBPBESRZSA-N 279.428 3.536 30 20 CHED COc1ncc(CN(CCC#N)CCC(C)C)cc1Cl 611033535 GQTGDQRSKFJWEW-UHFFFAOYSA-N 295.814 3.505 30 20 CHED N#Cc1cc(F)ccc1N1CCCO[C@@H](c2ccccc2)C1 610278885 MKBXHOMLKLLWPG-GOSISDBHSA-N 296.345 3.665 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)NCc1cccc(C#N)c1 457692281 ZFSSEMMKUMQINA-GOSISDBHSA-N 299.418 3.668 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)NCC(C)(C)CC#N 459236846 MDIXYKHNNZPNSH-MRXNPFEDSA-N 279.428 3.536 30 20 CHED CCCCCCCCC(=O)N1CC[C@](CO)(CCC)C1 365616713 LOXZMVLITBTAFI-QGZVFWFLSA-N 283.456 3.748 30 20 CHED C=CCC1(C(=O)N2C[C@H]3CCC[C@@H]3C2)CCCCC1 450087518 DETXYCSDFQWLCH-HUUCEWRRSA-N 261.409 3.772 30 20 CHED C=CCN(C(=O)N[C@H](CC)c1ccc(F)cc1F)C1CC1 271350376 DGSQCSOOBSJRNW-OAHLLOKOSA-N 294.345 3.776 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccc(Cl)cc1 457463510 QGMRHXMOJPSYFI-LLVKDONJSA-N 293.798 3.640 30 20 CHED COc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618802445 KMOOJVNFRSABHP-BFUOFWGJSA-N 292.382 3.905 30 20 CHED N#Cc1cnc2c(F)ccc(F)c2c1N1CCC2(CCC2)C1 610716630 HBJWIMRGPAHCMB-UHFFFAOYSA-N 299.324 3.765 30 20 CHED C=CCC[C@H](C(=O)NCC(=C)Cl)c1ccccc1 275059025 VUIDWOCMSRBCLZ-AWEZNQCLSA-N 263.768 3.605 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CCC(C)(C)C2)c1 541578942 XYEMZQKPFZHKAR-AWEZNQCLSA-N 256.349 3.751 30 20 CHED CC(C)CN(C[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 450524132 LUIJJHPDULCJLN-CGTJXYLNSA-N 284.403 3.588 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(SC)c(Cl)c1 450034631 XJXQQOLMVJPQII-PWSUYJOCSA-N 297.807 3.592 30 20 CHED C=C(CC)CNC(=O)Nc1cnn(-c2ccccc2)c1CC 455255737 MZKPULAECKAVAN-UHFFFAOYSA-N 298.390 3.522 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2ccc(C)cc2)no1 273632283 AOSOGGWRRNCNJG-ZDUSSCGKSA-N 272.348 3.623 30 20 CHED Cc1ccnc(N[C@H](c2ccccc2)[C@H]2CCCO2)c1C#N 273384833 UCHRGPNXJYEAEN-IAGOWNOFSA-N 293.370 3.594 30 20 CHED CCOC(=O)c1ccc(C#N)c(S[C@H](C)CC(C)C)n1 450797638 UMZDIVOMVLPFRH-LLVKDONJSA-N 292.404 3.657 30 20 CHED CC(C)[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 459244751 IQCQJZOEFDTHRG-DLBZAZTESA-N 299.418 3.523 30 20 CHED N#Cc1c(F)cccc1Nc1ccc([C@@H]2CCOC2)cc1 549639547 MXHDCBCBAGSXCW-CYBMUJFWSA-N 282.318 3.945 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)NCC(C)(C)CC#N 457988424 CULQFSBBVIAFMY-CQSZACIVSA-N 290.432 3.613 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cc(C)sc1C)C1CC1 271525327 WNOGQGDAKBDWOT-NSHDSACASA-N 278.421 3.786 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](CC)C1 549634043 HOQYWDLGJUEMER-HUUCEWRRSA-N 290.455 3.994 30 20 CHED Cc1c(Cl)cnc(N(C)C(C2CC2)C2CC2)c1C#N 542208286 UGUQBIHAQLIDMN-UHFFFAOYSA-N 275.783 3.540 30 20 CHED C[C@@H](CCc1cccc(F)c1)NCCc1cccc(C#N)c1 467438778 IFEDSKUTSFUJEE-HNNXBMFYSA-N 296.389 3.851 30 20 CHED CCC(CC)(C(=O)N1CCC(CC#N)CC1)c1ccccc1 541051101 IMLCVEVQGJTZRG-UHFFFAOYSA-N 298.430 3.897 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 460602715 QTFHBPQAKPSIKJ-ARFHVFGLSA-N 299.414 3.950 30 20 CHED CC[C@@H]1Cc2ccccc2CN1Cc1cc(C#N)cs1 468680938 QKGWZLMNCVRKCR-MRXNPFEDSA-N 282.412 3.957 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@@H](C(C)(C)C)C2)c1 544410913 GCBUNVJKCUJAQR-OAHLLOKOSA-N 270.376 3.633 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 285651367 MGFCVOJWOJGOPX-WFASDCNBSA-N 288.778 3.616 30 20 CHED C=CC[C@@H](CC)N[C@H](COC)c1ccc(Cl)cc1 467408405 QQZGNOATSHCYRX-HUUCEWRRSA-N 267.800 3.972 30 20 CHED N#CCc1cccc(C(=O)N2CCC(C3CCCC3)CC2)c1 371115789 GYANBFVEJPGSBT-UHFFFAOYSA-N 296.414 3.795 30 20 CHED C=CCC(C)(C)CNCc1cccc(OC(F)F)c1 550228010 WWYJQCSECOAWTD-UHFFFAOYSA-N 269.335 3.980 30 20 CHED C=C(C)[C@@H](CC(=O)N([C@H](C)CC)[C@H](C)CC)OCC 467210078 BLDWSXKUHFEUBL-RBSFLKMASA-N 269.429 3.783 30 20 CHED N#CCC[C@H](C#N)CN1CC=C(c2cccc(Cl)c2)CC1 280263271 PYIFTTMCDIFDEL-CQSZACIVSA-N 299.805 3.873 30 20 CHED CC(C)n1cc(/C=C2/C[C@@H](C)c3ccccc3C2=O)nn1 287346208 XFNMYZAQAIXGMB-FNWMBBJUSA-N 281.359 3.633 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2ccc(OC)cc2[nH]1 558474230 XZUGPKCQVLVSBI-UHFFFAOYSA-N 286.375 3.509 30 20 CHED CCO[C@@H]1C[C@H](NCc2ccccc2C#N)C12CCCCC2 559326835 CSDQAUFHALKNNI-ZWKOTPCHSA-N 298.430 3.776 30 20 CHED C=CCCCC(=O)NCCc1ccccc1C(F)(F)F 479576963 VCGSKTUVPLZSKT-UHFFFAOYSA-N 285.309 3.720 30 20 CHED C=CCc1ccc(OC(=O)CCCCCC#N)c(OC)c1 805850481 UMIULZYPLJLMBT-UHFFFAOYSA-N 287.359 3.803 30 20 CHED C[C@@H]1CC(=NNc2ccc(C#N)cc2)c2ccccc21 807962906 JTISFXIISJZYOB-GFCCVEGCSA-N 261.328 3.882 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2cc(C#N)ccc2C)c1 476789677 KUUYWMDCAVPIJP-UHFFFAOYSA-N 293.370 3.839 30 20 CHED C#CCC(C)(C)c1nc(C(C)(C)Cc2ccccc2)no1 809487396 QCIYIOIJHKUXAT-UHFFFAOYSA-N 282.387 3.891 30 20 CHED C=CCn1c(N(C)[C@@H](C)c2ccco2)nnc1C(C)(C)C 290052095 BCNHTLARWIJCBZ-LBPRGKRZSA-N 288.395 3.552 30 20 CHED Cc1cc(OC(=O)[C@@H](C)C(F)(F)F)c(C)c(C)c1C#N 809036408 XGHZXADNVOALMZ-SNVBAGLBSA-N 285.265 3.587 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)Nc1scc(C)c1C#N 566420961 SYPSATNIPYVCOP-GXSJLCMTSA-N 277.393 3.581 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(Cl)c[nH]2)CCCC1(C)C 470274821 AGGSTVPZTZMPKO-ZDUSSCGKSA-N 280.799 3.875 30 20 CHED N#CCCCCCC(=O)OC[C@@H]1CCC2(CCCCC2)O1 805695770 HZORPNFNMSIVNV-HNNXBMFYSA-N 293.407 3.886 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)/C=C\c1ccccc1C#N 801093853 BGVDGSVRZLISJA-WIDZWVOGSA-N 296.414 3.999 30 20 CHED N#Cc1ccc(F)cc1CN(C#N)c1cccc(Cl)c1 478764156 TYPNAWPXHTZQPW-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[C@@H](C#N)C1 471592712 GFVKTOINOUITLI-LNCBFAARSA-N 254.377 3.592 30 20 CHED C#Cc1ccc(CN[C@H](CCC)[C@H](O)c2ccccc2)cc1 809657267 ZGHGSHZOYCDWOY-WOJBJXKFSA-N 293.410 3.660 30 20 CHED C=CCCCCNC(=O)[C@H](C)c1ccc(Cl)cc1 649932755 FBFVZEBYFVZOFN-GFCCVEGCSA-N 265.784 3.916 30 20 CHED C=CCCCCCCNC(=O)N1[C@@H](C)CC[C@@H]1C 807569313 DUKSSQIRBVHHPT-KBPBESRZSA-N 252.402 3.705 30 20 CHED N#Cc1cccc(Cl)c1NC1CCN(C2CCC2)CC1 296102707 USYVCYXOPYJIFD-UHFFFAOYSA-N 289.810 3.640 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(CC1CC1)C1CCC1 562027807 VRYUBMQDIUKCSX-CYBMUJFWSA-N 288.439 3.747 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC1(CC)CCCCC1 474182455 ILMSOJRRZNOJIH-MRXNPFEDSA-N 281.440 3.692 30 20 CHED Cc1ccc(CC(=O)Nc2ccc(C#N)cc2)c(Cl)c1 474914148 OTIVPBACXFGYRD-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CC(C)O[C@H](CN1CCC(CC#N)CC1)c1ccccc1 568346639 YVNXJBIDKFPENQ-GOSISDBHSA-N 286.419 3.778 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](OC)c1cccc(Cl)c1 645653531 SNGGLFYEIJBPNM-CQSZACIVSA-N 295.810 3.746 30 20 CHED CC(C)(C#N)CCCCSc1cccnc1C#N 568651589 GJGDPRVGJKIKQC-UHFFFAOYSA-N 259.378 3.765 30 20 CHED N#C[C@H]1CC[C@@H](NC2CCC(c3ccc(O)cc3)CC2)C1 566137722 GOOVOGVZILBSPB-VFNXUKNFSA-N 284.403 3.700 30 20 CHED C=C(C)CN[C@H](C)[C@H](OC)c1ccccc1Cl 481376598 JRWOADGNMZZNDY-RISCZKNCSA-N 253.773 3.582 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C1[C@@H]2CCC[C@@H]12 485644983 PQBSLEYSUTZRAH-VXGBXAGGSA-N 295.835 3.962 30 20 CHED CC[C@H]1CC[C@H](NC(=O)N2CCC(CCC#N)CC2)CC1 566156424 FOWZOTSVYGRHQN-KOMQPUFPSA-N 291.439 3.681 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NOC[C@@H](C)CC 813829037 BVJMEEMUGTZTTJ-HNNXBMFYSA-N 290.407 3.752 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1ccc(OC(F)F)cc1 488646156 WDRZWUFRTQXXTR-VXGBXAGGSA-N 282.334 3.831 30 20 CHED Cc1cccnc1NN=C1CCC[C@@H]1C(C)(C)C#N 814911417 GLUAQLPRCIQUHJ-LBPRGKRZSA-N 256.353 3.508 30 20 CHED C=CCCCC[C@H](C)NCc1cccc(C(=O)OC)c1 482220963 OONQKJDRIAWBEB-AWEZNQCLSA-N 275.392 3.698 30 20 CHED COc1cccc2cc(C(C)=NOC/C=C/Cl)oc12 811671493 GOKAUHBHIWWARE-JEVKGGJXSA-N 279.723 3.935 30 20 CHED C=C(C)C(C)(C)c1nc(-c2c(C)nsc2C)no1 572355376 HNDWDAHMIJLXJZ-UHFFFAOYSA-N 263.366 3.664 30 20 CHED C[C@@](C#N)(NC(=O)CC1=CCCCC1)C1CCCCC1 577435997 REOOIMMKTNTDKS-KRWDZBQOSA-N 274.408 3.856 30 20 CHED COc1ccc2nc(NN=C3CC4(CC4)C3)c(C)cc2c1 814899376 SUTJEJOZWWMKDD-UHFFFAOYSA-N 281.359 3.894 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)c1ccccc1 571009434 OPSBYCQWMGLKMM-UHFFFAOYSA-N 265.316 3.535 30 20 CHED CC#CCN(C)C(=O)c1ccccc1NC1CCCCC1 572317573 BPFOWBREGHYVKB-UHFFFAOYSA-N 284.403 3.527 30 20 CHED Cc1cc(NCCc2ccc(OC(C)C)cc2)cc(C#N)n1 573118436 PBULSUNHAPJDIN-UHFFFAOYSA-N 295.386 3.704 30 20 CHED CCOc1ccc(NN=Cc2nc(Cl)cs2)cc1 814985292 AKPUCHNPVZMVMY-UHFFFAOYSA-N 281.768 3.641 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@@H]1c1ccccc1 572048507 GBKBDDOUDITUCE-MRXNPFEDSA-N 296.418 3.929 30 20 CHED Cc1cccc(/C=C2/Cc3ccc(C#N)cc3C2=O)c1C 811694446 QTSNJFUTRGQRRK-MFOYZWKCSA-N 273.335 3.998 30 20 CHED C=CCCCCCN(C)Cc1ccc(C#N)c(F)c1 483962305 WLXMIMNQKAVUQS-UHFFFAOYSA-N 260.356 3.876 30 20 CHED Cc1ccc([C@H](C)N(C)c2ccc(C#N)c([N+](=O)[O-])c2)cc1 576708217 BPZHPSYYJLRCDK-ZDUSSCGKSA-N 295.342 3.972 30 20 CHED C=C(CC)CN[C@H](CC)c1cc(OC)c(OC)c(OC)c1 652206653 NOXLOUNKUZOBCC-CQSZACIVSA-N 293.407 3.719 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1cc(C2CC2)nn1C 826795961 GAZLEKCJFMRUMR-BBRMVZONSA-N 273.424 3.522 30 20 CHED N#CC1(CCOC(=O)[C@@H]2CCc3cccnc32)CCCCC1 820830267 WZLPSQWSURLDCX-OAHLLOKOSA-N 298.386 3.519 30 20 CHED CC/C(C)=C/C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 826813077 RNUBKJKEWHZCIN-VAWYXSNFSA-N 295.304 3.529 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 572433000 WNLSHVBAYZJPOE-JYJNAYRXSA-N 286.419 3.715 30 20 CHED C[C@@H](OC(=O)Cc1cccc(F)c1)c1cccc(C#N)c1 727639389 LQJZLNTWNKPJAB-GFCCVEGCSA-N 283.302 3.544 30 20 CHED C#Cc1cnc(N2CCCC[C@H]2c2cccc(C)c2C)nc1 827702666 TXPOVYNLLRUEAE-SFHVURJKSA-N 291.398 3.806 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)N1CCC(CC#N)CC1 583246645 ZLTGYTBHLMSSOI-HOTGVXAUSA-N 291.439 3.538 30 20 CHED C=CCC1(NC2CC(c3ccc(F)cc3)C2)CCOCC1 668552713 RYPVDLCRKNVYKZ-UHFFFAOYSA-N 289.394 3.787 30 20 CHED C=CCCC[C@H](NCc1ccc(Cl)c(C)c1)C(=O)O 900069056 ULFOTMXWNNVTTG-AWEZNQCLSA-N 281.783 3.548 30 20 CHED C=CCCC[C@H](C)N(C)Cc1cc(C(C)(C)C)n[nH]1 581171007 MOQDWHUKHSQKSV-ZDUSSCGKSA-N 263.429 3.884 30 20 CHED C=CCCC[C@H](C)N[C@H]1CCC[C@H](C(F)(F)C(=O)O)C1 902262408 IYMPPGFMDKXOOF-AVGNSLFASA-N 289.366 3.600 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1F 731488692 PIBNBGLFKWKQKJ-BQYQJAHWSA-N 285.274 3.938 30 20 CHED Cc1ccc2sc(C(=O)N[C@](C)(C#N)C(C)C)cc2c1 589273005 VVWPHJKNCCIDQO-MRXNPFEDSA-N 286.400 3.878 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)CCCF 665404320 DHFVXHRQIHNMEQ-UHFFFAOYSA-N 275.776 3.666 30 20 CHED CC(C)COc1ccc(/C=C2\CCn3ccnc3C2=O)cc1 901538168 XMGVENFSKNUZGT-RVDMUPIBSA-N 296.370 3.588 30 20 CHED CC(=O)c1cc(C#N)ccc1NCc1coc(C(C)(C)C)n1 901421403 YHXNPUDJWIUZIH-UHFFFAOYSA-N 297.358 3.658 30 20 CHED Cc1ccc(C)c(NC(=O)Cc2c(C)cc(C#N)cc2C)c1 905008106 AGHTYSXDIHPZBZ-UHFFFAOYSA-N 292.382 3.973 30 20 CHED CC(C)c1cccc(/C=C2\CCn3ccnc3C2=O)c1 901534036 GPELLTWZLOLTKS-RVDMUPIBSA-N 266.344 3.677 30 20 CHED CC[C@@H](NC[C@H](O)c1ccccc1C)c1cccc(C#N)c1 902803737 XYNZETNEMPSTFF-MOPGFXCFSA-N 294.398 3.641 30 20 CHED C#CCCOC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 739153151 LBDDSRYSAPUCJW-CQSZACIVSA-N 258.361 3.870 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(Cl)c2Cl)cnn1C 588397329 SDWOVWWTEVSTHF-SREVYHEPSA-N 295.169 3.931 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccccc1N(C)C 665456927 PPYAJZCFQUTKLH-UHFFFAOYSA-N 275.396 3.619 30 20 CHED Cc1cccnc1S[C@H](C#N)Cc1ccccc1 588106270 BUKHSUVRCHHBKI-AWEZNQCLSA-N 254.358 3.617 30 20 CHED CCC(C)(C)C1CCC(=NNc2cccnn2)CC1 735974694 LOJWPFZPVQGOMJ-UHFFFAOYSA-N 260.385 3.871 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H](C3CC3)C2)c1C#N 588855210 ZQXCVKNZEHNHAU-GFCCVEGCSA-N 275.783 3.542 30 20 CHED CC(C)(C)C#CCOC(=O)c1cc2ccncc2s1 835389875 HVEMHTTXGFPDIL-UHFFFAOYSA-N 273.357 3.503 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCSc2ccccc21 588150463 VPPQYACKGPNHOE-CQSZACIVSA-N 288.416 3.814 30 20 CHED Cc1ccc2c(c1)C(=NN=c1cc[nH]c3ccccc13)CC2 730950287 COKZRFFYTUHQPX-UHFFFAOYSA-N 287.366 3.728 30 20 CHED CSc1ccc(N=Cc2cccc(O)c2O)cc1 730550566 XZDXTMKTJGKIHH-UHFFFAOYSA-N 259.330 3.570 30 20 CHED C=C(CNc1ncnc2cccc(F)c12)c1ccccc1 673461810 XXPYWNFSYOYNCS-UHFFFAOYSA-N 279.318 3.894 30 20 CHED CC(=NNc1cccc(C)c1)c1cc(F)ccc1O 916581186 QJEXEDQULSWDIA-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCCc2ccc(C#N)cc2)o1 594956700 YTKCNNPUCHBRHE-GUYCJALGSA-N 280.371 3.607 30 20 CHED COc1ccc2oc(CN3CCC[C@@H](CC#N)C3)cc2c1 597175771 DPBYMSNTUHTNDX-ZDUSSCGKSA-N 284.359 3.567 30 20 CHED CNc1cccc(-c2ccc(OC)c(C3(C#N)CC3)c2)c1 596640414 IKGDSHRIMVLCNC-UHFFFAOYSA-N 278.355 3.959 30 20 CHED N#C[C@@]1(C(=O)NCCCCc2ccccc2)CC12CCCC2 590619207 XLCYNXBLANCMGE-LJQANCHMSA-N 296.414 3.600 30 20 CHED CC[C@@](C)(C=NNc1nc2ccccc2cc1C)OC 834971430 YIJJRUZIMGBUSO-INIZCTEOSA-N 271.364 3.756 30 20 CHED CN(CCC#N)Cc1oc2ccccc2c1Br 594597572 OTFSFGLHKKOPPR-UHFFFAOYSA-N 293.164 3.541 30 20 CHED C=C[C@@H](C)NCc1cn(Cc2ccccc2)nc1C(C)(C)C 678937600 POJCWSQQYCYKLS-OAHLLOKOSA-N 297.446 3.893 30 20 CHED N#Cc1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)cc1 592442381 PAKFOZRXNOFJRP-INIZCTEOSA-N 297.329 3.922 30 20 CHED CCCCCCCCCn1c(C)cc(=O)n2nccc12 842021145 CWFZDPAWNOQXEP-UHFFFAOYSA-N 275.396 3.555 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 919364898 GKTUPAPMCKOJQY-GHMZBOCLSA-N 277.286 3.592 30 20 CHED C=CCC[C@H](CCC)NCCc1ccc2c[nH]nc2c1 671301860 QROYOXHKDRCALO-INIZCTEOSA-N 271.408 3.830 30 20 CHED COc1ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1C#N 742379365 WPEJTTZJBQHWGL-BFYDXBDKSA-N 284.403 3.625 30 20 CHED CC(C)[C@H]1CCC[C@H]1NCCc1ccc(C#N)cc1 595055384 CDHVAQNAPNVIEZ-IAGOWNOFSA-N 256.393 3.515 30 20 CHED C=C(C)CONC(=O)c1cc(C2CC2)nc2ccc(C)cc12 846536877 DKGXCMDWIMWQRB-UHFFFAOYSA-N 296.370 3.658 30 20 CHED C[C@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccc(Cl)s1 597907851 IPAPKOFFUJOIIQ-QWRGUYRKSA-N 296.823 3.657 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1coc2ccc(Cl)cc12 593728499 MMELKLJOFSXXCO-UHFFFAOYSA-N 290.750 3.708 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1cccc(C2CC2)c1 840612975 VMHCNIITRXCZGK-UHFFFAOYSA-N 271.360 3.590 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1ncc(C(C)(C)C)o1 747709052 GGRBMLJLCSLPBX-GFCCVEGCSA-N 295.379 3.559 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)CCSCC)C1 595539876 NNKXEVSUTPRLMJ-KGLIPLIRSA-N 284.469 3.516 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@@H](C2CCC2)C2CC2)cc1 590892881 ZDDCTWMHNHSLCC-KRWDZBQOSA-N 296.414 3.796 30 20 CHED C=C(C)CCOC(=O)C(C)(C)c1ccc(F)cc1 744303895 DGGFHJBVCUATIW-UHFFFAOYSA-N 250.313 3.613 30 20 CHED CCCCC(CC)=NNc1ccc(CC(=O)O)cc1 848414665 BBMIPUKHWWHAMC-UHFFFAOYSA-N 262.353 3.682 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1scnc1C 747642072 JHTLEJCGTSWXGC-UHFFFAOYSA-N 285.294 3.705 30 20 CHED CCCC(CCc1ccccc1)=NNc1ccc(C)nn1 740761748 JGMJKPUQRFXFBX-UHFFFAOYSA-N 282.391 3.986 30 20 CHED C=CCCSCCNC(=O)c1cc(Cl)ccc1C 597968840 NGWQNGHQZCDELF-UHFFFAOYSA-N 283.824 3.688 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1cccc(C#N)c1 748449857 PCGGDXAEPGMTRW-LSDHHAIUSA-N 297.379 3.775 30 20 CHED C#C[C@@H](CCC)NC(=O)CCCc1ccc(SC)cc1 843603916 IVHLFBGQWYYEJC-HNNXBMFYSA-N 289.444 3.649 30 20 CHED Cc1ccc(C)c(NC(=S)N(CCC#N)CC(C)C)c1 916121702 GSKMCAPNQZWEPH-UHFFFAOYSA-N 289.448 3.872 30 20 CHED CC#CCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 744946212 LNHVJNJSKPFYMC-MNOVXSKESA-N 283.154 3.663 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1ccncc1C#N 592096724 CWPJHQJVSQZMPS-COXVUDFISA-N 271.408 3.504 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCCC[C@H]2C2CC2)cc1 595057919 YLRXXLHHTJVSSO-ZWKOTPCHSA-N 268.404 3.659 30 20 CHED Cc1ccc(OC(=O)C2(C#N)CCCC2)cc1Cl 841335119 XEPSFEYCJNHTEK-UHFFFAOYSA-N 263.724 3.638 30 20 CHED C(=NNc1ncnc2ccsc12)c1coc2ccccc12 746576559 AFFUNWIQPYXVEQ-UHFFFAOYSA-N 294.339 3.884 30 20 CHED N#CC1(CNC(=O)c2cc3cccc(Cl)c3o2)CCC1 841466708 FBGUIGCBUUUXQS-UHFFFAOYSA-N 288.734 3.510 30 20 CHED COc1ccc(COC(=O)CCCCCC#N)cc1C 922732788 BXZCLFSTRFVLKA-UHFFFAOYSA-N 275.348 3.521 30 20 CHED COc1cc(F)cc(C[C@H](C)N[C@@H](C)CC(C)(C)C#N)c1 926556436 XRXYRBBFALJWPE-STQMWFEESA-N 292.398 3.683 30 20 CHED FC(F)(F)CC(=NO[C@H]1CCCCO1)c1ccccc1 755820272 KWEMHIWEDBLKMK-ZDUSSCGKSA-N 287.281 3.886 30 20 CHED CC1=C(Br)CN([C@@H](C#N)c2ccccc2)CC1 852006228 IHZBFHJTHOFHMP-AWEZNQCLSA-N 291.192 3.626 30 20 CHED COc1ccc(NN=Cc2ccc(SC)cc2)cc1 750921913 LYNYLIJDTJOSMP-UHFFFAOYSA-N 272.373 3.863 30 20 CHED C=CCCC(C)(C)NCc1cc(C(OC)OC)ccc1F 850416829 FXEKZDCFGDGTCL-UHFFFAOYSA-N 295.398 3.952 30 20 CHED C#CC(=O)N(CCC(C)C)[C@H](C)CCCC(C)C 754051262 JQNLCUIIJHKCHJ-OAHLLOKOSA-N 251.414 3.709 30 20 CHED CC1(C)CCC(CC(=O)OCCCCC#N)CC1 751837554 RDUVFBCDDLFADJ-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C=CC[C@H](CC)NC(=O)NCCCCc1ccccc1 684883758 VIRWHZRITMPNNL-INIZCTEOSA-N 274.408 3.663 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](CCC)c1ccc(F)cc1F 753180046 MKHSRRXPMUPUNO-WFASDCNBSA-N 294.345 3.517 30 20 CHED COc1cc(C)c(C=NNc2cccc(F)c2)cc1OC 751527383 XETRIAHURLSWPT-UHFFFAOYSA-N 288.322 3.597 30 20 CHED CC(CC1CCOCC1)=NNc1cc(F)ccc1C 853394154 YPWAHTMPXHMMCJ-UHFFFAOYSA-N 264.344 3.739 30 20 CHED C[C@H](CC=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 755650744 WVDPQZWVJFWUDX-GFCCVEGCSA-N 284.319 3.581 30 20 CHED CC(C)c1ccc(NN=Cc2c(C3CC3)cnn2C)cc1 853356086 OFGKMVSQRBAJLS-UHFFFAOYSA-N 282.391 3.867 30 20 CHED C=CCc1cc(CN2C[C@H](C)C[C@H]2CC)c(O)c(OC)c1 754736722 KMLJRGBKCFCGJO-CZUORRHYSA-N 289.419 3.750 30 20 CHED CC[C@@H](C)n1ncc(N[C@H](C)CC(C)(C)C#N)c1C 926274969 DKQCFJDMXYJVKO-VXGBXAGGSA-N 262.401 3.903 30 20 CHED C#CC[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 921934938 ICVTZTKHCNIROA-IBGZPJMESA-N 291.394 3.866 30 20 CHED C[C@@H](CCc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1O 920942971 WFBQPYSKLGBAAL-CYUIRQCWSA-N 298.342 3.741 30 20 CHED Cc1ccc(C=NNc2nc(C(F)(F)F)cs2)s1 755900638 MUKPJGDPNVJELE-UHFFFAOYSA-N 291.323 3.978 30 20 CHED C=CC(C)(C)CCOC(=O)c1scnc1Cl 851299075 YDUBXBMJNPXRPC-UHFFFAOYSA-N 259.758 3.556 30 20 CHED CC[C@@H](C)Oc1ccc(NC[C@H](O)CC(C)(C)C#N)cc1 857238306 LUQWCTCBOBNPBI-UKRRQHHQSA-N 290.407 3.577 30 20 CHED C=CCCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 750834079 IUKNGNARRPXWDF-CABCVRRESA-N 279.449 3.992 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1cccc(-c2nc(C)cs2)c1 854697625 HJLGAYQCDNXNNU-KRWDZBQOSA-N 298.411 3.650 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1c1cccc(C)n1 934893125 LUYUBIISRONBPI-HOCLYGCPSA-N 272.392 3.656 30 20 CHED C=CC[C@H]1CCCCC1=NNc1ccc(OC)cn1 853335905 JZIPZKKSHMFQPD-LBPRGKRZSA-N 259.353 3.624 30 20 CHED Fc1cccc(F)c1NN=C[C@@H]1CCOc2ccccc21 752165525 JQJULPMEWMWDDG-NSHDSACASA-N 288.297 3.929 30 20 CHED C/C=C(/C=C/C(=O)OCc1ccc(F)cc1C#N)CC 767664331 NDLLKNYKFGOIRE-NBKHWYKPSA-N 273.307 3.653 30 20 CHED C#C[C@@H](OC(=O)CC1CCSCC1)c1ccc(C)cc1 860964020 HUGABMIGLIPBNS-MRXNPFEDSA-N 288.412 3.746 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 768317077 DMAKFPFLHMWVPN-WBVHZDCISA-N 286.419 3.988 30 20 CHED C#CCCN1CCCCC[C@H]1c1ccc(OC)cc1 764232853 QCODOEVYEBJNHC-KRWDZBQOSA-N 257.377 3.636 30 20 CHED C#C[C@@H](OC(=O)c1cnc(CC)s1)c1ccc(C)cc1 860963837 DSAIEOYPVPALIL-CYBMUJFWSA-N 285.368 3.545 30 20 CHED C=C1CCN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC1 930826881 BCYIFGLYPHYUOU-NSHDSACASA-N 292.345 3.715 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)COc1ccccc1C#N 768191391 YLNAGGNECGBQJZ-CQSZACIVSA-N 295.338 3.550 30 20 CHED C#CCCc1noc(C[C@H]2C[C@H](C)CC(C)(C)C2)n1 762008045 XOEIQBHBCPDLDJ-QWHCGFSZSA-N 260.381 3.640 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCC[C@@H]1CCCCO1 761015964 SUHDWOCAMWVVDL-MPMPPSQCSA-N 281.783 3.814 30 20 CHED C=CC[C@@H](OC(=O)[C@H](OCC)C1CC1)c1ccccc1 860678244 XBDVFOJOHIAYKD-HZPDHXFCSA-N 274.360 3.662 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cc(Cl)c2c(c1)OCO2 769784187 PSQNBBRFLGQECM-IHWYPQMZSA-N 290.702 3.866 30 20 CHED Cc1ccccc1C(C)(C)C(=O)Oc1ccc(C#N)cc1F 769739214 BUGPJCLCENYXLY-UHFFFAOYSA-N 297.329 3.889 30 20 CHED CCCCCCCC(=O)NCc1cc(C)ccc1O 862760914 YGCLKMBDODHADR-UHFFFAOYSA-N 263.381 3.677 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)cnc1Cl 760264935 SVOILAMPFBPZMG-DUXPYHPUSA-N 299.757 3.874 30 20 CHED CCC#C[C@H](C)N1Cc2ccc(Br)cc2C1 765052697 LPHVDYNRTVKSHM-NSHDSACASA-N 278.193 3.567 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1scnc1C 764774787 FVHGKISCJGOJCH-UHFFFAOYSA-N 296.399 3.514 30 20 CHED CSc1cc(C(=O)O[C@@H](C)C#N)c(Cl)cc1Cl 761299448 NKSKAGZQXPTFSQ-LURJTMIESA-N 290.171 3.784 30 20 CHED C=CCN(C(=O)c1ccc(F)c(SC)c1)C(C)C 766346641 PGFSNCKRFDVYGB-UHFFFAOYSA-N 267.369 3.584 30 20 CHED CCC(=NNc1cc(C#N)cc(Cl)n1)c1ccccc1 768381786 MKSAUOLDVCLMIU-UHFFFAOYSA-N 284.750 3.833 30 20 CHED O=C1/C(=C/c2ccccc2C2CC2)CCc2nc(O)ccc21 769615272 PSJDPGSBKXFWCH-SDNWHVSQSA-N 291.350 3.877 30 20 CHED C#CCCCCCCNc1ccc(N(C)C(=O)OC)cc1 876823352 GIBPPFWLSIYIQI-UHFFFAOYSA-N 288.391 3.885 30 20 CHED CC(C)c1ccc(C(=O)OCCC(C)(C)C#N)c(O)c1 776381437 UOCRZVRLJSEHCM-UHFFFAOYSA-N 275.348 3.612 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 879028779 LLXFDBFWOYMXQC-IRXDYDNUSA-N 296.414 3.887 30 20 CHED C=CCCOC(=O)c1csc(Br)c1C 772457011 KSFZWIPESBBIIH-UHFFFAOYSA-N 275.167 3.552 30 20 CHED C#CCCCCCC(=O)Nc1nc2cc(C)cc(C)c2o1 779971392 XBGNYOKTEWTMPM-UHFFFAOYSA-N 284.359 3.967 30 20 CHED C=C(C)CN(C)c1nc(C(F)(F)F)nc2ccccc12 777996179 WOTIPAJHQQDMSP-UHFFFAOYSA-N 281.281 3.661 30 20 CHED CN(c1cccc(CC#N)n1)[C@@H]1CCC[C@@H]1c1ccccc1 1118003876 JDRYIWGKLQFNIW-QZTJIDSGSA-N 291.398 3.920 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1sccc1O 771745466 UHAPSAGFUUQUIP-RJRFIUFISA-N 266.268 3.628 30 20 CHED C[C@@H](C#N)Oc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 779707556 VBCAANKZASBOLH-VIFPVBQESA-N 299.280 3.799 30 20 CHED Cc1ccc(N(C)C(=O)Cc2ccccc2CC#N)c(C)c1 776836126 HOUWKGHPIFRBEL-UHFFFAOYSA-N 292.382 3.575 30 20 CHED CCCCC[C@H](CC)C(=O)N(CCC#N)C(C)C 775686103 DDWJWZBFSPLNBL-AWEZNQCLSA-N 252.402 3.744 30 20 CHED CC(=NNc1cc(Cl)ccc1F)[C@@H]1CCCOC1 872418652 YMPIAUQYEWSRGD-SNVBAGLBSA-N 270.735 3.694 30 20 CHED CCCOc1ccccc1NC(=O)c1ccc(CC#N)cc1 58243059 ZOJAUQJRJXAZDZ-UHFFFAOYSA-N 294.354 3.794 30 20 CHED C#CCCCCCC(=O)NCC1(CCOC)CCCCC1 773456679 XTJZSPAOYJDUIX-UHFFFAOYSA-N 293.451 3.673 30 20 CHED C=C(CC)COC(=O)c1cn(C)nc1C1CCCCC1 773503760 AYKQJCWQVAGREG-UHFFFAOYSA-N 276.380 3.591 30 20 CHED C#CCCCCCC(=O)N(CC)c1ccccc1F 779807507 AQVURBCEANUYAW-UHFFFAOYSA-N 261.340 3.762 30 20 CHED CCC1(CC)C(=NNc2cc(Cl)ccn2)C[C@@H]1OC 777906138 SPPNUQFMCPYTOE-LBPRGKRZSA-N 281.787 3.728 30 20 CHED CCC(CC)CNN=C(C)CCc1ccccc1[N+](=O)[O-] 774462881 PNDYPZOUPMSROV-UHFFFAOYSA-N 291.395 3.929 30 20 CHED O=C(O)c1cccc(NN=Cc2cc(Cl)cs2)c1 782110610 IUMDAJHTMOUBGI-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CCc1ccccc1CC(=O)OCc1ccc(CC#N)cc1 785831108 GTQJDVBCTBCPBR-UHFFFAOYSA-N 293.366 3.601 30 20 CHED CC[C@H](C#N)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786455199 CUDMHOKVQAORKE-VXGBXAGGSA-N 270.332 3.507 30 20 CHED N#Cc1cc(NC(=O)N2CCCCCCC2)c(F)cc1F 880716521 PUJBMPLZQXLGNE-UHFFFAOYSA-N 293.317 3.634 30 20 CHED C#CCC1(C(=O)N(CC)CCC(F)(F)F)CCCCC1 788436360 FSCZPDCIHZOYES-UHFFFAOYSA-N 289.341 3.761 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCCCc1cccc(F)c1 782450467 VQWYHIUKLFJQCH-KRWDZBQOSA-N 294.366 3.530 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1ccccc1C(C)C 1190265596 TUXDRSNMUSBQOP-UHFFFAOYSA-N 294.354 3.943 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc(Cl)c(Cl)c1O 790180845 BBTFHGLSAAWQSD-SSDOTTSWSA-N 275.179 3.811 30 20 CHED N#C[C@H]1CCCN(Cc2csc(Cl)c2Cl)C1 896502500 GTDUFHBIMJOYAL-MRVPVSSYSA-N 275.204 3.790 30 20 CHED Cc1cc(F)ccc1NN=C1CCC(=O)Nc2ccccc21 783857159 VJLLIPHGZCJUDD-UHFFFAOYSA-N 297.333 3.683 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCCc2nc(C#N)ccc21 892393815 HIHCJCAUHZFVAK-CQSZACIVSA-N 299.418 3.695 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccc(SC)cc1 782441350 UVFXEXXOPGOLMV-INIZCTEOSA-N 294.416 3.681 30 20 CHED Cc1ccc(-c2nc(Cc3ccccc3C)no2)cc1C#N 789755997 FQGWWBWUPMFQGN-UHFFFAOYSA-N 289.338 3.816 30 20 CHED CC(C)CC[C@H]1CCCC1=NOC[C@@H]1CCOC1 788034683 UCPNDNZUHBXQCV-ZIAGYGMSSA-N 253.386 3.632 30 20 CHED C=C1CC(c2noc(-c3cncc(C(F)(F)F)c3)n2)C1 896876407 GBNSHUYDVBWERL-UHFFFAOYSA-N 281.237 3.584 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1sccc1O 782350969 GNFKRPNYSQLFEX-DUXPYHPUSA-N 281.336 3.898 30 20 CHED CCCC(=NOC[C@H]1CCOC1)C1CCCCC1 788031777 YHQYNQLMRMYCNK-ZDUSSCGKSA-N 253.386 3.776 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 781185157 PYNQDPCXXKDYKR-WDEREUQCSA-N 295.404 3.606 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1csc(Cl)c1 786934304 JCZWVMLPHOUVCY-SECBINFHSA-N 277.780 3.519 30 20 CHED Cc1cc(F)ncc1CN(C)[C@@H](C)c1cccc(C#N)c1 895018425 PENXIPDHYSDCJF-ZDUSSCGKSA-N 283.350 3.594 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C[C@]2(C)CCCS2)o1 792994377 BIJFJJDQGOSPIB-AWEZNQCLSA-N 292.408 3.527 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1ccccc1Cl 80117069 OKSKGKZGMMHXDU-JTQLQIEISA-N 257.724 3.780 30 20 CHED Cc1ccc(CNc2c(F)cc(C#N)cc2F)cc1F 301104976 LGRYTVZXVVXKHP-UHFFFAOYSA-N 276.261 3.896 30 20 CHED CCC/C=C\C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799772980 VODUZGXIVSMTOG-PLNGDYQASA-N 298.264 3.752 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C1CCCCCC1 790306414 HYKTXFGHEDALTC-UHFFFAOYSA-N 265.288 3.856 30 20 CHED C=C1CC(c2noc(Cc3ccccc3SC)n2)C1 896883441 HTGOEKVMOIYYMC-UHFFFAOYSA-N 272.373 3.816 30 20 CHED CCc1cccc(C)c1NN=Cc1c[nH]c2ncccc12 799493961 XLRPMXWESWBXML-UHFFFAOYSA-N 278.359 3.880 30 20 CHED C=CCCN[C@H](C)c1ccc(F)c(Br)c1 168551966 TXLOAKGJHKMXNZ-SECBINFHSA-N 272.161 3.815 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H](F)CC2CCCCC2)C1 793515381 MUFPWHOKDSSKNB-FRFSOERESA-N 294.414 3.884 30 20 CHED CCC(CC)NN=Cc1ccc(OC)cc1Br 794909550 UAJBRHHXCXZQOR-UHFFFAOYSA-N 299.212 3.570 30 20 CHED CC(C)(CNCc1cccc(C#N)c1)C1CCCC1 513495951 XKTGTFKNOBBEEW-UHFFFAOYSA-N 256.393 3.864 30 20 CHED C#CCCCCNC(=O)c1c(Cl)cc(F)cc1Cl 277711480 RHSGRZJPGOGIBF-UHFFFAOYSA-N 288.149 3.666 30 20 CHED C[C@H](CC#N)N[C@H](C)c1cc(Cl)ccc1Cl 187526752 UOISECMVZGPXIU-RKDXNWHRSA-N 257.164 3.946 30 20 CHED C#C[C@@H](CCC)NC(=O)C(CC)(CC)c1ccccc1 791745419 KWIGUGCYHFIBGU-INIZCTEOSA-N 271.404 3.663 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc2occc2c1 794888764 SMRZCFDGWWCYOW-UHFFFAOYSA-N 280.283 3.577 30 20 CHED CCCCCCC[C@H](C)NCc1cccc(C(N)=O)c1 59416064 RFMLMBBQDFELKW-AWEZNQCLSA-N 276.424 3.624 30 20 CHED Cc1ccc(C#N)cc1NCc1cc2ccccc2n1C 1202715185 FXTAZIOEUQVJTG-UHFFFAOYSA-N 275.355 3.971 30 20 CHED Clc1ccc(OCC2CC2)c(C=NNC2CCCC2)c1 797403043 XNIXZNBLLMWWBP-UHFFFAOYSA-N 292.810 3.995 30 20 CHED Clc1cccc(NN=Cc2cscc2Cl)n1 793175302 SHJIKLLBYZWYSY-UHFFFAOYSA-N 272.160 3.896 30 20 CHED C#Cc1cccc(N(CC)Cc2csc(CC)n2)c1 728573649 TYUQWQAHMHDKED-UHFFFAOYSA-N 270.401 3.713 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(C)s1 798386452 RNVSVBKFQXZWQW-NWDGAFQWSA-N 266.410 3.771 30 20 CHED CCn1cc(C=NNc2ncccc2C)c2ccccc21 790185057 AEXVKJRYUDJTKC-UHFFFAOYSA-N 278.359 3.811 30 20 CHED C#C[C@@H](CCC)NC(=O)CCOc1ccc2ccccc2c1 791201836 OHJIRTPYIAOPQE-KRWDZBQOSA-N 295.382 3.527 30 20 CHED COc1ccccc1CON=C/C=C\c1ccccc1 799117923 OOUJIJFBSAFWRD-OIAJVEJOSA-N 267.328 3.911 30 20 CHED C#Cc1cccc(N(CC)CCc2scnc2C)c1 738311700 ISSJTFRIAKBGEF-UHFFFAOYSA-N 270.401 3.502 30 20 CHED CSc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1 92213093 LKKQORWAVLLMEE-UHFFFAOYSA-N 282.368 3.557 30 20 CHED Cc1csc2ncnc(NCCc3ccc(C#N)cc3)c12 1156830901 FHCKJNSYEUGDLC-UHFFFAOYSA-N 294.383 3.526 30 20 CHED CC(C)c1ocnc1COC(=O)CC1(C#N)CCCCC1 1327240176 XFXXJMDTJUBSPR-UHFFFAOYSA-N 290.363 3.705 30 20 CHED COc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1Br 1321355678 TVMFHJADQNJJNY-VHSXEESVSA-N 295.180 3.562 30 20 CHED Cc1c[nH]c2ccccc2c1=N[C@@H]1CCc2cc(C#N)ccc21 1321042463 GDKSWQVFHWTKGC-LJQANCHMSA-N 299.377 3.936 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H](C)c1ccccc1F 1321273992 UFYXQQXHQHKARM-GFCCVEGCSA-N 283.302 3.924 30 20 CHED CC[C@@H]1CC[C@@H](C)N(Cc2ccc(F)cc2C#N)C1 1659454284 WLYXKEIHYMPXMJ-CHWSQXEVSA-N 260.356 3.708 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1ccccc1Cl 1251155732 IREBZSPSKHUCCB-JTQLQIEISA-N 279.796 3.971 30 20 CHED CC(C)CN(CCC#N)Cc1ccc2c(c1)CCCC2 1652054326 ZCFHKMOJTBRJRV-UHFFFAOYSA-N 270.420 3.937 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1sccc1Cl 1339278856 ILDRGXOISOMNCC-JTQLQIEISA-N 269.797 3.972 30 20 CHED CC(C)(C)[C@@H](Nc1cc(C#N)cnn1)c1cccc(F)c1 1261653601 QNXXTUFVNBAOJJ-HNNXBMFYSA-N 284.338 3.687 30 20 CHED C=C(CC)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 1346666145 LYCNRSMUPCRCBR-UHFFFAOYSA-N 291.244 3.672 30 20 CHED CCCCC[C@H](C)CC(=O)OCc1ccc(C#N)cn1 1343738498 JBDAUFJEOIAPNB-ZDUSSCGKSA-N 274.364 3.603 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccc(C#N)o1 1264852400 WYDVUXQTBMZPTK-UMVBOHGHSA-N 288.391 3.589 30 20 CHED N#Cc1ccc(COC(=O)CC[C@@H]2CC2(Cl)Cl)cc1 1346803782 JNRASDAZPIRHQF-GFCCVEGCSA-N 298.169 3.575 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1ccc(SC)cc1 1340644677 ZAYYQUHMZQYRAD-GFCCVEGCSA-N 263.406 3.942 30 20 CHED C=C(CC(C)C)C(=O)N1CCC(=O)C[C@@H]1c1ccccc1 1352219502 KJEZAPLBBLPAFF-QGZVFWFLSA-N 285.387 3.522 30 20 CHED N#Cc1cc(=Nc2cccc(CCC(F)(F)F)c2)cc[nH]1 1458299998 WZRYKAJJUHQOGL-UHFFFAOYSA-N 291.276 3.614 30 20 CHED CSc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 110387490 LTBYAUANPQMKHX-UHFFFAOYSA-N 282.368 3.841 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCc3ccc(F)cc32)cc1C#N 1524315401 VKTLVQZTPVRJJS-KRWDZBQOSA-N 295.313 3.850 30 20 CHED CCC1(C)CN(Cc2cc(C#N)ccc2Br)C1 1462325390 CRWONZOUILAKIM-UHFFFAOYSA-N 293.208 3.553 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cccc(Cl)c1F 1530294470 WJMUBOBNCUSIEC-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCCC(=O)Nc1cc(C(=O)O)c2ccccc2c1 1602861052 YPQKOSQKSZYGSM-UHFFFAOYSA-N 283.327 3.833 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1535439253 FXLDRXVCURWPTO-ZYHUDNBSSA-N 292.329 3.991 30 20 CHED C=CCCCCCSCc1cccc(C(=O)O)n1 1602870775 UJRRLOVBSJGJOW-UHFFFAOYSA-N 265.378 3.759 30 20 CHED C=CCCCCCOc1ccc(-c2nn[nH]n2)c(Cl)c1 1602838455 YAHSDHYATWVEKY-UHFFFAOYSA-N 292.770 3.645 30 20 CHED COc1ccc(NC(=O)c2cccc(C3CC3)c2)cc1C#N 1532696295 JDBDMJCYNYQZMP-UHFFFAOYSA-N 292.338 3.697 30 20 CHED Cc1cc(S[C@@H]2CCOc3ccccc32)c(C#N)cn1 1612112276 JZLAKCCOVLZXAH-OAHLLOKOSA-N 282.368 3.878 30 20 CHED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cc(F)ccc1N(C)C 1474760074 GCSIJWXKFLBGFD-YDHLFZDLSA-N 289.398 3.625 30 20 CHED CCN(C(=O)c1cc2cccc(Cl)c2s1)[C@H](C)C#N 1542531712 PCXBCRYTGCBABE-SECBINFHSA-N 292.791 3.929 30 20 CHED Cc1nc(C#N)cc(N2CC[C@H](CC(C)(C)C)C2(C)C)n1 1559235898 NQXFQDSZEWLEFH-CYBMUJFWSA-N 286.423 3.698 30 20 CHED C[C@H]1C[C@@H](C)CN(CCSc2cccc(F)c2C#N)C1 1652860839 DBXLHDATRNADAD-BETUJISGSA-N 292.423 3.767 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1cccc(C(C)(C)C(=O)O)c1 1588682837 QZYHTMHPHPBAHB-KRWDZBQOSA-N 290.359 3.557 30 20 CHED Cn1c(C/N=C/c2cc(Cl)ccc2O)nc2ccccc21 5166007 OUTUDGYSABXCCW-GIJQJNRQSA-N 299.761 3.551 30 20 CHED CCCCCCC[C@H](C)CNc1nccnc1C(=O)O 1595704815 HVVSIURAZMPSQO-LBPRGKRZSA-N 279.384 3.583 30 20 CHED CO[C@H](CNCc1ccc(C#N)c(Cl)c1)C1CCCC1 1664435998 ZERFCXNDQSCHAA-MRXNPFEDSA-N 292.810 3.506 30 20 CHED Oc1ccccc1/C=N/CCc1c[nH]c2ccccc12 5287769 DODLZXFDTNUAMY-WOJGMQOQSA-N 264.328 3.535 30 20 CHED C=C(Cl)CNCc1ccc(OCCC(C)C)cc1 161001119 YTPHIXDZSQNKOE-UHFFFAOYSA-N 267.800 3.954 30 20 CHED C=C(C)CNC(=O)CCCc1csc2ccccc12 161121663 CSVCMKSRDVWIJT-UHFFFAOYSA-N 273.401 3.916 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)Nc1sccc1C#N 1672812191 BLWSNBMOMFGJEH-JQWIXIFHSA-N 277.393 3.568 30 20 CHED C[C@@H](NC(=O)NC[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 1676107686 BHWYOODJPPUQIM-CJNGLKHVSA-N 299.418 3.745 30 20 CHED CC[C@@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776062563 ZPBSSOPRCNISIW-SNVBAGLBSA-N 278.327 3.892 30 20 CHED C=Cc1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)cc1 1776194432 GPNZRDIAVMCHDW-FPLPWBNLSA-N 284.336 3.985 30 20 CHED C=CCCSCC(=O)c1cc(C)n([C@H](C)COC)c1C 151976557 RMFLYRIYQCGPNJ-CYBMUJFWSA-N 295.448 3.804 30 20 CHED COc1ccc(C#N)cc1COc1cccc2cccnc12 153639707 VYBOZSYBFJIQTN-UHFFFAOYSA-N 290.322 3.694 30 20 CHED N#Cc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1 159227234 JOWMRFVXLDXXQG-JDPPGYRCSA-N 298.361 3.805 30 20 CHED Clc1cccc(C#CCn2cnc(-c3ccccc3)n2)c1 159819810 NOTPQDDSYKLQQT-UHFFFAOYSA-N 293.757 3.650 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 127791510 HIZKBYAUMKETSI-JTQLQIEISA-N 287.344 3.571 30 20 CHED CC(C)(C)[C@H]1CCN(c2c(F)cc(C#N)cc2F)C1 128441828 URBJKADLWOSMCT-NSHDSACASA-N 264.319 3.709 30 20 CHED Cc1ccc(Cl)c(OCCOc2cccc(C#N)c2)c1 37139163 GTYYAFSGWAHXMB-UHFFFAOYSA-N 287.746 3.978 30 20 CHED COc1ccc(C#N)cc1CNc1c(C)cccc1F 164795071 NTRMYPHYJHRCLB-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@H]1CCCC[C@@H]1Nc1nc2c(cc1C#N)CCCC2 44298203 DMAUSKNKNRYZPF-WFASDCNBSA-N 269.392 3.823 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@@H]1Cc2ccccc2O1 52857370 GUPUEZFQCJMGKB-AWEZNQCLSA-N 284.746 3.627 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cnn(Cc2ccccc2)c1 180946523 AYPDLQIGKRSIMY-HUUCEWRRSA-N 269.392 3.547 30 20 CHED CC1(C)CN(c2nc(Cl)c(C#N)s2)[C@H]2CCC[C@H]21 294022193 KUBSXRNGKJTNCQ-BDAKNGLRSA-N 281.812 3.683 30 20 CHED N#Cc1ccc(NC(=O)CCCc2cccs2)cc1F 308074830 CWVSWPQAUSSIMT-UHFFFAOYSA-N 288.347 3.720 30 20 CHED C=C(C)CCN(C)Cc1cc(Br)cs1 404200505 PQPFIHAVWLWUPR-UHFFFAOYSA-N 274.227 3.909 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2cccc(C#N)c2)s1 76405099 MWFHXWMMFANANY-UHFFFAOYSA-N 285.372 3.592 30 20 CHED CCOc1ccc(Oc2ncc(C#N)cc2Cl)cc1 513601853 ANLKYTIXPQMBRW-UHFFFAOYSA-N 274.707 3.798 30 20 CHED Cc1ncsc1CNc1nc(C(C)(C)C)ccc1C#N 613420716 HCHWOETZVNENDR-UHFFFAOYSA-N 286.404 3.628 30 20 CHED CSCCCSCCCOc1ccc(C#N)cc1 320331724 IKSRRYXNWSMFTR-UHFFFAOYSA-N 281.446 3.813 30 20 CHED CCSc1cccc(NC(=O)C2(C#N)CC(C)C2)c1 532323683 URRMCECANGPSIV-UHFFFAOYSA-N 274.389 3.677 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 88191345 VZIGEIZKCYOWFB-SKDRFNHKSA-N 284.281 3.556 30 20 CHED C#CCN(CCCCC(F)(F)F)Cc1ccccc1 796642028 WBUBRNJBUHQYJX-UHFFFAOYSA-N 269.310 3.854 30 20 CHED C=CC(C)(C)CNCc1ccc(N2CCCC2)cc1 395519919 VQNUTSVYMWQTLD-UHFFFAOYSA-N 258.409 3.589 30 20 CHED C=CCN(CC[C@@H](C)OCc1ccccc1)C(C)C 789310885 WQYFDKVQMGLHFX-MRXNPFEDSA-N 261.409 3.878 30 20 CHED C=CCNC(=O)c1oc2c(ccc3ccccc32)c1C 7949277 IOSNTNZPVAPAPC-UHFFFAOYSA-N 265.312 3.810 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC[C@@H]1C 105308336 ABYHPAIPABKVCM-XJKSGUPXSA-N 290.382 3.712 30 20 CHED C=CCNc1nc(-c2cccc(N3CCCC3=O)c2)cs1 8296814 AQRXDXVNACGZDA-UHFFFAOYSA-N 299.399 3.535 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@@H](C#N)c1ccccc1F 108799592 SKYFXCSDGJOQMH-WFASDCNBSA-N 276.355 3.579 30 20 CHED C=C1CCN(Cc2csc(C3CCCC3)n2)CC1 342000178 JWGUWUWVWMGSAK-UHFFFAOYSA-N 262.422 3.953 30 20 CHED CN(CCCC(C)(C)C#N)[C@@H]1CCCN(c2ccccc2)C1 177792392 VXQLBLDAYHWRIQ-GOSISDBHSA-N 299.462 3.917 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCCO1 102670116 OZOJZLGCPJAVPO-NSHDSACASA-N 271.813 3.569 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)nc1 107577345 VWZOMJHTAKIIEY-INIZCTEOSA-N 297.402 3.528 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)s1 171981740 VOEGXJINUJIMNL-FNORWQNLSA-N 274.389 3.984 30 20 CHED CC(C)CN(CCOc1ccccc1C#N)C1CCCC1 110364066 RCZLJVZQNBHCMU-UHFFFAOYSA-N 286.419 3.838 30 20 CHED CC(C)CCN(CCC#N)Cc1nc2ccc(F)cc2o1 119416273 UCHKQPGPCDLPGH-UHFFFAOYSA-N 289.354 3.729 30 20 CHED C=CC[C@@H](C)NC(=O)c1sc(-c2ccc(C)o2)nc1C 116853923 MFWDLFMIFORHGG-SECBINFHSA-N 290.388 3.714 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1c1ccccc1Cl 174099609 QJHZURGEIDXLCF-HNNXBMFYSA-N 290.794 3.600 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(C)nn(-c2ccccc2)c1C 116931809 UGTBDYRGPUWEAY-LBPRGKRZSA-N 298.390 3.575 30 20 CHED CCSc1ccc(C(=O)Nc2ccc(CC#N)cc2)cn1 68651864 ZGPQSNMCVQRGJZ-UHFFFAOYSA-N 297.383 3.512 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC2CCOCC2)cc1 119064183 XSNYDOOIUTWZHE-CYBMUJFWSA-N 295.810 3.648 30 20 CHED N#C[C@H](C(=O)CC1CCCCCC1)C(=O)Nc1ccccc1 175106917 XNAJYRRSPSVGIM-MRXNPFEDSA-N 298.386 3.694 30 20 CHED CC(C)Oc1ccc([C@H](C)NC[C@@H](C#N)CCC#N)cc1 171977921 WVRUYGWXZGFFTC-LSDHHAIUSA-N 285.391 3.568 30 20 CHED CC(C)[C@H](C)CC(=O)N[C@@H](C#N)c1ccccc1Cl 172032646 KHIHBCXVJQUUHB-RISCZKNCSA-N 278.783 3.703 30 20 CHED C=CCCCC(=O)OCc1csc(-c2ccccn2)n1 174913732 IXWPGKXHUKSYAQ-UHFFFAOYSA-N 288.372 3.605 30 20 CHED CCN(C(=O)CCc1ccoc1)[C@H](C)c1ccc(C#N)cc1 177114839 DSJLAMDYMCAQSF-CQSZACIVSA-N 296.370 3.694 30 20 CHED C=C(C)CN1CCC(c2cc3ccccc3[nH]2)CC1 65966667 CDLOVCTXKZJSJM-UHFFFAOYSA-N 254.377 3.923 30 20 CHED N#Cc1cc2c(nc1N1CCC3(CCCC3)C1)CCCC2 301866988 GFJGGTGPABAHOQ-UHFFFAOYSA-N 281.403 3.603 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](CC)c1cccc(Cl)c1 69343551 UTYLVRIDFSUUFV-SWLSCSKDSA-N 295.810 3.889 30 20 CHED CC(C)CS[C@@H](C)C(=O)N(CCC#N)c1ccccc1 69050239 IDZRQSRULJMKKR-AWEZNQCLSA-N 290.432 3.711 30 20 CHED CC1(C)CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1 177902143 XYERZTKRTCSIMP-UHFFFAOYSA-N 289.354 3.741 30 20 CHED Cc1cccc2c1[C@@H](OC(=O)c1csc(C#N)c1)CCO2 1348218419 RLSQQIGHDYFPRG-AWEZNQCLSA-N 299.351 3.609 30 20 CHED N#Cc1ccnc(N[C@@H]2CCCc3sccc32)c1 61364343 FOXXUSCSMRTLBD-GFCCVEGCSA-N 255.346 3.504 30 20 CHED CC1(C)CC=C(C(=O)[C@H](C#N)c2cccc(F)n2)CC1 1342617003 AMCIKEQFNOGDIW-GFCCVEGCSA-N 272.323 3.533 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)c1ccc(Cl)s1 1340891980 LFFIWLMCUOHHGC-NXEZZACHSA-N 284.812 3.656 30 20 CHED C=CCCCN(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 125747697 CXTSISIPMBJAJU-IAGOWNOFSA-N 286.419 3.930 30 20 CHED N#Cc1c(F)cccc1Nc1cnn(-c2ccccc2F)c1 301620502 XPWRECPFJNDCQN-UHFFFAOYSA-N 296.280 3.766 30 20 CHED CCC[C@H](C(=O)Nc1ccccc1O[C@H](C)C#N)C(C)C 182059270 GFWLZCOSAHSRHQ-KGLIPLIRSA-N 288.391 3.988 30 20 CHED C=CCCCC(=O)NCc1ccccc1N1CCCCC1 183155524 IPWJIUCMRGXFCA-UHFFFAOYSA-N 286.419 3.649 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 79540696 XWCHADRWULIQTJ-SJORKVTESA-N 299.418 3.668 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccc(O)cc1 213738198 QOARLGICTSEREO-TWGQIWQCSA-N 268.312 3.605 30 20 CHED Cc1ccccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 75950980 AAPKUHDHCUVXJS-CYBMUJFWSA-N 279.343 3.749 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CC=CCC1)c1ccccc1 188133784 PVLQGAAGSGRPMN-CVEARBPZSA-N 255.361 3.571 30 20 CHED C=C(CNC(=O)N[C@H]1CCC(C)(C)C1)c1ccccc1 500916040 PMXBOPVCIPHUGG-HNNXBMFYSA-N 272.392 3.578 30 20 CHED C=C(C)COC(=O)COc1ccccc1[C@H](C)CC 218018773 FMIUFWNHJCIRAA-CYBMUJFWSA-N 262.349 3.698 30 20 CHED COc1ccsc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 184771889 KBHUUKBBWLSCTJ-AATRIKPKSA-N 289.312 3.561 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cc(F)ccc2C#N)n1 129962162 DVGYDXYVTMPXIY-UHFFFAOYSA-N 297.358 3.873 30 20 CHED Cc1cccc(C2=CCN(c3nc(C)ccc3C#N)CC2)c1 181263194 AFLRIPSFDQNMPF-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C[C@H]1CCCN(C(C)(C)CN[C@@H](C)c2ccc(C#N)cc2)C1 181557606 UZKUSMSEWKCOCV-HOTGVXAUSA-N 299.462 3.719 30 20 CHED C=CCC1(C(=O)N(C)c2ncccc2F)CCCCC1 410597922 MLNQZWPOJACFDZ-UHFFFAOYSA-N 276.355 3.710 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cccc(C)c1Cl 410125118 YWABMCSGKVNEKQ-ZDUSSCGKSA-N 265.784 3.662 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 186106238 MOPBAYZCXIRCDK-JTQLQIEISA-N 266.287 3.619 30 20 CHED C=CCSCCNC(=O)Nc1cccc(C)c1Cl 72579689 OERHSOGVOPDFHK-UHFFFAOYSA-N 284.812 3.689 30 20 CHED C#CCC(C)(C)COC(=O)CCc1c[nH]c2ccccc12 180357660 TXCCDWZKCVNCHY-UHFFFAOYSA-N 283.371 3.693 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1cc(C)cc(C)c1 73624461 AZVVRXPLMAVYFO-OAHLLOKOSA-N 274.408 3.528 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1sccc1C#N 128008884 KRJHOCJQQMIXCS-UHFFFAOYSA-N 299.351 3.576 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@H](CC)c1cccs1 185242835 MAZAPTUPAPNXPS-VXGBXAGGSA-N 251.395 3.918 30 20 CHED C=C(CC)COc1ccc(Br)c(C=O)c1 128684515 UCOYCCXMRADGEU-UHFFFAOYSA-N 269.138 3.607 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2C[C@@H]2C2CC2)CC1 187284257 KCCKVWCADCOXRI-DGSCNEQVSA-N 288.435 3.647 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc(C(C)C)s1 182590501 ORISQXMWMUMXHM-LLVKDONJSA-N 266.410 3.741 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccccc1Cl 189840060 UGFDJSWACJZGQB-HNNXBMFYSA-N 265.784 3.901 30 20 CHED N#Cc1cccc(OCCOc2cnc3ccccc3c2)c1 187911401 UNUMHYKAQFDHRI-UHFFFAOYSA-N 290.322 3.564 30 20 CHED C[C@@H](CC#N)NC(=O)CCCc1ccc2ccccc2c1 180099064 HSDCIVXFQJUHJG-AWEZNQCLSA-N 280.371 3.581 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H](C)Cc1ccccc1Cl 131179465 UGBQWDUWZORXPB-CHWSQXEVSA-N 292.810 3.527 30 20 CHED N#CN(CCC1(C#N)CCCCC1)c1cccc(F)c1 418979947 DFYGFHUAWAODSZ-UHFFFAOYSA-N 271.339 3.977 30 20 CHED Cc1cc(N2CCC[C@](C)(C#N)C2)c2ccccc2n1 612107591 HICNVJVFLWZVGY-QGZVFWFLSA-N 265.360 3.673 30 20 CHED CCC1CCC(CNc2nnc(C)c(C)c2C#N)CC1 44368472 BLNRMQSPDGNPQK-UHFFFAOYSA-N 272.396 3.593 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@H](C)c1c[nH]c2ccccc12 410836489 RVBIGKOZYKRYAU-UONOGXRCSA-N 297.402 3.812 30 20 CHED CC[C@H](COc1ccc(C#N)c2ccccc12)OC 419059348 XOQQSAXROPVLJX-CYBMUJFWSA-N 255.317 3.515 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(NC(C)=O)cc1Cl 135051694 YFTRQGUSYVWEEQ-OAHLLOKOSA-N 294.782 3.839 30 20 CHED Cc1noc(CSCc2ccccc2C(C)(C)C#N)n1 133912201 HPZKVOXCBXPULF-UHFFFAOYSA-N 287.388 3.613 30 20 CHED CC[C@@H]1C[C@@]1(NCC1(C#N)CC1)c1cccc(C)c1 502484552 YDFGQYUUXIRQTL-PBHICJAKSA-N 254.377 3.514 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(-c2ccccc2Cl)on1 419209334 BFTOFYWOPCDNPM-NSHDSACASA-N 289.766 3.729 30 20 CHED Cc1cccc(C2(NCc3cc(C#N)n(C)c3)CCCC2)c1 190941304 CDYPPKCOIIFIAC-UHFFFAOYSA-N 293.414 3.764 30 20 CHED C[C@@]1(C#N)CCCN(Cc2coc3ccccc23)C1 612405633 BNWSJIPJSKMSIE-INIZCTEOSA-N 254.333 3.558 30 20 CHED N#Cc1nc(NC[C@H]2[C@H]3c4ccccc4C[C@H]32)ccc1Cl 132390567 YCRMQZQLAQXJCV-AHIWAGSCSA-N 295.773 3.604 30 20 CHED COCc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1 193410680 RAEXQYNHUPYOHK-CQSZACIVSA-N 296.370 3.908 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(Cl)s1 424569337 CRQRLJHWXIDSSW-UHFFFAOYSA-N 257.786 3.620 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2cc(F)cc(F)c2)no1 424339787 RBUBLASBTVGUIZ-UHFFFAOYSA-N 278.302 3.792 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3ccc(OC)cc3)C2)CCC1 190873381 NWPAJSGGWBAZFT-INIZCTEOSA-N 299.414 3.758 30 20 CHED COc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2)c1F 195502893 JCNQAPHNGGKNMK-BQYQJAHWSA-N 288.322 3.508 30 20 CHED Cc1ccc(OCCCNCc2ccc(C#N)c(F)c2)cc1 421325872 MKRNGCWDIHKDDN-UHFFFAOYSA-N 298.361 3.565 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc(C(=O)O)c1)c1ccccc1 190873788 VFBQZQFQEXKCBL-ZDUSSCGKSA-N 295.338 3.683 30 20 CHED N#Cc1ccccc1NC(=O)c1cc(Cl)cs1 82338404 QBUFYDGLMUDFKH-UHFFFAOYSA-N 262.721 3.525 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)cc2)ccc1F 610583443 JBFQJJWZWXKCBR-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(C)cc1C 191018517 UTSRKLNSQVJEBZ-KRWDZBQOSA-N 259.393 3.564 30 20 CHED N#C[C@@H](C(=O)C1(c2ccccc2)CCCC1)c1ccccn1 193388467 YCAZLFXFHHJMSV-MRXNPFEDSA-N 290.366 3.770 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(OC(F)F)c1 426457660 YRDSCLKXDWBXSA-OCCSQVGLSA-N 292.329 3.534 30 20 CHED N#Cc1c(N[C@@H]2CCCc3sccc32)ncc2c1CCC2 425245659 UVGBOAOGPPARTP-OAHLLOKOSA-N 295.411 3.993 30 20 CHED CC[C@@H]1C[C@@]1(NC(=O)c1ccc(C#N)o1)c1cccc(C)c1 512925889 PREATMVRKLKGRZ-ACJLOTCBSA-N 294.354 3.515 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CC1CCCCC1 330590261 PZGZIEWYGQZGMJ-UHFFFAOYSA-N 271.364 3.509 30 20 CHED Cn1cc(CCN[C@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc21 193299475 HPTYFIOMTGZTMW-CJNGLKHVSA-N 299.393 3.532 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2)cc1C#N 88305093 AOWZZPIWWDERHI-DUXPYHPUSA-N 299.276 3.741 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 424120577 HHHUVISEVJDCJE-PSOPSSQASA-N 260.768 3.609 30 20 CHED C[C@@H](Cc1nnc(SCCCC#N)o1)c1ccccc1 97603463 LTVQVZKGBULWSZ-LBPRGKRZSA-N 287.388 3.812 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C(=O)OC)c1ccc(F)c(C)c1 428377382 XNKURERGTQKENI-GDBMZVCRSA-N 293.382 3.683 30 20 CHED C=CCCCCCSc1nnc(-c2ccncc2)o1 195416325 KLZMTLAWZKPQCF-UHFFFAOYSA-N 275.377 3.970 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 330569659 HZIJDBXSJKWYAL-OSAQELSMSA-N 290.794 3.847 30 20 CHED C[C@@H]1CCCC[C@H]1OCCNc1cccc(F)c1C#N 515550422 KTYCCCBWYGKDIE-MLGOLLRUSA-N 276.355 3.705 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1 429752875 PTAGCXHQYDIVSM-UKRRQHHQSA-N 288.391 3.904 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2cc(C#N)cs2)C1 93868984 FZJLELLDMJCZJK-OLZOCXBDSA-N 280.462 3.726 30 20 CHED Cc1cc([C@H](C)Nc2ccc(C#N)nc2)c(C)s1 149351679 YQOFIHVKWARJPY-JTQLQIEISA-N 257.362 3.805 30 20 CHED CC(C)N(Cc1ccc(N(C)CCC#N)cc1)CC(F)F 92045281 CDXYUNRDRZHENI-UHFFFAOYSA-N 295.377 3.512 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1CCC(C)C 337906029 VAGLJSNWJDPYKK-MRXNPFEDSA-N 284.403 3.908 30 20 CHED N#Cc1cccc(NC(=O)N2CCC[C@H]2C2CCCCC2)n1 516768189 LOAHBCZGTUEQPG-HNNXBMFYSA-N 298.390 3.530 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2ccc(OC)cc2s1 431673768 PNSMDALUVQWLEI-UHFFFAOYSA-N 290.388 3.846 30 20 CHED CC(C)OCCC(=O)Nc1cc(C(C)(C)C)sc1C#N 91208967 HRVYBJVZDVWIRF-UHFFFAOYSA-N 294.420 3.671 30 20 CHED C[C@H](Sc1ccccc1)C(=O)N(C)c1ccccc1C#N 337853923 KNSMLGOCHRQMPC-ZDUSSCGKSA-N 296.395 3.702 30 20 CHED N#CCCCC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 335862414 HLRSVEDBSHTHNK-UHFFFAOYSA-N 297.185 3.572 30 20 CHED CC[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 336466305 WCTSNVIGSUJNDH-HNNXBMFYSA-N 270.376 3.502 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1cc(C#N)cs1 437553429 DYPBPGFKJDIHNV-YPMHNXCESA-N 276.405 3.566 30 20 CHED CC[C@@H](NC1CC(C(F)(F)F)C1)c1ccc(C#N)cc1 348705609 STDCMHCQRWRBTO-JXQTWKCFSA-N 282.309 3.940 30 20 CHED CC(=O)Nc1ccc([C@H](C)NCC(C)(C)CCC#N)cc1 348242350 JBQIRPOGZMBXJM-ZDUSSCGKSA-N 287.407 3.626 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1cc(C#N)cc(C)n1 341750967 KLGRAVFZDSRJNX-MRXNPFEDSA-N 263.344 3.670 30 20 CHED COc1ccc(C[C@H](C)CNc2nc(C)ccc2C#N)cc1 346675285 ROHKFIWYOJHTGG-ZDUSSCGKSA-N 295.386 3.561 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)CCc2ccco2)c1C#N 343504550 GXDRUUYLSLHELB-JTQLQIEISA-N 289.766 3.941 30 20 CHED COc1c(CNc2cc(C)nc(C#N)c2)oc2ccccc12 343215941 OIVVGCDSTVKURI-UHFFFAOYSA-N 293.326 3.629 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@@H](c1ccccc1)C(C)C 609129397 FUYAJJZBYAWNEV-HZPDHXFCSA-N 272.392 3.625 30 20 CHED N#CCCCCN[C@@H](c1ccc(F)cc1)c1ccccn1 346550057 DAWUDGMMMSOEPB-KRWDZBQOSA-N 283.350 3.594 30 20 CHED CCOc1ccc(C=NOCc2cccc(Cl)n2)cc1 255373736 GYLPUYGIBLQLQG-UHFFFAOYSA-N 290.750 3.684 30 20 CHED CC(C)(CCC#N)CNCc1cccc2c1OC(C)(C)C2 342282306 PHEGCBXDPSLQRU-UHFFFAOYSA-N 286.419 3.820 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2ccccc2CC1 525949100 BXLIJVHKVPMIHL-OAHLLOKOSA-N 276.383 3.720 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c(C)o1 345367724 FHUAVLWJDOWWRZ-ZDUSSCGKSA-N 293.326 3.571 30 20 CHED N#Cc1ccnc(N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1 343044275 HGQHTBYRJTZNAQ-ZIAGYGMSSA-N 269.735 3.575 30 20 CHED C=C(C)CN[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 342554235 AQEPMZPUUPACFN-INIZCTEOSA-N 275.392 3.544 30 20 CHED C[C@@H]1CCN(Cc2ccccc2C#N)[C@H]2CCCC[C@H]21 603847441 UZTPQHRANPIHBM-JLSDUUJJSA-N 268.404 3.959 30 20 CHED C=CC[C@H](CO)CN[C@H](C)CC(C)(C)c1ccccc1 540604971 BFJSBYIHXCMSKI-CVEARBPZSA-N 275.436 3.517 30 20 CHED C=CC[C@H]1N(C(=O)c2c(CC)noc2C)CCCC1(C)C 443853248 AEHYOWHZRGGBJC-CQSZACIVSA-N 290.407 3.752 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCCC1=CCCCCC1 602611262 KTIGPJKMVDSNAC-INIZCTEOSA-N 290.451 3.956 30 20 CHED N#Cc1ccsc1C(=O)NCc1csc2ccccc12 353605023 PPSCEFRIPVUDKK-UHFFFAOYSA-N 298.392 3.764 30 20 CHED C=C(C)CCc1noc(-c2ccc(-n3nccc3C)cc2)n1 351623454 INBYCLIXDJZXEW-UHFFFAOYSA-N 294.358 3.739 30 20 CHED Cc1ccc(-c2ccsc2C(=O)NC[C@@H](C)C#N)cc1 609491940 JKQYVJYTOYMMAO-LBPRGKRZSA-N 284.384 3.613 30 20 CHED COc1ccc2c(c1)CCCN(c1ccc(C#N)cc1F)C2 609132906 SBGUUJSUDFVWIW-UHFFFAOYSA-N 296.345 3.659 30 20 CHED Cc1cc(CNCCO[C@@H]2CCCC[C@H]2C)ccc1C#N 443969134 RKOGCDYBSYHAHY-RDTXWAMCSA-N 286.419 3.552 30 20 CHED Cc1ccc(C[C@@H](C)NC[C@@H](C)CCC#N)s1 602556331 KSVBJVRCJNGJIQ-NWDGAFQWSA-N 250.411 3.517 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1c1ccc(Cl)c(C#N)n1 609675046 PWDVRBUKLZUNPU-JSGCOSHPSA-N 297.789 3.989 30 20 CHED Cc1ccccc1OCCCN(C)C[C@H](C)CCC#N 602447436 GIBMJDVOPOUPNQ-OAHLLOKOSA-N 274.408 3.636 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1cncc(F)c1 530368852 RTYUQDZYNCNMSL-UHFFFAOYSA-N 287.334 3.845 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@@H]1CCCC[C@@H]1C 449302792 WBWZQQRNHSLBKS-UTSKFRMZSA-N 265.441 3.772 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 448723503 IBBXJSSAAQSDMM-OIISXLGYSA-N 284.403 3.578 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cccc(-c2ccoc2)c1 611181339 HNRJOEWRPYTWKM-INIZCTEOSA-N 282.343 3.615 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](CC)COCC(F)(F)F 449379841 KHXPHFKYZBZMRA-SRVKXCTJSA-N 267.335 3.534 30 20 CHED Cc1ccc(CN(C)C(=O)NCC(C)(C)CCC#N)s1 358678086 DIDORVGGNHPWBT-UHFFFAOYSA-N 293.436 3.528 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cc2ccccc2o1 539388179 JWPCYCRXWKSNAL-ZDUSSCGKSA-N 286.375 3.977 30 20 CHED COc1ccc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)cc1C#N 533539381 QTGXNCMAZJFCJO-FRFSOERESA-N 284.403 3.720 30 20 CHED Cc1cc(CNCCCN(C)C2CCCCC2)ccc1C#N 443986686 LJRZHBXOEOUKQS-UHFFFAOYSA-N 299.462 3.611 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1CCC[C@@H]1C)c1ccccc1 534628770 RADOKIGZJZOHDM-ZMSDIMECSA-N 271.404 3.899 30 20 CHED N#Cc1ccc(OCCSc2ccc(C#N)cc2F)cc1 610165772 OHDMLMWOXXLKSR-UHFFFAOYSA-N 298.342 3.740 30 20 CHED C=CCCCCNC(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F 446292772 KDCOHEUYUOPLOM-QWRGUYRKSA-N 280.334 3.619 30 20 CHED N#Cc1cc(C(=O)N2CCCc3ccccc32)ccc1Cl 537167422 JWVSWDQGVJTVRS-UHFFFAOYSA-N 296.757 3.805 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N 610280323 LEFPKOSJESGXHM-IAGOWNOFSA-N 293.326 3.609 30 20 CHED COc1ccc2cc(CN3CCC[C@](C)(C#N)C3)ccc2c1 612406762 SOJXPPTWNYUTBW-LJQANCHMSA-N 294.398 3.974 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cccc(C(C)C)n1 352589503 KBPHQUVGDCAAKV-UHFFFAOYSA-N 298.386 3.669 30 20 CHED Cc1ncc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 618802875 MEGHJHKDZJPQKT-MEBBXXQBSA-N 283.400 3.661 30 20 CHED C=CC[C@@H](CC)NC1CCN(C2CCCCC2)CC1 367084575 BEECNJYXPFWUFR-OAHLLOKOSA-N 264.457 3.728 30 20 CHED N#CCCN(Cc1cccnc1)C[C@H]1C[C@@H]1c1ccccc1 361308550 AJPHCGBAAWJEHY-RTBURBONSA-N 291.398 3.601 30 20 CHED N#CC1(CN2C[C@H]3CCCCN3c3ccccc32)CCC1 451071456 AICYXXHFKIXXLC-OAHLLOKOSA-N 281.403 3.559 30 20 CHED C=C(CC)CSCC(=O)Nc1cc(C)ccc1C 539094823 QMCYJNJGWNRYIS-UHFFFAOYSA-N 263.406 3.941 30 20 CHED Cc1cc2sc(C(=O)NCCCC#N)c(C)c2cc1C 362737714 QRGSLWAPSAMQIQ-UHFFFAOYSA-N 286.400 3.860 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc([C@H]2CCCc3ccccc32)no1 453047952 NJLPECWFHOKWLZ-XHSDSOJGSA-N 296.370 3.596 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](CC)C(F)F)c1ccccc1 452251868 UPOWYFRCWKFZGC-AAEUAGOBSA-N 267.319 3.506 30 20 CHED CC1(c2cccc(Cl)c2)CCN(CCC#N)CC1 361540556 JJNJZROQHUGQAJ-UHFFFAOYSA-N 262.784 3.607 30 20 CHED C[C@@H]1C[C@H](CC(=O)NCC(C)(C)C#N)CC(C)(C)C1 611695073 KUDODIOMLTWNPV-CHWSQXEVSA-N 264.413 3.505 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ncnc2sccc12 618622451 TXDIYWFZMPBLKW-CQSZACIVSA-N 292.367 3.662 30 20 CHED CCC[C@H](NC(=O)NCC(C)(C)CC#N)c1ccccc1 457481625 FFWRURUDJMUZIH-HNNXBMFYSA-N 287.407 3.767 30 20 CHED CCC[C@H](NC(=O)CCc1ccc(C#N)cc1)C(C)(C)C 452656438 AHZQJQWPNKNBET-INIZCTEOSA-N 286.419 3.822 30 20 CHED N#Cc1cnc2c(F)ccc(F)c2c1N1C[C@@H]2CCC[C@H]2C1 610685369 CGDNCBLJEIBUEQ-QWRGUYRKSA-N 299.324 3.621 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@@H](c2ccccc2F)C1 549578253 UIXWONFRUGJOPL-GFCCVEGCSA-N 284.309 3.830 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccccc1CC 549274482 VCTVINLYMZEYFL-BHYGNILZSA-N 271.404 3.823 30 20 CHED COCC1(CCNc2cccc(Cl)c2C#N)CCC1 450544271 NKEUCVXHQJLYAQ-UHFFFAOYSA-N 278.783 3.830 30 20 CHED C=CCC1(C(=O)NCC2(CC)CCOCC2)CCCCC1 450010582 RAOPZJWBTOUSCC-UHFFFAOYSA-N 293.451 3.836 30 20 CHED C=C1CCN(C(=O)CCCOc2ccc3c(c2)CCC3)CC1 360745481 MBKKCZVUYVAXKR-UHFFFAOYSA-N 299.414 3.513 30 20 CHED CSc1cccc(NCc2cc(C#N)n(C)c2)c1C 276600459 GLEGMQGJQBGIQY-UHFFFAOYSA-N 271.389 3.539 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)NCC(C)(C)CC#N 458721269 NZIGDOZPXLZLIG-CYBMUJFWSA-N 279.428 3.584 30 20 CHED CCOCc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 450004439 QZZYPISBAZWQKT-SFHVURJKSA-N 298.386 3.636 30 20 CHED C=CCCN(C)C(=O)c1coc2cc(C)c(C)cc12 276390985 MUKSAVWHYNIHGO-UHFFFAOYSA-N 257.333 3.698 30 20 CHED CCC[C@H](NC(=O)c1cccc(CC#N)c1)C1CCCC1 458352300 ZARJFGOJFSCOBL-KRWDZBQOSA-N 284.403 3.841 30 20 CHED N#CCCCNCc1ccc(-c2ccccc2F)s1 273024865 FDNFTGLNTGFLIY-UHFFFAOYSA-N 274.364 3.948 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccn(C(CC)CC)n1 540531303 UAISBUZIYXBSGA-CYBMUJFWSA-N 277.412 3.719 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 456121284 XCQVIMFUTHBRQO-MNOVXSKESA-N 277.330 3.684 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)NCC(C)(C)CC#N 459512866 KCPKHLOQGYOVIG-UHFFFAOYSA-N 284.363 3.538 30 20 CHED C=CCC1(C(=O)Nc2cc(C(C)=O)ccc2O)CCCC1 450443986 WIIFXPPLNZDDSE-UHFFFAOYSA-N 287.359 3.670 30 20 CHED C=C(CNC(=O)C1=CC[C@H](C)CC1)c1ccccc1 456054929 SBQLFCBYZRFRSL-ZDUSSCGKSA-N 255.361 3.562 30 20 CHED Cc1c(Cl)cnc(N(CC2CC2)CC2CC2)c1C#N 541352190 MODKGMQRCWVRQY-UHFFFAOYSA-N 275.783 3.542 30 20 CHED C=CCN(C(=O)Cc1ccc(OC(F)F)cc1)C(C)(C)C 622943243 UMMQYPKOGVMYHG-UHFFFAOYSA-N 297.345 3.644 30 20 CHED C#CCCCCC(=O)N1CC[C@H](c2cccc(C)c2)C1 273345368 RHKACBLWAGBUMA-KRWDZBQOSA-N 269.388 3.505 30 20 CHED C/C(=C\C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1 274361490 TZMRGOJIEXQQNF-HVJHFUJKSA-N 270.376 3.534 30 20 CHED C=C(C)Cn1c(N(C)Cc2ccccc2)nnc1C(C)(C)C 549248582 UDBMPNJWZYNKAP-UHFFFAOYSA-N 298.434 3.788 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1Cc1cccc(C#N)c1 464730048 CXDLFUUGQGMSAS-WMLDXEAASA-N 256.393 3.959 30 20 CHED CC#CCCNC(=O)C1(c2cccc(F)c2)CCCCC1 541748208 XAKXLWVBSSTZNI-UHFFFAOYSA-N 287.378 3.557 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)CCC1CC1 469786954 QXRQFBDFQNATHR-ZDUSSCGKSA-N 273.376 3.560 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC)OC1CCCCC1 466526003 ANFBXFZVPQDMAS-ZFWWWQNUSA-N 267.413 3.585 30 20 CHED COC(=O)c1cc(N[C@H]2CCC[C@@H](C#N)C2)cc(C)c1C 463239718 AEKCOLBZVZZSAF-KGLIPLIRSA-N 286.375 3.584 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 467407369 XAOPLFDJXHJJAK-TZMCWYRMSA-N 286.419 3.922 30 20 CHED N#C[C@@H]1N(CCCc2ccccc2)CCC[C@@]12CCCCO2 375693699 RBKTYWBEAWYOLY-OALUTQOASA-N 298.430 3.546 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(Nc2ccccc2)c1 465150549 WFGGZFIHHUQGFG-CYBMUJFWSA-N 266.344 3.735 30 20 CHED C=CCC(C)(C)c1noc(Cc2c(F)cccc2C#N)n1 556348139 WWULFEVRYZTJBI-UHFFFAOYSA-N 285.322 3.525 30 20 CHED C=CCOc1cccc(CN[C@H]2[C@@H]3c4ccccc4C[C@H]32)c1 554880312 FLLWPKMGRPNETE-VAMGGRTRSA-N 291.394 3.679 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N(C)CC3CCC3)c2c1 462839646 OGFJVIMPDNFFAC-UHFFFAOYSA-N 279.387 3.960 30 20 CHED C=CCCCCSc1nc(C)nc(C)c1C(C)=O 556235118 FHRJZROQCNHJFB-UHFFFAOYSA-N 264.394 3.744 30 20 CHED C=CCCC(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 462576007 KZUDBIVUDBXMBT-SUMWQHHRSA-N 257.377 3.783 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1ccc2c(C)cc(=O)oc2c1 288616263 JCOUCFPTKYOAQW-GOSISDBHSA-N 299.370 3.667 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NC1(C#N)CC1 552019755 RCMMXQOEWWILCO-UUCFBXCCSA-N 288.435 3.791 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(Oc2ccccc2)c1 465103580 PYILIIWHENFYGH-ZDUSSCGKSA-N 267.328 3.783 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)cn2)n1 551536060 OWXTVSRGRYFZSP-CHWSQXEVSA-N 282.347 3.687 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](CC)c1ccc(F)cn1)OCC 285778341 JYCGJFUJAIWYCA-LSDHHAIUSA-N 295.354 3.586 30 20 CHED N#Cc1ccccc1SCc1ccc([N+](=O)[O-])cc1F 476503034 ASFBRJYXPRCBOH-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccc(Cl)s1 472846658 IGWQEJLSKSZJOS-UHFFFAOYSA-N 286.828 3.899 30 20 CHED C=CCCN(C)C(=O)c1cc2cc(C)ccc2s1 290802890 TWTNLBLPUSYLAZ-UHFFFAOYSA-N 259.374 3.858 30 20 CHED C=CCCCC(=O)Nc1cccc(OCC(=C)C)c1 479677666 ZCFJVUXQURVZIZ-UHFFFAOYSA-N 259.349 3.936 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1cccc(N2CCCC2)c1 298739054 BVEDWIAXNXICAC-CABCVRRESA-N 271.408 3.630 30 20 CHED C#Cc1ccc(CNc2ccc(OC)c3cccnc23)cc1 809644858 XSBWLRKXRONJOI-UHFFFAOYSA-N 288.350 3.837 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1sccc1C1CC1 809085017 IJLUQJQWEDTKKT-UHFFFAOYSA-N 295.407 3.901 30 20 CHED C=CCCCCCCNC(=O)CCc1ccsc1 805219922 BEJUGTNEUZWQEQ-UHFFFAOYSA-N 265.422 3.933 30 20 CHED CC(C)(C#N)CCN1CCCc2c(OC(F)F)cccc21 550448738 KCIMHJQOYJJMBD-UHFFFAOYSA-N 294.345 3.980 30 20 CHED C[C@H](C#N)CNC(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 556848120 MSSQESWMLXMZKX-OIISXLGYSA-N 299.418 3.514 30 20 CHED C#Cc1ccc(CNC[C@@H](c2cccnc2)C(C)C)cc1 809625501 IQIDKZNWDMAIRY-LJQANCHMSA-N 278.399 3.592 30 20 CHED CCCCCCCC(=O)NC[C@@H]1COc2ccccc21 809223954 ZBICTYYKIKCZCN-CQSZACIVSA-N 275.392 3.639 30 20 CHED O=C(Nc1ccccc1C(F)(F)F)[C@@H](F)C(F)(F)F 297543478 PALGCFPBHJPKDF-SSDOTTSWSA-N 289.150 3.544 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1coc2ccccc12 560693147 HGQVAVBZSOSBJO-AWEZNQCLSA-N 269.344 3.542 30 20 CHED CCN(Cc1ccc(CC#N)cc1)c1ccccc1OC 564141057 PTHRWTXOGLFKPH-UHFFFAOYSA-N 280.371 3.788 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCc2cccc(F)c2)cc1 474699156 ZKIGKSDQSZBJEB-UHFFFAOYSA-N 296.345 3.557 30 20 CHED C=CCCCCNC(=O)NC[C@@H]1CCC2(CCCCC2)O1 479585044 IZFDBTYVDZMIKE-HNNXBMFYSA-N 294.439 3.524 30 20 CHED CCc1ccc(OC(=O)[C@]2(C#N)CC23CCCC3)cc1 297825702 KQXVBMWXLKSHQC-QGZVFWFLSA-N 269.344 3.628 30 20 CHED Cc1nn(C)c2sc(C(=O)/C=C/c3ccccc3)cc12 806579076 UOWRBZZERYXJFH-CMDGGOBGSA-N 282.368 3.839 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 294741444 YEGONGBPUONNQL-QGZVFWFLSA-N 283.415 3.614 30 20 CHED C#C[C@@H](NC(=O)CCC(C)(C)c1ccccc1)C(C)(C)C 807883845 RHCGDKRAUXPYAR-MRXNPFEDSA-N 285.431 3.909 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1Cc1ccc(C#N)cn1 565432031 XJXSVDURPAQKQO-LJQANCHMSA-N 291.398 3.550 30 20 CHED CC(C)c1cccc2c1CCN([C@@H]1CC[C@H](C#N)C1)C2 294672315 RWPUDVAQOPULRE-GOEBONIOSA-N 268.404 3.860 30 20 CHED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCCC#N 291069659 FABIOBDCCQKKFT-NSHDSACASA-N 287.388 3.510 30 20 CHED C#CCN(C)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 801629256 WZCHTMCMDJBQFH-UHFFFAOYSA-N 299.374 3.513 30 20 CHED N#Cc1cc(Oc2ccc(Oc3ccccc3)cc2)ncn1 390366987 OLVVQEYGOYVUAX-UHFFFAOYSA-N 289.294 3.933 30 20 CHED C=CCCCC[C@H](C)NC1CCN(C(C)C)CC1 569641416 LOTMLEOWWXMLCZ-HNNXBMFYSA-N 252.446 3.584 30 20 CHED C=CCC[C@@H](NCc1cccc([N+](=O)[O-])c1C)C1CC1 478502560 CDLXLXRTEOOCOZ-OAHLLOKOSA-N 274.364 3.738 30 20 CHED C=C(CNC(=O)[C@@H](F)c1ccccc1)c1ccccc1 805249979 IXMKUAFMGFCYPJ-INIZCTEOSA-N 269.319 3.527 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H](C)c1ccc(OC)cc1 489768679 NOBILDVXZDJPFU-CQSZACIVSA-N 289.419 3.907 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)o1 564556989 BLFBOQMIFOBMQE-IINYFYTJSA-N 297.314 3.795 30 20 CHED Cc1c[nH]nc1C=NN(c1ccccc1)c1ccccc1 814686037 UNRGSMJJIYQDAW-UHFFFAOYSA-N 276.343 3.890 30 20 CHED C=CC1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 489236720 YDHCCDRHTBJYFC-ZDUSSCGKSA-N 274.364 3.862 30 20 CHED CC(C)CCC=NNc1nc(C(F)(F)F)cs1 814868134 VIXNYHUFNHNFAW-UHFFFAOYSA-N 265.304 3.996 30 20 CHED CC1=C(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)CCC1 813212697 FKKSJZIGNDVQRZ-LBPRGKRZSA-N 294.276 3.777 30 20 CHED Fc1cc(NN=Cc2cccnc2Cl)ccc1Cl 814862069 FNTKYNWHDQBAHQ-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1ccc(C#N)s1 486635895 CTPIIJQGZUDTJT-NSHDSACASA-N 264.394 3.564 30 20 CHED CCOc1ccc(NN=CC2=Cc3ccccc3OC2)cc1 814983312 IHZAQMXXSFRAFT-UHFFFAOYSA-N 294.354 3.959 30 20 CHED Cl/C=C\CON=C1c2ccccc2CC12CCOCC2 811668009 JDWCPNJNRHWAPE-AMPHXSDXSA-N 291.778 3.513 30 20 CHED Fc1ccc(C#CCN2CC[C@@H](c3cccc(F)c3)C2)cc1 489851311 WJEYRCBAOJGCAX-QGZVFWFLSA-N 297.348 3.806 30 20 CHED CC1(C)CCC[C@@H](C=NNC[C@@H]2CCSC2)C1 811657212 IDEPROCBLVCFPX-OLZOCXBDSA-N 254.443 3.531 30 20 CHED C[C@H]1SCCC1=NNc1ccc([N+](=O)[O-])cc1Cl 814833084 WXSWSYBJHKEFJM-SSDOTTSWSA-N 285.756 3.542 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc2ccc(O)cc12 815848311 OAJNZSWWFJFHRL-UHFFFAOYSA-N 277.270 3.695 30 20 CHED C=CCC(F)(F)C(=O)N1CC=C(c2ccc(C)cc2)CC1 814835388 PNMJXMZOZWNPCE-UHFFFAOYSA-N 291.341 3.822 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CC(c3ccccc3)C2)c1 814694520 NXAXDTDGNSPEHV-UHFFFAOYSA-N 281.315 3.940 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCNC2(CCC2)C1 817985325 IYTISYMRUIAFJR-HOTGVXAUSA-N 264.457 3.776 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNCc1ccc(F)c(F)c1 814809161 ZILAWUSJNRNBFH-GFCCVEGCSA-N 291.345 3.760 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 483912702 ONBHWAROQZZYCK-DOMZBBRYSA-N 276.767 3.832 30 20 CHED CC[C@H](F)COc1c(C#N)cnc2ccc(C)cc12 488282030 JWDVXVVOLBWYNB-LBPRGKRZSA-N 258.296 3.542 30 20 CHED C=CCOCC(=O)O[C@@H](CC)c1ccc(Cl)cc1 729894664 PCSRKVFOLCNXSL-ZDUSSCGKSA-N 268.740 3.537 30 20 CHED C=CCCC1(C(=O)N(CC=C)Cc2ccc(OC)cc2)CC1 483347238 CWVUDEXYUXWYFV-UHFFFAOYSA-N 299.414 3.956 30 20 CHED N#Cc1ccc(OC(F)F)c(NC(=O)C=C2CCCC2)c1 728012175 BGPXREPNCURTQS-UHFFFAOYSA-N 292.285 3.599 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H]1CCOc2cccc(C)c21 814033414 WTHJKSWQMAQBMR-CQSZACIVSA-N 274.360 3.964 30 20 CHED N#Cc1c(F)cccc1/C=C1/CCc2ccccc2C1=O 811685639 YJOGPXCSSKOHRN-UVTDQMKNSA-N 277.298 3.910 30 20 CHED C[C@@H](C#N)Oc1ccc(C=NN[C@@H](C)c2ccccc2)cc1 727684609 JYVFTHJGRJUDJY-GJZGRUSLSA-N 293.370 3.662 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(F)c1 575791814 OPLPZEZDPPIICN-OAHLLOKOSA-N 289.354 3.740 30 20 CHED C[C@@H]1CCC[C@H]1NC(=S)Nc1ccc(C#N)c(Cl)c1 729648732 SLAHREQCGRVDAR-NOZJJQNGSA-N 293.823 3.687 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2cc(C#N)ccn2)c1 576201233 TVFSNWWYVZIVGQ-AWEZNQCLSA-N 265.360 3.613 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CCCCS1)c1ccccc1 490200312 ILXJXTKHCNDPIN-HOTGVXAUSA-N 289.444 3.748 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)C#Cc1cccs1 825367894 IIDDWNJUCDMNDV-KRWDZBQOSA-N 295.407 3.772 30 20 CHED CC[C@@H](C)OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 729077446 YIWMRCNMGDIUTM-GFCCVEGCSA-N 299.326 3.686 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC[C@@H](OC)C(CC)CC 495259176 JUCKPEQLIBOOSO-JKSUJKDBSA-N 296.455 3.578 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccn(CC)n2)CCCC1(C)C 667712733 NZJFOSNAHJIRFG-ZDUSSCGKSA-N 290.411 3.502 30 20 CHED COc1cccc(NN=C(C)c2sc(C)nc2C)c1 726737105 IUVWYGGGSSBFIV-UHFFFAOYSA-N 275.377 3.605 30 20 CHED N#CCC[C@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 492185572 VKXMYQMHPZXXNE-FDMDGMSGSA-N 296.395 3.923 30 20 CHED CCn1cc(/C=C2\CCc3c(C)ccc(C)c3C2=O)cn1 588489372 VVFGPUVQFSZDPX-OQLLNIDSSA-N 280.371 3.732 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2F)C1 665886095 XNFCVXDKOIJJJN-LLVKDONJSA-N 280.318 3.785 30 20 CHED N#CC1(CCCCOC(=O)[C@H]2CCC(F)(F)C2)CCC1 909276789 ZDCWWSMXUMUOGY-LBPRGKRZSA-N 285.334 3.829 30 20 CHED COc1ccc(NN=C(C)c2ccnn2CC2CCC2)cc1 901206908 NKTWEIFHMVPHOY-UHFFFAOYSA-N 298.390 3.528 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)C1CCCC1 733076721 WGORLLCXUQYJJZ-UHFFFAOYSA-N 260.341 3.648 30 20 CHED C[C@@H]1CCN(C(=O)CCCCCC#N)[C@H]2CCCC[C@@H]21 588635041 PQBIOFFIFFAZAU-OAGGEKHMSA-N 276.424 3.888 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C)CCC=C(C)C 584608271 OVFALBOLUSCACB-BQFCYCMXSA-N 293.451 3.856 30 20 CHED C=CCN(C)C(=O)CCCCCc1ccc(F)cc1 490922031 BBRDKCWZEUUMIX-UHFFFAOYSA-N 263.356 3.573 30 20 CHED CCO[C@@H]1CCCC(=NOCc2ccccc2OC)C1 905467771 IBMCODIJVJZGTK-OAHLLOKOSA-N 277.364 3.547 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C(=O)O)[nH]2)oc2ccccc12 832849129 YGNZUNNNVNHPAZ-VQHVLOKHSA-N 295.294 3.664 30 20 CHED C#CCCCCCC=NNc1ncnc2ccsc12 834964870 ZVMQPJBJYMXOGV-UHFFFAOYSA-N 272.377 3.673 30 20 CHED C=C(CNC(=O)N1CC[C@H](C2CCC2)C1)c1ccccc1 665749146 MYJXYWXPFNEPLG-KRWDZBQOSA-N 284.403 3.531 30 20 CHED Cc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)nn1C(C)C 835205837 ZDJFNDMHXQXJBK-CYBMUJFWSA-N 297.358 3.562 30 20 CHED C=CCCCCCOC(=O)[C@]1(C#N)CC12CCCC2 837902581 JFVNIYHJXLYJEC-MRXNPFEDSA-N 261.365 3.750 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc2cnccc2c1 835386559 LMLSZYIRXVKHBT-UHFFFAOYSA-N 282.343 3.722 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2cc(F)ccc2F)c1 834769594 OFCYAPZJWOOPPK-DAXSKMNVSA-N 269.250 3.733 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc(CC(=O)O)cc2)c1 734980948 KWVQTHYBPQZTTQ-VQHVLOKHSA-N 298.313 3.657 30 20 CHED CCO[C@@H]1CCC[C@@H](Nc2ccccc2O[C@@H](C)C#N)C1 902946240 ZAAHXAZPPDLJFN-RRFJBIMHSA-N 288.391 3.737 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCc1ccccc1C#N 734055519 WMDNADJENDSVKW-CYBMUJFWSA-N 271.360 3.818 30 20 CHED CC[C@@](C)(C=NNc1ccc(OC(F)F)cc1)OC 834952638 VUMINYWJDBBIPJ-ZDUSSCGKSA-N 272.295 3.501 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H](c1ccccc1)C1CC1 839042702 MSFPATMQUBTJPX-BBRMVZONSA-N 256.345 3.525 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@@H](C)C(C)C 733092684 LNGKBVNLMDXHLA-LBPRGKRZSA-N 262.349 3.621 30 20 CHED C=C(Cl)CNC(=O)NC1CCC(c2ccccc2)CC1 736402961 NCDLBKKWKISZBV-UHFFFAOYSA-N 292.810 3.765 30 20 CHED C=C(C)CCN1CCC(c2nc3ccccc3o2)CC1 1326539701 MVSRTLNKMJFASU-UHFFFAOYSA-N 270.376 3.973 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C2CCC2)C1 591061828 JZIUSMUNHVUBEH-SUMWQHHRSA-N 254.377 3.741 30 20 CHED Fc1ccc2c(c1)C(=NNc1nncc3ccccc13)CC2 748781893 DOWQPJFRIHOUCL-UHFFFAOYSA-N 292.317 3.531 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1ccccc1C(F)(F)F 837362590 RKWNAWHDOGSSJO-NSHDSACASA-N 297.320 3.932 30 20 CHED C[C@@H](C/N=C\c1cccc(O)c1O)Sc1ccccc1 743044785 RAINWVOEJADCSB-UEMWTREESA-N 287.384 3.698 30 20 CHED CCC#C[C@H](C)N[C@H](c1ccc(OC)cc1)C1CC1 678893774 TUWCMUIYBWHHAY-GUYCJALGSA-N 257.377 3.538 30 20 CHED N#CC1(NC(=O)C2[C@H]3CCCCCC[C@H]23)CCCCC1 597035028 XXUXPIOCFJSRTB-KBPBESRZSA-N 274.408 3.545 30 20 CHED C[C@H]1CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)CC1 845437254 ULGOTRAFLFMROC-AVGNSLFASA-N 281.359 3.565 30 20 CHED C[C@H](C#N)N(Cc1ccc(Cl)cc1Cl)C1CC1 595711304 XWYMRZASAUCBPQ-SECBINFHSA-N 269.175 3.870 30 20 CHED CC#CCOC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 744980608 IEJAPQALUSLARV-JTQLQIEISA-N 285.170 3.739 30 20 CHED CC(C)OCc1cccc(-c2cncc(C#N)c2)c1 592984971 DFKZDZUNWJTFAZ-UHFFFAOYSA-N 252.317 3.545 30 20 CHED C[C@@H](CO)N(C)N=C1CCC[C@H](c2cccc(Cl)c2)C1 842537653 DKLBPUIXXDTBIX-JSGCOSHPSA-N 294.826 3.666 30 20 CHED C=C(Cl)COC(=O)CCc1c[nH]c2cc(C)ccc12 745760467 LMVXRFVKFNEUCO-UHFFFAOYSA-N 277.751 3.705 30 20 CHED C[C@H]1C[C@@H]1C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 748682951 IUPAJLVHQBMXLU-SJCJKPOMSA-N 293.322 3.912 30 20 CHED C#C[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1F 842352849 HLHJUZJKBKQHAB-CYBMUJFWSA-N 293.725 3.636 30 20 CHED N#Cc1ccc(F)c(C/N=C\c2cc(Cl)ccc2O)c1 743043241 UJOZRPCVWVSYQB-OCKHKDLRSA-N 288.709 3.675 30 20 CHED C#CCOc1ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 742379147 RWSLEQAGLBODCP-FGTMMUONSA-N 283.415 3.757 30 20 CHED Cc1ccc(C)c(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 593934077 KDNSSNVCGINPDX-OAHLLOKOSA-N 292.382 3.992 30 20 CHED Cc1cc(C(C)(C)C(=O)O)ccc1-c1csc(C#N)c1 594872105 OTLOQLOKNAJOLJ-UHFFFAOYSA-N 285.368 3.957 30 20 CHED C=CCCSCCNC(=O)c1ccc(F)c(SC)c1 597968260 DVZZDVLNFPXWDY-UHFFFAOYSA-N 299.436 3.587 30 20 CHED CC(C)(C#N)CCN(Cc1ccccc1)C[C@@H]1CCCO1 131250908 ONBLAGBESDYPPS-KRWDZBQOSA-N 286.419 3.607 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NCCc1ccc(C#N)cc1 597888548 BFVXTSAFZIHUBH-CQSZACIVSA-N 286.419 3.679 30 20 CHED CC(C)(C#N)CC(=O)NCc1cc(Cl)cc(Cl)c1 597856024 VEBLLWVTYZSFGE-UHFFFAOYSA-N 285.174 3.549 30 20 CHED Cc1cc(C#N)ccc1NC[C@@H]1CCN(c2ccccc2)C1 846748404 OWGTYUDAUZOBSC-KRWDZBQOSA-N 291.398 3.805 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c1 748146516 JCZUQTNIDIDOTM-VURMDHGXSA-N 297.310 3.813 30 20 CHED Cc1cscc1CNC(=O)CC1(C#N)CCCCC1 597585240 VHRLOOQQRPDKIA-UHFFFAOYSA-N 276.405 3.537 30 20 CHED C=CCC1(C(=O)N2CCn3c(Cl)ccc3[C@@H]2C)CCC1 848088878 SBYJIFPRQMOLRN-LBPRGKRZSA-N 292.810 3.791 30 20 CHED FC(F)(F)c1ccc(NN=CC2CCCC2)nc1 741836197 BISCKZAPQKIZEK-UHFFFAOYSA-N 257.259 3.688 30 20 CHED Cc1csc(NC(=O)N[C@@H](C)CCC(C)C)c1C#N 590605521 DYWNIPWCPWSLKO-NSHDSACASA-N 279.409 3.874 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)COc2c(F)cccc21 748997958 MJVKHZSXVCUOBJ-UXBLZVDNSA-N 289.693 3.533 30 20 CHED C[C@H](CNCc1cc(C#N)cs1)c1cccc(F)c1 748099569 ZBWLDUCNLWPTRN-LLVKDONJSA-N 274.364 3.652 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1c(F)cccc1F 924722072 QSNATNSYCRWVIN-QWRGUYRKSA-N 266.335 3.944 30 20 CHED Cc1c(NN=C2CCC3(CC2)CC3)cccc1C(=O)O 844622556 FZAVJAOJTFYYKP-UHFFFAOYSA-N 272.348 3.815 30 20 CHED CSCC1(CC(=O)O[C@@H](C)c2cccc(C#N)c2)CC1 845348806 AKEBAPGSAOCDNB-LBPRGKRZSA-N 289.400 3.696 30 20 CHED C[C@]1(C#N)CCCN(Cc2cccc3ccoc23)C1 1330528337 JKYSZCPONJUPRH-MRXNPFEDSA-N 254.333 3.558 30 20 CHED CCN(CC)c1ncc(C=NNc2cccc(F)c2)s1 920383579 GZQZGFQPBQHQOR-UHFFFAOYSA-N 292.383 3.574 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCCOc2c(F)cccc21 926112155 NASMPSSENMXYNB-WFASDCNBSA-N 290.382 3.957 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](c1ccccn1)C1CC1 921818391 ZJRMXJACSTYWBO-BBRMVZONSA-N 287.407 3.577 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1ncc(Cl)cn1 857221358 ZXHSZUYKYMEWBS-ZJUUUORDSA-N 266.776 3.744 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1nc2ccccc2s1 755825537 WWFWKEOUGMZUIB-CYBMUJFWSA-N 276.361 3.564 30 20 CHED C#Cc1cccnc1N[C@H]1CCC[C@@H](SCC)C1 853405783 BQMBCQBEYDEPPP-UONOGXRCSA-N 260.406 3.539 30 20 CHED C[C@H]1CCCC[C@@H]1CON=C1CCC2(CC1)OCCO2 853654148 PPLDDAVSCLOISZ-UONOGXRCSA-N 281.396 3.502 30 20 CHED CO[C@H](C=NNc1cc(Cl)ccc1Cl)C1CC1 853314149 KUFRDHWVDSZUKW-GFCCVEGCSA-N 273.163 3.816 30 20 CHED CCN(CC#N)C[C@@H](C)CSc1ccccc1C 859112655 PNKVOJNAEFHTMX-CYBMUJFWSA-N 262.422 3.569 30 20 CHED CC1(C)C[C@H](/N=C\c2c(O)ccc3ccccc23)CCO1 753885753 XRPGVSICFWJFTG-VCRXTVNUSA-N 283.371 3.922 30 20 CHED C#CCNC(=S)Nc1ccc(S[C@H](C)CC)cc1C 758215365 KJLRAUVPSNNMHR-GFCCVEGCSA-N 292.473 3.805 30 20 CHED COCCOc1cccc(/C=C2/CCCC(C)(C)C2=O)c1 757536093 ZXVMJGOBYCPKSG-QINSGFPZSA-N 288.387 3.874 30 20 CHED Cc1ccnc(NN=Cc2c[nH]c3cc(C)ccc23)c1 755902088 YZXMKCCNMPALCM-UHFFFAOYSA-N 264.332 3.626 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=Cc1c(C)cccc1C 755675694 YYUYSMVQLIDEFG-UHFFFAOYSA-N 299.330 3.666 30 20 CHED CCCCCCC=Nn1c(C)nc2ccccc2c1=O 755487260 MKICWTNZKLNYAS-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)c1cccs1)c1ccccc1 757598220 PAFZVVNDYLEERB-HIFRSBDPSA-N 283.396 3.732 30 20 CHED CC(C)c1ncc(/C=C2\Cc3c(O)cccc3C2=O)s1 758429946 MSDBNOLCDODZGQ-UXBLZVDNSA-N 285.368 3.795 30 20 CHED CCc1noc(C)c1C(C)=NNc1cc(F)cc(OC)c1 769821458 XEQMKJWBUFALBK-UHFFFAOYSA-N 291.326 3.529 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C[C@H]1CCC[C@H](C)C1 768366238 ZZEKNGMHQKQSGA-RYUDHWBXSA-N 291.351 3.827 30 20 CHED C#CCCc1noc([C@H](C)c2ccc3ccccc3c2)n1 762010048 ZOKKMYCARKPNHV-CYBMUJFWSA-N 276.339 3.940 30 20 CHED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1cscn1 769261623 SDEOFGKRGZRKMB-VKDZAETISA-N 286.312 3.504 30 20 CHED CC[C@@H](C)CON=Cc1cc(Cl)c(OC)c(OC)c1 764544328 YIHGKSOZSXUSQH-SNVBAGLBSA-N 285.771 3.754 30 20 CHED C#C[C@H](C)N(C)Cc1c(-c2ccccc2)nc2sccn12 766857188 ZFWGFVLKIQJVOY-ZDUSSCGKSA-N 295.411 3.516 30 20 CHED CC(CCc1ccsc1)=NOCC(F)(F)F 764909370 UPMBROYGNSVTRY-UHFFFAOYSA-N 251.273 3.636 30 20 CHED CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccco1 863900291 NSEDWTNCEGQVNQ-ZIAGYGMSSA-N 263.381 3.860 30 20 CHED CCCCCCCCNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 765290073 GJSULUIVDRALHD-HOTGVXAUSA-N 296.455 3.604 30 20 CHED CC#CCCCC(=O)OCC(=O)c1cccc2ccccc12 767670501 FEDBQUXLXMDQKT-UHFFFAOYSA-N 294.350 3.759 30 20 CHED CC#CCCOC(=O)c1ccc(Oc2ccccc2)o1 760287006 BRIRRIDSRFBCMR-UHFFFAOYSA-N 270.284 3.642 30 20 CHED COc1ccccc1C(=O)OCCCCC(C)(C)C#N 768374544 FFHSAFUHMBNBJZ-UHFFFAOYSA-N 275.348 3.572 30 20 CHED CCC(CC)NN=Cc1cccc(-c2cccnc2)c1 768484334 IBKQUKXILQQNOF-UHFFFAOYSA-N 267.376 3.861 30 20 CHED Cc1cc(/C=C/C(=O)c2ccsc2)ccc1C#N 766491351 NVMCHFOVAUDAGP-HWKANZROSA-N 253.326 3.824 30 20 CHED COc1cc(F)ccc1NN=C/C=C\c1ccccc1 761890307 LFIAKYBDFLJOMJ-BPNKNNACSA-N 270.307 3.945 30 20 CHED N#Cc1ccc(N2CCc3ccsc3C2)cc1Cl 132460948 WAHHAYSPTFOFIZ-UHFFFAOYSA-N 274.776 3.836 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 879375227 KGUBUEDFZGXBCK-MLGOLLRUSA-N 293.382 3.620 30 20 CHED C=CCOc1ccccc1C(=O)OC/C(Cl)=C/Cl 763919191 DRWCZZYYHDFTCA-NTMALXAHSA-N 287.142 3.727 30 20 CHED CN(CCc1ccc(F)cc1F)Cc1ccc(C#N)cc1 1116530817 YPNTTWQTVGAGKA-UHFFFAOYSA-N 286.325 3.511 30 20 CHED COc1cc(O)ccc1/C=C/C(=O)c1cc(C)cc(C)c1 1116004690 JMQMXXKHHIELJO-FNORWQNLSA-N 282.339 3.914 30 20 CHED C=C(C)CN(C)C(=O)/C=C\c1cc(C)c(C)cc1C 778127315 XHGHJYXDJZZKGU-FPLPWBNLSA-N 257.377 3.660 30 20 CHED COc1cc(/C=C\C(=O)c2ccsc2)ccc1[N+](=O)[O-] 770571984 ASTNHNLGQQZYIO-HYXAFXHYSA-N 289.312 3.561 30 20 CHED C=CCN(C(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1)C(C)C 779395305 OANMDVFKPJTCOE-HZPDHXFCSA-N 296.455 3.576 30 20 CHED COc1cc(/C=C\C(=O)c2ccnc(Cl)c2)ccc1C 773143151 NFMBXOGYSVCZDL-WAYWQWQTSA-N 287.746 3.948 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 779922454 INZFVUUHMGLHEA-OWCLPIDISA-N 261.409 3.655 30 20 CHED C#CCCCCCCN[C@@H]1CC[C@H]2SCCS[C@@H]12 877129763 PVRAUVJVVXLGPV-KFWWJZLASA-N 283.506 3.539 30 20 CHED CSC(C)(C)CCNCc1ccc(C#N)c(Cl)c1 877503576 QCGQLAKNHTYDBE-UHFFFAOYSA-N 282.840 3.833 30 20 CHED CN(C(=O)CCC(F)(F)F)c1ccc(C#N)c(Cl)c1 876167745 WNXHDFPEZNNRFM-UHFFFAOYSA-N 290.672 3.517 30 20 CHED CC[C@H](NCCSC(F)(F)F)c1ccc(C#N)cc1 774132571 BSZNFVXJHWGSAJ-LBPRGKRZSA-N 288.338 3.852 30 20 CHED Cc1oc(C)c(C(=O)OCc2cccc(C#N)c2F)c1C 774906876 FKJGGLAXBUAYOZ-UHFFFAOYSA-N 287.290 3.573 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1cncs1 777448858 RSGKYHHKYOLVOJ-OAHLLOKOSA-N 287.432 3.724 30 20 CHED C#CCCCCc1nc(C(C)(C)c2ccccc2OC)no1 771665450 NOTLXIBOZASYHY-UHFFFAOYSA-N 298.386 3.750 30 20 CHED Clc1ccnc(NN=CCCc2ccccc2)c1 777905431 HAGXFIHMLROZEG-UHFFFAOYSA-N 259.740 3.766 30 20 CHED C=C1CCC(C(=O)NC[C@@H](C)c2ccccc2)CC1 887715164 JYLYINAINYGPRX-CQSZACIVSA-N 257.377 3.653 30 20 CHED C=CC[C@@H](C(=O)OCC(=C)Cl)c1ccccc1 778419419 SOBIRYICWHVISZ-CYBMUJFWSA-N 250.725 3.642 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C\c1ccc2ccccc2n1 776363969 ZZFMSHGJWCDRNQ-KTKRTIGZSA-N 294.354 3.731 30 20 CHED C(=NOC1CCCCC1)c1ccc(-n2ccnc2)cc1 777460612 ZONBPQCLCDVTMO-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C=CCC[C@@H](Nc1ccc(OCCOC)cc1)C1CC1 776842239 VSXUMTQYXJILMH-QGZVFWFLSA-N 275.392 3.869 30 20 CHED C=CCC[C@@H](Nc1ccc2c(c1)N(C)CCO2)C1CC1 777690072 WAHJPKKZEZQLLK-OAHLLOKOSA-N 272.392 3.672 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CCCC(C)(C)C1 1129632879 DZGOIGRWXJICRZ-CQSZACIVSA-N 271.360 3.992 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H](O)[C@H](C)C1 779266282 YRLXZLGGIVSDNA-GVDBMIGSSA-N 297.483 3.993 30 20 CHED CC(C)Oc1ccc(NC(=O)C[C@@H](C)C2CC2)cc1C#N 772147024 ATSXYOIXRAVISZ-GFCCVEGCSA-N 286.375 3.720 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@H]1CCC[C@@H](C)C1 1124388817 MDWSOTFUVJQOFJ-KEYYUXOJSA-N 285.387 3.859 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1-c1ncco1 889025896 LCEPIZSMPJWRQM-UHFFFAOYSA-N 285.347 3.772 30 20 CHED C=C1CCC(C(=O)Nc2cc(OC)ccc2OCC)CC1 888818996 YSUQCRGTRANWAX-UHFFFAOYSA-N 289.375 3.779 30 20 CHED C[C@@H](C#N)CN(C)Cc1csc(C2CCCCC2)n1 66471069 WHGUSTFFQAADAX-LBPRGKRZSA-N 277.437 3.782 30 20 CHED CC(=NNc1ncncc1Cl)C1CCC(F)(F)CC1 788726912 WJBOQLHBDVBMMS-UHFFFAOYSA-N 288.729 3.743 30 20 CHED C=CCCCCCC(C)=NNc1ccc(-n2ccnc2)nn1 789054294 IPJYSPWVOOHVBN-UHFFFAOYSA-N 298.394 3.587 30 20 CHED C=CCCCCCOC(=O)CCc1ccc(O)cc1 783082691 DVHWWRPPLFNFLT-UHFFFAOYSA-N 262.349 3.614 30 20 CHED CCCc1ncc(C(=O)OCCCC(C)(C)C#N)s1 783866331 VKRFDGVCIGPVDK-UHFFFAOYSA-N 280.393 3.582 30 20 CHED O=C(/C=C/c1cc(Cl)cc2c1OCC2)c1cscn1 782889942 OSBZOYAEEUPWRH-OWOJBTEDSA-N 291.759 3.628 30 20 CHED N#CCc1cccc(C(=O)OCCSc2ccccc2)c1 783016793 YTQMDHYEHFPTEA-UHFFFAOYSA-N 297.379 3.702 30 20 CHED Cc1ccc([C@H](C)C(=O)OCc2ccc(C#N)c(C)c2)o1 783941141 UZFHNBWDQPGUPR-ZDUSSCGKSA-N 283.327 3.615 30 20 CHED Fc1cccc(C2CC(=NNc3ncncc3Cl)C2)c1 780275944 WIMRLONKICTHOZ-UHFFFAOYSA-N 290.729 3.615 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1COC2(CCCC2)O1 793548731 UVOGVAKAYQFBGW-HOTGVXAUSA-N 281.440 3.787 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H](O)c1ccccc1 793521157 VJWZQBMRHMFDRZ-WBVHZDCISA-N 261.409 3.835 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(F)c2ccccc12 796365036 GIQJMAVGHINPHV-UHFFFAOYSA-N 286.302 3.671 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2scnc2C)c(O)c1 799894638 AESDMQMWKOAEQA-PLNGDYQASA-N 273.357 3.670 30 20 CHED C#CCC1(C(=O)O[C@H](C)c2ncccc2F)CCCCC1 791804570 SHEVGCQICNYPJD-CYBMUJFWSA-N 289.350 3.799 30 20 CHED N#CC[C@H](CC(=O)O[C@H]1C=CCCC1)c1ccccc1 795982743 QVJQLRIBEFCQRK-CVEARBPZSA-N 269.344 3.726 30 20 CHED COC(=O)c1cc(NN=C(C)c2ccc(C)o2)ccc1C 793098914 XLXSKNBLSCMYLD-UHFFFAOYSA-N 286.331 3.519 30 20 CHED C=CCC(C)(C)C(=O)OC[C@@H](OC)c1ccccc1 796456314 ZBCDRYSKVVXSAO-CQSZACIVSA-N 262.349 3.520 30 20 CHED CC1(C)CCc2ccccc2C(=NNc2cccnn2)C1 797787057 YVSGABDAKYNEHM-UHFFFAOYSA-N 280.375 3.655 30 20 CHED C=CCN(CCc1ccncc1C)Cc1ccccc1 567778498 IEILTQLCBKJODZ-UHFFFAOYSA-N 266.388 3.621 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2CC2(C)C)s1 797568409 RIQJQFXEXUULAL-NXEZZACHSA-N 276.405 3.663 30 20 CHED C#C[C@H](N[C@H](C)[C@H](C)c1ccc(Cl)cc1)[C@@H]1CCCO1 793086284 UUSWRFZBAJKNDF-RMHZUWNSSA-N 291.822 3.602 30 20 CHED CC(C)[C@@H]1CN(CCC2(C#N)CCCCC2)CCS1 1307496024 RJHCJUQLLFQLPY-HNNXBMFYSA-N 280.481 3.924 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(C)[C@H](C)CCC 1301012791 IAVPLBXZEPEEHO-GFCCVEGCSA-N 284.835 3.779 30 20 CHED CC1(CNc2ccc(Cl)c(C#N)n2)Cc2ccccc2C1 1307068268 FEAPGTSWJYPQCW-UHFFFAOYSA-N 297.789 3.824 30 20 CHED CN(Cc1ccc(F)cc1F)c1nc(C#N)c(Cl)s1 1162074308 XGRGNRLAMXXWMG-UHFFFAOYSA-N 299.733 3.583 30 20 CHED Cc1nc(-c2ccccc2)n(CCCC(C)(C)C#N)n1 1319345753 JVNBLMYKDMLHAC-UHFFFAOYSA-N 268.364 3.584 30 20 CHED C=CCCC(CC)=NNc1ccc(C(C)(C)C)nn1 1318928623 LRRWPABJCHOOHS-UHFFFAOYSA-N 260.385 3.918 30 20 CHED Fc1ccc(CCC=NOCCC(F)(F)F)cc1 1325277318 GEFZXABVMSAIAJ-UHFFFAOYSA-N 263.234 3.713 30 20 CHED N#CCCCNc1nccc2c(Br)cccc12 1320029541 GIKSCLIDVRCLTM-UHFFFAOYSA-N 290.164 3.713 30 20 CHED CC[C@@H](CCc1ccccc1)N=c1cc(C)[nH]cc1C#N 1187044424 JSSZDPZILPCNOM-KRWDZBQOSA-N 279.387 3.507 30 20 CHED Cc1cc(N2CCc3cc(Cl)ccc32)c(C#N)cn1 1187824638 WBULUGOMJCZBIE-UHFFFAOYSA-N 269.735 3.609 30 20 CHED C=CC(C)(C)c1nnc(COc2ccc(Cl)cc2)o1 1330073461 GAKVOUVJWGFFNU-UHFFFAOYSA-N 278.739 3.766 30 20 CHED C=CCCCc1nnc(COc2ccccc2OCC)o1 1330039707 RUYAPHMTCAMSJJ-UHFFFAOYSA-N 288.347 3.556 30 20 CHED N#CC1(CC(=O)N2CC[C@H]3CCCC[C@@H]3C2)CCCCC1 1331310548 OQYGWZMFPWZDGY-HZPDHXFCSA-N 288.435 3.889 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1nc2ccccc2s1 1336349312 RDLIBDOUSHOQGK-NSHDSACASA-N 274.389 3.830 30 20 CHED CC1(C)CCC(CC(=O)Nc2ccc(C#N)c(C#N)c2)CC1 1265434851 ONSJAHKNSRIGHR-UHFFFAOYSA-N 295.386 3.975 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc(NC(=O)C2CC2)cc1 1343418435 VLZPZBLNUQSDIN-LBPRGKRZSA-N 287.359 3.543 30 20 CHED C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N(CC)CCC 1340194297 AFEMWUIACSOZDX-GFCCVEGCSA-N 298.381 3.603 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1csc(C#N)c1 1344096493 SLWVGGRLIYFSSE-TZMCWYRMSA-N 296.395 3.638 30 20 CHED C=C(C)CCC(=O)N(C)C/C(C)=C/c1ccccc1 1340630356 QKNOJMWWMXHRBC-NTCAYCPXSA-N 257.377 3.905 30 20 CHED CC1(C)Cc2cccc(NC(=O)c3csc(C#N)c3)c2O1 1344125689 LURRVHBXORTHLP-UHFFFAOYSA-N 298.367 3.586 30 20 CHED C=CCOCCCc1nnc(-c2cc3ccccc3o2)o1 1345828301 LSHSQTCSUNWQPC-UHFFFAOYSA-N 284.315 3.618 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 1351341400 NQCFBJPYPAMIST-SNVBAGLBSA-N 291.420 3.536 30 20 CHED CCOc1ccccc1NC(=O)[C@@H](CC#N)c1ccccc1 1350121735 VRVHHRINZQDXOA-HNNXBMFYSA-N 294.354 3.721 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(Cl)cs2)c1 1275796900 LSELQLGSZYKOGY-UHFFFAOYSA-N 276.748 3.834 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(Cl)c(F)c2)cs1 1357290393 SGDJBQGUXAHLHV-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@@H]1CC[C@@H](C)[C@@H](Nc2cccc(OCC#N)c2)C1 221888477 GCLUZWATQWXFFB-IOASZLSFSA-N 258.365 3.826 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)ccc1Cl 1525048220 CPQUKFWFOYUQQI-AAEUAGOBSA-N 277.751 3.888 30 20 CHED CCc1cccc(NC(=O)[C@H](CC#N)c2ccccc2)c1 1525293812 WBCXMERINACCHW-QGZVFWFLSA-N 278.355 3.885 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1cc(C#N)ccc1C 1466923274 RILXKUFZBVDFQT-UHFFFAOYSA-N 289.338 3.909 30 20 CHED Cc1ccc(N[C@@H](CCC#N)c2ccccc2)nc1C(=O)O 1607807724 UEYSYGYSSIPMFK-AWEZNQCLSA-N 295.342 3.545 30 20 CHED CCCC[C@H](C(=O)N1CCc2ccc(C#N)cc21)C(C)C 1537674913 TVBHTTMKAFHMMN-INIZCTEOSA-N 284.403 3.910 30 20 CHED C[C@H](CC#N)N[C@@H]1CCCC[C@H](c2ccccc2)C1 1474251076 QWKJDNCBEFYLFQ-HYVNUMGLSA-N 256.393 3.995 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1Cc1cc(C#N)ccn1 1618195379 AYMOMLYSFXZOAX-CLCXKQKWSA-N 291.398 3.720 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCO2 5129135 KHCRDAMISCDRCL-VQHVLOKHSA-N 296.322 3.710 30 20 CHED C=CC[C@@H](C)NCc1cccc(Br)c1 116926615 SXLNWNLVBFNLSG-SNVBAGLBSA-N 254.171 3.503 30 20 CHED N#Cc1ccc(CNCc2ccc(-c3cnco3)cc2)cc1 1621095212 BKLSYVQTJPSHBE-UHFFFAOYSA-N 289.338 3.503 30 20 CHED CCC[C@@H](Cc1ccccc1)Nc1cc(C#N)nc(CC)n1 1559095534 FMBPLKYJXVMMQC-HNNXBMFYSA-N 294.402 3.734 30 20 CHED CCCC[C@H](CCC)CNC(=O)N1CCC[C@H](C#N)C1 1564306960 SCAYNEPNVBUXPX-LSDHHAIUSA-N 279.428 3.538 30 20 CHED C[C@@H]1CC[C@@H](NCc2cccc(F)c2C#N)C[C@H]1C 1560743032 WPJZISNRDKSRQM-YRGRVCCFSA-N 260.356 3.612 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCc2ccccc2N1 1574831887 WRYWHBWVDOUBNK-HNNXBMFYSA-N 286.419 3.522 30 20 CHED CC[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F 1642715994 BVJKXMXEXPBSCR-JSGCOSHPSA-N 294.345 3.828 30 20 CHED C[C@@H](CSc1ncc(C#N)cc1F)c1ccccc1 1651039475 SZBDOQSCRNJEOK-NSHDSACASA-N 272.348 3.988 30 20 CHED C[C@@H](Sc1ncc(C(=O)O)s1)c1ccc(C#N)cc1 1593678267 HYIFJGIFSSHNMW-MRVPVSSYSA-N 290.369 3.566 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)Nc1ccc(C#N)c(F)c1 1672081017 XZHSONNRHPVMNE-UHFFFAOYSA-N 291.370 3.891 30 20 CHED C=CCON=C(C)c1sc2ccccc2c1C(=O)O 1776060143 GCZGGZUXKMQDNH-UHFFFAOYSA-N 275.329 3.526 30 20 CHED C=C1CCN([C@H](C(=O)O)c2cccc3ccccc23)CC1 1776145948 XCTCERYXDKCQOX-KRWDZBQOSA-N 281.355 3.618 30 20 CHED CCCC(=NNc1ccc(CC(=O)O)cc1)[C@@H]1CC1(C)C 1776085337 FURSTWAWCBHNQF-AWEZNQCLSA-N 288.391 3.928 30 20 CHED O=C(O)c1ccc2scc(C=NOC/C=C\Cl)c2c1 1776080723 XVOQVBLIHGKTEP-ZQPYHITOSA-N 295.747 3.703 30 20 CHED CCc1ccc(CNc2ncccc2OCCCC#N)o1 162244422 CRWFSQRJORJFPE-UHFFFAOYSA-N 285.347 3.532 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(C)c(C)c2)ccc1O 206960698 UVAYJKRMGDARLK-VURMDHGXSA-N 282.339 3.914 30 20 CHED C=CCC[C@@H](NC(=O)N[C@@H](C)CSC)c1ccccc1 158683142 JQBPCAILWROHDV-DZGCQCFKSA-N 292.448 3.745 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccc(O)cc2)c1C 160686105 HZMQTQJHHRTYJD-MDZDMXLPSA-N 284.359 3.512 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H](C)C1 152721983 ZVBNJHQFAGRXCN-MAUKXSAKSA-N 296.414 3.899 30 20 CHED C#CCCCCNC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 155076587 CVVMGZBQXGTFTN-INIZCTEOSA-N 298.430 3.800 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1 155573402 IHYHVDKKBRBHKU-INIZCTEOSA-N 270.376 3.599 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCN(C)[C@H](C)C1 157744733 MQUZITCUZLYBOY-XHSDSOJGSA-N 254.462 3.808 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2ccc(C#N)cc2)o1 19950915 QAPDGUZQUCZWRB-XHDPSFHLSA-N 252.317 3.887 30 20 CHED N#Cc1sc(N2CC=C(c3ccccc3)C2)nc1Cl 804594484 CGYKVDCNAKQNRB-UHFFFAOYSA-N 287.775 3.572 30 20 CHED CCC(=O)Nc1ccc(NCc2ccc(C#N)s2)cc1 135692561 HUIIXDHDQWCEBW-UHFFFAOYSA-N 285.372 3.580 30 20 CHED C[C@H](CSC(C)(C)C)Nc1ccc(OCC#N)cc1 1320670259 RMAMQFLGKQAZSN-GFCCVEGCSA-N 278.421 3.921 30 20 CHED COc1cccc(Cl)c1CNc1cccc(F)c1C#N 169281383 OJRJQLPKDTYIPG-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)CC 48322309 VIZAHMRESALHNM-ZDUSSCGKSA-N 258.365 3.599 30 20 CHED C#CC1CCN(C(=O)CCCC2CCCCC2)CC1 700580552 WJYHEXZQJXUFFM-UHFFFAOYSA-N 261.409 3.609 30 20 CHED N#Cc1cccc(Nc2ccc3c(c2)CCCCC3)n1 404704324 OPLUVLMIIMSTFH-UHFFFAOYSA-N 263.344 3.966 30 20 CHED C#C[C@H](NCc1ccc2cc(OC)ccc2c1)C(C)C 312162552 SCFZBOOQVYJOOH-SFHVURJKSA-N 267.372 3.596 30 20 CHED N#Cc1cc(CN[C@H]2CCCC23CCCCC3)ccn1 312973331 JSHNRXNQMDTEOU-INIZCTEOSA-N 269.392 3.546 30 20 CHED C=CC1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 409445969 GTKNDYSKDDMFCH-MRXNPFEDSA-N 263.425 3.766 30 20 CHED C=CCOc1ccccc1CN[C@@H](C(C)C)C1CC1 324206519 CEZWLKOYNKBRRQ-KRWDZBQOSA-N 259.393 3.776 30 20 CHED CCOc1cc(C#N)ccc1OC[C@@H]1CCCC1(F)F 382250764 XDRWRXSMPPCSJB-LBPRGKRZSA-N 281.302 3.771 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc2cccnc12 695843111 OBULGPJZAYSERA-ZDUSSCGKSA-N 267.376 3.653 30 20 CHED C=CCC1(O)CCN(Cc2csc3ccccc23)CC1 717464160 NXTWWXJTSOLNFA-UHFFFAOYSA-N 287.428 3.804 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc(Cl)cs1 804834631 KAZYCFKBVWPVQT-UHFFFAOYSA-N 289.787 3.677 30 20 CHED C=CCCCCCCNCc1ncc(CC)s1 394937533 MYGYKJSCUFZPBU-UHFFFAOYSA-N 252.427 3.932 30 20 CHED C[C@H]1CC[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)O1 397963275 WFVMYQXSWHNGQT-JOYOIKCWSA-N 284.281 3.556 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(CC#N)cc1 7369118 KFYWMLPQYDSDGO-WFASDCNBSA-N 287.432 3.618 30 20 CHED Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(C#N)c1 7975598 MMBNFYBEYSCOQY-UHFFFAOYSA-N 299.761 3.571 30 20 CHED CC[C@H](C#N)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F 106763063 WOZPBNJYDYQEIG-OAHLLOKOSA-N 296.345 3.833 30 20 CHED N#CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 52105679 GZPAZZSTHKMTPE-LBPRGKRZSA-N 255.148 3.654 30 20 CHED CC(C)n1ccc(CSCc2ccccc2C#N)n1 172038455 GALVVNFFRLHPJX-UHFFFAOYSA-N 271.389 3.769 30 20 CHED C=CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 110968883 RSCKKXSIBPIJLT-UHFFFAOYSA-N 288.778 3.860 30 20 CHED N#CCCCOc1cccc(NC(=O)c2ccccc2F)c1 54827635 XPCSLKUOFCXLOL-UHFFFAOYSA-N 298.317 3.761 30 20 CHED CCCSc1nc(C)cc(C(F)(F)F)c1C#N 27750740 QDMQRVLRWVVKFV-UHFFFAOYSA-N 260.284 3.783 30 20 CHED C=CCOC(=O)c1cc(-c2ccncc2)nc2ccccc12 118982470 NBVVRLXXHUCHGE-UHFFFAOYSA-N 290.322 3.640 30 20 CHED C[C@@H]1CC/C(=C/C(=O)O[C@H](CC#N)c2ccco2)C1 1347949046 PSLDMMMBUWWOHS-NYKUVOBASA-N 259.305 3.524 30 20 CHED Cc1ccccc1NC(=O)Nc1cccc(C#N)c1C 178544565 GBSHDYMOHGOIKP-UHFFFAOYSA-N 265.316 3.819 30 20 CHED C[C@H](c1ccccc1)N(C)CCOc1ccccc1C#N 60465054 KCLLYNLTEDLROP-OAHLLOKOSA-N 280.371 3.630 30 20 CHED CCSCC[C@H](C)NC(=O)Nc1cc(C#N)ccc1C 175748776 PZNVDUQIFOXTCK-LBPRGKRZSA-N 291.420 3.520 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)N(C)CCC#N)ccc21 176559433 ZVFAVYKUUIKXOE-UHFFFAOYSA-N 298.390 3.675 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 171429280 ITGFRJXHHVYKKC-CQSZACIVSA-N 263.768 3.970 30 20 CHED C=CC[C@H](C)N[C@@H]1CCc2ccc(Br)cc21 304219008 GZIIOWDRFUCLSQ-IINYFYTJSA-N 280.209 3.991 30 20 CHED CCCCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 66391804 VBCLSUUGBFMWLX-LLVKDONJSA-N 285.174 3.864 30 20 CHED C=CCCSc1ncnc2sc(C)c(C)c12 303746533 APODTVWFIYHSSB-UHFFFAOYSA-N 250.392 3.976 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]3OCCC[C@@H]32)c(C(F)(F)F)c1 302528322 DPDZWJQKPUCQSS-HONMWMINSA-N 296.292 3.556 30 20 CHED CCOCCCNc1nc(-c2ccc(C#N)cc2)cs1 171847404 XZTIMGKRRBNTAX-UHFFFAOYSA-N 287.388 3.520 30 20 CHED C#CCCCNC(=O)c1cc(-c2ccccn2)ccc1Cl 179126460 USAVQYMRSYSDSC-UHFFFAOYSA-N 298.773 3.545 30 20 CHED C=C(C)Cn1nc(-c2ccc(Br)cc2)nc1C 176667655 QCOKYLJCEGZJSQ-UHFFFAOYSA-N 292.180 3.592 30 20 CHED C[C@@H]1Cc2ccccc2N1CCNc1ccc(C#N)cc1F 303104406 IVCNMMAHIQHCPS-CYBMUJFWSA-N 295.361 3.560 30 20 CHED CCN(C(=O)C1=C(C)OCCC1)[C@H](C)c1ccc(C#N)cc1 179349043 ZBTNTEWKWBCJDM-CYBMUJFWSA-N 298.386 3.552 30 20 CHED Cc1ccc(OCC(=O)Nc2cc(C#N)ccc2C)c(C)c1 63961017 TYSCEHVCTWANMJ-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C=C(C)COc1cccc(NC(=O)Cc2cccs2)c1 66463626 WVPVRFIUJRFVLD-UHFFFAOYSA-N 287.384 3.884 30 20 CHED CC(C)c1ccccc1OCCNc1ccc(C#N)nc1 301538913 USHAAMPKISFUBA-UHFFFAOYSA-N 281.359 3.568 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1ccc(F)c(C#N)c1 176088503 ICEBOARTLOTXEK-NEPJUHHUSA-N 289.354 3.740 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1ccc(F)c(F)c1 171350641 XPKDFFRYTQMBES-GQCTYLIASA-N 279.673 3.909 30 20 CHED CC(C)c1ccc(C[C@@H](C)NCc2ccc(C#N)o2)cc1 122263666 GPHZJSAAJYGWBZ-CQSZACIVSA-N 282.387 3.995 30 20 CHED CC1CCN(C[C@@H]2CCCN(c3ccc(C#N)cc3)C2)CC1 301129356 WROXNUSQCCYTIS-SFHVURJKSA-N 297.446 3.507 30 20 CHED C=CCC[C@H](Nc1cccc(N2CCCC2=O)c1)C1CC1 182808823 MRRPCKXYOGEEBV-KRWDZBQOSA-N 284.403 3.970 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccccc1OC 181417933 HCZQRICZTBTUJL-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C=CCC[C@@H](NC(=O)N1CC[C@@](C)(F)C1)c1ccccc1 501093513 KHVHXFNBQBDFHG-NVXWUHKLSA-N 290.382 3.837 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 410833384 GQODXFDYSYVMAY-XUWVNRHRSA-N 276.424 3.744 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(C#N)c1 188091249 DAFBDMOVGYSRMF-AWEZNQCLSA-N 275.355 3.623 30 20 CHED N#Cc1ccc(CN2CC[C@H]2c2ccccc2)cc1F 361827617 CYMPXSSMPLVLJF-KRWDZBQOSA-N 266.319 3.644 30 20 CHED C[C@@H](CC(=O)N1CCCc2cc(C#N)ccc21)C(C)(C)C 411001810 NGYRHEGSFLRCAG-ZDUSSCGKSA-N 284.403 3.910 30 20 CHED C=CCC[C@@H](CCC)NCc1nnc(C2CC2)s1 414320839 CXBZGBQSVZTDMN-GFCCVEGCSA-N 265.426 3.640 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)Cc1csc2ccccc12 410829483 QYYAFVYIIRDZDE-ZDUSSCGKSA-N 286.400 3.594 30 20 CHED CCc1noc(CC)c1CN[C@H](C)c1ccc(C#N)cc1 124843972 WJXWQXQRSQSRIA-GFCCVEGCSA-N 283.375 3.522 30 20 CHED C=C(C)CN(CC)C(=O)CCSc1ccc(F)cc1 120590369 IKRODZGIMJKTBV-UHFFFAOYSA-N 281.396 3.733 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1c[nH]c2cccc(C)c12 182641744 WAONIBNIXGRKAZ-AWEZNQCLSA-N 284.403 3.880 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCCC(C)(C)C1 508491339 SKPSCRSIQLILTB-CYBMUJFWSA-N 276.428 3.604 30 20 CHED C#C[C@H](C)NC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 186103164 HWTVIFVKBNTPTI-QWHCGFSZSA-N 284.359 3.547 30 20 CHED Cc1cccc(C)c1OC[C@@H](NCC#N)c1ccccc1 181379626 CZDLYGCWQUFOOE-QGZVFWFLSA-N 280.371 3.537 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OC(C)(C)C)cc1 185232005 LKEDEIUIOJRWOQ-AWEZNQCLSA-N 259.393 3.928 30 20 CHED CC(C)(CCC#N)CN1CCSC[C@H]1c1nccs1 186636746 NOCJDBXRVPJIIZ-LBPRGKRZSA-N 295.477 3.563 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccccc2F)s1 79262986 GYAROLYXOZQIKF-UHFFFAOYSA-N 274.320 3.574 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)Cc1occc1C 413429366 DGFKDOVUKDSHBH-AWEZNQCLSA-N 278.396 3.864 30 20 CHED CC(C)(C)c1csc(NC(=O)C2CC=CC2)c1C#N 410926579 IVEKXKTVLDCBJY-UHFFFAOYSA-N 274.389 3.822 30 20 CHED C=CCC1(C(=O)NC[C@@H]2C[C@H]2c2cccc(OC)c2)CCC1 412885241 RTJFGXMPIJXCRQ-RDJZCZTQSA-N 299.414 3.661 30 20 CHED COc1ccc(C)cc1CCN[C@@H](C)c1cccc(C#N)c1 181419200 DJCXWQGCKHYFNM-HNNXBMFYSA-N 294.398 3.769 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 412018074 ZIIBRBMTQPFIEC-KBAYOESNSA-N 296.414 3.532 30 20 CHED N#CC1(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 329151450 AXNPSLPMPVZBIQ-SOUVJXGZSA-N 290.407 3.622 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1oc2ccccc2c1C 506773652 RPFLAFDDCYWIKP-PXAZEXFGSA-N 284.359 3.858 30 20 CHED CCSCCCNc1ccc(Br)cc1C#N 135548000 IQDLJENEWKIDED-UHFFFAOYSA-N 299.237 3.876 30 20 CHED COc1cc(C#N)ccc1NC(=O)CC1CCCCCC1 132783432 FXMAGSJRZQRVHG-UHFFFAOYSA-N 286.375 3.866 30 20 CHED Cc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc(C)c1F 134262651 VBBOGOITKOCXPC-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED CCc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)o1 418146518 PRIPQMHXIRYAIN-GOSISDBHSA-N 280.371 3.881 30 20 CHED C=CCC1(C(=O)N(C)[C@H]2CCc3ccccc3C2)CCC1 191901845 DYPFRJXGDIGMGX-KRWDZBQOSA-N 283.415 3.749 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(C(F)(F)F)cc1C 410834206 JSTDGDWOIZTATG-GFCCVEGCSA-N 298.308 3.778 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 503905572 ZNMBVRQIHBVNRJ-IPBJHCPJSA-N 284.403 3.838 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)cc2OC)CCC1 191881177 QOCKBRXTDQYMDK-UHFFFAOYSA-N 259.349 3.689 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NCc1cc(C#N)n(C)c1)CC2 191618474 DTGWFTHRFBLKQO-IBGZPJMESA-N 293.414 3.797 30 20 CHED C=CCN(CCC#N)CCc1cccc(Cl)c1Cl 428869870 FILIAIVBAATVTR-UHFFFAOYSA-N 283.202 3.938 30 20 CHED N#CC1(CSCc2noc(-c3ccsc3)n2)CCC1 516857449 WOPJXUSROAICFM-UHFFFAOYSA-N 291.401 3.725 30 20 CHED CC(C)(C)OCCCNc1ccc(Cl)c(C#N)c1 610681336 WXSCFVLXPLVZNO-UHFFFAOYSA-N 266.772 3.829 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc(Cl)c1 264178948 AWFDIBRRLVQFMP-UHFFFAOYSA-N 278.783 3.742 30 20 CHED C#CCCCC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 192272413 RPFIOTLULKNEBH-MSOLQXFVSA-N 283.415 3.708 30 20 CHED C=CC[C@H](C)NC(=O)C(C)(C)Cc1cccc(Cl)c1 84766285 FJLMRWMZWNQSEQ-LBPRGKRZSA-N 279.811 3.990 30 20 CHED CN(CCC#N)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 192421215 QJJIHVOANOZUHJ-UHFFFAOYSA-N 290.125 3.510 30 20 CHED C=CCN(CCC#N)CCOc1ccc2ccccc2c1 428875697 WDVOZVXVBVLRKI-UHFFFAOYSA-N 280.371 3.620 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc(OC)c(O)c1 519484720 YDTVJJQJWFNKLO-QWHCGFSZSA-N 263.381 3.796 30 20 CHED CC[C@@]1(C)CCN(c2nc(C(C)(C)C)ccc2C#N)C1 613428928 CUIMXDCDAKVBRJ-KRWDZBQOSA-N 271.408 3.877 30 20 CHED C=CCN(CC=C)C(=O)c1cnc(-c2ccccc2)s1 513282648 MPSJECKOCIYZGR-UHFFFAOYSA-N 284.384 3.624 30 20 CHED C=CCC(C)(C)c1nc(COc2cccc(F)c2)no1 428171261 RAYJLHASZBCTRB-UHFFFAOYSA-N 276.311 3.641 30 20 CHED C[C@H](NC(=O)N(C)c1ccc(F)cc1)c1ccc(C#N)cc1 334477819 QRGYXPODVULEER-LBPRGKRZSA-N 297.333 3.604 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 335206861 HSYRAVDAIIIMIO-GFCCVEGCSA-N 291.354 3.616 30 20 CHED COc1ccc(Br)c(NCCC(C)(C)C#N)c1 88319666 DNNSPTXGSKQANG-UHFFFAOYSA-N 297.196 3.809 30 20 CHED CC(C)CC[C@H](/N=C(/O)c1cnc[nH]1)C(C)(C)C 330791336 AMVVJBHTVFMRSI-LBPRGKRZSA-N 251.374 3.565 30 20 CHED N#Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1 332774764 BZNVHWGOPHOYPH-KZNAEPCWSA-N 296.414 3.781 30 20 CHED C[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1ccc(C#N)cc1 192353523 ZMOXDZQIZLGDQQ-FZKQIMNGSA-N 292.382 3.992 30 20 CHED N#CCCNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 427631828 ARCJVJZJUCKDQB-UHFFFAOYSA-N 290.794 3.572 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccccc1Cl 179641992 MCAQWKDARSREHK-GFCCVEGCSA-N 263.768 3.711 30 20 CHED CCc1nc(C)c(CN(Cc2ccc(C#N)cc2)C(C)C)o1 428204254 IKKZIIOQDVOBIY-UHFFFAOYSA-N 297.402 3.828 30 20 CHED C=C(Br)CSc1nc(CC)cs1 382966710 SJIYYLDIGIWXKO-UHFFFAOYSA-N 264.213 3.706 30 20 CHED N#Cc1nc(Sc2cccc(C(=N)O)c2)ccc1Cl 335725618 JUOFGUWFBFSPLL-UHFFFAOYSA-N 289.747 3.641 30 20 CHED N#Cc1c(CN2CCC[C@H]2C2CCCC2)cn2ccccc12 515509462 YMBCILRNTGQLGY-SFHVURJKSA-N 293.414 3.966 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCN(C2CC2)c2ccccc21 425559838 HYKDUHLGULGXOP-UHFFFAOYSA-N 284.403 3.604 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cscn1 334923898 WSPQBXCJEMZDRJ-NHYWBVRUSA-N 283.400 3.743 30 20 CHED CC(C)C[C@@H]1C[C@@H](N/C(O)=N/CC2CCCCC2)CCO1 330724911 ZTVWVCHUTNBJCT-JKSUJKDBSA-N 296.455 3.664 30 20 CHED CCC1(CC)CCN(C(=O)c2cccc(C#N)c2C)C1 337968136 MVKKHWHRJXEHBG-UHFFFAOYSA-N 270.376 3.519 30 20 CHED CCCn1nc(C)c(CN(CCC#N)CC(C)(C)C)c1C 93101098 KQGGHXZLDDXYQT-UHFFFAOYSA-N 290.455 3.672 30 20 CHED CCCc1nc(/C(O)=N/[C@@H]2CCCC[C@H]2C)co1 330836920 XGZFHLPVUYSPKW-GHMZBOCLSA-N 250.342 3.510 30 20 CHED C=C(Cl)CN1CCC(OCc2ccc(F)cc2)CC1 91889486 NJPWHSJHLBGNTJ-UHFFFAOYSA-N 283.774 3.559 30 20 CHED Cc1nccc(N=C(O)N2CCCC[C@H]2c2ccccc2)n1 330084234 BUIJZEPVWXYVSG-HNNXBMFYSA-N 296.374 3.558 30 20 CHED CN(Cc1ccc(C#N)cc1F)Cc1c(F)cccc1F 339599500 CKGDXHRKNZZGAK-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C=CCOCCCC(=O)N(CCCC)c1ccccc1 434332374 GEOJHHPDXKKTRA-UHFFFAOYSA-N 275.392 3.803 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2cccnc2)C1 248882111 LAKAIGKNYIYZHG-AYOQOUSVSA-N 291.398 3.843 30 20 CHED C[C@@H](CC#N)NC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 438828519 HENUEXSRFBQLBS-ZDUSSCGKSA-N 286.419 3.680 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ncc(CCC)s1 439372532 RVILSPVAFFZSED-JTQLQIEISA-N 267.398 3.572 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2nccs2)C1 249288997 QHXLMGOATICDMG-CZUORRHYSA-N 297.427 3.955 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 248268161 ULTKTCKOBPLLRW-ZDUSSCGKSA-N 295.810 3.840 30 20 CHED N#CC1(CN2CCC[C@@]3(CCCc4ccccc43)C2)CC1 343314889 PFIURFNUTPTNQU-IBGZPJMESA-N 280.415 3.660 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 245510425 LIJUBYUHTCUIHF-IIAWOOMASA-N 264.413 3.503 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2ccc3occc3c2)C1 529277746 ZZNLWGKJTBCXEA-GFCCVEGCSA-N 283.331 3.590 30 20 CHED Cn1ccc2c(NCCOc3cccc(C#N)c3)cccc21 525688429 PFCMLDYVCXQJML-UHFFFAOYSA-N 291.354 3.541 30 20 CHED Cc1csc(C(=O)NCC(C)(C)CCC#N)c1Cl 345943319 AJAJSBKZGXDKOK-UHFFFAOYSA-N 284.812 3.770 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCc3ccccc32)c(F)c1 344359246 YBJNDFJLHQPUJN-HNNXBMFYSA-N 280.346 3.517 30 20 CHED CC(C)N(CCC#N)Cc1cnc(C(C)(C)C)s1 536639122 WKTCOIPXXMLDLM-UHFFFAOYSA-N 265.426 3.565 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccn1 342378117 XYODAQAIDYKHEC-LBPRGKRZSA-N 299.399 3.634 30 20 CHED C[C@@H](CCC#N)CN1CCSC2(CCCCC2)C1 602481881 FSVGSEYURJXCNM-AWEZNQCLSA-N 266.454 3.678 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)NCC(C)(C)CCC#N 345896764 BNOAGBYPUSCWIS-OAHLLOKOSA-N 286.419 3.935 30 20 CHED Cc1sc2ncnc(S[C@@H](C#N)C3CC3)c2c1C 601068925 JNGBEWJURPECKZ-JTQLQIEISA-N 275.402 3.702 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)C(C)(C)c1ccccc1 522664194 LURFUZZTGGAKDO-KGLIPLIRSA-N 274.408 3.617 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 346093461 HXXBGLYGXQYNDD-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=CC(C)(C)C(=O)Nc1nc2ccc(C)cc2s1 448896069 MQKYREUOYLKBQS-UHFFFAOYSA-N 260.362 3.755 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCO[C@@H]1c1cccnc1 449309386 AHAOXUSMRJREMM-BHYGNILZSA-N 274.408 3.636 30 20 CHED CC[C@H](CC#N)NC(=O)c1sc2ccc(C#N)cc2c1C 346717209 FSBWJDNKISFOPF-GFCCVEGCSA-N 297.383 3.503 30 20 CHED Cc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)s1 255598122 WUDJJAXSVBHRLB-ARJAWSKDSA-N 279.342 3.922 30 20 CHED Cc1cc2cc(CNCc3ccc(C#N)cc3)ccc2[nH]1 353121356 DLIGSVKSSSUBQB-UHFFFAOYSA-N 275.355 3.638 30 20 CHED CC(C)N(CCC#N)C[C@@H](C)CCc1ccccc1 538308444 UWIYHKKZVCHMDN-INIZCTEOSA-N 258.409 3.879 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)NCc1cc(C#N)ccc1F 449967052 JPCBKZHGXXGNGX-HIFRSBDPSA-N 288.366 3.530 30 20 CHED CCc1ccc(CN(C)Cc2cc(C#N)ccc2F)s1 533255631 QVDBQCMMZOYXLF-UHFFFAOYSA-N 288.391 3.953 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1C#N 533113987 CCXPORDQBIFWON-INIZCTEOSA-N 292.382 3.790 30 20 CHED N#Cc1ccc(S[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1 600520295 ILPPXKDOJBQQRY-IAGOWNOFSA-N 296.395 3.966 30 20 CHED Cc1ccc2c(c1)CCN2c1c(C#N)nnc2ccccc12 530537951 MTRQLMYOTMWKOD-UHFFFAOYSA-N 286.338 3.504 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@H](OCC)C(=C)C 535137876 MVKYICKCWZMMOR-KRWDZBQOSA-N 287.403 3.573 30 20 CHED C[C@@H](CN[C@@H]1CCC[C@@H](C#N)C1)Oc1ccc(Cl)cc1 446972874 AVVMPCSMUCUQCK-GZBFAFLISA-N 292.810 3.779 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 449177071 ORXWLVPWMAUHQY-RCJHGTSTSA-N 285.497 3.791 30 20 CHED CC(C)(C)CSCC(=O)Nc1cc(Cl)ccc1C#N 440587059 FBZVLCXQGYATSV-UHFFFAOYSA-N 296.823 3.929 30 20 CHED N#CC1(F)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 352485077 XGYZRRQGHOEPHN-UHFFFAOYSA-N 286.272 3.533 30 20 CHED CC#CCCN1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 444701992 XLGFLIPRLVUQCU-BBRMVZONSA-N 277.795 3.515 30 20 CHED C=C(C)CCc1noc(-c2csc(CC(C)C)n2)n1 351621429 XUJOROOKNZBQKQ-UHFFFAOYSA-N 277.393 3.900 30 20 CHED CC[C@H](C#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 266950868 SUVIDDKVEMIJJZ-PSASIEDQSA-N 285.174 3.515 30 20 CHED C[C@@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)C1CC1 619508307 UUAKGQBGCQHSNR-SCLBCKFNSA-N 268.404 3.961 30 20 CHED Cn1ccc2ccc(NCc3cccc(C#N)c3F)cc21 442875523 WGIIABKRYIPNAX-UHFFFAOYSA-N 279.318 3.801 30 20 CHED CC(C)C(NC(=O)N[C@H](C)c1cccc(C#N)c1)C(C)C 610907612 GBTJVDXFNRDLFC-CYBMUJFWSA-N 287.407 3.599 30 20 CHED N#Cc1cccc(OCCCN2CCC[C@H]2C2CCC2)c1 357250845 HQDJTLJKNNMMLA-SFHVURJKSA-N 284.403 3.592 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCCOc2ccccc21 268178559 KRDAMBXUUNZREP-INIZCTEOSA-N 285.387 3.785 30 20 CHED C=CCCc1nc(C(C)(C)c2cccc(F)c2)no1 445621276 OWGUINKATNZPFX-UHFFFAOYSA-N 260.312 3.653 30 20 CHED Cc1ccc(C[C@H](C)N[C@H]2CC[C@H](C#N)C2)c(C)c1 442774591 ZPVJKDXRXMGDHS-ZOBUZTSGSA-N 256.393 3.516 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(OC(C)C)cc1)OCC 535906308 QZJFIPAGSIWCPS-MRXNPFEDSA-N 291.391 3.784 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1cc(C#N)cs1 537625633 LVTNFNDMWHGDHT-LLVKDONJSA-N 286.375 3.878 30 20 CHED C=CCCC(=O)N(CCC)[C@@H](C)c1ccccc1OC 263695952 SORRPCFTRANJEL-AWEZNQCLSA-N 275.392 3.961 30 20 CHED C=C1CCN(Cc2ccc(OC(F)F)c(OCC)c2)CC1 353319118 BZISGWCKBRLFIT-UHFFFAOYSA-N 297.345 3.839 30 20 CHED C[C@H](NC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 619428736 SJOZIGXLLGLUKF-XJKSGUPXSA-N 299.418 3.839 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1 538508888 KAPWDAFARRLCQX-UONOGXRCSA-N 298.361 3.815 30 20 CHED CN(CCCc1ccccc1)CCOc1cccc(C#N)c1 534600812 XSSOORPEPAYMQK-UHFFFAOYSA-N 294.398 3.502 30 20 CHED C=CCN(CCc1ccco1)Cc1ccccc1OC 352998499 PNCBCMSZRCSAIP-UHFFFAOYSA-N 271.360 3.519 30 20 CHED C=CCCSCC(=O)Nc1cc(Cl)ccc1OC 265766865 LEFNNSYZTYNHKZ-UHFFFAOYSA-N 285.796 3.596 30 20 CHED CN(Cc1ccc(C#N)o1)[C@@H]1CCCc2ccccc21 535781701 GPDGXHHSIFCCRW-QGZVFWFLSA-N 266.344 3.661 30 20 CHED C=CCC[C@H](NC[C@@](C)(CC)OC)c1ccco1 453291875 BZJWRSVNTORHEI-DZGCQCFKSA-N 251.370 3.692 30 20 CHED N#Cc1ccc(CNCC2(c3ccccc3)CCC2)c(F)c1 533311691 AEYFTAQNCDPSHS-UHFFFAOYSA-N 294.373 3.909 30 20 CHED C=CCC1(NC(=O)[C@H]2CCc3cccnc32)CCCCC1 615961779 TVWOFNDTYKRXRT-HNNXBMFYSA-N 284.403 3.507 30 20 CHED C=C(C)CN(CC)Cc1cnc(-c2ccccc2)nc1 532460507 MODWUIKNYXISJZ-UHFFFAOYSA-N 267.376 3.542 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccncc1 610367658 SOYVLFJDONGCRV-OAHLLOKOSA-N 279.387 3.926 30 20 CHED C=CCCSCc1nc([C@@H](C)SCC)no1 268714134 FYRHLVFNFCFIFL-SECBINFHSA-N 258.412 3.693 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(C#N)cc1 611541169 DYNDSXNAQSGELE-ZYHUDNBSSA-N 268.282 3.725 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Cl)c(C#N)c1 538684814 NNFYTNUGAQIGHR-NHYWBVRUSA-N 290.794 3.862 30 20 CHED C=CCC1(C(=O)N[C@H](C2CC2)C(F)(F)F)CCCC1 452126734 RCFXOHUZNGPKFB-LLVKDONJSA-N 275.314 3.580 30 20 CHED CCC1(CC)CN(C(=O)[C@]2(C#N)C[C@H]2C)c2ccccc21 450204312 JFMHOGPQGKGJBO-ACJLOTCBSA-N 282.387 3.641 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(-c2ccco2)s1 610804744 NZZFKNIGSWIJHE-OAHLLOKOSA-N 288.372 3.676 30 20 CHED C#CCCCC(=O)N(C)Cc1c(Cl)cccc1Cl 277226290 MRSPZPUKUWHKIY-UHFFFAOYSA-N 284.186 3.755 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 617777208 KKLKLVLWYDXYAH-HOTGVXAUSA-N 261.409 3.938 30 20 CHED CC[C@H](NCC1(C#N)CCC1)c1ccc(F)cc1F 450674795 SUDUWHQNWSMTSR-AWEZNQCLSA-N 264.319 3.699 30 20 CHED CC[C@H](C)CN(C)Cc1c(C#N)c(C)nn1-c1ccccc1 611347263 UJEQQGBENMHGDB-AWEZNQCLSA-N 296.418 3.530 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CC(C)(C)C#N 278488556 LEVRBUYYYFSSEV-NSHDSACASA-N 278.783 3.799 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc([C@H]2CCCC[C@H]2CC)no1 453188937 RCQQBTLTORVSAD-RQJABVFESA-N 276.380 3.812 30 20 CHED CC#CCCCc1nc(Cc2cccc3cccnc23)no1 274369714 ZYZCPCNUSIDDSQ-UHFFFAOYSA-N 291.354 3.555 30 20 CHED C=CC(C)(C)C(=O)Nc1nccc2ccc(C)cc12 616816597 NPUNDRZPHREXCB-UHFFFAOYSA-N 254.333 3.694 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1C 271231610 QOZHLRBAOWRCSB-WDEREUQCSA-N 291.782 3.721 30 20 CHED C[C@@H]1CCC[C@@H](C)N(c2ncc(C#N)cc2Cl)C1 361093634 BLLCXBHJFMXTOB-GHMZBOCLSA-N 263.772 3.622 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCC(CC#N)CC1 543666143 COMZFGGKFGKAQC-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](CC)C1CCC(C)CC1 546597422 DHLBLIGYIUBOBZ-PFSRBDOWSA-N 264.413 3.647 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1cccs1 620863778 BPMPKZOVISFLQB-UHFFFAOYSA-N 251.395 3.542 30 20 CHED C=CCCc1noc(-c2cc(C)n(C(CC)CC)n2)n1 453237978 PVVBUMJNISGANI-UHFFFAOYSA-N 274.368 3.721 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2coc3ccccc23)C1 278780754 PSVQOHYCORINKA-TZMCWYRMSA-N 254.333 3.605 30 20 CHED CC[C@@H](NC[C@@H]1CCCN(C(C)C)C1)c1ccc(C#N)cc1 278833112 UFUJGPUGRXJIHX-PKOBYXMFSA-N 299.462 3.719 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)s1 274301719 GDTXVTUTZBZJNB-IZPAUZPXSA-N 296.823 3.859 30 20 CHED CC/C(=C\C(=O)NCCCC#N)c1cccc(Cl)c1 273085843 YRXRAVVGNGLLSN-VAWYXSNFSA-N 276.767 3.553 30 20 CHED CCc1ncnc(N[C@@H](CCC#N)c2ccccc2)c1F 271112294 QATSTDYXIYQFKX-AWEZNQCLSA-N 284.338 3.635 30 20 CHED COc1cccc(OCCSCCC(C)(C)C#N)c1 276670054 YSYGUKFINKKALE-UHFFFAOYSA-N 279.405 3.747 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2c(C#N)cnc3ccccc23)CCO1 271409798 JZYBRSADJGLDJP-WMLDXEAASA-N 295.386 3.722 30 20 CHED C[C@]1(CN[C@H]2CCC[C@H](C#N)C2)CCCc2ccccc21 463236528 LGGKTOYMHNARMR-VDZJLULYSA-N 282.431 3.953 30 20 CHED C=CCN1CCC(N[C@H](c2ccccc2)C(F)(F)F)CC1 273370541 VRPGSRVJBVPHSG-OAHLLOKOSA-N 298.352 3.530 30 20 CHED C=C(C)CN1CCc2c(Br)ccc(F)c2C1 542627765 REEAQYMEXARMSV-UHFFFAOYSA-N 284.172 3.522 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccccc1SC 620857763 ISAKGHWPVKQTHN-UHFFFAOYSA-N 277.433 3.812 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccccc1)C(F)(F)F 462822046 NJCZAXKPAOCLRF-QLFBSQMISA-N 299.336 3.861 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(Oc2ccccc2)cc1 465106418 DNTUKZAPDWTJPN-ZDUSSCGKSA-N 267.328 3.783 30 20 CHED CC#CCNC(=O)N[C@H](c1cccs1)C(CC)CC 460119660 UVDHNLLTAQWVSG-AWEZNQCLSA-N 278.421 3.548 30 20 CHED C=C[C@@H](Cc1nc(Cc2ccncc2)no1)c1ccccc1 547010774 FEWGVPUGMRLFCG-HNNXBMFYSA-N 291.354 3.568 30 20 CHED C=CC[C@H]1N(c2nnc(C)n2CC(=C)C)CCCC1(C)C 460561447 QJGCMVLYZVSPDD-OAHLLOKOSA-N 288.439 3.734 30 20 CHED CCc1occc1C(=O)Nc1sc2c(c1C#N)CCC2 280440704 UEMUZDUHNKWMBK-UHFFFAOYSA-N 286.356 3.516 30 20 CHED CC[C@H](C(=O)N(CCC#N)CCC(C)C)c1ccccc1 468324059 QXZCJTDWVLONKA-KRWDZBQOSA-N 286.419 3.969 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2cc(F)c(C)cc2s1 285792499 CSKFOKZEBOJUCW-AWEZNQCLSA-N 291.351 3.622 30 20 CHED C=CCOc1ccc(CN[C@H]2CCc3cccc(O)c32)cc1 297163877 DAMQOORFUZTMNF-KRWDZBQOSA-N 295.382 3.734 30 20 CHED C=C(Br)CN1CCC[C@H](C(C)(C)C)C1 708550074 WCFZIUQIEUTDTC-NSHDSACASA-N 260.219 3.653 30 20 CHED CON(CC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Cl 806359107 SDEBHKWWVBABHK-UHFFFAOYSA-N 295.770 3.653 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccccc1F)CC(C)C 472760163 RVQMEBLSZRPHNW-MRXNPFEDSA-N 279.399 3.611 30 20 CHED C#C[C@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1ccc(Cl)cc1F 804421338 MNRWOVJECBHHKY-HFAKWTLXSA-N 293.769 3.706 30 20 CHED CC#CC(=O)N[C@@H](CCC)c1ccc(Cl)c(Cl)c1 801143473 IWPWOOWMYBOUSA-ZDUSSCGKSA-N 284.186 3.974 30 20 CHED C=CCCCCNC(=O)[C@@H](CC)c1ccc(F)cc1 471674990 ZBNTXWCWRQBYCQ-HNNXBMFYSA-N 263.356 3.792 30 20 CHED CCC#C[C@H](C)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808787559 VYIXLKIZKFTQOF-FFZOFVMBSA-N 293.410 3.853 30 20 CHED CCCC[C@H](S[C@@H](C#N)C1CCCCC1)C(=O)OC 475885022 RWBJVEPPBZHWOG-KBPBESRZSA-N 283.437 3.924 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 474187737 DVPCPQSVKWPTOL-NSHDSACASA-N 279.330 3.888 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccc(Cl)c(F)c1 299648451 KUDPIILCCAUKOK-SNVBAGLBSA-N 254.736 3.603 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)cc(Cl)c1O 474432170 LZJRCMWNLDIEFM-UHFFFAOYSA-N 283.730 3.892 30 20 CHED COc1cc(C#N)ccc1OCCc1ccccc1Cl 477161817 JGEOPXGEXMEXFK-UHFFFAOYSA-N 287.746 3.842 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1CC)C(C)C 801660009 ZLXFVWSAWQTDHZ-DLBZAZTESA-N 271.404 3.776 30 20 CHED C=CCN(C)C(=O)NC1CCC(CC)(CC)CC1 473875906 JZGNASRRMDQEHC-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(C)c1Cl 806323716 XWWQHZGYSIOODR-LLVKDONJSA-N 264.756 3.572 30 20 CHED CCC(=NN[C@H](C)c1ccncc1)c1cccc(C)c1 819818337 LWADSBFLNOAULE-CQSZACIVSA-N 267.376 3.855 30 20 CHED N#CC1(CN[C@H](Cc2ccccc2)c2ccccc2)CC1 487947450 MMLLOSLHNIGQFT-GOSISDBHSA-N 276.383 3.864 30 20 CHED Cc1nc(N(C)Cc2nc3ccccc3s2)ccc1C#N 487940585 NENWWQSLPXYIID-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ncc2c(n1)CCC(C)(C)C2 488430441 DTZFRVCCIYPFBU-GFCCVEGCSA-N 287.407 3.532 30 20 CHED N#Cc1ccc(F)c(CN(CC2CCC2)CC2CC2)c1 483269142 QMMDZWXGUVZZEI-UHFFFAOYSA-N 272.367 3.709 30 20 CHED C=CCCCCCCCNC(=O)C1CCC(OC)CC1 810767423 VWXAOGRLAROKAG-UHFFFAOYSA-N 281.440 3.834 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc2oncc2c1 814787614 QRMUDCIRVMCCSV-UHFFFAOYSA-N 290.326 3.622 30 20 CHED CC(Cc1nc2ccccc2s1)=NOC/C=C/Cl 811670614 WXEBJTOIYNWWOR-JEVKGGJXSA-N 280.780 3.984 30 20 CHED CCCCCC(C)=NNC(=S)Nc1ccccc1 818216249 UCCOKCHDSWTQBL-UHFFFAOYSA-N 263.410 3.929 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCO[C@H](C)C1 657971886 SQCIRQIFKMSWSV-VQHPVUNQSA-N 265.441 3.916 30 20 CHED CSCCCC=NNc1cc(F)c(F)cc1F 814851871 ZCQIPIGFHKZWHP-UHFFFAOYSA-N 262.300 3.645 30 20 CHED C=CCn1cccc1C(=O)N1CCC(C)(C(C)C)CC1 488912777 HMCUAPNXCALZOU-UHFFFAOYSA-N 274.408 3.572 30 20 CHED CC#CCCNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 483426384 CXESGFUMMCGSGT-FUHWJXTLSA-N 298.430 3.625 30 20 CHED Cc1cc(C)c2cc(CN[C@H]3CCC[C@H]3C#N)[nH]c2c1 482514039 SFKJHTKEGBZNLG-BBRMVZONSA-N 267.376 3.567 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2ccccc2C)CCCC1 486391055 AVNXMGAIMASHTR-OAHLLOKOSA-N 271.404 3.888 30 20 CHED C=Cc1ccc(CCNc2snc(Cl)c2C#N)cc1 812478517 MVQPJDPXAAXRGJ-UHFFFAOYSA-N 289.791 3.966 30 20 CHED COc1ccc(-c2ccccc2C(=O)O)cc1C1(C#N)CC1 577733889 HWKVCWZPAMKILF-UHFFFAOYSA-N 293.322 3.616 30 20 CHED Cc1cc(C=NNc2ccccc2Br)c(C)[nH]1 812462702 SPVBREBJNKLSRR-UHFFFAOYSA-N 292.180 3.840 30 20 CHED FC(F)(F)c1cccnc1NN=C1CC[C@@H]1C1CC1 814802022 WZADHEJUHWFBKP-SECBINFHSA-N 269.270 3.688 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(OC)cc2C)c1 727062272 WJZRGTVHAIMBTG-UHFFFAOYSA-N 285.343 3.859 30 20 CHED C#CCCOC(=O)CSc1ccc(C(C)(C)C)cc1 727042801 RRGAQQGVAITIJK-UHFFFAOYSA-N 276.401 3.643 30 20 CHED C=CCC[C@@H](C(=O)NC1(C(F)(F)F)CC1)c1ccccc1 655093634 OJGZAJYLJWICSL-CYBMUJFWSA-N 297.320 3.948 30 20 CHED C#Cc1ccc(C(=O)NCCCCCCCCC)cn1 728859144 PQWRKNJAYAIOEK-UHFFFAOYSA-N 272.392 3.543 30 20 CHED CC(C)C[C@H](C)CC(=O)OCCOc1ccccc1C#N 727881720 QHOALUUQIQJQSM-AWEZNQCLSA-N 289.375 3.553 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 826790597 BXAMUELTSPTHNH-BZSNNMDCSA-N 296.414 3.725 30 20 CHED C[C@@H](C=NNc1cnc2ccccc2n1)c1ccccc1 727256867 XFAQZFLSEYDYPL-ZDUSSCGKSA-N 276.343 3.831 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H]1c1ccc(F)cc1 661121117 ATXAYGFFTXSUGL-GJZGRUSLSA-N 276.355 3.637 30 20 CHED CCN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCCC[C@@H]1C 727322398 IPENVOBVDOVDJZ-PIJMTYBESA-N 296.414 3.999 30 20 CHED Cc1cccc2cc(C(=O)N3CCC[C@@](C)(C#N)C3)sc12 588927612 XIGVHADSIXUQCV-KRWDZBQOSA-N 298.411 3.976 30 20 CHED CCCn1ccc2ccc(NC(=O)C#CC(C)C)cc21 829387545 DUCIYENBJRQHSJ-UHFFFAOYSA-N 268.360 3.649 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCO[C@H](C(C)C)C1 826982486 XTXWNBSVOOGKTJ-CABCVRRESA-N 269.429 3.524 30 20 CHED CC(C)C1CCC(NC(=O)CCCCCC#N)CC1 588161764 UNRDPPRGSVMZFH-UHFFFAOYSA-N 264.413 3.791 30 20 CHED COc1ccc(Cl)c(CON=Cc2cccs2)c1 588581544 LUSPJCDPPMYKRN-UHFFFAOYSA-N 281.764 3.961 30 20 CHED CSCCCCCCNC1CCC(C)(C#N)CC1 824147658 NCGARCXSHDWPCY-UHFFFAOYSA-N 268.470 3.972 30 20 CHED Cc1ccc(CN2CCCC(C)(C)[C@H]2C#N)c(C)c1 580617049 PQZSGNKCYDECFY-MRXNPFEDSA-N 256.393 3.818 30 20 CHED C=CCCN(C)C[C@H](OC)c1ccc(Cl)cc1 669934877 WLUCCSXOCHXCLJ-AWEZNQCLSA-N 253.773 3.535 30 20 CHED CC[C@](C)(NCc1cccc(F)c1C#N)C(F)(F)F 582463093 ZFLRBXKXGAEODH-LBPRGKRZSA-N 274.261 3.518 30 20 CHED Cc1cc(C(F)(F)F)nn1Cc1ccc(Cl)cc1C#N 580261526 LOUFJQQWLMTKLN-UHFFFAOYSA-N 299.683 3.784 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](CC)C(C)(C)C 494899481 BJVMIOZPFLMZHS-STQMWFEESA-N 252.402 3.561 30 20 CHED CC(C)CN(C(=O)OC1CCC1)c1ccc(C#N)cc1 496693196 SVQXZEXNAUQEJC-UHFFFAOYSA-N 272.348 3.710 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2F)s1 821007358 HJJOIHADNJMBNI-FNORWQNLSA-N 291.303 4.000 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CC2CCC1CC2 498440803 KSTVWOHSBODXNT-DQPZFDDXSA-N 287.403 3.663 30 20 CHED CCCCCNC(=S)NN=C1CCC[C@@H](C2CC2)C1 737426795 CWGZAMSHYWMCIG-CYBMUJFWSA-N 281.469 3.597 30 20 CHED CCOc1ccc(/C=N\[C@@H]2CCC[C@@H](SC)C2)c(O)c1 735229444 ZOTLNLWXKHXOAU-DCFZTUSPSA-N 293.432 3.884 30 20 CHED C=CCCC(C)(C)NC(=O)NC1CCC(OC(C)C)CC1 664511096 CHZKNAOWLOXFJE-UHFFFAOYSA-N 296.455 3.767 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 664332718 GDRWPXWFAZHCDL-LBPRGKRZSA-N 262.328 3.646 30 20 CHED CC(C)[C@H]1CCCCN1Cc1ccc(OCC#N)cc1 735311171 BGVSXFNXKYKHPI-QGZVFWFLSA-N 272.392 3.599 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C\c1ccc[nH]1 491994690 BLDMQYVSPMWZPT-KHPPLWFESA-N 280.371 3.633 30 20 CHED C=CC1CCN(C(=O)C2(C3CCCCC3)CC2)CC1 906646760 KDPQULVONXKGCJ-UHFFFAOYSA-N 261.409 3.772 30 20 CHED N#Cc1ccsc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 497989426 JLSNOZKUZNUXAM-SGMGOOAPSA-N 288.416 3.708 30 20 CHED CC(C)C1=NN/C(=N/CCc2ccc(Cl)cc2)SC1 730815361 IJVOROFUKHJNMK-UHFFFAOYSA-N 295.839 3.587 30 20 CHED N#CCCCCCC(=O)Nc1nc2cccc(Cl)c2[nH]1 588639577 KXDQTJBNEHPVGQ-UHFFFAOYSA-N 290.754 3.629 30 20 CHED CC(C)(C)C#CC(=O)NCc1cccc(Cl)c1Cl 837331827 VYBZLAUIRQJXLF-UHFFFAOYSA-N 284.186 3.659 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 839892761 ZWSUPLWCYMNQGU-WDEREUQCSA-N 259.340 3.529 30 20 CHED O=C(/C=C\c1cccc(OC(F)(F)F)c1)c1ccncc1 588386377 LUTLRKLKLUBGBS-PLNGDYQASA-N 293.244 3.876 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C1 839044133 PIHCVGARFFVYPU-MFKMUULPSA-N 297.276 3.945 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ccc(O)c(Cl)c1 588618404 QVXSLNBLEUBYGA-ALCCZGGFSA-N 283.714 3.813 30 20 CHED CC(=O)c1cc(C#N)ccc1NCc1csc(C2CC2)n1 834671999 AAAKPFJEOCQRJO-UHFFFAOYSA-N 297.383 3.707 30 20 CHED Cc1cccc(C=NNC(=S)Nc2ccccc2)c1C 731149389 YKDMTDZDTWWRMS-UHFFFAOYSA-N 283.400 3.624 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)NCC(C)(C)C#N)c1 586806019 VBVYGQMENHXHKN-CQSZACIVSA-N 286.419 3.655 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@H](F)C2)c(C(F)(F)F)c1 584045496 RILGYIBNFWTCBW-UWVGGRQHSA-N 272.245 3.880 30 20 CHED N#CCCCCCC(=O)NCCCCC1CCCC1 588159843 JHGOIZPUJOAMEA-UHFFFAOYSA-N 264.413 3.937 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)C1CCCC1 839436515 ZWRXVFCXOGFZRD-UHFFFAOYSA-N 264.328 3.840 30 20 CHED C#CCCCC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 839832637 ZBBLZUHTNZPXDS-ZBFHGGJFSA-N 289.806 3.896 30 20 CHED C[C@H]1CCC[C@H](C)C1NCc1cccc(C#N)c1F 580377773 PNTYFTLPSPBSEE-RYUDHWBXSA-N 260.356 3.612 30 20 CHED CCCCCCCC(=O)N1CCc2ccc(O)cc2CC1 736674877 DWCDAFXDILLNCE-UHFFFAOYSA-N 289.419 3.680 30 20 CHED O=[N+]([O-])c1cccc(NN=CCCc2ccccc2)c1 916268948 HTRMODMOGJGMCE-UHFFFAOYSA-N 269.304 3.625 30 20 CHED C=CCN(Cc1cccs1)C[C@H]1CC1(Cl)Cl 838537213 WQXMFIGFSZVNET-SNVBAGLBSA-N 276.232 3.930 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] 836785134 MYKUMDCVARDGIM-JTQLQIEISA-N 296.754 3.641 30 20 CHED CC(C)N(Cc1ccccn1)C(=O)CC1(C#N)CCCCC1 596859491 LFPWUDWQKPBPLP-UHFFFAOYSA-N 299.418 3.683 30 20 CHED Cc1cc(C)c(NC(=O)N2CCC[C@H](CC#N)C2)c(C)c1 596627436 ZKRLCTYKNOHKHR-OAHLLOKOSA-N 285.391 3.769 30 20 CHED COc1ccc2c(c1)O/C(=C\c1c(F)cccc1F)C2=O 749131886 GZHQAJFZFZQHSE-NVNXTCNLSA-N 288.249 3.590 30 20 CHED CCOc1ccccc1C(C)=NNc1ccc(C(=O)O)cc1 916240822 PZATYGWFIPCHQQ-UHFFFAOYSA-N 298.342 3.620 30 20 CHED C(=NNc1ccccn1)c1cccc(OC2CCCC2)c1 917536183 LXOGSLGDBITBAI-UHFFFAOYSA-N 281.359 3.849 30 20 CHED CC#CCOC(=O)CCc1cccc(OC2CCCC2)c1 744948014 YCJGJHDUEXBYFR-UHFFFAOYSA-N 286.371 3.507 30 20 CHED CCCCCCCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 749516090 RRDBAHXDDBBGTF-FUHWJXTLSA-N 278.484 3.906 30 20 CHED C=CCN(C(=S)NCCSc1ccccc1)C(C)C 917589027 FVBVVTBLAJWYST-UHFFFAOYSA-N 294.489 3.550 30 20 CHED C=CCN(C(=S)Nc1ccc(Cl)cc1)[C@@H](C)COC 849276507 FPWLHPMQPGIXJP-NSHDSACASA-N 298.839 3.560 30 20 CHED C=C[C@@H](C)ONC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 846548716 GQKGUZQYHAGAKX-PBQZMEPESA-N 299.292 3.731 30 20 CHED CC1=CC(=NNc2ccc(Cl)cc2[N+](=O)[O-])CC1 915976407 TXEYGJWLDODILJ-UHFFFAOYSA-N 265.700 3.756 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)C2CCC3(CC2)CC3)C1 597257885 JFWIVCJCMGPARB-SUMWQHHRSA-N 274.408 3.545 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H]1C[C@H](C)C(=O)C(C)(C)C1 847943520 VGRULVVPQZCESD-NWDGAFQWSA-N 266.381 3.526 30 20 CHED CC(C)C1CCN(C(=O)CC2(C#N)CCCCC2)CC1 597301601 NKJZZRHRMLUNAC-UHFFFAOYSA-N 276.424 3.745 30 20 CHED C=C[C@@H](C)ON=Cc1cccc(OCC)c1OC(F)F 844625010 PGXHKLZPHAKKGH-SNVBAGLBSA-N 285.290 3.612 30 20 CHED CCCCCN(C(=O)c1ccc(C=NOC)cc1)C(C)C 919988964 XEDGPYLLEJOREH-UHFFFAOYSA-N 290.407 3.708 30 20 CHED Cc1ccc(C[C@@H](C#N)SC(=S)N2CCCC2)cc1 917861593 WFNYVYGHNNEPLW-AWEZNQCLSA-N 290.457 3.544 30 20 CHED C[C@H]1CC2(CCOCC2)CN1[C@H](C)c1cccc(C#N)c1 592184681 RZBRQXCKUDEPDR-LSDHHAIUSA-N 284.403 3.510 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1oc2ccccc2c1C 915970527 FHCRFRDCCKFRRU-UHFFFAOYSA-N 294.358 3.984 30 20 CHED CCc1ccc(C=NOCc2nnc(C(C)C)s2)cc1 842017766 HUVPAEBOXUPLMT-UHFFFAOYSA-N 289.404 3.775 30 20 CHED CC1(C)/C(=C/c2ccnn2CC2CC2)C(=O)c2ccccc21 849246191 PMBPKXOHLAMCKK-GZTJUZNOSA-N 292.382 3.851 30 20 CHED CC[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccc(C)cc1 596099123 RPSLLSNTSVANIX-RDJZCZTQSA-N 299.418 3.781 30 20 CHED C=C[C@H](C)ON=C(CC1CCCCC1)c1ncccn1 844623459 GXABYWJJKVJZEH-ZDUSSCGKSA-N 273.380 3.742 30 20 CHED C[C@H]1CCCCCC1=NNc1nncc2ccccc12 844566453 GAJRRIYQGISBDO-LBPRGKRZSA-N 268.364 3.998 30 20 CHED C=CCCCC(=O)OCCCc1cccc(OC)c1 748236184 SYWOQOKDRGTPSN-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CCC[C@H](C(=O)N(CC)CCC#N)c1cccc(Cl)c1 599138749 KGGQJVYQLFBCNK-HNNXBMFYSA-N 292.810 3.986 30 20 CHED C#Cc1cccc(N(C(=O)c2ccc(C)c(C)n2)C(C)C)c1 840345355 KNFVYFBIGAQLCT-UHFFFAOYSA-N 292.382 3.735 30 20 CHED N#Cc1c(Cl)nsc1NCCC1CC(F)(F)C1 840314574 JVUYQRCCGHQQOQ-UHFFFAOYSA-N 277.727 3.515 30 20 CHED C=C[C@H](C)ONC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 845639666 SBQIHLQJMLWRII-RYUDHWBXSA-N 288.347 3.641 30 20 CHED CCSc1ccc(C(=O)/C=C\c2cc(C)nn2C)cc1 841486831 ZWGBBXGUIVIFEL-YFHOEESVSA-N 286.400 3.737 30 20 CHED CCN(CC)c1ccc(NC(=O)C#Cc2ccccc2)cc1 747202584 MMUXDUXEOTZVEA-UHFFFAOYSA-N 292.382 3.523 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ccc(Cl)nn1 920358409 CYJMVQNTIVYVCT-UHFFFAOYSA-N 288.782 3.859 30 20 CHED O=C(O)c1cc(NN=C/C=C\c2ccco2)ccc1Cl 920357294 CZEDTHVCLDEGGA-MAPOGHOJSA-N 290.706 3.742 30 20 CHED C[C@@H](NN=C1CSCc2ccccc21)c1ccccc1 920382779 OJINLPWKBXBDEP-CYBMUJFWSA-N 282.412 3.988 30 20 CHED C#CC(=O)N[C@@H](c1ccc(CCCC)cc1)c1cccs1 753914443 PROSUWGQQWYSLC-SFHVURJKSA-N 297.423 3.930 30 20 CHED C[C@@H]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)C[C@H]1C 754633602 XZCXWHVHHBUDSN-JRQYMDJUSA-N 282.387 3.512 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1(Cc2ccccc2)CC1 851207346 BXMWSPOXGMMYJY-AWEZNQCLSA-N 285.387 3.881 30 20 CHED N#Cc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)ccc1F 756272207 YLSPXXNAIOIXIL-ALCCZGGFSA-N 296.257 3.502 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CC(C)(C)C)cc1 920970507 KSTWFLDSCKNXTM-UHFFFAOYSA-N 258.365 3.678 30 20 CHED Cc1cc(NN=Cc2c(C)cc(Cl)cc2C)ncn1 756890158 SNLMPESRCJMFMC-UHFFFAOYSA-N 274.755 3.501 30 20 CHED CCC/C=C\C(=O)Nc1cc(C#N)ccc1OC(C)C 920743436 CYGCUUVYLRRWNZ-SREVYHEPSA-N 272.348 3.640 30 20 CHED CC(C)Oc1ccccc1CN[C@@H](C)CC(C)(C)C#N 924729188 JJKOTWMVDPELEB-AWEZNQCLSA-N 274.408 3.892 30 20 CHED C[C@H]1CN(C(=O)c2ccc(CC#N)cc2)Cc2ccccc21 758116871 BVVNIPGMFTWVLP-AWEZNQCLSA-N 290.366 3.512 30 20 CHED Cc1ccc(/C=C\C(=O)c2c(C)nn(C)c2C)c(C)c1 920832172 GAHMSDAOPDJCQV-HJWRWDBZSA-N 268.360 3.550 30 20 CHED N#C[C@H](C(=O)C(C1CC1)C1CC1)c1ccc2ccccc2n1 753534641 IVIVFSDVAWDTRF-HNNXBMFYSA-N 290.366 3.847 30 20 CHED CC1(C)CCC[C@@H](C=NNCc2ccc(C#N)cc2)C1 752735597 PXZLNVKZVHFJHJ-MRXNPFEDSA-N 269.392 3.850 30 20 CHED Cc1ccc(COC(=O)c2cccc(F)c2C#N)cc1C 758575405 DISWOUVLVLAWBV-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=C[C@H](OC(=O)[C@H]1CCC[C@@H](OC)C1)c1ccccc1 851452093 OKLAVVMRKLQPON-XHSDSOJGSA-N 274.360 3.662 30 20 CHED CC(=NNC1CC1)c1ccc(SCC(F)(F)F)cc1 758133575 PYJFKCOHEIDJJQ-UHFFFAOYSA-N 288.338 3.817 30 20 CHED COc1cccc(/C=N\CCc2ccc(C)cc2C)c1O 920864326 SSSMXXXXYVDDNO-UNOMPAQXSA-N 283.371 3.679 30 20 CHED C=C[C@H](CC(=O)OCC(C)(C)n1cccn1)c1ccccc1 851307506 LXRYWILNKYBYIG-OAHLLOKOSA-N 298.386 3.521 30 20 CHED N#C[C@]1(C(=O)Oc2cccc(OC3CC3)c2)CC12CCCC2 857647563 OISRBAFJZUZOFE-SFHVURJKSA-N 297.354 3.607 30 20 CHED CC#CCOC(=O)Cc1csc2ccc(Cl)cc12 751846585 LSJBQGSNNJYNCA-UHFFFAOYSA-N 278.760 3.664 30 20 CHED CC(C)C#CC(=O)Nc1cc(Cl)ccc1OC(F)F 854987026 IIWIYWIAGLNXIY-UHFFFAOYSA-N 287.693 3.539 30 20 CHED CCCCC(CC)=NNc1nc(O)c2ccccc2n1 757588147 AOXXAFGJDNCDFD-UHFFFAOYSA-N 272.352 3.704 30 20 CHED CCC1(CC)C(=NNc2cccc(C#N)c2)C[C@@H]1OC 762603090 IWOWRRYNFJFYDN-HNNXBMFYSA-N 271.364 3.551 30 20 CHED COc1ccc(C(C)=NNc2c(C)cccc2F)cc1 769839374 BWNXYYXPITWAAB-UHFFFAOYSA-N 272.323 3.979 30 20 CHED COCCCCON=Cc1ccc(C(C)(C)C)cc1 760344019 ZWADLIRDWWXPNA-UHFFFAOYSA-N 263.381 3.761 30 20 CHED COc1ccsc1/C=C1/CCCC(C)(C)C1=O 764443225 WAQPACZYBAJZRJ-KTKRTIGZSA-N 250.363 3.919 30 20 CHED CON(CCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 932536279 CVSHTULRSTWVCH-NSHDSACASA-N 286.297 3.934 30 20 CHED Cc1csc(C=NNc2c(F)cccc2Cl)n1 769826191 AVUGSWOUWPXOPQ-UHFFFAOYSA-N 269.732 3.690 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=Cc1cnc(C2CC2)o1 863108777 QWXKWQAFNJSIHZ-QGZVFWFLSA-N 297.402 3.743 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(F)cc1F 766772294 PJZIOGIOAHAGLS-GQCTYLIASA-N 273.282 3.818 30 20 CHED CSc1cc(C(=O)OCCCCC(C)(C)C#N)ccn1 768641968 YGNLXMAOYXAURL-UHFFFAOYSA-N 292.404 3.680 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl 767253596 CNDLMDKLOZZJGB-NXEZZACHSA-N 284.186 3.577 30 20 CHED COc1ccccc1[C@H](C)N(CCC(C)(C)C#N)OC 932544740 GIBHDQKVFDUTIV-ZDUSSCGKSA-N 276.380 3.559 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(OC(C)C)cc1 860198244 VPQZPISIRUWNHW-UHFFFAOYSA-N 289.375 3.847 30 20 CHED FC(F)(F)CON=Cc1cccc(Cl)c1Cl 764836774 ZEBUBTQPGBDZRD-UHFFFAOYSA-N 272.053 3.906 30 20 CHED N#CC1(COC(=O)Cc2cc(Cl)cc(Cl)c2)CCC1 860252860 XGAKNJZKYAULNB-UHFFFAOYSA-N 298.169 3.773 30 20 CHED CCCCCCCCCCC(=O)N1C[C@H]2C[C@H]2C1 862553127 HKLSXKYBSDOYIL-GASCZTMLSA-N 251.414 3.996 30 20 CHED FC(F)(F)C1CCC(=NN=c2cc[nH]cc2Cl)CC1 766025711 SXFZBPGSXISWFW-UHFFFAOYSA-N 291.704 3.677 30 20 CHED CCOc1cccc(C(=O)OCCCCC(C)(C)C#N)c1 768631704 YHWAOMKOPOQQCN-UHFFFAOYSA-N 289.375 3.962 30 20 CHED N#C[C@H](OC(=O)c1ccoc1Cl)C1CCCCC1 768941443 TWVFOQDXYJBMAV-NSHDSACASA-N 267.712 3.562 30 20 CHED C#CCCOc1ccc(CNCCCCC=C)cc1 769936789 PVCKIVVPWKINTM-UHFFFAOYSA-N 257.377 3.535 30 20 CHED Cc1nc2cc(NC[C@H](C)CCC#N)ccc2s1 877190042 VSNNVCZPSFTUSB-SNVBAGLBSA-N 259.378 3.957 30 20 CHED C#CCCc1noc(/C=C\c2cc(C)c(C)cc2C)n1 762000512 HASPPOGPSVUWPU-HJWRWDBZSA-N 266.344 3.731 30 20 CHED CC(C)CCN(CCC#N)Cc1occc1Br 769334764 FXQLGLQSTSOLPX-UHFFFAOYSA-N 299.212 3.804 30 20 CHED CC(=NNc1ccncn1)c1ccc(C2CCC2)cc1 872380464 IUTRPJKTRVXYDJ-UHFFFAOYSA-N 266.348 3.580 30 20 CHED C(CCc1ccc2c(c1)OCCO2)=NOC1CCCCC1 777456959 JGFOFEUAMCBOQT-UHFFFAOYSA-N 289.375 3.726 30 20 CHED CCCCN(CC)CC[C@](C#N)(C(C)=O)c1ccccc1 877908177 QGDKHAFTLGJWII-SFHVURJKSA-N 286.419 3.549 30 20 CHED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 773255725 ODMVKKOXJMVHKB-LBPRGKRZSA-N 290.432 3.790 30 20 CHED COc1ccccc1[C@@H]1CCCN1CCCCC#N 69084399 YLSXACPOQUYGMG-HNNXBMFYSA-N 258.365 3.526 30 20 CHED CCc1nc(C)c(NC(=O)/C=C/c2ccccc2C#N)s1 778176985 LFXTYBWXQAMIBT-CMDGGOBGSA-N 297.383 3.538 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccccc3Cl)o2)s1 1118353925 UXBGDQGDFPRGCK-UHFFFAOYSA-N 287.731 3.990 30 20 CHED CCCCC[C@H](CC)C(=O)OCc1ccc(C#N)cn1 1116793649 ZMDLNOHKYFMFFI-AWEZNQCLSA-N 274.364 3.603 30 20 CHED CC(C)Oc1ccc(NC2CC(OC(C)C)C2)cc1C#N 779165568 JBFKPCCCJQRXIH-UHFFFAOYSA-N 288.391 3.713 30 20 CHED COC(=O)c1cccc(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)c1 779826634 ADADOZMURZGXHO-IAQYHMDHSA-N 298.342 3.636 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C1/CC[C@@H](C)C1 778985816 WEEDXPZIQVYEOD-JNINTMOKSA-N 273.376 3.583 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C\C1CCCCC1 770237746 PVTLKLTYUPEPLC-KHPPLWFESA-N 268.360 3.942 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 889969094 BZRMIZSHAPQNLS-ZWKOTPCHSA-N 299.414 3.769 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(F)cc1F 777906708 LFDWVIPBHCKDOZ-UHFFFAOYSA-N 281.693 3.849 30 20 CHED N#CCc1cccc(NC(=O)CCc2cccc(Cl)c2)c1 1128980492 BLILRZOWYQWUJH-UHFFFAOYSA-N 298.773 3.977 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 889608007 BXYIFFAYTHHHOF-MRXNPFEDSA-N 291.435 3.731 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc(Cl)nc1 783849201 NARJGHOTTZGLRP-GHMZBOCLSA-N 251.761 3.959 30 20 CHED COc1cc(NN=C(C)c2nccs2)ccc1Cl 788472258 QPWQWXVDXLOBOR-UHFFFAOYSA-N 281.768 3.641 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(N[C@H](C)C(C)C)c1C 781187007 LYCAWZUIXNUFDQ-KGLIPLIRSA-N 288.391 3.910 30 20 CHED N#Cc1ccc(NN=Cc2sccc2Cl)cc1 782199399 NORZBTQMWJHWHI-UHFFFAOYSA-N 261.737 3.719 30 20 CHED C#CCCN(Cc1sccc1Cl)CC(F)(F)F 787273399 DMENBMZIBNITHS-UHFFFAOYSA-N 281.730 3.789 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1ccc(OCC)cc1 782408821 OEMONHZJLKLKPH-AWEZNQCLSA-N 290.432 3.823 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 1124388797 MDWSOTFUVJQOFJ-CKEIUWERSA-N 285.387 3.859 30 20 CHED CC(=NNc1ncncc1Cl)c1coc2ccccc12 780282973 SLDUTXRTLFTRHS-UHFFFAOYSA-N 286.722 3.712 30 20 CHED C#CCCOc1ccc(CNc2ccc(F)cc2F)cc1 782532497 LIRDJTHZYQPJFO-UHFFFAOYSA-N 287.309 3.979 30 20 CHED C#CCCCOC(=O)c1ccc(C)c(C)c1Cl 783270980 KPGVIMITJLGPLR-UHFFFAOYSA-N 250.725 3.527 30 20 CHED C#CC[C@@H](OC(=O)c1cc2cccc(F)c2o1)C1CC1 783110563 MWMVPPQCLXLVTJ-CYBMUJFWSA-N 272.275 3.531 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(Cc1ccoc1)C1CC1 894027830 LSQIPSVZUASGSF-CYBMUJFWSA-N 276.380 3.698 30 20 CHED Cc1ccc(CCCC=NNc2ncc(F)cn2)cc1C 783863321 POMMCQDAVTWJMB-UHFFFAOYSA-N 286.354 3.653 30 20 CHED Clc1cncnc1NN=Cc1csc2ccccc12 780274960 HLGRMJAYOKGOKY-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CC/C(C)=C(\C)C(=O)OCc1ccc(CC#N)cc1 780031528 GYHRPLCMIVMGRR-OUKQBFOZSA-N 257.333 3.542 30 20 CHED C#CCC1(OC(=O)c2nc(-c3ccccc3)oc2C)CCC1 788069359 WKEGQWFNXMNSFX-UHFFFAOYSA-N 295.338 3.753 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1cccc(C#N)c1 783881482 ZXBXDXLUBQWQPH-UHFFFAOYSA-N 294.745 3.919 30 20 CHED CN(CCCCC(C)(C)C#N)CC[C@H]1CCCCN1C 409446533 ZHJPLEFMTNCCBA-MRXNPFEDSA-N 279.472 3.513 30 20 CHED Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 271460329 PQYLGWYESKAOBC-KBPBESRZSA-N 265.360 3.674 30 20 CHED CC(CCc1ccsc1)=NNc1ncccc1C 790191529 VWEKDPTXUSCZPQ-UHFFFAOYSA-N 259.378 3.872 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ncccc1Cl 703858347 FLXFUGNUAUMXMO-UHFFFAOYSA-N 279.126 3.839 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NNC1CCCC1 794856483 GDQJALWMRORYLG-UHFFFAOYSA-N 267.376 3.521 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1c(C)noc1C 797287461 YRUXOEHZCMWSKC-BQYQJAHWSA-N 271.316 3.505 30 20 CHED C=C(CC)COC(=O)[C@H](C)[C@H]1OCCc2sccc21 796490417 IKULZUKERHTIAD-BXUZGUMPSA-N 280.389 3.507 30 20 CHED N#Cc1ccc(F)c(CN[C@@H](C2CCCC2)C2CC2)c1 724003171 YSHMHTNVTJALRM-KRWDZBQOSA-N 272.367 3.756 30 20 CHED C=C(C)CCOC(=O)c1ccc(C(F)(F)F)s1 797080021 UDTATOTYLFBIMP-UHFFFAOYSA-N 264.268 3.890 30 20 CHED C=C1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1 731033223 XYHHLQRVWRXCTK-UHFFFAOYSA-N 277.236 3.534 30 20 CHED CCCCCCCCC[S@@](=O)[C@H]1CCCOC1 790210354 DHNXCRYXVQDZQK-WMLDXEAASA-N 260.443 3.665 30 20 CHED C[C@H](ON=Cc1cccc(F)c1)c1ccc(C#N)cc1 794714989 JJSZOWISZQNBMX-LBPRGKRZSA-N 268.291 3.809 30 20 CHED C#C[C@H](NC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C)C(C)C 798551907 ICAZUUWMDYUXCX-NXHRZFHOSA-N 298.430 3.540 30 20 CHED Cc1ccccc1C(=NNCCC(F)(F)F)C1CC1 794551547 GHPUPKWOGWDKHX-UHFFFAOYSA-N 270.298 3.651 30 20 CHED COc1ccc(Br)cc1OCC1(CC#N)CC1 598731099 XHHXDUHGIKDCBP-UHFFFAOYSA-N 296.164 3.530 30 20 CHED C=CCCCOC(=O)c1cscc1Br 797087022 KIPMAOVRDRMXCI-UHFFFAOYSA-N 275.167 3.634 30 20 CHED C[C@H](CCNCc1cc(C#N)cs1)c1ccccc1 93492586 LFNACEAQPLSEBA-CYBMUJFWSA-N 270.401 3.903 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2cc[nH]c2c1 1308391213 VQHWHUFOMXMIOJ-SFHVURJKSA-N 287.366 3.817 30 20 CHED CCC(CC)CN(CC)c1snc(Cl)c1C#N 1162886677 KDMXKYXBBJHJOO-UHFFFAOYSA-N 271.817 3.931 30 20 CHED Cc1nc(Oc2cccc3c2CCCC3)ccc1C#N 1639557824 AXHLBLLACYVGQO-UHFFFAOYSA-N 264.328 3.933 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1[nH]ccc1-c1ccccc1 1324731541 LUBBKDKNXGXXIU-OAHLLOKOSA-N 280.371 3.862 30 20 CHED C=CCC(C)(C)c1noc(-c2c[nH]c(Br)c2)n1 1324969199 PTHXWORNSBUDDM-UHFFFAOYSA-N 296.168 3.681 30 20 CHED Cc1ccc(CN2CCc3ccc(C#N)cc32)cc1C 1616942992 SVDMUNSLNCSFEI-UHFFFAOYSA-N 262.356 3.738 30 20 CHED Clc1ccnc(NN=C2CCC3(CCCO3)CC2)c1 1320646780 OAOTUBABUQBDNT-UHFFFAOYSA-N 279.771 3.626 30 20 CHED Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1N1CCCC1=O 1322130848 XUNAPYFOELERLG-HUUCEWRRSA-N 297.402 3.616 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(-n2cccc2)ccc1F 1328524335 KWUNZSNGYHWKFG-UHFFFAOYSA-N 287.338 3.656 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)C1(c2ccc(C)cc2)CCC1 1338330551 ZLUSUUMYNAEYHP-INIZCTEOSA-N 284.403 3.567 30 20 CHED C=C(C)CCC(=O)Nc1c(O)ccc(Br)c1C 1335935721 KFXJHRQLGNEOFD-UHFFFAOYSA-N 298.180 3.758 30 20 CHED Cc1ccc(NC(=O)CC#Cc2ccccc2)cc1C 1332889355 QRVBPXFSMABRTM-UHFFFAOYSA-N 263.340 3.684 30 20 CHED C#CCCCCCCNc1ccc(OCC#N)cc1 1330614151 IMLWMFTZHNYLRU-UHFFFAOYSA-N 256.349 3.585 30 20 CHED C=C(C)CCC(=O)NCc1cccc(C(F)F)c1 1349546353 JAHRHAQSBKNYGZ-UHFFFAOYSA-N 253.292 3.597 30 20 CHED C=CCCCC(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1263620376 SLTVIMNNXGAAGM-JTQLQIEISA-N 287.750 3.749 30 20 CHED COc1cccc([C@@H]2CCCN2C[C@@H](C)CCC#N)c1 1262006973 NVLZWOSOLUMSKW-YOEHRIQHSA-N 272.392 3.772 30 20 CHED CCCC[C@H](C(=O)O[C@H]1CC[C@H](C#N)C1)C(C)C 1263386644 YUYCINHAGPTLKU-IHRRRGAJSA-N 251.370 3.684 30 20 CHED C=CCCC[C@@H](N)C(=O)Nc1ccccc1SC(C)C 1263087492 IOUACLDQGSHMEB-CYBMUJFWSA-N 292.448 3.809 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)O[C@H]1CC[C@H](C#N)C1 1342690793 DNCHBIVYLPNWJM-YCPHGPKFSA-N 296.370 3.513 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1CC[C@@H](C)[C@H]1C 1343680442 WQECMEWCILXBHE-ZIAGYGMSSA-N 286.423 3.523 30 20 CHED CCC(C#N)(CC)C(=O)NCC12CC3CC(CC(C3)C1)C2 1264351285 WCQXYVOFQKFFDZ-UHFFFAOYSA-N 288.435 3.649 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCC[C@@H]1CCC 1340531518 QJZWEGCZRYIJTM-OLZOCXBDSA-N 294.468 3.657 30 20 CHED C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)C1(F)F 1348338634 MQKVGUHFHKNKLS-MRTMQBJTSA-N 298.358 3.518 30 20 CHED C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)[C@H](C)CC#N 103443695 POWJBXMRQGEDAO-MNOVXSKESA-N 296.823 3.581 30 20 CHED Cc1coc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1C 1357664920 WPLSZWNZLDMHJS-NSHDSACASA-N 288.372 3.966 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 1516739794 MEMBJSXJBSBBQY-CVEARBPZSA-N 291.366 3.518 30 20 CHED C[C@H](OC(=O)CCCC(=O)c1ccccc1)C(C)(C)C#N 1516903636 INUDOMKTIOMMRL-ZDUSSCGKSA-N 287.359 3.521 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2csc(C#N)c2)c1 1517417107 LFRBPJLZYPRBRJ-UHFFFAOYSA-N 270.357 3.513 30 20 CHED C=C(CC)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 1519847630 GWDPJLLLIXHDOW-LBPRGKRZSA-N 289.272 3.902 30 20 CHED C=C(CC)C(=O)N1CCCCC[C@H]1c1ccc(C)o1 1519564502 ZYBLWUGTACWBDB-AWEZNQCLSA-N 261.365 3.998 30 20 CHED CSc1ccccc1C(=O)Nc1cc(C#N)ccc1C 110387470 RQWCJBRQJYRHOV-UHFFFAOYSA-N 282.368 3.841 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1ccc(C#N)c(Cl)c1 110484423 GGIXIGHISLCMFV-MFKMUULPSA-N 264.756 3.581 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@@H]2CCc3cc(F)ccc32)c1 1528047898 PVXNHKMEFPQVEC-CQSZACIVSA-N 298.292 3.505 30 20 CHED CCC[C@@H](C(=O)N1CCCc2cc(C#N)ccc21)C(C)C 1526493367 ABBHXHQZVCIFOX-MRXNPFEDSA-N 284.403 3.910 30 20 CHED COc1ccc(NCc2cccc(C#N)c2F)cc1Cl 223727536 QGBCAVYSWFMBSA-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(F)c(C#N)c1 1526788117 CIJGPHJDULXHEC-AWEZNQCLSA-N 287.338 3.660 30 20 CHED Cc1cc(CN(C)CCc2ccccc2C)ccc1C#N 1462281486 UTFAXXXKGGNJTM-UHFFFAOYSA-N 278.399 3.850 30 20 CHED CCN(C(=O)c1cc(C)cs1)c1ccc(C#N)cc1 1532301856 BABXCAWYTNKDBY-UHFFFAOYSA-N 270.357 3.595 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](C(=O)O)c1ccccc1 1602856648 DYEBGBRDLKAUQD-HUUCEWRRSA-N 261.365 3.537 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(C[C@@H](C)C(=O)O)cc1 1604122793 CJBJUERXJDOKBN-OLZOCXBDSA-N 288.391 3.690 30 20 CHED N#Cc1nccc(N[C@@H](C2CCCCC2)C2CCC2)n1 1612528556 CANXXNMBIMZXMQ-INIZCTEOSA-N 270.380 3.509 30 20 CHED CCCOc1ccc(NC(=O)c2cccc(C#N)c2)cc1C 1543491072 UEXIGGZVADGGFF-UHFFFAOYSA-N 294.354 3.908 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)Nc1sccc1C#N)CC2 1476829145 QVZUMUBWVODRIC-CQSZACIVSA-N 297.383 3.737 30 20 CHED Cc1ccc(C#N)c(N2CCC(CCC(C)C)CC2)n1 1612109577 XXLBHGYLULVEKC-UHFFFAOYSA-N 271.408 3.914 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCCC[C@@H](C)C1 1705747749 UBTJLELEDCNMNP-GFCCVEGCSA-N 296.846 3.780 30 20 CHED Cc1nc(SCCC#N)c2c(C)c(C)sc2n1 5321633 HVHASGIFFLZCRQ-UHFFFAOYSA-N 263.391 3.622 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(F)cc1Br 119326679 CLVWSCKXSFFCLY-IUCAKERBSA-N 272.161 3.813 30 20 CHED COc1ccc(C#N)cc1NCc1cc2ccncc2s1 1560498085 RMLSENSMBGLFCH-UHFFFAOYSA-N 295.367 3.789 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2cccc3ccccc23)n1 1649164008 NFPNRKIWVSTJFE-LBPRGKRZSA-N 288.354 3.983 30 20 CHED CC[C@@H](CCc1ccccc1)Nc1ncccc1C#N 1642935836 BGQOWCRURLYXAG-INIZCTEOSA-N 265.360 3.777 30 20 CHED Cc1nc(N[C@H](C)Cc2ccccc2Cl)ccc1C#N 1654982938 ICBVVCQTNQNZKV-LLVKDONJSA-N 285.778 3.958 30 20 CHED CC[C@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 1651340497 AQOPCCDMYYJYEK-ZDUSSCGKSA-N 272.739 3.565 30 20 CHED CN(Cc1cccc(C#N)n1)c1ccc(C(C)(C)C)cc1 1659385210 GMFINHHZNMWFMI-UHFFFAOYSA-N 279.387 3.887 30 20 CHED C=CC[C@@H](SCc1ccc(OC)c(Cl)c1)C(=O)O 1588758796 JTHMFXNVZJETOM-GFCCVEGCSA-N 286.780 3.611 30 20 CHED C[C@H](CCC#N)CNC[C@@]1(c2ccccc2)CC1(C)C 1665299044 XYOXNHCQFMUKSD-CRAIPNDOSA-N 270.420 3.884 30 20 CHED Cc1cc(C)c2c(c1)CCN(Cc1ccc(F)c(C#N)c1)C2 1660721368 ZGDGXEWXGQNILO-UHFFFAOYSA-N 294.373 3.873 30 20 CHED C=CCC1(C(=O)O)CCN(CC2CCCCCC2)CC1 1776159222 WMVJLWKHXDCFPZ-UHFFFAOYSA-N 279.424 3.700 30 20 CHED C[C@@H]1/C(=C\c2ccc(/C=C\C(=O)O)o2)C(=O)c2ccccc21 1777407812 IFLXUNMERZPMBF-BHWUMFIJSA-N 294.306 3.761 30 20 CHED C=CCC1(C(=O)O)CCN(CCCC(C)(C)C)CC1 1776160423 AGCSWKMPOFBACM-UHFFFAOYSA-N 267.413 3.556 30 20 CHED C=CC(C)(C)CCN=c1c(C(=O)O)c[nH]c2ccc(C)cc12 1776147403 LWHKSFGWNYKNGH-UHFFFAOYSA-N 298.386 3.678 30 20 CHED CSc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 16976066 SYKRCWMDUPVYNE-NVNXTCNLSA-N 284.336 3.730 30 20 CHED C=CCC(CC=C)C(=O)N1CCOc2ccc(Cl)cc21 150940424 SIULCSATEHTQJB-UHFFFAOYSA-N 291.778 3.834 30 20 CHED CC(=C/c1ccccc1)/C=C1\Oc2cc(O)ccc2C1=O 206866384 UTIAZFXAUXAFRT-ABYSCFCFSA-N 278.307 3.955 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 158686977 AAZWGBAYALJENO-MRXNPFEDSA-N 294.398 4.000 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3ccccc3)n2c1 151374575 FUTLKRNTZBWLLT-CMDGGOBGSA-N 262.312 3.539 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@H](C)c1ccc(F)cc1F 152250522 CMHSNURACBFUMV-WDEREUQCSA-N 267.319 3.539 30 20 CHED C=C[C@H](C)NC(=O)CCc1cccc(OC2CCCC2)c1 154165821 DAFQAVXLCBXXGC-AWEZNQCLSA-N 287.403 3.631 30 20 CHED C=CCC[C@H](NC(=O)/C=C/C1CCOCC1)c1ccccc1 154224141 KHXVIYZYSHLYKK-ZGKFYVQTSA-N 299.414 3.793 30 20 CHED C=CCCN1CCC(CCN2CCCC[C@@H]2C)CC1 159051269 NBVYVIUGZIKLDD-INIZCTEOSA-N 264.457 3.539 30 20 CHED N#Cc1ccnc(Nc2ccc(C(F)(F)F)cc2)c1 19804422 CTSKLPUKLCREHB-UHFFFAOYSA-N 263.222 3.716 30 20 CHED C#CC1CCN(Cc2csc(-c3ccccc3)n2)CC1 830301627 RENALMWHVKIUHR-UHFFFAOYSA-N 282.412 3.655 30 20 CHED Cc1cc(C#N)nc(N2CCC[C@H]2c2ccsc2)c1 891842119 IOYWZPICNYQBBZ-AWEZNQCLSA-N 269.373 3.665 30 20 CHED COc1ccc(C#N)cc1COc1ccc(F)c(C)c1 135347759 FZHVNQPXDMNIHR-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C=CCCSCC(=O)N(Cc1ccccc1)C(C)C 151986369 RRISAQIUCIEFHJ-UHFFFAOYSA-N 277.433 3.733 30 20 CHED CN(Cc1cscn1)c1ccc(C(F)(F)F)c(C#N)c1 154084709 SUTNSMVUIHWOCW-UHFFFAOYSA-N 297.305 3.670 30 20 CHED COc1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1F 160141322 QKJZCMGIEMLLCG-NSHDSACASA-N 270.307 3.879 30 20 CHED Cc1nc(C)c(COc2cc(C#N)ccc2C)s1 268455691 SEQVAYOSLZYIBM-UHFFFAOYSA-N 258.346 3.519 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)ccc2F)CCCCC1 44385608 ZBIDSHWYICNBQA-UHFFFAOYSA-N 280.730 3.892 30 20 CHED C=CCNC(=O)Nc1ccc(SC(F)(F)F)cc1 48488753 FFIXDJYDCPXZLQ-UHFFFAOYSA-N 276.283 3.606 30 20 CHED CC[C@@H](CC#N)NC(=O)CCSc1ccc(Cl)cc1 183874296 VVKWRCJGIGYTBE-LBPRGKRZSA-N 296.823 3.631 30 20 CHED Cc1ccccc1CN(C)c1cccc(F)c1C#N 60991595 FLAZNZLMBCGDGJ-UHFFFAOYSA-N 254.308 3.642 30 20 CHED N#Cc1ccc(Sc2ccc3ccccc3c2)nn1 301943307 WAHLUOHZIZCWHT-UHFFFAOYSA-N 263.325 3.653 30 20 CHED C[C@@H](CCC1CC1)Nc1nc(Cl)c(C#N)s1 309522233 ASEWCTCEFXVXTM-ZETCQYMHSA-N 255.774 3.659 30 20 CHED C=C(C)COCCNCc1csc(Cl)c1Cl 309675789 LRPXCROZYGTTOZ-UHFFFAOYSA-N 280.220 3.737 30 20 CHED CC(C)(CC#N)CNC(=O)c1cc2ccccc2s1 315322612 ASABBFGPIRLAPS-UHFFFAOYSA-N 272.373 3.571 30 20 CHED CCc1ccc(NC(=O)C2(C#N)CCCC2)cc1Cl 520859877 JHOIIBOLSFWNCI-UHFFFAOYSA-N 276.767 3.925 30 20 CHED Cc1cccnc1CCCNc1cccc(Cl)c1C#N 450724198 MHRSJKWUUVYERJ-UHFFFAOYSA-N 285.778 3.960 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCCc3sccc32)c1 343618632 UAFUCVWRGUDTOA-MRXNPFEDSA-N 282.412 3.829 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(OC)cc1F 393816834 YDRPWEDFOCIZDX-NWDGAFQWSA-N 251.345 3.840 30 20 CHED CCOC1(C)CCN(CCCCC(C)(C)C#N)CC1 394021842 CAYNAJNORIAION-UHFFFAOYSA-N 266.429 3.597 30 20 CHED Cc1ncc(CN(C)Cc2ccc(C#N)cc2Cl)s1 400051669 AVWOCEYLAOCAIO-UHFFFAOYSA-N 291.807 3.609 30 20 CHED CCCCS[C@@H](C)C(=O)N(CCC#N)CC(C)(C)C 104627628 QMIBUSVATQBSCF-ZDUSSCGKSA-N 284.469 3.697 30 20 CHED N#Cc1cccc(NC(=O)NC2(c3ccccc3)CCC2)c1 51228290 OPKBFCAHKDNILM-UHFFFAOYSA-N 291.354 3.759 30 20 CHED C=C(C)CCOC(=O)c1cccc(NC(=O)c2ccco2)c1 174795503 TYKKPCXXEPVFPJ-UHFFFAOYSA-N 299.326 3.655 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C 171241384 MMGBGZMQNIJFGC-CRAIPNDOSA-N 298.430 3.918 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C[C@@H](c1ccccc1)C(C)C 103070820 MFTMSVXVSBBRTM-DOTOQJQBSA-N 286.419 3.824 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccs1 104542890 LUBQAAIMDFXMKF-UHFFFAOYSA-N 264.394 3.540 30 20 CHED C[C@@H](CC1CCCC1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 114617345 HHZWFUMKIBGFCG-GXTWGEPZSA-N 295.386 3.956 30 20 CHED N#CC1(C(=O)NCC2(c3ccccc3)CCCC2)CCCC1 25082575 MJGRBIQNVRJJBB-UHFFFAOYSA-N 296.414 3.699 30 20 CHED C#CCCCCC(=O)N[C@@H](CCC)Cc1ccccc1 119797858 VQSLDOJQOGCZBL-KRWDZBQOSA-N 271.404 3.708 30 20 CHED CC[C@@H](C)Oc1cc(CNc2ccc(C#N)cc2F)ccn1 302834533 UCWFGKCWSMIDTF-GFCCVEGCSA-N 299.349 3.882 30 20 CHED C#CCN(Cc1scnc1C)[C@H]1CCc2ccccc21 179204535 UPKJBXDRMBPOPE-INIZCTEOSA-N 282.412 3.574 30 20 CHED C#CCCCNC(=O)c1cc(C)n(C2CCCCC2)c1C 172938159 JOQXYZHDAKGDKC-UHFFFAOYSA-N 286.419 3.753 30 20 CHED C=CCCCC(=O)N[C@H](C)c1cccc(OCC)c1 175466400 UZJOJISSZRWLKZ-CYBMUJFWSA-N 261.365 3.619 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)/C(C)=C/c1ccc(C)cc1 1340891221 HBFWEPFKOQAXSU-UKYUDJEDSA-N 270.376 3.549 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC1CCC1)c1ccccc1 175396529 RHEBKXGNUNTCIX-OAHLLOKOSA-N 287.403 3.801 30 20 CHED C=CCC[C@@H](Nc1nccc(OC)n1)c1ccccc1 301769918 IRPJWBDGBSVKAQ-CQSZACIVSA-N 269.348 3.605 30 20 CHED C=C(CC(C)C)C(=O)NCc1ccc2[nH]c(C)cc2c1 1263825487 XVGIJYIGSJFEOG-UHFFFAOYSA-N 270.376 3.695 30 20 CHED C=CCN(C(=O)c1ccccc1C)c1ccccc1 60525504 XFVUFOOBRBSMSV-UHFFFAOYSA-N 251.329 3.828 30 20 CHED CC(C)CCn1ccc(Nc2snc(Cl)c2C#N)n1 302053612 YLXWGTTXPGTMMM-UHFFFAOYSA-N 295.799 3.654 30 20 CHED N#Cc1cc(F)ccc1CSCCOCC(F)(F)F 173810101 YFHCYYGVQXWGQE-UHFFFAOYSA-N 293.285 3.509 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2ccccc2n1C 63962429 LHHOKCBJDPNJEP-UHFFFAOYSA-N 289.338 3.611 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C)[C@H]1C 179829755 MUOOVIJWPHHGBV-WCQYABFASA-N 271.364 3.519 30 20 CHED CCS[C@H](C(=O)Nc1sc(C)c(C)c1C#N)C(C)C 66269775 XSWSFZGXACQXPO-LBPRGKRZSA-N 296.461 3.953 30 20 CHED C=C[C@@H](C)Nc1ncnc2sc3c(c12)CCCC3 301586382 BGLICSGILFCGTM-SECBINFHSA-N 259.378 3.557 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CC)c1ccccc1OC(F)F 128500904 QOVIBVUWHFGJOU-PWSUYJOCSA-N 298.333 3.613 30 20 CHED CC(C)c1ccc(/C=N/OCc2noc(C(C)C)n2)cc1 67097297 CZZDROBDAXNFNL-RQZCQDPDSA-N 287.363 3.867 30 20 CHED CCCc1ccc(CN(CCC#N)CC2CC2)cc1 353414503 BGEZEVJIEKRIAA-UHFFFAOYSA-N 256.393 3.765 30 20 CHED N#Cc1cccc(CN2CC=C(c3ccc(F)cc3)CC2)c1 39199294 PNMMJDJHSWSPLL-UHFFFAOYSA-N 292.357 3.987 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C#N)cc1 127814447 RVRHWTGDTPGNKG-DOMZBBRYSA-N 271.364 3.601 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1ccc(F)c(F)c1 78452071 MAAFMRGELDRWGH-UHFFFAOYSA-N 295.333 3.758 30 20 CHED Cc1ccc(Nc2ccccc2C(=O)N(C)CCC#N)cc1 78263075 YCQUQMSMCSWVOW-UHFFFAOYSA-N 293.370 3.724 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@]1(C)CCC[C@H]1C 410590800 LXOXNZGTFYDGRV-BZNIZROVSA-N 256.349 3.632 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1ccc(C#N)cc1 505320788 ZPEOQYBMRVWGIK-UNEWFSDZSA-N 299.418 3.887 30 20 CHED CCN(CC)Cc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 185785296 USVNPJLEWHBFIF-QFBILLFUSA-N 299.462 3.700 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](CC)c1ccc(F)cc1F 125898174 RVVQFPQWNVRATB-IAQYHMDHSA-N 297.345 3.513 30 20 CHED C=C(C)CCc1noc(C2(c3cccc(C)c3)CC2)n1 508688823 YEMLLAFAAIIWIC-UHFFFAOYSA-N 268.360 3.967 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC)cc1 181040792 NWTFHQQYCUZRDX-GFCCVEGCSA-N 262.353 3.562 30 20 CHED CC(C)[C@H](C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 505832854 NGEDJOPIVPFRFM-BBRMVZONSA-N 286.419 3.957 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@]1(C)CC 125558778 JUYNYNSMUMMIPT-FUHWJXTLSA-N 282.387 3.509 30 20 CHED COc1ccc(C#N)cc1NCc1cc(F)ccc1Cl 438313070 DETDIDJMECSGBI-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@@H](NCc1ccc(Cl)cc1C#N)c1cccc(O)c1 187424217 XPQMLDRMTSEIOL-LLVKDONJSA-N 286.762 3.768 30 20 CHED C[C@H]1C[C@@H](C)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412204991 JEFGVSWQBKHJCU-DFEHZGFQSA-N 296.414 3.556 30 20 CHED N#Cc1c(F)cccc1NCc1nccc2ccccc12 73350054 OGSMLHAONPWYCB-UHFFFAOYSA-N 277.302 3.858 30 20 CHED N#CCCCN1CCc2c(Cl)cc(Cl)cc2C1 128975711 ILRLOYAOVZWKTM-UHFFFAOYSA-N 269.175 3.655 30 20 CHED C[C@H](OC(=O)[C@H](C)c1ccccc1)c1ccc(C#N)cc1 126675010 MPIMWZMTJFNLCO-KGLIPLIRSA-N 279.339 3.966 30 20 CHED C=C(C)CCN1CCn2cccc2[C@@H]1c1ccccc1 509380044 RAPVHNNXEIIVEZ-SFHVURJKSA-N 266.388 3.859 30 20 CHED C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1 489798159 DHEBCFQABMGPJI-RNCFNFMXSA-N 268.282 3.550 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Oc2ccccc2)nc1 128977208 BRSQPLMSZUXQJT-UHFFFAOYSA-N 296.370 3.912 30 20 CHED Cc1ccccc1CCC(=O)N[C@H](C)c1cccc(C#N)c1 75272514 WCGHMXATGRVIHI-OAHLLOKOSA-N 292.382 3.677 30 20 CHED CC1(C#N)CCC(NCc2cnccc2C(C)(C)C)CC1 414225268 IPRPHKVEPDFYGU-UHFFFAOYSA-N 285.435 3.941 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)s1 182025277 UXRUITVNHRCLMT-SNVBAGLBSA-N 286.356 3.600 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c1 210605653 GXTSIQRWIVFTRP-KTKRTIGZSA-N 267.284 3.799 30 20 CHED CN(C(=O)c1cc(C#N)cs1)c1ccc(F)c(Cl)c1 180211316 XAHCAWULONZDMP-UHFFFAOYSA-N 294.738 3.689 30 20 CHED C#CCCCCC(=O)N[C@H]1CCCc2ccc(F)cc21 120078638 VJTRFTPMJDPRAL-INIZCTEOSA-N 273.351 3.513 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCC(F)(F)C2)c(F)c1 281968249 JVRVOASDLCTRNZ-GFCCVEGCSA-N 282.309 3.612 30 20 CHED C=CCNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 77518469 RFNCTVQENCEYJW-AWEZNQCLSA-N 272.392 3.745 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccc(C#N)s1 131306871 DEBQTQWIYQKGQV-CXAGYDPISA-N 282.412 3.998 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1cccc(CC#N)c1 42198985 FPJGBDSFEINJLZ-AWEZNQCLSA-N 272.392 3.697 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1CC(F)(F)F 181758739 FJXSAPCLMSBHSW-UHFFFAOYSA-N 286.297 3.831 30 20 CHED Cc1ccc2c(c1)N(c1c(C#N)nnc3ccccc13)CC2 77213942 ZNGVLDFLLFWOCU-UHFFFAOYSA-N 286.338 3.504 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2ccc(CC#N)cc2)cc1 185154678 BZARCKBTHIFTRW-CQSZACIVSA-N 291.354 3.656 30 20 CHED Cc1ccccc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 130774661 AJLMALGDPMXAIT-UHFFFAOYSA-N 294.354 3.906 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(C)cc2)cc1 49893825 HEVFEKIYAYRLIL-GOSISDBHSA-N 292.382 3.894 30 20 CHED CCN(CCC#N)Cc1c(Cl)cccc1Cl 42454439 YJBLGFRWIITQRK-UHFFFAOYSA-N 257.164 3.729 30 20 CHED Cc1cc(C(=O)Nc2ccc(CC#N)cc2)cc(C)c1F 134110084 RAHQYYIYJXFIMF-UHFFFAOYSA-N 282.318 3.761 30 20 CHED CC(C)CN(CC[C@H](C)F)Cc1ccc(C#N)cc1 509309338 FEQYGEUPXWKHRT-AWEZNQCLSA-N 262.372 3.764 30 20 CHED C=CCC[C@H](C)NCc1ccc(CN(CC)CC)cc1 130531093 WAKXMCGROFUNDI-INIZCTEOSA-N 274.452 3.973 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(Cl)s1 49151556 XEWFUSXMTOVOFU-GQCTYLIASA-N 280.780 3.648 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccccc1Cl 44764977 MNJLOXDLXKNLQX-UHFFFAOYSA-N 250.729 3.608 30 20 CHED N#Cc1cncc(Oc2ccc(OC3CCCCC3)cc2)n1 420589833 VGRYQOCTZCKTFP-UHFFFAOYSA-N 295.342 3.852 30 20 CHED COCc1ccc(/C=C/C(=O)c2cccc(F)c2)cc1 132410468 PTULPYUTJLRFCF-MDZDMXLPSA-N 270.303 3.868 30 20 CHED C#CCCCCC(=O)Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 192404221 MBYBXDCLXGYEPC-MAUKXSAKSA-N 296.414 3.807 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@H]2CCC[C@@H]21 426469780 RKBXURWBYCNEJW-ABAIWWIYSA-N 260.768 3.586 30 20 CHED C=CCCCCCSc1nnc(C)c(C)c1C#N 195437110 AVYOEYGCNSWGDC-UHFFFAOYSA-N 261.394 3.804 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1/N=C(/O)c1snnc1C1CC1 329772615 KTVJOPLBAAZVKU-MWLCHTKSSA-N 293.436 3.935 30 20 CHED CO[C@@H]1CC[C@H](Nc2nc3c(cc2C#N)CCCC3(C)C)C1 428226349 GXPLLUWXJLUTEL-LSDHHAIUSA-N 299.418 3.547 30 20 CHED CSC(C)(C)CNc1ccc(Br)cc1C#N 130460971 CJPCZOQHWTZWCU-UHFFFAOYSA-N 299.237 3.874 30 20 CHED N#Cc1cccc(CNC[C@H]2CCC3(CCCCC3)O2)c1 229274360 GZZNWCGQSUFCCG-QGZVFWFLSA-N 284.403 3.530 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)s1 131307504 DEBQTQWIYQKGQV-GUYCJALGSA-N 282.412 3.998 30 20 CHED C=CCNc1ccc(OCc2cccc(C#N)c2)c(F)c1 89104745 QFLNMCKTPGUYFR-UHFFFAOYSA-N 282.318 3.874 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2nc(C)ccc2c1 337092097 MADCJJSTXVHAAJ-HNNXBMFYSA-N 268.360 3.628 30 20 CHED C=CCSCCN[C@@H](C)c1ccc2c(c1)CCC2 221938660 UOTQVJMIVGACQV-ZDUSSCGKSA-N 261.434 3.745 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H](CC(F)(F)F)C1 420833939 MSGBZMSJTNPNKL-LBPRGKRZSA-N 292.345 3.717 30 20 CHED Cc1csc([C@H](N[C@H]2CCC[C@H](C#N)C2)C2CC2)n1 192902327 KFRYZAUQXRSDMV-FPMFFAJLSA-N 275.421 3.575 30 20 CHED C=C(C)COc1cccc(NC(=O)c2occ3c2CCC3)c1 511493090 GLSWQNLDVHHGOW-UHFFFAOYSA-N 297.354 3.976 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(Cl)c1 191689052 RYWFFWRGYDORND-WBMJQRKESA-N 290.794 3.851 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/CCC1=CCCC1 330008992 FVZMMRSAUDILJH-UHFFFAOYSA-N 274.364 3.741 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H](CC(F)F)c2ccccc2)C1 421378553 VKGZMCMDTNIVJX-MRVWCRGKSA-N 264.319 3.665 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CCCC1(F)F)CC2 334672211 SLAMCYLAZHKHLC-HIFRSBDPSA-N 276.330 3.571 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1ccsc1 421893827 XHYABCILMPBCLV-CYBMUJFWSA-N 262.403 3.922 30 20 CHED Cc1ccccc1[C@H]1CCN(C(=O)c2sccc2C#N)C1 336500199 RCGYNXWILIBKIO-AWEZNQCLSA-N 296.395 3.558 30 20 CHED CC[C@H](NCc1cc(C#N)cs1)c1ccccc1 93492576 FUVAKRAHPLUSME-HNNXBMFYSA-N 256.374 3.861 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3ccnc(C#N)c3)C2)cc1 516884817 SODAYVCCSGIPMD-HOCLYGCPSA-N 277.371 3.644 30 20 CHED C=CCC[C@H](O)CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 337514242 KSQAWLAMDTZPBH-QRVBRYPASA-N 283.415 3.634 30 20 CHED N#CC1CCN(c2ccc3c(Cl)cccc3n2)CC1 336505536 ZISWKAROUYLEDR-UHFFFAOYSA-N 271.751 3.628 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cn1)c1ccc(Cl)s1 92489012 QJYWSDCWMLHRDN-QMMMGPOBSA-N 292.747 3.586 30 20 CHED C[C@@H]1CC[C@@H](C(O)=Nc2nc3ccsc3s2)O1 330081538 JZYZQRIKNLKAQV-SVRRBLITSA-N 268.363 3.513 30 20 CHED CC[C@H](CC#N)N[C@@H](C)CCc1c(F)cccc1F 338933789 LPEMHARQRSLUGJ-NWDGAFQWSA-N 266.335 3.568 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@@H](CC2CC2)C1)c1ccccc1 516334579 GHQYMGNAECMYNM-IRXDYDNUSA-N 283.415 3.995 30 20 CHED N#CC1(CCCN2CCCC3(CCCC3)C2)CCOCC1 337200233 FCJRGXWDLDMZRB-UHFFFAOYSA-N 290.451 3.743 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc(Cl)cc1 335187232 DETHGEOHGOTSIN-UHFFFAOYSA-N 270.719 3.658 30 20 CHED Cc1cc(N/C(O)=N/C[C@]2(C)CCOC2)cc(C)c1Cl 331286584 YLNVFXPVZYOQND-HNNXBMFYSA-N 296.798 3.709 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-n2cccn2)c(F)c1 431341624 LBKAREGABWSMFZ-UHFFFAOYSA-N 287.338 3.552 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1cc2ccccc2s1 430380314 WIVPHGYLOCMMEN-NSHDSACASA-N 274.389 3.838 30 20 CHED CC(C)c1ccc(/C(O)=N/[C@@H](C#N)C(C)(C)C)c(O)c1 331234894 KUVUSYQXOQOWAW-AWEZNQCLSA-N 274.364 3.758 30 20 CHED CC[C@H](NCc1ccnc(C#N)c1)c1cc(C)ccc1C 528801425 NLYCTWIPROBJNH-SFHVURJKSA-N 279.387 3.811 30 20 CHED C[C@@H]1CC(CCNc2nccc(C#N)c2Cl)C[C@@H](C)O1 343154036 OKZCMNWMWIZOKG-GHMZBOCLSA-N 293.798 3.612 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCCOc2ccc(F)cc21 344059594 ZHVSUVVWECIDLQ-YOEHRIQHSA-N 291.366 3.758 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccnc(OC3CCCCC3)c2)C1 521531462 KAWVYBLUADGSHL-GDBMZVCRSA-N 299.418 3.575 30 20 CHED C=CCCCSCCC(=O)Nc1cc(F)cc(F)c1 437267025 HVLFCALBUHTQMH-UHFFFAOYSA-N 285.359 3.993 30 20 CHED CN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1cc(Cl)ccc1C#N 246210965 YKMWKZIJHMSOHZ-MJVIPROJSA-N 288.778 3.611 30 20 CHED Cc1cc(C)cc(CCNc2nc(C)ccc2C#N)c1 346850212 NDHOGILDQBUVOH-UHFFFAOYSA-N 265.360 3.533 30 20 CHED N#CCCN(CC1CC1)C(=O)CCc1cc2ccccc2o1 349388107 UUADGEOUIGJSPD-UHFFFAOYSA-N 296.370 3.518 30 20 CHED CN(Cc1c(F)cccc1Cl)c1c(C#N)cccc1C#N 436260642 MTYPEXXWZPMQTF-UHFFFAOYSA-N 299.736 3.859 30 20 CHED N#CCC[C@@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 343336833 ZFBKWNGECKCMJW-NANBGGJNSA-N 296.414 3.974 30 20 CHED C=CCN(CCC#N)Cc1ccc2cc(OC)ccc2c1 430090751 PBUKTXYOHKOIND-UHFFFAOYSA-N 280.371 3.750 30 20 CHED C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 245925921 OFKXTSNZMQNPII-BVGQSLNGSA-N 292.382 3.704 30 20 CHED N#CCC[C@H](N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 246578387 YLWAZXGNPJKKFJ-QSPRXWTASA-N 254.377 3.810 30 20 CHED COc1ccc(-c2ccc(CC3(CN)CC3)cc2)c(C#N)c1 600788921 BSNZLUNZHFHNBW-UHFFFAOYSA-N 292.382 3.515 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 529475439 XWXWPEYFAGAKFW-IHRRRGAJSA-N 264.413 3.647 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NCC2CC=CC2)cc1 528898582 CRDASUVQCHAPPV-UHFFFAOYSA-N 283.375 3.575 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ccnc2ccsc12 435603092 GUBUVMHZBUBRLX-SMDDNHRTSA-N 274.389 3.689 30 20 CHED C=CCCCN1CCC[C@@H]1Cc1cccc(OC)c1 605150130 WFPLZEFDINCCJF-MRXNPFEDSA-N 259.393 3.668 30 20 CHED CC1(C)CN(C(=O)c2ccccc2CC#N)c2ccccc21 601311096 XZANVPYXMRBOIL-UHFFFAOYSA-N 290.366 3.691 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCC(C)(C)[C@@H]1CC=C 347481722 KGSAZWIZKGOOJN-GJZGRUSLSA-N 279.424 3.561 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CCCC[C@H]1C 602522408 TZVLPBFMSPSGKE-BZUAXINKSA-N 278.440 3.501 30 20 CHED Fc1ccc(C=NOCc2ccc(F)c(F)c2)cc1 255504570 ODWRIXFUFVQUQB-UHFFFAOYSA-N 265.234 3.655 30 20 CHED C[C@H](CCC#N)CNCC1(c2cccc(Cl)c2)CC1 602557344 ZLHMKNJSHCBCFA-CYBMUJFWSA-N 276.811 3.901 30 20 CHED CCCN(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 343203677 YROVAFUTYTXABJ-UHFFFAOYSA-N 294.354 3.833 30 20 CHED CCSCc1ccnc(NC[C@@H](C)CCC#N)c1 602577524 PUUSLIHDXDMXGM-LBPRGKRZSA-N 263.410 3.686 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 603621302 HIXWUEQATAKWOM-XOKHGSTOSA-N 282.387 3.599 30 20 CHED N#CC1(CC(=O)Nc2ncc(F)cc2Cl)CCCCC1 602361763 DXIDUXDIHZIKOI-UHFFFAOYSA-N 295.745 3.677 30 20 CHED C=CCCCN(C)CCc1ccc(Br)cc1 605150865 SEPRFUPEMZFTHQ-UHFFFAOYSA-N 282.225 3.890 30 20 CHED C[C@H](CCC#N)CN[C@H]1c2ccccc2CC[C@H]1C 602578939 PZBWNEMMGYELOX-CKEIUWERSA-N 256.393 3.839 30 20 CHED C=CCCO[C@@H](C)c1nc([C@H]2CCc3ccccc32)no1 356658763 ZRXNQYIQCAALMV-WFASDCNBSA-N 284.359 3.801 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CC#N)cc1 536102861 GTOADNAPNWPBJI-WBVHZDCISA-N 284.403 3.841 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C2CC2)c(C)c1 354898536 JPJJHJHYTHVHDC-INIZCTEOSA-N 256.349 3.751 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2ccoc2)cc1 356619794 JMHUHUKGAHEWLR-MRXNPFEDSA-N 296.370 3.501 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1ccc(Cl)cc1Cl 447317238 CESSWPAAJFJASX-JQWIXIFHSA-N 288.218 3.971 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(F)c(F)cc(F)c1F 538331367 GNBCSQFGYPCCIJ-QMMMGPOBSA-N 289.272 3.718 30 20 CHED C=C(C)CN(CC)C(=O)CNc1cccc(SC)c1C 537039421 SPJWVBOXYHRAJG-UHFFFAOYSA-N 292.448 3.553 30 20 CHED C[C@H](CC#N)N(C)C(=O)/C=C/c1cc(Cl)ccc1Cl 264012048 BISRUGCJSXZSFG-QLCVYAKKSA-N 297.185 3.767 30 20 CHED C[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)c2ccccc21 448709990 CCNUACCZDFDNCU-FZKQIMNGSA-N 280.371 3.611 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(OC3CCCC3)nc2)C1 446814182 JPZNYMQGLBJKNF-KBPBESRZSA-N 285.391 3.897 30 20 CHED N#CC1CCN(Cc2cnc(C3CCCCC3)s2)CC1 535083484 UFLMJCHIVGMCRB-UHFFFAOYSA-N 289.448 3.926 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc3cc(F)ccc3o2)C1 612405653 CBUVKPRYLWJWDZ-INIZCTEOSA-N 272.323 3.698 30 20 CHED C=CC[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 537835270 ZJGKLIOLCWDHMD-QMMMGPOBSA-N 272.251 3.573 30 20 CHED N#Cc1cccc(C2(NCc3ccc4cnccc4c3)CC2)c1 618729084 DTRZKZBJDPJOAQ-UHFFFAOYSA-N 299.377 3.885 30 20 CHED CC1=C(C(=O)NC2(C#N)CCCCC2)CCC(C)(C)C1 448843635 JQYZHQPKVDJVPP-UHFFFAOYSA-N 274.408 3.856 30 20 CHED C[C@@H](CCc1ccc(F)cc1F)NCCCCC#N 353492050 NDPSXCAKRZYSRR-LBPRGKRZSA-N 266.335 3.569 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC)c1cccc(Cl)c1F 359416899 JDKKGUFAIHXSGQ-RISCZKNCSA-N 285.790 3.704 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1cccc(C#N)c1 612045958 UASDYKUGQIDWFF-KBPBESRZSA-N 278.355 3.539 30 20 CHED C=CC[C@@H]1N(C(=O)NCC=C(C)C)CCCC1(C)C 447807887 URCCXMCVAPHQCX-AWEZNQCLSA-N 264.413 3.729 30 20 CHED C[C@@H](NCc1cccc(C#N)c1F)c1c(F)cccc1F 537026078 TXLXVWYORDWMHW-SNVBAGLBSA-N 290.288 3.826 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(CCC#N)CC(C)(C)C 535616560 LXQFNPYSEGJMEG-CYBMUJFWSA-N 266.429 3.847 30 20 CHED C=CCC1(NC(=O)CCCc2nccs2)CCCCC1 456365277 KXLHGEMMNKBHHQ-UHFFFAOYSA-N 292.448 3.861 30 20 CHED COC[C@@H](c1ccc(Cl)cc1)N(C)CCCCC#N 278854903 FYDLFKQBCYULBH-HNNXBMFYSA-N 280.799 3.653 30 20 CHED CC[C@@H](NCCOCC1CCCC1)c1ccc(C#N)cc1 453378856 AIENFIVPZXJSEP-GOSISDBHSA-N 286.419 3.806 30 20 CHED N#Cc1nnc2ccccc2c1Oc1cccc(Cl)c1 610128505 SKMSNTWKKADANY-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CC(C)Oc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1 612163832 URIRCROJKSGHAA-KRWDZBQOSA-N 272.392 3.599 30 20 CHED C=CCC1(CNC(=O)CCCCSC)CCCC1 456488981 SYDWLCMHQOOTTE-UHFFFAOYSA-N 269.454 3.772 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)OCC 270367099 SSEILYGQBZBEDZ-CJNGLKHVSA-N 287.359 3.534 30 20 CHED N#Cc1ccc(NC(=O)N2CCC(C3CCCC3)CC2)cc1 610317346 XESWKPWJQRYFDR-UHFFFAOYSA-N 297.402 3.992 30 20 CHED C[C@H](Cc1c(Cl)cccc1Cl)NCCCC#N 273249081 KTVQHONONWOWTK-SNVBAGLBSA-N 271.191 3.818 30 20 CHED C#CCCCC(=O)Nc1cc(-c2cccnc2)ccc1C 366557792 GDZFNADKNWXUOV-UHFFFAOYSA-N 278.355 3.799 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(Cl)cc1Cl 452774443 DUZBWCFPYJTDMZ-UHFFFAOYSA-N 272.175 3.935 30 20 CHED C=CCCCCNC(=O)c1cnc(C)c(Cl)c1Cl 274672833 YFBYPGGDCXSJSM-UHFFFAOYSA-N 287.190 3.783 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CCC)c1ccsc1 453355219 NQZLBFUCJNCIDW-KFWWJZLASA-N 265.422 3.913 30 20 CHED C=CCC1(CNC(=O)N(C)Cc2ccoc2C)CCCC1 454694714 FXIMNFXCZVWEBM-UHFFFAOYSA-N 290.407 3.866 30 20 CHED C=C(C)CCNC(=O)CCCc1ccccc1Cl 452720069 VRCCSBZSKQQLSB-UHFFFAOYSA-N 265.784 3.745 30 20 CHED Cc1cc(F)cc2c(N[C@@H]3CCCOCC3)c(C#N)cnc12 271920582 UKVBDRMMJQLNFY-CQSZACIVSA-N 299.349 3.535 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 626066660 NMOIZTHATINSJV-ZETCQYMHSA-N 293.672 3.543 30 20 CHED C[C@H](Cc1ccc(O)cc1)N[C@H](C)c1ccc(C#N)c(F)c1 271980375 WRUYNYCZPSWTEZ-CHWSQXEVSA-N 298.361 3.685 30 20 CHED N#CCc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 544144273 QCZCRIHFWVRLQW-UHFFFAOYSA-N 296.336 3.917 30 20 CHED Cc1ccc(C(C)(C)CNCc2ccc(C#N)s2)cc1 540591114 HPEMGTCYEWIYJY-UHFFFAOYSA-N 284.428 3.996 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 280343893 QHCTWQZCZSBZJN-HOCLYGCPSA-N 290.382 3.679 30 20 CHED Cc1ccc([C@@H](NC(=O)c2cc(C#N)oc2C)C2CC2)cc1 280621377 RQIXXBSHFMPONL-QGZVFWFLSA-N 294.354 3.649 30 20 CHED Cc1coc(C)c1C(=O)Nc1cc(C#N)ccc1OC(C)C 283926132 LYYCQDYHTSBSMC-UHFFFAOYSA-N 298.342 3.808 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1ccc(F)c(C#N)c1 551562323 YLMNLARETUMMLD-LLVKDONJSA-N 276.355 3.642 30 20 CHED CCN(Cc1cccc(F)c1)Cc1cc(F)ccc1C#N 469255229 VMNMEPYRJRXGEV-UHFFFAOYSA-N 286.325 3.859 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1(C)CCCCC1 552575971 OYKGNQRWPVZDHU-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C=CC[C@H](CC)N[C@H](CC)Cc1ccc(OC)c(OC)c1 467422105 ZYJAIMZXEREZAQ-JKSUJKDBSA-N 291.435 3.969 30 20 CHED C=CCC[C@H](CC)NC[C@@H](CO)C1CCCCC1 556241538 NCCQQOQZTFIKAD-HOTGVXAUSA-N 253.430 3.510 30 20 CHED C=CCCN(C)C(=O)NCC[C@@H](C)CC(C)(C)C 466806112 YWQZFVBVLYXKBA-CYBMUJFWSA-N 254.418 3.666 30 20 CHED CCN(Cc1ccccc1)C(=O)NCC1CCC(C#N)CC1 282138170 HKNNAKVMNLKVJV-UHFFFAOYSA-N 299.418 3.548 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(C(F)F)[nH]n1 639727604 QZDJBPMWZBHKNZ-UHFFFAOYSA-N 297.349 3.556 30 20 CHED Cc1nnc(SCCSC(C)(C)C)c(C#N)c1C 282602774 GGMQKBRPBMZXCI-UHFFFAOYSA-N 281.450 3.589 30 20 CHED CC[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 551205875 QJMMSILDTYTYIT-ZDUSSCGKSA-N 296.345 3.621 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CCC)c1ccccc1F 637520631 RKYVZSCJRGPRRM-ZDUSSCGKSA-N 279.355 3.550 30 20 CHED CC(C)CCOc1ccccc1CNc1cc(C#N)ccn1 553046124 VTVPDWJMHHOXRU-UHFFFAOYSA-N 295.386 3.990 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1c(C)c2ccccc2n1C 471226193 CFZKGCYDPYSVFT-GOSISDBHSA-N 284.403 3.705 30 20 CHED CC(C)CCC[C@H](C)NC(=O)NCC(C)(C)CCC#N 554450180 USQSVPROEZVZOX-AWEZNQCLSA-N 281.444 3.830 30 20 CHED CC#CCN1CCC[C@@H]1c1nc2ccccc2n1C(C)C 471017168 GWVNGLBSQJBGBD-QGZVFWFLSA-N 281.403 3.777 30 20 CHED C=CCC(C)(C)c1nc(CSCc2ccco2)no1 291965485 SLSRKPKIQPDTTJ-UHFFFAOYSA-N 278.377 3.950 30 20 CHED C#CCCCc1nc(-c2cccc(-c3cscn3)c2)no1 809434038 VJWUQMWVCUSKTL-UHFFFAOYSA-N 295.367 3.816 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)C1 476421452 ZCJXKBKBDRSGTC-LSDHHAIUSA-N 298.430 3.996 30 20 CHED C#CCC1(c2nc(C3CC(F)(F)C3)no2)CCCCC1 296497949 PXHLAOLYDGMPCA-UHFFFAOYSA-N 280.318 3.808 30 20 CHED N#CCSCCCOC(=O)c1ccc(C2CCC2)cc1 805537787 YFBHEOUBBRNINX-UHFFFAOYSA-N 289.400 3.758 30 20 CHED C=CCCCCCCNC(=O)N1CCCC2(CC2)C1 806003428 SKQKQICAFAWRDH-UHFFFAOYSA-N 264.413 3.709 30 20 CHED N#CCCCC(=O)Nc1cc(Cl)ccc1Cl 291907246 LYJWAXGZZXFJII-UHFFFAOYSA-N 257.120 3.626 30 20 CHED C=C(Br)CNC(=O)C[C@@H](C)CCC=C(C)C 700625919 KQCZHWHGZQBVMV-NSHDSACASA-N 288.229 3.784 30 20 CHED N#CC1(c2nc(-c3ccc(F)cc3F)no2)CCCCC1 293453410 YBROPFRMKIXRPO-UHFFFAOYSA-N 289.285 3.740 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 471680456 UIEVKLAIRCAWRL-KGLIPLIRSA-N 277.795 3.916 30 20 CHED C[C@@H]1/C(=C\c2cccc(O)c2)C(=O)c2ccccc21 809155793 FXMXDNFHXRSGOH-YAFRSCOQSA-N 250.297 3.776 30 20 CHED C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CCCC#N 291998881 WTXJYPGNWVAFAW-JTQLQIEISA-N 299.201 3.734 30 20 CHED O=C(/C=C\c1cnccn1)c1cc(Cl)ccc1Cl 809152926 XTXYKOJVSRFQSH-RQOWECAXSA-N 279.126 3.680 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Cc1cccc(Cl)c1 479287948 WSJDNRQOSUFTOF-GFCCVEGCSA-N 265.784 3.553 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C)(C)C(F)F 470845741 TXTYKRZNOFXFLI-UHFFFAOYSA-N 285.309 3.632 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(F)cc1)C(C)(C)C 808313908 HQDXCZGLMMPSIN-IUODEOHRSA-N 290.382 3.576 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccnc(C#N)n1 565220231 BRXLRFGXSAEPQN-HOTGVXAUSA-N 292.386 3.511 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2ccc(Cl)s2)c1 806558491 DWAUXOVMCFVMCP-GQCTYLIASA-N 292.743 3.996 30 20 CHED CCCN(CC[C@H]1CCCCN1C)Cc1ccc(C#N)cc1 472763536 ATIXTTOYCYCGHC-LJQANCHMSA-N 299.462 3.645 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 294782664 AQDVVZBUEARMBB-UHFFFAOYSA-N 270.332 3.856 30 20 CHED N#CCCCOC(=O)c1cc2ccc(F)cc2s1 804711570 OOGTXXQJMDYGIH-UHFFFAOYSA-N 263.293 3.501 30 20 CHED C=CCC1(C(=O)NCc2csc(C)n2)CCCCC1 648160332 HIXQHUJBJFAZJB-UHFFFAOYSA-N 278.421 3.594 30 20 CHED C=CC[C@@H](C(=O)NCc1cccc(C)c1)c1ccccc1 487560027 MORHEWSLVPBRGP-GOSISDBHSA-N 279.383 3.971 30 20 CHED C=C(C)[C@H](NC[C@@H](O)CCC(C)C)c1ccc(F)c(F)c1 482860134 UHNKEOWPISEVNU-YOEHRIQHSA-N 297.389 3.969 30 20 CHED CC(=NNCC(F)(F)F)c1nc(-c2ccccc2)cs1 814904599 QTRNFIJEDWOSBC-UHFFFAOYSA-N 299.321 3.686 30 20 CHED C=CCC(F)(F)C(=O)OCc1sccc1Cl 816053937 QSTMUYVANCLPAR-UHFFFAOYSA-N 266.696 3.656 30 20 CHED C=CCCCCCCCNC(=O)C[C@H]1CCC(=O)[C@H]1C 811590153 RAXAYMSEMZHUAA-LSDHHAIUSA-N 279.424 3.635 30 20 CHED COCCN(CCCC(C)(C)C#N)C[C@@H]1CC=CCC1 485113002 KDPFRLZSEQXHOK-MRXNPFEDSA-N 278.440 3.621 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(CC)c1CC 489497802 HYPDCUAFCDHVBW-ZDUSSCGKSA-N 275.392 3.731 30 20 CHED C=CCC1(CNC[C@@H](O)c2cccc(F)c2)CCCC1 819356871 NGDSYBXLKSMHDV-MRXNPFEDSA-N 277.383 3.585 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CCC(C)(CC(C)C)CC1 560705640 AHQDEVLGUHCLQR-UHFFFAOYSA-N 299.418 3.550 30 20 CHED C=CCC[C@@H](NCC1(OC)CCCCC1)C1CC1 480695201 PMKDJHNJDZCUKG-OAHLLOKOSA-N 251.414 3.670 30 20 CHED N#Cc1cccnc1/C=C/c1ccc(Br)s1 486102286 MDBCKBSJQOLXLP-HWKANZROSA-N 291.173 3.948 30 20 CHED CC(C)(C)SCCCC(=O)Nc1ccc(C#N)c(F)c1 813260328 XFZVSOOZCXCXJD-UHFFFAOYSA-N 294.395 3.948 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(-c2ccccc2)c(C)n1 810274596 VQUCRVGKPBKROJ-HNNXBMFYSA-N 293.370 3.590 30 20 CHED C=C[C@@H]1CCCCN1C/C=C\CN1CCCC[C@@H]1C=C 489437280 NUOKIHNIAUYHJE-BJDFZXPUSA-N 274.452 3.624 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1CCCc2ccc(OC)cc21 653766356 YSUHNRIATFGOMW-RDJZCZTQSA-N 299.414 3.682 30 20 CHED C#Cc1ccccc1Cc1nc([C@@H](C)c2cccs2)no1 810299833 RAFNQJMTAWFDRX-LBPRGKRZSA-N 294.379 3.855 30 20 CHED CCC(=NNCCC(F)(F)F)c1ccc(F)cc1F 814920547 PMMQNFCCPWKVAC-UHFFFAOYSA-N 280.240 3.621 30 20 CHED FC(F)Oc1ccc(NN=CCC(F)(F)F)cc1 817326579 RUHVXCZWVQXFQX-UHFFFAOYSA-N 268.185 3.638 30 20 CHED C=CC[C@@H](NC(=O)c1ccn(C(C)C)c1C)c1ccncc1 815622843 GSZBMUDURDXDTH-QGZVFWFLSA-N 297.402 3.820 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)c1ccc(Cl)cc1 650082609 MJVQBTIOZZZSNI-NSHDSACASA-N 251.757 3.526 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1cccc(C#N)c1)C1CC1 485583838 WKNAIGJTPBHKJG-SFHVURJKSA-N 290.366 3.748 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1c1cc(C#N)ncn1 572940252 KRUZNQWRJGPPOX-SJORKVTESA-N 292.386 3.511 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 576357421 ODTPCUWTCKNYPA-ZFWWWQNUSA-N 298.390 3.696 30 20 CHED C/C(=C/C(=O)N[C@@]1(C#N)CC1(C)C)c1ccccc1Cl 813302511 ALXSDXUVODZBQO-JXMNSVBMSA-N 288.778 3.552 30 20 CHED C=CCC[C@@H](C(=O)NOC/C=C\Cl)c1ccccc1 812399835 VWTFPOWQUWINKK-SMJHDNPOSA-N 279.767 3.537 30 20 CHED COc1cccc(NN=Cc2cccc(Cl)c2)c1 725853676 RDUARUGRDPNFLC-UHFFFAOYSA-N 260.724 3.795 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@@H](C)C(C)C)c1ccccc1 487692524 MRZPWPBVEHQXLM-GOEBONIOSA-N 259.393 3.849 30 20 CHED C#CC1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1 825743262 PXIPRPRLHCTLQA-KRWDZBQOSA-N 298.430 3.829 30 20 CHED CC(C)(C)CCCNC(=O)Nc1ccc(C#N)c(F)c1 577564693 SEZAILNQVYHPTB-UHFFFAOYSA-N 277.343 3.645 30 20 CHED CC1(C#N)CCN(C(=O)/C(F)=C/C2CCCCC2)CC1 828080533 DGUMMSZGTACHMM-KAMYIIQDSA-N 278.371 3.572 30 20 CHED Cc1nc(N2CCc3cccc(F)c3[C@@H]2C)ccc1C#N 579786289 MVOQDTMFADJUTL-LBPRGKRZSA-N 281.334 3.525 30 20 CHED CCc1ccc(-c2ccc(C(=O)NCC3(C#N)CC3)o2)cc1 572921125 LBHCNDXAZGDENT-UHFFFAOYSA-N 294.354 3.543 30 20 CHED C=CCC1(NCC(=O)N(CC)c2ccccc2)CCCC1 661851328 QIAVQENUUCWMDO-UHFFFAOYSA-N 286.419 3.518 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)[C@@H](C)c1ccc(C#N)cc1 573923034 GOQUFTFMEGHVQV-DOPJRALCSA-N 296.414 3.904 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(CCCC)cc1 495279407 GGUWTIFVUIOULD-AWEZNQCLSA-N 275.392 3.949 30 20 CHED CC(C)CN(C(=O)[C@H](C)C(C)C)c1ccc(C#N)cc1 497818991 XUWFCXWIXABFHN-CQSZACIVSA-N 272.392 3.839 30 20 CHED C#Cc1cccc(NC(=S)N(C)CC2CCCCC2)c1 726463514 ZZYPAVRIAUHHMA-UHFFFAOYSA-N 286.444 3.877 30 20 CHED CCOc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 727640626 MOEPSYZVSWQQBS-ZDUSSCGKSA-N 295.338 3.875 30 20 CHED C=CCOCCN[C@H](C)c1csc(-c2ccccc2)n1 666126238 CTEWXANXOPELNG-CYBMUJFWSA-N 288.416 3.663 30 20 CHED C=CCOCCN[C@H]1CCCC[C@@H]1Cc1ccccc1 581739315 XSARIJYQKAIKAI-MSOLQXFVSA-N 273.420 3.580 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(C(F)(F)F)c1 589514753 KQRCMFPVYLYFIQ-DOMZBBRYSA-N 294.320 3.951 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C\c2cccs2)c1 821023170 YNUQDZKAFSYHTH-HJWRWDBZSA-N 271.385 3.706 30 20 CHED N#CCCCCCC(=O)Nc1ccc2scnc2c1 588155579 NJFSNEMIXPYNRB-UHFFFAOYSA-N 273.361 3.709 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@@H](CC)c1ccccc1 494198297 MFSSZVCESCUGKY-WBVHZDCISA-N 286.419 3.930 30 20 CHED C=CCCC(=O)NCC1(c2ccc(Cl)cc2)CCC1 588879084 CZPYLTVOUSAJPT-UHFFFAOYSA-N 277.795 3.844 30 20 CHED CC[C@@](C)(NCc1cccc(F)c1C#N)C(F)(F)F 582463092 ZFLRBXKXGAEODH-GFCCVEGCSA-N 274.261 3.518 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CCCCCC#N 588158394 WGQNTTMIMNEDOT-DOTOQJQBSA-N 284.403 3.865 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cc(F)ccc1OC 903371439 SMRZNWUFHVOKGC-XPKDYRNWSA-N 290.382 3.957 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1cncs1 734746411 RKENIQFBWDSNNB-UHFFFAOYSA-N 296.739 3.541 30 20 CHED Cc1nc2ccccc2c(C)c1C(=O)OCC1(C#N)CCC1 837356802 IXPPRGLWTOJCIU-UHFFFAOYSA-N 294.354 3.702 30 20 CHED CCCC(=CC(=O)NCC(C)(C)CC#N)CCC 837890427 XDFKQEKYYZSGJS-UHFFFAOYSA-N 250.386 3.569 30 20 CHED CC[C@@H](Nc1cnn(CC2CC2)c1)c1cccc(C#N)c1 902921463 VKZRGPQLKOTDEV-QGZVFWFLSA-N 280.375 3.728 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)ccc2C)C1(C)C 736428056 RQKXXVIFUZDSPY-HNNXBMFYSA-N 260.381 3.906 30 20 CHED Cc1cc(N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc(C#N)n1 581079266 WKGGSPDEHQFWQX-ZFWWWQNUSA-N 295.361 3.783 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cc(F)cc2ccoc12 904182092 WWGHBNSDPWTXBC-INIZCTEOSA-N 288.322 3.630 30 20 CHED C=CCCC[C@H](NCc1ccc(CCC)cc1)C(=O)O 900068477 JDMMGLHMQFVEQD-INIZCTEOSA-N 275.392 3.538 30 20 CHED C[C@@H](OC(=O)C(C)(C)C1CCC1)c1cccc(C#N)c1 835129921 BCQJSTLYPDMMQO-GFCCVEGCSA-N 271.360 3.989 30 20 CHED CN(CCC1CCCCC1)C(=O)CCCCCC#N 588339200 TVSGOZJAUCJKML-UHFFFAOYSA-N 264.413 3.889 30 20 CHED CC[C@H](C)[C@H](OC)C(=O)Nc1cc2ccccc2cc1C#N 839437650 PBMNYCVEGAPAOX-SJCJKPOMSA-N 296.370 3.711 30 20 CHED CC(=NNc1ccc(F)cc1Cl)C1CCN(C)CC1 901317259 JNEKBXCCTRWFEW-UHFFFAOYSA-N 283.778 3.609 30 20 CHED COC(=O)c1ccc(C=NOCc2cc(C)cc(C)c2)cc1 836306479 JVTYDPWTNLZUBU-UHFFFAOYSA-N 297.354 3.641 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCCCC1(F)F 833380824 ZRCIAVIHWBLEOY-ZDUSSCGKSA-N 271.351 3.512 30 20 CHED C[C@H](C=NN[C@H](C)C(F)(F)F)CCc1ccccc1 835001099 NOSODKAHYKIVIM-NWDGAFQWSA-N 272.314 3.782 30 20 CHED CCCn1c(CN2CCC[C@H](CC#N)C2)nc2ccccc21 597174251 ONENMYZRJLQSCB-OAHLLOKOSA-N 296.418 3.572 30 20 CHED CC(C)(C)c1ncc(C(=O)O[C@H]2CCC[C@H](C#N)C2)s1 839047807 INQLORWLWLTGCJ-QWRGUYRKSA-N 292.404 3.680 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)OCCCCC(C)(C)C#N 837975168 KEYNYTQECOOEJD-ZIAGYGMSSA-N 265.397 3.932 30 20 CHED CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 598603636 XPVLOBVEWZSVCF-HUUCEWRRSA-N 294.826 3.681 30 20 CHED CC1(C#N)CCC(=NN[C@H]2CCc3c(F)cccc32)CC1 835022076 VQPUNFXKYFIXGZ-BHWOMJMDSA-N 285.366 3.862 30 20 CHED CCCCCCCSCc1ccc(S(C)(=O)=O)o1 842194345 FOPHPPMRPXSSPQ-UHFFFAOYSA-N 290.450 3.887 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCCCCCSC)C1 595583826 VSUREZHLMDPQCZ-CQSZACIVSA-N 284.469 3.517 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1ccsc1 595055850 KPIOFRPPGQMYJR-INIZCTEOSA-N 270.401 3.903 30 20 CHED C=CCN(CCC#N)CCO[C@H](CC)c1ccccc1 593031268 ZSWCPNQBBVRFLA-QGZVFWFLSA-N 272.392 3.556 30 20 CHED COc1cc(C)c([C@@H](C)NCC(C)(C)CC#N)cc1C 840787661 NPBLGLZMSUCEBY-CQSZACIVSA-N 274.408 3.903 30 20 CHED CCCC[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C(C)C 598824891 QXRXYWGWTIYLPJ-CZUORRHYSA-N 266.429 3.893 30 20 CHED C#Cc1cccc(NC(=O)NCCCCc2ccccc2)c1 915339713 FLAHXGFMEFUFHA-UHFFFAOYSA-N 292.382 3.812 30 20 CHED C#CCCCNC(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 745900066 VRBFCPUZMOLYTH-ZWKOTPCHSA-N 298.430 3.686 30 20 CHED CCCOc1cccc(C=NNc2cccc(C(=O)O)c2)c1 917531081 SXWBDHLJKUXVJZ-UHFFFAOYSA-N 298.342 3.620 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 598299189 FAZCJWBHVRUVJK-BZUAXINKSA-N 298.430 3.774 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)ns1 749112970 CQTNNHRUEDPKFQ-UHFFFAOYSA-N 287.388 3.672 30 20 CHED C=CCOC(=O)c1oc2ccc(CCC(C)=O)cc2c1C 916593914 RYHKOJHYEYYIPM-UHFFFAOYSA-N 286.327 3.606 30 20 CHED CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](C#N)CC)o1 593494998 BYADGGYJUSJDLY-IPYPFGDCSA-N 288.391 3.691 30 20 CHED C#C[C@@H](C)OC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 744181494 SGRJMAJPTRLBPE-CABCVRRESA-N 295.382 3.893 30 20 CHED CCCCCC[C@](C)(CC)C(=O)N(C)CCC#N 742577776 JFHFXCSYJUIBFF-HNNXBMFYSA-N 252.402 3.745 30 20 CHED C#C[C@@H](OC(=O)C12CCC(CC1)C2)c1ccc(F)cc1 842406305 AWCAQRHIPJUDDC-YAJUMTOWSA-N 272.319 3.624 30 20 CHED C=CC[C@H](C(=O)OCCc1ccncc1C)c1ccccc1 842398588 ODXIKFJPKOAMMH-SFHVURJKSA-N 295.382 3.836 30 20 CHED CC[C@@H](C(=O)N(CC)[C@@H](C)C#N)C1CCC(C)CC1 598361285 GBRUQNDJFRVVHI-OOJKYFRXSA-N 264.413 3.599 30 20 CHED N#Cc1ccc(CNC2(C3CCC3)CC2)c(OC(F)F)c1 593082337 VDOYCLSDEJXJIF-UHFFFAOYSA-N 292.329 3.582 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCCCc1ccccc1 683819921 MGKHCLMZUPDOLQ-QGZVFWFLSA-N 286.419 3.759 30 20 CHED CC1(C)CCCC1=NNc1ccc(Br)nc1 749859858 UKBYMYUNVRDRJX-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 593406514 DDRLQLDVZDUEKR-IUODEOHRSA-N 290.382 3.969 30 20 CHED C=C1CCN(C(=O)c2ccc(OC3CCCC3)cc2)CC1 591062867 XDMADDYWDJRBLN-UHFFFAOYSA-N 285.387 3.800 30 20 CHED CC(CCCCC#N)=NNc1cccc(Cl)n1 841642135 HPMNSIKAWVESMH-UHFFFAOYSA-N 250.733 3.607 30 20 CHED C=CCOc1ccccc1C(=O)NCc1c(C)cccc1F 742730217 YSOOJNCKSSDSTN-UHFFFAOYSA-N 299.345 3.629 30 20 CHED C#CCCCNC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 743692697 WEDCFZBFFNGIGD-MSOLQXFVSA-N 298.430 3.501 30 20 CHED C#CCCCCCC(=O)O[C@H](C)C(=O)c1cccc(F)c1 840424608 RDRHUMQBIMPTBA-CYBMUJFWSA-N 290.334 3.524 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1c1cccc(C)c1C 741489446 CJUYZHHPMKJGFY-MRXNPFEDSA-N 288.460 3.891 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc[nH]1 746577737 YKQJMXFVTFPNRD-UHFFFAOYSA-N 267.254 3.870 30 20 CHED C#CCN(CCCCCCCO)[C@@H]1CCc2ccccc21 744388666 SQQFUNDLHXJMBG-LJQANCHMSA-N 285.431 3.552 30 20 CHED C[C@H](COc1cccc(F)c1)N[C@H](C)CC(C)(C)C#N 924736248 ZDOHZDHINHBEAV-CHWSQXEVSA-N 278.371 3.511 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cnc(C)s1 743450907 TZNHHYXMKBWWIV-LLVKDONJSA-N 253.415 3.734 30 20 CHED CCCCCCCCNC(=N)NCC1CCSCC1 849100151 YZTLHYYMIIBSRR-UHFFFAOYSA-N 285.501 3.604 30 20 CHED Cc1cc([C@@H]2CCCN2CCCCC2(C#N)CCC2)no1 929187027 ZTZRLBZJAUQTNL-INIZCTEOSA-N 287.407 3.984 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](Cn1cccn1)c1ccccc1 925126522 BKGWBMVZHAVJAR-NVXWUHKLSA-N 296.418 3.542 30 20 CHED Cn1c(C=NNc2ccc(Cl)cc2)nc2ccccc21 755462825 VIGQBANOLZSYJO-UHFFFAOYSA-N 284.750 3.673 30 20 CHED C[C@H](C(=O)OCc1ccc(F)c(C#N)c1)c1ccsc1 758953434 MTSGWOZMACETPD-JTQLQIEISA-N 289.331 3.606 30 20 CHED C[C@H]1CCN(c2snc(Cl)c2C#N)CC1(C)C 758953920 IRTBIIGIFNWJPZ-QMMMGPOBSA-N 269.801 3.541 30 20 CHED C#CCCCC(=O)O[C@H](c1ccc(OC)cc1C)C1CC1 758917851 MJMDWTYJDOMRNA-SFHVURJKSA-N 286.371 3.801 30 20 CHED COc1ccc(CCC(C)=NOCc2ccccc2)cc1O 754923880 SGLQIOBBMFKZLG-UHFFFAOYSA-N 299.370 3.926 30 20 CHED C=C(C)COC(=O)c1ccc(CCC(F)(F)F)cc1 751885485 UWVSZJFWUGXUSL-UHFFFAOYSA-N 272.266 3.914 30 20 CHED Cc1ncsc1/C=C\C(=O)c1cc(F)ccc1F 757476731 ZLRFKDHAMDHRHE-PLNGDYQASA-N 265.284 3.626 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1ccc(C)s1 759007964 PCZBSTUTXOEZMP-UHFFFAOYSA-N 278.373 3.551 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)O[C@H](C#N)C1CC1 753991383 OOLUVAILGHIQDG-XNRPHZJLSA-N 283.371 3.821 30 20 CHED CCCn1nccc1/C=C\C(=O)c1cccc(OCC)c1 853006161 ZMSXACUESCZGDH-HJWRWDBZSA-N 284.359 3.588 30 20 CHED C=CCC1(NC(=O)/C(F)=C\C2CCCCC2)CCOCC1 855686364 GIZHMQDASHCUTK-FYWRMAATSA-N 295.398 3.662 30 20 CHED CC(C)c1ccc2cc(C(=O)N(C3CC3)[C@@H](C)C#N)[nH]c2c1 855584092 ORAJIOUUWABXOM-LBPRGKRZSA-N 295.386 3.808 30 20 CHED COc1ccc(C)cc1/C=C1\Cc2c(OC)cccc2C1=O 759665118 OASLZYXKQSDJHI-GXDHUFHOSA-N 294.350 3.835 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1nc(Cl)cs1)C2 759086051 ZDGCICXYRCQYQU-UITAMQMPSA-N 291.759 3.628 30 20 CHED Cc1cc(C)n(N=C[C@@H](C)CC2CCCCC2)c(=O)c1C#N 758109077 NKDARSBFEWOSFC-ZDUSSCGKSA-N 299.418 3.777 30 20 CHED N#Cc1cc(/C=C2\CCc3cc(O)ccc3C2=O)ccc1F 756262046 QLEYIQIEWAGRMH-NTUHNPAUSA-N 293.297 3.615 30 20 CHED CON(CCCC(C)(C)C#N)[C@@H](C)c1csc(C)n1 931539791 CBWSJDQGORNGLR-NSHDSACASA-N 281.425 3.706 30 20 CHED Clc1ccc2c(NN=Cc3cncs3)ccnc2c1 767741933 BXGLMOXHAIIQGI-UHFFFAOYSA-N 288.763 3.791 30 20 CHED Cc1ccc(F)c(C=NNCc2cnc3ccccc3c2)c1 764778126 GQHIXSKKEDEXQQ-UHFFFAOYSA-N 293.345 3.806 30 20 CHED C=CC[C@@H](C)NC(=O)CC(C)(C)c1ccc(F)cc1 865926338 VCWRUIUAOZGGQM-GFCCVEGCSA-N 263.356 3.574 30 20 CHED C/C=C(/C=C/C(=O)N[C@H](C)c1cccc(C#N)c1)CC 765731909 SUGKKBOGDTYXGJ-BBSCJAAVSA-N 268.360 3.648 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C/c2ccn(C)n2)cc1 863197682 VRPFBPFNQIXJMN-LXKVQUBZSA-N 268.360 3.830 30 20 CHED CC(C)C[C@H]1CN(C)CCN1CCC1(C#N)CCCCC1 933254764 VUEBXIUDLKAUHF-KRWDZBQOSA-N 291.483 3.513 30 20 CHED C[C@H](CCc1ccsc1)NCc1ccc(C#N)cc1 765601278 PMONISDWIFSNAM-CYBMUJFWSA-N 270.401 3.731 30 20 CHED CCC(CC)NN=C(C)c1nc2ccc(Cl)cc2n1C 760258646 LNAHNKMAKBWIGB-UHFFFAOYSA-N 292.814 3.729 30 20 CHED CC(=NN=C1C[C@H](c2ccccc2)C1(C)C)c1cnccn1 768484196 DYIGTZTUWKTIHX-OAHLLOKOSA-N 292.386 3.855 30 20 CHED N#CCCCCNC(=O)CCc1cccc2ccccc12 865167069 IBVCWPFQTBHKLO-UHFFFAOYSA-N 280.371 3.582 30 20 CHED CN(C)c1ccc(N2CCC(=NOC(C)(C)C)CC2)cc1 1116404389 HSJZHHTVMBJLSA-UHFFFAOYSA-N 289.423 3.524 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)ncn3C)cc1 761196894 OAFGMQPKXCEDEY-POHAHGRESA-N 276.339 3.778 30 20 CHED C[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F 1117890685 VMDQWCRQBNQNNF-LOWVWBTDSA-N 293.313 3.694 30 20 CHED C#CCCN(Cc1ccc(C)c(F)c1)CC(F)(F)F 768534884 SYVZQSNHOFFNAV-UHFFFAOYSA-N 273.273 3.522 30 20 CHED N#Cc1cccc(C2(C(=O)Oc3ccc(Cl)cc3)CC2)c1 1116327452 TWBUJRKMWIEYOG-UHFFFAOYSA-N 297.741 3.849 30 20 CHED Cc1ccc(C=NN2Cc3ccccc3C2=O)cc1Cl 766456036 XTSKQZNFETVEHK-UHFFFAOYSA-N 284.746 3.638 30 20 CHED CCCCCC[C@@H]1CCC[C@H]1NC1CCN(CC#N)CC1 765856947 SEJUESVTVXAPPM-SJLPKXTDSA-N 291.483 3.703 30 20 CHED C=CCC[C@H](CCC)NCc1cc(C#N)ccc1F 773030070 JWFKSVGAAYSVIU-HNNXBMFYSA-N 260.356 3.922 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)OCC1(C#N)CC1 775874160 HLXCWDQREPIKAG-XFFZJAGNSA-N 275.735 3.590 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)CCCC(F)(F)F 775522840 BWAOBGOSGBTTAS-ZDUSSCGKSA-N 299.336 3.909 30 20 CHED C#CCOc1ccccc1NCc1cccc(C)c1 774373156 KCQQKUOWRKWPDW-UHFFFAOYSA-N 251.329 3.619 30 20 CHED C=C(CC)COC(=O)[C@@H]1SCCc2sccc21 773519703 NPQIBKPWEZDWDI-GFCCVEGCSA-N 268.403 3.588 30 20 CHED C#CCCCCCC(=O)N1CCCc2c(F)ccc(C)c21 779931888 RVENJCQXBGHXMQ-UHFFFAOYSA-N 287.378 3.997 30 20 CHED CCOC(=O)[C@H]1CCC(=NOC2CCCCC2)[C@@H](C)C1 777458534 FZRDHVGLQSBREQ-STQMWFEESA-N 281.396 3.691 30 20 CHED Cc1ccc(N(Cc2ccccc2)C(=O)[C@H](C)C#N)cc1 1116183058 HWUXHVFVLBIMST-OAHLLOKOSA-N 278.355 3.688 30 20 CHED CCOCCON=Cc1ccc(-c2cccc(F)c2)s1 774418432 VBCIQFMEJRVBLO-UHFFFAOYSA-N 293.363 3.941 30 20 CHED Clc1cccc(C#CCNc2ccc3c(c2)OCCO3)c1 772905764 IUQVBLRTKCIGAO-UHFFFAOYSA-N 299.757 3.575 30 20 CHED CC(C)[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cn1 779394403 WOSFRQFZXCMXLQ-KRWDZBQOSA-N 283.350 3.579 30 20 CHED CC(C)Oc1ccccc1C=NNc1ccc2[nH]ncc2c1 779817264 PCMRPIBHDLRKHM-UHFFFAOYSA-N 294.358 3.796 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)c2ccncc2CC)c1 774024245 BZUCMAJLKYSMCX-CYBMUJFWSA-N 293.370 3.508 30 20 CHED C=C1CCC(C(=O)N(CCC#N)CC(C)(C)C)CC1 888902933 IJDRXQTUGCPUMB-UHFFFAOYSA-N 262.397 3.521 30 20 CHED C#CCCN[C@@H](c1ccc(F)cc1F)C(C)(C)C 775542444 LNGKVCCIXLNYSC-AWEZNQCLSA-N 251.320 3.665 30 20 CHED C#Cc1cccc(NC(=O)C(F)(F)c2ccc(C)cc2)c1 779770638 MLXPBCRRFQVUFL-UHFFFAOYSA-N 285.293 3.707 30 20 CHED CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C#N)cc1 774161438 NCBZKGJCZIBEJA-GOSISDBHSA-N 292.382 3.734 30 20 CHED COc1ccc(NN=C(C)c2cc(C)ccc2C)nc1 780270166 DFKFHGUJGDJNJM-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C#CCC1(C(=O)Nc2ccc(C)cc2)CCCCC1 788144027 UTQZQJLERCXDQV-UHFFFAOYSA-N 255.361 3.907 30 20 CHED CC[C@H](C#N)OC(=O)CCOc1cc(C)ccc1C(C)C 780423448 PZNJGSUJTRLDAL-CQSZACIVSA-N 289.375 3.733 30 20 CHED CCC[C@@H](CC)C(=O)Nc1ccc(C#N)cc1C(C)=O 1128965612 NSCZHAKZATWJGZ-CYBMUJFWSA-N 272.348 3.526 30 20 CHED N#CCCCCN[C@H]1CCCc2c1[nH]c1ccc(F)cc21 886522819 REDKGVZTWKDGHO-INIZCTEOSA-N 285.366 3.968 30 20 CHED CCC[C@@H](CC)C(=O)OCc1cc(C#N)ccc1F 1126765608 OQSRUDMECDPUEB-GFCCVEGCSA-N 263.312 3.567 30 20 CHED C/C=C(/CC)C(=O)OCc1ccc(Cl)cc1C#N 789229709 HENZYJVKDVHFGM-KMKOMSMNSA-N 263.724 3.611 30 20 CHED Cn1c(-c2ccc(OCC#N)cc2)nc2ccc(Cl)cc21 788339142 UXWCBKXHBDDPMR-UHFFFAOYSA-N 297.745 3.796 30 20 CHED COC(=O)CCc1cccc(NCC(C)(C)CCC#N)c1 786576342 FRRSVZOLXAAFAP-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C#CCC1(C(=O)N2CCc3ccccc3CC2)CCCCC1 788223442 MEUQCZMGQLPPTA-UHFFFAOYSA-N 295.426 3.588 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](O)c1cc(F)cc(Cl)c1 787034909 LWVLALMAYZNFOG-PGUXBMHVSA-N 285.790 3.703 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccc(C)c(F)c2)no1 899994490 DNUBLOSOADZFOD-CYBMUJFWSA-N 275.327 3.540 30 20 CHED C[C@@H]1CCC(=NN[C@@H](CO)c2ccccc2)c2ccccc21 788453745 BBAZCAWMQQYQCT-KUHUBIRLSA-N 294.398 3.611 30 20 CHED O=C1/C(=C\c2cnn(CC3CCC3)c2)Cc2c(F)cccc21 899350657 LAQJMIAUJQFHOE-AUWJEWJLSA-N 296.345 3.645 30 20 CHED COc1ccc(NN=C(CC(C)(C)C)C2CC2)nc1 787163149 SZLPJFQPAGEVRO-UHFFFAOYSA-N 261.369 3.704 30 20 CHED C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 83399118 MWPAGPCEXYSMBK-GFCCVEGCSA-N 254.308 3.548 30 20 CHED C=CCN(Cc1cccs1)Cc1cnc(F)cc1C 891510387 VTINVQDWVANLJQ-UHFFFAOYSA-N 276.380 3.779 30 20 CHED Cc1nc(C#N)cc(NCc2ccc(Cl)c(Cl)c2)n1 701823223 IQWWSMQLCJMMPL-UHFFFAOYSA-N 293.157 3.576 30 20 CHED Cc1cccc2c1C/C(=C/c1cnn(C3CCC3)c1)C2=O 899353689 VZHWOQOQCYWHMV-ZSOIEALJSA-N 278.355 3.739 30 20 CHED CN(CCCCC(C)(C)C#N)CCOc1ccccc1 277549051 BVVVFHZLCWOZKD-UHFFFAOYSA-N 274.408 3.717 30 20 CHED CC(C)(C#N)CCCCN(CCC#N)Cc1ccco1 277737419 OPPHRIQHMDZPGR-UHFFFAOYSA-N 273.380 3.715 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]1C#N 278080153 XSLPLVOMDLFNDM-CYBMUJFWSA-N 294.757 3.633 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cc(C)cc(Cl)n1 799966761 MOYKXHNKPBWCAL-LBPRGKRZSA-N 295.814 3.587 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)c1ccc(F)c(C)c1 1133227034 JMFUBIXEFVYDLY-UHFFFAOYSA-N 296.345 3.601 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1C#N 799719578 QMEZTVNXNHEXNQ-XKQJLSEDSA-N 282.387 3.517 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)Nc1cc(C#N)ccn1 582242457 DYXLMBIERCFUGL-CYBMUJFWSA-N 271.364 3.664 30 20 CHED C=CCC(C)(C)C(=O)OCCCc1ccccc1OC 796463287 ODFBOYILRSUWCN-UHFFFAOYSA-N 276.376 3.773 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cc(Cl)ccc1C 790604649 VWQQFSWGMDRSJI-LBPRGKRZSA-N 264.756 3.572 30 20 CHED N#CCCCCOC(=O)c1ncccc1Oc1ccccc1 799562283 RIVUEFIWPFQQPZ-UHFFFAOYSA-N 296.326 3.725 30 20 CHED C#Cc1cccc(N(C)Cc2cnc3ccccc3c2)c1 799121130 VGHRNFUBHGQUSQ-UHFFFAOYSA-N 272.351 3.853 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCC[C@@](C)(C#N)C1 590705954 RUAJJPLRSSGBMP-ZBFHGGJFSA-N 264.413 3.601 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(OC(C)C)cc1C 568806770 KXHSONXQKHUQRT-MRXNPFEDSA-N 274.364 3.661 30 20 CHED COC(=O)c1cc(NN=Cc2sccc2C)ccc1C 793089782 LYPHVSVXOUERPL-UHFFFAOYSA-N 288.372 3.598 30 20 CHED Fc1cccnc1NN=Cc1ccccc1C1CC1 794989905 FNBRVPRLEDYWMC-UHFFFAOYSA-N 255.296 3.544 30 20 CHED N#Cc1cc2c(nc1NC1CCCCC1)CCCC2 12767451 DQNVJUOVXHJGDR-UHFFFAOYSA-N 255.365 3.577 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)cc1C#N)c1ccccc1 695723459 GQAFGDLUDWMNRK-NSHDSACASA-N 284.746 3.954 30 20 CHED Cc1cc(C#N)cc(N[C@H]2CS[C@H](C(C)C)C2)c1 1308816465 AOUFHUZMICSDGR-CABCVRRESA-N 260.406 3.809 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc(F)cc1Cl 1319199508 DCRBDIBSNLAEKJ-UHFFFAOYSA-N 287.721 3.859 30 20 CHED C=CC[C@H](NC(=O)c1cc(CC(C)C)c[nH]1)c1ccncc1 1325524492 BGDAQGKYBFZGPW-INIZCTEOSA-N 297.402 3.655 30 20 CHED O=C(CC#Cc1ccccc1)OCC(=O)C1CCCCCC1 1326726576 XWAASTIUMFMCTO-UHFFFAOYSA-N 298.382 3.511 30 20 CHED N#CCc1ccc(-c2nnc(-c3ccc(Cl)nc3)o2)cc1 1324150689 HGKLPMBJHHVLRX-UHFFFAOYSA-N 296.717 3.518 30 20 CHED C[C@H](c1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1F 1328348336 POEIHZQLUKJQDJ-NSHDSACASA-N 293.301 3.899 30 20 CHED Cc1cc(-c2nnc(-c3ccc(C#N)cc3)o2)c(C)s1 1257872984 VJLVQDCYYLFPQG-UHFFFAOYSA-N 281.340 3.954 30 20 CHED COc1ccnc(CSCc2cc(C#N)ccc2F)c1 1338057374 OMXGZMFEKHWUQT-UHFFFAOYSA-N 288.347 3.534 30 20 CHED C#CCN(CC)C(=O)c1ccc(-c2ccccc2)s1 1251227130 JCGJWFGYVGMWMB-UHFFFAOYSA-N 269.369 3.510 30 20 CHED CCc1ccc(CN(C)C(=O)c2cc(C#N)ccc2F)cc1 1264238833 PUDJMQNXRLBCOY-UHFFFAOYSA-N 296.345 3.532 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)Cc1cc2ccccc2[nH]1 1348609319 SYKSMAJBMGWXQV-UHFFFAOYSA-N 293.345 3.811 30 20 CHED CCN(C(=O)c1csc(C#N)c1)[C@@H]1CCCC[C@@H]1C 1348086571 HROUJOGSHOYNAU-SMDDNHRTSA-N 276.405 3.661 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)O[C@@H]1CC[C@H](C#N)C1 1344058910 OTTGEJACMDSNCW-ZMSDIMECSA-N 285.387 3.799 30 20 CHED CC1(C)[C@H]2CN(c3c(C#N)cnc4c(Cl)cccc34)C[C@@H]21 1458205327 QJJMOFHWCOUTTM-STQMWFEESA-N 297.789 3.852 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2C#N)c2ncccc12 1521476186 VGVZHYFUOCWNIA-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#Cc1cccc(C(=O)N[C@H]2CCCc3c(F)cccc32)c1 1523954318 NWJRZZQVANWEDX-KRWDZBQOSA-N 294.329 3.505 30 20 CHED N#C[C@H](C(=O)CCCCc1ccccc1)c1cccc(F)n1 1524781459 YPLPQPBTMKZZLE-HNNXBMFYSA-N 296.345 3.810 30 20 CHED N#Cc1ccc(NC(=O)N2CCC=C(Cl)C2)c(Cl)c1 1465888765 UUFBHCOYSBOLTD-UHFFFAOYSA-N 296.157 3.572 30 20 CHED COC1(CN2CCC(c3ccc(C#N)cc3)CC2)CCCC1 1462627740 LNGSGYFMKNFBTE-UHFFFAOYSA-N 298.430 3.697 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 1530064548 JAUVXKPWYQAABO-BFHYXJOUSA-N 264.413 3.599 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N(CC)[C@@H](C#N)CC 1617776092 LYCHHIKYTGGLPI-HIFRSBDPSA-N 290.432 3.708 30 20 CHED N#CC1(CCSc2ncc(C(=O)O)s2)CCCCC1 1610619843 SNOSOBAHAAUVRD-UHFFFAOYSA-N 296.417 3.798 30 20 CHED C[C@@H](C(=O)Nc1cccc(CC#N)c1)c1cccs1 1543578654 HOCHNUPYCUMZMC-LLVKDONJSA-N 270.357 3.556 30 20 CHED C[C@@H](c1nccc2ccccc12)N1CCC[C@@H](C#N)C1 1474703818 DHYQXJOZVYAUHZ-KBPBESRZSA-N 265.360 3.531 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1cscc1Cl 1610806597 PISVAGJBWCRVCI-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C[C@@H]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H]1C 1629596124 NAGYAJCTKQBSIM-RKDXNWHRSA-N 297.185 3.736 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1C 1566402998 JSSGNSIIYIDQEH-GXTWGEPZSA-N 285.391 3.755 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@H](C)C1 1562909590 UFAZYNGICLOSJN-UEKVPHQBSA-N 289.354 3.644 30 20 CHED CC(C)CN(C[C@@H]1CCCCO1)c1ccc(C#N)cc1 1652788749 MLVSFZDSUYHNNR-KRWDZBQOSA-N 272.392 3.590 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NCc2ccc(C#N)cc2)C1 1669386085 VUNOUPSMRYBEAO-GRDNDAEWSA-N 299.418 3.572 30 20 CHED CC(C)CC(CC(C)C)NC(=O)Nc1ccc(C#N)cn1 1673452175 JJKVCQKLPXVVRY-UHFFFAOYSA-N 288.395 3.536 30 20 CHED CCCCCC1=CCCC1=NNc1ccc(C(=O)O)nc1 1776069209 WRAKKKCVPUAKDC-UHFFFAOYSA-N 287.363 3.848 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(C)c(C(=O)O)c2)c1 1776127432 STPJZUGGIAFTJM-CMDGGOBGSA-N 280.323 3.898 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)c(-c2ncco2)c1 162852209 PJVZEYRGMDUSNG-LBPRGKRZSA-N 285.347 3.736 30 20 CHED C[C@H]1C[C@@H](C)CN(Cc2ccc(N(C)CCC#N)cc2)C1 158018564 XWOALHKMAHLPAM-IYBDPMFKSA-N 285.435 3.514 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)CCCC)CC1 153035060 OMTGKBHPDBXRQJ-OAHLLOKOSA-N 252.446 3.585 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1 209279248 IHIWOJSZFNCAIS-FLIBITNWSA-N 252.313 3.900 30 20 CHED CC(C)c1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1 516368 XCXKKTJVQHCHHH-UHFFFAOYSA-N 294.354 3.699 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1Nc1ccc(OCC#N)cc1 235243111 IRFFLUVTWZLWOI-DOMZBBRYSA-N 258.365 3.826 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)cc1Cl)C(C)(C)C 269239759 YGUDJMSGHAVLGV-SECBINFHSA-N 264.756 3.832 30 20 CHED N#CCc1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 252421042 YQUDXVDIDDLZNM-FXXCCUJSSA-N 266.388 3.989 30 20 CHED CC(C)CN(CCOc1ccc(C#N)cc1)CC(C)C 41636081 LUFGRFWTCYWFAP-UHFFFAOYSA-N 274.408 3.551 30 20 CHED CCCC[C@@H](CCC)NC(=O)C1(C#N)CCCCC1 177652482 OYDDQCNUUWCIMN-CQSZACIVSA-N 264.413 3.936 30 20 CHED Cc1cccc(C(=O)Nc2cccc(CC#N)c2)c1C 313439178 FVHXNDPGZSXASX-UHFFFAOYSA-N 264.328 3.622 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)C(C)(C)C 522336384 ZEMVIDHJAQNMAL-SECBINFHSA-N 264.756 3.832 30 20 CHED C=CC[C@@H](CC)NCc1cc(OC)c(OC)cc1SC 341433630 NRNTYRUMIKTXQM-CYBMUJFWSA-N 295.448 3.870 30 20 CHED C[C@H](COc1ccccc1)Nc1cccc(F)c1C#N 710978937 GVNVFONBCGHWMG-GFCCVEGCSA-N 270.307 3.577 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 398196749 ULBMMHGXNBVCJA-CHWSQXEVSA-N 262.353 3.990 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1ccc(CC#N)cc1 399224539 MBHAYWMAHMEBOK-OAHLLOKOSA-N 264.372 3.946 30 20 CHED N#Cc1ccc(NCC[C@H]2CCCCO2)c(Cl)c1 223658656 KCRVHJQPLPFNBX-GFCCVEGCSA-N 264.756 3.583 30 20 CHED C=C(Br)CNC/C(C)=C\c1ccccc1 105453335 NGUTWJRFDFPEMT-FLIBITNWSA-N 266.182 3.588 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCCCCC#N 170886654 FOPONQQJZAJTTF-GFCCVEGCSA-N 293.798 3.736 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(F)c2F)c1 103027166 XHVKGTWHDNMJRT-UHFFFAOYSA-N 285.293 3.613 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1nc(C)cs1 176964916 RLASTLRHJXOYLE-GFCCVEGCSA-N 277.418 3.626 30 20 CHED C=CCN1CCC(N[C@H](CC)c2cc(F)ccc2F)CC1 177907182 XURCPIANQKQIAB-QGZVFWFLSA-N 294.389 3.656 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(F)c(Cl)c1 134216780 YZJDQSPBSYPPNF-UHFFFAOYSA-N 255.720 3.517 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2c[nH]c3ccccc23)n1 22798094 PXZRJFDPNRHVFV-UHFFFAOYSA-N 290.370 3.706 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cccc(C)c2O)cc1 179484283 VMWLWQLEYYKTBJ-UHFFFAOYSA-N 294.354 3.570 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc(C)cc2C)CC1 177910434 XEAOYAOYWJBTBF-MRXNPFEDSA-N 272.436 3.604 30 20 CHED C=C(C)CN1CCC(NCc2cc(Cl)ccc2F)CC1 119125525 PXNKEDWUVSOCLM-UHFFFAOYSA-N 296.817 3.609 30 20 CHED C#CCCCCC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 119915687 WZLUSBRVFOPKAG-INIZCTEOSA-N 271.404 3.544 30 20 CHED N#CCC1(COC(=O)/C=C/c2ccc(Cl)s2)CC1 174733954 PURLFMZXQSFIMC-DUXPYHPUSA-N 281.764 3.652 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2ccc(C#N)nc2)C1 301520272 NBMHCAXDQMJVRF-GOSISDBHSA-N 277.371 3.511 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(C)nn(-c2ccccc2)c1C 116931811 UGTBDYRGPUWEAY-GFCCVEGCSA-N 298.390 3.575 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CCc3cc(F)ccc32)c1 302130134 XTTZPAVAFLHCTA-KRWDZBQOSA-N 294.329 3.999 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cccc(C#N)c2)c1 66463717 WWNSUWYSYCHZAS-UHFFFAOYSA-N 292.338 3.765 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 119957039 DTPPXVFEHJMHHM-DLBZAZTESA-N 281.403 3.698 30 20 CHED C=CCCN(C)[C@H]1CCCc2nc(CC)sc21 152689192 CTSFSIAFTSFBGD-LBPRGKRZSA-N 250.411 3.591 30 20 CHED C#CCCSc1nnc(-c2ccc(C)cc2)n1CC=C 179283072 UTQWFAHCOLFMLK-UHFFFAOYSA-N 283.400 3.555 30 20 CHED C[C@H]1SCCN(CCCCC#N)[C@@H]1c1ccccc1 118423008 QVKZAMWDTYYYHF-ZBFHGGJFSA-N 274.433 3.859 30 20 CHED N#CC[C@@H](OC(=O)C1(c2ccccc2)CC1)c1ccco1 1263660294 BHIDJPUYDCDITP-OAHLLOKOSA-N 281.311 3.509 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)c1ccc(C#N)cn1 301350144 VMWRBMOMRRNNMF-LBPRGKRZSA-N 285.778 3.674 30 20 CHED COc1cccc2c1CCN(c1ccc(C#N)c(Cl)c1)C2 302180367 NTGQSOJCLPIKEE-UHFFFAOYSA-N 298.773 3.783 30 20 CHED CCO[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2O)C12CCC2 125183205 XQBZVTFWNPBQRA-NUUDIBSWSA-N 293.794 3.812 30 20 CHED Cc1ccc2cccc(C(=O)Oc3ccc(C#N)cc3)c2n1 123601833 AQUAMQLDCBQDAV-UHFFFAOYSA-N 288.306 3.634 30 20 CHED Cc1cc(-c2nnc(C#CC(C)(C)C)o2)c2ccccc2n1 1349957307 YWZPYGVOYAPNRY-UHFFFAOYSA-N 291.354 3.991 30 20 CHED CN(CC[C@@H]1CCCO1)c1cc(C#N)ccc1C(F)(F)F 302607930 BBNAOMWMVYJPOK-LBPRGKRZSA-N 298.308 3.582 30 20 CHED C=C(C)CN(C)C(=O)c1cc(C)c(OC(F)F)c(C)c1 180422422 CPNBOGBGGNUAPJ-UHFFFAOYSA-N 283.318 3.553 30 20 CHED C=CCN(Cc1ccccc1)c1ccc(C(F)(F)F)nn1 302076075 WEBOEGWZKAVUGZ-UHFFFAOYSA-N 293.292 3.688 30 20 CHED CCOc1ccccc1[C@@H](C)NCc1ccc(C#N)cc1 37748294 INNQUESFXKRFIF-CQSZACIVSA-N 280.371 3.808 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@@H](C)c1ccc(F)cc1F 120843765 MRKMFQXXFQPECS-BDJLRTHQSA-N 294.345 3.513 30 20 CHED COc1ccc(CNc2cccc3ncccc23)cc1C#N 124919500 JRSMOQPKEUAOBP-UHFFFAOYSA-N 289.338 3.727 30 20 CHED N#Cc1cccc(NC2CCN(C3CCCCC3)CC2)c1 183375260 RFDSKVDZIDFBGQ-UHFFFAOYSA-N 283.419 3.767 30 20 CHED C=CCC[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 302240985 XTIBIUYNHZHTCO-AWEZNQCLSA-N 284.319 3.504 30 20 CHED N#CCc1ccc(NC(=O)c2sccc2Cl)cc1 126471820 OOSXCRLXWLDACL-UHFFFAOYSA-N 276.748 3.720 30 20 CHED C[C@H](NC(=O)c1sccc1C#N)c1ccc(Cl)cc1 128002791 CPXQZVPIJAYMBJ-VIFPVBQESA-N 290.775 3.764 30 20 CHED C=C(C)CN(C)C(=O)C1(c2cccs2)CCCCC1 180448450 GNLTWYCGONNAAZ-UHFFFAOYSA-N 277.433 3.985 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CC[C@H]2C[C@H]12 412848899 ZMVPYEURIJCRHE-FJIDUMEYSA-N 283.415 3.726 30 20 CHED CCCCOc1ccc(CN(CC)C[C@H](C)C#N)cc1 509771315 FHJIWMVAIZVPCZ-OAHLLOKOSA-N 274.408 3.847 30 20 CHED CC[C@](C)(C#N)C(=O)NCCc1cccc(Cl)c1Cl 506206570 VJYZRKHFJJJOEU-CQSZACIVSA-N 299.201 3.592 30 20 CHED C[C@H](Cc1ccc(O)cc1)N[C@H](C)c1cccc(C#N)c1 181696409 MWKZQVIEWVJLHM-ZIAGYGMSSA-N 280.371 3.546 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416075880 GEDRPNPUSDYQMH-SJCJKPOMSA-N 270.376 3.681 30 20 CHED C=C(C)CCN1CC[C@@H](Oc2ccccc2Cl)C1 508990977 JWMKIZOHANBMFZ-CYBMUJFWSA-N 265.784 3.759 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@](C)(C#N)CCc1ccccc1 186853378 WRKYFTDKZQUNCT-AYBZRNKSSA-N 298.430 3.844 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1ccccc1F 187844644 SVGBYGPVIPBCSC-QGZVFWFLSA-N 277.383 3.822 30 20 CHED CC[C@H](C#N)Sc1ncnc2sc3c(c12)CCC3 127101126 ONTODROYRUNFJV-MRVPVSSYSA-N 275.402 3.574 30 20 CHED C=CC[C@H](CC)N[C@H](C)Cc1cc(OC)c(OC)cc1C 502355326 PJTBUBIKJVJSSJ-ZBFHGGJFSA-N 291.435 3.888 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@H]1c1cccnc1 370088298 CELIVZRPERWUQL-HNNXBMFYSA-N 283.762 3.948 30 20 CHED N#Cc1ccc(N2CCC3(CCOCC3)CC2)cc1Cl 376464134 YIMZULHGSSNQRV-UHFFFAOYSA-N 290.794 3.609 30 20 CHED CC(C)N(CC1CCC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412294579 RUUFMWVLPVKKJU-ZWKOTPCHSA-N 296.414 3.699 30 20 CHED C=CCC1(C(=O)N[C@@H](C)C2(OC)CCC2)CCCCC1 416020381 CCHIHNRAFGSQGC-AWEZNQCLSA-N 279.424 3.587 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C)C1CC1)c1ccccc1 186249575 VYSRRBMIDAXLCG-CJNGLKHVSA-N 257.377 3.651 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2ccccc2CC#N)CC[C@H]1C 410828534 NUBNMWRTJQYAGP-IPYPFGDCSA-N 270.376 3.763 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CCO[C@@H](C(C)C)C1 500974615 PIFRWOVHKDDJHU-WMLDXEAASA-N 288.391 3.572 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)CC(F)(F)F)CC1 187293838 VRMRZWQQRGSINQ-UHFFFAOYSA-N 290.329 3.554 30 20 CHED CC(C)Oc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 71923692 HMNWKTZTXJYLEB-MFOYZWKCSA-N 296.322 3.796 30 20 CHED CCc1csc(N2CC=C(c3ccc(C#N)cc3)CC2)n1 502802775 PIVBHZJORDTJPF-UHFFFAOYSA-N 295.411 3.871 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 75679357 DLUXUVSWIMDTHL-MRXNPFEDSA-N 284.403 3.598 30 20 CHED C=CCCc1ccccc1NC(=O)COc1cccc(F)c1 410381855 LCHBLOSLSGRDDN-UHFFFAOYSA-N 299.345 3.962 30 20 CHED C#CCCCCC(=O)OCc1cc2ccccc2o1 180612676 PVVQUOOHFSLWCU-UHFFFAOYSA-N 256.301 3.670 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 285118847 VIEOIAOPITYKSM-AWEZNQCLSA-N 299.201 3.892 30 20 CHED Cc1ccc(CCCO/N=C2/CCCOCC2)cc1 182966321 PHEYAZXMWVEXLL-MSUUIHNZSA-N 261.365 3.501 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(SCC)cc1 410140447 ALHJXBXGPVXFNL-CYBMUJFWSA-N 263.406 3.883 30 20 CHED Cc1cc(CSCCn2cc(Cl)cn2)ccc1C#N 419595816 XHVGEEROCPDSNJ-UHFFFAOYSA-N 291.807 3.650 30 20 CHED COc1ccc(C#N)cc1CSCCC1(OC)CCC1 419490766 IPYHXGPIVNVRMM-UHFFFAOYSA-N 291.416 3.759 30 20 CHED CO[C@@H]1CCC[C@@H](C(O)=Nc2scnc2C2CC2)C1 328961340 QQBOHSGDEBRCCA-GHMZBOCLSA-N 280.393 3.814 30 20 CHED CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 45027247 PAARYVPSQSVFTB-UHFFFAOYSA-N 297.333 3.751 30 20 CHED CCCc1[nH]ccc1C(=O)N[C@H](C#N)c1ccc(CC)cc1 421913979 SPEKXENNJOWMQK-QGZVFWFLSA-N 295.386 3.524 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)cc1C 44765228 SXHOTWFKUCRDPG-UHFFFAOYSA-N 264.756 3.917 30 20 CHED CCS[C@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 421369471 VTRAEIUJSUOFEF-GJZGRUSLSA-N 292.423 3.851 30 20 CHED C[C@@H](OC(=O)/C=C/c1ccccc1C#N)c1ccccc1 192694792 JYDHDDROIXJZNK-GCZGRYASSA-N 277.323 3.876 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@H](CC(F)(F)F)C1 420618450 CZZBPMJXGDXKAZ-SNVBAGLBSA-N 286.272 3.866 30 20 CHED C=CCCCCCCNC1CCN(C(C)C)CC1 380818360 WPCJEFCJKPRQLN-UHFFFAOYSA-N 252.446 3.585 30 20 CHED N#Cc1cc(Br)ccc1NC[C@H]1CCCS1 130467142 IIQWZBJTHYEMSF-LLVKDONJSA-N 297.221 3.628 30 20 CHED COc1ccccc1CN(CC(C)(C)CCC#N)C1CC1 130183385 VLEMJJRNGALXGJ-UHFFFAOYSA-N 286.419 3.990 30 20 CHED C=CCCOCCNc1nc2c(cc1C#N)CCCC2(C)C 428146652 QDDCQLZXQUNUHY-UHFFFAOYSA-N 299.418 3.572 30 20 CHED CCc1ccc2c(c1)[C@H](CC/N=C(/O)C1CC1)C(O)=N2 328767377 PVFPHBAMPRESTQ-LBPRGKRZSA-N 272.348 3.691 30 20 CHED CC(C)CN(C(=O)[C@@]12CCC[C@@H]1C2)c1ccc(C#N)cc1 421437967 QJPJRZUFIPFMBY-CRAIPNDOSA-N 282.387 3.737 30 20 CHED Cc1cccc(N/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 329631591 RNHQBTARCJHGBW-BFHYXJOUSA-N 273.380 3.685 30 20 CHED N#Cc1ccc(N[C@@H]2CCSc3ccc(F)cc32)nc1 42848082 ORXTZEJGGQMCNI-CYBMUJFWSA-N 285.347 3.741 30 20 CHED Cc1ccc(SCC(=O)N(C)c2cccc(C#N)c2)cc1 143483855 QZLKOPAHWVYADU-UHFFFAOYSA-N 296.395 3.622 30 20 CHED CC(C)(C#N)CC(=O)N1CC[C@H](c2ccccc2)C1(C)C 335014131 KTAPARBAVGGMIV-OAHLLOKOSA-N 284.403 3.721 30 20 CHED CCOCc1ccc(NC(=O)c2cccc(C#N)c2C)cc1 337955216 KPTHEWPSGJJDFU-UHFFFAOYSA-N 294.354 3.656 30 20 CHED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 335674021 OOFHOTBIZONOKK-UGSOOPFHSA-N 262.356 3.896 30 20 CHED CC1(C)[C@@H](N[C@@H]2CC[C@H](C#N)C2)C[C@@H]1Oc1ccccc1 424320283 FZNGDIYGQZCVGF-FSDCSDTHSA-N 284.403 3.514 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC(F)F)cc2)CCC1 190437823 PAZIQEVDMTWVTA-UHFFFAOYSA-N 281.302 3.973 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)c2scnc2C(C)C)o1 331341954 SUQMKPOBDDYPNJ-VIFPVBQESA-N 279.365 3.629 30 20 CHED Cc1ccccc1C1(C(=O)N2CCC(CC#N)CC2)CCC1 336401389 XUXYCYVSGVDKII-UHFFFAOYSA-N 296.414 3.569 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(C)cc2OC)no1 424350150 AQZBPQGMJXIBPU-UHFFFAOYSA-N 272.348 3.907 30 20 CHED CC(C)CCN(CCC#N)c1ncnc2ccc(F)cc12 92686671 SAWMWMFLMIDYCJ-UHFFFAOYSA-N 286.354 3.535 30 20 CHED Cc1cc(C)cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1 518242321 FJKVQWOUNQZWOH-SFHVURJKSA-N 284.403 3.896 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1 96766314 ZJPFUDJYNLBRKH-YWEYNIOJSA-N 269.250 3.733 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCC(C)(C)C#N 512793839 XHOKTUZIROJKRE-GFCCVEGCSA-N 299.374 3.685 30 20 CHED C=CCN(Cc1cc(OC)cc(C)n1)Cc1cccs1 339829438 IIPWVZGCBXOOMM-UHFFFAOYSA-N 288.416 3.648 30 20 CHED Cc1cc(C)n(-c2cccc(N[C@H]3CC[C@H](C#N)C3)c2)n1 334801458 BWBQVWMKXQMMCM-HOCLYGCPSA-N 280.375 3.593 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1C)c1nc(C)cs1 337801691 IQUDWRMOOZASID-CQSZACIVSA-N 299.399 3.513 30 20 CHED CC(C)[C@H]1N(Cc2ccc(C#N)s2)CC12CCC2 430086260 CUXXNSFFMBTVJO-CQSZACIVSA-N 260.406 3.630 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)C(C1CC1)C1CC1 92704015 UAPWUKFLXRTKQN-UHFFFAOYSA-N 298.430 3.990 30 20 CHED N#Cc1nn(Cc2ccc(Cl)c(F)c2)c2ccccc12 432481870 XSNWZHRTMBYKTC-UHFFFAOYSA-N 285.709 3.749 30 20 CHED CCc1occc1C(=O)Nc1sc(C)c(CC)c1C#N 430546983 YPLXQHYHKDRCRL-UHFFFAOYSA-N 288.372 3.898 30 20 CHED Cc1cccc(C)c1NC(=O)/C=C\c1ccccc1C#N 96400611 VNDHKMQWCSCRLS-KHPPLWFESA-N 276.339 3.827 30 20 CHED COC(=O)c1ccc(OCCCC(C)(C)C#N)c(Cl)c1 267061159 QUXLDDBWCQSWAX-UHFFFAOYSA-N 295.766 3.835 30 20 CHED C=C(C)CS(=O)(=O)N[C@@H](CC(C)(C)C)c1ccccc1 435428304 RMJXJXYYWARUTQ-HNNXBMFYSA-N 295.448 3.659 30 20 CHED C=CCN1CCC(N[C@H](C)c2cccc(C3CC3)c2)CC1 340230000 DUCBBMWKSLCYSC-OAHLLOKOSA-N 284.447 3.865 30 20 CHED CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccn(C)n1 349777060 NXWWSNMUFGJCLL-INIZCTEOSA-N 298.390 3.666 30 20 CHED Cc1cc(C#N)cc(N2CCC[C@@H](c3ccccc3)C2)n1 431477953 PCQQYVVKMLSHOX-QGZVFWFLSA-N 277.371 3.646 30 20 CHED C[C@@H](CCC#N)CN[C@H](c1cccc(F)c1)c1ccccn1 602578342 DGYSHQKCKQEKLA-KBXCAEBGSA-N 297.377 3.840 30 20 CHED COc1cncc(CN(CC(C)C)c2ccc(C#N)cc2)c1 343831552 YDJLULWVVNUBFU-UHFFFAOYSA-N 295.386 3.624 30 20 CHED C=CC[C@@H](CO)CN[C@H]1CCSc2c(Cl)cccc21 341871327 DFECFLWNYPHHKC-RISCZKNCSA-N 297.851 3.651 30 20 CHED C=C1CCN(C(=O)c2cnn([C@@H](C)CC)c2C2CC2)CC1 340623290 WFYJIZXXKUCWCL-ZDUSSCGKSA-N 287.407 3.524 30 20 CHED CN(Cc1cccc(Cl)c1Cl)CC1(C#N)CC1 343239899 RZDLDSYNVZQXRU-UHFFFAOYSA-N 269.175 3.729 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1c1ncc(C#N)cc1Cl 523754124 KYVXUXWMPVUGHM-WFASDCNBSA-N 297.789 3.989 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CC=CC[C@@H]1C 342511011 SYWCNVSUNIWONY-HOCLYGCPSA-N 276.424 3.767 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 252216720 ZJQILAAUDHDWJY-DDFAGTSDSA-N 264.756 3.580 30 20 CHED C=CCCN(C)C(=O)c1occc1-c1ccc(F)cc1 342021325 ROOAFBLLBMUNLO-UHFFFAOYSA-N 273.307 3.734 30 20 CHED CC[C@@H](CNC(=O)c1ccccc1CC#N)c1ccccc1 600970151 HDDRWLACQPMOFF-HNNXBMFYSA-N 292.382 3.676 30 20 CHED COc1ccc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)cc1 255233676 UPGWOZOLPUKRHZ-FLIBITNWSA-N 298.386 3.622 30 20 CHED N#CCc1ccccc1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 601602839 CHSZYAOPVXGUNY-WMZOPIPTSA-N 296.414 3.699 30 20 CHED C=C(CC)CNc1ccc(Cl)cc1C(=O)N1CCCC1 358670300 WOWLWFYWFDOCMD-UHFFFAOYSA-N 292.810 3.954 30 20 CHED CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1c(C)noc1C 353268989 SIFGHQYZVSNOCS-SJORKVTESA-N 295.386 3.891 30 20 CHED C=CCCCCCN(C)S(=O)(=O)c1ccc(C)c(C)c1 606909372 IOTPNKYRHNZXQR-UHFFFAOYSA-N 295.448 3.670 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@H](CC)C2)cc1 607077828 SAZFILQJINYFLQ-GOEBONIOSA-N 287.403 3.950 30 20 CHED C=CCCC1(C(=O)Nc2ccc(-n3cccn3)c(F)c2)CC1 354671156 JPVMEJKBBGWNQZ-UHFFFAOYSA-N 299.349 3.696 30 20 CHED N#Cc1cnc(N[C@@H]2CCc3ccc(F)cc32)c(Cl)c1 609288447 XHSNLNIJPPDECO-CQSZACIVSA-N 287.725 3.845 30 20 CHED C=CCCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 359024409 DJSPLTQRZPGQEG-UHFFFAOYSA-N 274.364 3.576 30 20 CHED CN(Cc1cc(C#N)ccc1F)CC1(c2ccccc2)CC1 444681545 VEGDOZTWTMOZDF-UHFFFAOYSA-N 294.373 3.861 30 20 CHED CO[C@@H](c1ccccc1F)[C@H](C)Nc1ccc(C#N)cc1 539393242 RONACUDCXAAKBD-YVEFUNNKSA-N 284.334 3.885 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCCC[C@H]1CC 538603344 ATMVVRIJEFLWAG-HZSPNIEDSA-N 252.402 3.609 30 20 CHED Cc1cccc(C(C)C)c1NC(=O)CON=C1CCC1 265435106 GOIPJYCFNFQBCE-UHFFFAOYSA-N 274.364 3.613 30 20 CHED CCOc1ccc(C#N)cc1NC1CCC(C)(C#N)CC1 449225324 KFDMBABRZAXWSX-UHFFFAOYSA-N 283.375 3.841 30 20 CHED C[C@@H](NCCCCC#N)c1cc2cccc(F)c2o1 355744484 FQARPXUIKNWLIA-LLVKDONJSA-N 260.312 3.916 30 20 CHED C[C@@H](Nc1ncnc2ccsc12)c1cccc(C#N)c1 610340453 XSXWINSSJGXOBM-SNVBAGLBSA-N 280.356 3.736 30 20 CHED C=CC[C@H](CO)CN[C@H](c1ccc(Cl)cc1)C(C)C 537097297 JMNLYJOTTSHTKN-BBRMVZONSA-N 281.827 3.811 30 20 CHED N#CCCN(Cc1ccccn1)C(=O)CCC1CCCCC1 264082502 QLSBAYBWWVHUBH-UHFFFAOYSA-N 299.418 3.684 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(=O)OCC)cc2)CCC1 358128044 SXBYYLARCWWOIR-UHFFFAOYSA-N 287.359 3.548 30 20 CHED CC[C@H](CC#N)NC(=O)C(C)(C)c1ccc2ccccc2c1 613037413 SSNQCJBUHHVAMO-QGZVFWFLSA-N 294.398 3.926 30 20 CHED CC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ncc[nH]1 616378940 JCTOIPFGMJKBQR-GFCCVEGCSA-N 283.379 3.537 30 20 CHED C=C(C)[C@@H](CC(=O)N(C(C)C)C1CCCCC1)OCC 534472573 FDAGBBBBGFOPOS-MRXNPFEDSA-N 281.440 3.927 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)no1 453173886 ZKKCQOIXXZMDQQ-DIFFPNOSSA-N 281.359 3.835 30 20 CHED C=CCCCNC(=O)C1(C(F)(F)F)CCCCC1 614208978 BOLSUZHVFOLKSG-UHFFFAOYSA-N 263.303 3.582 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)CCc1ccccc1F 452772856 GVDIQFKWSVPGRX-CYBMUJFWSA-N 277.383 3.723 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](c2ccccc2F)C1 268168875 GAMIBJRHAMGVCI-OAHLLOKOSA-N 287.378 3.910 30 20 CHED C[C@]1(C#N)CCCN(Cc2cccc(-c3ccccn3)c2)C1 612406070 HQVVBIRWKLFVKI-LJQANCHMSA-N 291.398 3.874 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(CCCC(C)(C)C#N)C1 363830488 UVMMUXJHPGVVGE-GDBMZVCRSA-N 271.408 3.794 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCC(F)(F)F)C1 617781375 LCHNLPCILKELLI-LLVKDONJSA-N 263.303 3.534 30 20 CHED N#CCCCC(=O)Nc1ccc(Cl)cc1-n1cccc1 361854158 HVDJQBPMIZIEDE-UHFFFAOYSA-N 287.750 3.763 30 20 CHED CC(C)(C#N)CNCCCc1c(F)cccc1Cl 618604713 GIAZQHMZVJXJMY-UHFFFAOYSA-N 268.763 3.551 30 20 CHED C=CCN(C(=O)c1ccc(-c2ccccc2)o1)[C@H](C)COC 617581604 VAGQLIRJTFJHGZ-CQSZACIVSA-N 299.370 3.610 30 20 CHED C=C(C)CCNC(=O)C1(Cc2cccc(Cl)c2)CC1 456120084 KDXATMIXGHQZMW-UHFFFAOYSA-N 277.795 3.745 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC1CCC1)C(C)C 458815172 XKKFZSVLLRNGDG-UHFFFAOYSA-N 266.429 3.809 30 20 CHED CO[C@H](CN1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 619781315 UFBPRGIRESWLSZ-CVEARBPZSA-N 292.810 3.653 30 20 CHED C=CCCCC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 456459132 SKELCIIBUBDKRK-NSHDSACASA-N 283.293 3.564 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCC(C)(C)CC#N 459260368 POGOUVUVANPMQO-ZBFHGGJFSA-N 299.418 3.514 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](CCC)C(C)C)C1 617781755 UAPJWDQBDRFNEV-CABCVRRESA-N 251.414 3.873 30 20 CHED Cc1cc(F)ccc1C1CCN(C[C@@H](C#N)CCC#N)CC1 366389771 XCGJGXLPAYMFLT-OAHLLOKOSA-N 299.393 3.757 30 20 CHED C=CC[C@@H](C(=O)N1CC2CCC1CC2)c1ccccc1 364420090 UTBFPNHJEAZZKE-BDVYOWHSSA-N 269.388 3.747 30 20 CHED C=CCN(CCc1ccco1)C(=O)NCC(C)(C)CC=C 458805840 BBOXORVIVLXLDV-UHFFFAOYSA-N 290.407 3.622 30 20 CHED C=CCCOCCCCC(=O)Nc1cncc(Cl)c1C 452224439 DBXCERQWYBVHNT-UHFFFAOYSA-N 296.798 3.745 30 20 CHED C=C(C)CCNC(=O)c1cc(OC)c(C(C)C)c(OC)c1 452717605 MLEVYZXDPUSHGR-UHFFFAOYSA-N 291.391 3.523 30 20 CHED C=CCCCCNC(=O)c1ccc(F)cc1C(F)(F)F 274608125 JPGCYRMOIXJJNY-UHFFFAOYSA-N 289.272 3.931 30 20 CHED C=C(C)CN[C@H](C)c1nc(-c2ccc(CC)cc2)no1 273273939 FKVNDVDMSQJJGN-GFCCVEGCSA-N 271.364 3.526 30 20 CHED C=CCN(C(=O)c1scnc1C(C)C)C(C)(C)C 622945935 YQQCOZZCSPBHTD-UHFFFAOYSA-N 266.410 3.693 30 20 CHED C=CCC1(CNC(=O)c2c[nH]nc2-c2ccoc2)CCCC1 456499435 BSRCEVZJQRFRQV-UHFFFAOYSA-N 299.374 3.536 30 20 CHED C=CCC(CC=C)c1nc(CCc2ncccc2C)no1 453223249 MAJWIAKPRPIOGW-UHFFFAOYSA-N 283.375 3.794 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C 457777014 BLDBKEDZFWVWKO-AFIMGQEJSA-N 293.451 3.546 30 20 CHED CCCc1cc(C(=O)Nc2scc(C)c2C#N)ccn1 362246685 SIECGOQVKBMVCY-UHFFFAOYSA-N 285.372 3.528 30 20 CHED C=C(C)CNC(=O)N(CCC)[C@H](C)c1ccccc1OC 275062593 ZVVBXVFMFWWHAT-CQSZACIVSA-N 290.407 3.754 30 20 CHED CN(Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C#N)C1 278746277 WTNOYPLTEWAVBF-GXTWGEPZSA-N 293.208 3.573 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(Cl)nc1 272299056 PLZNFUMEYCJMPA-UHFFFAOYSA-N 276.767 3.559 30 20 CHED C=CCN(CC=C)Cc1c(C)nc2scc(C3CC3)n12 459288895 GHLUFNGICUFYLB-UHFFFAOYSA-N 287.432 3.756 30 20 CHED CC1(C)CCC[C@H](C(=O)N(CCC#N)Cc2ccco2)C1 270131532 XXEOAPWPRJADFS-AWEZNQCLSA-N 288.391 3.738 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 270183571 AECUBIVTQFBVQC-OAHLLOKOSA-N 296.395 3.791 30 20 CHED CCN(CCc1csc(C)n1)[C@@H](C)c1ccc(C#N)cc1 271301813 OURQOPADJDYFQQ-ZDUSSCGKSA-N 299.443 3.949 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc(Cl)c1C 622803827 WHKLSADAYZDUBF-ZDUSSCGKSA-N 292.810 3.649 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(C#N)cc1 271267061 BVSIWCZMYTUQTI-FZKQIMNGSA-N 298.361 3.563 30 20 CHED CCCCCCCCC(=O)N1CCC(c2cn[nH]c2)CC1 371030327 FWNKBBARICFRHM-UHFFFAOYSA-N 291.439 3.866 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 467987473 BQTXBUDQBKHYFJ-QGZVFWFLSA-N 273.376 3.941 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@H](SC)C(C)(C)C 543165723 BPNWSALIFMOHQD-OLZOCXBDSA-N 286.485 3.808 30 20 CHED C=CCCN(C)CCCc1ccccc1Br 467291525 WIDATTNZYXYKNW-UHFFFAOYSA-N 282.225 3.890 30 20 CHED N#CC1(CCCN2CCC[C@@H]2C2CCCC2)CCOCC1 374146706 GEQULLUXRRWMIU-QGZVFWFLSA-N 290.451 3.742 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@H](CC(C)C)C1 465307893 PIUHKNFSIXKCHN-OAHLLOKOSA-N 287.403 3.760 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H]1[C@@H]1CCCO1)c1ccccc1 284616159 IUMXQCWSXMXACM-NJAFHUGGSA-N 299.414 3.516 30 20 CHED C=CC[C@@H](CC)NC(=O)C1=Cc2cc(Cl)ccc2OC1 466526596 BVKRRBOUBVNHAX-CQSZACIVSA-N 291.778 3.587 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCCCC(C)(C)C 552805761 CYWNYRZFOODTBW-CYBMUJFWSA-N 252.402 3.601 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)C1CC1 288255038 BYTZVNKSRQPHTB-UHFFFAOYSA-N 282.387 3.509 30 20 CHED CC[C@H]1CCc2nc(NC(=O)[C@@](C)(C#N)CC)sc2C1 285006934 HGHVWKNVIMLEPC-ZUZCIYMTSA-N 291.420 3.536 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1OC(C)(C)C 465246723 OVLUPAGBIJTXKO-NSHDSACASA-N 262.353 3.560 30 20 CHED C=CCC1(C(=O)N2CCC3(CCSCC3)CC2)CCC1 633940242 RLCJSWXUOTVYEJ-UHFFFAOYSA-N 293.476 3.869 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1ccccc1O 287990346 KNZRYWVKMMIZSR-UHFFFAOYSA-N 290.407 3.670 30 20 CHED C[C@H]1CC[C@H](c2ccccc2)N(c2ncccc2C#N)C1 553337739 TVHYQOMIBBSYJO-WMLDXEAASA-N 277.371 3.931 30 20 CHED C=C(Cl)CN[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 280138905 DOIVXRNXOXYEPL-RYUDHWBXSA-N 283.799 3.538 30 20 CHED CCOC[C@H](NCc1ccccc1C(C)(C)C#N)C(C)C 286146256 NHQBXZLZQSHDSQ-KRWDZBQOSA-N 288.435 3.638 30 20 CHED Cc1ccccc1-n1cc(/C=C/C(=O)c2ccsc2)nn1 806572055 UPNFOLIDSNRGBK-VOTSOKGWSA-N 295.367 3.533 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)c2ccsc2)c1 801609963 FQVSSFGLZHJWDS-LLVKDONJSA-N 270.357 3.612 30 20 CHED CC(C)[C@H]1N(c2snc(Cl)c2C#N)CC12CCC2 291627971 AGYJQWIARFGFIQ-SNVBAGLBSA-N 281.812 3.683 30 20 CHED C=CCCc1noc(-c2cc(C3CC3)nc3onc(C)c23)n1 297252459 JKAWIGSBDPTIDS-UHFFFAOYSA-N 296.330 3.577 30 20 CHED C#Cc1ccc(CN2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)cc1 809549504 JGBUHOLLFCSJEU-FUHIMQAGSA-N 296.458 3.505 30 20 CHED C=CCCCCCCNC(=O)N1CCCC12CCC2 807572748 QZAXITQGARMFBQ-UHFFFAOYSA-N 264.413 3.851 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)OC3(CCCC3)C2)CCCC1 648700554 IPDASKYECKYNAN-OAHLLOKOSA-N 291.435 3.683 30 20 CHED C=C(C)[C@H](Nc1cccc(C#N)n1)c1ccc(F)c(F)c1 475726377 SUWQDTYXDRNAPW-INIZCTEOSA-N 285.297 3.961 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cnn(C2CCOCC2)c1C 295159499 SADNLYOSQZKISK-OLZOCXBDSA-N 277.412 3.556 30 20 CHED C#C[C@H](NC(=O)CSc1ccc(C)cc1C)C(C)(C)C 807882736 YYKIEGGNEWQVDR-HNNXBMFYSA-N 289.444 3.560 30 20 CHED Cc1cc([C@H](C)N[C@@H](CCC#N)c2ccccc2)no1 290766263 RXJIDJKLGFINQJ-ZFWWWQNUSA-N 269.348 3.679 30 20 CHED C=CCCCCCCCNC(=O)Nc1c(C)nn(C)c1C 809887735 LIYYNLHCOCHYHX-UHFFFAOYSA-N 292.427 3.685 30 20 CHED N#CC1(CCSC[C@H]2CCNC(=O)CC2)CCCCC1 563622369 HTJUPYRYCREAAE-CQSZACIVSA-N 294.464 3.500 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2ccc(OC)cc2)C1 292353097 UGQBCSQFCVSCJV-HNNXBMFYSA-N 287.403 3.613 30 20 CHED C=CCN(C[C@H](C)Cc1ccc(OC)c(F)c1)C1CC1 470309302 QCFCVJALPAACMS-CYBMUJFWSA-N 277.383 3.663 30 20 CHED CC1CCC(c2noc(-c3ccccc3OCC#N)n2)CC1 809344252 NBGMSITXPMGQFV-UHFFFAOYSA-N 297.358 3.933 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1ccsc1)C2=O 809157835 WFDXUHPRWKJXKB-POHAHGRESA-N 274.316 3.718 30 20 CHED C[C@@H](CN1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)(C)C 802641879 JNDHKBOZYIZCFO-WMLDXEAASA-N 286.419 3.614 30 20 CHED Cc1c(C(=O)OCC#Cc2ccc(F)cc2)ccn1C(C)C 815318083 CFKYOIQKZCIXBM-UHFFFAOYSA-N 299.345 3.725 30 20 CHED C=CCOc1ccc(Oc2nccc(C#N)c2Cl)cc1 561206696 VUAHIZYJCFEVKB-UHFFFAOYSA-N 286.718 3.964 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)c1ccccc1Cl 488560697 DQHDOMQAZCQDOP-LBPRGKRZSA-N 288.778 3.819 30 20 CHED Fc1cccc2c1SCCC2=NOC1CCC1 812235145 MVXGMYXLGSWDDW-UHFFFAOYSA-N 251.326 3.595 30 20 CHED C[C@@H]1C[C@@H](C(=O)O)CCC1=NNc1c(F)cccc1Cl 814904872 CIMBNZVHFXGPSW-BDAKNGLRSA-N 298.745 3.768 30 20 CHED C#CCCCCCC(=O)N[C@@H](C#C)c1ccc(Cl)cc1 811947826 PXMDCPIWDBBOOV-INIZCTEOSA-N 287.790 3.714 30 20 CHED N#Cc1cc(F)cc(OCCCc2ccsc2)c1 561694173 NPGWCCKBNURXEX-UHFFFAOYSA-N 261.321 3.770 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)c1ccc(C)cc1C 812886011 UZNLMPJRHUVJCB-UHFFFAOYSA-N 291.394 3.880 30 20 CHED C=CCCCCCN[C@H](C)c1cccc([N+](=O)[O-])c1 488167014 JHLLHEOVYRIIMO-CYBMUJFWSA-N 262.353 3.992 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(C(=O)CC)ccc1O 819978181 OVQZVYKZRKJJSK-LLVKDONJSA-N 275.348 3.526 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@@]2(C#N)CC2(C)C)cc1 484912253 QEANPKQPZIGTLP-FZKQIMNGSA-N 284.403 3.551 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CC[C@H]2C2CCC2)c1 814694547 OUNXHAYERDDMLY-ZDUSSCGKSA-N 259.309 3.573 30 20 CHED COC[C@@H](C)NN=C1CCCC[C@@H]1C1=CCCCC1 814895868 XXSQQAGNKIQHJW-UKRRQHHQSA-N 264.413 3.658 30 20 CHED C=CC[C@H](C)N[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 652165889 DCQNHAUGHNUPAW-JSGCOSHPSA-N 293.407 3.718 30 20 CHED CCOc1ccc(NN=Cc2ccc(F)cc2C)cc1 814983286 HFKVGTUMZBUANO-UHFFFAOYSA-N 272.323 3.979 30 20 CHED CCC(Cc1ccc(OC)c(OC)c1)=NOCCC1CC1 814247032 NVWDXUXLMBLDSL-UHFFFAOYSA-N 291.391 3.829 30 20 CHED C[C@H]1CCCC[C@H]1CNC1(c2cccc(C#N)c2)CC1 579867495 OOKOMFKTOHCIJY-HOCLYGCPSA-N 268.404 3.963 30 20 CHED CSC(C)(C)CC=NNc1cnc2ccccc2n1 814829848 MGWBWDXSHAMVQG-UHFFFAOYSA-N 274.393 3.559 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cncnc1C 655777380 UNYUNECXUYCXIT-DOTOQJQBSA-N 281.403 3.623 30 20 CHED CC(C)(O)CCNc1ccc(Oc2ccccc2)c(C#N)c1 488109918 LHHMREWEZIIBOH-UHFFFAOYSA-N 296.370 3.923 30 20 CHED Cc1ccc(NN=Cc2cc(F)c(F)c(F)c2)cc1 727968740 CFDMRYWTZHFDJZ-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C#C[C@@H](/N=C\c1cc(OC)ccc1O)c1ccc(Cl)cc1 811625729 UQSJFNNKOOJYJV-VXIUPONVSA-N 299.757 3.848 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1Cl 488837712 LJHALIQMTIGORS-OLZOCXBDSA-N 293.794 3.674 30 20 CHED Cc1cccc2c1CC[C@@H]2/N=C/c1ccccc1O 729641143 CZTIEKCUQRDODO-GYKGCMEESA-N 251.329 3.807 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1cn(C)c2ccccc12 726741076 SPIHBDFWONGKKG-CMDGGOBGSA-N 280.327 3.679 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2snc(Cl)c2C#N)o1 725788279 PUVYLIRXNJLJCV-VXNVDRBHSA-N 293.779 3.997 30 20 CHED Cc1cc(C(=O)OCc2ccc(F)cc2C#N)sc1C 728623151 WXZBZMADGWAIOZ-UHFFFAOYSA-N 289.331 3.733 30 20 CHED C=CCOc1ccccc1C(=O)NCCC1CCCCC1 496211005 OFFWXKCSCXXHLP-UHFFFAOYSA-N 287.403 3.952 30 20 CHED CCC[C@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 499331232 YDMGIRQVXHXTIC-JTQLQIEISA-N 264.756 3.976 30 20 CHED N#Cc1ncccc1NCc1ccccc1OC1CCCC1 577806249 BAOGJCUAUXUXSW-UHFFFAOYSA-N 293.370 3.887 30 20 CHED C#CCCOC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727955017 ISBZVVBUSABVFQ-QWRGUYRKSA-N 283.154 3.663 30 20 CHED C=CCC[C@H](NC(=O)N[C@@]12CCC[C@@H]1C2)c1ccccc1 664497047 NIHGUGILTYXKKY-SOLBZPMBSA-N 284.403 3.936 30 20 CHED C=C(C)CNC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 490030761 HOWMVQARVKZHOK-AWEZNQCLSA-N 275.392 3.578 30 20 CHED Cn1cc(C(=O)/C=C\c2cccc(O)c2)c2ccccc21 726741255 VAOXOQHZLDZQQE-KTKRTIGZSA-N 277.323 3.780 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](c1ccccc1)C1CC1 494238853 UGAVOZFAUPJSLD-IAGOWNOFSA-N 284.403 3.888 30 20 CHED C=CCC1(N[C@H]2CCC[C@@H](CC)C2)CCOCC1 668552548 OMCCOQBWGKTKDY-CABCVRRESA-N 251.414 3.670 30 20 CHED C=CCCCCN1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C 828468643 TUVCODRTTWWKBE-CABCVRRESA-N 296.455 3.578 30 20 CHED C=CCn1c(=S)n(CN(C)CC(F)F)c2ccccc21 728900021 BMHGERVVOGJHPK-UHFFFAOYSA-N 297.374 3.513 30 20 CHED C#CCCCCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 826882425 KHULZXLYZOIQAL-QZTJIDSGSA-N 283.415 3.880 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 664332075 CMSBESGPBIVQEI-AWEZNQCLSA-N 286.375 3.709 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@@H](O)c1cccc2ccccc12 825018492 PHIBGRAROLVKST-KBXCAEBGSA-N 297.398 3.592 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2ccsc2)CCCC1 664840261 YBKASPZWCHFBRS-GFCCVEGCSA-N 278.421 3.997 30 20 CHED CC1(C)CN(C(=O)CCCCCC#N)Cc2ccccc21 588162382 BTALYABVMGQTCY-UHFFFAOYSA-N 284.403 3.780 30 20 CHED CCCCCC[C@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 822350286 HMDJJMBLTDTFNH-YOEHRIQHSA-N 276.424 3.936 30 20 CHED COc1ccccc1[C@@H](CC(C)C)NC[C@@H](C#N)CCC#N 584405404 FGBZOJLBMGZFMV-NVXWUHKLSA-N 299.418 3.816 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccccc1Cc1ccccc1 491618287 CXDYFMHJHDREEX-HNNXBMFYSA-N 292.382 3.763 30 20 CHED C=C(CC)CN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 496408557 ZPNGFJIXURMHLQ-CQSZACIVSA-N 288.391 3.602 30 20 CHED C=CCC1(NCc2cccc(NC(C)=O)c2)CCCC1 661848635 LMQFUOBPLQTQIV-UHFFFAOYSA-N 272.392 3.624 30 20 CHED C=CC[C@H](C(=O)OCC1CC(F)(F)C1)c1ccccc1 835489281 CHRSPNZBAQUSJR-AWEZNQCLSA-N 280.314 3.935 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2c(C)noc2C2CC2)C1 666700263 KVEONFCQPKGQBQ-GFCCVEGCSA-N 289.379 3.680 30 20 CHED C#CCN(C(=O)[C@@H](C)c1cccc(C)c1)C1CCCCC1 739537616 YSYZOIMJIVJRMY-INIZCTEOSA-N 283.415 3.893 30 20 CHED CC(C)(C)C#CC(=O)N1CCC[C@@H]1c1cccc(F)c1 837356420 XYDNQKZDKMSXNB-OAHLLOKOSA-N 273.351 3.539 30 20 CHED CN(C)C[C@@](C)(C=NOCc1ccccc1)c1ccccc1 834938232 DHJPVQCJSRUXDJ-LJQANCHMSA-N 296.414 3.709 30 20 CHED C=CC(C)(C)COC(=O)c1cc(C)n([C@@H](C)CC)n1 835723353 TWQDEUNSEBQQKB-NSHDSACASA-N 264.369 3.532 30 20 CHED C#CCCCCC(=O)OC[C@@H]1CCCCC1(F)F 835641778 KKSUAJWHUVIEBZ-LBPRGKRZSA-N 258.308 3.549 30 20 CHED C=C(Br)CN1CC[C@@H](Cc2ccc(F)cc2)C1 736945199 FGCMBFPDNHCCAN-ZDUSSCGKSA-N 298.199 3.599 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1Cc1ccc(F)cc1C#N 738341876 SMINHWRFVUSIOJ-LBPRGKRZSA-N 298.336 3.956 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2cccc(C)c2nc1Cl 838208306 QFIYMHCKRJBEIC-NSHDSACASA-N 288.734 3.656 30 20 CHED C[C@H](C#N)OC(=O)CSc1ccc(C(C)(C)C)cc1 839274044 XHBJAFRXIZLJDY-LLVKDONJSA-N 277.389 3.531 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 835173161 ODOWUOCRUUDBRM-RDBSUJKOSA-N 295.386 3.874 30 20 CHED C#Cc1cccc(CN[C@H]2CCCOc3ccccc32)c1 834902761 LAKAQDWDTLSEOT-SFHVURJKSA-N 277.367 3.671 30 20 CHED C=CCCOCC(=O)Nc1ccc(SC)c(Cl)c1 673829614 OVITTWGNWHKSTR-UHFFFAOYSA-N 285.796 3.593 30 20 CHED C=CCC[C@H](CC)NC[C@@H](CO)c1ccc(Cl)cc1 672620505 QCHUACFDSGDWEX-HOCLYGCPSA-N 281.827 3.750 30 20 CHED Cc1sccc1C(=O)OC[C@H](C#N)Cc1cccs1 835260808 KSEDXYGVJVAVRC-NSHDSACASA-N 291.397 3.657 30 20 CHED C#CC1CCN(C(=O)Nc2cccc(Cl)c2C)CC1 831051749 AJGVLWDPBKNLFS-UHFFFAOYSA-N 276.767 3.526 30 20 CHED COc1cccc2cc(C(C)=NNCc3ccccc3)oc12 916344657 XMLOZWRICWPCMO-UHFFFAOYSA-N 294.354 3.955 30 20 CHED Cc1cc2c(F)c(OCC3(CC#N)CC3)ccc2[nH]1 596269025 QYTPLGLKULNHJB-UHFFFAOYSA-N 258.296 3.688 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CC[C@@H]2C[C@H]2C1 596510538 MFWNNPRNPUKZEC-MNOVXSKESA-N 283.762 3.606 30 20 CHED C=CCN(C(=O)NCC[C@H]1CCc2ccccc21)C(C)C 838639060 XBCZIYARPZQIIL-MRXNPFEDSA-N 286.419 3.713 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(-c2ccccc2F)o1)C1CC1 598127050 MVGMPCBYSNJASH-LLVKDONJSA-N 298.317 3.602 30 20 CHED CCCCCCCOC(=O)CSC(F)(F)F 918493764 GTPRVYIITVTMOL-UHFFFAOYSA-N 258.305 3.753 30 20 CHED CC(C)O[C@@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 593487791 WXFDUZLPJVVWJX-MRXNPFEDSA-N 295.386 3.500 30 20 CHED CC[C@H]1CCCN1Cc1ccc(-c2cncc(C#N)c2)cc1 592986850 MDDSJPAWRHPXBA-IBGZPJMESA-N 291.398 3.995 30 20 CHED C=CCCCOC(=O)CCc1c[nH]c2cc(C)ccc12 745758882 WTXYOSAVLBRTIL-UHFFFAOYSA-N 271.360 3.918 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)C1CCCC1 749363865 RFXKPTKIZQFTDD-CQSZACIVSA-N 287.378 3.614 30 20 CHED CC(Cc1ccc(-c2ccccc2)cc1)=NN(C)[C@H](C)CO 842545684 XPQHPCFEGWXLSQ-MRXNPFEDSA-N 296.414 3.585 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1cccc([N+](=O)[O-])c1 916581568 HRRSCVCYAYBBFG-UHFFFAOYSA-N 294.314 3.831 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)C1CCCCC1 592614057 FPKDNSUHUBVXLV-ZNMIVQPWSA-N 276.424 3.647 30 20 CHED C#CCC(C)(C)C(=O)NCc1cccc2ccsc12 844649904 NLROKVUEMAZJPF-UHFFFAOYSA-N 271.385 3.567 30 20 CHED C=C(C)CONC(=O)Nc1ccc(Cl)c(SC)c1 844706110 TZSWFJRJDHOKGW-UHFFFAOYSA-N 286.784 3.691 30 20 CHED C#C[C@H](OC(=O)[C@H](c1cccnc1)C(C)C)c1ccccc1 842363466 JPHZFMSVYSWVQQ-ROUUACIJSA-N 293.366 3.739 30 20 CHED C[C@H](NCc1cccc(O)c1Cl)c1cccc(C#N)c1 590186877 RBYYYQWYUANWFR-NSHDSACASA-N 286.762 3.768 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(CC)c(Cl)c1 844660250 KJKFHCXSDQDJPD-VIFPVBQESA-N 268.744 3.530 30 20 CHED CCCC[C@H](SCC1(C#N)CCCC1)C(=O)OC 917598089 FBRVMQCCSCCDIP-LBPRGKRZSA-N 269.410 3.535 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1ccc(C)cc1 840748398 GLQMVYPVQHDYRE-UHFFFAOYSA-N 262.422 3.884 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)cc1OC 678890478 IBRDJTFZIGWTPZ-CYBMUJFWSA-N 276.380 3.870 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 593680884 DLVIORNNYVHQCT-DFAYQTQMSA-N 297.185 3.515 30 20 CHED N#CCCCOc1cccc(CNC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 594985341 WNODSUOCJUMINJ-LAQRGFTBSA-N 296.414 3.503 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCC[C@@H](C)C1 747061991 QKVUSIQABAPRNJ-SNVBAGLBSA-N 261.325 3.881 30 20 CHED CC(C)(C)SCCCOC(=O)c1ccsc1C#N 923567839 VQHPXIGKXLWELI-UHFFFAOYSA-N 283.418 3.698 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2ccn(CCC)c2c1 743179547 OOCRWJRIWQUGNR-UHFFFAOYSA-N 291.782 3.925 30 20 CHED C=CCC[C@@H](NCc1cc2cccc(CC)c2o1)C(=O)O 849230566 JBTIAJAFRNJXNA-OAHLLOKOSA-N 287.359 3.504 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCCN(C(C)C)C1 745997884 YQCXYPFWMFOZNM-QGZVFWFLSA-N 296.499 3.974 30 20 CHED CCN(C(=O)CCSc1cccc(Cl)c1)[C@H](C)C#N 598363931 WWHDVFKPYNXDMR-LLVKDONJSA-N 296.823 3.583 30 20 CHED Cc1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)c(Cl)c1 596629622 LUBGZJRMMSNDLM-LBPRGKRZSA-N 291.782 3.806 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(CC(F)(F)F)cc1 743188544 QTNKQIHJFRMVDN-UHFFFAOYSA-N 292.688 3.665 30 20 CHED C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCc2ccc(Cl)cc21 593066725 PNCXYQAJTBMQEC-WWGRRREGSA-N 288.822 3.994 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(C3CC3)c2)C1 847082650 VWYUOELNWGTHCA-MLGOLLRUSA-N 269.344 3.803 30 20 CHED CCCc1ccc(CN2CCC[C@@](C)(C#N)C2)s1 598674236 OBSQHYPYVSWBPU-HNNXBMFYSA-N 262.422 3.826 30 20 CHED C=C[C@H](C)ONC(=O)N(Cc1cccc(Cl)c1)C(C)C 845643541 ZLHKIVMTXRNXOL-LBPRGKRZSA-N 296.798 3.766 30 20 CHED N#CC1(CC(=O)NC[C@@H]2CCCC(F)(F)C2)CCCCC1 597622590 MJUXCJZLXVMJKM-CYBMUJFWSA-N 298.377 3.792 30 20 CHED CCCC[C@@H](CC)C(=O)OCC(=O)c1cccc(C#N)c1 748259414 OBHVASXXLXRBAY-CQSZACIVSA-N 287.359 3.501 30 20 CHED CC[C@H](C/N=C/c1cc(OC)ccc1O)CC(F)(F)F 840710267 IQDXBGYBAWWAOU-NTOSSWPYSA-N 289.297 3.798 30 20 CHED C#CC[C@@H](NC(=O)[C@H](CC)OC1CCCC1)c1ccccc1 758006708 PJOLHNUGDJLWDR-MSOLQXFVSA-N 299.414 3.605 30 20 CHED Cc1ccc(NN=C[C@H](C)CC2CCCCC2)nn1 758112211 SGEKASWLBDQUEK-GFCCVEGCSA-N 260.385 3.789 30 20 CHED Cc1cc(C)c([C@H](C)OC(=O)c2ccc(C#N)[nH]2)c(C)c1 752486704 CFZGJRWCWYPWNR-ZDUSSCGKSA-N 282.343 3.730 30 20 CHED CCCC[C@](C)(F)C(=O)Oc1ccc(C#N)cc1F 857597318 ZSEKLMPALMNEAQ-AWEZNQCLSA-N 267.275 3.521 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccc(N)cc1C 758116136 KLWXVRTYQQVMFE-UHFFFAOYSA-N 287.794 3.744 30 20 CHED Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)s1 851214762 WMDZBSHHZBDNGN-SECBINFHSA-N 251.351 3.542 30 20 CHED CCCCCCCCCCC(=O)N[C@]1(C)CCOC1 756203629 JXCQAQCKWYAMNM-MRXNPFEDSA-N 269.429 3.812 30 20 CHED C#CCOC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 752167843 GDPCVYDDKPRJCK-UHFFFAOYSA-N 279.339 3.519 30 20 CHED C1CCCN([C@H]2CCCCC2=NO[C@@H]2CCCCO2)CC1 755813063 BRCDCFRQZXWBDV-DLBZAZTESA-N 294.439 3.704 30 20 CHED Cc1nn(-c2ccccc2)cc1N[C@H](C)CC(C)(C)C#N 926122023 LBTCMPKYJRGGHV-CYBMUJFWSA-N 282.391 3.921 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1ccccc1O 850487498 HHCGXAPIHSHWSV-KRWDZBQOSA-N 280.371 3.547 30 20 CHED CC(CC1CCOCC1)=NN[C@@H](C)c1ccccc1 757576441 OSXXHEQNQZWPSV-AWEZNQCLSA-N 260.381 3.530 30 20 CHED COCCC(=NNc1ccc(Br)cc1)C(C)C 756826147 VQWSXKNDDADPKC-UHFFFAOYSA-N 299.212 3.910 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)Cc1ccc(C#N)cc1 750405143 ZXOOYWQLDHHFRI-AWEZNQCLSA-N 279.339 3.714 30 20 CHED CCN(CCCCC1(C#N)CCC1)CC(F)(F)F 929626286 LUNSDDHNJOONAR-UHFFFAOYSA-N 262.319 3.735 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N1CCC(C#N)CC1 858920884 OOPWWRWETVRMID-UHFFFAOYSA-N 294.354 3.631 30 20 CHED CC#CCCCC(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 855550430 MGTRUWLSFCFVBV-KRWDZBQOSA-N 285.387 3.579 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1ccc(F)cc1)OCC 756476962 MFNCUBLAYVFYDI-IUODEOHRSA-N 280.339 3.801 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccc(F)c(Cl)c2)c1 750950271 RSMTYCLQLXSHQX-NVMNQCDNSA-N 293.725 3.812 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc2c(cc1O)CCCC2 756731749 BGSAEXJCFJBDQA-NSHDSACASA-N 265.784 3.674 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 934804379 QOIFZOPLUMNEGM-OLZOCXBDSA-N 291.366 3.506 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H]1c1cccc(F)c1 933773769 QSJXBQFWPJYFRB-IUODEOHRSA-N 261.340 3.701 30 20 CHED CC1(C)C(=NNc2cc(C#N)cc(Cl)n2)[C@H]2CCC[C@H]21 853326928 TXHKBPHTUOTSIT-WDEREUQCSA-N 288.782 3.831 30 20 CHED Cc1cccc([C@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 930764440 MXMZAHWTFGFHEF-DNVCBOLYSA-N 294.398 3.593 30 20 CHED C#CCN(Cc1oc(C)nc1C)[C@H]1CCCc2ccccc21 933419649 WNKKSDRNAOLMDI-SFHVURJKSA-N 294.398 3.804 30 20 CHED COc1ccc(NN=C/C=C/c2ccccc2)c([N+](=O)[O-])c1 767803442 PFIMTKVPMMRARX-UKNXVJMESA-N 297.314 3.715 30 20 CHED CCCCCON=Cc1ccc(OC(F)F)c(OC)c1 766743774 QDRDLGKRDRQWOQ-UHFFFAOYSA-N 287.306 3.837 30 20 CHED C[C@H]1CCC[C@H](C=NNc2cnc3ccccc3n2)C1 768363676 BOZSAYDITZLNOR-STQMWFEESA-N 268.364 3.854 30 20 CHED Oc1ccc(Cl)cc1/C=N/[C@@H]1CCC(F)(F)C1 763095075 ACFHRYBHOCAVBJ-JYMRLUDQSA-N 259.683 3.652 30 20 CHED CCC1CCC(=NNc2cc(C#N)cc(Cl)n2)CC1 768381829 NCCMEMZXNHZLGQ-UHFFFAOYSA-N 276.771 3.975 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCCc2c(F)cccc21 866373102 VITUKWGOIRVTQD-OAHLLOKOSA-N 260.356 3.733 30 20 CHED C[C@@H]1CCCC[C@@H]1N1CCC(=NOCC(F)(F)F)CC1 764836107 PTZWNTXCJPGNPQ-YPMHNXCESA-N 292.345 3.596 30 20 CHED C#CCCCN1CCC[C@H]1Cc1ccccc1Cl 766896346 RTSLOMIYKIPELA-HNNXBMFYSA-N 261.796 3.760 30 20 CHED C#C[C@@H](C)N(C)CCCCOc1ccccc1C(F)(F)F 769962088 BCHMJNXSLJOLMD-CYBMUJFWSA-N 299.336 3.818 30 20 CHED CCCCCCCNC(=O)CSCc1c(C)noc1C 862359114 DPLKAWKWPTXGMW-UHFFFAOYSA-N 298.452 3.611 30 20 CHED C[C@@H](C#N)CNN=C1CCC(C2CCCCC2)CC1 766452972 LJGYDIMFWKKYHW-CFMCSPIPSA-N 261.413 3.862 30 20 CHED N#Cc1ccc(CNc2ccc3ncccc3c2)cc1 54107858 JCBXBHPMKAITKK-UHFFFAOYSA-N 259.312 3.719 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1cc(C)c(C)o1 1116913514 BDHQIAHTSNPNEG-UHFFFAOYSA-N 286.379 3.820 30 20 CHED C=C(Cl)CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 860046732 FNHOQQQFRGUSPF-LBPRGKRZSA-N 294.609 3.759 30 20 CHED CCCCCCC[C@@H](C)NCC1(O)CCN(C(C)C)CC1 768517870 PQETUBCWASXBCX-QGZVFWFLSA-N 298.515 3.560 30 20 CHED C=CCN(C(=O)c1cc(F)c(Cl)cc1F)C(C)C 764009698 MPSDUYKHXIZDGX-UHFFFAOYSA-N 273.710 3.655 30 20 CHED Fc1ccc(CNN=Cc2cc(F)cc(Cl)c2)cc1 1116661990 FZJFMARRGGQOCC-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C#CCCCCCCNCC1(c2ccccn2)CCC1 877519715 USEAETLYMTVNOL-UHFFFAOYSA-N 270.420 3.677 30 20 CHED Cc1cc(NN=C2CCc3ccc(Cl)cc32)nc(C)n1 762450547 SCPPLYLOWDHVBU-UHFFFAOYSA-N 286.766 3.509 30 20 CHED CCc1ccc(C=NNc2ccc(C(F)(F)F)cn2)o1 760223639 HXRYGDLUWIFIQC-UHFFFAOYSA-N 283.253 3.702 30 20 CHED C=C(CC)COC(=O)c1ccc(Cn2cccc2)cc1 1116462236 NFVIDPCJRYDQSE-UHFFFAOYSA-N 269.344 3.659 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](C)CCSCC 879103503 CDCOBGXCWNSDBZ-LBPRGKRZSA-N 257.443 3.579 30 20 CHED C#CCCCCCCNC[C@@H](C)c1ncc(C)s1 877340112 GHXYNGHDXQLROF-CYBMUJFWSA-N 264.438 3.728 30 20 CHED CCCCCOc1ccc(OC(=O)c2c[nH]c(C#N)c2)cc1 779194467 ULNWPQZBOPUKTC-UHFFFAOYSA-N 298.342 3.675 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 771018957 WNCHTCWJRSZDTO-VNQPRFMTSA-N 269.344 3.684 30 20 CHED CSCC[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 775391430 BGPRHADBAJDQRQ-WBMJQRKESA-N 274.433 3.667 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(OCC(C)(C)O)cc1 777693079 OKRYKXGSUFZPGR-ZIAGYGMSSA-N 277.408 3.849 30 20 CHED CCC(=NNc1ccc(C)c(Cl)c1)[C@@H]1CCOC1 1116120806 DBGQTYOLXITHBV-LLVKDONJSA-N 266.772 3.863 30 20 CHED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](CC)CC2 773255723 ODMVKKOXJMVHKB-GFCCVEGCSA-N 290.432 3.790 30 20 CHED Cc1c(C(=O)N[C@H]2CC23CCC3)sc2ccc(C#N)cc12 874779105 WZZNWFDAIYXYTH-AWEZNQCLSA-N 296.395 3.754 30 20 CHED C#C[C@H](N[C@@H](C)c1ccc(-c2ccccc2)o1)[C@@H]1CCCO1 775573412 YHPKLRSQASTTOH-QOKNQOGYSA-N 295.382 3.778 30 20 CHED CCC(=NOC1CCCC1)c1ccc(OC)c(OC)c1 774596595 GWFCFDGQJFKNSE-UHFFFAOYSA-N 277.364 3.777 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cnc(C2CC2)s1 779989600 XZBXXPNSKPFNAE-NSHDSACASA-N 299.399 3.923 30 20 CHED C#CCCCCCC(=O)Nc1cc(C)nn1CCCCC 779973248 RLBZSIADFDMWNA-UHFFFAOYSA-N 289.423 3.904 30 20 CHED N#Cc1c(F)cccc1C(=O)O[C@H]1CCc2ccc(F)cc21 777710670 UDIFHVVVRPBXKH-INIZCTEOSA-N 299.276 3.681 30 20 CHED C#CCCCCCC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 779918760 XTQKLLBUILUJOK-LSDHHAIUSA-N 263.425 3.996 30 20 CHED C/C=C(/C=C/C(=O)O[C@H](C#N)C1CCCCC1)CC 776395482 KUTPYQZIBNOOQL-ZOEIRVHRSA-N 261.365 3.915 30 20 CHED C#CCCCCCC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 779759864 JEFZBKZBGZLABS-LJQANCHMSA-N 299.414 3.846 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(C(C)=O)cc1C 786622451 CCFWYZOUMUIFOI-MRXNPFEDSA-N 260.333 3.705 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1)c1cncs1 787173011 VQEXIHIWZJQODU-HSFFGMMNSA-N 259.305 3.735 30 20 CHED CO[C@@H](C(C)=NNC1CCCCC1)c1ccccc1 782283881 XTVRYPIGLXWZJC-INIZCTEOSA-N 260.381 3.672 30 20 CHED C=CCCCCCOC(=O)[C@@H](C)c1c(C)noc1C 783341689 QTFXFPCBRMEIAA-NSHDSACASA-N 265.353 3.685 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)C[C@H](OC)C2 784216434 RTGITNHQLYQFGT-QGZVFWFLSA-N 285.387 3.507 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C\c1ccccc1F 787945866 XWSYUNSOSJCSFZ-KHPPLWFESA-N 288.366 3.770 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 780022766 GXZTZPLMORQKAI-IWMPZKFUSA-N 276.767 3.767 30 20 CHED COc1ccc2cc(C(C)=NOC[C@H]3CCOC3)ccc2c1 788037881 ZSJHJEVFZKRTMD-AWEZNQCLSA-N 299.370 3.626 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1cc(C(=O)O)cs1 782200919 OTYZSCBXJIFXRB-HWKANZROSA-N 290.315 3.790 30 20 CHED C=C(C)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 786324278 FZORICGLRUAZCX-RKDXNWHRSA-N 256.754 3.624 30 20 CHED CC(=NNCCc1ccccn1)c1ccc2c(c1)CCCC2 789097679 SCAWWWGGJYLVAO-UHFFFAOYSA-N 293.414 3.517 30 20 CHED COc1cc(NN=C(C)C2CCC2)ccc1Cl 788472201 PYMBPBHIAHMXMZ-UHFFFAOYSA-N 252.745 3.937 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(C)s1 785539983 WDWHYPQPMWJKOQ-SMDDNHRTSA-N 251.395 3.836 30 20 CHED CC(C)[C@H](F)C(=O)N1CCCSC1=Nc1ccccc1 784017874 SPTSZAVMQKXRJE-ZDUSSCGKSA-N 294.395 3.634 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccc2c(c1)OCO2 782301464 MCTUXYWVYVWNHO-GQCTYLIASA-N 299.351 3.645 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(C#N)cc1F 793175490 WHTHYRVCXKDERA-UHFFFAOYSA-N 288.713 3.582 30 20 CHED C=C1CC(c2noc([C@@H]3CC(c4cccc(F)c4)=NO3)n2)C1 896883692 HDPOLZPZNUPYBD-AWEZNQCLSA-N 299.305 3.508 30 20 CHED Cc1cc(CN(C)Cc2ccc(C#N)cc2)cc(Cl)n1 797589403 MTABMYPPIKCJDH-UHFFFAOYSA-N 285.778 3.547 30 20 CHED CCCCCCCC(=O)Nc1cnc(C(C)C)nc1 794417166 YWPDOPACLHZKTC-UHFFFAOYSA-N 263.385 3.899 30 20 CHED CCC(CC)NN=C[C@@H](CNC(=O)OC(C)(C)C)C(C)C 794514363 IIRGTCMDIWMMFY-CYBMUJFWSA-N 299.459 3.547 30 20 CHED C#C[C@@H](CCC)NC(=O)NCc1cccc(Cl)c1Cl 791023415 WYZJHALTHGNJFI-NSHDSACASA-N 299.201 3.595 30 20 CHED CC(C)[C@H](C)[S@](=O)CCCCC1(C#N)CCC1 899281071 WFISXWMDLJJOMQ-SUMWQHHRSA-N 255.427 3.644 30 20 CHED Cc1ccc(C)c(C(=O)Nc2cc(F)cc(C#N)c2)c1 720268649 QTIDAYJKJFBYCG-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@@H](C)c1ccc(CC)cc1 791200754 ACCHAIHVICTPGY-PBHICJAKSA-N 271.404 3.661 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC(c2ccccc2C)CC1 791059814 VAJVRKVIJUNLQI-QGZVFWFLSA-N 298.430 3.686 30 20 CHED CC(C[C@@H]1CCOC1)=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 794541101 HZQRLESMFOFBNO-KLZNWCGWSA-N 278.440 3.593 30 20 CHED C#CC[C@H](NC(=O)N(CC)CC1CCC1)c1ccccc1 793125836 BUMNVKKPHXZRAC-KRWDZBQOSA-N 284.403 3.583 30 20 CHED COc1ccc(C=NNCCC(F)(F)F)c2ccccc12 794551842 UIGMORYRHIPCLP-UHFFFAOYSA-N 296.292 3.724 30 20 CHED CC(C)c1c(Cl)ncnc1NN=CC(C)(C)CCC#N 797405488 XTQHDZLAFGLJAW-UHFFFAOYSA-N 293.802 3.981 30 20 CHED CCc1cccc(C)c1NN=Cc1c(C)nn(CC)c1C 799494566 JRZJMSMCAVXKCK-UHFFFAOYSA-N 284.407 3.837 30 20 CHED Cc1oc2ccccc2c1C=NNCCC(F)(F)F 794552609 PJXFVYGPUPPKOV-UHFFFAOYSA-N 270.254 3.617 30 20 CHED CC(=NNc1nccn1C)c1ccc(C(C)(C)C)cc1 790300709 ZJHMCAIEYVSGBR-UHFFFAOYSA-N 270.380 3.554 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1 596690197 UCUPGCQTISGHPP-JTQLQIEISA-N 295.745 3.637 30 20 CHED Cc1cccnc1NN=Cc1ccc(CSC(F)F)o1 790191808 YLPMIXJODZTTAY-UHFFFAOYSA-N 297.330 3.885 30 20 CHED CSCCON=C(C)c1ccc(N2CCCCC2)cc1 794573838 MPGPRMTYJOHFFN-UHFFFAOYSA-N 292.448 3.781 30 20 CHED Cc1cc(CN2CCCC(C)(C)[C@H]2C#N)cc(Cl)n1 797605781 UZFAHARQVDFFHF-CYBMUJFWSA-N 277.799 3.558 30 20 CHED CC[C@@H]1CCCN(C(=O)c2ccc(C)c(C#N)c2)CC1 799338143 GVTURHRARJBOPU-CQSZACIVSA-N 270.376 3.519 30 20 CHED CC[C@](C)(C#N)C(=O)OC[C@@H](OC(C)C)c1ccccc1 795598203 HAEIFFHSBUUOSU-NVXWUHKLSA-N 289.375 3.636 30 20 CHED CC(C)=CCCNC(=S)Nc1ccc(C#N)c(Cl)c1 790329745 KCCSISCUYHEJBV-UHFFFAOYSA-N 293.823 3.854 30 20 CHED Clc1cc(Cl)cc(NN=Cc2ccncc2)c1 790202098 OQODOTJMAQICDR-UHFFFAOYSA-N 266.131 3.834 30 20 CHED CCCOc1cc(C)ccc1NC(=O)[C@@](C)(C#N)CC 567019425 GODPTLXDRGGKNX-MRXNPFEDSA-N 274.364 3.662 30 20 CHED CC(=NNc1cccnn1)[C@H](C)c1ccc(Cl)cc1 794513987 FMVCWFIZDRSPEU-JTQLQIEISA-N 274.755 3.722 30 20 CHED Cc1ccc(C=NNCc2c(Cl)cccc2Cl)cn1 793114793 NNEPACSCTLSSNN-UHFFFAOYSA-N 294.185 3.821 30 20 CHED CCCc1nc(C)c(C(=O)OCCCCC(C)(C)C#N)o1 796560810 AGMRUVRYAVVQGW-UHFFFAOYSA-N 292.379 3.812 30 20 CHED CC[C@H](C)NN=C(CC1CCCCC1)c1ncccn1 790183210 PUZTXHMYEIJEDJ-ZDUSSCGKSA-N 274.412 3.539 30 20 CHED CC[C@@H](C)NN=C(C)c1sccc1Br 790183366 QWGIJDKQEIGLSL-SSDOTTSWSA-N 275.215 3.623 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)NCC1(CC#N)CC1 575047521 ULYVCMJUCVDEMT-AWEZNQCLSA-N 262.397 3.569 30 20 CHED C[C@@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)CS1 94472808 WHARJHPLDMDCBS-TZMCWYRMSA-N 276.405 3.675 30 20 CHED C[C@@H](CC(C)(C)C)Nc1ncc(C#N)cc1Cl 1612459118 NYHXPGDCNFYBJI-VIFPVBQESA-N 251.761 3.843 30 20 CHED C=C[C@@H](COC)NC1CCC2(CCCCC2)CC1 1320609519 YGNDEXZBONKVQY-AWEZNQCLSA-N 251.414 3.670 30 20 CHED O=C(CC#Cc1ccccc1)N(CC1CC1)c1ccccc1 1322563971 HCZONDCXTNELHD-UHFFFAOYSA-N 289.378 3.871 30 20 CHED Fc1ccc(CNN=C/C=C/c2ccc(F)c(F)c2)cc1 1322039775 KDWWHZHFXPMCKO-XJGNLEOYSA-N 290.288 3.893 30 20 CHED C[C@H](NC(=O)Nc1sccc1C#N)C1CCCCC1 1186371179 TXOODCJSSZIKCB-JTQLQIEISA-N 277.393 3.710 30 20 CHED C=CC[C@@H](C)C(C)=NNc1cncc(Br)c1 1323040537 XNGVXWRZFRFONX-SECBINFHSA-N 282.185 3.844 30 20 CHED C[C@@H](Cc1ccc(F)cc1)Nc1ccc(CC#N)cc1 133739649 NPAANJJPMFYKGT-ZDUSSCGKSA-N 268.335 3.935 30 20 CHED C[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)C1CCCCC1 1186343693 XCEWTYKOHPBECG-LLVKDONJSA-N 289.354 3.788 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1336217229 LDRPNGIRKOHMCX-LAVFITLUSA-N 281.399 3.530 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCC(=O)c1cccs1 1336238660 RNKVANZZKQIXTI-ZDUSSCGKSA-N 291.416 3.668 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C#N)C1CCCC1 1331541787 XVDFZAMTUDSBKS-YOEHRIQHSA-N 284.403 3.687 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)CC#Cc1ccccc1 1337655507 XRFFMYAQSRDRTE-UHFFFAOYSA-N 297.785 3.706 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)c1ccc(F)cc1F 1192825128 XNGYWWXKMCZQCB-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C=CCC(C)(C)c1noc(-c2ncc(Cl)s2)n1 1347678339 JTWKXQQZHHQUOO-UHFFFAOYSA-N 269.757 3.700 30 20 CHED C=C(CC)C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 1348506950 QMQLPELUDPUGKA-WFASDCNBSA-N 273.376 3.860 30 20 CHED C=CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1353215489 PEFIRGXTQYNSTA-UHFFFAOYSA-N 280.352 3.834 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@H]1CCC[C@@H](C)C1 1350357777 KLUFPNHVLADJTD-RISCZKNCSA-N 257.333 3.602 30 20 CHED CC(F)(F)C1(C(=O)OCc2ccc(Cl)cc2C#N)CC1 1350130951 SNROOSYZSDINEB-UHFFFAOYSA-N 299.704 3.690 30 20 CHED CC(C)CN(C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1 1353222013 WXBJKFQUHRTBRV-ZWKOTPCHSA-N 296.414 3.983 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC(C)(C)C#N 1440553869 DZKGEJSNOISVRK-UHFFFAOYSA-N 298.308 3.604 30 20 CHED N#CC[C@H](OC(=O)c1ccc2c(c1)CCC2)c1ccco1 1518002584 VLNCSVWJGDADDX-INIZCTEOSA-N 281.311 3.580 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)O[C@H]1CCC[C@H](C#N)C1 1528490944 UWWLCVLCOVKNLC-MELADBBJSA-N 263.381 3.828 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2(c3ccccc3F)CC2)c1 1462171731 VDJLWUKEJOLYLN-UHFFFAOYSA-N 298.292 3.507 30 20 CHED C[C@@H]1CCCC[C@@H]1NC1CCN(c2ccccc2C#N)CC1 1462483720 JNUJJABVSUMOMR-QAPCUYQASA-N 297.446 3.695 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1F 1535455278 JQZPZCJXENDCJG-STQMWFEESA-N 274.339 3.852 30 20 CHED CC1CC(C#N)(C(=O)N(C)C2CC(C)(C)CC(C)(C)C2)C1 1469942962 LCRHMDOOWFGXAH-UHFFFAOYSA-N 290.451 3.990 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2nc(C#N)c(Cl)s2)C1 1612011122 XTZPPSDSDVGFKU-BRPSZJMVSA-N 269.801 3.905 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(CC)CC(C)C 1705752940 LMIGFZXXPDXBGF-UHFFFAOYSA-N 296.846 3.780 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(-c2ccccc2OC)c1 1543085999 BBYKKFPCKMZGFH-CYBMUJFWSA-N 294.354 3.850 30 20 CHED CCc1nc(C#N)cc(N(C)[C@H]2CCC[C@H]2C(C)(C)C)n1 1612505335 UNBABUKEAVGKAU-KGLIPLIRSA-N 286.423 3.562 30 20 CHED Cc1ccccc1N(C)C(=O)CSc1ccc(C#N)cc1 1618486640 WHWJSGYENDHVCF-UHFFFAOYSA-N 296.395 3.622 30 20 CHED C=C(CNCc1cc(F)ccc1N(C)C)c1ccccc1 1473982589 VSTHWYYRGRRFCF-UHFFFAOYSA-N 284.378 3.695 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1 852410682 PIHVNWQOOLYANX-GFCCVEGCSA-N 250.773 3.523 30 20 CHED CS[C@H]1CCC[C@H](Nc2nc3c(cc2C#N)CCC3)C1 227358360 XBJJXIPBUSZKCY-KBPBESRZSA-N 287.432 3.528 30 20 CHED CC(=O)c1cc(CSc2ccc(C#N)cc2Cl)on1 1643785468 QKJQYPGODKPOBD-UHFFFAOYSA-N 292.747 3.695 30 20 CHED N#Cc1ccc(CNc2cnc3cc(Cl)ccc3n2)cc1 1642282017 IGBIQQXDJDRWSL-UHFFFAOYSA-N 294.745 3.767 30 20 CHED Cc1nsc(S[C@@H]2CCc3ccccc3C2)c1C#N 1655662438 TVFVOJVKRGJOCN-CYBMUJFWSA-N 286.425 3.973 30 20 CHED CSCCCCCCNc1nc2c(cc1C#N)CCC2 230097220 JITUWYQYXAOLPG-UHFFFAOYSA-N 289.448 3.777 30 20 CHED Cc1ccc2ncc(C#N)c(OCC3CC(C)C3)c2c1 1652856188 PUCAEUGUYCOZSG-UHFFFAOYSA-N 266.344 3.840 30 20 CHED Cc1cccc(-c2cccc(CN=c3cc[nH]cc3C#N)c2)c1 1651473105 QVGVGUBDTWGKSN-UHFFFAOYSA-N 299.377 3.963 30 20 CHED C[C@H](CCO)Nc1ccc(Oc2ccccc2)c(C#N)c1 1652270734 SEBOGCNRSPIIGG-CYBMUJFWSA-N 282.343 3.533 30 20 CHED Cc1cccc(CN(C)CCc2ccc(C#N)cc2)c1C 1653700074 GVODMAOOYLJBSX-UHFFFAOYSA-N 278.399 3.850 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)cc1 1597786717 IKMVZVLJYCPYST-GOSISDBHSA-N 292.382 3.555 30 20 CHED CCO[C@@H]1CCC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 1662681477 OCCBKDCXBBODHP-YQVWRLOYSA-N 298.430 3.873 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1sccc1C 1776087162 LJZBNXLMQPSTHH-UHFFFAOYSA-N 288.372 3.899 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@H]2CC[C@@H](C)C2)CC1 1776168309 SWKPCWLOFLELBH-CABCVRRESA-N 279.424 3.556 30 20 CHED C[C@H]1CC[C@H](C)C(=NNc2ccc(F)c(C(=O)O)c2)C1 1776063566 XHDXBUOMSJXROY-UWVGGRQHSA-N 278.327 3.748 30 20 CHED Cc1ccc(C#N)c(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1 161457077 IFHOYRFJFZKCLX-YOEHRIQHSA-N 277.371 3.644 30 20 CHED Oc1ccccc1/C=N\CCc1c[nH]c2ccccc12 169517802 DODLZXFDTNUAMY-WQRHYEAKSA-N 264.328 3.535 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCC1 158347550 YANZXYOZWNTJKZ-UHFFFAOYSA-N 299.292 3.506 30 20 CHED N#Cc1ccc(Cl)cc1N[C@@H]1CCO[C@@H](C2CC2)C1 160350084 OGKRTDVPASYXIS-UKRRQHHQSA-N 276.767 3.581 30 20 CHED Cc1nc(N[C@H](CCC#N)c2ccccc2)ccc1[N+](=O)[O-] 164310174 FFLKNZQTESTDTR-CQSZACIVSA-N 296.330 3.755 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(CC#N)cc2)C1 104725105 YJASRLNFIYKXCA-QFBILLFUSA-N 296.414 3.793 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc(C)c(F)c2)n1 248111981 RBSATWCIUNKSOU-UHFFFAOYSA-N 269.323 3.630 30 20 CHED CC(C)(CNCc1ccc(C#N)s1)c1ccccc1 135678688 CDGMICUIPLLTFQ-UHFFFAOYSA-N 270.401 3.687 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc2c(s1)CCCCC2 42296713 WOIVGBLLYYLTIE-LBPRGKRZSA-N 290.432 3.639 30 20 CHED C=CCCC[C@H](C)Nc1nnc(C(F)(F)F)s1 156922820 KHIBQJCJURFJTJ-ZETCQYMHSA-N 265.304 3.714 30 20 CHED CN(CC#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 158239260 XGKSUJQVYMDUOJ-UHFFFAOYSA-N 296.214 3.680 30 20 CHED C[C@H](N[C@H](C)c1cccc(O)c1)c1cccc(C#N)c1 37319316 BARYYDRUGUWIAE-QWHCGFSZSA-N 266.344 3.676 30 20 CHED COc1ccccc1OCc1ccc(C#N)cc1Cl 162969072 NGEWSIFUFVLBQQ-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CCCN(CCCSCC#N)Cc1ccccc1 173856963 SYPHPUBVCNQRBM-UHFFFAOYSA-N 262.422 3.545 30 20 CHED N#Cc1ccc(COc2ccc3ncccc3c2)cc1 49392106 BMDNCTMAWXKVTD-UHFFFAOYSA-N 260.296 3.685 30 20 CHED CC1(C)CCCN(C(=O)c2sccc2Cl)[C@@H]1C#N 287054201 LTRPLRHFNZTTAZ-SNVBAGLBSA-N 282.796 3.556 30 20 CHED N#Cc1cccc(CNc2cc(F)c(F)c(F)c2)c1 61095810 GYXMGPDVWXQCNB-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1ccc(NC[C@@H]2CC2(Cl)Cl)c(Cl)c1 309549325 FHLGXRVYAKJCDX-QMMMGPOBSA-N 275.566 3.817 30 20 CHED C=CCC1(NC[C@@H](O)c2ccc(Cl)cc2)CCCC1 690798913 LUVPFMRPTJLUGV-OAHLLOKOSA-N 279.811 3.852 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2cc(F)cc(C#N)c2)c1 720281033 BOQDXAPHOHAWFM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cccc(Cl)c2F)c1 720293080 KNCKWZUEQIHSAV-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCN(CC=C)C(=O)c1csc(-c2cccs2)n1 52930551 ZJHXGLPVTNIVNY-UHFFFAOYSA-N 290.413 3.686 30 20 CHED COCC[C@H](C)CNc1ccc(C(F)(F)F)cc1C#N 413498886 XZIUQJCXCDPIMP-JTQLQIEISA-N 286.297 3.662 30 20 CHED Cc1cc(N2CCC[C@@H]2c2ccsc2)cc(C#N)n1 341533799 NJTHTSUCDPPZBK-OAHLLOKOSA-N 269.373 3.665 30 20 CHED C=CCOc1ccccc1CNCc1cc(C)oc1C 114505012 UAANMPREMGPJKG-UHFFFAOYSA-N 271.360 3.751 30 20 CHED C[C@H](NC(=O)N1CCC(C#N)CC1)[C@H](C)C1CCCCC1 175443000 AFDKQFQYHNNJAP-KBPBESRZSA-N 291.439 3.536 30 20 CHED Cc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c(C)o1 175775032 UUNBCUWZCDVDBH-NSHDSACASA-N 269.300 3.686 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1cccc([N+](=O)[O-])c1 171349360 SLALXMVTEOSMOW-VOTSOKGWSA-N 288.690 3.539 30 20 CHED C=CCN(C(=O)c1ccc(SC)o1)c1ccccc1 112233083 LJFDRYJQPYPBOJ-UHFFFAOYSA-N 273.357 3.834 30 20 CHED N#Cc1cnc2c(F)ccc(Cl)c2c1NCC(F)F 173988283 QLJYQGSORCJSRJ-UHFFFAOYSA-N 285.656 3.576 30 20 CHED CC(C)Cc1noc(CCCCOc2cccc(C#N)c2)n1 113717544 JAFNZNUJDGJWJR-UHFFFAOYSA-N 299.374 3.541 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C1(C#N)CCCCC1 175759393 PPDSUUVHCBPCQX-NVXWUHKLSA-N 296.414 3.865 30 20 CHED C=C[C@H](CC(=O)N(C)C[C@@H](C)CC)c1ccccc1 179387805 MRZMRDGLRRGEOS-LSDHHAIUSA-N 259.393 3.851 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 69203008 UKOWUUARXWDEOK-UHFFFAOYSA-N 293.326 3.658 30 20 CHED C[C@@H](CCC(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1347122971 IQMPCMQLSKIDIO-DZGCQCFKSA-N 296.345 3.981 30 20 CHED Cc1ccc2oc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)cc2c1 116808747 PPYVPWUXZFXMBN-SCLBCKFNSA-N 296.370 3.944 30 20 CHED C=CCSCCNC(=O)C[C@@H](C)c1ccccc1C 116182935 JORGTJCTZKINOZ-CQSZACIVSA-N 277.433 3.524 30 20 CHED C#CCCCN[C@H](CC)c1ccc(OC(F)F)cc1 178060532 JIXDAYILUUVOOQ-CQSZACIVSA-N 267.319 3.742 30 20 CHED C=CCC[C@H](NCc1ccc(-n2ccnc2)c(F)c1)C1CC1 120490811 GLWZOYJXODHYSB-KRWDZBQOSA-N 299.393 3.846 30 20 CHED C=CCN(C(=O)c1c(Cl)cc(F)cc1Cl)C1CC1 433001644 SZSJHFOKPOIDSM-UHFFFAOYSA-N 288.149 3.923 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1cccc(O)c1)C2=O 63411859 VJXFSRBWROTMOW-ZSOIEALJSA-N 280.323 3.668 30 20 CHED C#Cc1cccc(NC(=O)N2CCC(C(C)C)CC2)c1 174786768 XJVUGSZLMFRHNQ-UHFFFAOYSA-N 270.376 3.568 30 20 CHED Cc1cc(Cl)cc(C(=O)[C@@H](C#N)c2ccccn2)c1 121505765 CGYAPMTXOMTOCQ-ZDUSSCGKSA-N 270.719 3.534 30 20 CHED C#CCCCCC(=O)Nc1scnc1-c1ccccc1 120090724 XUXYMXDQHMURFT-UHFFFAOYSA-N 284.384 3.942 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1 65984868 JXIFNFQKUJBAEB-UHFFFAOYSA-N 294.398 3.627 30 20 CHED C[C@H](O)CCCOc1ccc(-c2ccc(C#N)cc2)cc1 402233276 DLNVXKNJIXPSMH-AWEZNQCLSA-N 281.355 3.765 30 20 CHED CCC(CC)CN1CCC(Oc2cccc(C#N)c2)CC1 409446730 XGPGVPUAQUJQJS-UHFFFAOYSA-N 286.419 3.838 30 20 CHED CCc1ccccc1CNc1ccc(Cl)c(C#N)n1 301328983 CRVDLQPGGOLILL-UHFFFAOYSA-N 271.751 3.781 30 20 CHED C=CCC[C@@H](C)OC(=O)Cc1c[nH]c2cccc(OC)c12 181898322 YFCPYNXKPSUSMV-GFCCVEGCSA-N 287.359 3.617 30 20 CHED CCCCOc1cccc(Nc2ncccc2C#N)c1 301550819 QTYVMZRQRYBMFX-UHFFFAOYSA-N 267.332 3.876 30 20 CHED N#Cc1cccc(NCc2ncc(-c3cccs3)o2)c1 72910948 ZYAMWMABSKYSSV-UHFFFAOYSA-N 281.340 3.887 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1ccc(F)c(F)c1 186168242 AVGQKXAVVFDFCA-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=CCN(CC=C)C(=O)CSc1ccc2ccccc2n1 78421123 ZZAGFMDNXMGYIP-UHFFFAOYSA-N 298.411 3.528 30 20 CHED N#CCSCCCSc1ccnc2ccccc12 75076550 LSORMLSNWQTKQA-UHFFFAOYSA-N 274.414 3.974 30 20 CHED CC(C)CCOc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 182261554 TWLFJPXWROWPFR-UHFFFAOYSA-N 297.358 3.564 30 20 CHED Cc1cccc(CCC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 75275173 VSUADZBLTFRZRC-HNNXBMFYSA-N 292.382 3.677 30 20 CHED N#CCc1cccc(NCc2ccc3ncccc3c2)c1 313442281 WJFYMARKJHQUHM-UHFFFAOYSA-N 273.339 3.913 30 20 CHED COc1cccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 37508463 YRAZXQKZQBSNBK-KGLIPLIRSA-N 280.371 3.979 30 20 CHED C=CCN(C)Cc1c(-c2ccccc2)nc2ccccn12 121388757 UYFPBQVTUDMQDY-UHFFFAOYSA-N 277.371 3.619 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)c1ccccn1)c1ccccc1 187466150 OKFLBISIEGLVCQ-HOCLYGCPSA-N 280.371 3.619 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ccccc1C 182583376 BXXFBALREJZDPR-HNNXBMFYSA-N 259.393 3.789 30 20 CHED Cc1nc2cc(Nc3cccc(F)c3C#N)ccc2n1C 78674712 LDYAAEHZOMVMGX-UHFFFAOYSA-N 280.306 3.636 30 20 CHED CCC1(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CC1 505913654 VOALFZHPCFRJRW-LBPRGKRZSA-N 296.292 3.576 30 20 CHED CCCN(Cc1ccc(F)cc1)[C@@H]1CC[C@H](C#N)C1 411198210 DZBNYNLEFDUULB-GOEBONIOSA-N 260.356 3.730 30 20 CHED C=CCC[C@@H](NCC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccco1 414161561 FQKUZVGVBDXAIL-KLHDSHLOSA-N 275.392 3.834 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc(F)c(Cl)cc1Cl 522236458 KTVFGFSEYMGTFL-ZETCQYMHSA-N 289.137 3.555 30 20 CHED Cc1ccc(C(=O)NCC2(CC#N)CC2)c2ccccc12 412315484 USIMPEYGCMWGQN-UHFFFAOYSA-N 278.355 3.572 30 20 CHED CCN(Cc1ccc(F)cc1C#N)c1ccccc1 489600481 XXMFKBNBCMYJEG-UHFFFAOYSA-N 254.308 3.724 30 20 CHED Cc1c(C(=O)N[C@H]2CC[C@H](C)C2)sc2ccc(C#N)cc12 504247673 VKFZKOMOHNSRDU-GWCFXTLKSA-N 298.411 4.000 30 20 CHED CCN(Cc1occc1C)C(=O)Nc1cccc(CC#N)c1 417217447 ZKZSFPPNOXTVIY-UHFFFAOYSA-N 297.358 3.708 30 20 CHED C=CCC[C@H](NC[C@H]1CCC=CO1)c1ccccc1 188575781 AYEWVIBZKMWFFY-SJORKVTESA-N 257.377 3.976 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OC2CCC2)cc1 79512723 HBWYKYRRICLIRE-UHFFFAOYSA-N 273.376 3.656 30 20 CHED COc1cc(C(=O)/C=C\c2sccc2C)ccc1O 33523071 GAURCIJUZKEOGK-WAYWQWQTSA-N 274.341 3.667 30 20 CHED C=C(C)[C@H](NC/C=C/Cl)c1ccc(F)c(F)c1 187764442 WPLNFSYIFNSTSK-YIALFULDSA-N 257.711 3.924 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@@H](C)C[C@@H]2CC)c1 72940102 CEDIRYXDMITHPO-ZFWWWQNUSA-N 288.391 3.904 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCc1ccc(Cl)c(Cl)c1 78420516 JHWKHCHFFSKLKI-SNVBAGLBSA-N 299.201 3.687 30 20 CHED CC(C)=CCC[C@@H](C)NCc1ccc(OCC#N)cc1 180555418 OLIHZQGWKVLHRM-OAHLLOKOSA-N 272.392 3.813 30 20 CHED C=CCOc1ccc(CN2CCO[C@H](CC)C2)cc1Cl 506367006 BZXFKOUVZFURIF-CQSZACIVSA-N 295.810 3.516 30 20 CHED CCCSC/C(O)=N/c1nc(-c2ccc(C)cc2)n[nH]1 76383500 FFNLZKRDQZZZTA-UHFFFAOYSA-N 290.392 3.511 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccccc1C#N 72692874 ICILCMSSQCXDMG-UHFFFAOYSA-N 269.392 3.710 30 20 CHED CC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 47053115 VLAZTLICCWBMTI-XJKSGUPXSA-N 285.391 3.593 30 20 CHED C[C@H](C#N)Sc1nnc(-c2ccc3ccccc3c2)o1 42181007 NRJHEJVUVBEQFQ-SNVBAGLBSA-N 281.340 3.894 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C/c1scnc1C 186115031 PUJGCCAUQJWMDX-MDZDMXLPSA-N 298.411 3.680 30 20 CHED CC(=O)Nc1cc(NCCCC(C)(C)C#N)ccc1F 133658697 DTNXPWVIAZFFJN-UHFFFAOYSA-N 277.343 3.526 30 20 CHED Cc1cnc([C@H](C)Nc2ccc(C#N)cc2F)s1 134930740 NWZFNMVOOMJHQU-VIFPVBQESA-N 261.325 3.635 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1Nc1ncc(C#N)cc1F 413213014 JJTMFASIVMJAFV-BDJLRTHQSA-N 281.334 3.828 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(OC(F)F)c(OC)c1 509009074 WWHRHILNLWYRAV-LLVKDONJSA-N 285.334 3.913 30 20 CHED C[C@H](/N=C(/O)[C@@H]1C[C@]12CCOC2)c1cc2ccccc2o1 329640654 ZXTDKHYRIOTYGW-BNLOLNQZSA-N 285.343 3.877 30 20 CHED CC[C@H](C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 41336427 KGEPDSUTLZHIKH-INIZCTEOSA-N 282.318 3.830 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1CC[C@H](CC2CC2)C1 413298393 MQXBANSBJDHUPI-LLVKDONJSA-N 295.308 3.598 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1cccc([N+](=O)[O-])c1 414173719 XGNYOUKXYKZXFA-CQSZACIVSA-N 275.352 3.575 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(OCCC(C)C)CC1 134955095 KZXKHYUCVYIRPM-KRWDZBQOSA-N 281.440 3.642 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@@](C)(CC)C1 509009344 ASVVGSKZYAKQQB-CZUORRHYSA-N 276.428 3.604 30 20 CHED C=CCC[C@H](CCC)NC[C@]1(C)C[C@H]2CC[C@H]1O2 424284670 CYAUDQRXRCKEQZ-JJXSEGSLSA-N 251.414 3.669 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1N=C(O)C[C@H]1CCOC1 329850481 QGOVVUZSKBXQAS-CQSZACIVSA-N 299.374 3.504 30 20 CHED CC(C)(C)OCCCOc1cc(Cl)ccc1C#N 610769450 SBGMFJQYXXOSMU-UHFFFAOYSA-N 267.756 3.796 30 20 CHED C=CCCCN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 192037960 KRBLEHKEENMQEV-GJZGRUSLSA-N 265.784 3.726 30 20 CHED N#Cc1cc(NCc2ncc[nH]2)ccc1Oc1ccccc1 428403841 LFAGNCGSLCYILZ-UHFFFAOYSA-N 290.326 3.686 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@H](C)c2ccccc2)n1 41521810 QQSCGQRJELOZJV-SMDDNHRTSA-N 284.384 3.822 30 20 CHED C=CCC[C@H](NC1CCN(C(C)(C)C)CC1)C1CC1 89512945 YEZXYKNGFJEEPQ-INIZCTEOSA-N 264.457 3.584 30 20 CHED C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccc(F)cc1 514182479 MEFBRHCKSZZLCW-LLVKDONJSA-N 299.305 3.821 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(-c3ncco3)cc2)CC1 132571630 NSFJLXFOHCRRGH-UHFFFAOYSA-N 297.358 3.772 30 20 CHED C=C(CNC(=O)N1CCc2cccc(F)c21)c1ccccc1 512673002 NWYHEBYMOZFAFF-UHFFFAOYSA-N 296.345 3.611 30 20 CHED Cc1ncccc1CN1CC=C(c2ccc(C#N)cc2)CC1 335947630 LLUDIJHOGUUDIS-UHFFFAOYSA-N 289.382 3.551 30 20 CHED Cc1cc(C(=O)Cn2ccc(C#N)c2)c(C)n1CCC(C)C 339193661 DFFHYHGBJVGQRI-UHFFFAOYSA-N 297.402 3.707 30 20 CHED N#CCCCCN1CC2(CCC2)c2c(F)cccc21 338728912 KSTMBYQQGMBKCA-UHFFFAOYSA-N 258.340 3.761 30 20 CHED Cc1ccc2sc(C(=O)NC3(C#N)CCC3)c(C)c2c1 335892393 DOBHVWMQAFXBPR-UHFFFAOYSA-N 284.384 3.694 30 20 CHED N#Cc1c(F)cccc1CNc1cc(F)c(F)cc1F 427401326 ZRLZFULLUSNNIP-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C=CCN(C(=O)c1ccnn1C1CCCC1)c1ccccc1 428156768 WQYRKFRIMPYAJM-UHFFFAOYSA-N 295.386 3.831 30 20 CHED C[C@@H](c1cccc(Cl)c1F)N1CCC(F)(C#N)CC1 510886129 BUKIXAISYHXEER-JTQLQIEISA-N 284.737 3.868 30 20 CHED C=C1CCN(C(=O)[C@H](C)CSc2ccc(F)cc2)CC1 425934746 AFWIIDFKRKQLRY-CYBMUJFWSA-N 293.407 3.733 30 20 CHED N#Cc1sc(NCCSc2ccccc2)nc1Cl 236076397 MJIZEPHCRKZODH-UHFFFAOYSA-N 295.820 3.872 30 20 CHED C=CCN(CCC#N)Cc1cccc2ccccc12 428860040 FDFZBOFQUWZPIR-UHFFFAOYSA-N 250.345 3.741 30 20 CHED CN(C(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CC1(C)C 334729284 MRJNRNWADUJQQD-CYBMUJFWSA-N 291.782 3.668 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(F)c1Cl 334365288 HNFNBZNMGLNJJP-UHFFFAOYSA-N 256.708 3.519 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Cl)c2ncccc12 337898006 NJRBIXPRAUHHFO-UHFFFAOYSA-N 288.778 3.926 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)Cc1ccoc1C 337898950 HADUVOCKXVSLTN-LBPRGKRZSA-N 288.395 3.515 30 20 CHED C[C@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2Cl)CC1 332318274 OIZFMCHTEHCMNT-AAEUAGOBSA-N 290.794 3.910 30 20 CHED O=C(/C=C/c1ccn(-c2ccccc2)n1)c1ccccc1 90987787 OZLRDWHVKUHYLP-VAWYXSNFSA-N 274.323 3.768 30 20 CHED CSC1(CNCC(C)(C)CCC#N)CCCCC1 235099415 BFXNOHXICWDNTJ-UHFFFAOYSA-N 268.470 3.972 30 20 CHED C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C[C@@H](C)C1 332346720 ORVBUJNBLDPBQS-QLFBSQMISA-N 299.418 3.697 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 431855527 BHXUXJPVUUZKMK-ARILJUKYSA-N 261.409 3.530 30 20 CHED Cc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)cnn1C(C)C 92715689 ULGULTPHPBMQRZ-CYBMUJFWSA-N 297.358 3.562 30 20 CHED C=CCOc1ccc(CNC(=O)c2ccc(C)cc2C)cc1 520262967 BNCUSCHVDBMNMO-UHFFFAOYSA-N 295.382 3.798 30 20 CHED Cc1ccc(Nc2snc(Cl)c2C#N)cc1F 92581889 MZXXQSLPVLLEAS-UHFFFAOYSA-N 267.716 3.859 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1sccc1C(C)C 437491839 BMEJXLCOKORERN-OCCSQVGLSA-N 293.432 3.583 30 20 CHED C=CCC[C@@H](CCC)N[C@@H]1Cc2cccc(O)c2C1 433042551 ZBIMIFCZJGNSGF-HUUCEWRRSA-N 259.393 3.584 30 20 CHED Cn1c(-c2ccc(C#N)cc2F)nc2ccc(Cl)cc21 432502370 BETUTNTVPXVAQL-UHFFFAOYSA-N 285.709 3.904 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 248837556 KIEYVKMXJHUTAL-SCLBCKFNSA-N 280.346 3.890 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)c1cc(C#N)cs1 529798418 CNAFFQDPUBZRTF-HNNXBMFYSA-N 298.411 3.761 30 20 CHED CC1(C)CC(Cc2noc(Cc3c(F)cccc3C#N)n2)C1 521637407 XRKMQLMNQPAEOO-UHFFFAOYSA-N 299.349 3.650 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(CC)CC 342469570 TVGXJHKDYQIIJO-UHFFFAOYSA-N 291.439 3.805 30 20 CHED CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(C#N)cc1 340335641 ATFQLFHYDYVOMB-ZDUSSCGKSA-N 296.374 3.614 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1cc2ccccc2o1 528743991 IOWVNCZZSQFJEO-UHFFFAOYSA-N 284.359 3.721 30 20 CHED C=CCOc1ccccc1CNC(=O)NC(C)(C)CCC 522620624 MUJHTWCFOQYHON-UHFFFAOYSA-N 290.407 3.629 30 20 CHED C=CC[C@@H]1N(C(=O)c2cnn3ccccc23)CCCC1(C)C 347418141 AVSQSYFPZGZEBT-INIZCTEOSA-N 297.402 3.541 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc3ccoc3c2)c1 344001721 XZBNBNRHQUEEQX-UHFFFAOYSA-N 262.268 3.557 30 20 CHED C=CCC(C)(C)c1noc(-c2cnn(-c3ccccc3)c2)n1 340816238 IUBLVXRWCNDBLH-UHFFFAOYSA-N 294.358 3.776 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCC[C@@H](OC)C2)n1 340771941 IYGPEOARMCWSQF-VXGBXAGGSA-N 264.369 3.596 30 20 CHED Cc1ncc([C@H](C)NC(C)(C)c2cccc(C#N)c2)c(C)n1 602705297 FUHXQTTWBZPWRL-ZDUSSCGKSA-N 294.402 3.551 30 20 CHED N#Cc1ccccc1CN1CC[C@H](Cc2ccc(F)cc2)C1 609916582 YFVPDUDMVOOIFL-MRXNPFEDSA-N 294.373 3.762 30 20 CHED N#Cc1ccnc(SCc2nc(C3CC3)cs2)c1 342548090 PNVUBLVPQGVNLQ-UHFFFAOYSA-N 273.386 3.579 30 20 CHED COc1cc([C@H](C)Nc2ccc(Cl)cc2C#N)ccn1 340934346 GRINMTBGJHWKFV-JTQLQIEISA-N 287.750 3.788 30 20 CHED Cc1nc(CCOc2cc(Cl)ccc2C#N)cs1 347751175 YZJCIRAOLVJTNX-UHFFFAOYSA-N 278.764 3.598 30 20 CHED C=CC[C@@H]1N(C(=O)CC(C)(C)CC(C)=O)CCCC1(C)C 444639257 YWYVFLYXOAVESQ-HNNXBMFYSA-N 293.451 3.975 30 20 CHED Cc1cccc(C(=O)/C=C\c2cc(C#N)cs2)c1 255537672 GEFNBYUASPRRBQ-WAYWQWQTSA-N 253.326 3.824 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@H]1CCCC[C@@H]1C 449302789 WBWZQQRNHSLBKS-BIVLZKPYSA-N 265.441 3.772 30 20 CHED CC(C)(CNCC1CCC(C#N)CC1)Oc1ccccc1 602653711 DAGHOBWZHOWKGH-UHFFFAOYSA-N 286.419 3.764 30 20 CHED C=C(CC)CN[C@@H]1CCc2cc(F)c(F)c(F)c21 449733658 JDHKKGCKUVMEGG-LLVKDONJSA-N 255.283 3.647 30 20 CHED CC(C)[C@@H]1CCc2ccccc2N1CC1(C#N)CC1 537412453 VBKJCHGITWMPOM-HNNXBMFYSA-N 254.377 3.768 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CC[C@@H](c3ccccc3F)C2)C1 442876314 VCSIRIMDQWIOME-KBXIAJHMSA-N 272.367 3.744 30 20 CHED C=CCC1(C(=O)NCc2ccccc2COC)CCCC1 449469705 MTDHTVXNVXWTEH-UHFFFAOYSA-N 287.403 3.586 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1ccc(F)cc1F 356473477 KEUDSVVOFHVUET-WDEREUQCSA-N 252.308 3.507 30 20 CHED CN(Cc1cc(C#N)cs1)c1ccc2cc[nH]c2c1 355295732 WFECXLFLQKMFNV-UHFFFAOYSA-N 267.357 3.737 30 20 CHED Clc1ccc(C#CCNC2(c3ccccc3)CC2)cc1 538159079 BKXXHZVNHLTPRC-UHFFFAOYSA-N 281.786 3.970 30 20 CHED Fc1ccc(C#CCNC2(c3ccc(F)cc3)CC2)cc1 440295607 UTABFRUHTOEVQF-UHFFFAOYSA-N 283.321 3.595 30 20 CHED C=C[C@@H](CC(=O)NC[C@H]1CC1(C)C)c1ccccc1 535397102 CPLLYMUKEKQFNL-DZGCQCFKSA-N 257.377 3.509 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 449353142 YLULOCITTDLVGP-NSODJVPESA-N 276.330 3.624 30 20 CHED N#Cc1ccc(C2=CCN(Cc3cccs3)CC2)cc1 355358866 ZNTHBWDNWCOLCM-UHFFFAOYSA-N 280.396 3.909 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 602728311 ZNXQQGNAIYKBAN-MAZHCROVSA-N 292.810 3.699 30 20 CHED CC[C@@H](C)NC(=O)c1ccc(NC[C@H](C)CCC#N)cc1 602644208 ANHPMZHUCFCLDG-ZIAGYGMSSA-N 287.407 3.567 30 20 CHED Cc1ccc(CCC(=O)Nc2ccc(F)c(C#N)c2)s1 353865756 HPOBRFLKQXOYRS-UHFFFAOYSA-N 288.347 3.639 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H]1CC[C@@H](C)C1 352572951 OMCLXTOPIYORAM-CABCVRRESA-N 275.392 3.663 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C(C)(C)C)C1 442899738 QPDJMGVLOODOLF-XJKSGUPXSA-N 256.393 3.987 30 20 CHED CC[C@H](CN[C@H]1CC[C@@H](C#N)C1)Oc1ccccc1Cl 442783764 NYKJLOIBSADFCP-HZSPNIEDSA-N 292.810 3.779 30 20 CHED C=CCC1(C(=O)NCCc2c[nH]c3ccccc23)CCCC1 449048792 WLTPYJZDCZGEEQ-UHFFFAOYSA-N 296.414 3.963 30 20 CHED CCc1cc(C#N)ccc1OCCOc1ccccc1OC 442106999 CZGMATWYPHADPH-UHFFFAOYSA-N 297.354 3.587 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 351738551 WXLVXONGILNOGH-ZDUSSCGKSA-N 287.407 3.587 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)NCC(C)(C)CCC#N 353333489 YNGLGAZRLUQEQB-GJZGRUSLSA-N 293.455 3.832 30 20 CHED CN(C(=O)[C@@H]1Cc2ccccc21)c1cc(Cl)ccc1C#N 359091038 VDZOJQKCJGHFSV-OAHLLOKOSA-N 296.757 3.514 30 20 CHED CC(C)Oc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 613365781 FLNVXKBIODLZSF-KRWDZBQOSA-N 288.391 3.532 30 20 CHED Cc1ccc(F)c(CN(CCC#N)CC(C)(C)C)c1 353421074 XZCXHNGSRJFSLE-UHFFFAOYSA-N 262.372 3.896 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H]1CC)c1ccccc1 536192152 OTNGUAXOMAAPJE-ZBFHGGJFSA-N 257.377 3.747 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccsc12 618694159 ZXQOHJLZYTWPIK-ZDUSSCGKSA-N 292.367 3.662 30 20 CHED C=CCN(Cc1ccccc1)Cc1cn2cccc(C)c2n1 613366627 DHGAFKWPWLXWRY-UHFFFAOYSA-N 291.398 3.831 30 20 CHED C[C@@H](c1cccnc1)N(C)c1nc(C(C)(C)C)ccc1C#N 613416738 JCHKUDUNHZFXLK-ZDUSSCGKSA-N 294.402 3.843 30 20 CHED CC#CCN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 532702684 ATJIYTUHMHRTHJ-SFHVURJKSA-N 283.346 3.537 30 20 CHED C[C@@H](N[C@H]1COc2c(Cl)cccc21)c1ccc(C#N)cc1 365972103 OZXCOQNPVKHXJY-BZNIZROVSA-N 298.773 3.996 30 20 CHED CC[C@@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 455794522 NFHOIKCURVYYIL-LLVKDONJSA-N 289.379 3.656 30 20 CHED Cc1cnc(N2CC=C(c3ccc(C#N)cc3)CC2)s1 365456702 GRKCOZHSCIFTOY-UHFFFAOYSA-N 281.384 3.617 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cnccc1C 362389783 QDFTVEJYZVLZLJ-UHFFFAOYSA-N 284.384 3.920 30 20 CHED N#CC1(CN[C@@H](c2cccc(F)c2)C2CCCC2)CC1 538392466 UBXRPWCDRJKIGG-MRXNPFEDSA-N 272.367 3.950 30 20 CHED C=C(CC)CNC(=O)CC(C)(C)CC(=O)c1ccccc1 456810914 HMLAWNOELPPXLS-UHFFFAOYSA-N 287.403 3.758 30 20 CHED CC(C)n1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cn1 268806122 MFXIHCPNGYYMAH-ZIAGYGMSSA-N 282.391 3.747 30 20 CHED C=C[C@H](CC(=O)NCC1CCCC1)c1ccccc1 534651584 XLZGZAOIKUQRGH-OAHLLOKOSA-N 257.377 3.653 30 20 CHED Cc1nc(C(C)C)oc1COc1ccc(C#N)c(F)c1 450838605 FRAYVHKYURHFJX-UHFFFAOYSA-N 274.295 3.696 30 20 CHED CC1CCC(N[C@@H]2CCc3cc(C#N)ccc32)CC1 618808026 YOADSRYAYHGGDH-MWHAMWOXSA-N 254.377 3.714 30 20 CHED C=CCCc1noc([C@@H]2CCCN2c2ccccc2)n1 453241171 VQHVHCWGCLBJSP-AWEZNQCLSA-N 269.348 3.530 30 20 CHED COC(C)(C)C[C@H](C)Nc1nc(C)c(C#N)cc1Cl 360051450 NQEHNQKHIJEXHF-VIFPVBQESA-N 281.787 3.531 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](CC)Cc1ccccc1 455529719 YHHKSNJAMKPVHN-MRXNPFEDSA-N 274.408 3.615 30 20 CHED C=CCC[C@H](CCC)NCCNc1cccc(C)n1 540222829 WFSUIJFQSPUEQA-HNNXBMFYSA-N 261.413 3.526 30 20 CHED CCS[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)C(C)C 610362980 IBYSJCGBSQZWBW-SWLSCSKDSA-N 290.432 3.513 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1F 362301552 SIEUXTIMEPSXDE-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(C#N)c(Cl)c1 619766800 GQFJOBPTNSNZJH-YPMHNXCESA-N 290.794 3.654 30 20 CHED C=CCC[C@H](CC)NCCc1ccc(F)c(F)c1F 543426881 NAYZRUBMDZXALY-LBPRGKRZSA-N 271.326 3.981 30 20 CHED C[C@H](NC[C@]1(C)CCCS1)c1ccc(C#N)c(F)c1 271979067 WRKDKHGBCDPKMM-NHYWBVRUSA-N 278.396 3.634 30 20 CHED C=CCCC1(C(=O)N[C@H]2c3ccc(F)cc3O[C@@H]2C)CC1 360317723 KLWQTPZFHSMURH-IAQYHMDHSA-N 289.350 3.510 30 20 CHED C=CCOc1ccc(OCc2cccc(NC(C)=O)c2)cc1 360846100 MVCNKMTYXUEYLH-UHFFFAOYSA-N 297.354 3.789 30 20 CHED N#CC1(c2ccccn2)CCN([C@@H]2C=CCCCCC2)CC1 549673792 YBYCNHILAIFKFP-QGZVFWFLSA-N 295.430 3.828 30 20 CHED CC[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1C#N 546880432 UJBYVPDKHQNQJZ-SECBINFHSA-N 287.241 3.609 30 20 CHED C=CCC1(NC(=O)[C@H]2CC23CCSCC3)CCCCC1 456369991 QPNVFMPJVWGFPE-CQSZACIVSA-N 293.476 3.915 30 20 CHED N#CCCCC(=O)N1CCc2c(-c3ccccc3)cccc21 360646299 LBTKURCKFSQPKT-UHFFFAOYSA-N 290.366 3.937 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 544829642 NBDQYOFIWMBDEW-IXDOHACOSA-N 286.419 3.977 30 20 CHED N#Cc1cccc(C2(NCC3CCC(F)(F)CC3)CC2)c1 459384419 IMJBJGHONJVCOQ-UHFFFAOYSA-N 290.357 3.962 30 20 CHED CCCn1ncnc1CS[C@@H](C)c1cccc(C#N)c1 279846982 RUSNAWRGSFVUAB-LBPRGKRZSA-N 286.404 3.554 30 20 CHED CC(C)OCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 371781487 KUPCNWUZQAWOHJ-QZTJIDSGSA-N 286.419 3.573 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1N1CCCCCC1 465172048 AEXDKJFLHNTBOO-AWEZNQCLSA-N 287.407 3.763 30 20 CHED Cc1cccc(C)c1OCCCN1CCC(CC#N)CC1 541949764 XPCFAXLUTPYAOO-UHFFFAOYSA-N 286.419 3.698 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccc(F)cc1F)C(C)C 467999823 HAFJVQMWLIQEBZ-NHYWBVRUSA-N 296.361 3.926 30 20 CHED Cc1cc(Br)ccc1NC(=O)CC(C)(C)C#N 278388351 IRCVAZRTTJWVBX-UHFFFAOYSA-N 295.180 3.636 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2ccsc2C1 540490708 VWBUOWKUACEXIU-GFCCVEGCSA-N 278.421 3.561 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](CCC)c1cccc(Cl)c1 626066270 CGYPNKQBXZJWHP-BXUZGUMPSA-N 265.784 3.914 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1ccccc1SC 282109097 CTTYBZUGUQHJGD-CYBMUJFWSA-N 290.432 3.853 30 20 CHED C=CCOCC(=O)N1CCCC[C@H]1c1cccc(C)c1C 464595255 XPVHFBVHKZKBSM-KRWDZBQOSA-N 287.403 3.560 30 20 CHED N#CC[C@H](CC(=O)N1CCC2(CCC2)CC1)c1ccccc1 375809339 SPHMMPHVEOOVBP-QGZVFWFLSA-N 296.414 3.867 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1CCc1ccccc1 370604461 ZSKUKUWLKZPAMM-INIZCTEOSA-N 284.403 3.550 30 20 CHED C=CC[C@H](C(=O)NCC(C)(C)COCC)c1ccccc1 289984153 DANCEGZUAJYBIQ-INIZCTEOSA-N 289.419 3.525 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)CCc1ccc(Cl)cc1 466366695 KQWDVXSMEBDHMD-HNNXBMFYSA-N 294.826 3.879 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1nccn1-c1ccccc1 288197092 NWXQEQFDAHSHSX-RDTXWAMCSA-N 297.402 3.652 30 20 CHED C=CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H](C)CC 463954618 LXMLNXCUGZHIBK-BXUZGUMPSA-N 280.799 3.912 30 20 CHED CC(C)(C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 286093235 UBADJQMKHOLBBC-GOSISDBHSA-N 284.403 3.507 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(F)c(NC(=O)NC)c1 287632428 UGPKQCNKBVJRGT-WDEREUQCSA-N 279.359 3.590 30 20 CHED Cc1cccc(C)c1[C@@H](C)N=c1[nH]ccc(C#N)c1Cl 553492703 HXQBJYSTCXVGMW-GFCCVEGCSA-N 285.778 3.819 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(F)ccc1F 280737689 WMPUVFMTJCSVEX-MKBNYLNASA-N 281.346 3.597 30 20 CHED C#Cc1ccccc1Cc1nc([C@H]2CCC(F)(F)C2)no1 289707449 HLKYMLNVERTCPP-ZDUSSCGKSA-N 288.297 3.545 30 20 CHED COc1ccncc1CON=Cc1ccc(C(C)(C)C)cc1 808244820 OXIIBHUMTYVYCE-UHFFFAOYSA-N 298.386 3.938 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Br)cc1CC 477980530 FASFMGBLBIKWDA-VIFPVBQESA-N 297.196 3.708 30 20 CHED CCOC(=O)c1ccc(/C=C2/C(=O)c3ccccc3[C@H]2C)o1 809155717 DOYWIQFOEVUNMD-HGLKBHAMSA-N 296.322 3.840 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cc(F)ccc1Cl)OCC 801038852 VGQJFYYWPIMOFG-LBPRGKRZSA-N 286.730 3.756 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1[C@@H]1CCCC[C@H]1C 639404158 KVIYALBOJKYLGC-CPUCHLNUSA-N 284.403 3.893 30 20 CHED C=C(CN[C@@H](c1nnc[nH]1)C1CCCCC1)c1ccccc1 292197829 PKGJKTRTEOGODP-QGZVFWFLSA-N 296.418 3.729 30 20 CHED C[C@H](CCC#N)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 298605469 SRBHQXZNDINMKW-KMUNFCNLSA-N 296.773 3.591 30 20 CHED COc1cc(F)cc(NN=CC2(SC)CCC2)c1 800813885 LPESZGYMRQQCCC-UHFFFAOYSA-N 268.357 3.518 30 20 CHED C#C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)C(C)(C)C 808313406 SJLQSUXNNRPXTC-LLVKDONJSA-N 298.839 3.591 30 20 CHED C=CCCCCCCCCNC(=O)N1CCCOC[C@H]1C 806081573 PNUDVSDUVRHDPX-MRXNPFEDSA-N 296.455 3.724 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CCc2cccs2)cc1 290242923 SCTJRRLTMSKGHS-INIZCTEOSA-N 298.411 3.624 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CC(C)(C)C2CC2)cc1 560645403 PNLWSJWKCKTCGX-MRXNPFEDSA-N 284.403 3.756 30 20 CHED Cc1cc(CNc2ccccc2C#Cc2ccccc2)on1 562230212 QRUXODDPABNRGI-UHFFFAOYSA-N 288.350 3.995 30 20 CHED N#CCCSCc1cc(Cl)c2c(c1)OCCCO2 565645106 YEKQLBNDGVDACP-UHFFFAOYSA-N 283.780 3.648 30 20 CHED C=CCCCCCCNC(=O)N1CCSCC[C@H]1C 806004161 KLOYEOFVQZVEDX-CQSZACIVSA-N 284.469 3.660 30 20 CHED Cc1cc(CNC2(c3cccc(C#N)c3)CC2)cs1 295671664 KCNCNGGMGNMNDA-UHFFFAOYSA-N 268.385 3.707 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1COc2ccccc2[C@H]1O 808730601 IAFFEVYNKVOXKU-QILLFSRXSA-N 289.419 3.596 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1snnc1C 649474385 AMAKTHPLJGKIJY-UHFFFAOYSA-N 299.852 3.750 30 20 CHED O=C1/C(=C/c2c[nH]c(C(F)(F)F)c2)Cc2c(O)cccc21 806566881 CASGCCWOKBHYEL-RUDMXATFSA-N 293.244 3.562 30 20 CHED N#C[C@]1(C(=O)Nc2cc(F)c(F)cc2F)CC12CCCC2 294715436 WFGPFZSOEKHWJX-HNNXBMFYSA-N 294.276 3.516 30 20 CHED CCCC[C@@H](C)[C@H](C)NCc1ccc(OCC#N)cc1 808705635 MYMORDUGSOKENF-CABCVRRESA-N 274.408 3.893 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)C(C)(F)F 293920628 XVEKZEIMZOMZLH-GFCCVEGCSA-N 297.345 3.501 30 20 CHED CC[C@@H](Nc1ccc(C#N)c(C)n1)c1nc(C)cs1 292092824 YSMURIJRKQJGND-GFCCVEGCSA-N 272.377 3.590 30 20 CHED C=CCCCCCCNc1ccc(-c2nc(C)no2)cn1 804851229 PHNUWZXPQRGEGT-UHFFFAOYSA-N 286.379 3.988 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](C)CCC2CC2)cc1 470356492 UDQITHYKEWTSJE-CYBMUJFWSA-N 273.376 3.560 30 20 CHED C#CCCCCCC(=O)Nc1c[nH]nc1-c1ccccc1F 801277919 HUHALWGJIKMGRU-UHFFFAOYSA-N 299.349 3.738 30 20 CHED CC(C)(C#N)C(=O)Oc1ccc(OCC2CC2)c(Cl)c1 294746879 YQRJPSXRGFRYCI-UHFFFAOYSA-N 293.750 3.584 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(OC)c(C)c2)no1 561892598 JFEKJADBZOCBOS-MRXNPFEDSA-N 272.348 3.907 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc2cc(C)ccc2s1 565992932 NWKIHBGGIDJMJG-HNNXBMFYSA-N 272.373 3.632 30 20 CHED C=CC[C@@H](C(=O)N(C)CCC(F)(F)F)c1ccccc1 488694620 OXTPMVJZWSSTDM-CYBMUJFWSA-N 285.309 3.757 30 20 CHED C=CC[C@@H](NC(=O)N(CC)C(CC)CC)c1ccncc1 812048369 SSUPCDWAYHTJBX-MRXNPFEDSA-N 289.423 3.919 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CCc2cccnc21 819917101 SFMGSMFUZRHFIL-OAHLLOKOSA-N 274.408 3.588 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(Cn2cncn2)cc1 569410761 IRNIELHZFDIHQF-GOSISDBHSA-N 298.434 3.551 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc(OC)c(O)c2)cc1 811697803 GPEDXCVWRHXDKA-CSKARUKUSA-N 282.339 3.859 30 20 CHED CC1(C)CC(=NOC2CCC2)c2cc([N+](=O)[O-])ccc21 812236183 HOKXNYXRHCBGOL-UHFFFAOYSA-N 274.320 3.549 30 20 CHED N#Cc1cccnc1/C=C\c1ccc(Br)s1 486102288 MDBCKBSJQOLXLP-HYXAFXHYSA-N 291.173 3.948 30 20 CHED CCOc1ccc(NN=Cc2ccc(C(C)(C)O)cc2)cc1 814984993 OIEIVAUTJDKHRJ-UHFFFAOYSA-N 298.386 3.759 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(OC)cc2F)no1 576431456 AQYXDRNFHBMADC-INIZCTEOSA-N 290.338 3.662 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)C(C)(F)F 815899911 HMMRCPFTPHTARR-ZYHUDNBSSA-N 288.297 3.702 30 20 CHED C=CCCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 572773242 HQSIWKUXLNECTD-UHFFFAOYSA-N 284.237 3.754 30 20 CHED C=CC[C@@H](CC)NCc1cncc(Br)c1C 657455055 HBCQOMSOVCYPPP-GFCCVEGCSA-N 283.213 3.597 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C)s1)c1ccc(Cl)cc1 811944733 IMWLZABFMOEGSL-CYBMUJFWSA-N 289.787 3.814 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 486494080 ZMZBXRGCMDFTCM-USXIJHARSA-N 286.419 3.977 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(C2CCCC2)cc1 572425033 FEHREYYHYBVJMH-INIZCTEOSA-N 270.376 3.766 30 20 CHED COCCON=Cc1sc2c(Cl)cccc2c1C 814865524 XQICOQIDNQQYRC-UHFFFAOYSA-N 283.780 3.860 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@H](CC1CCCCC1)C(C)(C)C 571606462 VVEHDYUDYSOIAC-QAPCUYQASA-N 295.467 3.815 30 20 CHED CSc1ccc(CN(CCC#N)CC(C)C)s1 811453170 IFIBVUSYHUFFEP-UHFFFAOYSA-N 268.451 3.842 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C(CC)CC)no1 488877861 KTHUBPWQILXVRD-CYBMUJFWSA-N 276.380 3.759 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(C#N)cc1 729147957 KYCYFACBZAMEOU-UHFFFAOYSA-N 277.371 3.505 30 20 CHED N#Cc1nn(Cc2ccc3ncccc3c2)c2ccccc12 578587668 OBMJSOIKFWFALX-UHFFFAOYSA-N 284.322 3.504 30 20 CHED C=CCN1CCC(NCc2cc3cccc(CC)c3o2)CC1 657354186 ZNTAXZVTJVIBBI-UHFFFAOYSA-N 298.430 3.735 30 20 CHED C#Cc1cccc(N(C)C(=S)N[C@@H](C)c2ccccc2)c1 728448153 KUMUPBGCWALOMY-AWEZNQCLSA-N 294.423 3.740 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc(Cl)cc1 488872153 XHALZMGCWIWHHX-OAHLLOKOSA-N 277.795 3.840 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1cc(F)ccc1F 729641505 KNUTWBGWCPRWHH-LSCVHKIXSA-N 281.689 3.943 30 20 CHED CCOc1cccc(/C=N\Cc2cc(F)ccc2F)c1O 729641576 OCMGFNPWQHGRGC-OCKHKDLRSA-N 291.297 3.688 30 20 CHED C=CCOCCN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 573865594 IBEHFMJZRDOQFI-GFCCVEGCSA-N 287.325 3.901 30 20 CHED N#Cc1c(F)cccc1SC[C@@H]1CC1(Cl)Cl 725787379 GAINGBQCODZJIK-ZETCQYMHSA-N 276.163 3.983 30 20 CHED N#CCc1ccccc1NC(=O)C1(Cc2ccccc2)CC1 578934455 GQYCRIJNDHEKML-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C=CCCC(=O)OCc1coc(-c2ccc(F)c(F)c2)n1 728627017 HFNNVBKEYMVCDY-UHFFFAOYSA-N 293.269 3.629 30 20 CHED C=CCCCC(=O)Nc1cc(F)c(OC(F)F)cc1F 490279767 RCJMQTCDGWSCRF-UHFFFAOYSA-N 291.244 3.861 30 20 CHED CO[C@H]1Cc2ccc(NC3CCC(C)(C#N)CC3)cc2C1 824146846 CTTDFYVLMHGSFL-NXYGQSRBSA-N 284.403 3.685 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(F)ccc2C)C1 665156316 CFHQJWIUOSRKNW-ZDUSSCGKSA-N 276.355 3.954 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCOc2ccccc2[C@H]1C 661123809 SCKRWGYEBSEHDC-ZIAGYGMSSA-N 288.391 3.506 30 20 CHED CCCCCCCCC(=O)NCc1c(C)nn(CC)c1C 727330989 HTTQQJFGARQLDS-UHFFFAOYSA-N 293.455 3.887 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2F)C1 665886097 XNFCVXDKOIJJJN-NSHDSACASA-N 280.318 3.785 30 20 CHED CCCC(Cc1ccccc1)=NNc1oc(C)nc1C#N 727256312 XKTAIGYLVHKABA-UHFFFAOYSA-N 282.347 3.665 30 20 CHED C=C(C)C(C)(C)C(=O)OCCC(C)(C)CC(=O)OCC 821452152 PDZHRXSPKHJJEK-UHFFFAOYSA-N 284.396 3.501 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)C[C@@H](OC)C3)CCCC1 828279696 ALNGWBBFJVKFTE-KRWDZBQOSA-N 299.414 3.875 30 20 CHED Cc1ccccc1CN(CCCC#N)Cc1ccccn1 583148766 PEDUCUPAGGEYML-UHFFFAOYSA-N 279.387 3.696 30 20 CHED COc1cc(/C=C2\Cc3cc(O)ccc3C2=O)ccc1C 588599087 PFFFIJUXMGDCFU-VGOFMYFVSA-N 280.323 3.532 30 20 CHED C=C(C)[C@@H](NC(=O)OCCCF)c1ccc(F)c(F)c1 495943257 QYTUBPLFBSDDTI-CYBMUJFWSA-N 287.281 3.668 30 20 CHED CSc1ccc(C(=O)N(O)Cc2ccc(F)cc2)cc1 901375665 IXOAJKYUTRKROA-UHFFFAOYSA-N 291.347 3.579 30 20 CHED CC#CCCNC(=O)Nc1ccccc1-c1cccs1 497665234 CCFSDYRMLCBODV-UHFFFAOYSA-N 284.384 3.950 30 20 CHED C#CCOc1ccc(CN[C@@H](C)CCCCC)cc1 733323389 YFNOBZWNZMXFTM-HNNXBMFYSA-N 259.393 3.757 30 20 CHED C=CCCCN(Cc1ccccc1OC)C[C@H]1CCCO1 583464448 SFCAOPKAFOCLLB-QGZVFWFLSA-N 289.419 3.642 30 20 CHED CN(C)Cc1ccc(-c2csc(CC#N)c2)cc1F 904761209 XXGCMWVSOQEJLR-UHFFFAOYSA-N 274.364 3.682 30 20 CHED COCCC[C@@H](NCC1(C#N)CCC1)c1ccc(F)cc1 903032278 INNAAJSCJQMIDN-MRXNPFEDSA-N 290.382 3.577 30 20 CHED C=CCn1c(C2CC2)nnc1N1Cc2ccccc2[C@@H]1CC 908637488 UEPVRJPKKAYRJC-INIZCTEOSA-N 294.402 3.813 30 20 CHED C#CCC[C@@H](C)OC(=O)c1scnc1C1CCCC1 839043651 UCPDNPBUMWOPFR-LLVKDONJSA-N 277.389 3.759 30 20 CHED C=CCCC[C@H](C)OC(=O)c1cccc(Cn2ccnc2)c1 835269919 PMDKJCYXPLXCOL-HNNXBMFYSA-N 298.386 3.833 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C#N)s2)ccc1C 588599228 SSZZVSXHKMRKDI-ALCCZGGFSA-N 283.352 3.833 30 20 CHED CC(=NOCCC1SCCS1)c1ccc(F)cc1 902856552 NKTVJMMWENODQU-UHFFFAOYSA-N 285.409 3.763 30 20 CHED CC(C)c1cnc(NC(=O)CCCCCC#N)s1 588620615 FHULDRJKNJGKHO-UHFFFAOYSA-N 265.382 3.679 30 20 CHED CCCCCC(C)=NNc1cnnc2ccccc12 733748078 FSDXNSOCVODZEJ-UHFFFAOYSA-N 256.353 3.998 30 20 CHED C=C(CNC(=O)CCSCCCC)c1ccccc1 588775827 HSLUXOPXZKOJLO-UHFFFAOYSA-N 277.433 3.739 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2ccsc2)c1 730149401 HPQCSZVSYWUICX-SNAWJCMRSA-N 269.325 3.547 30 20 CHED CON=Cc1ccc(C(=O)O[C@@H](C)c2cccc(C)c2)cc1 737344262 HIEFUOZBAKUSRU-AWEZNQCLSA-N 297.354 3.893 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(C)cc1OC 678890479 IBRDJTFZIGWTPZ-ZDUSSCGKSA-N 276.380 3.870 30 20 CHED N#CC1(CCCCOc2cccn3ccnc23)CCC1 902755526 QFUJBTODNFBQEG-UHFFFAOYSA-N 269.348 3.577 30 20 CHED CC[C@H](NC1CCN(CC(C)C)CC1)c1cccc(C#N)c1 902737032 OIMDOKRFAQYHJG-IBGZPJMESA-N 299.462 3.719 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)CC3=CCCCC3)[nH]c12 735791606 ABAYBCOFQOEXDI-AWEZNQCLSA-N 293.370 3.938 30 20 CHED Cc1cc(C=NN[C@@H](C)C(F)(F)F)c(C)n1CC(C)C 834996537 SWGREUKPGUUFJB-LBPRGKRZSA-N 289.345 3.635 30 20 CHED Cc1ccsc1C=NNc1ncccc1Cl 917549487 PEWIVJYJHREFNZ-UHFFFAOYSA-N 251.742 3.551 30 20 CHED Cc1ccc(C=NNCc2cccc3cccnc23)cc1C 915959522 OPGYYMBUXXYXEE-UHFFFAOYSA-N 289.382 3.975 30 20 CHED C/C(=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C1CC1 917647577 RKPHHZMYENPWPU-GDNBJRDFSA-N 296.414 3.899 30 20 CHED Cc1oc(CSc2ccc(C#N)cc2F)cc1C(=O)O 738976607 VENMSFHRIRFOPH-UHFFFAOYSA-N 291.303 3.589 30 20 CHED C=CCN(C(=O)c1ccc(C)c(-n2cccc2)c1)C(C)C 914683260 NCAPLJOMAYJQTE-UHFFFAOYSA-N 282.387 3.822 30 20 CHED CC(=NOC(C)C)c1sc(-c2cccnc2)nc1C 835004002 DZJMEGCBDRSVNN-UHFFFAOYSA-N 275.377 3.663 30 20 CHED N#Cc1ccc(NN=Cc2cccc(Cl)c2)cc1 915962127 NITBYYRPYKMJBA-UHFFFAOYSA-N 255.708 3.658 30 20 CHED C=CCCOCC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 674308933 KEUJLDYTWLTUTO-KRWDZBQOSA-N 289.419 3.791 30 20 CHED CC[C@H](C)CCNC(=O)C[C@H](CC#N)c1ccccc1 597978801 RWTDEOQQJQAOJY-HOCLYGCPSA-N 272.392 3.626 30 20 CHED Cc1ccccc1C=NNc1ccc(Cl)c(C(=O)O)c1 916259555 ORLRUSRVYZGYSF-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C[C@@H]1CN(CCOc2ccccc2C#N)Cc2ccccc21 918734880 GEWBIKCXJQLKCC-OAHLLOKOSA-N 292.382 3.556 30 20 CHED C=CCCCC(=O)Nc1ccc(-c2coc(C)n2)cc1 748292477 SFRYSZMSJQBXIC-UHFFFAOYSA-N 270.332 3.945 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2C[C@@H]2C2CCCCC2)c1 741465767 YFXDNYOPPKVKAA-IGIWSDCRSA-N 288.347 3.688 30 20 CHED C#CCN(C(=O)C[C@@H](C)c1ccccc1)C1CCCCC1 743692425 VFXRDUXFKNSKIH-MRXNPFEDSA-N 283.415 3.975 30 20 CHED CCC(CC)(C/N=C\c1cc(OC)ccc1O)SC 743043907 BWOCTTGGEYJWCP-YBEGLDIGSA-N 281.421 3.742 30 20 CHED CCn1cc(/C=C\C(=O)c2cc(C)c(F)c(C)c2)cn1 741468695 XFWSUQITNLWBKU-WAYWQWQTSA-N 272.323 3.555 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)cc1)CC2 741849527 WSQZJBRVZBRDKR-GXDHUFHOSA-N 280.323 3.613 30 20 CHED C=CCN(C(=O)c1ccc2c(c1)CCCC2)C(C)C 914683140 HYMSBVWIXFBWEI-UHFFFAOYSA-N 257.377 3.602 30 20 CHED Cc1cc(CN(C)C[C@@H](C)C#N)c(O)c(C(C)(C)C)c1 746705783 BFGAFJAXKKEPRI-ZDUSSCGKSA-N 274.408 3.590 30 20 CHED Cc1c(Cl)cccc1NC(=O)N1CCC[C@H](CC#N)C1 596630473 SSEOBWJZDJFLCK-GFCCVEGCSA-N 291.782 3.806 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)c(Cl)c1 598446431 ZVQJEVXLDLXUAQ-FTNCPSPGSA-N 288.778 3.615 30 20 CHED Cc1ccccc1C1CC(NCCc2ccc(C#N)cc2)C1 595055260 BTALLRHSGLMLGQ-UHFFFAOYSA-N 290.410 3.945 30 20 CHED C=CCCOC(=O)c1ccc(-c2ccsc2)nc1C 740236379 OXGDQSCNIMPXHU-UHFFFAOYSA-N 273.357 3.851 30 20 CHED N#CC1(CC(=O)N[C@H]2C[C@H](c3ccccc3)C2)CCCCC1 597608223 BNAHUCPMILEUHF-QAQDUYKDSA-N 296.414 3.913 30 20 CHED N#CCCCOC(=O)C(c1ccccc1)c1ccccc1 916597635 UPVXXEYCXRTNBF-UHFFFAOYSA-N 279.339 3.665 30 20 CHED N#CC[C@@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 595611709 NDBBOTDIWYHBHE-ZDUSSCGKSA-N 299.349 3.606 30 20 CHED COCc1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1 741842567 USUCKZWQDIKWKX-MHWRWJLKSA-N 278.351 3.964 30 20 CHED CC[C@@](C)(NC(=O)CC1(C#N)CCCCC1)C(F)(F)F 598815662 NXRZHSXFFHUYFH-GFCCVEGCSA-N 290.329 3.698 30 20 CHED CCOC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCCC1 590260915 XFNQCUGNVDHGMT-GOSISDBHSA-N 298.430 3.875 30 20 CHED COc1cccc(C=NNc2ccc(Cl)cc2)c1OC 916246742 LBMRTOMRIOCWLH-UHFFFAOYSA-N 290.750 3.803 30 20 CHED N#Cc1ccc(C=NNc2nccc3sccc23)s1 748787059 YMJGXZNHOQMYJE-UHFFFAOYSA-N 284.369 3.675 30 20 CHED CCOc1ccc(C=Nc2cccc(COC)c2)c(O)c1 914558397 VQSBJBPSWTXCKC-UHFFFAOYSA-N 285.343 3.688 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cc2cc(Cl)ccc2s1 597143241 GBJVTYIKNTVGGQ-SECBINFHSA-N 292.791 3.929 30 20 CHED CC(CCCCC#N)=NNc1c(F)cccc1F 841625133 DIHJQOSDQFUFGV-UHFFFAOYSA-N 251.280 3.837 30 20 CHED Cc1ccc(C#N)nc1N1C[C@H](c2ccccc2)C[C@@H]1C 596130251 ZGQNTEMDOAAVAI-GOEBONIOSA-N 277.371 3.644 30 20 CHED CC[C@H](C#N)C(=O)N1CC=C(c2ccccc2Cl)CC1 593571383 HDBNGPPRDHBFHM-GFCCVEGCSA-N 288.778 3.505 30 20 CHED CCS[C@@H]1CCCC[C@H]1N[C@@H](C)CC(C)(C)C#N 925227327 UBLNBSBFXOQCND-BFHYXJOUSA-N 268.470 3.969 30 20 CHED CC(C)[C@]1(C)C[C@H]1Nc1snc(Cl)c1C#N 840338593 DBAAZDLUIVSWPW-KCJUWKMLSA-N 255.774 3.515 30 20 CHED CO[C@H](C=NNc1ccccc1Cl)CC(C)C 841602542 JMBQPRQVDUNSBR-NSHDSACASA-N 254.761 3.799 30 20 CHED C[C@H](NN=Cc1c(O)cccc1Cl)c1ccccc1 755664232 JIKBGHSNFUVTNJ-NSHDSACASA-N 274.751 3.730 30 20 CHED C[C@@H]1CC/C(=C\C(=O)Nc2ccc(C#N)c(Cl)c2)C1 753626572 QMPSXVONOAKWMY-UEUZTHOGSA-N 274.751 3.897 30 20 CHED C#CC(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C 754028124 VULSNWBMCAWROB-LBPRGKRZSA-N 298.213 3.558 30 20 CHED C=C(Cl)CN1CCC(Cc2nc3ccccc3[nH]2)CC1 852190937 IJURCANDHOFMOD-UHFFFAOYSA-N 289.810 3.570 30 20 CHED C[C@H]1CC[C@H](CC(=O)OCc2ccc(C#N)cc2F)C1 759407211 RVJCYRFGYLIYNR-RYUDHWBXSA-N 275.323 3.567 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2ccncc2c1 851206534 SXCWNBQWCCSFIT-LBPRGKRZSA-N 282.343 3.720 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc2ccncc12 851206209 PDMVUHJONCRKOZ-LBPRGKRZSA-N 282.343 3.720 30 20 CHED CCc1noc(C)c1CON=Cc1ccc(Cl)cc1 757612301 FJQDUFMLAGJIFS-UHFFFAOYSA-N 278.739 3.750 30 20 CHED C[C@H](OC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(C)(C)C#N 753621031 FRXHCJBIELZXEU-MNOVXSKESA-N 291.416 3.968 30 20 CHED C=C[C@@H](C)NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 757006847 OHGBXEKDJCEJCS-RJCSOLBVSA-N 283.293 3.799 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)C12CCC(CC1)C2 752125664 XRWJTABJIOVCGO-UHFFFAOYSA-N 288.774 3.815 30 20 CHED CCN(CCCCC1(C#N)CCC1)CCc1ccccn1 929891092 DTTIVTBBBHMRGS-UHFFFAOYSA-N 285.435 3.810 30 20 CHED CC(C)Oc1cccc(C=NNc2cccc(C(=O)O)c2)c1 921254475 WNJRVJLVIRZWMN-UHFFFAOYSA-N 298.342 3.618 30 20 CHED CC1(C)C[C@]1(C(=O)OCC1(C#N)CCC1)c1ccccc1 850292675 ASAPBDNCBRWFTB-GOSISDBHSA-N 283.371 3.591 30 20 CHED CC[C@H](C)c1ccc(OC(=O)c2ccc(C#N)[nH]2)cc1 752474777 ITPZVCZGPVMFFY-NSHDSACASA-N 268.316 3.619 30 20 CHED Cc1cccc(C)c1/C=C/C(=O)c1ccc(CC(=O)O)cc1 755586163 IGELLNWLGQJDES-ZHACJKMWSA-N 294.350 3.827 30 20 CHED Fc1ccc(C=NOC/C=C\c2ccccc2)cc1 851980721 LDQCASPWEBARFI-HOKJPRDKSA-N 255.292 3.890 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2c3ccccc3n(C)c2s1 753414064 UHCNALSBIPEUHQ-JTQLQIEISA-N 298.367 3.852 30 20 CHED C(=NNc1cnc2ccccc2n1)[C@H]1C[C@@H]1c1ccccc1 755690013 XVMLOQNXMLOFJS-HUUCEWRRSA-N 288.354 3.831 30 20 CHED CC(C)C[C@@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 928220954 KXFNDZZCOFQTOD-DOTOQJQBSA-N 284.403 3.578 30 20 CHED FC(F)(F)c1ccc(NN=C/C=C\c2ccccc2)nn1 754709752 QUAJSVOKJJOEPL-HMUYFDHHSA-N 292.264 3.607 30 20 CHED CC(C)c1ccc(C2(O)CCC(=NNC3CC3)CC2)cc1 758127212 MNPYKOCIDPWLAX-UHFFFAOYSA-N 286.419 3.680 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)O[C@@H](C)CC(C)(C)C#N 851208791 DSKDVUNQYHKAJJ-DZGCQCFKSA-N 295.423 3.986 30 20 CHED C#CC(=O)N[C@@H](c1ccc(CC(C)C)cc1)c1cccs1 753914328 OLMOJJCAXIUGRA-SFHVURJKSA-N 297.423 3.785 30 20 CHED CCOc1ccc(-c2nc(CON=CC3CC3)co2)cc1 853734924 LXPSXARFWHJXBK-UHFFFAOYSA-N 286.331 3.653 30 20 CHED CC[C@H](C)c1ccc(NC(=O)CON=CC2CC2)cc1 853736711 LHAZUQUELYNYDY-LBPRGKRZSA-N 274.364 3.551 30 20 CHED C=CCCC(C)=NNC(=S)Nc1ccc(C)cc1 758074665 XKYDOMBYXHDRNH-UHFFFAOYSA-N 261.394 3.624 30 20 CHED C=C1CN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 930443444 WMHXIHZBTJWNBX-UHFFFAOYSA-N 272.682 3.681 30 20 CHED C#CC[C@H](NC(=O)Nc1ccccc1)c1ccccc1 756869067 YQMUTOQFTPFLLM-INIZCTEOSA-N 264.328 3.573 30 20 CHED CC(=NNC(=S)Nc1cccc(C)c1C)C(F)(F)F 761745489 IHIZMMFOTCRWIC-UHFFFAOYSA-N 289.326 3.528 30 20 CHED COc1ccc(NN=C(C)c2cccs2)c([N+](=O)[O-])c1 767797802 QSWWLKGMIIFVIL-UHFFFAOYSA-N 291.332 3.501 30 20 CHED N#Cc1cccc(C(=O)OCc2ccc(C(F)F)cc2)c1 764492079 QIEHFZZSWOSKLG-UHFFFAOYSA-N 287.265 3.853 30 20 CHED COc1ccc(CNc2ccc3occc3c2)cc1C#N 864017306 DRKUXIKCMLEIGW-UHFFFAOYSA-N 278.311 3.925 30 20 CHED FC(F)(F)CNN=C1CCC(c2ccccc2)CC1 769823411 ZOYLGOTYIQXTAK-UHFFFAOYSA-N 270.298 3.852 30 20 CHED C#CCCCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 766914786 WQEVSCAFAVQOMY-INIZCTEOSA-N 266.388 3.761 30 20 CHED CCC(CCc1ccccc1)=NNc1ccc([N+](=O)[O-])cn1 863080245 SRHREFYUDJAQLJ-UHFFFAOYSA-N 298.346 3.801 30 20 CHED C#CCCCSCc1coc(-c2ccccc2OC)n1 865279638 JLZGEPXANOITHK-UHFFFAOYSA-N 287.384 3.997 30 20 CHED COc1ccc2c(c1)C(=NNc1ccccc1)CCCO2 763107459 YJNWXQJGDLOUEZ-UHFFFAOYSA-N 282.343 3.684 30 20 CHED C=CCCCC(=O)OCc1nnc(-c2ccccc2)s1 766738224 XCIFRZVZRJYSSN-UHFFFAOYSA-N 288.372 3.605 30 20 CHED C#CCCCCCC(=O)NCc1c(C)oc2ccccc12 767214031 WMAXWFVYWDZKIJ-UHFFFAOYSA-N 283.371 3.941 30 20 CHED Cc1csc([C@H](N[C@H](C#N)c2ccccc2)C2CC2)n1 1118557343 GEXNEIRSLUVCOC-HUUCEWRRSA-N 283.400 3.757 30 20 CHED O=C(O)c1cccc(/C=C2/CCCc3ccccc3C2=O)c1 774107276 XQTWEJWAPITENT-PTNGSMBKSA-N 292.334 3.987 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cccc2cc[nH]c12 772729081 DAVLLKAKRZEWKO-HJWRWDBZSA-N 287.322 3.691 30 20 CHED C=CCCOCCCCC(=O)NCc1c(C)cccc1F 775757471 FLVISQDKZKJKCY-UHFFFAOYSA-N 293.382 3.513 30 20 CHED COc1ccc([N+](=O)[O-])cc1CSCCCCC#N 871709601 DGPZHPLKIOFFDV-UHFFFAOYSA-N 280.349 3.530 30 20 CHED CCCCCCCNC(=O)N(Cc1cccnc1)C1CC1 875765515 QVUAMIDJQCCENX-UHFFFAOYSA-N 289.423 3.726 30 20 CHED C[C@H]1CC/C(=C\c2nnc(-c3cccc(C#N)c3)o2)C1 1118360580 KJRSHJSFAYVMMT-UTEVDWOZSA-N 265.316 3.812 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C3CCC=CCC3)[nH]c12 873504528 HJARCQOBMZPNTO-AWEZNQCLSA-N 293.370 3.794 30 20 CHED C[C@H](/N=C\c1ccccc1O)c1ccc(N(C)C)cc1 773908875 YLCINJWQRVIBGF-CYUIRQCWSA-N 268.360 3.638 30 20 CHED Cc1cccc(C=NNc2nccnc2C(C)C)c1C 773075077 UGCRKNDOWDVLLJ-UHFFFAOYSA-N 268.364 3.663 30 20 CHED N#Cc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)c(F)c1 772805110 FVHOIQHCRGXSIK-AWNIVKPZSA-N 281.261 3.659 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccc3[nH]ncc3c1)CC2 779812665 WUPUMACLNSDSBR-UHFFFAOYSA-N 276.343 3.634 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](c3ccccc3OC)C2)CC1 889093000 XEHWRSQYIOKIOL-MRXNPFEDSA-N 299.414 3.758 30 20 CHED C#CCOc1ccccc1NCc1cccc(OCC)c1 775361387 INYSOYKGMYBQTK-UHFFFAOYSA-N 281.355 3.709 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2F)C1 888354099 QNCRBEGMXGBKFO-WCQYABFASA-N 289.354 3.740 30 20 CHED CC(C)Oc1ccccc1C=NOCc1ccc(CO)cc1 778589474 NNKXBNUNOALZPJ-UHFFFAOYSA-N 299.370 3.517 30 20 CHED Cn1c(Cl)cnc1[C@@H](C#N)C(=O)CCC1CCCCC1 1123338245 ZJCUWKMLZKVQKD-LBPRGKRZSA-N 293.798 3.610 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C(F)(F)F)s1 1121160212 DQSLGYAGPKSIJX-MRVPVSSYSA-N 290.310 3.531 30 20 CHED CCC1(CC)CCC(Nc2nccnc2C#N)CC1 302748810 GMNWFJVARJTSRO-UHFFFAOYSA-N 258.369 3.509 30 20 CHED C=C(CC)C(=O)N([C@@H](C)COC)[C@H]1CCc2ccccc21 1123937827 XSLKYORGIULXRD-YOEHRIQHSA-N 287.403 3.504 30 20 CHED N#CCCCCN[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 886522820 REDKGVZTWKDGHO-MRXNPFEDSA-N 285.366 3.968 30 20 CHED Cc1cc(COC(=O)c2sccc2C)ccc1C#N 782023402 PZXSZSOLZQSEPD-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C[C@@H]1CCC(=NNc2ccc(C(F)(F)F)nn2)[C@H](C)C1 783863888 SDCJLABDSJYSRL-RKDXNWHRSA-N 286.301 3.719 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1Cl 780251544 VIWVXUWTXNDGRG-LBPRGKRZSA-N 298.789 3.750 30 20 CHED C[C@@H]1C[C@@H](CC/N=C\c2cc(Cl)ccc2O)CCO1 783684672 GZIVTWVISGMXLS-QKMGMNGGSA-N 281.783 3.670 30 20 CHED C=C1CCC(C(=O)NC[C@H]2CCCCC2(F)F)CC1 891259036 BVMKQSDLNAZBAX-CYBMUJFWSA-N 271.351 3.675 30 20 CHED Cc1cc(C=NNC2CCCCC2)cc2cccnc12 786042280 PDLWZMYLQKVOHB-UHFFFAOYSA-N 267.376 3.799 30 20 CHED COc1ccccc1CCCNc1cccc(C#N)c1 76286966 LLVXNRCLMWUMTI-UHFFFAOYSA-N 266.344 3.612 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H]2CCCC(F)(F)C2)n1 409668183 IIYBCHVCVJKQRA-GFCCVEGCSA-N 279.334 3.808 30 20 CHED FC(F)Oc1ccccc1C=NNC1CCCCC1 786041249 YAAVJQBTNRYCRG-UHFFFAOYSA-N 268.307 3.544 30 20 CHED CC[C@@H](C)CON=Cc1ccc(O)c(Br)c1 793143833 AGOJYBNUUHQSAT-SECBINFHSA-N 286.169 3.551 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc(C(C)C)cc1 794700609 WSZJVGNCZNDOAT-MDZDMXLPSA-N 268.360 3.748 30 20 CHED CCCCCCCCC(=O)OC[C@H]1CCC[C@@H](O)C1 795332316 HJEXMTUUCJZCMA-LSDHHAIUSA-N 270.413 3.831 30 20 CHED CCCc1csc(NC(=O)c2ccc(C)c(C#N)c2)n1 799359017 SETZMZQENHVGCV-UHFFFAOYSA-N 285.372 3.528 30 20 CHED C=C1CCC(C(=O)NCc2cccc3cc[nH]c23)CC1 897517324 SSXOCWGSCYBDTQ-UHFFFAOYSA-N 268.360 3.531 30 20 CHED C=CCOc1ccc(COC(=O)C(C)(C)CSC)cc1 799987674 XXIDOVBKBSIMNC-UHFFFAOYSA-N 294.416 3.684 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CCC[C@H](OCC)C1 1205347371 NCNHHFIPMRPTDR-CABCVRRESA-N 288.391 3.717 30 20 CHED COCC[C@H]1CCCC1=NNCc1ccccc1Cl 799876619 VTFJGAHZRGPGRI-GFCCVEGCSA-N 280.799 3.622 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc(CC)cc1 798376433 YODLQTPHTXXQHC-ZDUSSCGKSA-N 262.422 3.890 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1sccc1C 187522683 NKJBHHJIXKDRKJ-UHFFFAOYSA-N 264.394 3.601 30 20 CHED Cc1csc(NC(=O)N[C@@H](C)c2cccs2)c1C#N 1204888486 FVUUOXPKPBRBES-VIFPVBQESA-N 291.401 3.872 30 20 CHED CCc1cccc2c1OC/C(=C\c1cccnc1Cl)C2=O 794729105 YCYNKSCMCONGBO-UKTHLTGXSA-N 299.757 3.956 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C3CC3)cnc2Cl)c1 792914331 CIOKJOFHKJYPLF-UHFFFAOYSA-N 296.757 3.846 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N1CCC(CC#N)CC1 581372090 UFMBISMVNUMQOQ-OAHLLOKOSA-N 276.424 3.911 30 20 CHED CSc1ccc(C(C)=NNc2ncccc2C)cc1 790194000 SPAZDKOSDRICRB-UHFFFAOYSA-N 271.389 3.948 30 20 CHED C=C[C@@H](CC(=O)OC[C@H]1CCC(C)(C)O1)c1ccccc1 792019532 FNXPNJSONFYDNL-GOEBONIOSA-N 288.387 3.847 30 20 CHED CCCCCCCCC(=O)N1CCC(F)(F)CC1 794295885 YLJCSIRWFNYYNK-UHFFFAOYSA-N 261.356 3.995 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C)c2F)cc1C#N 799362627 MBHQCWRAVPDYRL-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C[C@H](NCc1cnc(Cl)s1)c1cccc(C#N)c1 718211766 MNOIGRASEDUJDB-VIFPVBQESA-N 277.780 3.519 30 20 CHED CC#CCS[C@H](C)c1nc(-c2ccccc2C)no1 166762347 WGEZHQODOVVZNO-GFCCVEGCSA-N 272.373 3.863 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 1155481467 MDMDQUFUWGGNRO-ZIAGYGMSSA-N 297.402 3.755 30 20 CHED Cc1nc(NCC2Cc3ccccc3C2)c(Cl)cc1C#N 1306970506 SVJYKSCQMKQLCS-UHFFFAOYSA-N 297.789 3.742 30 20 CHED C[C@H]1CCC[C@H](C)C1NCCc1ccc(C#N)cc1 1307753396 WKGNMSOEWJJQHL-KBPBESRZSA-N 256.393 3.515 30 20 CHED C[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[C@H]2CC[C@H]1C2 1162090708 PVMNJUTUPHKCIH-AATLWQCWSA-N 281.812 3.905 30 20 CHED C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)C1CCCCCC1 1312474800 YGVRGQXPMBCKKA-CABCVRRESA-N 291.439 3.681 30 20 CHED CCOC(=O)C1CCC(=NNc2ccccc2Cl)CC1 1318111352 YBXHBQIKBOOYPW-UHFFFAOYSA-N 294.782 3.861 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCCC[C@H]1N(C)C 1327544387 RWIZKTCUERJMPL-HZPDHXFCSA-N 282.472 3.726 30 20 CHED CC[C@@H](c1ccccc1)c1nnc(-c2ccc(C#N)cn2)o1 1322365005 XSWKVOPANWZPMI-AWEZNQCLSA-N 290.326 3.545 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 1324288082 SULNXIPEUGWTFP-SNVBAGLBSA-N 296.248 3.646 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1csc(C#N)c1 1324717345 WHIKPGMDJFISBT-BZNIZROVSA-N 296.395 3.673 30 20 CHED CC(C)(C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1 1322293968 ICHLCZVOYWFQDV-UHFFFAOYSA-N 282.130 3.845 30 20 CHED Cc1ccc(Cl)cc1Oc1ncc(C#N)cc1F 1185575428 ZOTLAMMCOVPDMH-UHFFFAOYSA-N 262.671 3.847 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 1339065266 GAQNYTXFUNWSIA-IXDOHACOSA-N 284.403 3.558 30 20 CHED CCN(Cc1occc1C)c1ncc(Cl)c(C)c1C#N 1186731985 XYCQURKLDLEOCS-UHFFFAOYSA-N 289.766 3.843 30 20 CHED C[C@@H]1CC(CCNc2cc(C#N)cc(Cl)n2)C[C@@H](C)O1 1336638264 PPTLQODUJZJCAH-GHMZBOCLSA-N 293.798 3.612 30 20 CHED Cl/C=C\CON=Cc1c[nH]nc1-c1ccc(Cl)cc1 1261207494 FYZQAXIVSCOOOG-RWZBVZCCSA-N 296.157 3.833 30 20 CHED CC(C)(NCc1cccc(C#N)c1)c1ccc(F)cc1F 1197818876 PDGLUNKRADUNBZ-UHFFFAOYSA-N 286.325 3.861 30 20 CHED N#Cc1ccc(C2CCN(C(=O)OC3CCCC3)CC2)cc1 1193554440 SWNXITTYJUGJKB-UHFFFAOYSA-N 298.386 3.817 30 20 CHED C=CCC1(C(=O)Nc2c(F)ccnc2F)CCCCC1 1262085681 GGYXFFVIRZSBKJ-UHFFFAOYSA-N 280.318 3.825 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 1344670742 ZUUIGXAMKVCTFC-ZDUSSCGKSA-N 290.322 3.656 30 20 CHED CC1(C)CC(CNC(=O)c2cccc(C#N)n2)CC(C)(C)C1 1278661051 DKACONCEIBTWSM-UHFFFAOYSA-N 299.418 3.536 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 1351075778 BITZTFLUKYWMHU-HZSPNIEDSA-N 287.359 3.975 30 20 CHED C=C(C)CCC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 1357991642 HYNPLPNVKDQEQF-HNNXBMFYSA-N 299.374 3.709 30 20 CHED C=C(CC)C(=O)NCc1cc(Cl)cc(Cl)c1 1350065578 BTVPVNFVOKOORQ-UHFFFAOYSA-N 258.148 3.576 30 20 CHED CC(C)Oc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1 1436644432 XCIULHDQONOXRC-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CO[C@@H](COc1c(C#N)cnc2ccc(C)cc12)CC(C)C 1459098000 BHJCTGZUHDEOKT-OAHLLOKOSA-N 298.386 3.855 30 20 CHED C=C(CC(C)C)C(=O)N1CC(C)(C)[C@H]1c1cccnc1 1520191015 HZSSFXLZUISQJQ-OAHLLOKOSA-N 272.392 3.593 30 20 CHED N#Cc1nc(=N[C@H](CC2CCCC2)c2ccccc2)cc[nH]1 1458268638 PJUJVKHKCAQAAR-MRXNPFEDSA-N 292.386 3.504 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1Cl 1535479784 ZXBLCTPKDDQBKA-DGCLKSJQSA-N 277.751 3.888 30 20 CHED C=CCCC[C@H](Nc1cnc(C(=O)O)cn1)c1ccccc1 1602872036 FTXFBEBOHKHJSU-AWEZNQCLSA-N 297.358 3.684 30 20 CHED CCCC[C@@H](Sc1cc(C)cc(F)c1C#N)C(=O)O 1605251161 PLDOYZOODDSJPJ-GFCCVEGCSA-N 281.352 3.741 30 20 CHED CC[C@@H](C)[C@@H](C)N(Cc1ccc(C#N)cc1OC)C1CC1 1473156564 WUPNDUYJVQTWDA-ZIAGYGMSSA-N 286.419 3.966 30 20 CHED N#CC1(COc2cccc3cc(C(=O)O)ccc23)CCC1 1610619199 GCRIJRGTSOSMPH-UHFFFAOYSA-N 281.311 3.611 30 20 CHED CC(C)[C@H](CN1CCC[C@H](C#N)C1)c1ccccc1 1621519764 ZWAYDTBFUBCRKO-WBVHZDCISA-N 256.393 3.662 30 20 CHED C#CCCCCC(=O)Nc1ccc(OCC)cc1C 119659287 GWPLBGUPARTCKF-UHFFFAOYSA-N 259.349 3.526 30 20 CHED CC(C)C(CNCc1ccc(C#N)cc1F)C(C)C 229555571 IFFCKVWMADUKKO-UHFFFAOYSA-N 262.372 3.715 30 20 CHED CCC[C@H]1CN([C@H](C)CCC#N)CCN1Cc1ccccc1 1642391937 KCUMCHOVSSXHDW-MJGOQNOKSA-N 299.462 3.665 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C2 1657571204 SXFOLWZNIZADHZ-YEWWUXTCSA-N 297.402 3.895 30 20 CHED Cc1ccnc(N2CC3(CCCC3)[C@H]2C(C)C)c1C#N 1655564591 LCKBUWCMQHDIJA-OAHLLOKOSA-N 269.392 3.667 30 20 CHED CC(C)(C#N)CCCNc1cccc(C(=O)O)c1Cl 1589554886 TZMURAZSHGOQFY-UHFFFAOYSA-N 280.755 3.780 30 20 CHED COc1ccccc1CSc1nc(C#N)c(Cl)s1 1655157449 UFECHRZEBKVUTK-UHFFFAOYSA-N 296.804 3.969 30 20 CHED N#CCc1cccc(Nc2cc(-c3ccccc3)ncn2)c1 1655483823 IOORCLFALPRMBD-UHFFFAOYSA-N 286.338 3.953 30 20 CHED Cc1ccc2oc(CNC(=O)c3cccc(C#N)c3)cc2c1 1586383612 TYLKKQDLJVDSLX-UHFFFAOYSA-N 290.322 3.543 30 20 CHED CO[C@@]1(C)C[C@@H](NCc2ccc(Cl)cc2C#N)C1(C)C 1654484033 AEPVWQYYJFPVFM-ZBFHGGJFSA-N 292.810 3.505 30 20 CHED CC(C)(C)c1ccc(C(=O)/C=C\c2c[nH]c(C(=O)O)c2)cc1 1590472381 OASPVVVXLSSALF-WTKPLQERSA-N 297.354 3.907 30 20 CHED CC[C@H](NCc1ccc(C#N)c(C)c1)[C@@H]1CC1(C)C 1662686997 XPJFZIQVSXRGLL-HOTGVXAUSA-N 256.393 3.781 30 20 CHED Cc1cccc(N(C)C(=O)Nc2cc(C#N)ccc2C)c1 1675079940 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CHED CCC(C)(C)N(CCC#N)C(=O)Cc1ccc(Cl)s1 193897969 AQHSANQPDFVDJT-UHFFFAOYSA-N 298.839 3.875 30 20 CHED C=CC[C@H](C)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 512661421 SCWCSYFAGCYADZ-MTFMMBMASA-N 298.474 3.841 30 20 CHED C=C[C@@H]1OCCC[C@H]1c1nc([C@H]2CCCC[C@H]2C)no1 424351426 WRRDWYNEAOHSAO-RQJABVFESA-N 276.380 3.812 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc(-c3ccn[nH]3)c2)C1 193586429 FBGNNOFXHFMFMV-OCCSQVGLSA-N 266.348 3.571 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccncc1F 338015787 VXMUFCPJMXZVDV-NEPJUHHUSA-N 269.323 3.504 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[C@H](C)C1 428955632 WADPIINAZATBIR-IHRRRGAJSA-N 252.402 3.561 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N1CCc2c(C#N)cccc21 421658146 ROPPYKAJERDHLR-CJNGLKHVSA-N 282.387 3.664 30 20 CHED C=CCN(C)C(=O)Nc1cccc(O[C@@H](C)CC)c1 429376339 ZQFLEHSQRGJLBB-LBPRGKRZSA-N 262.353 3.514 30 20 CHED Cc1cc(S[C@@H](C)c2csnn2)ccc1C#N 335472236 UEQDOLQDQGEXGX-VIFPVBQESA-N 261.375 3.572 30 20 CHED CC(C)N(C)c1ccccc1NC(=O)c1ccc(C#N)cc1 339206050 WRYFGBMCHRCLES-UHFFFAOYSA-N 293.370 3.655 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCC(C)(C)CCC#N 513141987 XHMQUBRSZYZMFC-KGLIPLIRSA-N 279.428 3.536 30 20 CHED C=CCC[C@H](N[C@@H](COC)C1CC1)c1ccccc1 90580615 RCUGBBCJZMZBTJ-IRXDYDNUSA-N 259.393 3.709 30 20 CHED CCOc1ccccc1NC(=O)c1cccc(C#N)c1C 337765028 RTVWDPKUIVRQJB-UHFFFAOYSA-N 280.327 3.518 30 20 CHED C=CCCCCCN(C)c1nnc(C2CC2)n1CC=C 337893612 BLJCCIDDRHELGG-UHFFFAOYSA-N 274.412 3.524 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC=C(c3ccc(F)cc3)CC2)C1 336630904 QTTYNQBWYYMNCS-CXAGYDPISA-N 270.351 3.607 30 20 CHED CCOc1ccc2c(c1)CCN(c1cccc(F)c1C#N)C2 433513888 WAQBBILCFJJFCP-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CC(C)SCc1ccc(C#N)cc1OC(F)F 439537717 TXNVSOSZLXWLKI-UHFFFAOYSA-N 257.305 3.801 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1scnc1C 92504578 HDVZGKRZRLXTGV-UHFFFAOYSA-N 283.400 3.511 30 20 CHED Cc1cccc(/C(O)=N/[C@@H]2CCO[C@H](CC(C)C)C2)c1O 331236816 MUBPMHPCJHFIDU-ZIAGYGMSSA-N 291.391 3.599 30 20 CHED CC(C)CC[C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 435049359 FZTRNDOJSCAGDM-CQSZACIVSA-N 284.403 3.531 30 20 CHED C=C(C)COc1cc(CN[C@@H]2C=CCCC2)ccc1OC 237178260 IPYPBBREGJVTNJ-MRXNPFEDSA-N 287.403 3.848 30 20 CHED CC[C@H](C)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 439953783 YBZNVLUREAEKMC-LBPRGKRZSA-N 285.309 3.667 30 20 CHED C[C@]1(CNc2ncccc2C#N)C[C@@H]1c1ccccc1 338737923 FOVSHPFTFFUAQN-NVXWUHKLSA-N 263.344 3.559 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)NCCCC1CCCC1 433221775 VNPBVROVFFJJBY-SFHVURJKSA-N 298.430 3.846 30 20 CHED CCCCN(C(=O)c1cc(C#N)oc1C)[C@@H](C)CC 435686584 WKRJBRCZSGKJFQ-NSHDSACASA-N 262.353 3.501 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ncc(C(C)(C)C)s1 439432049 PLHNZBIMXMNQSB-JTQLQIEISA-N 281.425 3.917 30 20 CHED C[C@@H]1CCN(C(=O)c2sccc2C#N)[C@@H]2CCCC[C@@H]12 522681508 DYLCOXNSRJPYCP-KWCYVHTRSA-N 288.416 3.661 30 20 CHED C=CCCC1(C(=O)Nc2cncc3ccccc23)CC1 526008881 OJNJRWCCTKQHNJ-UHFFFAOYSA-N 266.344 3.920 30 20 CHED C=CCCO[C@H](C)C(=O)N(CCC)Cc1ccc(F)cc1 346280064 RAZOKBGWHKDXOE-CQSZACIVSA-N 293.382 3.546 30 20 CHED C=CCn1cccc1-c1nc([C@H](C)C(C)(C)C)no1 346583955 QFZMYEATKLGFLR-NSHDSACASA-N 259.353 3.874 30 20 CHED Cc1ccccc1NCc1nnc(-c2cccc(C#N)c2)o1 349382825 UJBBWTARNTZXIY-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=CCOc1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1 343075130 FSOCEWLAJLUFHN-UHFFFAOYSA-N 295.382 3.832 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](C)C[C@H]1c1ccco1 602483465 RBIRGJSXGNPDRX-ILXRZTDVSA-N 260.381 3.992 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(OC3CCCC3)nc2)C1 520494294 XTGNMASVLHAWHN-CHWSQXEVSA-N 271.364 3.507 30 20 CHED CCCCN(CC)Cc1ccc(C#N)cc1OC(F)F 437422032 YTJKNXMLQHNSDK-UHFFFAOYSA-N 282.334 3.782 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(F)cc2)c(C(C)(C)C)n1 255069970 OVHGVMURYWTEEH-YFHOEESVSA-N 286.350 3.753 30 20 CHED N#CC1CCC(CNC(=O)Nc2cscc2Cl)CC1 603169086 LNNYNVKWTZICLY-UHFFFAOYSA-N 297.811 3.853 30 20 CHED C[C@@H](CC(=O)N(C)c1ccc(C#N)cc1F)c1ccccc1 609216980 ZAEVCHUKIUCPFW-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED COc1ccccc1C=NOCc1ccc(C)cc1 255265334 DVDNLZCGLDOQAN-UHFFFAOYSA-N 255.317 3.554 30 20 CHED C=CCC[C@@H](NCC[C@H]1CCOC1)c1ccccc1 346860120 INJTUCPYHNPRRF-DOTOQJQBSA-N 259.393 3.710 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CNc1cccc(Cl)c1 609622215 IJPBSKBXLJSRSN-UHFFFAOYSA-N 299.761 3.571 30 20 CHED CC(C)[C@H](Nc1cc(C#N)ccn1)c1ccc(F)cc1 355522882 MWSRPAXQQYDRGL-INIZCTEOSA-N 269.323 3.902 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1cccc(C#N)n1 354581273 RQSSBCIVRJWGQF-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1Cc2ccccc21 353813550 XRCLLYHREQLEII-QGZVFWFLSA-N 295.357 3.680 30 20 CHED CC(C)(NCc1cccc(C#N)n1)c1cccc(Cl)c1 602555358 LSQWIXBNSZQGQW-UHFFFAOYSA-N 285.778 3.632 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2Cl)Cc2ccccc21 535360494 RIAIWYSBXZVUTJ-UHFFFAOYSA-N 297.789 3.904 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCCN(C2CCCCC2)C1=O 443097101 UOZULHWYZNDUPS-RDJZCZTQSA-N 292.467 3.645 30 20 CHED C=CCOc1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)cc1 537568680 XGZDHZGBKJVFED-MRXNPFEDSA-N 289.419 3.687 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCCN(C2CCCCC2)C1=O 443090340 BOYWMOHSBMKFBJ-YQQAZPJKSA-N 292.467 3.500 30 20 CHED C=C[C@H](CC(=O)Nc1cnc(C(C)C)nc1)c1ccccc1 358445527 OGGYJLXVLLMUNK-CQSZACIVSA-N 295.386 3.898 30 20 CHED CC1(C)C[C@@H](NCC#Cc2cccc(Cl)c2)C(C)(C)O1 444631635 AMMRRXRZVLWLQJ-OAHLLOKOSA-N 291.822 3.627 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@@H]1CCCC[C@@H]1C 533876728 QIKJVSHQRMSSNO-OFQRWUPVSA-N 264.413 3.647 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 359442336 UNIDHCFVFAUZRB-CABCVRRESA-N 276.424 3.767 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccn(C)c1C1CCC1 352525783 IGUIVUKBPAWVOL-UHFFFAOYSA-N 274.408 3.625 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ncccc2F)CCCC1 614218973 WBEOLHGJVXKYGT-GFCCVEGCSA-N 276.355 3.534 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)N1CCC[C@@](C)(C#N)C1 618469030 VQYPCICFCMSDAD-YOEHRIQHSA-N 291.439 3.681 30 20 CHED CCN(Cc1ccc(C#N)cc1Br)C1CCC1 350948975 JPVPGFPTLPFALB-UHFFFAOYSA-N 293.208 3.695 30 20 CHED Cc1ccc(C#N)cc1NCc1cnc([C@@H]2CCCO2)s1 354856839 VSBNMDUPUORSMV-HNNXBMFYSA-N 299.399 3.787 30 20 CHED CCc1nc(CN(C)[C@@H](C)c2cccc(C#N)c2)cs1 442690296 JGBIEFHQQNKDPS-LBPRGKRZSA-N 285.416 3.770 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc(C)c(Cl)cc1C 354585658 NSCUAQUSHVPIFY-JTQLQIEISA-N 278.783 3.579 30 20 CHED C=CCCCC[C@@H](C)NCc1cc2ccccc2n(C)c1=O 449334993 GYFPWSSJENMNRG-OAHLLOKOSA-N 298.430 3.763 30 20 CHED C=CCCNC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 617615719 YINAMSKCEZNLJA-SNVBAGLBSA-N 286.202 3.864 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)oc1C)C1CCCCC1 619551232 LJTKOKBILRVEKL-HNNXBMFYSA-N 274.364 3.548 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)C(C)(F)F 455248547 WIEPYRIMWHDVPF-CYBMUJFWSA-N 296.361 3.818 30 20 CHED Cc1cc(NCC2(CC#N)CC2)c2cccc(F)c2n1 362366912 YIIWHHJNWBRMQO-UHFFFAOYSA-N 269.323 3.788 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccc(F)cc1Cl 454524095 PHXGDDXAACHVPU-SNVBAGLBSA-N 284.762 3.806 30 20 CHED C[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)C1CCC1 457828099 XQTXKSMEOZVJBQ-JTQLQIEISA-N 276.767 3.781 30 20 CHED CCc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)ccn1 450416706 HLCIKGOFNWOWNS-UHFFFAOYSA-N 289.382 3.809 30 20 CHED C=C(C)CCNC(=O)c1ccccc1COC(C)(C)C 452718028 NVADJTGKWBRUNT-UHFFFAOYSA-N 275.392 3.698 30 20 CHED C#CC[C@@H](NCc1cnc(CC)s1)c1ccccc1 270200469 MDIVCXWDWYONAK-OAHLLOKOSA-N 270.401 3.560 30 20 CHED CC[C@@H](CC#N)NC(=O)C(CC(C)C)CC(C)C 450624749 PCMMJIPEOVBMRM-AWEZNQCLSA-N 252.402 3.503 30 20 CHED Cc1nc(CN[C@H](C)CC#N)oc1-c1ccc(Cl)cc1 610755630 RQGZPURWTAIYDG-SNVBAGLBSA-N 289.766 3.695 30 20 CHED N#C[C@@H]1CCC[C@H](NC2(Cc3ccc(F)cc3)CC2)C1 453333193 BEJXTNBPWRPLOT-ZBFHGGJFSA-N 272.367 3.573 30 20 CHED Cc1ccccc1C(C)(C)CNCc1ccc(C#N)s1 540596951 ZMLRTTYAPYOKSO-UHFFFAOYSA-N 284.428 3.996 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CCSc2ccc(Cl)cc21 453355297 LDGVDUQRNFDCDS-MJBXVCDLSA-N 295.835 3.810 30 20 CHED C=CCOCCN[C@@H](Cc1ccccc1)c1cccs1 549931820 KUERVBODKNMCMX-INIZCTEOSA-N 287.428 3.824 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)c1cccc(O)c1 277674416 FYEROQIPPKEJQM-ZDUSSCGKSA-N 260.381 3.763 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cccc(Cl)c1F 453346098 GRTHGIXPGKECDW-MCIONIFRSA-N 283.774 3.863 30 20 CHED CC[C@@H](N[C@H]1CCc2c(O)cccc21)c1ccc(C#N)cc1 278358921 BHNHSVPQDCCLRH-MSOLQXFVSA-N 292.382 3.992 30 20 CHED Cc1nc2ccccc2c(N2CCC(C#N)CC2)c1C 273327895 LMAPITSNDDBTEF-UHFFFAOYSA-N 265.360 3.592 30 20 CHED CC(C)(C)[C@H]1C[C@H](NCc2cccc(C#N)c2)CS1 277271318 PTHOFAWHXZLSQI-LSDHHAIUSA-N 274.433 3.568 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCc2ccccc2CC1 454900880 AVZOZIUVBGHVHT-QGZVFWFLSA-N 286.419 3.542 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1ccc(C)cc1C)OCC 270051563 RGJSNXMWIWAOPL-MRXNPFEDSA-N 275.392 3.638 30 20 CHED C=CCN(CC=C)C(=O)NC[C@H](c1ccccc1)C1CC1 458797961 SCCXYESDEYUBGN-QGZVFWFLSA-N 284.403 3.564 30 20 CHED CC#CCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 546630821 HBYSMYRFCUBIHP-HRCADAONSA-N 261.409 3.607 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1c1ccc(C#N)nc1 543994691 CNRNBIXKDNVCNK-ZBFHGGJFSA-N 277.371 3.726 30 20 CHED C=CCC[C@@H](NCCOc1ccc(C)cc1)C1CC1 540176937 UYPGRPBGDKBBEE-QGZVFWFLSA-N 259.393 3.708 30 20 CHED C[C@H](N[C@H](C)CCc1ccco1)c1ccc(OCC#N)cc1 271523807 VJXQJXVPFSKKLR-CABCVRRESA-N 298.386 3.854 30 20 CHED C[C@@H](NC(=O)N1CC2(CCCCC2)C1)c1ccc(C#N)cc1 274115808 ZVVJSZQXCOZJPA-CQSZACIVSA-N 297.402 3.595 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cccc(COC)c2)no1 273704357 GXNGEKXWWYDBTN-LBPRGKRZSA-N 288.347 3.537 30 20 CHED Cc1cccc(C)c1OC[C@H](NCCCC#N)C(C)(C)C 540519273 IOIWFVLRJIZPGC-INIZCTEOSA-N 288.435 3.990 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccccc2F)no1 273715641 LSDPARBYUIPRTK-JTQLQIEISA-N 262.284 3.529 30 20 CHED CC(C)(C#N)CCSCCC(=O)Nc1ccccc1F 289501243 ZJEDMSKMPUJFAH-UHFFFAOYSA-N 294.395 3.827 30 20 CHED C=CCC[C@H](C(=O)NCC(=O)C1CCCC1)c1ccccc1 628991896 CBYROCCVUUYXJH-KRWDZBQOSA-N 299.414 3.612 30 20 CHED C=CC[C@@H](C(=O)NC[C@H]1CCC(F)(F)C1)c1ccccc1 280428950 BBGAKAZFDAGGEF-DZGCQCFKSA-N 293.357 3.898 30 20 CHED CC#CCCSc1nc2ccccc2n1C(F)F 462409419 PPOIKDVFGZKYIA-UHFFFAOYSA-N 266.316 3.937 30 20 CHED C=CCCCCCCNC(=O)c1c(CC)nn(C)c1Cl 287097980 PDZDVMJJUCCSEB-UHFFFAOYSA-N 297.830 3.502 30 20 CHED C=C[C@H](C)NC(=O)N1CCC(CCc2ccccc2)CC1 464759614 ZNOZMGDCOPWACU-HNNXBMFYSA-N 286.419 3.615 30 20 CHED C=C[C@](C)(CC)c1nc(-c2coc(CCC)n2)no1 288987758 CGZVJFDWOSMDSE-CQSZACIVSA-N 261.325 3.531 30 20 CHED Cc1cc(NC[C@H](C)Cc2cccs2)cc(C#N)n1 557585404 KBGRURFFVKKHHB-LLVKDONJSA-N 271.389 3.614 30 20 CHED CC[C@H]1CCCCN1CCNc1c(Cl)cccc1C#N 462833559 JWRDRBXYVKPUMK-AWEZNQCLSA-N 291.826 3.888 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(F)c(F)c1F 281381343 OKNGWWZINZLYNR-MRVPVSSYSA-N 272.270 3.580 30 20 CHED C[C@H](C(=O)Nc1ccc2c(c1)CCC2)c1cccc(C#N)c1 461803660 QWMCKEAJDBGWBW-ZDUSSCGKSA-N 290.366 3.789 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(-c2ccccc2)cnc1C 285910187 YZUYDSROGLQBAQ-SFHVURJKSA-N 293.370 3.935 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cccc(C2CCC2)c1 281056007 SYBGPZMFQYYUIV-QGZVFWFLSA-N 270.376 3.622 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Cl)c(Cl)c1 464902876 KRTGKAIERMDJOF-ZETCQYMHSA-N 259.136 3.689 30 20 CHED CC[C@@H](C)CCC(=O)Nc1ncccc1OCCCC#N 285442709 XJBFNMOZKIABJE-CYBMUJFWSA-N 289.379 3.529 30 20 CHED C[C@H]1CC[C@H](c2ccccc2)N(C(=O)NCCCCC#N)C1 287380183 LHVBXTBVXFAUMO-DOTOQJQBSA-N 299.418 3.863 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](OC)[C@@H](C)CC)c1 475612317 NVHRILRQZYJSHZ-BBRMVZONSA-N 291.391 3.641 30 20 CHED Cc1c(CN[C@@H]2CCC[C@@H](C#N)C2)n(C)c2ccccc12 475199948 XUOGKLAVJASLSR-HUUCEWRRSA-N 281.403 3.659 30 20 CHED C=CCCCCNC(=O)c1ccc(OC)cc1OC(C)C 474192396 SXSHKBKZIHWDBZ-UHFFFAOYSA-N 291.391 3.569 30 20 CHED CCCCn1nc(C)c(C=NNCC2CCCC2)c1Cl 808006419 VVDLQUSRQYKEHC-UHFFFAOYSA-N 296.846 3.759 30 20 CHED CCc1ccccc1C(=O)N[C@](C)(C#N)C1CCCCC1 550748358 RQSCNQZNIHXCQQ-GOSISDBHSA-N 284.403 3.841 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 473934070 TXFUHHZFCXAAGR-NSHDSACASA-N 290.338 3.850 30 20 CHED N#Cc1ccc(NCc2ccnc(N3CCCCC3)c2)cc1 298682107 AAJIGMOUXYZNOC-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C=CCC(C)(C)C(=O)NCCCCc1ccccc1 644787384 WDLDDQRWXWTSRD-UHFFFAOYSA-N 259.393 3.728 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 476160878 REBZQCWLJZNFIY-RRFJBIMHSA-N 261.409 3.818 30 20 CHED C=CCCCCNC(=O)C(C)(C)c1cccc(F)c1 471706052 OAVJXVOYWYATGQ-UHFFFAOYSA-N 263.356 3.576 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(CCC#N)Cc1ccco1 294379886 BUOAOSKMOLSTNC-GOEBONIOSA-N 288.391 3.738 30 20 CHED CC(C)C[C@@H]1CCCC(=NN[C@H]2CCSC2)C1 807999729 ABYQBQPRNWSXCR-JSGCOSHPSA-N 254.443 3.674 30 20 CHED C[C@H]1CC(=NNc2cccc(F)n2)c2ccccc21 807987065 FGBSOKIUAKYZGV-JTQLQIEISA-N 255.296 3.544 30 20 CHED Cc1ccc(C(F)(F)C(=O)NCC(C)(C)CCC#N)cc1 807723122 VWTHILJXMAXIDT-UHFFFAOYSA-N 294.345 3.533 30 20 CHED CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCC[C@H]1C(C)(C)C 562811932 OGLIWERPRMKWHT-HZPDHXFCSA-N 273.424 3.543 30 20 CHED C=CC(C)(C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 296018450 YXOGOWWDCLJSMO-OCCSQVGLSA-N 275.367 3.742 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(NCCC)cc1 296761804 PGQSNBSOPMCPEN-UHFFFAOYSA-N 274.408 3.727 30 20 CHED CC(C)OCCNc1ccc(Oc2ccnc(C#N)c2)cc1 290531020 HHNRARKPRVSSIX-UHFFFAOYSA-N 297.358 3.582 30 20 CHED C#C[C@H](C)NC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 806432071 FMLLXAFEWLJBKT-ZETCQYMHSA-N 290.672 3.502 30 20 CHED C=CCCc1noc([C@@H]2C[C@H]2c2c(F)cccc2F)n1 297431651 VJLRAGBWRFBSHX-NXEZZACHSA-N 276.286 3.738 30 20 CHED C=Cc1ccc(C(=O)N(CC)c2ccc(C#N)cc2)cc1 560078421 WURCSCDCWDSGHR-UHFFFAOYSA-N 276.339 3.868 30 20 CHED C#Cc1ccc(CN[C@@H](CC)c2ccccc2OC)cc1 809605818 OPWJBWKEBFVAAE-SFHVURJKSA-N 279.383 3.917 30 20 CHED C#CCOc1ccccc1OCCSC(C)(C)C 802728530 FKUXPXDVYIVHFL-UHFFFAOYSA-N 264.390 3.609 30 20 CHED C=CCN1CCC(N[C@H]2CCc3ccc(Cl)cc32)CC1 479618883 XDZBMDHUAJASBE-KRWDZBQOSA-N 290.838 3.567 30 20 CHED C=CCCCCCCCCNC(=O)c1ccc(C)nc1O 807843275 IBFAYLJBOCLAKJ-UHFFFAOYSA-N 290.407 3.742 30 20 CHED N#Cc1ccc(Cl)c(C(=O)O[C@H]2COc3ccccc32)c1 808609563 COTZIRAONOHKNJ-HNNXBMFYSA-N 299.713 3.502 30 20 CHED Cc1csc(NC(=O)N(C)C(C2CC2)C2CC2)c1C#N 569658075 BULHFGNRFQKJTK-UHFFFAOYSA-N 289.404 3.581 30 20 CHED CC[C@@H](CN(CC)CC1(C#N)CC1)c1ccccc1 481752411 CEYRTMPZTUJAIU-HNNXBMFYSA-N 256.393 3.806 30 20 CHED Cl/C=C\CON=Cc1ccc(N2CCCCC2)cc1 811670364 QNWFDDBPWXRHST-ATKYUWIWSA-N 278.783 3.780 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2cccnc2)cc1 810194420 BGOHIUWEEKUDIN-HJWRWDBZSA-N 289.338 3.676 30 20 CHED C[C@H](NC[C@@H](C)C(F)(F)F)c1ccc(C#N)c(F)c1 480665632 OSDDCLOUCPBLOG-BDAKNGLRSA-N 274.261 3.546 30 20 CHED C=CC[C@H](C)NCc1nc(C(C)C)n2ccccc12 565080181 DWAUVLYHWGERBA-ZDUSSCGKSA-N 257.381 3.512 30 20 CHED Cl/C=C\CON=C1CCC[C@@H](c2cccnc2)C1 811672064 PCAMBFNUFKRBRT-IFPQZBLHSA-N 264.756 3.864 30 20 CHED C=CCN(C(=O)COc1c(C)cccc1C)c1ccccc1 484229247 FHBCSDYJXBYEIJ-UHFFFAOYSA-N 295.382 3.901 30 20 CHED N#Cc1c(F)cccc1/C=C1\CCc2ccccc2C1=O 811685638 YJOGPXCSSKOHRN-GXDHUFHOSA-N 277.298 3.910 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccc(F)c1C#N)C2 811692223 WPCTYKVVUBQBQG-QPEQYQDCSA-N 293.297 3.528 30 20 CHED CCOc1ccc(NN=C(C)c2ccccc2[N+](=O)[O-])cc1 814984256 MYKKUYXVKWBIBO-UHFFFAOYSA-N 299.330 3.830 30 20 CHED C(=NOCc1ccccc1)c1cccc2cccnc12 818280045 WMSQTMTZRRPXGV-UHFFFAOYSA-N 262.312 3.786 30 20 CHED C=CCC(F)(F)C(=O)NCC[C@H]1CCCC[C@H]1C 815616478 PMYMKJARHIHBQT-VXGBXAGGSA-N 259.340 3.530 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCC[C@H]1C 487323944 SNWOXLCKTSXCHD-DGCLKSJQSA-N 276.405 3.661 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 579112146 ARKBIRKQHYKDMJ-XJKSGUPXSA-N 288.366 3.899 30 20 CHED Fc1ccccc1NN=Cc1cnn(Cc2ccccc2)c1 812460416 RTHWCRRAKBLFJF-UHFFFAOYSA-N 294.333 3.517 30 20 CHED C=C(C)CCNC(=O)C1(c2cccc(Cl)c2)CCC1 650928599 KYMCTHDPPAGANH-UHFFFAOYSA-N 277.795 3.844 30 20 CHED CC(C)OCCON=C1CC[C@H](Cc2ccccc2)C1 814936769 IXGWOMMKVZJFAK-MRXNPFEDSA-N 275.392 3.827 30 20 CHED Cc1nc(N2CCCC[C@H]2c2ccccc2)ccc1C#N 487741251 MVSBJPQJVXLREP-KRWDZBQOSA-N 277.371 3.993 30 20 CHED CC(=NOC/C=C\Cl)c1cccc(Br)c1 811668041 JYWNURITBKOXKW-NNKWFWPSSA-N 288.572 3.942 30 20 CHED C[C@@H](CC(=O)NCCc1cccc(C#N)c1)C1CCCCC1 573389982 GNPMZPKTPBINQF-HNNXBMFYSA-N 298.430 3.823 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)C1CC1 813220193 FVZUKTZJGKBLAC-LZGFCCKTSA-N 294.276 3.633 30 20 CHED CC(=NOC/C=C\Cl)c1c(C)nn(C(C)C)c1C 811669810 JKAFEYYVFIPMTA-GRJIMMSFSA-N 269.776 3.574 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnc2ccccc2c1C 488879018 KXMJFNMAUAJBOF-AWEZNQCLSA-N 280.371 3.724 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1ccc(SCC)cc1 728792726 SXTLGJZPRUQWKA-GFCCVEGCSA-N 294.489 3.900 30 20 CHED COc1ccc(F)cc1/C=C1\CCCC(C)(C)C1=O 812244157 ZSHLXCTYVCJJSQ-PKNBQFBNSA-N 262.324 3.997 30 20 CHED N#Cc1c(F)cccc1/C=C1\Cc2c(F)ccc(F)c2C1=O 811694325 VDIUOTTURBFAMP-UXBLZVDNSA-N 299.251 3.798 30 20 CHED CCn1c(C)cc(C=NNCCCOc2ccccc2)c1C 729149521 NIUURHBRCUONAW-UHFFFAOYSA-N 299.418 3.517 30 20 CHED Oc1cc(C=NNc2ccccc2)cc(C(F)(F)F)c1 811628776 LUPUWFGCSHYXBU-UHFFFAOYSA-N 280.249 3.857 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1 819951978 ITHSNMJQDPHLIQ-AGIUHOORSA-N 282.343 3.830 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCOCCCC 483853491 HQTUCLKLYBHNGZ-UHFFFAOYSA-N 296.455 3.581 30 20 CHED C=CCCCS(=O)(=O)N[C@@H](CCC=C)c1ccccc1 489690413 VZKBZTXNXIKGLE-INIZCTEOSA-N 293.432 3.580 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 483553546 CDPDSWVHVSTXBH-KRWDZBQOSA-N 294.373 3.995 30 20 CHED C=CCC(F)(F)c1nc(-c2ccccc2CC)no1 571349085 BLVJHGNBGPSLCV-UHFFFAOYSA-N 264.275 3.967 30 20 CHED C=CCC1(C(=O)N[C@H](C)CCSC)CCCCC1 825941318 UAYJYEQTLKVAPI-CYBMUJFWSA-N 269.454 3.771 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@H](F)C1 570405856 ZSPFKZQQKTUSQV-LBPRGKRZSA-N 279.380 3.539 30 20 CHED C=CC[C@H](C(=O)NCC(CC)(CC)OC)c1ccccc1 579509296 FFIIWDHZFCUEMF-INIZCTEOSA-N 289.419 3.668 30 20 CHED Cc1ncccc1C=NNCc1ccc(Cl)cc1Cl 728781207 OEFVIYNLJJYEMP-UHFFFAOYSA-N 294.185 3.821 30 20 CHED CON=C1CCCc2nc(-c3ccc(C)cc3)sc21 727651372 VZABCIORSOPDDE-UHFFFAOYSA-N 272.373 3.805 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2CCc3c(C)cccc32)c1 729641129 CMYOTRLUKSOPAN-WAKXPGHKSA-N 281.355 3.816 30 20 CHED C#C[C@H](C)N(C)C(=O)CCCc1cccc(C(F)(F)F)c1 491778101 HOWYMZYEBFNDMR-LBPRGKRZSA-N 297.320 3.508 30 20 CHED C=C[C@@H](CC)CC(=O)NCCC[C@H]1CC1(Cl)Cl 824074121 CGPIOHPQFOSGDF-QWRGUYRKSA-N 278.223 3.679 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Cn1ccc2ccccc21 580909423 SXUQECSRYDIISG-ZBFHGGJFSA-N 284.403 3.748 30 20 CHED N#CCC[C@@H](C#N)CNc1cccc2ccsc12 583259160 WACLAZUFSGEDNS-NSHDSACASA-N 255.346 3.757 30 20 CHED N#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccn1 826715928 SZCHUZHJNBJGHV-ARFHVFGLSA-N 297.402 3.545 30 20 CHED CCOc1ccccc1CSCc1cc(C#N)ccn1 901740390 HDZBGKLGPVJNRY-UHFFFAOYSA-N 284.384 3.785 30 20 CHED C=C(C)COc1cccc(NCc2nc(C)c(C)[nH]2)c1 583333338 LWVOZWPLNGMGCK-UHFFFAOYSA-N 271.364 3.594 30 20 CHED Cc1ccc(C(=O)OCCCCC2(C#N)CCC2)o1 908692382 SWYCQKWGEQYKHD-UHFFFAOYSA-N 261.321 3.609 30 20 CHED CC(C)(C/N=C/c1cccc(O)c1O)c1cccs1 733904225 XMSKOLBWRCBSRN-CXUHLZMHSA-N 275.373 3.556 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](CCC(=O)O)c1ccccc1 901654231 XKBGOTIDVFUXCG-OFQRWUPVSA-N 275.392 3.783 30 20 CHED C#CCOc1ccc(NC(=O)Cc2ccccc2Cl)cc1 730983085 UHSAGHVZYDZVKS-UHFFFAOYSA-N 299.757 3.533 30 20 CHED N#Cc1ccc(CNCc2ccc3c(c2)CCCC3)c(F)c1 589936841 BZPPWYSKEHZZOW-UHFFFAOYSA-N 294.373 3.866 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)OCC1(C#N)CCC1 588478005 RPCJCDGSRNPDQQ-XFXZXTDPSA-N 289.762 3.980 30 20 CHED Clc1ccc(CNN=C2CCOC3(CCC3)C2)cc1 834961216 IDKPQSIYSYMABT-UHFFFAOYSA-N 278.783 3.519 30 20 CHED Cc1ccccc1CCC(=O)O[C@H]1CCC[C@@H](C#N)C1 839051576 NXGHINJFHDVNLH-ZBFHGGJFSA-N 271.360 3.553 30 20 CHED C#CCCCCNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 830036004 UYPVRWLORFBKQP-QZTJIDSGSA-N 283.415 3.565 30 20 CHED C=C(C)COC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 839163034 MQFYTPQIWDXQSY-SOUVJXGZSA-N 268.397 3.583 30 20 CHED CC(C)(C)C#CC(=O)N(Cc1ccc(F)cc1F)C1CC1 837333993 DEBHRZAETFEBNK-UHFFFAOYSA-N 291.341 3.505 30 20 CHED O=C([C@@H]1[C@H]2CCCCCC[C@H]21)N(O)Cc1ccc(F)cc1 901376071 OSCOGSOJSZVHJD-ZSHCYNCHSA-N 291.366 3.760 30 20 CHED C=CC[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccncc1 834590351 UHMITFREVVNWNS-HZPDHXFCSA-N 280.371 3.682 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(N)cc1 739422615 WVCHTVJEMCNFJS-UHFFFAOYSA-N 294.280 3.519 30 20 CHED Cc1ccc(C)c(C=NN=c2cc[nH]c3ccccc23)c1 730146640 CMZLWFUJYZMPLI-UHFFFAOYSA-N 275.355 3.720 30 20 CHED CCS[C@H]1CCC[C@@H](NC(=O)CCCCCC#N)C1 588160484 WICRYNMWZUWBKR-KGLIPLIRSA-N 282.453 3.641 30 20 CHED CN(CCC#N)c1ccc(CN[C@@]2(C)CC=CCC2)cc1 839192428 RQKMHLUTLIFINQ-SFHVURJKSA-N 283.419 3.625 30 20 CHED COc1ccc(COCCON=Cc2ccc(C)cc2)cc1 731029754 GYWQYOHBBUWQDQ-UHFFFAOYSA-N 299.370 3.571 30 20 CHED CC(C)c1cnc(COC(=O)c2ccsc2C#N)s1 904337047 ZEOVEEIMWRAQNI-UHFFFAOYSA-N 292.385 3.557 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3cc(C#N)cc(C)n3)C2)cc1 588035785 ZIWUXVHRMNJSSK-MAUKXSAKSA-N 291.398 3.953 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(O[C@H](C)CC)cc1 736969518 RCTIYUPGCBABSB-LLVKDONJSA-N 282.771 3.738 30 20 CHED CC(=NNC(=S)Nc1ccccc1)c1ccccc1C 915922801 GPTKXKOUGWYCLP-UHFFFAOYSA-N 283.400 3.706 30 20 CHED CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 835038047 UCXRGCYSWMCMBQ-UONOGXRCSA-N 297.402 3.822 30 20 CHED CC(C)CNN=Cc1cnc(-c2ccccc2F)s1 834969979 ZXOJJARIWBFTBY-UHFFFAOYSA-N 277.368 3.529 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1cc(C)no1 747301327 QUCNYYFGEJEQKD-ZDUSSCGKSA-N 295.427 3.779 30 20 CHED Clc1ccccc1[C@@H]1CCCC1=NNc1ccncn1 835001126 KALHSAYSSIQPGR-LBPRGKRZSA-N 286.766 3.866 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 593477521 BUNANUOKHURBPF-BDAKNGLRSA-N 285.174 3.720 30 20 CHED CC(C)CCOc1ccc(NCCO[C@@H](C)C#N)c(F)c1 848665344 UQOSJERQJOUCSL-ZDUSSCGKSA-N 294.370 3.591 30 20 CHED CSc1cc(Cl)ccc1NC(=O)N(C)[C@H](C)CC#N 596977711 OTOFPLCEHTUKNN-SECBINFHSA-N 297.811 3.828 30 20 CHED Clc1ccc(NN=Cc2cccc3c2OCO3)cc1 915933353 UKXVIRXYWWFMKZ-UHFFFAOYSA-N 274.707 3.515 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cc(C#N)cs1)C2=O 748440083 GHXGHBYNVCDBGH-NTUHNPAUSA-N 265.337 3.751 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2C[C@H]2C2CCCCC2)c1 741465768 YFXDNYOPPKVKAA-KBQQKMGSSA-N 288.347 3.688 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 597026879 RXEPUFZJXSDTEZ-HNNXBMFYSA-N 276.424 3.888 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CCC[C@H](C)C2)c1 745005814 LDBMMCHNHNYECJ-JTQLQIEISA-N 293.411 3.987 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1cc(C)ccc1C 916288274 SGVOTQHURSLSAE-UHFFFAOYSA-N 274.755 3.583 30 20 CHED Cc1cccc(-c2nnc([C@H](C)SCCC#N)o2)c1 840211895 FSHHIMMICNDESB-NSHDSACASA-N 273.361 3.753 30 20 CHED CCCOc1cccc(C=NNc2ccc(C(=O)O)cc2)c1 917528975 JRLFXTSYRCAJGX-UHFFFAOYSA-N 298.342 3.620 30 20 CHED CCOc1ccc(O)c(/C=N\CCC2CC(F)(F)C2)c1 840711079 UXCHALXXGLXTFE-ZDLGFXPLSA-N 283.318 3.645 30 20 CHED C=CCOc1ccc(OC(=O)CCC(C)(C)C)cc1 742864203 MKKOYTYSFVOVHS-UHFFFAOYSA-N 262.349 3.983 30 20 CHED COCCc1cccc(-c2ccc(C)c(CC#N)c2)c1 592987363 ZBLJWUDMRWMKRR-UHFFFAOYSA-N 265.356 3.917 30 20 CHED C=CCCSCCNC(=O)[C@@H]1CCCc2sccc21 597968843 NHTPGPLGTKJIIY-CYBMUJFWSA-N 295.473 3.594 30 20 CHED C=C[C@H](C)ON=CC(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1 844621386 GUHZIBLXKOHTPP-ZFWWWQNUSA-N 290.363 3.650 30 20 CHED COc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1C 595106338 SMJAULOJQMSUMV-GOSISDBHSA-N 292.382 3.652 30 20 CHED CCCCCCCC(=O)N(C)C1Cc2ccccc2C1 919830018 COUGARBQVXLXEV-UHFFFAOYSA-N 273.420 3.973 30 20 CHED C=CCCCC(=O)Nc1cccc(N2CCCCC2)c1 748297775 WFJQHPJIUFINHR-UHFFFAOYSA-N 272.392 3.972 30 20 CHED CCCC[C@H](C(=O)N1CCC[C@@H](CC#N)C1)C(C)C 598747033 YWGQEFHSXHSCFA-GJZGRUSLSA-N 264.413 3.601 30 20 CHED C#CCCCN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 840727577 LAKRODXJHWLJOR-HOCLYGCPSA-N 261.796 3.979 30 20 CHED C[C@H](CC#N)OC(=O)C1(c2ccccc2Cl)CCC1 845467413 CEVJZMLUNYWXIN-LLVKDONJSA-N 277.751 3.607 30 20 CHED O=C1/C(=C\c2ccnn2CC2CC2)CCCc2ccccc21 849240769 VWPXICGRRAAOOR-VBKFSLOCSA-N 292.382 3.896 30 20 CHED C=CCCCOC(=O)[C@H](C)CCOc1ccccc1 745764898 CJPMYHHWZYJFJQ-CQSZACIVSA-N 262.349 3.601 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OC)c(C)c1)C2 747440712 QBRHBWBQPLNEEM-DHDCSXOGSA-N 294.350 3.835 30 20 CHED C=CCCNC(=S)Nc1c(C)cc(C)cc1Cl 849277806 KJWRMGYKCDMWAL-UHFFFAOYSA-N 268.813 3.819 30 20 CHED C=CCCCOC(=O)[C@@H]1CCCCN1Cc1ccccc1 741355307 VSKBSWOZCWOZEJ-KRWDZBQOSA-N 287.403 3.551 30 20 CHED CC1(C)C(=NNCc2ccccc2Cl)[C@H]2CCCO[C@H]21 743438637 NTNDJMOSYVWTFJ-IUODEOHRSA-N 292.810 3.621 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)C(=O)Nc1cccc(C)c1)C(C)(C)C 744028373 HMXXXKHNMIXPGC-VSKPTYQZSA-N 298.386 3.635 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2)nc1 747743101 DMOYGXGKUYBTQJ-OAHLLOKOSA-N 296.326 3.579 30 20 CHED C=CC[C@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccncc1 745827543 LLHLFLOUAWJCRE-GUYCJALGSA-N 299.418 3.671 30 20 CHED C=C(C)CNc1nnc(CSc2ccc(C)cc2)o1 849161164 AXTYXFBZIXJOHO-UHFFFAOYSA-N 275.377 3.658 30 20 CHED N#CC1(CSc2nnc(-c3ccccc3F)o2)CCC1 590711321 LUTCTAYGNNGZDX-UHFFFAOYSA-N 289.335 3.662 30 20 CHED CC(CCCCC#N)=NNc1ccc(F)c(F)c1F 841640868 OQFXLUDYNRWTMR-UHFFFAOYSA-N 269.270 3.976 30 20 CHED C=CCSCCN[C@@H](C)c1cc(-c2ccccc2)no1 925349608 BKKQOLPEIXBOGL-ZDUSSCGKSA-N 288.416 3.911 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@H]1Cc1ccccc1 925468073 YNTREXPCZINQSV-FVQBIDKESA-N 256.393 3.536 30 20 CHED CCCC(CCC)C(=O)OCc1ccccc1C#N 753436842 AZCYYUYXYQAAEI-UHFFFAOYSA-N 259.349 3.818 30 20 CHED C/C=C(/C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 752376032 HUXTUHZOOPTWPD-KMKOMSMNSA-N 283.356 3.586 30 20 CHED CC(C)(C)c1ccc(/C=C2/CCn3nccc3C2=O)cc1 853010124 WCOKRIIPEUUFON-OWBHPGMISA-N 280.371 3.851 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)ccc2F)CCCC1 44293258 OIMUGTRFNXOMPM-UHFFFAOYSA-N 266.703 3.502 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1cc2ccc(C)cc2o1 754899710 DCSQLHXDUZQLFD-UHFFFAOYSA-N 294.358 3.984 30 20 CHED C[C@@H](C(=O)OCc1cc(F)ccc1C#N)c1cccs1 759361229 HIYBEKTYSVLOIC-SNVBAGLBSA-N 289.331 3.606 30 20 CHED C[C@@H](OC(=O)Cc1ccc(-n2cccc2)cc1)C(C)(C)C#N 753620333 FICSGVHUVGADBT-CQSZACIVSA-N 296.370 3.501 30 20 CHED C=C(C)[C@H](C)OC(=O)CCc1c[nH]c2c(C)cccc12 756015796 VQHOCWUKGWTKQU-ZDUSSCGKSA-N 271.360 3.917 30 20 CHED CCCn1nc(C)c(C=NNc2cccc(C)c2)c1C 755465165 FOTUOMHDISKVCG-UHFFFAOYSA-N 270.380 3.664 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1c(C)cc(C)cc1C 921219063 POWHZWNDPVYLHH-OAHLLOKOSA-N 276.376 3.636 30 20 CHED C#Cc1cccnc1NC[C@H]1CCCO[C@@H]1c1ccccc1 853231264 GCEHNDGMDIVFHL-QZTJIDSGSA-N 292.382 3.643 30 20 CHED COCCOc1ccc(N[C@H](C)CC(C)(C)C#N)cc1F 925776668 ZTGNJBIRSATKPF-GFCCVEGCSA-N 294.370 3.591 30 20 CHED C=CCCOC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 758837344 CYZHHZFZZRHKDZ-UHFFFAOYSA-N 280.192 3.717 30 20 CHED CC(=NNc1ncccc1[N+](=O)[O-])c1cc(C)sc1C 759200939 JCBUQLQRTWPPPN-UHFFFAOYSA-N 290.348 3.504 30 20 CHED CC[C@H]1CCCC1=NNc1cncc(Br)c1 758117392 GVLBCWKJGBQFKS-VIFPVBQESA-N 282.185 3.822 30 20 CHED CCCCCCCC(=O)Nc1c(C)cnn1CC 855752091 MIGRQTJZYCYNOD-UHFFFAOYSA-N 251.374 3.510 30 20 CHED C=C[C@@H](CC(=O)OCC[C@@H]1CCCC1=O)c1ccccc1 758922410 YKMDPGMFGOUUHT-HOCLYGCPSA-N 286.371 3.649 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1cc(F)c(F)cc1F 851204680 TVSBFGHQKAKLGS-SECBINFHSA-N 299.292 3.518 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccc(Cl)nn1)CCC2 753919650 YHKICXXUPLHOLF-UHFFFAOYSA-N 286.766 3.591 30 20 CHED CCN(C[C@H](C)C#N)C(=O)/C(C)=C\c1cccc(Cl)c1 758466723 NQWQGIHUOKWZBX-YFBAIUBQSA-N 290.794 3.751 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cc(F)cc(F)c1O 757451620 VXJXHAMEQNVTSA-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C1\CC[C@@H](C)C1 753610796 QDGCGBHXYCWDAT-FQZGENGWSA-N 285.387 3.614 30 20 CHED C/C(=C\C(=O)OC1(CC#N)CCC1)c1cccs1 857025895 DMKZBGJAWFHKEG-ZHACJKMWSA-N 261.346 3.531 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 758885944 MEEFGRVAYVHQIE-INIZCTEOSA-N 286.419 3.809 30 20 CHED Cc1cccc2cc(C(=O)O[C@@H](C#N)C(C)(C)C)oc12 765616249 IRCGWRXTVVUADY-ZDUSSCGKSA-N 271.316 3.836 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2C(C)(C)C)cc1 769315833 WQRXSUAUYVUWDW-RHSMWYFYSA-N 286.419 3.988 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1COC(C)(C)C 932536586 HTQJQIKKLGOHNW-AWEZNQCLSA-N 288.391 3.535 30 20 CHED N#Cc1ccc(OC(=O)/C=C/C2CCCCC2)c(F)c1 769738361 NNZPQPIBLYMONM-VQHVLOKHSA-N 273.307 3.739 30 20 CHED CC#CC(=O)Nc1ccccc1NCc1ccc(Cl)cc1 764655583 FIYQPOAFEVCIJZ-UHFFFAOYSA-N 298.773 3.914 30 20 CHED C#CCC(C)(C)COC(=O)Cc1c[nH]c2c(C)cccc12 760272923 CJWKQYDBDRSEEQ-UHFFFAOYSA-N 283.371 3.612 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(Cl)c(F)c2)s1 761914844 RFVITPTVVBULDO-UHFFFAOYSA-N 281.695 3.631 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 860596443 MHLSQLSAXWHIRA-JTQLQIEISA-N 281.302 3.899 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2c(C)cccc2C)c1 766503307 WEQRFTVZIJMJGL-FPLPWBNLSA-N 284.311 3.579 30 20 CHED C=C(C)CNC(=S)N1CCc2ccccc2[C@H]1C(C)C 763164028 JFYHHHJJIAPBOH-MRXNPFEDSA-N 288.460 3.692 30 20 CHED C#CCN(C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C1CC1 763800300 PSWPDYUMPBNRCA-HNNXBMFYSA-N 299.414 3.510 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1csnn1)CC2 760230788 XLAYHWVMKAXEHT-NTUHNPAUSA-N 284.384 3.874 30 20 CHED CC#CCCOC(=O)c1cnc(-c2ccc(C)cc2C)s1 760284017 LQXKCWIKEABRIT-UHFFFAOYSA-N 299.395 3.997 30 20 CHED Cc1cc(C(=O)Nc2sccc2C#N)c(C)s1 57766063 YPGXFMJFZDMIPY-UHFFFAOYSA-N 262.359 3.550 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1ccc(N(C)C)cc1 775837877 VBRWZGDYUOWKRO-AWEZNQCLSA-N 273.424 3.733 30 20 CHED C#CCCCCCCNCc1cnccc1C(F)(F)F 877643332 HXCBKDBIYSHXGG-UHFFFAOYSA-N 284.325 3.774 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1cscn1 776192973 NVKTVUPVMJVKAN-GQCTYLIASA-N 266.325 3.587 30 20 CHED C=C(CC)CN[C@H](c1ccccc1)C1CCOCC1 775437034 FUWCDZBCIUJTFD-QGZVFWFLSA-N 259.393 3.710 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc(CF)cc1 777541290 VVFBKJVCWWYGOT-UHFFFAOYSA-N 268.335 3.660 30 20 CHED CCCc1ccc(C[S@](=O)CCC(C)(C)C#N)cc1 1116743719 CLFPXXFLMKJNKS-LJQANCHMSA-N 277.433 3.828 30 20 CHED C#CCCCCC(=O)OCCCOc1ccccc1C 773639608 JKPLMWYPOZUDSU-UHFFFAOYSA-N 274.360 3.501 30 20 CHED CC(=NNc1ccccc1)c1ccc(-n2cccn2)cc1 873833229 XUUFIOLGWNJGOX-UHFFFAOYSA-N 276.343 3.708 30 20 CHED C#CCN(Cc1cnc(CC)s1)[C@H]1CCc2ccccc21 772600164 VQRSMOCCCXRULV-KRWDZBQOSA-N 296.439 3.828 30 20 CHED C=CCC[C@@H](C(=O)O[C@@H](C)CCOC)c1ccccc1 778688961 LMFXXWSJSLSJGN-GOEBONIOSA-N 276.376 3.705 30 20 CHED C[C@@H](C(=O)OCCC(C)(C)C#N)c1c(F)cccc1F 776395213 CUQKWGDCKSXSJK-SNVBAGLBSA-N 281.302 3.551 30 20 CHED O=C1/C(=C/C2=Cc3ccccc3OC2)Oc2cc(F)ccc21 773170955 GCHKYELLDITDHU-IUXPMGMMSA-N 294.281 3.761 30 20 CHED Cc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)s1 776361520 QARFFANRSDILTH-LBPRGKRZSA-N 263.362 3.686 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccnc(C(F)(F)F)c1 1120734345 XQNALTPJFDKJFJ-GFCCVEGCSA-N 298.308 3.671 30 20 CHED CCCN(C(=O)NCCC#N)[C@H](C)c1cc2ccccc2o1 787352769 VTHQUSNDEYNHDY-CYBMUJFWSA-N 299.374 3.829 30 20 CHED C=CCCN(Cc1ccc(CO)cc1)OCc1ccccc1 782664044 BQEIRTGZCMHSCQ-UHFFFAOYSA-N 297.398 3.689 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)C1C(C)(C)C1(C)C 789076770 MXPOGQKORBCSMH-UHFFFAOYSA-N 297.402 3.998 30 20 CHED N#C[C@H]1CCCN(c2cc(-c3cccc(Cl)c3)ncn2)C1 895649850 QVPJYJIERXHECO-GFCCVEGCSA-N 298.777 3.537 30 20 CHED C#CCC1(C(=O)N[C@H](C)CCC2CC2)CCCCC1 788247669 ILRCTIBHBXFYNI-CQSZACIVSA-N 261.409 3.655 30 20 CHED C=C1CCC(C(=O)O[C@@H]2C[C@H](C)C(=O)C(C)(C)C2)CC1 893129678 KNZKRBOVPVBGII-GXTWGEPZSA-N 278.392 3.670 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1csc(C)c1 899379435 HWHIIRYXJGJEDE-AATRIKPKSA-N 261.346 3.811 30 20 CHED N#CC1(CC(=O)N[C@@H](c2ccncc2)C2CC2)CCCCC1 890901587 GPUJNDJVLKJEDK-QGZVFWFLSA-N 297.402 3.513 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C#N)c1ccc(CC)cc1 890943730 BYHDPOQGOYRBCK-OAHLLOKOSA-N 270.376 3.532 30 20 CHED C=C1CCC(C(=O)N2CCc3c([nH]c4ccccc34)C2)CC1 897241537 LHXJHHVXOIBSDG-UHFFFAOYSA-N 294.398 3.799 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1cnn(C3CCC3)c1)C2 899379526 AOISDJLTVOFPDW-NVNXTCNLSA-N 278.355 3.739 30 20 CHED Cc1nn(C(C)C)cc1C=NNCc1cccc(Cl)c1 799111277 QOIKBFUPYFSIJL-UHFFFAOYSA-N 290.798 3.550 30 20 CHED CCC(=Nn1cc(Br)cn1)c1cccc(C)c1 794924037 UHPKVPZHJISQCM-UHFFFAOYSA-N 292.180 3.616 30 20 CHED CCCCCCCCCC(=O)NCC1(C#N)CC1 797779863 CEXVJOZBPPJYIY-UHFFFAOYSA-N 250.386 3.547 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1cc(F)ccc1C#N 796323901 JPQPKRLPHRYRQE-INIZCTEOSA-N 277.339 3.957 30 20 CHED CCc1cc(C#N)ccc1OCc1cccnc1Cl 799588753 GKEJQAZBBHCYQT-UHFFFAOYSA-N 272.735 3.748 30 20 CHED Fc1c(Cl)cccc1C=NNc1cccc(Cl)n1 793160832 FFUGEUHFCKFKKE-UHFFFAOYSA-N 284.121 3.974 30 20 CHED Cc1ccc2c(C(=O)O[C@@H](C)CC#N)csc2c1 796707218 BOCXCFRIZYQFHR-JTQLQIEISA-N 259.330 3.669 30 20 CHED CCCCCCCCCN(C)Cc1nccn1C 726692456 WNNPKVHPNZQKQN-UHFFFAOYSA-N 251.418 3.603 30 20 CHED CC[C@@H](C)COC(=O)c1ccc(C(C)(C)C#N)cc1 796037030 ROSTZJOUWDTTDI-GFCCVEGCSA-N 259.349 3.691 30 20 CHED CC(=NNc1cncnc1)c1ccc(Cl)c(Cl)c1 794976987 VJPZBWYBIXTYDI-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=C(Cl)CNC(=O)c1csc2cc(C)ccc12 795113291 LPIBQVVLILNAMQ-UHFFFAOYSA-N 265.765 3.692 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C(C)(C)C(F)F)n1 796749242 WDLMDYGAQSXMMF-QMMMGPOBSA-N 286.347 3.734 30 20 CHED CC(C)C1(C)CCN(Cc2cccc(F)c2C#N)CC1 1205486805 UYXHZPRISKNVBG-UHFFFAOYSA-N 274.383 3.955 30 20 CHED C[C@@H]1CCC[C@H](Nc2cccc(OCC#N)c2)[C@@H]1C 85097792 SHKHMDVTMDBLSK-IOASZLSFSA-N 258.365 3.826 30 20 CHED CC1(C)CC[C@@H](CN=c2cc[nH]cc2C#N)c2ccccc21 1162832542 DFCNYZLOSVHLOA-AWEZNQCLSA-N 291.398 3.642 30 20 CHED CCOc1ccc(Cl)cc1CNCC(C)(C)CC#N 1308433544 WDSTTYMWXLZXLN-UHFFFAOYSA-N 280.799 3.768 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC(C1CC1)C1CC1 1319346947 DHAZZIPUJLDZOH-UHFFFAOYSA-N 276.424 3.791 30 20 CHED C[C@@H]1CCc2sc(-c3nnc(C4(C#N)CCC4)o3)cc2C1 1326510598 FTXVCMDHRJSENS-SNVBAGLBSA-N 299.399 3.868 30 20 CHED COc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1F 1324409014 NEOWTIDBYMZBOU-SDQBBNPISA-N 286.277 3.796 30 20 CHED C=CCCc1nnc(CCSc2ccc(F)cc2)o1 1322348576 AZEYTHUJNGESCC-UHFFFAOYSA-N 278.352 3.662 30 20 CHED COc1cc(C=NNc2ccc(C)cc2)ccc1F 1322986738 WLVCHNNNOSZXKY-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=CC[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)OCC 1328216300 TVOKDQVNBUPUBB-TZMCWYRMSA-N 287.359 3.591 30 20 CHED C=CC(C)(C)CC(=O)Nc1cncc(C(F)(F)F)c1 1339167907 YBZZAAVHVMCRRQ-UHFFFAOYSA-N 272.270 3.641 30 20 CHED C=C(C)CCC(=O)Nc1ccc(F)cc1OC(C)C 1337212368 PUYLTMAGCPMGIR-UHFFFAOYSA-N 265.328 3.908 30 20 CHED CCC[C@@H](CC)C(=O)N(CCC#N)CC(C)(C)C 1264999907 HUAFPNYQKXYOLZ-CYBMUJFWSA-N 252.402 3.601 30 20 CHED C#CCN(CC1CC1)[C@@H](C)c1ncc(-c2ccccc2)o1 1345029211 GYJMNTNSFFTGQX-AWEZNQCLSA-N 280.371 3.748 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)c1ccc(Cl)c(C#N)c1 1275117140 WBVGPDHRHBAIKZ-JTQLQIEISA-N 278.783 3.766 30 20 CHED C=C(C)CCC(=O)Nc1cccc(CCN2CCCC2)c1 1358101468 RYTLMMKTUJSTBK-UHFFFAOYSA-N 286.419 3.620 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1(C2CCCCC2)CC1 1434911438 GGQMMDKPLZUKNI-UHFFFAOYSA-N 298.386 3.866 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)[C@H](CC#N)c1ccccc1 1435281452 XTAQVHBWEBYXIR-OFQRWUPVSA-N 272.392 3.625 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2ccc(C#N)cc2F)c1C 1360280543 SSYTZWNAIFUCEH-CYBMUJFWSA-N 296.345 3.805 30 20 CHED CCC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ncc(Cl)n1C 1526586763 CDAGNZAZKRJMEG-RYUDHWBXSA-N 295.814 3.712 30 20 CHED Cc1cc(F)c(COC(=O)c2csc(C#N)c2)cc1F 1521410550 WFOJQFXVRYAMPT-UHFFFAOYSA-N 293.294 3.563 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)C1CC(C)(C)C1 1460217728 ZKFBXUNIKYKKCW-UHFFFAOYSA-N 262.784 3.832 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(CC)cccc1C(=O)O 1609290718 USXOECMBYVHMCQ-UHFFFAOYSA-N 287.359 3.654 30 20 CHED C=CC(C)(C)CCCNCc1ccc(C(=O)O)cc1F 1602807704 UJRKUZAXAFYIOF-UHFFFAOYSA-N 279.355 3.606 30 20 CHED Cc1c(C(=O)/C=C/c2ccoc2C(=O)O)oc2ccccc12 1610407454 YXDIXPGVPUTZLQ-VOTSOKGWSA-N 296.278 3.929 30 20 CHED C[C@H](Sc1cccc(F)c1C#N)c1ccncc1 1473037750 ISTPZIOQBQKPKJ-JTQLQIEISA-N 258.321 3.946 30 20 CHED C[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@@H]1C 1628704579 YLJNCUILBIZSLI-IUCAKERBSA-N 297.185 3.593 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1ncc(Cl)s1 1559218614 IYKQPEHGPVAIOZ-SECBINFHSA-N 277.780 3.866 30 20 CHED N#Cc1nc(N2CC[C@H]2c2ccc(F)cc2)ccc1Cl 1640136209 WCFMRSNAJBFQMJ-AWEZNQCLSA-N 287.725 3.697 30 20 CHED CCc1ccc(CN(CCO[C@@H](C)C#N)CC(C)C)cc1 1646368344 XMUQXJXEFTXABJ-INIZCTEOSA-N 288.435 3.636 30 20 CHED Cc1ccccc1SC[C@@H](C)CN(C)[C@@H](C)CC#N 1652893744 WAXOLGOYQPADNO-ZFWWWQNUSA-N 276.449 3.957 30 20 CHED N#Cc1c(F)cccc1CN1CCCCCCCC1 1658124771 SSLOAHCLPTYQGC-UHFFFAOYSA-N 260.356 3.854 30 20 CHED Cc1ccc(-n2ccc(NCc3cc(C#N)cs3)n2)cc1 1658207759 QSTGIOIHXJPHRR-UHFFFAOYSA-N 294.383 3.726 30 20 CHED C=CCN(Cc1ccsc1C(=O)O)c1ccccc1 1588831744 NDUJKOUAJZEXEG-UHFFFAOYSA-N 273.357 3.639 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H](C)C[C@H]2C)c1C#N 1655593601 ZKEXIDGYDKZLJR-NXEZZACHSA-N 263.772 3.540 30 20 CHED C=C(C)[C@@H](N[C@@H](CC(C)C)C(=O)O)c1ccc(F)c(F)c1 1588534765 IRVFKZZKWLMELP-LSDHHAIUSA-N 297.345 3.671 30 20 CHED N#Cc1nc(N2CCc3cccc(F)c32)sc1Cl 1655252860 FTFUBMNQGXSTBG-UHFFFAOYSA-N 279.727 3.501 30 20 CHED C=C[C@H](SCc1c(Cl)cccc1Cl)C(=O)O 1588715367 WTUSHJIPMMEOMX-JTQLQIEISA-N 277.172 3.866 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(CC(=O)O)cc1 1777477159 BKOQXEQYJIRNHZ-SREVYHEPSA-N 286.352 3.580 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCCCCC2CC2)C1 1776156604 ZBLKIBBCXAKISD-QGZVFWFLSA-N 279.424 3.700 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)c1ccc(O)cc1 1776086264 KAXYKTKNHBKOGD-UHFFFAOYSA-N 298.342 3.625 30 20 CHED CC[C@@H](NN=C(C)c1ccccc1-c1ccccc1)C(=O)O 1776067551 DIIXKJVELIANOM-QGZVFWFLSA-N 296.370 3.530 30 20 CHED C=CCC(CC=C)C(=O)N(CCC)Cc1ccccc1O 161356559 ZRYSDWMELGGRHJ-UHFFFAOYSA-N 287.403 3.899 30 20 CHED C=C(C)CCNCc1sccc1Br 169008370 HQVCWRXJBBQXOX-UHFFFAOYSA-N 260.200 3.566 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccc(C)cc1C 151989983 PMAVPEIFVIMNNR-CYBMUJFWSA-N 263.406 3.940 30 20 CHED N#CCCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 152730283 DKPPUASXMHKOSI-ZDUSSCGKSA-N 289.448 3.505 30 20 CHED C=CCCCCCN(C)C(=O)NOCc1ccccc1 153465044 WRJIYBWIBYNEMN-UHFFFAOYSA-N 276.380 3.506 30 20 CHED Cc1cc(F)cc(NC(=O)c2c(F)cc(C#N)cc2F)c1 155103550 IKYUAEWAGNCPKR-UHFFFAOYSA-N 290.244 3.536 30 20 CHED N#Cc1cccc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)c1 157438269 QZYHSNSCRUJTHP-RBUKOAKNSA-N 292.382 3.568 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)ccc1F 155991445 WSNPAIFXNNOFIP-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCC[C@H](NC(=O)CC1(O)CCCC1)c1ccccc1 154462681 CLHBDWSBKRLTMO-INIZCTEOSA-N 287.403 3.505 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2cc(F)ccc2F)cn1 208118157 YYBMEQLQSPHIRE-UTCJRWHESA-N 276.286 3.638 30 20 CHED O=C1/C(=C\c2cnc(-c3ccccc3)nc2)Cc2ccccc21 208339334 XLRMSIAPJZHPAE-YVLHZVERSA-N 298.345 3.966 30 20 CHED N#Cc1cc(NCCC2=CCCCC2)ccc1[N+](=O)[O-] 127784720 POGMVFTYVAQCRU-UHFFFAOYSA-N 271.320 3.769 30 20 CHED Cc1cc(CN2CC[C@H]3CCCC[C@H]3C2)ccc1C#N 1180404698 XEQKOCQIRXVIRU-AEFFLSMTSA-N 268.404 3.879 30 20 CHED C[C@@H]1C[C@@H](C)CN(c2c(Br)cccc2C#N)C1 1184616881 BQGPCVOCPXBQLU-GHMZBOCLSA-N 293.208 3.803 30 20 CHED CCc1ccc(CNc2ccc(OCC#N)cc2)cc1 20126394 ARCOCZCYJWUAJK-UHFFFAOYSA-N 266.344 3.763 30 20 CHED COc1cc(C#N)ccc1NCc1cccc(Cl)c1F 166768588 OZPYNWRZVBXDCI-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#CC1(NC(=O)[C@@H]2CCCc3sccc32)CCCCC1 167012119 VXHAHBRNSFFOMU-CYBMUJFWSA-N 288.416 3.511 30 20 CHED CN(CCCOc1cccc(C#N)c1)Cc1ccsc1 35719213 BGWUIYAELVUQOG-UHFFFAOYSA-N 286.400 3.521 30 20 CHED N#CCOc1cccc(NCc2cc(Cl)ccc2O)c1 37069691 ODKWJKQZGCWEDP-UHFFFAOYSA-N 288.734 3.560 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cncs2)cc1 287555533 PXEVFZRSBGIMRR-GFCCVEGCSA-N 274.389 3.559 30 20 CHED Cc1cnc([C@H](C)Nc2nc(C)c(C#N)cc2Cl)s1 292640618 OOVVVPVNVLZOOQ-VIFPVBQESA-N 292.795 3.853 30 20 CHED Cc1cccc([C@@H](C)NCCc2cccc(C#N)c2)c1 503580735 DYEVGJNZPGZMRI-OAHLLOKOSA-N 264.372 3.760 30 20 CHED C[C@@H]1[C@@H](Nc2ncc(C#N)cc2Cl)CCC[C@H]1C 513651289 YINURORKYNXZHP-NRUUGDAUSA-N 263.772 3.843 30 20 CHED Cc1ccc(C[C@H](C)NCc2ccc(C#N)cc2)s1 78003645 SGTRKCDGOIRCOX-LBPRGKRZSA-N 270.401 3.649 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccccc1)[C@H](C)CC 472778826 OLOPBPYKJRIZDS-NVXWUHKLSA-N 261.409 3.614 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cccc(OC(F)(F)F)c1 675934217 LKZSLKOUECYRGG-NXEZZACHSA-N 259.271 3.810 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1C[C@@H]1C 583353324 LMDWIVLDPIJRJY-HOCLYGCPSA-N 257.377 3.637 30 20 CHED CC[C@@H](NCc1cccc(OCC#N)c1)C1CCCC1 382811009 NURJUUFIVLTSFI-QGZVFWFLSA-N 272.392 3.647 30 20 CHED C=C(C)CCNCc1ccc(Cl)c2cccnc12 395325071 ODGURNODRRMZAS-UHFFFAOYSA-N 260.768 3.944 30 20 CHED CCO[C@H]1CC(=NOCc2ccccc2)C12CCC2 741163716 WYPUEVHJSHKMCQ-HNNXBMFYSA-N 259.349 3.538 30 20 CHED Cc1ccc([C@H]2CCCCN2CC2(C#N)CCC2)o1 450440746 ZQMFVKFHYWUUNR-CQSZACIVSA-N 258.365 3.809 30 20 CHED N#Cc1cccc(Br)c1N1C[C@H]2CCCC[C@H]21 1186930937 PPYPZKAKUYIHIO-DGCLKSJQSA-N 291.192 3.700 30 20 CHED CC(C)[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1 57627573 JMYKDEOFZJXUSP-IBGZPJMESA-N 294.398 3.924 30 20 CHED N#CC1(C(=O)Nc2ccc(-c3cnco3)cc2)CCCCC1 57396112 URFAGAGRSROHDN-UHFFFAOYSA-N 295.342 3.754 30 20 CHED N#Cc1ccsc1C(=O)Nc1cc(Cl)ccc1F 52028735 DIRDKILQGPMVFP-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cccc2ccccc12 57157898 BMACBPFDCLKEAN-UHFFFAOYSA-N 267.372 3.807 30 20 CHED C=CCn1c(SC/C=C/Cl)nnc1-c1ccccc1 57508871 IBYMIBSVKBSQDX-RMKNXTFCSA-N 291.807 3.976 30 20 CHED C[C@H](Nc1c(Cl)cccc1C#N)c1ccccn1 171808097 SOQXRQVOPRRJPA-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 173537380 APPUEQXHXGOCML-GFCCVEGCSA-N 257.333 3.744 30 20 CHED CCCCCCCNC(=O)COc1cc(C)ccc1C 100058798 OCYVBHZXBHTVOA-UHFFFAOYSA-N 277.408 3.769 30 20 CHED N#CCCCCN1CCC[C@@H](c2ccccc2)CC1 66897671 XXXSMZDVUHMTGY-QGZVFWFLSA-N 256.393 3.950 30 20 CHED COCc1cccc(/C=C/C(=O)C2CCCCC2)c1 172816601 KMQCBAOFYGHGKX-ZHACJKMWSA-N 258.361 3.996 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCc1ccccc1F 63961197 XCTWPKZFNXPAHQ-UHFFFAOYSA-N 282.318 3.577 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc(CC)cc2)CC1 177905497 NXQJRKIDWJOMLS-HNNXBMFYSA-N 272.436 3.550 30 20 CHED CC[C@@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 68457154 KMBOQVQVQWPCMN-PRHODGIISA-N 285.174 3.720 30 20 CHED C/C(=C\C(=O)N(C)[C@@H](C)CC#N)c1cccc(Cl)c1 176239455 OYORNACDISKPFU-ZKQHCESOSA-N 276.767 3.504 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cccc(C#N)c1C 408094237 RQFJEHQWULUADF-RISCZKNCSA-N 271.364 3.662 30 20 CHED N#Cc1ccc(Nc2cccc(Oc3ccncc3)c2)nc1 301234286 KUYHENCNYLHCBQ-UHFFFAOYSA-N 288.310 3.884 30 20 CHED C=CC[C@@H](C)NC(=O)c1sc(-c2cccs2)nc1C 116858135 JTXVPOSIRKLBMX-SECBINFHSA-N 292.429 3.874 30 20 CHED N#Cc1cccc(NCc2c[nH]nc2-c2ccccc2F)c1 179550584 ZVFIJOVZFHVICI-UHFFFAOYSA-N 292.317 3.700 30 20 CHED CC(C)C1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 177910778 MSCKZULIDQKYEY-UHFFFAOYSA-N 289.354 3.597 30 20 CHED C[C@H](NCCCCC#N)c1ccc(F)cc1OC(F)F 178649184 QJZRYSHRXVXGKF-JTQLQIEISA-N 286.297 3.772 30 20 CHED CCCOc1ccc(CNc2c(C#N)cccc2C#N)cc1 302858958 UALGWMDOOUVPEA-UHFFFAOYSA-N 291.354 3.831 30 20 CHED CC[C@H](CNc1ccc(C#N)nc1)Oc1ccccc1C 301510922 ARLAULOPPJEZEH-MRXNPFEDSA-N 281.359 3.531 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](COC)C1 112940555 GQJAUXLEVDGHFA-HNNXBMFYSA-N 269.429 3.622 30 20 CHED C[C@H]1CCCC[C@H]1Nc1c(F)cc(C#N)cc1F 60196991 MYPVPCNTFHFSJE-TVQRCGJNSA-N 250.292 3.827 30 20 CHED COCCOc1cc(C)ccc1NCc1ccc(C#N)cc1 119782663 XSOMKKZJXFUZAR-UHFFFAOYSA-N 296.370 3.504 30 20 CHED CC(C)(C)c1ccc2cc(C(=O)N(CC#N)C3CC3)[nH]c2c1 65894889 WYMJSPFVKUOLQX-UHFFFAOYSA-N 295.386 3.594 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1ccsc1 170964002 QJDDHZNPIQPHIM-SNAWJCMRSA-N 250.269 3.922 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cccc(Cl)n2)n1 173680728 MTVJHCWNZBWNAF-UHFFFAOYSA-N 289.791 3.911 30 20 CHED N#Cc1ccc(CNC2(c3cccc(F)c3)CC2)c(F)c1 178791574 KILLMNZGHZAAMH-UHFFFAOYSA-N 284.309 3.615 30 20 CHED C[C@@H]1CCCCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C 171136949 VQMIMSIDCQALDX-GFCCVEGCSA-N 288.395 3.521 30 20 CHED CC[C@H](C(=O)Nc1ccc(F)cc1C#N)c1ccccc1 126512455 GUYNEZSJXYPCHK-HNNXBMFYSA-N 282.318 3.830 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 126924044 VCRZXUIRLUATLG-XHSDSOJGSA-N 286.419 3.847 30 20 CHED CCC[C@@H](C)CC(=O)NC(C#N)(CCC)CCC 121535356 ONNJGRAGYDDNAU-CYBMUJFWSA-N 252.402 3.791 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccc(Cl)cc1Cl 125013346 ISHCAWYKXKWTTG-VIFPVBQESA-N 289.158 3.880 30 20 CHED C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(CC#N)C1 129059491 OGWMBFZYXTWDGU-GXFFZTMASA-N 268.282 3.612 30 20 CHED C=CCc1cc(CN2CCCC3(CC3)C2)c(O)c(OC)c1 184867393 OOJZKYPISZRCMZ-UHFFFAOYSA-N 287.403 3.505 30 20 CHED C[C@@H](NCCSCC(F)(F)F)c1ccc(C#N)cc1 354243254 ONUOEGMEJLQVMP-SNVBAGLBSA-N 288.338 3.504 30 20 CHED CCOc1ccc(C#N)cc1NCc1cc(F)ccc1F 501004042 WLGPDVJTONGIBH-UHFFFAOYSA-N 288.297 3.847 30 20 CHED CCOc1cc(C)ccc1N[C@H]1CCC[C@H](C#N)C1 185739624 VQCZNJBZGMIBLP-KBPBESRZSA-N 258.365 3.888 30 20 CHED C=CCCC(=O)NCC(C)(C)c1cccc(Cl)c1F 186819234 OWQVSIYBWASPGD-UHFFFAOYSA-N 283.774 3.839 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 188572049 UYGRHHUQRJQTHP-HNNXBMFYSA-N 285.309 3.665 30 20 CHED C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 181991749 HDTMVTAVGDWEAY-VKJFTORMSA-N 286.419 3.804 30 20 CHED Cc1cc(C)c(C(=O)CSc2cc(C#N)ccn2)cc1C 71918337 VLXWPPKWDBRPFL-UHFFFAOYSA-N 296.395 3.854 30 20 CHED CN(Cc1ccc(C#N)s1)[C@H]1CCc2ccccc2C1 126750426 MVNMRXFPLZSCPN-HNNXBMFYSA-N 282.412 3.609 30 20 CHED CC(/C=C\c1ccncc1C#N)=C/c1cccc([N+](=O)[O-])c1 504728590 DXFHDYXOXSQWKG-TWEXEISSSA-N 291.310 3.978 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C/c1cncs1 129984435 NWBLLQXUOGYCJZ-ONEGZZNKSA-N 279.748 3.701 30 20 CHED Cc1cccc(COc2ccc(NC(=O)CC#N)c(C)c2)c1 185319770 BXMJCLGQSAVYRK-UHFFFAOYSA-N 294.354 3.735 30 20 CHED C=CCCCCCN1CCOC[C@@H]1c1ccc(C)o1 488445410 XWUJPYGWZFSFJG-OAHLLOKOSA-N 263.381 3.708 30 20 CHED CC[C@H](C#N)Sc1nc(C2CC2)n(-c2ccccc2)n1 127116204 VFLZWFJBJBBHOH-CYBMUJFWSA-N 284.388 3.539 30 20 CHED CCc1nnc(Oc2cc(C)ccc2C)c(C#N)c1CC 125023862 XVPZSNRGDKNGGL-UHFFFAOYSA-N 281.359 3.882 30 20 CHED C=CCC[C@H](NCC1(CCO)CCCCC1)C1CC1 121598351 XJZOVMODIDQPCF-INIZCTEOSA-N 265.441 3.654 30 20 CHED Cc1ccc([C@H]2CCN(c3ncc(C#N)cc3F)C2)c(C)c1 413260341 DTUYATWJJBRJCC-HNNXBMFYSA-N 295.361 3.703 30 20 CHED Fc1ccc(Cl)c(CO/N=C2/CCCOCC2)c1 187199418 MQYLIPQVSXRZCL-VBKFSLOCSA-N 271.719 3.552 30 20 CHED N#Cc1ccc(NCc2csc3ccccc23)nc1 76806218 IFDMJPGEXCFEQX-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1cc(F)cc(F)c1 187543614 BJNACYRMASMDNC-UHFFFAOYSA-N 299.386 3.623 30 20 CHED C=C[C@H](CC(=O)N(C)c1cccc(C)n1)c1ccccc1 135020426 VMJGPHSROAWFGC-OAHLLOKOSA-N 280.371 3.713 30 20 CHED C=CC[C@H](CC)N[C@H](C(=O)OCC)c1cccc(Cl)c1 500779737 JZJMSLZPZXDULE-GJZGRUSLSA-N 295.810 3.889 30 20 CHED CC(C)C[C@@H](C)NC(=O)Nc1ccccc1O[C@H](C)C#N 184297544 PYABQMHFRMAZBJ-CHWSQXEVSA-N 289.379 3.534 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1/N=C(/O)[C@H]1CCc2n[nH]cc2C1 328770738 AFJGQODDUKZPHW-DYEKYZERSA-N 289.423 3.686 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cnc2cnccc2c1 328782856 JTPVRJHLDOUQAW-WOSRLPQWSA-N 295.386 3.903 30 20 CHED N#Cc1cc(NCCCc2ccccc2)ccc1[N+](=O)[O-] 135408385 RQPWRGTXCKANRR-UHFFFAOYSA-N 281.315 3.511 30 20 CHED CC[C@H]1C[C@@H](C(O)=Nc2cccc3ccn(C)c23)CC(O)=N1 329958107 QLOIAPBZKBZUPJ-OLZOCXBDSA-N 299.374 3.911 30 20 CHED N#CC1(CC[S@](=O)Cc2ccc(F)cc2)CCCCC1 417163474 UGHIUJLLZOIFFY-FQEVSTJZSA-N 293.407 3.939 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2)C1 508251358 WWSOHSJGEBDBCP-HOCLYGCPSA-N 285.391 3.895 30 20 CHED C=C1CCN(C(=O)c2csc(C3CCCCC3)n2)CC1 412031217 ASSWXEBJFGDKQW-UHFFFAOYSA-N 290.432 3.983 30 20 CHED Cc1ccnc2[nH]c(S[C@@H](C#N)C3CCCCC3)nc12 329967806 VSEYASVGYRZVMG-LBPRGKRZSA-N 286.404 3.831 30 20 CHED CCCCCCCC[S@@](=O)Cc1c(C)noc1C 190728903 LMPXQVFANLQFHZ-GOSISDBHSA-N 271.426 3.901 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1ccc(-c2ccccc2)o1 507190527 LWTFWNFSIANATL-KRWDZBQOSA-N 282.343 3.503 30 20 CHED CN(Cc1cc(C#N)ccc1Br)C1CCCC1 191772990 STMGTBTVVTYVBU-UHFFFAOYSA-N 293.208 3.695 30 20 CHED CC(C)(C)c1ccc(C(=O)NCc2ccc(C#N)s2)cc1 421600446 KGYKODKJWAVMSR-UHFFFAOYSA-N 298.411 3.847 30 20 CHED C[C@@H]1CCC[C@@H](/N=C(/O)c2cnc3cnccc3c2)CC1 328833875 RXEDQNSLFXSTOH-IUODEOHRSA-N 283.375 3.903 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CCCC[C@H]1C 425552406 RPPAGRWLSYPLGE-KGLIPLIRSA-N 264.413 3.791 30 20 CHED C=CCCCCCCNC(=O)c1cccnc1Cl 286942810 HNVYARUHMHZAFR-UHFFFAOYSA-N 266.772 3.601 30 20 CHED CCc1cnc(N=C(O)c2coc(C3CCCC3)n2)s1 328835425 XDWHPRQLHRAXCT-UHFFFAOYSA-N 291.376 3.987 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccc(Cl)cc1 424535028 NLEZZVBCFUNRQH-UHFFFAOYSA-N 265.784 3.601 30 20 CHED O=C1/C(=C/c2ccsc2)Cc2c(F)cc(F)cc21 131182394 ODRBIPUBNROFHX-YCRREMRBSA-N 262.280 3.849 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccccc1Br 191791454 NPNGXESWBAYVRI-CYBMUJFWSA-N 282.181 3.990 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(Oc2ccccc2)c1 44351095 QADFCYSUIOXIKF-UHFFFAOYSA-N 280.327 3.967 30 20 CHED CN(Cc1cccnc1)Cc1ccccc1C(C)(C)C#N 132442673 HAPRJSPCGZEELG-UHFFFAOYSA-N 279.387 3.515 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 514579884 LSWQRJDXVKPDPA-ARFHVFGLSA-N 278.440 3.953 30 20 CHED C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(C#N)cc1 83079962 MRNDQJRCIJYSPJ-ODXCJYRJSA-N 287.359 3.707 30 20 CHED CC1(C)CCCC[C@@H]1/C(O)=N/Cc1noc(C2CC2)n1 329884100 RYGSZMCINRKDBZ-LLVKDONJSA-N 277.368 3.620 30 20 CHED CC[C@H]1CCCN1C(O)=Nc1cn(C)nc1-c1ccccc1 329515818 DFNJCOYDRUDPBV-AWEZNQCLSA-N 298.390 3.507 30 20 CHED C[C@@H]1CCc2sc(C(=O)[C@H](C#N)c3ccccn3)cc2C1 46706061 VWFCHVWVZXVWBY-DGCLKSJQSA-N 296.395 3.758 30 20 CHED CCCCCCC[S@@](=O)Cc1c(CC)noc1C 133827576 KROQOWCZUNDGKU-SFHVURJKSA-N 271.426 3.765 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC2(CCC2)C[C@@H]1C 336295099 XRVAMWIRYDIDRM-ZDUSSCGKSA-N 283.375 3.663 30 20 CHED Cc1c(NC(=O)C[C@H]2CCC[C@H](C)C2)ccc(C#N)c1C#N 421560294 QHWLMFOBWKEACH-JSGCOSHPSA-N 295.386 3.893 30 20 CHED C=C(CNC(=O)N1CCC[C@H](C(C)C)C1)c1ccccc1 512664744 BAPYLVFQIWQIKM-KRWDZBQOSA-N 286.419 3.777 30 20 CHED CC(C)c1ncsc1/C(O)=N/CC[C@H]1CCCCO1 331345943 VTBPTKGMFNZYRY-LLVKDONJSA-N 282.409 3.530 30 20 CHED CCOc1cc(/C=C/c2ccc(C#N)cn2)ccc1OC 193446884 NIEPPROYZLJXJT-QPJJXVBHSA-N 280.327 3.531 30 20 CHED CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 425092400 ZXZRAUVPAUPEBA-NSHDSACASA-N 298.308 3.602 30 20 CHED C=C(C)CCN1CCN(c2cccc3cnccc23)C[C@@H]1C 510797561 NLSYGGOXFPVZRX-INIZCTEOSA-N 295.430 3.712 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCN(c2ccccc2F)C1 426296723 SVLLEIGLOIUIBQ-ZNMIVQPWSA-N 276.399 3.595 30 20 CHED CCSCC[C@@H](C)Nc1nc(Cl)c(C#N)s1 233832258 KIARERHEOREAHA-SSDOTTSWSA-N 275.830 3.612 30 20 CHED N#Cc1ccn(Cc2ccc(Cl)cc2Cl)c1 339194821 PGRIOEBRCFCOKK-UHFFFAOYSA-N 251.116 3.715 30 20 CHED C[C@H](CC#N)N(C)CCOc1ccc(Cl)cc1Cl 161807770 HTNNNAGWDBCNCW-SNVBAGLBSA-N 287.190 3.606 30 20 CHED C[C@@H](CCNc1nc2ccccn2c1C#N)c1ccccc1 513063836 JBNBMZGUPGOIFS-AWEZNQCLSA-N 290.370 3.812 30 20 CHED CC(C)Cc1nc(/C(O)=N/[C@@](C)(C#N)CC(C)C)cs1 330481700 PZMSTFOUIMBIRI-OAHLLOKOSA-N 293.436 3.975 30 20 CHED CCC[C@H](C)N(C)Cc1ccc(Br)cc1C#N 383327845 FRCUPQFAZAMXQF-NSHDSACASA-N 295.224 3.941 30 20 CHED CCOc1ccccc1[C@H](C)NCc1cc(C#N)ccc1F 90117245 KGOXLMDPNLQOFY-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCCCC1 517018208 VQAORXMCAOZSDV-UHFFFAOYSA-N 282.391 3.512 30 20 CHED N#CCc1ccccc1NC(=O)c1ccccc1Cl 336494414 HAMVXKBAIGRFHI-UHFFFAOYSA-N 270.719 3.658 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 338847114 KCRWDRBPMRWPGJ-KGLIPLIRSA-N 288.439 3.604 30 20 CHED C=CCCCN[C@@H](C)c1ccc(OC(F)F)cc1 179608539 ZBULQIXSHFCAJI-NSHDSACASA-N 255.308 3.905 30 20 CHED C=CCN(C)C(=O)NCC1(c2ccc(C)c(C)c2)CCC1 434447884 FHDBKHMAIAOPFO-UHFFFAOYSA-N 286.419 3.553 30 20 CHED C=CCN(C(=O)CCc1nc(C)cs1)c1ccccc1 435630465 XISXYLGLXUKMDS-UHFFFAOYSA-N 286.400 3.603 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1ccc(F)c(F)c1 249803471 AQSJIHFXFZTODD-WDEREUQCSA-N 252.308 3.507 30 20 CHED Cc1ccc(C#N)c(N2C[C@H](c3ccc(F)cc3)C[C@H]2C)n1 245710347 FAIPVBRMCRAPKI-CZUORRHYSA-N 295.361 3.783 30 20 CHED CCSc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 349798595 FRVXMVVCPBBNHO-TZMCWYRMSA-N 260.406 3.580 30 20 CHED CN(Cc1ccc(F)cc1F)Cc1cccc(C#N)c1F 340734427 BUSZRFUVPZQWMW-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CCN(Cc1c(F)cccc1F)C[C@H](C)CCC#N 602452985 GFZCHSZWJBHEFI-GFCCVEGCSA-N 266.335 3.727 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2cccnc2)c(Cl)c1 346961244 FMSGCLFOZIKOAS-QGZVFWFLSA-N 297.789 3.944 30 20 CHED CCN(CCC#N)[C@@H](C)c1ncc(-c2ccccc2)o1 348543531 KFGJKPDEYSRSKU-ZDUSSCGKSA-N 269.348 3.638 30 20 CHED N#CCCCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 603889859 ABCVBQOKMWLAHA-OAHLLOKOSA-N 267.376 3.651 30 20 CHED N#CCCN(CCc1cccc(C(F)(F)F)c1)CC1CC1 600118123 QXRIGBXHCXJADO-UHFFFAOYSA-N 296.336 3.874 30 20 CHED CC(=O)c1cc(NCc2cc(C#N)ccc2F)ccc1F 349701026 VOXSJEBDFHGUOW-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(F)c2ccccc12 602462521 NHMRJATWHAIXFW-GFCCVEGCSA-N 256.324 3.713 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C(C)C)nc1 343262864 WAMBPNTUEHYFQO-CYBMUJFWSA-N 260.381 3.680 30 20 CHED CS[C@H](C)CCC(=O)Nc1cc(C#N)c2ccccc2n1 345036631 PMNWPDKKWAKYQF-LLVKDONJSA-N 299.399 3.577 30 20 CHED C=CCC(C)(C)c1noc(-c2cc3ccccc3c(O)n2)n1 340791449 IBKIFZRVIURTAX-UHFFFAOYSA-N 295.342 3.844 30 20 CHED N#CCc1ccc(CSCc2cccnc2)cc1 341995565 KJUSPFUHXGTODI-UHFFFAOYSA-N 254.358 3.581 30 20 CHED N#CCc1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1 603458981 WYDCWFLOOTXTOE-UHFFFAOYSA-N 281.340 3.548 30 20 CHED N#Cc1cccc(CNCc2ccc(C3CCC3)cc2)n1 602631969 BARYJZHOUVSOKN-UHFFFAOYSA-N 277.371 3.511 30 20 CHED N#CC1(CSc2nnc(-c3ccc(Cl)s3)o2)CC1 349157514 HBVZNKIKQZMSMU-UHFFFAOYSA-N 297.792 3.847 30 20 CHED Cc1c(Nc2cccc(F)c2C#N)cnn1CC(C)C 346699998 OSAMASFANZRLFV-UHFFFAOYSA-N 272.327 3.602 30 20 CHED Brc1ccsc1C=NNc1ccccc1 252625287 QGRZIPJWSUIILP-UHFFFAOYSA-N 281.178 3.957 30 20 CHED N#Cc1cc(F)c(NC[C@@H]2CCc3ccccc3N2)c(F)c1 525706793 FKQOYYMVDKZABP-ZDUSSCGKSA-N 299.324 3.675 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc2c(c1)C(=O)N(C)CC2 449222632 MXRHZRGKHVASJR-CQSZACIVSA-N 286.419 3.862 30 20 CHED CC(C)Cc1noc(C[C@H](CC#N)c2ccccc2)n1 345659197 HTDXWMXGGQQFME-AWEZNQCLSA-N 269.348 3.508 30 20 CHED C[C@H](CC(=O)NCC(C)(C)CCC#N)C(C)(C)C 345915753 VRZWIXLDAVHFFZ-GFCCVEGCSA-N 252.402 3.505 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCC#Cc1ccccc1 449211970 YRLVUBWOLQBFJY-QGZVFWFLSA-N 271.404 3.617 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 448667436 XMJVBUQONZQZOS-XYPHTWIQSA-N 284.403 3.952 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCCn2nc(C(C)C)nc21 449194455 PDHMYQLVLLTRSP-GJZGRUSLSA-N 290.455 3.961 30 20 CHED CC1(C)/C(=C\c2ccc(O)cc2)C(=O)c2ccccc21 255525408 SITFJBKHDGXRRJ-WJDWOHSUSA-N 264.324 3.950 30 20 CHED CC(C)Oc1ccc(-c2cn([C@H]3CC[C@@H](C#N)C3)nn2)cc1 600813084 KENMWJDLLRCKJT-HIFRSBDPSA-N 296.374 3.597 30 20 CHED CCn1cc(/C=C\C(=O)c2oc3ccccc3c2C)cn1 255390376 GGJKUUNQYJRWLN-HJWRWDBZSA-N 280.327 3.854 30 20 CHED CC1(C)CCCCN(C(=O)c2cc(C#N)ccc2Cl)C1 354998797 JKSDHCFDEIWQNP-UHFFFAOYSA-N 290.794 3.864 30 20 CHED CC1(C)CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 355981255 DMXUFNHJGVWJMW-INIZCTEOSA-N 284.403 3.723 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1nc2ccccc2o1 442674658 WVJLCAKBFLDOFM-ZDUSSCGKSA-N 291.354 3.892 30 20 CHED N#CC1(COc2ccccc2Br)CCC1 260146511 IWXIFUPOCFVJAM-UHFFFAOYSA-N 266.138 3.522 30 20 CHED C=C(CC)COc1cc(COC)nc2ccc(F)cc12 352162704 QRXWTRHRMDFPJT-UHFFFAOYSA-N 275.323 3.865 30 20 CHED C=CCC1(C(=O)NCc2cccs2)CCCCC1 448575158 STRMSKZKZLVSRK-UHFFFAOYSA-N 263.406 3.891 30 20 CHED C=CCc1cc(CN(CC)C2CCC2)cc(OC)c1O 353858414 COROWVDFSNPHQK-UHFFFAOYSA-N 275.392 3.504 30 20 CHED C=CCCC(=O)N(C)Cc1c(Cl)cccc1Cl 263640565 APRJLXKTVQLENX-UHFFFAOYSA-N 272.175 3.918 30 20 CHED C=CCN(C(=O)CSc1cc(C)ccc1C)C1CC1 539036065 YDWTZYCNMFDULI-UHFFFAOYSA-N 275.417 3.573 30 20 CHED CCCC[C@@H](CC)Cn1cc(C#N)c(=O)c2nc(C)ccc21 443547648 HMPQLSXKIBLJMY-CQSZACIVSA-N 297.402 3.793 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(-c2csc(C)n2)cc1 440412198 FKPOPYAAIFAWDI-UHFFFAOYSA-N 298.411 3.933 30 20 CHED CC1(C)CC[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1 351834462 VIAJLNIGKNLCFN-HZPDHXFCSA-N 299.418 3.909 30 20 CHED Fc1ccc(C#CCN[C@@H](c2ccccc2)C2CC2)cc1 538392250 PWAUIBVJEPVQLK-IBGZPJMESA-N 279.358 3.918 30 20 CHED CC(C)(C)[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CS1 449734203 AJHBBKMAUMZYSM-ZFWWWQNUSA-N 292.423 3.707 30 20 CHED Cc1noc(C)c1COc1ccc(C(F)(F)F)c(C#N)c1 619265972 JQMWVRRAVWSOHM-UHFFFAOYSA-N 296.248 3.761 30 20 CHED CCn1ccc(CN(C)Cc2ccc(Cl)cc2C#N)c1 616786142 LREMRVRWFMDTKY-UHFFFAOYSA-N 287.794 3.665 30 20 CHED C=CCCC(=O)Nc1cccc(-c2ncco2)c1C 355679975 ICDOJZRJRQNLSY-UHFFFAOYSA-N 256.305 3.555 30 20 CHED C=CCCCNC(=O)N1CC[C@@](C)(c2ccc(C)cc2)C1 448042169 HUKMLJYSEDVJPO-GOSISDBHSA-N 286.419 3.634 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccc(C)c(C)c1 618165680 BVBYDWZATBIOAU-UHFFFAOYSA-N 259.393 3.564 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(O)cc1 611526569 USGZQWRHIZNFPQ-RTBURBONSA-N 292.382 3.664 30 20 CHED C=C1CCN(C(=O)C[C@@H](CC)c2ccccc2)CC1 264463351 HHKPKUMVMOGACF-OAHLLOKOSA-N 257.377 3.749 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)CCC(C)C 448906557 AIEHQVPKVOCIOA-HUUCEWRRSA-N 264.413 3.601 30 20 CHED CCN(Cc1ccc(Cl)cc1)C[C@H](C#N)CCC#N 264825830 BXILDARKLWLCOH-AWEZNQCLSA-N 275.783 3.605 30 20 CHED CCSCC[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 353259383 SFOLNZFKOCBOHB-WBMJQRKESA-N 274.433 3.667 30 20 CHED N#Cc1ccc(CN2Cc3ccccc3C(F)(F)C2)s1 611286853 IUUHEYXDLINDRA-UHFFFAOYSA-N 290.338 3.727 30 20 CHED N#C[C@@]1(F)CCN(CCCOc2ccc3ccccc3c2)C1 615645867 LTTCUQLHRCBKDH-SFHVURJKSA-N 298.361 3.546 30 20 CHED C=C(Br)CN[C@@](C)(CC)c1nc(C)cs1 269610069 DXVJPYVTMZMOIO-NSHDSACASA-N 289.242 3.575 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)c(Cl)c1 453357557 OPMONKDPUMQBFN-KMUNFCNLSA-N 283.774 3.863 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 362679766 MLDIICLLIMLOKF-JTQLQIEISA-N 287.388 3.815 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3ccccc32)cc1Cl 619747024 YYELFNWWKVEXFI-QGZVFWFLSA-N 282.774 3.989 30 20 CHED Cc1ccc(F)cc1CN[C@H]1CCc2cc(C#N)ccc21 618741851 IKSMKWZCAXLROA-SFHVURJKSA-N 280.346 3.783 30 20 CHED CCN(C(=O)Nc1cccc(CC#N)c1)C1CCCC1 455904989 KWECPQHELAFJKG-UHFFFAOYSA-N 271.364 3.549 30 20 CHED CC(C)C[C@@H](NCc1ccnc(C#N)c1)c1cccs1 612475327 CADGFBWJVHVELF-OAHLLOKOSA-N 285.416 3.892 30 20 CHED Cc1cccc2c(N(C)CC(C)(C)C)c(C#N)cnc12 610275874 WJLBELYSRNLMHG-UHFFFAOYSA-N 267.376 3.897 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc(Cl)s1 453354283 KTLQSUABVMHNLT-AXFHLTTASA-N 271.813 3.786 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1cccc(CC)c1)OCC 457330604 RNPZAJRLEHLRJJ-INIZCTEOSA-N 275.392 3.583 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 617777210 KKLKLVLWYDXYAH-JKSUJKDBSA-N 261.409 3.938 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(CC#N)cc1)[C@@H](C)CC 274334223 MEBMPBRRINMWCC-KBPBESRZSA-N 272.392 3.792 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1ccc(C#N)cc1 611298764 XSMKIPKGBWGOMF-SJKOYZFVSA-N 284.334 3.885 30 20 CHED CC1=C(C)CN(c2ccc3cc(C#N)ccc3n2)CC1 619505746 CLWJCXOXMCDRHB-UHFFFAOYSA-N 263.344 3.653 30 20 CHED Cc1nsc(N2CC(c3cccc(Cl)c3)C2)c1C#N 450833204 XSYHWJFYJOACRW-UHFFFAOYSA-N 289.791 3.580 30 20 CHED Cc1nc(C2CCCCC2)sc1C(=O)NC(C)(C)C#N 541900435 XMLODETXOPWDOH-UHFFFAOYSA-N 291.420 3.531 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H]1C=CCCC1 274996802 CHELAYPDDCGBIS-OAHLLOKOSA-N 273.376 3.583 30 20 CHED C=CCC1(C(=O)N2CCC(OC(C)(C)C)CC2)CCCC1 450117426 SWZIDSQWGCUYOA-UHFFFAOYSA-N 293.451 3.929 30 20 CHED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C1CCOCC1 360648739 RXPCMTXUIBPBER-IFXJQAMLSA-N 298.430 3.730 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(C)(C)C 622943169 QQBMJGKOANXBME-HUUCEWRRSA-N 275.367 3.742 30 20 CHED CCC(CC)Oc1ccc(C(=O)N[C@H](CC)CC#N)cc1 450626593 SENBRGUZEUJKBM-CQSZACIVSA-N 288.391 3.676 30 20 CHED C=CCC1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CCCC1 453259946 PVXHGYWZRXPHFT-UHFFFAOYSA-N 289.291 3.626 30 20 CHED CC1CCN(c2cccc(NC(=O)CC(C)(C)C#N)c2)CC1 278262389 DDDVRUOTLLEWRZ-UHFFFAOYSA-N 299.418 3.801 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(SC)c1C 271797025 LMSRATBVTIQWKP-LBPRGKRZSA-N 279.405 3.637 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCS2)CCCCC1 450089754 JTBZBEVVQZOLIJ-CYBMUJFWSA-N 267.438 3.525 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1ccccc1 270458063 TWXUMBRIALOBFU-HOCLYGCPSA-N 296.370 3.747 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(CC#N)cc1 270334997 MVYDJEZAIVPLLH-WMLDXEAASA-N 284.403 3.793 30 20 CHED C#CCC(C)(C)C(=O)N(CCC)Cc1ccc(F)cc1 274312638 YDWLDAPIOKJDEJ-UHFFFAOYSA-N 275.367 3.614 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(F)(F)C[C@H]1C 623856179 OOOJTDHJTRKQBE-NWDGAFQWSA-N 274.355 3.560 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CC(C)(C)C#N)C2)cc1 278879710 ZNFONRWMLCAYIM-GOEBONIOSA-N 284.403 3.639 30 20 CHED C=CCC1(NCc2c(CC)noc2C)CCCCC1 625935978 VJBRKIVROAMQJS-UHFFFAOYSA-N 262.397 3.914 30 20 CHED C=CC[C@@H]1N(c2nnc(C(C)C)n2CC)CCCC1(C)C 460307000 DIMGSFFKRFCNKW-AWEZNQCLSA-N 290.455 3.993 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 375640312 OIELVCJPTZVMJO-GDBMZVCRSA-N 290.382 3.679 30 20 CHED Cc1ccc(C)c(-n2ncc(N[C@H]3CC[C@H](C#N)C3)c2C)c1 555951419 NYWATACDVUTVGW-HOTGVXAUSA-N 294.402 3.902 30 20 CHED CCc1ccc(CNC(=O)[C@@H](C)c2cccc(C#N)c2)s1 461911382 RPMVBELDHJGGFI-LBPRGKRZSA-N 298.411 3.602 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(-c2c(C)noc2C)cc1 285673656 FGRCMDLKJLVHBD-QGZVFWFLSA-N 298.342 3.804 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCCO1)c1ccccc1 284616163 IUMXQCWSXMXACM-NXHRZFHOSA-N 299.414 3.516 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Oc1cccc(C)c1 467989564 FFUJDMBGWKRJRE-CRAIPNDOSA-N 289.419 3.871 30 20 CHED C=CCC(C)(C)c1noc(-c2nc3cccnc3s2)n1 551141901 CIARSMIETVTVNM-UHFFFAOYSA-N 286.360 3.595 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)NCC#Cc1ccccc1 465585829 UWMMJCKKYARVPV-SJLPKXTDSA-N 298.430 3.648 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC=C)Cc1cccc(C#N)c1 281364755 NMWYFQAXALADQE-QGZVFWFLSA-N 297.402 3.611 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1O 553826155 XPRYOLPPHFUZEE-OLZOCXBDSA-N 285.840 3.693 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1Cl)C1CC1 285534390 RLZAXJAVVOCSSZ-UHFFFAOYSA-N 276.767 3.616 30 20 CHED CC#CCCN(C)Cc1c(C)nn(-c2ccccc2C)c1C 462311224 HTUBAZIFJBCZTQ-UHFFFAOYSA-N 295.430 3.643 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 280854311 LOCPKVYQGNNGPA-CYBMUJFWSA-N 272.392 3.604 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 281623977 XEUXLZRSDGAUJW-SJORKVTESA-N 287.403 3.521 30 20 CHED C=CCC(C)(C)c1noc(-c2ccnc(OC(C)C)c2)n1 551490127 LBMPITZMVHFYAI-UHFFFAOYSA-N 287.363 3.773 30 20 CHED C#CCCCc1nc(-c2cc(F)ccc2C(F)(F)F)no1 809300585 VETGMVFKEOXDQG-UHFFFAOYSA-N 298.239 3.850 30 20 CHED C#CCN(C(=O)N[C@H](C)c1ccsc1)C1CCCCC1 802389496 OMFONENQTKWEOP-CYBMUJFWSA-N 290.432 3.787 30 20 CHED C=CCCCCCCNC(=O)N1CCCC[C@@H]1C=C 807571683 NBDIETUDEZKFSU-HNNXBMFYSA-N 264.413 3.873 30 20 CHED C[C@@H](C#N)OCCNC1(c2ccc(Cl)c(Cl)c2)CC1 801931320 XOEHQHPIBUBEHL-JTQLQIEISA-N 299.201 3.501 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1ccccc1F 805695671 CZWGVOACEWTVBX-GFCCVEGCSA-N 263.312 3.904 30 20 CHED C#CCCCC(=O)Nc1csc(-c2ccccc2)n1 804823075 NHNSTQSVDMBDBT-UHFFFAOYSA-N 270.357 3.552 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCCC#N 290478809 XHGVSBJGAUWTFK-INIZCTEOSA-N 267.376 3.747 30 20 CHED C=CCCCNC(=O)CCCc1ccccc1Cl 564502749 DBVWKSADIMHYRF-UHFFFAOYSA-N 265.784 3.745 30 20 CHED C[C@H](SCCO[C@H](C)C#N)c1cc(F)ccc1F 802749830 OLCBCVBHKYLXSF-ZJUUUORDSA-N 271.332 3.688 30 20 CHED C=CCN(C(=O)CCc1ccccc1F)c1ccccc1 641896823 DFENZLSJQYFHHD-UHFFFAOYSA-N 283.346 3.978 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccsc1 807990905 OITUINQHOFQZNC-UHFFFAOYSA-N 275.333 3.801 30 20 CHED c1ccc(C(CC2CCC2)=NN[C@H]2CCSC2)cc1 808001706 OQTHNXCAJKJNLK-HNNXBMFYSA-N 274.433 3.676 30 20 CHED Cc1cc(COc2ccc3c(c2)C(=O)CCC3)ccc1C#N 478809606 AXNUCGASEVILMQ-UHFFFAOYSA-N 291.350 3.965 30 20 CHED C/C(=C/C(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1 805278443 ALJVWQUXRRCEKW-QBFSEMIESA-N 288.366 3.675 30 20 CHED N#CCCC1CCN(c2ncc(C(F)(F)F)s2)CC1 567767392 LRMWQLVAMZWQDO-UHFFFAOYSA-N 289.326 3.682 30 20 CHED C=C(Cl)COC(=O)[C@H](C)Cc1cncc2ccccc12 805679966 HBDYNWGFGAMKLZ-LLVKDONJSA-N 289.762 3.709 30 20 CHED Cc1ccccc1COC(=O)c1cc(C#N)ccc1Cl 803831438 RWMYSLBVVRGWFB-UHFFFAOYSA-N 285.730 3.877 30 20 CHED C[C@@H](C#N)OCCSCC[C@H]1CCC[C@@H](C)C1 802751215 GTYISFPOAAIMKK-HZSPNIEDSA-N 255.427 3.865 30 20 CHED N#CC1(COC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CCC1 802765911 RTDXEZMYVHPMGB-RBSFLKMASA-N 275.392 3.830 30 20 CHED C=CCCCCN[C@H](C(=O)N(CC)CC)c1ccccc1 471884823 MIJITDBOOHNXPB-KRWDZBQOSA-N 288.435 3.542 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)oc1C 647378422 YMVFVVQMXGMDAR-LLVKDONJSA-N 286.356 3.720 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(OC(F)F)c1 487935451 ZLPCMWMYVHZBPH-GFCCVEGCSA-N 296.317 3.860 30 20 CHED C=C[C@H](C)NC(=O)Nc1cnn(CCCC)c1C(C)C 485138135 POLIXZKKAQOQFZ-LBPRGKRZSA-N 278.400 3.503 30 20 CHED c1ccc2c(=NN=C3CCCc4sccc43)cc[nH]c2c1 814841358 NKDPAJCURYLIHV-UHFFFAOYSA-N 293.395 3.871 30 20 CHED CC1(C)CCCC[C@H]1NCC#Cc1ccc(F)cc1 481187642 GZHLQQNDBDIZSA-MRXNPFEDSA-N 259.368 3.736 30 20 CHED CC#CCCCc1nc(Cc2c(F)cccc2Cl)no1 569035479 LATSQUOXYMGDIU-UHFFFAOYSA-N 292.741 3.799 30 20 CHED Clc1nccnc1NN=C1CCCC12CCCC2 814850206 DCMOFVBQPYZSCS-UHFFFAOYSA-N 264.760 3.642 30 20 CHED Clc1ccc(NN=Cc2nccs2)c(Cl)c1 814751245 IZPQAMHJUOGDPG-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CC[C@@H](O)CNN=C(C)c1ccccc1SC(C)(C)C 811654218 NMXVRSVNNBWOOM-CYBMUJFWSA-N 294.464 3.662 30 20 CHED C=CCC[C@H](NCC(CC)(CC)CO)c1ccco1 569516423 NSMSXXVIAKLKIG-AWEZNQCLSA-N 265.397 3.675 30 20 CHED CC(C)[C@@H]1CC(=NNc2cnc3ccccc3n2)CS1 814830924 VNEDGHWGVHVRSS-AWEZNQCLSA-N 286.404 3.559 30 20 CHED CC[C@H](CN(CC)CC1(C#N)CC1)c1ccccc1 481752412 CEYRTMPZTUJAIU-OAHLLOKOSA-N 256.393 3.806 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2cc(C)ccc2s1 810624225 NKKLVQRIGIRJEW-NSHDSACASA-N 259.330 3.669 30 20 CHED C=CCCN[C@@H](Cc1ccncc1)c1ccc(OC)cc1 658114011 KOQDPVVPFHPBIP-SFHVURJKSA-N 282.387 3.540 30 20 CHED C#Cc1ccccc1CC(=O)N(CCC)Cc1ccccc1 810023792 LOWHRXPFSNJHMD-UHFFFAOYSA-N 291.394 3.649 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@]23CCC[C@H]2C3)cc1 575740048 USUGXZKHICUSGF-GUYCJALGSA-N 268.360 3.616 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2c(F)cccc2n1CC 489428042 DKYXLYLNVDWUEL-ZDUSSCGKSA-N 287.382 3.736 30 20 CHED C=CCC(C)(C)CNC(=O)C1(c2ccccc2)CCC1 489955822 LVAZVFSPESQFRO-UHFFFAOYSA-N 271.404 3.827 30 20 CHED Cc1nc(N2CCC[C@@H](Cc3ccccc3)C2)ccc1C#N 488071424 XWSIPKWPGQJLQJ-KRWDZBQOSA-N 291.398 3.721 30 20 CHED C=CCN(Cc1cccc(C#N)c1)CC1(OC)CCCCC1 483270147 KACWYKXROZJAFK-UHFFFAOYSA-N 298.430 3.896 30 20 CHED Cc1sc2ncnc(NN=C3CC4(CC4)C3)c2c1C 814726291 OMHKDWZSPKZVSX-UHFFFAOYSA-N 272.377 3.650 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[C@H](C)CC1 574642326 OGVOSRTVEHXRGS-IIAWOOMASA-N 284.403 3.904 30 20 CHED N#CCC1(OC(=O)/C=C/c2ccc3ccccc3n2)CCC1 810858535 BDUMONMBOPUUHL-CMDGGOBGSA-N 292.338 3.628 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(c3cccc(F)c3)CC2)C1 815058758 SENKMXUQVYWMQH-GUYCJALGSA-N 272.367 3.697 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 571606464 VVEHDYUDYSOIAC-YJBOKZPZSA-N 295.467 3.815 30 20 CHED CCCCC[C@H]1CCCN1CCCSCC#N 486815229 YLTHCZUYVLIZFG-AWEZNQCLSA-N 254.443 3.678 30 20 CHED CCCC(Cc1ccccc1)=NNc1ccccn1 727254731 XYLRKYLULABMPD-UHFFFAOYSA-N 253.349 3.892 30 20 CHED C=CCCNCc1cc(Cl)c(OCCC)c(OC)c1 657582229 HYTVWBUANIAEEA-UHFFFAOYSA-N 283.799 3.803 30 20 CHED CC1(C)Cc2cc(/C=C\c3ncccc3C#N)ccc2O1 486081289 YMTQMKKMEGXWFT-ALCCZGGFSA-N 276.339 3.837 30 20 CHED Cc1ccc(C)c(NC(=O)CSCC2(C#N)CCC2)c1 570188656 FXIIJEBZEKBZOQ-UHFFFAOYSA-N 288.416 3.669 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1 728797232 YFYVRGLBMQRXEI-UHFFFAOYSA-N 291.137 3.622 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C)c1ccc(C#N)cc1 820195647 WLRPKKDZGCDFSO-GFCCVEGCSA-N 257.333 3.765 30 20 CHED CC(=NNC1CCCC1)c1oc2ccccc2c1C 727651831 BRIUAIYXOGJZNI-UHFFFAOYSA-N 256.349 3.997 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(C(=O)O)cc1)C2=O 729151288 QGUVOQFZWSJXMK-NTEUORMPSA-N 278.307 3.516 30 20 CHED C[C@@]1(CC(=O)Nc2ccc(CC#N)cc2)CC1(Cl)Cl 822226691 DGOKGHIMTXUCTE-CYBMUJFWSA-N 297.185 3.665 30 20 CHED CCc1oc2ccccc2c1/C=C\C(=O)c1cnn(C)c1C 588397252 KCFHJEULUITQES-KTKRTIGZSA-N 294.354 3.933 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)C(C)C 824866330 YIUFMOLRTRNCQX-LSDHHAIUSA-N 264.413 3.561 30 20 CHED CCc1cccc2c(C=NNC3CCCC3)c[nH]c12 727651909 DEBXASJUYASQJM-UHFFFAOYSA-N 255.365 3.596 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1ccncc1 588386380 LZHJKUILUDBVSK-PLNGDYQASA-N 275.254 3.579 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(CC#N)CC1 583246647 ZLTGYTBHLMSSOI-JKSUJKDBSA-N 291.439 3.538 30 20 CHED N#Cc1cccc(OCCOC(=O)/C=C/C2CCCCC2)c1 735566098 WFPQHVWUSLMROY-MDZDMXLPSA-N 299.370 3.617 30 20 CHED COc1ccc([C@H](CCC#N)NCc2cncc(C)c2)cc1 581051587 PNIJSEDOAQOYLF-SFHVURJKSA-N 295.386 3.533 30 20 CHED C=CCOc1ccccc1C(=O)N(CC)C[C@@H](C)CC 490870566 HWFXJVSLMYDDMF-AWEZNQCLSA-N 275.392 3.760 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C)C(F)(F)C1 494212133 KMZLMCOIXOUADL-RYUDHWBXSA-N 264.319 3.596 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@](C)(C#N)C(C)(C)C 904179211 DRARUZKAWBFALN-QGZVFWFLSA-N 290.407 3.944 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCC[C@@H](C)C1 580614520 LIPWIMBHXXXOQU-GDBMZVCRSA-N 299.418 3.774 30 20 CHED C[C@H](C(=O)OCc1ccc(F)cc1C#N)c1ccsc1 738828385 NXGDRJOXJPRUQO-JTQLQIEISA-N 289.331 3.606 30 20 CHED C[C@@H](Nc1cc(C#N)ncn1)c1ccc(F)c2ccccc12 588854830 YRFRUPXEVFIFDA-LLVKDONJSA-N 292.317 3.814 30 20 CHED CCO[C@H](c1noc(-c2cccc(CC#N)c2)n1)C(C)C 904117513 RJZICAXIDSZKNO-AWEZNQCLSA-N 285.347 3.536 30 20 CHED CCc1nocc1/C=C1/CCc2ccc(C)cc2C1=O 834430481 OZEWIVJWIRLPKC-LCYFTJDESA-N 267.328 3.758 30 20 CHED C[C@H]1CC[C@H](C)C(=NNc2nncc3ccccc23)C1 834921755 VJJYDOPJIACUIA-RYUDHWBXSA-N 268.364 3.854 30 20 CHED C[C@H]1CC[C@@H](C=NNc2cc(C(F)(F)F)ccn2)C1 834984646 XGYVOBUFCROEST-VHSXEESVSA-N 271.286 3.934 30 20 CHED N#Cc1ccccc1-c1cc(C2CC2)nn1[C@@H]1CCCCO1 904776672 JSLHLUVTLTVPQM-SFHVURJKSA-N 293.370 3.998 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCc1cccc(C#N)c1 734057548 ZVEVYSJHSRBKAU-ZDUSSCGKSA-N 271.360 3.818 30 20 CHED Cc1ccc(C)c(OC(=O)[C@@]2(C#N)CC23CCCC3)c1 839209849 LRDJCCQCBOAOHE-KRWDZBQOSA-N 269.344 3.683 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)COc2ccc(F)cc21 731565564 UFZXGDJUYDKXRQ-RMKNXTFCSA-N 290.240 3.763 30 20 CHED COc1ccc(Cl)cc1NC(=O)CCCCCC#N 588147818 XTGQYCTZUPZJIL-UHFFFAOYSA-N 280.755 3.761 30 20 CHED CC[C@@H](N[C@H]1COCc2ccccc21)c1cccc(C#N)c1 903025887 VPYKSQGTRGOZJA-MOPGFXCFSA-N 292.382 3.870 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1cncc(F)c1 737429901 HBCRIYREHYNTHM-UHFFFAOYSA-N 283.350 3.936 30 20 CHED CN(Cc1ccc(F)cc1F)c1c(F)cc(C#N)cc1F 581779641 YKGRXHHMNDTIMR-UHFFFAOYSA-N 294.251 3.751 30 20 CHED C#CCN(C)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 836719086 LUEHIEANLBLPBM-UHFFFAOYSA-N 294.395 3.813 30 20 CHED C#CC[C@H](N[C@H](CC)c1ccncc1)c1ccccc1 834692469 CBTOANHEYUQARY-MSOLQXFVSA-N 264.372 3.887 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2OCC(C)C)n(C)n1 834441652 QDWAKTBCDKPKCW-KTKRTIGZSA-N 298.386 3.659 30 20 CHED C=C(C)C[C@H](N[C@H](C)CC(C)(C)c1ccccc1)C(=O)O 901680372 WWBABJGDJDFVTR-ZBFHGGJFSA-N 289.419 3.752 30 20 CHED C=CC[C@H](NC(=O)/C=C/c1cccs1)c1ccncc1 734235191 YHZIADNRZGOYKK-LFAOLKIESA-N 284.384 3.590 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)c1cccc2ccccc12 737029554 DPMVGLRFQOUJBP-LBPRGKRZSA-N 288.778 3.953 30 20 CHED COc1ccc(O)c(/C=N\CC2(c3cccc(F)c3)CC2)c1 739424996 AICCQKSLOKXITJ-JAIQZWGSSA-N 299.345 3.691 30 20 CHED C[C@H](NN=C1CCC[C@H](C(F)(F)F)C1)C(F)(F)F 834998981 ZZIBBKBAYVKIMP-BQBZGAKWSA-N 276.224 3.635 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H]2NCC[C@H]2C1 831706084 PUKRGCPNSBNBGR-DLBZAZTESA-N 294.483 3.728 30 20 CHED CCN(CCC(F)(F)F)C(=O)CC1(C#N)CCCCC1 597015211 YHCIDFRHAALKRM-UHFFFAOYSA-N 290.329 3.651 30 20 CHED CCCCC1CCC(C(=O)OCCCC#N)CC1 916599581 VRXLQHNMLKJTDS-UHFFFAOYSA-N 251.370 3.830 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839057658 PNUMWIFXLFOHFW-OLZOCXBDSA-N 282.343 3.716 30 20 CHED CC(C)=CCCC(C)=NNc1ccc(Cl)nn1 749157058 RRJBKJZKDCNKRH-UHFFFAOYSA-N 252.749 3.664 30 20 CHED N#CCCOc1ccc(-c2ccc(N3CCCC3)nc2)cc1 592987516 VULRXLPRIYVRGZ-UHFFFAOYSA-N 293.370 3.641 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(C2CC2)cc1 598825577 WLQBFGCVULZVCP-QGZVFWFLSA-N 270.376 3.622 30 20 CHED Cc1cnc(SCCCC2(C#N)CCOCC2)c(C)c1 594916861 LJFUVSJGLFTJBE-UHFFFAOYSA-N 290.432 3.891 30 20 CHED C/C(=C\C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 917978206 IMFVDXNOTBOONA-UKTHLTGXSA-N 295.313 3.844 30 20 CHED CCSCc1cccc(NC(=O)C#Cc2ccccc2)c1 747406377 YIHIPYCFSDZRPY-UHFFFAOYSA-N 295.407 3.930 30 20 CHED COc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)cc1F 595055902 MGSLDWNLCBKRAW-CYBMUJFWSA-N 298.361 3.599 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 594085244 VMBXLXZFGRVKQI-MFKMUULPSA-N 298.308 3.727 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(Cl)nc1)C2=O 748999873 ZEOYIJCMAHXFSY-GHXNOFRVSA-N 269.731 3.866 30 20 CHED CC1(C)C[C@]1(NCCCSCC#N)c1ccccc1 595911475 XBJVFROJORDHEX-INIZCTEOSA-N 274.433 3.548 30 20 CHED C=C(C)CON=C(C[C@H]1CCOC1)c1ccc(F)cc1 844619619 HYTFBIUUNXTUTG-CYBMUJFWSA-N 277.339 3.549 30 20 CHED CC(C)CCc1ccc(NC[C@@H](O)CC(C)(C)C#N)cc1 598726214 PPKUSUXRLVTYBE-KRWDZBQOSA-N 288.435 3.988 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc(Cl)s2)n1 741764023 PFYZNLTWFJNVTM-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@@H]1CCc2ccccc21 678881350 GVRJLUCWINLYGN-ZBFHGGJFSA-N 271.404 3.968 30 20 CHED CCCC[C@H](C(=O)N(CC#N)C1CCCC1)C(C)C 598814291 CGXVFHCXFXUQOO-HNNXBMFYSA-N 264.413 3.744 30 20 CHED CC1(C)CN(c2ccnc(C#N)c2)[C@H]1c1cccs1 912162012 XNUPKWUMGTZFSE-AWEZNQCLSA-N 269.373 3.602 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCc1ccc(C(C)(C)C)cc1 847172188 KOKZZSHZTPJHBA-INIZCTEOSA-N 286.419 3.677 30 20 CHED N#Cc1nc(N[C@H](C2CCC2)C2CC2)sc1Cl 596261458 VBUGKIBXDKMZAT-SNVBAGLBSA-N 267.785 3.659 30 20 CHED CCc1noc([C@H](C)SCCc2ccc(C#N)cc2)n1 596381175 ICEIUWIVMJPRKN-NSHDSACASA-N 287.388 3.541 30 20 CHED N#CC[C@H](CC(=O)N1CC[C@H](C2CCC2)C1)c1ccccc1 591125742 OYWLKHDPBZWOFT-MSOLQXFVSA-N 296.414 3.723 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc3cc(O)ccc3c2)cn1 748999464 AHEWXADIFVCYJD-FPYGCLRLSA-N 292.338 3.658 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H](C1CCCCC1)C1CCC1 592080119 OALYFHYVNNSANL-CJNGLKHVSA-N 291.439 3.536 30 20 CHED C=CCCSCCNC(=O)CCc1ccc(Cl)cc1 597970437 HPWSSAWWTSESST-UHFFFAOYSA-N 297.851 3.698 30 20 CHED N#CCN(CCCCC1(C#N)CCC1)C1CCCC1 929684336 DHFOCBBLUPVVQV-UHFFFAOYSA-N 259.397 3.619 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cc(-c2ccccc2)no1 925429783 IUYZRCICZYDVFE-QWHCGFSZSA-N 256.349 3.957 30 20 CHED C=CCN(CCCCCCN)Cc1ccc(Cl)s1 846217562 KQBPAXXFTDFMNJ-UHFFFAOYSA-N 286.872 3.909 30 20 CHED C=CCCCCNC(=O)c1cccn1Cc1ccccc1 681201102 AWBIJQRQUDQBER-UHFFFAOYSA-N 282.387 3.623 30 20 CHED Cc1cccc(Cl)c1NN=Cc1nccn1C(C)C 853354826 AFOVUJUZGQLNAV-UHFFFAOYSA-N 276.771 3.872 30 20 CHED C=CC(C)(C)CCOC(=O)CCCc1cccnc1 851300342 GOGWPPNXRCNMAH-UHFFFAOYSA-N 261.365 3.550 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N[C@](C)(C#N)C2CCCCC2)C1 753617214 JRERNCIVOAMQBI-DJJZEKFXSA-N 274.408 3.712 30 20 CHED C=C[C@H](OC(=O)Cc1c(C)nn(CC)c1C)c1ccccc1 851451596 JZZKTSKOSUWHPP-KRWDZBQOSA-N 298.386 3.533 30 20 CHED Cc1cccc(C)c1NC(=S)NN=C/C=C/c1ccco1 920362281 UJWBKLIUBBWIBF-LMGJMYKPSA-N 299.399 3.882 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 755324707 AEBGBKZSSJCZSM-QWHCGFSZSA-N 258.365 3.574 30 20 CHED Cc1cc(C=NO[C@H]2CCCCO2)ccc1Br 755816554 GVVVXQKNFIDEDT-ZDUSSCGKSA-N 298.180 3.635 30 20 CHED CCC1(CC)CCN(Cc2ccc(OCC#N)cc2)C1 756024207 TVJJBAYKIPPDCW-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C[C@H]1CCC[C@H](CCON=C2CCC3(CC2)OCCO3)C1 756864611 UWCYBEVVFSAHCO-LSDHHAIUSA-N 295.423 3.893 30 20 CHED COc1cc(Cl)c(C=NOCC(F)F)cc1Cl 758910150 HUGPWYUOHTXTKH-UHFFFAOYSA-N 284.089 3.618 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(CC)s1 853002189 ILYWQCVVNBGQFP-FNORWQNLSA-N 274.389 3.813 30 20 CHED CCCCCCCCNC(=O)c1cc(C2CC2)on1 754855808 XZRXKQLXGXQWSF-UHFFFAOYSA-N 264.369 3.642 30 20 CHED C[C@H]1CC=CC[C@H]1COC(=O)c1ccc(CC#N)cc1 759752838 OPEPQHAMMULCOZ-BBRMVZONSA-N 269.344 3.512 30 20 CHED CCc1cccc2c1OCC[C@@H]2/N=C\c1cccc(O)c1O 750950204 QANCKZDAMGGGAO-VUQQOUJSSA-N 297.354 3.603 30 20 CHED C=CCC[C@H](C)N[C@H](C(=O)O)c1ccc2ccccc2c1 859810704 UXQHVCKQPRFQLY-GUYCJALGSA-N 283.371 3.910 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)Cc1ccc(F)cc1 856373960 GWEDEQMHWBVBCQ-ZDUSSCGKSA-N 277.383 3.865 30 20 CHED CC(C)c1ccc2cc(C(=O)N[C@H](C#N)C(C)(C)C)[nH]c2c1 754391862 KZPSCMCQROSJTK-MRXNPFEDSA-N 297.402 3.959 30 20 CHED CCCCCCCCCNC(=O)N1[C@H]2CC[C@H]1CC(=O)C2 853246734 RKIMHSODGNSPGU-GJZGRUSLSA-N 294.439 3.643 30 20 CHED C[C@H](OC(=O)C1[C@H]2CCCCCC[C@H]12)C(C)(C)C#N 850906525 LHEXVTKOHKTPKE-AVGNSLFASA-N 263.381 3.684 30 20 CHED COCCC(=NNc1cccc(Cl)c1)C(C)C 756820901 RAAXFSUZKYKJGT-UHFFFAOYSA-N 254.761 3.800 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1cc(F)ccc1C 853783332 KPNVNQVTBODVJI-JTQLQIEISA-N 287.787 3.947 30 20 CHED C#CC[C@@H](NC(=O)N[C@@H](C)CCC(C)C)c1ccccc1 757058325 CVWKXFDTOWJHPW-DOTOQJQBSA-N 286.419 3.875 30 20 CHED C[C@H]1CC(=NOCC(F)(F)F)c2ccsc2S1 764835264 KAWCLRWJZJPKES-LURJTMIESA-N 281.324 3.915 30 20 CHED Oc1ccccc1/C=N\[C@@H]1COc2ccc(Cl)cc21 761787324 QJDXYTUHWKDTQD-RSQQOUAVSA-N 273.719 3.598 30 20 CHED C=CCN(C(=O)[C@@H](C)OC1CCCCCC1)C(C)C 760354577 ABLFOXBKFNTBNF-CQSZACIVSA-N 267.413 3.537 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNc1ccc(C(=O)O)cn1 763367486 AIZMITVBZNWQRR-LBPRGKRZSA-N 289.379 3.784 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNCC(F)(F)C(F)(F)F)o1 863179316 GXGOEELNUQJZFH-APPZFPTMSA-N 296.239 3.524 30 20 CHED CCn1nccc1/C=C/C(=O)c1cccc(C(C)C)c1 863195911 RDGKVAZOBMPWBV-CMDGGOBGSA-N 268.360 3.923 30 20 CHED C#CC[C@H](CCOC)N[C@@H]1CC[C@@](C)(c2ccccc2)C1 862549269 YLRBEZSERHBZPD-GUDVDZBRSA-N 285.431 3.515 30 20 CHED CC#CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 764355173 ZFVXPMAHCFLKAI-QGZVFWFLSA-N 283.758 3.569 30 20 CHED Cc1cccc(C)c1CNC(=O)Nc1ccc(F)c(C#N)c1 766024602 ZDFXBQTXRAWPLY-UHFFFAOYSA-N 297.333 3.636 30 20 CHED COc1cc(OC(=O)C[C@H]2CCCC[C@@H]2C)ccc1C#N 767167449 RYIBJUYRJPIXAP-QWHCGFSZSA-N 287.359 3.689 30 20 CHED Fc1cc(Cl)c(NN=Cc2cc[nH]c2)c(Cl)c1 767910855 YACGKKOMHAMQNA-UHFFFAOYSA-N 272.110 3.907 30 20 CHED C#CCN(C(=O)N[C@@H](c1ccccc1C)C(C)(C)C)C1CC1 764736494 PKPSMQQDSOSKIP-KRWDZBQOSA-N 298.430 3.889 30 20 CHED N#Cc1ccc2[nH]cc(C=NNc3ccc(F)cc3F)c2c1 760215473 HXBMATVYMSSNNO-UHFFFAOYSA-N 296.280 3.764 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NN[C@H]1CCSC1 872374479 YIDLWMLHRDBHSX-AWEZNQCLSA-N 287.432 3.572 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)o1 772799453 COBCPRCBGXMSHW-ALCCZGGFSA-N 269.275 3.749 30 20 CHED CCc1cnccc1[C@@H](C)/N=C/c1cc(OC)ccc1O 773148211 JILZMSUMSSMMGH-ZGXHQARYSA-N 284.359 3.538 30 20 CHED C[C@@H]1C[C@H](NCc2cccc(OCC#N)c2)c2ccccc21 1117502854 CBMXFNUBPSXZKW-KUHUBIRLSA-N 292.382 3.927 30 20 CHED C=CC[C@@H](C(=O)OCC(=O)CC(C)C)c1ccccc1 778428536 SLOARWAMAFBZGQ-MRXNPFEDSA-N 274.360 3.505 30 20 CHED C[C@@H]1CCN(C(=O)CC#Cc2ccccc2)c2ccccc21 1116270651 DRZNURIGKVINDN-MRXNPFEDSA-N 289.378 3.969 30 20 CHED CCc1ccc(C=NNc2nccnc2C(C)C)s1 773090991 LPVRBUCCAIQICG-UHFFFAOYSA-N 274.393 3.670 30 20 CHED C[C@H](CCC#N)CN1CCC(c2ccc(N(C)C)cc2)CC1 877424426 XJIVDMGJQBZXNT-MRXNPFEDSA-N 299.462 3.872 30 20 CHED C#CCCCCCC(=O)N1CCc2cccc(CC)c21 779881687 MBWXBROIMLMXRX-UHFFFAOYSA-N 269.388 3.722 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 878584212 QZTBDNIWGQEYNT-OAHLLOKOSA-N 287.403 3.613 30 20 CHED CCCCOc1ccc(C(=O)OCCC(C)(C)C#N)cc1 776357875 UVONTKPREAEKKX-UHFFFAOYSA-N 289.375 3.962 30 20 CHED N#Cc1ccc(COc2ccc(N3CCCC3)cc2)s1 1119603272 NIBWDTYNGQTGMZ-UHFFFAOYSA-N 284.384 3.799 30 20 CHED CC[C@@H]1CCCCC1=NN=c1cc[nH]cc1Cl 779774454 GERGQOLKWBBALS-SNVBAGLBSA-N 251.761 3.525 30 20 CHED Cc1cscc1C(=O)O[C@@H](C#N)C1CCCCC1 776393256 DDLWXEJTHDXPFA-ZDUSSCGKSA-N 263.362 3.686 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1coc2cc(F)ccc12 776394064 QYCMSKYYIGTGAJ-UHFFFAOYSA-N 289.306 3.597 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2nc(Cl)cs2)cc1F 776727308 VLYHZYXZEUNFDZ-ONEGZZNKSA-N 292.722 3.703 30 20 CHED N#CCOc1ccc(Cn2nc(Cl)c3ccccc32)cc1 775679601 MNMNDEDLNLOVDU-UHFFFAOYSA-N 297.745 3.640 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C)c(C(C)=O)c1 880623357 UEPIWCLBKWZVEP-UHFFFAOYSA-N 259.349 3.738 30 20 CHED CC(C)(C)c1ncc(C=NOCCC(F)(F)F)s1 777458462 IEXOZCXOOUEZHR-UHFFFAOYSA-N 280.315 3.744 30 20 CHED C=C(CNCc1cccc(Cl)c1O)c1ccccc1 776089547 UTMCSRDBICKBLI-UHFFFAOYSA-N 273.763 3.849 30 20 CHED C=CCCC[C@H](N[C@@H](C)CCCO)c1ccccc1 883197158 DTWYLEUPIAFABS-RDJZCZTQSA-N 261.409 3.835 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)/C=C/c1ccccc1C#N 1120813627 IUJQCYLYLODBMV-FMQWLBJXSA-N 280.371 3.529 30 20 CHED COc1cc(C#N)ccc1OC[C@@H]1CC(C)(C)OC1(C)C 882028035 JXHITZMFTWSTCB-ZDUSSCGKSA-N 289.375 3.539 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(N3CCCCC3)c(F)c2)C1 883372008 IHIQALCVVYXDKJ-KBPBESRZSA-N 287.382 3.920 30 20 CHED CSc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)co1 1127021702 UYEILJVGCAVDAC-JTQLQIEISA-N 287.340 3.791 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1-c1ncco1 889012908 RTFWHSXIQPVQMO-UHFFFAOYSA-N 285.347 3.675 30 20 CHED CC(C)(C#N)COC(=O)c1cc2cccc(Cl)c2o1 783124461 NNDDQXCRFAMCGS-UHFFFAOYSA-N 277.707 3.793 30 20 CHED C=C(C)CCC(=O)Oc1ccccc1OC(F)F 1120947361 ILEOKOQQYYBRIK-UHFFFAOYSA-N 256.248 3.550 30 20 CHED CCCCC[C@H](NC(=O)N1CC[C@](F)(C#N)C1)C(C)(C)C 786122577 UMNAMCKFMMZSDG-BBRMVZONSA-N 297.418 3.629 30 20 CHED C=C(C)CCC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 1120660369 PHLQLLFADBSDGO-GOSISDBHSA-N 299.414 3.723 30 20 CHED Clc1ccccc1[C@@H]1CCCC1=NN[C@H]1CCCOC1 780262293 YXCZSNOVOPWUEQ-JSGCOSHPSA-N 292.810 3.732 30 20 CHED CCC[C@@H](C(=O)[C@@H](C#N)c1nccn1CC)c1ccccc1 1123234181 RNIXMRPYMQQQGQ-HZPDHXFCSA-N 295.386 3.663 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(C#N)cn2)c2ccccc21 783294154 MRXZBBFLXDYJKS-ACJLOTCBSA-N 277.371 3.681 30 20 CHED CC[C@H](C#N)OC(=O)c1c(C)[nH]c2ccc(Cl)cc12 781198113 RABVNSJINDXUFX-SNVBAGLBSA-N 276.723 3.589 30 20 CHED CC[C@@H]1CCC[C@H](C=NN[C@H]2CCOC(C)(C)C2)C1 780252537 JWQDQLNURKEHRU-ILXRZTDVSA-N 266.429 3.736 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)NCC1(C)CC1 782974473 RQEQOIZZPBVQMN-UHFFFAOYSA-N 288.391 3.506 30 20 CHED CCCOc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 783292880 CUIGTCUUXVMPBF-CQSZACIVSA-N 295.386 3.593 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 896506244 RKKHVMFJBVNWSO-SECBINFHSA-N 274.311 3.502 30 20 CHED COc1cc(C)c(C(C)=NNc2ccccn2)cc1C 783805893 YPDIREQPQWAVBR-UHFFFAOYSA-N 269.348 3.543 30 20 CHED CCc1onc(C)c1/C=C1\Cc2ccc(C)cc2C1=O 899356417 YQFRRYOXSOVUQD-UKTHLTGXSA-N 267.328 3.676 30 20 CHED C=C1CCC(C(=O)N2CC(Cc3ccccc3C)C2)CC1 896901801 OKWWFHBTWXYYEF-UHFFFAOYSA-N 283.415 3.742 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNC(=S)Nc2cccnc2)C1 783799522 PELMMHMRGSZMIC-CHWSQXEVSA-N 290.436 3.570 30 20 CHED CCC(=NNc1cc(C)ccn1)c1cccc(F)c1 783521039 NTQBNZSKWNDVMM-UHFFFAOYSA-N 257.312 3.755 30 20 CHED CC1(C)C[C@H](NN=C/C=C\c2ccc(F)cc2F)CCO1 780249317 CZDOANNNXGXEEV-PXPVZMOUSA-N 294.345 3.511 30 20 CHED C[C@H]1CCC(=NNc2cccc([N+](=O)[O-])c2)[C@H](C)C1 783784429 CTXNNLGYHSMHTH-WDEREUQCSA-N 261.325 3.819 30 20 CHED Cc1ccc(F)cc1COC(=O)c1ccccc1CC#N 782250780 WEGDVYCHBQUNJP-UHFFFAOYSA-N 283.302 3.557 30 20 CHED C=CCCCc1nc(-c2cc3c(nc2O)[C@H](C)CCC3)no1 896767583 JZPBESVNJFUWSD-LLVKDONJSA-N 299.374 3.786 30 20 CHED Cc1ccc(NCc2ccc(F)c(C#N)c2)cc1C 83399073 SXOHCQOADFBMIQ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1ccccc1-c1noc(-c2ccccc2OCC#N)n1 794663590 ORELFOOFIXZQEF-UHFFFAOYSA-N 291.310 3.614 30 20 CHED Fc1cc(C=NNc2cccc(Cl)n2)cc(F)c1F 793181203 LMKDVGHNDQHDGH-UHFFFAOYSA-N 285.656 3.598 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(-c2ccccc2)cc1 513962316 VJPMGILJVDFGMF-OAHLLOKOSA-N 264.372 3.945 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc2occc2c1 794937221 WAIKZGPXVADOCW-HNNXBMFYSA-N 256.349 3.935 30 20 CHED C=CCNN=Cc1ccc(OCc2ccccc2F)cc1 794999014 SJJKEBBQLRRICB-UHFFFAOYSA-N 284.334 3.514 30 20 CHED Cc1ccc(COC(=O)c2ccc(C(C)(C)C#N)cc2)nc1 796036113 LSPOZDLCEQFFNC-UHFFFAOYSA-N 294.354 3.548 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc(SC(F)F)cc1 796877730 JOQMGWOHCJQMEX-AWEZNQCLSA-N 299.342 3.984 30 20 CHED C#CCCCNC(=O)c1ccccc1Oc1cccc(C)c1 799343431 GSVZWZVDOGTKTO-UHFFFAOYSA-N 293.366 3.931 30 20 CHED Fc1cc(NN=C2CCC[C@@H](c3cccnc3)C2)ccn1 799884203 HRYXKGMSYMMWKC-GFCCVEGCSA-N 284.338 3.741 30 20 CHED C#C[C@@H](NC(=O)N(CCC)[C@@H]1CCc2ccccc21)C(C)C 798557078 PBDALODCIYTUIW-QZTJIDSGSA-N 298.430 3.753 30 20 CHED N#Cc1cc(F)c(N[C@@]23CCC[C@@H]2C3)cc1Br 822076685 WLVWZRUPTCTABE-NOZJJQNGSA-N 295.155 3.814 30 20 CHED O=C1/C(=C\c2ccsc2)COc2cc(F)ccc21 794726317 BFXJAOLGKRKBKD-YHYXMXQVSA-N 260.289 3.546 30 20 CHED CSc1cccc(COC(=O)c2ccc(C#N)cc2)c1 797034481 DEWMOXHMERECPS-UHFFFAOYSA-N 283.352 3.637 30 20 CHED Cc1cc(C)c(/C=C2\CCc3nn(C)cc3C2=O)c(C)c1 794962703 VHBGJVFUBHPTDC-NTEUORMPSA-N 280.371 3.558 30 20 CHED CC[C@H](C)NN=Cc1c(-c2ccccc2)nc2sccn12 790184493 WNOYXCZXAYTMDG-LBPRGKRZSA-N 298.415 3.785 30 20 CHED Fc1ccc(C(C[C@@H]2CCOC2)=NOC2CCC2)cc1 793056071 RQQMIZLSKWKZBQ-LBPRGKRZSA-N 277.339 3.526 30 20 CHED C=CCCCN1CCCC[C@@H]1[C@H](O)c1ccccc1 735490076 CEUPLCBEIKMNTI-IAGOWNOFSA-N 259.393 3.541 30 20 CHED COc1cc(C=NNc2cccc(Cl)c2)ccc1C#N 799465904 REQRKVBVIFQZNC-UHFFFAOYSA-N 285.734 3.666 30 20 CHED CC[C@@H](C)CON=C(C)c1cc([N+](=O)[O-])ccc1C 793160892 XGZYNDCYSWWCTC-SNVBAGLBSA-N 264.325 3.690 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1 195428714 VRHLKCJOTCILQG-UHFFFAOYSA-N 272.254 3.748 30 20 CHED Fc1cccc(NN=CCSCc2ccccc2)n1 795008908 SPMFCNIMTDADAU-UHFFFAOYSA-N 275.352 3.552 30 20 CHED C=CCCSCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 595059459 OXNKIPTVOGYJPA-HNNXBMFYSA-N 294.420 3.945 30 20 CHED Cc1c(Cl)cccc1Oc1ncc(C#N)cc1F 1163873344 JFNDJNCBHKTEMB-UHFFFAOYSA-N 262.671 3.847 30 20 CHED CCc1nc(C#N)cc(N2CCCC[C@@H]2CCC(C)C)n1 1162812807 RVCKXHBCSVXONY-OAHLLOKOSA-N 286.423 3.706 30 20 CHED C[C@H]1[C@H](C)CCN1c1c(C#N)cnc2c(Cl)cccc12 1162717615 MWIPOEMIHALRQI-MNOVXSKESA-N 285.778 3.995 30 20 CHED C[C@H]1CCc2nc(C=NOCCC(F)(F)F)sc2C1 1327800093 HOPQDUSQAUMDJS-QMMMGPOBSA-N 292.326 3.571 30 20 CHED C#CCCOC(=O)N[C@@H](C)c1ccccc1C(F)(F)F 1328820219 SDUFEYHTADKNHD-JTQLQIEISA-N 285.265 3.516 30 20 CHED CCCCCC[C@@H](C)CC(=O)OCc1ccc(C#N)cn1 1326397518 UXVHYXNUNAGSSF-CQSZACIVSA-N 288.391 3.993 30 20 CHED CC[C@H](NC(=O)CC#Cc1ccccc1)C1CCCCC1 1323871471 AVVRJURVZOCXLQ-SFHVURJKSA-N 283.415 3.903 30 20 CHED COc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1Br 1321355676 TVMFHJADQNJJNY-NXEZZACHSA-N 295.180 3.562 30 20 CHED CC[C@H](c1ccccc1)N(CC)c1ccnc(C#N)c1 1185108086 UUFHUKZBVYEHTD-QGZVFWFLSA-N 265.360 3.931 30 20 CHED C=C1CCN(C(=O)c2[nH]c3ccc(C)cc3c2Cl)CC1 1251716892 KHOKDEZHPQTLGY-UHFFFAOYSA-N 288.778 3.922 30 20 CHED Cc1ccc(CCNC(=O)Nc2ccc(C#N)cc2)cc1C 1184762937 LUOUDAHMEDOJDG-UHFFFAOYSA-N 293.370 3.539 30 20 CHED C=C(C)CCC(=O)N1CCc2ccccc2[C@@H]1CC 1336966338 ZIQCFKTWKBHAOW-INIZCTEOSA-N 257.377 3.879 30 20 CHED C#Cc1ccc(N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)nc1 1262690506 CXFUUSHGPYEGKG-DLBZAZTESA-N 296.345 3.534 30 20 CHED CC(C)[C@H](OC(=O)c1csc(C#N)c1)c1ccccn1 1343483440 FZUKVTRMBCHZJB-AWEZNQCLSA-N 286.356 3.569 30 20 CHED N#Cc1cc(F)ccc1CN(c1ccccc1)C1CC1 1194369232 LYXFQLJOMJCGED-UHFFFAOYSA-N 266.319 3.866 30 20 CHED C=C(CC)C(=O)N1CC[C@H](C)C[C@H]1c1ccc(C)o1 1351501348 MQCQYGYEODLDAQ-FZMZJTMJSA-N 261.365 3.854 30 20 CHED C=C(Cl)COC(=O)c1csc2ccccc12 809099137 KYUDCQGRTSACAR-UHFFFAOYSA-N 252.722 3.811 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccccc1CC#N 1355940829 WKDXUTTZYDOPJF-QAPCUYQASA-N 298.430 3.722 30 20 CHED C[C@@H](NCc1cccn1C1CC1)c1cccc(C#N)c1 1353048364 NHYPBZZSNDABII-CYBMUJFWSA-N 265.360 3.545 30 20 CHED C=C(C)CCC(=O)Nc1cc(C(C)=O)ccc1Cl 1354838836 ADVUTMNTWDQCKT-UHFFFAOYSA-N 265.740 3.837 30 20 CHED N#CCc1cccc(C(=O)O[C@H]2CCc3cc(F)ccc32)c1 1457406213 LNCKEQPZXRHXIU-KRWDZBQOSA-N 295.313 3.736 30 20 CHED Cc1ccc(F)c(NCc2cccc(C#N)c2F)c1 221914772 OQDIJROSVWEOIP-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=C(CC)C(=O)N(Cc1cccnc1)Cc1ccccc1C 1527484016 UWBLMGNMNVYFQS-UHFFFAOYSA-N 294.398 3.885 30 20 CHED CCCC[C@@H](CC)CC(=O)N(C)c1snc(C)c1C#N 1525008916 WOVNWTOKOPXXMP-GFCCVEGCSA-N 293.436 3.893 30 20 CHED N#CC1(CCCCNC2(C(=O)O)CCCCCC2)CCC1 1601053855 ABIZXHXDUKQOGC-UHFFFAOYSA-N 292.423 3.618 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1536443675 JRCJJIIPYYLJGR-INIZCTEOSA-N 282.318 3.578 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc(C(=O)O)co1 1604326938 VBEPQPNYEISCOO-IUODEOHRSA-N 298.342 3.673 30 20 CHED CCC[C@H](NC(=O)Nc1ccc(C#N)cc1)C(C)(C)C 1464910806 LODQZHCMYBEAHB-AWEZNQCLSA-N 273.380 3.895 30 20 CHED COC1(CNc2ccc(C(F)(F)F)cc2C#N)CCC1 227304305 CFPSZYWZODCASW-UHFFFAOYSA-N 284.281 3.558 30 20 CHED Cc1ccc(O)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 1557939418 FWNLSSSXENUGHC-UHFFFAOYSA-N 294.354 3.754 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 1560884791 HLQBWSXXVSZHQU-HZPDHXFCSA-N 272.392 3.871 30 20 CHED C#CCCCCC(=O)Nc1cccc2ccc(C)nc12 120080010 RBFVWVIXAFWMBV-UHFFFAOYSA-N 266.344 3.675 30 20 CHED C[C@H]1Oc2ccccc2[C@@H]1Nc1nc(C#N)c(Cl)s1 1651118048 HYAMBANPCOHFFP-RDDDGLTNSA-N 291.763 3.602 30 20 CHED Cc1nc(C#N)cc(N2C[C@@H](C)CC[C@H]2c2ccccc2)n1 1655465495 ZAEBWNVASUHMJS-GUYCJALGSA-N 292.386 3.634 30 20 CHED C=C(Br)CN[C@@H]1CCCC[C@@H]1CCC 1654232024 RKLPJEBRVIUWIK-NWDGAFQWSA-N 260.219 3.844 30 20 CHED CCc1ccccc1CNC(=O)Nc1cc(F)cc(C#N)c1 1664072499 ZLBZEFGLPYRRNL-UHFFFAOYSA-N 297.333 3.581 30 20 CHED CCC[C@@H](NC(=O)NCc1cccc(C#N)c1)C1CCCC1 1675351012 KEBIDSDAGZKTNA-QGZVFWFLSA-N 299.418 3.716 30 20 CHED CC(C)CC1CCN(C(=O)Nc2sccc2C#N)CC1 1671449318 FSRFUTXOJDHJMQ-UHFFFAOYSA-N 291.420 3.910 30 20 CHED C=CCCCCCOc1ccc2c(c1)NC(=O)CC2 232587102 RRKDXTYABRTAGK-UHFFFAOYSA-N 259.349 3.697 30 20 CHED C[C@@H]1/C(=C\c2cccc(C(=O)O)c2F)C(=O)c2ccccc21 1777408028 SYHGTCQGULMMID-CNOAHFENSA-N 296.297 3.907 30 20 CHED CC(C)ON=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1 1776077617 JSDBCPQEAKSJBA-UHFFFAOYSA-N 283.327 3.811 30 20 CHED O=C(O)c1cc(NN=C2C[C@@H]3CCCC[C@H]3C2)ccc1F 1776064622 WTHKMCAMYBIUTJ-QWRGUYRKSA-N 290.338 3.892 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3cc(F)ccc32)c(F)c1 134222876 DCYAWXDEQFOUQS-OAHLLOKOSA-N 270.282 3.936 30 20 CHED C=C(CNc1ccc(C#N)cc1F)c1ccccc1 134370546 DJRSRZZDFVPILG-UHFFFAOYSA-N 252.292 3.823 30 20 CHED C=CCN(C)C(=O)c1ccc(OC2CCC2)cc1Cl 161484716 DCHAHXZACRFTSK-UHFFFAOYSA-N 279.767 3.529 30 20 CHED CN(Cc1ccc(Cl)s1)Cc1ccc(C#N)s1 162777235 JVNCKAFTVPRNJZ-UHFFFAOYSA-N 282.821 3.967 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@H]2C=CCCC2)cc1 158031984 AVLQMEVPJGUJII-AWEZNQCLSA-N 283.375 3.718 30 20 CHED N#CCCN(CCC#N)Cc1ccccc1OC1CCCC1 152831422 LPVGGERWMKPUGE-UHFFFAOYSA-N 297.402 3.637 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H](C)c1c(C)noc1C 155636704 OIOUVKSTYBLOJQ-ZDUSSCGKSA-N 292.423 3.990 30 20 CHED CCOc1cc(Cl)ccc1NC(=O)N[C@@H](CC)CC#N 156193790 IICWFBSHHUIPNX-NSHDSACASA-N 295.770 3.552 30 20 CHED CC[C@@H](c1ccc(F)cc1F)N1CCC(C#N)CC1 154501370 TXIUCFCCWNKSKA-HNNXBMFYSA-N 264.319 3.651 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccnc(Cl)c1Cl 908395990 CJCOJPRAWCLGPR-UHFFFAOYSA-N 287.190 3.721 30 20 CHED C=CCC(C)(C)CNC[C@@H](O)c1cccc(Cl)c1 819331149 LRMHVGFMRBHMNK-CQSZACIVSA-N 267.800 3.565 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccccc1O 37748728 ZAOPCHAGGXWZIN-INIZCTEOSA-N 266.344 3.505 30 20 CHED N#C[C@@H](NC(=O)c1cc(Cl)ccc1F)C1CCCCC1 40360367 OFYWRDRSMGETQO-CQSZACIVSA-N 294.757 3.681 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCCC2(F)F)c1 308214031 YHCFZIKEZNXDDX-ZDUSSCGKSA-N 278.302 3.631 30 20 CHED C#CCCCNc1cc(Cl)c(OC)c(Cl)c1 309879686 UYAGPCLWTSDPBK-UHFFFAOYSA-N 258.148 3.827 30 20 CHED CSc1ccccc1C(=O)Nc1cccc(CC#N)c1 313520984 QEUOVNJABLQGOH-UHFFFAOYSA-N 282.368 3.727 30 20 CHED CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)C1CC1 324167442 NYRYACUNZASIOM-JTQLQIEISA-N 269.270 3.573 30 20 CHED C[C@@H](NCCCC#N)c1ccc(Br)c(F)c1 336736314 IRHHYYQHSMBYNU-SECBINFHSA-N 285.160 3.543 30 20 CHED CC(C)CC[C@@H](NCCc1cccc(C#N)c1)C1CC1 573581981 ZQBNSJHSAVJTPO-GOSISDBHSA-N 270.420 3.905 30 20 CHED C=C(C)CN(CC)CC[C@H](C)OCc1ccccc1 475050580 BVOYZAZFPWMZPU-INIZCTEOSA-N 261.409 3.880 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H](C)C1 361872522 HOYRXVNDHURLJN-OLZOCXBDSA-N 260.356 3.565 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Cl)nc2ccccc12 393819643 NFMRVUPGFFPVBH-NSHDSACASA-N 288.778 3.973 30 20 CHED N#Cc1ccc(SCCOc2ccccc2)cc1 105362295 JQYCRJWPJBDQBQ-UHFFFAOYSA-N 255.342 3.729 30 20 CHED N#CCCN(CCC#N)Cc1ccc(Cl)c2cccnc12 104066891 RDCXXMNGZAQMAY-UHFFFAOYSA-N 298.777 3.518 30 20 CHED C#C[C@@H](C)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 174445697 PGCVUACWJXVMFX-OLZOCXBDSA-N 282.339 3.517 30 20 CHED Cc1cc(CNc2nc(C)c(C#N)cc2Cl)ccc1F 461737957 MPBAKVIISQPNRQ-UHFFFAOYSA-N 289.741 3.975 30 20 CHED CCn1cc(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)cn1 179451954 XVCZLOFBRINHLI-AAWHYMEISA-N 266.344 3.595 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)c1sccc1C#N 52036271 MCYFBTWFPYIGNR-OAHLLOKOSA-N 296.395 3.906 30 20 CHED Cc1cccc(C)c1OCCC(=O)Nc1cccc(C#N)c1 20261421 SITYKDNVVBBXAG-UHFFFAOYSA-N 294.354 3.583 30 20 CHED Cc1ccc(CC(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 175754208 QRHYZLZZVJDOGW-AWEZNQCLSA-N 279.339 3.714 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)NCc2cccc(C#N)c2)CC1 114822165 YAKXJMOMWKBSBO-QGZVFWFLSA-N 299.418 3.526 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccco1 66802109 FAFBPMKNFRJFLN-LLVKDONJSA-N 286.356 3.926 30 20 CHED CCSc1cc(C(=O)Nc2cc(C#N)ccc2C)ccn1 63962479 BUWFQCFJVXDAOY-UHFFFAOYSA-N 297.383 3.626 30 20 CHED C=C(C)COC(=O)c1csc(Cc2ccccc2F)n1 172236856 ONUBQSJDAMSLBU-UHFFFAOYSA-N 291.347 3.606 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(c3ccccc3C)CC2)c1 171194884 CKTFADYBEIVDGL-UHFFFAOYSA-N 289.378 3.671 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(Cl)ccc1F 116998252 NFLZJKBXUNFLDC-QMMMGPOBSA-N 256.708 3.565 30 20 CHED Cc1c(C#N)c(S[C@@H](C)c2cccnc2)nc2c1CCC2 60427601 OQJAJAVUXHFESG-LBPRGKRZSA-N 295.411 3.999 30 20 CHED C=CCCCCCN(C)Cc1c(CC)noc1C 119350046 PWJJEBGJWBCABQ-UHFFFAOYSA-N 250.386 3.724 30 20 CHED CCCCN(C(=O)c1cc(C#N)c[nH]1)[C@H](C)c1ccccc1 175468104 ZLIBLQDEFFHWJI-CQSZACIVSA-N 295.386 3.890 30 20 CHED CCOc1ccc(OCC)c(NCc2cccc(C#N)c2)c1 20826835 FGQNJXLKUNLORI-UHFFFAOYSA-N 296.370 3.968 30 20 CHED C=CC[C@@H](C)NC(=O)c1csc(-c2ccc(F)cc2)n1 116857981 AVAYKUMWIUHTCD-SNVBAGLBSA-N 290.363 3.644 30 20 CHED C[C@H](C/N=C(/N)Nc1ccccc1)Sc1ccccc1 304262664 CIDJLZFIZACLPG-CYBMUJFWSA-N 285.416 3.594 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1cc2ccccc2o1 178941642 TTZSESYFTOXPPL-CMDGGOBGSA-N 288.306 3.977 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1ccccn1)c1ccc(Cl)s1 175099372 GSQSGTYPVRQGIU-VHSXEESVSA-N 290.775 3.776 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2nnc(C)c(C)c2C#N)c1 301478510 XQFXGHSJUWMWSP-ZDUSSCGKSA-N 294.402 3.625 30 20 CHED CCN(C(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 174077073 FKAHZZCZAGVIHS-UHFFFAOYSA-N 264.328 3.533 30 20 CHED C[C@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 178482997 SMZVXLAPTSOQAW-NEPJUHHUSA-N 288.416 3.923 30 20 CHED CC(C)Sc1ccc(C(=O)OCCCC#N)cc1 62393109 MBAJSLAQMRYPAS-UHFFFAOYSA-N 263.362 3.648 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H](C)c1cccc(Cl)c1 126819971 APJSGVZNUJIULD-QWRGUYRKSA-N 283.824 3.825 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)C2CCCCC2)cc1 213482369 HLWTWNSKZTZTSQ-FLIBITNWSA-N 258.317 3.547 30 20 CHED C#Cc1cccc(NC(=O)NC2(Cc3ccccc3)CC2)c1 186023987 YRDKWLIIMXIEJR-UHFFFAOYSA-N 290.366 3.565 30 20 CHED N#Cc1cccc(CN[C@H]2CCCOc3cc(F)ccc32)c1 181034596 RURQAGAALFFUQA-KRWDZBQOSA-N 296.345 3.701 30 20 CHED CN(CCCCC#N)Cc1ccc(C(F)(F)F)cc1 71016093 HLPVEFIKKMMRMO-UHFFFAOYSA-N 270.298 3.831 30 20 CHED C=C(C)CN(CC)CC(=O)Nc1ccccc1C(C)C 120119874 AADOAGWWXYCCRP-UHFFFAOYSA-N 274.408 3.647 30 20 CHED C=CC[C@H](C)N[C@H]1CCCc2nc(CC)sc21 180954770 RNCGELYSZPRCQY-QWRGUYRKSA-N 250.411 3.637 30 20 CHED CCCCc1ccc(CC(=O)N(CCC#N)CC2CC2)cc1 505181726 JKXBCWKXXVBBFE-UHFFFAOYSA-N 298.430 3.724 30 20 CHED CCCC(=O)Nc1ccc(C/N=C/c2ccccc2O)cc1 127936264 CWNDVFDCHBZCDR-CPNJWEJPSA-N 296.370 3.750 30 20 CHED C=CCC1(C(=O)NCc2cnccc2C(C)(C)C)CCC1 412561566 FEPLUFREFANHIY-UHFFFAOYSA-N 286.419 3.742 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@@H](C)c1ccc(CC)cc1 410829675 RTKFDXOVZTVONY-RHSMWYFYSA-N 286.419 3.893 30 20 CHED COc1ccccc1[C@H]1CCN(c2ccc(C#N)cc2F)C1 78021421 SFUWQJDKFSWUAJ-AWEZNQCLSA-N 296.345 3.700 30 20 CHED CCCc1cc(N2CCC(C#N)CC2)c2ccccc2n1 124331480 PIVQMXBOAOHTFW-UHFFFAOYSA-N 279.387 3.927 30 20 CHED N#CCCN(C(=O)CCc1ccccc1)c1ccc(F)cc1 72678554 MBDKXJBMGKKRIY-UHFFFAOYSA-N 296.345 3.705 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](OCC)c1ccccc1 182613523 PPNVQTDBSBCALA-GOEBONIOSA-N 275.392 3.625 30 20 CHED Cc1nc(C)c(C#N)c(SCC2CCC(F)(F)CC2)n1 412992926 VIMMLSXRBYEWTF-UHFFFAOYSA-N 297.374 3.883 30 20 CHED C=CCCC(=O)Nc1ccc2nc(C3CC3)oc2c1 79726695 ILZFZKSUJTXCCW-UHFFFAOYSA-N 256.305 3.610 30 20 CHED C=CCC[C@H](NCc1noc(CCC)n1)c1ccccc1 180040063 TUQXFGPIWDPYJI-HNNXBMFYSA-N 285.391 3.819 30 20 CHED CC#CCN[C@@H](C)c1cc2cccc(OCC)c2o1 126089203 PHGQBDNYJGDEGZ-LBPRGKRZSA-N 257.333 3.505 30 20 CHED C=CCCCN(C)CCOc1cccc(Cl)c1 522775842 BXCRMPFCRRBCNX-UHFFFAOYSA-N 253.773 3.617 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C1=CCCCC1 188141237 ODYIXPBXWOWNIN-UHFFFAOYSA-N 283.375 3.819 30 20 CHED CCc1cccc2c1OCC[C@@H]2Nc1ncc(C#N)cc1F 413100488 BYQHGEBCFVUWDZ-HNNXBMFYSA-N 297.333 3.590 30 20 CHED CN(C)CC(C)(C)CNc1ccc(C(F)(F)F)cc1C#N 36926900 RVNCPXZAUWAPGM-UHFFFAOYSA-N 299.340 3.577 30 20 CHED C[C@@H]1C[C@@]1(NCCCCC#N)c1ccc(Cl)cc1 503438078 ROPGHPPGZSVTJJ-DOMZBBRYSA-N 262.784 3.859 30 20 CHED C=CC[C@H](CC)NC(=O)CCCCc1ccc(OC)cc1 410139092 JJEMCKZQILRZMS-INIZCTEOSA-N 289.419 3.879 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3cccc(F)c3)cnc12 125215020 BUEOUHLXDAJDJM-BQYQJAHWSA-N 280.302 3.678 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2cccc(F)c2F)c1 78561374 ZFWGMFOABSEUEN-BQYQJAHWSA-N 269.250 3.733 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1cc(F)ccc1Cl 187548378 QRUGECVLQRCSKF-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C#CCSCCN[C@@H](C)c1cccc(-c2ccncc2)c1 181098069 DTCZHLXVDCCOJF-HNNXBMFYSA-N 296.439 3.766 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(O)cc1)c1ccccc1 130579245 WJOGDSQXEDUGNE-ZDUSSCGKSA-N 267.328 3.691 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2)c(C)c1 506017859 VXWIVOLRCANGOC-UHFFFAOYSA-N 264.372 3.807 30 20 CHED C=C[C@H](CCC(=O)O)NCc1cc(Cl)cc(Cl)c1 417632165 WLJYUQQRYRDZFV-GFCCVEGCSA-N 288.174 3.502 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCc2cc(Cl)ccc21 506189260 KOCNQKDPHBFTDW-XYPHTWIQSA-N 291.822 3.898 30 20 CHED C=CCc1cc(CN(CCC)C2CC2)cc(OC)c1O 180097322 MWOJNSYRMIGFCH-UHFFFAOYSA-N 275.392 3.504 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCc1ccccc1 182585001 YLXRLKWXRZFPLK-OAHLLOKOSA-N 259.393 3.870 30 20 CHED C=C(C)CCc1noc(COC/C=C/c2ccccc2)n1 508683360 ZWBASCXRVGYNFH-RMKNXTFCSA-N 284.359 3.808 30 20 CHED CC(C)C[C@@H]1C[C@H]1N[C@H]1CCc2ccc(C#N)cc21 414183179 NQQOHPDOWCIQDZ-HYVNUMGLSA-N 254.377 3.570 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1(C)C 414336341 PJCLVVUGUCYTEG-CBBWQLFWSA-N 278.440 3.641 30 20 CHED CCCCS[C@@H](C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 48733812 JKAPBFPTUKQNIU-STQMWFEESA-N 290.432 3.657 30 20 CHED Cc1c(Cl)cccc1NC(=O)c1cc(C#N)cs1 84058129 YNQWIJXMYKZXCC-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC(C)N(Cc1cc(C#N)ccc1Br)C(C)C 191819248 PNFRHYLUPIBMGZ-UHFFFAOYSA-N 295.224 3.940 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(C#N)cc1 194730776 IHRVJKPQCBSBEM-IAGOWNOFSA-N 298.430 3.822 30 20 CHED OC(C[C@@H]1CCCCO1)=Nc1scnc1C1CC1 328906049 KLLCTFAJACNXHX-JTQLQIEISA-N 266.366 3.568 30 20 CHED Cc1ccc(CN(Cc2cc(C#N)n(C)c2)C2CC2)cc1C 191393102 ARMBQCIOCLHBQP-UHFFFAOYSA-N 293.414 3.678 30 20 CHED CC(C)N(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 134971954 GHCGWLHCJQBURH-LBPRGKRZSA-N 291.420 3.810 30 20 CHED CC1(C)SC[C@@H]1/N=C(/O)Nc1nc2ccccc2s1 328746330 OOCFYAYISLHQJD-JTQLQIEISA-N 293.417 3.516 30 20 CHED C[C@H]1C[C@@H](C(=O)NCc2ccc(C#N)s2)CC(C)(C)C1 421605267 UNLZTALORDVLPO-NWDGAFQWSA-N 290.432 3.698 30 20 CHED C#CCCNC(C)(C)c1ccc(Cl)c(Cl)c1 381452006 HAKYARGCJICXGP-UHFFFAOYSA-N 256.176 3.841 30 20 CHED C=CCCCOC(=O)c1ccc(Br)cc1 136217924 PZEJWZZJZHFFBZ-UHFFFAOYSA-N 269.138 3.572 30 20 CHED CCCNc1ccc(CNCc2cc(C#N)cs2)cc1 193152011 RYMXVJJLMRVTJO-UHFFFAOYSA-N 285.416 3.731 30 20 CHED OC1=Nc2cc(C/C(O)=N/[C@@H]3C[C@H]4CC[C@H]3C4)ccc2C1 329336122 OYUPQOSKAYQECB-VHRBIJSZSA-N 284.359 3.518 30 20 CHED CCCCCCC[S@](=O)Cc1noc2c1CCCC2 133373735 TWQXJAZVNDCHQM-LJQANCHMSA-N 283.437 3.773 30 20 CHED CCN(C(=O)CC1(C)CC1)[C@@H](C)c1ccc(C#N)cc1 428192900 PEMBVICPEHNLQK-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED CC(C)(C#N)CNC(=O)N1CC[C@@H](c2ccccc2)C1(C)C 422178292 JEEPUIVRFXXCED-HNNXBMFYSA-N 299.418 3.514 30 20 CHED N#Cc1ccc(NC(=O)NC[C@H]2CC=CCC2)c(Cl)c1 426149151 MCQUXIMQMFZGHO-NSHDSACASA-N 289.766 3.689 30 20 CHED Cc1cc(CNC(=O)Nc2cc(C#N)ccc2C)ccc1F 194589870 HEZZHNGRKVJIDA-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CC[C@@H](C#N)OC(=O)CCc1ccc(Cl)cc1Cl 84697283 UMWBMAWNRKYJDH-NSHDSACASA-N 286.158 3.771 30 20 CHED CCOc1cccc([C@H](C)/N=C(/O)N[C@@H]2CC[C@@H](C)C2)c1 331192472 QJMZYDCPJIFQSF-VNHYZAJKSA-N 290.407 3.839 30 20 CHED CC#CC(=O)Nc1ccc(Br)c2ccccc12 232640986 UDSRBSRIZPHTLF-UHFFFAOYSA-N 288.144 3.564 30 20 CHED Cc1noc(C)c1C(C)(C)/C(O)=N/C[C@H]1CCCCS1 330283885 WSCUQRZPGQBBLD-GFCCVEGCSA-N 296.436 3.811 30 20 CHED C[C@H](C#N)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 428629658 VQNZZWRPDYSZJW-ACJLOTCBSA-N 290.366 3.617 30 20 CHED CSC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 429277907 HPHFDCJXQUIETO-OAHLLOKOSA-N 293.863 3.767 30 20 CHED CC[C@H](c1ccc(F)cc1F)N1CCC(F)(C#N)CC1 510871844 JBSSGVPSOHDQMO-CQSZACIVSA-N 282.309 3.744 30 20 CHED Cc1csc(NC(=O)c2cccc(Cl)c2F)c1C#N 335141484 GVZTZTJEKSIZRC-UHFFFAOYSA-N 294.738 3.973 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 336601693 HXZMXPQCCVJSBA-VXGBXAGGSA-N 275.314 3.534 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1C[C@@H]1C1CCCCC1 432286091 XDSYYPWDUDWRDY-WBVHZDCISA-N 297.402 3.957 30 20 CHED Cc1cccc(C)c1Cn1nc(C#N)c2ccccc21 432454488 FXUKTDDKGGCJPU-UHFFFAOYSA-N 261.328 3.573 30 20 CHED CC[C@@H](CC(=O)Nc1cccc(C#N)c1C)C(C)C 431846689 TULIGPAMAYKXNS-ZDUSSCGKSA-N 258.365 3.878 30 20 CHED CC(C)=CC(=O)Nc1cc(C(C)(C)C)sc1C#N 91208655 BCXOBIMZWBCDNN-UHFFFAOYSA-N 262.378 3.822 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)C1(c2cccc(C#N)c2)CC1 435082557 STRLRMBSCWGGCP-AWEZNQCLSA-N 298.430 3.921 30 20 CHED CO[C@@H]1[C@H](C)[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1(C)C 344327340 LMVKGHMMRNZMHU-QRVDHSFSSA-N 298.430 3.585 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 345787762 FOMFFWNJMBXXIF-UONOGXRCSA-N 297.402 3.670 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCC[C@@H](SC)C1 342886725 XXIFQOFFBFQHIY-LSDHHAIUSA-N 299.480 3.540 30 20 CHED CSc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1 345647601 XQEJSTTZWUHWSF-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C=C1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)CC1 347580863 BFUUWZJYPKKRKF-UHFFFAOYSA-N 291.341 3.565 30 20 CHED COc1cc(C#N)ccc1CN1C[C@@H](C)CCC[C@H]1C 347226845 AUVWGPMMKKLODT-UONOGXRCSA-N 272.392 3.577 30 20 CHED C[C@H](c1ncc(-c2ccccc2)o1)N(C)CC(C)(C)C#N 433302549 XXDLLDMZVMBRLJ-CYBMUJFWSA-N 283.375 3.884 30 20 CHED CC(C)n1cc([C@@H](C)Nc2ccc(C#N)cc2)cn1 522181759 LZTNHNOVEXUZLS-GFCCVEGCSA-N 254.337 3.509 30 20 CHED Cc1nsc(NCc2cc(-c3ccccc3)on2)c1C#N 340021080 ZPBGYZJIUSYZKN-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(C#N)c1 521274218 UZRLHWNMNGEEMA-OCCSQVGLSA-N 256.349 3.713 30 20 CHED C[C@H](CC1CC1)N[C@@H]1CCCc2cc(C#N)ccc21 341716966 ZNWKXLQDDAKOTP-SJKOYZFVSA-N 254.377 3.714 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)NCC2(CC#N)CC2)cc1 431127567 KIUGVCQZPAGSHQ-HNNXBMFYSA-N 298.430 3.799 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)c1ccc(C#N)cc1 345150634 MWCKKYVDFFMPAA-LBPRGKRZSA-N 277.327 3.612 30 20 CHED C[C@@H](CC(=O)N(CC#N)c1ccccc1)C(C)(C)C 342697354 LLOWGIFSPDZEHM-ZDUSSCGKSA-N 258.365 3.615 30 20 CHED COc1ccc([C@@H](C)CCNC[C@@H](C)CCC#N)cc1 602556719 LUDIIABGFFLXIB-GJZGRUSLSA-N 274.408 3.718 30 20 CHED Cc1cc([C@H](C)NCCCOc2cccc(C#N)c2)c(C)o1 348091908 MZRCXPRGSJGHJX-AWEZNQCLSA-N 298.386 3.888 30 20 CHED C[C@H]1CCC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)[C@H]1C 602643954 IVIZPXXSWYCLKP-YVSFHVDLSA-N 292.467 3.747 30 20 CHED CSc1ccccc1NC(=O)c1ccc(F)c(C#N)c1 346026306 DMNLLODHNQLAEB-UHFFFAOYSA-N 286.331 3.672 30 20 CHED Cc1cc(N(CCC#N)CCC(C)C)nc(C(C)C)n1 434941683 DSHLKTQJMVYVRG-UHFFFAOYSA-N 274.412 3.675 30 20 CHED CCN(CC)Cc1cccc(CNC[C@H](C)CCC#N)c1 602523056 YPTSOSDRVZKPJC-MRXNPFEDSA-N 287.451 3.558 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 600800870 BNMFDUAQKPHARK-ZBFHGGJFSA-N 290.794 3.773 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1 255684284 HXICKIBHWJECJS-SREVYHEPSA-N 253.326 3.824 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C\c1ccc(C#N)cc1 255710483 YPSPRZNJMOPSES-YFHOEESVSA-N 294.329 3.659 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)c1ccccc1C 523934601 YRGDRZRBBIWGMM-UHFFFAOYSA-N 288.435 3.880 30 20 CHED C=CCCCc1nc(Cc2cn(C)c3cc(C)ccc23)no1 445623766 JLTICAIOSUPWMD-UHFFFAOYSA-N 295.386 3.969 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(Cl)nc2)cc(C)c1O 255344521 WOVMMHNSKIHHDS-HYXAFXHYSA-N 287.746 3.954 30 20 CHED C[C@H]1CCN(c2cccc(F)c2C#N)CC12CCC2 356788586 DXOVFARQGJFEPA-LBPRGKRZSA-N 258.340 3.714 30 20 CHED COc1ccc(F)cc1N=Cc1cc2ccccc2nc1O 255895197 DDMZSEGBXCRBFC-UHFFFAOYSA-N 296.301 3.839 30 20 CHED CCc1c(C(=O)N(CC)C[C@@H](C)C#N)oc2ccccc12 448724070 JSWILMBHYWDZRN-LBPRGKRZSA-N 284.359 3.617 30 20 CHED CSC1(CN(CCC#N)CC(C)(C)C)CCC1 356211709 GIIUZNUKADUMNB-UHFFFAOYSA-N 254.443 3.534 30 20 CHED C=CCOc1ccc(CNCCC2(C)CC2)cc1OC 355146221 BJUBGXWELPRMRQ-UHFFFAOYSA-N 275.392 3.540 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 358290254 DPFHKKZHWPIVIT-ZJUUUORDSA-N 271.307 3.522 30 20 CHED C[C@@H]1CN(C(=O)c2ccccc2CC#N)[C@H]1c1ccccc1 601259843 DGTFXVHWYYSKRE-RDTXWAMCSA-N 290.366 3.586 30 20 CHED Cc1ccc([C@H]2CCCCN2CC2(C#N)CC2)cc1 538348717 BTEKTELVDSERBN-MRXNPFEDSA-N 254.377 3.826 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C 538553023 YUTCOERXWTUMQE-RDBSUJKOSA-N 269.429 3.543 30 20 CHED C=CCCCC(=O)Nc1c(F)ccc(OCC)c1F 534770256 FPEJDDDFGOJNRE-UHFFFAOYSA-N 269.291 3.658 30 20 CHED C[C@@H](NC[C@@H](C1CCCCC1)N(C)C)c1ccc(C#N)cc1 539498415 OQGQGIJRMUQETG-BEFAXECRSA-N 299.462 3.719 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#N)c1 611184105 FZKHRQJAXNOUST-OLZOCXBDSA-N 272.392 3.808 30 20 CHED N#CCCCn1cc(C(=O)NC2CCCC2)c2ccccc21 443919845 IRPADOPCGWWVSQ-UHFFFAOYSA-N 295.386 3.617 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCCN(C2CCCCC2)C1=O 443090341 BOYWMOHSBMKFBJ-ZMSDIMECSA-N 292.467 3.500 30 20 CHED C=CCCN(C)C(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 357011442 ODZGGIGODJWIHU-UHFFFAOYSA-N 299.370 3.521 30 20 CHED C=C(C)CCNCc1ccccc1OCc1ccccn1 449472970 GTBLMFOFPODOKT-UHFFFAOYSA-N 282.387 3.716 30 20 CHED CS[C@@H](CNC1CCC(C)(C#N)CC1)C(C)(C)C 449231288 DASUSTFWFROZRS-OWYJLGKBSA-N 268.470 3.826 30 20 CHED CO[C@@H](CN1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 619781318 UFBPRGIRESWLSZ-JKSUJKDBSA-N 292.810 3.653 30 20 CHED CCCc1cc(N(C)C[C@@H](C)C#N)c2ccccc2n1 536985845 YDOZZSFFULBTEW-ZDUSSCGKSA-N 267.376 3.783 30 20 CHED CCN(c1ccc(Cl)c(C#N)n1)[C@H](C)c1cccnc1 267166849 BEVGGHIZRLIJTQ-LLVKDONJSA-N 286.766 3.589 30 20 CHED Cc1ccccc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618667529 FDRJHXSYXSADJL-KRWDZBQOSA-N 291.354 3.676 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccccc1C(C)(C)C 611250684 MGLCTSRMJIGVQO-ZDUSSCGKSA-N 272.392 3.652 30 20 CHED C[C@H](C(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 610223355 UOOYLWLZVQSFSD-JTQLQIEISA-N 286.281 3.579 30 20 CHED C=CCCc1csc(-c2cccc(C(=O)OC)c2)n1 535592138 XQJLDXDPWZZRGK-UHFFFAOYSA-N 273.357 3.715 30 20 CHED CCn1c(C(=O)N[C@@](C)(C#N)CC(C)C)cc2ccccc21 534595981 BQZYFKVSMGZZHC-GOSISDBHSA-N 297.402 3.719 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(OCC)c1 538349165 LEPQOKCTUJVCEP-CYBMUJFWSA-N 276.380 3.952 30 20 CHED N#CCCCN1CCC(=Cc2cccc(F)c2)CC1 610432492 LGSCJTWQQPMHIF-UHFFFAOYSA-N 258.340 3.609 30 20 CHED CCc1nc(C)c(NC(=O)[C@@H](C)c2cccc(C#N)c2)s1 360649255 VNPFZSHXVAZDHI-JTQLQIEISA-N 299.399 3.628 30 20 CHED CC(F)(F)CCNc1c(C#N)cnc2c(F)cc(F)cc12 450549788 ATYAUCOZTWEICX-UHFFFAOYSA-N 297.255 3.842 30 20 CHED C=C(C)CCNC(=O)[C@H](C)c1ccc(Cl)s1 452721356 ZVWJZBDHXZDBCU-SECBINFHSA-N 257.786 3.587 30 20 CHED C=CCC[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccco1 367619686 PLEDTGAVMQISSJ-BQFCYCMXSA-N 283.371 3.535 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 456815685 YXCKJZPQMVDXMA-LBPRGKRZSA-N 265.784 3.601 30 20 CHED N#CC[C@H](CC(=O)N1CC2(CCCCC2)C1)c1ccccc1 369090564 FPDRVIYDWKZEHZ-QGZVFWFLSA-N 296.414 3.867 30 20 CHED C=CCCN(C)C(=O)Nc1c(C)cccc1OC(F)F 276020457 CAJGJCNLHMEREC-UHFFFAOYSA-N 284.306 3.636 30 20 CHED C=CCN(C(=O)C(c1ccccc1)c1ccccc1)C1CC1 540474105 PBMZIFQNJBFBBH-UHFFFAOYSA-N 291.394 3.996 30 20 CHED Cc1ccccc1-n1c(C)nnc1S[C@H]1CC[C@@H](C#N)C1 278588140 PMVJEIZOFZJSCH-KGLIPLIRSA-N 298.415 3.669 30 20 CHED Cc1nc(N(CCC#N)CCC(C)C)c(Cl)cc1C#N 360069492 DWZFPYTUXQJRLN-UHFFFAOYSA-N 290.798 3.681 30 20 CHED C=CCOCCCc1nc(C(C)(C)c2ccccc2)no1 278123933 JPKCCGBULOTYNN-UHFFFAOYSA-N 286.375 3.531 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCc2sc(Cl)cc21 451818587 YFLKBPQRNFWMBZ-SECBINFHSA-N 269.797 3.717 30 20 CHED CC(C)(CC#N)CNCc1ccccc1C(F)(F)F 459704396 XNZWCJJHXFODDR-UHFFFAOYSA-N 270.298 3.735 30 20 CHED Cc1cc(NC(=O)[C@H](C)CCC(C)(C)C)nn1CCC#N 273232668 FZKXZWPDKUVPMF-GFCCVEGCSA-N 290.411 3.506 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OC(C)C)cc1Cl 275540253 ZMQOTKFGRSGRQV-UHFFFAOYSA-N 282.771 3.777 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 541009895 VSQRWAZCEJYJKB-HRCADAONSA-N 281.440 3.689 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 451446894 AKDRCMSCCXUODP-VVFCZOMOSA-N 296.414 3.756 30 20 CHED N#Cc1ccc(CNc2ccc([C@@H]3CCOC3)cc2)cc1F 453110159 AEWYTZJNEDPYHK-MRXNPFEDSA-N 296.345 3.813 30 20 CHED N#CCCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 451876324 FHNUTKOFRBTQRS-INIZCTEOSA-N 282.391 3.784 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(C(=O)C3(C#N)CCCC3)C2)cc1 279046430 YAKXQKMAIBEISG-RDJZCZTQSA-N 296.414 3.783 30 20 CHED Cc1cnccc1N1CC=C(c2ccc(C#N)cc2)CC1 375661186 BWFMDLOXRSPUSP-UHFFFAOYSA-N 275.355 3.555 30 20 CHED C=CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 463253766 BWJKTNZXACPDIU-HNNXBMFYSA-N 290.366 3.881 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCCN1CC(F)F)c1ccco1 624096583 CSFCFZVWHHJRAM-UONOGXRCSA-N 298.377 3.606 30 20 CHED C=C[C@H](Cc1nc([C@H]2C[C@H]2C)no1)c1ccccc1 546486597 VXTDGSXRUZDNLG-BZPMIXESSA-N 254.333 3.705 30 20 CHED CC(C)(C#N)CCOc1ccc(-c2noc(C3CC3)n2)cc1 281924702 OIHYGWITCGNNRT-UHFFFAOYSA-N 297.358 3.933 30 20 CHED Cc1nsc(N[C@@H]2CCc3ccc(F)cc32)c1C#N 553074449 IPOUPRAYEHPMFV-CYBMUJFWSA-N 273.336 3.562 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(-n3cccn3)cc2)n1 551497842 GUYWXRQRROKQBD-UHFFFAOYSA-N 294.358 3.776 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](Cc2ccccc2)C1 466377265 CUJOKEBIWRXFEN-SJORKVTESA-N 286.419 3.615 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 466538143 AJFJFJAZZNSNGX-ZDUSSCGKSA-N 290.363 3.605 30 20 CHED C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCC1 280259811 UVKFQVBOTWZXJT-CYBMUJFWSA-N 284.403 3.796 30 20 CHED C=CC1CCN(C(=O)c2nsc3ccc(C)cc23)CC1 550963283 ZOOWIUBXULGMHS-UHFFFAOYSA-N 286.400 3.643 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(C)o1 633495793 MEMDBZKSGPSMDW-UHFFFAOYSA-N 298.386 3.876 30 20 CHED Cc1cccnc1C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1 558499619 CYVJVMLZVSWMIE-HNNXBMFYSA-N 293.414 3.890 30 20 CHED CCCCC1CCC(CNC(=O)NCC2(C#N)CC2)CC1 559309042 RAYSZPDSWNQJML-UHFFFAOYSA-N 291.439 3.586 30 20 CHED N#Cc1ccc2c(c1)[C@@H](Nc1ccc(F)c(F)c1)CC2 558504773 LLGGNCMUTXJHAT-INIZCTEOSA-N 270.282 3.936 30 20 CHED CC(C)(C#N)CCn1ccc(-c2ccc(F)cc2)n1 282008646 UXJSNQDICAJKLC-UHFFFAOYSA-N 257.312 3.629 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cnn(Cc2ccc(OC)cc2)c1 556610221 DOCXWPFHVWXRBT-CABCVRRESA-N 299.418 3.953 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1c(C)nsc1C 293107404 PFKUWZBLNDPAFR-UHFFFAOYSA-N 293.436 3.552 30 20 CHED Cc1ccccc1C1(C(=O)Nc2ccc(C#N)cc2)CCC1 472816726 KSFNBPGSIKEEKI-UHFFFAOYSA-N 290.366 3.927 30 20 CHED C=CCCc1noc([C@@H](C)Oc2ccccc2Cl)n1 297302825 MKSHFOCSSAXBEC-SNVBAGLBSA-N 278.739 3.982 30 20 CHED CCN(CC(C)(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 291270189 TUUTVCDLTIFOBY-UHFFFAOYSA-N 286.419 3.996 30 20 CHED Cc1cccc(CN(C)C(=O)c2ccc(CC#N)cc2)c1C 298341866 SGMHZFDMNHVSGZ-UHFFFAOYSA-N 292.382 3.642 30 20 CHED C#CCCCCNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 293243569 WIRIYFVOINYVAC-KRWDZBQOSA-N 296.414 3.727 30 20 CHED CC#CC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 801137640 GHCDUEHFDLUPAS-KRWDZBQOSA-N 297.785 3.763 30 20 CHED Cc1cc(F)ccc1NC(=O)[C@]1(C#N)CC12CCCC2 294231708 DJVWEARHHRNRHD-MRXNPFEDSA-N 272.323 3.547 30 20 CHED CCSc1cccc(F)c1NC(=O)CCCC#N 291443832 BPKDAIJARSGRII-UHFFFAOYSA-N 266.341 3.570 30 20 CHED N#CCSCCCOC(=O)CC1CCCCCC1 805485554 KNDLVTFSOFFQIV-UHFFFAOYSA-N 269.410 3.537 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1O 800989420 CKSSGHIPURWNQC-NSHDSACASA-N 286.762 3.768 30 20 CHED N#Cc1ncc(NC(=O)C2(C3CCC3)CCC2)cc1Cl 568046209 FFJGKDVKZBVKLQ-UHFFFAOYSA-N 289.766 3.516 30 20 CHED CC(C)(CCC#N)C/N=C/c1cc2ccccc2nc1O 806550526 LRZUJWAUPIUBQZ-YBFXNURJSA-N 281.359 3.689 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)[C@@H](O)c1ccccc1 808721426 MJPZMODUZBPCON-HYVNUMGLSA-N 261.409 3.833 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)CCc1cccs1 292754650 KBPYIBSJRIGBPE-UHFFFAOYSA-N 280.437 3.534 30 20 CHED C=CCCCCNC(=O)N[C@H](C)Cc1ccc(C)s1 472793160 QIDKSAXXLGFPBN-GFCCVEGCSA-N 280.437 3.643 30 20 CHED N#Cc1cncc(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 561454275 FXRGAICTZDCCDU-TZMCWYRMSA-N 298.777 3.750 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1ccccc1 293347730 BBBFDTSQPHMVJF-CQSZACIVSA-N 279.330 3.952 30 20 CHED Cc1ccc(C[C@H]2CCCN(CCCCC#N)C2)cc1 568420128 WDCOHGJRMNQMDJ-GOSISDBHSA-N 270.420 3.943 30 20 CHED FCCC[C@@H]1CCCC1=NNc1cnc2ccccc2n1 800811754 HYBIDKJZUHDTLF-LBPRGKRZSA-N 286.354 3.948 30 20 CHED CC(C)c1nccnc1NN=C1C[C@@H](C)c2ccccc21 807984772 FMZUULIJRAMERM-GFCCVEGCSA-N 280.375 3.923 30 20 CHED CC(=NNc1ccc(C)cn1)c1cc(Cl)cc(C)c1O 807968955 GQDVJCONPDEEOX-UHFFFAOYSA-N 289.766 3.894 30 20 CHED CC(C)c1n[nH]c(CSc2ccc(C#N)cc2Cl)n1 488250419 KMJZJIADCVQVPQ-UHFFFAOYSA-N 292.795 3.745 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCOc1ccc(C)c(C)c1 488855407 ONEIGPPNVFTCLS-MRXNPFEDSA-N 287.403 3.639 30 20 CHED CC(C)[C@@H]1N(c2snc(Cl)c2C#N)CC1(C)C 814262288 MMBZERUSZFZQTJ-VIFPVBQESA-N 269.801 3.539 30 20 CHED C#Cc1cccc(NC(=O)CCCOc2ccc(C)cc2)c1 817840514 BTNOWGIBIZBJIP-UHFFFAOYSA-N 293.366 3.774 30 20 CHED N#Cc1c(Cl)nsc1N1CC(C2CCCCC2)C1 814940383 IXFBQBWBNOSKPR-UHFFFAOYSA-N 281.812 3.685 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1nc2c(s1)CCCC2 485592762 QXHGXQAPILXFEF-LLVKDONJSA-N 291.420 3.594 30 20 CHED CN(CC(C)(C)CCC#N)C1CCC(F)(F)CC1 564758695 PTDHHSQEXOMTFO-UHFFFAOYSA-N 258.356 3.826 30 20 CHED CCc1ccc(CN(C)Cc2ccc(C#N)c(F)c2)cc1 483523867 LJANAOSXQYWONB-UHFFFAOYSA-N 282.362 3.892 30 20 CHED Cc1ccccc1O[C@H]1CCCC[C@@H]1NCCCCC#N 484649500 KDNUMFVRSOGELY-WMZOPIPTSA-N 286.419 3.969 30 20 CHED CCCCCc1ccc(OC(=O)c2cccc(C#N)n2)cc1 810525048 GLFMCJUOVUOGMC-UHFFFAOYSA-N 294.354 3.905 30 20 CHED Cc1ccc(NN=C2CC(C(=O)O)(c3ccccc3)C2)cc1 814685040 BGVFDZYRJTZPMG-UHFFFAOYSA-N 294.354 3.579 30 20 CHED C=CCCCCOC(=O)c1cncc2ccccc12 811013533 YYCUTKAHYXVJGN-UHFFFAOYSA-N 255.317 3.748 30 20 CHED C=CCOC(=O)CCCCCc1ccc(OC)cc1 727564406 QKXWGLPXNWHJPZ-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CC[C@H](C)C(=O)N1CCCSC1=Nc1ccccc1 818023447 JOCOHFBBHHDZDF-LBPRGKRZSA-N 276.405 3.686 30 20 CHED CC(=NNC1CCCCC1)c1ccc(Cl)c(N)c1 814909291 KDGGJEWKNORFEX-UHFFFAOYSA-N 265.788 3.569 30 20 CHED Cc1nc(Cl)cc(NN=C2CC(c3ccccc3)C2)n1 814855618 PWUFZWRRTJXABT-UHFFFAOYSA-N 286.766 3.784 30 20 CHED COc1ccc([C@@H](C)CN2CCC(CCC#N)CC2)cc1 578869349 JZJPVAQEMIOPHF-HNNXBMFYSA-N 286.419 3.814 30 20 CHED CC[C@H](NC(=O)C#CC(C)C)c1ccccc1OC(F)F 821807004 WHACTCRCRAITAX-ZDUSSCGKSA-N 295.329 3.515 30 20 CHED C#C[C@H](C)N(C)C(=O)C[C@H](C)c1ccccc1C(F)(F)F 491671152 WLKVVMARNMSAFP-RYUDHWBXSA-N 297.320 3.679 30 20 CHED C[C@@H]1CCCC1=NNc1ccc(C(F)(F)F)cn1 729141013 RWYURVQYSLGMBP-MRVPVSSYSA-N 257.259 3.688 30 20 CHED CCOc1cc(N=Cc2c(O)cccc2OC)ccc1C 727265030 FOHGIYUTUQHIKB-UHFFFAOYSA-N 285.343 3.859 30 20 CHED C#C[C@H](OC(=O)c1cn(C)c2ccccc12)c1ccccc1 821613101 XFNZWIMUTVHHDH-SFHVURJKSA-N 289.334 3.710 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(C)CC(C)(C)C#N)cc1 497161230 LWGWDZPTLXNYJT-CQSZACIVSA-N 286.419 3.751 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C)c1ccon1)c1ccccc1 490157382 HIDFJEDGKDJFFQ-UKRRQHHQSA-N 284.359 3.602 30 20 CHED CC(C)C[C@H](C#N)NC(=O)Cc1cc(Cl)ccc1Cl 726559597 LOVNTMXKUZJFDX-GFCCVEGCSA-N 299.201 3.590 30 20 CHED N#Cc1ccc(NCc2ccc3c(c2)OCCCCO3)cc1 581590052 OHJZKQKBQMNBNB-UHFFFAOYSA-N 294.354 3.722 30 20 CHED CC[C@@H](NCc1ccc(COC)cc1)c1cccc(C#N)c1 902734808 WJKSCORGDXTSTA-LJQANCHMSA-N 294.398 3.946 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(F)c(F)cc1F 666003872 NFABNJUEXGTSEG-UHFFFAOYSA-N 286.297 3.970 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)CC(C)(C)C#N 498118668 XHZPOWJSLZRVDR-CYBMUJFWSA-N 264.413 3.791 30 20 CHED CCC/C(C)=C/C(=O)N[C@](C)(C#N)CCc1ccccc1 732105991 PWFLMMSQWRMJIY-DUVHGLKDSA-N 284.403 3.764 30 20 CHED C=CCN(C)C(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 491039002 SNMUOXXISYKXMJ-UHFFFAOYSA-N 273.420 3.906 30 20 CHED C=CC[C@@H](NC(=O)N[C@@H](C)CCC(C)C)c1ccncc1 734652603 OBNMPSGTCDJFRQ-GOEBONIOSA-N 289.423 3.823 30 20 CHED C=CC[C@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 661381315 ZZZRHNXWWJVKPC-KRWDZBQOSA-N 295.430 3.720 30 20 CHED C#CCOc1cccc(NC(=O)/C=C(/C)c2ccccc2)c1 730977876 BTYULDJRMISUPH-SQFISAMPSA-N 291.350 3.741 30 20 CHED CCCCCCCCCNC(=O)N1CCCOC(C)(C)C1 735378469 PMIPRRRUCFOJGO-UHFFFAOYSA-N 298.471 3.948 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1sccc1C#N 497979237 BQQWPIZYZOAHGS-OLZOCXBDSA-N 290.432 3.954 30 20 CHED C#C[C@H](NC(=O)Nc1cc(OCC)ccc1Cl)C(C)C 836718370 OOBNUUPVIARQAS-ZDUSSCGKSA-N 294.782 3.518 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(C(=O)OC)c1Cl 905810086 BILLNPKVGKCPPZ-JTQLQIEISA-N 295.766 3.667 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2scnc2C2CC2)C1 666471498 KQLOKVUPVLFIAR-NSHDSACASA-N 291.420 3.841 30 20 CHED CC(C)n1cncc1/C=C1/CCc2cc(C#N)ccc2C1=O 901480552 MZWWKWNXKXSTGM-NVNXTCNLSA-N 291.354 3.548 30 20 CHED CC(C)c1ccc(C[C@@H](C)NC[C@@H](C#N)CCC#N)cc1 583867074 RAATXCVJQOWUJZ-NVXWUHKLSA-N 283.419 3.774 30 20 CHED C[C@H]1/C(=C\c2ccc(C3CCCC3)cc2)C(=O)c2ncnn21 905083453 DJJQWKQSWUZYGT-SEJMYLSOSA-N 293.370 3.777 30 20 CHED CCC(=NNc1cnc2ccccc2n1)C1CCCC1 834954208 ISKKRQOGTXJWNU-UHFFFAOYSA-N 268.364 3.998 30 20 CHED COc1cccc(/C=N\Cc2ccc3ncccc3c2)c1O 588615009 XOHSFQWMENWWAT-UNOMPAQXSA-N 292.338 3.568 30 20 CHED N#CC1(C(=O)OCc2ccc(Cl)c(Cl)c2)CCC1 735991136 MXCQSYFRMRKJAB-UHFFFAOYSA-N 284.142 3.730 30 20 CHED C[C@H](NN=Cc1cccc(F)c1F)c1ccccc1 730728381 TVNYUIQHZYETPR-NSHDSACASA-N 260.287 3.650 30 20 CHED CCCCCCCCC(=O)N1CC[C@](C)(COC)C1 833543511 NKNRNTUQQKTWSQ-INIZCTEOSA-N 269.429 3.622 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC(F)(F)C2)cc1OC 675644800 FAWARRRUKKPTEA-ZDUSSCGKSA-N 297.345 3.537 30 20 CHED C=CCCCOC(=O)[C@H](C)Cc1ccccc1F 738771060 XFDACDPCHOQXIK-GFCCVEGCSA-N 250.313 3.514 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N1CCCCCCCC1 836921931 QTLANQIDZLOKMC-GOSISDBHSA-N 298.430 3.942 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)C#CC(C)(C)C)cc1 837360583 FQERMPNJCIWRGV-CYBMUJFWSA-N 273.376 3.852 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2cc3ccccc3o2)C1 839046786 ASXHXCUSXMAKRY-OCCSQVGLSA-N 283.327 3.601 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)c2c(F)cccc2F)c1 917558397 OAUMSFBTGICWLO-XTTRTJGBSA-N 291.297 3.859 30 20 CHED C[C@]1(CC(=O)Nc2sccc2C#N)CC1(Cl)Cl 839214813 DEPJZNHFLUNZDO-JTQLQIEISA-N 289.187 3.532 30 20 CHED CCN(CC)c1ccc(C/N=C\c2ccccc2O)cc1 917557094 XGHYIHCWFIQUKQ-RGEXLXHISA-N 282.387 3.858 30 20 CHED Cc1cc(NN=Cc2cc(C)n(CC(C)C)c2C)nc(C)n1 915970833 OWUUQAWMEADMCT-UHFFFAOYSA-N 299.422 3.614 30 20 CHED Cc1c(Cl)cnc(N2C[C@H](C)C(F)(F)[C@H](C)C2)c1C#N 599118816 PZFAVKVKLXWDGV-DTORHVGOSA-N 299.752 3.643 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1ccc2c(c1)COC2 742435960 CIFBBWUYUAYPIE-WAYWQWQTSA-N 285.730 3.661 30 20 CHED CSCC1(CCN[C@H](C)c2ccc(C#N)cc2)CC1 594711994 ORBJWNWCZGHCOI-CYBMUJFWSA-N 274.433 3.742 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2cccc(C3CC3)c2)nn1 834444857 UFLCQRHLDHDESM-CMDGGOBGSA-N 281.359 3.633 30 20 CHED Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1C 42192158 ZVKIZQMJJMBGTD-UHFFFAOYSA-N 264.328 3.622 30 20 CHED C[C@H](OC(=O)c1cccc(N(C)C)c1)c1ccc(C#N)cc1 748677713 RLPBDMMBEOFMQH-ZDUSSCGKSA-N 294.354 3.542 30 20 CHED N#CCCCCOC(=O)c1cccc2c3c([nH]c12)CCCC3 914626051 BDYHFABKSDODHH-UHFFFAOYSA-N 296.370 3.897 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H](C)Oc2ccccc2C)c1 741842006 DJYDOXSPCAFRAJ-ONDHQXCVSA-N 299.370 3.596 30 20 CHED C[C@H]1CCN(C[C@H](O)CC(C)(C)C#N)CC12CCCCC2 598603805 GWSHSSIPCKAUBL-JKSUJKDBSA-N 292.467 3.579 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)O[C@H]2CCC[C@@H](C)C2)c1 742511291 LUASUDPKZOPYBY-JLSDUUJJSA-N 299.414 3.980 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1N 911664651 XKJOIYPKKCVFGW-VIFPVBQESA-N 286.297 3.828 30 20 CHED CCn1nc(C)c(/C=C2/CCc3cc(F)ccc3C2=O)c1C 747439387 DHLQQEYFAAHTBM-UVTDQMKNSA-N 298.361 3.871 30 20 CHED CC(C)CON=C(Cc1ccccc1[N+](=O)[O-])C1CC1 749637094 XFZGVPWKSTZQLP-UHFFFAOYSA-N 276.336 3.576 30 20 CHED N#CC[C@@H]1CCCN(CCSc2ccccc2F)C1 595611570 LIDGYGDPWMKYGR-ZDUSSCGKSA-N 278.396 3.543 30 20 CHED CC[C@H](C)CCNC(=O)c1ccc(C(C)(C)C#N)cc1 597976390 AGVRNIJFYQUOPQ-ZDUSSCGKSA-N 272.392 3.654 30 20 CHED C=C(CNC(=O)c1ccccc1OC(C)C)c1ccccc1 673341855 ZTPBPGOIRQTBSL-UHFFFAOYSA-N 295.382 3.917 30 20 CHED C=CCCCOC(=O)CNc1cccc(C(F)(F)F)c1 745011504 DHNPOYSURMEYEI-UHFFFAOYSA-N 287.281 3.627 30 20 CHED N#C[C@@H](C(=O)CC1CCCC1)c1nc2ccccc2o1 917510119 ONGUKJXNBCTSTK-LBPRGKRZSA-N 268.316 3.584 30 20 CHED C=C[C@H](C)ON=Cc1ccc(OC(F)F)c(OCC)c1 844624986 PFYMMZYZTIHQTM-JTQLQIEISA-N 285.290 3.612 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)CCCC(F)(F)F 599823182 DMIIENVETPENKM-JTQLQIEISA-N 278.318 3.554 30 20 CHED N#Cc1ccc(CCN[C@H]2CCCC[C@H]2C2CC2)cc1 595057917 YLRXXLHHTJVSSO-ROUUACIJSA-N 268.404 3.659 30 20 CHED C#CCCCCCC(=O)N1CCn2c(Cl)ccc2[C@@H]1C 848087568 KABJANWBZUMWST-ZDUSSCGKSA-N 292.810 3.628 30 20 CHED N#Cc1ccc(CN2CCC[C@H](C3CCCCC3)C2)nc1 595876775 GXYXRYIPNDBMFZ-KRWDZBQOSA-N 283.419 3.746 30 20 CHED C[C@H](c1nc2ccccc2o1)N1CCC[C@@H](CC#N)C1 595619733 GLXFQOOFNFLGLG-OLZOCXBDSA-N 269.348 3.514 30 20 CHED Cc1[nH]c2ccc(OCC3(CC#N)CC3)cc2c1C 596280236 VSXFDYFYHSJHTD-UHFFFAOYSA-N 254.333 3.857 30 20 CHED N#Cc1c(F)cccc1N1CC(C2CCCCC2)C1 590146888 XLDQIOLYFRXDKX-UHFFFAOYSA-N 258.340 3.714 30 20 CHED CCCCCCCC(=O)N1CC2(CCOCC2)C[C@H]1C 843721149 MZEKHURCTZFZEC-OAHLLOKOSA-N 281.440 3.765 30 20 CHED Cc1ccc(C=NOCCCOc2ccccc2)cc1 745580800 DDVPRJIZLXQQMT-UHFFFAOYSA-N 269.344 3.815 30 20 CHED N#CCCSCc1ccc(Cl)nc1C(F)(F)F 840214615 SIXKAOUCTFMFEC-UHFFFAOYSA-N 280.702 3.901 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H](CO)[C@@H]1C 840246409 ZVVVQAATIJRYPZ-HOTGVXAUSA-N 298.471 3.539 30 20 CHED CCCCCCCCOC(=O)c1cccc(CO)c1 921228584 VPPGZVXEZWBWAV-UHFFFAOYSA-N 264.365 3.696 30 20 CHED C[C@@H](OC(=O)c1scnc1Cl)c1ccc(C#N)cc1 748676917 GLBZARARDDMAPQ-MRVPVSSYSA-N 292.747 3.586 30 20 CHED CC[C@H](CC#N)OC(=O)[C@H]1CC(C)(C)Oc2ccccc21 842342128 GMPGMVOLGVLRJK-OCCSQVGLSA-N 287.359 3.567 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1cc(F)cc(F)c1 755893549 NJLFOOAYRKTRFZ-UHFFFAOYSA-N 297.308 3.771 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(F)cc1O 757475850 MZQMMTQQWCDJKL-PLNGDYQASA-N 262.305 3.797 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc(F)c(C)c1)C(C)C 753051289 YGDYJJQKKMXTGP-CYBMUJFWSA-N 278.371 3.801 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1C[C@@H]1c1cccc(F)c1 921261054 LKRBIIPGYHRJQC-YLDGMPKFSA-N 285.318 3.515 30 20 CHED CC(C)N(CCC#N)C(=O)OCc1cccc(Cl)c1 858945554 JPZRCSSBENPZAM-UHFFFAOYSA-N 280.755 3.601 30 20 CHED C=C(C)CCOC(=O)c1cccc(Br)c1F 759550666 RSDMYVFSVCRWDE-UHFFFAOYSA-N 287.128 3.711 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2c(F)ccc(F)c2Cl)C1 857628025 YQKVZVFYHCHHMJ-DTWKUNHWSA-N 299.704 3.857 30 20 CHED C=CCN(CC[C@H]1CC1(Cl)Cl)C(C)(C)C 852554572 RRNWDSRJUAPKRO-JTQLQIEISA-N 250.213 3.857 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@@H](O)c2cccc3ccccc23)C1 850515625 GKUDVUZWYHQGNT-IDHHARJASA-N 294.398 3.545 30 20 CHED CCn1cc(C(=O)/C=C\c2cccc3ccccc23)cn1 920992120 LYKSDGGLROSSNE-KHPPLWFESA-N 276.339 3.952 30 20 CHED CCCn1nccc1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 853007284 SWZGOUYRALDSDX-YHZJOHHESA-N 292.382 3.993 30 20 CHED CCOCC(C)=NNc1nc2ccc(Cl)cc2s1 853438768 NAAKQOFPALUGSD-UHFFFAOYSA-N 283.784 3.774 30 20 CHED C#CCCCCN[C@H](c1ccc(C)cc1)c1cccnc1 925525510 CEAULGDCRHDYMJ-LJQANCHMSA-N 278.399 3.873 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(N(C)C(C)=O)cc1 858498228 MHTACLFHEZIBTN-HNNXBMFYSA-N 288.435 3.894 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1ccc(CC(=O)O)cc1 853370127 DHRHZZSOZIHFIA-CQSZACIVSA-N 286.375 3.848 30 20 CHED Clc1cccc(C=NO[C@@H]2CCCCO2)c1Cl 755817400 ZSERAFFZHXXDRE-LLVKDONJSA-N 274.147 3.871 30 20 CHED N#C[C@@H](C(=O)C(C1CC1)C1CC1)c1ccc2ccccc2n1 753534642 IVIVFSDVAWDTRF-OAHLLOKOSA-N 290.366 3.847 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(OC)c(C)c2)c1C 750909785 NUBPMTNMWFFUGM-VQHVLOKHSA-N 298.386 3.733 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(Cl)c3cccnc23)C1 932159126 VFTWBHRKCUIYTM-GFCCVEGCSA-N 285.778 3.624 30 20 CHED FC(F)(F)CON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853321400 NNMIQFVUIXKXOS-HTQZYQBOSA-N 277.208 3.920 30 20 CHED C#CC[C@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccccc1 757594224 AOJCUELGRWPERI-IBGZPJMESA-N 291.394 3.727 30 20 CHED Cc1ccc(CCCC=NOCC(F)F)cc1C 758907689 ZMBNUCFKPBMSST-UHFFFAOYSA-N 255.308 3.894 30 20 CHED CC(CCc1ccc(F)cc1)=NO[C@H]1CCCCO1 755816954 IFTYGESHPYXFMU-HNNXBMFYSA-N 265.328 3.677 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2C(F)F)CC1 931789991 XSENMWOVCBFEDY-UHFFFAOYSA-N 266.291 3.808 30 20 CHED COc1ccc(NN=C[C@@H](C)c2ccc(C)cc2)nc1 863108090 GHPBRQHUMNMPDD-CYBMUJFWSA-N 269.348 3.600 30 20 CHED CCSc1cccc(C=NNc2nc(C)cc(C)n2)c1 769765343 FTDGTSXJKVTWLV-UHFFFAOYSA-N 286.404 3.651 30 20 CHED CCC(=NOCc1ccccc1)c1ccc(O)c(F)c1 764681379 BYUHAKHVJAJCKR-UHFFFAOYSA-N 273.307 3.862 30 20 CHED N#CC[C@@H](O)CSc1nc(C2CCCCC2)cs1 865396517 UOHGKIHRCJHIPR-LLVKDONJSA-N 282.434 3.557 30 20 CHED CCC[C@@H](C=NNc1ncccc1[N+](=O)[O-])c1ccccc1 769585222 MHZBBONFJVOCLD-AWEZNQCLSA-N 298.346 3.971 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1cn(C)nc1C 763188249 LXIOTMGMOLBYQV-UHFFFAOYSA-N 297.189 3.871 30 20 CHED COc1cc(F)ccc1NN=C(C)c1cccc(C#N)c1 761890993 RUIXDSHMNUKESN-UHFFFAOYSA-N 283.306 3.542 30 20 CHED CC[C@@H](/N=C/c1cc(Cl)ccc1O)C(=O)OC(C)(C)C 763098395 WRNZHEABALTJND-UDPFGDFPSA-N 297.782 3.585 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CCC[C@H](C)C1 930014332 HURCJFLAEUAUSM-SWLSCSKDSA-N 270.376 3.517 30 20 CHED C=C1CCN(C(=O)Nc2cc(SC)ccc2C)CC1 930717124 HQJJWWHUJCZALH-UHFFFAOYSA-N 276.405 3.901 30 20 CHED C=CCN(C(=O)c1cccc(OC(F)(F)F)c1)C(C)C 763352727 GYAOAJSJRULXMD-UHFFFAOYSA-N 287.281 3.622 30 20 CHED C#CCCN(Cc1cccc(-c2cccnc2)c1)C1CC1 767430002 IQZGLGHQXYRFJN-UHFFFAOYSA-N 276.383 3.736 30 20 CHED CON=Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl 767490714 KHGITOYUESWCRI-UHFFFAOYSA-N 298.173 3.527 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)C[C@H](C)c1ccco1 860687711 LAYDYTUFBXQPIP-BBRMVZONSA-N 280.364 3.545 30 20 CHED C#CCN(Cc1ccc(-c2ccccc2OC)cc1)C1CC1 764676978 PHVHGUKJQHGOFF-UHFFFAOYSA-N 291.394 3.960 30 20 CHED CCCCNN=Cc1cc(Br)ccc1Cl 767773069 VKIHFRNLHCZVJT-UHFFFAOYSA-N 289.604 3.826 30 20 CHED Fc1cnc(NN=Cc2cc(-c3ccccc3)cs2)nc1 760247770 ZWOJPWYNSJWZDX-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Cc1cc(OC(=O)[C@@H]2C[C@@H]2c2sccc2C)ccc1C#N 765114199 UBZHBXJOOKEPAA-LSDHHAIUSA-N 297.379 3.946 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)[C@@H]1CCCOC1 777447559 HDBGBEZVQALOGS-QZTJIDSGSA-N 288.435 3.646 30 20 CHED CC(C)c1ccsc1C(=O)OCCC(C)(C)C#N 776378901 OCPNFVLSOQFWIT-UHFFFAOYSA-N 265.378 3.968 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1c(C)cccc1SC 879239260 VBGLTCLNJHONOT-OAHLLOKOSA-N 276.405 3.640 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N[C@H](C#N)C1CCCC1 1119506136 KHUMOOOUJWFIPU-CQSZACIVSA-N 274.364 3.524 30 20 CHED N#C[C@@]1(C(=O)Oc2cc(F)cc(Cl)c2)CC12CCCC2 875879266 DUHQEIMCZHTCFF-OAHLLOKOSA-N 293.725 3.859 30 20 CHED COc1cccc2cc(CNCc3cc(C#N)cs3)oc12 1116201540 VQAQXHFNIDMFHH-UHFFFAOYSA-N 298.367 3.664 30 20 CHED CC(C)Oc1ccc(N=Cc2cccc(O)c2O)cc1C#N 771838014 ZXKUETWJVCRLNQ-UHFFFAOYSA-N 296.326 3.507 30 20 CHED C[C@@H](C#N)COC(=O)c1cc2c(s1)-c1ccccc1CC2 770930735 QOCIWIOCIJATAS-NSHDSACASA-N 297.379 3.830 30 20 CHED C=C[C@@H](COC)NCc1ccc(Cl)c(C(F)(F)F)c1 1116640038 FPOQTTSCSXPZQE-JTQLQIEISA-N 293.716 3.649 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(COC)cc1 776189616 ILROKKBPMHJCRM-HJWRWDBZSA-N 281.355 3.687 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cc(C)oc1C 777905094 ADENBLSLHLBNBG-UHFFFAOYSA-N 263.728 3.781 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 775995687 PMMRVTFPPOUIKH-JTQLQIEISA-N 298.736 3.549 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N[C@@H]1CCOC1 774820023 ORYNUJXYSSVKFT-HUUCEWRRSA-N 269.429 3.668 30 20 CHED CCCCCCCC(=O)Oc1ccc2cncnc2c1 772527280 BTGYUNFJNXSJFS-UHFFFAOYSA-N 272.348 3.896 30 20 CHED CC(C)c1nccnc1NN=C/C=C/c1ccccc1 773091034 MINXFCOSMVORRY-UAVYMXJMSA-N 266.348 3.711 30 20 CHED CC[C@H](OC(=O)Cc1ccccc1CC#N)c1ccccc1 777163289 KRZKIPGQFAOBLR-SFHVURJKSA-N 293.366 3.990 30 20 CHED C=CC(C)(C)CC(=O)NC(C#N)(CCC)CCC 889453796 ZWALZTJSUSPHLB-UHFFFAOYSA-N 250.386 3.567 30 20 CHED N#Cc1cccc(-c2ccc(C(=O)O)c(Cl)c2)c1 65349646 RVTDXMKYXJWLKM-UHFFFAOYSA-N 257.676 3.577 30 20 CHED Cc1cc(C(=O)N(c2ccccc2C#N)C2CCC2)c(C)o1 953069834 WRMPEUFCNRSVRC-UHFFFAOYSA-N 294.354 3.967 30 20 CHED CCc1cnccc1[C@H](C)/N=C\c1cc(OC)ccc1O 773148207 JILZMSUMSSMMGH-XHEYCZLTSA-N 284.359 3.538 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2ccc(Cl)nn2)C1 783777981 OAUBYCKYYLKWPL-MNOVXSKESA-N 266.776 3.744 30 20 CHED CC#CCNc1cc(F)c(OC(C)(C)C)c(F)c1 782219932 FAGMSWCDHCBAOQ-UHFFFAOYSA-N 253.292 3.577 30 20 CHED Cn1ncc(Cl)c1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 780187924 YPUDPTTWLLUMPW-ZWSXMNCCSA-N 298.773 3.773 30 20 CHED N#Cc1ccc2c(c1)N(Cc1cc(F)ccc1Cl)CC2 1459889589 PRZKENVOVZYQRA-UHFFFAOYSA-N 286.737 3.913 30 20 CHED COc1cc(NN=Cc2cc(C#N)cs2)ccc1Cl 788472802 ZTUOTJLJBUMYKL-UHFFFAOYSA-N 291.763 3.728 30 20 CHED CCSc1ccc(C(=O)OCCCC(C)(C)C#N)cn1 783439662 UKANGKVZOARWBC-UHFFFAOYSA-N 292.404 3.680 30 20 CHED Cc1ccc(C#N)cc1NCc1nc(C)c(C)s1 88525755 XVHGMQGKFQLYGK-UHFFFAOYSA-N 257.362 3.552 30 20 CHED C=C1CC(c2noc(-c3oc(Br)cc3C)n2)C1 896883564 FCAPQUZTRQRBOD-UHFFFAOYSA-N 295.136 3.834 30 20 CHED CCSc1cccc(CN2CCC[C@@H](C#N)C2)c1 896505638 PFKZYVKTUXMDDT-AWEZNQCLSA-N 260.406 3.534 30 20 CHED C=CCCN(OCc1ccccc1)c1cc(CC)ncn1 782442525 NRDFUPLJLHTLND-UHFFFAOYSA-N 283.375 3.553 30 20 CHED C=CCCN(C)C(=O)/C=C/c1ccccc1O[C@@H](C)CC 786669919 JPVOQSPSDORKOL-LHNRBYRGSA-N 287.403 3.912 30 20 CHED CCCC(=NN=C(C)c1cnccn1)c1ccsc1 785457064 CKKSIPKEAGNHJJ-UHFFFAOYSA-N 272.377 3.552 30 20 CHED N#Cc1ccc(-c2ccn(CCCCCF)n2)cc1 789592005 SHXZYOULVTUVLZ-UHFFFAOYSA-N 257.312 3.562 30 20 CHED CC(C)(CO)CNN=C1CCC[C@H]1c1ccc(Cl)cc1 799115545 ZDZSSNMHUVVVTD-AWEZNQCLSA-N 294.826 3.572 30 20 CHED CC[C@H](C)NN=Cc1cc(C)c(OC(F)F)c(C)c1 790181325 CTTIXPDDMRVWQF-NSHDSACASA-N 270.323 3.627 30 20 CHED C=C(C)COC(=O)c1cnn(C(CC)CC)c1CC 791580959 JAORMRHCDJJDDT-UHFFFAOYSA-N 264.369 3.540 30 20 CHED C=CCC1(C(=O)Nc2cnc(C(F)(F)F)nc2)CCCC1 891721042 RCFUIEBMTHUVNX-UHFFFAOYSA-N 299.296 3.570 30 20 CHED C=CCCSCCN[C@@H](C)c1cccc(C#N)c1 594710975 KQMGFFSQFXACBT-ZDUSSCGKSA-N 260.406 3.518 30 20 CHED C[C@H](N[C@H](C)CC#N)c1cc(Cl)ccc1Cl 187588152 UOISECMVZGPXIU-BDAKNGLRSA-N 257.164 3.946 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCC2(C#N)CCCC2)cc1 796822319 BTEMJFCPJUTFAI-UHFFFAOYSA-N 296.370 3.729 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccnn2C(C)C)c1 794933702 LHFSDDHACIISCZ-FPLPWBNLSA-N 268.360 3.977 30 20 CHED CC(C[C@H](C)CC(C)C)=NNCCC(F)(F)F 794553717 XGRPXNHWPQJBFK-SNVBAGLBSA-N 252.324 3.977 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccc(Cl)cc1F 797887134 GRWHMXGHULDCIC-UHFFFAOYSA-N 293.681 3.609 30 20 CHED FC(F)CNN=Cc1c[nH]c2cc(Cl)cc(Cl)c12 790167706 JHVDPRCMSXJNOK-UHFFFAOYSA-N 292.116 3.663 30 20 CHED COc1c(C)cc(C(C)=NOCCSC)cc1Cl 794938575 RDPDRAKTXLNZAL-UHFFFAOYSA-N 287.812 3.761 30 20 CHED CC1(C)CCC[C@@H](C=NNCCC(F)(F)F)C1 794552069 KILATUBWLUGROO-SNVBAGLBSA-N 250.308 3.731 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Br)cc2)no1 791430527 CENOILUYSIKKKP-DAXSKMNVSA-N 292.132 3.642 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1C[C@H](C)N(C2CC2)C1 793530855 GIZAQXPSPRLCOQ-JYJNAYRXSA-N 264.457 3.726 30 20 CHED Cc1noc(C)c1C=NNCc1c(Cl)cccc1Cl 793115959 UWHIPIYCFDCCFR-UHFFFAOYSA-N 298.173 3.722 30 20 CHED C=CCC(C)(C)C(=O)Oc1cccc(NC(=O)C(C)C)c1 796883294 PSLGEGUPJGMXMN-UHFFFAOYSA-N 289.375 3.789 30 20 CHED C=CCCOCCN[C@H](C)c1ccccc1C(F)(F)F 90883549 DJZDVMHCONXCCX-GFCCVEGCSA-N 287.325 3.949 30 20 CHED Cc1ccc(C#N)c(NCc2ccc3occc3c2)n1 1307160162 IWMLVDSEKDHWFM-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1155837911 KXKYJZIMBJZGMX-REBRKWNGSA-N 287.428 3.739 30 20 CHED Nc1ccc(C=NNc2ccc3ccccc3n2)cc1Cl 1319432082 FHLZDDNVZCVOGE-UHFFFAOYSA-N 296.761 3.916 30 20 CHED CCC(=NNCC1CCOCC1)c1ccc(Cl)s1 1318557481 MAYWQUFDQSBVIB-UHFFFAOYSA-N 286.828 3.532 30 20 CHED C#CC1CCN(C(=O)Nc2c(C)cc(Cl)cc2C)CC1 1326811128 SOORKRAGABOVGB-UHFFFAOYSA-N 290.794 3.834 30 20 CHED CC(C)CC[C@@H]1CCCN1c1cccc(CC#N)n1 1320490100 KKASGJQVORNRHG-HNNXBMFYSA-N 257.381 3.553 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)s1 1174758743 FUHZXSSSECPOEQ-WFASDCNBSA-N 260.406 3.774 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(SCC)cc1 1325620533 ZVYQXSCMSQDOSV-JSGCOSHPSA-N 265.422 3.650 30 20 CHED C=CC[C@@H](NC[C@H](C)c1cccc(Cl)c1)C(=O)OCC 1320765787 DMJSFTCEZVTELA-SWLSCSKDSA-N 295.810 3.541 30 20 CHED CC(C)c1nc(C=NNc2ccccc2[N+](=O)[O-])cs1 1321898745 NEPDOLPVYJENQK-UHFFFAOYSA-N 290.348 3.621 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1c1cccc(CC#N)n1 1334305097 XNSIHQKYFNWPKO-QAPCUYQASA-N 291.398 3.920 30 20 CHED CC1=C(C)C[C@@H](C(=O)[C@@H](C#N)c2cccc(F)n2)CC1 1263385620 XPXMFUXTQGWPRT-STQMWFEESA-N 272.323 3.533 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@H]1CCCc2cccnc21 1346106293 AHJSNXTXVTVNHO-JSGCOSHPSA-N 259.349 3.605 30 20 CHED Cc1ccc(CSCCCOc2ccc(C#N)cc2)cn1 1346539540 BORCUCHHQWOGCB-UHFFFAOYSA-N 298.411 3.964 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](CCC)c1ccccn1 1262654928 WNNUQQQOTQNRSY-HOTGVXAUSA-N 286.419 3.923 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@H](c1ccccc1)C(C)C 1347337594 KGGUFAQAFPDFKB-CVEARBPZSA-N 295.386 3.519 30 20 CHED C=C(C)CCC(=O)N1CCS[C@@H](c2ccccc2)C1 1358173124 KEBSOUQZDLDAKY-OAHLLOKOSA-N 275.417 3.659 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N(CC)C1CC1 1286627530 IEIDBASYTCFUBX-UHFFFAOYSA-N 294.830 3.677 30 20 CHED C[C@@H](OC(=O)[C@H]1CC2CCC1CC2)c1cccc(C#N)c1 1457757718 HEXDDXCGOMLKHF-PSQDLTRKSA-N 283.371 3.989 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C#N)ccc1C 1456712168 JQFHHNNXSCGOKS-GUYCJALGSA-N 284.403 3.908 30 20 CHED CCc1ccc2c(c1)CCN2CCc1ccc(C#N)cc1 1460927234 BGVMECMKPOIHMC-UHFFFAOYSA-N 276.383 3.726 30 20 CHED CSc1ccc(CNc2cc(C)cc(C#N)c2)o1 1461584768 YHAHYHBBKGSJDS-UHFFFAOYSA-N 258.346 3.794 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCC1 1532867580 GWOQVIMYZQMRIR-SECBINFHSA-N 296.292 3.952 30 20 CHED C=C(C)c1cccc(NC(=O)c2ccc(C)c(C(=O)O)c2)c1 1602771808 AHQZOXBWOJSDRG-UHFFFAOYSA-N 295.338 3.979 30 20 CHED CCc1cccc(COc2ccc(C#N)c(F)c2)c1 1472990247 SUILMJDNBIWCQK-UHFFFAOYSA-N 255.292 3.839 30 20 CHED N#Cc1ccnc(SCCc2ccc(Cl)cc2)c1 1472978670 UGTSZDPJDRBKEH-UHFFFAOYSA-N 274.776 3.941 30 20 CHED CCc1ccc(CNc2nc(C)cc(C)c2C#N)s1 225720015 VBBLFVSRZLQGMF-UHFFFAOYSA-N 271.389 3.806 30 20 CHED Cc1ccc(NN=C2CCC[C@@H]2C(C)(C)C#N)cc1C(=O)O 1610509422 HTYZKNYSGJLPQN-AWEZNQCLSA-N 299.374 3.811 30 20 CHED Cc1nc(N(CC2CCC2)CC2CC2)c(Cl)cc1C#N 1559176212 UCRDPCRGMVKAOH-UHFFFAOYSA-N 289.810 3.932 30 20 CHED Cc1ccc(N(CCO[C@H](C)C#N)CC(C)C)c(C)c1 1646924403 XSGZSTRLIBRERK-MRXNPFEDSA-N 274.408 3.695 30 20 CHED Cc1ccc([C@H](C)Nc2ncc(C#N)cc2F)s1 1642139977 DLFBMDGMDRNUJO-VIFPVBQESA-N 261.325 3.635 30 20 CHED COc1ccc(Cl)cc1CSc1cccnc1C#N 1641128166 BTYONACFSODRPO-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C[C@@H](Nc1c(C#N)cccc1C#N)c1ccc(F)cc1 1643270997 YHOMRLMHEKVKJZ-LLVKDONJSA-N 265.291 3.742 30 20 CHED O=C1/C(=C/c2ccc(O)cc2)CCc2ccc([N+](=O)[O-])cc21 999048 HQPCYRNRNQFHJH-UKTHLTGXSA-N 295.294 3.513 30 20 CHED C[C@@H](NCc1ccc2[nH]ccc2c1)c1cccc(C#N)c1 1658597127 WPEDTCZNKVOQKB-CYBMUJFWSA-N 275.355 3.890 30 20 CHED N#Cc1cc(Sc2nc(-c3ccccc3)co2)ccn1 1651023118 XPEANESCAFLCMT-UHFFFAOYSA-N 279.324 3.759 30 20 CHED CCC[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 230649602 QMLOTLAUHLMBHR-OAHLLOKOSA-N 260.356 3.852 30 20 CHED C[C@@H]1C/C(=C/c2cc(C(=O)O)co2)C(=O)c2ccccc21 1594195989 FNKYGVNWQKPUTI-PAKSIRSJSA-N 282.295 3.751 30 20 CHED CC(C)CC1(CNC(=O)N2CCC[C@H](C#N)C2)CCCC1 1678760901 NURDGSBZFCBRSS-OAHLLOKOSA-N 291.439 3.538 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCC2=CCCCC2)C1 1776153059 GRGJCDAXKNHSME-QGZVFWFLSA-N 277.408 3.620 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)[C@@H](C)C1 1776074535 GIJABZMOTPMKNK-UWVGGRQHSA-N 278.327 3.748 30 20 CHED CCC(CC)CC=NNc1ccc(C(=O)O)cc1OC 1776049922 AEMOHUASBPVQMT-UHFFFAOYSA-N 278.352 3.617 30 20 CHED C=CCCCN(C)[C@@H](C(=O)O)c1ccc(F)c(Cl)c1 1776174019 BAXDUOBBPIXDGJ-CYBMUJFWSA-N 285.746 3.503 30 20 CHED O=C(O)c1ccc(/C=C2/CCc3ccsc3C2=O)s1 1777673142 BOERAUYLDLGCIG-CLFYSBASSA-N 290.365 3.720 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)CCc1ccc(C#N)cc1 150770447 NRFPFIATOXGACJ-CABCVRRESA-N 284.403 3.528 30 20 CHED N#CCCCCSCc1ccn(-c2ccccc2)n1 161739570 ZSDXIQIWNLMCDW-UHFFFAOYSA-N 271.389 3.799 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C2CC2)cccc1-c1ccccn1 163815885 LHDQLUIRMPEQIF-KRWDZBQOSA-N 292.338 3.516 30 20 CHED C=CCN(C(=O)c1cc(C)ccc1Br)C1CC1 165368667 YZKLUWJDSFJABB-UHFFFAOYSA-N 294.192 3.548 30 20 CHED O=C(/C=C/c1cccc(-n2cccn2)c1)c1cccs1 157182316 JBWRNGYGXVIDOG-BQYQJAHWSA-N 280.352 3.830 30 20 CHED C=CCC[C@H](NC(=O)c1oc(C)nc1C)c1ccccc1 154209570 ZPBPSGDMSLYSJB-HNNXBMFYSA-N 284.359 3.729 30 20 CHED C=CCCCCCN(C)C(=O)c1sccc1C 156742925 JWNCXTRTNJVCLQ-UHFFFAOYSA-N 251.395 3.875 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccnc(C)c1Cl 159679540 LTPAKRNHMOLJRV-JTQLQIEISA-N 281.787 3.910 30 20 CHED C#Cc1cccc(NCc2ccc([C@@H]3C[C@H]3C)o2)c1 19876852 UMGNEKZQBXAOPA-MLGOLLRUSA-N 251.329 3.996 30 20 CHED O=C(/C=C/c1ccc(N2CCCC2)cc1)c1ccc(O)cc1 31643655 VXLYMPKTVKYQMC-LFYBBSHMSA-N 293.366 3.889 30 20 CHED C[C@H](Cc1cccs1)Nc1ccc([N+](=O)[O-])c(C#N)c1 127816063 LUYFVGYDDRJVQW-SNVBAGLBSA-N 287.344 3.571 30 20 CHED Cc1cccc(C(=O)Nc2ccc(F)cc2C#N)c1C 135155940 FFIULBMNKZJTKL-UHFFFAOYSA-N 268.291 3.567 30 20 CHED COc1cccc(Sc2ccc([N+](=O)[O-])cc2C#N)c1 24216010 ZNMTVBLCSNMGFO-UHFFFAOYSA-N 286.312 3.626 30 20 CHED CC1CCC(N(C)Cc2ccc(C#N)cc2F)CC1 42316484 UDQQFNCLEAOLRM-UHFFFAOYSA-N 260.356 3.708 30 20 CHED CC(C)(CCC#N)CNCCc1cccc(Cl)c1 174243411 RLRJDNZGOVPBMD-UHFFFAOYSA-N 264.800 3.802 30 20 CHED Cc1cc(C)cc(CNc2ccc(OCC#N)cc2)c1 49857815 YIKZVNLIMUMEKK-UHFFFAOYSA-N 266.344 3.818 30 20 CHED C#CCCCCC(=O)Nc1cc(Cl)ccc1F 179670772 RSVMFAXXBAPIBJ-UHFFFAOYSA-N 253.704 3.611 30 20 CHED C=CCC[C@@H](C)NCc1cnccc1C(F)(F)F 663470885 NUXAQLPVRNMHCX-SNVBAGLBSA-N 258.287 3.545 30 20 CHED N#CCCCCNCc1csc(Cl)c1Cl 308853532 IOSPOKOFDUOBMY-UHFFFAOYSA-N 263.193 3.838 30 20 CHED C#C[C@@H](NCc1csc(Br)c1)C(C)(C)C 309078691 NGINNCUCTUDBIF-SNVBAGLBSA-N 286.238 3.648 30 20 CHED Cc1ccc(N(C)Cc2ccc(C#N)c(F)c2)cc1 404257343 MSYOISWLXWTOQI-UHFFFAOYSA-N 254.308 3.642 30 20 CHED Cc1nc(N(C)[C@H](C)c2ccccc2F)ccc1C#N 312523757 UONVAUVMVIDIBN-GFCCVEGCSA-N 269.323 3.598 30 20 CHED N#C[C@H](/N=C(/O)[C@H]1CCCSC1)C1CCCCC1 329646793 AGBWKQXRGHCGBM-STQMWFEESA-N 266.410 3.559 30 20 CHED O=C1CCC(C(O)=Nc2nc3c(s2)CCCCC3)CC1 329884562 SOPXVIWQLPJMAQ-UHFFFAOYSA-N 292.404 3.759 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc(Br)s1 336726943 BVXZXIXNSGFGMF-SECBINFHSA-N 299.237 3.855 30 20 CHED C=CCCCCN1CCCO[C@H](c2ccccc2)C1 649287088 AYDAKFBPUNPWJO-KRWDZBQOSA-N 259.393 3.806 30 20 CHED N#Cc1cc[nH]c(=NCc2cc3ccccc3s2)c1Cl 557538195 XNQOMHGJBKLNAJ-UHFFFAOYSA-N 299.786 3.855 30 20 CHED N#Cc1cccc(Nc2cccc3ccsc23)n1 386404422 IKNTYUSAPUEHDC-UHFFFAOYSA-N 251.314 3.912 30 20 CHED C=CCOC(=O)CCc1ccc(Cl)cc1Cl 913297536 ZBRWHSUGYNLNDP-UHFFFAOYSA-N 259.132 3.655 30 20 CHED C=CCCOC(=O)Cc1ccc(Cl)cc1Cl 729073215 GWUQJLPAIQKIKS-UHFFFAOYSA-N 259.132 3.655 30 20 CHED CSCc1cccc(Nc2nnc(C)c(C)c2C#N)c1 109321786 VMYKPRLDWMNNFJ-UHFFFAOYSA-N 284.388 3.572 30 20 CHED CC(C)(NCc1ccc(C#N)cc1)c1ccc(F)cc1 103173227 YIPNFVZTEFAGPK-UHFFFAOYSA-N 268.335 3.722 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(C#N)cc1 341243650 RFJYYFHDCWPFFB-NEPJUHHUSA-N 259.353 3.504 30 20 CHED COc1ccc([C@H]2CCCCCN2CCC#N)cc1 52711741 KISLIEDCCKTSJC-MRXNPFEDSA-N 258.365 3.526 30 20 CHED CC(C)(C)CCCC(=O)N[C@H](C#N)C1CCCCC1 176584964 DOUWHZFRFYIULB-CQSZACIVSA-N 264.413 3.791 30 20 CHED CC(C)(Cc1cccc(Cl)c1)C(=O)OCCCC#N 175758492 KKCRHDINBQXMIQ-UHFFFAOYSA-N 279.767 3.756 30 20 CHED C#CCCCCC(=O)N(CC)c1cc(C)cc(C)c1 119576648 DLRWNVMZKNTLIF-UHFFFAOYSA-N 257.377 3.850 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc(Cl)cc1C 59456174 PCWPQYMMNFMJQG-ZDUSSCGKSA-N 293.794 3.616 30 20 CHED CC(=O)Nc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1 114992403 VNEHOMWYPNAFFE-RIYZIHGNSA-N 295.313 3.607 30 20 CHED C[C@H](Nc1c(C#N)cccc1C#N)c1cccs1 302827217 HSRYVBZTBMHWEZ-JTQLQIEISA-N 253.330 3.665 30 20 CHED N#Cc1cccc(C#N)c1NCCOC1CCCCCC1 302905499 VWHLNMCPMFYBCD-UHFFFAOYSA-N 283.375 3.581 30 20 CHED N#Cc1cc(F)c(N2CCCCCCC2)c(F)c1 63507880 XWLQVROYMNDOOB-UHFFFAOYSA-N 250.292 3.607 30 20 CHED CC[C@H](Nc1ccc(C#N)nc1)c1ccc(F)cc1F 301504274 ICLPUZXQASLFHW-HNNXBMFYSA-N 273.286 3.795 30 20 CHED CCCCCCC(=O)N[C@](C)(C#N)CCc1ccccc1 110844510 YTZKVRALHFPYHB-SFHVURJKSA-N 286.419 3.988 30 20 CHED C=CCC[C@@H](C)NCCC1CC(OC(C)(C)C)C1 432410980 UDQYFXINWOEZKA-WLYUNCDWSA-N 253.430 3.915 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1ccc(O)c(Cl)c1 119257172 SVIOMHKNZCHFOE-XVNBXDOJSA-N 274.703 3.647 30 20 CHED C=CC[C@@H](C)NC(=O)CCCc1ccc(Cl)cc1 116851887 LOGRGGQSIVARKM-GFCCVEGCSA-N 265.784 3.744 30 20 CHED C=C(C)CCC(=O)N(C)c1ccc(Cl)cc1F 1340722377 JFLZPWFOXCHPKJ-UHFFFAOYSA-N 255.720 3.798 30 20 CHED C=CCCCC(=O)N1CCC(Nc2ccc(F)cc2)CC1 175419106 HSRXFSRYMLZLGD-UHFFFAOYSA-N 290.382 3.585 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cccc(Cl)c2Cl)C1 179922939 VJLBDHZBISDWHK-IUCAKERBSA-N 284.142 3.842 30 20 CHED Cc1cc(Cl)ccc1C(=O)[C@H](C#N)c1cccc(F)n1 1344007157 XTFLRSUPNNWRAQ-GFCCVEGCSA-N 288.709 3.673 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1ccc2cc(C#N)ccc2n1 301981220 QCMHXCJAYRUAPR-RISCZKNCSA-N 251.333 3.707 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1 122225072 KOQSLMXHPGLUFU-UONOGXRCSA-N 275.417 3.585 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@H]2CCC[C@H](C)C2)n1 122406381 VIBFNCBWRGUGEO-WCFLWFBJSA-N 276.405 3.844 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F 181133876 ZJAZBVBZSIGJMD-NXEZZACHSA-N 280.334 3.617 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C(C)C)c(O)cc1C 184767696 OSNPJVBRISKUIP-UHFFFAOYSA-N 273.376 3.812 30 20 CHED N#C[C@H](NC(=O)c1sccc1Cl)C1CCCCC1 126470352 MVFSJJVUUVRDLK-NSHDSACASA-N 282.796 3.604 30 20 CHED N#Cc1cccc(CNC(=O)NCCC2=CCCCCC2)c1 183840607 OJMPMGFSJQMGKV-UHFFFAOYSA-N 297.402 3.638 30 20 CHED C[C@@H](CC#N)NC(=O)C1(C2CCCCC2)CCCCC1 408286943 PDULIOJSKKYJJH-AWEZNQCLSA-N 276.424 3.936 30 20 CHED C#CCCCCC(=O)NC1(c2ccc(Cl)cc2)CC1 120137601 BKJVFBXAJZJDPS-UHFFFAOYSA-N 275.779 3.639 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1O 212545135 GEAGLMJWNVWSIG-SREVYHEPSA-N 297.310 3.813 30 20 CHED Cc1ccc(NC(=O)N(CCC#N)CCC(C)C)c(F)c1 78456541 ONIKDDWKCBTLDG-UHFFFAOYSA-N 291.370 3.928 30 20 CHED C=CCOCCS[C@@H](C)c1nc(-c2cccs2)no1 419391919 XRIBQDDHHTZMFZ-JTQLQIEISA-N 296.417 3.795 30 20 CHED CC(C)(C#N)CCCN1CCc2c(F)cccc2C1 152685703 FSLQINKFODDXJU-UHFFFAOYSA-N 260.356 3.514 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(C)c1F 182339775 JTCZWICTZUUIDG-UHFFFAOYSA-N 285.318 3.951 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1C#N 410556979 LLMXSAWAIAHSAN-FZMZJTMJSA-N 274.339 3.852 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)c2ccc(F)cc2F)n1 127520101 IWETVKHGUDKENP-SNVBAGLBSA-N 273.286 3.713 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc([C@H](C)C(=O)OC)c1 412552177 TXNFMVRAOMBZQS-LBPRGKRZSA-N 289.375 3.504 30 20 CHED O=C(/C=C\c1ccc(O)cc1)c1c[nH]c2ccccc12 214335313 MFYFKHPBVNSWOH-YFHOEESVSA-N 263.296 3.770 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@@H](CCC#N)c1ccccc1 181159580 PIRZPKWFECHRCV-LZWOXQAQSA-N 272.392 3.830 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@@H](CC)CC#N 183813172 MOZFGPRLHXPLTD-KBPBESRZSA-N 252.402 3.791 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)C1(C#N)CCCCC1 412802755 BLXZONVSGZIZGR-KBPBESRZSA-N 276.424 3.791 30 20 CHED Cc1ccc([C@H]2CCN([C@H](C)CCC#N)C2)c(C)c1 411660351 SBEAPQQMJHFCQQ-CVEARBPZSA-N 256.393 3.785 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1CSc2ccccc21 329306823 BHJPQAXGYJXJDI-GFCCVEGCSA-N 288.372 3.697 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1c1cccc(C)c1C 192133904 NGSXEMZLCYUCJX-KRWDZBQOSA-N 269.388 3.770 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cc(C3CC3)ccn2)CCC1=O 329663554 PDZPAIWRWLNPDL-MFKMUULPSA-N 272.348 3.552 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccc2c(c1)CCO2 194576297 WBNMPSYJAZFBMA-GQCTYLIASA-N 296.370 3.538 30 20 CHED COC[C@@H](C)Nc1ccc(Oc2ccccc2)c(C#N)c1 428408563 KMMRAARWAIHZBT-CYBMUJFWSA-N 282.343 3.797 30 20 CHED Cc1c([C@H](C)/N=C(/O)N2CCCCO2)oc2ccccc12 328722415 XMMBJDGDRLXTLR-LBPRGKRZSA-N 288.347 3.744 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1N(C)C(C)C 425292116 VYASFIZNIFILAA-UHFFFAOYSA-N 297.358 3.557 30 20 CHED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCC(C)(C)C#N 512919195 XSSOSXJRODLOIT-CQSZACIVSA-N 299.418 3.546 30 20 CHED Cc1cccc(F)c1NC(=O)N(CCC#N)CCC(C)C 133458917 BAMSGHASKHWKAP-UHFFFAOYSA-N 291.370 3.928 30 20 CHED Cn1cc(CNc2ccccc2CC(F)(F)F)cc1C#N 191440563 CVPWTBWYOSEKBW-UHFFFAOYSA-N 293.292 3.614 30 20 CHED C=CCCCN1CCN(CCCC=C)[C@@H]([C@@H](C)CC)C1 510414228 RRWDXBIZDMTNEE-ZWKOTPCHSA-N 278.484 3.951 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCC[C@H](C(C)(C)C)C1 513146601 DYFJDOXDDZUOQR-AWEZNQCLSA-N 293.455 3.784 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCCC[C@@H]1C 424800417 ZSLBPVVEVYZEOL-HOCLYGCPSA-N 275.392 3.663 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)cc1Cl 136166022 HFCQPDRFESNNAC-LBPRGKRZSA-N 271.147 3.872 30 20 CHED Cc1cc(CCCC(=O)N[C@H](C#N)C(C)(C)C)c(C)s1 85437132 GIZZZSNZDWYRHG-CQSZACIVSA-N 292.448 3.742 30 20 CHED C=CCCCCCn1cnc2cc(F)c(C)cc2c1=O 195394455 XTVMLEQKAMDIRW-UHFFFAOYSA-N 274.339 3.590 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 424974966 GDLLVPKCVWBWOI-XHSDSOJGSA-N 276.424 3.647 30 20 CHED C#Cc1cccc(NCc2ncc(C(C)C)s2)c1 130452546 RPWHKUKVYAXDGX-UHFFFAOYSA-N 256.374 3.860 30 20 CHED CC(C)Oc1ccccc1NC(=O)Cc1ccc(C#N)cc1 194738619 HSJNJJIAKKZINE-UHFFFAOYSA-N 294.354 3.527 30 20 CHED CCCCCCCCCN(C)C(=O)c1c(C)nn(C)c1C 194826413 BOYWUOAXOLBAGX-UHFFFAOYSA-N 293.455 3.860 30 20 CHED C[C@H](NC[C@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 192930243 ALDOQSNPYACBOX-HNAYVOBHSA-N 293.414 3.512 30 20 CHED C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)CC#N)C1 336413187 KFCUUXMDYLWQGB-GWCFXTLKSA-N 296.292 3.529 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Cl)c2ncccc12 510787146 LGXKWTZIGMTJTR-LLVKDONJSA-N 288.778 3.973 30 20 CHED CC(C)Cc1ccc([C@H](NC(=O)[C@@H](C)C#N)C(C)C)cc1 510379253 QAXAXYOMXQGUTO-WMLDXEAASA-N 286.419 3.858 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc2c1OCC[C@H]2OC 424850236 IVFHLOIZOOETLJ-CQSZACIVSA-N 289.375 3.697 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccnc(SCC)c1 427889034 ZJRUIEYJRVBFEV-OLZOCXBDSA-N 264.438 3.884 30 20 CHED C=CCCCCCN(C)C(=O)NCC(C)(C)CC 429030434 RSKWPPMSZXZNLI-UHFFFAOYSA-N 254.418 3.810 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 332735334 XVPJRJONCUITMN-ANQUJSFKSA-N 276.424 3.647 30 20 CHED C=CC[C@@H](CC)NC(=O)c1sc(CC(C)C)nc1C 337098440 TUOYZEWICGGHBM-GFCCVEGCSA-N 280.437 3.735 30 20 CHED COc1cccc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)c1 93901718 MOZDNWSZMOSWJE-MDZDMXLPSA-N 298.386 3.622 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(-c2ccccc2)o1 93090383 SYFDBJPFTBPHED-ZDUSSCGKSA-N 254.333 3.681 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc(SC)ccc1Cl 339170526 XSDLOODZKSTHFO-JTQLQIEISA-N 296.823 3.826 30 20 CHED CCN(Cc1cc(C)c(C)cc1OC(F)F)C[C@@H](C)C#N 91984007 RJMXGWHPBWTNQC-NSHDSACASA-N 296.361 3.886 30 20 CHED Cc1cc(C)c(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)n1 334490531 JAUZJHCRHWXTAP-ZDUSSCGKSA-N 293.370 3.621 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 331410532 FXXNMCMKHARGDZ-KBPBESRZSA-N 287.407 3.530 30 20 CHED Cc1cc(N/C(O)=N/CC(C)(C)CCO)cc(C)c1Cl 331288463 ZTRSORPTJMYEQI-UHFFFAOYSA-N 298.814 3.691 30 20 CHED N#CC1(c2nc(-c3cccc(C(F)(F)F)c3)no2)CCC1 336015506 VDZBYIJHRADTES-UHFFFAOYSA-N 293.248 3.701 30 20 CHED Cc1c(F)cccc1NC(=O)c1cc(C#N)ccc1Cl 335421100 CNIGTKOFSQUULM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 435025782 FVVXRUNGGMSXRC-GDBMZVCRSA-N 296.414 3.532 30 20 CHED C=CCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 162261912 KBTONRNKEQIVNC-SNVBAGLBSA-N 269.797 3.513 30 20 CHED Cc1cc(F)cc(/C(O)=N/[C@](C)(C#N)CC(C)C)c1 330477949 JSVJHSPWTGRFLT-HNNXBMFYSA-N 262.328 3.767 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)NCC1(CC#N)CC1 430749918 MAYIEJYVDVEUKB-NSHDSACASA-N 277.437 3.919 30 20 CHED C[C@@H]1CCC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 337559735 UMLWAGYZZFCORT-CSMYWGQOSA-N 254.377 3.714 30 20 CHED C=CCC[C@@H](NC[C@H](c1ccsc1)N(C)C)C1CC1 439089488 VFHCDSRXRKPRJV-HZPDHXFCSA-N 278.465 3.685 30 20 CHED Cc1ccc(CN(C)C(=O)c2cc(C#N)ccc2Cl)cc1 349382363 BBDBOVZLMCCDDS-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C=CC1CCN(C(=O)[C@@H](OC(C)C)c2ccccc2)CC1 340159484 MBVOQDIUCZNWOW-KRWDZBQOSA-N 287.403 3.577 30 20 CHED CC(C)(C#N)CCN1CC=C(c2ccc(C#N)cc2)CC1 345954570 QKQGUZAFVCRXAB-UHFFFAOYSA-N 279.387 3.587 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 248898582 UFENXRGTXUQQKT-XNRPHZJLSA-N 288.366 3.711 30 20 CHED C[C@@H](c1ccccc1Cl)N(C(=O)[C@H](C)C#N)C1CC1 344059964 QSGZOXTZCUZWAH-MNOVXSKESA-N 276.767 3.552 30 20 CHED C[C@@H](SCCC(C)(C)C#N)C(=O)N(C)c1ccccc1 341995768 DGRUCNVQCWBPEY-CYBMUJFWSA-N 290.432 3.711 30 20 CHED CC1(CC(=O)N(C2CC2)C2(C#N)CCC2)CCCCC1 341610600 FNFACPDKOBHLMB-UHFFFAOYSA-N 274.408 3.784 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 439978228 ITZNHGJUWDRLRL-WBVHZDCISA-N 288.435 3.922 30 20 CHED Cc1csc([C@H](C#N)C(=O)CC2(c3ccccc3)CC2)n1 528910711 UIMRCXQIAGLEJK-CQSZACIVSA-N 296.395 3.750 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 344059583 ZHVSUVVWECIDLQ-RHSMWYFYSA-N 291.366 3.758 30 20 CHED CCN(Cc1c(F)ccc(F)c1Cl)C[C@H](C)C#N 529524731 HUQGSHZPRTZYBY-SECBINFHSA-N 272.726 3.600 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](CC(F)(F)F)C(C)C 438613294 UBXMFVZQTXXTFS-LBPRGKRZSA-N 277.330 3.848 30 20 CHED CCOc1cccc(Cl)c1CN(CC)C[C@H](C)C#N 521639951 RDDKQWYZTPGYGA-GFCCVEGCSA-N 280.799 3.720 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@@H]1NCC(C)(C)CCC#N 348227992 NSTVUTAILBKXDN-BLLLJJGKSA-N 274.383 3.979 30 20 CHED Cc1ccnc(N[C@@H](C)c2ccc(F)c(F)c2)c1C#N 343523124 XVLOLUFQGRRLCF-JTQLQIEISA-N 273.286 3.713 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(C#N)cc1 437930765 KLMHVSWLFWISEC-GFCCVEGCSA-N 299.296 3.657 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2cscc2s1 528598011 PGIBKTFYFQBIKR-MRVPVSSYSA-N 251.376 3.657 30 20 CHED CC(=O)c1ccc(NCC(C)(C)CCC#N)c([N+](=O)[O-])c1 340906876 WSNNHWXBTWUZKU-UHFFFAOYSA-N 289.335 3.539 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CC=CC[C@@H]2C)s1 340868374 JORIUCNBGFBCEX-GWCFXTLKSA-N 274.389 3.723 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 608804127 MCTYMPZIDRMDHL-UHFFFAOYSA-N 293.326 3.650 30 20 CHED COc1cc(C#N)ccc1CSc1ncc(C(C)C)[nH]1 600584077 JIODIVQQJCYLLC-UHFFFAOYSA-N 287.388 3.706 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 520013475 MIRAYZFMCAZISB-QLFBSQMISA-N 281.440 3.689 30 20 CHED Cc1c(C(=O)/C=C\c2cccs2)cnn1-c1ccccn1 255354619 MXLZHGNAUINYBQ-FPLPWBNLSA-N 295.367 3.533 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1cccc(OC(F)F)c1 602514502 KGAWDHVZFDOSLX-RYUDHWBXSA-N 282.334 3.878 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CC)C1CCCCC1 604897662 USLPPVQMOLZPRH-TZMCWYRMSA-N 252.402 3.609 30 20 CHED C=CCCN(C)[C@H]1C[C@@H](OCC)C12CCCCC2 525123852 DNZYRUKZZZMGHE-LSDHHAIUSA-N 251.414 3.622 30 20 CHED COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](C)CCC#N 602638720 GSZQSXAOKYLAEH-CJNGLKHVSA-N 294.826 3.899 30 20 CHED N#Cc1cccc(CN[C@H](CC2CCC2)c2ccccc2)n1 602600424 JIKPRYXYXMCIGT-LJQANCHMSA-N 291.398 3.974 30 20 CHED C=CCC1(C(=O)NCCCN2CCCCC2)CCCCC1 448598385 SVMOGTRYGOITJH-UHFFFAOYSA-N 292.467 3.505 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc2cc(OC)ccc2c1 538197905 MKSVWYNAVUDVNE-GJZGRUSLSA-N 299.414 3.684 30 20 CHED COc1ccc(C2(N[C@H](C)c3ccc(C#N)cc3)CC2)cc1 539624330 MYTWFKCCQZTHLO-CQSZACIVSA-N 292.382 3.907 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccccc2OCC(F)(F)F)C1 442869093 AMDMYVOADFUSPG-MNOVXSKESA-N 284.281 3.732 30 20 CHED CC[C@@H](C)[C@@H](C)NCCSCc1ccccc1C#N 536856955 IBMKJZMJGJBDQP-ZIAGYGMSSA-N 276.449 3.816 30 20 CHED CCSCc1ccc(Br)cc1C#N 260836392 RFBYVURNKOKPTP-UHFFFAOYSA-N 256.168 3.574 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCOc2ccc3ccccc3c2)C1 442799557 ZBTASJBBHFBRMJ-CRAIPNDOSA-N 294.398 3.891 30 20 CHED CC1(C)CCCN(CCOc2ccccc2Cl)[C@@H]1C#N 444732734 WLHZMMLWNCURBK-OAHLLOKOSA-N 292.810 3.733 30 20 CHED C=C(C)[C@H](CC(=O)NCC[C@@H]1CCCC[C@@H]1C)OCC 535887614 FPGRKPPANOMYDV-JYJNAYRXSA-N 281.440 3.690 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)CCc1ccco1 539391551 KULBJOBBUSXTGR-ZIAGYGMSSA-N 278.396 3.645 30 20 CHED C=CCOCCCSc1nccn1-c1ccccc1 356040377 JSRRWWPGPSLNSK-UHFFFAOYSA-N 274.389 3.557 30 20 CHED CC#CCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 443540001 JNFSTIMAIOYDNW-UHFFFAOYSA-N 290.672 3.504 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)C#N)c1cccc(Cl)c1 350398777 HRKSPYQJSQYFFV-ZDUSSCGKSA-N 293.798 3.640 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccc(F)c(C)c2)CC1 357112761 CJGLEWUVVGJTSB-UHFFFAOYSA-N 275.367 3.839 30 20 CHED CC[C@@H]1CCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 353310909 HFHRYOMIWCYMKI-IAGOWNOFSA-N 284.403 3.865 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(-c2ccccc2C)c1 537232754 WAWODCMUGBAHMG-OAHLLOKOSA-N 297.402 3.655 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCc3ccccc32)c(F)c1 533311720 GRXASPWGQFBIHR-MRXNPFEDSA-N 294.373 3.907 30 20 CHED CCN(CC)c1ccc(NC2CCC(C)(C#N)CC2)cn1 449212783 UCLMTYLMNVDDTK-UHFFFAOYSA-N 286.423 3.812 30 20 CHED CC(C)Oc1cccc(OCc2ccccc2C#N)c1 535119994 HCQCQKJWVZFHCO-UHFFFAOYSA-N 267.328 3.924 30 20 CHED COCc1ccc(CN[C@@H](CCC#N)c2ccccc2)o1 269628354 SUIPLTQFDWWDBU-KRWDZBQOSA-N 284.359 3.561 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C)nc1C(C)C 450656012 ZNEFDYLWIHUQRM-CYBMUJFWSA-N 274.408 3.988 30 20 CHED C=CC(C)(C)CNC(=O)CCc1c[nH]c2cc(C)ccc12 452776210 QMRZBUMAKZYHEE-UHFFFAOYSA-N 284.403 3.737 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H]1C[C@H]1c1ccccc1 618741609 HCLOKINRNBDTBL-HOJAQTOUSA-N 288.394 3.939 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)c2cccc(F)c2)C1 617782652 JSRMBDZHSDPFHH-ZIAGYGMSSA-N 275.367 3.744 30 20 CHED C=C(CC)CNC(=O)C1(c2cccc(F)c2)CCCC1 456826394 IQOIRALWWDKDFD-UHFFFAOYSA-N 275.367 3.720 30 20 CHED Cc1ccccc1[C@H](C(C)C)N(C)CC1(C#N)CC1 539451900 CRYMTWLLKJZFPD-INIZCTEOSA-N 256.393 3.928 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(Cl)s1 539387243 FMPBJUSXZHXQRO-JTQLQIEISA-N 286.828 3.946 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(C)n(C2CCCCC2)c1C 362602094 SKOVOAWACDWRDP-GFCCVEGCSA-N 274.408 3.914 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(C)c1ccccc1C#N 269815605 IAUDLXLIRSUJIF-ZDUSSCGKSA-N 270.376 3.737 30 20 CHED CC(C)(CC#N)CNC(=O)N(CC1CC1)C1CCCCC1 459250763 ALDGFWBWFKXNIO-UHFFFAOYSA-N 291.439 3.681 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 610010386 RXGWKPSGNAWSDP-BBRMVZONSA-N 285.391 3.991 30 20 CHED C=C(CC)CNC(=O)N[C@H]1CCSc2ccc(F)cc21 454196490 QSHAOWBJGVLJGB-ZDUSSCGKSA-N 294.395 3.628 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1N=c1c(C#N)c[nH]c2ccccc12 610280211 HAZWYZZXGKNMMU-UYAOXDASSA-N 299.377 3.670 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCC1(C(F)F)CC1 360884532 RXZHNEIPWNZHPV-HNNXBMFYSA-N 290.357 3.961 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[C@H]1CCO 275030750 OHGSSXJTKALZJE-GXFFZTMASA-N 298.308 3.540 30 20 CHED Cc1nsc(Oc2ccc3c(c2)CCC3)c1C#N 360843506 YBUZKDDBDHVLAI-UHFFFAOYSA-N 256.330 3.604 30 20 CHED CC(C)(C)CCNC(=O)C(C)(C)Cc1ccc(C#N)cc1 454696803 MSMIMCVQKWRHJO-UHFFFAOYSA-N 286.419 3.679 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](C(C)C)C1 549603635 IUDUTLXAWFQQKT-OAHLLOKOSA-N 288.439 3.604 30 20 CHED Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)ccc1F 541800238 ISWITIOMYWGSFL-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1ccc(OC)cc1 455374986 YNALXYSYBVSNOI-CYBMUJFWSA-N 290.407 3.610 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@H](C)[C@H]1C 362819126 DFNGZKYTNZFLHL-QWHCGFSZSA-N 275.417 3.835 30 20 CHED CC[C@H](CC#N)NC(=O)C(C)(C)Cc1ccc(Cl)cc1 457763048 VAJMTWXJICYIHQ-CQSZACIVSA-N 292.810 3.717 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@H]2CCCN(c3ccccc3)C2)C1 369475376 DOIOUYOTCIHWLE-KZNAEPCWSA-N 297.446 3.575 30 20 CHED CC(C)(C)OCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 360391296 XEWCAOOJKLEOJA-SJORKVTESA-N 286.419 3.573 30 20 CHED N#CCCCNC(=O)N1CCC[C@H]1CCC1CCCCC1 541321297 HIOCNNNGESWOHV-INIZCTEOSA-N 291.439 3.825 30 20 CHED C=CCOCCCC(=O)N1CCC[C@@H]1c1ccc(C)cc1 369686626 XKRZNKDGIDDTMD-QGZVFWFLSA-N 287.403 3.641 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1c(F)cccc1Cl)OCC 271155617 NKNCOOZKQOXDHK-GFCCVEGCSA-N 286.730 3.756 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@](F)(c2ccccc2F)C1 549025239 GQCQWYDGBQOSDM-SJORKVTESA-N 293.357 3.825 30 20 CHED C/C=C(\C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 271595588 KMCKBKTUHOGSSX-RMKNXTFCSA-N 262.378 3.822 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)n([C@@H](C)CC)n1 620857577 BDRMRVPRFYCKJW-LBPRGKRZSA-N 277.412 3.637 30 20 CHED C=C(C)[C@H](CC(=O)NCC(C)(C)c1cccs1)OCC 270009904 AKANJVZHSNPYQH-ZDUSSCGKSA-N 295.448 3.513 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC[C@H](CSc3ccccc3)C2)C1 278704238 TWXHJVIBQALDEJ-OWCLPIDISA-N 286.444 3.793 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nc(C(F)(F)F)cs1 274616012 LDHSXAFTLNGKQP-XHNCKOQMSA-N 289.326 3.505 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)[C@H](C)COC 462313840 JKGAVWGPNZWZDL-HZPDHXFCSA-N 289.419 3.510 30 20 CHED CC[C@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)C(C)C 464157463 IVJOPJIRHCKWJX-IUODEOHRSA-N 252.402 3.503 30 20 CHED Cc1cnc(N(C)CC(C)(C)C#N)nc1-c1ccccc1F 549577036 DQSGCROZMOYUGP-UHFFFAOYSA-N 298.365 3.577 30 20 CHED C=CCCC(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C 468145428 MTHPQRPUSPRXFF-MRXNPFEDSA-N 263.356 3.947 30 20 CHED CC#CCNC(=O)c1c(F)cccc1Sc1ccccc1 467959934 SZJPZWDHCZOCKZ-UHFFFAOYSA-N 299.370 3.730 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCCCOc1c(C)cccc1C 464441724 ZYNBNEDFEFADEG-MRXNPFEDSA-N 289.419 3.791 30 20 CHED C=CC[C@H](CC)NC(=O)C1(Cc2ccc(F)cc2)CC1 281186970 ZGMUMBNJWOIYEI-HNNXBMFYSA-N 275.367 3.619 30 20 CHED C=CCCN(C)C(=O)NCC1(c2ccccc2Cl)CC1 466767558 POMIUBLFYFHODN-UHFFFAOYSA-N 292.810 3.589 30 20 CHED CC#CCCCC(=O)N(Cc1ccccc1C)C1CC1 464547187 JUAMOMPAPDBCCM-UHFFFAOYSA-N 269.388 3.680 30 20 CHED CC/C=C\CCOc1c(Cl)cc(C#N)cc1OC 469548615 BEKLLJQPOZDUHE-PLNGDYQASA-N 265.740 3.955 30 20 CHED CC#CCCN1CCC[C@H](COc2ccccc2Cl)C1 462337040 RPBBZGSJMOQSCN-HNNXBMFYSA-N 291.822 3.844 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC1CC(F)(F)C1 280323527 ITPSFKPLNPBWMJ-UHFFFAOYSA-N 294.345 3.572 30 20 CHED CC[C@H](C)CCC(=O)Nc1ncccc1OCCCC#N 285442712 XJBFNMOZKIABJE-ZDUSSCGKSA-N 289.379 3.529 30 20 CHED C=CCC[C@H](CCC)N[C@H](CO)Cc1ccc(C)cc1 467363667 DEMQSQJAQVBTKW-ROUUACIJSA-N 275.436 3.623 30 20 CHED CCN(CCCC1(C#N)CCOCC1)c1cccc(F)c1 281638317 BVTHCXIPECWCFS-UHFFFAOYSA-N 290.382 3.753 30 20 CHED CC(C)C1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 280010261 SQUWOQLMNDMBLS-UHFFFAOYSA-N 284.403 3.654 30 20 CHED C[C@@H](O)c1cc(NCC(C)(C)CCC#N)ccc1F 285370302 BWFLWJVYQDNYAN-LLVKDONJSA-N 264.344 3.621 30 20 CHED CC1(C)CCC(C)(CNC[C@H](C#N)CCC#N)CC1 557258477 RNOIRCXUHNBJJO-AWEZNQCLSA-N 261.413 3.626 30 20 CHED C=CCC[C@H](N[C@H]1CCn2ccnc21)c1ccccc1 297115517 YIDAXDXVCABHTK-HOTGVXAUSA-N 267.376 3.625 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CCC[C@@H]2C[C@@H]21 804290453 HKPPLRZYRZJRIZ-IKGGRYGDSA-N 295.467 3.889 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2nc(Cl)c(C#N)s2)o1 804359136 FQCAUUXVFSOJNO-APPZFPTMSA-N 293.779 3.997 30 20 CHED C[C@H](NCCO[C@H](C)C#N)c1cccc(Cl)c1Cl 801939740 RGMKZKIIRRUUFW-ZJUUUORDSA-N 287.190 3.573 30 20 CHED Cc1cc(S[C@H]2CCCCCC2=O)ccc1C#N 647143852 DQAQRGFOWGAPMI-HNNXBMFYSA-N 259.374 3.861 30 20 CHED CCCN(CC[C@@H]1CCCCN1C)Cc1ccc(C#N)cc1 472763531 ATIXTTOYCYCGHC-IBGZPJMESA-N 299.462 3.645 30 20 CHED CC(C)(NC(=O)CCCCCC#N)c1ccc(F)cc1 808370494 YZPHJOHQYSMTIX-UHFFFAOYSA-N 276.355 3.651 30 20 CHED C#CCC1(c2nc([C@H](C)C3CC3)no2)CCCCC1 809442337 QMTZJANPXVFXGK-GFCCVEGCSA-N 258.365 3.808 30 20 CHED N#CCCCCCC(=O)OCc1ccc(F)c(Cl)c1 805696386 FVPDOPYDYHRFAG-UHFFFAOYSA-N 283.730 3.996 30 20 CHED C=CCOCCCc1nc(-c2ccc(Cl)cc2F)no1 293400520 RZNDUADYYHLJKC-UHFFFAOYSA-N 296.729 3.664 30 20 CHED CC#CC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 801136632 PPEAALJZVXIZEJ-UHFFFAOYSA-N 299.757 3.881 30 20 CHED CC#CCN(C)C(=O)c1sc2cccc(C)c2c1Cl 647541898 NJJPDLGYXSLNLZ-UHFFFAOYSA-N 291.803 3.958 30 20 CHED C#CCCCCCC(=O)Nc1cccnc1C(F)(F)F 809330227 VCHYMEVCZVATLQ-UHFFFAOYSA-N 284.281 3.623 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C)(C)[C@H]1C#N 477098093 LLHPEWIZXDSLIB-QLFBSQMISA-N 276.424 3.744 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cnc2ccccc2c1 297568232 DBXAJDVWRYKUNS-UHFFFAOYSA-N 295.386 3.637 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCOC[C@H]1C 804617890 MKTLHERWTYROPG-HUUCEWRRSA-N 269.429 3.526 30 20 CHED CCOc1ccc(NN=Cc2ccc(OC)cc2)cc1 814985012 ZFZGYBMOMHFVLB-UHFFFAOYSA-N 270.332 3.540 30 20 CHED C=CCCCCCCCNC(=O)Cc1ccc(Cl)cn1 811590777 KFALXBTZTBFTDL-UHFFFAOYSA-N 294.826 3.920 30 20 CHED C=C(C)C(C)(C)C(=O)N(OC)[C@H](C)c1csc(C)n1 819555241 AGTSARYGMIERMP-SNVBAGLBSA-N 282.409 3.505 30 20 CHED C=CCOCCOC(=O)c1cc2c(ccc3ccccc32)[nH]1 813895701 YSAUTUIRRCOOOT-UHFFFAOYSA-N 295.338 3.681 30 20 CHED CC#CCCN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 482167542 WUBDPJGRXMKALP-HZPDHXFCSA-N 261.796 3.979 30 20 CHED COc1ccc(F)cc1/C=C1\Cc2ccccc2C1=O 812240932 XCPOSYCTLIMKOV-UKTHLTGXSA-N 268.287 3.657 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2occ(C)c2c1 816181884 QJOIQSFAERMTMO-UHFFFAOYSA-N 265.259 3.891 30 20 CHED CCC(=NNc1ncccc1Cl)c1cccc(N)c1 814810475 OCFHNFWOAFNBMQ-UHFFFAOYSA-N 274.755 3.543 30 20 CHED Cc1nnsc1C=NNc1ccc(C(C)(C)C)cc1 814226935 NIFXLFCNVRIAOF-UHFFFAOYSA-N 274.393 3.590 30 20 CHED C=C[C@H](CC(=O)N1CCCC[C@@H]1C=C)c1ccccc1 488823420 YGYAKCCIALJFSN-WBVHZDCISA-N 269.388 3.913 30 20 CHED CCC(=NOCCOC)C12CC3CC(CC(C3)C1)C2 811643387 CFEPQMSTJPXDFV-UHFFFAOYSA-N 265.397 3.632 30 20 CHED C=CCCCCCCNC(=O)c1c[nH]c(C(F)(F)F)c1 814130639 WRPCRNOCXVMXGN-UHFFFAOYSA-N 288.313 3.900 30 20 CHED C=C(C)CN(CC)[C@H](C)c1cc([N+](=O)[O-])ccc1C 485788143 FGSIXOOFOPESPC-CYBMUJFWSA-N 262.353 3.862 30 20 CHED OC[C@@H](NN=C1CC[C@H](c2ccccc2)C1)c1ccccc1 814919054 FZODHRBTJXMWFX-PKOBYXMFSA-N 294.398 3.633 30 20 CHED Cc1c(C)c(C)c(CNCc2cc(C#N)n(C)c2)c(C)c1C 480303626 CXKDYULJYJEOGP-UHFFFAOYSA-N 295.430 3.729 30 20 CHED C=CCCCS(=O)(=O)Nc1cccc(Cl)c1Cl 573542012 XBKPHCAWZQLPDD-UHFFFAOYSA-N 294.203 3.701 30 20 CHED C=CCCCCNC(=O)N[C@H](C1CCCC1)C(F)(F)F 481348130 PZPGNBXYVWRGHU-GFCCVEGCSA-N 292.345 3.763 30 20 CHED CCN(Cc1cc(C)cc(C(C)(C)C)c1O)C[C@H](C)C#N 726964015 RBKYNRLFILDYTQ-CQSZACIVSA-N 288.435 3.980 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(C)nc1C 814815418 XDEAREOBRFENTI-ZDUSSCGKSA-N 267.376 3.773 30 20 CHED CC[C@H](O)CNN=C(CCc1ccc(Cl)cc1)C(C)C 811654309 OSXFDUIFNUNQCW-HNNXBMFYSA-N 296.842 3.645 30 20 CHED C#Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)cn1 728817194 HDNNELSMKLCWPD-RHSMWYFYSA-N 298.430 3.645 30 20 CHED C=C(C)CNC(=O)N1CC[C@@](C)(CCc2ccccc2)C1 488649522 SWMXQMVWLZEDHA-GOSISDBHSA-N 286.419 3.617 30 20 CHED Cc1ccccc1COC(=O)CSc1ccc(C#N)cc1 728676446 RYROBMZMZVLTMQ-UHFFFAOYSA-N 297.379 3.702 30 20 CHED C=C(C)CCc1noc(-c2ccnc(C3CC3)c2)n1 574777380 APHSORWDJSVUJS-UHFFFAOYSA-N 255.321 3.518 30 20 CHED C=CC[C@@H](NCc1ccc(C)cc1OC)c1ccncc1 823887456 HYFHBXZBVQEACO-QGZVFWFLSA-N 282.387 3.806 30 20 CHED C=CCN(Cc1cnc2c(cnn2C(C)C)c1)C(C)(C)C 661756394 NFLLUQZXYLFQIF-UHFFFAOYSA-N 286.423 3.799 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)c1ccc(F)cc1 490003025 HYSOZXHSSRRRSY-UHFFFAOYSA-N 277.383 3.822 30 20 CHED CC(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)=C1CCC1 827442132 JDMZYJGUAGIPSV-UHFFFAOYSA-N 284.359 3.784 30 20 CHED CCn1nc(C)c(C=NNc2ccc(F)cc2Cl)c1C 901321127 ULCWZASGFOGXFQ-UHFFFAOYSA-N 294.761 3.758 30 20 CHED C[C@@H](OC(=O)CCC(C)(C)C)c1cccc(C#N)c1 739171129 XQINHWQJWGDBLU-GFCCVEGCSA-N 259.349 3.989 30 20 CHED C=C1CCC(c2nc(-c3ccc(C(=O)OC)cc3)no2)CC1 904557983 XSZQDQQTSHSYAG-UHFFFAOYSA-N 298.342 3.737 30 20 CHED Cn1nccc1CCSCCCCC1(C#N)CCC1 901806969 DSNAPLFVNKMALF-UHFFFAOYSA-N 277.437 3.560 30 20 CHED C=CCCC(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 588030194 CYPUHZBONFIKER-OAHLLOKOSA-N 286.419 3.966 30 20 CHED CCCCOc1ccc(/C=C\C(=O)c2cnn(C)c2C)cc1 588397181 FIRKWJSAMGCGTC-FLIBITNWSA-N 298.386 3.804 30 20 CHED C=CCCn1nc(C(=O)OC)cc1-c1ccccc1Cl 581145065 ZEMOYWNFRFEBBA-UHFFFAOYSA-N 290.750 3.566 30 20 CHED C=CCCCCCn1nc(C)c([C@@H]2CCCC(=O)N2)c1C 664095391 JNVPOZVQIXYMCY-HNNXBMFYSA-N 289.423 3.588 30 20 CHED CC(C)c1ccc(NN=C2C[C@@H](C)n3ccnc32)cc1 835018285 KXMRTOGPKQTONN-GFCCVEGCSA-N 268.364 3.787 30 20 CHED CCOc1cccc(/C=N\CC2(c3ccccc3)CC2)c1O 839386754 VTZPGTGWAVEGEC-MOSHPQCFSA-N 295.382 3.942 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ncoc1CC 739523409 BIEVGDLJMOPFDX-CYBMUJFWSA-N 280.412 3.963 30 20 CHED Cc1ccccc1[C@H]1CCN(C(=O)CCCCCC#N)C1 588155516 CTQJNBWSNCWIAZ-INIZCTEOSA-N 284.403 3.785 30 20 CHED N#CC1(CCCCOC(=O)/C=C\c2ccco2)CCC1 908703092 XINAFRGKKVNJTK-SREVYHEPSA-N 273.332 3.700 30 20 CHED O=C(C#CC1CC1)NC1(c2ccc(Cl)c(Cl)c2)CC1 837371987 IJYVGQOYDDWMOI-UHFFFAOYSA-N 294.181 3.512 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(C(F)F)cc2)C1 839051722 OPTAJINKWZZCSK-GWCFXTLKSA-N 279.286 3.863 30 20 CHED CC(C)c1scnc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839063364 QPZJJKNULAVURH-WDEREUQCSA-N 278.377 3.506 30 20 CHED C#CCCCCCCN[C@H](C(=O)O)c1cc(C)cc(C)c1 901534167 IDXLKBLMWATFKT-KRWDZBQOSA-N 287.403 3.602 30 20 CHED N#CCOc1ccc(CSc2cccs2)cc1 735232857 DIMWAKOWVMXJOX-UHFFFAOYSA-N 261.371 3.943 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@@H](C)CC[C@H]2C)n1 834963260 SLOHISLHOYJIQD-DTWKUNHWSA-N 266.776 3.662 30 20 CHED C#Cc1cccc(CN[C@H](C)c2sc(CC)nc2C)c1 834902124 FIWHJBFQUXXHBK-GFCCVEGCSA-N 284.428 3.846 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)Cc2cc(Cl)ccc21 588524147 ZBQVUQVTFZBIOU-VZUCSPMQSA-N 273.694 3.697 30 20 CHED C[C@@H]1CCN(C(=O)C#CC(C)(C)C)[C@@H](c2ccco2)C1 837449823 VFOPFLLICIPMLV-ZIAGYGMSSA-N 273.376 3.629 30 20 CHED C=CCNC(=S)Nc1ccccc1S[C@@H](C)CC#N 731321671 QENZQHMZTPPUSH-NSHDSACASA-N 291.445 3.553 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1ccccc1C 915978572 GVECJLJMWGURLI-UHFFFAOYSA-N 274.314 3.787 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@@H](CC(C)(C)C)C2)c1 836252947 CSEZYVKOFYKKPB-HNNXBMFYSA-N 284.403 3.958 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835213524 WRZUIKQMXCOXRB-SKDRFNHKSA-N 285.265 3.811 30 20 CHED CCCCCCCC(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 833106358 LSJGLUHWFQRGBN-YHUYYLMFSA-N 261.409 3.627 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@H](C)n1cccn1 917872125 GEZDZNKZCKBFDD-HUUCEWRRSA-N 279.428 3.557 30 20 CHED C=CCOc1ccc(CN[C@H](C)CC2CCOCC2)cc1 673811944 RAHSCPUFGJQCHN-OAHLLOKOSA-N 289.419 3.546 30 20 CHED C#CCCCCC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 833598777 MLJVYTVYBOFNPD-ZWKOTPCHSA-N 283.415 3.880 30 20 CHED N#CC1(CC(=O)Nc2cccc(Cl)c2O)CCCCC1 597440479 APUHJEABGUZBLL-UHFFFAOYSA-N 292.766 3.848 30 20 CHED CCCCCCCCCNC(=O)NC[C@@H]1CCC[C@@H](O)C1 745343183 RRPOWLFPSWDAEI-HZPDHXFCSA-N 298.471 3.587 30 20 CHED COc1ccnc(NN=C(C)c2ccc(C(C)(C)C)cc2)n1 914695636 ALWFHZNCYYHRFS-UHFFFAOYSA-N 298.390 3.619 30 20 CHED Cc1ccc(C=NNc2ccc(Cl)nc2)cc1C 743449702 FHZDXIHNIWLEAL-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CCCCCCCCCNC(=O)c1cnn(C)c1C1CC1 747150719 TYCNCKDUVGFLAI-UHFFFAOYSA-N 291.439 3.778 30 20 CHED CC[C@@H](NCc1cc(OC)ccc1F)c1ccc(C#N)cc1 598680525 ZUYWHONIFRWHHS-GOSISDBHSA-N 298.361 3.947 30 20 CHED C#CCN(C(=O)C[C@H]1CCC[C@H](C)C1)C1CCCCC1 749797268 UNCAKJWBHZGTBV-HOTGVXAUSA-N 275.436 3.997 30 20 CHED COc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1F 591839064 PJRZWHNISMAEHB-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1CCCCC1 593983622 FQXNGESFSWTKIP-GJZGRUSLSA-N 298.430 3.822 30 20 CHED C[C@@H](OC(=O)[C@H]1CC12CCCC2)c1ccc(C#N)cc1 748676629 ALHAPZYCNTZBIY-IUODEOHRSA-N 269.344 3.743 30 20 CHED Fc1ccc2c(c1)C(=NNc1cnnc3ccccc13)CC2 748787586 AUQYZBGSPTTWFK-UHFFFAOYSA-N 292.317 3.531 30 20 CHED CCC#C[C@@H](C)N[C@H](C)c1ccccc1OC(F)F 678738179 ZIDPXMOUABGPLM-VXGBXAGGSA-N 267.319 3.741 30 20 CHED Cc1ccc(C)c(C=NNc2oc(CC(C)C)nc2C#N)c1 745613823 QCQDEIKETOWBSO-UHFFFAOYSA-N 296.374 3.808 30 20 CHED CCN(C(=O)C1CCC2(CC1)CC2)c1ccc(C#N)cc1 598816068 RDWWIMLXGYUZPI-UHFFFAOYSA-N 282.387 3.882 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)CCCCCC#N 590894130 RMWFDZZFWYNRJV-ZFWWWQNUSA-N 250.386 3.545 30 20 CHED Cc1ccc(OCC/N=C/c2ccccc2O)c(C)c1 743340405 DQGIFKGAEFCFEH-LDADJPATSA-N 269.344 3.507 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1cccs1 915977278 WWTBEKPWRLMTNC-UHFFFAOYSA-N 266.316 3.540 30 20 CHED CCC[C@H](C(=O)N(C)C[C@H](C)C#N)c1ccc(Cl)cc1 596892893 ABIJNANJBOSTHI-DOMZBBRYSA-N 292.810 3.842 30 20 CHED C#CCCCN[C@H]1CCCc2ccc(SC)cc21 842845164 BHAZGPSWEMQMQB-INIZCTEOSA-N 259.418 3.789 30 20 CHED C=CCCCC(=O)OCc1ccc(SC)cc1 748235088 WNOKEPITWCIBAC-UHFFFAOYSA-N 250.363 3.808 30 20 CHED CCCCCCCC(=O)Nc1cc(C(=O)OCC)n(C)c1 743758393 OHZIYRCGXSZNMS-UHFFFAOYSA-N 294.395 3.501 30 20 CHED C=CCN(CC=C)C(=O)/C=C(/C)c1cccc(Cl)c1 749863530 VIRPMQSHNYJJHI-QBFSEMIESA-N 275.779 3.944 30 20 CHED CN(Cc1cccs1)C(=O)CC1(C#N)CCCCC1 596649054 ANHWBHRMJCXFQP-UHFFFAOYSA-N 276.405 3.571 30 20 CHED Oc1ccccc1/C=N\C[C@H]1CCCCC1(F)F 840706803 KJXLHXYRFMQLMT-AXIYWZQUSA-N 253.292 3.637 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](C)c1oc2ccccc2c1C 845623768 QHHAPXKPQJNAEL-JQWIXIFHSA-N 288.347 3.608 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842530860 BOMDGGYFKYEBGI-VGWMRTNUSA-N 276.424 3.512 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](C#N)CCc2ccccc2)C1 598299176 FTHWIUCJFSKZJK-JFIYKMOQSA-N 298.430 3.796 30 20 CHED Cc1ccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(C#N)cc2)o1 748680528 FFCRVVVLWIGXMK-OLZOCXBDSA-N 283.327 3.868 30 20 CHED C[C@@H](C(=O)OCCC1(C#N)CCCCC1)C(C)(F)F 840578157 SAGNQRHFSAVTFX-NSHDSACASA-N 273.323 3.685 30 20 CHED Cc1cc(C)nc(NN=C(CC(C)C)c2ccccc2)n1 916241660 CZZRCMVOROTQBF-UHFFFAOYSA-N 282.391 3.956 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 916244991 LGJWRNPINXKCBP-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C[C@H](CC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 749035016 NBHAGAVBTIALKE-CZUORRHYSA-N 270.376 3.584 30 20 CHED CCSCc1ccc(NC[C@H](O)CC(C)(C)C#N)cc1 598730697 YXHBZRNXOJVDKK-OAHLLOKOSA-N 292.448 3.652 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CC1CC1)C1CCC1 594014127 MIEPBELXQWUFPV-CQSZACIVSA-N 296.414 3.528 30 20 CHED C=CCCC[C@@H](NC(=O)OC(C)(C)C)c1nc(CC)no1 923775827 BMFNPZVYIRLIRM-LLVKDONJSA-N 295.383 3.554 30 20 CHED CCCCCCCCNC(=N)NC[C@H]1Cc2ccccc21 849071520 CURSHNQPUIDNKV-MRXNPFEDSA-N 287.451 3.801 30 20 CHED CC1(C)CCc2cc(C=NNc3ccccn3)ccc2O1 920364320 CJPBVYPZTMSDJL-UHFFFAOYSA-N 281.359 3.631 30 20 CHED C#CCCCCCC(=O)N1CCSC12CCCCC2 848051320 DXAQRUJAUSHXKX-UHFFFAOYSA-N 279.449 3.806 30 20 CHED C/C(=C/C(=O)NCC1(C#N)CCC1)c1ccccc1Cl 841468082 AFTJPLVGUKPQLK-XFXZXTDPSA-N 288.778 3.553 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(C)c2ccc(C#N)nc2)cc1 844826450 RJKYPGRRSBNUTQ-CYBMUJFWSA-N 293.370 3.743 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Oc1cccc(OCC#N)c1 841344889 BFVHXCBKSQLLJE-ZDUSSCGKSA-N 287.359 3.711 30 20 CHED C=CCC[C@H](C)NC[C@@H](O)c1cccc2ccccc12 850517425 TYGSXPLLEQTFPP-KBXCAEBGSA-N 269.388 3.818 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc(-c2ccccc2)[nH]n1 851212889 MDDZQTCQVJCZRX-GFCCVEGCSA-N 297.358 3.562 30 20 CHED C#Cc1cccc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)c1 755212618 QXEAMOWBDWTNRO-UHFFFAOYSA-N 294.358 3.693 30 20 CHED CC(C)CC1(NCc2cc(Cl)ccc2OCC#N)CC1 852683532 ZLYZVERVSFAJDF-UHFFFAOYSA-N 292.810 3.911 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1cn(C)cn1)c1ccc(F)c(F)c1 926205570 GBKQTJRYTNSNSP-MEDUHNTESA-N 291.345 3.666 30 20 CHED C=C[C@@H](CC(=O)OCc1ncc(CC)o1)c1ccccc1 758917136 YSQDGBGBIVAESW-ZDUSSCGKSA-N 285.343 3.640 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCOc2ccccc21 924880872 DILPRAVMGBLNNM-DZGCQCFKSA-N 272.392 3.818 30 20 CHED CC[C@@H](OC(=O)CC1(C#N)CCCCC1)C(F)(F)F 851061392 JQNJLFQIAWRTBI-SNVBAGLBSA-N 277.286 3.735 30 20 CHED CCCCC[C@@H](/N=C/c1cc(Cl)ccc1O)C(=O)OC 751889474 BUGOWFYVRDDYCH-VGSSETLESA-N 297.782 3.586 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=C1CCCC1 752048037 OJWAJCWVCGHNQB-MSOLQXFVSA-N 294.398 3.785 30 20 CHED CCC(CC)NN=C(C)c1ccc(C(F)F)nc1 853308542 NEZUUEHFDZFBKK-UHFFFAOYSA-N 255.312 3.521 30 20 CHED COCCC(=NNc1cc(F)ccc1C)C(C)C 853393304 BGZSJIGWRRFVCO-UHFFFAOYSA-N 252.333 3.595 30 20 CHED CCCC1(C(=O)[C@@H](C#N)c2nc(C)cs2)CCC1 759531895 OZBLVERYKCKWAX-LLVKDONJSA-N 262.378 3.598 30 20 CHED COc1ccc(Cl)cc1C(C)=NO[C@@H]1CCCCO1 755818848 USDCMFBEWBTVTA-CQSZACIVSA-N 283.755 3.616 30 20 CHED N#CCC1(CON=Cc2ccccc2C(F)(F)F)CC1 853640384 DIUYBCONQRUQAJ-UHFFFAOYSA-N 282.265 3.750 30 20 CHED CC(C)c1ccc(/C=C2/CCn3nccc3C2=O)cc1 853009770 PHEHQGFLUUJDHX-PTNGSMBKSA-N 266.344 3.677 30 20 CHED CC1(C)CCC(=NN=c2cc[nH]cc2Cl)CC1 756841981 GKSGXULRFXYFLU-UHFFFAOYSA-N 251.761 3.525 30 20 CHED CCc1nc2ccccc2n1N=Cc1c(F)cccc1F 767357896 ATXVERAGNBXRIY-UHFFFAOYSA-N 285.297 3.759 30 20 CHED CCO[C@H]1CC(=NOCC(F)(F)F)C12CCCCC2 764839064 HFVWYUDNAIZSBO-NSHDSACASA-N 279.302 3.681 30 20 CHED Cc1cccc(F)c1NN=C1[C@@H]2CCCO[C@@H]2C1(C)C 769842137 YUFAVGSUMYQZLN-NHYWBVRUSA-N 276.355 3.737 30 20 CHED C#CCCN(C[C@@H]1C[C@H]1c1ccccc1)CC(F)(F)F 768534048 YYWNFFHAVQEQDK-GJZGRUSLSA-N 281.321 3.678 30 20 CHED C#CCSCCNCc1ccc(F)c(Cl)c1Cl 762448022 GZHAUTNVDOIKGG-UHFFFAOYSA-N 292.206 3.589 30 20 CHED Cc1ccc(C(=O)OCCCCC(C)(C)C#N)s1 768375675 XQRLBGHGNUMBGN-UHFFFAOYSA-N 265.378 3.933 30 20 CHED CCCC(CCC)=NNCC(F)(F)C(F)(F)F 863180573 CXYKDNGOBIOCEG-UHFFFAOYSA-N 260.250 3.730 30 20 CHED CCC[C@H](C=NNc1nc2ccccc2[nH]c1=S)OC 863125156 OGGPTYXSPJSTCT-SNVBAGLBSA-N 290.392 3.505 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc([C@H](O)C(F)(F)F)cc2)C1 866417370 OSYRJTVJGOUWSE-SWHYSGLUSA-N 298.308 3.777 30 20 CHED CC(=O)Nc1cccc(/C=C2\CCCC(C)(C)C2=O)c1 865220135 DOAVBHAJFOOIFC-GXDHUFHOSA-N 271.360 3.808 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(C(C)=O)cc2)C1 1350388144 VRGTWLRZDJPIBD-OAHLLOKOSA-N 257.377 3.677 30 20 CHED C#CCC(C)(C)C(=O)N1CC2(CCCC2)c2ccccc21 767091592 PIQXMELWFPVPFC-UHFFFAOYSA-N 281.399 3.895 30 20 CHED C#CCOc1ccccc1CN(Cc1ccco1)C(C)C 768249395 FLSSQLYFELEWSH-UHFFFAOYSA-N 283.371 3.702 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccc(F)c([N+](=O)[O-])c1 769822827 SGURQANINJTBPG-MNOVXSKESA-N 279.315 3.958 30 20 CHED C#CCCCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 766907254 XGOCQMFAMLYPLF-GOSISDBHSA-N 299.439 3.697 30 20 CHED CCC(=NNc1c(F)cccc1Cl)[C@H]1CCOC1 769829433 QNPSLWLBHPIHBQ-VIFPVBQESA-N 270.735 3.694 30 20 CHED CC(C)n1cc2c(n1)[C@H](/N=C/c1ccccc1O)CCC2 764888662 SEEPOOAUSVQHIZ-BFERYNQYSA-N 283.375 3.666 30 20 CHED N#CC1(COC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1 768109794 LLNKOQORIQQZTB-QLFBSQMISA-N 275.392 3.830 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1cscn1 767907829 GYFLQNWETBQPSS-UHFFFAOYSA-N 269.732 3.772 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 879375226 KGUBUEDFZGXBCK-LRDDRELGSA-N 293.382 3.620 30 20 CHED C(=NNc1nncc2ccccc12)c1ccc2c(c1)CCC2 1116156444 SHLWHVOCLGFEMY-UHFFFAOYSA-N 288.354 3.565 30 20 CHED C=CC[C@H](C(=O)OCc1cccc(C)n1)c1ccccc1 777742877 UPHJYBIISVMHAN-KRWDZBQOSA-N 281.355 3.793 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(O)c(C)c1 777906023 PGNFYLJVZLPUOO-UHFFFAOYSA-N 275.739 3.585 30 20 CHED C=CCCCOc1cc(Cl)cnc1Br 774673173 MIBFDNZJVZBTBV-UHFFFAOYSA-N 276.561 3.843 30 20 CHED CC(C)CC[C@H]1CCCC1=NOC1CCOCC1 774439538 ACRASSAYZOMGCH-CYBMUJFWSA-N 253.386 3.774 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 878861224 SCBZICHLAMSCII-GOEBONIOSA-N 271.404 3.993 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)C(F)=C1CCCC1 771380710 FFNVUHRBFDMVPQ-UHFFFAOYSA-N 276.282 3.518 30 20 CHED Cc1cscc1C/N=C\c1cc2ccccc2nc1O 775233370 BUQJVSWLVRQNET-IDUWFGFVSA-N 282.368 3.929 30 20 CHED C#CCCCCCC(=O)Oc1ccc(C(C)=O)cc1F 779914328 FMBGJMVSEXWABN-UHFFFAOYSA-N 276.307 3.517 30 20 CHED CCc1ccc(/C=C2/CC(=O)Nc3ccccc3C2=O)cc1 774144222 HULVXUTYNBZWBZ-PTNGSMBKSA-N 291.350 3.858 30 20 CHED C#CCCCCCC(=O)N1CCc2ccc(Cl)cc2C1 779945704 HHZGOHZYQXRZJN-UHFFFAOYSA-N 289.806 3.808 30 20 CHED CC(C)(C#N)CCCCN(CC(F)F)C1CCC1 887102087 BKEKLYGDHGIORM-UHFFFAOYSA-N 258.356 3.826 30 20 CHED C[C@H]1CC[C@H](Nc2snc(Cl)c2C#N)CC1 301212020 VCDJGKMLPDUERK-ZKCHVHJHSA-N 255.774 3.659 30 20 CHED CCN(C(=O)Nc1cc(C#N)c(F)cc1F)[C@@H](C)C(C)C 880715138 LABBOTHSZPPHQC-JTQLQIEISA-N 295.333 3.735 30 20 CHED N#CC[C@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1 1124170937 PEFKCSOVGITUEC-HNNXBMFYSA-N 284.746 3.976 30 20 CHED O=C1/C(=C/c2ccc3cnccc3c2)COc2ccccc21 782307104 YDYPKWYXRIMRAE-MHWRWJLKSA-N 287.318 3.894 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)C1CCC(F)(F)CC1 788698859 MUTHZTQDWLKMTI-UHFFFAOYSA-N 296.317 3.998 30 20 CHED C=C1CN(C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)C1 898696254 DHWNWCIWIIOWIU-NSHDSACASA-N 283.293 3.597 30 20 CHED CCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1F 782306880 WKXHXAWJOPSIGK-UKTHLTGXSA-N 298.313 3.883 30 20 CHED CCc1ccccc1CC(=O)O[C@H](C)c1cccc(C#N)c1 785889739 NGJRIFCCCDXWDX-CQSZACIVSA-N 293.366 3.968 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc(Cl)s1 785769486 RDAWMCWRFJKGCN-ZDUSSCGKSA-N 286.780 3.730 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1cc(C)c(C)o1 899371854 SGTKPVZVBVQMTP-VOTSOKGWSA-N 259.305 3.651 30 20 CHED COc1cc(NN=C(C)c2cnccc2C)ccc1Cl 788467165 DPWIAWMFDTXDGW-UHFFFAOYSA-N 289.766 3.888 30 20 CHED N#Cc1cnc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)s1 896489044 LQOCHVMZULGGOG-KGYLQXTDSA-N 289.404 3.560 30 20 CHED O=C(/C=C\c1cc(Cl)cc2c1OCC2)c1ccco1 782889095 BVVIDJCPFCRGKQ-ARJAWSKDSA-N 274.703 3.764 30 20 CHED CC(C)(C)CCNN=C1CCC[C@H]1c1ccccn1 794929067 NYGCLFBYMVLTEF-ZDUSSCGKSA-N 259.397 3.731 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCCc3sccc32)cc1C#N 799366405 ICOBLTRHCRMMNG-OAHLLOKOSA-N 296.395 3.736 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCCOC(C)(C)C 794948999 IMELFADNWNEEAU-UHFFFAOYSA-N 295.448 3.858 30 20 CHED CC[C@H](C)CON=Cc1cccn1Cc1ccccc1C#N 793146228 OOWVPIDJSFSMQW-HNNXBMFYSA-N 295.386 3.805 30 20 CHED N#Cc1ccc(CCN(Cc2ccccc2)C2CC2)cc1 1208927720 OZONKTMHVJJTAG-UHFFFAOYSA-N 276.383 3.765 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2cc(C)cc(C)c2)[C@H]1C 794480558 LMRHNTDCTHOHMG-UONOGXRCSA-N 288.391 3.681 30 20 CHED C=CCCC[C@@H](C)Nc1c(F)c(F)nc(F)c1F 398125945 ILCOBCVBQOZWKA-SSDOTTSWSA-N 262.250 3.795 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1ccc(OCC(C)C)cc1 797961748 OJCRBMIKHJVHIT-UHFFFAOYSA-N 299.326 3.714 30 20 CHED CSCC(C)(C)C(=O)OCc1ccc(C#N)cc1Cl 799993431 IZXKNVGOAVWVFF-UHFFFAOYSA-N 297.807 3.644 30 20 CHED CCC(=NNCC(F)F)c1ccc(OC(F)(F)F)cc1 794911538 IGMMCUZKUCXKIE-UHFFFAOYSA-N 296.239 3.554 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(O)c(C)c2)c1F 799891593 AFTJOKMIGJSPPL-RMKNXTFCSA-N 286.302 3.744 30 20 CHED C=CCCCCOC(=O)c1oc(C(C)C)nc1C 797271347 CBEYFCDWHMSWSH-UHFFFAOYSA-N 251.326 3.620 30 20 CHED CC(C)c1occc1C(=O)OCc1cccc(C#N)c1F 796391037 REOOKUXPFPPJIT-UHFFFAOYSA-N 287.290 3.771 30 20 CHED C#CCCCCN[C@@H](Cc1ccccc1C)C1CC1 793548308 KVXBPEXNDRXDAF-SFHVURJKSA-N 255.405 3.709 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@H]2CC23CCC3)s1 797571435 RHJTWWSATJIPLE-QWRGUYRKSA-N 288.416 3.807 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2cccc(Cl)n2)o1 793175385 SVUVHNCLSNLXGK-MWLCHTKSSA-N 275.739 3.897 30 20 CHED CCCCCCCNc1ccc(OCC(=O)NC)cc1C 795049825 IDARAGVQIKDLKU-UHFFFAOYSA-N 292.423 3.502 30 20 CHED C=C(CC)COC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 796490418 IKULZUKERHTIAD-FZMZJTMJSA-N 280.389 3.507 30 20 CHED CCCCCCCN(C)[C@@H](CC(N)=O)c1ccccc1 796533319 RSVYFTTZIMURCO-INIZCTEOSA-N 276.424 3.505 30 20 CHED CCC[C@H](Nc1nccc(C)c1C#N)[C@H](O)c1ccccc1 795210646 XBAWPVHVTOQIQC-DLBZAZTESA-N 295.386 3.576 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CN(C2CC2)C[C@H]1C 793536459 WNCGBNUOTNQHHB-HLLBOEOZSA-N 264.457 3.584 30 20 CHED Cc1nc(Sc2nccn2C2CC2)c(Cl)cc1C#N 689745746 ATSTUVQHGPTFDJ-UHFFFAOYSA-N 290.779 3.598 30 20 CHED CCC1(C(=O)Nc2ccc(CC#N)cc2)CCCC1 94901763 SUQSDUMNFHPHFM-UHFFFAOYSA-N 256.349 3.662 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCC2(C)C)n1 1307116314 GXJMSYUQRBHMED-CYBMUJFWSA-N 257.381 3.851 30 20 CHED N#Cc1ccc(-c2nnc(C(F)(F)c3ccccc3)o2)cc1 1322895326 WGXNRTSMWMWWBC-UHFFFAOYSA-N 297.264 3.748 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC[C@H](SC)C2)CCCC1 1324702505 LGVKIHBTMOPCMQ-OLZOCXBDSA-N 267.438 3.523 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)c(F)c1 1320044886 JKMYDEUOQRFTQB-MNOVXSKESA-N 279.746 3.573 30 20 CHED CC(C)c1nc(C=NNc2nc3ccccc3[nH]2)cs1 1321899323 ULIYCBJKRSTVSX-UHFFFAOYSA-N 285.376 3.589 30 20 CHED C=C[C@H](COC)NC(=O)Nc1ccccc1-c1ccccc1 1320302594 JQFHONTYPAORNL-OAHLLOKOSA-N 296.370 3.676 30 20 CHED C=C(C)CCC(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O 1335846048 QHTUQNBLGSYYID-CVEARBPZSA-N 291.435 3.873 30 20 CHED Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1-c1ccccc1 1857792661 QCHZEUAZLGZEFN-UHFFFAOYSA-N 294.203 3.961 30 20 CHED C=C(C)CCC(=O)NCc1ccccc1C(F)(F)F 1335606102 BHRAJUVULUWDEA-UHFFFAOYSA-N 271.282 3.678 30 20 CHED C=C[C@@H](COC)NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 1255035937 INGILWWQVKGJED-YOEHRIQHSA-N 289.419 3.621 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(OCC(=C)Cl)cc1 1338111492 CKMQXJISBLXDMM-HIFRSBDPSA-N 295.810 3.670 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(SC)ccc1O 1347521754 KWDYFJYQDOLHER-LBPRGKRZSA-N 291.416 3.685 30 20 CHED Cc1scc(COC(=O)c2ccc(F)c(C#N)c2)c1C 1438512121 RMGLWCINLANWSB-UHFFFAOYSA-N 289.331 3.733 30 20 CHED CC1CCC(CNC(=O)c2ccc(Cl)c(C#N)c2)CC1 1518544096 HPARURGOMPHLKD-UHFFFAOYSA-N 290.794 3.768 30 20 CHED C=C(CC)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 1518771876 CFZOJOBDWDUJBS-UHFFFAOYSA-N 273.332 3.633 30 20 CHED C[C@H](CNC(=O)[C@@H](CC#N)c1ccccc1)c1ccccc1 1458777941 NKWJKDOUYMRUGI-QAPCUYQASA-N 292.382 3.604 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2F)CC1 1529714032 MFYABHYNLVRMGY-CQSZACIVSA-N 288.366 3.596 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCC[C@@H](C)CC1 1539772994 PXEZRVSALRTBSN-GFCCVEGCSA-N 296.846 3.780 30 20 CHED Cc1nc(N(C)[C@@H](C)CSc2ccccc2)ccc1C#N 1612577036 XTVIYGCXVREFME-ZDUSSCGKSA-N 297.427 3.879 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 1470353537 OVQNSWXYCDRDHV-INMHGKMJSA-N 291.439 3.538 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(C#N)c1 1622820365 NNGKQFYELPBCCS-HUUCEWRRSA-N 285.391 3.895 30 20 CHED C=CC[C@H](C)NCc1ccc(F)c(Br)c1 116927709 XHEBWSFEHYUEGK-VIFPVBQESA-N 272.161 3.642 30 20 CHED N#Cc1cc(F)cc(NC(=O)NC2(c3ccccc3)CC2)c1 1626925803 UGXRLHGSTUOSNX-UHFFFAOYSA-N 295.317 3.508 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1559087316 IBBWTRNMZYTDGZ-BPKGMFCQSA-N 277.371 3.667 30 20 CHED COCCN(Cc1ccc(C)cc1C)C[C@H](C)CCC#N 1621142053 YUAODQJRBIFHFL-MRXNPFEDSA-N 288.435 3.692 30 20 CHED N#Cc1ccc(CSCc2nc3ccccc3[nH]2)s1 1559422880 VDMOWXIPGCWAJB-UHFFFAOYSA-N 285.397 3.929 30 20 CHED CCCOC1(CNc2cc(C)c(C#N)cn2)CCCCC1 1639578082 UJFAVUJNHGYQAP-UHFFFAOYSA-N 287.407 3.803 30 20 CHED C=C(Br)COc1cc(Cl)ccc1C(C)=O 1644018290 NUASGPJVQMEYQQ-UHFFFAOYSA-N 289.556 3.830 30 20 CHED CCOC(=O)CC[C@H](C)Sc1ccc(C#N)c(C)c1 1641226264 UJDIGZLJRQPSHI-LBPRGKRZSA-N 277.389 3.691 30 20 CHED Cc1nc(NCC[C@@H]2CCCC[C@H]2C)ccc1C#N 1642270564 VCRBIDZJXRHANR-OCCSQVGLSA-N 257.381 3.890 30 20 CHED CCC[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 230649608 QMLOTLAUHLMBHR-HNNXBMFYSA-N 260.356 3.852 30 20 CHED C=CC[C@@H](CC)N[C@@H](CC)c1ccc(C(=O)O)cc1 1588736251 VNCIYLRRKNVFSU-CABCVRRESA-N 261.365 3.780 30 20 CHED C[C@@H]1CC[C@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 1659756194 MFIUCCIKUFZTFQ-DNVCBOLYSA-N 291.398 3.926 30 20 CHED C=CCC(CC=C)C(=O)Oc1cc(OC)ccc1C(C)=O 151429145 UQCAVRAIJSYCFY-UHFFFAOYSA-N 288.343 3.572 30 20 CHED N#Cc1ccc(CNc2cccc(OCCF)c2)cc1 152089449 RCOVFTYXFBFGFL-UHFFFAOYSA-N 270.307 3.519 30 20 CHED CC(C)CCC1CCN(C(=O)c2ccc(C#N)cc2)CC1 152632249 CJZPCBIXBCYUAX-UHFFFAOYSA-N 284.403 3.847 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2cccc(O)c2)c1 8322463 IRMJMHMIHRNPTH-MDZDMXLPSA-N 280.323 3.853 30 20 CHED N#Cc1ccc2[nH]c(-c3coc(-c4ccccc4)n3)nc2c1 154237831 WNOAWHFMPQDFOP-UHFFFAOYSA-N 286.294 3.757 30 20 CHED C=CCCCCCN(C)C(=O)c1cnn(C(C)(C)C)c1C 156808824 YSRGZCDNIXLODB-UHFFFAOYSA-N 291.439 3.765 30 20 CHED O=C1/C(=C/C=C\c2ccccc2)COc2ccccc21 209496542 UQBUVQXVBZGKTI-SYFSHSHVSA-N 262.308 3.902 30 20 CHED C=C[C@H](C)OC(=O)c1sc(C)cc1Br 838865620 QOWDBBHOYDRMTP-LURJTMIESA-N 275.167 3.550 30 20 CHED CCN(Cc1cccc(C(F)(F)F)c1)C[C@H](C)C#N 42287591 ZGHYZRUWDNLCRZ-LLVKDONJSA-N 270.298 3.687 30 20 CHED C=CCCNCc1csc(-c2ccsc2)n1 657582732 CDUOKFHPFZEMEQ-UHFFFAOYSA-N 250.392 3.537 30 20 CHED C#CCCCCC(=O)Nc1ccc2oc(CC)nc2c1 179782893 IIZFDYXFYJLJJE-UHFFFAOYSA-N 270.332 3.522 30 20 CHED CCCCCCCC(=O)Nc1ccc(OC)c(N)c1 59366270 FRLFZLYEKQHZEJ-UHFFFAOYSA-N 264.369 3.576 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCN2Cc2ccccc2)cc1 301309684 XXFGXNXMBVENOR-IBGZPJMESA-N 291.398 3.635 30 20 CHED N#CCc1cccc(NC(=O)CC(C2CC2)C2CC2)c1 400821764 GHKKHFPLNRHIHA-UHFFFAOYSA-N 268.360 3.517 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CCCCC2(F)F)c1 308214030 YHCFZIKEZNXDDX-CYBMUJFWSA-N 278.302 3.631 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1ncc(C#N)cc1Cl 513651287 YINURORKYNXZHP-GBIKHYSHSA-N 263.772 3.843 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1cccc(CC#N)c1 313447944 OKZRRHFANWUOGV-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)cc2)n1 331670008 NSRGFQKRGAMPAY-FZMZJTMJSA-N 267.332 3.902 30 20 CHED N#Cc1ccc(Cl)cc1Oc1nccc(C#N)c1Cl 334245659 GCFBAUPXEIRAJA-UHFFFAOYSA-N 290.109 3.924 30 20 CHED N#Cc1cc(NCc2nc(C3CC3)cs2)ccc1F 342420489 BHOUKJIXSYEGIU-UHFFFAOYSA-N 273.336 3.643 30 20 CHED CCCCCCCCCN1CC(F)(F)C[C@@H]1C(=O)O 713587661 RSSSODCXERKIJY-GFCCVEGCSA-N 277.355 3.531 30 20 CHED C=CCCCCNCc1nn(CC)c2ccccc12 388958108 RZBXVRPLQJJGHM-UHFFFAOYSA-N 257.381 3.502 30 20 CHED C=CCC(C)(C)CN[C@H](CC)c1ccc(F)cn1 386776656 JEZDPKZTZVQMQJ-CYBMUJFWSA-N 250.361 3.864 30 20 CHED N#Cc1cc2c(nc1N[C@H]1CC13CCCCC3)CCC2 386990344 FKNWIMSPLGNTOT-HNNXBMFYSA-N 267.376 3.577 30 20 CHED N#CCCC1CCN(CCSc2ccccc2)CC1 399357691 DYJXITNVFCGMKF-UHFFFAOYSA-N 274.433 3.794 30 20 CHED N#Cc1ccc(COc2ccccc2OC(F)F)c(F)c1 106068101 YAMXMPDZLKSAPL-UHFFFAOYSA-N 293.244 3.878 30 20 CHED Cc1cccc(C)c1NC(=O)NCc1cc(C#N)ccc1F 174490348 ODULMEYJRDWRJK-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C#CCCCNC(=O)N[C@@H](C)c1oc2ccccc2c1C 174078663 MAXYVIRLIXXWHE-ZDUSSCGKSA-N 284.359 3.515 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(OCC)c2)c1 103027136 RYDZKRJLBOFCNS-UHFFFAOYSA-N 293.366 3.733 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C/c1cccc(OC)c1O 175900568 GTCLGIUPVMFLRI-YZTBUCIPSA-N 293.432 3.884 30 20 CHED CCc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 106421230 MGOSHWFYYJHNAG-INIZCTEOSA-N 298.773 3.897 30 20 CHED N#Cc1csc(/C=C/C(=O)c2cccc(F)c2)c1 176836496 JRUIUNACKXGCFZ-SNAWJCMRSA-N 257.289 3.655 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(NC2CCCC2)c1 117977879 WASPPTUREJDYSA-UHFFFAOYSA-N 271.364 3.529 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1nc(C(C)(C)C)cs1 301196295 ODUWGDYFMWCUNZ-JTQLQIEISA-N 286.404 3.880 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)CCc2ccc(C#N)cc2)C1 171516467 FWEVORZIVFBFAL-QZTJIDSGSA-N 298.430 3.822 30 20 CHED CN(Cc1ccc(F)cc1F)c1ccc(C#N)cc1F 63508516 NTIPCBYXNASVAB-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C[C@@H](c1ccco1)N(C)CCCOc1ccc(C#N)cc1 69066540 GTIKFDRQQGYSFP-AWEZNQCLSA-N 284.359 3.613 30 20 CHED Cc1cc(C)c(CNCc2ccc(OCC#N)cc2)c(C)c1 171769715 SVXRHGPRMSJJMX-UHFFFAOYSA-N 294.398 3.804 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(Cl)cc1Cl 233358166 PGKZTFBYGPKNTD-SNVBAGLBSA-N 270.159 3.525 30 20 CHED CO[C@@]1(C)C[C@@H](/N=C/c2cc3ccccc3nc2O)C1(C)C 174033526 VXUFURPPGKUVHR-INPMHVJESA-N 298.386 3.563 30 20 CHED C[C@@H]1CC[C@H](NCCSCc2ccccc2C#N)C1 174248022 MYFPSPHISOGZQM-CJNGLKHVSA-N 274.433 3.570 30 20 CHED CCn1nccc1/C=C1/C(=O)c2ccsc2S[C@H]1C 178879522 QDNRYNBBWMIMAN-KWINOFQJSA-N 290.413 3.725 30 20 CHED N#CCCCCNC(=O)Nc1ccccc1SC(F)F 171362835 LHNGJRYKBLAQAQ-UHFFFAOYSA-N 299.346 3.817 30 20 CHED CCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 173534536 WLTJAVRATUODOD-UHFFFAOYSA-N 284.290 3.838 30 20 CHED C[C@H](OC(=O)c1ccc(Cl)o1)c1ccc(C#N)cc1 175761931 NYILUQSHQZHYBJ-VIFPVBQESA-N 275.691 3.723 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1nccc(C#N)c1[N+](=O)[O-] 302225488 OSJOWKUFPDVGFK-GFCCVEGCSA-N 296.330 3.651 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 121709756 JAGBEFFUKONZMI-HRCADAONSA-N 271.404 3.851 30 20 CHED COc1ccc(CC[C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 185803463 IBKJHQTWQPHECL-BHYGNILZSA-N 286.419 3.688 30 20 CHED N#Cc1cccc(C(=O)N2CCCc3cc(Cl)ccc32)c1 31925802 HWYWIBQKYBBJRM-UHFFFAOYSA-N 296.757 3.805 30 20 CHED C=CCCC(=O)Nc1cc(F)cc(F)c1Br 189060970 XDXNWUVCRADEPL-UHFFFAOYSA-N 290.107 3.632 30 20 CHED COc1cccc(CSCc2cc(C#N)ccc2F)n1 180486738 LENRGLZYUJBAFL-UHFFFAOYSA-N 288.347 3.534 30 20 CHED CC(C)c1ccc([C@H](C)OC(=O)CSCC#N)cc1 183243543 FWJDWRVLGRGFRJ-LBPRGKRZSA-N 277.389 3.671 30 20 CHED N#CCCCOc1ccc([N+](=O)[O-])cc1Cc1ccccc1 125555724 BOTHSFWLQRJKQD-UHFFFAOYSA-N 296.326 3.868 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2ccc(C#N)s2)cc1 125827192 AIESLSFTMMRYQX-GFCCVEGCSA-N 286.400 3.821 30 20 CHED C[C@H]1CC(C(=O)N(C)c2ccc(C#N)cc2)C[C@H](C)C1 503421293 VYUGJWDKTBFNAF-CHWSQXEVSA-N 270.376 3.593 30 20 CHED C=C(C)CCSc1n[nH]c(Cc2cccs2)n1 505698688 AKOPPMPQDZNTFI-UHFFFAOYSA-N 265.407 3.515 30 20 CHED COc1ccc(Cl)c(COc2cccc(C#N)c2)c1 478541179 JGEAGSDSMLDMGL-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 501683174 OWMVBHNOTRVOKF-JQHSSLGASA-N 271.404 3.899 30 20 CHED CCC(C)(C)CC(=O)N[C@](C)(C#N)CCc1ccccc1 73084347 WKRBUKHSGSUTSF-SFHVURJKSA-N 286.419 3.844 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(CSC)c1 504580574 UVJMPMXEGOHTHF-UHFFFAOYSA-N 277.433 3.768 30 20 CHED C=CC1CCN(C(=O)C2(Cc3ccccc3)CCC2)CC1 129964581 MOQIYQDRGZSDIK-UHFFFAOYSA-N 283.415 3.824 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccccc1C(F)(F)F 315760149 YMODFNINIHPMAH-UHFFFAOYSA-N 299.296 3.767 30 20 CHED CC(C)(C)CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 505282527 AUHLPHIGUMWLNO-UHFFFAOYSA-N 290.382 3.527 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2c(OC)cccc21 410977638 POTSZMLTRLTJQC-QGZVFWFLSA-N 273.376 3.577 30 20 CHED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(C#N)cc1F 413160855 VAYHGJZGHDHTAJ-BXUZGUMPSA-N 299.324 3.614 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(Cl)cc1 125624007 JAZVJFNIJBCFAV-GFCCVEGCSA-N 253.773 3.583 30 20 CHED CN(CCCSCC#N)[C@@H]1CCC[C@H]1C(C)(C)C 419339379 ZZFMEZBHCGHZRC-ZIAGYGMSSA-N 268.470 3.780 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H]2CC2(C)C)c1 501754867 JUFSCKZSFVPFGH-CQSZACIVSA-N 259.349 3.626 30 20 CHED C[C@H]1C[C@H](CC(=O)N(CCC#N)CC2CC2)CC(C)(C)C1 505214148 WXJUKEMUSIMJJY-GOEBONIOSA-N 290.451 3.991 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)c1cccc(SCC#N)c1 79396038 CAIZMOTWUACFFQ-BETUJISGSA-N 288.416 3.705 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(Cl)c1 500096919 GDVMFYSSPXAOAV-LLVKDONJSA-N 252.745 3.816 30 20 CHED CC[C@H](CSCc1ccc(C#N)cc1Cl)OC 419646024 YPKNZNNKXUVLEY-GFCCVEGCSA-N 269.797 3.870 30 20 CHED CC(C)(C(=O)Nc1cc(C#N)c2ccccc2n1)C1CCC1 410865965 XIYBGQSRMGTLDO-UHFFFAOYSA-N 293.370 3.871 30 20 CHED Cc1cc(CNCCCCC#N)ccc1Br 173569308 PVXMYHJEQOASFH-UHFFFAOYSA-N 281.197 3.541 30 20 CHED CC(C)[C@H](C)N(C)Cc1cccc(OCCCC#N)c1 507251442 HNLQBYXCFCIUCJ-HNNXBMFYSA-N 274.408 3.845 30 20 CHED CC[C@@]1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412145662 DHWPQLCCIVFISK-SCTDSRPQSA-N 296.414 3.700 30 20 CHED Cc1cc(NCC(C)(C)CC#N)ncc1Br 413410085 PAUAYGJJOSDJTO-UHFFFAOYSA-N 282.185 3.504 30 20 CHED C=CCOc1ccc(OC(=O)c2cccc(CC#N)c2)cc1 81324086 RTZVNLLGYCDAIT-UHFFFAOYSA-N 293.322 3.537 30 20 CHED Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1F 174431703 HZIQKSCSURKDFD-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED N#Cc1ccc(COc2ccc3c(c2)CCC3=O)c(Cl)c1 220980110 IWNWDPOTRAXJFX-UHFFFAOYSA-N 297.741 3.920 30 20 CHED CC(C)(C)Cc1cc(NC(=O)Nc2cccc(C#N)c2)n[nH]1 190919375 GZMIQGPXBLGHTE-UHFFFAOYSA-N 297.362 3.514 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(Br)cc2C#N)CS1 132698094 HTRMDKUBKCSNJX-LDYMZIIASA-N 297.221 3.627 30 20 CHED Cc1ncoc1/C(O)=N/C[C@@H]1C[C@H]1C1CCCCC1 329355667 VXFACVBVHFSMNZ-STQMWFEESA-N 262.353 3.504 30 20 CHED C=CCC1(C(=O)NCCCCCCSC)CCC1 190182019 DGOSYHXURCITAG-UHFFFAOYSA-N 269.454 3.772 30 20 CHED CC[C@H](C(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 41516934 WVQLBCFCEUNREK-KBPBESRZSA-N 284.384 3.822 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(Cl)c(OC)c2)CC1 194419747 INOUPNITMMCGCK-UHFFFAOYSA-N 294.782 3.779 30 20 CHED N#CCCN(CC1CC1)C(=O)c1ccc(C2CCC2)cc1 191250880 QKEUTLDTRMVPPG-UHFFFAOYSA-N 282.387 3.720 30 20 CHED CN(CCC#N)c1ccc(CN(C2CCCC2)C2CC2)cc1 130221762 UZRJYVWAHMMGMR-UHFFFAOYSA-N 297.446 3.943 30 20 CHED CC(C)(C)CN(CCC#N)CCCc1ccccc1 609487595 JUNVUSLPVMBBAX-UHFFFAOYSA-N 258.409 3.881 30 20 CHED C#Cc1cccc(NC(=O)/C=C/SCc2ccco2)c1 84921512 VXIPZBSEGBWWKP-CSKARUKUSA-N 283.352 3.647 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc2ncccc2c1 194293667 JXAKPIDLAGPZDK-CQSZACIVSA-N 297.402 3.779 30 20 CHED CSCCCCC(=O)Nc1ccc(C(C)(C)C#N)cc1 133420058 VYFYABXTWFHJTB-UHFFFAOYSA-N 290.432 3.960 30 20 CHED C=C(C)C(C)(C)c1nc(CCc2ccc3c(c2)CCO3)no1 424361141 UJBHMNGCUWSREK-UHFFFAOYSA-N 298.386 3.643 30 20 CHED C[C@H](C#N)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 428882848 OPDQRDYVKBPVLF-SNVBAGLBSA-N 292.766 3.760 30 20 CHED CC[C@H](CC#N)N[C@H](C)CCc1c(F)cccc1F 338933791 LPEMHARQRSLUGJ-VXGBXAGGSA-N 266.335 3.568 30 20 CHED CC1(C)C(C/N=C(/O)[C@H]2CCC(=O)c3cccn32)C1(C)C 330108074 NBFPNLAPZMDFHS-GFCCVEGCSA-N 288.391 3.644 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2ncsc2c1 424584811 BJONAQGHPZMVMH-UHFFFAOYSA-N 260.362 3.837 30 20 CHED Cc1ccc(CN(C)C)cc1NCc1ccc(C#N)c(F)c1 421334732 JEHSYHDYPPZPNT-UHFFFAOYSA-N 297.377 3.680 30 20 CHED Cn1cc(N[C@H]2CCC[C@@H](C#N)C2)c(C2CCCCC2)n1 333579365 RDXGLAWTHMTWPD-HIFRSBDPSA-N 286.423 3.962 30 20 CHED Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 424318056 CKSVZSHBXAASSM-UKPHBRMFSA-N 294.402 3.524 30 20 CHED C=CCCc1ccccc1NCc1cnc2n[nH]c(C)c2c1 337308842 TUVLVUKBSKVXIM-UHFFFAOYSA-N 292.386 3.997 30 20 CHED CCC[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1F 514932728 KZEBVAUCFMQQEW-MLGOLLRUSA-N 291.345 3.839 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C1CC1)[C@H](C)C(C)C 337882613 VQWJUULHRAKSNO-CYBMUJFWSA-N 270.376 3.516 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cccc(Cl)c1 424523581 JFWHMORIYLCVEQ-UHFFFAOYSA-N 251.757 3.559 30 20 CHED CCc1cnc(CNc2ccc(C(F)(F)F)cc2C#N)o1 234262644 SHPJKKKPQZHRJC-UHFFFAOYSA-N 295.264 3.740 30 20 CHED C[C@H]1CCC[C@@H](CN(CCC#N)Cc2cccnc2)C1 179360289 IGUBHGRGDVNPPZ-JKSUJKDBSA-N 271.408 3.624 30 20 CHED CCCN(Cc1ccccc1O)CC(C)(C)CCC#N 92705084 UTIWKPOQKISIKI-UHFFFAOYSA-N 274.408 3.934 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2nccc(C#N)n2)c2ccccc21 518689811 ZRJLVGVTYKBITJ-HZPDHXFCSA-N 278.359 3.645 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CS1 94471534 MWDDUGIUJMBWHT-SCZZXKLOSA-N 286.322 3.883 30 20 CHED N#C[C@H](NC(=O)c1sccc1F)c1ccccc1Cl 335935490 AXVVVABSAARMCA-NSHDSACASA-N 294.738 3.535 30 20 CHED CCc1ccc(N/C(O)=N/[C@@H]2CCOC(C)(C)C2)cc1C 330603526 KEZVRWDZUCTBQY-OAHLLOKOSA-N 290.407 3.841 30 20 CHED C#CCCCCN[C@H]1CCC[C@@H]1c1ccc(F)cc1 90399396 JGVOTHDMDSCDPB-SJORKVTESA-N 259.368 3.855 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@H]1CCCCN1C1CC1 433794858 ATLKWKDGQAANGN-OAHLLOKOSA-N 289.810 3.640 30 20 CHED CC[C@@H]1CN(CC#Cc2cccc(Cl)c2)CCS1 437581281 WAOJVOLBPYBWSD-OAHLLOKOSA-N 279.836 3.519 30 20 CHED Cc1cc(F)cc2c1CN(Cc1ccc(C#N)c(F)c1)CC2 337449517 JWUBNCHYBXEDAL-UHFFFAOYSA-N 298.336 3.703 30 20 CHED CC(C)N(CC1CC1)C(=O)C[C@@H](CC#N)c1ccccc1 526981708 QVHDLGLJVWDGIK-QGZVFWFLSA-N 284.403 3.721 30 20 CHED CC1=C(C(O)=Nc2ccc3c(c2)N(C(=N)O)CC3)CCC1 330326242 VBRWOGRSJBSIJZ-UHFFFAOYSA-N 285.347 3.630 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@H]1C#N 331481270 FDBDOACKNDHJNJ-UAGQMJEPSA-N 297.402 3.534 30 20 CHED C=CC[C@@H]1N(C(=O)NC2CCCC2)CCCC1(C)C 436105311 XGDTWENMQVUFBZ-AWEZNQCLSA-N 264.413 3.705 30 20 CHED C=CCc1cc(C)cc(OC)c1OC[C@H]1CCCOC1 527112328 MBLOXQLWTFKNIY-AWEZNQCLSA-N 276.376 3.538 30 20 CHED N#Cc1ccc(CS[C@H]2CCCOC2)c(Cl)c1 438903313 VNWQDZZQBASMIT-LBPRGKRZSA-N 267.781 3.624 30 20 CHED C=CCCOCCCCC(=O)N(CC)c1ccccc1F 342783243 RDLKMKBUVPOYBN-UHFFFAOYSA-N 293.382 3.942 30 20 CHED CC1CCC(CC(=O)N(C)c2ccc(C#N)cc2)CC1 439943391 QQSYPEASZIEMAR-UHFFFAOYSA-N 270.376 3.737 30 20 CHED CN(CC(C)(C)C#N)[C@H]1CCc2ccc(Cl)cc21 433290402 SKXHIMPPFYJENA-AWEZNQCLSA-N 262.784 3.809 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C#N)cs1 437572587 YHHDFEULQGNDPV-UONOGXRCSA-N 290.432 3.954 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1ccc(F)c(C#N)c1 439741940 SRSJQKHSEIVXHN-UHFFFAOYSA-N 262.328 3.708 30 20 CHED CCCO[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)CC1 248983171 VVIMMMBQHQMSTJ-CRAIPNDOSA-N 286.419 3.900 30 20 CHED CCOc1ccccc1COc1ccc(C#N)c(F)c1 609424887 VVERVFFUYVXQRK-UHFFFAOYSA-N 271.291 3.675 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 608959885 SNBUEXSTLLOOPG-CABCVRRESA-N 278.440 3.990 30 20 CHED C=CCN(CC=C)C(=O)N1CCC(Cc2ccccc2)CC1 244238379 WFNFQRDMIYZTAC-UHFFFAOYSA-N 298.430 3.735 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C2CCCCC2)ccn1C(C)C 341976466 KHXXHEWTHZLPOD-MRXNPFEDSA-N 287.407 3.580 30 20 CHED CCOC(=O)[C@@H](Sc1ccc(C#N)cc1)c1ccccc1 434650679 PPYUPYBVGHWCDA-INIZCTEOSA-N 297.379 3.955 30 20 CHED CC(C)CNC(=O)c1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 437129297 ZATHJIVERODTQT-PBHICJAKSA-N 299.418 3.567 30 20 CHED C=CCN(C(=O)[C@H](OC(C)(C)C)c1ccccc1)C1CC1 347895285 DRRCNJRLDHSMIG-MRXNPFEDSA-N 287.403 3.720 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC/C(C)=C\c1ccccc1 435739058 FBNCFPACZJRZIN-BUSTWTSYSA-N 271.404 3.661 30 20 CHED Cc1ccc(C=NOCc2cccc([N+](=O)[O-])c2C)cc1 255087611 XGXBTKYDSUQGGY-UHFFFAOYSA-N 284.315 3.762 30 20 CHED COc1cccc(-c2nnc(S[C@@H](C)CCC#N)o2)c1 600608696 WQSNNKMKZWJPEI-JTQLQIEISA-N 289.360 3.530 30 20 CHED N#Cc1ccccc1/C=C\C(=O)NCCC1=CCCCC1 255477468 PTQVKEVWGJFELG-KHPPLWFESA-N 280.371 3.578 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 343054433 OVGYIOCNURYCQZ-HOCLYGCPSA-N 281.334 3.841 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 342364400 SLMJQOURAQHYJA-IKOXMDCHSA-N 273.376 3.587 30 20 CHED CC(C)(C)c1ccc(OCCN[C@H]2CC[C@H](C#N)C2)cc1 442764622 CUHHYKWIBCBTQT-HOCLYGCPSA-N 286.419 3.645 30 20 CHED Cc1cc(-c2ccc(Cl)cc2)n(C[C@@H](C)C#N)n1 601933998 WFRYBJVKYKQRAE-JTQLQIEISA-N 259.740 3.672 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCCC[C@H]1CC(C)C 607081022 UDPGHQZAGKIVSO-CVEARBPZSA-N 281.440 3.785 30 20 CHED C=CCC[C@@H](NC(=O)/C=C\c1cccnc1)c1ccccc1 255128363 NDYJDWHKGFHORY-MENFKHAKSA-N 292.382 3.919 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(Cc2cccc(C#N)n2)C1 602476235 XAAGWHXWZXIHHT-SCLBCKFNSA-N 295.361 3.675 30 20 CHED C=C[C@@H]1OCC[C@H]1NC[C@H](C)c1ccc(C(F)(F)F)cc1 449520402 PHRJUYZLODPKQO-GLQYFDAESA-N 299.336 3.742 30 20 CHED Cc1cnc(OC(C)C)c(NCc2cc(C#N)cs2)c1 449357797 LTSOXLXLNKQZPP-UHFFFAOYSA-N 287.388 3.723 30 20 CHED Cc1cccc(OCCCNC[C@@H](C)CCC#N)c1C 602640342 NBCRUDIYOMCSHR-AWEZNQCLSA-N 274.408 3.602 30 20 CHED C=CCC(C)(C)CNC(=O)c1coc2ccccc12 352539437 AQZJXOWUOZIOMR-UHFFFAOYSA-N 257.333 3.765 30 20 CHED C=CCCOCCN[C@@H](CC)c1cc(Cl)ccc1OC 358380754 LUTIOIIBGMHNKC-HNNXBMFYSA-N 297.826 3.982 30 20 CHED C=CCN1CCC(N[C@H](CC2CC2)c2ccccc2)CC1 532231542 TULQQLOBMVTOPV-LJQANCHMSA-N 284.447 3.768 30 20 CHED CC1(C)CCCN(Cc2ccc(OCC3CC3)cc2)[C@@H]1C#N 446976019 USNPAHHVDGHGJP-GOSISDBHSA-N 298.430 3.990 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](OCC)c1ccccc1 606813740 BRMIUDYHJYFMGP-QGZVFWFLSA-N 289.419 3.969 30 20 CHED Cc1cccc(O)c1NC(=O)C[C@H](CC#N)c1ccccc1 356611415 BYQFDUUUTWWIAP-HNNXBMFYSA-N 294.354 3.727 30 20 CHED N#C[C@@H](NC(=O)CCC1CC1)c1c(Cl)cccc1Cl 265339241 VETOQMSIYNFVTE-GFCCVEGCSA-N 297.185 3.864 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N(C)Cc1cc(C#N)cs1 355204745 HXJNNRQIRHQYJN-CABCVRRESA-N 292.448 3.645 30 20 CHED C=CCC1(NC(=O)c2cc3ccncc3s2)CCCC1 619110958 SABUPFGODIQGFV-UHFFFAOYSA-N 286.400 3.915 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(N[C@@H]2CC[C@@H](C#N)C2)c1 442853248 IZWKPWAAATZMEG-HUUCEWRRSA-N 280.375 3.593 30 20 CHED C=CCN(CCc1ccccc1)Cc1cnccc1C 353451650 TXMGYMWXJCGQKG-UHFFFAOYSA-N 266.388 3.621 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](CC)OC1CCCCC1 538334251 SBXCHRHUXVZQRO-HOCLYGCPSA-N 281.440 3.975 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)C(=O)CC(C)(C)C#N 618629333 DGPFRRXJTGBQRW-UHFFFAOYSA-N 299.201 3.892 30 20 CHED COc1cc(C#N)ccc1CN(C)Cc1cc(C)ccc1F 444731030 IHFLJXMHNWYESS-UHFFFAOYSA-N 298.361 3.646 30 20 CHED CCO[C@@H](CNC1CCC(C)(C#N)CC1)c1ccccc1 449289718 UZCLHGASAKAAQM-ADKAHSJRSA-N 286.419 3.826 30 20 CHED C=CCC[C@H](N[C@H]1CCN2CCC[C@H]2C1)c1ccccc1 358325509 DYTNBFTXJBUUQA-FHWLQOOXSA-N 284.447 3.910 30 20 CHED C=CC[C@H]1N(Cc2nccs2)CCCC1(C)C 444791190 MLRKNJZZSWNSGH-GFCCVEGCSA-N 250.411 3.710 30 20 CHED C=CCCC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 265648738 YHGNFMDORNSMGH-CYBMUJFWSA-N 285.391 3.761 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 533915126 RVIXVFBFRFVWGV-BLLLJJGKSA-N 290.382 3.849 30 20 CHED C=CCN(C(=O)NCCc1ccc(C(C)C)cc1)C1CC1 536747983 VUUIDNNLUFXREW-UHFFFAOYSA-N 286.419 3.713 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(C#N)cc1F 610280513 UXYHPJSKHNXBRM-IRXDYDNUSA-N 266.319 3.839 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 458102933 CLZWKMHWVFNXGF-QFBILLFUSA-N 298.430 3.678 30 20 CHED C=CC(C)(C)CNC(=O)Cc1ccccc1C(F)(F)F 452773609 JAJXIGSWGYXCJA-UHFFFAOYSA-N 285.309 3.576 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccc(C#N)cc2C)c1 618320505 HVNSAUTUFCQRKU-UHFFFAOYSA-N 282.362 3.946 30 20 CHED N#CC1(CN2CCC[C@H](c3nc4ccccc4s3)C2)CC1 539452777 IJDSDJUZQWDTAL-ZDUSSCGKSA-N 297.427 3.779 30 20 CHED C=CCC1(CNC(=O)C[C@@H]2CCC[C@H](OC)C2)CCCC1 456504998 LBWLCUPXQDQKFK-CVEARBPZSA-N 293.451 3.834 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2ccco2)CCCC1(C)C 368916610 ZYYGZZUTEWLTRL-FMKPAKJESA-N 287.403 3.976 30 20 CHED C/C(=C\C(=O)NCCCC#N)c1ccc(C(F)(F)F)cc1 273060949 SSHUDUSLQPCAQA-ZHACJKMWSA-N 296.292 3.529 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC[C@H](c3ccco3)C2)n1 613423847 QJHJDFYDCGEQAU-AWEZNQCLSA-N 295.386 3.838 30 20 CHED COc1ccc2cc([C@H](C)NCCCC#N)ccc2c1 271801604 SDTQHLWBOHEYJS-ZDUSSCGKSA-N 268.360 3.803 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)c1cnccc1C#N 611101153 DVCXIMHLHGFNDP-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=CCC1(CNC(=O)c2ccc3c(c2)CCOC3)CCCC1 615973083 OBAZCHUNSLRWKB-UHFFFAOYSA-N 299.414 3.626 30 20 CHED C=CCC1(C(=O)Nc2cccc3c2OCCC3=O)CCCC1 450496701 AFVHLYSOCKROPT-UHFFFAOYSA-N 299.370 3.727 30 20 CHED CC(C)(C)[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 543243920 BPBCHFDMDINIKF-HNNXBMFYSA-N 259.368 3.545 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CC)c1cccc(Cl)c1 362372076 XCINQEGPSJWELC-MFKMUULPSA-N 266.772 3.665 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(-c2csc(C)n2)cc1 362629779 HPZOAPWATDNEJM-SNVBAGLBSA-N 287.388 3.815 30 20 CHED CC(C)[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1 541912570 BDAODOIUCYIAFR-QGZVFWFLSA-N 299.418 3.719 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 455304062 BQBITDZMANPDSF-XJKSGUPXSA-N 290.382 3.884 30 20 CHED C=CCNC(=O)N(Cc1cccc(Cl)c1)CC(C)C 621244861 DBUQFQCUBLUTKH-UHFFFAOYSA-N 280.799 3.694 30 20 CHED C=CC[C@H](C(=O)NCCOC(C)(C)CC)c1ccccc1 457351746 CLHRTYPVXQENHR-INIZCTEOSA-N 289.419 3.668 30 20 CHED CC#CCCCC(=O)Nc1cc(OCC)ccc1Cl 456050486 RUGFAPWGFTWDBJ-UHFFFAOYSA-N 279.767 3.871 30 20 CHED N#CCCN(Cc1cccnc1)C[C@H]1C[C@H]1c1ccccc1 361308547 AJPHCGBAAWJEHY-MOPGFXCFSA-N 291.398 3.601 30 20 CHED N#Cc1ccnc(Nc2ccc(OC3CCCC3)c(F)c2)n1 450359152 VEDKAOGRVIACRE-UHFFFAOYSA-N 298.321 3.552 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(OCC)c1)C1CC1 271447493 CMMCCENJSYFFHS-UHFFFAOYSA-N 274.364 3.576 30 20 CHED Cc1ccnc(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1C#N 541279792 UVPZXMFSIBCSDP-DZGCQCFKSA-N 295.361 3.783 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(Nc2ccccc2)c1 468832509 FHRLNSLQUMSRBX-LBPRGKRZSA-N 265.316 3.528 30 20 CHED CS[C@H]1CCC[C@@H](Nc2cc(C(C)=O)ccc2C#N)C1 273266053 YUKWTRCCAZNYAH-CABCVRRESA-N 288.416 3.847 30 20 CHED C=CCN(C(=O)NCc1ccc2sccc2c1)C1CC1 462160601 BCWSXSGETLJOPY-UHFFFAOYSA-N 286.400 3.761 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H](C)C1CC1)c1ccccc1 270305890 XTEHLEVMSJLCRR-UONOGXRCSA-N 257.377 3.603 30 20 CHED N#CC1(c2nc(-c3coc4ccccc34)no2)CCCC1 277966262 SDNBBJQBIVDGCD-UHFFFAOYSA-N 279.299 3.818 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1c1ccccc1 466378338 LGRKNVPQGSBLFV-JKSUJKDBSA-N 272.392 3.888 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 462062371 XKPDZEMULBPTGC-NVXWUHKLSA-N 298.430 3.946 30 20 CHED Cc1ccccc1-c1noc(-c2cc(C#N)cs2)n1 544931744 SWCMNHUJEUXPBQ-UHFFFAOYSA-N 267.313 3.645 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C)C(C)(C)C1 546151341 UGFYXDYQDVAHEC-LBPRGKRZSA-N 285.391 3.767 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc(C2CCC2)c1 461099326 DNMUSZUOUYJWFW-HNNXBMFYSA-N 298.430 3.955 30 20 CHED N#Cc1nnc2ccccc2c1SCCC(F)(F)F 280160200 GKKWRQGDTWKOIF-UHFFFAOYSA-N 283.278 3.546 30 20 CHED CC(C)(C#N)CC(=O)NCCCCc1ccc(Cl)s1 283827405 ADSJMQCFLJHMEH-UHFFFAOYSA-N 298.839 3.780 30 20 CHED C=CCOc1ccc(CC(=O)N(CC)[C@@H](C)C(C)C)cc1 460060384 LDJZAEKRSXXZMX-HNNXBMFYSA-N 289.419 3.687 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccccc2OC(F)F)no1 289157264 ZRXCUWUHOYMQND-AWEZNQCLSA-N 293.273 3.529 30 20 CHED C=CCCN(C)C(=O)CCc1ccc(Cl)cc1Cl 466652740 YWBOYSDXOZZPRW-UHFFFAOYSA-N 286.202 3.961 30 20 CHED C=CC[C@H](CC)NC/C=C\c1ccccc1[N+](=O)[O-] 466384774 VNVZSXKTFJWBHX-YHAOYDPOSA-N 260.337 3.552 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cnc(C)nc2C)cc1 287369371 HRKDTDOBVGETDS-ZDUSSCGKSA-N 297.402 3.509 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](CC)Oc1ccccc1Cl 466533904 KYQPCOHVVQETCE-TZMCWYRMSA-N 295.810 3.968 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 466135721 XMWGDEPBIQRYFZ-SOUVJXGZSA-N 264.413 3.563 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N[C@@H](C)CC#N 280771723 OKTAKMHTXMSWKM-LBPRGKRZSA-N 273.380 3.544 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc2c(C)nn(C)c2c1 462871706 RBGTXGBRFNZJTC-NEPJUHHUSA-N 257.381 3.894 30 20 CHED C[C@H]1CC(c2noc(-c3ccnc(C#N)c3)n2)C[C@H](C)C1 289522980 CIHQPDDYXRDDKK-GHMZBOCLSA-N 282.347 3.543 30 20 CHED CC#CC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 282776608 KYHXKYYODCIPPY-UHFFFAOYSA-N 282.170 3.508 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@@H]1[C@H](C)CCC 558455933 NIFPBFPRYTTXTC-HUUCEWRRSA-N 290.455 3.993 30 20 CHED CC[C@@H](NCCSCc1ccccc1C#N)C1CC1 557264002 QSLAIBFKPAOKSP-MRXNPFEDSA-N 274.433 3.570 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2cnc[nH]2)cc1 555731338 NTPCSITWLYKBIK-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=CCOc1ccccc1CNC(=O)N(C)[C@H](C)CCC 477564928 WWMHLWNNFWXOHV-CQSZACIVSA-N 290.407 3.581 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@H](CC2CC2)C1 550422164 FVCYBYDMCHBTLM-CYBMUJFWSA-N 274.795 3.834 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 297249149 VFSMBSYPBOPTMU-UHFFFAOYSA-N 274.147 3.850 30 20 CHED C[C@@H]1Oc2ccccc2[C@H]1Nc1nc(Cl)c(C#N)s1 808132306 AMYKALJSICAFGY-CPCISQLKSA-N 291.763 3.602 30 20 CHED Fc1ccc2nc(C=NNCC3CCCC3)sc2c1 808006337 UKHNFUOAVKIEQZ-UHFFFAOYSA-N 277.368 3.549 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cc1F)[C@H](C)CC 1338837048 QIQAZPYKUXOCFS-GFCCVEGCSA-N 276.355 3.738 30 20 CHED CC#CCN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 473189333 IBCNPABJGZMNOG-CQSZACIVSA-N 299.361 3.819 30 20 CHED CCCN(CCC1CCOCC1)Cc1ccc(C#N)cc1 292764434 XVJJNVZHNQGXGU-UHFFFAOYSA-N 286.419 3.587 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2cccc(Cl)c2F)no1 290251197 ZQXVIJOUBLCXSU-CQSZACIVSA-N 293.729 3.644 30 20 CHED CCOC1(CNC2CC(C#N)(c3ccccc3)C2)CCCC1 389866525 YUZKBHUIPZKVCD-UHFFFAOYSA-N 298.430 3.549 30 20 CHED C(=NNc1nccnc1C1CCC1)c1c[nH]c2ccccc12 807991125 GJRNQUNNAHERPJ-UHFFFAOYSA-N 291.358 3.671 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1cccc(F)c1F 294428440 FQVUKZYYFDYQRY-JTQLQIEISA-N 267.319 3.744 30 20 CHED C=CC(C)(C)C(=O)OCc1cnc(-c2cccs2)o1 297352355 KKTWFOQLNKPPCG-UHFFFAOYSA-N 277.345 3.659 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1OC1CCCC1 806215599 FFLGKNDGROEZDL-CYBMUJFWSA-N 286.375 3.541 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H]1CCc2ccccc2C1 644802708 KTPTYAULEPKXID-AWEZNQCLSA-N 271.404 3.510 30 20 CHED N#Cc1nnc2ccccc2c1NCC[C@@H]1C[C@H]2CC[C@H]1C2 394226396 SPRTVJUTEOHSBK-MELADBBJSA-N 292.386 3.740 30 20 CHED CCCC[C@@H](C)C(C)=NNc1nc(-c2ccncc2)no1 807968575 YLSSSAPVAFBMKJ-LLVKDONJSA-N 287.367 3.746 30 20 CHED C=CCCC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 294721652 YSXCQWPPKGWFFE-HAQNSBGRSA-N 263.768 3.668 30 20 CHED N#Cc1cc(F)ccc1N1Cc2cccc(Cl)c2C1 808084916 HNLYCPUJWYWBSN-UHFFFAOYSA-N 272.710 3.871 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCc2nc(Cl)ccc21 806164546 WJKOVPYFVZNXPT-ZYHUDNBSSA-N 250.773 3.667 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccccc1CCOC 297927482 VIGDVVITOVHGCV-UHFFFAOYSA-N 290.407 3.599 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2c2ccc(C#N)c([N+](=O)[O-])c2)C1 394262189 GMXUJSDYNPMPSA-WMLDXEAASA-N 299.374 3.871 30 20 CHED C#CCN(CCCc1cnccc1C)Cc1ccc(F)cc1 809556024 OKVVWBVYDACGOI-UHFFFAOYSA-N 296.389 3.597 30 20 CHED Cc1ccc(CC(=O)OCc2ccc(C#N)cc2F)cc1C 803868434 CECCBWPALYXQGE-UHFFFAOYSA-N 297.329 3.600 30 20 CHED Cc1c(NN=C[C@@H](C)C(C)(C)C)cccc1[N+](=O)[O-] 800811704 FSSRTXCJOJMDLK-SNVBAGLBSA-N 263.341 3.983 30 20 CHED C[C@@H](C#N)OCCSCC1CCC(C)(C)CC1 802752305 PNCAWWIRGWJFAQ-LBPRGKRZSA-N 255.427 3.865 30 20 CHED CC#CC(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1 801180503 YWDHRCPHZYMTBZ-QGZVFWFLSA-N 269.388 3.887 30 20 CHED CO[C@@](C)(C=NNc1ccc(OC(F)F)cc1)C1CC1 814828693 ONQSZAGKVFFQIU-AWEZNQCLSA-N 284.306 3.501 30 20 CHED N#Cc1cccc(N2CC=C(c3cccc(Cl)c3)CC2)n1 480598920 BKNMNCWSMCQMPP-UHFFFAOYSA-N 295.773 3.900 30 20 CHED c1ccc(C2CC(=NNc3cnnc4ccccc34)C2)cc1 814849379 SDEFMSLDOLIZPY-UHFFFAOYSA-N 288.354 3.975 30 20 CHED COc1ccc(CNc2ccc(CC#N)cc2)c(C)c1 1199515024 VLCJEHMSWXURSH-UHFFFAOYSA-N 266.344 3.682 30 20 CHED C=CCn1cccc1C(=O)NC[C@@H]1CCCc2ccccc21 488397147 KWSUGWFYBMQWRM-INIZCTEOSA-N 294.398 3.524 30 20 CHED C=CCC(F)(F)C(=O)N(C)c1cccc(C(C)C)c1 815107993 RFDPKTOECXRUKL-UHFFFAOYSA-N 267.319 3.984 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N[C@@]2(C#N)CC2(C)C)c1 484909551 KKYHRKUIYCWJLP-IFXJQAMLSA-N 298.430 3.797 30 20 CHED C=C(C)CN(C)C(=O)c1cccn1[C@@H](C)Cc1ccccc1 482234120 WDMAAVSSPYWMFK-INIZCTEOSA-N 296.414 3.940 30 20 CHED Cc1ccc(NN=C2CC[C@@H](c3ccccc3)C2)nn1 814840848 STLORFMHXSBAIT-CQSZACIVSA-N 266.348 3.521 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCCc1nccs1 657919477 MPIGSLHXJBDESQ-UONOGXRCSA-N 264.438 3.800 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@H](CC)OC)cc1 810260528 LHPXQQRJFGYCGM-HIFRSBDPSA-N 297.826 3.894 30 20 CHED CN(Cc1ccc(C#N)cn1)[C@@H]1CCC[C@H]1c1ccccc1 570525089 HDJYAOPBXCBNQL-RBUKOAKNSA-N 291.398 3.721 30 20 CHED C[C@@H]1C[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)C[C@H](c2ccccc2)C1 576840965 MUDKYIIVCYMQOQ-ZFSSFNRBSA-N 296.414 3.625 30 20 CHED CC(C)OCCON=C[C@H](C)CCc1ccccc1 812238219 WDAHTGOKPZKTAZ-OAHLLOKOSA-N 263.381 3.683 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C)C1CC1)c1ccc(Cl)cc1 811949351 VZPCHZODZSWBKC-IAQYHMDHSA-N 275.779 3.567 30 20 CHED CSC(C)(C)CC=NNc1ccc(F)cc1F 814686336 AYIXJRMBZVQQCT-UHFFFAOYSA-N 258.337 3.894 30 20 CHED C=CC[C@H](C)N[C@H](c1ccc(OC)cc1)c1ccccn1 652166391 QNRQKLPQRJPSAT-KBXCAEBGSA-N 282.387 3.734 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc3cnccc3c1)C2 811696398 SYDOGBKDJSHHTL-QGMBQPNBSA-N 296.329 3.929 30 20 CHED C=CC[C@@H](C(=O)OCCc1cncs1)c1ccccc1 811119489 SFBVIHFJLZKGPU-OAHLLOKOSA-N 287.384 3.589 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 653691354 CMXVMEDOESCZPW-LLVKDONJSA-N 297.320 3.818 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 811949625 JZYHQVFXPZWIHB-DDUYRFODSA-N 287.790 3.567 30 20 CHED C=CCCCCOC(=O)Cc1c(C)[nH]c2ccccc12 811012557 OTWPQDZVQSUDMU-UHFFFAOYSA-N 271.360 3.918 30 20 CHED C[C@H]1CCC[C@@H](C)N(Cc2ccc(C#N)c(F)c2)C1 483939495 JXILQQLZRMSJSP-QWHCGFSZSA-N 260.356 3.708 30 20 CHED CCOc1ccc(NN=C2[C@H]3CCCO[C@H]3C2(C)C)cc1 814984685 FQCDVMJMQZLCLP-GDBMZVCRSA-N 288.391 3.688 30 20 CHED Cc1cc(SCc2noc(C(C)(C)C)n2)ccc1C#N 570569509 XLPHMRCQPXHGAW-UHFFFAOYSA-N 287.388 3.840 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1CCC(C)=C(C)C1 576521421 SJBMEIRUPSFENV-CQSZACIVSA-N 284.359 3.642 30 20 CHED C=CCCCCN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 576671957 UUTOKDXXZHUPMV-QRVBRYPASA-N 285.431 3.847 30 20 CHED C#Cc1cccc(NC(=S)N2c3ccccc3C[C@@H]2C)c1 726435015 YONUABDHRFBNFC-ZDUSSCGKSA-N 292.407 3.816 30 20 CHED C=CCCOC(=O)C(C)(C)c1ccccc1Cl 729074277 OJKHBDYVQXRCLZ-UHFFFAOYSA-N 252.741 3.737 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cc(-c2ccccc2)on1 820302255 VMPMIVRLUKQHTJ-UHFFFAOYSA-N 285.343 3.987 30 20 CHED CON=C1CCCc2nc(-c3ccc(OC)cc3)sc21 727777538 PWUHJDIYUDZOTA-UHFFFAOYSA-N 288.372 3.506 30 20 CHED CC[C@@](C)(C#N)c1nc([C@H]2CCCC(C)(C)C2)no1 576384416 ITGNBHRSJSVDKE-NHYWBVRUSA-N 261.369 3.945 30 20 CHED C[C@@H]1CN(c2nccc(C#N)c2Cl)[C@@H]2CCCC[C@H]12 570554234 LLQXZVKWOYVZRC-RAIGVLPGSA-N 275.783 3.622 30 20 CHED C=CCN1CC[C@H](Nc2ccc(CCCCC)cc2)C1=O 491344366 ZPBVZPVLXZQHFV-KRWDZBQOSA-N 286.419 3.618 30 20 CHED N#Cc1cncc(N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 574305965 DXNMWHOBRULGGX-GXTWGEPZSA-N 298.777 3.750 30 20 CHED N#CCC1(CN[C@@H]2CCc3c(Cl)cccc32)CC1 577452085 UOLPGHSGWPHSEK-CQSZACIVSA-N 260.768 3.611 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N=c1ccc(C#N)c[nH]1 499554497 DJXPPTYZTHYJFR-INIZCTEOSA-N 299.418 3.700 30 20 CHED CC(C)(c1noc([C@@H](N)CCCC#N)n1)C1CCCCC1 823105358 BDQQKQKOHHMBHM-ZDUSSCGKSA-N 290.411 3.621 30 20 CHED C=CC[C@@H](C)C(C)=NNC(=S)Nc1ccccc1F 727777039 MLJZMEILEFTCQL-SNVBAGLBSA-N 279.384 3.700 30 20 CHED C=CCCCS(=O)(=O)N(CCC)Cc1ccc(C)cc1 583239221 XGBIUFDFESOUMS-UHFFFAOYSA-N 295.448 3.503 30 20 CHED CC(C)(C)OC(=O)CCSCC1(C#N)CCCC1 821083994 GJDVXSYQBSOPAO-UHFFFAOYSA-N 269.410 3.535 30 20 CHED Cc1cc(Cl)c(NC(=O)N2CC(C)(C#N)C2)cc1Cl 498370948 BFMRQGHBNBYDBT-UHFFFAOYSA-N 298.173 3.679 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1O[C@@H](C)C#N 828834965 ZZRLOZVHOAZQBJ-BFHYXJOUSA-N 286.375 3.598 30 20 CHED C=CCCC(=O)Nc1cc(Cl)cc2cccnc12 588022302 NXDQOYWRDNSMBT-UHFFFAOYSA-N 260.724 3.793 30 20 CHED Cc1ccc([C@@H]2CCCCCN2C(=O)C#CC(C)C)o1 828405127 VSGNCYMLOZKUMN-HNNXBMFYSA-N 273.376 3.691 30 20 CHED Cc1nc(/C=C2/CCCc3ccccc3C2=O)[nH]c1C 901415340 HWFLJEZWKNILMX-UVTDQMKNSA-N 266.344 3.629 30 20 CHED C#CCN(C)C(=O)Nc1ccccc1-c1cccs1 491047247 UEGNKCZWRWDLMK-UHFFFAOYSA-N 270.357 3.512 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)SCCCC)c1ccncc1 734233935 CDYGIGYVRWSOQR-ZFWWWQNUSA-N 292.448 3.737 30 20 CHED C=CCSCCNC(=O)c1cc2cccc(C)c2s1 581273704 VGMGENPMNFNMKX-UHFFFAOYSA-N 291.441 3.859 30 20 CHED C[C@H](CCC(=O)OCc1cc(C#N)ccn1)c1ccccc1 909092776 QWEQLYDNQCPDMW-CQSZACIVSA-N 294.354 3.580 30 20 CHED Cc1ccc(C=NNc2cc(F)c(F)cc2F)cc1F 734302036 WQHPFTPMFBSNNZ-UHFFFAOYSA-N 282.240 3.997 30 20 CHED CC[C@H](NCCCOC(C)(C)C)c1cccc(C#N)c1 903049794 HGNHQHQMVGVFPP-INIZCTEOSA-N 274.408 3.804 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C)ccc1Cl 907016869 CLMVBUPLYICBSX-FZMZJTMJSA-N 279.767 3.568 30 20 CHED C=CCCNC(=O)N(CC)[C@H](CC)Cc1ccccc1 665945635 IEVPFQIHLZTAOC-MRXNPFEDSA-N 274.408 3.615 30 20 CHED C=CC(C)(C)COC(=O)Cn1cc(-c2ccccc2)c(C)n1 835723079 MMUKMIJQAATNBF-UHFFFAOYSA-N 298.386 3.614 30 20 CHED Cn1ccnc1C(=O)/C=C/c1c(Cl)cccc1Cl 735792800 KPIYIXBRWKHIGL-AATRIKPKSA-N 281.142 3.623 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@H](C)c1cnccn1 906364534 RGWIOSJCLNQJBW-CABCVRRESA-N 291.439 3.693 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(C2CCCCC2)cc1 733883371 BONDJJAXKCYSOU-UHFFFAOYSA-N 269.388 3.876 30 20 CHED CCc1nc2ccccc2n1N=Cc1nc(C)c(C)s1 901163418 IXNFSLSMESEFQK-UHFFFAOYSA-N 284.388 3.554 30 20 CHED C=CCCC1(CN[C@@H]2CC[C@@H](CC(=O)O)[C@H]2C)CCCC1 902424282 ULLKSDYTBPIDBN-OWCLPIDISA-N 293.451 3.992 30 20 CHED C=C[C@@H](CC)OC(=O)c1ccsc1Br 835274867 YISXLAFIZJQZIR-ZETCQYMHSA-N 275.167 3.632 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1ccc(-c2ccccc2)nn1 903846988 RPCSGEIJDRJTGZ-CQSZACIVSA-N 295.386 3.709 30 20 CHED CN(C(=O)C#CC(C)(C)C)[C@@H]1CCCc2ccccc21 837328471 YXNLYVOQABPPKF-MRXNPFEDSA-N 269.388 3.572 30 20 CHED O=C(/C=C\c1ccn(-c2ccccc2)n1)c1sccc1O 588495689 UAFAMRSEIGPKRD-SREVYHEPSA-N 296.351 3.536 30 20 CHED N#CCCCCCC(=O)N1CCCc2c(F)cc(F)cc21 588867582 YEPXPRJYRRYGPO-UHFFFAOYSA-N 292.329 3.718 30 20 CHED CC(C)Cc1nc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cs1 839047993 KKPQNIUKZHHRID-NWDGAFQWSA-N 292.404 3.581 30 20 CHED N#CCC[C@H](C#N)CNC[C@@H]1CCCC[C@H]1c1ccccc1 581300591 WEVMWXZLVZYPJA-NEWSRXKRSA-N 295.430 3.994 30 20 CHED c1ccc([C@@H]2CCCC2=NNc2ccccn2)cc1 732528258 UVCHEIAQGPEFRO-AWEZNQCLSA-N 251.333 3.817 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 833971680 LHRICZCBUSZRNK-MWDXBVQZSA-N 291.435 3.539 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCCC12CCC2 834979767 QWXPBCDMUFXRKI-AWEZNQCLSA-N 272.392 3.754 30 20 CHED Cc1sccc1C(=O)OCCCC(C)(C)C#N 838104477 CDESUVADLZXXOD-UHFFFAOYSA-N 251.351 3.543 30 20 CHED Cc1ccc(CNC(=O)CC2(C#N)CCCCC2)s1 596821234 HHPQYWYUASDIIH-UHFFFAOYSA-N 276.405 3.537 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)CCc1ccco1 911737129 ZGGLQFJIJNNEPI-HUUCEWRRSA-N 290.407 3.741 30 20 CHED C=CCN(C(=O)Nc1ccccc1Cl)C(C)C 916704657 GUIBRKVGGWJDJO-UHFFFAOYSA-N 252.745 3.768 30 20 CHED O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])Oc2ccccc21 742435370 AAOPSUAYHFITGR-PFKGSKDKSA-N 293.278 3.767 30 20 CHED N#CC1(Cc2nc(-c3ccsc3)no2)CCCCC1 594728194 DQWKNYFNERNBNI-UHFFFAOYSA-N 273.361 3.815 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H]1CCSC1 743691509 LUPXMIVWGQKJSL-AWEZNQCLSA-N 286.485 3.884 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cc(C#N)cs1 748440004 CSCFIQAPLRBAIH-PLNGDYQASA-N 298.323 3.733 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)C(C)C 749982221 XSJMKTOMHZVZBV-AWEZNQCLSA-N 275.392 3.612 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c(CC)nn(C)c1Cl 743450884 SMOJLWZBCJCVHV-GFCCVEGCSA-N 298.862 3.918 30 20 CHED C[C@H](CCCc1cccnc1)N[C@H](C#N)c1ccccc1 595540875 SEYOPBBSSDHCKL-CRAIPNDOSA-N 279.387 3.647 30 20 CHED CC(C)CCN(CCC#N)c1ncccc1Br 598605627 GVAXPDFSZSLYJH-UHFFFAOYSA-N 296.212 3.610 30 20 CHED CN(C)C(=O)c1ccccc1/C=C1\CCCC(C)(C)C1=O 841485481 LQWANBBWJVRKSN-WYMLVPIESA-N 285.387 3.551 30 20 CHED C#CCOc1ccccc1-c1noc(C2CC3(CCC3)C2)n1 842964933 DAEINVZSXXDWHZ-UHFFFAOYSA-N 294.354 3.796 30 20 CHED C#CCN(C(=O)C[C@H](C)c1ccccc1)C1CCCCC1 743692424 VFXRDUXFKNSKIH-INIZCTEOSA-N 283.415 3.975 30 20 CHED Cc1ccc(NN=Cc2nccc3ccccc23)cc1 740760529 WPOLUGFPTDJTBH-UHFFFAOYSA-N 261.328 3.989 30 20 CHED CCCCCCCCCOC(=O)[C@@H]1CCCN(C(C)=O)C1 919015724 KMYRYAMHCMRKSZ-MRXNPFEDSA-N 297.439 3.539 30 20 CHED CCCCCCCOC(=O)c1cc(C)nc2onc(C)c12 918493317 OUBICFSMQXRBRE-UHFFFAOYSA-N 290.363 3.967 30 20 CHED CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CCCCC1 593954161 YRCIGNFNEPXIHH-HNNXBMFYSA-N 298.430 3.918 30 20 CHED COc1ccc(CNN=Cc2cccc3ccccc23)cc1 917547352 PGQKIVSBYWJLPL-UHFFFAOYSA-N 290.366 3.972 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCCC[C@@H]1c1ccccc1 593412795 SECWZBIOWRTLBV-GOEBONIOSA-N 270.376 3.680 30 20 CHED C=C[C@@H](CC(=O)OCc1cc(C2CC2)n[nH]1)c1ccccc1 848012740 PKGCCPLREITVNP-ZDUSSCGKSA-N 296.370 3.690 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C2/Oc3ccccc3C2=O)cc1 742436180 IWZNGNRSEHIDLI-VAKHEIKFSA-N 291.306 3.594 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(OCCC(C)C)cc1 593498466 CUEYXSNHDINOBW-CYBMUJFWSA-N 274.364 3.600 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H](C)c1ccco1 593958349 KGBILESSKZFHNZ-KBPBESRZSA-N 296.370 3.549 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)CCSCC 596433954 UCFCVFQRCQZSCM-LBPRGKRZSA-N 272.458 3.562 30 20 CHED CCCC[C@H](C)N(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 594034921 GLBAASCDUWMCAV-CABCVRRESA-N 286.419 3.774 30 20 CHED Fc1ccccc1NN=Cc1cccc(OC(F)F)c1 747046618 DFVXJWAEPHLRRT-UHFFFAOYSA-N 280.249 3.873 30 20 CHED COCc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1 741844264 QYQIXTQSQHYPRV-LICLKQGHSA-N 278.351 3.964 30 20 CHED C=CCN(C(=O)CCc1c[nH]c2cc(C)ccc12)C(C)C 744504909 RYGYWFDPVUYCCW-UHFFFAOYSA-N 284.403 3.832 30 20 CHED CC(C)Oc1cccc(C=NNCc2ccccc2)c1 921257359 XRHMIYDHOVRDFF-UHFFFAOYSA-N 268.360 3.598 30 20 CHED O=C1/C(=C/c2ccsc2)Oc2cc(F)cc(F)c21 758028359 FBEZNIQQSJRTQN-JYOAFUTRSA-N 264.252 3.643 30 20 CHED CC(CC(C)(C)C#N)=NNc1cc(F)c(F)c(F)c1 853314716 TTXOXJPJBSYCFD-UHFFFAOYSA-N 269.270 3.832 30 20 CHED Fc1ccc([C@@H]2CCCC2=NOCC(F)F)cc1 758906558 JDHFZXWLGQXZGC-NSHDSACASA-N 257.255 3.731 30 20 CHED CCC/C(C)=C/C(=O)Nc1sc(C)c(C)c1C#N 920216280 MWDMKWRMDVOIFC-VQHVLOKHSA-N 262.378 3.922 30 20 CHED Cc1cccc(C)c1/C=C\C(=O)c1ccc(C(=O)O)s1 755585465 UPGDYDIGFMFPEZ-SREVYHEPSA-N 286.352 3.959 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 856501015 NEODRWINMJFFSN-HOTGVXAUSA-N 261.409 3.751 30 20 CHED C=CC[C@H](NC(=O)N[C@@H]1CCC[C@H]1CC)c1ccncc1 757207564 IKAZYUKOWBIIHK-VNQPRFMTSA-N 287.407 3.577 30 20 CHED CCCCCCCCNC(=O)N(C)C1CCC(OC)CC1 755074806 AVHUNHCVILVXCK-UHFFFAOYSA-N 298.471 3.946 30 20 CHED CCCc1ccc(/C=C2\CCn3nccc3C2=O)s1 857203091 YLSLHUHTCYHJMI-ZHACJKMWSA-N 272.373 3.567 30 20 CHED C=CC(C)(C)CCOC(=O)CCCc1ccccn1 851299498 OJAHNGNLDFAQRA-UHFFFAOYSA-N 261.365 3.550 30 20 CHED C(=NNc1nc2ccccc2s1)C1CCSCC1 853256564 UFAKCVAIIQCXRC-UHFFFAOYSA-N 277.418 3.837 30 20 CHED C=CCCSCCNC(=O)/C=C(\C)c1cccs1 857306368 BOHZTIDODUWLDA-VAWYXSNFSA-N 281.446 3.577 30 20 CHED Cc1sc(NC(=O)C#Cc2cccs2)nc1C(C)C 855238420 VARNKDNFVRTVEC-UHFFFAOYSA-N 290.413 3.627 30 20 CHED C=CCC1(NC(=O)c2csc(C3CC3)n2)CCCC1 855927785 ZHRQKNSBNJUTJX-UHFFFAOYSA-N 276.405 3.639 30 20 CHED C=C(Cl)CSCC(=O)Nc1ccccc1CC 853782682 JNMMJCBLJGQQKD-UHFFFAOYSA-N 269.797 3.673 30 20 CHED C=CCNC(=S)Nc1cc(C)c(Br)c(C)c1 754856591 FEEUIWWPVQLUKV-UHFFFAOYSA-N 299.237 3.538 30 20 CHED Cc1ccnc(NN=C2CC(C)(C)Cc3occc32)c1 755905692 JHKIAASOYZMNNY-UHFFFAOYSA-N 269.348 3.772 30 20 CHED C#CCCN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 752857615 WVOHHOKLXSYXFF-UHFFFAOYSA-N 297.442 3.803 30 20 CHED COc1cc(Cl)c(C=NNC2CCCC2)cc1Cl 753922134 PZNOVVXYGNGDJS-UHFFFAOYSA-N 287.190 3.868 30 20 CHED CCC[C@@H](NC=C1C(=O)CC(C)(C)CC1=O)c1ccccc1 920979305 GKJFEVRDANCOPN-MRXNPFEDSA-N 299.414 3.960 30 20 CHED CC(=NNc1ncnc2c1oc1ccccc12)c1ccoc1 755891595 CMHKQMBMQAKPCI-UHFFFAOYSA-N 292.298 3.805 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cnc[nH]1 853294296 KOXRXSCOFFVKCF-LBPRGKRZSA-N 270.380 3.608 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CC(F)C1 753074227 WZDMKXATBANLTF-CYBMUJFWSA-N 257.393 3.944 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H](OCC)C1 754863979 HQEMZQVLWSRTBI-HNNXBMFYSA-N 284.444 3.557 30 20 CHED Cc1cncc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 933611411 PHGKXYCYCJVDIT-UHFFFAOYSA-N 291.398 3.641 30 20 CHED CCCC(CCC)=NNc1ccc(C(=O)O)cc1OC 756901659 VCKJAIJJMMMZLL-UHFFFAOYSA-N 278.352 3.762 30 20 CHED C=CCCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 757106335 FNQNTPLLPOPNQU-CABCVRRESA-N 296.455 3.578 30 20 CHED COc1cccc(/C=N\CC(C)(C)c2ccc(C)cn2)c1O 864346420 WGONALJLPYMVFG-ODLFYWEKSA-N 298.386 3.501 30 20 CHED C#CCCCNc1ccc(OC)cc1C(F)(F)F 766727244 ZZSWSCGEGBLICY-UHFFFAOYSA-N 257.255 3.539 30 20 CHED C#CCCCN1CCC(=Cc2ccccc2F)CC1 766907126 VEUKQLWOASPRIU-UHFFFAOYSA-N 257.352 3.718 30 20 CHED CCC(C#N)(CC)C(=O)OCc1nc2ccccc2s1 860193422 LAKVGUFSELCUDV-UHFFFAOYSA-N 288.372 3.669 30 20 CHED C#CCCc1noc(Cc2coc3cc(C)c(C)cc23)n1 762015965 HCWLZCGPLVWONS-UHFFFAOYSA-N 280.327 3.589 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Cl)c2occc12 934233159 FFYWNILKZPYZAZ-GFCCVEGCSA-N 290.750 3.754 30 20 CHED COCCCC(C)=NNc1ccc(F)c(Cl)c1 863178664 ADMVRPFKNSPZKW-UHFFFAOYSA-N 258.724 3.694 30 20 CHED Fc1cc(NN=C2CCC(C(F)(F)F)CC2)ccn1 766027681 VURFPYFGGCZGLO-UHFFFAOYSA-N 275.249 3.741 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccccc1N(C)C 769585162 KZUXIRYXWONJNI-UHFFFAOYSA-N 289.329 3.867 30 20 CHED CCC(CCc1ccccc1)=NN[C@@H]1CCOC1(C)C 863117727 BUOAIYBIQKRURS-MRXNPFEDSA-N 274.408 3.542 30 20 CHED CC(C)c1ccc([C@@H](C)NN=C2CCC(O)CC2)cc1 761781335 FDCIKHONMPVUSQ-FWJOYPJLSA-N 274.408 3.752 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1Cc2ccc(C)cc2S1 1118832748 JHOXPJWWFMMUHB-HNNXBMFYSA-N 289.444 3.873 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1C[C@]12CCOC2 763428427 YCYGBOAWRGPDQU-RDJZCZTQSA-N 281.440 3.622 30 20 CHED C#CCCN1CC=C(c2ccccc2C(F)(F)F)CC1 760861856 YBVTTZQMNLWPQR-UHFFFAOYSA-N 279.305 3.818 30 20 CHED C=C(CN[C@@H](C)c1c(CC)noc1C)c1ccccc1 769871462 GWJUZCPXXRWNAQ-ZDUSSCGKSA-N 270.376 3.909 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cccnc2)cc1 57825026 YODHLJFSXBCPSA-JXMROGBWSA-N 267.328 3.767 30 20 CHED N#C[C@@H](OC(=O)c1nccc2ccccc12)C1CCCCC1 776380022 VDTBVWHJHKDXES-MRXNPFEDSA-N 294.354 3.864 30 20 CHED Cc1cc(C)cc(C2(C(=O)OCCC(C)(C)C#N)CC2)c1 776376571 GWYHMCCOEFEOJP-UHFFFAOYSA-N 285.387 3.818 30 20 CHED CC(=NOC(C)(C)C)c1ccc(F)cc1OC(F)F 1116404193 DCQUQCZJDRXTCO-UHFFFAOYSA-N 275.270 3.966 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)cc1 772804729 XKQPCIQTYIYTLS-TWGQIWQCSA-N 281.286 3.602 30 20 CHED CC(C)(C#N)COC(=O)c1ccc(SC(F)(F)F)o1 870277105 TXWOCFXWVAEQEK-UHFFFAOYSA-N 293.266 3.598 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C(=O)C(F)(F)F)cc1 870750325 OZJGMZRBBVTIFA-UHFFFAOYSA-N 299.292 3.972 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccncc2CC)cc1 773430462 ZNWOTUZYKVIFID-OAHLLOKOSA-N 294.398 3.507 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccc2[nH]ncc2c1 779819339 RWRDNBGLFAPTGG-ZDUSSCGKSA-N 256.353 3.787 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1)c1ccncc1 878071781 XKWBUSPCPJZOKS-SFHVURJKSA-N 294.398 3.890 30 20 CHED C#CCCCCCC(=O)n1ccccc1=Nc1ccccc1 779767765 PJHHNCZDPLGOEV-UHFFFAOYSA-N 292.382 3.944 30 20 CHED C#CCCCCCC(=O)N(C)c1ccc(OCC)cc1 779959044 RESFCGBOQDPZJM-UHFFFAOYSA-N 273.376 3.632 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#N)cc1F)C2 772806223 KWLLPZKBFRGXEK-RIYZIHGNSA-N 293.297 3.528 30 20 CHED C=CCN(C(=O)N[C@H](CC)c1ccccc1OC)C1CC1 772432119 LGUMQSBZZJFPAF-OAHLLOKOSA-N 288.391 3.506 30 20 CHED CC(C)OCCNN=C1CCC(C(C)(C)C)CC1 778548203 RXETVTSZRJVZHH-UHFFFAOYSA-N 254.418 3.593 30 20 CHED O=C1/C(=C\C2=Cc3ccccc3OC2)Oc2cc(F)ccc21 773170948 GCHKYELLDITDHU-CAOOACKPSA-N 294.281 3.761 30 20 CHED C#CCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 779708440 WVOGKSCEHWKHNZ-UHFFFAOYSA-N 273.420 3.655 30 20 CHED CC1(CNC(=O)Cc2ccccc2CC#N)CCCCCC1 776987478 CZWGTDRYAAYJOY-UHFFFAOYSA-N 298.430 3.772 30 20 CHED C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C1CC1 774066586 YJPMRPRCUAHQSQ-CYBMUJFWSA-N 296.370 3.900 30 20 CHED N#Cc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)c(F)c1 772808094 UDGZDJSMBKDNDQ-ZSOIEALJSA-N 293.297 3.615 30 20 CHED CC(C)c1ccc(N(C)c2nnc(C(C)(C)C#N)n2C)cc1 1121267837 DSJOPEKAQMOOHC-UHFFFAOYSA-N 297.406 3.508 30 20 CHED CCC[C@@H]1CCCC1=NNc1ccc(C(=O)O)cc1 788406788 CZFRBXDAYHFTJT-LLVKDONJSA-N 260.337 3.753 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NN[C@H](CO)c1ccccc1 788456949 GCUMTQOPHSBWRE-CZUORRHYSA-N 274.408 3.512 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2C(F)(F)F)n(C)n1 789159306 KTAQZWOKINOMGV-BQYQJAHWSA-N 294.276 3.643 30 20 CHED CC1(C(=O)OCc2ccc(Cl)cc2C#N)CCCC1 780036511 DQCHYBKCIPSQCW-UHFFFAOYSA-N 277.751 3.835 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Cl)c(C)c2)n(C)n1 789159655 PDZQVPRQLGDLIH-ALCCZGGFSA-N 274.751 3.586 30 20 CHED Cc1cccc2c1CCN(c1ncc(Cl)c(C)c1C#N)C2 784161606 VLAHDOMNDMFQMZ-UHFFFAOYSA-N 297.789 3.786 30 20 CHED Cc1cccc2oc(C(=O)N(C)c3ccccc3C#N)cc12 1127132390 OCJOJBKBMUVKRB-UHFFFAOYSA-N 290.322 3.890 30 20 CHED C#CCC1(C(=O)N2CCC[C@@](C)(CC)C2)CCCCC1 788229259 QMBVEEICTYYGCG-QGZVFWFLSA-N 275.436 3.999 30 20 CHED Fc1cc(NN=Cc2scnc2C2CC2)cc(F)c1F 782242693 KNFWXXFDTLQAKG-UHFFFAOYSA-N 297.305 3.884 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 780329936 HEAXWBAPFRLTTL-SFHVURJKSA-N 299.414 3.942 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H](C)CC2)CCCCC1 788179886 XFTKVZOSZCXGPF-OAHLLOKOSA-N 261.409 3.609 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(OC(C)C)c1 785533913 IEGCKILUJLFWOY-QGZVFWFLSA-N 275.392 3.692 30 20 CHED N#Cc1nc(N[C@H](c2ccccn2)C2CC2)sc1Cl 895796885 URXOHGAUWDHXBT-NSHDSACASA-N 290.779 3.626 30 20 CHED Fc1ccc2c(c1)OCCC2=NNc1c(F)cccc1F 794909006 PFSZMFXVODKRLK-UHFFFAOYSA-N 292.260 3.703 30 20 CHED N#CCc1cccc(NC(=O)Nc2cccc3[nH]ccc23)c1 1205390486 YBDHHCGMGOHYMP-UHFFFAOYSA-N 290.326 3.878 30 20 CHED Cc1ccc(CN(C(=O)c2ccc(C)c(C#N)c2)C2CC2)o1 799312628 JEDPWIWEJCMXIL-UHFFFAOYSA-N 294.354 3.573 30 20 CHED CC(C)(C)C1CCN(N=C2CCC23CCOCC3)CC1 799886390 PCWQXUYIBIITFY-UHFFFAOYSA-N 278.440 3.691 30 20 CHED Cc1ccc(C(=O)N2C[C@@H](C)c3ccccc32)cc1C#N 799310982 OSIYVRCCHDOTCO-CYBMUJFWSA-N 276.339 3.631 30 20 CHED Cc1ccc2c(c1)CN(CCCC(C)(C)C#N)CC2 595657507 LIFJJCFNURXIDH-UHFFFAOYSA-N 256.393 3.683 30 20 CHED C=CCOc1ccc(CN[C@H]2CC[C@H]2C2CC2)cc1 554094420 DWZQFLDYFJAANO-IRXDYDNUSA-N 257.377 3.530 30 20 CHED CCCCCCCOC(=O)Cc1ccc2n[nH]cc2c1 796120660 HODWBELEMWXKMS-UHFFFAOYSA-N 274.364 3.619 30 20 CHED C#Cc1cccc(N(CC)Cc2ccnc(Cl)c2)c1 728573410 PYUZRZVJUIIVSE-UHFFFAOYSA-N 270.763 3.743 30 20 CHED CC1(C)CC[C@H](NCc2ccc(C#N)cn2)c2ccccc21 795815418 BHYKVASJSIOFGJ-SFHVURJKSA-N 291.398 3.856 30 20 CHED COc1ccc(F)c(N[C@@H](C)CC(C)(C)C#N)c1 829179491 MODMMMAPMMGSPI-JTQLQIEISA-N 250.317 3.575 30 20 CHED Cc1csc(NC(=O)NC[C@@H]2CCCC2(C)C)c1C#N 1204888138 AXEDRPJFUKJNJT-NSHDSACASA-N 291.420 3.876 30 20 CHED C=CCCCCN(Cc1ccco1)C[C@H]1CCCO1 649255340 RAJFIGYHFCQZNA-MRXNPFEDSA-N 263.381 3.617 30 20 CHED FC(F)(F)c1cccc(NN=C[C@@H]2CCCSC2)n1 794911874 SGOADMBKZFVWRB-VIFPVBQESA-N 289.326 3.641 30 20 CHED CSCCON=C1CCSc2ccc(Cl)cc21 794572748 WKEZEISAZWBJCG-UHFFFAOYSA-N 287.837 3.920 30 20 CHED C=CCCCCC[C@@H](C)NC1CCN(C(=O)OCC)CC1 793523116 HXWVNDGNKLHFGF-OAHLLOKOSA-N 296.455 3.722 30 20 CHED Fc1ccc(/C=C\C=NO[C@H]2CCCCO2)cc1F 794923366 OVAWYKSHQLWPLY-WCDKZVTISA-N 267.275 3.507 30 20 CHED C/C(C=NNC1CC1)=C\c1ccccc1C(F)(F)F 799884196 HMTUAUDTOCPYFN-VPBCOVHZSA-N 268.282 3.847 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1cc(C)c(C)o1 799878361 VHJPTHXLELOBLQ-UHFFFAOYSA-N 287.319 3.949 30 20 CHED CC1(C)CC(CNc2ccc(C#N)nn2)CC(C)(C)C1 699456643 OOSJEMYWQPGNJS-UHFFFAOYSA-N 272.396 3.613 30 20 CHED Cc1nc(C#N)cc(NCc2ccc(C)c3ccccc23)n1 1158504306 LPZBHHHPAFAAIC-UHFFFAOYSA-N 288.354 3.730 30 20 CHED C[C@@H]1Cc2cc(Nc3ccc(Cl)c(C#N)n3)ccc2O1 1164264800 IBOCMHBZWQWHGG-SECBINFHSA-N 285.734 3.674 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)C[C@@H]1CC1(C)C 1232609611 MGDJTTWBQQFTHR-ZDUSSCGKSA-N 262.784 3.690 30 20 CHED CC(C)(C#N)CCN1CCC(C(=O)c2cccs2)CC1 1324939128 MYDIYXPRGHUEOJ-UHFFFAOYSA-N 290.432 3.583 30 20 CHED C(=NNCCCc1ccccc1)c1ccc2c(c1)CCC2 1329989645 HRSHMQGLCHMWFJ-UHFFFAOYSA-N 278.399 3.732 30 20 CHED N#Cc1cccc(NC(=O)CCNC2CCCCCCC2)c1 1325852908 DFSDDZNQUXLNQI-UHFFFAOYSA-N 299.418 3.589 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(NC(C)=O)cn1 1324659650 GQZANILRDSTVAE-LBPRGKRZSA-N 261.369 3.587 30 20 CHED Cc1cccc(C)c1-c1nnc(-c2cccc(C#N)c2)o1 1328430216 YKAVVBYGGREDKP-UHFFFAOYSA-N 275.311 3.892 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 1336963034 DLTZDRKBGXUZRR-UONOGXRCSA-N 261.365 3.936 30 20 CHED CCC(C#N)(CC)c1nc(-c2cc3ccccc3[nH]2)no1 1332829206 PBVKJOIOCTYDEY-UHFFFAOYSA-N 280.331 3.799 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(C#N)o1 1264852401 WYDVUXQTBMZPTK-VNHYZAJKSA-N 288.391 3.589 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@H]1c1cc(C)on1)c1ccccc1 1346152465 HKKDPNAEEJVPAM-WBVHZDCISA-N 296.370 3.616 30 20 CHED C=C[C@H](CC(=O)N1c2ccncc2C[C@H]1C)c1ccccc1 1347083391 PTWPLJWFFFMIEM-HUUCEWRRSA-N 292.382 3.719 30 20 CHED CC(C)N(C(=O)c1cc(C#N)ccc1F)c1ccccc1 1357963954 GWBZKQAOFODAJK-UHFFFAOYSA-N 282.318 3.753 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc2[nH]ccc2c1 107551798 WNHBOFLNFCECQP-UHFFFAOYSA-N 290.366 3.996 30 20 CHED N#Cc1ccc(F)c(NC(=O)Cc2ccc(Cl)cc2)c1 1436644017 SYAZHJLZVFFAGI-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@H]1c1ccccn1)c1ccccc1 1519021001 PZIQDKLRYHDWSQ-AEFFLSMTSA-N 292.382 3.715 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)C[C@@H](C)COC)c1cccs1 1519366472 NFVKENGBHXXSSA-JMSVASOKSA-N 295.404 3.555 30 20 CHED CC(C)Oc1ccccc1C(=O)Nc1cccc(CC#N)c1 1525934401 UPUPNVBBDCTDEZ-UHFFFAOYSA-N 294.354 3.792 30 20 CHED CC1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCCCCC1 1528490010 NEYQARPPVBHTQY-KBPBESRZSA-N 263.381 3.972 30 20 CHED CCSc1ccccc1CC(=O)O[C@@H]1CC[C@@H](C#N)C1 1525006841 RZSQEUQSFSRAGO-TZMCWYRMSA-N 289.400 3.577 30 20 CHED Cc1cccc(Cl)c1COC(=O)Cc1cccc(C#N)c1 1522745819 PHRCUJINHRWXIZ-UHFFFAOYSA-N 299.757 3.806 30 20 CHED C=CCCC[C@H](Nc1ncc(C(=O)O)cn1)c1ccccc1 1602872651 MBAXFNRMIZSDSL-HNNXBMFYSA-N 297.358 3.684 30 20 CHED CC1(C)CCC[C@H]1CNc1ccc(Cl)c(C#N)n1 1559196929 JZNGGOBOKFATQU-JTQLQIEISA-N 263.772 3.845 30 20 CHED CC[C@@H](CN(CC)Cc1cc(C#N)ccn1)c1ccccc1 1645352095 PZEZEVAUQZNLEF-KRWDZBQOSA-N 293.414 3.969 30 20 CHED CCCC[C@H](CC)CCCN(C)c1ccc(C#N)nn1 1640177556 FHWYTSWIHRUWGP-AWEZNQCLSA-N 274.412 3.781 30 20 CHED CCCN(CCN1CCCCCC1)Cc1cccc(C#N)c1 1643270019 MSGDCTXAGJPZJW-UHFFFAOYSA-N 299.462 3.646 30 20 CHED O=C(/C=C/c1cccnc1)c1nc2ccccc2s1 7039510 OVHUKXXNMCTHPU-BQYQJAHWSA-N 266.325 3.587 30 20 CHED C=CCC[C@H](CC)Nc1cc(COC)cc(C(=O)O)c1 1588777846 MYHYYNJWJFHLKO-AWEZNQCLSA-N 277.364 3.688 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCC1Cc2ccccc2C1 1657761831 PRMJSFYFMZQNOY-AWEZNQCLSA-N 270.420 3.709 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 122278369 YVVOYONJYDRSLU-JTQLQIEISA-N 270.298 3.906 30 20 CHED N#Cc1cccnc1NC[C@H]1CCC[C@@H]1c1ccccc1 1655509922 YFEXXAQXKFSOFH-IAGOWNOFSA-N 277.371 3.949 30 20 CHED C#Cc1cccc(N(CC)Cc2cc(C(=O)O)ccc2F)c1 1588522208 IXJBGCKNXSQLKR-UHFFFAOYSA-N 297.329 3.532 30 20 CHED Cc1ccc2c(c1)OCCN2Cc1ccc(C#N)c(C)c1 1664190083 PXYGKNVYHYITEW-UHFFFAOYSA-N 278.355 3.574 30 20 CHED O=C(O)c1ccccc1NN=C1C[C@@H]2CC=CC[C@@H]2C1 1776032257 WCTBTFUYBDBFSY-TXEJJXNPSA-N 270.332 3.529 30 20 CHED C=C(Cl)C[C@@H](NCc1cccc2ccccc12)C(=O)O 1776143453 SNJBLTYDVFLFCL-OAHLLOKOSA-N 289.762 3.525 30 20 CHED CCCOc1ccc(OC(=O)c2cccc(C#N)c2)cc1 5608415 WUBOJIBBTJCABY-UHFFFAOYSA-N 281.311 3.566 30 20 CHED C=CCNC(=S)N[C@@H]1CCSc2ccc(Cl)cc21 16703928 JHDBCZVMJWQYBV-LLVKDONJSA-N 298.864 3.527 30 20 CHED C#CCCCNc1c(F)cc(Br)cc1F 161059254 SMTROFANSILWRC-UHFFFAOYSA-N 274.108 3.553 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 160173435 BERQALKUKKTGOQ-UHFFFAOYSA-N 285.391 3.822 30 20 CHED O=C1/C(=C\c2ccc(O)cc2)CCc2ccccc21 1640548 SRJMKMQJTLCMRQ-KAMYIIQDSA-N 250.297 3.605 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc1Cl 152594971 MYSJOHAYMQYOQO-UHFFFAOYSA-N 295.729 3.644 30 20 CHED C=C(C)CN(CC)Cc1cccc(Br)c1O 159002643 POFOLVZDZNLRFZ-UHFFFAOYSA-N 284.197 3.553 30 20 CHED CCSc1cccc(NC(=O)N2CCC[C@H](C#N)C2)c1 1119814034 NAXKJUJJMBUIOH-GFCCVEGCSA-N 289.404 3.566 30 20 CHED C#CCCCCNc1ncc(Br)cc1Cl 236051149 WULMWNMLTQGKMJ-UHFFFAOYSA-N 287.588 3.713 30 20 CHED C=CCNc1cc(Br)ccc1N1CCCC1 129686447 CIKVMNOJQLYFLD-UHFFFAOYSA-N 281.197 3.647 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)cc1F 32509606 LBXDSEIUVHHICE-UHFFFAOYSA-N 276.198 3.537 30 20 CHED N#Cc1ccc(NC[C@H]2CCCN2Cc2ccccc2)cc1 301309685 XXFGXNXMBVENOR-LJQANCHMSA-N 291.398 3.635 30 20 CHED C=CCCC[C@H](C)Nc1nccc(C(F)(F)F)n1 302037437 VHKOLHPMMHNIOK-VIFPVBQESA-N 259.275 3.652 30 20 CHED COc1ccc(NCc2ccc(C#N)c(F)c2)cc1Cl 190315715 UUDVZMSRBMDWFX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC(C2CC2)C2CC2)c1 400843901 JVDWCHPKQMEILY-UHFFFAOYSA-N 268.360 3.632 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 307776023 OSZLTXRTVXMWNS-CQSZACIVSA-N 276.424 3.745 30 20 CHED COc1ccc(CNc2ccc(Cl)cc2)cc1C#N 87822352 VTNYLCCSWSIVMN-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1cc2nc(-c3ccc(C#N)cc3F)[nH]c2cc1C 448110787 UKNALUSOTNASHU-UHFFFAOYSA-N 265.291 3.858 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)cc1C#N)C1CCC1 702271269 IARRATYROPJNQE-SECBINFHSA-N 262.740 3.586 30 20 CHED N#Cc1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 585709916 WQDKSIFABQFFKR-KWBADKCTSA-N 274.751 3.586 30 20 CHED Cc1cc(C)cc(C(=O)OCc2ccccc2C#N)c1 8098544 QJYPZTOXNOROBB-UHFFFAOYSA-N 265.312 3.532 30 20 CHED C=CCNC(=O)[C@H](C)Sc1ccc2ccccc2c1 8531764 UYQQOBDRYFYETG-LBPRGKRZSA-N 271.385 3.623 30 20 CHED N#Cc1ccc(Cn2cc(-c3ccccc3)cn2)c(F)c1 50165045 LUODXLUQBLTGPQ-UHFFFAOYSA-N 277.302 3.609 30 20 CHED CC(C)(C)[C@H]1OCCC[C@H]1CNCc1cc(C#N)cs1 177703507 KXISOUONRAABTN-ZFWWWQNUSA-N 292.448 3.551 30 20 CHED O=C1/C(=C/c2cccnc2Cl)COc2c(F)cccc21 171541581 JJURGNJPUUSOED-JXMROGBWSA-N 289.693 3.533 30 20 CHED CCCCN(C)CC1CCN(Cc2ccc(C#N)cc2)CC1 52208601 INSLPWKLORHITF-UHFFFAOYSA-N 299.462 3.502 30 20 CHED C=CC[C@@H](C)NC(=O)CCSc1ccccc1Cl 116856489 DFYQQUGGWRZXMO-LLVKDONJSA-N 283.824 3.903 30 20 CHED Cc1cc(N(C)C)cc(C)c1NCc1cccc(C#N)c1 178988818 KBMGHWTYQCJUMS-UHFFFAOYSA-N 279.387 3.853 30 20 CHED Cc1ccc(NC(=O)c2sccc2C#N)c2cccnc12 52029889 HVTYBUDMFDOFDI-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 69334573 IIQCDIQIQDOQML-PBHICJAKSA-N 287.403 3.544 30 20 CHED C=CCN(Cc1ccccc1F)Cc1cccc2nccn12 179831631 HQGNRGOTKFMPBJ-UHFFFAOYSA-N 295.361 3.662 30 20 CHED C[C@@H](NC(=O)C(C)(C)C#N)c1cccc(Cl)c1Cl 117730959 WJYPWLLGFVDCJG-MRVPVSSYSA-N 285.174 3.720 30 20 CHED C#CCCCCC(=O)NCc1ccc(C)cc1OCC1CC1 119983216 QFXHEVAWEREPGF-UHFFFAOYSA-N 299.414 3.594 30 20 CHED C=CCSc1ccccc1C(=O)NC/C=C/C1CC1 1344011477 HZRMQVLOLFUYMT-AATRIKPKSA-N 273.401 3.661 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C/c1ccccc1O 175900375 QUFFMVQGIUIJCA-ZTUFEDMWSA-N 263.406 3.875 30 20 CHED CN(c1ccc([N+](=O)[O-])c(C#N)c1)[C@H]1CCc2ccccc21 301805822 VVHRKTMOQZLHRL-KRWDZBQOSA-N 293.326 3.590 30 20 CHED C=CCOc1ccc(C(=O)Nc2ncccc2Cl)cc1 179666765 HEXIPRVIRAFUPU-UHFFFAOYSA-N 288.734 3.552 30 20 CHED Cc1occc1CN(C)c1cc(Cl)ccc1C#N 62789963 YXRMBYMRWOFVGI-UHFFFAOYSA-N 260.724 3.750 30 20 CHED Cc1ccc(N/C(N)=N\C[C@H]2CCCC[C@@H]2C)cc1 303881286 KSSWKLYXZVQZDR-UONOGXRCSA-N 259.397 3.548 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 409918852 NKLWFVUWEPILLP-NSHDSACASA-N 285.309 3.843 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)Cc2ccc3ccccc3c2)C1 179946360 YVLNPLCBBDDDJY-WMLDXEAASA-N 279.339 3.618 30 20 CHED C=CC1CCN(C(=O)c2sccc2C(C)C)CC1 110361118 AEHOCLQWGBGMPS-UHFFFAOYSA-N 263.406 3.910 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 301418258 GQJPHFRNUFTNFI-AWEZNQCLSA-N 288.354 3.917 30 20 CHED C=CCCCOC(=O)CCc1ncc(-c2ccccc2)o1 117993281 DRNKZCSATWRAJE-UHFFFAOYSA-N 285.343 3.784 30 20 CHED C=C(Br)CNc1ccc(Cl)cc1[N+](=O)[O-] 136269231 ORCXRTGIUGEKHO-UHFFFAOYSA-N 291.532 3.569 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](C)C2)c1 67319756 FVDOQDBKOPNBGQ-CQSZACIVSA-N 288.391 3.905 30 20 CHED C=CCCCC(=O)N[C@H](c1cccc(F)c1)c1ccccn1 179376143 PFEUGTGMBCXKLY-GOSISDBHSA-N 298.361 3.783 30 20 CHED C=CCn1c(C)nnc1S[C@H](C)c1ccc(F)c(F)c1 60423848 BHNLKEIFEBAGGU-SECBINFHSA-N 295.358 3.904 30 20 CHED Cc1ccc([C@@H](CNCC(C)(C)CCC#N)N(C)C)cc1 174320691 HIUOLVLVTXSKLS-QGZVFWFLSA-N 287.451 3.517 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1c(C#N)cccc1C#N 302873802 DLGOXRKGTXXIKT-NVXWUHKLSA-N 297.402 3.683 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 175999371 WTWHYXPBUIZXQZ-KBRIMQKVSA-N 279.339 3.789 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCC1CCC1 176112414 QGTNSRUPYRIGMF-UHFFFAOYSA-N 275.367 3.921 30 20 CHED C=C(Br)CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 306946651 NAKIUUXAYFSLBC-YPMHNXCESA-N 272.230 3.796 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2ccc3c(c2)OCO3)c1 33472217 HDEXCPILCJFVGW-ALCCZGGFSA-N 280.323 3.928 30 20 CHED C#C[C@H](CC)NCc1ccc(-c2ccc(F)cc2)o1 229893653 UWOGKHPWYPQFQN-CQSZACIVSA-N 257.308 3.587 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C/c1ccccc1F 121700631 DWFPAUNVDORDET-MDZDMXLPSA-N 288.366 3.818 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(C#N)c1 37284502 IHFGCHCUKCDRQJ-KGLIPLIRSA-N 275.355 3.842 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(F)cc1C(F)(F)F 126415468 CPJAFEQPCBWAHV-MRVPVSSYSA-N 275.245 3.539 30 20 CHED CC(C)Oc1ccccc1N[C@H]1CCC[C@H](C#N)C1 185729513 ILXFDFMBDLNIAZ-KBPBESRZSA-N 258.365 3.968 30 20 CHED CN(CCC#N)c1ccc(-c2nc3ccccc3[nH]2)cc1 123826882 GLSHJZCDQFGZAO-UHFFFAOYSA-N 276.343 3.580 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](CC)c1c(C)noc1C 180995184 BNMIVVMCPHIUGW-RISCZKNCSA-N 293.411 3.787 30 20 CHED C=CCc1cc(CN2CCCC3(CC3)C2)cc(OC)c1O 186626519 JJDAEKHIOTYEDB-UHFFFAOYSA-N 287.403 3.505 30 20 CHED CC1(C)C(CNc2nc(Cl)c(C#N)s2)C1(C)C 232784900 JVNHEUZETRFDGV-UHFFFAOYSA-N 269.801 3.762 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ncc(C#N)cc1F)CCC2 413305578 SCPWDXNYVZMUTP-MRXNPFEDSA-N 281.334 3.890 30 20 CHED CCC[C@@H](C)C(=O)Oc1c(Cl)cc(C#N)cc1OCC 78308046 BTVCZFRIVLVHNI-SNVBAGLBSA-N 295.766 3.952 30 20 CHED C#CCCCCC(=O)N1CCc2c1cccc2C(F)(F)F 125049784 FWXLGDWXFWNSBJ-UHFFFAOYSA-N 295.304 3.788 30 20 CHED CC(C)C[C@@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 76100137 LSJIZKZVMIUPPS-CHWSQXEVSA-N 283.375 3.811 30 20 CHED C=CCCC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 183254189 VCICMVAYJOLQBL-UHFFFAOYSA-N 293.326 3.795 30 20 CHED C=CCSCc1ccc(C(=O)OC)c(Cl)c1 419417751 XNFATPRDLMNQRN-UHFFFAOYSA-N 256.754 3.546 30 20 CHED CCc1ccc(C(C)(C)C(=O)OCC2(CC#N)CC2)cc1 79168449 HFIPNYNIWDBJIF-UHFFFAOYSA-N 285.387 3.764 30 20 CHED Cc1ccc([S@@](=O)CCCCC(C)(C)C#N)cc1 235763329 OCXPATHOJOTKHO-SFHVURJKSA-N 263.406 3.823 30 20 CHED CCCC[C@H](C)C(=O)Nc1nc(C)c(SCC#N)s1 503485387 HALCVFBXWBLKHG-VIFPVBQESA-N 297.449 3.832 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(C(F)(F)F)CC1 75969205 NXSWYWXBIOYYMT-NSHDSACASA-N 282.309 3.894 30 20 CHED Cn1cc(/C=C/C(=O)c2cccnc2)c(C2CCCCC2)n1 181383320 ZVWGTHJNIPNGOA-MDZDMXLPSA-N 295.386 3.759 30 20 CHED C[C@@H](CCC(=O)N(CC#N)C1CCCC1)c1ccccc1 122028147 PHOLCFHWOXWLKT-HNNXBMFYSA-N 284.403 3.865 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](CC)CC(F)(F)F 412661715 WNRVHXPWLXCXSJ-SNVBAGLBSA-N 265.319 3.684 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1O 189943358 HFVOTQCYCSJQSM-UHFFFAOYSA-N 288.306 3.669 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCc3c(F)cccc32)cc1 184427154 CJKHNTWOFWPPHM-ZDUSSCGKSA-N 296.345 3.679 30 20 CHED Cc1ccnc(CNc2ccc(Cl)cc2C#N)c1 336891753 IVZGZPNVWYTKED-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C[C@@]1(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC=CCC1 416096693 IFHXKAOWVHTDCE-PKOBYXMFSA-N 294.398 3.798 30 20 CHED C=C(C)[C@H](NCC(OCC)OCC)c1ccc(F)c(F)c1 187768622 ZKAXCNKMXKVNLM-INIZCTEOSA-N 299.361 3.571 30 20 CHED Cc1cc(C#N)ccc1CSc1ncc2ccccn12 186229168 SVTGCDXOEAHVQP-UHFFFAOYSA-N 279.368 3.807 30 20 CHED CC(C)OC1CCC(N[C@@H](C)c2cccc(C#N)c2)CC1 182063548 KVCJKQBKHBXDMW-NNGSBXSVSA-N 286.419 3.945 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c(C)c1 46440916 DKICVQDLQDLJJQ-AWEZNQCLSA-N 289.338 3.670 30 20 CHED C=CCOCCCN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C 503412034 SSJNJJBKSOWVAP-CJNGLKHVSA-N 279.811 3.757 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccoc1 412846715 XFUBUSYHAOKYCI-KRWDZBQOSA-N 283.371 3.516 30 20 CHED C[C@@H](CC(=O)N(C)[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 410893690 ZKSQLVUVOZTUTD-WDEREUQCSA-N 298.308 3.569 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCc1ccc(OCC#N)cc1 180554622 KOHPTZDNSKQLHI-ZIAGYGMSSA-N 272.392 3.503 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2CCO[C@H](CCC)C2)c1 180180289 NECVYMAKYXABTB-FUHWJXTLSA-N 299.414 3.616 30 20 CHED CC(C)N(CCC#N)Cc1ccc(F)cc1Cl 42530707 GYOWCHCCVAHQBK-UHFFFAOYSA-N 254.736 3.603 30 20 CHED Cc1cc(C)c(C#N)c(S[C@@H](C)c2cccnc2)n1 48833502 MDGCBDNLDOQOJL-LBPRGKRZSA-N 269.373 3.818 30 20 CHED N#Cc1cnc(N2CCC[C@@H](Cc3ccccc3)C2)c(F)c1 413123936 DRIXIOHWNNKYPN-HNNXBMFYSA-N 295.361 3.551 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2cccc(C#N)c2C)cc1C 509084570 RIYAGVYCDPTPNG-OAHLLOKOSA-N 292.382 3.975 30 20 CHED CC#CCNC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 136036558 IGACBSSTCSFAKK-UHFFFAOYSA-N 299.201 3.548 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccc(C2CC2)cc1 416079818 NUAAIGQLHNXXMM-CQSZACIVSA-N 269.388 3.935 30 20 CHED CC1(C)CCC[C@H](C/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)C1 328807463 IIQHFXKDRDUJTQ-TZMCWYRMSA-N 289.423 3.830 30 20 CHED N#C[C@@H](C(=O)c1cccc(F)c1)c1ccc2ccccc2n1 47376226 YLKCBADFBOMYBS-OAHLLOKOSA-N 290.297 3.864 30 20 CHED C#CCSCCN[C@H]1C[C@H](C)Sc2sccc21 222117261 YVDJZNPSAVEKOP-JQWIXIFHSA-N 283.487 3.630 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cccc(F)c2Cl)C1 612157829 DWTFEAQZZSROLV-AWEZNQCLSA-N 266.747 3.605 30 20 CHED CCO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 193522475 IDOSBSNFUCSNAF-KXBFYZLASA-N 294.398 3.987 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 425119911 AJDKKPVZRKBUSU-IDCJVQTKSA-N 296.414 3.904 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC(C)(C)C1CC1 425105458 DXUSOVFHWCAHFT-ZDUSSCGKSA-N 284.403 3.904 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](C)OCC1CC1)c1ccccc1 133915917 FTDQGCCGYDFUFX-WMLDXEAASA-N 287.403 3.625 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1ccccc1Cl 195434634 MCYWOQKIMDOVQP-RYUDHWBXSA-N 250.773 3.883 30 20 CHED Cc1ncc(N=C(O)c2cccc3c2CCC3)c(C2CC2)n1 329811817 RROQYGJYQUODNS-UHFFFAOYSA-N 293.370 3.787 30 20 CHED O/C(=N/[C@H]1CCCOCC1)Nc1cccc2ccsc12 329247699 WJFUIWYUJWDQKV-LBPRGKRZSA-N 290.388 3.796 30 20 CHED CC(=O)Nc1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1C 193015311 RJTNEHNRYOSCAW-ZDUSSCGKSA-N 293.370 3.998 30 20 CHED Cc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C 45218055 LWEMLVLNKAJVIR-CQSZACIVSA-N 278.355 3.666 30 20 CHED C=C(Br)CN[C@H](C)c1ccc(Cl)s1 42587799 XJNWJONOQLZWHM-SSDOTTSWSA-N 280.618 3.961 30 20 CHED C[C@@H](Nc1ncc2c(c1C#N)CCC2)c1ccc(F)c(F)c1 425204240 UAAJWICJPVFUTE-SNVBAGLBSA-N 299.324 3.893 30 20 CHED CCc1sc(C(=O)[C@H](C#N)c2ccccn2)cc1C 46705983 KMFGWHJTSCXSSX-LLVKDONJSA-N 270.357 3.504 30 20 CHED COC(=O)c1ccc(/C(O)=N/C2(C)CCCCC2)c(F)c1 331046323 GAZVYGIKMKZWCQ-UHFFFAOYSA-N 293.338 3.640 30 20 CHED C[C@H]1CC(Nc2c(C#N)nnc3ccccc23)C[C@H](C)C1 85920671 WASQMTHNXGXIJM-VXGBXAGGSA-N 280.375 3.738 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CCC(C)(C)O1 425536138 OJXCBDBOSYCDCB-CZUORRHYSA-N 272.392 3.509 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cccc(SC)n2)no1 424366526 XMNWXUUNBYHFRR-UHFFFAOYSA-N 275.377 3.707 30 20 CHED C=CC[C@H](C(=O)Nc1nnc(C2CC2)s1)c1ccccc1 516834141 YDMDPNPPJLAUST-ZDUSSCGKSA-N 299.399 3.714 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)c1cccc(SCC#N)c1 335194283 SNYHWWDEMNQEQD-GFCCVEGCSA-N 288.416 3.705 30 20 CHED C=CCOCCSc1nc(C)nc2sc(C)c(C)c12 338506957 WXZMYIAITRYKOW-UHFFFAOYSA-N 294.445 3.911 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 335758468 VGONHXSWWYZYDB-SNVBAGLBSA-N 286.281 3.730 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1OC 92224484 QNJORXUGOCFYDQ-KRWDZBQOSA-N 295.386 3.545 30 20 CHED Cc1ccc(C#N)cc1OCc1ncccc1C(F)(F)F 428077518 PAWXJLSIFLKMMH-UHFFFAOYSA-N 292.260 3.860 30 20 CHED CN(C(=O)NCC(C)(C)CC#N)[C@H]1CCCc2ccccc21 516410752 MBGVTXVQFKIGAL-INIZCTEOSA-N 299.418 3.645 30 20 CHED Cc1ccc2c(C(=O)N[C@H]3CCC[C@H]3C#N)csc2c1 331721316 KNAWJMHNFWWFTM-FZMZJTMJSA-N 284.384 3.632 30 20 CHED CC[C@@H](C)n1ncc(N/C(O)=N/C2CCCCC2)c1C 331110411 IFFYYZBWUBOPBZ-LLVKDONJSA-N 278.400 3.821 30 20 CHED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c2cccnc12 334607277 DYGZTIKVSHXTMN-CHWSQXEVSA-N 251.333 3.647 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 335844727 SNZJFVGGTLPZHP-ACJLOTCBSA-N 277.371 3.681 30 20 CHED CN(C(=O)c1ccc(C#N)s1)c1ccc(F)c(Cl)c1 334197573 NTADTWMZLUKOIM-UHFFFAOYSA-N 294.738 3.689 30 20 CHED C=C[C@@H](C)NC(=O)N1CC=C(c2ccccc2Cl)CC1 91705109 XUTZUEIYSQQSHB-GFCCVEGCSA-N 290.794 3.713 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCC[C@H](C)CC1 337986259 PABLZMPJVOAUQR-WFASDCNBSA-N 270.376 3.565 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2ccccc2C(F)(F)F)no1 334667684 FLGWPRUNQALNKK-SDBXPKJASA-N 293.248 3.557 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1CCCc2sccc21 336489057 OGCXIDKNOCEHEZ-AWEZNQCLSA-N 296.395 3.873 30 20 CHED COCCOc1cc(C)ccc1NCC(C)(C)CCC#N 92119103 YEOAFPSGDOGAIP-UHFFFAOYSA-N 290.407 3.762 30 20 CHED N#Cc1c(COc2cnc3ccccc3c2)cn2ccccc12 342259299 ISYPWBJQAGKJLF-UHFFFAOYSA-N 299.333 3.938 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@@H](CCC)C(=O)O 521887092 ZBKBRDXMVZTAED-NSHDSACASA-N 287.812 3.643 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1 248074292 HZLIIYQSRMMVFC-SFHVURJKSA-N 290.366 3.844 30 20 CHED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccn(C)n1 349758633 NJHUPLKZZNTXHW-HOTGVXAUSA-N 282.391 3.506 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)c2c(F)cccc2F)CC1 521174868 RHGIAOKCKSHATO-LLVKDONJSA-N 294.345 3.633 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)c1ccccc1OC(F)F 341747367 ZCMSLNRCQVYFBT-JTQLQIEISA-N 289.285 3.728 30 20 CHED CC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C 343631073 MTISEVXDSMMPHE-CQSZACIVSA-N 298.390 3.523 30 20 CHED C[C@@H](CCC#N)CN[C@@H](c1ccccc1)c1nccs1 602535702 XWTPDNQZBSKQMK-ZFWWWQNUSA-N 285.416 3.762 30 20 CHED CCS[C@H]1CCCCN(Cc2cc(F)ccc2C#N)C1 345934204 XWMYGGQGUCTSOU-INIZCTEOSA-N 292.423 3.805 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H]2CCSc3ccc(F)cc32)C1 349355068 NPNOZHRFZBCGFX-QKCSRTOESA-N 276.380 3.644 30 20 CHED C=C[C@@H](C)NC(=O)CCSc1ccc(Cl)cc1 340533991 YWAHWHRJZGFSHB-SNVBAGLBSA-N 269.797 3.513 30 20 CHED C=CCN(CCCn1ccnc1C)CC1CCCCC1 342863670 ILBXHWRQVZMMDM-UHFFFAOYSA-N 275.440 3.650 30 20 CHED C[C@@H](CCC#N)CNc1cn(C)nc1C1CCCCC1 602669840 BDZGNFZSLMTJIV-ZDUSSCGKSA-N 274.412 3.820 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 342962390 WTEKXOKJKBLYKA-RYUDHWBXSA-N 290.411 3.818 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1Cc2c(Cl)cccc21 529200950 VNJYORUFODQODY-BXUZGUMPSA-N 275.779 3.547 30 20 CHED CC1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CCCCC1 525837724 GFUFJLOLWFZFPQ-CQSZACIVSA-N 290.794 3.991 30 20 CHED C=CCCCCCOc1ccc(C(=O)NCC)cc1 447305987 ONFIGRAQIKRTIS-UHFFFAOYSA-N 261.365 3.562 30 20 CHED C=CCCN(C)C(=O)Cc1coc2c(C)c(C)ccc12 342009968 WQTMMPHDDJDIGT-UHFFFAOYSA-N 271.360 3.627 30 20 CHED O=C1/C(=C\c2cc(O)ccc2[N+](=O)[O-])CCc2ccccc21 255263887 XXYDRUSHJPLMQR-XFXZXTDPSA-N 295.294 3.513 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)on1 524195115 TXFCRQCQNMKFQA-JTQLQIEISA-N 290.750 3.689 30 20 CHED C=CCCCCCOc1ccccc1C(=O)N(C)C 447324168 FNBISTDWNQCJEK-UHFFFAOYSA-N 261.365 3.514 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1Cc2ccccc21 359434011 YIPGTHFVJZJAJE-QGZVFWFLSA-N 284.403 3.505 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@@H](C)c1ccc(CC)cc1 609990201 HCHYTPJXJZTEBO-CZUORRHYSA-N 272.392 3.551 30 20 CHED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1OC(C)C 442881312 ZEQLYYXSKHUXSJ-ZIAGYGMSSA-N 258.365 3.886 30 20 CHED C[C@H]1C[C@@H](C)CN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 353349446 RKAADYDTIPOGTB-HLLBOEOZSA-N 284.403 3.578 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)n1 602440037 MYJLGNTUXKWKPL-QGZVFWFLSA-N 297.789 3.944 30 20 CHED CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1F 355548574 UMPFAKQTOKCYTH-OAHLLOKOSA-N 296.345 3.876 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)CC1 357655653 MUIJVCNLRDDJIX-JKSUJKDBSA-N 269.388 3.653 30 20 CHED C=CCN[C@H](c1ccc(OCC)c(OCC)c1)C(C)C 539241841 PIRPKDQJRPPDDY-KRWDZBQOSA-N 277.408 3.957 30 20 CHED CCOCc1ccc(NCc2cc(C#N)cs2)cc1 355397169 DFNUAWVQLQYHCA-UHFFFAOYSA-N 272.373 3.768 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](CCC)C1 539390682 VKTYHFZBSQZENF-LSDHHAIUSA-N 266.429 3.953 30 20 CHED CC[C@H](C)CN(C)c1c(C#N)cnc2c(C)cccc12 610277933 MJMMYORXFPTTDH-LBPRGKRZSA-N 267.376 3.897 30 20 CHED C=CCN(C(=O)c1csc2ccccc12)[C@H](C)COC 617575731 DAWRBZCAVBYYSA-GFCCVEGCSA-N 289.400 3.564 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)n2)C1 617778341 DRKSKSARRSNXKK-LLVKDONJSA-N 298.308 3.529 30 20 CHED C=CCCCSc1nncn1[C@H](C)c1ccccc1 265344368 RWEQTOAWBCHNHF-CYBMUJFWSA-N 273.405 3.946 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1 449145651 AAVSQFBCTWKIMF-YESZJQIVSA-N 294.483 3.794 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cccc(Cl)c1Cl 537290679 NLVCUKWNMWYTQF-VIFPVBQESA-N 269.175 3.948 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](c1cccs1)C1CC1)OCC 533702356 DPLLODDIYMRLBH-CZUORRHYSA-N 293.432 3.687 30 20 CHED C=CC[C@H](C)N[C@@H]1CCCOc2cc3c(cc21)CCC3 358049772 RUHHBCAJNVUHPE-SUMWQHHRSA-N 271.404 3.943 30 20 CHED N#C[C@H]1CCC[C@H]1NCc1cccc(-c2ccncc2)c1 350359523 SISCSHMRYOJFDA-QZTJIDSGSA-N 277.371 3.530 30 20 CHED C=C[C@@H](S[C@@H]1CCCc2ccccc21)C(=O)OC 619689110 NQGBQYZWFZDUDR-ZIAGYGMSSA-N 262.374 3.525 30 20 CHED C=CCC1(NC(=O)c2ccc(C)cc2Cl)CCOCC1 618250688 KTSILWUPFSQNLD-UHFFFAOYSA-N 293.794 3.504 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCCCOC2CCCCC2)C1 442792674 OUVVYXFFUIXNHG-HZPDHXFCSA-N 278.440 3.788 30 20 CHED N#CCCN1CCCC[C@H]1CCCc1ccccc1 443639204 NMVBURYBMKUXFZ-KRWDZBQOSA-N 256.393 3.777 30 20 CHED C=CCC1(NCc2cccc(C(=O)O)c2)CCCCC1 263444004 XIYDYLNLUPGSCA-UHFFFAOYSA-N 273.376 3.753 30 20 CHED C=CCCCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 531366136 NHXZTYLUVUDSLZ-UHFFFAOYSA-N 297.383 3.977 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@@H](C)C(C)C)c1ccccc1 536085466 NHAPGTTYBJXSSE-GJZGRUSLSA-N 259.393 3.849 30 20 CHED C[C@@H](C[C@@H]1CCCO1)Nc1cccc(Cl)c1C#N 450301435 FYZSIJHSFCPVFZ-QWRGUYRKSA-N 264.756 3.581 30 20 CHED C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@](F)(C#N)C1 615647047 STAOMHMYBSCMST-ZANVPECISA-N 287.165 3.992 30 20 CHED C=CCC1(C(=O)NC2CCC(F)(F)CC2)CCCC1 450289380 BMBQCHKINULGEU-UHFFFAOYSA-N 271.351 3.817 30 20 CHED C=CCCS[C@@H](C)C(=O)N(CC)C1CCCCC1 610088884 LGMRILLRECXLQL-ZDUSSCGKSA-N 269.454 3.865 30 20 CHED C=C(CC)CNC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 455515672 BMDXRFNUTQOKEI-ZBFHGGJFSA-N 272.392 3.540 30 20 CHED C=C(C)CCNC(=O)Nc1c(F)cc(Cl)cc1F 455070174 XHVMKOCPYDLRHI-UHFFFAOYSA-N 274.698 3.706 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(CC#N)c1 452413591 DUZSTXHZTPGRNM-WBVHZDCISA-N 284.403 3.699 30 20 CHED CN(Cc1ccsc1)Cc1ccc(Cl)cc1C#N 614159442 DMAOHPQJZHCSQH-UHFFFAOYSA-N 276.792 3.905 30 20 CHED C=CCC1(NC(=O)c2cnn(CC(C)C)c2)CCCCC1 456359222 BXEJMDXJILJQMN-UHFFFAOYSA-N 289.423 3.548 30 20 CHED CC#CCCNC(=O)c1ccc(C(F)(F)F)cc1Cl 543605703 UHRNBEILSGRXGV-UHFFFAOYSA-N 289.684 3.502 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)NCC(C)(C)CC#N 459261597 SAKNKUYOIRITFK-HNNXBMFYSA-N 293.455 3.927 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC2CCN(CC#N)CC2)CC1 610958723 GYUJHHFBTQNVEO-JKSUJKDBSA-N 291.483 3.559 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 456842735 RISMTGCECFNLJF-ZFWWWQNUSA-N 288.366 3.530 30 20 CHED N#CCCN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 278836287 ZDMPANQIYSZGEV-GXTWGEPZSA-N 282.309 3.845 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(OC(F)F)cc2)no1 453094389 RTPVCPNNYUDNOC-UHFFFAOYSA-N 280.274 3.802 30 20 CHED C#CCCCC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 365449707 CZEQPLHNTAWGNG-HXUWFJFHSA-N 295.426 3.687 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCCc1c[nH]c2ccccc12 542855273 CCFXTKUTRNJNOA-OAHLLOKOSA-N 299.418 3.754 30 20 CHED C[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)C(C)(F)F 452641546 GJTLCSLNRZTMPL-QMMMGPOBSA-N 286.709 3.636 30 20 CHED C=CCCc1noc(-c2cc(SC)ccc2C)n1 453246907 LEQQPZZTLHJYIL-UHFFFAOYSA-N 260.362 3.886 30 20 CHED C=CCN(CCc1ccco1)Cc1cnc(C2CC2)s1 543704759 TWTRJXXKXOEBNT-UHFFFAOYSA-N 288.416 3.844 30 20 CHED C=CC1CCN(C(=O)NCC[C@@H](C)c2ccccc2)CC1 546671675 BLWIDOMLAWHDFS-OAHLLOKOSA-N 286.419 3.788 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2ccccc2C#N)CC[C@H]1C 459834900 LZELMUMXWOUYGL-AGIUHOORSA-N 256.349 3.569 30 20 CHED Cc1nc(-c2ccccc2NC(=O)CC(C)(C)C#N)cs1 362024768 JKJIOHSVPSSOIW-UHFFFAOYSA-N 299.399 3.997 30 20 CHED CC(C)(C#N)CC(=O)N1CCCc2cccc(Cl)c21 278723220 MKFYWDMQCFSGEW-UHFFFAOYSA-N 276.767 3.559 30 20 CHED C=C(C)CN(CC)C(=O)c1nc(-c2cccc(C)c2)[nH]c1C 270121143 JYHGEFQZWMIEBV-UHFFFAOYSA-N 297.402 3.732 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nnc(-c3cccs3)o2)C1 278564894 MZCQPJWUQWNXHC-BDAKNGLRSA-N 277.374 3.582 30 20 CHED C=CCCCc1nc(-c2ccccc2CN2CCCC2)no1 546938783 ALBMPSQIYOAMLZ-UHFFFAOYSA-N 297.402 3.841 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccccc1)C1CCC1 276146366 PCTDPEYJWNSKCO-MRXNPFEDSA-N 272.392 3.745 30 20 CHED C=C(C)COc1c(F)cc(F)cc1Br 544078341 PFCGDXDCHZHAOR-UHFFFAOYSA-N 263.081 3.682 30 20 CHED C=CCOc1cccc(CNc2cccc3c2OCO3)c1 542013103 MITAQEUETDOJEK-UHFFFAOYSA-N 283.327 3.592 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1CC 540486279 XUIGDTDERIICSP-MELADBBJSA-N 252.402 3.609 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C)sc1C 280718869 FKPLYGUDSKUXND-XPKDYRNWSA-N 279.449 3.997 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](c2cccc(F)c2)C1 375640316 OIELVCJPTZVMJO-HOCLYGCPSA-N 290.382 3.679 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)CC12CCCCC2 463039939 UOOXUPKDSXDBOO-OAHLLOKOSA-N 296.414 3.991 30 20 CHED N#CCCCN1CC[C@](F)(c2cccc(Cl)c2)C1 374624347 GUGCJPPZWQZWLK-CQSZACIVSA-N 266.747 3.514 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCN2CCC[C@H]2C1 377426651 OOZKPQGRZHVMHU-SJORKVTESA-N 294.483 3.870 30 20 CHED CCC[C@@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 371414831 MMRBFVBKUMEVMM-CQSZACIVSA-N 282.387 3.610 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC=C(C)CC1 460964623 VDUXDAOBIPNEKV-AWEZNQCLSA-N 274.412 3.524 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC2(CCC2)CC1 376819996 QZDGXMSWCKIWKC-UHFFFAOYSA-N 283.375 3.665 30 20 CHED C=CCCN(C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 467300508 DTUBDKWEGKNTBA-OAHLLOKOSA-N 296.414 3.525 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 558579822 ZVVNIQFBFKMCGZ-SDBXPKJASA-N 297.185 3.720 30 20 CHED C=CCCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 286213926 CQQNIHRGKQXDED-GDBMZVCRSA-N 257.377 3.952 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1c(C)cc(C)cc1O 285036871 HXLXSPOBXUDKNE-DAYGRLMNSA-N 289.419 3.641 30 20 CHED C=CC[C@H](CC)NC(=O)CCSc1ccc(OC)cc1 466533575 YHSMTVXXPMYOMT-ZDUSSCGKSA-N 293.432 3.648 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(F)cc(F)c1 280712034 DPXICLWGANCYPB-HSMVNMDESA-N 281.346 3.597 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2ccc(C)cn2)n1 556346978 DQXUBHFCYSJXNE-CMDGGOBGSA-N 269.348 3.797 30 20 CHED CC(C)CC(=O)Nc1ccc(NC[C@@H](C#N)CCC#N)cc1 554552253 OFJNTWLYYNYKAI-CQSZACIVSA-N 298.390 3.527 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@]1(C)C(C)C 476086305 VHUJQHDRCWITIV-PKOBYXMFSA-N 298.430 3.979 30 20 CHED C=CCOCCCN(Cc1ccco1)c1ccccc1 470789912 OMUIPHKJFQTVDW-UHFFFAOYSA-N 271.360 3.879 30 20 CHED C=CCCCCNC(=O)c1cc(-c2ccccc2)ns1 471702530 OVABQQLBHZAMKY-UHFFFAOYSA-N 286.400 3.896 30 20 CHED O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc[nH]1 637311753 XJIIHLOFTRFLEF-UHFFFAOYSA-N 292.363 3.728 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2C(F)F)cc1C 291319790 DODBAZKZTYKGBS-VOTSOKGWSA-N 290.313 3.871 30 20 CHED COc1ccc(N(CCC(C)C)C(=O)CCCC#N)cc1 292460185 WRIOZVYUWXIEKW-UHFFFAOYSA-N 288.391 3.768 30 20 CHED Cc1cc(C)c(C#N)c(SCC2CC(F)(F)C2)n1 295021810 UPZRFHLKNRZJID-UHFFFAOYSA-N 268.332 3.708 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1nc(Cl)c(C#N)s1 804558643 PHPMKKLULSUTAG-ZJUUUORDSA-N 299.827 3.674 30 20 CHED C=CCC(C)(C)c1noc([C@H](F)c2ccccc2)n1 556363588 YUPPFYPOJJIPOA-GFCCVEGCSA-N 260.312 3.982 30 20 CHED C=CC[C@H](C(=O)N(C)c1ncccc1C)c1ccccc1 471295087 GIIRHLJUALZXHE-INIZCTEOSA-N 280.371 3.713 30 20 CHED C=CC(C)(C)C(=O)N1CC=C(c2ccc(F)cc2)CC1 294350414 JDNMUXGFQUEUBW-UHFFFAOYSA-N 273.351 3.654 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccccc1Oc1ccncc1 802219236 UBAGVGMOFSKXPU-CYBMUJFWSA-N 296.326 3.723 30 20 CHED C#C[C@@H](Nc1ncc(Cl)cn1)c1ccc(Cl)cc1F 804807216 BGJZYVVOALSJKF-GFCCVEGCSA-N 296.132 3.709 30 20 CHED C=CCC[C@H](C)NCc1oc2ccccc2c1OC 474053307 CAIKDSHEFYGOKZ-LBPRGKRZSA-N 259.349 3.886 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 701316012 JUHFRUBMPJJBSW-NNTXTVRGSA-N 297.185 3.815 30 20 CHED Oc1nc2ccccc2cc1/C=N\C[C@H]1CCCSC1 806552075 PDJKWZUDGPESAG-HJPCULJESA-N 286.400 3.503 30 20 CHED CSc1ccc(OC(=O)/C=C\c2ccccc2C#N)cc1 800223732 CJLQDDIOSFNBKV-WDZFZDKYSA-N 295.363 3.899 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)Cc2nc(Cl)ccc21 806578403 RTBJCLICHOZHSG-RMKNXTFCSA-N 291.684 3.836 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2ccccc2n1 640522403 HRWVVIODSGHGCZ-UHFFFAOYSA-N 269.348 3.665 30 20 CHED C=CC[C@H](C(=O)OCCCCF)c1ccccc1 803448346 OTUXYPCSNLAITQ-AWEZNQCLSA-N 250.313 3.639 30 20 CHED Cc1ccc(CC(=O)Nc2ccc(CC#N)cc2)c(Cl)c1 474842938 WIVLXBFRGVZPRY-UHFFFAOYSA-N 298.773 3.896 30 20 CHED Cc1ccc(CSCCO[C@@H](C)C#N)c(Cl)c1 802751664 KQDDGMHXNXQMIA-NSHDSACASA-N 269.797 3.810 30 20 CHED C#CCCc1noc([C@@H]2CCC[C@H]3CCCC[C@H]32)n1 809396918 RJKHCOPNOGMFIK-MGPQQGTHSA-N 258.365 3.709 30 20 CHED Cc1nc2ccccc2cc1C(=O)N(CCC#N)CC(C)C 807323731 SZNFDGZWDZLBMW-UHFFFAOYSA-N 295.386 3.555 30 20 CHED C=C(Br)CN1Cc2ccccc2OC(C)(C)C1 808791118 JAHZMIVPZLSEFC-UHFFFAOYSA-N 296.208 3.568 30 20 CHED C=C(C/N=C\c1c(O)cccc1OC)c1ccccc1 806551974 ZORFRTXURYNMIL-PDGQHHTCSA-N 267.328 3.533 30 20 CHED CCN(C(=O)[C@H](C)C(C)(F)F)[C@H](C)c1ccc(C#N)cc1 294726237 VXZQXDURUPAKBP-NWDGAFQWSA-N 294.345 3.759 30 20 CHED CC(C)Oc1cccc(CN(C)[C@H]2CC[C@H](C#N)C2)c1 293728813 GKYOONTUSCVQES-HOCLYGCPSA-N 272.392 3.598 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1[nH]c(C)cc1C 472085567 MQIVRTMNSYXWMC-UHFFFAOYSA-N 274.408 3.840 30 20 CHED Fc1cccc(NN=C2CCc3cccnc3CC2)c1F 817325596 KNQUULUGUYVPFE-UHFFFAOYSA-N 287.313 3.707 30 20 CHED CCSc1cccc(NC(=O)c2ccc(C#N)s2)c1 487037982 LAJZDEDAVUFKRJ-UHFFFAOYSA-N 288.397 3.984 30 20 CHED C=CCN(Cc1noc(CCC)n1)CC1CCCCC1 484546672 YMWDVLKDFUWQOG-UHFFFAOYSA-N 277.412 3.590 30 20 CHED C#Cc1cccc(NC(=O)COc2cc(C)ccc2Cl)c1 819394341 ZCAWLXSFDWIFIU-UHFFFAOYSA-N 299.757 3.647 30 20 CHED C=CCCCCOC(=O)c1csc([C@H]2CCCO2)n1 811010148 LJDAIZBVBJQKLK-GFCCVEGCSA-N 281.377 3.508 30 20 CHED C1CCN([C@H]2CCCCC2=NOCCC2CC2)CC1 814247224 WZILNXLFTJFCPV-INIZCTEOSA-N 264.413 3.588 30 20 CHED CC(=NOC/C=C/Cl)[C@H]1CCN(Cc2ccccc2)C1 811669640 RPIGFXGHOCUSRC-NTZVBEGLSA-N 292.810 3.654 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 815979259 XVNPTIABVPGWCD-QMMMGPOBSA-N 276.229 3.780 30 20 CHED C=CCCCCOC(=O)[C@H](C)c1ccccc1F 811008486 GUIGLQJCNUNIIM-GFCCVEGCSA-N 250.313 3.829 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@](C)(c2ccccc2)C1 815608207 UQPZJNKBZZCLCP-INIZCTEOSA-N 293.357 3.778 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1OC 481186433 GBRWFJNZSVAKDV-GDBMZVCRSA-N 272.392 3.625 30 20 CHED CO[C@H]1C[C@H](c2ccccc2)CCC1=NOCC(C)C 814883906 GWKMUOHEGLKUHE-WBVHZDCISA-N 275.392 3.998 30 20 CHED CC#CCN(C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 571119177 FRVSSHXRLFETLQ-RYUDHWBXSA-N 296.197 3.579 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1C)c1ccco1 814833827 LMRISJOTTSQPSM-UHFFFAOYSA-N 273.292 3.722 30 20 CHED C=CCCC1(CNC(=O)CC(C)(C)CC(=O)O)CCCC1 656487407 TWSAUQJYTWVQDI-UHFFFAOYSA-N 295.423 3.520 30 20 CHED C=CCCC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1 573326918 WBHRDSJRBCDILF-UHFFFAOYSA-N 275.348 3.547 30 20 CHED C(=NOC1CCC1)c1cccc(OCc2ccccn2)c1 812238089 MURPBAKATCDONT-UHFFFAOYSA-N 282.343 3.564 30 20 CHED Fc1ccc(C=NOCC2CC2)c(C(F)(F)F)c1 814242102 SSTPWPQYMNOJIY-UHFFFAOYSA-N 261.218 3.605 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H]1C[C@H]1c1ccccc1 489795738 JXFMLXGRMZJIBO-HOTGVXAUSA-N 271.404 3.899 30 20 CHED Fc1ccc(CON=Cc2nc3c(s2)CCCC3)cc1 814903574 PMWDGDPMSIYISI-UHFFFAOYSA-N 290.363 3.712 30 20 CHED Fc1cc(C=NOC/C=C/Cl)ccc1OC(F)F 811668797 TYEUWXHFNIOWIH-UAAPSQMFSA-N 279.645 3.530 30 20 CHED C[C@H]1Cc2ccccc2N1Cc1ccc(OCC#N)cc1 729266685 CLPISFPHDJOONH-AWEZNQCLSA-N 278.355 3.540 30 20 CHED Oc1ccccc1/C=N/Cc1cccc(OCC(F)F)c1 726428409 ALSWRFLEZXCCGK-VXLYETTFSA-N 291.297 3.655 30 20 CHED N#Cc1cc(Cl)nc(NN=CCC2CCCCC2)c1 814891221 PXAKNQUJUFMYJW-UHFFFAOYSA-N 276.771 3.975 30 20 CHED CCC(=NN[C@H](C)c1ccccc1)c1cccc(N)c1 814814795 AHTDXCJWHCAJOZ-CYBMUJFWSA-N 267.376 3.734 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 577399612 NNJRFEONEZDRHV-NSHDSACASA-N 289.766 3.682 30 20 CHED C=CCCN[C@@H](C)[C@H](C)c1nc2ccccc2s1 658116965 PLAZMCXXNGZXSP-RYUDHWBXSA-N 260.406 3.954 30 20 CHED C=C(Br)COC(=O)c1ccc(C)c(Cl)c1 728673928 IFHZNODYNPVVTI-UHFFFAOYSA-N 289.556 3.714 30 20 CHED C=CCCOCC(=O)N[C@H](C)c1csc2ccccc12 729961702 QYUXHUVJNANRFE-GFCCVEGCSA-N 289.400 3.671 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(C(=O)CC)cc1F 820314779 WSFYERRBNNANED-UHFFFAOYSA-N 278.323 3.926 30 20 CHED C=CCC1(NCc2ccc3nc[nH]c3c2)CCCC1 657702890 PMFBMOBHRVNDCS-UHFFFAOYSA-N 255.365 3.541 30 20 CHED C[C@H](N=c1nc(C2CCCC2)[nH]s1)c1ccc(C#N)cc1 579822286 KAVFJNNVUHUITB-NSHDSACASA-N 298.415 3.662 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Nc1sccc1C#N 729918300 FKUUGKLXFADBMK-NSHDSACASA-N 285.372 3.845 30 20 CHED C=C(Br)CN1CC[C@@H](c2ccccc2C)C1 726071867 PVPPMOJRBMJHEF-CYBMUJFWSA-N 280.209 3.693 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(F)cc(F)c1OC 821869182 PMEHWKLOBYJWSA-UHFFFAOYSA-N 298.333 3.840 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ccc(F)cc1 588618430 RUSFAQZRMWRTIN-YFHOEESVSA-N 251.260 3.593 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(OC)cc1 495157703 OZSWPAYBPQEBJE-DZGCQCFKSA-N 288.391 3.506 30 20 CHED CC(=NNCCCc1ccccc1)c1cccc(F)c1 729148061 NPEFKBRQQXMYBX-UHFFFAOYSA-N 270.351 3.772 30 20 CHED N#CCCCOC(=O)c1ccc(Oc2ccccc2)c(N)c1 728638567 DENFHWDWTLKQBK-UHFFFAOYSA-N 296.326 3.522 30 20 CHED C=CC[C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1 664253269 LMVYUOYKGTYMKO-GFCCVEGCSA-N 271.339 3.561 30 20 CHED CC(C)CC[C@@H](Nc1cc(C#N)ncn1)C(C)(C)C 580811660 BCWWTKCWNKWMJO-CYBMUJFWSA-N 260.385 3.611 30 20 CHED COc1ccc2[nH]cc(C=NNc3cccc(C)c3)c2c1 730145239 YJMKYTTZBVWWKJ-UHFFFAOYSA-N 279.343 3.931 30 20 CHED COc1cccc(O)c1/C=N/CC1(c2cccc(F)c2)CC1 739427601 WAGJTWNENURHCY-RGVLZGJSSA-N 299.345 3.691 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1csc(C(=O)O)c1 730149509 XWTOWNABKWBXLJ-DUXPYHPUSA-N 294.278 3.621 30 20 CHED C[C@@H]1C[C@@H](C)N(Cc2cc(C#N)ccc2Br)C1 492768419 IYZCJGSQBUVIIQ-GHMZBOCLSA-N 293.208 3.551 30 20 CHED CCCN(Cc1ccccc1)Cc1cc(C#N)ccc1OC 384409465 UMYIKUMUOLMURN-UHFFFAOYSA-N 294.398 3.979 30 20 CHED COc1ccc(/C=C/C(=O)c2cncc(F)c2)c(Cl)c1 737446034 MFLNXNMOLNZBDD-HWKANZROSA-N 291.709 3.779 30 20 CHED C#CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 830321245 CJZWMTHYQUAOBW-UHFFFAOYSA-N 284.790 3.733 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(C)cc2OC)c1C 834420629 JGLSIABZFFXGBM-KTKRTIGZSA-N 298.386 3.733 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2c(F)cccc2Cl)C1 839043487 MGTLVBWYZGCDHN-WDEREUQCSA-N 295.741 3.647 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](CCC)CCCC)nc1 730305328 XNPQKUMDYGIMCT-AWEZNQCLSA-N 259.349 3.579 30 20 CHED C=C(C)COC(=O)[C@@H](CC)Sc1ccccc1 732497180 KYCVUDQABXLAEP-CYBMUJFWSA-N 250.363 3.677 30 20 CHED C#CC1CCN(C(=O)Nc2c(C)cc(C)cc2Cl)CC1 831077433 MLADTFRFJCXIIT-UHFFFAOYSA-N 290.794 3.834 30 20 CHED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)O 738397555 SJORKPHNMGXHIJ-UHFFFAOYSA-N 284.290 3.690 30 20 CHED CCON(Cc1ccccc1)Cc1ccc(OCC#N)cc1 832795520 HHAAOCHXTOIOAX-UHFFFAOYSA-N 296.370 3.543 30 20 CHED COc1cc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)sn1 901488108 DSZHEFICWAQWAL-QENILXLESA-N 297.379 3.852 30 20 CHED C=CCN(C(=O)c1cnc2cc(OC)ccc2c1)C(C)(C)C 906033742 GQFMBFOZKJWQLJ-UHFFFAOYSA-N 298.386 3.670 30 20 CHED CC[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730417541 OLIKGWFDOYSJEO-PSASIEDQSA-N 276.336 3.658 30 20 CHED Cc1nc(C)c(CNc2ccccc2SCCC#N)o1 905105356 ZIROWCQRHMNSSC-UHFFFAOYSA-N 287.388 3.909 30 20 CHED CC[C@@H](N[C@@H](C)Cc1ccncc1)c1cccc(C#N)c1 902831748 DOKGOZGDUKCQIA-KBXCAEBGSA-N 279.387 3.625 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2ncccc2SC)no1 904055694 JVIHSICWAFGMTM-JTQLQIEISA-N 275.377 3.608 30 20 CHED Cc1cc(N2CCS[C@H](c3ccccc3)C2)cc(C#N)n1 588005081 JAQBGEXVHMGVHC-KRWDZBQOSA-N 295.411 3.556 30 20 CHED Cc1ccc(F)c(/C=C2/Oc3cc(O)cc(C)c3C2=O)c1 734981188 OLLBIBFHXPXEHE-VIZOYTHASA-N 284.286 3.764 30 20 CHED C=CCC[C@H](NC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 834895122 ZINFXVDHJDXRLR-IPQPSQTFSA-N 284.447 3.909 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccccc1OC(F)(F)F 675933419 DNRWFCBQFOEVLE-ZJUUUORDSA-N 259.271 3.810 30 20 CHED CCC(CC)N(C(=O)CCCCCC#N)C1CC1 588875061 NVCXCPVOZPWRRM-UHFFFAOYSA-N 250.386 3.640 30 20 CHED C/C(=C/c1ccccc1OC(F)F)CNCC(C)(C)C#N 589511581 WGMQPDGYZPTIOF-WQLSENKSSA-N 294.345 3.831 30 20 CHED Cc1cccnc1NN=C1CCc2ccccc2CC1 834974947 SURXSRZIQJSCPR-UHFFFAOYSA-N 265.360 3.737 30 20 CHED COc1cc(C#N)ccc1NC(=O)C1[C@H]2CCCCCC[C@H]12 598827148 FVQXLZLTJGCLHN-KBPBESRZSA-N 298.386 3.722 30 20 CHED CCC(=NNc1c(C)cccc1Cl)[C@H]1CCOC1 835010900 KLADUTUXCUUUMX-NSHDSACASA-N 266.772 3.863 30 20 CHED C[C@H](OC(=O)C#CC(C)(C)C)c1ncc(C(C)(C)C)o1 838373153 XTXWHMYUIFMQPW-NSHDSACASA-N 277.364 3.626 30 20 CHED Oc1nc2ccccc2cc1/C=N\Cc1ccc(F)cc1 912774633 QJJSEEZZGYOCCA-ODLFYWEKSA-N 280.302 3.699 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1c[nH]nc1C(C)(C)C 918748862 ARSLPSXZCMFHRA-FPLPWBNLSA-N 298.386 3.920 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@@]1(C#N)CC1(C)C 599956025 UQPGBFQWPFJWDL-GOSISDBHSA-N 294.354 3.677 30 20 CHED CC(C)(C#N)CCN1CCCC[C@@H]1CC(=O)OC(C)(C)C 593094796 IANKKOZKKXVACV-CQSZACIVSA-N 294.439 3.513 30 20 CHED CCC[C@H](C(=O)N(C)[C@@H](C)CC#N)c1cccc(Cl)c1 599329794 RKHRLCWOOMHPIZ-WFASDCNBSA-N 292.810 3.984 30 20 CHED C=C(CNC(=O)Nc1ccccc1C)c1ccccc1 672597685 YBPZIHSXKLGPRV-UHFFFAOYSA-N 266.344 3.830 30 20 CHED C[C@@H]1CC(OC(=O)/C=C\c2ccccc2C#N)C[C@H](C)C1 744214812 MWLQOPZIGZRJGB-GXVPVZOKSA-N 283.371 3.939 30 20 CHED N#CC1(c2ccc(-c3ccc([N+](=O)[O-])nc3)s2)CCC1 596637768 ONJQHUAELHSBCT-UHFFFAOYSA-N 285.328 3.664 30 20 CHED CC(CCc1ccco1)=NNc1nncc2ccccc12 917024322 GHBNXFUDSKBLAY-UHFFFAOYSA-N 280.331 3.643 30 20 CHED CCOc1cccc(/C=N\C[C@H](C)CC(F)(F)F)c1O 840714186 YBRPGFQZQBLMEX-PQQLAPNWSA-N 289.297 3.798 30 20 CHED COc1ccc(O)c(/C=N/Cc2ccc(Cl)s2)c1 914558306 SNLFMALHKNVCBI-VIZOYTHASA-N 281.764 3.735 30 20 CHED CCc1cccc(C)c1NC(=O)NCc1ccc(C#N)cc1 916410280 YBAYQHVYFUBFEB-UHFFFAOYSA-N 293.370 3.751 30 20 CHED C=C(CC)CNC(=S)Nc1cccc(Cl)c1C 840826629 QPXBSRONARRCIZ-UHFFFAOYSA-N 268.813 3.901 30 20 CHED C=CCN(C(=S)Nc1ccccc1Cl)C(C)C 917589400 WASWUMIIWDQTMD-UHFFFAOYSA-N 268.813 3.933 30 20 CHED CCC[C@@H](C(=O)N1CC(C)(C#N)C1)c1ccc(Cl)cc1 597605606 XBRWCADIUSLBPK-CQSZACIVSA-N 290.794 3.596 30 20 CHED CCCOc1ccc(CN(C)CC(C)(C)C#N)c(C)c1 597135482 MBEIMKQLHXTWSG-UHFFFAOYSA-N 274.408 3.765 30 20 CHED Clc1cccnc1NN=C1CCCc2ccccc21 917549570 UHEWGJPNDFNOQG-UHFFFAOYSA-N 271.751 3.888 30 20 CHED CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCC1(CC#N)CC1 744276216 DIEXXFVVZQXAAN-ILXRZTDVSA-N 293.407 3.597 30 20 CHED Cc1cccc2c1CCCN2C(=O)[C@@]1(C#N)CC12CCCC2 590983049 PGRCMMJOJUCGSW-IBGZPJMESA-N 294.398 3.748 30 20 CHED CC(=NNc1ncccc1F)[C@@H]1C[C@H]2C=C[C@H]1CC2 842533079 KXFCFGNKGQLNGY-AVGNSLFASA-N 259.328 3.611 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1S[C@@H](C)CC#N 593454881 NODGVEJPFWVPLC-NWDGAFQWSA-N 287.388 3.569 30 20 CHED N#Cc1ccc(SCc2cc3n(n2)CCC3)c(Cl)c1 593423493 XQNUUSFIJNSQQP-UHFFFAOYSA-N 289.791 3.647 30 20 CHED C=CCN(C(=O)NCCC[C@@H]1CC1(Cl)Cl)C(C)C 845666870 AIOGEXSYZPODJM-LLVKDONJSA-N 293.238 3.566 30 20 CHED N#Cc1cc(Cl)c(C(=O)NCCCC2CC2)c(Cl)c1 594400410 CCBWQJPMKZWZHY-UHFFFAOYSA-N 297.185 3.785 30 20 CHED Cc1ccccc1C=NNc1cc(F)c(F)c(F)c1 747642845 VHNRPTZLNPWQHW-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C=C(C)CON=C(C)Cc1nc2ccccc2s1 844619370 ZHBFZXABHYSJFG-UHFFFAOYSA-N 260.362 3.807 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H](CO)[C@H]1C 840563535 MVWIRELHMZAULJ-HZPDHXFCSA-N 283.456 3.747 30 20 CHED Cc1cc(/C=C2\CCc3c(Cl)cccc3C2=O)nn1C 840718643 ALVHUJMMNKSLEK-PKNBQFBNSA-N 286.762 3.594 30 20 CHED C=C[C@@H](CC)CC(=O)NCCc1ccc(OC(F)F)cc1 929405262 SHDHKJDZXGRJHR-LBPRGKRZSA-N 297.345 3.549 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc(Cl)nc2)co1 752884219 DMCBDQVHALUROK-HYXAFXHYSA-N 276.723 3.743 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C/SCc1ccco1 851209477 LNHGSCCNMVQABP-WMADIVHISA-N 293.388 3.898 30 20 CHED C/C(=C\C(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1Cl 754390860 DGKUUAJFFHMVKN-MARXPDLDSA-N 290.794 3.798 30 20 CHED Cc1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc(Cl)n1 851206970 QOLOYGRFECDKAU-JTQLQIEISA-N 280.755 3.529 30 20 CHED Cc1noc(C(C)C)c1C(=O)O[C@H](C)CC(C)(C)C#N 851212279 IEVXVICVJOZZEV-SNVBAGLBSA-N 278.352 3.592 30 20 CHED CCCCCCCCNC(=O)c1ccc([S@@](C)=O)cc1 754854997 RDUBNCFEQVHVSO-HXUWFJFHSA-N 295.448 3.514 30 20 CHED FC(F)CON=Cc1c(Cl)cccc1Cl 758903592 IJWQCDRPONNWEP-UHFFFAOYSA-N 254.063 3.609 30 20 CHED C=CCCOCCN[C@H](C)c1cc(C)c(OC)cc1C 753689412 LUJFBBLKESXVMT-OAHLLOKOSA-N 277.408 3.555 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H](NC(C)C)C1 755077572 HBJVJNJICZDWJG-INIZCTEOSA-N 297.487 3.519 30 20 CHED C#CCCCCNC(=O)c1ccccc1Nc1ccccc1 758636285 AGMHTJUWOJUFCO-UHFFFAOYSA-N 292.382 3.964 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)Cc2cc(F)ccc21 755593919 PYRUAJJTGQSEHO-JYOAFUTRSA-N 274.241 3.926 30 20 CHED Fc1cccc(C=NOC/C=C/c2ccccc2)c1 852152841 CPNRYNFSYAYOMI-IQYUPHOZSA-N 255.292 3.890 30 20 CHED C[C@H](CC(=O)OCc1ccc(C#N)cc1F)c1ccco1 859817615 JKDRLFPODYHYAM-LLVKDONJSA-N 287.290 3.527 30 20 CHED C[C@@H](NN=Cc1cc(F)ccc1F)c1ccccc1 920382492 HGZJZINXCIIVCF-LLVKDONJSA-N 260.287 3.650 30 20 CHED CC(C)OCCON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853349028 QUMNBIRQWMPDGT-NWDGAFQWSA-N 281.318 3.783 30 20 CHED Fc1ccc(/C=C\C=NOCc2cccnc2)c(F)c1 758130401 WLLDQHBFTQLKFN-KDCSUQPCSA-N 274.270 3.576 30 20 CHED C=CCCC(CC)=NNc1ncnc2sccc12 750935199 OLKBEHQYQCZNOZ-UHFFFAOYSA-N 260.366 3.835 30 20 CHED C[C@H]1CCC[C@H](C(=O)OCc2ccc(F)c(C#N)c2)C1 758951476 POQVVHNBINKFSQ-AAEUAGOBSA-N 275.323 3.567 30 20 CHED CCCCCCCCNC(=O)N[C@H]1CCOC2(CCC2)C1 754865520 ONNINSXJJKHKFW-HNNXBMFYSA-N 296.455 3.748 30 20 CHED Cc1nc(CN2CCC(c3ccc(C#N)cc3)CC2)oc1C 933613191 RTLGLXVAJJUKIT-UHFFFAOYSA-N 295.386 3.543 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CCc3ccc(Cl)cc32)n1 858836067 ULFKADXCXRPZGV-AWEZNQCLSA-N 298.777 3.663 30 20 CHED Cc1ccc([C@H](C)/N=C\c2ccccc2O)cc1[N+](=O)[O-] 751890549 NZUNQAPCIBRQGD-NJPLLEPOSA-N 284.315 3.789 30 20 CHED CCCCCCCC(=O)NCc1nn(C)c2ccccc12 759318867 LARTVHQRJRGHAY-UHFFFAOYSA-N 287.407 3.550 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(SC(F)(F)F)o1 864413494 NNBCGTXHBUQSLG-UHFFFAOYSA-N 291.294 3.706 30 20 CHED C[C@@H](C=NNc1ccc(OC(F)F)cc1)CCC#N 766012937 LHXADWWHEXIHPT-SNVBAGLBSA-N 267.279 3.626 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1cc2c(s1)CCCC2 764432788 NBKDDKMMLNTRFJ-FPLPWBNLSA-N 286.400 3.863 30 20 CHED Cc1ccccc1C(=O)OCCCCC(C)(C)C#N 768371102 FOUUQZVOIJOHHB-UHFFFAOYSA-N 259.349 3.872 30 20 CHED CCC(C#N)(CC)C(=O)OCC[C@@]1(C)C[C@@]1(F)Cl 860839573 SHOGLMRTBJNAPE-AAEUAGOBSA-N 275.751 3.564 30 20 CHED Cc1csc(NC(=O)N(CC2CC2)C(C)C)c1C#N 931412955 MCPKMNPLMFODCE-UHFFFAOYSA-N 277.393 3.581 30 20 CHED CC[C@H]1C[C@@H](CC(=O)OCCCCC(C)(C)C#N)CCO1 768849485 GJGJHNMTVQWHMS-GJZGRUSLSA-N 295.423 3.845 30 20 CHED CC1(C)CCC(=NNc2ccnc(Br)c2)C1 769800925 ZRPOHOOTUGENHP-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CC#CCCCC(=O)Oc1cccc2ccccc12 767049623 DGIYCNNPSLEHQZ-UHFFFAOYSA-N 252.313 3.939 30 20 CHED CC(CC1CCC1)=NNc1ncnc2ccsc12 764833789 AXOHBFOPNOUNCZ-UHFFFAOYSA-N 260.366 3.669 30 20 CHED CO[C@@H](C)C(C)=NNc1cc(C)c2ccc(C)c(C)c2n1 763157424 UIJBMQLZURBBHR-AWEZNQCLSA-N 285.391 3.983 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](CC)c1ccc(C)cc1 1117651873 AWHACTLZQOHBKB-QGZVFWFLSA-N 284.403 3.501 30 20 CHED CC(C)c1nccnc1NN=Cc1cn(C)c2ccccc12 773077777 IXPSVVDCJBYHKD-UHFFFAOYSA-N 293.374 3.538 30 20 CHED COc1cccc(NN=C2CC(c3ccc(C)cc3)C2)n1 779818124 XQTGIXDWZMHACZ-UHFFFAOYSA-N 281.359 3.744 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2ccccc2c1 778063051 HLFKRBFJYXEUHF-UHFFFAOYSA-N 252.317 3.718 30 20 CHED C=CCC[C@@H](CC)N[C@H](C(=O)OC)c1cc(F)ccc1F 779178351 JIXMOZHWTCAVAZ-DOMZBBRYSA-N 297.345 3.513 30 20 CHED C=CCC1(c2nc(C(C)(C)c3ccncc3)no2)CCC1 871856742 XGXBPENUQAZIQS-UHFFFAOYSA-N 283.375 3.788 30 20 CHED C#CCCCCCC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 779850555 LKVVOZVZJRHIJJ-HRCADAONSA-N 261.409 3.513 30 20 CHED CCC(=NOC1CCOCC1)c1cccc(Cl)c1F 774460702 XXHIXQUVUJMHPP-UHFFFAOYSA-N 285.746 3.789 30 20 CHED C#CCCCCC(=O)OCC(=O)c1ccc2ccccc2c1 773636754 YACSTJHTOWILQH-UHFFFAOYSA-N 294.350 3.759 30 20 CHED C=CC[C@@H](C(=O)OCc1ccccc1C#N)c1ccccc1 778419188 WHNWTMWPKHRAKY-GOSISDBHSA-N 291.350 3.961 30 20 CHED C=CCCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C 771555509 HBTZBQOZTICUPQ-UHFFFAOYSA-N 297.402 3.575 30 20 CHED C#CCOc1ccccc1NC(=O)N(CC)[C@H](C)C(C)C 776089218 UNSSZDFJKDUPRA-CQSZACIVSA-N 288.391 3.597 30 20 CHED Cc1cc2occ(C(=O)OCC3(C#N)CC3)c2cc1C 770489690 KOINPNSWYSCXSV-UHFFFAOYSA-N 269.300 3.510 30 20 CHED Cc1ccc(F)c(CC(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 1126637745 NGAUWUHCJPXGOH-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED Cc1ccc(C(C)C)cc1OC(=O)c1c[nH]c(C#N)c1 779194578 WSSPZSLKYYMWQO-UHFFFAOYSA-N 268.316 3.537 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1cncc(F)c1 777787877 ZMCWOUMIDCFHPQ-GFCCVEGCSA-N 266.360 3.758 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(N(C)CCC#N)cc1 787309458 IVXXOKBTMUSXSN-QGZVFWFLSA-N 283.419 3.577 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1cc2ccccc2nc1O 786525115 SSUSBTBCMOPPMH-KRWDZBQOSA-N 285.343 3.700 30 20 CHED C[C@@H](N[C@H]1CCc2ccc(Cl)nc21)c1ccc(C#N)cc1 788563104 KZROAJATGZDLLB-ABAIWWIYSA-N 297.789 3.945 30 20 CHED C[C@H](Cc1cccc(F)c1)N[C@@H]1CCc2cc(C#N)ccc21 787028125 UBQYVFROTQBCCJ-BFUOFWGJSA-N 294.373 3.905 30 20 CHED Cc1cccnc1C=NNc1cc(C(F)(F)F)ccc1F 781596273 BDZXILDMMOJXOU-UHFFFAOYSA-N 297.255 3.994 30 20 CHED Cc1nc2cc(NC(=O)c3ccc(C#N)s3)ccc2s1 781202652 LLWPFKGTSLRRSF-UHFFFAOYSA-N 299.380 3.790 30 20 CHED CCC1(C=NNc2ccccc2Cl)CCOCC1 781114860 WMNUHMNYABJOCC-UHFFFAOYSA-N 266.772 3.945 30 20 CHED C=CCC[C@@H](C)Nc1cccc(CCCOC(C)=O)c1 783678385 SJSJFBVOUSWWAC-CQSZACIVSA-N 275.392 3.949 30 20 CHED Clc1ccsc1C=NNc1cnc2ccccc2n1 782222019 WURCKSGCZABQHE-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=C(C)CN(CC)Cc1cc(C)nc2ccccc12 505872455 NMJXBPQLPDCPIC-UHFFFAOYSA-N 254.377 3.941 30 20 CHED CCCCCCCC(=O)n1ccccc1=NC(C)C 890294734 VGHPTWUAPSPVGD-UHFFFAOYSA-N 262.397 3.798 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 899591324 YGKTWFCMKODZDB-OAHLLOKOSA-N 293.451 3.523 30 20 CHED Cc1cc(NC(=O)NCCC#N)ccc1-c1ccccc1 785949359 GPILWDYEHQOEGW-UHFFFAOYSA-N 279.343 3.697 30 20 CHED CC[C@H](CC#N)OC(=O)c1[nH]c2ccccc2c1Cl 787087596 VMZJFBJSMFNAOG-SECBINFHSA-N 276.723 3.670 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 1138967049 XULLHZQYLZHVHA-DOMZBBRYSA-N 297.402 3.897 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCCCSC 133485211 ZJCNCRHNXHXEIB-UHFFFAOYSA-N 277.433 3.735 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cc(C)ccc1F 796660467 VHFQTHPQODSLRC-UHFFFAOYSA-N 296.345 3.801 30 20 CHED CC1(C)CCCN(C(=O)c2cc(F)cc(Cl)c2)[C@H]1C#N 278105464 ZQQIEPKHRPFLON-ZDUSSCGKSA-N 294.757 3.633 30 20 CHED Cc1cccc(OCCCNc2ccc(C#N)cc2)c1 796468609 UZJKIJKBGWMOTJ-UHFFFAOYSA-N 266.344 3.748 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CCCCCCC1 797877918 GKJBHGPEPFYYFG-GDBMZVCRSA-N 251.414 3.670 30 20 CHED N#Cc1cc(C(=O)OCCCCC(F)(F)F)ccc1F 792324731 XVFPJVASKBIRKO-UHFFFAOYSA-N 289.228 3.587 30 20 CHED CC[C@@H](C)CON=Cc1c[nH]nc1-c1cccs1 793158415 FOAWPIYKGMJJBN-SNVBAGLBSA-N 263.366 3.535 30 20 CHED Cc1ccnc(NN=C2CSc3cc(C)ccc32)c1 797786167 JMNMXRXRFPBAPX-UHFFFAOYSA-N 269.373 3.620 30 20 CHED Cc1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1C#N 799338721 ZKOUWFATEALLDS-CKEIUWERSA-N 282.387 3.660 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2ccc(N3CCCCC3)cc2)C1 799715825 UVILGADGHDJLEO-ZWKOTPCHSA-N 297.446 3.501 30 20 CHED CCOc1ccc(OC(=O)/C=C\c2ccccc2C#N)cc1 799736282 LWWPASREYNPYHT-GHXNOFRVSA-N 293.322 3.576 30 20 CHED N#Cc1ccc(NN=C2CCC23CCC3)cc1Cl 799885061 YYLIPRQUCYCSNZ-UHFFFAOYSA-N 259.740 3.944 30 20 CHED Clc1ccc([C@H]2CCCC2=NNc2cncnc2)cc1 794976291 IEFAUTXAZAKVCP-CQSZACIVSA-N 286.766 3.866 30 20 CHED CC1(CNc2ccc(OC(F)(F)F)c(C#N)c2)CC1 799347001 NJLWZWRDZQBDTL-UHFFFAOYSA-N 270.254 3.669 30 20 CHED COc1ccsc1C(C)=NN[C@@H](C)C(C)(C)C 793115340 MEEBFLWOTHRZRU-JTQLQIEISA-N 254.399 3.505 30 20 CHED N#Cc1ccc(N2CCc3c(F)cccc3C2)cc1Cl 756958997 HGEGHJCNGKHVMY-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc(Cl)cc1 695858059 GVHRQFSPQRGACW-NSHDSACASA-N 250.773 3.758 30 20 CHED C#CCN(C(=O)c1oc2ccc(Cl)cc2c1C)C1CC1 763797142 SAXNJWOCZCIFIJ-UHFFFAOYSA-N 287.746 3.632 30 20 CHED COc1ccc(CNc2cccc(Cl)c2)cc1C#N 87822348 SUJZGQVYMDIIKS-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CC(C)(C)[C@H]1CN(c2ccnc(C#N)n2)c2ccccc21 1163185573 UFCVOUXFMCWXOW-ZDUSSCGKSA-N 278.359 3.630 30 20 CHED Cc1nc(C(=O)OCC[C@@H]2CCC[C@H](C)C2)ccc1C#N 1319074022 WCYIALCCKBJCLW-JSGCOSHPSA-N 286.375 3.635 30 20 CHED Cc1ccnc(NCC2(Cc3ccc(F)cc3)CC2)c1C#N 1161620530 ZULOBXVFLMFUFG-UHFFFAOYSA-N 295.361 3.836 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@H]2CC2(C)C)n1 1655119939 NJFPKGNLFHBFSR-GFCCVEGCSA-N 257.381 3.709 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2F)ccc1F 1324408930 MGGCYCCFCVKFAN-CLFYSBASSA-N 274.266 3.870 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)n1cccc1 1323162144 CNBHQACBDWAESA-OAHLLOKOSA-N 274.408 3.644 30 20 CHED CCc1ccc(-c2n[nH]c(S[C@@H]3CC[C@@H](C#N)C3)n2)cc1 1328002502 UVBPWYAYOSBWCK-TZMCWYRMSA-N 298.415 3.818 30 20 CHED Cn1cc(-c2ccc(C=NNc3ccc(F)cc3)cc2)cn1 1325010691 CWESKVIYJGUSFO-UHFFFAOYSA-N 294.333 3.672 30 20 CHED C=CCC1(CNC(=O)Nc2ccc(F)c(N)c2)CCCC1 1325638481 HMFNVBZBZAKADJ-UHFFFAOYSA-N 291.370 3.666 30 20 CHED CC[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H]1C 1650989830 RXFOCQLJTNPBSP-VHSXEESVSA-N 283.297 3.597 30 20 CHED COc1cccc([C@H](C)Sc2ccnc(C#N)c2)c1 1185726527 MZGXOHPZHPKQLY-NSHDSACASA-N 270.357 3.815 30 20 CHED C=C(C)CCC(=O)Nc1cc(-c2ccccc2C)nn1C 1337533817 BTRPAVSTDCRVDJ-UHFFFAOYSA-N 283.375 3.690 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C(=O)O)c1ccccc1Cl 1330544926 NVBDPBSHDXLAMW-TYNCELHUSA-N 291.778 3.649 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@@H](C(C)(C)C)C1 1339830786 VOSNHHRFLKMJCB-LLVKDONJSA-N 298.381 3.664 30 20 CHED Cc1cc(C#N)nc(Oc2cccc(-c3ccccn3)c2)n1 1187151097 HNTIQWRAFQMODX-UHFFFAOYSA-N 288.310 3.511 30 20 CHED C=C[C@@](C)(CC)c1nnc(Cn2c(C)nc3ccccc32)o1 1333091933 UFTZODPXNYEDAJ-KRWDZBQOSA-N 296.374 3.630 30 20 CHED O=C(CC#Cc1ccccc1)OCc1cccc(Cl)c1 1333024406 NUIQRKFPBPBREI-UHFFFAOYSA-N 284.742 3.825 30 20 CHED N#CCCCCCC(=O)Nc1cncc(C(F)(F)F)c1 1337809281 YUCSPLVVGOELPS-UHFFFAOYSA-N 285.269 3.513 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1cccc(C(C)=O)c1F 1349566465 AXAWBZDETJZVPZ-NSHDSACASA-N 264.296 3.536 30 20 CHED C=C(C)CCC(=O)N1Cc2ccccc2OC(C)(C)C1 1347078380 JGKMGXKJIAZFJX-UHFFFAOYSA-N 273.376 3.543 30 20 CHED C=CCN(CCC#N)CCc1ccc(OC(F)(F)F)cc1 1347538282 NHFHTUIYGVWVIU-UHFFFAOYSA-N 298.308 3.529 30 20 CHED Cc1scc(C(=O)Nc2cc(C#N)c(F)cc2F)c1C 1438612432 UVYGGNKDMDPEBD-UHFFFAOYSA-N 292.310 3.767 30 20 CHED Cc1cccc(C)c1C(=O)Nc1nc(Cl)c(C#N)s1 1436224385 XBEAUYCNUUHADF-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1C 1358365247 KQVVQYQXLADUPZ-PBHICJAKSA-N 284.403 3.955 30 20 CHED CCCc1cnc(NC(=O)[C@H](CC#N)c2ccccc2)s1 1520327687 SOLMAVKDCUOIHS-CQSZACIVSA-N 299.399 3.732 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)CCC(F)(F)F 1460851165 MTLHAJAJAWUDQF-UHFFFAOYSA-N 292.260 3.992 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCc1ccc(C#N)cc1F 226183012 PFJWZRFPDYWYEU-BFQNTYOBSA-N 260.356 3.612 30 20 CHED N#Cc1ccc(OCc2cccnc2C(F)(F)F)cc1F 1472990201 RCSIAICKTZZLSD-UHFFFAOYSA-N 296.223 3.690 30 20 CHED CCCCCCCC(=O)NCC1(O)CCCCCC1 114632764 BOCMYGRQEWYVLS-UHFFFAOYSA-N 269.429 3.548 30 20 CHED CC[C@@H](C)[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)OC 1621198536 IXNUULKAXIGVSR-RDTXWAMCSA-N 286.419 3.584 30 20 CHED COCc1ccc(Nc2nc(C#N)c(Cl)s2)cc1 1639852349 DWNZLYHLNLMSLD-UHFFFAOYSA-N 279.752 3.558 30 20 CHED C[C@H]1CC[C@@H](C)C[C@@H]1NCCc1ccc(C#N)cc1 1560927831 CCORTIDYWCYGFT-KEYYUXOJSA-N 256.393 3.515 30 20 CHED CCN(C(=O)c1cc2c(ccc3ccccc32)[nH]1)[C@@H](C)C#N 1641257179 IWVVFJTWHOHDOT-LBPRGKRZSA-N 291.354 3.695 30 20 CHED CC1(Nc2cccc(F)c2C#N)Cc2ccccc2C1 1655289557 BZLGKUHSXCILIF-UHFFFAOYSA-N 266.319 3.667 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@](C)(CC)OC 1659119834 RPKICDZSOSKDOL-QGZVFWFLSA-N 274.408 3.585 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)O 1588749103 FYMXRNUZVZDGLW-UFBFGSQYSA-N 288.174 3.673 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cc1C#N 1587283306 QKKAIIFBRIHHDP-IUODEOHRSA-N 276.767 3.832 30 20 CHED CCCOc1ccc(CN(C)[C@H](C)CC#N)cc1C 1663717846 RWIQFIGZQDKAID-CQSZACIVSA-N 260.381 3.518 30 20 CHED CC(C)(CCC#N)CNc1ccc2c(C(=O)O)c[nH]c2c1 1590655813 DPTVICOJIDZISS-UHFFFAOYSA-N 285.347 3.608 30 20 CHED CC(C)(CCNC(=O)Nc1ccc(C#N)c(F)c1)C1CC1 1672079629 AVCZTCMFJMQLOZ-UHFFFAOYSA-N 289.354 3.645 30 20 CHED O=C(O)c1cccc(NN=Cc2cccc(C3CC3)c2)c1 1776037415 GTBVAEIUHJAREH-UHFFFAOYSA-N 280.327 3.708 30 20 CHED C[C@@H]1Cc2ccccc2C(=O)/C1=C\c1cccc(C(=O)O)c1 1776665875 HLGGVRDPWJUUGA-ZSAINHDTSA-N 292.334 3.843 30 20 CHED COc1cccc(/C=N\[C@H](C)C2CCCCC2)c1O 166180114 LRQFKKAGKBWPAL-ZSAINHDTSA-N 261.365 3.789 30 20 CHED N#Cc1cn(CC2CCCC2)c2ccc(Cl)cc2c1=O 152825016 KENHWMIIUYJLBF-UHFFFAOYSA-N 286.762 3.717 30 20 CHED C=CCN(CC=C)C(=O)c1c(CC)oc2ccccc12 157577655 GQLMXCJMOSRZNV-UHFFFAOYSA-N 269.344 3.809 30 20 CHED CCc1ccc(CC(=O)N(CCC#N)CC(C)(C)C)cc1 155266274 XOUDBCCHIWSVNX-UHFFFAOYSA-N 286.419 3.580 30 20 CHED O=C1/C(=C/c2cnc(C3CCC3)s2)Cc2c(O)cccc21 157232305 JBASZIUPJXQOOD-YRNVUSSQSA-N 297.379 3.939 30 20 CHED CC#CCCSc1nnc(-c2ccc(C)cc2)n1CC 155314569 ZIGRCULHINFSFL-UHFFFAOYSA-N 285.416 3.779 30 20 CHED CCC(C)(C)[C@H]1CCCN1CCCSCC#N 156834538 AJUNPIGSRGRTHW-CYBMUJFWSA-N 254.443 3.534 30 20 CHED C#Cc1ccc(CN[C@@H]2CCc3cc(C)ccc32)cc1 809610176 OTRPLETZCTZMPO-LJQANCHMSA-N 261.368 3.753 30 20 CHED C=C[C@@H](C)N[C@H](C)Cc1ccc(Br)cc1 235489781 LYWKHRLHGIIQBF-GHMZBOCLSA-N 268.198 3.544 30 20 CHED Cc1ccnc(NCC(C)(C)c2cccs2)c1C#N 135086421 GAYMWSXHCBZBGU-UHFFFAOYSA-N 271.389 3.713 30 20 CHED CN(C)c1ccc(CNc2cc(Cl)ccc2C#N)cc1 36954232 KAGUCULNEIEFFW-UHFFFAOYSA-N 285.778 3.890 30 20 CHED COCc1ccccc1N[C@H](C)c1cccc(C#N)c1 37275107 SWSPVSAOQCPIAX-CYBMUJFWSA-N 266.344 3.878 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1-c1ccccc1 44809157 GNYCXHVWUOSUEE-ZDUSSCGKSA-N 264.328 3.842 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)cc2)cc1F 190312255 LSJUXMWAZBTYES-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1cc(C#N)cc(NCc2cccc(F)c2F)c1 308098787 BXRPYYWDHVEKSX-UHFFFAOYSA-N 258.271 3.757 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc(Cl)c2F)c1 308202308 QOPAADMDMUOWJS-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCC(C)(C)CNCc1ccc2cnccc2c1 311593498 AWZMMLSJWWRWSI-UHFFFAOYSA-N 254.377 3.927 30 20 CHED Cc1cc(Oc2ccnc(C#N)c2)c(C)c(C)c1C#N 312469251 RCUMNLDJESSIAQ-UHFFFAOYSA-N 263.300 3.543 30 20 CHED Cc1ccc(C(=O)Nc2cccc(CC#N)c2)c(Cl)c1 313450864 RBXLUDGXJNQZPR-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#CCCCC[S@@](=O)c1ccc(Cl)cc1Cl 323041332 ONPMEYYXYYMPDG-MRXNPFEDSA-N 276.188 3.795 30 20 CHED N#Cc1cc2ccccc2nc1NCCc1cccs1 83684608 WPQLEQJFBBAYJJ-UHFFFAOYSA-N 279.368 3.823 30 20 CHED C[C@H](CC#N)N(C)C(=O)C1(c2cccc(Cl)c2)CCC1 701191125 PBHBGCSCARWTSY-GFCCVEGCSA-N 290.794 3.522 30 20 CHED Cc1nc(N2CC3(CCCCC3)C2)c(Cl)cc1C#N 558952965 GVGUFUAYQYQJSZ-UHFFFAOYSA-N 275.783 3.686 30 20 CHED CC[C@H](CC(F)F)CN(C)Cc1cccc(C#N)c1 595289185 QCTNTTVPJTYVKU-GFCCVEGCSA-N 266.335 3.671 30 20 CHED C=C(C)CN(C)Cc1c(C(=O)O)sc2cccc(F)c12 382469770 AKCNBMSBNPRJCK-UHFFFAOYSA-N 293.363 3.747 30 20 CHED C=CCCCCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCN1 388509300 NCVRUOYAYMWWOX-BBWFWOEESA-N 264.457 3.633 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(OC)cc1OC 393806824 XDBRCCDZXGNBPS-CHWSQXEVSA-N 263.381 3.709 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cccc2ccccc12 52062868 RAUKOWIFBAOQAH-UHFFFAOYSA-N 280.371 3.786 30 20 CHED Cc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)s1 58465427 LYOMGYAWJCURGZ-VOTSOKGWSA-N 260.362 3.730 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)cc1Cl 116996486 VIUNKUZQTLPEIJ-SNVBAGLBSA-N 252.745 3.735 30 20 CHED C[C@H](CNC(=O)Nc1ccc(C#N)cc1)Cc1cccs1 174308444 DFGIPOAEPXNZSU-LBPRGKRZSA-N 299.399 3.620 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1 179411979 WISILWBOAJKSFI-WEVVVXLNSA-N 286.762 3.697 30 20 CHED C=C(C)COc1cccc(NC(=O)C2CC=CC2)c1 119769884 QGHLFXZEZBPQAB-UHFFFAOYSA-N 257.333 3.546 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@@H]2C2CCCC2)c1 56035290 AGECCBRWDYABSU-QGZVFWFLSA-N 282.387 3.547 30 20 CHED C=CCCCC(=O)N(C)Cc1nc2ccccc2s1 175129192 AOUDDFFBAKTCQC-UHFFFAOYSA-N 274.389 3.611 30 20 CHED N#Cc1ccsc1C(=O)N1CCC[C@@H]1C1CCCCC1 52031906 COECWEJDRZVZJJ-CQSZACIVSA-N 288.416 3.805 30 20 CHED N#Cc1csc(CNCCC2Cc3ccccc3C2)c1 119458403 LBFLZLGCHVSIDH-UHFFFAOYSA-N 282.412 3.514 30 20 CHED CCCCCCCCC(=O)NC[C@H](O)c1ccccc1C 303506537 NFPKHTWAWZHNAE-KRWDZBQOSA-N 291.435 3.895 30 20 CHED COc1ccccc1C(C)(C)NCc1ccc(C#N)cc1F 171672943 WVALDVSORCQNOU-UHFFFAOYSA-N 298.361 3.731 30 20 CHED C=CCCC(=O)Nc1cc(OC)ccc1OCCCC 60364988 CUURIKLOHSJCHS-UHFFFAOYSA-N 277.364 3.779 30 20 CHED C#CCCCNC(=O)Nc1ccccc1SC(C)C 178172005 IISSHZUKSKUGQF-UHFFFAOYSA-N 276.405 3.722 30 20 CHED N#Cc1cccc(CN[C@H](Cc2ccccc2)C2CC2)c1 172342957 SYKFUZJGOMJUHP-LJQANCHMSA-N 276.383 3.669 30 20 CHED CC/C=C(\C)C(=O)N[C@@H](CCC#N)c1ccccc1 178626740 NHMBSDPKWANJJT-NRUITVPNSA-N 256.349 3.504 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C 409664116 LCYIEVHNKFIZIS-TZMCWYRMSA-N 275.417 3.883 30 20 CHED Cn1ccnc1-c1cccc(NCC(C)(C)CCC#N)c1 119959416 GJCZSKMRURWNJQ-UHFFFAOYSA-N 282.391 3.829 30 20 CHED C=CCOCCCC(=O)N(CC)c1cc(C)cc(C)c1 173395238 BSTPMRIGLJWUKM-UHFFFAOYSA-N 275.392 3.639 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H](CC)c1ccc(C)cc1 119120668 MKPWFRRLVFFOII-GJZGRUSLSA-N 259.393 3.960 30 20 CHED CC[C@H](Nc1ccc(C#N)nn1)C(C)(C)c1ccccc1 301924314 GOEJDWCDXBCQQP-HNNXBMFYSA-N 280.375 3.517 30 20 CHED C=CCCCC(=O)Nc1cccc(SC(=O)N(C)C)c1 175652082 RZYQGBRMLFGIBC-UHFFFAOYSA-N 292.404 3.755 30 20 CHED CC(C)(CCC#N)CNCCCCOc1ccc(F)cc1 174264946 XIIBUHMYUMQNKR-UHFFFAOYSA-N 292.398 3.904 30 20 CHED N#Cc1nc(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)ccc1Cl 301746982 QNUPWBVSIAXVTC-OAUYIBNBSA-N 295.773 3.747 30 20 CHED CCOCc1cccc(NCc2cc(C#N)cs2)c1 128939445 WJKFVOJJKHFGCU-UHFFFAOYSA-N 272.373 3.768 30 20 CHED Cc1cc(Oc2cccc(F)c2C#N)nc(C(C)C)n1 301845308 MBIPDNYPTJCMNL-UHFFFAOYSA-N 271.295 3.712 30 20 CHED CCCCCCCC(=O)NC[C@@H](C)Oc1ccccc1 303617259 PDZRJCWWVLNXOR-OAHLLOKOSA-N 277.408 3.931 30 20 CHED C[C@@H]1CCC[C@H](/N=C/c2cc3ccccc3nc2O)C1 125339185 KRFLTBJTLWARPC-LEMBFTOYSA-N 268.360 3.938 30 20 CHED CC(C)Oc1cncc(N[C@@H](CCC#N)c2ccccc2)n1 127934812 IGWXWJPJKZPRLG-HNNXBMFYSA-N 296.374 3.721 30 20 CHED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 185813441 WQCPGUHCKLOJEI-XJKSGUPXSA-N 274.383 3.775 30 20 CHED CC(C)N(CCCN[C@@H](C)c1cccc(C#N)c1)C(C)C 181846791 MVQNAHKLQJIUAZ-INIZCTEOSA-N 287.451 3.718 30 20 CHED CCOC(=O)Nc1ccc(NCc2ccc(C#N)cc2)cc1 121920856 VPYJWZWWKACJME-UHFFFAOYSA-N 295.342 3.739 30 20 CHED Cc1nn(C)cc1/C=C1/C[C@@H](C)c2ccccc2C1=O 121367953 IABNWJDBWFATDN-NASPGAHYSA-N 266.344 3.502 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2ccccc2Cl)n1C 126986643 KULNLTCEVFKTGI-SECBINFHSA-N 292.795 3.530 30 20 CHED Cc1cc(C#N)cc(C)c1OC/C(Cl)=C\Cl 211279539 LEPUZTOVVDNSMA-VZUCSPMQSA-N 256.132 3.873 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 187117816 RHKMCZLHYCKBIU-SJORKVTESA-N 286.419 3.615 30 20 CHED C[C@H](N[C@H](C)c1ccccc1)c1cccc(C#N)c1 37185916 YJVGSOKUGMJXSW-KGLIPLIRSA-N 250.345 3.970 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ccccc1SC 410101446 UDIHGOAZGGVVSC-GFCCVEGCSA-N 278.421 3.687 30 20 CHED CC(C)Oc1ccc(CN2CCC(C#N)CC2)cc1Cl 187789248 ZVJCQCJTHPLXBI-UHFFFAOYSA-N 292.810 3.863 30 20 CHED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)c1cccs1 185831997 FCXMMLCMJKSULQ-OLZOCXBDSA-N 262.422 3.698 30 20 CHED CCCC[C@H](CCC)CNC(=O)N1CCC(C#N)CC1 128071380 JOESWWPQOGQARX-HNNXBMFYSA-N 279.428 3.538 30 20 CHED COc1ccc([N+](=O)[O-])cc1CSCC1(C#N)CCC1 419588533 TZSORJGVQRSULE-UHFFFAOYSA-N 292.360 3.530 30 20 CHED Cc1cccc(Sc2c(C#N)nnc3ccccc23)c1 77213338 IGKIDNVHNOPFQP-UHFFFAOYSA-N 277.352 3.961 30 20 CHED COCC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CCC1 313834794 DTTKCPOBFNLDQZ-UHFFFAOYSA-N 298.308 3.806 30 20 CHED COc1ccc(C(=O)/C=C\c2ccsc2)c(OC)c1 212531370 UIWDZLVZMHRBAK-UTCJRWHESA-N 274.341 3.661 30 20 CHED C=CC[C@@H](C(=O)NCc1cccc(OC)c1)c1ccccc1 186084555 QHKSHMPCWJUEFV-GOSISDBHSA-N 295.382 3.671 30 20 CHED COCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(C)(C)C 508996724 OLFXTXUXBVCSFF-XJKSGUPXSA-N 274.408 3.660 30 20 CHED CS[C@H]1CCCCN([C@@H](C)c2cccc(C#N)c2)C1 189965249 QPYCFJWFSODMTD-BBRMVZONSA-N 274.433 3.837 30 20 CHED Cc1cccc(Cl)c1C[S@@](=O)CCCCC#N 417171274 DQRZCSQAMGQHEX-KRWDZBQOSA-N 269.797 3.591 30 20 CHED CC#CCCCC(=O)OCc1cnc(-c2cccs2)o1 185857429 NZLUQOLBJFWMHB-UHFFFAOYSA-N 289.356 3.640 30 20 CHED COc1ccc(Sc2ccc(NC(=O)CC#N)cc2)cc1 185069027 HHEGGHWWMKAFSY-UHFFFAOYSA-N 298.367 3.699 30 20 CHED C=CCN(CCCSCC#N)CC1CCCCC1 74990755 UXZWRISDHRBUEG-UHFFFAOYSA-N 266.454 3.702 30 20 CHED CN(CCCSCC#N)[C@H]1CCC[C@H]1C(C)(C)C 419339377 ZZFMEZBHCGHZRC-KGLIPLIRSA-N 268.470 3.780 30 20 CHED C=CCC[C@@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 416348766 VSNYUVRRZRYDMK-MRXNPFEDSA-N 282.387 3.546 30 20 CHED CC1(C)CCC(C(=O)Nc2ccccc2C#N)CC1 159353637 SJUFJOSMGISSFT-UHFFFAOYSA-N 256.349 3.713 30 20 CHED COc1ccc([C@H](C)CCNc2ncc(C#N)cc2F)cc1 413155332 CBURVHIUOOCNLQ-GFCCVEGCSA-N 299.349 3.707 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cccc(F)c1F 182723278 ZQVJJKTYOGQGJZ-SNAWJCMRSA-N 295.266 3.831 30 20 CHED CC(C)(C#N)CC(=O)N1CCCc2ccc(Cl)c(F)c21 411090458 JFQAORKHQHWCCL-UHFFFAOYSA-N 294.757 3.698 30 20 CHED N#CCC[C@H](NCc1cc(C#N)cs1)c1ccccc1 130508886 HQVMLJKJQZWQGR-INIZCTEOSA-N 281.384 3.754 30 20 CHED C=CC[C@@H](C(=O)N[C@H]1CC=CCC1)c1ccccc1 188133760 PVLQGAAGSGRPMN-JKSUJKDBSA-N 255.361 3.571 30 20 CHED N#CCc1ccc(C(=O)N[C@@H]2CCCCC23CCCC3)cc1 329640495 XDRYVISNQJLVHE-QGZVFWFLSA-N 296.414 3.985 30 20 CHED OC(=Nc1cnc(-c2ccccc2)nc1)C1CCSCC1 329432965 KSLUNFFRBSTSLK-UHFFFAOYSA-N 299.399 3.875 30 20 CHED COC(=O)c1ccc(F)c(CSCC2(C#N)CCC2)c1 419467474 YCWAIVOSDCZXJB-UHFFFAOYSA-N 293.363 3.539 30 20 CHED C=CCCCN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 134028448 KDOAAGUEWYFVFD-CABCVRRESA-N 296.455 3.578 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc3c(c2)CCO3)n1 508631025 HSRLPTXWZXAXHT-YVMONPNESA-N 282.343 3.684 30 20 CHED CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 80842318 OOKZSIGUBNYCHV-ZWKOTPCHSA-N 290.366 3.863 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2ccccc2F)cc1 49900981 BSRQALMSHDGHCE-KRWDZBQOSA-N 296.345 3.725 30 20 CHED O/C(=N/[C@H]1CCCCC12CCCC2)c1nccn2ccnc12 329204530 YYMJZCUCXORJOM-ZDUSSCGKSA-N 298.390 3.537 30 20 CHED CC(C)[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 49130933 LHBWJVGAHXFNSH-CQSZACIVSA-N 291.782 3.864 30 20 CHED Cc1cc(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c(C#N)cn1 425224112 CULJCEAFCJWZND-HIFRSBDPSA-N 295.361 3.783 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OC2CCC2)cc1Cl 135047322 XLHMBVUUNKVMLK-NSHDSACASA-N 293.794 3.966 30 20 CHED Cc1ccccc1OCCN(C)Cc1cccc(C#N)c1F 512449693 KEIZBBZWZTYROO-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C=CCCOCC(=O)N(CC=C)Cc1ccc(Cl)s1 138313119 GUKZNMFHEJKUMP-UHFFFAOYSA-N 299.823 3.509 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(C#N)c1C 512832764 IWKXQOKNFGRVKV-SUMWQHHRSA-N 284.403 3.908 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](C)CC 512727319 FYDBJHAPELCTON-VXGBXAGGSA-N 289.379 3.513 30 20 CHED O/C(CCc1cnccn1)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329955155 KMMJYDRNAXEWSK-SOUVJXGZSA-N 287.407 3.725 30 20 CHED N#CC1(F)CCN(CCOc2ccc3ccccc3c2)CC1 510886935 GLAWCZKJOOOFEY-UHFFFAOYSA-N 298.361 3.546 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ncccc2SC)no1 424353926 GRDRBWZIRDEAOV-UHFFFAOYSA-N 275.377 3.707 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccccc1C 511891054 NXSWPYGVYIFMCT-AWEZNQCLSA-N 277.433 3.900 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 131347519 GDAFINMCASMHSC-PVAVHDDUSA-N 299.418 3.909 30 20 CHED C[C@@H](Cc1cccs1)N(C)CCCC(C)(C)C#N 80834764 YIWPYQLHBMUEQR-ZDUSSCGKSA-N 264.438 3.941 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(c3ccccc3F)CC2)C1 518571970 RIQWLDACCJCCHT-ZFWWWQNUSA-N 272.367 3.697 30 20 CHED N#Cc1ccccc1CNc1ccc(Cl)c(F)c1 42350613 JMNHGDOXNSYNFR-UHFFFAOYSA-N 260.699 3.963 30 20 CHED COc1ccccc1C[C@@H](C)N(C)c1ccc(C#N)cc1 88203027 FSKLXNJXNJHYQY-CQSZACIVSA-N 280.371 3.634 30 20 CHED N#CC1(F)CCN(CCOc2cccc3ccccc23)CC1 510903422 QKGTUNCWPAYKGY-UHFFFAOYSA-N 298.361 3.546 30 20 CHED N#CCN(C(=O)c1cccc(-c2ccoc2)c1)C1CCCC1 89812887 FMQGVQUNANLOJE-UHFFFAOYSA-N 294.354 3.855 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cccc3c2CCCC3)n1 519583195 LDXQZWAXXVHUMR-HNNXBMFYSA-N 296.395 3.820 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 192618313 BVIHCZUTZYAKST-XEZPLFJOSA-N 280.371 3.638 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H](C)C2(CCC2)C1 338125255 NVFBDQOCVZUVBQ-ZDUSSCGKSA-N 282.387 3.519 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nccc2ccccc12 424321156 GUARZRAPYMGRPW-KCQAQPDRSA-N 265.360 3.578 30 20 CHED CC[C@@H](N[C@H](C)c1ccncc1F)c1ccc(C#N)cc1 338018965 NSQAJZMFUSNLJR-SJKOYZFVSA-N 283.350 3.894 30 20 CHED CCN(Cc1cc(C)ccc1OC(F)F)C[C@@H](C)C#N 91984032 RTLMMTNTSPEDOM-LBPRGKRZSA-N 282.334 3.578 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCCc2sccc21 337805226 JMRSISKCOXRTLT-HNNXBMFYSA-N 296.395 3.736 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C 425607518 NQJCRYFLCUKZHX-SMDDNHRTSA-N 284.359 3.526 30 20 CHED CCN(CC#N)CC1=Cc2cc(Cl)cc(Cl)c2OC1 92398729 WUVIKPQUWIFJFY-UHFFFAOYSA-N 297.185 3.615 30 20 CHED C=CCN(C)C(=O)NC1CCC(C(C)(C)CC)CC1 429837447 FLUBDOLMALRBQI-UHFFFAOYSA-N 266.429 3.809 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2cccc(Cl)c2C1 424884133 BQYUTGDZFYCTOK-UHFFFAOYSA-N 277.795 3.827 30 20 CHED N#Cc1ccc(F)c(CN(C2CCC2)C2CCC2)c1 292282477 BWHWZDHXZSVOPT-UHFFFAOYSA-N 258.340 3.604 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 335965786 FQIIVMNOMIXNKI-CQSZACIVSA-N 290.794 3.943 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)C1(C#N)CCCCC1 510544170 HVWDDMMUKXIRRY-HUUCEWRRSA-N 276.424 3.793 30 20 CHED CC(C)c1nc(/C(O)=N/CCOC2CCCCC2)cs1 330456431 XQFMBVRPVKFNMZ-UHFFFAOYSA-N 296.436 3.920 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(C#N)s1 519838095 IUEGSZNNWLTZQK-NWDGAFQWSA-N 290.432 3.907 30 20 CHED Cc1ccnc(CSc2ccc(C#N)cc2Cl)n1 334341074 ILZKGBZGGJQBOZ-UHFFFAOYSA-N 275.764 3.602 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc2[nH]ccc2c1 338166827 WJBZGPBYQXAFRR-UHFFFAOYSA-N 275.311 3.600 30 20 CHED CCCOc1cccc(NC(=O)c2cccc(C#N)c2C)c1 510479482 POPDSOMLLVXIRP-UHFFFAOYSA-N 294.354 3.908 30 20 CHED Cc1sc(NC(=O)C(C)(C)c2cccnc2)c(C#N)c1C 334474238 KOQIVPOIDNKQTM-UHFFFAOYSA-N 299.399 3.548 30 20 CHED C[C@@H](c1ccco1)N(Cc1cc(C#N)cs1)C1CC1 92484202 WDSRGRKNWXYHLL-NSHDSACASA-N 272.373 3.938 30 20 CHED CC(C)(C#N)CCCCOc1ccc(Cl)nc1 232520587 WTDBQKYDFACEJF-UHFFFAOYSA-N 252.745 3.834 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc(C3CCC3)cc2)C1 339363379 SXISGRAAAJOWHL-YOEHRIQHSA-N 254.377 3.736 30 20 CHED C[C@@]1(CNc2ncccc2C#N)C[C@H]1c1ccccc1 338737924 FOVSHPFTFFUAQN-RDJZCZTQSA-N 263.344 3.559 30 20 CHED Cc1cccc([C@@H]2CCCCN2C(=O)[C@H](C)C#N)c1C 336347819 SVCZISGUKJYYTM-CJNGLKHVSA-N 270.376 3.517 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2cccs2)cc1 98006592 QHJJXKQSCIFPAM-HJWRWDBZSA-N 271.341 3.603 30 20 CHED C=CCCCC(=O)NC(C)(C)c1ccc(CC)cc1 434242982 CQFNGPPSJVRDNS-UHFFFAOYSA-N 259.393 3.957 30 20 CHED Cc1csc(-c2cccc(NC(=O)[C@@]3(C#N)C[C@H]3C)c2)n1 335644423 NCIWDQXQTGDGMO-QLJPJBMISA-N 297.383 3.607 30 20 CHED CCC(C#N)(CC)c1nc([C@H]2CCCC[C@@H]2C)no1 528130907 JNQNCYLUFZWYBG-RYUDHWBXSA-N 261.369 3.945 30 20 CHED CCN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 349777366 OSWUTSKLLKACTQ-UHFFFAOYSA-N 277.755 3.618 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N(CC#N)C2CCCC2)CC1 245503045 CLFGLGUVSBTKDL-SHTZXODSSA-N 276.424 3.744 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2ccc(F)c(Cl)c2)no1 528227471 SVNZYWYMMYHMEX-AWEZNQCLSA-N 293.729 3.644 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(-n2cccn2)c1 248760145 DJBXLLXUYBXDQK-UXLLHSPISA-N 294.402 3.605 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1CCOc1ccccc1C#N 525328546 BCEAKTGXXQCGEK-WBVHZDCISA-N 286.419 3.838 30 20 CHED Cn1ccc2cccc(NCc3cccc(C#N)c3F)c21 349194778 ZZTHCSIZWDZXGA-UHFFFAOYSA-N 279.318 3.801 30 20 CHED C[C@H](C#N)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 345771390 GKCFZKYEIPCBKQ-RHSMWYFYSA-N 284.403 3.974 30 20 CHED CC(C)(C)Oc1ccccc1NCc1cccc(C#N)n1 602499948 WJGXMVRCSOAJSS-UHFFFAOYSA-N 281.359 3.743 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H]2CCCC[C@H]2C)C1 522647246 BLRCJYOIDMPMFS-AIANPOQGSA-N 276.424 3.791 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)co1 430604457 NGLNQPTWHFPFQH-NSHDSACASA-N 288.372 3.832 30 20 CHED C=C(C)[C@H](N[C@@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1 249160918 YVHVAIYHVWJOLG-LYRGGWFBSA-N 281.346 3.597 30 20 CHED CCC1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 437160140 OZQZOKCXUCRQIH-UHFFFAOYSA-N 294.345 3.782 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cc(F)cc(F)c1 348245810 QPSKIPRELJESLD-NSHDSACASA-N 266.335 3.945 30 20 CHED C=CCCNc1ccccc1C(=O)NCCc1ccccc1 525357941 KETFLMPRWKWJPY-UHFFFAOYSA-N 294.398 3.647 30 20 CHED CSCCCCCCNC(=O)Nc1cccc(C#N)c1 182369327 VQHHNKXDFYAPNA-UHFFFAOYSA-N 291.420 3.603 30 20 CHED C=CCC[C@@H](CC)NCc1noc(-c2ccccc2F)n1 435028283 HYPXLIFCGLOWPY-GFCCVEGCSA-N 289.354 3.710 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Cl)c(N)c1Cl 346190847 LDKXOZZQEMCLQL-UHFFFAOYSA-N 287.190 3.614 30 20 CHED N#CC1(CSc2nccn2-c2ccc(Cl)cc2)CC1 349157608 HMZABVHADHQYEO-UHFFFAOYSA-N 289.791 3.922 30 20 CHED Cc1nc(S[C@@H](C#N)CCc2ccccc2)[nH]c1C 601082336 GLQFNSZKTPUOME-CQSZACIVSA-N 271.389 3.644 30 20 CHED Cc1cccc(CCCNc2ccc(Cl)cc2C#N)n1 343255580 XWNCGVUZJFGFLQ-UHFFFAOYSA-N 285.778 3.960 30 20 CHED C=C(CNC(=O)c1cc([C@H](C)CC)no1)c1ccccc1 345702253 AIAACQNXCLDXHC-GFCCVEGCSA-N 284.359 3.631 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1ccccc1C#N)C2=O 254971683 BWTGVWBXPWAQGZ-GDNBJRDFSA-N 289.334 3.779 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCc2c(F)ccc(F)c21 348210113 BTLHKXQYKIZYQJ-AWEZNQCLSA-N 278.346 3.872 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)[C@H]1CC12CC2 527878924 FWYYHESUWLHNKO-XJKSGUPXSA-N 270.376 3.970 30 20 CHED CCCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 443970680 ROHQJCQRMGOQBY-UHFFFAOYSA-N 294.398 3.945 30 20 CHED CCN(C)C(=O)Nc1cccc(C#Cc2cccs2)c1 602619223 BYZBHHDTZMWZFY-UHFFFAOYSA-N 284.384 3.632 30 20 CHED C=C[C@@H]1OCC[C@H]1NC1CC(c2cccc(Cl)c2)C1 449523111 WQJVGKSYJHHPEC-GDVJOBBMSA-N 277.795 3.519 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 449145649 AAVSQFBCTWKIMF-GVDBMIGSSA-N 294.483 3.794 30 20 CHED CC(C)(C)c1ccc(CCNc2cccc(C#N)n2)cc1 609891780 OQPDQQPYMJSLOZ-UHFFFAOYSA-N 279.387 3.905 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(OC2CCCCC2)cc1 449874614 BRWWUZNPXGAGIU-SCLBCKFNSA-N 298.386 3.886 30 20 CHED C[C@@H](CN(C)C(=O)c1cc(C#N)cs1)C1CCCCC1 530038842 NKIMCSOITWJRLR-LBPRGKRZSA-N 290.432 3.908 30 20 CHED C=C(CC)CNCc1c[nH]nc1-c1cccc(Cl)c1 449732105 LBLRVUSGYHPUDQ-UHFFFAOYSA-N 275.783 3.786 30 20 CHED CCC[C@@H](C#N)NC(=O)CCC(C)(C)c1ccccc1 533581591 SUBWKSXETZSUBN-HNNXBMFYSA-N 272.392 3.553 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 449438518 PXHRFYRJAMSZSQ-ZFWWWQNUSA-N 272.392 3.808 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(CC(C)C)C(C)C 359245852 STLLPHIURYNJHT-UHFFFAOYSA-N 276.428 3.602 30 20 CHED CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NCc1cc(C#N)cs1 356319941 ZUIDAFSRCPLPQJ-DFBGVHRSSA-N 292.448 3.549 30 20 CHED C=C1CCN([C@H](C)c2nc(-c3ccccc3C)no2)CC1 266772841 WCIYSTAMEDVQJS-CQSZACIVSA-N 283.375 3.758 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(F)cc2OCC(F)F)C1 442825474 MVKGWFOMFNNWRM-KOLCDFICSA-N 284.281 3.574 30 20 CHED C=CCCC1(C(=O)Nc2cc(OC)c(OC)cc2C)CC1 353613940 YPCZAMVYWFIEBN-UHFFFAOYSA-N 289.375 3.697 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(C)cn1 352913335 GZKZSLGMEANJKN-UHFFFAOYSA-N 298.434 3.746 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2F)[C@H]1c1ccccc1 538148642 YGILBQWGUMIGMZ-SCLBCKFNSA-N 280.346 3.890 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618787811 OAZLDMJBIPJJAC-SJCJKPOMSA-N 284.403 3.734 30 20 CHED CCCc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)cc1 533876219 OTOOCUPWWNAAAA-KRWDZBQOSA-N 272.392 3.697 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N(C2CC2)C2(C#N)CCC2)C1(C)C 616175437 VOEPUQOZSCRWMH-GJZGRUSLSA-N 286.419 3.662 30 20 CHED CC[C@H](C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 356990650 WXKIKXOZEVJCJP-LBPRGKRZSA-N 295.342 3.730 30 20 CHED CC#CCCNC(=O)c1sc2ccc(C)cc2c1C 446276951 QVYVHHBCDCZOCI-UHFFFAOYSA-N 271.385 3.661 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2ccc(CC#N)cc2)cc1 611142668 OFQOKWGQHLLJOM-CQSZACIVSA-N 292.382 3.806 30 20 CHED C=CCCO[C@@H](C)C(=O)NC1CCC(CC)(CC)CC1 355826597 BTATXNBGIUZMKM-AWEZNQCLSA-N 281.440 3.833 30 20 CHED C[C@@H](CCC#N)CN1CCCCC[C@@H]1c1ccncc1 618887421 ZLEDPTCNAJKTGL-DOTOQJQBSA-N 271.408 3.939 30 20 CHED C=CCCCCCN(C)c1ccc(C#N)cc1[N+](=O)[O-] 610077318 QDAHRNVMPNQYCX-UHFFFAOYSA-N 273.336 3.649 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2cc(Cl)cc(Cl)c2)no1 453064925 PQQLMUAXIPRYBA-CPFSXVBKSA-N 294.141 3.845 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H]1CCSc2ccccc21 454237705 HNMHRLVGBDOJFH-CYBMUJFWSA-N 290.432 3.735 30 20 CHED C[C@H](N[C@H]1c2ccc(F)cc2O[C@H]1C)c1cccc(C#N)c1 367578137 UYCIAKAJWAVUQW-OAVHHTNSSA-N 296.345 3.870 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 455431632 VNKZBKXGNUALGC-WDEREUQCSA-N 298.308 3.727 30 20 CHED C=CC(C)(C)CNC(=O)c1c(C)cccc1Cl 456122163 YXFOPAUEBWXTGB-UHFFFAOYSA-N 251.757 3.590 30 20 CHED CCC(C)(C)OCC(=O)Nc1ccc(C(C)(C)C#N)cc1 457415976 DQGSEVUZGRQONU-UHFFFAOYSA-N 288.391 3.631 30 20 CHED N#CCCCN[C@H]1CCSc2ccc(Cl)cc21 273257520 MDPRSTIKXWWEDS-LBPRGKRZSA-N 266.797 3.770 30 20 CHED CC(C)[C@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CCO1 619748561 IQMIGIYYSPLJSG-GOEBONIOSA-N 292.810 3.505 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(C2CCC2)cc1 451172051 QKOSCBOHDBTAND-UHFFFAOYSA-N 257.377 3.783 30 20 CHED Cc1ccc([C@H]2COCCN2CCCCC(C)(C)C#N)o1 277825501 VWLGPRSTKJIVOU-OAHLLOKOSA-N 290.407 3.681 30 20 CHED CCCSCc1ccc(C#N)cc1Br 611496390 COPFTQFPSZHFKO-UHFFFAOYSA-N 270.195 3.964 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC2CCN(CC#N)CC2)CC1 610958720 GYUJHHFBTQNVEO-CVEARBPZSA-N 291.483 3.559 30 20 CHED C#CC[C@H](NC(=O)N(CCC)CC1CC1)c1ccccc1 270389396 XNGFGADVDVKUQH-KRWDZBQOSA-N 284.403 3.583 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)Nc1ccc(C#N)cc1 454166784 JVMDTLZZIYEZBM-HOTGVXAUSA-N 285.391 3.703 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccc(OC)cc1 271488871 OQRCBKZSZBYARB-HNNXBMFYSA-N 295.382 3.558 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](CC2CC2)C1 454815928 TWFUKJOLDGELAI-HIFRSBDPSA-N 264.413 3.563 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@@H](C)C1 549706526 RYTHODVLYACOQP-KBPBESRZSA-N 288.439 3.604 30 20 CHED C=CCN(C(=O)c1ccc(C)c(Cl)c1F)C1CC1 279710088 KKGALVRFOXFFMZ-UHFFFAOYSA-N 267.731 3.578 30 20 CHED C=C(C)[C@@H](CC(=O)NCC(C)(C)C1=CCCC1)OCC 457185900 RUOHUUDCLNABEI-OAHLLOKOSA-N 279.424 3.610 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)CCc2ccc(C#N)cc2)C1 456993140 GMPNCTZDSTYJFK-MPGHIAIKSA-N 298.430 3.822 30 20 CHED CCN(C(=O)Nc1cc(C)cc(C#N)c1)[C@H](C)C(C)C 456008347 SAZJRXWYKZSEPU-CYBMUJFWSA-N 273.380 3.765 30 20 CHED C=C[C@@H](C)NC(=O)N1CC[C@](C)(CCc2ccccc2)C1 464749744 FEWDCXDVCBBRNE-QAPCUYQASA-N 286.419 3.615 30 20 CHED N#CCCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 273078617 XCGZHTYDLGVHBE-NEPJUHHUSA-N 297.185 3.517 30 20 CHED C=CCC1(NCCc2scnc2C)CCCCC1 625934360 LDGHMEVZNXCFNK-UHFFFAOYSA-N 264.438 3.863 30 20 CHED C[C@H](C(=O)N1c2ccccc2C[C@H]1C)c1cccc(C#N)c1 463070572 OOPPKVCZUJGIRI-KGLIPLIRSA-N 290.366 3.640 30 20 CHED C=CCOc1cccc(CN[C@H]2C[C@@H]2Cc2ccccc2)c1 462762194 BBTDPAQUSADASQ-ICSRJNTNSA-N 293.410 3.972 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@H](C)c1ccccc1 543630327 NIGWAKQKWRFASA-ZDUSSCGKSA-N 293.370 3.792 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@@H](OC)C(CC)CC 467958220 JRXXIZDSBKORSA-ZBFHGGJFSA-N 269.429 3.546 30 20 CHED C=CC[C@H](C)N[C@@H](COC)c1cccc(C(F)(F)F)c1 540168984 JBGHNDZUTAYNBV-FZMZJTMJSA-N 287.325 3.947 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 285029250 IFAZFSCFISEDJI-KDOFPFPSSA-N 286.419 3.799 30 20 CHED C=C(C)C[C@H](C)C(=O)NCC1(OCCC)CCCCC1 466539055 KGQQJPMZODVTSH-HNNXBMFYSA-N 281.440 3.834 30 20 CHED Cc1cc2sc(NC(=O)CC(C)(C)C#N)nc2cc1F 281087596 CNBUERKUMILTPQ-UHFFFAOYSA-N 291.351 3.622 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)NCc1ccc(C#N)cc1 282415253 LJCUKDJKJJWOQY-CQSZACIVSA-N 299.418 3.668 30 20 CHED C=C1CCN(C(=O)c2c(-c3ccccc3)noc2CC)CC1 280582916 SEIAKUQTVKMDFC-UHFFFAOYSA-N 296.370 3.696 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1cccc2ccccc12 285421619 LBSJVHGVEQICIS-GOSISDBHSA-N 280.371 3.738 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2c(C)cc(C)cc2s1 284881732 FXKJMDOHELEPTN-HNNXBMFYSA-N 287.388 3.792 30 20 CHED C=C(C)CCc1noc(-c2ccccc2-c2nnc(C)o2)n1 285031511 GATGFPZPRFQKKE-UHFFFAOYSA-N 296.330 3.604 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(SC)ccc1C 285798078 LOBXKCPAOFIDIX-AWEZNQCLSA-N 262.378 3.595 30 20 CHED CCCC[C@@H](C)N(C)C(=O)NCC(C)(C)CCC#N 461518506 FQBYDROQINJFIP-CYBMUJFWSA-N 267.417 3.536 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(=C)CC1 558982706 CDEBBSXXBZEUCD-UHFFFAOYSA-N 294.402 3.678 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H]1C[C@@H]1C(F)F 553663386 MOCHSJQMQAJWHV-WPRPVWTQSA-N 276.208 3.643 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2ccncc2)C1 289036651 BEYUGJKTJNLSPX-KXBFYZLASA-N 291.398 3.894 30 20 CHED C=C1CCN(C(=O)[C@@H](C)CCc2cccc(F)c2)CC1 463879285 PCGYKPRKYCCENF-AWEZNQCLSA-N 275.367 3.573 30 20 CHED CC[C@](C)(C#N)c1nc(C(C)(C)c2ccccc2)no1 289034868 JPFZEPHQSOLJDU-MRXNPFEDSA-N 269.348 3.587 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)Oc1ccccc1 468002451 FUXGCGPCUAZTFU-QGZVFWFLSA-N 275.392 3.563 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1ccc(C(F)(F)F)nc1 285782622 KFCYIBPPQUGADS-LLVKDONJSA-N 299.292 3.898 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccncc2)cs1 636417329 YVAQFXMLSIXWBS-HNNXBMFYSA-N 287.388 3.746 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)c1ccc(OC(C)C)cc1 281110127 RLQUIFHNLHEDTQ-UHFFFAOYSA-N 298.342 3.524 30 20 CHED CCN(C(=O)c1c(C)coc1C)[C@H](C)c1ccc(C#N)cc1 284022583 RPEWXKHKKDAAJU-CYBMUJFWSA-N 296.370 3.991 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCC=C(C)C 479848385 BEMXSBJQHNFYIE-UHFFFAOYSA-N 264.413 3.731 30 20 CHED C=CCCCCNC(=O)N[C@@H](c1ccccc1)C1CC1 472830544 JRFPRSWPEZQAQV-INIZCTEOSA-N 272.392 3.793 30 20 CHED N#CCSCCCOC(=O)Cc1ccc2ccccc2c1 805365350 ZCYGVBLIMQBTND-UHFFFAOYSA-N 299.395 3.572 30 20 CHED N#CC[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 700845076 KGBPBCTXXFNOKO-LHRNQBEKSA-N 288.778 3.505 30 20 CHED CC[C@H]1CC[C@@H]1NCCSCc1ccccc1C#N 554349559 WJALDPJIANBZGH-BBRMVZONSA-N 274.433 3.570 30 20 CHED C#C[C@H](CC)NCc1cnc(-c2ccc(C)cc2)s1 809685569 BDABJNFKYOSQPH-CQSZACIVSA-N 270.401 3.620 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2sc(C)nc2c1 806402848 MXMUJTMETFYHQV-NSHDSACASA-N 287.388 3.528 30 20 CHED CCCOc1cccc2c(N(C)C[C@H](C)C#N)ccnc12 478310205 ZSDTXWYBCSBIRK-CYBMUJFWSA-N 283.375 3.619 30 20 CHED C=CCCN(C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 801948047 MXOFJEOICXMUEL-HNNXBMFYSA-N 296.455 3.532 30 20 CHED CC[C@H]1CC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 479623094 OKDDMRCMOMPVHB-CKEIUWERSA-N 284.403 3.747 30 20 CHED CCn1cc([C@@H](C)NCc2ccccc2C(C)(C)C#N)cn1 295918807 FFQLOLFVMSIISL-CQSZACIVSA-N 296.418 3.555 30 20 CHED C=CC(C)(C)c1nc(-c2cccnc2N2CCCCC2)no1 295909750 MCUVTAGRWRVUGW-UHFFFAOYSA-N 298.390 3.586 30 20 CHED Cc1ccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 565435952 GPADVYULNRCXBK-UHFFFAOYSA-N 291.354 3.678 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](C)CC1CCCC1 804837000 QFHUFBMGAMKKOH-INIZCTEOSA-N 283.415 3.865 30 20 CHED C=CCCCCNC(=O)N1CCc2ccccc2[C@H]1C 472839373 YYDBXMAZSIANEG-CQSZACIVSA-N 272.392 3.672 30 20 CHED C=CC[C@H]1N(C(=O)COc2ccccc2)CCCC1(C)C 470296557 DYLILHXQCOTZMB-MRXNPFEDSA-N 287.403 3.659 30 20 CHED C=CCN(C(=O)Cc1ccc(C(C)=O)cc1)c1ccccc1 643140078 VCNIYPLHQGCEBP-UHFFFAOYSA-N 293.366 3.651 30 20 CHED C#Cc1ccc(CN[C@@](C)(CC)c2nccs2)cc1 290306111 IJJBPNORDIORBB-INIZCTEOSA-N 270.401 3.539 30 20 CHED C#C[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1)C(C)(C)C 807882203 KXELAAIBRWVCKM-LBPRGKRZSA-N 299.748 3.596 30 20 CHED C=CCCCCCCN[C@@H]1CCCc2nn(C)cc21 806167646 CVIFEVSRGUJIRY-OAHLLOKOSA-N 261.413 3.524 30 20 CHED C[C@@H]1CC(N[C@H](C)c2ccc(C#N)cc2Cl)C[C@@H](C)O1 562427268 RLVNWRROJBLGAW-IJLUTSLNSA-N 292.810 3.818 30 20 CHED CCCCCN(CCCCC)C(=O)NCC1(C#N)CC1 568584630 HTLYMTFIJAYBFI-UHFFFAOYSA-N 279.428 3.682 30 20 CHED C=CCCC1(C(=O)NCC(F)(F)c2ccccc2)CC1 564377229 FRUHIJYYHPMHOL-UHFFFAOYSA-N 279.330 3.641 30 20 CHED C#CCCCNC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 806877272 RJBIUKHJJDBQAO-RDJZCZTQSA-N 284.403 3.583 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccccc1CCC 810095311 LTJVQJICJMARKL-UHFFFAOYSA-N 277.367 3.802 30 20 CHED CC[C@@H](N=c1ccc(C#N)c(C)[nH]1)c1cc(F)ccc1F 488062567 GWQAZNZDJIVFGW-OAHLLOKOSA-N 287.313 3.525 30 20 CHED C=CCCCCCn1cnc2c(sc3ncccc32)c1=O 641498298 MUSCMUYTOIVOGK-UHFFFAOYSA-N 299.399 3.753 30 20 CHED Fc1ccc(CON=C2Cc3[nH]c4ccccc4c3C2)cc1 814903389 HIFXZHDWIBADKT-UHFFFAOYSA-N 294.329 3.978 30 20 CHED N#Cc1c(F)cccc1COc1c(F)c(F)cc(F)c1F 488269139 VFMNRDDKLSQASC-UHFFFAOYSA-N 299.198 3.833 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 815765857 GECOZPPZGROUJW-QMTHXVAHSA-N 297.320 3.777 30 20 CHED C=CCN(Cc1cn2ccsc2n1)CC1CCCCC1 484545645 VUUQYESFLZNMFZ-UHFFFAOYSA-N 289.448 3.964 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CS[C@@H](C(C)C)C1 488591396 QGNXDGHXTBVHDK-SWLSCSKDSA-N 276.405 3.509 30 20 CHED Cc1ccc2ncc(C#N)c(N3CC[C@H](C)[C@@H]3C)c2c1 488113320 JCGWBYFMBKJKPM-STQMWFEESA-N 265.360 3.650 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C)CC)c1ccc(Cl)cc1 811949308 UOUGOQPRWDQAOZ-FZMZJTMJSA-N 263.768 3.567 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cccc(F)c2C#N)c1 811692172 CIQUWOLXPAIYCZ-SOFGYWHQSA-N 281.286 3.608 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1cnc(-c2ccccc2)cn1 487732363 PBMYDMUWFYHIHJ-MAUKXSAKSA-N 295.386 3.537 30 20 CHED O=C1/C(=C/c2ccc(O)c(F)c2)Oc2cccc(Cl)c21 811699480 RTZDULKTEXCIBM-QPEQYQDCSA-N 290.677 3.801 30 20 CHED CCOc1ccccc1[C@@H](CC)N=c1ccc(C#N)c(C)[nH]1 488067641 KGYQEQUNMCWSFT-MRXNPFEDSA-N 295.386 3.646 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(C3CCCCC3)CC2)C1 815018680 XVARWGFXPCLGOM-WMLDXEAASA-N 260.425 3.971 30 20 CHED C=CCC1(NC(=O)C[C@@H](C)c2ccncc2)CCCCC1 654021100 ULEQENNGUWWWEX-OAHLLOKOSA-N 286.419 3.970 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)CC1CCN(C)CC1 813419615 DOVJMONJIOUPQF-MRXNPFEDSA-N 296.499 3.831 30 20 CHED CCCCCCCn1nc(C(C)(C)C)ccc1=O 727268717 DEXUUUJRWUAWPA-UHFFFAOYSA-N 250.386 3.511 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H]1CCOc2cc(F)ccc21 820632256 HJDWAGXBLDDKRY-ZDUSSCGKSA-N 278.323 3.795 30 20 CHED C#Cc1cccc(N(C)C(=O)c2scnc2C(C)C)c1 823084197 PCBXKPFYIIEQOY-UHFFFAOYSA-N 284.384 3.524 30 20 CHED Cc1cccc2c1C/C(=C/c1csc([N+](=O)[O-])c1)C2=O 729150205 JCVZOVZURNZVNY-WZUFQYTHSA-N 285.324 3.787 30 20 CHED Cc1ccc(C=NOCC(=O)Nc2ccc(C)c(C)c2)cc1 824664705 ZJRQWFUTTHGRLS-UHFFFAOYSA-N 296.370 3.601 30 20 CHED CCC(CC)=NNC(=S)Nc1ccc(OC(C)C)cc1 727257731 ADDVKPQYCYDGRQ-UHFFFAOYSA-N 293.436 3.936 30 20 CHED Cc1ccc([C@@H](NC(=O)c2sccc2C#N)C2CC2)cc1 497987499 AXPATKLPXLCVMI-OAHLLOKOSA-N 296.395 3.809 30 20 CHED C#C[C@@H](NC(=O)N(CC)C1CCCCC1)c1ccccc1 820605646 OXTVHMLRFILZGM-QGZVFWFLSA-N 284.403 3.725 30 20 CHED CC(C)C#CC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 821805787 ILZFIHWLNRGXLH-XJKSGUPXSA-N 285.387 3.553 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)[C@H]1CCCc2ccccc21 820629423 CHUUEFWLNSUBHT-RDJZCZTQSA-N 284.403 3.507 30 20 CHED CCSc1ccc(C(=O)/C=C\c2cncn2CC)cc1 901486569 LWTFFALJMUMLLO-YFHOEESVSA-N 286.400 3.911 30 20 CHED C=CCCOc1cccc2cc(Br)cnc12 580736190 FRKNUZIDRPGALV-UHFFFAOYSA-N 278.149 3.952 30 20 CHED COc1ccc([C@@H](NCC(C)(C)C#N)C(C)C)cc1 903099928 CHFCSNFCBJUNOM-HNNXBMFYSA-N 260.381 3.532 30 20 CHED CC[C@H](C(=O)N(O)Cc1ccc(F)cc1)c1ccccc1 901379278 UAPJFWCVRGROFF-INIZCTEOSA-N 287.334 3.737 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H](C)c1ccc(Cl)cc1 498113892 IRITZLDXSZCJET-WDEREUQCSA-N 283.824 3.825 30 20 CHED N#CCc1ccc(NC(=O)[C@@]23CCC[C@H]2C3)c(Cl)c1 581124875 DJDBVWQHOTZDRD-XHDPSFHLSA-N 274.751 3.535 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cnn(C)c2Cl)cs1 834434630 OZPIFRMCCOALIZ-SNAWJCMRSA-N 295.795 3.550 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(Cl)nc(Cl)c2)C1 839444909 KXKPVHBGFOTNRC-WCBMZHEXSA-N 299.157 3.628 30 20 CHED N#CCOc1ccc(COC(=O)C=C2CCCCC2)cc1 733464943 ZLLMPZWIGJYXMZ-UHFFFAOYSA-N 285.343 3.523 30 20 CHED Cc1ccc(-c2cnc(NC(=O)C#CC3CC3)s2)c(C)c1 837537498 JTCQUKJIBJIDCZ-UHFFFAOYSA-N 296.395 3.779 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3ccncc3)C2)CCCC1 582616849 OEBYWNVAJHPQCJ-MRXNPFEDSA-N 284.403 3.534 30 20 CHED CCc1cnccc1C(C)=NN[C@@H]1CCc2c(F)cccc21 835020205 KCMIXHFUIFWBAR-GOSISDBHSA-N 297.377 3.784 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 834574776 SSIWWUCETZKKJF-SNVBAGLBSA-N 284.186 3.830 30 20 CHED C#CCOc1cccc(OC(=O)[C@@H](C)c2ccccc2F)c1 731327932 IHXNVUWHOFRFJP-ZDUSSCGKSA-N 298.313 3.547 30 20 CHED C#C[C@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(C)C 836785450 PFOFRARLDOCVBJ-FZMZJTMJSA-N 297.320 3.740 30 20 CHED C#CC[C@H](NC(=O)N1CC(C)(C)[C@H]1C(C)C)c1ccccc1 838530098 WAXVNANJIIKXJQ-DLBZAZTESA-N 298.430 3.827 30 20 CHED CC(C)(C)C#CC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 837521293 AXNPCZDTYLNPFP-FMQWLBJXSA-N 281.399 3.740 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(-c3ncco3)cc2F)C1 591026562 VBXMNVZZFGERSR-QGZVFWFLSA-N 299.349 3.606 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(COc2ccccc2)c1 917856862 ZUHUIIHPLQHPNI-UHFFFAOYSA-N 294.354 3.754 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](C)C1CC1 748328387 YKKYBWUMZSQDFB-GFCCVEGCSA-N 285.391 3.755 30 20 CHED C#CCN(C(=O)[C@@H]1CCCc2ccccc21)C1CCCCC1 743691275 RYBRDMHUONESPC-LJQANCHMSA-N 295.426 3.901 30 20 CHED CCCCCOc1ccc(C(=O)/C=C/c2ccnn2C)cc1 913617562 JQSZERUJCGZDEC-DHZHZOJOSA-N 298.386 3.885 30 20 CHED COc1cc2c(cc1/C=C\C(=O)c1ccccc1)O[C@H](C)C2 916545719 VJXBNVZKKUFLMB-LJTDUEICSA-N 294.350 3.915 30 20 CHED Cn1ccc2ccc(NC(=O)CC3(C#N)CCCCC3)cc21 596904488 IUHOMBARVUIYGP-UHFFFAOYSA-N 295.386 3.981 30 20 CHED Oc1cccc(C=Nc2cccc(OC(F)(F)F)c2)c1O 912782213 BSPLLSFFBIZCCT-UHFFFAOYSA-N 297.232 3.747 30 20 CHED Cc1c(C(=O)N(C2CC2)[C@H](C)C#N)oc2c(C)cccc12 598129893 MLNLUQRLYYTPIA-LLVKDONJSA-N 282.343 3.566 30 20 CHED C#CCN(C(=O)N[C@H]1CCCC[C@H]1CC)C1CCCCC1 744844691 SUTJRZHEAAAGQR-WBVHZDCISA-N 290.451 3.933 30 20 CHED CCCCCOc1ccc(C(=O)N(CC)[C@@H](C)C#N)cc1 598346853 PMEZPKRLOFJZQS-AWEZNQCLSA-N 288.391 3.630 30 20 CHED C[C@@H]1CC(=NNCCc2ccccc2F)C[C@H](C)C1 747765605 FEPPACDHNPLHOV-BETUJISGSA-N 262.372 3.770 30 20 CHED CCCCCCCn1nc(-c2cccs2)oc1=O 915794070 COPYYTXMSARMTA-UHFFFAOYSA-N 266.366 3.535 30 20 CHED N#Cc1ccc(/C=C2/Cc3c(F)ccc(F)c3C2=O)cc1 749582934 TVRXKURDSCMMQM-GHXNOFRVSA-N 281.261 3.659 30 20 CHED CCCC(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 845436539 DGZUHTQPYKVLFL-GFCCVEGCSA-N 283.375 3.576 30 20 CHED C[C@H](C#N)c1ccc(-c2cc(C(F)(F)F)nn2C)cc1 592989429 WPAQINOZRPPNIS-SECBINFHSA-N 279.265 3.733 30 20 CHED Cc1c(NC(=O)CC2(C#N)CCCCC2)cccc1N(C)C 597480937 PWNNUKYZNVTNAB-UHFFFAOYSA-N 299.418 3.864 30 20 CHED CCCCCCCC(=O)N1CCC([C@@H]2NCC2(C)C)CC1 842513705 QGFUPVQEEPKMNZ-KRWDZBQOSA-N 294.483 3.584 30 20 CHED CCN(C(=O)c1oc2c(C)ccc(C)c2c1C)[C@@H](C)C#N 598356528 QRTBVGVHYAOYCJ-LBPRGKRZSA-N 284.359 3.732 30 20 CHED CCOc1cccc(C(C)=NNc2ccc(C#N)cc2)c1 743531037 AZAONMKASZMLAW-UHFFFAOYSA-N 279.343 3.793 30 20 CHED C=CCN(C(=O)Nc1c(F)cccc1Cl)C(C)C 917021510 YNHMHRUGZRLABU-UHFFFAOYSA-N 270.735 3.907 30 20 CHED N#C[C@H](SC1CCC2(CC1)OCCO2)c1ccccc1 849941145 NMGZQRPODRLAPM-HNNXBMFYSA-N 289.400 3.670 30 20 CHED C=C[C@H](C)ONC(=O)N(C)[C@H](C)c1cccc(Cl)c1 845639859 SOOAUEYQZMYHFZ-WDEREUQCSA-N 282.771 3.549 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C1CC1)[C@H](C)C#N 598138088 QUDNQAIRUVRXDC-KFWWJZLASA-N 296.414 3.879 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)CCCC(C)(C)C)n1 598851563 DCVGKJVCBWWWQD-UHFFFAOYSA-N 273.380 3.725 30 20 CHED CCc1nc(SCC2(C#N)CCC2)c2ccccc2n1 594465293 DJYRWNIGOYSGNX-UHFFFAOYSA-N 283.400 3.978 30 20 CHED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@H]1C[C@@H]1C 591241398 CQGOIHWRFJXNEK-GNCDUGFZSA-N 254.377 3.570 30 20 CHED Cc1ccc(C(=O)/C=C/C2=Cc3ccccc3OC2)o1 749358956 XAHVLVWPSVKEJU-BQYQJAHWSA-N 266.296 3.803 30 20 CHED N#CC1(CSCc2cnc(Cl)s2)CCC1 842193108 FCQLHYUXVRKAAM-UHFFFAOYSA-N 258.799 3.724 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc(OCC)n1 680924315 XHGIAJSQYYWYPB-UHFFFAOYSA-N 291.395 3.690 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)s1 849243631 LWOZQXRVCLVOJQ-VOTSOKGWSA-N 272.373 3.564 30 20 CHED C#CCN(C(=O)C[C@H]1CCCC[C@@H]1C)C1CCCCC1 743689764 AKSJDGCAKVWIDU-JKSUJKDBSA-N 275.436 3.997 30 20 CHED CCOc1ccc(/C=C2\Oc3ccccc3C2=O)cc1 742437903 XHGLFGWJFCEQEM-WJDWOHSUSA-N 266.296 3.702 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@@H](C)CC(C)(C)C2)cc1 680159116 NENVMUAYGIIMMX-AWEZNQCLSA-N 287.403 3.760 30 20 CHED CC(C)CN(Cc1ccccn1)C(=O)CCCCCC#N 928738998 HSFZVIFJZXVHOI-UHFFFAOYSA-N 287.407 3.540 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCc2c(F)cc(F)cc21 684766111 FZDKCDHFJOIBEF-JECHBYEQSA-N 293.357 3.523 30 20 CHED C=CCCCC(=O)N(c1ccc(C#N)cc1)C1CCC1 857676606 SDLMYTYKINQROG-UHFFFAOYSA-N 268.360 3.800 30 20 CHED C#CCCCCNC(=O)[C@@H](CC)CC1CCCCC1 758627264 ZVKSWVDGTKZLOS-INIZCTEOSA-N 263.425 3.903 30 20 CHED CC(C)c1cccc(/C=C2\CCc3c(cnn3C)C2=O)c1 853003853 DHILKKLVGAOTAT-XNTDXEJSSA-N 280.371 3.756 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)c(O)c1 757471635 HYUVWLDEPFFNAQ-CLTKARDFSA-N 290.265 3.575 30 20 CHED CC(=NNc1ncccc1[N+](=O)[O-])c1cc2ccccc2o1 759202531 ZBTKMVHMCNZWRK-UHFFFAOYSA-N 296.286 3.572 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(F)cc2O)cc(C)c1O 757476290 PBRHKWWXCAFDEP-ZZXKWVIFSA-N 286.302 3.750 30 20 CHED Fc1ccc([C@H]2CCCC2=NOCC(F)F)cc1 758906555 JDHFZXWLGQXZGC-LLVKDONJSA-N 257.255 3.731 30 20 CHED C#CC(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1 754029284 JEHOOYRFHVBVRQ-SIIHOXLZSA-N 269.388 3.612 30 20 CHED CCC1(C)CCC(=NNc2ccc(C(=O)OC)cn2)CC1 758140689 UUCDBSKPTXNBDZ-UHFFFAOYSA-N 289.379 3.626 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1c(C)cc(C)cc1C 858405355 WPHBLSHPOYYBNC-UHFFFAOYSA-N 295.338 3.711 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)C(=O)c1ccc(F)cc1 759010793 LSQDIOJHOLDCNB-GFCCVEGCSA-N 290.334 3.709 30 20 CHED C#CCCCCc1nc(C2(c3cccc(F)c3)CC2)no1 858803404 CYIWNMLLOJJQDZ-UHFFFAOYSA-N 284.334 3.635 30 20 CHED N#Cc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1F 756266744 LGPZHNAXUSPDTA-ALCCZGGFSA-N 269.250 3.733 30 20 CHED Cc1noc(C)c1CON=Cc1ccccc1C(F)(F)F 852189032 TXVUKQRYVJYNID-UHFFFAOYSA-N 298.264 3.861 30 20 CHED COc1cccc(NN=C(C)c2cccc([N+](=O)[O-])c2C)c1 756823742 PMXCQJWZBVYCGB-UHFFFAOYSA-N 299.330 3.748 30 20 CHED CC[C@@H](N[C@@H](C)CCC#N)c1cc(F)ccc1OC 932475101 RZVCBFCHOVFWNA-SMDDNHRTSA-N 264.344 3.567 30 20 CHED C=C(C)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12 755990892 FYMWGMUKCJOTNV-GFCCVEGCSA-N 257.333 3.608 30 20 CHED C=CCCNC(=O)Nc1cccc(SC(F)(F)F)c1 861649531 JPCWRPITYCNIHT-UHFFFAOYSA-N 290.310 3.996 30 20 CHED COc1cccc(NN=Cc2cc(F)c(F)cc2F)c1 767764184 WRPUIQBVFGNSQQ-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C#CCCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 766284548 QCBHZSGPDZEPHI-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)Nc1sccc1C#N 931848205 VKOVVKWPPQYNMN-LBPRGKRZSA-N 277.393 3.662 30 20 CHED CCC(=NNc1ccc(Cl)nn1)c1cc(C)ccc1C 863066185 YUTKHJPWHAHUOY-UHFFFAOYSA-N 288.782 3.973 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H]2CCC[C@@H](C)C2)n1 768362755 PVVDUOJQKUFHRR-KOLCDFICSA-N 266.776 3.662 30 20 CHED C=CCCn1cc(/C=C\C(=O)c2cccc(C(C)C)c2)nn1 863195817 NCOLSNWKGUGYDA-KTKRTIGZSA-N 295.386 3.874 30 20 CHED CCCNN=Cc1cn(Cc2ccccc2)nc1C(C)(C)C 763354765 VAOQWMVMONHMCW-UHFFFAOYSA-N 298.434 3.562 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C1CC1)[C@@H](C)C(C)C 930620789 PFUKAHXPXCSHCP-ZDUSSCGKSA-N 270.376 3.516 30 20 CHED CON=Cc1sc(Nc2ccc(OC)cc2)nc1Cl 767488858 BJVXKMXYTPVJLA-UHFFFAOYSA-N 297.767 3.529 30 20 CHED CCc1sc(C(=O)Nc2ccc(C#N)cc2)cc1C 14908323 GYJYRHRNHGQOPR-UHFFFAOYSA-N 270.357 3.743 30 20 CHED Brc1cc(NN=C2CCCCC2)ccn1 769798196 DITZSSOKMJXPJX-UHFFFAOYSA-N 268.158 3.576 30 20 CHED COc1cc(F)ccc1NN=Cc1cc(F)c(F)cc1F 761886433 ZSEMSEKZSOUVNM-UHFFFAOYSA-N 298.239 3.698 30 20 CHED C=CCCC(C)(C)N[C@H]1CCc2cccnc2CC1 865634317 BCIJZBLWRFHHBW-HNNXBMFYSA-N 258.409 3.663 30 20 CHED COc1ccc(C=NNCc2ccc(Cl)cc2)cc1F 764716945 BIWBLCNNGJFEGT-UHFFFAOYSA-N 292.741 3.611 30 20 CHED Cc1nc(Nc2ccn(C3CCCCC3)n2)ccc1C#N 1117711289 VEHSWIMWFIMPGN-UHFFFAOYSA-N 281.363 3.707 30 20 CHED O=C(CC#Cc1ccccc1)N[C@H](c1ccccc1)C(F)F 1117888084 RFMPHZAKFNWZKZ-QGZVFWFLSA-N 299.320 3.551 30 20 CHED C=C[C@@H](COC)NC(=O)c1ccc(C(C)(C)C)c(Cl)c1 1117680191 VZJWRZBBGROPQA-LBPRGKRZSA-N 295.810 3.568 30 20 CHED Cc1ccc2[nH]c(C(=O)OCCC(C)(C)C#N)cc2c1C 776387655 YGFFBDFSQCKXFP-UHFFFAOYSA-N 284.359 3.881 30 20 CHED C=C(CC)COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 773496613 LNEVFFOTHRYHBF-MNOVXSKESA-N 264.287 3.865 30 20 CHED C[C@@H]1CC[C@@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)C1 776335411 ZTNFCPSZKAZVAB-LALPHHSUSA-N 257.333 3.599 30 20 CHED Cc1[nH]c2ccccc2c1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 774596049 HZVXFUPQWDQGTP-GDZNZVCISA-N 267.376 3.588 30 20 CHED CN(C(=O)CC(C)(C)C)c1ccc(C#N)c(Cl)c1 876166321 PYEACYWGDYLXIP-UHFFFAOYSA-N 264.756 3.611 30 20 CHED Cc1ccc(NC(=O)Cc2ccccc2CC#N)c(C)c1 776727164 BUGQCOSYQJSIFQ-UHFFFAOYSA-N 278.355 3.551 30 20 CHED Cc1ccc(C2=CCN(c3ncccc3C#N)CC2)cc1 16738707 OQZVSWQQUCGXIJ-UHFFFAOYSA-N 275.355 3.555 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2cccc(F)c2[C@@H]1C 879214250 YFEGOWQQXGQYNP-LBPRGKRZSA-N 275.367 3.874 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)C1CCCCC1 779820294 GGWLLFHOOFNBFM-UHFFFAOYSA-N 256.353 3.931 30 20 CHED C#CCCCCCC(=O)Nc1ccc2cnn(CC)c2c1 779883673 ZCAHWWRBNLEBAK-UHFFFAOYSA-N 283.375 3.578 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C\Sc1ccccc1 776365514 WAVGECWKJHOFKQ-FLIBITNWSA-N 275.373 3.775 30 20 CHED C=CC[C@@H](C(=O)Nc1ccnn1CC1CC1)c1ccccc1 777741921 ARTOXFNEKXNNPY-MRXNPFEDSA-N 295.386 3.592 30 20 CHED N#CC1(C(=O)OCc2cccc(F)c2Cl)CCCCC1 771934603 SWSQTROQFXZOGU-UHFFFAOYSA-N 295.741 3.996 30 20 CHED N#Cc1cc(/C=C/C(=O)c2cc(F)cc(F)c2)ccc1F 770571173 BTIOZOYCJCXALI-DUXPYHPUSA-N 287.240 3.872 30 20 CHED C=CCC[C@@H](C(=O)OCCOC(C)C)c1ccccc1 778559805 WAPLANIVLYIYFT-MRXNPFEDSA-N 276.376 3.705 30 20 CHED C=CC[C@H](C(=O)OCc1c(CC)noc1C)c1ccccc1 778428683 SRFQDMFXAYFHCR-HNNXBMFYSA-N 299.370 3.949 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cnccc1C 771549714 JDTMGBCOAMOZRZ-UHFFFAOYSA-N 253.349 3.843 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc([C@@H]2CCOC2)cc1 880129082 CNTSNYFDVIBXFK-CQSZACIVSA-N 273.376 3.731 30 20 CHED C=C(C)CCC(=O)N1CCC(c2ccc(OC)cc2)CC1 1120950550 YKYNFMCCLSLRNG-UHFFFAOYSA-N 287.403 3.758 30 20 CHED CCc1ccc(/C=C/C(=O)c2sccc2O)s1 773149019 JYHQWHQWYVSODD-AATRIKPKSA-N 264.371 3.974 30 20 CHED C=C(C)CCNc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882417537 XVSDVKGRPQORTN-LJQANCHMSA-N 292.326 3.990 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(C(=O)O)c2)c(C)s1 774118096 ZMKLQDFSVFIEIA-VOTSOKGWSA-N 286.352 3.959 30 20 CHED C=C(C)CCOC(=O)c1ccc(OC)c(C2CC2)c1 774117512 QXVKAKDJJLHMMZ-UHFFFAOYSA-N 260.333 3.696 30 20 CHED C=CCCNc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882594569 JZHTWUJEMFSDSA-GOSISDBHSA-N 278.299 3.600 30 20 CHED CCCCC(CC)=NNc1nnc(-c2ccccn2)s1 788025677 BFABSDOICOVEPC-UHFFFAOYSA-N 289.408 3.968 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccn(C2CCCC2)n1 785756600 BUCDXPDYOPSMRJ-MRXNPFEDSA-N 276.380 3.644 30 20 CHED Fc1ccc([C@H]2CCCC2=NOC[C@H]2CCOC2)cc1 788029161 CXFVDVMHNHAAFT-SWLSCSKDSA-N 277.339 3.502 30 20 CHED FC(F)(F)C(=NOCC[C@H]1CCCO1)c1ccccc1 787786949 ZRGRUNSWOXDKGO-GFCCVEGCSA-N 287.281 3.539 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc3c(c2)CCCO3)cn1 899350784 PZAIAMGMVMACPS-ALCCZGGFSA-N 296.370 3.685 30 20 CHED CO[C@H](C(C)=NOCc1ccccc1)c1ccccc1 782185956 GSDNDSCOWKBSIO-QGZVFWFLSA-N 269.344 3.967 30 20 CHED CC(=NNc1ncncc1Cl)c1ccc(C)cc1C 780283387 VASOALQLLLYRQX-UHFFFAOYSA-N 274.755 3.583 30 20 CHED Cc1cc(COC(=O)Cc2cccc(Cl)c2)ccc1C#N 783420005 AZQDIHLPTXQRDB-UHFFFAOYSA-N 299.757 3.806 30 20 CHED C[C@H](CCC#N)CNCC1(c2cccc(F)c2)CCC1 896833541 XPISRBFUOLBFME-CQSZACIVSA-N 274.383 3.777 30 20 CHED C[C@H]1CCC(=NNc2cc(C#N)cc(Cl)n2)[C@H](C)C1 783861999 BAMUFVCCJPPGPT-VHSXEESVSA-N 276.771 3.831 30 20 CHED CC(C)CC[C@@H]1CCCC1=NOC[C@H]1CCOC1 788034678 UCPNDNZUHBXQCV-KBPBESRZSA-N 253.386 3.632 30 20 CHED C=C1CCC(C(=O)Nc2cnn(CCCC)c2C)CC1 897100710 UNCFBPNXILHISO-UHFFFAOYSA-N 275.396 3.677 30 20 CHED CC(C)(C)n1cc(/C=C2/CCCc3ccccc3C2=O)nn1 790212289 SWQAFXZRJNINTB-KAMYIIQDSA-N 295.386 3.636 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCCc3ccc(F)cc32)o1 797215422 MYKAOTVZBWMXEK-AWEZNQCLSA-N 285.274 3.525 30 20 CHED C=CCCC(=O)COC(=O)c1cccc(C2CCC2)c1 798738518 MFNTVELHTFPSKH-UHFFFAOYSA-N 272.344 3.646 30 20 CHED CCCCCCCCCC(=O)N1CCCc2n[nH]cc21 790070722 MDFBBOYSOVNYBC-UHFFFAOYSA-N 277.412 3.830 30 20 CHED CC(C)CC(=NNc1nc2ccccn2n1)c1ccccc1 790199235 XFSDMFPUSWWDIC-UHFFFAOYSA-N 293.374 3.592 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2cc(C)cc(C#N)c2)C1 1206296595 CLPSMTZWFSVOLA-HIFRSBDPSA-N 285.391 3.957 30 20 CHED CCCCCCCCC(=O)OC[C@H]1CCO[C@H]1C 793421047 FLSWJXARYDXSIC-UONOGXRCSA-N 256.386 3.705 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)ccc1F 189906489 SIMHUWHWJVOYKT-UHFFFAOYSA-N 276.355 3.679 30 20 CHED C=CCNC(=S)Nc1cc(Cl)c(Cl)cc1F 798377552 WMJZZHQNEJYROR-UHFFFAOYSA-N 279.167 3.605 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(C(F)F)cc1 726531438 XVIATTMGYCRHNU-UHFFFAOYSA-N 280.318 3.636 30 20 CHED COc1cc(/C=C2\CCCC(C)(C)C2=O)ccc1C#N 799497611 WSBATYPUOSXMKN-UKTHLTGXSA-N 269.344 3.729 30 20 CHED CCc1cccc(NC(=O)NCc2ccc(C#N)c(F)c2)c1 1202891199 REGVSMAQRNYQLI-UHFFFAOYSA-N 297.333 3.581 30 20 CHED COCCCON=C1CCC(C)(c2ccccc2)CC1 795041705 HFUUDDIOLVJNJW-UHFFFAOYSA-N 275.392 3.927 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NOCCCOC 795056259 WUSXHTDJWNNHJS-UHFFFAOYSA-N 285.771 3.516 30 20 CHED C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C(C)(C)C1 80684187 CYVXLYKGTVJORP-SECBINFHSA-N 283.297 3.597 30 20 CHED CCCCCCCCCN[C@@H](C)c1nnc(C)o1 792288842 NMABBKNRBDDKPU-LBPRGKRZSA-N 253.390 3.779 30 20 CHED C=CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C 746660988 DFCCELAHRUBKHY-UHFFFAOYSA-N 268.744 3.645 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](C)CCCCC 798039323 GLLOAYFYLJOMGR-UXLLHSPISA-N 281.440 3.690 30 20 CHED N#Cc1ccc(N2CCCC3(CC3)C2)cc1Br 695083059 RHHUIICFMORKFT-UHFFFAOYSA-N 291.192 3.701 30 20 CHED Cc1noc(C)c1[C@@H](C)Nc1ccc(C#N)cc1Cl 92330863 HOYMXMOXNNELBJ-MRVPVSSYSA-N 275.739 3.990 30 20 CHED CC[C@H](C)Oc1cccc(N[C@@H]2CCC[C@H](C#N)C2)n1 1308911992 LXRGXARAPMSMQV-MELADBBJSA-N 273.380 3.753 30 20 CHED CCC1(CC)CN(c2ncncc2C#N)c2ccccc21 1162874393 VPKWITMWADLJPH-UHFFFAOYSA-N 278.359 3.558 30 20 CHED CC[C@H](C)Oc1cccc(NCc2ccc(C#N)cc2)n1 1308497802 RONQFKZBAQAAIP-ZDUSSCGKSA-N 281.359 3.743 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(CC2(CC#N)CC2)C1 1167465487 WWBWSVMGRSGLBO-HOTGVXAUSA-N 268.404 3.867 30 20 CHED N#Cc1c(F)cccc1N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 1162861330 FOUHEULTFWDITC-FSPWUOQZSA-N 278.330 3.838 30 20 CHED CC[C@H]1CN(CCC2(C#N)CCCCC2)C[C@@H](CC)O1 1171321221 NDOHKLFUBSULDO-IYBDPMFKSA-N 278.440 3.740 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NCc1cc(C#N)cs1 1178931058 KFPPJPSWAMDVCV-UONOGXRCSA-N 262.422 3.924 30 20 CHED CC(C)c1ccc(C2(C(=O)N[C@@H](C)CC#N)CCC2)cc1 1322751791 IESQVXUWYBUJKR-AWEZNQCLSA-N 284.403 3.650 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1cc(C(C)(C)C)n[nH]1 1320876668 ONQMESOLHWVQQL-UHFFFAOYSA-N 296.418 3.519 30 20 CHED CCOc1ccc2c(c1)CN([C@@H](C#N)c1ccccc1)CC2 1327511988 KTKBEGSZIRQYPL-IBGZPJMESA-N 292.382 3.708 30 20 CHED CC(C)C[C@@H](C)Cc1nnc(COc2ccc(C#N)cc2)o1 1322282952 DELNQMRZFOQYPS-CYBMUJFWSA-N 299.374 3.745 30 20 CHED CCCCCCCOC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1251196645 GSRRHPQGRMHFAQ-RCDYEMGKSA-N 294.435 3.831 30 20 CHED CSCc1ccccc1NC(=O)CC#Cc1ccccc1 1254769098 QCPYEKPFHUGPGN-UHFFFAOYSA-N 295.407 3.930 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)CC1 1332673407 GWERPDIFIDLQCQ-DLBZAZTESA-N 293.451 3.833 30 20 CHED Cc1c(Cl)cnc(NCC2CC(C)(C)C2)c1C#N 1186144350 KPMGMLQHBRYGRY-UHFFFAOYSA-N 263.772 3.763 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)Cc1ccn(C(C)C)n1 1346350428 JCLXIRFNXCUVBB-GOEBONIOSA-N 290.407 3.685 30 20 CHED CC[C@@H](Cc1ccccc1)Nc1cccc(CC#N)n1 1342844886 YWBLPVFHDOYSLN-HNNXBMFYSA-N 265.360 3.581 30 20 CHED C=C[C@@H](C(=O)N[C@@H]1CCCC(F)(F)C1)c1ccccc1 1349329931 KFRQRYHRIBBACT-ZIAGYGMSSA-N 279.330 3.650 30 20 CHED CCCCCCCNC(=O)CC#Cc1ccccc1 1261999579 VVNQIVZVZKSEAU-UHFFFAOYSA-N 257.377 3.515 30 20 CHED C=C(CC)C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 1345987199 UFWXGEWIRNRXNK-ZFWWWQNUSA-N 275.417 3.658 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 1349547680 YPMPTBHWHYVHOX-JTQLQIEISA-N 263.303 3.532 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1nc(C(C)(C)C)cs1 1349645893 CIWVVQYPOVXGES-NSHDSACASA-N 277.437 3.785 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)cs1 1355219186 UOEKKYKKOQKFLJ-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCn1c(C(=O)OCC(C)(C)CC#N)cc2ccccc21 1357639756 OYCVOYBGBYDUSX-UHFFFAOYSA-N 284.359 3.758 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2)c2c1CCC2 1351936661 GMRQKNBSXDZQKM-UHFFFAOYSA-N 276.339 3.608 30 20 CHED CCc1ccc(C(=O)[C@H](C#N)c2nccn2CC)cc1CC 1517045799 IKKMDSZDQQDBLQ-INIZCTEOSA-N 295.386 3.518 30 20 CHED CCC[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 1514731412 VVAKIHGDZMTSOA-MRXNPFEDSA-N 284.403 3.892 30 20 CHED CC1=C(C(=O)N(c2ccc(C#N)cc2)C2CCC2)CCC1 1529852287 IAKPPWKXVQFODK-UHFFFAOYSA-N 280.371 3.944 30 20 CHED CC(C)c1ccc(C[C@H](C)N=c2cc[nH]c(C#N)c2)cc1 1458262892 LFGRYUPYWGNKQL-AWEZNQCLSA-N 279.387 3.542 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)C1 1466772878 JMEGAVKGLZYSHE-RYUDHWBXSA-N 289.354 3.645 30 20 CHED N#Cc1c(CSCC2CC(F)(F)C2)cccc1C(=O)O 1601080342 JSECLMPKYYDTRN-UHFFFAOYSA-N 297.326 3.535 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1OCCC(C)C 1466952945 IOHSMMMPGILPBO-UHFFFAOYSA-N 296.798 3.986 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(F)c(C#N)c1 1537110992 DBXIWZJVNCCDOF-INIZCTEOSA-N 288.366 3.738 30 20 CHED Cc1ccc(F)c(CNc2ccc(OCC#N)cc2)c1 227288456 PYZGNIZCFQRMNH-UHFFFAOYSA-N 270.307 3.649 30 20 CHED CC[C@](C)(CN1CCC[C@H]1[C@H](C#N)c1ccccc1)OC 1474326823 MPOYAJKCXYITPN-FGTMMUONSA-N 286.419 3.573 30 20 CHED Cc1csc(NC(=O)N(C)[C@H]2CCC[C@H](C)C2)c1C#N 1476558955 NQZVEBAYRDNXBC-JQWIXIFHSA-N 291.420 3.971 30 20 CHED COc1cc(C#N)ccc1NC(=O)N[C@H](C)CC(C)(C)C 1476369941 KPHHJGBSEHYTEM-LLVKDONJSA-N 289.379 3.513 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2ccccc2O)cc1 1613527614 RIVOXYKYFRWPBE-CQSZACIVSA-N 269.369 3.928 30 20 CHED CC(C)CCOc1ccc(Br)c(C#N)c1 1559475641 SMCOFDWITATVEP-UHFFFAOYSA-N 268.154 3.746 30 20 CHED CCOc1ccc(Oc2nc(C#N)c(Cl)s2)cc1 1559050601 KTTQKLBFSSBOSE-UHFFFAOYSA-N 280.736 3.859 30 20 CHED CCOc1cccc(CCNc2cccc(F)c2C#N)c1 1642464275 HWUXUYKOGMTJDL-UHFFFAOYSA-N 284.334 3.751 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(Cl)o1 1584415459 UMMUKFFNJDWFIZ-SNVBAGLBSA-N 288.734 3.638 30 20 CHED N#Cc1ccc2c(c1)CCCN2CCc1ccccc1 1654575870 NNHFLPDQMVYDOB-UHFFFAOYSA-N 262.356 3.554 30 20 CHED C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cc(C#N)ccn2)C1 1658598119 VZCYJIJFFUTEQH-BEFAXECRSA-N 291.398 3.926 30 20 CHED C#CC[C@H](N[C@@H](C)c1cc(C(=O)O)cs1)c1ccccc1 1588421806 OKSPZWSCLFECRL-WFASDCNBSA-N 299.395 3.862 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)C1 1651153629 JANGUULNYHQCJO-VIFPVBQESA-N 283.828 3.931 30 20 CHED CC[C@@H](NN=C1CCC[C@H](C2CCCCC2)C1)C(=O)O 1776067703 HSPBBZNQFRXAHT-DZGCQCFKSA-N 280.412 3.566 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)c1ccc(C)s1 1776083824 BAIOCQWJJNSRHY-UHFFFAOYSA-N 288.372 3.520 30 20 CHED CCc1cccc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1 18055177 XDKIQQIKBVHRMF-UHFFFAOYSA-N 267.288 3.772 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Cl)nc2ccccc12 158627303 CTKJTNCUENSRFI-SNVBAGLBSA-N 274.751 3.583 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CC)c1c(C)noc1C 160316236 QGPGHQJEFOSQPA-CQSZACIVSA-N 276.380 3.627 30 20 CHED C=CCC[C@@H](NC(=O)CO[C@H](C)CC)c1ccccc1 152154839 KPDGAEWWUZMIRR-GDBMZVCRSA-N 275.392 3.625 30 20 CHED C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 153590201 IGRNVXSNVTWDKD-IINYFYTJSA-N 276.767 3.520 30 20 CHED CC/C=C(/C)C(=O)N[C@@H](CCC#N)c1ccccc1 153686827 NHMBSDPKWANJJT-ODDCISTRSA-N 256.349 3.504 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(CCC(F)(F)F)cc1 155169649 JBUUDRLNEPIDRP-GFCCVEGCSA-N 285.265 3.640 30 20 CHED CC(C)(C#N)CCN1CCn2cccc2[C@H]1c1ccccc1 157611725 KFKDXUANRCPBCV-GOSISDBHSA-N 293.414 3.833 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(F)cc(C(F)(F)F)c1 155304763 GHAVFODGYQOVLE-MRVPVSSYSA-N 275.245 3.539 30 20 CHED C=CC1CCN(C(=O)[C@@H](CC)OC2CCCCC2)CC1 154559452 XGDCACPRBLOVHY-MRXNPFEDSA-N 279.424 3.539 30 20 CHED C=CCC[C@H](C)NC[C@H](O)c1ccc(C(F)(F)F)cc1 806173836 DYLDVWZXPNQKSW-FZMZJTMJSA-N 287.325 3.683 30 20 CHED CC(C)c1ccccc1CN(C[C@@H](C)C#N)C1CC1 1307644350 QVZZRZCSYIFGET-AWEZNQCLSA-N 256.393 3.934 30 20 CHED CCCCC[C@@H](C)NCc1ccc(OCC#N)cc1 34991301 QJGUMHQYJSFHNC-CQSZACIVSA-N 260.381 3.647 30 20 CHED C[C@H](NC[C@@H]1Cc2ccccc21)c1cccc(C#N)c1 37566207 ULWSVTSBLOIWAU-GUYCJALGSA-N 262.356 3.549 30 20 CHED Cc1cc(C)cc(N(C)Cc2cc(C#N)ccc2F)c1 48400525 KIDAQDQRSUWLAR-UHFFFAOYSA-N 268.335 3.951 30 20 CHED Cc1scc(C(=O)N[C@H](C#N)C2CCCCC2)c1C 180329076 JFVPMHFPPNCHSC-CQSZACIVSA-N 276.405 3.567 30 20 CHED C=CCC[C@H](C)NCc1cnccc1C(F)(F)F 663470884 NUXAQLPVRNMHCX-JTQLQIEISA-N 258.287 3.545 30 20 CHED C=C(CC)CNCc1nc2ccccc2n1CCC 313498998 NPNDQNNCUMNECD-UHFFFAOYSA-N 257.381 3.502 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC23CCC3)cc1 353882015 OIOHNWKZUPXYOQ-INIZCTEOSA-N 257.377 3.674 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)c1nccs1 86509986 MPFNKAQCNBGFCM-GFCCVEGCSA-N 287.388 3.999 30 20 CHED Cc1ccnc(N2CCC[C@H]2C2CCCCC2)c1C#N 541276239 GUNCBRMZPKQETQ-INIZCTEOSA-N 269.392 3.811 30 20 CHED C=CCN(CCC1(OC)CCC1)Cc1ccccc1 338890715 WDCCRDWEIINZKN-UHFFFAOYSA-N 259.393 3.634 30 20 CHED C[C@@H](CC(C)(C)O)Nc1ccc(C#N)cc1C(F)(F)F 384765330 BALPDCIYDWMXRS-VIFPVBQESA-N 286.297 3.538 30 20 CHED C=CC[C@@H](C)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 788735426 AGSSMQIATLLFSI-RHSMWYFYSA-N 296.455 3.578 30 20 CHED CO[C@H](COc1ccc(C#N)c(C)c1)c1ccccc1 516667122 HZFKNASKYZZLQS-QGZVFWFLSA-N 267.328 3.633 30 20 CHED C=C(Cl)CN1C(=O)S/C(=C\c2cccs2)C1=O 10538031 WDFQXKIJEWYKQB-UITAMQMPSA-N 285.777 3.537 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 25613971 CBBFVAXPTIWSNL-UHFFFAOYSA-N 279.339 3.707 30 20 CHED COc1ccc(C)cc1CNc1ccc(OCC#N)cc1 35174462 DIHNHALEVJJFOL-UHFFFAOYSA-N 282.343 3.518 30 20 CHED CC(C)c1ccc(CNCc2cccc(C#N)c2)cc1 37501711 URJFELJLLOCUHO-UHFFFAOYSA-N 264.372 3.971 30 20 CHED CCCOc1ccc(CNCc2ccc(C#N)cc2)cc1 37505851 CUGNFWJXWMBWTH-UHFFFAOYSA-N 280.371 3.637 30 20 CHED C[C@@H]1CCCC[C@@H]1CNCc1cccc(OCC#N)c1 42858803 AQEOKFLQTSRVIG-GDBMZVCRSA-N 272.392 3.505 30 20 CHED CN(Cc1ccc(Cl)s1)C(=O)C1(C#N)CCCCC1 44385653 MRXOOYZIXPMHHN-UHFFFAOYSA-N 296.823 3.834 30 20 CHED CC(C)COc1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 49456539 HIEFIDZUWYKTHO-INIZCTEOSA-N 294.354 3.606 30 20 CHED CC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](C)C#N 57862514 UGNOLYWVVDWUJA-SMDDNHRTSA-N 250.773 3.883 30 20 CHED C[C@@H](CCNCc1cc(C#N)ccc1F)c1ccccc1 61910630 BJFZYLHSHYVXNB-AWEZNQCLSA-N 282.362 3.981 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1ccc(C#N)cc1)C2=O 63411863 SQXTVIUGXKNOFA-CXUHLZMHSA-N 289.334 3.834 30 20 CHED CC(=O)Nc1cccc([C@@H](C)/N=C/c2ccccc2O)c1 75580858 DKOFKYGCLKUQOI-MBNTZHJCSA-N 282.343 3.531 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C2(C#N)CCCC2)C1 78185084 CAFKYPDLPOABIF-HZPDHXFCSA-N 296.414 3.783 30 20 CHED Cc1cccc(NCc2ccc(F)c(C#N)c2)c1C 83399081 SBBFCSOOMDPLIX-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=CCCOCCN[C@@H](C)c1ccccc1C(F)(F)F 90883548 DJZDVMHCONXCCX-LBPRGKRZSA-N 287.325 3.949 30 20 CHED CC(C)Oc1cccc(-c2nc3cc(C#N)ccc3[nH]2)c1 96874316 MBRQUGYGRDUPRM-UHFFFAOYSA-N 277.327 3.889 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2Cc2ccc(OCC#N)cc2)C1 106617515 CHPNWCHIILAYHG-QFBILLFUSA-N 298.430 3.990 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 116860616 NHGZWTSZGZHJJJ-WCQYABFASA-N 285.309 3.803 30 20 CHED C=CC[C@@H](C)NCc1cc(Br)ccc1F 116927692 ODVBDMWDMQLMBL-SECBINFHSA-N 272.161 3.642 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccc(OC)cc1)C(C)C 116971813 TUWCMEUKEWKKGE-BBRMVZONSA-N 290.407 3.656 30 20 CHED N#Cc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1 121530932 JQUDWVBZAKDGGV-UHFFFAOYSA-N 283.375 3.746 30 20 CHED CCC[C@H](C(=O)N(CCC#N)CC(C)(C)C)C(C)C 121625579 OZNRRGQLMQNTKZ-AWEZNQCLSA-N 266.429 3.847 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2sccc21 123299049 IXQQFCZGKILYAO-CQSZACIVSA-N 296.395 3.987 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2C[C@@]2(C)CC)s1 123498304 PCAUZHJHDNBDJL-SMDDNHRTSA-N 262.378 3.557 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]1C[C@@H](C)O 124775179 IASHSQOUZQXHTQ-HZPDHXFCSA-N 283.456 3.889 30 20 CHED C#CCOc1ccc(C(=O)Nc2cc(C)ccc2Cl)cc1 124890918 GZBPPRDNHMHVLR-UHFFFAOYSA-N 299.757 3.913 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CC)c1ccc(F)cc1F 126924459 IHLRXVCZUZCDTR-IINYFYTJSA-N 282.334 3.680 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1sccc1C#N 127159007 QCFRJXSRNOQQKL-UONOGXRCSA-N 282.368 3.670 30 20 CHED C#CCCCCN[C@H](C)c1ccccc1Br 130807818 AUQYIIRDNRUEER-GFCCVEGCSA-N 280.209 3.903 30 20 CHED COc1ccc(CN(C)[C@H](C)c2ccccc2)cc1C#N 134960893 QIPNKPQHBPDDPP-CQSZACIVSA-N 280.371 3.760 30 20 CHED CC[C@H](CC(=O)N[C@](C)(C#N)CC)c1ccc(C)cc1 157928368 IBQGALIYZRSDEL-PBHICJAKSA-N 272.392 3.687 30 20 CHED C[C@@H](CC(=O)N(C)CCC#N)c1ccccc1C(F)(F)F 161622859 ZGEQNMZQZMPRLI-NSHDSACASA-N 298.308 3.571 30 20 CHED C=CCn1c(S[C@@H]2C=CCCC2)nnc1-c1cccnc1 171792373 DPYONIZELYEFBB-CQSZACIVSA-N 298.415 3.727 30 20 CHED N#CCC1(COC(=O)Cc2c(Cl)cccc2Cl)CC1 174757103 JGCOMMVCRUYVFE-UHFFFAOYSA-N 298.169 3.773 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(N(C)C)cc1)C2 176938495 MAZWUYWGXKVDBM-GDNBJRDFSA-N 293.366 3.584 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1ccccc1OCC#N 177650731 BEEPAVSKAZGSAH-CQSZACIVSA-N 288.391 3.678 30 20 CHED CC(C)(C#N)COC(=O)c1cccc(-c2ccoc2)c1 180164540 SWYWUOAUWCWYMU-UHFFFAOYSA-N 269.300 3.653 30 20 CHED Cc1nc(-c2cccc(C(=O)OC(C)(C)C#N)c2)cs1 181813836 IFJWBWIOBVRCIG-UHFFFAOYSA-N 286.356 3.578 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1oc2ccccc2c1C 183629152 CWPWVRZACNZXOC-KGLIPLIRSA-N 273.376 3.719 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](C)Sc1ccccc1Cl 183935563 KIXSQLTVNNRULC-WDEREUQCSA-N 296.823 3.629 30 20 CHED C=CCOCCCC(=O)Nc1ccc2oc(C)c(C)c2c1 185393534 ZDPMOQQBFKGOJG-UHFFFAOYSA-N 287.359 3.971 30 20 CHED CCc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(C)n1 185511137 VUNLTJBPZPQUHQ-UHFFFAOYSA-N 299.761 3.730 30 20 CHED N#C[C@@H]1CCC[C@H](NCC2(c3ccc(F)cc3)CCC2)C1 185807392 XQHQGQXJDLOPEU-PBHICJAKSA-N 286.394 3.919 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1CCCSCC#N 186036336 CALWJYUZRHBHCO-QGZVFWFLSA-N 288.460 3.730 30 20 CHED CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(C#N)cs1 186383796 WNHDZBYDFFMBBC-HNNXBMFYSA-N 296.395 3.597 30 20 CHED C[C@H](NCc1ccc(Cl)cc1C#N)c1cccc(O)c1 187424200 XPQMLDRMTSEIOL-NSHDSACASA-N 286.762 3.768 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCCC1)CC2 189217930 RWJALXCGXBSHJX-KRWDZBQOSA-N 296.414 3.997 30 20 CHED C#CCN(Cc1cncc(C)c1)[C@H]1CCc2ccccc21 189804976 UTLBWALRIVZFKT-IBGZPJMESA-N 276.383 3.513 30 20 CHED COc1c(C)ccc(NC(=O)C2(C#N)CCCCC2)c1C 194336288 NCODTRCMACCZPC-UHFFFAOYSA-N 286.375 3.725 30 20 CHED C[C@H](CNc1c(F)cc(C#N)cc1F)c1nccs1 230606995 ABLDKOJNQMMZHH-MRVPVSSYSA-N 279.315 3.509 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCCSC(C)(C)C)cc1 237610628 SBWYKTCBHKETRL-ZDUSSCGKSA-N 292.448 3.599 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2coc3ccccc23)o1 254925595 VERUBAKMROXMJJ-VURMDHGXSA-N 296.278 3.709 30 20 CHED Cc1cccc(C(=O)/C=C\c2scnc2C)c1C 254972552 QGAIXVWUTNMOQC-FPLPWBNLSA-N 257.358 3.964 30 20 CHED Cc1ccccc1C=NOCc1cccc([N+](=O)[O-])c1C 255346664 ZHXYPWFOOAUOOK-UHFFFAOYSA-N 284.315 3.762 30 20 CHED COc1cccc(/C=C2/Cc3cc(F)ccc3C2=O)c1OC 255502645 JWEVELPQGCJZBT-JYRVWZFOSA-N 298.313 3.665 30 20 CHED O=C(/C=C\c1c(Cl)cccc1Cl)c1cnccn1 255621680 ZOUDIROSURBSHW-PLNGDYQASA-N 279.126 3.680 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C\c1cnc(C)s1 255757013 VMYNFPDOJUBPDC-KTKRTIGZSA-N 298.411 3.680 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccc(F)cc1F)C1CC1 271458622 FVUMSHKAPWBFNJ-LLVKDONJSA-N 279.330 3.635 30 20 CHED C[C@@H](NC[C@@]1(C)CCCS1)c1ccc(C#N)c(F)c1 271979066 WRKDKHGBCDPKMM-IAQYHMDHSA-N 278.396 3.634 30 20 CHED N#CCCCNC(=O)Nc1cc(C(F)F)ccc1Cl 273194835 HKALGMFBWSUMLO-UHFFFAOYSA-N 287.697 3.703 30 20 CHED CSCc1cccc(-c2noc(C3(C#N)CCC3)n2)c1 273767489 DWWADKRPAQHMAI-UHFFFAOYSA-N 285.372 3.545 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(OC(C)(C)C)CC1 275071998 KQWLZQAGVCXSPN-CQSZACIVSA-N 286.419 3.899 30 20 CHED C=CCC[C@H](NCC(C)(C)C[C@H](C)O)c1ccco1 276443494 KONAXIYZVDZNIO-KBPBESRZSA-N 265.397 3.674 30 20 CHED N#Cc1cc(F)c(N2CCC(c3ccncc3)CC2)c(F)c1 277230089 SSMBWFTVDQZDKW-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C[C@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 277983847 QTXSNGXXYLLTJR-ZBFHGGJFSA-N 284.403 3.721 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(Cc3ccccc3)CC2)C1 278509669 BGLNNZNBTNBSBA-ROUUACIJSA-N 268.404 3.633 30 20 CHED C#CCC(C)(C)C(=O)OCc1ncc(C(C)(C)C)s1 279085977 BIAWBIJFBVAWNL-UHFFFAOYSA-N 279.405 3.533 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(C)[nH]c2ccccc12 281597352 CYSMLXIUDSLZEO-LBPRGKRZSA-N 256.349 3.561 30 20 CHED N#Cc1cc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccn1 283780433 QEASWWYLGBMFDN-JKSUJKDBSA-N 299.761 3.549 30 20 CHED C=C(C)COc1cc(CNCCC(C)(F)F)ccc1OC 295960898 HVIAHLYEPUCTSG-UHFFFAOYSA-N 299.361 3.785 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 298306940 DEFRTHJIEDYKES-UHFFFAOYSA-N 296.798 3.738 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C1CC1)[C@@H](C)c1ccccc1 299332686 ROTTUAMKLVUXIC-GJZGRUSLSA-N 287.403 3.720 30 20 CHED CCCN(Cc1ccc(F)cc1)C(=O)C1(C#N)CCCC1 299461159 XIYUEENUPJHTJR-UHFFFAOYSA-N 288.366 3.648 30 20 CHED CN(CCC#N)c1nc(-c2cccs2)nc2ccccc12 301062137 SSBNDSYUMVVUHG-UHFFFAOYSA-N 294.383 3.708 30 20 CHED CCC[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCO1 301831209 IDKJWSMXILTAFM-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED N#Cc1ccc(Oc2ccc(Cc3ccccc3)cc2)nn1 301963051 IWKWOEHPPFXFTP-UHFFFAOYSA-N 287.322 3.731 30 20 CHED CCCC(O)(CCC)CNc1ccc2cc(C#N)ccc2n1 301975258 LHFQBJVXOMNKLX-UHFFFAOYSA-N 297.402 3.850 30 20 CHED N#Cc1ccc(N2Cc3cccc(Br)c3C2)cc1 302247909 LJSPAUUAVYURBC-UHFFFAOYSA-N 299.171 3.841 30 20 CHED CC(C)C[C@@H](CNc1cc(Cl)ccc1C#N)N(C)C 303816200 WIFLGKQODKUXRL-AWEZNQCLSA-N 279.815 3.600 30 20 CHED C=C(Br)CN[C@@]1(C)CCCc2ccccc21 309453384 NAFQLPGDBGWQOP-AWEZNQCLSA-N 280.209 3.736 30 20 CHED C=CCC[C@H](CC)NCCSCC(F)(F)F 309480661 SXOZDASFJOZISM-JTQLQIEISA-N 255.349 3.616 30 20 CHED Cc1nc(Oc2ccc3cccnc3c2)ccc1C#N 312305995 OOSJEXUDCSEBCY-UHFFFAOYSA-N 261.284 3.602 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2CC3CCC2CC3)c1 313462829 KCONWZVLBMMAOQ-ZBCRRDGASA-N 268.360 3.517 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC23CCCC3)cc1 328124200 SIDZJUIKKOMILA-MRXNPFEDSA-N 254.377 3.761 30 20 CHED CCc1onc(C)c1N=C(O)[C@@H]1CCC(=O)c2ccccc21 328795399 CGNJBACDTXCIOD-CYBMUJFWSA-N 298.342 3.894 30 20 CHED C[C@@H]1CCC[C@](C#N)(/N=C(/O)C2CCSCC2)C1 328806197 LANCOQVAEHDRCS-RISCZKNCSA-N 266.410 3.559 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C(/O)Cc1ccc2c(c1)N=C(O)C2 328863305 ZEZHAXKQXIQNDU-MFKMUULPSA-N 272.348 3.518 30 20 CHED CC[C@H]1C[C@@H](C(O)=Nc2cnc3c(c2)CCCC3)CCO1 329326222 WMUYJRBISWBJIC-ZFWWWQNUSA-N 288.391 3.754 30 20 CHED Cn1c(N=C(O)[C@@H]2C[C@@H]2C2CCCCC2)nc2cccnc21 330315206 YMVIUKVKKYYEGB-CHWSQXEVSA-N 298.390 3.773 30 20 CHED Cc1c(C)c(C)c(CNC(=O)CCCC#N)c(C)c1C 330907886 WLNLBBJVHQLVAD-UHFFFAOYSA-N 272.392 3.539 30 20 CHED N#C[C@]1(C(=O)Nc2ccc3c(c2)CCC3)CC12CCCC2 333076109 DNMLBOPRHQKYOC-SFHVURJKSA-N 280.371 3.588 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)Nc1cccc(CC#N)c1 334982879 UTDHMXQPCHJZMM-MRXNPFEDSA-N 285.391 3.795 30 20 CHED N#CCC1CCN(C(=O)c2cccc3ccsc23)CC1 335823060 KNAFIJBGGZEMAK-UHFFFAOYSA-N 284.384 3.667 30 20 CHED C[C@@H]1C[C@@H](NCCCC#N)c2ccsc2S1 336692092 KXDLGSRCWDPLHT-MWLCHTKSSA-N 252.408 3.567 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC12CCC2 337537927 ZCCGLSVTMVHIST-MRXNPFEDSA-N 257.377 3.674 30 20 CHED CO[C@@H](CN(CCC#N)CCC(C)C)c1ccccc1 338545848 IZUSCJOXCHIXRU-KRWDZBQOSA-N 274.408 3.636 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1ccccc1F 342750001 LXUNBYISKRLITN-UHFFFAOYSA-N 261.340 3.553 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cccc(C(F)(F)F)c1 343584383 OHPIVMCETSWOJG-JTQLQIEISA-N 268.282 3.660 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc2ccoc2c1 344004652 YHFNASFDLFWEEN-UHFFFAOYSA-N 268.297 3.618 30 20 CHED Cc1cc(Cl)cc2c1OCCC[C@@H]2NCCCC#N 346806087 AUSPVVBUJHHNOD-AWEZNQCLSA-N 278.783 3.756 30 20 CHED COc1ccc(C(C)(C)CNc2nc(C)ccc2C#N)cc1 346856063 WOSBTRBHHBUNFF-UHFFFAOYSA-N 295.386 3.660 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCc3sccc3[C@H]2C)c1 347430019 MUKVMZNNZJROSV-LLVKDONJSA-N 296.395 3.946 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C2CC2)cn1 348527847 VAJZQPOMAPZACN-UHFFFAOYSA-N 285.391 3.503 30 20 CHED Cc1cccc(-c2n[nH]cc2/C=C/c2ccncc2C#N)c1 349113331 RFPBOXUODXKXTC-AATRIKPKSA-N 286.338 3.822 30 20 CHED C=C(C)CCc1noc(-c2cnc([C@@H]3CCCO3)s2)n1 349771444 LUIXOYCSLHNDNQ-JTQLQIEISA-N 291.376 3.553 30 20 CHED COCc1ccccc1/C=C(/C)CNCCCCC#N 352435717 SIZDTQNDXDSFAK-QINSGFPZSA-N 272.392 3.520 30 20 CHED CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1c(C)noc1C 353268982 SIFGHQYZVSNOCS-DLBZAZTESA-N 295.386 3.891 30 20 CHED C=CCN(CC=C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 355445070 GYWSMDVKJDUFPO-AWEZNQCLSA-N 283.375 3.780 30 20 CHED CN(C(=O)C[C@H](CC#N)c1ccccc1)C(C1CC1)C1CC1 355455143 INRPPNMNOIVMHN-KRWDZBQOSA-N 296.414 3.721 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H](C3CC3)C2)cc1 356447604 ROGLRVPQKUVGHD-INIZCTEOSA-N 285.387 3.514 30 20 CHED C=C(CNC(=O)NCC1(CC)CCC1)c1ccccc1 358592157 PZBASJRMBXSFNZ-UHFFFAOYSA-N 272.392 3.579 30 20 CHED CO[C@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 359908415 XXPPQPMNEKGDAM-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED C=CCC[C@H](NC(=O)c1cccc(CO)c1)c1ccccc1 362907168 ZYBCEQOFZRJMNR-SFHVURJKSA-N 295.382 3.616 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCNCC1(C)C 379935677 AQBPHAKGHKNHPX-HNNXBMFYSA-N 282.472 3.631 30 20 CHED C=CCC(C)(C)CNCc1c[nH]nc1-c1ccccc1 380769870 ROZIIILMYRHWJT-UHFFFAOYSA-N 269.392 3.769 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccc(F)cc2)c1 385943730 MKUYHXHPJZWVJF-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=C(Br)CNC(=O)c1ccc2sccc2c1 386281771 FPMVIMLLJBMOMJ-UHFFFAOYSA-N 296.189 3.540 30 20 CHED CC(=O)c1ccc(C)cc1OCc1ccc(CC#N)cc1 399035280 OBZRUHGKRPPLQK-UHFFFAOYSA-N 279.339 3.843 30 20 CHED Cc1cc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)ccn1 408448444 UZVDJFVMNKCFAT-UHFFFAOYSA-N 299.418 3.619 30 20 CHED CN(CCCCC(C)(C)C#N)CCN(C)c1ccccc1 409446887 CITJIDQPWMXUDD-UHFFFAOYSA-N 287.451 3.775 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCOc1ccccc1C 410146823 CSGGSEVEGJOUGJ-OAHLLOKOSA-N 275.392 3.625 30 20 CHED C=CCC1(C(=O)Nc2cnc(C#N)c(Cl)c2)CCCC1 411024419 AUYJAEFYXPWQOG-UHFFFAOYSA-N 289.766 3.682 30 20 CHED C[C@@H](CC(=O)Nc1cnc(C#N)c(Cl)c1)C(C)(C)C 411034555 SFFUXPJNGADYHV-VIFPVBQESA-N 279.771 3.617 30 20 CHED C[C@H](NCCC1(C#N)CCCCC1)c1cccnc1 411435649 DRIDPOFXGXSCQT-AWEZNQCLSA-N 257.381 3.596 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CCC[C@@H]21 413837556 QZNOQKUBJOYKQA-KURKYZTESA-N 298.430 3.758 30 20 CHED N#CC1(CNCc2ccc(C3CCC3)cc2)CCC1 418143401 PHLNBUKNEZBNMV-UHFFFAOYSA-N 254.377 3.738 30 20 CHED COc1cc(CSCC2(C#N)CC2)ccc1Cl 419576126 BQXQYAKIHNPAGE-UHFFFAOYSA-N 267.781 3.886 30 20 CHED C[C@H](CC1CCCCC1)C(=O)NCc1ccc(C#N)s1 421599378 FHYPRHYVRXYGMG-GFCCVEGCSA-N 290.432 3.842 30 20 CHED CC1(C)[C@@H](NCC2(CC#N)CC2)C[C@@H]1OCc1ccccc1 430738750 LIYQLYXEVQMQRW-IRXDYDNUSA-N 298.430 3.654 30 20 CHED N#CCN(C(=O)c1sccc1C1CC1)c1ccccc1 432940074 WCWBDMANLILSKO-UHFFFAOYSA-N 282.368 3.796 30 20 CHED N#Cc1cnc(N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)c(Cl)c1 434946683 LAHWKCYHXKAOOI-FVQBIDKESA-N 295.773 3.747 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(C2CCC2)cs1 436169855 CBTIJTLVMZPGIY-AWEZNQCLSA-N 264.394 3.951 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCCC1CCCCC1 437244732 NBGXMERGGZWLSI-HZPDHXFCSA-N 251.414 3.528 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1cc(C#N)cs1 437553421 DYPBPGFKJDIHNV-AAEUAGOBSA-N 276.405 3.566 30 20 CHED CC(C)(C)[C@H]1CCCN1CC#Cc1ccc(F)cc1 438193142 UJEVDBXIPZATPN-MRXNPFEDSA-N 259.368 3.688 30 20 CHED CC(C)[C@@H](NC(=O)[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 439658101 KNUJGNPTSWWIOS-GXFFZTMASA-N 298.308 3.678 30 20 CHED CC(C)CSCCCN(C)Cc1ccc(C#N)cc1 443674464 NTACIFQHLFNJCE-UHFFFAOYSA-N 276.449 3.769 30 20 CHED Cc1cc(CN[C@@H](C)CCc2ccc(O)cc2)ccc1C#N 443980692 RTWHYCJINQYNLY-HNNXBMFYSA-N 294.398 3.683 30 20 CHED CC(=O)Nc1cc(NCc2ccc(C#N)c(C)c2)ccc1C 443992012 YAIRTAKPEMMKCA-UHFFFAOYSA-N 293.370 3.746 30 20 CHED Cc1cc(CNC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)ccc1C#N 443998034 NXZIFOXWSPOZJE-VAMGGRTRSA-N 288.394 3.542 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc(C(F)(F)F)ccc1F 447338985 DIUWYNSBLMVXNX-UHFFFAOYSA-N 288.244 3.723 30 20 CHED C=C(C)COc1cccc(NC(=O)C(C)(C)OC(C)C)c1 448886850 VODJDFLNXDPYHW-UHFFFAOYSA-N 291.391 3.784 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 448984791 UEFFFTYLRUWCQR-UXIGCNINSA-N 290.794 3.703 30 20 CHED C=CCC[C@@H](CCC)Nc1cnn([C@H]2CCOC2)c1C 449532261 ICBNBHQHGZUKJY-CABCVRRESA-N 277.412 3.700 30 20 CHED C=CCC1(C(=O)NCc2ccncc2CC)CCCCC1 450478335 FPHDRRZDXPSANL-UHFFFAOYSA-N 286.419 3.787 30 20 CHED C=CCC1(C(=O)NCC[C@H]2CCO[C@H](C)C2)CCCCC1 450555798 NJHBCXWWCKFEHG-CVEARBPZSA-N 293.451 3.834 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccccc1Br 450657715 ACLBJUSHDODGSE-NSHDSACASA-N 293.208 3.794 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccsc2)cc1 451613525 NRFASAHCOCCTMH-SJORKVTESA-N 285.412 3.848 30 20 CHED C=CC(C)(C)CNC(=O)CCCc1ccc(C)s1 452778273 XLYFXJHJECSYMA-UHFFFAOYSA-N 265.422 3.708 30 20 CHED C=CC(C)(C)c1nc(Cc2c(C)[nH]c3ccccc23)no1 453102520 PTEXLEGTROSXDG-UHFFFAOYSA-N 281.359 3.914 30 20 CHED C=CCCc1noc(C2(Oc3ccc(Cl)cc3)CC2)n1 453236327 NKMDGQYEXALZOB-UHFFFAOYSA-N 290.750 3.910 30 20 CHED Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(C2CC2)n1 454348656 YZUMXLGAPVIHAX-UHFFFAOYSA-N 291.354 3.586 30 20 CHED C=CCCCCNC(=O)NC1CCC(CSC)CC1 454826953 ZTHSPDCVIPWCSA-UHFFFAOYSA-N 284.469 3.564 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 455563123 IOEGYTGPCZCEPG-ZWNOBZJWSA-N 298.308 3.630 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)C(C)C 455710038 WMFPPQVXZROSDK-CYBMUJFWSA-N 293.798 3.962 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cccc(CC#N)c1 456749595 KZKXFWVCGUBTHE-LBPRGKRZSA-N 258.365 3.763 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CCC1 458010579 XEBVSUCIERDMLH-DZGCQCFKSA-N 273.351 3.544 30 20 CHED C=CCOc1ccccc1C(=O)N(C)C1CC(C)(C)C1 458207484 NIZRFDMBEPIHQP-UHFFFAOYSA-N 273.376 3.512 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccccc1)[C@H](C)CC 459003721 OXJSXWQQDNSYCP-OAHLLOKOSA-N 274.408 3.963 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(Cc2cccs2)no1 461801701 YMEDQGXOPCLUMI-NSHDSACASA-N 295.367 3.745 30 20 CHED C=CC[C@H](CC)NCc1cc(C)c2ncccc2c1 466406741 YBEALEISPHGPIX-INIZCTEOSA-N 254.377 3.988 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2cc(C)ccc2nc1C 466530856 PMJGPBJUNNQWFM-HNNXBMFYSA-N 282.387 3.936 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 466642744 BPSWXAXKEUGLRJ-CHWSQXEVSA-N 297.320 3.843 30 20 CHED COc1ccc([C@@H](C)NCCc2cccc(C#N)c2)cc1F 467437987 KXAYTLUQJWECRX-CYBMUJFWSA-N 298.361 3.599 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@@H]2c2ccccc2)CC1 468368735 WJJYXXLOJDAVEF-WOJBJXKFSA-N 298.474 3.953 30 20 CHED C=CCOCCCN[C@H](C)c1ccc(-c2cccnc2)cc1 470778092 DQIQMKJTMKCYRN-MRXNPFEDSA-N 296.414 3.992 30 20 CHED C=CCOCCCNC(C)(C)c1cccc(Cl)c1F 470790665 VCNRAHTZKBVVAQ-UHFFFAOYSA-N 285.790 3.897 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CCC[C@H](C)C1 474083706 XLXJODGUXIOSDT-UONOGXRCSA-N 252.402 3.563 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 474287609 HTDLGAVXMPZBKA-HOCLYGCPSA-N 270.376 3.908 30 20 CHED C[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1OC(F)F 475155968 VRHQRAITFBARTJ-SMDDNHRTSA-N 294.345 3.828 30 20 CHED C=CCn1c(S[C@@H](C)CCC)nnc1-c1ccccn1 481392210 SPVOMCORNYYXRL-LBPRGKRZSA-N 288.420 3.807 30 20 CHED C(#Cc1ccccc1)CN[C@@H]1CCC[C@H]1c1ccccc1 483975438 GHVRSMQOXOZQNM-VQTJNVASSA-N 275.395 3.964 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2cccc(C#N)c2)CS1 488299449 NPNIQVKVDZTJTJ-UONOGXRCSA-N 260.406 3.890 30 20 CHED Cc1cscc1CNC(=O)Nc1cc(C#N)ccc1C 488340530 RIBGPJHDLSDVPI-UHFFFAOYSA-N 285.372 3.558 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCc1ccccc1 488845077 VREJKYZPXULQES-MRXNPFEDSA-N 257.377 3.576 30 20 CHED C#C[C@H](NC(=O)CCCCSC)c1ccc(Cl)cc1 491667099 MNUJYSSPLBHKAH-AWEZNQCLSA-N 295.835 3.664 30 20 CHED CC1(C)CCC[C@H]1NCc1ccc(Cl)cc1C#N 492897080 WXNXTESRZNVSCS-CQSZACIVSA-N 262.784 3.880 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCc1occc1C 494634724 XLEKZHRSRICOMY-UHFFFAOYSA-N 290.407 3.866 30 20 CHED C=CCCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 494956112 SYFGJMAYVCPSMH-PBHICJAKSA-N 277.383 3.849 30 20 CHED CC[C@H]1CCCN(Cc2ccc(C#N)cc2OC)CC1 501199555 BGOSBRKWJIOBNG-AWEZNQCLSA-N 272.392 3.579 30 20 CHED N#Cc1ccc(C(=O)NC2(c3ccccc3)CCCC2)cc1 505186463 YAFOKRWSZGLDQL-UHFFFAOYSA-N 290.366 3.758 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC2 507205927 AFMCGMDCJPSQPY-UHFFFAOYSA-N 276.383 3.679 30 20 CHED C=CC[C@H]1N(C(=O)c2ncccc2Cl)CCCC1(C)C 508072438 GGDQURRRZXEFLJ-CYBMUJFWSA-N 292.810 3.942 30 20 CHED Cc1cccc([C@@H](C)CNc2ccc(C#N)cc2[N+](=O)[O-])c1 525461623 BOEUTHHKKYBSRK-ZDUSSCGKSA-N 295.342 3.991 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cnn(C2CCCC2)c1C 529180938 RDGZSVWFWUWTGJ-UHFFFAOYSA-N 288.395 3.575 30 20 CHED CCN(CC#N)[C@H](c1ccccc1)c1ccc(F)cc1 532715051 PIVLZYRYFWAGQA-QGZVFWFLSA-N 268.335 3.761 30 20 CHED N#Cc1cccc(N2CCCC[C@@H]2c2ccc(F)cc2F)n1 533687061 XBHYSTNTMAAPBB-MRXNPFEDSA-N 299.324 3.963 30 20 CHED C=C(C)[C@H](CC(=O)NCC(C)(C)CC(C)C)OCC 533704984 YKGWAKXOUAMRLQ-AWEZNQCLSA-N 269.429 3.546 30 20 CHED CC(C)N(CCC#N)Cc1ccc(OC(F)F)c(F)c1 534337912 CQIQREFMWVGQJS-UHFFFAOYSA-N 286.297 3.551 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(F)c(C#N)c1 534381616 AYFJFFYQAWBCGG-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CC(C)CN(C(=O)c1ccc(Cl)c(C#N)c1)C(C)C 541607243 FKUHQGOYAZZGHR-UHFFFAOYSA-N 278.783 3.718 30 20 CHED C[C@H](Cn1nc(C#N)c2ccccc21)c1ccccc1 542337488 MYRCMVZVEFAUSJ-CYBMUJFWSA-N 261.328 3.712 30 20 CHED N#Cc1nn(CCCc2ccccc2)c2ccccc12 542339790 MUMZGILWMARONA-UHFFFAOYSA-N 261.328 3.541 30 20 CHED N#CCC1CCN([C@@H]2CCc3c(Cl)cccc32)CC1 543808169 ZGQDXECCQVBJIZ-MRXNPFEDSA-N 274.795 3.953 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2cccc(F)c2[C@H]1C 545258057 GGISXLRGZHSQDL-TZMCWYRMSA-N 290.382 3.809 30 20 CHED N#Cc1cccnc1NCC(F)(F)c1ccc(Cl)cc1 553385757 YIVDBTSLGGNWND-UHFFFAOYSA-N 293.704 3.811 30 20 CHED COc1cc2c(cc1Cl)CN(CCC(C)(C)C#N)CC2 559450026 JEAWZGRYHQYWEK-UHFFFAOYSA-N 292.810 3.647 30 20 CHED C=CCOc1ccc(CN[C@@H]2CS[C@@H](C(C)C)C2)cc1 567399551 IQRWFODTIMRNLB-DOTOQJQBSA-N 291.460 3.871 30 20 CHED COc1ccc(CN2CCC(CCC#N)CC2)cc1C 569576790 GFOBTWLDPMYTRI-UHFFFAOYSA-N 272.392 3.519 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@H](C)[C@H](C)C1 570295876 ATCDSIYOCJKXET-UONOGXRCSA-N 288.439 3.604 30 20 CHED Cc1cccc([C@H](C)CNC(=O)[C@]2(C#N)CC23CCCC3)c1 572233273 RYJDJGMYZNKRPP-DNVCBOLYSA-N 296.414 3.689 30 20 CHED CC(C)(C)[C@H]1CN(C(=O)NCC2(C#N)CC2)c2ccccc21 581108762 CNAMSUSIDFLTBP-AWEZNQCLSA-N 297.402 3.650 30 20 CHED C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1cccc(C#N)c1 585726110 UNJCRILAGXJUQR-ORAYPTAESA-N 292.382 3.992 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)OC(C)(C)C#N 588428768 YCAKRPKIMYSIDC-YFHOEESVSA-N 263.724 3.589 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(F)nc3)c2c1 588524153 ZLIREOWABKCHCO-KXFIGUGUSA-N 296.301 3.607 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 592626314 WQRNTLGRADSFFT-FUHWJXTLSA-N 294.398 3.798 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 593408716 RYOPRDAXJHFMPM-UKRRQHHQSA-N 272.392 3.830 30 20 CHED CC1(C)C[C@H](N[C@@H]2CC[C@@H](C#N)C2)c2cc(F)ccc2O1 593674549 XHYYDLCILAXTIA-KYOSRNDESA-N 288.366 3.710 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(NC2CCCC2)c1 593893724 XDWVXHPHHAHODO-LBPRGKRZSA-N 271.364 3.529 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCc1c(Cl)cccc1Cl 594083533 KFRJBMAUOZLFMR-JTQLQIEISA-N 299.201 3.687 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H](C)Sc1ccccc1Cl 594088746 NVJOVTNWXPVLPX-MNOVXSKESA-N 296.823 3.581 30 20 CHED Cc1cc(CNc2ccccc2SCCC#N)nc(C)n1 594706278 UMLFGDRZZKNZND-UHFFFAOYSA-N 298.415 3.711 30 20 CHED C[C@@H](CN(C)[C@H](C#N)c1ccccc1)c1ccccc1 595304742 GFKHZHZPPHSAOU-MAUKXSAKSA-N 264.372 3.987 30 20 CHED CN(CC1=CCSC1)Cc1ccccc1C(C)(C)C#N 595889828 XHQWNPOPKBJFBC-UHFFFAOYSA-N 286.444 3.593 30 20 CHED CC(C)COCCSCCc1ccc(C#N)cc1 596359570 AZMACMGBANSIJG-UHFFFAOYSA-N 263.406 3.507 30 20 CHED CC(C)c1nnc(CSCCc2ccc(C#N)cc2)o1 596380068 ALAQSPLDMVQWBV-UHFFFAOYSA-N 287.388 3.541 30 20 CHED C=CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 596426751 DBXKEUZJCIONCP-ZDUSSCGKSA-N 288.347 3.590 30 20 CHED C=CCC1(NCCSCc2ccccc2)CCOCC1 597205478 KRYSWENUWMEYOI-UHFFFAOYSA-N 291.460 3.635 30 20 CHED CCc1ccc2occ(C(=O)N3CCC[C@@H](CC#N)C3)c2c1 597904398 QMPGPFLJBDLIPD-AWEZNQCLSA-N 296.370 3.761 30 20 CHED CCCCNc1ccccc1C(=O)N1CCC[C@@H](CC#N)C1 597914639 HOYCBHOYNJUROU-HNNXBMFYSA-N 299.418 3.664 30 20 CHED Cc1csc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C#N 598836422 IQODIJDRVPYYMH-SNVBAGLBSA-N 298.367 3.504 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@H](C)CC(C)(C)C)n1 598852910 KYOZKNWHBXPERW-NSHDSACASA-N 287.407 3.971 30 20 CHED C[C@H](CCC#N)CNCCc1csc(-c2ccccc2)n1 602502268 KXMANFVXWJDWLT-CQSZACIVSA-N 299.443 3.882 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(F)cc1C#N)CCC2 609540806 GUIXIXKPDCKGEV-UHFFFAOYSA-N 280.346 3.959 30 20 CHED CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cccc(F)c1C#N 609823321 RYBQGTPRARLZFI-WBMJQRKESA-N 290.382 3.951 30 20 CHED CC(C)(C)c1cccc(OCCNc2cccc(C#N)n2)c1 609893826 LQBUUUZOPSBRIZ-UHFFFAOYSA-N 295.386 3.742 30 20 CHED Cc1cc(C)c(CN2CCC[C@@](C)(C#N)C2)cc1C 612406112 ILLOEWKISLPHRU-KRWDZBQOSA-N 256.393 3.738 30 20 CHED CC[C@H](CC#N)NCc1c(Cl)cccc1OC(F)F 613044476 QYANAECAULVVRG-SECBINFHSA-N 288.725 3.723 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)o1 613255192 XNHKVDZPENSBBB-CXTNEJHOSA-N 258.365 3.575 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ncccc2F)CCCCC1 614218215 DKVJJOXZYXVJRK-CYBMUJFWSA-N 290.382 3.925 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3cccc(OC)c3o2)C1 617787679 UYGLUDMVWXNAGE-ZDUSSCGKSA-N 299.370 3.870 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cc2cc(C)ccc2o1 618470567 WHJBMKYVAJKMSL-UHFFFAOYSA-N 271.360 3.960 30 20 CHED Cc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)c(F)c1Cl 619016932 UVWBKPQTVMIMHX-OAHLLOKOSA-N 294.757 3.553 30 20 CHED C=CC[C@@H](CC)NCc1ccc(O[C@@H](C)COC)cc1 657454628 CDHGKOCUSGANTG-GOEBONIOSA-N 277.408 3.545 30 20 CHED C=CCOc1ccc(CNC(=O)N(CC)[C@@H](C)CC)cc1 664867887 MIQVPLABKAEQJT-AWEZNQCLSA-N 290.407 3.581 30 20 CHED C=C(CN[C@H]1CC(C)(C)OC1(C)C)c1ccccc1 675781827 COKMJSCATLDKRS-HNNXBMFYSA-N 259.393 3.636 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCCC[C@H]1CCC 679288874 XXOZBMVOPSPJQC-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 714398251 XDNWOWJMHSXIPB-GXFFZTMASA-N 276.767 3.976 30 20 CHED CCCCCCCC(=O)NCCc1csc(CC)n1 726555878 DWFAVGXWCLDDKL-UHFFFAOYSA-N 282.453 3.725 30 20 CHED Cc1cc(C(=O)/C=C\c2sccc2C)ccc1O 728230243 CCUHHQLITQQUQB-WAYWQWQTSA-N 258.342 3.967 30 20 CHED C#CCCCOC(=O)/C=C\c1ccccc1O[C@@H](C)CC 729889757 POICCWHFTKIQIV-LLNWESEBSA-N 286.371 3.834 30 20 CHED CCC/C=C/C(=O)N(CCC#N)c1ccc(OCC)cc1 731192601 HLYKMMBMJKJKGG-SOFGYWHQSA-N 286.375 3.688 30 20 CHED C[C@@H](C#N)OC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 733522612 LCNHRXBBOSXRIC-ZJUUUORDSA-N 285.265 3.654 30 20 CHED C[C@@H](C(=O)OCc1cn2ccccc2c1C#N)C(C)(C)C 734624035 AZVJTMSXQFZAGA-LBPRGKRZSA-N 284.359 3.536 30 20 CHED COc1cc(C#N)ccc1OC(=O)/C=C\C1CCCCC1 735424374 YBFAYIVAGADPQB-NTMALXAHSA-N 285.343 3.609 30 20 CHED C=CCCCOC(=O)c1nc(Cl)ccc1Cl 735524876 YHCFOWCXGUIIPI-UHFFFAOYSA-N 260.120 3.511 30 20 CHED C=CCCCOC(=O)CCOc1ccc(C)cc1C 735528495 QRMMDAHQLTXREY-UHFFFAOYSA-N 262.349 3.582 30 20 CHED C=CCCCNc1cc(C(=O)O)ccc1OC(C)C 736102583 QTGOTLDVUHYGSR-UHFFFAOYSA-N 263.337 3.550 30 20 CHED CCCCN(CC(F)(F)F)CC(F)(F)C(F)F 736619845 IFEIYNVFLSRXHB-UHFFFAOYSA-N 269.204 3.551 30 20 CHED COc1cccc(/C=C2/COc3ccc(C)c(C)c3C2=O)c1 737444412 RGUGFJDSODCVEE-DHDCSXOGSA-N 294.350 3.971 30 20 CHED C#CCN(C(=O)Cc1ccc(CC)cc1)C1CCCCC1 741547156 BMALRVGSEMFDLB-UHFFFAOYSA-N 283.415 3.586 30 20 CHED CC/C(=C\C(=O)N[C@H](C#N)CC(C)C)c1ccc(C)cc1 741680575 IKOFYYUHBLGPEW-JMPLCFMRSA-N 284.403 3.843 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1F 742436811 NTJNLFMZSNFNAF-KXFIGUGUSA-N 298.313 3.761 30 20 CHED Cc1cc(C=NNc2ccccn2)c(OC(F)F)cc1C 743425999 FBJZPXZHIISSRX-UHFFFAOYSA-N 291.301 3.746 30 20 CHED CCCCCC(C)=Nn1c(S)nnc1[C@@H]1CCCCO1 743451275 BVJMYCSOFBFGJB-LBPRGKRZSA-N 296.440 3.613 30 20 CHED Fc1ccc(OCCCON=Cc2ccccc2F)cc1 745580781 CATLKOUQAPMBCW-UHFFFAOYSA-N 291.297 3.784 30 20 CHED CC(=NNc1ccccc1Cl)c1cnn(C(C)C)c1 746677112 QJZRPLAIDZEAIS-UHFFFAOYSA-N 276.771 3.954 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC23CCCC3)cc1 747370210 MHYDKSZFTZSILF-INIZCTEOSA-N 282.387 3.822 30 20 CHED C[C@@H](OC(=O)/C=C/c1ccsc1)c1ccc(C#N)cc1 748680968 YBDQIJMSOMGRIJ-RPTYSRGTSA-N 283.352 3.937 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1ccc2c(c1)CCO2 748997915 LLIROWSICDASJS-RJRFIUFISA-N 285.730 3.566 30 20 CHED CCON=C(C)Cc1ccc(Br)c(F)c1 749860012 SQEZKCXVCSXMHL-UHFFFAOYSA-N 274.133 3.543 30 20 CHED Oc1ccc2ccccc2c1/C=N\Cc1ncccc1F 751517086 GKUBMMLRHFRKHA-GRSHGNNSSA-N 280.302 3.699 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(N(C)C)c(F)c2)o1 752238508 UYZQVJVIOZCIIP-RMKNXTFCSA-N 287.334 3.943 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)CS1 754145878 WBBLNFBYNDIOLD-HIFRSBDPSA-N 292.423 3.707 30 20 CHED CCCCCCCCNC(=O)NCc1ccc(Cl)nc1 754845881 AVCWBGNCMHAAGR-UHFFFAOYSA-N 297.830 3.895 30 20 CHED CCCCCCCCNC(=O)N(C[C@H]1CCOC1)C1CC1 755076928 DEHYXRJJAQREKT-OAHLLOKOSA-N 296.455 3.557 30 20 CHED Cc1cc(F)ccc1NN=Cc1cnc2c(C)cccn12 755813747 HRVMVMHZJJLMIT-UHFFFAOYSA-N 282.322 3.536 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1ccccc1 756776778 RFPMFFWXSHKKNO-SUMWQHHRSA-N 283.346 3.947 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2cc(O)ccc2O)c1 757467260 CIZGHXFDQPVCJD-SOFGYWHQSA-N 296.322 3.559 30 20 CHED C=CCN(C/C=C/c1ccc(F)cc1F)C(C)C 757732413 HLBJZGDZFQNPMM-AATRIKPKSA-N 251.320 3.874 30 20 CHED C#CCCCC(=O)N[C@H](C)c1ccccc1C(F)(F)F 757871994 VAAYPBRSDZRHSK-LLVKDONJSA-N 283.293 3.686 30 20 CHED CCc1ccc(CCC=NOCC(F)(F)F)cc1 758129225 NLXAUSJYMMARLP-UHFFFAOYSA-N 259.271 3.746 30 20 CHED Fc1cc(F)cc(Oc2ccc(C=NNC3CC3)cc2)c1 758132764 KPUDHUZNHBKNCM-UHFFFAOYSA-N 288.297 3.843 30 20 CHED COCCCC(C)=NNc1nccc2sccc12 759202490 QMPVFUBNKYNVTP-UHFFFAOYSA-N 263.366 3.511 30 20 CHED Cc1cc(C=NNc2cnc3ccccc3n2)c(C)s1 760248161 IRFBRXAKSVGYMX-UHFFFAOYSA-N 282.372 3.754 30 20 CHED CCCCCCCCCc1nc(Cc2ccon2)no1 762099830 ACNYTTVFPCUSBG-UHFFFAOYSA-N 277.368 3.942 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)o1 762424283 GNPWRKAWCBBJCP-SRVKXCTJSA-N 286.379 3.678 30 20 CHED C[C@H](NC(=O)C(F)=C1CCCC1)c1cccc(C#N)c1 763057668 NOPUDTFVJHFIRX-NSHDSACASA-N 272.323 3.533 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCCC1)c1cccc(C#N)c1 764612178 HCIMQUPGEOKTHI-ZDUSSCGKSA-N 282.343 3.637 30 20 CHED CCON=C(Cc1cccc(OC)c1)c1ccccc1 764677407 YJRZWEWDIZDXJE-UHFFFAOYSA-N 269.344 3.679 30 20 CHED COc1cccc(C(C)=NNc2ncnc3ccsc23)c1 764834269 DLLUSYIHQIFRHL-UHFFFAOYSA-N 298.371 3.536 30 20 CHED COc1cc(F)cc(NN=C2C[C@H](OC(C)C)C2(C)C)c1 764908106 IVPZNQHYJWCEJV-HNNXBMFYSA-N 294.370 3.826 30 20 CHED CC#CCCSc1ncc(-c2ccccc2)n1C 764953521 JPKNRZWSBBBPTM-UHFFFAOYSA-N 256.374 3.593 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cccc(C(=O)O)c1 765823385 DKGRDNNJYQHLBY-BQYQJAHWSA-N 296.322 3.598 30 20 CHED CCO[C@@H]1CCCC1=NNc1cccc(Cl)c1F 766451097 UFFKVHZKJINCIE-GFCCVEGCSA-N 270.735 3.836 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(C)cc1O 767033965 NSJQGAPWIBSJGD-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C#C[C@H](OC(=O)c1cc2ccc(F)cc2s1)C1CC1 767519131 WNPDGDOFRKIERG-LBPRGKRZSA-N 274.316 3.609 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@@H]1CC=CCC1 767981654 SVVLGKRVKFFEJE-CQSZACIVSA-N 283.371 3.887 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C[C@@H]2CCC[C@H](C)C2)o1 768364013 DSOJWTSSWADXQI-QWHCGFSZSA-N 288.395 3.969 30 20 CHED Cc1noc(C(C)C)c1C(=O)OCCCCC(C)(C)C#N 768408858 GZUGPEODAXMDEG-UHFFFAOYSA-N 292.379 3.983 30 20 CHED C=CCCCN[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 769920155 MWUJFECYAIBVOU-OAHLLOKOSA-N 296.455 3.626 30 20 CHED N#CCc1cccc(NCc2ccccc2OCC2CC2)n1 771756757 QVKBXVBSPQLDAU-UHFFFAOYSA-N 293.370 3.549 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C1(F)CCCC1 772351546 VGCBVLWPYFMRAS-UHFFFAOYSA-N 290.338 3.566 30 20 CHED Brc1ccc(NN=C2CC3(CCC3)C2)cn1 772845854 VQCICDNFYKBAOE-UHFFFAOYSA-N 280.169 3.576 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1cnccc1C 773125083 MQAYWENLXOCYAF-HNNXBMFYSA-N 259.397 3.672 30 20 CHED C=C(CC)COC(=O)c1cc(C)nc2ccccc12 773431506 YEWLIGNLZSZYEG-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C=C(CC)COC(=O)c1nc(-c2ccccc2)cs1 773492534 KGRQPEALXRGGDD-UHFFFAOYSA-N 273.357 3.933 30 20 CHED COc1cc(Cl)ccc1N[C@H]1CCC[C@H](C#N)C1 774354472 AVPZGWIDCNBITD-JQWIXIFHSA-N 264.756 3.843 30 20 CHED CC(CCCC(F)(F)F)=NNCc1ccc(C#N)cc1 774395898 WDKCSYLODXCWML-UHFFFAOYSA-N 283.297 3.756 30 20 CHED C[C@H](CC1CCCCC1)/N=C\c1ccc(O)c(O)c1O 775234461 RVOAMRQRRJDOMJ-VBYYMIJXSA-N 277.364 3.581 30 20 CHED C#C[C@H](N[C@@H](C)c1oc2ccccc2c1C)[C@H]1CCCO1 775571710 JXANAXDMDYHARL-JLJPHGGASA-N 283.371 3.573 30 20 CHED CCCCC[C@@H](CC)C(=O)N(CCC#N)CC(C)C 775675970 HUXWWWGPYZHWPY-OAHLLOKOSA-N 266.429 3.991 30 20 CHED C[C@H](C(=O)OCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 775862546 GGVWVXMNLYOPHP-VIFPVBQESA-N 298.169 3.944 30 20 CHED COc1cccc2cc(/C=C/C(=O)c3cscn3)oc12 776191552 DMRMYEMLCAMBBH-AATRIKPKSA-N 285.324 3.794 30 20 CHED Cc1ccc(F)c(C(=O)O[C@H](C#N)C2CCCCC2)c1F 776394689 ADDXAVOLWAUILE-CYBMUJFWSA-N 293.313 3.903 30 20 CHED CC[C@H](NCCC(C)(C)C#N)c1ccccc1OC 776604639 DCODBLSZZBJDEQ-AWEZNQCLSA-N 260.381 3.676 30 20 CHED O=C1C(=Cc2cc(F)cc(Cl)c2)C(=O)c2ccccc21 776721912 KPGCJDHVUXDQSU-UHFFFAOYSA-N 286.689 3.942 30 20 CHED CC(C)(C)c1ccc(NN=CC2CCOCC2)cc1 779825516 WEGMYYJQNNVMJI-UHFFFAOYSA-N 260.381 3.808 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2ncco2)cc1 779951319 PVCUKUCCPNHKJA-UHFFFAOYSA-N 282.343 3.864 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C#N)cc1Cl 779985665 HITJQAFFRKZCTL-UHFFFAOYSA-N 274.751 3.734 30 20 CHED CC(Cc1ccccc1F)=NNc1ccc(C(=O)O)cc1 780185850 BXGAKVHXCSKXHS-UHFFFAOYSA-N 286.306 3.554 30 20 CHED CCCCCCCCCNC(=O)[C@]1(C)CCCOC1 781137803 JKZWLDNNKJBJGQ-MRXNPFEDSA-N 269.429 3.670 30 20 CHED C[C@@H](OC(=O)c1cccc2[nH]ccc12)c1ccc(C#N)cc1 782943060 TZMDNINVCDNKKO-GFCCVEGCSA-N 290.322 3.958 30 20 CHED C=CCCCCCOC(=O)c1cnc(CC)s1 783203179 KQZOETCJUVZHHU-UHFFFAOYSA-N 253.367 3.609 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCCSc1ccccc1 784863748 NHHFZNRGCBDGNF-INIZCTEOSA-N 294.416 3.551 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1nc([C@@H](C)SCC)no1 785759450 LGZAOCGHHCKBHF-YGRLFVJLSA-N 298.408 3.529 30 20 CHED CCCCCCCC(=O)NC(C)(C)C1CCOCC1 786337705 SYKYFFQBALDGKK-UHFFFAOYSA-N 269.429 3.668 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2ncccc2C)cc1 790191734 XJRDHTQKUQUDMY-ZDUSSCGKSA-N 283.375 3.990 30 20 CHED C#CCOc1ccc([C@@H](C)NCCC=C(C)C)cc1 790684424 YOPFNMUTBDQIIC-OAHLLOKOSA-N 257.377 3.706 30 20 CHED C=CCC1(C(=O)OCCCc2ccsc2)CCC1 791559067 VBZDGRKGDRJHPI-UHFFFAOYSA-N 264.390 3.970 30 20 CHED C#CCCCN[C@H](CCCCOC)c1ccccc1 791608937 APWLKPZXJPKKNT-QGZVFWFLSA-N 259.393 3.547 30 20 CHED CCCCCCCCCN1CCN(CC2CC2)CC1 792206939 SEMZIZAXQAGKCR-UHFFFAOYSA-N 266.473 3.765 30 20 CHED CSCCON=Cc1cccc(OC2CCCC2)c1 794573456 CPCBWMINPDIWHM-UHFFFAOYSA-N 279.405 3.722 30 20 CHED FCC[C@@H]1CCCC1=NNc1cc(F)cc(F)c1 794900754 CWKACSJBYZKTMZ-VIFPVBQESA-N 256.271 3.892 30 20 CHED CN(C)c1ccc(/C=C2\CCc3ccc(O)cc3C2=O)cc1 794960168 MUZOXUPYMIPEIU-RVDMUPIBSA-N 293.366 3.671 30 20 CHED C=CCCC(=O)OCc1cc(C)ccc1OC(F)F 795372047 RWCIXHNCWLWPHN-UHFFFAOYSA-N 270.275 3.606 30 20 CHED N#CC1(COC(=O)[C@@H](F)CC2CCCCC2)CCC1 796849305 GSKWIHQFNYKPSY-ZDUSSCGKSA-N 267.344 3.532 30 20 CHED C#CC[C@H](OC(=O)c1sccc1Cl)c1ccccn1 796964945 KMUXUWVTUSYEAP-LBPRGKRZSA-N 291.759 3.718 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C/c1ccc2ccccc2n1 798551383 RQRMDBRZKZBLSS-RDRICISKSA-N 280.371 3.719 30 20 CHED CSc1ccccc1[C@H](C)/N=C/c1cccc(O)c1O 799743085 VCDHZLOVJFUEIX-MUOOZZNISA-N 287.384 4.000 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](O)c1cc(C)cc(C)c1 800992851 UILQDVYAXCPTLM-ZMSDIMECSA-N 261.409 3.527 30 20 CHED C=C(Cl)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 804082393 ZELGPMAJYIYQTQ-UHFFFAOYSA-N 297.719 3.719 30 20 CHED CCc1ccc(CCNc2nc(Cl)c(C#N)s2)cc1 804464154 OWCGKRSLCYVILY-UHFFFAOYSA-N 291.807 3.885 30 20 CHED C#C[C@H](C)NC(=O)Nc1cccc(Sc2ccccc2)c1 806262538 KRFAYYUYHSDVQM-ZDUSSCGKSA-N 296.395 3.981 30 20 CHED O=C(/C=C/c1ccccc1C1CC1)c1ccnc(O)c1 806555749 IFYMLNSQKYIFST-BQYQJAHWSA-N 265.312 3.561 30 20 CHED C=CCOC(=O)c1ccccc1COc1ccccc1 807404317 LTIHKMMDJFQYTP-UHFFFAOYSA-N 268.312 3.608 30 20 CHED COc1ccc2c(c1F)CCC2=NNc1ccc(F)cc1 807942341 AKYMDOWWCMQKHM-UHFFFAOYSA-N 288.297 3.736 30 20 CHED Cc1cc2cc(C(=O)/C=C/c3cnccn3)oc2cc1C 809158927 YNPOPXBFTOBBBS-ONEGZZNKSA-N 278.311 3.736 30 20 CHED C#Cc1ccc(CNCc2coc3ccccc23)cc1 809620375 QQTZOSPFMGLBIH-UHFFFAOYSA-N 261.324 3.704 30 20 CHED C=CCCCCOC(=O)CCc1ccc(OC)cc1 811011853 OSVYIJLFKZTKLJ-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CC(C)c1ccc(C(=O)OCc2ccc(C#N)cc2F)nc1 811260689 IHZLUDIGGVTBBO-UHFFFAOYSA-N 298.317 3.573 30 20 CHED N#Cc1ccc2c(c1)C(=NNc1ccccc1Cl)CC2 811629467 RKLKJPINSIVAQW-UHFFFAOYSA-N 281.746 3.974 30 20 CHED CC(C)[C@@H]1CCCC(=NNC[C@@H]2CCSC2)C1 811658364 JGRONSCLKUKTOE-QWHCGFSZSA-N 254.443 3.531 30 20 CHED Cc1ccc(F)cc1C=NN[C@@H](C)COc1ccccc1 811668820 UGUNBVWOUJQHQD-AWEZNQCLSA-N 286.350 3.525 30 20 CHED Cc1ccc2c(c1)/C(=C/c1ccc(C#N)c(C)c1)C(=O)N2C 811700332 JDRDEBKOSHDCJI-YVLHZVERSA-N 288.350 3.692 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1Cl)C(C)C 812046535 LCSOPYKIJQHHKL-SWLSCSKDSA-N 292.810 3.700 30 20 CHED COc1ccc2cc(C=NOCCOC(C)C)ccc2c1 812239909 DJJASYJUWDRICJ-UHFFFAOYSA-N 287.359 3.624 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2C[C@H]2CCC)c(OC)c1 812832461 MRFIJEJDUCLSCM-ZIAGYGMSSA-N 274.360 3.765 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NOC[C@H](C)CC 813829038 BVJMEEMUGTZTTJ-OAHLLOKOSA-N 290.407 3.752 30 20 CHED C#CCCCCCC(=O)O[C@H]1CCOc2cccc(C)c21 814035482 NVWYNTQZUAIDSW-INIZCTEOSA-N 286.371 3.946 30 20 CHED CCCC(=NNc1nc2ccccc2[nH]1)c1cccnc1 814708537 IRIOXHRSUHFYDR-UHFFFAOYSA-N 279.347 3.574 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cccc(C2CC2)c1 814887052 GZTUOQCDTMCPEZ-INIZCTEOSA-N 259.349 3.831 30 20 CHED CC(CCCCCCC(=O)O)=NNc1ncccc1C 814911376 DWOHVBWOHKYRQZ-UHFFFAOYSA-N 277.368 3.603 30 20 CHED Cn1ncc2c1CC/C(=C\c1cccc(C3CC3)c1)C2=O 817342644 DYXQSOJMBJHMBB-XNTDXEJSSA-N 278.355 3.510 30 20 CHED CCOc1ccc(C(C)=NN[C@@H](C)c2ccncc2)cc1 819814828 FRAFHNMSUSBXFN-AWEZNQCLSA-N 283.375 3.555 30 20 CHED C=CCCN(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 824250355 NMMNOBPKKXKDSE-HUUCEWRRSA-N 296.455 3.530 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C#Cc1cccs1 826942354 IKSYHNGASCJMSP-YOEHRIQHSA-N 295.407 3.504 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccccc1F)C1CCCC1 829949554 ZGOKCZGVFWWPBC-SFHVURJKSA-N 287.378 3.833 30 20 CHED C#CC1CCN(C(=O)Nc2c(CC)cccc2CC)CC1 831068048 KLMVXYDSYURPTF-UHFFFAOYSA-N 284.403 3.689 30 20 CHED C#Cc1cccc(CN[C@H]2CCCOc3ccc(F)cc32)c1 834903967 UIXKOBZAKIMGKB-SFHVURJKSA-N 295.357 3.811 30 20 CHED COCCN(C)N=C1CC=C(c2ccc(Cl)cc2)CC1 834977845 QYZDTKYKVUOMRU-UHFFFAOYSA-N 292.810 3.842 30 20 CHED CC(CCC(F)(F)F)=NNc1ccc(C(=O)O)c(F)c1 835009655 AGVKXRDLOPDAPI-UHFFFAOYSA-N 292.232 3.654 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 835213522 WRZUIKQMXCOXRB-CABZTGNLSA-N 285.265 3.811 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@@]1(C)CC1(Cl)Cl 836390858 YBPQHQXLUOJPQE-ZYHUDNBSSA-N 293.238 3.614 30 20 CHED C#Cc1ccc(C(=O)N(CCC)c2ccc(CC)cc2)cn1 836850163 NDPZHIVJGLDXHD-UHFFFAOYSA-N 292.382 3.682 30 20 CHED Cc1cccc(C)c1COC(=O)[C@@]1(C#N)CC12CCCC2 837904187 BAUOWAYYZMXTCR-SFHVURJKSA-N 283.371 3.821 30 20 CHED C[C@@H](C#N)COC(=O)C(C)(C)Cc1ccc(Cl)cc1 838818228 GJTQRJOQURSIGN-NSHDSACASA-N 279.767 3.612 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNC2CC3(CCC3)C2)c1 838958604 RICBVKBZRFXQHD-INIZCTEOSA-N 284.403 3.790 30 20 CHED CC(C)Oc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 839040996 CCORKMYRSHFHGU-CZUORRHYSA-N 287.359 3.713 30 20 CHED CCC[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccn1 839063873 UGJGDDUQKXLUNQ-ZNMIVQPWSA-N 286.375 3.591 30 20 CHED CC[C@@H](CC(C)C)C(=O)Oc1ccc(C#N)cc1OC 839217937 QJDVYIZASCTLOQ-ZDUSSCGKSA-N 275.348 3.545 30 20 CHED N#CC1(CCOC(=O)CCc2ccco2)CCCCC1 839996586 KBFPWTIWMLPZMV-UHFFFAOYSA-N 275.348 3.620 30 20 CHED O=C1/C(=C/c2ccc(C3CC3)cc2)CCc2nc(O)ccc21 840716107 JDGWDNLIHMRSRC-RVDMUPIBSA-N 291.350 3.877 30 20 CHED CC(C)Cc1noc([C@H](C#N)CCc2ccccc2)n1 841734314 JYZPUGUFLCREGM-AWEZNQCLSA-N 269.348 3.508 30 20 CHED N#CC1(CCOc2ccc(Cl)nc2)CCCCC1 842035160 DQFZRSFOYJAUHO-UHFFFAOYSA-N 264.756 3.978 30 20 CHED CC(C)(C#N)OC(=O)c1csc(C2CCCCC2)n1 842322555 VGMWJTSSKAPGLG-UHFFFAOYSA-N 278.377 3.650 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CC12CCCC2)c1nc(C2CC2)cs1 842941705 SWUIMYDRNOYNJH-RYUDHWBXSA-N 286.400 3.777 30 20 CHED Cc1cc(C#N)ccc1NCC1(c2ccccn2)CCC1 846753834 AHAAGLGHSIRBOI-UHFFFAOYSA-N 277.371 3.796 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1c(C2CC2)cnn1C 849244369 ZVAPSKBGJYHCGI-FPLPWBNLSA-N 296.370 3.511 30 20 CHED Cc1cc(F)c(C(=O)OCCCC(C)(C)C#N)c(F)c1 850319006 DBWUHTRFOIEZSO-UHFFFAOYSA-N 281.302 3.760 30 20 CHED CCCC[C@](C)(F)C(=O)[C@H](C#N)c1nc(C)cs1 850737368 UJIOLWRBGKEZGO-GWCFXTLKSA-N 268.357 3.546 30 20 CHED CCC[C@@H](C(=O)OC[C@@H](C)C#N)c1ccc(Cl)cc1 850900667 GCPVVWARAXSJMI-SMDDNHRTSA-N 279.767 3.927 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ccnn1C(F)F 851142009 FGVGEHOVLGEZTB-ZYHUDNBSSA-N 284.306 3.570 30 20 CHED C=CCCN(Cc1conc1CC)OCc1ccccc1 851971718 SBTCBUYDEIIOQK-UHFFFAOYSA-N 286.375 3.747 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1c[nH]c2cc(C)ccc12 856374150 PVYPLHCZZAUCNE-UHFFFAOYSA-N 284.403 3.880 30 20 CHED CCOc1cncc(/C=C2/CCc3sccc3C2=O)c1 857202840 UWVQIVOUQIFFJF-GHXNOFRVSA-N 285.368 3.754 30 20 CHED CCCc1ccc(C=NN[C@H]2CCOC(C)(C)C2)s1 857209805 OPDZWOKHUDRCRK-LBPRGKRZSA-N 280.437 3.582 30 20 CHED C=C1CCN(C(=O)Nc2c(C)cc(C)cc2C)CC1 864254487 PSVTZSBBYHNKRC-UHFFFAOYSA-N 258.365 3.796 30 20 CHED CC[C@@H](C)NN=C(C)CCc1cncc2ccccc12 872369047 ZIOOUZPEZANNCR-CYBMUJFWSA-N 269.392 3.931 30 20 CHED Clc1ccc(NN=Cc2ccc(-n3cccn3)cc2)cc1 873830695 IDVLGPYKBKBXIE-UHFFFAOYSA-N 296.761 3.972 30 20 CHED C[C@H](CC(=O)N(C)c1ccc(C#N)c(Cl)c1)C1CC1 876166259 OLXQODPPZNZTBF-SNVBAGLBSA-N 276.767 3.611 30 20 CHED C#CCCCCCCNCCCc1nc2ccccc2[nH]1 876984743 KSQIFMTZDQMTGG-UHFFFAOYSA-N 283.419 3.669 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1c1ccccc1OC 878692404 YUWPIQMGPPINQH-HNNXBMFYSA-N 287.403 3.961 30 20 CHED C=CC(C)(C)CC(=O)NC(C)(C)c1nc(C)c(C)s1 880261758 MHCMCHWEBCSWKD-UHFFFAOYSA-N 280.437 3.714 30 20 CHED C#CCN(C(=O)/C=C(\C)Cl)[C@H]1CCCc2ccccc21 887230409 NLVKKTHJRUYIJI-DBTPVHCXSA-N 287.790 3.668 30 20 CHED C[C@H]1C[C@H](CC(=O)N(CC#N)c2ccccn2)CC(C)(C)C1 892465222 STKDYIRGJKROHX-LSDHHAIUSA-N 299.418 3.791 30 20 CHED Cc1cc(C#N)ccc1N1CCC[C@@H]([C@H]2CCCCO2)C1 894577877 LZNFOMXRUIFJOT-SJLPKXTDSA-N 284.403 3.652 30 20 CHED N#Cc1cnc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)s1 896489047 LQOCHVMZULGGOG-WCFLWFBJSA-N 289.404 3.560 30 20 CHED CCCCCCCCCC(=O)NCc1nc(C)c(C)[nH]1 896926600 FVLCTHHXTVEULB-UHFFFAOYSA-N 279.428 3.783 30 20 CHED C[C@H]1CC(NN=C2CCC(C3CCC3)CC2)C[C@H](C)O1 901299788 OTBWBFNCPIHXBT-QNIGDANOSA-N 278.440 3.878 30 20 CHED CC[C@H](NCC1CCSCC1)c1cccc(C#N)c1 902802640 PWIBKRQIKCDRHR-INIZCTEOSA-N 274.433 3.742 30 20 CHED CC[C@H](N[C@H](C)c1nccn1CC)c1cccc(C#N)c1 903010954 UMBBGXLDFFGNJK-CJNGLKHVSA-N 282.391 3.577 30 20 CHED CC(C)(C#N)CN[C@H]1CCSc2ccc(F)cc21 903099807 ARQUPGXMMYPBOZ-LBPRGKRZSA-N 264.369 3.502 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccsc1C#N 908225195 OAHLZEQUPGNVAM-RYUDHWBXSA-N 290.432 3.907 30 20 CHED CCOC1CC(CC(=O)OCCCCC2(C#N)CCC2)C1 909227308 SYBHJTFNDNYKFA-UHFFFAOYSA-N 293.407 3.599 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C(C)=O)c(C)c2)C1 912389166 QELKMHQGVGCQKJ-OAHLLOKOSA-N 285.387 3.626 30 20 CHED CCCc1ccc(C(C)=NNc2cncc(Cl)n2)cc1 914556632 CXVYKGKLTDOWFH-UHFFFAOYSA-N 288.782 3.919 30 20 CHED CC(=NNc1cncc(Cl)n1)c1cc2ccccc2o1 914559948 KMFACHIDYZMGKQ-UHFFFAOYSA-N 286.722 3.712 30 20 CHED CCCCCCCOc1cccc(C(=O)N(C)C)c1 915667623 WTXVJQDTUDHNKK-UHFFFAOYSA-N 263.381 3.738 30 20 CHED CN(C)c1ccc(C=NNc2nccc3sccc23)cc1 915980516 SGVOYYZTFPUWAT-UHFFFAOYSA-N 296.399 3.808 30 20 CHED CCCCCCCCC(=O)N[C@@H]1COc2ccccc2C1 917138309 OKUJHOXQIBHGPU-INIZCTEOSA-N 289.419 3.857 30 20 CHED Cc1cccc(N(C)C(=O)/C=C\c2ccccc2C#N)c1C 917829817 IQTVISJQTTZFOK-QXMHVHEDSA-N 290.366 3.851 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1cccnc1 918135758 KPSIGCURCVENMX-HNNXBMFYSA-N 291.439 3.877 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)/C=C\c1ccco1 918169385 FGIKKMXXDCAFHJ-KTKRTIGZSA-N 285.318 3.647 30 20 CHED O=C1/C(=C/c2ccccc2F)COc2c(F)cc(F)cc21 920066062 JJBIGDUOLNQZGH-BJMVGYQFSA-N 290.240 3.763 30 20 CHED CCCn1cccc1C=NN[C@H](C)c1ccccc1 920382830 PKCCMQQXZNTKQK-CQSZACIVSA-N 255.365 3.583 30 20 CHED CCCCCC[C@H](C)NC=C1C(=O)CC(CC)CC1=O 920976617 MAXLIMKOQKENDU-LSLKUGRBSA-N 279.424 3.777 30 20 CHED CCc1cc(CN(C)C[C@H](C)C#N)c(O)c(C(C)(C)C)c1 921030815 SVPNTAYQEJBIQL-CYBMUJFWSA-N 288.435 3.844 30 20 CHED CCOc1ccc(C=Nc2cccc(F)c2F)c(O)c1 921260632 CKLMDBAAAHUIEJ-UHFFFAOYSA-N 277.270 3.820 30 20 CHED COc1ccccc1C(C)(C)CN[C@@H](C)CC(C)(C)C#N 924854608 FOJUEZUQJJXNPR-AWEZNQCLSA-N 288.435 3.891 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(-c2csnn2)cc1 926049142 MNYVPJBIRFLTFL-NSHDSACASA-N 286.404 3.945 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc(Cl)cc1F 926220539 WZEBFYYKESIUHM-SNVBAGLBSA-N 268.763 3.897 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1nccn1-c1ccccc1 926428018 NROOXDQTKOBWCA-GJZGRUSLSA-N 296.418 3.851 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(c2ccccc2)CC1 929723246 GZBGGWCSHCLMOD-HNNXBMFYSA-N 271.404 3.995 30 20 CHED CC1(NC(=O)Nc2sccc2C#N)CCC(F)(F)CC1 931834460 NJTXHYVJRQKHIS-UHFFFAOYSA-N 299.346 3.709 30 20 CHED C=C[C@@H](CC)CC(=O)NCCc1csc(C(C)(C)C)n1 935161556 GDIGRHFWSDHBNU-LBPRGKRZSA-N 294.464 3.702 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1cscn1 1116476534 ZUDVZEIBFYEEQW-FNORWQNLSA-N 255.342 3.528 30 20 CHED N#CCC[C@@H](C#N)CN[C@H](C1CCCCC1)C(F)(F)F 1120596067 APDTUHTVRHHQIB-WCQYABFASA-N 287.329 3.531 30 20 CHED N#C[C@H](C(=O)C12CCC(CC1)CC2)c1nc2ccccc2o1 1122519556 YFZXYLSNOSBBLF-YNAXMUEKSA-N 294.354 3.974 30 20 CHED C=C(CC)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 1123835977 CNNHTZUTIKMFNW-UHFFFAOYSA-N 283.293 3.777 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H](CC#N)c2ccccc2)C1 1131275904 HQKCIZISRMSCSJ-BFYDXBDKSA-N 284.403 3.721 30 20 CHED CCO[C@H]1C[C@@H](N(C)CC2(CC#N)CC2)C1(CC)CC 1167820273 SBIQOTYOHIYNSF-CABCVRRESA-N 278.440 3.596 30 20 CHED N#Cc1cc(NCCC2CCC(F)(F)CC2)ccn1 1187861767 QAHZZDRXBBKWRV-UHFFFAOYSA-N 265.307 3.581 30 20 CHED Cc1ccc(S[C@@H](C)c2ccc(C#N)cc2)nn1 1188830846 MWHXMOMXGZOZSO-NSHDSACASA-N 255.346 3.510 30 20 CHED CC(C)[C@@H]1CN(Cc2cccc(F)c2C#N)[C@@H]1C(C)C 1205789156 KTPBMEUEKDGWDG-DOTOQJQBSA-N 274.383 3.810 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC2(CC(C)C)CC2)c1 1206305834 PEAXJOLMSDBPOJ-UHFFFAOYSA-N 285.391 3.815 30 20 CHED C[C@H](CCCC(F)(F)F)Nc1cccc(CC#N)n1 1255779384 PUAJKIGVMJCFSE-SNVBAGLBSA-N 271.286 3.681 30 20 CHED C=CCCC[C@H](N)c1nc([C@@H]2CCCc3ccccc32)no1 1262481071 GAQUFWHXTDOMSA-CVEARBPZSA-N 297.402 3.894 30 20 CHED C=C(C)CCC(=O)N(C)c1nc2ccccc2s1 1262694131 JNFJRNKCPSUIDV-UHFFFAOYSA-N 260.362 3.615 30 20 CHED C[C@@H](C(=O)N(C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 1265385777 PPUSRDHYISFDFG-GFCCVEGCSA-N 298.773 3.978 30 20 CHED C=C(CNc1nc2ccccc2nc1F)c1ccccc1 1307134301 AYQGIFJTVOXLMX-UHFFFAOYSA-N 279.318 3.894 30 20 CHED COc1cc(C#N)ccc1CN1CCCc2c(C)cccc21 1307467978 PWDOJQPYWJCHAH-UHFFFAOYSA-N 292.382 3.828 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@@H]2CCCC[C@@H]2C1 1318531710 PSQCXZAXBCTHES-VHSXEESVSA-N 281.812 3.685 30 20 CHED C(=NNCC1CCOCC1)c1ccc(-c2ccccc2)cc1 1318599161 DZQMIYKZGDWBFQ-UHFFFAOYSA-N 294.398 3.704 30 20 CHED C[C@@H]1COc2ccccc2[C@H]1OC(=O)c1cc(C#N)cs1 1320242366 OQDXFCKKYUSOKS-BMIGLBTASA-N 299.351 3.546 30 20 CHED C=C[C@@H](COC)N[C@@H]1CCSc2c(Cl)cccc21 1320592390 QGUXINKOVCERJB-GXFFZTMASA-N 283.824 3.668 30 20 CHED Cc1ccc(CSCCOc2ccc(C#N)cc2)nc1 1320670127 NWAFEKREGQKTEO-UHFFFAOYSA-N 284.384 3.574 30 20 CHED C=CCCCCNC(=O)Nc1ccn(C2CCCCC2)n1 1320987181 ORNIMUVMUCRXBQ-UHFFFAOYSA-N 290.411 3.866 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1sccc1Cl 1321225170 CJWBLQXITRIUAQ-UHFFFAOYSA-N 291.759 3.939 30 20 CHED Cc1ccc(N(CCO[C@@H](C)C#N)Cc2ccccc2)cc1 1321257563 JGLSATPNDXRZOF-KRWDZBQOSA-N 294.398 3.930 30 20 CHED Cc1cccc2cc(C=NNCC(C)C)c(Cl)nc12 1323367285 IIYGWSFWNYRTKP-UHFFFAOYSA-N 275.783 3.776 30 20 CHED CC(C)N(CCc1ccccc1)C(=O)CCCCCC#N 1323610583 SWKGRTRCHKOSKY-UHFFFAOYSA-N 286.419 3.940 30 20 CHED C=C(Cl)COC(=O)c1c(C)c(C)nc2ccccc12 1326600152 LAXUQQYFNVGGQT-UHFFFAOYSA-N 275.735 3.761 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(-c2cnco2)cc1 1334169990 HEVGVZGZUIGZRX-GFCCVEGCSA-N 270.332 3.882 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 1335790619 LDUAAXVHQQPXLZ-HNNXBMFYSA-N 279.330 3.985 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccnc(SCC)c1 1337681473 XURZFFQJSUOXPC-CQSZACIVSA-N 290.432 3.764 30 20 CHED C=C(C)CCC(=O)N1CCSC2(CCCCC2)C1 1338902419 LYSKKPSKLJJBTF-UHFFFAOYSA-N 267.438 3.621 30 20 CHED CC(C)c1ccc(NC(=O)c2ccsc2C#N)cc1 1348750130 VOCLSNHYWBXDEE-UHFFFAOYSA-N 270.357 3.995 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CCC[C@H](C)C1 1350357779 KLUFPNHVLADJTD-SMDDNHRTSA-N 257.333 3.602 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(CC#N)cc2)s1 1351279595 YDIRFWXHOUAHLL-UHFFFAOYSA-N 270.357 3.683 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)c1cc(C#N)ccc1F 1353385101 UHEOFGVBJUWZDE-GFCCVEGCSA-N 282.318 3.531 30 20 CHED CC(C)CNc1c(C#N)cnc2c(Cl)cccc12 1458062604 RXHSGYLIIPJWPH-UHFFFAOYSA-N 259.740 3.828 30 20 CHED CCC[C@H]1CCCC[C@H]1CNc1ccc(C#N)cn1 1472806201 LOKWSPUYVYIKQB-GJZGRUSLSA-N 257.381 3.972 30 20 CHED C=C(CC)C(=O)Nc1ccccc1SC[C@@H](C)C#N 1527680556 PWTHJLMTMGIKNP-NSHDSACASA-N 274.389 3.843 30 20 CHED CCOc1ccc(NC(=O)c2ccc(C)c(C#N)c2)c(F)c1 1529035224 SHHGMQFEHBVGJJ-UHFFFAOYSA-N 298.317 3.657 30 20 CHED Cc1cc(C)c(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(C)c1 1535479734 YCHDDHVTXQPGHG-GJZGRUSLSA-N 271.360 3.851 30 20 CHED Cc1cccc([C@@H](C)CNc2ncc(C#N)cc2F)c1 1559114212 LYDBVQHOGNPTQL-LBPRGKRZSA-N 269.323 3.616 30 20 CHED CCOc1ccc(Cl)cc1CN(CC)C[C@H](C)C#N 1560694279 YFICJGBFVQRYSO-GFCCVEGCSA-N 280.799 3.720 30 20 CHED CCOc1ccc(C#N)cc1NC1CCC(C)CC1 1560743901 BRENHCMOSGNQII-UHFFFAOYSA-N 258.365 3.948 30 20 CHED C=C(C)[C@H](N[C@H](CC(C)C)C(=O)O)c1ccc(F)c(F)c1 1588534756 IRVFKZZKWLMELP-CABCVRRESA-N 297.345 3.671 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](C(=O)O)c1ccccc1F 1588777963 NYRYFEDZRPSNPB-IUODEOHRSA-N 279.355 3.676 30 20 CHED N#CC1(CN2CCCSc3cc(Cl)ccc32)CC1 1620499362 NFQVYTREOOBIFG-UHFFFAOYSA-N 278.808 3.946 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCCc1ccc(F)c(F)c1 1621307458 MHUORKQIGLKVDV-SFHVURJKSA-N 298.336 3.656 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1cccc(C#N)c1 1644767056 PJELGAZKBIEQCI-AWEZNQCLSA-N 278.355 3.654 30 20 CHED CCN(Cc1cccc(C)c1Br)C[C@@H](C)C#N 1653251674 IEVLVHZDDWUCHB-NSHDSACASA-N 295.224 3.739 30 20 CHED Cc1ccnc(N[C@@H]2CCC(C)(C)C[C@H]2C)c1C#N 1655219671 MFSYFIVUWFDTCY-TZMCWYRMSA-N 257.381 3.888 30 20 CHED C=C(Br)CN1CCC=Cc2ccccc21 1658263959 QUHZVNKRNWBWOP-UHFFFAOYSA-N 264.166 3.819 30 20 CHED CCC1(CC)CCCN(Cc2cc(C#N)ccn2)CC1 1658267571 FJAYSGDYPZBVBW-UHFFFAOYSA-N 271.408 3.746 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC2(c3cccc(F)c3)CCC2)C1 1660668947 SXZIBTSYWSWJCI-RHSMWYFYSA-N 286.394 3.919 30 20 CHED C[C@@H]1CC[C@@H](C)[C@@H](NCc2cc(C#N)ccc2F)C1 1665663035 UVOYMMLBSUVTQZ-HSMVNMDESA-N 260.356 3.612 30 20 CHED CCCCCCCC(=O)N(C)[C@H](CO)c1ccccc1 221690899 JYKSFXMGDLRPJC-MRXNPFEDSA-N 277.408 3.539 30 20 CHED N#Cc1ccc(-c2cccc(CNC3CC3)c2)s1 50266996 ZBXZFKZROTYJBL-UHFFFAOYSA-N 254.358 3.539 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)c1cccs1 24042573 NXYJLJRQJAUPKC-UHFFFAOYSA-N 293.731 3.501 30 20 CHED CCCCCCCC(=O)Nc1ccc(F)c(N)c1 59082181 CRRDOGPUCJGDSF-UHFFFAOYSA-N 252.333 3.707 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1[N+](=O)[O-] 106586588 NXJZVEXFZXEMAZ-SOFGYWHQSA-N 297.310 3.808 30 20 CHED CN1N=C(c2ccccc2)CS/C1=N/Cc1ccccc1 105785933 CXIRIYXTJHFDIS-ISLYRVAYSA-N 295.411 3.626 30 20 CHED CC(=O)c1ccccc1OCCOc1ccc(C#N)cc1C 171071301 SKANZCCOJAHOCP-UHFFFAOYSA-N 295.338 3.527 30 20 CHED O=C(/C=C/C1=Cc2ccccc2OC1)c1ccccc1 59873175 SSPAHETVRSBOHU-ZHACJKMWSA-N 262.308 3.902 30 20 CHED CCCC1(CNC(=O)Nc2ccc(C#N)cc2)CCC1 343470763 XZUOHPGICWHRFL-UHFFFAOYSA-N 271.364 3.650 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2nccs2)cc1 64660994 XGAJAQSIHZIUJC-LBPRGKRZSA-N 260.387 3.679 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](C)Cc1cccc(F)c1 173913290 GMHOTCMNUGGTPJ-AWEZNQCLSA-N 277.383 3.819 30 20 CHED C[C@H](CC#N)OC(=O)c1ccccc1Oc1ccccc1 113690941 QIIPCOMEODQSHZ-CYBMUJFWSA-N 281.311 3.938 30 20 CHED CCOCc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 173895626 SFAKWYZJQRJIHD-HNNXBMFYSA-N 294.398 3.946 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c(C)o1 110843171 LQPSQGUWBZYMJD-GOSISDBHSA-N 296.370 3.541 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CCCc2c(O)cccc21 302891341 PQIQBERANLYAQG-INIZCTEOSA-N 289.338 3.625 30 20 CHED C=CC[C@H](C)NC(=O)CCCCc1ccc(C)cc1 116855453 NXOLHLGAQHNISB-HNNXBMFYSA-N 259.393 3.789 30 20 CHED N#CCCCCN[C@H]1CCSc2ccc(F)cc21 178640205 HZLNCFSFRYPEPH-ZDUSSCGKSA-N 264.369 3.646 30 20 CHED CN(CC[C@H]1CCCO1)c1cc(C#N)ccc1C(F)(F)F 302607920 BBNAOMWMVYJPOK-GFCCVEGCSA-N 298.308 3.582 30 20 CHED C#CCCSc1nnc(C[C@H](C)c2ccccc2)o1 178162617 OEOQZPIXZHIMLG-LBPRGKRZSA-N 272.373 3.531 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(CCC(F)(F)F)c1 176962752 LDYKHPAECKLZKP-UHFFFAOYSA-N 284.281 3.670 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 1261437913 OXDQJGATYJBVGE-CQSZACIVSA-N 289.423 3.560 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCCCC1)c1ccc(C#N)cc1 175771537 QQOBFBTYMNQNRY-CYBMUJFWSA-N 282.343 3.637 30 20 CHED CC(C)(C)SCCOc1ccc(C#N)c(F)c1 302384747 FCKKCRVCKRRYAE-UHFFFAOYSA-N 253.342 3.608 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](CC)c1ccc(Cl)cc1 69336710 AMWOGCDFXGBNKS-SWLSCSKDSA-N 295.810 3.889 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)c2ccccc21 60977003 CTUOXVHRARKHFX-GFCCVEGCSA-N 277.327 3.714 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]1Cc1ccccc1 121753315 GOPCCHICIBJSET-SFHVURJKSA-N 283.415 3.989 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 121709585 JAGBEFFUKONZMI-OWCLPIDISA-N 271.404 3.851 30 20 CHED Cc1cccc(C(=O)Nc2ccc(F)cc2OCC#N)c1C 120699594 YWZJYJJVYFHSIZ-UHFFFAOYSA-N 298.317 3.597 30 20 CHED C[C@@H](CNc1ccc(Cl)cc1C#N)N1CCC[C@@H](C)C1 303173859 HDDCXQRQEONTGB-OLZOCXBDSA-N 291.826 3.744 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C(C)C 171919294 ABCDQPQPCVXXPM-AWEZNQCLSA-N 272.392 3.589 30 20 CHED N#Cc1cccc(NCCc2csc3ccccc23)n1 301259112 FMMKNTTZLUGLNP-UHFFFAOYSA-N 279.368 3.823 30 20 CHED CC(C)(C#N)CN[C@@H]1CCSc2c(F)cccc21 122269132 JXDCMTOELSWTAC-GFCCVEGCSA-N 264.369 3.502 30 20 CHED C#Cc1cccc(N(C)Cc2coc(-c3ccccc3)n2)c1 303219720 UXKLLAUGAYKZHM-UHFFFAOYSA-N 288.350 3.959 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 128978278 VAQBAPUQEFUUBP-XUJVJEKNSA-N 290.794 3.847 30 20 CHED C=CCC[C@H](O)CNC1(c2ccc(F)cc2)CCCC1 126967886 MKHSZJVRDGWLHE-INIZCTEOSA-N 277.383 3.512 30 20 CHED CC(=O)Nc1ccc(C)c(NCc2ccc(F)c(C#N)c2)c1 124015201 RBZXBQOBXLWNRS-UHFFFAOYSA-N 297.333 3.576 30 20 CHED C[C@H](C#N)Sc1nnc(-c2cccc3ccccc23)o1 126932741 ZWKJCTMEMKQNBU-SNVBAGLBSA-N 281.340 3.894 30 20 CHED CCCCCCCCOC(=O)[C@H]1CCC(=O)C[C@H]1C 127487417 CBSNZXVCWVJXMT-HIFRSBDPSA-N 268.397 3.895 30 20 CHED C#CCCCCC(=O)Nc1c(F)cc(Cl)cc1F 122191686 QBXIPOSVVVKKCM-UHFFFAOYSA-N 271.694 3.750 30 20 CHED N#CCOc1ccc(N[C@H]2CCCc3ccc(O)cc32)cc1 319638771 GZFLISRKFBUDSP-SFHVURJKSA-N 294.354 3.784 30 20 CHED C=C(C)COc1cc(CN(C)[C@H](C)C2CC2)ccc1OC 507434523 RXFUEZYYBIUJQB-CQSZACIVSA-N 289.419 3.880 30 20 CHED CCOc1ccc(C(F)(F)F)cc1N[C@@H](C#N)CC 122218928 ULUZTRKJMVOEBU-SNVBAGLBSA-N 272.270 3.818 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H](CC)SC)c1ccc(F)c(F)c1 186033356 DKVPVQJBCLCQSD-KGLIPLIRSA-N 299.386 3.840 30 20 CHED C=C(CC)CNc1ccc(F)cc1OC1CCOCC1 506235213 MTBWIWDWNKTLER-UHFFFAOYSA-N 279.355 3.762 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)C1(C#N)CCC1 121439642 ZKXIBTPYRZDXSU-CYBMUJFWSA-N 262.397 3.545 30 20 CHED C=CCN(Cc1cccs1)Cc1ccc(C#N)cc1OC 120497371 NZHWBLUQZCODBF-UHFFFAOYSA-N 298.411 3.817 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](C(=O)O)[C@H](C)C1 313740402 BVXOOUCOKKTSPK-CABCVRRESA-N 297.439 3.696 30 20 CHED N#CCC[C@H](N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 181577862 YLWAZXGNPJKKFJ-MXASKKJJSA-N 254.377 3.810 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H](CC)CSC 181461079 PHLGAQXIJZGTGD-LBPRGKRZSA-N 298.477 3.587 30 20 CHED N#Cc1cccc(SCc2cnc(Cl)s2)c1 121804158 JHPLZQPMYWPXAY-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C[C@H](C#N)CNCc1cccc(OCc2ccccc2F)c1 183839121 PGINXCPTUCAWQH-CQSZACIVSA-N 298.361 3.654 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(OC)c(Cl)c1 125716701 RWVSRKLFAAXPSV-GFCCVEGCSA-N 283.799 3.592 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CC=CCC2)cc1 72678972 BAHZTLODWLPAFQ-OAHLLOKOSA-N 298.386 3.688 30 20 CHED C=C(C)CCN1CCC[C@@H]1c1cccc(N(C)C)c1 509704265 LNSYAEGQULBSJS-QGZVFWFLSA-N 258.409 3.856 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCCCCC1 181379681 FYNYMRSAZAYOMC-CQSZACIVSA-N 252.402 3.707 30 20 CHED CCC(CC)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416111040 UECBOUPJZUTUFJ-KRWDZBQOSA-N 284.403 3.878 30 20 CHED CC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(OC)cc1 185753768 NWPPFTNKSGQZKA-JLJPHGGASA-N 272.392 3.818 30 20 CHED C=C(C)CCc1noc(Cc2c(C)cccc2C)n1 508677319 GNUFUWVGAZIZFT-UHFFFAOYSA-N 256.349 3.786 30 20 CHED C=CCc1cc(-c2nc(C(C)C)no2)cc(OC)c1OC 130676143 UWNNFKSGELQNHC-UHFFFAOYSA-N 288.347 3.606 30 20 CHED CCC(CC)S[C@H]1CCN(c2ccc(C#N)cc2)C1=O 131777081 PLRKOOKUGSXHOZ-HNNXBMFYSA-N 288.416 3.585 30 20 CHED C#CCOc1ccccc1NC(=O)N(C)[C@@H](C)c1ccco1 188033622 AUFCBXDROJZTCP-ZDUSSCGKSA-N 298.342 3.517 30 20 CHED CC[C@H](CC#N)NCc1cc(C)c(OC(F)F)c(C)c1 184097857 ROQDUFXHCXJRCI-CYBMUJFWSA-N 282.334 3.687 30 20 CHED C[C@H](C#N)Oc1ccccc1NCCCOc1ccccc1 182545839 VRQCLBOXJCKUET-OAHLLOKOSA-N 296.370 3.858 30 20 CHED CC(C)[C@H](/C(O)=N/[C@H]1CCc2c[nH]nc2C1)c1ccccc1 329866500 BATOWZITJFAFEW-RDJZCZTQSA-N 297.402 3.663 30 20 CHED C[C@@]1(NC(O)=Nc2cccc3ccccc23)CCCOC1 329144496 MZQDUUQMXZGWEY-QGZVFWFLSA-N 284.359 3.544 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cn(C)nc1C 414310093 VZNMWORIUSIAPO-PBHICJAKSA-N 283.419 3.567 30 20 CHED O/C(=N/Cc1cccc(-c2ncc[nH]2)c1)C1[C@@H]2CCC[C@@H]12 329431379 IMHGEYMQUPNMLL-ZIAGYGMSSA-N 281.359 3.579 30 20 CHED CCCC1CCC(NC(=O)C(C#N)(CC)CC)CC1 44766739 KGRKYFNHSMHORU-UHFFFAOYSA-N 264.413 3.791 30 20 CHED C=C(C)[C@H](NC[C@H](CC)OC)c1ccc(F)c(F)c1 419283830 ZPEYHUVRWDJAAJ-WFASDCNBSA-N 269.335 3.597 30 20 CHED C[C@@H]1Cc2ccccc2N(Cc2cc(C#N)cs2)C1 507719162 LGHBQNYHPRARDZ-GFCCVEGCSA-N 268.385 3.819 30 20 CHED CCCOc1ccc(CNc2cccc(C#N)c2)cc1OC 132876723 YKRMQDOCRUNSFA-UHFFFAOYSA-N 296.370 3.968 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Br)co1 457723434 YDAJVAKDGGSUAL-SECBINFHSA-N 286.169 3.517 30 20 CHED C=CC[C@H](C(=O)Nc1cnn(CC(C)C)c1)c1ccccc1 427243685 RXNMFBQIQWRTKF-KRWDZBQOSA-N 297.402 3.838 30 20 CHED C=CCC[C@H](NCCc1nc2c(s1)CCCC2)C1CC1 89667190 QCNHQOLYGQNHNM-AWEZNQCLSA-N 290.476 3.899 30 20 CHED C#CCCCC(=O)N[C@H](C)c1cccc2ccccc12 192040638 QUABXADWDWMBHX-CQSZACIVSA-N 265.356 3.821 30 20 CHED C=C(C)CN(CC)C(=O)c1[nH]c2ccccc2c1Cl 49033235 FGNUTCWPRDHECB-UHFFFAOYSA-N 276.767 3.860 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2CCCC(C)(C)C2)C1 329013260 PFSGQFOIXQDYHR-TUAOUCFPSA-N 266.385 3.667 30 20 CHED CCC[C@@H](CC)NC(=O)N[C@@H](CCC#N)c1ccccc1 132445424 PYEHRFWYRHNUCY-CVEARBPZSA-N 287.407 3.909 30 20 CHED Cc1ccc(Cl)cc1C(=O)N(CC#N)c1ccccc1 510623123 VJGMBIFKICFRHC-UHFFFAOYSA-N 284.746 3.819 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCCCC1(C)C 510207749 CCSTXYOZBQLGFO-HNNXBMFYSA-N 270.376 3.565 30 20 CHED N#Cc1ccc(C[S@](=O)c2ccc3c(c2)CCCC3)cc1 422098668 MXHNXSDOXHWILI-NRFANRHFSA-N 295.407 3.745 30 20 CHED C#CCCCCNc1ncc(C(F)(F)F)cc1Cl 229738346 FBJORGNEUPARRD-UHFFFAOYSA-N 276.689 3.969 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2)C1 192623197 QAFMPXGXIVULGT-TZMCWYRMSA-N 282.309 3.877 30 20 CHED N#C[C@H](NC(=O)[C@H]1CCC[C@H](F)C1)c1ccccc1Cl 424665072 KYSYUJWLIPOUMC-MJVIPROJSA-N 294.757 3.549 30 20 CHED N#Cc1cccc(NC(=O)CCCC(=O)c2ccccc2)c1 41336411 RAWPDGYEYNKDLB-UHFFFAOYSA-N 292.338 3.550 30 20 CHED C[C@H]1CCCC[C@H]1OCCN(CCC#N)Cc1ccco1 81517767 BIPHAKWHMFKOQO-DOTOQJQBSA-N 290.407 3.591 30 20 CHED Cc1ccccc1S(=O)(=O)/N=C(\O)C(C)(C)CC(C)C 84692184 JNCGHEAFKYJQHS-UHFFFAOYSA-N 297.420 3.713 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(O)c(COC(C)C)c1 519731577 LENRHKUAQUBFTB-QGZVFWFLSA-N 291.391 3.858 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H](C)C(F)(F)F 425671960 JLTAIWIEHGYVRJ-JTQLQIEISA-N 286.297 3.878 30 20 CHED CCN(C[C@H]1CCC=CO1)[C@@H](C)c1ccc(C#N)cc1 193717911 ACSUHAIJKLBBHO-WMLDXEAASA-N 270.376 3.634 30 20 CHED COCCC1(C/N=C(/O)N[C@@H]2CC[C@@H](C)C2)CCCCC1 331172932 IUTCOKUWPRQULK-HUUCEWRRSA-N 296.455 3.666 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(C#N)cc2F)C1 336536235 UWNZDHDMRDUJQB-SCLBCKFNSA-N 295.361 3.675 30 20 CHED C=CCCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 338661268 FANZXXDFHKCNFY-UHFFFAOYSA-N 294.354 3.844 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N[C@@H]1CC[C@H](C#N)C1 424965485 JATUCLCAMNGFLJ-CAOSSQGBSA-N 296.414 3.784 30 20 CHED C#CCCCC(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 190719495 IFUPJHGKGGQCNO-INIZCTEOSA-N 277.314 3.502 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCCC(F)(F)C1 337489912 MFFIGQYFUSSHHY-ZDUSSCGKSA-N 286.366 3.600 30 20 CHED CC[C@H](C)n1ncc(NC(=O)c2cccc(C#N)c2C)c1C 338147815 LBUFTNSFVRPKLH-NSHDSACASA-N 296.374 3.595 30 20 CHED CCC1(CC)CCC(N/C(O)=N/Cc2nccs2)CC1 331016984 LZTKRXWKUKUMSU-UHFFFAOYSA-N 295.452 3.896 30 20 CHED C=C(C)COCCN[C@@H](c1ccc(OC)cc1)C(C)C 91397663 RPWUZOUVIJTTHE-QGZVFWFLSA-N 277.408 3.575 30 20 CHED C=C(CNC(=O)N(CC1CCC1)CC1CC1)c1ccccc1 512662448 XJJXOMCFERXSPO-UHFFFAOYSA-N 298.430 3.922 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cc(F)cc(Cl)c1 334877195 RQSKJGCEMMEHLY-UHFFFAOYSA-N 278.670 3.505 30 20 CHED C=CCn1c(CCCC)nnc1N1CCCCC[C@H]1C 516216905 ZMFPVIWXLOPALB-CQSZACIVSA-N 276.428 3.576 30 20 CHED COc1cc(N=C(O)NC2(C)CCCC2)ccc1Cl 331206823 DUTLSXAFDOPIPI-UHFFFAOYSA-N 282.771 3.816 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 98007533 QSTAPGVWVVZXMN-KTKRTIGZSA-N 292.294 3.972 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)NCC#Cc1cccc(F)c1 513125681 IRTNEHVBPPBUPA-WBVHZDCISA-N 287.378 3.510 30 20 CHED CC1=C(C(=O)N[C@H](CCC#N)c2ccccc2)CCC1 439676287 WTGCKXDEPMFENQ-MRXNPFEDSA-N 268.360 3.648 30 20 CHED N#Cc1csc(C(=O)N2CCCC23CCCCC3)c1 334210783 DUDXRHVPLPAVRY-UHFFFAOYSA-N 274.389 3.559 30 20 CHED CCc1occc1C(=O)Nc1sc(C)c(C)c1C#N 336421248 XMWRIXVHZFBLQE-UHFFFAOYSA-N 274.345 3.644 30 20 CHED N#Cc1cccc(C2(NCc3cnc4ccccc4c3)CC2)c1 337185825 PBXHTZPTKHSYIP-UHFFFAOYSA-N 299.377 3.885 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1cc2ccccc2s1 337404550 ISEYGVVLJWDZNT-SNVBAGLBSA-N 295.367 3.592 30 20 CHED N#Cc1c(CSc2ccccc2O)cn2ccccc12 50046504 VQNATGCMWNRARH-UHFFFAOYSA-N 280.352 3.809 30 20 CHED Cc1c(NCc2cccc(C#N)c2F)cccc1[N+](=O)[O-] 341821682 ZUKXWQPBHMVELT-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@H](CCC#N)c2ccccc2)C1 246894128 RDPSQXQHCTULFG-BFYDXBDKSA-N 284.403 3.974 30 20 CHED C=C(C)[C@H](N[C@@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 249160930 YVHVAIYHVWJOLG-XZJROXQQSA-N 281.346 3.597 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2cccc(C#N)n2)C1 602474781 RZTFCMCGKLZJPR-ACJLOTCBSA-N 295.361 3.675 30 20 CHED CC[C@H](NCC1(C#N)CC1)c1nc(C(F)(F)F)cs1 348281359 YKEFATQOHSKTNG-QMMMGPOBSA-N 289.326 3.506 30 20 CHED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1cccc(O)c1 255577502 ZYLWVKOFMNJUBE-WAYWQWQTSA-N 298.729 3.589 30 20 CHED CC[C@@H](C)N(C)C(=O)c1cn(CCCC#N)c2ccccc12 345869940 AFKUWTNIQKIIKY-CQSZACIVSA-N 297.402 3.816 30 20 CHED N#Cc1cccc(CCN[C@H]2CCCc3ccc(F)cc32)c1 343534548 MWFDTXGGEIXCEV-IBGZPJMESA-N 294.373 3.907 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCC[C@H]1F 340525626 WZXQARQQXKRSQJ-IXDOHACOSA-N 272.367 3.806 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)Cc1ccc(Cl)cc1 435735651 OXNBLUTYAUWULG-LXZKKBNFSA-N 293.838 3.842 30 20 CHED CCOc1ccccc1OC(=O)/C=C\c1ccccc1C#N 255007061 YEWJENKJPNUCRN-QXMHVHEDSA-N 293.322 3.576 30 20 CHED CC#CCN(Cc1cc(Br)ccc1F)C1CC1 525633265 YQITYHWTKQGNFS-UHFFFAOYSA-N 296.183 3.576 30 20 CHED CCOc1cccc(C=Nc2cc(C#N)ccc2C)c1O 255914098 QUZWYPONTBXFJF-UHFFFAOYSA-N 280.327 3.722 30 20 CHED Cc1nc(S[C@H](C)CCC#N)c2ccccc2n1 340586242 LPETVYFSLWWFHM-SNVBAGLBSA-N 257.362 3.723 30 20 CHED CCC[C@H](C#N)NC(=O)CCc1ccc(Cl)c(Cl)c1 608816404 NMNJRWQNEXLTKD-LLVKDONJSA-N 299.201 3.734 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@@H](c1ccccc1C)N(C)C 443196463 LFGBKFSVOKXPCG-JZXOWHBKSA-N 274.452 3.931 30 20 CHED CC(C)[C@H]1CN(Cc2cc(C#N)n(C)c2)c2ccccc21 447099905 SPKAZMSQQNHPFA-QGZVFWFLSA-N 279.387 3.657 30 20 CHED CCOc1cc(/C=C\C(=O)c2occc2C)ccc1OC 254955802 RLGHHEWQCOKWBW-ALCCZGGFSA-N 286.327 3.891 30 20 CHED N#Cc1ccccc1CN[C@H]1CCC[C@@H]1c1ccccc1 526087156 SYJLDCHPQGRHMW-MOPGFXCFSA-N 276.383 3.984 30 20 CHED Cc1nn(C)cc1/C=C1\C[C@@H](C)c2ccccc2C1=O 255077476 IABNWJDBWFATDN-VSXLWIIGSA-N 266.344 3.502 30 20 CHED CC(C)C(CNC1CCC(C)(C#N)CC1)C(C)C 449272072 KPZWPWJOJFVXAZ-UHFFFAOYSA-N 250.430 3.977 30 20 CHED CCOc1ccc(OC)cc1NCc1ccc(C#N)c(C)c1 443981013 BQQYWSNCUDRHHU-UHFFFAOYSA-N 296.370 3.886 30 20 CHED C=CCC1(NCc2ccc([S@@](C)=O)cc2)CCCCC1 449575591 NDWDXHOLFASFOT-HXUWFJFHSA-N 291.460 3.793 30 20 CHED C[C@H](CCC#N)CNCCc1ccc(Br)cc1 602548420 YYLGLSZRBLHCOW-GFCCVEGCSA-N 295.224 3.521 30 20 CHED C=CCC[C@H](NCCCOc1ccccc1)C1CC1 533362191 OUGKKXMYBHMCEM-KRWDZBQOSA-N 259.393 3.790 30 20 CHED COc1cc(CN(C)[C@@H](C)c2ccc(F)cc2)ccc1C#N 442805116 XXINFAIOYSTYFB-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCOc3c(CC)cccc32)CC1 355550854 GVURPLNNORKLSF-INIZCTEOSA-N 299.414 3.935 30 20 CHED Cc1cn(Cc2cc(Cl)cc3cccnc23)cc1C#N 532766799 ZTCVQANPTGXJSB-UHFFFAOYSA-N 281.746 3.918 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 446821533 PUNYSIILSCKXKJ-ZJOBFFGXSA-N 290.382 3.574 30 20 CHED C=CCN(Cc1cnn(-c2ccc(Cl)cc2)c1)C1CC1 350264830 KYNNRVWHLSKANR-UHFFFAOYSA-N 287.794 3.676 30 20 CHED CCC(CC)(CC)CNC(=O)N1CCC[C@@](C)(C#N)C1 612144375 SXWLSOUKEVENCO-HNNXBMFYSA-N 279.428 3.538 30 20 CHED C=CCCC(=O)NCCSc1ccc(Cl)cc1 263683477 PKBYITCEEDBVPL-UHFFFAOYSA-N 269.797 3.515 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1CC)OCC 535969808 WZYJLYSFWIHURK-PMPSAXMXSA-N 281.440 3.785 30 20 CHED C=CCC[C@H](Nc1ccc2c(c1)ncn2C)C1CC1 538637387 YKLQIDMJDVHLAJ-AWEZNQCLSA-N 255.365 3.730 30 20 CHED C=C(CC)CNC1CCN([C@H]2CCC[C@H](C)C2)CC1 449735474 QXTZIGKHCMWKCK-RDJZCZTQSA-N 264.457 3.585 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)C1CCCC1 610777626 GOVGFHABOBZVHE-CYBMUJFWSA-N 264.413 3.791 30 20 CHED N#CCCCN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 353149713 RKMICNYSBZQEHP-CYBMUJFWSA-N 281.281 3.665 30 20 CHED C=CC[C@H]1N(CCOCC(F)(F)F)CCCC1(C)C 444787820 SKLUIBHIHXWZND-GFCCVEGCSA-N 279.346 3.632 30 20 CHED C=CCN(C(=O)c1nc2ccccc2cc1Cl)C1CC1 355511072 NKUSGFYJHGQKEH-UHFFFAOYSA-N 286.762 3.679 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2ccccc2)CCCC1 619111392 VYVKKAICFMLNKW-AWEZNQCLSA-N 257.377 3.795 30 20 CHED C=CCOCC(=O)Nc1ccccc1-c1cccs1 354535791 GLNUKIGZBVZILU-UHFFFAOYSA-N 273.357 3.556 30 20 CHED C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1 539508419 XKWRIXUYTULAQK-BDJLRTHQSA-N 298.773 3.996 30 20 CHED CN1Cc2ccccc2[C@H](Nc2cc(Cl)ccc2C#N)C1 533819664 PDWWJNGNPNHSTC-QGZVFWFLSA-N 297.789 3.810 30 20 CHED C=CCCCC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 359045861 KFMIZHSLCMMRPH-UHFFFAOYSA-N 280.755 3.593 30 20 CHED Cc1noc([C@H](C)SCCCC(C)(C)C#N)n1 610798048 ZHBCNJXTLIWCRK-VIFPVBQESA-N 253.371 3.502 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)ccc2C)C1 617789800 UGORUIOFPXJJNZ-HNNXBMFYSA-N 257.377 3.732 30 20 CHED C[C@H](Sc1ccccc1Cl)C(=O)N(C)[C@@H](C)CC#N 264066292 NATWFEQUHZIYNF-QWRGUYRKSA-N 296.823 3.581 30 20 CHED CC(C)(C)OCCCCN(C#N)c1ccc(F)c(C#N)c1 352553255 HTDXDDWOWCAHEY-UHFFFAOYSA-N 289.354 3.580 30 20 CHED C[C@@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1(C)C 354801020 YCXCONMISRIEAC-LLVKDONJSA-N 290.794 3.720 30 20 CHED C[C@H](CCC#N)N1CCC[C@](C)(c2ccccc2)C1 351406196 DCVURIRIVJTMBU-WBVHZDCISA-N 256.393 3.732 30 20 CHED C=CCN(CCC#N)C(=O)CC1CCC(C)(C)CC1 359429441 QXRPWZMWMXWUSH-UHFFFAOYSA-N 262.397 3.521 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@](C)(C#N)C1 612121433 ZZLRBFMBZKNTHH-VYDXJSESSA-N 291.439 3.681 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)cc1 618741982 OEYUOPPFRISSLH-KRWDZBQOSA-N 282.774 3.989 30 20 CHED Cc1cc(C(=O)NC2(c3cccc(C#N)c3)CC2)c(C)s1 610975655 DIAXCTPVMSHSLH-UHFFFAOYSA-N 296.395 3.656 30 20 CHED N#C[C@@H]1CCC[C@H]1N[C@H]1CCc2ccc(Cl)cc21 459476029 LAYLKGMGQAZPLJ-GLQYFDAESA-N 260.768 3.609 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)c1cccc(C#N)n1 535135814 ZXJBRXOALCEWOP-UHFFFAOYSA-N 292.169 3.896 30 20 CHED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H](C)C(C)C 361636125 HFVYNPGAXUACHG-NVXWUHKLSA-N 286.419 3.967 30 20 CHED C[C@H](c1ccc2ccccc2c1)N1CC[C@](F)(C#N)C1 615638825 JANMMFTUMQVPQW-DYVFJYSZSA-N 268.335 3.838 30 20 CHED CC1(C)CC[C@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 360128985 BDEXRMFDWUVWAU-GOSISDBHSA-N 296.414 3.605 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 453312442 GVZNRVDQRQWNGJ-CQSZACIVSA-N 289.423 3.833 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(CCOCC)CCCC2)C1 617782355 DGYQKLFHXDVXSM-INIZCTEOSA-N 293.451 3.788 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1CCCSCC#N 610787997 DATCIPRSCWMDRR-QGZVFWFLSA-N 288.460 3.889 30 20 CHED CC(C)O[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)C1(C)C 618804166 KFVNWJGMMFLXPE-FGTMMUONSA-N 298.430 3.727 30 20 CHED C=C(C)CCNC(=O)c1cc(C)cc(C)c1Br 452717442 LABPEQNAXCFTMR-UHFFFAOYSA-N 296.208 3.762 30 20 CHED CC(C)CC1(C(=O)Nc2cccc(C#N)c2)CCC1 362463028 DGFHBJSKJLFETN-UHFFFAOYSA-N 256.349 3.713 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H]1CCOC2(CCC2)C1 450717454 KWSAWGXJVJABDH-LBPRGKRZSA-N 290.794 3.973 30 20 CHED C=CCC[C@H](NCC[C@@H]1CCO[C@@H](C)C1)C1CC1 541559056 KLIYUAXEMNVTIO-LZWOXQAQSA-N 251.414 3.526 30 20 CHED C=C(CC)CNC(=O)N[C@@H]1CCc2sc(Cl)cc21 454989129 HOPUGOIRZGPTSF-SNVBAGLBSA-N 284.812 3.654 30 20 CHED CC#CCN(C)C(=O)N[C@H](C)c1ccc(SCC)cc1 458327266 VOSIVACYBNXQIE-CYBMUJFWSA-N 290.432 3.524 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 456810954 HWDGMFKHMNXUEF-LBPRGKRZSA-N 299.336 3.966 30 20 CHED C#Cc1cccc(NC(=O)N2CC=C(c3ccccc3)C2)c1 365014087 SEUUKMNPBHJPCB-UHFFFAOYSA-N 288.350 3.599 30 20 CHED C=CCOCCCC(=O)N(CC)Cc1ccc(Cl)cc1 361563633 JILDIJLBZHHGSJ-UHFFFAOYSA-N 295.810 3.671 30 20 CHED C=CCCCN[C@H](C)c1ccc(OCC)c(OC)c1 540367700 GSIKLMJABQYLHL-CYBMUJFWSA-N 263.381 3.711 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 458896163 BCDJLVZKSVMXKT-OAHLLOKOSA-N 294.345 3.560 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 454425878 AKTBCYHVNRADCB-UHFFFAOYSA-N 285.391 3.821 30 20 CHED N#CCC[C@H](C#N)COc1cc(Cl)cc2cccnc12 275080149 INXPOXOODOXWRW-LLVKDONJSA-N 285.734 3.711 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 452720710 DXWZVCBPJFSSTD-RFQIPJPRSA-N 273.376 3.589 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 366717050 CPUZTIWDIJGSOH-ONIAQPFYSA-N 298.430 3.967 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)CC)cc1 626731800 XVIDMZWHKOQYLR-HNNXBMFYSA-N 286.375 3.852 30 20 CHED C=CCCN(CC)Cc1ccccc1Br 549039818 HRSYDWQCISYHHS-UHFFFAOYSA-N 268.198 3.847 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H]1c1ccccc1)OCC 270024561 JUTMGVPEMJSALB-IRXDYDNUSA-N 287.403 3.721 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H]1CCN(c2ccccc2F)C1 462808829 WLYMZPBREFQQIU-ARFHVFGLSA-N 290.426 3.842 30 20 CHED Cc1cc([C@@H](NC(=O)CC(C)(C)C#N)C2CC2)ccc1F 278285878 CBPGHNMRPBBDTK-INIZCTEOSA-N 288.366 3.641 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)CC(C)(C)C#N 278390204 IWDGIYWNXBEYSU-UHFFFAOYSA-N 298.386 3.893 30 20 CHED CO[C@]1(C)C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1(C)C 540708256 PJWQDYCDGOPJQK-UXEPBGEESA-N 290.382 3.552 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C)c1 463523384 ZQNMAMNDGFUMFV-UHFFFAOYSA-N 297.354 3.821 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)C(C)(C)C1 546829757 GKBVKDUIJZLURU-KGLIPLIRSA-N 256.393 3.987 30 20 CHED CN(C)[C@@H](CNc1ccc(F)cc1C#N)C1CCCCC1 462925667 CSCMPSVPUNUFFS-KRWDZBQOSA-N 289.398 3.620 30 20 CHED Cc1cc(OC(=O)OCC(F)(F)F)c(C)c(C)c1C#N 285300583 HDEMUMPZELSMEF-UHFFFAOYSA-N 287.237 3.561 30 20 CHED Cc1ccnc(-c2cccc(NCCC(C)(C)C#N)c2)n1 288731128 NOCAPFVHTCPSAX-UHFFFAOYSA-N 280.375 3.804 30 20 CHED CCOc1cccc(/C=N/[C@H](C2CC2)C(F)(F)F)c1O 287363218 YLDPAHKKVXPKCQ-NACCWKTGSA-N 287.281 3.551 30 20 CHED C=CCOc1cccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)c1 462762193 BBTDPAQUSADASQ-AZUAARDMSA-N 293.410 3.972 30 20 CHED C=C(C)CCc1noc(-c2occc2Br)n1 285105780 LNGNCCPPNWDESH-UHFFFAOYSA-N 283.125 3.601 30 20 CHED CC(C)(CNC(=O)c1ccc(F)c(C#N)c1)C1CCCC1 551264806 KKKZVEHQVCGGBW-UHFFFAOYSA-N 288.366 3.644 30 20 CHED C=CC[C@@H](CC)N[C@@H]1Cc2[nH]c3ccccc3c2C1 282258160 JUDGFPLOWSGBFG-OLZOCXBDSA-N 254.377 3.579 30 20 CHED C=CCCCC(=O)O[C@H](CC)c1ccc(F)cn1 285895052 UMJQXQGYTVIJJQ-CYBMUJFWSA-N 251.301 3.571 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](C)C(C)C 463675873 BQAIAKRTPWUKFU-ZIAGYGMSSA-N 272.392 3.555 30 20 CHED C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)Cc2ccccc21 468001538 VBZCKRHCKMQAHV-GUYCJALGSA-N 257.377 3.814 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2ccc(Cl)cc21 466379663 FBYNQNHLOLBCKN-CYBMUJFWSA-N 278.783 3.767 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2F)s1 1125471315 LEZNGWRIEHRNHM-SNVBAGLBSA-N 288.347 3.558 30 20 CHED C[C@@H](CCc1ccccc1F)NCCc1cccc(C#N)c1 467440323 RJJQHSRPXCJJOB-HNNXBMFYSA-N 296.389 3.851 30 20 CHED CCc1cccc(NC(=O)c2ncc(C#N)cc2C)c1CC 556795619 VPQHKOXPOFFIHD-UHFFFAOYSA-N 293.370 3.639 30 20 CHED C=CCCCN[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 639117443 DFORTPFKXQCIML-PKOBYXMFSA-N 284.447 3.910 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H](C)c1ccc(F)cc1 472830721 FCCARIPRNPJRLP-ZDUSSCGKSA-N 278.371 3.884 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCCC1(C)CC1 472218598 BZJTVDABGKMJMQ-UHFFFAOYSA-N 286.419 3.617 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-c2csc(C)n2)s1 631344762 SHBCZBULTYRFRH-VIFPVBQESA-N 292.429 3.874 30 20 CHED C=CCOCCCN1CCC(c2ccccc2C)CC1 470777760 AMOFKOCQDSUNAN-UHFFFAOYSA-N 273.420 3.767 30 20 CHED C=CCOCCCSCCc1ccc(C)cc1 479609526 ZXOFGCKOBKGQJB-UHFFFAOYSA-N 250.407 3.863 30 20 CHED CCC1(CC)[C@@H](NC2(c3cccc(C#N)c3)CC2)C[C@H]1OC 556603376 JAYXCZHVYFVJNY-DLBZAZTESA-N 298.430 3.731 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(OC(C)C)cc1Cl 297960351 XWDHYKLKIDAGMV-UHFFFAOYSA-N 294.782 3.614 30 20 CHED C[C@@H](CCC#N)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 298130553 KUELSXXOMHUUOI-IPELMVKDSA-N 294.398 3.743 30 20 CHED C=CC(C)(C)C(=O)N1Cc2cccc(Br)c2C1 294956982 JPMXASBYOCFAHN-UHFFFAOYSA-N 294.192 3.504 30 20 CHED C=CCOc1ccc(CN[C@H]2CC[C@H](F)C2)cc1Cl 564116948 QQIHHTDWMPFWFQ-STQMWFEESA-N 283.774 3.885 30 20 CHED C=CCCCCCCCCNC(=O)c1ccn(C)c1 805278388 ZDLBSMOXCCQQOW-UHFFFAOYSA-N 262.397 3.672 30 20 CHED CCCC[C@H](C)C(C)=NNc1ccc(Cl)nn1 807945100 COQMRJLYBIBMDL-VIFPVBQESA-N 254.765 3.744 30 20 CHED C[C@H](C#N)OCCN1CCCCC[C@H]1/C=C\c1ccccc1 801926071 MRCNISOYYVFZLX-XBAQYMQTSA-N 298.430 3.873 30 20 CHED C=CCN(CCC#N)C(=O)Nc1c(CC)cccc1CC 292749932 JTSAEITXSPWYQE-UHFFFAOYSA-N 285.391 3.745 30 20 CHED Cc1ccc(NC(=S)NCC(C)(C)CCC#N)cc1C 806598177 OPZCGOSLDMMHLL-UHFFFAOYSA-N 289.448 3.920 30 20 CHED C=C(C)CCNCc1cc2cc(Cl)cnc2o1 648727796 RLOJIWPUEFMNPH-UHFFFAOYSA-N 250.729 3.537 30 20 CHED C#C[C@@H](NC(=O)[C@H](CCC)c1ccccc1)C(C)(C)C 807880277 UNVOXTFYVAEDSG-HZPDHXFCSA-N 271.404 3.734 30 20 CHED N#CCCCCCC(=O)NCC12CC3CC(CC(C3)C1)C2 805151229 ORQPYKQOSWVMDS-UHFFFAOYSA-N 288.435 3.793 30 20 CHED C#CCCc1noc(CCCCCc2ccc(F)cc2)n1 809396380 FAOWSSWGYSIGAF-UHFFFAOYSA-N 286.350 3.730 30 20 CHED FCCC[C@H]1CCCC1=NNc1nncc2ccccc12 800805386 WYIHUSSCSAPADF-GFCCVEGCSA-N 286.354 3.948 30 20 CHED N#Cc1nn(CCOC2CCCCCC2)c2ccccc12 562409182 NMTXQLPREOKSIV-UHFFFAOYSA-N 283.375 3.647 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cccnc1-c1csc(C)c1 806446195 PAJAOFAZQHVWEC-CYBMUJFWSA-N 299.399 3.652 30 20 CHED Cc1nocc1CNc1ccccc1SC[C@H](C)C#N 568258166 BUKPAASIKSOWBV-LLVKDONJSA-N 287.388 3.847 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1Nc1ccc(C#N)cc1 480530336 SRSMPRAVIAAPAN-CVEARBPZSA-N 258.365 3.564 30 20 CHED C[C@H]1SCCC1=NNc1ccccc1C(F)(F)F 814688830 MYDDNHVNFXWKTB-MRVPVSSYSA-N 274.311 3.999 30 20 CHED N#Cc1cc(NC(=O)C[C@H]2C=CCCC2)nc2ccccc12 569168802 MYJOBLXRIGTCIP-ZDUSSCGKSA-N 291.354 3.791 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H](C)C(C)(F)F)C(C)C)c1 815604767 ZYIXGKBXCYOUFG-GFCCVEGCSA-N 279.330 3.701 30 20 CHED CC(CCCCCCC(=O)O)=NNc1ccc(C)cn1 814831831 SNOKKYYAHJOHGH-UHFFFAOYSA-N 277.368 3.603 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)CSc1ccccc1)C(C)(C)C 813777405 JUWDEXGPCLABLS-DZGCQCFKSA-N 289.444 3.579 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@@H](C)[C@H](C)C3)c2c1 488090129 OHZVYXRYVOSHKT-CHWSQXEVSA-N 265.360 3.507 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(Cl)nc1 812243753 UIVWEVMEKJWNEI-GORDUTHDSA-N 291.709 3.779 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)Oc1ccccc1Cl 489701607 HIRHDNRIZVYCQH-LBPRGKRZSA-N 295.810 3.826 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CC(C)(C)C1CC1 815470970 PXKRGBRKZOSYTK-UHFFFAOYSA-N 271.360 3.736 30 20 CHED Cc1ccc(C(=O)C2CCN([C@H](C)CCC#N)CC2)c(C)c1 571620445 MYQAIWLWAYOGTN-MRXNPFEDSA-N 298.430 3.890 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(SC(F)F)nc1 814120012 DCNRQAIODRBMDP-UHFFFAOYSA-N 286.347 3.937 30 20 CHED CC[C@H](C)CON=C1CC[C@H]2CNc3cccc1c32 814939679 YQWSMCUADUPOIX-RYUDHWBXSA-N 258.365 3.756 30 20 CHED CC(C)OCCON=C1CCCCc2ccccc21 812239972 IAYPQUYXDBEFRG-UHFFFAOYSA-N 261.365 3.559 30 20 CHED CCN(Cc1cccc(F)c1)Cc1ccc(C#N)c(F)c1 483527477 KSPRNHMDKPLSAS-UHFFFAOYSA-N 286.325 3.859 30 20 CHED N#CCCn1cc(C=NOC/C=C/Cl)c2ccccc21 811670560 VKTRNRQDKLSBBO-ASUVHLPYSA-N 287.750 3.658 30 20 CHED CC[C@@H]1CCC[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 578373853 TYAFONTVSIFMTE-XOKHGSTOSA-N 254.377 3.714 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)c1ccccc1C 489829449 ZUZZCGOKQFOCOA-UHFFFAOYSA-N 273.420 3.991 30 20 CHED CCC(=NOCc1ccccc1OC)c1ccco1 814924283 YLEABPGCJQSMPR-UHFFFAOYSA-N 259.305 3.619 30 20 CHED CCc1cccc(OCc2ccc(F)cc2C#N)c1 487939133 ATWVXHWMZXPZDQ-UHFFFAOYSA-N 255.292 3.839 30 20 CHED C[C@H]1CC[C@@H](C=NNc2ccc(F)c(F)c2F)C1 814945843 SWOBWEKWSULIMX-DTWKUNHWSA-N 256.271 3.938 30 20 CHED N#Cc1cccc(/C=C2\CCc3sccc3C2=O)c1 726892830 OSHMHTMBIJGDQF-UKTHLTGXSA-N 265.337 3.832 30 20 CHED Cl/C=C\CON=Cc1cccn1Cc1cccs1 811668030 JWFJBTBYMKNBJW-PAIKAKGKSA-N 280.780 3.701 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 726435946 ZSKNTXPGURWKGS-NZUILWFCSA-N 298.455 3.779 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 653094297 ZYDRZHKKMVBJFK-WDEREUQCSA-N 292.345 3.571 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](C#N)C1CCCC1 829367403 DKNOTYXUCAGTMM-AWEZNQCLSA-N 288.391 3.698 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 491440724 QZTPKWJQWYQKAX-NSHDSACASA-N 298.308 3.667 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccncc1CC 498722456 XZXUULPETPQRLY-UHFFFAOYSA-N 289.423 3.532 30 20 CHED Clc1cc(Cl)cc(C=NNC2CCCC2)c1 727651770 PWYMUURVTGCRKH-UHFFFAOYSA-N 257.164 3.860 30 20 CHED C=CCCCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C 828428294 JSYORUPYHHOXNM-GJZGRUSLSA-N 296.455 3.720 30 20 CHED O=[N+]([O-])c1ccc(NN=C/C=C/c2ccco2)c(Cl)c1 727650164 QUMSSXNHOGAVII-KJYHGJOXSA-N 291.694 3.952 30 20 CHED C=CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727930190 SVLNRNSAPSLOQW-VHSXEESVSA-N 271.143 3.826 30 20 CHED C=CCCCCCSCc1nc(C2CC2)nn1C 574917251 ZESONFAHIJYYJK-UHFFFAOYSA-N 265.426 3.672 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(O)c(F)c1 728427091 ICGMAVVZSMLTOF-UHFFFAOYSA-N 262.259 3.507 30 20 CHED C=CCC1(NC(=O)Nc2ccc(COC)cc2)CCCC1 822995604 RXCNXNQMNKBSPE-UHFFFAOYSA-N 288.391 3.843 30 20 CHED CCc1ccc(OC(=O)CSc2ccc(C#N)cc2)cc1 728455500 SKPMKEMFHNQPFC-UHFFFAOYSA-N 297.379 3.818 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cc(C)cs1 665021541 YGBLWGWCNPRMAX-UHFFFAOYSA-N 266.410 3.601 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCc2ccccc2F)c1 728481057 GRPBFQTXBXGQFD-UHFFFAOYSA-N 295.357 3.793 30 20 CHED C=CCCCC[C@H](C)NC[C@@H](O)c1ccc(F)cc1 823573720 QBHUMOZVSHOROT-XJKSGUPXSA-N 265.372 3.584 30 20 CHED C[C@]1(Cc2cccc(F)c2)CCCN1CCCCC#N 581129175 NJSDVNREPXVBHL-QGZVFWFLSA-N 274.383 3.917 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc2ccccc12 491316857 YCRRHRYOAYAQCL-ZIAGYGMSSA-N 280.371 3.564 30 20 CHED CS[C@@H]1CCCC(=NNc2ccc(Cl)cn2)C1 901264725 MLMDBUARXHLLCF-LLVKDONJSA-N 269.801 3.809 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)Cc1ccccc1C 494705268 WMEBORQYDJODCH-RDJZCZTQSA-N 286.419 3.676 30 20 CHED Cc1ccccc1[C@@H](NC(=O)C#Cc1cccs1)C1CC1 825869343 YQDQVYWPBHXVJO-SFHVURJKSA-N 295.407 3.676 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)s1 731156793 MDTLWYFJOUUYFR-WAYWQWQTSA-N 292.381 3.966 30 20 CHED O=C(CCCc1ccccc1)N(O)Cc1ccc(F)cc1 901375398 HAHUPWGAHWVBJU-UHFFFAOYSA-N 287.334 3.566 30 20 CHED CCC(CC)NN=C(C)CCc1ccccc1F 734364878 JEZKGWMPXPVOPD-UHFFFAOYSA-N 250.361 3.912 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(C#N)cc1Cl 903989930 ASWFJIVMUCIDSV-SNVBAGLBSA-N 262.740 3.752 30 20 CHED C=C1CCN(C(=O)c2cc(C(F)(F)F)ccc2NC)CC1 668303278 CAXRIPXDQWZYNI-UHFFFAOYSA-N 298.308 3.539 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(SC)n1 496935073 XUSSLLXSIYKTNP-NSHDSACASA-N 279.409 3.670 30 20 CHED CC(C)[C@H](NC(=O)C#CC(C)(C)C)c1ccccc1 837322762 DOYHWQFXJFOGQO-INIZCTEOSA-N 257.377 3.549 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2cc3ccccc3o2)C1 839046784 ASXHXCUSXMAKRY-JSGCOSHPSA-N 283.327 3.601 30 20 CHED COc1cccc(/C=N/[C@@H]2CC[C@H](C)C[C@H]2C)c1O 733080818 CGMRFXWSKTXSSV-PZEKQYFXSA-N 261.365 3.644 30 20 CHED COc1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1 739421060 CCHDZECCSQOURM-UHFFFAOYSA-N 295.264 3.555 30 20 CHED CCN(Cc1ccccc1Cl)C(=O)C#CC(C)(C)C 837333821 YFXTTZPSYWBLFU-UHFFFAOYSA-N 277.795 3.738 30 20 CHED CC1(C#N)CCC(N[C@@H](c2ccccn2)C2CC2)CC1 903336113 WFXLOFKXAWWODI-ARWYELJZSA-N 269.392 3.595 30 20 CHED Cc1ccccc1[C@@H]([C@H](C)Nc1ccc(C#N)cc1)N(C)C 584264807 ULAJGQBTDLWBET-HNAYVOBHSA-N 293.414 3.970 30 20 CHED CC[C@H](N[C@H]1CCO[C@H](C(C)C)C1)c1cccc(C#N)c1 902849351 LVBCJJMDDSKJEY-BZSNNMDCSA-N 286.419 3.803 30 20 CHED CCN(C)c1ccc(/C=C\C(=O)c2cccc(F)c2)cn1 588578356 NGBOZMZOKRKYLM-CLFYSBASSA-N 284.334 3.573 30 20 CHED C#CCN(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1 836267011 ASKZECQNVXDZIG-UHFFFAOYSA-N 298.386 3.638 30 20 CHED CSc1ccsc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839053144 RXFSEEIAKIIQNP-UWVGGRQHSA-N 281.402 3.709 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCc1cccc(C#N)c1 835146324 DDYMYBQFFZVVEX-GFCCVEGCSA-N 285.265 3.580 30 20 CHED C=C(C)COc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 589381976 GUFIFIBXLXVSES-CQSZACIVSA-N 271.360 3.936 30 20 CHED COc1ccc(CNN=Cc2c[nH]c3ccc(C)cc23)cc1 735612954 SSEVBKUJLUMHBM-UHFFFAOYSA-N 293.370 3.609 30 20 CHED Fc1cnc(NN=C2CCCC23CCCCC3)nc1 834966593 KSBANEQUCVLQPG-UHFFFAOYSA-N 262.332 3.518 30 20 CHED Cc1noc([C@H](C)ON=Cc2ccc(C(C)C)cc2)n1 736297607 YTKVBEAJGUUYEI-NSHDSACASA-N 273.336 3.613 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C\c1cc(C)c(C)cc1C 735068310 VASIPUVLJJBKHQ-WHLNPGIBSA-N 257.377 3.706 30 20 CHED CC#CCNC(=O)c1sc2cccc(Cl)c2c1Cl 677812832 LGSSCMRUYPBAHK-UHFFFAOYSA-N 298.194 3.961 30 20 CHED Cc1nsc(N[C@@H]2C[C@H]2c2ccc(F)cc2F)c1C#N 599177696 UHEQQHUAUUOFCR-GXFFZTMASA-N 291.326 3.569 30 20 CHED FC(F)(F)c1ccnc(NN=C2C[C@H]3CC[C@H]2C3)c1 834984562 CYTFNDMJKDHNDT-IUCAKERBSA-N 269.270 3.688 30 20 CHED CC[C@@H](C)CN(CC)C(=O)[C@H](C)Cc1ccc(C#N)cc1 593989463 QOXYZSSMSKDPCE-HUUCEWRRSA-N 286.419 3.631 30 20 CHED CCC1(C)CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 594260604 ISAXHDLBLSKUOC-HNNXBMFYSA-N 298.430 3.776 30 20 CHED CCCC[C@H](C(=O)N(C)c1ccc(C#N)cc1)C(C)C 598814941 NLNWVKZTNFQRMI-INIZCTEOSA-N 272.392 3.983 30 20 CHED CCC(C)(C)CC(=O)O[C@@H](C)c1cccc(C#N)c1 745952950 OLIKYEGGPYAFFV-LBPRGKRZSA-N 259.349 3.989 30 20 CHED N#Cc1ccc(COC(=O)c2cc3cccc(F)c3o2)cc1 745289855 SAOOCGBPOUFFJR-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CCCCO[C@@H]1CC(=NNc2ccc(F)cn2)C1(C)C 747631328 JAHHZDQSOBUTLE-CYBMUJFWSA-N 279.359 3.604 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2cc(C)on2)CCCC1 835378613 FKVYAGYKCUNFJQ-LBPRGKRZSA-N 263.337 3.724 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCC1(C)CC1 910038456 UIRUFMYERHWCOU-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C=CCN(C(=O)c1cc2ccccc2nc1C)C(C)C 915153511 OHZYVRHEXCBBPH-UHFFFAOYSA-N 268.360 3.580 30 20 CHED CCc1c(NC2CCC(C)(C#N)CC2)cnn1CC(C)C 590647118 IOVFLSSPSWCFFS-UHFFFAOYSA-N 288.439 3.986 30 20 CHED C#CCN(C(=O)c1ccc2c(c1)CCC2)C1CCCCC1 743692407 UCXBMSGNHUJZIU-UHFFFAOYSA-N 281.399 3.583 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](CCC#N)c1ccccc1 747691055 USUXISPJVQLFQB-UOEVCUDDSA-N 294.354 3.865 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1ncc(C(C)(C)C)o1 747673967 RXINLPIVUVZZFZ-LLVKDONJSA-N 298.342 3.762 30 20 CHED C=CCCSCCN[C@H](C)[C@@H](OC)c1ccccc1 595057257 BWYHIPHQCJIKEH-GDBMZVCRSA-N 279.449 3.662 30 20 CHED CC(C)CCN(CCC#N)c1c(F)cc([N+](=O)[O-])cc1F 749321204 GZUCPBWTFBIOPW-UHFFFAOYSA-N 297.305 3.639 30 20 CHED CCC(C)(C)OCC/N=C/c1cc2ccccc2nc1O 840710013 NNZGMCBEPBKIBI-LDADJPATSA-N 286.375 3.565 30 20 CHED C=C1CCN(C(=O)c2ccc(OCCC(C)C)cc2)CC1 594848206 YWUBHEGTLIITEC-UHFFFAOYSA-N 287.403 3.904 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 594346288 YCGZZBUQZFYXNC-CRAIPNDOSA-N 298.430 3.631 30 20 CHED C#C[C@@H](OC(=O)CCCc1csc(C)n1)c1ccccc1 842389534 ISJCSVJPJASBGN-MRXNPFEDSA-N 299.395 3.692 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2nc(CC)c(C)s2)c1 847160644 LAQXGEAIBZYXMI-UHFFFAOYSA-N 299.399 3.664 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)C1CCCC1 749363863 RFXKPTKIZQFTDD-AWEZNQCLSA-N 287.378 3.614 30 20 CHED C=C[C@@H](CC)OC(=O)Cc1c(C)nc([C@H](C)CC)nc1C 847675534 XIESJAYZJFKGSS-RISCZKNCSA-N 290.407 3.657 30 20 CHED C=CC[C@H](NCc1ccc(N(C)C)cc1C)c1ccncc1 840934425 QILZEOQVPFMZLQ-IBGZPJMESA-N 295.430 3.863 30 20 CHED CC#CCOC(=O)c1oc2ccc(Cl)cc2c1C 744516203 GOGFTEDTRVCTOA-UHFFFAOYSA-N 262.692 3.575 30 20 CHED C#CCN(Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 746157708 UPXUBTPDMVEQNO-MRXNPFEDSA-N 274.367 3.755 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C(C)=C\c1ccco1 846913483 SEVGDIDOHLHEBR-QBFSEMIESA-N 274.364 3.662 30 20 CHED CCC(CC)=NNc1cc(CO)ccc1Br 841655759 YTEKZFVOFICYEV-UHFFFAOYSA-N 285.185 3.529 30 20 CHED COc1cc(F)cc(/C=C/C(=O)c2coc(C(C)C)n2)c1 844551737 HQTGSRFXLNAVDR-SNAWJCMRSA-N 289.306 3.842 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccc(Cl)cc2)o1 745624721 NCPZWZLGAOWECW-UHFFFAOYSA-N 288.738 3.769 30 20 CHED CC(=NNc1ccccn1)c1ccc(Br)s1 916275902 AWIPJCWWORBJLY-UHFFFAOYSA-N 296.193 3.742 30 20 CHED N#C[C@@H](OC(=O)c1coc2ccc(Cl)cc12)C1CC1 845479143 IZXNGRPKFOBPRO-CYBMUJFWSA-N 275.691 3.545 30 20 CHED Clc1ccc2c(C=NNc3ccccn3)c[nH]c2c1 918709512 NWGZRMSJVIAVIZ-UHFFFAOYSA-N 270.723 3.662 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(Cl)cc1O 841753096 SBBLDNCPIHPBES-MKBNYLNASA-N 295.810 3.677 30 20 CHED CC(=NNCC(C)C)c1ccc2ccccc2c1O 916366340 TZBUBDSLSNSKBR-UHFFFAOYSA-N 256.349 3.515 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1cccc2c1OCO2 596638524 XVUCDQRWTYLULB-UHFFFAOYSA-N 295.338 3.936 30 20 CHED Cc1ccc2c(CC/N=C/c3cccc(O)c3O)c[nH]c2c1 749454125 YQLFZHKAPWWUDO-VXLYETTFSA-N 294.354 3.549 30 20 CHED Cc1nc(C(C)C)ccc1COc1ccccc1C#N 590126576 VTBBUQBJYSZTRO-UHFFFAOYSA-N 266.344 3.964 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 593593738 FGTKXANTVINGDY-QMTHXVAHSA-N 296.773 3.842 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccc(C)cc2C)c1 915980816 DMMDDCVFFNUSLW-WQRHYEAKSA-N 269.344 3.637 30 20 CHED CCC(Cc1ccccc1)=NNc1ccc(C(=O)O)cc1 745805965 GKCMJZRRUAXKOQ-UHFFFAOYSA-N 282.343 3.805 30 20 CHED C=C(Cl)CN(C)CC(C)(C)c1ccc(C)cc1 743855699 XEBHDCBOOOQSCC-UHFFFAOYSA-N 251.801 3.957 30 20 CHED CCc1noc(C)c1C(=O)OCCC1(C#N)CCCCC1 840192255 MPSIHTBQGKBVNK-UHFFFAOYSA-N 290.363 3.566 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(N=S(C)(C)=O)c1 848215258 BLWWBEYQJPYVFY-OAHLLOKOSA-N 294.420 3.587 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C#N)ccc2C)n1 924080553 ZIQNMTUXQQZBKV-UHFFFAOYSA-N 267.332 3.770 30 20 CHED CC(C)N(CC1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 929257342 PKUXTDZVTDDZSI-UHFFFAOYSA-N 291.782 3.864 30 20 CHED C=C[C@@H](CC(=O)OCc1ccn(C(C)C)n1)c1ccccc1 758908763 QWPWKBTUTSVQOJ-HNNXBMFYSA-N 298.386 3.867 30 20 CHED Cc1cccc(NC(=S)NN=C/C=C/c2ccco2)c1C 920362151 NZFVYEQETMQCTF-ZFENKPHASA-N 299.399 3.882 30 20 CHED CCCCC[C@@H](NC[C@@H](O)CC(C)(C)C#N)C(C)(C)C 856733945 JVCWYXAFEFXVMX-LSDHHAIUSA-N 282.472 3.872 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCCc1ccc(C#N)cc1 850487894 JYNIOJIARWZROL-IBGZPJMESA-N 276.383 3.686 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)C1CCCC1 750689922 NUVRTRNZUUPPKH-WCQYABFASA-N 282.343 3.830 30 20 CHED Cc1csc(CCCCN[C@H](C)CC(C)(C)C#N)n1 924921119 VJCDWCUBCQGOGO-GFCCVEGCSA-N 279.453 3.692 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(F)c(F)c1)C2=O 759665690 QGSQBRLZROSHNO-XFFZJAGNSA-N 286.277 3.796 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 855544650 DSCXOFMLOTVBBS-MRXNPFEDSA-N 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LCBLNBBUDDQMOB-UHFFFAOYSA-N 256.324 3.526 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1cc2ccccc2o1 120752573 XXNDHNIOUVIJME-UHFFFAOYSA-N 286.375 3.583 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 188434122 LOFBMENBKJYKMN-MAUKXSAKSA-N 289.394 3.819 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cnn(CC(C)C)c1CC 127950526 BXOXXHVTPLNPDP-UHFFFAOYSA-N 292.427 3.531 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(SC(F)(F)F)cc1 180456101 JWUYNYAQMUPCTO-UHFFFAOYSA-N 289.322 3.947 30 20 CHED C[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)Cc1cccs1 185848421 BVLWNOOBEZEGPV-HZSPNIEDSA-N 262.422 3.599 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1csc2c1CC[C@@H](C)C2 120701420 SUMHLUMCAPIXGY-BDJLRTHQSA-N 290.432 3.541 30 20 CHED CC#CCCCC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 416298831 ZIQXKAITPBWTOT-CABCVRRESA-N 263.425 3.853 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N(CC#N)C1CCCC1 180943400 NTCXQMKBGSZYBZ-MRXNPFEDSA-N 298.430 3.940 30 20 CHED C[C@@H](C#N)CNC(=O)CC(C)(C)Cc1ccc(Cl)cc1 187849260 JIWCYLFVODJLTK-LBPRGKRZSA-N 292.810 3.575 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(C)ccc2O)c1 215751501 HJZNYGCOSCTBIO-CLFYSBASSA-N 268.312 3.605 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1c(F)cccc1Cl 185766234 IMCQZNOSICQHLE-SNVBAGLBSA-N 281.758 3.706 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)c1ccc(F)cc1 415542457 VAGBMNNSFUDHRZ-JKSUJKDBSA-N 275.367 3.886 30 20 CHED N#CC1(COC(=O)c2csc(-c3ccccc3)n2)CCC1 183898101 NWKTZJGRIXZUJQ-UHFFFAOYSA-N 298.367 3.661 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C1CC1 413985880 LDAQQRNHGWDHGU-INIZCTEOSA-N 271.404 3.726 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(CC#N)c1ccccc1 74533910 ISJPYVDQTLIXPV-AWEZNQCLSA-N 270.376 3.760 30 20 CHED N#Cc1ccccc1/C=C/C(=O)NCCC1=CCCCC1 30945887 PTQVKEVWGJFELG-ZHACJKMWSA-N 280.371 3.578 30 20 CHED N#Cc1ccc(NC(=O)Nc2ccc(O)cc2)cc1Cl 186528415 CBCSMLXNGYISEJ-UHFFFAOYSA-N 287.706 3.561 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2C[C@@]2(C)C(C)C)s1 186694118 PQHQSRFUPQGNST-DOMZBBRYSA-N 276.405 3.803 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc(F)c(Cl)c2)C1 185807518 VOXPZSNKBDDKKW-CMPLNLGQSA-N 266.747 3.651 30 20 CHED C=C(Br)CN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 125106296 HCNBZBSNAVIGNE-NEPJUHHUSA-N 298.224 3.685 30 20 CHED N#Cc1cc(NC(=O)N[C@H]2CCc3ccccc32)ccc1F 77500019 WVDZKJVGILJODM-INIZCTEOSA-N 295.317 3.506 30 20 CHED CC(C)(C#N)NC(=O)c1ccc(C2CCCCC2)cc1 77025068 UOJPNXFAWVDDAU-UHFFFAOYSA-N 270.376 3.766 30 20 CHED C=CC[C@@H](C(=O)NC(C1CC1)C1CC1)c1ccccc1 186382724 OCFAKBMNEOKDAC-MRXNPFEDSA-N 269.388 3.651 30 20 CHED CCn1cc(C(=O)/C=C\c2c(F)cccc2Cl)cn1 210075128 XNLWQDIAXDQBMS-SREVYHEPSA-N 278.714 3.592 30 20 CHED CC[C@@H](CC#N)NCc1cc(C)c(OC(F)F)c(C)c1 184097842 ROQDUFXHCXJRCI-ZDUSSCGKSA-N 282.334 3.687 30 20 CHED Cc1cccc2[nH]cc(CC(=O)O[C@H](C)C(C)(C)C#N)c12 130411570 NZXSSOZWEFTAHW-GFCCVEGCSA-N 284.359 3.500 30 20 CHED Cc1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H](C)C1 180817105 GGWXKFBYFFQPPD-CJNGLKHVSA-N 294.402 3.952 30 20 CHED CC(C)[C@H](C)Sc1c(C#N)nnc2ccccc12 78589010 HJGLFLGEPMGYFZ-JTQLQIEISA-N 257.362 3.638 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccccc1CCC(F)(F)F 410566631 YZUWLULDOJQFCT-HZMBPMFUSA-N 296.292 3.670 30 20 CHED COCc1ccc([C@H]2CCCN2Cc2ccccc2C#N)o1 130935731 KPODEQXGAHWPDJ-QGZVFWFLSA-N 296.370 3.635 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N2CCCc3cc(C#N)ccc32)C1 411003929 VLIXGXIVGBNWFT-KGLIPLIRSA-N 282.387 3.664 30 20 CHED COC1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 413423794 VOWOJKCNXZSGNH-UHFFFAOYSA-N 298.308 3.947 30 20 CHED COc1ccc(C#N)cc1CSc1ccoc1C 131371130 NKAPIESGLYCIKP-UHFFFAOYSA-N 259.330 3.761 30 20 CHED CC(C)(C#N)CCCCN1CCSC[C@H]1C1CCC1 419375336 QGJNJDIVNORUJE-HNNXBMFYSA-N 280.481 3.924 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)cs2)c2cccnc12 84074343 RWVULJRJABATAM-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C(C)CCN(C#N)c1ccc(F)c(Br)c1 505531798 GFHKYUYXVRNYHO-UHFFFAOYSA-N 283.144 3.842 30 20 CHED C=CCC(CC=C)C(=O)N(c1ccccc1)[C@H]1CCOC1 192062424 CRFGXHJZQUPKPX-KRWDZBQOSA-N 285.387 3.577 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(C(C)(C)C)cc1 80161509 XYUGPBFQOPOBLC-UHFFFAOYSA-N 273.380 3.752 30 20 CHED N#CCCCOC(=O)c1ccc(SC(F)(F)F)cc1 194493559 TXISUQLSZSVXPZ-UHFFFAOYSA-N 289.278 3.759 30 20 CHED C=CCn1c(S[C@@H]2CCO[C@H](C)C2)nc2ccccc21 421819882 JMBLWEBOVLGQEY-CHWSQXEVSA-N 288.416 3.882 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)cc2Br)CS1 86935071 JRNGRXWEZZTKSE-WPRPVWTQSA-N 297.221 3.627 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1ccc(Cl)cc1 136960436 NTYMPAGBNVOVOC-RISCZKNCSA-N 250.773 3.553 30 20 CHED N#Cc1nnc2ccccc2c1N[C@H]1CC12CCCCC2 329112585 KSQWJYAODUHBOB-HNNXBMFYSA-N 278.359 3.636 30 20 CHED N#Cc1ccccc1NCc1ccc(Cl)cc1F 83442259 LALDXYADUDGTJL-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC(C)(C/N=C(/O)c1csc(O)n1)C1=CCCCC1 329993702 YQOCZWDJEMYNNE-UHFFFAOYSA-N 280.393 3.680 30 20 CHED C=CC[C@@H](C(=O)N1CCSC[C@H](C)C1)c1ccccc1 191282993 ARWHYGNKWRVPCR-GDBMZVCRSA-N 289.444 3.558 30 20 CHED COc1cc(C)ccc1[C@H](C)NCc1ccc(C#N)s1 517552310 IRMOWVKWIONEBH-LBPRGKRZSA-N 286.400 3.788 30 20 CHED C=C[C@@H](CC(=O)Nc1c(C)noc1CC)c1ccccc1 89409401 MKJYBEFLISMBFR-ZDUSSCGKSA-N 284.359 3.844 30 20 CHED C[C@H](CC#N)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 192420980 DNCNSROVGZAOKU-ZCFIWIBFSA-N 290.125 3.556 30 20 CHED C=CCn1c(C)nnc1N(C)Cc1csc2ccccc12 337868150 SATRUCHFRRHJHW-UHFFFAOYSA-N 298.415 3.624 30 20 CHED N#Cc1ccc(NCCC2CCC2)cc1Br 228195544 QNYFYZIWXOWTRS-UHFFFAOYSA-N 279.181 3.923 30 20 CHED Cc1cc(SCc2c(C)noc2C)ccc1C#N 335468732 BLNUDRDZMNKICG-UHFFFAOYSA-N 258.346 3.764 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCCC(C)(C)C#N 425535405 NKDASJOXYVWPSW-AWEZNQCLSA-N 269.392 3.881 30 20 CHED CC[C@@H](CC(=O)N1CCc2c(C#N)cccc21)C(C)C 421652841 VCHLZMJXNNHHMM-ZDUSSCGKSA-N 270.376 3.520 30 20 CHED COC(=O)[C@@H]1CCCC[C@@]1(C)/N=C(/O)C1=CCCCC1 331253343 RKKFASKWSLZLNY-XJKSGUPXSA-N 279.380 3.565 30 20 CHED CC(C)(C#N)CNC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 512888530 KBULIAOWKJVIES-CQSZACIVSA-N 299.418 3.896 30 20 CHED Cc1cc(C)c(-c2csc(NC(=O)[C@@H](C)C#N)n2)c(C)c1 335148855 CQWOLZSPGXFCIB-LBPRGKRZSA-N 299.399 3.834 30 20 CHED N#Cc1cccc(CCNC/C=C/c2ccc(F)c(F)c2)c1 512370796 XOCWPWFRQSICIV-GORDUTHDSA-N 298.336 3.682 30 20 CHED C[C@]1(Cc2ccc(F)cc2)CCCN1CC1(C#N)CC1 420934017 WQZPWWTYNOZHSH-MRXNPFEDSA-N 272.367 3.526 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-n2cccn2)c(F)c1 424604447 PQFLJBRWBXABAW-UHFFFAOYSA-N 287.338 3.552 30 20 CHED CC[C@H](/N=C(/O)c1oc2c(C)cccc2c1C)[C@H](C)O 331359502 WOMNLGQAQGWYCK-AAEUAGOBSA-N 275.348 3.514 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 424671499 HBNZERBMTJDTNN-HOCLYGCPSA-N 271.404 3.993 30 20 CHED Cc1nc(/C(O)=N/[C@H](C)C(C)(C)c2ccccc2)c(C)o1 330469615 LQFWGQIHWCLNED-GFCCVEGCSA-N 286.375 3.962 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2ccccc2F)c1 96766880 POAZNHJQJZREFP-KTKRTIGZSA-N 283.302 3.680 30 20 CHED Cc1cccc([C@@H](C)NC(=O)N2CCC(CC#N)CC2)c1C 334226517 ZPFSSWCXUJCHDN-OAHLLOKOSA-N 299.418 3.700 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)cnc1N1CCCC[C@H]1C 332389695 LIVQIUAVHYMGKI-OWCLPIDISA-N 298.434 3.873 30 20 CHED CC(C)(C)C1=CCN(CCCC2(C#N)CCOCC2)CC1 337170397 CSWZVUZQVYBOKL-UHFFFAOYSA-N 290.451 3.765 30 20 CHED Cc1cc(C)c(C#N)c(NCCC2C[C@@H](C)O[C@H](C)C2)n1 338485195 QYFWLRYCYOGRNN-ZIAGYGMSSA-N 287.407 3.576 30 20 CHED CCC1(CC)CCN(CCCC2(C#N)CCOCC2)C1 337177972 KHDQGUFANZZNIT-UHFFFAOYSA-N 278.440 3.599 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1ccc(F)cc1F 435662306 CTPBTRZVWJBSPW-VUCTXSBTSA-N 295.373 3.987 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(F)cc1C#N 435162128 IAOFIBCPJVZVRG-CQSZACIVSA-N 289.354 3.740 30 20 CHED COc1ccc(COc2ccc(C#N)c(F)c2)cc1Cl 142636531 QWRDXWSQKRUVIQ-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC(C)c1ncsc1/C(O)=N/CCC[C@@H]1CCCCO1 331287903 ANLNVDGIPNUVCH-LBPRGKRZSA-N 296.436 3.920 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1C)C(C)(C)C 431750427 AZNDRKLUEJOQCT-AWEZNQCLSA-N 273.380 3.813 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(Cl)ccc2c1CCO2 433504597 YCPZSMFLLLEODF-UHFFFAOYSA-N 294.782 3.705 30 20 CHED N#Cc1c(Cl)nsc1Nc1ccc2[nH]ccc2c1 92654160 ZOUBKEPFQXQQEP-UHFFFAOYSA-N 274.736 3.893 30 20 CHED CC1(C)C[C@@H](Nc2cnccc2C#N)c2ccccc21 91744713 PCUOIOCQQSNLKZ-OAHLLOKOSA-N 263.344 3.788 30 20 CHED CC[C@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)CC1 332264306 BDPDABPPVMKEAA-FHERZECASA-N 291.439 3.538 30 20 CHED CCCCOc1cccc(CNc2cc(C#N)ccn2)c1 341719260 BHPDNUVQORZVFC-UHFFFAOYSA-N 281.359 3.744 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCCc2cccc(C#N)c2)o1 341473467 VRGVPXWKFKQULK-DYVFJYSZSA-N 280.371 3.607 30 20 CHED CCc1ccc([C@@H]2CCN(c3ccnc(C#N)c3)C2)cc1 431498633 AUQVXPLRQFLMAI-MRXNPFEDSA-N 277.371 3.510 30 20 CHED C[C@@H](C#N)CNC(=O)C1(C2CCCCC2)CCCCC1 525920193 NZFSLPIXLNUOQX-AWEZNQCLSA-N 276.424 3.793 30 20 CHED Cc1csc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1C#N 344919816 FHZDPTXWQQEWQG-MWLCHTKSSA-N 262.378 3.693 30 20 CHED Cc1ccnc(N[C@H](C)c2cccc(F)c2F)c1C#N 343522025 WBMBQXSMPQPBPP-SNVBAGLBSA-N 273.286 3.713 30 20 CHED CN(C)c1c(Cl)cccc1NC(=O)c1cccc(C#N)c1 343265665 FHYIWHLLHYTYRV-UHFFFAOYSA-N 299.761 3.530 30 20 CHED CN(Cc1cccc2[nH]ccc12)c1nccc(C#N)c1Cl 343215381 BJKIZVBUGPEHCQ-UHFFFAOYSA-N 296.761 3.724 30 20 CHED C=CC[C@H](Cc1ccccc1)n1cc(CSC)nn1 600969736 AIUJUPCDALDMLQ-OAHLLOKOSA-N 273.405 3.501 30 20 CHED CC(C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609512896 FYUBIIZDNGLZFI-UHFFFAOYSA-N 294.354 3.683 30 20 CHED CSCCCS[C@@H](C#N)CCc1ccccc1 601084212 XPLDMGOHWALMPM-CQSZACIVSA-N 265.447 3.998 30 20 CHED CC[C@@H]1Cc2c(cccc2-c2ccc(C#N)s2)CN1 600777701 RVZLHADKUCVBPA-GFCCVEGCSA-N 268.385 3.711 30 20 CHED C=CCNC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 523539025 DPHLRRZZYMPYRI-SECBINFHSA-N 287.190 3.582 30 20 CHED CC(C)(CCC#N)CNC(=O)CCc1ccc(Cl)s1 345998924 MDPDFGWMXJGCGU-UHFFFAOYSA-N 298.839 3.780 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)c2ccsc2)cc1 345748271 JJNKZSMWFAQIKM-LRDDRELGSA-N 298.411 3.795 30 20 CHED COc1cccc(CCCSCC2(C#N)CC2)c1 344467487 DKKUYDWXBVQVEJ-UHFFFAOYSA-N 261.390 3.665 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(C#N)s1 255304840 YPKWCMNHSKOKGW-HYXAFXHYSA-N 259.355 3.886 30 20 CHED O=C(/C=C\c1c(Cl)nc2ccccn12)c1cccs1 255888031 SGKOSQUIMRBHPM-SREVYHEPSA-N 288.759 3.945 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)c(C#N)c1)C1CCCCC1 525662234 IPIFYEGXRLHPNL-ZDUSSCGKSA-N 295.386 3.975 30 20 CHED C=CC[C@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1 604880257 LCNSEJANIUGEDT-AWEZNQCLSA-N 273.420 3.998 30 20 CHED C=CC[C@@H]1N(C(=O)CCc2ccco2)CCCC1(C)C 347432218 OEDXJQHNUBXFIO-HNNXBMFYSA-N 275.392 3.806 30 20 CHED Cc1cc(NCc2ncoc2-c2ccccc2)cc(C#N)n1 342514072 RWZDZJKEBPVAQD-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 448724872 MSXKAOGLOXFGMZ-CGTJXYLNSA-N 298.430 3.969 30 20 CHED N#CC1(C(=O)NCCCCc2ccccc2)CCCCC1 604394808 LMAAXBXOMWEAPD-UHFFFAOYSA-N 284.403 3.600 30 20 CHED N#CCCCOc1cccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1 448732315 LCDVFLFFRMZEPN-JKIFEVAISA-N 298.386 3.744 30 20 CHED C=CCn1c(C)nnc1N(C)[C@H](C)c1cccc(Cl)c1 350622608 CMVUQPBVGIULNV-LLVKDONJSA-N 290.798 3.623 30 20 CHED O=C(/C=C\c1cccs1)c1ccc2c(c1)CCO2 255567037 MBRCVRJTGDGOSJ-PLNGDYQASA-N 256.326 3.579 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(F)c1Cl 352924699 CDBCOUIJFRRHFG-MRVPVSSYSA-N 256.708 3.565 30 20 CHED CCc1csc(NC(=O)C[C@@H](CC#N)c2ccccc2)n1 355671557 JDLYJVSRYOLMRH-CYBMUJFWSA-N 299.399 3.732 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)C(C)(C)C 602668151 BSQQOKICRKGYLV-CQSZACIVSA-N 280.456 3.747 30 20 CHED N#Cc1cc2c(nc1NCCc1cccc(Cl)c1)CCC2 603839493 OVNNDTZZWOTCBE-UHFFFAOYSA-N 297.789 3.750 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)NC[C@H](C)CCC#N 602704045 BBFYBKVWJWNXSD-CJNGLKHVSA-N 262.372 3.676 30 20 CHED N#Cc1cccc(CN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1 602648907 POGRGZOMZOFFAG-GOEBONIOSA-N 295.361 3.518 30 20 CHED CC[C@@](C)(NCc1cccc(C#N)c1F)c1nccs1 352892332 JSEHPDUEPSQDJQ-OAHLLOKOSA-N 289.379 3.569 30 20 CHED Cc1cccc([C@@H](C)Nc2cccnc2C#N)c1C 357531016 IXPQBBDGYPNRPQ-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#Cc1ccc(NC(=O)NC(C2CCC2)C2CCC2)cc1 353309903 QTLKKYIRDQDOMA-UHFFFAOYSA-N 283.375 3.649 30 20 CHED CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(F)cc1 353618483 GRHRRKZUBMUNHN-KRWDZBQOSA-N 298.361 3.947 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(c3cccnc3)CCCC2)C1 617778725 MUSWOYCEEUYXPY-INIZCTEOSA-N 298.430 3.708 30 20 CHED CO[C@@H]1[C@H](C)[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1(C)C 539393355 PJIRTOAEHROVQC-SSKCKEOISA-N 295.386 3.578 30 20 CHED C=C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 354122101 XHXKJANGSPXEBV-UHFFFAOYSA-N 288.149 3.925 30 20 CHED CC[C@@H](CC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(C)C 618735336 KSJQGGZMHMQODT-YOEHRIQHSA-N 284.403 3.734 30 20 CHED N#C[C@H]1CC[C@H](NCC2(Cc3ccccc3)CCC2)C1 442831726 WWCGSQYOGYALBC-IRXDYDNUSA-N 268.404 3.681 30 20 CHED Cc1cc(C)cc(C[C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 442866771 MQOHDBXETUIGJA-YQQAZPJKSA-N 256.393 3.516 30 20 CHED N#Cc1cccc(Cl)c1N[C@H]1CCC(F)(F)C1 610785937 GSBMFYZQTSFVJB-VIFPVBQESA-N 256.683 3.811 30 20 CHED C=CCCN1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 532244511 XBCZYDXBETYOIB-RBUKOAKNSA-N 284.447 3.549 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCC[C@H]1CCCCO1 612830348 BPPRLJZBAXSQNC-IEBWSBKVSA-N 298.430 3.875 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 611115235 ZTFIHEDZNPPWST-SWLSCSKDSA-N 292.810 3.573 30 20 CHED C=CCN(CCOC)C(=O)c1ccc(C2CCCC2)cc1 355984002 KQPIRXFBDDIKTL-UHFFFAOYSA-N 287.403 3.619 30 20 CHED C[C@H](Sc1ccc(Cl)cc1C#N)C(=O)NC(C)(C)C 610655284 XZLAFFPOTUOWOR-VIFPVBQESA-N 296.823 3.607 30 20 CHED C=CCCCC(=O)Nc1c(F)cccc1NC1CC1 268288610 TUOGPMUPTCRRRL-UHFFFAOYSA-N 262.328 3.695 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 617784009 LMMIKPWGXUWREK-CHWSQXEVSA-N 263.406 3.666 30 20 CHED C=CC(C)(C)c1nc(Cc2cc(Cl)ccc2OC)no1 453063472 FTZDMGHISQLFBG-UHFFFAOYSA-N 292.766 3.786 30 20 CHED C=CCC1(C(=O)Nc2cccc3nc(O)oc23)CCCC1 451819947 XGCRNYRSXFMAPZ-UHFFFAOYSA-N 286.331 3.608 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C)c(Cl)c1Cl 450468700 OVIVFGJKPKQTPC-UHFFFAOYSA-N 272.175 3.950 30 20 CHED Cc1ccc(-c2nnc(SCC3(C#N)CC3)o2)c(C)c1 611232542 FXTFKXYFAQHXPP-UHFFFAOYSA-N 285.372 3.749 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCc1cccnc1 457953012 WXPZSKOTXJGNNM-WMLDXEAASA-N 274.408 3.511 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 458992079 VDPNZOZWVLEQFU-SNVBAGLBSA-N 292.345 3.571 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1cccc(-c2ccncc2)c1 453363043 QGYHJXHNAPGSGO-BEFAXECRSA-N 296.414 3.726 30 20 CHED CC(=O)Nc1ccc(S[C@@H](C#N)Cc2ccccc2)cc1 611012395 RAKJPJQDNJYAML-QGZVFWFLSA-N 296.395 3.872 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(C(C)(F)F)cc1 452785444 SYTDUPIYBVZKPG-UHFFFAOYSA-N 267.319 3.740 30 20 CHED C=C(CC)CNC(=O)Cc1cccc(Cl)c1Cl 456812455 MVDBNFMCJZLLSJ-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)c1cn(C)c2ccccc12 452775767 PHCSNDSFMVHQDU-ZDUSSCGKSA-N 284.403 3.610 30 20 CHED N#Cc1cccnc1N[C@H]1CC[C@H](c2ccccc2F)C1 360267260 NTTZXGUFPPCYEV-JSGCOSHPSA-N 281.334 3.841 30 20 CHED C[C@@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1cccs1 618789534 KBEWDKQATLNETR-IAQYHMDHSA-N 296.395 3.527 30 20 CHED C[C@@H](NCc1nc2ccccc2o1)c1cccc(C#N)c1 611388614 LGJOKTXFSNIRIO-GFCCVEGCSA-N 277.327 3.550 30 20 CHED C[C@@H](CCN1CCC[C@](C)(C#N)C1)OCc1ccccc1 616113719 FWSCNZSVWBSMMM-FUHWJXTLSA-N 286.419 3.607 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 452196091 RILQDYFFLGADLI-KBPBESRZSA-N 287.403 3.722 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OCC)c2cccnc12 276121832 WVLYLMNRNJSGPQ-UHFFFAOYSA-N 299.374 3.673 30 20 CHED N#Cc1cc(NCCCCc2ccccc2)ccc1[N+](=O)[O-] 613267467 NBAUBITVSNCWIL-UHFFFAOYSA-N 295.342 3.901 30 20 CHED CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCCO1 360650602 YWFYTCLRMLXBAB-OTWHNJEPSA-N 298.430 3.873 30 20 CHED C=CCC1(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CCCC1 456508656 PGFXMZFHQBIKRI-HNNXBMFYSA-N 296.414 3.914 30 20 CHED N#CC[C@@H]1CC[C@H](N=c2ccc3ccc(Cl)cc3[nH]2)C1 450673117 NVYVIAIHTQHGEA-FZMZJTMJSA-N 285.778 3.804 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2ccccc2CC#N)cc1 549715454 MCYMILKZNGPJLY-HNNXBMFYSA-N 292.382 3.878 30 20 CHED C=CCOc1ccc(OCc2ccc(CC#N)cc2)cc1 543149271 JHQUODJGBHSDGC-UHFFFAOYSA-N 279.339 3.896 30 20 CHED C=C(CC)CNC(=O)c1c(-c2ccccc2)noc1CC 456809886 CQLMHPJOBMJXLN-UHFFFAOYSA-N 284.359 3.600 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc2c(s1)CSCC2 368598172 NCJLQHMZZWVYSW-UHFFFAOYSA-N 294.445 3.639 30 20 CHED Cc1ccc(Cl)cc1NC(=O)NCC(C)(C)CC#N 459227236 FRHXQUPQKXJCAE-UHFFFAOYSA-N 279.771 3.710 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)c1c[nH]c2ccccc12 452778302 XOUBWEIAGLYAGQ-CYBMUJFWSA-N 284.403 3.990 30 20 CHED CN(CCCc1ccsc1)Cc1ccc(C#N)cc1 361015413 SQXHJVUFOQBMHZ-UHFFFAOYSA-N 270.401 3.684 30 20 CHED Cc1ccccc1[C@@H]1CN(CCCC(C)(C)C#N)CCO1 364316601 BGTBYXTWXYUYAT-KRWDZBQOSA-N 286.419 3.698 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@]2(CCSC2)C1 451963116 HBRHYTAVPROKFO-INIZCTEOSA-N 280.481 3.926 30 20 CHED Cc1cnc([C@@H](C)CNc2snc(Cl)c2C#N)s1 273189994 CMMQVMYLICCZHR-LURJTMIESA-N 298.824 3.649 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C)c(OCC(F)F)c1 454690511 MZWWSFGXECVTAE-UHFFFAOYSA-N 298.333 3.727 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](CCc1ccccc1)C(F)F 628763611 FGKNLNAFNFHMPA-ZDUSSCGKSA-N 281.346 3.581 30 20 CHED CC#CCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 546630824 HBYSMYRFCUBIHP-XHSDSOJGSA-N 261.409 3.607 30 20 CHED C=CCN(C(=O)c1csc(C(C)C)n1)C(C)(C)C 622943485 DNPAWAMKXPPFBJ-UHFFFAOYSA-N 266.410 3.693 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 464559624 ISVFHZBUGZYTDB-OWCLPIDISA-N 261.409 3.655 30 20 CHED C=CCOCCCC(=O)N(CCC)CC1CCCCC1 463188129 FURYHFBCCHDJBA-UHFFFAOYSA-N 281.440 3.788 30 20 CHED C=CCOc1c(Cl)cc(CN[C@H](C)C2CC2)cc1OC 623341607 KSABEUHUDDTHPR-LLVKDONJSA-N 295.810 3.802 30 20 CHED CCCCN(CCCSCC#N)Cc1ccccc1O 282538660 VTSGBIDKVXILDH-UHFFFAOYSA-N 292.448 3.641 30 20 CHED Cc1c(Cl)cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1Cl 460066974 MIUGBLOFFNZBTJ-WPPNPWJKSA-N 283.158 3.790 30 20 CHED C=C(C)[C@H](NCC1CC(OCC)C1)c1ccc(F)c(F)c1 285455781 YJWCXCRDCKHWLJ-AJUCZRQESA-N 295.373 3.987 30 20 CHED C=CCN(CCC#CC)Cc1ccc(Cl)s1 462313371 LOJOXPWEFLWPSN-UHFFFAOYSA-N 253.798 3.803 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2ccccc2)CCCC1 466535931 KBPDTZCKGFRLNZ-MRXNPFEDSA-N 271.404 3.969 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2c(Cl)cccc2n1C 467917400 AMCFWACQEJMTDC-HNNXBMFYSA-N 291.782 3.768 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NC[C@H](C)C#N 556838605 LULTVMRDQPOOPI-XYSPPFBYSA-N 290.451 3.895 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)[C@@H](C)c1ccco1 289531428 DBDPOBUQICZCNV-LBPRGKRZSA-N 286.379 3.522 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCC1(C)C 554341444 HZEMPKDZQAVBAY-MRXNPFEDSA-N 286.419 3.963 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)c1cccc(C#N)c1 461901902 JCBYTWCSTPLWIU-UNEWFSDZSA-N 284.403 3.747 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2c(C)cnn2C)cc1C 285354495 NAESENXPBLSFKI-VOTSOKGWSA-N 268.360 3.550 30 20 CHED C=C(Cl)COc1cc(F)c([N+](=O)[O-])cc1Cl 380873844 NBAOBCDLOGMVIQ-UHFFFAOYSA-N 266.055 3.519 30 20 CHED N#CC1(CCCN2CCCc3ccccc3C2)CCOCC1 281966124 KTRFFMGRHKCIDC-UHFFFAOYSA-N 298.430 3.535 30 20 CHED CCC[C@@](C)(O)CNc1cc(C#N)ccc1C(F)(F)F 475425622 ZLARTMMRZYFAIA-CYBMUJFWSA-N 286.297 3.540 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccco1 631753211 HDAMXHUXRRKKDZ-OUAUKWLOSA-N 259.271 3.827 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(CC)CC(C)C 558447882 MWBGCDLSQYGGJV-UHFFFAOYSA-N 276.428 3.604 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C)c1ccccc1C)C(C)(C)C 807881915 FUHDJOJWEVXXMD-GOEBONIOSA-N 271.404 3.653 30 20 CHED C[C@@](C#N)(NC(=O)c1sccc1Cl)C1CCCCC1 552187986 BPGUYOGKNJCNBS-AWEZNQCLSA-N 296.823 3.994 30 20 CHED CC(C)[C@H]1CN(C(=O)c2cccc(C#N)c2)c2ccccc21 470383395 QPPDOTTVAMOCLL-QGZVFWFLSA-N 290.366 3.958 30 20 CHED CN(CCc1ccc(Cl)cc1)[C@H]1CC[C@H](C#N)C1 293215111 VDKPPVAZKCHHOW-ZFWWWQNUSA-N 262.784 3.507 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc2cnccc12 636448940 WPFBFNSJFGDDAP-MRXNPFEDSA-N 254.333 3.776 30 20 CHED C=C(C)[C@H](NC[C@@H]1CCCOC1)c1ccc(F)c(F)c1 479409950 KUWNZDVHXHHFJY-LRDDRELGSA-N 281.346 3.598 30 20 CHED CC1(C)CC[C@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 805319312 SAXNRCKBIVVXHS-LLVKDONJSA-N 297.185 3.783 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 473327983 NYXHXWXURLTRKV-BZUAXINKSA-N 297.402 3.957 30 20 CHED C=CCOCCCN1CC[C@@H](c2cc(C)cc(C)c2)C1 470770123 YARZIFSKUZUIID-QGZVFWFLSA-N 273.420 3.685 30 20 CHED CC(C)[C@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 298517289 SSAUDIRZZOWTOJ-ZDUSSCGKSA-N 287.407 3.996 30 20 CHED C=CCCCCCCNC(=O)c1scnc1CC 805221871 WTRGYHOPFBBDFC-UHFFFAOYSA-N 266.410 3.572 30 20 CHED C[C@@H](C#N)OCCN(Cc1ccc2ccccc2c1)C1CC1 801915718 MRESVJJNTQUZRY-HNNXBMFYSA-N 294.398 3.733 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(=Cc3ccccc3F)CC2)C1 292738021 HCMGVGSVQNFNBA-WBVHZDCISA-N 284.378 3.997 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(F)c1Cl)OCC 290254326 YDSXQGSPPZAEFA-LBPRGKRZSA-N 285.746 3.789 30 20 CHED CC[C@H](SC)C(=O)Oc1cc(C)c(C#N)c(C)c1C 809037879 LBJINBTXXNJMJL-AWEZNQCLSA-N 277.389 3.531 30 20 CHED Clc1cccc(C#CCn2cnc(Cl)c2Cl)c1 809961530 JALFKAGMHMOUAQ-UHFFFAOYSA-N 285.561 3.895 30 20 CHED N#Cc1cc(NC(=O)/C=C\c2ccccc2)nc2ccccc12 809072495 OXMYPCIBJZVNBY-KHPPLWFESA-N 299.333 3.758 30 20 CHED C#C[C@H](CC)NCc1ccc(SC(F)F)cc1 809685692 LQLZFBJOAHVCFS-LLVKDONJSA-N 255.333 3.503 30 20 CHED C=CCN(CC=C)C(=O)Cc1ccc(C(C)(C)C)cc1 479816546 IIUUTOAEVWBUKL-UHFFFAOYSA-N 271.404 3.727 30 20 CHED C=CCCCCCCNC(=O)N1[C@@H](C)CC[C@H]1C 807569314 DUKSSQIRBVHHPT-OKILXGFUSA-N 252.402 3.705 30 20 CHED CC[C@@H](Nc1cc(C#N)ncn1)c1ccc(Cl)s1 569188481 YSUYLDOMTGLLON-SECBINFHSA-N 278.768 3.626 30 20 CHED C[C@@H](CC(=O)N(C)[C@@H](C)C#N)c1ccccc1C(F)(F)F 297934396 SKIHJWDPSKBKPZ-QWRGUYRKSA-N 298.308 3.569 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC12CCCC2 474386954 YYFSPFGNEMKWIU-INIZCTEOSA-N 269.388 3.782 30 20 CHED CC#CC(=O)N[C@H](c1ccc(CCCC)cc1)C(C)C 801112470 USMOZTATFLXBOR-SFHVURJKSA-N 271.404 3.866 30 20 CHED COCCCCc1cccnc1N[C@H]1CCC[C@@H](C#N)C1 291142788 YEZDXRNBUKZQQV-ZBFHGGJFSA-N 287.407 3.545 30 20 CHED C=CCCCCNCc1ccc(OC[C@H]2CCCO2)cc1 472060440 UKXLQCCSKPRNMJ-GOSISDBHSA-N 289.419 3.690 30 20 CHED COc1ccc([C@@H](C)COC(=O)CCCCCC#N)cc1 805905503 OGNRYPDDJJMSRY-AWEZNQCLSA-N 289.375 3.816 30 20 CHED C=CCOCCCN1C[C@@H](C)C[C@@H]1c1ccccc1F 470782071 PSXQSFIGEGQYAT-WMLDXEAASA-N 277.383 3.801 30 20 CHED CCC(CC)NC(=O)[C@H](C)Sc1ccc(C#N)c(C)c1 563128717 JAKGZKFLSZJIBT-LBPRGKRZSA-N 290.432 3.652 30 20 CHED Cn1cc(CN2CC[C@H](c3cccc(Cl)c3)C2)cc1C#N 560569701 PQAXTQFAWXGUTD-HNNXBMFYSA-N 299.805 3.540 30 20 CHED C=CCOCCCN[C@@H](C)c1cccc(OC(C)C)c1 470779562 NLZOWABVEGLPGP-HNNXBMFYSA-N 277.408 3.717 30 20 CHED C=CCOCCN(CCCC)[C@@H](C)c1ccc(C)o1 645081311 ZFXQFMJBFVISGN-HNNXBMFYSA-N 265.397 3.954 30 20 CHED CC(C)[C@@H](NCCO[C@@H](C)C#N)c1ccc(Cl)cc1 801910832 BNSZQYYBVXDIIC-SWLSCSKDSA-N 280.799 3.555 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1c1ccsc1 488511636 YJEHAWBJKBDHKQ-AWEZNQCLSA-N 286.400 3.713 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3scnc3C)c2c1 488269065 ZMPHYSUQDYTWRO-UHFFFAOYSA-N 295.367 3.759 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cc3ccccc3o2)c1 812379605 WKMPOHPCSNEUOW-UHFFFAOYSA-N 281.271 3.787 30 20 CHED c1cnc(C(CC2CCCCC2)=NOC2CCC2)nc1 812237309 UGLVAEIYWWLLFT-UHFFFAOYSA-N 273.380 3.720 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NOCCC(F)(F)F 814910428 VELDIBSJMMUBCB-SECBINFHSA-N 262.275 3.661 30 20 CHED Cc1cccc2cc(C=NOCC3CC3)c(Cl)nc12 814243082 DWZZNAKOTOWTAA-UHFFFAOYSA-N 274.751 3.957 30 20 CHED CSC1(CN=c2c(C#N)c[nH]c3ccc(C)cc23)CCC1 487771374 XBXWHMUVSPZFJG-UHFFFAOYSA-N 297.427 3.534 30 20 CHED Cc1cc(F)ccc1NN=Cc1nc2c(s1)CCC2 814884832 ACVZKQVUIKSOOB-UHFFFAOYSA-N 275.352 3.525 30 20 CHED C=C(C)[C@H](N[C@H]1CN(CC)C[C@@H]1C)c1ccc(F)c(F)c1 480679114 VAYVQYOTFUIHSE-ZLIFDBKOSA-N 294.389 3.512 30 20 CHED C=CCC(C)(C)c1noc(COC2CCCCC2)n1 815708238 MGNOBWAWXZXHID-UHFFFAOYSA-N 264.369 3.773 30 20 CHED Cc1cccc2c1[C@@H](OC(=O)c1sccc1C#N)CCO2 814029395 UBDLAPJHZSXFIO-ZDUSSCGKSA-N 299.351 3.609 30 20 CHED CC1(C)C[C@H](NN=C2CC[C@H](c3ccccc3)C2)CCO1 814907878 BVFKQAXRVJCLOP-DOTOQJQBSA-N 286.419 3.857 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CS[C@@H](C(C)(C)C)C1 488588317 KSZHQJIKWMSFPG-IUODEOHRSA-N 290.432 3.899 30 20 CHED CCCCCCCCN1CC[C@@H](n2cc(C)cn2)C1 810121575 ZEMGFCWAWARQOI-MRXNPFEDSA-N 263.429 3.799 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1cc2c(s1)CCCCC2 573298194 PLLJOLMQKQTZKP-AWEZNQCLSA-N 290.432 3.685 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(Cl)cc1 573366037 FOTKYHAUMLHDPN-BJJXKVORSA-N 279.811 3.972 30 20 CHED c1ccc(CCCNN=C2CCc3cccnc3CC2)cc1 817326542 RENURCVPJNPBAA-UHFFFAOYSA-N 293.414 3.539 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C#N)o2)cc1 814117903 OFZBAQYIRCXVLM-INIZCTEOSA-N 294.354 3.827 30 20 CHED C[C@H]1CCN(Cc2cc(C#N)n(C)c2)CC12CCCCC2 483304340 JENXFODLGBZETC-HNNXBMFYSA-N 285.435 3.689 30 20 CHED C=CCCCCOC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 811012284 FCVBINPZNWYAQI-LSDHHAIUSA-N 268.397 3.727 30 20 CHED C=CCCN(C)C(=O)c1cnn(C(C)C)c1-c1ccccc1 489563908 DEJYBWOPUYCBKC-UHFFFAOYSA-N 297.402 3.779 30 20 CHED CCCCN(CC)C(=O)Nc1scc(C)c1C#N 570580271 QXIBELGDSCCNBJ-UHFFFAOYSA-N 265.382 3.582 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1csc(C(C)(C)C)n1 488855545 AQSMCBOQBOSVRT-ZDUSSCGKSA-N 292.448 3.550 30 20 CHED CC(=NNc1ccc(F)cc1)[C@H](C)NC(=O)OC(C)(C)C 811630260 WPNUDUFCYUDMPD-JTQLQIEISA-N 295.358 3.527 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2ccc3nc(O)[nH]c3c2)c1 728158377 YQFKBIJMIDQNGX-ZZXKWVIFSA-N 292.338 3.781 30 20 CHED CC[C@@H](C)[C@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 497330992 GOOOODWQTDTWIM-ZBFHGGJFSA-N 286.419 3.824 30 20 CHED Cc1cccc2c1CCC2=NNc1oc(C(C)C)nc1C#N 729144986 DYOADFSFKSGAPQ-UHFFFAOYSA-N 294.358 3.741 30 20 CHED Cc1cc(NC(=O)CC2(C#N)CCCCC2)cnc1Cl 829451389 OTPUQYJWGZFIIF-UHFFFAOYSA-N 291.782 3.846 30 20 CHED CCCCCCCC(=O)NCc1cc(F)ccc1F 729437819 FLMVKAGAMOMZFJ-UHFFFAOYSA-N 269.335 3.942 30 20 CHED N#CC1(CCCCOC(=O)COC2CCCCC2)CCC1 908921844 OTOGPKCOPGVEBK-UHFFFAOYSA-N 293.407 3.743 30 20 CHED CC(=NNc1ccc(Cl)cc1C)c1cc2n(n1)CCC2 905507029 VKLNTYNGUQDSTD-UHFFFAOYSA-N 288.782 3.627 30 20 CHED CC(C)[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 733697511 IECCJKFWRHNQJR-MWLCHTKSSA-N 290.363 3.904 30 20 CHED C=C[C@H](CC)CC(=O)N(CC(F)(F)F)c1ccccn1 902817430 GUINSCRLAVLSMQ-LLVKDONJSA-N 286.297 3.579 30 20 CHED C=CCNC(=S)N[C@H](CC(C)C)c1ccccc1C 732725317 YMUMMIRQLKIUGP-OAHLLOKOSA-N 276.449 3.732 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)CCCCCC#N)n1 588651580 XXBPOORVVUFMRH-INIZCTEOSA-N 285.391 3.528 30 20 CHED Cc1cc(C=NN[C@@H](C)C(F)(F)F)ccc1Cl 834997416 BZBMJQVFHBHHCD-QMMMGPOBSA-N 264.678 3.523 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc2ccccc12 901138772 TXOJIHOFJAKSTR-RDJZCZTQSA-N 281.355 3.760 30 20 CHED CCCCCOc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 834761064 NJBSTWQTKJYDGW-IZZDOVSWSA-N 298.386 3.885 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 839035519 YGUNWAFYCYLKLI-SDDRHHMPSA-N 276.298 3.700 30 20 CHED Fc1cccc(C=NOCc2ccccc2OC(F)F)c1 735488435 MGFRXDXWLLZYDI-UHFFFAOYSA-N 295.260 3.978 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC[C@H](C)CC 583863828 HYLXJHKULKSPEZ-CYBMUJFWSA-N 252.402 3.791 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccnc3ccccc23)c1 731314516 GOAJLDYIUWQRPQ-UHFFFAOYSA-N 292.298 3.589 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccnc(-c3ccco3)c2)C1 905928973 JFOOSKHNBDTZCZ-OCCSQVGLSA-N 296.326 3.581 30 20 CHED CC(C(=O)Nc1cccc(CC#N)c1)=C1CCCC1 837071241 CXNZEVMHSIWWMW-UHFFFAOYSA-N 254.333 3.582 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccccc1COC 839120768 NYZGKYFQMFSBQM-UHFFFAOYSA-N 260.333 3.507 30 20 CHED CS[C@@H]1CCCC(=NNc2cnnc3ccccc23)C1 901196437 OLMSGRXZIKOQLX-GFCCVEGCSA-N 286.404 3.703 30 20 CHED C=CCC1(C(=O)OCc2cn(C)nc2C(F)F)CCCC1 835455669 OABPAWAHSDODNZ-UHFFFAOYSA-N 298.333 3.537 30 20 CHED C#CCCCCCC=NNc1nc2cc(F)c(F)cc2[nH]1 834939204 UJBCJFMTIKHNLU-UHFFFAOYSA-N 290.317 3.823 30 20 CHED COc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1C1CC1 839059851 RUZNRNYXXQKODI-IUODEOHRSA-N 299.370 3.812 30 20 CHED C=CC[C@H](NC(=O)C[C@H](C)CCC)c1ccncc1 734455693 KQKBCHWMOBEWAV-HIFRSBDPSA-N 260.381 3.641 30 20 CHED C[C@](C#N)(NC(=O)/C=C/c1cccs1)C1CCCCC1 734240925 WRCSMEGQSYEDAI-ZNFPLGDCSA-N 288.416 3.740 30 20 CHED Cc1ccc(C)c(C=NNc2cnnc3ccccc23)c1 733750098 MCHCSZTWMFYFFG-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C#CCN(Cc1ccccc1)[C@H](C)c1nc(CCCC)no1 839600369 BBQLGKVRNSZZBL-OAHLLOKOSA-N 297.402 3.609 30 20 CHED N#Cc1ccc(NN=Cc2c(F)cccc2Cl)cc1 915961284 DLWVHRGMINGCBL-UHFFFAOYSA-N 273.698 3.797 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc2c(c1)OCO2 916255228 KVDDGYFHRDOVHO-UHFFFAOYSA-N 268.316 3.560 30 20 CHED C#CCCOc1ccc(CNCCCCCC)cc1 733323196 OIEUXUSOTKRZTQ-UHFFFAOYSA-N 259.393 3.759 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2c(Cl)cccc2s1 674952551 HOAXORZFWFZFOQ-MRVPVSSYSA-N 265.765 3.859 30 20 CHED CC1(C)CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 597545153 NAHHGJYKLFANLH-AWEZNQCLSA-N 276.424 3.936 30 20 CHED CC[C@@H]1CCC[C@H](C)N1CCCC1(C#N)CCOCC1 595867746 PYYQCXZZJKIGLF-JKSUJKDBSA-N 278.440 3.740 30 20 CHED N#CC[C@@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 596332165 XAIDXWNJIOFWPS-NSHDSACASA-N 293.292 3.707 30 20 CHED C#CCN(C[C@@H]1CC1(Cl)Cl)[C@H]1CCc2ccccc21 747528832 OTHMVQQRWVYVEK-ZFWWWQNUSA-N 294.225 3.803 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CC#N)C1 597909532 MZXMXSMNAXKOHN-ROUUACIJSA-N 298.430 3.654 30 20 CHED Cc1c(C#N)cccc1NC(=O)CC[C@H]1CC1(Cl)Cl 830628728 VFEGGGJTZYWFAC-NSHDSACASA-N 297.185 3.779 30 20 CHED FC(F)(F)c1cccc(NN=CC2CCCC2)n1 741842764 LQKFBPWBZXOLEX-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C=CCCSCCNC(=O)Nc1nc(CCC)cs1 596821303 RPGGMFISWHIDGI-UHFFFAOYSA-N 299.465 3.526 30 20 CHED CCC(Cc1ccc(C)cc1)=NOCc1cccnc1 746585605 ICWDLBBLERWMNM-UHFFFAOYSA-N 268.360 3.915 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1c(C2CC2)cnn1C 849244368 ZVAPSKBGJYHCGI-BQYQJAHWSA-N 296.370 3.511 30 20 CHED CCCC[C@H](C(=O)NC1(C#N)CCCCC1)C(C)C 598652639 ORCHJXISTHTTFS-AWEZNQCLSA-N 264.413 3.791 30 20 CHED CSc1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)cc1 596661647 OLWPKDYILVXOIW-LBPRGKRZSA-N 289.404 3.566 30 20 CHED C=C[C@H](C)ONC(=O)C(C)(C)Cc1cccc(Cl)c1 846546910 MFFXEIIARVEZCO-NSHDSACASA-N 281.783 3.531 30 20 CHED CCc1cnc(NC(=O)CC2(C#N)CCCCC2)s1 597303423 GTVIXNRMBSFWNT-UHFFFAOYSA-N 277.393 3.508 30 20 CHED N#CC1(CCOC(=O)CC[C@H]2CCCCO2)CCCCC1 840228746 RZCHUSITMXEPKX-OAHLLOKOSA-N 293.407 3.743 30 20 CHED COc1ccc2oc(C(=O)OCC3(CC#N)CC3)c(C)c2c1 744276631 FUBWKVMBYNDYSC-UHFFFAOYSA-N 299.326 3.601 30 20 CHED Clc1ccc(C=NNc2ccccn2)cc1Cl 916276200 PJFHCTPYWZVYAF-UHFFFAOYSA-N 266.131 3.834 30 20 CHED C#CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 743691141 SVDWYRRINRROBN-HNNXBMFYSA-N 292.810 3.750 30 20 CHED C[C@H](OC(=O)c1ccccc1CC#N)c1ccccc1F 919035103 WGLQTPLSTMVOIE-LBPRGKRZSA-N 283.302 3.810 30 20 CHED CCON=Cc1csc(COc2ccc(Cl)cc2)n1 918710925 KUIYKGYKIGYMIK-UHFFFAOYSA-N 296.779 3.746 30 20 CHED CC[C@@H](CSc1nc(C)nc(C)c1C#N)CC(F)F 594885445 HKCWIRKACLUFQQ-SNVBAGLBSA-N 285.363 3.739 30 20 CHED Cc1ccc(CN2CCC[C@@H](CC#N)C2)cc1Cl 597177607 QERMKNSDAIPEOR-ZDUSSCGKSA-N 262.784 3.774 30 20 CHED C=CCN(CCOC)[C@@H](C)c1ccc(Br)cc1 683040537 AYOBAJOAYGPLCC-LBPRGKRZSA-N 298.224 3.645 30 20 CHED CC(=NNc1ccnc2cc(Cl)ccc12)[C@H]1CCOC1 741756123 CKZLPYUTJMZMMK-NSHDSACASA-N 289.766 3.713 30 20 CHED CCC(=NNc1ccc(Cl)nn1)c1cc(F)ccc1F 743420577 FDBGPJHBCYMKKA-UHFFFAOYSA-N 296.708 3.634 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCc2cc(O)ccc2C1 683722932 LYBSQUHRBWJPBW-HZPDHXFCSA-N 259.393 3.584 30 20 CHED N#CC1(CC(=O)NC2(c3ccccc3)CC2)CCCCC1 597075509 AZJYENICWFNXLD-UHFFFAOYSA-N 282.387 3.656 30 20 CHED CCCC(Cc1ccccc1)=NOCc1cccnc1 746585529 GWTBRWOCFBYZTK-UHFFFAOYSA-N 268.360 3.997 30 20 CHED Oc1ccc(C=NNc2ccc(F)cc2F)cc1Cl 921253618 NVBPZNYTWIYDKU-UHFFFAOYSA-N 282.677 3.770 30 20 CHED CCO[C@@H](CCN[C@H](C)CC(C)(C)C#N)C1CCCC1 925207618 QSVRDAYLAIKOIX-ZBFHGGJFSA-N 280.456 3.890 30 20 CHED C=CC[C@@H](NC(=O)N1C[C@@H](C)CC1(C)C)c1ccncc1 746765805 KUEPDELBCFAKSU-DZGCQCFKSA-N 287.407 3.529 30 20 CHED C[C@@H]1OCCC1=NN=C1c2ccccc2-c2ccccc21 747750661 CHMDJUZOMQHDGL-LBPRGKRZSA-N 276.339 3.669 30 20 CHED COc1ccc(C=NNc2c(C)cc(C)cc2C)cc1C#N 743445476 WHSCTIGJMOXVBQ-UHFFFAOYSA-N 293.370 3.938 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(O[C@H]2CCOC2)cc1 925879069 TYSZIZUYAKLBFS-BBRMVZONSA-N 288.391 3.595 30 20 CHED CCC[C@@H](/N=C\c1ccc(O)c(O)c1O)c1ccccc1 920947162 DLGWRNDUNCVSCX-JVVDOCDTSA-N 285.343 3.764 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(F)cc2)c1 920943584 QRWDTZOHNSNWKG-UHFFFAOYSA-N 259.280 3.681 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCc2cccnc21 921814698 BREONLLAPARWNC-DZGCQCFKSA-N 287.407 3.503 30 20 CHED C#C[C@@](C)(CC)NC(=O)CCCCCc1cccs1 854698032 QLJNMOXGLAIVGZ-INIZCTEOSA-N 277.433 3.769 30 20 CHED C#CCCCC(=O)Nc1ccc(Cl)cc1SC 855235310 DVHCYLLRCGQTHD-UHFFFAOYSA-N 267.781 3.804 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1ccc(C#N)cc1 753413064 UVMZQYMQDRSGND-UHFFFAOYSA-N 259.349 3.674 30 20 CHED O=C(O)c1ccccc1NN=C[C@H]1CCc2ccccc21 755602201 UFAMFVLKOWVHIL-CYBMUJFWSA-N 280.327 3.513 30 20 CHED CCCCCCCOC(=O)C[C@@H](O)c1cccc(F)c1 756253685 DUSPGHFEHWBBRD-OAHLLOKOSA-N 282.355 3.763 30 20 CHED C#Cc1cccnc1N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 853478654 URGUOBLREMUVMY-SJORKVTESA-N 296.345 3.534 30 20 CHED CC(=NNc1cc(F)cc(Cl)c1)[C@]1(C)CCCO1 853395767 KBSQNVKYWREWCV-ZDUSSCGKSA-N 270.735 3.836 30 20 CHED C#CC1CCC(=NNc2ncc(Cl)cc2Cl)CC1 853271687 CPLHIOASRLRPQH-UHFFFAOYSA-N 282.174 3.980 30 20 CHED CC(=NOCCC(C)C)c1ccc(NC(=O)C2CC2)cc1 754276855 RWLNMWDHIZIROB-UHFFFAOYSA-N 288.391 3.822 30 20 CHED C#CC(=O)N(CCC(C)C)[C@@H](C)CCCC(C)C 754051260 JQNLCUIIJHKCHJ-HNNXBMFYSA-N 251.414 3.709 30 20 CHED COc1ccc2ccccc2c1C=NO[C@@H]1CCCCO1 755825559 XLYNAKBGDSQMRQ-QGZVFWFLSA-N 285.343 3.726 30 20 CHED CSC(C)(C)CC=NNc1ccc(Cl)cn1 853435634 RLAXIWFJMXXRJS-UHFFFAOYSA-N 257.790 3.664 30 20 CHED C#CC1CCC(=NNCc2cnc3ccccc3c2)CC1 853322090 LOMIQBTUJWCDSR-UHFFFAOYSA-N 277.371 3.504 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1ccoc1 755890106 PRNLUGGGLCSVBM-UHFFFAOYSA-N 266.247 3.717 30 20 CHED CC(C)(C)Oc1cccc(NC(=O)NCCCCC#N)c1 934045895 KQDKKOBRMQBUCA-UHFFFAOYSA-N 289.379 3.679 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@](C)(C#N)CC(C)C 931304420 SABYIHVRRQVDMB-QGZVFWFLSA-N 290.407 3.944 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1ccnn1C 766034009 PFMOQSUVDZQOOH-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C#CCC(C)(C)C(=O)N(CCc1ccccc1)CC(C)C 767067500 UCISXFSMCMKVOB-UHFFFAOYSA-N 285.431 3.763 30 20 CHED COc1ccsc1/C=C1/Cc2c(C)cccc2C1=O 764432328 LGUQQWPOYATNOV-LUAWRHEFSA-N 270.353 3.888 30 20 CHED C=CC[C@H]1N(C(=S)N[C@@H](C)CC)CCCC1(C)C 766525964 STXVESURBJEPAE-QWHCGFSZSA-N 268.470 3.726 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(C)cc2C)c1 767366372 FJFVGBHSPNRVDT-VOTSOKGWSA-N 251.329 3.903 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H]2CCC[C@H](C)C2)o1 768366216 ZQUXOQRAVDIKAV-NWDGAFQWSA-N 274.368 3.894 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)Cc1ccccc1CC#N 761106194 ODOQSFPDEJNSQY-HNNXBMFYSA-N 293.366 3.908 30 20 CHED C[C@H](C=NNc1ncnc2ccsc12)c1ccccc1 764841469 QVCDQDDCKSUEHM-LLVKDONJSA-N 282.372 3.893 30 20 CHED C#C[C@H](CC)OC(=O)c1sc(-c2cccs2)nc1C 768040938 MKXJKVWWQNALDN-SNVBAGLBSA-N 291.397 3.749 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc(N2CCCC2)cc1 764903469 UGHUXRNSDMNNOL-JKSUJKDBSA-N 272.436 3.977 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCC[C@H](C3CC3)C2)c1 768381461 HEUVXAKMIHGPDJ-LBPRGKRZSA-N 288.782 3.975 30 20 CHED CC#CCCCC(=O)Oc1cccc(C(F)(F)F)c1 767045403 CLMPCIRGAUARBH-UHFFFAOYSA-N 270.250 3.804 30 20 CHED Cc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cn1 764909825 XFUWVBVMBDRSGS-UHFFFAOYSA-N 294.276 3.960 30 20 CHED C#CCCCN1CCC[C@@H](COc2ccccc2Cl)C1 766933870 CFTGMOIDBQMUDP-OAHLLOKOSA-N 291.822 3.844 30 20 CHED O=C1C(=Cc2ccc(F)cc2Cl)C(=O)c2ccccc21 767716854 QTNJBXATVHRWLU-UHFFFAOYSA-N 286.689 3.942 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cc(C(=O)OC)co2)c1 766501837 JJMWICDLELMSPJ-CMDGGOBGSA-N 298.338 3.915 30 20 CHED CCSc1cccc(C=NO[C@@H]2CCCCO2)c1 769799182 JKMBZHPEIOTPOQ-CQSZACIVSA-N 265.378 3.676 30 20 CHED CC(C)c1ccc(C2(C(=O)NCC3(C#N)CC3)CCC2)cc1 1116888516 HSMNKMTYZNWPKJ-UHFFFAOYSA-N 296.414 3.652 30 20 CHED CC(C)(C#N)CCCCOC(=O)CC[C@@H]1CCCCO1 768696459 KCXLLDWWBDVDRG-AWEZNQCLSA-N 281.396 3.599 30 20 CHED C=C[C@@](C)(CC)c1nnc(COc2ccccc2OC)o1 1118423349 JBZMPPGWOZBWHR-INIZCTEOSA-N 288.347 3.511 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNC(=S)Nc1cccnc1 769566859 JBTLMNOOLXHEQT-RYUDHWBXSA-N 290.436 3.570 30 20 CHED C=CCCC1=NNC(=Nc2cccc(C)c2C)SC1 762432960 WBYUCMIQMSWOFK-UHFFFAOYSA-N 273.405 3.950 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@@H](O)C1 775525941 SEWUPCOXAHCITG-JKSUJKDBSA-N 283.456 3.747 30 20 CHED CCCCCC[C@@H](C)CC(=O)OCC1(C#N)CC1 775854794 GFKRLEFBALRPCZ-CYBMUJFWSA-N 251.370 3.830 30 20 CHED C[C@H](C(=O)OCc1cccc(C#N)c1F)C1CCCC1 774967354 MLRMTJVRAKQYDS-NSHDSACASA-N 275.323 3.567 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2cccc(CC#N)n2)C1 1116636266 IUUINAJRSVWTSD-IBGZPJMESA-N 291.398 3.706 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](CCC)c2ccccn2)c1 773746952 CJZNTXHGBPXBQH-INIZCTEOSA-N 278.355 3.585 30 20 CHED Cc1ccc(SCCNc2cccc(CC#N)n2)cc1 1116636540 PCFHFEYYCYBZBU-UHFFFAOYSA-N 283.400 3.660 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)c1c[nH]c(C#N)c1 779237314 TYFPSMCQRBBVDM-ABAIWWIYSA-N 280.327 3.600 30 20 CHED CCc1cnccc1C/N=C\c1cc(Cl)ccc1O 778516809 HZAPOGCZBPIZLS-ZDLGFXPLSA-N 274.751 3.622 30 20 CHED C[C@@H](OC(=O)c1coc(C2CCC2)n1)c1cccc(C#N)c1 774079270 VSZWXKQRVXASTL-LLVKDONJSA-N 296.326 3.732 30 20 CHED C=CCSCCN[C@@H](C)c1cccc(OCC)c1 772954814 OYGNBSKXHMTHKN-ZDUSSCGKSA-N 265.422 3.655 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)Cc2ccc(C)cc2)c1 778700159 KGIJVJZXPCXEAN-MRXNPFEDSA-N 291.394 3.818 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(Br)cnc1C 880216357 WWRCGXRSKBBDOV-UHFFFAOYSA-N 297.196 3.693 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(C)s1 777906439 VPMYXAJGBCMHBF-UHFFFAOYSA-N 265.769 3.941 30 20 CHED C[C@H](C#N)COC(=O)c1ccc(-c2ccccc2Cl)o1 770734051 QNYXLINBAIMCHW-SNVBAGLBSA-N 289.718 3.916 30 20 CHED C=C/C=C/CCNC(=O)N(CC=C)Cc1cccs1 883825134 GMPOOQKHJAFXJX-AATRIKPKSA-N 276.405 3.578 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC[C@@H]1CCCC[C@H]1C 1126126662 MCVCWSYOMVUZOI-CJNGLKHVSA-N 284.403 3.813 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N2CCC(CC#N)CC2)cc1C 782058373 TYDCJCSWGZIRCX-PLNGDYQASA-N 296.414 3.777 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1ccc(C#N)s1 887960825 SSPVQOKJTHRQDS-UHFFFAOYSA-N 284.384 3.509 30 20 CHED CC1(C)Cc2cc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)ccc2O1 1129731184 QZNYTXAQFSHMOB-SWLSCSKDSA-N 299.370 3.639 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cncs2)c(Cl)c1 788359639 QEFHEGVATQMQCG-RQOWECAXSA-N 274.732 3.564 30 20 CHED COc1cccc(N[C@H](C#N)C2CCCCC2)c1OC 887315208 OBQYMNKTZJPJAK-CQSZACIVSA-N 274.364 3.588 30 20 CHED C=CCN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 785967667 DGTVXZJPLHCELE-UHFFFAOYSA-N 293.410 3.823 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(C(C)C)nc2ccccc12 781146786 JHFZMWRZDNIIAJ-GFCCVEGCSA-N 282.343 3.817 30 20 CHED C=C[C@H](CC)CC(=O)O[C@@H](c1ncccn1)C1CCCC1 1122798615 SKYSJUKNDWZIEX-CZUORRHYSA-N 288.391 3.853 30 20 CHED O=C1/C(=C\c2ccccc2Cl)Cc2cc(O)ccc21 780186956 RKPGDUTZUNYLAU-GHXNOFRVSA-N 270.715 3.868 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 880292819 WQGMRGNXKBVNTC-LBPRGKRZSA-N 289.375 3.504 30 20 CHED CCC(=NNc1ncc(F)cn1)c1cccc2ccccc12 780237042 RMLACFVFJPKAQG-UHFFFAOYSA-N 294.333 3.995 30 20 CHED Cc1cccc([C@@H](C)OC(=O)c2ccccc2CC#N)c1 782604554 KYWFGZOOWWXHPS-CQSZACIVSA-N 279.339 3.979 30 20 CHED CCOCCC=NNc1ccc(C(F)(F)F)cc1 788437043 LGJVNPNXRZYCAP-UHFFFAOYSA-N 260.259 3.530 30 20 CHED Clc1cncnc1NN=C1CC[C@H]2CCCC[C@H]2C1 780282861 JMYQYZBZJKFCKA-MNOVXSKESA-N 278.787 3.888 30 20 CHED C=CCC1(O)CCN(C(=O)C(CC(C)C)CC(C)C)CC1 899592571 QKLKFGMEEZEZCZ-UHFFFAOYSA-N 295.467 3.624 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 891851869 JFVUZIITHMXMSH-SFHVURJKSA-N 294.398 3.798 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1nccnc1C 783520295 BVAMEPIVYDMJLY-UHFFFAOYSA-N 268.364 3.546 30 20 CHED COc1ccc(CCNN=C2CC[C@@H](C)C[C@H]2C)cc1 783845133 GUOLLITUNWZWED-ZIAGYGMSSA-N 274.408 3.639 30 20 CHED C#CCC1(C(=O)Nc2cccc(Cl)n2)CCCCC1 788449117 GBKKHJATTYKTOS-UHFFFAOYSA-N 276.767 3.647 30 20 CHED Cc1cnc(CSCc2ccc(CC#N)cc2)s1 783903017 FUNCRMOJLYYRID-UHFFFAOYSA-N 274.414 3.951 30 20 CHED N#Cc1ccnc(COc2cc(Cl)ccc2Cl)c1 1472910878 PMFMFIVQNKXSBR-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C=CCC(C)(C)c1nc([C@H]2CC2(Cl)Cl)no1 896809649 JAAFOJQJDGZXFI-SSDOTTSWSA-N 261.152 3.585 30 20 CHED CCC(Cc1cccs1)=NNc1ncncc1Cl 780281872 WUZSCDZFKSINOZ-UHFFFAOYSA-N 280.784 3.612 30 20 CHED CC[C@H]1c2ccccc2CN1c1nccc(C)c1C#N 897354875 WNLDQKDHSPCONM-INIZCTEOSA-N 263.344 3.733 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@]1(N(C)C)CCSC1 793535995 USPLBALXRKWJEO-CVEARBPZSA-N 284.513 3.538 30 20 CHED CC(C)CCC[C@H](C)NC(=O)Nc1cccc(C#N)c1 514102822 VXOMCZZUGANUMO-ZDUSSCGKSA-N 273.380 3.895 30 20 CHED C[C@@H]1CSC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1O 794676268 KUSSKBMVKLJZGY-PLEGFUGSSA-N 290.215 3.869 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccsc1 797291508 GVTPFMZJTFOGBP-XQRVVYSFSA-N 258.342 3.961 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1ccccc1 794926016 HIUZCMBGZSVWAO-VURMDHGXSA-N 260.239 3.567 30 20 CHED Cc1cc(C=NNc2cccc(Cl)n2)cnc1Cl 793161897 MWFVCJJTQHDDAV-UHFFFAOYSA-N 281.146 3.538 30 20 CHED Oc1cccc(/C=N\C[C@H]2CCCCC(F)(F)C2)c1O 793656440 SVQXNOXUOWYMJK-TZQXVGBESA-N 283.318 3.732 30 20 CHED Oc1ccccc1/C=N\CCCc1ccccc1F 794847945 KSHJLKKSHVLTER-PDGQHHTCSA-N 257.308 3.583 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1OC(F)(F)F 799739176 RLJPEPUAHGZYMQ-GXSJLCMTSA-N 295.264 3.561 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccnc(F)c2)c1C 794720808 ICARTQHWNYPNLP-VOTSOKGWSA-N 255.292 3.734 30 20 CHED CCO[C@H]1CCCC1=NNc1ncnc(Cl)c1C(C)C 797403371 KFQMUQFICXCEMF-NSHDSACASA-N 296.802 3.610 30 20 CHED FC(F)C1CCC(=NNc2ncnc3ccsc23)CC1 799483047 JPOQNPLUDTUHIT-UHFFFAOYSA-N 296.346 3.915 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCCCCC(C)C 798040600 SNYIRGFPEPLFEJ-NVXWUHKLSA-N 281.440 3.690 30 20 CHED C#CCCCCC(=O)N1CCCC(CC)(CC)CC1 190974955 CAJGAVUKVZKSIM-UHFFFAOYSA-N 263.425 3.999 30 20 CHED C=C(Cl)COC(=O)Cc1coc2c(C)c(C)ccc12 794245119 VRQJXOITXJAEEC-UHFFFAOYSA-N 278.735 3.888 30 20 CHED CCCCN(C)c1ccc(NC(=O)[C@](C)(C#N)CC)cc1 796255995 QETZHZIKCZNUNX-KRWDZBQOSA-N 287.407 3.801 30 20 CHED CCCCOc1ccc(C=NN[C@H](C)CC)cc1OC 790184116 QZHABSRQUSUEQY-CYBMUJFWSA-N 278.396 3.596 30 20 CHED C#CCCCCC(=O)OCc1ccc(OCC2CC2)cc1 791991652 TUPQVXRDBVHYGH-UHFFFAOYSA-N 286.371 3.712 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H](C)CC(C)C)n1 799109936 OSONPUIBPNBDRW-VIFPVBQESA-N 254.765 3.518 30 20 CHED CC1(C)C(Nc2nc(C(F)(F)F)ccc2C#N)C1(C)C 94335495 RFZCSDBKEKOIEQ-UHFFFAOYSA-N 283.297 3.819 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1Cl)[C@H]1CC1(C)C 1163529980 DWFKOSGVRJWEQU-ZYHUDNBSSA-N 263.772 3.843 30 20 CHED Cc1csc(NC(=O)NC[C@@H](C)C(C)(C)C)c1C#N 1310700534 ACLAPHOODZLBKU-SNVBAGLBSA-N 279.409 3.732 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)c1ccc(F)cc1F 1321631176 QDJCSRWAOKCASG-PWSUYJOCSA-N 267.319 3.539 30 20 CHED C=CCCOC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1328603774 DJRGUMRVJZGOJK-UHFFFAOYSA-N 299.248 3.799 30 20 CHED CC[C@H](CC(F)(F)F)NC1CC(C#N)(c2ccccc2)C1 1326033258 WNBWZZZCGQZSOD-WLYUNCDWSA-N 296.336 3.931 30 20 CHED Cc1ccc(C)c2c1OCCC2=NOCCC(F)(F)F 1320446355 SSNIQKHRUMKEOY-UHFFFAOYSA-N 287.281 3.759 30 20 CHED CCS[C@@H]1CCCC[C@H]1Nc1cccc(CC#N)n1 1325710611 UKIGJEZXCBSFSY-ZIAGYGMSSA-N 275.421 3.624 30 20 CHED Cc1cc(O)cc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 1170122765 VBZDKQNQZXBOPK-OAHLLOKOSA-N 294.354 3.727 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 1320139224 BGZDFECDNLEDBK-UHFFFAOYSA-N 294.398 3.777 30 20 CHED CC(C)[C@]1(C)C[C@@H]1c1nnc(-c2ccc(C#N)cc2)o1 1326987486 NHRBQSFZVRHJBA-CJNGLKHVSA-N 267.332 3.758 30 20 CHED Cc1ccc(C)c(-c2nnc(-c3cccc(C#N)c3)o2)c1 1322412052 QAJDEDIOMPFGIS-UHFFFAOYSA-N 275.311 3.892 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)C1(c2cccc(C#N)c2)CC1 1327030482 BMOOKHHRZCIPKI-HNNXBMFYSA-N 283.371 3.712 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H](Cc2ccccc2)C1 1335789201 KYCCFCRBEOEFPN-KRWDZBQOSA-N 271.404 3.824 30 20 CHED CCc1ccc(N[C@@H](C)c2ccc(C#N)cc2)nc1 1337774732 QQLLFTBOBUEWFP-LBPRGKRZSA-N 251.333 3.689 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CCc2ccccc2C1 1180742731 ZJOYXDIKQZPVKU-KRWDZBQOSA-N 292.382 3.926 30 20 CHED CCCCCCCCCOC(=O)c1cncnc1C 1251205404 GXCVGDVJIBQZCB-UHFFFAOYSA-N 264.369 3.692 30 20 CHED N#Cc1nc(N2CCc3ccc(F)cc32)sc1Cl 1186325147 BSNFYHLOXIHIHB-UHFFFAOYSA-N 279.727 3.501 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1nsc2ccccc12 1336237408 BPAPLSIPAFDERY-LBPRGKRZSA-N 286.400 3.867 30 20 CHED C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1185021943 NVFNNHLTUWGNON-CYBMUJFWSA-N 279.343 3.635 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCCC(F)(F)F 1337679601 MSRILGYDNNSEHI-NSHDSACASA-N 263.303 3.676 30 20 CHED Cc1ccc([C@@H]2CCCCN2Cc2cc(C#N)ccn2)cc1 1191194830 UTMIQEZEZYOHJD-IBGZPJMESA-N 291.398 3.989 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2csc(C#N)c2)C1 1347827717 XABWJOUSKTVRTP-OAHLLOKOSA-N 276.405 3.662 30 20 CHED C=CCC(C)(C)C(=O)OCc1csc(C(F)(F)F)n1 1348088297 YQBBYJSIRMABBZ-UHFFFAOYSA-N 293.310 3.807 30 20 CHED Cc1oc(C(C)C)cc1C(=O)[C@@H](C#N)c1cccc(F)n1 1263382899 JGVMLCDOQNKMFU-LBPRGKRZSA-N 286.306 3.736 30 20 CHED N#C[C@H](C(=O)/C=C\Sc1ccccc1)c1cccc(F)n1 1263378330 BZLBJOUZBSIORK-XPSMFNQNSA-N 298.342 3.703 30 20 CHED CCC1(c2nnc(COc3ccccc3C#N)o2)CCCC1 1341309683 GLJMHPJEWWLBMD-UHFFFAOYSA-N 297.358 3.742 30 20 CHED Cc1c(C#N)cccc1C(=O)Oc1ccc2ccncc2c1 1341818120 PFOZXLRGPHWHRB-UHFFFAOYSA-N 288.306 3.634 30 20 CHED CC[C@H](NC(=O)c1ccc(C)c(C#N)c1)C1CCCC1 1272443021 HVGMMGRMQNWBLY-INIZCTEOSA-N 270.376 3.565 30 20 CHED C=C(CC)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 1350036769 CSJAKHRBZYGZQX-UHFFFAOYSA-N 288.778 3.672 30 20 CHED Cc1ccc(F)c(CN(C)C(=O)c2cc(C#N)ccc2C)c1 1519805341 QARLVLJNTPWDKM-UHFFFAOYSA-N 296.345 3.586 30 20 CHED N#Cc1cc(F)ccc1N1CCC2(CCCC2)CC1 111036732 ICLFKSCTBMABNK-UHFFFAOYSA-N 258.340 3.858 30 20 CHED CC(C)CC[C@@H](C)NC(=O)[C@H](CC#N)c1ccccc1 1521717071 MBRIALVRHFOTIX-GDBMZVCRSA-N 272.392 3.625 30 20 CHED CC(C)C[C@@H](C)CC(=O)N1CCCc2cc(C#N)ccc21 1526759121 AGIYAJNPHAYZJX-CQSZACIVSA-N 284.403 3.910 30 20 CHED N#Cc1ccc(F)cc1Oc1ccc(C(=O)O)cc1Cl 1601105723 FXVPOFPXKBLTOD-UHFFFAOYSA-N 291.665 3.841 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)CCC(C)(C)C)n1 1460430019 WZSLBAVMGGBAAN-LLVKDONJSA-N 273.380 3.663 30 20 CHED C[C@H](c1nccc2ccccc12)N1CCC[C@H](C#N)C1 1474703821 DHYQXJOZVYAUHZ-ZIAGYGMSSA-N 265.360 3.531 30 20 CHED N#Cc1cccc(CNc2cc(Cl)cc(C(=O)O)c2)c1 1610631229 UABVQEAPOTWPLP-UHFFFAOYSA-N 286.718 3.522 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 227688448 FLZUPKDLMNOXFQ-PELKAZGASA-N 298.173 3.807 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N(CC)C[C@H](C)C#N 1543049613 PPUYBZHZOKZPFI-NVXWUHKLSA-N 286.419 3.572 30 20 CHED CC(C)CC[C@@H]1CCCN1CCOc1ccccc1C#N 1559646255 GPSBDKYLRJZYQZ-KRWDZBQOSA-N 286.419 3.838 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)c2cc(C)ccc2C)n1 1559155813 XPLRBRAZJKRIBL-CYBMUJFWSA-N 280.375 3.701 30 20 CHED CCN(Cc1ccc(OC)cc1)c1cccc(F)c1C#N 1559135433 KKLXMJKRADCHBO-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CCC[C@H](Nc1cc(C#N)nc(CC)n1)c1ccccc1 1649310686 PIBDECPBCXUEFH-HNNXBMFYSA-N 280.375 3.864 30 20 CHED CC(C)CCN(CCC#N)C(=O)O[C@@H](C)CC(C)C 1654058945 MLBFKUWEIUPMDT-AWEZNQCLSA-N 268.401 3.819 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1749271454 WFZUJTWTGVMAMP-WCQYABFASA-N 296.846 3.608 30 20 CHED CC1(C)COc2ccc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)cc21 1584703612 VLUMXLSZEHHAOM-GXTWGEPZSA-N 299.370 3.596 30 20 CHED CC1(CSc2ccc(C(=O)O)nc2C#N)CCCCC1 1594039138 KQBXORLZCLWBEJ-UHFFFAOYSA-N 290.388 3.714 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccccc1C#N 45796722 VFDIFCWKIQSHKQ-UHFFFAOYSA-N 262.356 3.746 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1sccc1C#N 1672812193 BLWSNBMOMFGJEH-ZYHUDNBSSA-N 277.393 3.568 30 20 CHED C=C(C)CNC(=S)Nc1ccc2c3c(cccc13)CC2 17518003 BVCIPGARKBUWJO-UHFFFAOYSA-N 282.412 3.801 30 20 CHED C[C@H](CC#N)NC(=O)Nc1cccc(CCC(F)(F)F)c1 162002201 KGTYKRDEFFYJSU-SNVBAGLBSA-N 299.296 3.605 30 20 CHED C=CCN(Cc1cccs1)Cc1c(CC)noc1C 162593419 UMWZXDBZMMMULR-UHFFFAOYSA-N 276.405 3.795 30 20 CHED N#Cc1cccc(SCc2noc(-c3cccs3)n2)c1 158657264 DWPFUBUXRDRZHJ-UHFFFAOYSA-N 299.380 3.962 30 20 CHED N#Cc1cccc(SCC(=O)c2ccc(F)c(F)c2)c1 158786311 DOJVMIRRHKXFRZ-UHFFFAOYSA-N 289.306 3.811 30 20 CHED CN(CCCOc1ccccc1)Cc1ccc(F)c(C#N)c1 160809758 QYTSYDHAYFQAKT-UHFFFAOYSA-N 298.361 3.598 30 20 CHED CCSCC[C@H](C)N(C)Cc1cc(F)ccc1C#N 160905132 AJUUYGWMDGSJAA-LBPRGKRZSA-N 280.412 3.661 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1cccc(C)c1 152066707 UYNUDNLSPSXBPF-CQSZACIVSA-N 262.349 3.582 30 20 CHED C#Cc1cccc(NC(=O)Nc2cccc(OCC)c2)c1 155321966 OVEBLEIIRXHQNF-UHFFFAOYSA-N 280.327 3.711 30 20 CHED C=CCCCN(C)C(=O)c1cc(C(CC)CC)no1 156767456 IDSZMNUZMNMVKA-UHFFFAOYSA-N 264.369 3.616 30 20 CHED C[C@H](Nc1ncnc2sccc12)c1ccc(C#N)cc1 37502100 BTWDGHJGNHTTCK-JTQLQIEISA-N 280.356 3.736 30 20 CHED CN(CC1CCCCC1)C(=O)Nc1ccc(C#N)cc1 45030847 WVLWCGGSIYGPPB-UHFFFAOYSA-N 271.364 3.602 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@H](C)C1 194584982 ITQSBLLYDUSHOR-FZMZJTMJSA-N 271.364 3.567 30 20 CHED C[C@H](CNc1snc(Cl)c1C#N)C(C)(C)C 309595943 WFAGMASUWXDZRV-SSDOTTSWSA-N 257.790 3.762 30 20 CHED C=CCC[C@@H](C)NC[C@]1(C)CCN(Cc2ccccc2)C1 309711680 JOUBCABGEWKIKP-MJGOQNOKSA-N 286.463 3.843 30 20 CHED CCc1cc(C(=O)Nc2ccc(F)cc2C#N)sc1C 433981955 ULCSZJHOWWOZPN-UHFFFAOYSA-N 288.347 3.882 30 20 CHED CCC[C@@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 438543373 ZJORBJXNYBFVOH-CQSZACIVSA-N 272.392 3.579 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)[C@@H]2CCC[C@H]21 378824232 GSADQFCXEPTATI-GDBMZVCRSA-N 272.367 3.708 30 20 CHED N#Cc1cc(Br)ccc1N[C@@H]1CCC[C@@H]1F 378818371 LKKNYWUIZXLNNY-CMPLNLGQSA-N 283.144 3.623 30 20 CHED CCN(CC)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 7653681 ZIJXBAKONVVJQN-UHFFFAOYSA-N 293.370 3.657 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)Cn1cccn1 59487432 KZGBKECRBMZAAZ-HUUCEWRRSA-N 251.418 3.610 30 20 CHED C=CCNC(=S)N[C@H](c1ccc(Cl)cc1)C(C)C 10949694 GSGRHGPJRATKTK-ZDUSSCGKSA-N 282.840 3.687 30 20 CHED C=C(C)CN(CC)C(=O)c1nc(-c2ccccc2)oc1C 55206477 SAPHABPHUJYBAS-UHFFFAOYSA-N 284.359 3.688 30 20 CHED N#CCCCOC(=O)c1ccc(COc2ccccc2)cc1 104775029 XDYHHHSYEISFTN-UHFFFAOYSA-N 295.338 3.726 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)NCCCCC#N 178642166 PQPFKKIKPYFLNW-LLVKDONJSA-N 265.426 3.919 30 20 CHED N#Cc1cc(NCc2ccc3ncccc3c2)ccc1F 51636835 XQBGUILPRQKCFH-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C#CCCCCC(=O)Nc1ccc(Br)cc1C 179637719 PMLGFJJXYJZAEV-UHFFFAOYSA-N 294.192 3.890 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(C#N)cc1 176906296 ZRCRNZOHRNLUKG-IRXDYDNUSA-N 284.403 3.528 30 20 CHED Cn1nccc1/C=C/C(=O)c1cccc(Cl)c1Cl 116609398 NVNKPNWJSOECET-AATRIKPKSA-N 281.142 3.623 30 20 CHED C[C@@H]1CCCCN1C[C@@H]1CCCN(CCC(C)(C)C#N)C1 119656533 POTQSKYZACELRR-IAGOWNOFSA-N 291.483 3.513 30 20 CHED C[C@@H](SC[C@@H]1CCCCO1)c1ccc(C#N)cc1 118443848 GJPKBUWDQISEOF-DOMZBBRYSA-N 261.390 3.922 30 20 CHED CC(C)(C)[C@H](CC1CCCCC1)NC(=O)CSCC#N 115288574 RPOOCHGLMCZDTI-AWEZNQCLSA-N 296.480 3.744 30 20 CHED CC[C@H](C/N=C(/N)Nc1ccc(C)cc1)c1ccccc1 303782216 MXHFBVLAPPMAHB-OAHLLOKOSA-N 281.403 3.915 30 20 CHED C#CCCCOC(=O)c1cccc(-c2csc(C)n2)c1 174052792 TZCUOJGNDHBGIA-UHFFFAOYSA-N 285.368 3.689 30 20 CHED C=C(Br)COc1cc(C)ccc1Cl 307738235 WISNJOMJACYXDA-UHFFFAOYSA-N 261.546 3.936 30 20 CHED N#Cc1ccc(N2CC[C@@H](Oc3ccccc3Cl)C2)cc1 301770435 KFEKHWWZHMIDOO-OAHLLOKOSA-N 298.773 3.869 30 20 CHED N#CCCCOC(=O)CCc1ccc2ccccc2c1 62477750 JNHJWBBPUUIMBE-UHFFFAOYSA-N 267.328 3.619 30 20 CHED CCC(=O)Nc1ccc(Nc2c(C#N)cccc2C#N)cc1 302866256 YOTXVFMJESMCQI-UHFFFAOYSA-N 290.326 3.522 30 20 CHED C[C@H](SCCOCC(F)(F)F)c1ccc(C#N)cc1 173829240 JPLASTKOZGGOKH-JTQLQIEISA-N 289.322 3.931 30 20 CHED CCCC1(CNC(=O)c2cc(C#N)ccc2C)CCC1 1266132396 UGJXNWIRCWNIRE-UHFFFAOYSA-N 270.376 3.567 30 20 CHED CN(Cc1ccco1)c1cc(C#N)ccc1C(F)(F)F 302242865 PJXJSLPJQWKNRL-UHFFFAOYSA-N 280.249 3.806 30 20 CHED N#Cc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1 61559174 NZWRPMOZXSWRKJ-UHFFFAOYSA-N 282.387 3.745 30 20 CHED CC(C)(CCC#N)CN1CCCN(Cc2ccccc2)CC1 127335135 ZGNKDOMGCHKXRA-UHFFFAOYSA-N 299.462 3.524 30 20 CHED COCC1(CNCC(C)(C)CCC#N)CCCCC1 353098801 VVTFYDRGJWBWBY-UHFFFAOYSA-N 266.429 3.503 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]1c1ccc(F)cc1 302866324 VGGDYBWDNQYDOF-JKSUJKDBSA-N 277.302 3.537 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1Cl 303680492 RQHVOGFNBRWELM-ZBEGNZNMSA-N 290.794 3.851 30 20 CHED COc1cccc(C(C)(C)CNCC(C)(C)CCC#N)c1 121447712 LSOWBXPZISYGHR-UHFFFAOYSA-N 288.435 3.892 30 20 CHED C=CCOc1ccc(COC(=O)Cc2cccs2)cc1 186198807 VXKANYVRJWOCSB-UHFFFAOYSA-N 288.368 3.599 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCF 124696331 JLWOFYZETQWACV-NSHDSACASA-N 295.383 3.562 30 20 CHED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CCC#N 123229544 YUCSIDUWTRFJFN-SECBINFHSA-N 257.164 3.900 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CC)c1ccc(OC)cc1 78319342 YRAKNUIFUIDGTQ-MRXNPFEDSA-N 290.407 3.754 30 20 CHED C=CCn1c(C)nnc1SCc1csc(C(C)C)n1 75875195 COMHNVSFALGGFF-UHFFFAOYSA-N 294.449 3.645 30 20 CHED C=CCOc1ccc([N+](=O)[O-])cc1Cc1ccccc1 71858312 HGRAFYKOQABVEY-UHFFFAOYSA-N 269.300 3.750 30 20 CHED N#CC1(COC(=O)Cc2c[nH]c3ccccc23)CCCCC1 183680763 UBJFRKFTDGBEFN-UHFFFAOYSA-N 296.370 3.728 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 412815466 PPKVPABJHMONKA-SJKOYZFVSA-N 289.375 3.504 30 20 CHED N#Cc1ccc(SCc2nc(-c3ccsc3)no2)cc1 79647862 QARGWNHOPGOXKF-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C=C(Br)CN[C@H](CC)c1ccc(OC)cc1 125075813 PPWFYZRJOJUGLM-CYBMUJFWSA-N 284.197 3.645 30 20 CHED CC(C)(C)C(C)(C)C(=O)N[C@@H](C#N)c1ccccc1F 410646328 ZCGRWROGRANOKI-ZDUSSCGKSA-N 276.355 3.579 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1CC#N 410826189 HPICVYUUYZDFJL-GXTWGEPZSA-N 256.349 3.517 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 125842245 NGQDGXZWJOLXLV-KCQAQPDRSA-N 290.382 3.678 30 20 CHED C[C@@H]1CC(Nc2cc(C#N)ccc2C(F)(F)F)C[C@@H](C)O1 128828798 RQAGKMNXPLTKPO-NXEZZACHSA-N 298.308 3.945 30 20 CHED CC[C@@H](C#N)NC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 121407074 CEDWCJUKGKKGPR-JYJNAYRXSA-N 294.439 3.560 30 20 CHED CCN(Cc1ccc(C#N)c(C)c1)Cc1cccs1 486798383 BTIDZUFWCZKBLM-UHFFFAOYSA-N 270.401 3.950 30 20 CHED Cc1c(C(=O)OCC(C)(C)CC#N)oc2ccccc12 184756841 BVCDOKXVTWXVMC-UHFFFAOYSA-N 271.316 3.838 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@H](CC)c1ccccc1 410829801 SJVSLJIMKSNJJA-HOCLYGCPSA-N 272.392 3.721 30 20 CHED CCc1ccsc1C(=O)N[C@@H](C)c1cccc(C#N)c1 75272109 WINHICZZNUNLFV-NSHDSACASA-N 284.384 3.673 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]1c1ccccc1F)CC2 414160151 CQACDOGPFRNEHJ-QXAKKESOSA-N 292.357 3.830 30 20 CHED C=CCOCCSCc1ccc(C(F)(F)F)cn1 419488466 BXXULEDDVQUIHI-UHFFFAOYSA-N 277.311 3.536 30 20 CHED C[C@H]1CC[C@H](CC(=O)N2CCCc3cc(C#N)ccc32)C1 411003927 VLIXGXIVGBNWFT-KBPBESRZSA-N 282.387 3.664 30 20 CHED C#CC[C@@H](OC(=O)c1oc(-c2ccccc2)nc1C)C1CC1 181785930 KFXMMKXCUZTAJM-OAHLLOKOSA-N 295.338 3.609 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1nnc(C)o1)c1ccc(F)c(F)c1 187787842 IIGAQEHZSHOEQP-YMTOWFKASA-N 293.317 3.624 30 20 CHED C[C@@H]1CCc2c(C(=O)[C@H](C#N)c3ccccn3)csc2C1 72590940 DNDKCPUJRVPEPP-DGCLKSJQSA-N 296.395 3.758 30 20 CHED C=CCCSCCOc1ccccc1C(C)=O 172670949 NJWJTUNUGQBSFW-UHFFFAOYSA-N 250.363 3.577 30 20 CHED CCC[C@@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)C(C)C 184013912 OFWQPKTXXBIXDL-MJGOQNOKSA-N 298.430 3.626 30 20 CHED C[C@@H](NC[C@H]1OCCc2ccccc21)c1ccc(C#N)cc1 315570984 KGRMHORKODSEPS-AUUYWEPGSA-N 292.382 3.523 30 20 CHED Cc1cc(OCc2nc(C(C)(C)C)no2)c(C)c(C)c1C#N 506421187 IOHQOCFXZRIHRT-UHFFFAOYSA-N 299.374 3.743 30 20 CHED Cc1ccc(-c2cc(CSCCC#N)on2)cc1 413009491 CQIMIOPRMAPYEQ-UHFFFAOYSA-N 258.346 3.797 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](CC)C1 508810945 FOQBHFMMHIAQTB-KBPBESRZSA-N 276.428 3.604 30 20 CHED N#CC1(COC(=O)CCSc2ccc(F)cc2)CCC1 183896665 LSGBKZCGXRIGOP-UHFFFAOYSA-N 293.363 3.545 30 20 CHED N#CCCN(C(=O)c1ccc(F)cc1)c1ccc(F)cc1 72678540 CLLBMHSTCKLDII-UHFFFAOYSA-N 286.281 3.525 30 20 CHED CCSCC[C@@H](C)Nc1nc(C)c(C#N)cc1Cl 336789912 KDMBFWWVQVXMSU-SECBINFHSA-N 283.828 3.859 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 187515881 FQOLCNZSGRKJTC-RBSFLKMASA-N 276.424 3.744 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CC1CC(c2ccccc2)C1 410835409 NRMCJTKQEDYPTA-BDVYOWHSSA-N 284.403 3.721 30 20 CHED CCC[C@@H](C)NC(=O)N(CCC)Cc1ccc(C#N)cc1 43001400 AIODXHARMPHQLM-CQSZACIVSA-N 287.407 3.668 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)NCC(C)(C)C#N)CC2 502682216 UIULZUGEWQTIBT-MRXNPFEDSA-N 299.418 3.646 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2[C@H]3C=CC[C@H]2CC3)n1 613427798 OIKYWYQMHXYOQC-KBPBESRZSA-N 267.376 3.548 30 20 CHED O/C(=N/[C@@H]1CCOc2ccccc21)[C@H]1CCc2cccnc21 329340036 ZHJJFDAEKRLYRY-LSDHHAIUSA-N 294.354 3.592 30 20 CHED C[C@@H](Nc1ncc2c(c1C#N)CCC2)c1cccc(F)c1F 425242797 DCMUAHQQVUDMAC-SNVBAGLBSA-N 299.324 3.893 30 20 CHED N#CC1(C(=O)Nc2ccc3scnc3c2)CCCCC1 195382689 GYVOODIBXOXKAB-UHFFFAOYSA-N 285.372 3.709 30 20 CHED C#CCCCC(=O)Nc1cccc(N2CCC(C)CC2)c1 192132826 SENNEMHGDLUWDW-UHFFFAOYSA-N 284.403 3.665 30 20 CHED CSc1cncc(N[C@@H](CCC#N)c2ccccc2)n1 132851213 DKZCBFXTRHQYQI-ZDUSSCGKSA-N 284.388 3.655 30 20 CHED CN(CCC#N)c1ccc(-c2nc3ccccc3n2C)cc1 48878474 OZRVZRMMBYLIID-UHFFFAOYSA-N 290.370 3.590 30 20 CHED C=C(Br)CNc1ncnc2sc(C)c(C)c12 136270409 WUTAEGJJYOZSMY-UHFFFAOYSA-N 298.209 3.629 30 20 CHED C[C@@H](SCc1ncc(Cl)n1C)c1ccc(C#N)cc1 83633696 BLTGGHRYQHRWBN-SNVBAGLBSA-N 291.807 3.940 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)NC1(C#N)CCCCC1 424635456 ZRLCLMCZJXUJEN-MRXNPFEDSA-N 298.430 3.906 30 20 CHED COc1ccccc1[C@H](C)[S@](=O)Cc1cccc(C#N)c1 80150185 IDLFOUIIAOXKPG-ZSEKCTLFSA-N 299.395 3.577 30 20 CHED CCCN(CC#N)C(=O)c1sc2cc(F)ccc2c1C 512395873 CVLCPJDEFQDQHA-UHFFFAOYSA-N 290.363 3.725 30 20 CHED C=CCCN[C@H](c1ccc(C)cc1)c1ccccn1 338542879 SBSCXEGHAPSEFL-QGZVFWFLSA-N 252.361 3.645 30 20 CHED C=CCCCC(=O)N(C)C/C(C)=C\c1ccccc1 427224999 NFMXDLBNAOMKNS-SQFISAMPSA-N 257.377 3.905 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1sccc1O 193147348 CIWXWKQVZAMWCT-SNAWJCMRSA-N 266.268 3.628 30 20 CHED CC[C@H](C)N(C)Cc1cc(C#N)ccc1Br 191811196 KNROTGUQFXYAPR-JTQLQIEISA-N 281.197 3.551 30 20 CHED COc1cc(C(C)=O)ccc1OCCCCC(C)(C)C#N 234822279 WLSVHRXTLPETLW-UHFFFAOYSA-N 289.375 3.997 30 20 CHED CO[C@@]1(C)CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 230264749 UYZXCIBWTYKNTM-AWEZNQCLSA-N 298.308 3.582 30 20 CHED CCC[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccn1 339237373 UAYIZDWCHNLGQM-INIZCTEOSA-N 293.370 3.670 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(F)cc2C#N)C1 331216137 OXJGOJGTZGXIMT-NWDGAFQWSA-N 274.339 3.852 30 20 CHED Cc1ccccc1CC(C)(C)NCc1ccc(C#N)cc1 237718227 FAYGEWIAXYUFNV-UHFFFAOYSA-N 278.399 3.978 30 20 CHED CC(C)[C@H](Nc1ccc(C#N)nc1)c1ccc(F)cc1 336918615 PEUMVPBTANKLLH-INIZCTEOSA-N 269.323 3.902 30 20 CHED CCC(CC)CN(CCC#N)CC(C)(C)CCC#N 93101070 SGDUETZVPFKMFJ-UHFFFAOYSA-N 263.429 3.968 30 20 CHED COc1cc(C)ccc1[C@@H](C)NCc1ccc(C#N)s1 517552309 IRMOWVKWIONEBH-GFCCVEGCSA-N 286.400 3.788 30 20 CHED N#Cc1ccncc1N[C@H]1CCc2c(Cl)cccc21 94149874 IKIWVKLFNUKFDG-AWEZNQCLSA-N 269.735 3.706 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(c3c(F)cccc3F)CC2)C1 336527892 IGGWEQGXZNKNIH-TZMCWYRMSA-N 290.357 3.836 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)o2)[C@@H]1c1cccc(F)c1 335558322 FACOFHAPDCBKSY-BZNIZROVSA-N 298.317 3.514 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(SCC)c1 435726448 PPXYBMMKPSLHSX-DOTOQJQBSA-N 291.460 3.869 30 20 CHED CC(C)CCCNC(=O)Nc1cc(C#N)cn1C(C)(C)C 337732647 GLEXWQUXAFGKPC-UHFFFAOYSA-N 290.411 3.672 30 20 CHED CC(C)(C)N(Cc1ccc(F)cc1)Cc1ccc(C#N)cn1 521267063 LEKOLIFXKLSDPR-UHFFFAOYSA-N 297.377 3.893 30 20 CHED Cc1nccn1CCCSCc1ccc(F)cc1C#N 344473513 WNHAMLQQEWUKEX-UHFFFAOYSA-N 289.379 3.526 30 20 CHED C[C@H](N[C@@H]1CCCc2ncccc21)c1ccc(C#N)cc1 601264855 ILAOKXGJUOHHTF-SCLBCKFNSA-N 277.371 3.681 30 20 CHED CC1(C)CCCN(C(=O)c2ccc3ccccc3c2)[C@H]1C#N 434016612 NMOATKLGTVWGBE-KRWDZBQOSA-N 292.382 3.994 30 20 CHED CC(F)(F)c1ccc(CNc2ncccc2C#N)cc1 432131035 VKQHJIZMBONRHK-UHFFFAOYSA-N 273.286 3.677 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2ccccc2CC#N)c(C)s1 600993612 JCKYMQAVVBHUAT-GFCCVEGCSA-N 298.411 3.922 30 20 CHED N#Cc1cc(NCc2cccc3cc[nH]c23)ccc1[N+](=O)[O-] 341472598 WANLIPBWOSGVQT-UHFFFAOYSA-N 292.298 3.560 30 20 CHED Cc1nc2ccc(N[C@H](C)CC3(C#N)CCOCC3)cc2o1 602578685 ZWVCLNDKGWRVBU-GFCCVEGCSA-N 299.374 3.647 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(Cl)cc1Cl 538193327 BPSTXFRFZUFOKC-QWRGUYRKSA-N 288.218 3.829 30 20 CHED N#CCCC[S@@](=O)Cc1cc(Cl)cc(Cl)c1F 600934555 XKPWQYXKWQZGDY-QGZVFWFLSA-N 294.178 3.685 30 20 CHED C=CCCC1(c2nc([C@H]3CCC(F)(F)C3)no2)CC1 347266130 PKGUBMBGEZRSDS-JTQLQIEISA-N 268.307 3.970 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](CC)C2)cc1 607077827 SAZFILQJINYFLQ-GDBMZVCRSA-N 287.403 3.950 30 20 CHED Cc1cc(CSCc2noc(C3CCC3)n2)ccc1C#N 600651200 WSENQZXQABOHRA-UHFFFAOYSA-N 299.399 3.951 30 20 CHED CCCC[C@@H](CC)CC(=O)N[C@@H](C#N)CC(C)C 609762158 CSMLFFFTHQNEMS-ZIAGYGMSSA-N 252.402 3.647 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 604880143 WUJQMPOJBNISIO-QWHCGFSZSA-N 296.414 3.987 30 20 CHED CC(C)(CNc1ccc(C#N)cc1F)Oc1ccccc1 523707005 JHKGTYUMZHSMQZ-UHFFFAOYSA-N 284.334 3.967 30 20 CHED C[C@@H](CCC#N)CNC1(c2ccc(F)cc2F)CCC1 602577712 JOMQHCNMQMWUPJ-LBPRGKRZSA-N 278.346 3.873 30 20 CHED C=CCn1c(S[C@H](C#N)C2CC2)nc2ccccc21 601071447 YTLSRBNBNQTIDL-CQSZACIVSA-N 269.373 3.617 30 20 CHED O=C(/C=C\c1cccc2c1OCO2)c1cc(F)cc(F)c1 255832285 SFOQYGUPHNOSSX-PLNGDYQASA-N 288.249 3.590 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)c2)CC12CCC2 357007591 DRGFHSGWBOITTG-CQSZACIVSA-N 254.377 3.570 30 20 CHED Cc1ccc([C@@H](CNC2CCC(C)(C#N)CC2)N(C)C)cc1 449108051 SBDGZVRXPKRZJI-JLAWEPINSA-N 299.462 3.660 30 20 CHED FC(F)(F)Oc1ccc(C#CCN2C3CCC2CC3)cc1 532995063 POCFSUOSVUXPQM-UHFFFAOYSA-N 295.304 3.564 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCc3cc(F)c(F)c(F)c32)C1 449584349 JOJBYBPMLJITRQ-CDMKHQONSA-N 294.320 3.763 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H](CC)CCCC 359396502 WWVONXATEAOGEB-AWEZNQCLSA-N 250.386 3.521 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccccc2OCC(F)(F)F)C1 442869095 AMDMYVOADFUSPG-QWRGUYRKSA-N 284.281 3.732 30 20 CHED C=CC(C)(C)CNC(=O)c1cccc(C)c1Br 385043040 OMWOTIDXEUJLGL-UHFFFAOYSA-N 296.208 3.700 30 20 CHED CC(C)(C#N)c1nc(-c2cccc3ccccc23)no1 531117381 DNLPJGIJBVFQOU-UHFFFAOYSA-N 263.300 3.691 30 20 CHED C=CCN(C(=O)N[C@H]1CC(C)(C)c2ccccc21)C1CC1 539040271 VLRBZLWAMWWENL-INIZCTEOSA-N 284.403 3.769 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1 619189626 DXULQSWCCCMHQY-IAGOWNOFSA-N 291.435 3.563 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ncoc2-c2ccccc2)C1 617784650 WJCLJPYZVDPCRU-AWEZNQCLSA-N 296.370 3.770 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC[C@@H]2CCc3ccccc32)C1 449379575 TXYUFBRBQUMOSE-HYVNUMGLSA-N 268.404 3.778 30 20 CHED Cc1ccc(C)c(C=NNc2nncc3ccccc23)c1 263626342 JLCWILAJMMMTFF-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(C(=O)CC)c1 454996182 WIZHIHUNRVQSNO-UHFFFAOYSA-N 274.364 3.613 30 20 CHED Cn1cc(CN2CCC[C@H](C(C)(C)C)CC2)cc1C#N 361558207 VJYANTDQIVXQSG-HNNXBMFYSA-N 273.424 3.545 30 20 CHED C=CCCC(=O)COc1cc(C)ccc1Br 451071803 MNLCVEZTOKKOIY-UHFFFAOYSA-N 283.165 3.672 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1nnc(C2CC2)s1 610431117 ZPSIRJSXFARYRJ-LBPRGKRZSA-N 287.413 3.642 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCc1cccnc1 457953007 WXPZSKOTXJGNNM-PBHICJAKSA-N 274.408 3.511 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@H]1c1ccccc1 538148641 YGILBQWGUMIGMZ-FZKQIMNGSA-N 280.346 3.890 30 20 CHED CCc1cnccc1CNc1nc(C(C)(C)C)ccc1C#N 613429144 MKUVQMLALMSMEG-UHFFFAOYSA-N 294.402 3.820 30 20 CHED C#CCC1(C(=O)Nc2scnc2CC)CCCCC1 276260569 BCXVFHZZOLCTMZ-UHFFFAOYSA-N 276.405 3.618 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 450363315 UUJUSXOEHPLPAA-BIENJYKASA-N 296.414 3.508 30 20 CHED CC[C@@H](C)CCCCC(=O)Nc1ccc(C#N)c(C#N)c1 612043767 FENZGGFHWFLFCX-CYBMUJFWSA-N 283.375 3.975 30 20 CHED C=CCC1(NC(=O)c2ccnc(C3CC3)c2)CCCC1 619110904 LGOICJAQVRDOGL-UHFFFAOYSA-N 270.376 3.578 30 20 CHED N#Cc1ccc(S[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 278642190 VISLJPRIENDTFW-GXSJLCMTSA-N 262.765 3.996 30 20 CHED C=C[C@@H](CC(=O)NCC1=CCCC1)c1ccccc1 620007002 KJFRKMOXHIFYHH-HNNXBMFYSA-N 255.361 3.573 30 20 CHED C=CCN(C(=O)c1cccc(Cl)c1)C(C)(C)C 622942460 MERBAUDKQQZNIP-UHFFFAOYSA-N 251.757 3.767 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)NCc1cccc(C#N)c1 272091293 SWQQSGFKDJIYQT-UGSOOPFHSA-N 298.361 3.563 30 20 CHED N#CCCCC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 360493962 ZRYZNGUQFVWFCY-HZPDHXFCSA-N 270.376 3.523 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccccc1 272171270 DGLHIMPGIVSGLX-CQSZACIVSA-N 262.356 3.898 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1cccs1 548420582 BWHOHIQWCAIJLJ-UHFFFAOYSA-N 285.412 3.896 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@H]1CCCC[C@H]1C 547419120 TYFLKEBWTRFJAT-TZMCWYRMSA-N 286.375 3.722 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 276260277 FPABEMUFAHJHSM-UHFFFAOYSA-N 299.374 3.998 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc(C)cc(C)n1 462718939 FCBPNQHPCGTTNZ-UHFFFAOYSA-N 275.396 3.909 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1 623857681 UGNUXRTYXIQCIT-FRRDWIJNSA-N 288.382 3.664 30 20 CHED Cc1cccc(C)c1OC[C@@H](N[C@@H](C)C#N)C(C)(C)C 464793577 SLYRTRXLVNIABR-LSDHHAIUSA-N 274.408 3.599 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2cccc(OCC#N)c2)CS1 276835695 BSTUOMPOWAKPGZ-ZFWWWQNUSA-N 290.432 3.921 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1OC(F)(F)F 466532658 XEPCTBHAKPFFLM-SNVBAGLBSA-N 287.281 3.670 30 20 CHED C=C[C@H](CC(=O)N1CC2(CCC2(F)F)C1)c1ccccc1 461267780 DFXBJHDWRYTLMB-CYBMUJFWSA-N 291.341 3.604 30 20 CHED C=C(C)[C@H](CC(=O)NCC1(CC)CCCCC1)OCC 545838741 VTHMQVJCVPLSNP-HNNXBMFYSA-N 281.440 3.834 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1cn(C)c2ccccc12 620859055 VWKAJAZCFZOABJ-UHFFFAOYSA-N 298.430 3.972 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)cc2C#N)C1 467283311 IFTDKIBYNRWGKZ-UHFFFAOYSA-N 262.784 3.834 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2c(Cl)cccc21 466377203 CBXDVEYNHVUESA-LLVKDONJSA-N 278.783 3.767 30 20 CHED C=CCCN(C)C(=O)C(C)(C)Cc1cccc(Cl)c1 466636829 FNXVLNPYNWKIIY-UHFFFAOYSA-N 279.811 3.943 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 467059800 PYDTULOQDKEMBM-HNNXBMFYSA-N 289.419 3.920 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C#N)oc1C 280618973 KVJLJRGLAVTDFN-XHDPSFHLSA-N 274.364 3.501 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)Oc1cccc(C)c1 620863939 JKCIZAXVXRIRPN-CQSZACIVSA-N 275.392 3.623 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1nc(CC)cs1 553276399 YXOSYEROJGTRKO-JTQLQIEISA-N 267.398 3.572 30 20 CHED N#Cc1cc(N2CCC[C@@H]2/C=C/c2ccccc2)ccn1 553518287 AUPVMMBFSOCWIR-KBOKABMXSA-N 275.355 3.635 30 20 CHED C[C@@H](Oc1ccc(-c2nnco2)cc1)c1ccc(C#N)cc1 478789140 QVWRKSVNQKXAAU-GFCCVEGCSA-N 291.310 3.748 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC1CCC(CC)CC1 473611834 ARHUNZIMLNMYOJ-VMBOVVBDSA-N 281.440 3.548 30 20 CHED CC(=NNc1ncncc1Cl)c1c(F)cccc1Cl 807983394 KLWYZVDYVIXYJY-UHFFFAOYSA-N 299.136 3.759 30 20 CHED C=C(C)CCNc1ccc(OC(F)(F)F)c(C#N)c1 809189462 KCQBUTQUHLMRCM-UHFFFAOYSA-N 270.254 3.835 30 20 CHED CSc1ccccc1[C@@H](C)NC(=O)C#Cc1ccccc1 800082820 AORBMBOJVAKPFF-CQSZACIVSA-N 295.407 3.637 30 20 CHED C=CCOCCCOc1cccc(-c2nccs2)c1 478838015 NZDRHWXDDPEODY-UHFFFAOYSA-N 275.373 3.782 30 20 CHED C#CCCCCCC(=O)OCc1csc(C)c1 806024198 AZHPKNJPWAZWBI-UHFFFAOYSA-N 250.363 3.683 30 20 CHED C#CC[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccccc1 290181523 VOBSWCCMWOTNKO-LJQANCHMSA-N 293.410 3.768 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801903740 YUMNDMQBDFHIBC-CABZTGNLSA-N 289.272 3.797 30 20 CHED C[C@]12CCN(c3cccc(F)c3C#N)C[C@H]1C2(Cl)Cl 804706198 QDWCSSKTHDPTAH-OLZOCXBDSA-N 299.176 3.717 30 20 CHED O=C(/C=C\c1cnccn1)c1ccc2ccccc2c1 809152673 VFYLTVHZNUGDOF-FPLPWBNLSA-N 260.296 3.526 30 20 CHED C=CCCc1ccccc1NC(=O)N1O[C@H]2C=C[C@H]1CC2 640119628 OGIRKHSNNHBVCI-GJZGRUSLSA-N 284.359 3.672 30 20 CHED C=CCC[C@H](N[C@H]1CCS[C@H]1C)c1ccco1 647359881 MNFFZLUWKALRBO-AVGNSLFASA-N 251.395 3.771 30 20 CHED C=CCOCCCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 294132415 KZBYWHPWOUYCHJ-SFHVURJKSA-N 299.414 3.723 30 20 CHED CC(C)Oc1cccc([C@@H](NCCCC#N)C(F)F)c1 566476525 ZFVLAVQTDHWMBJ-CQSZACIVSA-N 282.334 3.673 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C\c1ccc(O)c(O)c1O)CCC2 806550411 CJAPRIZTYGEZRH-HNIBHBHRSA-N 297.354 3.608 30 20 CHED C=CCC[C@@H](O)CN(CCC)[C@H]1CCc2ccccc21 472760663 ZGNSONZYTTXZOH-AEFFLSMTSA-N 273.420 3.713 30 20 CHED C[C@H](C#N)OCCN(C)c1ccc(-c2ccccc2)cc1 801923656 LXNFKHYHHUWEOW-OAHLLOKOSA-N 280.371 3.718 30 20 CHED CC(C)(C)c1ccc(-c2noc(CCCC#N)n2)cc1 291050433 IGSNXACSTLUKAS-UHFFFAOYSA-N 269.348 3.880 30 20 CHED C[C@@H](C(=O)OCCCSCC#N)c1cccc(Cl)c1 805467152 NYFJBJYZSQJBAR-LLVKDONJSA-N 297.807 3.634 30 20 CHED Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1C 294219865 KGLVXNIVFQSCJH-QGZVFWFLSA-N 268.360 3.716 30 20 CHED C=CCCC1(C(=O)NC[C@H](C)c2ccc(F)cc2F)CC1 476194075 GVGZFJTXTXOEBM-LBPRGKRZSA-N 293.357 3.931 30 20 CHED FCCC[C@@H]1CCCC1=NNc1nc2ccccc2[nH]1 800805018 NMXWBJVBPCGLSY-NSHDSACASA-N 274.343 3.881 30 20 CHED Cc1cc(OCc2ccccc2C#N)c2ccccc2n1 486231446 VYAZRIOJASHIGX-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1c(C)oc2ccccc12 488824864 YMOLENFXXXITAF-AWEZNQCLSA-N 283.371 3.851 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc2ccccc2n1C1CC1 815873479 HMNSYGJLRMEDQI-UHFFFAOYSA-N 291.301 3.521 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)C1CCN(C)CC1 814862338 KIGDLFOBONMOGK-UHFFFAOYSA-N 283.778 3.609 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(C#N)cn2)C1 568407819 TZNFRNKMEOVYDW-ACJLOTCBSA-N 295.361 3.675 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc1 642012325 BHFCNGIXMUHFPG-HIFRSBDPSA-N 273.376 3.560 30 20 CHED C=CCCCCOC(=O)[C@@H]1SCCc2ccccc21 811011881 PMVKHWZCGRNRML-OAHLLOKOSA-N 276.401 3.917 30 20 CHED C=CCC(C)(C)CN[C@@H]1CC[C@@H]2SCCS[C@H]21 815636769 BOBNHJVEOUJEBE-AGIUHOORSA-N 271.495 3.558 30 20 CHED COc1ccsc1C(=O)/C=C\c1cccc(F)c1C#N 811695016 ZJLBCCYGMPFRHN-WAYWQWQTSA-N 287.315 3.664 30 20 CHED CC#CCCNC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 488819439 SMLVHGZVVBPHRY-LSDHHAIUSA-N 269.388 3.506 30 20 CHED COc1cccc(O)c1C=Nc1cccc2cccnc12 812393637 GHNRINICYXOEJS-UHFFFAOYSA-N 278.311 3.700 30 20 CHED FC(F)(F)c1cccnc1NN=Cc1ccc(Cl)o1 814802070 XYVCOQQYKXLRPL-UHFFFAOYSA-N 289.644 3.793 30 20 CHED CC#CC(=O)N1CCCCC[C@H]1Cc1ccccc1Cl 818348627 BNKVWCSNWXQDLS-HNNXBMFYSA-N 289.806 3.677 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC[C@@H]2c2ccccc2)nc1 562047138 GYZSQXSRQNRQJM-MOPGFXCFSA-N 291.398 3.769 30 20 CHED C=CCC1(C(=O)N2Cc3cc(F)c(F)cc3C2)CCC1 654172639 LIXSZXVAWWERPI-UHFFFAOYSA-N 277.314 3.553 30 20 CHED COc1cc(OC)c(C(C)=NOC2CCC2)cc1Cl 812236935 APSWNJYDRGICMH-UHFFFAOYSA-N 283.755 3.650 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(F)cc2F)ccc1C#N 488103804 SGNYRKLKLMTTFP-GFCCVEGCSA-N 286.325 3.996 30 20 CHED CCC(=NOC1CCC1)c1ccccc1OC(F)F 814936333 LDMXDGZSFSBXHG-UHFFFAOYSA-N 269.291 3.971 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(C2CCCC2)cc1 572425034 FEHREYYHYBVJMH-MRXNPFEDSA-N 270.376 3.766 30 20 CHED C=CCn1cccc1C(=O)Nc1ccsc1Cl 489572519 OGFAIKAGJZTMTB-UHFFFAOYSA-N 266.753 3.641 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1Nc1cccc(C2CCC2)c1 812481129 KAAGGLYWAWSZBZ-UHFFFAOYSA-N 294.314 3.873 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1c(C)cccc1F 488552964 WCPLMHCJEDNNCM-GFCCVEGCSA-N 262.328 3.707 30 20 CHED C=CC[C@H](NC(=O)c1ccn(C(C)C)c1C)c1ccncc1 815622842 GSZBMUDURDXDTH-KRWDZBQOSA-N 297.402 3.820 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(/C=C/C)cc1 487944622 AJHUDNZVQHMFIM-PXTSUWAFSA-N 284.403 3.721 30 20 CHED C#Cc1cncc(C(=O)Nc2cccc(C3CCC3)c2)c1 812659055 FGUMZQPSKHHVSA-UHFFFAOYSA-N 276.339 3.583 30 20 CHED CC#CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 570121576 KFWIDOZIUGANBV-STQMWFEESA-N 296.197 3.579 30 20 CHED C=CCN(C)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 488969730 JSKMDGZPMDUYIE-SJORKVTESA-N 286.419 3.615 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1Cc1ccc(C)cc1 815607058 ONKJGCGMFRHRAL-HNNXBMFYSA-N 293.357 3.740 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1c2cc(C)ccc2C[C@@H]1C 578801895 BAJJDBHSROGWTK-FXECBMLZSA-N 285.431 3.799 30 20 CHED Cc1cccc(C2(NC(=O)C#CC(C)C)CCCC2)c1 825692267 GYNNSAJSLOKDLQ-UHFFFAOYSA-N 269.388 3.540 30 20 CHED C=C(Br)CN1CCCC[C@@H]1Cc1ccccc1 727222185 HHIFAMYAVNJGDJ-OAHLLOKOSA-N 294.236 3.992 30 20 CHED CCC[C@@H](Cc1ccccc1)/N=C\c1ccc(O)c(O)c1O 727781717 VWXNKISAJOVOKM-CCRNYGKSSA-N 299.370 3.634 30 20 CHED C#CCCCOC(=O)C1(c2cccc(Cl)c2)CCC1 727041870 RGSKVDOXAGGFMK-UHFFFAOYSA-N 276.763 3.718 30 20 CHED C#C[C@H](N[C@H](C)[C@H]1CCCOC1)c1ccc(Cl)cc1F 491229440 GYPFOVUZRAZRTQ-WQGACYEGSA-N 295.785 3.558 30 20 CHED C=CC[C@H]1CCCN([C@@H](C)c2nc(O)c3ccccc3n2)C1 661381219 XVOSUJNHBQCLLY-KBPBESRZSA-N 297.402 3.685 30 20 CHED C=CC[C@H](CC)Nc1ccc([N+](=O)[O-])c(C(=O)OCC)c1 589600128 KVLLMMHASCUVDA-NSHDSACASA-N 292.335 3.538 30 20 CHED Cc1csc(NC(=O)NCC2(C3CC3)CCC2)c1C#N 584448361 QVZOOEYSBPJVJG-UHFFFAOYSA-N 289.404 3.630 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(F)cc1)C2=O 729149688 GFGUFUXOJGLPFU-LCYFTJDESA-N 252.288 3.957 30 20 CHED C#CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 733979196 UVENCRZAKFDONW-WDEREUQCSA-N 296.197 3.625 30 20 CHED C=C(C)CN(CC)C(=O)c1ccn(C)c1-c1ccccc1 666259911 VPNOWVCUAGVLDB-UHFFFAOYSA-N 282.387 3.730 30 20 CHED N#CCCCCCC(=O)NCC1(Cc2ccccc2)CC1 588162116 OHHJUUXCEIMVMV-UHFFFAOYSA-N 284.403 3.600 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)c1 731843070 WIFHIUPOHCSHMX-UHFFFAOYSA-N 286.334 3.915 30 20 CHED C#CCN(C(=O)c1cc2c(ccc3ccccc32)[nH]1)C1CC1 491619452 DSUJZHHPNMLNGP-UHFFFAOYSA-N 288.350 3.559 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCC1=CCCCC1 491579917 WCVMPVSEQPCIRZ-OAHLLOKOSA-N 262.397 3.627 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)c(Cl)c1 586977016 ZGQXNVYPEMYQLE-VIFPVBQESA-N 292.169 3.855 30 20 CHED CC[C@@H](Nc1ncccc1C#N)c1ccccc1OC 733186981 MKMNKPHUESDRER-CQSZACIVSA-N 267.332 3.525 30 20 CHED CN(CCCCC#N)Cc1ccc(Br)c(F)c1 494245311 QCGCKBYMKKHCFL-UHFFFAOYSA-N 299.187 3.714 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc3[nH]ccc23)C1 665927391 HHTUHMHCYIKKAZ-ZDUSSCGKSA-N 283.375 3.988 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc3c1OCCO3)C2 730948969 POIMUMMBYHPPOD-PTNGSMBKSA-N 292.334 3.589 30 20 CHED C#CCCCCNC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 838514606 RZZQBXRKPXIGMI-INIZCTEOSA-N 290.451 3.790 30 20 CHED CCC[C@H](C=NNc1nc2ccccc2cc1C)OC 834970705 NPYAYJGERAYVGY-CQSZACIVSA-N 271.364 3.756 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2cc(C)c(F)cc2s1 900772756 ODOLMYDANGMJBJ-AWEZNQCLSA-N 291.351 3.622 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(Cl)cc1 837312300 MLWWYGYFHROPIW-LLVKDONJSA-N 263.768 3.567 30 20 CHED CC(C)CCCCC(=O)Nc1ccc(F)cc1OCC#N 837469495 AQXOVEHJUACMRB-UHFFFAOYSA-N 292.354 3.883 30 20 CHED Cc1cc(NN=Cc2c(Cl)cccc2Cl)ncn1 731935469 APRBYAAARYHZBV-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1nc2ccccc2s1 735102312 FTVNEODGUBDKAD-QWRGUYRKSA-N 289.404 3.621 30 20 CHED CC[C@@H](NCC[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(C#N)c1 903018177 YKGFOWURJLOJIL-BSDSXHPESA-N 284.403 3.557 30 20 CHED CCC/C(C)=C/C(=O)Nc1cc(C#N)cn1C(C)(C)C 730937102 UQYBIVMMOIXYRY-XYOKQWHBSA-N 273.380 3.800 30 20 CHED Cc1ccc(CC(=O)O[C@@H]2CCC[C@H](C#N)C2)c(Cl)c1 839058743 LUMKOZMDHKCBSO-GXTWGEPZSA-N 291.778 3.817 30 20 CHED CCON=C1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 834937162 LFAZPXDWBQCLKY-JSGCOSHPSA-N 296.411 3.579 30 20 CHED Fc1cccc(F)c1NN=CC1=Cc2ccccc2OC1 735615944 TUQNGPKAYQVKFX-UHFFFAOYSA-N 286.281 3.839 30 20 CHED C#CCCCCCC=NNc1ccc(OC)cc1[N+](=O)[O-] 834965193 LOMRUJYCPZMKAM-UHFFFAOYSA-N 289.335 3.585 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)C1CCC1 838965246 STBQHOQVLFWMKF-CABZTGNLSA-N 296.292 3.713 30 20 CHED Cc1ccc([C@@H](C)NCC(C)(C)CCC#N)c(C)n1 588231645 HODQHKULVUHAHV-CYBMUJFWSA-N 259.397 3.679 30 20 CHED COc1ccc2ccccc2c1CNC(=O)C#CC(C)(C)C 837329288 DQRVMYLSHNKHHL-UHFFFAOYSA-N 295.382 3.514 30 20 CHED N#CCCN(C(=O)C1=CCCCC1)c1ccc(F)cc1 580031979 SDXJQUYKLYLGFC-UHFFFAOYSA-N 272.323 3.573 30 20 CHED C[C@@H](NN=C1CC(C)(c2ccccc2)C1)C(F)(F)F 835001443 OHBGRQYLNDZLJV-VUUHIHSGSA-N 270.298 3.635 30 20 CHED C#CCC[C@H](C)OC(=O)C[C@@H](C)c1ccccc1OC 839041703 XKWIGOSFEHEQJL-KGLIPLIRSA-N 274.360 3.534 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NNCc1ccccc1 733201214 GUBCAFUJWWQXEC-UHFFFAOYSA-N 296.267 3.968 30 20 CHED C[C@H](NC(=O)C(C1CCC1)C1CCC1)c1cccc(C#N)c1 586790879 AFVZJDOIVVUJEG-ZDUSSCGKSA-N 296.414 3.952 30 20 CHED C=CC[C@H](CC)NC(=O)NCC[C@@]1(C)CC1(Cl)Cl 836441564 JIGILVFALWKDPF-JQWIXIFHSA-N 293.238 3.614 30 20 CHED C=C1CCN(CC(=O)Nc2ccc([C@H](C)CC)cc2)CC1 731032242 FUOQEVNOGIAFNR-OAHLLOKOSA-N 286.419 3.791 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)C(C)(C)F)c2C#N)[C@H](C)C1 839389955 UXMZBCMPLZJPRH-DTWKUNHWSA-N 294.395 3.992 30 20 CHED C#CCOC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F 730631220 MALOPHMUBHGVRO-UHFFFAOYSA-N 282.314 3.900 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)OC[C@H](C#N)Cc1cccs1 835260640 JGUWWLMSCKFIGC-DVOMOZLQSA-N 291.416 3.800 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)C1CCCCC1 916240922 WGSQMAGBRAYIDQ-UHFFFAOYSA-N 260.337 3.753 30 20 CHED CSC1(C=NNc2cc(Cl)ccc2[N+](=O)[O-])CC1 835009634 XFYNUMKTROJKGP-UHFFFAOYSA-N 285.756 3.542 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(C#N)cc1 916248090 KMCTVCIDKNHATB-UHFFFAOYSA-N 271.270 3.673 30 20 CHED Cc1cc(C)c(NN=Cc2ccc(C#N)cc2)c(C)c1 916339195 GVGBUZSTFGIZHM-UHFFFAOYSA-N 263.344 3.930 30 20 CHED C#C[C@H](Cc1ccccc1)OC(=O)[C@@H](CC)CC(F)(F)F 835240588 KDDYWTNWTCICLN-UONOGXRCSA-N 298.304 3.753 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccc(C)s1)C(C)C 919786864 FGESKRPCTARUKU-LBPRGKRZSA-N 266.410 3.724 30 20 CHED Cc1ccc(F)c(Cc2noc(CCCCCC#N)n2)c1 590779136 DSMQXLLSLSZGBZ-UHFFFAOYSA-N 287.338 3.734 30 20 CHED CC[C@H](C)CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 596728352 QAAGBHJOVWWZGB-AWEZNQCLSA-N 299.418 3.668 30 20 CHED FC(F)Oc1cccc(C=NNc2ccc(Cl)nc2)c1 743450764 PVLKPRCJFNRBSY-UHFFFAOYSA-N 297.692 3.782 30 20 CHED N#CCC1CCN(c2nc3ccccc3n3cccc23)CC1 596189495 IWGOHPWQXFHFAP-UHFFFAOYSA-N 290.370 3.618 30 20 CHED CC[C@@H](c1ccccc1)N(C(=O)CSCC#N)C(C)C 598884255 BFHUDLRNIFTRKV-HNNXBMFYSA-N 290.432 3.631 30 20 CHED N#CC[C@H](CC(=O)NC1CC2(CCC2)C1)c1ccccc1 593883903 WGNGNXXFWMMASD-OAHLLOKOSA-N 282.387 3.523 30 20 CHED Cc1ccccc1CCC(=O)OCc1ccc(C#N)cc1C 748906856 PSNIRIGLPRRUAO-UHFFFAOYSA-N 293.366 3.851 30 20 CHED CCOc1cccc(C(C)=NNc2ccccc2C(=O)O)c1 743526169 OBWDJAONBMMRAV-UHFFFAOYSA-N 298.342 3.620 30 20 CHED CC(C)(C#N)OC(=O)CCc1c(Cl)cccc1Cl 847662675 UIHPAGLZCQAJAW-UHFFFAOYSA-N 286.158 3.771 30 20 CHED C#C[C@H](NC(=O)[C@H]1C[C@H]1c1sccc1C)c1ccccc1 843643152 PXRJGBHMRHRWER-PMPSAXMXSA-N 295.407 3.651 30 20 CHED Cc1ccc2c(C=NNc3cc(Cl)nc(C)n3)c[nH]c2c1 741763977 MYQSBSRISNJQAM-UHFFFAOYSA-N 299.765 3.674 30 20 CHED Clc1ccccc1CNN=CC1=Cc2ccccc2OC1 918153492 WSJKNBLKDPCFRU-UHFFFAOYSA-N 298.773 3.891 30 20 CHED N#CC1(CCOc2cccc(-c3nnco3)c2)CCCCC1 591364353 PTISSYHXKJKBJU-UHFFFAOYSA-N 297.358 3.980 30 20 CHED CC(C)c1csc(Sc2ncccc2C#N)n1 593495829 KLYWPMCRJRSRFB-UHFFFAOYSA-N 261.375 3.684 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(C)[C@@H](C#N)CC 847170431 ZEDVNFCSIHLQCJ-ZIAGYGMSSA-N 252.402 3.744 30 20 CHED CC/C(C)=C/C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842943100 PQDPEOFLSSSEKJ-LAHYYIKRSA-N 260.362 3.553 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)N[C@H](CC)CCC 743199498 FCJJRLGNCMQWBU-CYBMUJFWSA-N 292.354 3.538 30 20 CHED C[C@H](NC(=O)C1CCC2(CC1)CC2)c1cccc(C#N)c1 597330850 XLLOIAYSCNVYIP-ZDUSSCGKSA-N 282.387 3.706 30 20 CHED CC(=O)CCCCCOC(=O)CC1(C#N)CCCCC1 849906591 DSEZGHRWJZIFKP-UHFFFAOYSA-N 279.380 3.543 30 20 CHED CCC/C(C)=C/C(=O)Nc1cc(C#N)ccc1OCC 920225282 WDYLHRHCCFCYGV-FMIVXFBMSA-N 272.348 3.642 30 20 CHED CCC[C@H](C)C(CC)=NNc1ccc([N+](=O)[O-])cn1 748249106 RZIXQEVBFGAHMU-JTQLQIEISA-N 264.329 3.604 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1cc(F)cc(F)c1O 757474951 DRKPMOSSMCCKGE-DAFODLJHSA-N 296.219 3.845 30 20 CHED COCC(C)(C)C=NNc1ccc(C#N)c(C(F)(F)F)c1 754942375 BVVVOJNACVACRP-UHFFFAOYSA-N 299.296 3.647 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCCS1 756980675 VKIABPSZNFEYII-CYBMUJFWSA-N 257.443 3.749 30 20 CHED CN(Cc1ccc(OCC#N)cc1)C1CCC(C)(C)CC1 756028012 KUDJQTQCFHQGNJ-UHFFFAOYSA-N 286.419 3.990 30 20 CHED COC1(C(C)=NNc2ccccc2Cl)CCC1 853256799 BUYXDLDGGZNUSD-UHFFFAOYSA-N 252.745 3.697 30 20 CHED C/C=C/C=C/C(=O)N(c1ccc(C#N)cc1)C1CCC1 857676658 GJTAKAJAORKLIL-CRBCFSCISA-N 266.344 3.576 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 683788458 OIJVEMZHHRJUHE-IIAWOOMASA-N 287.403 3.903 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)cc2O)c(OC)c1 757474485 BSIUOZJRCMYBAK-TWGQIWQCSA-N 298.338 3.614 30 20 CHED Fc1ccccc1NN=Cc1csc(C2CC2)n1 920370850 AYXSOQXBBXIOEH-UHFFFAOYSA-N 261.325 3.606 30 20 CHED C#CCCCCC(=O)OCc1nc2cc(C)ccc2s1 859623071 JLRFQCLCWIOIDH-UHFFFAOYSA-N 287.384 3.842 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNc1ccccn1 756878080 YSZOEXOVZGSUCU-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CCc1ccc(CC(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851207175 UHCZWAGHGRNCGK-ZDUSSCGKSA-N 273.376 3.663 30 20 CHED Cc1ccc(F)cc1NN=Cc1cnc(C(C)(C)C)nc1 853393316 BMTLPPQBAYJMBT-UHFFFAOYSA-N 286.354 3.668 30 20 CHED C[C@H](NN=C1[C@@H]2CCC[C@@H]2C1(C)C)c1ccncc1 853358484 ATMGRMNCDSETBI-YUTCNCBUSA-N 257.381 3.544 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(C3CC3)cc2)C1 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BDMAENRORMRCNB-UHFFFAOYSA-N 297.406 3.548 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C(CC(C)C)CC(C)C 1526593206 BWLIXFQOMMLNNL-OAHLLOKOSA-N 289.423 3.788 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(C)CCCCCC2)n1 1527220191 YYYOLVSPHBACHX-UHFFFAOYSA-N 271.364 3.561 30 20 CHED C=C(CC)C(=O)N[C@@H](CC)c1ccccc1OC(F)F 1527442425 AALHDBBGOMIKLG-LBPRGKRZSA-N 283.318 3.822 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C(CC(C)C)CC(C)C 1526593197 BWLIXFQOMMLNNL-HNNXBMFYSA-N 289.423 3.788 30 20 CHED Cc1cc(S[C@H](C(=O)O)c2ccccc2)ccc1C#N 1600302236 NGWMTYVXCDJPHK-HNNXBMFYSA-N 283.352 3.785 30 20 CHED C[C@@H]1Cc2cc(CNc3ccc(Cl)c(C#N)n3)ccc2O1 1612874652 FUFZIZSMGDDDSL-SNVBAGLBSA-N 299.761 3.542 30 20 CHED Cc1ccc(C#N)c(NCC(C)(C)c2ccccc2C)n1 1611917787 NCVXYSCGUQUNJL-UHFFFAOYSA-N 279.387 3.960 30 20 CHED N#Cc1cc(Cl)cc(OCCc2ccccc2F)c1 1559420240 ISPNPOVKXLEWPU-UHFFFAOYSA-N 275.710 3.972 30 20 CHED CCCN(CC)C(=O)c1c(Cl)cc(C#N)cc1Cl 1629131438 YHJHSVDRJCZTJH-UHFFFAOYSA-N 285.174 3.737 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)Cc2ccc(C(C)C)cc2)n1 1639656505 ZAPBLGIPBQOQPV-CYBMUJFWSA-N 294.402 3.823 30 20 CHED CN(Cc1cccc(C#N)n1)[C@@H]1CCC[C@H]1C(C)(C)C 1560893518 PKUPHXTUWWZHFW-HZPDHXFCSA-N 271.408 3.600 30 20 CHED C=CC1(CC(=O)N[C@@H](CC(C)(C)C)C(=O)O)CCCCC1 1573350141 CRQZBPHVRAMKDG-ZDUSSCGKSA-N 295.423 3.519 30 20 CHED Cc1ccc(-n2ccnc2S[C@H](C#N)C2CC2)c(C)c1 1643526358 OLLYJMSBDIBXAY-OAHLLOKOSA-N 283.400 3.883 30 20 CHED N#Cc1cccc(Sc2nc3cc(F)ccc3s2)n1 1640396790 WJTKPJGMFQJFCE-UHFFFAOYSA-N 287.344 3.853 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H](C)c2ccccc2)c1 1583754810 DDPFBWVPRCZEFI-CQSZACIVSA-N 278.355 3.999 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1Nc1cccc(C#N)n1 1651482211 ASWDQZJHCKQZCK-UKRRQHHQSA-N 257.381 3.970 30 20 CHED C[C@H](CN(C)c1ccc(C#N)cn1)C1CCCCC1 1651317660 DAUXQIUZXBMGAT-CYBMUJFWSA-N 257.381 3.606 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 1584674459 KSNRMMNRJGPFQW-KGLIPLIRSA-N 298.292 3.579 30 20 CHED C=CCCCC(=O)Nc1c(C(=O)O)ccc2ccccc12 1588782355 CXYLHLXPZBCROE-UHFFFAOYSA-N 283.327 3.833 30 20 CHED C[C@H](OC(=O)c1ccsc1C#N)c1c(F)cccc1F 1586464437 JUQRJBADJGCDFC-QMMMGPOBSA-N 293.294 3.816 30 20 CHED C[C@@H]1C[C@@H]1CNC(=O)Nc1scc(C(C)(C)C)c1C#N 1677855018 FUELTKFHSRVDTL-NXEZZACHSA-N 291.420 3.695 30 20 CHED Cc1ccccc1C(=O)/C=C\c1csc(C(=O)O)c1 1777465321 PSRPWMBQWKMBDV-SREVYHEPSA-N 272.325 3.651 30 20 CHED C=CCC[C@@H](CC(C)C)C(=O)NCC(CC)(CC)C(=O)O 1776166565 JPZNCZCFGFAYEP-AWEZNQCLSA-N 297.439 3.622 30 20 CHED C=CCCCN(C)c1c(C(=O)O)cnc2c(C)c(C)ccc12 1776207663 BYCAQCHZBGQRNK-UHFFFAOYSA-N 298.386 3.952 30 20 CHED C=CCC1(C(=O)O)CCN([C@H]2C=CCCCCC2)CC1 1776159690 WJCJBOGKQVGUIB-HNNXBMFYSA-N 277.408 3.618 30 20 CHED O=C(O)c1ccc2[nH]cc(C=NOC3CCCCC3)c2c1 1776056370 FVWKRURKBDHSCJ-UHFFFAOYSA-N 286.331 3.549 30 20 CHED CCCCCCCC(=O)N(CC)Cc1ccncc1 163062241 HDCPBKNZLIREND-UHFFFAOYSA-N 262.397 3.791 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(OC(F)F)cc1 163364787 OQOGBUFCZDRRFF-SECBINFHSA-N 261.699 3.691 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H](C)C1 152721766 ZVBNJHQFAGRXCN-YJBOKZPZSA-N 296.414 3.899 30 20 CHED N#CCC[C@H](C#N)COc1c(Cl)cccc1Cl 153091427 DVOSRVYKBVAWOM-SECBINFHSA-N 269.131 3.816 30 20 CHED N#Cc1ccc(CN2CCCCC[C@H]2c2ccncc2)o1 157012217 BWKHOAIBCOKXBG-KRWDZBQOSA-N 281.359 3.664 30 20 CHED C=C(C)CN(CC)C(=O)c1sc(C)nc1CC(C)C 155124174 XFLZXKOSZVETHX-UHFFFAOYSA-N 280.437 3.688 30 20 CHED C=CCC[C@@H](NC(=O)N[C@@H](C)CC)c1ccccc1 156119206 DHCVTXKYRREPLJ-DZGCQCFKSA-N 260.381 3.792 30 20 CHED C=C(C)CNC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 157609139 DPYKLXDLKVCWHD-UHFFFAOYSA-N 285.347 3.656 30 20 CHED C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C#N)c(Cl)c1 154157664 AVJGFDCPZLKPAK-GHMZBOCLSA-N 276.767 3.615 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(F)cc1 156759897 FXBIOKVFSRLIAD-UHFFFAOYSA-N 263.356 3.573 30 20 CHED CSc1ccc(CNCc2ccc(C#N)c(F)c2)s1 1206295003 YRQCGXICWBHHPG-UHFFFAOYSA-N 292.404 3.771 30 20 CHED C#Cc1cccc(CNCc2ccc(C3CC3)cc2)c1 839126947 DBXVSPBGNBCZEU-UHFFFAOYSA-N 261.368 3.835 30 20 CHED Cc1ccnc(N(C)[C@@H](C)c2ccccc2F)c1C#N 135076753 NLFLCKBWEHVTPR-LBPRGKRZSA-N 269.323 3.598 30 20 CHED CC(C)[C@H]1CCC[C@@H]1NCc1cccc(OCC#N)c1 1319894708 QFYLFKLWWCFWDQ-SJORKVTESA-N 272.392 3.503 30 20 CHED CC(C)CN(CCC#N)Cc1cc(Cl)cc2c1OCC2 136410068 UECZVALJQNDATH-UHFFFAOYSA-N 292.810 3.647 30 20 CHED N#Cc1cccc(NCc2cc(Cl)c3c(c2)OCO3)c1 37302522 WBBNMYJTOUNMJN-UHFFFAOYSA-N 286.718 3.552 30 20 CHED N#CC1(NC(=O)c2cc(Cl)cc(Cl)c2)CCCCC1 40215351 WSFKQMHJKCITRN-UHFFFAOYSA-N 297.185 3.950 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cncs1 279625802 HIQAFUPAYQAINT-UHFFFAOYSA-N 258.390 3.721 30 20 CHED C=CCCC(C)(C)NCc1ccn(-c2ccccc2)n1 657805435 OPCYXCHEWAALCY-UHFFFAOYSA-N 269.392 3.707 30 20 CHED C#C[C@H](CC)NC(=O)c1sc2ccccc2c1Cl 700590235 YOYTZRSCFRRSIK-SECBINFHSA-N 277.776 3.696 30 20 CHED N#CCc1cccc(NC(=O)CCCc2cccs2)c1 313444467 LSDNFPANLZEHII-UHFFFAOYSA-N 284.384 3.776 30 20 CHED N#CCc1ccc(NCc2cccc3[nH]ccc23)cc1 80336216 RSXZYJMSXAWQFR-UHFFFAOYSA-N 261.328 3.846 30 20 CHED CCN(Cc1ccc(C)cc1)c1ncc(C#N)cc1Cl 522271311 ZEHDPFXKCRCYCE-UHFFFAOYSA-N 285.778 3.942 30 20 CHED N#CCC1CCN(Cc2cccc(Cl)c2F)CC1 335913622 HSFAIXFBLKCKDZ-UHFFFAOYSA-N 266.747 3.605 30 20 CHED N#Cc1ccc(N2CCC[C@H]3C[C@H]32)cc1C(F)(F)F 588065969 GFXDGDWRDCJIHL-TVQRCGJNSA-N 266.266 3.566 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)[C@H]2CCC[C@@H]21 378824236 GSADQFCXEPTATI-HOCLYGCPSA-N 272.367 3.708 30 20 CHED N#Cc1ccc(N2CCC[C@H](CF)C2)cc1Br 711518757 NKAYRYNUXZAIHX-SNVBAGLBSA-N 297.171 3.507 30 20 CHED C=CC(C)(C)CN[C@@H](CC)c1ccc(OC)c(OC)c1 384850522 LHMPDSBGDFEEIT-AWEZNQCLSA-N 277.408 3.957 30 20 CHED CC#CCCCC(=O)Nc1cccc2ccccc12 6262176 MIYZWWCKFNKRJW-UHFFFAOYSA-N 251.329 3.972 30 20 CHED N#CCCCN(Cc1ccco1)Cc1cccs1 52922942 HRZMZUKHYXDWIN-UHFFFAOYSA-N 260.362 3.647 30 20 CHED CC(C)c1ccccc1NCC(=O)NC1(C#N)CCCCC1 25894209 DWEPRCSNLWYKPI-UHFFFAOYSA-N 299.418 3.565 30 20 CHED C[C@H](CC1CC1)NCc1cccc(OCCCC#N)c1 112711583 UFPZWNLAHQWLOW-CQSZACIVSA-N 272.392 3.647 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(C)cc1 104542756 YDRBKHZVKNWTIW-UHFFFAOYSA-N 272.392 3.787 30 20 CHED CSc1ccc([C@@H](C)NCCCCC#N)cc1F 178643831 CKFCAIBIKMCWAQ-LLVKDONJSA-N 266.385 3.892 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)N(C)c1cccc(C#N)c1 66028212 SEGDUFYQMOXYQA-CYBMUJFWSA-N 296.345 3.539 30 20 CHED CC(C)C[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 179102497 FQOQLCNBPHUDKR-AWEZNQCLSA-N 299.418 3.667 30 20 CHED C=C[C@H](CC(=O)N(CC(F)(F)F)C1CC1)c1ccccc1 179985618 XMRJFXDYJZHLEE-GFCCVEGCSA-N 297.320 3.900 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc2ccccc2c1 117046038 GNGUDTBPTLJDTH-ZDUSSCGKSA-N 268.360 3.604 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 55428187 XQFJEDYPKUKZIG-WBMJQRKESA-N 292.338 3.945 30 20 CHED Cc1nn(C)cc1[C@@H](C)Nc1cccc(OCCCC#N)c1 172682979 WTPZSVQRLVNHLW-CYBMUJFWSA-N 298.390 3.584 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 176862217 OXQWVTJEBUHHBE-XEZPLFJOSA-N 290.382 3.883 30 20 CHED COc1cccc(/C=N/C[C@@H](C)Oc2ccc(C)cc2)c1O 173987436 AGPFKKCQMSDNCE-ONDHQXCVSA-N 299.370 3.596 30 20 CHED CCCCCCCCCCCC(=O)N1CCO[C@@H](C#N)C1 113196137 BWPSOYDTHILQTR-INIZCTEOSA-N 294.439 3.658 30 20 CHED Cc1nc(C)c(C#N)c(SCc2cccc(Cl)c2)n1 25959366 ADJYBTMIUIIRSD-UHFFFAOYSA-N 289.791 3.911 30 20 CHED COc1cccc(Sc2ccc(C#N)cc2[N+](=O)[O-])c1 24216169 JAHBDHCCNZMYHX-UHFFFAOYSA-N 286.312 3.626 30 20 CHED Cc1cc2cc(CNCCCCC#N)oc2cc1C 174977145 QFUCKECUUBPDAQ-UHFFFAOYSA-N 256.349 3.833 30 20 CHED C[C@H]1CN(c2c(Cl)cccc2C#N)C[C@@H](C)S1 301486017 ZOUSOVQESXAAFN-AOOOYVTPSA-N 266.797 3.542 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(CN(CC)C(C)C)cc1 116855301 PSFUSVVLMXXJPT-OAHLLOKOSA-N 288.435 3.611 30 20 CHED CC(=O)Nc1ccc(Sc2c(C#N)cccc2C#N)cc1 302435924 MHRNAVRVSAQHQR-UHFFFAOYSA-N 293.351 3.540 30 20 CHED CCC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 125607713 XRCOALNPHSNYHP-GDBMZVCRSA-N 299.418 3.841 30 20 CHED C[C@@H](OC(=O)c1cccc(F)c1)c1ccc(C#N)cc1 175782049 PRXXLNZNQIWZEW-LLVKDONJSA-N 269.275 3.615 30 20 CHED N#Cc1ccccc1/C=C1\Cc2c(F)cc(F)cc2C1=O 121369434 KFJFINUJEDDWMI-LFYBBSHMSA-N 281.261 3.659 30 20 CHED C=CCSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 127215001 MGZGOATYGKAGMA-CMPLNLGQSA-N 251.399 3.616 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1nc2ccccc2s1 189413736 COPXWJASXTWHAW-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CC#CCCCC(=O)N1CCC(c2ccccc2C)CC1 185491444 DZVZXUQYKWMFDX-UHFFFAOYSA-N 283.415 3.895 30 20 CHED C=CCC[C@H](NCCCCNc1ccccn1)C1CC1 120904670 PWXJEDSZCSRJNG-INIZCTEOSA-N 273.424 3.608 30 20 CHED CCOC(=O)c1sc(/C=C/c2ccccc2C#N)nc1C 121168507 KPRSLZQPTVGLSY-CMDGGOBGSA-N 298.367 3.670 30 20 CHED CC[C@@H](c1ccccc1)[S@](=O)CCC(C)(C)C#N 123532637 RLUVBKDDRUXFOG-KSSFIOAISA-N 263.406 3.826 30 20 CHED C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 183770794 DHSHMVRXKQPQME-ZTFGCOKTSA-N 296.414 3.528 30 20 CHED C#CCCCOC(=O)c1cccc(Oc2nccs2)c1 77866675 OCXWOYXYMGZFOS-UHFFFAOYSA-N 287.340 3.506 30 20 CHED C[C@H](NCc1ccc(C#N)o1)c1ccc(C2CC2)cc1 418110119 BDIFVNURDALXMY-LBPRGKRZSA-N 266.344 3.879 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(Cl)c1C 187755191 ZOLNYIHWJQLLPN-HNNXBMFYSA-N 281.783 3.816 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@@]1(C)C(C)C 185209221 LPUCROAVDNOQJS-HOCLYGCPSA-N 277.433 3.945 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 121513956 GWZWQEOKSMWIRL-UHFFFAOYSA-N 298.338 3.775 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)CCC1CCCC1 411071810 SYVVOEXYPFZFHH-UHFFFAOYSA-N 284.359 3.670 30 20 CHED C=CCCNc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C 77245595 GMPJLAPCSNGAIU-CQSZACIVSA-N 286.419 3.855 30 20 CHED N#Cc1ccc(NC(=O)c2ccoc2Cl)c(Cl)c1 236027974 BIJKTHMBYDAUBS-UHFFFAOYSA-N 281.098 3.710 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)cc2C#N)c(F)c1 185388372 LWBHEESECFDXLP-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CC#CCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 413457821 LQWSGRQJDHYDEF-QZTJIDSGSA-N 298.430 3.768 30 20 CHED CCCCCC(=O)N(CCC)Cc1ccc(C#N)cc1 45404924 VVDHMHIEIZVHCY-UHFFFAOYSA-N 272.392 3.877 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 410832506 DDMFWHUFARATKT-SOUVJXGZSA-N 290.794 3.594 30 20 CHED CC(C)(C)N(CC#N)Cc1ccccc1Br 132634798 DLLPCMFJXGMGOI-UHFFFAOYSA-N 281.197 3.573 30 20 CHED C=C(C)[C@H](N[C@@H](C)CCCOC)c1ccc(F)c(F)c1 186454818 FTYUMLUMOUSFEL-LRDDRELGSA-N 283.362 3.987 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(OCC)c(OC)c1 509027072 BUUMRCWSUCIHOD-CYBMUJFWSA-N 263.381 3.711 30 20 CHED CS[C@H]1CC[C@H](Nc2cc(Cl)ccc2C#N)C1 78476395 CEDKBUDXGWRHHE-RYUDHWBXSA-N 266.797 3.908 30 20 CHED C=CC[C@H](C(=O)N(CC)CC(C)C)c1ccccc1 186594758 HCFPCUSUFOOCPG-INIZCTEOSA-N 259.393 3.851 30 20 CHED N#CC1(CCN2CCSC[C@@H]2C2CC2)CCCCC1 411788273 MDEMUPNYPVXGQH-OAHLLOKOSA-N 278.465 3.678 30 20 CHED CC[C@H](/N=C(/O)c1cncc2ccccc12)C1CCOCC1 329941577 GTQSSCLHNODSBM-KRWDZBQOSA-N 298.386 3.745 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C)CC1 413828538 VCZKXMMVAGHYHC-KRWDZBQOSA-N 286.419 3.615 30 20 CHED COc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1OC(C)C 193295230 BXDLNWBULADRJG-KGLIPLIRSA-N 288.391 3.977 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)C(C)(F)F 412839547 LVLQNVVQWHHUSR-OCCSQVGLSA-N 281.346 3.581 30 20 CHED CC[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)C1CCCC1 411064073 MEZYEECBAJHAIH-QGZVFWFLSA-N 296.414 3.675 30 20 CHED CC[C@](C)(C#N)C(=O)NCCc1cc(Cl)cc(Cl)c1 285158103 SCBXNZGFIWPOPB-CQSZACIVSA-N 299.201 3.592 30 20 CHED C=CCC[C@H](CC)NC[C@](C)(O)c1ccc(F)cc1F 89727062 GUQLFOBHEIZBLW-BBRMVZONSA-N 283.362 3.507 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1c(Cl)cccc1Cl 47380304 YMUXOOFYZZPGIW-VOTSOKGWSA-N 295.169 3.931 30 20 CHED C=CCCCCCS[C@@H](C)C(=O)Nc1cc(C)no1 192550223 KYLXVJIKQVJOEQ-LBPRGKRZSA-N 282.409 3.790 30 20 CHED CCCCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CC1 47052193 MVFWCGZHUHYSRC-ZDUSSCGKSA-N 285.391 3.593 30 20 CHED Cc1cccc2c1OC/C(=C\c1cccc(F)c1)C2=O 48985542 VBPCUDSTQRWFAJ-MDWZMJQESA-N 268.287 3.793 30 20 CHED CCn1c(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)nc2ccccc21 328951231 XDZAVAJIZFJKLX-VXGBXAGGSA-N 299.374 3.650 30 20 CHED C=C(Cl)CNC(=O)c1cc(CC)c(CCC)s1 134806877 HBGSSVPJBZRUEN-UHFFFAOYSA-N 271.813 3.745 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(OC)cc2)no1 191165285 MPOMJDIMGKINNO-HNNXBMFYSA-N 258.321 3.599 30 20 CHED Cc1cc(F)ccc1C=C1C(=O)c2ccccc2C1=O 195171823 RUTWFFHSYXUBLJ-UHFFFAOYSA-N 266.271 3.597 30 20 CHED CCCOc1ccc(OC(=O)C2(C#N)CCCCC2)cc1 194315965 BPLHIZKKPYKIGU-UHFFFAOYSA-N 287.359 3.855 30 20 CHED Cc1ccc(C)c(N(C)CCOc2cccc(C#N)c2)c1 515508595 IPFVQBULSYOJBF-UHFFFAOYSA-N 280.371 3.690 30 20 CHED C=CCNC(=O)c1ccc(NCc2cc(F)ccc2C)cc1 195127772 LJBMKLOMKPDYGX-UHFFFAOYSA-N 298.361 3.662 30 20 CHED C[C@H](/C(O)=N/[C@H]1CCC(O)=NC12CCC2)c1cccs1 328746448 OSJGVLLPTDOCDA-JQWIXIFHSA-N 292.404 3.850 30 20 CHED CCCCCCC(=O)[C@H](C#N)c1nc2ccccc2o1 193623204 ZQPGQCMRJDHOBM-LBPRGKRZSA-N 270.332 3.974 30 20 CHED O/C(=N/Cc1noc(C2CC2)n1)[C@@H]1CCCc2ccccc21 328991690 SNAVEWWUPKLWPO-CQSZACIVSA-N 297.358 3.524 30 20 CHED C=CCSCC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 193709126 WXBTZQIKWMOSMZ-LBPRGKRZSA-N 281.396 3.654 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CSC[C@@H]1C 510247968 AKLQADWDXGBGPB-DZGCQCFKSA-N 296.480 3.516 30 20 CHED CC(C)CN(C(=O)[C@]12CCC[C@H]1C2)c1ccc(C#N)cc1 421438108 QJPJRZUFIPFMBY-YJBOKZPZSA-N 282.387 3.737 30 20 CHED N#Cc1ccnc(Oc2c(F)cccc2F)c1Cl 336476044 MBUBWWOEMPQJRV-UHFFFAOYSA-N 266.634 3.677 30 20 CHED CC(C)(CCC#N)COC(=O)CCc1c[nH]c2ccccc12 195094083 VQORWAWONPRTEQ-UHFFFAOYSA-N 298.386 3.974 30 20 CHED N#CCc1cccc(C(=O)N(CC2CC2)c2ccccc2)c1 84235153 VPSYVGQDYFBDMZ-UHFFFAOYSA-N 290.366 3.809 30 20 CHED N#CCCNCc1ccc(Sc2ccccc2)cc1 425993655 MBSDMHIFLGYQNI-UHFFFAOYSA-N 268.385 3.841 30 20 CHED Cc1ccc(C(=O)Nc2scc(C)c2C#N)c(F)c1 335992378 VIIWKMNRVJPWBP-UHFFFAOYSA-N 274.320 3.628 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccoc2Cl)s1 192288603 HAVNPPAMCUDFFZ-UHFFFAOYSA-N 280.736 3.681 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(Cc3cc(C#N)n(C)c3)C2)cc1 426540647 QGNZNSGICWDNJE-YJBOKZPZSA-N 293.414 3.583 30 20 CHED CCC[C@H]1CCCCN1C(O)=Nc1cnn(CC(C)C)c1 330895324 RYFOUQYPPKTPBR-HNNXBMFYSA-N 292.427 3.739 30 20 CHED C=CCOCC(=O)N[C@@H](CC1CCCC1)c1ccccc1 337630419 VCKQPKLNKACCBP-KRWDZBQOSA-N 287.403 3.627 30 20 CHED Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(O)c1 336064347 VIDJHDNEKKYQQN-UHFFFAOYSA-N 294.354 3.754 30 20 CHED C=CCC[C@@H](N[C@H]1CCN(c2ccccc2F)C1)C1CC1 426292138 DIDIWTAXYYLXLT-DOTOQJQBSA-N 288.410 3.739 30 20 CHED N#Cc1cccc(Cn2ccc(-c3ccc(F)cc3)n2)c1 92313865 VLHYDDLANJOXLS-UHFFFAOYSA-N 277.302 3.609 30 20 CHED CC(C)c1cc(/C(O)=N/[C@]2(C)CC=CCC2)cc(O)n1 331348333 MWRJCVFQNVCOBX-MRXNPFEDSA-N 274.364 3.714 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)c2scnc2C(C)C)o1 331341953 SUQMKPOBDDYPNJ-SECBINFHSA-N 279.365 3.629 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)CC(=O)c1ccccc1 426911523 KUJUQRFNPDRQFT-AWEZNQCLSA-N 285.387 3.533 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)CCCC(C)C 96996376 CVEASCHDNSXXEN-AWEZNQCLSA-N 252.402 3.585 30 20 CHED CC(C)[C@@H](C)N(C)Cc1ccc(Br)cc1C#N 383347255 NBCLHTYDAVXRSC-LLVKDONJSA-N 295.224 3.797 30 20 CHED CCC(C)(C)N(C)Cc1ccc(N(C)CCC#N)cc1 93279513 IMDSCIWARRIIPH-UHFFFAOYSA-N 273.424 3.657 30 20 CHED C[C@H](N[C@H]1CCCc2cc(N)ccc21)c1cccc(C#N)c1 335479555 LPMZXCYYGBRCHT-DJJJIMSYSA-N 291.398 3.869 30 20 CHED Cc1oc2ccc(N=C(O)N[C@@H]3CCC[C@@H]3C#N)cc2c1C 330051301 NGKGOVSPJYLIIT-IUODEOHRSA-N 297.358 3.877 30 20 CHED C[C@H](S[C@@H]1CCCN=C1O)/C(O)=N/[C@@H]1CCCC[C@H]1C 330191448 NBUYAFPZELUHOQ-YVECIDJPSA-N 298.452 3.762 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CC[C@H](C)C(C)(C)C1 337766631 BXBZHRDPECVOMV-ZDUSSCGKSA-N 288.439 3.604 30 20 CHED C=CCc1cc(CN[C@H]2CCC[C@H]2C)cc(OC)c1OC 237244036 YCBSSPKGDHMBPX-CJNGLKHVSA-N 289.419 3.711 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@H](c2ccccc2)C1 437784825 DEEAAKFCCFCQCL-XIRDDKMYSA-N 286.419 3.977 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cc(F)c2ccccc2c1 334412911 VNRZPYTWIGVHQH-UHFFFAOYSA-N 284.334 3.601 30 20 CHED CC(=O)c1ccc(OCCCCC(C)(C)C#N)cc1 232566590 LKQNNRHYTNCWRE-UHFFFAOYSA-N 259.349 3.988 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)CC1 438938291 NXWDHLHPSXABMX-XJKCOSOUSA-N 264.413 3.647 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@H]2CCC[C@H](C)C2)no1 346257884 XWUDYHMLBLLWGQ-HEHGZKQESA-N 278.396 3.844 30 20 CHED C#Cc1cccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 246437649 LSBDPDOOSVWNED-UKPHBRMFSA-N 282.387 3.853 30 20 CHED CC1(CCNC(=O)Nc2ccc(C#N)cc2Cl)CC1 346890060 LQIRJCSRZVIBSC-UHFFFAOYSA-N 277.755 3.523 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)[C@@H](c2ccccc2)CO1 247500835 LSKNQZIEYAGZSO-DNVCBOLYSA-N 292.382 3.520 30 20 CHED C[C@H](CNCC(C)(C)CCC#N)c1ccc(F)cc1 344186219 DBTQGIXAKFXJFN-CYBMUJFWSA-N 262.372 3.849 30 20 CHED COc1ccc(CC(C)(C)NC[C@@H](C)CCC#N)cc1 602629365 NQHGWSYWPIXPQB-AWEZNQCLSA-N 274.408 3.546 30 20 CHED CC(C)CN(Cc1ccccc1F)c1ncccc1C#N 346381685 OIQQZTJFESEWDW-UHFFFAOYSA-N 283.350 3.755 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccccc1C(F)(F)F 343583613 SQNDNJINDSWIDK-SNVBAGLBSA-N 268.282 3.660 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1=C(C)CCC1 437363824 ICSOTVGXFRDANS-UHFFFAOYSA-N 261.390 3.763 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 439386049 KHIVUBKDDSYUJU-GFCCVEGCSA-N 291.351 3.688 30 20 CHED C=CCCC(=O)Nc1ccc(C(F)(F)F)c(C)c1 608476533 IANFTUGDTDQLHJ-UHFFFAOYSA-N 257.255 3.919 30 20 CHED C=CC1CCN(C(=O)c2ccccc2CSCC)CC1 345127913 HNVGVMOQOVYBCE-UHFFFAOYSA-N 289.444 3.978 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(OC)cc2C)c1 607807224 LDTJAOCYCDGRLZ-UHFFFAOYSA-N 297.354 3.821 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3ccc(F)cc3F)ccc21 255435364 LPDWZLKZNCCWKR-CLTKARDFSA-N 299.320 3.853 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1c(C)oc2ccccc12 435741242 IHARGHYALWFEFX-KSSFIOAISA-N 285.387 3.812 30 20 CHED CC(C)c1ncc2c(n1)C[C@H]1CC[C@H]2N1CCC(C)(C)C#N 528591118 PVIWOJKHWIEOTK-CZUORRHYSA-N 298.434 3.601 30 20 CHED COc1cc(N=Cc2cc(Cl)ccc2O)cc(OC)c1 255439271 SEGZFLDSIUTAHB-UHFFFAOYSA-N 291.734 3.813 30 20 CHED N#Cc1cc(-c2cccc(C3CCNCC3)c2)ccc1F 600782007 KDLSSULMUPJNMS-UHFFFAOYSA-N 280.346 3.831 30 20 CHED Cc1cccc(N(C)Cc2cc(C#N)ccc2F)c1C 603935590 OVBPERHJINZDJW-UHFFFAOYSA-N 268.335 3.951 30 20 CHED Cc1cc(C)c2cc(C(=O)NCC(C)(C)CCC#N)[nH]c2c1 345894869 XWEURILDYCKNJY-UHFFFAOYSA-N 297.402 3.845 30 20 CHED CC(C)(CCC#N)CNCc1ccc(Cl)c(F)c1 342287582 ATEBFNDHPRAZIH-UHFFFAOYSA-N 268.763 3.899 30 20 CHED Cc1cccc(COc2cccc(NC(=O)[C@@H](C)C#N)c2)c1 609921887 RFZKNLFWPPHBNY-AWEZNQCLSA-N 294.354 3.672 30 20 CHED N#CC1(CSCc2ncccc2Cl)CCC1 600634460 ZGBWXSSGDFCGSA-UHFFFAOYSA-N 252.770 3.662 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1ccc(Cl)s1 255237278 YZXRTBRFLHLVEH-PLNGDYQASA-N 288.759 3.945 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc2c(cc1Cl)CCC2 530021291 OIEVHDNSNMJWNY-UHFFFAOYSA-N 276.767 3.707 30 20 CHED CC[C@H](N[C@@H]1C[C@](C)(OC)C1(C)C)c1ccc(C#N)cc1 447561352 HYPKHMJZAXHSEW-JZXOWHBKSA-N 286.419 3.803 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N(C)CC#N 351956102 AEHQBKWFANWHJT-XOYHFGRZSA-N 276.424 3.601 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc2c(n1)CCCC2 446905613 UMNJGYPQDBUEGL-UONOGXRCSA-N 258.409 3.651 30 20 CHED Cc1nc(C)c(NC(=O)C[C@@H](CC#N)c2ccccc2)s1 356377860 MOXLCNKZBBIMPQ-CQSZACIVSA-N 299.399 3.786 30 20 CHED Cc1ccc(C(C)(C)CNc2cnccc2C#N)cc1 536705532 JNDRJRFLXFTADD-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CC(C)(C)OC(=O)CCCCN1CCCC(C)(C)[C@@H]1C#N 444719455 NBAMYZSIYQXUCR-AWEZNQCLSA-N 294.439 3.513 30 20 CHED Cc1cc(CN(C)Cc2ccc(F)cc2C#N)ccc1F 444734141 MBAQABSEUXKULT-UHFFFAOYSA-N 286.325 3.777 30 20 CHED Cc1cscc1-c1noc(CCc2ccc(C#N)cc2)n1 445622976 GRPVQPFBGPONLK-UHFFFAOYSA-N 295.367 3.763 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 264430244 KNJIBDVHENIADI-XWIAVFTESA-N 292.382 3.561 30 20 CHED C=CC[C@H]1N(Cc2noc(CCC)n2)CCCC1(C)C 444786807 PFEAPXNAQIWNBF-CYBMUJFWSA-N 277.412 3.589 30 20 CHED CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CCOCC1 539610071 OOHDPAVBOFGPPJ-PXAZEXFGSA-N 290.382 3.553 30 20 CHED N#Cc1ccc(SCCc2ccc3c(c2)OCCO3)cc1 359743405 CGWKSSWYQJSWKC-UHFFFAOYSA-N 297.379 3.664 30 20 CHED CC1(C#N)CCC(Nc2cnn(Cc3ccccc3)c2)CC1 449217932 CYLGRMJTHFYNFM-UHFFFAOYSA-N 294.402 3.816 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)[nH]1 269726400 WPUONDLDSMWQOX-HNNXBMFYSA-N 299.761 3.517 30 20 CHED C[C@@H]1CCN(Cc2cc(C#N)cs2)CC12CCC2 354916680 HWJGIJBDXFRZQD-GFCCVEGCSA-N 260.406 3.632 30 20 CHED Cc1cc(C)c2oc(NC(=O)c3ccc(C#N)s3)nc2c1 610661931 VASFKQVCKNSAKD-UHFFFAOYSA-N 297.339 3.630 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)[C@H](C)C1CCC1 350740890 JDGHLORVCJBUIN-QWHCGFSZSA-N 276.428 3.602 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](c1ccccc1)C(F)(F)F 264002755 LMWNZTPFPWFPGQ-CQSZACIVSA-N 297.320 3.923 30 20 CHED C=C[C@@H](S[C@@H](C)c1ccc(Cl)cc1)C(=O)OC 619689188 RISVXYPEXDYSIP-JOYOIKCWSA-N 270.781 3.862 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)CC2CC2)c1 264000109 RNJFCNHBBWHFNO-UHFFFAOYSA-N 279.339 3.594 30 20 CHED C/C=C\c1ccc(NC(=O)N2CCC(F)(C#N)CC2)cc1 353249940 AGZMLGXCRUWMFL-IHWYPQMZSA-N 287.338 3.579 30 20 CHED CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(C#N)[nH]2)cc1 611030304 CPAKFOCMWILEPD-UHFFFAOYSA-N 295.386 3.675 30 20 CHED C=CCC[C@H](N[C@@H]1CCCSC1)c1ccco1 353519937 NYHYWLGXLCCJJU-OLZOCXBDSA-N 251.395 3.772 30 20 CHED C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(CCCC(C)(C)C#N)C1 350160727 NTRLTCMUNCJJOQ-ZACQAIPSSA-N 291.483 3.654 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](C)C2(CCC2)C1 614403409 WZFBRIFHVZLDFM-HNNXBMFYSA-N 268.404 3.879 30 20 CHED C[C@@H](NCCCc1cccs1)c1ccc(C#N)cc1 537305455 UFMGQMWETLLDDB-CYBMUJFWSA-N 270.401 3.903 30 20 CHED CC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)C1CCCC1 454345178 IYWXDUSFCAYTGC-DYVFJYSZSA-N 299.418 3.887 30 20 CHED C=C(C)[C@H](CC(=O)Nc1nc(C(C)C)c(C)s1)OCC 617247016 XZMQSMNQLWEISC-LBPRGKRZSA-N 296.436 3.885 30 20 CHED C=CCC1(NC(=O)c2ccc(C(C)=O)cc2)CCCC1 619115113 VQNOEZURRGZSRU-UHFFFAOYSA-N 271.360 3.508 30 20 CHED N#C[C@@H]1CC[C@H](NC2(Cc3cccc(Cl)c3)CC2)C1 453364163 LRGJNZKJRSYPNO-HIFRSBDPSA-N 274.795 3.697 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc(Cl)cc2Cl)no1 453181278 RLUSCYIQUWOBKQ-FUXBKTLASA-N 294.141 3.845 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCc1cscn1 360646098 HCLDBGHGERBJNG-KRWDZBQOSA-N 297.427 3.615 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)c2cccc(C#N)c2)C1(C)C 610364627 SGKNNQLYRLMYLD-IAOVAPTHSA-N 296.414 3.974 30 20 CHED COCc1ccc([C@H]2CCCN2C[C@H](C)CCC#N)o1 619568589 BRWVZEVCMIDVLG-UKRRQHHQSA-N 276.380 3.503 30 20 CHED C=C(C)CCSc1nnc(Cc2cccs2)o1 274782896 YKMHJQROBWJTMH-UHFFFAOYSA-N 266.391 3.780 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)Nc2ccccc2)C1 617783922 JSMOQJPXBUUIPL-NVXWUHKLSA-N 286.419 3.692 30 20 CHED C[C@H](CC#N)Sc1ccccc1NCC[C@H]1CCOC1 453086875 MKOOKOFSSZIRJS-KGLIPLIRSA-N 290.432 3.919 30 20 CHED C=CCOc1cccc(CNCC[C@H]2CCO[C@H](C)C2)c1 544167072 ZQMZEFXXGVJRCZ-CVEARBPZSA-N 289.419 3.546 30 20 CHED C=CCC1(C(=O)NCc2ccnc(C)c2)CCCCC1 452414247 YQVNAEPPXGGKIT-UHFFFAOYSA-N 272.392 3.533 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(CCC)on1 451329027 WJRCFEQTMXRKFX-UHFFFAOYSA-N 298.386 3.846 30 20 CHED C=C(C)CCNC(=O)NCc1cc2ccccc2s1 454390568 VWCNSWYRZVLUAM-UHFFFAOYSA-N 274.389 3.667 30 20 CHED CCN(Cc1ccc(Cl)s1)[C@H](C)CCC#N 276290753 HTEIANBAFGFIQN-SNVBAGLBSA-N 256.802 3.916 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 454951367 ZGKLHXYQZMVXIH-UHFFFAOYSA-N 291.351 3.545 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 620858255 BMLBSHCBTNTXHR-NEPJUHHUSA-N 293.357 3.929 30 20 CHED C=CCN[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 540379307 NGWXFPVURMBNPC-GOSISDBHSA-N 285.362 3.894 30 20 CHED C=C(C)CN1CCC(NCc2ccc(CCC)s2)CC1 621334896 VHZGUXUBWMJDKZ-UHFFFAOYSA-N 292.492 3.831 30 20 CHED C=CC[C@H](CC)NC(=O)N1Cc2ccccc2C[C@H]1CC 466366389 GZVHUWSILWMOTA-DLBZAZTESA-N 286.419 3.888 30 20 CHED C=CC[C@H](CO)CN[C@H](c1ccc(C)o1)C1CCCC1 541776886 NTCBLVVVZUQWDY-YOEHRIQHSA-N 277.408 3.594 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)CC(=O)c1cccs1 271190712 VXSDMMFAKQHGJM-LBPRGKRZSA-N 291.416 3.594 30 20 CHED CC[C@@H](CC#N)Nc1ncc(C(F)(F)F)cc1Cl 273809742 ARJMKGQJFDDUFQ-QMMMGPOBSA-N 277.677 3.858 30 20 CHED C=C[C@H](C)NC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 465117552 HUPBBTWRFRPUGP-XPYUAMARSA-N 283.415 3.726 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC[C@H](c3cccnc3)C2)c1 374294512 KNNLODBZHLWGHU-PKOBYXMFSA-N 291.398 3.769 30 20 CHED Cc1cccc(OCCCC2(C#N)CCOCC2)c1F 281507640 YNWIEQFLARJRES-UHFFFAOYSA-N 277.339 3.614 30 20 CHED C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(C#N)c(F)c1 287329156 MHNGDKQFGPVCST-AMIZOPFISA-N 286.272 3.689 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@H]1CC[C@@H](C)C1 468751745 ACJVLEPVEIGRDZ-CABCVRRESA-N 287.403 3.694 30 20 CHED CC(C)(C#N)CCCCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 377784834 PXFASWWIHNJGCP-HZPDHXFCSA-N 290.451 3.740 30 20 CHED CCc1cccc(C)c1NC(=O)c1cc(C#N)oc1C 280769488 OECXWASWHABBTP-UHFFFAOYSA-N 268.316 3.583 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(F)(F)F 289827019 URRSTSWLMBCDAL-SECBINFHSA-N 299.296 3.560 30 20 CHED CCCC[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 282353552 AIKFDCZWAIGBHF-CQSZACIVSA-N 284.403 3.876 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCc2cccc(Br)c2C1 555552728 SITWVRSEPXUWFL-DGCLKSJQSA-N 294.236 3.861 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)Cc1ccc(C#N)cc1 283697126 VBEFYPOAAVWOQX-AWEZNQCLSA-N 284.403 3.528 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OC)c(Cl)c1 473491909 NKUOWWIAJFMZMN-UHFFFAOYSA-N 282.771 3.826 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2ccc(CC#N)cc2)CC1(C)C 292629065 LVKCHAHNASKTBJ-HNNXBMFYSA-N 285.391 3.651 30 20 CHED N#Cc1cccc(Sc2c(F)cccc2[N+](=O)[O-])c1 553110434 ZWRAGNORTCLIOS-UHFFFAOYSA-N 274.276 3.757 30 20 CHED Cc1cccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1F 550748766 YHPLFZCFSACLMH-KRWDZBQOSA-N 288.366 3.727 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NN[C@@H]2CCSC2)C1 808003543 OTOXYDPWGDOKOE-HZPDHXFCSA-N 274.433 3.579 30 20 CHED N#Cc1cc(F)cc(OC/C=C\c2ccccc2)c1 387587903 VZXNRZGIFJPHRB-DAXSKMNVSA-N 253.276 3.790 30 20 CHED C=CC(C)(C)C(=O)NCc1cccc(C(F)(F)F)c1 294268570 GQQYLURSIFZWLA-UHFFFAOYSA-N 271.282 3.534 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cccc(N(C)C(=O)NCC)c1 475509296 FXWQQGISTBFRJP-KGLIPLIRSA-N 289.423 3.865 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1nccn1-c1ccccc1 803074256 LMTOERASSUFARM-OAHLLOKOSA-N 296.370 3.670 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(F)c2F)n1 568028723 CSHRGWYRSININS-UHFFFAOYSA-N 264.275 3.869 30 20 CHED C=CC(C)(C)C(=O)N(C)[C@@H](CC)c1cccc(OC)c1 297764063 MKRUHNKOMILSNW-HNNXBMFYSA-N 275.392 3.817 30 20 CHED COCCOCc1ccc(C=NOC2CCCCC2)cc1 807983640 SNYQAZMNBWPGCT-UHFFFAOYSA-N 291.391 3.533 30 20 CHED CSc1ccc([C@H](C)OC(=O)c2cnccc2C#N)cc1 808798086 LNLGVVVCOWONMI-NSHDSACASA-N 298.367 3.593 30 20 CHED C=CCCCCNC(=O)N(Cc1ccccc1F)C1CC1 474088168 INLIZCVPUXLZES-UHFFFAOYSA-N 290.382 3.856 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2cc3c(cc2Cl)OCCO3)C1 295861140 BYJZVRLCSQNSNN-NXEZZACHSA-N 295.791 3.896 30 20 CHED Cc1cc(OC(=O)[C@H](C)C(F)(F)F)c(C)c(C)c1C#N 809036407 XGHZXADNVOALMZ-JTQLQIEISA-N 285.265 3.587 30 20 CHED C=C(C)CCOC(=O)c1cccc2ccc(C)nc12 803364260 OJZOCKHCAPKVQH-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 293555337 FLWUVPHOBXSQQC-JSGCOSHPSA-N 279.330 3.808 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(F)F)cc2)no1 806556366 RVZIYVSZMJWJQV-DAXSKMNVSA-N 263.243 3.817 30 20 CHED C=CCCOC(=O)[C@@H](C)Cc1cncc2ccccc12 805679771 WKEDWPAANICZQP-ZDUSSCGKSA-N 269.344 3.533 30 20 CHED CC(Cc1ccccc1F)=NNc1nccnc1C1CCC1 807990606 AQUOHWKYCVCHGN-UHFFFAOYSA-N 298.365 3.914 30 20 CHED C=CCOCCN[C@@H](c1cccc(F)c1)C(C)(C)C 564429730 WAOFQZHDANKSSS-HNNXBMFYSA-N 265.372 3.705 30 20 CHED FC(F)(F)c1ccc(NN=CCCC2CC2)nc1 807946158 NMXUULVYWSVLKL-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C=C(C)CN1CCC(NCc2cc(F)cc(Cl)c2)CC1 485718911 KTZNGTLJUVMEGG-UHFFFAOYSA-N 296.817 3.609 30 20 CHED CCC(=NNCC(C)(C)CO)C12CC3CC(CC(C3)C1)C2 811648535 UITRBABTCTZAEY-UHFFFAOYSA-N 292.467 3.577 30 20 CHED N#Cc1ccc(N2CCC(c3cccc(Cl)c3)CC2)nc1 480779036 ZWIYWMSHHUFNIU-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C=CCCCS(=O)(=O)N1CCCC[C@@H]1c1ccccc1 489633624 ABZDBGZXOQLSPX-MRXNPFEDSA-N 293.432 3.510 30 20 CHED CC1(C)CC(=NOC/C=C\Cl)c2sccc2O1 814934682 XZZWDMBPWKJMLY-GSUJTSEKSA-N 271.769 3.782 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](C)CC1CCCCC1 810704571 RQKRMZJXLQAZJW-HNNXBMFYSA-N 283.415 3.686 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 575442302 TWQKRCPUVZASLE-UNEWFSDZSA-N 274.408 3.567 30 20 CHED C#Cc1cccc(NC(=O)c2nsc3ccc(C)cc23)c1 814862094 FWLBDLANLOOIIP-UHFFFAOYSA-N 292.363 3.838 30 20 CHED CCCC[C@H](C)N(C)Cc1ccc(O[C@H](C)C#N)cc1 811520326 NAAHLQJJHSIWNY-LSDHHAIUSA-N 274.408 3.988 30 20 CHED C[C@@H](NN=C[C@@H]1CCCC(C)(C)C1)c1ccncc1 819816909 RTMACOZPYOPKCE-ZIAGYGMSSA-N 259.397 3.934 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H](C)Cc1ccc(OCC)cc1 654613488 BTDOYDXOHGQJAK-AWEZNQCLSA-N 289.419 3.592 30 20 CHED N#C[C@@H]1CCCC(=NNc2ccc(Cl)cc2[N+](=O)[O-])C1 814809567 GOIMCKGODSAKHJ-SECBINFHSA-N 292.726 3.730 30 20 CHED C=CC[C@H](C(=O)NCCC=C(C)C)c1ccccc1 481005835 OGKWAPPMDBQNDL-INIZCTEOSA-N 257.377 3.819 30 20 CHED Cc1nc(N[C@H]2COCc3ccccc32)c(Cl)cc1C#N 574261461 DRSDEZHQXKCIHX-HNNXBMFYSA-N 299.761 3.599 30 20 CHED CCCCc1ccc(NC(=O)C=NOC2CCC2)cc1 814263551 NSZMSQUTWGFMMH-UHFFFAOYSA-N 274.364 3.523 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)c1ccccc1F 488874243 DGNYPECUOMKFJW-ZIAGYGMSSA-N 275.367 3.886 30 20 CHED C=C[C@@H](C)N[C@@H](c1cccc(OC(C)C)c1)C(F)F 655722780 IHZIVKJCZWABOB-RISCZKNCSA-N 269.335 3.944 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc([C@@H]2CCCO2)no1 577232244 YPQJMHWKDVCZOB-KBPBESRZSA-N 270.332 3.629 30 20 CHED C[C@H]1CCN([C@H](C)c2ccc(C#N)cc2)CC1(F)F 494260361 UVNUWLHDOREYQD-NWDGAFQWSA-N 264.319 3.596 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1c(Cl)ccc(Cl)c1Cl 839365187 BBMIWVLMSJDPDI-LURJTMIESA-N 291.565 3.631 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc3ccccc3c2)C1 823967633 VJFMUZHYDDMRIM-SWLSCSKDSA-N 279.343 3.654 30 20 CHED C=CCCOC(=O)/C=C(\C)c1ccccc1Cl 727630937 QYBRAZPSCWVRQO-ZHACJKMWSA-N 250.725 3.863 30 20 CHED C=CCOCC(=O)O[C@@H](C)c1cccc2ccccc12 729759480 WSBROGNMMYHUSK-ZDUSSCGKSA-N 270.328 3.647 30 20 CHED C=CCCOCCCCC(=O)Nc1nc(C(C)(C)C)co1 581832421 IEQOLZVLMZGBAK-UHFFFAOYSA-N 294.395 3.674 30 20 CHED C#CC[C@H](NCc1ccc(C)cc1OC)c1ccccc1 824037564 SZRNOPSXCANIHF-SFHVURJKSA-N 279.383 3.858 30 20 CHED CCC(C)=NNC(=S)Nc1ccc(OC(C)C)cc1 727257958 MFTHNHOCQTUBIK-UHFFFAOYSA-N 279.409 3.546 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1cncn1C(C)C)C2=O 901459864 ULQMNHDLDSTEGD-VGOFMYFVSA-N 296.370 3.740 30 20 CHED C=CC[C@@H](NC(=O)CC1CCCCC1)c1ccncc1 734235120 FFMAFGFKYOEYFV-MRXNPFEDSA-N 272.392 3.785 30 20 CHED C=C[C@@H](CC)Cc1nc(C(C)(C)c2ccc(C)cn2)no1 904109911 RRUHFUVRNPECMP-ZDUSSCGKSA-N 285.391 3.854 30 20 CHED Cc1ccc(C=NNc2ncccc2C(F)(F)F)cc1F 731486651 RZGBJEFPPZOJNY-UHFFFAOYSA-N 297.255 3.994 30 20 CHED C=CCCOC(=O)C(C)(C)Oc1cccc(Cl)c1 733052270 HQMKGROJNMZHAM-UHFFFAOYSA-N 268.740 3.617 30 20 CHED N#Cc1ncccc1NC[C@H]1CCCC[C@@H]1C(F)(F)F 589581575 CVGWSCLKNCFCRL-MNOVXSKESA-N 283.297 3.734 30 20 CHED C/C(Cl)=C\C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 900633968 GZXNMMKUCHZONK-CFRMROPGSA-N 290.794 3.808 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CC(C)(C)C#N 499230278 RUQRVYMGVRAEQQ-MRXNPFEDSA-N 286.419 3.714 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)N1CCC(CC#N)CC1 584092662 VVTOTRRMHDMNFP-CQSZACIVSA-N 268.404 3.862 30 20 CHED CC(C)Oc1ccccc1C(=O)OCc1ccccc1C#N 730048598 CTWWYRHXQTUFQU-UHFFFAOYSA-N 295.338 3.702 30 20 CHED CCOc1ccccc1C=NOCc1cccc(C)c1 836296562 SLSOPBSDPXFUTC-UHFFFAOYSA-N 269.344 3.944 30 20 CHED C=C(C)CNC(=S)N1CCc2sccc2[C@H]1CC 730595132 SMNRQVKPSQNIRS-GFCCVEGCSA-N 280.462 3.508 30 20 CHED C=C(C)Cn1c(C)nnc1N1Cc2ccccc2[C@H]1CC 909229587 OVONJVLEHWLPPV-MRXNPFEDSA-N 282.391 3.634 30 20 CHED C#CCC[C@@H](C)OC(=O)CSc1ccc(OCC)cc1 839034950 SUNSKMUWIDHKJZ-CYBMUJFWSA-N 292.400 3.523 30 20 CHED C=CCN(C(=O)Nc1cccc(N(C)C(C)C)c1)C(C)C 731755048 UMAJJKYEEKMZMG-UHFFFAOYSA-N 289.423 3.960 30 20 CHED CC[C@@H](NCc1ccc(C)nc1)c1cccc(C#N)c1 902750375 GLBUWPSCFSYTGE-QGZVFWFLSA-N 265.360 3.503 30 20 CHED CC[C@@H](N[C@H](CC)C1CCOCC1)c1cccc(C#N)c1 902829981 IILVFJFXUCIXRS-QZTJIDSGSA-N 286.419 3.804 30 20 CHED CC[C@H](NC(=O)C#CC(C)(C)C)c1cc(F)ccc1F 837431519 OCGWYNQXTSADEU-AWEZNQCLSA-N 279.330 3.582 30 20 CHED Cc1ccc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s1 830043453 WGAXMQPCNNZCNV-RISCZKNCSA-N 296.461 3.592 30 20 CHED C=CCCCCCNc1ccccc1CN1CCOCC1 580275463 XXKFCCVYYIFGSE-UHFFFAOYSA-N 288.435 3.677 30 20 CHED CCC(CC)(NC(=O)C#CC1CC1)c1ccc(Cl)cc1 837385487 AUJGROFRPWZKEH-UHFFFAOYSA-N 289.806 3.885 30 20 CHED CC(C)Cc1ncc(CN2CCCC(C)(C)[C@@H]2C#N)s1 584092995 OEJGLHHLVPHMLK-AWEZNQCLSA-N 291.464 3.856 30 20 CHED Cc1nc(/C=C2\CCc3ccc(Cl)cc3C2=O)[nH]c1C 901491775 VWPNFYWICBWYIG-KPKJPENVSA-N 286.762 3.892 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(C(=O)C#CC(C)(C)C)C1 837439780 GNGHOIJBXBPSAU-XJKSGUPXSA-N 287.378 3.785 30 20 CHED FC(F)(F)c1ccc(CON=CCCc2cnoc2)cc1 834965853 IFLHQDFKXJGQLD-UHFFFAOYSA-N 298.264 3.829 30 20 CHED COc1cccc(C(C)=NNc2cc(F)c(F)cc2F)c1 734302914 VBTYCQYZNLXDCK-UHFFFAOYSA-N 294.276 3.949 30 20 CHED c1ccc([C@H]2CCCCC2=NNc2ccncn2)cc1 835000988 CIEKRCXSKPBFIK-CQSZACIVSA-N 266.348 3.602 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1ccc(C(C)(C)C)cc1 917555052 JIMPYBWNROTECF-UHFFFAOYSA-N 296.374 3.988 30 20 CHED CC(=NNc1nc2ccccc2n1C)C1CCCC1 733076698 VTMVDCQDQKYOMU-UHFFFAOYSA-N 256.353 3.551 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](CC)C1CCCCC1)OCC 677302960 JBEDZEGNODQZHB-CVEARBPZSA-N 281.440 3.833 30 20 CHED C=CCN(C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 678495850 FFPNGAJYCFUTAO-WFASDCNBSA-N 273.376 3.513 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)NC1(C#N)CCCCC1 599244686 LGELYBHCJNNFQX-HNNXBMFYSA-N 284.403 3.516 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)O[C@@H](C#N)C1CCCCC1 835341239 HFFJFBBUNYIDAQ-PWSUYJOCSA-N 291.313 3.981 30 20 CHED Cc1cccc2c1C/C(=C\c1cc(F)c(O)c(F)c1)C2=O 749892970 VZTLFODIJKAGSJ-VZUCSPMQSA-N 286.277 3.801 30 20 CHED C[C@H](C#N)N(Cc1cccc(CN2CCCCC2)c1)C1CC1 595711352 ZFBTWMYYXIJMSF-MRXNPFEDSA-N 297.446 3.549 30 20 CHED CN(Cc1ccc(C#N)cc1Br)C(C)(C)C 592180403 RKSSGMGDAFCGAQ-UHFFFAOYSA-N 281.197 3.551 30 20 CHED Cc1sc(NC(=O)c2ccc(CC#N)cc2)nc1C(C)C 597893866 IZLNZKXCGDGICS-UHFFFAOYSA-N 299.399 3.893 30 20 CHED Cc1ccccc1N(C)C(=O)CC1(C#N)CCCCC1 598895390 JKMQYQKRQNMRBA-UHFFFAOYSA-N 270.376 3.822 30 20 CHED CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1CCC1CCCC1 598593101 PVSQILKKNGZQIY-DLBZAZTESA-N 292.467 3.722 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)[C@H](C)CSc1ccccc1 593219774 YAMMENUDRHLTLY-CZUORRHYSA-N 290.432 3.565 30 20 CHED CCC[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)OCC 599059689 JXWPGYPESXTTNE-GXTWGEPZSA-N 278.371 3.553 30 20 CHED CC1(C)CC[C@H](CSCCc2ccc(C#N)cc2)O1 596383719 FWMKPQPRAZNYLG-OAHLLOKOSA-N 275.417 3.792 30 20 CHED Cc1cc(N(C)C)ccc1CNc1cccc(CC#N)c1 840951631 CTHQWMOYMJKTAL-UHFFFAOYSA-N 279.387 3.739 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1CCO[C@H](c2ccccc2)C1 596220142 WWKBQZOYXLHOBY-WBVHZDCISA-N 293.370 3.594 30 20 CHED Cc1ccc(N(C)C(=O)CCc2ccc(C#N)cc2)cc1C 917803985 BCWOWFLKYRLVLR-UHFFFAOYSA-N 292.382 3.771 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)CCCCCC#N 590894129 RMWFDZZFWYNRJV-UKRRQHHQSA-N 250.386 3.545 30 20 CHED C=CCCSCCNC(=O)Nc1cccc(CC)c1 596636835 WFHFHCZWUQRRKP-UHFFFAOYSA-N 278.421 3.680 30 20 CHED CCc1nc(C(C)C)ccc1CN1CCC[C@@H](CC#N)C1 595622474 BGLIUTWBYOHQOJ-HNNXBMFYSA-N 285.435 3.893 30 20 CHED C=CCOc1ccc(OC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 742861831 HLYADOVYXVLSLS-XEZPLFJOSA-N 272.344 3.593 30 20 CHED N#CC1(Cc2nc(CCc3ccccc3)no2)CCCCC1 594731839 IHXMODCSQPUCRF-UHFFFAOYSA-N 295.386 3.871 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(OCC3CC3)cc2)cc1 919971978 TWWOCHMGEHEUJD-UHFFFAOYSA-N 293.322 3.566 30 20 CHED C[C@@H]1CCCC(=NNC(=S)N[C@H]2CCCC[C@H]2C)C1 916277801 SQGCDSHSCNLHCY-BZPMIXESSA-N 281.469 3.595 30 20 CHED C=CCCCOC(=O)c1cc2c(C(C)C)nn(C)c2s1 745532779 DGBIKDKAUPRLHA-UHFFFAOYSA-N 292.404 3.881 30 20 CHED Cc1cc(/C=C2\Oc3ccccc3C2=O)ccc1F 742437958 YBEHLCJPEFWHHQ-DHDCSXOGSA-N 254.260 3.750 30 20 CHED C=C[C@@H](CC(=O)OCC[C@H](C)C(C)=O)c1ccccc1 849748739 KILSQLBXZPCGNC-ZFWWWQNUSA-N 274.360 3.505 30 20 CHED N#C[C@H](c1ccccc1)n1ccnc1[C@H](O)C1CCCCC1 849951348 MNFVUJPPZWFIQH-IAGOWNOFSA-N 295.386 3.610 30 20 CHED C#CC[C@@H](NC(=O)/C=C\C1CCCC1)c1ccccc1 843572668 XBLIIYVZCXAGEN-LKBMAGLMSA-N 267.372 3.614 30 20 CHED CC[C@H](C)[C@@H](C(=O)N(C)[C@@H](C#N)CC)c1ccccc1 594098329 ULTTVYGXWZTMCP-NUEKZKHPSA-N 272.392 3.577 30 20 CHED Cc1ccc(NC(=S)N2CCC[C@@H](CC#N)C2)cc1C 849272048 ZYNMXONYEQXVFM-AWEZNQCLSA-N 287.432 3.626 30 20 CHED C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCCO1 594500794 SZXCPUQXRUWKCI-PBHICJAKSA-N 286.419 3.535 30 20 CHED CC1(C)CCCN(Cc2cc(O)ccc2Cl)[C@H]1C#N 599386071 PKBZEKOUKUDCTO-AWEZNQCLSA-N 278.783 3.560 30 20 CHED Cc1cc2oc(=O)cc(CSCCC#N)c2cc1C 840211464 CRTUEUPSJVWUQD-UHFFFAOYSA-N 273.357 3.557 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1cc(C)c(F)c(C)c1 741449205 LMXWTUXMZFKZTD-UHFFFAOYSA-N 286.354 3.685 30 20 CHED CCc1[nH]ccc1C(=O)OCCC1(C#N)CCCCC1 840566511 OHNPTLGOTQBYCD-UHFFFAOYSA-N 274.364 3.598 30 20 CHED CC(=NNCCC(F)(F)F)[C@@H]1C[C@H]2C=C[C@H]1CC2 842531439 GKYAIEGNLIJUJF-SRVKXCTJSA-N 260.303 3.507 30 20 CHED C=C(C)CONC(=O)Nc1cc(Cl)c(C)cc1Cl 844572055 MGCMLSJGHSIZJA-UHFFFAOYSA-N 289.162 3.931 30 20 CHED CC1(C)CCc2cc(CNCC3(C#N)CCC3)ccc2O1 841895645 ANZIBSNVVWPVPV-UHFFFAOYSA-N 284.403 3.574 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Oc1cccc(OCC#N)c1 841343041 TUUURPPJHCUCFQ-KGLIPLIRSA-N 287.359 3.711 30 20 CHED C[C@H](C#N)OCCOc1ccc(C2CC2)cc1Cl 842060856 USJUCHHAFLJDCH-SNVBAGLBSA-N 265.740 3.525 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccccc1 920063048 VKFBKVFVORHEQP-MDZDMXLPSA-N 254.333 3.603 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H](c1ccccc1)[C@H]1CCCO1 924844888 CAHVCQXXAGHBGR-OIISXLGYSA-N 286.419 3.825 30 20 CHED CCCCCC[C@H](C)NN=Cc1c(OC)cccc1OC 755754969 VMQXDYDKYQBIOD-AWEZNQCLSA-N 292.423 3.986 30 20 CHED CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@@H](C#N)C1 928220219 GKRAXAGRBCWYNC-KRWDZBQOSA-N 298.430 3.798 30 20 CHED COc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1F 921264341 RQKMZTAIHRMURJ-RIYZIHGNSA-N 282.314 3.965 30 20 CHED Cc1ccnc(NN=Cc2cccc(Br)c2)c1 755907115 UCMTUNVNEXJBJY-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(OCC#N)c1 920438780 ZZWNDEONMXUYJQ-ZIAGYGMSSA-N 286.375 3.744 30 20 CHED O=C(O)c1ccc(/C=C2/Cc3c(Cl)cccc3C2=O)cc1 921263662 IJAFHTMJSARFRE-WQLSENKSSA-N 298.725 3.861 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)ccn2)C12CCCCC2 755902752 NUNLGFJCVQPTKG-HNNXBMFYSA-N 287.407 3.917 30 20 CHED C=C(C)CN(C)C[C@H](C)Cc1ccc(OC)c(F)c1 680676084 OJIAVEXUPMDLGA-CYBMUJFWSA-N 265.372 3.521 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1ccc(C#N)c(Cl)n1 752972630 BXEJTIDZEFZNLZ-NSHDSACASA-N 293.798 3.551 30 20 CHED N#CC1(CCOC(=O)[C@@]23CCC[C@@H]2C3)CCCCC1 924437991 OIULNWCDKOHKMA-CZUORRHYSA-N 261.365 3.584 30 20 CHED N#CC1(c2ccccc2-c2scc3c2OCCO3)CC1 854206549 XLAPTLPONBIAJA-UHFFFAOYSA-N 283.352 3.741 30 20 CHED O=C1/C(=C/c2ccc(O)c(F)c2)CCOc2ccccc21 755595384 YKDANHPGXVCPLT-FMIVXFBMSA-N 284.286 3.580 30 20 CHED CCOc1cccc(/C=N\C[C@H]2CC=CCC2)c1O 920990745 BCGDLWRVSHHCMI-IGWPVBGESA-N 259.349 3.566 30 20 CHED C(=NNCc1ccccc1)c1csc(-c2ccsc2)n1 920363868 IUHKAHDHHUGDGH-UHFFFAOYSA-N 299.424 3.995 30 20 CHED CCCCCCCNC(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 858114680 QFOZXTLZKKJONB-CHWSQXEVSA-N 290.398 3.890 30 20 CHED N#CCN(C(=O)CC[C@H]1CC1(Cl)Cl)c1ccccc1 857580976 HMBCZRINQMAGSR-NSHDSACASA-N 297.185 3.517 30 20 CHED C=C[C@H](C)NC(=S)Nc1ccc2ccccc2c1 756800863 ZLOIHFYZXFKDFS-NSHDSACASA-N 256.374 3.701 30 20 CHED N#Cc1ccsc1NC(=O)N(C1CCCCC1)C1CC1 931842673 KURWJSQYHOVPDB-UHFFFAOYSA-N 289.404 3.949 30 20 CHED CCCCCCCCNC(=O)NCc1ccc(C#N)cc1 754846852 HKDILGNFAPXUMP-UHFFFAOYSA-N 287.407 3.718 30 20 CHED Clc1cc(NN=C2CCC[C@@H]2c2ccccn2)ccn1 853394834 ADJKLBVIQPPSMD-GFCCVEGCSA-N 286.766 3.866 30 20 CHED CCC(=NNc1ncccc1[N+](=O)[O-])c1ccc(C)cc1 759205104 LCVQWQUUDAIDSA-UHFFFAOYSA-N 284.319 3.524 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccccc1C(F)(F)F 751517198 QFPXQWNVNUURPC-NSHDSACASA-N 286.297 3.920 30 20 CHED Cc1ccc2c(c1)CN(C(=O)Nc1sccc1C#N)CC2 931835004 KAUFOMYDYSSIPV-UHFFFAOYSA-N 297.383 3.518 30 20 CHED FC(F)(F)CON=Cc1ccc(-c2ccccc2)o1 764846734 OQIDBODCMHYFNW-UHFFFAOYSA-N 269.222 3.859 30 20 CHED C=CCOC(=O)CCCc1cccc(Br)c1 761059998 KSHGSHGOCMHGLR-UHFFFAOYSA-N 283.165 3.501 30 20 CHED Clc1ccc(NN=C2CCN3CCC[C@@H]23)cc1Cl 765572977 QOPODCBIBNPRFP-ZDUSSCGKSA-N 284.190 3.629 30 20 CHED N#Cc1cc(F)cc(OC(=O)OC2CCCCC2)c1 867273616 MOAIDLMTQLFLPD-UHFFFAOYSA-N 263.268 3.545 30 20 CHED COC(=O)CC1CCC(=NN[C@@H]2CCCCC2(C)C)CC1 863110272 NNGVAIPBVYYAML-AWKYBWMHSA-N 294.439 3.654 30 20 CHED C#CCC(C)(C)C(=O)OCC(=O)c1ccc2ccccc2c1 767652484 MBHHYALDTYBLHF-UHFFFAOYSA-N 294.350 3.615 30 20 CHED C=CCCC(=O)COC(=O)C[C@H](c1ccccc1)C(C)C 761404489 PQVXMEDMQOSLIY-KRWDZBQOSA-N 288.387 3.895 30 20 CHED CON=Cc1cn(Cc2ccccc2)c2ccccc12 767493154 XMONLHUZRQLWBE-UHFFFAOYSA-N 264.328 3.670 30 20 CHED CCc1noc(C)c1C(C)=NNc1c(C)cccc1F 769827564 FANICJYDVHDJCN-UHFFFAOYSA-N 275.327 3.829 30 20 CHED CC(C)CC1CCN(c2c(C#N)nnc3ccccc23)CC1 760496696 RYQUKZJTYDIWSG-UHFFFAOYSA-N 294.402 3.764 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1CCC[C@H]1C 769439095 ACUGGCBUTOLLET-GDBMZVCRSA-N 287.378 3.614 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H](F)c2ccccc2)cc1 769564535 WYPUBEJPJADSMY-QGZVFWFLSA-N 296.345 3.953 30 20 CHED Cc1ccc(C(=O)OCCCCC#N)cc1C(F)(F)F 860168761 FLKIQPSKXBERIW-UHFFFAOYSA-N 285.265 3.865 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1ccc(F)cc1C#N 761487757 FVSBOUCLSFSRNL-LLVKDONJSA-N 277.339 3.813 30 20 CHED CCCCCCCNC(=O)c1ccc(Cn2ccnc2)cc1 862360361 HKDBDTMYTONSLT-UHFFFAOYSA-N 299.418 3.632 30 20 CHED Cc1cc(OC(=O)[C@@H](C)Cc2ccccc2)ccc1C#N 765112218 BCOUDNQMVTYVJQ-AWEZNQCLSA-N 279.339 3.651 30 20 CHED Cc1nc2ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc2s1 764072278 UXIKOEBHHMTCHA-CYBMUJFWSA-N 288.372 3.700 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C/C(=C\C)CC 765491554 URARBXOSZWMHBP-PXUMVWBJSA-N 285.387 3.780 30 20 CHED N#Cc1ccsc1NC(=O)c1ncc(Cl)cc1Cl 1529951822 VYKFCXWCJCCDCI-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(C#N)c(C)c2)c1C 766488610 ADHGAHRYLMNUGY-VQHVLOKHSA-N 293.370 3.596 30 20 CHED Cc1cc(C)c(N)c(C(=O)OCCCCC(C)(C)C#N)c1 768675542 ZDWOKESUVOZMFG-UHFFFAOYSA-N 288.391 3.763 30 20 CHED CC(C)(CNc1cccc(OCC#N)c1)Oc1ccccc1 877169369 MZCKXBYRXKYTQN-UHFFFAOYSA-N 296.370 3.858 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NOC1CCCCC1 777458589 HHLBWZBFRWCQEX-UHFFFAOYSA-N 283.803 3.880 30 20 CHED C[C@@H](C#N)COC(=O)c1cc2c3ccccc3n(C)c2s1 770927415 HFOKAKRSSRNFEB-JTQLQIEISA-N 298.367 3.709 30 20 CHED CC(C)(C)c1ccc(NN=C2CCC23CCC3)nn1 1116914164 NMRXEYWWVJUNEJ-UHFFFAOYSA-N 258.369 3.506 30 20 CHED C#CCCCCNCc1cccc(C(=O)OC(C)(C)C)c1 778101441 LNWLLMCOYGNPJC-UHFFFAOYSA-N 287.403 3.535 30 20 CHED Cc1ccc(NC(=O)c2ccccc2CC#N)cc1C 58248151 HEKFUWFZPLHOLT-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CC(=O)[C@@](C#N)(CCN1CCCCCCC1)c1ccccc1 877902173 HMQWKOFXTZPIPM-IBGZPJMESA-N 298.430 3.693 30 20 CHED C#CCCCCC(=O)Nc1ccc(C(=O)C(F)(F)F)cc1 870748885 XTKKMGXDAKBKMV-UHFFFAOYSA-N 297.276 3.564 30 20 CHED C[C@@H](OC(=O)C#Cc1ccccc1)c1ccc(F)cc1F 773455335 YPEXGQHOHSSLHL-GFCCVEGCSA-N 286.277 3.621 30 20 CHED C#CCCCCC(=O)NCc1ccc(OC(C)(C)C)cc1 773283063 DNVWCZWCLQFXOM-UHFFFAOYSA-N 287.403 3.674 30 20 CHED N#Cc1ccc(CNN=CCSCc2ccccc2)cc1 774393898 KKMANFOSNDTGOF-UHFFFAOYSA-N 295.411 3.567 30 20 CHED C=C(C)CNC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 777835592 XRAKELNZGBYSPI-YRNVUSSQSA-N 283.293 3.801 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C/c1ccc(Cl)s1 776365220 VPDYIVAYJUYINC-GQCTYLIASA-N 283.780 3.898 30 20 CHED Cc1sc(Cl)nc1C(=O)O[C@H](CC#N)c1ccco1 1123370739 WGNMJZOFEOQHJX-SECBINFHSA-N 296.735 3.510 30 20 CHED O=C1/C(=C\c2nc3c(s2)CCCC3)Cc2ccccc21 776263847 SKGXETKLANFDFK-BENRWUELSA-N 281.380 3.844 30 20 CHED C#CCCCCCC(=O)NC1(c2nccs2)CCCC1 779947248 LJNPZMZZFCCBKH-UHFFFAOYSA-N 290.432 3.612 30 20 CHED Fc1cc(Cl)cc(C=NNCc2cc(F)ccc2F)c1 776724378 SIWWCKPQQZHDNX-UHFFFAOYSA-N 298.695 3.881 30 20 CHED CC(C)c1cccc(C(=O)O[C@@H](C#N)C2CCCCC2)n1 776394741 FXGRALXUNHGDFB-INIZCTEOSA-N 286.375 3.834 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)CC(C)C)cc1 774584938 KBAJCIBKMLXSHK-UHFFFAOYSA-N 289.375 3.681 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1126697546 CSIZJJXRMBKVOO-NJZAAPMLSA-N 270.376 3.878 30 20 CHED CCCC(=NOC1CCOCC1)C1CCCCC1 774429715 DMGIUYRUTYTJOQ-UHFFFAOYSA-N 253.386 3.918 30 20 CHED Cc1ccc(CCC=NNc2cccc([N+](=O)[O-])c2C)cn1 774385101 KPDBKLNPBAJNEW-UHFFFAOYSA-N 298.346 3.637 30 20 CHED CC(CCCC(F)(F)F)=NNc1nccnc1Cl 774384603 IZWYJEJWSZIYDT-UHFFFAOYSA-N 280.681 3.650 30 20 CHED C#CCCN(Cc1cc(Cl)cs1)CC(F)(F)F 787275748 RQFSUEKQGWNCAM-UHFFFAOYSA-N 281.730 3.789 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](CC=C)c1ccncc1 1123503826 ATEABGLJWBGHGI-IRXDYDNUSA-N 299.418 3.839 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3cccc(F)c3F)cn2c1 789148489 PXMZDPBZSYEMKW-VOTSOKGWSA-N 298.292 3.817 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H](C)CCC(C)(C)C 1123338281 ZQZWAUWQYZFZFT-QWHCGFSZSA-N 275.396 3.542 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-n2cccn2)cc1C 789283246 FZKWPOZNCNLDPN-UHFFFAOYSA-N 295.386 3.703 30 20 CHED Cc1cc(C)cc(NN=C2CCc3cc(O)ccc32)c1 780196738 IYNGGLDSDPEHJR-UHFFFAOYSA-N 266.344 3.771 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1ccc2[nH]ccc2c1 788265718 RIQGITMGJFEELI-UHFFFAOYSA-N 295.367 3.768 30 20 CHED CCCCOCC(=O)O[C@@H](c1cccs1)[C@@H](C#N)CC 1123009319 KCLZSYOFPFRIFW-IUODEOHRSA-N 295.404 3.699 30 20 CHED C=C1CC(c2noc(C3(c4ccccc4OC)CC3)n2)C1 896882482 LWMMWTNHCHJLTD-UHFFFAOYSA-N 282.343 3.592 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1ccc(OC)c(F)c1 782416716 AXHSYPWPTUSHMG-GFCCVEGCSA-N 294.395 3.572 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1ccc2c(c1)CCCO2 899386229 LEAJLJOJYJWBSS-BQYQJAHWSA-N 297.354 3.767 30 20 CHED C=C1CC(c2noc(-c3ncsc3C(C)C)n2)C1 896876075 BGLHICPKPHDJCZ-UHFFFAOYSA-N 261.350 3.750 30 20 CHED C=C1CC(c2noc(CSc3ccccc3OC)n2)C1 896885124 XKJLUTRMTSVXQI-UHFFFAOYSA-N 288.372 3.804 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(Cl)cc1C#N 785769019 NYQNENJKOARVEY-HNNXBMFYSA-N 277.751 3.857 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNc1ncncc1Cl 780278444 AOLAAXAQZQYEAZ-VHSXEESVSA-N 266.776 3.744 30 20 CHED CCN(Cc1cn(CC)nc1-c1ccccc1)C[C@@H](C)C#N 893994451 GMRIFGNXKJKXEQ-HNNXBMFYSA-N 296.418 3.552 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)c(OC(F)F)c(C)c1 798550525 AURXSASKEHWBJT-CYBMUJFWSA-N 297.345 3.989 30 20 CHED Clc1cccc(NN=CC2=Cc3ccccc3OC2)n1 793174615 LLHYTWUNQQKLNH-UHFFFAOYSA-N 285.734 3.609 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccoc2C(=O)OC)s1 797156348 GZBRZIDGNKTELW-XQRVVYSFSA-N 290.340 3.586 30 20 CHED CCC(=NNc1c(C)cccc1CC)c1ccn(C)n1 799493095 WQGMGKHZHCLWKG-UHFFFAOYSA-N 270.380 3.517 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)/C=C\c2ccccc2C#N)C1 799656074 DKZQDALOVFMCOJ-MDOURQGTSA-N 269.344 3.693 30 20 CHED FC(F)(F)CCNN=C1CCC[C@@H]1Cc1ccccc1 794553813 ZXAZEUJFPYLVHQ-CYBMUJFWSA-N 284.325 3.927 30 20 CHED CC(=NNC1CCCCC1)c1ccnn1-c1ccccc1 799112927 ALUCZAYNHHNATN-UHFFFAOYSA-N 282.391 3.519 30 20 CHED Cc1cc(C=NNc2cccc(F)n2)cc2cccnc12 795006238 KXINZUVAXXMEBY-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C[C@@H](Nc1cccc2c1CCO2)c1ccc(C#N)c(F)c1 794836366 NTHQXVLIVLXMRZ-LLVKDONJSA-N 282.318 3.805 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(N2CCCC2=O)cc1 798936406 GKTDHVLMJZYOKJ-GDBMZVCRSA-N 286.419 3.819 30 20 CHED Cc1cc(C)n(N=CCC2CCCCCC2)c(=O)c1C#N 799106693 MTILUDHYGWNWKH-UHFFFAOYSA-N 285.391 3.531 30 20 CHED C=CCc1ccccc1OCC1CCC2(CC1)OCCO2 792730227 PDWBPHSJYPORJX-UHFFFAOYSA-N 288.387 3.727 30 20 CHED O=[N+]([O-])c1ccc(NN=CCc2cccc(Cl)c2)cc1 794856211 GNFZQMQNFGRSME-UHFFFAOYSA-N 289.722 3.889 30 20 CHED CCC(C)(C)CCOC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 795827148 WZWHBIKEADCVFY-INIZCTEOSA-N 298.386 3.610 30 20 CHED C#C[C@H](C)N(C)Cc1cnc(-c2ccc(Cl)cc2)s1 793586208 HAXPHZRGHMFUCO-NSHDSACASA-N 290.819 3.917 30 20 CHED C=C(Br)CN[C@H]1CCC[C@@H]1Cc1ccccc1 1307689374 BGPCEJBUZGFXIB-CABCVRRESA-N 294.236 3.896 30 20 CHED C=C(Br)CN(c1cccc(F)c1)C(C)C 1307946042 MOGMPPBCJAHJNT-UHFFFAOYSA-N 272.161 3.949 30 20 CHED CC(C)c1nc([C@@H]2CCCCN2CCC(C)(C)C#N)no1 1307511255 VGVSKWLTDNIFEH-ZDUSSCGKSA-N 290.411 3.660 30 20 CHED Oc1cccc(/C=N\CCc2c(F)cccc2Cl)c1O 1319120801 FJBNSBBVNRNNMM-NVMNQCDNSA-N 293.725 3.552 30 20 CHED CCN(CCC#N)C(=O)c1[nH]c2ccc(C)cc2c1Cl 1319387874 COZKHWTTWGPSIL-UHFFFAOYSA-N 289.766 3.506 30 20 CHED Cc1cc(NC(=O)N[C@@H](C)CCC(C)(C)C)ncc1C#N 1311070652 UKKQSHCSZGKRAA-LBPRGKRZSA-N 288.395 3.598 30 20 CHED C[C@@H]1CC=C(c2nnc(-c3cccc(C#N)c3)o2)CC1 1327864399 KPQRCIZWNSNSGR-LLVKDONJSA-N 265.316 3.812 30 20 CHED CN(CCC1CC1)c1c(Br)cccc1C#N 1655289863 MUNSHBIFESUFGZ-UHFFFAOYSA-N 279.181 3.557 30 20 CHED Cc1nc(NC2CCC(C(C)C)CC2)ccc1C#N 1642406876 CQPVNRCQTHOVBT-UHFFFAOYSA-N 257.381 3.888 30 20 CHED CC(C)[C@@H]1CCC[C@H](Nc2ncccc2C#N)CC1 1642600571 PFWOPGZYKJPQAZ-HIFRSBDPSA-N 257.381 3.970 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@@H]1Nc1ccc(OCC#N)cc1 1328094549 BZVJVDAATVYTPE-PMPSAXMXSA-N 270.376 3.826 30 20 CHED COc1cccc(NN=CCCc2ccc(F)cc2)c1 1327190396 IUTXTLNONMLMSM-UHFFFAOYSA-N 272.323 3.865 30 20 CHED COc1ccc(CSc2cccc(F)c2C#N)cc1 1189432422 FLMKNOJDAAMWKD-UHFFFAOYSA-N 273.332 3.998 30 20 CHED Cn1ccc2ccc(Nc3nc(C#N)c(Cl)s3)cc21 1186144342 KDSVJLLPOLEHGZ-UHFFFAOYSA-N 288.763 3.903 30 20 CHED CC(CSC(C)(C)C)=NNCc1ccc(F)cc1 1253071952 SRNJNAKXVDQWOE-UHFFFAOYSA-N 268.401 3.823 30 20 CHED N#Cc1cccc(C#N)c1NC[C@@H]1CCC2(CCCCC2)O1 1343783553 PIWLRGSHQAARNN-INIZCTEOSA-N 295.386 3.724 30 20 CHED C[C@@H](OC(=O)CC(C1CC1)C1CC1)c1cccc(C#N)c1 1266016527 FEMXODCHHCFEDF-GFCCVEGCSA-N 283.371 3.989 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1C 1263638215 PZEXBISAFXMKPQ-HNNXBMFYSA-N 283.375 3.829 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CCC(C)CC1 1346484617 QJRMMZDXMHUBHZ-ZDUSSCGKSA-N 294.468 3.515 30 20 CHED C=C(CC)C(=O)Nc1cccc2c1CN(CC(C)C)C2 1346448508 BRAFQFLNOJDQAR-UHFFFAOYSA-N 272.392 3.563 30 20 CHED N#C[C@@H](C(=O)C1CCCC1)c1nc2cccc(Cl)c2[nH]1 1346149809 BQPQELIYTXAHQS-JTQLQIEISA-N 287.750 3.583 30 20 CHED CCn1cc(Cl)cc1C(=O)O[C@@H](CC#N)c1ccco1 1346706422 JVKKXNWEQBOZCA-ZDUSSCGKSA-N 292.722 3.566 30 20 CHED CC1(CC(=O)[C@H](C#N)c2nc3cccc(Cl)c3[nH]2)CC1 1345673093 HABBGEPDOKLFGR-VIFPVBQESA-N 287.750 3.583 30 20 CHED C[C@@H]1CC(C(=O)OCc2cc(C#N)ccc2F)C[C@@H](C)C1 1435412892 OMLNYMCLNXKMSC-RYUDHWBXSA-N 289.350 3.813 30 20 CHED CCn1c(C)cc(C(=O)O[C@@H](CC#N)c2ccco2)c1C 1350311179 HXQFIGWYGZUNMT-HNNXBMFYSA-N 286.331 3.530 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1CCC[C@H]1OC 1353680087 SZKGNZQNZSAKNW-GOEBONIOSA-N 273.376 3.559 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc2c(Cl)cncc2s1 1518424734 ADFUVGGSMFKUEO-MRVPVSSYSA-N 294.763 3.799 30 20 CHED C[C@H](NC(=O)c1cc(C#N)ccc1F)[C@@H](C)c1ccccc1 1515192459 HCUQFZCXJMHHSG-OLZOCXBDSA-N 296.345 3.619 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)[C@@H](CC#N)c1ccccc1 1523113060 YIEOIRSGMIGJMF-HOTGVXAUSA-N 284.403 3.626 30 20 CHED C=C[C@H](C(=O)N1CCC(CCF)CC1)c1ccccc1 1520372578 FRAFYMGUYNZDKZ-INIZCTEOSA-N 275.367 3.554 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1csc(C#N)c1 1534875246 KRQYPIJVJCTJKX-RISCZKNCSA-N 276.405 3.661 30 20 CHED CC[C@@H]1CCC[C@@H]1CNCc1ccc(C#N)c(F)c1 1462275452 YWVZLRZEZQZPSS-UKRRQHHQSA-N 260.356 3.613 30 20 CHED Cc1c(C#N)cccc1N[C@H]1CCc2cccnc2CC1 1461540729 PNUISDDJLNLYDB-INIZCTEOSA-N 277.371 3.621 30 20 CHED Cc1ccnc(SCc2ccc(F)c(C#N)c2)c1 1473086296 CNNYJWGRBFTFNI-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CC[C@@H](CN(CC)c1cc(C#N)nc(C)n1)c1ccccc1 1612279564 VWDORTJSLSDYLD-HNNXBMFYSA-N 294.402 3.677 30 20 CHED CC(C)CCC1CCN(c2ncc(C#N)cc2F)CC1 1559134346 QUGBIMWKOBHQMT-UHFFFAOYSA-N 275.371 3.745 30 20 CHED Cc1cccc(C(=O)Nc2ccc(F)cc2C#N)c1Cl 119268918 IYTOFBVTGPIHTA-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC[C@H]1CCCC[C@@H]1CNc1ncc(C#N)cc1F 1642734449 GKWVVOXNRCPZOY-QWHCGFSZSA-N 261.344 3.721 30 20 CHED C[C@H](NCc1cc(C#N)ccn1)c1ccc(Cl)s1 1658169033 RJZAHWYJCKLNSP-VIFPVBQESA-N 277.780 3.519 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 230003363 QXOHEBHGMSMJHT-NSHDSACASA-N 276.767 3.976 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)CC1 1585221025 YCXJNPMZUOUQBO-SMDDNHRTSA-N 290.794 3.910 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CCC[C@H]2CCC(C)C)n1 1655091597 CBJJMKKGGJNCNX-DZGCQCFKSA-N 272.396 3.674 30 20 CHED Cc1cc(C#N)nc(NCC2(CC(C)C)CCCC2)n1 231903721 PPBWAAVSIUSWSI-UHFFFAOYSA-N 272.396 3.675 30 20 CHED C[C@H](C#N)CNC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1673158454 SWDCVXZYGXAVIU-NEPJUHHUSA-N 285.391 3.753 30 20 CHED C=C(C)C[C@@H](NCc1scc(Cl)c1Cl)C(=O)O 1776138436 QSEBVEUOSSIWJJ-MRVPVSSYSA-N 294.203 3.564 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCC[C@H](C)CCC)C1 1776156367 BLUPLDOUGDRWHC-WBVHZDCISA-N 281.440 3.946 30 20 CHED N#Cc1ccc(OCc2ccc(F)c(F)c2)c(F)c1 134317466 OPRQKJIZDFXSHZ-UHFFFAOYSA-N 263.218 3.555 30 20 CHED N#Cc1cccc(NCc2cccc(Br)c2)c1 19921903 UPCONTSMBCAGRY-UHFFFAOYSA-N 287.160 3.933 30 20 CHED N#Cc1ccc(OC(=O)CC2CCCCC2)c(F)c1 158202693 JKGKIMVVCQABGK-UHFFFAOYSA-N 261.296 3.573 30 20 CHED C[C@@H](N(C)C(=O)N[C@@H](CCC#N)c1ccccc1)C1(C)CC1 160505072 FARSYSRSGKKWOK-ZBFHGGJFSA-N 299.418 3.861 30 20 CHED COCCC1(CN[C@@H](C)c2ccc(C#N)cc2)CCCC1 151014800 BCSJJXHMXRNBCG-HNNXBMFYSA-N 286.419 3.806 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(Cl)cc(Cl)c1 234027542 INSOMKUVYSOHIM-SNVBAGLBSA-N 271.147 3.527 30 20 CHED C=CCN(Cc1ncc(-c2ccc(F)cc2)o1)C(C)C 917069821 WUORZCCGHZYWGF-UHFFFAOYSA-N 274.339 3.877 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc(OC(F)F)cc1 924567687 RQQXDPMXUGRSAQ-LLVKDONJSA-N 282.334 3.706 30 20 CHED N#Cc1ccc(Cl)cc1NCc1ccccc1O 36954317 SPFLGKBQIDAKLN-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C[C@H]1C[C@@H](NCc2cccc(C#N)c2)c2ccccc21 264398637 VBGSJFZHABOJMW-SCLBCKFNSA-N 262.356 3.896 30 20 CHED N#Cc1cccc(NC(=O)NCc2cccc(Cl)c2)c1 40652448 WIFKAAFRKOPKFA-UHFFFAOYSA-N 285.734 3.533 30 20 CHED Cc1ncc(CNc2ccc(C#N)c(C(F)(F)F)c2)s1 49534648 LEQZZSXVWCGIEF-UHFFFAOYSA-N 297.305 3.954 30 20 CHED C[C@@H]1[C@@H](NCc2ccc(F)c(C#N)c2)CCC[C@H]1C 300419803 QEGUZOQPZUMYBU-WQGACYEGSA-N 260.356 3.612 30 20 CHED C[C@@H]1CC[C@@H](C)[C@@H](NCc2ccc(C#N)c(F)c2)C1 404837861 LGYLDQIOQIFQNV-HSMVNMDESA-N 260.356 3.612 30 20 CHED N#Cc1cc(F)cc(OCCCOCc2ccccc2)c1 309851325 ARNVNKUTPFZBSY-UHFFFAOYSA-N 285.318 3.683 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(F)cc2C)C1 617782876 OGEZDYOXLSFVPP-ZDUSSCGKSA-N 261.340 3.562 30 20 CHED Cc1ccc2nc(-c3ccc(C#N)cc3F)[nH]c2c1C 536385115 CMCSYPXLFSLJND-UHFFFAOYSA-N 265.291 3.858 30 20 CHED COc1ccccc1CNc1nc(C)c(C#N)cc1Cl 336831431 JELMRGCKHNNQPP-UHFFFAOYSA-N 287.750 3.536 30 20 CHED CCCC(CCC)=NNc1nncc2ccccc12 6287551 HEHJYKAVLSTJET-UHFFFAOYSA-N 256.353 3.998 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccsc2C#N)C1 1265030035 PAXLWUGKDYLNEU-RYUDHWBXSA-N 276.405 3.564 30 20 CHED CCCCCC[C@H](C)CC(=O)[C@@H](C#N)c1nccn1C 1342163150 CAURYIZECLDVAL-UONOGXRCSA-N 275.396 3.593 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccccc1Cl 106422152 FBIFVYOAKWZVNU-UHFFFAOYSA-N 278.783 3.932 30 20 CHED Cc1ccc2nc(-c3cccc(OCCCC#N)c3)[nH]c2n1 178980916 PGURWMGCUNIIPZ-UHFFFAOYSA-N 292.342 3.616 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)C1(C)C 26124124 UQSPDNBLNOZTDZ-XYPHTWIQSA-N 296.414 3.974 30 20 CHED Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccc(C#N)c(C)n1 179321348 AIBZTXRVYPTZOG-CQSZACIVSA-N 294.354 3.797 30 20 CHED C[C@H](C#N)CN(C)C(=O)CCc1ccc(C(C)(C)C)cc1 63747575 SYCSLTVMAKHLFN-CQSZACIVSA-N 286.419 3.535 30 20 CHED N#C[C@@H](C(=O)CC1=CCCCC1)c1nc2ccccc2o1 171655565 DEBSVEXLBHMPIK-ZDUSSCGKSA-N 280.327 3.895 30 20 CHED CCOC(=O)C[C@@H](C)S[C@H](C)c1ccc(C#N)cc1 118180255 NNIKDBGODLGQIL-VXGBXAGGSA-N 277.389 3.694 30 20 CHED C[C@H](CCc1ccccc1)Nc1ccc(C#N)cc1 20012732 LLIQWPZIJOQELP-CQSZACIVSA-N 250.345 3.991 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H]1CSC)c1ccccc1 179326175 VFHXCOBDULVCKB-GDBMZVCRSA-N 289.444 3.700 30 20 CHED C=C(C)CN(CC)Cc1nc2c(F)cccc2n1CC 114712403 CDDNJGSBWDZTFZ-UHFFFAOYSA-N 275.371 3.593 30 20 CHED C#CCOc1ccccc1CNc1ccc(OC)cc1C 61566137 XRSWAPRXLOUAIJ-UHFFFAOYSA-N 281.355 3.628 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccccc1O 179569087 NGMHOWUPMWHGIS-UHFFFAOYSA-N 280.371 3.674 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)CC(C)(C)C)n1 177742385 FIVIBWPRNJPMJR-SNVBAGLBSA-N 264.394 3.879 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1cccc(F)c1 20148055 ZGZMTDJHICXWQN-CQSZACIVSA-N 283.346 3.689 30 20 CHED Cc1ccc(C[C@@H](C)Nc2ncccc2C#N)c(C)c1 301209447 RRXHUSGADUTHKY-CQSZACIVSA-N 265.360 3.613 30 20 CHED C#CCCCNC(=O)c1ccccc1Sc1ccccc1 172925898 XTJKAIGDEKXJLT-UHFFFAOYSA-N 295.407 3.981 30 20 CHED C=CCCCSCc1ccc(C(=O)OC)s1 466365548 XQJZHAMTYADVPD-UHFFFAOYSA-N 256.392 3.734 30 20 CHED C=CCOc1ccc(OC(=O)C[C@H]2C=CCC2)cc1 173520810 FANSCIMDFOKWAF-ZDUSSCGKSA-N 258.317 3.513 30 20 CHED CC[C@H](C)CN(CC)c1snc(Cl)c1C#N 301958616 ONMBCLKYFYBGRJ-QMMMGPOBSA-N 257.790 3.541 30 20 CHED C=CCCCSc1nnc(NCC(F)(F)F)s1 117552038 FPNRRMPJAIYRQD-UHFFFAOYSA-N 283.344 3.571 30 20 CHED N#Cc1ccnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] 301624441 GNDXEXJEUCUAAY-UHFFFAOYSA-N 291.266 3.807 30 20 CHED N#Cc1nccnc1Oc1ccc(Oc2ccccc2)cc1 301138916 FVPAAZMEHKAESL-UHFFFAOYSA-N 289.294 3.933 30 20 CHED COCCC1(CNc2ccc(C#N)cc2)CCCCC1 302516303 YABYOTABAOOHHB-UHFFFAOYSA-N 272.392 3.957 30 20 CHED CC[C@@H](Nc1snc(Cl)c1C#N)c1c(C)noc1C 301820238 JJVFCKCASQHCGU-SECBINFHSA-N 296.783 3.836 30 20 CHED Cc1ccc(C#N)cc1OCc1noc(-c2cccs2)n1 122965070 VSSBYSSPEKODGZ-UHFFFAOYSA-N 297.339 3.557 30 20 CHED C#CCCC/N=C(\N)Nc1cccc(Oc2ccccc2)c1 178586410 BEQHCTDFKCVOKF-UHFFFAOYSA-N 293.370 3.619 30 20 CHED C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 302129859 AUKGYAHYSFPDSP-LLVKDONJSA-N 292.298 3.511 30 20 CHED C[C@H]1CN(c2ccc(C#N)nc2)CC[C@H]1c1ccccc1 301519176 CPQSFFLGHFDLPM-KBXCAEBGSA-N 277.371 3.583 30 20 CHED C=CCCC(=O)N[C@H](CCC)c1ccc(F)cc1F 124245530 BDBMEYCYILXIHP-CQSZACIVSA-N 267.319 3.888 30 20 CHED N#Cc1nc(Oc2ccc(C=O)cc2Cl)ccc1Cl 301502623 FOXNKXBYQUVPGE-UHFFFAOYSA-N 293.109 3.865 30 20 CHED CC(C)(C)SCCCOC(=O)c1cccc(CC#N)c1 181615518 SNCAWVFMLLNTNB-UHFFFAOYSA-N 291.416 3.831 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1cccs1 182640743 BKSWUHGMMRDGIC-NEPJUHHUSA-N 251.395 3.713 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc(C(C)C)s1 426554076 SZRAMTWIDQWGAO-LBPRGKRZSA-N 250.411 3.807 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc(F)c(F)cc1F 129919763 CESLTLCLGBGRRW-UHFFFAOYSA-N 298.308 3.506 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C1 77672609 DZGYVMBGKWJFHF-CZUORRHYSA-N 285.391 3.843 30 20 CHED C=CCCNc1ccc(C(=O)N[C@@H](C)CC)cc1C 77245597 PCJHNFZLNAJVKN-ZDUSSCGKSA-N 260.381 3.511 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cccs1 34895921 RPDSMZSHZPMPDV-YVMONPNESA-N 259.286 3.552 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)[C@@H](C)CC)c1ccccc1 187103160 JBISDSNSKIKQTD-LZWOXQAQSA-N 259.393 3.897 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2C#N)C[C@H]1C 410555064 GEPQEYNOMRQOSR-IJLUTSLNSA-N 274.339 3.708 30 20 CHED C=C(C)[C@H](NC(=O)NCCCC)c1ccc(F)c(F)c1 187047025 ZPMFPQVHLURUDM-AWEZNQCLSA-N 282.334 3.681 30 20 CHED C=CCNC(=O)NCc1c(OC(C)C)ccc2ccccc12 183764218 BLAKXLUKCCMMHE-UHFFFAOYSA-N 298.386 3.612 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]1C(C)C 413841869 XLVBJRDJNFNRON-SJORKVTESA-N 286.419 3.614 30 20 CHED C=CC[C@@H](C)NCc1ccc(C)cc1Br 159636301 XGPNIKHSPREKKA-LLVKDONJSA-N 268.198 3.812 30 20 CHED N#Cc1ccnc(SCc2ncc(-c3ccccc3)o2)c1 71918256 BIAPCBNQQHYMSI-UHFFFAOYSA-N 293.351 3.901 30 20 CHED C=C(C)CCc1noc([C@H](F)Cc2ccccc2)n1 508662222 CAFAAPBCNCISSI-CYBMUJFWSA-N 260.312 3.832 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)C[C@@H](C)C2 411006819 FCXKMFJGYGOZII-ZJUUUORDSA-N 276.405 3.900 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 217039178 QXFAAGUXZSORAO-LREOWRDNSA-N 288.690 3.539 30 20 CHED C=C(C)CN(C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 181321191 VQTLLRCTGIRZHQ-GFCCVEGCSA-N 289.354 3.753 30 20 CHED CC[C@@H](C#N)NC(=O)C(CC)(CC)c1ccc(Cl)cc1 123922737 BKUKHRMZDLGPOX-AWEZNQCLSA-N 292.810 3.816 30 20 CHED CO[C@H](COc1ccccc1C#N)c1ccc(Cl)cc1 509104186 UXHAFOVDWIOJDW-MRXNPFEDSA-N 287.746 3.978 30 20 CHED CCCC[C@@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl 410011425 MYZWNCXGDLBFRL-BXUZGUMPSA-N 278.783 3.847 30 20 CHED CN(CC#N)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 79840109 DKYCJEPVZKWVIK-UHFFFAOYSA-N 296.370 3.840 30 20 CHED C[C@@H](CCC#N)Sc1cc2c(cc1Cl)OCCO2 412988363 AHUXFEIIZZMQDQ-VIFPVBQESA-N 283.780 3.896 30 20 CHED Cc1c(C(=O)OCC(C)(C)C#N)cccc1-c1ccccn1 180099732 KRASLDWLSUZKDG-UHFFFAOYSA-N 294.354 3.764 30 20 CHED CC#CCCCC(=O)Nc1cc(C)c(Cl)cc1OC 184892469 QOCJASZWYQCAAL-UHFFFAOYSA-N 279.767 3.789 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1cc2ccccc2o1 182624874 SHTAEJXSHFGRBA-CHWSQXEVSA-N 267.332 3.527 30 20 CHED CCC[C@@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)C(C)C 184013874 OFWQPKTXXBIXDL-IEBWSBKVSA-N 298.430 3.626 30 20 CHED C[C@H](NC(=O)c1coc2ccccc12)c1cccc(C#N)c1 75276360 NETATOBWIBCXGL-LBPRGKRZSA-N 290.322 3.795 30 20 CHED Cc1cc(C)cc(C(=O)[C@@H](C#N)c2nc(C)cs2)c1 41520053 GBIYHNJNZBENME-CYBMUJFWSA-N 270.357 3.558 30 20 CHED C=CCSCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 44347175 ALOGCPPJSINHNF-ZDUSSCGKSA-N 289.444 3.662 30 20 CHED Cc1cccc(OCCNc2ccccc2O[C@H](C)C#N)c1 182588604 WDRHACVMZFIVSW-OAHLLOKOSA-N 296.370 3.777 30 20 CHED CCCCCOc1cc(CNC[C@H](C)C#N)ccc1OC 183820002 MFOXIQMVESAOQR-CQSZACIVSA-N 290.407 3.513 30 20 CHED CN(C(=O)CCCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 416004318 GQXJMEHCXJUMJB-SJORKVTESA-N 284.403 3.865 30 20 CHED CCc1ccccc1CNc1c(C#N)nnc2ccccc12 76324648 IJIVXOYRWLQCKN-UHFFFAOYSA-N 288.354 3.676 30 20 CHED C=CCN(C)C(=O)c1cc(C)n(C2CCCCC2)c1C 187655100 LUDJENWBSKNTKC-UHFFFAOYSA-N 274.408 3.868 30 20 CHED COc1cc(C)cc(OC)c1OCCCC(C)(C)C#N 135475727 NIWRLXDUTLLKHH-UHFFFAOYSA-N 277.364 3.721 30 20 CHED CCCc1ccc(C(=O)COc2ccccc2C#N)cc1 47874190 FFFBORRRJMRICK-UHFFFAOYSA-N 279.339 3.772 30 20 CHED N#Cc1c(F)cccc1Sc1ncnc2ccsc12 78262348 LXDKNWIERRARGU-UHFFFAOYSA-N 287.344 3.853 30 20 CHED C[C@@H](Nc1ccc(OC2COC2)cc1)c1cccc(C#N)c1 188656087 VKCBUWIIXIDDFF-CYBMUJFWSA-N 294.354 3.509 30 20 CHED CC#CCCCC(=O)N[C@H](CC)c1cc(F)ccc1F 185648425 IKXBRZSIYQETMX-OAHLLOKOSA-N 279.330 3.726 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(-c2ccccc2)on1 85604580 YLISMMBEDNXTGD-UHFFFAOYSA-N 285.347 3.772 30 20 CHED Cc1noc(C2CC2)c1N=C(O)[C@@H](C)c1ccccn1 328796372 UTPQADVYZBWABU-VIFPVBQESA-N 271.320 3.647 30 20 CHED CC(C)c1ccccc1NC(=O)N(C)[C@H](C)CC#N 86280197 HDYKVVNTULPTMI-GFCCVEGCSA-N 259.353 3.576 30 20 CHED C=CCCCCCN(C)C[C@@H](C)c1nccs1 193546704 NCGFXVKJKJMQAP-CYBMUJFWSA-N 252.427 3.925 30 20 CHED CC(C)(CNc1cccc(Cl)c1C#N)c1cccnc1 413595864 SICOZDJSMRDLSR-UHFFFAOYSA-N 285.778 3.996 30 20 CHED Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H](C)C#N 524246073 ZSROVYPSPNQPKK-AWEZNQCLSA-N 294.354 3.672 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccc(F)cc1F 131170597 ONFVEFPBGRNDMI-UHFFFAOYSA-N 287.265 3.502 30 20 CHED OC(CC[C@@H]1CCCCO1)=Nc1cccc2ocnc12 328871391 IIZVLXJNCYFMBX-NSHDSACASA-N 274.320 3.765 30 20 CHED Cc1ccc(C)c([S@](=O)CCCC(C)(C)C#N)c1 87611188 JMWOIHPHYXNYON-SFHVURJKSA-N 263.406 3.741 30 20 CHED CCOc1ccc(CSc2nc(C)cc(C)c2C#N)nc1 83202520 AJNGKFXBPGIZRC-UHFFFAOYSA-N 299.399 3.656 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCc3ccccc32)CCC1 191566273 SBGVPHATYPBTAU-OAHLLOKOSA-N 269.388 3.579 30 20 CHED N#Cc1c(F)cccc1COc1ccc2c(c1)C(=O)CCC2 427528397 RAPXBBITWZHVPM-UHFFFAOYSA-N 295.313 3.795 30 20 CHED CCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 48926264 MHVPXZNXTDSCEI-UHFFFAOYSA-N 266.300 3.699 30 20 CHED Cc1ccc(SCCN(CCC#N)CCC#N)cc1C 132863627 HABJPWGOHUZUEJ-UHFFFAOYSA-N 287.432 3.525 30 20 CHED O=S(=O)(/C=C/c1ccccc1)/N=C(\O)CC1CCCC1 48518318 UCDPLZOFWHNZKS-ZHACJKMWSA-N 293.388 3.524 30 20 CHED CCN(C(=O)[C@]12CCC[C@@H]1C2)[C@H](C)c1ccc(C#N)cc1 421438667 RLVZXSYTEPWSOS-QBIMZIAESA-N 282.387 3.658 30 20 CHED CC1(C)CC[C@@H](C(O)=Nc2cccc3c2C(O)=NC3)C1 329309201 AHIMZLJDVOKTEU-SNVBAGLBSA-N 272.348 3.919 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC(F)(F)C1 424833881 VWYOHOFHVJZOPZ-NSHDSACASA-N 259.340 3.530 30 20 CHED C=CCOc1ccccc1C(=O)NC[C@@H]1CCC[C@@H](C)C1 195622267 VLLOONIOXWBFPE-HUUCEWRRSA-N 287.403 3.808 30 20 CHED C=CCN(C)[C@@H](C)c1ccccc1Br 194974297 QFGSDEBAIZFWKR-JTQLQIEISA-N 254.171 3.628 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(-c2ccco2)cc1F 335270782 GFJBRGVSCHPDOE-QLJPJBMISA-N 284.290 3.574 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCCCC1(C#N)CCOCC1 337207098 NVRXQFPBSPDQTR-OWCLPIDISA-N 278.440 3.501 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C#N)s1 336100576 UGIXLEDXGZJSDQ-JSGCOSHPSA-N 296.395 3.638 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cccc(Br)c1 88249669 MLLMZBBGRNAMRF-NSHDSACASA-N 293.208 3.794 30 20 CHED CCN(CCC#N)C(=O)[C@@H](C)c1ccc2ccccc2c1 84633709 PBLZCXHRUJTKFI-AWEZNQCLSA-N 280.371 3.705 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1cccc(OC(F)F)c1 192752444 HFZMNPPWCKXSAO-VOTSOKGWSA-N 293.269 3.789 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(C#N)c1 82349615 YEJLQYHHVBLTQU-KSSFIOAISA-N 290.366 3.576 30 20 CHED C[C@@H]1CCC[C@@H](CC(O)=Nc2nc3cccnc3[nH]2)C1 330270168 SZAKSOSAPVYVLH-GHMZBOCLSA-N 272.352 3.762 30 20 CHED C[C@H]1Cc2ccccc2CN1CCCC1(C#N)CCOCC1 337197230 WZHAQMDGLAKSDT-INIZCTEOSA-N 298.430 3.534 30 20 CHED CC[C@H](C#N)NC(=O)c1cc2c(s1)-c1ccccc1CC2 195525866 SPYMHNGCVCSKKV-CYBMUJFWSA-N 296.395 3.546 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1c(C)oc2ccccc12 337100329 VFOJTBMWNDRNOC-ZDUSSCGKSA-N 271.360 3.755 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(F)c2ccccc12 233465534 FDSLATRMIRLIPJ-LBPRGKRZSA-N 284.334 3.601 30 20 CHED N#Cc1ccccc1CN(CC1CCC1)CC(F)(F)F 178456234 FOTAKDCSVCRKKW-UHFFFAOYSA-N 282.309 3.723 30 20 CHED Cc1sc(NC(=O)CC[C@H]2CCCCO2)c(C#N)c1C 330700831 GNMDQTYRNVTWMQ-GFCCVEGCSA-N 292.404 3.524 30 20 CHED CC1(C)CCCc2cc(C#N)c(NCc3nccs3)nc21 428108687 VFBHOAJMWPZRPS-UHFFFAOYSA-N 298.415 3.636 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(C)c(C)c1 514960034 FLUNUROMAMVAGU-OAHLLOKOSA-N 289.444 3.985 30 20 CHED Cc1cccc(C2=CCN(CCCSCC#N)CC2)c1 92822365 FEIXWFQIIORMDU-UHFFFAOYSA-N 286.444 3.731 30 20 CHED C=CCOc1ccccc1CN=c1cc[nH]c2ccccc12 517670117 SHGRBJMPIOFREM-UHFFFAOYSA-N 290.366 3.834 30 20 CHED CC(C)C[C@H](C)CC(=O)N1CCc2c(C#N)cccc21 421651773 MYGDCWOKYIGYNZ-ZDUSSCGKSA-N 270.376 3.520 30 20 CHED C[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C(C)(C)C1 335883627 YOKMHDABZWCKRN-CYBMUJFWSA-N 284.403 3.748 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2ccc(CC#N)cc2)c1 335346438 OFRXWHKRVVHYHS-UHFFFAOYSA-N 278.355 3.646 30 20 CHED C[C@H](Cc1ccsc1)Nc1nc(Cl)c(C#N)s1 235490060 OAYPENHPVSECEM-SSDOTTSWSA-N 283.809 3.773 30 20 CHED Cc1cccc(NC(=O)N2CCC(CCC#N)CC2)c1F 335410246 NJOBCWVOGYBPKT-UHFFFAOYSA-N 289.354 3.682 30 20 CHED C=C(C)C[C@H](C)c1nc(-c2ccc(O)cc2C)no1 436882556 SPRRCZARSFTALI-NSHDSACASA-N 258.321 3.820 30 20 CHED Cn1cc(N[C@H]2CCC[C@H](C#N)C2)c(C2CCCCC2)n1 333579367 RDXGLAWTHMTWPD-ZFWWWQNUSA-N 286.423 3.962 30 20 CHED C=CCC[C@H](NC[C@H](c1ccc(F)cc1)N(C)C)C1CC1 439088624 VCOIPIPYGVVWEG-ZWKOTPCHSA-N 290.426 3.763 30 20 CHED N#Cc1cccnc1N[C@H]1CCCc2ccc(F)cc21 92964338 YUUIEHJVTHRMEK-HNNXBMFYSA-N 267.307 3.582 30 20 CHED Cc1c(Br)cccc1NC(=O)CC(C)(C)C#N 335890481 QXXQCMHEFLWEDQ-UHFFFAOYSA-N 295.180 3.636 30 20 CHED C=CCn1cccc1C(=O)N1CCC(C)=C(c2ccco2)C1 338194312 XLQHLKZGJBXLSK-UHFFFAOYSA-N 296.370 3.587 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1sccc1C1CC1 336417320 KPXPPGVLMVTNDL-UHFFFAOYSA-N 286.331 3.889 30 20 CHED OC(C[C@@H]1CCOC1)=Nc1ccc2nc(C3CC3)oc2c1 330283438 WDVMVQJHQVSYDI-JTQLQIEISA-N 286.331 3.720 30 20 CHED Cc1cc2c(S[C@@H]3CC[C@H](C#N)C3)ncnc2s1 334567376 XLOHDTUDFUMUPX-VHSXEESVSA-N 275.402 3.784 30 20 CHED COc1ccccc1C[C@@H](C)N(C)CC(C)(C)CCC#N 93102470 QJCRNBJCNGRGJT-OAHLLOKOSA-N 288.435 3.888 30 20 CHED C[C@H]1CC[C@H](NCc2cccc(OCCCC#N)c2)C1 436410911 MYWXBHYKYMFCFS-HOCLYGCPSA-N 272.392 3.647 30 20 CHED COCC(C)(C)CCCNc1ccc(F)cc1C#N 340940032 BREMQMVLLHPUIQ-UHFFFAOYSA-N 264.344 3.562 30 20 CHED C#CCCCNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 245473170 PRUHJINOOVBOAQ-BJLQDIEVSA-N 295.426 3.565 30 20 CHED Cc1ccccc1NC(=O)[C@H](C#N)CCc1ccccc1 433105922 PVOUAHDAJWRHJL-INIZCTEOSA-N 278.355 3.706 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)[C@@]1(C)CCCO1 340319109 JSWXIEUVAGBJPG-RHSMWYFYSA-N 288.391 3.739 30 20 CHED Cc1ccsc1[C@@H](C)NCc1ccc(OCC#N)cc1 180557727 QCJURSCDXVQJGE-CYBMUJFWSA-N 286.400 3.810 30 20 CHED CC(C)Cc1ccc(CC(=O)N(CCC#N)C(C)C)cc1 523283254 AQDLOFIBJOYERY-UHFFFAOYSA-N 286.419 3.578 30 20 CHED C=CCCN1CCN(Cc2cccc3ccccc23)CC1 525328215 FSJTZXAHLTZPSV-UHFFFAOYSA-N 280.415 3.534 30 20 CHED C=CCN(CCc1ccccc1)CCC1CCOCC1 432926797 ZLSSZFMGFSFZAI-UHFFFAOYSA-N 273.420 3.534 30 20 CHED C[C@@H](CCC#N)CNCc1ccc2sccc2c1 602669781 KEBRDFUKWYIFJN-LBPRGKRZSA-N 258.390 3.931 30 20 CHED COc1ccc(O)c(/C=N\Cc2nc3ccccc3s2)c1 255893907 SWTQYTHMWPILPA-MFOYZWKCSA-N 298.367 3.630 30 20 CHED CC(C)(C#N)CCN1CCc2cc(Br)ccc21 538467696 KXHHAYSFDFSLDY-UHFFFAOYSA-N 293.208 3.751 30 20 CHED C=C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@H]3C)o2)CC1 342108722 SJTKPTWVDSRECS-APIJFGDWSA-N 285.387 3.685 30 20 CHED N#Cc1cc(C(=O)NC2(c3ccccc3)CCC2)ccc1F 340968464 GCMDFSXNIXBKQU-UHFFFAOYSA-N 294.329 3.507 30 20 CHED C=CCOc1ccc(/C=C\c2ccncc2C#N)cc1OC 347448379 QKXNOKKIDMKLQR-XQRVVYSFSA-N 292.338 3.697 30 20 CHED C=CCSc1nc2c(c(-c3ccco3)c1C#N)CCC2 522822631 JMCJKZFRTIXWIU-UHFFFAOYSA-N 282.368 3.980 30 20 CHED C[C@H](CCC#N)CN1CC(c2cccc(Cl)c2)C1 602684466 YPXBYHQRYWPEFC-GFCCVEGCSA-N 262.784 3.679 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)Oc1ccc(F)cc1 449180336 YRKNYNGUBOLTCJ-KTAKPFMOSA-N 290.382 3.655 30 20 CHED CC[C@@H](NCCc1cccc(F)c1)c1ccc(C#N)cc1 447508500 KPYRMTWKGBBRGP-GOSISDBHSA-N 282.362 3.981 30 20 CHED N#CC1(CSc2nnc(CCC3CCCCC3)o2)CC1 538658762 MDUBANCUANRMPK-UHFFFAOYSA-N 291.420 3.978 30 20 CHED C=CCCCNc1cc2c(cc1OCC)C[C@@H](C)O2 607150019 TXIFJNKGISGTCY-GFCCVEGCSA-N 261.365 3.787 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCc3ccc(Cl)cc32)n1 602730642 SLFGIWZGYLARLM-QGZVFWFLSA-N 297.789 3.774 30 20 CHED N#Cc1ccc(OCC(=O)CCC2CCCC2)cc1F 359625502 RNJYQGYZHFUDBW-UHFFFAOYSA-N 275.323 3.616 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1c1cccc(C)c1C 449923273 DHZYDWNSSNCCDC-SQNIBIBYSA-N 299.414 3.558 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1 351599857 KMTVEKWWSNJAMP-UHFFFAOYSA-N 297.398 3.892 30 20 CHED Cc1ccc(CCCCC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612235249 CWXMCWKCIODNLR-IBGZPJMESA-N 298.430 3.860 30 20 CHED Cc1ccc(C(=O)CCN(CCC#N)CC(C)(C)C)cc1 359857137 NLQZCGOBLJRNRP-UHFFFAOYSA-N 286.419 3.830 30 20 CHED CCCCNC(=O)CCS[C@@H](C)c1cccc(C#N)c1 443136403 BNLKFJLBAAXJDB-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED CN(CC#Cc1ccc(F)cc1)Cc1cc(F)cc(F)c1 444696148 HEWJQYLPVFQBKJ-UHFFFAOYSA-N 289.300 3.587 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(CC)ccc1O 536693747 WIKUJHCOCDEJQR-UHFFFAOYSA-N 295.382 3.783 30 20 CHED N#Cc1ccc(SCc2cccc(F)c2F)nc1 352933622 FFHFXKWPOWBDEB-UHFFFAOYSA-N 262.284 3.524 30 20 CHED C=CCCc1nc(Cc2cn(C)c3cc(C)ccc23)no1 445628213 VATIZBZOZWLAGO-UHFFFAOYSA-N 281.359 3.579 30 20 CHED C[C@@H](CC(=O)NCC#Cc1ccccc1)CC(C)(C)C 613350555 AVUYVTKSMBUBNG-HNNXBMFYSA-N 271.404 3.617 30 20 CHED CCS[C@H]1CCCCN(Cc2ccc(C#N)cc2C)C1 614400784 FHVIIFYWXGZLGQ-KRWDZBQOSA-N 288.460 3.974 30 20 CHED N#CC1(CN[C@H]2CCCC[C@@H]2c2ccccc2)CCC1 450754424 CLUPDSUOMBMNRZ-SJORKVTESA-N 268.404 3.996 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(Cl)s1 268130022 DZVDNHRKOVOYFV-UHFFFAOYSA-N 283.824 3.829 30 20 CHED C=CCn1c(C)nnc1SCCC(C)(C)CC 361239312 UPHQQOLJPGBZFK-UHFFFAOYSA-N 253.415 3.691 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cccc(OC(F)(F)F)c2)C1 612406839 VJTZCTUQTXLJAE-AWEZNQCLSA-N 298.308 3.711 30 20 CHED C=CCN(C(=O)C[C@@H](CC)c1ccccc1)[C@@H](C)COC 617578702 OZJMLVFDSQYQAC-JKSUJKDBSA-N 289.419 3.620 30 20 CHED CCC[C@H](NCc1ccnc(C#N)c1)C1CCCCC1 611433858 MDKCCJLHLNMMKE-KRWDZBQOSA-N 271.408 3.792 30 20 CHED C=CCCc1noc(CCc2ccc(Cl)s2)n1 453245789 IOYXBWDCPVYJQM-UHFFFAOYSA-N 268.769 3.688 30 20 CHED C=CC[C@H](C(=O)N1CCC2(CC1)CC2)c1ccccc1 363780959 PQSISSVYTIRQOC-INIZCTEOSA-N 269.388 3.749 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H](c2ccccc2)C1 455323735 KXLUZDKFIGYDRK-INIZCTEOSA-N 272.392 3.542 30 20 CHED COC(=O)c1cccc(CSCC=C(C)C)c1C#N 618460179 NPBBEOURSWMJIV-UHFFFAOYSA-N 275.373 3.544 30 20 CHED C#CCCCC(=O)Nc1ccc(F)cc1OC(C)(C)C 277399330 DXFOTYMRPHWKLU-UHFFFAOYSA-N 277.339 3.745 30 20 CHED CC(C)(NCc1ccc(F)cc1C#N)c1cccs1 544468674 HETNVPHDRZYSLP-UHFFFAOYSA-N 274.364 3.784 30 20 CHED N#CCCN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 278836295 ZDMPANQIYSZGEV-OCCSQVGLSA-N 282.309 3.845 30 20 CHED CC#CCCCC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 274327738 IEXPQJAABDIMHX-SJLPKXTDSA-N 283.415 3.660 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2c2ccsc2)c1 274330773 MSTRDAKUXSZDBB-ZDUSSCGKSA-N 299.355 3.869 30 20 CHED CCCc1ccc(CN(CCC#N)Cc2cccnc2)cc1 610662077 AJCKMLMROGEOAP-UHFFFAOYSA-N 293.414 3.950 30 20 CHED CCC(CC)c1noc(C2(c3cccc(C#N)c3)CC2)n1 544533164 ZTAMMXMFBQMBOB-UHFFFAOYSA-N 281.359 3.925 30 20 CHED CC[C@@H]1CN(C(=O)NCCCC#N)CC[C@H]1c1ccccc1 273435364 BGVCSZIHKWOBPN-NVXWUHKLSA-N 299.418 3.515 30 20 CHED CC(C)c1occc1C(=O)N[C@@H](C#N)c1ccccc1F 361841344 DBHOILVJLLOLJU-AWEZNQCLSA-N 286.306 3.537 30 20 CHED CCC(CC)NC(=O)Nc1ccc(CC#N)cc1Cl 455754927 QYFIBQMYAQWQAA-UHFFFAOYSA-N 279.771 3.716 30 20 CHED CN(CCCOc1ccccc1)Cc1ccc(CC#N)cc1 542210441 RHICETCNEUIBNW-UHFFFAOYSA-N 294.398 3.654 30 20 CHED C=CCSCCN[C@@H](C)C(C)(C)c1ccccc1 540968966 BFEMSKWDDJOHKX-AWEZNQCLSA-N 263.450 3.862 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(OC)cc2C)no1 624724365 ISKYHYQLZXMPAD-GFCCVEGCSA-N 288.347 3.707 30 20 CHED C=C(CC)CNC(=O)c1cc(Cl)ccc1Cl 453025804 VFZVHQCSKIWJIO-UHFFFAOYSA-N 258.148 3.689 30 20 CHED CCC[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccccn1 456751589 NVXFUGNFKJNSMF-MRXNPFEDSA-N 293.370 3.670 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2c2cccs2)c1 274312480 IHXARILKSBNKCJ-ZDUSSCGKSA-N 299.355 3.869 30 20 CHED CC(C)Cc1ccc(CCCC(=O)NC(C)(C)C#N)cc1 541900723 ISKMZMVFUWVFHK-UHFFFAOYSA-N 286.419 3.626 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1ccc([N+](=O)[O-])c(C#N)c1 545916107 OGWLBZUKHKKKJP-MRXNPFEDSA-N 293.326 3.874 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@H]2CCCC[C@H]12 541107065 LMRMPFAYMTZYLW-VMGRFDJRSA-N 272.367 3.708 30 20 CHED CCOC1CC(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 377133147 ZNGQNRJDHODWQD-FYOYPEGLSA-N 298.430 3.573 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](C)c1ccc(F)cc1 467948879 MRLASWKPMSQLKU-BLLLJJGKSA-N 263.356 3.648 30 20 CHED C=CC1CCN(C(=O)[C@]2(C)CCc3ccccc3C2)CC1 463835683 JWHCPFOEQOMEIA-LJQANCHMSA-N 283.415 3.606 30 20 CHED CSc1ccc([C@H](C)OC(=O)CC(C)(C)C#N)cc1 281214302 JEYKFVRZDRBNAT-NSHDSACASA-N 277.389 3.953 30 20 CHED C=C(C)Cn1c(N2CCC[C@@H]2C(C)C)nnc1C(C)(C)C 460367070 CHZGLOKQSLKBQD-CQSZACIVSA-N 290.455 3.777 30 20 CHED CCOc1ccc(NCCCC2(C#N)CCOCC2)cc1 281226365 OSQJGRWMVZTERL-UHFFFAOYSA-N 288.391 3.598 30 20 CHED CC(C)c1ccc(/C=N/OCc2cncc(F)c2)cc1 280941689 IWISTBSKZXTGNN-DJKKODMXSA-N 272.323 3.895 30 20 CHED CC#CCCCC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 466439608 ZLKWIWCKSPIQBM-OLZOCXBDSA-N 289.341 3.665 30 20 CHED Cc1cccc(Oc2ccccc2NC(=O)[C@H](C)C#N)c1 468210184 LOMBQFQJCZBDES-CYBMUJFWSA-N 280.327 3.886 30 20 CHED C[C@@H](NC(=O)N[C@H]1CCCCC1(C)C)c1ccc(C#N)cc1 466200221 ITJYBVYRQFMWLS-CJNGLKHVSA-N 299.418 3.887 30 20 CHED C=CCC[C@H](CC)N[C@@H](COC)Cc1ccccc1 462110471 ULDYUSZQQMWXPJ-DLBZAZTESA-N 261.409 3.579 30 20 CHED C=CCN(c1nnc(C2CCCC2)n1CC(C)C)C1CC1 558633660 CLDZNDSNWZCNFS-UHFFFAOYSA-N 288.439 3.747 30 20 CHED N#Cc1nc(Nc2ccc([C@H]3CCOC3)cc2)ccc1Cl 555237690 KKUBODGRKYZGAU-LBPRGKRZSA-N 299.761 3.854 30 20 CHED COc1cc(CCNc2ccc(F)cc2C#N)ccc1C 462867662 LJGQUCZLCBTUSQ-UHFFFAOYSA-N 284.334 3.669 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 464754802 HSACYNIVYSMZQR-XIRDDKMYSA-N 286.419 3.929 30 20 CHED Cc1cc(NCc2cc3ccccc3o2)cc(C#N)n1 553294789 OOOZWHKETFICTL-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)c1ccc(OC)cc1 464517408 DXYXLMBLTUUNCB-RDJZCZTQSA-N 287.403 3.756 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@@H]1[C@H](C)CC 466396729 AWUJHQNCWNXHJZ-QLFBSQMISA-N 266.429 3.951 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCCc2c(C)cc(C)cc21 289434255 RMXDCIZHENNXHC-KRWDZBQOSA-N 270.376 3.523 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2c(s1)CCCCCC2 465114461 MDWSXKQUMQWFTM-LLVKDONJSA-N 263.406 3.711 30 20 CHED CCCCCN(C(=O)c1cc(C#N)oc1C)C(C)C 280512614 DDBMIXKJFKNSNO-UHFFFAOYSA-N 262.353 3.501 30 20 CHED C=CCOCCNC1(c2ccccc2)CCCCC1 555416969 LWWYDRNZJFYCMO-UHFFFAOYSA-N 259.393 3.638 30 20 CHED N#C[C@H]1CC[C@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 551310795 JFYGHHLUAQNWAB-XUXIUFHCSA-N 274.795 3.868 30 20 CHED C=CCN(C(=O)Nc1nc(C(C)(C)C)cs1)C1CC1 552807341 ZWCSCCVEJUTJRQ-UHFFFAOYSA-N 279.409 3.623 30 20 CHED N#Cc1cccc(C2(N[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)CC2)c1 556409036 OTBNHDXFEJZJFO-VINWQNLFSA-N 292.426 3.962 30 20 CHED CN(Cc1cc(Br)cs1)[C@@H]1CC[C@H](C#N)C1 293601894 VCLRVWMKNCVEFL-GXSJLCMTSA-N 299.237 3.635 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCCC=C(C)C 479849774 RXOYBVXBERUZFM-UHFFFAOYSA-N 290.382 3.880 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 293858024 JMPBPVVLXZIMFB-INIZCTEOSA-N 284.403 3.760 30 20 CHED C#CC[C@@H](NCCSC(C)(C)C)c1ccccc1 801937909 XVIPERFPNTVWOX-OAHLLOKOSA-N 261.434 3.872 30 20 CHED C=C[C@](C)(CC)C(=O)OC[C@H](OC)c1ccccc1 801861096 POORMENDLIYXCD-GOEBONIOSA-N 262.349 3.520 30 20 CHED COc1ccc(CCNN=C2CCC[C@@H]2CCCF)cc1 800812610 HZQVNVSDJICBOK-OAHLLOKOSA-N 292.398 3.733 30 20 CHED COCCCCc1cccnc1N[C@@H]1CCC[C@@H](C#N)C1 291142779 YEZDXRNBUKZQQV-GDBMZVCRSA-N 287.407 3.545 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCc2ccccc2F)cc1 474190304 DFDIASKNDSVIBL-UHFFFAOYSA-N 296.345 3.557 30 20 CHED C=CCCCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F 568522634 WIHQMMXFQAKDAJ-LBPRGKRZSA-N 288.269 3.754 30 20 CHED C=C(Cl)COC(=O)/C=C/Sc1ccccc1 805164178 MRJGZSALMLIPTQ-BQYQJAHWSA-N 254.738 3.588 30 20 CHED C[C@@H]1CC[C@H](C=NNc2nc3cc(F)c(F)cc3[nH]2)C1 800810516 SQHVAFRKZGRXLG-BDAKNGLRSA-N 278.306 3.675 30 20 CHED Cc1ccc2ncc(C#N)c(NC[C@@H]3CCSC3)c2c1 291925558 LVMFVWVUNGEPPQ-LBPRGKRZSA-N 283.400 3.580 30 20 CHED CC1(C)C(=NN[C@@H]2CCSC2)C[C@@H]1c1ccccc1 808002198 WJKWDFPTCZPOSD-ZIAGYGMSSA-N 274.433 3.651 30 20 CHED C[C@@H](C#N)OCCOc1ccc(NC2CCCCC2)cc1 802729765 PUXXWMAKIIYZBM-AWEZNQCLSA-N 288.391 3.739 30 20 CHED C#Cc1ccc(CN(CC)C[C@@H](O)c2ccc(C)cc2)cc1 809581129 JINCZLLPKARJAC-HXUWFJFHSA-N 293.410 3.532 30 20 CHED CC#CCCCC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 569027118 JPKJXMCAJYXINF-GJZGRUSLSA-N 263.425 3.853 30 20 CHED Cc1ccc(CCNc2snc(C)c2C#N)c(C)c1 561148715 VMKUQZFTOXPUAJ-UHFFFAOYSA-N 271.389 3.595 30 20 CHED C=CCCCCNC(=O)Cc1ccccc1C(F)(F)F 471682904 NRPZOCCNISGDKU-UHFFFAOYSA-N 285.309 3.720 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCc1cccc(C(C)C)c1 474182124 HAJNJENZKTZGOZ-SFHVURJKSA-N 289.419 3.655 30 20 CHED C#C[C@@H](NC(=O)[C@@H](CCC)c1ccccc1)C(C)(C)C 807880278 UNVOXTFYVAEDSG-JKSUJKDBSA-N 271.404 3.734 30 20 CHED C[C@H]1CC(C)(C)N(C(=O)CCCC#N)c2ccccc21 291904347 XPVOFSQQQCUTMX-ZDUSSCGKSA-N 270.376 3.999 30 20 CHED N#Cc1ccc(Cc2nc(CC3CCCCC3)no2)cc1 393637667 MCULZZAMIUCIDA-UHFFFAOYSA-N 281.359 3.655 30 20 CHED N#Cc1c(F)cccc1CN(C#N)c1cccc(Cl)c1 488260111 HHSKNQBRDKEZRV-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C=C(C)CN1CCC(N[C@H](C)[C@H](C)CCCC)CC1 567273098 XETORJBXHCEYQD-HZPDHXFCSA-N 266.473 3.831 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)CCCC)c1ccc(Cl)cc1 811950227 ZECSWLUNRGZZAI-WFASDCNBSA-N 277.795 3.957 30 20 CHED C[C@@H](CCNC[C@H](O)c1ccc(C#N)cc1)CC(C)(C)C 819255000 VWFRELBPUBURDX-YOEHRIQHSA-N 288.435 3.644 30 20 CHED CON(Cc1ccc(Cl)cc1)C(=O)CCCCCC#N 812797796 QXTUZWKFPDTQGT-UHFFFAOYSA-N 294.782 3.704 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCc1ccc(C)s1 811526057 PIDUEWDGHVNRKH-UHFFFAOYSA-N 297.423 3.651 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 819631943 HNXAVFXMBVNRAO-HEHGZKQESA-N 270.376 3.622 30 20 CHED C=CCCCCCN1CCC[C@@H](OCC2CC2)C1 488078570 JDGVZNIXHXSKQG-MRXNPFEDSA-N 251.414 3.624 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)[C@@H](C)CCCCC(=O)O 814937931 RUUXTGIOIDFVIZ-WCQYABFASA-N 270.417 3.668 30 20 CHED C#CCOc1cccc(NC(=O)CCc2ccc(C)s2)c1 810368079 OVCZUBJEAKXVOP-UHFFFAOYSA-N 299.395 3.640 30 20 CHED C[C@@H]1C[C@H](C(=O)O)CCC1=NNc1c(F)cccc1Cl 814904875 CIMBNZVHFXGPSW-RKDXNWHRSA-N 298.745 3.768 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1/N=C/c1ccc(O)c(O)c1O 727781495 OOQWBAMKXVRBRO-KCELOSIBSA-N 291.391 3.827 30 20 CHED CC1(C)CC(=NNC[C@@H]2CCSC2)CC(C)(C)C1 811659635 VGDKGLNREZHWET-LBPRGKRZSA-N 268.470 3.921 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(Cl)nc1 815636803 CFMGTADLYXXBJV-NSHDSACASA-N 252.789 3.988 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccccc2C)n1 575940407 JQEDZBUMANBXME-UHFFFAOYSA-N 256.349 3.823 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(CC)cc1 815311228 CELHYVHJUUGUNP-UHFFFAOYSA-N 254.276 3.504 30 20 CHED c1ccc(C(C[C@H]2CCOC2)=NOCCC2CC2)cc1 814244849 DSXYYSPIRRFDMZ-OAHLLOKOSA-N 273.376 3.634 30 20 CHED C#Cc1cccc(NC(=S)NCc2ccc(C)c(F)c2)c1 726452712 WTLNSLPCCHVABG-UHFFFAOYSA-N 298.386 3.602 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1cc(Cl)ccn1 814897800 FLHJIVSHPLXVSN-UHFFFAOYSA-N 277.730 3.905 30 20 CHED CC(C)CC1(CNC(=O)c2cccc(F)c2C#N)CCC1 489670942 ZNVGUHNBCORGHV-UHFFFAOYSA-N 288.366 3.644 30 20 CHED C=CCCCCN(CCC(=O)O)Cc1ccc(F)c(F)c1 576710710 QXKXBLKJGGGQNQ-UHFFFAOYSA-N 297.345 3.598 30 20 CHED C=CCCCC[C@H](C)NCC[C@@H](O)c1ccccc1 824390002 YPVPRQIUMQKDOJ-DOTOQJQBSA-N 261.409 3.835 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1 825321280 BROQYEJERUNPTG-INIZCTEOSA-N 279.383 3.858 30 20 CHED C=CC[C@H]1CCCN(C(=O)NC2CCC(F)(F)CC2)C1 664545949 FZNWABGAAWNSFX-LBPRGKRZSA-N 286.366 3.562 30 20 CHED N#Cc1cc(NC(=O)c2ccc3c(c2)CCC3)ccc1Cl 494696213 YVMGGTYSQSOKET-UHFFFAOYSA-N 296.757 3.953 30 20 CHED C=CCCNC(=O)N1CCc2ccccc2[C@@H]1C(C)C 665946590 QGSCRVUMDFYGDK-INIZCTEOSA-N 272.392 3.528 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1ccccc1 820590801 JDZQALBVEDGRCT-CVEARBPZSA-N 284.403 3.581 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C(/C)C1CC1 729432631 KFJBVJSHFOABHC-QBFSEMIESA-N 262.397 3.521 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 727640444 ZUIYAMARRIQIGT-GUYJKWIASA-N 269.344 3.599 30 20 CHED C#CCN(C(=O)c1cc(SC)oc1C)C1CCCCC1 824325284 KMKABKBEYBNRDH-UHFFFAOYSA-N 291.416 3.718 30 20 CHED C=CCCOC(=O)[C@@H](CC)Sc1ccccc1 732497329 MVSBMMHEXVKKMS-CYBMUJFWSA-N 250.363 3.677 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 733709838 YDAMAHQZKNKTKT-GFCCVEGCSA-N 296.370 3.896 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)CCC#N 588476087 WLKSITOVSBYMMG-KTKRTIGZSA-N 297.185 3.769 30 20 CHED N#C[C@H](C(=O)C1CCSCC1)c1ccc2ccccc2n1 733052949 HEJFSSGYRHTLBX-AWEZNQCLSA-N 296.395 3.554 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@](C)(c2ccccc2)C1)C(=O)O 901692003 HDLSSNZPTVOOKK-RYRKJORJSA-N 287.403 3.506 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cncn1C(C)C)C2=O 901465739 YHIZPHMEKLXDOJ-ZSOIEALJSA-N 266.344 3.595 30 20 CHED O=C(/C=C/c1cccc(Cl)c1)c1csc(C(=O)O)c1 730148929 QABWRBUKNHECPH-SNAWJCMRSA-N 292.743 3.996 30 20 CHED CC(C)n1cncc1/C=C1/CCc2ccccc2C1=O 901416386 GPOOQHCHWFSGNI-ZROIWOOFSA-N 266.344 3.677 30 20 CHED C=CCCCCN[C@@H](COC)c1ccc(Cl)cc1 494786875 HMEFGCQZKDFKQL-HNNXBMFYSA-N 267.800 3.973 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@@](C)(C#N)C2CCCCC2)C1 581092188 YAMBSMBBDLLFQJ-GUYCJALGSA-N 276.424 3.791 30 20 CHED C=CCC1(N[C@H]2CCCCC[C@@H]2C)CCOCC1 668551481 OIKOEEIAEXQBCP-GJZGRUSLSA-N 251.414 3.670 30 20 CHED CS[C@@H]1CCCC(=NNc2cccc(C#N)c2)C1 901163353 HCQHBJDQWHBASR-CQSZACIVSA-N 259.378 3.632 30 20 CHED C=C(CC)CNCc1c(F)ccc(C2OCCO2)c1Cl 830708239 PISYBINYFHFSCS-UHFFFAOYSA-N 299.773 3.580 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](CC)c1ccc(F)cc1F 739266523 AZSGMRNTYBTCNC-IAQYHMDHSA-N 298.329 3.940 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C=C1CCCC1 839891309 MYWBHMNKRYGNMG-KRWDZBQOSA-N 269.388 3.790 30 20 CHED Cc1ccc(C2CC(=NNc3nccnc3Cl)C2)cc1 733079909 WZLJQMXPMOYIPA-UHFFFAOYSA-N 286.766 3.784 30 20 CHED COc1ccc(N(C#N)CCCCC2(C#N)CCC2)cc1 901546002 ATHCEUGTNJMLKX-UHFFFAOYSA-N 283.375 3.847 30 20 CHED CC(=NNC(=S)Nc1ccccn1)[C@H]1CCCC[C@H]1C 834966105 YIIURPMBWFLMQL-YPMHNXCESA-N 290.436 3.570 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 835038673 XXBOFNAJEQFGLM-SNUQEOBHSA-N 295.386 3.576 30 20 CHED C=CC(C)(C)COC(=O)c1cc2ccccc2n1CC#N 835724882 QVTOSIJFEXKRLQ-UHFFFAOYSA-N 282.343 3.534 30 20 CHED Cc1ccc2c(c1)C(=NNc1nncc3ccccc13)CC2 730946469 XMRRILAXJGDVPK-UHFFFAOYSA-N 288.354 3.701 30 20 CHED C=C(CNC(=O)COc1ccc(C)c(C)c1)c1ccccc1 672479730 GKBHQAPFJMVLLN-UHFFFAOYSA-N 295.382 3.512 30 20 CHED C=CCCOCC(=O)Nc1cc(-c2ccccc2)cnc1C 677672874 NWZMJUHDLGAHFY-UHFFFAOYSA-N 296.370 3.588 30 20 CHED CC[C@H](C#N)Sc1nc2cc(F)ccc2s1 918884654 XLPZALIOTKTXPJ-MRVPVSSYSA-N 252.339 3.830 30 20 CHED CC(C)(C)CCCC(=O)O[C@H]1CCC[C@H](C#N)C1 839053524 SWMCQQXNSAKZQE-STQMWFEESA-N 251.370 3.828 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@@]1(C)CCC[C@H]1C 835336467 GYRZZDBSNYHFSH-BMFZPTHFSA-N 268.397 3.585 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccnc(-c3ccccc3)c2)C1 599087498 IDKUDGHGICWNBG-QAPCUYQASA-N 291.398 3.921 30 20 CHED Cc1cccnc1[C@H](NCCc1ccc(C#N)cc1)C(C)C 595370971 MMRCWTSDYUEBOG-GOSISDBHSA-N 293.414 3.791 30 20 CHED CC(C)(C)C#CC(=O)NC(C)(C)CCc1ccccc1 837390525 HJIZBOOOHNOOEK-UHFFFAOYSA-N 271.404 3.564 30 20 CHED CC[C@H](C#N)C(=O)N1CC2(CCCC2)c2cccc(F)c21 593657171 ILYFPTMXCVWTEH-GFCCVEGCSA-N 286.350 3.534 30 20 CHED CC(CCc1ccc(O)cc1)=NOCc1ccccc1 839420132 WXWAYFGPESICPU-UHFFFAOYSA-N 269.344 3.918 30 20 CHED CCN(C(=O)c1cc(F)c(Cl)cc1Cl)[C@H](C)C#N 598348503 AYTKVODRYVKEFY-SSDOTTSWSA-N 289.137 3.507 30 20 CHED CC(=NOCc1ccccc1)c1cccc([N+](=O)[O-])c1 839418888 GODDXFYWOUMORG-UHFFFAOYSA-N 270.288 3.536 30 20 CHED N#CCC1(COC(=O)c2cc3c(s2)CCCCC3)CC1 744276085 LMFYZUGJUQJGDC-UHFFFAOYSA-N 289.400 3.868 30 20 CHED Cc1ccc(C#N)cc1-c1ccccc1OC[C@H]1CCOC1 592987300 XOMFDWFDTIRJBL-INIZCTEOSA-N 293.366 3.949 30 20 CHED C[C@@H](CC(=O)OCC1(CC#N)CC1)c1ccc(F)cc1 744275431 GDUAZBJGXSDXNW-LBPRGKRZSA-N 275.323 3.556 30 20 CHED CC(C)CC1(NC(=O)c2ccc(C#N)c(Cl)c2)CC1 598403615 GPCVHORZKKGZGY-UHFFFAOYSA-N 276.767 3.520 30 20 CHED CCN(Cc1ccc(OC(C)C)c(Cl)c1)[C@@H](C)C#N 595821083 SYGWAKAWIPTEIR-LBPRGKRZSA-N 280.799 3.861 30 20 CHED C#C[C@H](OC(=O)C1(CCOCC)CCC1)c1ccccc1 842365553 QHNSLPFENJMWHQ-INIZCTEOSA-N 286.371 3.501 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1ccc(C3CC3)cc1)C2=O 840721552 XZQNOIGDSSGBRS-GDNBJRDFSA-N 278.355 3.510 30 20 CHED C[C@@H](CCc1ccccc1)CN1CCC[C@@H](CC#N)C1 597176246 GWHILJYMMRKDOY-WMZOPIPTSA-N 270.420 3.881 30 20 CHED COc1cncc(/C=C\C(=O)c2cc3c(s2)CCCC3)c1 849247343 RSXNGMQGJDDQCE-SREVYHEPSA-N 299.395 3.927 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccccc1SC(C)C 844562215 BUQJFACPHAWSEM-NSHDSACASA-N 280.393 3.815 30 20 CHED C=C(Cl)CSc1n[nH]c(/C=C\c2ccc(C)o2)n1 842143911 DXKMWFKLDIGNLA-WAYWQWQTSA-N 281.768 3.721 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(CC#N)c1 596925155 CSFWVGQIDKJRBE-UHFFFAOYSA-N 271.364 3.619 30 20 CHED Oc1ccccc1/C=N/Cc1ccccc1Br 745624944 PWBXDMOVSJDYEC-MHWRWJLKSA-N 290.160 3.774 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/Cc1cccc(F)n1 747690215 FDKWNWWBOZSMIP-UBKPWBPPSA-N 299.132 3.852 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCC[C@H](C3CC3)C2)cc1 742376971 JJPPZLMPIAJYFW-ZWKOTPCHSA-N 283.415 3.757 30 20 CHED CC1(C)C[C@@H](C/N=C/c2cc(Cl)ccc2O)CCO1 840711621 XZCKYWPMQIWDMB-MUOOZZNISA-N 281.783 3.670 30 20 CHED Cc1ccoc1C=NNCc1ccc(C(F)(F)F)cc1 743436701 BHAYPOWUYWOVKZ-UHFFFAOYSA-N 282.265 3.731 30 20 CHED C=C(CNC(=O)C(C)(C)c1ccc(F)cc1)c1ccccc1 673343312 JCRHPBXKPIWOAZ-UHFFFAOYSA-N 297.373 3.933 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)CCCCCC#N 590874595 AHTCBCQTZLJFHR-HOCLYGCPSA-N 264.413 3.599 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)C1CCC1 747633137 UEKWRAQXMCBIHC-UHFFFAOYSA-N 257.259 3.688 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1ccncc1C#N 592096725 CWPJHQJVSQZMPS-KBRIMQKVSA-N 271.408 3.504 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C(/CC)c1ccc(C)cc1 741694264 GPWZMDDKLSZKMK-QAALXFNPSA-N 257.377 3.869 30 20 CHED CSCCCCCNC(=O)CC1(C#N)CCCCC1 597529178 BOFDHKIJEKZVSB-UHFFFAOYSA-N 282.453 3.500 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 916244837 ALIJTUUCPGUTKU-UHFFFAOYSA-N 269.304 3.739 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc21 917093724 NNOLXCIKDRRLQU-LBPRGKRZSA-N 293.326 3.590 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccnn2CC2CC2)c1 849242414 FTLJIJNIUZYLPB-FPLPWBNLSA-N 280.371 3.806 30 20 CHED N#CC1(CSCc2nc(Cc3ccccc3)no2)CCC1 591381016 FTVGKJIMHSZNRU-UHFFFAOYSA-N 299.399 3.587 30 20 CHED C=CCCSCCN[C@H]1CCCOc2ccccc21 595060180 UDEHDNAAKYMLBZ-HNNXBMFYSA-N 277.433 3.799 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 593648218 VFFGQSKPDDAIOU-FIQHERPVSA-N 289.404 3.535 30 20 CHED CC/C(=C\C(=O)NC1(C#N)CCC1)c1cccc(Cl)c1 744481885 KQXMEGDQSFJXNJ-ZRDIBKRKSA-N 288.778 3.696 30 20 CHED CCc1ccc2nccc(N3CCC[C@](C)(C#N)C3)c2c1 590697174 PAGLYERBUILUKF-GOSISDBHSA-N 279.387 3.927 30 20 CHED Cc1cccc(NC(=S)N[C@@H](C)c2cccc(C#N)c2)c1 743059363 FLJUFGWXNHBETL-ZDUSSCGKSA-N 295.411 3.914 30 20 CHED N#CC[C@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 595610440 YRSPSCCIBKHSGX-CYBMUJFWSA-N 299.349 3.606 30 20 CHED CCCC[C@@H](NC(=O)[C@H](C#N)CC)c1ccc(OC)cc1 593451572 LRZXVXVZMQOXHF-XJKSGUPXSA-N 288.391 3.592 30 20 CHED CC[C@@H](O)CNN=C1CCC[C@H](c2ccc(Cl)cc2)C1 841640235 YCBZODAGLVDHJB-XJKSGUPXSA-N 294.826 3.714 30 20 CHED C(=NNc1cnc2ccccc2n1)c1coc2ccccc12 746575447 HGKAXVPUJJFWGN-UHFFFAOYSA-N 288.310 3.822 30 20 CHED CCCNN=Cc1ccc(-c2ccccc2OC)cc1 741460355 OLVIOOOUPDIVSC-UHFFFAOYSA-N 268.360 3.696 30 20 CHED C=CCCOCC(=O)N1CCCC2(CCCCC2)CC1 682566153 PMBBVGVQDWIAQC-UHFFFAOYSA-N 279.424 3.542 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc2c(c1)CCC2)OCC 756477268 OLDCVQGZPAHTNO-QGZVFWFLSA-N 288.387 3.590 30 20 CHED Cc1ccccc1SC[C@H](C)COC(=O)CCCC#N 859700824 LFTXOVGOYHVPOZ-CYBMUJFWSA-N 291.416 3.960 30 20 CHED C=CCCCCCCCNC(=O)C1(c2cccnc2)CC1 752983204 JSTAOXANDJGWNM-UHFFFAOYSA-N 286.419 3.756 30 20 CHED Cc1nc2ccc(N=Cc3cccc(O)c3O)cc2s1 920943226 TWHBMXZZNBQFHS-UHFFFAOYSA-N 284.340 3.767 30 20 CHED COc1cccc(NN=Cc2c[nH]nc2-c2ccccc2)c1 755607990 GDVVIAONLANTDG-UHFFFAOYSA-N 292.342 3.531 30 20 CHED C#C[C@H](CC)NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 753274232 XPOWTIFVHAFIFB-CGTJXYLNSA-N 298.430 3.624 30 20 CHED Clc1cc(NN=C2CCN(C3CCCC3)CC2)ccn1 853393781 BRYGTDXYFGYXPF-UHFFFAOYSA-N 292.814 3.541 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccccc1F 920385973 MIDNEAWWHRLISL-LBPRGKRZSA-N 256.324 3.901 30 20 CHED CS/C=C/C(=O)Nc1cccc(C#Cc2ccccc2)c1 751533411 PETXJBMHDVSMOD-OUKQBFOZSA-N 293.391 3.902 30 20 CHED CC(C)(C#N)CCOC(=O)c1scnc1C1CCCC1 759758013 QDKIBOSUGZADLI-UHFFFAOYSA-N 292.404 3.897 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CC1(C)CC1 759424362 ATCXLJHWZZMZMD-ZDUSSCGKSA-N 294.354 3.558 30 20 CHED C=CCCCc1nc(-c2cnccc2C(F)(F)F)no1 854099290 QFUBGMXLBBIQLI-UHFFFAOYSA-N 283.253 3.659 30 20 CHED COCCOc1cccc(/C=C2\CCCC(C)(C)C2=O)c1 757536091 ZXVMJGOBYCPKSG-NTCAYCPXSA-N 288.387 3.874 30 20 CHED N#CCCCCOC(=O)CC(C1CCC1)C1CCC1 859825348 WCNOLCVVEBHBKG-UHFFFAOYSA-N 263.381 3.830 30 20 CHED CCCCCCCOc1ccc([N+](=O)[O-])cc1OC 750960362 RYXDYIMWEQMNIY-UHFFFAOYSA-N 267.325 3.953 30 20 CHED CC(CC(C)(C)C#N)=NNc1cccc2cnccc12 853302651 KJPODRHUCDUCQE-UHFFFAOYSA-N 266.348 3.962 30 20 CHED C#CCCSc1ncc(C(F)(F)F)cc1Cl 751732718 UOGKTXQSIIVMSX-UHFFFAOYSA-N 265.687 3.869 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1SC(F)(F)F 757012483 JXNAGSNNZCLFBG-QMMMGPOBSA-N 275.295 3.603 30 20 CHED CCCCCCCCNC(=O)NCCc1ccncc1C 755074265 GGMAXOWSXOWYLZ-UHFFFAOYSA-N 291.439 3.592 30 20 CHED Cc1cc(Cl)ncc1OCc1ccc(C#N)cc1F 753831521 RSPHOBMNGVMZFB-UHFFFAOYSA-N 276.698 3.633 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc2ccoc12 935698386 QNFMHSZKDMKQBK-CYBMUJFWSA-N 273.307 3.753 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C=C/C(=C/C)CC 765658836 PFHVCBJBFCVXAY-XQCUBCESSA-N 287.334 3.689 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 933015647 UIVSOPFSGYDTBD-QIIPPGSGSA-N 284.403 3.687 30 20 CHED C=C(C)C[C@H](NCc1c(Cl)cccc1Cl)C(=O)O 864530560 GIJSYXIQHWPBQP-LBPRGKRZSA-N 288.174 3.502 30 20 CHED C#CCOc1ccccc1CNCc1ccc(Cl)cc1C 766437035 FRNBTMCOJHYNEF-UHFFFAOYSA-N 299.801 3.950 30 20 CHED N#CC[C@H](CC(=O)OCCCc1ccco1)c1ccccc1 861019129 RMGPILFCRMQITH-MRXNPFEDSA-N 297.354 3.843 30 20 CHED CCc1ccccc1NN=Cc1sccc1OC 764684467 XSOPDCKGWRHRLD-UHFFFAOYSA-N 260.362 3.765 30 20 CHED CS/C=C/C(=O)Nc1sc2c(c1C#N)CCCCC2 764222778 MDFHLMYVSJHEII-BQYQJAHWSA-N 292.429 3.704 30 20 CHED C=C(Br)CN(C)[C@H](C)c1ccc(OC)cc1 57752647 BMTPBYAQQOGTBI-LLVKDONJSA-N 284.197 3.597 30 20 CHED Cc1cccc(/C=C2\CCc3scnc3C2=O)c1C 863196549 NEVIOWDDGWPFGN-MDWZMJQESA-N 269.369 3.972 30 20 CHED Cc1cccc(/C=C2/CCc3scnc3C2=O)c1C 863196548 NEVIOWDDGWPFGN-JYRVWZFOSA-N 269.369 3.972 30 20 CHED Clc1scc(C=NOC2CCOCC2)c1Cl 761826424 BPJNFMHSXNYGBT-UHFFFAOYSA-N 280.176 3.584 30 20 CHED C#C[C@@H](C)N(C)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 767231528 GOQXMQIQPVNAPN-CYBMUJFWSA-N 291.822 3.779 30 20 CHED CCCCCCCCNC(=O)N1CC[C@@H](C2CC2)C1 763534213 GJVWONYGXZPPMT-OAHLLOKOSA-N 266.429 3.788 30 20 CHED Cc1c([C@@H](C)NCc2ccc(C#N)cc2)cccc1[N+](=O)[O-] 765011448 BRTRHRJXSAPANA-CYBMUJFWSA-N 295.342 3.626 30 20 CHED COc1ccsc1/C=C\C(=O)C1CCCCC1 764432105 IBPPFQVLUBUXEB-FPLPWBNLSA-N 250.363 3.919 30 20 CHED C[C@@H](OC(=O)[C@H](F)c1ccccc1)c1ccc(C#N)cc1 769306581 LUYPJZWTJZAUKY-MLGOLLRUSA-N 283.302 3.873 30 20 CHED CO[C@@H](C(=O)OCCCCC(C)(C)C#N)c1ccccc1 768594273 IFATVFORFZOOJQ-OAHLLOKOSA-N 289.375 3.637 30 20 CHED C#CC[C@@H](Nc1nc2ccccc2n1C)c1ccccc1 762553523 VTCFTRMHJFMBRJ-OAHLLOKOSA-N 275.355 3.750 30 20 CHED CC1(C(=O)OCCC2(C#N)CCCCC2)CC(F)(F)C1 873442415 OOYNIZRYUFHWNV-UHFFFAOYSA-N 285.334 3.829 30 20 CHED C#CC[C@@H](OC(=O)[C@@H](CC)CCC)c1ccccn1 873502903 HAXNHJWPEPDIMG-DZGCQCFKSA-N 259.349 3.516 30 20 CHED C=CC(C)(C)CC(=O)N1CCC=C(c2ccccc2)C1 879908975 YFLHRRUOHZENMR-UHFFFAOYSA-N 269.388 3.905 30 20 CHED Cc1ccccc1SC[C@H](C)CN[C@H](C)CC#N 878819684 AOMPMJZXLKWXED-TZMCWYRMSA-N 262.422 3.615 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)[C@H](C)CC)c1 779914867 IQCXKCIBXCEKMN-KGLIPLIRSA-N 257.377 3.703 30 20 CHED CCC[C@@H](CC)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 873967577 LYQZGCGZSFBVFW-MRXNPFEDSA-N 284.403 3.876 30 20 CHED CCCN(Cc1ccc(C#N)c(C)c1)Cc1ccccc1O 774869516 LTJIRQLHVNHURB-UHFFFAOYSA-N 294.398 3.985 30 20 CHED C#CCCCCCC(=O)Nc1ccc(F)cc1OC(F)F 779962386 CZFBYUNJYJFRGR-UHFFFAOYSA-N 299.292 3.949 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc2c(c1)COC2 778996361 MKBDEFJCDGELLD-UHFFFAOYSA-N 283.371 3.541 30 20 CHED C=CCC[C@@H](NC(=O)NCC(=C)Cl)c1ccccc1 771988324 WEFNKGPAWHUFFI-CQSZACIVSA-N 278.783 3.746 30 20 CHED N#C[C@H](OC(=O)c1cccc(F)c1F)C1CCCCC1 776382718 YEWULELJJVRKBO-ZDUSSCGKSA-N 279.286 3.594 30 20 CHED C=C(C)CCC(=O)N1CCc2ccc(Cl)cc2C1 1120714197 FXUOMVCBHSFZKX-UHFFFAOYSA-N 263.768 3.581 30 20 CHED C=C(CC)COC(=O)C(C)(C)c1ccc(F)cc1 773517624 QOVJESCYOPDEKC-UHFFFAOYSA-N 250.313 3.613 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C#N)cn1 889225088 HCRPGKKZXHWQFA-UHFFFAOYSA-N 298.390 3.553 30 20 CHED O=C1c2ccccc2CN1N=Cc1cc2cc(F)ccc2o1 781596575 FSIYJXXYUYMLBA-UHFFFAOYSA-N 294.285 3.562 30 20 CHED C[C@H]1CCC(=NNc2ncncc2Cl)c2ccccc21 780279740 PFLUNPSXIWSJKY-JTQLQIEISA-N 286.766 3.844 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccncc1 1121122118 ADCVXYMGVRTACG-DLBZAZTESA-N 286.419 3.828 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1c(C)cc(C)cc1F)OCC 785917096 IGVVMSQOZVYDJM-MRXNPFEDSA-N 294.366 3.857 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 896503293 MOZNIXBXZWZJTF-NSHDSACASA-N 286.272 3.580 30 20 CHED C[C@@H](NN=Cc1scnc1C1CC1)c1ccccc1 782202061 WPTWWBDEQAIGFR-LLVKDONJSA-N 271.389 3.705 30 20 CHED N#C[C@H](C(=O)c1cc2cccc(Cl)c2o1)c1ccccn1 783068661 ICIAFNGEVMLZON-NSHDSACASA-N 296.713 3.971 30 20 CHED Cc1cccc2c1OCC[C@H]2OC(=O)c1cc(C#N)cs1 789498405 RJSUXLAJHOZMOF-CYBMUJFWSA-N 299.351 3.609 30 20 CHED N#Cc1ccc(N2CCC3(CC2)CC3(F)F)cc1Cl 404966346 XQOMLBJXOCKQKS-UHFFFAOYSA-N 282.721 3.837 30 20 CHED CC(C)C[C@@H]1CCCC(=NNCCOC(C)C)C1 794526631 NIFKBGVHTBIGGS-AWEZNQCLSA-N 254.418 3.593 30 20 CHED N#C[C@@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)C1 896501708 HSAGHKCMELOLJJ-JTQLQIEISA-N 286.272 3.580 30 20 CHED C[C@@]1(C=NNc2ccc([N+](=O)[O-])cc2Cl)CCCS1 793005512 VKGQVZKDPMOPGZ-LBPRGKRZSA-N 299.783 3.932 30 20 CHED C=CCC1(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 792525672 UZJZXEFMZYBZAX-UHFFFAOYSA-N 294.738 3.933 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1)c1ccnc(F)c1 794721430 ZEQXBFHUTPVVHO-UTCJRWHESA-N 261.683 3.770 30 20 CHED O=C(/C=C\c1sccc1Cl)c1ccnc(F)c1 794718807 LZWVPFQGHDJHFY-UPHRSURJSA-N 267.712 3.832 30 20 CHED O=C1/C(=C/c2cccs2)CCc2ccc(O)cc21 794960702 WRZVTASDPHINIF-DHZHZOJOSA-N 256.326 3.666 30 20 CHED Clc1cccc(NN=Cc2csc(C3CC3)n2)n1 793176189 ZNXOMIUFVYTQDN-UHFFFAOYSA-N 278.768 3.515 30 20 CHED CCc1ccccc1NN=C1CCCC12CCOCC2 799874823 BIDJDYZSODNYMJ-UHFFFAOYSA-N 272.392 3.998 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc(Cl)ccc1SCC 791741133 JTXKQEREQDGKIQ-GFCCVEGCSA-N 295.835 3.984 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(-n2cccn2)cc1 796461216 BNQTUHBNXZFMFX-UHFFFAOYSA-N 284.359 3.518 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1C#N 799495005 MOSDVFHIKXZTNF-CLTKARDFSA-N 299.276 3.741 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(NC(=O)C(C)C)cc1 796962959 IBLPXORLEBNPBR-UHFFFAOYSA-N 289.375 3.789 30 20 CHED CCn1nccc1/C=C/C(=O)c1cccc(CC(C)C)c1 794722999 BDKYCIVNUNOZBC-CMDGGOBGSA-N 282.387 3.998 30 20 CHED CC[C@@H](C)CCC(=O)[C@@H](C#N)c1nc2ccccc2o1 796816782 KGPAXQLDHYRZIW-VXGBXAGGSA-N 270.332 3.830 30 20 CHED CCC[C@@H]1CCCN(C(=O)c2ccc(C)c(C#N)c2)C1 799348783 PDNLXUIFAHMCDN-CQSZACIVSA-N 270.376 3.519 30 20 CHED CO[C@]1(C)CCCN(c2nc3ccccc3cc2C#N)CC1 795261545 UHYVMKCZWKUGCM-GOSISDBHSA-N 295.386 3.502 30 20 CHED C=C(C)CN(CC(=C)Cl)Cc1cnn(C(C)C)c1 796450088 KCDANJULPRLDJF-UHFFFAOYSA-N 267.804 3.595 30 20 CHED C=C[C@H](OC(=O)c1ccc(C)c(NC(C)=O)c1)C(C)(C)C 798906874 RFCWODAZHAUCNK-HNNXBMFYSA-N 289.375 3.711 30 20 CHED C#C[C@H](NC(=O)C1(c2cccs2)CCCCC1)C(C)C 799045584 KWZZSMZIPPLNSR-AWEZNQCLSA-N 289.444 3.724 30 20 CHED C=CCCOCCCCC(=O)Oc1ccc2cccnc2c1 791848033 AGMPJMAECGZJDL-UHFFFAOYSA-N 299.370 3.903 30 20 CHED C=CC[C@@H]1CCCN(Cc2csc(C3CC3)n2)C1 661381434 KTCCZSTZHAIBEX-GFCCVEGCSA-N 262.422 3.809 30 20 CHED C#Cc1cccc(NC(=O)C2CCC(C)(C)CC2)c1 768560802 SFCMMYNCJCAZOW-UHFFFAOYSA-N 255.361 3.823 30 20 CHED N#Cc1cccnc1NCC1(c2ccccc2F)CCC1 1307158022 VDJNVMAUYAWYGH-UHFFFAOYSA-N 281.334 3.626 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1ccc(C#N)cc1C 1307520630 YSYCIISFAORIMV-HNNXBMFYSA-N 292.382 3.963 30 20 CHED N#Cc1cc(F)cc(NCc2ncccc2C(F)(F)F)c1 1308491194 KXICJFFNMSHQIF-UHFFFAOYSA-N 295.239 3.723 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CC2(CC#N)CC2)C1(CC)CC 1167820275 SBIQOTYOHIYNSF-HUUCEWRRSA-N 278.440 3.596 30 20 CHED Cc1ccc(NC(=O)NC[C@H](C)C#N)c(Cl)c1Cl 1319558532 UZRRXQQXLDIWSC-SSDOTTSWSA-N 286.162 3.583 30 20 CHED CCCCCCC[S@@](=O)Cc1nc(C)sc1C 1319414180 ZVAREJLINLUGPQ-QGZVFWFLSA-N 273.467 3.979 30 20 CHED CN(C)c1cccc(Cl)c1CNc1ccc(C#N)cc1 1320704246 YAOQBEJHVUSPNN-UHFFFAOYSA-N 285.778 3.890 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1cncc(F)c1 1323207269 VNBJEJKHIATGOZ-FNORWQNLSA-N 267.303 3.606 30 20 CHED Cc1nnc(NCc2cccc(C(F)F)c2)c(C#N)c1C 1323118930 LFICAOZUVDJDFS-UHFFFAOYSA-N 288.301 3.515 30 20 CHED CO[C@@H](C(C)=NNCc1ccc(F)cc1)c1ccccc1 1324773962 ZZWFMCHAMUBHKS-KRWDZBQOSA-N 286.350 3.679 30 20 CHED Cc1nc(Oc2cnc(F)cc2Cl)c(Cl)cc1C#N 1327618268 XKSPCKBORAFSGI-UHFFFAOYSA-N 298.104 3.895 30 20 CHED Cc1cc(CN2CCC(C(C)C)CC2)ccc1C#N 1621118322 MCBXHFRNDDUADD-UHFFFAOYSA-N 256.393 3.735 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)s1)c1ccc(F)cc1 1323719392 VYWMHLUBZICOEA-ZDUSSCGKSA-N 288.347 3.640 30 20 CHED C[C@H](NC(=O)N[C@@]1(C)CCCC[C@@H]1C)c1cccc(C#N)c1 1248681331 FNWBOGJUDSQQJA-DEYYWGMASA-N 299.418 3.887 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)/C=C\c1ccc(SC)s1 1338330188 VRIQOHGMJJHKOU-JYKYSHPRSA-N 294.445 3.634 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCCC(F)F 1334813165 MKRFKUPUHOVJMH-CQSZACIVSA-N 264.319 3.571 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Cc1ccc(O)c(Cl)c1 1337551493 QIVZERNTNMIFOR-ZDUSSCGKSA-N 293.794 3.545 30 20 CHED N#CCc1cccc(NC(=O)N[C@@H]2CCc3ccccc32)c1 1192993014 FKSZIVBYCWTHSL-QGZVFWFLSA-N 291.354 3.562 30 20 CHED C#Cc1ccc(COC(=O)C2(c3cccc(F)c3)CC2)cc1 1344414459 OXYAMTKNQCWCSQ-UHFFFAOYSA-N 294.325 3.582 30 20 CHED Cc1ccc(-c2nnc(C3(c4cccc(C#N)c4)CC3)o2)o1 1345986532 CATQVOASAFQKMB-UHFFFAOYSA-N 291.310 3.590 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2cccc(F)n2)c2c1CCC2 1344655260 KCFRSFYYOOOZQD-OAHLLOKOSA-N 294.329 3.508 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)C(C)C)c1cccs1 1345102916 HSZDSQUZESXODM-CMPLNLGQSA-N 251.351 3.538 30 20 CHED Cc1csc(C(=O)Nc2cc(C#N)ccc2F)c1Cl 1275425665 LACVERAAYIHUEC-UHFFFAOYSA-N 294.738 3.973 30 20 CHED C[C@H](C#N)COC(=O)c1ccc(-c2ccccc2)s1 1342557982 LRLUCFUPQDSJJM-LLVKDONJSA-N 271.341 3.732 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)CCc2ccc(C#N)cc2)[C@@H]1C 1435779445 RBOLJTXDSLYNFD-CPUCHLNUSA-N 285.387 3.859 30 20 CHED N#CCc1ccc(NC(=O)c2cccc3ccncc23)cc1 1353515299 RTCVBNVNXLEREY-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=C[C@H](CC)CC(=O)OCc1nccn1Cc1ccccc1 1356158609 ZGIOZVYRRKBVOV-OAHLLOKOSA-N 298.386 3.577 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(-n3cccc3)c2)C1 1436649827 RIFAXJPPMXVEFW-WMLDXEAASA-N 294.354 3.716 30 20 CHED Cc1ccc([C@H](O)CNc2ccc(C#N)c(Cl)c2)cc1 110203226 YLFGJIPNCGJZNA-MRXNPFEDSA-N 286.762 3.666 30 20 CHED CCc1cc2c(NCC(C)(C)CC#N)nc(C)nc2s1 1458426350 HYDJTDHYBIYGFN-UHFFFAOYSA-N 288.420 3.914 30 20 CHED Cc1cc(F)cc(NC(=O)c2cc(C#N)ccc2C)c1 1525475969 NGZZZKJCNDWOLL-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1cc(C(=O)Nc2cc3ccccc3cc2C#N)co1 1528322199 JXQVFJLINVLQAR-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C=C[C@H](CC(=O)O[C@H](C)CCCOC)c1ccccc1 1520005062 KHHUBOCASQBCQV-HUUCEWRRSA-N 276.376 3.705 30 20 CHED CCOCc1cccc(NC(=O)c2cc(C#N)ccc2C)c1 1527709011 WELODMUJOCDQQG-UHFFFAOYSA-N 294.354 3.656 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccccc1C1CC1)CC2 1459889962 RJOXBIMSAATQTI-UHFFFAOYSA-N 274.367 3.998 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2oc(C(=O)O)cc2c1 1609190124 ZIORLWZJSDUQIR-UHFFFAOYSA-N 287.315 3.672 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C2(C3CCCCC3)CC2)C1 1535479537 TZCLZGSQPMDSKJ-HIFRSBDPSA-N 275.392 3.972 30 20 CHED C[C@H](C#N)CN(C[C@@]1(C)C[C@@H]1c1ccccc1)C1CC1 1474359068 OPLFIUFCHFVYAM-ZTFGCOKTSA-N 268.404 3.804 30 20 CHED CCC[C@@H](Nc1ncc(C#N)cc1F)C1CCCC1 1559209462 BKEDRQHMFBSVJP-CQSZACIVSA-N 261.344 3.863 30 20 CHED CCC[C@@H](CCc1ccccc1)N=c1cc[nH]c(C#N)c1 1559115080 NHBVPVDOXXVTGI-INIZCTEOSA-N 279.387 3.589 30 20 CHED CC[C@@H](C#N)NC(=O)c1sc2ccccc2c1Cl 120120686 ZDVQFHLHUVOWLC-QMMMGPOBSA-N 278.764 3.587 30 20 CHED N#CCc1cccc(NCCc2ccc(F)cc2F)c1 1652483273 NDZJUOKQHVJDDY-UHFFFAOYSA-N 272.298 3.685 30 20 CHED C[C@@H](CNc1n[nH]cc1C#N)Cc1ccc(C(C)(C)C)cc1 1656220861 FTYZUEOKDVWDQQ-CYBMUJFWSA-N 296.418 3.870 30 20 CHED CC[C@@H](NCc1cccc(F)c1C#N)C1CCCC1 1659209372 AWWMSYLBFSAMQD-MRXNPFEDSA-N 260.356 3.756 30 20 CHED Cc1nc(Sc2nc(C#N)c(Cl)s2)sc1C 1650795721 AFCSLDPSIIHANC-UHFFFAOYSA-N 287.822 3.893 30 20 CHED CCN(CCOc1ccccc1C#N)[C@H]1CCCC[C@H]1C 1653296519 PTPZIIVOARMRSB-WBVHZDCISA-N 286.419 3.838 30 20 CHED CCCCCSCCC(=O)Nc1cccc(C#N)c1 231604140 JBYFRJSVQMPJLG-UHFFFAOYSA-N 276.405 3.810 30 20 CHED C=CC[C@H](CC(C)C)C(=O)Nc1cccc(C(=O)O)c1 1776151935 KKVCQLUHHZQSHB-GFCCVEGCSA-N 275.348 3.562 30 20 CHED O=C(O)c1ccc(NN=CCCC2CCCC2)cc1 1776014474 SBRWUOWNVOZXOA-UHFFFAOYSA-N 260.337 3.753 30 20 CHED CC(C)C[C@@H]1CCC1=NNc1ccccc1C(=O)O 1776032113 NYNQONOFAIUJAZ-NSHDSACASA-N 260.337 3.609 30 20 CHED O=C(O)Cc1ccc(NN=C2CCC[C@H](C(F)F)C2)cc1 1776085279 AUCFXFLSJRSTRG-NSHDSACASA-N 296.317 3.537 30 20 CHED Cc1ccc(Cl)cc1NN=C1CC[C@H](CC(=O)O)[C@@H]1C 1776106538 KFFNWBCYNQAQEL-WDEREUQCSA-N 294.782 3.937 30 20 CHED CCOc1ccc(Nc2cccc(F)c2C#N)cc1F 134489796 GYTGIUXOUINPGN-UHFFFAOYSA-N 274.270 3.979 30 20 CHED C=CCc1cc(OC)cc(CN2CCC3(CCC3)C2)c1O 164488136 AOUGXWZZQZNDLH-UHFFFAOYSA-N 287.403 3.505 30 20 CHED Cc1noc(C)c1CCN(Cc1ccc(C#N)cc1)C(C)C 165098616 BSMWDRXATHJAAD-UHFFFAOYSA-N 297.402 3.616 30 20 CHED C[C@H](C#N)Oc1ccc(CNCCCC(C)(C)C)cc1 152742674 LNFSLNAYABXBBF-CQSZACIVSA-N 274.408 3.893 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1OC 8322399 BOORPYRASRCOSL-VQHVLOKHSA-N 298.338 3.696 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)Nc1sccc1C#N 157385744 LTUVFHWLEIFPMN-NSHDSACASA-N 292.404 3.686 30 20 CHED Cc1cc(C)cc(/C=C2\Cc3c(O)cccc3C2=O)c1 207715860 YPHIHODZJDGLNA-NTEUORMPSA-N 264.324 3.831 30 20 CHED N#Cc1ccc(CSCCOC2CC2)c(Cl)c1 902579848 FTQUORCJGFJKSL-UHFFFAOYSA-N 267.781 3.624 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NCc1cccc(C#N)c1 155898658 MHJWFCCDRTUMJA-CZUORRHYSA-N 256.393 3.863 30 20 CHED N#Cc1cccc(CNCc2cc3ccccc3o2)c1 37501686 GMSIIODNKHIYAU-UHFFFAOYSA-N 262.312 3.594 30 20 CHED COc1cccc(F)c1NCCCC(C)(C)C#N 184552679 NZDRDSRFHTWLEM-UHFFFAOYSA-N 250.317 3.576 30 20 CHED CC(C)(C#N)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 187341091 HYNASWZMEWTSJX-CHWSQXEVSA-N 264.413 3.647 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC[C@H](F)C1 567853836 PWWHYRRKGFKHGE-GJZGRUSLSA-N 263.356 3.622 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H](C3CC3)C2)cc1F 404688995 QRNZFAHYBSSBCM-HOCLYGCPSA-N 272.367 3.756 30 20 CHED CC(C)CN(c1nc(C(F)(F)F)ccc1C#N)C1CC1 78833533 UHFDDBWKUFDVOI-UHFFFAOYSA-N 283.297 3.597 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC)cc1Cl 466400568 VTMMKCBBKMQOKS-GFCCVEGCSA-N 253.773 3.793 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N1CCC[C@H](C#N)C1 701214713 AUODATMEVZRTPW-HUUCEWRRSA-N 262.397 3.521 30 20 CHED C=C[C@@H](CO)N[C@H](CC)c1ccc(Cl)cc1Cl 353565899 LHEVZXURMVIORT-GXFFZTMASA-N 274.191 3.581 30 20 CHED C=C(C)COCCNCc1ccc(C2CCC2)cc1 573820014 ACKBIUZAVRDJHY-UHFFFAOYSA-N 259.393 3.636 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)[C@H](C)C2CC2)c1 171274807 XZAALTPDKHFYCB-CYBMUJFWSA-N 288.391 3.904 30 20 CHED C[C@H](SCc1noc(C2CC2)n1)c1ccc(C#N)cc1 177852290 QTKIPHIIWITDSM-JTQLQIEISA-N 285.372 3.813 30 20 CHED C[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1F)C(C)(C)C 108803201 LOWKCVZNAMAKNM-FZMZJTMJSA-N 276.355 3.579 30 20 CHED C[C@@H](CC#N)NC(=O)CC1CCC(c2ccccc2)CC1 108263322 ZAMLUGUGLTWACD-UQPPLGOBSA-N 284.403 3.769 30 20 CHED Cn1ccc2ccc(NC(=O)C3(C#N)CCCCC3)cc21 172606232 RSFMHOBTJZFBPK-UHFFFAOYSA-N 281.359 3.591 30 20 CHED C[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1ccccc1F 116811046 BWSYVECPRIJROR-IIYDPXPESA-N 288.366 3.518 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCc2ccccc21 58453269 QTDQWBBTFAZDHU-MRXNPFEDSA-N 291.354 3.676 30 20 CHED CCCCOc1cccc(NC(=O)c2ccc(C#N)cc2)c1 53178316 XVCKEQNQKMEDND-UHFFFAOYSA-N 294.354 3.989 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(F)ccc1C 104974280 KMNNDJHQCDUQDF-UHFFFAOYSA-N 250.317 3.564 30 20 CHED C=CCNC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 52432165 QWLQNKWUNJLLDN-MRVPVSSYSA-N 290.215 3.776 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H](C)c2ccc(OC)cc2)c1 175220291 ZYWMFXOWNADJIG-CQSZACIVSA-N 293.366 3.809 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 115971228 YMUVEMBBJAKINA-LBPRGKRZSA-N 282.318 3.830 30 20 CHED N#Cc1cccc(N[C@H]2CCOc3c(Cl)cccc32)n1 301261079 GCBAYSUDRUHWSJ-ZDUSSCGKSA-N 285.734 3.542 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)Sc2ccc(C)cc2)CC1 110360450 FJSPYCCMYQRSGN-CQSZACIVSA-N 289.444 3.900 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(C#N)cs1 177517763 OYJMXENFNOXMCG-WFASDCNBSA-N 296.395 3.638 30 20 CHED Cc1cccc(Sc2cc(C#N)ccc2[N+](=O)[O-])c1 302221693 SLWBBJSSMPNWNK-UHFFFAOYSA-N 270.313 3.926 30 20 CHED CCC(=O)c1ccc(Oc2ccc(Cl)c(C#N)n2)cc1 301538190 NDLVGGWQELTOGP-UHFFFAOYSA-N 286.718 3.992 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 66014084 GNLLMWKJNQXEBB-GFCCVEGCSA-N 282.318 3.515 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccccc1OC 116973447 KVKCZXKJAPCVEV-ZFWWWQNUSA-N 288.391 3.506 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cc(C#N)cs1 119275565 XFHVUGBENZRPQL-UHFFFAOYSA-N 295.411 3.904 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 23524508 JBNSRHAGQWCTRM-NSHDSACASA-N 269.275 3.615 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cccc(CC#N)c1 176689670 CTHPJOICUOBLET-CJNGLKHVSA-N 284.403 3.697 30 20 CHED N#Cc1cccc(Cl)c1N1CCc2cccc(F)c2C1 301970575 RNYBEFHDIWNARS-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CC/C(=C/C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(C)cc1 303917179 NLZJSYKTWJFTQH-RXBGNRNISA-N 284.403 3.843 30 20 CHED N#CCc1ccc(NC(=O)N[C@H]2CC23CCCCC3)cc1 181550192 IKCUERDMDJKPPW-HNNXBMFYSA-N 283.375 3.597 30 20 CHED CC(C)C[C@H]1CCCN(c2snc(Cl)c2C#N)C1 301644965 OWLPKRZRNWOWQU-SNVBAGLBSA-N 283.828 3.931 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)CCCCCC 217421576 RLWPNPKZZAVECT-AWEZNQCLSA-N 254.418 3.953 30 20 CHED CCC[C@@H](C)[C@H](CC)NCc1ccc(OCC#N)cc1 180549900 AXBTYKXNZURYKV-PBHICJAKSA-N 274.408 3.893 30 20 CHED CCCCCCCN[C@H](C[S@@](C)=O)c1ccccc1 183107685 XENWHDBYVIEGLT-VQIMIIECSA-N 281.465 3.666 30 20 CHED CN(Cc1cccc2ccccc12)C[C@H](C#N)CCC#N 76512884 IEPXGVNKWVKGIA-HNNXBMFYSA-N 277.371 3.715 30 20 CHED COc1ccc(Br)cc1SCCCC#N 127150684 XOULOBFNDXJLHM-UHFFFAOYSA-N 286.194 3.854 30 20 CHED C=CCNC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 79427970 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Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 502475790 WVQGXTVEGSBGAT-NJZAAPMLSA-N 285.391 3.813 30 20 CHED C#CCOc1ccccc1NC(=O)CCc1cccc(C)c1 187226203 UCODICCCZCRJRB-UHFFFAOYSA-N 293.366 3.578 30 20 CHED CCc1ccccc1CNc1ccc([N+](=O)[O-])c(C#N)c1 124591731 YENJEDZQJXARIX-UHFFFAOYSA-N 281.315 3.641 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 185680318 RSAGUCXBLZPBEH-DOTOQJQBSA-N 283.415 3.688 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(C)cc1O)c1ccccc1 187414138 IKIPCAFKTSNLDP-OAHLLOKOSA-N 281.355 3.999 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1CC#N 410826190 HPICVYUUYZDFJL-JSGCOSHPSA-N 256.349 3.517 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1scnc1C 414535663 LXJNFVRHBWOWQS-HNNXBMFYSA-N 272.417 3.729 30 20 CHED N#CCCCCN[C@H](c1c(F)cccc1F)C(F)(F)F 183457532 CDHRWMKEPFHYLQ-GFCCVEGCSA-N 292.251 3.852 30 20 CHED CC(C)(C#N)CCCCN1CCSC[C@@H]1C1CCC1 419375337 QGJNJDIVNORUJE-OAHLLOKOSA-N 280.481 3.924 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)c2nc3ccccc3[nH]2)n1 73350123 BGRZNFYCGLKDSX-LBPRGKRZSA-N 291.358 3.620 30 20 CHED CC1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 411174027 AZXCKXQJLOPJDY-GGXGYQBMSA-N 296.414 3.699 30 20 CHED CC[C@H](CC#N)NC[C@@H](C)c1cccc(Br)c1 184085509 QSNJBBVNDCGBTD-BXUZGUMPSA-N 295.224 3.834 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@@H](CC)CC(F)(F)F 413517105 OOPZZCAAZIKTKU-WDEREUQCSA-N 280.334 3.619 30 20 CHED Cc1c(C#N)cccc1C(=O)NC(C)(C)c1cccc(F)c1 509403182 NECLBDSPZOUMCK-UHFFFAOYSA-N 296.345 3.671 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)o1 83987932 UJJPIBUVWFRNQP-VQHVLOKHSA-N 251.285 3.610 30 20 CHED CC(C)(C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 49866440 PNSYLIYTLNTXBU-CQSZACIVSA-N 272.392 3.711 30 20 CHED Cc1[nH]nc(C(O)=Nc2ccc3nn(C(C)C)cc3c2)c1C 329560319 FWQJHESMCYVYHN-UHFFFAOYSA-N 297.362 3.593 30 20 CHED CC(=O)c1ccc(C)cc1OCCCC(C)(C)C#N 87598939 UAQLZLZNEXHRNI-UHFFFAOYSA-N 259.349 3.906 30 20 CHED N#Cc1ccc(CN2CCCc3sccc3C2)cc1 609323419 IXJGXNJLWLFTNP-UHFFFAOYSA-N 268.385 3.568 30 20 CHED COc1ccccc1/C=N/OCc1ncc(C(C)(C)C)o1 130116751 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PRYAVSZDVPXXMI-UHFFFAOYSA-N 294.285 3.931 30 20 CHED Cc1c(CSC(C)C)cccc1NCCO[C@@H](C)C#N 802743450 LPGFCDLZFILRFN-ZDUSSCGKSA-N 292.448 3.977 30 20 CHED C=C[C@@H](C)NC(=O)CCCCCc1ccc(F)cc1 489693926 ZETZGFLPXHSXBL-CYBMUJFWSA-N 263.356 3.619 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2nc(S)oc2c1 815815028 HTZXPTQUYWPRSV-UHFFFAOYSA-N 276.361 3.657 30 20 CHED CCC(=NNC[C@@H]1CCSC1)c1ccc(Cl)cc1 811661378 KDMIHKQMBNLSDJ-NSHDSACASA-N 282.840 3.797 30 20 CHED C=CCCCCC[C@@H](C)Nc1cccc2c1OCC(=O)N2 810244736 YFZSNCULMFYEMX-CYBMUJFWSA-N 288.391 3.954 30 20 CHED Cc1cc(CN=c2[nH]ccc(C#N)c2Cl)ccc1Cl 561262700 MJWKWCHWLKVSPY-UHFFFAOYSA-N 292.169 3.603 30 20 CHED Clc1ccc(CNN=Cc2ccc(Cl)o2)cc1 814872840 AJYWDIBHJZWWCB-UHFFFAOYSA-N 269.131 3.710 30 20 CHED Cc1cc(O)c(C(C)C)cc1C(=O)N(CCC#N)C(C)C 568545516 SCEBSTXYUYYVNX-UHFFFAOYSA-N 288.391 3.588 30 20 CHED C=C(CC)COC(=O)c1ccc2cc(C)ccc2n1 815395300 OYJWROFMYRJXEZ-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C=CCN(CCC#N)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 816803141 NVCIWZBDYQHIBY-UHFFFAOYSA-N 295.386 3.833 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(N2CCCC2)c(F)c1 814331114 BBXNAYDEAFJNBX-UHFFFAOYSA-N 290.382 3.967 30 20 CHED FC(F)(F)c1cccc(NN=C2CCCc3occc32)n1 814853388 LTWGKKPJGRWSML-UHFFFAOYSA-N 295.264 3.846 30 20 CHED Cc1cc2occ(CC(=O)OC3(CC#N)CCC3)c2cc1C 810860894 GBWBDFZVBWLJPV-UHFFFAOYSA-N 297.354 3.972 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2C[C@H]2CCC)C(C)C)c1 812972768 MIQRIXAMINZIFX-NVXWUHKLSA-N 269.388 3.846 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(N(C)CCC)cc1 488819908 RRBDIRYMIIGMLD-MRXNPFEDSA-N 286.419 3.714 30 20 CHED C/C(C=NNCC(C)C)=C/c1ccccc1OC(F)F 811646769 LEDNLYHZHJTPLH-YTXSLCIRSA-N 282.334 3.923 30 20 CHED C=CCC1(CNC(=O)[C@H](C)c2ccco2)CCCC1 654082155 WMRKLYKBHWXLMX-CYBMUJFWSA-N 261.365 3.636 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1Cl 485596924 GXBDNQLHFWVEOE-NSHDSACASA-N 264.756 3.912 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 814870507 FXAWEXTVJLEAKG-JTNHKYCSSA-N 271.351 3.529 30 20 CHED C[C@H]1CC(=O)c2c(OCC3(C#N)CCC3)ccc(F)c21 578428552 MUZJDOMZHSTRET-JTQLQIEISA-N 273.307 3.588 30 20 CHED Fc1cccc(Cl)c1NN=C1COc2ccccc21 814905533 YDFCUAAQJAGDQJ-UHFFFAOYSA-N 276.698 3.688 30 20 CHED Cc1cn(Cc2nc(-c3ccccc3)cs2)cc1C#N 578955212 NOQIPDOVOUITHE-UHFFFAOYSA-N 279.368 3.840 30 20 CHED CC(C)Oc1ccc(Cn2ccc(C#N)c2)cc1Cl 488187745 NSBMNNRYJBRCKP-UHFFFAOYSA-N 274.751 3.849 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@@H](F)C1 570405855 ZSPFKZQQKTUSQV-GFCCVEGCSA-N 279.380 3.539 30 20 CHED C=CCCCCOC(=O)c1ccc(F)c(F)c1F 811010783 XXSYYYFEMNAWBZ-UHFFFAOYSA-N 258.239 3.617 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc2cccc(Cl)c2s1 573968422 SLSYUHDCRMKWAA-SNVBAGLBSA-N 292.791 3.977 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@H](C)C[C@@H]1CC 579410802 YERBJTNHLWSIGK-HIFRSBDPSA-N 288.439 3.747 30 20 CHED CN(CCCCC(C)(C)C#N)C[C@@](C)(O)c1ccccc1 823605369 JKRJNVWLGRKFPK-GOSISDBHSA-N 288.435 3.546 30 20 CHED CC[C@H](C)CCNC(=O)Nc1ccccc1O[C@H](C)C#N 822452470 ZGZHVEHJUBAOJG-QWHCGFSZSA-N 289.379 3.535 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C#N)ccc1C(F)(F)F 499363729 XOIHLUNDSLWNTF-UHFFFAOYSA-N 284.281 3.892 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccnc(Cl)c2)C1 822274078 XAACAVJIKADTIA-LLVKDONJSA-N 279.771 3.555 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCC1(C)CC1 823283981 IWMQAGLUKLVMCV-CYBMUJFWSA-N 270.376 3.658 30 20 CHED C[C@H](SCC1(C#N)CCC1)C(=O)Nc1cccc(F)c1 581657328 RJURUPYNGQTYKX-NSHDSACASA-N 292.379 3.580 30 20 CHED CC[C@H](C)N(C(=O)CCCCCC#N)[C@@H](C)CC 588957185 MKSCPKPTPICTGQ-KBPBESRZSA-N 252.402 3.886 30 20 CHED CCCC[C@H]1CCCC1=NNc1cnnc(O)c1Cl 727255073 CDLRVVFNJWGZBC-VIFPVBQESA-N 282.775 3.594 30 20 CHED C[C@@H](C#N)OC(=O)c1csc(-c2ccccc2Cl)n1 727563968 WMMWDYAEECMIBO-QMMMGPOBSA-N 292.747 3.532 30 20 CHED CC[C@@H]1CCC[C@H]1CNCc1ccc(O[C@H](C)C#N)cc1 824655248 VSTRAOHVTLNBAD-OIISXLGYSA-N 286.419 3.893 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)CCC(C)C 491911467 JXHLGJRMSOSAEH-KGLIPLIRSA-N 252.402 3.561 30 20 CHED C[C@H](NN=C[C@H](C)CCc1ccccc1)C(F)(F)F 835001095 NOSODKAHYKIVIM-NEPJUHHUSA-N 272.314 3.782 30 20 CHED CCC/C(C)=C/C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 733259583 ZUUKCVNKZGFISX-MARXPDLDSA-N 276.767 3.767 30 20 CHED N#CCC[C@@H](C#N)CNc1ccc(N2CCCCCC2)cc1 732918415 LGMAYLHVFDINLB-INIZCTEOSA-N 296.418 3.922 30 20 CHED C=CCCC[C@H](N)c1nc(C2(c3ccccc3)CCC2)no1 904684349 ZBIFYJFBIIODDS-HNNXBMFYSA-N 297.402 3.896 30 20 CHED Cc1ccc(CC(=O)Nc2ccccc2CC#N)cc1C 581847959 GGILAXBOHKHXBP-UHFFFAOYSA-N 278.355 3.551 30 20 CHED CCCC[C@H](CC)CNC(=S)N(CCC#N)CC(C)C 730591903 RXYAHLDUEMGZCU-HNNXBMFYSA-N 297.512 3.949 30 20 CHED C#CCCCCCCOC(=O)C[C@H]1CCC[C@@H](OC)C1 835714627 MHIRHXVHGAMCMN-JKSUJKDBSA-N 280.408 3.709 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H]1CCCc2sccc21 839038764 ZAMUFFXFZPLLCJ-DGCLKSJQSA-N 262.374 3.513 30 20 CHED COc1ccsc1C(=O)/C=C\c1cccc(OC)c1F 588619170 MKBYOGQVENFJAO-SREVYHEPSA-N 292.331 3.801 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccc(F)cc31)CC2 589342411 QRVDRTKXKQHPPX-RBUKOAKNSA-N 292.357 3.962 30 20 CHED C=CCC1(C(=O)N2CC[C@H](Oc3ccccc3)C2)CCCC1 584721888 LSAUITKXYMAIPS-KRWDZBQOSA-N 299.414 3.803 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H]4C[C@H]43)c2c1 588066035 HKHVZDAJOIDMIZ-XJKSGUPXSA-N 277.371 3.712 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C)noc1C(F)F 673677764 KOBOBPSRSKRLJE-UHFFFAOYSA-N 286.322 3.739 30 20 CHED C=CCCCCCCCNC(=O)NCc1cnccc1C 836462077 IGBYXSJAOWHRST-UHFFFAOYSA-N 289.423 3.716 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(C(=O)O)c(C(C)C)s1 910700781 MFFQIZCYYVVNBB-CQSZACIVSA-N 296.392 3.506 30 20 CHED C=C(C)COC(=O)CCc1ccc2ccccc2c1 917977917 UDIVKDMHZJOTCV-UHFFFAOYSA-N 254.329 3.892 30 20 CHED CCOc1ccc(N=Cc2ccccc2O)c(C)c1 917557785 VMBRQMNVJKCBIG-UHFFFAOYSA-N 255.317 3.850 30 20 CHED CC[C@H](CC#N)OC(=O)C1(c2ccc(C)cc2)CCC1 842771476 KFLGOYYJPZIARU-OAHLLOKOSA-N 271.360 3.652 30 20 CHED N#CCC1(COC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 744277979 DPGIBFKNHRCUHM-GHMZBOCLSA-N 289.297 3.592 30 20 CHED C=CCCCC(=O)OCc1csc(C(C)(C)C)n1 748234955 JLINFVWFRBXITG-UHFFFAOYSA-N 267.394 3.840 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O[C@H]3CCOC3)cc2)o1 849244241 WNUURULVLVKAIL-WHWKNOJMSA-N 298.338 3.652 30 20 CHED C=C(C)COC(=O)[C@H](CC)Oc1ccccc1Cl 749026408 VHIOSDVLSSGTNC-LBPRGKRZSA-N 268.740 3.617 30 20 CHED C=CCCc1ccccc1NC(=O)N1C[C@@H]2[C@H](C1)C2(F)F 844655319 VCWOHFZKOOLKEV-BETUJISGSA-N 292.329 3.534 30 20 CHED N#CC1(CCONC(=N)c2cccc(F)c2)CCCCC1 842026359 LJUIXKSPYHIJET-UHFFFAOYSA-N 289.354 3.536 30 20 CHED C=CCN(Cc1nc2cc(Cl)ccc2n1C)C(C)C 917168713 XPUDHZZVDMREAN-UHFFFAOYSA-N 277.799 3.623 30 20 CHED CCc1cccc(OCCON=Cc2ccccc2OC)c1 849850264 LHPZORSRYZCJPG-UHFFFAOYSA-N 299.370 3.687 30 20 CHED N#CCCCCC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F 593987028 DDEBAFSXRVOFPG-NEPJUHHUSA-N 290.329 3.555 30 20 CHED C#C[C@@H](OC(=O)C(C)C)c1cccc(C(F)(F)F)c1 842410081 VBFMZLSVCDGTKV-GFCCVEGCSA-N 270.250 3.579 30 20 CHED COCCOc1cccc(-c2ccc(CC#N)c(C)c2)c1 592985453 XRGSMHIXWFIYKG-UHFFFAOYSA-N 281.355 3.753 30 20 CHED CCCOc1ccc(CN(C)[C@H](C)CC#N)c(C)c1 596994543 CPZXOPFXWFCVMP-CQSZACIVSA-N 260.381 3.518 30 20 CHED C=C(C)CCOC(=O)c1cc(Cl)c(OCC)c(OC)c1 744299452 ANUWXGGRPDUJMK-UHFFFAOYSA-N 298.766 3.870 30 20 CHED Cc1cc(C)c(NN=C2C(=O)Nc3c(C)cccc32)c(C)c1 916339548 PJMKOJBBBVXHMS-UHFFFAOYSA-N 293.370 3.689 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(O)c1Cl 590188373 YQYIKEBAJNAPHD-HNNXBMFYSA-N 298.773 3.694 30 20 CHED CCCCCCCC(=O)O[C@@H](C(=O)N1CCCC1)C(C)C 919222957 LPUGEJNEBFYGSH-MRXNPFEDSA-N 297.439 3.537 30 20 CHED N#C[C@H](C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1nc(C2CC2)cs1 842941520 ARSPPXIYEVAECI-YVECIDJPSA-N 286.400 3.633 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(N2CCCC2)cc1C 598970649 XBLFUBJPDOIGIN-UHFFFAOYSA-N 299.418 3.864 30 20 CHED Cc1cc(CNCCC[C@@H]2CC2(Cl)Cl)ccc1C#N 846104658 JTWAPOJWPFIOLX-CQSZACIVSA-N 297.229 3.930 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2ccc(C)s2)c1 915981645 FITZTBSHVJQFKV-CXUHLZMHSA-N 275.373 3.780 30 20 CHED CC1(C#N)CCN(C(=O)c2ccc(C(F)F)cc2F)CC1 594337758 KLGNCSNTLDYLMP-UHFFFAOYSA-N 296.292 3.529 30 20 CHED CCCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917044179 QZUKSBMXKDNHJR-SECBINFHSA-N 278.764 3.926 30 20 CHED CCN(CC)Cc1cccc(C/N=C/c2ccccc2O)c1 915981624 VLBJPTNZZDTLGM-XSFVSMFZSA-N 296.414 3.853 30 20 CHED C=CCCCC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 748224531 CFJQKUXSFDOJSI-LLVKDONJSA-N 263.293 3.555 30 20 CHED N#C[C@@H](C(=O)CC1CC1)c1nc(-c2ccccc2)cs1 915101977 LWBOMMXAECCHJH-ZDUSSCGKSA-N 282.368 3.786 30 20 CHED CC(C)Oc1ccccc1C=NOCC1(C#N)CCC1 842018172 YPSIYRFADMFKIW-UHFFFAOYSA-N 272.348 3.518 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 597695178 OWINCEUQQSJIMZ-IRXDYDNUSA-N 298.430 3.654 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCc2c(C#N)cccc21 592638321 DRWXNDCVKGPPMF-DZGCQCFKSA-N 282.387 3.520 30 20 CHED Cc1ccc([C@H](C)C(=O)N[C@@](C)(C#N)C2CCCCC2)o1 742678685 HTEGYBHQMDHFLE-GUYCJALGSA-N 288.391 3.670 30 20 CHED CC(CCCCC#N)=NNc1ncccc1Cl 841620059 SXVXRYNFWNIBRZ-UHFFFAOYSA-N 250.733 3.607 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(F)cc1 920386200 TXVOOROOTVTQBS-LBPRGKRZSA-N 256.324 3.901 30 20 CHED COc1ccc(OCCCOc2ccc(C#N)cc2)cc1C 742360286 JPLLXMYBVKBRAU-UHFFFAOYSA-N 297.354 3.723 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ccc(C#N)cc1 921258453 UQUBRDAYRFIOGT-UHFFFAOYSA-N 261.328 3.629 30 20 CHED C=C(C)CONC(=O)N(CC(C)(C)C)CC(C)(C)C 845602999 GCVSSRVQLWLNEY-UHFFFAOYSA-N 270.417 3.598 30 20 CHED C=CCN(C(=O)NCc1cc(F)ccc1SC)C(C)C 745928225 BFJLJUNACCNNOD-UHFFFAOYSA-N 296.411 3.654 30 20 CHED C[C@H](C(=O)OCCC1(C#N)CCCCC1)c1ccco1 840234053 UPICUEQBCJCDTP-ZDUSSCGKSA-N 275.348 3.790 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(C)cc(C(F)(F)F)c1 683087396 AUJIFIMKHXIRPN-VIFPVBQESA-N 272.270 3.710 30 20 CHED N#CC1(CCCCN2CCOC[C@H]2c2ccccc2)CCC1 929755574 PPBCWWSPBPVGLX-SFHVURJKSA-N 298.430 3.924 30 20 CHED C=C(C)CSc1nnc(NCc2cccs2)s1 920210344 XMYXNLVGTQYCNY-UHFFFAOYSA-N 283.447 3.880 30 20 CHED C=CCN(C(=O)/C=C/c1ccc(SC)s1)C(C)C 859189905 KGUJXUWKFPCXSZ-SOFGYWHQSA-N 281.446 3.906 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(OC(C)(C)C)cc1 682427451 UBXBYFCORTUWKQ-UHFFFAOYSA-N 290.407 3.581 30 20 CHED Cc1ccoc1CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 850874150 UYXPURYAPFFBGC-LLVKDONJSA-N 288.372 3.587 30 20 CHED CC(C)C[C@H]1COCCN1CCCCC1(C#N)CCC1 929645380 HGIHWGQPWPNYRU-INIZCTEOSA-N 278.440 3.597 30 20 CHED Fc1ccc(/C=C/C=NOC2CCCC2)c(F)c1 758127906 VJGMQMHZJFOSGY-MRAATPTDSA-N 251.276 3.923 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(N)cc1C 758111488 WVCPIKWKFCLNTO-UHFFFAOYSA-N 275.302 3.692 30 20 CHED C=C[C@H](OC(=O)[C@H](C)c1c(C)noc1C)c1ccccc1 851452004 GGXIXYOSGLEQIN-ABAIWWIYSA-N 285.343 3.865 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1csc([N+](=O)[O-])c1)C2=O 921268334 APFPPWPVLZSGCK-LFYBBSHMSA-N 285.324 3.787 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2ccc(O)cc2O)c1 757471334 BFEBAVBMSYPBPG-UTCJRWHESA-N 268.312 3.611 30 20 CHED Cc1cc(C=NO[C@@H]2CCCCO2)cc(C)c1OC(F)F 755816128 DIBWJFFCJHGGIW-CYBMUJFWSA-N 299.317 3.782 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1ccc(F)cc1O 757476339 PXWXBOZQIHFHGO-BAQGIRSFSA-N 260.239 3.567 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCCc1cccs1 851214012 NBWRHYCQHWNGLJ-LBPRGKRZSA-N 279.405 3.942 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1ccc(F)cc1 750395369 NJLQJAUFUBMIHL-SECBINFHSA-N 275.304 3.677 30 20 CHED CCCCCC(C)=NNc1nc(O)c2ccccc2n1 757583913 OJEXSEAZEJWZIP-UHFFFAOYSA-N 272.352 3.704 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1=C(C)OCCC1 755893896 DXSWAVMKEHWYLG-UHFFFAOYSA-N 277.408 3.666 30 20 CHED C#Cc1cccc(NC(=O)N(C2CCCCC2)C2CC2)c1 759106796 OVJSJCRITOJHTG-UHFFFAOYSA-N 282.387 3.997 30 20 CHED Cc1ccc(C#N)nc1N1CC[C@H](c2c(F)cccc2F)C1 853481403 FHFXFJKRBZBYEN-LBPRGKRZSA-N 299.324 3.534 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccc(Cl)c(F)c1 766454543 JGGGHEVMNGFQOO-CYBMUJFWSA-N 270.735 3.836 30 20 CHED C=CCC[C@@H](CC)NC[C@@]1(O)CCCc2ccccc21 765877712 FOMTVLSXXJCDPM-AEFFLSMTSA-N 273.420 3.545 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc([C@@H](C)CC)cc1 762722317 KRPJOAXTAKQKCJ-WFASDCNBSA-N 258.365 3.622 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(C#N)s1 762441253 JUKKBOWEXDQSSB-UHFFFAOYSA-N 255.346 3.764 30 20 CHED C#CCCOC(=O)c1ccc(SCCC#C)cc1Cl 765496487 PEQQXQSIGOAJAH-UHFFFAOYSA-N 292.787 3.636 30 20 CHED CCCCCCCNC(=O)[C@@H]1CC12CCSCC2 862355708 NQIRSNAPBXXEGQ-ZDUSSCGKSA-N 269.454 3.606 30 20 CHED N#Cc1cc(NCc2cccc(Cl)c2)ccc1F 51635302 OJLLTMFUXJRTRH-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C#CCN(CC)C(=O)c1ccccc1SCc1ccco1 764210137 KOLYTJGUFQVAJE-UHFFFAOYSA-N 299.395 3.667 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cccc(C(C)C)c1 863107099 CNHFRQXEYCQNPQ-CQSZACIVSA-N 261.365 3.587 30 20 CHED Fc1ccc(NN=C2CCc3ccc(Cl)cc32)nc1 762448910 LVHXLMRVQNHKAL-UHFFFAOYSA-N 275.714 3.637 30 20 CHED CCc1noc(C)c1C(C)=NNc1ccc(F)cc1OC 761884152 AIVVOJQTNVMREF-UHFFFAOYSA-N 291.326 3.529 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2nnc(-c3ccccc3)n2C)C1 768359983 IKAXGOCUWZXKKC-UONOGXRCSA-N 297.406 3.706 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCC[C@H](C)OC)cc1 765630373 NDBQOTVKOMPIKM-UONOGXRCSA-N 297.826 3.894 30 20 CHED C=CC(C)(C)CC(=O)N1CCCC[C@H](SCC)C1 878818302 PKULPTAFRLEXOQ-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2coc(-c3ccccc3)n2)C1 1116807828 VYWYYFPGNNJESD-GOEBONIOSA-N 295.386 3.556 30 20 CHED CCCCCCCN1CCOC[C@@H]1c1noc(C(C)C)n1 779632147 NPIIQIURROOHCK-CQSZACIVSA-N 295.427 3.537 30 20 CHED C=CC[C@H]1N(Cc2ccc(Cl)nn2)CCCC1(C)C 877480213 NOMCZOLZVXFRKB-CYBMUJFWSA-N 279.815 3.697 30 20 CHED C=C(CC)COC(=O)c1nc(-c2ccccc2F)oc1C 773514439 LIQJIXFDSBQUII-UHFFFAOYSA-N 289.306 3.912 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccccc1Br 776359608 LAOKMFSDTCMDDG-UHFFFAOYSA-N 296.164 3.546 30 20 CHED COc1cc(O)ccc1/C=C1/Cc2c(C)cccc2C1=O 1115993233 ZUTFYQSLXGEZIL-JYRVWZFOSA-N 280.323 3.532 30 20 CHED CC(=NOC1CCCC1)c1cnn(-c2ccccc2)c1C 774596301 BWQQSARCHAONFX-UHFFFAOYSA-N 283.375 3.864 30 20 CHED COc1cccc2c1C/C(=C\c1cc(F)ccc1C)C2=O 777917844 GWLXFPGQJHOUDN-MDWZMJQESA-N 282.314 3.965 30 20 CHED CCOc1ccc(/C=C\C(=O)c2sccc2O)cc1 771745993 VKZTVEVJKGSECL-YVMONPNESA-N 274.341 3.749 30 20 CHED C#CCCCCCC(=O)Oc1ccc(Cl)cc1 779707528 TWMUSNOTSPMRNT-UHFFFAOYSA-N 250.725 3.829 30 20 CHED CCCCCCCNC(=O)N(CC)Cc1ccncc1 875765644 UWJSDFBWKBXLBS-UHFFFAOYSA-N 277.412 3.584 30 20 CHED CC(=NOC1CCOCC1)C12CC3CC(CC(C3)C1)C2 774453917 SGJKUPFNSMNIRJ-UHFFFAOYSA-N 277.408 3.774 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1ccc(CC#N)cc1 776110608 XQOIJICNFNTYJU-CYBMUJFWSA-N 273.376 3.868 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc2nccnc12 1123335656 AEJFKNYKTOFYGN-ZDUSSCGKSA-N 296.374 3.592 30 20 CHED CCCCCCC(=O)OCc1cccc(C#N)c1F 774924763 VNFTZIAISOPNCU-UHFFFAOYSA-N 263.312 3.711 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc[nH]1 775425310 XORLECKABONVQY-SJCJKPOMSA-N 265.360 3.615 30 20 CHED N#CCc1ccc(COC(=O)c2cc3ccccc3o2)cc1 776112735 LGTSZOJLGUWMQU-UHFFFAOYSA-N 291.306 3.856 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(N(C)C(=O)CC)cc1 882069347 POHKYZMTTIAQEE-KRWDZBQOSA-N 288.391 3.600 30 20 CHED C=CCCCCCN1CCC(c2nc(C)c(C)[nH]2)CC1 886663242 WOUKYILBATWZGG-UHFFFAOYSA-N 275.440 3.952 30 20 CHED CC1(C)CCC(C)(CNC(=O)c2sccc2C#N)CC1 1129771826 RRSPQCUDMDBXIB-UHFFFAOYSA-N 290.432 3.956 30 20 CHED CCOc1ccc(/C=C/C(=O)c2sccc2O)cc1F 782352056 PXCBDNFEYUJATB-HWKANZROSA-N 292.331 3.888 30 20 CHED C[C@@H](CC1CCCC1)C(=O)[C@@H](C#N)c1cccc(F)n1 1122632164 QTZVQEIFRHGZOM-AAEUAGOBSA-N 274.339 3.613 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cncs2)c(C)c1 787171795 CQTJXRNXOLFJCA-PLNGDYQASA-N 257.358 3.964 30 20 CHED CCCCCC[C@@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 784174392 NQSJPLIIBDAICN-ZBFHGGJFSA-N 279.428 3.681 30 20 CHED CC[C@H]1c2ccccc2CN1c1snc(C)c1C#N 897354387 MEXJYHNAEPMZRD-AWEZNQCLSA-N 269.373 3.795 30 20 CHED CNc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 784696284 ANXOHXGXCQWQMM-LBPRGKRZSA-N 280.327 3.518 30 20 CHED Cc1ccccc1C1(C(=O)[C@@H](C#N)c2ccccn2)CCC1 788351034 JZUBAMSXHYERNF-HNNXBMFYSA-N 290.366 3.688 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccc(Cl)cc2)no1 899993986 SWJBSCRLSCCNCD-GFCCVEGCSA-N 277.755 3.746 30 20 CHED CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1130934621 RJSUZGZEZMMAJZ-UHFFFAOYSA-N 298.729 3.667 30 20 CHED C=C1CCC(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 890368115 CGZOKJNWWBMHAF-IUODEOHRSA-N 291.341 3.683 30 20 CHED CC1(CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797567222 ZYWNVMKZDXMWOS-JTQLQIEISA-N 276.405 3.807 30 20 CHED CC[C@@H](NCCCC#N)c1cccc(Br)c1 273298743 UJHLZVCFBKIGBX-CYBMUJFWSA-N 281.197 3.794 30 20 CHED Cc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1C#N 799550737 JNDUJZAGNDFHKV-UHFFFAOYSA-N 284.359 3.744 30 20 CHED COc1cccc(NN=Cc2cn(C)c3ccc(F)cc23)c1 794851274 QWICWNRWIVHJQF-UHFFFAOYSA-N 297.333 3.772 30 20 CHED CC(=NNc1ncccn1)[C@@H](C)c1ccc(Cl)cc1 794492842 ZOSJGGZTKLCTSN-SNVBAGLBSA-N 274.755 3.722 30 20 CHED C[C@H]1CCC(=NNc2cccc(Cl)n2)[C@H](C)C1 793174960 OVFTWQXAGVNZMV-VHSXEESVSA-N 251.761 3.959 30 20 CHED C#Cc1cncc(C(=O)N(CCCC)c2ccccc2)c1 798243388 MXLHDUXPIBOCMC-UHFFFAOYSA-N 278.355 3.510 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccnc(SC(C)(C)C)c1 791743756 UHRQQNBZWYAXHP-CYBMUJFWSA-N 290.432 3.504 30 20 CHED CCC(=NN[C@@H]1CCOC(C)(C)C1)c1cccc(C)c1 794932509 IGXRFDILVWSCLN-OAHLLOKOSA-N 274.408 3.656 30 20 CHED CC(=NNc1cncnc1)c1cc2cc(C)c(C)cc2o1 794978439 MMYZWQKDJXNDTQ-UHFFFAOYSA-N 280.331 3.676 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1ccc(C(C)=O)s1 799442832 AQMSAQSENLHHRK-UHFFFAOYSA-N 299.351 3.604 30 20 CHED Cc1ccc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cc1C#N 799343216 CGKQFKVPQGYLPK-ZDUSSCGKSA-N 298.308 3.574 30 20 CHED Cn1c(NN=C2CCC[C@@H]2CCF)nc2ccccc21 794894088 CXWQZDDAQXZUQK-LLVKDONJSA-N 274.343 3.501 30 20 CHED C=CCCCCOC(=O)c1cnc2c(F)cccc2c1 797272346 JKCRKAUCGXKYCN-UHFFFAOYSA-N 273.307 3.887 30 20 CHED O=C(/C=C/c1ccc(C(F)F)cc1)c1cncs1 794942014 FSAJBXVSBFHSHS-ZZXKWVIFSA-N 265.284 3.977 30 20 CHED CCN(Cc1ccc(OC)c(C#N)c1)c1ccccc1 87833110 CIRGKTYRBYOGGM-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C[C@]1(C#N)CCCN(Cc2nc(Cl)ccc2Cl)C1 766892178 DVHOENIHKTYWSU-CYBMUJFWSA-N 284.190 3.514 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCCC(F)(F)F)c1 770720095 VMXKWKAZYJJMRV-UHFFFAOYSA-N 283.293 3.753 30 20 CHED CC[C@H]1CCC[C@H]1CNCc1ccc(C#N)cc1F 1308407298 NPCWJLXJRTZNGX-KBPBESRZSA-N 260.356 3.613 30 20 CHED C[C@H]1CN(CCc2ccc(C#N)cc2)[C@@H]1c1ccccc1 1167576079 KILCLEXWENAGDR-KXBFYZLASA-N 276.383 3.794 30 20 CHED Cc1cc(NCCc2c[nH]c3c(C)cccc23)ncc1C#N 1162567688 HJVIOTAJLARHNS-UHFFFAOYSA-N 290.370 3.706 30 20 CHED COC(=O)c1ccccc1C=NNc1ccccc1Cl 1317716405 FNOMGOUHLDUORM-UHFFFAOYSA-N 288.734 3.573 30 20 CHED CC(C)(C)ON=C(CC1CCCCC1)c1ncccn1 1319803902 JKHCNSTWYZEOBF-UHFFFAOYSA-N 275.396 3.966 30 20 CHED CCOc1ccc(CSCc2cccc(C#N)c2)nc1 1322602911 SMCWJNKEQWZCJR-UHFFFAOYSA-N 284.384 3.785 30 20 CHED Cc1cc(COC(=O)CC#Cc2ccccc2)c(C)s1 1322017306 DKAMKLJDHRGFAC-UHFFFAOYSA-N 284.380 3.850 30 20 CHED C[C@]1(C(=O)OCc2ccc(C#N)s2)C[C@@H]1c1ccccc1 1329168385 JZJCRMQQXHDACC-WBVHZDCISA-N 297.379 3.857 30 20 CHED C=C[C@H](COC)N[C@H](C)c1csc(-c2ccccc2)n1 1327377721 YQDOUNJAALTOJZ-TZMCWYRMSA-N 288.416 3.662 30 20 CHED Cc1cccc(-c2nnc(-c3ccc(C#N)cc3)o2)c1C 1322326079 XSSUXRLUFHNHBR-UHFFFAOYSA-N 275.311 3.892 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnn(C2CCCCC2)c1 1321061619 QCORLQILZJGFOS-HNNXBMFYSA-N 287.407 3.569 30 20 CHED COc1ccccc1C1(N[C@H]2CCC[C@@H](C#N)C2)CCC1 1256035819 UEJKHXJSOCRIQC-CABCVRRESA-N 284.403 3.746 30 20 CHED CS[C@@H]1CC[C@H](N(C)CC#Cc2cccc(Cl)c2)C1 1253399225 UJBYMXBHLJMDHS-JKSUJKDBSA-N 293.863 3.907 30 20 CHED CCc1ccccc1CCN1CCCC(C)(C)[C@@H]1C#N 1194101606 NPDRDWNTSWYKGD-KRWDZBQOSA-N 270.420 3.806 30 20 CHED Cc1cc(F)ccc1[C@H](C)NCc1cccc(OCC#N)c1 1343926661 IMGOQPDDNXPHOJ-AWEZNQCLSA-N 298.361 3.887 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)[C@H](c1ccccc1)C(C)C 1347337595 KGGUFAQAFPDFKB-HOTGVXAUSA-N 295.386 3.519 30 20 CHED CCc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 1350653097 SVEWWDMIEQBLPP-CQSZACIVSA-N 292.382 3.938 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)[C@H](CC#N)c2ccccc2)C1 1352586360 JWPZWRLAEBXAFC-FVQBIDKESA-N 271.360 3.806 30 20 CHED C=CCC[C@H]1CCCN1c1ccnc(-c2nccs2)n1 1354300819 HRVXBEFBLNUOKT-LBPRGKRZSA-N 286.404 3.535 30 20 CHED C=CC[C@@H](OC(=O)c1ocnc1CC)c1ccccc1 1518232179 DOCZTOQKXNKAQZ-CQSZACIVSA-N 271.316 3.711 30 20 CHED C[C@@H]1Cc2ccccc2N(Cc2cccc(C#N)c2)C1 109586511 CELWVXOFGAGOHU-CQSZACIVSA-N 262.356 3.757 30 20 CHED CCOc1cc(NC(=O)c2cc(C#N)ccc2C)ccc1C 1459991797 OIIDPJSLKBPDJL-UHFFFAOYSA-N 294.354 3.826 30 20 CHED CCC[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C1CCC1 1299214172 VPTYAPLZRSBZQN-OAHLLOKOSA-N 292.329 3.535 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2ccc(Cl)s2)o1 1602331178 WRDCAVHNAZVGKA-HNQUOIGGSA-N 282.704 3.589 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc(C(=O)O)co1 1604326934 VBEPQPNYEISCOO-DOMZBBRYSA-N 298.342 3.673 30 20 CHED Cc1cc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)oc1C(=O)O 1607609421 JCRNISMPNNEVHY-RYUDHWBXSA-N 298.342 3.570 30 20 CHED CC(C)CN(CCCN1CCCCC1)c1ccc(C#N)cc1 1616013463 KPILJWNGJHWEFZ-UHFFFAOYSA-N 299.462 3.897 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)Cc1cc(C#N)ccc1OC 1473389699 WIHFUHHRNGKKFU-NVXWUHKLSA-N 286.419 3.967 30 20 CHED Cc1cc(NC[C@H]2C[C@H]2C)n2c(nc3ccccc32)c1C#N 1611797175 CDKQGVZJYJBHMO-DGCLKSJQSA-N 290.370 3.736 30 20 CHED CS[C@@H](C(=O)N(C)c1ccccc1C#N)c1ccccc1 1544540193 VOTOYSDRMMBSBD-MRXNPFEDSA-N 296.395 3.625 30 20 CHED Cc1nc(N2C[C@H](C)CCC[C@H]2C)c(Cl)cc1C#N 1611997239 GPLXDVFBWKRUCO-GHMZBOCLSA-N 277.799 3.930 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 227360014 XRPQDPLICSCXDZ-DGCLKSJQSA-N 291.376 3.553 30 20 CHED CC1(C)CCC[C@@H]1CNc1ccc(Cl)c(C#N)n1 1559196930 JZNGGOBOKFATQU-SNVBAGLBSA-N 263.772 3.845 30 20 CHED CC[C@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccc(C)cc1 1559711790 SQWPFYPGELCUJL-RBUKOAKNSA-N 294.398 3.641 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCC1(C)C 228842672 DIZSRQCJYUKQEM-CYBMUJFWSA-N 256.349 3.632 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](C#N)C1 1644351075 YIBZWPCEMAECGQ-IAGOWNOFSA-N 290.451 3.991 30 20 CHED N#Cc1c(F)cccc1Sc1cc(C(F)F)ncn1 1655612079 JABDZHHGJJHYNG-UHFFFAOYSA-N 281.262 3.576 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(C(=O)O)s1 1588800028 XBWALECVLBCTQB-UHFFFAOYSA-N 296.392 3.656 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1cc(F)ccc1C#N 229956780 NTSAHSQSMSIPTA-LLVKDONJSA-N 286.375 3.878 30 20 CHED CSCc1ccc(Nc2ncc(C#N)cc2F)cc1 1650722498 ANPRVACWWYQRRF-UHFFFAOYSA-N 273.336 3.699 30 20 CHED COc1cc(CNC2(C3CCCCC3)CC2)ccc1C#N 1651658712 UOXHJQHFXXGVJU-UHFFFAOYSA-N 284.403 3.769 30 20 CHED Cc1cc(N2CCC(C3CCCC3)CC2)ncc1C#N 1655202968 SIDBTDRYZKTDAI-UHFFFAOYSA-N 269.392 3.668 30 20 CHED N#Cc1ccc(CN2CCCc3c(F)cccc32)c(F)c1 1652161589 QZARJMHLLSYIGC-UHFFFAOYSA-N 284.309 3.789 30 20 CHED COc1cccc2cc([C@H](C)NCC(C)(C)C#N)oc12 122230415 XDWMEIZKAOCMNQ-NSHDSACASA-N 272.348 3.642 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)Nc1cc(C#N)ccc1F 1670761136 PCCHLWVHPPANDJ-UHIISALHSA-N 289.354 3.644 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1sccc1C#N 1678968896 OEMASFLUIOHTQI-QMTHXVAHSA-N 277.393 3.710 30 20 CHED C=CCCCCCCCNc1ncc(C(=O)O)s1 1776172814 FKNSOFGZVAYZSH-UHFFFAOYSA-N 268.382 3.780 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCCCCCC(=O)O 1777423465 TXZWVSNGXIMLOS-UHFFFAOYSA-N 281.739 3.544 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(/C=C\C(=O)O)o1)C2=O 1777455977 SVOGVPWKUUSSLW-JNWHFCKMSA-N 294.306 3.508 30 20 CHED C[C@@H]1C(=NO[C@H](C)c2ccccc2)CC[C@H]1CC(=O)O 1776083281 VIYPGOCEPNUZBC-SCRDCRAPSA-N 275.348 3.641 30 20 CHED C=CCC(C)(C)CC(=O)Nc1ccc(C)cc1C(=O)O 1776150780 IMAWGSQBRUZHKZ-UHFFFAOYSA-N 275.348 3.624 30 20 CHED CC(C)c1ccc(CC=NNc2ccc(C(=O)O)nc2)cc1 1776070268 DXYMAUJXHVEDKZ-UHFFFAOYSA-N 297.358 3.544 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 161994954 MCIZXAMTRIIPSB-GUYCJALGSA-N 295.398 3.724 30 20 CHED N#Cc1ccccc1CNC1(c2ccc(Cl)cc2)CC1 162302041 HVEQBKHXTKUXIW-UHFFFAOYSA-N 282.774 3.991 30 20 CHED N#Cc1ccc(NCc2ccc(Br)o2)c(F)c1 168271438 JKKYFQHLLUDAMN-UHFFFAOYSA-N 295.111 3.665 30 20 CHED CCN(C(=O)C[C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 152003997 PMLJQGBVCSTUDE-HIFRSBDPSA-N 270.376 3.737 30 20 CHED C#CCN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 152607425 YEMSUFVMBVTGSH-TZMCWYRMSA-N 267.294 3.564 30 20 CHED Cc1ccccc1[C@H](C)NCCOc1ccc(C#N)cc1 156161145 QWQJURBQSVKCMW-HNNXBMFYSA-N 280.371 3.596 30 20 CHED CCN(C[C@H](C)C#N)[C@@H]1CCCc2ccc(F)cc21 155228601 LFNYLEHTUSULFL-MLGOLLRUSA-N 260.356 3.685 30 20 CHED C=CCSc1nnc(-c2ccccn2)n1-c1ccccc1 157195512 YKZXSLOOMQDZIM-UHFFFAOYSA-N 294.383 3.607 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@@](C)(O)CC)cc1 154605850 ZDULRSMLRMGKRW-CJNGLKHVSA-N 297.826 3.630 30 20 CHED C=CCC[C@@H](CC)NC1CC(C)(C)NC(C)(C)C1 159626419 OHUYSMCCSXCQLZ-CYBMUJFWSA-N 252.446 3.630 30 20 CHED N#Cc1ccc(CNc2cc(Cl)ccc2C#N)cc1 36954326 QBFFVXKVULZPTL-UHFFFAOYSA-N 267.719 3.695 30 20 CHED CCCCCCCNc1ccc(S(=O)(=O)CC)cc1 59431446 AWUZCMGGJLKKKZ-UHFFFAOYSA-N 283.437 3.863 30 20 CHED Cc1cc(N[C@@H]2CCCc3sccc32)cc(C#N)n1 308278429 NPYJFRXIHUIYAY-CQSZACIVSA-N 269.373 3.813 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1cccc(CC#N)c1 313458656 DXZQUJAKUHWVET-CQSZACIVSA-N 258.365 3.908 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccccc1Br 488821769 KCZPMAMKPBBTHX-NSHDSACASA-N 294.192 3.630 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2cccc(F)c2C#N)CCO1 487058254 DNTGMJYWECEUEC-XHDPSFHLSA-N 276.355 3.703 30 20 CHED Cc1nc(Oc2cc(F)ccc2F)c(Cl)cc1C#N 388396410 WVPCVNOECKBOJN-UHFFFAOYSA-N 280.661 3.986 30 20 CHED C#C[C@H](NCc1csc(-c2ccc(F)cc2)n1)C(C)C 394309422 DBGFANSELOMGTB-HNNXBMFYSA-N 288.391 3.697 30 20 CHED N#CCc1ccc(COc2ccc(C#N)c(Cl)c2)cc1 399006823 YXRJCYLYDUXWMH-UHFFFAOYSA-N 282.730 3.857 30 20 CHED Cc1ccccc1C[C@@H](C)NC(=O)C1(C#N)CCCCC1 57396226 JCPJREWQBVNYLD-OAHLLOKOSA-N 284.403 3.516 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(Cl)ccc2F)C1 116807994 HTRPVMGPTIWXEJ-ZUZCIYMTSA-N 294.757 3.681 30 20 CHED Cc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1 58465415 LRLPJLMJJQOSBY-CMDGGOBGSA-N 254.333 3.669 30 20 CHED C[C@@H]1CC[C@H](NC(=O)NCCCCC#N)c2ccccc21 179174107 RSXYXGGGLRJHLN-CJNGLKHVSA-N 285.391 3.618 30 20 CHED C=CCc1cc(/C=C/C(=O)c2ccco2)cc(OC)c1O 118950281 WZMACXXLVXFUBV-BQYQJAHWSA-N 284.311 3.618 30 20 CHED N#CC1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 177695638 CPGRPEIJLTZIIM-UHFFFAOYSA-N 296.336 3.874 30 20 CHED C#CCCSc1nnc(-c2cccc(Cl)c2)n1CC 179251010 UQGNANUIIWSIHK-UHFFFAOYSA-N 291.807 3.734 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 174805893 RRMALHFYNJCQGC-LLVKDONJSA-N 295.360 3.585 30 20 CHED CC(=O)CCc1ccc(OCc2ccc(C#N)s2)cc1 1262158759 WVBFLBPWCAVXTK-UHFFFAOYSA-N 285.368 3.720 30 20 CHED COc1cc(C#N)ccc1Oc1ncnc2cccc(C)c12 301492222 OYWXBTCDHWGSGK-UHFFFAOYSA-N 291.310 3.611 30 20 CHED CC(C)CCOc1ccccc1CNc1ncccc1C#N 301173773 XYZGLYXWZBMZIW-UHFFFAOYSA-N 295.386 3.990 30 20 CHED C=CCCCC(=O)NCc1cc(C)ccc1OC(F)F 176782668 OUEQHBHESQLRHT-UHFFFAOYSA-N 283.318 3.569 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N[C@H](C)c1ccccc1C 177868659 JPDDRVXHKRXRKL-KGLIPLIRSA-N 277.433 3.870 30 20 CHED C=CCNc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 176997474 RKDMNWIUPSBDEJ-LBPRGKRZSA-N 276.380 3.870 30 20 CHED CC(C(=O)Nc1cc(C#N)ccc1C)=C1CCCC1 176590690 ZWQVTAFCOKNTCE-UHFFFAOYSA-N 254.333 3.696 30 20 CHED N#Cc1cc2c(nc1N1CCC3(CCC3)CC1)CCCC2 308724511 ITRFNWLTLVNODT-UHFFFAOYSA-N 281.403 3.603 30 20 CHED C#CCCCN[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C 178053175 ZXJSCERIBLXBPU-INIZCTEOSA-N 295.430 3.862 30 20 CHED Cc1nc(CCNc2c(Cl)cccc2C#N)sc1C 301668197 NBIAADRFKOQKKD-UHFFFAOYSA-N 291.807 3.940 30 20 CHED CCC[C@@H](C)C(=O)Nc1sc(C)c(C)c1C#N 60391189 VFAIJWZTAFYSHK-MRVPVSSYSA-N 250.367 3.611 30 20 CHED COc1ccccc1OC[C@H](C)CNc1ccc(C#N)cc1 301856536 BBSVJNIMQSHUNI-CQSZACIVSA-N 296.370 3.694 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@H]1CCC[C@@H](C)C1 303930094 PMKSEBUDZOLVNC-OLZOCXBDSA-N 289.350 3.603 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C(C)C)on1 120383004 HSMLYMQZIUBWBY-UHFFFAOYSA-N 284.359 3.626 30 20 CHED C=CCSc1nnc(-c2ccc(N(CC)CC)cc2)o1 60697135 LCHXNSDBERDASH-UHFFFAOYSA-N 289.404 3.861 30 20 CHED COCCN(Cc1ccc(C#N)cc1)Cc1ccccc1C 125731805 BAHVYBCUZRGZLP-UHFFFAOYSA-N 294.398 3.515 30 20 CHED CC#CCCSCc1ccc(-n2ccnc2)cc1C 1343546740 FMBGWVHXXVMPMR-UHFFFAOYSA-N 270.401 3.827 30 20 CHED C=CC[C@H](C)NC(=O)c1c[nH]cc1-c1ccc(F)cc1 173799836 PHTHECXEZDDFFD-NSHDSACASA-N 272.323 3.515 30 20 CHED C=C(C)[C@@H](Nc1nccc(C)n1)c1ccc(F)c(F)c1 302460400 VDWFZNVQOLHTAH-CQSZACIVSA-N 275.302 3.793 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1ccc(F)cc1C#N 408402477 IJZSMNPPHOQJOF-NEPJUHHUSA-N 289.354 3.740 30 20 CHED C=CCC1(C(=O)NC[C@H](C)Oc2ccccc2C)CCC1 188279688 DYOCXQYQXGIMOA-HNNXBMFYSA-N 287.403 3.625 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 213893918 YAAVOCPQHOLQOU-FPLPWBNLSA-N 271.247 3.630 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)C1CCCCC1 77380319 QCZDUCNTLXMLLO-UHFFFAOYSA-N 273.380 3.634 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccccc1 121634537 BSMVDRIYGREZAT-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED Cc1nc2scc(C)n2c1CNc1cccc(CC#N)c1 313482814 TVPGRFMVRRKYLU-UHFFFAOYSA-N 296.399 3.691 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@](C)(C#N)CSC 415697847 XEXACYLZNJPMHX-GDBMZVCRSA-N 296.480 3.744 30 20 CHED CCOc1cccc(NC(=O)Nc2cccc(C#N)c2C)c1 188491021 UYGFMBXHGPOFDL-UHFFFAOYSA-N 295.342 3.909 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1cc(Cl)ccc1Cl 417634908 ZGAYPYSTYFYWHQ-NSHDSACASA-N 288.174 3.502 30 20 CHED CN(CCCSCC#N)CCC1CCCCC1 74989946 GYPWAMDZMMJVQC-UHFFFAOYSA-N 254.443 3.535 30 20 CHED C=CCCCCCN1CCC(OCC2CC2)CC1 488414529 GTSJBVOYYRYFOM-UHFFFAOYSA-N 251.414 3.624 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2C)c(C)c1 509152319 MFKBEMXCFVDKAJ-HNNXBMFYSA-N 292.382 3.975 30 20 CHED C[C@H](NCC(C)(C)c1cccnc1)c1ccc(C#N)cc1 414341431 VPXMOYVUYWCJEN-AWEZNQCLSA-N 279.387 3.582 30 20 CHED CCCOc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 185725520 KWRKKGXMQJINIE-UONOGXRCSA-N 258.365 3.970 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N(CC)c1ccc(C#N)cc1 410530851 XMRBMASFWVGWLY-GDBMZVCRSA-N 270.376 3.737 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 410142814 ZZDWUSVAQXBDGX-YYFQZIEXSA-N 287.403 3.977 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 128354516 LRYAWHVMGJZJEI-KBPBESRZSA-N 295.386 3.683 30 20 CHED C=CCN(C)C[C@H](C)c1ccc(C(F)(F)F)cc1 501967258 OWFJTPMUQPLSON-NSHDSACASA-N 257.299 3.927 30 20 CHED Cc1csc([C@H](C)Nc2cc(C#N)cc(Cl)n2)n1 122819158 NHXPKKFQHCRBEU-QMMMGPOBSA-N 278.768 3.545 30 20 CHED CC1(C)CCCN(Cc2cccc(Cl)c2F)[C@H]1C#N 444717787 NINOQZMOUKYPDO-ZDUSSCGKSA-N 280.774 3.993 30 20 CHED C=CCc1ccccc1OCc1nc(CC(C)C)no1 123780692 MOTJBVZAJVZXDV-UHFFFAOYSA-N 272.348 3.576 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 188430122 QQGCTNPYRKZGSV-GRDNDAEWSA-N 281.440 3.546 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@]1(C)C(C)C 185713790 JQOWMJHCTHXRRV-PKOBYXMFSA-N 298.430 3.977 30 20 CHED N#CC1(CN2CCC[C@H]2c2nc3ccccc3s2)CC1 334308058 DRTAIXDXKVUXKA-ZDUSSCGKSA-N 283.400 3.737 30 20 CHED COc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1O 130535553 QKDGQBRMPZRTHR-MRXNPFEDSA-N 296.370 3.535 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(CC#N)cc1 412810772 IKCPGKMVECZHGC-HZPDHXFCSA-N 284.403 3.697 30 20 CHED CC(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412185904 YLYUBUXDDMVVEK-DLBZAZTESA-N 298.430 3.850 30 20 CHED C#CCOc1ccccc1NC(=O)N(CC)C[C@H](C)CC 188097609 BIDCESGOMQIPFW-CQSZACIVSA-N 288.391 3.599 30 20 CHED N#CCOc1ccc(NCc2cccc3[nH]ccc23)cc1 71029329 XNMGPTVZXMGTOB-UHFFFAOYSA-N 277.327 3.682 30 20 CHED Cc1ccc(C#N)c(NC[C@H]2CCC3(CCCCC3)O2)n1 329216540 OQKHEUZVPHJABC-OAHLLOKOSA-N 285.391 3.556 30 20 CHED C[C@@H]1CCC[C@H](/C(O)=N/[C@H]2CCC(O)=NC23CCC3)C1 328708814 AGRLFDSBJPQADZ-AGIUHOORSA-N 278.396 3.811 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC[C@H](C#N)CCC#N 191877451 TTXJMFFZCNYEJV-JYJNAYRXSA-N 261.413 3.624 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccccc1Oc1ccccc1 84907654 GYIAZHAEBYKWKO-ZDUSSCGKSA-N 295.342 3.760 30 20 CHED Cc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1C 48501962 YRMZWIREKOQLRT-PXNMLYILSA-N 266.296 3.625 30 20 CHED Cc1ccccc1OCCCN(C)CCC(C)(C)C#N 131215833 RVPSGZDRJIGIDS-UHFFFAOYSA-N 274.408 3.636 30 20 CHED N#Cc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 40477312 BKAFSFOXOLLYOG-UHFFFAOYSA-N 290.366 3.553 30 20 CHED CCN(Cc1ccccc1Cl)C(=O)[C@](C)(C#N)CC 285676359 ZORRULXODYXALM-HNNXBMFYSA-N 278.783 3.628 30 20 CHED CC[C@H]1CC[C@H](/C(O)=N/CCc2csc(O)n2)CC1 329520973 QNOQGZJGRRRXGR-XYPYZODXSA-N 282.409 3.564 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1/N=C(/O)c1snnc1C1CC1 329630655 QXRSSHKPNKWEND-YWVKMMECSA-N 279.409 3.545 30 20 CHED COc1cc(O[C@H](C)c2cccc(C#N)c2)ccc1C#N 194734155 QSDNTJXGKVPRRN-GFCCVEGCSA-N 278.311 3.579 30 20 CHED Oc1ccccc1SCC#Cc1ccc(F)cc1 135295683 NQIHAZPHILLWDR-UHFFFAOYSA-N 258.317 3.675 30 20 CHED Cc1cc(N=C(O)c2ccc3c(c2)COC3)nc(C(C)C)n1 329591483 ZZIQXCSXBCAQBF-UHFFFAOYSA-N 297.358 3.575 30 20 CHED C[C@@H]1CCC[C@H](C/N=C(/O)C[C@@H]2CCCC(O)=N2)C1 329673552 UZWIFTCPHZVIQQ-AGIUHOORSA-N 266.385 3.668 30 20 CHED CCOc1cc(C#N)ccc1OCCCOC(C)(C)C 610681670 ZWKRXJGGOBDLSV-UHFFFAOYSA-N 277.364 3.541 30 20 CHED C[C@@H]1CC[C@H](C(O)=Nc2ccc(C3CCC3)cn2)O1 329358493 BLWGUANSRJNXCX-ZWNOBZJWSA-N 260.337 3.505 30 20 CHED CC#CCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 511894958 IXWJHXGDXRSYBP-KSZLIROESA-N 253.389 3.668 30 20 CHED Cc1nnc(SCC2(C#N)CC2)n1[C@H]1CCC[C@H](C)C1 329505281 ZJXOBEGHIZINMH-AAEUAGOBSA-N 290.436 3.734 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)NCC(C)(C)CCC#N 513141986 XHMQUBRSZYZMFC-KBPBESRZSA-N 279.428 3.536 30 20 CHED CC1(C)CCCC[C@H]1/C(O)=N/Cc1noc(C2CC2)n1 329884101 RYGSZMCINRKDBZ-NSHDSACASA-N 277.368 3.620 30 20 CHED CCCNc1ccc(CNC(=O)C2(C#N)CCCCC2)cc1 193022464 YPDFLXGYFGJGIA-UHFFFAOYSA-N 299.418 3.599 30 20 CHED O/C(=N/Cc1ccncc1)c1coc(C2CCCCC2)n1 328734531 ILYFDOORFCFEJJ-UHFFFAOYSA-N 285.347 3.622 30 20 CHED CC[C@H](c1ccccc1)N(CC)C(=O)NCC(C)(C)C#N 512913672 WQGXKTVRJIYJLW-OAHLLOKOSA-N 287.407 3.719 30 20 CHED N#Cc1ccc(NC(=O)CC2CCCCCC2)cc1C#N 226840465 OQEBBKGLONOMRJ-UHFFFAOYSA-N 281.359 3.729 30 20 CHED C=CCC1(C(=O)N2Cc3ccc(C)cc3C2)CCC1 335691664 OZJRUOXRBMPRDQ-UHFFFAOYSA-N 255.361 3.584 30 20 CHED CCCN(CCC)CCCN[C@@H](C)c1ccc(C#N)cc1 519014820 OGOVMEQZSFARAP-INIZCTEOSA-N 287.451 3.721 30 20 CHED CSc1ccc(C)c(N/C(O)=N/C[C@@H]2CCCCO2)c1 330690050 QAZBSRUOXUZKGV-LBPRGKRZSA-N 294.420 3.612 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1 338604451 VVTGMBBRRSTHPO-ZDUSSCGKSA-N 291.391 3.627 30 20 CHED C=C[C@H](C)/N=C(/O)c1cc(C)nc2onc(C(C)C)c12 330927660 KOMXNJYCAGJCAO-VIFPVBQESA-N 273.336 3.534 30 20 CHED CCc1ccc(CCC(=O)N2CCC(CCC#N)CC2)cc1 519534210 MENSDYYMBDYOCV-UHFFFAOYSA-N 298.430 3.724 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cn1 514898097 LZDWOJIMDLMMFP-UHFFFAOYSA-N 279.387 3.887 30 20 CHED CC[C@@H](C)/N=C(/O)Nc1ccc2c(c1)CC(C)(C)O2 330964093 KQOGZUTZBRTNHM-SNVBAGLBSA-N 262.353 3.525 30 20 CHED N#CCN(Cc1cccc(F)c1Cl)C1CCCC1 93175166 GHTBNEOVLVYKLV-UHFFFAOYSA-N 266.747 3.747 30 20 CHED COc1cc(C)ccc1-c1noc(-c2ccc(C#N)s2)n1 234901047 OQVLZRCXYIGFJU-UHFFFAOYSA-N 297.339 3.654 30 20 CHED CSC[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 91208182 FBKHFQQRWGYXGX-SECBINFHSA-N 296.461 3.855 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)Nc2ccccc2OC(F)F)C1 331293064 QIPTVTUEONHGGB-ZJUUUORDSA-N 284.306 3.803 30 20 CHED CCC(C)(C)N(C)Cc1cccc(OCCCC#N)c1 93279393 UHODIZNFJAEWSK-UHFFFAOYSA-N 274.408 3.990 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cc3cccc(C)c3o2)n1 146845927 PWMAYMHSMHKZKD-GFCCVEGCSA-N 296.351 3.996 30 20 CHED CCC(CC)(CC)N/C(O)=N/CC1C[C@H](C)O[C@@H](C)C1 330959929 XJVSDZLMUHZQOM-STQMWFEESA-N 284.444 3.662 30 20 CHED Cc1ccc(CN2CCC[C@@](C)(C#N)C2)c(Cl)c1 618541866 XFZWVTQMXRUYBJ-HNNXBMFYSA-N 262.784 3.774 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc([S@](C)=O)cc1 90221185 VUPRRBYEHQVWHN-DNVCBOLYSA-N 279.449 3.649 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cnc(CC)s1 92504229 KAOQRYVIEFJUAP-UHFFFAOYSA-N 297.427 3.765 30 20 CHED N#CCC[C@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 343336835 ZFBKWNGECKCMJW-UQVLAFNGSA-N 296.414 3.974 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ncccc1Cl 528528377 YLOVWLCRLKIWQU-GFCCVEGCSA-N 285.778 3.800 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CCC2CCC2)cc1 345800117 LRHUSGLDNWBKHY-MRXNPFEDSA-N 270.376 3.510 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 432478212 OSBHNKUNRKTDOS-UHFFFAOYSA-N 291.351 3.627 30 20 CHED CCN(CCC#N)[C@@H](C)c1cccc(Br)c1 346665787 IKXMOTGBYUZJEA-NSHDSACASA-N 281.197 3.746 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 524103111 NDYAPYVHAZTLFN-MAUKXSAKSA-N 298.430 3.918 30 20 CHED COc1ccc(Br)c(NC[C@@H](C)CCC#N)c1 602497922 XXCJONJQJBFEFR-JTQLQIEISA-N 297.196 3.809 30 20 CHED C[C@@H]1Sc2ccccc2N(CC2(C#N)CC2)[C@@H]1C 343299349 GPCCKSGQCQJQRH-NEPJUHHUSA-N 258.390 3.679 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc2[nH]ccc2c1 432866702 PGVITMVFSIHZCI-UHFFFAOYSA-N 271.364 3.892 30 20 CHED CC(C)[C@@H]1CCC[C@H](N[C@H](C)CC2(C#N)CCOCC2)C1 602543334 BFWFQKLZPIPXAH-ZACQAIPSSA-N 292.467 3.890 30 20 CHED N#CCN(C(=O)c1cc2c(Cl)cccc2s1)C1CC1 604481762 TVPGHOOVXUFHHC-UHFFFAOYSA-N 290.775 3.683 30 20 CHED N#Cc1cnccc1/C=C\c1csc(-c2ccccn2)n1 527054078 XLQWWYXEXFDCAC-PLNGDYQASA-N 290.351 3.642 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc2[nH]ccc2cc1C 529122018 TZPLZVFOQWLDGI-UHFFFAOYSA-N 269.348 3.745 30 20 CHED C[C@@H](CN(C)c1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 608974443 WXKBVJWZKSKYSX-ZDUSSCGKSA-N 295.342 3.706 30 20 CHED CC(C)n1ccnc1SCc1cccc(C#N)c1F 340856087 OMVJZHVHUNAUNP-UHFFFAOYSA-N 275.352 3.767 30 20 CHED C=CC[C@H](C(=O)N(C)CCCSC)c1ccccc1 342149538 AACZUUKQRGTRJB-HNNXBMFYSA-N 277.433 3.558 30 20 CHED C/C(Cl)=C\CN(Cc1ccc(C#N)cc1)C1CC1 528360648 PMHFUOIJWKSSAA-XYOKQWHBSA-N 260.768 3.665 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(SC2CC2)cc1 341299526 DDSSMTFQTCUETE-NSHDSACASA-N 261.390 3.636 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cc2cscc2s1 529430552 YKQCYVFRHJELDQ-UHFFFAOYSA-N 278.402 3.585 30 20 CHED C=C(CNC(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 348171619 SIGRLZZIKVDBBU-UHFFFAOYSA-N 294.354 3.724 30 20 CHED C=CCCCCCN(C)C(=O)CCn1cnc2ccccc21 606883239 HPUPVPHJQNSOJM-UHFFFAOYSA-N 299.418 3.631 30 20 CHED Cc1cc(C)c(NC(=O)NCCCCC#N)c(Cl)c1 609147464 WXRBOHHZDBLCEG-UHFFFAOYSA-N 279.771 3.772 30 20 CHED C=CCC(C)(C)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] 449341926 XLZKOIVGVAIUFO-ZDUSSCGKSA-N 276.380 3.718 30 20 CHED C[C@H](c1noc(-c2cc(C#N)cs2)n1)C(C)(C)C 356878933 JYIWOCSDSYFCKC-MRVPVSSYSA-N 261.350 3.819 30 20 CHED C=CCOc1ccc(CN2[C@H]3CCC[C@H]2CC3)cc1OC 353881305 LRFTWVCTWNNIBP-HOTGVXAUSA-N 287.403 3.777 30 20 CHED CCN(CCC#N)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 266923504 NLBOLURQDBRDCG-SNVBAGLBSA-N 299.201 3.859 30 20 CHED C=CCCC1(C(=O)N2CCc3cc(C)ccc3C2)CC1 357056045 WYVVXFDXRPRLOV-UHFFFAOYSA-N 269.388 3.626 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCCOc2ccccc21 352901237 LNCGHYDLXVHYMI-HIFRSBDPSA-N 288.391 3.554 30 20 CHED CC(C)(C)CSCc1nnc(-c2cccc(C#N)c2)o1 440600741 JHBKAKSDROLYRB-UHFFFAOYSA-N 287.388 3.888 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncc(-c2ccccn2)s1 359408462 FBKFDOSVHKMFTM-UHFFFAOYSA-N 299.399 3.912 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@](C)(CCC)C1)OCC 534421664 YLPHHZIEGZBAAF-NVXWUHKLSA-N 281.440 3.787 30 20 CHED Cc1cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)ccc1C#N 618752349 MFSNRCAHPJLDSJ-SJLPKXTDSA-N 298.430 3.505 30 20 CHED C[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 618831420 QDLPCQOJPDKOFW-AUUYWEPGSA-N 276.383 3.939 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1occc1C 352376280 MYZFGKAKWVLKEN-UHFFFAOYSA-N 271.360 3.785 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 610407143 QTOQDKCKQXGCKT-RHSMWYFYSA-N 299.418 3.839 30 20 CHED C=C(CC)CS[C@H](C)C(=O)NCc1ccc(C)cc1 536880553 DLBVQFZBOJGLBT-CQSZACIVSA-N 277.433 3.699 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NCc1ccc(C#N)s1 538413132 XKBKVMCZGANCEK-RISCZKNCSA-N 262.422 3.924 30 20 CHED N#Cc1cccc(Nc2cnn(-c3ccc(Cl)cc3)c2)n1 357608833 OHFHVKCXQQTILL-UHFFFAOYSA-N 295.733 3.536 30 20 CHED C=CCN(C(=O)[C@@H](C)CSc1ccc(F)cc1)C1CC1 536816660 USCDCIJOIXOGGJ-LBPRGKRZSA-N 293.407 3.731 30 20 CHED C=CCCSCc1nc(-c2ccc(F)cc2)no1 610092618 PUSMGRBGVZCZAK-UHFFFAOYSA-N 264.325 3.685 30 20 CHED CC(C)[C@@H](NCCCCC#N)c1ccc2nc(O)oc2c1 359378796 CIXRQFDKFFMPSV-OAHLLOKOSA-N 287.363 3.514 30 20 CHED C[C@H](C#N)CSc1ccccc1NC[C@@H]1CCCOC1 610897179 RIBHFNZODRRIRV-KGLIPLIRSA-N 290.432 3.777 30 20 CHED C=CCN(C(=O)CCCC(=O)C(C)(C)C)c1ccccc1 615001720 IBYBEOYMXYUCEV-UHFFFAOYSA-N 287.403 3.991 30 20 CHED C[C@H](C(=O)N(C)c1cc(Cl)ccc1C#N)c1ccco1 610794837 ZRTZWPPOADXOSI-JTQLQIEISA-N 288.734 3.571 30 20 CHED CC(C)[C@@H](CNC[C@H](C)CCC#N)Nc1ccccc1 618887685 DXHMVVUAJKCDLG-NVXWUHKLSA-N 273.424 3.653 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(CCO)cc1 611475958 AMMMKRKQLYYKDG-IBGZPJMESA-N 292.382 3.583 30 20 CHED C=CCC1(NC(=O)c2cc(C(C)C)no2)CCCCC1 456364303 JKNFGQFODAYEPW-UHFFFAOYSA-N 276.380 3.807 30 20 CHED C=CC(C)(C)CNC(=O)NCCCc1c[nH]c2ccccc12 455360548 BXKHRGWWHJPCCZ-UHFFFAOYSA-N 299.418 3.612 30 20 CHED Cc1ccc(N2[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]2C)nc1C#N 450569644 OTDLLMOKWSVNOD-TUAOUCFPSA-N 297.324 3.817 30 20 CHED C#Cc1cccc(N(C(=O)c2ccn(C(C)C)n2)C(C)C)c1 265012222 LJHMRDYHZVDBTM-UHFFFAOYSA-N 295.386 3.501 30 20 CHED C=CCC[C@H](C(=O)NCc1ncccc1F)c1ccccc1 530311371 CSBPQCTWDHWAAC-HNNXBMFYSA-N 298.361 3.587 30 20 CHED N#Cc1cccc(OCCOc2cc(Cl)ccc2F)c1 534525963 NULMKGTWIRHJMJ-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1ccccc1)c1cccc(C#N)c1 610345559 VWAJDDVWILRTFX-KGLIPLIRSA-N 293.370 3.680 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(C)cc(C#N)c1 455950886 GOTDBCQFVVEWAJ-WFASDCNBSA-N 271.364 3.662 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 612239021 FBUHTMJOJREJAY-ARFHVFGLSA-N 276.424 3.729 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cnn([C@@H](C)C2CC2)c1 455204334 IBIRORYFGMAXOV-LBPRGKRZSA-N 290.411 3.578 30 20 CHED N#C[C@H](C(=O)c1ccccc1)c1cc(C(F)(F)F)ccn1 362115513 DJKIRQQCDAPQAC-LBPRGKRZSA-N 290.244 3.590 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)c1ccccc1)OCC 270134047 PWGUIBKFVXWFGI-GOEBONIOSA-N 275.392 3.577 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)NCC(C)(C)CCC#N 454959207 MAYADHWVBORPAI-HUUCEWRRSA-N 293.455 3.832 30 20 CHED C=CCC[C@@H](C)NC[C@@H](CO)Cc1c(F)cccc1Cl 544567397 BZMDYVFSRNXLFW-OLZOCXBDSA-N 299.817 3.574 30 20 CHED C=CCCc1noc(CO[C@@H]2CCCC[C@H]2CC)n1 453229273 GOQLUAZFRFIPAI-CHWSQXEVSA-N 264.369 3.674 30 20 CHED N#CCCCC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 457054685 BROXDIQHTHSBOL-DZGCQCFKSA-N 290.794 3.786 30 20 CHED CC[C@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1 545458535 XXGXPXBSJUIPTI-ZWNOBZJWSA-N 270.298 3.940 30 20 CHED C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 542646395 VDFPCZFCCBKPDA-AWEZNQCLSA-N 293.370 3.678 30 20 CHED COC(C)(C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 271975730 VKOHFEJSPVVDGC-NEPJUHHUSA-N 278.371 3.552 30 20 CHED CCC1(NC(=O)[C@H](C)c2cccc(C#N)c2)CCCCC1 456229835 KNVJXQWXJULZEB-CQSZACIVSA-N 284.403 3.891 30 20 CHED C=C(C)CCNC(=O)c1ccc(O[C@H](C)CC)cc1 452716079 GIWRVERCXVKPMJ-CYBMUJFWSA-N 261.365 3.560 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2nc3ccccn3c2C#N)o1 541113070 ODIRLCIDCOPZLB-YPMHNXCESA-N 292.342 3.534 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)CSC 279568872 PNSOZCHKAYDOIP-CQSZACIVSA-N 292.448 3.526 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1c(C)c2ccccc2n1C 541794958 YIORDJBVZBQLJR-AWEZNQCLSA-N 299.418 3.641 30 20 CHED CC#CCN[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 544462065 NDNIPCDLDPPOPB-RYUDHWBXSA-N 269.310 3.810 30 20 CHED CCC1(C(=O)N[C@H](C#N)c2ccccc2F)CCCCC1 461092188 PVXBKPXXSCLXTQ-OAHLLOKOSA-N 288.366 3.867 30 20 CHED C#CC[C@@H](N[C@@H](C)c1nccs1)c1ccccc1 271538690 QOKVRYHSOWYBSX-GXTWGEPZSA-N 256.374 3.558 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C)nn1CCCCC 467971358 VYTIGOGAQZEWRZ-MRXNPFEDSA-N 277.412 3.923 30 20 CHED C=CCCN(C)C(=O)[C@@H](CC)Sc1ccccc1 466642902 ZTOMJBSLVAYYJR-CQSZACIVSA-N 263.406 3.592 30 20 CHED CCCN(CC#N)C(=O)c1csc2cc(C)ccc12 280854062 YHTNYOJSJADQCE-UHFFFAOYSA-N 272.373 3.586 30 20 CHED C=CCN(C(=O)[C@@H](CC)c1ccccc1)C(C)(C)C 622942233 ARWRMEUYXWYKRI-HNNXBMFYSA-N 259.393 3.993 30 20 CHED CC[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)C(C)C 460042200 RUCMQIKLSLSIHJ-MRXNPFEDSA-N 286.419 3.678 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 625758781 IKPDZTBKDUWLID-KZNAEPCWSA-N 283.415 3.777 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(Cl)cc2OC)no1 289020730 FOWPURXBCFUHBR-UHFFFAOYSA-N 290.750 3.700 30 20 CHED C=CCN(C(=O)N[C@@H]1CCc2sc(Cl)cc21)C1CC1 462049490 XSHLOZGVRZJDIT-LLVKDONJSA-N 296.823 3.749 30 20 CHED C=CCC[C@@H](Nc1cc(CCOC)ccn1)c1ccco1 286947284 BKBYQUPVZIOKLH-OAHLLOKOSA-N 286.375 3.983 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cccc(F)c1 281048788 SEZZFKUULCNSNC-BQYQJAHWSA-N 272.323 3.808 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 466976560 VXWPGGGQKZJBPZ-LLVKDONJSA-N 298.333 3.567 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1[C@H]1C[C@H]2CC[C@H]1C2 639404190 KZUGHIZSJQOBOY-HPZZRFSDSA-N 282.387 3.503 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C)c(OCC)c1 551774967 NHVPDHQWYMEWKS-UHFFFAOYSA-N 284.359 3.634 30 20 CHED CC(C)C1CCC(NC(=O)c2ccc(F)c(C#N)c2)CC1 556449125 PKWBHGJDMPAGOZ-UHFFFAOYSA-N 288.366 3.642 30 20 CHED C#CCCCC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 285856264 PVPWAVMFNYOXGS-GOSISDBHSA-N 283.415 3.759 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)CC(C)(C)C#N 556908376 IUQSYRRHHPICON-UHFFFAOYSA-N 271.191 3.975 30 20 CHED Fc1c(Cl)cccc1C=NNCC1CCCC1 808006138 RFIOWHLXJCOGRY-UHFFFAOYSA-N 254.736 3.593 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 296144849 JFJPUSPEZLXHDY-GJZGRUSLSA-N 283.375 3.601 30 20 CHED CS[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 294902417 DZGCCRLCSDLPOV-JTQLQIEISA-N 286.322 3.519 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)c1cccc(F)c1 802749400 BMHUWSLHFOIEAO-WDEREUQCSA-N 253.342 3.549 30 20 CHED C=CCC[C@@H](O)CN(C1CC1)[C@@H]1CCCc2ccccc21 472750924 LSCDCHIAZVBHPS-IEBWSBKVSA-N 285.431 3.856 30 20 CHED C#CCOc1ccc(CN[C@@H](CC)c2ccccc2O)cc1 294986732 KHPICMHWJUFJGA-SFHVURJKSA-N 295.382 3.645 30 20 CHED Cc1cc(Nc2nc(Cl)c(C#N)s2)ccc1N(C)C 804351398 YCTAZZSSPXFZNA-UHFFFAOYSA-N 292.795 3.786 30 20 CHED c1cnc(C2CCC2)c(NN=C2CCC23CCCC3)n1 807991656 ORTWIGKDTMNQNB-UHFFFAOYSA-N 270.380 3.866 30 20 CHED C#CC(C)(C)NC(=O)c1coc2ccc(C(C)C)cc12 804376740 JCPGIXPEXWXLPM-UHFFFAOYSA-N 269.344 3.698 30 20 CHED CCCCCCCCC(=O)Nc1nnc(C)n1C1CC1 803762783 JDQBOAXYCBMDLT-UHFFFAOYSA-N 278.400 3.611 30 20 CHED C=CCCc1noc(C(C)(C)COCc2ccccc2)n1 297445873 WMUKCNJDUSSXES-UHFFFAOYSA-N 286.375 3.683 30 20 CHED C#CCC(C)(C)c1nc(Cc2ccc(OC(C)C)cc2)no1 809318504 IAOQFHPLGHQVKV-UHFFFAOYSA-N 298.386 3.749 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@H](OC)C1)c1ccc(Cl)cc1F 809698720 FWQGEBYHSSYXSS-WWGRRREGSA-N 295.785 3.701 30 20 CHED C=CCCCN[C@@H](c1nc(C)cs1)C(F)(F)F 295311653 GAXALRVNMKLCPL-VIFPVBQESA-N 264.316 3.611 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc(F)cc2Cl)CC12CCCC2 297904557 QIJOGJHAXMXVOR-OAHLLOKOSA-N 292.741 3.892 30 20 CHED C=CCC(C)(C)CNC(=O)NC(C)(C)c1ncc(C)s1 297471557 RUQBIKTWGFVBHF-UHFFFAOYSA-N 295.452 3.588 30 20 CHED CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCC[C@@H]1C(C)(C)C 562811933 OGLIWERPRMKWHT-JKSUJKDBSA-N 273.424 3.543 30 20 CHED C#C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1ccccc1)C(C)(C)C 808316086 PNPUYAKWVJKGOJ-HZPDHXFCSA-N 298.430 3.827 30 20 CHED CC(C)CC[C@H]1CCCCN1Cc1ccc(C#N)cn1 567910592 CLWOAXZBXJBWTE-QGZVFWFLSA-N 271.408 3.744 30 20 CHED Cc1nc(NC[C@@H](c2cccnc2)C(C)C)ccc1C#N 291805413 FAYOEBHBYVZZQN-MRXNPFEDSA-N 280.375 3.508 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@H](COCC)C1 806005064 JSBPCIBTMTVMMO-INIZCTEOSA-N 296.455 3.581 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(OCCCC)cc1C 806225762 WFQKIZQPGZRCLQ-CQSZACIVSA-N 288.391 3.707 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1scc(C)c1C#N 297923127 XXVCTYGJGVYNOH-WDEREUQCSA-N 262.378 3.693 30 20 CHED Cc1cc(C(=O)N2CCCc3cc(C#N)ccc32)sc1C 297912903 XOXHNCNBBLHMEA-UHFFFAOYSA-N 296.395 3.830 30 20 CHED C=CCCCC(=O)N1Cc2ccccc2OC(C)(C)C1 290155592 OVXAJSYBEJEZJO-UHFFFAOYSA-N 273.376 3.543 30 20 CHED Cc1cccc(C2(NC(=O)CCCC#N)CCCC2)c1 291472590 KVNJNKVPSXLZMT-UHFFFAOYSA-N 270.376 3.574 30 20 CHED CC[C@H](Sc1ccc(C#N)cc1)C(=O)OC(C)(C)C 478711190 DIEOWSGJFPHKOR-ZDUSSCGKSA-N 277.389 3.771 30 20 CHED C=CCN1CCC(N[C@@H]2CCc3ccc(Cl)cc32)CC1 479618884 XDZBMDHUAJASBE-QGZVFWFLSA-N 290.838 3.567 30 20 CHED CC(=NOCC(F)(F)F)c1c(F)cccc1Cl 807978675 ZKYYJUQSPLIGRU-UHFFFAOYSA-N 269.625 3.782 30 20 CHED CSc1ccc2c(c1)[C@H](NCCCC#N)CCC2 564972670 MTXCZYZGIIOKLI-OAHLLOKOSA-N 260.406 3.679 30 20 CHED CC(C)C[C@H]1CCCCCN1Cc1cc(C#N)n(C)c1 483265855 GSNZEOYTOXAENH-MRXNPFEDSA-N 273.424 3.687 30 20 CHED C1CCC2(CCCC2)C(=NN[C@H]2CCSC2)C1 814933297 KTMIIMLGUBYEQO-LBPRGKRZSA-N 252.427 3.572 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1ccc(C#N)s1 487798502 NJUUYXUXHBRBHG-LLVKDONJSA-N 264.394 3.708 30 20 CHED CC#CCCNC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 483157353 OVKOCHMOSNINDG-INIZCTEOSA-N 286.419 3.795 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2cccc(Cl)c2[nH]1 561226945 TYBASKWUTKDHDD-AWEZNQCLSA-N 277.755 3.757 30 20 CHED C=C(C)CN(C)Cc1nc(-c2ccc(C(C)C)cc2)no1 481319324 NZMZAQZXTVWSHQ-UHFFFAOYSA-N 285.391 3.868 30 20 CHED N#Cc1ccc(N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)nc1 561358220 VUKWKKDBOPQMIX-KSZLIROESA-N 289.382 3.726 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1ccc(C#N)c(F)c1 483935128 ZVJCJEZXKKZJSA-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C)c1cccc(OC)c1 488882246 UZWOWCBDDUNDJE-GOEBONIOSA-N 287.403 3.756 30 20 CHED CC(C)CO[C@@H]1CC(=NN[C@H](C)c2ccncc2)C1(C)C 819815284 OQMOERYRYRXHOT-CZUORRHYSA-N 289.423 3.559 30 20 CHED C=CCCCCCCCNC(=O)C[C@H]1CCC(=O)[C@@H]1C 811590152 RAXAYMSEMZHUAA-HUUCEWRRSA-N 279.424 3.635 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)N1CCC(CC#N)CC1 575855896 USVVGARPKUPDQT-CQSZACIVSA-N 291.439 3.681 30 20 CHED Cc1nc(N2C[C@@H](C)C[C@H]2c2ccccc2)ccc1C#N 488020564 BUDNNGKQOJEJQV-GUYCJALGSA-N 277.371 3.849 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1Cl 488827975 BIGFVMPNWACRGX-SECBINFHSA-N 285.721 3.799 30 20 CHED CC(C)c1c(Cl)ncnc1NN=CCC(F)(F)F 817327975 USUFGSBMKOMJAZ-UHFFFAOYSA-N 280.681 3.604 30 20 CHED CCC(CC)CNN=C1CC[C@H](C(=O)O)C(C)(C)[C@@H]1C 814906266 MMLRSGPBYWWRSE-DGCLKSJQSA-N 282.428 3.525 30 20 CHED CCOc1ccc(C(C)=NOC/C=C/Cl)cc1OCC 811671806 XGTHROBRYXFPNY-VFXUPEKQSA-N 297.782 3.977 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2C[C@H]2C2CCC2)s1 571169374 IUJWGIRZGYEYNE-QWHCGFSZSA-N 274.389 3.557 30 20 CHED CC(C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)=C1CCC1 819736420 JSAUOBBUVGXQPQ-ZDUSSCGKSA-N 268.360 3.578 30 20 CHED C#Cc1cccc(NC(=O)NC2CC(c3ccccc3)C2)c1 728388804 OZXWZIAZMDLFNK-UHFFFAOYSA-N 290.366 3.736 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 579413551 SBSSTUZDOFXIQT-RUZGCFLTSA-N 268.404 3.960 30 20 CHED C[C@@H]1CCCC1=NNCc1ccc(Br)cc1 729144941 BYTMXDVALDEOFI-SNVBAGLBSA-N 281.197 3.715 30 20 CHED C=CCC(F)(F)C(=O)N(C1CC1)[C@H](C)[C@H](C)CC 815439248 IJOZJEZOKXAPBI-GHMZBOCLSA-N 259.340 3.623 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCOc1ccc(C)c(C)c1 488855406 ONEIGPPNVFTCLS-INIZCTEOSA-N 287.403 3.639 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 577339044 JMGRGMYZGNYBSA-ILXRZTDVSA-N 298.386 3.720 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCc1nn(C)c2ccccc12 657981482 IOGHIYZKGDSZBP-RDJZCZTQSA-N 297.446 3.840 30 20 CHED C#Cc1cccc(NC(=S)Nc2cc(F)ccc2C)c1 726436427 RQGWMESEOZANEI-UHFFFAOYSA-N 284.359 3.924 30 20 CHED CC(=O)c1cc(F)cc(F)c1OCc1ccccc1C#N 729239669 GKYCBMUAGLCPNY-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C/C=C/C=C\C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 491543469 BPGDLKHKZDKKFH-BHYHJWACSA-N 295.169 3.807 30 20 CHED CC/C(C)=C/C(=O)N(CCC#N)CC(CC)CC 823124262 LRPAWJLEFOMWQD-ACCUITESSA-N 250.386 3.521 30 20 CHED N#Cc1ccc(COc2ccc(-c3nncs3)cc2)cc1 575370264 WRMADMNLBIUHFC-UHFFFAOYSA-N 293.351 3.656 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ncccc1F 579066713 BVJQUNYDUCVUJZ-QGZVFWFLSA-N 295.361 3.650 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)COc2ccc(Cl)cc21 588524127 WLNUKQCNDCEJCG-BJMVGYQFSA-N 289.693 3.533 30 20 CHED O=C1/C(=C/c2csc([N+](=O)[O-])c2)CCc2sccc21 726890491 FXTBHKCZRGZEOZ-WEVVVXLNSA-N 291.353 3.930 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(C#N)ccc1C 826583216 ZIBLMKALYOJOCK-DZGCQCFKSA-N 270.376 3.660 30 20 CHED COc1cc(N=Cc2ccccc2O)ccc1Cl 588610462 NGXPZEGYZIKORP-UHFFFAOYSA-N 261.708 3.805 30 20 CHED N#CCCCCCC(=O)Nc1ccc(Cl)c(F)c1 588151645 DHJBAPAFZADHHA-UHFFFAOYSA-N 268.719 3.892 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 909287684 IOWXEGYNBPCHGB-KRWDZBQOSA-N 289.375 3.590 30 20 CHED CC(C)CC1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 826937780 MMWJSMOZNQTFGU-SFHVURJKSA-N 288.435 3.745 30 20 CHED C=CCCCOC(=O)COc1cccc(C(F)(F)F)c1 735523539 NMGDAQHKFDAUSH-UHFFFAOYSA-N 288.265 3.594 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1cccc(CC#N)c1 582650203 NVXDYZFJUIDUNZ-KRWDZBQOSA-N 292.382 3.960 30 20 CHED CC[C@H](C)n1ncc(N[C@H]2CC[C@@H](C#N)C2)c1C1CC1 582339644 SHXNSZHMBXYBQM-SCRDCRAPSA-N 272.396 3.836 30 20 CHED CC(=NOCC1CCOCC1)c1cc2ccccc2o1 735488102 BYVCOGDREPEXRD-UHFFFAOYSA-N 273.332 3.600 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc(C(F)F)cc2)nn1 901527027 OOZRGCPGAYNTCY-YVMONPNESA-N 291.301 3.693 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1sc(-c2ccccc2)nc1C 491615066 APBOSSNMKUOLKF-LLVKDONJSA-N 299.399 3.604 30 20 CHED Cn1c(NN=C2CCCC23CCC3)nnc1-c1ccccc1 834940776 QUGTXHUOWJCPLG-UHFFFAOYSA-N 295.390 3.604 30 20 CHED CC(=NNc1cccnn1)c1cc(Cl)sc1Cl 735976638 KSOFGULSEJICEJ-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C=CCC(C)(C)COC(=O)c1ncccc1Br 838972194 QNQZNPIRSZTYRP-UHFFFAOYSA-N 298.180 3.603 30 20 CHED CC(C)c1ocnc1C(=O)O[C@H](C)c1cccc(C#N)c1 732502073 MBHVEGRIHGUKLG-LLVKDONJSA-N 284.315 3.588 30 20 CHED CCC(CC)NN=Cc1cnc(-c2ccccc2)s1 734364654 ADJRVHCYBQSGHT-UHFFFAOYSA-N 273.405 3.922 30 20 CHED C=C(Cl)CNC(=O)C(C)(C)CCCc1ccccc1 736242962 UNUCAVIAVUDIGV-UHFFFAOYSA-N 279.811 3.904 30 20 CHED C[C@H](CNC(=O)Nc1cccc(CC#N)c1)C(C)(C)C 836765176 PURCUDPOVXZZAU-GFCCVEGCSA-N 273.380 3.556 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)Cc1ccc(C)s1 737440185 FEUHNVMPFSHXGW-MTUBTWAWSA-N 289.400 3.821 30 20 CHED C[C@H]1CN(c2ccc(Cl)c(C#N)n2)Cc2ccccc21 731478350 CTXFBXFTOZGDEL-NSHDSACASA-N 283.762 3.730 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc2c(c1)OCCO2 733749797 ZLZKTGWKSUVJLV-RQOWECAXSA-N 286.352 3.724 30 20 CHED CCN(C(=O)C#CC(C)(C)C)[C@H](C)c1cccc(OC)c1 837343054 XFRARPXIIQDKAU-CQSZACIVSA-N 287.403 3.654 30 20 CHED Cc1ccc(C)c(COC(=O)[C@@]2(C#N)CC23CCCC3)c1 837903594 WEQVUPIEZYFGSD-SFHVURJKSA-N 283.371 3.821 30 20 CHED C=CC1CCN(CCCCCN2CCC(C=C)CC2)CC1 584202923 OODCRMNIQGQBNY-UHFFFAOYSA-N 290.495 3.953 30 20 CHED C=CCN(C(=O)N[C@@H](CC)C1CCCC1)C(C)C 838702182 DKBVFUFNYCLVOA-AWEZNQCLSA-N 252.402 3.561 30 20 CHED C#CCN(C(=O)Nc1ccc(F)c(F)c1)C1CCCCC1 731899775 SRYDLMISKZASBN-UHFFFAOYSA-N 292.329 3.765 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccccc2C(F)(F)F)C1 839054067 GSHPJIPJNAECID-QWRGUYRKSA-N 297.276 3.945 30 20 CHED CSc1ccccc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839060366 ZYCQIOBIVAHDMC-NEPJUHHUSA-N 275.373 3.648 30 20 CHED CCO[C@H]1CCN(c2cccc(C(F)F)c2C#N)C[C@@H]1C 594583526 SQFRTYUTZLXIAQ-NHYWBVRUSA-N 294.345 3.747 30 20 CHED CC(C)Cc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1 597919275 YXPGDTVQPVTEIV-INIZCTEOSA-N 284.403 3.651 30 20 CHED CC(C)c1nnc(S)n1N=Cc1ccc2ccccc2c1 916311015 WBGOLPBXNYRRFV-UHFFFAOYSA-N 296.399 3.726 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CC[C@@H]1c1ccccc1 598304499 HCYNCXUHRPSZMJ-HZPDHXFCSA-N 270.376 3.523 30 20 CHED C=C(CNC(=O)Cc1coc2ccccc12)c1ccccc1 672481771 ARDWUSXSCFDFDC-UHFFFAOYSA-N 291.350 3.805 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CC1(Cl)Cl 745261466 WJCNKKJCADRANM-AWEZNQCLSA-N 295.213 3.740 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc(C(F)F)nc1 847703169 ZPUPPEDEVGBJRY-UHFFFAOYSA-N 282.290 3.506 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)N(CCC#N)CC(C)C 840293565 YGBPEHSQFYAJHS-MRXNPFEDSA-N 294.439 3.513 30 20 CHED COc1ccc(/C=C2\CCc3c(O)cccc3C2=O)cc1F 742434474 HZUHOSDZTLXLGN-FMIVXFBMSA-N 298.313 3.752 30 20 CHED CC[C@H](C#N)C(=O)NC1CCC(c2ccc(F)cc2)CC1 593593559 CTJHJINYKYYKLZ-XEBKBJJBSA-N 288.366 3.518 30 20 CHED N#Cc1ccccc1SC[C@@H]1CC1(Cl)Cl 917092750 ZPLGVHMLCHKWKD-VIFPVBQESA-N 258.173 3.844 30 20 CHED N#Cc1ccc(N(C(=O)[C@@]23CCC[C@@H]2C3)C2CCC2)cc1 598886900 YBJCXWLIZPUJRZ-RDTXWAMCSA-N 280.371 3.634 30 20 CHED CC(C)c1nccnc1NN=C1CCCCC[C@@H]1C 844594433 RXHCTFJOBPHGBU-LBPRGKRZSA-N 260.385 3.968 30 20 CHED C=CCCCCCN1CCC[C@@H](C[C@@H]2CCOC2)C1 683785709 OSAIUFFOPIJUGK-IRXDYDNUSA-N 265.441 3.871 30 20 CHED CCCC(C)(C)C(=O)OC[C@@H](C#N)Cc1ccccc1 845485092 VPBUARIZPCOVKE-OAHLLOKOSA-N 273.376 3.738 30 20 CHED CC(CCCCC#N)=NN[C@H](C)COc1ccccc1 841640019 WLVDHXFDJHEPTK-OAHLLOKOSA-N 273.380 3.503 30 20 CHED CCCCCC[C@@H](C)NN=C1CCN(CC)C[C@@H]1C 743450193 HGUKKBNHZJDWHV-LSDHHAIUSA-N 267.461 3.653 30 20 CHED COC(=O)Cc1ccc(NN=C2CCC[C@@H]2C(C)C)cc1 844606379 WEGOZANCNDDOLP-OAHLLOKOSA-N 288.391 3.626 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccccc1C#N 748445851 HASFDFVCDHTMQR-LSDHHAIUSA-N 297.379 3.775 30 20 CHED CCCC(C)(C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 845532186 UREMBPKLSLLCJP-GFCCVEGCSA-N 281.359 3.632 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cc(-c2ccccc2)no1 925429779 IUYZRCICZYDVFE-CHWSQXEVSA-N 256.349 3.957 30 20 CHED N#C[C@@H](OC(=O)c1cnc(F)c(Cl)c1)C1CCCCC1 924233529 QTTMTOHNGHBRHH-GFCCVEGCSA-N 296.729 3.503 30 20 CHED Cc1ccnc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 755907152 VRNVMIVCDYTAOK-RFGFWPKPSA-N 255.365 3.614 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cc(OC)ccn2)cc1 926402460 TZESZWRXPWTNSW-CQSZACIVSA-N 298.386 3.506 30 20 CHED C=CCCOCc1nc([C@@H](C)c2ccccc2C)no1 680790607 CGGRHBWFMCGFHJ-ZDUSSCGKSA-N 272.348 3.623 30 20 CHED COc1cc(Cl)cc(C(=O)O[C@H](C)CC(C)(C)C#N)c1 851206590 VBGMJEDSMIWDCA-SNVBAGLBSA-N 295.766 3.834 30 20 CHED CCCc1nc(C)c(C(=O)O[C@H](C)CC(C)(C)C#N)s1 851211475 IGWWGRXDLIEQJN-SNVBAGLBSA-N 294.420 3.889 30 20 CHED CC(C)OC(=O)O[C@H](C)Sc1ccc(C#N)cc1 756945867 HADPREMPZIOYPH-JTQLQIEISA-N 265.334 3.558 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1F)c1cscn1 758061890 FESBBNTUJMLDLA-ZPUQHVIOSA-N 277.295 3.874 30 20 CHED CCc1ccc(C(C)=NNc2cc(F)cc(OC)c2)o1 759213281 XYQCLCLWDYFVQW-UHFFFAOYSA-N 276.311 3.826 30 20 CHED Cc1cc(C)c(NC(=O)[C@H](C)ON=CC2CC2)c(Cl)c1 853735432 SVDPHIYPOKKMBL-NSHDSACASA-N 294.782 3.696 30 20 CHED C=C(C)CN[C@H](c1ccc(OC)cc1)c1ccccc1OC 751563166 PMFHIAYUPZHVLN-LJQANCHMSA-N 297.398 3.959 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(Cl)cc1 858186558 GNEZQUQSBCRXMG-UHFFFAOYSA-N 251.713 3.575 30 20 CHED CCCn1nccc1/C=C1\CCc2ccc(C)cc2C1=O 853007608 XPYNFSWLBWZKEW-NTCAYCPXSA-N 280.371 3.814 30 20 CHED CC[C@H](C)Oc1ccc(NC[C@@H](O)CC(C)(C)C#N)cc1 857238307 LUQWCTCBOBNPBI-ZFWWWQNUSA-N 290.407 3.577 30 20 CHED C[C@@H]1C[C@H]1C=NNc1nc(-c2ccccc2)cs1 758370444 DEVLWCVBHSCAOV-PWSUYJOCSA-N 257.362 3.864 30 20 CHED CCCCCCCCC(=O)N(C)CC1=CCCOC1 855740235 WFKMSYAMMKFVOX-UHFFFAOYSA-N 267.413 3.542 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@]1(C)CCc2ccccc21 851204761 CXOXXWZTQVEEBP-ACJLOTCBSA-N 285.387 3.762 30 20 CHED Clc1cccc(NN=Cc2cnn(-c3ccccc3)c2)c1 751374934 VGQUZTNUSCALKP-UHFFFAOYSA-N 296.761 3.972 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(C2CC2)[C@H](C)C#N)cc1 855582987 ROISRKGFZWGKFA-CHWSQXEVSA-N 270.376 3.717 30 20 CHED CCSc1ccc(C(=O)/C=C/c2cn(C)nc2C)cc1 755606623 JTDIHCOPBVSUFO-JXMROGBWSA-N 286.400 3.737 30 20 CHED CCO[C@H]1CC(=NNc2cc(F)cc(OC)c2)C12CCC2 759213195 WUBLTWHEDKOAJT-HNNXBMFYSA-N 292.354 3.581 30 20 CHED CC(C)(C#N)CCCCN[C@@H](c1ccncc1)C1CC1 934699338 VTAOVUZLUBJUTH-MRXNPFEDSA-N 271.408 3.842 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)COc1ccccc1C#N 768191389 YLNAGGNECGBQJZ-AWEZNQCLSA-N 295.338 3.550 30 20 CHED C=C(C)CN(CC)C(=O)CSCCCCCC 767877863 ZYHPSFKRZHUDQC-UHFFFAOYSA-N 257.443 3.725 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1cccc(C(C)C)c1 863195516 CIRYIHSPFXMGIV-HJWRWDBZSA-N 268.360 3.748 30 20 CHED CC(C)(C)Oc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 865530697 HTXKPOHBNZTJIG-DZGCQCFKSA-N 272.392 3.646 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1sccc1O 769800187 CKGSNINGVWURTF-UHFFFAOYSA-N 291.763 3.815 30 20 CHED CC(C)[C@H](C#N)OC(=O)CCc1ccc(Cl)c(F)c1 860518335 KFQNMDNRPZPDHC-ZDUSSCGKSA-N 283.730 3.503 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1C[C@@]12CCOC2 763428426 YCYGBOAWRGPDQU-NVXWUHKLSA-N 281.440 3.622 30 20 CHED CCC(CC)NN=Cc1c(F)ccc(F)c1Cl 863094145 FJKRREWCUSVBBD-UHFFFAOYSA-N 260.715 3.730 30 20 CHED C/C=C/C=C\C(=O)OCc1ccccc1C(C)(C)C#N 767977326 JVCVJUMCKOYKMY-QTJNYWJXSA-N 269.344 3.663 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCC(=O)c2ccccc21 862356373 WTODRNZRSLGJFM-MRXNPFEDSA-N 287.403 3.833 30 20 CHED C#CCC1(C(=O)N2CCCC(F)(F)CC2)CCCCC1 862715307 VSXKRKGMPXHONI-UHFFFAOYSA-N 283.362 3.608 30 20 CHED COc1cc(C#N)ccc1NC(=O)/C=C\C1CCCCC1 766649051 MPHKPYJSSGVFJX-NTMALXAHSA-N 284.359 3.642 30 20 CHED COc1ccsc1C(C)=NNCc1ccc(F)c(F)c1 769782169 VUERTMQDFFHALV-UHFFFAOYSA-N 296.342 3.549 30 20 CHED Cc1ccccc1C=NOCc1ncccc1C(F)(F)F 762189000 DCQHIAWLIBLWHZ-UHFFFAOYSA-N 294.276 3.960 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccccc1C(F)(F)F 767067047 GWKFCZCKUSDXDX-LLVKDONJSA-N 297.320 3.932 30 20 CHED Cc1cccc(NN=C(C[C@@H]2CCOC2)c2ccccc2)n1 863160201 UXICVTWNFFPUAJ-HNNXBMFYSA-N 295.386 3.633 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)s1 1118303088 OCWXGODTFLDJIN-CHWSQXEVSA-N 260.406 3.632 30 20 CHED CC1(C)CN(C(=O)c2csc(C#N)c2)CC(C)(C)C1 1117801497 PYPSIRWTTWYNDE-UHFFFAOYSA-N 276.405 3.518 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(C)c(F)c1 860199997 RGXQMRRWWUHFHE-UHFFFAOYSA-N 263.312 3.507 30 20 CHED CC[C@@H](CC#N)Nc1nc(C(F)(F)F)nc2ccccc12 762816360 POCMDKWEXOXXOQ-VIFPVBQESA-N 294.280 3.753 30 20 CHED CCCOc1ccc2[nH]cc(C=NNC3CCCC3)c2c1 768363637 AUMPWAUDVJSMDC-UHFFFAOYSA-N 285.391 3.823 30 20 CHED CC1=CC(=NNc2ncnc3ccsc23)CCC1 764836394 ZGEQNLYSMUIYOV-UHFFFAOYSA-N 258.350 3.589 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(C2CC2)cs1 878175385 QRMLUKGOUPHAHZ-UHFFFAOYSA-N 250.367 3.561 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(Cl)c2O)c1 775713346 IQTQNEYHXISRES-UHFFFAOYSA-N 299.757 3.694 30 20 CHED C#CCCCCCC(=O)NCC1(c2ccccc2C)CC1 779898238 BRVUFXGSAHAKSM-UHFFFAOYSA-N 283.415 3.727 30 20 CHED CSc1ccc(C)c(N=Cc2cccc(O)c2O)c1 775631180 QQVBOFQUHMWXDJ-UHFFFAOYSA-N 273.357 3.879 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cccc(C(=O)O)c2)c1 774137009 DPLXSYUPQJFUPD-SREVYHEPSA-N 280.323 3.898 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc2c(c1)CCN2C 776192554 RHRTZWARFUYKMN-ALCCZGGFSA-N 292.382 3.532 30 20 CHED C#CCCCCC(=O)OCc1coc(-c2ccc(C)cc2)n1 773623645 HYKHJSZJTSRPBT-UHFFFAOYSA-N 297.354 3.887 30 20 CHED COc1cccc(F)c1C(C)=NNc1ccc2[nH]ncc2c1 779811680 IOUBALYVACIMQX-UHFFFAOYSA-N 298.321 3.547 30 20 CHED N#Cc1ccc(-c2nc(-c3cccc(N)c3)no2)cc1Cl 777937069 PZBYFIGUIRJVOW-UHFFFAOYSA-N 296.717 3.511 30 20 CHED COc1cc(C)ccc1[C@H](C)NCc1cc(C#N)ccc1F 773030010 IYFVXTKYEKFRHX-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED CC(C)(C)c1nc(C=NOCCC(F)(F)F)cs1 777457857 ADHBYRFPRRTBRE-UHFFFAOYSA-N 280.315 3.744 30 20 CHED C#CCOc1ccccc1NC(=O)N(CC)[C@@H](C)C(C)C 776089217 UNSSZDFJKDUPRA-AWEZNQCLSA-N 288.391 3.597 30 20 CHED C[C@H](NCc1ccc(CF)cc1)c1ccc(C#N)cc1 777725343 RWVQOMWQKWVDGN-ZDUSSCGKSA-N 268.335 3.879 30 20 CHED CS[C@@H](C)CCC(=O)OCC#Cc1ccc(Cl)cc1 773785808 OMRYTROJSIBHST-LBPRGKRZSA-N 296.819 3.766 30 20 CHED N#C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C1CCCCC1 776359654 MPMVSWOSTSQFGA-QGZVFWFLSA-N 296.370 3.726 30 20 CHED C=C(C)CNC(=O)c1ccc(-c2ccc(F)cc2)cc1F 777833321 BWMWUJBEHDOQBH-UHFFFAOYSA-N 287.309 3.938 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2c(cnn2C(F)F)c1 879249692 YRVCZRIOAPAYLW-UHFFFAOYSA-N 293.317 3.972 30 20 CHED C#CCCCCCC(=O)NCc1cc(C(CC)CC)no1 779967111 KFRPUDFVHWSDTJ-UHFFFAOYSA-N 290.407 3.778 30 20 CHED C=C(CC)COC(=O)[C@H](C)c1c(F)cccc1F 773542913 AMLWNWJTBOOIJU-SNVBAGLBSA-N 254.276 3.578 30 20 CHED CCC(CC)CNN=Cc1ccc(SC)c(OC)c1 774471363 KHZNJZXUOJKCJZ-UHFFFAOYSA-N 280.437 3.777 30 20 CHED C/C=C(\CC)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887701962 RBEXTURLYDRFDW-CRKCGEKBSA-N 282.387 3.621 30 20 CHED C#CCN(Cc1cccc(C)c1O)[C@H]1CCc2ccccc21 775630084 JMVLJVXQVPRGFV-IBGZPJMESA-N 291.394 3.823 30 20 CHED C[C@H](CCSc1ccccc1)OC(=O)C1(C#N)CCC1 770020089 JDMONCIWRGOYNK-CYBMUJFWSA-N 289.400 3.794 30 20 CHED N#CC1(COC(=O)c2cccc(Nc3ccccc3)c2)CC1 775859456 KKXAAWPHQSDPAR-UHFFFAOYSA-N 292.338 3.891 30 20 CHED CCC[C@H](NC(=O)c1ccc(C)c(C#N)c1)C1CCCC1 1129637509 GPYBLNBWIASDMJ-KRWDZBQOSA-N 284.403 3.955 30 20 CHED C=CCC[C@H](CCC)Nc1ccc(OC)c(NC(N)=O)c1 787314096 ATPLEDZJQXHZDS-LBPRGKRZSA-N 291.395 3.733 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cc(C)on2)c1 788642020 GQYZPQJBAXYRBS-ZFWWWQNUSA-N 299.374 3.515 30 20 CHED C/C=C/C=C\C(=O)Nc1cccc(C#Cc2ccccn2)c1 880600985 INNOMZBMLVCXGH-ICKRUQPGSA-N 288.350 3.552 30 20 CHED CC(F)(F)CCC(=O)OCc1ccc(C#N)cc1Cl 784209880 VDEYXZPHFWAJFQ-UHFFFAOYSA-N 287.693 3.690 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccnc(Cl)c1 784832154 JIXICXOJYMPEHN-AWEZNQCLSA-N 269.735 3.706 30 20 CHED CC#CCCCC(=O)Nc1cnc(Cl)cc1Cl 890999380 GFTLZROWCOUFHI-UHFFFAOYSA-N 271.147 3.521 30 20 CHED CC(C)(C)c1ccc(C#N)c(SCc2ccncc2)n1 896959416 XJSBXBXJZVZGQQ-UHFFFAOYSA-N 283.400 3.938 30 20 CHED CC(C)(C)CCCCC(=O)N(CC#N)c1ccccn1 892477598 VGZPXHNWVNCQTN-UHFFFAOYSA-N 273.380 3.545 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1cncc(C)c1 783871691 YKQHPLMJGNXFNG-UHFFFAOYSA-N 296.370 3.540 30 20 CHED CS[C@H](C)CCC(=O)OCc1ccc(Cl)cc1C#N 780036509 DOUXIKQQQDKIQA-SNVBAGLBSA-N 297.807 3.787 30 20 CHED C=CCC1(c2nc(Cc3conc3C)no2)CCCCC1 896744269 NGGSUVQAAVBXRO-UHFFFAOYSA-N 287.363 3.735 30 20 CHED c1ccc(C2CCC(=NNCCc3ccccn3)CC2)cc1 789104729 IVBSKYCRZLTWFA-UHFFFAOYSA-N 293.414 3.928 30 20 CHED C=C(C)CNC(=S)N(c1cnc2ccccc2c1)C(C)C 788334736 XERYODLVTAJWGJ-UHFFFAOYSA-N 299.443 3.900 30 20 CHED CSc1cc(C(=O)Nc2ccc(Cl)cc2C#N)co1 1131137197 BUPOGGNPJKJINL-UHFFFAOYSA-N 292.747 3.779 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C\c2cn(CC)nn2)cc1 899387418 LPYZKEOOGCULTM-OEYXZAGESA-N 283.375 3.708 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)Nc1sccc1C#N 1207286574 MIIGYEWCWMHQBW-LLVKDONJSA-N 279.409 3.956 30 20 CHED CCCCCCCCC(=O)N[C@@H](C(C)C)C(C)(C)O 791052606 DEXIRUKBFVWDLX-HNNXBMFYSA-N 271.445 3.649 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)C[C@@H](C)C1(F)F 599514769 ZQYYEFFROPULGF-TXEJJXNPSA-N 258.356 3.539 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 791568630 PQRDKYFRLHOLLC-KRWDZBQOSA-N 299.414 3.551 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)Nc1cc(F)cc(C#N)c1 1208346298 SYXGQCDVKDMYJC-ZETOZRRWSA-N 289.354 3.644 30 20 CHED C#CCCCC(=O)Oc1c(Br)ccc(C)c1F 791967946 HDINVWUZOBHYHV-UHFFFAOYSA-N 299.139 3.606 30 20 CHED Fc1cc(NN=CCc2cccc(Cl)c2)ccn1 794928986 KRIXOJPVUZNLAU-UHFFFAOYSA-N 263.703 3.515 30 20 CHED Cc1ccc2c(c1)OCCCC2=NNc1ncccc1F 794980131 FLAYMQIXXVWTFH-UHFFFAOYSA-N 285.322 3.518 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/Oc2ccc(F)cc2C1=O 798370217 GLSPZOQJZGVJEY-GIDUJCDVSA-N 286.306 3.528 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)CCc2ccc(O)cc21 794959807 DQRNSQIRRMTOFM-XFFZJAGNSA-N 286.277 3.883 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)c1ccc(C#N)c(C)n1 1306999590 NYWCPDSMOWCCLT-ZFWWWQNUSA-N 257.381 3.667 30 20 CHED Cc1cccc(-c2cccc(CN=c3cc[nH]c(C#N)c3)c2)c1 1162384813 NNVYHVVUIXIECO-UHFFFAOYSA-N 299.377 3.963 30 20 CHED C[C@@H]1CCc2ccccc2N1CCNCC(C)(C)CCC#N 1319108238 OGRAHKGSLLXZTM-MRXNPFEDSA-N 299.462 3.747 30 20 CHED CCOCc1cccc(NC(=O)CC#Cc2ccccc2)c1 1319211976 ATCQDUSLHXWVOY-UHFFFAOYSA-N 293.366 3.603 30 20 CHED CC[C@H]1CC(=NNc2ccccc2Cl)CCO1 1319247132 WONPHRJHXSFYIP-NSHDSACASA-N 252.745 3.697 30 20 CHED CCC1(CC)CCC(N=c2cc[nH]cc2C#N)CC1 1612327751 WBDVHDZXQGNWPU-UHFFFAOYSA-N 257.381 3.536 30 20 CHED C[C@H](NC(=O)N[C@]1(C)CCCC[C@@H]1C)c1cccc(C#N)c1 1248681337 FNWBOGJUDSQQJA-SUNYJGFJSA-N 299.418 3.887 30 20 CHED C=CCOCCOC(=O)c1ccc(-c2ccccc2)s1 1324253530 GOFLTTJCSHBCTC-UHFFFAOYSA-N 288.368 3.775 30 20 CHED C=C(C)CN(C)C(=O)/C=C/c1ccc(SC)s1 1329274731 QNZAWKLXRBJQJL-FNORWQNLSA-N 267.419 3.518 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCc1ccc(C#N)s1 1326838156 CYLRMFSNKNMGOH-MRVPVSSYSA-N 291.294 3.642 30 20 CHED C=CCCC(=O)COC(=O)c1c(C)c(C)nc2ccccc12 1324794370 ZJRRUZDQGUXWEA-UHFFFAOYSA-N 297.354 3.544 30 20 CHED C#CCCCNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1320676692 IOZSSVAKCCLWKQ-UHFFFAOYSA-N 298.213 3.801 30 20 CHED C#CCN(CC1CC1)C(=O)c1coc2ccc(Cl)cc12 1327221228 IRUIOCSJZCTKND-UHFFFAOYSA-N 287.746 3.572 30 20 CHED C[C@H]1CC/C(=C\c2nnc(-c3ccc(C#N)cc3)o2)C1 1326972188 GSBSQKAETIKPLP-GJSJWPQCSA-N 265.316 3.812 30 20 CHED CN(C[C@H]1CC1(C)C)c1c(Br)cccc1C#N 1652081864 RHDBFHJQOSUUKT-LLVKDONJSA-N 293.208 3.803 30 20 CHED C[C@H]1C[C@H](CCNc2nccnc2C#N)CC(C)(C)C1 1186316692 ZESUGHAFAFHHFX-STQMWFEESA-N 272.396 3.613 30 20 CHED COc1cc(CSc2cc(C#N)ccn2)ccc1Cl 1188628173 VUHOZXGGFHGXKA-UHFFFAOYSA-N 290.775 3.908 30 20 CHED CCc1ccc(C#Cc2nnc([C@@H](C)CC)o2)cc1 1330093675 OFEFBTKDGAHSNM-LBPRGKRZSA-N 254.333 3.545 30 20 CHED Cc1cccc(CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 102601060 WPGBKDBWJHVGQI-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCOCc1ccccc1 1339281175 OJTSUOVXZUPQKG-KRWDZBQOSA-N 287.403 3.551 30 20 CHED CCCCCCCCCc1nnc(-c2cnn(C)c2)o1 1345981894 PTKRWUZFQXEAAQ-UHFFFAOYSA-N 276.384 3.763 30 20 CHED CCC[C@@H](NC(=O)c1csc(C#N)c1)C1CCCC1 1261336471 GQYKZTQUEPPOQM-CQSZACIVSA-N 276.405 3.708 30 20 CHED C=CCC[C@H]1CCCN1c1cc(C#N)cc(Cl)n1 1262711941 NKNKMWPIHBNPCS-LBPRGKRZSA-N 261.756 3.542 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1csc2cc(C)ccc12 1349907142 OCYBWQNIYBDWBD-LBPRGKRZSA-N 286.400 3.974 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)CCc1ccc(F)cc1 1349906902 NAZLAQPOCYQZNJ-CJNGLKHVSA-N 290.382 3.545 30 20 CHED Cc1ccc(F)cc1[C@H](C)OC(=O)c1ccc(C#N)o1 1358148852 FIBMDLUXXYNYHH-JTQLQIEISA-N 273.263 3.517 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 1438137577 PDBQRHCRGWNUKE-AULYBMBSSA-N 296.374 3.589 30 20 CHED Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C)cc(C#N)c2)cc1 1275788561 SSOHSIOTJAPTTK-AWEZNQCLSA-N 294.354 3.581 30 20 CHED Cc1ccnc(SCc2cccc(C#N)c2F)c1 1459253938 MUQXGSVBXCWUHO-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=C(Br)CSc1ccc2[nH]ncc2c1 1459113682 BQYQZPFOEGEUSU-UHFFFAOYSA-N 269.167 3.564 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1ccc(C#N)cc1F 1456650072 SRUAZWCBGQKINJ-ZETOZRRWSA-N 275.323 3.679 30 20 CHED C[C@@H]1CCc2c(C(=O)O[C@@H]3CC[C@H](C#N)C3)csc2C1 1524711523 CXYYYHQGMWEGKR-GRYCIOLGSA-N 289.400 3.722 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2nc3ccccc3s2)c1 1471133258 METJFPOEPLWLLN-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CC(C)C(CN(C)Cc1ccc(C#N)cc1)C(C)C 1621169665 QJZWQMJQGIVJAK-UHFFFAOYSA-N 258.409 3.918 30 20 CHED CCC[C@@H](NCc1ccc(OC)c(C#N)c1)[C@H]1CC1(C)C 1621498178 OSHWEXULOHSZGB-HZPDHXFCSA-N 286.419 3.871 30 20 CHED Cc1ccc(C[C@@H](C)Nc2nccc(C)c2C#N)c(C)c1 1655132029 LAHBAZQUZUTDGD-OAHLLOKOSA-N 279.387 3.922 30 20 CHED C#Cc1cccc(NC(=O)c2c(Cl)cncc2Cl)c1 814265723 WYWPTLQSVZIWMS-UHFFFAOYSA-N 291.137 3.622 30 20 CHED COC1CC(Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1659556145 MTFTWOYZMZISOX-UHFFFAOYSA-N 294.354 3.940 30 20 CHED CC(C)(C#N)CCSCc1ccc(C(=O)O)cc1F 1589554451 ATRHLSLGTGQYOT-UHFFFAOYSA-N 281.352 3.697 30 20 CHED Cc1cccc(N(C)C(=O)Nc2cccc(CC#N)c2)c1 1661887752 FBZOTFCYMLHQTH-UHFFFAOYSA-N 279.343 3.729 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)cn1)c1ccc(C)cc1 1673452271 MJQXBTKLIBGJBP-OAHLLOKOSA-N 294.358 3.535 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C#N)CCc1ccccc1 1595445780 PEHFIXLKYJZQDV-FGTMMUONSA-N 298.430 3.844 30 20 CHED C[C@@H]1CCCCCC1=NNc1cccc(C(=O)O)c1 1776037535 MMKATZFCXNOJKZ-LLVKDONJSA-N 260.337 3.753 30 20 CHED C=CCC(C)(C)CCNc1c(C(=O)O)cccc1[N+](=O)[O-] 1776150788 RGWJDRDOKSUHPM-UHFFFAOYSA-N 292.335 3.697 30 20 CHED O=C(O)c1ccc(NN=C2CCCc3ccccc32)cc1F 1776073300 NCXCHXZKMXDUTL-UHFFFAOYSA-N 298.317 3.676 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1 14202556 FHEOJLQXFIRZHD-SOFGYWHQSA-N 264.324 3.826 30 20 CHED N#Cc1ccccc1OCc1cc(Cl)c2c(c1)OCO2 16338668 YDYDTBOGVCFRKN-UHFFFAOYSA-N 287.702 3.519 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)C[C@H]1CCCCC1(C)C 161891013 VMJIULWBMDNXJU-OLZOCXBDSA-N 264.413 3.647 30 20 CHED CCCCCCCCCOc1ccccc1C(N)=O 168753819 VUVMHUBXVMUZCZ-UHFFFAOYSA-N 263.381 3.915 30 20 CHED CCN(C(=O)c1cccc(F)c1F)c1ccc(C#N)cc1 152017700 JUDAVWAYRIJRLR-UHFFFAOYSA-N 286.281 3.503 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccc(F)c(F)c2)c1 208312273 UTPCUFJINZKPIO-DAXSKMNVSA-N 269.250 3.733 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cccc(CC#N)c2)C1 104725237 VEOJKMBRWROVEP-QFBILLFUSA-N 296.414 3.793 30 20 CHED N#Cc1ccc(F)c(CSc2nccn2C2CC2)c1 21831911 RYGCFHKBKHROPI-UHFFFAOYSA-N 273.336 3.521 30 20 CHED CCOC(C)(C)CNc1ccc(C#N)c(C(F)(F)F)c1 159444630 GFRSQTPIOGFARL-UHFFFAOYSA-N 286.297 3.804 30 20 CHED CCCC1(CNc2snc(Cl)c2C#N)CC1 301659001 SWWRLIUBHFXLSU-UHFFFAOYSA-N 255.774 3.660 30 20 CHED Cc1ccsc1CN(C)Cc1cc(F)ccc1C#N 345780121 XYBBMORTLNCZGO-UHFFFAOYSA-N 274.364 3.699 30 20 CHED N#Cc1ccc(CNCCC2=CCCCC2)cc1F 404191850 DXKASJRQZWHPMA-UHFFFAOYSA-N 258.340 3.677 30 20 CHED C[C@H](C#N)N(C)C(=O)c1sc2ccccc2c1Cl 701168524 CKGVPJXLSDNMMJ-MRVPVSSYSA-N 278.764 3.539 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 425553668 UEHZYNAKYBPDPP-CMPLNLGQSA-N 276.767 3.976 30 20 CHED COc1ccc(CNC2CCC(C)(C)CC2)cc1C#N 87824395 BJEJZOOEHNUMPH-UHFFFAOYSA-N 272.392 3.625 30 20 CHED CC[C@H](O)CCCNc1ccc(C#N)c(C(F)(F)F)c1 357503974 OCDBCXZYLSRFQH-LBPRGKRZSA-N 286.297 3.540 30 20 CHED CC(C)OC1CCC(Nc2cc(C#N)cc(Cl)n2)CC1 703819786 RJOSUUOOVXVKEC-UHFFFAOYSA-N 293.798 3.755 30 20 CHED C=CCC(C)(C)CN[C@H]1CCc2ccc(OC)cc2C1 381148148 KYZDBJHFJWAKET-INIZCTEOSA-N 273.420 3.744 30 20 CHED CC[C@H](C#N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 107240830 AFQGKPKLJLOJHM-JLLWLGSASA-N 297.185 3.515 30 20 CHED CCCCCCC[C@@H](C)C/N=C(\N)Nc1ccccn1 170909495 SNSUGCIETPBQPR-CQSZACIVSA-N 276.428 3.805 30 20 CHED N#Cc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 28963578 FVLZQAWFUJUMHJ-UHFFFAOYSA-N 287.366 3.595 30 20 CHED C=C(Br)CN1CCC[C@H]1C1CCCC1 57754984 FAGKPWLNQKSYTG-LBPRGKRZSA-N 258.203 3.550 30 20 CHED Cc1nc(C)c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)s1 175790590 UJAVIEGKNNJJEF-JTQLQIEISA-N 286.356 3.550 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2sccc2C#N)c1 52032513 IWEABIFLVKZLDG-UHFFFAOYSA-N 270.357 3.513 30 20 CHED N#Cc1ccc(CSc2ccccc2O)c(F)c1 50046891 NKDQVRCOJFHPQM-UHFFFAOYSA-N 259.305 3.695 30 20 CHED CCCCCCCC(=O)Nc1ccccc1C(=O)N(C)C 100168736 LRENZFQDXYSTPY-UHFFFAOYSA-N 290.407 3.687 30 20 CHED C=CCn1c(SCC(=O)C(C)C)nc2ccccc21 170964247 IVBZROYKYNIFNK-UHFFFAOYSA-N 274.389 3.540 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](c1ncccc1C)C(C)C 115840128 QRDAYPJIUZTPGS-OAHLLOKOSA-N 289.423 3.695 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ccc(Cl)cc1 175084753 YLHRRDUXBVZPEH-LLVKDONJSA-N 251.757 3.874 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1cccc(C#N)c1C 178629358 JAWZMWJDNRMWHR-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1-n1nc(C)cc1C 117000038 NPCGMBYXZOXRJF-GFCCVEGCSA-N 298.390 3.575 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCCCC 63400051 WMAZHMCYKNCGEZ-UHFFFAOYSA-N 299.418 3.836 30 20 CHED CCOc1ccccc1CN(C)Cc1cc(F)ccc1C#N 177323206 JZFYGVJUWHRQCM-UHFFFAOYSA-N 298.361 3.728 30 20 CHED COCc1cccc(OCc2cn3ccccc3c2C#N)c1 177598076 FTZGSJYYACDDKC-UHFFFAOYSA-N 292.338 3.536 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1NCC1CC1 301556854 WTXJWSQDSSHLHA-UHFFFAOYSA-N 257.724 3.582 30 20 CHED C[C@@H](CCNc1nccc(C#N)c1[N+](=O)[O-])CC(C)(C)C 302623555 FCCFXDBIVNHLPE-NSHDSACASA-N 290.367 3.736 30 20 CHED CC(C)Oc1ccc(Cl)cc1C(=O)NCCCCC#N 171498805 AZKRCXGZPPHKAS-UHFFFAOYSA-N 294.782 3.551 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H]2C[C@@H]2C2CC2)c1 177101449 VFVKXKVRFFZBBV-CVEARBPZSA-N 271.360 3.626 30 20 CHED C[C@H](C#N)CNC(=O)CC1CCC(C(C)(C)C)CC1 178194918 XHJLFPJLVMIIQX-IYXRBSQSSA-N 264.413 3.505 30 20 CHED CC1(CNc2nccc(C#N)c2[N+](=O)[O-])CCCCCC1 302030661 RXQJYTRDFXDUGN-UHFFFAOYSA-N 288.351 3.634 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(C#N)cc1Cl 410589704 MECIKUUVFXZPMD-ZUZCIYMTSA-N 276.767 3.976 30 20 CHED CC(C)Oc1ccc(OC(=O)C2(C#N)CCCCC2)cc1 172178305 NXDWUGFVRVEOAB-UHFFFAOYSA-N 287.359 3.853 30 20 CHED C[C@@H]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@H](C)C1 301291798 UETVWUAEWXANJD-NQMVMOMDSA-N 269.801 3.905 30 20 CHED C=CCCCC(=O)NC1(c2cccc(Cl)c2)CC1 175746533 UCRSLDBLZOIUSS-UHFFFAOYSA-N 263.768 3.802 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(OC)cc1)c1ccccc1 121592966 BRKHYWYXKWRAFG-CQSZACIVSA-N 281.355 3.994 30 20 CHED N#CCc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1 120875297 PLFOQVJLHODLEZ-SFHVURJKSA-N 290.366 3.885 30 20 CHED C=C(C)CN(C)c1ccc(C#N)cc1C(F)(F)F 302038741 MXXLCKBDXMFTFG-UHFFFAOYSA-N 254.255 3.589 30 20 CHED Cc1ccc([N+](=O)[O-])cc1N[C@H](C)c1cccc(C#N)c1 37298824 CXGSVYVMUNVRTK-GFCCVEGCSA-N 281.315 3.948 30 20 CHED C=CCC[C@H](NCC[C@](C)(O)c1ccccc1)C1CC1 187918841 UDOBWMBAFLQDHL-ROUUACIJSA-N 273.420 3.619 30 20 CHED C=CCN(CC=C)C(=O)c1scnc1C1CCCC1 183930741 IYTOQUAQBCHUMB-UHFFFAOYSA-N 276.405 3.615 30 20 CHED C[C@H](C#N)CNc1nc(-c2ccc(F)cc2)cs1 302068587 XFUDWOAJJXHMBW-SECBINFHSA-N 261.325 3.521 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCO2)cc1C(F)(F)F 42824329 FXUBTLQKIPEQBV-GFCCVEGCSA-N 284.281 3.558 30 20 CHED N#Cc1cccc(/C=C2/CCOc3cc(F)ccc3C2=O)c1 180459857 MFJFAJHGMIHHNV-ZROIWOOFSA-N 293.297 3.746 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(OC)c(COC)c1 281508990 HDELUIXWKKDTDF-CZUORRHYSA-N 277.408 3.847 30 20 CHED CC(C)c1ccc(C(=O)N(C)c2ccccc2C#N)cc1 128652948 IRRKKRPJDBJSBE-UHFFFAOYSA-N 278.355 3.958 30 20 CHED N#CCCSc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 413479461 YQGXNPXTRQNSLE-UHFFFAOYSA-N 276.239 3.619 30 20 CHED C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 317173244 FXYDNEPLHSQYJU-LLVKDONJSA-N 292.298 3.511 30 20 CHED C=C(C)CSCc1ccc(C(=O)N2CCCC2)cc1 79085827 KOFUIGNKWKLIRR-UHFFFAOYSA-N 275.417 3.732 30 20 CHED CO[C@](C)(C1CC1)[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 414224743 AZACAGSWFFWTID-PRXAMGSTSA-N 290.382 3.552 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnn(CC(C)C)c2)s1 180719165 KVUKRNPOUYYKDV-AATRIKPKSA-N 274.389 3.805 30 20 CHED C#CCCCCC(=O)NC[C@@H](c1ccccc1)C(F)(F)F 187686678 BGALIRZXGXJUFY-AWEZNQCLSA-N 297.320 3.642 30 20 CHED CCN(CC)Cc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 185762100 QSJRXHHXYAJMOK-APWZRJJASA-N 299.462 3.700 30 20 CHED C=CCC1(C(=O)NC[C@H](C)CC(F)(F)F)CCCC1 412651860 DGHLMJILIRJDPB-LLVKDONJSA-N 277.330 3.828 30 20 CHED N#CC1(COc2ccc(C(=O)c3ccccc3)cc2)CC1 500757118 HBLTWEYKLPZCSY-UHFFFAOYSA-N 277.323 3.600 30 20 CHED Cc1cc(CN[C@@H](C)Cc2cccs2)ccc1C#N 443961929 IHEYAXKHIMJOPF-ZDUSSCGKSA-N 270.401 3.649 30 20 CHED CC(C)c1ccc([C@@H]2CCCCN2C(=O)CC#N)cc1 185849961 KQZWAPMFYVWULI-INIZCTEOSA-N 270.376 3.777 30 20 CHED Cc1cccc(NC(=O)[C@H](SCCC#N)C(C)C)c1C 413016581 WISVZKWPROBZDY-OAHLLOKOSA-N 290.432 3.913 30 20 CHED Cc1cc(CSc2cccc(O)c2)ccc1C#N 447314697 VZZBDKBNFIYFBX-UHFFFAOYSA-N 255.342 3.865 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@@H]1C=CCC1 120652132 TURJMQSNLIOFIY-CYBMUJFWSA-N 261.390 3.619 30 20 CHED C=CC[C@@H](C(=O)N(C)c1ncccc1F)c1ccccc1 188727205 UOPZNDQPKNDUHC-CQSZACIVSA-N 284.334 3.543 30 20 CHED C[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@H](C)S1 70387380 CBRYIDBAMHMIEE-UWVGGRQHSA-N 266.797 3.542 30 20 CHED C=CCC1(C(=O)Nc2ccc3ncccc3c2)CCC1 188784904 UIDIVCGORGERCL-UHFFFAOYSA-N 266.344 3.920 30 20 CHED Cc1nc(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)ccc1C#N 416295457 TYIPKYNLRLGHSF-ZBFHGGJFSA-N 299.418 3.549 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(-c2ncc[nH]2)c1 130509993 KSJJWCGVEFTWSZ-UHFFFAOYSA-N 281.359 3.784 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](SCC)C(C)C 182603187 BEDFAWAYVDJIGZ-STQMWFEESA-N 257.443 3.625 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(C)c2cccc(C#N)c2)C1 131858620 HFOZWGBYTQJAIT-KGLIPLIRSA-N 270.376 3.737 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)N[C@@H](C#N)c1ccccc1Cl 410636529 AJRKXVXAJAXWJT-DIOULYMOSA-N 290.794 3.847 30 20 CHED COc1cccc([C@@H](C)CC(=O)Oc2ccc(C#N)cc2)c1 84513693 RIMGMTAFDJEOKJ-ZDUSSCGKSA-N 295.338 3.666 30 20 CHED CC(C)CCCNC(=O)Nc1ccc(C#N)c(Cl)c1 501086335 AXRPLFZOQJMLPU-UHFFFAOYSA-N 279.771 3.769 30 20 CHED CC[C@H](/N=C(/O)[C@H]1CCCOCC1)c1nc(C)cs1 329884700 STLLDSOMJFUAAH-RYUDHWBXSA-N 282.409 3.676 30 20 CHED CC[C@@H](NCc1cccc(F)c1C#N)c1cccs1 428347632 RHXPEVVZWMURAW-CQSZACIVSA-N 274.364 4.000 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CCC(C)(C)C#N 131651430 CCLYSGISJZDVAS-HIFRSBDPSA-N 274.383 3.943 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 424333519 ULIOPXYDJQDNKI-KGYLQXTDSA-N 277.437 3.918 30 20 CHED CCc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)s1 41518742 UCYFPHZELQVKDC-SNVBAGLBSA-N 276.386 3.566 30 20 CHED CCC(CC)(CC)C(=O)Nc1cc(C#N)ccc1OC 610755450 RXHHZRFZCYHMTG-UHFFFAOYSA-N 274.364 3.722 30 20 CHED CC[C@@H]1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 513135603 LXLMGFXUKJLMKW-CQSZACIVSA-N 279.428 3.538 30 20 CHED O=C(/C=C/c1cc(Cl)cs1)c1cncc(F)c1 195338475 NNZQLKOUNQZCGE-OWOJBTEDSA-N 267.712 3.832 30 20 CHED OC1=Nc2cc(N=C(O)[C@@H]3CCCSC3)ccc2CC1 329497015 GGDLMHIGAKBYPH-LLVKDONJSA-N 290.388 3.952 30 20 CHED N#Cc1ccc(NCc2cccc(F)c2C#N)c(Cl)c1 427399758 OGEDJUGAHKYHPQ-UHFFFAOYSA-N 285.709 3.835 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1F 47726117 APTIZCMFYMFQLM-UHFFFAOYSA-N 298.361 3.728 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1C 510497307 UWISULWBPNBPSV-CJNGLKHVSA-N 270.376 3.565 30 20 CHED CC(C)c1ncsc1/C(O)=N/C[C@@H]1CCO[C@H]1C(C)C 331295917 AEMWEYSRNCHGEV-AAEUAGOBSA-N 296.436 3.632 30 20 CHED CC[C@H](C)CCC(=O)Nc1cc(C#N)ccc1OC(F)F 510842610 PNFAKYCCULFIEO-JTQLQIEISA-N 296.317 3.924 30 20 CHED CCc1cccc(NC(=O)C2(C#N)CCCC2)c1CC 331128526 IKPLSJSCCTVDHZ-UHFFFAOYSA-N 270.376 3.834 30 20 CHED C=CCCCCCSCC(=O)N(C)Cc1ccco1 339090118 DJJLPIJTUDDVLV-UHFFFAOYSA-N 281.421 3.718 30 20 CHED CCCN(CC#N)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 92398259 HQTZQYMWCHDIDU-UHFFFAOYSA-N 299.330 3.590 30 20 CHED CC(C)(CCC#N)CN=c1nc(C2CCCCC2)[nH]s1 420641699 SYPQMLBIICPPIP-UHFFFAOYSA-N 292.452 3.750 30 20 CHED C[C@H](CC#N)NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 334297525 MXIAZXRTYGMZHT-SSDOTTSWSA-N 296.157 3.507 30 20 CHED CC#CCCCC(=O)Nc1ccccc1C(F)F 425085406 JGFOPMWDLAUROM-UHFFFAOYSA-N 251.276 3.756 30 20 CHED C[C@@H](CNC(=O)C(C)(C)C#N)c1c(Cl)cccc1Cl 330420881 ACFYZWJPMXXDSR-VIFPVBQESA-N 299.201 3.763 30 20 CHED CC(C)c1ccoc1/C(O)=N/[C@@H](CO)CC(C)(C)C 330478275 KJIHNWQCKMXDHQ-LLVKDONJSA-N 267.369 3.505 30 20 CHED CC(C)c1ccccc1N/C(O)=N/C[C@]1(C)CCOC1 330768499 YFIULOARCXNDQR-INIZCTEOSA-N 276.380 3.563 30 20 CHED CCO[C@@H]1C[C@H](Nc2ccc(C#N)cc2F)C12CCCC2 90801993 MQJDAMBBCUNSPC-JKSUJKDBSA-N 288.366 3.847 30 20 CHED CC(C)[C@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)C1 334731325 VVTKEWKGDWHCKE-HNNXBMFYSA-N 285.391 3.653 30 20 CHED C[C@H](Nc1nc(Cl)c(C#N)s1)c1cccs1 235554657 XSWBWBJKRABLFV-LURJTMIESA-N 269.782 3.903 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N1CC(C)(C#N)C1 435924609 WECWQJQCYYCUMN-OAHLLOKOSA-N 276.424 3.745 30 20 CHED CSc1cccc(NC(=O)c2ccc(C#N)s2)c1 334765003 HTTJOXWKZUFNPN-UHFFFAOYSA-N 274.370 3.594 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@H]1CCCC[C@H]1C 522633830 ZDCRMRQDHZYZKE-TZMCWYRMSA-N 286.375 3.722 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Oc2cccnc2)cc1 342464102 ZSWIUXMNWFVPTO-UHFFFAOYSA-N 295.342 3.752 30 20 CHED Fc1ccc(C#CCOc2cc(F)ccc2F)cc1 433378614 QGXABOJCOXVKFD-UHFFFAOYSA-N 262.230 3.534 30 20 CHED C=CCN(C(=O)c1occ2c1CCC2)c1ccccc1 340786206 PNOJUURPASDLCE-UHFFFAOYSA-N 267.328 3.601 30 20 CHED N#Cc1cnc(Oc2ccc(-n3cccn3)cc2)c(Cl)c1 348226398 NSAFSUQUNPYGHO-UHFFFAOYSA-N 296.717 3.585 30 20 CHED N#Cc1ccc(SCC(=O)c2ccncc2Cl)cc1 340674540 IXBXANGRJQUYHY-UHFFFAOYSA-N 288.759 3.582 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NCC1(C#N)CC1 343584283 UXLJFCRUNJAFGJ-INIZCTEOSA-N 256.393 3.976 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1C 343650119 AMXTWHIEQUYAGX-UHFFFAOYSA-N 280.371 3.507 30 20 CHED Cc1nsc(NCCCc2ccccc2F)c1C#N 343070687 QGHGEMKYMVOUEV-UHFFFAOYSA-N 275.352 3.507 30 20 CHED C=CCOCCCN(C)[C@H](C)c1nc2ccccc2s1 348053412 VFAPSPQAACMJCN-CYBMUJFWSA-N 290.432 3.882 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 246009551 YDBKVRWVHHRURY-CQDKDKBSSA-N 293.357 3.929 30 20 CHED C=CCNC(=O)C1(Sc2ccc(C)cc2)CCCC1 430771256 CHDIKFXRKQFXGU-UHFFFAOYSA-N 275.417 3.702 30 20 CHED CCCN(Cc1ccc(F)cc1)c1ncccc1C#N 346584161 WZEZROOTAFFTKW-UHFFFAOYSA-N 269.323 3.509 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)s1 538398279 IPXZBRSFFVIOOA-JHJVBQTASA-N 260.406 3.678 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)CCCCCC#N 600253922 XQRPSKZWBWXAQD-QGZVFWFLSA-N 286.419 3.988 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2ccccc2CC#N)C1 601541452 GQWIIOGRQTWFOF-HNNXBMFYSA-N 284.403 3.651 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccn1CCC(C)C 435744301 DXHMGWJGPHCAJW-SJLPKXTDSA-N 290.451 3.605 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2[nH]c(C)cc2c1 342030968 WPPBVRCHGPBKNS-UHFFFAOYSA-N 257.337 3.516 30 20 CHED CCC(CC)n1ccc(COc2ccc(C#N)c(OC)c2)n1 435795756 SATZHQFRJZJQBI-UHFFFAOYSA-N 299.374 3.703 30 20 CHED CCCCn1c(S[C@H](C#N)C2CC2)nc(C)c1C 601075239 MVGWBPCPGIGEBW-CYBMUJFWSA-N 263.410 3.694 30 20 CHED N#Cc1csc(CNCCc2c[nH]c3cc(F)ccc23)c1 343955644 NPMGGYDNVOZHLJ-UHFFFAOYSA-N 299.374 3.572 30 20 CHED COc1ccccc1CN(C)c1ccc(Cl)cc1C#N 52859644 BXBJFYCABNBOOA-UHFFFAOYSA-N 286.762 3.857 30 20 CHED O=C(/C=C\c1cccnc1)c1ccccc1OC(F)F 255499624 DQKAHKRAOQDUMG-FPLPWBNLSA-N 275.254 3.579 30 20 CHED C=CCCCNc1ccc(C(=O)N[C@H](C)CC)cc1C 525358497 WTGBHYQONBJYRQ-CQSZACIVSA-N 274.408 3.901 30 20 CHED CN(Cc1ccccc1)Cc1ccc(C#N)cc1Cl 162857271 QVECGJTWEADSDL-UHFFFAOYSA-N 270.763 3.844 30 20 CHED C=C1CCN(C(=O)c2ccc(C(F)(F)F)cc2C)CC1 448906409 AKDIDHXQNHIJEM-UHFFFAOYSA-N 283.293 3.806 30 20 CHED C=C1CCN(C(=O)C(CC)(CC)c2ccccc2)CC1 440635044 IPFRPBIXXGEYIX-UHFFFAOYSA-N 271.404 3.923 30 20 CHED CCCOc1cc(C)ccc1CN[C@@H]1CC[C@H](C#N)C1 442762027 DSIWIVAFEQFLBR-GOEBONIOSA-N 272.392 3.566 30 20 CHED Cc1cc(COc2ccc(-n3cccn3)cc2)ccc1C#N 447319015 NCAPNEYHGVAXHU-UHFFFAOYSA-N 289.338 3.631 30 20 CHED C[C@H](CCC#N)CNc1ccc(Cl)c(CN(C)C)c1 602649633 WXIDGOCDSYFUAB-GFCCVEGCSA-N 279.815 3.753 30 20 CHED C=C(C)CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 448550633 GHLLNFFMFJUQMS-UHFFFAOYSA-N 281.783 3.580 30 20 CHED C=CC(C)(C)CNCc1nc2ccc(OC)cc2s1 449484149 FPSIVGIHYWDOKM-UHFFFAOYSA-N 276.405 3.607 30 20 CHED Cc1ccc(Br)cc1CN[C@H]1CC[C@@H](C#N)C1 442871116 VZVKBBDYXBXCAM-RISCZKNCSA-N 293.208 3.539 30 20 CHED C=CCN(CCC#N)C(=O)CCCC1CCCCC1 359398814 ANHXYHOZNVRUKQ-UHFFFAOYSA-N 262.397 3.665 30 20 CHED CCNc1cccc(-c2cn(CCCC(C)(C)C#N)nn2)c1 603258483 BJJHNXGAARSXSZ-UHFFFAOYSA-N 297.406 3.707 30 20 CHED CC(C)(CC#N)CSCCOc1ccc([N+](=O)[O-])cc1 600571818 WGYBEDSOJZVPOU-UHFFFAOYSA-N 294.376 3.647 30 20 CHED CCOCc1ccc(NCc2ccc(C#N)cc2F)cc1 355398307 IGDDCGLRRCKCOR-UHFFFAOYSA-N 284.334 3.846 30 20 CHED C=C(CNc1ncnc2oc(C)c(C)c12)c1ccccc1 352206763 OSHLYFOGURTKMK-UHFFFAOYSA-N 279.343 3.965 30 20 CHED COc1cc(CNc2ccc3scnc3c2)ccc1C#N 440625829 DTBSOGUSNYXLGD-UHFFFAOYSA-N 295.367 3.789 30 20 CHED CC(C)COc1ccc(CCN[C@@H]2CC[C@H](C#N)C2)cc1 442774372 AHLWMNLFFWWAOJ-DLBZAZTESA-N 286.419 3.546 30 20 CHED C=CCOc1cccc(CNCCCc2cccc(C)n2)c1 352954554 UICUXBVZTWJEDM-UHFFFAOYSA-N 296.414 3.677 30 20 CHED CCc1ccc(CNCc2ccc(C#N)c(Cl)c2)o1 619748466 FYPLNPUGJXGUAR-UHFFFAOYSA-N 274.751 3.657 30 20 CHED Cc1nc(NC[C@H]2COc3ccccc32)c(Cl)cc1C#N 359953748 YMFBHGZCBIBWBP-LBPRGKRZSA-N 299.761 3.503 30 20 CHED Cc1cc(NCCCCC#N)c2cccc(F)c2n1 268857918 ZRGAMTDLIKDPGD-UHFFFAOYSA-N 257.312 3.788 30 20 CHED C=C[C@H](Cc1nc(-c2ccoc2)no1)c1ccccc1 445464487 NQDREYJHYOHUHQ-GFCCVEGCSA-N 266.300 3.842 30 20 CHED Cc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c(C)n1 611300586 QXSZBEZCHUXUKG-HIFRSBDPSA-N 279.387 3.982 30 20 CHED CCC(CC)(CC)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618843266 VOVFKQKWCRSKCO-INIZCTEOSA-N 299.418 3.814 30 20 CHED C=CCC1(C(=O)NCc2ccc(O)cc2)CCCCC1 449254488 YELRVRFSDJZNLP-UHFFFAOYSA-N 273.376 3.535 30 20 CHED C[C@@H](c1noc(CNc2ccc(C#N)cc2)n1)C(C)(C)C 356888192 VSYJLRPPUGBACC-NSHDSACASA-N 284.363 3.703 30 20 CHED C[C@H](CCC#N)N1CCC[C@@](C)(c2ccccc2)C1 351406190 DCVURIRIVJTMBU-NVXWUHKLSA-N 256.393 3.732 30 20 CHED C[C@H](NCCCC#N)c1ccc(OCc2cccnc2)cc1 537021542 BOCGBVSMCPZTQD-HNNXBMFYSA-N 295.386 3.615 30 20 CHED C[C@H](N[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(C#N)cc1 539509331 YHVXCGNFANAREL-GDIGMMSISA-N 276.383 3.840 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 455963100 BAKTZTJLLQDRFC-ZDUSSCGKSA-N 271.364 3.521 30 20 CHED C=C(CC)CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 459671287 WHZSCUQXZHIGIW-ZDUSSCGKSA-N 291.357 3.634 30 20 CHED C=C[C@H](C)NC(=O)c1cnc2ccccc2c1C(F)(F)F 362613402 KLIUTECYXFXCAR-VIFPVBQESA-N 294.276 3.558 30 20 CHED C=CCC1(C(=O)N2CCC[C@@](C)(OC)CC2)CCCC1 451363867 TWZSBUGCVYAXNJ-MRXNPFEDSA-N 279.424 3.541 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 610142501 SNABOBRGAGBKKC-DGCLKSJQSA-N 289.354 3.788 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CCSC1 360883360 NGIUAFITLCDLDC-YOEHRIQHSA-N 286.444 3.668 30 20 CHED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 457235092 LWIFGBRQFGWLNI-HOCLYGCPSA-N 290.794 3.766 30 20 CHED C=C(C)CNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 456009273 FFELJUTXMBYQSO-JTQLQIEISA-N 271.282 3.658 30 20 CHED COc1cc(C(C)=O)ccc1S[C@H]1CC[C@@H](C#N)C1 278696007 ZSXAFIHUYMIEHI-YPMHNXCESA-N 275.373 3.682 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 617789826 VEDWRXMFSHYBGS-SNVBAGLBSA-N 269.797 3.830 30 20 CHED CC(C)Oc1ccccc1CN1CCC[C@](C)(C#N)C1 612161256 QMZXRDHKGAUSFS-QGZVFWFLSA-N 272.392 3.599 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)C1CC1 613238660 BMLKTPJZOQJLFT-DLBZAZTESA-N 269.388 3.584 30 20 CHED Cc1ccnc(N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1C#N 542205979 TZAKELSBXNFOFX-OFQRWUPVSA-N 269.392 3.667 30 20 CHED CC(C)CCCSCC(=O)N(C)C1(C#N)CCCCC1 540714364 XMRBSFJSMAKRCG-UHFFFAOYSA-N 296.480 3.841 30 20 CHED C=CCSc1ccccc1C(=O)NCCC(F)(F)F 362389340 ODAZTBWZDMCGGY-UHFFFAOYSA-N 289.322 3.647 30 20 CHED Cc1ccc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)o1 452656134 MRHKTOSANWDAAN-UHFFFAOYSA-N 298.342 3.889 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 279673422 GDRJZSLGOBRAEN-CLCXKQKWSA-N 294.398 3.985 30 20 CHED C=CCN(C(=O)c1ccc(OC)c(C2CC2)c1)C(C)(C)C 622945176 WBGOMUMINHUNLX-UHFFFAOYSA-N 287.403 3.999 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(OCc2nccn2C)cc1 453373565 SVEGSWVDAFJBGH-HNNXBMFYSA-N 299.418 3.616 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)Oc2cc(F)ccc21 365704345 OQXLMZJPTZMZQU-WTKPLQERSA-N 281.695 3.552 30 20 CHED C=CCOc1cccc(CN[C@H]2CCO[C@H](C(C)C)C2)c1 271497102 JZVPBXUZGJNNIY-WMZOPIPTSA-N 289.419 3.545 30 20 CHED CCC(CC)N(Cc1ccc(CC#N)cc1)C1CC1 543208998 FCSCLNYHNSGRIO-UHFFFAOYSA-N 256.393 3.906 30 20 CHED CC(C)(C#N)CC(=O)OCc1csc2ccccc12 278880393 WDYJQSGJHLJONR-UHFFFAOYSA-N 273.357 3.884 30 20 CHED C=CCN(C(=O)CCc1cc(F)ccc1F)C(C)(C)C 622943782 QSRHRUTTWAPDOE-UHFFFAOYSA-N 281.346 3.711 30 20 CHED C=CCC[C@@H](C(=O)NC/C=C/CC)c1ccccc1 452607808 VZKMNYYPVSYVKZ-ZWIJEDICSA-N 257.377 3.819 30 20 CHED CC(C)[C@H](CO)[C@H](NCCCCC(C)(C)C#N)C(C)C 451593868 IIGFAHJVOOEJNF-JKSUJKDBSA-N 282.472 3.585 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 452721908 ITKJSXKPDRWMCZ-ZIAGYGMSSA-N 297.320 3.891 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@@H](C)c1ccccc1F)OCC 270024676 JZQMWKPOQUXZEP-BBRMVZONSA-N 293.382 3.716 30 20 CHED CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 455698777 GKWSUUZHBQZHCX-BXUZGUMPSA-N 291.782 3.716 30 20 CHED C=C(C)CCNC(=O)N1CCC2(CCCCC2)CC1 455311830 OJUGGTLSIGDPNW-UHFFFAOYSA-N 264.413 3.709 30 20 CHED C=C(CC)CNC(=O)Nc1cc(OC)ccc1OC(C)C 454730770 GSKXFMRZHRAJTC-UHFFFAOYSA-N 292.379 3.570 30 20 CHED CC[C@@]1(C)CCN(c2ncc(Cl)c(C)c2C#N)C1 541280292 FIOFFQNFOYADQC-AWEZNQCLSA-N 263.772 3.542 30 20 CHED C=CC[C@@H](C(=O)NCCCc1ccco1)c1ccccc1 620365048 SUAVUXGATFJAMI-QGZVFWFLSA-N 283.371 3.688 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cccc(F)c1F 280968847 ZWXKGOLZUPFKTG-HSMVNMDESA-N 281.346 3.597 30 20 CHED N#CC1CCN(CCc2cccc(Cl)c2Cl)CC1 280089374 RXXIQSLUCWVNHK-UHFFFAOYSA-N 283.202 3.771 30 20 CHED C=CCn1c(SCCCc2cnoc2)nc2ccccc21 629086017 CEUXQZQHRIYSBF-UHFFFAOYSA-N 299.399 3.935 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)CCCC1 628402805 SCIWJOMJLBYDTP-STQMWFEESA-N 285.378 3.873 30 20 CHED COC[C@@H](C#N)Nc1cc(-c2ccc(C)o2)ccc1C 280942768 IWXUNSKEWLTSBL-CQSZACIVSA-N 270.332 3.514 30 20 CHED C=CCCCCCNc1cc(Cl)cc(C(N)=O)c1OC 551360336 PLXBNDSXEOENGN-UHFFFAOYSA-N 296.798 3.606 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(OCCN(C)C)cc1 467405619 QRBXCERMPZTZCL-RDJZCZTQSA-N 290.451 3.632 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 466417872 RYSVNFPPEBLMST-CYBMUJFWSA-N 276.380 3.904 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 289690424 VTVURTGQGPXIDK-FHLIZLRMSA-N 296.414 3.653 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 465107773 JPWYXCINJXAERM-AQUOVQTQSA-N 284.186 3.788 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H]1c1ccccc1 467828213 JYTXDFZMWDZZMX-INIZCTEOSA-N 255.361 3.728 30 20 CHED N#C[C@H]1CC[C@@H](NCC(F)(F)c2ccc(Cl)cc2)C1 552097689 KGZCKBXWMMODTP-GXFFZTMASA-N 284.737 3.714 30 20 CHED N#CCC[C@@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 558699111 ZKTWNBGUWOZTRA-YLFCFFPRSA-N 254.377 3.810 30 20 CHED C=CCCCCCCNCc1cn(C)nc1-c1ccncc1 289953587 BYFKDVCJRMTURS-UHFFFAOYSA-N 298.434 3.708 30 20 CHED C=CCCCN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC 556880632 PDWYAWAMQICKLE-KSZLIROESA-N 273.420 3.894 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2ccc(Cl)cc21 551361710 FNRCXCDEFHLBQR-UHFFFAOYSA-N 263.768 3.831 30 20 CHED CCCC[C@@H](SCc1ccc(CC#N)cc1)C(=O)OC 475886593 ROXBJGBIMFDPHJ-OAHLLOKOSA-N 291.416 3.718 30 20 CHED C=CCCCCNC(=O)CCCOc1ccc(Cl)cc1 471674072 OHMGMDVIEPINRZ-UHFFFAOYSA-N 295.810 3.972 30 20 CHED N#CCC[C@H](C#N)CNCC1(c2ccc(F)cc2)CCCC1 554869241 OPTADTYXOSIWMT-OAHLLOKOSA-N 299.393 3.671 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(-c2ccccc2C)nn1C 294781629 AHHZBQKIUAROJO-UHFFFAOYSA-N 283.375 3.546 30 20 CHED COCC(=NNc1ccc([N+](=O)[O-])cc1C)C1CCCC1 807989347 GUHWNSVFSYYGOV-UHFFFAOYSA-N 291.351 3.508 30 20 CHED COc1ccc(CNc2cc(C#N)ccc2C)c(C)c1OC 809636096 PIOOBWFDPGHKEX-UHFFFAOYSA-N 296.370 3.804 30 20 CHED C[C@@H]1CN(C(=O)CCCCCC#N)Cc2ccccc21 805153684 RNMDCAQSWHXAAO-CQSZACIVSA-N 270.376 3.606 30 20 CHED C=CCCc1noc(C[C@@H](C)c2ccc(OC)cc2)n1 297368484 QGOZHMKRRDMDOH-GFCCVEGCSA-N 272.348 3.543 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1ccc(O)cc1 807571299 IGUIAMIXZRIQMH-UHFFFAOYSA-N 290.407 3.670 30 20 CHED CCCCCC(CCCCC)=NNc1nc[nH]n1 807997910 HTPFBAMMRPWFPF-UHFFFAOYSA-N 251.378 3.733 30 20 CHED C=C(C)COCCNC[C@H](C)c1cccc(Cl)c1 470355792 FCWOCCVZMJXBSN-ZDUSSCGKSA-N 267.800 3.626 30 20 CHED C=CCCCCCCNC(=O)c1sc(CC)nc1C 805218475 ACSCRAIMPAWINA-UHFFFAOYSA-N 280.437 3.880 30 20 CHED CCSc1cccc(-c2noc(C(C)(C)C#N)n2)c1 292905135 CIMQUGFIXKJPJW-UHFFFAOYSA-N 273.361 3.650 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)[C@@H]1c1ccncc1 293972147 QQZSYYKUQOXWQJ-OAHLLOKOSA-N 283.400 3.598 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Cc1cncc2ccccc12 561634777 JPTRTVQTNQHWES-PBHICJAKSA-N 296.414 3.884 30 20 CHED Cc1cc(C(=O)NCC#Cc2ccccc2)c(C)cc1Cl 474412651 KJLISHOFWVYMPL-UHFFFAOYSA-N 297.785 3.738 30 20 CHED C=C(C)CSCC(=O)N[C@@H](C)c1ccc(CC)cc1 477013056 VXAXDUJQBTXIDW-ZDUSSCGKSA-N 277.433 3.736 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(Cl)cc1 292190570 JTSQSLLHLIMPSE-UHFFFAOYSA-N 251.757 3.559 30 20 CHED C#C[C@@H](C)NCc1ccc(-c2cccc(F)c2)s1 809682985 KUCHSUWUDMBJMA-LLVKDONJSA-N 259.349 3.666 30 20 CHED N#Cc1cc(=N[C@@H]2CCC[C@@H](c3ccccc3)C2)cc[nH]1 561339834 DBJUNJCVIMVASA-HZPDHXFCSA-N 277.371 3.513 30 20 CHED C=CCCCCNC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 474090738 SSRXIDOTBXINPX-KGLIPLIRSA-N 266.429 3.951 30 20 CHED CC(C)Oc1cccc(CN(C)[C@H](C)CCC#N)c1 299563576 GVDFZZDTDVDRND-CQSZACIVSA-N 260.381 3.598 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OCC)cc1C 473657442 JIBSXUNCQZADNG-UHFFFAOYSA-N 276.380 3.872 30 20 CHED CCCCCCCCN[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 808782882 FLNBEJQJAMTHTI-FGTMMUONSA-N 294.483 3.584 30 20 CHED C#C[C@@H](NC(=O)N(C)C/C(C)=C/c1ccccc1)C(C)(C)C 808317119 NCMRDWNQYAWMKY-LCJXNMAOSA-N 298.430 3.779 30 20 CHED C#CCCc1noc(-c2coc3ccc(CC)cc23)n1 809397660 ZJFLJTBFZBQASH-UHFFFAOYSA-N 266.300 3.611 30 20 CHED Cc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1Cl 296609644 YJHYLQHNXQNVIG-UHFFFAOYSA-N 273.723 3.644 30 20 CHED Cc1c(C2CCCCC2)noc1NC(=O)CCCC#N 297717009 JLGKEYMCGVJAPN-UHFFFAOYSA-N 275.352 3.663 30 20 CHED C=CCSCCNC(=O)CCCc1ccccc1Cl 562091825 LJGDAGUQIXHWLE-UHFFFAOYSA-N 297.851 3.698 30 20 CHED Fc1cccc(NN=Cc2ccc3oncc3c2)c1F 814859718 WZIPTSOGSQOULG-UHFFFAOYSA-N 273.242 3.552 30 20 CHED C[C@H]1CCC[C@H](C)C1NCc1cc(C#N)ccc1F 560906798 HQVLTUVFYFPOIV-RYUDHWBXSA-N 260.356 3.612 30 20 CHED CC(=NOCCC1CC1)c1csc(C(C)C)n1 814246076 SEVYUDMAGPIGOT-UHFFFAOYSA-N 252.383 3.807 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCCC[C@H]1C)c1ccncc1 819291649 WWAAHFPROSQJPB-KBMXLJTQSA-N 272.392 3.641 30 20 CHED COc1ccc(CNN=C2CC(c3ccccc3)C2)cc1 814810481 ABOIMFCLUDWFMZ-UHFFFAOYSA-N 280.371 3.718 30 20 CHED Oc1ccccc1/C=N/Cc1ccc(OC(F)(F)F)cc1 812415739 MHAIPADFCGGFHO-VXLYETTFSA-N 295.260 3.910 30 20 CHED C=CCC[C@H](CC)NCC(F)(F)c1cccc(OC)n1 560581947 NHBOHJXEKLHKTC-LBPRGKRZSA-N 284.350 3.516 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 487861023 WGDVXLNJYWDGFW-KBPBESRZSA-N 290.382 3.679 30 20 CHED C[C@@H]1CCC(=NNc2nc(C(F)(F)F)cs2)C1 814868042 UQIQFQPJDHCUQI-ZCFIWIBFSA-N 263.288 3.750 30 20 CHED C=CCCC(=O)Nc1ncc(-c2ccccc2F)s1 570934672 NOOJXAARVXPREP-UHFFFAOYSA-N 276.336 3.854 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccc2)cc1F 483536450 CGKXIJXGVASABL-GOSISDBHSA-N 294.373 3.904 30 20 CHED Cc1cc(C=NOC/C=C/Cl)c(C)n1C1CC1 811668288 DHSTZNASISSXJM-LPTQTZJXSA-N 252.745 3.543 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)NC1(C)CC=CC1 654593682 FAJULLMKFFCZBX-INIZCTEOSA-N 284.403 3.582 30 20 CHED C=CCCCCCCCNC(=O)NCc1cccc(C#N)c1 811863263 ROZYHGOJNHHJKV-UHFFFAOYSA-N 299.418 3.884 30 20 CHED C#CC[C@@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccccc1 816558819 MCTFPYYFPWZXTQ-HNAYVOBHSA-N 279.383 3.677 30 20 CHED C=C(CC)CN[C@@H](C)[C@@H](OC)c1ccccc1Cl 481477676 AYESOOOJJQFLIH-SWLSCSKDSA-N 267.800 3.972 30 20 CHED Cc1ccc(C2=CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 815009692 AXBFUEFKDAXSOR-CRAIPNDOSA-N 266.388 3.776 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(N3CCCC3)cn2)no1 572443063 SXKAMKJZJUNVCZ-QGZVFWFLSA-N 298.390 3.586 30 20 CHED CCCOc1cc(C=NOC/C=C\Cl)ccc1OC 811671847 LBMBKXQRNSWLKL-VNJYQNSASA-N 283.755 3.587 30 20 CHED C=C(C)CN1CCC(c2cccc(F)c2F)CC1 573177992 NAVOHZPUTJKNHW-UHFFFAOYSA-N 251.320 3.720 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(F)c(C)c1 729143652 PZJOTPPBFSVQOP-UHFFFAOYSA-N 281.334 3.928 30 20 CHED C=CCSc1ccccc1C(=O)Nc1ncc(C2CC2)[nH]1 574358237 OCFHDPMLKWPSKR-UHFFFAOYSA-N 299.399 3.818 30 20 CHED C=CCOCCN1C[C@H](C)CC[C@H]1c1ccccc1OC 573985244 OMSFOPXDRGMWBE-WBVHZDCISA-N 289.419 3.671 30 20 CHED C=CCC1(C(=O)Nc2cnn(C(C)C)c2)CCCC1 574877250 MBNGUZBLUIIAME-UHFFFAOYSA-N 261.369 3.539 30 20 CHED CC#CCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 498572332 AETWDLJTUFJWNE-UHFFFAOYSA-N 289.806 3.681 30 20 CHED N#CCC[C@H](C#N)CN[C@H](c1ccccc1)C1CCCC1 574475539 UGGVIWTVYPBSDH-CRAIPNDOSA-N 281.403 3.951 30 20 CHED C=CCCNC(=O)N1CCc2ccccc2[C@H]1C(C)C 665946591 QGSCRVUMDFYGDK-MRXNPFEDSA-N 272.392 3.528 30 20 CHED CC(C(=O)Nc1cc(C#N)ccc1OC(F)F)=C1CCC1 825678631 HEEZVRWRKPFHRZ-UHFFFAOYSA-N 292.285 3.599 30 20 CHED N#CCCCOC(=O)[C@@H](OC1CCCC1)c1ccccc1 727017001 MMSCIPONXPUFKY-INIZCTEOSA-N 287.359 3.534 30 20 CHED CCN(CC#N)Cc1ccc(N(C)Cc2cccs2)cc1 823419272 WWZGPWNEXFFWSQ-UHFFFAOYSA-N 299.443 3.730 30 20 CHED C=CCN(C(=O)NCCCCC(C)(C)C)C(C)C 729614212 ZOTUPUNDIMUYOE-UHFFFAOYSA-N 254.418 3.809 30 20 CHED CCCCc1ccc(CC(=O)NC2(C#N)CCCCC2)cc1 585717416 DWGVGJUXGSLGGA-UHFFFAOYSA-N 298.430 3.914 30 20 CHED C=C(C)C[C@H](NC(C)=O)c1nc([C@H]2CCCC[C@@H]2C)no1 664782344 LFAGQTYLXMZOLZ-UBHSHLNASA-N 291.395 3.507 30 20 CHED C=CCCC(C)(C)NC(=O)NC1CCC(F)(F)CC1 664546677 PPXQTLXWUATFKX-UHFFFAOYSA-N 274.355 3.608 30 20 CHED N#Cc1cnccc1/C=C\c1nccc2ccccc12 585818734 PXRUYPBXWOUQPL-WAYWQWQTSA-N 257.296 3.672 30 20 CHED C=CCC1(NC(=O)NC2CC(C(F)(F)F)C2)CCCC1 664905066 BHUVJAWXZMFYAD-UHFFFAOYSA-N 290.329 3.515 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(Cl)cc2)c1 588476485 PHWXFHQNQUUNBO-DAXSKMNVSA-N 257.720 3.940 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc(C(F)F)cc2)nn1 901527025 OOZRGCPGAYNTCY-VMPITWQZSA-N 291.301 3.693 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCc1ccc(C#N)cc1 835145231 NDLQUMKTFDAATB-GFCCVEGCSA-N 285.265 3.580 30 20 CHED C[C@H]1CC(=NNc2ccccc2)c2c(O)ccc(F)c21 730542126 TYKSMXUEZCVMMH-JTQLQIEISA-N 270.307 3.855 30 20 CHED C[C@H](C(=O)OCCCCC1(C#N)CCC1)c1ccco1 909029186 TUTGHGDEZYXVIL-ZDUSSCGKSA-N 275.348 3.790 30 20 CHED C[C@H]1CN(C(=O)CCCCCC#N)[C@H]1c1ccccc1 588623940 CRCXHPNJXKAEEV-WMLDXEAASA-N 270.376 3.680 30 20 CHED CCCCCCCC[C@H](N)c1nc(C2(N)CCCC2)no1 900005822 MFPYAMCBSLCKQA-ZDUSSCGKSA-N 294.443 3.548 30 20 CHED Cn1ncc(N[C@@H]2CCC[C@@H](C#N)C2)c1-c1ccccc1 589190204 FPKQLLJXKPLSKX-UKRRQHHQSA-N 280.375 3.581 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C(=O)O)c1ccc(C)c(C)c1 901846704 WVVVARSBHVBJMM-NOLJZWGESA-N 275.392 3.619 30 20 CHED C=C(CC)CN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 678624670 JYKNKLOPTPZKHL-IUCAKERBSA-N 275.236 3.625 30 20 CHED C#CC[C@@H](NCCOCC1CCCC1)c1ccccc1 838913324 PVCQWTNJZJFJSK-GOSISDBHSA-N 271.404 3.547 30 20 CHED CC[C@H](CC#N)NCc1cc(F)c(C(F)(F)F)cc1F 583271297 AHARBCUWZAYWLI-SECBINFHSA-N 292.251 3.765 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 585817377 FEPASEWJMYSBAB-AWEZNQCLSA-N 298.308 3.604 30 20 CHED CCCCNN=Cc1ccc(OC(F)F)c(Cl)c1 731486474 MBHMVUFHTFGKOZ-UHFFFAOYSA-N 276.714 3.665 30 20 CHED C=CC[C@H](C(=O)OCCCCC(C)(C)O)c1ccccc1 835432807 WJASJETUBCWPML-INIZCTEOSA-N 290.403 3.831 30 20 CHED Cc1cc(C)c(C#N)c(SC[C@@H]2CC2(Cl)Cl)n1 916434467 FODHVFMCXWGGAW-VIFPVBQESA-N 287.215 3.856 30 20 CHED CCN(C[C@H](C)C#N)C(=O)/C=C\c1cc(C)c(C)cc1C 918599179 MZAOGNCQPLOSIA-MEJMFZKBSA-N 284.403 3.633 30 20 CHED CC#CCOC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 745487046 MQOMIXSYHFPXSA-PKNBQFBNSA-N 282.261 3.675 30 20 CHED Cc1sc(NC(=O)CCCc2cccnc2)c(C#N)c1C 598802037 RJKUEZHKLLLEMW-UHFFFAOYSA-N 299.399 3.593 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(Cl)s1 915653716 JCEYNPZYBKWMGR-ARJAWSKDSA-N 266.753 3.638 30 20 CHED C[C@@H](OC(=O)[C@@H]1Cc2ccccc21)c1cccc(C#N)c1 744102135 NNONJLNBSFSDOD-SJKOYZFVSA-N 277.323 3.502 30 20 CHED CCc1c(C(=O)N2CCC[C@H](CC#N)C2)oc2ccccc12 597900059 HZDUKYBKTGGYKJ-CYBMUJFWSA-N 296.370 3.761 30 20 CHED C=C[C@H](C)ONC(=O)c1ccc(SC(F)(F)F)cc1 846543238 MTSGQSNLNLDFSC-QMMMGPOBSA-N 291.294 3.534 30 20 CHED Oc1ccc2ccccc2c1/C=N/[C@@H]1CC12CCOCC2 840709472 MXIOIEPTQCSHAT-MIQLPHMESA-N 281.355 3.533 30 20 CHED N#CC1(c2ccccn2)CCN(CCCC2CCC2)CC1 595473033 SQNMMJFPWFLFOV-UHFFFAOYSA-N 283.419 3.519 30 20 CHED CC(=NNc1ccccc1F)c1ccc2c(c1)CCC(=O)N2 915957936 CRCUPNGJXNJMMA-UHFFFAOYSA-N 297.333 3.547 30 20 CHED CC(C)(C#N)CC(=O)N1CCC(C)(C)CC(C)(C)C1 598188084 UVOKREADCPJPPJ-UHFFFAOYSA-N 264.413 3.601 30 20 CHED C=CCCCC(=O)NCCc1c[nH]c2cc(Cl)ccc12 748296554 KDZIRAAOCWZNDN-UHFFFAOYSA-N 290.794 3.836 30 20 CHED C=CCCCOc1cccc(-c2cc(CO)ccn2)c1 911580255 RYATZTQOBPSWAU-UHFFFAOYSA-N 269.344 3.586 30 20 CHED C=C(C)CONC(=O)CCC[C@@H](C)c1cccc(OC)c1 846534829 CYTXHCRMKMNZNY-CQSZACIVSA-N 291.391 3.593 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1nc(C)cc(C)c1C#N 598858769 PHRODXJJFQNDLC-KBPBESRZSA-N 285.391 3.725 30 20 CHED CC(C)(C#N)CCn1cc(Br)c(C(C)(C)C)n1 596284510 ATOLGFVPLMBVHJ-UHFFFAOYSA-N 298.228 3.883 30 20 CHED C[C@@H](NCc1cccc2c1CCC2)c1cccc(C#N)c1 593601996 NFMWPVAJCIELGS-CQSZACIVSA-N 276.383 3.898 30 20 CHED CCCCCCCCSc1nnc(-c2ccco2)n1N 915791400 DXDSVEBLORKOMN-UHFFFAOYSA-N 294.424 3.705 30 20 CHED C=CCCC[C@H](C)OC(=O)CCc1scnc1C 840605282 NTXKPVIEVIMQMX-NSHDSACASA-N 267.394 3.672 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc2c(c1)-c1ccccc1C2 847166946 HDSDPSGPXMZGSF-MRXNPFEDSA-N 290.366 3.632 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H](C)n1cccn1 917872126 GEZDZNKZCKBFDD-LSDHHAIUSA-N 279.428 3.557 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2nccnc2C#N)c2ccccc21 599157357 UFRBGBZNQCNLBO-GJZGRUSLSA-N 278.359 3.645 30 20 CHED CCC[C@@H](C(=O)N(C)[C@H](C)CC#N)c1cccc(Cl)c1 599329792 RKHRLCWOOMHPIZ-IUODEOHRSA-N 292.810 3.984 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2ncc(C#N)cc2C)n1 590285322 LDSWWAJMTDDAMM-UONOGXRCSA-N 296.374 3.996 30 20 CHED C#CCCCC(=O)O[C@H](C#C)c1cccc(C(F)(F)F)c1 842410494 XXHKNVWKFZDSGP-CQSZACIVSA-N 294.272 3.726 30 20 CHED C#CC1CCN(C(=O)/C(C)=C/c2ccc(Cl)cc2)CC1 843705142 SSHKTXGLZMURBG-OUKQBFOZSA-N 287.790 3.615 30 20 CHED Cc1sc2ncnc(NN=CC3CCCC3)c2c1C 741838533 VNRJBCFBIKDSKV-UHFFFAOYSA-N 274.393 3.896 30 20 CHED COc1ccccc1[C@@H]1CCN(c2ccc(C#N)cc2C)C1 846749535 FGNYLLXCXKXVLV-MRXNPFEDSA-N 292.382 3.869 30 20 CHED CCC1CCC(CNC(=O)/C=C\c2ccccc2C#N)CC1 921006536 CREOSSJBVUZOFT-QXMHVHEDSA-N 296.414 3.904 30 20 CHED O=C1/C(=C/c2cccc(F)c2)Cc2c(F)cccc21 921263448 DLKDIXBLOIXWEP-YRNVUSSQSA-N 256.251 3.787 30 20 CHED C#CCCOc1ccc(C(=O)NC(C)(C)CCC=C)cc1 856371939 CBIMPSNWNFXKFA-UHFFFAOYSA-N 285.387 3.563 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccc(F)cc1Br 758374888 YQJMECHVNNLJAM-HTQZYQBOSA-N 271.133 3.642 30 20 CHED CCCC(CC)=NNc1ccc([N+](=O)[O-])cc1F 853396333 FYMZOOQYWYWMIL-UHFFFAOYSA-N 253.277 3.712 30 20 CHED CCCC(C)(C)NCc1cc(C#N)ccc1Br 755005789 RILBAJRTMVABCM-UHFFFAOYSA-N 295.224 3.989 30 20 CHED CCCCCCCCC(=O)O[C@H](C)c1nccn1C 851580940 MUBSGLFOLCOEIU-CYBMUJFWSA-N 266.385 3.775 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@@H](C)c1c(C)noc1C 851299399 KEEMJXFBFLLAQP-LLVKDONJSA-N 279.380 3.931 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1ccco1 754863375 DEXHXQRNNKWXBR-UHFFFAOYSA-N 266.385 3.782 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(F)n1 851738415 GFRMJRLIRLDMKR-UHFFFAOYSA-N 283.350 3.503 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)COc2ccc(F)cc21 759082004 BAVBACPQASUORF-CLTKARDFSA-N 295.722 3.594 30 20 CHED C[C@@H]1CCC[C@H](C(=O)OCc2ccc(F)c(C#N)c2)C1 758951479 POQVVHNBINKFSQ-YPMHNXCESA-N 275.323 3.567 30 20 CHED C[C@H]1Cc2cc(COC(=O)CCCCCC#N)ccc2O1 851370279 YXCXCQAMFGCBJJ-ZDUSSCGKSA-N 287.359 3.527 30 20 CHED Cc1ccc(CC(=NO[C@@H]2CCCCO2)C2CC2)cc1 755816795 WGPKDGUYXVWVRG-QGZVFWFLSA-N 273.376 3.847 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](F)c2ccccc2)C1 855438583 KUZDZXQTAXIPLH-HIFRSBDPSA-N 261.340 3.512 30 20 CHED C(=NNc1ncnc2ccsc12)[C@H]1CCc2ccccc21 755798309 SLYAMZRRPUFLFG-GFCCVEGCSA-N 294.383 3.819 30 20 CHED Cc1ccc2c(CCN[C@@H](C)CC(C)(C)C#N)c[nH]c2c1 924886037 RDDXXAGEZIKJLV-AWEZNQCLSA-N 283.419 3.937 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cn(C)nc1-c1ccccc1 926128822 DRRGMNHPCHRPPA-CQSZACIVSA-N 296.418 3.505 30 20 CHED C#CCOc1cccc(OCc2oc(CCC)nc2C)c1 853665809 DAXFZTXEHMBVAO-UHFFFAOYSA-N 285.343 3.527 30 20 CHED Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)c(C(C)C)n1 851205866 MRUTWNFTOPQTER-CYBMUJFWSA-N 288.391 3.999 30 20 CHED C=CCC1(NC[C@@H](O)c2ccccc2)CCCCC1 859745751 WQNKTCYAGJIPDS-MRXNPFEDSA-N 259.393 3.589 30 20 CHED COCCC1(CN[C@H](C)CC(C)(C)C#N)CCCC1 925271405 HACHXPSAJJVBAS-CQSZACIVSA-N 266.429 3.501 30 20 CHED C=CCN(C(=O)c1ccc2ccc(Cl)cc2n1)C(C)C 752290376 JFEJNVRFUCFWJQ-UHFFFAOYSA-N 288.778 3.925 30 20 CHED C[C@H](NN=C1CCC(=C2CCC2)CC1)C(F)(F)F 853354160 XXWCWWBJYKLJHT-VIFPVBQESA-N 260.303 3.937 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1cc(F)cc(F)c1 755889965 MXBGTSZNDSFJCT-UHFFFAOYSA-N 298.296 3.744 30 20 CHED CCCN(Cc1ccccc1O)Cc1ccccc1C#N 750875172 OHTOETUIZUABMD-UHFFFAOYSA-N 280.371 3.676 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C1CC(F)(F)C1 851141576 BGMSJKUCYJUDSQ-PWSUYJOCSA-N 258.308 3.710 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1coc2cc(F)ccc12 856373931 FPWKNCFRDCOKOH-UHFFFAOYSA-N 289.350 3.975 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H](O)c1ccc2ccccc2c1 934750361 OWEDKIWBPAUVFF-KDOFPFPSSA-N 297.398 3.592 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccc(OCC(F)(F)F)cc1 758375329 QTXRHOUHSMPTPS-UWVGGRQHSA-N 272.270 3.681 30 20 CHED C=CCN(C(=O)Nc1cccc(-c2ncco2)c1)C(C)C 754468752 QHIZXRCGJKWZQT-UHFFFAOYSA-N 285.347 3.770 30 20 CHED Cc1nnc(SCCCSC(C)(C)C)c(C#N)c1C 865351894 OVZUHXAGVKYBFW-UHFFFAOYSA-N 295.477 3.979 30 20 CHED FC(F)(F)CON=C1CCCC[C@H]1N1CCCCCC1 764834449 CJMVNEXJQKELFG-CYBMUJFWSA-N 292.345 3.740 30 20 CHED C=C(Cl)CNC(=O)c1cncc(-c2cccc(C)c2)c1 768568285 CQLYJKYIBHPCID-UHFFFAOYSA-N 286.762 3.539 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCc1ccc(C#N)cc1 768537642 SNLPRYXKYIWVGA-UHFFFAOYSA-N 298.386 3.754 30 20 CHED C#C[C@H](OC(=O)CC1(CSC)CC1)c1ccc(C)cc1 860961335 HULKZHHYYZIQBB-HNNXBMFYSA-N 288.412 3.746 30 20 CHED C1=CC[C@@H](C=NNCc2cnc3ccccc3c2)CC1 764775439 LXVNRXFUADNVQV-CQSZACIVSA-N 265.360 3.667 30 20 CHED CC[C@H]1CCCC1=NNc1ccnc(Br)c1 769811052 WAOXTKMOFMUQBX-VIFPVBQESA-N 282.185 3.822 30 20 CHED CC(=NNCc1cnc2ccccc2c1)C1CCCC1 764778716 LIGBSKUAVOKADH-UHFFFAOYSA-N 267.376 3.891 30 20 CHED FC(F)Oc1ccccc1C=NOC/C(Cl)=C\Cl 763167438 CKZNRICEJPICFX-MMALZZSJSA-N 296.100 3.958 30 20 CHED Cc1cc(OC(=O)[C@@H](C)c2ccccc2)ccc1C#N 765118692 VSBCECIXLUQLOG-ZDUSSCGKSA-N 265.312 3.576 30 20 CHED Oc1ccc(Cl)cc1/C=N/Cc1ccc2c(c1)COC2 769774228 OZDSJPBVZOOPBN-QGMBQPNBSA-N 287.746 3.695 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2OC(C)C)CC1 864253330 RXTSHVQEMBXMOM-UHFFFAOYSA-N 274.364 3.658 30 20 CHED C=CCOCCSCc1cccnc1C(F)(F)F 863397980 ZQYXLRWGVMNEDT-UHFFFAOYSA-N 277.311 3.536 30 20 CHED Fc1cc(F)c(C=NNc2ccc(Cl)nc2)cc1F 767789534 YJQSUBLWZFINPT-UHFFFAOYSA-N 285.656 3.598 30 20 CHED CCON=Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl 767461487 BJPLSXPELANBEQ-UHFFFAOYSA-N 298.173 3.858 30 20 CHED Fc1cc2c(cc1Cl)C(=NOCC(F)(F)F)CC2 863103172 NJEWQBIPZGAKSV-UHFFFAOYSA-N 281.636 3.708 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cccnc1 769827381 VQNKUTIDKQKPMB-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CCc1cnccc1C(C)=NNc1ccc(F)cc1OC 761891211 XAZDEPSCXJPYTI-UHFFFAOYSA-N 287.338 3.628 30 20 CHED Cn1cc(NN=C2CCC3(CCCCC3)CC2)cn1 761865495 ACHDSPJZSFYKLO-UHFFFAOYSA-N 260.385 3.713 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cccc3nccn23)c1 769609450 JOEXHTXAJJCILS-KTKRTIGZSA-N 292.338 3.629 30 20 CHED N#CCCCn1cc(C(=O)OCC2CC2)c2ccccc21 769543026 OPTRTRRAECLLEU-UHFFFAOYSA-N 282.343 3.512 30 20 CHED N#Cc1ccccc1NC(=O)c1ccsc1Cl 1354216786 HGNASOWSMJCZSX-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=C1CCC(C(=O)Nc2scnc2C(C)C)CC1 1119639172 ZAMMHPDYSVBLQT-UHFFFAOYSA-N 264.394 3.951 30 20 CHED CN(Cc1ccccc1O)c1nc(C(C)(C)C)ccc1C#N 767202837 SGLYVUMLWCJLII-UHFFFAOYSA-N 295.386 3.593 30 20 CHED CC(C)n1cccc1C(=O)OCCCCC(C)(C)C#N 768817375 RCYXHJXQWNAYQF-UHFFFAOYSA-N 276.380 3.946 30 20 CHED CCN(CC)c1ccc(/C=N\[C@@H](C)c2ccc[nH]2)c(O)c1 760227957 CFXBENNFIKJEOO-QXGSTRBFSA-N 285.391 3.747 30 20 CHED C=CCCCC(=O)OCc1ccc([N+](=O)[O-])cc1Cl 778089142 ZIWKZXZQFZGCJV-UHFFFAOYSA-N 283.711 3.648 30 20 CHED Oc1nc2ccccc2cc1C=NOC1CCCCC1 777457281 PWIVSZWQEHLHBT-UHFFFAOYSA-N 270.332 3.624 30 20 CHED C=C(C)CNC(=O)/C=C/c1cccc(OC2CCCC2)c1 777835309 VPTWNZCPPDWFBA-ZHACJKMWSA-N 285.387 3.714 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1sccc1O 773150579 REYGFIJSXQEQQA-HYXAFXHYSA-N 262.305 3.797 30 20 CHED C/C=C(/C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 776816793 GYNYRQCYXKHNHP-XGICHPGQSA-N 293.370 3.871 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)OCCC(C)(C)C#N 776386192 OPXHRVQNGPTVIH-AWEZNQCLSA-N 273.376 3.972 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(C)c(F)c1 776190446 WCUDVRIYDKCORF-SREVYHEPSA-N 269.319 3.988 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C(F)=C1CCCC1 777061824 AKSMZRLMSFZAIN-UHFFFAOYSA-N 273.307 3.708 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCc2ccc(C)cc21 779905841 QBBHUCVUBOVRSE-QGZVFWFLSA-N 269.388 3.682 30 20 CHED Cc1ccc(C)c(COC(=O)/C=C\c2ccccc2C#N)c1 775075871 SRLRBSKRYFZOLB-KTKRTIGZSA-N 291.350 3.932 30 20 CHED C[C@H]1CCC[C@@H](C(=O)OCc2cccc(C#N)c2F)C1 774963428 RQPSQCOJMXGYFI-NWDGAFQWSA-N 275.323 3.567 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1ccccc1F 779820092 FEZBTBWOPANABF-UHFFFAOYSA-N 268.295 3.538 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)ccc1C 773139612 LUYRDNUOSRAVOX-SOFGYWHQSA-N 282.339 3.914 30 20 CHED Cc1nc(C(=O)OCC2(C#N)CC2)c(-c2ccccc2)s1 778855587 NGMLBDQZTZFXPF-UHFFFAOYSA-N 298.367 3.579 30 20 CHED CCCCCCCCNC(=O)c1cccc([S@](C)=O)c1 770248200 JKQBXCJKYSTWAE-FQEVSTJZSA-N 295.448 3.514 30 20 CHED CC(C)C(C=NNc1nc2ccccc2[nH]1)C(C)C 788955468 SBNCWJXSQCFRME-UHFFFAOYSA-N 258.369 3.889 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1c[nH]c2cccc(F)c12 1120733460 OJKBNAJELIXHDU-GFCCVEGCSA-N 286.350 3.878 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc(OC(C)(C)C)cc1 788031631 WTADSLJHGZPPBH-CQSZACIVSA-N 291.391 3.641 30 20 CHED Cc1cc(C=NNc2ccnc(F)c2)cc2cccnc12 783866872 LMJQHGWQNORDIJ-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C=C1CCC(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)CC1 889880243 VDXQMNOQQVVDTK-UHFFFAOYSA-N 297.320 3.809 30 20 CHED CC(C)C[C@H](C)CC(=O)OCCCC(C)(C)C#N 783423761 RYCGQYSNNYOSTM-ZDUSSCGKSA-N 253.386 3.932 30 20 CHED C#Cc1ccc(CN2CCC[C@H]2c2cccc(C)n2)cc1 787770229 DCVLHYPBDSNZFX-IBGZPJMESA-N 276.383 3.708 30 20 CHED CC(C)(C)Oc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 897755292 YKZAZOIDHXQRGM-TZMCWYRMSA-N 258.365 3.968 30 20 CHED COc1ccsc1C(=O)/C=C\c1cn2cc(C)ccc2n1 789147621 KEILSVYWMRWYAZ-PLNGDYQASA-N 298.367 3.609 30 20 CHED CC(=NNc1ncccc1C)c1ccc(OC(F)F)cc1 790186548 MRHGWYNNYDEYDM-UHFFFAOYSA-N 291.301 3.828 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 796463534 VFWNCENEDQSDMC-UHFFFAOYSA-N 297.738 3.894 30 20 CHED Cc1csc(NC(=O)NC[C@H]2CCC[C@H](C)C2)c1C#N 1204889149 OGVFNIVFYXQUQY-JQWIXIFHSA-N 291.420 3.876 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C#N)C1 702313863 QQTHLHYECMNDSS-GHMZBOCLSA-N 276.767 3.976 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C/c1ccc(Cl)s1 798552061 XERJQFRMFLUHTQ-PCYYEKQGSA-N 269.797 3.886 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@@H]2CCC(F)(F)C2)c1 797397589 FLLMRANNRHQFPX-VDCVXVNISA-N 283.318 3.645 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cccc3nccn23)c(O)c1 799896535 WEYVTCLOOIFNOO-SREVYHEPSA-N 292.338 3.553 30 20 CHED Cc1ccc(NN=C2CCC[C@H](CC(C)C)C2)nn1 794506869 AGXAJPPKLYLNMD-CYBMUJFWSA-N 260.385 3.789 30 20 CHED N#CC1(CNc2cc3ccccc3c(Cl)n2)CC1 797439332 GAPFUQBKHOMEQE-UHFFFAOYSA-N 257.724 3.604 30 20 CHED Clc1cccc(C#CCN2CC[C@H](c3ccccn3)C2)c1 799194001 CGHYNDBZBKVPJZ-INIZCTEOSA-N 296.801 3.576 30 20 CHED CC(C)Oc1c(F)cc(N[C@@H]2CC[C@@H](C#N)C2)cc1F 799723238 BAXWFKFXEQTWAO-GHMZBOCLSA-N 280.318 3.856 30 20 CHED CC(C)C[C@@H](C)C=NNc1nc2ccccc2n1C 799108473 CANZIVZEIDQIPY-GFCCVEGCSA-N 258.369 3.653 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(OC)c(F)c1 595057201 BPARFFOJGMKTHK-GFCCVEGCSA-N 283.412 3.794 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1cc(C#N)c(F)cc1F 1219883366 FURHYHZSWWIFEB-SNVBAGLBSA-N 295.333 3.783 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)C12CCC2 87709573 UOCRPGDLDJQLBV-HUUCEWRRSA-N 290.794 3.971 30 20 CHED CCc1cc(N(CCC#N)CC(CC)CC)nc(CC)n1 1162972064 DERBJVMRRNKQNK-UHFFFAOYSA-N 288.439 3.758 30 20 CHED C[C@H](NCc1cc(C#N)ccn1)c1cc2ccccc2o1 1169306969 LCKHWJGWNGVSIQ-LBPRGKRZSA-N 277.327 3.550 30 20 CHED C=C(C)CCOC(=O)[C@H](C)c1ccc(F)c(F)c1 1328699554 FHYWSQAAAKYNRD-SNVBAGLBSA-N 254.276 3.578 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc2cc[nH]c12 1325216897 LJVDMXWCSQNGID-UHFFFAOYSA-N 275.311 3.600 30 20 CHED C[C@H](NC(=O)CC#Cc1ccccc1)[C@@H](C)c1ccccc1 1323877410 ZNVITDKOEOAMGC-SJORKVTESA-N 291.394 3.737 30 20 CHED C[C@H](c1nnc(COc2ccc(C#N)cc2)o1)C(C)(C)C 1323874857 ZEYCGAIYVFHNAI-LLVKDONJSA-N 285.347 3.670 30 20 CHED Fc1ccc(CNN=Cc2ccccc2Cl)cc1 1253080657 XIRWNQYYYCAACZ-UHFFFAOYSA-N 262.715 3.603 30 20 CHED Cc1ccnc(CSCc2cccc(C#N)c2F)c1 1255683189 YMVZGZXSKZFGTM-UHFFFAOYSA-N 272.348 3.834 30 20 CHED CCC1CCC(NCCc2ccc(C#N)cc2)CC1 1256866171 CKANUIFWOWADKD-UHFFFAOYSA-N 256.393 3.659 30 20 CHED C=C[C@H](CC(=O)NCCCC(F)F)c1ccccc1 1332904734 BTGZHBPSTZIIJM-GFCCVEGCSA-N 267.319 3.508 30 20 CHED Cc1cc(C)cc(NN=Cc2cccc3cn[nH]c23)c1 1339432424 CTTIZJHEIYWKJW-UHFFFAOYSA-N 264.332 3.626 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCCC(=O)c2ccccc2)C1 1263481310 ATVGIXBSIFOFBW-HOCLYGCPSA-N 299.370 3.665 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@H](C)C1CC1)c1cccs1 1343904605 FOZVIOCCXNPVOG-JTNHKYCSSA-N 277.389 3.928 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@@H](C)c1sc(C)nc1C 1263728202 KFMSSBXIDYOTHA-LBPRGKRZSA-N 280.437 3.882 30 20 CHED CCc1ccc(NCc2cccc(O[C@H](C#N)CC)c2)nc1 1347990445 OCZPKTPMXQAOIM-INIZCTEOSA-N 295.386 3.937 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@H]1C(C)(C)C)c1ccccc1 1345780145 TYAWEZFNOGJBPZ-CVEARBPZSA-N 284.403 3.581 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@H]2CSc3ccccc32)c1 1275425027 DHAKXIYFFBKSMS-LBPRGKRZSA-N 298.342 3.525 30 20 CHED CC[C@H](CNC(=O)c1cc(C#N)ccc1C)c1ccccc1 1519854520 RQEKMVWHDNVQLP-MRXNPFEDSA-N 292.382 3.790 30 20 CHED Cc1cccnc1[C@@H](C)Nc1nc(C#N)c(Cl)s1 1516144693 VVGMKCJNRIKNEU-MRVPVSSYSA-N 278.768 3.545 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C(C)(C)Oc1ccccc1 1525936797 NPZQRTDWNACLKD-CYBMUJFWSA-N 289.375 3.716 30 20 CHED N#Cc1ccc(NC[C@H]2CCSC2)c(C(F)(F)F)c1 224334579 MKYOTSLAQYXLQT-SNVBAGLBSA-N 286.322 3.742 30 20 CHED C=C(C)CSc1ccc(Br)cc1C(=O)O 1602764684 LBQLMKJTUTXUKZ-UHFFFAOYSA-N 287.178 3.816 30 20 CHED C=C[C@H](Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)O 1609272685 WRIWTBYCMRMZGV-HNNXBMFYSA-N 287.290 3.669 30 20 CHED N#Cc1ccc(NC(=O)C2(C#N)CCCCC2)c(Cl)c1 226346692 OFSWIHOCFAYNBX-UHFFFAOYSA-N 287.750 3.624 30 20 CHED CCc1csc(Sc2snc(Cl)c2C#N)n1 1472843929 WZSRHZDXHXEKKJ-UHFFFAOYSA-N 287.822 3.838 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1sccc1C#N 1629579412 KJUAZHIRFNXWTA-UHFFFAOYSA-N 285.372 3.692 30 20 CHED Cc1ccc(NCc2cc(C#N)ccc2F)c(C)c1 20034901 BRFVHVDOALKGHF-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(CC3(CC#N)CC3)C2)cc1 1645456950 RXUQJAJEHZJFMA-DOTOQJQBSA-N 268.404 3.867 30 20 CHED COc1ccc2ncc(C#N)c(OCCC(C)C)c2c1 1641247574 RNILHYPIOWANLG-UHFFFAOYSA-N 270.332 3.540 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(C(F)(F)F)c1 229955668 AFBFAQQGKXPJER-NSHDSACASA-N 284.281 3.629 30 20 CHED CC[C@@H](CC(=O)Nc1cc(OC)c(C#N)cc1F)C(C)C 1588232191 DVRKZPTWGMLLNO-NSHDSACASA-N 292.354 3.717 30 20 CHED C=CC[C@@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1588771015 LHFQUTNZCDEINJ-SNVBAGLBSA-N 276.311 3.668 30 20 CHED CCCCCCCNC(=O)Nc1ccc(F)c(C(=O)O)c1 1595704491 QNEKXRABRBKOKR-UHFFFAOYSA-N 296.342 3.616 30 20 CHED C=C(Cn1c(C)nnc1N(C)C[C@H](C)CC)c1ccccc1 1760362390 JIJUBUVPWBVQTC-CQSZACIVSA-N 298.434 3.782 30 20 CHED N#Cc1cc(F)cc(NC(=O)NCCC2CCCCC2)c1 1673773425 IZNDEEOULWXFOB-UHFFFAOYSA-N 289.354 3.789 30 20 CHED Cc1sccc1/C=C\C(=O)c1csc(C(=O)O)c1 1777560596 ZWDDGRZTYWBUOK-IHWYPQMZSA-N 278.354 3.712 30 20 CHED C[C@@H]1C(=NNc2ccc(F)cc2Cl)CC[C@@H]1CC(=O)O 1776106634 NZHFOSVQOGANCF-DTWKUNHWSA-N 298.745 3.768 30 20 CHED CC(C)[C@H]1/C(=C\c2cc(C(=O)O)co2)C(=O)c2ccccc21 1776308813 QMPDTECLMKCROX-WPBGYSLVSA-N 296.322 3.997 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)ccc1Cl 150832577 AVZXFSYPXYHOAE-ZETCQYMHSA-N 259.136 3.689 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(C#N)c1 161220700 IOYPHHPNWLRVRL-ZBFHGGJFSA-N 270.376 3.599 30 20 CHED CCCC[C@H](CC)C(=O)N[C@@H](C#N)c1ccccc1F 161305787 QCWUNWSZIRYCDJ-WFASDCNBSA-N 276.355 3.723 30 20 CHED CCC[C@H](C(=O)N[C@@H](C#N)c1ccccc1F)C(C)C 163080625 XLPVPCHTNSDIDQ-WFASDCNBSA-N 276.355 3.579 30 20 CHED Cc1cccc(C(=O)OC[C@H](C#N)Cc2cccs2)c1C 153309195 GGAJEJWUBAJPDF-AWEZNQCLSA-N 299.395 3.904 30 20 CHED CC(C)(C#N)C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 153835786 NLBPSUUXHCFMSB-QGZVFWFLSA-N 298.430 3.798 30 20 CHED C=CCCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 154734842 BVOKSJBAHMZEOS-QGZVFWFLSA-N 287.428 3.860 30 20 CHED Cc1cc(C#N)cc(NCc2nc(Cl)cs2)c1 1206270339 MCLKQTSDKCOYKG-UHFFFAOYSA-N 263.753 3.589 30 20 CHED N#Cc1cccc(NC(=O)CCSCCC2CCC2)c1 1118535159 CKKPUSCUQCTIPF-UHFFFAOYSA-N 288.416 3.810 30 20 CHED CCCSC[C@@H](C)Nc1ccc(OCC#N)cc1 1262480716 SVIMVJABMZVPMK-GFCCVEGCSA-N 264.394 3.533 30 20 CHED C=CCNc1nc(-c2ccc(OC)cc2)c(C)s1 21275194 DTGJAHFWECRGEV-UHFFFAOYSA-N 260.362 3.725 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)c(F)c1 11470714 PYTZUEYTHRZMAS-YOEHRIQHSA-N 272.367 3.852 30 20 CHED C#CCCCCCCN[C@@H]1CCO[C@H](C(C)(C)C)C1 877123583 LURHWJTZWAYMIG-CVEARBPZSA-N 265.441 3.753 30 20 CHED CCCCCCCCN1CCC(O)(C(F)(F)F)CC1 128101223 GZDPECQEWRFEJH-UHFFFAOYSA-N 281.362 3.736 30 20 CHED C=CCSCCNC(=O)c1ccc(F)c2ccccc12 236184552 FCRDVCAZCNZHNI-UHFFFAOYSA-N 289.375 3.628 30 20 CHED N#Cc1ccc(CN(Cc2cccs2)C2CC2)cc1 42349974 SWQCLNLSYUTABC-UHFFFAOYSA-N 268.385 3.784 30 20 CHED C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C 35121335 YOVWRJPLBSQWPO-NQBHXWOUSA-N 273.336 3.703 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2ccc(C#N)cc2)CCO1 270816962 XRJQTHBCRHBBDX-LSDHHAIUSA-N 258.365 3.564 30 20 CHED CCN(Cc1ccc(C#N)cc1F)c1cccc(F)c1 44349958 IKKNGHKCWRIFAU-UHFFFAOYSA-N 272.298 3.863 30 20 CHED C=CC[C@@H](CC)Nc1ccncc1Br 308514244 MBXHQZLFKNDRJA-SECBINFHSA-N 255.159 3.611 30 20 CHED C=CCC(C)(C)CNC[C@H]1CCOc2ccccc21 311595532 BHCLUTFODLXGIU-CQSZACIVSA-N 259.393 3.745 30 20 CHED CC[C@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@H](O)CC 313114927 PCBWSNBKHQQQRP-WCQYABFASA-N 286.297 3.538 30 20 CHED CC(C)n1ccc(CNc2ccc(C#N)c(Cl)c2)n1 77993263 JDLFIAOCCGSPGW-UHFFFAOYSA-N 274.755 3.601 30 20 CHED N#Cc1ccc(Cl)cc1NCc1nnc(C2CC2)s1 413578449 JQFDMWMZXMVJKE-UHFFFAOYSA-N 290.779 3.553 30 20 CHED N#CC1CCN(C(O)=Nc2cccc3ccsc23)CC1 328764974 DVIXHRZRYARKGK-UHFFFAOYSA-N 285.372 3.682 30 20 CHED O/C(=N/Cc1nc2ccccc2[nH]1)[C@H]1CC12CCCC2 329993154 LCOYDIVKOVDCGS-LLVKDONJSA-N 269.348 3.600 30 20 CHED Cc1scc(C(=O)Nc2cc(F)cc(C#N)c2)c1C 720327143 VISJGKFGWYQUCH-UHFFFAOYSA-N 274.320 3.628 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC23CCCCC3)c1 386989720 FHAMISIEMYQSGM-CQSZACIVSA-N 271.320 3.601 30 20 CHED C=CC[C@@H](CC)NC[C@@H](O)c1cccc(C(F)(F)F)c1 393845828 DSFAZFDJIODXBZ-ZIAGYGMSSA-N 287.325 3.683 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 397675544 KIAMSWZIIDICPQ-JTQLQIEISA-N 297.185 3.759 30 20 CHED CCCc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 7690100 KTAJBLRNMQJDEH-UHFFFAOYSA-N 294.354 3.528 30 20 CHED Cc1cc(C)cc(C2(C(=O)Nc3cccc(C#N)c3)CC2)c1 54865132 CXKYRMZWNDUOOV-UHFFFAOYSA-N 290.366 3.845 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)C1(C#N)CCCCC1 57398364 XSCKCWYYUOONRK-INIZCTEOSA-N 282.387 3.573 30 20 CHED N#Cc1ccsc1C(=O)N1CCC[C@H]1c1cccs1 52028888 JOONQIMXNOEQLC-NSHDSACASA-N 288.397 3.659 30 20 CHED C=C(Br)CN[C@H](C)c1cc(C)cc(C)c1 133307382 LEXJMNSXPCRNAQ-GFCCVEGCSA-N 268.198 3.863 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(F)ccc2C)c1 103028092 JCVSTUVZRWPQCU-UHFFFAOYSA-N 281.330 3.782 30 20 CHED C=CCCC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 173949020 PRVMEUWUXTVXDO-HOCLYGCPSA-N 257.377 3.605 30 20 CHED CC[C@]1(C)CCCN(c2c(F)cc(C#N)cc2F)C1 462959033 XNLHAGUJTLUFCR-OAHLLOKOSA-N 264.319 3.853 30 20 CHED CCOc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1F 55339714 NDFBFFMVFLDOFT-UHFFFAOYSA-N 299.305 3.740 30 20 CHED CC(C)(C#N)C(=O)NCc1cccc(Oc2ccccc2)c1 55363700 FYFJZHKZLOSNSJ-UHFFFAOYSA-N 294.354 3.645 30 20 CHED C=CCCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 172746587 FAFJBDJTROUZQC-YCPHGPKFSA-N 257.377 3.746 30 20 CHED C=CCN1CCC(NC(=O)CCCC2CCCCC2)CC1 171722081 JWERQVCITPFUDR-UHFFFAOYSA-N 292.467 3.504 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(Cl)cc1C 116996360 VZCOJEJRSCTNHD-JTQLQIEISA-N 252.745 3.735 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(OC(F)(F)F)cc1 119366878 HSVHYGDPDIRDBG-VHSXEESVSA-N 259.271 3.810 30 20 CHED C#Cc1cccc(N(C(=O)CC[C@H]2CCCCO2)C(C)C)c1 110283396 UHCDDESGSZGQDX-GOSISDBHSA-N 299.414 3.759 30 20 CHED C=CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 110364138 OFMFFNRFRHCUFQ-CVEARBPZSA-N 289.806 3.868 30 20 CHED CC(C)[C@H]1OCCC[C@H]1CNc1ccc(C#N)cc1F 301599663 UMTVRXBLPSPDEZ-XJKSGUPXSA-N 276.355 3.560 30 20 CHED CCc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)s1 116799984 BYQLTNTYFFJTMA-NHYWBVRUSA-N 276.405 3.513 30 20 CHED C=CCCC(=O)[C@@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 113653584 CZAIXPVHPMIOHO-XJKSGUPXSA-N 298.386 3.814 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(CC)ccn1 179899951 FEBRMCBSHXLVTC-UHFFFAOYSA-N 286.400 3.534 30 20 CHED CC(C)CCn1ccc(Nc2ccc(Cl)c(C#N)n2)n1 302053160 YIFFIQMLONTPOC-UHFFFAOYSA-N 289.770 3.593 30 20 CHED C[C@@H](CNc1cccc(C#N)n1)Sc1ccccc1 301470842 OZSQANRONXBTTN-LBPRGKRZSA-N 269.373 3.546 30 20 CHED CC(C)(CNc1c(C#N)cccc1C#N)c1cccs1 302873314 CYBQQZMEGAVFNQ-UHFFFAOYSA-N 281.384 3.881 30 20 CHED C=CCCC(=O)N(CCc1ccc(C)cc1)CC(F)(F)F 174302293 SPCWMGSJKRVBOM-UHFFFAOYSA-N 299.336 3.895 30 20 CHED COc1ccc(CCN[C@@H](C)c2ccc(C#N)cc2)cc1F 174052601 JEHCVCAPYMKFTD-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED C=CCOc1ccc(Oc2c(C#N)cccc2C#N)cc1 302875331 FGSIIVKFWABBCA-UHFFFAOYSA-N 276.295 3.787 30 20 CHED Cc1cc(C)c2c(c1)CN(c1ccc(C#N)cc1)CC2 302486195 RXPIEOSXDDCDAA-UHFFFAOYSA-N 262.356 3.738 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cccc(F)c1F 188558652 HPNKUQCXFWMEDU-BMIGLBTASA-N 267.319 3.744 30 20 CHED C#CCOc1ccccc1NC(=O)c1ccc(CC)cc1 187224079 DSIXRCFJVJVZEZ-UHFFFAOYSA-N 279.339 3.513 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc3ncsc3c2)C1 185891115 NPFMFBKCWCYKPH-MNOVXSKESA-N 257.362 3.791 30 20 CHED CCOc1cccc(/C=C2\COc3c(F)cccc3C2=O)c1 72042124 FDEWSOUNHPPVFZ-UKTHLTGXSA-N 298.313 3.883 30 20 CHED CC[C@H](CC#N)OC(=O)c1cccc2c(C)c(C)[nH]c12 187929736 BNRMWTXURYHNLI-GFCCVEGCSA-N 270.332 3.634 30 20 CHED Cc1cccc(C)c1/C=C/C(=O)c1cnn(C(C)C)c1 121143087 YVNKRNPCLSSFCS-CMDGGOBGSA-N 268.360 3.977 30 20 CHED COC1CCC(Nc2ccc(OC(C)C)c(C#N)c2)CC1 183166828 CWDBFDXJDDNVRO-UHFFFAOYSA-N 288.391 3.715 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 180954198 RBPLIAKMCRZAAX-OLZOCXBDSA-N 287.407 3.586 30 20 CHED CN(CC(C)(C)CCC#N)CC1(c2ccccc2)CC1 188716293 KLEBKTOCDGBCLZ-UHFFFAOYSA-N 270.420 3.980 30 20 CHED C=CCn1c([C@H](CC)c2ccccc2)nnc1N(C)CCC 508485813 AEQSAFQAURFPHJ-MRXNPFEDSA-N 298.434 3.852 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)Cc2ccoc2)s1 411006878 KTOFJFSYLHKWAN-UHFFFAOYSA-N 288.372 3.691 30 20 CHED C=C(C)CNC(=O)c1ccccc1Nc1ccccc1OC 505983655 AYBNSFCPFOKERB-UHFFFAOYSA-N 296.370 3.745 30 20 CHED N#Cc1cnc(N2CCC[C@H]2C2CCCCC2)c(F)c1 413073927 QQWDIQCKIDVVOF-HNNXBMFYSA-N 273.355 3.641 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1 127770951 DSDSEXJFPCYEKB-RHSMWYFYSA-N 299.418 3.526 30 20 CHED C[C@@H](Sc1nnc2n1CCCCC2)c1cccc(C#N)c1 189785208 FTMVCRPDOPSWLZ-GFCCVEGCSA-N 298.415 3.729 30 20 CHED CC(C)(C#N)CCCCN1CCC(OC(C)(C)C)CC1 336828214 XGSKKXJDRJKFOC-UHFFFAOYSA-N 280.456 3.986 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1[C@@H](C)CC[C@H]1C 413833542 KPVHSFUYEAVLHP-HLLBOEOZSA-N 286.419 3.756 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(Br)ccc1F 157261514 GQWVKFGSCLEOMN-BDAKNGLRSA-N 272.161 3.813 30 20 CHED C=CCC(CC=C)C(=O)N(CC=C)Cc1ccccc1 123136802 VCSIYZKWPXKZFZ-UHFFFAOYSA-N 269.388 3.970 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C1C2CC3CC(C2)CC1C3 317365858 JIOYIFKLCFXLDK-UHFFFAOYSA-N 298.361 3.708 30 20 CHED C=C(C)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 122792355 NMJVTNCFNJYLTA-UHFFFAOYSA-N 260.215 3.602 30 20 CHED N#CCc1ccc(NC2CCC(C(F)F)CC2)cc1 442836913 IZNMOBLPWGSXQW-UHFFFAOYSA-N 264.319 3.988 30 20 CHED N#Cc1c(NC(=O)/C=C\c2ccco2)sc2c1CCCC2 33286953 SDFIOFKDADNBDN-FPLPWBNLSA-N 298.367 3.743 30 20 CHED C=CCC1(C(=O)N(C)c2cccc([N+](=O)[O-])c2)CCCC1 410616563 UBLNBYABDNRJPK-UHFFFAOYSA-N 288.347 3.694 30 20 CHED CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1sccc1C#N 184659357 MSVLJBZLIPRSKA-YPMHNXCESA-N 292.404 3.544 30 20 CHED CSC[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 411760778 STPPTVQXJZNOOY-OAHLLOKOSA-N 280.481 3.926 30 20 CHED CCN(CCC1CCN([C@H](C)CCC#N)CC1)CC1CC1 411421674 BLUGZYKQQNKCST-MRXNPFEDSA-N 291.483 3.513 30 20 CHED C=CC[C@@H](C(=O)NCC(C)(C)SC)c1ccccc1 188356280 KOUOVMLOJWIYSH-CQSZACIVSA-N 277.433 3.604 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1 132023823 CQOTXLZJEULIIU-OIISXLGYSA-N 299.418 3.909 30 20 CHED C[C@H](NC(=O)CCC1CCCC1)c1cccc(C#N)c1 75264497 CXBYBDXIIZUTEH-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED C=C(C)[C@@H](NCc1ccco1)c1ccc(F)c(F)c1 187369829 RVEGMHSNVFWREQ-OAHLLOKOSA-N 263.287 3.965 30 20 CHED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](C)C#N 334394792 BBMFOJAVJMMFBX-BDAKNGLRSA-N 285.174 3.672 30 20 CHED CC(C)CC(C)(C)C(=O)N1CCc2cc(C#N)ccc21 416016151 RTZIORDLUDXGCQ-UHFFFAOYSA-N 270.376 3.520 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1cccs1)c1ccc(C#N)cc1 78058531 KFVBXPUNGOPAIL-RYUDHWBXSA-N 284.384 3.601 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@@H](CC)CC#N 183813156 MOZFGPRLHXPLTD-KGLIPLIRSA-N 252.402 3.791 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(C)c2ccccc12 412251403 PJLIRGYGVZBUAH-CYBMUJFWSA-N 266.344 3.570 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2cccc(C)c2)CCC1 42706256 CXDPVHGJCPKMNE-UHFFFAOYSA-N 271.404 3.841 30 20 CHED CC[C@H](C#N)OC(=O)CCCCc1ccc(C)cc1 84709113 DZPWSFDTAKCOST-OAHLLOKOSA-N 259.349 3.553 30 20 CHED CCC(=O)c1cccc(NCCOc2ccc(C#N)cc2)c1 135736376 QRRIRLVAPIWAFX-UHFFFAOYSA-N 294.354 3.642 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(Cl)nc1 178341902 VTLYLXCAEITLJT-UHFFFAOYSA-N 257.724 3.527 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 525182744 YDNSDBIYSIVMPJ-BRWVUGGUSA-N 254.377 3.617 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CC[C@H](C)c1ccccc1 137016661 LXEARALVAZKRFX-YOEHRIQHSA-N 272.392 3.625 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc(CC)o2)n1 508671073 KHAXNJTYCUMLNP-CSKARUKUSA-N 258.321 3.904 30 20 CHED CC1(C)C[C@H](/N=C(/O)c2csc(O)n2)c2ccccc21 329973576 ZQCHQQFRJKGBTO-NSHDSACASA-N 288.372 3.576 30 20 CHED CC[C@@](C)(C#N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 340942731 DFZHMFYFJFWWAR-INIZCTEOSA-N 290.794 3.771 30 20 CHED C=CCCCCNc1ncc(Br)cc1F 379995114 ZYGIKZFTCUOJRH-UHFFFAOYSA-N 273.149 3.751 30 20 CHED N#Cc1cccc(COc2cccc(Cl)c2)c1F 223536750 VTUNJORYZMINGQ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CN(CC#Cc1ccc(C(F)(F)F)cc1)CC1CCC1 427018785 CTSLEOGZDRDWGZ-UHFFFAOYSA-N 281.321 3.789 30 20 CHED CC1(C)[C@@H](N[C@@H]2CC[C@H](C#N)C2)C[C@H]1OCc1ccccc1 424334435 VNHHWFDVPZDTTQ-XWTMOSNGSA-N 298.430 3.652 30 20 CHED O/C(Cc1ccon1)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329875449 GOBMOPLXFQFGSR-RWMBFGLXSA-N 262.353 3.533 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 428046761 BXONDQQEBVEBGP-HNNXBMFYSA-N 295.386 3.566 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccc(-c2ccccc2Cl)o1 194717398 XVLSAQLMJGDIQP-JTQLQIEISA-N 288.734 3.632 30 20 CHED C=CCN(C(=O)C1CC2(CCC2)C1)c1ccccc1 515485191 YDMWGDSJVCNBEB-UHFFFAOYSA-N 255.361 3.786 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](OC(C)C)c1ccccc1 512097671 FRJAISWSTCGAGI-JKSUJKDBSA-N 275.392 3.624 30 20 CHED Cc1nc2c(OCc3cccc(F)c3C#N)cccc2o1 427519641 REGQKILJXOPZDX-UHFFFAOYSA-N 282.274 3.726 30 20 CHED CC[C@H](C#N)OC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 84708803 XNRSYVSHRWUOFG-UPJWGTAASA-N 298.169 3.942 30 20 CHED C[C@H](Sc1cccc(F)c1C#N)c1cccnc1 517008424 KKXAGIHHLPBGLW-JTQLQIEISA-N 258.321 3.946 30 20 CHED CCCCCCCCS(=O)(=O)c1ccc(O)cc1 196772726 AEIPCIJAJUHASV-UHFFFAOYSA-N 270.394 3.526 30 20 CHED C=CCN(C(=O)c1cccc(C)c1Br)C1CC1 221283328 ZHMJTYYZHUJESQ-UHFFFAOYSA-N 294.192 3.548 30 20 CHED CCc1cccc(N/C(O)=N/CC2CCC(C#N)CC2)c1 331261655 CGLUJZDUMGSCFA-UHFFFAOYSA-N 285.391 3.905 30 20 CHED C=CCOc1cccc(CN[C@H](C)c2ccncc2F)c1 337948927 YAHHYUYLRWXXQZ-CYBMUJFWSA-N 286.350 3.636 30 20 CHED CCC1(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CCC1 425641636 WIIPRVVZJJPLSV-CYBMUJFWSA-N 270.376 3.658 30 20 CHED CCCCC[C@H](C)C/C(O)=N/S(=O)(=O)C1CCCC1 86055469 GKDGQQSNVVUTOI-LBPRGKRZSA-N 289.441 3.822 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C)c1ccccn1 191173860 REAXWTALJBQEPA-LBPRGKRZSA-N 267.332 3.525 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)c1ccc(F)c(C#N)c1 336579916 QWODWWSKQWGSPZ-JTQLQIEISA-N 288.347 3.592 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@H](C)CC)c1 98029863 GRAYLZOWMDNJNK-GFCCVEGCSA-N 262.353 3.514 30 20 CHED C=C(CC)COc1ccc2c(c1)OC(C)(C)CC2=O 97208093 UMBDQLSXBLHIAB-UHFFFAOYSA-N 260.333 3.775 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CC1(C)C)c1ccccc1 337481261 VXHVRUSQJBLLNY-GJZGRUSLSA-N 257.377 3.856 30 20 CHED CC(C)[C@@H]1CCN1C(=O)Nc1ccc(CC#N)cc1Cl 334728885 JMQAYOILGRRWRI-AWEZNQCLSA-N 291.782 3.668 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccnc1 336397409 NBRZBOGKYVBLLP-UHFFFAOYSA-N 299.761 3.523 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)C1CCCCCC1 337906614 VGSKQGJRATYOID-UHFFFAOYSA-N 270.376 3.662 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1F 426197324 BREAWODPJJSMTG-ZDUSSCGKSA-N 296.773 3.729 30 20 CHED CN(C(=O)Nc1ccc(CC#N)cc1Cl)C1CCCC1 335583844 KODRRBFBJDQPNF-UHFFFAOYSA-N 291.782 3.812 30 20 CHED CC(C)Sc1ccccc1C(=O)N[C@H]1CCC[C@H]1C#N 334043582 JSSILFZTWJKFSR-JSGCOSHPSA-N 288.416 3.609 30 20 CHED Cc1ccccc1Cc1noc(-c2cccc(C#N)c2)n1 230958230 VTYRQHHZZQZZSI-UHFFFAOYSA-N 275.311 3.508 30 20 CHED Fc1ccc(C#CCn2cc(-c3ccccc3)cn2)cc1 433375369 PHXSMHDDYIWKSM-UHFFFAOYSA-N 276.314 3.741 30 20 CHED N#CCCC1CCN(c2ccc3ccccc3n2)CC1 335377747 CZFLQWMAVNZBRQ-UHFFFAOYSA-N 265.360 3.755 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/[C@@H]2CC=CCC2)s1 330909619 GGWQHNDYHLXJQW-GHMZBOCLSA-N 280.393 3.654 30 20 CHED Cc1ccc2c(C(=O)N[C@@H]3CCC[C@@H]3C#N)csc2c1 331721315 KNAWJMHNFWWFTM-BXUZGUMPSA-N 284.384 3.632 30 20 CHED C=C(C)COCCN[C@H]1CC[C@H](Cc2ccccc2)C1 436286100 APHXIZDUXDDHOR-MSOLQXFVSA-N 273.420 3.580 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)[C@@H](C#N)c1ccccn1 344741026 OKFMAQMHRXDYFF-AWEZNQCLSA-N 293.370 3.652 30 20 CHED CSc1ccc(CCNc2nc(C)ccc2C#N)cc1 343033716 KKFKBRNPAALXEK-UHFFFAOYSA-N 283.400 3.638 30 20 CHED CCOc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1 348141156 SWJXSYJDADKTLE-UHFFFAOYSA-N 289.379 3.537 30 20 CHED N#Cc1cc[nH]c(=NC[C@H](c2ccccc2)C2CC2)c1Cl 431487376 XEGUBAUPBKLIHI-OAHLLOKOSA-N 297.789 3.634 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)c1cc(C#N)oc1C 435692640 PZHCOKLNDNDVKA-OAHLLOKOSA-N 296.370 3.601 30 20 CHED CC(C)[C@@H](CC(=O)NCC1(CC#N)CC1)c1ccccc1 431182657 PCOOXXVDPNSWOM-MRXNPFEDSA-N 284.403 3.626 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(F)c(C)c1 439518536 HCQPDCRVABGGKY-NSHDSACASA-N 250.317 3.610 30 20 CHED N#CC1(CN2CCC[C@]3(CCCc4ccccc43)C2)CC1 343314892 PFIURFNUTPTNQU-LJQANCHMSA-N 280.415 3.660 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCC2(C(F)(F)F)CCC2)c1 343941926 JDMNHEQRESVGBA-UHFFFAOYSA-N 299.252 3.611 30 20 CHED C=CCC[C@@H](NC[C@H](O)Cc1ccccc1)c1ccccc1 341938741 FLZKTRJDWXGQTD-WOJBJXKFSA-N 295.426 3.887 30 20 CHED C[C@H](NC(=O)c1cscc1C#N)c1cc2ccccc2o1 349245179 GFYHSLMIHZVWGN-JTQLQIEISA-N 296.351 3.857 30 20 CHED CC1CC(C#N)(C(=O)N2CCCC3(CCCCC3)CC2)C1 527060470 SNSVRHISSJIEHX-UHFFFAOYSA-N 288.435 3.889 30 20 CHED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C#N)C2CC2)n1 601072946 YMEHCZNXVTXDQV-NSHDSACASA-N 297.305 3.675 30 20 CHED N#Cc1cnccc1/C=C\c1cc(F)c(F)cc1F 349108178 KXHZIBQIKCHVQJ-UPHRSURJSA-N 260.218 3.541 30 20 CHED CCSCc1ccccc1C(=O)[C@H](C#N)c1ccccn1 434625462 JIMBHKQJJYTBEB-OAHLLOKOSA-N 296.395 3.825 30 20 CHED Cc1c(C#N)c(-c2ccccc2)nc2cc3c(cc12)OCO3 603804117 JWYJQLQQBBJZDO-UHFFFAOYSA-N 288.306 3.811 30 20 CHED C[C@H](CCC#N)CNC[C@@H]1CCC[C@H](C(F)(F)F)C1 602574368 ZIHXXLFHJBVNFC-UPJWGTAASA-N 276.346 3.885 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(Cl)cc1F 349102491 AUEGLDKVZLMDPV-UPHRSURJSA-N 258.683 3.916 30 20 CHED Cc1ccc([C@H](C)N(C)CCOc2cccc(C#N)c2)cc1 603849788 LQGRHZHXVCSQRW-INIZCTEOSA-N 294.398 3.939 30 20 CHED O=C(/C=C\c1c(Cl)nc2ccccn12)c1cccc(O)c1 255333378 QKBAZBGWYHFSFL-FPLPWBNLSA-N 298.729 3.589 30 20 CHED N#Cc1ccc(/C=C\c2ccc(Br)cc2)nc1 255644332 YKAZLUGMDPNNIR-CLTKARDFSA-N 285.144 3.886 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 520262606 NJGBSTYUIJSCLF-QLJPJBMISA-N 288.322 3.689 30 20 CHED Cc1ncccc1/C=C\C(=O)c1c[nH]c2ccccc12 255386522 YMDLFESJKWPMFT-HJWRWDBZSA-N 262.312 3.767 30 20 CHED CCN(C(=O)C1CCCC1)[C@@H](C)c1ccc(C#N)cc1 252012223 SRZDRPGTWXDSFH-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED COc1cc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1C#N 440827260 PVVCVMBHQVWLGA-ZMSDIMECSA-N 284.403 3.625 30 20 CHED C=C(C)CCNCc1cn(C)nc1-c1ccccc1Cl 449480365 YCFGUSHYWLMUPH-UHFFFAOYSA-N 289.810 3.796 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC(F)(F)C[C@@H]1C 528291016 CICHHIKQURVLPD-NEPJUHHUSA-N 298.381 3.602 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1F 255329929 GUXKIGODINEUAN-WAYWQWQTSA-N 287.315 3.664 30 20 CHED C=C(CC)CN[C@@H](C)CC(=O)Nc1cccc(C)c1C 449737411 ZXESHIQYIHOKMR-AWEZNQCLSA-N 274.408 3.576 30 20 CHED Cc1ccc(C(=O)CSc2ccc(C#N)cn2)c(C)c1 353715040 WIEOWXSHIYEDSI-UHFFFAOYSA-N 282.368 3.545 30 20 CHED C[C@H]1c2ccccc2OCCN1c1ncc(C#N)cc1Cl 609630929 PPKYWUGFHPPBAC-NSHDSACASA-N 299.761 3.567 30 20 CHED C=CCC1(C(=O)Nc2ncc(CC)s2)CCCC1 449977776 ICIJBESEBQYWQQ-UHFFFAOYSA-N 264.394 3.781 30 20 CHED COc1c(F)cc(F)cc1NCCCC(C)(C)C#N 532412612 ZHNVNVATOBSODX-UHFFFAOYSA-N 268.307 3.715 30 20 CHED CCCn1ccc2ccc(NC(=O)N(C)C[C@@H](C)C#N)cc21 266390713 JEWUAQAHHANANZ-ZDUSSCGKSA-N 298.390 3.675 30 20 CHED C=CCOc1cccc(CN2CCC3(CCC3)C2)c1 353688063 NYXIINJJCORFTL-UHFFFAOYSA-N 257.377 3.627 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 600803734 WERAOGOCMUUGEO-CQSZACIVSA-N 290.794 3.773 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2ccccc2n1CC 449217500 ZQIJVWACXOKBMC-UHFFFAOYSA-N 271.364 3.597 30 20 CHED CC(C)CN(C(=O)c1cc(C#N)cs1)C1CCCC1 267620050 KQWGTTPBGRXUIJ-UHFFFAOYSA-N 276.405 3.661 30 20 CHED Cc1cccc([C@@H](C)NCCOc2cccc(C#N)c2)c1C 538188107 LZSCMSGNCZTLQZ-MRXNPFEDSA-N 294.398 3.905 30 20 CHED C[C@H](NCc1cccc(F)c1F)c1cccc(C#N)c1 610344632 BJHFBXLRSGTJKY-NSHDSACASA-N 272.298 3.687 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 448667435 XMJVBUQONZQZOS-XKQJLSEDSA-N 284.403 3.952 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC(C)C)C1CCCC1)OCC 535163650 YFTGBLISDNAFCN-MRXNPFEDSA-N 281.440 3.785 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H](C)c2ccco2)cc1C#N 610934150 INYBAENRHUXGNN-GFCCVEGCSA-N 298.342 3.681 30 20 CHED CC(C)(CCC#N)CN[C@@H]1C[C@@H]1Cc1ccccc1 266176002 SXTOVGLOVAMEEN-JKSUJKDBSA-N 256.393 3.537 30 20 CHED N#Cc1csc(-c2nc(-c3ccc4cc[nH]c4c3)no2)c1 356136079 NLRUZKZBYRQONR-UHFFFAOYSA-N 292.323 3.818 30 20 CHED Cc1cc(CNCCCSCC(C)C)ccc1C#N 443989705 PMWRKYUCFDGCBC-UHFFFAOYSA-N 276.449 3.736 30 20 CHED CCn1c(-c2cccc(COC)c2)nc2cc(C#N)ccc21 535357893 WBIVYDJBKJKFCC-UHFFFAOYSA-N 291.354 3.741 30 20 CHED C=CCCOCCCCC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 539501234 CZRQRIUWDUWYQS-ZACQAIPSSA-N 293.451 3.929 30 20 CHED COCCOc1cccc(NCc2ccc(C#N)c(C)c2)c1 443968468 PYXKRWQCJVFSQZ-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=C1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1 354141162 KZJSJEBHPUSXLK-UHFFFAOYSA-N 295.382 3.643 30 20 CHED COc1ccccc1C1(CN[C@@H]2CC[C@H](C#N)C2)CCCC1 442723349 WWMCCLZMQKQIHW-JKSUJKDBSA-N 298.430 3.789 30 20 CHED Cc1ccsc1CCCC(=O)N1CCC[C@](C)(C#N)C1 612242197 AYCAZWFQDUXQOV-MRXNPFEDSA-N 290.432 3.532 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)C1CCCC1 618805561 IBYRGDVONIYIGZ-SJKOYZFVSA-N 254.377 3.714 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(-c2ccco2)s1 610799087 DTMOZNRQFCDPIL-LLVKDONJSA-N 288.372 3.630 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1ccc2ccccc2c1 614800160 LBINOSGDBGJTGG-CQSZACIVSA-N 287.366 3.957 30 20 CHED C[C@@H](N[C@@H](C#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 610242371 QPTDYUHQAHIBKG-WBMJQRKESA-N 281.315 3.510 30 20 CHED CCCc1nc(C)c(C(=O)N(C)c2ccc(C#N)cc2)s1 266176398 LASYQXMPZZFJCR-UHFFFAOYSA-N 299.399 3.552 30 20 CHED CCC[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)C(C)C 619766119 OKZWVIYNCNRMRN-CQSZACIVSA-N 292.810 3.900 30 20 CHED C=C[C@@H](C)NC(=O)c1oc2ccccc2c1CSC 610689080 HQHXXAAAEFJQFB-SNVBAGLBSA-N 275.373 3.600 30 20 CHED CCc1cccc(NC(=O)c2cc(C)c(C#N)cn2)c1CC 457759373 HQWVAHPTENHOSJ-UHFFFAOYSA-N 293.370 3.639 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC[C@@H]3C[C@H]23)cc1OC 459751547 HYAKTRMYUQDWNE-PMPSAXMXSA-N 287.403 3.538 30 20 CHED C=CC(C)(C)CNC(=O)NCc1ccc(CSC)cc1 454962301 NZKSMFZHGXUZQI-UHFFFAOYSA-N 292.448 3.561 30 20 CHED CCCC[C@H](COC)N[C@H](C)c1ccc(C#N)c(F)c1 271963192 RRMSFZIBERIJDI-IUODEOHRSA-N 278.371 3.553 30 20 CHED COCCCC[C@H](NCC1(C#N)CCC1)c1ccccc1 450889377 QNCWXMJRFBIVME-KRWDZBQOSA-N 286.419 3.828 30 20 CHED CCCC[C@@H](CCC)CNC(=O)N(C)CC(C)(C)C#N 458506906 GPTDFSHXAPDYOZ-CQSZACIVSA-N 281.444 3.784 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1N1CCCC1 454265343 NAFHBWJPWNIUCH-UHFFFAOYSA-N 287.407 3.621 30 20 CHED CCC[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C(C)(C)C 452671402 MNGFFRZTRDURBR-XJKSGUPXSA-N 286.419 3.993 30 20 CHED N#Cc1ccc(F)cc1CN(C1CCCCC1)C1CC1 610728522 MJXMSCABRZRTFR-UHFFFAOYSA-N 272.367 3.994 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccnc1-c1ccccc1 362832536 ZVEIYMITXRGCTP-UHFFFAOYSA-N 279.343 3.627 30 20 CHED C[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 540706605 CLSKRFNAWLGFFY-LALPHHSUSA-N 260.356 3.927 30 20 CHED C=CC[C@H]1N(C(=O)c2cnn(C(C)C)c2)CCCC1(C)C 278468661 UFAGGRKIPHASOI-OAHLLOKOSA-N 289.423 3.671 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CC1CCCCCC1 464158778 PPDUAWPONQBCQA-MRXNPFEDSA-N 264.413 3.791 30 20 CHED CC(C)O[C@@H]1C[C@H](NCCCCC(C)(C)C#N)C1(C)C 451505503 SUGQPKYZNUVVSC-LSDHHAIUSA-N 280.456 3.888 30 20 CHED C=CCC1(C(=O)NCc2ccc(OC)cc2F)CCCC1 450104625 JBAPSAGUBPFVID-UHFFFAOYSA-N 291.366 3.587 30 20 CHED C=CC[C@H](C)[C@H](C)NCCC1CCC(OC)CC1 543623791 CIRQBHVHQLNQNF-FXQLRMTLSA-N 253.430 3.772 30 20 CHED C=C[C@@H](C)NC(=O)NCc1ccc(C)cc1O[C@@H](C)CC 464759563 WHVMCNANJYBJSE-KGLIPLIRSA-N 290.407 3.546 30 20 CHED FC(F)(F)c1ccc(C#CCN2C[C@@H]3CCC[C@H]3C2)cc1 464887503 NHRYWWOPIRARRB-GJZGRUSLSA-N 293.332 3.789 30 20 CHED Cc1cccc(OCCN(C)Cc2ccc(CC#N)cc2)c1 542211704 MKBBKHFMSSVYSU-UHFFFAOYSA-N 294.398 3.572 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Cl)cc1OC(F)F 460271843 ZXNWXFLXQBSNBW-ZETCQYMHSA-N 290.697 3.637 30 20 CHED Cc1cccc([C@@H](C)CNc2nccc(C)c2C#N)c1 543207275 NFHYKGNCZVJADD-AWEZNQCLSA-N 265.360 3.786 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(Cl)ccc(F)c1C 466526948 KXEUMJUSSCFSAE-SNVBAGLBSA-N 269.747 3.872 30 20 CHED N#Cc1c(Cl)nsc1SCCC(F)(F)F 280197328 JGLJTAPPDSNJNB-UHFFFAOYSA-N 272.704 3.713 30 20 CHED C[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1Cl 553218336 CHRILSOJPQAQBD-LBPRGKRZSA-N 298.773 3.897 30 20 CHED C=CCN(C(=O)c1cc2c(s1)CCCCC2)C1CC1 552500566 NNQBECGLFWGDEF-UHFFFAOYSA-N 275.417 3.808 30 20 CHED C=CCC[C@H](CC)NC[C@@H]1CCN(c2ccccc2F)C1 462820784 ZDFLWGCZBZIBFJ-HOTGVXAUSA-N 290.426 3.986 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ccc(SC)cc1 281405340 WPJIBNPAZGFSNR-GFCCVEGCSA-N 263.406 3.942 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](CO)c1cccc(Cl)c1F 467415129 AHSNBDPCWAREOK-COPLHBTASA-N 285.790 3.703 30 20 CHED C[C@H](C(=O)NCCC1CCCCC1)c1cccc(C#N)c1 461902074 QBQAMFDEQVUJOR-AWEZNQCLSA-N 284.403 3.748 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Cl)c2cccnc12 466529966 MQFLLNKMARMFPL-NSHDSACASA-N 288.778 3.973 30 20 CHED C=CCCN(C)C(=O)Nc1ncc(-c2ccccc2)s1 466962033 AMFANDRZVLZVQN-UHFFFAOYSA-N 287.388 3.850 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)c1cccs1)c1cccc(C#N)c1 461972009 NTGORHGMYDETIA-CHWSQXEVSA-N 298.411 3.943 30 20 CHED CC[C@]1(C)CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 467452685 BREFOCRVAOWGLI-OAHLLOKOSA-N 291.782 3.866 30 20 CHED CCCC[C@H](CC)C(=O)N[C@@](C)(C#N)C(C)(C)C 464295818 CHDYOJPHLMSWAG-WFASDCNBSA-N 252.402 3.647 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCC=C(c2ccccc2)C1 284735501 AUMBPCOIWFGJSW-LJQANCHMSA-N 299.414 3.531 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC)CC(CC)CC 466366133 CTCIIUOYEUGVIK-AWEZNQCLSA-N 254.418 3.809 30 20 CHED N#Cc1cc(F)cc(OCc2cccc(OC(F)F)c2)c1 558038082 TWUUQPXFZPKMEI-UHFFFAOYSA-N 293.244 3.878 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCN(C)[C@H](c2ccccc2)C1 550796067 SRAQZAHPQDKUHH-KSZLIROESA-N 272.436 3.766 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 474570597 QLACPXREBMTNSI-HOTGVXAUSA-N 286.419 3.767 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCC2(CCC2)C1 472116799 BEUGNWZPTBPOAB-CQSZACIVSA-N 264.413 3.707 30 20 CHED CC#CC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 801175059 CWRKORDYSPOBLR-MRXNPFEDSA-N 275.779 3.711 30 20 CHED CC1(C)C(CNc2ncc(C#N)cc2Cl)C1(C)C 1163158520 AHUGNTPJBGXRSB-UHFFFAOYSA-N 263.772 3.701 30 20 CHED N#CCCCC(=O)NC1(c2cccc(Cl)c2)CCCC1 291435198 YHIRYRLEQTYTEL-UHFFFAOYSA-N 290.794 3.919 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CCc2cc(Cl)ccc21 803482297 SIUIVMNGRKCHHO-CYBMUJFWSA-N 277.751 3.810 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](c1ccccc1)C(C)C 472733320 HQHKNQPSWMBZKI-DLBZAZTESA-N 261.409 3.643 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 292831681 PDVGKXYGRCESMH-AWEZNQCLSA-N 275.367 3.744 30 20 CHED CC(C)CON=C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 807978851 FKQRYLASVVJZDW-ZIAGYGMSSA-N 298.427 3.680 30 20 CHED Cc1c(Br)ccc(NC(=O)CCCC#N)c1F 292256249 KJHUTVMWIHOQAL-UHFFFAOYSA-N 299.143 3.529 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1c(F)cccc1Cl 807945924 VZIFCADUDMEHAY-UHFFFAOYSA-N 299.136 3.759 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnn(CCC)c1C1CC1 293740841 IWWWPJZXUNDCFO-UHFFFAOYSA-N 289.423 3.503 30 20 CHED C=C(Cl)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 297939920 AGIHQPIRPVLAIH-CHWSQXEVSA-N 272.175 3.512 30 20 CHED C=CCC[C@@H](CC)NC[C@](C)(CO)Cc1ccccc1 477844039 HUSBMJJQXKXKTC-QZTJIDSGSA-N 275.436 3.562 30 20 CHED Cc1cc(N(C)[C@H](C)c2ccc(F)cc2)cc(C#N)n1 561112593 PICFMJJIQGBCFM-GFCCVEGCSA-N 269.323 3.598 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1nc2ccccc2n1C 805890027 YEIIPUQRDRPNOC-CYBMUJFWSA-N 299.374 3.652 30 20 CHED CCN(CC)c1ccc(/C=N/CCSC(C)C)c(O)c1 804597576 AXXWZKHUYKDHNI-SFQUDFHCSA-N 294.464 3.799 30 20 CHED CCc1ccc(C2=CCN(c3cccnc3C#N)CC2)cc1 562235844 ZUQJVFOBUYYTQF-UHFFFAOYSA-N 289.382 3.809 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 294332033 KUMVMGYDKRZAEJ-XPKDYRNWSA-N 270.376 3.562 30 20 CHED CCCC[C@H](CC)C(=O)OCCCC1(C#N)CCOCC1 800138712 MNYWCTJLJSUMOF-HNNXBMFYSA-N 295.423 3.847 30 20 CHED C=CCCCCCCNC(=O)C[C@@H]1CCC[C@@H](OC)C1 805218332 WTLFTMBHHUJDCU-HZPDHXFCSA-N 281.440 3.834 30 20 CHED Cc1csc(-c2ccc(NC(=O)CCCC#N)cc2)n1 291653859 INXHBIOWXWPMEB-UHFFFAOYSA-N 285.372 3.751 30 20 CHED CC(=O)c1ccc(Oc2nc(Cl)c(C#N)s2)cc1 804315585 KPCMUNFMWCHGLL-UHFFFAOYSA-N 278.720 3.663 30 20 CHED C=CCCCCCCNC(=O)N(C)CCC1CCOCC1 806003793 BETBMDKJPPJMLV-UHFFFAOYSA-N 296.455 3.581 30 20 CHED Cc1cc(CN(C2CC2)[C@@H](C)C(C)C)ccc1C#N 486735997 KYDULKZETCNJHT-AWEZNQCLSA-N 256.393 3.876 30 20 CHED Cc1ccc(C[C@@H]2CCCN2c2ccc(C#N)c(C)n2)cc1 488057420 NBNVABLLCMNDLC-SFHVURJKSA-N 291.398 3.782 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)o1)C(C)(C)c1ccccc1 814117916 OKVJVJDTMVCTLW-MRXNPFEDSA-N 296.370 3.637 30 20 CHED C=CCCCC[C@H](C)NCc1ccc2c(c1)OCCO2 560924314 HQCJTSVKJROFLE-AWEZNQCLSA-N 275.392 3.682 30 20 CHED CCC[C@H](CC)NC(=O)c1ccccc1SCC#N 813428082 SGEVFVIMGUMXTR-LBPRGKRZSA-N 276.405 3.611 30 20 CHED Cc1cc(Cl)cc(C)c1CN(C)CC(C)(C)C#N 560569576 HBBLHGXUCYAIAR-UHFFFAOYSA-N 264.800 3.938 30 20 CHED CCC[C@@H](N=c1ccc(Cl)c(C#N)[nH]1)c1ccccc1 486429663 CZMGADIGQREJGZ-CQSZACIVSA-N 285.778 3.982 30 20 CHED COc1ccc2c(c1)CCCCN2Cc1ccc(C#N)s1 811508330 MEXVDFBBRZGCKZ-UHFFFAOYSA-N 298.411 3.971 30 20 CHED Cc1ccnc(NN=Cc2cscc2C(F)(F)F)c1 811643742 JKQYFGOKENGOSK-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CC(C)[C@@H]1CC(=NNc2ncnc3sccc23)CS1 814767851 XZBABHYGZKSDNM-NSHDSACASA-N 292.433 3.621 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N[C@]1(C)CCOC1=O 813296414 UPFCBUKOHUYESB-RHSMWYFYSA-N 297.439 3.585 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CC=CCC1)c1cc(C(F)(F)F)ccn1 813211703 ORNGEYQRWHLFIO-ZYHUDNBSSA-N 294.276 3.633 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@@H](CC)C1)c1ccccc1 489720171 UGNCLLMRCIKMGE-WBVHZDCISA-N 271.404 3.995 30 20 CHED C=CCCn1cc(CN(C2CC2)[C@H](C)c2ccccc2)nn1 653574955 ZVVIFCXUAVIMAZ-OAHLLOKOSA-N 296.418 3.580 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 815080082 GDIYQSSWVVXCOF-CQSZACIVSA-N 297.320 3.571 30 20 CHED C#Cc1ccccc1CC(=O)NCc1ccc2ccccc2c1 810066687 OODFBDJBYYKGGX-UHFFFAOYSA-N 299.373 3.680 30 20 CHED CC#CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 571119176 FRVSSHXRLFETLQ-NWDGAFQWSA-N 296.197 3.579 30 20 CHED CC(=NOC/C=C\Cl)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 811669298 CWJLKTLFINMYLX-VOIKQMGGSA-N 296.754 3.918 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccc(O)c(Cl)c2)cc1 815851947 AAMMMXLAGIFRIH-UHFFFAOYSA-N 299.757 3.598 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(C#N)s1 487768955 DNUYTBRDHUDNSO-JQWIXIFHSA-N 276.405 3.564 30 20 CHED N#CCC[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CCC1)c1ccccc1 573915310 DPIDWONTJIYAHQ-GVDBMIGSSA-N 297.402 3.519 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2cc(C)ccc2OC)no1 579170840 UXSWHLPYZUAUNZ-KRWDZBQOSA-N 286.375 3.831 30 20 CHED C=CCCCCCSCC(=O)N1CCCC[C@H]1C 485556771 ATGBAVYPMJYTOY-CQSZACIVSA-N 269.454 3.867 30 20 CHED C=CCCC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 487959280 BKQWLQVOHDSLFG-UHFFFAOYSA-N 259.349 3.820 30 20 CHED N#Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(C(F)(F)F)c1 577924388 UFQVZOULODAFTG-CHWSQXEVSA-N 294.320 3.809 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc(F)cc1 811685018 HAUQAFXADQAWBC-TWGQIWQCSA-N 269.250 3.733 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2ccco2)CCCCC1 654021087 LGZGEBGFWQKKOJ-CYBMUJFWSA-N 261.365 3.778 30 20 CHED C[C@@H](NN=C1CCc2cccnc2CC1)c1ccccc1 817323077 HDXVJBPKIBNTSE-CQSZACIVSA-N 279.387 3.667 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(C#N)cc1Cl 811672205 SPMAGZUGZLOQCO-RNXBRRGWSA-N 269.131 3.705 30 20 CHED C=CCCCCOC(=O)c1occc1Br 811012381 JDOAHLMDFCRVBY-UHFFFAOYSA-N 273.126 3.555 30 20 CHED C=CCC(F)(F)C(=O)NC(CC(C)C)CC(C)C 815407241 MDLRCHWJLVIRKB-UHFFFAOYSA-N 261.356 3.775 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(N3CCCC3)cn2)no1 572443062 SXKAMKJZJUNVCZ-KRWDZBQOSA-N 298.390 3.586 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)c1cc(C#N)oc1C 577343349 PVWFMTHVOIGGGP-UHFFFAOYSA-N 298.342 3.808 30 20 CHED C=CCCN[C@H](C)c1ccccc1OC(F)(F)F 658117471 VGXIPUBJDGVPOJ-SNVBAGLBSA-N 259.271 3.812 30 20 CHED C#C[C@@H](NC(=O)CC1CC(F)(F)C1)c1ccc(Cl)cc1 491633662 SNASNXLYNMWJEP-CYBMUJFWSA-N 297.732 3.566 30 20 CHED Cc1cc(F)c(CN(CCC#N)CC(C)C)c(F)c1 822438642 LTGVNPVIVGDULT-UHFFFAOYSA-N 266.335 3.645 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(COC(C)(C)C)cc1 586795070 MFEZLECSTZQMEW-QGZVFWFLSA-N 288.391 3.880 30 20 CHED O=C(C#Cc1cccs1)N1CCCC[C@@H]1c1ccccc1 829335925 JYJDEMSGRQIMNI-QGZVFWFLSA-N 295.407 3.853 30 20 CHED CN(CC(C)(C)C#N)C(=O)C1CCC(c2ccccc2)CC1 497377782 ZNVZDMPWKPEAPA-UHFFFAOYSA-N 298.430 3.969 30 20 CHED CC[C@H]1CCCN1C(=S)Nc1ccc(C#N)c(Cl)c1 727701532 VZZSQKHACWXVFX-LBPRGKRZSA-N 293.823 3.783 30 20 CHED CC[C@@H](NCC[C@@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1 903265157 QRAMRZHKQKSMAB-KSZLIROESA-N 286.419 3.540 30 20 CHED C#CCSCc1nc(-c2c(Cl)cccc2Cl)no1 904306631 JYZBZJLYRMFCAO-UHFFFAOYSA-N 299.182 3.910 30 20 CHED CC[C@@H](NCCCC(F)(F)F)c1cccc(C#N)c1 902825767 BHXUKEVPNUPEAL-CYBMUJFWSA-N 270.298 3.941 30 20 CHED Cc1ccc(C=NNc2ncnc3sccc23)cc1F 731486049 BKNVPXNDKMJZJR-UHFFFAOYSA-N 286.335 3.585 30 20 CHED CCCN(Cc1ccc(OC)cc1)c1ccc(C#N)c(C)n1 589860731 OSLHBCDFWRCDBZ-UHFFFAOYSA-N 295.386 3.687 30 20 CHED CC#CCCNC(=O)c1sccc1-c1ccc(C)cc1 499052487 GWUASQFOTGRBOX-UHFFFAOYSA-N 283.396 3.867 30 20 CHED Cc1cc(=N[C@@H](C)c2cccc(OC(C)C)c2)cc(C#N)[nH]1 587248455 ZYSOGOCNWREVFQ-AWEZNQCLSA-N 295.386 3.644 30 20 CHED CC(C)(C)[C@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1 583435610 QDBPNTVDIBFDSP-CZUORRHYSA-N 287.382 3.946 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](CC)c1nc(C)cs1 494889847 CUUMDLRTZOKQHD-STQMWFEESA-N 293.436 3.653 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)CCCCCC#N 588156814 BTAZBSSOLLJTPY-MRXNPFEDSA-N 270.376 3.573 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)O[C@H]1CCC[C@H](C#N)C1 839060295 ZRPMPSUYGSBQGQ-AXFHLTTASA-N 277.286 3.591 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(CC)c(Cl)c1 490775973 YZFOQBCNRRYUAQ-SECBINFHSA-N 252.745 3.598 30 20 CHED C=CCC1(N[C@@H](CC)C[C@H](C)CC)CCOCC1 668551569 QVIQKXGODYFYCK-CABCVRRESA-N 253.430 3.916 30 20 CHED C=CC(C)(C)COC(=O)Cc1cccc(C(F)F)c1 835723204 QKSOXYBBLHMHLR-UHFFFAOYSA-N 268.303 3.922 30 20 CHED CCOc1cccc(-c2ccc(F)c(C[C@@H](C#N)CO)c2)c1 904797449 XFDRWCAJRQPDRU-ZDUSSCGKSA-N 299.345 3.566 30 20 CHED N#CC1(CCCCOc2ccc3cncnc3c2)CCC1 902727627 YMXKICJATCXWJT-UHFFFAOYSA-N 281.359 3.873 30 20 CHED C[C@@H](CCC1CCCCC1)/N=C/c1ccc(O)c(O)c1O 734303396 NEDBFAFUOIUTKH-HWQJWEFDSA-N 291.391 3.971 30 20 CHED CC[C@]1(C)Oc2ccc(NC(=O)C#CC(C)(C)C)cc2O1 837570468 ZUEAKDGLBJLZMZ-QGZVFWFLSA-N 287.359 3.572 30 20 CHED CC(C)N(Cc1cccc(F)c1)C(=O)C#CC(C)(C)C 837363486 XMHNAPDSNUWLIV-UHFFFAOYSA-N 275.367 3.612 30 20 CHED C#CC(C)(C)NC(=O)CSc1ccc(C(C)(C)C)cc1 733978712 RWDYSPLZMMGLFW-UHFFFAOYSA-N 289.444 3.604 30 20 CHED O[C@@H]1CCCC[C@H]1NN=Cc1ccccc1-c1ccccc1 901339898 XPZZCWUQLFLUHK-RTBURBONSA-N 294.398 3.581 30 20 CHED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1sccc1O 588495772 UXWXYVLRACGIEX-SREVYHEPSA-N 296.351 3.536 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(CC)o2)c1 834903374 OVNWKMQRUJZSTJ-ZDUSSCGKSA-N 253.345 3.674 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(OC(F)F)cc2)c1 588476594 SJOODVSXBRYIKS-DAXSKMNVSA-N 289.281 3.888 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2coc(-c3ccccc3)n2)C1 839054797 OOHSVEYHQDFQIM-GXTWGEPZSA-N 296.326 3.581 30 20 CHED Cc1ccnc(-c2cccc(N=Cc3ccccc3O)c2)n1 734303169 GFVOMJKLJFSRPS-UHFFFAOYSA-N 289.338 3.908 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C\c1ccsc1 732020102 LVINVCRWTDUTDK-FPLPWBNLSA-N 299.395 3.643 30 20 CHED CSCC1CCC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)CC1 834968217 HVDJHVQURZTPMK-ZBVJJQAHSA-N 266.454 3.674 30 20 CHED Cc1ccc(OC(=O)CC(C)(C)C#N)c2ccccc12 839430219 JTXCRAYJGVFISX-UHFFFAOYSA-N 267.328 3.994 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](CC)[C@H](C)O)cc1 834887349 ICKPFNDQSRRACG-HEHGZKQESA-N 297.826 3.628 30 20 CHED CCCCCC(C)=NNc1nc2ccccc2n1C 915967350 HIDDJRBZTYUWTG-UHFFFAOYSA-N 258.369 3.941 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 833767481 HBJRXQOEDRPFPD-UHFFFAOYSA-N 298.386 3.868 30 20 CHED C[C@@H](C#N)N(Cc1cc(Cl)cc2cccnc12)C1CC1 595714192 OSUWVKNIANRCDW-NSHDSACASA-N 285.778 3.765 30 20 CHED C[C@]1(C#N)CCCN(CCSc2ccc(F)cc2F)C1 595426145 NJDFTAVMZLRJJJ-OAHLLOKOSA-N 296.386 3.683 30 20 CHED CCCN(Cc1c(F)cccc1Cl)C(=O)C#CC1CC1 837333447 SVZMBQDDENCDAU-UHFFFAOYSA-N 293.769 3.631 30 20 CHED N#CC1(CC(=O)N2CC[C@H]2c2ccccc2)CCCCC1 596799356 BYYSBBYEAINEPS-INIZCTEOSA-N 282.387 3.824 30 20 CHED CCCCCCCOC(=O)C[C@H]1C(=O)Nc2ccccc21 746610030 LIDTVUJIKMVLFD-CQSZACIVSA-N 289.375 3.626 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)[C@@H]1c1ccncc1 596589796 AWOKIMCULOUZBS-QGZVFWFLSA-N 295.361 3.675 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(-c2ccco2)s1 590038436 WNVFUSGAKNQJAH-UHFFFAOYSA-N 286.356 3.550 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N(C1CC1)[C@H](C)C#N 598132160 GDXJFOBCNYLPBJ-LSDHHAIUSA-N 284.403 3.548 30 20 CHED N#CC1(CC(=O)NCc2cc3ccccc3[nH]2)CCCCC1 596993362 NTUHZGSDXRCVEE-UHFFFAOYSA-N 295.386 3.648 30 20 CHED CC[C@H](OCCN1CCC[C@](C)(C#N)C1)c1ccccc1 593023647 YKTDYTMSVMRYRJ-ZWKOTPCHSA-N 286.419 3.780 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1cccc(C(C)C)c1 917307993 BQFCUUVHTAVDGD-ZDUSSCGKSA-N 262.349 3.697 30 20 CHED N#CCC[C@@H](NC(=O)NC1CC2(CCC2)C1)c1ccccc1 593382444 MHUBWXLOKGMQRS-MRXNPFEDSA-N 297.402 3.663 30 20 CHED Cn1ccc(C=NN=C2c3ccccc3-c3ccccc32)c1 749857631 DIKRANKUQCECIH-UHFFFAOYSA-N 285.350 3.877 30 20 CHED C#CC[C@@H](NC1CCC(F)(F)CC1)c1ccccc1 842857335 QJRKNZQXLQXUJX-OAHLLOKOSA-N 263.331 3.919 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)/C=C/c1ccccc1 917405034 ZBHHHSWEEYDYRK-MDZDMXLPSA-N 293.370 3.767 30 20 CHED c1ccc(-c2nnc(NN=C3CCC[C@H]4C[C@@H]34)s2)cc1 841639845 DUZIBQMEQJSVDK-NWDGAFQWSA-N 284.388 3.793 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1ccc(F)c(F)c1 748235214 ZAKRXZWHDZZUQM-JTQLQIEISA-N 254.276 3.925 30 20 CHED CCC(CC)(C(=O)OCCCCC#N)c1ccccc1 744138705 BETGVIASRJKAJJ-UHFFFAOYSA-N 273.376 3.981 30 20 CHED CC(Cc1nc2ccccc2s1)=NNC1CCCC1 749157795 JQCBHHMFRLOMBG-UHFFFAOYSA-N 273.405 3.747 30 20 CHED CCc1ccc([C@H]2CCCN(C(=O)[C@H](C#N)CC)C2)cc1 593704582 OOCVAFSJMBSSOR-RDJZCZTQSA-N 284.403 3.505 30 20 CHED C[C@@H](NCCCC#N)c1ccc(F)cc1C(F)(F)F 599046209 VVDYOUABYLXEST-SECBINFHSA-N 274.261 3.799 30 20 CHED C=CCC1(C(=O)Nc2cc3cc(OC)ccc3[nH]2)CCC1 683906657 CHFIFHXLNMZAMA-UHFFFAOYSA-N 284.359 3.861 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cc(Cl)nc(C2CC2)c1 847730058 GIXFPXHAVSQPKI-SNVBAGLBSA-N 277.751 3.571 30 20 CHED N#Cc1cccnc1N1CCC[C@@H](c2ccc(F)c(F)c2)C1 599115897 APRICXAXXZVWSM-CQSZACIVSA-N 299.324 3.615 30 20 CHED C=CC[C@H](NC(=O)N(CC(C)C)C(C)C)c1ccncc1 741409468 MCRVFLDWVMMJGE-INIZCTEOSA-N 289.423 3.775 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Oc2cccc(OCC#N)c2)C[C@H]1C 841344065 NWSIVPFESUGJKO-MGPQQGTHSA-N 287.359 3.567 30 20 CHED C/C(=C/C(=O)N[C@@H](C#N)CC(C)C)c1cccc(Cl)c1 749956076 WAPUMSRVLXAXTR-LDCOFTPGSA-N 290.794 3.798 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](CC)CC1CCCCC1 594090888 XQSRUFNHLBZOSV-CABCVRRESA-N 264.413 3.744 30 20 CHED CC(C)(C)OC(=O)N[C@@H]1CCCC(=NOC2CCCC2)C1 848406475 DXZOHABDOJDVOO-GFCCVEGCSA-N 296.411 3.769 30 20 CHED CCCCCCCCCC(=O)N1CCCN(CC)CC1 748850608 GDHIZPYCZCEBFI-UHFFFAOYSA-N 282.472 3.681 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1csc2ccccc12 845447550 DOAAHTYJBBWJHG-MNOVXSKESA-N 272.373 3.628 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(C#N)cc1 747062310 WRKRZVTTXJJNTR-UHFFFAOYSA-N 294.314 3.611 30 20 CHED C=CCN(C(=O)NCc1c(C)cc(C)cc1C)C(C)C 746966981 VSVAIRKSTXDNRV-UHFFFAOYSA-N 274.408 3.718 30 20 CHED C=CC[C@H](C(=O)N(C)Cc1ccc(C)cn1)c1ccccc1 682770370 YEGBKESPNNSTLN-SFHVURJKSA-N 294.398 3.708 30 20 CHED CC[C@H](COC(=O)c1ccc(F)c(C#N)c1)CC(F)F 849774284 PRESXOSPJIEAMU-VIFPVBQESA-N 285.265 3.536 30 20 CHED C=C(C)CNC(=O)c1ccccc1SCc1ccco1 681743782 PUMSLOAFVOKGRB-UHFFFAOYSA-N 287.384 3.878 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)CCc1cncs1 851141529 BAQPOEGKQYHJOC-JSGCOSHPSA-N 279.405 3.754 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)CCC3CCC3)[nH]c12 750712054 JIWACEQFSWCSAS-CYBMUJFWSA-N 281.359 3.628 30 20 CHED C#CCCCC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 758257649 PIOBLXGWCYMPLM-UHFFFAOYSA-N 295.304 3.614 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1ccc(C)cn1 851141782 DBYJPLMEQUSMDX-DZGCQCFKSA-N 259.349 3.682 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H]2CCC[C@@H]21 685547175 RKJVMMVNHIEIAU-HOCLYGCPSA-N 294.402 3.510 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cccc(Cl)c1)OCC 756468155 AJMINLQRXLFIEX-CQSZACIVSA-N 282.767 3.755 30 20 CHED C=C(C)CCOC(=O)c1scc(C)c1Br 753980177 ZZUDQRMNQDVZLG-UHFFFAOYSA-N 289.194 3.942 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)c2ccc(F)cc2F)c1 752152994 TYMIFTAPZSJNEK-OVNPTBDBSA-N 291.297 3.859 30 20 CHED Cc1cc(Cl)cc(C)c1/C=C1\CCn2nccc2C1=O 853009854 RBGWPNNUNNWEJA-FMIVXFBMSA-N 286.762 3.823 30 20 CHED Cc1cc(NN=Cc2c(C)oc3ccccc23)nc(C)n1 758108128 QRELIBSWYWENOU-UHFFFAOYSA-N 280.331 3.594 30 20 CHED CC1(C)CCC[C@@H](C(=O)Oc2ccc(C#N)cc2F)C1 756661465 BNWHBOODCUAEMQ-GFCCVEGCSA-N 275.323 3.819 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@H]1CC(C)C)c1ccccc1 757065549 VJHMKIKXLVHONY-ZWKOTPCHSA-N 298.430 3.971 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)NCC1CCCCC1 853784103 YARAYFBPTISBQV-NSHDSACASA-N 275.845 3.557 30 20 CHED C#CC[C@@H](OC(=O)c1cc(Cl)cs1)c1ccccn1 759464537 UMEWMLPFXGHWPR-GFCCVEGCSA-N 291.759 3.718 30 20 CHED C=CCCONC(=O)c1cccn1[C@H](C)Cc1ccccc1 856034274 KDNXBCBLQYDYOP-OAHLLOKOSA-N 298.386 3.529 30 20 CHED C#CC[C@H](NC(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1 757003902 RGWYIXFWCXDDAF-PVAVHDDUSA-N 284.403 3.629 30 20 CHED CCCCCC[C@H](C)C(=O)N1CCC[C@](C)(C#N)C1 753164194 OHWHQQRZKSDELB-GOEBONIOSA-N 264.413 3.745 30 20 CHED C=C(C)CCN1CCO[C@@H](c2ccc(Cl)s2)C1 1342949412 LIQFZNDTNJCOBX-LLVKDONJSA-N 271.813 3.741 30 20 CHED C=CCN(C(=O)Nc1cc(C(F)(F)F)ccn1)C(C)C 765345745 SOEHKFIAHWEPLY-UHFFFAOYSA-N 287.285 3.529 30 20 CHED C#CCCCCCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 762067598 DTYNSVRVBOMVTN-UHFFFAOYSA-N 299.330 3.689 30 20 CHED Cc1ccc(C(=O)OCCCC(C)(C)C#N)c(F)c1F 869681786 ZPRCEJKPCKQPAO-UHFFFAOYSA-N 281.302 3.760 30 20 CHED C[C@H]1CC(=NNc2ncc(F)cn2)C[C@H](c2ccccc2)C1 760264336 AVLWLUNYJPIMTK-TZMCWYRMSA-N 298.365 3.987 30 20 CHED C=C[C@@H](Cc1nc([C@@]2(C)CCCO2)no1)c1ccccc1 763341674 YALOLMKAQDIYNG-SUMWQHHRSA-N 284.359 3.608 30 20 CHED C#CC[C@@H](CCOC)NC(=O)CC(C)(C)C1CCCCC1 863781879 REOXEUYWRHNKED-INIZCTEOSA-N 293.451 3.528 30 20 CHED CCC1(C)CCC(=NNc2ccc(C(=O)O)cn2)CC1 763372111 SOBULMBIINQORP-UHFFFAOYSA-N 275.352 3.538 30 20 CHED N#CCCCCOC(=O)c1ccc2sccc2c1 761187704 XWEKICHZCGGQBB-UHFFFAOYSA-N 259.330 3.752 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)OCc1ccc(F)cc1C#N 769173940 CTYSXOUMHGDJIP-NWDGAFQWSA-N 275.323 3.567 30 20 CHED C#C[C@H](NCc1ccc(-c2ccsc2)cc1)[C@H]1CCCO1 769787926 FCPFDZNFPJZWIE-ZWKOTPCHSA-N 297.423 3.686 30 20 CHED CCC(C#N)(CC)C(=O)OCCOc1ccc(Cl)cc1 860193880 PWWLESWKSVFUKQ-UHFFFAOYSA-N 295.766 3.592 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc(C#N)cc1F 769744679 PBVHYQIXLIYDNU-SNAWJCMRSA-N 287.315 3.664 30 20 CHED C#CCCCCCC(=O)N[C@H](Cc1ccccc1)C1CC1 779917848 SRSSTRZNEJSQOZ-GOSISDBHSA-N 283.415 3.708 30 20 CHED C[C@H](OC(=O)[C@@H]1CCc2c(Cl)cccc21)C(C)(C)C#N 776099408 PVOMNSSSVRPUSS-GXFFZTMASA-N 291.778 3.851 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccs2)cc1F 776725728 DJNYRHNFFVBYOA-AATRIKPKSA-N 257.289 3.655 30 20 CHED C#C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 877541547 PXZXLOSQFQDHFR-HUUCEWRRSA-N 277.795 3.562 30 20 CHED C#CCOc1ccc(CNc2cccc3ncccc23)cc1 770511095 LCFDQNAXCFQVCP-UHFFFAOYSA-N 288.350 3.859 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)OC2CCCCC2)C1 1118782373 RXIVGWWEISIIOC-GJZGRUSLSA-N 279.424 3.539 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccccc2F)cc1F 776725717 DDPKOMQVDJLBJW-FPLPWBNLSA-N 269.250 3.733 30 20 CHED C=CC[C@H](N[C@@H]1C[C@H](OC)C1(CC)CC)c1ccncc1 776157070 NPFZBZXDMJPAQC-BBWFWOEESA-N 288.435 3.882 30 20 CHED C=CCCC[C@@H](C)NC(=S)N[C@@H](C)c1ccccc1 776203660 RJOIYVMZANQYMI-KGLIPLIRSA-N 276.449 3.957 30 20 CHED C[C@@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 772744805 GTFPNNYFSKBIDB-CQSZACIVSA-N 279.339 3.600 30 20 CHED CC(C)(CC(=O)[C@H](C#N)c1ccccn1)c1ccc(F)cc1 870136750 RBQRPMAZMVWPKI-OAHLLOKOSA-N 296.345 3.765 30 20 CHED Cc1cccc(-c2nnc(-c3cccc(C#N)c3)o2)c1C 1117261110 ISSVYGFAEIJIJF-UHFFFAOYSA-N 275.311 3.892 30 20 CHED CCC(CC)CNN=C(C)c1sc(C)nc1C 774478842 RXPJLLMWPJEITA-UHFFFAOYSA-N 253.415 3.510 30 20 CHED CCC(=NNc1ccc2[nH]ncc2c1)c1ccc(C#N)cc1 773079637 OEENITFKDQPGDN-UHFFFAOYSA-N 289.342 3.661 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc(F)c(C#N)c1)C2=O 770573597 RLLGJFNGFUMJAS-VGOFMYFVSA-N 277.298 3.828 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)c1ccc(C)cc1 779902329 PXSQJGNOUDYZRB-UHFFFAOYSA-N 285.431 3.973 30 20 CHED C#CCCCCC(=O)n1ccccc1=NC1CCCCC1 775613914 ZCSYMFXPNNUCFR-UHFFFAOYSA-N 284.403 3.555 30 20 CHED CCCC(=CC(=O)[C@H](C#N)c1cc(C)nc(C)n1)CCC 771258955 NTGVZLHAOVYPQP-OAHLLOKOSA-N 285.391 3.796 30 20 CHED CC(=NNc1c(F)cccc1F)c1cnccc1C 771559201 FQFCPAWKXNSNQE-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C#CCCCCCC(=O)N[C@@H](CC)Cc1ccccc1 779900880 BTBHWYKLGAZCKU-KRWDZBQOSA-N 271.404 3.708 30 20 CHED Cc1ccc(C)c(OCCCON=C2CCCOCC2)c1 778601320 AJQLLRSVSONRGY-UHFFFAOYSA-N 291.391 3.645 30 20 CHED CCC1(CC)C(=NNc2ccc3[nH]ncc3c2)C[C@@H]1OC 779815939 HLTZSEUMQWZVBV-HNNXBMFYSA-N 286.379 3.556 30 20 CHED Cc1ccc(N2CCS[C@H](c3ccccc3)C2)c(C#N)n1 882126328 ZPCHQYQDWMGDCC-KRWDZBQOSA-N 295.411 3.556 30 20 CHED Cc1ccncc1[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 770745075 DKCAFZZCAOBCDL-CABCVRRESA-N 295.386 3.532 30 20 CHED CC(C)(C)c1ccnc(NCc2ccc(OCC#N)cc2)c1 881911197 MFTOGLJOLPAMKD-UHFFFAOYSA-N 295.386 3.894 30 20 CHED C=CCCOCCCCC(=O)Nc1c[nH]c2ccccc12 888113240 DMLLDKOZZPLPMH-UHFFFAOYSA-N 286.375 3.869 30 20 CHED C[C@H](OC(=O)[C@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 885668173 TUFFYGQFNMVCJW-BBRMVZONSA-N 299.370 3.512 30 20 CHED C#CCn1ccc(CN(CC)CC[C@@H]2CCC[C@@H](C)C2)n1 789328509 ARLQQSUUOFPZCC-SJORKVTESA-N 287.451 3.555 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@H]1CCNc2ccccc21 1122077834 RGOSTNPMIVQQPG-AWEZNQCLSA-N 286.419 3.837 30 20 CHED C[C@@H]1C(=NNc2cc(Cl)ccn2)CCC[C@H]1C 781124549 IWUZMXBVIBHUDR-ZJUUUORDSA-N 251.761 3.959 30 20 CHED C=CCN(C(=O)Nc1cnccc1C(F)(F)F)C(C)C 880972385 ZAKKTVALKYJSHX-UHFFFAOYSA-N 287.285 3.529 30 20 CHED C=C[C@@H](C(=O)N1CC2(CCC2)[C@@H]1C1CC1)c1ccccc1 1123787865 PTXVHZCKPQTLNL-SJORKVTESA-N 281.399 3.747 30 20 CHED CCS[C@@H](C(=O)OCc1cc(F)ccc1C#N)C(C)C 785826103 QSWXDXVWMPSUEG-CQSZACIVSA-N 295.379 3.518 30 20 CHED COc1ccc(O)c(/C=N/Cc2cccc3cc[nH]c23)c1 786027499 KFBMIHSTEABAAF-WOJGMQOQSA-N 280.327 3.501 30 20 CHED Cc1cc(C=NNCCC(C)(C)C)c(C)n1C1CC1 782907181 JNWVXEUUMLGDHZ-UHFFFAOYSA-N 261.413 3.800 30 20 CHED C=CCOc1cccnc1C(=O)OCc1ccccc1CC 782299778 VTLBXHPYMRSJTE-UHFFFAOYSA-N 297.354 3.566 30 20 CHED C=C1CC(c2noc([C@H](C)c3cccc(OC)c3)n2)C1 896883882 HLUPOXGWVYWWKX-LLVKDONJSA-N 270.332 3.664 30 20 CHED CC/C(C)=C(/C)C(=O)N(CCC#N)CCC(C)C 780930886 UADHARWZLMZERI-YPKPFQOOSA-N 250.386 3.521 30 20 CHED CCO[C@@H]1CC(=NNc2ccnc(F)c2)C12CCCCC2 781127787 QBHYPMCVDQDGNK-CQSZACIVSA-N 291.370 3.748 30 20 CHED C=C[C@@](C)(CC)C(=O)OCCCOCc1ccccc1 785767309 FZWYWDRYVMJZRB-KRWDZBQOSA-N 276.376 3.739 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccsc1Cl 387382840 HXOTWQCTCSRKOM-UHFFFAOYSA-N 256.758 3.670 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(SC2CCCC2)cc1 789844108 JHSORKUNHFPQPN-GFCCVEGCSA-N 288.416 3.865 30 20 CHED CC(C)(C#N)CCCN1CCc2cc(F)ccc2C1 91896274 JZCFGOWVAYWHGD-UHFFFAOYSA-N 260.356 3.514 30 20 CHED C[C@@H](c1cccc(F)c1)c1noc(C2(C#N)CCCC2)n1 897079112 VKSCZBPCKTXUII-NSHDSACASA-N 285.322 3.696 30 20 CHED C=CCN(C(=O)Nc1ccccc1Br)C1CC1 271341181 HIJZGNOTSSOCML-UHFFFAOYSA-N 295.180 3.631 30 20 CHED C#CCCCCCCNCC(C)(C)C1CCOCC1 897446385 SVZQPQKGAXUPMJ-UHFFFAOYSA-N 265.441 3.613 30 20 CHED C=C1CC(c2noc([C@H]3CCO[C@H](CCC)C3)n2)C1 896883914 MQGKKOZUEJRXBB-WCQYABFASA-N 262.353 3.566 30 20 CHED N#CCCCNCc1ccc(OCc2ccccc2)cc1 273002675 ALHOMBKVDUIZGL-UHFFFAOYSA-N 280.371 3.659 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1cc(F)cc(C#N)c1 720281658 HMTWNESWPMRCME-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1c(C(=O)Nc2cc(C#N)ccc2F)ccn1C(C)C 891455692 KHYKHKDVNWKREW-UHFFFAOYSA-N 285.322 3.641 30 20 CHED C[C@H](NN=Cc1c[nH]nc1-c1ccccc1F)C(C)(C)C 793116398 XLQHXMVELJPJRU-NSHDSACASA-N 288.370 3.574 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1ncccc1C 790187214 SZNGLFGNVDBWRL-UHFFFAOYSA-N 269.348 3.516 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1ccc(F)c(Cl)c1 796462783 HIUFGPQYTGZXKB-UHFFFAOYSA-N 298.741 3.807 30 20 CHED C=C(C)COC(=O)c1ccc(-c2csc(C)n2)cc1 799518042 YPFHKAFXMBYYLA-UHFFFAOYSA-N 273.357 3.851 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2coc(C)n2)cc1 795021788 YCAADBMBDPIZAN-INIZCTEOSA-N 283.331 3.528 30 20 CHED CC(C)(C)c1cnc(/C=C/C(=O)c2cccnc2)s1 790598533 ODXFTBFGIVQDJL-VOTSOKGWSA-N 272.373 3.732 30 20 CHED Cc1cccnc1NN=C(Cc1ccccc1)C(F)F 790186581 QPGDIIRJHSHBQU-UHFFFAOYSA-N 275.302 3.666 30 20 CHED CSc1ccc(C=NN[C@H](C)C(C)(C)C)cc1 793115705 SSTYCUHPQKYOFX-LLVKDONJSA-N 250.411 3.767 30 20 CHED CCN(C)c1ccc(/C=C/C(=O)c2ccc(F)cc2C)cn1 790219109 GRNFHHHKLXSLMC-WEVVVXLNSA-N 298.361 3.881 30 20 CHED C=CCC1(C(=O)NCc2ccccc2N(C)CC)CCC1 790594991 TXINXNLNMNXBGF-UHFFFAOYSA-N 286.419 3.505 30 20 CHED C[C@H](CN(C)Cc1cccc(C#N)c1)c1ccccc1 66854048 HKGGWZMLNAOYOW-OAHLLOKOSA-N 264.372 3.794 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(-n2ccnc2)cc1 796462799 IALVMXZDGBLEHU-UHFFFAOYSA-N 284.359 3.518 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H]1CCCC(F)(F)C1 799973374 MPTFOFQLOIKGIX-CYBMUJFWSA-N 293.313 3.735 30 20 CHED N#Cc1ccc(OCCCCCCCO)c(Cl)c1 742450925 JDWQIRRYYXWKTA-UHFFFAOYSA-N 267.756 3.533 30 20 CHED C[C@@H](C#N)CNCc1ccccc1-c1ccccc1 757908637 STFZKLWQTOAPMI-AWEZNQCLSA-N 250.345 3.603 30 20 CHED C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)C1CCCCC1 94591894 DYJJUTOIORFZPJ-NSHDSACASA-N 273.336 3.847 30 20 CHED CCCC1CCC(N(C)c2ncccc2C#N)CC1 1163217529 OJLMDTJWIUABSH-UHFFFAOYSA-N 257.381 3.748 30 20 CHED C=CCCCCSCc1cn(C)nc1C(F)F 1325404180 DEYMHQIFRTZSQZ-UHFFFAOYSA-N 260.353 3.947 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1ccnc(C)n1 1324564964 XPBBVXNTRXTMLH-UHFFFAOYSA-N 295.264 3.607 30 20 CHED C=C[C@H](COC)Nc1cnc2cc(Cl)c(Cl)cc2n1 1320295220 WIBFBMLDGHFNFI-MRVPVSSYSA-N 298.173 3.550 30 20 CHED C[C@H](COc1ccccc1F)Nc1cccc(F)c1C#N 1322279941 PPRNNJYMZVGTAK-LLVKDONJSA-N 288.297 3.716 30 20 CHED C=C(C)COc1cccc(NC(=O)c2c[nH]nc2CCC)c1 1325744210 ORZMBGQGDRAQSI-UHFFFAOYSA-N 299.374 3.569 30 20 CHED Cc1c(Cl)cnc(NC[C@@H]2CC[C@H](C)C2)c1C#N 1186345085 VYDRMSCQDGNCGA-GXSJLCMTSA-N 263.772 3.763 30 20 CHED C=CCC(F)(F)c1nnc(CCCc2ccccc2)o1 1257742149 CHFMHMPUIMMSRT-UHFFFAOYSA-N 278.302 3.913 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCSC(C)(C)C)n1 1334118444 FKIYNKKRLQLZEJ-UHFFFAOYSA-N 291.420 3.512 30 20 CHED C=CCc1cc(-c2nnc(C(C)C)o2)cc(OC)c1OC 1257648163 UMHPYDMSQNTQMK-UHFFFAOYSA-N 288.347 3.606 30 20 CHED COc1cccc([C@@H]2CCCN2c2cc(C)cc(C#N)n2)c1 1336671561 AMZLAPDSPNZJLI-KRWDZBQOSA-N 293.370 3.612 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc(Cl)sc1Cl 1339068018 SURRVABHZFLGSF-ZETCQYMHSA-N 291.203 3.819 30 20 CHED CC(C)c1nc(C=NNCCCc2ccccc2)cs1 1338577451 JCMKXTVZYJIHIV-UHFFFAOYSA-N 287.432 3.823 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCCc1c[nH]c2ccccc12 1262813375 WEYMWEGEVKNXOZ-HNNXBMFYSA-N 297.402 3.641 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCNc3ccccc32)CCCC1 1340756616 XUAUIUDYLHKGDQ-HNNXBMFYSA-N 298.430 3.981 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCCC1(F)F 1348312398 GKFVLIWOSMTEDE-LBPRGKRZSA-N 261.356 3.899 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCCC[C@@H]1O 103531982 UDPNRBKLMQWDAA-GJZGRUSLSA-N 269.429 3.547 30 20 CHED C=CCCCOC(=O)Cc1cccc(Cl)c1F 810603819 FSKLAGASTXIYNM-UHFFFAOYSA-N 256.704 3.531 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)cs1 1528980490 OQTJIEUTYUOMEZ-KGLIPLIRSA-N 290.432 3.956 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCSC1 224458324 KKVJUDBPTWDFNQ-VIFPVBQESA-N 286.322 3.742 30 20 CHED CC(C)[C@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1 1537977176 PCAGOPVTZXPRFT-SFHVURJKSA-N 292.382 3.555 30 20 CHED N#Cc1cccc(NCc2ccnc3ccccc23)c1 111788381 WEDPMGPXJOSBAK-UHFFFAOYSA-N 259.312 3.719 30 20 CHED CC[C@H](F)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 1460376262 GUMMABXYWBECSR-SBMIAAHKSA-N 294.395 3.992 30 20 CHED C=C(C)c1cccc(NC(=O)c2oc(C(=O)O)cc2C)c1 1602772223 OXRMFLOIXZVDDQ-UHFFFAOYSA-N 285.299 3.572 30 20 CHED CSc1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)co1 1531847303 RXPAMZMOSLLYFL-UHFFFAOYSA-N 292.747 3.779 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(C(=O)O)cs2)cc1C 1607768149 KJUVZWMVQGJLIU-WAYWQWQTSA-N 286.352 3.959 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)c1cc2ccccc2o1 1617776754 UDSYSYFOSBIYCZ-TZMCWYRMSA-N 284.359 3.687 30 20 CHED N#Cc1nccc(N2CCC[C@@H]2CCC2CCCCC2)n1 1639642938 PRHMUCOZBWWBAY-OAHLLOKOSA-N 284.407 3.678 30 20 CHED N#Cc1ccc(CSCc2ccc3c(c2)OCO3)s1 1643872911 OFRWZPCVLLCDEK-UHFFFAOYSA-N 289.381 3.782 30 20 CHED C[C@@H]1CCC[C@@H](Nc2c(C#N)cccc2C#N)[C@@H]1C 1641982210 ALZZYMVIZPOEIH-LALPHHSUSA-N 253.349 3.667 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)Cc1cccc(C#N)c1 1583878362 SWUWVRLEFQUJKQ-MSOLQXFVSA-N 298.430 3.823 30 20 CHED CCCCCCCNC(=O)c1ccnc(Cl)c1F 862358110 UTQADIHPQVPZOI-UHFFFAOYSA-N 272.751 3.574 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1cc(F)cc(C#N)c1 1596856322 PTVCGLOYMVJHFK-UHFFFAOYSA-N 297.333 3.777 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cc(F)cc(C#N)c1 1596856100 MRSISENZTKSWEL-SNVBAGLBSA-N 262.328 3.708 30 20 CHED CC1(C)CCC[C@@H](C=NNc2ccc(C(=O)O)cc2)C1 1776013370 UPFFAORPTUOSMH-GFCCVEGCSA-N 274.364 3.999 30 20 CHED CC(C)(C)[C@H]1CCC1=NNc1ccc(F)c(C(=O)O)c1 1776063145 CKFNJBGSXYOKTC-NSHDSACASA-N 278.327 3.748 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@H]2c2ccccc2)cc1F 1776075243 WTHLHMNPVLOBCP-ZDUSSCGKSA-N 298.317 3.869 30 20 CHED C[C@@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)C[C@H]1C 1776074954 DSAHGJVHHPHZNL-NXEZZACHSA-N 278.327 3.748 30 20 CHED C=CC[C@@H](CC(C)C)C(=O)N(C)c1ccccc1C(=O)O 1776150991 INXBEZZCTVNQDN-ZDUSSCGKSA-N 289.375 3.586 30 20 CHED CC(C)Cc1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1 18078356 OZJAADJZAVKHRK-UHFFFAOYSA-N 292.382 3.938 30 20 CHED CC(C)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 158731522 VOUKXRBUBKJJOU-UHFFFAOYSA-N 294.398 3.977 30 20 CHED C=CCN(C)Cn1c(=S)n(C(F)F)c2ccccc21 155001915 FFTXWXCAWWIPSF-UHFFFAOYSA-N 283.347 3.643 30 20 CHED CCOc1ccccc1NCc1ccc(C#N)cc1OC 157754717 VKJZYXHOQFUWAB-UHFFFAOYSA-N 282.343 3.578 30 20 CHED N#Cc1ccccc1CNc1cc(Cl)ccc1F 35083726 VNDVLTSSRWOUDJ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2ccc(C#N)nc2)CC1 149419588 NQSSMAJGJGZSMA-CYBMUJFWSA-N 257.381 3.606 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CCCO1 154040591 ZBFLCEGRFPLQBA-ZANVPECISA-N 284.281 3.556 30 20 CHED C=C(C)CN(CC)Cc1ccccc1Br 508757383 DMEQJBFQKLOIJV-UHFFFAOYSA-N 268.198 3.847 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccccc1F 168753959 ZOZYRYABYTXLNY-QGZVFWFLSA-N 268.335 3.938 30 20 CHED N#Cc1ccccc1CN1CCC[C@@H]2CCCC[C@@H]21 35174412 UYSNYJJDDTUHGI-YOEHRIQHSA-N 254.377 3.713 30 20 CHED C[C@@H](Cc1ccccc1Cl)NCc1cccc(C#N)c1 36936251 PXNRXMNUTYPNBG-ZDUSSCGKSA-N 284.790 3.932 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc(F)c(Cl)cc1Cl 700579289 BTLINXQCAMBCFB-MRVPVSSYSA-N 288.149 3.664 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C)cc(C)c2)c1 308143993 WPYKFIWOZVHKLL-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CC[C@H]1CCCC[C@@H]1Nc1ncc(C#N)cc1Cl 608885334 WDUMCUUAUQMCLU-AAEUAGOBSA-N 263.772 3.987 30 20 CHED CC[C@@H](CC#N)/N=C(/O)c1cscc1Br 330595158 BLAVSAVABWTYIT-ZETCQYMHSA-N 287.182 3.507 30 20 CHED CCC(CC)CC(=O)Nc1ccc(C#N)cc1Cl 430371980 RBVQGFIFXQCSQF-UHFFFAOYSA-N 264.756 3.976 30 20 CHED CC(C)[C@@H]1CCCCN1c1nccc(C#N)c1Cl 342412751 KLBUNKABRUNTAS-LBPRGKRZSA-N 263.772 3.622 30 20 CHED C[C@H](CN[C@@H](C)c1cccc(C#N)c1)CC(F)(F)F 396906606 FOIODULAULXIBF-QWRGUYRKSA-N 270.298 3.797 30 20 CHED CC(=NNCc1ccccc1)[C@H](C)c1ccccc1 746369346 WWTFOOAMJFQVDU-AWEZNQCLSA-N 252.361 3.956 30 20 CHED N#Cc1ccc(OCc2cc(F)ccc2F)cc1F 113649775 SOGDIZZIPHMMOE-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC(C)CCOCCN(Cc1ccc(C#N)cc1)C(C)C 58396962 IFDZQRUTWZSFCL-UHFFFAOYSA-N 288.435 3.831 30 20 CHED C[C@H](c1ccco1)N(C(=O)c1ccc(C#N)cc1)C1CC1 56181527 FNYHNIAMTXNATQ-GFCCVEGCSA-N 280.327 3.517 30 20 CHED Cc1cc2cc(NC(=O)N(CCC#N)CC3CC3)ccc2[nH]1 176978422 IALYAFGVECICSI-UHFFFAOYSA-N 296.374 3.634 30 20 CHED COc1ccc(OC)c(CSc2ccccc2C#N)c1 172679922 SGQIBTODVKHWIX-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(SC(F)F)cc1 116854117 BVUBEOIHRDUNTJ-VIFPVBQESA-N 271.332 3.696 30 20 CHED C#CCCCCC(=O)Nc1nc2c(C)cccc2s1 179659838 DUBHDOAJGCQQMH-UHFFFAOYSA-N 272.373 3.737 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2cccs2)c1 113961786 SMUCKCBNNOUNAD-CQSZACIVSA-N 286.400 3.719 30 20 CHED N#Cc1csc(CN[C@H]2CCCOc3ccccc32)c1 177693542 NEQXGNWSQAJGTP-HNNXBMFYSA-N 284.384 3.623 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@@H](C#N)C1CCCCC1 176634630 XQVSJRASBZRNRG-BBRMVZONSA-N 276.424 3.791 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(F)c(Cl)c1 177863740 JIYBTZHNMJBNFG-UHFFFAOYSA-N 273.760 3.727 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C 179640846 LILALAZVMTVZIR-PBHICJAKSA-N 284.403 3.694 30 20 CHED C=CCCCSCc1nnc(-c2ccccc2OC)o1 173828587 BDQCWSFUGGKRKW-UHFFFAOYSA-N 290.388 3.945 30 20 CHED Cn1ccnc1-c1cccc(NCc2ccc(C#N)cc2)c1 119976907 QFOQZYXVGHPXLX-UHFFFAOYSA-N 288.354 3.571 30 20 CHED N#Cc1cccc(C#N)c1Oc1cccc(F)c1F 302875414 FKBVDXARWBASQW-UHFFFAOYSA-N 256.211 3.500 30 20 CHED CC[C@H](CSc1ccccc1)Nc1ccc(C#N)nc1 301781711 SEYMUUJWJYCTAO-CYBMUJFWSA-N 283.400 3.936 30 20 CHED CC[C@@H](c1ccccc1)S(=O)(=O)CCCC(C)(C)C#N 178169122 NSNNTKVVXOEOLF-HNNXBMFYSA-N 293.432 3.882 30 20 CHED COc1cc(/C=C2/Cc3ccc(C)cc3C2=O)ccc1O 170985753 JNVORPJDIJZHJF-ZSOIEALJSA-N 280.323 3.532 30 20 CHED C=CCCNc1ccccc1C(=O)NCc1ccc(C)cc1 303928926 WUYYUGHUQCBNKH-UHFFFAOYSA-N 294.398 3.913 30 20 CHED C=C(C)CCC(=O)NCc1nc2ccccc2n1C(C)C 1262609675 VOVXUTUTCJDQNJ-UHFFFAOYSA-N 285.391 3.590 30 20 CHED CCCN(CC#N)C(=O)CSc1ccc2ccccc2c1 60541889 JSQIDLFIOKLAPI-UHFFFAOYSA-N 298.411 3.694 30 20 CHED C=C(C)COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 176659047 YNMNOXCVWVKBGB-AWEZNQCLSA-N 286.331 3.543 30 20 CHED CC(C)CC[C@@H]1CCCCN1C(=O)NCCCCC#N 178164560 GOPCOBCHWSZWJI-HNNXBMFYSA-N 279.428 3.681 30 20 CHED N#Cc1ccc(CNCC2(c3ccccc3)CCC2)s1 176945370 KJNNBEHXYFWOPV-UHFFFAOYSA-N 282.412 3.831 30 20 CHED CC1(C)CCCN(C(=O)c2cccc(SCC#N)c2)C1 176051098 PYWOMPTXMVRSLX-UHFFFAOYSA-N 288.416 3.564 30 20 CHED Cc1ccccc1N/C(N)=N/C[C@@H](c1cccnc1)C(C)C 177290274 AJDATIWCUJVPJL-MRXNPFEDSA-N 296.418 3.556 30 20 CHED CCN(C(=O)[C@@H](C)C1CC1)[C@H](C)c1ccc(C#N)cc1 178418135 QQVFETBVMFXYPF-QWHCGFSZSA-N 270.376 3.514 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccco1 123062695 WEICCEGRIQOIAC-UHFFFAOYSA-N 254.333 3.563 30 20 CHED C=CCCCC(=O)NCc1cccc(COC(C)(C)C)c1 175517218 YRXKIHOIEBOALL-UHFFFAOYSA-N 289.419 3.974 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CC)c1ccc(C)cc1 172079998 RBZYCXURZWMURQ-HIFRSBDPSA-N 260.381 3.710 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCOc2c(F)cccc21 302644536 IXPHMKGCZFUEOE-HNNXBMFYSA-N 286.281 3.772 30 20 CHED C[C@@H]1CCC[C@@H](C)N(c2nc(C(F)(F)F)ccc2C#N)C1 301437860 SNDBAORQIJKKCM-GHMZBOCLSA-N 297.324 3.987 30 20 CHED CC[C@@H](C#N)Sc1ncnc2sc3c(c12)CCC3 127100891 ONTODROYRUNFJV-QMMMGPOBSA-N 275.402 3.574 30 20 CHED Cc1cc(NCCCCC#N)c(Cl)cc1[N+](=O)[O-] 301428765 FCTNRCUYTJQJPS-UHFFFAOYSA-N 267.716 3.662 30 20 CHED N#Cc1nc(NC[C@H]2CCOc3ccccc32)ccc1Cl 301179282 OQIMIKWTMJDJIT-LLVKDONJSA-N 299.761 3.585 30 20 CHED COC(=O)c1cccc(N[C@H](C)c2cccc(C#N)c2)c1 37251457 NSVRJEGZCLKJCB-GFCCVEGCSA-N 280.327 3.518 30 20 CHED CCc1cccc(N/C(N)=N/Cc2ccc(Cl)cc2)c1 303700812 HUOMMXUPSSIRKR-UHFFFAOYSA-N 287.794 3.829 30 20 CHED CCCN(Cc1ccccc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 77321931 VJPMJZUJFQUZNS-KSZLIROESA-N 298.430 3.584 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 354760178 IUWNEEQTXFEKEQ-JMSVASOKSA-N 271.364 3.504 30 20 CHED N#Cc1cccc(NC(=O)c2ccccc2OCC2CC2)c1 124114429 AIHBTAGZPZBYJL-UHFFFAOYSA-N 292.338 3.599 30 20 CHED CCN(CCC#N)C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 126184853 PVFMVFUCOQMKNE-HNNXBMFYSA-N 286.419 3.751 30 20 CHED N#CCCCN[C@@H](c1ccccc1F)C1CCCC1 181500260 WYEYXSUFRSRGKQ-MRXNPFEDSA-N 260.356 3.950 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1Sc1ccc(Cl)cc1 70789432 XRAXOCZHEZGNDV-UHFFFAOYSA-N 291.719 3.666 30 20 CHED C[C@H](NCc1nc(C2CC2)cs1)c1cccc(C#N)c1 182023777 LLHJVCHNIVXFRP-NSHDSACASA-N 283.400 3.743 30 20 CHED N#Cc1ccc(CN2CCCC3(CCCC3)C2)c(F)c1 438362844 YQYVIWUTPWXVAK-UHFFFAOYSA-N 272.367 3.854 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(c2cccc(F)c2)CC1 182600955 LTRYHAQXWIWVPW-ZDUSSCGKSA-N 275.367 3.718 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NCCCSCC#N 72515878 FSGBOAIHIDLILG-ZIAGYGMSSA-N 268.470 3.828 30 20 CHED CSCc1cccc(CNCC(C)(C)CCC#N)c1 189486658 KAAKFVHTOSXLSZ-UHFFFAOYSA-N 276.449 3.969 30 20 CHED N#Cc1ncccc1NCc1c(Cl)cccc1Cl 519572507 OIDVQQLCYVXLHS-UHFFFAOYSA-N 278.142 3.872 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2CCCc3sccc32)cc1 126087000 KIBKXRWXGGYJMY-HNNXBMFYSA-N 297.379 3.783 30 20 CHED Cc1oc2ccc(NC(=O)NCCCCC#N)cc2c1C 186498694 ZJVMEOHVIIDIDZ-UHFFFAOYSA-N 285.347 3.865 30 20 CHED C=CCSCCN[C@H]1CC2(CCC2)Oc2ccccc21 180459775 ASVQASICHDJLLR-HNNXBMFYSA-N 289.444 3.942 30 20 CHED CCN(Cc1cccc(Cl)c1)C[C@@H](C#N)CCC#N 79823620 IFZIFKFTAGYJFY-CQSZACIVSA-N 275.783 3.605 30 20 CHED C=CC[C@H](C)N[C@@H](c1ccccc1)c1ccc(F)cn1 183771601 MBFLUIIFYBFIPJ-GUYCJALGSA-N 270.351 3.864 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(OCCC)cc1 124352918 WDLOPBZLLWHBTC-UHFFFAOYSA-N 287.403 3.860 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc2cc(C)ccc2s1 410835252 NCABTJQXWGCVLU-CYBMUJFWSA-N 286.400 3.974 30 20 CHED CN(C(=O)c1cccc(Cl)c1F)c1cccc(C#N)c1 123528465 SVVGYHTUMOVVJL-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=CC(C)(C)CNc1cc(C(F)(F)F)cnc1C#N 413307230 ACPIFLKZJBWNOR-UHFFFAOYSA-N 269.270 3.596 30 20 CHED C#CCCCCC(=O)Oc1ccc(Br)c(F)c1 120390754 BISOAADABTXLKU-UHFFFAOYSA-N 299.139 3.687 30 20 CHED CC[C@H](CC#N)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 184091494 MNBTXBGRPIUOED-GFCCVEGCSA-N 299.330 3.637 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@]1(C)CC=CCC1 448824002 QGTJBVQWPCUJNH-MRXNPFEDSA-N 254.333 3.552 30 20 CHED Cc1nn(C(C)C)cc1CNc1ccc(Cl)c(C#N)c1 281874880 MPGFBCGJKFZVPY-UHFFFAOYSA-N 288.782 3.910 30 20 CHED CC[C@@H](Nc1snc(Cl)c1C#N)c1ccncc1 78306124 LEFSTJCAJACGHM-SNVBAGLBSA-N 278.768 3.626 30 20 CHED Cc1cc(NCc2cccc(C#N)c2)c(F)cc1[N+](=O)[O-] 314102734 HFWSIJSDTOQCOZ-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C=CCC[C@H](C(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 188389372 PKQACYSURCOHLP-RDJZCZTQSA-N 284.403 3.745 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 413977938 BCONOUIXRZRZPZ-JJRVBVJISA-N 281.440 3.546 30 20 CHED COc1ccc2oc([C@H](C)NCCCC#N)c(C)c2c1 184087573 CRZWNRJQWGYHKB-LBPRGKRZSA-N 272.348 3.704 30 20 CHED CC(C)CC[S@](=O)CCC1(C#N)CCCCC1 414230660 BFSYHWBXTRROSC-KRWDZBQOSA-N 255.427 3.645 30 20 CHED CCCCCCCCCCn1ccc(=O)c([N+](=O)[O-])c1 130858790 RGVFKBUTEMPQSP-UHFFFAOYSA-N 280.368 3.897 30 20 CHED Cc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1C 41545680 MJIQXYFKDQZEHW-CQSZACIVSA-N 290.322 3.935 30 20 CHED C[C@H](C#N)CN(C)Cc1c(Cl)cccc1Cl 42324822 ZGDXFMADIPKNTQ-SECBINFHSA-N 257.164 3.585 30 20 CHED C=CCOc1ccc(CN[C@@H](C)CCCCN)cc1Cl 415010212 GBQNPJVRPNTNHU-ZDUSSCGKSA-N 296.842 3.512 30 20 CHED Cc1c(C(=O)[C@@H](C#N)c2ccccn2)oc2c(F)cccc12 41493380 VCKKPRBXRVCVQX-LBPRGKRZSA-N 294.285 3.765 30 20 CHED Cc1ncc(CN[C@H](CCC#N)c2ccccc2)s1 130434546 HSLLHXYDGOZMQA-OAHLLOKOSA-N 271.389 3.586 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)ccc1Cl 505314826 RAGRCUDEEFHSFL-IUODEOHRSA-N 290.794 3.910 30 20 CHED CCCCOc1ccccc1CNCC1(C#N)CCC1 418139872 IIRBWFGPOTXQMM-UHFFFAOYSA-N 272.392 3.649 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(C)cc1C 502582163 RBBJRARDPCKBIK-CVEARBPZSA-N 289.419 3.804 30 20 CHED C=CCC1(C(=O)Nc2cnn([C@H](C)C3CC3)c2)CCC1 190513532 NRPJJAPRXCUCRZ-GFCCVEGCSA-N 273.380 3.539 30 20 CHED OC(=Nc1cccc2ocnc12)C1[C@@H]2CCCC[C@@H]12 328902000 ZUPOJBFTWCFRGQ-NXEZZACHSA-N 256.305 3.852 30 20 CHED C#CCCCC(=O)Nc1nc(-c2ccc(C)s2)cs1 192085859 VPOZRFFZUQWBEN-UHFFFAOYSA-N 290.413 3.922 30 20 CHED C=CCCCCCN1CCC[C@@H](c2nncn2C(C)C)C1 193438538 ONXAMPLQHGAYEV-MRXNPFEDSA-N 290.455 3.785 30 20 CHED C[C@@H]1CCC[C@H](C/N=C(/O)c2ncoc2C2CC2)C1 328863221 VVTAVBGDXPUTDL-MNOVXSKESA-N 262.353 3.683 30 20 CHED Cc1ccc(/C=C2/COc3ccccc3C2=O)cc1C 48501942 SJFZQQBSSOEMSF-GDNBJRDFSA-N 264.324 3.962 30 20 CHED C=CCCC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 425119491 NBSIEGOTUVSLDJ-OAHLLOKOSA-N 257.377 3.952 30 20 CHED C=CCC[C@@H](C)NCc1nc2cc(Cl)ccc2n1C 427882005 LEZUMDIOUHTFSL-LLVKDONJSA-N 277.799 3.671 30 20 CHED COc1cccc(/C=C/C(=O)c2ccsc2)c1F 195502905 JAUXTIHOTLHYJX-AATRIKPKSA-N 262.305 3.792 30 20 CHED N#CCCCSCc1noc(-c2ccc(Cl)cc2)n1 190915826 OWPVAVDMXIHMEW-UHFFFAOYSA-N 293.779 3.927 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccncc2)CC1 191603733 SDBOSPWEDDEAMS-HNNXBMFYSA-N 291.398 3.894 30 20 CHED C=CCCCN[C@@H](C)CCc1c(F)cccc1F 510996752 UJIAVDYXFOONOH-LBPRGKRZSA-N 253.336 3.842 30 20 CHED C#CCCCC(=O)Nc1cc(-c2ccncc2)ccc1C 192103453 XPFPZEQYDUVNPR-UHFFFAOYSA-N 278.355 3.799 30 20 CHED CC[C@@H](c1ccccc1)N(CC)Cc1ccc(C#N)cn1 519600066 AKASENLCZIFZRD-SFHVURJKSA-N 279.387 3.926 30 20 CHED C=C(Br)CNC1CCC2(CCCC2)CC1 161371171 NHQGQPGVQXEMBT-UHFFFAOYSA-N 272.230 3.988 30 20 CHED Cc1ccc(C[C@H]2CCCN2CCCSCC#N)cc1 80628755 XFOHNDCCLGXEAN-QGZVFWFLSA-N 288.460 3.649 30 20 CHED C=CC[C@H](C)[C@@H](C)NC1CCC(OC(C)C)CC1 90771938 WPEXZQLOIZFZMU-QRNKSROTSA-N 253.430 3.913 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCC1)c1ccccc1C(F)(F)F 332461151 JCGMZKKPRIHZAQ-SNVBAGLBSA-N 296.292 3.576 30 20 CHED N#CC1(C(=O)Nc2cccc(-c3nccs3)c2)CCCC1 336609522 HDKYYKSNGRYKQS-UHFFFAOYSA-N 297.383 3.833 30 20 CHED C=CCCCC(=O)Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 191727583 VRXFLNUXRNSRBR-WMLDXEAASA-N 284.403 3.970 30 20 CHED C[C@H]1CN(C(=O)c2cccc(SCC#N)c2)C(C)(C)C1 335768763 WSIUKJIUPGOOSP-GFCCVEGCSA-N 288.416 3.563 30 20 CHED COCC(C)(C)CN[C@@H]1CCCCc2cc(C#N)ccc21 426312392 QDHZCWHQFFTZME-QGZVFWFLSA-N 286.419 3.588 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1cc(F)ccc1O 94616867 QUTMMUIBWGDLFA-NSHDSACASA-N 286.306 3.607 30 20 CHED C[C@H](N[C@@H](C)c1ccc(F)cn1)c1cccc(C#N)c1 92765987 MPIDQOQCGNIAJS-RYUDHWBXSA-N 269.323 3.504 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OC(F)(F)F 424325975 LLJBXLZDRHKYET-SDDRHHMPSA-N 298.308 3.928 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cc(Cl)cc3cccnc23)C1 335286578 WJNDMMKQSVVDMN-XHDPSFHLSA-N 285.778 3.670 30 20 CHED Cc1ccc(C[S@@](=O)CCC(C)(C)C#N)c(Cl)c1 518074346 YXYNJPABBYMILK-SFHVURJKSA-N 283.824 3.837 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCCc2sccc21 337805228 JMRSISKCOXRTLT-OAHLLOKOSA-N 296.395 3.736 30 20 CHED N#CCCCOc1cccc(CNC[C@@H]2CC=CCC2)c1 237819943 HKXBSMUJQLQVJJ-MRXNPFEDSA-N 284.403 3.815 30 20 CHED CCC(C#N)(CC)c1nc(Cc2cccc(C)c2)no1 528093586 RJFCEQHKXOMWDB-UHFFFAOYSA-N 269.348 3.550 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CO[C@@H]1CCCC[C@@H]1C 348524891 KLKJFOQIKKVHHH-LSDHHAIUSA-N 294.439 3.513 30 20 CHED Cc1ccccc1C[C@H](NCC1(CC#N)CC1)C1CC1 342594241 KTQIQENXXORMCG-KRWDZBQOSA-N 268.404 3.600 30 20 CHED C=C(CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccccc1 340868781 DOBRCJXTWSKMEN-UHFFFAOYSA-N 279.299 3.592 30 20 CHED Cc1ccc(C#N)c(N(C)CCc2ccc(Cl)cc2)n1 346824728 GOKGAEDDJJJHOJ-UHFFFAOYSA-N 285.778 3.594 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCc1cccc(C)c1 436280973 CQKSZZDZPYFWNF-UHOSZYNNSA-N 287.447 3.887 30 20 CHED C[C@H](C#N)C(=O)Nc1c(F)cccc1Oc1ccccc1 345512433 UVACDPAZJIFEAH-LLVKDONJSA-N 284.290 3.716 30 20 CHED CCC(C#N)(CC)C(=O)N1CCc2c(C)cc(C)cc2C1 529072524 XAKZBNVGVVUOMN-UHFFFAOYSA-N 284.403 3.518 30 20 CHED N#Cc1cccc(CN2CC[C@H](c3ccccc3)C2)c1 50266839 NFEBGVHGRUCBJQ-SFHVURJKSA-N 262.356 3.548 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C 529234711 VTSVZVUDUUHQKV-IHRRRGAJSA-N 264.413 3.505 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCCC[C@H]1C 606917497 XFOWTWNVYUZMDB-CABCVRRESA-N 266.429 3.953 30 20 CHED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC[C@@H](C)CCC#N 602554581 BNAZEJKTDYUPPI-ZENOOKHLSA-N 294.826 3.945 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1ccc(Cl)cc1 602505022 PHQRZEBYUMQLKW-RYUDHWBXSA-N 250.773 3.930 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@H](C#N)c2ccccc2Cl)C1 246741090 UXQHYUVENXKMFV-TYNCELHUSA-N 290.794 3.847 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2ccncc2OC)cc1 438465571 BVBGAPQZYJIRKC-CQSZACIVSA-N 298.386 3.506 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)CCc1ccc(C#N)cc1)C1CC1 609189837 CFGXAVPWJDZULY-HUUCEWRRSA-N 298.430 3.916 30 20 CHED Cc1cocc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 528487524 DOGDFAHJVXAHQE-MRXNPFEDSA-N 296.370 3.880 30 20 CHED COc1ccccc1/C(C)=C\C(=O)O[C@H](C)C(C)(C)C#N 255588292 FBHTYVVZPZPSNL-KXXVWKPMSA-N 287.359 3.580 30 20 CHED N#CCCN(C/C=C\c1ccc(Cl)cc1)CC1CC1 255634824 SQIKJPISMYBKKD-IWQZZHSRSA-N 274.795 3.979 30 20 CHED N#Cc1cnccc1NC(=O)c1cc2ccc(F)cc2s1 609786408 ZCPAVDRKDPMPOX-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Cc1noc(C)c1C/N=C\c1cc(Cl)cc(Cl)c1O 255057527 JGORXPGATYDPHK-BNCCVWRVSA-N 299.157 3.923 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 604532914 SFZMVFHLOITBPH-WMLDXEAASA-N 299.418 3.839 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1ccccc1Cl 603766966 POIKSBMUTUBDPA-UHFFFAOYSA-N 297.851 3.998 30 20 CHED COc1ccc(CNc2cc(C(C)=O)ccc2C#N)c(F)c1 347413286 SFJXBEWKPNTQSZ-UHFFFAOYSA-N 298.317 3.521 30 20 CHED CC[C@@H](NC1CCC(C)(C#N)CC1)c1nc(C)cs1 449134475 JNFOOCRQIGUNRQ-JVWICGRDSA-N 277.437 3.965 30 20 CHED C=CCCCN(C)Cc1ccccc1OC(F)(F)F 605149731 DLKLVISKIAOXPL-UHFFFAOYSA-N 273.298 3.983 30 20 CHED CCCC(=O)Nc1cccc(N[C@H]2CC[C@H](C#N)C2)c1C 442874260 MJONCXSKXXDAPM-KBPBESRZSA-N 285.391 3.838 30 20 CHED Cc1cccc(C(C)(C)CNC[C@H](C)CCC#N)c1 602529225 AANQPBDCCSQJKW-OAHLLOKOSA-N 258.409 3.802 30 20 CHED COc1cc(NC2CCC(C)(C#N)CC2)cc(OC)c1 449046821 OERUPEJCWBLOCZ-UHFFFAOYSA-N 274.364 3.588 30 20 CHED Cc1cocc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 528710162 YNKWCYWHGRVPMV-NVXWUHKLSA-N 294.354 3.500 30 20 CHED C=CCOc1ccc(CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 448904594 RVWYDLRIIRKINR-GJZGRUSLSA-N 287.403 3.583 30 20 CHED C=CCC1(C(=O)Nc2cnc3onc(C)c3c2)CCCC1 449827997 JJZGDIDECNDSDX-UHFFFAOYSA-N 285.347 3.606 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C2CC2)c(C)c1 355900095 RWLQJTCAGAGNLS-ZDUSSCGKSA-N 273.376 3.792 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(C(=O)NCC)cc1 449075633 FQAYVUUGSNIOMR-HNNXBMFYSA-N 288.435 3.661 30 20 CHED CC(C)[C@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 443987800 LKPXDKOUYYKTAQ-AWEZNQCLSA-N 279.387 3.979 30 20 CHED C=C(CC)CN1CC[C@H](OCCCc2ccccc2)C1 539103977 HFQDOSBXNFHANS-SFHVURJKSA-N 273.420 3.676 30 20 CHED C=CCCC[C@H](C)NC(=O)C(C)(C)c1ccc(F)cc1 539435444 XTFLKBXGNWPDCH-ZDUSSCGKSA-N 277.383 3.964 30 20 CHED N#Cc1cccc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 602646455 YSCIKKCAYHJASS-WJYNOGRTSA-N 297.789 3.642 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1C 609377745 DOIJEALPMPDZKR-UTUOFQBUSA-N 274.389 3.533 30 20 CHED CC1(F)CCN(Cc2cccc(OCCCC#N)c2)CC1 602744194 XBMWAWXHKRJNOM-UHFFFAOYSA-N 290.382 3.693 30 20 CHED C=CCCCCCN(C)c1nnc(C(F)F)s1 269381133 SETFBJSVIRRVCH-UHFFFAOYSA-N 261.341 3.658 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(NC3CCCC3)c2)C1 532326992 JULNEMQERWVIFV-UHFFFAOYSA-N 297.402 3.919 30 20 CHED C[C@@H](Cc1ccc(F)cc1)N[C@@H]1CCc2cc(C#N)ccc21 618741777 IEESJPFMOUMEDC-ORAYPTAESA-N 294.373 3.905 30 20 CHED CC(C)c1ccc(C(C)(C)NCC2(C#N)CC2)cc1 611430728 IGZCECLYSOMCDY-UHFFFAOYSA-N 256.393 3.938 30 20 CHED C=CCCCc1nc(Cc2nccc3ccccc23)no1 445503265 MHMTZSLTDSCVOZ-UHFFFAOYSA-N 279.343 3.717 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)N1CCC[C@@](C)(C#N)C1 612244840 IDAQANYFLVSAJW-YOEHRIQHSA-N 276.424 3.745 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 353664989 ZVSBVDHGSAVFIC-KGLIPLIRSA-N 287.407 3.611 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1 265574287 BLUXKLNDIKVAAN-CZUORRHYSA-N 270.376 3.599 30 20 CHED C=CCC[C@H](NCc1nnsc1Cl)c1ccccc1 539360905 XVJZGSRWPXSXOE-LBPRGKRZSA-N 293.823 3.989 30 20 CHED C=CC1CCN(C(=O)c2cc(C(C)C)oc2C)CC1 352678930 YECXKOPNXUPSPQ-UHFFFAOYSA-N 261.365 3.750 30 20 CHED CC(C)Cc1ccc([C@H](C)NC(=O)[C@@]2(C#N)C[C@H]2C)cc1 448572831 KRSHUYBLKMZECO-QWQRMKEZSA-N 284.403 3.612 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@](C)(CC)C1)c1ccccc1 533990644 PJFCOGZGMVPPBT-CRAIPNDOSA-N 271.404 3.995 30 20 CHED CC(C)Oc1ccc(N[C@H](C)c2ccc(C#N)cc2)cn1 610341105 ZQCZKXYUXAYIET-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCCC[C@H]1CC 538603347 ATMVVRIJEFLWAG-RDBSUJKOSA-N 252.402 3.609 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@H]1CCc2ccccc21 610901244 PQHCTDQEWOJRDO-OAHLLOKOSA-N 290.366 3.925 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc3oc(C)nc23)C1 617779886 KFUFDDRGEFWFEA-CYBMUJFWSA-N 284.359 3.565 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(C)cc1 539389066 XWSWLUCLUPYAOR-CQSZACIVSA-N 260.381 3.539 30 20 CHED Cc1nc(C(=O)N[C@H](CCC#N)c2ccccc2)sc1C 618383715 SBRVWBCORIFXMU-CQSZACIVSA-N 299.399 3.535 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Nc1c(C)noc1C 264045146 KXCGNJZYMLIQEY-UHFFFAOYSA-N 299.374 3.554 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1cccs1 453343674 JGRJGXGZTQZSPQ-XQQFMLRXSA-N 251.395 3.522 30 20 CHED C=CCC1(CNC(=O)CCc2cncc(C)c2)CCCC1 456515651 XWNVXXYDACFSRF-UHFFFAOYSA-N 286.419 3.575 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C)cc2OC)CC1 361605977 ZDILVXHBDUBOEO-UHFFFAOYSA-N 259.349 3.689 30 20 CHED C[C@]1(CCc2ccccc2)CCN(CC2(C#N)CC2)C1 538349835 PEPNALYFRYQCNJ-KRWDZBQOSA-N 268.404 3.635 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(CSC)c1)OCC 533710066 OZNILHIAIFSUFS-HNNXBMFYSA-N 293.432 3.859 30 20 CHED Cc1cscc1NC(=O)N[C@H](C)c1cccc(C#N)c1 610973667 XVZBSADWGJJESO-LLVKDONJSA-N 285.372 3.811 30 20 CHED C=C(C)CCN[C@@H](C)c1cc(Cl)c(OC)cc1OC 453321537 PXWFLMDRJNNQAJ-NSHDSACASA-N 283.799 3.974 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 276321476 WUZMIZCNDHSGDW-AWEZNQCLSA-N 274.408 3.570 30 20 CHED C=CCC1(NC(=O)CCc2c(C)noc2Cl)CCCC1 619104745 UYGJAKTVLYGFAQ-UHFFFAOYSA-N 296.798 3.574 30 20 CHED C=CCN(C(=O)Nc1sc(CCC)nc1C)C1CC1 362803136 XNTLKKCERDJLFI-UHFFFAOYSA-N 279.409 3.586 30 20 CHED C[C@@H](CCc1ccc(O)cc1)Nc1cccc(OCC#N)c1 274388627 UWKBNXSUQZGTNE-AWEZNQCLSA-N 296.370 3.728 30 20 CHED N#C[C@H]1CCC[C@H](NCc2c(F)cccc2OC(F)F)C1 274237578 VBGHOGTVNLEAGB-QWRGUYRKSA-N 298.308 3.599 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1cscc1C 272495863 VAOOEHUBFBPMSE-UHFFFAOYSA-N 290.388 3.912 30 20 CHED CC[C@H](c1ccccc1OC)N(C)CC1(C#N)CCC1 451030158 MWLQOYMIAHNALG-OAHLLOKOSA-N 272.392 3.772 30 20 CHED C=CCSc1ccccc1C(=O)N(C)CC1CCC1 362397808 STROADNOKKGWSY-UHFFFAOYSA-N 275.417 3.837 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCCC1(F)F 458909588 CBEIRPXNCSMXSG-QWHCGFSZSA-N 286.366 3.562 30 20 CHED CCOc1ccc(CN(CC2(C#N)CCC2)C(C)C)cc1 450308658 NKZGHTQEWYVFLG-UHFFFAOYSA-N 286.419 3.990 30 20 CHED N#Cc1ccc(S[C@H]2CCc3ccc(F)cc32)nc1 360394839 HHBJAKCXLSMVMT-AWEZNQCLSA-N 270.332 3.872 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 452144776 HBNCBEHSKWFAGN-HZPDHXFCSA-N 284.403 3.578 30 20 CHED CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)n[nH]1 277375033 XHMNEFLTSXKOMR-YNEHKIRRSA-N 297.406 3.602 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn(C2CCCCC2)c1C 272583462 BGWPMSAFMWBHGS-UHFFFAOYSA-N 289.423 3.735 30 20 CHED C=C[C@H](CC(=O)NC[C@@H](CCC)OCC)c1ccccc1 628344580 DMMBXYLXQAVAIV-NVXWUHKLSA-N 289.419 3.668 30 20 CHED N#CCCCCN1CC[C@](F)(c2cc(F)cc(F)c2)C1 375284219 LTEODSQAIBCXCU-OAHLLOKOSA-N 282.309 3.529 30 20 CHED FC1(F)CCCN(CC#Cc2ccc(Cl)cc2)CC1 625767430 ASSJDJJXRSZEKH-UHFFFAOYSA-N 283.749 3.813 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1cc(F)ccc1C#N 469172015 IJTQYHYLVCDYJB-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc2ccc(O)cc12 276243621 OIQDNXHCEFVODG-GOSISDBHSA-N 299.370 3.713 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C1 464164405 ZXVXBVOXJWBFPG-LMOYCYGVSA-N 264.413 3.503 30 20 CHED C[C@H]1CCN(C[C@@H](C#N)CCC#N)CC12CCCCC2 373410701 AKEZDNIGIODSHJ-JKSUJKDBSA-N 273.424 3.722 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1sccc1C 281103648 QIWJWQUIKUXPAE-RWMBFGLXSA-N 263.406 3.631 30 20 CHED C=CCSCCN[C@@H]1CCC[C@@H](c2ncccc2C)C1 467337629 DOBCNQBJRWXVCZ-HZPDHXFCSA-N 290.476 3.925 30 20 CHED C=C[C@](C)(CC)C(=O)NCCSCc1ccccc1F 467429346 WUESFMIMMQQUEP-MRXNPFEDSA-N 295.423 3.777 30 20 CHED CCCCCCCC(=O)N1CCC[C@](C)(OC)CC1 376596770 WWHBVJDOLHMGJY-INIZCTEOSA-N 269.429 3.765 30 20 CHED N#CCN1CCCCC[C@@H]1Cc1ccccc1Cl 555612116 RYXFRQONDQYUMO-CQSZACIVSA-N 262.784 3.651 30 20 CHED C=CC[C@H](CC)NC(=O)NC(C)(C)CC(C)(C)C 466376957 PZTPUANUBHUDBH-LBPRGKRZSA-N 254.418 3.855 30 20 CHED C=CC[C@H](CC)NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 466395221 JFHIADWLRVCPGC-CBBWQLFWSA-N 264.413 3.704 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(C2CC2)nc2ccc(C)cc12 465147719 PBSQGYRGUMVDIC-GFCCVEGCSA-N 280.371 3.725 30 20 CHED CC1=CCCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 280672515 LNUFTVOMDUQHTA-UHFFFAOYSA-N 299.374 3.529 30 20 CHED CC(C)Oc1ccc(NC(=O)C2CC(C)(C)C2)cc1C#N 556936612 RSIVRHLOCDSWNN-UHFFFAOYSA-N 286.375 3.720 30 20 CHED C=CC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 473513405 NCZKXJAAXQKKNC-UHFFFAOYSA-N 283.331 3.545 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C1CCCC1(C)C 807989673 PDEPHAPXEUKWRO-UHFFFAOYSA-N 261.325 3.881 30 20 CHED C=CCCCN[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 639117441 DFORTPFKXQCIML-IEBWSBKVSA-N 284.447 3.910 30 20 CHED CC(C)(C#N)c1ccccc1Cn1cnc2c1CCCC2 295401636 WGHLXNJKMZXSNR-UHFFFAOYSA-N 279.387 3.611 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](CC)Oc1ccccc1F 556510233 CGXRBPUIYIQFTC-ZDUSSCGKSA-N 293.382 3.702 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@H]1CCC(C)C 558448265 UDYCJXHBBXWVBY-HNNXBMFYSA-N 290.455 3.993 30 20 CHED C=CCOCCCSc1nc2ccccc2n1CC 475954746 GRQCCQLQTSIVKY-UHFFFAOYSA-N 276.405 3.741 30 20 CHED C=CCCOCC(=O)N(C(C)C)[C@H](C)c1ccsc1 643326235 BBVHJPBLRBJCCK-CYBMUJFWSA-N 281.421 3.639 30 20 CHED CCC[C@](C)(O)CNc1cc(C#N)ccc1C(F)(F)F 475425625 ZLARTMMRZYFAIA-ZDUSSCGKSA-N 286.297 3.540 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cccc([N+](=O)[O-])c1C 477747498 QEFZIOGDQDWCLW-WCQYABFASA-N 262.353 3.594 30 20 CHED CCN(C[C@H](C)C#N)C[C@H](c1ccccc1)C(C)C 474146988 ZQYBBRNIDIXRKS-WBVHZDCISA-N 258.409 3.908 30 20 CHED C=CCCCC(=O)NCCCCCc1ccccc1 479660370 KNKLHZVWNYZTKG-UHFFFAOYSA-N 259.393 3.872 30 20 CHED C=CCCCCN[C@H]1CCN([C@H](C)c2ccccc2)C1 471598639 LJRLXBPXBZQSAF-AEFFLSMTSA-N 272.436 3.768 30 20 CHED C=CCCCCNC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 474090829 UKXUTLUHHGDZSE-KFWWJZLASA-N 264.413 3.705 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Sc1ccc(C)cc1 471670634 UGHZDQBPMXVFNV-CQSZACIVSA-N 277.433 3.948 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 646453440 PWLLTEANJIQCTP-UONOGXRCSA-N 298.390 3.579 30 20 CHED CC1(C)c2ccccc2CCN1C(=O)c1ccc(C#N)s1 560974457 OTXZHYVPSZDFOH-UHFFFAOYSA-N 296.395 3.553 30 20 CHED CC(=O)c1c(Cl)cccc1N(C)CC(C)(C)C#N 641609782 INYVLAWEXSFRMH-UHFFFAOYSA-N 264.756 3.529 30 20 CHED C[C@H](CCc1ccco1)NC1(c2cccc(C#N)c2)CC1 560261856 ZSFVCHUAIXAYAK-CQSZACIVSA-N 280.371 3.751 30 20 CHED C[C@@H]1SCCC1=NOc1ccccc1C(F)(F)F 814888376 XCXCKRYSRVELIP-QMMMGPOBSA-N 275.295 3.966 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(C)nc1C 814872575 QQQMJNNDMIYWGT-UHFFFAOYSA-N 271.339 3.982 30 20 CHED CC(C)(C)C1CCC(=CC(=O)N[C@@]2(C#N)CC2(C)C)CC1 813300904 PNXXCAIYOWYSGP-XPKAQORNSA-N 288.435 3.958 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C)c1ccccc1OC 488863602 IXHBFVWDRXKORP-LSDHHAIUSA-N 287.403 3.756 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C1[C@H]2CCC[C@H]12 485644982 PQBSLEYSUTZRAH-RYUDHWBXSA-N 295.835 3.962 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2cccc(F)c2C#N)cc1 487580344 ACCAPHPIFXMEAV-LBPRGKRZSA-N 296.345 3.751 30 20 CHED CCCC(=NNc1cc(F)cc(F)c1)c1ccccn1 814813752 YAFMPJPMDPLREP-UHFFFAOYSA-N 275.302 3.976 30 20 CHED N#CCn1c(/C=C/c2ccc(F)cc2)nc2ccccc21 485988824 WFCDEILPHALJHB-JXMROGBWSA-N 277.302 3.869 30 20 CHED OCCC[C@H]1CCCCC1=NNCc1ccc(Cl)cc1 814875603 OCWRZGBSDDJBEB-CQSZACIVSA-N 294.826 3.748 30 20 CHED C[C@H](SCc1cccc(F)c1C#N)C(=O)OC(C)(C)C 488263509 NHSLKUKYAOPRAW-JTQLQIEISA-N 295.379 3.661 30 20 CHED Cc1cc(C)c(C(=O)O)cc1C=NNc1ccc(F)cc1 814693559 XWHQWYCSYJZLJD-UHFFFAOYSA-N 286.306 3.587 30 20 CHED CC(C)CSCCCN[C@@H]1CCc2ccc(C#N)cc21 576435968 DPGPYIZRJPRGFG-QGZVFWFLSA-N 288.460 3.914 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2ccc(F)cc2o1 489487012 ZQNROMHNBIIDAW-LBPRGKRZSA-N 260.312 3.507 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCC(=O)[C@H](C)C1 811589920 LUNKJKDNTCWVRV-CABCVRRESA-N 279.424 3.635 30 20 CHED C=C[C@@H]1CCCCN1CCCCC(=O)OC(C)(C)C 489488264 KUFRVVSGPLMVSH-CQSZACIVSA-N 267.413 3.539 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)n1)c1cc2ccccc2o1 810707717 XBRLPANHGLROJZ-NSHDSACASA-N 292.294 3.617 30 20 CHED Cc1cc(F)ccc1[C@@H](C)NCc1cc(C#N)ccc1F 815595376 PMMROWIEQLVDAL-GFCCVEGCSA-N 286.325 3.996 30 20 CHED C=CCC[C@H](NCc1cnn(C)c1Cl)c1ccccc1 815132347 TWOPNFNJGAXVDO-HNNXBMFYSA-N 289.810 3.871 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](C)c1ccc(F)c2ccccc12 812393555 PDXZCANVCPRFMO-CHWSQXEVSA-N 298.361 3.751 30 20 CHED C=CCC[C@@H](C(=O)N1CCCC(F)(F)C1)c1ccccc1 650315590 GFLGDLNHWSEUDQ-OAHLLOKOSA-N 293.357 3.994 30 20 CHED Cc1cc(OC(=O)c2cccc(C#N)n2)ccc1C(C)C 810523309 HSCOXABYRKRHCD-UHFFFAOYSA-N 280.327 3.604 30 20 CHED COc1cc(NN=C2CCS[C@H]2C)ccc1Cl 814919389 KOBDHSNHJFPPCN-QMMMGPOBSA-N 270.785 3.642 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CCc3c(C)cccc32)c1 729641125 CMYOTRLUKSOPAN-HDZGYNCQSA-N 281.355 3.816 30 20 CHED CC[C@@H]1C[C@H](C)CN1Cc1ccc(Cl)cc1C#N 480550108 FQUWRRGUOOZISJ-XHDPSFHLSA-N 262.784 3.832 30 20 CHED COc1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1 729148946 BSSOSXOSAWSRMB-GXDHUFHOSA-N 264.324 3.826 30 20 CHED Cc1ccc(C(=O)OCC[C@@H]2CC2(Cl)Cl)cc1C#N 820611700 XJDKWSGOUXMNFE-GFCCVEGCSA-N 298.169 3.607 30 20 CHED C=CCC(C)(C)CNC(=O)CCO[C@@H](C)CC(C)C 490084181 IFLXZEKLBFKWAX-AWEZNQCLSA-N 269.429 3.546 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C\c1ccsc1 491202266 WNWSYHIVWFQXCF-XQRVVYSFSA-N 298.367 3.670 30 20 CHED C[C@H](C#N)Oc1ccc(CNCC[C@H]2C[C@H]3CC[C@H]2C3)cc1 728711480 ARKVIVVDFMIVFE-UBDQQSCGSA-N 298.430 3.893 30 20 CHED N#CCC[C@@H](NCc1cccc(C(=O)O)c1)c1ccccc1 821320846 ZYHALTCSSXXAEV-QGZVFWFLSA-N 294.354 3.519 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 498112926 DHRFLXKSJRJQCJ-MRXNPFEDSA-N 272.392 3.664 30 20 CHED COc1cc(/C=C2/Cc3c(O)cccc3C2=O)ccc1C 588599308 PPTIFLVWLAURSY-JYRVWZFOSA-N 280.323 3.532 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@H]1c1ccc(C)cc1)C(=O)O 901692838 PRXMHLZZVDIPBK-ULQDDVLXSA-N 287.403 3.640 30 20 CHED C=C[C@H](CC)CC(=O)OCc1oc(CCC)nc1C 905738339 DRLAAWJAVAQEKZ-GFCCVEGCSA-N 265.353 3.581 30 20 CHED C=CCCCC(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 491553380 YYSAHNMLGGNAAF-CQSZACIVSA-N 296.414 3.806 30 20 CHED COC1(C(=O)OCCCCC2(C#N)CCC2)CCCCC1 909190974 UOKAOWKXFQSACC-UHFFFAOYSA-N 293.407 3.743 30 20 CHED Cc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1F 737446514 UVHCMJVRLJEZNF-PLNGDYQASA-N 259.255 3.564 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 735065145 AVFQXRXWCNNDCX-LBPRGKRZSA-N 270.376 3.986 30 20 CHED CCCC[C@@H](C)N(C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 589648471 ORHKCLZESQNBLA-CXAGYDPISA-N 299.418 3.766 30 20 CHED C[C@H](C(=O)OCc1ccc(F)cc1C#N)c1cccs1 738778728 DXQWCIJEEYBKHI-JTQLQIEISA-N 289.331 3.606 30 20 CHED CC(C)c1ccc(C=NNc2nccnc2Cl)cc1 733079354 HSXAKHZQXSDIGA-UHFFFAOYSA-N 274.755 3.699 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCCCc2cccs2)C1 660975196 YBXQZXDSUWURHU-AWEZNQCLSA-N 292.448 3.678 30 20 CHED Cc1ccc(-n2cc(N[C@@H]3CC[C@@H](C#N)C3)cn2)c(C)c1 580031606 UJVPUMIEQVHHCV-HUUCEWRRSA-N 280.375 3.593 30 20 CHED C=CCCC[C@H](NCc1ccc(C(C)C)cc1)C(=O)O 900067868 RBUSRUSJGUJDER-INIZCTEOSA-N 275.392 3.709 30 20 CHED COc1cccc(C2(CNc3cccc(F)c3C#N)CC2)c1 582937523 UDDZGPNZEBHWSL-UHFFFAOYSA-N 296.345 3.850 30 20 CHED C=C(C)CN(C)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 497832531 QCQQIPIYSNYRJL-NWDGAFQWSA-N 292.345 3.573 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCC[C@@]1(C)C(=O)O 901733868 LWSNDTOZPOSRTK-OFQRWUPVSA-N 269.429 3.968 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccccc1CC#N 839893744 XWNVJAXGTINYGT-SJORKVTESA-N 298.430 3.626 30 20 CHED Cc1ccc2c(CC(=O)O[C@H]3CCC[C@H](C#N)C3)coc2c1 839052961 CHNUSNMNQYPPDC-ZFWWWQNUSA-N 297.354 3.909 30 20 CHED C=CCn1c(S[C@@H](C)OC)nnc1-c1ccccc1C 901520788 SSRGDNSJFNLLBT-LBPRGKRZSA-N 289.404 3.524 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(CN(C)C)cc1C 909596107 IQUSEAMMXUABGP-UHFFFAOYSA-N 274.408 3.597 30 20 CHED CCS[C@@H]1CCCC[C@H]1NC(=O)CCCCCC#N 588160551 AXCPVVMIDIFQKO-ZIAGYGMSSA-N 282.453 3.641 30 20 CHED C=CCCC(=O)CSc1nnc(-c2cccc(C)c2)o1 677804981 NEEDOOHMTVBPIL-UHFFFAOYSA-N 288.372 3.672 30 20 CHED CCC(CC)CC(=O)N(CCC#N)c1ccc(F)cc1 583668146 PLKUGOMPXZALPI-UHFFFAOYSA-N 276.355 3.899 30 20 CHED CC(=NNc1cccc(Cl)c1)c1nccs1 732622202 NMGSEZBYINQHHS-UHFFFAOYSA-N 251.742 3.633 30 20 CHED CCc1nc(C)c(C(=O)Oc2cc(C)c(C#N)c(C)c2C)o1 839356718 QSSSLPOZMIWMGR-UHFFFAOYSA-N 298.342 3.562 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(Cl)ccc1SC 736963482 AZBILZKZLHMQGC-UHFFFAOYSA-N 291.203 3.936 30 20 CHED CCN(Cc1c(C)ccc2ccccc12)[C@H](C)C#N 595818190 SMRNPHGMNFZTAZ-CQSZACIVSA-N 252.361 3.882 30 20 CHED C=CCC1(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CCCC1 598874963 BRTDZHRBDXQMRB-UHFFFAOYSA-N 288.347 3.522 30 20 CHED CCCNN=Cc1ccc(-c2ccc(F)cc2)s1 915965640 MKWJPUMYXJFBRC-UHFFFAOYSA-N 262.353 3.888 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc2c(c1)COC2 742436716 NBFJJFFLMGUDHP-CMDGGOBGSA-N 264.324 3.921 30 20 CHED CC[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 743340836 LTYXEMVHKWAYLO-CYUIRQCWSA-N 298.342 3.913 30 20 CHED CC[C@H](C#N)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 594100093 CTILDFKBDJFOSF-GOSISDBHSA-N 292.382 3.657 30 20 CHED CCO[C@H]1CC(=NNCCCc2ccccc2)C12CCC2 741164524 OWXUUJSGHAWVHB-KRWDZBQOSA-N 286.419 3.544 30 20 CHED Cc1ccc(NN=C2CCC[C@H]2c2ccc(F)cc2)nn1 741164733 XYKXPGKHJJCTDW-AWEZNQCLSA-N 284.338 3.660 30 20 CHED Cc1cc(NN=Cc2ccccc2C(C)C)nc(C)n1 848403112 NVYWZTURQGGXRK-UHFFFAOYSA-N 268.364 3.663 30 20 CHED C=CCN(C(=O)Nc1cccc(OC(F)F)c1)C(C)C 916708550 ANHKAAFFGFEDKE-UHFFFAOYSA-N 284.306 3.716 30 20 CHED CCCCCCCCCNC(=O)C1(C#N)CCCC1 914607835 OFWXEQFAXJUJKP-UHFFFAOYSA-N 264.413 3.937 30 20 CHED C[C@H](NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 599614031 PRCNDMAEPGPZNF-YFPWBOGZSA-N 282.387 3.562 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1cncc(F)c1 747636156 FMFLHZMNYGTPQS-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CC(=NNc1nnc(-c2ccccc2)n1C)C1CCCCC1 915969342 QTTNFIUJWXZFMJ-UHFFFAOYSA-N 297.406 3.850 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)/C=C/CCC 840538629 QUCRXEJGQDVSLQ-ROCHPLJESA-N 257.377 3.646 30 20 CHED CCCCCCCC(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 744732540 VDAMNWJBPHGUGX-VXGBXAGGSA-N 295.345 3.525 30 20 CHED Cc1ccccc1CN(C)CCc1ccc(C#N)cc1 595288386 HJJULAXFRMFYMO-UHFFFAOYSA-N 264.372 3.541 30 20 CHED N#Cc1ccc(CCN[C@H]2CCCc3sccc32)cc1 595055981 NYVBVJPZBQLSPG-INIZCTEOSA-N 282.412 3.829 30 20 CHED C=C(C)CCOC(=O)CSc1cc(C)ccc1C 744303174 PNWOKVBRJDEERS-UHFFFAOYSA-N 264.390 3.905 30 20 CHED C[C@H]1CCc2c(F)cccc2C1=NNc1ccccn1 748244224 JZTNDFAAXIYHAY-NSHDSACASA-N 269.323 3.619 30 20 CHED Cc1cc(C)c(C#N)c(SC/C(Cl)=C/Cl)n1 746143848 MRGBTNHMGSGMMS-WTKPLQERSA-N 273.188 3.981 30 20 CHED C[C@@H]1CN(c2cccc(F)c2C#N)Cc2ccccc21 742834532 YYTCHUKHAGTTIP-GFCCVEGCSA-N 266.319 3.821 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc3occc3c2)C1 595072099 FHEBSKFLPOEGIQ-IUODEOHRSA-N 254.333 3.605 30 20 CHED CC(C)C[C@@H]1CCCCCN1C[C@H](O)CC(C)(C)C#N 598594197 ZJEPZFAELNIZTL-JKSUJKDBSA-N 280.456 3.578 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1ccccc1C 915915654 VEQMVODTFOIBCI-UHFFFAOYSA-N 264.332 3.707 30 20 CHED CC(=NNc1cnccn1)c1ccc(Cl)cc1Cl 912959171 WJOXWMKHXAWCLV-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=CCCOCc1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 680718130 RWXOHMFICZYTSB-UHFFFAOYSA-N 297.358 3.927 30 20 CHED Cc1cc(CSc2nc(C)cc(C)c2C#N)ccn1 598707900 SIKMTHJXBFZNKS-UHFFFAOYSA-N 269.373 3.566 30 20 CHED N#CC[C@@H]1CCCN(C(=O)CC/C=C\c2ccccc2)C1 597908845 CNOTZRNLFKJRDW-ASRSSLEJSA-N 282.387 3.632 30 20 CHED C[C@H](NN=C1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 743435265 AIRSGFJDDBKEHS-JGGQBBKZSA-N 272.392 3.528 30 20 CHED C=CCC[C@H](C(=O)OCc1ccn(CC)n1)c1ccccc1 844749877 TYCAYRMMVTXCHY-KRWDZBQOSA-N 298.386 3.696 30 20 CHED CN(C)Cc1ccc(-c2cccc(C3(C#N)CC3)c2)cc1 846781088 ZSOYETGGOKSDCJ-UHFFFAOYSA-N 276.383 3.970 30 20 CHED C/C(=C\C(=O)NCC1(C#N)CCC1)c1cccc(Cl)c1 841466630 DJLHOJOKGXTKBO-XYOKQWHBSA-N 288.778 3.553 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1sccc1Cl 851204061 IRURXMFGFNNBBI-MRVPVSSYSA-N 271.769 3.887 30 20 CHED O=C(/C=C/C1=Cc2ccccc2OC1)c1ccccc1O 757474118 JECQMMFUHRCDFN-MDZDMXLPSA-N 278.307 3.607 30 20 CHED C#CCCCC(=O)N[C@H]1c2ccccc2CC[C@@H]1C(C)C 759156987 OFXUOBZSJZAJSZ-VQIMIIECSA-N 283.415 3.866 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cnn(C2CCCC2)c1 925860674 JKPIQBOQJLXCDT-AWEZNQCLSA-N 288.395 3.571 30 20 CHED C=C(Cl)CSC[C@@H]1CCN(C(=O)c2ccccc2)C1 853782889 COARTEZKNPWQHU-CYBMUJFWSA-N 295.835 3.634 30 20 CHED C#CCCCC(=O)OCc1ccc(Br)cc1C 759174561 ZYQSKOWPIQHEOE-UHFFFAOYSA-N 295.176 3.604 30 20 CHED FC(F)(F)[C@H]1CCC[C@H](C=NNC2CCCC2)C1 853301513 GCTPRQLRNXDKGX-QWRGUYRKSA-N 262.319 3.873 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1ncccc1F 851141923 DZTGDQZLEAOARV-WCQYABFASA-N 263.312 3.512 30 20 CHED Clc1ccc(NN=Cc2coc(-c3ccccc3)n2)cn1 755752695 ATDBVURNOPKIPN-UHFFFAOYSA-N 298.733 3.836 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cc(C#N)ccc1F 854941726 KGZZVOUWWGZEMZ-ZFWWWQNUSA-N 288.366 3.642 30 20 CHED CCc1cnccc1C(C)=NNc1cc(F)ccc1C 853393692 PIXVCMDSUMYIIF-UHFFFAOYSA-N 271.339 3.928 30 20 CHED Cc1oncc1CSCCCOc1cccc(C#N)c1 853769208 MBMIHUGQXRMLLM-UHFFFAOYSA-N 288.372 3.557 30 20 CHED COc1ccc(NN=C(C)c2cc(C)ccc2O)cc1 750945335 FTWHYMZDGYIKAD-UHFFFAOYSA-N 270.332 3.545 30 20 CHED CCCCCCCCNC(=O)N[C@@H](C)c1cccnc1 755054288 RIVJPPMALPDIPJ-AWEZNQCLSA-N 277.412 3.802 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc(F)cc2)co1 752883088 AUPZWDVUEMGQRM-YVMONPNESA-N 259.280 3.833 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCC1(C)CC1 931027849 RBEXOCCXRHQWBT-UHFFFAOYSA-N 284.403 3.876 30 20 CHED C=C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 932040056 SKKYOFWJJBUVFX-UHFFFAOYSA-N 261.365 3.678 30 20 CHED COc1ccc(NN=C(C)CCc2ccc(O)cc2)cc1 750946419 QSQWYXKPZXGHGP-UHFFFAOYSA-N 284.359 3.821 30 20 CHED C#CCCCC(=O)N(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 760239491 YHUMUUNGGJEDPQ-JYJNAYRXSA-N 273.420 3.607 30 20 CHED CSc1ccc(C(C)=NOCC(F)(F)F)cc1F 764836376 SKSVJYZASIYRCQ-UHFFFAOYSA-N 281.274 3.851 30 20 CHED O=C(/C=C\c1cccc(-n2cccn2)c1)c1cccs1 760263997 JBWRNGYGXVIDOG-FPLPWBNLSA-N 280.352 3.830 30 20 CHED Cc1cccc(C=NNc2ccnc(Br)c2)c1 769811831 CGDSIPZLFHLFJO-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=CCN(Cc1c[nH]nc1-c1cccc(C)c1)C(C)C 768547435 MKRFVCNOJKDRAY-UHFFFAOYSA-N 269.392 3.782 30 20 CHED N#Cc1cccc([C@H]2CN(CCC3CCCCC3)CCO2)c1 761758247 FEGMZFGWBJHTDC-LJQANCHMSA-N 298.430 3.902 30 20 CHED CCC(Cc1ccc(C)cc1)=NOCC(F)(F)F 764847323 ZYPMXIRAQQZYBJ-UHFFFAOYSA-N 259.271 3.882 30 20 CHED C#CCCCN[C@@H]1CCCOc2c(Cl)cc(C)cc21 768513067 WDILDGSONBCIGW-OAHLLOKOSA-N 277.795 3.865 30 20 CHED Cc1ccccc1C=NOCc1ccc(Cl)cn1 767535803 QSZIIHNWUBNFIY-UHFFFAOYSA-N 260.724 3.594 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H]2CC23CCC3)c1C#N 760151944 INUVULHKCTYBCA-LBPRGKRZSA-N 274.389 3.619 30 20 CHED CCn1cc(C(=O)/C=C\c2cnc(C3CCC3)s2)cn1 760266697 YMJCVJFVBPLPTN-SREVYHEPSA-N 287.388 3.523 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(-c2cccs2)s1 1116543091 QWDRTZINGRDTRN-QMMMGPOBSA-N 263.343 3.545 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H](OCC2CC2)C1 779073907 QNMOXTBFMQPIPT-MRXNPFEDSA-N 281.440 3.765 30 20 CHED CCc1ccc([C@@H](C)C(=O)OCCC(C)(C)C#N)cc1 776383227 JAFZKWMUBUKKOH-CYBMUJFWSA-N 273.376 3.836 30 20 CHED COc1cc(C=NOC2CCCC2)c(SC)cc1OC 774597948 YTFYUUXHTILOCO-UHFFFAOYSA-N 295.404 3.719 30 20 CHED C=C[C@@H](COC)NCc1ccc(N(C)c2ccccc2)cc1 1116615827 OLVXCKVJSNTEIS-KRWDZBQOSA-N 296.414 3.745 30 20 CHED C#Cc1cccc(N(C)Cc2ccc3ncccc3c2)c1 770650522 VHAYEGDYKSUTOI-UHFFFAOYSA-N 272.351 3.853 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)[C@@H]1CCOC1 779825536 WYPOHOASPCRSJJ-CYBMUJFWSA-N 260.381 3.808 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)CC1CCCCC1 1116433804 KHBXSHYTURDYIW-ZFWWWQNUSA-N 264.413 3.647 30 20 CHED C=CCN(Cc1cc(Br)cc(C)c1O)C(C)C 775656661 LZVVKECQSCFUEQ-UHFFFAOYSA-N 298.224 3.860 30 20 CHED C#CCCCCCC(=O)Nc1cnc2c(cnn2C(C)C)c1 779760799 XKWHCVUGYNRZQN-UHFFFAOYSA-N 298.390 3.534 30 20 CHED CC(C)(C)c1ccc(C=NOC2CCOCC2)cc1 774445432 VRRPZFXYNQZFHT-UHFFFAOYSA-N 261.365 3.514 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 774144628 KLLZUFIJQKHUOF-MJEQTWJJSA-N 271.360 3.845 30 20 CHED FC(F)(F)CCON=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 777459756 LJZJLMHAIIRMOK-YTWAJWBKSA-N 261.287 3.768 30 20 CHED C/C(=C\C(=O)Nc1cccc(C#N)c1C)C(C)(C)C 770334543 SQUZFNAMXMFWDB-PKNBQFBNSA-N 256.349 3.798 30 20 CHED C#CCCCCCC(=O)N1CCC(C2CCCC2)CC1 779924774 FXQZICSZWORTSM-UHFFFAOYSA-N 275.436 3.999 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H](C)C(CC)CC 775948303 OVBYGNGHTOEHAI-ZDUSSCGKSA-N 273.376 3.709 30 20 CHED C#C[C@H](N[C@H](CC)c1ccc(Cl)cc1)[C@H]1CCCO1 775572885 UQJCWCVBVMUREV-OWCLPIDISA-N 277.795 3.562 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 887822852 XCFJOUZYWXKVML-GFCCVEGCSA-N 263.356 3.947 30 20 CHED C#C[C@@H](C)N(C)Cc1cc(-c2ccccc2)ccc1O 775186051 ZKUAPSDSBXBVMM-CQSZACIVSA-N 265.356 3.513 30 20 CHED C=CCCCCCN1C(=O)CN(/C=C/c2ccccc2)C1=O 783128512 ZZLIWZYVBUDOLR-WYMLVPIESA-N 298.386 3.668 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H]1CCCCC1(F)F 880158790 BQUKYEIKZLBAAP-NSHDSACASA-N 259.340 3.530 30 20 CHED CC#CCNC(=O)Nc1ccc(-c2ccccc2)cc1F 785837811 SZPBMULNYZUYRO-UHFFFAOYSA-N 282.318 3.638 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(Cl)ncc1C 1120265710 ONFZOQCPNPPDJW-UHFFFAOYSA-N 293.798 3.636 30 20 CHED CC(Cn1nc(C)cc1C)=NOC[C@H]1CCC[C@@H](C)C1 781613332 ZTYZVJOZUNSQRN-WBMJQRKESA-N 277.412 3.719 30 20 CHED C=CCSCCNc1ccc(Cl)cc1[N+](=O)[O-] 218872393 DSKQHKYFAOYWND-UHFFFAOYSA-N 272.757 3.579 30 20 CHED COc1ccc(NN=Cc2c(Cl)cccc2Cl)nc1 780267178 GYCVNMBDOKAGCW-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)NCC2CCCCCCC2)C1 784235812 JZXIDGJYUIOTKE-KRWDZBQOSA-N 291.439 3.682 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)CCc2sccc21 899352239 CLVCNDTTWNVFOL-XYOKQWHBSA-N 284.384 3.882 30 20 CHED C=C1CC(c2noc(-c3ncsc3C(F)(F)F)n2)C1 896877356 JKGKUVLLKJFCPY-UHFFFAOYSA-N 287.266 3.646 30 20 CHED C=C1CC(c2noc([C@H]3CCc4ccc(OC)cc43)n2)C1 896878345 YNUGNQVFBRUVKV-AWEZNQCLSA-N 282.343 3.590 30 20 CHED CC(C)C(C)(C)C(=O)Nc1ccccc1O[C@H](C)C#N 784153454 IVJNADAMYFLIOF-GFCCVEGCSA-N 274.364 3.598 30 20 CHED C=C(Br)CN[C@H](C)c1ccc(F)c(C)c1 389909029 IFDLGLDEOAVTEO-SNVBAGLBSA-N 272.161 3.693 30 20 CHED Cc1cccc(-c2n[nH]cc2/C=C/C(=O)c2cncs2)c1 787169066 LNPGHZNUVYHXEB-AATRIKPKSA-N 295.367 3.738 30 20 CHED CC(C)[C@H](O)C(C)(C)CNc1ccc(Cl)cc1C#N 301827249 PNUOTWUPHUXYPO-AWEZNQCLSA-N 280.799 3.667 30 20 CHED C=CCCCCCOC(=O)C[C@H]1CCC[C@H](OC)C1 796070232 VWCSWMHDAZUWLK-GJZGRUSLSA-N 268.397 3.871 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)C1 799725677 JKKCABIERXSYER-KMCQBPLKSA-N 281.403 3.779 30 20 CHED C#C[C@@H](NC(=O)CCCc1ccc2ccccc2c1)C(C)C 799044677 KRVPDNZMAAXERS-LJQANCHMSA-N 293.410 3.937 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1ccnc(O)c1 790297321 IUXJKPHHSBOQTD-UHFFFAOYSA-N 295.264 3.642 30 20 CHED CC[C@H](CC#N)NCc1ccc(Cl)nc1C(F)(F)F 797602485 RRXDBNGDOLAMSM-SECBINFHSA-N 291.704 3.536 30 20 CHED Cc1ccc2c(c1)C(=NNc1cccc(Cl)n1)CC2 793174074 IATJHDKTYHEUKV-UHFFFAOYSA-N 271.751 3.806 30 20 CHED CCSc1cccc(CNC(=O)C(C#N)(CC)CC)c1 599965924 HEDLLRAMEMUUPV-UHFFFAOYSA-N 290.432 3.745 30 20 CHED Cc1cc(C)cc(CNc2nc(Cl)c(C#N)s2)c1 693169421 QJXWWBPZTHTSNO-UHFFFAOYSA-N 277.780 3.897 30 20 CHED Cc1ccc2oc(SCCc3ccc(C#N)cc3)nc2n1 1307324362 RINBQOHWBCHXGB-UHFFFAOYSA-N 295.367 3.738 30 20 CHED Cc1ccc2c(c1)CN([C@H](C)c1cccc(C#N)c1)CC2 1307911520 CTYPMPKLTWRQGD-OAHLLOKOSA-N 276.383 3.986 30 20 CHED CCC#C[C@H](C)N[C@@H](C)c1ccc(F)cc1OC(F)F 1319812470 MSUTWIJAFYXBTL-QWRGUYRKSA-N 285.309 3.880 30 20 CHED CCOc1ccc(CSCc2ccc(CC#N)cc2)nc1 1329036299 LUABUWXSDUBLJJ-UHFFFAOYSA-N 298.411 3.980 30 20 CHED C=CCCCCCN1CCC(C(C)(C)C(=O)O)CC1 1776173361 CSQGHZNAEIMEPL-UHFFFAOYSA-N 267.413 3.556 30 20 CHED Cc1cc(=N[C@H]2C[C@H](c3ccccc3Cl)C2)c(C#N)c[nH]1 1186593859 NIXWUDQCMDUZFC-MQMHXKEQSA-N 297.789 3.695 30 20 CHED CC(=NOC(C)(C)C)c1ccc(N2CCCC2)cc1O 1336230581 WQDLUMACQUGFAB-UHFFFAOYSA-N 276.380 3.532 30 20 CHED CCC[C@H](C(=O)N(C)[C@H](C)CC#N)c1ccc(Cl)cc1 1337807492 GLFHDYSTHWCJJR-DOMZBBRYSA-N 292.810 3.984 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc(Cl)c(Cl)cc1O 1339276202 OJRWJYYOXUSJNA-BDAKNGLRSA-N 290.190 3.551 30 20 CHED Cc1cccc([C@H]2CCCN2c2cc(C#N)cc(Cl)n2)n1 1339631218 ZAOBBQAWUXEFGK-CQSZACIVSA-N 298.777 3.652 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@](C)(CC)C1 1342743946 RXPKGTSSSKENKE-HNNXBMFYSA-N 298.381 3.808 30 20 CHED CC#CCCN1CCC[C@@H](c2nc3ccccc3s2)C1 1342615877 WYIXTLONCMHAFN-CQSZACIVSA-N 284.428 3.889 30 20 CHED CCCc1sc(C(=O)N(CC)CCC#N)cc1CC 103208582 WYRVWLDFSZSYRL-UHFFFAOYSA-N 278.421 3.639 30 20 CHED C=C[C@@H](COC)N[C@@H]1CCCc2c(Cl)cccc21 1342731834 HTELMBPBCVTRIC-XHDPSFHLSA-N 265.784 3.508 30 20 CHED CN(CCCCc1ccccc1)C(=O)c1csc(C#N)c1 1347770021 BSJILDBQJBRBEL-UHFFFAOYSA-N 298.411 3.715 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)[C@H](C#N)c1cccc(F)n1 1357701125 JQQWYTDYDRPFCT-UKRRQHHQSA-N 296.345 3.584 30 20 CHED C[C@H]1C[C@H](CC(=O)Nc2cccc(C#N)n2)CC(C)(C)C1 1437072896 IBOKIRDOGFDTMW-QWHCGFSZSA-N 285.391 3.744 30 20 CHED N#CC[C@@H](C(=O)NCCC1CCCCC1)c1ccccc1 1355961057 MDEBMDCETSRHEW-QGZVFWFLSA-N 284.403 3.770 30 20 CHED Cc1ccc2ccnc(NC(=O)c3sccc3C#N)c2c1 1452618275 ZJCSAXKSTOGCDU-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#Cc1ccc(NC(=O)c2cc(F)cc(F)c2)c(Cl)c1 225783030 XWNBIPBKCCLNOV-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1Cl 1528456807 SYMPJJRIGQUPBQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1cc(C(=O)O)co1)C2=O 1607864665 JLKFYOURZZFMFD-FBWGLTFQSA-N 282.295 3.670 30 20 CHED Cc1c(C(=O)Nc2ccns2)sc2ccc(C#N)cc12 1535302462 BOXGGNDFRVPARS-UHFFFAOYSA-N 299.380 3.790 30 20 CHED C[C@H]1CC[C@@H](CC(=O)O[C@H](C)c2cccc(C#N)c2)C1 1533365777 YCBRUNWJQNJBDF-BFHYXJOUSA-N 271.360 3.989 30 20 CHED C[C@H]1Cc2ccccc2N(CCc2ccc(C#N)cc2)C1 1473153067 TZJKYCIMSRLJRE-HNNXBMFYSA-N 276.383 3.800 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)NCC1(CC#N)CC1 1634858665 PRSZARWWUHJZCQ-GJZGRUSLSA-N 291.439 3.586 30 20 CHED Cc1cc(Oc2ccc(Br)cc2)ncc1C#N 1639186386 OKEYQYLAIHWYRI-UHFFFAOYSA-N 289.132 3.817 30 20 CHED Cc1cccc2[nH]c(CNCc3cc(C#N)ccc3F)cc12 1560590075 LZIFRMVDPZPIOY-UHFFFAOYSA-N 293.345 3.777 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC1CCN(CC)CC1 1560691325 YSMTVQLHWRGQDO-UHFFFAOYSA-N 299.462 3.502 30 20 CHED Cc1c([C@@H](C)Nc2cncc(C#N)n2)oc2ccccc12 1642128206 HJCBPKRGTONTKJ-LLVKDONJSA-N 278.315 3.576 30 20 CHED C[C@H](CNc1nc(C#N)c(Cl)s1)C(C)(C)C 1640415872 UETWZITUMNGJSR-SSDOTTSWSA-N 257.790 3.762 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1cc(F)ccc1C#N 229956786 NTSAHSQSMSIPTA-NSHDSACASA-N 286.375 3.878 30 20 CHED C=CC[C@H](N[C@H](C)c1cc(OC)c2ccccc2c1)C(=O)O 1588746879 WIXVVDHUQKUXNO-WBMJQRKESA-N 299.370 3.528 30 20 CHED N#Cc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1 5559527 CUAUSWADJSHSOB-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)c2cc(C)sc2C)n1 231898598 ZVPSFMHHSRVCII-JTQLQIEISA-N 272.377 3.508 30 20 CHED C=CCCCCCN(CC1CC1)[C@@](C)(CC)C(=O)O 1776173013 FHBJCENIYOXCEG-INIZCTEOSA-N 267.413 3.698 30 20 CHED Cc1c(NN=C/C=C/c2ccc(F)cc2)cccc1C(=O)O 1776087562 JHYDPSZDAPSLKP-KMMPQYOHSA-N 298.317 3.943 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NCc1ccc(C#N)cc1F 11549263 ZZUUHELHHSXIPH-UHFFFAOYSA-N 285.278 3.526 30 20 CHED Cc1cc(C)c(C(=O)OCc2cccc(C#N)c2)c(C)c1 12934758 SMIRRUIPRKDGKL-UHFFFAOYSA-N 279.339 3.841 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1C(C)(C)C 150757209 NTMKLGYMKDFWKV-UHFFFAOYSA-N 272.392 3.909 30 20 CHED C=CCN(C)C(=O)c1ccccc1N(C)c1ccccc1 161448490 RXMPYICUYGGZHS-UHFFFAOYSA-N 280.371 3.713 30 20 CHED C=C(Cl)CSCc1nc([C@@H](C)SCC)no1 162604284 DWGMPPMUBCXOTK-MRVPVSSYSA-N 278.830 3.869 30 20 CHED C=CCNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 158247321 WSLDBDAKONKKIW-SNVBAGLBSA-N 271.282 3.501 30 20 CHED CCCCN(CC)Cc1ccc(N(C)CCC#N)cc1 158979068 HYAUZJZRDIVPJY-UHFFFAOYSA-N 273.424 3.658 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)cc1 160942663 MMYBSXUWJXJUJH-ZBFHGGJFSA-N 270.376 3.599 30 20 CHED CC(C)(C#N)CNCc1cc(Cl)cc(Cl)c1 164666040 OFKJTHIMPUFXNT-UHFFFAOYSA-N 257.164 3.633 30 20 CHED N#Cc1ccc(CNc2ccc3nc(C4CC4)oc3c2)o1 152492440 NDUQCUQWPVVPQN-UHFFFAOYSA-N 279.299 3.782 30 20 CHED C=C(C)CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 153007209 FKBHRWCDALXPHI-UHFFFAOYSA-N 297.320 3.819 30 20 CHED C=CC1CCN(Cc2nc(C(F)(F)F)cs2)CC1 153416064 YYMVVJBTAHRWJB-UHFFFAOYSA-N 276.327 3.560 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1oc2ccccc2c1C 156581897 QKLJDLHWZSUXIX-GFCCVEGCSA-N 272.348 3.678 30 20 CHED C=CCN(C)C(=O)Nc1cccc(OCCC(C)C)c1 156878641 MDCOEDOFDCRBNO-UHFFFAOYSA-N 276.380 3.761 30 20 CHED C=CCC[C@@H](NCCOCC(F)(F)F)c1ccccc1 159941211 GWOMGLJSWZCVCM-CQSZACIVSA-N 287.325 3.862 30 20 CHED N#Cc1ccnc(N[C@H]2CCOc3ccccc32)c1Cl 236051874 LGROOZGIIHAAHW-LBPRGKRZSA-N 285.734 3.542 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1OC 130267266 YCCLVMTTWLYPSJ-ZBFHGGJFSA-N 272.392 3.625 30 20 CHED CC[C@@H](O)c1ccc(OCc2ccc(C#N)cc2)cc1 35188691 ISJMWBBGDDAZJD-QGZVFWFLSA-N 267.328 3.581 30 20 CHED COc1cc(Nc2cccc(F)c2C#N)ccc1F 160369662 JARBIWCFSMWPLS-UHFFFAOYSA-N 260.243 3.589 30 20 CHED N#Cc1ccccc1C[S@@](=O)Cc1ccc(Cl)cc1 161184135 SWLOOOJAEJXXCA-LJQANCHMSA-N 289.787 3.661 30 20 CHED N#Cc1ccc(CNCc2cc3ccccc3o2)cc1 37505749 QYRJVYZBMNAQDV-UHFFFAOYSA-N 262.312 3.594 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1C 165234066 WANSNQARBQKSHA-RDJZCZTQSA-N 256.393 3.925 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1 62257424 XKYDXNUCUXTQLJ-QGZVFWFLSA-N 282.774 3.989 30 20 CHED CCC(C#N)(CC)C(=O)NCC(C)(C)C1=CCCC1 312262836 OTMMLDPGNXZJPB-UHFFFAOYSA-N 262.397 3.569 30 20 CHED CC(C)[C@@H](C)SCCC(=O)Nc1ccccc1C#N 79080082 BVDGYXHSCWHRIA-GFCCVEGCSA-N 276.405 3.665 30 20 CHED CC[C@](C)(CNc1ccc(C#N)c(Br)c1)OC 322755263 FAVBFXYFBDNDST-CYBMUJFWSA-N 297.196 3.548 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCOC2)c(Cl)c1 533638549 SCKIJJORGIUABN-LLVKDONJSA-N 267.781 3.730 30 20 CHED C=CCOc1ccccc1CNC1CC2(CCC2)C1 448058381 MZBGTOIIFZTIEX-UHFFFAOYSA-N 257.377 3.674 30 20 CHED N#Cc1cnc(NCCc2cc(F)cc(F)c2)c(Cl)c1 339141676 LNOCHXHLFCDDJQ-UHFFFAOYSA-N 293.704 3.539 30 20 CHED C=C(CC)CNCc1csc(-c2cccs2)n1 449733253 OIKZQGZQUQSUIH-UHFFFAOYSA-N 264.419 3.927 30 20 CHED C=CCC(C)(C)CN[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 815636923 GGFMMVRQSCQFCS-KBPBESRZSA-N 296.455 3.624 30 20 CHED CC(C)c1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1 397589562 JVGVZCGQQSCQPI-AWEZNQCLSA-N 270.376 3.576 30 20 CHED CCN(CCC#N)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 108903043 SXAUXMLPCIIGCH-ROUUACIJSA-N 292.382 3.705 30 20 CHED N#Cc1ccc(NC(=O)c2ccccc2OC2CCC2)cc1 118188461 PWCJZPAWAFXSCQ-UHFFFAOYSA-N 292.338 3.742 30 20 CHED CC(C)CCN(CCC#N)C[C@@H](O)c1ccc(Cl)cc1 173538688 YKBGEDAAGXILEH-MRXNPFEDSA-N 294.826 3.635 30 20 CHED COc1ccc([C@H](C)CN(C)Cc2cccc(C#N)c2)cc1 179681999 MRBYPKBYIPRUPM-OAHLLOKOSA-N 294.398 3.802 30 20 CHED C=C(C)CN(CC)C(=O)CCCCc1ccc(OC)cc1 57031729 WLQICQDUFIIYRR-UHFFFAOYSA-N 289.419 3.833 30 20 CHED CCN(CCCCC#N)Cc1ccccc1Cl 102397312 VEBVRKYDNQJJFT-UHFFFAOYSA-N 250.773 3.856 30 20 CHED C=CCCCC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 179376134 PFEUGTGMBCXKLY-SFHVURJKSA-N 298.361 3.783 30 20 CHED C=CCCCC(=O)NCc1ccc(OC(F)(F)F)cc1 175168283 FPFKSOKCDDWORU-UHFFFAOYSA-N 287.281 3.558 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(Cl)c2)C1 116808356 OUXZCMYFYOPGKZ-ABAIWWIYSA-N 276.767 3.542 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(C(C)C)[nH]n1 69788430 MQVQZJIVQFVFHH-UHFFFAOYSA-N 289.423 3.742 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 176861890 WYRAYSDYVUDOQQ-XEZPLFJOSA-N 290.382 3.883 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1Cl 303680488 RQHVOGFNBRWELM-BZNIZROVSA-N 290.794 3.851 30 20 CHED C=C[C@@H](C)Nc1nnc(Cc2ccc(Cl)cc2)s1 302379896 BNBVFFNZOUYXIK-SECBINFHSA-N 279.796 3.769 30 20 CHED Cc1cccnc1[C@H](NCc1ccc(C#N)cc1F)C(C)C 172349998 IDZSIIPVFHQPAQ-QGZVFWFLSA-N 297.377 3.888 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cc(-c2ccccc2)ccn1 1343992174 NWGBCKXRZGFUID-MRXNPFEDSA-N 294.354 3.844 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccc(N(C)C)cc1 28625583 MMJCIBMNVMMHGQ-XYOKQWHBSA-N 295.382 3.966 30 20 CHED Cc1ccc2c(c1)nc(CNc1cccc(F)c1C#N)n2C 302223192 PLAXBJCILDHFQM-UHFFFAOYSA-N 294.333 3.505 30 20 CHED CC(C)(C)C1=CCN(c2c(C#N)cccc2C#N)CC1 408404222 HCVWEUUOAKZYBL-UHFFFAOYSA-N 265.360 3.613 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1sc(C)nc1C 172765121 ZUUFHFYYEUCESF-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C#CCCCCC(=O)N[C@H]1CCSc2c(F)cccc21 119524779 XXEIHKLSYFQKQR-AWEZNQCLSA-N 291.391 3.672 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCc1cc2ccccc2[nH]1 301121320 WSSJBPPJBMCQDA-UHFFFAOYSA-N 292.298 3.560 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccccc1F 45935110 SSZUKUAHFYLQKZ-UHFFFAOYSA-N 269.319 3.654 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCC1CCCC1 65984796 PDHQYYHOZFLOIT-UHFFFAOYSA-N 286.419 3.617 30 20 CHED COc1ccc(C)cc1CN[C@@H](C)c1ccc(C#N)cc1 35256417 KEQDZQHTSPLIHG-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ccc(F)cc1F 182610119 CHMBOEITXOKUAZ-GFCCVEGCSA-N 281.346 3.758 30 20 CHED C[C@H](Nc1ccnc(Cl)c1)c1cccc(C#N)c1 129872725 MEYGATZCXPGMGO-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccccc1C(C)C 125089727 BVIYXKURLHBWMK-ZDUSSCGKSA-N 262.349 3.697 30 20 CHED N#CCC[C@@H](C#N)CN1CCC(CCc2ccccc2)CC1 73415147 LXTFFJOTCWNDBR-IBGZPJMESA-N 295.430 3.775 30 20 CHED N#Cc1cccnc1NC1(Cc2cccc(F)c2)CCC1 302463244 PBAGUHVHYZQYNE-UHFFFAOYSA-N 281.334 3.670 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(F)c(C#N)c1 120560289 AXVPEDICGLUQKZ-LBPRGKRZSA-N 284.334 3.596 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Nc1nnc(C)s1 124372206 AWGADLPEEVYJLW-LLVKDONJSA-N 298.456 3.965 30 20 CHED CCCOc1ccc(C(F)(F)F)cc1N[C@@H](C)C#N 78369074 VVIPRRIDMXHMCR-VIFPVBQESA-N 272.270 3.818 30 20 CHED C#CCCCCC(=O)N1CCN(C2CC2)c2c(C)cccc21 184760448 QFOAMBMXUPHAKH-UHFFFAOYSA-N 296.414 3.504 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1cccc(O)c1)C2=O 72031041 PUTRJTISMPYPHK-RIYZIHGNSA-N 280.323 3.668 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(C#N)c2)C1 509346255 VHAFOFNCOGOSBY-DLBZAZTESA-N 299.418 3.572 30 20 CHED C=CCN(C(=O)CC(C)C)c1nc2c(s1)CCCC2 70670367 UDHOEYCBHYUHHN-UHFFFAOYSA-N 278.421 3.587 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N 189482721 PMAYGJBIQUPHMR-JKSUJKDBSA-N 292.423 3.851 30 20 CHED C=CCCC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 182754083 KQBWDRJCHWXYOY-LBPRGKRZSA-N 293.235 3.651 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CSc1ccc(Cl)cc1 410827929 MIWKYLNINDXTJQ-GFCCVEGCSA-N 296.823 3.583 30 20 CHED C=CCC[C@@H](C(=O)NC1CCSCC1)c1ccccc1 187348712 PJMJRJOSWXUZGW-MRXNPFEDSA-N 289.444 3.748 30 20 CHED CC#CCCCC(=O)Nc1ccccc1OCC1CC1 185650702 YINLTYKZNUPYLR-UHFFFAOYSA-N 271.360 3.608 30 20 CHED CN(Cc1cccc(Cl)c1Cl)c1ccc(C#N)cn1 39537712 OYXSMBIQFHNLCG-UHFFFAOYSA-N 292.169 3.896 30 20 CHED N#CCC(=O)Nc1cc(Cl)ccc1OC1CCCC1 187305420 MJWNYKCVEMATEH-UHFFFAOYSA-N 278.739 3.514 30 20 CHED CCCc1nc(CNc2cc(C)cc(C#N)c2)cs1 453136480 BXDHSONOAQSXIB-UHFFFAOYSA-N 271.389 3.888 30 20 CHED C=CC[C@H](C(=O)NCc1cccc(F)c1)c1ccccc1 186487116 SOEKCJXYBZFPRJ-KRWDZBQOSA-N 283.346 3.802 30 20 CHED CC[C@@H](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)C(C)C 183927200 HOMLJSQBAVCBMY-KXBFYZLASA-N 298.430 3.626 30 20 CHED C=C(Br)CN[C@H](C)[C@@H](C)c1ccc(OC)cc1 125105828 HCNBZBSNAVIGNE-VXGBXAGGSA-N 298.224 3.685 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)NCC1(C#N)CCC1 416348350 TXZJVTXHUAHYGH-HNNXBMFYSA-N 276.424 3.793 30 20 CHED N#Cc1cc(F)ccc1CSc1cccc([N+](=O)[O-])c1 509088467 CFFDYXPRKCGSLN-UHFFFAOYSA-N 288.303 3.898 30 20 CHED CCCOc1c(CN(CC)CCC#N)cccc1OCC 127635121 KSMQJWCCKBFYLR-UHFFFAOYSA-N 290.407 3.610 30 20 CHED CCOc1ccccc1CSc1nc(C)nc(C)c1C#N 73719293 BJNAPTYXNHMBQP-UHFFFAOYSA-N 299.399 3.656 30 20 CHED N#Cc1cccnc1NCc1ccc(C2CCC2)cc1 491592794 YUXKGOWAOWPNGL-UHFFFAOYSA-N 263.344 3.833 30 20 CHED Cc1c(C(=O)OCC(C)(C)C#N)oc2c(C)cccc12 180089304 VUJXQGUXFZOAKD-UHFFFAOYSA-N 271.316 3.756 30 20 CHED C=CCCC(=O)CSc1nnc(CCC2CCCC2)[nH]1 134735395 NSWDXXVTBAQXLK-UHFFFAOYSA-N 293.436 3.555 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2ccc(F)cc2C1 133853713 OOZNPSHLQLYOOX-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)c1nccs1)c1ccccc1 130969212 QLKZAENGIFGKJG-QWHCGFSZSA-N 286.400 3.680 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(CC)CCC#N 133473721 JHFCIAQQENJMFO-HNNXBMFYSA-N 264.413 3.745 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](c2ccccc2)C1 134993208 BKQPQIWTQHXMCF-RDJZCZTQSA-N 257.377 3.605 30 20 CHED Cc1cc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)o1 416095515 CCZOWUJATMACAG-QGZVFWFLSA-N 294.354 3.576 30 20 CHED CCCCCCCCCN(C)C(=O)C1CCC(O)CC1 194159197 YDGAHXBHKFDQHJ-UHFFFAOYSA-N 283.456 3.747 30 20 CHED COc1ccccc1[C@@H](C)[S@](=O)Cc1cccc(C#N)c1 80150188 IDLFOUIIAOXKPG-ASSNKEHSSA-N 299.395 3.577 30 20 CHED C=CCOCCCC(=O)Nc1cccc(CSCC)c1 80450674 SKIUIUXMLDARIS-UHFFFAOYSA-N 293.432 3.861 30 20 CHED CN(Cc1nccs1)Cc1ccccc1C(C)(C)C#N 135268104 XAOATIQQEVXWDR-UHFFFAOYSA-N 285.416 3.576 30 20 CHED CC1(NCc2cccc(C#N)c2)CCC(F)(F)CC1 612192032 KUQUIYKQKXZXHU-UHFFFAOYSA-N 264.319 3.616 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@](C)(C#N)CC 289046562 ZOKHIXRCNKSIBO-CQSZACIVSA-N 296.823 3.856 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(Cl)cc1Cl 47979339 YIADIJKABNFGCI-VIFPVBQESA-N 257.164 3.585 30 20 CHED C=CCC1(C(=O)Nc2cc(F)cc(F)c2)CCC1 191470890 SRBRIZHFCZBPEM-UHFFFAOYSA-N 251.276 3.650 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 424845686 WYQVBVQWLIQJPH-CTYIDZIISA-N 275.367 3.790 30 20 CHED CCC[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 194717021 DFDLGMSBLXXDPX-SFHVURJKSA-N 292.382 3.758 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)C1 516231219 RMDBQBDQDQHVFN-CWVKQELPSA-N 276.424 3.599 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccccc2)cc1 132402381 JBASLYOTKWQXRJ-VAWYXSNFSA-N 252.313 3.729 30 20 CHED C=CC[C@H](C)NC(=O)CCn1ccc2cc(Cl)ccc21 135045873 KSQYOVAZJBSIBL-LBPRGKRZSA-N 290.794 3.766 30 20 CHED C[C@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccsc2S1 424318188 CQHNVCFJFQMIAR-MEWQQHAOSA-N 278.446 3.955 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1ccc(F)c(F)c1 190980037 KWWQXBVQAUPFNI-CQSZACIVSA-N 253.292 3.530 30 20 CHED N#Cc1cnc(N2CCc3ccc(Cl)cc32)c(Cl)c1 513634834 GTHFCUSACWUBJE-UHFFFAOYSA-N 290.153 3.954 30 20 CHED C=CCC1(c2nc(COc3ccccc3)no2)CCC1 191228742 QTOPJZMWARFUCW-UHFFFAOYSA-N 270.332 3.646 30 20 CHED C=C(CNC(=O)N1CC[C@@H](CC(C)C)C1)c1ccccc1 512661077 PTFMOBBJCHVJDP-INIZCTEOSA-N 286.419 3.777 30 20 CHED Cc1c(C(=O)N(C)CC(C)(C)C#N)oc2ccc(F)cc12 335968966 NNPXPYRJCRMCCP-UHFFFAOYSA-N 288.322 3.502 30 20 CHED C=CCC[C@H](N[C@H](C)c1ccnn1C)c1ccccc1 193034332 OZMJLRXJZIVAHZ-ZBFHGGJFSA-N 269.392 3.778 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 195252136 NMDQNIAGWAAIFS-RBUKOAKNSA-N 292.382 3.568 30 20 CHED C#CCCCC(=O)Oc1ccc(Oc2ccccn2)cc1 192113804 CGRQHGWSODUBNM-UHFFFAOYSA-N 281.311 3.583 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)cc1 510095451 MDEMNJMEWXWVPB-LBPRGKRZSA-N 256.349 3.713 30 20 CHED N#Cc1cccc2c1CCN2C(=O)c1sccc1C1CC1 335481929 XSROMWZUPSGYBL-UHFFFAOYSA-N 294.379 3.700 30 20 CHED CCCn1c(-c2cccc(C#N)c2)nc2ccccc21 514915674 SNEWBRVRFGRGEC-UHFFFAOYSA-N 261.328 3.985 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1 334198955 MIUAHJHTHWALEA-OAHLLOKOSA-N 292.382 3.530 30 20 CHED C[C@@H](NC(=O)N[C@@H]1CC12CCCCC2)c1ccc(C#N)cc1 332810042 VVNLLVFWKLSSJG-CZUORRHYSA-N 297.402 3.641 30 20 CHED Cc1ccc([C@H](C)NCc2cccc(OCC#N)c2)s1 49160259 URGSWCQLOYMDQU-ZDUSSCGKSA-N 286.400 3.810 30 20 CHED N#Cc1ccnc(SC2CCC(C(F)(F)F)CC2)n1 334620431 GBKYBXIKFJZPKF-UHFFFAOYSA-N 287.310 3.561 30 20 CHED C[C@@H]1Oc2ccccc2[C@H]1NC1CCC(C)(C#N)CC1 336222681 BDWWTHQIRRLESY-VTPHTMIKSA-N 270.376 3.571 30 20 CHED Cc1cscc1CNc1nc(Cl)c(C#N)s1 235822568 VZQFDODQMOMBJV-UHFFFAOYSA-N 269.782 3.650 30 20 CHED C=C1CCN(C(=O)CCCc2ccc(C)s2)CC1 430691544 MUXWBRMLFNPNQX-UHFFFAOYSA-N 263.406 3.558 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)c1 331907303 YBWKAMNACUMHSL-ZBFHGGJFSA-N 283.375 3.663 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2nc3cc(Cl)ccc3s2)C1 334904467 ZKECYKAAJCIHED-MWLCHTKSSA-N 291.807 3.732 30 20 CHED C=C1CCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 334427526 XDMBVEOUKBTAPC-LLVKDONJSA-N 275.377 3.511 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC(F)(F)C[C@H]1C 528291021 CICHHIKQURVLPD-NWDGAFQWSA-N 298.381 3.602 30 20 CHED CC(C)Cc1ccc([C@H](NC(=O)[C@@H](C)C#N)C2CC2)cc1 524071040 XPEMEDYOYZRNJB-GUYCJALGSA-N 284.403 3.612 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1sc(CCOC)nc1C 343513482 WDFJPOBYGIOMQC-AAEUAGOBSA-N 282.453 3.646 30 20 CHED N#CCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 342640823 CXBVGYOHQOFRNC-WDEREUQCSA-N 297.185 3.517 30 20 CHED C=CCCOCCN[C@@H]1CC[C@@](C)(c2ccccc2)C1 437782053 XZEQZIIVYRCGAD-QZTJIDSGSA-N 273.420 3.679 30 20 CHED C=CCNC(=O)[C@H](C)SCCc1ccc2ccccc2c1 437420922 TZBNHCQNHMGNIK-AWEZNQCLSA-N 299.439 3.806 30 20 CHED N#Cc1ccc(N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1 609289039 OTJPRMIOGNKCCQ-HNNXBMFYSA-N 299.324 3.527 30 20 CHED CC(C)Oc1cccc(CN(C)C[C@@H](C)CCC#N)c1 602483776 LORPLTYLFYFYMC-HNNXBMFYSA-N 274.408 3.845 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCSc3ccccc32)C1 248835546 NACJMVGYJKKVHQ-UMVBOHGHSA-N 272.417 3.895 30 20 CHED C=C(C)CN[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 342554236 AQEPMZPUUPACFN-MRXNPFEDSA-N 275.392 3.544 30 20 CHED C[C@H]1CCCN(CCCCN[C@H](C)c2cccc(C#N)c2)C1 245870472 JHXGMLREGDUDCP-DLBZAZTESA-N 299.462 3.721 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cccc2cc(O)ccc12 601583944 YTOWIXKATAQHED-UHFFFAOYSA-N 296.370 3.605 30 20 CHED CCCCCc1ccc(NC(=O)c2ccc(C#N)cn2)cc1 609342608 SSKRYDRDNOZFSW-UHFFFAOYSA-N 293.370 3.938 30 20 CHED C[C@@H](C(=O)NCCCCC#N)c1c(Cl)cccc1Cl 609141652 AIICQVLANQVCSG-SNVBAGLBSA-N 299.201 3.907 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1ccc(F)cc1C#N 523449491 KTGKUDAYWUVKKM-LBPRGKRZSA-N 298.336 3.956 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cccc(F)c1 255310743 OUXKUZRUMYCPBL-PLNGDYQASA-N 278.229 3.706 30 20 CHED N#CC1(CSC[C@@H]2CCC3(CCCCC3)O2)CC1 342138956 UYKYGTIUSNUUQO-ZDUSSCGKSA-N 265.422 3.905 30 20 CHED COCc1cc(C#N)ccc1NCc1ccc(C)cc1OC 603312548 XOPBKYBHSPSKML-UHFFFAOYSA-N 296.370 3.634 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(C(C)C)cc1 540399168 WCQZNBMLVZPUFP-HUUCEWRRSA-N 261.409 3.645 30 20 CHED CCSc1cccc(N=Cc2ccc(O)c(O)c2O)c1 255867950 GTOYBJHFNCRFIJ-UHFFFAOYSA-N 289.356 3.666 30 20 CHED Cc1[nH]c2ccccc2c1CCNC[C@H](C)CCC#N 602527691 KDXPFYDPDIQLEN-CYBMUJFWSA-N 269.392 3.548 30 20 CHED C/C(=C/C(=O)OCC1(CC#N)CC1)c1cccc(Cl)c1 255499858 KISGQIKGXLYEEL-XFXZXTDPSA-N 289.762 3.980 30 20 CHED Oc1ccc(Cl)cc1/C=N\[C@@H]1CCOC2(CCCC2)C1 255336842 NESDHCBHTFOACY-JVVDOCDTSA-N 293.794 3.956 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@H](C)C3(CCC3)C2)c1 347416631 SNZAGZPMRSUQSS-ZDUSSCGKSA-N 282.387 3.777 30 20 CHED CCC(CC)Oc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 449839530 CCAJLZYOTQAXDA-CYBMUJFWSA-N 288.391 3.628 30 20 CHED COc1cccc(C[C@@H]2CCCN2c2ccc(C#N)cc2)c1 603873389 NWABZTHUFSUFID-SFHVURJKSA-N 292.382 3.778 30 20 CHED C=CCC1(C(=O)NCCc2cccs2)CCCC1 449051123 RXGJBMWLAXQQNQ-UHFFFAOYSA-N 263.406 3.543 30 20 CHED CCOc1cccc(C=Nc2cccc(C#N)c2C)c1O 255385728 VTUOZAJDLIJJSS-UHFFFAOYSA-N 280.327 3.722 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1cncc(F)c1 255523001 WUGBAMWNWUXXDJ-PLNGDYQASA-N 293.244 3.718 30 20 CHED C=CCSCCNC(=O)c1ccc(CC(C)C)cc1 604486653 VMBRSWYZFOHCIZ-UHFFFAOYSA-N 277.433 3.534 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@H](C)c1ccc(CC)cc1 609990197 HCHYTPJXJZTEBO-BBRMVZONSA-N 272.392 3.551 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 357690593 HHMZHPUVXHRGPF-DLBZAZTESA-N 292.382 3.752 30 20 CHED CC(C)(C)Oc1cccc(CNc2cccc(C#N)c2)n1 350478951 OGKVAUXDZBWMCY-UHFFFAOYSA-N 281.359 3.743 30 20 CHED C=CCCC1(C(=O)NCc2c(Cl)cccc2OC)CC1 357043284 HOCAHRIDGOLGGP-UHFFFAOYSA-N 293.794 3.711 30 20 CHED CC1CCC(CN[C@@H](C)CC2(C#N)CCOCC2)CC1 602527610 RCNBJNBUQNLJDF-PCKAHOCUSA-N 278.440 3.501 30 20 CHED CC[C@H](C)CC(=O)N(CC(C)C)c1ccc(C#N)cc1 359418271 IMCHJMKOEKUCKX-AWEZNQCLSA-N 272.392 3.983 30 20 CHED C[C@@H](CCC#N)CN[C@@](C)(Cc1ccccc1)C1CC1 602687499 XTEQOWCJICXQSU-YJBOKZPZSA-N 270.420 3.927 30 20 CHED CCCC(=O)Nc1cccc(NCc2cccc(C#N)c2)c1 530911137 FDJILFCQLRZPCU-UHFFFAOYSA-N 293.370 3.909 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1ccc(Cl)cc1Cl 448577888 DUAFAUQLUPMMHH-ITMYJUKJSA-N 297.185 3.720 30 20 CHED CC#CCCN(C)[C@H](C)c1nc2ccccc2s1 185060872 SSBCAAVTDMHPFH-GFCCVEGCSA-N 258.390 3.703 30 20 CHED C[C@H](CN1CCC[C@]2(CCCCO2)[C@@H]1C#N)c1ccccc1 447913081 HXLGSNQTMWOYOO-NZSAHSFTSA-N 298.430 3.717 30 20 CHED C=CCC[C@H](N[C@H](C)c1ccc([S@@](C)=O)cc1)C1CC1 358257527 UPQKIQCBONPDTQ-ASUYLVSUSA-N 291.460 3.819 30 20 CHED N#Cc1ccc(SCc2csc(-c3ccco3)n2)nc1 353718065 YZVYVEDERMRALS-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C=CCC1(NC(=O)c2cc(C(C)(C)C)on2)CCCC1 619107527 DCZKUPHFCBZOAQ-UHFFFAOYSA-N 276.380 3.591 30 20 CHED Cc1sc(NC(=O)CC[C@H]2CC[C@H](C)O2)c(C#N)c1C 443819668 XJLIWYPWTVGVID-JOYOIKCWSA-N 292.404 3.523 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(F)cc1C#N 531192240 DHKVRTXNFCABEB-VXGBXAGGSA-N 274.339 3.852 30 20 CHED C=CC1CCN(C(=O)c2ccn(Cc3ccccc3)c2)CC1 358996461 XHJOABKELCYUHS-UHFFFAOYSA-N 294.398 3.575 30 20 CHED CCC1(CC)CN(CC2(C#N)CC2)c2ccccc21 539448371 JPXUDJLXUIBMRM-UHFFFAOYSA-N 254.377 3.868 30 20 CHED C=CCC1(C(=O)N[C@H](CC)CC(F)(F)F)CCC1 359882453 WBOULSUKSKAACT-SNVBAGLBSA-N 263.303 3.580 30 20 CHED C=CCC[C@@H](CC)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 268745990 AQDRWGHONMHDTC-CZUORRHYSA-N 286.419 3.967 30 20 CHED C=CCN(C(=O)Nc1ccc(N2CCCC2)cc1C)C1CC1 537862560 DMOUCWQBKKFEMI-UHFFFAOYSA-N 299.418 3.778 30 20 CHED C=CCOc1cccc(CN2CCCC3(CC3)C2)c1 351914885 GKBPIDDLYBLFND-UHFFFAOYSA-N 257.377 3.627 30 20 CHED Cn1cc(CNC[C@H]2CCC[C@H]2c2ccccc2)cc1C#N 449403038 UTBCQBWBKXHOEL-MJGOQNOKSA-N 293.414 3.570 30 20 CHED Cc1cc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1C#N 618752348 MFSNRCAHPJLDSJ-FUHWJXTLSA-N 298.430 3.505 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@H]1CCCc2ccccc21 359760726 BHJOGDXYMPQTMO-INIZCTEOSA-N 284.403 3.553 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@H]1CCc2ccccc21 614397531 BXUNXKSWMHSYEO-IBGZPJMESA-N 276.383 3.986 30 20 CHED N#CCN(Cc1ccccc1OCc1ccccc1)C1CC1 352743653 WIJPRTVVQHTJRA-UHFFFAOYSA-N 292.382 3.754 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)s1 530913788 TVKGXFGQGMUUJE-AAEUAGOBSA-N 276.405 3.708 30 20 CHED CCC[C@H](OC)c1noc(/C=C\c2ccc(C#N)cc2)n1 453203801 QSAMVTHVVBJZDE-CMUBDUJZSA-N 283.331 3.599 30 20 CHED CC(C)[C@@H]1C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CS1 618831486 UDSROCUPFYOIQV-PVAVHDDUSA-N 286.444 3.665 30 20 CHED C=CCCc1noc(C2(CCOCc3ccccc3)CC2)n1 453230792 HUUUOLKRBFGEIJ-UHFFFAOYSA-N 298.386 3.827 30 20 CHED N#Cc1c(Cl)cccc1N1CCC[C@@H](OCC2CC2)C1 450457534 RWZUISSGBGMDHE-CYBMUJFWSA-N 290.794 3.607 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1C(C)C 537188100 NTLSMXXXTVUAKF-UONOGXRCSA-N 252.402 3.561 30 20 CHED C=C(C)CCNC(=O)Nc1c(C)cccc1OC(F)F 454710098 PCWSUCWKHTZAOD-UHFFFAOYSA-N 284.306 3.684 30 20 CHED N#CCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 360543611 HSGDHCZOAJGDNQ-GXFFZTMASA-N 297.185 3.659 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 455535765 BBSFIEXOLLKPED-NSHDSACASA-N 282.334 3.633 30 20 CHED CCCN(c1nccc(C#N)n1)[C@H](CC)c1ccccc1 450289826 SRAWHQUQNWNWQJ-MRXNPFEDSA-N 280.375 3.716 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1nc2c(s1)CCC2 459628118 CORNVZJOLUSNGI-QWRGUYRKSA-N 250.411 3.637 30 20 CHED C=C(CNC(=O)C1(c2ccccc2)CC1)c1ccccc1 360209951 SXSKFGDOAZDOCM-UHFFFAOYSA-N 277.367 3.548 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 618683297 WCXYXYVJPNTHJZ-GMTAPVOTSA-N 296.823 3.559 30 20 CHED C=CCC1(NC(=O)c2cc(Cl)ccc2C)CCOCC1 618248343 CRQIVZRKISBJQX-UHFFFAOYSA-N 293.794 3.504 30 20 CHED CN(CCCCC#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273420800 JUENPPKRUZJZNK-SJORKVTESA-N 290.382 3.671 30 20 CHED C=CC[C@H]1N(Cc2noc(C3CC3)n2)CCCC1(C)C 277874179 UYUDULNCYIXBMS-CYBMUJFWSA-N 275.396 3.514 30 20 CHED COCC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C)o1 272551490 CZEMUNSONKSPGP-RHSMWYFYSA-N 298.386 3.888 30 20 CHED CCN(CCC#N)C(=O)C(C)(C)Cc1ccc(Cl)cc1 457489157 RNJSQKQGAWYWHO-UHFFFAOYSA-N 292.810 3.671 30 20 CHED CO[C@@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)c(F)c1 453376466 IHOJBAMICIUHSM-SCLBCKFNSA-N 298.361 3.563 30 20 CHED Cc1cc(CSCC[C@@H]2CCCO2)ccc1C#N 362474288 RYKGYGNLGOFDCL-HNNXBMFYSA-N 261.390 3.669 30 20 CHED N#Cc1cccc(NCc2cc(C3CC3)ccc2F)n1 450592214 ZLXMYCHYSAHYFW-UHFFFAOYSA-N 267.307 3.582 30 20 CHED CC[C@@H](CN(CC)C(=O)NCCCC#N)c1ccccc1 275053080 LYAXALUYNTYNMZ-HNNXBMFYSA-N 287.407 3.515 30 20 CHED Cc1ccc([C@H]2[C@H](C)CCCN2c2nccc(C#N)n2)cc1 450369608 QPTRUGBZVMWWRC-RHSMWYFYSA-N 292.386 3.634 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 540144902 UEMSKSVKSANIDC-RRFJBIMHSA-N 253.430 3.915 30 20 CHED C[C@H](C#N)CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 548448437 UYQFCEZJLNAFNO-MZHSRFCDSA-N 288.435 3.649 30 20 CHED CC12CC3(C)CC(C)(C1)CC(C(=O)NC1(C#N)CC1)(C2)C3 547540592 RADWMYRTPZRVDN-UHFFFAOYSA-N 286.419 3.545 30 20 CHED C=CCCCCN[C@H](C)c1cccc(N2CCOCC2)c1 274575567 JOIWPWHMDDSIJA-MRXNPFEDSA-N 288.435 3.530 30 20 CHED C=CC[C@H](C(=O)N(CC1CC1)C(C)C)c1ccccc1 548610336 HZRAGTWPEQDKHF-KRWDZBQOSA-N 271.404 3.993 30 20 CHED N#Cc1ccc(NC2CC(OCc3ccccc3)C2)cc1 545913618 ZBMRSSYDTZOGJM-UHFFFAOYSA-N 278.355 3.718 30 20 CHED C#CCCCCC(=O)OCc1cnc(C(C)(C)C)s1 278441229 KJAFMJUMYIIRPX-UHFFFAOYSA-N 279.405 3.677 30 20 CHED C=CCN(C(=O)[C@@H]1SCCc2sccc21)C(C)(C)C 622944347 OGYWSJWNZXYNAK-CYBMUJFWSA-N 295.473 3.892 30 20 CHED C=C[C@H](C)NC(=O)N1Cc2ccccc2-c2ccccc2C1 464748943 GRPZSKQIVINKDP-AWEZNQCLSA-N 292.382 3.953 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC(C)(CC)CC1 466379839 GZVJNWYQEMUWRW-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CC[C@H](CC)N[C@H]1CCN(C)[C@H](c2ccccc2)C1 550796066 SRAQZAHPQDKUHH-BZSNNMDCSA-N 272.436 3.766 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@@H]1CCCC[C@H]1C 551182650 YNPABAMKACBTBK-KGLIPLIRSA-N 251.414 3.921 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2cc(C3CC3)no2)cc1 281539528 XEQXPXJZIKUEJA-UHFFFAOYSA-N 295.342 3.605 30 20 CHED C=C(C)Cn1c(CC2CC2)nnc1N1CCCC[C@@H]1CC 460783621 YZIWNEXIGAQATC-HNNXBMFYSA-N 288.439 3.576 30 20 CHED CC(C)(C#N)N1CC[C@@](F)(c2cccc(Cl)c2)C1 554861565 ZLJODPPAILXDAN-AWEZNQCLSA-N 266.747 3.513 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ncsc1C(C)C)OCC 289239177 WDOGTFIJBFYRMP-NSHDSACASA-N 282.409 3.576 30 20 CHED C#CCC(C)(C)c1nc(Cc2c[nH]c3cc(F)ccc23)no1 288837993 DABPBBHCKGATOO-UHFFFAOYSA-N 297.333 3.582 30 20 CHED CC[C@@](C)(C#N)c1nc(CSCc2ccccc2)no1 289978858 DDEOUVQNCNPPAY-HNNXBMFYSA-N 287.388 3.694 30 20 CHED N#CC1(CCCOc2ccc(Cl)cc2)CCOCC1 281253934 GZYXMSQINSZSAL-UHFFFAOYSA-N 279.767 3.819 30 20 CHED Cc1ccc([C@H](NC(=O)c2cc(C#N)oc2C)C2CC2)cc1 280621375 RQIXXBSHFMPONL-KRWDZBQOSA-N 294.354 3.649 30 20 CHED C=CCOCCOc1ccc2cc(C(C)=O)ccc2c1 555041405 GWXHITIUBJZWQF-UHFFFAOYSA-N 270.328 3.624 30 20 CHED C=C1CCN(Cc2coc(-c3cccc(OC)c3)n2)CC1 639484001 XZPDUCWNTKXFHJ-UHFFFAOYSA-N 284.359 3.502 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC(CC)(CC)C1 466401845 OAYLWIJHWWEQHT-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CCC1(CNCCC2CCOCC2)CCCC1 639251287 IQDIAJOGJBOTRF-UHFFFAOYSA-N 251.414 3.529 30 20 CHED C=CCCC(=O)N1CCC[C@](C)(c2ccccc2)CC1 552833418 TXOLGTOQWBNRDH-SFHVURJKSA-N 271.404 3.923 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1cccc(CC#N)c1 283735752 ZWSKTRUMQCWPTR-AWEZNQCLSA-N 284.403 3.793 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 281400884 PQGPEDMJIUQQHK-IUODEOHRSA-N 278.371 3.883 30 20 CHED CO[C@H](C1CC1)[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 388337819 IDNUPSCFOCQFQR-XPTSAGLGSA-N 298.308 3.802 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)NCCC(C)(C)C1CC1 297055690 XQRFTKBAXRSTCB-UHFFFAOYSA-N 299.418 3.526 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2c(C)cccc2C)cc1 290226543 QIZTVACUPPNHSN-QGZVFWFLSA-N 292.382 3.861 30 20 CHED N#CCCCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 291736272 RGKFFCXJDDZOEA-KRWDZBQOSA-N 288.366 3.867 30 20 CHED C#CCCCNc1ccc(Br)c(C)c1F 389864416 FZSDHXCHFGUZRO-UHFFFAOYSA-N 270.145 3.722 30 20 CHED N#CCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 290931598 JEMWHSLYMVRIIM-CYBMUJFWSA-N 299.399 3.654 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(SC)c(Cl)c1 806328048 AZPFPSIFJGPJPB-VIFPVBQESA-N 282.796 3.595 30 20 CHED C#C[C@H](NC(=O)/C=C/CCC)c1ccc(Cl)cc1F 804416400 FNKOAKLOFSCEFQ-UZYOAWRESA-N 279.742 3.626 30 20 CHED CCc1cc(Cl)c(Cl)cc1OCCO[C@@H](C)C#N 802734027 HVOWQPZPJACBLP-VIFPVBQESA-N 288.174 3.863 30 20 CHED C=CCC[C@@H](O)CN1CCCC[C@@H]1c1ccccc1 565153056 PHLKIUWFFMSLPV-IAGOWNOFSA-N 259.393 3.541 30 20 CHED C[C@@H](C#N)OCCOc1ccc(Cl)c(C(F)(F)F)c1 801655905 OPDKAZHUKBRNRZ-QMMMGPOBSA-N 293.672 3.666 30 20 CHED C=CCC1(NCc2ccc(N(C)C)nc2)CCCCC1 648777354 HTIYSNCMMOJZTN-UHFFFAOYSA-N 273.424 3.516 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](C)SCCCC 804836813 IAEQWHVSJQSNDK-OAHLLOKOSA-N 289.444 3.570 30 20 CHED N#Cc1cccc(OCCCNc2ccccc2F)c1 477594765 YEXLSACXCYTDNO-UHFFFAOYSA-N 270.307 3.578 30 20 CHED CCCCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 298326305 GNVMDUDMUCTUEE-ZDUSSCGKSA-N 258.365 3.658 30 20 CHED N#CCc1ccc(COc2cnc3ccccc3c2)cc1 399139654 UIFIZCJOOHQVQL-UHFFFAOYSA-N 274.323 3.880 30 20 CHED C#CCOc1ccc(C(=O)N(C)[C@H](C)C2CCCCC2)cc1 801095292 IMOKFHNGTXPAEE-OAHLLOKOSA-N 299.414 3.739 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)OCC(C)C)n1 560029447 QKINFPKHTISNKM-NSHDSACASA-N 252.358 3.657 30 20 CHED C=CC(C)(C)c1nc(-c2c(Cl)nc3sccn23)no1 296936342 QELCEJRTDVHAJY-UHFFFAOYSA-N 294.767 3.563 30 20 CHED CSC1(C=NNc2ccc(Cl)c(C(=O)O)c2)CCC1 800805674 XUUHLOJURJGUMT-UHFFFAOYSA-N 298.795 3.722 30 20 CHED C#C[C@H](NC(=O)c1ccc(OC)c2ccccc12)C(C)(C)C 807881523 MDIPVFFUJNKEKC-KRWDZBQOSA-N 295.382 3.626 30 20 CHED CCCCOCCNc1cc(C#N)ccc1C(F)(F)F 475356180 LQGKCFXLZPVDQV-UHFFFAOYSA-N 286.297 3.806 30 20 CHED C#C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1F 804423815 ZKRVKWFBLYCEQT-NHYWBVRUSA-N 291.753 3.626 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCSc1ccccc1 488846700 ZPQYNXJVFZIFCC-AWEZNQCLSA-N 275.417 3.736 30 20 CHED Cc1cc(COc2ccc3c(c2F)CCC3=O)ccc1C#N 561524646 RTNPKKFVCXNWSR-UHFFFAOYSA-N 295.313 3.714 30 20 CHED Cc1cc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc(C#N)n1 561226649 FSPCQGXMIQGRCT-BBRMVZONSA-N 287.407 3.515 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C#N 483051871 RSYUDVYGUOOJAX-TZMCWYRMSA-N 256.349 3.713 30 20 CHED Cc1cccc2c1[C@@H](OC(=O)c1cccc(C#N)c1)CCO2 814031114 RNXMEXGZEDSMAK-INIZCTEOSA-N 293.322 3.547 30 20 CHED Fc1ccc(/C=C\C=NOC/C=C/Cl)cc1F 811668642 IMXSBEAFVYLIBT-CPYZJOCFSA-N 257.667 3.733 30 20 CHED CC[C@@H](C=NNc1ccc(C)cn1)c1ccccc1 814831875 VHYZYEKTMOGHMS-AWEZNQCLSA-N 253.349 3.982 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)CCC1 571332738 YYBDSABFUGDGFA-GOEBONIOSA-N 269.388 3.952 30 20 CHED C=CCCCCCNc1cc(S(C)(=O)=O)cc(C)c1C 480281261 FLFBBNQLSSXNAX-UHFFFAOYSA-N 295.448 3.865 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(C)cc1Cl 810548149 RUQSTHGJYPSACM-UHFFFAOYSA-N 283.758 3.811 30 20 CHED CC#CCN(C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 577555565 KTJMEQUZAHZWGY-NEPJUHHUSA-N 296.197 3.579 30 20 CHED C=CCC[C@H](C(=O)Nc1cc(CC)n(C)n1)c1ccccc1 817498196 KHOPCEGVOLEFCN-INIZCTEOSA-N 297.402 3.671 30 20 CHED CCC1(CC)CN(C(=O)c2ccc(C#N)o2)c2ccccc21 487673096 LBPXRPKVVPLMMF-UHFFFAOYSA-N 294.354 3.869 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccc3[nH]ccc3c2)cc1 814425474 KEYOGABLQJBFHA-UHFFFAOYSA-N 288.350 3.721 30 20 CHED C=CCCCCOC(=O)[C@H]1CCC(=O)c2ccccc21 811008883 NMJWUIIYXUVEPT-HNNXBMFYSA-N 272.344 3.646 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc(C(C)C)nc2ccccc12 575950752 SULFNIPJLKPOBM-GOSISDBHSA-N 295.386 3.780 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CCC)Cc1ccccc1 815337243 FWXJQZIZDDFZNV-AWEZNQCLSA-N 281.346 3.725 30 20 CHED C/C(=C\C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 728624004 UHLNGEOHTRBGLY-UKTHLTGXSA-N 295.313 3.844 30 20 CHED Cc1ccc(C)c(NN=C2COc3ccccc32)c1 814753118 GESSXKOSJIFYQS-UHFFFAOYSA-N 252.317 3.512 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@@H]4[C@@H](C3)C4(C)C)c2c1 488058379 QDNWYATUDRYBHD-HUUCEWRRSA-N 277.371 3.507 30 20 CHED C=CC(C)(C)c1nc([C@@H]2CCc3ccccc3C2)no1 651246039 PQBDIJAUFNRZFD-CQSZACIVSA-N 268.360 3.806 30 20 CHED CCC/C=C/C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813216380 QFIUMEHYPWMZGG-SGUJLRQBSA-N 282.265 3.633 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccc(C#N)c(Cl)c1 726435267 DGUQZFGAUDPAHF-UHFFFAOYSA-N 293.823 3.806 30 20 CHED CC(C)OCCON=C1CCC[C@@H]1Cc1ccccc1 812238824 FXASKNWWVQBYRR-MRXNPFEDSA-N 275.392 3.827 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)[C@H]2C[C@@H]2C2CC2)s1 572461477 UZQSQKYHHZPNAW-NEPJUHHUSA-N 288.416 3.902 30 20 CHED CN(C(=O)c1ccc2c(c1)CCC=C2)c1ccc(C#N)cc1 577774922 DVVHHVYSQIINQX-UHFFFAOYSA-N 288.350 3.794 30 20 CHED C=CCCn1cc(CN[C@H](C)c2cccc(C3CC3)c2)nn1 653712175 ONAIORZDOYLOSH-CQSZACIVSA-N 296.418 3.582 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2ccc(OC)cc21 653766355 YSUHNRIATFGOMW-NVXWUHKLSA-N 299.414 3.682 30 20 CHED Cc1cccc([C@H](C)CNC(=O)[C@@]2(C#N)CC23CCCC3)c1 572233272 RYJDJGMYZNKRPP-BEFAXECRSA-N 296.414 3.689 30 20 CHED CC(C)Oc1ccccc1C[S@](=O)CCC(C)(C)C#N 583906599 KLTNGRQXLQGBJL-HXUWFJFHSA-N 293.432 3.662 30 20 CHED CS[C@@H]1CCCC(=NNc2ccc([N+](=O)[O-])cc2)C1 901119281 MKHTWWLPUDJFMZ-CYBMUJFWSA-N 279.365 3.668 30 20 CHED CC(/C=C\C(=O)c1cncs1)=C/c1ccccc1 735793434 YTHCFYKNEYGMMQ-JNWHFCKMSA-N 255.342 3.986 30 20 CHED CCCCN(CC)Cc1cc(C#N)ccc1Br 492417079 MTUNYJDDMJSOJY-UHFFFAOYSA-N 295.224 3.943 30 20 CHED C=CCC1(N[C@@H]2CCC[C@@H](C(C)C)C2)CCOCC1 668551243 IHNODRPTFFKHDS-HZPDHXFCSA-N 265.441 3.916 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)O 901689915 HZFADKKSYCDEQF-ZNMIVQPWSA-N 281.440 3.990 30 20 CHED CC(C)(CN[C@@H]1CCc2ccc(C#N)cc21)C1CCOCC1 903243363 AWPIFNWIPUZCBK-GOSISDBHSA-N 298.430 3.588 30 20 CHED Fc1cccc2c1CC[C@@H]2NN=C[C@@H]1CC=CCC1 835021756 ZBTLDDDYSZLRGI-WBMJQRKESA-N 258.340 3.745 30 20 CHED Clc1ccc(CCCON=C2CCCOCC2)cc1 588399046 QOESKOGTWVHXFW-UHFFFAOYSA-N 281.783 3.846 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1c(F)cccc1F 494729598 OCOKSGLGNKNKDP-NEPJUHHUSA-N 294.345 3.776 30 20 CHED CCO[C@@H]1CC(=NNc2cc(F)cc(F)c2)C1(C)C 736429564 BAAUDNBUJSAGAH-CYBMUJFWSA-N 268.307 3.568 30 20 CHED C[C@H](C(=O)N(O)Cc1cccc2ccccc12)C(F)(F)F 904171737 SFFJELBZTDPHOU-SNVBAGLBSA-N 297.276 3.756 30 20 CHED N#CCOc1cccc(/C=C2\Cc3c(F)cccc3C2=O)c1 730149901 LWBUBOICECKMLK-UKTHLTGXSA-N 293.297 3.550 30 20 CHED Fc1cc(Cl)ccc1NN=C1CCC12CCOCC2 901317588 KCQPTYAJXIPKDX-UHFFFAOYSA-N 282.746 3.838 30 20 CHED COc1c(C)cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1C 839051299 DHYZXFHAHJMYGN-HIFRSBDPSA-N 287.359 3.551 30 20 CHED COc1ccc(C(C)=NOCc2ccccc2)c(OC)c1 839418447 SDVFTFOOWFWORA-UHFFFAOYSA-N 285.343 3.645 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 835062940 GTCOPUQHKLQKHH-VNQPRFMTSA-N 298.386 3.550 30 20 CHED C[C@](C#N)(NC(=O)CCCC1CC1)C1CCCCC1 589785230 RSIPTYMPFAKBLH-MRXNPFEDSA-N 262.397 3.545 30 20 CHED FC(F)(F)Oc1ccc(CON=C2CCC2)cc1 735490000 OOOHELQDHBQWLM-UHFFFAOYSA-N 259.227 3.642 30 20 CHED C=CCC[C@H](NC[C@H](O)CCc1ccccc1)c1ccco1 583016250 PQEOVDDORSFFQI-MSOLQXFVSA-N 299.414 3.870 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 736399730 AWTMCTJRCYGEMJ-GFCCVEGCSA-N 292.810 3.678 30 20 CHED C=C(CNC(=O)N[C@H](C)c1ccsc1)c1ccccc1 673060976 ABKHFRUZAPUNBL-CYBMUJFWSA-N 286.400 3.822 30 20 CHED CCc1ccc(CON=Cc2ccccc2OC)cc1 735304104 FRHWHZDUUMZKGR-UHFFFAOYSA-N 269.344 3.808 30 20 CHED CC1(C#N)CCC(=NNCCCOc2ccccc2)CC1 834957529 ZCTOBDZRJZETNJ-UHFFFAOYSA-N 285.391 3.505 30 20 CHED COc1ccc2c(c1)C(=NNc1ccccc1F)CC2 747630236 RLAHDPYLPGQKMY-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C#CC1CCN(C(=O)Nc2ccc3occ(C)c3c2)CC1 831695840 ZCGSTCCUONNVLB-UHFFFAOYSA-N 282.343 3.618 30 20 CHED C[C@H](CCC#N)Sc1ncc(-c2ccccc2)[nH]1 591124892 OOQHHVXKUJWCDX-LLVKDONJSA-N 257.362 3.861 30 20 CHED CCCCO[C@H]1CC(=NNc2cncc(Cl)n2)C1(C)C 747630023 OWOMDFNSGJNUCW-NSHDSACASA-N 296.802 3.513 30 20 CHED N#CCc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 595785333 DPGRSWNQPTZAEL-MOPGFXCFSA-N 298.430 3.534 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)O[C@H]1CCC[C@@H](C#N)C1 842819749 YTDDPWQWXMINNH-ZOBORPQBSA-N 263.381 3.684 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)CC1(C#N)CCCCC1 597304106 MXFIMGNMDHLSRZ-KGLIPLIRSA-N 264.413 3.791 30 20 CHED CCC(=NNc1cc(C)nc(C)n1)c1cc(F)ccc1F 743438097 QTDBJEWLWGSDAJ-UHFFFAOYSA-N 290.317 3.598 30 20 CHED C=C(C)[C@H](NC[C@H](O)C(C)(C)C)c1ccc(F)c(F)c1 676495817 MNQCVUDWHCVNJV-GJZGRUSLSA-N 283.362 3.579 30 20 CHED COc1cc(F)ccc1NC(=O)CC1(C#N)CCCCC1 596754198 YGDQSLRNVWEHFO-UHFFFAOYSA-N 290.338 3.637 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C/c1c(O)cccc1OC 749929811 FRONNWANSLYPCQ-WKWOKDBHSA-N 293.432 3.884 30 20 CHED CCc1nc(SCC2(CC#N)CC2)c2ccccc2n1 594904333 IENCAHFFICHTJT-UHFFFAOYSA-N 283.400 3.978 30 20 CHED CC(=NNCC(F)F)c1cc(Cl)ccc1Cl 740618391 XBEWRHRLHIVTGN-UHFFFAOYSA-N 267.106 3.572 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1C)C2 747441573 WGVWEUIUMKHNNO-DHDCSXOGSA-N 264.324 3.826 30 20 CHED C#C[C@H](OC(=O)C12CCC(CC1)C2)c1ccc(F)cc1 842406304 AWCAQRHIPJUDDC-VXKCQOAXSA-N 272.319 3.624 30 20 CHED Cc1ccc(C=NOCC(F)(F)F)c(Cl)c1 844585592 FYUKXNLGDICJOS-UHFFFAOYSA-N 251.635 3.561 30 20 CHED N#Cc1c(F)cccc1-c1cccnc1OCC1CC1 596639077 IYXUYMMKYCXWMR-UHFFFAOYSA-N 268.291 3.548 30 20 CHED CSc1c(F)cccc1NC(=O)N(C)CC(C)(C)C#N 596972576 AVQUFRZRYJYCTO-UHFFFAOYSA-N 295.383 3.561 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)nc1)CC2 749006344 TUZCJXOXANIZOW-JYRVWZFOSA-N 299.757 3.956 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/CCc2sccc2C1=O 849245110 DFJVRPUPBSSPGW-FLIBITNWSA-N 284.384 3.572 30 20 CHED C=C(C)CNC(=S)N1CCCCC[C@@H]1CC(C)C 740769561 YDRIGUDNRWAXHF-CQSZACIVSA-N 268.470 3.728 30 20 CHED CC(C)CO[C@@H]1CC(=NNc2ccc(Cl)nc2)C1(C)C 743450075 KVUNUZODKDHQAB-CYBMUJFWSA-N 295.814 3.974 30 20 CHED Cc1cc(C)c2c(c1)CC[C@H]2NCC(C)(C)CC#N 594516933 HSCBNXBOTBEVNI-OAHLLOKOSA-N 256.393 3.820 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(Cl)cc1SC 596968029 SIEPUNSBVNGWEL-SNVBAGLBSA-N 297.811 3.876 30 20 CHED Cc1ccc(-c2cc3c(c([C@H](C)O)c2)OCC3)c(C#N)c1 844232335 NEMJKNAEVZHKTH-LBPRGKRZSA-N 279.339 3.522 30 20 CHED CCc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1O 848893044 NWQAZJZNXDNAMC-CYBMUJFWSA-N 280.371 3.677 30 20 CHED CCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916627196 DTGGKEVHDXHNSP-LBPRGKRZSA-N 270.357 3.705 30 20 CHED CN(C)C(=O)c1ccccc1/C=C1/CCCC(C)(C)C1=O 841485480 LQWANBBWJVRKSN-OWBHPGMISA-N 285.387 3.551 30 20 CHED C#C[C@@H](OC(=O)c1ncsc1C(C)C)c1ccccc1 842391063 GINILSXYYZCKGS-CYBMUJFWSA-N 285.368 3.798 30 20 CHED Cc1cccc(C2(C(=O)N3CCC[C@H](CC#N)C3)CCC2)c1 597914162 DAZGZEXRBFPZGT-MRXNPFEDSA-N 296.414 3.569 30 20 CHED C[C@@](Cc1ccccc1)(NC(=O)CCCCCC#N)C1CC1 590888652 NUISZPLGKLKUOR-IBGZPJMESA-N 298.430 3.988 30 20 CHED C=CCN(C(=O)Nc1ccc(F)c(F)c1F)C(C)C 916706032 AMSQPZWIBUIVJQ-UHFFFAOYSA-N 272.270 3.532 30 20 CHED O=C(O)c1cc(NN=C2CCC[C@@H]3C[C@H]23)ccc1Cl 841601979 AVOLULGZFKCZKD-SCZZXKLOSA-N 278.739 3.626 30 20 CHED C[C@@H](C#N)OC(=O)C[C@H](C)c1ccccc1C(F)(F)F 745222856 NFIXTZHSYYMTEY-UWVGGRQHSA-N 285.265 3.654 30 20 CHED N#CCC1(CNc2cc3c(cc2Cl)OCCCO3)CC1 849313459 ZUBIRCAFDBZMDS-UHFFFAOYSA-N 292.766 3.607 30 20 CHED C=C(Cl)CNc1cc(OC)cc(OC)c1Cl 849316779 AXRAAPCFORGRHN-UHFFFAOYSA-N 262.136 3.522 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1nc2ccccc2s1 748313457 QEMVIQAQWMRBNV-NSHDSACASA-N 274.389 3.830 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)CCO2 840784549 CEJBOCZSPNYCJO-HNNXBMFYSA-N 272.392 3.602 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)[C@H]1C[C@H]2C=C[C@H]1CC2 842530856 BOMDGGYFKYEBGI-CAOSSQGBSA-N 276.424 3.512 30 20 CHED COc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1O 921263365 BWSQDKHEGRFUFD-ZSOIEALJSA-N 280.323 3.532 30 20 CHED Cc1ccccc1CCCOC(=O)c1ccccc1CC#N 753446437 XWQVVDKEPNRUHD-UHFFFAOYSA-N 293.366 3.851 30 20 CHED N#CC[C@@H]1CCCN(Cc2nc(Cl)ccc2Cl)C1 852319927 TYFVBUCTFPYNTO-JTQLQIEISA-N 284.190 3.514 30 20 CHED C/C(=C\C(=O)N[C@]1(C#N)CCC[C@H](C)C1)c1cccs1 857599498 PFFGEBVYPCKJQS-DSZKDISBSA-N 288.416 3.740 30 20 CHED CCOC(=O)C[C@@H](/N=C\c1ccccc1O)c1ccccc1 920833300 FZLIFMVLEHLDEW-YZYPPFLQSA-N 297.354 3.506 30 20 CHED COCC(=NNc1ccnc2cc(Cl)ccc12)C1CC1 754254450 LYMDOXZJPVHTSO-UHFFFAOYSA-N 289.766 3.713 30 20 CHED CC(C)[C@@H](CC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 928224273 JIQLOGKVBJGCJB-DOTOQJQBSA-N 284.403 3.578 30 20 CHED CC(C)(C#N)C[C@H](O)CNc1ccc2ccccc2c1 857238494 SDMIWNTZVLASEK-INIZCTEOSA-N 268.360 3.552 30 20 CHED C#C[C@@H](OC(=O)CC[C@@H]1CC1(Cl)Cl)c1ccccc1 851086695 PFVIZSHRBQNOAG-CHWSQXEVSA-N 297.181 3.878 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1CN(C)C 921207822 KKDDYPPPRKACBR-INIZCTEOSA-N 282.472 3.680 30 20 CHED COC(=O)CCC(C)=NNc1cc(Cl)ccc1Cl 756895249 JSVLUUXDKBSCLO-UHFFFAOYSA-N 289.162 3.734 30 20 CHED CCCc1nc(C)c(CON=Cc2ccc(C)cc2)o1 853644033 ACDAFAATOSNEGL-UHFFFAOYSA-N 272.348 3.795 30 20 CHED N#CCC1(CSCC[C@@H]2CC2(Cl)Cl)CC1 853776377 PLIUREHJRXHFNH-SECBINFHSA-N 264.221 3.997 30 20 CHED C#CC[C@@H](NC(=O)c1cc(C)cc(F)c1)c1ccccc1 757597044 JINXJEUGRBSYRN-QGZVFWFLSA-N 281.330 3.629 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc2oc(N(C)C)nc2c1 926094936 WFBDBTKTEVMCGU-LLVKDONJSA-N 286.379 3.634 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(N)c(C)c1 850777377 LWNBOZIQXAABHG-UHFFFAOYSA-N 275.396 3.787 30 20 CHED CCSc1ccccc1C(C)=NNc1cc(C)ncn1 759667382 SGEPXEQEFYEBNO-UHFFFAOYSA-N 286.404 3.733 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(C)cc2)c1O 920942456 CQFLLKCTAWBTAC-PDGQHHTCSA-N 269.344 3.718 30 20 CHED C=CCC[C@@H](OC(=O)c1coc(-c2cccnc2)n1)C1CC1 850904780 QFHUTRZFLIGVCS-OAHLLOKOSA-N 298.342 3.638 30 20 CHED CCCCCCCCNC(=O)N1CCC(NC(C)C)CC1 755075024 LDIUMYIEBJXQAY-UHFFFAOYSA-N 297.487 3.519 30 20 CHED C=C[C@@H](OC(=O)c1cnc(C(C)(C)C)nc1)c1ccccc1 851452494 TWGDBNIRCKKEDL-OAHLLOKOSA-N 296.370 3.858 30 20 CHED C#CCCCCNC(=O)N1CC=C(c2ccc(C)cc2)CC1 758887088 YNVFAYFRUHSBRA-UHFFFAOYSA-N 296.414 3.597 30 20 CHED C=CCCCCNC(=O)c1ccsc1C(F)F 935436860 CQBZOYUMFMJDDW-UHFFFAOYSA-N 259.321 3.772 30 20 CHED CC(Cc1ccc2c(c1)CCCC2)=NOC[C@@H]1CCOC1 853337113 WEFIROGXNKSOGL-MRXNPFEDSA-N 287.403 3.537 30 20 CHED Cc1ncc(CO)c(C=Nc2cccc3ccsc23)c1O 751524115 RDNJZQWOUFWJEK-UHFFFAOYSA-N 298.367 3.553 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 934212157 MYDZDQSOXHJXLF-OLZOCXBDSA-N 290.363 3.683 30 20 CHED CC(=O)c1ccc(OC(=O)c2ccc(Cl)c(C#N)c2)cc1 753996217 ROVZBQOXWWWNRQ-UHFFFAOYSA-N 299.713 3.633 30 20 CHED C#CC[C@@H](NC(=O)c1cnc(C(C)C)s1)c1ccccc1 757582130 ZRUKIXNOAIYPLM-CQSZACIVSA-N 298.411 3.761 30 20 CHED C#C[C@@H](CC)NC(=O)N(CC=C)Cc1ccc(Cl)s1 854071224 ZJQJXMWEHLQWIT-NSHDSACASA-N 296.823 3.511 30 20 CHED CON=Cc1c(-c2ccccc2)n(C)c2ccccc12 767491594 OYFLEVVYIJAFFU-UHFFFAOYSA-N 264.328 3.826 30 20 CHED Oc1ccc(Cl)cc1/C=N\[C@H]1CCC(F)(F)C1 763095077 ACFHRYBHOCAVBJ-QOZZSIDGSA-N 259.683 3.652 30 20 CHED COc1ccc(CNN=C2CC[C@@H]2c2ccccc2)cc1 769780847 SQFNCVIVKJIYNP-QGZVFWFLSA-N 280.371 3.718 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cncc(C)c1 767352334 RCFMGEKYWAXHRS-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cn(-c2ccccc2)nc1C 935309466 CCKZPEXXEFRAPI-AWEZNQCLSA-N 283.375 3.722 30 20 CHED C#C[C@H](C)N(C)Cn1c(=S)oc2ccc(Cl)cc21 766666368 QYUJHDDYQCBJMW-VIFPVBQESA-N 280.780 3.528 30 20 CHED Clc1ccc(Cl)c(NN=C2CCN3CCC[C@@H]23)c1 765582297 WEJFXWDGBROUEI-ZDUSSCGKSA-N 284.190 3.629 30 20 CHED C#CCCCNc1ccccc1N(C)C1CCCC1 766723731 DRUZKNYHKMAXGO-UHFFFAOYSA-N 256.393 3.891 30 20 CHED CCCCCCCOc1ccccc1C(=O)N(C)C 764561426 NJUNZVIPBJFKCQ-UHFFFAOYSA-N 263.381 3.738 30 20 CHED Cc1cc(C=NNc2ccc(Cl)nc2)cnc1Cl 760260233 LSJPNXLVANJLDI-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C[C@H](c1noc(Cc2ccc(OCC#N)cc2)n1)C(C)(C)C 762153434 YXBCZICFHDUOLO-GFCCVEGCSA-N 299.374 3.712 30 20 CHED C=C1CCN(C(=O)Nc2sc(C)nc2CC(C)C)CC1 864252883 JQYMRTRMRFIBBP-UHFFFAOYSA-N 293.436 3.834 30 20 CHED Fc1ccc(NN=Cc2cccc(-n3cccn3)c2)c(F)c1 760215403 HHLHOLRGQADZSI-UHFFFAOYSA-N 298.296 3.597 30 20 CHED CON=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 767478188 PGFLGIXSTWGCRJ-UHFFFAOYSA-N 295.317 3.659 30 20 CHED C=CCCOCCCCC(=O)O[C@H]1CCC[C@H](C)C1 776083509 XGVUUDPDZPOARN-GJZGRUSLSA-N 268.397 3.871 30 20 CHED C=CC(C)(C)CC(=O)N(CCC)Cc1ccc(C#N)cc1 878157655 JOQPLKGUTAHEFP-UHFFFAOYSA-N 284.403 3.899 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](c2ccccc2OC)C1 878914987 NIZFIKZJBUNTEW-AWEZNQCLSA-N 287.403 3.613 30 20 CHED C#CCCCOC(=O)c1ccnc(SC(C)(C)C)c1 778861185 COKDKGYCSRIAKT-UHFFFAOYSA-N 277.389 3.542 30 20 CHED N#CC1(CSc2nc3ccc([N+](=O)[O-])cc3s2)CC1 777889623 LOULOXHJFANYQX-UHFFFAOYSA-N 291.357 3.600 30 20 CHED CCC(Cc1ccccc1)=NOCCC(F)(F)F 777459862 MQRFEWRDUUOZPL-UHFFFAOYSA-N 259.271 3.964 30 20 CHED C#Cc1cccc(CNCc2nc3c(s2)C[C@@H](C)CC3)c1 1117747888 LPTXELLZHLSMQO-ZDUSSCGKSA-N 296.439 3.539 30 20 CHED Cc1coc2ccc(NC(=O)C#Cc3ccccc3)cc12 775446925 FERXDAMJQADZQA-UHFFFAOYSA-N 275.307 3.731 30 20 CHED CC(C)c1ncc(C=NNc2nccnc2C(C)C)s1 773092115 YZUJPZXPQPPCSK-UHFFFAOYSA-N 289.408 3.626 30 20 CHED COc1ccc2c(c1)CC(=NOCCC(F)(F)F)CC2 777462532 DCUFETWTBHMACY-UHFFFAOYSA-N 287.281 3.509 30 20 CHED C[C@@H](NCc1cccc(Cl)c1O)c1cccc(C#N)c1 776218406 IMYSHPAINXCGLS-LLVKDONJSA-N 286.762 3.768 30 20 CHED C#CCCCCCc1nc(-c2ccccc2C)no1 779741182 BEWSFTOFZBWTSO-UHFFFAOYSA-N 254.333 3.781 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc2c1CN(CCC)C2 878679219 WEHQYOPQWLJCFK-UHFFFAOYSA-N 286.419 3.953 30 20 CHED CCCCCCCC[C@H](C)CC(=O)NC1=NCCS1 774809997 GJXGLLSUYPJROY-ZDUSSCGKSA-N 284.469 3.982 30 20 CHED C=CCCC[C@@H](C)NC(=O)/C=C/c1cccc(F)c1 775926530 YGCSSEOGJFAZSY-OCHBPSSRSA-N 261.340 3.700 30 20 CHED Cn1ccc2ccc(C(=O)OCC(C)(C)CCC#N)cc21 870340977 KAHMHOFQIGBLBV-UHFFFAOYSA-N 284.359 3.665 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@@H](C)c1ccccc1 773136870 ZSTJZAUQMAGWPJ-ZDUSSCGKSA-N 297.329 3.580 30 20 CHED C=CC[C@H](CO)CNCc1ccccc1-c1ccccc1 774829262 ZCZYEHGHGNTQFF-INIZCTEOSA-N 281.399 3.628 30 20 CHED c1ccc2c(c1)NCCCC2=NOC1CCCCC1 777457368 REUTXTHXZPZWER-UHFFFAOYSA-N 258.365 3.946 30 20 CHED CCc1cnccc1[C@@H](C)/N=C\c1cc(OC)ccc1O 773148209 JILZMSUMSSMMGH-ZDFPAGSVSA-N 284.359 3.538 30 20 CHED COc1cc(NN=Cc2scnc2C)ccc1Cl 788471545 DUDJYYVAUSHNHV-UHFFFAOYSA-N 281.768 3.560 30 20 CHED COc1cc(NN=Cc2ccc(C#N)cc2)ccc1Cl 788468162 QAVGNTGAFDMGMA-UHFFFAOYSA-N 285.734 3.666 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2CCNc3ccccc32)C1 1122062255 LALJJUXOKNQQOQ-HZPDHXFCSA-N 298.430 3.791 30 20 CHED O=C1/C(=C\c2cccc(Cl)c2)Cc2cc(O)ccc21 780187139 BPVMLJGEAYLMOD-SDQBBNPISA-N 270.715 3.868 30 20 CHED N#C[C@@H]1CCCN(Cc2csc(Cl)c2Cl)C1 896502755 GTDUFHBIMJOYAL-QMMMGPOBSA-N 275.204 3.790 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCOc3ccc(F)cc32)CC1 888893400 CQPMUKFQCQFIHD-HNNXBMFYSA-N 289.350 3.512 30 20 CHED C=CCCC[C@H](NCc1cn(CC=C)nn1)c1ccccc1 883230795 QOPPCDGAWDPIMZ-SFHVURJKSA-N 296.418 3.651 30 20 CHED C=CCCN(C)C(=O)/C=C(/C)c1cccc(Cl)c1 786223402 LIHYENUROHIXGS-BENRWUELSA-N 263.768 3.778 30 20 CHED C=C(Cl)CSCc1cc(C(=O)OC)ccc1F 781160833 ZVJVCFGBLLQDDW-UHFFFAOYSA-N 274.744 3.598 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NNc1ccc(C#N)cc1 782224725 BDNTXRQFDWTUTF-UHFFFAOYSA-N 292.317 3.933 30 20 CHED C=C(Cl)CSCCOCC(F)(F)C(F)(F)F 786804437 YPIAJEOHYLJYCP-UHFFFAOYSA-N 284.677 3.686 30 20 CHED COC(=O)[C@@H](C)c1cccc(N[C@@H](C)CC(C)(C)C#N)c1 894903058 PHPZMHUVQGYLAR-STQMWFEESA-N 288.391 3.703 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1F 782342610 QAHKABQPKUGZOR-VQHVLOKHSA-N 286.302 3.826 30 20 CHED C=C(C)CN(CC)C(=S)NCCCCCCSC 782191987 NRGUCWUMFONCGN-UHFFFAOYSA-N 288.526 3.682 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccc(Nc2ccccc2)cc1 788266151 UVKRBWVJIMRLQE-SFHVURJKSA-N 296.370 3.696 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(Cl)c(F)c1 785698145 ZMYZCROEUVFLCG-UHFFFAOYSA-N 268.715 3.572 30 20 CHED C=C1NC(=O)N2[C@@H]3O[C@@H](CN4NN[C@H]1[C@@H]42)[C@H]1OC(C)(C)O[C@H]13 92217672 GETDUDYKIMWLEH-UHFFFAOYSA-N 309.326 -1.197 30 20 CHED C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 94591529 IQUPKHMLULBMGD-NSHDSACASA-N 267.288 3.640 30 20 CHED Cc1cccnc1NN=C1C[C@@H](C)c2c(F)ccc(O)c21 790191036 PLNKIVYSRNZNJL-SNVBAGLBSA-N 285.322 3.558 30 20 CHED Fc1ccc(C(C[C@H]2CCOC2)=NOC2CCCC2)cc1 793039317 MNFQEPFGNBIEKG-CYBMUJFWSA-N 291.366 3.916 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)o1)c1cnc2ccccc2c1 796807520 ZEGTVRGBQHRMNH-LLVKDONJSA-N 292.294 3.617 30 20 CHED Cc1csc(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)c1C#N 1204889153 OGVFNIVFYXQUQY-ZYHUDNBSSA-N 291.420 3.876 30 20 CHED C=C(C)CCN1CCC[C@H]1C[C@@H](O)c1cccs1 274820624 YDCSMBQJNBUHFV-UONOGXRCSA-N 265.422 3.602 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 397597743 DZPKOOPGQKDUNG-JTQLQIEISA-N 254.786 3.527 30 20 CHED N#CCCN(CCCCc1ccccc1)CC1CC1 187113837 LHVAGQCANKUFQN-UHFFFAOYSA-N 256.393 3.635 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNc1cncc(Cl)n1 797401879 OQKZQBCTXAULFD-UWVGGRQHSA-N 266.776 3.744 30 20 CHED COc1ccccc1CON=C[C@H]1CCOc2ccccc21 799117348 IYKYAGFMLAPGIX-CQSZACIVSA-N 297.354 3.764 30 20 CHED C[C@@H]1CSCC1=NNc1ccc(C(F)(F)F)cc1 794921715 DRJALVCPCUUBOS-MRVPVSSYSA-N 274.311 3.856 30 20 CHED CC(C)c1cnc(CN(CCC#N)CC(C)(C)C)o1 733310780 WLJBULQKASYVAR-UHFFFAOYSA-N 263.385 3.560 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)oc1C 799898089 VESHXYPEDYMCHU-JXMROGBWSA-N 269.344 3.859 30 20 CHED C#C[C@H](CCC)NC(=O)C1(c2cccc(F)c2)CCCC1 791746821 XSENFNRPUCGFMQ-MRXNPFEDSA-N 287.378 3.556 30 20 CHED C[C@@H](NN=Cc1cc(O)ccc1Br)C(C)(C)C 793111803 LYBBBLDAGUEVIK-SECBINFHSA-N 299.212 3.513 30 20 CHED C=CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1)C(C)C 798114495 PECPPHSZSTTWPQ-LSDHHAIUSA-N 292.810 3.802 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(-n3cccn3)c2)oc1C 799896450 IIVMLEPZDICNPF-FPLPWBNLSA-N 292.338 3.978 30 20 CHED CC(C)N(CCC#N)Cc1cscc1C(F)(F)F 574090858 ZSKNPVQXEKJKDZ-UHFFFAOYSA-N 276.327 3.891 30 20 CHED Cc1cccc(-c2cccc(C(=O)NC[C@@H](C)C#N)c2)c1 1146978085 JRYAYODJPAJTLQ-AWEZNQCLSA-N 278.355 3.552 30 20 CHED C[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(OCC#N)c1 85097800 GCLUZWATQWXFFB-DVOMOZLQSA-N 258.365 3.826 30 20 CHED Cc1ccc(C)c(-n2ccnc2S[C@@H](C#N)C2CC2)c1 1307270866 LIYYUJQXWDSMGG-HNNXBMFYSA-N 283.400 3.883 30 20 CHED COc1ccc(F)cc1[C@@H](C)Nc1nc(C)cc(C)c1C#N 1317896034 SKYCVVGXIRINMB-GFCCVEGCSA-N 299.349 3.891 30 20 CHED N#Cc1nnc2ccccc2c1N1CC[C@H]2CCCC[C@H]2C1 1318659827 HIFWNHSNQNWYGM-KGLIPLIRSA-N 292.386 3.518 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NCc1cc(C#N)cs1 1178931053 KFPPJPSWAMDVCV-KBPBESRZSA-N 262.422 3.924 30 20 CHED C=C1CC(N(C)Cc2cc3sc(C(=O)O)cc3s2)C1 1776145218 LRMNSFVZUWKBPB-UHFFFAOYSA-N 293.413 3.811 30 20 CHED CC(C)C[C@@H](C)Cc1nnc(-c2ccc(C#N)cc2)o1 1328347663 JBALUVTYPKESSS-GFCCVEGCSA-N 269.348 3.833 30 20 CHED C=C[C@@H](COC)Nc1nc2cc(Cl)cc(Cl)c2o1 1322286083 JLVKQAWRDMZCJM-QMMMGPOBSA-N 287.146 3.748 30 20 CHED C=C[C@H](COC)NC(=O)N(c1ccccc1)c1ccccc1 1321239302 HXSIRDBHFIDLHX-OAHLLOKOSA-N 296.370 3.735 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(-c2ccco2)s1 1337581627 VADMTANCBGHUOW-LLVKDONJSA-N 288.372 3.772 30 20 CHED CCCSCC(=O)N(c1ccccc1C#N)C1CCC1 1331445513 GBWIZFCZBTVHRE-UHFFFAOYSA-N 288.416 3.587 30 20 CHED COCCN(CCCC1CCC1)Cc1ccc(C#N)cc1 1190801294 HEPXELDOPJOLGQ-UHFFFAOYSA-N 286.419 3.587 30 20 CHED N#Cc1cccc(N(C(=O)C2CCCC2)C2CCC2)c1 1262100941 IMKCWKLFWPPKJG-UHFFFAOYSA-N 268.360 3.634 30 20 CHED Cc1cc(-c2noc(-c3cccc(C#N)c3C)n2)ccc1O 1261163144 ICHHQPJBHKSBHC-UHFFFAOYSA-N 291.310 3.598 30 20 CHED CC(C)Cc1ccc(C(=O)[C@@H](C#N)c2ccccn2)s1 1342707242 MHJDUXJHIZLEPA-ZDUSSCGKSA-N 284.384 3.832 30 20 CHED C=C(CC(C)C)C(=O)N1CC(C)(C)[C@H]1c1ccco1 1347143306 OVNXSXQERAGXME-CQSZACIVSA-N 261.365 3.791 30 20 CHED CCCC[C@H](CC)CC(=O)N1CCCc2nc(C#N)ccc21 1277879291 ZHHGSVKGFZWVMD-AWEZNQCLSA-N 299.418 3.839 30 20 CHED Cc1ccc(C(=O)N[C@H](C)CCC(C)(C)C)cc1C#N 1360747135 JDPGLDINJODNKA-CYBMUJFWSA-N 272.392 3.811 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1518213417 QYMYWSGCHHLHJW-ZENOOKHLSA-N 271.360 3.989 30 20 CHED CC/C(C)=C/C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1517123636 MDQKALJLWFPQPT-PCYYEKQGSA-N 287.750 3.749 30 20 CHED C[C@@H](OC(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1cccc(C#N)c1 1525572274 RZYNHDZIJIRMAV-MEYUZBJRSA-N 269.344 3.599 30 20 CHED CC(C)[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1523369664 FBDAJCZTLJRUQX-QGZVFWFLSA-N 296.345 3.824 30 20 CHED CCC[C@H](C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1524696305 QWAFWXZUBHEQRU-GJZGRUSLSA-N 296.345 3.981 30 20 CHED Cc1c(Cl)cnc(NCC(C2CC2)C2CC2)c1C#N 1612055281 YEDZJXOWRXBUCT-UHFFFAOYSA-N 275.783 3.763 30 20 CHED C[C@@H]1Cc2ccccc2N(CCc2ccc(C#N)cc2)C1 1473153068 TZJKYCIMSRLJRE-OAHLLOKOSA-N 276.383 3.800 30 20 CHED N#Cc1ccccc1OC[C@@H]1CCC2(CCCCC2)O1 228019537 JIRVWOZTLXJCIT-HNNXBMFYSA-N 271.360 3.819 30 20 CHED Cc1cc(C#N)cc(NCc2nc3ccccc3nc2C)c1 1560884058 NFAHHPCPXOIURA-UHFFFAOYSA-N 288.354 3.730 30 20 CHED CCN(Cc1ccccc1Cl)c1cc(C)c(C#N)cn1 1650622689 PSMXVZCYQIHTFD-UHFFFAOYSA-N 285.778 3.942 30 20 CHED Cc1cccc(C)c1CCNc1cccc(F)c1C#N 1651619614 CSLVGJHCNOAMDF-UHFFFAOYSA-N 268.335 3.969 30 20 CHED N#Cc1cnc(N(CC2CC2)C2CCCCC2)c(F)c1 1655095021 BSCXKSKYFAYAKK-UHFFFAOYSA-N 273.355 3.641 30 20 CHED CCSc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 1583421122 IECUQYIITDQYJH-UHFFFAOYSA-N 296.395 3.600 30 20 CHED Cc1csc(NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c1C#N 1671656413 OQUSBIZRPNETBQ-CMPLNLGQSA-N 291.420 3.874 30 20 CHED O=C(O)c1cc(NN=C2CC[C@@H]2C2CCC2)ccc1F 1776063322 MAGCOFFXIXMWTQ-LLVKDONJSA-N 276.311 3.502 30 20 CHED O=C(O)/C=C\c1ccc(/C=C2/Cc3ccccc3C2=O)cc1 1777623285 AAAMXDHZTLPZOV-YIEJYADJSA-N 290.318 3.607 30 20 CHED O=C(O)Cc1ccc(NN=C/C=C\c2cccc(F)c2)cc1 1776085946 TYPLCSQJJUHEJK-SNJWDDIRSA-N 298.317 3.564 30 20 CHED Cc1cc(NN=Cc2csc(C(=O)O)c2)ccc1Cl 1776105178 RHLKOIXKGIBBNK-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2cc(C)cc(C)c2)C1 1776160777 IGVGEZPIVVFOQU-SFHVURJKSA-N 287.403 3.546 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cccc(C(=O)O)c1F 1777465342 SXENEUXZXHTKOA-MDZDMXLPSA-N 284.286 3.728 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1CC=CCC1)c1ccccc1 160704079 NEFTUXMJDVJGGI-CVEARBPZSA-N 269.388 3.819 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)c1ccc(Br)cc1 163004857 GWUZZVVQPOHZQH-MNOVXSKESA-N 296.208 3.633 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](C)[C@@H](CN)C1 163709615 FGOOZANNEGWMOG-CVEARBPZSA-N 282.472 3.570 30 20 CHED C[C@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C1 151309000 OCWDFCUJKPQZDE-UXLLHSPISA-N 299.418 3.861 30 20 CHED CCN(C(=O)[C@H](C)c1ccccc1F)c1ccc(C#N)cc1 152298672 RSTSMSMXEQYKQJ-CYBMUJFWSA-N 296.345 3.854 30 20 CHED N#CCC[C@@H](NC(=O)Cc1ccccc1F)c1ccccc1 153455846 WXYDCXJMQLKLAW-QGZVFWFLSA-N 296.345 3.529 30 20 CHED C=CCN(C)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 157280698 GMNVITRRQFPVGD-UHFFFAOYSA-N 287.388 3.768 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccccc1)C(F)(F)F 157372688 VIGLVSVPZCUGFA-GFCCVEGCSA-N 286.297 3.508 30 20 CHED C=C(C)COc1cc(CNc2ccc(C)cn2)ccc1OC 157458653 XXPJTBUHXPOCLN-UHFFFAOYSA-N 298.386 3.966 30 20 CHED COc1ccccc1N[C@H](C)c1ccc(C#N)cc1 19901861 WPPAEEXWPYJIOH-GFCCVEGCSA-N 252.317 3.740 30 20 CHED C#Cc1cccc(CNCc2cnc(C(C)C)s2)c1 825226136 DJRIEIOIPOZTFT-UHFFFAOYSA-N 270.401 3.538 30 20 CHED CC(C)(C)C1CCN(Cc2ccc(F)cc2C#N)CC1 1141164173 NRPUCNPAWKRQRQ-UHFFFAOYSA-N 274.383 3.955 30 20 CHED N#Cc1cccc(OCCCOc2cccc(F)c2)c1 34675001 VGFYVJCCEZTECB-UHFFFAOYSA-N 271.291 3.545 30 20 CHED COc1cccc(CNc2ccc(C#N)c(Cl)c2)c1 37389980 RFUKSWBZGUXUFK-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@@H](Nc1ccc(CC#N)cc1)c1cccc(C#N)c1 37302017 PXXYMIAQGGHBRO-CYBMUJFWSA-N 261.328 3.797 30 20 CHED Cc1cc(C)c(C#N)c(N(C)Cc2ccccc2C)n1 42293773 RTQTVUFQTUHAST-UHFFFAOYSA-N 265.360 3.515 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(SC)cc1 281047539 JUJVMOPNDQQHHD-LBPRGKRZSA-N 275.417 3.635 30 20 CHED N#Cc1ccc(CN2CCC3(CCCC3)CC2)c(F)c1 62953860 NVTISMGBBZJDGU-UHFFFAOYSA-N 272.367 3.854 30 20 CHED CCN(Cc1ccc(C#N)c(F)c1)c1ccccc1 404249936 ISSJHPBURGMUJQ-UHFFFAOYSA-N 254.308 3.724 30 20 CHED Cc1nc(C#N)n(Cc2csc(C3CCCC3)n2)c1C 603351116 YECLTCOXJRIZSQ-UHFFFAOYSA-N 286.404 3.534 30 20 CHED C=CCN(CCOC)Cc1ccc(C2CCC2)cc1 353198801 IAGUHEHNOHOMKY-UHFFFAOYSA-N 259.393 3.589 30 20 CHED N#CCc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 313430452 UGDAKJGNXZQLDB-FXXCCUJSSA-N 266.388 3.989 30 20 CHED CC[C@@](C)(CNc1cccc(OCCCC#N)c1)OC 319267294 GUTCPPLFLJBSQX-INIZCTEOSA-N 276.380 3.596 30 20 CHED C=CC[C@@H]1CCCN(c2cc(C#N)ccc2C(C)=O)C1 664254416 CKTIZYHQVTYUBN-CQSZACIVSA-N 268.360 3.553 30 20 CHED N#C[C@H](/N=C(/O)[C@@H]1CC12CCCC2)C1CCCCC1 328983597 FSAFJNFNWFJCNP-KBPBESRZSA-N 260.381 3.996 30 20 CHED CCC1(C)CCN(c2ncc(C#N)cc2Cl)CC1 339133744 PAUYHZCLPMNPPA-UHFFFAOYSA-N 263.772 3.623 30 20 CHED C=CCCCCCCNC(=O)C1(C#N)CCCCC1 382142979 FQWSYJQTGHCWHG-UHFFFAOYSA-N 262.397 3.713 30 20 CHED CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 7240347 MNJWMHOCWZOYAO-CYBMUJFWSA-N 293.370 3.560 30 20 CHED Cc1cc(C)cc(NC(=O)CCc2ccc(C#N)cc2)c1 10754976 HCVSRYFDQNJXMB-UHFFFAOYSA-N 278.355 3.746 30 20 CHED C=C(C)CN(CC)CCC(=O)Nc1ccc(Cl)cc1F 54424253 IJGIRBHYLPTYOB-UHFFFAOYSA-N 298.789 3.706 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cccc(O)c2)c1 107066891 NGGWZJRIHAKBKE-VOTSOKGWSA-N 252.313 3.905 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCC2(C)C)cc1 175868071 LBIFCFGWJQDUOO-CZUORRHYSA-N 272.392 3.646 30 20 CHED CC/C(=C\C(=O)N[C@@H](C#N)CC)c1cccc(Cl)c1 174271197 MGGYATWTGFCNDP-CFRMROPGSA-N 276.767 3.552 30 20 CHED C[C@@H](NCCCC#N)c1cccc(OCc2ccccn2)c1 179696123 UHTDLTQGMMRKRE-OAHLLOKOSA-N 295.386 3.615 30 20 CHED Cc1ccc(C#N)c(SCc2c(F)cccc2F)n1 113673186 WLJHFYJVNIQSEG-UHFFFAOYSA-N 276.311 3.832 30 20 CHED CC[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(C)cc1 20502495 JVWLTTPVSRXVHQ-GOSISDBHSA-N 277.367 3.614 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 119412378 REWIXKDZTUYGNM-AWEZNQCLSA-N 296.361 3.879 30 20 CHED Cc1cccc2c1OC/C(=C\c1cccc(C#N)c1)C2=O 66407996 ZACNFQRJAQCYFH-OQLLNIDSSA-N 275.307 3.525 30 20 CHED C=C(C)COC(=O)c1cc(Oc2ccccc2)ccn1 174293457 MPDWMRFSOMPSED-UHFFFAOYSA-N 269.300 3.607 30 20 CHED C=CCN[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 179701924 HNLBXVHZTJAKPO-CQSZACIVSA-N 298.386 3.506 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C)c(OC(F)F)c(C)c1 116859438 JWFDLZIYTNPDMP-NSHDSACASA-N 283.318 3.599 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1cccc2ccccc12 69312310 VOIDJBGGFXFEQE-ZDUSSCGKSA-N 270.328 3.726 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC1CCC1)c1ccccc1 175396511 RHEBKXGNUNTCIX-HNNXBMFYSA-N 287.403 3.801 30 20 CHED CCc1oc2ccccc2c1/C=C/C(=O)c1cnccn1 115962006 ALJPIZQHKKOMJB-BQYQJAHWSA-N 278.311 3.681 30 20 CHED CC[C@@H](C#N)OC(=O)c1oc2c(C)ccc(C)c2c1C 175995035 UXFOLOVULSTHMB-LBPRGKRZSA-N 271.316 3.817 30 20 CHED N#Cc1ccc(N2CC[C@H](Nc3ccccc3)C2)cc1Cl 301225744 GEAGVCNRHNXHHE-HNNXBMFYSA-N 297.789 3.902 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 1347326661 KSZKZGLBNVTDEX-CYBMUJFWSA-N 291.391 3.626 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](c1ccccc1)C(F)(F)F 117033794 NZBLAQPALYPEDK-JQWIXIFHSA-N 286.297 3.554 30 20 CHED Cc1cc(O[C@@H](C)C(=O)OCCCC#N)ccc1C(C)C 61726716 FTJVQXNEXPLUEN-AWEZNQCLSA-N 289.375 3.733 30 20 CHED CC(C)(C)c1ccccc1OCCNc1ccc(C#N)cn1 301179925 AOQOHCRYNFXQHY-UHFFFAOYSA-N 295.386 3.742 30 20 CHED CC[C@@H](CNc1ccc(C#N)nc1)c1ccccc1 301576239 MGPUMIPDVAMEDC-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@@H](Cc3ccccc3)C2)nc1 302485675 IBBAZKCYTQTYDI-RDJZCZTQSA-N 277.371 3.777 30 20 CHED N#Cc1nccnc1N1CCc2c(-c3ccccc3)cccc21 302193681 NDGHOZFOFMIRTD-UHFFFAOYSA-N 298.349 3.709 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(SC)cc1 182588618 KRTXXPBUBOQYPV-GFCCVEGCSA-N 263.406 3.883 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1C[C@@H]1c1c(F)cccc1F 302882588 KASVESPANAFRNV-WFASDCNBSA-N 295.292 3.676 30 20 CHED CC[C@H](c1ccccc1)[S@](=O)CCC(C)(C)C#N 123532870 RLUVBKDDRUXFOG-KDOFPFPSSA-N 263.406 3.826 30 20 CHED C#CCOc1ccccc1NC(=O)C(C)=C1CCCC1 187231954 AHDQUTWRLUDOBV-UHFFFAOYSA-N 269.344 3.528 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2ncccc2C#N)C1 77983815 RNGJSVJWACTLPD-HOCLYGCPSA-N 277.371 3.644 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc2cc(OC)ccc2c1 184986070 VJRLCTYGPYLCSI-UHFFFAOYSA-N 295.382 3.514 30 20 CHED CC(C)(C)OC(=O)CS[C@H](C#N)C1CCCCC1 185098053 TYVZWQPFCRZZOH-GFCCVEGCSA-N 269.410 3.534 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 180947904 KJUWTJAQUJRBTK-QWHCGFSZSA-N 287.382 3.935 30 20 CHED N#Cc1ccc(CN[C@@H](Cc2ccccc2)C2CC2)cc1 76903665 VZXKTHPFGYFGER-IBGZPJMESA-N 276.383 3.669 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1ccccn1 123961343 YHCJOVVKGSRFFO-DLBZAZTESA-N 292.382 3.773 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1c(Cl)cccc1Cl 125088717 BLJWGSJZOYWGGA-VIFPVBQESA-N 289.158 3.880 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2ccccc2F)c1 73012301 ZPIIJGKVKRBNFG-MRXNPFEDSA-N 298.361 3.796 30 20 CHED CC[C@@H](CC(C)C)C(=O)NC1(c2cccc(C#N)c2)CC1 410604642 UDOVCCKNMCJQBO-HNNXBMFYSA-N 284.403 3.736 30 20 CHED N#Cc1ccc(NCC2(C#N)CCC2)c(C(F)(F)F)c1 419021407 MBHCOMVMFHXACT-UHFFFAOYSA-N 279.265 3.683 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2ccc(C#N)cc2)C1 507027975 QFYIFNWIOJERNF-MRXNPFEDSA-N 262.356 3.861 30 20 CHED C#CCN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 183351375 AETHNFDNLXGELX-JTQLQIEISA-N 281.199 3.532 30 20 CHED C=CCCC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 122134692 OOTPCDGOVOAUMT-SFHVURJKSA-N 283.346 3.998 30 20 CHED Cc1cc(C#N)ccc1CS[C@H](C)c1cnccn1 186086848 LDCNOHCGTDZHDY-GFCCVEGCSA-N 269.373 3.651 30 20 CHED C=CCNC(c1ccc(OC)cc1)c1ccc(OC)cc1 78321484 SAVQUSFUOZMJAS-UHFFFAOYSA-N 283.371 3.569 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1C)c1cccs1 509573043 SOFPOCBUKHUVSI-AWEZNQCLSA-N 284.384 3.809 30 20 CHED C=CCCCCCN1CCOC[C@@H]1c1ccccc1 488446284 JZRGEZGQSNPVOI-QGZVFWFLSA-N 259.393 3.806 30 20 CHED N#Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 78651855 IXZHOMNDNGIYTP-UHFFFAOYSA-N 296.757 3.631 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H]2CC=CCC2)c1 77442282 FXSURIGFXGCGNR-AWEZNQCLSA-N 286.375 3.872 30 20 CHED N#Cc1cccc(OCCCSCC2(C#N)CCC2)c1 419431507 FOFKHNJQTWSXER-UHFFFAOYSA-N 286.400 3.754 30 20 CHED CCC(CC)(CC)NC(=O)Nc1ccc(CC#N)cc1 156434307 WKBQFHYKVDZZFF-UHFFFAOYSA-N 273.380 3.843 30 20 CHED C=C(C)CN(C)CC(=O)N[C@@H](C)c1cccc2ccccc12 181298931 VVUPHTGPNHLHQU-HNNXBMFYSA-N 296.414 3.525 30 20 CHED C[C@H](NCCCCN1CCCC[C@H]1C)c1ccc(C#N)cc1 181511250 NEWIUGVUFIALQE-SJORKVTESA-N 299.462 3.863 30 20 CHED C=CCSCCNC(=O)[C@@H](CC)CC1CCCC1 508902798 XARRRWBNHWVPED-AWEZNQCLSA-N 269.454 3.628 30 20 CHED N#CCCSCc1csc(-c2ccco2)n1 413011911 KFUYENRECBEMLM-UHFFFAOYSA-N 250.348 3.550 30 20 CHED C=C(C)COc1cccc(N[C@H](C)COC(C)C)c1 500446474 FKQHQUDHFFHYAG-CQSZACIVSA-N 263.381 3.867 30 20 CHED N#CC1(CNC(=O)Nc2cc(Cl)cc(Cl)c2)CCC1 416735115 REXMZYUHHPKCHM-UHFFFAOYSA-N 298.173 3.809 30 20 CHED FC(F)(F)c1ccc(C#CCN[C@@H]2CCC23CCC3)cc1 502450095 BAYMEKREULBUAL-OAHLLOKOSA-N 293.332 3.979 30 20 CHED C=CC[C@@H](C(=O)Nc1ccncc1F)c1ccccc1 188907539 UAVAEQSNOUQTPV-CYBMUJFWSA-N 270.307 3.519 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1CC#N 410829966 SUAKEURAXNZECA-DZGCQCFKSA-N 270.376 3.908 30 20 CHED CC[C@H](CC#N)NC(=O)C(C)(C)c1cccc(Cl)c1F 185932168 YZMTXSSHRCDUGC-SNVBAGLBSA-N 296.773 3.565 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 410721730 YGCNMHVSKDAGQO-BEFAXECRSA-N 298.430 3.626 30 20 CHED Cc1ccc(C#N)c(N2CCC(Cc3ccccc3)CC2)n1 220751111 HSNBVPLSLIYIBF-UHFFFAOYSA-N 291.398 3.721 30 20 CHED N#Cc1cccc(-c2nc(-c3nccc4ccccc34)no2)c1 323278443 HZSPJXCNEMIGGL-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CCCn1c(C)nnc1SCCC1(C#N)CCCCC1 412999428 KWZCEVHMWXPTEZ-UHFFFAOYSA-N 292.452 3.953 30 20 CHED CC(C)N(C)C(=O)[C@H](C)S[C@H](C)c1cccc(C#N)c1 190904347 VZUITOIIIDJTDN-OLZOCXBDSA-N 290.432 3.608 30 20 CHED CCCCCCCCOC(=O)c1cnc(Cl)cn1 43860752 HYNWTJRNEHBKEA-UHFFFAOYSA-N 270.760 3.647 30 20 CHED C[C@@H]1CCCCCN1C(O)=Nc1nccn1-c1ccccc1 328754008 SFAORTIUTPKLMM-CQSZACIVSA-N 298.390 3.682 30 20 CHED OC(=Nc1nnc2ccccn12)[C@@H]1CC[C@H]2CCCC[C@H]2C1 328797734 WBLJSKHNKJERGT-HZSPNIEDSA-N 298.390 3.924 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCOc2ccc3ccccc3c2)C1 192639194 QABQHGBDCASZHS-CRAIPNDOSA-N 294.398 3.891 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1c(C)oc2ccccc12 426226891 JEQICAHJMQOEQP-AWEZNQCLSA-N 298.386 3.991 30 20 CHED CCN(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](C#N)C1 429707768 HLKYEGFTDSTKOG-SWLSCSKDSA-N 262.784 3.854 30 20 CHED CCCNc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 193360836 MWQQFQXLEIHPIO-DOTOQJQBSA-N 271.408 3.680 30 20 CHED COc1ccc2c(c1N=C(O)c1cn(C(C)C)cn1)CCC2 329846051 QOVFYUCNYKFCKD-UHFFFAOYSA-N 299.374 3.598 30 20 CHED C=CCCNc1cccc(C[S@@](=O)c2ccccc2)c1 194733196 CMQZVWLFWMJDLA-HXUWFJFHSA-N 285.412 3.982 30 20 CHED C=CC[C@H](C(=O)NCc1cc(C)nc(C)c1)c1ccccc1 421579982 VHAUOWYDHDYQGN-SFHVURJKSA-N 294.398 3.675 30 20 CHED CCCCN(C(=O)c1cccc(C#N)c1C)[C@@H](C)CC 510472438 GBLQRAJTPPHEMH-ZDUSSCGKSA-N 272.392 3.908 30 20 CHED CSc1ccc(C(=O)N(CC#N)c2ccccc2)cc1 195123136 ZQEMLKKMSQCZRM-UHFFFAOYSA-N 282.368 3.579 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1CCC[C@@H](OC)C1 512778360 FOQVBKRSUFWYEF-JKSUJKDBSA-N 287.403 3.949 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425128871 LDQFUXYEWFRNEE-QBIMZIAESA-N 284.403 3.760 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)c(C)c1 264230356 IFTKPVOCSAJSAQ-UHFFFAOYSA-N 272.392 3.705 30 20 CHED CCC(C)(C)C(=O)COc1ccc(C#N)cc1Cl 381234088 IYIAAFHRYAXKTP-UHFFFAOYSA-N 265.740 3.596 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)Nc2cc(C(F)(F)F)ccn2)C1 331221400 UXNSVGCWKQATDU-SCZZXKLOSA-N 287.285 3.615 30 20 CHED C[C@@H](Nc1ccn(CCC#N)n1)c1ccccc1Cl 86154318 YAVBTPDVXUJOJQ-LLVKDONJSA-N 274.755 3.623 30 20 CHED COc1ccc(Cl)c(NC(=O)c2ccc(C#N)s2)c1 335340075 PRLMXBWYORXFQZ-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC1(NC(O)=Nc2cc(C(F)(F)F)ccn2)CCCC1 331210271 HQRLKBVIEGKRFD-UHFFFAOYSA-N 287.285 3.568 30 20 CHED C=CC[C@H](C)NC(=O)CCCc1cc(C)sc1C 84604731 DGOVCZBZZVZDBH-NSHDSACASA-N 265.422 3.768 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(F)cc1C#N 193709759 UJIFACALIDJECK-XHDPSFHLSA-N 289.354 3.740 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1ccccc1 190349072 LAFFANGFLZAMQM-KRWDZBQOSA-N 259.393 3.683 30 20 CHED C=CCc1cccc(F)c1OCC[C@@H]1CCCO1 424099570 JFKYWRNTKZEMHX-ZDUSSCGKSA-N 250.313 3.502 30 20 CHED Cc1cc(/C(O)=N/CCC#N)c(C)n1C1CCCCC1 330651413 KNKHLFFELNNQPP-UHFFFAOYSA-N 273.380 3.828 30 20 CHED CCc1ncc(CN(C)[C@@H](C)c2cccc(C#N)c2)s1 426625412 ZVLNVPIQNBMAQV-LBPRGKRZSA-N 285.416 3.770 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1ccccc1CC#N 339189364 NTPUMEKOIZNAKA-LBPRGKRZSA-N 276.405 3.613 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@H]1CC[C@@H](C)O1 330099816 ZZKJJGBTQJBJHO-ZWNOBZJWSA-N 285.347 3.541 30 20 CHED O=C(/C=C\c1ccnc2ccccc12)c1ccc(O)cc1 96462920 DMWBPGOSCSNPQG-YFHOEESVSA-N 275.307 3.837 30 20 CHED Cc1c(NC(=O)[C@@]2(C#N)C[C@@H]2C)cccc1C(F)(F)F 336191795 KXAUJPWWFNIRKN-ISVAXAHUSA-N 282.265 3.502 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(F)c2)c(OC)c1 97992975 BVHRCZAYIRZIOP-CLFYSBASSA-N 286.302 3.739 30 20 CHED N#Cc1cccc(NC(=O)/C=C\c2ccc(Cl)cc2)c1 97674135 GPKWBRCQEZEBBE-TWGQIWQCSA-N 282.730 3.864 30 20 CHED CC1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 332470296 RTCWYVCQYDAXMF-GFCCVEGCSA-N 289.404 3.564 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 436094284 RVTLCOKKCWGWOX-ZIAGYGMSSA-N 288.391 3.794 30 20 CHED O/C(Cc1ccon1)=N/[C@@H]1CCCCC12CCCC2 330100772 FBNVZAPVJYNZMD-CYBMUJFWSA-N 262.353 3.677 30 20 CHED C[C@H](NCCSC(C)(C)C)c1ccc(C#N)cc1 266478172 PNYGCBGZIHSXLP-LBPRGKRZSA-N 262.422 3.741 30 20 CHED Cc1ccnc(NC[C@@H]2CCC3(CCCCC3)O2)c1C#N 330098779 ZHHQUAIEABYYAS-AWEZNQCLSA-N 285.391 3.556 30 20 CHED Cc1noc(-c2ccccc2)c1N=C(O)N1C[C@@H]2CCC[C@@H]21 330055616 UREAZQGPGDSYSB-KBPBESRZSA-N 297.358 3.680 30 20 CHED N#CC1(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)CCC1 334195088 JJXHQCWNWIVDTG-IAGOWNOFSA-N 292.382 3.527 30 20 CHED Cc1sc(NC(=O)CC2CC(F)(F)C2)c(C#N)c1C 334517312 DGVBOPYBZOVLKR-UHFFFAOYSA-N 284.331 3.611 30 20 CHED CCc1ccc(Nc2nccc(C#N)c2Cl)cc1 234167913 QZPGCNJULNSGOU-UHFFFAOYSA-N 257.724 3.913 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2C[C@H]2c2cccc(F)c2)n1 432929807 TZHIVDQOTFZPKG-GOEBONIOSA-N 281.334 3.677 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](C)c1cccnc1 340601918 LRAWIRKVPHVMHR-AWEZNQCLSA-N 270.351 3.970 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12 247680675 ZPFBSVGLQWBXAO-ARFHVFGLSA-N 281.440 3.811 30 20 CHED N#Cc1ccc([C@H](O)CN2CCC[C@H]2C2CCCCC2)cc1 246128881 ZIPGLEIVZWJKHQ-RBUKOAKNSA-N 298.430 3.636 30 20 CHED C=CCCN(C)C(=O)c1sc2ccc(F)cc2c1C 342042678 SGUOWFUNLUMOOO-UHFFFAOYSA-N 277.364 3.997 30 20 CHED N#Cc1ccc(CN2CCCCCC2)c(OC(F)F)c1 437433997 KVSDXRRDVNZZDF-UHFFFAOYSA-N 280.318 3.536 30 20 CHED COCc1ccccc1-c1noc(CCCCCC#N)n1 349994360 HOVAONVXVLIQAC-UHFFFAOYSA-N 285.347 3.509 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCc1cccnc1 601687145 BLPXYPVPBZOKBR-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cncc2ccccc12 343494145 QHJHYTQUMBYEOU-CYBMUJFWSA-N 268.360 3.709 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc2[nH]ccc2cc1C 439373556 QCAQIKJMKDSCRO-CYBMUJFWSA-N 271.364 3.953 30 20 CHED CCCCn1ncc(NCc2ccc(C#N)s2)c1C 341305353 OFSRWPLEYJLGJY-UHFFFAOYSA-N 274.393 3.537 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2ccc(C)s2)o1 255757243 SEXRFWFDHHEYSU-ALCCZGGFSA-N 290.340 3.722 30 20 CHED C[C@H](CC1CCOCC1)N[C@@H]1CCCc2cc(C#N)ccc21 341663336 ZUJHYGRYUZJWFX-AUUYWEPGSA-N 298.430 3.730 30 20 CHED C=CCCOCCCCC(=O)Nc1scnc1C1CC1 343046692 SYMPNVMFMKYRNQ-UHFFFAOYSA-N 294.420 3.722 30 20 CHED CC(C)C(=O)Nc1cccc(NC[C@@H](C)CCC#N)c1 602485526 UTOBGIMKIOPSGQ-ZDUSSCGKSA-N 273.380 3.633 30 20 CHED C[C@@H]1c2ccccc2OCCN1Cc1ccc(C#N)cc1 609145469 FASGYXSVVSWZAP-CQSZACIVSA-N 278.355 3.514 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2/C=C/c2cccs2)o1 359864445 BHRNHAVDBYQNTB-OQHXTRMZSA-N 284.384 3.891 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ncsc2C(C)C)n1 355116553 GXCCXCDERYOYCO-SECBINFHSA-N 291.401 3.522 30 20 CHED COCc1ccc(/C=C\C(=O)c2cccs2)cc1 255864396 XJEGEWWAYZSQCT-HJWRWDBZSA-N 258.342 3.791 30 20 CHED Cc1ccc(C[C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c(C)c1 442774588 ZPVJKDXRXMGDHS-ZMSDIMECSA-N 256.393 3.516 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H](C)[C@@H]1CCC)OCC 534424220 DCWGLUDVBKKQRS-PMPSAXMXSA-N 281.440 3.785 30 20 CHED N#Cc1csc(C(=O)NCc2ccc3sccc3c2)c1 356715343 XCTMTYUSTYDNBM-UHFFFAOYSA-N 298.392 3.764 30 20 CHED CC(C)(C)CCCNC(=O)N[C@H]1CCc2cc(C#N)ccc21 618815557 IEDYQCXPBOVJQU-INIZCTEOSA-N 299.418 3.671 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCC[C@H](SCC)C2)CC1 356258612 FLPPLNASGYTQDI-KBPBESRZSA-N 281.465 3.913 30 20 CHED C=CCN(CC=C)C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 443816576 YYGNFKJXIBBIOI-XHSDSOJGSA-N 279.424 3.561 30 20 CHED C=CCN(C(=O)NCc1cccc(Cl)c1Cl)C1CC1 539008662 AZCFDLMBUOEYMY-UHFFFAOYSA-N 299.201 3.853 30 20 CHED Cc1c(CNc2cccnc2C#N)oc2ccc(F)cc12 357177789 WEAJYVZCDHQMLS-UHFFFAOYSA-N 281.290 3.759 30 20 CHED CC1CC(C#N)(C(=O)NCC2(c3ccccc3)CCCC2)C1 532065162 NMZGXZKQZGXCRY-UHFFFAOYSA-N 296.414 3.554 30 20 CHED N#CC1(CN(CCc2ccccc2)C2CCCC2)CC1 539450103 HTVLFIDXDAOAOZ-UHFFFAOYSA-N 268.404 3.777 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1CC1 264537267 LATQKAIOVWXYQG-LLVKDONJSA-N 289.404 3.612 30 20 CHED C[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 611391949 BOVBRQHRKXYQHT-YVEFUNNKSA-N 254.377 3.571 30 20 CHED CCc1cccc(N/C(N)=N/Cc2sccc2C)c1 262018645 XARGYUJPMDOIFB-UHFFFAOYSA-N 273.405 3.546 30 20 CHED CC(C)(C)c1ccc(C#N)c(Nc2cnn(CC3CC3)c2)n1 613426299 RRSDBJZSOCIGON-UHFFFAOYSA-N 295.390 3.601 30 20 CHED N#Cc1nccnc1Nc1ccc(COC2CCCC2)cc1 265774091 DNHNTNQNNNYMTO-UHFFFAOYSA-N 294.358 3.551 30 20 CHED CC(C)c1cc(N[C@H]2CCc3cc(C#N)ccc32)ncn1 618693765 OWOMVRVJJRJCLW-HNNXBMFYSA-N 278.359 3.571 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)C(C)(C)C 448133880 DJFPPLUHZCVPHQ-LBPRGKRZSA-N 265.422 3.945 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1c(C)cc(C)cc1C 539926564 TXGNORBUTWRLNX-UHFFFAOYSA-N 293.370 3.778 30 20 CHED C=CCC[C@H](NCc1cc(C)cc(OC)c1)C1CC1 537947822 LKQRZDZNFVXVGK-KRWDZBQOSA-N 259.393 3.838 30 20 CHED C=C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 535151948 BLUPKGXAECBQIL-ARFHVFGLSA-N 261.409 3.772 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2ccccc2F)CCCC1 619104914 XMUOWVKFSWITRO-ZDUSSCGKSA-N 275.367 3.934 30 20 CHED C[C@H]1c2ccccc2CCN1CCOc1ccc(C#N)cc1 530902112 JGRBGAUMAWMZOD-HNNXBMFYSA-N 292.382 3.556 30 20 CHED C=CCCOCCCCc1nc(-c2ccccc2)no1 538308097 KNWOGPGDUBXYPP-UHFFFAOYSA-N 272.348 3.652 30 20 CHED C[C@@H](CCc1ccccc1)CNCc1cccc(C#N)c1 539462231 GAMHTYKMQNTYCU-INIZCTEOSA-N 278.399 3.917 30 20 CHED CCC(CC)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 363492841 IRDZFXLVSTXXBM-SJORKVTESA-N 299.418 3.656 30 20 CHED CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 458134486 PTGQHGTVOSNCMB-CRAIPNDOSA-N 284.403 3.652 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(c2ccccc2)CCC1 537233536 UHAZYNIZGBSQMQ-HNNXBMFYSA-N 271.404 3.969 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CSCc3ccccc32)C1 618570467 FCMMOODUUXNYKV-INWMFGNUSA-N 272.417 3.646 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 610407142 QTOQDKCKQXGCKT-PBHICJAKSA-N 299.418 3.839 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1CCc2c(Cl)cccc21 611439587 ZGDZSQLIFVLVHD-CQSZACIVSA-N 296.757 3.880 30 20 CHED C=C(C)[C@H](CC(=O)Nc1c(C)cccc1Cl)OCC 270171578 LIYZCQPRKKPEDE-ZDUSSCGKSA-N 281.783 3.958 30 20 CHED N#Cc1cc(Cl)c(C(=O)NC2CCCCC2)c(Cl)c1 611093273 SPBAOQLCNGHHTN-UHFFFAOYSA-N 297.185 3.928 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(C#N)cs1 452505133 AMCLIAZIMCIHNG-OAHLLOKOSA-N 276.405 3.661 30 20 CHED CC[C@H]1CCC[C@H]1NCc1ccc(C#N)c(Cl)c1 619755494 ZADAEZLHZMXFHE-SWLSCSKDSA-N 262.784 3.880 30 20 CHED C=CCCc1noc(C2(c3cccc(C)c3)CC2)n1 453243039 YDYBPJLSHZCXGD-UHFFFAOYSA-N 254.333 3.577 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CC)C1 549634041 HOQYWDLGJUEMER-CABCVRRESA-N 290.455 3.994 30 20 CHED C=C(C)CCNC(=O)N(CCc1cccc(F)c1)C1CC1 459008177 TYJLCWXNGNWLJF-UHFFFAOYSA-N 290.382 3.508 30 20 CHED C=CCCN(C)Cc1csc(COc2ccccc2)n1 276504993 WQQMPLNOZMKXNW-UHFFFAOYSA-N 288.416 3.730 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(C2CCC2)c1 361796688 MCNJYYJKBYIRMY-CQSZACIVSA-N 271.364 3.768 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1cccs1 455303347 AOEIBXRGWKKUNO-GFCCVEGCSA-N 264.394 3.561 30 20 CHED C=C(CC)CNC(=O)Cc1ccc(Cl)c(Cl)c1 453023094 SKHXIQXAUHPGLT-UHFFFAOYSA-N 272.175 3.618 30 20 CHED N#Cc1cccc(OCCn2ccc(-c3ccsc3)n2)c1 360289658 CJODMQAHUGWBDL-UHFFFAOYSA-N 295.367 3.562 30 20 CHED C=C[C@H](Cc1nc(CCc2ccco2)no1)c1ccccc1 545780804 VBQBHIMBXQYEOG-CQSZACIVSA-N 294.354 3.960 30 20 CHED C=C(C)[C@H](CC(=O)N(C)Cc1ccc(C)c(C)c1)OCC 456946796 GOYBZHUKZSIAGV-KRWDZBQOSA-N 289.419 3.633 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)c1cc(C#N)ccc1Cl 457183188 APGROSRKODPJDE-SNVBAGLBSA-N 278.783 3.766 30 20 CHED COc1ccc(CC[C@@H](C)Nc2nccc(C)c2C#N)cc1 541279027 WASGIBNDSVNQTP-CQSZACIVSA-N 295.386 3.704 30 20 CHED C=CCN(C(=O)c1ccc(OC(F)F)cc1)C(C)(C)C 622942896 DNXSLYLFAHQBMS-UHFFFAOYSA-N 283.318 3.715 30 20 CHED Cc1nc(Sc2cccc(C#N)c2)c(Cl)cc1C#N 461958310 MYFNSWXMBQDNOT-UHFFFAOYSA-N 285.759 3.938 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC(F)(F)C[C@@H]1C 624969371 WSLFXIMVVFIJDQ-LBPRGKRZSA-N 298.381 3.602 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H]1C1CCC1 460372543 FLBMWEIPPFSLTP-OAHLLOKOSA-N 288.439 3.747 30 20 CHED C[C@@H]1CN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC(C)(C)C1 462547322 SNHCDCCHJXVTQK-KBPBESRZSA-N 284.403 3.556 30 20 CHED CCN(CCN1CCC(C)CC1)[C@H](C)c1ccc(C#N)cc1 465396297 SAXAGHOYNJTNFF-QGZVFWFLSA-N 299.462 3.673 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(OCCC(C)C)cc1 465240271 CFKNKNCMKSXMHH-CYBMUJFWSA-N 276.380 3.808 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C(C)(C)C 622944090 DGVJXIJFMLLSTB-OCCSQVGLSA-N 293.357 3.881 30 20 CHED Cc1cc(N2CC[C@@H](Cc3ccccc3)[C@H]2C)cc(C#N)n1 553154157 ASQLAXSUXSYLRI-WBVHZDCISA-N 291.398 3.719 30 20 CHED CSCc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 464150484 DGPXJIHWCGXMAB-INIZCTEOSA-N 290.432 3.608 30 20 CHED Cc1c(C(=O)N2CC[C@H](C)[C@@H]2C)sc2ccc(C#N)cc12 551705661 IJMVWSIKKHOKQF-JQWIXIFHSA-N 298.411 3.952 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 464752958 QNQAYOBHYHGAKR-MLGOLLRUSA-N 290.382 3.931 30 20 CHED N#Cc1cccc(OCCNc2cccc(Cl)c2F)c1 462220415 FLTSWSGXNMFQGU-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CCOc1ccc([C@H](NCCC#N)C(C)C)cc1OCC 281240649 FKOHOZZFXRBBJW-QGZVFWFLSA-N 290.407 3.684 30 20 CHED CCCn1c(C(=O)N[C@H](C#N)C(C)(C)C)cc2ccccc21 464712328 PJMZZCWOWTVRHJ-MRXNPFEDSA-N 297.402 3.719 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)CCC#N 558245281 HKGNRHGLXNZXFI-ZDUSSCGKSA-N 289.379 3.884 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 285002343 GFFSRZWJPCTIPS-GOSISDBHSA-N 297.402 3.649 30 20 CHED Cc1noc(C)c1[C@H](C)NC1CC(C#N)(c2ccccc2)C1 387590923 FYBIMIQMSMEION-KIAYWQFFSA-N 295.386 3.566 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)COc1ccccc1 470648803 NFIBYIJGHDHQNO-UHFFFAOYSA-N 295.382 3.670 30 20 CHED Cc1c(C(=O)NC2(C3CC3)CC2)sc2ccc(C#N)cc12 551847008 DKVSPNWRUQZJCR-UHFFFAOYSA-N 296.395 3.754 30 20 CHED C=CCC(C)(C)c1noc(COc2ccc(OC)cc2)n1 551497722 DMFIBCJOZHLLJL-UHFFFAOYSA-N 288.347 3.511 30 20 CHED CCN(C(=O)CCCOC(C)(C)C)c1ccc(C#N)cc1 808455961 XIQWONVFMYHWOX-UHFFFAOYSA-N 288.391 3.506 30 20 CHED Cc1csc(NC(=O)C(F)(F)c2ccccc2)c1C#N 809005337 IMFTUABQQVZBCZ-UHFFFAOYSA-N 292.310 3.659 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1 294182070 NQUIMXAWFOYGJF-NVXWUHKLSA-N 299.414 3.721 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N1CCCc2cc(C#N)ccc21 297680068 GQKLMKIAHPKSBV-OLZOCXBDSA-N 270.376 3.520 30 20 CHED N#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 292000018 WWWCLXLEQBAFRA-BJWYYQGGSA-N 282.387 3.617 30 20 CHED CC(C)(C)c1ncc(/C=C\C(=O)c2cccc(C#N)c2)cn1 806566813 PITWDRCMHFZMRK-FPLPWBNLSA-N 291.354 3.542 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CCCC1(C)C 475413024 PQSGYMIJFROTOB-OAHLLOKOSA-N 278.440 3.991 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cnccn1)CCO2 809158601 UPXACUQNEDNPOV-NTEUORMPSA-N 294.354 3.649 30 20 CHED CC(C)(C)[C@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 567410599 YBAGTPVYVFTJGY-ZDUSSCGKSA-N 287.363 3.729 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](OC)[C@H](C)CC)CCCC1(C)C 477121871 OCBYSZVZTAOYPR-QLFBSQMISA-N 281.440 3.641 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cc(C(C)(C)C)ccc1OC 806128607 NATFKVAJDSAARU-ZDUSSCGKSA-N 288.391 3.526 30 20 CHED Cc1cccnc1CCCN[C@H](C)c1ccc(C#N)c(F)c1 296502350 PCJJTYMMORNZSC-CQSZACIVSA-N 297.377 3.684 30 20 CHED CCC(C)(C)CCN(C)CCOCc1ccc(C#N)cc1 564490291 GELFVNGBZCCZDS-UHFFFAOYSA-N 288.435 3.833 30 20 CHED CC[C@@H](C)[C@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 397155099 NFSQUNMSSWQETI-QAPCUYQASA-N 298.430 3.969 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N[C@H](C)CCCC=C 807075363 WVAVFBSIZQWGPL-MRXNPFEDSA-N 284.403 3.576 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCCC#N)C2CC2)o1 292387581 DOJIWQNHYLCBES-IUODEOHRSA-N 286.375 3.588 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(C)nc2C2CC2)n1 568953066 PEAKDQKZWZNDOB-CYBMUJFWSA-N 297.383 3.522 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccccc1Cl 294297487 IIDLKOUDQROREV-UHFFFAOYSA-N 251.757 3.511 30 20 CHED Cc1oc(C)c(C(=O)Nc2ccccc2O[C@H](C)C#N)c1C 803082762 LSQUXYTVKYPAQD-SNVBAGLBSA-N 298.342 3.748 30 20 CHED C=CCCc1noc([C@H]2C[C@H]2c2ccc(F)cc2)n1 297482194 ZIQMNSOVIGKVSE-STQMWFEESA-N 258.296 3.598 30 20 CHED C=CCOc1cccc(CNC[C@H](C)C(F)(F)F)c1 479603891 RTIRKMOQFDSTDO-NSHDSACASA-N 273.298 3.539 30 20 CHED N#CCCCC(=O)N1CCC(=Cc2ccccc2F)CC1 291907208 LXXGYTARNIJHMW-UHFFFAOYSA-N 286.350 3.525 30 20 CHED O=C1/C(=C/c2ccc(F)cc2F)Cc2nc(Cl)ccc21 806579882 VEQVMNXGRAZHJB-WEVVVXLNSA-N 291.684 3.836 30 20 CHED CC1(C)CCC1=NNc1cc(Cl)nc(Cl)c1 819828429 CRENPDDEJSNAEX-UHFFFAOYSA-N 258.152 3.976 30 20 CHED C=CCN(Cc1cccc(Br)c1OC)C1CC1 482524690 HIOAVGAZAUNVGM-UHFFFAOYSA-N 296.208 3.608 30 20 CHED C=CCCCCOC(=O)[C@@H]1CSc2ccccc21 811010215 NGCGKCGRGLAWDV-CYBMUJFWSA-N 262.374 3.775 30 20 CHED C=CCC(F)(F)C(=O)N[C@](C)(CC)c1ccccc1 815513149 WGBYGDNFWOGIOE-CQSZACIVSA-N 267.319 3.639 30 20 CHED C[C@H]1/C(=C\c2cnn(CC(F)F)c2)C(=O)c2ccccc21 814189050 DMUMXNQUJYXHAE-GCIHHOABSA-N 288.297 3.532 30 20 CHED Cc1ccc(C=NN[C@@H](C)COc2ccccc2)cc1F 811669265 YRYBADGDBJMGQY-AWEZNQCLSA-N 286.350 3.525 30 20 CHED C#CCN(C)CCCN[C@@H](C)c1ccc(-c2ccccc2)o1 815651721 BFRWZUWXPFEFHQ-INIZCTEOSA-N 296.414 3.552 30 20 CHED CC[C@@H](NC[C@@H](C(C)C)N1CCCC1)c1ccc(C#N)cc1 579915762 QTSMCMDIXKDCBS-MOPGFXCFSA-N 299.462 3.719 30 20 CHED C[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1C#N 481027396 VDNUAYWGIOQSJK-ABAIWWIYSA-N 262.784 3.880 30 20 CHED Cc1nc(N2CCCC[C@@H]2Cc2ccccc2)ccc1C#N 488111816 GQIYBGLORBCFLP-GOSISDBHSA-N 291.398 3.863 30 20 CHED C=CCCN[C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 658116286 IJQRIDLEWAUVOM-GFCCVEGCSA-N 280.799 3.531 30 20 CHED CCCCCCCCC(=O)N1CC(C(F)(F)F)C1 816281085 BFGBURYGXOVZCB-UHFFFAOYSA-N 265.319 3.758 30 20 CHED Cc1ccc2ncc(C#N)c(OCCC3CC3)c2c1 488276931 ADOORTLMYDBPTQ-UHFFFAOYSA-N 252.317 3.594 30 20 CHED CC[C@@H](NC(=O)N1CCC(CCC#N)CC1)C1CCCC1 578066212 JRXWYLAVQVEDJK-MRXNPFEDSA-N 291.439 3.681 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)c(F)c1 571706055 OQAPZDSFGXIWOX-QGZVFWFLSA-N 288.366 3.727 30 20 CHED C/C(=C/C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1 728181166 PYZGFGKPARFSPN-FLIBITNWSA-N 298.292 3.878 30 20 CHED C/C=C/c1ccc(NC(=O)CNc2cccc(C#N)c2)cc1 489963398 JPVQGTOPFGHXFR-DUXPYHPUSA-N 291.354 3.642 30 20 CHED CC(C)n1ccc(CNc2cccc(Cl)c2C#N)n1 572472110 WYHRPEAGWMTRSH-UHFFFAOYSA-N 274.755 3.601 30 20 CHED C=CCCCCCNC(=O)C1CCC(OC(F)F)CC1 573382947 AKAHNIWOYSOSCX-UHFFFAOYSA-N 289.366 3.647 30 20 CHED C#CCCCOC(=O)/C=C/c1cccc(OC2CCCC2)c1 727955515 ZKONWKGWVMYCCQ-OUKQBFOZSA-N 298.382 3.978 30 20 CHED C#C[C@@H](NCc1ccc(C)nc1)c1ccc(Cl)cc1 491514863 KMHGQXKQSJXXBP-MRXNPFEDSA-N 270.763 3.508 30 20 CHED C=CC[C@H]1N(C(=O)NCCC(C)(C)F)CCCC1(C)C 666431055 HKBLAWNDSZCZHT-CYBMUJFWSA-N 284.419 3.901 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(SC)ccc1Cl 824473906 GCDDLUONVPDSDW-SECBINFHSA-N 282.796 3.595 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(Cl)c2occc12)C1CC1 825105808 VKFUDUDWTLVQIN-SECBINFHSA-N 288.734 3.603 30 20 CHED CN(Cc1cccc2[nH]ccc12)c1cccc(F)c1C#N 493416483 SZLIGMSWSSRRIY-UHFFFAOYSA-N 279.318 3.815 30 20 CHED Cc1csc(NC(=O)N2CCCCCCC2)c1C#N 821435214 ODHWCXVTLLPLBX-UHFFFAOYSA-N 277.393 3.726 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(-c2cccnc2)ccc1C 491660645 YVNBLQTZEBTNLA-CQSZACIVSA-N 293.370 3.542 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1C)[C@@H](C)COC 665134673 NJJNAQGFXCSIAM-NSHDSACASA-N 296.798 3.703 30 20 CHED CCC(C=Nn1c(S)nnc1-c1ccc(F)cc1)CC 730549780 OENDEHZYMSKGMA-UHFFFAOYSA-N 292.383 3.643 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC(C)(C)c1ccccc1 494702729 LQSNQXDZRSSOSW-INIZCTEOSA-N 286.419 3.714 30 20 CHED CC[C@H](C)CON=Cc1cnc(CC(F)(F)F)s1 901246880 SRSTXZMTXWWXOL-QMMMGPOBSA-N 280.315 3.645 30 20 CHED C=CCN(CCCCCn1cc(C)cn1)C(C)(C)C 661756226 GPENHNBAMRNJAM-UHFFFAOYSA-N 263.429 3.648 30 20 CHED CC(=NNc1ccc(Br)nc1)c1cccs1 732713338 YWJUORCYXFWVPU-UHFFFAOYSA-N 296.193 3.742 30 20 CHED CC1CCN(c2ccc(NC[C@@H](C#N)CCC#N)cc2)CC1 732917798 LKFZMJYVPSBXME-MRXNPFEDSA-N 296.418 3.778 30 20 CHED CC(=NNc1cnnc2ccccc12)c1ccsc1 733748315 QLDZOKYVEORWFE-UHFFFAOYSA-N 268.345 3.527 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C3=CC[C@H](C)CC3)[nH]c12 835173544 PQZCKJWJRWYXCI-FZMZJTMJSA-N 293.370 3.794 30 20 CHED CC[C@@H](NCC1(C#N)CCC1)c1ccc2c(c1)CCCO2 903033283 RZCZGIQEFMYOJW-MRXNPFEDSA-N 284.403 3.746 30 20 CHED CC#CCCCC(=O)Nc1nc(C)c(C(F)(F)F)s1 584877945 GRVOSCYWPNZWLE-UHFFFAOYSA-N 290.310 3.602 30 20 CHED C=CCC[C@H](NCc1cc(F)cnc1Cl)C1CC1 834841121 PNISJNKBUBYZLV-ZDUSSCGKSA-N 268.763 3.709 30 20 CHED C/C(=C\C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 839048467 MTSODXAPARKQNY-RNTKJRCOSA-N 269.344 3.715 30 20 CHED COC1(CC(=O)Nc2cc3ccccc3cc2C#N)CCC1 839435467 NCUDOCORWZCUMW-UHFFFAOYSA-N 294.354 3.609 30 20 CHED C[C@@H](C#N)COC(=O)C(C)(C)c1cccc2ccccc12 835237163 BMCBSORNCFLFTM-ZDUSSCGKSA-N 281.355 3.820 30 20 CHED Oc1cccc(/C=N\[C@@H]2CCC[C@@H]2Cc2ccccc2)c1O 737440853 SJQRDJJTFCLTOA-JEDJRAQWSA-N 295.382 3.928 30 20 CHED C#CCOc1ccc(CN[C@@H](C)Cc2cccc(F)c2)cc1 735508464 ALSOYMLKYFSEHW-HNNXBMFYSA-N 297.373 3.559 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1CCC[C@H]1c1ccccc1 837862907 DHUIIDDJLKUYND-DLBZAZTESA-N 286.371 3.649 30 20 CHED CC(C)Oc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839040997 CCORKMYRSHFHGU-XJKSGUPXSA-N 287.359 3.713 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CC2CCCCC2)cc1 582352704 UKRSDHKLYWDCMZ-QGZVFWFLSA-N 284.403 3.900 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 597351046 NTNBNALWTQOZHE-ZACQAIPSSA-N 298.430 3.700 30 20 CHED Cc1ccc2sc(S[C@H](C#N)C3CC3)nc2c1 919621476 GTTDZZNSCPQSEF-GFCCVEGCSA-N 260.387 3.999 30 20 CHED CSc1ccc2c(c1)CCCC2=NNc1ccccn1 748131785 NWQSVUHEXAEACJ-UHFFFAOYSA-N 283.400 3.956 30 20 CHED C=CCCSCCN[C@H]1CCCc2nc(CC)sc21 595058287 GLACFWJNHIREJS-LBPRGKRZSA-N 296.505 3.982 30 20 CHED N#Cc1ncccc1N1CCC[C@H](c2ccc(F)c(F)c2)C1 599118473 NWVLSDYQPNXIRU-ZDUSSCGKSA-N 299.324 3.615 30 20 CHED Cc1cc2occ(C(=O)N3CCC[C@H](CC#N)C3)c2cc1C 597906005 RWSIPFCKZAIPEA-CQSZACIVSA-N 296.370 3.816 30 20 CHED C/C(=C/C(=O)OCCCC#N)c1ccc(C(F)(F)F)cc1 748384608 FIWGQVWBQCSQLE-KHPPLWFESA-N 297.276 3.956 30 20 CHED N#CC1(CC(=O)OCc2c(F)cccc2F)CCCCC1 849906587 DQKWUBAPYQEVMI-UHFFFAOYSA-N 293.313 3.872 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C(C)=C/c1ccco1 846970596 HZGJNFNRJBPHAX-OUKQBFOZSA-N 274.364 3.614 30 20 CHED CCCCCCCC(=O)OCC(=O)c1cccc(F)c1 919222138 JYWPUZCQCIZNEW-UHFFFAOYSA-N 280.339 3.912 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)CC1(C#N)CCCCC1 597269650 VXWCRQQEEAJIQZ-FOLVSLTJSA-N 276.424 3.791 30 20 CHED N#Cc1cccc(C(=O)COC(=O)CC2CCCCCC2)c1 748302292 KHKFLMKKHRMGRY-UHFFFAOYSA-N 299.370 3.645 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC1CC(C(F)F)C1 841893518 GMMLLXPGQXIGJA-PIMMBPRGSA-N 276.330 3.569 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H](CC#N)C1 595611693 MWZWNPKZQUQNSG-RYUDHWBXSA-N 264.319 3.651 30 20 CHED CCCC(C)(C)C(=O)Nc1cc(C#N)c2ccccc2n1 593159048 IIBUTQLNMQLMEH-UHFFFAOYSA-N 281.359 3.871 30 20 CHED Cc1ccc(C2(C(=O)N(CC#N)C3CCCC3)CCC2)cc1 591766388 NYMASISRNXSPAW-UHFFFAOYSA-N 296.414 3.712 30 20 CHED CCC(CC)(CNC(=O)CCCC#N)c1ccc(F)cc1 598582193 SIKXHLPJEDBZOB-UHFFFAOYSA-N 290.382 3.694 30 20 CHED N#CC[C@H]1CCCN(CCCc2ccc(Cl)cc2)C1 595615400 QQVYKWWGFUHRKA-OAHLLOKOSA-N 276.811 3.898 30 20 CHED CCCCCCCC(=O)N(C)[C@H]1CCN(CC)[C@@H](C)C1 740841638 VIUCTPOEJBVSPT-HOTGVXAUSA-N 282.472 3.678 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1cc(C(C)=O)ccc1C#N 685909110 ILZHCYAJCPZALJ-VXGBXAGGSA-N 258.365 3.997 30 20 CHED N#CC1(CC(=O)Nc2ncc(Cl)s2)CCCCC1 597300273 ZDUNDXQAYYQMEK-UHFFFAOYSA-N 283.784 3.599 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O 921264741 XYOGAEZROXBWHC-ZROIWOOFSA-N 279.295 3.726 30 20 CHED CCc1cccnc1C(=O)OCCC1(C#N)CCCCC1 840398912 IQPNKEZGCGOEDC-UHFFFAOYSA-N 286.375 3.665 30 20 CHED Cc1ccc(C)c(COC(=O)c2ccccc2CC#N)c1 849210916 NHSWGGAOQGENOQ-UHFFFAOYSA-N 279.339 3.727 30 20 CHED C#CC1CCN(C(=O)[C@@H](CC)CCCCCC)CC1 843707113 MNYWVXMWKNGIMY-INIZCTEOSA-N 263.425 3.855 30 20 CHED C=CCC[C@H](C(=O)NC1CC=CC1)c1ccccc1 681668978 RQWKHKCARKGQFZ-INIZCTEOSA-N 255.361 3.571 30 20 CHED N#Cc1cc(COC(=O)c2cc(Cl)cs2)ccc1F 758754258 CCYCXOALRVMRAP-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C[C@H](C(=O)OCc1ccc(F)cc1C#N)C1CCCC1 750470719 DSEXFYYUGIAEQX-NSHDSACASA-N 275.323 3.567 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1cc(F)ccc1F 757476672 YFZSWKCOWJJVHJ-ALCCZGGFSA-N 284.265 3.509 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc(C)cc1O 757477014 WTSFONPKGJKLQM-CSKARUKUSA-N 268.312 3.605 30 20 CHED C=CCN(C(=O)/C=C/c1cccc(F)c1)C(C)(C)C 857650770 HQZXEDAEXCDVRN-MDZDMXLPSA-N 261.340 3.652 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(N2CCCCC2)cn1 925760254 WCAYLSNIOQKECA-CQSZACIVSA-N 286.423 3.812 30 20 CHED C/C(=C\C(=O)OCCCCC#N)c1cccc(Cl)c1 750573468 PLVYZEYLIROYSO-ZRDIBKRKSA-N 277.751 3.980 30 20 CHED C#CCN(C(=O)Nc1ccc(OCCC)cc1C)C(C)C 929883832 AADJXZNWBMJQNP-UHFFFAOYSA-N 288.391 3.659 30 20 CHED C=CCC[C@H](NCc1nnc(CC)s1)c1ccccc1 680074958 DENUSOWIBXDWHP-AWEZNQCLSA-N 287.432 3.898 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(Cl)nc2C)no1 924241204 YQGMEUVJFQYFOG-UHFFFAOYSA-N 291.782 3.871 30 20 CHED Cc1sc2ncnc(NN=C[C@H]3C[C@H]4C=C[C@H]3C4)c2c1C 755520200 ACDXVONHRMSBFS-RWMBFGLXSA-N 298.415 3.918 30 20 CHED CC(CC1CCC1)=NNC(=S)Nc1ccccc1 758361423 KLLFQPKMZJHXFV-UHFFFAOYSA-N 261.394 3.539 30 20 CHED C#CC[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 756995920 BAJXCDREUSDALY-LEUOFYLZSA-N 251.373 3.553 30 20 CHED CCCCCCCNC(=O)N(C)[C@H](C)c1ccco1 858111570 LEJJXZRONYBQSA-CYBMUJFWSA-N 266.385 3.952 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)CC1(C)CC1 757857287 KGXAOJBRASNEBI-UHFFFAOYSA-N 293.750 3.706 30 20 CHED C#CC[C@H](NC(=O)c1cnc(CCC)s1)c1ccccc1 757598078 IARBEQZWRAIZSD-AWEZNQCLSA-N 298.411 3.590 30 20 CHED COc1ccc(CCC(C)=NN2CCCC[C@H]2C)cc1O 853379062 FOVNBRHXFQLNHG-CQSZACIVSA-N 290.407 3.584 30 20 CHED C#C[C@H](CC)NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 754373272 IIMCJOXHZAXPNJ-MRVPVSSYSA-N 295.169 3.616 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 855546963 QYJPXCHCXBYRPH-WMZOPIPTSA-N 287.403 3.987 30 20 CHED C#C[C@H](CC)NC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 753242741 IWZQYMMFAVUYGY-MRXNPFEDSA-N 286.419 3.537 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)c1cccc(O)c1 933339870 OKBQSJLNGDPTBK-AWEZNQCLSA-N 275.392 3.701 30 20 CHED C=CC[C@@H](N[C@@H]1CCc2ccc(OC)cc21)c1ccncc1 766023016 ZFQQYXMFPSUYFM-RTBURBONSA-N 294.398 3.985 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(F)cc(F)c2)c1 769726629 ACAIQJSNJAZWOF-UHFFFAOYSA-N 277.270 3.820 30 20 CHED C#CCC(C)(C)COC(=O)Cc1c[nH]c2cc(C)ccc12 760267433 ZWFVFVVSWHUPPV-UHFFFAOYSA-N 283.371 3.612 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc(F)c(C#N)c1 769746535 HNGJDGJQGYROME-HWKANZROSA-N 287.315 3.664 30 20 CHED C#CCC(C)(C)C(=O)NCC1(c2cccc(C)c2)CCCC1 767073803 WSOGABCMOSTJTL-UHFFFAOYSA-N 297.442 3.973 30 20 CHED CC#CC(=O)N[C@H](c1ccc(CC(C)C)cc1)C(C)C 764098972 PUJCMDUREYTZFW-SFHVURJKSA-N 271.404 3.722 30 20 CHED C=C(CC)CN[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 769918891 DDZWNOWZIOCNKM-HNNXBMFYSA-N 296.455 3.626 30 20 CHED C#CCCN(CCc1ccc(C)cc1)Cc1ccco1 760842484 ZOHXXUKVDYJTST-UHFFFAOYSA-N 267.372 3.656 30 20 CHED C#CCN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 763790492 KHEAWZRROXKANU-UHFFFAOYSA-N 291.350 3.717 30 20 CHED C=CCOCSc1nnc(-c2ccc(C)c(C)c2)o1 865341821 LOFWCUARIIRZLA-UHFFFAOYSA-N 276.361 3.606 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ncccc1Cl 766010909 PWRLMZWNJUVWOT-SECBINFHSA-N 251.761 3.959 30 20 CHED Fc1cc(F)c(C=NNc2ncccc2Cl)cc1F 767777705 XLLVJWAHXYVHDU-UHFFFAOYSA-N 285.656 3.598 30 20 CHED C=C[C@H](OC(=O)C1CCN(C(C)C)CC1)c1ccccc1 875830033 LXRYBLXYHDWIJW-KRWDZBQOSA-N 287.403 3.577 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(F)cn1 769827533 CDJNBVZOFDABHU-UHFFFAOYSA-N 261.275 3.504 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2csc(C#N)c2)C1 1117804414 NEUGVONZUNMYMV-LBPRGKRZSA-N 276.405 3.518 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](CC#N)C1 1118771703 NHCLRZIPMMVNDT-GOEBONIOSA-N 276.424 3.745 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NN1CCc2ccccc2C1=O 773208819 QFUXFFGZTZZENU-PBHICJAKSA-N 282.387 3.663 30 20 CHED CC(C)c1ccc(SCC(=O)OCC2(C#N)CC2)cc1 775852945 SDICMRSECZFCFJ-UHFFFAOYSA-N 289.400 3.749 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc(C)cc1Cl 773401301 LUALBZVJLYEMCO-LBPRGKRZSA-N 282.767 3.673 30 20 CHED Cc1ccc(F)cc1/C=C1/CC(=O)Nc2ccccc2C1=O 774145600 PTTCKKQVATVMSQ-JYRVWZFOSA-N 295.313 3.743 30 20 CHED C#CCOc1cccc(NC(=O)N[C@@H]2CC23CCCCC3)c1 771456813 HFJKXFMKSQSATO-MRXNPFEDSA-N 298.386 3.543 30 20 CHED C#CCCCCCC(=O)OCc1nc2ccccc2s1 779720639 XGSHXLSYIWWGPU-UHFFFAOYSA-N 287.384 3.923 30 20 CHED C=CCC1(O)CCN(Cc2cccc3ccccc23)CC1 886755870 VFEBYWBVWSDVQV-UHFFFAOYSA-N 281.399 3.743 30 20 CHED C=C(C)CN(C)Cn1nccc1-c1ccc(F)c(Cl)c1 777960541 GVTQNUZKGVXYBD-UHFFFAOYSA-N 293.773 3.808 30 20 CHED Cc1ccnc(N[C@H](C)c2ccc(C#N)c(F)c2)c1 776770280 RQMBIYHPYWPTEG-LLVKDONJSA-N 255.296 3.574 30 20 CHED C#CCCCN[C@@H](COc1ccccc1)c1ccccc1 775392523 IWRCKJBYLZPYAC-IBGZPJMESA-N 279.383 3.810 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCCOc3ccccc32)CC1 888633581 KTLQPKYSZFNPCW-INIZCTEOSA-N 285.387 3.763 30 20 CHED Cc1ccc(NN=C2CCC(C)(N3CCCC3)CC2)nc1 884425886 VPRHMLSCAHQMSH-UHFFFAOYSA-N 286.423 3.586 30 20 CHED CC(C)c1ccc(C(=O)OCC#Cc2ccc(F)cc2)cn1 772393863 WKMHECGOYMHJLF-UHFFFAOYSA-N 297.329 3.553 30 20 CHED C=CC(C)(C)CC(=O)N(CC)c1ccc(OC)c(OC)c1 888040284 JWHQGTHXLDARDG-UHFFFAOYSA-N 291.391 3.659 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cnc(Cl)cc1C#N 1121209836 MCICOGCYQYUPNL-SECBINFHSA-N 279.771 3.617 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H](OC)CC1 783258836 SIYJIOANWZTRHX-OAHLLOKOSA-N 284.444 3.557 30 20 CHED N#CCc1ccc(COC(=O)CCCc2ccsc2)cc1 783427331 ANLLPRUAMLHNQW-UHFFFAOYSA-N 299.395 3.880 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1125640165 ZNQFANANSHUHCA-FZMZJTMJSA-N 290.794 3.768 30 20 CHED C[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1F 1123464387 ZLJHIFLAHWWKLN-ABAIWWIYSA-N 287.290 3.720 30 20 CHED COc1cccc(O)c1/C=N/C[C@H](SC)C(C)(C)C 783681275 ABCNEDORIQJSMO-FSEGOYHTSA-N 281.421 3.597 30 20 CHED COc1cc(C)c(C(C)=NNc2cc(C)nc(C)n2)cc1C 783826283 CYGYUNGMGHRUTB-UHFFFAOYSA-N 298.390 3.555 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@H](C(C)C)C1)c1ccccc1 780571523 ZZAPCAFMRSMWCO-ZWKOTPCHSA-N 298.430 3.829 30 20 CHED COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cn1 780236084 OHNVKJFCAJZUEV-UHFFFAOYSA-N 295.264 3.555 30 20 CHED CCCCSCCC(=O)Nc1cc(C#N)ccc1F 891450357 HBPSKILSQKAESU-UHFFFAOYSA-N 280.368 3.559 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccccc1Br 786609317 IKFJLBUBSVUNRE-CYBMUJFWSA-N 283.165 3.957 30 20 CHED COCCCCSc1ccc(C#N)cc1Cl 270002857 YOVWOKYQOZWJIW-UHFFFAOYSA-N 255.770 3.730 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccc2ccccc2n1 782226748 VDRYBFPJFOETEK-GOSISDBHSA-N 299.370 3.507 30 20 CHED C#CC[C@H](NC(=O)Cc1ccccc1CC)c1ccccc1 785596700 CZPBMHFREVQNCM-IBGZPJMESA-N 291.394 3.672 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N1CCC(C#N)CC1 780523184 OESOOQPZLZNNRP-MRXNPFEDSA-N 264.413 3.745 30 20 CHED C=CC(C)(C)Cc1nc([C@H](OCC)c2ccccc2)no1 896271117 YYNPUFTXYGHVEM-OAHLLOKOSA-N 286.375 3.950 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](C)C[C@H]1c1ccccc1 795156881 LIMYYAFRAGEWNQ-ZFWWWQNUSA-N 274.433 3.520 30 20 CHED COc1cc(CNc2ccc(Cl)nc2C)ccc1C#N 799735150 LNDDAQJNOURUKS-UHFFFAOYSA-N 287.750 3.536 30 20 CHED COC(=O)c1ccc(CSCCC(C)(C)C#N)c(F)c1 790558084 BXZXDOAQUMEYOS-UHFFFAOYSA-N 295.379 3.785 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCc1cccc2ccccc12 1134212291 MGJKBODLXWANFY-KRWDZBQOSA-N 294.398 3.923 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)s1 899342946 KPMWKKWAXHJDSY-SREVYHEPSA-N 272.373 3.874 30 20 CHED C=C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 513448010 QHHZFFGZCLBLMA-UHFFFAOYSA-N 255.283 3.857 30 20 CHED C=CCNN=C(C)c1ccc(-c2ccccc2OC)cc1 794993772 HCLOZCUSYLSUPS-UHFFFAOYSA-N 280.371 3.862 30 20 CHED CC(C)C[C@@H](C)C=NNc1cnc2ccccc2n1 799112802 XBIDXJHHHKNGEJ-GFCCVEGCSA-N 256.353 3.710 30 20 CHED N#Cc1ccc(C(=O)OCCCc2ccc(Cl)cc2)o1 796143369 YEZCUDXPQZKJQO-UHFFFAOYSA-N 289.718 3.594 30 20 CHED C#C[C@@H](OC(=O)[C@H](C)Oc1ccc2ccccc2c1)C1CC1 796790521 NNHBMGWCUWCMAJ-SCLBCKFNSA-N 294.350 3.562 30 20 CHED Cc1nnc(Oc2cc(F)cc(Cl)c2)c(C#N)c1C 703733231 OXTOMBIXVOHFNG-UHFFFAOYSA-N 277.686 3.550 30 20 CHED CCC(CC)NN=C1CCC[C@@H](c2cccnc2)C1 799881132 ZBGJOQBMNBEKAH-CYBMUJFWSA-N 259.397 3.873 30 20 CHED CC(C)c1nc(CNCc2cc(C#N)ccc2F)cs1 705589253 VXUKAEYPAWRMRD-UHFFFAOYSA-N 289.379 3.567 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(C#N)cc1 594711420 NCBNEFBKZPMLAV-ZDUSSCGKSA-N 260.406 3.518 30 20 CHED C=CCCSCCN[C@H]1CCc2ccc(F)cc21 594708622 AIMCBZVTLXQFMG-HNNXBMFYSA-N 265.397 3.712 30 20 CHED COc1ccccc1-c1noc(-c2ccc(C)c(C#N)c2)n1 799760133 AMQIDVJEFZUSJG-UHFFFAOYSA-N 291.310 3.592 30 20 CHED C=CCOCCN(C)Cc1ccc(Cl)cc1Cl 645074899 UZUDPPGFDRXSSY-UHFFFAOYSA-N 274.191 3.628 30 20 CHED C=C(Cl)COC(=O)c1cc(Br)ccc1C 745253392 IKYWBTXKFFMVNI-UHFFFAOYSA-N 289.556 3.667 30 20 CHED Cc1c(N=Cc2ccccc2O)cccc1NC(=O)N(C)C 794834150 RELNKBQVMOMMRF-UHFFFAOYSA-N 297.358 3.545 30 20 CHED C#CCSCCN[C@H](c1cc(F)ccc1F)C(C)C 794819312 WEQNISLCOYIPCR-HNNXBMFYSA-N 283.387 3.618 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NO[C@@H]2CCCCO2)C1 799111955 ODZBJTYZQGMWDF-GDBMZVCRSA-N 288.391 3.947 30 20 CHED C=CCC1(NCc2ccc(Br)cn2)CCCC1 657703133 UQHCTCYYZBMZCU-UHFFFAOYSA-N 295.224 3.823 30 20 CHED COCCCCCNc1ccc(C#N)c(C(F)(F)F)c1 67370316 BHHKJEKEAXJWKR-UHFFFAOYSA-N 286.297 3.806 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H]2CCC(F)(F)C2)cc1 796737497 ZQLMBERPXYDRHW-LLVKDONJSA-N 282.286 3.592 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)C(C)C 799048846 WHBHYJGOULAPOV-RDTXWAMCSA-N 279.383 3.717 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OCC)c(Cl)c1 767057190 GVYMREQLFDAVIC-UHFFFAOYSA-N 279.767 3.727 30 20 CHED Cc1c(F)ccc2c1N(Cc1cccc(C#N)c1)CCC2 1307849413 NFJUIYNIZSRENV-UHFFFAOYSA-N 280.346 3.959 30 20 CHED COC(=O)c1cc(C)cc(N[C@@H](C)CC(C)(C)C#N)c1 1308959545 RDTANIOKGPDGMQ-LBPRGKRZSA-N 274.364 3.522 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CC)c1cc(C)ccc1C 1234561479 YSDWJHREFIDEPC-AWEZNQCLSA-N 280.799 3.806 30 20 CHED C=C(Br)CN1CCC[C@@]1(C)Cc1ccccc1 1168968777 NVOAUDLMCNNSDX-HNNXBMFYSA-N 294.236 3.992 30 20 CHED C[C@@H]1CCCCC1=NNc1ccc(C(C)(C)C)nn1 1318580069 JUXJIFFMUCZNRG-LLVKDONJSA-N 260.385 3.752 30 20 CHED N#Cc1nc(N2CC[C@@H]3CCCC[C@H]3C2)ccc1Cl 1318430836 PTJNFARULRNLJF-RYUDHWBXSA-N 275.783 3.623 30 20 CHED CC(=NOCC[C@H]1CCOC1)c1cc2ccccc2o1 1327506585 YFFLIGJVKZJFLZ-CYBMUJFWSA-N 273.332 3.600 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)o1 1322267493 HNZVFTTYZHRZIP-LLVKDONJSA-N 285.347 3.670 30 20 CHED Cc1cccc2nc(C(=O)OCCCCC(C)(C)C#N)cn12 1324685908 OKWRIFOVAPYJTQ-UHFFFAOYSA-N 299.374 3.520 30 20 CHED CCc1ccc(-c2n[nH]c(SCC3(C#N)CCC3)n2)cc1 1324488723 QUGDMKKPGFBCKJ-UHFFFAOYSA-N 298.415 3.820 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCc2c(F)cccc21 1321257768 GKYGDSVPSKTIPW-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C#CCN(Cc1cnc(-c2ccccc2)s1)CC1CC1 1253563788 XQYFZBPONVUZSN-UHFFFAOYSA-N 282.412 3.655 30 20 CHED CC(C)c1ccccc1OCCNc1cccc(CC#N)n1 1255096782 XJLYTBCSNVRNNO-UHFFFAOYSA-N 295.386 3.762 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)CC#Cc1ccccc1 1252951655 TWIPYWMMKDCSII-HNNXBMFYSA-N 295.357 3.787 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)OCc1ccc(C#N)s1 1331667543 UEDVKWFHMJPGKB-ZDUSSCGKSA-N 299.395 3.850 30 20 CHED C=C[C@H](C)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 1332226833 VTIVAPDLFLUEAC-MOVJSRMASA-N 270.159 3.697 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1cccc(CC#N)n1)CC2 1332572053 LFYGURGRNDCITP-MRXNPFEDSA-N 263.344 3.556 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H](F)C1)c1cccc(C#N)c1 1339192805 HFEDTUJZMUWPRK-XHSDSOJGSA-N 260.356 3.880 30 20 CHED C=C(CC)C(=O)N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1348223551 WCJSLXQYIMGURJ-LRDDRELGSA-N 273.376 3.571 30 20 CHED CC(C)c1nc(/C=C/c2cc(C#N)ccn2)c2ccccn12 1340087570 DGGHKCILLBIRFB-VOTSOKGWSA-N 288.354 3.895 30 20 CHED Cc1cccc2oc(C(=O)N(C)c3cccc(C#N)c3)cc12 1355532465 NHFQNCGBUPIROX-UHFFFAOYSA-N 290.322 3.890 30 20 CHED C#CCN(C(=O)c1cc(C)ccc1C)C1CCCCC1 109325954 AKQIVOBKRVADLL-UHFFFAOYSA-N 269.388 3.712 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CN=c1cc[nH]cc1C#N 1458141977 IFRIFGNKUJSHCO-HIFRSBDPSA-N 271.408 3.640 30 20 CHED C[C@H](NCc1cc2ccccc2n1C)c1ccc(C#N)cc1 1461109840 LBXARCWQCPJGKQ-AWEZNQCLSA-N 289.382 3.901 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1cccc(Cl)c1 1460132773 UYBHIUWAPGJFFJ-UHFFFAOYSA-N 298.729 3.667 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1cc(C#N)ccc1C 1539600947 FLGSYTBLMKGFPW-SFHVURJKSA-N 290.366 3.974 30 20 CHED C[C@@H](CCc1ccc(O)cc1)Nc1cc(F)cc(C#N)c1 1462505571 UJRKJOMBMRQART-LBPRGKRZSA-N 284.334 3.836 30 20 CHED N#Cc1cnnc(SCc2cccc3ccccc23)c1 1472671985 DSIAMPUQRBEODH-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CCc1c(Cl)ncnc1N[C@@H](C)c1ccc(C#N)cc1 229253845 BJHNNNFYWXBIAL-JTQLQIEISA-N 286.766 3.737 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1Cc1cc(C#N)ccc1OC 1641833728 QXMFHFAOMIMOLR-YOEHRIQHSA-N 286.419 3.967 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1Cc1cccc(C#N)n1 1658197881 UVTSOXABSZPZHA-VCBZYWHSSA-N 291.398 3.720 30 20 CHED Cc1cccc(C)c1CN(C)c1ccc(C#N)c(C)n1 1652277273 HGEWGZMGMBGYJD-UHFFFAOYSA-N 265.360 3.515 30 20 CHED C[C@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)CC(C)(C)C 1595735258 WKGXIKMAJIXWMB-LLVKDONJSA-N 298.390 3.835 30 20 CHED CN(C(=O)Nc1ccc(C#N)cc1)c1ccc2cc[nH]c2c1 1672412398 OHWYBGMAGAUQEQ-UHFFFAOYSA-N 290.326 3.708 30 20 CHED C[C@H]1Cc2ccccc2C(=O)/C1=C\c1ccc(C(=O)O)s1 1776665814 DJXZQBGIBBWCAZ-ADVUTCEVSA-N 298.363 3.905 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@H](C)c2ccc(C)c(C)c2)C1 1776157419 KNMJPFSKLJVVIK-CRAIPNDOSA-N 287.403 3.717 30 20 CHED CCCSCC(C)=NNc1cccc(C(=O)O)c1C 1776089073 AJHRDCCWVKFLEE-UHFFFAOYSA-N 280.393 3.624 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(OC)c(C)c2)cc1 11287973 GWSLMHJVZJLKLC-ONNFQVAWSA-N 282.339 3.908 30 20 CHED CCOc1cccc(/C=N/CC2(c3ccccc3)CC2)c1O 11114914 VTZPGTGWAVEGEC-DEDYPNTBSA-N 295.382 3.942 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1 160595122 YRPOOSKSXSYRPU-IAGOWNOFSA-N 293.370 3.594 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1CC=CCC1)c1ccccc1 160703949 NEFTUXMJDVJGGI-JKSUJKDBSA-N 269.388 3.819 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)Nc1ccccc1C#N 156471548 WNNIJTMRKSBABW-INIZCTEOSA-N 286.375 3.625 30 20 CHED CC(=O)c1cc2c(cc1OC[C@H](C#N)CCC#N)CCCC2 154933732 SDVVOCXSLLWFKD-AWEZNQCLSA-N 296.370 3.590 30 20 CHED C=CCC1(NCc2ccc3c(c2)COC3)CCCC1 850389130 UEZLXFYSTDIAHG-UHFFFAOYSA-N 257.377 3.695 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCCCO1 42824332 WEIYRRABMUNWMJ-LBPRGKRZSA-N 284.281 3.558 30 20 CHED C=CCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 265808531 PLTSMXSCQNWXHZ-INIZCTEOSA-N 279.811 3.662 30 20 CHED N#Cc1ccc(NC[C@H]2CCC=CO2)c(C(F)(F)F)c1 50268275 BZGTZVIEIJHOSD-LLVKDONJSA-N 282.265 3.682 30 20 CHED N#Cc1cc(N[C@H]2CCCOCC2)ccc1C(F)(F)F 184144081 ZFTRFMRSDYOKDQ-NSHDSACASA-N 284.281 3.558 30 20 CHED CCCC[C@@H](C)N(C)c1nc(C(F)(F)F)ccc1C#N 312647321 IXGOJEHTSAJXCA-SNVBAGLBSA-N 285.313 3.987 30 20 CHED CSc1ccc([C@@H](C)Nc2ccc(C#N)nc2)cc1 341259622 ABATYMCISHDBTN-LLVKDONJSA-N 269.373 3.848 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H](C)C1 361872523 HOYRXVNDHURLJN-QWHCGFSZSA-N 260.356 3.565 30 20 CHED C=CCCCCCN1CCC[C@@](O)(C(F)(F)F)CC1 367374424 IHBWVGADKPDRAE-ZDUSSCGKSA-N 279.346 3.512 30 20 CHED C[C@H](NC[C@H]1CCCC1(F)F)c1cccc(C#N)c1 390895787 DBQSKNWXRFYCAQ-SMDDNHRTSA-N 264.319 3.644 30 20 CHED COc1ccc(C=NOCc2ccccc2)c(Cl)c1 839422673 ACUYKGRZXUVEET-UHFFFAOYSA-N 275.735 3.899 30 20 CHED C=CCCSCC1CCN(C(=O)OC(C)(C)C)CC1 767220347 YWLWTYGVRQYDGI-UHFFFAOYSA-N 285.453 3.943 30 20 CHED Cc1ccc(N(C)CCCOc2ccc(C#N)cc2)cc1 50004013 XJQBZRBVMBNINR-UHFFFAOYSA-N 280.371 3.772 30 20 CHED C=CCCCCNCc1cccc(Br)c1O 309342825 VROQYYAAKCJHKZ-UHFFFAOYSA-N 284.197 3.601 30 20 CHED Cc1cc(Oc2cc(C)c(C#N)c(C)c2C)nc(C)n1 343907176 FZRRNDWVYGPDOM-UHFFFAOYSA-N 267.332 3.683 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1Cc2ccccc21 119624031 UQFPGCRGGINYKM-INIZCTEOSA-N 286.419 3.714 30 20 CHED Cc1cccc(C2(C(=O)N(C)C[C@H](C)C#N)CCCCC2)c1 68220264 AWDOZRGTJBZCMU-MRXNPFEDSA-N 298.430 3.815 30 20 CHED N#CCCCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 170819898 YJHKGBDPINVZEA-GHMZBOCLSA-N 298.169 3.944 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1cccc(F)c1 171536408 AYENTKQVUPWAEY-VOTSOKGWSA-N 261.683 3.770 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1ccc(F)cc1Cl 301279080 NDOLOJKIHHXEPR-SECBINFHSA-N 275.714 3.919 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2c(s1)CC[C@H](C)C2 302177496 XIBPZSRYWQBMPQ-LBPRGKRZSA-N 277.433 3.911 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C[C@@H](C)CCC=C(C)C 1349702904 SPTPYZNLAKMYIE-LSDHHAIUSA-N 287.407 3.852 30 20 CHED CC(C)Oc1nnc(S[C@@H](C#N)C2CCCCC2)s1 115187434 SLYAZZODYIKXKK-NSHDSACASA-N 297.449 3.890 30 20 CHED C#CCCOc1ccc(CNCc2cccc(C)c2)cc1 113317228 RMTJFLABJRHAFU-UHFFFAOYSA-N 279.383 3.687 30 20 CHED CCS[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C 66270229 TYCLCSGVQVEUTJ-CYBMUJFWSA-N 296.823 3.928 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CC2CCC2)cc1 173375304 RGXQEHXUJIQDDX-UHFFFAOYSA-N 256.349 3.616 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCC2(CO)CCCC2)c1 302354289 DMEJUVBKWWIXLS-UHFFFAOYSA-N 298.308 3.542 30 20 CHED CCOc1ccc(Nc2c(C#N)cccc2C#N)cc1F 302831400 LDKKOKDLTYUMOP-UHFFFAOYSA-N 281.290 3.711 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(CC(F)(F)F)cc1 173661900 WFVICGOHXOBETE-SNVBAGLBSA-N 286.297 3.878 30 20 CHED C[C@@H](NCCc1c(F)cccc1F)c1ccc(C#N)cc1 173963454 GNTFRHCCNKOLBR-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2CSc3ccccc32)c1 118222966 NIRCGIIVNMCJKY-MRXNPFEDSA-N 293.391 3.520 30 20 CHED C=CCCCC(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 178575196 QWWYNXYYKHBZOV-UHFFFAOYSA-N 285.347 3.805 30 20 CHED C=C(C)COCCN[C@@H](CC)c1ccc(F)cc1F 125717737 GYSUJIUUHZIVEO-HNNXBMFYSA-N 269.335 3.598 30 20 CHED C[C@H](C#N)OCCN1C[C@@H](C(C)(C)C)Cc2ccccc21 1196919966 QNUPYWNQFVYQOS-ZBFHGGJFSA-N 286.419 3.640 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H](C)c1ccccc1 123366310 SGGPETKMXNRAMA-ZDUSSCGKSA-N 295.338 3.666 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1cccs1)c1ccc(C#N)cc1 31107030 YYDFHEXNQVQRAV-NWDGAFQWSA-N 299.399 3.741 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1C1CCCCC1 125374671 CTELQSQLZIYIEI-HOCLYGCPSA-N 279.424 3.539 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1ccc(C#N)cc1F 120147145 KFIZQANKRXMLSN-CYBMUJFWSA-N 298.361 3.865 30 20 CHED CSCc1nnc(S[C@H](C)c2cccc(C#N)c2)o1 189821576 KYGLCLKRJJSUGO-SECBINFHSA-N 291.401 3.658 30 20 CHED C#CCCCCC(=O)N(CCC)CCc1cccc(F)c1 120148038 YPCKDGQWECVPKM-UHFFFAOYSA-N 289.394 3.800 30 20 CHED CC(/C=C\c1ccncc1C#N)=C\c1cccc([N+](=O)[O-])c1 504728589 DXFHDYXOXSQWKG-PWYSQUBCSA-N 291.310 3.978 30 20 CHED Cc1ccc(C(=O)N(C)c2ccccc2C#N)c2c1CCC2 410573448 IQEORDTZHCKYCA-UHFFFAOYSA-N 290.366 3.632 30 20 CHED Cc1cc(F)c(C(=O)Nc2cc(C#N)ccc2C)cc1F 125656595 PWWVRHCMMHYOPY-UHFFFAOYSA-N 286.281 3.706 30 20 CHED N#CCCCCSCc1ccn(-c2ccccc2F)n1 187517658 IHHDMTMMRCWQJT-UHFFFAOYSA-N 289.379 3.938 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)C(=O)CCC2 188490837 ZLSWPSMNSBQYIJ-QGZVFWFLSA-N 271.360 3.746 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 410829846 SLEUDZRJLYPSAP-GRYCIOLGSA-N 290.329 3.506 30 20 CHED C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(C#N)cc1F 413160859 VAYHGJZGHDHTAJ-FZMZJTMJSA-N 299.324 3.614 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccccc1 412949842 UOLZIKLSHVALLE-ARFHVFGLSA-N 281.355 3.612 30 20 CHED CCO[C@H]1C[C@H](Nc2cccc(CC#N)c2)C12CCCC2 313409778 MHRNNGMNBXLRNM-IRXDYDNUSA-N 284.403 3.902 30 20 CHED C[C@H]1CCCC[C@H]1NCc1ccc(N(C)CCC#N)cc1 72659604 ALJDFNYGZWAEJH-MAUKXSAKSA-N 285.435 3.705 30 20 CHED N#CC1(NC(=O)c2cc3ccccc3cc2O)CCCCC1 122007886 PGIWZZXPFDQOIS-UHFFFAOYSA-N 294.354 3.502 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC23CCCCC3)c1 181552091 WPDHXVLZAXDNJT-OAHLLOKOSA-N 268.360 3.512 30 20 CHED C[C@@H](NCCC#N)c1cc(F)c(Cl)cc1Cl 34981137 UZFAHMLHUYJBTL-SSDOTTSWSA-N 261.127 3.697 30 20 CHED Cc1ccc(-c2ccc(CN(CCC#N)CCC#N)o2)cc1 180042313 FUKMZDICQRMBLL-UHFFFAOYSA-N 293.370 3.884 30 20 CHED N#CC1(COC(=O)/C=C/c2nc3ccccc3s2)CCC1 183898533 KFQPQNFLSSCCEH-VOTSOKGWSA-N 298.367 3.547 30 20 CHED C#CCCCCC(=O)Nc1ccccc1CSC 128962424 ZAZDDEVEVBMLBH-UHFFFAOYSA-N 261.390 3.682 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1oc2ccccc2c1C 183629122 CWPWVRZACNZXOC-ZIAGYGMSSA-N 273.376 3.719 30 20 CHED C=CCCCC(=O)N=c1ccc2cccc(Cl)c2[nH]1 505428886 ORDRLGLUXMZBMC-UHFFFAOYSA-N 274.751 3.605 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(F)c(F)cc2F)o1 129985960 WBWXPHVYFBCZDQ-ONEGZZNKSA-N 266.218 3.901 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc2ccccc2c1 78939055 VGYUXWAPNUTCSU-UHFFFAOYSA-N 267.372 3.807 30 20 CHED C=CCC[C@@H](NCc1noc(C2CC2)n1)c1ccccc1 180035545 GGXOTUAAJOEBDD-OAHLLOKOSA-N 283.375 3.744 30 20 CHED C#Cc1cccc(NC(=O)C2CCC(C(F)(F)F)CC2)c1 216404951 BEJKWCKPYQNGEF-UHFFFAOYSA-N 295.304 3.975 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2F)C[C@H]1c1ccccc1 413198204 HPFGDAIAUSMHDB-HNNXBMFYSA-N 295.361 3.722 30 20 CHED C=CCC[C@@H](NCC(C)(C)OCC1CC1)C1CC1 414253781 DIFFIFJDHZNKKI-OAHLLOKOSA-N 251.414 3.526 30 20 CHED C=CC[C@H](C)NC(=O)c1cncc(-c2ccc(C)cc2)c1 135636621 JGCGUYDITUJFNZ-AWEZNQCLSA-N 280.371 3.751 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2cccc(C)c2)SC1=S 48402672 UHVLBZMYJGCLCX-MDWZMJQESA-N 289.425 3.772 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)s2)[C@H](c2ccccc2)CO1 130936282 LXHYOFZWZLCQLT-GUYCJALGSA-N 298.411 3.582 30 20 CHED CCC[C@]1(C)CCCN(CCCSCC#N)C1 74991951 WAIYIPXTHBFHNH-CQSZACIVSA-N 254.443 3.535 30 20 CHED N#CCN(Cc1cccc2ccoc12)C1CCCC1 449026772 GWHYZVRGDNKFKD-UHFFFAOYSA-N 254.333 3.701 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@H](C)Cc1cccc(F)c1 410830751 WTBICNPTXNPXFX-CJNGLKHVSA-N 290.382 3.545 30 20 CHED C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC(C)(C)O1 41680743 UTLXTLSQCZOHFS-SNVBAGLBSA-N 298.308 3.581 30 20 CHED COc1cc(C#N)ccc1CNC(C)(C)c1ccccc1 501200682 AOVPMOQHVLRXOQ-UHFFFAOYSA-N 280.371 3.592 30 20 CHED N#CCSCCCN1CCC[C@H]1C1CCCCC1 173869155 YSSMJJOPJZTHHE-HNNXBMFYSA-N 266.454 3.678 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CS[C@H](C)C1)c1ccccc1 412578401 CGMUPHNYXZPBJY-BMFZPTHFSA-N 289.444 3.747 30 20 CHED O=C1CC[C@@H](/C(O)=N/C2CCC3(CC2)CC3)n2cccc21 329883566 REPUQXMDTWFPHS-AWEZNQCLSA-N 286.375 3.685 30 20 CHED O/C(=N/C[C@H]1CCCCS1)Nc1scnc1C1CC1 329579998 UMBCNXADXFSYEP-SNVBAGLBSA-N 297.449 3.632 30 20 CHED O/C(=N/[C@H]1C=CCCC1)c1coc(C2CCCC2)n1 328708859 FTHDGOKQQSJCNI-LBPRGKRZSA-N 260.337 3.746 30 20 CHED N#Cc1ccc(NCC[C@@H]2CCCCO2)cc1Cl 227316353 ZWCBXZCSEBRTAG-ZDUSSCGKSA-N 264.756 3.583 30 20 CHED CN(Cc1ccccc1Cl)C(=O)c1cccc(CC#N)c1 42234644 NOLVXCACERCVSP-UHFFFAOYSA-N 298.773 3.678 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(C#N)c(C#N)c1C 421555694 IINJUTDWJFGRKQ-NSHDSACASA-N 283.375 3.749 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3ccnc(C#N)c3)C2)cc1 516884816 SODAYVCCSGIPMD-GOEBONIOSA-N 277.371 3.644 30 20 CHED CC[C@H](NC(=O)N(C)C[C@H](C)C#N)c1cccc(Cl)c1 46041451 AEKNVJFKWOBYIA-RISCZKNCSA-N 293.798 3.592 30 20 CHED C=CCCC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 134686778 OHFBPSYHFQXKSM-UHFFFAOYSA-N 290.363 3.843 30 20 CHED C=CCCCCCN1CCC(Oc2ccc(F)nc2)CC1 193578721 BKJJNOZKBNJDRH-UHFFFAOYSA-N 292.398 3.810 30 20 CHED CC(C)c1ccc(OCCNc2ncccc2C#N)cc1 41437859 SEFBGLCFGYPLTH-UHFFFAOYSA-N 281.359 3.568 30 20 CHED CCCCCCCCC[S@@](=O)Cc1ccon1 190804829 BWUOXLUJNUYOOV-QGZVFWFLSA-N 257.399 3.674 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](C)c1ccc2ccccc2c1 84583381 NNCSIWMNCSIIKA-LSDHHAIUSA-N 294.398 3.951 30 20 CHED N#Cc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2)c1 43330095 SXQPLZNUDWWUPV-KRWDZBQOSA-N 291.354 3.927 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](CC)C1 518569880 KZPVWHLCVVHBIK-KGLIPLIRSA-N 276.428 3.604 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N[C@](C)(C#N)C(C)C 513451532 HZNPCRBWZLBPSO-GOEBONIOSA-N 264.413 3.647 30 20 CHED COc1cccc(C2(NCc3ccc(C#N)c(C)c3)CC2)c1 510252180 FFJNJABRFKLJNC-UHFFFAOYSA-N 292.382 3.654 30 20 CHED O=C1/C(=C/c2cc(Cl)cs2)Cc2cc(O)ccc21 195340247 NQFNGWAUMKOBQX-WEVVVXLNSA-N 276.744 3.930 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)NC[C@@H](C)C#N 517220746 PNHBPSSQPJHKBA-UONOGXRCSA-N 267.417 3.536 30 20 CHED C#CCCCC(=O)Nc1ccc(-c2nccs2)cc1 192077693 CYPIBEWPFPSCSJ-UHFFFAOYSA-N 270.357 3.552 30 20 CHED C=CCN(CCCO[C@H]1CCCCO1)Cc1cccs1 338262255 HWIOYHRMZVPKHE-INIZCTEOSA-N 295.448 3.669 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](CC)c1nc(C)cs1 424646558 JHVJBEPWKDGZII-NSHDSACASA-N 266.410 3.621 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccc([N+](=O)[O-])cc1 88154531 RDKXUPUMLZLKTG-UHFFFAOYSA-N 282.299 3.662 30 20 CHED CCCCn1ncc(N=C(O)N2[C@@H](C)CC[C@@H]2CC)c1C 330665661 VRMPTTXXDZZSSS-JSGCOSHPSA-N 292.427 3.800 30 20 CHED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCC(C)(C)C#N 512919194 XSSOSXJRODLOIT-AWEZNQCLSA-N 299.418 3.546 30 20 CHED CC(C)C(CNC(=O)Nc1ccc(CC#N)cc1)C(C)C 194585539 HNUXYGBYLGSMGR-UHFFFAOYSA-N 287.407 3.802 30 20 CHED CC(C)Oc1ccc2[nH]ccc(=N[C@@H]3CC[C@H](C#N)C3)c2c1 425278814 ZQMMFOYJXQVCFC-UONOGXRCSA-N 295.386 3.548 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CCC23CCC3)cc1 335836277 RAPXSBUYFFPWJL-UHFFFAOYSA-N 283.375 3.648 30 20 CHED C=CCN(CCC#N)[C@H]1CCc2ccc(Cl)cc21 428840808 OJPTZIBAICDIOL-HNNXBMFYSA-N 260.768 3.729 30 20 CHED C=CCCC(=O)N1CC=C(c2ccc(CC)cc2)CC1 92992893 FIRCRCJORXBYQQ-UHFFFAOYSA-N 269.388 3.831 30 20 CHED COCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 338362640 RMFIETFDFAUZAU-KXBFYZLASA-N 294.398 3.987 30 20 CHED N#Cc1cc(F)ccc1CN[C@H](c1ccccc1)C(F)F 433048937 ZRSHVNPBZNKUFY-OAHLLOKOSA-N 290.288 3.793 30 20 CHED C[C@H](C#N)C(=O)NCc1ccc(Sc2ccccc2)cc1 437471103 HWBZVZPHNSOQGA-CYBMUJFWSA-N 296.395 3.614 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccccc1C#N 522468422 CKQKQAYNAVXWNU-BEFAXECRSA-N 276.383 3.936 30 20 CHED CC(C)(C#N)CCOc1ccc2c(c1)C(=O)CCC2 232524890 KWTZIJCJZCMGIO-UHFFFAOYSA-N 257.333 3.524 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCc3ccc(F)cc32)c1 93115897 KGDYMORDIDJZBV-GOSISDBHSA-N 280.346 3.865 30 20 CHED CC#CCN(CCc1ccc(Cl)cc1)CC1CC1 525128079 WKEPDOFIPPCQOI-UHFFFAOYSA-N 261.796 3.618 30 20 CHED COCc1ccc(NC(=O)CC2(C)CCCC2)cc1C#N 529813994 HHCFQFPQVMYPHR-UHFFFAOYSA-N 286.375 3.614 30 20 CHED C=CCC[C@H](C)N[C@@H](CCO)c1ccc(Cl)cc1 348246130 RRXSRYZSDVNTEP-WFASDCNBSA-N 267.800 3.708 30 20 CHED CCN(CCCN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 248790448 ISRWPBIBVABGHP-SJORKVTESA-N 285.435 3.575 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)C(C)C 439112149 YBKHUJXAZLFGTQ-UHFFFAOYSA-N 289.419 3.892 30 20 CHED C=CCCOCCCCC(=O)N1[C@@H](C)CC[C@H]1CC 343049825 INBCCPRCLZBGPL-LSDHHAIUSA-N 267.413 3.539 30 20 CHED CCc1cc2c(NCCCCC#N)nc(C)nc2s1 603288216 ODIZAHMYXLKMKE-UHFFFAOYSA-N 274.393 3.668 30 20 CHED C=C(CN[C@@H](C)c1cncc(F)c1)c1ccccc1 346778051 LPUZWCRUIJCNIY-ZDUSSCGKSA-N 256.324 3.585 30 20 CHED C=CCCN(C)Cc1ccn(-c2ccc(Cl)cc2)n1 342729376 DOKHJARLJMFZOC-UHFFFAOYSA-N 275.783 3.534 30 20 CHED CC(C)(C)CC(=O)COc1ccc(C#N)c(Cl)c1 344118175 YQUWYHWQQZTOMV-UHFFFAOYSA-N 265.740 3.596 30 20 CHED CC[C@H](CC#N)N=c1[nH]c2cc(Cl)cc(Cl)c2o1 432828695 LSTWHONBDNFLPO-MRVPVSSYSA-N 284.146 3.661 30 20 CHED C[C@H](CCC#N)CNC(C)(C)c1ccc(F)c(F)c1 602565549 SBMCVHBDDNEOEV-LLVKDONJSA-N 266.335 3.729 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2cc(C#N)cn2C)n1 341164657 DTOVKGPXOGVPPV-QWHCGFSZSA-N 284.363 3.631 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc(Cl)cc(Cl)c1F 602353194 AEEVRFPRSOSDTF-QMMMGPOBSA-N 289.137 3.507 30 20 CHED C[C@@H](C(=O)NCC#Cc1ccccc1)c1cccc(Cl)c1 525674497 KSWVNDFHZNCEHY-CQSZACIVSA-N 297.785 3.611 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1[C@@H](C2CC2)[C@H]1C 528154304 FDEZXRRQAWEKAR-SSKCKEOISA-N 298.386 3.576 30 20 CHED Oc1ccccc1/C=N\[C@H]1CCCN(c2cccc(F)c2)C1 255330191 DFWVHJWQEXOPJL-DEFALTHMSA-N 298.361 3.619 30 20 CHED C[C@@H]1CCC[C@@H](OCCCCCC(=O)NCCCC#N)C1 342621306 ARFXZBUCKANSKL-HZPDHXFCSA-N 294.439 3.562 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CC[C@H](c3ccccc3F)C2)C1 442876318 VCSIRIMDQWIOME-QPSCCSFWSA-N 272.367 3.744 30 20 CHED C=CCN1CCC(N[C@H](CCC)C2CCCC2)CC1 449122072 KHFWSMSVQFXNEU-QGZVFWFLSA-N 264.457 3.585 30 20 CHED CCO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C1(CC)CC 344693284 IRWHNIOZYILTKG-HUUCEWRRSA-N 292.448 3.693 30 20 CHED CCOCc1cccc(N=Cc2ccccc2O)c1 255497284 FRRGJJUXIOGEES-UHFFFAOYSA-N 255.317 3.679 30 20 CHED C=CCC1(C(=O)NCc2nccc3ccccc23)CCCC1 449213050 WRQXVCPBCNJAKL-UHFFFAOYSA-N 294.398 3.988 30 20 CHED Cc1ccc([C@@H](C)CN2CCC[C@](C)(C#N)C2)cc1 600146431 WIWXIYJPZSHNJZ-DOTOQJQBSA-N 256.393 3.724 30 20 CHED CC(C)COc1ccccc1NCc1cccc(C#N)n1 602492313 OUJPTJHYDFMVIR-UHFFFAOYSA-N 281.359 3.600 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1ccc(F)c(C#N)c1 445890550 OIFFPJDQHASJJN-CYBMUJFWSA-N 288.288 3.764 30 20 CHED C[C@H](CCC#N)CN(CCC(F)(F)F)CC1CC1 602483692 JRSGKAGFOWJAJG-LLVKDONJSA-N 262.319 3.591 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1F 255068914 DPHVNUWQYJCBBC-DJWKRKHSSA-N 287.315 3.664 30 20 CHED C[C@H](CCC#N)CNCCCc1c[nH]c2ccccc12 602537358 DTSUAZSYRMDGBZ-CQSZACIVSA-N 269.392 3.630 30 20 CHED CSCC1CCC(N[C@H]2CCC[C@H](C#N)C2)CC1 449421350 ILTJEKHPOCINQP-SHWKFHJASA-N 266.454 3.580 30 20 CHED CN(C)c1ccc(C(F)(F)F)cc1N[C@H]1CC[C@H](C#N)C1 442871267 FFBQFVRDZVJKIQ-JQWIXIFHSA-N 297.324 3.876 30 20 CHED Cc1nc2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2s1 442856038 QUOWLBHGCHVVFA-WDEREUQCSA-N 257.362 3.709 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1cc2c(cc1Cl)CCC2 530020686 BJQJQCLGZXGFFP-UHFFFAOYSA-N 299.761 3.589 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1cc(Cl)sc1Cl 536121701 NROFTWJDZDRLEI-SSDOTTSWSA-N 293.219 3.819 30 20 CHED N#CC1(c2ccc(C(=O)N3CC[C@H](CC4CC4)C3)cc2)CC1 359670087 MXDRWCMXTPAINW-OAHLLOKOSA-N 294.398 3.504 30 20 CHED N#Cc1cc(CN2CCC[C@@H]2c2ccc(O)cc2)ccc1F 610719323 JRFCHCLNWNTVMR-GOSISDBHSA-N 296.345 3.740 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(F)cc1C#N 531192239 DHKVRTXNFCABEB-RYUDHWBXSA-N 274.339 3.852 30 20 CHED Cc1ccnc(N[C@@H](CCC#N)c2ccccc2)c1 269736178 UEFSBJGHPSQXCB-HNNXBMFYSA-N 251.333 3.847 30 20 CHED Cc1cc(-c2noc([C@H](C)ON=C3CCC3)n2)ccc1F 266615434 JNNQUGHUJMBJKV-JTQLQIEISA-N 289.310 3.802 30 20 CHED C=CCCCCCN1CCC[C@]2(CCCCO2)[C@@H]1C#N 447902351 DXSYQLJXGUIBGU-DLBZAZTESA-N 276.424 3.660 30 20 CHED CC(C)C(C)(C)CNC(=O)C[C@H](CC#N)c1ccccc1 356982384 WDEUZCRISKAQRA-INIZCTEOSA-N 286.419 3.872 30 20 CHED C=CCCS[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 610088838 DIWKQFCYGXPPCR-CYBMUJFWSA-N 281.808 3.755 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCCOC1CCCCC1 539388708 XDCOQALSBDDGFB-HNNXBMFYSA-N 296.455 3.770 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H](CCc2ccccc2)C(F)F)C1 613666823 BAIASMWWXSFIOC-KFWWJZLASA-N 278.346 3.535 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCC(F)(F)C1 619535306 AHYRZXFBCKUONK-CJNGLKHVSA-N 290.357 3.961 30 20 CHED N#Cc1cnc(C(=O)Nc2ccc(C3CC3)cc2)c(Cl)c1 611331560 YTRQUMFQCAUROP-UHFFFAOYSA-N 297.745 3.736 30 20 CHED CC(C)c1ccc(CCNCc2ccc(C#N)o2)cc1 537213110 QCXXXOWOSOHFTF-UHFFFAOYSA-N 268.360 3.607 30 20 CHED CC[C@@H](NCc1ccnc(C)c1)c1ccc(C#N)cc1 453278994 DGJNBVHPLLQKIR-QGZVFWFLSA-N 265.360 3.503 30 20 CHED C[C@]1(NCc2ccccc2C#N)CCCc2ccccc21 539807710 ATBVHPNRKIMICM-IBGZPJMESA-N 276.383 3.900 30 20 CHED Cc1cccc([C@H](c2noc([C@]3(C#N)C[C@@H]3C)n2)C(C)C)c1 453177720 GOIYYTBASFZGBX-JOQOYGCGSA-N 295.386 3.967 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)N(C)CC(C)(C)C#N 458670020 TUSQRKCOAIVDGB-AWEZNQCLSA-N 287.407 3.556 30 20 CHED C[C@H](CCNC(=O)N1CCC[C@@](C)(C#N)C1)CC(C)(C)C 615477829 HGCMPSQJDJHZHL-PBHICJAKSA-N 293.455 3.784 30 20 CHED Cc1ccc(OC(F)F)c([C@H](C)NCCCC#N)c1 273170023 BPQSJEMHYPWGLL-NSHDSACASA-N 268.307 3.551 30 20 CHED CC(C)Sc1ccccc1C(=O)NCC(C)(C)CC#N 457995054 ZAOORHPMCZOXMJ-UHFFFAOYSA-N 290.432 3.857 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cnc(C#N)c(Cl)c1 455787144 NJSAVVKOBBRNDJ-UHFFFAOYSA-N 294.786 3.697 30 20 CHED C=C(CNC(=O)c1coc2ccccc12)c1ccccc1 360220633 JLWFUBCCBMKFMM-UHFFFAOYSA-N 277.323 3.876 30 20 CHED CCC1(CC)[C@@H](Nc2ncc(C#N)cc2Cl)C[C@H]1OC 360774141 WYOQTRDFNHCLJV-QWHCGFSZSA-N 293.798 3.612 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C1CCC1 457491201 AWAHMBFEAVUYIR-CQSZACIVSA-N 284.403 3.731 30 20 CHED CC(C)(C#N)CCCCN1CCCN(c2ccccc2)CC1 277690185 LFSMMIJMDMCOAT-UHFFFAOYSA-N 299.462 3.919 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1ccccc1SC)OCC 270174740 LXGIHCJLPHTOJK-AWEZNQCLSA-N 293.432 3.743 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)c(F)c1 453367831 DSEKWGOHOXOMEL-SFHVURJKSA-N 280.346 3.783 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 278554117 OTXGVNVAYXPTCT-RULNRJAQSA-N 296.823 3.559 30 20 CHED C=C[C@@H](CC(=O)NCCC=C(C)C)c1ccccc1 276726462 UMSGTNDLOOFUDU-HNNXBMFYSA-N 257.377 3.819 30 20 CHED CC[C@H](NCC1(CCO)CCCC1)c1ccc(C#N)cc1 278904366 ZQPZHRWCJQUVQU-KRWDZBQOSA-N 286.419 3.542 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1cccc(CC#N)c1 546162743 ZKZGJICSXALBPW-HNNXBMFYSA-N 292.382 3.861 30 20 CHED CC(C)c1cc(N2CCC(CC#N)CC2)nc(C(C)C)n1 542864271 SRMHMLILEAFWPH-UHFFFAOYSA-N 286.423 3.853 30 20 CHED C[C@@H](NCCc1ccc(F)cc1)c1ccc(C#N)c(F)c1 540701180 BODDGHZVYIHCJG-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C=CCC[C@H](CCC)NC[C@]1(C)CCO[C@@H]1C1CC1 468048042 MUFSKLSECYAKIU-BBWFWOEESA-N 265.441 3.916 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 460555228 KMBIDXADKDAKBR-ZIAGYGMSSA-N 276.428 3.602 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCC1CC1 466416398 JHTZBAGEUFOESX-UHFFFAOYSA-N 299.418 3.526 30 20 CHED C[C@H](C(=O)N[C@H]1C[C@H]1C1CCCCC1)c1cccc(C#N)c1 462149291 CSFOFEWBAFLROS-KKXDTOCCSA-N 296.414 3.747 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1c1cc(C#N)ccn1 557673201 VGZPUNXCWLFRKG-YOEHRIQHSA-N 277.371 3.726 30 20 CHED CN(Cc1cc(F)ccc1Br)CC(C)(C)C#N 552085788 MUJJVBVWFUNOLF-UHFFFAOYSA-N 299.187 3.570 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](N=c1cc[nH]c(C#N)c1)CC2 557660503 PJGDDEDITAXZJN-SFHVURJKSA-N 277.371 3.598 30 20 CHED C=CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 552867618 HWEQQIAUNUOXLG-BQFCYCMXSA-N 283.415 3.995 30 20 CHED C[C@H](CCNCCc1cccc(C#N)c1)c1ccccc1 467543078 MNIWVRZMPXCJIN-MRXNPFEDSA-N 278.399 3.884 30 20 CHED CCOc1ccc(F)c(NCc2ccc(C#N)cc2)c1F 556047965 SVUUTXWHKWAXDS-UHFFFAOYSA-N 288.297 3.847 30 20 CHED CC(F)(F)c1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 289688123 GIESNTKRSUSVIR-UHFFFAOYSA-N 289.285 3.794 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC=CC[C@H]1C 556397338 CEBOTXLIBXPQTG-NVXWUHKLSA-N 269.388 3.804 30 20 CHED C=CCCC1(C(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)CC1 476301790 RTGBSWAVQWLGMK-CPUCHLNUSA-N 299.414 3.802 30 20 CHED C#C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C 809685415 SKKKYIHINFCPPX-OAHLLOKOSA-N 298.342 3.602 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C 473842140 IIEBYHUYLJXASI-LSDHHAIUSA-N 293.451 3.833 30 20 CHED N#Cc1ccc(CN=c2[nH]c(-c3ccccc3)cs2)s1 554008147 WRPSRULBLALHEV-UHFFFAOYSA-N 297.408 3.777 30 20 CHED C=CCN(C)C(=O)Nc1cc(C(C)C)nn1-c1ccccc1 290708885 VTUKMJQGJROTIM-UHFFFAOYSA-N 298.390 3.645 30 20 CHED C[C@](C#N)(NC(=O)[C@H]1CC12CCCC2)C1CCCCC1 550748062 OAKVYYNFXXNZHR-GDBMZVCRSA-N 274.408 3.545 30 20 CHED C=CCOCCCN1c2ccccc2SC[C@H]1C 470764652 KBNWJBSWWYCXEE-CYBMUJFWSA-N 263.406 3.580 30 20 CHED C#Cc1ccc(CN[C@@H]2CCO[C@H](C(CC)CC)C2)cc1 809635290 VRPLEHXRWCFUGE-MOPGFXCFSA-N 285.431 3.741 30 20 CHED C[C@H](C#N)OCCN[C@H](c1ccccc1F)C1CCCC1 801938730 IOWHBVFAVOXFRL-DYVFJYSZSA-N 290.382 3.575 30 20 CHED CSc1ccccc1COC(=O)CCCCCC#N 805696859 NPKLJNFFDAYTRJ-UHFFFAOYSA-N 277.389 3.926 30 20 CHED C=CCCCCNC(=O)[C@@H](c1ccccc1)N(CC)CC 471701536 IJHZLFSWURCMIA-QGZVFWFLSA-N 288.435 3.542 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc([C@H]2CCOC2)cc1 297389335 MMWJBVRGNLHRFQ-LSDHHAIUSA-N 288.391 3.667 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H]1C 567093023 CXWPDOXJMNKRNP-CYBMUJFWSA-N 274.412 3.501 30 20 CHED C=C(Cl)CNCc1cccc(Br)c1Cl 706511638 RGUFZBUTEYQWHX-UHFFFAOYSA-N 295.007 3.945 30 20 CHED C#C[C@H](NC(=O)c1oc2c(F)cccc2c1C)C(C)(C)C 807881277 FFCYLEWGMKBMBH-ZDUSSCGKSA-N 287.334 3.658 30 20 CHED COc1ccc(/C=C2/Cc3ccccc3C2=O)c(C)c1OC 806569200 MXVRGXJFGOOZGU-GDNBJRDFSA-N 294.350 3.835 30 20 CHED C#C[C@H](NC(=O)CC/C=C\c1ccccc1)C(C)(C)C 807883742 PNZQMDSQOJMMSV-OVHOFWQVSA-N 269.388 3.644 30 20 CHED Cc1cc(CNc2cccc3cc[nH]c23)ccc1C#N 566953248 DPPHMOAFSMHOEK-UHFFFAOYSA-N 261.328 3.960 30 20 CHED Cc1ccc(C)c(NC(=S)NCC(C)(C)CCC#N)c1 806599340 YUSNPPSGINIKCO-UHFFFAOYSA-N 289.448 3.920 30 20 CHED Fc1cccc(C=NOCc2cccc3cccnc23)c1 809839030 IFRRMSUKSVFOCO-UHFFFAOYSA-N 280.302 3.925 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(C)cn1 806406078 TUQCPLUITPUVJJ-UHFFFAOYSA-N 261.369 3.648 30 20 CHED C=C(C)CCc1noc(-c2cnccc2C(F)(F)F)n1 563421425 LDGKDMNDSMJGED-UHFFFAOYSA-N 283.253 3.659 30 20 CHED C/C=C\c1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1 564201327 LQINTWXKSUZHJC-IHWYPQMZSA-N 291.354 3.642 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2c(F)cccc2F)no1 561867639 BGPLJVXSJGMLQU-OAHLLOKOSA-N 278.302 3.792 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(N2CCC(C)=N2)cc1 489968680 YOFHHNJRDLCVLK-UHFFFAOYSA-N 299.418 3.605 30 20 CHED C=CCCN(C)c1ncc(C)c(-c2ccccc2F)n1 645041048 LWXUZHSDUAOHSY-UHFFFAOYSA-N 271.339 3.603 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1 819101371 SJVYXCWNTJCKMC-UHFFFAOYSA-N 286.419 3.505 30 20 CHED Cn1cc(CN2CC3(CCCC3)c3ccccc32)cc1C#N 483320816 NUPPCVBEYJMRIO-UHFFFAOYSA-N 291.398 3.729 30 20 CHED C=CCN(CCOC)[C@H](C)c1ccccc1Cl 561634461 GMELZYGDBPJOTR-GFCCVEGCSA-N 253.773 3.535 30 20 CHED CC(=NNc1cc(C)ccc1C)c1csc(C(=O)O)c1 814753690 VVJPBWMNILLRBI-UHFFFAOYSA-N 288.372 3.899 30 20 CHED Cc1cc(NN=C[C@@H](C)C2CCCCC2)nc(C)n1 814807044 CTPMIGJLXGUIFI-LLVKDONJSA-N 260.385 3.708 30 20 CHED CCC1(CC)[C@@H](N(C)CCCC(C)(C)C#N)C[C@H]1OC 485755731 VYCCAGAOIIAOKC-LSDHHAIUSA-N 280.456 3.842 30 20 CHED CCCN(CC#N)CCOc1ccc(Cl)cc1Cl 480124959 OIQMDJLBRJGUAU-UHFFFAOYSA-N 287.190 3.608 30 20 CHED N#CCCCC(=O)OCc1cncc(-c2ccsc2)c1 816258304 IELRCGUCXOFIEX-UHFFFAOYSA-N 286.356 3.547 30 20 CHED CC(=NOC1CCC1)c1ccc(NC(=O)NC(C)C)cc1 812235468 VRFIBLBBCNWAOO-UHFFFAOYSA-N 289.379 3.510 30 20 CHED C=CC[C@@H](NCc1ccsc1C)c1ccncc1 815124576 CYCKGCQBRFJPHM-OAHLLOKOSA-N 258.390 3.859 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(C#N)s2)c1 487534706 HFILIHBYNMGZOR-CYBMUJFWSA-N 298.411 3.598 30 20 CHED C=C[C@@H]1CCCCN1c1ccnc2cc(F)ccc12 486488001 MWQFBIUCFVCJSQ-CYBMUJFWSA-N 256.324 3.919 30 20 CHED C=CCC(F)(F)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 815770354 MAAJAILKNRWIPJ-UWVGGRQHSA-N 299.283 3.683 30 20 CHED C=CC[C@@H]1CCCN(Cc2cc(C(=O)O)ccc2Cl)C1 656760152 PRDLDEOBEOZVNW-GFCCVEGCSA-N 293.794 3.826 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1c[nH]nc1C 814935095 LRQICJOFBOPSTL-UHFFFAOYSA-N 270.380 3.986 30 20 CHED CC(CCCCCCC(=O)O)=NNCC1CCCC1 814933369 MHYNPOWIGBHKEU-UHFFFAOYSA-N 268.401 3.567 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 570079504 MTYUWOSLBRHNOZ-UHFFFAOYSA-N 287.319 3.807 30 20 CHED O=[N+]([O-])c1cccc(-c2ccc(C=NOC3CCC3)o2)c1 812235051 JQFJERWWESPAIE-UHFFFAOYSA-N 286.287 3.758 30 20 CHED Fc1ccc(NN=C2CC[C@@H](c3ccccc3)C2)nc1 814842736 QPHLLCFLOWNVDL-CYBMUJFWSA-N 269.323 3.956 30 20 CHED CCOc1ccc(NN=Cc2ccc(C)s2)cc1 814984847 WCRVGECAFKIXRY-UHFFFAOYSA-N 260.362 3.901 30 20 CHED FC(F)(F)Oc1ccc(C=NOC/C=C\Cl)cc1 811669341 DIFJCZMKRWCMKQ-UDDHDNKLSA-N 279.645 3.688 30 20 CHED CC(C)(C)c1cnc(C=NOCCC2CC2)s1 814941341 GIGFRLBWXMLTIF-UHFFFAOYSA-N 252.383 3.591 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2cccc([N+](=O)[O-])c2)CS1 814694401 IQIAKGQXDQVHOJ-ZDUSSCGKSA-N 293.392 3.914 30 20 CHED CC(=NO[C@H]1CCCCO1)c1nccc2ccccc12 811646167 NFSZGTYZQLWNMW-HNNXBMFYSA-N 270.332 3.502 30 20 CHED C=CCC1(NCc2ccc3c[nH]nc3c2)CCCC1 657703543 ZWHBWWGJUXBEDB-UHFFFAOYSA-N 255.365 3.541 30 20 CHED CCOCC(C)=NNc1ccc(Cl)cc1Cl 726423859 LUHSELBTHYEOGS-UHFFFAOYSA-N 261.152 3.818 30 20 CHED N#CCCC1CCN(C(=O)Cc2coc3ccccc23)CC1 570518287 YTWDOKVQWJSXBO-UHFFFAOYSA-N 296.370 3.518 30 20 CHED C=C(C)C(C)(C)C(=O)OCC[C@@]1(C)C[C@]1(F)Cl 822031130 DNWQKNLWXHWCSR-QWHCGFSZSA-N 262.752 3.837 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](NC(C)C)C1 728605263 WLTZVPLXJGDWON-INIZCTEOSA-N 282.472 3.726 30 20 CHED C=CCCC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 726502487 FCFVJQHMJSBIRH-KBPBESRZSA-N 251.414 3.921 30 20 CHED C=CCN1CCC(NCc2cccc(C(C)C)c2)CC1 663316018 RYSOYZRIJLWCCH-UHFFFAOYSA-N 272.436 3.550 30 20 CHED C=CCOc1ccc(C(=O)NC2[C@@H](C)CCC[C@@H]2C)cc1 499169312 MQPFHCBBGQUUBK-KBPBESRZSA-N 287.403 3.806 30 20 CHED CCn1nccc1-c1ccc(C2(C#N)CCC2)cc1 906159571 SQLYJXLVHSKNOA-UHFFFAOYSA-N 251.333 3.515 30 20 CHED COc1cccc(OC)c1/C=C1/Cc2ccc(F)cc2C1=O 588386514 AXEFWMJYZXGUIO-XFXZXTDPSA-N 298.313 3.665 30 20 CHED C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)CC(C)(C)CC(=O)O 902349477 FMKFHUXPQDAGNO-RRFJBIMHSA-N 281.440 3.990 30 20 CHED C=CCOc1cccc(NC(=O)c2ncoc2C(C)C)c1 731978031 IVUQVPCYGBFQDD-UHFFFAOYSA-N 286.331 3.615 30 20 CHED C=CCC1(NC(=O)N[C@H](CC)c2ccncc2)CCCC1 664210688 ZZTKWMMUBSETKA-OAHLLOKOSA-N 287.407 3.721 30 20 CHED C=CCC1(NC[C@H](C)c2ccc(F)cc2)CCOCC1 668550724 FHIMGRXVQKVHCB-AWEZNQCLSA-N 277.383 3.644 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H]1CCC(C)(C)C1 498286472 RONJYSKUPABHEF-AWEZNQCLSA-N 290.407 3.598 30 20 CHED Cc1nccc(CSCCCCC2(C#N)CCC2)n1 901789604 ZXRCTTOLSIUJDV-UHFFFAOYSA-N 275.421 3.882 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccnc1 588203900 SQAMIGYYSYHNHP-GOSISDBHSA-N 277.371 3.599 30 20 CHED C=CCOc1ccccc1C(=O)N(C)Cc1ccc(C)cc1 497430117 JLJDLUZKMTYTGN-UHFFFAOYSA-N 295.382 3.832 30 20 CHED N#CC1(CCCCOC(=O)c2ccc3n[nH]cc3c2)CCC1 908644368 YVSFLGFWVRKDLG-UHFFFAOYSA-N 297.358 3.584 30 20 CHED CCCCCCCC(=O)N1CCS[C@@H](C)[C@@H]1C 735643570 DEEONXKSOSRPQJ-STQMWFEESA-N 257.443 3.699 30 20 CHED CC(C)[C@@H](NCC1(C#N)CCC1)c1ccc2nc(O)oc2c1 903033749 YRUSIHXQNSQLMO-OAHLLOKOSA-N 299.374 3.514 30 20 CHED C[C@H](C#N)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 736675960 PGCNLMFOEZUXBO-MFKMUULPSA-N 296.292 3.529 30 20 CHED CC[C@@H](NCc1cnccc1C)c1cccc(C#N)c1 903007681 FIHGAYBYAGXNNC-QGZVFWFLSA-N 265.360 3.503 30 20 CHED C#Cc1cccc(NC(=S)NC[C@@H](C)C(C)(C)C)c1 734308225 CLXOZKKEAVNWJW-GFCCVEGCSA-N 274.433 3.637 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc(C(F)F)cc1 839036608 XCYLCLSOHLZERO-SNVBAGLBSA-N 252.260 3.583 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)C#CC(C)(C)C)c1 837403046 YTQMLXZZAXNXSR-CQSZACIVSA-N 257.377 3.530 30 20 CHED CCOc1cc(C)ccc1NC(=O)CCCCCC#N 588751325 QFTYCONWRUTVER-UHFFFAOYSA-N 274.364 3.806 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(CN(CC)CC)o1 678881225 AORSAFNQEFRVJZ-CQSZACIVSA-N 292.423 3.596 30 20 CHED C=CC[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccncc1 734237326 NSHGDKBDMKTAAC-OAHLLOKOSA-N 291.354 3.610 30 20 CHED COc1ccc(O)c(/C=N/Cc2ccc([C@@H]3C[C@H]3C)o2)c1 917556870 QCRVNFXAOOFULT-WDNOUTAYSA-N 285.343 3.736 30 20 CHED C=CCC(F)(F)C(=O)N[C@@](C)(Cc1ccccc1)C1CC1 837162308 JNZNTZRFJWEDGN-INIZCTEOSA-N 293.357 3.725 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(-c2ccccc2)c(C)s1 593412887 YRVSXOYZJOMCJM-LLVKDONJSA-N 285.372 3.607 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(Cl)cc1Cl)C1CC1 598123742 LDQXBXLJTUKXDN-MRVPVSSYSA-N 283.158 3.510 30 20 CHED CC(=NNc1ccccn1)c1cccc(C(F)(F)F)c1 916276071 IYEASLGSDVPKAJ-UHFFFAOYSA-N 279.265 3.937 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCn2ccc3ccccc32)C1 839045968 ZHKAVYQGAGIZEH-ZBFHGGJFSA-N 296.370 3.657 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(C)cs1 835038326 VWGIMGIPAWOXBG-FRRDWIJNSA-N 276.405 3.844 30 20 CHED C[C@H](N(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1)C(C)(C)C 593958607 LGFRLGFXZPELIQ-KGLIPLIRSA-N 286.419 3.630 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC(C)(C)c2ccccc21)OCC 677312172 HZTYOZVDTUGQDG-MRXNPFEDSA-N 287.403 3.682 30 20 CHED CCCCCCCCC(=O)NCC1(N(C)C)CCCC1 915266889 ITCLNJHPIMDTTH-UHFFFAOYSA-N 282.472 3.728 30 20 CHED N#CCNC(=O)c1ccc(-c2ccc(C3CCC3)cc2)cc1 592987050 UAUFIXCKHPFJEI-UHFFFAOYSA-N 290.366 3.874 30 20 CHED Cc1n[nH]cc1C=NN(Cc1ccccc1)c1ccccc1 915933593 DKDAKXCOXGWVRS-UHFFFAOYSA-N 290.370 3.759 30 20 CHED Cc1cc(-c2cc(C(F)(F)F)nn2C)cc(C)c1C#N 592988172 HCQYTDDNNGRCIQ-UHFFFAOYSA-N 279.265 3.594 30 20 CHED N#Cc1ccsc1NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 598799928 KALKAGKOEZLFEI-ITGUQSILSA-N 274.389 3.775 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 591003945 PZERKEQNWKTQJW-DBIOUOCHSA-N 288.416 3.900 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc3c(c2)CCO3)c1 915987067 QGDVPOARSMDEGC-VURMDHGXSA-N 294.350 3.916 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@H](C)CC(F)(F)F)cc1 840873047 PSYOEZDXQPQROU-CHWSQXEVSA-N 299.336 3.938 30 20 CHED C=C(C)CNC(=S)N[C@H](c1ccc(CC)cc1)C(C)C 747755710 VLMMDPBVPFSVIV-INIZCTEOSA-N 290.476 3.986 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H]1CCCS1 743316247 PIKRCWPDSUXBAM-ZIAGYGMSSA-N 271.470 3.995 30 20 CHED CNC(=O)c1ccc(/C=C\C(=O)c2cc(C)ccc2C)cc1 912779210 ULDRBOYCZTZIFP-FLIBITNWSA-N 293.366 3.559 30 20 CHED CC1(c2noc(/C=C/c3cccc(C#N)c3)n2)CCCC1 599197515 JJQQBNADCVNDSY-BQYQJAHWSA-N 279.343 3.943 30 20 CHED CCCN(C(=O)[C@@H](C#N)CC)[C@@H](CC)c1ccccc1 593425674 NJOMGGQBPDGRNV-ZBFHGGJFSA-N 272.392 3.926 30 20 CHED CCCCCCCC(=O)NCCOc1ccc(F)cc1 914607361 PXTYMPJSLCEHNX-UHFFFAOYSA-N 281.371 3.681 30 20 CHED C/C(=C/C(=O)Nc1cc(C#N)ccc1C)C(C)(C)C 742596429 YCYGRTQLGPIYAK-WQLSENKSSA-N 256.349 3.798 30 20 CHED Cc1ccc(C#N)nc1NCCC1CC(OC(C)(C)C)C1 596209272 QUGMCNLBEGIOCD-UHFFFAOYSA-N 287.407 3.657 30 20 CHED C[C@H](C(=O)N1CCCc2cc(C#N)ccc21)C1CCCC1 591005623 KZHIEXWAADJURW-ZDUSSCGKSA-N 282.387 3.664 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)CCc2ccc(C)s2)n1 598859844 YMEJTVMDCZLHBD-UHFFFAOYSA-N 299.399 3.511 30 20 CHED C=C(C)COC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 747518466 VYYKJJJEDSTBFU-STQMWFEESA-N 250.725 3.563 30 20 CHED CCCC(C)(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 593174731 MQFLPISIKSOOPA-MRXNPFEDSA-N 284.403 3.878 30 20 CHED CC[C@H](C#N)C(=O)NCCCc1ccc(Cl)cc1Cl 593501449 ZSNVIHXEGNXHPA-SNVBAGLBSA-N 299.201 3.592 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(O)c(F)c2)CCCC1(C)C 683517642 OFNYWVVJWQCFNT-HNNXBMFYSA-N 291.366 3.738 30 20 CHED CCCNN=Cc1oc2ccccc2c1Br 848404213 GWXKXGXQGRBBGQ-UHFFFAOYSA-N 281.153 3.529 30 20 CHED C#CCN(C(=O)/C=C\c1cccs1)C1CCCCC1 688792885 HCOGSZDXCIAHGX-KHPPLWFESA-N 273.401 3.556 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cc(F)ccc1O 916620375 GOLOCOXNHXRGFR-UHFFFAOYSA-N 272.323 3.984 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCN2CCCC[C@@H]12 915633834 HARDYQHQTFMPBB-IRXDYDNUSA-N 294.483 3.870 30 20 CHED C=C(C)CONC(=O)N[C@@H](c1ccccc1)C(C)(C)C 845591057 HCJNBBGHGOGDKY-AWEZNQCLSA-N 276.380 3.581 30 20 CHED C=C[C@H](C)NC[C@H](C)c1ccc(C(F)(F)F)cc1 685425283 KAQFBCINVAGLAY-QWRGUYRKSA-N 257.299 3.973 30 20 CHED C[C@H]1CC(=NNCC(F)F)C[C@H](c2ccccc2)C1 749859500 QTVKVIWHUCHFDX-DGCLKSJQSA-N 266.335 3.801 30 20 CHED CCCn1nccc1CN(CC)[C@H](C)c1ccc(C#N)cc1 596983500 APXYVDBBORIGFY-OAHLLOKOSA-N 296.418 3.748 30 20 CHED CC(C)[C@H](NC(=O)C#Cc1ccccc1)c1ccc(F)cc1 747354848 VEIRTQXLIBHDPH-IBGZPJMESA-N 295.357 3.691 30 20 CHED CCCCCCCC(=O)Nc1ccc(C)cc1C(=O)NC 741199713 YETDFRLPCMFHGJ-UHFFFAOYSA-N 290.407 3.654 30 20 CHED C=C[C@H](CC)OC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C 847675536 XIESJAYZJFKGSS-SMDDNHRTSA-N 290.407 3.657 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](C)C2(Cl)CC2)c1 925412715 CBLCVUPOSRWZTE-TZMCWYRMSA-N 292.810 3.617 30 20 CHED CC(C)(C#N)CCCOC(=O)CC1(C#N)CCCCC1 849907199 XAEFGPMOKQPONX-UHFFFAOYSA-N 276.380 3.724 30 20 CHED CC#CCOC(=O)c1cnc(-c2ccccc2Cl)s1 744895812 WGMNTNVWIROVKJ-UHFFFAOYSA-N 291.759 3.644 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)O[C@H](C)c1ccco1 847671547 OJZJKKKFCZILPE-CHWSQXEVSA-N 283.327 3.634 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](c1ccccn1)C1CC1 921818392 ZJRMXJACSTYWBO-CJNGLKHVSA-N 287.407 3.577 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cccc2c1OCO2)c1ccccc1 925638011 WUDOQGBOKHNIRQ-WMLDXEAASA-N 293.366 3.831 30 20 CHED CC(C)COC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccco1 924890998 UGEKPSMNYRQQPT-GJZGRUSLSA-N 292.423 3.911 30 20 CHED C=C1CCN(C(=O)Nc2cccc(OCCC)c2)CC1 929545064 FEORSPKYHNLPRT-UHFFFAOYSA-N 274.364 3.659 30 20 CHED CC(C)n1cc([C@H](C)N[C@@H](CCC#N)c2ccccc2)nn1 925600668 IGGHUDLWVASUGL-HOCLYGCPSA-N 297.406 3.555 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@]1(C)CCCO 755731411 UIRIUPHROHIJMP-KRWDZBQOSA-N 283.456 3.891 30 20 CHED COc1ccc(NN=C[C@H]2CCOc3ccccc32)cc1 750921468 KBSZWGVFAHHOEG-CYBMUJFWSA-N 282.343 3.659 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cc3ccccc3[nH]2)CC1 924984929 YSMAHQRQGAZJKW-OAHLLOKOSA-N 297.446 3.859 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1c1ccccc1 929614009 KVIFRCBFQHDLMB-GOEBONIOSA-N 257.377 3.952 30 20 CHED CCCCCCCNCc1c(CC)nn(C)c1CC 756000489 PYVUTUQQQDGDCD-UHFFFAOYSA-N 265.445 3.605 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C)cc2OCC)CC1 929819202 IEUJHSWSLHQFLR-UHFFFAOYSA-N 274.364 3.578 30 20 CHED C#CC[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1 756957006 IUTXRHDCZAXQDL-AWEZNQCLSA-N 266.300 3.771 30 20 CHED CC(C)Sc1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1 928227293 XXTJSXDJNQESLP-CYBMUJFWSA-N 288.416 3.563 30 20 CHED C#CC[C@@H](NCc1ccc(OC)cc1)c1ccccc1 756997051 UMRQCCUTXXSOAV-GOSISDBHSA-N 265.356 3.549 30 20 CHED CCC(C)(C)CCOC(=O)c1c(F)cc(C#N)cc1F 756298028 KVAZEFWPTUMDGT-UHFFFAOYSA-N 281.302 3.820 30 20 CHED Cc1cccc(/C=C\C(=O)c2cc(F)ccc2[N+](=O)[O-])c1 752874341 JHUPULWNUKCHCU-YVMONPNESA-N 285.274 3.938 30 20 CHED C#CC[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1 756953718 QAEHITPOFARRAL-CQSZACIVSA-N 281.746 3.783 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 685544484 XPKHIQFVGYACGJ-UONOGXRCSA-N 290.455 3.678 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2c(s1)CCCCCC2 753427642 BMROEPUACUYWGL-LBPRGKRZSA-N 277.389 3.866 30 20 CHED C[C@H](N[C@@H](C)c1cccc2c1OCO2)c1ccc(C#N)cc1 924784577 FVWRKVHBISHVTM-STQMWFEESA-N 294.354 3.699 30 20 CHED Cc1ccc2c(C(=O)N3CCC[C@@H](C#N)C3)csc2c1 928218836 YQEXRXBUKDZUCH-LBPRGKRZSA-N 284.384 3.586 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](C)c1oc2ccccc2c1C 753102083 MSELGZYBTUOQJU-QWHCGFSZSA-N 284.359 3.513 30 20 CHED C=CCC[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C1CC1 752570070 BPXGPJFNKBKYKT-QGZVFWFLSA-N 283.371 3.998 30 20 CHED CCSc1ccc(C(=O)/C=C\c2ccnn2CC)cc1 755604120 LCGKLNFUUWQERE-YFHOEESVSA-N 286.400 3.911 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1 757467825 NDTKYVURVBBFII-WEVVVXLNSA-N 298.338 3.781 30 20 CHED CCCCCCCCOCC(=O)N1[C@H](C)CC[C@H]1C 757794703 DKRRJCVNWYKEDH-HUUCEWRRSA-N 269.429 3.763 30 20 CHED N#Cc1csc(CNc2ccc3c(c2)[C@H](O)CCCC3)c1 850362344 IMOOGZJBTWJVMX-QGZVFWFLSA-N 298.411 3.992 30 20 CHED C#CC[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 756921209 GLOYEABNFVCSLK-HNNXBMFYSA-N 282.318 3.712 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 754373805 FWZIYCMXCSKNOV-KGLIPLIRSA-N 297.320 3.727 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H](c2c(F)cccc2F)C1 935434972 VCUPQUQSPHSMNL-OLZOCXBDSA-N 293.357 3.883 30 20 CHED Cc1cc(C)cc(/C=C2\CCc3scnc3C2=O)c1 863196802 WBOAVNTZDGULGZ-MDWZMJQESA-N 269.369 3.972 30 20 CHED CC(=O)Nc1cccc(/C=C2/CCCC(C)(C)C2=O)c1 865220136 DOAVBHAJFOOIFC-UVTDQMKNSA-N 271.360 3.808 30 20 CHED C[C@@H](c1ccccc1Br)N1CCC[C@@H](C#N)C1 932158522 KFDLFGSYSDNLFC-RYUDHWBXSA-N 293.208 3.746 30 20 CHED C#CCOc1ccc(-c2nc([C@@H](C)SCC)no2)cc1 762326961 ZFEUWHUVXQOZPB-LLVKDONJSA-N 288.372 3.563 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cscn1 769827166 QCLDJLXJLZEKOG-UHFFFAOYSA-N 269.732 3.772 30 20 CHED Fc1cc2nc(NN=C[C@H]3C[C@H]4CC[C@H]3C4)[nH]c2cc1F 762419983 XYTSLSKLFSZSDQ-LPEHRKFASA-N 290.317 3.675 30 20 CHED C#CC(C)(C)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 760329314 KVUVJEFIRKYHSA-AWEZNQCLSA-N 271.404 3.517 30 20 CHED CCCCCCCCCCN1CC[S@@](=O)C[C@@H](C)C1 763874769 FFDJYCQSEOODBI-QFBILLFUSA-N 287.513 3.828 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2ccc(F)c(C)c2)cc1 767730907 STFXGUFNIUKAFR-ONNFQVAWSA-N 298.313 3.817 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCc2c[nH]nc2C1 768517025 GZIPDOVOIBOMQB-DZGCQCFKSA-N 263.429 3.606 30 20 CHED CCCC1(CNC(=O)c2ccccc2SCC#N)CC1 760029755 CTJFXMWPZQEAOY-UHFFFAOYSA-N 288.416 3.612 30 20 CHED COc1ccsc1/C=C1\Cc2c(OC)cccc2C1=O 764441682 IUZQXODTTHSUMJ-MDZDMXLPSA-N 286.352 3.588 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@H]2CC2(Cl)Cl)n1 767156161 JUZRTXGWXYBTST-SNVBAGLBSA-N 298.217 3.856 30 20 CHED CC(C)N(CCSCc1ccc(C#N)cc1)C(C)C 762203508 DXWOCJLJYUFFIP-UHFFFAOYSA-N 276.449 3.910 30 20 CHED CC1CC(C#N)(C(=O)OCc2ccc3ccccc3c2)C1 767424100 PXWKGQRYHJYBIL-UHFFFAOYSA-N 279.339 3.823 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2cccc(F)c2)CC1 876724380 VLAHYNZPCILGSN-AWEZNQCLSA-N 274.383 3.945 30 20 CHED COCCON=C(CCc1ccccc1)c1ccccc1 762604822 RHTSFPVHFJAYHP-UHFFFAOYSA-N 283.371 3.687 30 20 CHED O=C(/C=C/c1ccc(N2CCCC2)cc1)c1sccc1O 1116817022 NQKIZXWHLMXRHH-VMPITWQZSA-N 299.395 3.950 30 20 CHED N#CCc1ccccc1CC(=O)O[C@@H]1CC[C@H]2CCC[C@H]2C1 771016434 OHNFELDUEFVLHI-UWWQBHOKSA-N 297.398 3.807 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OC2CCC(F)(F)CC2)c1 875848045 ATUYFTFWLJVINK-UHFFFAOYSA-N 299.704 3.946 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 776390018 SLONUNNYACZZBN-VXGBXAGGSA-N 293.313 3.551 30 20 CHED C=CC(C)(C)CC(=O)NCCC1CC(OC(C)(C)C)C1 879769991 ZGIMCQXSWUETFH-UHFFFAOYSA-N 281.440 3.689 30 20 CHED N#Cc1ccc(OCCCNc2cccc3cc[nH]c23)cc1 774360400 CFQNDSSVLZRQLN-UHFFFAOYSA-N 291.354 3.921 30 20 CHED Cc1cccc2c1OCCC2=NNc1cc(Cl)ccn1 777905276 CUNMFIHQIWAFII-UHFFFAOYSA-N 287.750 3.642 30 20 CHED C=C[C@H](CC(=O)Nc1cccc2nonc12)c1ccccc1 773383515 MXCUHZRLLDTOAA-GFCCVEGCSA-N 293.326 3.521 30 20 CHED C=C(C)COCCN[C@H](CC)c1cc(Cl)ccc1O 775522019 HJHRVHJIPCTBQW-CQSZACIVSA-N 283.799 3.679 30 20 CHED C[C@H](C#N)COC(=O)c1ccc(Oc2ccc(F)cc2)cc1 770926867 GMUMHIUEOHNRJX-GFCCVEGCSA-N 299.301 3.934 30 20 CHED CC(C)=C(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 772227471 UPQBSOGEVYVAMN-UHFFFAOYSA-N 272.348 3.640 30 20 CHED Cc1ccc(F)cc1C=NN[C@H](C)c1ccccc1 777883032 OXOKOJJYVVUCFR-CYBMUJFWSA-N 256.324 3.819 30 20 CHED C#CC(C)(C)NC(=O)Nc1cc(SC)ccc1Cl 880075402 MMQLBGVMACCBAI-UHFFFAOYSA-N 282.796 3.595 30 20 CHED C=CCc1cc(CN[C@@H](C)C2CCC2)cc(OC)c1OC 772944883 CMYMRKDUOUDPQK-ZDUSSCGKSA-N 289.419 3.711 30 20 CHED N#Cc1cc(C(=O)NCc2ccc3ccccc3c2)cs1 1126693744 CZWBFXPSHWILCD-UHFFFAOYSA-N 292.363 3.703 30 20 CHED C=CC(C)(C)CC(=O)OCCCCC(C)(C)C#N 884649848 QXLAEXCVDUAJPU-UHFFFAOYSA-N 251.370 3.852 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)s1 785854159 NBJFCNIJDMWIRT-MXMFLMJRSA-N 281.808 3.982 30 20 CHED CCc1ccc(NC(=O)c2cc(C#N)ccc2C)cc1C 1127207095 IKWCQMNZYBAWEY-UHFFFAOYSA-N 278.355 3.990 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1scc(C(C)(C)C)c1C#N 888226198 UNFAHJQELCGQPL-SECBINFHSA-N 293.392 3.545 30 20 CHED C=CCC[C@@H](C)N[C@H](Cn1ccnc1)c1ccccc1 883388448 VLVKYSUXKLAIFK-NVXWUHKLSA-N 269.392 3.569 30 20 CHED CN(C)[C@@H]1CCCC(=NNc2nccc3sccc23)C1 788425395 HFUZALLTXRDRCU-GFCCVEGCSA-N 288.420 3.568 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C(F)F)nc1 1120733130 GHVGSHPBMGTHNR-LBPRGKRZSA-N 280.318 3.590 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)cc1F 1129571731 DMNNZSVVGIKLTR-OAHLLOKOSA-N 298.292 3.505 30 20 CHED COc1ccc(OC(=O)CC(C)(C)C#N)c2ccccc12 783866280 UCFOBPUGIPCXRW-UHFFFAOYSA-N 283.327 3.694 30 20 CHED C=CCCN(CCC(C)(C)C#N)OCc1ccccc1 782669744 SJPRTMJMYUHNNN-UHFFFAOYSA-N 272.392 3.936 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)[C@@H](C)CC)c1ccccc1 780012222 BDJOCOUGCAUATE-DZKIICNBSA-N 257.377 3.549 30 20 CHED Cc1ccc(C(=O)NCC2(C)CCCCCC2)cc1C#N 1127575690 XYHOBGLKRIJIEL-UHFFFAOYSA-N 284.403 3.957 30 20 CHED N#CC1(C(=O)OCCCc2ccccc2Cl)CCC1 785334028 RLEISQHCDWONIO-UHFFFAOYSA-N 277.751 3.510 30 20 CHED CCn1cc(C=NNc2ccnc(F)c2)c2ccccc21 781126580 CZMPTSKTFLATLB-UHFFFAOYSA-N 282.322 3.641 30 20 CHED CC1(C)CC[C@H](C(=O)O[C@H](C#N)C2CCCCC2)C1 781698934 SVPCJBRAVMFWGP-UONOGXRCSA-N 263.381 3.828 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(C)c1snc(C)c1C#N 891427087 YAFHHZFHUOUUNE-NWDGAFQWSA-N 291.420 3.502 30 20 CHED C=C1CCC(C(=O)O[C@@H](CC)c2ccncc2)CC1 891440558 YANHIJWNOMFHDI-HNNXBMFYSA-N 259.349 3.822 30 20 CHED CC(C)(C#N)CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 782098148 BMCMDTGEEVJLJB-DHZHZOJOSA-N 284.403 3.663 30 20 CHED C[C@H](OC(=O)/C=C\c1cccc(O)c1)c1cccc(C#N)c1 784062561 SSVDPZYSEXGJJX-YXVBKTCISA-N 293.322 3.581 30 20 CHED C#CCOCCC(=O)O[C@@H](CC)c1cccc(Cl)c1F 787029137 XTBNYOASKIZBGO-ZDUSSCGKSA-N 298.741 3.513 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(F)c(C#N)c1 792320543 GGAOELHRAQIENF-UHFFFAOYSA-N 288.322 3.574 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1cc2ccccc2s1 794716081 XNPDIIRXDPUAPC-BQYQJAHWSA-N 282.368 3.839 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(Oc3ccccc3)n2)C1 897922302 PTNWCLFPIHHGPT-ZIAGYGMSSA-N 279.343 3.978 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(N(C)C)c(Cl)c1 799213229 QIWZLJXQFITQQP-LLVKDONJSA-N 295.814 3.882 30 20 CHED C#C[C@H](NC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21)C(C)C 799048176 YQZGPZUKAPCOTO-INMHGKMJSA-N 283.415 3.750 30 20 CHED CC(C)N(C(=O)[C@@H](C#N)CCc1ccccc1)C1CCCC1 1136683220 VFSJQGUCNKRBBA-QGZVFWFLSA-N 298.430 3.939 30 20 CHED C=CCCCCN(Cc1ccc(O)c(OC)c1)C1CC1 583605765 CDHDAFVJMGDRGF-UHFFFAOYSA-N 275.392 3.722 30 20 CHED C#C[C@H](NC(=O)c1ccc(-c2ccsc2)nc1C)C(C)C 799048434 JTSSSKQSKRYTAF-HNNXBMFYSA-N 298.411 3.506 30 20 CHED Fc1cccc(NN=C2CCC[C@@H]2c2ccccn2)c1 794901455 MFFCLAPWRCQAKG-CQSZACIVSA-N 269.323 3.956 30 20 CHED Cc1cnc([C@H](C)OC(=O)c2ccc(C(C)(C)C#N)cc2)o1 796038443 DTCGFKSBTXUXSG-LBPRGKRZSA-N 298.342 3.702 30 20 CHED N#Cc1cc(NCc2cccc(C(=O)O)c2)ccc1Cl 709746464 PZIKFQIBTBIQLN-UHFFFAOYSA-N 286.718 3.522 30 20 CHED Cc1cc(F)ccc1C=NNc1cccc(F)c1[N+](=O)[O-] 790310832 SPWQZBPHICJAMD-UHFFFAOYSA-N 291.257 3.627 30 20 CHED COc1ccc(C)cc1/C=C1/CCc2ccc(O)cc2C1=O 794960457 SCKSCVZTQRQSKI-UVTDQMKNSA-N 294.350 3.922 30 20 CHED C[C@@H]1CSCC1=NNc1ccccc1C(F)(F)F 794854593 IUMUDOGWCGRRPM-MRVPVSSYSA-N 274.311 3.856 30 20 CHED COc1cccc(NN=C(C)c2coc(C(C)C)n2)c1 799475532 XQBMOJCYDOCWAW-UHFFFAOYSA-N 273.336 3.643 30 20 CHED COCCCON=C(C)c1ccc(OC(C)C)c(Cl)c1 795042059 NMRMPSQUHUHAEW-UHFFFAOYSA-N 299.798 3.904 30 20 CHED CCc1ccccc1NN=Cc1cccc(OC)c1F 799874893 FDYCFJWOQVKSAL-UHFFFAOYSA-N 272.323 3.843 30 20 CHED CC[C@@H](C)CON=Cc1ccc(F)c(C#N)c1Cl 793144527 DKHRHEZJSLDZSE-SECBINFHSA-N 268.719 3.747 30 20 CHED C#CCCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 764230103 FKEXUDQJLPHPHK-UHFFFAOYSA-N 267.294 3.693 30 20 CHED N#Cc1csc(CNc2ccccc2OC(F)F)c1 93685266 SMDKMRFXQZORGA-UHFFFAOYSA-N 280.299 3.833 30 20 CHED Cc1cc(SCc2ccc(F)cn2)ccc1C#N 1307362126 SGAAIZAJDAYNIH-UHFFFAOYSA-N 258.321 3.693 30 20 CHED Cc1ccnc(N2CCC(C)(CC(C)C)CC2)c1C#N 1163432173 QMFWJNDMIBRYQU-UHFFFAOYSA-N 271.408 3.914 30 20 CHED CCN(CCC#N)C[C@@H](C)CSc1ccccc1C 1167559189 YUPGNSUADXLYPG-CQSZACIVSA-N 276.449 3.959 30 20 CHED CC[C@@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H]1C 1312339720 ZQGFNQVTBQDYNW-BFYDXBDKSA-N 299.418 3.861 30 20 CHED C[C@]1(CNCc2ccc(C#N)cc2)CCCc2ccccc21 1178393140 JBJAIXOKHSMQFW-HXUWFJFHSA-N 290.410 3.942 30 20 CHED C=C[C@H](Cc1nnc([C@@H]2CCCCO2)o1)c1ccccc1 1326119559 PFLVNLAJKSEZSR-HIFRSBDPSA-N 284.359 3.824 30 20 CHED N#CC1CCC(CNC(=O)OCC2CCCCC2)CC1 1329225322 PMNZGAWQWJOINT-UHFFFAOYSA-N 278.396 3.623 30 20 CHED C=C[C@@H](COC)N[C@@H]1CCSc2ccc(Cl)cc21 1321241321 MVDPSGNCAUCKRS-WCQYABFASA-N 283.824 3.668 30 20 CHED N#CCc1cccc(NC[C@@H]2CCCCC(F)(F)C2)n1 1324104383 YCPCFNVBFDKUKC-GFCCVEGCSA-N 279.334 3.775 30 20 CHED C[C@@H](CNc1c(Br)cccc1C#N)C1CC1 1651424551 HEAOMJGGTBUSBN-VIFPVBQESA-N 279.181 3.779 30 20 CHED COc1cc(OC[C@@H]2CCC[C@H](C)C2)ccc1C#N 1651953086 DHPLYKUUDSKOQM-QWHCGFSZSA-N 259.349 3.772 30 20 CHED CC[C@@H](Nc1cccc(CC#N)n1)c1cc(F)ccc1OC 1333849038 IBQGYVQPATVKTH-OAHLLOKOSA-N 299.349 3.859 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H](F)C1 1332339428 JJVYZHFDTRZZJL-UXLLHSPISA-N 272.367 3.806 30 20 CHED Cc1cc([C@H](C)Nc2cccc(CC#N)n2)c(C)s1 1338233718 RJVDZSPFOROHBW-NSHDSACASA-N 271.389 3.999 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCOc2ccccc21 1336758031 CQELIIZOLSMNTH-GDBMZVCRSA-N 285.387 3.510 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 1335730280 LMHUDNAMHSGEBT-MRXNPFEDSA-N 275.367 3.716 30 20 CHED Cc1ccc(CCC(=O)[C@@H](C#N)c2cccc(F)n2)c(C)c1 1344007150 XQSPMEDYQTYSAN-HNNXBMFYSA-N 296.345 3.647 30 20 CHED N#C[C@H](C(=O)Cc1cccc(C2CC2)c1)c1cccc(F)n1 1342624585 VWVQNSMNGVRHNM-HNNXBMFYSA-N 294.329 3.517 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1C[C@@H](C)C[C@H]1C 1343680271 VHTBAWNAWOWJCO-UONOGXRCSA-N 286.423 3.523 30 20 CHED N#CC[C@@H](OC(=O)[C@@H]1CC2CCC1CC2)c1ccco1 1350312410 VMUCWIVUWTVVDW-UJFKTDLFSA-N 273.332 3.604 30 20 CHED C[C@H]1CCC[C@H](CNCc2cc(C#N)ccc2F)C1 218940406 SPEWTDOKSFTFGF-JSGCOSHPSA-N 260.356 3.613 30 20 CHED C=C(Cl)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 1350024174 VOXHKRFCMBJINY-UHFFFAOYSA-N 290.702 3.668 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc2cc(OC)ccc2c1 1514692975 OIOLXAVZIRQGOZ-HNNXBMFYSA-N 283.327 3.697 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C12CCC(CC1)CC2 1533136840 AFGLXMLUWWOJNF-UHFFFAOYSA-N 296.370 3.670 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1F 1534755086 HPATYLNPZUUCME-CQSZACIVSA-N 288.366 3.738 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C#N)ccc1C)CC2 1538008884 XVINSQPOFPWAPJ-SFHVURJKSA-N 290.366 3.592 30 20 CHED Cc1ccc(NCc2ccc(C#N)cc2F)c(C)c1 20034897 GIXPXICHHKRHLT-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1csc(NC(=O)NC[C@H](C)c2ccccc2)c1C#N 1476559181 QABYWGPECHVLAK-NSHDSACASA-N 299.399 3.853 30 20 CHED CC(C)CCN(CCC(C)C)c1ncccc1C#N 226528744 SMVUSDDNOXGFAJ-UHFFFAOYSA-N 259.397 3.852 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(C)cc1C 1559312267 BCFBFFDNXKPJHT-UHFFFAOYSA-N 267.328 3.763 30 20 CHED CC[C@@H](NC(=O)Nc1sccc1C#N)[C@H]1CC1(C)C 1626076957 WPCOAHNAIUFMLR-GHMZBOCLSA-N 277.393 3.566 30 20 CHED Cc1cc(N(C)Cc2c(F)cccc2Cl)ncc1C#N 1639157153 UGQPMXXDWWYLJS-UHFFFAOYSA-N 289.741 3.691 30 20 CHED CC[C@@H]1CCCC[C@H]1CNc1ncc(C#N)cc1F 1642734448 GKWVVOXNRCPZOY-OLZOCXBDSA-N 261.344 3.721 30 20 CHED N#Cc1cc(N2CCC[C@H]2CC2CCCCC2)ccn1 1651445557 AVCNLINNZIDBMY-INIZCTEOSA-N 269.392 3.892 30 20 CHED C[C@@H]1C[C@@H](C)CN(CCSc2cccc(F)c2C#N)C1 1652860840 DBXLHDATRNADAD-CHWSQXEVSA-N 292.423 3.767 30 20 CHED CCN(CCc1ccc(C#N)cc1)c1ccccc1C 1657756573 NXBQGVPMGRFPRS-UHFFFAOYSA-N 264.372 3.936 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@H](C)CC(C)C)CC1 1776168404 JVKLWLBBUFYCTL-OAHLLOKOSA-N 281.440 3.802 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@@H](C)c2ccccc2Cl)C1 1776157436 MKTPMZZWMZDYPS-LRDDRELGSA-N 293.794 3.754 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@H]2CC[C@H](C)C2)CC1 1776168310 SWKPCWLOFLELBH-GJZGRUSLSA-N 279.424 3.556 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1 5698013 RLPWHKUQCCNXQC-JXMROGBWSA-N 282.339 3.908 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@H](O)c1ccccc1 17206751 LICUUHGZDORSAJ-SCWSXOCZSA-N 291.350 3.698 30 20 CHED C[C@@H](CC#N)N(C)CCCc1ccc(C(F)(F)F)cc1 161911763 QGTLXGMECLRXIT-LBPRGKRZSA-N 284.325 3.872 30 20 CHED C=C(Cl)COC(=O)/C=C\c1ccc2ccccc2n1 206116651 JTLXTTGYNGLLGV-HJWRWDBZSA-N 273.719 3.544 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccc(OC)cc2)c1C 160688325 AYCXWDKXQCGUML-ZHACJKMWSA-N 298.386 3.815 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCc3cc(F)ccc32)n1 160790127 JZOIHGSOVZVSJJ-OAHLLOKOSA-N 267.307 3.500 30 20 CHED C=CCC(CC=C)C(=O)N1c2ccccc2OC[C@@H]1C 160909318 YJKHVMMLLYHBOS-ZDUSSCGKSA-N 271.360 3.569 30 20 CHED C#CCSCc1nc(-c2ccc(C(F)(F)F)cc2)no1 166628163 WTXLVJAIMUBNRZ-UHFFFAOYSA-N 298.289 3.622 30 20 CHED CC1CCC(N(C)C(=O)c2ccc(C#N)c(Cl)c2)CC1 153806636 DQSCLSUFDXJGKR-UHFFFAOYSA-N 290.794 3.862 30 20 CHED C#Cc1cccc(NC(=O)CCCCCCC(C)=O)c1 153905396 XJYHDSHFTRRNRO-UHFFFAOYSA-N 271.360 3.536 30 20 CHED C=C[C@H](C)NC(=O)CC(c1ccccc1)c1ccccc1 154254423 DDUOFXXNNUWHJB-HNNXBMFYSA-N 279.383 3.899 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(C#N)cs1 154384562 ZQVGTGKOYAYGLX-UHFFFAOYSA-N 295.411 3.902 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccccc2F)cc1 208016046 PFILTRGLMQRIAH-KTKRTIGZSA-N 251.260 3.593 30 20 CHED C=CCCCCNC(=O)N(CC=C)Cc1cccc(C#N)c1 274695385 WGBFRMDRALILSR-UHFFFAOYSA-N 297.402 3.612 30 20 CHED Cc1cc(=N[C@@H]2CC(C)(C)c3ccccc32)cc(C#N)[nH]1 557640857 VDDFCKKXTVNJKA-QGZVFWFLSA-N 277.371 3.518 30 20 CHED C#CCN(Cc1ccccc1)C(=O)NC(C(C)C)C(C)C 806995082 NWVMQXCDKCRVDU-UHFFFAOYSA-N 286.419 3.512 30 20 CHED C[C@@H]1CC[C@H](Nc2cccc(OCC#N)c2)C[C@H]1C 251859172 PRPHPVLBVNRMRJ-NFAWXSAZSA-N 258.365 3.826 30 20 CHED C=C(C)COCCNCc1c(Cl)oc2ccccc12 161024676 GQOXSEQCIUYIDK-UHFFFAOYSA-N 279.767 3.769 30 20 CHED C=C(C)COCCN[C@@H]1CCSc2c(F)cccc21 163512906 HKDRKOLAXVYCNC-CQSZACIVSA-N 281.396 3.545 30 20 CHED C=C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 267427208 BTVTVMQGSUVFGQ-UHFFFAOYSA-N 287.256 3.637 30 20 CHED C=CCC(C)(C)CNCc1csc(-c2ccccn2)n1 292930604 IYCRYVXELLTLCP-UHFFFAOYSA-N 287.432 3.897 30 20 CHED N#Cc1ccc(CNCc2ccsc2Cl)cc1 312559100 MKSHLODQBYAIKY-UHFFFAOYSA-N 262.765 3.563 30 20 CHED CC(C)(C)CCCNc1nc2c(cc1C#N)CCC2 313472966 NSPDIMSSPRENQK-UHFFFAOYSA-N 257.381 3.680 30 20 CHED Cc1ncsc1COc1cc(Cl)cc(C#N)c1 351771398 RUPSPJFDZLNGKG-UHFFFAOYSA-N 264.737 3.556 30 20 CHED Cc1cccc(CN2CCC(CCC#N)CC2)c1C 519157531 FOCLLMFTVUQKNU-UHFFFAOYSA-N 256.393 3.819 30 20 CHED N#Cc1cc(OCc2cccnc2)ccc1C(F)(F)F 328513831 OUKSYAMEQLPSIG-UHFFFAOYSA-N 278.233 3.551 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[C@H]1C 424632990 YNTAWKPBEAJJNK-RISCZKNCSA-N 256.349 3.632 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1 471482948 GDQAGPULOYGCHS-UHFFFAOYSA-N 294.398 3.975 30 20 CHED C[C@@H](Cc1cccs1)Nc1ccc(OCC#N)cc1 689911826 FFDZSULCOSFTAO-LBPRGKRZSA-N 272.373 3.694 30 20 CHED C=CCCCCCCN[C@@H]1CCC[C@H]1[C@@H]1CCCN1 388509304 NCVRUOYAYMWWOX-ZACQAIPSSA-N 264.457 3.633 30 20 CHED C[C@@H](CC(=O)N1CCC[C@@H](CC#N)C1)CC(C)(C)C 397571175 CMRRASDWDCXWFZ-KBPBESRZSA-N 264.413 3.601 30 20 CHED CCc1nc(C)c(C(C)=NNCc2ccccc2)s1 735227875 KLWZCJNDTWCHRW-UHFFFAOYSA-N 273.405 3.528 30 20 CHED C=CCNC(=O)c1cc(-c2cccs2)nc2ccccc12 3188954 VLQULWWMZFXKIR-UHFFFAOYSA-N 294.379 3.879 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)CCOc1cccc(C#N)c1 59371403 RSUSHULNNNLJEG-AWEZNQCLSA-N 298.361 3.769 30 20 CHED CCCCCCCCCN1CCC[C@@](C)(C(=O)O)C1 109146488 OHZQJFONTHLWJL-MRXNPFEDSA-N 269.429 3.924 30 20 CHED CCC(CC)[C@@H](NC(=O)CSCC#N)c1cccs1 56008372 HOXYFNDDVPPVTL-CQSZACIVSA-N 296.461 3.598 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1oc2c(C)cccc2c1C 56412514 YNDYXTNTPKAKSC-LLVKDONJSA-N 284.359 3.671 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 102334751 CTAQDVKJIACCHX-CQSZACIVSA-N 263.768 3.970 30 20 CHED CC(C)(NCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 175990038 AYILGTSWMNDDPX-UHFFFAOYSA-N 286.325 3.861 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](c1ccccc1)[C@H](C)CC 116851461 IYZCDXNHOXWVMF-YCPHGPKFSA-N 259.393 3.897 30 20 CHED Cc1ccnc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1C#N 343518939 SENWLBORQONSLV-MELADBBJSA-N 255.365 3.642 30 20 CHED Cc1cc(C)c(CNCc2cccc(OCC#N)c2)c(C)c1 113347263 RBFNETVXWONKCS-UHFFFAOYSA-N 294.398 3.804 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1ccccc1F 173041747 CMEFLVXEHKNXSD-UHFFFAOYSA-N 297.333 3.772 30 20 CHED Cc1noc(C)c1C/N=C/c1c(O)ccc2ccccc12 63427671 PFYYDIIKDPHNBG-VCHYOVAHSA-N 280.327 3.769 30 20 CHED CCCN(Cc1ccc(F)c(C#N)c1)Cc1ccccc1O 119742915 HMOLSYOJUQEARI-UHFFFAOYSA-N 298.361 3.815 30 20 CHED C[C@H](CC(=O)[C@H](C#N)c1ccccn1)C1CCCCC1 102118825 YMTZJEZVFRCRRF-UKRRQHHQSA-N 270.376 3.864 30 20 CHED C[C@H]1[C@H](C)CCCN1c1ccc(C#N)c(Br)c1 300294804 KYXMYDKVBVYASA-MNOVXSKESA-N 293.208 3.946 30 20 CHED C=C(C)CS[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 177869227 CBVMLJHVYPTSDK-NWDGAFQWSA-N 281.396 3.701 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1O 62746767 VPHQRPKUZSTEKZ-NEPJUHHUSA-N 284.334 3.815 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OC(C)C)c(C)c1 173726275 SHKZHSRJJVSNFN-UHFFFAOYSA-N 288.391 3.988 30 20 CHED Cc1cc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c(C)n1C(C)C 178783165 NGTUBDTYUBCOKA-ZIAGYGMSSA-N 274.364 3.535 30 20 CHED Cc1c(Nc2c(C#N)cccc2C#N)cnn1-c1ccccc1 302883231 KTHBJLCCYMWPFM-UHFFFAOYSA-N 299.337 3.668 30 20 CHED C=CCC[C@@H](O)CN[C@H](CC)c1ccccc1OC(F)F 179721925 PXXJPBCBAJHOSS-TZMCWYRMSA-N 299.361 3.656 30 20 CHED N#Cc1ccc(N2Cc3ccccc3-c3ccccc3C2)nn1 301895229 BHELNHBRQWHFRG-UHFFFAOYSA-N 298.349 3.535 30 20 CHED C#C[C@H](CC)OC(=O)c1nc(-c2ccccc2)oc1C1CC1 1344029411 MBWYPCKMKWGJQX-CQSZACIVSA-N 295.338 3.788 30 20 CHED Cc1ccc(F)c2c1CCCN2Cc1cccc(C#N)c1 112579454 SVLPUOHNGXRZRE-UHFFFAOYSA-N 280.346 3.959 30 20 CHED C=CCN1C(=O)/C(=C/c2ccc(C)c(F)c2)SC1=S 67427860 BADZRFVZTGYRPA-WQLSENKSSA-N 293.388 3.521 30 20 CHED CCC1(C/N=C(/N)Nc2cccc(C(C)C)c2)CC1 304799997 OJCXBGLEKTXRKQ-UHFFFAOYSA-N 259.397 3.727 30 20 CHED C#Cc1cccc(NC(=O)c2cccc(Cl)c2F)c1 126196520 PAEZVIRQRCAGRX-UHFFFAOYSA-N 273.694 3.713 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 187117835 RHKMCZLHYCKBIU-DLBZAZTESA-N 286.419 3.615 30 20 CHED COc1ccc(C#N)cc1NCc1sccc1C 354861890 SGFABBRNSVZHNO-UHFFFAOYSA-N 258.346 3.549 30 20 CHED N#Cc1cc(F)c(N2CCc3cccc(F)c3C2)c(F)c1 301922066 GDEHDOMNSJTSNR-UHFFFAOYSA-N 288.272 3.538 30 20 CHED CCSc1ccc(Cl)cc1C(=O)N[C@H](CC)CC#N 183904909 JQRKOXYYWAADEN-LLVKDONJSA-N 296.823 3.874 30 20 CHED CC[C@H](CN[C@H]1CCC[C@H](C#N)C1)Oc1ccccc1F 185853746 JURGUKTUHORNQD-SOUVJXGZSA-N 290.382 3.655 30 20 CHED CSCCOC(=O)c1ccccc1-c1ccccc1C#N 78341563 SWZQQMJREHZPKT-UHFFFAOYSA-N 297.379 3.745 30 20 CHED C=CCOCCCC(=O)Nc1cc(C)ccc1Cl 124806107 NIUZYXSUKFMDSC-UHFFFAOYSA-N 267.756 3.570 30 20 CHED CCCC(CCC)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4887599 PUGYZTOHWZGYEY-UHFFFAOYSA-N 294.311 3.871 30 20 CHED biogenic C#CCCCCC(=O)Nc1ccc(F)cc1Br 182790225 KLZTWXAOCWVIJB-UHFFFAOYSA-N 298.155 3.720 30 20 CHED CN(C(=O)c1sccc1Cl)c1ccc(C#N)cc1 126473031 CPUXNAFYYOOBRG-UHFFFAOYSA-N 276.748 3.550 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCC1)c1nc2ccccc2o1 182746555 OMXYPCXGSJUIJI-NSHDSACASA-N 284.315 3.516 30 20 CHED C=C(C)CSc1nnc(-c2cccc(C)c2)n1CC 78434814 OWIPNKKPZZWVLO-UHFFFAOYSA-N 273.405 3.942 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)c(SC)c1 413946396 PGBCOKSCEDCHAI-JTQLQIEISA-N 299.823 3.982 30 20 CHED C#CCOC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 73932489 DZDRQQKBGAKFTB-CHWSQXEVSA-N 297.379 3.523 30 20 CHED C=CCn1c(C)nnc1SCc1cc(F)ccc1Cl 188141643 GIIZCZFTCKBXBN-UHFFFAOYSA-N 297.786 3.857 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@]1(C)CCC[C@@H]1C 411056712 NICJJGSXIOTJSM-APPDUMDISA-N 284.359 3.526 30 20 CHED C=CCN(C)C(=O)COc1ccc2oc3ccccc3c2c1 186102127 LUQRLPMDYLMBLK-UHFFFAOYSA-N 295.338 3.609 30 20 CHED C=CCOCCSCC1CCC(F)(F)CC1 419513852 GHJNTKTWVBILDA-UHFFFAOYSA-N 250.354 3.748 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](C)c2ccccc2)s1 120952062 LMHASWXFWYOJJK-LLVKDONJSA-N 284.384 3.924 30 20 CHED C=CCC[C@H](N[C@@H](C)C[C@H](O)c1ccc(F)cc1)C1CC1 121020035 ILBWISXXWXJTQQ-KKXDTOCCSA-N 291.410 3.972 30 20 CHED C[C@H](CCC#N)Sc1ncnc2sc3c(c12)CCC3 188222650 NBNDQZNQXWHIDP-SECBINFHSA-N 289.429 3.964 30 20 CHED COc1cc2c(cc1CNc1cccc(C#N)c1)O[C@@H](C)C2 316994821 MJEMGRIFJGTSSZ-LBPRGKRZSA-N 294.354 3.502 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1cccc(F)c1 181397745 ROUOMDDDPLUCBL-CYBMUJFWSA-N 278.371 3.712 30 20 CHED Cc1cc(NCC2(C#N)CCC2)c2ccc(F)c(F)c2n1 419020497 LECYUQURFAOVIF-UHFFFAOYSA-N 287.313 3.927 30 20 CHED COc1cc(F)c(NCC(C)(C)CCC#N)cc1OC 129378474 XCFNUGYCXGIYFJ-UHFFFAOYSA-N 280.343 3.585 30 20 CHED Cc1ccsc1C(=O)N(CCC#N)c1ccc(F)cc1 72678546 DEJVJMAWMLUTLZ-UHFFFAOYSA-N 288.347 3.756 30 20 CHED C=C(C)CCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 506435092 XSAGMJZZUZPTAH-UHFFFAOYSA-N 275.226 3.959 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(CC#N)cc1Cl 411011875 FSIUHKKWOCNUAE-HNNXBMFYSA-N 276.767 3.947 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C)c(OCC(F)F)c1 185420410 ZLFOKWUJLJAFHR-UHFFFAOYSA-N 295.329 3.627 30 20 CHED C=CCn1c(SC/C=C\Cl)nnc1-c1ccoc1C 211605136 HNGUEHDVLNGFPC-XQRVVYSFSA-N 295.795 3.877 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Cl)cc1OCC 410567081 IAZGLDJJLWFIFV-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C[C@@H](CCNC(=O)CC(C)(C)C#N)CC(C)(C)C 507545292 FBHFYWJZJDKLNA-LBPRGKRZSA-N 252.402 3.505 30 20 CHED C#CCCN[C@@H](CC)c1ccc(Br)cc1 70191029 FIUOGRFGEFHWGU-ZDUSSCGKSA-N 266.182 3.513 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 505809988 VAQBAPUQEFUUBP-TYNCELHUSA-N 290.794 3.847 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cccc(C2CC2)c1 411203426 ZCCKXQFVUUYAPN-UHFFFAOYSA-N 257.377 3.531 30 20 CHED N#Cc1cccc(OCCN(Cc2cccs2)C2CC2)c1 48334752 MRDNYSUXNBCWQQ-UHFFFAOYSA-N 298.411 3.663 30 20 CHED C=C(C)CN(C)C(=O)NCC(C)(C)c1cccc(Cl)c1 180853794 NLMHCGRRHKQLEG-UHFFFAOYSA-N 294.826 3.835 30 20 CHED CS[C@H]1CCC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1 181768524 WIIBTFDOLNUQNR-KCXAZCMYSA-N 274.433 3.883 30 20 CHED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1F 185809925 DJAOEACCZQXBGM-KGLIPLIRSA-N 274.383 3.775 30 20 CHED CC1(C)CN(Cc2ccccc2C(C)(C)C#N)CCS1 135279938 QFODYMVLTBVGJZ-UHFFFAOYSA-N 288.460 3.815 30 20 CHED Cc1csc(C(C)(C)/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2)n1 329020721 LWXJOPAJGDIILA-MWLCHTKSSA-N 294.420 3.648 30 20 CHED Cc1cc(/C=C/c2nc(C(=O)O)ccc2C#N)ccc1Cl 502761554 UPGGPJQMLQSPHI-ZZXKWVIFSA-N 298.729 3.784 30 20 CHED CC[C@@H](SC)C(=O)Nc1ccccc1SCCC#N 133950649 MHZLAZKCHMCYCT-GFCCVEGCSA-N 294.445 3.772 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1ccc(F)c(F)c1 84076578 QSBSYQOOLPCDKW-UHFFFAOYSA-N 292.310 3.565 30 20 CHED Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(C#N)cs2)C1 84091410 JJAMKRSKTDLNBX-CQSZACIVSA-N 296.395 3.558 30 20 CHED C=CCN(CC=C)Cc1ccc(Sc2ccccn2)o1 506865540 NKHZCCOSJYNOQS-UHFFFAOYSA-N 286.400 4.000 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@H](CCC)C1 508738078 DHIIRWWZLXZPHM-AWEZNQCLSA-N 276.428 3.604 30 20 CHED COc1cnccc1[C@H](C)/N=C(/O)[C@@H]1CC12CCCC2 329962758 PKTUUOSJMXTOOG-AAEUAGOBSA-N 274.364 3.688 30 20 CHED N#CCCN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 426003167 REYNAPHRILOYMK-KBPBESRZSA-N 282.309 3.845 30 20 CHED CCCCCC[C@@](C)(CCC)C(=O)N1CCO[C@H](C#N)C1 80080946 YKHNNYSUDWTJJU-NVXWUHKLSA-N 294.439 3.514 30 20 CHED C#Cc1cccc(NCc2ccc(OC)c(Cl)c2)c1 86583399 UDCSJRKOPXPTJH-UHFFFAOYSA-N 271.747 3.942 30 20 CHED CC1(C)C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 424325436 KTWYCUZGIKKVFL-ZENOOKHLSA-N 254.377 3.691 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)[C@H]1CCCC[C@@H]1C 84095100 IOAIHAZKKHTOTK-AAEUAGOBSA-N 276.405 3.661 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1cccc(Cl)c1 424549177 VVJVQPNNQNNHQK-UHFFFAOYSA-N 265.784 3.901 30 20 CHED O/C(=N/CCc1cnccn1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329160756 FJMWEOCKRMFJMM-CWRNSKLLSA-N 287.407 3.582 30 20 CHED C[C@@]1(/C(O)=N/[C@@H]2C[C@H]2C2CCCCC2)CCC(O)=NC1 328787073 KZQJNXSHQMSAHG-WOSRLPQWSA-N 278.396 3.668 30 20 CHED C=CCC[C@@H](C(=O)N1CC=C(C)CC1)c1ccccc1 427638117 JPYCLKSPHNNSGE-QGZVFWFLSA-N 269.388 3.915 30 20 CHED N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2)c1 43330096 SXQPLZNUDWWUPV-QGZVFWFLSA-N 291.354 3.927 30 20 CHED Clc1ccc(C#CCSC2=NCCS2)cc1 85249488 XDDBFZZPNYXARQ-UHFFFAOYSA-N 267.806 3.528 30 20 CHED CC[C@H](Nc1ccn(CCC#N)n1)c1ccc(F)cc1F 86154802 DATBMQAUQPUKNO-AWEZNQCLSA-N 290.317 3.638 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccccc1 45016000 ICDGTQZUZLBPQV-SEYXRHQNSA-N 252.313 3.981 30 20 CHED N#Cc1csc(CNCc2ccc(Cl)s2)c1 86500165 YEHANDSNHLPKNH-UHFFFAOYSA-N 268.794 3.624 30 20 CHED C=CC[C@H](C)[C@H](C)NCC(=O)Nc1ccc(C)cc1Cl 425367978 JFGMBOACMKXQAP-STQMWFEESA-N 294.826 3.777 30 20 CHED CC[C@H](C#N)Nc1cc(Cl)ccc1OC(C)C 516609903 IHYLYNAAGAMJBJ-LLVKDONJSA-N 252.745 3.841 30 20 CHED C#CCOCCC(=O)Nc1c(CCC)cccc1C(C)C 191549503 NYGDYXUTKHPWBO-UHFFFAOYSA-N 287.403 3.741 30 20 CHED C=CCOc1ccc(C(=O)OCCCCC)cc1OC 195597721 QKAXWPMMWHVLMT-UHFFFAOYSA-N 278.348 3.607 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccn1 148954600 XITHCBFKILDRGN-JJXSEGSLSA-N 282.387 3.864 30 20 CHED C=CCN(CCC#N)Cc1ccc(C(F)F)cc1 428832506 GNNFQXYUKMXPOO-UHFFFAOYSA-N 250.292 3.526 30 20 CHED C=CCOCCN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 339154443 FWOCREWGGQHQIE-QZTJIDSGSA-N 269.388 3.509 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CCCc2ccccc21 332720917 RUIFYBSMRBUYFR-FUHWJXTLSA-N 284.403 3.551 30 20 CHED C=CCCCS(=O)(=O)Nc1c(CC)cc(C)cc1CC 427755782 GLPIKSYBNDJESY-UHFFFAOYSA-N 295.448 3.828 30 20 CHED C=CCCCCCN(C)C(=O)c1coc(C2CCC2)n1 194436960 GXEXMTRAKJAHMX-UHFFFAOYSA-N 276.380 3.761 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1CCCC1(C)C 330020206 WIGPQRVZFWADNG-GFCCVEGCSA-N 276.380 3.819 30 20 CHED C[C@H](OC(=O)c1ccccc1OCC#N)c1ccccc1 194113019 WGRDZEZTIHGLLC-ZDUSSCGKSA-N 281.311 3.507 30 20 CHED C[C@@H](CCCC(F)(F)F)Nc1ncc2c(c1C#N)CCC2 425252261 ARUTVJNFWGFFQA-JTQLQIEISA-N 297.324 3.975 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(O)cc2CC)cc1 191052554 BYWIVGZCJWDBJW-UHFFFAOYSA-N 297.354 3.772 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)[C@H](c2ccccc2)CO1 93660798 NWJUAKYDNOBAPP-DYVFJYSZSA-N 298.411 3.582 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@@H](C)c2ccccc21 337975978 HGEPYUJLYWDTTJ-GFCCVEGCSA-N 276.339 3.631 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)C1CCCCC1 426016412 ILXBIGFNHZWUIE-ZFWWWQNUSA-N 264.413 3.705 30 20 CHED Cc1ccsc1CNCc1ccc(O[C@H](C)C#N)cc1 237579872 GTPDGHJKOZQOFE-CYBMUJFWSA-N 286.400 3.637 30 20 CHED C=C(CNC(=O)N1CC[C@H](C)C2(CCC2)C1)c1ccccc1 512681767 QCQVBNCSPFOUMF-INIZCTEOSA-N 298.430 3.922 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cncc(F)c1 335906357 XEMDUHZFSNBRJW-KZULUSFZSA-N 295.361 3.821 30 20 CHED CC(C)(CCC#N)CNCCCCOCc1ccccc1 266177117 FABUJAPMIMIXAK-UHFFFAOYSA-N 288.435 3.903 30 20 CHED COc1cccc2c1CC[C@H](Nc1cccc(C#N)c1)C2 426039893 QMDQGEMGTXGCKJ-INIZCTEOSA-N 278.355 3.536 30 20 CHED C=CCC[C@H](NCc1cc(C)cc(N)c1)c1ccco1 423476545 KKNJIYDPCANUOD-INIZCTEOSA-N 270.376 3.967 30 20 CHED CCc1cccc(Nc2nccc(C#N)c2Cl)c1 234184599 WFBZJFBMZGZWTB-UHFFFAOYSA-N 257.724 3.913 30 20 CHED Cc1ccc2oc(Oc3ccc(C#N)cc3)nc2c1 513619668 OBOMMIPOGJOELO-UHFFFAOYSA-N 250.257 3.800 30 20 CHED C=CCN(C)C(=O)Nc1cc(-c2ccccc2)cnc1C 429553143 DAJKHIQXWIEHIE-UHFFFAOYSA-N 281.359 3.707 30 20 CHED N#Cc1ccc(CC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 332485620 NOGNQRUFICPIJX-FGTMMUONSA-N 296.414 3.576 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1nccs1 90665217 GVPFTCHOEOMFSW-JSGCOSHPSA-N 271.389 3.839 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H](C)CCc1ccccc1 435742683 WQTFXRYKKYXVHE-QRQLOZEOSA-N 287.447 3.826 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@@]2(C)c2ccccc2)C1 333590493 SQWGOHINXQEICY-CBVHJVASSA-N 296.414 3.553 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1nccs1 90665218 GVPFTCHOEOMFSW-OCCSQVGLSA-N 271.389 3.839 30 20 CHED Cc1cc(F)cc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 435264943 YLDSKSFPPDJBAL-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C=CCCC1(C(=O)N(C)C2CCC(F)(F)CC2)CC1 345917593 RNCXLZOHYHTFTB-UHFFFAOYSA-N 271.351 3.769 30 20 CHED C[C@H](NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)c1cccc(C#N)c1 245960776 YCPNWPCVOUMQSG-YGHPHNMRSA-N 288.394 3.795 30 20 CHED CC(C)C1CCC(N(C)c2ncccc2C#N)CC1 432845189 HSNNCMFGWUUMHV-UHFFFAOYSA-N 257.381 3.604 30 20 CHED N#CCC1(CN[C@H]2CCCCc3cc(C#N)ccc32)CC1 430742503 OWRNQMLGNGLFFK-KRWDZBQOSA-N 279.387 3.609 30 20 CHED N#CC[C@H](Cc1nc(-c2ccco2)no1)c1ccccc1 340661970 YWKGHTKTGCDPIN-CYBMUJFWSA-N 279.299 3.570 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(Oc2cccnc2)cc1 344688343 ULOJLOOAPRPSQS-UHFFFAOYSA-N 297.358 3.914 30 20 CHED CC(C)c1ccc(C(=O)NCC#Cc2ccccc2)cc1 252078432 DRBKMFIUPZHHDE-UHFFFAOYSA-N 277.367 3.592 30 20 CHED CC(C)C[C@H](C)OCCC(=O)N(CCC#N)CC(C)(C)C 343020533 QJQPOWDFRVXSAN-HNNXBMFYSA-N 296.455 3.616 30 20 CHED CC(C)C[C@@H](C)n1cc(CC2(C#N)CCCCC2)nn1 603230680 SVBISQFBVAUOMX-CQSZACIVSA-N 274.412 3.902 30 20 CHED C=CCCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 606451217 RXAHULZBPNOOCI-HNNXBMFYSA-N 275.367 3.687 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCCOc2ccc(F)cc21 349449250 JPZHDRNJKDPRTD-SWLSCSKDSA-N 263.356 3.984 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 347066669 KKUITOFDBRSITK-SMDDNHRTSA-N 276.355 3.579 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2cc3ccccc3o2)no1 347090941 RTDHDZCCGDQHRV-UHFFFAOYSA-N 291.266 3.923 30 20 CHED CCc1cnccc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 344309416 ZFJOCQJDTSVYFH-ZIAGYGMSSA-N 279.387 3.927 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1nccc2ccccc12 527999825 YHADCAYNUHIVGD-ZBFHGGJFSA-N 268.360 3.628 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1ccc(F)c(Cl)c1)OCC 345461351 KMYHDQIBXKHSJQ-AWEZNQCLSA-N 299.773 3.813 30 20 CHED C=CCCN(Cc1ccc2c(c1)CCO2)C1CCCC1 606897823 FPQIEUWFRQMSKJ-UHFFFAOYSA-N 271.404 3.942 30 20 CHED COCc1cccc(/C=C\C(=O)c2occc2C)c1 255830926 ULDFIJPFPOTJFV-SREVYHEPSA-N 256.301 3.631 30 20 CHED Cc1nsc(N2CC=C(c3ccc(F)cc3)CC2)c1C#N 341433138 NICITFBXTXIDFZ-UHFFFAOYSA-N 299.374 3.756 30 20 CHED CCC(CC)N(CC)Cc1nnc(-c2cccc(C#N)c2)o1 344024413 IEGSOGKYPYCDRW-UHFFFAOYSA-N 298.390 3.619 30 20 CHED C=CCC1(C(=O)Nc2cccc3c[nH]nc23)CCCC1 449262225 GWHGWILCFAXSSV-UHFFFAOYSA-N 269.348 3.638 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc3c(c2)CCCC3)cn1 255566628 DRQGDWRJBUOYRX-YFHOEESVSA-N 280.371 3.678 30 20 CHED COc1ccc(-c2ccc([C@@H]3CCCN3)cc2C)cc1C#N 600789409 QBDZONJTVDOMGN-SFHVURJKSA-N 292.382 3.967 30 20 CHED CC1(C)/C(=C/c2cccc3nccn23)C(=O)c2ccccc21 255590060 XDMAQWRUIWLEKE-FOWTUZBSSA-N 288.350 3.892 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cn(C)nc1C(C)(C)C)C2 255088747 XWUGRCDTKITHFZ-GXDHUFHOSA-N 294.398 3.848 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 354011097 QZGVLXRVDDDYEX-INIZCTEOSA-N 283.331 3.584 30 20 CHED C[C@H](CCC#N)N1CCC[C@H](c2ccccc2)CC1 351322911 DCVFCPWKCLGEHJ-WBVHZDCISA-N 256.393 3.948 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCO[C@H](C2CC2)C1 449252916 UJWUOBKZGJJWET-BPUTZDHNSA-N 251.414 3.669 30 20 CHED C=CCCC1(C(=O)NCCc2csc(C(C)C)n2)CC1 355547296 RCQZJUSTHUHLLS-UHFFFAOYSA-N 292.448 3.672 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1C 448585948 SKJQWSQGFLMSOO-UHFFFAOYSA-N 272.392 3.746 30 20 CHED C=CCCC1(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1 354670481 LJDXLWUQMZYUDV-UHFFFAOYSA-N 295.386 3.616 30 20 CHED C=CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 605075774 KUAJXQPJIAWRFK-LLVKDONJSA-N 288.416 3.549 30 20 CHED C[C@H](CCC#N)CNC[C@@H]1CCCO[C@@H]1c1ccccc1 602520108 DLUGBNICJDMSQG-BPQIPLTHSA-N 286.419 3.684 30 20 CHED C[C@H](CCC#N)CNCc1cc(F)ccc1Br 602517257 DHHNCBHCTAUKSY-SNVBAGLBSA-N 299.187 3.618 30 20 CHED C[C@@H](C#N)CN(C)[C@H](C)c1ccc(Br)cc1 264761759 DIXOEXDAHLFKJS-WDEREUQCSA-N 281.197 3.602 30 20 CHED Cc1cc(O)c(CN[C@H](C)c2ccc(C#N)cc2)cc1C 266202028 LKRNMRMNEVSQMT-CQSZACIVSA-N 280.371 3.732 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@H](c1ccccc1C)N(C)C 443196466 LFGBKFSVOKXPCG-LZLYRXPVSA-N 274.452 3.931 30 20 CHED CC[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(C#N)cc1 447600331 LXHPPSBZUXOOAJ-GXFFZTMASA-N 270.298 3.940 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(Cl)cc(C)c1O)OCC 533782540 QHTMRXUWKCGWPA-ZDUSSCGKSA-N 297.782 3.664 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(F)c(C#N)c2)ccc1F 611404426 JBKLHCLIMOTWBB-GFCCVEGCSA-N 286.325 3.996 30 20 CHED N#CCc1ccc(COc2ccccc2-n2cccn2)cc1 350011007 PNIGSNPZHVLFBX-UHFFFAOYSA-N 289.338 3.517 30 20 CHED Cc1nc(C(=O)N[C@@H](CCC#N)c2ccccc2)sc1C 618383714 SBRVWBCORIFXMU-AWEZNQCLSA-N 299.399 3.535 30 20 CHED Cc1ccncc1[C@H](C)NCc1ccc(Cl)cc1C#N 614182381 NRBWFJCBBHGFQP-LBPRGKRZSA-N 285.778 3.766 30 20 CHED C=CCCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 265818427 RMNPNJFSLMHWHH-HNNXBMFYSA-N 283.375 3.840 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H](F)C2)c(C(F)(F)F)c1 352869865 IIZMDKJMNHWLKQ-NWDGAFQWSA-N 286.272 3.557 30 20 CHED COCCN(Cc1ccc(C#N)cc1)C[C@@H](C)C(C)(C)C 619843795 GMEUQQCEGPDFQC-OAHLLOKOSA-N 288.435 3.689 30 20 CHED C=CC(C)(C)CNCc1c[nH]nc1-c1ccc(C)cc1 449485976 PPJPLDGLRVYZGK-UHFFFAOYSA-N 269.392 3.687 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)Cc1ccc(C)cc1)OCC 534402938 MICBYGDSFJGJKK-KRWDZBQOSA-N 289.419 3.715 30 20 CHED CO[C@H](CN1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 619781317 UFBPRGIRESWLSZ-HZPDHXFCSA-N 292.810 3.653 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618787813 OAZLDMJBIPJJAC-YVEFUNNKSA-N 284.403 3.734 30 20 CHED C[C@H](c1ccccc1)N1CC[C@@H](Nc2cccc(C#N)c2)C1 538862551 LTHNGKHIBZTRDQ-DNVCBOLYSA-N 291.398 3.806 30 20 CHED C=CC(C)(C)CN[C@@H](c1ccc(F)cn1)C(C)C 453309085 OVYHENTZCMQVEK-CQSZACIVSA-N 250.361 3.720 30 20 CHED COc1cccc([C@H](C)NCc2ccc(C#N)c(F)c2)c1 361865108 KEEQCKYFMSODRA-LBPRGKRZSA-N 284.334 3.557 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@](C)(C#N)CC 456855931 IWPKOQPAQKQLOC-YCPHGPKFSA-N 264.413 3.649 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 456425321 IIWJISVCJJZUJF-NSHDSACASA-N 297.320 3.810 30 20 CHED CCN(Cc1ccc(Cl)cc1)Cc1cc(C#N)n(C)c1 361509850 FBMBVXXZCQCDKC-UHFFFAOYSA-N 287.794 3.572 30 20 CHED C=CCC1(NC(=O)CC2CCSCC2)CCCC1 619108074 OQKZTMSVZZYIPX-UHFFFAOYSA-N 267.438 3.525 30 20 CHED C#CCCCNC(=O)Nc1cc(-c2ccccc2)cnc1C 362718681 ACTBXLLEGZMVFL-UHFFFAOYSA-N 293.370 3.592 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1[C@@H](C)CCC 455319687 GUNRMJOEYDJICL-KBPBESRZSA-N 252.402 3.563 30 20 CHED C=CCC1(CNC(=O)c2ccc(C(C)=O)cc2)CCCC1 456490604 XKCPKSSDGOUUKE-UHFFFAOYSA-N 285.387 3.756 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2ccc(C(F)(F)F)cc2)C1 619671933 VQEXMTRLCSXVNQ-TZMCWYRMSA-N 282.309 3.530 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)C1(c2cccc(C#N)c2)CC1 457243572 YHBWMCQPWONXNB-CYBMUJFWSA-N 284.403 3.531 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618803455 INRMYZWYMKKSRS-OGHNNQOOSA-N 254.377 3.736 30 20 CHED Cc1cncc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 618802160 CZJZSNQKTFDALC-ACJLOTCBSA-N 277.371 3.600 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1cccc(N2CCCC2)c1 272025050 NQUQUEBQCCSUSO-OAHLLOKOSA-N 285.435 3.877 30 20 CHED C=C(C)[C@@H](NC(=O)N1CC[C@H](C)C1)c1ccc(F)c(F)c1 275137778 PKUYXQFYTNEGOR-XHDPSFHLSA-N 294.345 3.633 30 20 CHED CC(C)(C#N)CC(=O)Nc1ncccc1-c1ccccc1 362829029 VQDZZBKVJLECGM-UHFFFAOYSA-N 279.343 3.627 30 20 CHED C[C@@H](CC(=O)NCCCC#N)c1ccccc1C(F)(F)F 273052912 RFLSVGPGKDYPPA-NSHDSACASA-N 298.308 3.619 30 20 CHED C=CC[C@H](C)NCc1sc(C)cc1Br 453587055 KHDFAFZDZNJLOK-QMMMGPOBSA-N 274.227 3.873 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 452117441 IISPVQWJUWJEOZ-STQMWFEESA-N 251.414 3.872 30 20 CHED C=CCCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 451019333 UPCNAXKAJNSIJH-HNNXBMFYSA-N 255.365 3.584 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[C@]1(C#N)CC1(C)C 362189045 VAWCAKBANGIWCX-TYILLQQXSA-N 296.414 3.784 30 20 CHED C=C(C)COc1cc(CN[C@@H](C)CCC)ccc1OC 622266296 CWNKZXXDINMRDE-AWEZNQCLSA-N 277.408 3.928 30 20 CHED COc1ccc(F)cc1[C@@H](C)Nc1nccc(C)c1C#N 273384811 UBYLANVIKRFEKD-LLVKDONJSA-N 285.322 3.583 30 20 CHED C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)[C@@H]2CCCC[C@@H]12 542975772 RFPKXEIJHXSYBC-ISTRZQFTSA-N 272.367 3.708 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2ccc(C)cc21 468014490 TZPVQIOMMWJTNE-QGZVFWFLSA-N 257.377 3.877 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 548286708 BTOXAEBZBFLLDT-HZMBPMFUSA-N 276.767 3.520 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 620600574 NCQPURYHHCFLSP-HOCLYGCPSA-N 287.403 3.577 30 20 CHED CCC[C@H](CC)NC(=O)c1ccc(Cl)c(C#N)c1 541605953 HXUBKINUJPXCBV-LBPRGKRZSA-N 264.756 3.520 30 20 CHED C=CCN(CCCO[C@@H]1CCCCO1)Cc1ccccc1 460379817 KAPUTGUNMATGMY-GOSISDBHSA-N 289.419 3.608 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(C)c(F)cc1Cl 288975813 YXNJXIMHCRBENG-SNVBAGLBSA-N 285.746 3.707 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1SC 466408223 GCFXDAFGTDXQES-LLVKDONJSA-N 264.394 3.885 30 20 CHED N#Cc1ccc2c(c1)N(c1nc3cc(F)ccc3o1)CC2 559426180 VUFQFGACRKJNSS-UHFFFAOYSA-N 279.274 3.533 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)c1cccc(C)c1 554920616 YWHDQVRTDCALPV-UHFFFAOYSA-N 270.380 3.664 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cc(C(=O)OC)cs1 556887030 ORIGKCRUKKTSPH-RYUDHWBXSA-N 281.421 3.930 30 20 CHED CC#CCN(C)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 554688299 HBSOREVPOYFICP-ZIAGYGMSSA-N 296.197 3.579 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(CCCSCC#N)C1 285648319 LPMNRUVMCXEBCO-GDBMZVCRSA-N 274.433 3.716 30 20 CHED CC#CC(=O)Nc1ccc(OCc2cccc(C)c2)cc1C 801151070 JTCLOSZKWHHNLL-UHFFFAOYSA-N 293.366 3.844 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 470133254 AIWWEYKZRKGSDG-OSAQELSMSA-N 290.794 3.847 30 20 CHED Oc1nc2ccccc2cc1/C=N\C[C@@H]1CCCSC1 806552076 PDJKWZUDGPESAG-NJPLLEPOSA-N 286.400 3.503 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)C(F)(F)F 807895986 SKGJQVMTMKEPML-JTQLQIEISA-N 253.308 3.804 30 20 CHED CC#CC(=O)NC(c1cccc(C)c1)c1cccc(C)c1 801166958 OQLYLOLEOJFQNZ-UHFFFAOYSA-N 277.367 3.532 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](N2CCCC2)[C@H]1C 805331698 GQXJVJCTDKOEKI-IAGOWNOFSA-N 294.483 3.822 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 476535226 APPGLBKYXPQCOH-CQSZACIVSA-N 284.403 3.962 30 20 CHED C=CCOCCCN1CCC[C@H]1c1ccccc1C 470724293 SIAHDJCOVXEYGH-KRWDZBQOSA-N 259.393 3.725 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)c1cc(Cl)cc(Cl)c1 290164149 QIAIIQYZGVJENO-CYBMUJFWSA-N 285.174 3.896 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccsc1C 640465886 TWYQUFCJLFDHAS-JTQLQIEISA-N 252.383 3.923 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCCC1CC1 643178664 AYLUXZHMAZWOOV-UHFFFAOYSA-N 271.404 3.824 30 20 CHED CC(C)[C@H](NCCCC#N)c1ccc(Cl)cc1 298074444 AWFOFBYQBREMBV-AWEZNQCLSA-N 250.773 3.930 30 20 CHED CC#CCCCC(=O)Oc1cc(C)c(C#N)c(C)c1C 809038520 XUPOFBJPKHHKAK-UHFFFAOYSA-N 269.344 3.583 30 20 CHED C=C(C)CN(C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 801938690 HSLWCXJRJRRZGB-OAHLLOKOSA-N 296.455 3.532 30 20 CHED C#CC[C@H](NC[C@H](OC)c1ccccc1)c1ccccc1 801937699 UFLOYABKQQFSJP-OALUTQOASA-N 279.383 3.728 30 20 CHED Cc1nn(C)c2cc(NCC(C)(C)CCC#N)ccc12 291243693 LLOHKJDZUVCTMQ-UHFFFAOYSA-N 270.380 3.624 30 20 CHED C=CCOCCCSCc1cn2cc(Cl)ccc2n1 479599372 AMBVTIULZCGHCQ-UHFFFAOYSA-N 296.823 3.814 30 20 CHED C=CCCCCCCCNC(=O)Nc1c(C)noc1C 809875243 FJLSXJRGIVFHIR-UHFFFAOYSA-N 279.384 3.940 30 20 CHED O=C1/C(=C/c2ccccc2F)C[C@@H](C(=O)O)c2ccccc21 806559845 FWRMELUQZAUBEY-SAAWKEMMSA-N 296.297 3.664 30 20 CHED CC[C@H](NCCOc1cccc(C)c1)c1ccc(C#N)cc1 568590326 QOHQZJONQMZWNR-IBGZPJMESA-N 294.398 3.986 30 20 CHED CCC(=O)Nc1cccc(CNC2CCC(C)(C#N)CC2)c1 560125060 PGTPRVIYYOGHCE-UHFFFAOYSA-N 299.418 3.597 30 20 CHED C=CCC(F)(F)C(=O)N(CCc1cccc(F)c1)C1CC1 815612814 XRANEWPMUDBSPO-UHFFFAOYSA-N 297.320 3.571 30 20 CHED C#C[C@H](NC/C(C)=C/c1ccccc1COC)C(C)(C)C 816612348 MSQPPPFKEMSVRW-XOVFHRFOSA-N 285.431 3.874 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(-c2ccccc2C)[nH]n1 815943924 IMLKXYDMUMZULY-UHFFFAOYSA-N 291.301 3.535 30 20 CHED C=CCC(C)(C)CNC(=O)C(C1CCC1)C1CCC1 489802191 RJXOSWOLKLYPKA-UHFFFAOYSA-N 263.425 3.921 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(C)nc1C 814939568 VXGDIIQUEKBALK-UHFFFAOYSA-N 274.755 3.583 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNC[C@H]1CCSC1 811661505 MDNCHFBBFMBKJV-CYBMUJFWSA-N 282.840 3.601 30 20 CHED COc1cccc(O)c1/C=N/CCC1=CCCCC1 812390622 IROYUDHICFQIGV-SFQUDFHCSA-N 259.349 3.710 30 20 CHED Cl/C=C/CON=Cc1csc(-c2ccsc2)n1 811668016 JHPJOKUVZMIXFO-GUGXMBMGSA-N 284.793 3.975 30 20 CHED C=C(C)CNC(=S)N(c1ccc(CC)cc1)C(C)C 811703948 MNJOBQCSQNWETB-UHFFFAOYSA-N 276.449 3.914 30 20 CHED C[C@@H](NC[C@@H](C)C(F)(F)F)c1ccc(C#N)c(F)c1 480665635 OSDDCLOUCPBLOG-RKDXNWHRSA-N 274.261 3.546 30 20 CHED C=CCC[C@@H](NCc1ncc(C)[nH]1)c1ccccc1 657413781 RXCRNONSWRAFCE-OAHLLOKOSA-N 255.365 3.515 30 20 CHED Fc1ccccc1NN=Cc1ccc(Br)o1 814790765 YJEZAKOCOOXBTJ-UHFFFAOYSA-N 283.100 3.627 30 20 CHED N#Cc1c(F)cccc1/C=C1/CCc2c(O)cccc2C1=O 811690410 ALPPYPWUPHEFQR-XFXZXTDPSA-N 293.297 3.615 30 20 CHED CC(=NOC/C=C/Cl)c1c(F)cccc1Cl 811669644 GYOIHBNRQQFFFK-IXSZHZPSSA-N 262.111 3.972 30 20 CHED c1cnc(C2CCC2)c(NN=C2CC[C@@H]2C2CCC2)n1 814932392 YRBROTPSJJJFEV-CYBMUJFWSA-N 270.380 3.722 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C1(c2ccccc2C)CCCC1 485794735 YRMSBSSINTUJSB-OAHLLOKOSA-N 298.430 3.815 30 20 CHED CO[C@H]1C[C@@H](c2ccccc2)CCC1=NOCC(F)F 814903868 FMXBTAFPYBRFIJ-JSGCOSHPSA-N 283.318 3.607 30 20 CHED C=CCn1cccc1C(=O)N[C@H](c1ncccc1C)C(C)C 488772095 YRCLLDCUWDTXEO-INIZCTEOSA-N 297.402 3.505 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccnc(OC(C)C)c1 816121482 JQFSAKQMJHVBMB-UHFFFAOYSA-N 277.364 3.514 30 20 CHED C=CCC(C)(C)C(=O)NCC1(Cc2ccccc2)CC1 484160885 HZWCGWDHAIAGKU-UHFFFAOYSA-N 271.404 3.728 30 20 CHED C#CCNC(=O)[C@H](C)S[C@H](CC)c1ccc(Cl)cc1 726796505 CEYIIYHYRIWFCH-SMDDNHRTSA-N 295.835 3.662 30 20 CHED Cc1ccc2nc(C(=O)OCC(C)(C)CC#N)ccc2c1 816021079 BTPYYMQKHOKAOQ-UHFFFAOYSA-N 282.343 3.640 30 20 CHED COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1O 811699378 SQFABRALHUILSQ-SOFGYWHQSA-N 288.730 3.950 30 20 CHED C=CCC[C@H](N[C@H]1CCOc2c(OC)cccc21)C1CC1 655850244 GOLHBFCGEMLIAV-HOTGVXAUSA-N 287.403 3.853 30 20 CHED Cc1cc(C)c2c(c1)C(=NN[C@H](C)c1ccncc1)CCO2 819815080 LOWQBWJUUDESOX-CQSZACIVSA-N 295.386 3.536 30 20 CHED C#CCCCOC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 727042149 WCAPHJDHNDHIFZ-JGAFYBCUSA-N 274.404 3.940 30 20 CHED C[C@@H](c1ccco1)N(C(=O)c1cc(C#N)ccc1F)C1CC1 823283360 XUNXPKNRBBWBST-NSHDSACASA-N 298.317 3.656 30 20 CHED CCCCCCCCn1nc(C(C)(C)C)ccc1=O 727269440 UEQGEYFXSSQIHN-UHFFFAOYSA-N 264.413 3.901 30 20 CHED C=CC[C@H](C)C(C)=NNc1cnc2ccccc2n1 727778843 JCOBZGOKASWAPC-NSHDSACASA-N 254.337 3.630 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)[C@H](CC)c1ccccc1 498811359 JMZRTGWFRBBUAE-DOTOQJQBSA-N 289.419 3.967 30 20 CHED CC1=CC(=NNc2nncc3ccccc23)CCC1 727254706 VXBTUHFAFBSWPP-UHFFFAOYSA-N 252.321 3.528 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H](CC)C1CC1 661876183 SXTCKYXOVPAVJU-KRWDZBQOSA-N 286.419 3.615 30 20 CHED C=CCOCC(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 582598107 NIMVLLNWPNPMQP-HNNXBMFYSA-N 281.440 3.690 30 20 CHED C=CCCNC(=O)N(C)Cc1c(CC)oc2ccccc12 661571958 CBMSWQLPVSZQMA-UHFFFAOYSA-N 286.375 3.713 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C\c2ccccc2)c1 821022517 RSITWVCBPLRPKE-QXMHVHEDSA-N 265.356 3.644 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(O)c(F)c1 728429711 MSZJJBZFPLJPJI-UHFFFAOYSA-N 280.249 3.646 30 20 CHED COc1cccc(C=NNc2cccc3cnccc23)c1 728432594 YDJALKRPFPDZGK-UHFFFAOYSA-N 277.327 3.689 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1c(C)cncc1C 667878791 OKMBVWSWVFRNQL-QGZVFWFLSA-N 294.398 3.616 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)/C=C\C1CCCC1 493045062 ILEMDCZKJBUWNX-BMSUMIBZSA-N 282.387 3.824 30 20 CHED CCC(CC)CN(CC)C(=O)c1ccsc1C#N 906154266 RYPATYLOOSHTHM-UHFFFAOYSA-N 264.394 3.518 30 20 CHED C[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)CCC1(F)F 589601286 FTPMUMFYSKNNHT-NSHDSACASA-N 293.361 3.732 30 20 CHED N#CC1(c2ccc(-c3cccnc3F)s2)CCC1 904746004 PJEWQOYSDBNZKF-UHFFFAOYSA-N 258.321 3.894 30 20 CHED C=CCCCN(CC)[C@H](C)c1cc(C)c(C(=O)O)o1 903960826 CADCJGSXRGENIH-GFCCVEGCSA-N 265.353 3.635 30 20 CHED CN(CC(C)(C)C#N)C(=O)Cc1cc(Cl)ccc1Cl 497275993 MKJCLDMXLCTZIA-UHFFFAOYSA-N 299.201 3.544 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(N(C)CC)nc2)o1 588579685 XZWCHCXEFBUXEI-TWGQIWQCSA-N 284.359 3.589 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2cccc(F)c2)c1 730148149 XZQGLTJMSUOONZ-FPLPWBNLSA-N 281.286 3.624 30 20 CHED CC(C)n1cncc1/C=C1/Cc2c(F)ccc(F)c2C1=O 901487082 ZQISFIHYAQSSDU-YHYXMXQVSA-N 288.297 3.565 30 20 CHED C#CCOc1cccc(OC(=O)c2cc3ccccc3o2)c1 730498494 UWRMUCIASPMBHS-UHFFFAOYSA-N 292.290 3.664 30 20 CHED N#CC1(CCCCS[C@@H]2CCCOC2)CCC1 901532196 YHESKBGBVIWRAZ-CYBMUJFWSA-N 253.411 3.763 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H](C)c1ccc(F)cc1 490050806 SUGNHZOUSMFAFZ-CYBMUJFWSA-N 286.350 3.646 30 20 CHED CCCCCCCCCNC(=O)N(C)Cc1cccnc1 731757852 XFDXACVPHLNOJM-UHFFFAOYSA-N 291.439 3.974 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 586751411 ARKPACMPKUVRTB-QGZVFWFLSA-N 297.358 3.837 30 20 CHED C=CCCCC[C@@H](C)N[C@H](CO)c1ccc(F)cc1F 668757120 ZBYRDHKHUWZXST-MLGOLLRUSA-N 283.362 3.723 30 20 CHED C=CCN(C(=O)c1ccc(F)c2occc12)C(C)(C)C 906034176 LBAIRFSFHZTNGZ-UHFFFAOYSA-N 275.323 3.999 30 20 CHED CCn1cc(/C=C2\CSc3cc(C)c(C)cc3C2=O)cn1 588523532 BVNIYQLPDYZRMH-VGOFMYFVSA-N 298.411 3.892 30 20 CHED CSCc1ccc(-c2noc(CC(C)(C)C#N)n2)cc1 582990785 QFWHZXLHPOTMKY-UHFFFAOYSA-N 287.388 3.692 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839060296 ZRPMPSUYGSBQGQ-GMTAPVOTSA-N 277.286 3.591 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cc(OC)cc(OC)c2)no1 583407073 KAAZHMQNOBUFNV-INIZCTEOSA-N 288.347 3.608 30 20 CHED CCCCCCCC(=O)NCCc1sc(C)nc1C 731019826 IGWAVEIIRBJYFF-UHFFFAOYSA-N 282.453 3.779 30 20 CHED C#CC[C@@H](OC(=O)C1=CCC(C)(C)CC1)c1ccccn1 835134559 UYAKWMPUWHJXRQ-MRXNPFEDSA-N 283.371 3.826 30 20 CHED C[C@@H](NCCC1CC(F)(F)C1)c1ccc(OCC#N)cc1 834908405 JSOLEMGEAADZLK-GFCCVEGCSA-N 294.345 3.675 30 20 CHED FC(F)(F)c1ccnc(NN=C[C@@H]2CC=CCC2)c1 834983199 LPUJHBHRPAGPRI-SNVBAGLBSA-N 269.270 3.854 30 20 CHED C=C(C)c1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)c1 908250528 TVEUVAZRKLTVTH-UONOGXRCSA-N 287.359 3.549 30 20 CHED CCCCO[C@H]1C[C@@H](NC(=O)CCCCCC#N)C1(C)C 588160371 JUPFEACMXCGRSK-CABCVRRESA-N 294.439 3.560 30 20 CHED C=CCOc1cccc(CN2[C@H]3C=CC[C@H]2CC3)c1 678342202 TTZIJPKCXJQMEK-HOTGVXAUSA-N 255.361 3.544 30 20 CHED CC(C)c1ccc(/C=C2/CCc3c(cnn3C)C2=O)cc1 915658749 LFAJPBSETLZJFZ-GDNBJRDFSA-N 280.371 3.756 30 20 CHED C=CCC(F)(F)C(=O)Nc1c(F)cccc1NC(C)C 911930133 JWINFBCIIAZIIO-UHFFFAOYSA-N 286.297 3.796 30 20 CHED C[C@H]1C[C@@H](NC(=O)N2CCC(CCC#N)CC2)CC[C@H]1C 592010577 VYHHDHMJPRZEGI-YCPHGPKFSA-N 291.439 3.536 30 20 CHED C=C(CNc1nc2ccccc2n1C)c1ccccc1 673461812 YJSZUFNZIDUZCZ-UHFFFAOYSA-N 263.344 3.699 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 597375607 PYKRBUIRHJMGIQ-KBPBESRZSA-N 262.397 3.545 30 20 CHED Cc1cc(N2CCC[C@](C)(C#N)C2)nc(-c2cccs2)n1 591155183 SIQNHRZBNVNQJE-MRXNPFEDSA-N 298.415 3.644 30 20 CHED C#CCCCNC(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 745900074 WEQPSHWCHUHIMJ-WMZOPIPTSA-N 298.430 3.891 30 20 CHED FC1(F)CCC(=NNc2ncnc3sccc23)CC1 842522106 SUCJLXOFXVSJMN-UHFFFAOYSA-N 282.319 3.669 30 20 CHED N#C[C@]1(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)CC12CCCC2 598306035 PEFXVPONFGTERA-MDZRGWNJSA-N 294.398 3.523 30 20 CHED CCCCCCCC(=O)N[C@H](CC)C1CCOCC1 746361971 JMAKMICWLKJDIL-OAHLLOKOSA-N 269.429 3.668 30 20 CHED CC1(C)C[C@H](O)c2cc(-c3ccc(F)c(C#N)c3)ccc2O1 846783063 RFKPGWFMJKRMRC-INIZCTEOSA-N 297.329 3.959 30 20 CHED C=C[C@H](C)ON=C1CCc2[nH]c3ccc(OC)cc3c2C1 844621904 PGKNFRJNOYVLDF-NSHDSACASA-N 284.359 3.612 30 20 CHED C=CCNc1nc(C(=O)OCCC2CCCCC2)cs1 744552736 ZOUJLMHXWPFRSB-UHFFFAOYSA-N 294.420 3.868 30 20 CHED C=C[C@@H](C)ONC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 846551355 UKBFVOVHXNYHTG-ZIAGYGMSSA-N 291.391 3.508 30 20 CHED O=C1/C(=C\c2ccnn2CC2CC2)Cc2ccc(Cl)cc21 849246396 HWQWLQLICWLDRC-JYRVWZFOSA-N 298.773 3.769 30 20 CHED N#CC[C@H]1CCCN(c2nc(C3CCCCC3)ns2)C1 596324876 DPFZBWQBOIYTSE-GFCCVEGCSA-N 290.436 3.716 30 20 CHED CCCCCCCCN1CCC(NC(C)C)CC1 740876815 HSWXSAQXBDPVAR-UHFFFAOYSA-N 254.462 3.809 30 20 CHED CCSc1nnc(SCC2(C#N)CCCC2)s1 915446347 LFYFIUWFRQQYTQ-UHFFFAOYSA-N 285.463 3.826 30 20 CHED Cc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c(C)c1 593934009 IVHCNQSQIODBTJ-OAHLLOKOSA-N 292.382 3.992 30 20 CHED COc1ccc2cc(CN3CCC[C@H](CC#N)C3)ccc2c1 597174558 QXEAJVAYXGHIFB-OAHLLOKOSA-N 294.398 3.974 30 20 CHED COc1ccc(O)c(/C=N\C[C@H](C)Oc2ccc(C)cc2)c1 743042161 HHUSBMDACRUAAG-YQNUULROSA-N 299.370 3.596 30 20 CHED CC(C)CC1(NC(=O)Nc2ccc(C#N)cc2Cl)CC1 596802143 QEBLHTSFSBUJAI-UHFFFAOYSA-N 291.782 3.912 30 20 CHED C=CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 741868057 BLVPBIAZNJVSCX-LEWSCRJBSA-N 294.851 3.687 30 20 CHED C=CCN(C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)C(C)C 747587989 APJJQXRGTSNSNA-CABCVRRESA-N 274.408 3.785 30 20 CHED O=C(O)c1cccc(NN=C/C=C\c2ccc(F)cc2)c1 747735628 FNRJFGXTNLRIBE-LQZWJWGFSA-N 284.290 3.635 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc([N+](=O)[O-])cc1 743450755 PRVGDHYNUOVEPI-ZDUSSCGKSA-N 277.368 3.877 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(N(C)C)cc2)cc1 744376642 PTXXBVUYLUYIAT-UHFFFAOYSA-N 297.354 3.537 30 20 CHED CCN(C(=O)/C=C\c1ccccc1C#N)c1cccc(F)c1 914522636 WCCONOSUMSMLSC-KHPPLWFESA-N 294.329 3.764 30 20 CHED N#Cc1ccc(-c2cccc(N3CCCC3)c2)s1 592989095 RBIIABFUNGDMBZ-UHFFFAOYSA-N 254.358 3.887 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1ccsc1)c1ccccc1 593445279 FNAPXLDXJBXOBN-CQSZACIVSA-N 284.384 3.831 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3nc4ccccc4o3)C2)C1 590166069 OGDGFOJPIXYLEO-KFWWJZLASA-N 295.386 3.699 30 20 CHED CC(=NNc1ncccn1)[C@@H](C)c1nc2ccccc2s1 748781349 XVTHOYXKBBCERD-SNVBAGLBSA-N 297.387 3.678 30 20 CHED CC(=NNc1cccc2ccccc12)[C@@H]1CCOC1 741761075 FTXJYXHVJIKSAN-CQSZACIVSA-N 254.333 3.664 30 20 CHED C#Cc1cccc(N(C)Cc2noc(C3CCCCC3)n2)c1 746488012 VMSVKEYJAGUHEI-UHFFFAOYSA-N 295.386 3.735 30 20 CHED COc1cc(F)cc(C[C@H](C)N[C@H](C)CC(C)(C)C#N)c1 926556435 XRXYRBBFALJWPE-QWHCGFSZSA-N 292.398 3.683 30 20 CHED CC#CCNC(=O)Nc1ccc(Oc2ccccc2)cc1C 682395415 JYGXHMBVBGDPAW-UHFFFAOYSA-N 294.354 3.932 30 20 CHED CC(C)c1csc(SCc2ccc(C#N)cn2)n1 848436843 GRENGVSHSGAXSC-UHFFFAOYSA-N 275.402 3.825 30 20 CHED CCOc1ccc(C=O)c(OCCCC(C)(C)C#N)c1 747805517 SYDROEHKTTZVGV-UHFFFAOYSA-N 275.348 3.607 30 20 CHED CCCCCCCn1nc(C)c(CCC(=O)OC)c1C 842095925 XGJRAQBFKJYPFS-UHFFFAOYSA-N 280.412 3.576 30 20 CHED CC(C)[C@H](NC[C@H](O)CC#N)c1ccc(C(C)(C)C)cc1 929859878 BPVAAXIKHPXYLP-SJORKVTESA-N 288.435 3.545 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)CCc1ccccc1)OCC 756479606 KMJKMTGOXGBBCC-NVXWUHKLSA-N 290.403 3.922 30 20 CHED C#CC[C@H](NCc1cc(C)ccc1O)c1ccccc1 756998711 ZXNUKECIRIDPOT-KRWDZBQOSA-N 265.356 3.555 30 20 CHED C#CC[C@H](Nc1nc(O)c2ccccc2n1)c1ccccc1 756952899 FPAFAWRJTMNZBV-HNNXBMFYSA-N 289.338 3.512 30 20 CHED Cc1cc(C)nc(NN=C[C@@H]2CCCC(C)(C)C2)n1 752712605 AIMWLRWPPBFAIO-CYBMUJFWSA-N 260.385 3.708 30 20 CHED C/C(=C\C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 758941523 WUBXPGHFYZUVEP-UKTHLTGXSA-N 295.313 3.844 30 20 CHED CC1(C)C[C@]1(C(=O)OCCCCC#N)c1ccccc1 850292527 XJXNOHDFEKGIFO-QGZVFWFLSA-N 271.360 3.591 30 20 CHED C#C[C@H](CC)NC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 753259088 OCSCTWBFAMZPEY-HUUCEWRRSA-N 290.407 3.873 30 20 CHED Clc1cccnc1NN=CCCc1ccccc1 755653943 FNRIDQCSDKCXJK-UHFFFAOYSA-N 259.740 3.766 30 20 CHED C#CCCOC(=O)Oc1ccc(OC2CCCCC2)cc1 858946506 NPDOSXOZEYJAAZ-UHFFFAOYSA-N 288.343 3.937 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)Cc1ccccc1F 920172870 LTTXQWRXSAHRDL-ZDFPAGSVSA-N 287.334 3.590 30 20 CHED CC(C)(C)c1ccccc1NC(=O)N1CCC[C@@H](C#N)C1 929192059 SLIKAWKACFZXDX-ZDUSSCGKSA-N 285.391 3.752 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1cc(F)cc(F)c1O 757476873 VKADUYIJCFVYLS-IWQZZHSRSA-N 295.672 3.615 30 20 CHED C=C[C@H](OC(=O)C1CC(F)(F)C1)c1ccccc1 851451696 KUVGAMWDNVQQCF-LBPRGKRZSA-N 252.260 3.502 30 20 CHED CCc1cccc(NC(=S)N(C)c2cccc(C#N)c2)c1 920393807 VRZZLFVQHNJXDC-UHFFFAOYSA-N 295.411 3.954 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2CCC[C@H]2C)cc1C#N 757876843 RGGZJJQZPACENL-RISCZKNCSA-N 287.363 3.727 30 20 CHED C=C[C@@H](OC(=O)[C@@H](C)c1c(C)nn(C)c1C)c1ccccc1 851454065 XCRLPUWFJARPFV-BLLLJJGKSA-N 298.386 3.611 30 20 CHED C#Cc1cccnc1N1CCC(c2cccc(F)c2)CC1 853409517 CXIOWAVHKNIXDT-UHFFFAOYSA-N 280.346 3.586 30 20 CHED N#Cc1ccc(CSCCC2SCCS2)cc1 853795103 KSRISJYPEUKFKG-UHFFFAOYSA-N 281.471 3.988 30 20 CHED C[C@H]1CC/C(=C/C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 753640365 NVZBANVIDYMQRK-VWLVURMCSA-N 285.391 3.800 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 935785207 IVSJIRQJBJSNLQ-MISXGVKJSA-N 279.330 3.539 30 20 CHED FC(F)CON=Cc1c(Cl)ccc2cccnc12 758906229 CXDGUYXULWCDRY-UHFFFAOYSA-N 270.666 3.504 30 20 CHED C#CCCCC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 758010035 GGSKJGUVUOTRAJ-OAHLLOKOSA-N 283.415 3.761 30 20 CHED CC[C@H](C#N)OC(=O)/C=C\c1ccccc1C(F)(F)F 869739323 GKVQAVDJLOOEAP-SKVAFPRGSA-N 283.249 3.564 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCCCCC(=O)C1 862356309 WGFZIBIDWXQRNC-CQSZACIVSA-N 267.413 3.613 30 20 CHED CCN(C(=O)CCc1cccc2ccccc12)[C@@H](C)C#N 869284567 GUHLLRATSSUTLF-AWEZNQCLSA-N 280.371 3.533 30 20 CHED CC[C@H]1C[C@H](C)CN1Cc1ccc(N(C)CCC#N)cc1 769446924 DRXUMSCLHBPIRI-RDJZCZTQSA-N 285.435 3.657 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sccc1-c1ccc(F)cc1 767233394 WOJRWBBGFQPZIK-LLVKDONJSA-N 287.359 3.648 30 20 CHED CC#CCCOC(=O)c1ccc(C2SCCS2)cc1 760294073 CZHSFYAEJOLQQQ-UHFFFAOYSA-N 292.425 3.735 30 20 CHED CCC#C[C@@H](C)N1Cc2ccc(Br)cc2C1 765052695 LPHVDYNRTVKSHM-LLVKDONJSA-N 278.193 3.567 30 20 CHED CCCCCCCNC(=O)CCc1cccs1 862359651 PJAORENLGBHJPH-UHFFFAOYSA-N 253.411 3.767 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNC(=S)Nc1ccccn1 769585944 QWVMQXBNXQDRCR-NWDGAFQWSA-N 290.436 3.570 30 20 CHED Cc1ccc2c(CCC(=O)O[C@@H](C#N)C(C)(C)C)c[nH]c2c1 765630412 WGXOKVXRCXMEAG-INIZCTEOSA-N 298.386 3.890 30 20 CHED CCCCCCCc1nc(Cc2cccc(OC)n2)no1 762337882 KLHIQQSKYFATQR-UHFFFAOYSA-N 289.379 3.577 30 20 CHED CCC(CCc1ccccc1)=NN[C@@H](C)C(F)(F)F 863116313 MGYYVJNTWDSRBU-NSHDSACASA-N 272.314 3.926 30 20 CHED C=CCC1(NC(=O)[C@@H]2C[C@H]2c2ccco2)CCCCC1 868741947 QNLGSLOOIWNURM-ZIAGYGMSSA-N 273.376 3.778 30 20 CHED C=C[C@H](COC)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1116811411 RGKGVMXFFWFBCW-COXVUDFISA-N 259.393 3.662 30 20 CHED C=C(Cl)CN1CCC(CCN2CCCC[C@H]2C)CC1 763430273 DJLPXDYQQOYYDG-OAHLLOKOSA-N 284.875 3.715 30 20 CHED Oc1cccc(/C=N\[C@H]2CCCc3sccc32)c1O 767338459 PLWMOARLAGRTRV-PFSWGADMSA-N 273.357 3.656 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(OCC#N)cc1 1116140630 OKINIEZHHWIWEH-STQMWFEESA-N 289.379 3.535 30 20 CHED CCCCCCCCNC(=O)N[C@H]1C[C@H](C)O[C@H](C)C1 767239942 CSXMSRCFSFSOPU-QDMKHBRRSA-N 284.444 3.602 30 20 CHED CN(C(=O)C1CCCCC1)c1ccc(C#N)c(Cl)c1 876165848 FKFYSXLVZKLEMM-UHFFFAOYSA-N 276.767 3.755 30 20 CHED CC(=NNc1cccc(C#N)c1)c1cccc(F)c1F 776259204 FEVHKPZBTBMBMU-UHFFFAOYSA-N 271.270 3.673 30 20 CHED C[C@H](OC1CCCCC1)C(=O)OCCCC(C)(C)C#N 1116833094 HOQXIWCUCXISFH-ZDUSSCGKSA-N 281.396 3.597 30 20 CHED CCCc1nc(C)c(C(=O)OCCC(C)(C)C#N)s1 776375070 ZWELNSHMDLUXOE-UHFFFAOYSA-N 280.393 3.501 30 20 CHED C#CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 775397775 BFOLVGSRJADBBW-KRWDZBQOSA-N 294.354 3.757 30 20 CHED C=C(C)CNC(=S)N1CC=C(c2cccc(C)c2)CC1 770577732 FSKNKHPFHOBKFZ-UHFFFAOYSA-N 286.444 3.535 30 20 CHED C(=NOCCSc1ccccc1)c1cccs1 775325523 VVQDMTMCUCHTDS-UHFFFAOYSA-N 263.387 3.891 30 20 CHED CC(=O)Nc1ccc(C=NN[C@H]2CCCCC2(C)C)cc1 773127242 ZIMIJBCAEICLOY-INIZCTEOSA-N 287.407 3.537 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)c1cc(F)ccc1OC 779852585 NBHHJUBOZAKXBT-ZDUSSCGKSA-N 291.366 3.595 30 20 CHED CC(C)N(CCc1ccccc1)C(=O)c1cccc(C#N)c1 1115834508 GBQPKUHBQTWUIL-UHFFFAOYSA-N 292.382 3.652 30 20 CHED CC(C)Oc1cccc(CNc2c(C#N)cccc2C#N)c1 1116785128 LITCIURIIHCXQR-UHFFFAOYSA-N 291.354 3.829 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H](c1ccccc1)C1CC1 776394844 AZVHMAILSMBYDI-OAHLLOKOSA-N 271.360 3.663 30 20 CHED N#CCC[C@@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1 775554703 ZLZZXHUKGOVXEX-QWHCGFSZSA-N 283.202 3.815 30 20 CHED C=CC[C@@H](C(=O)NCCC1CCC1)c1ccccc1 777736422 QLQPJNSPFYJDRT-MRXNPFEDSA-N 257.377 3.653 30 20 CHED CCCCCCCCC(=O)N1CCO[C@H](C(C)C)C1 778487367 QWYDSLZRCIDLIW-HNNXBMFYSA-N 269.429 3.620 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccc(C#N)cc1F)C2=O 772807094 POVKEROHGNVLOL-ZSOIEALJSA-N 293.297 3.665 30 20 CHED C/C=C(/CC)C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1123347032 QSTHBOWQDAVOHF-KSXVILFYSA-N 287.750 3.749 30 20 CHED CC1(C)CCC[C@H]1C(=O)OCc1ccc(F)c(C#N)c1 772610636 WAGWTMXRTMQPEL-ZDUSSCGKSA-N 275.323 3.567 30 20 CHED C#CCCN[C@H](C)c1ccc(OCCC(C)C)c(OC)c1 775179138 BPSLAXPRYNASRZ-OAHLLOKOSA-N 289.419 3.794 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2F)Cc2ccccc21 774545766 GCCGMSLJCAHWNM-CYBMUJFWSA-N 280.346 3.817 30 20 CHED CC(=NNCCc1ccncc1)c1cc2c(s1)CCCC2 789094426 SAEMPMZSAQOMPD-UHFFFAOYSA-N 299.443 3.578 30 20 CHED C#CCn1ccc(CN(CC)C[C@H](CC)c2ccccc2)n1 789757509 ACOFWWYDUQSGJR-KRWDZBQOSA-N 295.430 3.532 30 20 CHED CCCCCCCCNC(=O)c1c(C)coc1C 786460741 VVVJLHOIMWTNBR-UHFFFAOYSA-N 251.370 3.987 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@@H](C(C)(C)C)C1)c1ccccc1 784396837 IQYBYASOHMCESW-SJORKVTESA-N 298.430 3.829 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 787476582 MJQRKZZASLFZDD-IWQZZHSRSA-N 285.690 3.685 30 20 CHED COc1ccc(NN=C(C)c2cc(C)cc(C)c2)nc1 780268443 JLCCZMSHLKBDNV-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C=CCCC(C)(C)NC(=O)c1c([N+](=O)[O-])ccc(C)c1C 893048965 JVDDDXDMEHKSEM-UHFFFAOYSA-N 290.363 3.686 30 20 CHED COc1ccc(C=NNc2ccnc(F)c2)c2ccccc12 781130604 ZLVPVJIXKXIRNY-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C=CCCCC[C@H](C)NCCOC1CCSCC1 898441324 SSCANCJWMQLBER-AWEZNQCLSA-N 271.470 3.623 30 20 CHED N#Cc1c(NC(=O)C2CCC2)sc2c1CCCCC2 78225781 QLDGPPLUMRCLJI-UHFFFAOYSA-N 274.389 3.627 30 20 CHED Fc1ccc([C@@H]2CCCC2=NOC[C@H]2CCOC2)cc1 788029165 CXFVDVMHNHAAFT-WFASDCNBSA-N 277.339 3.502 30 20 CHED C=C[C@](C)(CC)c1nc([C@@H]2CC2(Cl)Cl)no1 896810035 KNRYKBQAVJRWLT-OIBJUYFYSA-N 261.152 3.585 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NN[C@@H]1CCCC1(C)C 782287540 MMISZMZOSFWCST-OAHLLOKOSA-N 290.455 3.757 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N=C1C[C@@H](C)ON1 1138003396 TWKBLJVGGUWCOI-TZMCWYRMSA-N 280.412 3.612 30 20 CHED CCCC[C@H]1CCCC1=NN[C@@H](CO)c1ccccc1 788458586 ZIOLMNPRCFPYSP-YOEHRIQHSA-N 274.408 3.656 30 20 CHED C=CC(C)(C)CC(=O)OCCC[C@H]1CCCCC1=O 893068236 MYQXKJGQJYZSSM-CYBMUJFWSA-N 266.381 3.671 30 20 CHED CO[C@@H]1Cc2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2C1 784075941 HSCVCKUXGFBMAF-ORAYPTAESA-N 292.382 3.845 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccc(F)cc3C)cn2c1 789144210 TWMNRQSOSCDONT-FNORWQNLSA-N 294.329 3.986 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(O[C@H](C)C#N)cc1)CC2 780772820 HPCCLPYGIFFJKT-OAHLLOKOSA-N 292.382 3.849 30 20 CHED CCCCc1nnc(S)n1N=C[C@@H]1CCCC[C@@H]1C 783798824 JBCKDDRVLOPPIQ-RYUDHWBXSA-N 280.441 3.570 30 20 CHED FC(F)(F)[C@H]1CCCC(=NNc2ccccn2)C1 783511660 KEAYNWIBHQYTQM-VIFPVBQESA-N 257.259 3.602 30 20 CHED CN(CCc1cccc(Cl)c1)Cc1cccc(C#N)c1 1203762357 FMDNWLAXIAWIRK-UHFFFAOYSA-N 284.790 3.886 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3c(c2)ncn3C)oc1C 799895735 CYTHBFZBPORCAR-FNORWQNLSA-N 280.327 3.679 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2)c1 1132225546 LIHSQMFDYSLUPH-UHFFFAOYSA-N 280.302 3.827 30 20 CHED Clc1ccnc(NN=C2CCC[C@H]2c2ccccn2)c1 794928293 VWRLIIQQCOQVEM-LBPRGKRZSA-N 286.766 3.866 30 20 CHED CCO[C@H]1CC(=NNc2cccc(Cl)n2)C12CCCC2 793175900 XHSTUYSDEPNLGC-LBPRGKRZSA-N 293.798 3.872 30 20 CHED COCCCON=C1CCC[C@@H]1c1ccc(F)cc1 795048513 MCDRQWONRNCOBV-CQSZACIVSA-N 265.328 3.502 30 20 CHED Cc1cc(C#N)ccc1CN(Cc1ccoc1)C1CC1 723745700 VUCFNLAKVHJLMG-UHFFFAOYSA-N 266.344 3.624 30 20 CHED CC(C)c1cccc(C(=O)N(CC#N)C2CCCC2)c1 597275971 AAWDZBFMECMPTD-UHFFFAOYSA-N 270.376 3.718 30 20 CHED Cc1cc(C)c(/C=C2\CCc3nn(C)cc3C2=O)cc1C 794962339 OINHPTZBGOBBPO-NTEUORMPSA-N 280.371 3.558 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 73024508 SOIRRGFEGISJDX-OAHLLOKOSA-N 292.382 3.999 30 20 CHED C=CCOc1ccc(OC(=O)[C@H]2CCCC(F)(F)C2)cc1 799953438 MXXJNIHVXXTSDH-LBPRGKRZSA-N 296.313 3.982 30 20 CHED C=CCCCOC(=O)C1(c2cccc(C)c2)CCC1 735525679 MMDXVOYSOYJRGV-UHFFFAOYSA-N 258.361 3.926 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc2n[nH]cc2c1 794904611 LPGYGCIALCATFC-UHFFFAOYSA-N 292.386 3.509 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc3occc3c2)C1 589173283 SGJNSBIWPCSJRM-MRXNPFEDSA-N 254.333 3.558 30 20 CHED COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2O)cc1O 799894924 JAEPROUHWQMMAB-GQCTYLIASA-N 298.338 3.619 30 20 CHED C#C[C@@H](CCC)NC(=O)C(C)(C)c1ccc(Cl)cc1 791742255 DYAYRFOSEPZCSN-AWEZNQCLSA-N 277.795 3.536 30 20 CHED C=C(C)COC(=O)c1c(-c2ccccc2C)noc1C 796216788 SANDHVPWLVSSQQ-UHFFFAOYSA-N 271.316 3.691 30 20 CHED CCOc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1Cl 799721500 JRIKVEHIIBMWLI-QWRGUYRKSA-N 264.756 3.843 30 20 CHED C#CCCCCN[C@H](Cc1ccccc1C)C1CC1 793548306 KVXBPEXNDRXDAF-GOSISDBHSA-N 255.405 3.709 30 20 CHED N#CC1(c2ccccc2)CC(Nc2cncc(Cl)c2)C1 691054198 XPZCHWKLVMXUIH-UHFFFAOYSA-N 283.762 3.771 30 20 CHED N#CCN(C(=O)C1CCCCCCC1)C1CCCC1 86579790 QNFKTQSDDRYQAF-UHFFFAOYSA-N 262.397 3.642 30 20 CHED CCn1c(-c2ccccc2F)nc2cc(C#N)ccc21 86635454 PXYTYHLYGLGKBE-UHFFFAOYSA-N 265.291 3.734 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(C)s2)cc1C#N 87823959 HGBCODJNZYVKNM-GFCCVEGCSA-N 286.400 3.788 30 20 CHED CC(C)(C#N)CCCOc1cccc2c1CCCC2=O 88152625 FZYVREMMZZMMKM-UHFFFAOYSA-N 271.360 3.914 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccccc1C#N 88154188 NLZYTYPBMDCMPO-UHFFFAOYSA-N 262.312 3.626 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1nc(C#N)c(Cl)s1 1306967455 IQOOTGBWDYWETF-HRDYMLBCSA-N 269.801 3.905 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNc1nnc(C)c(C)c1C#N 1307142137 TZNLBAKXZMQNLD-CABCVRRESA-N 286.423 3.984 30 20 CHED CCCCCCCOC(=O)c1ncoc1[C@H]1CCCO1 1318631184 RNOHJLHJTFMWHB-GFCCVEGCSA-N 281.352 3.653 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)N(C)C[C@H](C)C#N 1320163410 AGHHBVJHHDVYTP-SECBINFHSA-N 279.771 3.580 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2F)ccc1F 1324408934 MGGCYCCFCVKFAN-VQHVLOKHSA-N 274.266 3.870 30 20 CHED N#CCSCc1nnc(Cc2cccc3ccccc23)o1 1322243548 NCARRRZTKHBZQR-UHFFFAOYSA-N 295.367 3.570 30 20 CHED N#Cc1ccc(OCc2nnc([C@@H]3CC34CCCC4)o2)cc1 1322128515 VORUEVJXAXFECK-AWEZNQCLSA-N 295.342 3.568 30 20 CHED C=CCCC[C@H](N)c1nc([C@H]2CCCc3ccccc32)no1 1262481072 GAQUFWHXTDOMSA-HOTGVXAUSA-N 297.402 3.894 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2C)C1 1265313534 JMZWDXXREQQSKL-UKRRQHHQSA-N 270.376 3.565 30 20 CHED C=C(CC(C)C)C(=O)N1CC=C(c2ccc(O)cc2)CC1 1347283579 LWWJMWAUZKFGMO-UHFFFAOYSA-N 285.387 3.610 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2csc(C#N)c2)c1C 1344096733 VRYAZFBAICXBSV-LBPRGKRZSA-N 284.384 3.728 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(C#N)cc1 1351388812 NCFWTVMYVSPUHM-CYBMUJFWSA-N 264.328 3.609 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 1351645367 LHVFMDQVFLWOOU-DZGCQCFKSA-N 293.432 3.639 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1ccccc1SC 1353680603 ZRQXKAVNEGMTHU-LBPRGKRZSA-N 263.406 3.942 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)[C@@H](CC#N)c1ccccc1 1275116894 OTHXPARUAHVTMP-ZFWWWQNUSA-N 272.392 3.625 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCCOc2c(F)cccc21 1358112432 UFJNOMZSWYFHTK-CQSZACIVSA-N 277.339 3.512 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCC(C)CC1 1286620873 UZDKNCLCAMCUJB-GFCCVEGCSA-N 296.846 3.780 30 20 CHED Cc1nc(N[C@@H](C)[C@@H]2CCC[C@H](C)C2)ccc1C#N 1458434744 XWUROTZGJYMISB-SGMGOOAPSA-N 257.381 3.888 30 20 CHED N#Cc1nc(=N[C@@H](CC2CCCC2)c2ccccc2)cc[nH]1 1458268632 PJUJVKHKCAQAAR-INIZCTEOSA-N 292.386 3.504 30 20 CHED C[C@@H](Nc1cc(C#N)cnn1)c1csc2ccccc12 1458685080 KGZIMTRGZGWCRA-SNVBAGLBSA-N 280.356 3.736 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1ccc(Cl)nn1 1459138692 BAADULSXQCVSIC-UHFFFAOYSA-N 294.141 3.543 30 20 CHED Cc1cc(NC(=O)c2cc3c(C)cccc3o2)ncc1C#N 1537727442 XIBKHGMASZQTMO-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CC1(C)CCN(C(=O)Cc2ccc(C#N)cc2)CC(C)(C)C1 1538706154 DMPXURNNAMPVRX-UHFFFAOYSA-N 298.430 3.776 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2C#N)on1 1538943824 RRDDPWGHIGYSSM-UHFFFAOYSA-N 289.722 3.575 30 20 CHED Cc1cc(CN2CCCN(C)c3ccccc32)ccc1C#N 1474556010 ALLILCUDWKUNLX-UHFFFAOYSA-N 291.398 3.713 30 20 CHED C=C(CNC(=O)NC[C@H]1CCCC1(C)C)c1ccccc1 1635545587 FXPOFQNVMILFJK-MRXNPFEDSA-N 286.419 3.825 30 20 CHED C=C(Cl)CN[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 1560156404 MPMJWHBTZFVLMK-ZDUSSCGKSA-N 299.773 3.551 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1F 229593125 PNCRDTCPQYTCHQ-DOMZBBRYSA-N 260.356 3.756 30 20 CHED Cc1ccc(CC(C)(C)Nc2ccc(C#N)cn2)cc1 1642819901 IGJRFQZAVYOKGW-UHFFFAOYSA-N 265.360 3.695 30 20 CHED C[C@H]1Cc2ccccc2N1Cc1ccc(F)c(C#N)c1 229747334 UVONBZHHEGQKKE-LBPRGKRZSA-N 266.319 3.649 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1nc2cccc(F)c2o1 1642654338 UJNYJUPYDGEYGO-CQSZACIVSA-N 293.301 3.938 30 20 CHED C#C[C@H](CC)NCc1ccc(Cl)c(Br)c1 229892136 DCHGPSNABLFYSA-SNVBAGLBSA-N 286.600 3.604 30 20 CHED COc1cc(COc2c(C)cc(Cl)cc2C#N)sn1 1652906603 MCBYMGPODSVCLQ-UHFFFAOYSA-N 294.763 3.564 30 20 CHED C=CC[C@H](C)Sc1ccc(Cl)cc1-c1nn[nH]n1 1588539755 YECPRAYVUVBBCF-QMMMGPOBSA-N 280.784 3.577 30 20 CHED Cc1nnc(CSc2ccc(Cl)cc2C#N)s1 1652691498 GLJNFHOWPZZVGS-UHFFFAOYSA-N 281.793 3.664 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 1588605603 IBFOJRFJIMJXET-UHFFFAOYSA-N 289.375 3.590 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C(=O)O)c1cccc(C)c1 1776180844 XGXKSEMOCPMSBQ-GOSISDBHSA-N 295.382 3.809 30 20 CHED C=CCCCN(C)[C@@H](C(=O)O)c1ccc(F)cc1Cl 1776174052 WXNHHSSYKROJLO-CYBMUJFWSA-N 285.746 3.503 30 20 CHED C=CCC1(C(=O)O)CCN(CC2CCC(C)(C)CC2)CC1 1776158416 QJYZINOSFOJLIP-UHFFFAOYSA-N 293.451 3.946 30 20 CHED Cc1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)cc1C 1777433864 FWVKUKUIUDYXMG-GQCTYLIASA-N 286.352 3.959 30 20 CHED N#Cc1ccc(NC(=O)/C=C/c2ccc(Cl)s2)cc1 11367365 NDESCAGNMYYZCI-SOFGYWHQSA-N 288.759 3.925 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1ccc(F)cc1Cl 150827022 BPQWHCCSOMUQBK-LLVKDONJSA-N 296.773 3.643 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CCC(=O)C[C@H]1C)c1ccccc1 161778194 PGVDOIOTNWSFKT-OLMNPRSZSA-N 299.414 3.815 30 20 CHED C=CCN(C)C(=O)c1sc2cccc(F)c2c1C 161824226 NCTBTUFSNXOWKH-UHFFFAOYSA-N 263.337 3.607 30 20 CHED C[C@@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 160529948 ZHKZDPPUAOYGDA-NVXWUHKLSA-N 299.418 3.863 30 20 CHED C=C[C@H](CC(=O)N(CC)CC(=C)C)c1ccccc1 152297971 SRGBNHDMCUFTNX-OAHLLOKOSA-N 257.377 3.771 30 20 CHED CCn1nccc1/C=C1\C(=O)c2cccc(C)c2[C@@H]1C 157588277 BUFFWZAUYSALBE-DYTQJMLRSA-N 266.344 3.595 30 20 CHED C=CC[C@@H](C(=O)N1C[C@H](C)S[C@H](C)C1)c1ccccc1 547654019 FZFWPSLPEFFGED-IJEWVQPXSA-N 289.444 3.699 30 20 CHED CC[C@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)C1 1162120243 KQNAFPFDXJKACV-ZDUSSCGKSA-N 271.408 3.877 30 20 CHED C=C(Cl)COC(=O)C1(c2cccc(C)c2)CCC1 875615707 UVRWWEMDMZEAHF-UHFFFAOYSA-N 264.752 3.712 30 20 CHED N#CCCCc1nc(Cc2c(Cl)cccc2Cl)no1 236037948 QLPUESWLTFPYEA-UHFFFAOYSA-N 296.157 3.813 30 20 CHED CC1(C)CCC[C@@H](CNCc2cc(C#N)cs2)C1 1308437890 ULHRZBNMVLXAGG-GFCCVEGCSA-N 262.422 3.926 30 20 CHED C[C@@H](NCCc1ccccc1F)c1ccc(C#N)cc1 19912672 AOSRUVXJPRWZEZ-CYBMUJFWSA-N 268.335 3.591 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 136168367 MEIQTRICJBDAEW-GFCCVEGCSA-N 270.254 3.584 30 20 CHED N#Cc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1Cl 35052304 RZDHIDMDSVPRIE-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CC(C)N(CCNc1cccc(Cl)c1C#N)C(C)C 48935833 BBCVQSGFBICMQQ-UHFFFAOYSA-N 279.815 3.742 30 20 CHED C[C@H](C#N)N(C)C(=O)c1sc2cc(F)ccc2c1Cl 604429791 KEZBXCWDUQUNPH-SSDOTTSWSA-N 296.754 3.678 30 20 CHED Cc1ccc([C@@H](C)NCCc2cccc(C#N)c2)cc1 467438483 NKPOPIUMHMBYCR-OAHLLOKOSA-N 264.372 3.760 30 20 CHED CC1(C)CN(Cc2cc(F)ccc2C#N)[C@H]2CCC[C@@H]21 378846671 STQXWGHQSFBLEA-HOTGVXAUSA-N 272.367 3.708 30 20 CHED CC1(C)CN(c2nccc(C#N)c2Cl)[C@@H]2CCC[C@H]21 381258751 WUYMMNPZXSBSKI-VXGBXAGGSA-N 275.783 3.622 30 20 CHED CC(=NOCc1ccccc1)c1ccc(C)nc1C 814792895 YMVHRZFGDVMRFV-UHFFFAOYSA-N 254.333 3.639 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 397706888 UBXUFQFBXAAIRX-JTQLQIEISA-N 297.185 3.759 30 20 CHED C#CCN(Cc1ccccc1)Cc1cc(-c2ccco2)on1 796630972 BPYPIURVVQKKAZ-UHFFFAOYSA-N 292.338 3.570 30 20 CHED c1ccc(COCCCNN=C2CCCCC2)cc1 863180771 SBFAGCPHNPMLOD-UHFFFAOYSA-N 260.381 3.503 30 20 CHED N#Cc1cc(F)ccc1Cn1ccc(-c2ccsc2)n1 111178065 QZTXNVYXNMQZOC-UHFFFAOYSA-N 283.331 3.671 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C(\C)C1CC1 55277495 VINJNYJSRJVWTF-WYMLVPIESA-N 255.361 3.558 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2oc(C)cc2C)c1 176468825 KSIDDXLYTMPFFW-UHFFFAOYSA-N 267.328 3.544 30 20 CHED COc1ccc(F)cc1[C@H](C)N[C@H](C#N)C1CCCCC1 115606079 HRYIJSBVQVTXPG-BLLLJJGKSA-N 290.382 3.957 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 171881844 ZSGUBHSRPFSFNO-SNVBAGLBSA-N 276.405 3.729 30 20 CHED CCCC/C(N)=N/OCc1nc(-c2ccccc2)oc1C 63460084 UFJPMZHORNGYQK-UHFFFAOYSA-N 287.363 3.629 30 20 CHED CC(C)(NCCCCC#N)c1cccc(Cl)c1 179604052 YWOKBPZYGZTYLU-UHFFFAOYSA-N 250.773 3.859 30 20 CHED CCSc1cccc(NC(=O)NCCCCC#N)c1 172215247 HDSWYBKQMZPEEP-UHFFFAOYSA-N 277.393 3.614 30 20 CHED CCS[C@H]1CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1 176703971 BVOUXNBXQWBNKA-KBPBESRZSA-N 294.464 3.641 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccccc1Cl 178640744 LAKWRLJPXYJJJT-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Cc1c(CN(CCC#N)CCC(C)C)cccc1[N+](=O)[O-] 173545589 RNHWLALIJUGOBK-UHFFFAOYSA-N 289.379 3.665 30 20 CHED Cc1ccc(N/C(N)=N/Cc2ccc(F)c(Cl)c2)cc1 303770643 BZVXHGOSVUFXEA-UHFFFAOYSA-N 291.757 3.714 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)Cc2ccc(F)cc21 176410164 OHQMFFSNIUACLD-GHXNOFRVSA-N 283.258 3.556 30 20 CHED CCCCCCCCc1nc(C2CCOCC2)no1 113755018 INPAFORFGKXPMR-UHFFFAOYSA-N 266.385 3.867 30 20 CHED C=C(C)CNC(=O)C1CCC(c2ccccc2)CC1 161278812 XLFKMQPMNRUUEC-UHFFFAOYSA-N 257.377 3.653 30 20 CHED C[C@H](NC(=O)c1cccc(CC#N)c1)[C@@H](C)c1ccccc1 177191103 XXSWGGQVAAJYFZ-CABCVRRESA-N 292.382 3.675 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccc(C)cc1 65775756 FOTYJTJDNCVSSL-UHFFFAOYSA-N 279.383 3.866 30 20 CHED CCCCN(CC)C(=O)c1cccc(SCC#N)c1 175557196 STRZDGRJNDFADE-UHFFFAOYSA-N 276.405 3.564 30 20 CHED Cc1cc(C)cc(CSc2nccc(C#N)c2[N+](=O)[O-])c1 301680757 VBBJFAKZWHPEOD-UHFFFAOYSA-N 299.355 3.771 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1cc(C)oc1C 65501935 ZZKOGKJGAWVCFM-GFCCVEGCSA-N 264.369 3.565 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc(C#N)cc1 172224051 ODVKXBGASMMINJ-HNNXBMFYSA-N 292.382 3.677 30 20 CHED C=CCSCCC(=O)Nc1ccccc1Cl 114757286 ZTJULADSEBSFRO-UHFFFAOYSA-N 255.770 3.588 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccccc2Cl)C1 116810525 FLKSQBRNGRJNQX-NHYWBVRUSA-N 276.767 3.542 30 20 CHED Cc1cccc(C2(C/N=C(\N)N(C)C3CC3)CCCCC2)c1 305810468 IYCSJZLUUGVBIY-UHFFFAOYSA-N 299.462 3.606 30 20 CHED C[C@@H](Cc1cccs1)N(C)c1snc(Cl)c1C#N 301749142 SVZGTVCEFXRDRU-QMMMGPOBSA-N 297.836 3.797 30 20 CHED C=C(C)CCC(=O)N1CCSC[C@@H]1c1ccc(C)cc1 1346823472 UUHUDYFCTGGDQL-MRXNPFEDSA-N 289.444 3.968 30 20 CHED COc1cc(Oc2ncnc3cccc(C)c23)ccc1C#N 302797234 ALPQIIPNQUDLBE-UHFFFAOYSA-N 291.310 3.611 30 20 CHED C=CCCCC(=O)OCc1coc(-c2ccccc2)n1 174915514 MCUXRGDHNOEAJF-UHFFFAOYSA-N 271.316 3.741 30 20 CHED C[C@H](C1CC1)n1cc(Nc2ncc(C#N)cc2Cl)cn1 302377881 GFLAYPFMFBSMBR-SECBINFHSA-N 287.754 3.518 30 20 CHED Cc1nnc(N2CCCC3(CCCCCC3)C2)c(C#N)c1C 301466320 LRTQHXXVZIYVBO-UHFFFAOYSA-N 298.434 3.906 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)CC(C)(C)C 60440694 FXPJTNIMBMJHSJ-UHFFFAOYSA-N 295.766 3.952 30 20 CHED COc1ccc(OCc2ccc(C#N)cc2F)cc1C 174171470 XHDIUULNQDMFMY-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C#CCCCNC(=O)N(C1CCC(CC)CC1)C1CC1 178165806 QBWJIGNDTRCUNJ-UHFFFAOYSA-N 276.424 3.543 30 20 CHED C=CCOCCCC(=O)N1CCc2sccc2[C@H]1CC 173471114 SHJUXXLHGNNZGD-CQSZACIVSA-N 293.432 3.567 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc(C=O)cc1Cl 302882730 KEROWXJTPCKHFI-UHFFFAOYSA-N 282.686 3.688 30 20 CHED C=C[C@@H](C)Nc1nn2cc(-c3ccc(F)cc3)nc2s1 129291242 DOVUWZUOVYVRND-SECBINFHSA-N 288.351 3.583 30 20 CHED N#Cc1cc(F)ccc1N1CCOC2(CCCCCC2)C1 301670631 OASJFXJVXHPQBU-UHFFFAOYSA-N 288.366 3.627 30 20 CHED N#Cc1nc(Oc2ccc(-n3cccn3)cc2)ccc1Cl 301578960 NBKGYXDFNJSAJP-UHFFFAOYSA-N 296.717 3.585 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@@H]1CCCS1 129347071 NYWKRDWQSFNWJI-HNEYUBDGSA-N 271.385 3.860 30 20 CHED C=C(C)CCSc1nc(-c2ccc(C)cc2)n[nH]1 505443352 GYEDFGBKBQZHDM-UHFFFAOYSA-N 259.378 3.838 30 20 CHED COc1ccc([C@@H](C)NCc2cccc(C#N)c2)c(C)c1 414072339 UZHYQNHDVLBKGF-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(-c2ccccc2)co1 412321160 MSJDOVRGSRSBHS-UHFFFAOYSA-N 270.332 3.882 30 20 CHED Cc1ccnc(NC[C@H]2CCCCC(F)(F)C2)c1C#N 488457236 APLNPFBCVRFYTC-LBPRGKRZSA-N 279.334 3.889 30 20 CHED CCCCCCCC(=O)NCc1ccc(C(C)(C)O)cc1 184702456 BUXBSRSYSCCKPH-UHFFFAOYSA-N 291.435 3.891 30 20 CHED CCOc1cc(/C=C\C(=O)c2cccs2)ccc1O 211715353 LBQGVGGYNUOJCG-VURMDHGXSA-N 274.341 3.749 30 20 CHED CC1(C)CN(CCC2(C#N)CCCCC2)[C@@H]2CCC[C@H]2O1 411693031 LIWUJZXPJXLUTD-HZPDHXFCSA-N 290.451 3.882 30 20 CHED CC[C@H](CC#N)N[C@H]1CC[C@H](Cc2ccccc2)C1 188486413 XHWKLLKMHUDTFI-ZACQAIPSSA-N 256.393 3.680 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OC2CCC2)c(F)c1 181776585 WMUJQZKZYABIBB-UHFFFAOYSA-N 292.354 3.797 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@]1(C)CCC[C@@H]1C 410590802 LXOXNZGTFYDGRV-MEDUHNTESA-N 256.349 3.632 30 20 CHED C=CCN(CC=C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl 411165975 RCLMDBOGTDFUEJ-ZDUSSCGKSA-N 292.810 3.649 30 20 CHED Cc1c(C(=O)/C=C/c2cccnc2Cl)cnn1C(C)C 188891559 MRGPORCPGBFHHX-VOTSOKGWSA-N 289.766 3.717 30 20 CHED C[C@@H](C#N)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 78303921 ZCIHBJWOKDMKPR-JTQLQIEISA-N 295.367 3.706 30 20 CHED CC1CCC(CC(=O)N2CCc3cc(C#N)ccc32)CC1 416018510 WSNSWTXDNHSMAW-UHFFFAOYSA-N 282.387 3.664 30 20 CHED C=C(Cl)CSc1nnc(-c2ccccc2)n1CC 47819670 WUJVQDDWOWDCCK-UHFFFAOYSA-N 279.796 3.810 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 410126439 ZOLWUWXHKLXFEM-MJBXVCDLSA-N 279.330 3.506 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)c1ccccc1C 130386771 YSMDMUIRWCPUPV-UHFFFAOYSA-N 280.371 3.902 30 20 CHED C=C(C)CCN[C@H](Cc1cccc(OC)c1)C1CC1 508964209 DCSFUPHTEOBVTP-QGZVFWFLSA-N 259.393 3.572 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H]2CCCCN2c2ccccc21 411015043 PZSRPVNEJRKWQW-HNNXBMFYSA-N 298.430 3.994 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C1CCC(C(F)(F)F)CC1 410836172 QKXGRAYWJRFFGN-HTAVTVPLSA-N 290.329 3.506 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc([C@@H](C)C(=O)OC)c1 412543200 FCIDHCCDMJLKLW-PXAZEXFGSA-N 289.375 3.504 30 20 CHED Cc1nc2ccc(N=C(O)CC3CCCCCC3)cn2n1 329120618 VSJNFLFOFFVRIX-UHFFFAOYSA-N 286.379 3.986 30 20 CHED CCCCCCCC[S@@](=O)Cc1noc(C(C)C)n1 190793676 JXAJCIAIFLHBQV-LJQANCHMSA-N 286.441 3.802 30 20 CHED C=CCCCSCc1ccc(C(=O)OC)cc1 609782298 NYGFPLRKGKWHHL-UHFFFAOYSA-N 250.363 3.673 30 20 CHED Cc1ncoc1/C(O)=N/[C@@H]1CC[C@H](c2ccc(F)cc2)C1 329930865 ZXWVXPRYTMNKAH-GXTWGEPZSA-N 288.322 3.763 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C(C)(C)C)oc2ccc(F)cc12 85430996 PVIRNQMAKBTGNR-ZDUSSCGKSA-N 288.322 3.548 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2nnc(CC)o2)c1 135088861 PWZRQOATVZFUGG-QGZVFWFLSA-N 299.374 3.840 30 20 CHED CCN(Cc1ccccc1C)C(=O)C(C#N)(CC)CC 527855834 WWQYGIYWLFUTJS-UHFFFAOYSA-N 272.392 3.674 30 20 CHED CC[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 131105798 KWXOSTMCIGUZTJ-ZDUSSCGKSA-N 285.391 3.752 30 20 CHED C=CCC[C@H](C(=O)N(CC=C)CC=C)c1ccccc1 193123807 XZKUHGRXGNOKCF-KRWDZBQOSA-N 269.388 3.937 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cnc3ccccc3c2)CCC1=O 328907341 LLIRHIYWYUVCBV-AAEUAGOBSA-N 282.343 3.828 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1cc(C#N)cs1 84084639 WEVCNJHGRZTSJO-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 424743631 UACFAVMQGCDXSP-MRXNPFEDSA-N 286.419 3.692 30 20 CHED C=CCC1(C(=O)NC[C@H](OCC)c2ccccc2)CCC1 194123401 XMHJHXRIJDHXLF-INIZCTEOSA-N 287.403 3.627 30 20 CHED COc1cccc([C@H]2CCCN2CCCCC#N)c1 160958863 QRQNKDKGYLMPLH-MRXNPFEDSA-N 258.365 3.526 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(F)c(F)c2)no1 191165430 PDNUJZUOMUUABR-CQSZACIVSA-N 264.275 3.869 30 20 CHED CC(C)Oc1ccc(N(C)CCCSCC#N)cc1 191583017 ITARJCHVUNRLJD-UHFFFAOYSA-N 278.421 3.557 30 20 CHED CC(C)CN(CCC#N)C(=O)C1CCCCCCC1 86579699 AGMQJXKEDPELDB-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C#CCCCC(=O)NCC(CC)(CC)c1ccccc1 192142412 TYZMEUDDFOTURR-UHFFFAOYSA-N 271.404 3.664 30 20 CHED C=CC[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 192999914 ZDZKXZNRJGUREI-NHYWBVRUSA-N 260.337 3.526 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCCCc3ccccc32)C1 424128482 RFCVPYPQFZORRC-UKPHBRMFSA-N 254.377 3.736 30 20 CHED C[C@H](Cc1ccc(F)cc1Cl)NCCCCC#N 421826550 SYNKSXNYMVSCOA-LLVKDONJSA-N 268.763 3.694 30 20 CHED CC[C@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1Cl 335584591 ZPNAOPBXJJSJSH-LBPRGKRZSA-N 291.782 3.812 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1cccc(Cl)c1Cl 86280280 RHPWRTZYYYLHPK-QMMMGPOBSA-N 286.162 3.759 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 84697648 AZCKNRFGTOBQPU-TZMCWYRMSA-N 289.375 3.597 30 20 CHED Cc1cccc(CC/N=C(/O)NC(C)(C)CC(C)(C)C)n1 330997835 MTGDRGSBKKMKNQ-UHFFFAOYSA-N 291.439 3.651 30 20 CHED Cc1oc(C(C)C)cc1/C(O)=N/C[C@]1(C)CCCO1 330605830 HXVSZYHTUSOPHT-HNNXBMFYSA-N 265.353 3.585 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CC(C)(C)C)CC(C)(C)C 331231761 QSUQJGPCAPJJLR-UHFFFAOYSA-N 290.407 3.994 30 20 CHED N#Cc1ccc(N2CCC[C@H]2Cc2ccc(F)cc2)cc1 515607436 SWQPBWHSKAPOFN-SFHVURJKSA-N 280.346 3.909 30 20 CHED C[C@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)CC(C)(C)C 617984577 SFWQKYZZHQMUTB-KGLIPLIRSA-N 278.440 3.990 30 20 CHED Cc1cccc2cc(C(=O)N3CCC(CCC#N)CC3)oc12 335501438 PHBBHIWTMCQNLX-UHFFFAOYSA-N 296.370 3.897 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cnc(C)s1 90409216 HGHCMLWWAUZXJS-LBPRGKRZSA-N 288.416 3.867 30 20 CHED Cc1cc(SCCCO[C@@H]2CCCCO2)ccc1C#N 514940095 XDJBLPJYHLPGQX-MRXNPFEDSA-N 291.416 3.892 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2ccc(C#N)cc2)C1 534429565 BYJXJCUBASANHI-ZDUSSCGKSA-N 256.349 3.713 30 20 CHED N#CCCCCN[C@@H]1CCc2sc(Br)cc21 293913860 XAAHWIKTFSWGLC-SNVBAGLBSA-N 299.237 3.781 30 20 CHED C=CCC[C@@H](NCc1cccc(CN(C)CC)c1)C1CC1 439005936 WSBCBNRDZNDNJN-LJQANCHMSA-N 286.463 3.973 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(F)cc1C#N 97473079 POYAHNXFZASZOA-JTQLQIEISA-N 287.294 3.515 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2C[C@H](C)CCC[C@H]2C)cc1 93509183 CINWYWKFXCOTLP-OAGGEKHMSA-N 286.419 3.988 30 20 CHED C=CCCCCNCc1cnn(Cc2ccc(F)cc2)c1 436410725 KWZBCXHUMCBAAF-UHFFFAOYSA-N 287.382 3.516 30 20 CHED COc1ccc(F)cc1NC1CCC(C)(C#N)CC1 334650633 DMUTUUJVDJAWRH-UHFFFAOYSA-N 262.328 3.719 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccs2)s1 430613063 UJGXELXCPCCANY-VIFPVBQESA-N 290.413 3.992 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(OC)cc1C 432847832 QYPDLFHAJDZIGO-UHFFFAOYSA-N 276.380 3.727 30 20 CHED Cc1ccsc1C(=O)Nc1cc(C#N)c2ccccc2n1 345041264 WPZCHMHTGFXCIX-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@@H]1CN(CCCSCC#N)CC[C@H]1c1ccccc1 245494799 ODRWWMNADYIEKD-NVXWUHKLSA-N 288.460 3.759 30 20 CHED CC#CCCCC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 342011581 DUWYNRRBIKCASU-CYBMUJFWSA-N 287.407 3.864 30 20 CHED CCC(CC)[C@H](NC(=O)CSCC#N)c1ccccc1 341132817 JERHYCVLKPZSSX-INIZCTEOSA-N 290.432 3.537 30 20 CHED C=CC[C@H]1N(C(=O)NCC2(SC)CC2)CCCC1(C)C 434545823 CHFUHJRUFZUCJV-CYBMUJFWSA-N 296.480 3.658 30 20 CHED CS[C@@H]1CCCCN([C@@H](C)c2cccc(C#N)c2)C1 248958898 QPYCFJWFSODMTD-XJKSGUPXSA-N 274.433 3.837 30 20 CHED C[C@@H](NC(=O)N1CCCC2(CCC2)C1)c1ccc(C#N)cc1 348706081 NHCFOOIXDIIEEA-CQSZACIVSA-N 297.402 3.595 30 20 CHED CC[C@@H](CC(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C 609162806 UEGWZMSZRDKZAT-HIFRSBDPSA-N 272.392 3.808 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SCC(F)F 609620548 KUMTZWHMPNTRMN-UHFFFAOYSA-N 276.311 3.977 30 20 CHED N#Cc1cc(NC(=O)NC2(c3ccccc3)CC2)ccc1F 343171403 ANHHOLNOWCMAQK-UHFFFAOYSA-N 295.317 3.508 30 20 CHED Cc1noc(C)c1CSCc1ccc(CC#N)cc1 342499760 YPAIKVAHWGCUNU-UHFFFAOYSA-N 272.373 3.791 30 20 CHED C=CCOc1cccc(CN(Cc2ccccn2)C2CC2)c1 349276894 KQDNODCBBJKHNU-UHFFFAOYSA-N 294.398 3.811 30 20 CHED CN1CC[C@@H](NCC(C)(C)CCC#N)C[C@@H]1c1ccccc1 340393476 PQJSIQQXIRVXNO-QZTJIDSGSA-N 299.462 3.741 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C[C@@H]1CCC[C@@H]1C 602386121 HVVBKSHMEPEFTR-JSGCOSHPSA-N 288.366 3.817 30 20 CHED CN(Cc1c(Cl)cccc1Cl)CC1(C#N)CC1 347456367 FAUIEQWWECJFJT-UHFFFAOYSA-N 269.175 3.729 30 20 CHED CC(C)(C#N)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 603883822 SLNOFEPYPQLWDB-UHFFFAOYSA-N 298.317 3.650 30 20 CHED C[C@@H](CC(=O)N1CCCc2cc(C#N)ccc21)c1ccco1 602341205 IWILQFJFTSAOKB-ZDUSSCGKSA-N 294.354 3.624 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H](C)C2(C)CC2)c1C#N 343523436 GDPDKGPLRGYVIB-SNVBAGLBSA-N 263.772 3.540 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(C[C@H](C)CCC#N)[C@@H]2C 602598886 ZMZNFQSNYXEBCL-QLFBSQMISA-N 286.419 3.943 30 20 CHED C[C@H](NCc1ccc2c(c1)COC2)c1ccc(C#N)c(F)c1 346180003 LOZWVHMVQPLZSU-LBPRGKRZSA-N 296.345 3.578 30 20 CHED Cc1noc(C)c1[C@@H](C)C/N=C\c1cc(Cl)ccc1O 255247187 PQQXXIXFKKSIAE-NRMZQKLJSA-N 292.766 3.873 30 20 CHED CCCCC1CCC(CNC(=O)NCCCC#N)CC1 344014689 PYDSXDDPPRVHMQ-UHFFFAOYSA-N 279.428 3.586 30 20 CHED COc1ccc(CNc2cc(C)cc(C#N)c2)c(C)c1OC 449761173 VJNBIPMNPVRZBU-UHFFFAOYSA-N 296.370 3.804 30 20 CHED Cc1cc2cc(NC(=O)c3ccc(F)c(C#N)c3)ccc2[nH]1 346130986 AEBIIFVDVNYVPE-UHFFFAOYSA-N 293.301 3.739 30 20 CHED O=C(/C=C\c1ccc(Cl)c(F)c1)c1cccnc1 255522654 GTHPPQWPLZKGJS-XQRVVYSFSA-N 261.683 3.770 30 20 CHED CNCC1(c2ccc(-c3ccc(F)cc3C#N)cc2)CC1 600789495 RHHQFWXCHMNZHB-UHFFFAOYSA-N 280.346 3.615 30 20 CHED C=CCC[C@@H](CCC)Nc1cc(C)cc(C(N)=O)c1 449526427 DQQBFGVAMGAMTE-CQSZACIVSA-N 260.381 3.641 30 20 CHED C=CCOc1cccc(CN2CCC[C@@H]2c2cc(C)no2)c1 352086433 CDEQITLWNKBWIE-QGZVFWFLSA-N 298.386 3.885 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccc2c(c1)CCC2 538334861 YDEBNHIUVYWPOC-AWEZNQCLSA-N 271.404 3.579 30 20 CHED C=C[C@@H](CC(=O)NCc1ccncc1CC)c1ccccc1 352590816 OXGGFJNPVUOBIX-HNNXBMFYSA-N 294.398 3.620 30 20 CHED C=CCOCCCSCc1ccc(C#N)c(F)c1 359144346 OFBNKOBMSYXYLL-UHFFFAOYSA-N 265.353 3.523 30 20 CHED N#CCC[C@H](NC(=O)[C@@H]1CC12CCCC2)c1ccccc1 533370244 GXBFSHBUPSVUMW-HOTGVXAUSA-N 282.387 3.728 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1ccc(F)cc1F 356473476 KEUDSVVOFHVUET-QWRGUYRKSA-N 252.308 3.507 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(C)c1ccc(C#N)cc1 533502061 QSIRYXBKMSAPEN-DZGCQCFKSA-N 270.376 3.737 30 20 CHED N#Cc1ccc(CNc2ccc(N3CCCCC3)nc2)cc1 269396567 FASAGDITWGPYPR-UHFFFAOYSA-N 292.386 3.556 30 20 CHED N#CCCCNc1ncnc2sc3ccccc3c12 440653800 WOYQXEFJNWSBFA-UHFFFAOYSA-N 268.345 3.560 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCc2nc(C)cs2)C1 617778423 GEBHQJOETPPDKX-AWEZNQCLSA-N 292.448 3.589 30 20 CHED CC[C@H](CN[C@H]1CC[C@@H](C#N)C1)Oc1cccc(Cl)c1 442844428 LREKEYQSGSBEFI-VHDGCEQUSA-N 292.810 3.779 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C=C1CCCCC1 267573340 OIIKVIWMMDIEKF-UHFFFAOYSA-N 258.296 3.526 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](C)C(=O)OC(C)(C)C 610013206 ZWDUOLGMLLRQFG-ZDUSSCGKSA-N 293.382 3.544 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1cc(C#N)ccc1F 445877709 DBFZZKREFYVQOB-ZDUSSCGKSA-N 288.288 3.764 30 20 CHED N#C[C@@H]1CC[C@@H](NCCn2ccc3cc(Cl)ccc32)C1 353864744 JGMFHKNPAMGAKK-IUODEOHRSA-N 287.794 3.577 30 20 CHED C=CCCCNC(=O)Nc1cc(Cl)cc(F)c1F 442216330 RLRDZECIZRRODL-UHFFFAOYSA-N 274.698 3.706 30 20 CHED C=CCC[C@H](NCC1(CC(=O)OC)CC1)c1ccccc1 440603153 XZSKGZDODRNQLO-INIZCTEOSA-N 287.403 3.627 30 20 CHED C=CCCC[C@@H](C)N[C@@H]1Cc2[nH]c3ccccc3c2C1 442834523 DNWYIKPBQOCLIA-KGLIPLIRSA-N 268.404 3.970 30 20 CHED N#Cc1cccc(CN2CC[C@H](Cc3ccccc3)C2)c1F 538150559 PMXCISDWHQQUGP-MRXNPFEDSA-N 294.373 3.762 30 20 CHED N#CC[C@H](CC(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 356269287 DFVGMVBVMVBHHJ-IKGGRYGDSA-N 282.387 3.617 30 20 CHED C=CCC[C@H](NCc1csc([C@@H](C)OC)n1)C1CC1 269681669 IGDJEDPORFMWNQ-RISCZKNCSA-N 280.437 3.685 30 20 CHED C=C(C)CN(C)C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 455213384 QRQPLORESGJNHD-IAGOWNOFSA-N 286.419 3.788 30 20 CHED Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCc2cc(C#N)ccc21 618693199 BLXAXTQAGNXNPZ-OAHLLOKOSA-N 293.326 3.874 30 20 CHED C=C(C)CCN[C@@H](c1ccc2nc(O)oc2c1)C(C)C 453330983 ZCFHKNIGNRCVIP-OAHLLOKOSA-N 274.364 3.786 30 20 CHED CC[C@H](NCC#Cc1ccc(F)cc1)c1ccc(OC)cc1 538141757 VBESZJSQCGQVET-IBGZPJMESA-N 297.373 3.927 30 20 CHED C=CCCCN(CCC)[C@H](C)C(=O)Nc1ccccc1 533498697 IZFLNXSZZRLCJV-OAHLLOKOSA-N 274.408 3.692 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(C#N)cc1 269650218 IELZLNASNJKBHZ-HUUCEWRRSA-N 296.395 3.695 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@@H]1C[C@H]1C(C)C 455445066 KMCFMAYRGJXCLZ-ZFWWWQNUSA-N 292.448 3.738 30 20 CHED CC[C@H](NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 611377218 BOKWYJPWYVUXTE-INIZCTEOSA-N 285.778 3.848 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)c1nc([C@@H]2CC2(C)C)no1 453073830 UHWWQAMRBTWMKY-AWEZNQCLSA-N 295.386 3.975 30 20 CHED C=CCC1(NC(=O)NCC(C)(C)CC#N)CCCCC1 459240656 QLXBEZZIVAMPOU-UHFFFAOYSA-N 277.412 3.504 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1c1c(C)cccc1C 617179922 MRAZNYPEEGSASQ-IKGGRYGDSA-N 299.414 3.558 30 20 CHED CC[C@@H](Nc1cc(C)ccn1)c1ccc(C#N)cc1 278846042 VDDNCHSLEHYDLB-OAHLLOKOSA-N 251.333 3.825 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](CC)c1cccc(OC)c1 455540902 PRUZVAQMQCKLOO-MRXNPFEDSA-N 290.407 3.754 30 20 CHED N#CC1(CN2CC=C(c3cccc(Cl)c3)CC2)CC1 360748035 UULYKZOGYLBNKG-UHFFFAOYSA-N 272.779 3.733 30 20 CHED C#CCCCC(=O)N1CC[C@H](C)C2(CCCCC2)C1 365269222 WDUIDFRJDDWVKI-HNNXBMFYSA-N 261.409 3.609 30 20 CHED C=CC(C)(C)CNC(=O)c1cnn([C@H](C)CC)c1C1CC1 452774880 MRNYWDVTDAIREC-GFCCVEGCSA-N 289.423 3.674 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NCc1ccc(CC#N)cc1 541306542 BNBWNDJUAROTMK-UHFFFAOYSA-N 295.342 3.890 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]2C2CCC2)ccc1Cl 544628724 OKAWRBYWUHJLKP-HNNXBMFYSA-N 288.778 3.616 30 20 CHED C=C(CC)CNC(=O)N[C@@H]1CCSc2ccc(F)cc21 454196489 QSHAOWBJGVLJGB-CYBMUJFWSA-N 294.395 3.628 30 20 CHED N#Cc1cccc(N2CCC[C@H]2c2ccsc2)c1[N+](=O)[O-] 450253786 FWRQPIKAJHTICW-ZDUSSCGKSA-N 299.355 3.869 30 20 CHED C#CCC1(C(=O)N2CCC3(CCC3)CC2)CCCCC1 367429637 JZEMTXUASDAJEV-UHFFFAOYSA-N 273.420 3.753 30 20 CHED CCN(C[C@H]1C[C@H]2CC[C@H]1O2)[C@@H](C)c1ccc(C#N)cc1 450290071 VYRWQQRFLREERS-OKDNKWQNSA-N 284.403 3.509 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)c(OC)cc2OC)CC1 361782653 AUEKQISMVJBJGE-UHFFFAOYSA-N 293.338 3.528 30 20 CHED C=CCCc1noc(-c2ccc(OCC3CC3)cc2)n1 453248427 REYNIMOKGQDTQA-UHFFFAOYSA-N 270.332 3.644 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCCC12CCOCC2 367086071 JLLCOPRYZIWWPN-HUUCEWRRSA-N 251.414 3.670 30 20 CHED C[C@H](CN(CCC#N)Cc1ccccn1)c1ccc(F)cc1 275778683 XENATUZOTWURPG-OAHLLOKOSA-N 297.377 3.740 30 20 CHED C=CCC(CC=C)c1nc([C@H]2Cc3ccccc32)no1 546992273 VGSVUTAWJVLEEG-HNNXBMFYSA-N 266.344 3.993 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 548286710 BTOXAEBZBFLLDT-QMTHXVAHSA-N 276.767 3.520 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1cccc(OCC)c1 628156081 AGZMZGHNXOAZPJ-UHFFFAOYSA-N 289.419 3.879 30 20 CHED C=CCC[C@H](CCC)N[C@@H](CO)Cc1ccc(C)cc1 467363668 DEMQSQJAQVBTKW-ZWKOTPCHSA-N 275.436 3.623 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](CC)c1ccccc1)OCC 270050469 QZTAOQXFCOBUFS-CVEARBPZSA-N 275.392 3.625 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC)CCc1ccccc1 624563204 AEWBFVRWDGRLQS-INIZCTEOSA-N 274.408 3.615 30 20 CHED C=C(C)CCNc1ccc(C(=O)NC(C)C)c(C)c1 288738089 ORLABHAFSKSBFQ-UHFFFAOYSA-N 260.381 3.511 30 20 CHED C=CCCCCNC(=O)N1CCc2cccc(F)c2[C@@H]1C 545321523 JHEDOEDEJKGEHH-ZDUSSCGKSA-N 290.382 3.811 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(F)ccc1F 280737687 WMPUVFMTJCSVEX-HSMVNMDESA-N 281.346 3.597 30 20 CHED N#Cc1cc(N2CCC(Cc3cccc(F)c3)CC2)ccn1 552963999 HOOREHKOJMTWRG-UHFFFAOYSA-N 295.361 3.551 30 20 CHED CCN(CC)c1ccc(NC(=O)c2cc(C#N)oc2C)cc1 280573748 LVUFBTHRFLBKNF-UHFFFAOYSA-N 297.358 3.558 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@]12CC[C@@H](C)[C@H](C)C2 639402801 CJODITSCZLBNOJ-HBUWYVDXSA-N 284.403 3.893 30 20 CHED CN(c1cnccc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 289139746 SBBJWHWRTNFOJQ-TXEJJXNPSA-N 283.297 3.511 30 20 CHED Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)ccc1F 462012567 BSPGSIURHLSBEB-GFCCVEGCSA-N 282.318 3.748 30 20 CHED Cc1ccc(-c2csc(CN(C)C[C@@H](C)C#N)n2)cc1 286174241 YXAQGHJACHBPON-ZDUSSCGKSA-N 285.416 3.710 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)NCC(C)(C)CCC#N 558491330 ZRYHKLAUFZLAHQ-LSDHHAIUSA-N 293.455 3.974 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OCC2CC2)cc1 466379182 VZMPJSHBVYPJGD-AWEZNQCLSA-N 288.391 3.952 30 20 CHED CC#CCCCC(=O)Nc1ccc(O[C@@H](C)CC)cc1 464651996 URWXXERJKGRGID-AWEZNQCLSA-N 273.376 3.996 30 20 CHED CCCc1nnc(S)n1N=CC1CCC(C(C)C)CC1 808007624 HRTBSKRKBYRGQC-UHFFFAOYSA-N 294.468 3.816 30 20 CHED C=CCCCCCCNC(=O)CSc1ccc(O)cc1 805219357 HNGNLAMWLIMWSX-UHFFFAOYSA-N 293.432 3.737 30 20 CHED N#Cc1cccc(NC(=O)/C=C\c2ccc(Cl)s2)c1 706306916 KKTIQJQXIGEPFA-ALCCZGGFSA-N 288.759 3.925 30 20 CHED C#C[C@@H](N[C@@H](C)Cc1ccccc1SC)C(C)C 809685436 UFPRENLPVHSXCG-DZGCQCFKSA-N 261.434 3.587 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 292267801 LIIBWZUSLJIBDB-BZNIZROVSA-N 284.384 3.734 30 20 CHED C=CCN1CCC(NCc2cc3c(C)cc(C)cc3[nH]2)CC1 479553445 JRFKLDNKQPEQED-UHFFFAOYSA-N 297.446 3.525 30 20 CHED Cc1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)cc1C#N 809293874 TYSDMPNDVGOXEB-UHFFFAOYSA-N 297.264 3.862 30 20 CHED CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(F)cc2)cn1 806565819 TUAXJRSPDFTARA-WTKPLQERSA-N 284.334 3.809 30 20 CHED C=CC(C)(C)C(=O)N1CCS[C@@H](c2ccccc2)C1 648966388 OOCAIZIDXCZPHM-CQSZACIVSA-N 275.417 3.515 30 20 CHED CC(C)(C)CC1=NN/C(=N/Cc2ccc(F)cc2)SC1 806548310 CAPJZXJUPSRWMI-UHFFFAOYSA-N 293.411 3.810 30 20 CHED CCC[C@H](C#N)NC(=O)c1cscc1-c1ccccc1 568823469 DNPCWBZTMPGNGE-CYBMUJFWSA-N 284.384 3.837 30 20 CHED Cc1oc(C#N)cc1C(=O)OCCc1ccccc1Cl 805554854 XKBIUMCEKRRBNU-UHFFFAOYSA-N 289.718 3.513 30 20 CHED COC(=O)c1c(F)cccc1NN=C[C@H]1CCCC[C@@H]1C 800818007 CHABYBPDFCPAOE-NWDGAFQWSA-N 292.354 3.836 30 20 CHED C=CCC(CC=C)c1nc(-c2cn(C)nc2C(C)C)no1 292902765 CDKFJGMDTVGITB-UHFFFAOYSA-N 286.379 3.829 30 20 CHED Oc1ccc(Cl)cc1/C=N\[C@H]1CCCC12CCOCC2 800722156 XGNXNAPHXGWYPB-GZQZNAIASA-N 293.794 3.814 30 20 CHED N#Cc1ncccc1NC[C@H]1CCCO[C@H]1c1ccccc1 290624924 LVUBPJDROATBQZ-QAPCUYQASA-N 293.370 3.533 30 20 CHED C#C[C@@H](NCc1cc(F)cc2cccnc12)C(C)(C)C 809781377 PNEFAYIWGBVCGB-OAHLLOKOSA-N 270.351 3.511 30 20 CHED Cc1cccc2c1OC[C@H](N[C@@H](C)c1cccc(C#N)c1)C2 568920795 VRDCXLNDHBYANU-KBXCAEBGSA-N 292.382 3.521 30 20 CHED C=CCCCCCCN[C@H](C(=O)N(C)C)c1ccccc1 806620056 NKQFETRCRIDMJZ-KRWDZBQOSA-N 288.435 3.542 30 20 CHED N#Cc1ccc(CNCc2cc(C3CC3)ccc2F)s1 295021642 CHOBCKVBUKPKHU-UHFFFAOYSA-N 286.375 3.926 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 560535163 WALGLMPQNQRXQV-QGZVFWFLSA-N 286.375 3.794 30 20 CHED C=CCCNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 657583950 UTIIEFZSNMTCDF-UHFFFAOYSA-N 295.308 3.557 30 20 CHED C=CCCCOc1cc(C=O)cc(C(F)(F)F)c1 810029557 FSLUXEAVLREYPG-UHFFFAOYSA-N 258.239 3.863 30 20 CHED C=CC(C)(C)C(=O)NC[C@H](C)Cc1ccc(OCC)cc1 654613489 BTDOYDXOHGQJAK-CQSZACIVSA-N 289.419 3.592 30 20 CHED Fc1ccc(CC=NOC/C=C/Cl)c(Cl)c1 811668582 HSRVEHQGHGKZQU-ALWIQFKTSA-N 262.111 3.777 30 20 CHED C=CCOc1ccc(CN(CC=C)CCOC)cc1Cl 483435942 YCHIRLWYKUUWGB-UHFFFAOYSA-N 295.810 3.539 30 20 CHED Cc1cc(Cl)cc(C=NN[C@H]2CCOC(C)(C)C2)c1 814910389 UHQGCGNQGYTUKQ-AWEZNQCLSA-N 280.799 3.530 30 20 CHED C#CC[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 811824430 WVSBADJHUSQCAA-MRXNPFEDSA-N 291.310 3.643 30 20 CHED Cc1sccc1C=NNc1ccc(F)cc1F 814686306 AFZYFYXAYCLSAE-UHFFFAOYSA-N 252.289 3.781 30 20 CHED C#C[C@H](CC)NC(=O)c1oc2ccc(Cl)cc2c1C 700592767 NBWADUYDMBXEBF-LLVKDONJSA-N 275.735 3.536 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1 488846812 VHELTVLOJLFOTK-CQSZACIVSA-N 293.794 3.676 30 20 CHED C=CCN(C(=O)c1nsc2ccc(C)cc12)C(C)C 815398390 GJUPAJJOMKUMKC-UHFFFAOYSA-N 274.389 3.641 30 20 CHED CC1(C)CC(=NNc2ncnc3sc4c(c23)CCC4)C1 814725947 GWEDIOALCYGDJA-UHFFFAOYSA-N 286.404 3.768 30 20 CHED C[C@H]1C[C@H](C(=O)O)CCC1=NNc1c(F)cccc1Cl 814904873 CIMBNZVHFXGPSW-DTWKUNHWSA-N 298.745 3.768 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)[C@H](C)c1ccccc1 487800471 QZNDPQLDLGAARH-RYUDHWBXSA-N 284.384 3.542 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H](F)C(F)(F)F 811496317 VJXZHVXCKNVTPE-LLVKDONJSA-N 275.245 3.644 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1cscc1Cl 811666269 BFYZZTOFRRUUBN-NSHDSACASA-N 294.807 3.793 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccccc1COC(C)C 576863299 KEYHJIMBRSVCMX-UHFFFAOYSA-N 289.419 3.830 30 20 CHED C(=NNC[C@@H]1CCSC1)c1ccc2ccccc2c1 811661078 DMDRVLTVYVWWAJ-AWEZNQCLSA-N 270.401 3.516 30 20 CHED C=CCN=c1[nH]nc(S[C@H](C)c2ccccc2C)s1 487213112 XFJVFWLKWKTHQC-LLVKDONJSA-N 291.445 3.720 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)c2ccccc2n1 488846006 ZTKACOLHVXNYTA-AWEZNQCLSA-N 280.371 3.724 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccccc2C)CCC1 650383545 REEYHAMKJRADAY-JKSUJKDBSA-N 269.388 3.714 30 20 CHED Cc1[nH]c2ccccc2c1C=Nn1cnc2ccccc21 725847593 GICFPMPVDMEGMA-UHFFFAOYSA-N 274.327 3.708 30 20 CHED CC(CSC(C)(C)C)=NNc1cnc2ccccc2n1 729638840 IAAQEAVEKZPHJC-UHFFFAOYSA-N 288.420 3.949 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1 497755048 GSVJYHBNCHZXCT-UHFFFAOYSA-N 285.318 3.951 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)NCC(C)(C)CC#N 823519426 NRVCMOMTMNMHJC-INIZCTEOSA-N 286.419 3.620 30 20 CHED C=C(C)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1 490080737 QGMJWVKLZCIDNV-UHFFFAOYSA-N 289.419 3.835 30 20 CHED CCCCCCCOC(=O)[C@H]1CCc2cccnc21 820777532 BOELWMSPJDSNAQ-AWEZNQCLSA-N 261.365 3.625 30 20 CHED CC(C)(NCc1ccc(C#N)cc1)c1ccccc1F 492314234 SAUSDYNUYBOXKA-UHFFFAOYSA-N 268.335 3.722 30 20 CHED C[C@@H](OC(=O)c1cnc(C2CC2)s1)c1cccc(C#N)c1 729904797 NRRWZJROPYBRFP-SNVBAGLBSA-N 298.367 3.810 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC1(C)C 491215622 DDURKKGAUPYNMM-MRXNPFEDSA-N 299.418 3.524 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1ccc(F)c(Cl)c1 494902085 CGDIALYPHYFYJV-LBPRGKRZSA-N 296.773 3.729 30 20 CHED C=CCC(C)(C)C(=O)OCCCCC1(C#N)CCC1 909340917 GZXKUBOZTVFLFM-UHFFFAOYSA-N 263.381 3.996 30 20 CHED CC(C)CN(C(=O)CSC(F)F)c1ccc(C#N)cc1 822849650 FZCGHLDPLIMNQQ-UHFFFAOYSA-N 298.358 3.503 30 20 CHED CC(C)C[C@H]1CCCCN1CCCC1(C#N)CCOCC1 499560991 HIWKGWYSEVUHLS-QGZVFWFLSA-N 292.467 3.988 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)CC(C)C 822809153 QCHBYXMYJWYXEC-GJZGRUSLSA-N 264.413 3.601 30 20 CHED Fc1cc(F)cc(NN=Cc2cccc(F)c2F)c1 730728094 KIJGWNVWTMSTFZ-UHFFFAOYSA-N 268.213 3.689 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccccn1)C1CC1)CC2 903334487 AOIZZAZKDYBFLR-PKOBYXMFSA-N 289.382 3.681 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)CCCCCC#N 588161301 BVBVFRRVURQFQU-CYBMUJFWSA-N 250.386 3.545 30 20 CHED CC[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1 902994179 MAMDLOTYTFMPLU-KGLIPLIRSA-N 282.309 3.940 30 20 CHED C=CCC[C@H](NC(=O)Nc1ccn(CC)n1)c1ccccc1 667706738 HPZARJPKBHOOPN-HNNXBMFYSA-N 298.390 3.732 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(CCC#N)CC1 582603310 UKWYEWIPQBTHIG-KGLIPLIRSA-N 279.428 3.536 30 20 CHED COCC[C@@H]1CCCC1=NNc1cc(F)ccc1F 901321130 ULJGAAWQDAPZJX-JTQLQIEISA-N 268.307 3.569 30 20 CHED CSc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1F 588523917 GLUSDFPLAGPIKV-DJWKRKHSSA-N 291.322 3.978 30 20 CHED Cc1cc(-c2ccsc2C#N)ccc1N1CCCC1=O 904895459 PGYAKVOOUGIAQC-UHFFFAOYSA-N 282.368 3.722 30 20 CHED C#CCN(C(=O)Nc1ccc(CSCC)cc1)C1CC1 491681398 MUKBNJXDSYFMCD-UHFFFAOYSA-N 288.416 3.569 30 20 CHED CC[C@@H](C)[C@@H](C)NCc1cc(C#N)ccc1Br 491598432 GSPZRBYOOHXIND-GHMZBOCLSA-N 295.224 3.845 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)O)c(C)cc1C 909512417 DMJILKYLRDLROG-MRXNPFEDSA-N 275.348 3.542 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1nc(C)c(C)[nH]1)C2=O 901489392 KKZUFSSYAHMQQU-ZROIWOOFSA-N 280.371 3.856 30 20 CHED N#Cc1cnc(/C=C/c2ccccc2OC2CCCC2)cn1 905080627 IOZGGURBVWPCDS-MDZDMXLPSA-N 291.354 3.840 30 20 CHED Cc1ccccc1[C@@H](Nc1ccnc(C#N)n1)C(C)(C)C 583641297 LQDCIUMAFFWOMJ-MRXNPFEDSA-N 280.375 3.856 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(F)cc2Cl)C1 839043988 OIEWEHGLDZLEQB-GXSJLCMTSA-N 281.714 3.718 30 20 CHED N#CCc1ccc(C(=O)OC[C@H]2CCCCC2(F)F)cc1 837600112 BUYXFDYNXBQYNN-CQSZACIVSA-N 293.313 3.735 30 20 CHED Cc1cccc([C@H](C)C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 839057511 YBZVOBXLXLFJMY-SQWLQELKSA-N 271.360 3.724 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1nc2ccccc2s1 834996864 WXUSFJKFBWZBQY-MRVPVSSYSA-N 287.310 3.561 30 20 CHED C=C[C@@H](CC(=O)NCc1ccoc1C)c1ccccc1 677522736 XNMLCNBMSBYYOL-AWEZNQCLSA-N 269.344 3.564 30 20 CHED COc1cccc(NN=C(C)c2cnn(CC3CCC3)c2)c1 901159836 UENLZZUGSPNESM-UHFFFAOYSA-N 298.390 3.528 30 20 CHED CC(C)(C)C#CC(=O)Nc1cc(Cl)cc(Cl)c1O 837507789 OYNJBBLTGZZNGA-UHFFFAOYSA-N 286.158 3.687 30 20 CHED C[C@@H](NN=C1CCC[C@@H]1Cc1ccccc1)C(F)(F)F 835000686 LUPRREFTTAYUSX-DGCLKSJQSA-N 284.325 3.926 30 20 CHED C#CCC1(C(=O)NCCC2CC(F)(F)C2)CCCCC1 837221438 VGCCCESMLYAHGT-UHFFFAOYSA-N 283.362 3.512 30 20 CHED C=CCSc1ccccc1C(=O)O[C@@H]1CCOC[C@@H]1C 835772673 MGRSZUJQLYKPOW-GXTWGEPZSA-N 292.400 3.547 30 20 CHED C[C@H]1CN(c2ccnc(C#N)c2)CC[C@H]1c1ccccc1 587985902 AZVOGWWGSBJDFO-KBXCAEBGSA-N 277.371 3.583 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CCC[C@@H](O)C1 737792676 QMINQRSXVJHSSP-IVOILVROSA-N 281.440 3.667 30 20 CHED C=CC[C@H](NC(=O)c1ccc(SC)cc1)c1ccncc1 734455577 IALMRDVKYVBJNI-INIZCTEOSA-N 298.411 3.851 30 20 CHED N#CCCCOc1cccc(NC[C@@H]2CC2(Cl)Cl)c1 917820975 PWFXPTNPTOKVRU-NSHDSACASA-N 299.201 3.975 30 20 CHED CON=Cc1ccc(C(=O)N[C@H](C)CCC=C(C)C)cc1 836792808 SWAHQUYKRBCXEY-CQSZACIVSA-N 288.391 3.532 30 20 CHED Cc1cc(C)c(C=NNc2ccc(C#N)cc2)cc1C 915962099 NAOOZMQZRBSQGX-UHFFFAOYSA-N 263.344 3.930 30 20 CHED C#C[C@@H](NC(=O)N1CCCC[C@H]1c1ccccc1)C(C)C 838598778 VKRROKUSPXIYQT-SJORKVTESA-N 284.403 3.581 30 20 CHED CC(CCCc1cccnc1)=NNc1ccc(C)cn1 834954823 VPLLFBVAFRAABC-UHFFFAOYSA-N 268.364 3.596 30 20 CHED C[C@H](Nc1ncc2c(c1C#N)CCC2)c1cc(F)ccc1F 591817803 FJCSJJQPXDSAJA-JTQLQIEISA-N 299.324 3.893 30 20 CHED FC(F)(F)c1cnc(NN=Cc2ccc[nH]2)c(Cl)c1 916286494 INLRSZHKFJWSLF-UHFFFAOYSA-N 288.660 3.528 30 20 CHED CC(C)CC(=O)Nc1cc2ccccc2cc1C#N 839436469 YGCYDVXBQFLFFO-UHFFFAOYSA-N 252.317 3.696 30 20 CHED C=C(C)COC(=O)COc1ccc(-c2ccccc2)cc1 916586822 DNDHNHCJHKVVBH-UHFFFAOYSA-N 282.339 3.852 30 20 CHED N#Cc1ccc(CN[C@]23CCC[C@H]2C3)c(C(F)(F)F)c1 597178876 QLXCBXKETFPISH-JSGCOSHPSA-N 280.293 3.609 30 20 CHED CCc1cccc2c(C=NNc3nc(C)cc(C)n3)c[nH]c12 916242056 YLQGWVXUEFYGOB-UHFFFAOYSA-N 293.374 3.583 30 20 CHED CCOc1cccc(C=NNc2ccc(F)cc2F)c1 915933911 MAKZTXNSJVZQRF-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)[C@@H]1C[C@H]1c1cccs1 841629178 IVMKKKOFDVFSNA-WDEREUQCSA-N 291.807 3.810 30 20 CHED CCCC(=NNc1nc(-c2ccncc2)no1)[C@H]1CC1(C)C 841625037 RPOMJZBIANUPDA-GFCCVEGCSA-N 299.378 3.746 30 20 CHED CC[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)C(C)C 593703425 UXROMLBOJHXJFO-IBGZPJMESA-N 299.462 3.547 30 20 CHED Clc1ccc(-c2ccc(C=NNc3ncccn3)o2)cc1 912974046 IAQRZXYGAKUTLZ-UHFFFAOYSA-N 298.733 3.836 30 20 CHED COCCOc1ccc(-c2ccccc2C2(C#N)CC2)cc1 592983741 IWNWIICQOZLNMF-UHFFFAOYSA-N 293.366 3.934 30 20 CHED N#C[C@H](COC(=O)/C=C\C1CCCC1)Cc1cccs1 842745963 IOIDWTWHHLXEGT-WBTMPAOCSA-N 289.400 3.720 30 20 CHED Cc1c(Cl)cnc(N2CCC3(CC2)CC3(F)F)c1C#N 593498534 LNGAJMQFKKAEEN-UHFFFAOYSA-N 297.736 3.541 30 20 CHED C[C@@H](/N=C\c1ccccc1O)c1cccc(-n2cccn2)c1 745977226 RPRLDIQZCOBVOD-RMENWYJGSA-N 291.354 3.758 30 20 CHED CCCCCCCC(=O)Nc1nc(C)ccc1OC 746652987 PHCFXMBFWNVEGF-UHFFFAOYSA-N 264.369 3.698 30 20 CHED CCCCOC(=O)[C@H](C)Sc1ccc(C#N)cc1F 742454518 VDLJFJHQVZQSPR-JTQLQIEISA-N 281.352 3.521 30 20 CHED N#CC[C@H]1CCCN(C/C=C/c2ccc(Cl)cc2)C1 595623472 QXVFVEDINJPIKR-BQTXGFLSSA-N 274.795 3.979 30 20 CHED C=C(Cl)CNc1cccc(OCC(F)(F)F)c1 849312855 LNYPARVSAVMDRH-UHFFFAOYSA-N 265.662 3.792 30 20 CHED C=CCCCC(=O)O[C@@H](CC)C(=O)c1ccc(OC)cc1 748236633 XLBBBPOFZAVBCN-HNNXBMFYSA-N 290.359 3.556 30 20 CHED C(=NNCCCc1ccccc1)c1nccc2ccccc12 740761869 OUSABJTUTCLQGU-UHFFFAOYSA-N 289.382 3.791 30 20 CHED CC(C)Oc1cccc(NC(=O)CCCCCC#N)c1 590773524 OIPYHFGXJHNFNR-UHFFFAOYSA-N 274.364 3.886 30 20 CHED C[C@@H](CNC(=O)CC1(C#N)CCCCC1)c1ccccc1 596659500 KIMXVYVZYRZQPZ-HNNXBMFYSA-N 284.403 3.770 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNC(=S)Nc1cccnc1 748243760 CWCCJDHZPRPEPY-LLVKDONJSA-N 290.436 3.570 30 20 CHED CCC(=NNc1nc(-c2ccccc2)no1)[C@@H]1C[C@@H]1C 841625286 SDPPLLQIJJINRG-CMPLNLGQSA-N 270.336 3.571 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H]1CC[C@@H](CN)C1 842010805 OHFSPJPFLNBSHA-CVEARBPZSA-N 297.487 3.506 30 20 CHED C=C(C)CON=C(CC1CCCCC1)c1ncccn1 844617593 OWXFZDMSLXUJMM-UHFFFAOYSA-N 273.380 3.744 30 20 CHED C=C(C)CNC(=S)N(CC1CC1)c1ccc(CC)cc1 840805391 UAKPRBUEBRLHMH-UHFFFAOYSA-N 288.460 3.916 30 20 CHED Oc1ccc(C=NNc2cccc(Br)c2)cc1 745988515 ZQRLPNTUMSOXMW-UHFFFAOYSA-N 291.148 3.601 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccccc1O[C@H](C)C#N 926118109 YLLDZIUGFBCLLO-QWHCGFSZSA-N 271.364 3.718 30 20 CHED CC[C@H](C)NN=Cc1cn(-c2ccccc2Cl)nc1C 848409578 ZAORRGXXWUKCMG-NSHDSACASA-N 290.798 3.556 30 20 CHED CO[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1O)C1CC1 840707875 YXVKFYDALHBONO-CBIOAZOESA-N 288.174 3.543 30 20 CHED C=C(C)C(C)(C)C(=O)NCCC[C@@H]1CC1(Cl)Cl 844958011 JASOOZBMTYMCIC-SNVBAGLBSA-N 278.223 3.679 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C\c1ccccc1 759610498 LYAGDFVVDAYLOF-FLIBITNWSA-N 269.319 3.788 30 20 CHED Fc1ccc(F)c(CNN=Cc2cccc3[nH]ccc23)c1 755650963 PLFNHQKMVILBKI-UHFFFAOYSA-N 285.297 3.570 30 20 CHED C/C(=C/C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cccs1 857033633 ZGZRKEWPMRFQLF-FUTHCOOYSA-N 275.373 3.777 30 20 CHED CCOc1ccccc1OC(=O)CC1(C#N)CCCCC1 850745308 MSDPVKXHYIQNPJ-UHFFFAOYSA-N 287.359 3.855 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C2/CC[C@@H](C)C2)s1 753640052 KFNQRQLWMJWENQ-PAKSIRSJSA-N 274.389 3.867 30 20 CHED C=CCNC(=S)N1CCCSc2ccc(Cl)cc21 751037918 WUFQKRZYBHJPDQ-UHFFFAOYSA-N 298.864 3.703 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](C)c2ccco2)CCCC1(C)C 683457602 BELRAXUKFXVDAA-UKRRQHHQSA-N 275.392 3.976 30 20 CHED COc1ccc(CC[C@H](C)N[C@H](C)CC(C)(C)C#N)cc1 924855812 SXCQWGUKNKRMFV-LSDHHAIUSA-N 288.435 3.934 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccc(OC)cc1)c1ccccc1 756921381 JJTSWTSXTHUSPT-QGZVFWFLSA-N 294.354 3.581 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H]1C(C)(C)O 758317756 OGLASSGNTJNAFC-HNNXBMFYSA-N 298.471 3.682 30 20 CHED Cc1cc(C(=O)/C=C/c2nc(C(C)C)n3ccccc23)no1 752877415 NSLDTWUCXCEPEE-BQYQJAHWSA-N 295.342 3.650 30 20 CHED CCCCCCCCCCN1C(=O)NC2(CCC2)C1=O 750960123 KADKXINNXCCEHU-UHFFFAOYSA-N 280.412 3.602 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1c[nH]c2ccc(Cl)cc12 756000618 KWSRVFLJQIEQSK-SNVBAGLBSA-N 277.751 3.872 30 20 CHED C=C[C@H](OC(=O)CSCC(F)(F)F)c1ccccc1 851452262 QADSAVCPBABTFG-NSHDSACASA-N 290.306 3.752 30 20 CHED C#CCCCC(=O)N(C)C1CCC(C(C)(C)C)CC1 757968295 NYAMHFOEKDGYAQ-UHFFFAOYSA-N 263.425 3.853 30 20 CHED C=CCCc1noc(C(F)(F)c2cnc(Cl)c(C)c2)n1 924084415 RCFSUORIQDMJBV-UHFFFAOYSA-N 299.708 3.685 30 20 CHED Cc1nc(-c2cc(Cl)cc(Cl)c2)nc(C#N)c1C 1898208376 ROTBRUWCVBWWNI-UHFFFAOYSA-N 278.142 3.939 30 20 CHED C#CC[C@@H](N[C@@H](C)c1nc(C)cs1)c1ccccc1 858383647 ZTFVDSWIXDGXOT-DZGCQCFKSA-N 270.401 3.867 30 20 CHED C[C@H]1C[C@H]1C=NNc1c(F)cc(F)cc1Br 758378991 SWIZDGLGSYIAMM-BQBZGAKWSA-N 289.123 3.781 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)OCc2cccc(C#N)c2)C1 750248228 MXTBJNLHWHHWFA-KGLIPLIRSA-N 271.360 3.818 30 20 CHED C[C@H](CC=NN=c1cc[nH]cc1Cl)c1ccccc1 755765684 ITUJZCFMWCBCON-GFCCVEGCSA-N 273.767 3.748 30 20 CHED C#C[C@](C)(CC)NCc1coc(-c2c(F)cccc2F)n1 852102456 YRUCOGGZFNYGNB-MRXNPFEDSA-N 290.313 3.511 30 20 CHED CCCn1nccc1/C=C1/COc2c(CC)cccc2C1=O 853007752 DDTXCDZJVBLRAS-KAMYIIQDSA-N 296.370 3.514 30 20 CHED N#CCC1(COc2cc(C=O)cc(C(F)(F)F)c2)CC1 853703880 PIOJCQGCUTXCLO-UHFFFAOYSA-N 283.249 3.591 30 20 CHED C=CCCOCC(=O)OCc1c(Cl)oc2ccccc12 856928044 DSLCLEXMDNWLQX-UHFFFAOYSA-N 294.734 3.722 30 20 CHED C#Cc1ccc(NC(=O)Nc2cnn([C@@H](C)CC)c2C)cc1 934927574 DDOGPDHORPZOEU-LBPRGKRZSA-N 296.374 3.788 30 20 CHED Clc1ccccc1CNN=Cc1c[nH]c2ccccc12 864029016 UDHHPQAUYSZBFM-UHFFFAOYSA-N 283.762 3.945 30 20 CHED C=CCN(C(=O)Nc1ccccc1CSC)C(C)C 760076307 RQGOGIDSWBPHJO-UHFFFAOYSA-N 278.421 3.978 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1sccc1OC 769744974 SSGUBDPDPQRULX-AATRIKPKSA-N 288.368 3.970 30 20 CHED C#CCCc1noc(C[C@@H](CC)c2ccc(C)cc2)n1 762010897 DDIUNKSLSPCAOV-CQSZACIVSA-N 268.360 3.680 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2cc(C#N)ccc2F)C1 862587324 MMAMBJGCXGLOAQ-UHFFFAOYSA-N 288.366 3.738 30 20 CHED C=C(C)C[C@@H](NCc1ccc(C2CCCC2)cc1)C(=O)O 864529638 KQHDOCUGRGBCJI-QGZVFWFLSA-N 287.403 3.853 30 20 CHED C#CC[C@@H](NC(=O)N[C@@H]1CCC(C)(C)C1)c1ccccc1 768741667 PYQMLCNOQIZIAP-HZPDHXFCSA-N 284.403 3.629 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CC[C@H]2c2ccccc2)c1 769764032 VNCXPNRTKKOFFB-HNNXBMFYSA-N 281.315 3.940 30 20 CHED C=C[C@H](OC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C)c1ccccc1 860883480 TZQXJKJUEOYVNZ-AKIOZOGOSA-N 274.360 3.516 30 20 CHED CCC(C)(CC)C(=O)OCc1cc(C#N)ccc1F 767102022 HDUOYEUPLBLUGR-UHFFFAOYSA-N 263.312 3.567 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(Cl)ccc1O 768392068 HFOKAMRRZQBHPP-UHFFFAOYSA-N 295.766 3.922 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 860825453 INMKEDDEYLADAO-UXLLHSPISA-N 285.387 3.799 30 20 CHED CCC[C@H]1C[C@@H](C(=O)OCCCCC(C)(C)C#N)CCO1 768843669 AGBRMJWUDCPALA-GJZGRUSLSA-N 295.423 3.845 30 20 CHED CC(=NNc1c(F)cccc1Cl)[C@@H]1CCCOC1 769826256 CIPDTMXNUYRSHS-SNVBAGLBSA-N 270.735 3.694 30 20 CHED O=C(/C=C/c1nc2ccc(F)cc2s1)c1ccco1 761481272 WVDCLIFCDRXJTE-AATRIKPKSA-N 273.288 3.925 30 20 CHED CCc1nc2ccccc2n1N=Cc1cnc(C2CC2)s1 761803383 AMOOLGZIAIGXBX-UHFFFAOYSA-N 296.399 3.815 30 20 CHED COC(=O)c1occc1/C=C1/C(=O)c2cccc(C)c2[C@H]1C 766696337 QTAOWPXQNKBKGS-LUHPIMIVSA-N 296.322 3.758 30 20 CHED C[C@@H]1CCC(=NNc2ccc(C(F)(F)F)nn2)C[C@H]1C 767386855 FBRVNBWMFSDUGV-RKDXNWHRSA-N 286.301 3.719 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNc1cncc(Cl)n1 769569737 IFVMGOYWCMVFNV-NXEZZACHSA-N 266.776 3.744 30 20 CHED CSc1ccc(CCNc2cccc(CC#N)n2)cc1 1116888901 VWPMHGHHNVPXNX-UHFFFAOYSA-N 283.400 3.524 30 20 CHED CCC[C@H](CC)C(=O)N(CC#N)c1ccc(F)cc1C 875982217 PHGBWFXTSJYGLP-ZDUSSCGKSA-N 276.355 3.817 30 20 CHED C[C@@H](NCc1ccc(F)cc1C#N)c1ccc(N(C)C)cc1 775833177 HINMTTKECQFHGH-CYBMUJFWSA-N 297.377 3.614 30 20 CHED CCC(C)(C)C1CCC(NC(=O)C(C)(C)C#N)CC1 55040058 CDRWMKNNDDCOPG-UHFFFAOYSA-N 264.413 3.647 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccc([N+](=O)[O-])cc1 776844827 YRXHLICLPHGHDB-UHFFFAOYSA-N 296.330 3.510 30 20 CHED O=C1C/C(=C/C=C/c2ccccc2)C(=O)c2ccccc2N1 774140266 HNFDNMQDXJSQRS-ZLRVCTSNSA-N 289.334 3.851 30 20 CHED C#CC[C@H](NCc1cccc(C)c1O)c1ccccc1 776251925 CYQFOWWPZJDJLN-KRWDZBQOSA-N 265.356 3.555 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](CC=C)c1ccncc1 776044739 LNLRHWLOPUSQNO-HOCLYGCPSA-N 287.407 3.743 30 20 CHED COC(=O)c1cccc(CSCc2cccc(C#N)c2)c1 58238755 OIEGESSKYQXSFT-UHFFFAOYSA-N 297.379 3.778 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@](C)(OC)CC1 875764152 BMZPYVXOKHBIFR-MRXNPFEDSA-N 284.444 3.557 30 20 CHED Cc1cc(C)c(NN=Cc2cccc3nccn23)c(C)c1 771098911 AFZSIRURICDXSX-UHFFFAOYSA-N 278.359 3.706 30 20 CHED C=CCCOC(=O)c1c[nH]nc1-c1ccc(Cl)s1 778610551 YPTIZWDXZOKOFY-UHFFFAOYSA-N 282.752 3.525 30 20 CHED N#Cc1csc(/C=C/c2ccc(N3CCCC3)cc2)n1 1119597094 HFMYISWZARFJKG-VMPITWQZSA-N 281.384 3.785 30 20 CHED CC/C(C)=C(\C)C(=O)N(CCC#N)CC(C)(C)C 779932001 VEKNLRLSFKTDTP-OUKQBFOZSA-N 250.386 3.521 30 20 CHED C#CCCCCC(=O)N1CCCc2cccc(CC)c21 775612449 BDBATBYCJSIWRQ-UHFFFAOYSA-N 269.388 3.722 30 20 CHED C#CCCCCNC(=O)c1ccc(C(C)C)c(Cl)c1 786200838 YARVIECZJFIZGJ-UHFFFAOYSA-N 277.795 3.997 30 20 CHED CCC(COC)=NNc1ccc(Br)cc1CC 783872461 ZMFJSYJGJVOROI-UHFFFAOYSA-N 299.212 3.836 30 20 CHED CC[C@H]1CC[C@H](C(=O)OCCC(C)(C)C#N)CC1 782399276 BUPCTKSFBIJKSD-JOCQHMNTSA-N 251.370 3.686 30 20 CHED CC1(C)C[C@H](NN=C2CCCCCCC2)CCO1 780241364 OQNIMBKWZOXIHU-CQSZACIVSA-N 252.402 3.634 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@H]1CNc2ccccc21 1122374348 NDXDPYVUYRMNQV-GJZGRUSLSA-N 284.403 3.543 30 20 CHED Clc1cccc(C2CC(=NOC[C@H]3CCOC3)C2)c1 788035943 CQDRFVRQFRMOSX-AMGKYWFPSA-N 279.767 3.627 30 20 CHED CC[C@H](OC(=O)c1cccc(C#N)c1C)c1ccc(F)cn1 1122867641 IOWHZLLGURZKJG-INIZCTEOSA-N 298.317 3.709 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1cc(C#N)cs1 890613322 XWUMQPHLAQAWBL-AWEZNQCLSA-N 282.368 3.727 30 20 CHED Cn1cc(C=NNCCC(C)(C)C)c2ccccc21 782908318 UNXHLGNQMDMOSM-UHFFFAOYSA-N 257.381 3.538 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NN[C@H]2C[C@H]3CC[C@H]2C3)C1 783522245 LVULLANPWTYFMR-KQXIARHKSA-N 274.330 3.873 30 20 CHED CC(F)(F)c1ccc(C(=O)N[C@@H](C#N)C2CCCC2)cc1 893709940 QFRAOLWJIWRYKT-AWEZNQCLSA-N 292.329 3.610 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](C(=O)OC)[C@H]1C 787512317 JQEWZUBDEOWYBX-CABCVRRESA-N 297.439 3.537 30 20 CHED N#CCOc1ccc(CN2CC[C@H](C3CCCCC3)C2)cc1 1137120313 CVHCZVDBXJJPNZ-SFHVURJKSA-N 298.430 3.991 30 20 CHED Fc1ccc(NN=Cc2nccn2-c2ccccc2)c(F)c1 790136887 XWDBWQVFINUXGT-UHFFFAOYSA-N 298.296 3.597 30 20 CHED COCCCCCN(Cc1ccc(C#N)cc1)C(C)C 103227261 DCINCOXZXZSGFM-UHFFFAOYSA-N 274.408 3.585 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2F)CC1(C)C 546124440 DMJGJCQGONIETA-GFCCVEGCSA-N 260.356 3.565 30 20 CHED CC1(C)CCCN(C(=O)c2cccc(F)c2Cl)[C@H]1C#N 277919163 MYKYNDSKWQGVCX-LBPRGKRZSA-N 294.757 3.633 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1c(C)nn(C(C)C)c1C 793111512 IIGXXAPVLZHROD-CQSZACIVSA-N 278.444 3.829 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(C)c1ccc2ccccc2c1 1136085886 TXEZFFCIGQCBQD-UHFFFAOYSA-N 289.338 3.625 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1cccc(C)c1F 1132802738 SWTZSMJOHCBUPD-UHFFFAOYSA-N 288.347 3.734 30 20 CHED CC[C@@H](C)CON=CCCc1ccc2c(c1)CCO2 793164099 RZTNYNNXJVTOGL-CYBMUJFWSA-N 261.365 3.603 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C#N)cc1CC 799440878 NUZYGTYXCLZCGD-INIZCTEOSA-N 257.333 3.628 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 829179365 LWLDLOVIEDPOGI-JFIYKMOQSA-N 299.462 3.567 30 20 CHED N#Cc1ccc(N2CCCC(F)(F)CC2)cc1Cl 599134166 RHTOVMGWBLSODW-UHFFFAOYSA-N 270.710 3.837 30 20 CHED CN(CC1CCCC1)c1nc(C(F)(F)F)ccc1C#N 78835244 SLXLWKGDHAUSFD-UHFFFAOYSA-N 283.297 3.598 30 20 CHED CCCCCCCCC(=O)N1CCCO[C@@H](CC)C1 798749899 PEOMQYGDAKYYLO-HNNXBMFYSA-N 269.429 3.765 30 20 CHED CCc1cccc(C)c1NN=Cc1cnc([C@@H](C)O)s1 799496030 ZGEWQMHCNCTZKA-LLVKDONJSA-N 289.404 3.513 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1cccc(F)c1F 794947314 WNCDSAYNYSATQR-SREVYHEPSA-N 276.286 3.638 30 20 CHED CCCCCCCOC(=O)c1ncccc1Cl 796566924 NNKPETOABHJCMY-UHFFFAOYSA-N 255.745 3.862 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccc2[nH]c(C)cc2c1 794689833 UAKXTKXFWDVZPR-ODLFYWEKSA-N 294.354 3.810 30 20 CHED C[C@H]1CC(NCc2cccc(OCC#N)c2)C[C@H](C)C1 84972856 OHKHLFFJFXARHZ-ZIAGYGMSSA-N 272.392 3.503 30 20 CHED C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C 90824971 BEFDHRYZAQLGLL-UWVGGRQHSA-N 268.282 3.669 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccn1C(F)F 1308830238 ROHYJFKPQCRRQA-LBPRGKRZSA-N 289.329 3.948 30 20 CHED Cc1ccc(C#N)c(N2CCc3ccc(C(C)C)cc3C2)n1 1307162508 NVMMJAMDUIZIBU-UHFFFAOYSA-N 291.398 3.948 30 20 CHED C[C@@H](CCC#N)CN1CC2(CCC2)c2ccccc21 1308687868 QFPUTJMMSBNPPC-AWEZNQCLSA-N 254.377 3.868 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)c2cccc(F)c2)c1 1319640353 JLYQDJHYDSFTAE-HJWRWDBZSA-N 284.286 3.508 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2ccc3c(c2)CCC3)c1 1319798820 MYECSJBRRNDNAA-UHFFFAOYSA-N 296.761 3.541 30 20 CHED C=CCCc1noc(C(C)(C)Oc2ccccc2)n1 1324601374 KBWXRSHYYKWNQI-UHFFFAOYSA-N 258.321 3.502 30 20 CHED C=C[C@H](COC)NC(=S)Nc1ccc(CCCC)cc1 1255007914 LXQWOCFJPFDANW-CQSZACIVSA-N 292.448 3.517 30 20 CHED CCn1nc(C(C)C)cc1C(=O)OCCCC(C)(C)C#N 1324778321 XGNLUCGPSPNAID-UHFFFAOYSA-N 291.395 3.513 30 20 CHED Cc1cccn2cc(CSCC3(CC#N)CC3)nc12 1333736634 LVVFPKNBFXFGQL-UHFFFAOYSA-N 271.389 3.570 30 20 CHED C[C@H]1CC[C@H](C(=O)N(c2cccc(C#N)c2)C2CCC2)C1 1331452775 JOKAYQXXSDDSAX-ZFWWWQNUSA-N 282.387 3.880 30 20 CHED CC(C)CC(CC(C)C)=NNc1nncc(N)c1Cl 1253086610 PJYSPFKFDIYUBB-UHFFFAOYSA-N 283.807 3.572 30 20 CHED Cc1cc(N(C)Cc2ccccc2Cl)ncc1C#N 1184535629 CVIYSUCUVCGACD-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C[C@@H]1CCC[C@]1(C)c1nnc(COc2ccc(C#N)cc2)o1 1330076059 ZGXXXQYHLKSWDW-PXAZEXFGSA-N 297.358 3.598 30 20 CHED Cc1cc(C#N)nc(NCC2CCC(C(C)C)CC2)n1 1185726147 GSZDIUUKAIKGRU-UHFFFAOYSA-N 272.396 3.531 30 20 CHED Cc1ccc(C)c(C=NNCc2ccc(F)cc2)c1 1253080522 WECIJESEVYXRNL-UHFFFAOYSA-N 256.324 3.566 30 20 CHED N#Cc1cccc(C#N)c1N1CCc2cc(Cl)ccc21 1334234576 QXHCIVMYYYZEKQ-UHFFFAOYSA-N 279.730 3.778 30 20 CHED CC1(C(=O)O[C@@H](CC#N)c2ccco2)CCCCC1 1263660581 KACGJGYPMYNKIJ-ZDUSSCGKSA-N 261.321 3.748 30 20 CHED C=C(C)CN(CC)c1nnc([C@H]2CCCC2(F)F)n1CC 1340949663 HERNUSDVWNRMQU-GFCCVEGCSA-N 298.381 3.603 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cccnc2N(C)C)c1 1346403785 XMOUYHJSIFFNNE-BQYQJAHWSA-N 280.371 3.661 30 20 CHED C=C(C)[C@H](C)OC(=O)c1occc1NC(=O)OC(C)(C)C 1342618936 ICAGLQVWZGMOAJ-JTQLQIEISA-N 295.335 3.748 30 20 CHED C=CCn1c(C(CC)CC)nnc1N1CCC(F)(F)CC1 1352042773 XXMUTTMTYKTSKF-UHFFFAOYSA-N 298.381 3.603 30 20 CHED Cc1ccc(C(=O)N[C@H](c2ccccc2)C(C)C)cc1C#N 1351405322 TVGHADDOIUEUBM-SFHVURJKSA-N 292.382 3.994 30 20 CHED CCCC[C@H](CCC)NC(=O)c1cc(C#N)ccc1F 1355183509 UURYHQHRQCCZIQ-ZDUSSCGKSA-N 276.355 3.786 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC 1519293100 RTXBQPONONJHJW-INIZCTEOSA-N 297.402 3.686 30 20 CHED C[C@@H](NC(=O)CCF)c1ccc(-c2cccc(C#N)c2)cc1 1296261660 BJWUCZCJJSOVRF-CYBMUJFWSA-N 296.345 3.762 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC(C)(C)CC(C)(C)C 1525654473 XQWMGNPWHVVQNE-UHFFFAOYSA-N 272.392 3.811 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)[C@@H]1CC1(C)C 1460262203 IFLXKZCXXCIKBO-HOTGVXAUSA-N 256.393 3.515 30 20 CHED N#Cc1ccc(S[C@H](C(=O)O)c2ccsc2)cc1 1608213511 OONWQWAAVTVEGT-LBPRGKRZSA-N 275.354 3.538 30 20 CHED CCN(Cc1cccc(Cl)c1)CC1(CC#N)CC1 1615175820 HOPSIBHAHQPDEW-UHFFFAOYSA-N 262.784 3.856 30 20 CHED N#Cc1ccc(SCc2ccc(C(=O)O)c(F)c2)cc1 1610631829 XUMBCEZGJIJQEQ-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C=C(Cl)CN1CCN([C@H](CC)c2ccc(F)cc2)CC1 1473771698 LUXUUZTWTVSALK-MRXNPFEDSA-N 296.817 3.647 30 20 CHED CC1(NC(=O)Nc2cc(C#N)c(F)cc2F)CCCCC1 1627092495 DYNMVXOZHHWJHL-UHFFFAOYSA-N 293.317 3.681 30 20 CHED C[C@@H](c1ccccc1)n1cc(Nc2ncccc2C#N)cn1 1640063564 MJZMKQNWQIZJLB-ZDUSSCGKSA-N 289.342 3.503 30 20 CHED Cc1cc(=NC[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C#N)c[nH]1 1642172842 UZMXCBNKZACGLK-JLJPHGGASA-N 285.435 3.804 30 20 CHED C=CC(C)(C)CCNCc1c(C(=O)O)[nH]c2ccccc12 1588677190 WVSGNMQDVJKQSK-UHFFFAOYSA-N 286.375 3.558 30 20 CHED C[C@@H]1CCCC[C@H]1CN(C)Cc1cccc(C#N)c1 1657582283 JECNNCRYRJDHGB-PBHICJAKSA-N 256.393 3.816 30 20 CHED CC[C@@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 1651340490 AQOPCCDMYYJYEK-CYBMUJFWSA-N 272.739 3.565 30 20 CHED N#Cc1ccc(OCc2ccc(C#N)s2)c(Cl)c1 1652547821 PFSOFJRFOYYSIT-UHFFFAOYSA-N 274.732 3.724 30 20 CHED CC[C@@H](CC#N)N[C@H](C)c1nccc2ccccc12 1664166438 AVCQEDHXVULXSZ-OCCSQVGLSA-N 253.349 3.578 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(F)c1 1667107929 AQWIJKPSPHBFQF-LBPRGKRZSA-N 297.333 3.922 30 20 CHED CCCC[C@@H](SCc1cc(C#N)ccc1F)C(=O)O 1595654462 CIFXGGNBXQXRIC-CYBMUJFWSA-N 281.352 3.574 30 20 CHED CC1(C)CCCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1679885171 LEXLBHUNKQWFFL-UHFFFAOYSA-N 289.354 3.741 30 20 CHED Cc1c(NN=C2CC[C@@H](C)[C@H](C)C2)cccc1C(=O)O 1776087750 UFVODCYTMYIVLK-GHMZBOCLSA-N 274.364 3.917 30 20 CHED CC(C)[C@@H]1CC[C@H](C)CC1=NNc1ccc(C(=O)O)nc1 1776069117 RBRNKXXRESNPIF-AAEUAGOBSA-N 289.379 3.640 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2cc3ccccc3o2)c1 13155838 SGKKNSMDGPUKTI-UHFFFAOYSA-N 295.269 3.801 30 20 CHED Cc1cccc([C@H](C)C(=O)N(C)c2cccc(C#N)c2)c1 150910388 DHQRKXICZMRCIC-AWEZNQCLSA-N 278.355 3.633 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)c2ccc(F)cc2)CC1 153028903 FYRJERMGRKTSNL-SFHVURJKSA-N 290.426 3.907 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CCC#N)c1ccccc1 153277639 WZICHSRPIMITGE-QGZVFWFLSA-N 282.387 3.916 30 20 CHED Cc1csc(-c2cccc(OC[C@@H](C#N)CCC#N)c2)n1 154779352 TVVRNFHVCLIFEM-CYBMUJFWSA-N 297.383 3.941 30 20 CHED CCOc1ccc(Nc2nc(C)ccc2C#N)cc1F 126497536 ZPTQCVFUDKGHCI-UHFFFAOYSA-N 271.295 3.543 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2C#N)C1 1119425915 PWJCYBYQPFIBEY-VHSXEESVSA-N 262.740 3.586 30 20 CHED CC(C)CCCN[C@H](C)c1ccc(OCC#N)cc1 38093636 MJCLAUSXWSVQIT-CQSZACIVSA-N 260.381 3.676 30 20 CHED C#C[C@@H](NC(=O)c1sccc1-c1ccccc1)C(C)C 700610015 CQMIBEZYNUVKBK-OAHLLOKOSA-N 283.396 3.803 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)c(F)c1 404114821 FLUMIJSFLSRLCH-BBRMVZONSA-N 260.356 3.756 30 20 CHED C#CCCCNc1cc(Cl)c(Cl)cc1OC 309713921 RYUGIUHOOIXPCO-UHFFFAOYSA-N 258.148 3.827 30 20 CHED N#Cc1cccc(CNC2(C(F)F)CCCCC2)c1 510094107 QAZJEEMQEQXCDB-UHFFFAOYSA-N 264.319 3.616 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 608816109 SQRXZAVVVRNAER-ZYHUDNBSSA-N 296.823 3.629 30 20 CHED C=CCOCCCN[C@H](C)c1cccc(Cl)c1 470763948 DZWOHNDAHWOLBM-GFCCVEGCSA-N 253.773 3.583 30 20 CHED C=CC[C@@H](CC)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 343511448 UDYKGTNFQLTJCD-HIFRSBDPSA-N 262.353 3.990 30 20 CHED CSC[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 386731513 AUZUBEAFQSUVOB-NSHDSACASA-N 280.824 3.791 30 20 CHED CC[C@@H](C)[C@@H](CNc1ccc(Cl)cc1C#N)OC 394456812 JODMODPAQGHUFN-QMTHXVAHSA-N 266.772 3.685 30 20 CHED CCCCCCCCOCC(=O)Nc1cccc(N)c1C 59083090 ATOPVNCAHZIGLR-UHFFFAOYSA-N 292.423 3.893 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(Cl)c2)C1 116808359 OUXZCMYFYOPGKZ-NHYWBVRUSA-N 276.767 3.542 30 20 CHED CC(C)[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 173050379 LMQYQZPCOHIDFM-QGZVFWFLSA-N 278.355 3.937 30 20 CHED C=C[C@H](C)NC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 119782506 IHVHQINQLWZQJA-HRCADAONSA-N 281.440 3.833 30 20 CHED C=CCCCSc1nnc(-c2ccncc2)n1C1CC1 117549177 VPDFKGOTRDMMDN-UHFFFAOYSA-N 286.404 3.733 30 20 CHED C[C@H](C#N)CN(C)C(=O)/C=C/c1c(Cl)cccc1Cl 67678175 SGSHTEXEXJZDPG-VQCYPWCPSA-N 297.185 3.625 30 20 CHED C=C(C)CNC(=S)Nc1cccc(OCCCC)c1 64893420 CZHVKSDYFCHUHB-UHFFFAOYSA-N 278.421 3.728 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(OCC)ccc1OCC 116998384 UNDCZBAXGFAPHE-GFCCVEGCSA-N 292.379 3.570 30 20 CHED N#Cc1ccccc1NC(=O)CCc1cccc(Cl)c1 62159607 VMASOKQQAWPXDT-UHFFFAOYSA-N 284.746 3.783 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(N(C)C)cc1 119030857 AQKLOEQDABPRSM-RMKNXTFCSA-N 255.317 3.550 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1Nc1ccc(F)cc1C#N 302407760 HUBPYJDULHMNRD-HOTGVXAUSA-N 276.355 3.703 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 174123734 OAOGFPGDPITVDZ-OAHLLOKOSA-N 290.794 3.600 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(-c2nccs2)cc1 116998295 FBGFPIOPOHVBHF-NSHDSACASA-N 287.388 3.896 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccnc1Cl 112183896 CKOVHUUJOMJWOZ-UHFFFAOYSA-N 292.810 3.944 30 20 CHED CC(C)(C)c1ccc(OC[C@@H](C#N)CCC#N)cc1 119249326 TVGDEXSOBBMAPH-CYBMUJFWSA-N 256.349 3.806 30 20 CHED N#CCOc1ccc(NCc2cc(F)c(F)c(F)c2)cc1 62705818 WPIIBOAKRCYGMX-UHFFFAOYSA-N 292.260 3.618 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2ccccc2C1 118390150 LCRZLHXNVSNYOE-CQSZACIVSA-N 262.356 3.678 30 20 CHED N#Cc1ccsc1NC(=O)C[C@@H]1CCc2ccccc21 115203538 AUNPXEBNMMOEDT-LBPRGKRZSA-N 282.368 3.678 30 20 CHED C#CCCCCC(=O)NCC1(c2ccccc2)CCCC1 179672114 LTGQDXHGYUPLKL-UHFFFAOYSA-N 283.415 3.808 30 20 CHED CC(C)C[C@H](CCO)CNc1c(Cl)cccc1C#N 301418958 HELNNNWCPDQGNI-LBPRGKRZSA-N 280.799 3.668 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 230003348 BSGUPIARCIBNCY-NSHDSACASA-N 284.746 3.954 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc2c(cc1Cl)OCO2 189970474 IPZKPFATZHUUHE-CQSZACIVSA-N 281.739 3.610 30 20 CHED C=CC[C@@H](C(=O)Nc1nc(C)cs1)c1ccccc1 189445742 WLTTYQVWKUDQIH-CYBMUJFWSA-N 272.373 3.750 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccccc1 33696273 WBRIJHYFOFAUIH-VURMDHGXSA-N 250.297 3.518 30 20 CHED C#CCC(C)(C)COC(=O)CCc1ccc2[nH]ccc2c1 185341696 RSIJTZQEWIPSNK-UHFFFAOYSA-N 283.371 3.693 30 20 CHED Cc1cscc1NC(=O)Nc1ccc(F)c(C#N)c1 120642874 STUZEHKKDQGPRO-UHFFFAOYSA-N 275.308 3.711 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1Cl)c1ccncc1 78306066 QMOIKPJMXBCRQG-CYBMUJFWSA-N 272.739 3.565 30 20 CHED C[C@H](NCc1cnc2ccccc2c1)c1ccc(C#N)cc1 317301535 RXQNPCUFHQLISO-AWEZNQCLSA-N 287.366 3.957 30 20 CHED C[C@@H](CC(=O)OCC1(C#N)CCC1)c1cccc(F)c1 183864912 IKRBUQDWQHCIJO-LBPRGKRZSA-N 275.323 3.556 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(NC(C)=O)c1C 122343224 OQVZEPXSAIVKPX-UHFFFAOYSA-N 286.375 3.660 30 20 CHED CCC1(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 505832825 MXSHWYXFTSSDBX-HNNXBMFYSA-N 284.403 3.855 30 20 CHED C=C(C)CN[C@H](C)c1ccc(Br)cc1F 153389199 QJPDRASRONHWMZ-SECBINFHSA-N 272.161 3.815 30 20 CHED C=C(C)C[C@H](C)C(=O)NCc1ccc(OC)c(Cl)c1 185884887 GIFMPUHLQMIENH-NSHDSACASA-N 281.783 3.567 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc(C)c(C)cc1Cl 410832580 DJAHSBOKTQSOPM-GFCCVEGCSA-N 278.783 3.721 30 20 CHED CCc1ccccc1C(=O)N(CCC#N)CC(C)(C)C 125683721 HBNBBECKPUXLMT-UHFFFAOYSA-N 272.392 3.651 30 20 CHED Cc1cc([C@@H](C)NCCCSCC#N)c(C)s1 182983787 NHMGRPVERSAYBE-LLVKDONJSA-N 268.451 3.662 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc(Cl)n2)c1 121935100 NSFARQOFSJGDBQ-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Cl)c(SC)c1 417283627 YIFQPFFMWTUIRO-UHFFFAOYSA-N 270.785 3.760 30 20 CHED CN(CC#Cc1cccc(Cl)c1)Cc1ccccc1O 121153615 NZBZBHHUNYMWTL-UHFFFAOYSA-N 285.774 3.529 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(Br)cc1 125625165 FBTYLOADZRDOHW-LBPRGKRZSA-N 298.224 3.692 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)cc1 76106249 PVMWDWAGUCXAAO-ZZXKWVIFSA-N 287.240 3.872 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](CC)c1ccn(C)n1 414302065 MLRTXSQSGCIRHA-SJORKVTESA-N 283.419 3.648 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@H]1C)c1ccccc1 188341934 KBZOYFMJVOTYEW-GDBMZVCRSA-N 257.377 3.747 30 20 CHED CCC[C@@H](O)CSc1nc(-c2ccccc2)ccc1C#N 412991755 JGLFPFKZPDBUHL-OAHLLOKOSA-N 298.411 3.873 30 20 CHED Cc1ccc(C#N)cc1NCc1cc2ccccc2nc1O 315486089 WGNJFNQLCNVEIX-UHFFFAOYSA-N 289.338 3.733 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1C[C@H](OCC)C12CCOCC2 186312784 AVHBWRJDTGYKBH-BBWFWOEESA-N 295.467 3.685 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)CCCC1CCCC1 416017149 TXXVCCHETCBPSR-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C[C@H](CCc1ccccc1F)C(=O)[C@@H](C#N)c1ccccn1 76825607 KSBZVQJTJSGHQF-HIFRSBDPSA-N 296.345 3.666 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC1CCC1 413830415 XPXLRZQPCIQSGO-KRWDZBQOSA-N 286.419 3.615 30 20 CHED Cc1nc(CN(C)Cc2ccccc2C(C)(C)C#N)cs1 135152247 CESSDAXQGSHQHK-UHFFFAOYSA-N 299.443 3.885 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 505809987 VAQBAPUQEFUUBP-LALPHHSUSA-N 290.794 3.847 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2c(C)cc(C)cc2[nH]1 410129200 XZLGVTRGZMMRSG-CYBMUJFWSA-N 270.376 3.869 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(OC(F)(F)F)c1 410127368 MAXOPOQTFIUELQ-LLVKDONJSA-N 287.281 3.670 30 20 CHED CCN(CCC#N)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 133558381 QZJYDXVQWSHDLR-UHFFFAOYSA-N 298.430 3.778 30 20 CHED C=CCC[C@@H](C)Nc1cccc(C(=O)N(CC)CC)c1 130627922 WCIBCPUAGXKKHK-CQSZACIVSA-N 274.408 3.935 30 20 CHED CC(C)C1(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 133743030 QZEMYMYRUFDUAY-INIZCTEOSA-N 299.418 3.767 30 20 CHED Cc1nc(C)c(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 329885035 TZENXANRWYGUEJ-BFHYXJOUSA-N 276.380 3.955 30 20 CHED CC[C@@H]1C[C@@H](C(O)=Nc2cccc3ccn(C)c23)CC(O)=N1 329958106 QLOIAPBZKBZUPJ-CHWSQXEVSA-N 299.374 3.911 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1/N=C(/O)c1csc(O)n1 329911700 NZJXQKKDDWFJFI-WDEREUQCSA-N 282.409 3.758 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCC(C)(C)C1 425477257 CAQRNSGGQXTJRE-XJKSGUPXSA-N 299.418 3.839 30 20 CHED C=CCN(Cc1ccc(OCC)cn1)Cc1cccs1 88484907 IFOLTFWULASSGQ-UHFFFAOYSA-N 288.416 3.730 30 20 CHED C=CCCC1=NN=C(Nc2cc(C)ccc2F)SC1 134438188 LYUNZKJDXRBZEZ-UHFFFAOYSA-N 277.368 3.971 30 20 CHED CC(C)(C#N)C(=O)NCC1CCC(c2ccccc2)CC1 518111763 AIJDOCSEYNPNKY-UHFFFAOYSA-N 284.403 3.626 30 20 CHED Cc1cc(N2C[C@@H](c3ccccc3)C[C@@H]2C)c(C#N)cn1 425233089 VJHXREISLGPPQF-HOCLYGCPSA-N 277.371 3.644 30 20 CHED COc1cccc(/C=N/Cc2ccc(C)cc2C)c1O 48501921 ZQGKTQYMWUDTGG-WOJGMQOQSA-N 269.344 3.637 30 20 CHED Cc1cc(C(=O)N(C)c2ccc(C#N)cc2)c(C)s1 610252657 VGNQPQGJSSEGPQ-UHFFFAOYSA-N 270.357 3.513 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccccc2SC)CC1 194886251 DZWQDPFTVRNYTB-CQSZACIVSA-N 290.476 3.710 30 20 CHED N#Cc1ccccc1NC(=O)CCCc1ccc(F)cc1 40644640 QSSNHBBXWJJEKQ-UHFFFAOYSA-N 282.318 3.659 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)OC)ccc1Cl 191807277 HWRZPCZHDQBXIG-OAHLLOKOSA-N 295.766 3.667 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NCc1cccc(F)c1C#N 427526928 FPOLYXUOWWLEAQ-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C=C(Br)CN[C@@H](c1ccccc1C)C1CC1 131960830 CRJXLVKQFJQSCB-CQSZACIVSA-N 280.209 3.944 30 20 CHED CCCCN(C(=O)c1cccc(SCC#N)c1)C1CC1 429853520 KPLAZMMERHXYRS-UHFFFAOYSA-N 288.416 3.707 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H](C)C(F)(F)C1)c1ccccc1 427677025 IUTKPMLSXYPKKY-ZFWWWQNUSA-N 293.357 3.850 30 20 CHED N#Cc1ccccc1OCc1sccc1Br 43523197 GEAWEVHNTPUPJH-UHFFFAOYSA-N 294.173 3.961 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 44469947 RJXNZLNEJWHLOE-NEPJUHHUSA-N 275.314 3.556 30 20 CHED C=CCc1cc(CNCC(C)(C)CC)cc(OC)c1O 428562870 XUDJEMSWPKWBQO-UHFFFAOYSA-N 277.408 3.655 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCCN(C)c1ccccc1 190955106 HNBCXUKCDLLKSI-SFHVURJKSA-N 288.435 3.622 30 20 CHED CCC[C@]1(COC)CCCN1CCCC(C)(C)C#N 194923882 BZEZSPWLEHHKJG-MRXNPFEDSA-N 266.429 3.597 30 20 CHED N#Cc1ccc(CNC(=O)CCCC2CCCC2)s1 421605498 VJJRHPCEACFDEG-UHFFFAOYSA-N 276.405 3.596 30 20 CHED C=CCC1(C(=O)NCCCCCN2CCCCC2)CCC1 191576158 SMRHQGNFGJNQFZ-UHFFFAOYSA-N 292.467 3.505 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C(/O)c2c(CC)noc2C)C1 331108281 HREWDQDUQKHBQW-NWDGAFQWSA-N 296.436 3.914 30 20 CHED C=CCCCCNC(=O)CCc1cccc(OC(F)F)c1 424770846 JUFKXVKHTRGNRZ-UHFFFAOYSA-N 297.345 3.693 30 20 CHED N#CCc1ccc(NCc2occc2Br)cc1 230852180 DECHVWHKSYPMTK-UHFFFAOYSA-N 291.148 3.720 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H](C)CC(C)(C)C 48322298 UUDBZIIQKAKOIF-CQSZACIVSA-N 266.429 3.847 30 20 CHED CC1CCC(C)(NC(=O)Nc2cccc(C#N)c2)CC1 339113693 JRBKQNNKNQVJQD-UHFFFAOYSA-N 271.364 3.649 30 20 CHED Cc1cc(N[C@H](C)CC#N)c([N+](=O)[O-])cc1C(F)(F)F 338663548 YZONJGIQBHUGSW-MRVPVSSYSA-N 287.241 3.636 30 20 CHED C#CCCCCN[C@@H](CC)c1ccc(N(C)C)cc1 90398531 SFPQBLRGNZIBLZ-KRWDZBQOSA-N 258.409 3.597 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 519812144 RZLIZWSIRULDIP-UHOFOFEASA-N 286.375 3.562 30 20 CHED C=CCOCCN(Cc1cccc(C)c1)Cc1ccccn1 339037081 FJHOOZUMECJFAZ-UHFFFAOYSA-N 296.414 3.595 30 20 CHED Cc1[nH]c2ccccc2c1CCNCc1ccc(C#N)cc1 237715653 QMIVKFRFXPLQFF-UHFFFAOYSA-N 289.382 3.680 30 20 CHED N#C[C@]1(C(=O)NCC2(C3CCC3)CCC2)CC12CCCC2 333489466 IRTWAZVGSMHITG-SFHVURJKSA-N 286.419 3.547 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)C1 331032542 HVQDZTVAYJWEBG-PVAVHDDUSA-N 284.403 3.769 30 20 CHED CCN(CC#N)Cc1cccc(OCc2ccc(F)cc2)c1 92399149 SCMISIIGMYUTQS-UHFFFAOYSA-N 298.361 3.750 30 20 CHED CC(C)[C@@H]1N(C(=O)c2ccc(CC#N)cc2)CC12CCCC2 334768179 AFGQUVCCXCAYQG-KRWDZBQOSA-N 296.414 3.793 30 20 CHED N#CCCCc1nc(-c2ccc(Cl)c(Cl)c2)no1 236043943 WCZZTSVCNBJTLI-UHFFFAOYSA-N 282.130 3.890 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1c(F)cc(F)cc1F 432970090 FOUVEBQJAOAFOV-UHFFFAOYSA-N 286.297 3.828 30 20 CHED Clc1ccc(C#CCN(Cc2ccncc2)C2CC2)cc1 93221467 KUYXVEXPFWALTC-UHFFFAOYSA-N 296.801 3.751 30 20 CHED Cc1cn2c(/C=C\C(=O)c3ccc(O)cc3)c(C)nc2s1 96930317 JGRWNJKPYVYEHN-FPLPWBNLSA-N 298.367 3.614 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@H](C(F)(F)F)C1 435738421 AMTXJPOLWDHCRH-RFGFWPKPSA-N 291.357 3.678 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)C[C@@H](C)CC 436300350 JPIFUIKVUPPYRM-FZKCQIBNSA-N 253.430 3.772 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 245919342 GDAFINMCASMHSC-DJIMGWMZSA-N 299.418 3.909 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1CCCc2sccc21 341619026 FPRLIXCYYLXUNY-WCQYABFASA-N 263.406 3.639 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(CCC#N)C(C)C)cc1 609990468 MYKGYJWXOFVQEO-HNNXBMFYSA-N 286.419 3.893 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2c(C)cc(O)nc2c1 343529530 BTAIDVKFLRLHHN-CYBMUJFWSA-N 298.386 3.723 30 20 CHED C=CCCC1(C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1 525980320 UMAYJCXXJXAOTC-UHFFFAOYSA-N 298.390 3.697 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccnn1-c1ccccc1 348206055 KNSSNPOJSAAOGJ-OAHLLOKOSA-N 296.418 3.853 30 20 CHED C[C@@]1(c2ccccc2)CC[C@@H](NCC2(CC#N)CC2)C1 430741439 SWBKLXZIZXMNKL-IAGOWNOFSA-N 268.404 3.780 30 20 CHED C=C1CCN(C(=O)c2cc(F)ccc2-c2ccoc2)CC1 349526494 BWHLFDHSVCTYKW-UHFFFAOYSA-N 285.318 3.878 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 609034596 YGKZOKPTGXUPHC-ROUUACIJSA-N 298.430 3.966 30 20 CHED COc1ccccc1/C=C1/Cc2cc(F)ccc2C1=O 255334300 NMCBWRDDXYVHHZ-JYRVWZFOSA-N 268.287 3.657 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@@H](C)CCC#N)CC3 602588057 KOFGPHJKPYILNX-GJZGRUSLSA-N 295.430 3.863 30 20 CHED CCCCOc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1 608822429 DMCJTSNWDPODSP-HNNXBMFYSA-N 288.391 3.534 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)CCO1 540039112 AUTKVFANRSUWKJ-ZFWWWQNUSA-N 278.783 3.827 30 20 CHED COCc1cc(C#N)ccc1NCCC1(CSC)CC1 603408809 QYINRYDIZKHXBI-UHFFFAOYSA-N 290.432 3.650 30 20 CHED N#Cc1ccc(-c2cccc([C@@H]3CCCN3)c2)s1 600778322 WGQNHHPBJARUJH-AWEZNQCLSA-N 254.358 3.711 30 20 CHED N#Cc1ccc(-c2cccc(C3CCNCC3)c2)s1 600778395 XYEZDEPKLBVMIK-UHFFFAOYSA-N 268.385 3.754 30 20 CHED C[C@@H](CCC#N)CNc1cccc(OC[C@H]2CCCO2)c1 602487431 MAMFKJBJUCLQTP-WMLDXEAASA-N 288.391 3.596 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](Nc1ccccc1)C(C)C 443641155 UJUJZJAFFAAIDX-WMZOPIPTSA-N 288.435 3.842 30 20 CHED COc1ccc(O)c(C=Nc2ccc3c(c2)C(=O)CCC3)c1 255303300 ZLHIGHPPFWEEKQ-UHFFFAOYSA-N 295.338 3.670 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H](CC)c1ccccc1 448819577 BTPTYRHHURJDLW-IKGGRYGDSA-N 287.403 3.577 30 20 CHED N#CCCN[C@H]1CC=C(c2ccc(Cl)cc2)CC1 449287085 JEJZOWBDSNHMML-HNNXBMFYSA-N 260.768 3.779 30 20 CHED N#Cc1ccc(NCc2cccc3cc[nH]c23)cc1[N+](=O)[O-] 357664457 SYROUOLFSXONRT-UHFFFAOYSA-N 292.298 3.560 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 268745988 AQDRWGHONMHDTC-CJNGLKHVSA-N 286.419 3.967 30 20 CHED C=C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 264474399 JSXANGNSGDMBCT-UHFFFAOYSA-N 275.779 3.550 30 20 CHED Cc1cc(C#N)cc(NC[C@@H](C)CC2CCOCC2)c1 449756770 BUCPVCOHYPONTO-AWEZNQCLSA-N 272.392 3.731 30 20 CHED N#Cc1ccc(N[C@H]2C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 357663104 QQJBOWGTDUTCKR-CABCVRRESA-N 297.289 3.574 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCCNc1ccccc1)CC2 353251998 IOXNWOIVBKIHHZ-IBGZPJMESA-N 291.398 3.637 30 20 CHED C=CCCC1(C(=O)N(CCC)C[C@@H]2CCCCO2)CC1 355791890 IKYIQUUMVWGMDP-HNNXBMFYSA-N 279.424 3.541 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 448724873 MSXKAOGLOXFGMZ-KBAYOESNSA-N 298.430 3.969 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 354525956 LYEXPWHJKBLGOL-MRXNPFEDSA-N 267.332 3.560 30 20 CHED C=CCC1(NC(=O)c2cc(COC)cs2)CCCCC1 615960696 HQRNHBMSWQKZCH-UHFFFAOYSA-N 293.432 3.903 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1 353549429 DNRYOPJHYKXDCJ-CJNGLKHVSA-N 299.418 3.572 30 20 CHED Cc1cccc([C@H](C)NCCOc2ccccc2C#N)c1C 537087954 OEYKEIZQCVIZFF-INIZCTEOSA-N 294.398 3.905 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(OC(C)(C)C)CC1 537267967 ORGPIYBEKJQDPK-CQSZACIVSA-N 296.455 3.720 30 20 CHED N#Cc1cccc(NC(=O)N(C2CCCCC2)C2CC2)c1 610518711 FRZCVWQQBKPMOA-UHFFFAOYSA-N 283.375 3.887 30 20 CHED C=CCCC1(C(=O)N2Cc3ccccc3[C@H]2C)CC1 356258629 FOFKRNTXXVLIJK-CYBMUJFWSA-N 255.361 3.836 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)Cc1ccc(Cl)c(Cl)c1 267273219 SSAXAKKOZYAPGF-LBPRGKRZSA-N 299.201 3.590 30 20 CHED C=CCCCCCN(C)Cc1cccc(C(=O)OC)c1 610080101 WIBWOJXROBNUNQ-UHFFFAOYSA-N 275.392 3.651 30 20 CHED Cc1cccc(Oc2ccccc2C(=O)N(C)CCC#N)c1 441833896 BIDJCHGZAIJLMZ-UHFFFAOYSA-N 294.354 3.773 30 20 CHED C=CCCC1(C(=O)Nc2cccc(-c3ncc[nH]3)c2)CC1 355638329 UQUGPQOWAYVDEF-UHFFFAOYSA-N 281.359 3.762 30 20 CHED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2ccccc2)c1 357801278 MKZDLSJAPDLSMO-GOSISDBHSA-N 290.366 3.926 30 20 CHED CC[C@H](CC(=O)Nc1cccc(OCC#N)c1)C(C)C 264103423 AROQSDDWDFXPQH-CYBMUJFWSA-N 274.364 3.600 30 20 CHED C=CCCCC(=O)NCc1c(Cl)cccc1Cl 531120735 NSWJJUJHLOHHHV-UHFFFAOYSA-N 272.175 3.966 30 20 CHED COc1cccc2c(N3CCC[C@](C)(C#N)C3)cc(C)nc12 612106935 KBELAFGRVWHYQB-GOSISDBHSA-N 295.386 3.682 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(CSCC)cc1 455907705 YRSVRQGJHUAEHI-UHFFFAOYSA-N 278.421 3.980 30 20 CHED C[C@@]1(C#N)CCCN(CCc2ccccc2Cl)C1 612159031 QJQASWZLHRTXQY-HNNXBMFYSA-N 262.784 3.508 30 20 CHED Cc1c(C(=O)Nc2cccc(C#N)c2)cnc2ccccc12 360922850 XSZPPQYMRCZMMA-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(C)n1 618807328 XUQHNPNKULTMRP-LIRRHRJNSA-N 291.398 3.908 30 20 CHED C=CCC1(C(=O)NCC(=C)c2ccccc2)CCCC1 451759547 RRZUVARNAYXHCJ-UHFFFAOYSA-N 269.388 3.953 30 20 CHED N#CCCCC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 360303060 MNQDZZSOEQZMTM-SFHVURJKSA-N 296.345 3.725 30 20 CHED Cc1ccnc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 616757988 UTJXJJGEKVDFMJ-RBUKOAKNSA-N 291.398 3.662 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(SC)cc1 454351409 FCXRVFAUEGVCOQ-UHFFFAOYSA-N 264.394 3.742 30 20 CHED C=CCCCCN[C@@H]1CCCc2cc(C#N)ccc21 613667619 WCNRCNNAKGVKDZ-QGZVFWFLSA-N 254.377 3.882 30 20 CHED COc1ccccc1C[C@@H](C)Nc1cccc(OCC#N)c1 272988301 WKEFJVFUZUDPOC-CQSZACIVSA-N 296.370 3.641 30 20 CHED Cc1sc(NC(=O)C23CCC(CC2)C3)c(C#N)c1C 544056251 CDUZQTMEJRGHJN-UHFFFAOYSA-N 274.389 3.755 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 612290020 GNFCWDVKPHRSEW-CQSZACIVSA-N 295.745 3.637 30 20 CHED N#Cc1csc(CN2CC[C@H]2c2cccc(F)c2)c1 611274496 CNXZCJYUFIFNPK-HNNXBMFYSA-N 272.348 3.706 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 363332387 XMPPAUPCAGENBL-SJORKVTESA-N 282.387 3.641 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)CC(C)(C)C#N)CC2 278821845 PPVCANDALWYKDY-INIZCTEOSA-N 284.403 3.853 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](OC)CC1 360701210 WKFKKOVTGXYSBD-OAHLLOKOSA-N 269.429 3.765 30 20 CHED Cc1ccnc(NC[C@H]2CSc3ccccc32)c1C#N 450568058 USCOUNKSIWWESN-LBPRGKRZSA-N 281.384 3.563 30 20 CHED Cc1ccccc1Cc1noc(-c2ccc(CC#N)cc2)n1 544901509 HAYRCSQTTUPRAH-UHFFFAOYSA-N 289.338 3.702 30 20 CHED CN(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C#N)cc1 279734307 WHWXPFFABRYLKS-UHFFFAOYSA-N 292.382 3.760 30 20 CHED COc1ccc([C@@H](NCC2(C#N)CCC2)C(F)(F)F)cc1 450708554 NIYKJVDKZNIBEK-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C=C(C)CNC(=O)[C@H](CCC)c1cccc(Cl)c1 626518915 KJQFWUMUXUPUDJ-CQSZACIVSA-N 265.784 3.916 30 20 CHED C=CCN(C(=O)[C@@H](CC)Sc1ccccc1)C1CC1 542523692 NBRMXEJHPLKUMG-OAHLLOKOSA-N 275.417 3.734 30 20 CHED C=CCC1(C(=O)N2CC(CC)(c3ccccc3)C2)CCC1 458210938 FWRFOBGJDKHRGJ-UHFFFAOYSA-N 283.415 3.923 30 20 CHED Cc1[nH]c2ccc(-c3noc([C@@]4(C#N)C[C@H]4C)n3)cc2c1C 453088806 OFYDAFCSTGSUIL-VVVCHXIZSA-N 292.342 3.636 30 20 CHED C=C(C)CNC(=O)[C@@H](CCC)c1cccc(Cl)c1 626518914 KJQFWUMUXUPUDJ-AWEZNQCLSA-N 265.784 3.916 30 20 CHED CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)n[nH]1 277375022 XHMNEFLTSXKOMR-AVGNSLFASA-N 297.406 3.602 30 20 CHED C=CCN(C(=O)Nc1ccc2occ(C)c2c1)C1CC1 274817504 DGEMVBJKYHPLBR-UHFFFAOYSA-N 270.332 3.924 30 20 CHED Cc1cccc(OC[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 540596039 JHSZPLOKKIYDHN-CVEARBPZSA-N 294.398 3.985 30 20 CHED C=CCCC(=O)Nc1cc(C)ccc1C(F)(F)F 622954571 WXDCIAVBGLOLBS-UHFFFAOYSA-N 257.255 3.919 30 20 CHED C[C@H](CC(=O)Nc1ccccc1CC#N)c1ccccc1 549715878 FTDQIOQAUQNJSD-CQSZACIVSA-N 278.355 3.885 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncc(C#N)cc1Cl 462110217 SULHBEAEQGGHSN-QKCSRTOESA-N 275.783 3.764 30 20 CHED C[C@@H](C(=O)Nc1cccc(Cl)c1)c1cccc(C#N)c1 462300313 SOIFWVFSGXQGQZ-LLVKDONJSA-N 284.746 3.954 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](c2ccccc2C)C1 276883782 GPVFIVASDHCWPJ-QAPCUYQASA-N 271.404 3.913 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 467059801 PYDTULOQDKEMBM-OAHLLOKOSA-N 289.419 3.920 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC=C)c1ccccc1 466525262 AVAIZMLEIRJVSV-JKSUJKDBSA-N 257.377 3.817 30 20 CHED C=CC[C@H](CC)NC(=O)N(CCC(F)(F)F)CC1CC1 466383220 LAWYGZLLJVEWDN-LBPRGKRZSA-N 292.345 3.715 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C1CC1)[C@H](C)c1ccccc1 280719269 INXYVGUMZOQEGV-GFCCVEGCSA-N 294.354 3.826 30 20 CHED C=CCC[C@@H](NCc1ncnn1C(C)(C)C)c1ccccc1 282862747 UTAQYTDDNWIXEF-MRXNPFEDSA-N 298.434 3.830 30 20 CHED C=CC[C@H](C)N[C@H]1CCc2cccc(Br)c2C1 555552617 SITWVRSEPXUWFL-AAEUAGOBSA-N 294.236 3.861 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2)c2cc(Cl)ccc2O1 464776210 KVNHKSCEOJLVPR-LBPRGKRZSA-N 298.773 3.999 30 20 CHED CCCCCCCC(=O)N1CCC[C@@](C)(OC)CC1 376596772 WWHBVJDOLHMGJY-MRXNPFEDSA-N 269.429 3.765 30 20 CHED CC(C)CC1(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 462183921 AJLREEZHROBWKR-AWEZNQCLSA-N 284.403 3.604 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1cn(C(C)C)nn1)C2=O 287191014 KZAGMIIAVYXXSP-AAWHYMEISA-N 281.359 3.551 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(c2cccc(Cl)c2)CC1 466410277 RZPPPRANKBMFDV-CQSZACIVSA-N 292.810 3.983 30 20 CHED Cc1nsc(Nc2ccc(C(C)(C)C#N)cc2)c1C#N 288014010 BSCYTVCPFQSCDZ-UHFFFAOYSA-N 282.372 3.868 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2CCC[C@@H](C)C2)no1 288953270 PBLMOBGVQLQGAH-XJFOESAGSA-N 276.380 3.812 30 20 CHED C=CCC(C)(C)CN[C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 556218663 YLTOWVOOQIEFLX-KFWWJZLASA-N 281.440 3.546 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(OCc2cccc(C)c2)c1 465117615 UXSQXVRHHZDNOU-OAHLLOKOSA-N 295.382 3.878 30 20 CHED C=CCOCCN1CCC[C@@H]1c1cccc(Cl)c1 555314738 NTUSUMJWMBGHTM-OAHLLOKOSA-N 265.784 3.680 30 20 CHED Clc1ccc(C#CCN2CCCC[C@@H]2c2cc[nH]n2)cc1 285521093 ZERLXCHEWNJNBP-QGZVFWFLSA-N 299.805 3.642 30 20 CHED N#Cc1ccc(CN(Cc2ccc(O)cc2)CC2CC2)s1 289482825 QRMRAUFKZBYCHI-UHFFFAOYSA-N 298.411 3.738 30 20 CHED C=CC[C@H](CC)NC(=O)N1c2ccccc2C[C@@H]1C 466377270 CUTNLVFRVXBQGJ-JSGCOSHPSA-N 258.365 3.502 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(F)c(F)c(F)c1 280898397 QXNDESZYCRCUIB-UVWXRNBGSA-N 299.336 3.736 30 20 CHED C=CCCCCCCCCNC(=O)C1(C)CCOCC1 807843748 OXVBUOHSCHSUAW-UHFFFAOYSA-N 281.440 3.836 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C)CC1 559008158 ZMBHZXSIBMDEAR-CQSZACIVSA-N 276.428 3.604 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C(=O)CCCC#N 291962640 CUOZFAMBZNNWLA-INIZCTEOSA-N 258.365 3.536 30 20 CHED C#C[C@H](NC(=O)[C@H](CC)Sc1ccccc1)C(C)(C)C 807884293 MDVUQWVFKZEPAW-GJZGRUSLSA-N 289.444 3.721 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(F)c(C#N)c2Cl)no1 806555201 AARIJDCNOKJSKM-HWKANZROSA-N 290.681 3.543 30 20 CHED C#C[C@@H](NC(=O)c1oc2c(C)cccc2c1C)C(C)(C)C 807878725 ZUZRHAJWBMMYTC-CQSZACIVSA-N 283.371 3.827 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 294267201 GVXGIELVJMYZEY-UHFFFAOYSA-N 256.349 3.638 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)CCCC#N)C2)cc1 293515336 ZVQWIHNGBJIEEC-QGZVFWFLSA-N 284.403 3.649 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)c1ccc(C)c(Cl)c1 290230625 YJSKCUUFKBWOBJ-AWEZNQCLSA-N 264.756 3.551 30 20 CHED C=CCCc1nc(C2(c3cccc(C)c3)CC2)no1 565624251 CHNYYYZAPCUNBH-UHFFFAOYSA-N 254.333 3.577 30 20 CHED Cc1cnc(C(=O)Oc2cc(C)c(C#N)c(C)c2C)c(C)c1 809036304 KVHRPGOPNKQPEA-UHFFFAOYSA-N 294.354 3.715 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](OC)[C@@H](C)CC 477142801 VRDDYCCBJHBFBD-RDJZCZTQSA-N 289.419 3.652 30 20 CHED CCCCCCCC(=O)Nc1nc([C@@H](C)OC)ns1 800990828 ZTVZTKIJRPHPFU-SNVBAGLBSA-N 285.413 3.545 30 20 CHED C=C(CNC(=O)Nc1cccnc1Cl)c1ccccc1 806226388 TWUPXDZEFFPNSO-UHFFFAOYSA-N 287.750 3.570 30 20 CHED C=CCCCCCCCCNC(=O)Nc1cccnn1 806344647 MLOYICBFZYQQGG-UHFFFAOYSA-N 276.384 3.515 30 20 CHED C#CCN(C(=O)Nc1cc(C(F)F)ccc1Cl)C1CC1 297177555 SMTHKYXNHHESMA-UHFFFAOYSA-N 298.720 3.907 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(C)cc1Cl 806101681 NDGHUPCRTXVWQH-NSHDSACASA-N 264.756 3.572 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(CCC(C)C)CC1 470070485 XZFDPKFQFXWDOB-AWEZNQCLSA-N 266.429 3.809 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1[C@@H]1CC[C@H](C#N)C1 292735618 GVORVMLOBFRVJZ-LAVFITLUSA-N 268.404 3.632 30 20 CHED CCOc1cccc(CN2CCC(CCC#N)CC2)c1 567905295 QEJIMBWTUCJLFE-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)c1cc(F)ccc1OC 472860229 YTOJKMOCJVAHJU-LBPRGKRZSA-N 294.370 3.551 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 472835233 OFBKIFQXOXODGL-WBVHZDCISA-N 286.419 3.930 30 20 CHED N#CCN(C(=O)/C=C/c1cc(Cl)ccc1Cl)C1CC1 299194212 LPJJPUZIFFWGCN-LZCJLJQNSA-N 295.169 3.521 30 20 CHED C[C@H](CC1CCCC1)C(=O)N1CCC(CCC#N)CC1 566564407 WHJZOUXYKTZEFH-CQSZACIVSA-N 276.424 3.745 30 20 CHED CC(C)(C#N)CC(=O)NC[C@H]1CCC[C@H]1c1ccccc1 295829320 UTBYXKLGWACFAK-CVEARBPZSA-N 284.403 3.626 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C)cc(CN(C)C)c1 293491559 PIPXOAODURIONW-UHFFFAOYSA-N 274.408 3.597 30 20 CHED CCC(=NNc1ccc(F)cn1)c1ccc(Cl)c(N)c1 814842455 IRNWXRHVPDFWQA-UHFFFAOYSA-N 292.745 3.683 30 20 CHED OCCC[C@H]1CCCCC1=NNc1ccc2ccccc2n1 814697183 CECKFQAFTZNBAG-CQSZACIVSA-N 297.402 3.965 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NOCCOC(C)C 812240117 IVYUUNXTRPODRT-UHFFFAOYSA-N 299.798 3.904 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(F)cc2)no1 564209685 CNVVHFVNACZKQA-OAHLLOKOSA-N 260.312 3.653 30 20 CHED C=CCC1(C(=O)NCc2ccn(C(C)C)n2)CCCCC1 568950921 FDKABQMBLAPDCB-UHFFFAOYSA-N 289.423 3.607 30 20 CHED Brc1ccccc1NN=Cc1ccsc1 812461876 BRVPPHUWGCAWIB-UHFFFAOYSA-N 281.178 3.957 30 20 CHED CO[C@](C)(C=NNc1ccc(OC(F)F)cc1)C1CC1 814828694 ONQSZAGKVFFQIU-CQSZACIVSA-N 284.306 3.501 30 20 CHED CCCC(=NNc1nc2ccccc2n1C)c1ccccn1 814807521 ZLRSGYJKDMNIDW-UHFFFAOYSA-N 293.374 3.585 30 20 CHED C=CCC(F)(F)C(=O)N(C)c1ccc(F)c(Cl)c1 815966841 ITLRRNPIXOZVOF-UHFFFAOYSA-N 277.673 3.653 30 20 CHED C=CCCCCN(C)CC(=O)Nc1c(C)cc(C)cc1C 577348884 IPXHGJSSVVLZRB-UHFFFAOYSA-N 288.435 3.838 30 20 CHED C=CC[C@@H]1CC[C@@H](NC2(c3noc(C(F)F)n3)CCC2)C1 651815818 NZPULHNMFBPEIS-GHMZBOCLSA-N 297.349 3.721 30 20 CHED CC(=NOCCOC(C)C)c1ccc(Cl)cc1 812240759 QZOLUOHGKAERRF-UHFFFAOYSA-N 255.745 3.506 30 20 CHED CC1(CNN=Cc2cccc3cc[nH]c23)CCCC1 814938066 UVEZROKJYWLMIL-UHFFFAOYSA-N 255.365 3.672 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccccc1Cl 485601326 RHJOPDDJUIDRKT-CYBMUJFWSA-N 278.783 3.590 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 815663258 RRZSMEIZAXPFDY-GJZGRUSLSA-N 293.357 3.725 30 20 CHED CC(=O)c1ccc(C#N)cc1NCc1noc2ccccc12 811840281 ABHHULKXMQVLRT-UHFFFAOYSA-N 291.310 3.514 30 20 CHED Cc1nc(N2CCC[C@]2(C)Cc2ccccc2)ccc1C#N 487723421 SSFQQCNULWLPJH-LJQANCHMSA-N 291.398 3.863 30 20 CHED C(=NNC[C@@H]1CCSC1)c1ccc(-c2ccccc2)o1 811662147 DDQPZGUKOKZWOF-ZDUSSCGKSA-N 286.400 3.623 30 20 CHED COc1cc(F)cc(NN=C2CS[C@H](C(C)C)C2)c1 814870386 AACAQHPKIZCHKJ-AWEZNQCLSA-N 282.384 3.764 30 20 CHED CC(C)(C)c1ccc(-c2noc(-c3cc(C#N)c[nH]3)n2)cc1 485882206 PGWBXKORQOBCQW-UHFFFAOYSA-N 292.342 3.901 30 20 CHED COCCC(Cc1cccc(F)c1)=NOC/C=C/Cl 811669135 MPHYVUONICNXPA-QTGLWHKESA-N 285.746 3.530 30 20 CHED CN(Cc1ccc(OCC#N)cc1)[C@@H]1CCc2ccccc21 729267395 UGFIZAPNRRMJIV-LJQANCHMSA-N 292.382 3.708 30 20 CHED COc1cccc(NN=Cc2ccc(SC)cc2)c1 725853077 DRXXUXMSEJBMCX-UHFFFAOYSA-N 272.373 3.863 30 20 CHED C[C@H](CC(C)(C)C)Nc1ccc(F)cc1OCC#N 824125317 HYQPAWNWNUWVMI-LLVKDONJSA-N 264.344 3.965 30 20 CHED CN(Cc1ccc(C#N)cn1)[C@@H]1CCC[C@@H]1c1ccccc1 570525090 HDJYAOPBXCBNQL-RTBURBONSA-N 291.398 3.721 30 20 CHED CC(C)C#CC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 826821981 IDADDLUUDDDVRR-UHFFFAOYSA-N 290.794 3.538 30 20 CHED C=CCC1(NC(=O)[C@H]2CCO[C@@H](C(C)C)C2)CCCCC1 821796197 FNASQAQAPUTKMP-JKSUJKDBSA-N 293.451 3.833 30 20 CHED C=CCN(CCc1ccco1)C(=O)CSCCC(C)C 490236628 GIVUPMHCDYTZMG-UHFFFAOYSA-N 295.448 3.616 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)CCCCCC#N 588345842 XNXJMTPFCIWDCE-CABCVRRESA-N 264.413 3.936 30 20 CHED O=C(/C=C\c1c[nH]nc1-c1ccccc1F)c1ccncc1 588386691 XIXZPIDMRPRKFS-WAYWQWQTSA-N 293.301 3.507 30 20 CHED CCCC[C@H]1CCCC1=NNc1nc(C)cc(C)n1 727252191 SSRVYHPBLWRGIC-ZDUSSCGKSA-N 260.385 3.852 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H](C#N)Cc1ccccc1 820213549 PINHSKMGBCHERK-HNNXBMFYSA-N 271.360 3.514 30 20 CHED CC1(c2ccccc2)CC(=NNc2cncc(Cl)n2)C1 729635496 WUHBUFNNCJDOFD-UHFFFAOYSA-N 286.766 3.650 30 20 CHED CC#CCCCCOC(=O)Cc1nsc2ccccc12 820639276 ZCHXZTJFDZCXGJ-UHFFFAOYSA-N 287.384 3.576 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H](CC)C1CC1 661873775 GHKNPSRYAVTPDN-CQSZACIVSA-N 278.421 3.634 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)c2ccsc2C#N)C1 906984343 YQNOHNWJIXQXRO-GFCCVEGCSA-N 276.405 3.518 30 20 CHED N#CCOc1cccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 822400745 RRNVWDWIQSRBLM-HZPDHXFCSA-N 298.386 3.744 30 20 CHED CC(C)(C#N)c1ccccc1CN1CC[C@@H](C2CC2)C1 491184880 CKPMCLXRMKQAKL-OAHLLOKOSA-N 268.404 3.720 30 20 CHED Cc1nc(C)c(C=NNc2cccc3cnccc23)s1 736430911 NEYHQWWYEZDTKP-UHFFFAOYSA-N 282.372 3.754 30 20 CHED C[C@@H]1CCN(c2c(C#N)cnc3ccccc23)CC1(F)F 491867951 KCELJFLXPLJAIA-LLVKDONJSA-N 287.313 3.588 30 20 CHED C=C(CNC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 588775890 JCXAHTKKVGIPRL-UHFFFAOYSA-N 296.757 3.655 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1cc2ccccc2s1 491743586 XSXAEFANSIRFOR-NEPJUHHUSA-N 286.400 3.625 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cncc(Cl)c2)no1 664919594 UDWHZVMTYMLJBM-CYBMUJFWSA-N 263.728 3.639 30 20 CHED CC(C)[C@H](NC(=O)CCCCCC#N)c1ccccc1 588460110 PPGLSUAHSCKWOD-KRWDZBQOSA-N 272.392 3.974 30 20 CHED CC(C)C(=NNc1cc(F)c(F)cc1F)C1CC1 734302624 IGXWMFMAYZMUIL-UHFFFAOYSA-N 256.271 3.938 30 20 CHED N#Cc1nn(CCc2ccccc2Cl)c2ccccc12 581036219 YNCUXCVKCSEZTL-UHFFFAOYSA-N 281.746 3.804 30 20 CHED CC(C)(CNC(=O)CCCCCC#N)c1ccccc1F 588155574 MYRPSBXTYQGQAL-UHFFFAOYSA-N 290.382 3.694 30 20 CHED CCCCCCCCC(=O)NCc1cnccc1C 836851111 HKVSLDISTBTIJC-UHFFFAOYSA-N 262.397 3.757 30 20 CHED N#CCC1(CNc2ccccc2Oc2ccccn2)CC1 901468194 XWLUROXIIJWATO-UHFFFAOYSA-N 279.343 3.980 30 20 CHED C=CCCCN1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 735492940 LAJXPQJPQJYWJH-VYDXJSESSA-N 259.393 3.803 30 20 CHED O=C1/C(=C/c2ccsc2)CCc2ccc([N+](=O)[O-])cc21 588598402 ADFKPQAZDWBHGV-KPKJPENVSA-N 285.324 3.869 30 20 CHED C=CCCCOC(=O)c1cn(C)nc1C1CCCCC1 735534392 KXOFTRHUCLGFEV-UHFFFAOYSA-N 276.380 3.591 30 20 CHED Cc1ccc(F)c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1F 839055998 OUEXRKHAJCAQMG-WDEREUQCSA-N 279.286 3.512 30 20 CHED Clc1nccnc1NN=C1CCCCCCC1 733079274 CTZKGEIGJVMPDQ-UHFFFAOYSA-N 252.749 3.642 30 20 CHED CSc1ccc(C(C)=NNc2nccnc2Cl)cc1 733078311 BQOIMLYABPAQFW-UHFFFAOYSA-N 292.795 3.688 30 20 CHED CCCCSCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 733258619 GTWQJOKZXAHDCK-ZDUSSCGKSA-N 296.823 3.554 30 20 CHED CC1(C)CCC(=NNc2cccc(Br)n2)C1 835023514 JRCXCQQZIGBTFI-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CC(=NNCc1ccc(C(F)(F)F)cc1)c1nccs1 732622067 MHHNEMLCYRYDNH-UHFFFAOYSA-N 299.321 3.676 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1cccc(C)c1)CC(C)C 593428756 MCNKTACKPDJJGO-INIZCTEOSA-N 272.392 3.529 30 20 CHED CCCc1nc(C)c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)s1 839048722 NYUICUQFESLMJK-VXGBXAGGSA-N 292.404 3.643 30 20 CHED C[C@@]1(C=NN[C@H]2CCc3c(F)cccc32)CCCS1 835019757 AQXVDHJFYSYOLO-GJZGRUSLSA-N 278.396 3.674 30 20 CHED CC#CCOC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 744687609 OQNVOXUWVQDTSA-HNNXBMFYSA-N 295.382 3.894 30 20 CHED C=C(C)CCc1noc(COc2cc(C)cc(C)c2)n1 671671102 KILUWNHIOGMGFX-UHFFFAOYSA-N 272.348 3.774 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@]1(C)CCC[C@H]1C 835336469 GYRZZDBSNYHFSH-FVQBIDKESA-N 268.397 3.585 30 20 CHED C#CC[C@@H](NC(=O)N(C)C1CC(C)(C)C1)c1ccccc1 838530368 ZBEAHXOIQYTEAJ-MRXNPFEDSA-N 284.403 3.581 30 20 CHED COc1nccc(/C=C2\C(=O)c3ccccc3[C@H]2C(C)C)n1 834438691 YXJULDZWPFWUHF-DDITZMBXSA-N 294.354 3.505 30 20 CHED Cc1ccncc1[C@@H](C)NCCC1(C#N)CCCCC1 591026642 PSMAVJOZMKGALD-OAHLLOKOSA-N 271.408 3.905 30 20 CHED CC[C@H](C#N)C(=O)Nc1ncc(-c2ccc(C)cc2C)s1 593614228 WCMQSJDSMVJCKI-GFCCVEGCSA-N 299.399 3.915 30 20 CHED CCOc1ccccc1C=NOCc1cccc(COC)c1 746559160 VMJRALRFLXZUTF-UHFFFAOYSA-N 299.370 3.782 30 20 CHED C=CCN(C(=O)Nc1ccc2c(cnn2C(C)C)c1)C1CC1 678533465 MXYCDMZAEFRGEK-UHFFFAOYSA-N 298.390 3.800 30 20 CHED C=CCSCCNC(=S)Nc1ccc(Cl)cc1 745019404 PLZKDZXMPJHMPY-UHFFFAOYSA-N 286.853 3.546 30 20 CHED Fc1ccccc1N=C1NN=C(C2CCCC2)CS1 743276874 BGHCJLAAOLQGLO-UHFFFAOYSA-N 277.368 3.696 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)cc1 746347543 LYTYXZNWNXZVHM-ZHACJKMWSA-N 299.333 3.640 30 20 CHED C[C@@H](OC(=O)c1cc(C(C)(C)C)on1)c1ccc(C#N)cc1 748678836 CEQSBTOTQJXQGN-LLVKDONJSA-N 298.342 3.762 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCOc2c(OC)cccc21 678588887 NRGHMCWZOYCIGS-ZFWWWQNUSA-N 275.392 3.853 30 20 CHED C=CCN(C(=O)Nc1cccc2cccnc12)C(C)C 916707876 ZRQPYWHLYLLFSR-UHFFFAOYSA-N 269.348 3.663 30 20 CHED COc1ccc(C)cc1C=NNc1cc([N+](=O)[O-])ccc1C 747062222 VGXSLWNWDPOYJO-UHFFFAOYSA-N 299.330 3.666 30 20 CHED c1ccc([C@H]2CCCC2=NOCc2cccnc2)cc1 746587651 DJWRQLFUDQKEPQ-MRXNPFEDSA-N 266.344 3.922 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)o2)C1 597902953 CKCXAYZXPONHOU-AWEZNQCLSA-N 294.354 3.712 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccco1 842940530 GBYWXSSASSTVQC-KOLCDFICSA-N 286.356 3.593 30 20 CHED CC1=C(C)C[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)CC1 842676857 OITFNYZWRSDLSW-KBPBESRZSA-N 293.370 3.876 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CCCOc3ccccc32)c1 749749042 UEQJXQJKIJNIRW-PUMYGXPMSA-N 297.354 3.734 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cc(Cl)ccc1O 743450003 KCQSBGCWMIEBHN-UHFFFAOYSA-N 296.157 3.930 30 20 CHED C=CCCSCCN[C@@H]1CCC[C@@H]1CCCF 595060120 RSWGRWUZINUOCK-ZIAGYGMSSA-N 259.434 3.804 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1ccc(C(F)F)nc1 847674394 QTGIVNJCRQSHRF-SNVBAGLBSA-N 269.291 3.921 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](Cc1ccccc1)c1cccs1 593476690 WTOGRDFLHANCEJ-LSDHHAIUSA-N 298.411 3.698 30 20 CHED COc1cccc(O)c1/C=N/C[C@H](C)Oc1cccc(C)c1 741844681 PHOPTKPVILULSS-BXUJETTOSA-N 299.370 3.596 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1nc(C2CC2)cs1)C1CC1 842940488 BDPYGPLICUPSAG-PWWFUAJNSA-N 272.373 3.553 30 20 CHED CCON=C[C@@H](C)c1cccc(Br)c1 747629911 NTVPELYAGVAQSB-SECBINFHSA-N 256.143 3.575 30 20 CHED CCOc1cccc(/C=N/C[C@@H](C)CC(F)(F)F)c1O 840714177 YBRPGFQZQBLMEX-NTOSSWPYSA-N 289.297 3.798 30 20 CHED N#Cc1ccc(N(C(=O)C[C@@H]2C=CCC2)C2CCC2)cc1 598884354 DVRWQCATRFZSGP-CQSZACIVSA-N 280.371 3.800 30 20 CHED C[C@@H](CC#N)N(C)c1ccc(-c2ccc(Cl)s2)nn1 593465106 MJZFDFBYNRCPIT-VIFPVBQESA-N 292.795 3.597 30 20 CHED C=CCCCC(=O)Nc1cc(C(F)(F)F)ccc1N 844163029 SXSQRXLKBLLFIV-UHFFFAOYSA-N 272.270 3.582 30 20 CHED C=CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)(C)C 598866107 MLYYEGYBMRXFMQ-UHFFFAOYSA-N 296.754 3.675 30 20 CHED C=C(C)CONC(=O)c1ccc(C(F)(F)F)cc1Cl 846536140 VDROJZWEERHCJJ-UHFFFAOYSA-N 293.672 3.596 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2nc(Cl)c(C#N)s2)C1 841223902 DZUPVTIYPFAYIW-MRVPVSSYSA-N 297.811 3.823 30 20 CHED CC(C)(C)CN(CCC#N)Cc1coc(C(C)(C)C)n1 929692157 XUAQJTNIBILHOG-UHFFFAOYSA-N 277.412 3.734 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(OC(C)(C)C)cc2)n(C)n1 841486458 FUSLPIQXZRPBFG-FLIBITNWSA-N 298.386 3.802 30 20 CHED COc1ccc(N[C@@H](C)CCc2ccco2)cc1C#N 846745216 FLKIIKMSPCDRCU-LBPRGKRZSA-N 270.332 3.593 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(CCC(C)C)C1CC1 929912009 LSGILEHLXWUNLE-UHFFFAOYSA-N 270.376 3.517 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCc1nc(C2CC2)cs1 924393762 HPTMGAMSHDXTOR-UHFFFAOYSA-N 298.367 3.558 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H](C)[C@H]1C)c1ccccc1 757059337 QMADLWSYCZGFES-UXLLHSPISA-N 284.403 3.581 30 20 CHED COc1ccc(C=NNc2ccc(Cl)cc2)cc1F 751319898 MORPEUAWOLYVDE-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CS[C@@H]1CCC[C@@H](NCC2CCC(C#N)CC2)C1 922095366 BGMZDEYWKZTRDE-NEXFUWMNSA-N 266.454 3.580 30 20 CHED CCCn1nccc1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 853007285 SWZGOUYRALDSDX-YSKWHIJTSA-N 292.382 3.993 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(Cl)cs1 757899202 QRTPLVOPVXWYSC-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CS[C@@H](CN[C@H](C)CC(C)(C)C#N)C(C)(C)C 926135474 GTRXUBLVMPGCPR-NEPJUHHUSA-N 256.459 3.682 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ncc(C#N)cc1C 851145386 WUXQQORAZAYKEK-GJZGRUSLSA-N 284.359 3.553 30 20 CHED C[C@H](C(=O)OCc1ccc(F)c(C#N)c1)c1cccs1 758953521 NJDIPUIKCVKUKA-JTQLQIEISA-N 289.331 3.606 30 20 CHED CC(C)c1ncc(/C=C2\COc3ccccc3C2=O)s1 758422978 LRVCDGWPAOWOEL-YRNVUSSQSA-N 285.368 3.925 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)OC(C)(C)C#N 753990410 MVMQTNQNRWFLFY-QWHCGFSZSA-N 271.360 3.821 30 20 CHED C#Cc1cccc(NC(=S)NCC2(CCC)CC2)c1 759666423 ICRUXDQCJCGHCV-UHFFFAOYSA-N 272.417 3.535 30 20 CHED C#CCCCCN[C@H](c1cccc(C)c1)c1ccccn1 925526831 MFUFAHJDUOUMEA-LJQANCHMSA-N 278.399 3.873 30 20 CHED C[C@@H]1CN(Cc2ccc(O[C@H](C)C#N)cc2)CC(C)(C)C1 753575573 LAXZTLVWLXCPAE-LSDHHAIUSA-N 286.419 3.845 30 20 CHED CCc1ccc(CCC=NO[C@@H]2CCCCO2)cc1 758130563 XARDOSFISQYENP-MRXNPFEDSA-N 261.365 3.711 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1csc2ccccc12 751909636 BWBBOEAMUBAIHO-SNVBAGLBSA-N 295.367 3.592 30 20 CHED C=CCN(C(=O)Nc1cc(-c2ccccc2)on1)C(C)C 754444939 LRYQXDDYOAVVPG-UHFFFAOYSA-N 285.347 3.770 30 20 CHED C#CC[C@@H](N[C@H](C)c1cccc2c1OCO2)c1ccccc1 925638010 WUDOQGBOKHNIRQ-RHSMWYFYSA-N 293.366 3.831 30 20 CHED CCC(Cc1ccc(C(F)(F)F)cc1)=NNC[C@@H](C)C#N 853323474 FGMIIQQDNFEIHE-NSHDSACASA-N 297.324 3.763 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C1/CC[C@H](C)C1 753624678 LRZUIJHWAVTOFH-IXJPEXDMSA-N 287.334 3.523 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C#N)CC(C)C 758969210 LAXOKIJVYYHQAH-JQVXPOPVSA-N 290.794 3.798 30 20 CHED Cc1cccc([C@H](C)C(=O)OCc2cc(F)ccc2C#N)c1 759361203 GZDPYEGMMILSCL-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2cc(O)ccc2O)c1 757466984 AJHISQWRFRDBNT-ALCCZGGFSA-N 268.312 3.611 30 20 CHED C=C[C@H](C)NC(=S)Nc1ccc(Cl)c(Cl)c1 756794390 CSVMKFRPLIOAOE-ZETCQYMHSA-N 275.204 3.854 30 20 CHED C=CC[C@@H]1CCCCC1=NN[C@@H]1CCOC(C)(C)C1 853336320 VOEDCLCEKDVNMQ-ZIAGYGMSSA-N 264.413 3.656 30 20 CHED Cc1ccc(F)cc1NN=C1CCc2cccnc2CC1 853393866 RLEGWPIMIUXWPK-UHFFFAOYSA-N 283.350 3.876 30 20 CHED COc1ccc(NN=Cc2c[nH]c3ccc(C)cc23)cc1 750944902 BPVWDWXVMHRNPV-UHFFFAOYSA-N 279.343 3.931 30 20 CHED CC(C)=C(C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 751364655 RANMLSWPCZZUST-UHFFFAOYSA-N 270.376 3.652 30 20 CHED CC(C)CC(=NNc1ccc(C(=O)O)cn1)c1ccccc1 763368957 RCMQOPFKORPRAG-UHFFFAOYSA-N 297.358 3.642 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2sccc2C#N)C1 931842849 ODKDRCAWVBNAIA-GHMZBOCLSA-N 277.393 3.662 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2cc(F)cc(C)c2C1 935835815 GAXJPEOEIIPCGQ-CYBMUJFWSA-N 275.367 3.621 30 20 CHED Cc1ccc(C=NNc2cccc(Cl)c2F)nc1 761813239 VLZRQQJTPFPWRP-UHFFFAOYSA-N 263.703 3.629 30 20 CHED O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccco1 769771588 QUKPTJDWKNLJEH-VOTSOKGWSA-N 282.324 3.694 30 20 CHED Fc1c(Cl)cccc1NN=C1CC(C(F)F)C1 766023557 ZHQJXTFSHWSAOK-UHFFFAOYSA-N 262.662 3.922 30 20 CHED N#CC1(OC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CCC1 762094452 KAXHJOAHHZHTFE-IRXDYDNUSA-N 291.350 3.933 30 20 CHED CCO[C@@H]1CC(=NOCC(F)(F)F)C12CCCCC2 764839062 HFVWYUDNAIZSBO-LLVKDONJSA-N 279.302 3.681 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1ccoc1 769827232 SDSZDFAEVKTPKJ-UHFFFAOYSA-N 252.676 3.908 30 20 CHED CCCCCCCCCC(=O)NCc1ccns1 862414751 KEQDCANZTOSGLZ-UHFFFAOYSA-N 268.426 3.900 30 20 CHED C#CCCN(C[C@H]1C[C@@H]1c1ccccc1)CC(F)(F)F 768534049 YYWNFFHAVQEQDK-HUUCEWRRSA-N 281.321 3.678 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cc2c(Cl)cccc2s1 767253034 USCSOXZXYWMSNR-VIFPVBQESA-N 277.776 3.648 30 20 CHED C[C@H](OC(=O)[C@@H](F)c1ccccc1)c1ccc(C#N)cc1 769306580 LUYPJZWTJZAUKY-LRDDRELGSA-N 283.302 3.873 30 20 CHED N#CC1(COC(=O)c2[nH]c3ccccc3c2Cl)CCC1 768094485 CRXSRCRLBCUXNH-UHFFFAOYSA-N 288.734 3.672 30 20 CHED O=C(/C=C\c1cccs1)c1ccc(-n2cccn2)cc1 878900348 AQFXEEXBABAMMY-HJWRWDBZSA-N 280.352 3.830 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNc1nc(O)c2ccccc2n1 769585307 NKVMJKYLNXPNOB-NWDGAFQWSA-N 298.390 3.950 30 20 CHED CC(C)(C)ON=C1CCSc2c(F)cccc21 1116404162 CGWYCVUIVDZTLG-UHFFFAOYSA-N 253.342 3.841 30 20 CHED C#CCCN(Cc1cc(F)cc(Cl)c1)CC(F)(F)F 777223221 WLMIQQJAZOFFAM-UHFFFAOYSA-N 293.691 3.867 30 20 CHED CN(C(=O)C[C@@H]1C=CCCC1)c1ccc(C#N)c(Cl)c1 876167889 ZGQKVYCXTLTKMM-GFCCVEGCSA-N 288.778 3.921 30 20 CHED C=C(CC)COC(=O)[C@@H](C)c1c(F)cccc1F 773542910 AMLWNWJTBOOIJU-JTQLQIEISA-N 254.276 3.578 30 20 CHED C#C[C@H](N[C@H](C)c1oc2ccccc2c1C)[C@@H]1CCCO1 775571711 JXANAXDMDYHARL-KMFMINBZSA-N 283.371 3.573 30 20 CHED N#CC1(COC(=O)CCCCCc2cccs2)CC1 775856230 FMVDQTDWRQHBJS-UHFFFAOYSA-N 277.389 3.698 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1cncc(F)c1 777449440 VOYTYAOPEUSVKT-GOSISDBHSA-N 299.393 3.802 30 20 CHED CC(=NOC1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 779789232 ZXRVBDWJZIQOMY-KRWDZBQOSA-N 286.419 3.844 30 20 CHED COc1ccc(NCC#Cc2cccc(Cl)c2)cc1F 772903749 JLWUQCRXXUGKBW-UHFFFAOYSA-N 289.737 3.951 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1OC(F)F 779721329 ZRXIHQTUTSBYNV-UHFFFAOYSA-N 281.302 3.810 30 20 CHED C#CCCCCCC(=O)NCC[C@@H]1CCCC[C@@H]1C 779914509 PCSPSOBCKLRNKB-HOTGVXAUSA-N 263.425 3.903 30 20 CHED CCO[C@@H]1CC(=NNc2ccc3[nH]ncc3c2)C12CCCC2 779811023 BKCKZHODDQDGQZ-MRXNPFEDSA-N 298.390 3.700 30 20 CHED CC(=NOC1CCOCC1)c1cc2cc(C)c(C)cc2o1 774429971 CUXZDQMNUXUZEV-UHFFFAOYSA-N 287.359 3.969 30 20 CHED C#CCCCCCC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 779918723 XTQKLLBUILUJOK-CABCVRRESA-N 263.425 3.996 30 20 CHED N#C[C@H](OC(=O)CC1=CCCCC1)C1CCCCC1 776385419 DULAWOCQRGVPNW-HNNXBMFYSA-N 261.365 3.893 30 20 CHED N#C[C@H](OC(=O)c1cc(N)ccc1Cl)C1CCCCC1 776378428 CDGJXDOJKPHIQI-AWEZNQCLSA-N 292.766 3.551 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc(Cl)c(F)c1 773149768 NRYXGKHYNJFRDP-XGICHPGQSA-N 298.704 3.843 30 20 CHED CCC(C)(C)CC(=O)OCc1ccc(CC#N)cc1 776109827 CXQAWHDXEPLVAJ-UHFFFAOYSA-N 259.349 3.622 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(O[C@H](C)CC)cc1 1121160664 HXXKDEVDFYJCMS-HIFRSBDPSA-N 288.391 3.628 30 20 CHED CC(C)Oc1ccc(C(=O)OCCCC(C)(C)C#N)cc1 781823407 HJQVURCMLFGNNU-UHFFFAOYSA-N 289.375 3.961 30 20 CHED COc1cc(NN=C(C)c2sccc2O)ccc1Cl 788471783 HOXYXVWRPFAIDC-UHFFFAOYSA-N 296.779 3.952 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2)c(N)c1 781175051 QMFBCSXMJWYCDT-CYBMUJFWSA-N 296.326 3.520 30 20 CHED CC(C)(CCC#N)CNC/C=C/c1cccc(F)c1 886117080 ZFYSXJBHGNUZNT-QPJJXVBHSA-N 260.356 3.758 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1ccc(C#N)cc1Cl 788361233 XHDZOOTYDNMVTE-WAYWQWQTSA-N 286.718 3.713 30 20 CHED C#CCC1(C(=O)Nc2ccc(N(C)C)c(C)c2)CCCCC1 788160856 BPQGPFUPCFYWRQ-UHFFFAOYSA-N 298.430 3.973 30 20 CHED CC(C)(C#N)CCCOC(=O)C1(c2cccc(F)c2)CC1 783681245 AILOUNKPTBCZPX-UHFFFAOYSA-N 289.350 3.730 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CCCC2(CCCC2)C1 783851756 AZGQFBVCDRXOLG-HJWRWDBZSA-N 294.398 3.754 30 20 CHED CC1(C)CCC[C@H](NC(=O)/C=C\c2ccccc2C#N)C1 785607452 UMRSFLHXWUQLRQ-YDZSZYSISA-N 282.387 3.656 30 20 CHED C=C1CCC(C(=O)N2CC[C@H]2Cc2ccccc2)CC1 896828163 ZQKWGGJOKCGRMH-KRWDZBQOSA-N 269.388 3.576 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H]2CCCC(F)(F)C2)n1 409668184 IIYBCHVCVJKQRA-LBPRGKRZSA-N 279.334 3.808 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H](F)c1ccccc1 787936545 CKBCPVWDBPBXCN-AWEZNQCLSA-N 276.355 3.628 30 20 CHED Cc1ccc(C)c(/C=C2\Cc3cc(O)ccc3C2=O)c1 780186673 MVHAGMIZEGZGBU-OVCLIPMQSA-N 264.324 3.831 30 20 CHED C=CCC1(O)CCN(Cc2c(C)oc3ccccc23)CC1 895836106 WQGAYMSGSSIUCV-UHFFFAOYSA-N 285.387 3.644 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccccc1O[C@H](C)C#N 780175810 HGWAWDBBBDRLNA-OLZOCXBDSA-N 288.391 3.988 30 20 CHED CC(=NOCc1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 783857236 XTJOLFHNVQNYJR-CYBMUJFWSA-N 287.281 3.777 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798783786 LYUFUDAAVVIYRH-CABZTGNLSA-N 285.265 3.654 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(-c2nc(C)c[nH]2)cc1 898385335 LPFLRFYYTZWQDO-UHFFFAOYSA-N 269.348 3.536 30 20 CHED C[C@H]1CCCCC[C@@H]1NCc1ccc(C#N)c(F)c1 404136218 XIUIKERSTGPRSF-LRDDRELGSA-N 260.356 3.756 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC[C@@H]1CCF 794854916 LGAHOTMAKTXVQS-SNVBAGLBSA-N 265.288 3.522 30 20 CHED C[C@@H](NN=Cc1cscc1Br)C(C)(C)C 793114716 IRAROWLFRYQXDU-MRVPVSSYSA-N 289.242 3.869 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cccc(F)c1F 793180827 BAOODYTUFOGIEH-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CCCCCCCC(=O)Nc1ccc2nc[nH]c2c1 743940622 JTYAJEFGUBLSMN-UHFFFAOYSA-N 259.353 3.862 30 20 CHED CCCCCCCCCC(=O)N(C)c1nnc(C)s1 794019595 QJJWOSFPXDNNGO-UHFFFAOYSA-N 283.441 3.950 30 20 CHED N#CCOc1cc(F)ccc1NC1CCC(C(F)F)CC1 799735358 ZEJFYUBWZMWTGZ-UHFFFAOYSA-N 298.308 3.964 30 20 CHED CN(C)c1ccccc1CNN=Cc1cc2ccccc2o1 794956004 FOTVGLFWXWGGIS-UHFFFAOYSA-N 293.370 3.623 30 20 CHED C[C@]1(C=NNc2nccc3sccc23)CCCS1 792977727 NEYRTPPQRTXVDR-CYBMUJFWSA-N 277.418 3.980 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC(C(F)F)CC2)n1 799481593 YEODUWNHDPSSTF-UHFFFAOYSA-N 288.729 3.662 30 20 CHED Cc1ccnc(NN=C2CCC[C@@H](c3cccnc3)C2)c1 799881028 KRETXJSBVNBTMO-CQSZACIVSA-N 280.375 3.911 30 20 CHED CC(C)=CCOC(=O)c1ccc(C(C)(C)C#N)cc1 796808579 JNWOZVJWAXTZBO-UHFFFAOYSA-N 257.333 3.611 30 20 CHED COc1cc(/C=C2\COc3cc(F)ccc3C2=O)ccc1C 794726660 DEZSFGDWGYPUTN-NTUHNPAUSA-N 298.313 3.801 30 20 CHED COc1cccc(C=NN[C@H](C)c2ccccc2)c1F 799877204 QIMILHOANUQQQG-GFCCVEGCSA-N 272.323 3.519 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714395148 QJDVNOZDIRTWNO-LVQVYYBASA-N 261.409 3.511 30 20 CHED CCCCCCCCNC(=O)N1CCCC[C@@H]1C[C@H](C)O 790792440 DLFQKNJZTRZXHB-JKSUJKDBSA-N 298.471 3.682 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc(C)c(C)c1 798376435 YQIBUIFBTIKFOO-ZDUSSCGKSA-N 262.422 3.945 30 20 CHED N#CC[C@@H](CC(=O)OC/C(Cl)=C/Cl)c1ccccc1 795993000 RZTCMIFFHWGVBP-VWLVURMCSA-N 298.169 3.936 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1SC(C)C 593527367 RHDVQFQARSPICP-LLVKDONJSA-N 262.378 3.675 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 695731410 SYDQGUWAZVTYQU-SDDRHHMPSA-N 288.778 3.976 30 20 CHED C#CCN(C(=O)c1sc2ccccc2c1Cl)C1CC1 763799952 FLAIRTANMMFGRN-UHFFFAOYSA-N 289.787 3.793 30 20 CHED C[C@H](Nc1cncc(C#N)n1)c1ccccc1C(F)(F)F 1159641772 NOSZYCNWDFSETI-VIFPVBQESA-N 292.264 3.540 30 20 CHED COc1ccc(C[C@H](C)N(C)Cc2ccccc2C#N)cc1 1318089429 SQLGFPGWYVFOKD-HNNXBMFYSA-N 294.398 3.630 30 20 CHED Cc1cccc(C=NNCc2ccc(F)cc2)c1C 1319179727 IVHRQAHGJRSWST-UHFFFAOYSA-N 256.324 3.566 30 20 CHED CCN(Cc1ccccc1F)C(=O)C1(C#N)CCCCC1 1318002189 MSYQKYGICDSSET-UHFFFAOYSA-N 288.366 3.648 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2c(F)cccc2Cl)C1 1322130587 VZFHIHLRHDJSQY-RYUDHWBXSA-N 280.774 3.694 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NNCc1ccccc1 1328502532 PVQUSOWOTXKCEG-CYBMUJFWSA-N 280.371 3.702 30 20 CHED CC(C)CC(C)(C)CNC(=O)CC#Cc1ccccc1 1252967691 MLUGICCDEDGIFI-UHFFFAOYSA-N 271.404 3.617 30 20 CHED N#CC1CCN(c2cc3ccc(F)cc3c(Cl)n2)CC1 1331100049 OMAGEBPXQXYHDA-UHFFFAOYSA-N 289.741 3.767 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1nc2ccccc2n1CC 1335765643 MVMYJVVQUSWPAQ-CYBMUJFWSA-N 285.391 3.590 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)c1cncs1)c1cccs1 1343907402 XGBRCUOURUSEMG-JOYOIKCWSA-N 292.385 3.652 30 20 CHED Cc1ccc(C2(C(=O)O[C@H]3CC[C@H](C#N)C3)CCC2)cc1 1263385265 NXJONYBBOLZMMT-HOCLYGCPSA-N 283.371 3.652 30 20 CHED C=C(Cl)COC(=O)c1cc2cc(F)ccc2s1 804332542 LPNPHFXZADEXSK-UHFFFAOYSA-N 270.712 3.950 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)s1 1436536083 FRIPHKIPWGEPSB-NWDGAFQWSA-N 276.405 3.566 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CC[C@@H](C)C[C@H]1C 1360578207 ZSVWOJMDAMQEIL-XHBSWPGZSA-N 271.360 3.848 30 20 CHED N#Cc1ccc(OCCOc2c(F)cccc2Cl)cc1 215520062 NUFKRZADNYYMMV-UHFFFAOYSA-N 291.709 3.809 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N(CCC#N)CC1CC1 1293063423 CVLFZVVIDSKYIB-GOSISDBHSA-N 298.430 3.716 30 20 CHED Cc1cc(C(=O)OCc2ccc(CC#N)cc2)cc(C)c1F 1527007208 BTIQNVABNSFRAP-UHFFFAOYSA-N 297.329 3.866 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)c(C)c1 1525018877 JETIUXCUZBWCTD-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#CCCS[C@@H](C(=O)O)c1cccc(Cl)c1Cl 1601068642 KMCDTBQYVJAMGD-SNVBAGLBSA-N 290.171 3.766 30 20 CHED Cc1cc(NC(=O)c2cccc(F)c2C#N)ccc1Cl 1469616044 XXMDGKNAMJAPEQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(Nc2ccc(C(=O)O)nc2C#N)ccc1C1CC1 1600284577 CNXXXOQRIDWNCI-UHFFFAOYSA-N 293.326 3.581 30 20 CHED CCCCCCCC(=O)N(CC(=O)O)c1cccc(F)c1 1605267221 TXCNBTNIMCMWHH-UHFFFAOYSA-N 295.354 3.604 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2cc(Cl)cs2)c1 1602549836 CNDHEWJJBNASGE-OWOJBTEDSA-N 282.704 3.589 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc(C#N)c(Cl)c1 1460709631 MONHRFXVJAXDIT-MEDUHNTESA-N 290.794 3.910 30 20 CHED CCC[C@@H](NCc1cc(C#N)ccc1OC)C(C)(C)C 1617987507 PDUXADMGPKXCIZ-MRXNPFEDSA-N 274.408 3.871 30 20 CHED COc1ccc(NC(=O)C(C)(C)CC(C)C)cc1C#N 1535536841 OQGPRZRFDMBQQN-UHFFFAOYSA-N 274.364 3.578 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(-c2nc(C)no2)ccc1C 1548628739 UGPHOPKGWHYNTE-UHFFFAOYSA-N 299.374 3.894 30 20 CHED C=C(Cl)CN(Cc1ccnc(OC(C)C)c1)C1CC1 1616389196 IXTGCRLVTUJCSQ-UHFFFAOYSA-N 280.799 3.586 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 1543533899 YHVDGDXDPSBRSI-DZGCQCFKSA-N 298.386 3.772 30 20 CHED CC[C@H](C)CCC(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1628458432 LNSQENOXWQZUQA-JTQLQIEISA-N 284.363 3.508 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1cc(Cl)ccc1F 1559681521 JPGQHMBHJNXKHL-VHSXEESVSA-N 254.736 3.822 30 20 CHED Cc1cccc2[nH]c(CNc3cccc(C#N)c3)cc12 1620876278 OUFHBBRIXLIIQC-UHFFFAOYSA-N 261.328 3.960 30 20 CHED C#CCCCCC(=O)Nc1cccc(Cl)c1N(C)C 119624248 FLYOTOCQDQCMFC-UHFFFAOYSA-N 278.783 3.538 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)cc2F)CC(C)(C)C1 1633507592 JJHLBYSMHOKERB-UHFFFAOYSA-N 288.366 3.596 30 20 CHED Cc1ccc(Br)cc1CN(C)CC(C)(C)C#N 258855787 FAMYXVDADREEJC-UHFFFAOYSA-N 295.224 3.739 30 20 CHED CC1(C)CC(C(=O)N(CCC#N)CC2CC2)CC(C)(C)C1 1632948222 TUZCAZPNUZKDGX-UHFFFAOYSA-N 290.451 3.991 30 20 CHED CN(Cc1cccc(C#N)n1)[C@@H]1CCC[C@@H]1C(C)(C)C 1560893519 PKUPHXTUWWZHFW-JKSUJKDBSA-N 271.408 3.600 30 20 CHED Cc1ccnc(SCc2cc(F)ccc2C#N)c1 1656864110 SZFUWZAKBTWJEI-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#Cc1ccc(N2CCN(CCCC3CCCC3)CC2)cc1 1659828678 MBRLWWSJLNOPRQ-UHFFFAOYSA-N 297.446 3.651 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H]1CCCN1C1CCCCC1 1659026301 TZDDUHYENBVWKA-DOTOQJQBSA-N 291.483 3.701 30 20 CHED CCC(C)(C)C1CCC(N=c2cc[nH]cc2C#N)CC1 1654950755 OBEUSGZTUYUFQJ-UHFFFAOYSA-N 271.408 3.782 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(SC)c(C(=O)O)c1 1588605806 NQSXQSJMMXBNBW-UHFFFAOYSA-N 293.388 3.648 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)c(F)cc1F)c1ccccc1 1595653171 QQHQEUIOBUKYOK-JTQLQIEISA-N 286.281 3.579 30 20 CHED O=C(O)c1cc(NN=C2CCCCCC2)ccc1F 1776061502 ZNDXXOUWODISEL-UHFFFAOYSA-N 264.300 3.646 30 20 CHED CC(C)CC[C@@H]1CCC(=NNc2ccc(C(=O)O)nc2)C1 1776071299 PVFJCWZXVLABLB-GFCCVEGCSA-N 289.379 3.784 30 20 CHED N#Cc1cc(SCc2ccc(Cl)cc2)ccn1 5933275 FBIFAOLURVRSNW-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Cc1ccc([C@@H](CC(=O)O)/N=C(\O)[C@@H]2CC=CCC2)cc1 13181614 FTCACNYGFFWKSQ-HUUCEWRRSA-N 287.359 3.824 30 20 CHED Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 15682872 MFYJRZLAOROMQZ-AWEZNQCLSA-N 294.354 3.581 30 20 CHED CN(C)c1ccccc1NC1CC(C#N)(c2ccccc2)C1 158465236 MLBXYGAYHRWGQN-UHFFFAOYSA-N 291.398 3.788 30 20 CHED COc1ccc(C#N)cc1CSc1ccc(C)cn1 151508281 MOFAAPJKTFIHJF-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CSCCCCC(=O)N[C@@H](CCC#N)c1ccccc1 153346880 PKTRQOGVSOKYIT-HNNXBMFYSA-N 290.432 3.681 30 20 CHED Cc1ccc(F)c(CN(C)Cc2cc(C#N)ccc2F)c1 155399416 KNYMWKKVBIOILL-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=CCCSCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 154970783 RXOQKJLEPXUMDF-NSHDSACASA-N 299.386 3.794 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1ccc(O)cc1 6338475 ZDCDNAICEKQHNV-CMDGGOBGSA-N 260.239 3.567 30 20 CHED C=C(C)CCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C 834883927 VDODUDXCAOXWGG-HUUCEWRRSA-N 296.455 3.578 30 20 CHED CC[C@](C)(C#N)C(=O)NCCc1ccc(Cl)cc1Cl 136178962 OKBUGLYBEMZXDR-CQSZACIVSA-N 299.201 3.592 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)cc1 50266867 DNFIPEOJJVVROB-SFHVURJKSA-N 262.356 3.548 30 20 CHED Cc1cc([C@H](C)NCc2cccc(C#N)c2)cs1 294286907 TWCNUSHSJUYJOQ-LBPRGKRZSA-N 256.374 3.779 30 20 CHED C=CCCOCCNCC1CCC(C(F)(F)F)CC1 183754899 KDGOTZDMCWNFGU-UHFFFAOYSA-N 279.346 3.537 30 20 CHED N#Cc1ccc(CNc2nc(C(F)(F)F)cs2)cc1 301703706 AOESMXIHWGEZKO-UHFFFAOYSA-N 283.278 3.646 30 20 CHED N#CCOc1ccc(CNCc2ccsc2Cl)cc1 312757426 DSEZHHSPRHCUDX-UHFFFAOYSA-N 292.791 3.594 30 20 CHED CCC[C@@H](C#N)NC(=O)C1(c2cccc(Cl)c2)CCC1 611286136 AEDBUCFDECZCJO-AWEZNQCLSA-N 290.794 3.570 30 20 CHED CCS[C@@H]1CCC[C@@H]1NCc1ccc(CC#N)cc1 348531232 LWENTYJHEKWFMO-JKSUJKDBSA-N 274.433 3.516 30 20 CHED N#C[C@H](/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)C1CC1 329062070 JWTBHCZLJIULBZ-MYPMTAMASA-N 260.381 3.852 30 20 CHED CC[C@H]1CCC[C@@H](NCCc2cccc(C#N)c2)C1 466425849 PSLQICZNRSQVHB-WMLDXEAASA-N 256.393 3.659 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N2CCC(C)(C#N)CC2)C1(C)C 334701741 LFDJJAHHSHGKJW-GUYCJALGSA-N 276.424 3.601 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC(OC2CCC2)CC1 334938646 CZRRVWJZZVSSAX-UHFFFAOYSA-N 290.794 3.750 30 20 CHED Cc1cncc(CNc2ccc(Cl)cc2C#N)c1 340572114 IUJMXKZQPCONOF-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CCN(Cc1cccs1)c1ncc(C#N)cc1Cl 358878266 JJLUMJWODIOVCM-UHFFFAOYSA-N 277.780 3.695 30 20 CHED C#CCCCCC(=O)Nc1ccc(C(F)F)cc1 692947088 XZPLZDURHMJUIH-UHFFFAOYSA-N 251.276 3.756 30 20 CHED C[C@H]1CSC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 381668011 PJNCAXPVMCDBHB-QPUJVOFHSA-N 286.322 3.740 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccccc1CC 804833780 KYEIENBWUCKVOI-UHFFFAOYSA-N 277.367 3.525 30 20 CHED C=CC[C@H](CC)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 393855335 SHSYJKWKSKVHPE-UONOGXRCSA-N 287.325 3.683 30 20 CHED CC(C)(C)c1cc(C(=O)OCC#N)cc(C(C)(C)C)c1O 6122228 NPJFVOOMLHTANB-UHFFFAOYSA-N 289.375 3.668 30 20 CHED Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1 55568408 OLLHRGSLEJJFDO-UHFFFAOYSA-N 294.354 3.930 30 20 CHED Cc1sc2ncnc(NN=C3CCCC3)c2c1C 8284607 IGTWZSMUAYWZAG-UHFFFAOYSA-N 260.366 3.650 30 20 CHED Cc1ccc2c(COc3cccc(C#N)c3)cc(=O)oc2c1 8509604 CGHLAFFLXWPLPS-UHFFFAOYSA-N 291.306 3.552 30 20 CHED CC(C)(C#N)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 119957189 DTPPXVFEHJMHHM-IRXDYDNUSA-N 281.403 3.698 30 20 CHED CCCCCCC[C@H](C)NCCc1nnc2ccccn12 59090169 KBGHSOBAQWFTOV-HNNXBMFYSA-N 288.439 3.610 30 20 CHED N#Cc1ccc(OCc2ccc(OC(F)F)cc2)cc1 60423135 IAZLTHZKYCFXNL-UHFFFAOYSA-N 275.254 3.739 30 20 CHED C=CCN(CCc1ccccc1)Cc1c(C)noc1C 65959763 JDVGTOCOTICUPE-UHFFFAOYSA-N 270.376 3.522 30 20 CHED C=CCOc1cccc(NC(=O)N(C)C[C@H](C)CC)c1 111736652 IGOGYHARJGQSDO-CYBMUJFWSA-N 276.380 3.761 30 20 CHED CC(C)(C)C(=O)CCCC(=O)O[C@H](CC#N)c1ccco1 1345546189 CEKIOKVCZYSBKP-CYBMUJFWSA-N 291.347 3.563 30 20 CHED Cc1ccc(N/C(N)=N/CCc2cc(C)cc(C)c2)cc1 304758425 PZGRXWUZFQYRLW-UHFFFAOYSA-N 281.403 3.581 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 174014608 QJUSMPXEIAFHEY-JHJVBQTASA-N 282.343 3.830 30 20 CHED CCC[C@H](C)CC(=O)N[C@](C)(C#N)CCc1ccccc1 110840512 QTQVCOBDUSPOSX-YJBOKZPZSA-N 286.419 3.844 30 20 CHED CC(C)[C@@H](C#N)OC(=O)/C=C/c1cnc(C(C)(C)C)s1 176030424 UJJKGGQULGXIEL-NNNHXZLVSA-N 292.404 3.545 30 20 CHED N#CCN(C[C@H]1CCCC(F)(F)C1)C1CCCC1 302543590 YXUCQGGEGGAOHD-LBPRGKRZSA-N 256.340 3.580 30 20 CHED N#CCC[C@@H](C#N)COc1cccc2ccccc12 119246006 BFHCVBHIOLJHDY-ZDUSSCGKSA-N 250.301 3.662 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Sc1ccccc1Cl 116851962 YRYRUYXSRMUNLV-WDEREUQCSA-N 283.824 3.901 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C/C1CCOCC1 112184216 JJQIQQVOIWMZQI-CMDGGOBGSA-N 291.435 3.564 30 20 CHED CCOc1cc(/C=C/C(=O)c2cccc(C)c2)ccc1O 23164367 AWOSTULVXUQLPN-VQHVLOKHSA-N 282.339 3.995 30 20 CHED C#C[C@H](C)OC(=O)c1csc(-c2ccc(Cl)cc2)n1 174473596 ZCCSGGQLIMZUDJ-VIFPVBQESA-N 291.759 3.642 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1Cl 176860431 QBSBLIYTGNCVBX-SECBINFHSA-N 290.775 3.764 30 20 CHED C#CCCCNC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 174086138 CNJFZNGDJFWEPO-CQSZACIVSA-N 298.386 3.939 30 20 CHED C=CCC[C@@H](NCc1ccnc(N2CCCCC2)c1)C1CC1 120271243 RXIGDCBRHAQPGU-GOSISDBHSA-N 299.462 3.906 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1sccc1C#N 1264108155 WTLMTVWFDJDXOJ-NSHDSACASA-N 270.357 3.670 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1cnn(CC)c1 69914108 IZTMZLHZPINOIV-UHFFFAOYSA-N 290.411 3.503 30 20 CHED C[C@H]1CCCN([C@@H](C)CNc2ccc(C#N)c(Cl)c2)C1 303542296 YRUIAEPCXSQWQD-STQMWFEESA-N 291.826 3.744 30 20 CHED CC(=O)Nc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1C 182567201 JLONDWRZPXGPLZ-ZDUSSCGKSA-N 293.370 3.998 30 20 CHED C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(C#N)cc1 31437516 UMDDWNRFRTXAGS-LBPRGKRZSA-N 298.773 3.632 30 20 CHED C=CCC[C@@H](C(=O)N(C)c1nccs1)c1ccccc1 186636560 OEJHPFGDSFDFFK-CQSZACIVSA-N 286.400 3.856 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@]1(C)C(C)C 185731798 MNXDNTBQTKMBFA-MJGOQNOKSA-N 296.414 3.755 30 20 CHED C=CCN1CCC(c2ccccc2Br)CC1 217243591 OMAMIGRGAFODFF-UHFFFAOYSA-N 280.209 3.815 30 20 CHED C[C@H](OCCCN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 185761605 HSKWNKPVFVYGNR-XYJFISCASA-N 286.419 3.826 30 20 CHED CCC(CC)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416111042 UECBOUPJZUTUFJ-QGZVFWFLSA-N 284.403 3.878 30 20 CHED N#Cc1cccc(OCc2cccc(F)c2Cl)c1 124058109 PZNDSNVHTDQKRS-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C[C@]1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC=CCC1 416096692 IFHXKAOWVHTDCE-MJGOQNOKSA-N 294.398 3.798 30 20 CHED CN(C(=O)NCCCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 413435153 GVDTWJWSBJWNHU-DLBZAZTESA-N 299.418 3.658 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(Cl)cc1Cl 120726180 DBASEJWSRGRPDD-ZDUSSCGKSA-N 285.174 3.661 30 20 CHED CCN(CCCc1ccc(Cl)cc1)C[C@H](C)C#N 77269164 XZFNDDFDTPKKBB-CYBMUJFWSA-N 264.800 3.754 30 20 CHED C=C(C)[C@@H](NCC[C@H]1CCCN1C)c1ccc(F)c(F)c1 187773738 UBGVSQNANALHOA-RHSMWYFYSA-N 294.389 3.656 30 20 CHED CC[C@@H]1CCCN(c2cc(C(F)(F)F)cnc2C#N)C1 413096583 QOYIORDOKWZTJK-SNVBAGLBSA-N 283.297 3.598 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(CC)(CC)CC1 186898977 CURALFAQGQXJGT-CYBMUJFWSA-N 252.402 3.563 30 20 CHED N#Cc1cccc(SCCCO[C@H]2CCCCO2)c1 185085451 AAMXGIWPKGUKTJ-HNNXBMFYSA-N 277.389 3.584 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1nccnc1C 414311944 ZBOVOZISVJUBPA-WBVHZDCISA-N 281.403 3.623 30 20 CHED C[C@H](CN(C)C[C@@H](C)C#N)c1cccc(Br)c1 509782657 MHXFZWSGMWJMRU-NWDGAFQWSA-N 295.224 3.644 30 20 CHED C=C[C@H](CC)OC(=O)Cc1c[nH]c2cccc(C)c12 181231328 YGWFDDJHCOHUDI-CYBMUJFWSA-N 257.333 3.527 30 20 CHED N#CCCN(CCC#N)Cc1ccc(-c2ccccc2)o1 180041789 FWYCNISJMBSPLF-UHFFFAOYSA-N 279.343 3.576 30 20 CHED CCCC(C)(C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419645181 PFYNXAKFQBPSJV-MRXNPFEDSA-N 299.418 3.814 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 79636594 VKQQHTQOXXGTIW-TZMCWYRMSA-N 276.380 3.511 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1Cl 521827016 WOUTZUZYYVLOOQ-OUJBWJOFSA-N 274.751 3.586 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccccc2n1CC 410119917 FIJXJVWMDOYVRN-CQSZACIVSA-N 270.376 3.746 30 20 CHED Cc1nnccc1N=C(O)[C@H]1CCC[C@@H](C(F)(F)F)C1 329459100 RHEIPXNUGJLPBY-VHSXEESVSA-N 287.285 3.742 30 20 CHED C[C@@H]1C[C@@H](/N=C(/O)CCc2ccc3[nH]ccc3c2)CCO1 329216915 PHAXMCRHFXSPCQ-DOMZBBRYSA-N 286.375 3.625 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2c(Cl)cccc2Cl)C1 612364198 FWGOVBCPWBIPNQ-AWEZNQCLSA-N 297.185 3.759 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cnc(C)s1 414541028 VODOLNZNOAQORZ-OAHLLOKOSA-N 272.417 3.729 30 20 CHED N#CCCSCc1ccc([N+](=O)[O-])cc1C(F)(F)F 413017615 ZKRSBVZSWHOVSO-UHFFFAOYSA-N 290.266 3.760 30 20 CHED CCC[C@@H](CCc1ccccc1)NC(=O)C1(C#N)CCCC1 130285066 XHFMEZDUQMKROA-KRWDZBQOSA-N 298.430 3.988 30 20 CHED Cc1cccc2nc(COc3ccc(C#N)c(Cl)c3)cn12 190254456 WHFFOLAOXKWWFQ-UHFFFAOYSA-N 297.745 3.747 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2ccc(F)cc2)CCC1 42706251 KFGJLYHEBHWUOU-UHFFFAOYSA-N 275.367 3.672 30 20 CHED C#CCCCC(=O)Nc1nc(-c2ccccc2F)cs1 192220853 DCKQPNJRRXBRAI-UHFFFAOYSA-N 288.347 3.691 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 133202546 QEYVDUNSHYKBPB-ZIAGYGMSSA-N 281.403 3.616 30 20 CHED Cc1ccc(CN(C)Cc2cc(C#N)ccc2F)cc1C 428930113 LKIUOEQANZDVAB-UHFFFAOYSA-N 282.362 3.946 30 20 CHED O/C(=N/[C@@H]1CSc2ccccc21)c1ncoc1C1CC1 328888455 POSIVLJMDURDTD-LLVKDONJSA-N 286.356 3.704 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(CCCSCC#N)C1 80629356 DIQPOXVBDDYQPM-CZUORRHYSA-N 292.423 3.855 30 20 CHED N#CCCC1CCN(CCOc2ccc(Cl)cc2)CC1 516178986 RIAZVUUWLDDOGY-UHFFFAOYSA-N 292.810 3.735 30 20 CHED COc1ncc(/C(O)=N/CC2(C3CC3)CCC2)cc1Cl 328887932 PUFHIONUMCUXNR-UHFFFAOYSA-N 294.782 3.629 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 425428870 XFRRDSUYWVJJFN-CPUCHLNUSA-N 299.418 3.839 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1OC 229692255 WUWVLBFACOAOLE-CYBMUJFWSA-N 290.407 3.684 30 20 CHED C[C@H]1CC[C@H](N(C)CC#Cc2ccccc2Cl)C1 429566790 LQCATHYOCWJSRW-ZFWWWQNUSA-N 261.796 3.812 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)CC 190740322 NHDQJLHHEQZTCR-UHFFFAOYSA-N 299.418 3.692 30 20 CHED CCC(C)(C)NC(O)=Nc1cc(Cl)c(Cl)cn1 331152373 IIOVIIWMNHMILK-UHFFFAOYSA-N 276.167 3.712 30 20 CHED Cc1cnc(N[C@@H]2CC[C@H](C#N)C2)nc1-c1ccccc1F 425272649 LSLPHLXETZCJBS-QWHCGFSZSA-N 296.349 3.695 30 20 CHED C=CCCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 338659875 APWDJYFEAKWESW-INIZCTEOSA-N 255.361 3.631 30 20 CHED Cc1noc([C@@H](C)/N=C(/O)c2sccc2C(C)C)n1 330399898 RPQMPLJOKJQXRP-MRVPVSSYSA-N 279.365 3.629 30 20 CHED CC(C)(C#N)CNC(=O)C1(c2cccs2)CCCCC1 330814908 NAPJQOUOONTPDS-UHFFFAOYSA-N 290.432 3.616 30 20 CHED C=CCN(CC=C)C(=O)CSc1ccc(C)cc1C 97603218 GSZRHLZYIGHNPD-UHFFFAOYSA-N 275.417 3.596 30 20 CHED C[C@H](Sc1ccc(C#N)cn1)c1ccc(C#N)cc1 336580508 GYSWHIDRUJHQKQ-NSHDSACASA-N 265.341 3.678 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)[C@H](C)C1CCCCC1 512730136 PJWWPWLWJZPCJQ-RHSMWYFYSA-N 281.440 3.642 30 20 CHED CC1(C#N)CCC(N[C@H]2CSc3ccccc32)CC1 336219816 XYCLSXVQTACDJF-UGWHAMFMSA-N 272.417 3.895 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1cccc(C#N)c1C 337752299 JTNPKANDLWXOOG-UHFFFAOYSA-N 292.382 3.919 30 20 CHED N#Cc1ccc(Oc2ccc(C(F)(F)F)c(C#N)n2)cc1 334707930 PMXRFYDIQUQHTL-UHFFFAOYSA-N 289.216 3.636 30 20 CHED C=CCN(CCOc1cccc(Cl)c1)C(C)C 917070546 DYULMDYZCMLYFT-UHFFFAOYSA-N 253.773 3.615 30 20 CHED Cc1cc(C)c(CNC(=O)[C@@]2(C#N)CC23CCCC3)c(C)c1 333168728 JTSXODBQSWLOTB-IBGZPJMESA-N 296.414 3.702 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc2c(C)c(C)ccc2[nH]1 435732702 RFBFXRIODQBHCX-KXBFYZLASA-N 298.430 3.856 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(C)cc2)cc1 98064086 DRHSZWYLZYWQPG-GHXNOFRVSA-N 279.339 3.850 30 20 CHED CC[C@@H](c1ccc(C#N)cc1)N1CCC(CCOC)CC1 527933650 HHAVWNNPGKKTHU-SFHVURJKSA-N 286.419 3.758 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)c1cc(C#N)oc1C 529799804 GVTUDENYGRHSDR-HNNXBMFYSA-N 296.370 3.601 30 20 CHED Cc1cc(CNc2cc(C#N)ccc2OC(C)C)sn1 602592391 QWNGNJHWLNKVFP-UHFFFAOYSA-N 287.388 3.723 30 20 CHED N#CCSCC(=O)Nc1ccc2oc3ccccc3c2c1 603614930 YMQBOQDCZYMRPM-UHFFFAOYSA-N 296.351 3.781 30 20 CHED N#C[C@@H]1CC[C@H](n2cc(-c3ccc(Cl)s3)nn2)C1 600812368 CEFKNWWVIRBTLG-BDAKNGLRSA-N 278.768 3.525 30 20 CHED N#CC1(CNCCc2cccc(C(F)(F)F)c2)CCCC1 600174978 XFIDCXWNJCDZGW-UHFFFAOYSA-N 296.336 3.921 30 20 CHED N#Cc1ccc(NC[C@H]2CCc3ccccc3N2)c(F)c1 525192528 VIBBBTXQDMCKKU-CQSZACIVSA-N 281.334 3.536 30 20 CHED COc1cc(C#N)ccc1CN1CCSc2ccccc21 347306061 LQGGQSWFCGQELW-UHFFFAOYSA-N 296.395 3.679 30 20 CHED C=CCCOCCCCC(=O)Nc1c(C)cc(C)nc1C 344440673 VVTLKEMKYOEGDZ-UHFFFAOYSA-N 290.407 3.708 30 20 CHED C=CCCC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 522575283 NKEOCUJQQJATHY-UHFFFAOYSA-N 284.186 3.844 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1nccc(C)c1C#N 343511980 NGUCBBLZTAOVMG-WBMJQRKESA-N 299.349 3.589 30 20 CHED N#Cc1cccc(SCC#Cc2ccc(F)cc2)c1 433388553 MSXOXLLVDODYBK-UHFFFAOYSA-N 267.328 3.841 30 20 CHED N#Cc1cccc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)n1 602677145 UXINZRCBSSXSDG-NNUKFRKNSA-N 297.789 3.642 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1nc(C2CCCCC2)no1 602643779 KVLUXYKGTPBGIV-STQMWFEESA-N 290.411 3.708 30 20 CHED N#Cc1ccnc(NCc2cccc3ccccc23)c1 52062436 WNNXCTIPKFXVOR-UHFFFAOYSA-N 259.312 3.719 30 20 CHED Cc1ccsc1CN(C)CC(C)(C)CCC#N 349543432 FRSFULBWFWRCAN-UHFFFAOYSA-N 250.411 3.818 30 20 CHED C=CCCOCC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 607529804 HRFFQNCUXPWMBF-QGZVFWFLSA-N 287.403 3.641 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C[C@@H]1C=CCCC1 602386818 MLDQRIOVSCFIFZ-CQSZACIVSA-N 286.350 3.737 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1 255376701 JGFFTWZEDIZYFB-FPLPWBNLSA-N 282.368 3.582 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 609034594 YGKZOKPTGXUPHC-MSOLQXFVSA-N 298.430 3.966 30 20 CHED N#Cc1ccc(Cl)cc1OCc1cccc2c1CCOC2 600861370 NTLYYDNARGTIDA-UHFFFAOYSA-N 299.757 3.863 30 20 CHED C=CC[C@H](CO)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 354022586 QQFAMUGKYKQUBY-KSSFIOAISA-N 289.394 3.536 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCCCC2=O 356059398 PPSVBGRIQQGJJP-MRXNPFEDSA-N 297.398 3.776 30 20 CHED C=CCCS[C@@H]1CCN(c2cccc(Cl)c2)C1=O 531171471 YEIPBYIRYQZUAX-CYBMUJFWSA-N 281.808 3.755 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1ccc2n[nH]cc2c1 353186875 DNBNIAYWRHPHEN-GFCCVEGCSA-N 270.380 3.543 30 20 CHED C=CCC[C@H](NC(=O)NC(C)(C)CF)c1ccccc1 353237774 NYCUIWFNZRDRHU-AWEZNQCLSA-N 278.371 3.741 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 357663106 QQJBOWGTDUTCKR-HUUCEWRRSA-N 297.289 3.574 30 20 CHED C=CCN(Cc1ccc(OC)c(O)c1)c1ccccc1 351493541 LUAMLPPSAJNXNH-UHFFFAOYSA-N 269.344 3.593 30 20 CHED CC(C)CCC(=O)Nc1cc(C#N)ccc1NC1CC1 355404500 WFOZHAPPLGDYTL-UHFFFAOYSA-N 271.364 3.507 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(Cl)c(C#N)c2)C1 537580241 BCYUHQLHWHJTJR-RYUDHWBXSA-N 290.794 3.862 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccn1C 350654869 IEGNHEHETXRXSR-UHFFFAOYSA-N 281.403 3.555 30 20 CHED Cc1sccc1CN(CCC#N)CCC(C)C 351403331 ZAPZBWVUNRCYHJ-UHFFFAOYSA-N 250.411 3.818 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)C1CC1 357485175 DTTGRKAJSDHYCL-UHFFFAOYSA-N 288.778 3.541 30 20 CHED C[C@@H](N[C@H]1CCC(C)(C)C1)c1ccc(C#N)c(F)c1 537405205 WWQVRHXGHVCDAB-RISCZKNCSA-N 260.356 3.927 30 20 CHED CC(C)(C)OC1CC(CCN[C@@H]2CCC[C@H](C#N)C2)C1 446976388 WFGMKPADOVXSEY-PWUWZPNHSA-N 278.440 3.642 30 20 CHED N#Cc1ccc(NCc2c(F)c(F)cc(F)c2F)cc1 610589178 SWEBZEICCJDEDE-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C=C(C)[C@@H](Cc1nc(C2CCC(C)CC2)no1)OCC 356217192 KZZXLPOTACIFSE-JXQTWKCFSA-N 278.396 3.887 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)CCCc1c[nH]c2ccccc12 267548359 XJLLPSLXGYUKSE-MRXNPFEDSA-N 297.402 3.545 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1N=c1c(C#N)c[nH]c2ccccc12 610280208 HAZWYZZXGKNMMU-AZUAARDMSA-N 299.377 3.670 30 20 CHED CC(C)c1ccc(/C=N/OCc2nccn2C(F)F)cc1 267515412 DDUFLTWFOQJJHM-DJKKODMXSA-N 293.317 3.952 30 20 CHED C=CC[C@H](C)NC(=O)N(Cc1ccc(F)cc1)CC1CC1 265426707 LTLCNVYJSQYRBH-ZDUSSCGKSA-N 290.382 3.712 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1c1cc(C#N)ccn1 450603662 USWRYKXJUJFUQJ-KEYYUXOJSA-N 277.371 3.724 30 20 CHED CC(C)(C#N)CNC(=O)Nc1ccccc1OC(C)(C)C 611621375 ZNCRMVNFEBPZSC-UHFFFAOYSA-N 289.379 3.535 30 20 CHED C[C@H]1CC=C(C(=O)Nc2cc(C#N)ccc2NC2CC2)CC1 456010031 BJZGZQBOELHXIC-LBPRGKRZSA-N 295.386 3.817 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3ccccc32)cc1Cl 619747018 YYELFNWWKVEXFI-KRWDZBQOSA-N 282.774 3.989 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@@H](C)c1ccc(F)cc1F 611030140 PABRLJRXMXEKOI-DGCLKSJQSA-N 294.345 3.513 30 20 CHED CO[C@H](c1ccccc1Cl)[C@@H](C)NCCC(C)(C)C#N 538691440 OOQQPUVEJVBEOS-DOMZBBRYSA-N 294.826 3.945 30 20 CHED Cc1cc(C)cc(-c2nnc(SCC3(C#N)CC3)o2)c1 611231956 DNDNARMLAFUDOW-UHFFFAOYSA-N 285.372 3.749 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N1CC[C@](F)(C#N)C1 615665360 ZJWFINFPNXVHDT-WBVHZDCISA-N 294.414 3.837 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2occc2C(C)C)c1 456968535 PNVNLKZJCDKURS-UHFFFAOYSA-N 268.316 3.835 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(C)(CC)CC1 538368164 XOYDLBPXFZDEGO-AWEZNQCLSA-N 266.429 3.953 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1cccc(CC#N)c1 456750224 LWRSYIBDFHMCLJ-MRXNPFEDSA-N 258.365 3.908 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@H]2F)CCCCC1 452164857 FNNNCUWDYXFEGZ-OLZOCXBDSA-N 253.361 3.520 30 20 CHED CC1(C)CCCN(Cc2ccc3cnccc3c2)[C@@H]1C#N 618822752 KXSALUCSMYJZPD-QGZVFWFLSA-N 279.387 3.749 30 20 CHED C=CCC1(CNC(=O)NC[C@H](C)C(F)(F)F)CCCC1 454817302 SNCOOUPRAMKRMM-NSHDSACASA-N 292.345 3.621 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2ccccc2C)C1 274371315 VUFYCXRBEAIFTL-INIZCTEOSA-N 269.388 3.505 30 20 CHED CN(CCC#N)Cc1ccc(-c2cccs2)cc1 277739766 OTYWWBTZTYFJHT-UHFFFAOYSA-N 256.374 3.761 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 542552067 XVOOQJUKRYFDOT-ZDUSSCGKSA-N 251.414 3.873 30 20 CHED N#CCC[C@@H](C#N)CNC1CCC(c2ccccc2)CC1 548788284 COSJWPQJJOCEFT-ZLPCBKJTSA-N 281.403 3.746 30 20 CHED C#CCCCCNC(=O)C[C@H](C)c1c[nH]c2ccccc12 278990803 KXWDYQNXRBKJOA-AWEZNQCLSA-N 282.387 3.581 30 20 CHED CCN(CCC#N)CCCc1ccc(C(F)(F)F)cc1 610504441 JTMMYUWANYSODG-UHFFFAOYSA-N 284.325 3.874 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)C(=O)NCC(C)(C)CC#N 457994072 NQLYUWPWIIYKEL-GFCCVEGCSA-N 292.810 3.575 30 20 CHED COc1c(Cl)cc(Cl)cc1CN(C)C[C@@H](C)C#N 271138923 UBSPJFFBUSYYGI-VIFPVBQESA-N 287.190 3.593 30 20 CHED C=CCC[C@@H](CCC)N1CCC[C@H](CC(C)(C)C(N)=O)C1 453273563 FTEIIWVUJDJKQB-HZPDHXFCSA-N 294.483 3.735 30 20 CHED CC[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCCO1 543065193 APWWSUGLTJSHBD-LBPRGKRZSA-N 298.308 3.582 30 20 CHED C=CCCN1CCc2c(Br)ccc(F)c2C1 543561017 TYAYNOBSIOYSLN-UHFFFAOYSA-N 284.172 3.522 30 20 CHED C=CCCc1noc(/C=C(/C)c2ccc(OC)cc2)n1 453237839 PCSYSHPFWUUUPC-QXMHVHEDSA-N 270.332 3.757 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ccc(F)cc1Cl 454524094 PHXGDDXAACHVPU-JTQLQIEISA-N 284.762 3.806 30 20 CHED Cc1nccn1-c1ccc([C@@H](C)NCC2(C#N)CCC2)cc1 450674849 CFTPPPWUKAFRSH-CQSZACIVSA-N 294.402 3.525 30 20 CHED CC(C)c1ccc(Cc2noc(C(C)(C)C#N)n2)cc1 273783570 VWYMPOQNNOENTE-UHFFFAOYSA-N 269.348 3.585 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 276902544 JEZLKYQDVOSJGX-PBHICJAKSA-N 275.367 3.744 30 20 CHED CCC1(CC)CCN(C(=O)NCC(C)(C)CC#N)CC1 459245807 VLULMOYHOAUMNL-UHFFFAOYSA-N 279.428 3.538 30 20 CHED C=CC[C@H](C(=O)NCCCc1ccco1)c1ccccc1 620365047 SUAVUXGATFJAMI-KRWDZBQOSA-N 283.371 3.688 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC[C@@H]1C1CCCCC1 459262378 UYQPMSNVZHBNNU-OAHLLOKOSA-N 291.439 3.681 30 20 CHED Cc1ccc(C#N)c(Nc2ccc([C@H]3CCOC3)cc2)n1 549248824 YVBWLIAANPURNW-HNNXBMFYSA-N 279.343 3.509 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H]1C[C@@H](OCC)C1(C)C 540564953 UCMSQRFFBGUUBS-SOUVJXGZSA-N 296.455 3.576 30 20 CHED CC[C@@H](CC(F)(F)F)NC(=O)[C@@H](C)c1cccc(C#N)c1 462482312 FUOQONMJQJNWFM-GWCFXTLKSA-N 298.308 3.509 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2ccc(F)c(C#N)c2)C1 468275270 XHXYPJRQZDARJP-CHWSQXEVSA-N 260.356 3.708 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCCc2c(C)cc(C)cc21 289434259 RMXDCIZHENNXHC-QGZVFWFLSA-N 270.376 3.523 30 20 CHED COc1cccc(C2(CNCC(C)(C)CCC#N)CC2)c1 289878753 PONQNMHWZGGEPE-UHFFFAOYSA-N 286.419 3.646 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 467999230 YKPIFYNHLJBRRO-GHMZBOCLSA-N 294.345 3.558 30 20 CHED CCC(C)(C)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 280187514 PYQXFODUAGSEMG-UHFFFAOYSA-N 272.392 3.748 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(-c2csc(C)n2)cc1 282322391 NRBKLASKLJPEHI-CQSZACIVSA-N 299.399 3.541 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC(C)C)CC(C)C 466378446 NGYLEMCBXWFDKC-AWEZNQCLSA-N 254.418 3.665 30 20 CHED CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 464527669 PDXSYPVIQSOBGW-JKIFEVAISA-N 261.409 3.511 30 20 CHED N#Cc1ccc(OCc2nc3ccc(F)cc3o2)cc1F 466733640 VXLUKBRDCFDGHK-UHFFFAOYSA-N 286.237 3.557 30 20 CHED CCC[C@@H](CC)NC(=O)c1cc(-c2cccc(C#N)c2)no1 469084018 UTQSDVSEZIVARN-CQSZACIVSA-N 297.358 3.522 30 20 CHED CC[C@H](CC#N)NC(=O)c1csc2cc(C)ccc12 280189992 IPQUXQNJCLEERT-LLVKDONJSA-N 272.373 3.632 30 20 CHED C=CCCCSCCOCC(F)(F)C(F)(F)F 468646294 WWTGCLYBUCQVAV-UHFFFAOYSA-N 278.286 3.900 30 20 CHED Cc1cncc(CSc2cccc(F)c2C#N)c1 555873246 HEYRITVWFRUCKP-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=CCCN(C)c1c(C#N)cnc2c(C)cc(C)cc12 466377341 DBTPXEBRXHTGPL-UHFFFAOYSA-N 265.360 3.736 30 20 CHED CC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)C1CCC(C)CC1 461019694 APJKBJSPNSIEDF-PFSRBDOWSA-N 278.440 3.893 30 20 CHED C=C[C@H](C)NC(=O)N(CC)[C@H](CC)c1ccccc1 464758998 UYINNQBIHXORJL-DZGCQCFKSA-N 260.381 3.744 30 20 CHED CC(C)CN(C(=O)c1cc(C#N)ccc1Cl)C(C)C 286614754 YNCUXWIWFLWNNE-UHFFFAOYSA-N 278.783 3.718 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2C[C@@]2(C)CC)c1 466301175 ZJHLAKPFUUILFT-GOEBONIOSA-N 259.349 3.626 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 281522994 XEWXLRUXZOTIGC-FPMFFAJLSA-N 279.330 3.539 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccccc1C 280713701 UGXDIUDTYKSCEE-VYDXJSESSA-N 259.393 3.627 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 286077901 JMKDZBWLROVJDF-OTWHNJEPSA-N 295.426 3.975 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1ccco1 287432898 RMECXORETRXEMH-UHFFFAOYSA-N 264.369 3.558 30 20 CHED C=CCOc1ccc(OC[C@@H](O)C2CCCCC2)cc1 473776027 ZXRYDPDSSMKHPS-QGZVFWFLSA-N 276.376 3.571 30 20 CHED C#C[C@H](NC1CCC(C(=O)OC(C)(C)C)CC1)C(C)(C)C 809782501 WNWKABFUDVRWOP-NRXISQOPSA-N 293.451 3.524 30 20 CHED C[C@@H](CN(C)C(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 294744628 YJNSBTHIURZCIR-KXBFYZLASA-N 296.414 3.723 30 20 CHED CCc1cccc2c1N(Cc1cccc(C#N)c1)CC2 558246330 PBPDKDMMLVYHJT-UHFFFAOYSA-N 262.356 3.683 30 20 CHED C#C[C@H](NC1CCN([C@H]2CCC[C@@H](C)C2)CC1)C(C)(C)C 809781521 UJKITHYPYQUKHS-NJAFHUGGSA-N 290.495 3.667 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C/c2ccccc2)cc1 803376567 HUNVRIKFYVWFJK-JLHYYAGUSA-N 293.366 3.581 30 20 CHED Clc1ccsc1C=NNc1nccnc1C1CCC1 807992939 SWTQNMFFFHIZKE-UHFFFAOYSA-N 292.795 3.905 30 20 CHED O=C(/C=C\c1cnccn1)c1cc(Cl)sc1Cl 809155536 ZNJGYEANDZPTQB-UPHRSURJSA-N 285.155 3.741 30 20 CHED Cc1ccc(C)c(C=NNc2nccnc2C2CCC2)c1 807994690 SOIQNYSYWDWCPP-UHFFFAOYSA-N 280.375 3.807 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 701309266 QPQXXCAEPMPXBC-ZFDPJTLLSA-N 297.185 3.815 30 20 CHED CCCN(CCCC#N)[C@H](C)c1ccccc1OC 299405959 NIJRYDZYFDTFKL-CQSZACIVSA-N 260.381 3.772 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(Cl)nc1 806178777 YPWYNLXYJFNYLO-NSHDSACASA-N 265.788 3.716 30 20 CHED Cc1cc(C)c(NN=C(Cn2cccn2)C(C)C)c(C)c1 802711376 UFTGIAMXOQFIBP-UHFFFAOYSA-N 284.407 3.932 30 20 CHED C=CCCCC(=O)NCc1cc(Cl)cc(Cl)c1O 807836481 YBVWXFGSLHITDP-UHFFFAOYSA-N 288.174 3.672 30 20 CHED CC1CC(C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1 562699908 JJDMTXXEJJZEFQ-UHFFFAOYSA-N 276.405 3.902 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N[C@@]3(C#N)CC3(C)C)oc12 291375448 DPJVDSDCCHPJOD-GOSISDBHSA-N 296.370 3.780 30 20 CHED C=C(Cl)CN(C)[C@H](CC)c1ccccc1OC 805833984 CKPRJNBFKIWEAZ-CYBMUJFWSA-N 253.773 3.831 30 20 CHED C=CCC(C)(C)c1noc(COCc2ccccc2)n1 560022161 SWIXHGKBVAQEPP-UHFFFAOYSA-N 272.348 3.640 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ncccc1CC 470647084 QANNVDSAWYSDJG-UHFFFAOYSA-N 294.398 3.863 30 20 CHED C=CC(C)(C)C(=O)NCC[C@@H](C)c1ccc(OC)cc1 294797518 BVCPJLANQSXBOF-CYBMUJFWSA-N 275.392 3.517 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC[C@@H]1CC 567523321 WFPUZTDVOOKHJO-HNNXBMFYSA-N 282.391 3.510 30 20 CHED C=CCCc1noc(-c2cc(C)nc3onc(C(C)C)c23)n1 297438396 VYXWHFKDGGXJBK-UHFFFAOYSA-N 298.346 3.823 30 20 CHED C=CC[C@H](CO)CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 474897459 SYKDGPAFHQRJTB-MROQNXINSA-N 299.867 3.668 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2ccc(F)cc21 565594204 LBLLAKBMMSOYNF-CQSZACIVSA-N 261.340 3.532 30 20 CHED Cc1ccccc1O[C@H]1CCCC[C@H]1NCC1(C#N)CC1 484636590 BVSSFJQALOIUDW-WBVHZDCISA-N 284.403 3.578 30 20 CHED C=CCCCCCS(=O)(=O)c1ccc(OCC)cc1 487287887 RAHQIYCVNQDTBG-UHFFFAOYSA-N 282.405 3.605 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N(C)c1ccccc1 563852807 BGXUUQWBMFQXOF-UHFFFAOYSA-N 295.342 3.625 30 20 CHED C=CCCOCCCCC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 647499590 WYKUJIHEXRLHDY-CVEARBPZSA-N 293.451 3.787 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2ccncc2c1 649903649 SFMSZRZHKLAZQC-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED C[C@@H](Nc1ccc2c(c1)CCN2)c1ccc(OCC#N)cc1 817949079 HKOIJTGOSUENNT-CYBMUJFWSA-N 293.370 3.730 30 20 CHED CCc1ccc([C@@H]2CCCN(c3ccc(C#N)cn3)C2)cc1 561449350 NZLNIJBEWJSHJX-GOSISDBHSA-N 291.398 3.900 30 20 CHED C=CC[C@@H]1N(Cc2cnn(C)c2Cl)CCCC1(C)C 816593220 JYSPKZFYSZJOTR-ZDUSSCGKSA-N 281.831 3.640 30 20 CHED C=CC[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 487632218 KWCFNWSFCJGLQV-GOSISDBHSA-N 279.383 3.971 30 20 CHED C=CCC(F)(F)C(=O)NCC[C@H](C)CC(C)(C)C 816366800 SEGBJRHMCVCTNO-NSHDSACASA-N 261.356 3.776 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1OCC 486752447 JOMOCQPJRNORNC-CYBMUJFWSA-N 274.364 3.658 30 20 CHED C=CCC[C@@H](CC)NCc1c(F)cc(F)cc1F 815650349 PDTWWDIOLVHCHK-LLVKDONJSA-N 257.299 3.938 30 20 CHED C=CCCCCOC(=O)c1sc(C)cc1OC 811011432 WNZFNDCXCRLSBQ-UHFFFAOYSA-N 254.351 3.578 30 20 CHED C#Cc1ccccc1CC(=O)N([C@@H](C)CC)[C@H](C)CC 813151080 VWKLRCLLDVTGGB-GASCZTMLSA-N 271.404 3.636 30 20 CHED CC(=NNc1ccccc1Cl)c1cc(C(=O)O)cs1 814691026 KDYIDUOZGHVHNS-UHFFFAOYSA-N 294.763 3.936 30 20 CHED CCc1nocc1CSCCCC1(C#N)CCOCC1 576291293 GTGAMMGDXDTYGV-UHFFFAOYSA-N 294.420 3.571 30 20 CHED C=CCOc1ccccc1C(=O)N1CC(C2CCCCC2)C1 571356848 XSPDSYYXEKZJCO-UHFFFAOYSA-N 299.414 3.904 30 20 CHED CC(C)[C@@H]1N(c2nccc(C#N)c2Cl)CC12CCC2 488497177 FPGBVUBCUFKXFT-ZDUSSCGKSA-N 275.783 3.622 30 20 CHED COC(=O)c1cc(NN=C2CC[C@@H]2C2CCC2)ccc1C 814937915 RPRHNCOHTMFOQG-CQSZACIVSA-N 286.375 3.760 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1cnc2ccccc2n1 814829911 OMDFCWCEOZIAMX-UHFFFAOYSA-N 294.333 3.799 30 20 CHED C=CCC(F)(F)C(=O)Oc1cccc(C)c1Cl 816052975 PBSRVDWXLJGGHR-UHFFFAOYSA-N 260.667 3.765 30 20 CHED CCC(=NOC1CCC1)c1ccc(OC(F)F)cc1 812236930 AKHVNUWTSFCZKG-UHFFFAOYSA-N 269.291 3.971 30 20 CHED Fc1ccc2ccc(C=NOC/C=C/Cl)nc2c1F 814933839 BYKMWTHSGDKEMJ-GGXVHQIBSA-N 282.677 3.616 30 20 CHED CCCOc1ccc(C=NN[C@@H](C)c2ccncc2)cc1 819816053 WQRUQLQIWNCLGE-AWEZNQCLSA-N 283.375 3.555 30 20 CHED CC[C@@H](C(=O)NC(C)(C)C#N)c1cccc(C(F)(F)F)c1 576064332 ZWIJTKFUAIZTTB-GFCCVEGCSA-N 298.308 3.617 30 20 CHED CCCCCOc1ccc(C=NNc2ccc(C)nn2)cc1 729935514 BUAJBIWNMOABPP-UHFFFAOYSA-N 298.390 3.800 30 20 CHED COc1ccc(/C=C2/CCc3sccc3C2=O)cc1O 726891177 HEEWPIZDRRAROP-FLIBITNWSA-N 286.352 3.675 30 20 CHED N#CC1(NC(=O)c2cc(F)c3ccccc3c2)CCCC1 573628470 WQZJFTAEQKEJAU-UHFFFAOYSA-N 282.318 3.545 30 20 CHED CC#CCCNC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 498602061 JXKZLLZWIDUZCG-AWEZNQCLSA-N 297.320 3.729 30 20 CHED C[C@@H](C[C@H](O)c1ccco1)Nc1cccc(Cl)c1C#N 827752792 OFOOPEQXBUSXOT-HZMBPMFUSA-N 290.750 3.729 30 20 CHED Cc1cccc(NC(=O)N2CCC[C@H](CC#N)C2)c1Cl 821515204 MUCGJZNZTIBHHL-GFCCVEGCSA-N 291.782 3.806 30 20 CHED COc1ccc([C@H]2CCCCCN2C(=O)C#CC(C)C)cc1 820014795 CDBKMIMJUYXNOQ-GOSISDBHSA-N 299.414 3.798 30 20 CHED C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 827458307 WXDNMDPNAYASTM-MAUKXSAKSA-N 299.414 3.512 30 20 CHED C[C@H](C#N)Oc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 824942415 ZPNIRWJBSFQOIQ-VMDGZTHMSA-N 296.414 3.598 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@]1(CCC)C(F)(F)F 499067220 AOZCVRHZTNGRPS-OLZOCXBDSA-N 279.346 3.511 30 20 CHED C=CCCCCN(C)c1cc(OC)c(OC)c(OC)c1 827884018 WGPNLWFWDAEWDO-UHFFFAOYSA-N 279.380 3.505 30 20 CHED C=CCCCOC(=O)c1c(C)oc2ccc(OC)cc12 735530143 DOPQMDRCZBENFO-UHFFFAOYSA-N 274.316 3.873 30 20 CHED CCC(Cc1cccs1)=NNc1ccc(C(=O)O)cc1 730945478 KNGZTLLJEDSHAQ-UHFFFAOYSA-N 288.372 3.867 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cn(C(C)C)nc1C 583507870 QQEWADOSFCPSEY-UHFFFAOYSA-N 297.402 3.601 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(SC(F)F)cc1 837886236 XCIZBONTHTYNJC-UHFFFAOYSA-N 298.358 3.671 30 20 CHED CCCCCC(C)=NNCCc1ccc(OC)cc1 737439841 KMTBVEKXNJWHFH-UHFFFAOYSA-N 262.397 3.784 30 20 CHED C#C[C@H](N[C@@H]1C[C@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 491819411 NVIXWOJYHQJOOE-OJDYBEQGSA-N 277.795 3.560 30 20 CHED N#CCCCCCc1nc([C@H]2CCc3ccccc32)no1 589127916 QLMSLJCFBZYEHS-HNNXBMFYSA-N 281.359 3.774 30 20 CHED C=CCCCN(C)Cc1c(O)c(C(=O)O)cc2ccccc12 736102135 BDNDQVUVBSYEFR-UHFFFAOYSA-N 299.370 3.642 30 20 CHED C#CCCCCC(=O)N(CC1CC1)c1ccc(OC)cc1 836840414 JQJYIUOKCKHUAV-UHFFFAOYSA-N 285.387 3.632 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1sccc1C 733747638 QFJUIZRDKRRIIZ-UHFFFAOYSA-N 298.371 3.943 30 20 CHED C=CCONC(=O)CCCc1cc(Cl)sc1Cl 837047869 JPMLUZKOWRYHQV-UHFFFAOYSA-N 294.203 3.611 30 20 CHED CC[C@@H]1C[C@@H](C(=O)OCCCCC2(C#N)CCC2)CCO1 909153036 GOCXDNJEDGNYMP-LSDHHAIUSA-N 293.407 3.599 30 20 CHED C=CCCSc1nc2ccc([N+](=O)[O-])cc2s1 739431548 BSJSNSPZVSRRHG-UHFFFAOYSA-N 266.347 3.873 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2cc3ccccc3cc2C#N)O1 839435402 MJMVJNXSQNLQGP-DOTOQJQBSA-N 294.354 3.608 30 20 CHED C#CCC[C@H](C)OC(=O)c1nc(-c2ccccc2)oc1C 839033127 AUIGSLOEZZWMNX-LBPRGKRZSA-N 283.327 3.609 30 20 CHED COc1ccc(CCNN=C(C)c2ccccc2C)cc1 737440755 NZVYKFFWDWPZJX-UHFFFAOYSA-N 282.387 3.560 30 20 CHED CCC(=NNc1ccccn1)c1cc(Cl)ccc1OC 736427662 OLEGXXKQZVNBHE-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CN(C(=O)C#CC(C)(C)C)[C@H]1CCCc2ccccc21 837328470 YXNLYVOQABPPKF-INIZCTEOSA-N 269.388 3.572 30 20 CHED CO[C@H]1CC(=NNc2nc3ccccc3s2)C12CCC2 834914707 RWLMLXYJFRQNPB-ZDUSSCGKSA-N 287.388 3.653 30 20 CHED C#CCOc1ccc(NC(=O)N(CC)[C@@H](C)C(C)C)cc1 731114488 BZLSODFRKVYJFX-AWEZNQCLSA-N 288.391 3.597 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C 834940750 QHIWSSYQWFHMMJ-MFKMUULPSA-N 276.340 3.604 30 20 CHED N#Cc1ccc(C(=O)N2CCC(C3CCCCC3)CC2)cc1 916436749 HFEJFSURLIDHFS-UHFFFAOYSA-N 296.414 3.991 30 20 CHED COc1cccc(/C=N/Cc2ccc(OC(C)C)cc2)c1O 914558514 XZVSDSILIRMTCD-XDHOZWIPSA-N 299.370 3.807 30 20 CHED CC(=NNc1ccccn1)c1ccc(Br)cc1 916275972 CYGXBCMEAMPDIX-UHFFFAOYSA-N 290.164 3.680 30 20 CHED C=CCONC(=O)CCCc1ccc(Cl)c(Cl)c1 837044338 LLOLNMNJFWBELC-UHFFFAOYSA-N 288.174 3.550 30 20 CHED Cc1c(C=NNc2ccccc2)c2ccccc2n1C 916657260 YUBVCKKEAMMSMV-UHFFFAOYSA-N 263.344 3.933 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@H](C)CC(C)C)n1 598851490 AWWZRVUUQODJME-LLVKDONJSA-N 273.380 3.581 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CSc1ccc2ccccc2c1 594093379 OCPHFPNWGXRMNR-HNNXBMFYSA-N 298.411 3.692 30 20 CHED CCc1ccc(C2CCN(CCCC#N)CC2)cc1 599668044 ASRPUPSXIMKKSE-UHFFFAOYSA-N 256.393 3.732 30 20 CHED CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(Cl)c1 598603086 RWHFKGQVRFYJKC-CABCVRRESA-N 294.826 3.681 30 20 CHED CC(C)(C)c1cnc(CNCCc2ccc(C#N)cc2)s1 594955652 RCAJXGWURSVZND-UHFFFAOYSA-N 299.443 3.645 30 20 CHED CCOc1cccc(C(C)=NNc2ccc([N+](=O)[O-])cc2)c1 743525641 JOTXAZCJZOWZEW-UHFFFAOYSA-N 299.330 3.830 30 20 CHED CC1=C(C)C[C@@H](C(=O)[C@@H](C#N)c2nc(C)cs2)CC1 842677992 PUMHYKISFWAROE-QWHCGFSZSA-N 274.389 3.764 30 20 CHED Cc1cc(NN=Cc2ccc[nH]2)nc2ccc(Cl)cc12 916543994 MWLPPGISDMSDJO-UHFFFAOYSA-N 284.750 3.971 30 20 CHED C[C@H](CC(=O)Oc1cccc(OCC#N)c1)CC(C)(C)C 841342836 PVNLFGDKNIGKNR-CYBMUJFWSA-N 289.375 3.957 30 20 CHED C=C1CCN(C(=O)CCOc2cc(C)cc(C)c2C)CC1 595462335 CPYMDPKTTOSGAB-UHFFFAOYSA-N 287.403 3.559 30 20 CHED CO[C@@H](C)c1nc(CON=Cc2cccc(F)c2)cs1 747826367 ICEWXCORFYDYJI-JTQLQIEISA-N 294.351 3.540 30 20 CHED C[C@]1(Cc2ccccc2F)CCCN1CC1(C#N)CC1 592143771 MZOHKELLDVNATB-MRXNPFEDSA-N 272.367 3.526 30 20 CHED C=CCCCC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 748236673 YTFMVRUNXJYQCA-UHFFFAOYSA-N 290.403 3.671 30 20 CHED CCS[C@@H]1CCC[C@H]1N[C@@H](C#N)c1ccccc1 595483914 JPBGUAYCIBCVLN-QLFBSQMISA-N 260.406 3.515 30 20 CHED C=CCNC(=S)N(C)c1ccc(-c2ccccc2)cc1 743011016 MQBNRQXEMPMBDH-UHFFFAOYSA-N 282.412 3.850 30 20 CHED Oc1ccccc1/C=N/CCc1ccc(Cl)s1 915982839 FDCGUKBAFDTEFQ-OQLLNIDSSA-N 265.765 3.769 30 20 CHED CC(C)[C@H](C#N)OC(=O)[C@H](C)c1ccc(Cl)cc1 845459011 LXGACOSMSKDJQO-MFKMUULPSA-N 265.740 3.535 30 20 CHED CCCCCCCOC(=O)[C@H]1CC1(Cl)Cl 918493228 LNSRBDNCXGLVAY-SECBINFHSA-N 253.169 3.694 30 20 CHED C=C(C)CONC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 846539462 YAAXWKPWRLOPFI-DLBZAZTESA-N 281.355 3.567 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H]1/C=C\c1ccccc1 679534879 QFQVISHISNLHLO-SQVRQVGWSA-N 299.414 3.674 30 20 CHED C=CCCNC(=O)Nc1ccccc1SC[C@@H](C)C#N 596733030 APXOAEPHVOMVLS-LBPRGKRZSA-N 289.404 3.636 30 20 CHED C=C(C)CNC(=S)Nc1ccccc1CC(F)(F)F 741866480 QOORPYLRLFQMDC-UHFFFAOYSA-N 288.338 3.654 30 20 CHED CCCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 595620408 NHLQHEFSAAKLFB-OAHLLOKOSA-N 272.392 3.601 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1cn(C)nc1C 917532917 WKWKTOXLJPWVNN-UHFFFAOYSA-N 296.296 3.583 30 20 CHED C=C[C@H](C)ON=C[C@@H](C)Cc1ccc(OC)c(F)c1 844622111 USKMXQLJPOBFPT-RYUDHWBXSA-N 265.328 3.590 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1cccc(Cl)c1 916241841 JJTPUGSSSQOCBC-UHFFFAOYSA-N 274.755 3.583 30 20 CHED C=CCOc1ccc(OC(=O)COc2cccc(C)c2)cc1 742860596 AGDAFXUFRYFVIE-UHFFFAOYSA-N 298.338 3.544 30 20 CHED C#C[C@@H](OC(=O)c1cnc(C2CC2)s1)c1ccccc1 842389749 NCVXZYXSKQPPCM-CYBMUJFWSA-N 283.352 3.552 30 20 CHED N#Cc1sc(NC(=O)CC2CCCCCC2)nc1Cl 841224632 SVDQEYPVDWQXHO-UHFFFAOYSA-N 297.811 3.967 30 20 CHED C#C[C@H](C)OC(=O)c1ccc(-c2ccc(OC)cc2)cc1F 744178192 NTPKAULGJZIZRO-LBPRGKRZSA-N 298.313 3.680 30 20 CHED Cc1cc(NC(=O)N2CC[C@@](F)(C#N)C2)c2ccccc2c1 590844176 ZILUCSDZAQTQOA-QGZVFWFLSA-N 297.333 3.618 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 597994179 GTEKGLMLZKUCIV-HNNXBMFYSA-N 296.414 3.916 30 20 CHED C#C[C@H](C)OC(=O)c1cnc(-c2ccccc2Cl)s1 744178484 UHXTXELVTJXPAP-VIFPVBQESA-N 291.759 3.642 30 20 CHED CC(C)(CN[C@H]1CCCc2cc(C#N)ccc21)OCC1CC1 591248775 XIXFLMWCZGILCR-SFHVURJKSA-N 298.430 3.730 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCN2C2CCCC2)n1 924080438 VCKXOAYTOCEMKV-CYBMUJFWSA-N 275.396 3.613 30 20 CHED C=CCCCCNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 681146520 VYYODHXAUFXTBQ-DZGCQCFKSA-N 275.392 3.808 30 20 CHED CCCCCCCCCCNC(=O)c1ncoc1C 755484804 FFYIFOVHKZCKRJ-UHFFFAOYSA-N 266.385 3.854 30 20 CHED Oc1ccc(C=NNc2ncccc2Cl)cc1Cl 921258036 GPYYNFSODNZXBV-UHFFFAOYSA-N 282.130 3.540 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1(F)CCCCC1 851204257 NKKGQUKEJONOEO-LLVKDONJSA-N 255.333 3.530 30 20 CHED CCCCCC[C@H](C)C(=O)N1CCC[C@H](CC#N)C1 855254915 RZNWAPIGMXQLGU-LSDHHAIUSA-N 264.413 3.745 30 20 CHED CCCCCCCCNC(=O)Cc1ccccc1OC 754851707 WBFVDKQQMBFCAM-UHFFFAOYSA-N 277.408 3.714 30 20 CHED C=CC[C@@H](NC(=O)N(C)[C@H](C)C1(C)CC1)c1ccncc1 752982226 SPUQCLSXPRNJPB-UKRRQHHQSA-N 287.407 3.529 30 20 CHED Cc1noc(C)c1[C@@H](C)CC(=O)O[C@H](C)CC(C)(C)C#N 851207996 LSTZWKSTMSUVSZ-WDEREUQCSA-N 292.379 3.657 30 20 CHED Clc1cnc(NN=C2C[C@H]3CCCc4cccc2c43)nc1 857220882 PELYWHAKQXXGLG-LLVKDONJSA-N 298.777 3.770 30 20 CHED C[C@@H]1CCCCN1N=Cc1ccc(F)c(C#N)c1Cl 853378702 BKGUFADNJRUXSM-SNVBAGLBSA-N 279.746 3.559 30 20 CHED N#Cc1ccc(CNC(=O)OCC2CCCCC2)cc1F 859182544 XJMBABSVZWTLIA-UHFFFAOYSA-N 290.338 3.504 30 20 CHED CSc1cc(NC(=O)C#CC(C)C)ccc1Cl 854936309 YADJEXVRXWJDRA-UHFFFAOYSA-N 267.781 3.660 30 20 CHED C#CCN(C(=O)c1csc(C2CCCCC2)n1)C(C)C 928625369 PWKWISFUNMRKSD-UHFFFAOYSA-N 290.432 3.675 30 20 CHED Cc1nc(C)c(COc2ccc(C(F)(F)F)c(C#N)c2)o1 853703346 UZVYDQLTZRLQQB-UHFFFAOYSA-N 296.248 3.761 30 20 CHED CCC(CC)OC(=O)c1ccc(Cl)c(C#N)c1 754903903 XESLSAWGCAYZAB-UHFFFAOYSA-N 251.713 3.557 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1CCCSCC#N 932278480 PSZACYIYQCTYTL-DOTOQJQBSA-N 288.460 3.901 30 20 CHED O=[N+]([O-])c1cccc(NN=C[C@@H]2C[C@H]2c2ccccc2)c1 755481697 OOWMPTNPDSYFNY-BBRMVZONSA-N 281.315 3.796 30 20 CHED C#Cc1ccc(NC(=O)N[C@H](C)c2csc(CC)n2)cc1 934934596 ZYBUTDOAIQVDOU-LLVKDONJSA-N 299.399 3.570 30 20 CHED Cc1cc(Br)ccc1C=NO[C@H]1CCCCO1 755814264 LPCPYNHSDBGZCU-ZDUSSCGKSA-N 298.180 3.635 30 20 CHED C=C[C@H](OC(=O)[C@H]1CCC[C@H](OC)C1)c1ccccc1 851452090 OKLAVVMRKLQPON-JYJNAYRXSA-N 274.360 3.662 30 20 CHED O=C(/C=C/c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] 752876313 XRHFVHTWULJIKX-RMKNXTFCSA-N 271.247 3.630 30 20 CHED C#CCN(C(=O)Nc1cc(C)ccc1Cl)C(C)C 930398134 BPFGRCHEAAROAZ-UHFFFAOYSA-N 264.756 3.524 30 20 CHED N#C[C@@H]1CCCN(C2c3ccccc3-c3ccccc32)C1 932151238 MIESOXQGBBHHCG-AWEZNQCLSA-N 274.367 3.992 30 20 CHED Clc1ccc(CNN=C2CCCc3scnc32)cc1 863100470 ZRMAKAFMZLYIPN-UHFFFAOYSA-N 291.807 3.627 30 20 CHED C#CC[C@@H](Cc1ccccc1)OC(=O)[C@@H]1C[C@H]1c1ccco1 860746875 HECWUEFRZVPBKD-GVDBMIGSSA-N 294.350 3.561 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1Cc2ccccc21 768732775 SRQDNDXQUYKBJE-OAHLLOKOSA-N 271.360 3.590 30 20 CHED C#CCCCOC(=O)[C@H](c1ccccc1)[C@@H](C)CC 766864754 YTNPYNORRJAFLG-HOCLYGCPSA-N 258.361 3.773 30 20 CHED CC#CCCSc1nc2ccc([N+](=O)[O-])cc2s1 764956635 XQEORXOSGLNYCO-UHFFFAOYSA-N 278.358 3.710 30 20 CHED Fc1ccccc1C=NOCc1ccc2ncccc2c1 769808355 NDYDPEXBYSFJTK-UHFFFAOYSA-N 280.302 3.925 30 20 CHED C[C@H](NCCCCC1(C#N)CCC1)c1cccnc1 930185891 OCJAPWFHSNBBFS-AWEZNQCLSA-N 257.381 3.596 30 20 CHED C#CCOc1ccccc1-c1noc(-c2cccc(C)c2)n1 761991255 INAZTFGVDQMIMR-UHFFFAOYSA-N 290.322 3.724 30 20 CHED CC(=NNCC(F)(F)F)c1ccc(OCC(C)C)cc1 769820999 GCYCKIAXDFUGFE-UHFFFAOYSA-N 288.313 3.597 30 20 CHED CC(C)CC(=NNCc1ccccc1)c1ccccn1 760232874 MQNNEBVGIQRSQA-UHFFFAOYSA-N 267.376 3.622 30 20 CHED CC#CCCOC(=O)/C=C(\C)c1ccccc1OC(F)F 760275035 LBRFHVZIWSKKPZ-VAWYXSNFSA-N 294.297 3.648 30 20 CHED C#CCN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1CC1 764449753 RVWIQTUTDUBQCC-UHFFFAOYSA-N 294.398 3.703 30 20 CHED C#CCCCN(Cc1ccc(OC)cc1OC)C(C)(C)C 766905239 IGFUBSRLMGLDHR-UHFFFAOYSA-N 289.419 3.718 30 20 CHED C=CCCC(=O)COC(=O)CSc1ccccc1Cl 761346994 GAUPGOBGWSBIDV-UHFFFAOYSA-N 298.791 3.511 30 20 CHED C=CCC1(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CCC1 1116771331 PQKMJIZHPRFXFE-HUUCEWRRSA-N 261.409 3.772 30 20 CHED Cc1cccc(C=NNCc2cnc3ccccc3c2)c1C 764777592 FICBKEMFBGRZEG-UHFFFAOYSA-N 289.382 3.975 30 20 CHED C=C(CC)COC(=O)[C@@H](C)Oc1ccccc1Cl 773483013 SQGADJBDYZRBRK-LLVKDONJSA-N 268.740 3.617 30 20 CHED N#C[C@@H](OC(=O)Cc1c(F)cccc1F)C1CCCCC1 776397644 QCYLYIHALUNYKD-OAHLLOKOSA-N 293.313 3.523 30 20 CHED C=C[C@H](COC)N[C@@H](CCC)c1ccc(Cl)cc1 1116643651 ROERLNAGRKPXPW-CABCVRRESA-N 267.800 3.972 30 20 CHED N#C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C1CCCCC1 776359612 LFJZXHRZDIUWTM-OAHLLOKOSA-N 291.778 3.898 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1(F)CCCC1 771966531 PECKRBCFZBALFA-UHFFFAOYSA-N 275.367 3.526 30 20 CHED C#CCSCCN[C@H](C)c1cc(C)ccc1OC(F)F 773009576 CCCLZVUMUYHYGK-GFCCVEGCSA-N 299.386 3.613 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(Br)nc1C 879378724 YBVWSJVVKAPHCI-UHFFFAOYSA-N 297.196 3.693 30 20 CHED Cn1c(C=NOC2CCCCC2)nc2cc(Cl)ccc21 777458355 DITKGZJSEAWKQC-UHFFFAOYSA-N 291.782 3.910 30 20 CHED C#CC[C@@H](N[C@H](C)CCc1ccco1)c1ccccc1 773105653 IILOHUBQWIRXAE-CRAIPNDOSA-N 267.372 3.955 30 20 CHED COc1cccc(NN=C2CCc3ccc(Cl)cc32)n1 779818007 WGLVEOKNOGRYGH-UHFFFAOYSA-N 287.750 3.506 30 20 CHED C#C[C@H](N[C@@H](CC)c1ccc(Cl)cc1)[C@H]1CCCO1 775572883 UQJCWCVBVMUREV-HRCADAONSA-N 277.795 3.562 30 20 CHED C=C(Cl)CN[C@H](C)c1cc(Cl)c(OC)cc1OC 773004277 JOVNNTGAYKWNEU-SECBINFHSA-N 290.190 3.760 30 20 CHED C#CCOc1cccc(Oc2ncnc3ccc(F)cc23)c1 771199602 HHQSKDDRLZNVGC-UHFFFAOYSA-N 294.285 3.573 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 777412802 ULWUHLFICUAMAI-PKFCDNJMSA-N 275.735 3.557 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2cccc(C)c2C)c1 774139380 PXIMCIINERNBIY-BQYQJAHWSA-N 284.311 3.579 30 20 CHED CC(C)(C#N)CCOC(=O)CCOc1ccccc1Cl 776374189 VIPTZVZDOMJNPZ-UHFFFAOYSA-N 295.766 3.592 30 20 CHED C#C[C@@H](C)NCc1c(Cl)ccc(Cl)c1Cl 166497073 QBOXNIIYHULYSY-SSDOTTSWSA-N 262.567 3.758 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)c(F)c1)c1cncs1 787172917 RLUTXEBXSOMKFY-IWQZZHSRSA-N 299.273 3.780 30 20 CHED CO[C@@H](C(C)=NNc1cccc(C#N)c1)c1ccccc1 782186190 KWSCQIJXPFIKIT-KRWDZBQOSA-N 279.343 3.734 30 20 CHED CCc1ccc(C(=O)OCCCC(C)(C)C#N)cc1 782032374 ZEWLFKRXOGCZAV-UHFFFAOYSA-N 259.349 3.736 30 20 CHED CN(Cc1cccc(Br)c1)CC1(CC#N)CC1 88259322 JWOGBHXHFAZQRI-UHFFFAOYSA-N 293.208 3.575 30 20 CHED CCCCCCCCNC(=O)N1CCC(CC#N)CC1 781818450 XNDSNGAYAWBFLG-UHFFFAOYSA-N 279.428 3.682 30 20 CHED COc1ccc2oc(C=NNC3CCCCC3)cc2c1 786043772 XEVTVVXQSOYPGL-UHFFFAOYSA-N 272.348 3.698 30 20 CHED CC(C)=CCC[C@H](C)CC=NOC[C@@H]1CCOC1 788036754 MNZCDEKLCGUMTL-LSDHHAIUSA-N 253.386 3.798 30 20 CHED C=CCCCCCOC(=O)/C=C/c1cnc(C)s1 783644760 YLIUYFHXGCPHEV-CMDGGOBGSA-N 265.378 3.754 30 20 CHED C=CCC(F)(F)C(=O)NCCC1CCC(F)(F)CC1 890057110 UTXBQZNSJZTBIR-UHFFFAOYSA-N 281.293 3.530 30 20 CHED C#CCC1(C(=O)NCc2ccc(C)cc2OC)CCCCC1 788231973 IZKIRLZGVQEDIU-UHFFFAOYSA-N 299.414 3.594 30 20 CHED C=CCCCCCOC(=O)[C@H](C)Cc1c(C)nn(C)c1C 783863664 UERFOJWMMQWQNI-CYBMUJFWSA-N 292.423 3.505 30 20 CHED N#C[C@@H](C(=O)CCCCc1ccccc1)c1ccccn1 892482717 HDNPDIQMJFRESP-MRXNPFEDSA-N 278.355 3.671 30 20 CHED C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3cc2C#N)C1 70218001 YSZGYMPNHYNZDS-CHWSQXEVSA-N 265.360 3.589 30 20 CHED CC1(c2ccccc2)CC(=NNc2ncccc2F)C1 794981046 SIXICGCECIGWLF-UHFFFAOYSA-N 269.323 3.740 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(C)cccc1Br 393840629 RSAXGGHTMCJLJA-LLVKDONJSA-N 296.208 3.842 30 20 CHED Cc1cccc(CCCOC(=O)c2cc(C#N)oc2C)c1 797885242 OYNMRMHAHSKVDR-UHFFFAOYSA-N 283.327 3.558 30 20 CHED C=C1CCC(c2nc(-c3ccccc3OC)no2)CC1 895960263 HFXXYPYMLIREBD-UHFFFAOYSA-N 270.332 3.959 30 20 CHED CC(C)(C#N)CCCCN(Cc1ccncc1)C1CC1 277660247 IYZBUXGHIVANIO-UHFFFAOYSA-N 271.408 3.766 30 20 CHED COCC[C@H]1CCCC1=NNCc1cnc2ccccc2c1 799883033 NIELTVBBASZRQU-OAHLLOKOSA-N 297.402 3.517 30 20 CHED CCC[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 189584455 MCZREIZMTIWVLM-KRWDZBQOSA-N 267.376 3.528 30 20 CHED CC(C)c1ccc(NCc2cc(C#N)n(C)c2)cc1 189574884 AYTWWGCRKYVBLL-UHFFFAOYSA-N 253.349 3.632 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H](C)CCc1ccccc1 797886071 MIDKLEAROSRKDM-LBPRGKRZSA-N 283.327 3.638 30 20 CHED CCCCCC[C@@H]1CCCC1=NN(C)CCOC 794968573 RMNOOQWRUUFYQQ-CQSZACIVSA-N 254.418 3.691 30 20 CHED C=CCNN=C(C)c1ccc(SCC(F)F)cc1 795003261 HNICSLQJHURBPH-UHFFFAOYSA-N 270.348 3.543 30 20 CHED CCCCCCCCCN1CCN(C2CCC2)CC1 792229581 DDMVJNSIWVZPEV-UHFFFAOYSA-N 266.473 3.907 30 20 CHED C[C@@H]1CC[C@@H](Nc2ncc(C#N)cc2Cl)C[C@H]1C 1307091247 SVAKWHGUHCGFDE-CKYFFXLPSA-N 263.772 3.843 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC[C@@H]2c2ccccc2)nn1 1307119459 HODQWVRQQLSEBB-NVXWUHKLSA-N 292.386 3.734 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1Cc1cccc(C#N)n1 1308661880 CUYZHLPXBFGPQP-LJQANCHMSA-N 291.398 3.550 30 20 CHED C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1C 1301045071 PMXPVXHBJBRFDK-LBPRGKRZSA-N 296.846 3.608 30 20 CHED CCc1ccc(CN(CC(C)C)c2cncc(C#N)n2)cc1 1163571211 HGOXRCUPQMDAMZ-UHFFFAOYSA-N 294.402 3.573 30 20 CHED CCCN(c1nc(C(C)(C)C)ccc1C#N)C(C)C 1640086161 DORIABZNBNILEP-UHFFFAOYSA-N 259.397 3.876 30 20 CHED C#CCCCCC(=O)Nc1nc2ccccc2n1C(C)(C)C 1320021721 CICFGQQQCOCZEV-UHFFFAOYSA-N 297.402 3.923 30 20 CHED N#Cc1cc(C(=O)N2CC3(CCC3)c3ccccc32)cs1 1324429646 WJEDTEPBVBYVKE-UHFFFAOYSA-N 294.379 3.702 30 20 CHED CC[C@H](C)[C@H](C)c1nnc(-c2cccc(C#N)c2)o1 1325810581 OQYPKNYJRHQECQ-QWRGUYRKSA-N 255.321 3.758 30 20 CHED N#C[C@H](OC(=O)CCNc1ccccc1)C1CCCCC1 1323476909 PGPFVAKRKYQMGM-INIZCTEOSA-N 286.375 3.504 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cncc2ccccc12 1256631473 PGJJNCGNNYLVAL-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)c1nnc(C(C)(C)c2cc(F)cc(C#N)c2)o1 1330079147 PWAVEICLFVTTIW-UHFFFAOYSA-N 273.311 3.530 30 20 CHED C[C@@H](CN(C)C(=O)c1csc(C#N)c1)C1CCCCC1 1331823560 WRUSONGPQKLFDF-LBPRGKRZSA-N 290.432 3.908 30 20 CHED CC[C@H]1CCC[C@@H]1c1nnc(COc2ccccc2C#N)o1 1261573644 ZZSDDZLCWPIKSB-JSGCOSHPSA-N 297.358 3.814 30 20 CHED CC1(c2ccccc2)CCN(CC2(CC#N)CC2)CC1 1192292019 LQYUSNRAFVBSNX-UHFFFAOYSA-N 268.404 3.734 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl 1347520747 CHERNJIKDDZNNV-CYBMUJFWSA-N 288.778 3.782 30 20 CHED CCCCCCCCNCc1cn2ccccc2n1 105838859 KGIZQWUAASDTPP-UHFFFAOYSA-N 259.397 3.784 30 20 CHED Cc1cccc(Cl)c1C(=O)Nc1ccc(F)c(C#N)c1 1358065746 RZWDGPACQSKYNN-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c2c1CCC2 1275465024 RGZHRHCVYYJJDK-KGLIPLIRSA-N 283.371 3.723 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)s1 1275984366 XBNVMLMMUUBJEJ-STQMWFEESA-N 290.432 3.956 30 20 CHED CC(C)C[C@@H](C(=O)N(C)[C@H](C)CC#N)c1ccccc1 1518826082 SSRRGYFSFGTGHU-GDBMZVCRSA-N 272.392 3.577 30 20 CHED CCCCCCCCC(=O)[C@@H](C#N)c1nccn1CC 1517064670 MZUHXBYRHQZMTJ-CQSZACIVSA-N 275.396 3.830 30 20 CHED CC[C@H](C)CCCCC(=O)[C@H](C#N)c1nccn1CC 1517046707 PISZUPGNPMNDPT-KBPBESRZSA-N 275.396 3.686 30 20 CHED CC1(C)CN(c2nc(C#N)c(Cl)s2)CC(C)(C)C1 1458307628 VUFRBOPQODPIJH-UHFFFAOYSA-N 283.828 3.931 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2csc(C#N)c2)[C@H](C)C1 1456644004 KRAOBEHDMGWVFP-GIPNMCIBSA-N 263.362 3.601 30 20 CHED C=C[C@@H](N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C)C(=O)O 1602817485 XUMCDSLYSRIVMI-CVEARBPZSA-N 289.419 3.910 30 20 CHED Cc1oc(C#N)cc1C(=O)NCC1(C)CCC(C)(C)CC1 1460934212 TZMDKYURMDGVGD-UHFFFAOYSA-N 288.391 3.796 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 1534722242 OQBIRFXPCNBPRX-MRXNPFEDSA-N 296.414 3.675 30 20 CHED N#Cc1ccccc1OCCN1CCC=Cc2ccccc21 1473386828 OUJKFPNJPFZPRB-UHFFFAOYSA-N 290.366 3.861 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1c(F)cccc1Cl 1538365595 JZRNKPQONIPGIG-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(CC)C(=O)N1CC=C(c2c(F)cccc2F)CC1 1548687386 FUSOVPVWVCGZQZ-UHFFFAOYSA-N 277.314 3.547 30 20 CHED CCc1nc(C#N)cc(NC[C@H]2CCCC[C@@H]2CC)n1 1559200998 FVQYSCGSJLPCGI-QWHCGFSZSA-N 272.396 3.539 30 20 CHED C#CCCCCC(=O)N(CCC)Cc1ccccc1 119537999 XNIALTSZOPFITF-UHFFFAOYSA-N 257.377 3.619 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccsc1Cl 1634988867 DLJOIHVKTOFGJU-UHFFFAOYSA-N 291.763 3.567 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C)CCC[C@H]2C)c1 1562939902 ZQSBVLLXYYMFQK-GXTWGEPZSA-N 285.391 3.909 30 20 CHED CCCC(CCC)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1640758496 UNCNOCPHMIXLAH-UHFFFAOYSA-N 298.390 3.898 30 20 CHED N#Cc1cccnc1NCc1ccnc(-c2ccccc2)c1 1643017598 YPMMWCVPOUAFTP-UHFFFAOYSA-N 286.338 3.627 30 20 CHED Cc1ccc(NCC(C)(C)CCC#N)c([N+](=O)[O-])c1 229682630 FVDKBPIEOPXGKV-UHFFFAOYSA-N 261.325 3.645 30 20 CHED COC1(CNc2nc(C(C)(C)C)ccc2C#N)CCCC1 1651900278 OZKMFTGJDQPRJF-UHFFFAOYSA-N 287.407 3.622 30 20 CHED C=CC[C@@H](C)NCc1cc(F)ccc1Br 121601914 UWEOZDFJJUGQNY-SECBINFHSA-N 272.161 3.642 30 20 CHED N#Cc1ccc(CCN2CCc3cc(Cl)ccc32)cc1 1656415196 RKTXHYVQSUVFOW-UHFFFAOYSA-N 282.774 3.817 30 20 CHED CCc1nc(C#N)cc(N[C@H](c2ccccc2)C2CCC2)n1 1655108886 AJVFRAGGYXRNAJ-GOSISDBHSA-N 292.386 3.864 30 20 CHED C=C(Cl)CNCc1cccc(-c2cccnc2)c1 1661539951 LHGWMULSICCNNE-UHFFFAOYSA-N 258.752 3.591 30 20 CHED C#CCCCNCc1ccc(OCCC(C)C)cc1 230705538 VITMZMJERANEJJ-UHFFFAOYSA-N 259.393 3.615 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CCC(C)(C)C2)c1C#N 1677351311 GOINFXBMMCLFHE-SNVBAGLBSA-N 277.393 3.628 30 20 CHED CCCCCCCCCCCN(C)[C@@H](C)C(=O)O 1776784537 ABAVJKBZKYECNF-AWEZNQCLSA-N 257.418 3.922 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@@H](C)C2CCCCC2)C1 1776154639 OPVAKDNKBALLFQ-QAPCUYQASA-N 293.451 3.946 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@H](C)C(C)(C)C)CC1 1776168426 NUVBGOKKOOXCBN-AWEZNQCLSA-N 281.440 3.802 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 150892636 SQMSLOYSQRPULU-GFCCVEGCSA-N 289.350 3.708 30 20 CHED N#Cc1ccccc1NC(=O)/C=C/SCc1ccco1 150904134 NMMDYPYRPOSXOB-VQHVLOKHSA-N 284.340 3.537 30 20 CHED CCCN(CCC)Cc1ccc(C#N)cc1Cl 162856744 FYGUULIECNJSBW-UHFFFAOYSA-N 250.773 3.834 30 20 CHED C=CCC[C@@H](CCC)NC[C@](C)(O)c1ccccc1 169171874 ABDRNMNUYGRDNH-SJORKVTESA-N 261.409 3.619 30 20 CHED CC(C)C[C@@H](C)N(C)C(=O)CSc1cccc(C#N)c1 158664765 VKIWMQWMZKOOQF-CYBMUJFWSA-N 290.432 3.543 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCCCCCC2)cc1 158959494 GKCQZQDEGLALNQ-HNNXBMFYSA-N 272.392 3.744 30 20 CHED CC[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 166541014 HUUYJGOPXWHABK-GWCFXTLKSA-N 298.308 3.581 30 20 CHED CCSc1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 153264185 LDKUQWCWZZCNEC-CQSZACIVSA-N 282.368 3.684 30 20 CHED C=CCCC(=O)Nc1cc(NC(=O)CCC)ccc1Cl 153267486 BHGWAYKWVRFUBJ-UHFFFAOYSA-N 294.782 3.983 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H](c2ccccc2)CC1 156231474 PMQOHOZQHAQLPM-MRXNPFEDSA-N 272.392 3.542 30 20 CHED CC[C@@H](C)CS[C@@H](C)C(=O)Nc1cccc(C#N)c1 124358452 FIIXUMGUOVIECA-NEPJUHHUSA-N 276.405 3.665 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)N[C@@H](C)CC#N 156917478 YZFQMLSMLOWQEC-JTQLQIEISA-N 295.770 3.552 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1ccc(C#N)cc1)C2=O 209261588 SQXTVIUGXKNOFA-SXGWCWSVSA-N 289.334 3.834 30 20 CHED C[C@H]1CC(C)(C)C[C@H]1Nc1cccc(OCC#N)c1 235590987 NHPZPQMYNCQXLN-SWLSCSKDSA-N 258.365 3.826 30 20 CHED Cc1ccc(C#N)c(NC2CCC(C(C)C)CC2)n1 1306996010 VKONEHYHLVSUBJ-UHFFFAOYSA-N 257.381 3.888 30 20 CHED N#CC1(NC(=O)[C@H]2CCCc3sccc32)CCCCC1 167012216 VXHAHBRNSFFOMU-ZDUSSCGKSA-N 288.416 3.511 30 20 CHED N#CC1CCN(CCOc2ccc(Cl)cc2Cl)CC1 32182017 QIFTTWTUCDLGSW-UHFFFAOYSA-N 299.201 3.608 30 20 CHED CCc1nc(C)c(CNc2ccc(C#N)c(Cl)c2)o1 292419361 WJVSQCSOXANNRQ-UHFFFAOYSA-N 275.739 3.683 30 20 CHED Cc1ccc(C(=O)N(CC#N)C2CCCC2)c(Cl)c1 191626391 CMUKXMFDAFIHLW-UHFFFAOYSA-N 276.767 3.557 30 20 CHED C#C[C@@H](NCc1csc(Cl)c1Cl)C(C)C 308831831 GLVAIDAELPJKRC-SECBINFHSA-N 262.205 3.802 30 20 CHED CCOc1ccc(CNc2cc(F)cc(C#N)c2)cc1 600862118 ULSQDVRMLCVIJY-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CC[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@H](O)CC 313092077 BCOJMHJFNFTLKJ-QWHCGFSZSA-N 286.297 3.538 30 20 CHED C[C@@H]1CC(Nc2cccc(Cl)c2C#N)C[C@@H](C)O1 519521378 DECKWLLAZROTDK-NXEZZACHSA-N 264.756 3.580 30 20 CHED C[C@@H]1CC[C@H](NCCc2cccc(C#N)c2)C[C@H]1C 466423312 QPSFOUSISAZWII-CPUCHLNUSA-N 256.393 3.515 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)(C)C 702267279 PRXSFHFDSYVESK-TUAOUCFPSA-N 261.331 3.745 30 20 CHED C=C[C@H]1CCCCN1C[C@@H]1CCC2(CCCCC2)O1 489451630 UNWLEZMECNWIIO-HOTGVXAUSA-N 263.425 3.909 30 20 CHED CCc1ccc(C(C)=NNCc2ccccc2)s1 744756430 VEAOWOYBAOQWBX-UHFFFAOYSA-N 258.390 3.824 30 20 CHED CC[C@@](C)(NCc1cccc(C#N)c1)c1ccccc1 107717937 LOJONQVFQICGRQ-GOSISDBHSA-N 264.372 3.973 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 107850079 JWWUJVJJJIVUHE-LSDHHAIUSA-N 292.810 3.804 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](OC1CCCC1)c1ccccc1 116859050 JHBLXTOWRKXYNE-PBHICJAKSA-N 287.403 3.768 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2sc3c(c2C#N)CCC3)C1 177094994 CHXDXNUYKQMEHM-QWRGUYRKSA-N 288.416 3.873 30 20 CHED N#Cc1cnc(N[C@@H]2CCO[C@H]2c2ccccc2)c(Cl)c1 176739273 BDXPYKICFDXZFH-CABCVRRESA-N 299.761 3.549 30 20 CHED C=CCOc1cccc(NC(=O)C(C2CC2)C2CC2)c1 119605794 WBEPFCDQOOXOIQ-UHFFFAOYSA-N 271.360 3.626 30 20 CHED C=CCN(CCc1ccccc1)Cc1cnn(C(C)C)c1 179618313 GWFKQTDSVZACKZ-UHFFFAOYSA-N 283.419 3.695 30 20 CHED CCS[C@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 176983465 PESQYPJATJOJHO-HOTGVXAUSA-N 274.433 3.712 30 20 CHED COc1cc(C#N)ccc1CNC(C)(C)c1cccc(F)c1 179572785 OETDLILLTXHSEW-UHFFFAOYSA-N 298.361 3.731 30 20 CHED COCc1cccc(OCCCOc2ccc(C#N)cc2)c1 171980575 KUIMBEGVISFTAW-UHFFFAOYSA-N 297.354 3.553 30 20 CHED CCCCO[C@@H]1C[C@H](N(C)CCCCC#N)C1(C)C 177736948 BSXXBDHKAGBPCM-LSDHHAIUSA-N 266.429 3.596 30 20 CHED C=CCCCC(=O)Nc1cnn(-c2ccccc2F)c1C 178648546 FHIWPFFZVQVNQQ-UHFFFAOYSA-N 287.338 3.615 30 20 CHED C=CCN(Cc1cccs1)Cc1cc(OC)ccc1O 179603236 QSDQIRVCZNSOPL-UHFFFAOYSA-N 289.400 3.651 30 20 CHED Cc1ncc(CN(C)CC#Cc2ccc(Cl)cc2)s1 177034330 VSMUPAMPKYIJBN-UHFFFAOYSA-N 290.819 3.588 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](Nc2ccccc2)C1 174841883 UNIUKPSLQRWQPP-INIZCTEOSA-N 271.408 3.503 30 20 CHED CCc1c(C)sc(NC(=O)CCC(C)C)c1C#N 68677717 IKYSEUNMLNLTHH-UHFFFAOYSA-N 264.394 3.865 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(OC)c(Br)c1 119309771 SHPLKLOSZRPFGQ-VHSXEESVSA-N 284.197 3.683 30 20 CHED Cc1ccc(N/C(N)=N\C[C@H](C)c2ccc(C)cc2)cc1 304759528 RHSLGYWZVYRHFH-HNNXBMFYSA-N 281.403 3.834 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)CCc2cc(O)ccc21 114075425 VQDGYCUAQCIOKH-LCYFTJDESA-N 268.287 3.744 30 20 CHED C=C(C)CNCc1c(C)nn(-c2ccc(Cl)cc2)c1C 119627326 CJLPMJQKLKIPDH-UHFFFAOYSA-N 289.810 3.808 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 179767770 YPYWELDZTUGQSL-JTQLQIEISA-N 296.754 3.723 30 20 CHED Cc1ccccc1CN(C)c1nc(Cl)c(C#N)s1 311166744 QXERAIISBFNASV-UHFFFAOYSA-N 277.780 3.613 30 20 CHED Cc1c(C(=O)N(CC#N)C2CCCC2)oc2c(C)cccc12 125268521 VHKNKHHMCBMEGG-UHFFFAOYSA-N 296.370 3.958 30 20 CHED N#Cc1cccc(Cl)c1N1CC[C@@H](Nc2ccccc2)C1 301420382 SBXOAHZIKOMUHA-OAHLLOKOSA-N 297.789 3.902 30 20 CHED CC/C=C(\C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 177778969 FOOQHYOFFOKLHS-RUYJGKKWSA-N 262.378 3.799 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CCC[C@H](C)C1 121646264 KSEDDWQDRNHRBM-KBPBESRZSA-N 264.413 3.791 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cn1 302470474 CSMQQARLQLBMRT-JKSUJKDBSA-N 277.371 3.777 30 20 CHED CC(C)CCC/N=C(/N)Nc1ccc(OC(C)C)cc1 303895356 PJMUWWQGUSEHMZ-UHFFFAOYSA-N 277.412 3.637 30 20 CHED CC[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H](C)O1 302185824 HUUYJGOPXWHABK-MFKMUULPSA-N 298.308 3.581 30 20 CHED CC[C@@H](CSc1ccccc1)Nc1ccc(C#N)cn1 301789572 YKYBJNKJEDYAOQ-AWEZNQCLSA-N 283.400 3.936 30 20 CHED Cc1ccc(C/N=C(/N)Nc2ccc3c(c2)CCC3)c(C)c1 303887044 KSGKJHSJZHPZJY-UHFFFAOYSA-N 293.414 3.719 30 20 CHED CC(C)[C@@H]1CCCN(c2snc(Cl)c2C#N)CC1 301304957 TYWSLULWLIBQQT-SNVBAGLBSA-N 283.828 3.931 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C 182771616 ZOAHFGJVMAEXMO-NSHDSACASA-N 291.351 3.770 30 20 CHED N#Cc1cc(F)ccc1CSc1ccccc1O 71264586 AHTJSQCWNFWDOW-UHFFFAOYSA-N 259.305 3.695 30 20 CHED N#Cc1ccnc(SCc2ccc(Cl)cc2C#N)c1 186589071 INSZPHJHHUWVTK-UHFFFAOYSA-N 285.759 3.771 30 20 CHED C=CCOc1ccc(C(=O)N(CC)c2ccccc2)cc1 74382046 DDXNDCRBQURHHJ-UHFFFAOYSA-N 281.355 3.918 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(OC)c(Cl)c1 187806887 ZQIIFGPWJRIBQY-OAHLLOKOSA-N 297.782 3.516 30 20 CHED C=CCC[C@@H](N[C@H](C)c1ccc(NC(N)=O)cc1)C1CC1 121159985 DCVNWKMCYUHXNX-MLGOLLRUSA-N 287.407 3.573 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc(-c2nc(C)cs2)c1 123127942 NLEOPUCBGOQPFY-LLVKDONJSA-N 286.400 3.813 30 20 CHED CCCN(CC#N)C(=O)C[C@@H](C)c1ccc(CC)cc1 78082805 NMOABRQRDYLFJE-CQSZACIVSA-N 272.392 3.505 30 20 CHED COc1c(Cl)cccc1NCc1ccc(F)c(C#N)c1 124203742 GRVRCYHOXDZCNG-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCc1cc(NC(=O)c2cccc(C#N)c2C)ccc1C 509314812 QZOKFYAUIWLYFE-UHFFFAOYSA-N 278.355 3.990 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2nc(C)co2)cc1 188437556 OSMDGUGNMKCGOI-CYBMUJFWSA-N 258.346 3.518 30 20 CHED N#Cc1ccc(CNc2ccccc2OC(F)F)c(F)c1 37326332 ZKQXSPFSAVVXLQ-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=C(C)COc1cccc(NC(=O)c2c(C)ccn2C)c1 189664226 QQSWIDFFTIQCEN-UHFFFAOYSA-N 284.359 3.541 30 20 CHED Cc1ccc(CC(C)(C)NCCC(C)(C)C#N)cc1 419341486 YPOQYANKZSKPSH-UHFFFAOYSA-N 258.409 3.846 30 20 CHED CC[C@@H]1[C@@H](C)CCN1Cc1ccc(N(C)CCC#N)cc1 187580776 UWMDTOCDWPJNBW-MAUKXSAKSA-N 285.435 3.657 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(OC)c2ccccc12 187993392 LDIZAFNIVWCGFP-LBPRGKRZSA-N 283.327 3.697 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](CC)Cc1ccccc1 188159928 HOGOMJFAFMHZLX-WBVHZDCISA-N 259.393 3.726 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc(C)s1 72692948 ZDKNFZPUCMMVCD-UHFFFAOYSA-N 265.426 3.603 30 20 CHED N#C[C@@H](NC(=O)CCCc1ccccc1)C1CCCCC1 40360118 INJNOFAEAKGAKT-QGZVFWFLSA-N 284.403 3.598 30 20 CHED FC(F)(F)c1cccc(CO/N=C2/CCCOCC2)c1 180479855 MWOMSNXALBKKAF-AQTBWJFISA-N 287.281 3.779 30 20 CHED Cc1ccc(CN[C@@H](CCC#N)c2ccccc2)o1 130461498 OPKSNIZMHOKRRF-INIZCTEOSA-N 254.333 3.723 30 20 CHED C[C@H](CN(C)[C@@H](C)CC#N)c1cccc(Cl)c1 187181091 SGQZTTWEFGDZIR-NEPJUHHUSA-N 250.773 3.677 30 20 CHED C=CCCC(=O)CSc1nc2ccccc2n1CC=C 134642619 ZXTYEQJQTDXNAN-UHFFFAOYSA-N 286.400 3.850 30 20 CHED C[C@H](NC(=O)C1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 502735757 HOHOKLBHWJZVOO-MCIONIFRSA-N 284.403 3.808 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccc(C#N)s2)c1C 134513355 BKHLQPOEIQHJQN-VOTSOKGWSA-N 299.399 3.739 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)O[C@@H](C)C(C)(C)C#N 130983662 RTUGSHKSPJNEFP-LBPRGKRZSA-N 284.359 3.500 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@@H](c1ccccc1)C(C)C 410829236 QEEKKVNSKMSVIV-DLBZAZTESA-N 286.419 3.967 30 20 CHED CC(C)c1ncncc1/C(O)=N/[C@@H]1CSc2ccccc21 329682875 YVAYZMRGVRLTAF-CYBMUJFWSA-N 299.399 3.752 30 20 CHED C#CCCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 192042587 ODMHQBVOUDNWPG-UHFFFAOYSA-N 289.334 3.934 30 20 CHED C[C@@H](OC(=O)c1csc2ccccc12)C(C)(C)C#N 130891637 NFTNEFOQCIACQM-SNVBAGLBSA-N 273.357 3.996 30 20 CHED OC(=Nc1nncn1C1CC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329123701 RXIPTKKRQBRQRS-IACUBPJLSA-N 288.395 3.808 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2ccccn2)ccc1Cl 135027321 CEDIWJXFRXIFEN-GFCCVEGCSA-N 270.719 3.534 30 20 CHED C[C@H](C1CC1)N(C)Cc1cc(C#N)ccc1Br 191773368 NMYKMZRXVKJQRA-SNVBAGLBSA-N 293.208 3.551 30 20 CHED Cc1nc(SCC#Cc2ccc(F)cc2)oc1C 135290078 PMXWTLPDPGDBQP-UHFFFAOYSA-N 261.321 3.574 30 20 CHED Cc1nnc(CSC/C(O)=N/C2CCCCCC2)s1 329133742 BKCUBCLQPFIFLJ-UHFFFAOYSA-N 299.465 3.759 30 20 CHED C=CCC1(c2nc(Cc3ccc(OC)cc3)no2)CCC1 191260001 FUPBXYMZFPMYEI-UHFFFAOYSA-N 284.359 3.667 30 20 CHED O/C(=N/Cc1ccsc1)Nc1cnc2c(c1)CCCC2 329357463 ZVPCPUUYMDRIDJ-UHFFFAOYSA-N 287.388 3.548 30 20 CHED N#Cc1ccncc1N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 89268912 PDRMZTJYSIVIKP-GDBMZVCRSA-N 299.761 3.549 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(CCCSCC#N)C1 80629368 DIQPOXVBDDYQPM-BBRMVZONSA-N 292.423 3.855 30 20 CHED C=CCN(Cc1cc(C)ccc1OC(F)F)C1CC1 428301196 OBIKLRHNCPSLMI-UHFFFAOYSA-N 267.319 3.747 30 20 CHED CCc1ccc(-c2ccc(CN(CC#N)C3CC3)o2)cc1 511971071 GHHNOFHSYSPXEK-UHFFFAOYSA-N 280.371 3.997 30 20 CHED C=CCC[C@@H](C)OC(=O)Cc1c[nH]c2ccc(OC)cc12 89318028 PAFYXHRINZTCQQ-GFCCVEGCSA-N 287.359 3.617 30 20 CHED N#Cc1ccc(CN2C[C@H]3CC[C@H]2c2ccccc23)o1 334447504 IBXYVIARAMVSBV-PXAZEXFGSA-N 264.328 3.586 30 20 CHED N#Cc1nccnc1Oc1ccc(Cl)c(C(F)(F)F)c1 336511631 RSIDETDJUWXVCW-UHFFFAOYSA-N 299.639 3.813 30 20 CHED Cc1cc(C)c(NC(=O)N2CCC(CC#N)CC2)c(C)c1 334166897 ALFDSYGPGUGACI-UHFFFAOYSA-N 285.391 3.769 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nccc2sccc12 424764737 RGFLVSIRGVUTCV-UHFFFAOYSA-N 260.362 3.837 30 20 CHED CCS[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 421369472 VTRAEIUJSUOFEF-HUUCEWRRSA-N 292.423 3.851 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)NCC(C)(C)CCC#N 513113886 TXLYAUUGFMKBGD-HNNXBMFYSA-N 293.455 3.927 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)[C@H]1CCSc2ccccc21 330050060 LINDGHAHYKRPGF-UBHSHLNASA-N 286.400 3.915 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1ccc(C#N)cc1F 513701856 APVZAUIXBKWBFV-CYBMUJFWSA-N 280.346 3.817 30 20 CHED N#Cc1ccncc1NC[C@H]1CCCO[C@@H]1c1ccccc1 94150203 HDCKXDJHWKYWTC-SJLPKXTDSA-N 293.370 3.533 30 20 CHED CSc1ccccc1COc1cc(F)cc(C#N)c1 518951385 XBNZADHIFIRPJS-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=CC[C@H](CO)CN[C@H](c1ccc(C)cc1)C1CCC1 427521574 KWCVYGNSYFNUQP-YJBOKZPZSA-N 273.420 3.610 30 20 CHED Cc1c(C#N)cccc1C(=O)N(CC1CCC1)CC1CC1 337992453 ANGVUJICWQBRIK-UHFFFAOYSA-N 282.387 3.519 30 20 CHED CC1(C#N)CCN(C(=O)CCc2cc3ccccc3o2)CC1 335973325 IZKXCDAJIRFMFL-UHFFFAOYSA-N 296.370 3.518 30 20 CHED CCCC[C@H](CC)CC(=O)NCCc1cccc(C#N)c1 514619238 HTARIVDCLUNZIL-HNNXBMFYSA-N 286.419 3.823 30 20 CHED CCN(CCC#N)CCCSCc1ccccc1 90551541 LQEOABJYLBUWNA-UHFFFAOYSA-N 262.422 3.545 30 20 CHED CC(C)[C@@H](C/N=C(/O)N[C@H]1CC[C@@H](C)C1)c1cccnc1 331224016 LXYOZHAWDPNYBX-VNQPRFMTSA-N 289.423 3.513 30 20 CHED CC(C)C1CCC(NC(=O)c2ccc(CC#N)cc2)CC1 330489938 LFTUAJNVMDRLDU-UHFFFAOYSA-N 284.403 3.697 30 20 CHED CC1(C)SC[C@@H]1N[C@H]1CCCCc2cc(C#N)ccc21 338794432 PMXOHZUIHISYTC-HOTGVXAUSA-N 286.444 3.809 30 20 CHED CCC(C)(C)CCn1cc(C#N)c(=O)c2ccccc21 432551585 GZKAIUFKIRZBDO-UHFFFAOYSA-N 268.360 3.699 30 20 CHED CC(C)(C)c1cc(NC(=O)C2=CCCC2)c(C#N)s1 91208327 ZQBWMAGEIIBCQH-UHFFFAOYSA-N 274.389 3.966 30 20 CHED CCOc1ccccc1OCCOc1ccc(C#N)c(C)c1 434650608 OSFAPEZGJDTARG-UHFFFAOYSA-N 297.354 3.723 30 20 CHED CN(CCC#N)c1ccc(CN2CCC[C@H]3CCC[C@H]32)cc1 245561732 OGXSAOQNGKWLQF-IEBWSBKVSA-N 297.446 3.801 30 20 CHED Cc1nnc(SCCCCC(C)(C)C#N)n1C(C)C 436251617 FRCSUWCCXVUEFT-UHFFFAOYSA-N 280.441 3.980 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1 248586183 GFGMLHGCACOEQG-KCYZZUKISA-N 286.419 3.892 30 20 CHED Cc1c(N[C@H](C)c2ccc(C#N)cc2)cnn1CC(C)C 347325311 AWLKXMXPMJGREV-CYBMUJFWSA-N 282.391 3.892 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NCc1ccc(CC#N)cc1 342434772 JMEWJLPMGYZEBY-UHFFFAOYSA-N 281.315 3.581 30 20 CHED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C)o1 247848133 TXBWVFMHEOAMFJ-UHFFFAOYSA-N 296.370 3.819 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCCc2ccccc21 349382392 BQXAZWWJSHOOGK-GOSISDBHSA-N 298.430 3.895 30 20 CHED COc1ccc2c(c1)[C@H](NCC(C)(C)CCC#N)CC2 348218178 QRCSPNPWMAXPIC-MRXNPFEDSA-N 272.392 3.602 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCOc2ccc(OC)cc21 344093040 CHVMOBZDMIINRT-CZUORRHYSA-N 275.392 3.853 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 434017630 RWRWWOWXAXURHT-RDJZCZTQSA-N 298.430 3.714 30 20 CHED C=C(CN[C@H](C)c1cncc(F)c1)c1ccccc1 346778050 LPUZWCRUIJCNIY-CYBMUJFWSA-N 256.324 3.585 30 20 CHED CCc1cccc2c1OCC[C@H]2NC[C@@H](C)CCC#N 602544299 OCLSMQXAYGKGJI-XJKSGUPXSA-N 272.392 3.602 30 20 CHED Cc1ccnc(N2CC=C(c3ccc(C#N)cc3)CC2)c1 348102704 BSABSTIUTPNKIW-UHFFFAOYSA-N 275.355 3.555 30 20 CHED CSc1ccccc1CN(C)c1snc(C)c1C#N 343049876 AVOUACOJXBOJKF-UHFFFAOYSA-N 289.429 3.682 30 20 CHED COc1ccc(C#N)cc1CN1CCc2ccccc2[C@H]1C 437574177 DXTJJVHRNORSCL-CQSZACIVSA-N 292.382 3.686 30 20 CHED CCCOCc1ccccc1CNc1nccc(C)c1C#N 343446992 YTYNUKWMNSHMAC-UHFFFAOYSA-N 295.386 3.800 30 20 CHED CC[C@@H]1c2ccsc2CCN1C[C@@H](C)CCC#N 602445040 MOVMRAPYMNASSI-GXTWGEPZSA-N 262.422 3.997 30 20 CHED Cc1c([C@H](C)NCC(C)(C)CCC#N)cnn1C(C)(C)C 348246077 RHVOLCXAWSRSPJ-ZDUSSCGKSA-N 290.455 3.927 30 20 CHED CC[C@@H](CC#N)NCc1cc(Cl)c(OC)cc1Cl 184092125 NTISHMNVOJNMHY-JTQLQIEISA-N 287.190 3.784 30 20 CHED C=CC1CCN(CCCc2cccc(OC)c2)CC1 525122216 ZYUSXMBDOYCZST-UHFFFAOYSA-N 259.393 3.526 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(C#N)oc1C)c1ccccc1 436145793 JHLWTOXCBCWBGA-QGZVFWFLSA-N 294.354 3.897 30 20 CHED CC[C@H](NCCc1sc(C)nc1C)c1ccc(C#N)cc1 447527135 FFJYOCZMTLJIOM-INIZCTEOSA-N 299.443 3.915 30 20 CHED N#C[C@@H]1CC[C@H](NCCCCc2ccc(F)c(F)c2)C1 442846520 ZRRSZLZOFLBXLT-KGLIPLIRSA-N 278.346 3.569 30 20 CHED N#C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C1CC1 601073787 FBAQTLXMHPDBPP-CYBMUJFWSA-N 274.320 3.875 30 20 CHED C=CCCC1(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)CC1 357655651 MUIJVCNLRDDJIX-HZPDHXFCSA-N 269.388 3.653 30 20 CHED Cc1cn(CC[C@H](C)OCc2ccccc2)cc1C#N 530436930 SQSZHOFODDVZBZ-HNNXBMFYSA-N 268.360 3.664 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)cc1 609116914 MGFUMOGPBGOEMM-ZBFHGGJFSA-N 270.376 3.647 30 20 CHED Cc1ccc(-c2noc([C@H](C)Oc3ccc(C#N)cc3)n2)o1 350806641 SXKKINRBYYNSCX-NSHDSACASA-N 295.298 3.650 30 20 CHED Cc1cc(CN[C@H]2C[C@H]2Cc2ccccc2)ccc1C#N 443982652 DPIYUBNEOGUBNT-MOPGFXCFSA-N 276.383 3.588 30 20 CHED C=CCCOCCN[C@H]1CCCOc2c(C)cc(C)cc21 358380984 XUWSQJHAUKUZSP-KRWDZBQOSA-N 289.419 3.699 30 20 CHED C=C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 353320081 JLUHFSFZHQYRHT-UHFFFAOYSA-N 274.383 3.578 30 20 CHED CCCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(C)c1 442852301 HJVMXIYTBFGLEJ-HOCLYGCPSA-N 272.392 3.566 30 20 CHED C[C@]1(C#N)CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 612107729 UCQDMKZVURVICK-CQSZACIVSA-N 293.292 3.707 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(c3cccnc3)CCCC2)C1 617778726 MUSWOYCEEUYXPY-MRXNPFEDSA-N 298.430 3.708 30 20 CHED COC(=O)c1cccc(CSc2ccccc2C)c1C#N 535921561 DVHMCPMYXUUINC-UHFFFAOYSA-N 297.379 3.946 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCCCC(C)(C)C1 350728479 CERYHNMLINUTRT-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CC[C@@H](CO)CNC(=O)[C@H](CCC)CC1CCCCC1 539322972 ROJSTWCOQJYSHE-IAGOWNOFSA-N 295.467 3.674 30 20 CHED C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@](C)(C#N)C1 615837636 PHDVFMAMKYJLMR-RKCSUWQLSA-N 299.374 3.624 30 20 CHED Cc1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 356956340 LBCHJJIMZFHOJG-UHFFFAOYSA-N 277.283 3.709 30 20 CHED Cc1cccc(C)c1OCCSCC1(C#N)CC1 538419037 YVMGBZFKHOSUBW-UHFFFAOYSA-N 261.390 3.719 30 20 CHED CC[C@@H](C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 264329695 JZWMPTNLWASSJS-KCJUWKMLSA-N 285.174 3.720 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H](C)[C@H](C)CC 354105667 DHDSAUIZCMYHHW-VXGBXAGGSA-N 273.380 3.611 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 359371813 FEYVKVYPTIBTRD-HRCADAONSA-N 274.408 3.521 30 20 CHED CCC[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612236289 GCEPIWMMTVLPQI-FUHWJXTLSA-N 284.403 3.723 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCc1cc(F)cc(F)c1 537184847 GOMSGFJOSTYTIC-LBPRGKRZSA-N 296.361 3.551 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 459943037 DXVXEURMZVXYSV-CQSZACIVSA-N 286.419 3.630 30 20 CHED COC(=O)c1cccc(CSc2cccc(C)c2)c1C#N 533716406 JCRZDNUQSHSFRY-UHFFFAOYSA-N 297.379 3.946 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2Cl)[C@H]1c1ccncc1 368029400 OAZBAUMVQLZNBA-AWEZNQCLSA-N 298.777 3.589 30 20 CHED C=C(CNC(=O)[C@@H]1CCC[C@@H]1CC)c1ccccc1 451754302 ISDNHQZJBOTKFO-GOEBONIOSA-N 257.377 3.642 30 20 CHED CCc1cccc(N(C)C(=O)[C@@H](C)c2cccc(C#N)c2)c1 457321424 AIKXLKDOKVKRHS-AWEZNQCLSA-N 292.382 3.887 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C[C@@H]1CCc2ccccc21 613363443 KLRFWNFFTGVRQP-KBXCAEBGSA-N 284.403 3.551 30 20 CHED CC(C)COCCCN[C@H]1CCCc2cc(C#N)ccc21 611390396 XKHNSHNULYEMLF-SFHVURJKSA-N 286.419 3.588 30 20 CHED C=C[C@H](CC(=O)NCCOC(C)(C)CC)c1ccccc1 457345264 OZXFINDNCDGTLS-OAHLLOKOSA-N 289.419 3.668 30 20 CHED Cc1cccc2c(N3C[C@@H]4[C@@H](C3)C4(C)C)c(C#N)cnc12 610282073 KTABYSBWTQVXAU-HUUCEWRRSA-N 277.371 3.507 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCC[C@@H]1c1ccccc1 450621976 HTUHKPLGFZEGFI-QGZVFWFLSA-N 293.370 3.562 30 20 CHED Cc1ccnc(N[C@H]2c3ccccc3CC[C@@H]2C)c1C#N 541351178 KPTCCJOYEYJQFO-SUMWQHHRSA-N 277.371 3.997 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 279126591 XQUPBFZSBNXNSL-OLZOCXBDSA-N 270.376 3.742 30 20 CHED C[C@H](NC[C@@H](c1ccsc1)N(C)C)c1cccc(C#N)c1 271878784 OTCMGYRFCUMTAW-GUYCJALGSA-N 299.443 3.573 30 20 CHED C#Cc1ccc(CN[C@@H]2CCCc3cnn(C(C)C)c32)cc1 367360987 MGGNORWUWLQCFQ-GOSISDBHSA-N 293.414 3.613 30 20 CHED C=CCCNC(=O)C(C)(C)c1ccc2ccccc2c1 617616248 OLRSRGYUYNHXFL-UHFFFAOYSA-N 267.372 3.810 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC(C)(C)C#N 278247098 LVRJTJYROMOVSP-AWEZNQCLSA-N 286.419 3.799 30 20 CHED C[C@@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)CC(C)(C)C 613365894 PYDBCDXMYVDUFT-LRDDRELGSA-N 266.429 3.893 30 20 CHED COCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 363717902 HYEUHUCYELWWFV-AWEZNQCLSA-N 280.371 3.522 30 20 CHED N#Cc1cccc(Cl)c1NCc1cn2ccsc2n1 362560679 NPEXOMIMNBXKCS-UHFFFAOYSA-N 288.763 3.533 30 20 CHED C=CCC1(NC(=O)c2c(F)cc(C)cc2F)CCCC1 622959799 ODRKJXHGZRGJJT-UHFFFAOYSA-N 279.330 3.892 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2cscc2C)c1 362666227 PRMLGLYVTOIHFU-UHFFFAOYSA-N 270.357 3.743 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2ccccc2o1 620864156 SGGGPWJPVWUJQX-UHFFFAOYSA-N 257.333 3.907 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1ccccc1 277200773 GNFAWXFMYJPTNJ-MRXNPFEDSA-N 277.408 3.980 30 20 CHED C=CCN(C(=O)c1coc2cc(C)c(C)cc12)C1CC1 274614680 KXIWLLDUIAWSJX-UHFFFAOYSA-N 269.344 3.840 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 544835059 VFZGWSRZCQRBGN-CYBMUJFWSA-N 257.377 3.709 30 20 CHED N#CC1(CN2CCC(Cc3cc(F)ccc3F)CC2)CC1 451964767 LHTVTXLTTJGPST-UHFFFAOYSA-N 290.357 3.523 30 20 CHED C=CCC[C@@H](NC[C@H]1CCOC2(CCC2)C1)C1CC1 453328189 WPSXEJVCJKXAND-GOEBONIOSA-N 263.425 3.670 30 20 CHED C=C(C)CCSc1nnc(Cc2ccccc2OC)o1 274778924 XDZAJICYUIIZHC-UHFFFAOYSA-N 290.388 3.727 30 20 CHED C=CCN(C(=O)c1sc(C(C)(C)C)nc1C)C1CC1 271457123 FNVJUXDKBGSCPT-UHFFFAOYSA-N 278.421 3.540 30 20 CHED C[C@H]1[C@@H](C(F)(F)F)CCCN1CCC(C)(C)C#N 548496965 YYCAUKAVFXCMCN-QWRGUYRKSA-N 262.319 3.589 30 20 CHED CC(C)CC1(CNC(=O)C2(C#N)CCCCC2)CCC1 465096969 VMWIZYCXZBSMIJ-UHFFFAOYSA-N 276.424 3.793 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N(C)C[C@@H](C)C#N 274227611 WCZMMKRUCMDRAH-JTQLQIEISA-N 296.823 3.684 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@@](C)(C#N)C(C)(C)C 464170784 YCSZBSLDPSSEOW-DOMZBBRYSA-N 252.402 3.503 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCCC)C(C)C 621989542 MLHGXOMHUMWKKL-XHSDSOJGSA-N 281.440 3.546 30 20 CHED C=C(C)CCc1noc([C@@H](C)N2[C@@H](C)CC[C@H]2C)n1 285105870 LPCHTVPHODOYEE-FRRDWIJNSA-N 263.385 3.512 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 465148355 VFYWMGYZTGNYCD-SECBINFHSA-N 296.292 3.501 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccc(F)c(C#N)c1 556425824 SRNONFDVPVJRBI-AWEZNQCLSA-N 276.355 3.786 30 20 CHED N#Cc1ccccc1CSCCN[C@H]1CC[C@H]1C1CC1 554349218 QXLGTNVLQXOMEA-IRXDYDNUSA-N 286.444 3.570 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(F)c(OC)c2)n1 551496613 NBEGNTDGBBGYSN-UHFFFAOYSA-N 276.311 3.738 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 281091747 PDCWUBIGRVLGTC-QJPTWQEYSA-N 279.330 3.539 30 20 CHED CC#CCCCC(=O)Nc1cc(F)ccc1NC1CC1 633914884 SSZYHPYIXRRIQB-UHFFFAOYSA-N 274.339 3.532 30 20 CHED N#CCc1ccc(CN2CC[C@@H](c3ccccc3F)C2)cc1 550210606 IHPRIPRJHHPFAI-QGZVFWFLSA-N 294.373 3.881 30 20 CHED CC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)C1CCC(C)CC1 461019695 APJKBJSPNSIEDF-WUCCLRPBSA-N 278.440 3.893 30 20 CHED C=CCCOc1cc(F)c(Br)cc1C(C)=O 559131982 LKFGOWKGQFOFLO-UHFFFAOYSA-N 287.128 3.746 30 20 CHED COc1ccc(CC/C(C)=N/OCCC(C)(C)C#N)cc1 281777785 DMYLVHIWGNGSGK-XMHGGMMESA-N 288.391 3.960 30 20 CHED COc1ccccc1[C@@]1(C)C[C@@H]1Nc1ccc(C#N)cc1F 462879375 QQJIAMMPIGVYLJ-ZWKOTPCHSA-N 296.345 3.848 30 20 CHED C=CC[C@H](CC)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 467415261 YHMHMRYUFYBEJY-VNTMZGSJSA-N 298.474 3.841 30 20 CHED C[C@@](C#N)(NC(=O)c1ccc(Cl)o1)C1CCCCC1 550748900 YHWGMRUQXRIORF-AWEZNQCLSA-N 280.755 3.525 30 20 CHED CC#CCCCC(=O)NCc1ccc(C(C)C)cc1 464565644 CCBCFUZBSLUEFR-UHFFFAOYSA-N 257.377 3.620 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C(F)(F)F)cs1 280780290 PHPKVDPRQRDHSZ-SCZZXKLOSA-N 292.326 3.555 30 20 CHED C[C@H]1/C(=C/c2ccc(C#N)cc2)C(=O)c2ccccc21 809159793 WYOSWAWQAKUTTK-HJPCULJESA-N 259.308 3.942 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 476896902 SUUFUVXBHMMOFC-INIZCTEOSA-N 298.430 3.996 30 20 CHED C[C@@H](SCc1cc(F)ccc1C#N)C(=O)OC(C)(C)C 479720190 NZGUFAGNRBPXLU-SNVBAGLBSA-N 295.379 3.661 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(Cl)s2)no1 809474058 VXOYEDPJTMYMIC-UHFFFAOYSA-N 266.753 3.752 30 20 CHED C=CCCCC(=O)Nc1nc(-c2ccc(C)s2)ns1 479656759 FYFYOFLKJBBMCS-UHFFFAOYSA-N 293.417 3.870 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@H](C)C(CC)CC 804834030 VBYPWRYCYFAFMM-OAHLLOKOSA-N 271.404 3.721 30 20 CHED C#Cc1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1 809612949 GCBFRMYXZSUIFJ-UHFFFAOYSA-N 288.394 3.790 30 20 CHED CC(C)(C#N)CC(=O)N1CCCc2c(F)ccc(Cl)c21 297741643 NHKDWQBEVVURSN-UHFFFAOYSA-N 294.757 3.698 30 20 CHED CCCN(CC(C)C)C(=O)Nc1cc(C#N)ccc1C 299359722 DJLKWBWATHJCDG-UHFFFAOYSA-N 273.380 3.767 30 20 CHED FC(F)(F)CNN=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2 807986415 YHMPWYGCZJWEML-OKILXGFUSA-N 296.336 3.709 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cccc(C(F)F)c1 802827035 PTNZIOBHGANVEK-CQSZACIVSA-N 267.275 3.607 30 20 CHED C=CCC(C)(C)C(=O)NCc1coc(-c2ccccc2)n1 292644483 DKEVWMHPGDUJJO-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C=C(C)CCNc1ccc(OCC(=O)OC)c2ccccc12 809189857 HSYAYQADNZEVBK-UHFFFAOYSA-N 299.370 3.770 30 20 CHED Cn1cnc(/C=C\C(=O)c2cccc(Cl)c2Cl)c1 800793134 HSIGEMAMWWTNNV-WAYWQWQTSA-N 281.142 3.623 30 20 CHED C=CCOc1ccc(CN(CCCOC)C(C)(C)C)cc1 474159228 OIRFINKRDTXKPV-UHFFFAOYSA-N 291.435 3.888 30 20 CHED C=C(C)[C@H](NC(=O)NCCC(C)C)c1ccc(F)c(F)c1 477735692 BNTLUJKSYAYXGV-HNNXBMFYSA-N 296.361 3.927 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1nccnc1C1CCC1 807992091 ZGGAKEJLDKYWGY-NEPJUHHUSA-N 272.396 3.968 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 568700151 ZTBMNPWLSNODJB-QYZOEREBSA-N 298.430 3.729 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)CCCCCC#N)[C@@H]1C 805911876 USOQLSOYQTVLCZ-MCIONIFRSA-N 251.370 3.828 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2ccccc2Cl)c1 806559383 ZESWOJPYRGPFNG-CMDGGOBGSA-N 286.714 3.934 30 20 CHED C#CCCCCNCc1ccc(Sc2ccccn2)o1 292775109 TUINUSSJBIEEFE-UHFFFAOYSA-N 286.400 3.719 30 20 CHED C#Cc1ccc(CN(C)[C@@H]2CCc3ccccc32)cc1 809542668 JEAVRCADPXBSHP-LJQANCHMSA-N 261.368 3.787 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)c1ccc(C#N)c([N+](=O)[O-])c1 562233094 JPWAYUCXYXQWFQ-NSHDSACASA-N 299.305 3.803 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc([S@@](C)=O)cc1 293844775 YAIRGJFWFWAGBF-ORAYPTAESA-N 279.449 3.677 30 20 CHED COc1ccc2cc(CN[C@@H]3CC[C@@H](C#N)C3)ccc2c1 472138352 MARVUQYWWDKTEH-CXAGYDPISA-N 280.371 3.630 30 20 CHED C#Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)nc1 805263039 FZBUQDHLUZNKIM-UHFFFAOYSA-N 298.345 3.982 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 563934354 BJSVDGKREDUHBP-OLZOCXBDSA-N 276.355 3.755 30 20 CHED c1ccc2sc(NN=C3C[C@H]4CC[C@H]3C4)nc2c1 814686652 UXWBXNAZCVQOIB-UWVGGRQHSA-N 257.362 3.884 30 20 CHED C[C@H](NN=C1CC(C)(C)Cc2occc21)c1ccncc1 819815053 LGLRCPSXABFRDZ-LBPRGKRZSA-N 283.375 3.702 30 20 CHED C=CCCCC(=O)N(C)c1cccc(OC(F)(F)F)c1 480867869 UJMBATPCGRLFKY-UHFFFAOYSA-N 287.281 3.904 30 20 CHED CC1(C)COc2ccc(C(=O)OCC3(C#N)CCCC3)cc21 810660216 LFLRGFFFDXPZEE-UHFFFAOYSA-N 299.370 3.597 30 20 CHED C[C@H]1CC[C@@H](CNC2CCN(c3ccc(C#N)cc3)CC2)C1 560545790 WPYQFDUPXFNSRA-DOTOQJQBSA-N 297.446 3.553 30 20 CHED C=CCC(F)(F)C(=O)N(CC(C)C)c1ccc(C#N)cc1 815142510 ULGGPKSWPXXEOE-UHFFFAOYSA-N 292.329 3.759 30 20 CHED Fc1cc(F)cc(C2CC(=NNc3cccc(F)n3)C2)c1 814928160 YVOAVUIDMUGOPX-UHFFFAOYSA-N 291.276 3.844 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 483421858 OVXNKKALBHVTOJ-ZWKOTPCHSA-N 298.430 3.768 30 20 CHED C=CCCCCCCCNC(=O)c1oc(CC)nc1C 816746472 BAIHKLMMAYSFJA-UHFFFAOYSA-N 278.396 3.802 30 20 CHED C=CCCCC(=O)NC[C@@H](CC)Oc1ccccc1Cl 482629566 MCRMTRLXZVOMJG-CYBMUJFWSA-N 295.810 3.970 30 20 CHED C[C@@H](NN=C1CC[C@H]2CNc3cccc1c32)C(C)(C)C 814938690 RWPCPTYVGMYKPZ-NEPJUHHUSA-N 271.408 3.718 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N(C1CC1)C1(C#N)CCC1 578162873 VZKCJEMOQYXBAT-UHFFFAOYSA-N 297.402 3.564 30 20 CHED Cc1ccoc1C=NNc1nnc(-c2ccccc2)s1 814948850 IHFHWQVRIPVIKK-UHFFFAOYSA-N 284.344 3.553 30 20 CHED CCc1nnc(C/N=C/c2c(O)ccc3ccccc23)s1 811625104 CZKRPABPPZTTLA-RQZCQDPDSA-N 297.383 3.578 30 20 CHED N#Cc1ncccc1NCCCc1ccc(Cl)cc1 570134644 AOVYUJIFVHQKGV-UHFFFAOYSA-N 271.751 3.651 30 20 CHED CCC(=NNc1ccc(OC)cn1)c1ccc(F)cc1F 814908883 FNBCUOPIHSYPDL-UHFFFAOYSA-N 291.301 3.595 30 20 CHED C=C1[C@@H](OC(=O)c2ocnc2C2CC2)C[C@H]2C[C@@H]1C2(C)C 813092320 KOGQYGXBKXBNPN-AGIUHOORSA-N 287.359 3.700 30 20 CHED CCC(Cc1cccs1)=NN[C@@H](C)c1ccncc1 819815656 TUPFZEIUIREKQJ-LBPRGKRZSA-N 273.405 3.802 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)oc1C 488832994 VCOODSWVSZXBLN-HNNXBMFYSA-N 296.370 3.831 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ccccc1C(=O)O 812446166 QGJBXHJZNLSEMI-UHFFFAOYSA-N 298.342 3.538 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1cccnc1C#N)CCC2 488742015 CZUSXUJQZUNVSZ-OAHLLOKOSA-N 263.344 3.751 30 20 CHED Cc1ccc(SCCOC(=O)CCCC#N)cc1C 812619098 YFNNRYAOSNNXFS-UHFFFAOYSA-N 277.389 3.633 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@@]2(C#N)CC2(C)C)cc1 484912256 QEANPKQPZIGTLP-SCLBCKFNSA-N 284.403 3.551 30 20 CHED C=CC[C@H](C(=O)N1CCCC(F)(F)C1)c1ccccc1 650315945 USURDVPYLQXFJS-AWEZNQCLSA-N 279.330 3.604 30 20 CHED C=CC[C@@H](C)NCc1cn(-c2ccc(C)cc2)nc1C 655738975 SBJIRVHWPPVVOG-CQSZACIVSA-N 269.392 3.543 30 20 CHED Cc1ccc(NN=Cc2ccc(-c3ccccc3)cc2)nn1 729935821 RMQPVOBDMKUDCI-UHFFFAOYSA-N 288.354 3.898 30 20 CHED C=C[C@@H](C)N[C@@H](C)Cc1ccccc1C(F)(F)F 481664138 XWVGALHBTHPGNT-MNOVXSKESA-N 257.299 3.801 30 20 CHED C=CCC1(NCc2coc(-c3ccccc3)n2)CCOCC1 657632947 DLURBQSQGOCFHW-UHFFFAOYSA-N 298.386 3.557 30 20 CHED C=CCC(C)(C)c1nc([C@@H]2CCOC(C)(C)C2)no1 651438564 GDPWWNKLQHAGSL-LLVKDONJSA-N 264.369 3.596 30 20 CHED N#Cc1ccc(SCC[C@@H]2CC2(Cl)Cl)nc1 818075060 HUTPPCFFGHIAMV-SECBINFHSA-N 273.188 3.629 30 20 CHED CC(=NNc1ncnc2sccc12)c1cccs1 725818751 WCWQTVMTNJRDJZ-UHFFFAOYSA-N 274.374 3.589 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1sccc1C1CC1 729246207 QXUYKMPGGOSRNU-UHFFFAOYSA-N 299.351 3.725 30 20 CHED Fc1ccc(NN=Cc2cc(F)c(F)c(F)c2)c(F)c1 727968825 KAWGUWLXYQZFAM-UHFFFAOYSA-N 286.203 3.828 30 20 CHED N#CCCC1CCN(Cc2cc3ccccc3o2)CC1 570678974 KLDNIXPTOHVVFA-UHFFFAOYSA-N 268.360 3.949 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCCCOC(C)C 657969835 FXJRVDFWEBVMTJ-HOTGVXAUSA-N 253.430 3.916 30 20 CHED C#CCCCOC(=O)c1cc2cc(F)ccc2s1 727040835 VAJPPGPENGRIIW-UHFFFAOYSA-N 262.305 3.611 30 20 CHED COc1cccc(NN=C(C)c2cc(C)ccc2O)c1 725853698 YXKWKKGXXARNHK-UHFFFAOYSA-N 270.332 3.545 30 20 CHED C#Cc1cccc(CN[C@H]2CSCCc3ccccc32)c1 825226761 LQRDETPMHJQCAS-IBGZPJMESA-N 293.435 3.788 30 20 CHED Cc1csc(NC(=O)N2CCC[C@H]2C(C)C)c1C#N 574888016 KBNGSYLBLQLZAT-LBPRGKRZSA-N 277.393 3.581 30 20 CHED C=CCCCCN1CCC(CNC(=O)OC(C)(C)C)CC1 828217014 LSLXMUFDOYPZIY-UHFFFAOYSA-N 296.455 3.579 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1F 821009299 ZCKQAFYDDGIHHM-RMKNXTFCSA-N 285.274 3.938 30 20 CHED COc1cccc(C=Nc2cccc3c2ccn3C)c1O 726890415 KWMLXBCCNCQWIZ-UHFFFAOYSA-N 280.327 3.643 30 20 CHED CC(C)C#CC(=O)N[C@H]1CCSc2ccc(Cl)cc21 820046826 LZTZPCQPBFKYSZ-ZDUSSCGKSA-N 293.819 3.653 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 823284538 QDTLKQDPULCCPW-ZIAGYGMSSA-N 270.376 3.680 30 20 CHED C#CCCCOC(=O)C(C)(C)c1ccc(Cl)cc1 727039113 LEZFELSSWHZYHE-UHFFFAOYSA-N 264.752 3.574 30 20 CHED C=CCOc1ccccc1C(=O)NC[C@@H](C)c1ccccc1 497619541 UFRAMGYXMNINIH-OAHLLOKOSA-N 295.382 3.785 30 20 CHED C[C@H](c1ccccc1F)N(C)C(=O)CCCCCC#N 588277953 GBNPFYPSTNBEJA-CYBMUJFWSA-N 276.355 3.819 30 20 CHED CC1(C)CC(=NNc2nc3ccccc3[nH]2)c2ccoc2C1 731485926 IKVPTYNEOAOYCB-UHFFFAOYSA-N 294.358 3.945 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCc1cccc(F)c1F 732713821 LPGUSSPSAKRPRP-DJKKODMXSA-N 295.716 3.985 30 20 CHED CCn1cncc1/C=C1\C(=O)c2cccc3c2[C@H]1CCC3 901488827 INUCIBBWFXUNCX-CIKBWMHTSA-N 278.355 3.603 30 20 CHED CCn1cncc1/C=C\C(=O)c1cc(C)c(F)c(C)c1 901479665 HUXCWVJERIYNRW-WAYWQWQTSA-N 272.323 3.555 30 20 CHED C#CCOc1ccc(NC(=O)Nc2ccc(CC)cc2)cc1 733634206 OCUDQEYDHYZJLM-UHFFFAOYSA-N 294.354 3.905 30 20 CHED C=CCCC1(C(=O)N2CCCc3c(F)cccc32)CC1 582461655 NRZXWUQMTBHRQA-UHFFFAOYSA-N 273.351 3.851 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)cn1 732714454 SVENRIAIEWTRFW-UTCJRWHESA-N 297.333 3.981 30 20 CHED C[C@H]1C[C@H](C=NOC2CCC2)CCN1C(=O)OC(C)(C)C 496521199 ULFVGSILFWXPQG-QWHCGFSZSA-N 296.411 3.577 30 20 CHED Cc1cc(C(=O)/C=C/c2cncn2C(C)C)cs1 901514365 GFUQTLTWGLXGQD-SNAWJCMRSA-N 260.362 3.730 30 20 CHED COc1cccc(/C=C2/Cc3ccccc3C2=O)c1F 588619066 JLRIXJUGORAENQ-RAXLEYEMSA-N 268.287 3.657 30 20 CHED C=CC[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 661381316 ZZZRHNXWWJVKPC-QGZVFWFLSA-N 295.430 3.720 30 20 CHED C=CCC1(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCOCC1 668552146 FSFUTRIDOOTBGK-FICVDOATSA-N 251.414 3.526 30 20 CHED C[C@H](/N=C/c1cccc(O)c1O)c1nc2ccccc2s1 734095837 HMSHTZHZPMUSFR-VJCPFXPRSA-N 298.367 3.888 30 20 CHED N#CCOc1ccc(CN[C@@H](C2CCCC2)C2CC2)cc1 834640567 OTOOUPJARNFUFY-SFHVURJKSA-N 284.403 3.647 30 20 CHED CCN(Cc1cccs1)C(=O)CCCCCC#N 588255752 VIGXVFRHJIWTMC-UHFFFAOYSA-N 264.394 3.571 30 20 CHED COc1ccc([C@@H](CC(C)C)NCC2(C#N)CC2)cc1 903106041 LOBFPRQGVKYMKV-MRXNPFEDSA-N 272.392 3.676 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)CC3CCCC3)[nH]c12 735791428 YMWQYCRLLFCYON-CYBMUJFWSA-N 281.359 3.628 30 20 CHED CC(C)c1ccc(C(C)(C)NC(=O)C#CC2CC2)cc1 837397656 KAXSCKNVBYNVEC-UHFFFAOYSA-N 269.388 3.575 30 20 CHED C[C@@H]1CC(=NNc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)O1 834977200 RHJXYHSKEDKHLP-RKDXNWHRSA-N 297.280 3.542 30 20 CHED CCCCCCC(=O)N[C@@](C)(C#N)C1CCCCC1 734240572 PQCQSCLRYOZQBJ-INIZCTEOSA-N 264.413 3.936 30 20 CHED CC(C)(C)C#CC(=O)Nc1nnc(C2CCCCC2)s1 837357498 FNYFVOVFCFEFDF-UHFFFAOYSA-N 291.420 3.574 30 20 CHED C#CCCCCCC=NNc1ccccc1[N+](=O)[O-] 834915124 GTOGUXNVVQFDCT-UHFFFAOYSA-N 259.309 3.576 30 20 CHED CCCN(C(=O)c1cccc(C#N)n1)c1ccc(CC)cc1 836852006 ROEXZEWIAQVBMD-UHFFFAOYSA-N 293.370 3.572 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 835280329 WYYPWLHOSDBCPR-UHFFFAOYSA-N 283.711 3.504 30 20 CHED C=C[C@@H](CC(=O)Oc1cccc(C(=O)O)c1)c1ccccc1 833371932 XAWKLQNPFOWNHN-ZDUSSCGKSA-N 296.322 3.650 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839060300 ZRPMPSUYGSBQGQ-MXWKQRLJSA-N 277.286 3.591 30 20 CHED CC1(C)Cc2cccc(C=NOCc3ccccc3)c2O1 737429371 SXCADGLIGKMBNK-UHFFFAOYSA-N 281.355 3.951 30 20 CHED c1ccc([C@H]2CCCCC2=NNc2ncccn2)cc1 912973941 CIJIUQDFQOUJJO-CQSZACIVSA-N 266.348 3.602 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 834902758 LAKAQDWDTLSEOT-GOSISDBHSA-N 277.367 3.671 30 20 CHED CC(C)CCCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1 838785853 BUNJKXCCSACBAV-HNNXBMFYSA-N 286.375 3.550 30 20 CHED C=CCN(C(=O)[C@H]1CCCc2ccccc21)C(C)C 915155436 QBGSKFKAMFVIPM-INIZCTEOSA-N 257.377 3.530 30 20 CHED C=CCC[C@H](NC(=O)N1CC=CCC1)c1ccccc1 679303681 WPXZNNMVDNFNIN-INIZCTEOSA-N 270.376 3.665 30 20 CHED CC[C@H](C#N)C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 593739229 XCWNRQKNOGJKHS-OIISXLGYSA-N 284.403 3.626 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(SC)o2)cc1 742859913 CYDRVCGGCRQFNB-UHFFFAOYSA-N 290.340 3.786 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C[C@@H]2CC=CCC2)o1 746497971 OBLODRYVMYFIMF-LLVKDONJSA-N 272.352 3.598 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc2cc(C)ccc2s1 594091627 NZPJMHXAHCHYQH-LBPRGKRZSA-N 272.373 3.584 30 20 CHED C[C@H](OC(=O)C#CC(C)(C)C)c1nccn1-c1ccccc1 838372890 YXFLABFKXUHTMK-AWEZNQCLSA-N 296.370 3.526 30 20 CHED N#CC[C@H]1CCCN(Cc2cnc(-c3ccco3)s2)C1 597177046 MGLRGTYNKSJINJ-GFCCVEGCSA-N 287.388 3.529 30 20 CHED C=C[C@@](C)(CC)COC(=O)[C@@H]1CC12CCSCC2 835337954 YALLLHZMWAMWIS-JSGCOSHPSA-N 268.422 3.665 30 20 CHED CC[C@@H](C)CCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 595725700 HQOJECSBOWATBI-KGLIPLIRSA-N 287.407 3.697 30 20 CHED Cc1cc(CNC[C@@H](C#N)CCC#N)c2[nH]c(C)c(C)c2c1 591728594 WWBLXGNNVAWXCB-OAHLLOKOSA-N 294.402 3.626 30 20 CHED Cc1ccccc1Cn1cc(CC2(C#N)CCCCC2)nn1 594645538 REXUNHSUXXZJBI-UHFFFAOYSA-N 294.402 3.651 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc(OCC)n1)c1ccccc1 677559924 KFTQMEPVTBLKAY-AWEZNQCLSA-N 296.370 3.779 30 20 CHED CC(=NNc1ccc(C)cc1)c1cc(C)ccc1O 916250413 CBAUACDYHXQYAT-UHFFFAOYSA-N 254.333 3.845 30 20 CHED CC(C)CCCNC1CCN(Cc2cccc(C#N)c2)CC1 593692598 GRZWYBBMGDSIEY-UHFFFAOYSA-N 299.462 3.548 30 20 CHED Cc1ccc2oc(SCC3(C#N)CCCC3)nc2n1 917456366 AMNJBUMNHKONJV-UHFFFAOYSA-N 273.361 3.707 30 20 CHED Cc1cc(C#N)ccc1N1CCC(OCCC(C)C)CC1 846747205 CPUCAHLCHCIVHG-UHFFFAOYSA-N 286.419 3.898 30 20 CHED CCCCCCCN1C(=O)NC2(CCCCCC2)C1=O 915659201 UTGHTZAHCOQNMW-UHFFFAOYSA-N 280.412 3.602 30 20 CHED Cc1c(C(=O)N(C2CC2)[C@@H](C)C#N)oc2c(C)cccc12 598129900 MLNLUQRLYYTPIA-NSHDSACASA-N 282.343 3.566 30 20 CHED CCc1csc(CC2CCN(CCCCC#N)CC2)n1 594020499 YYOOFGLIYNLENI-UHFFFAOYSA-N 291.464 3.654 30 20 CHED CCCNN=C(CC)c1cc(Cl)cc(Cl)c1O 915965908 RONGRAOXNFZIEG-UHFFFAOYSA-N 275.179 3.813 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@H](C)c1ccco1 599346010 GSLCVPRIOTXTNS-AWEZNQCLSA-N 290.407 3.952 30 20 CHED COc1cc(C(=O)OCc2ccc(C#N)cc2C)ccc1C 748923207 YJUKQGUYBTZESI-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CCCCc1ccc(C(=O)/C=C\c2cnnn2CC)cc1 841487365 MJAVVLQINDVAAO-QXMHVHEDSA-N 283.375 3.537 30 20 CHED CC(CCN(C)C)=NNc1ccnc2cc(Cl)ccc12 915935013 QBOQKHMBUKZENG-UHFFFAOYSA-N 290.798 3.628 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)Nc1ccc(C)c(C)c1 748227852 VSHJVFCDWUBJNT-CQSZACIVSA-N 289.375 3.530 30 20 CHED N#Cc1ccc(CNCCC[C@@H]2CC2(Cl)Cl)cc1 846102027 JZQFRPUSHLXILF-CYBMUJFWSA-N 283.202 3.622 30 20 CHED CC#CCOC(=O)COc1ccc2oc3ccccc3c2c1 744459740 BEXZCACOCCBUGU-UHFFFAOYSA-N 294.306 3.531 30 20 CHED CC(C)c1ccoc1C(=O)Oc1cccc(OCC#N)c1 841343701 HNTNOIRXSLKROM-UHFFFAOYSA-N 285.299 3.525 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2cccn2C)cc1 917552633 UFSZERAAEMDORQ-AWEZNQCLSA-N 269.392 3.833 30 20 CHED N#CCCCCC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 593987029 DDEBAFSXRVOFPG-NWDGAFQWSA-N 290.329 3.555 30 20 CHED N#CC1(CCOC(=O)c2ccc(C=O)cc2)CCCCC1 840197920 YGYSJYHNSXPQHN-UHFFFAOYSA-N 285.343 3.520 30 20 CHED N#Cc1ccc(-c2ccc(OC(=O)CC3CC3)cc2)cc1 914710129 OLTZHMVSLMGQJN-UHFFFAOYSA-N 277.323 3.931 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(CC)[C@@H](C)C#N 598360844 WKFUATUYUDAYRT-DZGCQCFKSA-N 264.413 3.744 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1ncccn1 841632082 BAWXGBKCRIEZSU-UHFFFAOYSA-N 268.364 3.610 30 20 CHED CC(C)C[C@H](C(=O)N[C@H](C)CC#N)c1ccc(Cl)cc1 596998780 QQEJPTJHWROBDS-DOMZBBRYSA-N 292.810 3.888 30 20 CHED CCC[C@H](CCc1ccccc1)Nc1c(C#N)cnn1C 596146851 RCPZGPZZYWGPAS-MRXNPFEDSA-N 282.391 3.505 30 20 CHED Cc1cc(C#N)ccc1NC[C@]1(C)OCCc2sccc21 846754487 LRWOFGGKHWUTNK-KRWDZBQOSA-N 298.411 3.828 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 743083749 BTJYCMXNHAFDPW-ZMSDIMECSA-N 282.387 3.758 30 20 CHED COC1([C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)CCC1 591197221 QJTXGLKJQJMTOE-LBPRGKRZSA-N 287.407 3.620 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(OC)c(C)c1 742375567 FMODIFVGGDHLRI-UHFFFAOYSA-N 299.345 3.767 30 20 CHED CC(=NOCc1cccnc1)c1ccccc1OC(F)F 746587304 AQEHOZOPGJZGSM-UHFFFAOYSA-N 292.285 3.624 30 20 CHED C=CCC1(c2nc(-c3ccccc3COC)no2)CCC1 685255898 UWXRSGXTIUYWKV-UHFFFAOYSA-N 284.359 3.881 30 20 CHED C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)c1ccc(F)cc1 748002757 OEYSSOIRNAJLOV-NSHDSACASA-N 298.317 3.535 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc(Cl)c(F)c2)c1 921258341 RBBRUFPNVUNGOD-UHFFFAOYSA-N 298.695 3.881 30 20 CHED C=CCCCCNC(=O)N[C@@H](CCC)c1ccccn1 681160635 OHXLAUJJYSHGOD-HNNXBMFYSA-N 275.396 3.578 30 20 CHED Cc1cc(NN=Cc2ccc[nH]2)ccc1Br 920478770 FPJCVLGDAFDZDU-UHFFFAOYSA-N 278.153 3.532 30 20 CHED C/C(=C\C(=O)N1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 928220764 LDTYLTKGWYLWJT-RPHSKFLZSA-N 288.778 3.505 30 20 CHED Cc1ccc2c(C)cc(NN=Cc3[nH]cnc3C)nc2c1C 755592599 JHEMYXHHCKKLJP-UHFFFAOYSA-N 293.374 3.638 30 20 CHED C=CCCN(C)C(=O)c1ccc(C2CCCC2)cc1 685831153 HBZAKRNRSDZACD-UHFFFAOYSA-N 257.377 3.992 30 20 CHED CC(C)(C#N)COC(=O)[C@H]1CC[C@H](C2CCC2)CC1 850935202 FELUJGQCUQBTCR-HDJSIYSDSA-N 263.381 3.686 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@H]1c1cccc(C)c1C 753250115 ZIFBNHRVYCJWOR-RDJZCZTQSA-N 284.403 3.562 30 20 CHED C#CC[C@@H](OC(=O)c1cc(Cl)ccc1C)c1ccccn1 753553741 QGIAMKVSXVJENR-MRXNPFEDSA-N 299.757 3.965 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc(Cl)s1 755816265 DIUHZXCHIZYFQG-NSHDSACASA-N 259.758 3.669 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@H]2C[C@H]2C1 852344755 XACBCSIGEONBLI-GJZGRUSLSA-N 264.413 3.564 30 20 CHED CC(C)=CCCC(C)=NNc1ncccc1[N+](=O)[O-] 759206804 QLDCJBZUCIZYRG-UHFFFAOYSA-N 262.313 3.524 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NOCc1ccccc1 755630870 ARMRZYWEKUVCFQ-UHFFFAOYSA-N 291.354 3.731 30 20 CHED C=CC[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1ccncc1 759219468 YFGCQUIJXYDKKW-YCPHGPKFSA-N 272.392 3.641 30 20 CHED C/C(=C/C(=O)N1CCC[C@H](C#N)C1)c1ccccc1Cl 928225037 WLJNEHFDSBBDBL-KIWPFMIBSA-N 288.778 3.505 30 20 CHED C=CCC1(NC(=O)CCCSC(C)(C)C)CCOCC1 855686716 SAMOSLVOLCNTLE-UHFFFAOYSA-N 299.480 3.540 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NO[C@@H]1CCCCO1 755814154 LABOWYWBAGQDES-GFCCVEGCSA-N 291.244 3.722 30 20 CHED C=CC(C)(C)C(=O)OC[C@@H]1C[C@H]1c1ccc(OC)cc1 851267534 YKZNCWYNOSHIBF-ZFWWWQNUSA-N 274.360 3.554 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)c1ccc(CC)cc1)OCC 755480521 GOJSVQBLBQNCHO-QGZVFWFLSA-N 289.419 3.973 30 20 CHED C#CCCCOc1cccnc1NCC1(SCC)CC1 853904162 SCKBRVKEBWRCQI-UHFFFAOYSA-N 290.432 3.571 30 20 CHED C=CCC[C@H](OC(=O)CCc1cccnc1Cl)C1CC1 850905689 FYOKNHCGSROASX-AWEZNQCLSA-N 293.794 3.956 30 20 CHED Fc1ccc(C=NO[C@@H]2CCCCO2)c(C(F)(F)F)c1 755813098 CSDPQOAWSZXCMI-GFCCVEGCSA-N 291.244 3.722 30 20 CHED CC(C)c1ncc(/C=C\C(=O)c2cc(O)ccc2O)s1 758434126 MQGRCTFMPSZSLG-XQRVVYSFSA-N 289.356 3.574 30 20 CHED C[C@H]1CC(=NOc2ccccc2C(F)(F)F)CCN1C 754709999 PVNFLXLVHAEKEC-JTQLQIEISA-N 286.297 3.554 30 20 CHED C=C(Cl)CSCC(=O)N1CCC[C@H]2CCCC[C@@H]21 853783571 MCOAKPIZLOVKCX-OLZOCXBDSA-N 287.856 3.653 30 20 CHED C#CCCCCC(=O)Nc1cccc(F)c1SC 855250395 XJOPVFBXDYWPNC-UHFFFAOYSA-N 265.353 3.680 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1ccc(C)c(C)c1 759008636 UAJIUBXANOTLLK-UHFFFAOYSA-N 286.371 3.798 30 20 CHED CN(CCC#N)c1ccc(CN2CC[C@@H](C(C)(C)C)C2)cc1 753592655 ZGECUHBUZNIMIJ-QGZVFWFLSA-N 299.462 3.904 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1ccc(O)c(F)c1 750923237 VRWQSKANVOZDBV-UHFFFAOYSA-N 288.322 3.766 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)c1ccc2ccccc2c1 753310511 UKVZWAIMOSODCU-GFCCVEGCSA-N 273.763 3.812 30 20 CHED CC(C)c1cnc(CNc2cccc(OCC#N)c2)s1 753568883 CHGIFPJNZUYNCE-UHFFFAOYSA-N 287.388 3.781 30 20 CHED CC1(C)CN(CCCCC2(C#N)CCC2)[C@H]1[C@@H]1CCCO1 930508045 MAMKTRHKGLAKQP-HOTGVXAUSA-N 290.451 3.740 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(C#N)s2)c1 762447391 BVPBPDOEXUXSAQ-UHFFFAOYSA-N 289.335 3.604 30 20 CHED C#CCCN1CCc2ccccc2[C@@H]1c1ccccc1 760835175 XETPJOBSCFBLLQ-IBGZPJMESA-N 261.368 3.657 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2cc(F)ccc2[C@H]1C 933268938 CIBVOZJBAIXJLF-CHWSQXEVSA-N 275.367 3.874 30 20 CHED CCCCCCCSCc1ccn(C)c(=O)c1 764640268 UYIJLAVSUDPHKR-UHFFFAOYSA-N 253.411 3.589 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 933001842 CCDXPECDRGDAQL-KMFMINBZSA-N 282.387 3.660 30 20 CHED CCC(C=NNc1ccnc(Br)c1)CC 769815653 SIKNRYOEVQZGGI-UHFFFAOYSA-N 270.174 3.678 30 20 CHED CC#CCCOC(=O)[C@@H](C)c1ccccc1C(F)(F)F 760289491 JFWANFHNTAAVDL-NSHDSACASA-N 284.277 3.766 30 20 CHED C=CCCC(CC)=NNc1ccc(F)cc1OC 761885747 ZBQILDWBIZMXLL-UHFFFAOYSA-N 250.317 3.978 30 20 CHED C#CCOc1ccccc1-c1noc(CCC(C)(C)C)n1 761995912 IGPDXFNPVSBWKW-UHFFFAOYSA-N 284.359 3.727 30 20 CHED N#Cc1ccc(OCCn2nc(Cl)c3ccccc32)cc1 769928245 KLURXJSLPOZTCR-UHFFFAOYSA-N 297.745 3.640 30 20 CHED CO[C@H](C)C(C)=NNc1ccc(Cl)cc1Cl 763139153 MGUCUXMVONWWDR-MRVPVSSYSA-N 261.152 3.816 30 20 CHED CC(=NNCc1ccccc1Cl)c1occc1C 767774768 AVMUULTVXDRGOU-UHFFFAOYSA-N 262.740 3.755 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)OC1CCCCC1 866408968 GJFDOCQDDSMUCV-UHFFFAOYSA-N 289.331 3.805 30 20 CHED CCC[C@H](C)c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1 761850654 USJOGXDXNNIQQD-NWDGAFQWSA-N 285.347 3.985 30 20 CHED CCCCCCCCCSCc1ncnn1C 1116761439 CLCJXKDBRAUTLW-UHFFFAOYSA-N 255.431 3.799 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1nnc(-c2ccccc2)n1C 766010880 PATFJIHBWSOHLI-LBPRGKRZSA-N 297.406 3.706 30 20 CHED C[C@H]1CC[C@H](OC(=O)c2ccc(Cl)c(C#N)c2)C1 767526679 OUPZWBVFPUGYCX-CABZTGNLSA-N 263.724 3.557 30 20 CHED COc1cc(F)ccc1NN=Cc1cc(F)cc(F)c1 761885115 QFSCKZGLFACDKL-UHFFFAOYSA-N 280.249 3.559 30 20 CHED Fc1ccc(CNN=C2CCC[C@H]2c2ccccn2)cc1 1117102798 LIMLPIKVZWEVRQ-HNNXBMFYSA-N 283.350 3.634 30 20 CHED Cc1cccc(CC(=O)O[C@@H](C#N)C2CCCCC2)c1 776381990 PQIZXRUZFFANHY-INIZCTEOSA-N 271.360 3.553 30 20 CHED CC(C)C[C@H](C)OCCC(=O)O[C@@H](C#N)C1CCCCC1 776392978 XHUXXQUJIUVNJU-HOCLYGCPSA-N 295.423 3.843 30 20 CHED Cc1ccnc(NN=C2C[C@H](C)c3c(C)ccc(O)c32)c1 1116249175 XIARKHNYYNHYQL-LBPRGKRZSA-N 281.359 3.727 30 20 CHED CN1CCCC(=NNc2ccc(C(C)(C)C)cc2)CC1 779825266 RCXQXDJWIOLJFJ-UHFFFAOYSA-N 273.424 3.868 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc2c(c1)COC2 773029067 BBCPEHDPIAMGTE-GFCCVEGCSA-N 296.345 3.578 30 20 CHED CC(C)c1nc(/C=C/C(=O)c2ccncc2)c2ccccn12 776188289 MIIWTUUNAJGABR-VOTSOKGWSA-N 291.354 3.749 30 20 CHED C=CCn1cnnc1SCc1cc(C)nc2ccccc12 1116084709 UAUVKLAAPDKNGL-UHFFFAOYSA-N 296.399 3.613 30 20 CHED C=C(C)CCOC(=O)[C@H](C)c1cn(C)c2ccccc12 774116338 WBYJZNUVWDNXIU-CYBMUJFWSA-N 271.360 3.791 30 20 CHED Cc1ccc2c(c1)CCC2=NOCCC(F)(F)F 777459566 JJSNNDIFPOSPJA-UHFFFAOYSA-N 257.255 3.614 30 20 CHED CS[C@H](C)CCC(=O)O[C@@H](C)c1ccc(C#N)cc1 773789992 ZHAQQPMMDIPWQJ-NEPJUHHUSA-N 277.389 3.694 30 20 CHED CC(C)(C#N)CCOC(=O)C(C)(C)C1CCCC1 776399516 XSMJNHVHLDILGD-UHFFFAOYSA-N 251.370 3.686 30 20 CHED C=CCCC[C@H](C)NC(=O)/C=C\c1ccccc1F 775926138 REOOOWKNNRMQCI-HHQWOOOKSA-N 261.340 3.700 30 20 CHED Cc1[nH]c2ccccc2c1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774596048 HZVXFUPQWDQGTP-DCGLDWPTSA-N 267.376 3.588 30 20 CHED C#CCCCCN[C@@H](c1ccc2nc(O)oc2c1)C(C)C 774460307 OAJBBTUYWHVPQR-MRXNPFEDSA-N 286.375 3.624 30 20 CHED CC(C)c1nccnc1NN=Cc1c[nH]c2ccccc12 773091683 VMAQIWRTPIUDSI-UHFFFAOYSA-N 279.347 3.527 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccccc2CC#N)C1 776894718 ZNSHRFYLMRVLMI-AEFFLSMTSA-N 298.430 3.626 30 20 CHED O=c1ccccn1N=Cc1ccc(-c2ccc(F)cc2)s1 776791218 HDESWVISTXAQAG-UHFFFAOYSA-N 298.342 3.598 30 20 CHED CC(C)(C#N)CCOC(=O)C1CCC(C)(C)CC1 776396115 QXSTYVWDHPNXKJ-UHFFFAOYSA-N 251.370 3.686 30 20 CHED C=CCCCCNS(=O)(=O)/C=C/c1ccccc1Cl 770277305 VZGHSKGGLJIKIH-ZRDIBKRKSA-N 299.823 3.586 30 20 CHED C=C(C)CCC(=O)N[C@H](CC)c1ccccc1OC 1120760017 LECYMFVPAAQIGV-CQSZACIVSA-N 261.365 3.619 30 20 CHED C=CCN(C(=O)c1nc(C2CC2)cs1)c1ccccc1 1123881632 YFQKVYGJGZJVDB-UHFFFAOYSA-N 284.384 3.853 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCn2cccc21 776786546 YHGMNAKEPNHKOA-UHFFFAOYSA-N 276.343 3.565 30 20 CHED C=CCC[C@H](C(=O)NCc1cccc(F)n1)c1ccccc1 777747978 POEHZRIBWJFDJC-INIZCTEOSA-N 298.361 3.587 30 20 CHED C=CCSc1ccccc1C(=O)N1CCSC[C@@H]1C 776847368 UNCDBLVNQSNVMB-LBPRGKRZSA-N 293.457 3.542 30 20 CHED C=C(CC)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl 773429580 NPAANQUSUWWWFS-UHFFFAOYSA-N 268.744 3.646 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccc(CC)cc1 782440610 USVVPAXJOFNORO-KRWDZBQOSA-N 276.376 3.521 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(C2CC2)nc2ccccc12 781147511 ULYOHCZZQZBZBP-GFCCVEGCSA-N 280.327 3.571 30 20 CHED C/C=C(/CC)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 789665153 AHCPQIAMSBJJIE-MLPAPPSSSA-N 276.424 3.958 30 20 CHED C#CCCCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 788592145 LMTVVOPUMYEAGR-INIZCTEOSA-N 286.375 3.710 30 20 CHED C#CCN(C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 788036367 HHBAQKFVUISJHI-UHFFFAOYSA-N 298.317 3.715 30 20 CHED Cc1ccc(O)c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 787034708 TXVYWXWONRFVDK-UGSOOPFHSA-N 292.382 3.910 30 20 CHED C#CCCCCCC(=O)N(Cc1cccc(O)c1)CC1CC1 780513286 ZDXGGZMSNXKOMJ-UHFFFAOYSA-N 299.414 3.715 30 20 CHED CCN(CCC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 77266490 GYJRLJHTXKWLRX-LLVKDONJSA-N 270.298 3.894 30 20 CHED Cn1c(C(=O)OCC(C)(C)C#N)c(Cl)c2ccccc21 781467643 HTTRTGNNRMYXOU-UHFFFAOYSA-N 290.750 3.538 30 20 CHED COc1cccc(NN=Cc2ccc3cnccc3c2)c1 782180450 XHIQDSQCGLVGKT-UHFFFAOYSA-N 277.327 3.689 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)CCc2c(F)cccc21 899390092 SFEMUAYCAQBKCK-LCYFTJDESA-N 296.345 3.960 30 20 CHED Cc1oc2ccccc2c1C=NNc1ccnc(F)c1 781124313 DIMYCVYWCOENOB-UHFFFAOYSA-N 269.279 3.721 30 20 CHED C#Cc1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1 891313263 LDFHBNLYGQHJTB-UHFFFAOYSA-N 290.366 3.513 30 20 CHED CCCCSCC(=O)Oc1ccc(C#N)cc1CC 799443001 IHMBEODFCIFPDS-UHFFFAOYSA-N 277.389 3.559 30 20 CHED CC(C)(C#N)CCCCN1CCc2ccc(F)cc2C1 277580384 CFFKCAKOQVBGOA-UHFFFAOYSA-N 274.383 3.904 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)CCCC)c1ccncc1 799938545 XJJSOHADTCQDSR-ZFWWWQNUSA-N 260.381 3.641 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2cccc(Cl)c2)[C@@H]1C 794454588 JHZADAVRMMIEPJ-MNOVXSKESA-N 294.782 3.717 30 20 CHED C/C=C(/C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572192 UVVGQAQMOCPUDU-MBACFSSFSA-N 262.378 3.583 30 20 CHED N#Cc1cc(Sc2nc(-c3ccccc3)cs2)ncn1 555798381 WWGMPOIGECUNCF-UHFFFAOYSA-N 296.380 3.623 30 20 CHED CC[C@H]1C[C@@H](C)CN1c1nc(C(F)(F)F)ccc1C#N 75065991 RFAFSBDZBQDOQJ-KOLCDFICSA-N 283.297 3.597 30 20 CHED CCCCC[C@H](C)NC(=O)c1ccc(C)c(C#N)c1 799293010 DPQSKJNTILJDRV-ZDUSSCGKSA-N 258.365 3.565 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(C(=O)NC)cc1 793523440 IFEVTWSZHJYUBZ-HNNXBMFYSA-N 288.435 3.661 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2ccc(Cl)cc2)[C@@H]1C 794445937 UPWVOTNCWWLTBW-GHMZBOCLSA-N 294.782 3.717 30 20 CHED CSc1cccc(COC(=O)c2cccc(CC#N)c2)c1 797034528 LRZCVTVEZKQWTE-UHFFFAOYSA-N 297.379 3.832 30 20 CHED C#CCCCC(=O)Nc1ccc(Br)c(C)c1F 790138141 MQWFNACVPPSKEC-UHFFFAOYSA-N 298.155 3.639 30 20 CHED N#Cc1ccc(C(=O)OCCCc2ccccc2Cl)o1 796151820 RRPWBICDZNUBRD-UHFFFAOYSA-N 289.718 3.594 30 20 CHED CSCCON=C(C)c1ccc(OC(C)(C)C)cc1 794573757 JAEOGSPVTNQOPY-UHFFFAOYSA-N 281.421 3.968 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1C 794925683 CPMMIHUIHKJKQP-BQYQJAHWSA-N 268.360 3.977 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1Cc1ccccc1C 791072504 CCFNDMOWMQNBDX-ZWKOTPCHSA-N 298.430 3.513 30 20 CHED CC(C)(C(=O)N1CCC[C@@](C)(C#N)C1)C1CCCCC1 753160024 FEWJBNYGZRDHJH-KRWDZBQOSA-N 276.424 3.745 30 20 CHED CC(C)(CC1CCCCCC1)Nc1cncc(C#N)n1 1307096815 PLNUSJVOALHWFQ-UHFFFAOYSA-N 272.396 3.899 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1ccc(C#N)cc1 1317903856 RNHMZPXKBKUKCH-LBPRGKRZSA-N 291.354 3.896 30 20 CHED N#Cc1cc(NC(=O)NCC2CCCCC2)c(F)cc1F 1311136570 STPPDBPSTITNOR-UHFFFAOYSA-N 293.317 3.538 30 20 CHED CC(C)CN(CCC#N)Cc1nc2c(s1)C[C@@H](C)CC2 1323269873 PYWMFXVAWYECSS-ZDUSSCGKSA-N 291.464 3.640 30 20 CHED C#CCC1(C(=O)NCc2cc(C)cs2)CCCCC1 1324819005 GDFSQODGCICRKL-UHFFFAOYSA-N 275.417 3.647 30 20 CHED COc1cc(Cl)ccc1NC(=O)CC#Cc1ccccc1 1325822889 WUTXTUYHRQYJFN-UHFFFAOYSA-N 299.757 3.729 30 20 CHED CC(C)c1cc(C(=O)N(C)[C@@H](C)CC#N)c2ccccc2n1 1337809529 UVOYYVLYTJHLKA-ZDUSSCGKSA-N 295.386 3.732 30 20 CHED CCCCCCCC(=O)NCCCc1ccco1 1330971074 ORQLRYLGWILUEA-UHFFFAOYSA-N 251.370 3.689 30 20 CHED Cn1c(Cl)cnc1[C@@H](C#N)C(=O)CC1(C)CCCCC1 1344322171 JGYBWQKCKPBWQF-NSHDSACASA-N 293.798 3.610 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cn(C)nc1C(C)C 1346488587 GXIZRCSSEDTPOV-ZDUSSCGKSA-N 290.411 3.506 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@H](C)c1cccc(NC(C)=O)c1 1357266052 VMCPFCYGOAFLBE-OCCSQVGLSA-N 289.375 3.852 30 20 CHED Cc1ccc(NC(=O)c2csc(C#N)c2)c(Cl)c1 1350948655 CTMOBFAXTPFLEK-UHFFFAOYSA-N 276.748 3.834 30 20 CHED COc1cccc(/C=C2\CCc3cc(OC)ccc3C2=O)c1 214503 MXBIECKUJRNWNF-XNTDXEJSSA-N 294.350 3.916 30 20 CHED biogenic C[C@H]1Cc2ccccc2N(Cc2cccc(C#N)c2)C1 109586513 CELWVXOFGAGOHU-AWEZNQCLSA-N 262.356 3.757 30 20 CHED N#CCc1ccc(COC(=O)C23CCC(CC2)CC3)cc1 1520640521 MEYLYRSGBPLKGO-UHFFFAOYSA-N 283.371 3.766 30 20 CHED CCC(C)(C)CNc1ncc(C#N)cc1Br 1458326798 MNDUYJXKMLRRGH-UHFFFAOYSA-N 282.185 3.564 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(C(C)C)c(C(=O)O)s1 1602807574 QKMIJERPKBXWCO-UHFFFAOYSA-N 296.392 3.506 30 20 CHED CC[C@H](CC(C)C)C(=O)O[C@@H](CC#N)c1ccco1 1520425539 WNLZQCSRRUVCCX-OCCSQVGLSA-N 263.337 3.850 30 20 CHED C=CCC1(NCc2ccccc2CC(=O)O)CCCCC1 1602851567 QECCLAWMGHAZCS-UHFFFAOYSA-N 287.403 3.682 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H]1CCc2cc(F)ccc21 1532267506 VVGCAIOWMSKXDG-AWEZNQCLSA-N 275.323 3.686 30 20 CHED CCc1nc(C#N)cc(N2CCC(C)(C)CC(C)(C)C2)n1 1612594406 BHVJYISDDCSNSF-UHFFFAOYSA-N 286.423 3.563 30 20 CHED Cc1ccc(CNc2cc(C)c(C#N)cn2)c(OC(C)C)c1 1612102237 MYDSLPVDLQJUKF-UHFFFAOYSA-N 295.386 3.969 30 20 CHED CC[C@@H](CC(=O)Nc1n[nH]c2cc(C#N)c(C)cc12)C(C)C 1632033044 BAHJHPNPSJTDAM-LBPRGKRZSA-N 298.390 3.754 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cc1 53422414 JFLXFJQXMVIUJN-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED CC(C)CC1(NC(=O)c2cccc(SCC#N)c2)CC1 1587890284 ZJAHBLAGJQHUHW-UHFFFAOYSA-N 288.416 3.611 30 20 CHED C=CCN(Cc1csc(C(=O)O)c1)Cc1cccs1 1588831618 DZBIIKZHGDHDJW-UHFFFAOYSA-N 293.413 3.696 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccsc1C#N 1583877342 NAFUPTFYBHIVRE-CHWSQXEVSA-N 290.432 3.956 30 20 CHED C=CC(C)(C)NCc1ccc(-c2ccc(C(=O)O)cc2)o1 1588680923 JHQOOQRODWNEQJ-UHFFFAOYSA-N 285.343 3.699 30 20 CHED C[C@@H]1Oc2ccccc2[C@H]1Nc1nc(C#N)c(Cl)s1 1651118046 HYAMBANPCOHFFP-CPCISQLKSA-N 291.763 3.602 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCc2ccccc2C#N)n1 1656663382 DYUQVDQFAFGHLX-UHFFFAOYSA-N 291.354 3.701 30 20 CHED CC#CCCCC(=O)Oc1cc2ccccc2cc1C(=O)O 1588926971 GRXCMGRNHQVIQR-UHFFFAOYSA-N 296.322 3.637 30 20 CHED CC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)[C@H]1CC1(C)C 1677508071 BNONLSNXAFTLLJ-WQVCFCJDSA-N 299.418 3.743 30 20 CHED COc1ccc(Cl)cc1NCc1ccc(F)c(C#N)c1 123606376 RMVYSEKSRVVPQC-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)n1ccnc1CNc1ccc(Cl)c(C#N)c1 123757794 GGAJNEBHSLPOFD-UHFFFAOYSA-N 274.755 3.601 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H](CC)CCCC)CC1 1776159460 VIDFSWPACYEMHZ-HNNXBMFYSA-N 281.440 3.946 30 20 CHED C=CCC(C)(C)CC(=O)Nc1cc(C)c(C(=O)O)c(F)c1 1776150867 TVJWLOAQVSCPRO-UHFFFAOYSA-N 293.338 3.763 30 20 CHED CC[C@@H](C(=O)Nc1ccc(C#N)c(C#N)c1)c1ccccc1 150794003 RKRBLOXOSOIARL-QGZVFWFLSA-N 289.338 3.562 30 20 CHED Cc1cc(C)c(C(=O)N[C@@H](C#N)c2ccccc2F)c(C)c1 161453564 HFWRUNFABQQXPA-INIZCTEOSA-N 296.345 3.746 30 20 CHED C=CCN(C)C(=O)c1cc(C2CC2)nc2ccc(C)cc12 161550728 VXQAQYVQXHEUCV-UHFFFAOYSA-N 280.371 3.679 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2cccc(OC)c2)c1C 160688627 BXVLLALEYIYKAU-MDZDMXLPSA-N 298.386 3.815 30 20 CHED N#CCC[C@H](NC(=O)CCC1CCC1)c1ccccc1 153502657 NRYRSIVKEGHEGP-INIZCTEOSA-N 270.376 3.728 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccccc1C#N 154379490 VMXPEJDZTAUQDE-STQMWFEESA-N 282.368 3.670 30 20 CHED C=CCCCCCN(C)c1nnc(C(F)(F)F)s1 154787647 JRXYGNZLSLUOBZ-UHFFFAOYSA-N 279.331 3.740 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)Oc1ccc2c(c1)CCC2 579786565 SYKWIYXNQVUORU-WMLDXEAASA-N 299.414 3.510 30 20 CHED C[C@H]1OCC[C@H]1Sc1c(Br)cccc1C#N 865639313 QWZACCKHYFMOIW-LDYMZIIASA-N 298.205 3.590 30 20 CHED CC(C)(CNc1cccc(F)c1C#N)C1CCOCC1 1164255790 VLMBMZBJDOBHQT-UHFFFAOYSA-N 276.355 3.562 30 20 CHED C[C@H](CNc1nc(C(C)(C)C)ccc1C#N)C1CC1 1185018027 RQDCHUNXNOPROW-LLVKDONJSA-N 257.381 3.709 30 20 CHED N#CC1(NC(=O)c2csc3ccccc23)CCCCC1 49942964 JTGAXLKYBYQLKQ-UHFFFAOYSA-N 284.384 3.858 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)c1ccccc1 51628216 GFYXUSFGBAXRLG-KRWDZBQOSA-N 268.335 3.938 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cccc(NC(C)=O)c1 293785715 TZCPRKKVXABVKS-CYBMUJFWSA-N 274.408 3.898 30 20 CHED C=CCCCCCCN[C@H]1CCOC2(CCC2)C1 310652532 YKVSUZDOCHTGJI-HNNXBMFYSA-N 251.414 3.814 30 20 CHED CCc1cccc(NCc2ccc(OC)c(C#N)c2)c1 87822437 PREWMPFTNLSMMJ-UHFFFAOYSA-N 266.344 3.741 30 20 CHED CCSC1(CNc2nc3ccccc3cc2C#N)CC1 691813570 HDODOXZUVGSUOZ-UHFFFAOYSA-N 283.400 3.804 30 20 CHED C[C@@H](NCc1cnc(Cl)s1)c1ccc(C#N)cc1 718213233 YAYKXDORHWXYEB-SECBINFHSA-N 277.780 3.519 30 20 CHED Cc1nnc(Nc2cccc3ccsc23)c(C#N)c1C 386495587 ZIRQWHIHWFNQQY-UHFFFAOYSA-N 280.356 3.923 30 20 CHED C=CCSCCNCc1cccc(C(F)(F)F)c1 222062056 NOMNNHDQCGUXAN-UHFFFAOYSA-N 275.339 3.714 30 20 CHED C/C(=C\C(=O)O[C@H](C#N)C(C)C)c1cccc(Cl)c1 176034931 ZFFGQRBXMWYWCC-DPQIITEBSA-N 277.751 3.835 30 20 CHED C[C@H](CNCc1cccc(C#N)c1)c1ccc(F)cc1 105452146 XVZBCIKVFQIEFZ-CYBMUJFWSA-N 268.335 3.591 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1F 67427843 GOZJHGDCFJTYFW-RMKNXTFCSA-N 265.287 3.902 30 20 CHED C=CCOc1cccc(NC(=O)/C=C(\C)C2CC2)c1 56337639 FWTPYOIAXUHJOR-ZRDIBKRKSA-N 257.333 3.546 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(C)c(Cl)c2)n1 103329118 WDMPEIRVQJTRGG-LLVKDONJSA-N 290.775 3.903 30 20 CHED C=CCCc1nc(-c2cccc(C(F)(F)F)c2)no1 109488152 VGLDNWLNRUVZMD-UHFFFAOYSA-N 268.238 3.874 30 20 CHED CCCCCCCOC(=O)c1cccc(Cl)n1 111363595 IDMQUITVHOGYKM-UHFFFAOYSA-N 255.745 3.862 30 20 CHED Cc1ccc(CCCCC(=O)[C@H](C#N)c2ccccn2)cc1 64101058 XKAUJEFHCRRQHL-QGZVFWFLSA-N 292.382 3.979 30 20 CHED CCS[C@@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 176983414 SXIIUXWEMVPNFR-HZPDHXFCSA-N 274.433 3.712 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCCCC 119959860 JUUMWFPZMKSBLT-UHFFFAOYSA-N 263.356 3.921 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O 63279317 QULVRHQXTOVFTM-LCYFTJDESA-N 295.294 3.562 30 20 CHED C=CCC(CC=C)C(=O)N(C)CCCc1ccccc1 176958346 ICKSPTAWLYBKIB-UHFFFAOYSA-N 271.404 3.846 30 20 CHED CC1CCN(c2ccc(Nc3cccc(C#N)n3)cc2)CC1 301846168 MPONXTKVXCAAEH-UHFFFAOYSA-N 292.386 3.933 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)[C@H](C#N)c1ccccn1 114617802 CYQYSUCADSVWEJ-DZGCQCFKSA-N 270.376 3.864 30 20 CHED Cc1ccc(C)c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 116804408 FLEDJHPFDDFEOS-GUYCJALGSA-N 270.376 3.506 30 20 CHED N#CCc1cccc(C(=O)Nc2cc(F)cc(Cl)c2)c1 177781779 UNYZUXKJDRRWCO-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C[C@H](S[C@H](C)C(=O)NC(C)(C)C)c1ccc(C#N)cc1 118444654 JWRDUQMHKFMEMS-NWDGAFQWSA-N 290.432 3.656 30 20 CHED Cc1ccsc1C(=O)Nc1ccc(Cl)c(C#N)c1 122076479 QPXKYIXXVSYWRF-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc(CCC)s1 173139553 SMHZTYDFIDXUCB-UHFFFAOYSA-N 280.437 3.914 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2cnn(C(C)C)c2)c1 60212558 NQZOZCDXUADAJV-AATRIKPKSA-N 268.360 3.977 30 20 CHED CCCCN(C)CC1CCN(CCCC(C)(C)C#N)CC1 174860863 ADJSYVAYYGKOCB-UHFFFAOYSA-N 293.499 3.760 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 110361539 JXWXRQDZBSDJLG-OLZOCXBDSA-N 289.341 3.780 30 20 CHED N#Cc1ccc(NCc2c(F)c(F)cc(F)c2F)c(F)c1 301569123 LJPJYWMQZLODTI-UHFFFAOYSA-N 298.214 3.866 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)Nc1nccnc1C#N 301149274 CFXAIUARRUZLAO-ZDUSSCGKSA-N 280.375 3.517 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 176865596 CZVMYXZKAOZKDG-HLLBOEOZSA-N 286.419 3.786 30 20 CHED C[C@@H](Nc1ccc(C#N)nn1)c1cc2ccccc2s1 302007170 UNDSVYCJAMFYNZ-SNVBAGLBSA-N 280.356 3.736 30 20 CHED C=CCOc1cccc(NC(=O)C2(c3ccccc3)CC2)c1 65878672 VMCBKYBZCDPFFE-UHFFFAOYSA-N 293.366 3.922 30 20 CHED N#Cc1cc(Cl)ccc1COc1ccc2c(c1)CCC2=O 188029368 GLBPHQOBEHUXOQ-UHFFFAOYSA-N 297.741 3.920 30 20 CHED CC(C)(C#N)CCSc1nc2cc(F)c(F)cc2[nH]1 123943917 PEFJIYGXAHMWFR-UHFFFAOYSA-N 281.331 3.873 30 20 CHED COc1cc(F)c(NCc2ccc(C#N)cc2F)cc1F 125188142 ZTTKAXDOQTZVEE-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CCCc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)sc1C 122127893 DLFQNEIMEKBGAP-ZDUSSCGKSA-N 278.421 3.677 30 20 CHED C#CCCCCNC(=O)c1ccc(-c2ccc(C)o2)s1 181364528 ZGWNKUFVTYVIMZ-UHFFFAOYSA-N 287.384 3.850 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(CC(C)C)c1CC 182650483 WBAMAYNDXZNSJR-AWEZNQCLSA-N 291.439 3.576 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccccc1OC(F)F 189999380 PAKPHVPUBADULO-OAHLLOKOSA-N 283.318 3.507 30 20 CHED C=C(C)CN(C)C(=O)CCCc1nc2ccccc2s1 180377485 LTFFEKNZGPYHOG-UHFFFAOYSA-N 288.416 3.654 30 20 CHED N#CCc1cccc(NC(=O)c2cnc3ccccc3c2)c1 313466855 SYSJLINJJLHPGV-UHFFFAOYSA-N 287.322 3.553 30 20 CHED Cc1nc(N2CCCC(C)(C)C2)c(Cl)cc1C#N 311094127 IVLGDQJKWMSFPF-UHFFFAOYSA-N 263.772 3.542 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(N(C)C)cc1)C2=O 36382845 DCNZSOINCRFTJX-WJDWOHSUSA-N 277.367 3.883 30 20 CHED CCCc1cccc(CN(CCC#N)Cc2cccnc2)c1 186802945 ZIKBTRHSIGERPP-UHFFFAOYSA-N 293.414 3.950 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc2ncccc2c1 489461761 JBNYZIBUCCSFAV-INIZCTEOSA-N 252.361 3.775 30 20 CHED CC[C@@H](Nc1ccc(C#N)cn1)c1cc(F)ccc1F 77232950 FSPTXWDSRUOQLL-CQSZACIVSA-N 273.286 3.795 30 20 CHED C=CC[C@@H](CC)NC(=O)c1csc2c1CCCC2 410129331 YHUMSYHROJYOCD-LLVKDONJSA-N 263.406 3.711 30 20 CHED C=C(C)CCc1noc(COc2ccc(C)c(C)c2)n1 508668459 YCYHZLBSPVCBGU-UHFFFAOYSA-N 272.348 3.774 30 20 CHED C[C@H](Nc1ccccc1O[C@H](C)C#N)c1ccccn1 180203011 WYLSHTNYTYIOMB-OLZOCXBDSA-N 267.332 3.546 30 20 CHED COc1ccc(-c2nc(CSCCC#N)cs2)cc1 413009944 DXGZYKFAOIFPGE-UHFFFAOYSA-N 290.413 3.966 30 20 CHED C=CC[C@@H](CC)NC(=O)COc1ccc2ccccc2c1 410144714 XVQJFVXBKLHEGR-MRXNPFEDSA-N 283.371 3.690 30 20 CHED Cc1ccc([C@@H]2OCCC[C@H]2Nc2ccc(C#N)nc2)cc1 509547620 AIHSAKJKWICHIO-MSOLQXFVSA-N 293.370 3.594 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)nc1Br 188022377 ILNYMCUOSBPUGT-ZDUSSCGKSA-N 297.196 3.693 30 20 CHED CC(C)Sc1ccccc1C(=O)NCC1(C#N)CCC1 416361472 YBSHRUDBLIRTMF-UHFFFAOYSA-N 288.416 3.611 30 20 CHED COc1ccc2c(c1)[C@@H](NCCCCC#N)CCCS2 187950708 FZMFAPDGQLOZGZ-HNNXBMFYSA-N 290.432 3.906 30 20 CHED Cc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1C 444737267 RPOOYHUMRSWMJN-MRXNPFEDSA-N 256.393 3.818 30 20 CHED C=CCC[C@@H](C(=O)NCc1cccc(O)c1)c1ccccc1 189520266 VIDDCPAYJMFKGH-GOSISDBHSA-N 295.382 3.758 30 20 CHED Cc1ccccc1[C@@H](C)NCc1ccc(F)cc1C#N 181559554 YFXNDQRVPKKWBY-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C[C@]1(C(O)=Nc2ccc3nc(C4CCC4)[nH]c3c2)CCOC1 329666307 KYGKSSYREYHNOH-KRWDZBQOSA-N 299.374 3.845 30 20 CHED CC(C)(C#N)NC(=O)c1ccc(-c2ccc(F)cc2)s1 80000229 NLVHWXGYJIRZND-UHFFFAOYSA-N 288.347 3.586 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)CC(C)C 506659416 BJCGGOGOUVAJKG-CQSZACIVSA-N 254.418 3.809 30 20 CHED CC1(C)CN(c2ccc(C#N)cn2)C[C@H]1c1ccccc1 135580484 DSOKPYZVXAAFQY-INIZCTEOSA-N 277.371 3.583 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)CCOc1ccccc1 410138608 GZBAJAXZHNANRW-GJZGRUSLSA-N 275.392 3.563 30 20 CHED C=C(C)COc1cccc(NC(=O)C[C@@H]2CCCCO2)c1 87235870 QQSPIEFPVHAEQM-INIZCTEOSA-N 289.375 3.539 30 20 CHED C=CC[C@@H](C)NC(=O)c1c(Cl)cccc1Cl 81756909 HKEDFARKJOPHSE-MRVPVSSYSA-N 258.148 3.688 30 20 CHED COc1ccc([C@H](NCCCCC#N)C(C)C)c(F)c1 421827815 ZQNPAIUEUFAWNR-MRXNPFEDSA-N 278.371 3.815 30 20 CHED Cc1ccoc1CN(C)CC#Cc1cccc(Cl)c1 429378182 GSZXXSZALHYLSO-UHFFFAOYSA-N 273.763 3.725 30 20 CHED COc1ccccc1/C=C1/Cc2c(F)cc(F)cc2C1=O 131158851 IBMSVFLFCYGWLW-WDZFZDKYSA-N 286.277 3.796 30 20 CHED CC(C)c1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 46439717 XLITWCOQPXIUOO-OAHLLOKOSA-N 264.328 3.695 30 20 CHED OC(CC1CCCC1)=Nc1nnc(C2CCOCC2)s1 329472093 SDXWEDASSQQAPO-UHFFFAOYSA-N 295.408 3.600 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 192526667 YQSVQNKCJXBVSS-UHFFFAOYSA-N 295.729 3.530 30 20 CHED C[C@@H](NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ccc(C#N)cc1 133212096 DJWJJKPQLMKYPO-AQWZQNETSA-N 288.394 3.795 30 20 CHED CC[C@H](C)CNC(=O)N[C@@H](CCCC#N)c1ccccc1 420846880 JNARXWCQZCFEIR-HOCLYGCPSA-N 287.407 3.767 30 20 CHED C[C@H]1CC[C@H](C)N1CC(O)=Nc1c[nH]nc1-c1ccccc1 329185772 OSJDQIFYCJNBKC-STQMWFEESA-N 298.390 3.538 30 20 CHED C[C@H]1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 133995356 MQKCUNVLGCOANX-HEHGZKQESA-N 270.376 3.562 30 20 CHED CCC[C@H](CC)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425434646 QKXWVZXDWMVHIA-BBRMVZONSA-N 287.407 3.839 30 20 CHED N#CCc1cccc(C(=O)NCCCCC2CCCC2)c1 81360725 RCHUCORHSOYOFE-UHFFFAOYSA-N 284.403 3.843 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(C)CCC(C)CC1 514240382 AOGFJIPRFDLILR-JVWICGRDSA-N 252.402 3.609 30 20 CHED CC[C@H](C)Oc1ccccc1/C=C/C(=O)O[C@H](C#N)CC 84697741 FNSKFUYMTZXECP-GGBPEREOSA-N 287.359 3.722 30 20 CHED CC[C@@H](C)CNCc1ccc(C#N)cc1C(F)(F)F 421369928 CTRPUKAXYYLEES-SNVBAGLBSA-N 270.298 3.713 30 20 CHED C[C@@H](Nc1c(Cl)cccc1C#N)c1ccncc1F 337871620 RNTJOBDCCQJCAG-SECBINFHSA-N 275.714 3.919 30 20 CHED O/C(CCc1ccncn1)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 330230702 QSAOOJKOCROXSL-OFQRWUPVSA-N 287.407 3.725 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nncs2)cc1 425565197 GNDWJUNGBOFCBG-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(Oc2ccccc2)CC1 424628310 WOMNTCYNVBAADL-UHFFFAOYSA-N 287.403 3.659 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCCC12CCOCC2 337456544 JIDOEVBMBYKCMK-SOUVJXGZSA-N 251.414 3.526 30 20 CHED Cc1ccc(C(=O)N(C)C[C@@H](C)C#N)c(Cl)c1Cl 336238716 CHUSRILPRWKBFK-QMMMGPOBSA-N 285.174 3.534 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(COCC)cc1)OCC 339372661 QACVTMVVTHIBJL-MRXNPFEDSA-N 291.391 3.533 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 510384315 WNTNETYMNVTVGX-BLLLJJGKSA-N 298.773 3.705 30 20 CHED CC(=O)c1ccc(C#N)c(NCC2CCC(F)(F)CC2)c1 336987348 IFSQOXFJSCSDKM-UHFFFAOYSA-N 292.329 3.998 30 20 CHED C[C@H]1CC[C@@H](NC(O)=Nc2cccc(OC(F)F)c2)C1 331291627 PQHGXKNSSGKEMT-GXSJLCMTSA-N 284.306 3.612 30 20 CHED N#Cc1cccc(/C=C\c2ccc3cccc(O)c3n2)c1 96939784 WHDHJUSQNPTEQV-CLFYSBASSA-N 272.307 3.982 30 20 CHED Cc1nnccc1N/C(O)=N/[C@@H]1CCC[C@H](C(C)C)CC1 330130397 OYSYPFAGCHYDOR-UONOGXRCSA-N 290.411 3.716 30 20 CHED CN(CCC#N)c1ccc(CN(CC2CC2)CC2CC2)cc1 93480129 LAIHPFNXBQZZPX-UHFFFAOYSA-N 297.446 3.658 30 20 CHED CC1CCC(C)(/N=C(/O)[C@@H](C)c2cncnc2)CC1 330250729 HIKVAMKFHPWDRM-AVERBVTBSA-N 261.369 3.505 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCc3sccc3C2)c1 335004000 KDEFSVIMNQJDBL-UHFFFAOYSA-N 297.383 3.518 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(O)cc1OC(C)C 432469672 FCYHKCNCODUNPD-UHFFFAOYSA-N 289.375 3.886 30 20 CHED CCCN(CC#N)Cc1ccc(C(C)(C)C)s1 92398364 OYQLBNKJYHFOKR-UHFFFAOYSA-N 250.411 3.781 30 20 CHED N#Cc1cccnc1N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 435566736 BKFOVEPDXXDQPA-SMDDNHRTSA-N 287.725 3.714 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC2(CCCC2)c2ccccc21 434018890 SZEJSSCWPSHJHK-OAHLLOKOSA-N 299.414 3.826 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc(C(C)(F)F)cc2)no1 334667777 GWHKCCNMJFLCKZ-VFZGTOFNSA-N 289.285 3.649 30 20 CHED C=CCCC(=O)Nc1cccc(C#Cc2ccccc2)c1 523956446 UKOFSMHUDZCDDB-UHFFFAOYSA-N 275.351 3.991 30 20 CHED C[C@@H](CNc1ccc(C#N)c(Cl)c1)c1nccs1 230608118 ZFHAALQIICBXFL-VIFPVBQESA-N 277.780 3.884 30 20 CHED CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1Cl 162929940 MOQALZOWPBREBK-BXUZGUMPSA-N 262.784 3.975 30 20 CHED N#Cc1ccc(F)cc1CN1Cc2cccc(Cl)c2C1 347455428 OBELOPZSISSYOY-UHFFFAOYSA-N 286.737 3.867 30 20 CHED CCN(CC)[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 248844818 ODIYMQIWIVEITD-NZSAHSFTSA-N 299.462 3.741 30 20 CHED C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)C1CCCCC1 435089547 ZJLGLAPDKRMNBE-AWEZNQCLSA-N 296.414 3.675 30 20 CHED CC(=O)c1cccc(NCc2ccc(CC#N)cc2)c1 342415518 DYKHQQMPDPELMK-UHFFFAOYSA-N 264.328 3.567 30 20 CHED CC(C)c1cnc(SCC#Cc2ccc(F)cc2)n1C 433389235 OGECHCQPKFFUFE-UHFFFAOYSA-N 288.391 3.826 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 248580644 VSYXLBHPUABIMV-NUJGCVRESA-N 284.403 3.830 30 20 CHED CC#CCCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 430271781 YWZBUIBTJXDMPW-HNNXBMFYSA-N 271.404 3.518 30 20 CHED C=CC1CCN([C@H](C)c2noc(-c3ccccc3)n2)CC1 341894895 KHMDHESPMISNJC-CYBMUJFWSA-N 283.375 3.696 30 20 CHED CCCc1occc1C(=O)Nc1ccccc1CC#N 344326177 BYCQATOSKXEWRZ-UHFFFAOYSA-N 268.316 3.550 30 20 CHED CCCC1(C(=O)Nc2cc(C#N)c3ccccc3n2)CC1 344982757 RPJQHCGNAKHAFO-UHFFFAOYSA-N 279.343 3.625 30 20 CHED C[C@@]1(F)CCN(c2ccc(C#N)cc2C(F)(F)F)C1 346704190 XUTFIOALWAESPR-GFCCVEGCSA-N 272.245 3.515 30 20 CHED C=C[C@@H](C)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 341999763 FIIOOIYGSCGTEL-LLVKDONJSA-N 286.762 3.706 30 20 CHED CC(C)CN(CCC1CCOCC1)c1ccc(C#N)cc1 432817056 AUPDZKDSRVCJQG-UHFFFAOYSA-N 286.419 3.837 30 20 CHED Oc1nc2ccccc2cc1C=Nc1cc(F)cc(F)c1 255560495 HICAFPGSUPSLNR-UHFFFAOYSA-N 284.265 3.969 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C2CCC2)cc1 347759317 XQACSNVJXKVJHC-ZDUSSCGKSA-N 273.376 3.874 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc2cccnc2c1 601037312 WABVFLPCPNFEIC-UHFFFAOYSA-N 295.386 3.637 30 20 CHED N#Cc1nccnc1N[C@@H]1CC=C(c2ccc(F)cc2)CC1 349896658 WETSBVCGYCUYNQ-OAHLLOKOSA-N 294.333 3.535 30 20 CHED CC[C@@](C)(NCc1ccc(CC#N)cc1)c1nc(C)cs1 342748967 JWXGEKFXTPMXOI-QGZVFWFLSA-N 299.443 3.933 30 20 CHED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1ccc(O)c(F)c1 255008077 YZNWWGSCHXWLTC-IWQZZHSRSA-N 296.219 3.845 30 20 CHED C=CCOc1cc(OC)ccc1-c1nc(-c2ccoc2)no1 347101392 NEOKNJICLBPJJW-UHFFFAOYSA-N 298.298 3.570 30 20 CHED C=CCCCOc1ccc(C)cc1C(=O)NCC(C)C 607148725 MMWMXEZZWNBGOR-UHFFFAOYSA-N 275.392 3.726 30 20 CHED CCOc1cccc(C=Nc2cccc(COC)c2)c1O 255323256 ZGWBFKHZFNCUSW-UHFFFAOYSA-N 285.343 3.688 30 20 CHED C[C@@H](CCC#N)CN(C)[C@H](C)c1cc(F)ccc1F 602437490 AHHLNHHFBCNTJI-NWDGAFQWSA-N 266.335 3.897 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)OCC 535906778 WOAGHGKQPWSMAU-OAHLLOKOSA-N 295.810 3.670 30 20 CHED C=CC(C)(C)C(=O)N[C@H](CC)c1ccc(F)cc1F 449950969 GPSHWUGRSAKJKH-CYBMUJFWSA-N 267.319 3.744 30 20 CHED Cc1ccc([C@H](CNC[C@@H](C)CCC#N)N2CCCC2)cc1 602533019 MXQOQEXRXXAXLY-HKUYNNGSSA-N 299.462 3.661 30 20 CHED C=C(C)CCN[C@H]1CCC[C@H](c2ncccc2C)C1 449470941 BRXZCHPGDBDGRQ-HOTGVXAUSA-N 258.409 3.972 30 20 CHED C[C@H](CCC#N)CN1CC[C@@H](Oc2ccccc2Cl)C1 602484537 OACKBHSUKFHTAM-ZIAGYGMSSA-N 292.810 3.733 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1C[C@H]1c1c(F)cccc1Cl 602692745 YMWJVNSQLDNUQQ-MISXGVKJSA-N 280.774 3.864 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CC1CCCCC1 448829497 ZINSWUCRVMJXLW-ZACQAIPSSA-N 291.435 3.539 30 20 CHED CCC[C@H]1C[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 267738524 OKGGJHAMGPJCQT-WFASDCNBSA-N 285.391 3.798 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1ccncc1CC 537181384 VZAODCYRGRRLOH-KBPBESRZSA-N 289.423 3.749 30 20 CHED CC[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1 447598973 JCEPZDFPSICTRX-JKSUJKDBSA-N 286.419 3.945 30 20 CHED CC(C)[C@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CS1 619847285 NSFGBVSNFIXYJR-UKRRQHHQSA-N 294.851 3.831 30 20 CHED COc1cccc2c(N3CCC[C@](C)(C#N)C3)c(C)cnc12 615713097 CHFQLYQKHNQXNY-GOSISDBHSA-N 295.386 3.682 30 20 CHED C=CCC1(NC(=O)c2ccc(C(F)(F)F)[nH]2)CCCC1 619110689 NIUGBIDZDVBSRB-UHFFFAOYSA-N 286.297 3.652 30 20 CHED Cc1cc(CNC2(C)Cc3ccccc3C2)ccc1C#N 444005732 YGKAIOVSMYBWGE-UHFFFAOYSA-N 276.383 3.514 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C 443196461 LFGBKFSVOKXPCG-BQFCYCMXSA-N 274.452 3.931 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C[C@H]1CCc2ccccc21 613363447 KLRFWNFFTGVRQP-KDOFPFPSSA-N 284.403 3.551 30 20 CHED C[C@@H](C#N)CN(C)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 266898194 CQWNESFYHPWVAY-VHSXEESVSA-N 299.201 3.715 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)[C@@H](C)C2CCCCC2)C1 532334963 QTTHMKZAMBANEP-DLOXAQCQSA-N 276.424 3.647 30 20 CHED C=CC[C@H](CO)CN[C@H](c1cc2ccccc2o1)C(C)C 539562500 BLYKYMQKXQRYTB-KSSFIOAISA-N 287.403 3.904 30 20 CHED C[C@H](c1ccco1)N(Cc1ccc(OCC#N)cc1)C1CC1 267940767 PYSFDFHHVFHSNA-CQSZACIVSA-N 296.370 3.908 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H]1CC[C@H](C(C)C)CC1 533117791 XLTIWDMOUVFVEJ-SHTZXODSSA-N 264.413 3.599 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(C(C)=O)o1)c1ccccc1 362772275 FMJDPPIDTSPPAW-OAHLLOKOSA-N 297.354 3.920 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c1 456969185 QDTAZXNTIPCNIN-GJZGRUSLSA-N 296.395 3.979 30 20 CHED C[C@@H](Nc1cnc2ccccc2n1)c1cccc(C#N)c1 610340447 XDZAQWQLPOEDMP-GFCCVEGCSA-N 274.327 3.675 30 20 CHED C=C(CC)CNC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 455519027 HGCNHARFYZRRDQ-NSHDSACASA-N 294.345 3.560 30 20 CHED C=CCN(C(=O)Nc1cccc(-c2ncco2)c1C)C1CC1 455476490 AHVHVMOBFBBRMN-UHFFFAOYSA-N 297.358 3.832 30 20 CHED CC(C)(C#N)CNc1ccnc2cc(Cl)ccc12 611617810 BNZHRJZECITPDB-UHFFFAOYSA-N 259.740 3.850 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CC(C)(C)OC2(C)C)c1 273315322 OGWCFEUXPYQNIB-OAHLLOKOSA-N 286.375 3.519 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(C)cc2)no1)OCC 270060638 UMXQJJJMSHCEDT-CQSZACIVSA-N 272.348 3.569 30 20 CHED N#Cc1cc(F)ccc1CN[C@@H]1CCC12CCCC2 451452777 DXRXNMXIMHTUHJ-OAHLLOKOSA-N 258.340 3.510 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 628412688 IAGYVOJJTDHLNM-CYBMUJFWSA-N 293.357 3.883 30 20 CHED C=CCN(C(=O)[C@H]1CCc2cc(F)ccc21)C(C)(C)C 622945585 JPRKBTKVYPNHNE-HNNXBMFYSA-N 275.367 3.669 30 20 CHED CC[C@H](CC#N)NCc1c(F)cc(C)cc1Cl 459473627 DJKUIUUNCWCRQQ-SNVBAGLBSA-N 254.736 3.569 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@@H]2SCC)CCCC1 450090091 UDWYZYOWROCLER-KBPBESRZSA-N 281.465 3.913 30 20 CHED CC(C)(CC#N)CNC(=O)NCCC1=CCCCCC1 458639131 ICSAHABNFNUNNY-UHFFFAOYSA-N 277.412 3.506 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)NCc1ccc(C#N)cc1 272078506 QRMFTOVUKJFSLQ-ACJLOTCBSA-N 298.361 3.563 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 274375285 XGEVNGXUEIWLLX-DLBZAZTESA-N 269.388 3.633 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1CC 548996784 VZENNFUNIZSTGG-RYQLBKOJSA-N 283.415 3.920 30 20 CHED C=C1CCN(C(=O)c2ccc(Cl)cc2OCC)CC1 272336709 ONORVVRINUDHQD-UHFFFAOYSA-N 279.767 3.531 30 20 CHED C=CCCC[C@H](C)NC(=O)N1[C@@H](C)CC[C@@H]1CC 540569083 PVAACQACAKQIEQ-IHRRRGAJSA-N 252.402 3.704 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(OC(F)F)cc1 274416583 HZZRQXAAHRWNIG-DMDPSCGWSA-N 280.318 3.631 30 20 CHED Cc1nnc(CS[C@H](C)c2ccc(C#N)cc2)s1 271376813 PUQIAALQIYCFOX-SECBINFHSA-N 275.402 3.713 30 20 CHED C=C[C@@H](C)NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 465122117 RRRMWEIOPYKDBR-CQSZACIVSA-N 289.419 3.690 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccccc1C)C(C)(C)C 465284688 KGESYUMKJAMRQT-DZGCQCFKSA-N 274.408 3.956 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@H](Cc2ccccc2)C1 373349287 SWISXOPEQVOOEG-QGZVFWFLSA-N 283.415 3.517 30 20 CHED C=C(C)[C@@H](Cc1nc([C@@H](C)C(C)(C)C)no1)OCC 545736056 ZDZBYILTMDDIIG-VXGBXAGGSA-N 266.385 3.743 30 20 CHED N#CC1CCC(CNc2nc(-c3ccccc3)ns2)CC1 281701249 SWNVIKNAQGEASN-UHFFFAOYSA-N 298.415 3.947 30 20 CHED CC(C)CC(C)(C)CNC(=O)[C@H](C)c1cccc(C#N)c1 462174218 GAAPMOKTUXMIKG-CQSZACIVSA-N 286.419 3.850 30 20 CHED C=CC[C@H](CC)NCc1cnc(-c2ccco2)s1 281359954 NEPGZRJLHAWZDL-NSHDSACASA-N 262.378 3.847 30 20 CHED C=CCOc1ccccc1CNC(=O)c1cc(C)cc(F)c1 463831661 TWNDHHCRJFRUAN-UHFFFAOYSA-N 299.345 3.629 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(F)c1Cl 281068102 MJHGAXHRUISYER-SECBINFHSA-N 255.720 3.564 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(C)c1 469932938 AVWLIIYUJPLRIU-UHFFFAOYSA-N 293.370 3.859 30 20 CHED Cc1csc(NC(=O)CCCc2ccccc2)c1C#N 288679797 BXLCZTPPRXSTGE-UHFFFAOYSA-N 284.384 3.890 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)Cc1ccccc1C(F)(F)F 280973054 VNBHYWWWYFEHAX-AAEUAGOBSA-N 284.325 3.918 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(O)c(CC)c1 557422425 WXPDVVGADVBMNI-UHFFFAOYSA-N 295.382 3.783 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCOc1ccccc1CC 552219820 AILNPQGNHXRVPZ-INIZCTEOSA-N 287.403 3.585 30 20 CHED N#CCCCCCC(=O)OCc1ccc(Cl)cc1 805696912 OYCQSKPGFUOPHE-UHFFFAOYSA-N 265.740 3.857 30 20 CHED N#Cc1cccc(NC(=O)NC[C@H]2CCCCC2(F)F)c1 297474607 OFGAFAATBDMTOX-GFCCVEGCSA-N 293.317 3.505 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCc1c(F)cccc1Cl 803782868 VADIZNDAHVTUNI-AWEZNQCLSA-N 283.730 3.505 30 20 CHED N#CCC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1 565837069 XDTSAJQUTSGJHT-GVDBMIGSSA-N 282.387 3.584 30 20 CHED N#CCc1ccc(NC(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc1 565821056 VQWZFKLEOYZRLJ-NVXWUHKLSA-N 297.402 3.700 30 20 CHED C#CCN(C(=O)Nc1ccc(SC(F)F)cc1)C1CC1 296219584 PPTJJGUUNJMSMH-UHFFFAOYSA-N 296.342 3.631 30 20 CHED C#CCN(C)C(=O)Nc1ccccc1Oc1cccc(C)c1 801608054 QRZQGLVCZMLMMV-UHFFFAOYSA-N 294.354 3.884 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H]2c3ccccc3O[C@H]2C)c1 809145240 ZJZMXMSXJDPJRQ-IGMMZMAFSA-N 297.354 3.732 30 20 CHED C=C[C@@H](CC(=O)NC/C=C\c1cccnc1)c1ccccc1 647811895 OORJLCVOKUHJGB-KMDWOBIYSA-N 292.382 3.571 30 20 CHED C=CCCCCOC(=O)Cc1ccc(Cl)s1 811012346 IJSPZLDZVHZMGV-UHFFFAOYSA-N 258.770 3.844 30 20 CHED CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(CC#N)cc1 399151588 ZIVPPMVNGXPHPN-CQSZACIVSA-N 296.336 3.915 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 561838798 GRVNDHLRWKQXLT-CQSZACIVSA-N 293.370 3.871 30 20 CHED C=CCC[C@H](O)CN1CCCC[C@H]1c1ccccc1 565153057 PHLKIUWFFMSLPV-IRXDYDNUSA-N 259.393 3.541 30 20 CHED CCCCCCCC(=O)N1CC2(CCOCC2)[C@H]1C1CC1 818782982 WWJMUOMNTULYBN-QGZVFWFLSA-N 293.451 3.765 30 20 CHED C=CCNC(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 487911561 MOQUDZSFJBLROR-SFHVURJKSA-N 292.382 3.826 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2cc3cccc(Cl)c3o2)C1 819632062 NPDLQZYXJXBLDP-GXSJLCMTSA-N 288.734 3.508 30 20 CHED CC[C@H](C=NNc1ccc(C(=O)O)cc1)c1ccccc1 814680180 DQSZTCNSTJNTLE-CYBMUJFWSA-N 282.343 3.976 30 20 CHED C=CCCCS(=O)(=O)N(C)[C@H](C)c1ccc(C)cc1C 489109298 KOSBLGSZGGLLFF-OAHLLOKOSA-N 295.448 3.592 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccn(Cc2ccccc2)c1 488877525 KJFCXCKGDAEXFC-GOSISDBHSA-N 294.398 3.717 30 20 CHED CCC(=NNc1ncccc1C)c1ccc(Cl)c(N)c1 814911773 STXAEHIGBYFOPS-UHFFFAOYSA-N 288.782 3.852 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccc(F)cc2C#N)c1 487443645 GOAQOULSTWZZBI-UHFFFAOYSA-N 286.693 3.801 30 20 CHED Fc1ccc(NN=Cc2conc2Cc2ccccc2)cc1 814693552 XNCJCAMXTRXBBH-UHFFFAOYSA-N 295.317 3.851 30 20 CHED CCOC1CC(=NNc2ccnc3cc(Cl)ccc23)C1 814693795 HYKSQPRQRRDORN-UHFFFAOYSA-N 289.766 3.855 30 20 CHED C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cccc(C#N)c1 488472538 YUYNMLCVIARWSF-CYBMUJFWSA-N 295.342 3.659 30 20 CHED C=CC[C@H](CO)CNCC1CCC(c2ccccc2)CC1 579458923 VVKQQCJXUUYVPV-HFCFLWKCSA-N 287.447 3.735 30 20 CHED N#C[C@@H](C(=O)[C@H]1CCCSC1)c1ccc2ccccc2n1 810521173 LLWRNMTZJSEUTC-UONOGXRCSA-N 296.395 3.554 30 20 CHED CC(=NNc1nnc(-c2ccccc2)s1)c1ccco1 814948898 KNCNOLNVSAPYRN-UHFFFAOYSA-N 284.344 3.634 30 20 CHED C=CCCCCCN(C)C(=O)NCCSC(C)C 571192135 PJVJGNDKDMBDBO-UHFFFAOYSA-N 272.458 3.516 30 20 CHED CCc1ccc([C@@H]2CCCN(c3cc(C#N)ccn3)C2)cc1 579488650 RWXMEFWRQZFZIV-GOSISDBHSA-N 291.398 3.900 30 20 CHED CCCCCCC(=O)OCc1ccc(F)cc1C#N 728622253 DHWSVGSIHFKFOY-UHFFFAOYSA-N 263.312 3.711 30 20 CHED Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1F 577665829 FVBUZNNCWJKVTM-GOSISDBHSA-N 280.346 3.783 30 20 CHED Fc1cc(C=NNCCCc2ccccc2)cc(F)c1F 729145026 GRPBAAJDNMGMNZ-UHFFFAOYSA-N 292.304 3.660 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1c(Cl)cnn1C 823062771 OTQTWFYWGLCNJE-LBPRGKRZSA-N 299.846 3.800 30 20 CHED C[C@H](NC[C@]1(C)CC1(Cl)Cl)c1cccc(C#N)c1 828674762 GXZDCEXYOUCORZ-GWCFXTLKSA-N 283.202 3.793 30 20 CHED C[C@@H]1CN(c2nccc(C#N)c2Cl)[C@H]2CCCC[C@@H]12 570554237 LLQXZVKWOYVZRC-WXHSDQCUSA-N 275.783 3.622 30 20 CHED N#CC1(CNCc2cc(Cl)ccc2OCC2CC2)CC1 577014966 ZEYISGYYQFGLNV-UHFFFAOYSA-N 290.794 3.522 30 20 CHED C(=NNc1cccc2cnccc12)c1cccs1 728432404 SRSOOMLDBYVASO-UHFFFAOYSA-N 253.330 3.742 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(C#N)s2)C1 574288396 MKTUJTMAFWOXIE-MLGOLLRUSA-N 283.400 3.598 30 20 CHED C=CC1CCN(Cc2cncc(Br)c2C)CC1 667623911 HTUDCUNOSLTZQH-UHFFFAOYSA-N 295.224 3.551 30 20 CHED C=CCC(C)(C)CN[C@H](C)CC(=O)Nc1cccc(F)c1 570171577 CGOHBSKUYGFDBS-CYBMUJFWSA-N 292.398 3.735 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C(\C)c1ccccc1Cl 727376746 UQFBPENISOKJMD-ZKQHCESOSA-N 276.767 3.552 30 20 CHED N#Cc1cc(NC(=O)/C=C\Sc2ccccc2)ccc1F 728180581 UZANSYNMSZELEF-HJWRWDBZSA-N 298.342 3.942 30 20 CHED C=CCC(C)(C)CNC(=O)CCSc1ccccc1 490087425 IPEVVXYVUDKFMZ-UHFFFAOYSA-N 277.433 3.887 30 20 CHED C=C[C@H](CC(=O)OC[C@]1(C)C[C@@H]1F)c1ccccc1 822121733 YTAFSLPNACVQDD-INWMFGNUSA-N 262.324 3.638 30 20 CHED C#CCN(Cc1ccccc1)Cc1cc(COC)cs1 825893309 VNQQRFWZUILTAV-UHFFFAOYSA-N 285.412 3.530 30 20 CHED CCC(CC)C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 726366333 XFALHESJELKNML-CQSZACIVSA-N 296.370 3.804 30 20 CHED CCc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc(Cl)n1 905928497 CDAJYFUOHLISST-MFKMUULPSA-N 292.766 3.537 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2ccccc2o1 490086680 HSTXJIVYOLOOAR-UHFFFAOYSA-N 257.333 3.765 30 20 CHED Cc1cccc2oc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc12 904179065 DDAHSEBSOOMMFO-QGZVFWFLSA-N 284.359 3.799 30 20 CHED C=CCn1cccc1C(=O)N(CC)c1ccc(OCC)cc1 490046630 ISUAALWLKCLOBK-UHFFFAOYSA-N 298.386 3.740 30 20 CHED C=CC[C@H](NC(=O)c1ccccc1Cl)c1ccncc1 734234596 RJZICUMHTMUFRL-HNNXBMFYSA-N 286.762 3.782 30 20 CHED Cc1csc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1 581351080 DDIFEDKIDFSUCX-HNNXBMFYSA-N 276.405 3.649 30 20 CHED C=C1CCC(C(=O)N2CCn3c(Cl)ccc3[C@@H]2C)CC1 908234593 UDQOOYOKRDDSLL-LBPRGKRZSA-N 292.810 3.791 30 20 CHED C=CCC(CC=C)C(=O)OC[C@]1(C)CC1(Cl)Cl 837578086 HLZAVBVDXJCJGB-LBPRGKRZSA-N 277.191 3.882 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(F)ccc2Cl)C1 839062876 OFJFIKZUZUIICW-MWLCHTKSSA-N 281.714 3.718 30 20 CHED C=CCC[C@H](NC[C@@H](O)C1CCCCC1)c1ccco1 581256732 ISIPAFQPBGLHSD-JKSUJKDBSA-N 277.408 3.818 30 20 CHED C=CC[C@H]1N(Cc2cc(C(=O)O)co2)CCCC1(C)C 902545764 LBYUFHGIEQBHSC-CQSZACIVSA-N 277.364 3.545 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccccn1)C(C)(C)C 904791262 GUBGQTMJYCSBTH-CQSZACIVSA-N 274.408 3.811 30 20 CHED Cc1c(C(=O)/C=C\c2cc(C#N)cs2)cnn1C(C)(C)C 588559768 ZSNRYCCMEDINKQ-WAYWQWQTSA-N 299.399 3.776 30 20 CHED CC[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1cccc(C#N)c1 902889331 HHNQLZQWJDQUKB-IUODEOHRSA-N 297.406 3.602 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc(C(C)=O)cc1F 903138614 YNVWJMJQCVKMSE-LLVKDONJSA-N 264.296 3.536 30 20 CHED Cc1c(C(=O)N(O)Cc2ccc(F)cc2)ccn1C(C)C 904177927 TULRUINZYYFAGE-UHFFFAOYSA-N 290.338 3.548 30 20 CHED CN(C(=O)CCCCCC#N)c1cccc2ncccc12 588951573 QHFKVWSRNLNTEP-UHFFFAOYSA-N 281.359 3.672 30 20 CHED C#CCOc1ccc(CN[C@@H](CC)Cc2ccccc2)cc1 733327058 MMDBCOXERMTBPL-IBGZPJMESA-N 293.410 3.810 30 20 CHED COc1ccc(C(=O)/C=C/c2cncn2C(C)C)c(F)c1 901420704 SVXSNHSPMHJGCF-QPJJXVBHSA-N 288.322 3.508 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2ccc(F)cc2Cl)C1 839449266 MSDONTPJGXJOHW-MFKMUULPSA-N 295.741 3.647 30 20 CHED Cc1ccnn1-c1ccccc1NC(=O)CCCCCC#N 588959226 LPXWALPROSZWCK-UHFFFAOYSA-N 296.374 3.593 30 20 CHED CCCC(=NNc1nc(-c2ccncc2)no1)C1CCCC1 834952201 MLIDVMAGOMOOQR-UHFFFAOYSA-N 299.378 3.890 30 20 CHED CC1(C#N)CCC(=NNc2nccnc2C2CCC2)CC1 834980526 YWAJWSYJJFHSDT-UHFFFAOYSA-N 283.379 3.616 30 20 CHED CCc1nc(C)c([C@H](C)N(C)C(=O)C#CC(C)(C)C)s1 837435646 VZPYYHDKCYTMOX-LBPRGKRZSA-N 292.448 3.583 30 20 CHED CC(CCc1cccc(C)c1)=NN[C@@H](C)C(F)(F)F 834995454 FKGJHERSLYLDKY-LBPRGKRZSA-N 272.314 3.844 30 20 CHED C#CCCCCCOC(=O)[C@H](CC)CC(F)(F)F 835276338 CGLCSDZNUPLBQS-LLVKDONJSA-N 264.287 3.702 30 20 CHED CC(C)c1cccc(C(=O)NCC(C)(C)CCC#N)c1 597657588 BHUNALPRBYYQGU-UHFFFAOYSA-N 272.392 3.870 30 20 CHED CC(C)(C)C#CC(=O)N1CCCC[C@@H]1c1ccccc1 837532155 KOGBNWALGOLBBE-MRXNPFEDSA-N 269.388 3.790 30 20 CHED C=CCC(C)(C)C(=O)Nc1c(C)nc2ccc(Cl)cn12 839331972 KCKHTSPOLKIUEB-UHFFFAOYSA-N 291.782 3.837 30 20 CHED CC[C@@H](C)N(CC)C(=O)N[C@H](CCC#N)c1ccccc1 596503128 IICFQSUSBYDOCC-GDBMZVCRSA-N 287.407 3.861 30 20 CHED Cc1cc([C@@H](C)NC(=O)C#Cc2ccccc2)c(C)s1 747359819 LCSYJVFQUNYHJE-CYBMUJFWSA-N 283.396 3.594 30 20 CHED COCCON=C(C)c1ccc(-c2ccccc2)cc1 748788757 JOJIWOMRPJZCGX-UHFFFAOYSA-N 269.344 3.741 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cccc(OC)c1O 840971946 WDBOMQMBFLWHFZ-KRWDZBQOSA-N 297.398 3.678 30 20 CHED CCCCN(C(=O)CC1(C#N)CCCCC1)C1CC1 596745634 FJKWGLLAENPGQS-UHFFFAOYSA-N 262.397 3.642 30 20 CHED COCC(CC(C)(C)C)=NNc1ncnc2ccsc12 844585911 KUEJGXQXQMCHMF-UHFFFAOYSA-N 292.408 3.542 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1nc2ccccc2o1 598804389 FTGUGMNQXHRROO-UHFFFAOYSA-N 297.358 3.655 30 20 CHED C=CC[C@H](C(=O)OCc1nc(C)oc1C)c1ccccc1 841337933 HOPFEVCKAXQJPF-HNNXBMFYSA-N 285.343 3.695 30 20 CHED FC(F)(F)COc1ccccc1CON=C1CCC1 742461828 FSBLMJLHUDLTBT-UHFFFAOYSA-N 273.254 3.684 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 591779866 PNRGDPDOKZENAU-FZMZJTMJSA-N 290.794 3.654 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCC[C@@H](C)C1 915920346 FWJOJCDKHCMDAR-LLVKDONJSA-N 275.421 3.848 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 917312861 SSUYLCFVYPIEHF-SNVBAGLBSA-N 289.158 3.711 30 20 CHED CC[C@@H](SC)C(=O)[C@H](C#N)c1ccc2ccccc2n1 747200987 MZNHVRSAOPDRDF-IUODEOHRSA-N 284.384 3.553 30 20 CHED CCCCCCCCCNC(=O)N1CCO[C@H](CC)C1 916194345 UZMCGHMLFQBDLG-OAHLLOKOSA-N 284.444 3.557 30 20 CHED N#CC1(OC(=O)CCc2c(Cl)cccc2Cl)CCC1 847656586 GDHZMAQDOAMRPF-UHFFFAOYSA-N 298.169 3.915 30 20 CHED C=CCCOC(=O)[C@H](C)c1ccccc1C(F)(F)F 744049084 HZKDCUVDOFUANS-SNVBAGLBSA-N 272.266 3.928 30 20 CHED C[C@@H]1CCCCCC1=NNc1ccc(C(F)(F)F)nn1 844590935 YVFPTYNAVDCURC-SECBINFHSA-N 286.301 3.864 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)o1 745611793 JCQFEESTVZAIJC-CMPLNLGQSA-N 298.346 3.832 30 20 CHED COc1ccccc1CC(C)=NNc1ccccc1 916245808 BVKINZQIIHEEHZ-UHFFFAOYSA-N 254.333 3.726 30 20 CHED C#CCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1 743279170 PBZPGFRCBDQDBL-UHFFFAOYSA-N 290.322 3.724 30 20 CHED COCCOCc1cccc(-c2ccc(C)cc2C#N)c1 592988191 HRBAUAIIFLCHBR-UHFFFAOYSA-N 281.355 3.697 30 20 CHED C=CCCCCCN(C)C[C@@H]1CC1(Cl)Cl 740426492 AMNCWWGIAHORSZ-NSHDSACASA-N 250.213 3.858 30 20 CHED N#CC1(CCOC(=O)C=C2CCSCC2)CCCCC1 840406195 XHILNOCIZKCRSK-UHFFFAOYSA-N 293.432 3.847 30 20 CHED Fc1cccc2c1CCC2=NNc1ccc(Cl)nc1 743450460 QPABKZGOXAHSJE-UHFFFAOYSA-N 275.714 3.637 30 20 CHED C#CCN(Cc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 744213944 XPBJMOWFLFNXJS-UHFFFAOYSA-N 290.338 3.502 30 20 CHED C=C(C)CNC(=O)c1ccccc1NCc1ccccc1 681748668 YVOWYLJIOICPAG-UHFFFAOYSA-N 280.371 3.605 30 20 CHED N#CC1(CC(=O)Nc2ccc(O)cc2Cl)CCCCC1 597858279 XEXOTAVJMIRLBE-UHFFFAOYSA-N 292.766 3.848 30 20 CHED CCCCO[C@@H]1C[C@H](/N=C\c2cccc(O)c2O)C1(C)C 749007064 AIWQFHCSBCQUFS-UCEVQLITSA-N 291.391 3.501 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)OC1(C#N)CCC1 842320952 UWGJBMVFDNJSEB-CYBMUJFWSA-N 275.373 3.547 30 20 CHED CCC/C(C)=C\C(=O)Nc1sc(CC)cc1C#N 920223600 MZZHVNKCGCNOBM-YFHOEESVSA-N 262.378 3.867 30 20 CHED N#Cc1c(Cl)nsc1NCc1ccc(F)c(F)c1 920340599 SCOLUDXUYZJLCE-UHFFFAOYSA-N 285.706 3.558 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1F 752880178 HLRTXDYGYAXPKG-DAXSKMNVSA-N 289.237 3.769 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)OCc2cccc(C#N)c2)C1 750248230 MXTBJNLHWHHWFA-UONOGXRCSA-N 271.360 3.818 30 20 CHED COc1cccc2c1C/C(=C/c1nc(Cl)cs1)C2=O 759083163 LZIZRVRKJYHXHI-VURMDHGXSA-N 291.759 3.628 30 20 CHED N#Cc1cc2ccccc2nc1NC[C@H]1CC1(Cl)Cl 750013609 NVLIFVNLCSZERY-LLVKDONJSA-N 292.169 3.712 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cc(COC)cs1 857048126 RPTVKJUKDWTFJK-UHFFFAOYSA-N 268.378 3.540 30 20 CHED N#CCCCCOC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 756373651 YGQZAQXTAVZROQ-SOUVJXGZSA-N 263.381 3.830 30 20 CHED C#CC[C@H](NC(=S)NC1CCCCC1)c1ccccc1 756856279 MTJLXRGXFFTISU-INIZCTEOSA-N 286.444 3.548 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCc1cc(F)ccc1F 851210810 VJIGXCRWIWTRTQ-LLVKDONJSA-N 295.329 3.769 30 20 CHED C#CC[C@@H](Nc1cc(Cl)nc(C)n1)c1ccccc1 756957526 UAVCTKTUYGBYRH-CYBMUJFWSA-N 271.751 3.615 30 20 CHED C[C@@H]1CC/C(=C/C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 753640361 NVZBANVIDYMQRK-FNWMBBJUSA-N 285.391 3.800 30 20 CHED CC(C)CN(Cc1ccc(CC#N)cc1)Cc1ccccn1 932448721 DSLGJWBHIHXCLI-UHFFFAOYSA-N 293.414 3.806 30 20 CHED C=CCCC(=O)COC(=O)CCC(C)(C)c1ccccc1 761429713 FOUKNEANYDDABQ-UHFFFAOYSA-N 288.387 3.823 30 20 CHED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccco1 764813985 WSGRABASXFIWOM-LBPRGKRZSA-N 294.310 3.676 30 20 CHED Cn1nccc1C(=O)/C=C\c1csc(Cl)c1Cl 766034874 USAPPEBJZFBLDF-IHWYPQMZSA-N 287.171 3.685 30 20 CHED C=CCCC(=O)COC(=O)c1sccc1C(C)C 761387910 AMENAOPRNWBSHY-UHFFFAOYSA-N 266.362 3.564 30 20 CHED C[C@@H]1CN(C(=O)Nc2sccc2C#N)[C@@H]2CCCC[C@H]12 931837151 FAXKSOCZNXDRJJ-RAIGVLPGSA-N 289.404 3.662 30 20 CHED C=C(C)CNc1cccc2c1CN(c1ccccn1)C2 768388590 RASVUKNYLHSALK-UHFFFAOYSA-N 265.360 3.590 30 20 CHED CCCCCCCC(=O)OCC(=O)N(C)C1CCCCC1 866460523 JETUHJDPMDXHAC-UHFFFAOYSA-N 297.439 3.681 30 20 CHED C=CCNC(=S)Nc1cc(C(F)F)ccc1Cl 767705250 GDDGYHZAWDEJPU-UHFFFAOYSA-N 276.739 3.750 30 20 CHED Cc1cc(O)c(CNc2cc(F)cc(C#N)c2)cc1C 864044200 ULLCWEQMEZGUNK-UHFFFAOYSA-N 270.307 3.632 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1occc1C 767789629 ZZUDWTKDUXIQQS-UHFFFAOYSA-N 268.238 3.841 30 20 CHED CC#CCCOC(=O)c1csc(-c2ccccc2C)n1 760273126 DVTIRABMOSXHEL-UHFFFAOYSA-N 285.368 3.689 30 20 CHED CCN(CC)c1ccc(CN(C)Cc2ccc(C#N)o2)cc1 768208529 RTHSFLJIGSZMSH-UHFFFAOYSA-N 297.402 3.629 30 20 CHED N#CC1(COC(=O)CCc2cccc(Cl)c2)CCC1 768085966 PJNGEDFBXXSRQN-UHFFFAOYSA-N 277.751 3.510 30 20 CHED Cc1cc(C)cc(NN=C2CCCc3scnc32)c1 863072883 AWHLMTDQVJQEPU-UHFFFAOYSA-N 271.389 3.912 30 20 CHED COc1cc(/C=C\C(=O)c2ccco2)c2c(c1)C[C@H](C)O2 769784204 QUDTUBHHWIAZJK-GZTOBOFZSA-N 284.311 3.508 30 20 CHED CCOc1ccc(C=Nc2cccc(C#N)c2C)c(O)c1 769773933 MDQRJWWDGGKALF-UHFFFAOYSA-N 280.327 3.722 30 20 CHED COc1ccc2oc(C=Nn3cnc4ccccc43)cc2c1 763359644 QXESFRBHYXHBRO-UHFFFAOYSA-N 291.310 3.673 30 20 CHED Cc1oc2ccccc2c1C/N=C\c1cccc(O)c1O 767335810 ATASKSQGRQWGGS-NVMNQCDNSA-N 281.311 3.772 30 20 CHED C#CCCCC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 1117819720 UBLJMJSLGOEDFE-INIZCTEOSA-N 293.769 3.850 30 20 CHED C#CCCCCCC(=O)N1CCCc2cc(C)cc(F)c21 779851988 CBLHATFNZBKDEO-UHFFFAOYSA-N 287.378 3.997 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3cc(F)ccc3F)n2c1 771851763 VBXDSRNQDXALKE-XQRVVYSFSA-N 298.292 3.817 30 20 CHED N#C[C@@H](OC(=O)/C=C\c1ccsc1)C1CCCCC1 776363580 IZFHWVPZJCWYCR-LMVHVUTASA-N 275.373 3.777 30 20 CHED N#C[C@@H](COC(=O)C1CCC=CCC1)Cc1cccs1 873516101 SSTGEFPGRHMTHW-ZDUSSCGKSA-N 289.400 3.720 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC)c(OCC)c1 779852174 GHMDEABBGCUKIK-UHFFFAOYSA-N 289.375 3.616 30 20 CHED C=C(Cl)CN1CCC(c2ccc(N(C)C)cc2)CC1 775885330 ZAVYPGNTWYVZTF-UHFFFAOYSA-N 278.827 3.685 30 20 CHED C#CC[C@H](N[C@H]1CCO[C@H](C(C)C)C1)c1ccccc1 776744236 GDICHGZULFDHAW-BZSNNMDCSA-N 271.404 3.544 30 20 CHED CCC(CC)CNN=Cc1cnc(C(C)C)s1 774474201 WZYSJSFHECJVEX-UHFFFAOYSA-N 253.415 3.626 30 20 CHED CC[C@@H](C)Oc1ccccc1/C=C/C(=O)OCC1(C#N)CC1 775857271 QAFZVCXNURKYJB-MYSGNRETSA-N 299.370 3.724 30 20 CHED C#CC[C@H](N[C@@H](CC)C1CCOCC1)c1ccccc1 773115769 OWGNSNQFAIUBRY-ROUUACIJSA-N 271.404 3.546 30 20 CHED C=C(C)CNC(=S)Nc1cccc(C(C)(C)C)c1O 774255276 ZMWSNVDXKSKQMY-UHFFFAOYSA-N 278.421 3.552 30 20 CHED C=CCCOCCCCC(=O)Oc1cc(C)ccc1C 776073959 SPKYCFGTCUQZND-UHFFFAOYSA-N 276.376 3.972 30 20 CHED N#CCOc1ccccc1C(=O)Nc1ccc(C2CC2)cc1 771734022 RRKZFKGICJLYCG-UHFFFAOYSA-N 292.338 3.719 30 20 CHED CCCCCCCN1CC[C@@]2(C1)C(=O)Nc1ccccc12 778202448 HUBZAHNABDZRIB-SFHVURJKSA-N 286.419 3.553 30 20 CHED C#Cc1cccc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c1 779769933 CRRBUHWQYMDXCB-CHWSQXEVSA-N 255.361 3.679 30 20 CHED C=C(CC)C(=O)NCc1cccc(-c2csc(C)n2)c1 1123839141 ZEOCBAWXEMSJOB-UHFFFAOYSA-N 286.400 3.701 30 20 CHED CCCCCC/C(C=NOCC(N)=O)=C\c1ccccc1 771576252 VINGBPRFNYHKAM-HHJOHKHFSA-N 288.391 3.528 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)[C@@H]1CCOc2ccccc21 779817346 PTLWYYOSBQDTQZ-LBPRGKRZSA-N 292.342 3.527 30 20 CHED Cc1cc(C)c(N)c(C(=O)O[C@@H](C#N)C2CCCCC2)c1 776381424 HDOKPHNIYIMLQL-HNNXBMFYSA-N 286.375 3.515 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](C)C1CCCCC1 772908588 KJYCOXADOGUFGB-HNNXBMFYSA-N 263.425 3.997 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)N(CC)[C@@H](C#N)CC)cc1 1121160661 HXXKDEVDFYJCMS-DZGCQCFKSA-N 288.391 3.628 30 20 CHED CC(C)n1cc(Cl)c(NCc2ccc(C#N)cc2)n1 886367293 TYUNYZSSXQXZEA-UHFFFAOYSA-N 274.755 3.601 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1/C=C\c1ccccc1 780033811 ZBNCVBQESOWJOS-HWOXTHGCSA-N 296.414 3.677 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1ccc(OCC)cc1 889108126 INSBUKRKDJQYQZ-UHFFFAOYSA-N 261.365 3.650 30 20 CHED C=C(Cl)CNC(=O)c1cc2ccccc2n1CCC 787013194 OQZREXJSSKGTQU-UHFFFAOYSA-N 276.767 3.534 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(F)c1[N+](=O)[O-] 784832550 TXRKEJZEBUIELS-AWEZNQCLSA-N 297.289 3.705 30 20 CHED CC[C@H](C)[C@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 780347472 NIOLDAXKQSNPRF-AVGNSLFASA-N 259.349 3.845 30 20 CHED C#C[C@H](OC(=O)c1ccoc1)c1ccc(Cl)cc1F 788154374 VGDDIECSARLHGC-ZDUSSCGKSA-N 278.666 3.603 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(CCC)cc1 782224053 HUOHGGHLLTUHJD-QGZVFWFLSA-N 275.392 3.806 30 20 CHED C=CCCN(C)C(=O)NCC(C)(C)CCCCC 786134539 KLEVZFDIGAFWLX-UHFFFAOYSA-N 254.418 3.810 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NNCCC(C)(C)C 782903088 PDZJXEIXHBIBLV-UHFFFAOYSA-N 291.395 3.929 30 20 CHED CC#CC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 788297599 ZEOYJNZOFLEFOQ-KRWDZBQOSA-N 269.388 3.838 30 20 CHED C#CCCCCc1nc(Cc2nsc3ccccc23)no1 896758168 NKGOPASXWHBKAO-UHFFFAOYSA-N 297.383 3.616 30 20 CHED C#CCC1(C(=O)OCC(=O)c2ccc(C)cc2)CCCCC1 788219003 ZBDDRPZMXCTRKO-UHFFFAOYSA-N 298.382 3.695 30 20 CHED CCCCCCCCOC(=O)Cc1cncs1 782353857 ATJGBLWFGFDIIE-UHFFFAOYSA-N 255.383 3.589 30 20 CHED Cc1cc(C)c2cc(NC(=O)CC(C)(C)C#N)ccc2n1 895060772 NIAXDUYJVFVCQX-UHFFFAOYSA-N 281.359 3.730 30 20 CHED CCCCC[C@@H](CC)C(=O)N(CC#N)c1ccccn1 892471776 VBTJOOFWKGUQAQ-CQSZACIVSA-N 273.380 3.545 30 20 CHED C=C(Cl)CN[C@H]1CCN(Cc2ccccc2)CC1(C)C 390898546 UHIAGIPEKGHJCX-INIZCTEOSA-N 292.854 3.629 30 20 CHED CCCC(=O)N1/C(=N/Cc2ccccc2)SCC1(C)C 892128918 VOOHLEJLNALTBG-ICFOKQHNSA-N 290.432 3.697 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](CC#N)c2ccccc2)C1 1131275906 HQKCIZISRMSCSJ-INMHGKMJSA-N 284.403 3.721 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(C(=O)N(C)C)cc1 792927340 VUWNWOJKNZHNDO-SEYXRHQNSA-N 293.366 3.593 30 20 CHED C=CCCCCCN1CCC[C@H]1C[C@H](O)c1ccco1 193390030 PGPHENBPESBZSQ-HOTGVXAUSA-N 277.408 3.914 30 20 CHED CO[C@@H]1CCC[C@@H](CC(=O)O[C@@H](C#N)C2CCCCC2)C1 796069229 UYJXGGAPSCOGGM-BMFZPTHFSA-N 293.407 3.597 30 20 CHED C[C@@H](NN=C/C=C\c1ccc(F)cc1F)C(C)(C)C 793114093 JGPGILDINCKCPI-INVXWIGMSA-N 266.335 3.988 30 20 CHED CCN(Cc1ccco1)[C@@H](C)c1ccc(C#N)cc1 194986361 GLFPZVVCZMWMOZ-ZDUSSCGKSA-N 254.333 3.734 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 829179370 LWLDLOVIEDPOGI-NUJGCVRESA-N 299.462 3.567 30 20 CHED CC(C)[C@H]1CCCC(=NNc2nc(-c3ccncc3)no2)C1 794502349 QUCMNDNRBYXJPB-ZDUSSCGKSA-N 299.378 3.746 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2cccc(Cl)c2)[C@H]1C 794454591 JHZADAVRMMIEPJ-WDEREUQCSA-N 294.782 3.717 30 20 CHED CCCCCCCC(=O)N1CCc2ccc(C#N)cc21 757542686 BLDPRUXJNRAFIP-UHFFFAOYSA-N 270.376 3.808 30 20 CHED C[C@H](COCc1ccccc1)CSc1cc(C#N)ccn1 1165519616 GQAJYVDFTVDRTH-CQSZACIVSA-N 298.411 3.898 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)OCc1ccc(C#N)cn1 1320777750 VJFODHOKMOZWDF-AWEZNQCLSA-N 286.375 3.603 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(OCCCC)cc1 1321715393 VQPMHAGQRFXOGW-ZBFHGGJFSA-N 277.408 3.717 30 20 CHED C=CCOc1cccc(CNc2ccc(OCC#N)cc2)c1 1322882455 HESBEUXTDVGIOK-UHFFFAOYSA-N 294.354 3.766 30 20 CHED Cc1c(C#N)cccc1C(=O)OCC[C@H]1CC1(Cl)Cl 1329161536 VCMLAEKTVQCWPK-NSHDSACASA-N 298.169 3.607 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(-c2ccccc2)o1 1320592607 RWHBOGUZGZSLLQ-UKRRQHHQSA-N 271.360 3.798 30 20 CHED CC[C@H](NC(=O)c1ccc(C)c(C#N)c1)c1ccc(F)cc1 1321349466 IFMZDRRXNMTNEQ-KRWDZBQOSA-N 296.345 3.887 30 20 CHED C[C@@H](CCC#N)CN1CCC(Nc2ccccc2)CC1 1330609632 KMVXMAICGIMXOV-HNNXBMFYSA-N 271.408 3.503 30 20 CHED C=CCCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 102225370 IPCGBAWUAAVDQY-CQSZACIVSA-N 257.377 3.780 30 20 CHED COc1cc(NC(=O)CC#Cc2ccccc2)c(C)cc1C 1344451060 GQNVYNDKGGHNOE-UHFFFAOYSA-N 293.366 3.692 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 1347522091 MTSZLLRHEUBQRG-QAPCUYQASA-N 296.414 3.694 30 20 CHED CCc1nnc(-c2ccccc2-c2ccccc2C#N)o1 1341291783 OQWYYTOOAYWKGA-UHFFFAOYSA-N 275.311 3.838 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCCC(=O)c2ccccc2)C1 1263481311 ATVGIXBSIFOFBW-ZBFHGGJFSA-N 299.370 3.665 30 20 CHED C=CCCCc1nnc(CSc2ccccc2OC)o1 1346627249 ZLZINSCBAMAWEI-UHFFFAOYSA-N 290.388 3.879 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)Cc1ccn(C(C)C)n1 1346350429 JCLXIRFNXCUVBB-HOCLYGCPSA-N 290.407 3.685 30 20 CHED C=C(CC)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 1351213910 ZOZDRHHVJNDJQN-HXUWFJFHSA-N 293.432 3.639 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C)nc1Cl 1350157958 PJKUPZSCFZRPLL-JTQLQIEISA-N 267.760 3.520 30 20 CHED Cc1c([C@@H](O)C(C)C)ccc(C#N)c1C(F)(F)F 725326787 WCDRPXMVJXJYRM-LBPRGKRZSA-N 257.255 3.575 30 20 CHED Cc1ccc(C(=O)N2CCCCC[C@H]2C(C)C)cc1C#N 1435703125 LFBXGHAORBXMPM-KRWDZBQOSA-N 284.403 3.908 30 20 CHED N#C[C@H](Sc1ccc(C(=O)O)cc1)C1CCCC1 1601050285 XBDBPASKHRERGL-ZDUSSCGKSA-N 261.346 3.559 30 20 CHED O=C(O)CCC[C@H]1CCCC(=NOCC2CCC2)C1 1608709989 ZQPZVSOKUKXJIL-GFCCVEGCSA-N 267.369 3.604 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc2ccc(F)cc2s1 112204159 AXPXIXBAWSYHTH-UHFFFAOYSA-N 290.363 3.805 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1cc(F)cc(C#N)c1 1462171014 OUZAHUCNRMJDPK-GFCCVEGCSA-N 282.318 3.748 30 20 CHED C[C@@H]1Sc2ccccc2N(Cc2cc(C#N)ccn2)[C@H]1C 1473243945 MIKGBXZWVWINTH-STQMWFEESA-N 295.411 3.843 30 20 CHED CC[C@H](C)Oc1cccc(NCc2cccc(F)c2C#N)n1 1474675889 GZPKJHLJGYKVAZ-LBPRGKRZSA-N 299.349 3.882 30 20 CHED C=C(Cl)CN1CC2(CCC2)c2c(F)cccc21 1473223780 HUFVVOQBVLNOSI-UHFFFAOYSA-N 251.732 3.820 30 20 CHED COC[C@H](Sc1c(C#N)cccc1C#N)c1ccccc1 1613008675 DRNGOJSBYGIUKE-INIZCTEOSA-N 294.379 3.910 30 20 CHED C[C@H](CCC#N)CN1CCC(OCC2CCCC2)CC1 1621128445 FHNHMSHHLZMHAM-OAHLLOKOSA-N 278.440 3.597 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1Cc1ccc(C#N)c(OC)c1 1621164204 UAJMRSLPZSJALS-RHSMWYFYSA-N 286.419 3.967 30 20 CHED C#Cc1cccc(NCc2cc(Cl)cc3c2OCC3)c1 228470436 BDIYGNLZWNOEGO-UHFFFAOYSA-N 283.758 3.868 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)s1 1639718653 JFKGUARYUYUVLK-ZETCQYMHSA-N 281.743 3.980 30 20 CHED N#Cc1ccsc1NC(=O)N1CC=C(c2ccccc2)C1 1563024282 DAAFUFFXKAFTGJ-UHFFFAOYSA-N 295.367 3.551 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC 1633875597 JIUISGOQQRWCPO-ZIAGYGMSSA-N 285.391 3.755 30 20 CHED CCc1nc(C#N)cc(N2CCCC(CC)(CC)CC2)n1 1655374813 SGMHZWUVHJANDQ-UHFFFAOYSA-N 286.423 3.707 30 20 CHED CC[C@H](Nc1cccc(F)c1C#N)[C@@H](O)c1ccccc1 1652204623 RHHNQWMYYOYUAZ-RDJZCZTQSA-N 284.334 3.621 30 20 CHED Cc1nc(C#N)cc(N[C@@H](c2ccccc2)C(C)(C)C)n1 1655276336 OEIUPVFQADAVHK-INIZCTEOSA-N 280.375 3.856 30 20 CHED COc1cc(NC(=O)CCCC(C)(C)C)c(F)cc1C#N 1587092863 VLSBNLXXYSEZFL-UHFFFAOYSA-N 292.354 3.861 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)c(Cl)c(C(=O)O)c1 1588673427 XJYYTJOECWXIRX-UHFFFAOYSA-N 299.729 3.718 30 20 CHED C=C(CNC(=O)OCCc1ccccc1)c1ccccc1 1669575259 OJULGQMMYKMIGS-UHFFFAOYSA-N 281.355 3.669 30 20 CHED Cc1cccc(-c2noc(-c3cccc(C#N)c3)n2)c1 230958176 DXCQUXGFWKXJLT-UHFFFAOYSA-N 261.284 3.584 30 20 CHED CCCCCCCN1CC[C@H](C(=O)O)[C@@H]2CCCC[C@@H]21 1595704706 WVUYJFJZOGWXTC-JYJNAYRXSA-N 281.440 3.922 30 20 CHED CCC[C@H](NC(=O)NCc1ccc(C#N)cc1)C1CCCC1 1679200216 RKJMGWBRMACWIV-KRWDZBQOSA-N 299.418 3.716 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(Cl)c(C)c1 1673159253 KTUIRIPIYSKDQG-UHFFFAOYSA-N 259.136 3.522 30 20 CHED CC(C)(C)C1CCN(Cc2ccc(F)c(C#N)c2)CC1 232491105 FWKAGTDCXHQUJK-UHFFFAOYSA-N 274.383 3.955 30 20 CHED C[C@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)[C@H](C)C1 1776062414 SNULRPRISUNBEG-VHSXEESVSA-N 278.327 3.748 30 20 CHED C=CCc1ccccc1C=NNc1cccc(C(=O)O)c1 1776038392 HZBVHDSKSYHZPK-UHFFFAOYSA-N 280.327 3.559 30 20 CHED C=Cc1ccc(/C=C\C(=O)c2cccc(C(=O)O)c2)cc1 1776194457 HZIXXWNAEQCPRQ-KHPPLWFESA-N 278.307 3.924 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccccc1OCC#N 150869981 UIDQLNYUISAVLZ-UHFFFAOYSA-N 288.391 3.535 30 20 CHED CC[C@@H](CSC)Nc1ccc(C#N)c(Cl)c1 162141204 AXQGJYFEFKZWFC-JTQLQIEISA-N 254.786 3.765 30 20 CHED C=C(C)CNc1cc(C(F)(F)F)nc(-c2ccncc2)n1 160604386 RBSFLPRYYMXAKJ-UHFFFAOYSA-N 294.280 3.545 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(OC(F)(F)F)cc1 163363218 GPPGAARFZAHUMN-SECBINFHSA-N 279.689 3.988 30 20 CHED CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H](C)C(C)C 155521369 CZEFCQSNCLNLSA-LLVKDONJSA-N 278.783 3.718 30 20 CHED COc1cc(C#N)ccc1CNc1ccccc1OC(C)C 157922785 FNSVWDNAOFUJHJ-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(=O)c2ccccc2o1 156801904 KKQWKHIIRXHUIV-UHFFFAOYSA-N 299.370 3.611 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)CC(C)(C)C#N 258932403 PAOPCLHJYDBTFW-UHFFFAOYSA-N 258.409 3.966 30 20 CHED C[C@H](C#N)OCCSc1nc(-c2ccccc2)cs1 801653728 JGBRENOOSIWXRF-LLVKDONJSA-N 290.413 3.831 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](CC)CC(F)(F)F)c1 823084569 VZVZUBNIJYAWBV-GFCCVEGCSA-N 283.293 3.609 30 20 CHED C#CCCOC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 858885051 FLYPVMIELBNRGT-GFCCVEGCSA-N 295.791 3.626 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)cc2C#N)sc1C 135157101 ATQGMRJIMLNXKF-UHFFFAOYSA-N 274.320 3.628 30 20 CHED CCCC(CCC)C(=O)Nc1ccc(C#N)cc1OC 130219220 RVRDHXQZATYHMN-UHFFFAOYSA-N 274.364 3.722 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CC[C@@H](C)C[C@H]1C 253309761 SZFDNIMYJMLTMR-SUYBPPKGSA-N 256.393 3.781 30 20 CHED CCOc1cc(C)ccc1NCc1ccc(C#N)cc1 37778007 MIBPLZYCOVXHOT-UHFFFAOYSA-N 266.344 3.878 30 20 CHED N#Cc1ccc(CNC23CC4CC(CC(C4)C2)C3)s1 166292904 WHZOLGYNYGEFAF-UHFFFAOYSA-N 272.417 3.678 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC[C@@H]1CCCCO1 657970705 FQTAODJTJTXKJF-OWCLPIDISA-N 251.414 3.670 30 20 CHED C#Cc1cccc(NC(=O)c2csc(Cl)c2)c1 188951765 JJGLEGPIABAXRR-UHFFFAOYSA-N 261.733 3.635 30 20 CHED Cc1nc(N(C)[C@H]2CC[C@H](C)C2)c(Cl)cc1C#N 360066046 MUQOIIZGQCPTDO-CABZTGNLSA-N 263.772 3.540 30 20 CHED C[C@@H](NC1CCC2(CC1)CC2)c1cccc(C#N)c1 488442170 DRGGIZDFLKZVMV-CYBMUJFWSA-N 254.377 3.932 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 692294517 VHFDVTMTAUNIAP-UHFFFAOYSA-N 276.767 3.526 30 20 CHED CC[C@H](NC(=O)C1(C#N)CCCCC1)C1CCCC1 382855395 REUVPKKPRSJPGD-AWEZNQCLSA-N 262.397 3.545 30 20 CHED COCc1ccc(CNc2ccc(Cl)c(C#N)c2)o1 394610395 SABWNRMAWOFWBY-UHFFFAOYSA-N 276.723 3.563 30 20 CHED C[C@@H](C#N)OC(=O)c1cccc(Oc2ccccc2)c1 3393261 FAIFMUVIJIXIPZ-LBPRGKRZSA-N 267.284 3.548 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCCCCC1 7010180 YASAADXLFAAIBN-UHFFFAOYSA-N 275.421 3.992 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 56817258 DJNLBHNMKQUMRW-RHSMWYFYSA-N 299.418 3.526 30 20 CHED Cc1ccc(NC(=S)NN=C2CCCCC2)cc1 57615191 KLXPXCUSBIAMFW-UHFFFAOYSA-N 261.394 3.602 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1cc(Cl)ccc1F 176807901 LYGPIRZPUQKERB-UHFFFAOYSA-N 295.745 3.637 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCc2c(Cl)cccc21 116949451 JMLQUVXKGLQJHG-HZMBPMFUSA-N 278.783 3.591 30 20 CHED N#Cc1ccc(CCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 54277201 SHUYAGZYIJXTOU-ROUUACIJSA-N 296.414 3.672 30 20 CHED CCS[C@@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 176982876 QJHFVNXCLZYHOJ-VXGBXAGGSA-N 280.462 3.774 30 20 CHED C#CCCCCC(=O)N(CC=C)Cc1ccccc1F 119677243 JUPGIYZOHWOVMC-UHFFFAOYSA-N 273.351 3.534 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccc(SC(C)(C)C)cc1 175626903 MLWULXJRKYMSMB-LLVKDONJSA-N 291.420 3.858 30 20 CHED CCCCCCCC(=O)NCc1cc(C(C)C)no1 114308705 DYXLMQGNEREDQK-UHFFFAOYSA-N 266.385 3.775 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)s2)cc1F 113649933 NQFFLGROCVNGQD-UHFFFAOYSA-N 267.712 3.991 30 20 CHED C=CCCCC(=O)N(Cc1ccc(F)cc1)CC1CC1 175687083 LGGQKZLBNIRRQI-UHFFFAOYSA-N 275.367 3.921 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(C#N)c(F)c1)C(C)C 464642293 KCVZAVZTAUFMTM-CYBMUJFWSA-N 262.328 3.708 30 20 CHED COc1cccc(CCCNCC(C)(C)CCC#N)c1 174357307 SZZQCGHOKAAKST-UHFFFAOYSA-N 274.408 3.547 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(CCSC)cc1 170830325 IQVLQWSDJGJHGN-UHFFFAOYSA-N 290.432 3.798 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1cccc(C(F)F)c1 171119721 SGUCLGXTKRPUTP-GFCCVEGCSA-N 294.345 3.625 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 466477668 PJZINLOMQBJVFA-CYBMUJFWSA-N 260.356 3.709 30 20 CHED N#CCCCCN[C@H]1CCC[C@@H]1Cc1ccccc1 178646868 OGFAYZSIGPWEMN-SJORKVTESA-N 256.393 3.681 30 20 CHED C#CCCCNCc1cc(Cl)c(OCCC)c(OC)c1 174613882 QIBSFLCZKRKJDN-UHFFFAOYSA-N 295.810 3.640 30 20 CHED N#Cc1cc(Oc2ccc(Br)cc2)ccn1 61811535 BPXGSANADYKIKO-UHFFFAOYSA-N 275.105 3.508 30 20 CHED CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(C#N)cs1 177090081 POQQBZZAJHJMAC-CQSZACIVSA-N 299.399 3.628 30 20 CHED C=CCCCC(=O)Nc1cc(C)nn1Cc1ccccc1 175399596 PHRKFGRZCYWBMW-UHFFFAOYSA-N 283.375 3.535 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(OC)ccc2OC)c1 33472241 CCGBATDXWBHWKZ-CLFYSBASSA-N 298.338 3.609 30 20 CHED C=Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1 185287678 UAYUYKYDCYLDRP-MRXNPFEDSA-N 268.360 3.532 30 20 CHED C#CCCCCC(=O)N(Cc1c(F)cccc1F)C1CC1 189991628 RHMPOQWKWKFXNZ-UHFFFAOYSA-N 291.341 3.649 30 20 CHED Cc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 72678557 IAYDRXKPOHGXNS-UHFFFAOYSA-N 282.318 3.695 30 20 CHED N#Cc1cc(NC2CCOCC2)ccc1Oc1ccccc1 189947137 UFACDHHSDDIYHZ-UHFFFAOYSA-N 294.354 3.941 30 20 CHED COc1ccc(C#N)cc1NCc1cnc(C(C)C)s1 354860393 QBSKGYPITPSRAO-UHFFFAOYSA-N 287.388 3.759 30 20 CHED CCc1nc(C)c([C@@H](C)N(C)CCC(C)(C)C#N)s1 119940652 ZKZQUOCCHBFHRP-GFCCVEGCSA-N 279.453 3.947 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)CC1CCCCC1 229748086 SMVFYKYECPEXDK-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CCCN(CCCOc1ccc(C#N)cc1)CC(C)C 313546954 RGCBKRCJAVBFCG-UHFFFAOYSA-N 274.408 3.695 30 20 CHED CCC[C@@H](C)[C@@H](CC)NCc1ccc(OCC#N)cc1 180549863 AXBTYKXNZURYKV-RHSMWYFYSA-N 274.408 3.893 30 20 CHED C[C@H](NC(=O)CSc1ccccc1)c1cccc(C#N)c1 75276134 CITTUVOVEVZOAP-ZDUSSCGKSA-N 296.395 3.528 30 20 CHED CCOCc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 185745398 NAFKHZSWWJQORF-ZFWWWQNUSA-N 258.365 3.717 30 20 CHED N#CC1(C(=O)Oc2ccc3ccccc3c2)CCCC1 70807609 WFIRUSRFIIPJGS-UHFFFAOYSA-N 265.312 3.829 30 20 CHED N#Cc1ccc(Oc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 36784247 SIOLWICQBKJUMR-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](CC)C1 181390961 VKMLXSDRPDNMPS-KGLIPLIRSA-N 252.402 3.563 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)c1 128093410 BTMAAUCGTOOSSA-JXMROGBWSA-N 299.333 3.640 30 20 CHED N#CC1(NC(=O)c2cc(F)c(F)cc2Cl)CCCCC1 122144279 GFFBSGLHHZBUMW-UHFFFAOYSA-N 298.720 3.574 30 20 CHED C=CCN(CCc1ccccc1)Cc1cnc(C)s1 126237937 YYQHLNHUOZFGAJ-UHFFFAOYSA-N 272.417 3.682 30 20 CHED CCN(CC)c1ccc(Nc2cccc(F)c2C#N)cn1 506837599 KZOFAJGWWNNXLI-UHFFFAOYSA-N 284.338 3.682 30 20 CHED CCC[C@@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)C(C)C 434011012 GXFRMGNVTDWQCD-KGLIPLIRSA-N 264.413 3.599 30 20 CHED Cc1cc(C)c(C[S@](=O)CCCCC#N)c(C)c1 78716713 QOIZGABMZJGPNJ-SFHVURJKSA-N 263.406 3.554 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)ccc1C(C)=O 410698572 CYDQKOCZAOKXPY-UHFFFAOYSA-N 263.312 3.569 30 20 CHED COc1ccc(C#N)cc1CNc1cc(F)c(F)c(F)c1 129257317 DTVPADPPPRYDQU-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CCC[C@H](CC)NC(=O)Nc1ccccc1O[C@H](C)C#N 184334646 DRIVCJUBKRMDBH-OLZOCXBDSA-N 289.379 3.678 30 20 CHED CCN(C(=O)c1scnc1C(C)C)c1ccc(C#N)cc1 410522434 GSNUERYEMBDCSF-UHFFFAOYSA-N 299.399 3.805 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)cc1OC(F)F 185689453 IMVSZLJNQIFHGG-UHFFFAOYSA-N 285.265 3.559 30 20 CHED C#Cc1cccc(N(C(=O)c2ccc(F)cc2)C(C)C)c1 77293916 JFNQILRVOXRYMR-UHFFFAOYSA-N 281.330 3.862 30 20 CHED C[C@H]1CC(C(=O)N[C@H](C)c2ccc(C#N)cc2)C[C@H](C)C1 502735758 HOHOKLBHWJZVOO-MGPQQGTHSA-N 284.403 3.808 30 20 CHED N#CCCCC(=O)N1CCCc2c(Cl)cc(Cl)cc21 411105094 ZOFRISDSJYLTOS-UHFFFAOYSA-N 297.185 3.966 30 20 CHED C=CCOc1ccccc1C(=O)OCc1ccccc1OC 219715513 XBDCXXCZQFFJFU-UHFFFAOYSA-N 298.338 3.617 30 20 CHED COc1ccc(CSCCC#N)cc1Br 413017301 YRMRQECAAFIMQY-UHFFFAOYSA-N 286.194 3.605 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C)cc1SC 413914842 YWBVZLGTQVQZGO-UHFFFAOYSA-N 279.405 3.638 30 20 CHED C[C@H]1C[C@H](COc2ccc(C#N)c3ccccc23)CCO1 419055892 OWYZNCQROMMZCX-UONOGXRCSA-N 281.355 3.905 30 20 CHED COc1cccc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)c1 188872114 NDUVKOPAERXAQX-MDZDMXLPSA-N 298.386 3.851 30 20 CHED CC#CCCCC(=O)N[C@@H](C)C(C)(C)c1ccccc1 185660401 JHJLJXUQKNMZPW-HNNXBMFYSA-N 271.404 3.663 30 20 CHED Cc1nnc(SCC2(C#N)CC2)n1[C@H]1CCC[C@@H](C)C1 329505285 ZJXOBEGHIZINMH-YPMHNXCESA-N 290.436 3.734 30 20 CHED CCN(CCCCC#N)Cc1c[nH]c2ccccc12 190453241 IGNFBOCNWZJNMS-UHFFFAOYSA-N 255.365 3.684 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(O)=Nc1cccc(C2CCC2)c1 329607445 IKGHXLFQKYGANQ-ZBFHGGJFSA-N 283.375 3.781 30 20 CHED N#CCCSCc1ccc(OCc2cccnc2)cc1 413011796 JTQIKLFTRALQEN-UHFFFAOYSA-N 284.384 3.807 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2c(OC)cccc21 410977634 POTSZMLTRLTJQC-KRWDZBQOSA-N 273.376 3.577 30 20 CHED COC[C@H](NCCCC(C)(C)C#N)c1ccc(Cl)cc1 193688785 RHKJRVTXIICDOP-HNNXBMFYSA-N 294.826 3.947 30 20 CHED CC1(NCc2ccc(C#N)cc2)CCC(F)(F)CC1 612192041 MIRNZCBCKPBFCU-UHFFFAOYSA-N 264.319 3.616 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SC(C)C 48053452 SJIWBWZTTMEQPR-UHFFFAOYSA-N 273.405 3.555 30 20 CHED C=CCc1cc(CN(CC)[C@H](C)C(C)C)cc(OC)c1O 512231367 YKIWLWPFXYOKLB-CQSZACIVSA-N 291.435 3.996 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 84710596 OQRZOZUVEQXFHM-GFCCVEGCSA-N 282.343 3.506 30 20 CHED Cc1cc(C)cc(-c2ccc(CNCCC#N)cc2)c1 425987931 CYKWVWVVNFPTCU-UHFFFAOYSA-N 264.372 3.974 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@](C)(O)C1 177421536 LXCMPNLWWQPRGK-MRXNPFEDSA-N 269.429 3.501 30 20 CHED C[C@@H]1CCC[C@@H](C/C(O)=N/Cc2nc3cccnc3[nH]2)C1 328778207 TVCNYPKARGCLBH-VXGBXAGGSA-N 286.379 3.631 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)C1CCCCCC1 229748009 CECZUGDFZYGTQB-UHFFFAOYSA-N 260.356 3.852 30 20 CHED O=C(NCC#Cc1cccc(F)c1)[C@H]1C[C@@H]1C1CCCCC1 513218214 IDCFMUKPMJKGAX-MSOLQXFVSA-N 299.389 3.510 30 20 CHED N#Cc1c(N[C@H]2CCc3c(F)cccc32)ncc2c1CCC2 425216982 SXQDCMZFUVJJFX-KRWDZBQOSA-N 293.345 3.680 30 20 CHED CN(C(=O)N(CCC#N)CC(C)(C)C)c1ccc(F)cc1 190626039 WZEAXDOWTIYDNH-UHFFFAOYSA-N 291.370 3.644 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1CC1(C#N)CC1 421028222 WHZGPEAVZCIACC-OAHLLOKOSA-N 254.377 3.558 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCc3ccccc32)CC1 336229089 TYLGTWHFRCGJBP-KLHKWILBSA-N 268.404 3.778 30 20 CHED CC1(NC(O)=Nc2ccccc2OC(F)F)CCCC1 330568109 DDEDBGCGDAFXGH-UHFFFAOYSA-N 284.306 3.756 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)N[C@@H](C#N)CCC 92004788 VZQKSTAHOQQFNV-GFCCVEGCSA-N 294.782 3.551 30 20 CHED CC[C@H](CC(=O)N[C@@H]1CCC[C@H]1C#N)c1ccc(C)cc1 331086623 DHVUVICFTRYTQB-HYVNUMGLSA-N 284.403 3.687 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(CCC#N)CC2CC2)o1 93091447 RODZEJMUYLIJMK-SWLSCSKDSA-N 258.365 3.529 30 20 CHED C=C(C)[C@H](CC(=O)N1c2ccccc2CC[C@H]1C)OCC 339588525 ANLOACNCDHRAKG-PBHICJAKSA-N 287.403 3.726 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)CCc2ccc3ccccc3c2)C1 424975300 HPVQJUJBPPQYCJ-MAUKXSAKSA-N 292.382 3.581 30 20 CHED CCCCCCCCN1CCC[C@@H](C)[C@@H]1C(=O)O 232969340 SSLBMYNRNSKKQK-ZIAGYGMSSA-N 255.402 3.532 30 20 CHED C=CC(C)(C)CNC1CCC(NC(=O)OC(C)(C)C)CC1 384911136 DKWFAIVKNSWPKP-UHFFFAOYSA-N 296.455 3.624 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2C)C1 432281165 BYXPGECKQBEQQP-ZFWWWQNUSA-N 285.391 3.957 30 20 CHED CCN(CCCSCc1ccccc1)C[C@H](C)C#N 90523025 YJMHTNXGGCXLOR-OAHLLOKOSA-N 276.449 3.791 30 20 CHED C=CCC(C)(C)C(=O)NCC1CCC(F)(F)CC1 512886383 XYOQEDYNSAGHDX-UHFFFAOYSA-N 259.340 3.530 30 20 CHED Cc1ncsc1N=C(O)c1csc(CC(C)C)n1 331025441 WAFBQLYMLMMUQW-UHFFFAOYSA-N 281.406 3.743 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1cccc(SC)c1)OCC 339196584 BJPCAYBPOTUJCT-HNNXBMFYSA-N 293.432 3.743 30 20 CHED Cc1ccc(Cc2noc(-c3ccc(C#N)cc3)n2)cc1 230995920 VNUDIHFYCUCMDK-UHFFFAOYSA-N 275.311 3.508 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccc(Cl)cc2)o1 92399193 KPVLWNRGXDWVRQ-UHFFFAOYSA-N 274.751 3.945 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CC(c2ccc(C)cc2)C1 436313418 WVFXAXPATQDFLN-LWSMDNFKSA-N 285.431 3.812 30 20 CHED C[C@]1(c2ccccc2)CCN(c2c(C#N)cccc2C#N)C1 436399862 GSLHDOSSAVQWEC-IBGZPJMESA-N 287.366 3.598 30 20 CHED N#Cc1cccc(C(=O)Nc2cnccc2-c2ccccc2)c1 344216251 KZDBFLKNFGUWTL-UHFFFAOYSA-N 299.333 3.873 30 20 CHED Cc1ccc(C#N)c(NCCCCOc2ccc(F)cc2)n1 346827736 JSFOYKVPEBZFPF-UHFFFAOYSA-N 299.349 3.672 30 20 CHED CSc1ccccc1[C@@H](C)NC[C@H](C)CCC#N 602651502 ISCMYFNMMCNXRO-CHWSQXEVSA-N 262.422 3.999 30 20 CHED CC1(C#N)CCN(CCc2cccc(C(F)(F)F)c2)CC1 600147044 JLTJPEPFDAQYSK-UHFFFAOYSA-N 296.336 3.874 30 20 CHED CC1(C)CN(C(=O)c2cccc(CC#N)c2)CC(C)(C)C1 344938212 IVKKEOCWDOYBBW-UHFFFAOYSA-N 284.403 3.651 30 20 CHED C=CCN(C(=O)c1nc(C)sc1-c1ccccc1)C1CC1 347901473 KXKUUWMJWJAIGA-UHFFFAOYSA-N 298.411 3.909 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCc2c(C)cccc21 527487311 AXFOFKIALMNVBZ-RDJZCZTQSA-N 257.377 3.701 30 20 CHED C=CCN(c1ccccc1)S(=O)(=O)CC1CCCCC1 524709990 RLAFYOPCVXSLFT-UHFFFAOYSA-N 293.432 3.589 30 20 CHED Cc1ccc(C(=O)Nc2scc(C)c2C#N)c(C)c1 344932282 VNAXFTMGJDZALQ-UHFFFAOYSA-N 270.357 3.797 30 20 CHED CCN(CC)C[C@H](C)Nc1ccc(C#N)cc1C(F)(F)F 524848640 IEYFINIMVGNMDL-NSHDSACASA-N 299.340 3.719 30 20 CHED COC1CC(SCc2ccc(C#N)cc2OC(F)F)C1 600629115 QUFUOWZZRXTMPO-UHFFFAOYSA-N 299.342 3.570 30 20 CHED C=CC[C@H]1N(C(=O)c2coc(C)c2)CCCC1(C)C 347465169 JVIPEERAIQIZDJ-CQSZACIVSA-N 261.365 3.795 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(F)cccc1Cl 435742649 WLYPDNSJHUEPOT-ABAIWWIYSA-N 283.774 3.550 30 20 CHED C=CCCON=C(C)c1nc2ccccc2n1C(F)F 255223295 JCMKAPVRBMFHSD-UHFFFAOYSA-N 279.290 3.748 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cccs1 254979831 AQRLZOJYQDEKHI-ARJAWSKDSA-N 266.268 3.628 30 20 CHED CCC[C@H](C#N)NC(=O)C1=C(c2ccccc2)CCCC1 520752695 CCVUMNMDDYDPCJ-OAHLLOKOSA-N 282.387 3.823 30 20 CHED C=CCN(C(=O)c1cccc(Cl)c1F)C(C)(C)C 622944425 RBBDMYLANYNZFC-UHFFFAOYSA-N 269.747 3.906 30 20 CHED COc1ccc(/C=C\C(=O)c2ccsc2)cc1C#N 255070077 REDXEOGMXCQWDT-RQOWECAXSA-N 269.325 3.524 30 20 CHED C=C(CC)CN[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 449733686 JHJAXCOXVDDZLJ-ZIAGYGMSSA-N 277.408 3.752 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H](c1ccccc1)C(C)C 448964905 GPQRIHDDEBJVAR-KRWDZBQOSA-N 295.386 3.664 30 20 CHED C=CC[C@@H](C)NC(=O)NCCCCCc1ccccc1 604897775 FCVBMSRNURNCGM-OAHLLOKOSA-N 274.408 3.663 30 20 CHED C[C@H](c1ccccc1)N(CCCSCC#N)C1CC1 352828441 DJXMETXJVPATSF-CQSZACIVSA-N 274.433 3.859 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc3cc[nH]c3n2)CCCC1(C)C 444640470 DBJWCSRMCYPUJY-HNNXBMFYSA-N 297.402 3.770 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)cc(Cl)c2O)CC1 356790326 YQTXFDMKIXNERV-UHFFFAOYSA-N 283.730 3.870 30 20 CHED C=CCC1(C(=O)N2CC[C@H](Nc3ccccc3)C2)CCCC1 449835009 NEEYVQJGVRIQDI-KRWDZBQOSA-N 298.430 3.836 30 20 CHED N#Cc1cc(F)cc(NCc2ccc(OC(F)F)cc2)c1 600857843 IPTFNGXTRQSXNZ-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=CCCOCCNC(=O)N(CCC)CC1CCCCC1 533866750 KKIBMLQEBROVDU-UHFFFAOYSA-N 296.455 3.581 30 20 CHED CCc1ccc(CCNC2CCC(C)(C#N)CC2)cc1 449163767 WWIYLELHWJANKL-UHFFFAOYSA-N 270.420 3.854 30 20 CHED Cc1cccc(F)c1NC(=O)NCC(C)(C)CCC#N 350831514 DDFXKTZGBFDAGB-UHFFFAOYSA-N 277.343 3.586 30 20 CHED C[C@@H](CCC#N)CNCCCn1ccc2ccccc21 602505413 CULIQRHATXRTFJ-HNNXBMFYSA-N 269.392 3.561 30 20 CHED CC[C@@H](C)c1noc(-c2cccc(SCC#N)c2)n1 355895237 RPEOSRUGKHHEAO-SNVBAGLBSA-N 273.361 3.866 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)C2 263633958 CDXGXNYAPRJKQL-NTEUORMPSA-N 279.295 3.726 30 20 CHED CCN(CCC1CC1)C(=O)c1ccc(C(C)(C)C#N)cc1 356836852 SOCDOHKLXVWZAY-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C=CCC[C@H](CCC)Nc1cccc(N2CCC2=O)c1 448265704 ZLJQFYGEXKJJKT-AWEZNQCLSA-N 272.392 3.970 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2ccccc2Cl)no1 264621301 QSKPJNHLYZFTDR-LLVKDONJSA-N 292.766 3.968 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1F 448893043 GVMFDPZTFUNIBS-UHFFFAOYSA-N 275.245 3.995 30 20 CHED CC[C@H](c1ccccc1)N(CC)c1cccc(C#N)n1 533685552 BRCVTKRLHJDOIN-MRXNPFEDSA-N 265.360 3.931 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1CCC[C@H]1c1ccccc1 449888441 NQMZLKACBDQLDB-BPUTZDHNSA-N 257.377 3.651 30 20 CHED CC(C)(C#N)c1ccccc1CSc1cnccn1 532634536 UWQHEWJXEMAXQB-UHFFFAOYSA-N 269.373 3.570 30 20 CHED Clc1cccc(C#CCNc2cccc3c2OCCO3)c1 533953299 DMHGJXWKQJOHST-UHFFFAOYSA-N 299.757 3.575 30 20 CHED C=CC(C)(C)CN[C@H](C)CC(=O)Nc1cccc(C)c1C 449487372 YLJCCMVKHJOQIL-CQSZACIVSA-N 288.435 3.822 30 20 CHED Cc1cc(CN(CCC#N)CCC(C)C)cs1 449023838 VIODYDKCBFLKAY-UHFFFAOYSA-N 250.411 3.818 30 20 CHED N#C[C@]1(F)CCN(Cc2csc(C3CCCCC3)n2)C1 615643123 AAYYUSQXXPBNOI-OAHLLOKOSA-N 293.411 3.628 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 450363319 UUJUSXOEHPLPAA-PJIJBLCYSA-N 296.414 3.508 30 20 CHED CN(C(=O)c1cc2occc2s1)c1ccccc1C#N 611072045 KNPMPPFMANQYHX-UHFFFAOYSA-N 282.324 3.643 30 20 CHED CCSc1cccc(-c2noc([C@@]3(C#N)C[C@@H]3C)n2)c1 453180642 BEXGQDUGCJHULF-ZUZCIYMTSA-N 285.372 3.650 30 20 CHED C=CCC1(C(=O)N(CCC)CC(C)(C)O)CCCCC1 450083740 GYVSPSPXPJXKRR-UHFFFAOYSA-N 281.440 3.523 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cccc(N(C)C)c2)n1 610165532 GHODFUBEOKQXEG-UHFFFAOYSA-N 297.427 3.928 30 20 CHED C=C(C)CCN[C@@H](c1ccc(Cl)cc1)c1nccn1C 453313967 HYXRFCNEIYYNEG-HNNXBMFYSA-N 289.810 3.719 30 20 CHED CC(C)CC[C@@H](O)CN(Cc1ccc(C#N)cc1)C(C)C 361268351 VMHLDPGEWMJLRU-GOSISDBHSA-N 288.435 3.566 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCCc1ccc2ccccc2c1 539395359 OAKNIQOSSPJIBL-IBGZPJMESA-N 294.398 3.971 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@H]1C[C@H]2CC[C@H]1O2 450216345 PXDWLDHOUKFKJZ-YRGRVCCFSA-N 297.851 3.957 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(F)cc1C 451968649 JEALJNPKPJRTKM-RDJZCZTQSA-N 277.383 3.598 30 20 CHED C=CCCCCCN(C)Cc1c(F)cccc1[N+](=O)[O-] 610079906 QBHBVDOJJDWJLX-UHFFFAOYSA-N 280.343 3.912 30 20 CHED Cc1noc(C2CC2)c1NC(=O)Nc1cccc(CC#N)c1 455902992 HUIXSORNHCPJDX-UHFFFAOYSA-N 296.330 3.571 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H](C)c1sc(C)nc1C 274455052 AWBXMTDXRUJTGS-LBPRGKRZSA-N 295.452 3.819 30 20 CHED N#Cc1ccnc(N[C@@H]2CCCc3c(F)cc(F)cc32)c1 450556566 MPWYAMNLCKMSPU-OAHLLOKOSA-N 285.297 3.721 30 20 CHED C=CCCNC(=O)C/C=C\c1ccc(C(C)C)cc1 617616702 DNFJDOZYJNMVBR-SREVYHEPSA-N 257.377 3.906 30 20 CHED C=CCCCC[C@H](C)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 453298003 ZTLVOSAODBTXBQ-HOTGVXAUSA-N 294.483 3.735 30 20 CHED C=C(CC)CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 456809150 ARBLTVLQGTYESW-QWRGUYRKSA-N 281.758 3.665 30 20 CHED C=CCC[C@H](c1ccccc1)N1C(=O)N2CCC[C@@]2(C)C1=O 272142431 LRMOUJFZNXFWFP-QAPCUYQASA-N 298.386 3.511 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 540646539 JSWAFHVIIBLTEH-CHWSQXEVSA-N 270.376 3.862 30 20 CHED C[C@@H](NC(=O)N1CCC(CC#N)CC1)[C@H](C)c1ccccc1 540996214 ZYMHLECVOHUGPG-LSDHHAIUSA-N 299.418 3.514 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCN1CC(F)F)c1ccco1 624096581 CSFCFZVWHHJRAM-KBPBESRZSA-N 298.377 3.606 30 20 CHED C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@H]2CCCC[C@H]12 543901861 IKHCNGUECZHWTP-OLMNPRSZSA-N 271.379 3.688 30 20 CHED N#Cc1c(N[C@@H]2CC[C@H]3CCC[C@H]3C2)nc2ccccn12 542974044 AYCOHWZAHSTHLB-HZSPNIEDSA-N 280.375 3.587 30 20 CHED N#CCOc1ccc(CNC2(c3cccc(F)c3)CC2)cc1 271843092 WEZLFGVXNQXSDF-UHFFFAOYSA-N 296.345 3.507 30 20 CHED C=C(CC)CNC(=O)Cc1cc(Cl)ccc1Cl 456829207 NTMSADBLXIGYBJ-UHFFFAOYSA-N 272.175 3.618 30 20 CHED CC[C@H]1CN(C(=O)NCCCC#N)CC[C@@H]1c1ccccc1 273435365 BGVCSZIHKWOBPN-RDJZCZTQSA-N 299.418 3.515 30 20 CHED CN(CCc1cccc2ccccc12)C(=O)CC(C)(C)C#N 278337596 XSPPSZZJAIWZLQ-UHFFFAOYSA-N 294.398 3.781 30 20 CHED CCCOc1c(Cl)cc(CNCCCC#N)cc1OC 273103736 WBLFJBYXOKPJKS-UHFFFAOYSA-N 296.798 3.531 30 20 CHED C[C@H](NCc1ncc(C(C)(C)C)o1)c1ccc(C#N)cc1 271706037 UVYMARUBXVBTFQ-LBPRGKRZSA-N 283.375 3.695 30 20 CHED CCCC[C@@H](C)C(=O)N[C@@](C)(C#N)C1CCCCC1 548828508 GKOXQEDLOXHCEC-CJNGLKHVSA-N 264.413 3.791 30 20 CHED C=CCCOCCCCC(=O)N1CCC(C(C)C)CC1 540499779 KWHMRUYXGDEYCS-UHFFFAOYSA-N 281.440 3.644 30 20 CHED C=CCCCCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 469790623 KRRKDJMKMLNHTA-KGLIPLIRSA-N 279.330 3.508 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(Cl)s2)no1)OCC 277908862 MEUCSRZVPHCCGT-VIFPVBQESA-N 298.795 3.975 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc2cnccc12)OCC 270404862 HQJCQTAKTGTZOY-INIZCTEOSA-N 284.359 3.545 30 20 CHED N#C[C@H](NC(=O)C12CCC(CC1)C2)c1ccc(Cl)cc1 543128996 HLZBHQQTLAJRKS-WMEQCIOUSA-N 288.778 3.601 30 20 CHED CSc1cccc(F)c1CN[C@@H]1CCC[C@@H](C#N)C1 287551337 PSWQMNWPOWVWNF-VXGBXAGGSA-N 278.396 3.720 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(COC2CCCC2)cc1 465250138 GAZFKJMZJKAHIG-CYBMUJFWSA-N 288.391 3.842 30 20 CHED CC#CCSCc1coc(-c2ccc(C)cc2)n1 464095432 NXSWUUQCESSZHR-UHFFFAOYSA-N 257.358 3.907 30 20 CHED CC#CCCCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 466861989 IEOPWRBQEMGWLN-UHFFFAOYSA-N 294.276 3.709 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CC)C(C)(C)c1ccccc1 465288575 ZAWHGHDEVBJBHD-DZGCQCFKSA-N 274.408 3.617 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 281216119 CSTWYNODFCSOES-HOCLYGCPSA-N 290.382 3.679 30 20 CHED N#CC[C@H](CC(=O)N1CCC2(CCCC2)C1)c1ccccc1 376506273 PFOAOTJJYBITQP-QGZVFWFLSA-N 296.414 3.867 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@@H]2c2ccccc2)CC1 468368733 WJJYXXLOJDAVEF-UXHICEINSA-N 298.474 3.953 30 20 CHED C[C@H](CCc1ccccc1F)NCCc1cccc(C#N)c1 467440324 RJJQHSRPXCJJOB-OAHLLOKOSA-N 296.389 3.851 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ncc(Br)s1 281688643 RXMMHXWBKKSIDN-DTWKUNHWSA-N 289.242 3.911 30 20 CHED CCCc1nsc(Sc2ccc(C#N)cc2)n1 461769250 RMUQDFIZTASMFE-UHFFFAOYSA-N 261.375 3.513 30 20 CHED COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1O 289849066 RANYWXRWRLWRRY-QWHCGFSZSA-N 296.370 3.684 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1nnc(C)c(C)c1C#N 553583004 GQNVCHDSWJXKHX-JLHYYAGUSA-N 292.386 3.505 30 20 CHED C=CCC[C@H](NC[C@H](C)N1CCC[C@H](C)C1)c1ccco1 552224215 OBZBRNVVIPIJBG-ULQDDVLXSA-N 290.451 3.997 30 20 CHED CC(C)(CCN1CCCCCC1)NCc1ccc(C#N)cc1 479606710 ZSXIWBPGRVMGMU-UHFFFAOYSA-N 299.462 3.693 30 20 CHED C=C(C)COc1cccc(N[C@H](C)[C@@H]2CCCOC2)c1 474383739 FCMQNDJZCDGOBN-HUUCEWRRSA-N 275.392 3.869 30 20 CHED N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)C2)s1 552061437 LILVWNDNZHIKHB-OAHLLOKOSA-N 282.412 3.999 30 20 CHED C#CCCCCCC(=O)OC[C@@H](OC)c1ccccc1 801855785 CAUCGMZIDWBAQE-MRXNPFEDSA-N 274.360 3.501 30 20 CHED N#CCCN1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 298609021 TUDNUXLCWQAEQB-INIZCTEOSA-N 298.365 3.656 30 20 CHED C#CCCOc1ccc(CNCC(C)(C)CCC#N)cc1 808430791 ZJAPSKAULGONMN-UHFFFAOYSA-N 284.403 3.508 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 294460014 SAWLFYXQGDRTTL-IRXDYDNUSA-N 284.403 3.733 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H]2c3ccccc3O[C@H]2C)c1 809145282 ZJZMXMSXJDPJRQ-ZIHNTUSZSA-N 297.354 3.732 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@H](SC)C1)c1ccccc1 295594884 RQCIOPMOWOJPOT-JKSUJKDBSA-N 289.444 3.700 30 20 CHED CC(=NN[C@@H]1CCSC1)c1cccc(C(F)(F)F)c1 808004247 JONJIBMILPHABF-GFCCVEGCSA-N 288.338 3.525 30 20 CHED Cc1nc(N[C@H]2CCO[C@@H](c3ccccc3)C2)ccc1C#N 291943220 MZBRPNIJVAKDMO-DLBZAZTESA-N 293.370 3.594 30 20 CHED C=CC1CCN(Cc2cc(O)cc(C(F)(F)F)c2)CC1 568338430 IMMBEGYBVZFRBY-UHFFFAOYSA-N 285.309 3.809 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)[C@@H]1c1ccncc1 294078826 YWEAPYWABKNLTP-QGZVFWFLSA-N 295.361 3.675 30 20 CHED C[C@H]1CN(CCOc2ccc(C#N)cc2)c2ccccc21 398505259 NUAGLEJZZBDPBH-AWEZNQCLSA-N 278.355 3.561 30 20 CHED CC1(C)CCc2ccccc2[C@H]1NC(=O)CCCC#N 291981902 UVADNCFPXDYHJV-MRXNPFEDSA-N 270.376 3.510 30 20 CHED C=CCCO[C@H](C)c1nc(C2(COC)CCCCC2)no1 290042464 GZNBEZFDYKEHRM-CYBMUJFWSA-N 294.395 3.572 30 20 CHED Cc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1F 294544685 JQXKNOZQSXIJNE-INIZCTEOSA-N 272.323 3.547 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn(C2CCCC2)c1C 292570488 XWYLXPDKFWHVDL-UHFFFAOYSA-N 275.396 3.847 30 20 CHED C#Cc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 809664635 JRSYTFVSSQUWCG-UHFFFAOYSA-N 281.321 3.832 30 20 CHED CC(C)(C)c1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 563388520 WRGHEGZKVKOPMX-HNNXBMFYSA-N 278.355 3.869 30 20 CHED C=CCCCCCCNC(=O)C[C@](C)(O)c1ccccc1 805220668 DKZCWAMRONYKLK-SFHVURJKSA-N 289.419 3.537 30 20 CHED C#CCCCCCC(=O)Nc1ccc(F)c(CC)c1 803446674 TWJCYJUXNUEAOP-UHFFFAOYSA-N 261.340 3.910 30 20 CHED CC(C)(C)CCCC(=O)OCCCC1(C#N)CCOCC1 800162839 PIVZYUBAPQNUIO-UHFFFAOYSA-N 295.423 3.847 30 20 CHED C#C[C@H](CC)NC(=O)Nc1c(CC)ccc(Cl)c1CC 806136544 ZAZIVXGZSSZJCX-GFCCVEGCSA-N 292.810 3.998 30 20 CHED C[C@H](NC[C@H]1CCOC[C@H]1C)c1ccc(C#N)cc1Cl 568064810 QYDULJSRJCUCTK-MBNYWOFBSA-N 292.810 3.535 30 20 CHED N#CCCCCNC(=O)c1cc2cccc(Cl)c2s1 563162608 BDDXRDBSIDFKGK-UHFFFAOYSA-N 292.791 3.978 30 20 CHED C#CCOc1ccc(NC(=O)N(C)[C@H](C)CCCC)cc1 810184343 OXUNFVAUGQORSA-CQSZACIVSA-N 288.391 3.741 30 20 CHED C=CCN(C)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 488477305 NLTJWVQEAFTZBB-CQSZACIVSA-N 286.419 3.669 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)CN(C)c3ccccc32)CCC1 485555882 QFTFCAWIZCDPMA-OAHLLOKOSA-N 298.430 3.852 30 20 CHED N#Cc1c(F)ccc(C=NOCCC2CC2)c1Cl 814245492 UUUXCXDCKSBLGP-UHFFFAOYSA-N 266.703 3.501 30 20 CHED C=CCCCCCCCNC(=O)c1ncoc1C1CC1 816746734 LOFBNHXWPNMAFR-UHFFFAOYSA-N 276.380 3.808 30 20 CHED CCC(=NNc1cccc2cnccc12)c1ccc(F)cn1 814836182 KQYQERCXKWYKRN-UHFFFAOYSA-N 294.333 3.995 30 20 CHED Cc1ccc(CCC(=O)Oc2ccc(C#N)c(C)c2)s1 813234186 LJSNHXXNAVFSSJ-UHFFFAOYSA-N 285.368 3.775 30 20 CHED C#CCC1(C(=O)N(C)[C@H](C)CCCC)CCCCC1 811960691 YNADJVWXVRKBAF-OAHLLOKOSA-N 263.425 3.997 30 20 CHED Cc1cccc(CC(=O)Nc2cccc(C#N)c2)c1Cl 486040375 YOZDZPIPAYVYFX-UHFFFAOYSA-N 284.746 3.701 30 20 CHED N#Cc1ccc(/C=C2/Oc3cccc(Cl)c3C2=O)cc1 811697874 NTEQHDWMSNNZKM-RIYZIHGNSA-N 281.698 3.828 30 20 CHED Cc1sccc1C=NNc1ccc(C(F)(F)F)cn1 814711369 HKAPBJJTVBZGBQ-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)[C@@H]1CC[C@@H](C)C1 571961907 RRUXYQHVHGFIBI-UKRRQHHQSA-N 288.439 3.747 30 20 CHED COc1c(C)cc(C(C)=NOCCOC(C)C)cc1Cl 812239375 UKXDQKHBLMBNEI-UHFFFAOYSA-N 299.798 3.823 30 20 CHED C[C@](C#N)(NC(=O)c1ccnc(C2CC2)c1)C1CCCCC1 575156259 MXUBXIBZNPXHAQ-GOSISDBHSA-N 297.402 3.551 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1NCCCC 489178311 KWGRVPSOCGEAHL-CYBMUJFWSA-N 260.381 3.593 30 20 CHED C=C(C)CCc1noc(Cc2cccc(Cl)c2F)n1 576673877 HPLJMXPUAZRKJZ-UHFFFAOYSA-N 280.730 3.962 30 20 CHED C#CCON=C1CCCc2cc(SC(F)F)ccc21 812233549 ZHLMOHCVRMHTTA-UHFFFAOYSA-N 281.327 3.692 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)Nc1ncn(C)n1 817153443 NDNNTGRUHUFPON-CYBMUJFWSA-N 280.416 3.530 30 20 CHED Cc1cc(C=NOC/C=C\Cl)c(C)n1Cc1ccco1 811670843 FZQCAHBCZXGZNM-MWUFWLBXSA-N 292.766 3.849 30 20 CHED Cc1ccc(F)c(CN(C)CCOc2ccccc2C#N)c1 570173387 GLPSPFUNNSYIRK-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C=C(CC)CNC(=O)Nc1ccc2c(cnn2C(F)F)c1 652746525 PQKKTMYKXHGRJS-UHFFFAOYSA-N 294.305 3.519 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 488591977 QZEBZQSSYROYNQ-CQSZACIVSA-N 280.799 3.912 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N2CC(C)(C#N)C2)cc1 482596875 HXBGMCMNQAGPRB-CQSZACIVSA-N 284.403 3.676 30 20 CHED N#CCCOCCN(c1ccsc1)C1CCCCC1 815104900 YARYYFPHTAHYLY-UHFFFAOYSA-N 278.421 3.817 30 20 CHED Oc1cccc(/C=N\Cc2ccc3sccc3c2)c1O 811624551 ILFXULDIBNZOBA-YVLHZVERSA-N 283.352 3.932 30 20 CHED C#C[C@H](Nc1nc(C2CC2)ns1)c1ccc(Cl)cc1 811861724 MOGHHIJCBNWTOW-LBPRGKRZSA-N 289.791 3.855 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(OCC)c1 488403952 ZAUXJDAUCKHQAB-AWEZNQCLSA-N 274.364 3.658 30 20 CHED N#C[C@]1(C(=O)Nc2cccc3ccncc23)CC12CCCC2 575636791 VTZDIVBPJIOJDY-SFHVURJKSA-N 291.354 3.647 30 20 CHED CCc1nocc1CSCc1cc(C#N)ccc1OC 575002712 VAEDLTOGVXDKKH-UHFFFAOYSA-N 288.372 3.551 30 20 CHED N#Cc1c(F)cccc1Nc1ccn(-c2ccccc2)n1 727757724 XETXEVYUMNICEK-UHFFFAOYSA-N 278.290 3.627 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)cn1 728811764 JGMCUXQJASWBGJ-KRWDZBQOSA-N 292.382 3.580 30 20 CHED CCN(CC(C)C)C(=S)Nc1ccc(C#N)c(Cl)c1 726459596 NOHDMAFEKINEEZ-UHFFFAOYSA-N 295.839 3.886 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC(C)(C)C2CCC2)cc1 824789750 GHLUPHDWIGSAGZ-AWEZNQCLSA-N 286.419 3.893 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@@H]2CCCC[C@@H]2C)no1 576731941 OBXOSBCHXBMWOD-GXFFZTMASA-N 282.347 3.605 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 726909157 XZMXISIAJICVNP-VGWMRTNUSA-N 292.492 3.728 30 20 CHED CC(=NOCc1ccccc1)c1ccc(C)c(C)c1O 728157134 VLCOSLXKRCKXHV-UHFFFAOYSA-N 269.344 3.950 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@H]3C[C@@H]3C2)c1 665955855 DUWLQDBMPXCWEA-UONOGXRCSA-N 286.375 3.515 30 20 CHED C[C@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)Cc2ccccc21 822219770 QIDGIWCAKPXFCM-IFXJQAMLSA-N 294.398 3.606 30 20 CHED C=CC[C@H](C)NC(=O)NCc1cccc(SCC)c1 494587269 PVYZNFPQPYMELU-LBPRGKRZSA-N 278.421 3.562 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H]1CCO[C@@H]1c1ccccc1 820639076 WODQWPMYZGDJOG-JKSUJKDBSA-N 288.387 3.910 30 20 CHED Clc1ccc(C=NNC2CCCC2)c(Cl)c1 727652650 OHKRBBMABLRBDV-UHFFFAOYSA-N 257.164 3.860 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)cc1 497957843 ZIDQKYSNWSIWHT-GRDNDAEWSA-N 287.403 3.806 30 20 CHED CC(C)CC[C@H](NC(=O)NCC(C)(C)C#N)C(C)(C)C 497608282 HJXJYDZWXSJBFC-ZDUSSCGKSA-N 281.444 3.686 30 20 CHED Cc1cc(Cl)cc(C)c1/C=C\C(=O)c1cnccn1 588386683 WQYRZAHLWIVUIK-ARJAWSKDSA-N 272.735 3.643 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C(=O)CC)cc1 490041984 UIMGGKWXBKJQAY-UHFFFAOYSA-N 273.376 3.611 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC[C@@H](C#N)CCC#N 581483470 OWLWAGLQVVAQCI-HIFRSBDPSA-N 285.391 3.635 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1c1c(C)cccc1C 660881761 OLHPHNCDBNKRDB-HUUCEWRRSA-N 272.392 3.724 30 20 CHED Fc1cc(Cl)ccc1NN=C1CC(C(F)F)C1 901318531 UZLSJKZGUDARPB-UHFFFAOYSA-N 262.662 3.922 30 20 CHED C[C@H](CCc1ccccc1)CN1CCC(CC#N)CC1 583832082 PKUUIDQVRUKPOL-MRXNPFEDSA-N 270.420 3.881 30 20 CHED C=CCC1(NC(=O)c2cccc3c2CCOC3)CCCCC1 821796203 FVSSXCWSWFMVKA-UHFFFAOYSA-N 299.414 3.768 30 20 CHED CC(C)(CNC(=O)CCCCCC#N)c1ccccc1 588153339 CJOXCVOSPZEAHB-UHFFFAOYSA-N 272.392 3.554 30 20 CHED CC(C)CN(Cc1ccc(CO)cc1)c1ccc(C#N)cc1 490004042 KTVOVSZICPLUIQ-UHFFFAOYSA-N 294.398 3.713 30 20 CHED C=CC[C@@H](NC(=O)[C@H]1CCCCC1(F)F)c1ccncc1 825859696 VZEKWXBKUBTITN-ZIAGYGMSSA-N 294.345 3.641 30 20 CHED C=CCCNC(=O)Nc1ccccc1CCC(F)(F)F 666315851 MODZFGOSTCNYTF-UHFFFAOYSA-N 286.297 3.879 30 20 CHED N#Cc1ccccc1COC(=O)c1cc2cc(F)ccc2o1 735549672 WCJLIWDPYIRDJE-UHFFFAOYSA-N 295.269 3.801 30 20 CHED C=CCn1c(SCCC(C)C)nc2sccc2c1=O 494070908 CVRONMHWZQSAQT-UHFFFAOYSA-N 294.445 3.782 30 20 CHED C=CCCCOC(=O)CCc1ccc2ccccc2n1 735531968 LBJRXZQPQOMZHY-UHFFFAOYSA-N 269.344 3.677 30 20 CHED CC(C)c1occc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839059406 PIRJCWGBQSZJMK-NEPJUHHUSA-N 261.321 3.642 30 20 CHED Cc1cc(C)c(NN=C2C[C@H](C)n3ccnc32)c(C)c1 834960239 JKLARLVNRWAUAS-ZDUSSCGKSA-N 268.364 3.589 30 20 CHED C=CCC[C@H](NCc1ccc2c(c1)ncn2C)c1ccco1 903202346 AOCOSUPVJJHVGC-HNNXBMFYSA-N 295.386 3.963 30 20 CHED C=C(Cl)C[C@H](NCc1cc(C(C)(C)C)oc1C)C(=O)O 900043414 SVYGBGNXBPACQK-LBPRGKRZSA-N 299.798 3.571 30 20 CHED C[C@H](C=NOC/C=C/Cl)c1cc(F)cc(F)c1 834978517 HPVXCNALEDKNLE-GRPJCJOZSA-N 259.683 3.823 30 20 CHED C=CCCOC(=O)[C@H](CC)Sc1ccccc1 732497330 MVSBMMHEXVKKMS-ZDUSSCGKSA-N 250.363 3.677 30 20 CHED C[C@H](NN=C1CC[C@@H](Cc2ccccc2)C1)C(F)(F)F 834998413 HASARMPFTBTCCZ-AAEUAGOBSA-N 284.325 3.926 30 20 CHED CC(C)c1ccc(CCN[C@H]2CC[C@H](C#N)C2)cc1 580507964 ACLJZKQQCVZYGC-RDJZCZTQSA-N 256.393 3.634 30 20 CHED C[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1F 839048402 DEIUWLGFRBSDNB-XQQFMLRXSA-N 275.323 3.555 30 20 CHED C=C(CNC(=O)[C@H](C)SCCCC)c1ccccc1 588172464 OBPOMYNXMCHMTP-AWEZNQCLSA-N 277.433 3.738 30 20 CHED O=C(Nc1ccccc1)c1cccc(CON=C2CCC2)c1 735489830 GDYUGURCWXOCDR-UHFFFAOYSA-N 294.354 3.995 30 20 CHED Cc1ccc(C(=O)OC[C@@]2(C)CC2(Cl)Cl)cc1C#N 837704293 QRSRDHNYQALNBJ-CYBMUJFWSA-N 298.169 3.607 30 20 CHED C[C@H](Nc1ccc(N(C)C(=O)O)cc1)c1cccc(C#N)c1 833526861 WJLRRIOKCNSJRM-LBPRGKRZSA-N 295.342 3.846 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1N[C@@H]1CC[C@H](C#N)C1 591659769 GFVKTOINOUITLI-CXUGXGMPSA-N 254.377 3.592 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@]1(C)CCc2ccccc21 592610453 CAGPVWYIKOSNOZ-LJQANCHMSA-N 290.366 3.709 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc3cccc(C)n23)ccc1O 749000032 ZXXRGAYYZGSNRL-VQHVLOKHSA-N 292.338 3.553 30 20 CHED C=C1CCN(C(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)CC1 591091474 IVPRHIGTBVPTRS-ZFWWWQNUSA-N 273.376 3.514 30 20 CHED Cc1ccc(/C=C2\Oc3ccccc3C2=O)cc1F 742438120 YWAPETAKJAEUGH-DHDCSXOGSA-N 254.260 3.750 30 20 CHED N#Cc1c(NC(=O)C2CC3(CC3)C2)sc2c1CCCC2 598801380 YSERJGPFLHINLD-UHFFFAOYSA-N 286.400 3.627 30 20 CHED N#Cc1ccccc1/C=C/C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 915733508 GHJCWEYQKYRJLX-NKMAWLCSSA-N 294.398 3.514 30 20 CHED N#C[C@@H](C(=O)CC1CCC1)c1nc2cc(F)ccc2s1 744117854 CMQHKDOZBKAIFO-NSHDSACASA-N 288.347 3.802 30 20 CHED C=CCC[C@H](NC[C@@H]1OCCc2ccccc21)C1CC1 678585305 ACYJFVWAODOQKV-ROUUACIJSA-N 271.404 3.635 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(CCC(F)(F)F)c1 593516903 PQMJTSCJXHIRTN-NSHDSACASA-N 284.281 3.670 30 20 CHED CCN(C[C@H](C)C#N)C(=O)/C=C(/C)c1cccc(Cl)c1 749914532 ZWNGPOBAHKJQSJ-YFBAIUBQSA-N 290.794 3.751 30 20 CHED CC1CCC(=NNc2nc3cc(F)c(F)cc3[nH]2)CC1 912817679 BGEGPNWKUJUSDR-UHFFFAOYSA-N 278.306 3.819 30 20 CHED C=CCC1(NC(=O)Nc2cc(C#N)ccc2C)CCCC1 596706734 GBJMZXAMUJBRPL-UHFFFAOYSA-N 283.375 3.877 30 20 CHED CCc1nnc([C@@H](C)ON=C(C)c2cc3ccccc3o2)o1 742352393 PYSLDXDOEBYCJQ-LLVKDONJSA-N 299.330 3.880 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCSc2ccccc21)c1ccccn1 744026025 RKCJTHAJQRZVLT-KGLIPLIRSA-N 294.379 3.537 30 20 CHED CCc1nnc(N2Cc3ccccc3[C@@H]2C)c(C#N)c1CC 598646095 KNGUJSYHDOBAKD-LBPRGKRZSA-N 292.386 3.554 30 20 CHED COCc1cccc(C=NNc2ccc(Cl)cc2)c1 743418276 CGTDLTDKZFKYLL-UHFFFAOYSA-N 274.751 3.932 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)/C=C\c1ccccc1C#N 914490688 DKOUJEAMAGWTQQ-MCZKDORBSA-N 282.387 3.512 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)c1ccccc1C(F)(F)F 679204629 MMRZWAUVURVRKP-NSHDSACASA-N 285.309 3.843 30 20 CHED Cc1nn(C)c(C)c1C=NNc1cccc2ccccc12 747060435 QVXNCDPUOISDEC-UHFFFAOYSA-N 278.359 3.636 30 20 CHED CC[C@@H](CC#N)N[C@H](CC)Cc1ccc(Cl)cc1 597086974 QANIABFDMHAXMO-LSDHHAIUSA-N 264.800 3.943 30 20 CHED C[C@H](C#N)N(Cc1ccccc1Oc1cccnc1)C1CC1 595721905 XHUQEFWMIZPASZ-CQSZACIVSA-N 293.370 3.750 30 20 CHED Fc1ccc(NN=C2CCc3ccccc3C2)c(F)c1 745843977 ZBUAIYFWOYVNPC-UHFFFAOYSA-N 272.298 3.922 30 20 CHED CC[C@@H](C(=O)Nc1nc(C)cc(C)c1C#N)c1ccccc1 598856803 RUKFVAAKQBQKFZ-OAHLLOKOSA-N 293.370 3.702 30 20 CHED C#CCN(C(=O)N[C@@H](C)C1CCCCC1)C1CCCCC1 745839230 UMRQJZFLFNQVIB-HNNXBMFYSA-N 290.451 3.933 30 20 CHED Cc1cc(C)c(C=NNc2nc3ccccc3[nH]2)c(C)c1 915915570 CLBDBBNFJGEAPO-UHFFFAOYSA-N 278.359 3.934 30 20 CHED Cc1cc(C#N)ccc1NCCCCNc1ccccn1 846747160 AQLXARHGDUFVHQ-UHFFFAOYSA-N 280.375 3.566 30 20 CHED CCN(CCSC)Cc1ccccc1C(C)(C)C#N 592200141 KXOGWBWVMVIRNB-UHFFFAOYSA-N 276.449 3.673 30 20 CHED Oc1ccc(/C=N\[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(O)c1O 745991276 UTVFZOHDYZIJQY-DCLOPUMYSA-N 289.375 3.581 30 20 CHED O=C(/C=C\c1cccc2c1OCCCO2)c1ccsc1 749104568 MZYNISULNRFEMI-WAYWQWQTSA-N 286.352 3.806 30 20 CHED COc1ccc(CN[C@@H]2CCC[C@H](C3CC3)C2)cc1C#N 742377688 XUASTPXOCLZARX-DOTOQJQBSA-N 284.403 3.625 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1c(C)nn(C(C)C)c1C 746490024 OITUOAXHHKMWMR-UHFFFAOYSA-N 295.390 3.789 30 20 CHED COc1ccc(CCC(C)=NOCc2ccc(C)nc2)cc1 848509513 WFPDUESERNRBMN-UHFFFAOYSA-N 298.386 3.924 30 20 CHED C=C[C@H](C)ONC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 846556133 YEPHZCSFJNZNFL-RDBSUJKOSA-N 273.376 3.598 30 20 CHED Cc1ccc(C#N)nc1N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 596234955 OSHPYOHPKRVDNT-BJHJDKERSA-N 297.324 3.819 30 20 CHED CC(C)CC1(C(=O)Oc2cccc(OCC#N)c2)CCC1 841345729 MILLHKQSGCCFNL-UHFFFAOYSA-N 287.359 3.711 30 20 CHED C[C@@H]1CN([C@@H](C#N)c2ccccc2)Cc2ccccc2O1 595508439 ADUCVFDXJSBTPK-PBHICJAKSA-N 278.355 3.534 30 20 CHED C=CCN(C(=O)Cc1cc(Cl)ccc1Cl)C(C)C 748172866 ANIITIOMEXWLMW-UHFFFAOYSA-N 286.202 3.959 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1 748234561 UVICXUXLFAJOFB-NSHDSACASA-N 295.766 3.567 30 20 CHED N#Cc1cncc(-c2ccc(OC[C@H]3CCCCO3)cc2)c1 592987611 ZMNRILLGVYJWDV-GOSISDBHSA-N 294.354 3.568 30 20 CHED C[C@@H](C/N=C/c1ccccc1O)Oc1ccc(Cl)cc1 743044611 MXWIRGPDBJKGJP-HWQJWEFDSA-N 289.762 3.932 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C#N)o1 928385378 OQXPESZEAVRSNL-BBRMVZONSA-N 294.354 3.560 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(CC(C)C)cc2)n(C)n1 841487287 LAEIXESPVSTCCJ-KTKRTIGZSA-N 282.387 3.823 30 20 CHED C=CCC(C)(C)COC(=O)c1cnc2n1[C@@H](C)CCC2 845575514 GWUCTNGXOXCJLG-LBPRGKRZSA-N 276.380 3.540 30 20 CHED C#CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 843699186 MZXUWILGAWVNLJ-RTBURBONSA-N 295.426 3.832 30 20 CHED N#CCc1ccc(C(=O)OCc2ccc3c(c2)CCC3)cc1 758687755 PNDCRQHOEKYOFC-UHFFFAOYSA-N 291.350 3.598 30 20 CHED COCCOCc1cccc(N[C@@H](C)CC(C)(C)C#N)c1 925753448 HOPYTWYNVRXZQT-AWEZNQCLSA-N 290.407 3.590 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 920386183 SVAXXECWAAXTRP-LBPRGKRZSA-N 283.331 3.670 30 20 CHED CC1=C(C)C[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)CC1 851205018 GBWVZJYGJLQVMU-UONOGXRCSA-N 263.381 3.994 30 20 CHED C=C[C@H](OC(=O)CC[C@H]1CCCCO1)c1ccccc1 851454305 ZUECFJOWTPYSSG-CVEARBPZSA-N 274.360 3.806 30 20 CHED CCCCCCCCNC(=O)/C=C\c1cnc(C)s1 754890360 ASUYYBSQSJSNCE-KTKRTIGZSA-N 280.437 3.941 30 20 CHED C#CCCCCN[C@H](C)c1cc(-c2ccccc2)no1 925527213 OTGMQPDZHVKKMQ-CQSZACIVSA-N 268.360 3.796 30 20 CHED C#CC[C@H](NC(=S)Nc1ccccc1F)c1ccccc1 756859881 ZCKATJUGUKFQAH-HNNXBMFYSA-N 298.386 3.877 30 20 CHED CCn1cc(/C=C/C(=O)c2cc3ccc(C)cc3o2)cn1 754825128 NKZJQQHXVAAIEM-FNORWQNLSA-N 280.327 3.854 30 20 CHED Cc1cc(-c2nnco2)ccc1N[C@@H](C)CC(C)(C)C#N 926048892 WZMDEEXOYMCGIB-LBPRGKRZSA-N 284.363 3.785 30 20 CHED C=CCC1(C(=O)O[C@H](C)CC(C)(C)C#N)CCCC1 851206159 OZQSZBMNZYANTM-CYBMUJFWSA-N 263.381 3.994 30 20 CHED Cc1cc(C)c2cc(C(=O)N3CCC[C@H](CC#N)C3)[nH]c2c1 855259593 MLSFSKOUJBORMU-CQSZACIVSA-N 295.386 3.551 30 20 CHED N#CC1(CC(=O)OCc2ccsc2)CCCCC1 850861803 MMIDPAZMYQTVBE-UHFFFAOYSA-N 263.362 3.655 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 857678484 GYZLYKKQHNKQQE-UHFFFAOYSA-N 294.326 3.517 30 20 CHED FC(F)(F)c1ccc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)nc1 755489781 XJADDTKPZRQPTL-DCAQKATOSA-N 281.281 3.710 30 20 CHED C=CCCC(=O)O[C@H]1CCc2c(OCC3CC3)cccc21 753250630 SHZIYKUKNRNFTL-KRWDZBQOSA-N 286.371 3.972 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCCC#N 932279198 WDCJAQUQVUZGEV-RDJZCZTQSA-N 256.393 3.948 30 20 CHED C=C[C@@H](CC)CC(=O)N1Cc2ccccc2C[C@@H]1C 933492170 DAVLOGCGOVLRJP-KBPBESRZSA-N 257.377 3.562 30 20 CHED C[C@@H](N[C@H](C)c1ccc(F)cc1O)c1cccc(C#N)c1 756628037 UQKGWIAKZKNEAQ-VXGBXAGGSA-N 284.334 3.815 30 20 CHED C#CC[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 757595187 FFRDWQDDPWMGBC-MRXNPFEDSA-N 289.334 3.927 30 20 CHED C#C[C@H](CC)NCc1c(-c2ccccc2)nc2sccn12 752977751 QIOCNIFKYHVUPJ-CQSZACIVSA-N 295.411 3.564 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2cc(F)ccc2[C@H]1C 933268939 CIBVOZJBAIXJLF-OLZOCXBDSA-N 275.367 3.874 30 20 CHED C#Cc1ccc(NC(=O)N(CC)[C@@H](C)C(C)C)cc1 934934832 BHLJLRHUEZZCDR-ZDUSSCGKSA-N 258.365 3.566 30 20 CHED N#Cc1cccc(C2(NC(=O)OC3CCCCC3)CC2)c1 866996567 VUFGDFIIGNIGDQ-UHFFFAOYSA-N 284.359 3.606 30 20 CHED CCCCCCCCC(=O)N[C@H](C)c1ccc[nH]1 760742544 ZVHFBYBDBCZOOS-CYBMUJFWSA-N 250.386 3.943 30 20 CHED C#CCOc1ccccc1-c1noc(-c2ccc(C)s2)n1 761995550 DGQWXYIFHRCACP-UHFFFAOYSA-N 296.351 3.786 30 20 CHED C#CCCCOC(=O)c1cccc(-c2ccoc2)c1 760969410 VDCUWJOQHGCKCQ-UHFFFAOYSA-N 254.285 3.517 30 20 CHED C=CCCCC(=O)OC[C@H](C)c1ccc(OC)cc1 768826296 ODGJREISDKHHFN-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED CC(C)C(=NNc1ccc(F)c([N+](=O)[O-])c1)C1CC1 769829405 PSIOCORLHMFGHN-UHFFFAOYSA-N 265.288 3.568 30 20 CHED C=CCN(C(=O)[C@@H]1CCO[C@@H](C(C)C)C1)c1ccccc1 936033729 JFFWAKGHLQLYPY-NVXWUHKLSA-N 287.403 3.657 30 20 CHED CC(=NNc1c(C)cccc1F)c1scnc1C 769827734 ILKWOKOQBWYMLB-UHFFFAOYSA-N 263.341 3.735 30 20 CHED CCc1ccc(C=NOCc2cccc3nsnc23)cc1 764544448 ZPCHPRYTBRMPIG-UHFFFAOYSA-N 297.383 3.804 30 20 CHED C#CC[C@H](NCCCC1CCOCC1)c1ccccc1 769537388 KAMNYVZWKRXAHF-SFHVURJKSA-N 271.404 3.547 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2ccc(OCC)cc2)c1 766400933 WGQYOYVAANPCDC-UHFFFAOYSA-N 294.354 3.735 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCC[C@@H](C)OC)cc1 765630728 NDBQOTVKOMPIKM-ZIAGYGMSSA-N 297.826 3.894 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1CC12CCCC2 768747200 OSMXAMJJWJIQDI-ZDUSSCGKSA-N 263.381 3.830 30 20 CHED COc1ccsc1/C=C1/Cc2c(F)cccc2C1=O 764434167 XIDKTQBCZZVHHW-HJWRWDBZSA-N 274.316 3.718 30 20 CHED C[C@H](c1cc(F)ccc1F)N(C)c1cccc(CC#N)n1 1116661646 IGTTZPFGYSWXPO-LLVKDONJSA-N 287.313 3.623 30 20 CHED C=CCCc1noc([C@H](C)c2ccc(F)cc2F)n1 1117779640 UDLJCEBHSPVVOF-SECBINFHSA-N 264.275 3.618 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H](F)c1ccccc1 769367843 GBPMENRJHAYJQC-MRXNPFEDSA-N 298.317 3.606 30 20 CHED N#C[C@H](OC(=O)C[C@H]1C=CCCC1)C1CCCCC1 778392992 UDCWUDAJMLVWKC-ZFWWWQNUSA-N 261.365 3.748 30 20 CHED C#CCCCCCC(=O)N(CC)[C@H]1CCCC[C@H]1C 779908123 XYMXWYGJDVLVHG-CVEARBPZSA-N 263.425 3.997 30 20 CHED Cc1cccc2c1CC[C@@H]2NCc1ccc(OCC#N)cc1 772958982 JRYVECSKXNCFKY-IBGZPJMESA-N 292.382 3.675 30 20 CHED CC(C)c1nccnc1NN=C[C@@H](C)c1ccc(F)cc1 773092829 GJOJFIPBNSGBOR-GFCCVEGCSA-N 286.354 3.941 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cn1 776395732 MHJKCBFVBMHJLY-MRXNPFEDSA-N 286.375 3.834 30 20 CHED N#Cc1cccc(COC(=O)C=C2CCCCC2)c1F 774924210 ATFVVYHAMGWYSE-UHFFFAOYSA-N 273.307 3.631 30 20 CHED CSc1ccccc1C(C)=NNc1ncccc1C 1116920964 QXAPZJWDHNVFLH-UHFFFAOYSA-N 271.389 3.948 30 20 CHED CCC(=NNc1ccc(Cl)nc1)c1ccc(C#N)cc1 773058252 LQKSNYFXTHVOAV-UHFFFAOYSA-N 284.750 3.833 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(c1)N(CC)CC2 779902867 UPWDFMPMCOOLPQ-UHFFFAOYSA-N 284.403 3.591 30 20 CHED C=CCCCCNCc1cc(Cl)cc(F)c1O 770668759 PXTMVSWUCYQCHV-UHFFFAOYSA-N 257.736 3.631 30 20 CHED C[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1ccsc1 776385709 HHQHNAWSWLQSDN-RISCZKNCSA-N 277.389 3.867 30 20 CHED Cc1cc(/C=C/C(=O)c2sccc2O)ccc1C#N 773150143 PFVPSBNUKVMNOT-HWKANZROSA-N 269.325 3.530 30 20 CHED C#C[C@H](C)NC(=O)c1cccc(F)c1Sc1ccccc1 775380920 BWYBCZVKCXLQPQ-LBPRGKRZSA-N 299.370 3.728 30 20 CHED CCC(C)(C)CC(=O)O[C@@H](C#N)C1CCCCC1 776389706 ABXFVIWXUZYCKU-ZDUSSCGKSA-N 251.370 3.828 30 20 CHED FC(F)Oc1ccccc1C=NOC1CCCC1 774596604 HKPSAJJJIAYMDE-UHFFFAOYSA-N 255.264 3.581 30 20 CHED C#CCOc1ccccc1NC(=O)/C=C(\C)C(C)(C)C 775950149 GNHRAVSPXWXDKC-OUKQBFOZSA-N 271.360 3.630 30 20 CHED Cc1cc(F)ccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 771400880 HTJDZFWKHZNZHA-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C=CCCN(C)C(=S)NC[C@H](CC)CCCC 786090705 LAQVYMLVMFWYSY-CYBMUJFWSA-N 256.459 3.585 30 20 CHED CC[C@@H](C#N)OC(=O)CCC[C@@H](C)c1cccc(OC)c1 789045571 DDMJBPGGGXGYDM-HIFRSBDPSA-N 289.375 3.814 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1cccc(Cl)c1F 786287471 UVUIIARHIQSBKA-JTQLQIEISA-N 286.730 3.504 30 20 CHED CCS[C@H](C(=O)OCc1ccc(F)cc1C#N)C(C)C 785818383 GCRXFZCIIUCVTF-AWEZNQCLSA-N 295.379 3.518 30 20 CHED CC(C)c1ncc(C(=O)OCCCC(C)(C)C#N)s1 784299541 IOLYSPWTVVHQKI-UHFFFAOYSA-N 280.393 3.753 30 20 CHED C(=NNc1nncc2ccccc12)c1cc2ccccc2[nH]1 788406813 FVABARIHIAJFPF-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C#CCC1(c2nc(C3CCCC3)no2)CCCCC1 788098799 ZMYRIMVMFAOVOV-UHFFFAOYSA-N 258.365 3.952 30 20 CHED Cc1ccc(CCCC=NNc2cnccn2)cc1C 783825244 XPXPLPKWVBJWSV-UHFFFAOYSA-N 268.364 3.514 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(Cl)ccc1O 787311573 VRRXMLYCNJNPFC-CYBMUJFWSA-N 251.757 3.586 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccc(O)c(C)c3)cn2c1 789144746 XHAPUCFSHHUMDE-ALCCZGGFSA-N 292.338 3.553 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1cccnc1 782303366 XKPPSAHAUBBSFF-GQCTYLIASA-N 260.296 3.526 30 20 CHED C#CCCOc1ccc(CN2CCCC[C@H]2C=C)cc1 787309738 LRYQRYGVFRDJNU-QGZVFWFLSA-N 269.388 3.629 30 20 CHED C=CCN(Cc1ccccc1)Cc1cn2ccccc2n1 76511491 VDNGJMWTSFIEDA-UHFFFAOYSA-N 277.371 3.523 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(F)c(C(=O)CC)c1 785857634 XMDDWCDYZVZXBI-ZDUSSCGKSA-N 289.350 3.599 30 20 CHED CC(C)(C)CC(=NNCCC(=O)OC(C)(C)C)C1CC1 787162828 PWUBGALHIHRUHK-UHFFFAOYSA-N 282.428 3.510 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cccc(C(F)F)c2)c1 1132446045 RRJWFGFHQLDCFQ-UHFFFAOYSA-N 290.244 3.887 30 20 CHED CC/C(C)=C(\C)C(=O)O[C@@H](C)c1cccc(C#N)c1 784612127 FYOKPJOQLIIPTQ-YLSINNKHSA-N 257.333 3.909 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(F)c([C@H](C)O)c1 894435407 OVVFHEGPZKTZPH-QWRGUYRKSA-N 264.344 3.619 30 20 CHED Cc1ccc(C(=O)N(C2CC2)[C@H](C)C(C)C)cc1C#N 799307560 LROLGAIAEOMECH-CYBMUJFWSA-N 270.376 3.516 30 20 CHED C=CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)C1CC1 271384388 IZKNJADGWWNVOC-UHFFFAOYSA-N 292.810 3.546 30 20 CHED C#Cc1ccc(NCc2cnc([C@@H]3CCCO3)s2)cc1 898506070 RHIPWQNQQZVLFT-HNNXBMFYSA-N 284.384 3.588 30 20 CHED C=CC[C@H](C)NCc1nc(-c2cccc(OC)c2)cs1 892950013 KDYKYJIKSRIUIN-LBPRGKRZSA-N 288.416 3.873 30 20 CHED C=CC[C@H](NCc1nc(C)c(C)s1)c1ccncc1 892973706 VVCOPNFGUCBBGN-AWEZNQCLSA-N 273.405 3.562 30 20 CHED N#CC[C@H](CC(=O)Oc1ccc(C#N)cc1)c1ccccc1 796508604 XXXBZUXPQOXQTP-MRXNPFEDSA-N 290.322 3.551 30 20 CHED CSCCON=C(C)c1cc2ccc(C)cc2o1 794574761 OMPBTIQWTDYTQA-UHFFFAOYSA-N 263.362 3.845 30 20 CHED c1ccc(CON=C2CCC[C@@H]2c2ccccn2)cc1 794889467 YBMQDVFEVQDGGM-OAHLLOKOSA-N 266.344 3.922 30 20 CHED N#Cc1ccccc1COC(=O)c1sccc1Cl 796931320 OTLBXKZHUZQRAP-UHFFFAOYSA-N 277.732 3.630 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 791075344 YIUUWIBCAYXLLY-DZGCQCFKSA-N 298.386 3.937 30 20 CHED Fc1ccc([C@H]2CCCC2=NNCCC(F)(F)F)cc1 794547137 ZBIYFWUEBRDHHP-GFCCVEGCSA-N 288.288 3.991 30 20 CHED C[C@@H](NN=Cc1nc2ccc(Cl)cc2n1C)C(C)(C)C 793113229 BFVHENMZUOCMOS-SNVBAGLBSA-N 292.814 3.585 30 20 CHED C=CC[C@@H](CC)NCc1ccc([N+](=O)[O-])c(Cl)c1 798958566 DHAXUVLIYNNXKW-LLVKDONJSA-N 268.744 3.693 30 20 CHED C=CCCCOC(=O)c1sccc1Br 735529572 FHDIFNFAMYSSQQ-UHFFFAOYSA-N 275.167 3.634 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)nc1 792302652 SRROFUCVUJSDNJ-SNVBAGLBSA-N 289.741 3.597 30 20 CHED COc1cccc(/C=C2/Cc3cc(C)ccc3C2=O)c1F 799892114 FLZFGQISROOHEP-ZROIWOOFSA-N 282.314 3.965 30 20 CHED COc1ccccc1CON=Cc1ccc2occc2c1 794939410 YMLNWWUCGYLRLW-UHFFFAOYSA-N 281.311 3.992 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1c1cccc(C)c1 791065373 RCMVPCONQCIUSE-IAGOWNOFSA-N 284.403 3.643 30 20 CHED CCCc1nc(C)c(C(=O)O[C@@H](C#N)C2CCCCC2)o1 796536669 HHGKOCRYNXVMHW-ZDUSSCGKSA-N 290.363 3.565 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1cc(C)cc(C)c1 798376499 VFQCZGUJRRLSCE-ZDUSSCGKSA-N 262.422 3.945 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCCC[C@H]1CC 793829170 GIVNIIUJTWQAFS-OLZOCXBDSA-N 289.341 3.617 30 20 CHED Fc1cccnc1NN=Cc1nc(-c2ccccc2)cs1 794979948 AGHDXJLYROXCSB-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C=C(CC)CN1CCCCC[C@H]1C[C@H](O)c1ccco1 773428656 LYXVPLAKJZFUNY-HOTGVXAUSA-N 277.408 3.914 30 20 CHED C=CCCCOC(=O)c1cc(C)nc2cc(F)ccc12 1318921818 WLCSFYXDMWVTFP-UHFFFAOYSA-N 273.307 3.805 30 20 CHED CC(C)(C)Oc1ccc(CCN[C@@H]2CC[C@@H](C#N)C2)cc1 1325159914 UNDVRVDDILXXSM-HZPDHXFCSA-N 286.419 3.688 30 20 CHED C=CCn1cnnc1SCC1CCC(C)(C)CC1 1325490119 MSOFIUCIXHHXAK-UHFFFAOYSA-N 265.426 3.773 30 20 CHED Fc1ccc(CNN=Cc2coc3ccccc23)cc1 1322805048 NDNUYFNEHVLQOE-UHFFFAOYSA-N 268.291 3.696 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccc2c(c1)oc1ccccc12 1322457519 ATFAIMCFOMYOCF-HNNXBMFYSA-N 292.338 3.864 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H]1CCCCC12CCCC2 1324277327 GWDJLIKWVYKAFO-INIZCTEOSA-N 288.435 3.544 30 20 CHED C[C@@H](Nc1cccc(CC#N)n1)[C@H](C)c1ccccc1 1320655999 NVVBXUOAMLYPCY-UONOGXRCSA-N 265.360 3.752 30 20 CHED C#CC[C@H](CCOC)NCc1ccc(Oc2ccccc2)o1 1329174000 QXJIOLRBMCKBLU-OAHLLOKOSA-N 299.370 3.590 30 20 CHED C=CCN(C)C(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12 1255289055 UAXGBDHVAGEDFP-UHFFFAOYSA-N 298.386 3.551 30 20 CHED CC(C)Oc1ccccc1/C=C\c1cc(C#N)ccn1 1339547481 FESVLEANQTVHSV-FPLPWBNLSA-N 264.328 3.911 30 20 CHED COc1cccc(CC(=NOC(C)(C)C)C2CC2)c1 1341309544 RCYJMXOKQFZDQK-UHFFFAOYSA-N 261.365 3.819 30 20 CHED CO[C@](C)(C=NNc1ccc(C)c(Cl)c1)C1CC1 1261235022 DVXYHIBBDDEITN-CQSZACIVSA-N 266.772 3.861 30 20 CHED CCCC(=O)O[C@@H](c1cccs1)[C@@H](C#N)CC 1348798321 IXCHPTSZQCNIMJ-ZWNOBZJWSA-N 251.351 3.682 30 20 CHED C#CC[C@H](CC)c1nnc(N2CCC=C(C)C2)n1CC(=C)C 1343271124 LYIJQAREZLPLMX-INIZCTEOSA-N 298.434 3.528 30 20 CHED C=C(CC)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 1347126335 KGLMRDXCAJLOGB-HAQNSBGRSA-N 263.768 3.668 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1ccc(OCC#N)cc1 1340110056 OCGTYIDTMPIVBR-UHFFFAOYSA-N 274.364 3.600 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](c1ccccc1)C(C)C 1352350321 ZGEGPMWCGHYLJH-GOSISDBHSA-N 292.382 3.994 30 20 CHED N#CC[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 1354121563 JLENCOUIVZTEKG-HNNXBMFYSA-N 284.746 3.976 30 20 CHED Cc1cc(C)c(COC(=O)c2csc(C#N)c2)c(F)c1 1538559261 ATNTZZVAQQODNC-UHFFFAOYSA-N 289.331 3.733 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(C(=O)O)cc1 1602722882 XFOZGXPPNKIVQK-UHFFFAOYSA-N 295.382 3.616 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1F)c1ccc(F)cc1 1612177458 FSYUWEIXKVFFKH-AWEZNQCLSA-N 273.286 3.795 30 20 CHED CCc1nc(C#N)cc(N(C)[C@H]2CCC[C@@H]2C(C)(C)C)n1 1612505334 UNBABUKEAVGKAU-KBPBESRZSA-N 286.423 3.562 30 20 CHED CCCCCCCCC(=O)Nc1ccccc1CN 115064549 NXZNMNIUVXBAKT-UHFFFAOYSA-N 262.397 3.834 30 20 CHED N#Cc1cc(=N[C@@H](c2ccc(Cl)cc2)C2CCC2)cc[nH]1 1611955789 XKIJALZNLNCQEI-QGZVFWFLSA-N 297.789 3.982 30 20 CHED CCc1cccc(CN2CCc3c(C#N)cccc32)c1 1559927209 KPHHZJYLDXGFBX-UHFFFAOYSA-N 262.356 3.683 30 20 CHED C=C(Cn1c(CC)nnc1N(CC)C(C)C)c1ccccc1 1722540856 RCAORYAOUHVUMG-UHFFFAOYSA-N 298.434 3.789 30 20 CHED N#CCc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1 120873377 RKLXOAOHCDRDKD-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)O)C2 1573365241 DOJPRRYPVIOGDZ-LVQVYYBASA-N 294.439 3.632 30 20 CHED C=CCSCCNCc1ccc(F)c(C(F)(F)F)c1 229808832 OZKWHQXZFAGUIX-UHFFFAOYSA-N 293.329 3.853 30 20 CHED CCCC[C@@H](Sc1ccc(C#N)c(C)c1)C(=O)OC 1652058290 HTHBQDVOXXCJIJ-CQSZACIVSA-N 277.389 3.691 30 20 CHED Cc1cc(SCc2ccc(Cl)nn2)ccc1C#N 1656666707 INFKEMHQVMQKSH-UHFFFAOYSA-N 275.764 3.602 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@]1(c2ccccc2)CC1(C)C 1586855646 QMSLCEGECWZUAL-LJQANCHMSA-N 298.430 3.800 30 20 CHED N#C[C@H]1CCC[C@H](NCc2nc(-c3ccccc3)cs2)C1 1659929369 KVZNQSIGQRTUHQ-ZFWWWQNUSA-N 297.427 3.982 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 1657570944 NFMDAKHTFIAGRH-CABCVRRESA-N 285.391 3.895 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC 1593808177 PQTWCSIQCBMUSA-AAEUAGOBSA-N 296.846 3.779 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1ccco1 1776787054 MCAUAPJXDVPQBI-ZDUSSCGKSA-N 267.369 3.573 30 20 CHED C=C1C[C@@H](C(=O)O)N(Cc2ccc(-c3cccs3)cc2)C1 1776146439 NYZKDKCWOGVSJU-HNNXBMFYSA-N 299.395 3.630 30 20 CHED C[C@@H](C=NNc1ccc(C(=O)O)c(F)c1)c1ccccc1 1776073267 LOYWKQLXTDQZJD-NSHDSACASA-N 286.306 3.725 30 20 CHED C=CCON=Cc1ccc(-c2cccc(C(=O)O)c2)s1 1776060107 CYUSFNKCTUODPL-UHFFFAOYSA-N 287.340 3.650 30 20 CHED C=CCOCCCC(=O)N(CC)c1cccc(Cl)c1 361564064 LDJBXODONSBLML-UHFFFAOYSA-N 281.783 3.676 30 20 CHED C=CCOc1cccc(/C=C2/Cc3c(O)cccc3C2=O)c1 11336285 NRWOQBPZIYJXHZ-UVTDQMKNSA-N 292.334 3.779 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCO2 14202539 FFHWRLWRGGMVRF-VQHVLOKHSA-N 294.350 3.916 30 20 CHED N#Cc1cccc(-c2csc(NC(=O)c3ccco3)n2)c1 161018606 OYGBFSRAZIUXAQ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC(C)[C@H]1CCCC[C@H]1NCc1cccc(OCC#N)c1 160339388 BRDDUFZTUILMTQ-QZTJIDSGSA-N 286.419 3.893 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccc(C)nc1 153783267 WLZIVOJUCAZUMO-UHFFFAOYSA-N 282.387 3.587 30 20 CHED N#C[C@@H](NC(=O)C1=CCCC1)c1cccc(Cl)c1Cl 157081262 VKNVJAGQMWZLKC-GFCCVEGCSA-N 295.169 3.785 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)c(Cl)c1 154270652 RXPOVJPDPLRKMU-XHDPSFHLSA-N 290.794 3.862 30 20 CHED N#CCN(CCc1ccccc1Cl)C1CCCC1 156704493 XWQKDKGEOHVXQG-UHFFFAOYSA-N 262.784 3.651 30 20 CHED CC#CCCSCc1csc(-c2ccccn2)n1 154932917 VLCKOCQIZPNCSL-UHFFFAOYSA-N 274.414 3.852 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)CCc2cc(O)ccc21 207933705 VJVANKDDRYLLRY-GHXNOFRVSA-N 286.277 3.883 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cnn(C)c1Cl 816594501 GOJFUJCRWWENRK-UHFFFAOYSA-N 289.810 3.652 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1nccc(C#N)c1Cl 233865076 GQFZGHOWXPSRRI-MNOVXSKESA-N 281.812 3.693 30 20 CHED CC[C@H](CSC)N(C)CCCCC(C)(C)C#N 234021330 OZTKNPYNZHBBCL-CYBMUJFWSA-N 256.459 3.780 30 20 CHED C#Cc1ccc(CN[C@H](C)Cc2ccccc2F)cc1 809608741 SBEYMOJWOUZJGJ-CQSZACIVSA-N 267.347 3.528 30 20 CHED C#Cc1cccc(N(CC)C(=O)C2CC3(CCC3)C2)c1 843543708 RUVPWVRODPEUBK-UHFFFAOYSA-N 267.372 3.601 30 20 CHED Cc1cccc(CS(=O)(=O)CCCCC(C)(C)C#N)c1 235782271 KKWPXAMUWMTABU-UHFFFAOYSA-N 293.432 3.630 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(Cl)cc1F 129243567 HVZQZDQZOJCTJX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#Cc1ccc(OCCc2ccccc2F)cc1Cl 1189166673 UXEODFGMTFPFMA-UHFFFAOYSA-N 275.710 3.972 30 20 CHED N#Cc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 252454822 KFDPMVZEOVUXBM-LMLQULGWSA-N 252.361 3.795 30 20 CHED N#Cc1cc(NC[C@H]2CCCCO2)ccc1C(F)(F)F 154045982 BLLRNJUCQORTAR-GFCCVEGCSA-N 284.281 3.558 30 20 CHED C[C@H]1CSCCN1c1ccc(C(F)(F)F)c(C#N)c1 164472985 JGSPUNAOPVNIEG-VIFPVBQESA-N 286.322 3.519 30 20 CHED CCC1CCC(N(C)Cc2ccc(C#N)cc2)CC1 49024136 ZCUIGMKHMAEEAM-UHFFFAOYSA-N 256.393 3.959 30 20 CHED C=C(Br)CNCC1CCC(C)(C)CC1 308539167 SRXNVAQPUUXNBD-UHFFFAOYSA-N 260.219 3.701 30 20 CHED N#Cc1cc(NC2CCC(F)(F)CC2)c([N+](=O)[O-])s1 407170291 YUOGFAFIWWXQTM-UHFFFAOYSA-N 287.291 3.518 30 20 CHED N#Cc1cccc(NCc2c(Cl)cccc2Cl)n1 522934758 DPYXOMMFRKEKFG-UHFFFAOYSA-N 278.142 3.872 30 20 CHED Cc1ccc(CNCCc2cccc(C#N)c2)cc1C 466422988 OWOXYPPRQQYHDY-UHFFFAOYSA-N 264.372 3.507 30 20 CHED CC1=CCC[C@H](C)[C@H]1CNCCc1cccc(C#N)c1 466426590 VHGKEEVAAFRWCT-YJBOKZPZSA-N 268.404 3.683 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Br)oc1C 424862549 YTZLILOHPJUICB-SNVBAGLBSA-N 298.180 3.531 30 20 CHED C[C@H]1c2ccccc2CN1c1nccc(C#N)c1Cl 336334133 BOQYPUXGLIRIKF-JTQLQIEISA-N 269.735 3.688 30 20 CHED COc1ccc(CN(Cc2ccccc2)C2CC2)cc1C#N 340131093 VVJOPGGFEWRXJQ-UHFFFAOYSA-N 292.382 3.731 30 20 CHED C[C@H]1CCC[C@H](N(C)Cc2ccc(C#N)c(F)c2)C1 361690540 YJUMDCSHYWSRNP-WFASDCNBSA-N 260.356 3.708 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 486104143 JDFQJNPMRXZUOZ-UHFFFAOYSA-N 287.281 3.952 30 20 CHED CS[C@H]1CC[C@H](N(C)CCCCC(C)(C)C#N)C1 687678812 RZGMUYUWFKRRAP-KBPBESRZSA-N 268.470 3.922 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC23CCC3)c(F)c1 590645641 OMGZGCPBYNEDKQ-HNNXBMFYSA-N 258.340 3.510 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2F)cc1 6484160 LCTIVNSGDVUKAQ-DHZHZOJOSA-N 256.276 3.730 30 20 CHED C=CCOc1cccc(NC(=O)c2cc3ccccc3[nH]2)c1 56337338 KJIBOIIUGCIQFE-UHFFFAOYSA-N 292.338 3.985 30 20 CHED C=CCCCC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 175966111 FBZFKOQVQWVOBW-HNNXBMFYSA-N 259.393 3.707 30 20 CHED Cc1cc(C)cc(CCNCc2ccc(C#N)s2)c1 176974476 TVMJIDNNJSRZGR-UHFFFAOYSA-N 270.401 3.569 30 20 CHED C=CCn1c(SCc2cccnc2)nc2ccccc21 57646775 LQAANCBRAPSJKI-UHFFFAOYSA-N 281.384 3.910 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 50683180 JCOQFEGUZYVPEJ-GFCCVEGCSA-N 299.757 3.727 30 20 CHED C[C@@H](C#N)CNCc1c(Cl)ccc(Cl)c1Cl 54181198 XYYYJOSDHNNSBB-ZETCQYMHSA-N 277.582 3.896 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(NC(C)=O)cc2)cc1 102664098 CLBYJZSPPMBDDF-XGICHPGQSA-N 295.338 3.550 30 20 CHED C[C@@H]1CCCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 119252200 GKJGMCWKCCQLJZ-CYBMUJFWSA-N 285.391 3.894 30 20 CHED C[C@H](NCc1cccc(OCCCC#N)c1)C1CCC1 119640792 NMNTZRAUDOMZIF-AWEZNQCLSA-N 272.392 3.647 30 20 CHED C=CC[C@@H](C)NC(=O)CCCCOc1cccc(C)c1 116858577 NLPJYMFYSMJIEO-OAHLLOKOSA-N 275.392 3.625 30 20 CHED CCCc1csc(NC(=O)/C=C/c2ccccc2C#N)n1 179959392 CKRCBTVGFFDFSE-CMDGGOBGSA-N 297.383 3.619 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)C1CCCC1 178567270 CRYBXUMPLYZIFI-GFCCVEGCSA-N 271.364 3.567 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc(OCC#N)cc2)c1 116609057 RUFQLHWUZDXMCL-WEVVVXLNSA-N 295.313 3.933 30 20 CHED C=CCCCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 176515753 VSBTYRDKFPLADF-UHFFFAOYSA-N 295.304 3.529 30 20 CHED CCCn1nc(C)c(/C=C2\Cc3ccc(F)cc3C2=O)c1C 178030783 HNRHTAVBXFHRLH-NTEUORMPSA-N 298.361 3.871 30 20 CHED C=CCCCOC(=O)Cc1c[nH]c2cccc(C)c12 117995284 PQSAQIAISRUELX-UHFFFAOYSA-N 257.333 3.528 30 20 CHED CCc1nc(CCNc2ccc(Cl)cc2C#N)cs1 301213106 WECYOYGUPLZRRI-UHFFFAOYSA-N 291.807 3.885 30 20 CHED Cc1ccc([C@@H](O)CSc2nc(C)cc(C)c2C#N)cc1 174672101 LOYGDKNXLDVEOS-INIZCTEOSA-N 298.411 3.704 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccccc1[N+](=O)[O-])C2=O 63279322 TZLSNTKDWIRJLM-LCYFTJDESA-N 295.294 3.562 30 20 CHED CC(C)(C)[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 468282174 OYHYKSIZNDPGEN-HNNXBMFYSA-N 260.356 3.708 30 20 CHED C=CCOc1ccccc1CNc1ccnc(C(C)(C)C)n1 301529670 OVLNOTCTROGXRA-UHFFFAOYSA-N 297.402 3.951 30 20 CHED N#CCCCC/N=C/c1cc(Cl)cc(Cl)c1O 171417222 CRGISCSZOASWMF-LZYBPNLTSA-N 271.147 3.812 30 20 CHED C[C@@H](NCCSCc1ccccc1C#N)c1ccccn1 179465401 GCLCVUJLEJFYEO-CQSZACIVSA-N 297.427 3.537 30 20 CHED N#Cc1ccc(N2CC[C@@H](Nc3ccccc3)C2)cc1Cl 301225745 GEAGVCNRHNXHHE-OAHLLOKOSA-N 297.789 3.902 30 20 CHED CC1(CC(=O)N(CC#N)c2ccccc2)CCCCC1 178856871 IQWSUHICVGDUSJ-UHFFFAOYSA-N 270.376 3.904 30 20 CHED C#CCOc1ccccc1OC(=O)c1coc2ccccc12 303639671 VHNFHZKWJQTQEQ-UHFFFAOYSA-N 292.290 3.664 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1c(C)noc1C1CC1 1341780435 HYAJSARGKYKRKG-CYBMUJFWSA-N 289.379 3.823 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1cc(C#N)cs1 175872378 ABFBJBREAYLLTR-UONOGXRCSA-N 280.462 3.774 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2ccccc21 120814729 WFZSGWMORCQWJE-UHFFFAOYSA-N 255.361 3.734 30 20 CHED C[C@H](c1ccccc1)N(C)c1ccc(C#N)cc1[N+](=O)[O-] 301064378 OIEVURQDTHCDHF-GFCCVEGCSA-N 281.315 3.664 30 20 CHED N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)cc1 124159190 CWYXYTPQVGLBNN-IBGZPJMESA-N 276.383 3.623 30 20 CHED CN(c1cccc(F)c1C#N)[C@@H]1CCc2ccccc2C1 303507432 ARYGPOFXKCXKLR-OAHLLOKOSA-N 280.346 3.691 30 20 CHED C[C@H](Nc1ncccc1C#N)c1ccc(F)cc1Cl 301288786 SDPZZRSTVJZYJP-VIFPVBQESA-N 275.714 3.919 30 20 CHED C#CCCCCN[C@H](C)Cc1ccccc1SC 183617362 MFKBAIODZIURFR-CQSZACIVSA-N 261.434 3.733 30 20 CHED C=C(C)[C@@H](NC(=O)[C@@H](C)CC)c1ccc(F)c(F)c1 186041125 RUKRNDHREWHAHU-IINYFYTJSA-N 267.319 3.744 30 20 CHED C=CCC[C@H](C(=O)Nc1cnc(CC)nc1)c1ccccc1 188740627 YODNICVQTGIPCD-INIZCTEOSA-N 295.386 3.728 30 20 CHED C=CCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 188612910 QMLNBULZUFPJES-UHFFFAOYSA-N 298.430 3.649 30 20 CHED COc1cccc(/C=N\[C@@H](C)c2ccc(C)s2)c1O 122226324 PYKXUGLKJNMNSI-RCEBRVLHSA-N 275.373 3.951 30 20 CHED CC[C@H]1CC[C@H](C)N1Cc1cn2ccccc2c1C#N 357525667 FIXKRTPDRPEDQI-ZFWWWQNUSA-N 267.376 3.574 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccccc1)C(C)(C)C 123572330 IBQGLJNQCGBVTH-HZPDHXFCSA-N 261.409 3.691 30 20 CHED CCCCc1noc(CO/N=C/c2ccc(CC)cc2)n1 123249809 OJEQRLMYMWNWPJ-GZTJUZNOSA-N 287.363 3.525 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccccc1COC 182887812 BGDBZXBJWVEDDX-ZDUSSCGKSA-N 276.380 3.699 30 20 CHED CN(CCC#N)c1ccc(CNc2cccc(F)c2)cc1 121538345 SOEGWUDWTRFXGJ-UHFFFAOYSA-N 283.350 3.788 30 20 CHED Cc1ccsc1/C=C1/COc2ccccc2C1=O 211828747 WTAMEQYKBOBVDJ-FLIBITNWSA-N 256.326 3.715 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(NC(=O)C2CC2)cc1 124320689 XMWBUYSBFVRPNS-UHFFFAOYSA-N 299.370 3.709 30 20 CHED C=CCn1c(SC2CCCC2)nnc1-c1ccccn1 124915149 GJUYOTUQFIMLDA-UHFFFAOYSA-N 286.404 3.561 30 20 CHED O=C(/C=C/c1ccc(F)c(C(F)(F)F)c1)c1cnccn1 121226622 QYZYNBXYHVTOBH-DUXPYHPUSA-N 296.223 3.531 30 20 CHED C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1 489798165 DHEBCFQABMGPJI-ZANVPECISA-N 268.282 3.550 30 20 CHED CCCCOc1ccc(OC)cc1N[C@H](C#N)CC 122204630 VDHOKNAXKMBZTJ-LBPRGKRZSA-N 262.353 3.588 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(F)c(C)c1 121675514 FDJCWPGNUNDQKE-UHFFFAOYSA-N 261.340 3.519 30 20 CHED C=CCC(C)(C)C(=O)N1CCN(C2CC2)c2ccccc21 410730407 MMXLBFCRTLLYRK-UHFFFAOYSA-N 284.403 3.604 30 20 CHED CCOCC(C)(C)CNc1c(C#N)cnc2ccccc12 314098237 DMDACTOXXYJUMV-UHFFFAOYSA-N 283.375 3.581 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cccc(Cl)c1F 213099014 MLUWWHAAUYODKS-GHXNOFRVSA-N 298.704 3.843 30 20 CHED C=CCC[C@H](NC(=O)[C@H](C)CCCOC)c1ccccc1 183385698 RKUXIUXJZXNTRN-WBVHZDCISA-N 289.419 3.873 30 20 CHED C[C@@H](CCC#N)Sc1nnc(Cc2cccs2)o1 188309548 FFOFGMYRKWTKDH-VIFPVBQESA-N 279.390 3.506 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc2c(=O)n(C)ccc12 502309656 MFVWIRKYGPSGRF-QWHCGFSZSA-N 270.376 3.551 30 20 CHED CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 181998648 ZUKKBYVOZGEUEE-SCLBCKFNSA-N 298.361 3.736 30 20 CHED CCc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1 75980627 GGVNCWOHTCKKFU-UHFFFAOYSA-N 293.370 3.785 30 20 CHED CC#CCCCC(=O)Nc1cccc(-n2nc(C)cc2C)c1 185324700 DYRIPEQGKUSALC-UHFFFAOYSA-N 295.386 3.621 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Cc1ccc(Cl)cc1 410128428 SFARVJFCVHLOBJ-DOMZBBRYSA-N 279.811 3.990 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(C(F)(F)F)n1 187875178 YGLJKRKJTPZMHW-LBPRGKRZSA-N 272.270 3.641 30 20 CHED CC(C)c1ccsc1/C(O)=N/Cc1nnc(C2CC2)o1 329372627 JMKFWZJDRBAJPK-UHFFFAOYSA-N 291.376 3.637 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(C)c1Br 455160588 GQFQDEXTQUBQJT-UHFFFAOYSA-N 297.196 3.845 30 20 CHED CC(C)(C)CC(C)(C)NCc1ccc(C#N)s1 135676459 DCWZYTMVYDEJEE-UHFFFAOYSA-N 250.411 3.924 30 20 CHED CC[C@@H](C)c1cc(C(=O)Nc2ccc(CC#N)cc2)on1 131594373 NNIPBZUHGJWTBA-LLVKDONJSA-N 283.331 3.506 30 20 CHED O/C(=N/[C@@H]1CCCC[C@H]1c1ccccc1)c1ccnnc1 328919836 SQLVNWMVWVBEPP-JKSUJKDBSA-N 281.359 3.508 30 20 CHED C=CCC(CC=C)C(=O)N[C@@](C)(C#N)CCc1ccccc1 132133523 JAQCLFSOLLQSOW-LJQANCHMSA-N 296.414 3.786 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@H]1CC1(C)C 329281655 NJUYPYHOMUCDIR-CKYFFXLPSA-N 266.385 3.523 30 20 CHED C=CCCCCCN[C@H](C)[C@@H]1CCCN(C2CCC2)C1 193549354 QZZHWEWDMIJGNB-IAGOWNOFSA-N 278.484 3.975 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OCC)cc1C 424591232 HPKPDFULGBNVRZ-UHFFFAOYSA-N 261.365 3.935 30 20 CHED Cc1ncsc1C/N=C(/O)c1coc(C2CCCC2)n1 328791488 MBOVSKNLGPTIMZ-UHFFFAOYSA-N 291.376 3.602 30 20 CHED CC(C)(C)C1=CCN(c2c(C#N)nnc3ccccc23)CC1 328794926 BRVMEGXWAWDPEV-UHFFFAOYSA-N 292.386 3.684 30 20 CHED CC(C)[C@@H](N=c1[nH]ccc(C#N)c1Cl)c1ccccc1 429185342 CWFCIGYKDYCISO-OAHLLOKOSA-N 285.778 3.838 30 20 CHED C[C@@H]1[C@@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)CCC[C@H]1C 329457466 NRZSXOXWWUWUCT-VOAKCMCISA-N 266.385 3.667 30 20 CHED C[C@H](CC1CCCCC1)/N=C(/O)[C@H]1CCc2n[nH]cc2C1 329936214 CYWCZCZCAOIMLS-OCCSQVGLSA-N 289.423 3.830 30 20 CHED C=CCOCC(=O)N(CC(C)C)[C@@H](CC)c1ccccc1 518395470 KNBUSQIBBPKQOX-KRWDZBQOSA-N 289.419 3.825 30 20 CHED C=CCN(CCC#N)CCOc1ccc(Cl)cc1Cl 428854775 CCCXBNGMDHYKLI-UHFFFAOYSA-N 299.201 3.774 30 20 CHED Cc1cccc2c(NCc3ccc(C#N)cc3)c(C#N)cnc12 81019156 JTNRHXBIWKUAHN-UHFFFAOYSA-N 298.349 3.899 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2coc(C3CCC3)n2)c1 194289166 UYKPDPDLMLRQLX-UHFFFAOYSA-N 294.354 3.590 30 20 CHED N#Cc1cccc(C2(NC(=O)Nc3cccc(F)c3)CC2)c1 338229676 KEASDJMEJUOJPF-UHFFFAOYSA-N 295.317 3.508 30 20 CHED C=CCSCCNC(=O)c1cc2cc(F)ccc2s1 194495265 CGWXEEHLGKDJDB-UHFFFAOYSA-N 295.404 3.689 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCCc2cc(N)ccc21 423342768 DEOGDBQMFYAWAC-GDZNZVCISA-N 258.409 3.837 30 20 CHED N#Cc1csc(C(=O)N2C[C@H]3CC[C@H]2c2ccccc23)c1 336126525 KBNMBEQQOXIZLB-DOMZBBRYSA-N 294.379 3.694 30 20 CHED N#Cc1nnc2ccccc2c1N1CC[C@@H](C2CCCC2)C1 333494909 DSRQWQZNSOFKRD-CQSZACIVSA-N 292.386 3.518 30 20 CHED Cc1cc(F)ccc1-c1noc(-c2cc(C#N)cs2)n1 517445994 AHMSQEHHRBQLEA-UHFFFAOYSA-N 285.303 3.784 30 20 CHED C=CCCCNCc1ccc(Sc2ccccn2)o1 513324446 FENWMCFIWHPSSS-UHFFFAOYSA-N 274.389 3.882 30 20 CHED COc1ccc([C@H]2CCN(Cc3cc(C#N)cs3)C2)cc1 92783611 YDHSAMSEAXDTFP-HNNXBMFYSA-N 298.411 3.618 30 20 CHED CSC1(CNc2ccc(C#N)c(Br)c2)CC1 235158957 VVEBSXBDYNEWAP-UHFFFAOYSA-N 297.221 3.628 30 20 CHED CC[C@@H](N/C(O)=N/CCC(C)(C)C)c1nc(C)cs1 330628948 ZYDHUAYBGPXBAF-LLVKDONJSA-N 283.441 3.842 30 20 CHED N#CC1CCN(c2ccnc3cc(F)c(Cl)cc23)CC1 334657125 QJTZKWQFIDFWJQ-UHFFFAOYSA-N 289.741 3.767 30 20 CHED Cc1cc(-c2nc([C@H]3CCCC[C@@H]3C)no2)ncc1C#N 331646622 LGHYRDAEAWHKIO-GWCFXTLKSA-N 282.347 3.605 30 20 CHED CC[C@@](C)(NCc1cc(C#N)ccc1F)C(F)(F)F 533066852 WCNFTCPBZQTPFM-GFCCVEGCSA-N 274.261 3.518 30 20 CHED CC[C@H]1CCCN1C(O)=Nc1cnn([C@H](C)CC)c1C 331125142 NJNSJVYYSRNINB-YPMHNXCESA-N 278.400 3.582 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@@H](C)CC[C@@H]1CC 436306749 JGUAJRHSOIFPLH-SIRPWMCASA-N 265.441 3.772 30 20 CHED Fc1ccc(C#CCN(CC2CCC2)CC(F)(F)F)cc1 438332211 CMFPSUKVOATXDO-UHFFFAOYSA-N 299.311 3.842 30 20 CHED CSc1cccc(N/C(O)=N/C[C@]2(C)CCCO2)c1C 330711851 VHGCVCIFQONYEK-HNNXBMFYSA-N 294.420 3.612 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C 529234724 VTSVZVUDUUHQKV-RDBSUJKOSA-N 264.413 3.505 30 20 CHED N#Cc1cc(F)ccc1NC(=O)NC1(c2ccccc2)CC1 435166849 VRVTXMOLFBKAQZ-UHFFFAOYSA-N 295.317 3.508 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CC[C@@H](CC)O2)CCCC1(C)C 347474688 WPBRDSNKOVSZGK-ILXRZTDVSA-N 279.424 3.537 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)C1C(C)(C)C1(C)C 436297840 WXQWPSOYFFHYGZ-IHRRRGAJSA-N 265.441 3.628 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCc3sccc32)C1 248830500 HIZNBTUJCKCVQQ-YRGRVCCFSA-N 260.406 3.797 30 20 CHED CSc1ccc(N[C@@H](C)c2ccc(C#N)cc2)nc1 347248654 BCRIBHXZYOFWKE-NSHDSACASA-N 269.373 3.848 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(C)n(C)c2C)CCCC1(C)C 347417030 CYZGYHDIKHQPLA-INIZCTEOSA-N 288.435 3.849 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)c1ccoc1C1CC1 602393109 RHBAPAPPIZFWFO-UHFFFAOYSA-N 298.317 3.775 30 20 CHED CCCN(C(=O)C1CCC1)c1cc(Cl)ccc1C#N 609285708 DFPCEHMTIDPKLS-UHFFFAOYSA-N 276.767 3.755 30 20 CHED N#Cc1cccc(CNC2(c3ccccc3F)CC2)c1F 341850458 DIKUQCHYGIRJDM-UHFFFAOYSA-N 284.309 3.615 30 20 CHED CCOc1ccc(Cl)cc1CCNC[C@@H](C)CCC#N 602575993 IBUPSFBPEMYBEW-ZDUSSCGKSA-N 294.826 3.811 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCc2c(Cl)cccc21 602523535 ZIRRRDJBZLPLJR-IAQYHMDHSA-N 262.784 3.857 30 20 CHED Cc1nsc(N[C@H](C)c2c(F)cccc2F)c1C#N 341560462 SJPBQSMSOLZPCK-MRVPVSSYSA-N 279.315 3.775 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CCC(C)(F)F 603690564 VBHRZUFJKIDNBX-UHFFFAOYSA-N 294.345 3.732 30 20 CHED C=CCCC(=O)N(CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 607094532 UOPXPNAYVPQPLV-HZPDHXFCSA-N 293.451 3.929 30 20 CHED CC1(C)COc2cc(NCc3cccc(C#N)c3)ccc21 527744691 JXBORXMOPYMQIB-UHFFFAOYSA-N 278.355 3.840 30 20 CHED Cc1cccc2sc(C(=O)N[C@@H](C)CC#N)c(Cl)c12 604573786 LQCNVWIIIJNKGG-VIFPVBQESA-N 292.791 3.895 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)/C=C\c2nc3ccccc3s2)C1 255873234 XTFMOEJLDDHSGN-PKJDGDQJSA-N 298.367 3.545 30 20 CHED C[C@H](CCC#N)CNCCc1cc2ccccc2o1 602554622 CFDCXEMRMIIVMO-CYBMUJFWSA-N 256.349 3.505 30 20 CHED CC(C)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1nc2ccccc2[nH]1 446822255 VOZBNDDBULOZJD-CPUCHLNUSA-N 296.418 3.932 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2c(Cl)cccc2Cl)C1 442722368 VFVJNXWIUBCRFD-GHMZBOCLSA-N 283.202 3.818 30 20 CHED C[C@@H]1CCCC[C@H]1CCNCc1ccc(C#N)s1 537300306 XGVVBERZNQDCIQ-OLZOCXBDSA-N 262.422 3.926 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)Cc1ccc(Cl)cc1 534426676 UQMHULYYLCIXSZ-CYBMUJFWSA-N 292.810 3.669 30 20 CHED CC[C@H](NC[C@@H](OC)c1ccccc1)c1ccc(C#N)cc1 447559833 BDRIVUXKSGXMBM-RBUKOAKNSA-N 294.398 3.987 30 20 CHED C=CCC1(C(=O)NCCCc2ccccc2)CCCC1 449046391 LVIXRYQOXOQYNH-UHFFFAOYSA-N 271.404 3.872 30 20 CHED C=CC[C@H](CO)CN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 538195462 UXKVEYMQEVKNJS-UKBAYJJMSA-N 287.447 3.733 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 444023309 PHPPNHKXDRQBJN-ILXRZTDVSA-N 293.455 3.782 30 20 CHED C[C@H](N[C@H](C)COc1cccc(F)c1)c1cccc(C#N)c1 538397102 PZLYMDLEQZXLKB-KGLIPLIRSA-N 298.361 3.815 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](CC(C)C)c1ccccc1 358058110 QFCUAARJQPLSFU-HOTGVXAUSA-N 272.392 3.625 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H](Cc1ccccc1)C(C)C 611250608 LCLZEACHWCSYEV-SJORKVTESA-N 286.419 3.556 30 20 CHED CCOC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(C)C 616094585 GAMZDCJWPXUCAT-QZTJIDSGSA-N 286.419 3.586 30 20 CHED N#CC1(CNC(=O)c2cc3c(Cl)cccc3s2)CC1 619546351 GKSCVJCNMQRGJM-UHFFFAOYSA-N 290.775 3.588 30 20 CHED C[C@H](NC(=O)NCCC1CCCCC1)c1cccc(C#N)c1 610348765 BDVJJHURLOTCOO-AWEZNQCLSA-N 299.418 3.889 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(O)c(C)c2)CCCC1(C)C 444639614 ZJPHCRLIDANKRJ-INIZCTEOSA-N 287.403 3.908 30 20 CHED COc1cccc2c1CC[C@@H]2Nc1nc(C)cc(C)c1C#N 610735169 RKPVHRVNOCHAKW-INIZCTEOSA-N 293.370 3.678 30 20 CHED CC(C)c1csc(CN[C@H]2CCc3ccc(C#N)cc32)n1 353269436 TXNMATZIDYBIFI-HNNXBMFYSA-N 297.427 3.915 30 20 CHED C=CCCCCCn1c(=O)oc2cc(Cl)ccc21 447305296 YVGOOFKXTIFCGX-UHFFFAOYSA-N 265.740 3.994 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1Cc1cc(C#N)n(C)c1 449733622 PGWKYMXHWGZFNX-SFHVURJKSA-N 297.377 3.681 30 20 CHED C=CCCC(=O)NCc1cc(Cl)sc1Cl 356893441 XHOCSDTWEUTZQN-UHFFFAOYSA-N 264.177 3.637 30 20 CHED C=C1CCN(C(=O)CCCOc2ccccc2Cl)CC1 264064710 DQBMMIOXNTUEJI-UHFFFAOYSA-N 293.794 3.678 30 20 CHED COc1cccc2c(N3CCC[C@@](C)(C#N)C3)cc(C)nc12 612106936 KBELAFGRVWHYQB-SFHVURJKSA-N 295.386 3.682 30 20 CHED C=CCC1(C(=O)NCC[C@H](OC)C(CC)CC)CCC1 358200059 LTBWHUBQQMUMMV-HNNXBMFYSA-N 281.440 3.690 30 20 CHED CC1(C)CCCN(Cc2cccc3cc[nH]c23)[C@H]1C#N 446974477 ISVBLYTZLANPLN-HNNXBMFYSA-N 267.376 3.682 30 20 CHED C=CCCCCCN(C)C(=O)c1cn(CCCC)nc1C 353352431 JUACRKCVWBNJSA-UHFFFAOYSA-N 291.439 3.810 30 20 CHED CC(C)(C)OCCCN(Cc1ccc(C#N)cc1)C1CC1 610681386 NPSCIJHCULJBFR-UHFFFAOYSA-N 286.419 3.728 30 20 CHED C[C@@H]1CC=C(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 455551170 SISHUULZQYQPFG-ABAIWWIYSA-N 288.778 3.767 30 20 CHED C[C@H](CC#N)N(C)C(=O)CC1CCC(C(C)(C)C)CC1 360499339 FTLFTBAXPXTAHO-WLYUNCDWSA-N 278.440 3.990 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1cccc(C#N)c1 610400249 QVOSXYXWAAFEQG-AYMQEEERSA-N 299.418 3.743 30 20 CHED N#Cc1csc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 611265377 BMAOKZZMEWQYCZ-MRXNPFEDSA-N 284.384 3.662 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(SC)c(Cl)c1 362672573 QWQGXEDSQKUZBR-QMMMGPOBSA-N 270.785 3.758 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 266950873 SUVIDDKVEMIJJZ-WPRPVWTQSA-N 285.174 3.515 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3ccc(O)cc32)CCCC1 618967533 AOJJYRDNWYEEPF-MRXNPFEDSA-N 285.387 3.632 30 20 CHED C=C(C)[C@H](CC(=O)NCc1c(C)cc(C)cc1C)OCC 535139870 AWAWWWRIRXURJD-KRWDZBQOSA-N 289.419 3.599 30 20 CHED C=CCC(C)(C)CNC(=O)NC(C)(C)c1ccc(C)nc1 458805468 AGOOYKYJTYIVBP-UHFFFAOYSA-N 289.423 3.527 30 20 CHED C=CCC[C@@H](CO)N[C@@H](CC)c1cc(Cl)ccc1OC 453376402 XBNJABSWDRUFPF-ZFWWWQNUSA-N 297.826 3.716 30 20 CHED C=CCN(C(=O)[C@H]1CC12CCSCC2)c1ccccc1 615003482 YVMLOMKNXCOVIK-OAHLLOKOSA-N 287.428 3.739 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)c(O)c2)CCCC1 450176107 YRBXDLOCRXSMNT-UHFFFAOYSA-N 259.349 3.776 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(COc2ccc(C#N)cc2)n1 547105755 SFWOTLNSYDZPBH-SWLSCSKDSA-N 297.358 3.814 30 20 CHED N#CC[C@H](CC(=O)Nc1ccccc1C#N)c1ccccc1 361437097 GTAOFNYFACBMOK-OAHLLOKOSA-N 289.338 3.584 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 617777166 JKDLZVQGULKTMQ-FHLIZLRMSA-N 299.414 3.613 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)COC3)CCCC1 450354253 KKNRELOJUCTXES-UHFFFAOYSA-N 271.360 3.792 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCOC(C)(C)C2)CCCCC1 457196185 ZSLWIFCNINKUDW-OAHLLOKOSA-N 293.451 3.834 30 20 CHED C=C(C)CCNC(=O)CCCOc1ccc(C)cc1C 452720320 WHEUDFRZGIRKBK-UHFFFAOYSA-N 275.392 3.545 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N[C@@H](CC)CC#N 547294334 MBZRTRRWAUUQKT-GJZGRUSLSA-N 264.413 3.791 30 20 CHED C=CC(C)(C)c1nc(COc2ccc(Cl)cc2)no1 453062361 FTEYDRUPVRCFQH-UHFFFAOYSA-N 278.739 3.766 30 20 CHED C=C(C)CCc1noc(Cc2cc(F)c(C)cc2F)n1 453188363 WSJYGJLJOJGZDD-UHFFFAOYSA-N 278.302 3.756 30 20 CHED C=CCN(CCc1ccco1)Cc1sc(C)nc1C 272230327 DMYMBKYNTRFYKJ-UHFFFAOYSA-N 276.405 3.584 30 20 CHED C=CCCC[C@H](C)NC(=O)N(Cc1ccccn1)C(C)C 540569090 PVYODUNNUNOTRA-HNNXBMFYSA-N 289.423 3.746 30 20 CHED C=C(C)COc1cccc(N[C@H]2CCO[C@H](C)C2)c1 272143290 PELITTNEAJHNLO-HIFRSBDPSA-N 261.365 3.621 30 20 CHED CC#CCCCC(=O)Nc1cc(SC)ccc1C 274361087 SGVFDARBXIOWOR-UHFFFAOYSA-N 261.390 3.849 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccccc1C(C)(F)F 455786983 KCAFVFFXGXOPAA-UHFFFAOYSA-N 295.333 3.812 30 20 CHED COc1cc(C)cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 271919548 DDSUFIZJOYPUDT-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED N#Cc1ccc(Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)nc1 276979540 YCWJNQQWDKAVPG-GUYCJALGSA-N 290.370 3.686 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 274347602 PXBZPKIOMIIYMQ-KSSFIOAISA-N 286.419 3.618 30 20 CHED Cc1cccc([C@H]2CCN(Cc3ccc(F)cc3C#N)C2)c1 544191808 KFXBOARORNLBMY-KRWDZBQOSA-N 294.373 3.995 30 20 CHED C=CCn1c(SC[C@@H]2C[C@H]3C=C[C@@H]2C3)nnc1C1CC1 629095756 VXMIFRNEBDLBBT-YUTCNCBUSA-N 287.432 3.646 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CCOCc1ccccc1 464846398 AVYYGNLYQQASMQ-INIZCTEOSA-N 294.398 3.768 30 20 CHED CC#CCSc1nnc(-c2ccco2)n1-c1ccccc1 463038663 ZBOIEHWBJXFNMJ-UHFFFAOYSA-N 295.367 3.643 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(OC(C)C)cc1 280720934 UYHCZXUJPWVPOU-SJLPKXTDSA-N 289.419 3.545 30 20 CHED CC(=O)[C@H](C)SCc1ccc(Br)cc1C#N 286438485 HRXDMEODSIXBFP-VIFPVBQESA-N 298.205 3.531 30 20 CHED CCN(CC(C)(C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 463020243 LOIMPLLNDCZNGO-ZDUSSCGKSA-N 272.392 3.556 30 20 CHED C=CCCN(C)C(=O)c1cc(-c2ccc(Cl)s2)on1 469893732 QEJYKCMWYQBJTC-UHFFFAOYSA-N 296.779 3.705 30 20 CHED CC1(C)CC[C@@H](NC2CCN(c3ccc(C#N)cc3)CC2)C1 556887508 YOILXCRSPISTRV-QGZVFWFLSA-N 297.446 3.695 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)[C@H](C)COC 462313838 JKGAVWGPNZWZDL-CVEARBPZSA-N 289.419 3.510 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1CCCSC1)c1ccccc1 553733461 BCICTSYFZVYLHB-GJZGRUSLSA-N 289.444 3.606 30 20 CHED CCC(CC)N(C(=O)Nc1cccc(CC#N)c1)C1CC1 556669842 DICGMGQJGWPACY-UHFFFAOYSA-N 285.391 3.938 30 20 CHED C=C[C@H](C)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 465102280 KKEQHKKSQBPMDU-MNOVXSKESA-N 285.309 3.890 30 20 CHED C=CCC[C@H](NCCCC(=O)N(CC)CC)c1ccco1 285692531 OODNAXIJONSISL-HNNXBMFYSA-N 292.423 3.525 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCCC(C)(C)C 553551967 WNILCVOIKPLYDO-HOCLYGCPSA-N 281.440 3.690 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1ccc(CC#N)cc1 469778633 FBBPOXAHRQWKBN-IRXDYDNUSA-N 288.460 3.907 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 464404756 MTWIOIWDVXPFOC-ZDSQKVDBSA-N 297.185 3.720 30 20 CHED CCC[C@H]1CCCCN1C(=O)[C@@H](C)c1cccc(C#N)c1 462592560 NPMWWHAATZWQLO-YOEHRIQHSA-N 284.403 3.843 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCC[C@H]1c1ccccc1 281374029 UAPSIHSKZOIXSG-KRWDZBQOSA-N 294.354 3.827 30 20 CHED CCCC[C@H](C)C(=O)N[C@@H](CCC#N)c1ccccc1 283511789 MNHLMKAJPHCJFP-HOCLYGCPSA-N 272.392 3.974 30 20 CHED C=CCC(C)(C)c1noc(CCSCCCC)n1 551493857 LZAPZUPHYUYHKS-UHFFFAOYSA-N 268.426 3.999 30 20 CHED CC(C)[C@@H](C#N)NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 470147609 GAFJWHGASXXRNM-MELADBBJSA-N 264.413 3.503 30 20 CHED C=CCCCCNC(=O)CSc1ccc(F)c(F)c1 471692145 JHAIHAGUZYSHQO-UHFFFAOYSA-N 285.359 3.529 30 20 CHED N#Cc1ncccc1N1CC[C@H](CSc2ccccc2)C1 290541736 FFTOMFZXCHHSBV-AWEZNQCLSA-N 295.411 3.572 30 20 CHED CCCCc1nc(CSCCO[C@@H](C)C#N)cs1 802749902 RDHIHKJSBBKCOK-NSHDSACASA-N 284.450 3.648 30 20 CHED CCc1ccc([C@@H]2CCN([C@@H]3CC[C@H](C#N)C3)C2)cc1 293684809 VYSQFEUCTSKKBJ-CGTJXYLNSA-N 268.404 3.731 30 20 CHED C=CCCCCNC(=O)[C@H](C)Oc1ccc(SC)cc1 471712890 LHRBKSRPAXUKMB-ZDUSSCGKSA-N 293.432 3.648 30 20 CHED CC[C@@H](NCCCCCN1CCCC1)c1ccc(C#N)cc1 293666318 JCEVIJFXPYSMQS-LJQANCHMSA-N 299.462 3.865 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(-c2ccccc2)ns1 477587660 LWUSEGFJDLZKCM-UHFFFAOYSA-N 287.388 3.850 30 20 CHED Cc1ccccc1-n1cnnc1SCC1(C#N)CCCC1 806582284 KJDNETAOTOUDJE-UHFFFAOYSA-N 298.415 3.752 30 20 CHED CCCN(CC1CCCCC1)C(=O)[C@](C)(C#N)CC 565324066 RHYGPQISQGDTKE-INIZCTEOSA-N 264.413 3.745 30 20 CHED CC(C)(CCC#N)CN[C@@H](Cc1ccccc1)C1CC1 562048071 QVJHZDPADYZKCK-KRWDZBQOSA-N 270.420 3.927 30 20 CHED C=CCCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C 479939054 HNRZMRYIXPYUGK-INIZCTEOSA-N 277.383 3.865 30 20 CHED CC[C@@H]1[C@H](C)CCN1c1ncc(Cl)c(C)c1C#N 475735322 SBIADCNJLCWLBZ-NOZJJQNGSA-N 263.772 3.540 30 20 CHED N#Cc1cc(COC(=O)c2sccc2Cl)ccc1F 803770218 JBHNHBIWFQIPIM-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C=C(CNCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 479973105 XMDXOWWQKJPTRR-UHFFFAOYSA-N 286.306 3.537 30 20 CHED N#CCCN[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 565652698 AAOQXOJTFWLLOH-HIFRSBDPSA-N 262.784 3.869 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C)c1nc(CC)no1 298075490 JSSUHMGJVOXINQ-GFCCVEGCSA-N 289.354 3.520 30 20 CHED O=C(/C=C\c1ccccc1C1CC1)c1ccnc(O)c1 806555750 IFYMLNSQKYIFST-FPLPWBNLSA-N 265.312 3.561 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)C1CCCCC1 473345518 ODBVIJFUGUYWTQ-ZDUSSCGKSA-N 285.391 3.957 30 20 CHED N#C[C@@H]1CC[C@@H](N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)C1 294162707 PMYZPCQUTBOFFN-UTRMSSBJSA-N 278.399 3.999 30 20 CHED CCC(C)(C)CC[S@](=O)c1cccc(F)c1C#N 566690270 JZOCRRAGZPNKBV-SFHVURJKSA-N 267.369 3.631 30 20 CHED C#CC[C@@H](NC[C@@H](OC)c1ccccc1)c1ccccc1 801937701 UFLOYABKQQFSJP-RTBURBONSA-N 279.383 3.728 30 20 CHED Fc1ccc(CNN=Cc2cccc3cc[nH]c23)cc1F 814807755 JWSGLUWYJIHQPE-UHFFFAOYSA-N 285.297 3.570 30 20 CHED C=C(C)C[C@@H](C)C(=O)NC1(C(F)F)CCCCC1 567533765 XQUMCIOSEFKYHM-LLVKDONJSA-N 259.340 3.673 30 20 CHED Fc1cc(NN=Cc2ccc3oncc3c2)cc(F)c1F 814864314 ZYCCIAQGQXYELP-UHFFFAOYSA-N 291.232 3.691 30 20 CHED Cc1cc(F)ccc1[C@H](C)NCc1cc(C#N)ccc1F 815595377 PMMROWIEQLVDAL-LBPRGKRZSA-N 286.325 3.996 30 20 CHED C=CC[C@H](C(=O)Nc1cnc(C)s1)c1ccccc1 489751155 KWELSBVXGOKJKK-ZDUSSCGKSA-N 272.373 3.750 30 20 CHED CC#CCCNC(=O)N[C@H](C)c1ccc(SCC)cc1 482994777 ZUVXRDKQVWZRIZ-CYBMUJFWSA-N 290.432 3.572 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@H]4[C@@H](C3)C4(C)C)c2c1 488058376 QDNWYATUDRYBHD-GASCZTMLSA-N 277.371 3.507 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2ccc(F)cc21 489676118 HJXPJKZCQPXFCR-LBPRGKRZSA-N 266.319 3.821 30 20 CHED C=CCOCCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 815092900 VBNXUELPMYHPSN-CQSZACIVSA-N 299.336 3.697 30 20 CHED N#CCCCC(=O)OCc1ccccc1Oc1cccnc1 812619192 ZQVBISQMWWKUPP-UHFFFAOYSA-N 296.326 3.611 30 20 CHED CC(C)C[C@@H]1CCCC(=NNC[C@H]2CCSC2)C1 811660217 JERFUQIKTYESFH-UONOGXRCSA-N 268.470 3.921 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1c(C)cc(C)cc1C 488815759 BHERTYOWWZDHOS-MRXNPFEDSA-N 271.404 3.721 30 20 CHED C=CCCCCOC(=O)c1ccc(C(F)(F)F)nc1 811011014 LEIAIVWXKGELMF-UHFFFAOYSA-N 273.254 3.614 30 20 CHED C#CCC1(OC(=O)Cc2c[nH]c3cccc(C)c23)CCC1 810745847 VGLSOGSFMBOPBN-UHFFFAOYSA-N 281.355 3.508 30 20 CHED C=CC[C@@H](C(=O)Nc1cccnc1C)c1ccccc1 489696696 KHUISVNMYZGMPS-OAHLLOKOSA-N 266.344 3.688 30 20 CHED C=CCC[C@H](NC(=O)NOC/C=C\Cl)c1ccccc1 811896580 YKZLTGJGEGTHGT-JOHMGYAOSA-N 294.782 3.677 30 20 CHED C=C(C)CNC(=O)C1(Cc2cccs2)CCCCC1 572688436 LIEDQMPAFVNUAA-UHFFFAOYSA-N 277.433 3.933 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1cc(C)oc1C 727258525 OKEWUSNQLGNTAG-UHFFFAOYSA-N 280.331 3.676 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCOc1ccccc1Cl 488845026 POCNSTWEEYGCGM-CYBMUJFWSA-N 293.794 3.676 30 20 CHED COc1cc(C#N)ccc1CN[C@H](C)C1CCCCC1 571722303 TYAIBRXINJZTBV-CYBMUJFWSA-N 272.392 3.625 30 20 CHED COc1cccc(O)c1C=Nc1cccc(Cl)c1F 812394697 WEOYSZQJYYMQGM-UHFFFAOYSA-N 279.698 3.944 30 20 CHED C=CCCCCCCCCNC(=O)[C@H]1CCC=CO1 813694718 BHMOVJHMEZRXOE-OAHLLOKOSA-N 265.397 3.712 30 20 CHED C#Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cn1 728799715 DMYUFHNASNVYKF-UHFFFAOYSA-N 291.137 3.622 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccc(C#N)cc1 814944098 QFFPVJJBDZFWST-UHFFFAOYSA-N 289.260 3.812 30 20 CHED CON=C(C)c1csc(-c2csc(C)n2)c1 729143874 UCCPLRXWUFNERO-UHFFFAOYSA-N 252.364 3.550 30 20 CHED CC(Cc1ccsc1)=NNc1nc2ccccc2[nH]1 729632724 GLPGOSAISVLLIC-UHFFFAOYSA-N 270.361 3.655 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@H](c1ccnn1C)C(C)C 657985725 HIOGOFNFVRVEDO-BRWVUGGUSA-N 289.467 3.884 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCCC[C@H]2C)CC1 651700781 SSLQIIGWHYDQAQ-WBVHZDCISA-N 264.457 3.585 30 20 CHED C#C[C@@H](NCc1sc(C)nc1C)c1ccc(Cl)cc1 491820202 QIMSJIRUWPFIEH-CQSZACIVSA-N 290.819 3.877 30 20 CHED CC#CCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 570121573 KFWIDOZIUGANBV-CHWSQXEVSA-N 296.197 3.579 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCCc2occc21 663679692 JKMKLSPCTOHJDO-CYBMUJFWSA-N 276.380 3.701 30 20 CHED CC1(C)CC(=O)c2c(OCC3(CC#N)CC3)cccc2O1 664028893 HOXVNEOBPGWLLC-UHFFFAOYSA-N 285.343 3.503 30 20 CHED C=C(C)CN(C)Cc1c(C)nn(Cc2ccc(C)cc2)c1C 497097418 MDCPDQBNHPOPNC-UHFFFAOYSA-N 297.446 3.865 30 20 CHED C=CCCNC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 665947710 WRJUQODCBOLFEC-WFASDCNBSA-N 288.391 3.653 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCSc1ccccc1 494222137 CUKFOGBDWWAQNA-AWEZNQCLSA-N 290.432 3.529 30 20 CHED CCC[C@H](CC)C(=O)NCc1ccc(C#N)c(Cl)c1 822749503 GWCSBPZMOSCUCY-LBPRGKRZSA-N 278.783 3.654 30 20 CHED C=C(C)COCCN[C@H]1CC=C(c2ccc(F)cc2)CC1 498799822 JWATUFLPJDSPGL-SFHVURJKSA-N 289.394 3.944 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 498403402 IQSXXCJFYQLFCA-KBPBESRZSA-N 299.418 3.671 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cc(-c2cccnc2)ccc1C 491143935 HAJIJUOUXAFDPY-INIZCTEOSA-N 293.370 3.590 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1csc(C)c1C 908652736 PNJBLMDNXZAMKF-AWEZNQCLSA-N 291.416 3.505 30 20 CHED CCCCCCCC[C@H](N)c1nc([C@@H]2CCCOC2)no1 904693811 BYBNQTXVBXTPPB-KGLIPLIRSA-N 295.427 3.714 30 20 CHED C=CC[C@H](CC)NC(=O)NC(C)(C)c1ccccc1 494681911 WASSJXCCNUJRSE-AWEZNQCLSA-N 260.381 3.576 30 20 CHED CC1=CC[C@H](NCc2ccc(C#N)c(Cl)c2)CC1 585726440 CHWMSXGXVOPAMQ-AWEZNQCLSA-N 260.768 3.800 30 20 CHED COc1cccc(/C=C2\COc3ccc(C)c(C)c3C2=O)c1 737444414 RGUGFJDSODCVEE-OQLLNIDSSA-N 294.350 3.971 30 20 CHED C[C@H]1CCC[C@@H](N2CCC(=NNc3ccccn3)CC2)C1 733746414 NSMBHAMNHWLNSI-GOEBONIOSA-N 286.423 3.524 30 20 CHED C=CCC1(NCc2cc(F)cc3c2OCOC3)CCCC1 661851296 PORLVPIWIUMOMS-UHFFFAOYSA-N 291.366 3.671 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 584816329 QRIRGBYOFSDJLO-YPMHNXCESA-N 261.365 3.622 30 20 CHED C=CCCNC(=O)Nc1ccc(OC2CCCC2)cc1 665520966 GFOWKTDXXFYSHF-UHFFFAOYSA-N 274.364 3.706 30 20 CHED C=CCOc1ccccc1C(=O)N(CC)C[C@H](C)CC 490870567 HWFXJVSLMYDDMF-CQSZACIVSA-N 275.392 3.760 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 588158872 WGBWVSWHBLHTDA-ZWKOTPCHSA-N 298.430 3.988 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cc(Cl)c(Cl)cc1O 903106873 XLFMIVANCZWZLJ-QMMMGPOBSA-N 285.174 3.653 30 20 CHED CCc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc(Cl)n1 905928495 CDAJYFUOHLISST-GWCFXTLKSA-N 292.766 3.537 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)NCC(C)(C)CCC#N)CC2 588341029 KPUFKDLUWBEBAF-MRXNPFEDSA-N 299.418 3.612 30 20 CHED CC(=NNc1cc(C)ncn1)c1ccc(C(F)(F)F)cc1 731935609 INQUHTLQQRGPRQ-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C=CCN(Cc1ncsc1Br)C(C)(C)C 661757677 KRMMRIYWWLKUBA-UHFFFAOYSA-N 289.242 3.692 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 735066613 SKTKVEMVIWHDOV-ZDUSSCGKSA-N 282.387 3.789 30 20 CHED CC(C)CN(CCC#N)C(=O)C1=CCC(C)(C)CC1 836497459 NXRPOEJDSRFRGK-UHFFFAOYSA-N 262.397 3.521 30 20 CHED COCC(CC(C)C)=NNc1ncccc1C(F)(F)F 730727982 DVEMBPQIVUFNCG-UHFFFAOYSA-N 289.301 3.561 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)C#CC(C)(C)C 837352728 NYJVZBIDWWCGSD-UHFFFAOYSA-N 273.376 3.770 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC1(c3ccccc3F)CC1)CC2 584690459 MEWRZJJNQDYUNP-GOSISDBHSA-N 292.357 3.964 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NN[C@H](C)C(F)(F)F 834997307 BLDJNXWOXHDHPF-IVZWLZJFSA-N 250.308 3.729 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2Cc2ccccc2Cl)c1 587446714 XCKDJCZUBNUVJC-OAHLLOKOSA-N 297.789 3.818 30 20 CHED C#CCCCCCC(=O)N1CC2(CCCC2)[C@H]1C(C)C 837190469 JXECNBPOBHQBDS-QGZVFWFLSA-N 275.436 3.997 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(C(F)F)cc1 837864837 RZMLPRMLJVUTBN-UHFFFAOYSA-N 254.276 3.880 30 20 CHED Clc1ccc(-c2noc(NN=Cc3ccccc3)n2)cc1 732925436 LANMEWICXUXWBZ-UHFFFAOYSA-N 298.733 3.836 30 20 CHED COc1ccc(OC)c(C=NOCc2cc(C)cc(C)c2)c1 836836794 HYZYDVONBCEGIG-UHFFFAOYSA-N 299.370 3.871 30 20 CHED Cc1ccc(NN=C2CC[C@@H](CCC(C)C)C2)nn1 834955796 PERNAZVHGRXSSG-CYBMUJFWSA-N 260.385 3.789 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc2nc(C)sc2c1 839039891 SXECWQZFSWDTBY-SNVBAGLBSA-N 273.357 3.563 30 20 CHED CCCCOc1ccccc1CN1CCC[C@H](CC#N)C1 597175740 DILPLBLJRFPPHO-MRXNPFEDSA-N 286.419 3.991 30 20 CHED O=C(C#CC1CC1)N[C@@H](CC1CCCC1)c1ccccc1 837493935 SIRJCXMVWXKQJA-SFHVURJKSA-N 281.399 3.838 30 20 CHED C=C(C)CCOC(=O)c1cc(Br)cs1 744304612 SRYXAISIQWTWLB-UHFFFAOYSA-N 275.167 3.634 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(-c2ccccc2)cnc1C 677674837 MVYMQTAHGUBYKD-GFCCVEGCSA-N 281.359 3.753 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1cc(C)c(C)cc1C 916241286 ROWSIWSUJSDBQC-UHFFFAOYSA-N 282.391 3.855 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1snnc1CC 917871955 BBCMJEJKYYFQLB-GFCCVEGCSA-N 297.468 3.827 30 20 CHED C=CCN(C/C(Cl)=C\Cl)Cc1ccccc1 746500214 USERQHBGHKOGRH-UKTHLTGXSA-N 256.176 3.994 30 20 CHED N#CCCCCOC(=O)[C@H]1CC[C@H](C2CCC2)CC1 849899245 UHRLOMKRVVHBDT-SHTZXODSSA-N 263.381 3.830 30 20 CHED CC[C@]1(C)CCCN(C(=O)CC2(C#N)CCCCC2)C1 597310733 RQJVNUPMPDXWCQ-MRXNPFEDSA-N 276.424 3.889 30 20 CHED Cc1ncsc1C=NNc1nccc2sccc12 743438080 JRLHKWZHUHYWMP-UHFFFAOYSA-N 274.374 3.507 30 20 CHED N#CC1(CC(=O)Nc2cc(F)ccc2F)CCCCC1 598797285 KMWUWNAOCHCBOK-UHFFFAOYSA-N 278.302 3.767 30 20 CHED C=C[C@H](C)ON=C(C)CSc1ccccc1[N+](=O)[O-] 844621838 OGXUVYBUJSOOCZ-NSHDSACASA-N 280.349 3.654 30 20 CHED CCCCCCCOC(=O)CC[C@@H]1CC[C@@H](C)O1 744047019 KPSRCXHMOSGYMI-KGLIPLIRSA-N 256.386 3.848 30 20 CHED CC(C)N(C)c1ccccc1NC(=O)CCCCCC#N 591833173 RZJQWGCJKAAEQJ-UHFFFAOYSA-N 287.407 3.944 30 20 CHED Fc1cccc2c1CC[C@H]2NN=C1CCC(F)(F)CC1 842535964 KYOPRJDLEQJTGF-CQSZACIVSA-N 282.309 3.968 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](CC1CCC1)c1ccccc1 845625713 YOWJFGACEATAIO-CZUORRHYSA-N 288.391 3.723 30 20 CHED CCOc1ccc(/C=N/CC2(OCC)CCCC2)c(O)c1 840705094 DUMGZJHTTDXQSA-LDADJPATSA-N 291.391 3.559 30 20 CHED COc1ccc2c(c1)CCCN2CCCC(C)(C)C#N 746656316 XIRXMZAVLRVYNJ-UHFFFAOYSA-N 272.392 3.778 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C#N)ccc2Cl)C1 598299925 XCMMRGGYTYGNST-VXGBXAGGSA-N 290.794 3.862 30 20 CHED Cc1cccc2cc(C(=O)Nc3cc(C#N)ccc3O)oc12 748411616 WDUKYBQGRPWOTL-UHFFFAOYSA-N 292.294 3.571 30 20 CHED C#CCCCNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 746527807 VVSDUWKFTACWTK-SNVBAGLBSA-N 284.186 3.627 30 20 CHED COCc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1 741842062 DHLOAGNWDFJJMU-PXNMLYILSA-N 284.286 3.588 30 20 CHED C=CCN(C(=O)c1ccc(-n2cccc2)cc1)C(C)C 915153143 CLJDYBOFVBSBAL-UHFFFAOYSA-N 268.360 3.514 30 20 CHED C=CCN(C(=O)CCCOc1ccccc1Cl)C(C)C 747632795 OFVVKASPEFDBOP-UHFFFAOYSA-N 295.810 3.922 30 20 CHED CCc1ccccc1NN=Cc1ccccc1[N+](=O)[O-] 915051292 CJQXSMMZJRPJIF-UHFFFAOYSA-N 269.304 3.603 30 20 CHED Cc1cc([C@H](C#N)C(=O)C[C@H](C)CC(C)(C)C)nc(C)n1 916880116 KNUVDASPWXFRRK-FZMZJTMJSA-N 287.407 3.732 30 20 CHED C=C(Cl)CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918779119 ZXKJPRMSBYDZRE-OCAPTIKFSA-N 295.654 3.802 30 20 CHED CSc1ccc(Cl)c(C(=O)OCCCC#N)c1 916598343 WSXIGOUSEPXWKD-UHFFFAOYSA-N 269.753 3.522 30 20 CHED CCCCCCCOC(=O)C[C@@H](C)n1nc(C)cc1C 918493615 CPWZVSOZHRYIDM-OAHLLOKOSA-N 280.412 3.965 30 20 CHED Cc1ccc(CCNC(=O)CC2(C#N)CCCCC2)cc1C 598142819 DAYCVJKYFWPDTK-UHFFFAOYSA-N 298.430 3.826 30 20 CHED C[C@H](c1ccccc1)N(C(=O)C#Cc1ccccc1)C1CC1 747371317 PLMSZYWHGQOLLQ-MRXNPFEDSA-N 289.378 3.790 30 20 CHED N#Cc1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)cc1 592442054 HIQVFXNUJODJBV-CQSZACIVSA-N 297.329 3.780 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1cccc(C)c1 745612240 UWTQMABFFQCWLQ-UHFFFAOYSA-N 282.347 3.814 30 20 CHED C#CC(C)(C)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 742076552 OXBGMHBDCMUJEF-STQMWFEESA-N 296.197 3.625 30 20 CHED CCN1CC[C@H](N(C)CCCCC2(C#N)CCC2)C[C@@H]1C 929779754 IJTQFSTXHDRZSE-IRXDYDNUSA-N 291.483 3.655 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCc2ccc(F)cc21 925375888 VBVPAYLGQFXOAZ-NHYWBVRUSA-N 260.356 3.731 30 20 CHED O=C(O)c1ccccc1NN=C/C=C\c1ccc(F)cc1 747755824 WQIMCPQYCNWGRW-SRYOLRMTSA-N 284.290 3.635 30 20 CHED CCCC(CCc1ccccc1)=NNCC(F)F 740763101 XLQPATWLOYTKTE-UHFFFAOYSA-N 254.324 3.630 30 20 CHED CO[C@@H](CC(C)C)C(=O)Nc1cc2ccccc2cc1C#N 841254529 ZLPVLWNNVSZWMQ-KRWDZBQOSA-N 296.370 3.711 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccccc1OCC1CC1 925108286 IQQYAFNQMZLDAQ-AWEZNQCLSA-N 286.419 3.893 30 20 CHED COc1ccnc([C@@H](C)N[C@H](CCC#N)c2ccccc2)c1 925602727 XGHXYNWBLSFFBM-RHSMWYFYSA-N 295.386 3.786 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC[C@@H]2C2CCC2)c(F)c1 853396364 HCQWIPYTXUIIDQ-LLVKDONJSA-N 277.299 3.712 30 20 CHED C=CC[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccncc1 921748637 YZPWKHXHBWCRQW-KBXCAEBGSA-N 294.398 3.812 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc(N2CCCC2)cc1 924647518 HKHIWUUKKINEBL-OAHLLOKOSA-N 285.435 3.705 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1CCc2ccc(Cl)cc21 858230413 XTWIPXRXVIDODY-YGRLFVJLSA-N 278.783 3.591 30 20 CHED CCc1ccc(CCC=NNc2cc(C)ccn2)cc1 758124500 MENKVMLZALBMPI-UHFFFAOYSA-N 267.376 3.983 30 20 CHED CC#CCCSc1nnc(NCc2cccs2)s1 920237170 XQLFFNOSNKCGOP-UHFFFAOYSA-N 295.458 3.717 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H](OC(C)C)C1 858114318 DWUCEWOKFAGEDF-OAHLLOKOSA-N 284.444 3.556 30 20 CHED CCOc1cc(C=NNc2cc(F)cc(F)c2)ccc1O 920376226 FOQDFIKUZZDWPF-UHFFFAOYSA-N 292.285 3.515 30 20 CHED CCN(C(=O)/C(C)=C/c1ccccc1Cl)[C@H](C)C#N 856074799 CYROSMRUUOUKEU-LMMOQWNQSA-N 276.767 3.504 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ncc(Cl)cn1 857220267 DRPXIVABPAVTMA-ZYHUDNBSSA-N 264.760 3.520 30 20 CHED CS[C@H](C)CCOC(=O)CC1(C#N)CCCCC1 851059423 APYNXELOQOOSRQ-GFCCVEGCSA-N 269.410 3.535 30 20 CHED C=CC[C@H]1N(C(=O)c2cnc(F)c(C)c2)CCCC1(C)C 857613186 NXFAGEVIAKRKJG-CQSZACIVSA-N 290.382 3.736 30 20 CHED C[C@H](CCc1ccc(O)cc1)N[C@H](C)CC(C)(C)C#N 924946200 MCZKGKKGQZZJRU-ZIAGYGMSSA-N 274.408 3.631 30 20 CHED C[C@@H](C/N=C/c1cc(Br)ccc1O)C1CC1 920177543 HPWNBZYYAOGYQV-HVIDBACLSA-N 282.181 3.620 30 20 CHED COc1ccc(CCNN=C2CCCCC2(C)C)cc1 757583764 GHMGHLYSCVQHTJ-UHFFFAOYSA-N 274.408 3.784 30 20 CHED Cc1ccnc(NN=C2C[C@@H](OCC(C)C)C2(C)C)c1 755905514 ISYDDJARWNRFCH-CQSZACIVSA-N 275.396 3.629 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C/c2ccc3[nH]ccc3c2)C1 855438310 FJDBHXOYUDPVNK-MNDMWVCDSA-N 294.398 3.996 30 20 CHED C=CCOC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 752168488 MYQSLDUGOIPPGB-LBPRGKRZSA-N 272.266 3.928 30 20 CHED Oc1ccccc1/C=N\[C@@H]1COc2c(Cl)cccc21 757525134 CZFWTOYBMHUNLK-RSQQOUAVSA-N 273.719 3.598 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H]1c1cccc(C)c1C 753250117 ZIFBNHRVYCJWOR-WBVHZDCISA-N 284.403 3.562 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)Cc1ccccc1F 851210710 XNTHXIHKEGRKFO-STQMWFEESA-N 291.366 3.876 30 20 CHED C=C(C)CNC(=S)Nc1cc(-c2ncco2)ccc1C 758258228 VDGVQKNWOPHFLP-UHFFFAOYSA-N 287.388 3.513 30 20 CHED CN(CCCCC1(C#N)CCC1)[C@@H](CO)CC(C)(C)C 930651688 ZIQFBXJDTGVQDD-OAHLLOKOSA-N 280.456 3.579 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccccc1Br 751520955 LQAZVENTAQZDME-NSHDSACASA-N 297.196 3.664 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CCCCc2ccccc21 759202365 XIRGEOPLWLZCGL-UHFFFAOYSA-N 296.330 3.532 30 20 CHED C=CCC1(NC(=O)CCCCCC(C)C)CCOCC1 855686485 JMVBHHFMCWISDV-UHFFFAOYSA-N 281.440 3.834 30 20 CHED CC(C)(C)OC(=O)N[C@H]1CCC(=NNc2ccccc2)C1 863064717 OYDIHINWEAEIDK-ZDUSSCGKSA-N 289.379 3.532 30 20 CHED Cc1ccc2c(c1)OCC/C(=C/c1cc(C#N)cs1)C2=O 763116856 QDWLFBGNEOCVMM-JYRVWZFOSA-N 295.363 3.977 30 20 CHED N#CCc1ccccc1CC(=O)NCCC1=CCCCCC1 766560732 VLXMNWHXJBATHK-UHFFFAOYSA-N 296.414 3.692 30 20 CHED COc1ccc(/C=C\c2cc(C=O)c(C)s2)cc1C#N 760264113 JTMKCPJKZOCVBX-HYXAFXHYSA-N 283.352 3.920 30 20 CHED CCC(=NNc1ncccc1Cl)c1ccc(O)c(F)c1 764683928 UZCZZSGFNASLGH-UHFFFAOYSA-N 293.729 3.806 30 20 CHED CC(=NNc1cccc(Cl)c1)c1cnc(C)s1 761251973 GUJXEZLZYMEVDC-UHFFFAOYSA-N 265.769 3.941 30 20 CHED C#CCCc1noc(-c2cc(-c3ccccc3Cl)on2)n1 762002505 YBBOJINQVBBCIP-UHFFFAOYSA-N 299.717 3.611 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccsc2C(F)F)C1 933014364 PNDJMZURSRKLLM-OTYXRUKQSA-N 298.358 3.888 30 20 CHED Cc1ccc(C=NNCc2cnc3ccccc3c2)s1 764775879 PSJPXPBJTKSXIS-UHFFFAOYSA-N 281.384 3.728 30 20 CHED CCC(CCc1ccccc1)=NN[C@@H]1CCOC(C)(C)C1 863108484 MMKHDJYYLZQRLS-QGZVFWFLSA-N 288.435 3.932 30 20 CHED CCC(C#N)(CC)C(=O)OCCOC1CCCCCC1 860197028 CEPLEPFCKAPULF-UHFFFAOYSA-N 281.396 3.599 30 20 CHED C#Cc1cccc(NC(=S)Nc2cc(O)c(C)cc2C)c1 762435114 ZZODCVGOMNCALP-UHFFFAOYSA-N 296.395 3.799 30 20 CHED CCCC(=NNCC(F)(F)F)C1CCCCC1 769812867 AXXRXYDILIMKQO-UHFFFAOYSA-N 250.308 3.875 30 20 CHED CCOc1ccc(C(C)=NNc2cccc(C)n2)cc1 863162045 QPDDRMJHXJUQSO-UHFFFAOYSA-N 269.348 3.625 30 20 CHED Cc1ccc(-c2cc3c(c([C@H](C)O)c2)OCC3)cc1C#N 863729746 MVQRDSPVTUAIMK-LBPRGKRZSA-N 279.339 3.522 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1nc(C)cc(C)n1 769566762 JLNGWFOKHWPHHC-GWCFXTLKSA-N 260.385 3.708 30 20 CHED C=C(C)CNC(=S)N[C@@H](CC1CCC1)c1ccccc1 777921835 FRTHGOKIMHKLAZ-INIZCTEOSA-N 288.460 3.958 30 20 CHED CC(C)(C#N)CCOC(=O)C(C)(C)Cc1ccccc1 776384934 IJWRKPQZJCTMKV-UHFFFAOYSA-N 273.376 3.738 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-n2cccn2)c(F)c1 779857727 OWNSKWFRBVQURD-UHFFFAOYSA-N 299.349 3.534 30 20 CHED C#C[C@H](CC)OC(=O)c1cn(CCCC#N)c2ccccc12 774208909 KWMCZUTYPVRFGA-CQSZACIVSA-N 294.354 3.514 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H]1CCO[C@H](c2ccccc2)C1 873620097 PFDJFPQMURTDDA-KGLIPLIRSA-N 296.313 3.661 30 20 CHED Cc1cscc1C/N=C/c1cc2ccccc2nc1O 775233371 BUQJVSWLVRQNET-REZTVBANSA-N 282.368 3.929 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC)cc1C 779897686 DCCQJLQTIZOLJA-UHFFFAOYSA-N 259.349 3.526 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1cccc2[nH]ccc12 771339993 SLOMLUJPATVDFL-UHFFFAOYSA-N 293.297 3.516 30 20 CHED C#CCOc1ccc(CNC2(Cc3ccccc3)CC2)cc1 775327108 VHFMPXSNBLGKAJ-UHFFFAOYSA-N 291.394 3.564 30 20 CHED C=CC(C)(C)CC(=O)OCc1cccc(C(C)=O)c1 884648938 MLDJXUUPOSRWRM-UHFFFAOYSA-N 260.333 3.535 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](CF)C2)CCCCC1 881602616 AGVDFGJYKMFAEH-CQSZACIVSA-N 267.388 3.721 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1ccc(Cl)s1 1127565577 VZGQGZDGAVJOLG-ZETCQYMHSA-N 281.720 3.784 30 20 CHED N#Cc1ccc(C2CCN(C(=O)CCCC3CC3)CC2)cc1 887700213 CWTJSXAKLUXILW-UHFFFAOYSA-N 296.414 3.845 30 20 CHED N#CC1(COC(=O)CCc2ccc(Cl)cc2Cl)CC1 775840696 JYIWYGFKQWWNJJ-UHFFFAOYSA-N 298.169 3.773 30 20 CHED CCC(=NN=c1cc[nH]cc1)c1cccc2ccccc12 780243869 ZOUDLZSSMALZOZ-UHFFFAOYSA-N 275.355 3.883 30 20 CHED CC(=NNC1CCCCC1)c1c(Cl)nc2sccn12 786042544 YQIQMUVBNRYHMW-UHFFFAOYSA-N 296.827 3.696 30 20 CHED CCOCCON=Cc1cc(Cl)cc(C(F)(F)F)c1 780241673 SQUWIKVDHJEVOG-UHFFFAOYSA-N 295.688 3.746 30 20 CHED C=C1CCC(C(=O)N(C)Cc2ccc(OCC)cc2)CC1 887670000 IPUVKWAARYPBAM-UHFFFAOYSA-N 287.403 3.790 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1cc(C)sc1C 785760723 YMHKWMRAUFVATM-HNNXBMFYSA-N 280.389 3.693 30 20 CHED Cc1ccc(F)c(/C=C2\Cc3cc(O)ccc3C2=O)c1 780187501 FOYUSAXJGGAIKR-MDWZMJQESA-N 268.287 3.662 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cc(C(=O)O)cs1 782200924 OTYZSCBXJIFXRB-HYXAFXHYSA-N 290.315 3.790 30 20 CHED CCc1noc(C2CCC(=NNC3CCCCC3)CC2)n1 786043032 FKQYHKYEWVNEGI-UHFFFAOYSA-N 290.411 3.568 30 20 CHED CO[C@@H](C(C)=NNc1cc(C)ccn1)c1ccccc1 782243537 YRIQCRVIARBXEC-INIZCTEOSA-N 269.348 3.566 30 20 CHED C=C[C@H](CC)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 1123073781 DNYGBQIIKDJLBP-ZYHUDNBSSA-N 274.389 3.799 30 20 CHED C=C1CCC(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 890443288 CUUKEAAJJXOQLP-UHFFFAOYSA-N 288.778 3.574 30 20 CHED C[C@@H](Cc1ccc(F)cc1)C(=O)OCCCC(C)(C)C#N 783214342 FFJINOROLXIKDJ-ZDUSSCGKSA-N 291.366 3.877 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 1138967052 XULLHZQYLZHVHA-SWLSCSKDSA-N 297.402 3.897 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)N(CC#N)c1ccccn1 892468977 FZMCGKPXENIAIF-CQSZACIVSA-N 285.391 3.545 30 20 CHED C=C[C@@](C)(O)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 896273267 JRSHYMRSQHXXEE-QGZVFWFLSA-N 286.375 3.514 30 20 CHED C#CCCCN(C)[C@H](C)c1nc2ccccc2s1 270987088 DHPPADZKSPQWAJ-GFCCVEGCSA-N 258.390 3.703 30 20 CHED Cc1ccccc1-c1cccc(C=NNc2cncnc2)c1 794973585 WLDRAJGYQGAMIY-UHFFFAOYSA-N 288.354 3.898 30 20 CHED CC[C@@H](C)NN=C(C)c1sc(C(C)C)nc1C 790184133 RKKQGIOABQUTNO-SECBINFHSA-N 253.415 3.687 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)c(C#N)c1 799339417 OJZLQWADZCMAQE-SUMWQHHRSA-N 284.403 3.908 30 20 CHED COCC[C@H]1CCCC1=NNCc1ccc(Cl)cc1 799881003 KJRRKBDMLKDLPW-CYBMUJFWSA-N 280.799 3.622 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 791059138 OMOZGLJMAVQOGF-CGTJXYLNSA-N 298.430 3.624 30 20 CHED CCc1cccc(C)c1NN=C1COCc2ccccc21 799493569 HPDZFMORAYFIEE-UHFFFAOYSA-N 280.371 3.904 30 20 CHED CC[C@@H](C)[C@H](NC(=O)c1ccc(C)c(C#N)c1)C(F)(F)F 799375450 AOMARGOLNUJULK-RNCFNFMXSA-N 298.308 3.574 30 20 CHED CCCCCCCCNC(=O)c1ncccc1Cl 794404174 IMROACCVRZMGBD-UHFFFAOYSA-N 268.788 3.825 30 20 CHED C=CCCCOC(=O)c1ccc(OC)cc1Br 735534103 HBGBWYRONXSGNY-UHFFFAOYSA-N 299.164 3.581 30 20 CHED N#CCC1(COC(=O)c2cccc(C3CCC3)c2)CC1 798834914 PCFYHKRJXWBXBJ-UHFFFAOYSA-N 269.344 3.805 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H](O)c1ccc(C)cc1 797064324 TUMUCNZJPZSWTJ-QBYUYEEZSA-N 261.409 3.607 30 20 CHED CC(C)(C#N)NC(=O)c1sc2ccccc2c1Cl 77024903 WNBSUPCBVQXNFQ-UHFFFAOYSA-N 278.764 3.587 30 20 CHED C#CCC(C)(C)C(=O)OC[C@H](OC(C)C)c1ccccc1 795528692 IWLILSLCORTOGC-INIZCTEOSA-N 288.387 3.745 30 20 CHED C[C@@H](NN=Cc1ccc(F)c(C#N)c1Cl)C(C)(C)C 793112767 WUODWUIMIZUJHF-SECBINFHSA-N 281.762 3.709 30 20 CHED CC1(CNN=Cc2ccnc3ccccc23)CCCC1 793082422 XTYISSGJRRSDOZ-UHFFFAOYSA-N 267.376 3.739 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccn(-c2ccccc2)n1 796474858 URKWCTHSOHFTOU-UHFFFAOYSA-N 284.359 3.518 30 20 CHED N#Cc1nc(NCC[C@H]2C[C@H]3CC[C@H]2C3)sc1Cl 1162351434 OMICFTXOALVRIV-GUBZILKMSA-N 281.812 3.906 30 20 CHED CC(C)c1cnc(NC(=O)CC#Cc2ccccc2)s1 1323876833 QYBUSSIQXKVCMQ-UHFFFAOYSA-N 284.384 3.647 30 20 CHED C=CCC[C@H](C(=O)NC/C=C/C1CC1)c1ccccc1 1324313817 YHBHGQHJJAIHIM-OZSKJFCKSA-N 269.388 3.819 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(C(C)(C)C)nn1C 1320068766 RNUBDAVHNAUVIW-GFCCVEGCSA-N 292.427 3.584 30 20 CHED N#Cc1cccc(C#N)c1NCCC[C@H]1CC1(Cl)Cl 1329645933 DUJALZDVXJKQEG-LBPRGKRZSA-N 294.185 3.816 30 20 CHED C#Cc1ccc(N[C@@H](C)c2nc(C(C)(C)C)cs2)nc1 1336516343 LLWPOMXREJGKFW-NSHDSACASA-N 285.416 3.990 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc2c1ccn2C 1337487698 FLNFBYLCYKXKJI-CQSZACIVSA-N 282.387 3.749 30 20 CHED C=CCCCOC(=O)c1cc(C)n(Cc2ccco2)c1C 1251923606 SIKOKXQSKPNJLS-UHFFFAOYSA-N 287.359 3.869 30 20 CHED CCc1cccc(N(C)c2nnc([C@H](C)CCC#N)n2C)c1 1339979075 PBIDPBPVFJNVAD-CYBMUJFWSA-N 297.406 3.553 30 20 CHED Cc1ccc(CC2CCN(c3cccnc3C#N)CC2)cc1 1330039277 BWBCBUXSRIMQIL-UHFFFAOYSA-N 291.398 3.721 30 20 CHED CCN(c1nnc([C@H](C)CCC#N)n1CC(C)C)C(C)C 1344849060 UBHJLWSEWJMVFE-CQSZACIVSA-N 291.443 3.576 30 20 CHED CC(C)(C#N)CCCOc1cc([N+](=O)[O-])c(F)cc1F 1346828763 LQEGCMQORBHLFY-UHFFFAOYSA-N 284.262 3.582 30 20 CHED Cc1ccc(C(=O)O[C@H](C)CC#N)c(Cl)c1Cl 1343397065 LWPRPUYPKHBIKW-MRVPVSSYSA-N 272.131 3.761 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1ccc(C#N)cc1 218084164 CEWXDSIRFGBGAK-CYBMUJFWSA-N 258.365 3.504 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(C#N)c1 1358244275 GEELAUICDLLLCB-RHSMWYFYSA-N 284.403 3.955 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1occc1C(C)C 1355120085 BWHJRSMTWGMFLC-ZDUSSCGKSA-N 261.365 3.974 30 20 CHED C=C(CC)C(=O)N(CCC)[C@H]1CCc2ccccc21 1519235122 WUSMNWOUYOAXSK-INIZCTEOSA-N 257.377 3.879 30 20 CHED CC(C)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 221386133 FWWFHPKYMIAVPV-DLBZAZTESA-N 256.393 3.863 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CCCc3c(F)cccc32)c1 1523954321 NWJRZZQVANWEDX-QGZVFWFLSA-N 294.329 3.505 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1524157185 NCKPDDXWSQVFEH-DOTOQJQBSA-N 284.403 3.578 30 20 CHED C[C@@H]1CCN(c2ncc(C#N)cc2F)CC12CCCCC2 1458333575 YCIJSHZKHYAYNI-CYBMUJFWSA-N 287.382 3.889 30 20 CHED Cc1oc(CSc2cccc(F)c2C#N)cc1C(=O)O 1600854019 PQRGJERXLQJLSB-UHFFFAOYSA-N 291.303 3.589 30 20 CHED CC1(C)C[C@]1(NCC1(CC#N)CC1)c1ccccc1 1460517872 OYNZMFWIPMYVDJ-KRWDZBQOSA-N 254.377 3.595 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccsc2C#N)c1 1531177377 QBNHJBZFYKVLHT-CYBMUJFWSA-N 298.411 3.598 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1nc(C(C)C)c(C(=O)O)s1 1609226313 MJMSJBWBMGNONE-VIFPVBQESA-N 296.392 3.506 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2Nc2cc(C)c(C#N)cn2)cc1 1472769419 NVKQUPYNHZZQFT-DLBZAZTESA-N 293.370 3.628 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCC(C)(C)C[C@H]2C)n1 1472717390 SXRCNEIZWVRHHN-DGCLKSJQSA-N 272.396 3.537 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCc2cccc(F)c21 1615967774 SCWVWAVABBBKBM-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CCO[C@H]1C[C@H](Nc2cc(F)cc(C#N)c2)C12CCCC2 1474666699 ROJIBVPVGMEJMW-HOTGVXAUSA-N 288.366 3.847 30 20 CHED C[C@@H](CCC1CCCCC1)Nc1cc(C#N)cnn1 1559104356 HLYJUORKVCTVLU-LBPRGKRZSA-N 258.369 3.509 30 20 CHED CCCC(CCC)C(=O)Nc1ccc(C#N)c(C#N)c1 228996567 OVKMIGUMPLJZCW-UHFFFAOYSA-N 269.348 3.585 30 20 CHED C=C(Cl)CNC(=O)C1CC(C)(C)CC(C)(C)C1 1634027857 GOWSXURCKSZGSG-UHFFFAOYSA-N 257.805 3.708 30 20 CHED CC1CCC(CNC(=O)Nc2sccc2C#N)CC1 1563024034 UXENIFKGPHJVCF-UHFFFAOYSA-N 277.393 3.568 30 20 CHED C[C@@H](CCc1ccc(O)cc1)NCC(C)(C)CCC#N 229689098 RZTNTNQEMNBCIL-AWEZNQCLSA-N 274.408 3.633 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1F)c1cc(F)ccc1F 1642292550 RMEWBRJLOTVYHW-CQSZACIVSA-N 291.276 3.934 30 20 CHED Cc1cccc2c1N(C(=O)Nc1ccc(CC#N)cc1)CC2 1657640957 DICQKDBKWVCRNZ-UHFFFAOYSA-N 291.354 3.656 30 20 CHED CNc1ccccc1CNCc1ccc(C#N)c(Cl)c1 1656146827 WVYYBPTZTRDTHV-UHFFFAOYSA-N 285.778 3.543 30 20 CHED C=C(Br)CN1CC2(CCC2)c2ccccc21 1653276143 FSYSWMLVTRFUDW-UHFFFAOYSA-N 278.193 3.837 30 20 CHED C=CC[C@H](N[C@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)O 1588747019 YBVWVCPBOHRCEX-KBPBESRZSA-N 297.757 3.549 30 20 CHED N#Cc1c[nH]c(-c2nc(C3CCCCCCC3)no2)c1 231028564 KHCQWKNZSMWFER-UHFFFAOYSA-N 270.336 3.764 30 20 CHED CCCC[C@H](C)[C@H](C)NCCc1ccc(C#N)cc1 1660257983 AREFRNHPTXYILP-GJZGRUSLSA-N 258.409 3.905 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 231777925 NOOVZXWWDDIVBH-VXGBXAGGSA-N 291.376 3.553 30 20 CHED C[C@@H](CCC1CC1)NC(=O)Nc1cc(C#N)c(F)cc1F 1680088710 VMQJUBYDBWCVGN-VIFPVBQESA-N 293.317 3.537 30 20 CHED C=CCc1ccccc1CN1CC2(CCC2)C[C@@H]1CC(=O)O 1776187943 IKHYJZULGRQQSB-KRWDZBQOSA-N 299.414 3.634 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(C)c(C(=O)O)c2)c1 1776127433 STPJZUGGIAFTJM-HJWRWDBZSA-N 280.323 3.898 30 20 CHED C=CCCCCCCCCNc1ncncc1C(=O)O 1776207925 JPYKJMZUJXGBFB-UHFFFAOYSA-N 277.368 3.503 30 20 CHED O=C(O)c1cc(C=NNc2ccc(F)cc2Cl)cs1 1776106442 FTVJCSWJHXDOBO-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C=CCCCCN1CCC([C@@H]2CCC[C@@H]2C(=O)O)CC1 1776207723 HQRAQTVKJUMRKM-HOTGVXAUSA-N 279.424 3.556 30 20 CHED Cc1ccc(Cl)cc1NC(=O)CNc1ccc(C#N)cc1 15122378 BEMDJBPJCPYHPM-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C=CCN(CC=C)Cc1cn[nH]c1-c1ccc(C)cc1 19722936 HYZWIQVEBIDTAX-UHFFFAOYSA-N 267.376 3.559 30 20 CHED Cn1ncc(CSc2cccc(C#N)c2)c1C(F)(F)F 158671991 QKDXBOAYEHTCBY-UHFFFAOYSA-N 297.305 3.603 30 20 CHED C=C(C)CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 160980524 JGAWHTZCPIZDQN-UHFFFAOYSA-N 284.334 3.557 30 20 CHED C=CC[C@H](C)N[C@H]1CCSc2c(F)cccc21 163316684 YPKHDZPUEXFABG-GWCFXTLKSA-N 251.370 3.917 30 20 CHED C=CCCSCC(=O)Nc1cccc(SC)c1 151964660 DHGFZMLYGJHLMC-UHFFFAOYSA-N 267.419 3.656 30 20 CHED CN(CCC#N)c1ccc(CN(C)C2CCCCC2)cc1 157504108 FRWVAMIRGXLPMH-UHFFFAOYSA-N 285.435 3.801 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1 209989710 PRRBEEGVLMLVEN-XGICHPGQSA-N 297.310 3.890 30 20 CHED C=C(C)CNC(=O)c1sc(C2CCCCC2)nc1C 547657395 JFFXTXIZINWYPZ-UHFFFAOYSA-N 278.421 3.805 30 20 CHED CCOc1ccccc1NCc1ccc(C#N)cc1 19903934 DDXHLQYZVUBLFT-UHFFFAOYSA-N 252.317 3.569 30 20 CHED N#CC1CCN(Cc2ccc(Cl)cc2Cl)CC1 32116305 NOEVKAYXENPNBU-UHFFFAOYSA-N 269.175 3.729 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)c(F)cc2F)c1 134859584 UIAFCGMIRWZNRT-UHFFFAOYSA-N 271.266 3.507 30 20 CHED CCc1ccccc1CN1CCCC(C)(C)[C@@H]1C#N 1170014154 QIDBNHZAPBJRGD-INIZCTEOSA-N 256.393 3.763 30 20 CHED Cc1ccnc(N(C)Cc2cccc(Cl)c2)c1C#N 135065812 JRDMQOCIXMAVAL-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C#CCCCCC(=O)N[C@@H](c1ccccc1)C(C)C 271371616 LASQQKIVUGFMPJ-QGZVFWFLSA-N 257.377 3.694 30 20 CHED C[C@H](NCCCCC#N)C12CC3CC(CC(C3)C1)C2 42312487 AXSNXYPXKQVOIB-SIGVMEELSA-N 260.425 3.875 30 20 CHED CC[C@H](O)c1ccc(OCc2ccccc2C#N)cc1 35628351 NYXGBXRHDRBTME-KRWDZBQOSA-N 267.328 3.581 30 20 CHED N#C[C@@H](NC(=O)c1ccc(F)cc1Cl)C1CCCCC1 40360250 OXUHDIOSOHQFTE-CQSZACIVSA-N 294.757 3.681 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)c(CC)s2)c1 45849863 VEYFEQCTDPXJHS-UHFFFAOYSA-N 269.369 3.853 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)Cc1cc(C#N)ccc1F 55386717 SDZLAQDAAGDSGS-MLGOLLRUSA-N 260.356 3.708 30 20 CHED N#Cc1cc(NCCc2ccc(Cl)cc2Cl)ccn1 61811604 VRAMMCMNJZKIGY-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)c1ccnc(C#N)c1 62016674 VBAUKKIARRSYBH-NSHDSACASA-N 271.751 3.804 30 20 CHED CCCCCCCCC(=O)N[C@H](CC(C)(C)C)C(=O)O 401436118 JVHUAJNPYNZSHO-CYBMUJFWSA-N 285.428 3.743 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cccc2ccccc12 320185279 AGJHMQBOXGVPBI-GDBMZVCRSA-N 269.388 3.818 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1cc(F)cc(C#N)c1 720281605 GVCIGKWZXZVMIQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCCCCCC[C@@H](C)NCc1snnc1C 384252671 MZMGVVXQNOXCKF-LLVKDONJSA-N 255.431 3.685 30 20 CHED CCCCCCCCC(=O)N1CCC(CC#N)CC1 397285427 OFRLNOULAAJUEJ-UHFFFAOYSA-N 264.413 3.889 30 20 CHED C#CCCCN[C@H](C)Cc1cccc(C(F)(F)F)c1 3634159 ZLWCFYKRUBXKGM-GFCCVEGCSA-N 269.310 3.639 30 20 CHED CC(C)N(Cc1ccco1)Cc1ccc(C#N)cc1F 299335652 CYJHJRAZMOAPBK-UHFFFAOYSA-N 272.323 3.701 30 20 CHED C[C@H](CC(F)(F)F)N[C@H](C)c1cccc(C#N)c1 224399315 SUMWSWMTGMJKIL-NXEZZACHSA-N 256.271 3.550 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1cccs1 178548429 GMDIYRYZJLYTKO-LLVKDONJSA-N 285.372 3.811 30 20 CHED N#Cc1c(NC(=O)CC2CCC2)sc2c1CCCC2 175046246 DIJNEPFSJPKZIF-UHFFFAOYSA-N 274.389 3.627 30 20 CHED Cc1ccnc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1C#N 343518936 SENWLBORQONSLV-HZSPNIEDSA-N 255.365 3.642 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C=C2CCC2)cc1 176377602 OQHQMSVEYXTGEN-UHFFFAOYSA-N 254.333 3.537 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1c1ccc(C)s1 114671175 MZGGLVOKZDCVGB-KBPBESRZSA-N 293.432 3.701 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 102228842 ZMXUOKMWLBCFPK-CYBMUJFWSA-N 291.391 3.626 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1 65984655 UWPHCLWRAZEYLO-UHFFFAOYSA-N 296.345 3.801 30 20 CHED CCc1ccc(CN(C(=O)NCCCCC#N)C2CC2)cc1 171449528 NFVMRAKSYTZLKA-UHFFFAOYSA-N 299.418 3.617 30 20 CHED C=CCNC(=O)c1cccnc1SCC1CCCCC1 115315623 MDVHGSOTROVMMT-UHFFFAOYSA-N 290.432 3.670 30 20 CHED Cc1ccc(CCCC(=O)Nc2cccc(C#N)c2)s1 175504820 COQPGYCXQJBOJV-UHFFFAOYSA-N 284.384 3.890 30 20 CHED CCC(CC)(CCO)CNc1ccc(Cl)cc1C#N 301415308 DVLCMCONTTUZCE-UHFFFAOYSA-N 280.799 3.812 30 20 CHED C=CCCN(C)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 409974057 NNWYXHYDYSTXLX-LLVKDONJSA-N 285.309 3.843 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCc1ccc(C#N)cc1F 308084468 DRBKFAJLVSXQQD-CQSZACIVSA-N 290.382 3.776 30 20 CHED C=C(C)CSCCC(=O)Nc1cc(Cl)ccc1OC 177871008 GOHUWBFWCTXSHS-UHFFFAOYSA-N 299.823 3.987 30 20 CHED Cc1cccc([N+](=O)[O-])c1NCc1cc(C#N)ccc1F 301463336 KDLLIYIXTJIWGF-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CN(C(=O)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 67933856 DGXJPGOQSAKGND-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C=CC1CCN(C(=O)NCC(C)(C)c2ccccc2)CC1 111452815 XLJPVHZLDFHNQZ-UHFFFAOYSA-N 286.419 3.572 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc(Oc2ccncc2)c1 116858831 NVKQSEQDVKXZBG-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)[C@H](C)c1ccccc1 301480897 RZNIDARCLVVSQG-QWHCGFSZSA-N 251.333 3.557 30 20 CHED C=CCOCCSCc1ccc(C(C)C)nc1C 419493689 NTTQFVZJTFJOCW-UHFFFAOYSA-N 265.422 3.949 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1cnc2ccccc2c1 23353595 KOJNPGFMPXJCGP-MDZDMXLPSA-N 299.333 3.758 30 20 CHED C/C(=C/C(=O)N[C@]1(C#N)CCC[C@H](C)C1)c1ccccc1 116798853 NSRXNBKOLSFVQG-MEMPGGEMSA-N 282.387 3.679 30 20 CHED C=C(C)CNc1cccc(I)c1C 300781141 RYKMDWWMZSJXAN-UHFFFAOYSA-N 287.144 3.588 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 110678880 ZGFXFPBYVVOQCM-GDPRMGEGSA-N 297.185 3.515 30 20 CHED N#Cc1ccnc(S[C@@H]2CCCc3ccccc3C2=O)c1 67429393 NBAUVZKAGCKMPW-OAHLLOKOSA-N 294.379 3.633 30 20 CHED N#CCCCCNC(=O)Nc1ccccc1CC(F)(F)F 174000558 VUTVJZLJJGEOCP-UHFFFAOYSA-N 299.296 3.607 30 20 CHED C=CCCC(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCCC2 303948848 SPUWHYSRBKOQHZ-CABCVRRESA-N 279.424 3.539 30 20 CHED CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)OCCCC#N 179598449 HZMVIRSRJAHLSV-AWEZNQCLSA-N 295.766 3.590 30 20 CHED CC(C)CC[C@H](Nc1ccc(C#N)nn1)C(C)(C)C 302001582 QMYURVSGCFSOLB-ZDUSSCGKSA-N 260.385 3.611 30 20 CHED N#C[C@@H](Sc1nnc(C2CC2)s1)C1CCCCC1 173942836 STJGDAUXLHXNJJ-LLVKDONJSA-N 279.434 3.980 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(F)cc1 173042615 VNJKIIZBLOVGBR-UHFFFAOYSA-N 297.333 3.772 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc(F)c(F)c1 66406802 JGEXUUMGIRTMDU-ALCCZGGFSA-N 290.313 3.882 30 20 CHED Cc1noc(C)c1[C@@H](C)C/N=C/c1cc(Cl)ccc1O 129584149 PQQXXIXFKKSIAE-PCYPHTAMSA-N 292.766 3.873 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](Cc1ccccc1)C(C)C 180478561 WQGOLCSNBMRPHM-INIZCTEOSA-N 259.393 3.536 30 20 CHED O=C(/C=C/c1ccc(F)cc1Cl)c1cccnc1 129880129 CRNWSEIMBYYTOD-GQCTYLIASA-N 261.683 3.770 30 20 CHED C#CCN(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 73387945 CTSDMUJRXPZIFK-HNNXBMFYSA-N 292.382 3.565 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc2c1CCC2 121515161 JAAHTPFGGIUQAC-UHFFFAOYSA-N 284.403 3.768 30 20 CHED CC(C)(C)SCCCC(=O)OCC1(C#N)CCC1 183900645 PWCWNWPNHBTELM-UHFFFAOYSA-N 269.410 3.535 30 20 CHED CC[C@@H](C#N)Nc1cccc(OCC(F)(F)F)c1C 122230550 BUNUFEZIHYPEFJ-JTQLQIEISA-N 272.270 3.650 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)s1 182025260 UXRUITVNHRCLMT-JTQLQIEISA-N 286.356 3.600 30 20 CHED C=CC[C@@H](C(=O)N1CCS[C@@H](CC)C1)c1ccccc1 189970398 GBVXGXLGCFVVGA-JKSUJKDBSA-N 289.444 3.700 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1(SC)CCC1 413989159 QIDWIRWHMVYCCN-OAHLLOKOSA-N 289.444 3.576 30 20 CHED CC[C@H](C#N)Sc1nnc(Nc2ccccc2F)s1 127065657 TXBAYYBYQSYHLF-MRVPVSSYSA-N 294.380 3.815 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCCS1 412810461 APWQINRQDSGHGU-HZPDHXFCSA-N 289.444 3.576 30 20 CHED C=CCSCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1 129734020 GPSFVTGJEWBBBN-GHMZBOCLSA-N 267.360 3.616 30 20 CHED Cc1cc(C)c(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)o1 416111285 UOTPLQZFZAMUDG-MRXNPFEDSA-N 294.354 3.576 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCCO1 313485759 ATEDGTUOUIXMFI-CYBMUJFWSA-N 298.308 3.582 30 20 CHED CNC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 71850427 KDCMMZNULFWXCV-NYYWCZLTSA-N 299.757 3.596 30 20 CHED CCn1c(-c2ccc(C)c(OC)c2)nc2cc(C#N)ccc21 315848528 DARJRLLJAZFMMU-UHFFFAOYSA-N 291.354 3.912 30 20 CHED CC[C@H](C#N)Sc1nnc(C)n1[C@H]1CCC[C@H](C)C1 127919052 FFZJQEBWRBRKIU-WCFLWFBJSA-N 278.425 3.732 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCC1)c1ccc(Cl)c(Cl)c1 128287644 UHYHOQUVDLZWPW-SECBINFHSA-N 297.185 3.864 30 20 CHED CC[C@H](CC#N)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 184085151 UVFVURNJXLJJDW-CYBMUJFWSA-N 299.330 3.637 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Cc1cccs1 188452682 GXRCZVQOGNCLOJ-WFASDCNBSA-N 265.422 3.645 30 20 CHED CN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C(C)(C)C 416284966 GNWIBXBYHIELKI-IRXDYDNUSA-N 298.430 3.774 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 502573343 WPEFUNQPOGZBFA-ZJUUUORDSA-N 264.756 3.832 30 20 CHED C=C(C)CCc1noc(COc2cc(C)ccc2F)n1 508674548 ZMANJSZZJPRLFP-UHFFFAOYSA-N 276.311 3.605 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CC1CCC1 413830417 XPXLRZQPCIQSGO-QGZVFWFLSA-N 286.419 3.615 30 20 CHED CCc1oc2ccccc2c1C(=O)OCC(C)(C)C#N 180174780 MEXQHIKJTICVIF-UHFFFAOYSA-N 271.316 3.702 30 20 CHED CCCCC[C@H]1CCCN1c1ncc(C#N)cc1F 413191840 HSBWIGAFCLKBFF-ZDUSSCGKSA-N 261.344 3.641 30 20 CHED CC(C)[C@H](NCCCSCC#N)c1ccc(F)cc1 80722116 WCAUPOUHOFBKPX-HNNXBMFYSA-N 280.412 3.759 30 20 CHED C[C@H]1CCC[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 132789361 RWOXSDPIAWQHKO-IMJJTQAJSA-N 285.391 3.519 30 20 CHED CCc1ccc(CN[C@@H](CCC#N)c2ccccc2)o1 130525245 LKSJSQULVXBKQI-KRWDZBQOSA-N 268.360 3.977 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 190373880 UPRLFTPSINMWKU-GOSISDBHSA-N 295.386 3.993 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/CC2(C)CCCCC2)C1 328920732 LZOHDZLYJHZYTE-RYUDHWBXSA-N 266.385 3.668 30 20 CHED O=C1CCC(C(O)=Nc2ccc(C3CCC3)cn2)CC1 329273805 AVQAVLUGPDZHHJ-UHFFFAOYSA-N 272.348 3.696 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccccc2F)s1 134493075 WHLAMGVWGJRSHB-FNORWQNLSA-N 257.289 3.655 30 20 CHED Cc1coc(-c2cc(NC(=O)C3(C#N)CCC3)ccc2C)n1 130016217 VROXBGUVETUOFJ-UHFFFAOYSA-N 295.342 3.591 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)CCc1ccc(C#N)cc1 130678951 HFVPSUCMHZXDPX-AWEZNQCLSA-N 286.419 3.822 30 20 CHED CC[C@@H](CC#N)NCc1cc(Cl)ccc1Cl 135041546 NKDOFRAWCTVSDD-NSHDSACASA-N 257.164 3.775 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCC(C)=C(C)C1 516067569 BXQMCTUOCFCTAM-INIZCTEOSA-N 287.403 3.973 30 20 CHED COc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1C#N 87833189 GJJSGEFJHOTJJI-RDJZCZTQSA-N 284.403 3.721 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2cc(C#N)n(C)c2)C1 191382714 HEDPRFLPFNLJAB-FZKQIMNGSA-N 297.377 3.619 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1oc2ccccc2c1OC 424791779 KSTRDHNAIJEGTQ-UHFFFAOYSA-N 287.359 3.660 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2c([nH]c3ccccc23)C1 335736663 VEAWSFYNDCITHS-UHFFFAOYSA-N 282.387 3.655 30 20 CHED C/C(=C\C(=O)N(CC#N)c1ccccc1)c1ccc(F)cc1 195117291 SBFDMIGRYAGOLY-BUHFOSPRSA-N 294.329 3.786 30 20 CHED CC[C@@H](C)[C@@H](NCCOCCC#N)c1ccc(Cl)cc1 339070907 KQCNTFWWYBSBQQ-CZUORRHYSA-N 294.826 3.947 30 20 CHED CSc1ccccc1C(=O)/C=C/c1cccc2nccn12 194594014 DJRMKVCPSXWTNQ-MDZDMXLPSA-N 294.379 3.952 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(C(F)F)cc2)[C@@H]1C#N 335337057 XJCVKVXSFWQAIH-CYBMUJFWSA-N 292.329 3.779 30 20 CHED CCC[C@@H](C#N)NC(=O)c1sc2cccc(F)c2c1C 535852387 WGEVZMLVDGJRIC-JTQLQIEISA-N 290.363 3.771 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(C)s1 237753158 IDZYDYLGNDZHPT-UHFFFAOYSA-N 275.348 3.820 30 20 CHED CCN(CC)CCCC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 339082050 PAZRPMMYTLZJNC-ZWKOTPCHSA-N 291.483 3.513 30 20 CHED C[C@@H]1CCC[C@@H](N(C)CCCC2(C#N)CCOCC2)C1 337135254 MDEYLCFHFZRFMO-HZPDHXFCSA-N 278.440 3.597 30 20 CHED CC(C)c1ncsc1/C(O)=N/C[C@@H]1CCO[C@@H]1C(C)C 331295919 AEMWEYSRNCHGEV-WCQYABFASA-N 296.436 3.632 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(C)Cc1ccoc1 338808305 ONLJOLQZNIFPCS-CYBMUJFWSA-N 288.395 3.597 30 20 CHED C[C@H](N(C)Cc1ccc(O[C@H](C)C#N)cc1)C1(C)CC1 91900484 OZEYUOBQNSJDCI-KGLIPLIRSA-N 272.392 3.598 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCC[C@@H](SCC)C1 426053535 XOCMHKFACBMEMC-RRFJBIMHSA-N 296.480 3.801 30 20 CHED CN(CCc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 512701590 RELVCBVEZWEQGB-UHFFFAOYSA-N 284.790 3.886 30 20 CHED C=CC[C@H]1N(C(=O)C2CC(F)(F)C2)CCCC1(C)C 336523746 DEPJMAIRSLENMO-GFCCVEGCSA-N 271.351 3.625 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C1Cc2ccccc2C1 431478682 RKFFWVVEUYIRCC-UHFFFAOYSA-N 291.394 3.616 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(F)c1 533309343 LENSEEYCOHWFCZ-IIAWOOMASA-N 272.367 3.756 30 20 CHED Cc1ccnc(NC[C@]2(C)C[C@H]2c2ccccc2)c1C#N 338741146 NLCGQORMFFDVTH-WMZOPIPTSA-N 277.371 3.867 30 20 CHED CC(C)(C)c1ccc(N/C(O)=N/C(C)(C)C(C)(C)O)cc1 330767763 LUDPGYJCESZZQN-UHFFFAOYSA-N 292.423 3.860 30 20 CHED N#CCC(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 336321135 JKFOGBJJPUEJHB-UHFFFAOYSA-N 297.185 3.613 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(F)c2ccccc12 235418062 CPLKKBHVMVMGTL-LLVKDONJSA-N 257.308 3.673 30 20 CHED C=CC[C@H](C)NC(=O)NCC(C)(C)c1ccc(C)cc1 523937051 YRFNHQDNKWFBFD-AWEZNQCLSA-N 274.408 3.536 30 20 CHED CC[C@H](c1ccc(C#N)cc1)N1CCC(CCOC)CC1 527933643 HHAVWNNPGKKTHU-GOSISDBHSA-N 286.419 3.758 30 20 CHED C=CCC1(NC(=O)c2ccoc2Br)CCCC1 619110674 HVSOOQMURUHYOX-UHFFFAOYSA-N 298.180 3.661 30 20 CHED CNc1ccc(Cl)c(C(=O)Nc2ccc(CC#N)cc2)c1 341470000 ZDVAMQVKAVZRQH-UHFFFAOYSA-N 299.761 3.700 30 20 CHED C=CCC(CC=C)C(=O)NCCc1cccc2cccnc12 343612531 MIKXPZHLTXBZNZ-UHFFFAOYSA-N 294.398 3.662 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1C[C@H](c2ccccc2)C1 435596814 ZOFYNWHGCWOATL-QAQDUYKDSA-N 273.339 3.788 30 20 CHED COc1cc(CNCC(C)(C)CCC#N)ccc1SC 342314593 YEQMNMQRHKIOJB-UHFFFAOYSA-N 292.448 3.837 30 20 CHED CC(C)CN(CCN1CCCCC1)Cc1ccc(C#N)cc1 524082248 YEQACNWGVFMAEI-UHFFFAOYSA-N 299.462 3.502 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C2CC2)[C@H](C)C2CC2)cc1 245542565 QBBISBATMWCQJN-UONOGXRCSA-N 284.403 3.740 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cncc(CC)c1 344313072 CVVCWEMTYQIJGZ-UHFFFAOYSA-N 286.400 3.534 30 20 CHED N#CCCCCN1CCC(CCc2ccc(O)cc2)CC1 608832274 NPXVERAUHAAWTD-UHFFFAOYSA-N 286.419 3.731 30 20 CHED CC(C)(CCC#N)CNCc1ccc(OCC(F)F)cc1 342291381 FBRREXUMYCCFML-UHFFFAOYSA-N 296.361 3.750 30 20 CHED CC(C)n1ccnc1S[C@@H](C#N)Cc1ccccc1 603453824 ONKHZTYYWWKXCO-CQSZACIVSA-N 271.389 3.691 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2Nc2nccc(C)c2C#N)cc1 435575029 PTXCEPNJNPZHAJ-DOTOQJQBSA-N 293.370 3.628 30 20 CHED C=CCC1(C(=O)Nc2cc(OC)c(C)c(OC)c2)CCC1 349424606 DPJZJAXWQBPPLJ-UHFFFAOYSA-N 289.375 3.697 30 20 CHED Cc1cc(C(=O)COc2ccc(C#N)c(C)c2)ccc1F 434644098 FPTRBZDAEKQFRD-UHFFFAOYSA-N 283.302 3.576 30 20 CHED COc1ccc(-c2cccc(C3CCNCC3)c2)cc1C#N 600788378 KCKQRXOJUCGBEM-UHFFFAOYSA-N 292.382 3.701 30 20 CHED Cc1csc(NC(=O)c2ccc3ncsc3c2)c1C#N 344931762 SZMPZDZWJKNXAS-UHFFFAOYSA-N 299.380 3.790 30 20 CHED Cc1cc(NC[C@H](c2cccnc2)C(C)C)cc(C#N)n1 342510140 MBBFMSOBZGDVPJ-KRWDZBQOSA-N 280.375 3.508 30 20 CHED CCOc1cccc(/C=N\CC[C@@H](OCC)C(C)C)c1O 255623607 FJSMYXVQLCYDER-PWDRBQJJSA-N 293.407 3.661 30 20 CHED Cc1ccccc1OCCCNc1cccc(F)c1C#N 609192917 QNANYSNFZSUWQJ-UHFFFAOYSA-N 284.334 3.887 30 20 CHED COc1ccc(C(=O)/C=C\c2cccnc2Cl)cc1 255367780 VRNGRLFDNPCDEY-TWGQIWQCSA-N 273.719 3.640 30 20 CHED C=CCCCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 447596315 CFUPYRYKYRDABX-MRXNPFEDSA-N 274.364 3.918 30 20 CHED CCOCCC1(CNc2cc(C)nc(C#N)c2)CCCC1 342638639 RRRRBAYKTDOOHV-UHFFFAOYSA-N 287.407 3.661 30 20 CHED CCCN(Cc1ccc(OC)cc1)C[C@H](C)CCC#N 602443709 KJBRAIBVRBYASZ-OAHLLOKOSA-N 274.408 3.847 30 20 CHED CCCc1ccc(C(=O)/C=C\c2ccnn2CC)cc1 255057975 NMMZDYCOIUQKEO-KHPPLWFESA-N 268.360 3.752 30 20 CHED CC(C)CC(=O)Nc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 442877139 QYIOIFJQIZCKTK-BBRMVZONSA-N 285.391 3.775 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC(F)(F)C[C@H]2C)c1 529116738 KZAPEEVXZCFSIA-LLVKDONJSA-N 293.317 3.518 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 602676200 MEEFVZXSFYPFHS-XJKSGUPXSA-N 292.810 3.733 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(C)c1 355364325 JJZFXXZVBVGWGO-UHFFFAOYSA-N 299.761 3.814 30 20 CHED Cc1c(CN[C@@H]2CC[C@H](C#N)C2)oc2ccc(F)cc12 442785405 XOJRWZFNQXWFTB-WCQYABFASA-N 272.323 3.662 30 20 CHED CC1=CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 535966047 SZQDKYXHUJEKFJ-UHFFFAOYSA-N 279.305 3.709 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(SC(F)F)cc1 184852958 LYYRUMPERNARAJ-UHFFFAOYSA-N 283.343 3.989 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2ccccc2c1 184863724 XVEKNWWKTPBJMO-UHFFFAOYSA-N 251.329 3.828 30 20 CHED N#CC[C@@H](CC(=O)Nc1cc(F)ccc1O)c1ccccc1 356585766 ZABDDLFKUMRWNS-ZDUSSCGKSA-N 298.317 3.557 30 20 CHED C=CCCCNC(=O)N[C@@H](c1ccc(F)cc1F)C(C)C 447963422 JWBHTXDVJQKKEG-OAHLLOKOSA-N 296.361 3.927 30 20 CHED N#Cc1ccccc1NC(=O)C1(Cc2ccc(F)cc2)CC1 445566500 OHAYGMRUPJJIAE-UHFFFAOYSA-N 294.329 3.659 30 20 CHED C[C@H](SCC1(C#N)CC1)c1nc2ccccc2o1 351505672 BNGYQJBVRYRFKG-JTQLQIEISA-N 258.346 3.926 30 20 CHED Cc1ccnc(N[C@H](CCC#N)c2ccccc2)c1 269736182 UEFSBJGHPSQXCB-OAHLLOKOSA-N 251.333 3.847 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cc(F)ccc2OC(F)F)C1 442876828 YGWYYGPRWJEMPB-WCBMZHEXSA-N 270.254 3.531 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCC(F)(F)C2)c(Cl)c1 610877314 PLURALBDYQSQJM-VIFPVBQESA-N 299.708 3.521 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H]1OCCc2ccccc21 610278517 UWLWPJCCQMKZMT-MRXNPFEDSA-N 298.773 3.938 30 20 CHED C=CC[C@@H](CO)CN[C@H](CCC)C1CCCCC1 537095283 RVTXZYOAJWKIQB-GDBMZVCRSA-N 253.430 3.510 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)C1CCCCC1 350728525 CWHJTHHTXLWKSX-UHFFFAOYSA-N 274.412 3.501 30 20 CHED N#CCC[C@@H](NC(=O)[C@H]1CC12CCCC2)c1ccccc1 533370245 GXBFSHBUPSVUMW-HZPDHXFCSA-N 282.387 3.728 30 20 CHED C=C(C)[C@H](NC(=O)C1CC2(CC2)C1)c1ccc(F)c(F)c1 613611039 UZDIXEOWDGDRGO-HNNXBMFYSA-N 291.341 3.888 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)C1CCCC1 610520558 XUFAVASXJQYWHL-GFCCVEGCSA-N 286.375 3.722 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)C1CCCC1 610521873 WRQGWKWLFXEKLF-DYVFJYSZSA-N 276.424 3.791 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ncc(C(C)(C)C)s1)OCC 534422559 NVFVYWDPMLDMCN-LLVKDONJSA-N 296.436 3.750 30 20 CHED C=Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 617613241 BQPKGMUWROPVCM-ZDUSSCGKSA-N 276.339 3.692 30 20 CHED COC(=O)c1cccc(CS[C@H](C)C(C)C)c1C#N 534429270 ZPYMINGUOKVKOV-LLVKDONJSA-N 277.389 3.623 30 20 CHED Cc1ccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1 361502942 ZXFVVUUZXLWUSU-SFHVURJKSA-N 279.387 3.542 30 20 CHED C=C(C)CCc1noc(-c2scnc2C(C)C)n1 453178671 HYWLPGWUAROIGP-UHFFFAOYSA-N 263.366 3.825 30 20 CHED CC(C)[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1C(C)C 456348861 SDYBSGRKEZPLSZ-HDMKZQKVSA-N 288.435 3.599 30 20 CHED COc1ccc2c(c1)CC[C@@H](Nc1cccc(F)c1C#N)C2 612098360 POAPQCGCPQUSRF-CQSZACIVSA-N 296.345 3.675 30 20 CHED C#Cc1cccc(N(C)C(=O)c2csc(C(C)(C)C)n2)c1 264180102 YKRROUYLDCEKTJ-UHFFFAOYSA-N 298.411 3.699 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@]2(C)CCCCO2)c1 457546239 WTDHQLGVKJMEOZ-QGZVFWFLSA-N 289.375 3.539 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 612290018 GNFCWDVKPHRSEW-AWEZNQCLSA-N 295.745 3.637 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 363571516 ORWRLNGYSCQKAX-OAHLLOKOSA-N 291.439 3.866 30 20 CHED C=C[C@@H](CC(=O)NCC[C@H](C)CC)c1ccccc1 617638263 KCWXFDZRRYJHKH-CABCVRRESA-N 259.393 3.899 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)c2cccc(C#N)c2)C1(C)C 610364629 SGKNNQLYRLMYLD-KBRIMQKVSA-N 296.414 3.974 30 20 CHED C=CCN(C(=O)c1cc2cc(C)c(C)cc2o1)C1CC1 271318887 AJNNJNDOOFGMAP-UHFFFAOYSA-N 269.344 3.840 30 20 CHED C=C(C)CCN[C@H](c1ccc(Cl)cc1)c1nccn1C 453313970 HYXRFCNEIYYNEG-OAHLLOKOSA-N 289.810 3.719 30 20 CHED CC[C@H](N[C@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1 278158561 AUFLRLVETVNZIH-HOTGVXAUSA-N 272.392 3.557 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1ccncc1 270215444 YNQQZNACOPYTNA-UHFFFAOYSA-N 277.412 3.584 30 20 CHED C=CCSCCN[C@H](CC)c1ccc(C#N)cc1 278750130 NUSCSDHLVCCVFV-OAHLLOKOSA-N 260.406 3.518 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)c(SC)c1 457910381 JRUYDQFZMJCGNY-HNNXBMFYSA-N 279.405 3.958 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H]1CSc2ccccc21 452214007 KCHGJEHXHRVZMZ-WBMJQRKESA-N 275.417 3.594 30 20 CHED CN(C(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(F)cc1 540514369 LVKSLWLVAWTOBH-OAHLLOKOSA-N 296.345 3.561 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cccc(OC/C=C/C)c1 451419114 KRDDZTFQZUUHFL-RRGWEWPQSA-N 287.403 3.655 30 20 CHED C#CCOc1ccccc1CN[C@H](CC)c1ccccc1O 274978050 YXFBOOPMTPQXAN-QGZVFWFLSA-N 295.382 3.645 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc([C@@H]2C[C@H]3CC[C@H]2C3)no1 361025287 LTVWKLNAGVKXEO-GVAFMPQTSA-N 293.370 3.997 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC[C@@](F)(c2ccccc2F)C1 367224707 OFWJZEXXEMBURJ-GUYCJALGSA-N 293.357 3.825 30 20 CHED C=CC(C)(C)C(=O)N(C)C/C(C)=C\c1ccccc1 451168270 BDVFCRKSPDJDEN-OWBHPGMISA-N 257.377 3.761 30 20 CHED Cc1ccsc1CNC(=O)c1ccc(Cl)c(C#N)c1 543472431 GAKXBAXXDIAOQO-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C=CCCSCc1ccn(-c2ccc(F)cc2F)n1 549558724 LXOGWNSBWZAYHR-UHFFFAOYSA-N 280.343 3.960 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@@H](C)c1cccc(C)c1 543115783 WCEFOSVFUSHCIG-ZBFHGGJFSA-N 274.408 3.752 30 20 CHED C[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 542697234 LHUDQCZICROQBX-LBPRGKRZSA-N 297.333 3.623 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(SC)c1 466329348 ZEXLRDPPGITFDF-NSHDSACASA-N 264.394 3.885 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(OC2CCCCC2)c1 465103599 QEBOZECLHPWDHO-ZDUSSCGKSA-N 273.376 3.702 30 20 CHED C[C@H](CCC#N)Sc1nnc2sc3ccccc3n12 285208838 LWONWEWBNWCQND-SECBINFHSA-N 288.401 3.728 30 20 CHED C#CCCN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 284830885 BFYAGNWYMFKERI-KRWDZBQOSA-N 279.387 3.627 30 20 CHED C=CC1CCN(C(=O)CCc2c[nH]c3cc(C)ccc23)CC1 465124163 VYFKJSOADVGYSF-UHFFFAOYSA-N 296.414 3.834 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1nnn(-c2ccc(C)cc2)c1C 467412912 KRIJSMXDFGKPTN-ZBFHGGJFSA-N 298.434 3.889 30 20 CHED C=C(CNC(=O)C[C@@H]1C=CCCC1)c1ccccc1 286615660 GESBZTWRSKUSAG-OAHLLOKOSA-N 255.361 3.562 30 20 CHED C=C(Cl)C[S@@](=O)Cc1cccc(C(F)F)c1 280928791 IADLBCSRJZNBSG-MRXNPFEDSA-N 264.724 3.625 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CCC1(C)C)c1ccccc1 558025640 XCZUHAFIQWPODW-GJZGRUSLSA-N 257.377 3.651 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)oc1C(F)(F)F 281302573 JCHLQWSKJVPICO-VIFPVBQESA-N 275.270 3.691 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc3[nH]ccc3c2)no1 288863344 BZPQYKZFZOANCE-UHFFFAOYSA-N 265.316 3.519 30 20 CHED C=CCC(C)(C)c1noc(Cc2csc(CC)n2)n1 551139537 GXPIHQPEQYZNOL-UHFFFAOYSA-N 277.393 3.533 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 475397144 QKIKSVJPDUVJFE-HOCLYGCPSA-N 290.382 3.679 30 20 CHED Cc1cc(C)c(C#N)c(SCCCCCF)n1 556289352 BCRMNISMQFTGAZ-UHFFFAOYSA-N 252.358 3.802 30 20 CHED CCC[C@@H](C(=O)OCCCSCC#N)c1ccccc1 805366955 RMHZEQCVNRWOAT-OAHLLOKOSA-N 291.416 3.760 30 20 CHED CCC(CC)CNN=Cc1ccc(-c2cnn(C)c2)s1 800815968 VTHPUYVYIRYUQR-UHFFFAOYSA-N 290.436 3.508 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cc(F)c2ccccc2c1 555658766 FAQPCNLIAINVID-QGZVFWFLSA-N 284.334 3.647 30 20 CHED C=CCn1c(C)nnc1S[C@H](C)c1ccccc1F 298696068 ZYFJHRXMKFSBKG-SNVBAGLBSA-N 277.368 3.765 30 20 CHED C[C@H](CN(C)c1nc(Cl)c(C#N)s1)c1ccccc1 804425625 SGAXOIYSXWAJAU-SNVBAGLBSA-N 291.807 3.908 30 20 CHED CSC[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 292404399 LOSMSVNSYKQDKR-DZGCQCFKSA-N 274.433 3.694 30 20 CHED O=C(/C=C\c1cc(F)ncc1F)c1ccc(F)c(F)c1 806568619 ZXOFGGSHVVKNKA-RQOWECAXSA-N 281.208 3.534 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 644553132 KMXQVMQERNKGCT-AVGNSLFASA-N 279.346 3.557 30 20 CHED C[C@H](C#N)OCCSCc1csc(C2CCCC2)n1 802749620 IFALECDDWVMIAY-LLVKDONJSA-N 296.461 3.963 30 20 CHED CCc1ccc(N(CCO[C@@H](C)C#N)CC(C)C)cc1 801952964 HFRYLNDUZSRRLR-HNNXBMFYSA-N 274.408 3.640 30 20 CHED C#C[C@@H](C)NCc1cn(Cc2ccccc2)c2ccccc12 809683661 IUBHEEWXVZEVED-MRXNPFEDSA-N 288.394 3.801 30 20 CHED C=CCN(C(=O)c1cc(C)cc2c[nH]nc12)c1ccccc1 647741825 LBONWDDGJGXSBP-UHFFFAOYSA-N 291.354 3.704 30 20 CHED C=C(CNC(=S)Nc1ccccc1)c1ccccc1 806595004 RFICEZVBANZMQR-UHFFFAOYSA-N 268.385 3.686 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC2(CCC2)C1 472116798 BEUGNWZPTBPOAB-AWEZNQCLSA-N 264.413 3.707 30 20 CHED C=CCCCCOc1cc(CCC(C)=O)ccc1OC 642272450 DSUVPYRSXFXFAF-UHFFFAOYSA-N 276.376 3.952 30 20 CHED C[C@]1(c2ccccc2)CCC(=NN[C@@H]2CCSC2)C1 808003541 OTOXYDPWGDOKOE-CVEARBPZSA-N 274.433 3.579 30 20 CHED N#Cc1cc(CN(C#N)c2cccc(Cl)c2)ccc1F 478733328 APGIYTXULNLFCZ-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C[C@@H]1/C(=C\c2ccc([N+](=O)[O-])c(O)c2)C(=O)c2ccccc21 809158786 DELCFANKZDPRCX-CEITULEQSA-N 295.294 3.684 30 20 CHED CC(=NOC1CCC1)c1c(Cl)cccc1[N+](=O)[O-] 812236989 DKQMAIBVSZUJHP-UHFFFAOYSA-N 268.700 3.541 30 20 CHED Cc1cc(CN[C@H](C)[C@@H]2COc3ccccc32)ccc1C#N 488283675 UBVVIVFJBVCMHE-KDOFPFPSSA-N 292.382 3.521 30 20 CHED C=C(C)[C@@H](N[C@@H](CC)C(=O)OCC)c1ccc(F)c(F)c1 481616602 VUNGHOLFZMDQOV-LSDHHAIUSA-N 297.345 3.513 30 20 CHED C[C@@H]1CC(CCN[C@@H]2CCc3ccc(C#N)cc32)C[C@@H](C)O1 568451199 MXVNWCUQGQTXCU-PJIJBLCYSA-N 298.430 3.729 30 20 CHED CC(=NNC[C@H]1CCSC1)c1cc2c(s1)CCCC2 811657881 FFDJERUTXUCRJA-GFCCVEGCSA-N 294.489 3.694 30 20 CHED C[C@H](C#N)OC(=O)c1ccc(C(C)(C)C)c(Cl)c1 811260721 JREOLHXRHZVAQI-SECBINFHSA-N 265.740 3.706 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 815060384 SSOSYIVLRJHTHM-SUMWQHHRSA-N 272.367 3.697 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@H]1[C@H](C)CCC 574495159 YVZSXBUZMQSXMS-CABCVRRESA-N 290.455 3.822 30 20 CHED CCCCCC[C@@H](CC)C(=O)NC1(C#N)CCSCC1 813098053 OPOCSLAQBVETFF-CQSZACIVSA-N 296.480 3.889 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H]1CCc2ccccc2C1 488861613 RALUUGUKJSXTIB-QAPCUYQASA-N 283.415 3.749 30 20 CHED C1CCC2(C1)CCC(=NOC1CCOCC1)CC2 811648649 OIBZLYSINRQEOQ-UHFFFAOYSA-N 251.370 3.672 30 20 CHED CC1(C)CN(c2ccc(Cl)c(C#N)n2)[C@H]2CCC[C@H]21 572978519 LWSPJLAMDKQJLD-MFKMUULPSA-N 275.783 3.622 30 20 CHED Cc1nc(N2CCC[C@@]2(C)Cc2ccccc2)ccc1C#N 487723419 SSFQQCNULWLPJH-IBGZPJMESA-N 291.398 3.863 30 20 CHED C=CCCCCCN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 488461070 NNXFBOCFZFFQBC-BZSNNMDCSA-N 276.468 3.539 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 486494079 ZMZBXRGCMDFTCM-UAGQMJEPSA-N 286.419 3.977 30 20 CHED C=CC[C@H](NCC1Cc2ccccc2C1)c1ccncc1 811481123 OZCDWXKAUNTCIU-IBGZPJMESA-N 278.399 3.703 30 20 CHED C=CCn1c(C(C)C)nnc1N1CC=C(C(C)(C)C)CC1 576909932 OQAAGDMCVUQMEG-UHFFFAOYSA-N 288.439 3.770 30 20 CHED CC#CCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 483872499 SEXNCBXHOHHCQJ-UHFFFAOYSA-N 290.672 3.504 30 20 CHED CCc1nc(C=NNc2ccc(F)c(F)c2F)cs1 814946499 ODGRWXICFYECSP-UHFFFAOYSA-N 285.294 3.569 30 20 CHED CC(C)(C)OC(=O)N(CC=NOCCC1CC1)C(C)(C)C 814245061 IYSADUKZKHGLSJ-UHFFFAOYSA-N 298.427 3.825 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC[C@@H]2C)c(C)c1 729141053 SWUDOLKWPKDLKJ-NSHDSACASA-N 275.421 3.766 30 20 CHED C=CCCC(=O)OCc1cc(Cl)ccc1OC(F)F 726655854 WQDIFWMYYBQRNX-UHFFFAOYSA-N 290.693 3.951 30 20 CHED CC(CCc1ccco1)=NNc1cccc([N+](=O)[O-])c1C 727973512 OURMPHLHECJQEB-UHFFFAOYSA-N 287.319 3.917 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(C)ccc1C(F)(F)F 825436615 YLDAHGVUIFCIDU-SECBINFHSA-N 288.269 3.641 30 20 CHED CCN(Cc1cc(C#N)ccc1Br)CC(C)C 492372914 DIBIXZOZGDZUJG-UHFFFAOYSA-N 295.224 3.799 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(C)cc2OC)c1 726472989 XGWRLEMDMDZNNR-UHFFFAOYSA-N 296.395 3.794 30 20 CHED C=CC[C@H](NC(=O)Cc1cc(C)cc(C)c1)c1ccncc1 827862812 QOWZUJRZJADALS-SFHVURJKSA-N 294.398 3.675 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCc1ccc(F)c(F)c1)CC2 579179739 YXNPHGMHFAJGRW-SFHVURJKSA-N 298.336 3.656 30 20 CHED CC#CCCNC(=O)c1oc2c(C)ccc(C)c2c1C 498580640 NBXBFDFVKCTRFN-UHFFFAOYSA-N 269.344 3.501 30 20 CHED C=C[C@H]1CCCCN1C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 580928083 BCTIAJFNGDERNM-XXHRWZRVSA-N 291.410 3.862 30 20 CHED CCCCc1ccc(C(C)=NNc2ccc(C)nn2)cc1 729936593 WKHJPEHAWTUAJV-UHFFFAOYSA-N 282.391 3.964 30 20 CHED Cc1csc(-c2cccc(NC[C@H](C#N)CCC#N)c2)n1 584287615 UCUAHWGGHRMPOB-ZDUSSCGKSA-N 296.399 3.974 30 20 CHED C#CCOc1ccc(NC(=O)C=C2CCC(C)CC2)cc1 734103632 WROSWEUALMQAJH-UHFFFAOYSA-N 283.371 3.774 30 20 CHED C=CCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C 735527695 KRYPIGIMVKWYSF-UHFFFAOYSA-N 284.359 3.612 30 20 CHED Cn1ccc(C(=O)/C=C\c2cccc(OC3CCCC3)c2)n1 901543496 OGKPGOGTTLMXRW-KTKRTIGZSA-N 296.370 3.638 30 20 CHED Cc1ccc(CC(=O)OCCCCC2(C#N)CCC2)o1 909101269 SGENSDRNXBWBJK-UHFFFAOYSA-N 275.348 3.538 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc([N+](=O)[O-])c1Cl 905231734 RSVVTSZSBLFLLK-SECBINFHSA-N 282.727 3.789 30 20 CHED CCCCCCCCCC(=O)N1CCOC[C@H]1CC 734412037 HSUYZSFGOZVKJL-OAHLLOKOSA-N 269.429 3.765 30 20 CHED CCc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)s1 731151909 OXOUMAZIDLUUMM-UHFFFAOYSA-N 275.333 3.665 30 20 CHED C=CCn1cccc1C(=O)N(C)c1ccc(SC)cc1 490023722 CDKOQNRFUOOAOZ-UHFFFAOYSA-N 286.400 3.673 30 20 CHED CC1(C)CN(c2ccc(C#N)cc2)Cc2ccccc2O1 588861427 GIBNJRZTQVQKFB-UHFFFAOYSA-N 278.355 3.736 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](CC)OC2CCCC2)c1 733105203 VAKWWQZMGGPXJE-SFHVURJKSA-N 299.414 3.759 30 20 CHED N#CCCSCc1ccc(OCc2ccccc2)nc1 581617870 HKMNSPLWALDBOV-UHFFFAOYSA-N 284.384 3.807 30 20 CHED CC(=NNc1nccc2sccc12)c1cncc(F)c1 737429842 FOPRFJMWUSEZLQ-UHFFFAOYSA-N 286.335 3.667 30 20 CHED C#CCCCC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 837177363 LFTSSPZDJICNAQ-GOEBONIOSA-N 289.806 3.896 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)O[C@H]1CCC[C@H](C#N)C1 839057662 PNUMWIFXLFOHFW-STQMWFEESA-N 282.343 3.716 30 20 CHED C=C(C)CCNC(=O)N1CC=C(c2ccc(C)cc2)CC1 836578006 BCZYGYMPXVWCLU-UHFFFAOYSA-N 284.403 3.760 30 20 CHED C=CCC1(NC(=O)N[C@@H](CC)c2ccncc2)CCCC1 664210687 ZZTKWMMUBSETKA-HNNXBMFYSA-N 287.407 3.721 30 20 CHED Cc1cc(C(=O)OCCCCC#N)c2c(c1)[C@H](C)CCN2 837718947 ADCKARJXOHHMFI-CYBMUJFWSA-N 286.375 3.765 30 20 CHED C=C(C)C(C)(C)C(=O)OCCCCC1(C#N)CCC1 909400283 NEQNELQKZMIRHM-UHFFFAOYSA-N 263.381 3.996 30 20 CHED CC[C@@H](N[C@H](C)C(F)(F)F)c1cccc(C#N)c1 902995228 XFOLVTALVKMLPX-BXKDBHETSA-N 256.271 3.550 30 20 CHED CC(C)ON=C(C[C@@H]1CCCO1)c1ccc(F)cc1 835000037 HVDNIKIELMRGBW-AWEZNQCLSA-N 265.328 3.524 30 20 CHED C=C(CNC(=O)COc1cc(C)ccc1C)c1ccccc1 672480001 UGPIQKLVTLBACD-UHFFFAOYSA-N 295.382 3.512 30 20 CHED CCc1ccc(CON=Cc2ccc(C(=O)OC)cc2)cc1 735304816 PFKNHFNCGCUTMK-UHFFFAOYSA-N 297.354 3.586 30 20 CHED Cc1nc(/C=C2/COc3ccc(C(C)C)cc3C2=O)[nH]c1C 901465617 VBTBMGIWOGGRKA-ZSOIEALJSA-N 296.370 3.809 30 20 CHED CCCCCCCC(=O)NCc1cc(F)cnc1Cl 833363108 BOKANPJNMYZMLJ-UHFFFAOYSA-N 286.778 3.851 30 20 CHED CC1(C#N)CCC(=NNCc2cccc3cccnc23)CC1 834941411 PNTJQDFYUGSKTG-UHFFFAOYSA-N 292.386 3.784 30 20 CHED C=C(C)CN(C)C(=O)Nc1csc(-c2ccccc2)n1 672831408 LRZHTBCCXADBKK-UHFFFAOYSA-N 287.388 3.850 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2cccc(OC)c2o1 678895603 QLOBROPLFGQGLX-LBPRGKRZSA-N 287.359 3.916 30 20 CHED C=CC[C@H](NC(=O)Nc1ccccc1C)c1ccncc1 734677952 BMIWPJGHHRSKHO-INIZCTEOSA-N 281.359 3.829 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)/C=C/SCc2ccco2)C1 839057309 SJMMOMASKMFEAT-DZTBXEGKSA-N 291.372 3.652 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@@](C)(OC)C1CC1 839834769 JQQXZFRDZUTYKS-XJKSGUPXSA-N 269.429 3.667 30 20 CHED CCCN(C(=O)C#CC1CC1)[C@H](CC)c1ccccc1 837371865 HRWUKCIRPKEYIQ-QGZVFWFLSA-N 269.388 3.790 30 20 CHED CC[C@H](C)[C@@H](C=NNc1ncccc1C(F)(F)F)OC 834940429 GEAPYOCIGIICDZ-GXSJLCMTSA-N 289.301 3.559 30 20 CHED CCN(CC(C)(C)C)C(=O)CC1(C#N)CCCCC1 597687207 MKVFZFALSMUUMA-UHFFFAOYSA-N 264.413 3.745 30 20 CHED Cc1ccc(F)c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1F 839055987 OUEXRKHAJCAQMG-MNOVXSKESA-N 279.286 3.512 30 20 CHED CCCCCCCCNC(=O)Cc1cnccc1Cl 839711928 CIDMPCXBCBEUQK-UHFFFAOYSA-N 282.815 3.754 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1ccc2cnccc2c1 835337705 PTDXUZUURQBFCQ-GOSISDBHSA-N 299.370 3.620 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)CC1(C#N)CCCCC1 597228119 DKPBBBLOXKIBBS-QLFBSQMISA-N 276.424 3.791 30 20 CHED CC#CCN(C)Cc1ccc(OCc2ccccc2)cc1 741780800 KIXNQOIQZVDHJG-UHFFFAOYSA-N 279.383 3.721 30 20 CHED Cc1ccccc1C=NOCc1cc(C(=O)O)sc1C 832977688 PGALOUMDIHKSOR-UHFFFAOYSA-N 289.356 3.614 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccccc1OC(C)C 839540437 XWHVRKYMHHBFGB-LBPRGKRZSA-N 253.773 3.877 30 20 CHED N#Cc1ccc(C(=O)OCCC2(C#N)CCCCC2)cc1 840008939 LUHOJYTWQYLOSQ-UHFFFAOYSA-N 282.343 3.579 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](OC2CCC2)C1 594027706 YPFLTZFWUCXRQE-KSSFIOAISA-N 284.403 3.653 30 20 CHED FC(F)(F)c1ccccc1NN=Cc1ccccn1 916259812 MPDYVFAUABTIMU-UHFFFAOYSA-N 265.238 3.546 30 20 CHED CC(C)(CCC#N)CN1CCC([C@H]2CCCCO2)CC1 597226994 YUMVOABMXXZOEO-MRXNPFEDSA-N 278.440 3.597 30 20 CHED N#Cc1ccc(CCN2CCC[C@H]2c2ccc(O)cc2)cc1 595359559 MDSMWOAOXWNXFD-IBGZPJMESA-N 292.382 3.643 30 20 CHED CCC(CC)(C/N=C/c1ccccc1O)SC 743044657 NVTGPVQVSMSCGJ-XNTDXEJSSA-N 251.395 3.733 30 20 CHED Cc1ccc(C/N=C/c2cc3ccccc3nc2O)cc1 912775558 RYPPLQGMAYAYJP-XDHOZWIPSA-N 276.339 3.868 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](CC(C)C)c1ccccc1C 593463925 CLKHCUKYDXLPPB-HOCLYGCPSA-N 272.392 3.748 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1ccc(C)cc1C 842022600 YGNMJTCLFILGPL-UHFFFAOYSA-N 285.391 3.709 30 20 CHED Cc1ncsc1/C=C/C(=O)c1cnn(-c2ccccc2)c1 742433445 YDZCXVISBGAVRU-BQYQJAHWSA-N 295.367 3.533 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C)ccc2OC)cc1 747003290 HGOHLKQOEFVAKL-YFHOEESVSA-N 282.339 3.908 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1nc(C)cc(C)c1C#N 598858772 PHRODXJJFQNDLC-ZIAGYGMSSA-N 285.391 3.725 30 20 CHED C=CCN(CCC#N)C(=O)CCc1ccc(C(C)C)cc1 590039624 VXAVUHMCAVMNAR-UHFFFAOYSA-N 284.403 3.671 30 20 CHED CCC(=NNc1ccccc1Cl)[C@@H]1CCOC1 741836530 BTFABUUENVTYSX-SNVBAGLBSA-N 252.745 3.554 30 20 CHED CO[C@@H](C#N)c1ccc(-c2ccc(CCN(C)C)cc2)cc1 846780042 CWKORRJJBHIRTD-IBGZPJMESA-N 294.398 3.669 30 20 CHED CCC[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)OCC 599058795 GDTBXQKNEQKPPM-WFASDCNBSA-N 278.371 3.553 30 20 CHED COc1cc(C=NNc2ccccc2)cc(Cl)c1OC 916247361 RWAHBOFMWWNMCG-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CCn1cc(C=NNc2ccc(C#N)cc2)c2ccccc21 915962497 RROBWUMAJZDJTQ-UHFFFAOYSA-N 288.354 3.979 30 20 CHED C[C@@H](/N=C\c1cccc(O)c1O)c1c(F)cccc1F 917558836 ZSTUSXZQHJTQMF-YSUMALLGSA-N 277.270 3.556 30 20 CHED N#Cc1sc(NC(=O)CCCC2CCCC2)nc1Cl 841224441 PSZLVIUMPFFMLN-UHFFFAOYSA-N 297.811 3.967 30 20 CHED CC[C@H](NC(=O)C#Cc1ccccc1)c1cc(F)ccc1F 747402251 QKVNMRVOFVZQNF-KRWDZBQOSA-N 299.320 3.584 30 20 CHED CCC(CC)CN(CCC#N)CCc1ccc(C#N)cc1 595346880 MVZNYEPQFDOILG-UHFFFAOYSA-N 283.419 3.753 30 20 CHED CC(C)C1CCC(NC(=O)N2CCC[C@H](CC#N)C2)CC1 595561008 YKNHPSQXADIYDV-QQFBHYJXSA-N 291.439 3.536 30 20 CHED N#Cc1cccc(S[C@H]2CCc3ccccc3C2)n1 596364302 MZRUAYHTIYLQQG-HNNXBMFYSA-N 266.369 3.603 30 20 CHED CC#CCCCC(=O)N1CC(C)(C)[C@H]1c1ccccc1 680997112 QXWXSACVZBDNPX-QGZVFWFLSA-N 269.388 3.790 30 20 CHED CCCCCCO[C@H](C)C(=O)N(C)c1ccccc1C#N 841153727 RHBTYHBQMXPSDM-CQSZACIVSA-N 288.391 3.506 30 20 CHED COc1ccc(C(=O)/C=C\c2ccnn2C(C)C)c(C)c1 840722688 NGHFHPFYYYFWIU-YVMONPNESA-N 284.359 3.677 30 20 CHED CCCCCCCCOCC(=O)Nc1cccc(C)n1 741526056 NDEYVRVJLULLQL-UHFFFAOYSA-N 278.396 3.706 30 20 CHED C=C(Cl)COc1ccc(F)c2c1C(=O)C[C@H]2C 928545724 DWQJCBXDIDBXSZ-SSDOTTSWSA-N 254.688 3.647 30 20 CHED CO[C@@H](C=NNc1ccc(OC(F)F)cc1)CC(C)C 841623675 JPEQYYPWLFUYJR-CYBMUJFWSA-N 286.322 3.747 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/CCCc2ccccc2C1=O 849240095 FHGQCRWUAOYTSO-PTNGSMBKSA-N 292.382 3.900 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)c2ccnc(O)c2)cc1 752879357 UIOFUWUSRCHRMY-TWGQIWQCSA-N 281.355 3.981 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H](OCC)C1 754863980 HQEMZQVLWSRTBI-OAHLLOKOSA-N 284.444 3.557 30 20 CHED Cc1ccc(NN=Cc2cnn(C(C)(C)C)c2)cc1F 853438862 QSEGYHDHLOQEJG-UHFFFAOYSA-N 274.343 3.532 30 20 CHED C#CCCCOC(=O)c1cc(C2CC2)nc2ccccc12 751832777 RWINVIPRCZTCGT-UHFFFAOYSA-N 279.339 3.682 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1nnc(C)s1 758339171 SYWDHRCJEJMEGW-LLVKDONJSA-N 283.441 3.573 30 20 CHED C=CCSCCN[C@H](C)c1cc2c(cc1O)CCCC2 756681388 ITNGZNDNOMDSRL-CYBMUJFWSA-N 291.460 3.841 30 20 CHED COC[C@H](N[C@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 926438173 HYTNUPXNCUZRLC-DOMZBBRYSA-N 294.826 3.945 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](Cn1ccnc1)c1ccccc1 926864765 OMRMNTPFKDAOLF-NVXWUHKLSA-N 296.418 3.542 30 20 CHED Cc1cccc(C)c1C=NNCCCc1ccccc1 755696034 IGXMYOBKDLZBCL-UHFFFAOYSA-N 266.388 3.860 30 20 CHED C=CC[C@H](NCc1ccc2c(c1)CCCO2)c1ccncc1 921746368 AYOVKKZYHWXJID-SFHVURJKSA-N 294.398 3.814 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1ccc(Cl)nc1)O2 759116504 APFJEOXTAFDGCV-VGOFMYFVSA-N 285.730 3.968 30 20 CHED COC(=O)c1cccc(NN=C[C@H]2CC=CCC2)c1C 853397556 GRJKBRRGXFDXHC-ZDUSSCGKSA-N 272.348 3.536 30 20 CHED Cc1ccc(-c2cccc(C=NNC3CCOCC3)c2)cc1 757592797 NRGZXEKMHSCSEB-UHFFFAOYSA-N 294.398 3.765 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)nc1 851204097 JLLQXZUOCXGIJF-GFCCVEGCSA-N 274.364 3.690 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)O[C@@H](C)CC(C)(C)C#N 851204768 USWQKIQJAASXHB-XQQFMLRXSA-N 251.370 3.684 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1C#N 757472845 AJOPADDBGPGSTE-KXFIGUGUSA-N 299.276 3.741 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C(C)(C)C)C(F)(F)F 933660044 XGLPQGZZWYIIIK-MWLCHTKSSA-N 265.319 3.682 30 20 CHED C#C[C@H](OC(=O)c1cnc(C2CC2)s1)c1ccc(C)cc1 860964095 JJJHRRFQDGNHJY-AWEZNQCLSA-N 297.379 3.860 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)COc1ccc(C#N)cc1 768189079 VSGQCEMWZSPGKO-CQSZACIVSA-N 295.338 3.550 30 20 CHED C#C[C@@H](OC(=O)Cc1nc(C)sc1C)c1ccc(C)cc1 860962244 IDHCOAMGAPAQIF-MRXNPFEDSA-N 299.395 3.529 30 20 CHED CCCCNN=Cc1cc(Cl)cc2cccnc12 763168320 DWWBTBZIKQTRNB-UHFFFAOYSA-N 261.756 3.612 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C1CC1)[C@H](C)C(C)C 930620788 PFUKAHXPXCSHCP-CYBMUJFWSA-N 270.376 3.516 30 20 CHED Clc1cccc(CNN=CCCC2CCOCC2)c1 764909302 SXLXCHAJDSUWNF-UHFFFAOYSA-N 280.799 3.622 30 20 CHED C/C=C(/C=C\C(=O)OCc1ccc(C#N)cc1)CC 767656204 AECBJSBKPXHBRH-VWBNHAHASA-N 255.317 3.514 30 20 CHED Fc1ccc(NN=C2C[C@H]3CCCc4cccc2c43)nc1 763364283 RXBXUEFPFZFPHO-GFCCVEGCSA-N 281.334 3.861 30 20 CHED COc1ccsc1C(C)=NNc1ccc(Cl)nc1 769791408 PIFRSDOLWMUIKN-UHFFFAOYSA-N 281.768 3.641 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H](F)c1ccccc1 769373317 HORSBOJZBJSENI-MRXNPFEDSA-N 290.382 3.876 30 20 CHED COc1cc(F)c(C(C)=NNc2ccccc2)cc1OC 760218734 QQHOMQFNYHVURU-UHFFFAOYSA-N 288.322 3.679 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1ccc(C#N)cc1 768187639 PGBKUVXNTCVYBY-CYBMUJFWSA-N 265.312 3.785 30 20 CHED CCC(CC)(C(=O)OCC1(C#N)CCC1)c1ccccc1 768106596 ZYQVZJIPVLMSCQ-UHFFFAOYSA-N 285.387 3.981 30 20 CHED CCCCCCCCNC(=O)N1CCC=C(F)C1 764737497 AVGLPHNGZLVTMS-UHFFFAOYSA-N 256.365 3.616 30 20 CHED C=CC[C@H]1N(C(=S)NC(C)(C)C)CCCC1(C)C 766525958 SRODYZQTADSAGM-GFCCVEGCSA-N 268.470 3.726 30 20 CHED Fc1cccc(Cl)c1NN=Cc1ccsc1 769827167 QEFVLLCVXQJZBV-UHFFFAOYSA-N 254.717 3.987 30 20 CHED COc1cccc2cc(C=NNc3cccc(C#N)c3)oc12 767335993 KVDSHMFSXJADAO-UHFFFAOYSA-N 291.310 3.759 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H]1CCCC1(C)C 774226456 KQPQKMUCIZHLJI-HNNXBMFYSA-N 271.360 3.736 30 20 CHED N#Cc1ccc(Cn2nc(C(F)F)cc2C2CC2)cc1 871954949 FXIYNYXJPRXDGO-UHFFFAOYSA-N 273.286 3.618 30 20 CHED C=CCC[C@@H](C(=O)NCc1cccc(F)n1)c1ccccc1 777747983 POEHZRIBWJFDJC-MRXNPFEDSA-N 298.361 3.587 30 20 CHED Cc1cc(C)c(C#N)c(N(C)[C@H](C)c2ccc(F)cc2)n1 1115819291 RWWDWVFSMOQMST-CYBMUJFWSA-N 283.350 3.907 30 20 CHED C=CCC[C@H](C(=O)OCCCF)c1ccccc1 778559554 SKASSMHKXNPMEJ-AWEZNQCLSA-N 250.313 3.639 30 20 CHED C=CCCC(C)(C)NC(=O)CSCc1cccs1 1118796281 LSSYACZHSYTTDE-UHFFFAOYSA-N 283.462 3.842 30 20 CHED C#CCOc1ccc(F)cc1NCCc1cccs1 778613162 JSOIMSOSAWQCDM-UHFFFAOYSA-N 275.348 3.554 30 20 CHED N#C[C@@H](OC(=O)/C=C/c1cccs1)C1CCCCC1 776361576 RDFVKNRQJZEREV-MYSGNRETSA-N 275.373 3.777 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1ccc(C)s1 779821022 RNPRPGIOMBWJOO-UHFFFAOYSA-N 270.361 3.769 30 20 CHED C=CC(C)(C)CC(=O)Nc1csc(-c2ccncc2)n1 879488320 LTZMVANOVQNUDD-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cc(Cl)cc(Cl)c1F 870183101 RWMCUAYLXZJXRQ-SNVBAGLBSA-N 290.121 3.837 30 20 CHED CCCC1(C(=O)OCc2cccc(C#N)c2F)CCC1 774968722 HLLQCPHPTCOGSA-UHFFFAOYSA-N 275.323 3.711 30 20 CHED COc1ccc2sc(C(=O)OC[C@@H](C)C#N)c(C)c2c1 770930777 FVOBLCPTIDTPPH-VIFPVBQESA-N 289.356 3.535 30 20 CHED C#CCOc1ccc([C@@H](C)NCCCCCSC)cc1 775583085 XHMVAGIRSAGPAP-OAHLLOKOSA-N 291.460 3.883 30 20 CHED N#Cc1cccc(C(=O)O[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 771011724 UIZOYYJXDTXRJE-IIAWOOMASA-N 269.344 3.684 30 20 CHED COc1ccccc1C=NNc1nc2ccccc2cc1C 776785064 CGVWMCAUNCOMCP-UHFFFAOYSA-N 291.354 3.998 30 20 CHED C=C(CC)COC(=O)C[C@H](C)C(=O)c1cccc(F)c1 773521883 ZAJHFYITXVBITJ-LBPRGKRZSA-N 278.323 3.544 30 20 CHED CCCCCC[C@@H](C)NN=C1CCC[C@H](N(C)C)C1 788432843 DTNAVYPZLPHANS-ZBFHGGJFSA-N 267.461 3.795 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1c1ccccc1 780332987 JAPGMVCSCBXWLB-KRWDZBQOSA-N 269.388 3.934 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc(Cl)cc2F)c1 783511005 GJWCJNOAJXXLJI-UHFFFAOYSA-N 292.697 3.623 30 20 CHED N#C[C@@]1(C(=O)NCC2CCCCCCC2)CC12CCCC2 1125301686 VZADLBQVBJYVBT-GOSISDBHSA-N 288.435 3.937 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NNc2nccnc2Cl)C1 783515858 AFOBFCFJHRLYHD-SSDOTTSWSA-N 292.692 3.650 30 20 CHED COc1c(Cl)cccc1NCc1ccc(C#N)cc1 63470648 ZFQSTAPFSPWUPW-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(C)(C)C 787232743 ODGWJLOPWUHLDE-MLGOLLRUSA-N 299.418 3.527 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](c1ccccc1C)C(C)(C)C 788037877 DKQNUSATWSUYOG-GDBMZVCRSA-N 286.419 3.745 30 20 CHED Cn1ccc2c(C(=O)OCC3(C#N)CCCCC3)cccc21 780488321 XYTOQFUXDMYIIG-UHFFFAOYSA-N 296.370 3.809 30 20 CHED N#CC1(COC(=O)/C=C/c2ccc(Cl)cc2)CCCC1 780530692 NUVYBXJZPQQJBM-VMPITWQZSA-N 289.762 3.980 30 20 CHED C#Cc1cccc(N(C(=O)c2cnc(C3CC3)o2)C(C)C)c1 888795968 ZHZYXQPFCUWUTF-UHFFFAOYSA-N 294.354 3.589 30 20 CHED CCCCCCCC(=O)NC[C@H](c1ccnn1C)C(C)C 788258151 UQQIQPMEFACRAQ-HNNXBMFYSA-N 293.455 3.636 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 786610881 HWJYWQRCGNTOBI-NHYWBVRUSA-N 277.320 3.801 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(Cc1ccccc1)OC 780661999 MRXUQIDQHQKNMT-CQSZACIVSA-N 276.380 3.504 30 20 CHED N#Cc1ccc(NN=C2CCCOc3cc(F)ccc32)cc1 781589668 MFYSGVLCRQFFIL-UHFFFAOYSA-N 295.317 3.686 30 20 CHED C#CCC1(C(=O)NCC2(CC(C)C)CC2)CCCCC1 788225407 FLDUTUWIKUHZER-UHFFFAOYSA-N 275.436 3.903 30 20 CHED Cc1ncsc1/C=C\C(=O)c1ccc(C#N)cc1Cl 788360810 NYHVZVCJTSNILV-PLNGDYQASA-N 288.759 3.873 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccccc1SC)OCC 781252855 RCFPPBXPTWMOGH-AWEZNQCLSA-N 294.416 3.823 30 20 CHED C#Cc1ccc(NCc2ccc(O[C@H](C)COC)cc2)cc1 898498109 GOQHCVSYLYRCPG-OAHLLOKOSA-N 295.382 3.694 30 20 CHED C=CCCCCCOC(=O)c1cccc(CC#N)c1 783016812 ZOZLLHMHHRTXOO-UHFFFAOYSA-N 257.333 3.656 30 20 CHED N#C[C@H](OC(=O)c1cc(O)ccc1Cl)C1CCCCC1 785879121 XLGVGWKTRUFRRP-AWEZNQCLSA-N 293.750 3.675 30 20 CHED N#CC1(COC(=O)c2ncoc2-c2ccccc2)CCCC1 780533867 GJRNRIAJVHWWPY-UHFFFAOYSA-N 296.326 3.582 30 20 CHED COc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)c(C)c1 899350200 AKMVLOMFEBIXTK-VURMDHGXSA-N 284.359 3.677 30 20 CHED C=CC[C@H](C(=O)Nc1n[nH]c(C)c1Cl)c1ccccc1 790984148 VINBFMQUBWZAML-LBPRGKRZSA-N 289.766 3.670 30 20 CHED COc1cc(Cl)ccc1CNCc1cccc(C#N)c1 107719093 GGWRKEYKRZHUJP-UHFFFAOYSA-N 286.762 3.510 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C(F)F)cc2)cnn1C 794944930 IZWFMNZEHMWLQK-VMPITWQZSA-N 276.286 3.562 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C/c1cccc(F)c1)C2 794961653 QTJNLSAFEONFSC-AWNIVKPZSA-N 298.313 3.665 30 20 CHED 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CC(C)c1ocnc1COc1nc(C(C)(C)C)ccc1C#N 1349775529 HANPPZWHZSYWGA-UHFFFAOYSA-N 299.374 3.941 30 20 CHED C=CCC[C@H]1CCCN1C(=O)/C(C)=C\c1ccco1 1347520970 DQIPYHDWGKDIED-DINCDJDBSA-N 259.349 3.640 30 20 CHED CC(C)C1CCC(CNC(=O)c2ccsc2C#N)CC1 1435504952 WFGRGZQXARJEPS-UHFFFAOYSA-N 290.432 3.812 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C(C)(C)F)n1CC=C 1355977702 WWMRGRPDLXKTPS-CYBMUJFWSA-N 292.402 3.604 30 20 CHED C[C@@H]1C[C@H](OC(=O)c2cc(C#N)cs2)CC(C)(C)C1 1287290249 PRMSEQOCDQGECV-PWSUYJOCSA-N 277.389 3.991 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCC[C@H](C)CC1 1539772995 PXEZRVSALRTBSN-LBPRGKRZSA-N 296.846 3.780 30 20 CHED CCOc1ccc(C=Nc2cc(C(=O)O)ccc2C)c(O)c1 1605685564 STCDGJVHLOMUPU-UHFFFAOYSA-N 299.326 3.548 30 20 CHED Cc1cc(F)c(COC(=O)c2ccc(C#N)s2)cc1F 1460056879 KDPIAESUPYUETF-UHFFFAOYSA-N 293.294 3.563 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)O)c2ccccc2c1 1602837390 QTYFERZBTAGWQQ-LLVKDONJSA-N 298.342 3.624 30 20 CHED Cc1cc(C)cc(CCNc2ccc(C#N)c(C)n2)c1 1612010908 PKXIONRXNRUXEE-UHFFFAOYSA-N 265.360 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C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC(C#N)CC1 179215424 KWQRMTDZNLJZBJ-FMIVXFBMSA-N 288.778 3.505 30 20 CHED COCc1cccc(/C=C2\COc3c(F)cccc3C2=O)c1 172818119 HNULPFHNOVTNNZ-NTEUORMPSA-N 298.313 3.631 30 20 CHED CC[C@](C)(NCc1cc(C#N)cs1)c1nc(C)cs1 177705891 BRSRBLHZTNCMHA-AWEZNQCLSA-N 291.445 3.800 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)NCc1cccc(C#N)c1)C1CC1 175264451 KNWUDQCYLFQHNS-KGLIPLIRSA-N 299.418 3.667 30 20 CHED CC[C@H]1CN(c2ccc(C#N)nc2)CC[C@@H]1c1ccccc1 301509566 AITMMJJLXMADSQ-KXBFYZLASA-N 291.398 3.973 30 20 CHED N#Cc1ccc(N2CC=C(c3ccccc3Cl)CC2)nc1 301922588 JZCBNIDOUMJQKG-UHFFFAOYSA-N 295.773 3.900 30 20 CHED CCS[C@H]1CCCCN(c2ccc(Cl)c(C#N)n2)C1 301220474 BBMRCBWPYAARRH-NSHDSACASA-N 295.839 3.719 30 20 CHED CCC(CC)(CNc1ccc(C#N)c(Cl)c1)OC 310868413 LPKUVMIRRDGKJA-UHFFFAOYSA-N 266.772 3.829 30 20 CHED C#CCN(CCc1ccccc1)Cc1ccc(C)s1 302847956 MVUFCPVSCNQPGQ-UHFFFAOYSA-N 269.413 3.734 30 20 CHED N#CCC1(COC(=O)C2(c3ccccc3)CCCC2)CC1 174742898 JVSVHNDGWZLMTD-UHFFFAOYSA-N 283.371 3.735 30 20 CHED CCOc1ccccc1NC(=O)Nc1ccc(F)cc1C#N 119812744 MLXKSXSMXGGDIN-UHFFFAOYSA-N 299.305 3.740 30 20 CHED CN(c1ccc(Cl)c(C#N)n1)[C@H]1CCc2ccccc21 301566766 ZLPWOJGRBGPQRZ-HNNXBMFYSA-N 283.762 3.730 30 20 CHED CCCCC1CCC(Nc2ccc(C#N)nn2)CC1 301988336 LKLHMEIUOBKCKR-UHFFFAOYSA-N 258.369 3.509 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1coc2c(C)c(C)ccc12 116860264 KREPWJUBTISIQK-GFCCVEGCSA-N 271.360 3.673 30 20 CHED CC(C)n1cc(CN[C@@H](CCC#N)c2ccccc2)cn1 178756669 ZQXVONPGYMPNQV-KRWDZBQOSA-N 282.391 3.599 30 20 CHED CC1CCC(N(C[C@@H]2CCCO2)c2ncccc2C#N)CC1 301362456 OQMLWJQYHLUQKM-PREGVCBESA-N 299.418 3.517 30 20 CHED Cc1csc(-c2cccc(C(=O)O[C@H](C#N)C3CC3)c2)n1 177015316 WHNRMOYZEHONFU-CQSZACIVSA-N 298.367 3.578 30 20 CHED COc1cc(OC)c([C@@H](C)NCCCCC#N)cc1Cl 178648525 FSXWOZSQNZHPSL-LLVKDONJSA-N 296.798 3.702 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1csc2ccccc12 122125661 NCKNNGXPPHSDPA-CYBMUJFWSA-N 272.373 3.569 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ncccc1C 171966736 XVUGCSCFYWBHIG-UHFFFAOYSA-N 287.407 3.990 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCO[C@H](CC)C1 180443781 CDOXXNZBEOPIMP-DLBZAZTESA-N 293.451 3.787 30 20 CHED CC[C@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C1 301541337 CAVAOEKIEHFPCF-JTQLQIEISA-N 268.282 3.813 30 20 CHED CC(C)(C)C1=CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 128060276 DTYLUWRVJGJOGN-UHFFFAOYSA-N 285.347 3.649 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(F)c(Cl)c1 122232322 ORVMHNYXHSFOCL-SECBINFHSA-N 254.736 3.679 30 20 CHED COc1cccc(CSCc2ccc(F)cc2C#N)n1 180380881 MTWFBMWWPJPTQN-UHFFFAOYSA-N 288.347 3.534 30 20 CHED CCSCc1ccnc(N[C@@H]2CCC[C@@H](C#N)C2)c1 185873032 PAVLMTDLEWJWJJ-TZMCWYRMSA-N 275.421 3.829 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2C)cc1 216790591 GOEZRNOPDCCKQH-XFXZXTDPSA-N 252.313 3.900 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416692507 TVPFQGLDUNFGMQ-AHIWAGSCSA-N 299.418 3.669 30 20 CHED N#Cc1cc(Cl)ccc1N1CCO[C@H](c2ccccc2)C1 75633309 XJZHXDLQPORMHT-KRWDZBQOSA-N 298.773 3.790 30 20 CHED CC[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)[C@H]1CC1(C)C 416278487 RGVZIUCCPDENPS-BBWFWOEESA-N 298.430 3.700 30 20 CHED C=CCn1c(C)cc(C(=O)CSCCSCC)c1C 185587170 CDEYHAQLAGFDBI-UHFFFAOYSA-N 297.489 3.960 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccc(C)cc2C)o1 127634201 WOGRFBRJKWUHHZ-NSHDSACASA-N 273.361 3.748 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)n(-c2ccc(C)cc2)n1 182672166 JHASFEZKPLQMNN-UHFFFAOYSA-N 297.402 3.527 30 20 CHED CO[C@](C)(C1CC1)[C@H](C)Nc1nc(C)c(C#N)cc1Cl 413507736 CJFIAOJUHVMHOE-BONVTDFDSA-N 293.798 3.531 30 20 CHED C=C(C)CN(C)Cc1csc(-c2ccccc2OC)n1 181261626 BMQRFUUSVZLSSD-UHFFFAOYSA-N 288.416 3.827 30 20 CHED C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@@H]1CC[C@H](C#N)C1 414343988 BZAQHYAJPOSPBS-DVOMOZLQSA-N 299.393 3.530 30 20 CHED Clc1ccc(C#CCN(Cc2ccccn2)C2CC2)cc1 180857876 MTDKCDXBJZFVCN-UHFFFAOYSA-N 296.801 3.751 30 20 CHED CCc1ccc([C@H](C)C(=O)N(CC#N)C2CCCC2)cc1 125323756 GCFUHPRLFGGXCP-AWEZNQCLSA-N 284.403 3.647 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)CC1CCCCC1 410823685 AYBPQTCFOFJCAJ-HIFRSBDPSA-N 264.413 3.744 30 20 CHED CCSCCSCCCOc1ccc(C#N)cc1 180780211 YFEZEFSKZSZYHY-UHFFFAOYSA-N 281.446 3.813 30 20 CHED C=CC[C@H](C(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1)c1ccccc1 509384812 BPYZCEBWGIBPHO-VMXHOPILSA-N 295.426 3.851 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CC12CCCCC2 411004752 XOKSYZNFPBKVQP-MRXNPFEDSA-N 294.398 3.808 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCC(F)(F)C1 410009790 INQZZLZOPHJHTR-VXGBXAGGSA-N 259.340 3.673 30 20 CHED CC(C)[C@H](NCCCSCC#N)c1ccccc1 72513464 RNALSKYRUDYGJZ-HNNXBMFYSA-N 262.422 3.620 30 20 CHED COc1ccc([C@@H](C)NCc2cccc(C#N)c2)c(F)c1 37748909 QKUHAHYQZAJLKM-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 180948670 HASAVOYTIUSNNH-VXGBXAGGSA-N 278.352 3.609 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H](SCC)C2)CCC1 188894494 YIUZSQBIRLLJGX-ZIAGYGMSSA-N 281.465 3.913 30 20 CHED CC(=O)c1cc(F)ccc1OCc1ccc(C#N)cc1F 78346599 WNMACQKPWHMJLL-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=CC[C@H](C)NCc1cc(-c2ccncc2)ccc1OC 187247966 YKIMXQXIECCRRG-AWEZNQCLSA-N 282.387 3.811 30 20 CHED C[C@H]1CCCN(c2ccccc2OCC2(C#N)CCC2)C1 418862469 GUZAMUOEHKMDHB-HNNXBMFYSA-N 284.403 3.996 30 20 CHED C=CCN(CC=C)CCOc1ccccc1Br 508895005 WFVKOMOJAYXIGI-UHFFFAOYSA-N 296.208 3.502 30 20 CHED Cc1ccc(COC(=O)c2ccccc2OCC#N)c(C)c1 184035231 LBZJYSWANZDBIT-UHFFFAOYSA-N 295.338 3.563 30 20 CHED Cc1cccc2c1CCN(CCCC(C)(C)C#N)C2 174847629 KDLNIHRCNFKCAU-UHFFFAOYSA-N 256.393 3.683 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)CC(F)F 411183462 RUMIMCRFQZKXIY-JTQLQIEISA-N 273.348 3.554 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](CC)c1cc(F)ccc1F 130152444 DTNNOZOYFLFOFV-NHYWBVRUSA-N 297.345 3.513 30 20 CHED C#CCCCCNC(=O)Nc1sc(C)nc1CC(C)C 135449819 DFCITYOLZOOOGK-UHFFFAOYSA-N 293.436 3.575 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] 194744698 PJEBTSUXLKOMKW-UHFFFAOYSA-N 290.363 3.722 30 20 CHED CN(CCC(C)(C)C#N)[C@H]1CCCN(c2ccccc2)C1 131757399 DIONCGCWVKBAQP-KRWDZBQOSA-N 285.435 3.527 30 20 CHED C=CCN(C(=O)[C@H]1OCCc2ccccc21)c1ccccc1 137117523 RYWSSEWOBQSNJS-SFHVURJKSA-N 293.366 3.520 30 20 CHED C=CCCCN(C)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 135077197 YCOQFSZYRFWEFC-VXGBXAGGSA-N 277.330 3.780 30 20 CHED C[C@@H]1CC[C@@H](C(O)=Nc2ccc3c(c2)C(O)=NC3)C1 329232259 LEWJZHSTXWGIOM-NXEZZACHSA-N 258.321 3.529 30 20 CHED N#CCC[C@@H](NCc1ccc(C#N)s1)c1ccccc1 130494109 OTDQBWNXHYWUHK-MRXNPFEDSA-N 281.384 3.754 30 20 CHED Cc1ccc(/C=C/C(=O)c2cnn(C)c2C)cc1Cl 194162180 MWPVEVKBJYGPMR-VOTSOKGWSA-N 274.751 3.586 30 20 CHED CC1(C)CCCC[C@@H]1/N=C(/O)c1ocnc1C1CC1 329312552 AKQSVEQQXILSCJ-NSHDSACASA-N 262.353 3.825 30 20 CHED C#CCCCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 190655063 LCNUIFWGDPAGTF-UHFFFAOYSA-N 298.430 3.501 30 20 CHED C=CCC1(C(=O)N[C@@H](C)C(F)(F)F)CCCCC1 424965842 BYAPHMMQJVGZRG-JTQLQIEISA-N 263.303 3.580 30 20 CHED CCCCCCCC[S@@](=O)c1ccc(C)cn1 191183279 FZCQJHZUHDQMBM-QGZVFWFLSA-N 253.411 3.858 30 20 CHED CCCOC1(CNCc2cccc(C#N)c2)CCCCC1 517057816 UOBBBDKDFIVLRC-UHFFFAOYSA-N 286.419 3.777 30 20 CHED N#Cc1cc(NC(=O)CC2CCC2)ccc1OC(F)(F)F 337762608 FOTAVMIOWGFCEN-UHFFFAOYSA-N 298.264 3.586 30 20 CHED C=CCCCCS(=O)(=O)[C@@H](C)c1ccc(F)c(F)c1 515139267 UUPOANPLZLJJOS-NSHDSACASA-N 288.359 3.797 30 20 CHED Oc1nc2ccccc2cc1/C=N/Cc1ccc(Cl)nc1 193677202 IDJFFROZQGOUMA-VCHYOVAHSA-N 297.745 3.608 30 20 CHED N#Cc1cccc(CC(=O)N[C@H]2CCCCC23CCCC3)c1 514899256 WEKUTFQRAQFBJC-KRWDZBQOSA-N 296.414 3.720 30 20 CHED CC[C@H](CC1CCCC1)C(=O)NCc1ccc(C#N)s1 421602246 RQUONCRLDSMLEO-CYBMUJFWSA-N 290.432 3.842 30 20 CHED Cc1cccc(C(C)C)c1N=C(O)NC(C)(C)C(C)(C)O 330751819 BRRXVARRWHYCTH-UHFFFAOYSA-N 292.423 3.803 30 20 CHED CC1(CC(=O)N2CCc3c(C#N)cccc32)CCCCC1 421653838 AGBDLMWBVATZJC-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C=C(C)CNC(=O)c1cccc(Nc2ccccc2)c1 428122065 ZUURIZJECRMOIR-UHFFFAOYSA-N 266.344 3.736 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC(C(C)C)C(C)C 426245982 PLRPBZNAQIZBGE-AWEZNQCLSA-N 266.429 3.665 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccn(C(C)C)c1C 334242582 ORBSDJJWGSMYSC-UHFFFAOYSA-N 281.359 3.810 30 20 CHED C#CCOc1ccccc1CNC[C@H]1C[C@@H]1c1ccccc1 236688420 NKLDGNWGYMMYJQ-RTBURBONSA-N 291.394 3.592 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCCC2(CCC2)C1 338803789 YWFIPLKSAOMQQX-UHFFFAOYSA-N 288.439 3.748 30 20 CHED CC1=CCN(c2c(C#N)cnc3c(F)cc(F)cc23)CC1 339224045 WUPOYZZKKRMGRS-UHFFFAOYSA-N 285.297 3.541 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)[C@H](C)CCC 514819590 YFZXEAHTUBFJEM-QWHCGFSZSA-N 264.417 3.602 30 20 CHED C=CC[C@@H](C)NC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 513163699 DPLHZKYDAOLYRL-IJLUTSLNSA-N 292.345 3.619 30 20 CHED Cc1ccc(-c2cccnc2)cc1NC(=O)[C@]1(C#N)C[C@@H]1C 336294282 PRGIFFMHLHUNBF-UGSOOPFHSA-N 291.354 3.545 30 20 CHED N#Cc1cc(F)ccc1NCc1cccc2cccnc12 90794621 SFMDDEZLZCMEJV-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CCN(C(=O)Nc1ccc(C#N)cc1Cl)C1CCC1 335879633 KTPRJZZMNSOHTJ-UHFFFAOYSA-N 277.755 3.618 30 20 CHED FC(F)C1CCN(CC#Cc2cccc(Cl)c2)CC1 438620873 QPMDMIQVUSXRDP-UHFFFAOYSA-N 283.749 3.669 30 20 CHED Cc1oc(C#N)cc1C(=O)NCc1cccc(C(C)C)c1 436103567 SYOVYWXJKQXRHJ-UHFFFAOYSA-N 282.343 3.513 30 20 CHED N#Cc1ccnc(N2CC=C(c3ccccc3F)C2)c1Cl 342919831 WRFAOFSPWGGSFI-UHFFFAOYSA-N 299.736 3.649 30 20 CHED COc1ccc(C#N)cc1CSCCOc1ccccc1 434927161 QWOZGTUBLBKIMI-UHFFFAOYSA-N 299.395 3.879 30 20 CHED COc1cccc([C@H]2CCCN2c2cc(C)nc(C#N)c2)c1 341416759 ICNOWHYOBTWWSL-GOSISDBHSA-N 293.370 3.612 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1 344519198 UZJHRUGNZJSBOU-AWEZNQCLSA-N 295.367 3.527 30 20 CHED Cc1[nH]c(=N[C@H](C)c2oc3ccccc3c2C)ccc1C#N 436715021 NWURXXIKTYMSMK-CYBMUJFWSA-N 291.354 3.911 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(Cl)ccc1O 342944183 IVRRSTAENIKVLE-UHFFFAOYSA-N 297.782 3.747 30 20 CHED CCc1c(C)sc(NC(=O)[C@H]2CCCCS2)c1C#N 341137403 KHAWENHBHUCAFF-GFCCVEGCSA-N 294.445 3.715 30 20 CHED CCN(Cc1ccc(Cl)cc1)Cc1cccc(C#N)n1 602438222 CHFXVALRRAAXAI-UHFFFAOYSA-N 285.778 3.629 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCOc2c(F)cccc21 437075755 MFDRDXDZRCFJKB-SLEUVZQESA-N 263.356 3.840 30 20 CHED CC(C)Oc1ccc(-c2cn([C@H]3CC[C@H](C#N)C3)nn2)cc1 600813086 KENMWJDLLRCKJT-ZFWWWQNUSA-N 296.374 3.597 30 20 CHED C=C(C)CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 349372614 NAMABWHVADWXRM-HNNXBMFYSA-N 288.439 3.608 30 20 CHED C/C(=C/C(=O)O[C@@H](C#N)C(C)C)c1ccccc1Cl 255510234 SWJSBOZKLWBNLX-MSKHEQNASA-N 277.751 3.835 30 20 CHED N#Cc1ccc(-c2ccc(Cl)s2)n(CC2CC2)c1=O 520228286 DSVSJKJFTRIRIE-UHFFFAOYSA-N 290.775 3.512 30 20 CHED CC(C)N(C)Cc1ccccc1CNC[C@@H](C)CCC#N 602591276 FYKZSAQVHHYDMO-INIZCTEOSA-N 287.451 3.556 30 20 CHED CCOc1ccc(O)c(/C=N\CCCOC2CCCC2)c1 255849390 XMEGIKOZZLOLEP-AQTBWJFISA-N 291.391 3.559 30 20 CHED COc1ccccc1[C@H]1CCCN1C[C@H](C)CCC#N 602458903 QSDMIWOABUUAAI-GDBMZVCRSA-N 272.392 3.772 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2cc(C)ccn2)CCCC1(C)C 444937603 RBMYRBKGOBREHC-AWEZNQCLSA-N 287.407 3.989 30 20 CHED CC(C)(C)c1ccc([C@@H](O)C/N=C\c2ccccc2O)cc1 254992113 YJRMHRGLTWVQHZ-HRVJUDJTSA-N 297.398 3.842 30 20 CHED Cc1ccc(CN(CC2(CC#N)CC2)C(C)C)s1 602765756 ZKPLOPUTHBNAEW-UHFFFAOYSA-N 262.422 3.961 30 20 CHED C=CCOc1ccc(C(=O)N(CC2CC2)CC2CC2)cc1 359655074 CIQDFXNGTOXCAO-UHFFFAOYSA-N 285.387 3.514 30 20 CHED C=CCOc1cccc(NC(=O)[C@H]2CCC(F)(F)C2)c1 359321424 MAZHYWFKGAJNFR-NSHDSACASA-N 281.302 3.625 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 184874279 IDRLQKQUXUUVNE-UHFFFAOYSA-N 285.265 3.573 30 20 CHED CCCC(=O)Nc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442856911 DUFGFAJSTLSQGK-IUODEOHRSA-N 271.364 3.529 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 355658636 RABZDMWHNKSZPW-IIYDPXPESA-N 288.366 3.518 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](C)C#N 609921918 WHPQPYWFNWAEBE-BXKDBHETSA-N 299.201 3.590 30 20 CHED C=CCC1(C(=O)NCCc2ccc(F)cc2)CCCC1 449057566 DCWQTQVLQRFJKN-UHFFFAOYSA-N 275.367 3.621 30 20 CHED C=CCC[C@@H](NCc1ccccc1N(C)C)C1CC1 539071428 HPJMDDBAIZPOIH-MRXNPFEDSA-N 258.409 3.587 30 20 CHED N#CC[C@@H](CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 353822181 FKBZQOVBPYHZJD-INIZCTEOSA-N 289.338 3.584 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2cc(C)ccc2n1 351623969 LEVHNDCNYIYTLZ-OAHLLOKOSA-N 280.371 3.724 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] 533223729 JPJJWENFYOCUCZ-INIZCTEOSA-N 293.326 3.808 30 20 CHED C=CCCS(=O)(=O)Nc1ccc(C(C)(C)CC)cc1 447795833 ROELBFIYUSWEHJ-UHFFFAOYSA-N 281.421 3.692 30 20 CHED CC[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1 359754682 DECFUZSIIOLAIE-OAHLLOKOSA-N 290.382 3.765 30 20 CHED CCN(CCCC(C)(C)C#N)[C@H]1CCOC(C)(C)C1 351918901 KRIHRUBDVKQPEI-AWEZNQCLSA-N 266.429 3.596 30 20 CHED COc1cc(N[C@@H]2CCc3ccc(C#N)cc32)cc(OC)c1 353673652 HUJGLRKKKJKXAJ-GOSISDBHSA-N 294.354 3.675 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1c[nH]cc1C 352210171 HKGWWOQLBWLOEQ-UHFFFAOYSA-N 268.360 3.542 30 20 CHED COc1ccccc1CNc1nc(C(C)(C)C)ccc1C#N 613409336 VXOKHSKCDVPZKP-UHFFFAOYSA-N 295.386 3.871 30 20 CHED CC(C)[C@H]1OCCC[C@@H]1CNc1snc(Cl)c1C#N 267590524 CSLMCLBFRRZFSF-MWLCHTKSSA-N 299.827 3.531 30 20 CHED C=CCOc1ccc(CC(=O)NC2(CC=C)CCCC2)cc1 619110433 KJHPYZSNMNUHOX-UHFFFAOYSA-N 299.414 3.799 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 700567075 FWOLKEPUQLEZBE-AAEUAGOBSA-N 295.835 3.739 30 20 CHED C=CCC[C@H](CC)NCc1ccnc(C(F)(F)F)c1 449437410 KNUKKZGUHNQRBF-LBPRGKRZSA-N 272.314 3.935 30 20 CHED CC(C)(CCC#N)CNC(=O)C1(Cc2ccccc2)CCC1 359760083 ZHRXCUJZDUCPMJ-UHFFFAOYSA-N 298.430 3.846 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 538286835 QNBVOVQRYDVHBS-VIBAHUMZSA-N 298.430 3.616 30 20 CHED C=CCC[C@H](NC(=O)c1ncoc1CC)c1ccccc1 269407142 NMGRYYLNZPTABC-AWEZNQCLSA-N 284.359 3.674 30 20 CHED C=CCC(CC=C)c1nc(Cc2csc(C)n2)no1 268135431 GKLVGTOBIGBCLC-UHFFFAOYSA-N 275.377 3.661 30 20 CHED C=CCC1(NC(=O)[C@H]2CCCc3c(O)cccc32)CCCC1 619111275 SFPVGMKJFQRTIS-INIZCTEOSA-N 299.414 3.817 30 20 CHED COc1cccc2c(CN3CCC(C)(C#N)CC3)cccc12 449231376 OSMIGSPGGWBLFO-UHFFFAOYSA-N 294.398 3.974 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[C@@](C)(C#N)C2)c1 612122621 YQUZOWUGJPFYNO-QAPCUYQASA-N 299.418 3.700 30 20 CHED C=CC[C@H]1N(C(=O)NCC=C(C)C)CCCC1(C)C 447807888 URCCXMCVAPHQCX-CQSZACIVSA-N 264.413 3.729 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)Cc1coc2ccccc12 449549241 WCNURTKVWZWVJY-XKQJLSEDSA-N 285.387 3.687 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc[nH]c1CC 352973160 LGNGAKBKJYTBTQ-UHFFFAOYSA-N 274.408 3.786 30 20 CHED Cc1ccc(C[C@@H]2CCCN2C(=O)C2(C#N)CCCC2)cc1 264905373 PPIKWJULWBLPNZ-KRWDZBQOSA-N 296.414 3.613 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)c2cccc3ccccc23)C1 531808982 FVGGPCXBGSVFOA-BIWSTMPVSA-N 292.382 3.957 30 20 CHED CCCN(CC(C)(C)CCC#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 537618396 XZYRNIUOAAFMGB-XHSDSOJGSA-N 292.467 3.842 30 20 CHED Cc1ccccc1NC(=O)NCc1ccc(C#N)c(Cl)c1 619750004 RGPIUDANKMSVKB-UHFFFAOYSA-N 299.761 3.842 30 20 CHED CC1=C(C(=O)NCC(C)(C)CC#N)CCC(C)(C)C1 458040523 LANXNVIFXDHINP-UHFFFAOYSA-N 262.397 3.569 30 20 CHED COc1ccccc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618803516 XMAQNROLPYNKMF-FZKQIMNGSA-N 292.382 3.905 30 20 CHED C=CCCC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 369110288 ASCBKZAHEYCQLQ-IAGOWNOFSA-N 267.372 3.800 30 20 CHED C=CCC1(NC(=O)Cc2ccc3c(c2)CCO3)CCCCC1 456380789 LBYANHVQRAHDOV-UHFFFAOYSA-N 299.414 3.559 30 20 CHED C[C@@H](C1CC1)N(C(=O)Nc1cccc(CC#N)c1)C1CC1 455917904 KGYAECIXGSGOJF-LBPRGKRZSA-N 283.375 3.547 30 20 CHED CCCCCCN1CCC(C#N)(c2ccccn2)CC1 369203601 CNYOWPPOHXCWMW-UHFFFAOYSA-N 271.408 3.519 30 20 CHED CC(C)(C#N)CCCNc1ccc2c(c1)CCCC2=O 453120618 DDTHGWAIGFZRMJ-UHFFFAOYSA-N 270.376 3.947 30 20 CHED N#Cc1ccncc1N[C@@H]1CCCc2c(F)cc(F)cc21 450554979 LAYWBWXYFQOPKR-OAHLLOKOSA-N 285.297 3.721 30 20 CHED CC(C)CCN(C)C(=O)C[C@H](CC#N)c1ccccc1 619427525 PKMXIWPMJICMFW-INIZCTEOSA-N 272.392 3.578 30 20 CHED CCCCOc1cc(CNCC(C)(C)C#N)ccc1OC 612584833 CLKJKTBGQKWXLR-UHFFFAOYSA-N 290.407 3.513 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(OC)c1C)OCC 270053939 RVVSJYWPIGFPAS-OAHLLOKOSA-N 291.391 3.622 30 20 CHED CCOC(=O)c1cccc(S[C@H]2CC[C@H](C#N)C2)c1 450928935 HFBCSPQCOBIXMR-FZMZJTMJSA-N 275.373 3.648 30 20 CHED CC(C)OCCCCNc1nc(C(C)(C)C)ccc1C#N 613429494 VSKJPBBJCPJGNE-UHFFFAOYSA-N 289.423 3.868 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](CC)CC(C)C)C1 617777039 HANYMORVBAIRRW-HUUCEWRRSA-N 251.414 3.873 30 20 CHED C[C@@H](C(=O)NCC(C)(C)C1CCC1)c1cccc(C#N)c1 452785050 MLYHCJLEIFNGDU-CYBMUJFWSA-N 284.403 3.604 30 20 CHED CCC[C@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 543456786 AXFWURSCCABPLF-LBPRGKRZSA-N 290.794 3.864 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)c1cc2ccccc2n1CC#N 610294805 VUMQJEGKLATBHW-KBPBESRZSA-N 297.402 3.719 30 20 CHED Cc1ccccc1[C@H]([C@H](C)N[C@@H]1CCC[C@@H](C#N)C1)N(C)C 618577595 MIURGYTXLTXYPZ-FAJBIJEISA-N 299.462 3.658 30 20 CHED Cc1ccccc1[C@H]1CN(CCCC(C)(C)C#N)CCO1 364316603 BGTBYXTWXYUYAT-QGZVFWFLSA-N 286.419 3.698 30 20 CHED C=CCCC1(C(=O)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)CC1 360317722 KLWQTPZFHSMURH-ABAIWWIYSA-N 289.350 3.510 30 20 CHED C[C@H](CCNC(=O)N1CCC(CC#N)CC1)c1ccccc1 545961937 WKLSKZRIWDQISW-OAHLLOKOSA-N 299.418 3.515 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc(C2CC2)nc1 459344069 UHCROPOHJBVSMI-UHFFFAOYSA-N 286.423 3.506 30 20 CHED C=CCCN(C)C(=O)CCCc1ccc(Cl)cc1 276403624 OMNGQBFKSIJMRQ-UHFFFAOYSA-N 265.784 3.697 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC2(CCCCC2)CC1 367195457 MUMYHIDXXOEIIA-UHFFFAOYSA-N 286.375 3.646 30 20 CHED CC/C=C\CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 455312235 YQJFRKUTTABCSR-WAYWQWQTSA-N 299.418 3.692 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Cc1ccccc1C 623989274 QXHUKBRXZMOWSQ-OAHLLOKOSA-N 259.393 3.598 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NCC(C)(C)C#N 458635190 AXAPTRFUOMLPLZ-FMKPAKJESA-N 299.418 3.512 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc([S@](C)=O)cc1 271426596 CODDSJQDMFWDFS-MNUAXYBXSA-N 279.449 3.675 30 20 CHED C=CCCCCCN(C)C(=O)c1conc1C(C)C 625758767 HHJXHZJUWLRCEQ-UHFFFAOYSA-N 264.369 3.616 30 20 CHED N#Cc1cccc(CCN[C@H](c2ccc(F)cc2)C2CC2)c1 467440195 ZYPSUCUZFNISFW-IBGZPJMESA-N 294.373 3.981 30 20 CHED N#Cc1ccc(Sc2cccc(F)c2C#N)c(F)c1 463079688 IDIZWWJNJLSGAG-UHFFFAOYSA-N 272.279 3.859 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(OCC)cc1 620864102 QHHKAIGURICNMY-UHFFFAOYSA-N 261.365 3.560 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C(C)(C)C(C)C)cc1 558286651 WVBMBISRWHTNHQ-HNNXBMFYSA-N 272.392 3.612 30 20 CHED Cc1ccc(O[C@@H](C)CNc2ccc(C#N)cc2F)cc1 463073999 MVPNLWYNOWBEFK-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED Cn1nccc1-c1ccc(F)cc1OCCC(C)(C)C#N 281723152 AHELFCWMHFMWTO-UHFFFAOYSA-N 287.338 3.545 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 288349330 LTMOVIMAUOOJMU-OCCSQVGLSA-N 293.432 3.639 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1ccc2ccccc2n1 467515926 CAUCHFIWQJWOQL-UHFFFAOYSA-N 280.371 3.966 30 20 CHED C=CCNC(=O)NCc1ccc(OCCCC)c(Cl)c1 466418680 ZSBZOMMFHZXFAZ-UHFFFAOYSA-N 296.798 3.504 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2ccc(F)cc2C#N)C1 462819007 RZZPUAYHNTZRDU-CQSZACIVSA-N 280.346 4.000 30 20 CHED Cc1ccc(OCCCC2(C#N)CCOCC2)c(C)c1 281273646 ICGJNZYUMDQPKB-UHFFFAOYSA-N 273.376 3.783 30 20 CHED CC[C@@H]1CCC[C@@H]1NC1CCN(c2ccc(C#N)cc2)CC1 286219925 SIKSNNFMGPZHBX-APWZRJJASA-N 297.446 3.695 30 20 CHED C=CCC[C@H](NC[C@H]1CSCCS1)c1ccco1 286368377 ZMYJFCIEPUIRHZ-STQMWFEESA-N 283.462 3.725 30 20 CHED C=CCCCCNC1CCN([C@@H]2CCC[C@@H](C)C2)CC1 471610787 NVBBXDIKSFUDLD-SJLPKXTDSA-N 278.484 3.975 30 20 CHED CN(Cc1c(Cl)cccc1Cl)C(=O)C(C)(C)C#N 298832999 XQLWQJDGTIXTSL-UHFFFAOYSA-N 285.174 3.502 30 20 CHED C=CCCCC(=O)N1CCC(Cc2ccccc2F)CC1 479626479 MRYWVXMWXPZSPS-UHFFFAOYSA-N 289.394 3.963 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc(OC(F)F)cc1 299714812 RDANPWQWZGOZFH-WDEREUQCSA-N 268.307 3.631 30 20 CHED CC(=NN[C@H]1CCSC1)c1cc(Cl)cc(Cl)c1 808002933 QZTFIJKUSGBNBS-LBPRGKRZSA-N 289.231 3.813 30 20 CHED C#Cc1ccc(CN[C@H](C)[C@@H]2OCCc3sccc32)cc1 292743799 HROJWADSWKZWLM-ACJLOTCBSA-N 297.423 3.522 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@H](c1ccccc1)N(C)C 471611301 BZAOJQHOIANRAV-NBOOPKSLSA-N 274.452 3.868 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCC[C@@](C)(CCC)C1 473891468 UFXNFPOONXXCRV-IAGOWNOFSA-N 281.440 3.644 30 20 CHED C=CCCCCCCNc1ncnc2ccncc12 804599956 GVUYOYNISSMRBY-UHFFFAOYSA-N 256.353 3.573 30 20 CHED C[C@H](NC(=O)[C@H]1CCCCC1(F)F)c1ccc(C#N)cc1 294472648 SXJPGLKVGHOLDK-SMDDNHRTSA-N 292.329 3.561 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(C)s2)cc1 569422848 YEAIQYWDZBFTQJ-OAHLLOKOSA-N 298.411 3.956 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)c1cc(Cl)ccc1Cl 561307337 IOFHIQJUMDBCRJ-VIFPVBQESA-N 292.169 3.855 30 20 CHED C#Cc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 809615815 DMCAXZWIQYZPSO-UHFFFAOYSA-N 265.331 3.586 30 20 CHED C#C[C@@H](NC(=O)N1CC[C@@H](c2cccc(C)c2)C1)C(C)(C)C 808319187 OOGYXVGTGFBHPN-IAGOWNOFSA-N 298.430 3.542 30 20 CHED C=CCNC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 299445203 XSNQSZARFRSGBX-SNVBAGLBSA-N 286.297 3.594 30 20 CHED C=CCCCCNC(=O)C1(c2cccc(F)c2)CCC1 471692941 MULKTGWJBCRPPS-UHFFFAOYSA-N 275.367 3.720 30 20 CHED C=CCN(C)C(=O)C1(Cc2cccs2)CCCCC1 569416035 IBGCTFZHBAENHD-UHFFFAOYSA-N 277.433 3.886 30 20 CHED Cc1ncccc1CON=Cc1ccccc1C(F)(F)F 809991479 KJUMQCPMQWNUEU-UHFFFAOYSA-N 294.276 3.960 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(Cl)c(F)c1 810570044 TXQIISVSXQIRDR-UHFFFAOYSA-N 287.721 3.642 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H](CCO)CC1 817777496 UTUAFKFPISLODS-MRXNPFEDSA-N 298.471 3.541 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 483421856 OVXNKKALBHVTOJ-QZTJIDSGSA-N 298.430 3.768 30 20 CHED C#C[C@@H](NC(=O)N(C)CC(C)(C)C)c1ccc(Cl)cc1 810100438 IPRMELDPPGTBFR-CQSZACIVSA-N 292.810 3.702 30 20 CHED C=C[C@H]1CCCCN1Cc1ccnc(Cl)c1Cl 811496719 JBYGCPZHZWXNHF-NSHDSACASA-N 271.191 3.929 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnc2ccc(F)cc2c1 488832993 VCAXLYOEMAWBAM-OAHLLOKOSA-N 284.334 3.555 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc2oc(CC)nc2c1 489055191 VMHRGEPNIORRCM-UHFFFAOYSA-N 295.342 3.630 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](C)[C@@H](CN)C1 818010021 HFUKFRXKBLDNLG-SJORKVTESA-N 296.499 3.961 30 20 CHED N#Cc1cccc(NC(=O)c2cc3c(s2)CCCCC3)n1 572525495 LZBJPNJDKNMVJK-UHFFFAOYSA-N 297.383 3.536 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2OC(=O)c1cccc(C#N)n1 810650348 QZGJBCRGVULPMO-MLGOLLRUSA-N 292.338 3.667 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(-c2ccccc2)cn1 815075935 JAEUGGHCLZDEBJ-UHFFFAOYSA-N 288.297 3.899 30 20 CHED C=CCCCCOC(=O)c1csc(CC(C)C)n1 811009229 UHNSSBNLUUNYNL-UHFFFAOYSA-N 267.394 3.855 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](C)CCCCCC 810039410 XNIHRTUWTKYMFL-HNNXBMFYSA-N 271.404 3.686 30 20 CHED CN(CCCc1cccc(F)c1)Cc1ccc(C#N)cc1 485797380 AISCGSHOJRAEBJ-UHFFFAOYSA-N 282.362 3.762 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2csc(C)c2C)cc1 571202969 RPCONLJHBHHAKO-INIZCTEOSA-N 298.411 3.922 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCCC(C)(C)CO 657886302 DRYZXALOXIHANH-HUUCEWRRSA-N 253.430 3.510 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)CCC(C)(C)C 575906833 PDBAHPXNPWBNHG-CYBMUJFWSA-N 252.402 3.599 30 20 CHED C[C@H](C1CC1)N(Cc1ccc(Cl)cc1C#N)C1CC1 480506330 UARIZKIFBZXSDP-LLVKDONJSA-N 274.795 3.975 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C=C(C1CC1)C1CC1 819737764 ZYZFHJRBFYZVBI-CYBMUJFWSA-N 294.398 3.824 30 20 CHED CC[C@@H]1CCN(c2c(C#N)cnc3ccc(C)cc23)C1 488125289 LNHNPZJCSGNUDN-CYBMUJFWSA-N 265.360 3.651 30 20 CHED C#Cc1cccc(NC(=O)CCc2ccc(CC)cc2)c1 817884374 HOVUTMCSLNXMJU-UHFFFAOYSA-N 277.367 3.802 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(Cl)cc1 811946890 NGMMPEFDFUYWNK-SUMWQHHRSA-N 297.785 3.934 30 20 CHED CC#CCNC(=O)Nc1cccc(Oc2ccccc2)c1 483884352 VJDYQUNFPQLIGH-UHFFFAOYSA-N 280.327 3.624 30 20 CHED C[C@H](COc1ccccc1)NN=C/C=C\c1ccc(F)cc1 811667509 WURYYTIHDIHRCG-YHRJZFEASA-N 298.361 3.882 30 20 CHED CCOc1ccc(NN=Cc2cc(F)c(F)cc2F)cc1 814984651 DYKBFZHCEVWLGZ-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(C)C1CCC1 576322758 QWUSTOMDKSLMJB-UHFFFAOYSA-N 274.412 3.501 30 20 CHED Cc1cc(C(=O)N(C)c2ccccc2C#N)cc(C)c1F 489218719 AMVTWNXFLFODTE-UHFFFAOYSA-N 282.318 3.591 30 20 CHED CCCCC/C(C=NNCCCO)=C/c1ccccc1 729932507 CRPFQUHUQKKVLY-HCKPCALMSA-N 274.408 3.608 30 20 CHED C#C[C@H](C)N(C)C(=S)Nc1ccc(CCCC)cc1 491814073 CHIQBSVEDLXJED-ZDUSSCGKSA-N 274.433 3.680 30 20 CHED Cc1ccc(N2CCN(CC(C)(C)CCC#N)CC2)c(C)c1 827793144 LEEQHCMHEZDRCJ-UHFFFAOYSA-N 299.462 3.755 30 20 CHED CCOC(=O)Nc1cccc(OCCC(C)(C)C#N)c1 495712662 SFLTUWILDORAAD-UHFFFAOYSA-N 276.336 3.574 30 20 CHED CC(C)(C)SCC/N=C\c1cc2ccccc2nc1O 727265151 JWBUPELIXVTHKN-BOPFTXTBSA-N 288.416 3.891 30 20 CHED C[C@H]1CCCC1=NNc1ncccc1C(F)(F)F 729141993 JRGHGAPHMUPMRN-QMMMGPOBSA-N 257.259 3.688 30 20 CHED C=CCCNC(=O)N[C@H](C)c1cc2ccccc2s1 664035818 QGXRZILHRIBIGJ-LLVKDONJSA-N 274.389 3.838 30 20 CHED N#CCCCC(=O)Nc1cccc(Cl)c1Cl 589740447 URVDZGZEBHIJCP-UHFFFAOYSA-N 257.120 3.626 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2nc(C)c(C)[nH]2)c1 901430931 ORMMTQNCOYKJQE-BQYQJAHWSA-N 254.333 3.539 30 20 CHED C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cccc(C#N)c1 903428401 OGWKFEJHODRVGO-SCLBCKFNSA-N 277.371 3.755 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1nc(C(C)C)c(C)s1 667369908 JMGKIOCKFMPNPZ-SECBINFHSA-N 267.398 3.661 30 20 CHED CCN(CC1CC1)C(=O)c1sc2ccc(C#N)cc2c1C 584520207 JMTRQMLTQHFAFP-UHFFFAOYSA-N 298.411 3.954 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC[C@@H]2C[C@H]12 667868773 FAJNJJYJRNNNGM-KBMXLJTQSA-N 257.377 3.530 30 20 CHED CC[C@@H](NC[C@H](C#N)CCC#N)C(C)(C)c1ccccc1 583626350 OCJGSTADKHTPKP-DOTOQJQBSA-N 283.419 3.776 30 20 CHED N#CCCCOc1cccc(/C=C\C(=O)c2ccncc2)c1 588386411 OFHNSZAIPBCMNS-SREVYHEPSA-N 292.338 3.660 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1F)c1ccncc1 588386476 XMOBYCBSMBNNON-RJRFIUFISA-N 261.683 3.770 30 20 CHED C#CCCCC(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C 839890855 KGTNXQLLBGJXAA-AWEZNQCLSA-N 263.425 3.853 30 20 CHED CC(=NOCc1ccccc1)c1ccccc1[N+](=O)[O-] 839420226 ZPCMOPXAXXXXKK-UHFFFAOYSA-N 270.288 3.536 30 20 CHED Cc1cc(Cl)c2c(c1)CCCN2C(=O)CCCC#N 839451028 VQCDGEVXTVKPLT-UHFFFAOYSA-N 276.767 3.622 30 20 CHED C=CCCCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1 735530813 PMWBFSYNSDMPCD-UHFFFAOYSA-N 290.750 3.649 30 20 CHED CCCN(C(=O)c1cc(C#N)ccc1C)C(C)(C)C 903871865 ZULQWBIIUSEJCQ-UHFFFAOYSA-N 258.365 3.517 30 20 CHED CC(C)(Cc1ccccc1)C(=O)O[C@H]1CCC[C@H](C#N)C1 839054828 ORWKKRPEXZQRQK-HOTGVXAUSA-N 285.387 3.881 30 20 CHED C[C@H]1CN(CCC2(C#N)CCCCC2)C[C@H](C)S1 583917950 OPVRNCRNKCACIG-KBPBESRZSA-N 266.454 3.676 30 20 CHED FC(F)(F)c1ccnc(NN=C2CCCc3occc32)c1 834984986 GMNORCUZOVUYCL-UHFFFAOYSA-N 295.264 3.846 30 20 CHED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccco2)S1 915848397 NUPVFDZQEWNRLU-LCYFTJDESA-N 298.367 3.788 30 20 CHED C=CCCCN1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C 735490429 KCIOIMVHYJDMMP-LSDHHAIUSA-N 296.455 3.720 30 20 CHED COC(=O)c1cc(NN=C2CCC23CCCC3)ccc1F 835012601 WKLCXEGBAOAYNA-UHFFFAOYSA-N 290.338 3.734 30 20 CHED Cc1ccc(COC(=O)[C@@]2(C#N)CC23CCCC3)c(C)c1 839324865 DHQDEIRPKADNFH-SFHVURJKSA-N 283.371 3.821 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2cccc(F)c2F)C1 839048023 BNVWXWAUSSDZGX-DGCLKSJQSA-N 293.313 3.523 30 20 CHED C=CCN(C(=O)CCSc1ccccc1F)C(C)C 914683225 LSPCFFINESBILT-UHFFFAOYSA-N 281.396 3.731 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccc(N2CCCCC2=O)cc1 839604302 BVPOPDWWLCUGIV-CABCVRRESA-N 299.418 3.546 30 20 CHED CN(Cc1ccc2ccccc2c1)C(=O)C#CC(C)(C)C 837313967 PUKYHQWDBCNICL-UHFFFAOYSA-N 279.383 3.848 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCC[C@@H](O)CC1 837774598 CQRSBBVXTFHCGI-JKSUJKDBSA-N 298.471 3.539 30 20 CHED CC(C)(C)c1cccc(C(=O)NCc2ccc(C#N)s2)c1 594051798 QEVSZYCXSHNNFA-UHFFFAOYSA-N 298.411 3.847 30 20 CHED CC(=NNc1cccc(Cl)c1)c1scnc1C 915110582 ZYNNSOUGAIEJEZ-UHFFFAOYSA-N 265.769 3.941 30 20 CHED CSc1ccc(NC(=O)CC2(C#N)CCCCC2)nc1 597254631 WHBZXUMIXLDYSA-UHFFFAOYSA-N 289.404 3.606 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)CN1CCCCC1 675742996 CJJMICXHEWBPEC-HOTGVXAUSA-N 252.446 3.585 30 20 CHED CCC/C(C)=C/C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 841370019 KXWIMDLRVCQYEF-JIIJFUIFSA-N 282.387 3.798 30 20 CHED C=C(Cl)COC(=O)CCC(=O)c1ccc(CCC)cc1 916609413 GBACGFSEDKNYGE-UHFFFAOYSA-N 294.778 3.898 30 20 CHED C[C@@H](C/N=C\c1cc(Cl)ccc1O)N1CCCCCC1 915979932 LPGUJPKBTTVMOC-CYUIRQCWSA-N 294.826 3.729 30 20 CHED O=C1/C(=C/c2ccccc2F)Oc2ccc(F)cc21 749744857 AAYGCYFHFPQCFV-AUWJEWJLSA-N 258.223 3.581 30 20 CHED CC[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)C1CCCC1 590807532 IZZRCFMGQWXLSP-CXAGYDPISA-N 299.418 3.887 30 20 CHED C=C(Cl)CSCCOc1ccccc1OCC 742971766 VUOQCXDXYHZZDN-UHFFFAOYSA-N 272.797 3.950 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1 748998090 JSVLXOHFSMBOAE-YCRREMRBSA-N 286.762 3.697 30 20 CHED CC(C)n1cc(C(=O)/C=C/C=C\c2ccccc2)cn1 746686855 NRPWCMDWZHXYOA-NAKBGQTNSA-N 266.344 3.916 30 20 CHED Cc1cc(CSCc2ccc(C#N)cc2F)nc(C)n1 596377261 NXEQMFYYSTWHMY-UHFFFAOYSA-N 287.363 3.538 30 20 CHED CCn1c(-c2cc(COC)cs2)nc2cc(C#N)ccc21 594660499 GQOAUCHKJLHMDW-UHFFFAOYSA-N 297.383 3.803 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(C)ccc1C(F)(F)F 597078566 NRHYSOHYECZISA-JTQLQIEISA-N 299.296 3.828 30 20 CHED CCC(=NNC(=S)Nc1cc(C)ccc1C)C1CC1 741160136 KOUORSWEJGPBMP-UHFFFAOYSA-N 275.421 3.766 30 20 CHED Cc1cccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1C 593933610 GCYODVIPMLBVHS-CQSZACIVSA-N 292.382 3.992 30 20 CHED N#CCCCCOC(=O)c1cc(-c2ccccc2)ns1 747103172 PCDOYCGUGMJAFM-UHFFFAOYSA-N 286.356 3.661 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)[C@H]1C[C@H]2C=C[C@H]1CC2 842535059 BOIVEPRXXSNWBL-FIQHERPVSA-N 260.303 3.505 30 20 CHED C[C@H](/N=C\c1cccc(O)c1O)c1c(F)cccc1F 917558832 ZSTUSXZQHJTQMF-QNNPZSRPSA-N 277.270 3.556 30 20 CHED CCC(C#N)(CC)c1nc([C@H]2CCc3ccccc3C2)no1 599138342 ZXYJCUNNDRTWFX-HNNXBMFYSA-N 295.386 3.923 30 20 CHED CC(C)CC[C@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N 598597548 GPEMDAXQXIWFCC-CVEARBPZSA-N 280.456 3.578 30 20 CHED N#CC1(CCOC(=O)[C@H]2COc3ccccc32)CCCCC1 840523154 WZLVZNBOOAWKJQ-HNNXBMFYSA-N 299.370 3.570 30 20 CHED C=CCC[C@H](C)NCCC[C@H]1CC1(Cl)Cl 846112424 ZRVSCHBJFJMWBW-QWRGUYRKSA-N 250.213 3.905 30 20 CHED CC(C)(C)[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 131340572 SHNVVTRJLKCESI-AWEZNQCLSA-N 260.356 3.565 30 20 CHED FC(F)CNN=C1CCCSc2ccc(Cl)cc21 748251101 HHTDVBCXVJJTFT-UHFFFAOYSA-N 290.766 3.785 30 20 CHED CCc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 593622606 ZGEQEEKNNNQUER-IBGZPJMESA-N 276.383 3.898 30 20 CHED CC#CCOC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 744984364 DCDVEYWLIUOGOY-UHFFFAOYSA-N 288.387 3.566 30 20 CHED COc1cccc(O)c1/C=N/Cc1cccc2cccnc12 745012227 IBKPRSMDAKTDAY-XDHOZWIPSA-N 292.338 3.568 30 20 CHED C=C(C)CCOC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 744300448 YEDFSUAYDCUAGV-FUHWJXTLSA-N 270.372 3.790 30 20 CHED COc1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1C 921265860 DNVGPIANLKCEJW-UKTHLTGXSA-N 298.313 3.801 30 20 CHED C/C(=C/C1CCC(C)CC1)COC(=O)CSCC#N 842894539 SRSSRFASVWDCOM-LCYFTJDESA-N 281.421 3.559 30 20 CHED C=C(Br)CN(CCc1ccccc1)C1CC1 746651418 UFGQUOKOZBKKSX-UHFFFAOYSA-N 280.209 3.602 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSCCC#N 840214774 YKEUYFICGIMHMS-HZSPNIEDSA-N 283.437 3.637 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)n(C)n1 841486903 FQDXUGNKXZZKNI-JXMROGBWSA-N 298.386 3.659 30 20 CHED CCOc1cccc(/C=N/CCCc2ccccc2)c1O 920943228 SUGKQKSZVCQLHS-XMHGGMMESA-N 283.371 3.843 30 20 CHED COc1cc(N[C@H](C)CC(C)(C)C#N)cc(-n2cccn2)c1 926332075 HYOGJFQHGDNWGU-CYBMUJFWSA-N 298.390 3.621 30 20 CHED C=CC[C@@H](C(=O)OCCOCC(C)C)c1ccccc1 759702129 WCNPULUXXHTZAT-MRXNPFEDSA-N 276.376 3.562 30 20 CHED COc1ccc(C(=O)/C=C/C=C/c2ccccc2)c(O)c1 757472732 SBWVAYLFZNDEJR-NXZHAISVSA-N 280.323 3.853 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)[C@@H](C)c1ccccc1 756842042 JIFZTGCREVUBBJ-LLVKDONJSA-N 273.767 3.748 30 20 CHED C=CC[C@H](OC(=O)Cn1cc(C2CC2)cn1)c1ccccc1 850966537 YOMGOJMSYBRPNK-KRWDZBQOSA-N 296.370 3.621 30 20 CHED N#CCCCCOC(=O)c1cc2cccc(Cl)c2o1 753516472 MVZZSSNIOKTTOI-UHFFFAOYSA-N 277.707 3.937 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)C(C)C 753195192 OPNVCVWZNXCIMA-CQSZACIVSA-N 275.392 3.612 30 20 CHED C#CCCCCC(=O)N1CCc2ccc(C(C)C)cc2C1 855381524 AWMIHBZARKPPLN-UHFFFAOYSA-N 283.415 3.888 30 20 CHED CC(C)(C#N)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 920041343 TUKIUMPAGSMONV-QWHCGFSZSA-N 264.413 3.505 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 758360497 WLFXFKGAOIUGIT-YUMQZZPRSA-N 287.241 3.667 30 20 CHED CC(C)CCN1CCC(N[C@H](C)c2ccc(C#N)cc2)CC1 924784244 CMFDLYABNWPDJY-MRXNPFEDSA-N 299.462 3.719 30 20 CHED CC(C)C(=NNc1ccc(C(F)(F)F)cn1)C1CC1 750918173 FOYIRUGEKMHZMG-UHFFFAOYSA-N 271.286 3.934 30 20 CHED CCCn1nccc1/C=C1\CCCc2ccccc2C1=O 853001733 YUTBXMVMZDFARP-FYWRMAATSA-N 280.371 3.896 30 20 CHED CC(=NNCC(F)F)c1ccc(-c2ccccc2)o1 755891259 BJTIZVOSDIHXQP-UHFFFAOYSA-N 264.275 3.525 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC[C@@H]2CCF)c(F)c1 853396833 QDLSYYNYWMRCKA-SECBINFHSA-N 283.278 3.662 30 20 CHED FC(F)(F)[C@H]1CCC[C@@H](C=NOCc2cccnc2)C1 853323167 RQCGVQPPQRAGGP-YPMHNXCESA-N 286.297 3.953 30 20 CHED C=C[C@](C)(CCOC)COC(=O)C1CCC2(CC1)CC2 850973101 MNXVJWSTCBPWEM-MRXNPFEDSA-N 280.408 3.729 30 20 CHED CCn1cc(C(=O)/C=C/C=C/c2ccc(F)cc2F)cn1 758017355 QDGIAVCQSCCPPV-GGWOSOGESA-N 288.297 3.634 30 20 CHED Clc1cccc(C#CCN[C@H](c2ccncc2)C2CC2)c1 934694937 JQZCUIWKLOLJIZ-SFHVURJKSA-N 296.801 3.827 30 20 CHED CC[C@H](C)NN=Cc1ccc(Br)c(Cl)c1 754977913 BKMMAXZWBXNEPP-QMMMGPOBSA-N 289.604 3.825 30 20 CHED C#CC[C@H](NC(=O)N(C1CC1)[C@@H](C)C(C)C)c1ccccc1 757773974 UABNAJBWBKLPBV-YJBOKZPZSA-N 298.430 3.970 30 20 CHED CCC(C#N)(CC)C(=O)OCC#Cc1ccccc1Cl 860198177 PHERDAGCVSRDFP-UHFFFAOYSA-N 289.762 3.565 30 20 CHED Oc1ccccc1/C=N/C1CCC(O)(c2ccccc2)CC1 761013867 CCELVTQMMMENBF-XSFVSMFZSA-N 295.382 3.642 30 20 CHED CC(=NNc1cnn(C)c1)C1(c2ccccc2)CCCC1 761881241 MWMYVCOCIYJYSN-UHFFFAOYSA-N 282.391 3.720 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Oc1ccc(C#N)cc1F 769739463 PEZQYFGTXXLBCV-YPMHNXCESA-N 275.323 3.819 30 20 CHED C[C@H](C(=O)OCCCCC(C)(C)C#N)C(C)(C)C 768698007 ZOBHJBZRWCPRDC-GFCCVEGCSA-N 253.386 3.932 30 20 CHED C[C@@H](C#N)OCCSCCCSC(C)(C)C 865281783 ZMGIOQMGYRBSQT-NSHDSACASA-N 261.456 3.570 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)cn1 768331086 YHUXWJPQTJFPMC-GOSISDBHSA-N 296.414 3.638 30 20 CHED COc1cc(F)ccc1NN=C(C(C)C)C1CC1 761884347 FYZNKIZLGNVLTM-UHFFFAOYSA-N 250.317 3.668 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1csc(C#N)c1 1117777945 HCMXAVCJTDALTC-UHFFFAOYSA-N 284.384 3.672 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1ncnc2ccsc12 764840991 NTWKLMJEJSLSOZ-UHFFFAOYSA-N 298.346 3.593 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1cccc3nccn13)O2 769609447 JNXOFSDQJPPLSC-YBEGLDIGSA-N 290.322 3.567 30 20 CHED FC(F)(F)CON=Cc1ccccc1C(F)(F)F 764845779 ZBGAFPWVXWOHOO-UHFFFAOYSA-N 271.160 3.618 30 20 CHED Fc1ccc(NN=Cc2ccc(-n3cccn3)cc2)c(F)c1 873833553 OWCUCZFWGTXZRN-UHFFFAOYSA-N 298.296 3.597 30 20 CHED Cc1coc(C(=O)Nc2cccc(OCCCC#N)c2)c1 878318379 XIDYPZRJPVMWIT-UHFFFAOYSA-N 284.315 3.523 30 20 CHED C[C@@H](CC#N)OC(=O)CCc1cccc2ccccc12 870204153 BNZIILQUWPMJMP-ZDUSSCGKSA-N 267.328 3.618 30 20 CHED Cc1cc(C)cc(NC(=O)c2ccc(CC#N)cc2)c1 58243036 YTAZRPZOPVNFDN-UHFFFAOYSA-N 264.328 3.622 30 20 CHED Cc1ccc(N[C@@H]2CCCc3cnn(C(C)C)c32)c(C#N)n1 1119286123 LSGXPASJHMQOCG-OAHLLOKOSA-N 295.390 3.529 30 20 CHED CCCc1ncc(C(=O)O[C@@H](C#N)C2CCCCC2)s1 776389276 JYQLTOBAJRTWAG-LBPRGKRZSA-N 292.404 3.725 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@H]1C(C)C 773076561 ADOCXNTUONAWTK-LBPRGKRZSA-N 260.385 3.824 30 20 CHED CC(=NNc1cccc2c1CCCC2)[C@H]1CCCOC1 779770607 LSVWLJJPQWZVCQ-HNNXBMFYSA-N 272.392 3.780 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc(Cl)cc1F 773085423 IMFPDVXASVKTIE-UHFFFAOYSA-N 292.745 3.839 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1nc(C)c(SCC#N)s1 779849415 HEJYJISTMRFVPN-CMDGGOBGSA-N 295.433 3.752 30 20 CHED C#CCC(C)(C)c1nc(-c2cc3ccccc3[nH]2)no1 1119622174 DCLYFAPFQYCTGW-UHFFFAOYSA-N 265.316 3.519 30 20 CHED C=C(CNC(=O)[C@H](C)OC1CCCCC1)c1ccccc1 1117528094 KBOORAOOIVLBTL-HNNXBMFYSA-N 287.403 3.554 30 20 CHED C#CCCCCCC(=O)N1CCc2cc(F)ccc2[C@@H]1C 779957661 CZQOSGTZLXVGDD-AWEZNQCLSA-N 287.378 3.855 30 20 CHED C#CCCCCCc1nc(Cc2ccc(F)cc2)no1 779742857 MIQOSEXBEMNLQV-UHFFFAOYSA-N 272.323 3.536 30 20 CHED C[C@@H]1CCC[C@H](OCC(=O)O[C@@H](C#N)C2CCCCC2)C1 776384197 DTLHVMCYMIXSSL-KBMXLJTQSA-N 293.407 3.597 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc([C@@H](C)C(=O)OC)c1 880283563 ZRCJFCPZNVSONB-GFCCVEGCSA-N 289.375 3.504 30 20 CHED CC[C@@H](NC(=O)c1csc(C#N)c1)c1ccc(F)cc1 1127374074 XUSIZGXMZBNTPL-CQSZACIVSA-N 288.347 3.640 30 20 CHED C=CCOc1cccnc1C(=O)O[C@H](CC)c1ccccc1 775106312 GYVMOYXTLHOKBI-OAHLLOKOSA-N 297.354 3.955 30 20 CHED C(=NOC1CCCCC1)c1csc(C2CC2)n1 777458577 GTOPGILJLVVPOL-UHFFFAOYSA-N 250.367 3.704 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCOc3c(F)cccc32)CC1 888381583 YTDIVNUPTYBHAH-OAHLLOKOSA-N 289.350 3.512 30 20 CHED Clc1ccccc1C=NNc1ccc2[nH]ncc2c1 779821151 UBPRDSMNEWWPGY-UHFFFAOYSA-N 270.723 3.662 30 20 CHED Cc1cc(/C=C/C(=O)c2cncs2)cc2cccnc12 787173241 YUNDMNULUKBAAP-SNAWJCMRSA-N 280.352 3.896 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1sccc1O 782350971 GNFKRPNYSQLFEX-RQOWECAXSA-N 281.336 3.898 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2ccc(OC)cn2)cc1 780269532 ROXJNWOMBOKUGI-GFCCVEGCSA-N 299.374 3.690 30 20 CHED N#CCC1(OC(=O)c2cccc(-c3ccoc3)c2)CCC1 788145006 NEEVPNNCVOLONN-UHFFFAOYSA-N 281.311 3.940 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1c[nH]c2cccc(F)c12 1120733461 OJKBNAJELIXHDU-LBPRGKRZSA-N 286.350 3.878 30 20 CHED CC1(C)CCC(=NNc2oc(C(C)(C)C)nc2C#N)C1 783836237 YERRQPPTULSMRY-UHFFFAOYSA-N 274.368 3.822 30 20 CHED Cc1ccccc1-c1cnc(COC(=O)CC(C)(C)C#N)o1 785108639 UZDMJMBHELFQIP-UHFFFAOYSA-N 298.342 3.633 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc(OC)c(-c2ccccc2)c1 1122714705 XDMGXVPMCPJLDI-CYBMUJFWSA-N 280.323 3.541 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccc3ccccc3n2)s1 782217952 CDXOGGMKESVGCN-UHFFFAOYSA-N 298.327 3.651 30 20 CHED CCCCCCCC(=O)N1CCC[C@@]1(CO)CC(C)C 789874212 HQIKEYBIGCDBHE-KRWDZBQOSA-N 283.456 3.747 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccccc1 107296137 SWALBLDUQRRDRB-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC(c2cc(C)cc(C)c2)CC1 891290170 OOMGGXVFEISBIW-HNNXBMFYSA-N 284.403 3.559 30 20 CHED C/C=C(\CC)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 789664853 VVOMCWSDHSCATI-NYYWCZLTSA-N 276.767 3.921 30 20 CHED CC(=NOCC(C)C)c1ccc(C#N)cc1Cl 788437429 RQGRAFQERTYWET-UHFFFAOYSA-N 250.729 3.608 30 20 CHED CCc1ccc2nccc(N3CCC[C@@H](C#N)C3)c2c1 895647419 BFCWJSGXGIBIOB-AWEZNQCLSA-N 265.360 3.537 30 20 CHED CCCCCCCCNC(=O)[C@H]1CCCCS1 783060400 MVNRJEDCXUWPCE-CYBMUJFWSA-N 257.443 3.749 30 20 CHED Cc1ccccc1C(=NN[C@H]1CCOC(C)(C)C1)C1CC1 780241410 QBRJMKODMQGMTL-HNNXBMFYSA-N 286.419 3.656 30 20 CHED CC(CCCC(F)(F)F)=NNc1ncccc1C 790193376 FDPQLLSAMWCZIU-UHFFFAOYSA-N 259.275 3.910 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(O)cc2F)cc1 793786047 BREDBRUIGKNLBV-UHFFFAOYSA-N 298.317 3.585 30 20 CHED C#CCCCC(=O)Nc1ccccc1-c1csc(C)n1 794129279 IXPMTFRMPWCRCA-UHFFFAOYSA-N 284.384 3.861 30 20 CHED CC(=NNc1nccn1C)c1cc2cc(Cl)ccc2o1 790303620 VSVFYPPCDMOGOA-UHFFFAOYSA-N 288.738 3.656 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC(c2ccccc2C)CC1 791059811 VAJVRKVIJUNLQI-KRWDZBQOSA-N 298.430 3.686 30 20 CHED C#C[C@H](NC(=O)N(CC)Cc1ccc(Cl)cc1)C(C)C 798555995 YYLNEJOPESQESI-HNNXBMFYSA-N 292.810 3.529 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)CCC2CC2)c1 1206305939 QVEIPHXXYFRBAG-GFCCVEGCSA-N 271.364 3.567 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCC2(CCCCC2)O1 709983138 VGXRTTGZOXNFKN-HUUCEWRRSA-N 278.440 3.786 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCCCC(C)C 798040601 SNYIRGFPEPLFEJ-RDJZCZTQSA-N 281.440 3.690 30 20 CHED CCn1ccnc1C=NNc1cc(Cl)cc(Cl)c1 790212531 YESSTMSEVQJYDG-UHFFFAOYSA-N 283.162 3.656 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C\Sc1ccccc1 798551780 WAAWRAYVNYYWRB-YLGBQOPLSA-N 261.390 3.763 30 20 CHED Cc1ccc(C(=O)N(C)CC2CCCCC2)cc1C#N 799546765 HLNVLADZCFOLLT-UHFFFAOYSA-N 270.376 3.519 30 20 CHED C=CCc1ccc(OC(=O)C2CC(C)(C)C2)c(OC)c1 796762702 PCCDITWDUOQGOA-UHFFFAOYSA-N 274.360 3.765 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(C#N)c1 799309057 ZAXRRBGLKCNQSG-BBRMVZONSA-N 270.376 3.565 30 20 CHED COC1(CNc2snc(Cl)c2C#N)CCC(C)CC1 795240115 ZBPZAZWPRNZKNU-UHFFFAOYSA-N 299.827 3.675 30 20 CHED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1nccs1 80260935 BOSALRNPTSPXRJ-FZMZJTMJSA-N 271.389 3.817 30 20 CHED C[C@@H]1CSCCN1c1ccc(C#N)c(C(F)(F)F)c1 70222514 VVZNHYIGSMNRKX-SECBINFHSA-N 286.322 3.519 30 20 CHED C[C@H](N[C@H]1CCCC1(C)C)c1ccc(OCC#N)cc1 94322413 LCRMEHNSLNORMG-BBRMVZONSA-N 272.392 3.818 30 20 CHED CC[C@@H]1C[C@H]1COc1nc2c(cc1C#N)CCCCC2 1307386930 WOZJEHVYZZUEQC-DOMZBBRYSA-N 270.376 3.647 30 20 CHED Cc1csc(CNC(=O)Nc2cccc(C#N)c2C)c1 1310417833 MGPUBANDKGPNBS-UHFFFAOYSA-N 285.372 3.558 30 20 CHED COc1cc(C=NN[C@@H](C)c2ccccc2)ccc1F 1319690001 GGYALLNPWWDOJM-LBPRGKRZSA-N 272.323 3.519 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)CC#Cc2ccccc2)cc1 1319204299 QJAXGNIPZAHMDO-KRWDZBQOSA-N 291.394 3.956 30 20 CHED CC(C)Cc1nnc(CCCCOc2cccc(C#N)c2)o1 1324120621 DFTIUNNTYXYPDZ-UHFFFAOYSA-N 299.374 3.541 30 20 CHED COc1ccc(C#N)cc1CSCc1scnc1C 1327597040 ZDXXVMHYOGRBJD-UHFFFAOYSA-N 290.413 3.765 30 20 CHED CCCC[C@@H]1CCC[C@@H]1Nc1cccc(CC#N)n1 1325709983 KNSQZEYVUMPOEA-HIFRSBDPSA-N 257.381 3.918 30 20 CHED CCCCSCc1nnc(-c2cccc(C#N)c2)o1 1326302759 NCRFSDAWWJEIQZ-UHFFFAOYSA-N 273.361 3.642 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CC(C1CC1)C1CC1 1320442622 JPQBJCXPNFKQRU-UHFFFAOYSA-N 283.371 3.736 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1323443754 GOALPOUUSVBGEY-DLBZAZTESA-N 293.451 3.788 30 20 CHED C=CCN(C(=O)c1ccc(Cn2cccc2)cc1)C(C)C 1338590713 GKCWOYRFLYIOBR-UHFFFAOYSA-N 282.387 3.573 30 20 CHED Cc1ccnc(CSc2cccc(F)c2C#N)c1 1189433492 VFHMBBGHNJZPLR-UHFFFAOYSA-N 258.321 3.693 30 20 CHED Oc1ccccc1/C=N/C1CCN(c2cccc(F)c2)CC1 1339327720 OSUJVBPPCQLFQA-DEDYPNTBSA-N 298.361 3.619 30 20 CHED CCc1ccc(C#Cc2nnc([C@H](C)CC)o2)cc1 1330093673 OFEFBTKDGAHSNM-GFCCVEGCSA-N 254.333 3.545 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 1336217232 LDRPNGIRKOHMCX-NRSFXHEJSA-N 281.399 3.530 30 20 CHED Cc1ncsc1CSCc1ccccc1C#N 1330035768 NKLCOOSUKRMQIL-UHFFFAOYSA-N 260.387 3.757 30 20 CHED Cc1cscc1-c1nnc(-c2cccc(C#N)c2)o1 1345951607 LXJCWTHCOUAKSA-UHFFFAOYSA-N 267.313 3.645 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1346095266 BFOWTRGJFSNNHI-CAOSSQGBSA-N 299.418 3.686 30 20 CHED Cc1cccc2cc(C(=O)O[C@H]3CC[C@@H](C#N)C3)oc12 1342665423 YVJCGGXLNYCMJP-YPMHNXCESA-N 269.300 3.590 30 20 CHED N#CC[C@H](OC(=O)[C@H]1CCCC(F)(F)C1)c1ccco1 1350311648 NMLZLBUIGLYJHB-JQWIXIFHSA-N 283.274 3.603 30 20 CHED CC(C)c1ncsc1NC(=O)c1cc(C#N)ccc1F 1272901777 FPEXPFFDOSUKJI-UHFFFAOYSA-N 289.335 3.530 30 20 CHED C=C(C)CCC(=O)Nc1cccc(F)c1SC 1353739722 LLNUGHBNTRDJGI-UHFFFAOYSA-N 253.342 3.842 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cc2c(Cl)cncc2s1 1515210342 SJTSUPUXDOFVCZ-SNVBAGLBSA-N 294.763 3.655 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2ccccc2CC#N)cc1 1441118858 VAXFBZJOVPQXSP-AWEZNQCLSA-N 278.355 3.552 30 20 CHED C=C(C)CCC(=O)O[C@@H](C)c1nc2ccccc2o1 1517901890 HVVNMXSVLITUIR-NSHDSACASA-N 259.305 3.788 30 20 CHED Cc1nnc(N2C[C@H](C(C)C)c3ccccc32)c(C#N)c1C 1458353854 FIAVNKRAYNSLTM-MRXNPFEDSA-N 292.386 3.856 30 20 CHED N#CC[C@@H](OC(=O)c1ccccc1OC1CC1)c1ccco1 1526993240 QVUJKXYPJBZUTH-MRXNPFEDSA-N 297.310 3.633 30 20 CHED N#Cc1cccc(SCc2cnc3ccccc3n2)c1 1458975929 AYEDPFUDXQBBKF-UHFFFAOYSA-N 277.352 3.794 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C(C)C)cn2)c1 1528803068 ZOCMKKTURGMINC-UHFFFAOYSA-N 279.343 3.637 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CC3CCC2CC3)c(F)cc1F 1532510939 HWSVOOSILRSWCS-RTYFJBAXSA-N 290.313 3.601 30 20 CHED CCCCCCCCCCN1CC[C@](F)(C(=O)O)C1 1605266348 GGFNPIFUROTOSR-OAHLLOKOSA-N 273.392 3.626 30 20 CHED CS[C@H]1CCC[C@@H](Nc2nc(C)cc(C)c2C#N)C1 227359622 IXUDXFMMBIDUIW-OLZOCXBDSA-N 275.421 3.656 30 20 CHED Cc1nnc(S[C@@H](C)CCC#N)n1C1CCCCC1 1559316480 LEEHNIDNTMTJLG-NSHDSACASA-N 278.425 3.876 30 20 CHED CO[C@@H](COc1ccc(C#N)c(Cl)c1)CC(C)C 1559401282 XTQQLOMSOMNAMH-CYBMUJFWSA-N 267.756 3.652 30 20 CHED COc1ccccc1C[C@H](C)NCc1ccc(C#N)c(C)c1 1560457699 NSSKUNKRMYGJLK-HNNXBMFYSA-N 294.398 3.596 30 20 CHED CO[C@@H]1CCC[C@@H](Sc2cccc(F)c2C#N)C1 1641162999 PKMLNYPTDWDSHX-GHMZBOCLSA-N 265.353 3.747 30 20 CHED C=CC[C@H](SCc1ccc(OC)c(Cl)c1)C(=O)O 1588758808 JTHMFXNVZJETOM-LBPRGKRZSA-N 286.780 3.611 30 20 CHED N#Cc1ccc(NC(=O)[C@H](F)CC2CCCCC2)cc1F 1583075706 DZCNMLBURWZCDX-OAHLLOKOSA-N 292.329 3.944 30 20 CHED N#Cc1ccc2c(c1)CCCN2CCCC1CCOCC1 1658800861 FPNIIWNQZBVBON-UHFFFAOYSA-N 284.403 3.518 30 20 CHED Cc1cc(N[C@H]2CCC(C)(C)C[C@@H]2C)ncc1C#N 1655219711 NIYFNMZEYFEQEE-JSGCOSHPSA-N 257.381 3.888 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)Cc1cccc(C#N)n1 1651742087 OHOPOXXJWXAGAV-LJQANCHMSA-N 293.414 3.715 30 20 CHED CO[C@H](CNc1cccc(C#N)c1C)Cc1ccccc1 1658819863 RYLRUVRJWYDFKY-KRWDZBQOSA-N 280.371 3.536 30 20 CHED Cc1ccc(CCN[C@H]2CCc3cc(C#N)ccc32)cc1 1664568105 XHFHCKIZTHQCEG-IBGZPJMESA-N 276.383 3.686 30 20 CHED CN(C(=O)c1cccc(F)c1)c1ccc(C#N)c(Cl)c1 1596371219 UDAYGYULJLROLE-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=C(CNC(=O)[C@@H](CC)CC(C)C)c1ccccc1 1596356970 AKXNGEDZXWVRKV-HNNXBMFYSA-N 259.393 3.888 30 20 CHED N#Cc1c(F)cccc1CNCC(F)(F)c1ccccc1 1664923037 SPZZHXRQBYMDCQ-UHFFFAOYSA-N 290.288 3.579 30 20 CHED Cc1cc(Cl)ccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1596979441 YFWQFDCRHVMGEO-DGCLKSJQSA-N 277.751 3.888 30 20 CHED COc1cccc(C(C)=NNc2cccc(C(=O)O)c2C)c1 1776086431 UKLJPVNABOZFMF-UHFFFAOYSA-N 298.342 3.538 30 20 CHED O=C(/C=C/c1ccc(C(=O)O)s1)c1ccc(Cl)cc1 1776114806 BUEOQAYBDLESRR-FNORWQNLSA-N 292.743 3.996 30 20 CHED Cc1c(NN=C2CC[C@H]2CC(C)C)cccc1C(=O)O 1776089626 ALKMIWHSSSITGE-LBPRGKRZSA-N 274.364 3.917 30 20 CHED C=C(Cn1c(C)nnc1N(CC)CCCC)c1ccccc1 1690322148 WTLSZPAZIOIWLB-UHFFFAOYSA-N 298.434 3.926 30 20 CHED C=CCC(CC=C)C(=O)N1CCO[C@H](c2ccccc2C)C1 150865721 WVFHIBUGGKZRJZ-SFHVURJKSA-N 299.414 3.663 30 20 CHED C=CCN(C)C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 161792335 PIZPBFYHVYDSPS-ZDUSSCGKSA-N 285.309 3.843 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1 206976586 NYUAFVXFCFZMFU-FLIBITNWSA-N 277.323 3.853 30 20 CHED N#Cc1ccccc1CSCC/N=C/c1ccccc1O 5402423 DKAJPCUHFFKNGR-XDHOZWIPSA-N 296.395 3.616 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)[C@@H](C)CCC)CC1 153009398 GPMCKBFYZTWABR-RDJZCZTQSA-N 266.473 3.831 30 20 CHED CC(C)(C)c1cccc(OC[C@@H](C#N)CCC#N)c1 153088277 OVMINXGEGNSIPY-CYBMUJFWSA-N 256.349 3.806 30 20 CHED N#CCC[C@H](NC(=O)CCc1ccccc1)c1ccccc1 153124926 GHOJBRUBZCGZBU-SFHVURJKSA-N 292.382 3.780 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(Br)cc1 155625966 NHDNLUPSKOIZPS-GFCCVEGCSA-N 298.224 3.692 30 20 CHED C=C[C@H](CC(=O)Nc1ncc(C)s1)c1ccccc1 155648025 GHOBJDNFDMNVLT-GFCCVEGCSA-N 272.373 3.750 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H](c2ccccc2)CC1 154855661 RWIQYFWVFZDJKR-SFHVURJKSA-N 298.430 3.769 30 20 CHED CCCCCCCC(=O)N[C@H]1CCOC2(CCCC2)C1 159803198 QGDBAPGSDICXMJ-HNNXBMFYSA-N 281.440 3.955 30 20 CHED N#Cc1ccc(NC(=O)N2CCCCCCCC2)cc1 836195176 HTLCMLFWLASBPM-UHFFFAOYSA-N 271.364 3.746 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1Cl 135022862 DZMLEHCTAGDMNQ-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C#CCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 156422601 AJHZMMAGLWQYNP-ARFHVFGLSA-N 261.409 3.513 30 20 CHED N#Cc1cccc(OCCOc2cccc(Cl)c2)c1 34651462 XYFXSUQBYRNHIY-UHFFFAOYSA-N 273.719 3.669 30 20 CHED CN(Cc1ccco1)c1ccc(C(F)(F)F)cc1C#N 35702414 OCRLMYNRYVRERS-UHFFFAOYSA-N 280.249 3.806 30 20 CHED C[C@H](NCCCc1ccccc1)c1cccc(C#N)c1 37218464 ATWATPQFIQEWPG-HNNXBMFYSA-N 264.372 3.842 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1Nc1ccc(C#N)cn1 301851098 BDVHCEOCYNFRFH-YVEFUNNKSA-N 263.344 3.689 30 20 CHED N#Cc1cccc(NC(=O)Nc2ccc(O)c(Cl)c2)c1 70333889 MBYPGFLZGPMAJC-UHFFFAOYSA-N 287.706 3.561 30 20 CHED Cc1cc(C#N)cc(NCc2ccc(F)c(F)c2)c1 308115771 XSTURSGZMPGVTR-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1NCc1ccc(C#N)c(F)c1 404862946 XOWDOWYBJWFRPF-IAQYHMDHSA-N 260.356 3.612 30 20 CHED Cc1cc(C#N)ccc1CN1C2CCCC1CCC2 614402026 IHBQZBYEJYNWBI-UHFFFAOYSA-N 254.377 3.774 30 20 CHED C=CCC(C)(C)CNCc1cnn(-c2ccccc2)c1 336837007 YEKGWCLGFNDQLT-UHFFFAOYSA-N 269.392 3.564 30 20 CHED C=C(C)CN1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 475729367 WYSUZINYYOXUNV-LJQANCHMSA-N 284.447 3.551 30 20 CHED CC1(C)CCCC[C@H]1NCCc1cccc(C#N)c1 576561995 ASCAMSGMIOAXLE-MRXNPFEDSA-N 256.393 3.659 30 20 CHED C=CCCN1CCC2(CCN(Cc3ccccc3)CC2)C1 362397911 TZPNYPFVELYZCZ-UHFFFAOYSA-N 284.447 3.551 30 20 CHED C[C@@H](C#N)OCCNc1ccccc1-c1ccccc1 380048458 BPJXUXGKRNFHTD-AWEZNQCLSA-N 266.344 3.694 30 20 CHED C#C[C@](C)(CC)NC(=O)c1cc(Cl)ccc1Cl 384218271 RJHRPZRATFOAGM-CYBMUJFWSA-N 270.159 3.525 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CC1CCCC1 695698502 YOIPIJGOMOEMKE-UHFFFAOYSA-N 262.740 3.730 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCSc2ccc(Cl)cc21 341869564 AUPYWECSMNKBEY-FZMZJTMJSA-N 297.851 3.651 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ncc(C)s1 172685216 BCYHDKFPDXSIJP-UHFFFAOYSA-N 267.398 3.662 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cccs2)cc1 103044609 NADFNCVGNLDNDV-KTKRTIGZSA-N 257.358 3.710 30 20 CHED N#Cc1ccccc1OCc1nc(C2CCCCC2)no1 109528092 CBOSZOCFQWNIED-UHFFFAOYSA-N 283.331 3.568 30 20 CHED Cc1[nH]c2c(C(=O)O[C@@H]3CC[C@H](C#N)C3)cccc2c1C 179877137 RZIRSAAZVKXYAU-QWHCGFSZSA-N 282.343 3.634 30 20 CHED CCC(CC)[C@H](NC(=O)CSCC#N)c1cccs1 56008371 HOXYFNDDVPPVTL-AWEZNQCLSA-N 296.461 3.598 30 20 CHED CO[C@@H](CSCC1(C#N)CCC1)c1ccccc1 419485334 DHXZAGCKONYGMA-AWEZNQCLSA-N 261.390 3.801 30 20 CHED C=CCN(CC=C)C(=O)CNc1ccc(Cl)cc1Cl 66192175 JTNBIVPKEDTULA-UHFFFAOYSA-N 299.201 3.606 30 20 CHED C=C(C)CNC(=S)N[C@H]1CC(C)(C)Cc2oc(C)cc21 54944823 QDYGDUMQGWQTHX-ZDUSSCGKSA-N 292.448 3.642 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H](OC)c2ccccc2)cc1 173524455 LNVPLROKSTZGIY-KRWDZBQOSA-N 298.338 3.545 30 20 CHED C[C@H](CCc1ccc2c(c1)OCO2)Nc1ccc(C#N)cc1 20828581 CEMXWPOMDBROPC-CYBMUJFWSA-N 294.354 3.720 30 20 CHED C=C(C)CSCC(=O)N[C@@H](C)c1ccccc1Cl 177867582 FRKGLFUAJPHLBX-NSHDSACASA-N 283.824 3.827 30 20 CHED Cc1cc(CNc2ccc(C#N)cn2)ccc1Cl 302165033 ZRBKARJSJMEVCY-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CN(CCCc1ccccc1)c1snc(Cl)c1C#N 301067899 CQYNACUGLFOXJA-UHFFFAOYSA-N 291.807 3.737 30 20 CHED COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1F 174429302 KPCSWRJHPSDFEZ-GFCCVEGCSA-N 284.334 3.557 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3ccccn23)s1 119124697 OVRVCVJJRDCOSU-VOTSOKGWSA-N 268.341 3.600 30 20 CHED C=CC[C@H](C)NC(=O)NCC1(Sc2ccccc2)CC1 116973838 QUJBUEPZOVQXRW-ZDUSSCGKSA-N 290.432 3.575 30 20 CHED Cc1ccc(SCC(=O)Nc2sccc2C#N)s1 1644009144 DSTLSHPADHHTCJ-UHFFFAOYSA-N 294.426 3.721 30 20 CHED CC[C@H](C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 66394669 CLYFNLSHUYFJAS-KWQFWETISA-N 285.174 3.720 30 20 CHED N#Cc1ccc(OCc2cc(-c3ccccc3)on2)cc1F 66749073 WQUBIWKXGQEHIF-UHFFFAOYSA-N 294.285 3.931 30 20 CHED CCOc1ccc(CNc2ccc(OCC#N)cc2)cc1 20126388 WTFXGDJCHMUWQJ-UHFFFAOYSA-N 282.343 3.600 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1C(=O)c1ccccc1 116856268 GPQIGJAQDMSVCB-AWEZNQCLSA-N 293.366 3.612 30 20 CHED Cc1nc(C(=O)N(C)c2cccc(C(C)C)c2)ccc1C#N 67768220 YGPOXEWZROITAJ-UHFFFAOYSA-N 293.370 3.662 30 20 CHED CN(C(=O)c1cccc(CC#N)c1)C1CCC(C)(C)CC1 176032381 ONXSCKNXWLKJHY-UHFFFAOYSA-N 284.403 3.793 30 20 CHED Cc1nc(C(=O)Nc2ccc3ccccc3c2)ccc1C#N 31872844 WCAPAKLPBCRVEW-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1cc(C)cc(C(=O)Nc2ccc(F)cc2OCC#N)c1 120269042 PCBISSQIUWJLFK-UHFFFAOYSA-N 298.317 3.597 30 20 CHED N#Cc1cc(Cl)ccc1CN(Cc1cccnc1)C1CC1 187360156 MMWVYAHXULCILT-UHFFFAOYSA-N 297.789 3.771 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(C#N)c1 72692697 QQFKCPVCWGWQLU-UHFFFAOYSA-N 269.392 3.710 30 20 CHED C=CCC[C@H](Nc1ccc(OC)c(NC(C)=O)c1)C1CC1 182111543 OVUOOKFPKKRHJW-HNNXBMFYSA-N 288.391 3.810 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(N(CC)CCC)cc1 180397480 WDPJOFAQIZFWCC-UHFFFAOYSA-N 274.408 3.571 30 20 CHED C[C@@H]1SCCN(Cc2ccc(Cl)cc2C#N)[C@H]1C 187056852 YWTGJPYXAZDPPE-QWRGUYRKSA-N 280.824 3.537 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 77012544 SDULJNVHEJFUKX-UHFFFAOYSA-N 280.371 3.611 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 410127412 MTSZHZKWFNLRIZ-CMPLNLGQSA-N 267.319 3.539 30 20 CHED N#Cc1cc(Cl)ccc1CNc1ccc(F)cc1 187703385 DKSOQJJZVAQFEF-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1C[C@@H]1C1CC1 410378535 MSLKLWURPVJFLZ-CABCVRRESA-N 255.361 3.790 30 20 CHED C=CC[C@H](C(=O)N1CCC(C)(C)C1)c1ccccc1 189941289 CCRBTZPBIBKEMM-HNNXBMFYSA-N 257.377 3.605 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)CCCSCC#N 74991683 FMLZEQXLCMGEJL-KRWDZBQOSA-N 290.476 3.895 30 20 CHED Cc1cccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 210605007 JMPYCZKHCWNVIL-HJWRWDBZSA-N 267.284 3.799 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(Cl)c(OC)c2)c1 128332809 ZJVMQTQOFHPBCO-UHFFFAOYSA-N 285.730 3.582 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2c(C)nn(C)c2C)cc1C 210859001 SHZWPVBMZODONR-FPLPWBNLSA-N 282.387 3.858 30 20 CHED CCCN(CCC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419615417 QAJNPISHOUWXOR-QGZVFWFLSA-N 299.418 3.767 30 20 CHED C=C[C@H](CC(=O)Nc1ccccc1)c1ccccc1 121510783 GBEXPLRKFNRBCT-CQSZACIVSA-N 251.329 3.985 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1ccc(F)nc1)C2=O 186423158 ZVTTUUBRVNOLJE-KSSSLANASA-N 267.303 3.913 30 20 CHED C=CC[C@H](C)N[C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 184169026 UIKXOFJILFLQBZ-QWHCGFSZSA-N 284.403 3.588 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1C(F)(F)F 72499631 UCHPJEIXTQJBPF-SNVBAGLBSA-N 294.276 3.872 30 20 CHED CC(C)[C@@H]1CCCN1Cc1cccc(OCCCC#N)c1 507114937 DBQHADGBHDVNMY-SFHVURJKSA-N 286.419 3.990 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1ccccc1C 185506521 UWZHHWYFMIYNCT-UHFFFAOYSA-N 280.327 3.651 30 20 CHED C=C(C)CN1CCC(NC2CC(c3ccc(C)cc3)C2)CC1 180628307 VSWBZSJHWLOSOE-UHFFFAOYSA-N 298.474 3.871 30 20 CHED C#CCCCCC(=O)Oc1cc(Br)ccc1F 133343373 DKVLAGNGSIWCCV-UHFFFAOYSA-N 299.139 3.687 30 20 CHED COc1cc(C#N)ccc1COc1ccc(F)cc1C 500868970 QRAMSEURUSWMIN-UHFFFAOYSA-N 271.291 3.593 30 20 CHED COc1ccc([C@@H](NCCCCC#N)C(F)(F)F)cc1 183402323 VMJSTLRCSOYXSB-CYBMUJFWSA-N 286.297 3.582 30 20 CHED N#C[C@@H](C(=O)c1cccc(C(F)(F)F)c1)c1ccccn1 46439658 UJXNWUIGLOZMOI-GFCCVEGCSA-N 290.244 3.590 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(F)c(Cl)cc1F 410124153 VLRQZSXUXAMOHL-MRVPVSSYSA-N 273.710 3.703 30 20 CHED N#Cc1cccc(NC(=O)CCc2ccc(Cl)s2)c1 44277920 OHDXEEYYGHISTE-UHFFFAOYSA-N 290.775 3.844 30 20 CHED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@H]1C 501807029 UPNQFTLVZSONGY-HUUCEWRRSA-N 270.420 3.966 30 20 CHED Cc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1Cl 47861509 PQPPBVPRAXBLDF-UHFFFAOYSA-N 299.761 3.842 30 20 CHED N#CCCN(CC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 130614202 KREGZHHDYODHID-YESZJQIVSA-N 288.435 3.745 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)s1 48625235 JZXMBHPBKYYTJA-HWKANZROSA-N 270.353 3.888 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1sccc1C 45403866 CCNSXIIDIXFOAW-UHFFFAOYSA-N 298.411 3.981 30 20 CHED Cc1nnsc1C/N=C(/O)[C@@H]1C[C@H]1C1CCCCC1 329085134 GEPWQXLSHGFBIE-NWDGAFQWSA-N 279.409 3.519 30 20 CHED CCc1cccc(F)c1CNCc1ccc(C#N)s1 421352420 QRTUDBYVLYFGBC-UHFFFAOYSA-N 274.364 3.611 30 20 CHED O/C(=N\C1CCC(/C(O)=N\CC2CCC2)CC1)C1CC1 329941748 CJDLRTVFYKQDTQ-UHFFFAOYSA-N 278.396 3.668 30 20 CHED C[C@@H](/C(O)=N/C1CCC(C)(C)CC1)c1cncnc1 329213089 IVTRGHPGGVJGCX-LLVKDONJSA-N 261.369 3.505 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(OCCCC#N)c1 190761721 NIFRZAQPXQDYHZ-QGZVFWFLSA-N 286.375 3.910 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(Br)cc(F)c1O 134928637 KSOHUUJFHYBNDU-SFYZADRCSA-N 288.160 3.519 30 20 CHED OC1=Nc2cc(N=C(O)[C@H]3CCSC3)ccc2CC1 329991325 JTTUYHKGMBNYFZ-JTQLQIEISA-N 276.361 3.562 30 20 CHED C#CCCCC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 192171555 JEBCRTRWXSYIBV-UHFFFAOYSA-N 295.329 3.884 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)c1ccccc1OC(F)F 426614117 YNCCTPSROJYLNV-SNVBAGLBSA-N 289.285 3.728 30 20 CHED C=C[C@@H]1CCCCN1CC1=Cc2ccccc2OC1 426562140 ZRHWURCWDVPRQM-MRXNPFEDSA-N 255.361 3.503 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](C)[C@@H](C)CC)c1 512723714 XBNFBPBPOXXPAQ-QWHCGFSZSA-N 276.380 3.808 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425637823 MBZHFMMLUHANCP-GUYCJALGSA-N 270.376 3.680 30 20 CHED COc1ccc([C@@H](C)Nc2nc(C)cc(C)c2C#N)cc1 88218832 SIYIRMIAJFQBKU-CYBMUJFWSA-N 281.359 3.752 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1csc(-c2cccs2)n1 80384923 ACYMTCMPTWWFLU-JTQLQIEISA-N 292.385 3.577 30 20 CHED C=CCC1(C(=O)N2CCc3ccccc3[C@@H]2C)CCC1 191916137 MPDFJNXGBYZQLA-AWEZNQCLSA-N 269.388 3.879 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 192692407 HFPSAYOTPOPLTF-GHXNOFRVSA-N 293.388 3.603 30 20 CHED C=CCCOCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 144461110 ZDNRTNMVPZAINP-AWEZNQCLSA-N 281.783 3.500 30 20 CHED N#Cc1ccc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 332485628 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Cc1ccc2[nH]c(C(=O)N3CCC(CC#N)CC3)cc2c1C 335978713 RXXRVLSOSNSAJH-UHFFFAOYSA-N 295.386 3.551 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)NCC1(CC#N)CC1 431045923 SQYCHZBCYZBOIV-UHFFFAOYSA-N 299.418 3.548 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)cc2)c(F)c1Cl 436329289 XUKIOBUSIDHROJ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1sccc1C(C)C 437491843 BMEJXLCOKORERN-TZMCWYRMSA-N 293.432 3.583 30 20 CHED C=CCOc1ccc(CNc2ncc(C)s2)cc1 343235803 RVOQPQKSJUBERM-UHFFFAOYSA-N 260.362 3.628 30 20 CHED C[C@@H](c1ncc(-c2ccccc2)o1)N(C)CC(C)(C)C#N 433302553 XXDLLDMZVMBRLJ-ZDUSSCGKSA-N 283.375 3.884 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@H](C)C2(C)CC2)cc1 246485271 OZEYUOBQNSJDCI-UONOGXRCSA-N 272.392 3.598 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 245422640 ACSIERODDKVACJ-RVMXOQNASA-N 288.416 3.879 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@H]1CCCC(C)(C)C1 345889987 QWKDFNAITRPLAR-ZDUSSCGKSA-N 264.413 3.649 30 20 CHED C=CCCN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 346843076 JIAILJIYFJXXDL-UHFFFAOYSA-N 282.387 3.695 30 20 CHED CC[C@H](NCc1ccc(F)cc1C#N)c1ccccc1 341210784 NVOLWRPZUWQDRS-KRWDZBQOSA-N 268.335 3.938 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 608962608 PCQMSNQEMSJQQS-RRFJBIMHSA-N 278.440 3.893 30 20 CHED N#CCC1(CNC2CCC(c3ccccc3)CC2)CC1 430743075 NSCDVNQUBBTJLI-UHFFFAOYSA-N 268.404 3.996 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-c2cccs2)o1 341296462 BKIZGJAZZMNUPK-JTQLQIEISA-N 261.346 3.703 30 20 CHED N#Cc1ccccc1CN1CCc2ccc(Cl)cc2C1 341680165 DYLUQUHMOXAMHR-UHFFFAOYSA-N 282.774 3.770 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1CCCSCC#N 342156640 CFNRMAAQSYPGSA-KGLIPLIRSA-N 254.443 3.534 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cc(Cl)ccc1O 255913855 FKQALEKQRMGZTH-YVMONPNESA-N 298.729 3.569 30 20 CHED C=C(Br)CN(C)[C@H](C)c1ccccc1F 52441897 VRNOUGDWZYDOEQ-SNVBAGLBSA-N 272.161 3.727 30 20 CHED C=CCC[C@@H](NC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 448131745 APZJQPCYGNRIOH-BSDSXHPESA-N 271.404 3.851 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@@H](C)CC1(C#N)CCOCC1)CC2 602697170 DCOYQJNLDXVTHN-YJBOKZPZSA-N 298.430 3.671 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(-c2nc(C)no2)ccc1C 526943099 PEIURQPQTOPJLD-QGZVFWFLSA-N 299.374 3.894 30 20 CHED N#Cc1c(F)cccc1SCc1noc(C2CCC2)n1 600555345 KDQIZASVYSBQAS-UHFFFAOYSA-N 289.335 3.640 30 20 CHED CC(C)[C@H](NC(=O)[C@H](C)C#N)c1cccc(C(F)(F)F)c1 609848102 XSYRXMXHTRHCJB-MFKMUULPSA-N 298.308 3.678 30 20 CHED CSCCc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 442892538 VKQZJECXMVJKRV-ZFWWWQNUSA-N 260.406 3.696 30 20 CHED C=CCOCCCSCc1cccc(-n2cccn2)c1 359131027 LROPJFRCPIMSPW-UHFFFAOYSA-N 288.416 3.698 30 20 CHED CC(C)[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1 602780842 AHGNEEZBKSSWDN-OAHLLOKOSA-N 260.356 3.806 30 20 CHED CCC[C@@H](C#N)NC(=O)C(C)(C)c1ccc(Cl)cc1F 530404952 DHBYJGSPLCKSOM-NSHDSACASA-N 296.773 3.565 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 448927114 XCRSIIUVOMPJLR-BPLDGKMQSA-N 290.794 3.703 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cc(C#N)[nH]c2C)c1 448668825 VWFQRYQRDKJURW-CQSZACIVSA-N 295.386 3.645 30 20 CHED C=CCCC1(C(=O)NC[C@H](OCC)c2ccccc2)CC1 357117115 CHYHHYDSZMOJAL-INIZCTEOSA-N 287.403 3.627 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C 537478276 YUTCOERXWTUMQE-MGPQQGTHSA-N 269.429 3.543 30 20 CHED CN(C)[C@@H](CNc1cccc(Cl)c1C#N)c1ccco1 266390374 VQFPTQFNZNNAAZ-AWEZNQCLSA-N 289.766 3.519 30 20 CHED CC1(C)CC[C@H](C(=O)NCc2ccc(C#N)c(Cl)c2)C1 619766173 QMDSLTJWBYTMPX-LBPRGKRZSA-N 290.794 3.654 30 20 CHED N#Cc1ccc(N2CC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 610282607 LIOZZJLCFKWGCL-AWEZNQCLSA-N 297.289 3.557 30 20 CHED C[C@@H](CCc1ccccc1)N1CCC[C@@](C)(C#N)C1 612164769 IQISBZUUDYIARC-RDJZCZTQSA-N 256.393 3.633 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1OCC=C 539432619 DFRSUXQGWNSMNN-AWEZNQCLSA-N 273.376 3.726 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@@H](C)C1 537339369 UCHICBWFNNKYQT-NVXWUHKLSA-N 271.404 3.680 30 20 CHED N#CC1(CN2C[C@@H](c3ccccc3)c3ccccc32)CC1 444773888 GUWMZYIPISLXSE-KRWDZBQOSA-N 274.367 3.942 30 20 CHED C=CCN(Cc1ncc(-c2ccccc2)s1)C1CC1 357524754 CHZBLYNSIMULSC-UHFFFAOYSA-N 270.401 3.961 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(F)ccc1Cl 351622388 CSHSQTPDYVLWPE-LLVKDONJSA-N 267.731 3.660 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@H](CC)C(C)C)C1 617784080 MWLKAJAMWLNKAZ-LSDHHAIUSA-N 251.414 3.873 30 20 CHED C=CCOCCCSCCC(=O)Nc1ccccc1C 359122181 GYZBWJWBGMWRMJ-UHFFFAOYSA-N 293.432 3.650 30 20 CHED C#Cc1cccc(NC(=O)Cc2nc(C(C)C)c(C)s2)c1 269637098 MYJQJXHLXRDNCV-UHFFFAOYSA-N 298.411 3.737 30 20 CHED C=C(C)[C@H](CC(=O)N(C(C)C)C1CCCCC1)OCC 534472570 FDAGBBBBGFOPOS-INIZCTEOSA-N 281.440 3.927 30 20 CHED COc1cc(C#N)ccc1CSc1cc(C)cc(C)n1 615683306 BQFQESKELKECBW-UHFFFAOYSA-N 284.384 3.871 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H]1CCCCC(F)(F)C1 451946416 LIZAFGOQVUUGSK-LLVKDONJSA-N 259.340 3.530 30 20 CHED Cc1nc(CCN[C@H]2CCCc3cc(C#N)ccc32)cs1 611390709 QBICAXNWZFRZIX-KRWDZBQOSA-N 297.427 3.533 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 360649840 WMKWSGRHWBUDCS-CXAGYDPISA-N 254.377 3.880 30 20 CHED C=CCC1(C(=O)N[C@H](C)CC(F)(F)F)CCCC1 450655815 XRDSAELHSRNMNS-SNVBAGLBSA-N 263.303 3.580 30 20 CHED C=CC[C@H]1N(C(=O)C[C@H]2C[C@H]3CC[C@H]2O3)CCCC1(C)C 456035997 JIJRGXJHLCBHQO-KLHDSHLOSA-N 291.435 3.537 30 20 CHED Cc1cccc(C2(C(=O)Nc3ccc(C#N)c(F)c3)CC2)c1 362301073 PXTDXGBAFDYYQO-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C=CCC[C@H](CO)N[C@H]1CCSc2c(Cl)cccc21 453370624 UJGMRTWWYUEVTL-RISCZKNCSA-N 297.851 3.794 30 20 CHED C=C(C)CCN1CCC(n2ccc(C(F)(F)F)n2)CC1 274866549 VYXBGPNRINGPNA-UHFFFAOYSA-N 287.329 3.505 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1c(F)cccc1F 271756648 LUMAXIJGUMJJRM-NSHDSACASA-N 266.335 3.945 30 20 CHED C=C(CC)CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 455023349 MNGJRFSQJFAYKP-UHFFFAOYSA-N 294.305 3.588 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1C 548279392 MMTWTEQIVDQPTN-HFAKWTLXSA-N 290.794 3.766 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC1CC1)CC1CC1 540490104 MEIOBIANNBCEOQ-ZDUSSCGKSA-N 264.413 3.563 30 20 CHED C=CCCC1(C(=O)N(Cc2ccccc2)C2CC2)CC1 361750007 WDTHBIVFKOOVDO-UHFFFAOYSA-N 269.388 3.924 30 20 CHED C#CCC1(C(=O)Nc2ncccc2Cl)CCCCC1 276408848 GTHQGVJVLLFQCT-UHFFFAOYSA-N 276.767 3.647 30 20 CHED CN(C(=O)CCCC#N)c1nc2cccc(Cl)c2s1 362225869 WQDJEVQRFHXCSQ-UHFFFAOYSA-N 293.779 3.606 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(OCCC)c(OC)c1 540352394 ZSOMPZWZFKNMIH-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCCCC2(F)F)CC1 452315888 WHWMCRCUMXCMSB-LBPRGKRZSA-N 271.351 3.675 30 20 CHED C=C(C)CCNC(=O)c1c(-c2ccccc2)noc1CC 452718068 OBGQKLYFEGKZIS-UHFFFAOYSA-N 284.359 3.600 30 20 CHED CC(C)CN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(C)C 618848534 XXVCFUWKRHBCBW-QGZVFWFLSA-N 299.418 3.622 30 20 CHED CC#CCCNC(=O)Nc1ccc(C(F)(F)F)c(C)c1 541777020 RWUDRDQWVNOYPE-UHFFFAOYSA-N 284.281 3.549 30 20 CHED C[C@@H]1CCC[C@H](CNCC(C)(C)CCC#N)[C@@H]1C 360772897 OQGSJTOMCGMVSY-RBSFLKMASA-N 250.430 3.978 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 278686436 DUZZUCJELNDMFD-JTQLQIEISA-N 298.308 3.822 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C(=O)C(C)C)cc1 455787454 CYPXWNJLEOALKG-UHFFFAOYSA-N 274.364 3.565 30 20 CHED Cc1nc(C2CCCCC2)sc1C(=O)NCCCC#N 544089910 BUPIIZPKLWZOID-UHFFFAOYSA-N 291.420 3.533 30 20 CHED C=CCC[C@@H](C)NC1CCC(O)(c2ccccc2)CC1 273939310 GCZQARUMGMHVFG-FAEJEUNOSA-N 273.420 3.761 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 626687552 ZEISMBWAOLAYIR-IXDOHACOSA-N 269.388 3.666 30 20 CHED C[C@@H](CCC#N)N1CC[C@H](CSc2ccccc2)C1 276304786 KUGQHOCCUOIIBB-GJZGRUSLSA-N 274.433 3.793 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(F)c(OC(C)C)c(F)c1 541467124 VAYKQNUGRFXSRG-JTQLQIEISA-N 298.333 3.838 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H](C)C(C)(C)C1 545430156 XLEFKUNHHVULAX-OAHLLOKOSA-N 281.440 3.644 30 20 CHED Cc1ccnc(N2C[C@@H](c3ccccc3)C[C@@H]2C)c1C#N 542277044 JBBOTHYGIHBGLG-HOCLYGCPSA-N 277.371 3.644 30 20 CHED C[C@H](C(=O)NCC(C)(C)C1CCCC1)c1cccc(C#N)c1 462232040 LCOLVOXNLNZMGP-AWEZNQCLSA-N 298.430 3.994 30 20 CHED CCCC(CCC)[S@@](=O)Cc1ccc(CC#N)cc1 543125586 BURKAVODJBFNRK-IBGZPJMESA-N 277.433 3.970 30 20 CHED CCC[C@H](CC)NC(=O)c1cc(C#N)ccc1Cl 285167374 PZYUHXSZXFVOMI-NSHDSACASA-N 264.756 3.520 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2oc(C)nc2c1 620857248 UGSJTIWJBITOEN-UHFFFAOYSA-N 272.348 3.611 30 20 CHED CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 280484421 DXDAHXOQOWUQRE-OLZOCXBDSA-N 272.392 3.652 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)CCC1CCCCC1 467011223 UJBGNSCELWLKRO-AWEZNQCLSA-N 266.429 3.953 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2cc(F)c(C)cc2s1 285792506 CSKFOKZEBOJUCW-CQSZACIVSA-N 291.351 3.622 30 20 CHED Cc1ccc2nc(C(=O)N[C@@](C)(C#N)CC(C)C)ccc2c1 559371559 XUBFOHKHQWTYGZ-GOSISDBHSA-N 295.386 3.601 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1cccc2ccccc12 285131692 WINHTSRLWJHFCD-ACJLOTCBSA-N 280.371 3.957 30 20 CHED C=CCC1(c2nc(-c3nccc4[nH]ccc34)no2)CCC1 289058936 IDIPRTPNONMWPI-UHFFFAOYSA-N 280.331 3.611 30 20 CHED C=CCN(Cc1ccccc1)Cc1cn(C)nc1C(C)(C)C 553134369 CBKHPWLUYYYGER-UHFFFAOYSA-N 297.446 3.906 30 20 CHED C[C@@H](CCC1CC1)N[C@@H](C)c1ccc(C#N)c(F)c1 469808014 JPDCSDXZRSWGAT-RYUDHWBXSA-N 260.356 3.927 30 20 CHED C[C@H](C#N)CNCc1cnc(-c2ccc(Cl)cc2)s1 551804270 REEIOLDYXCPZBW-SNVBAGLBSA-N 291.807 3.713 30 20 CHED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](C)C(C)C 280725419 KOXSKXAKLURIJU-CQSZACIVSA-N 286.419 3.994 30 20 CHED CSc1ccc(CCN[C@H]2CCC[C@H](C#N)C2)cc1 280717405 FJGIVEZGBCKHSG-GJZGRUSLSA-N 274.433 3.623 30 20 CHED C#CCCCC(=O)N1CCC(c2cccc(Cl)c2)CC1 280199082 MMOGERCZQFYTLP-UHFFFAOYSA-N 289.806 3.850 30 20 CHED C=CCCCC(=O)N(C)Cc1cc(Cl)ccc1F 470062361 NUVMVVAGQRAAHA-UHFFFAOYSA-N 269.747 3.794 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@@H](O)[C@H](C)C1 806944190 TVAROCRRGVNQMV-HZPDHXFCSA-N 298.471 3.539 30 20 CHED CC(C)[C@@H](C#N)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 470156683 QRXYCWAZSZTSQN-FGTMMUONSA-N 292.382 3.608 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(C)cc(C)c1O 634240880 HTWUEAPKVOPOGK-UHFFFAOYSA-N 291.391 3.711 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OCC)c(F)c2)CC1 475021788 GNDUYDJFASCFMR-UHFFFAOYSA-N 277.339 3.909 30 20 CHED C[C@@H]1CC(=NNc2ccnc(F)c2)c2ccccc21 807982591 GKSRHMDQVYZTIB-SNVBAGLBSA-N 255.296 3.544 30 20 CHED CC1(C)CC[C@H](NC(=O)CCCC#N)c2ccccc21 292253794 HIYWYLZIPIQRCG-HNNXBMFYSA-N 270.376 3.609 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1cc(C)cc(C)c1)C1CC1 800993175 WGQZIAQBLJDYJD-MSOLQXFVSA-N 273.420 3.671 30 20 CHED Cc1cccc(C(=O)/C=C/c2cnn(CC(F)F)c2)c1C 292313004 LODRJFFCJNPZGH-VOTSOKGWSA-N 290.313 3.661 30 20 CHED C=CCC1(C(=O)Nc2cnn(C(C)C)c2)CCCCC1 562643503 WAFZXMOCNNJRKL-UHFFFAOYSA-N 275.396 3.929 30 20 CHED Cc1csc(C(=O)Nc2sc3c(c2C#N)CCC3)c1 293727934 QEWGFPKUDLLWDO-UHFFFAOYSA-N 288.397 3.731 30 20 CHED N#CCCCCCC(=O)Oc1ccc2cccnc2c1 805939982 YQVIWQPRCNJQOK-UHFFFAOYSA-N 268.316 3.614 30 20 CHED Cc1cc(OCCO[C@H](C)C#N)c(C(C)(C)C)cc1F 802734792 PCXPVIRWQQUPED-GFCCVEGCSA-N 279.355 3.739 30 20 CHED Cc1cccc(CNc2ncccc2OCCCC#N)c1F 296196364 YUAGGIZEHYSTGJ-UHFFFAOYSA-N 299.349 3.824 30 20 CHED C=CCCCCCCNC(=O)C1(SC)CCC1 805220289 KUSYCXKSUBDAAZ-UHFFFAOYSA-N 255.427 3.525 30 20 CHED C=C(C)CCOC(=O)c1ccc(Cl)c(N)c1Cl 803503392 NQBFXRDHZADAID-UHFFFAOYSA-N 274.147 3.699 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2c(C)noc2C)CCCC1 648929924 QMWIWLURTFOKBW-LLVKDONJSA-N 276.380 3.605 30 20 CHED CC#CC(=O)Nc1cc(-c2ccc(C)o2)ccc1C 801297900 RNDYJTPJVQHOKS-UHFFFAOYSA-N 253.301 3.525 30 20 CHED CN(C)c1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1 806577562 DTNQXPOPHHHKBT-FMIVXFBMSA-N 298.773 3.623 30 20 CHED CC(C)N(CC#Cc1cccc(Cl)c1)CC1CC1 569184639 NYXJHXQWVNXTMQ-UHFFFAOYSA-N 261.796 3.812 30 20 CHED Cc1cccc([C@H](NC(=O)CCCC#N)C(C)(C)C)c1 292025726 ZVZVBTONJVUVMM-INIZCTEOSA-N 272.392 3.892 30 20 CHED C[C@H]1CCC(=NNc2nccnc2C2CCC2)[C@H](C)C1 807992094 ZGGAKEJLDKYWGY-NWDGAFQWSA-N 272.396 3.968 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C[C@@H]2C=CCC2)cc1 568156866 HWLLEQZUAWRLLB-NVXWUHKLSA-N 282.387 3.628 30 20 CHED CCOc1ccc(NN=C(CCOC)C(C)C)cc1 814984621 RPTHKFOPYGZWSI-UHFFFAOYSA-N 264.369 3.546 30 20 CHED Cc1ccnc(N2CCC(C)(C(C)C)CC2)c1C#N 489894796 ZRCPCBSYLCIFTD-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(-c2cccc(F)c2)no1 642247918 LUPUQDWQXNFPOU-UHFFFAOYSA-N 288.322 3.519 30 20 CHED N#CCCSCc1ccc(OCc2ccncc2)cc1 563309697 CAGIVWZSDRLNLO-UHFFFAOYSA-N 284.384 3.807 30 20 CHED Oc1ccc2ccccc2c1C=NOCCC1CC1 814246303 ZEOWSVNGUAUWOW-UHFFFAOYSA-N 255.317 3.696 30 20 CHED Cc1ccc(Nc2ccccc2C(=O)NCCCC#N)cc1 569529299 WTPNJQANRYPTOT-UHFFFAOYSA-N 293.370 3.772 30 20 CHED CC(C)Cc1ccc(C=NNC[C@@H]2CCSC2)cc1 811657604 BPXNLLPRRZXPOV-INIZCTEOSA-N 276.449 3.562 30 20 CHED Fc1cccnc1NN=C1CC[C@H](c2ccccc2)C1 814927413 NJFWGPALNSIUNX-ZDUSSCGKSA-N 269.323 3.956 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1Cc1ccccc1C 815620191 KAKHBRWDCSYHCD-OAHLLOKOSA-N 293.357 3.740 30 20 CHED Cc1ccc2ncc(C#N)c(OCC(F)(F)C(F)F)c2c1 813577530 VYKRIHBIBHVHQI-UHFFFAOYSA-N 298.239 3.694 30 20 CHED C=CCCc1ccccc1NCc1cnn(C)c1Cl 815139389 ZBCQMIAQXMYOCB-UHFFFAOYSA-N 275.783 3.804 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C2CCC2)cc1 489774589 JEYTYEDUVXXZSV-UHFFFAOYSA-N 258.365 3.994 30 20 CHED C=CCC(F)(F)C(=O)NCc1cccc(C(C)C)c1 816171973 ULDUYDGOGBEFRA-UHFFFAOYSA-N 267.319 3.638 30 20 CHED N#CCC1CCN(Cc2cccc(-c3cccnc3)c2)CC1 576732438 USDDPBJBDORXGC-UHFFFAOYSA-N 291.398 3.874 30 20 CHED C[C@H]1CCC(=NNc2cccc(C(F)(F)F)n2)C1 814853625 RJEWADCRMIYVJV-QMMMGPOBSA-N 257.259 3.688 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)C[C@H]1CC 571809495 NYNHPYRYEUNOMU-GOEBONIOSA-N 296.418 3.756 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 815080233 LKZIOLRBOSIAJI-UHFFFAOYSA-N 295.116 3.726 30 20 CHED C=CC[C@@H](C(=O)N1CCC(C)=C(C)C1)c1ccccc1 482874382 IIXYCZDZOFJOFG-QGZVFWFLSA-N 269.388 3.915 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2cccc(C)c2o1 488869051 PRVQTRNSDXDVKQ-AWEZNQCLSA-N 269.344 3.922 30 20 CHED CC(=NOCCOC(C)C)c1oc2ccccc2c1C 812237720 KXSZEQVFUDZIMY-UHFFFAOYSA-N 275.348 3.907 30 20 CHED C#CC1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 700605935 SSJYPPRHGXWTSA-UHFFFAOYSA-N 287.359 3.526 30 20 CHED C[C@@H](N[C@@H]1CCc2cccnc2CC1)c1cccc(C#N)c1 817578677 OAVVISXGIUPSIC-RDTXWAMCSA-N 291.398 3.551 30 20 CHED C=CC[C@H](C(=O)N(C)[C@@H]1CC1(C)C)c1ccccc1 489334015 NBVHEXBZTJQLIN-LSDHHAIUSA-N 257.377 3.603 30 20 CHED N#Cc1cc(Cl)ccc1CN(CC1CC1)C1CCC1 483290847 APCBFKQGXBRVEJ-UHFFFAOYSA-N 274.795 3.976 30 20 CHED C=CCCCCCN(C)Cc1nnc(C(F)(F)F)s1 659946730 IQSUXMCQPXEFGF-UHFFFAOYSA-N 293.358 3.735 30 20 CHED CCC[C@H](NCc1cc(C#N)n(C)c1)C1CCCCC1 480385672 QRRIVWRVBIQGBL-KRWDZBQOSA-N 273.424 3.735 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H](C)OC2(CCC2)C1)c1ccccc1 571048885 MXNPEOPEVDJXIP-HOTGVXAUSA-N 299.414 3.516 30 20 CHED N#Cc1ccc(OCCCOCCc2ccccc2)c(F)c1 486701986 VDBLJQWTPPACRA-UHFFFAOYSA-N 299.345 3.726 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)NCC1(CC#N)CC1 576773441 JRLXCNPIJLZBIH-UHFFFAOYSA-N 299.418 3.611 30 20 CHED CC(=NNc1cccc(Cl)c1)c1cc(N)ccc1F 814693446 PZDLJCYFKJSYRM-UHFFFAOYSA-N 277.730 3.897 30 20 CHED C=CCN(C(=O)Nc1ccc2scnc2c1)C(C)C 726077227 QYKRGYRRMUUAOB-UHFFFAOYSA-N 275.377 3.725 30 20 CHED C[C@@H]1C[C@@H](C(=O)NCCc2cccc(C#N)c2)CC(C)(C)C1 579862223 OOIZJBOTYUXHTP-RHSMWYFYSA-N 298.430 3.679 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(-c2cccnc2)ccc1C 491143937 HAJIJUOUXAFDPY-MRXNPFEDSA-N 293.370 3.590 30 20 CHED C#CCCCNCc1ccc(N(C)Cc2cccs2)cc1 823949466 IEWNUWGYZMQCGU-UHFFFAOYSA-N 298.455 3.888 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(C)c(-c2ncco2)c1 491737931 MDEAMZVYWRSJRX-ZDUSSCGKSA-N 297.358 3.573 30 20 CHED C[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)C1CC1 726479413 YZTFSLLFQBZCOJ-SECBINFHSA-N 293.823 3.544 30 20 CHED COc1ccc(O)c(/C=N/C2CC(c3ccccc3)C2)c1 728226780 YXALOPOVKMLROQ-XDHOZWIPSA-N 281.355 3.766 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cc(Cl)ccc1C 493898546 XEQRMGXTXZNYEC-UHFFFAOYSA-N 277.755 3.582 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)c1ccc[nH]1 725798433 VMDYQRBOWUUVFV-UHFFFAOYSA-N 271.323 3.867 30 20 CHED Cc1ccccc1OCc1noc(CCCCCC#N)n1 589136702 BEUNLSXOFBPCJT-UHFFFAOYSA-N 285.347 3.584 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@@]1(C)CC1(Cl)Cl 827866035 DADOZVXXTDYGLY-PWSUYJOCSA-N 278.223 3.821 30 20 CHED C=CCCNC(=O)N(C)[C@H](C)c1nc2ccccc2s1 661570753 KHTAXIZNHJCDKC-LLVKDONJSA-N 289.404 3.575 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@H]1c1ccccc1 580807526 YJSVKYUWYQIYGC-INIZCTEOSA-N 296.418 3.758 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CC[C@H](C)[C@@H]1C 584563154 LBHWYXPUQDTTLH-KBPBESRZSA-N 288.439 3.747 30 20 CHED CC(CCCCC#N)=NNc1cc(F)ccc1F 901319625 BLJKNPNBNGNYOY-UHFFFAOYSA-N 251.280 3.837 30 20 CHED CCc1ccc(C=NNc2cccc([N+](=O)[O-])c2)s1 731149336 VKMJHDBNFKVUGQ-UHFFFAOYSA-N 275.333 3.665 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1nc2ccccc2s1 735102314 FTVNEODGUBDKAD-WDEREUQCSA-N 289.404 3.621 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(F)c2Cl)CC1 495050176 PPMUMLJIIBLFIY-UHFFFAOYSA-N 282.746 3.909 30 20 CHED C=CCCNC(=O)N1CCC(c2cccc(Cl)c2)CC1 661569024 FBZNIROCMZVZSN-UHFFFAOYSA-N 292.810 3.805 30 20 CHED C=CCCC[C@H](N)c1nc(C2(CC)CCCC2)no1 904702087 VLJMTMLVGFIIPP-LBPRGKRZSA-N 263.385 3.648 30 20 CHED N#CCC[C@@H](N[C@H]1CCC[C@@H]2C[C@H]12)c1ccccc1 903128483 ZKTWNBGUWOZTRA-TWMKSMIVSA-N 254.377 3.810 30 20 CHED C=CC[C@@H](CC)NC(=O)c1nc2ccccc2cc1Cl 583903925 SHHYIOZGAZLEKC-GFCCVEGCSA-N 288.778 3.973 30 20 CHED C=CCOC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730615319 WROCODAHCNAJCY-QWRGUYRKSA-N 271.143 3.826 30 20 CHED CS[C@@H]1CCCC(=NNc2cnc3ccccc3n2)C1 901182541 UEGWGEJFAMPXKY-GFCCVEGCSA-N 286.404 3.703 30 20 CHED N#Cc1sccc1C(=O)N1CC2(CCC2)c2ccccc21 907696544 XPQHRJCSDWELRZ-UHFFFAOYSA-N 294.379 3.702 30 20 CHED C#Cc1cccc(CN[C@@H](c2cccnc2)C2CCC2)c1 834903744 QQAAHCWPIUIZRP-LJQANCHMSA-N 276.383 3.694 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCC[C@@H](C)C1 490227181 MKDOQMOLFOUZAP-HUUCEWRRSA-N 275.392 3.663 30 20 CHED N#Cc1ccc(-c2cc(C3CC3)nn2[C@H]2CCCCO2)cc1 904777032 KVNXVYKNEYPAAR-GOSISDBHSA-N 293.370 3.998 30 20 CHED C[C@]12C[C@H]1CCCC2=NNc1ccc(C(=O)O)c(F)c1 835009160 OVIQSPBLKXKWLX-PSLIRLAXSA-N 276.311 3.502 30 20 CHED CCOC1(C(=O)OCCCCC2(C#N)CCC2)CCCC1 909289943 FYBAMCHRAQDEQD-UHFFFAOYSA-N 293.407 3.743 30 20 CHED C#CCOc1ccccc1OC(=O)c1cc(C)c(C)s1 730509904 MUGFAXRZSIYCJK-UHFFFAOYSA-N 286.352 3.596 30 20 CHED Cc1cc(C#N)ccc1-c1ccc(CN(C)C)s1 904865106 UIZGZDSRXCIRNA-UHFFFAOYSA-N 256.374 3.657 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCc1cccnc1 901986880 ZATJAJDAGQGJBB-ZDUSSCGKSA-N 283.400 3.945 30 20 CHED C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1F 903427133 DZTNZXMNAIFMPH-XIKOKIGWSA-N 295.361 3.894 30 20 CHED CCCCCCCC(=O)N1CCC(OC(C)C)CC1 730509249 SPWJIJFJRDKHON-UHFFFAOYSA-N 269.429 3.763 30 20 CHED C=C(C)COC(=O)c1cccc(OC2CCCC2)c1 731262042 MXHJOVLUBTUSRI-UHFFFAOYSA-N 260.333 3.741 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@@H]1CCCS1 839435091 IAMUEFPDTBZWTF-HNNXBMFYSA-N 282.368 3.546 30 20 CHED CCc1nocc1/C=C\C(=O)c1ccc(N(C)CC)cc1 834430512 QADXHQLHMXYVAD-FLIBITNWSA-N 284.359 3.589 30 20 CHED CCCCCCCC(=O)O[C@@H](C)c1csnn1 836093999 BUGPRTJMOVNLAS-JTQLQIEISA-N 256.371 3.503 30 20 CHED COc1cccc(C)c1C=NN[C@H]1CCc2c(F)cccc21 835021231 MPXFRMBJYPRRPW-KRWDZBQOSA-N 298.361 3.754 30 20 CHED COC(=O)c1ccc(C=NNc2cccc(Cl)c2)cc1 916269260 BABRDYSEEZOYLH-UHFFFAOYSA-N 288.734 3.573 30 20 CHED CC(C)Oc1cccc(CN2CCC[C@H](CC#N)C2)c1 595610723 ANIVKNFXCRUFOD-OAHLLOKOSA-N 272.392 3.599 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(C)c2ccccc12 839430415 MZSJISNZHRAKAI-CVEARBPZSA-N 282.339 3.645 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccsc1 670174064 LTOMNTBQHQMHRK-WCQYABFASA-N 264.394 3.559 30 20 CHED C=CCCCC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 749030159 VPCARXFSWIZSNC-LLVKDONJSA-N 263.293 3.555 30 20 CHED C[C@H](C(=O)OCC1(CC#N)CC1)c1cccc(Cl)c1 744277581 UMLOCUFCOONOQJ-NSHDSACASA-N 277.751 3.681 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)c(C)c1 849242266 BYVNLOLIULKQKP-VURMDHGXSA-N 280.371 3.806 30 20 CHED C=CCCn1cc(CN2CCCC[C@@H]2c2ccccc2)nn1 846855591 HBEPTOLPILOTKG-GOSISDBHSA-N 296.418 3.581 30 20 CHED CC[C@H](Cc1ccc(C)cc1)NCc1ccc(C#N)cc1 742382972 PXQDLHXWFHXNOX-LJQANCHMSA-N 278.399 3.978 30 20 CHED C=CCCSCCN[C@@H](C)[C@H](OC)c1ccccc1 595057261 BWYHIPHQCJIKEH-HOCLYGCPSA-N 279.449 3.662 30 20 CHED C=C1CCN(C(=O)CCCCc2ccc(OC)cc2)CC1 594846163 BAZKVCFLSYFNQD-UHFFFAOYSA-N 287.403 3.587 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C1CCCCC1 593983627 FQXNGESFSWTKIP-HUUCEWRRSA-N 298.430 3.822 30 20 CHED C#Cc1cccc(NC(=O)CCCOc2cccc(F)c2)c1 918322761 ROSQPDWYLJBLDP-UHFFFAOYSA-N 297.329 3.605 30 20 CHED C[C@@H](CCc1cccn1C)/N=C\c1cc(Cl)ccc1O 741845871 YLZQYVDGZOUZOB-SJWFJVLYSA-N 290.794 3.824 30 20 CHED CSc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(C)o1 597259159 XYIOWPQIWQMQBD-ZUZCIYMTSA-N 292.404 3.512 30 20 CHED CC(C)CON=Cc1cccc(-c2ccccn2)c1 749625906 KAOFSNNOXHMCLC-UHFFFAOYSA-N 254.333 3.755 30 20 CHED C#CCOC(=O)C[C@H](Cc1ccccc1)c1ccccc1 744040231 JVVRTYMJFQZLNN-SFHVURJKSA-N 278.351 3.579 30 20 CHED CCc1ccc(C=NNc2oc(C(C)C)nc2C#N)cc1 745624129 GISPDPYPOYMSQZ-UHFFFAOYSA-N 282.347 3.678 30 20 CHED CCCC[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)C(C)C 598693234 AFEDQUDGVQBIGI-GDBMZVCRSA-N 264.413 3.601 30 20 CHED Cc1nc(C(C)C)ccc1CSCCO[C@@H](C)C#N 842183468 MWJJOVVCJJEQOJ-LBPRGKRZSA-N 278.421 3.675 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCC(CCC#N)CC1 591971045 RBZHVPSGTIBAIV-ZIAGYGMSSA-N 291.439 3.536 30 20 CHED Fc1cccc(NN=Cc2ccc3ccccc3n2)c1 741461458 IMPQJVDLSLXIQY-UHFFFAOYSA-N 265.291 3.820 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@@H](C)C(F)(F)F 744023592 OTUVZUZHBLHJCJ-SECBINFHSA-N 288.265 3.528 30 20 CHED Cc1ccc(C)c(NN=Cc2nc(C)n3ccccc23)c1 914600595 WWODZILJRULREJ-UHFFFAOYSA-N 278.359 3.706 30 20 CHED C[C@]1(C#N)CCCN(c2nc(C3CCCCC3)ns2)C1 591461513 QKOWXVLUGUYLGN-OAHLLOKOSA-N 290.436 3.716 30 20 CHED CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 597120767 JVJIPWBYVPKLNO-CQSZACIVSA-N 296.336 3.920 30 20 CHED C=C1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1 594846248 KGXYYQWOVQYJIS-UHFFFAOYSA-N 268.360 3.577 30 20 CHED Oc1ccccc1/C=N\CCc1nc2ccccc2s1 743340573 HKUIOYWMMMMPKA-BOPFTXTBSA-N 282.368 3.664 30 20 CHED N#Cc1csc(C=NNc2ccc(OC(F)F)cc2)c1 748075220 GJQRFOLXIBRMHR-UHFFFAOYSA-N 293.298 3.667 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCC1(C)CC1 929696489 MNGDEKSLJHJJCT-UHFFFAOYSA-N 263.406 3.843 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)CCCc1c(F)cccc1F 847678764 ISNMPQSBNNYJCO-AWEZNQCLSA-N 295.329 3.769 30 20 CHED COc1cc(CN[C@@H](C)CC(C)(C)C#N)c2ccccc2n1 925153112 DGJZFXUBPXWDII-ZDUSSCGKSA-N 297.402 3.661 30 20 CHED Cc1c(Br)cncc1C=NN[C@@H](C)C(C)(C)C 853349918 LOIJFDDSRUOOSQ-JTQLQIEISA-N 298.228 3.511 30 20 CHED Fc1ccc(/C=C/C=NNCc2ccccc2)c(F)c1 758083158 HWLMMOWDQAIATJ-FBZYTMSMSA-N 272.298 3.754 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1ccc(C)cc1 753856982 BRRMMJFTQMFRDK-VAWYXSNFSA-N 282.339 3.908 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)c1ccc(F)cc1F 752152791 RDLSQCVFDXMEEA-DWOMLUCJSA-N 291.297 3.859 30 20 CHED Cn1ccc(C=NNc2cc(Cl)ccc2Cl)c1 751895341 KVPFSGRTPDAWCV-UHFFFAOYSA-N 268.147 3.778 30 20 CHED C=C(Cl)CNC(=O)c1cc2cccc(Cl)c2o1 753307787 CKOQVHOSYZKLFY-UHFFFAOYSA-N 270.115 3.569 30 20 CHED C#CC[C@H](Nc1cc(Cl)nc(C)n1)c1ccccc1 756957527 UAVCTKTUYGBYRH-ZDUSSCGKSA-N 271.751 3.615 30 20 CHED C#CCCCOC(=O)c1cc(C2CC2)nc2ccc(F)cc12 751831844 KXCVVAQMGCDFQM-UHFFFAOYSA-N 297.329 3.822 30 20 CHED C=C1CCN(C(=O)Nc2cccc(N3CCCCC3)c2)CC1 929931657 OGZVLSMNKSSPPP-UHFFFAOYSA-N 299.418 3.861 30 20 CHED C[C@@H]1CCCCN1N=C1CCC[C@H]1c1ccccn1 853381930 OYNAVLBVUYRNNP-KGLIPLIRSA-N 257.381 3.580 30 20 CHED Cc1cc(F)ccc1NN=Cc1cccc(F)c1F 750938976 RRPPKIWRLYSADC-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc(CN2CCCC2=O)c1 925749394 WYVHUXQMUIFREB-AWEZNQCLSA-N 299.418 3.549 30 20 CHED C=CC(C)(C)CCOC(=O)[C@H]1CC12CCSCC2 851300226 NMDMQQSCKRKXAU-GFCCVEGCSA-N 268.422 3.665 30 20 CHED CCC[C@@H](C)c1noc(CC2(C#N)CCCCC2)n1 854026471 DDYULLGYBYXFHQ-GFCCVEGCSA-N 261.369 3.990 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3coc(C(C)C)n3)cnc12 752891777 UTLAWGIODTWNJN-VOTSOKGWSA-N 295.342 3.650 30 20 CHED Cc1cc(F)ccc1NN=Cc1c(F)cccc1F 750938730 NDXCCLTUPOQCED-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C#C[C@H](CC)NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 754366191 GCOBBPNMIDFIJR-RHSMWYFYSA-N 271.404 3.832 30 20 CHED C=CCC1(NC(=O)[C@@H](C)CCCCCC)CCOCC1 855686137 VPOQESDNZQTIDX-HNNXBMFYSA-N 281.440 3.834 30 20 CHED C#CCCN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 760821595 VKVRFYVBLGGHSQ-LLVKDONJSA-N 255.283 3.722 30 20 CHED C=CCCc1csc(-c2ccc(N(C)C)cc2)n1 761185366 ABWQRIBYTBSPDZ-UHFFFAOYSA-N 258.390 3.995 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1ncccc1[N+](=O)[O-] 766710004 DZYJASSRHJNYMI-NSHDSACASA-N 296.330 3.622 30 20 CHED CCCCCCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 862357638 AXSLMZFCXDCLIO-UHFFFAOYSA-N 298.770 3.948 30 20 CHED Cc1nc(C(=O)OCCCCC(C)(C)C#N)c2ccccn12 768719504 KNXZOGYQBKZRBL-UHFFFAOYSA-N 299.374 3.520 30 20 CHED CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1occc1C 767742991 MVGUCAWQOBSHJU-UHFFFAOYSA-N 292.722 3.776 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc(C)c(F)c1 761884026 CJUVHNLQXYCZOY-UHFFFAOYSA-N 276.286 3.728 30 20 CHED COc1cc(OC(=O)c2cc3ccccc3o2)ccc1C#N 767159131 MCZIPTAYXGDRNS-UHFFFAOYSA-N 293.278 3.532 30 20 CHED CCC(=NNc1ccnc(Br)c1)C(C)C 769809311 APWYAJUWIYMNHZ-UHFFFAOYSA-N 270.174 3.678 30 20 CHED C=CC[C@H](NC(=O)C[C@@H]1CCC[C@@H]1C)c1ccncc1 769376896 PJEDLCURABEHJB-BPUTZDHNSA-N 272.392 3.641 30 20 CHED CCOCC(C)=NNc1c(Cl)cccc1Cl 763188742 VPGHOPWAQDHLMS-UHFFFAOYSA-N 261.152 3.818 30 20 CHED C=CCOc1ccc(COC(=O)c2ncc(C)cc2C)cc1 763642233 RJGWSRLABVXROF-UHFFFAOYSA-N 297.354 3.620 30 20 CHED C[C@@H]1CC[C@H](Nc2ccc(F)cc2OCC#N)C[C@H]1C 768519729 WDVAWOMIAGNNFC-BZPMIXESSA-N 276.355 3.965 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)Nc1cc(C)cc(C)c1 775408156 HXJBHHMXFDFJQR-UHFFFAOYSA-N 298.308 3.723 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 877520790 HYNZVMICQCHECC-KBXCAEBGSA-N 277.371 3.536 30 20 CHED C=C(C)CCN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 775588227 AOLXOAUQHIBXNF-OAHLLOKOSA-N 296.455 3.532 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 771018948 WNCHTCWJRSZDTO-NUEKZKHPSA-N 269.344 3.684 30 20 CHED C=CC[C@H](C(=O)OCC[C@H]1CCCC1=O)c1ccccc1 778416985 MPBKUDAXURZKDO-CVEARBPZSA-N 286.371 3.649 30 20 CHED CCOc1cccc([C@H](C)Nc2cccc(CC#N)n2)c1 1116636531 OWSVRRSEPBGTRM-ZDUSSCGKSA-N 281.359 3.719 30 20 CHED Cn1nccc1/C=C1\C(=O)c2ccccc2SC1(C)C 871671099 ICEMHDJSAVYHMU-JLHYYAGUSA-N 284.384 3.571 30 20 CHED C#CCCCCN[C@H]1CCC[C@H]1Cc1ccccc1 773040124 JVAPEQYLTJNCFS-ROUUACIJSA-N 255.405 3.791 30 20 CHED C#C[C@H](C)NC(=O)c1ccc(Oc2ccccc2Cl)cc1 775387654 FZIHFCIKOKERIP-LBPRGKRZSA-N 299.757 3.884 30 20 CHED C=C(CC)COC(=O)c1ccc(OC)cc1Br 773500392 GRMVTSNFJYPVPL-UHFFFAOYSA-N 299.164 3.581 30 20 CHED COc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)c(C)c1 776390221 UDVNSXVPFVENIZ-INIZCTEOSA-N 287.359 3.633 30 20 CHED COc1ccc(/C=C2/Oc3cc(F)ccc3C2=O)cc1F 773170106 CRDKYIZWSCSEBF-VIZOYTHASA-N 288.249 3.590 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C(C)=C(/C)CC 779958697 DVNRWTPPCRZSKS-QXMHVHEDSA-N 275.323 3.523 30 20 CHED O=C(/C=C\c1coc(-c2ccccc2)n1)c1cscn1 776193920 WUGGJYRQDIDIKI-SREVYHEPSA-N 282.324 3.694 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccsc2)c(F)c1 772805029 DSVLHAJLRBKLLN-ARJAWSKDSA-N 257.289 3.655 30 20 CHED N#Cc1ccc(NC(=O)C=C2CCSCC2)c(Cl)c1 772335261 HAODPNRAWRFPKN-UHFFFAOYSA-N 292.791 3.604 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)c(OC)c(C)c2)c1 773208079 HLZGFPVDPZVLQE-UHFFFAOYSA-N 279.339 3.546 30 20 CHED CC1(N2CCCC2)CCC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)CC1 884445303 JVYYQQDYVJMCKE-XLHDVRGUSA-N 289.467 3.549 30 20 CHED CC(C)c1nccnc1NN=Cc1sccc1Cl 782285610 QVZRJSGJGWXADG-UHFFFAOYSA-N 280.784 3.761 30 20 CHED CC(C)C(C=NNCc1ccc(C#N)cc1)C(C)C 789036385 AGHOUNWZEXTHSU-UHFFFAOYSA-N 257.381 3.562 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NN[C@@H]1CCOC(C)(C)C1 780251515 VARMUACXHRXADB-CHWSQXEVSA-N 266.429 3.736 30 20 CHED CC(=O)c1ccccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 784100423 AYNFQOWCPYHDIV-CYBMUJFWSA-N 293.322 3.679 30 20 CHED C#CCC1(C(=O)N2CC[C@@](C)(CC)C2)CCCCC1 788233793 YITAABDAPGGHPF-MRXNPFEDSA-N 261.409 3.609 30 20 CHED FC(F)Sc1ccc(C=NO[C@@H]2CCCCO2)cc1 781597413 SUVOFWCKZBLMNG-GFCCVEGCSA-N 287.331 3.878 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(N(C)C)c(C)c1 785676474 UUOOKQNMLDFRJE-HNNXBMFYSA-N 287.407 3.633 30 20 CHED CC(=NN[C@H](CO)c1ccccc1)c1cc(C)c(C)cc1C 788458956 ALBHTYRMPLTDRT-LJQANCHMSA-N 296.414 3.659 30 20 CHED C=CCC[C@H](C)OC(=O)c1cc(C(F)(F)F)ccn1 884647765 MESZFMZRIPLYOT-VIFPVBQESA-N 273.254 3.612 30 20 CHED CCOc1c(Cl)cccc1C=NNc1ccccn1 782141960 DPWVQTDTISEOMU-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C#Cc1ccc([C@@H](OC(=O)[C@@H](F)CC)C(F)(F)F)cc1 1121220348 VFOBUNAPMCFGPA-NWDGAFQWSA-N 288.240 3.563 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc2cc[nH]c2cn1 1123425424 JSUAOFUYMZAUPM-ZDUSSCGKSA-N 284.363 3.525 30 20 CHED CCSCC[C@H](C)Nc1snc(Cl)c1C#N 269392182 XPSGZAILGKNJOG-ZETCQYMHSA-N 275.830 3.612 30 20 CHED C=CCCO[C@H](C)C(=O)OC/C=C/c1ccc(Cl)cc1 787667965 JMQLFVZTVZXFJZ-URWSZGRFSA-N 294.778 3.878 30 20 CHED C#CCC1(C(=O)O[C@H]2COc3ccccc32)CCCCC1 788454620 UKNHNFLKJQNUSZ-INIZCTEOSA-N 284.355 3.637 30 20 CHED CCOCCC=NNc1cccc(C(F)(F)F)c1 788409419 XBPVBGOJPSIYMB-UHFFFAOYSA-N 260.259 3.530 30 20 CHED CCCC(=NNc1ccc(Cl)nn1)c1ccsc1 785450421 FKAGKGRBIAJXKD-UHFFFAOYSA-N 280.784 3.808 30 20 CHED C=C1CCC(C(=O)NC[C@@H]2C[C@H]2c2cccc(OC)c2)CC1 891681478 MTMOTHUQFRAHRW-WMZOPIPTSA-N 299.414 3.661 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 890429193 OXUOKBNRDXPJPB-UHFFFAOYSA-N 280.299 3.583 30 20 CHED COc1ncc(C(=O)/C=C\c2ccsc2)cc1Cl 789156597 CLMGZXKUCPNPNO-IHWYPQMZSA-N 279.748 3.701 30 20 CHED N#Cc1ccc(OC[C@@H]2CC2(Cl)Cl)cc1Cl 783985443 ASDZXYYLHMMZKF-QMMMGPOBSA-N 276.550 3.784 30 20 CHED CC(=NOC1CCOCC1)c1cc2ccccc2s1 780241384 PEAFMZDAFLKCMB-UHFFFAOYSA-N 275.373 3.821 30 20 CHED C=CCCCN[C@@H]1CCN(Cc2ccccc2)CC1(C)C 390894354 JCWSKPKJTRNCMF-GOSISDBHSA-N 286.463 3.843 30 20 CHED Clc1cccc(NN=CCCc2ccccc2)n1 793173794 CNJZRLXXRMUGCF-UHFFFAOYSA-N 259.740 3.766 30 20 CHED CON(Cc1ccc(Cl)cc1C#N)CC(C)(C)C 796478780 BRYBCMORLQUVAW-UHFFFAOYSA-N 266.772 3.621 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1F 891457096 WWNHVFGBTKYVLC-SECBINFHSA-N 288.244 3.614 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(Cl)ncc2Cl)C1 703690193 LJHVNAUNJYTVFP-JTQLQIEISA-N 299.201 3.817 30 20 CHED C=CCOc1ccc(C/N=C/c2ccccc2O)cc1 794679933 JZXOXLQFJMBIRJ-QGOAFFKASA-N 267.328 3.576 30 20 CHED C=C(C)COC(=O)c1cc2c(F)cccc2s1 796357029 IIGOOUFPMOAWJJ-UHFFFAOYSA-N 250.294 3.773 30 20 CHED CCCCCCCCCN1CCOCC2(CCOCC2)C1 792284335 XCMAFOCDOVGQOT-UHFFFAOYSA-N 297.483 3.866 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](C)c1c(F)cccc1Cl 791025757 GBDXZXLQHYFVMU-MNOVXSKESA-N 296.773 3.641 30 20 CHED Cc1ccc(C(=O)N2CC(C)(C)c3ccccc32)cc1C#N 799348892 WDRSYYQZECECGK-UHFFFAOYSA-N 290.366 3.805 30 20 CHED COc1c(C)cc(C(C)=NNCC(F)(F)F)cc1Cl 794930989 OHRPNSDYLCKROD-UHFFFAOYSA-N 294.704 3.533 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@H](C#N)C2CCCCC2)CC1 592614506 KFMDCYIYOBHFRN-JKSUJKDBSA-N 274.408 3.712 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)Cc1ccccc1Cl 796473344 GWKGWBRSLLXFQB-UHFFFAOYSA-N 294.778 3.597 30 20 CHED C[C@H](NN=Cc1cnc(-c2ccccc2)nc1)C(C)(C)C 793114018 IRXYCKJZKWQNSP-ZDUSSCGKSA-N 282.391 3.502 30 20 CHED Cc1cc(Cl)ccc1COC(=O)c1cc(C#N)oc1C 797889256 HCIPSGQIDOTXOI-UHFFFAOYSA-N 289.718 3.779 30 20 CHED CCCOc1cccc(NC(=O)c2ccccc2CC#N)c1 1141571817 KFYOZMLSDOWDBE-UHFFFAOYSA-N 294.354 3.794 30 20 CHED Cc1cc(N(C)Cc2ccc(F)c(Cl)c2)c(C#N)cn1 1163048250 UVAHAHIGCIGRIN-UHFFFAOYSA-N 289.741 3.691 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 1322087535 BAUTVNUHKLCSCD-NTMALXAHSA-N 293.322 3.980 30 20 CHED C=C(C)[C@@H](Cc1nnc(-c2cccc(Cl)c2)o1)OCC 1329262061 LGDUBQQPZHDRCD-CYBMUJFWSA-N 292.766 3.914 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccncc1 1328133629 FFYWHQWASBJXKA-ULQDDVLXSA-N 299.418 3.673 30 20 CHED N#Cc1ccccc1/C=C\c1nnc(-c2ccccc2)o1 1322824552 PGWNZGZDYJNTOF-KHPPLWFESA-N 273.295 3.779 30 20 CHED Cc1nc(NCc2ccc3occc3c2)ccc1C#N 1652024014 RVNLJRHWUQSNQY-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C)c1cccs1 1336220068 ZZAMZYCKYHNJLA-STQMWFEESA-N 263.406 3.809 30 20 CHED CCCCCCCCNC(=O)N1CC[C@H]2OCCC[C@H]2C1 1191051332 IFTCYRPFOKURPY-JKSUJKDBSA-N 296.455 3.557 30 20 CHED CCCC[C@@H](CC)CC(=O)[C@@H](C#N)c1ncc(Cl)n1C 1347338582 SCFUKTYEMGPTQX-VXGBXAGGSA-N 295.814 3.856 30 20 CHED Cc1ccc(NN=Cc2sccc2C)cc1C(=O)O 1607808239 JTNLMSFWRANPBF-UHFFFAOYSA-N 274.345 3.509 30 20 CHED C=C(C)CCC(=O)Nc1scc(C2CC2)c1C(=O)O 1602761219 XBVOWYOFHZPQBV-UHFFFAOYSA-N 279.361 3.619 30 20 CHED C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1ccsc1 1539903201 IXTOKVBVFPHGPV-DOMZBBRYSA-N 284.384 3.623 30 20 CHED C[C@@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC12CCC2 1546182460 ZBQJPEVCHHHDSY-NVXWUHKLSA-N 296.414 3.723 30 20 CHED CCCC[C@@H](CC)COC(=O)CSCC1(C#N)CC1 1643657181 WUYLYEWSAMPETA-CYBMUJFWSA-N 283.437 3.783 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1CCc1ccc(C#N)cc1 1644756155 LQYGCCDQCGXZEW-UZLBHIALSA-N 290.410 3.979 30 20 CHED CC#CCCSc1cc(Cl)ccc1C(=O)O 1588930970 GZCPEFJMVSQMMC-UHFFFAOYSA-N 254.738 3.544 30 20 CHED C[C@@H]1[C@@H](CNCc2ccc(C#N)c(F)c2)CCC[C@H]1C 1659009535 PKMWEGULLAQBNK-DVOMOZLQSA-N 274.383 3.859 30 20 CHED CC[C@@H]1CCC[C@H]1CNc1c(C#N)cccc1C#N 1655488235 WJOKMAICOWHKTC-DOMZBBRYSA-N 253.349 3.668 30 20 CHED Cc1cc(F)ccc1COc1ccc(C#N)cc1F 230055626 PPICPRLDEFYSHX-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=C(C)c1cccc(NC(=O)c2[nH]c(C)c(C(=O)O)c2C)c1 1588605943 RQSQONWTGDLSJJ-UHFFFAOYSA-N 298.342 3.615 30 20 CHED Cc1cc(N(C)C[C@@H](C)C2CCCCC2)c(C#N)cn1 1651318521 ZSSMSGUTKBNHFT-CYBMUJFWSA-N 271.408 3.914 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1Nc1ccc(Cl)c(C#N)n1 1655644252 MTEATHKCRICJAH-GXSJLCMTSA-N 263.772 3.843 30 20 CHED CC(C)(C#N)CCOc1cccc2sc(C(=O)O)cc12 1589554751 MJNKZYCJQNPLPQ-UHFFFAOYSA-N 289.356 3.918 30 20 CHED Cc1scc(COC(=O)c2ccsc2C#N)c1C 1588253721 YBUVKYYTUWPJLF-UHFFFAOYSA-N 277.370 3.655 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)CC1 1674213321 QDDICBPODXBQEY-RISCZKNCSA-N 289.354 3.788 30 20 CHED C=CC[C@H](NCc1ccc(-c2cccs2)cc1)C(=O)O 1776152246 HATJWHOCIGKRSY-AWEZNQCLSA-N 287.384 3.534 30 20 CHED C=C(Cn1c(C2CC2)nnc1N(C)CCC)c1ccccc1 1690323002 XIZCQNZLJXKRSY-UHFFFAOYSA-N 296.418 3.715 30 20 CHED N#Cc1ccc(CSc2ncc3ccccn23)c(F)c1 11394835 ODPOQPOMGYTAJU-UHFFFAOYSA-N 283.331 3.637 30 20 CHED N#CCN(Cc1ccc(Cl)cc1F)C1CCCC1 162178049 UZYDAXXDWZTSOI-UHFFFAOYSA-N 266.747 3.747 30 20 CHED CC#CCSCc1coc(-c2cccc(F)c2)n1 166622467 YPTLQZGAKAYZON-UHFFFAOYSA-N 261.321 3.737 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)c1ccc(C#N)cc1 151669343 UCWVNBRXUXHNAL-CYBMUJFWSA-N 269.344 3.931 30 20 CHED C#CCCCCNC(=O)c1sc(-c2ccccc2)nc1C 156099872 DTURXBSRQZUVKN-UHFFFAOYSA-N 298.411 3.652 30 20 CHED COc1ccc(C)cc1NCc1ccc(O[C@@H](C)C#N)cc1 157786384 WBHZHYQQIVWDAU-AWEZNQCLSA-N 296.370 3.907 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1oc2ccccc2c1C 156582014 QKLJDLHWZSUXIX-LBPRGKRZSA-N 272.348 3.678 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)cc2)c(F)c1 20051205 UVBXVSWFTPWBAT-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CSc1ccc(CNc2ccc(OCC#N)cc2)cc1 20126591 ZXZFXBMPSQJLSB-UHFFFAOYSA-N 284.384 3.923 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 37299709 PQBBPEOOWZJYPG-LLVKDONJSA-N 267.288 3.640 30 20 CHED C#Cc1cccc(NCc2cc(Cl)ccc2OC)c1 37873941 SENHVIUOSGBCPQ-UHFFFAOYSA-N 271.747 3.942 30 20 CHED C=C(CNCc1cnc(CC)s1)c1ccccc1 267596311 CKHHNRIRMFUXTN-UHFFFAOYSA-N 258.390 3.509 30 20 CHED C[C@](O)(CNc1ccc(Cl)cc1C#N)c1ccccc1 301257074 FVLDBKVKGPHBLU-INIZCTEOSA-N 286.762 3.531 30 20 CHED C=C(Cl)CNCc1cccc(Cl)c1OCC 309485158 VFRHPYRLIWCDLD-UHFFFAOYSA-N 260.164 3.581 30 20 CHED COC1(CNc2ccc(Cl)c(C#N)c2)CCCC1 319369661 XSGUUYOSBFRMCQ-UHFFFAOYSA-N 264.756 3.583 30 20 CHED Cc1cccnc1SCc1ccc(CC#N)cc1 557820741 VDHVODVQKHRBTG-UHFFFAOYSA-N 254.358 3.748 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC)c(OC(F)F)c1 341452323 FLNAQADUFFJHMI-LBPRGKRZSA-N 285.334 3.741 30 20 CHED C(=NOCc1ccccc1)c1cc2ccccc2o1 839423440 PRQQOAZRVLFVKA-UHFFFAOYSA-N 251.285 3.984 30 20 CHED Cn1c(SCc2ccc(C#N)cc2F)nc2ccccc21 29806847 LRNACDISOXJMTE-UHFFFAOYSA-N 297.358 3.876 30 20 CHED N#CCCN(Cc1c(F)cccc1F)C1CCCC1 104696027 IEBBRIFAASGIIS-UHFFFAOYSA-N 264.319 3.623 30 20 CHED C[C@H](CC(=O)Nc1cc(C#N)ccc1O)c1ccccc1F 176404501 WISBIOUJXSQBAO-LLVKDONJSA-N 298.317 3.535 30 20 CHED C[C@@H](c1ccccc1)[S@@](=O)CCCC(C)(C)C#N 178097201 MHOZPUBCXFAQAA-UGSOOPFHSA-N 263.406 3.826 30 20 CHED CN(C(=O)c1cccc(C(F)F)c1)c1cccc(C#N)c1 171552959 MTPUCSDBFYTVAD-UHFFFAOYSA-N 286.281 3.772 30 20 CHED C=CC1CCN(CC(=O)Nc2ccccc2C(C)C)CC1 111259821 QAKAVSMCNCKCRS-UHFFFAOYSA-N 286.419 3.647 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1F 308134004 ZADDUNIMPVBHQT-INIZCTEOSA-N 294.329 3.756 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 111726414 MRZIKOSXJKUYCB-UHFFFAOYSA-N 288.391 3.904 30 20 CHED CC(C)[C@H](C)NC(=O)CS[C@@H](C)c1ccc(C#N)cc1 118445684 NGZVFNKQUHMBID-STQMWFEESA-N 290.432 3.513 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)Cc1ccccc1Cl 1344076542 UMUQTCKNLQANFM-WQVCFCJDSA-N 279.811 3.594 30 20 CHED Cc1cc(Sc2cccc(C#N)c2)ccc1[N+](=O)[O-] 301949604 FSIPKYIMEMIDGQ-UHFFFAOYSA-N 270.313 3.926 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1cccc(C)c1C 115858618 XXTFIYTXXJMWDK-OAHLLOKOSA-N 274.408 3.972 30 20 CHED C[C@@H](CSc1ccccc1)C(=O)Oc1ccc(C#N)cc1 110156577 PFEOWANIAAQIRO-ZDUSSCGKSA-N 297.379 3.892 30 20 CHED N#CCCCCNC(=O)c1cc(C2CC2)nc2ccccc12 171594423 IVPKYDVUOLYCKJ-UHFFFAOYSA-N 293.370 3.536 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NC(C1CC1)C1CC1 62477400 PKEDVDRKGLDLGT-UHFFFAOYSA-N 298.430 3.615 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)NC[C@H](C)C#N 172220210 NTGGCANRIBYHOU-HIFRSBDPSA-N 264.413 3.505 30 20 CHED C=CCCCC(=O)Nc1ccc(Oc2ncccn2)cc1C 177769636 MBYVBLGCQDXFBE-UHFFFAOYSA-N 297.358 3.872 30 20 CHED C=CC[C@H](C)NC(=O)N(C)Cc1cc2ccccc2o1 177521237 QUQAZRNOPHJFIE-LBPRGKRZSA-N 272.348 3.539 30 20 CHED CCn1ccc(CN(C)c2ccc3cc(C#N)ccc3n2)c1 302724855 OFLJXGKWTIJODG-UHFFFAOYSA-N 290.370 3.564 30 20 CHED C[C@H](CCC(=O)OCC#Cc1ccccn1)c1ccccc1 1345020594 QBNTXYIJBUEUDA-MRXNPFEDSA-N 293.366 3.560 30 20 CHED CC(C)N(C(=O)c1cccc(CC#N)c1)C1CCCCC1 171467316 OHBSUEUFZLGVPO-UHFFFAOYSA-N 284.403 3.936 30 20 CHED C=CCCCOC(=O)[C@@H]1SCCc2ccccc21 173782064 ZBGLVUCNGQLMSP-CQSZACIVSA-N 262.374 3.526 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccc(F)cc1F 63277366 AUBLWQLHXQWHIL-QPJJXVBHSA-N 290.313 3.882 30 20 CHED N#Cc1cccc(CNc2ccc(NC(=O)C3CC3)cc2)c1 120494659 FIHXWQPUPSGIOC-UHFFFAOYSA-N 291.354 3.519 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3ccccc32)c(F)c1 35181252 IAVVLDITUBQTIN-GOSISDBHSA-N 280.346 3.865 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(F)cc2)cnn1C(C)C 188884754 WGAAROVRSCTEOZ-RMKNXTFCSA-N 272.323 3.808 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)c1ncccc1C#N 301359473 ZWVJEEFHBQXEQA-GFCCVEGCSA-N 285.778 3.674 30 20 CHED C=CCN(Cc1cccs1)C[C@@H](O)c1ccccc1F 78338823 AXENDGQMISSVBL-MRXNPFEDSA-N 291.391 3.609 30 20 CHED Cc1ccc(CNC(=O)c2cccc(SCC#N)c2)cc1 79383099 OARHPIPCRPGHQG-UHFFFAOYSA-N 296.395 3.541 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)NCCCSCC#N 181662436 FDMHXVZTDPCSHC-INIZCTEOSA-N 294.439 3.629 30 20 CHED CCCCC[C@H](C)CC(=O)N[C@H](C#N)C(C)(C)C 122471767 LKDWMTFNEIXOPQ-QWHCGFSZSA-N 252.402 3.647 30 20 CHED Cc1nc2ccccc2nc1S[C@@H](C)CCC#N 188293043 UESCAKMOSHXQND-JTQLQIEISA-N 257.362 3.723 30 20 CHED COc1ccc(CNc2ccc3ncccc3c2)cc1C#N 124999468 KZOGLAHSRSLPNL-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCOC1CC(CSCc2cc(C#N)ccc2F)C1 507131411 AQENMQYACADBML-UHFFFAOYSA-N 279.380 3.746 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(C#N)cc1 72901750 XYMRGCQFHKDDHO-CYBMUJFWSA-N 262.422 3.522 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(F)c(F)c1 500783663 LEGDLAWUOJWYGU-UHFFFAOYSA-N 258.271 3.757 30 20 CHED Cc1cscc1NC(=O)N(CCC#N)CCC(C)C 124573473 FZPCGBDJOUJEOK-UHFFFAOYSA-N 279.409 3.850 30 20 CHED Cc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)ccc1C(F)(F)F 410525047 JGKYREDUGRDAIZ-RNCFNFMXSA-N 282.265 3.502 30 20 CHED C#CCN(Cc1csc([C@H](C)OC)n1)C1CCCCC1 490778727 JWSWCUMPVAKFFO-ZDUSSCGKSA-N 292.448 3.618 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(F)ccc1F 182763492 XMFTXVYOEADIHY-SNVBAGLBSA-N 268.307 3.831 30 20 CHED Cc1cc(F)ccc1CCNc1nc(Cl)c(C#N)s1 235747041 SJNXKOTZNYBZMZ-UHFFFAOYSA-N 295.770 3.770 30 20 CHED C=CCCCC(=O)Nc1cc(Br)cc(C)c1N 186531339 HQWNQCOCWFLUCU-UHFFFAOYSA-N 297.196 3.635 30 20 CHED CSCC[C@@H](C)N(C)Cc1ccc(Cl)cc1C#N 187262822 MIAOWAWPYISOKR-LLVKDONJSA-N 282.840 3.785 30 20 CHED C#CCCCNC(=O)N(CC)C[C@@H](CC)c1ccccc1 184337001 QLOUSQSVYGGJER-MRXNPFEDSA-N 286.419 3.625 30 20 CHED Cc1cc(C)c(C#N)c(NC2CCC(OC(C)C)CC2)n1 130071057 SDCXUQQKCYSNNM-UHFFFAOYSA-N 287.407 3.718 30 20 CHED C[C@@H]1O[C@H](C)C[C@@H]1CNc1cc(C#N)ccc1C(F)(F)F 413526332 BLUBRNXSHNLUNH-JFGNBEQYSA-N 298.308 3.802 30 20 CHED C=CCN(C)C(=O)c1sc2cc(F)ccc2c1C 506150280 URYYIOLCVYYBNM-UHFFFAOYSA-N 263.337 3.607 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Oc2ccccc2)ccc1O 183060553 RGZYYUXKDIHTOY-UHFFFAOYSA-N 297.354 3.833 30 20 CHED O=C1/C(=C/c2ccsc2)CCc2c(O)cccc21 78695179 CSNAAUDXTLREHW-DHZHZOJOSA-N 256.326 3.666 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(F)cc(C(F)(F)F)c1 410129617 GAQJPURQXCSYCO-GFCCVEGCSA-N 289.272 3.929 30 20 CHED COc1cccc(F)c1NCc1ccc(Cl)cc1C#N 184529691 JZWCVTZMFAHXTD-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCC1(C(=O)Nc2cccc(COC)c2)CCC1 188234543 OGDZFICEWAHGBS-UHFFFAOYSA-N 259.349 3.518 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)[C@H]1CCCOC1 414310845 XFDOVKVWJIRLQT-BPQIPLTHSA-N 273.420 3.579 30 20 CHED C[C@@H](Cc1cccc(F)c1)N[C@H](C)c1ccc(C#N)cc1 222691143 MVECKFQAGZVVAV-UONOGXRCSA-N 282.362 3.979 30 20 CHED CC(C)(C(=O)Nc1cnc(C#N)c(Cl)c1)C1CCCC1 411030143 JOQIIWDABBWZLV-UHFFFAOYSA-N 291.782 3.762 30 20 CHED C=CC1CCN(Cc2cccc(OC(C)(C)C)n2)CC1 508889255 KISXADZQTLDGCH-UHFFFAOYSA-N 274.408 3.657 30 20 CHED CCN(Cc1ccc(C)c(Cl)c1)C[C@H](C)C#N 193761053 KRHABBAQJVNMAJ-LLVKDONJSA-N 250.773 3.630 30 20 CHED C[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 131265015 KHLYOCPMTRWBTP-GFCCVEGCSA-N 281.315 3.682 30 20 CHED Cc1ccc(C)c(OC(=O)c2ccccc2OCC#N)c1C 194081034 LAZYBQARXYLHSI-UHFFFAOYSA-N 295.338 3.733 30 20 CHED C[C@H](OC(=O)COc1ccc2ccccc2c1)C(C)(C)C#N 131524198 OSUNOUHVCBQPJG-ZDUSSCGKSA-N 297.354 3.700 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1CCOc2ccccc21 135242635 UFPWIMRBALULIB-LBPRGKRZSA-N 282.318 3.676 30 20 CHED CSC1(CNc2ccc(C#N)c(Cl)c2)CC1 227989773 CPUOLAFOZWHIOR-UHFFFAOYSA-N 252.770 3.519 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc2c(c1)CCO2 45133971 NMVULXZWOXNRLP-UHFFFAOYSA-N 299.395 3.511 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCc1cccc(C#N)c1 299306791 CQILHKFCRKGXQP-GOSISDBHSA-N 262.356 3.644 30 20 CHED C#CCCCC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 192169821 BIRZBTNTZHRJEW-UHFFFAOYSA-N 298.308 3.513 30 20 CHED C[C@H]1[C@H](C)CCN1c1cccc(Br)c1C#N 380733302 KOFQBRZJDIDHCV-ZJUUUORDSA-N 279.181 3.555 30 20 CHED CCC(=O)c1cccc(NCc2ccccc2C#N)c1 135714661 YQZNTDDQPWJALY-UHFFFAOYSA-N 264.328 3.763 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccccc1Cl 135157661 BOZQCSBMYINLDC-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC1(/N=C(/O)C[C@H]2CCCC(O)=N2)CCCCC1 329357545 ZXEPDZKVFSIKFR-LLVKDONJSA-N 252.358 3.565 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)c2cccc(F)c2F)CC1 133851023 FEMKKMKQRCGSKN-NSHDSACASA-N 294.345 3.633 30 20 CHED Cc1c(C(=O)Nc2cccnc2)sc2ccc(C#N)cc12 428015446 SCSVKQHICCKSJR-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C#C[C@@H](NCc1ccc(Cl)c2cccnc12)C(C)C 381657291 PFQCDAIIJHGRLV-OAHLLOKOSA-N 272.779 3.636 30 20 CHED CCCC[C@@H](CC)CC(=O)NCCc1cccc(C#N)c1 514619243 HTARIVDCLUNZIL-OAHLLOKOSA-N 286.419 3.823 30 20 CHED Cc1cnccc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 516537822 UXKFEVAKZYSHLN-OALUTQOASA-N 291.398 3.662 30 20 CHED CCCC1CCC(N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 425856416 FGBPTIGHWPKUNF-PWUWZPNHSA-N 291.439 3.679 30 20 CHED N#CC1(C(=O)Oc2cc(F)ccc2Cl)CCCCC1 194298508 CSDQLUBAIQFIJL-UHFFFAOYSA-N 281.714 3.859 30 20 CHED C=CCCc1noc([C@H](CC)OC2CCCC2)n1 420505731 SHGOYQHKXCEEQV-LBPRGKRZSA-N 250.342 3.599 30 20 CHED Cn1ccc(C(=O)Nc2ccc(CC#N)cc2)c1C1CCC1 338598529 PCHSYCSCUVTWDJ-UHFFFAOYSA-N 293.370 3.611 30 20 CHED Cc1c(C(=O)N(C)[C@@H](C)CC#N)sc2ccc(F)cc12 336382765 KXEHBAGJXQKNQV-VIFPVBQESA-N 290.363 3.723 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C)c(C(C)=O)c1 194456130 LBAMPYJAVUISOQ-ZDUSSCGKSA-N 273.376 3.672 30 20 CHED CC(C)(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 424975193 HBIJKAQWQKLQHB-DLBZAZTESA-N 298.430 3.844 30 20 CHED N#CC1(NC(=O)c2sccc2C2CC2)CCCCC1 334737740 CSKLZFFTSZRRQN-UHFFFAOYSA-N 274.389 3.582 30 20 CHED CC1(NC(=O)C[C@@H](CC#N)c2ccccc2)CCCC1 331077323 WZZAWTCDCVFKHP-OAHLLOKOSA-N 270.376 3.523 30 20 CHED C[C@H](CCC1CCCCC1)NCc1ccc(C#N)o1 237442810 TZPPSIRZGSVIEN-CYBMUJFWSA-N 260.381 3.990 30 20 CHED N#Cc1ccc(CNC(=O)CCCC2CCCCC2)s1 421600931 MLJGYIFQQPSCGA-UHFFFAOYSA-N 290.432 3.987 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)NC2(C)CCCC2)c1C 331148387 SZKVRYDJFPMSFG-LLVKDONJSA-N 278.400 3.630 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@@H](c1ccccc1)C1CC1 431312286 IOAWSRWSUNATHS-SJORKVTESA-N 286.419 3.834 30 20 CHED CC[C@H](CC#N)/N=C(/O)c1sc(CC(C)C)nc1C 330894686 ZWVFXLJSMKRVEI-LLVKDONJSA-N 279.409 3.647 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(C#N)cc2)c1 97147119 OIMSAXSQSRQKJD-FLIBITNWSA-N 277.323 3.853 30 20 CHED CCc1ccc([C@@H]2CCN(CCC(C)(C)C#N)C2)cc1 433050055 ZYVJQHXKPHLFOS-QGZVFWFLSA-N 270.420 3.978 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2c1ccn2C 527487270 DJAALPBVZIPJTP-INIZCTEOSA-N 256.349 3.719 30 20 CHED CCc1ccc(CNc2ccc(F)cc2C#N)s1 97635448 LNRMYMGXUYHHFQ-UHFFFAOYSA-N 260.337 3.933 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 529120002 CAJHCJSYYWCQFK-IRXDYDNUSA-N 298.430 3.844 30 20 CHED C[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 340884643 MUPWRUDDWBWLEQ-YOEHRIQHSA-N 298.386 3.910 30 20 CHED C=CCCN(C)Cc1cc(Br)ccc1F 525328487 ARKUMHRVLGRARZ-UHFFFAOYSA-N 272.161 3.596 30 20 CHED CCCOc1cccc(-c2cn([C@H]3CC[C@@H](C#N)C3)nn2)c1 600974114 VTCDOKKERXGPKV-HIFRSBDPSA-N 296.374 3.599 30 20 CHED CCC1(CC)CCC(NC(=O)c2cc(C#N)oc2C)CC1 437192455 XTNBZXOQKYGURM-UHFFFAOYSA-N 288.391 3.939 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(CC#N)cc2)C1 347173319 SLQJREODBICTRY-BEFAXECRSA-N 291.398 3.731 30 20 CHED Cc1cccc(C)c1NCC#Cc1ccc(F)cc1 433427418 KVAYWYUHOJCIME-UHFFFAOYSA-N 253.320 3.906 30 20 CHED COCC1(C#N)CCN([C@H](C)c2ccc(Cl)cc2)CC1 341977644 MLIZYQHGBXECMW-CYBMUJFWSA-N 292.810 3.653 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccccc1O 254005596 IZHPDVLGPQNUBP-UHFFFAOYSA-N 277.327 3.777 30 20 CHED C=CCN(Cc1c(F)cccc1Cl)[C@H](C)COC 621317778 ZEUJINYBWPWHLG-LLVKDONJSA-N 271.763 3.502 30 20 CHED N#Cc1nnc2ccccc2c1Sc1cc(F)ccc1F 524842512 OMEVPIFJNSXRRU-UHFFFAOYSA-N 299.305 3.931 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1nc2ccccc2[nH]1 604506872 ZOYWKNYPEJWBLW-CYBMUJFWSA-N 279.368 3.790 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)c3ccccc3n2)c(C)o1 345036693 PSBJKNSLNXPCHR-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C[C@H](CCC#N)CNc1ccc([C@@H]2CCOC2)cc1 602677122 TYTACTKGOIDCOG-UKRRQHHQSA-N 258.365 3.542 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](CC)Cc1ccccc1 601945389 NFAXFAMGFRWHDJ-INIZCTEOSA-N 259.393 3.680 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(F)c1N 602464039 AYVOEXWCCQKZRH-UHFFFAOYSA-N 277.387 3.560 30 20 CHED C=CCCCC[C@H](C)NC[C@H]1COc2ccccc21 449329405 OCHORPUMQVFQSJ-GJZGRUSLSA-N 259.393 3.887 30 20 CHED CCCn1c(C(=O)N(CCC#N)C(C)C)cc2ccccc21 527292233 SMALMIYMZBOCNI-UHFFFAOYSA-N 297.402 3.816 30 20 CHED CCCc1cc(O)nc(S[C@H](C#N)C2CCCCC2)n1 524533597 BSXLNACDGQFGKJ-CYBMUJFWSA-N 291.420 3.699 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2CC)CC1 600856464 ROVLPEXUZLOBTB-LSDHHAIUSA-N 264.413 3.563 30 20 CHED C=CCOCCCC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 608117438 GJHHHDBXPHJJQQ-KRWDZBQOSA-N 287.403 3.579 30 20 CHED CC[C@H](NCCN1CCCC(C)(C)C1)c1ccc(C#N)cc1 447572581 ONLOFJSZUNXDPB-SFHVURJKSA-N 299.462 3.721 30 20 CHED CC(=N/N=c1\[nH]c(-c2ccccc2)cs1)c1ccco1 254292382 QIDOXNFGGVEZGC-UHFFFAOYSA-N 283.356 3.661 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 602480583 DBLUELHWPVVSJW-NXHRZFHOSA-N 281.403 3.698 30 20 CHED CCc1cc(C#N)ccc1OCc1ncc(C(C)(C)C)o1 442109041 OPNYXYAYZCJYHJ-UHFFFAOYSA-N 284.359 3.985 30 20 CHED CCN(C(=O)NCCCCC#N)[C@H](C)c1ccc(F)cc1 352352831 OGVJHVVTXLYPFH-CYBMUJFWSA-N 291.370 3.612 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 604881154 BXJLLPPOIBCGRG-GFCCVEGCSA-N 282.387 3.741 30 20 CHED CC1(C)CCC(C(=O)Nc2ccc(C#N)c(C#N)c2)CC1 350025890 HWVFVFNRKRDAGH-UHFFFAOYSA-N 281.359 3.585 30 20 CHED Cn1c(C(C)(C)C)nc2cc(N[C@@H]3CC[C@H](C#N)C3)ccc21 442845627 NHYCHEOJQXVCHC-QWHCGFSZSA-N 296.418 3.975 30 20 CHED CCc1c(N[C@@H]2CC[C@@H](C#N)C2)cnn1CCC(C)C 442858350 HLXHZKGUNRBHHT-ZIAGYGMSSA-N 274.412 3.596 30 20 CHED C=CCC1(CN[C@@H]2CCO[C@H](C(F)(F)F)C2)CCCC1 449606260 QDDFORLZSRZKPV-OLZOCXBDSA-N 291.357 3.822 30 20 CHED COc1cccc(C)c1CN(CCC#N)Cc1ccco1 602431376 BYEBPXSXSZNHDT-UHFFFAOYSA-N 284.359 3.513 30 20 CHED Cc1ccc(-c2nnc(S[C@H](C#N)C3CC3)o2)c(C)c1 601076527 NHGTVESQMRSDPI-CYBMUJFWSA-N 285.372 3.748 30 20 CHED Cn1ccc2c(NCc3cc(C#N)ccc3F)cccc21 531389889 RHWBFWBBYLWXCP-UHFFFAOYSA-N 279.318 3.801 30 20 CHED Cc1cc(CNc2cnn([C@@H](C)C3CC3)c2)ccc1C#N 443993803 BMIQUOKRSFXVLL-ZDUSSCGKSA-N 280.375 3.646 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(c3cccc(Cl)c3)CC2)C1 442774849 BBNIYHBAIQNUAX-DOMZBBRYSA-N 274.795 3.653 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)NCC(C)(C)C#N 611688140 IKPCMAUWJLIQFT-AWEZNQCLSA-N 264.413 3.649 30 20 CHED COc1cc(Cl)c(C)cc1N[C@H]1CC[C@H](C#N)C1 442863421 CWLOSZODURWBMI-QWRGUYRKSA-N 264.756 3.761 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 448801081 TYJNQCWKFKLIFI-UHFFFAOYSA-N 298.264 3.997 30 20 CHED CC[C@H](C)CCCCC(=O)N(CC)C[C@H](C)C#N 612279655 TWPQNALRJFUAMS-UONOGXRCSA-N 252.402 3.601 30 20 CHED C=CCC1(NC(=O)CCOc2cccc(F)c2)CCCC1 619113122 CXDNQSJKNZKRTP-UHFFFAOYSA-N 291.366 3.600 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)C1CCCC1 610521519 DLIWTIVEUSLCRV-IAQYHMDHSA-N 290.794 3.847 30 20 CHED CO[C@]1(C)C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1(C)C 611393585 IGOVUINCQZQWMZ-ZHALLVOQSA-N 298.430 3.729 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 538302071 VVGLZBHCJSRFJN-BZUAXINKSA-N 281.440 3.690 30 20 CHED Cc1cc(COc2cccc3ncccc23)ccc1C#N 447325751 RDRNGWKSKVBNDE-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=C1CCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)CC1 448912755 QZSNSWZNISKJEU-SJORKVTESA-N 269.388 3.749 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)c1cc2ccccc2o1 448660796 KUFVLKVNBLWURD-YUELXQCFSA-N 299.370 3.543 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 449968985 ZUXGQCKKDHLPDO-AWEZNQCLSA-N 259.393 3.563 30 20 CHED C=CC(C)(C)C(=O)NCCSCc1ccc(C)cc1 448592081 LQYBPOLDIGPEOP-UHFFFAOYSA-N 277.433 3.557 30 20 CHED COc1ccc2c(c1)CC[C@@H](Nc1ccc(F)cc1C#N)C2 612098326 MMAMZNZEOSSMKA-MRXNPFEDSA-N 296.345 3.675 30 20 CHED N#Cc1cc2c(nc1N1CCCC3(CCCC3)C1)CCC2 445667127 YVCIHLZJSFPJHW-UHFFFAOYSA-N 281.403 3.603 30 20 CHED C=C(C)[C@H](CC(=O)N(CC(C)C)CC(C)(C)C)OCC 535908494 XDAPEWUKNKCOEK-HNNXBMFYSA-N 283.456 3.888 30 20 CHED CCCn1ncc(NCc2ccc(C#N)c(C)c2)c1C1CC1 449417362 XSEIESKEBSABEJ-UHFFFAOYSA-N 294.402 3.963 30 20 CHED Cc1cc(C)cc(OCCN[C@H](C)c2cccc(C#N)c2)c1 539495538 WBXJWELJYDSWPV-MRXNPFEDSA-N 294.398 3.905 30 20 CHED Cc1ccc2nc(C(=O)NCC(C)(C)CCC#N)ccc2c1 354982166 ZOOUWGYGHAUEAA-UHFFFAOYSA-N 295.386 3.603 30 20 CHED CC(C(=O)N[C@H](C#N)c1ccc(Cl)cc1)=C1CCCC1 267842634 ISEHTTAOPMHQPZ-OAHLLOKOSA-N 288.778 3.911 30 20 CHED CCc1ccc(NC(=O)c2ccc(C#N)s2)cc1C 535804187 VRFQBKZGJLNDLF-UHFFFAOYSA-N 270.357 3.743 30 20 CHED Cc1ccc(CCCN[C@@H](C)c2cccc(C#N)c2)cn1 619427365 QRRNNVKLKFDTPI-HNNXBMFYSA-N 279.387 3.545 30 20 CHED C=C(CNC(=O)[C@H](CCC)c1ccccn1)c1ccccc1 360209514 QKUQUBNPBFQUSC-QGZVFWFLSA-N 294.398 3.795 30 20 CHED CCC[C@H](Nc1cccc(C#N)n1)c1ccccc1 531195316 SZXKVKXECYBLTJ-HNNXBMFYSA-N 251.333 3.907 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)NCC(C)(C)CC#N)CC1 457997230 UZMJDOGHILYUTH-HDJSIYSDSA-N 264.413 3.505 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc2cnccc2c1 618808949 MDZUZDRWAXSISQ-UHFFFAOYSA-N 287.366 3.738 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(C)cc2)C1 617781749 TWHJWPOKKOWLRO-AEFFLSMTSA-N 285.431 3.988 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](N(C)C)C2)CCCCC1 450053455 RBPWYQQFKZJGEE-CVEARBPZSA-N 292.467 3.502 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@]1(C)c1ccccc1 451243394 BJYUUNAGRHRWFP-JFIYKMOQSA-N 269.388 3.531 30 20 CHED C[C@H](NC(=O)c1cc2ccsc2[nH]1)c1cccc(C#N)c1 610359250 GYSSZVQAJFEEGR-JTQLQIEISA-N 295.367 3.592 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2occ(C)c2c1 276021271 CLBMODCRILECBR-UHFFFAOYSA-N 258.321 3.781 30 20 CHED C=CCCOCCCCC(=O)Nc1c(C)cccc1F 540631850 BTKYXCNUJPCUPA-UHFFFAOYSA-N 279.355 3.836 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@]1(C)CC(C)C 452506086 CQSRGWUFSFAFSI-SFHVURJKSA-N 284.403 3.908 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccccc1OC(F)F 450671525 VVXYQBRZOGSPKQ-NSHDSACASA-N 280.318 3.632 30 20 CHED C=CCC1(C(=O)NCC2(OC)CCCC2)CCCCC1 452172606 YDAZRZAZTISDBD-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=CCC[C@@H](NCCCNc1cccc(F)c1)C1CC1 544374792 FYHHCEDFENSWBL-QGZVFWFLSA-N 276.399 3.962 30 20 CHED COCC[C@H](NCCCCC(C)(C)C#N)c1ccco1 278942484 YEISRNOSHKGWPL-AWEZNQCLSA-N 278.396 3.667 30 20 CHED C=C[C@H](CC(=O)NC[C@@H](OC)[C@H](C)CC)c1ccccc1 452411122 LTLJHDCTJRQZIL-BFYDXBDKSA-N 289.419 3.524 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)CC#N)c1c[nH]c2ccccc12 458043075 PLAGVENEFACFGM-ZDUSSCGKSA-N 297.402 3.718 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cnn(C(C)(C)C)c1C 453308699 NKAIPEKQMUZVHU-GFCCVEGCSA-N 263.429 3.809 30 20 CHED C=C[C@H](C)NC(=O)C(C)(C)c1cccc2ccccc12 450099001 XSEHTDFHTJUXPK-ZDUSSCGKSA-N 267.372 3.808 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CSc2ccccc21 452228733 VTSPWQJPHGAXAS-CQSZACIVSA-N 287.428 3.761 30 20 CHED CC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(F)F 453253959 XNMRWYQPWXPTNW-GJZGRUSLSA-N 278.346 3.959 30 20 CHED CCCCc1nc(CN2CCC(CC#N)CC2)cs1 541952745 WQMMLIVANQCIAD-UHFFFAOYSA-N 277.437 3.611 30 20 CHED CCC[C@H](NCc1ccc(C#N)c(F)c1)c1ccccn1 453382920 LZEIMYYCEBPMPH-INIZCTEOSA-N 283.350 3.723 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1c1ncccc1C#N 541207190 JKLHBDGWQNWORG-GOEBONIOSA-N 277.371 3.726 30 20 CHED C[C@H](NC(=O)C1(C)CCCCC1)c1ccc(C#N)cc1 548033096 CFKKBWLMSGEFLD-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED N#CCc1ccc(CNC2(c3cccc(F)c3)CC2)cc1 544120063 LQJDWUNRMHAQJK-UHFFFAOYSA-N 280.346 3.671 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 361740123 FIOUDDSFFMRYEI-NSHDSACASA-N 298.361 3.946 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)CCC=C(C)C 459000981 ZZURNACVXCGJNO-CQSZACIVSA-N 252.402 3.729 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 458992077 VDPNZOZWVLEQFU-JTQLQIEISA-N 292.345 3.571 30 20 CHED C[C@H](C#N)CN(C)C[C@@H](C)c1cccc(Cl)c1 275755275 TXGKRAJCGXCWCZ-VXGBXAGGSA-N 250.773 3.535 30 20 CHED COc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1C 273070683 NDBMWOXNVGPCTA-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCCCc1nc(-c2cccc(NC(=O)C(C)C)c2)no1 545597564 QLNPYHXHPFLGIM-UHFFFAOYSA-N 299.374 3.840 30 20 CHED C=CC[C@H](CC)NC(=O)NCC1(Cc2ccccc2)CC1 542142001 JYPTVVQOHDDWKO-INIZCTEOSA-N 286.419 3.663 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 271666125 FNAHCDLZSLYYQU-OLZOCXBDSA-N 272.392 3.577 30 20 CHED CCCC(=CC(=O)N(CCC#N)Cc1ccccn1)CCC 271516937 PXOZAFIVIPCBDA-UHFFFAOYSA-N 299.418 3.850 30 20 CHED CC#CCCNC(=O)Nc1ccc2nc(C3CC3)sc2c1 543613358 CLYQMWABDCMXJJ-UHFFFAOYSA-N 299.399 3.709 30 20 CHED CC(C)OCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 371781486 KUPCNWUZQAWOHJ-MSOLQXFVSA-N 286.419 3.573 30 20 CHED CCc1cccc(C)c1NCCOc1cccc(C#N)c1 462201134 SPFCDDKEYWZSMZ-UHFFFAOYSA-N 280.371 3.920 30 20 CHED N#Cc1cc(F)c(N2CC[C@H](Cc3ccccc3)C2)c(F)c1 462852748 FZXFINWGNDEUPM-CQSZACIVSA-N 298.336 3.905 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1ccccc1SC 281506822 XDCGVUAANJAVOG-AWEZNQCLSA-N 292.448 3.905 30 20 CHED Cc1ccnc([C@@H](C)Nc2ccccc2O[C@H](C)C#N)c1 286272922 VPRIREUHVHLJCO-ZIAGYGMSSA-N 281.359 3.854 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCCC#CC 466438848 QKBXCVRZQYBADO-UHFFFAOYSA-N 261.409 3.775 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)Cc1ccc(C#N)cc1 283697128 VBEFYPOAAVWOQX-CQSZACIVSA-N 284.403 3.528 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C/C(C)=C\c1ccccc1 469837441 ZDUYIYUDFJWRFT-ARBVUSPFSA-N 299.414 3.530 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 285381922 IWUIQMPQVBWMTR-CMPLNLGQSA-N 276.767 3.520 30 20 CHED C=CCCCCCN(C)C(=O)c1ncccc1OCCC 469472724 PKXRQIAHQYFZER-UHFFFAOYSA-N 290.407 3.689 30 20 CHED C=CCC[C@H](NCc1ccccc1CO)c1ccco1 552044565 GOBBTNDOQOLKET-INIZCTEOSA-N 271.360 3.569 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1OC1CCCC1 465156720 POIGVFBUQJCFLO-LBPRGKRZSA-N 274.364 3.704 30 20 CHED CC(C)c1ccoc1C(=O)N(C)Cc1ccc(C#N)cc1 284434149 GNSRLVLJVSSOQY-UHFFFAOYSA-N 282.343 3.547 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1C 460945527 AVHVRLNTUORIFG-KGLIPLIRSA-N 290.455 3.678 30 20 CHED CC[C@](C)(C#N)C(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 557019593 KJKUBMZHECIKHX-JKIFEVAISA-N 278.440 3.895 30 20 CHED CCCC[C@@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 800382974 LIRQTZSWMSAJCM-CHWSQXEVSA-N 283.375 3.576 30 20 CHED C=CCCC1(c2nc(-c3cc(CC)ccn3)no2)CC1 558384145 WRYHNJHHGIZTKW-UHFFFAOYSA-N 269.348 3.692 30 20 CHED Cc1cc(NC[C@H](C)c2ccc(F)cc2)cc(C#N)n1 553317336 SRAFEJDERJZOSS-NSHDSACASA-N 269.323 3.616 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@@H]1OCCc2sccc21 292017923 ZJCCEDQQKPCLDX-ZOWXZIJZSA-N 265.422 3.695 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2c(F)cccc2Cl)nn1 809158783 DDQKTJCTNGIWBL-VOTSOKGWSA-N 293.729 3.548 30 20 CHED C=CCCCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 471552483 SJIOGKRBCJDCKJ-ZBFHGGJFSA-N 275.367 3.934 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C2CCCC2)nn1C 293537159 RSLJTFAHZMHAHA-UHFFFAOYSA-N 275.396 3.619 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(OC(C)C)nc2)n1 645624224 XJXRKNPPKADJTK-UHFFFAOYSA-N 287.363 3.773 30 20 CHED CN(Cc1cc2ccccc2o1)[C@@H]1CC[C@H](C#N)C1 292833111 OYMAZXUAMMXXFR-GXTWGEPZSA-N 254.333 3.557 30 20 CHED COc1cc(NC(=O)c2cccc(CC#N)c2)c(C)cc1C 478575226 JXBMTFITWJOCIR-UHFFFAOYSA-N 294.354 3.630 30 20 CHED C=CC[C@@H]1N(C(=O)COc2ccccc2)CCCC1(C)C 470296556 DYLILHXQCOTZMB-INIZCTEOSA-N 287.403 3.659 30 20 CHED C#C[C@H](CCC)NC(=O)CCSc1cccc(Cl)c1 808420555 IQAPABBZQYLMKN-CYBMUJFWSA-N 295.835 3.740 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)C1CCCCC1 567968432 HWANQMZHCTUXSC-UHFFFAOYSA-N 288.439 3.891 30 20 CHED C#C[C@@H](NCc1ccc(C)cc1-c1ccnn1C)C(C)(C)C 809780928 AQNGJLSJWJJZGN-GOSISDBHSA-N 295.430 3.533 30 20 CHED C[C@H](C#N)N(C)C(=O)C1(c2cccc(Cl)c2)CCCC1 294477313 WQIISSXZKHGDFV-GFCCVEGCSA-N 290.794 3.522 30 20 CHED C=CCn1cccc1C(=O)N(CC(=C)C)Cc1ccccc1 473364387 DQWIVCBTMNGNPY-UHFFFAOYSA-N 294.398 3.893 30 20 CHED CCC(O)(CC)C(C)(C)CN[C@H](C)c1ccc(C#N)cc1 566488803 CYTMDCKOGZKAGP-CQSZACIVSA-N 288.435 3.786 30 20 CHED CCN(CC#N)C(=O)c1c(Cl)cc(Cl)cc1Cl 294562732 ONGFVKDHDHQMCH-UHFFFAOYSA-N 291.565 3.632 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 815753884 VQUYSMLUNPOXFK-WDEREUQCSA-N 259.340 3.529 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(-c2ncco2)cc1 488799639 KRXPQBCYUFPVRY-UHFFFAOYSA-N 293.326 3.581 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1C[C@H](c2ccc(F)cc2)C1 814183466 IYIWUNPUBZARQB-XCIKDZBTSA-N 299.345 3.905 30 20 CHED C=CCCCCCCCN[C@H](C)c1cn(C)nc1C 810243599 QXIYDTKIXNZMCF-CQSZACIVSA-N 263.429 3.906 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 565535902 WCSNTXOBPZGZKP-UKPHBRMFSA-N 276.424 3.791 30 20 CHED C#CC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 815083540 QTHKFTABRYGPEQ-LJQANCHMSA-N 292.426 3.915 30 20 CHED C=CCC[C@@H](C)NCC1(CCOC)CCCCC1 480715547 UPOXTLHUKGGBMN-OAHLLOKOSA-N 253.430 3.918 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cn(C)nc2C(F)F)c1 812240325 LMVBIEZNVAJEHO-SREVYHEPSA-N 290.313 3.871 30 20 CHED C(=NOC1CCC1)c1cnc(C2CCCC2)s1 812237030 HCAXTBGMOLVQBE-UHFFFAOYSA-N 250.367 3.704 30 20 CHED C=CCCCCCN1CCCC[C@H]1[C@H](O)C(F)(F)F 488137749 KOJFJFZVWZFICK-STQMWFEESA-N 279.346 3.511 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1[C@@H](C)CCC 489037896 HHAUJNDASJZLSG-GJZGRUSLSA-N 274.408 3.715 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)c1cccc(F)c1 488883602 ZNPFZSUVXRQRBS-CZUORRHYSA-N 275.367 3.886 30 20 CHED CCOc1ccc(NN=Cc2cccnc2Cl)cc1 814985418 FWTWRQPSFHAYBZ-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C=C[C@H](CO)N[C@@H](C)c1ccc(-c2cccs2)cc1 658334744 AXWUDMDTAPHBAI-SWLSCSKDSA-N 273.401 3.613 30 20 CHED CCN(Cc1ccccc1C(C)(C)C#N)CC(C)C 487375914 ZSSGIKAJPUIEDN-UHFFFAOYSA-N 258.409 3.966 30 20 CHED C=CCCCCOC(=O)c1ccn(C2CCCC2)n1 811010437 SEPGONMMZMKSNA-UHFFFAOYSA-N 262.353 3.511 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@H]1CCC(C)=C(C)C1 577954713 PEUYEYDBZAKBAM-AWEZNQCLSA-N 283.375 3.675 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCc2ccccc21 573057989 KCRZJDVOMGFVNP-FGTMMUONSA-N 299.414 3.504 30 20 CHED Cc1ccc(NN=C(CC(C)C)c2ccccc2)nn1 729935830 RUDIDUHSNOJCAY-UHFFFAOYSA-N 268.364 3.647 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccnc(Cl)c2F)C1 826947656 RMNVVORKYNKATO-LLVKDONJSA-N 268.763 3.662 30 20 CHED C=CCCCCN1CCC(O)(c2c(F)cccc2F)CC1 828987937 OIHNQYMBYNXTTR-UHFFFAOYSA-N 295.373 3.605 30 20 CHED C=CCCNC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 665940462 CKPDVFOBCGIHGW-AWEZNQCLSA-N 264.413 3.563 30 20 CHED Cc1ccccc1OCCON=Cc1cccc(F)c1 824222875 PSFAORDJNQRWPG-UHFFFAOYSA-N 273.307 3.564 30 20 CHED C#CCCCCCC(=O)OCC[C@@]1(C)C[C@]1(F)Cl 822048301 IOKMKEWROQYIJD-UONOGXRCSA-N 274.763 3.818 30 20 CHED CC(C)Cc1ccc(CC(=O)NC2(C#N)CCCCC2)cc1 585717370 CALKZLVOJITLFH-UHFFFAOYSA-N 298.430 3.770 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 826946919 LXOZEVZYDVEQFI-CVEARBPZSA-N 284.403 3.766 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(C#N)c(F)c2)C1 581102289 XJENBNMVCCDKNM-NWDGAFQWSA-N 289.354 3.740 30 20 CHED C#C[C@@H](CCC)NC(=O)N(Cc1ccccc1F)C(C)C 820640534 PBHMPIHQQSROMM-HNNXBMFYSA-N 290.382 3.548 30 20 CHED C=CC1CCN(C(=O)/C=C/c2ccc3[nH]ccc3c2)CC1 492316217 FTGMOBUSNSZFSM-GQCTYLIASA-N 280.371 3.606 30 20 CHED Cc1cc(SC[C@@H]2CCCC[C@H]2O)ccc1C#N 584052805 HFORCPALIFNOKG-DZGCQCFKSA-N 261.390 3.510 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1occc1CSc1ccccc1 491775005 DEIROEPOVCZNOZ-CYBMUJFWSA-N 299.395 3.666 30 20 CHED C[C@@H](NCc1ccc(F)cc1C#N)[C@H](C)c1ccccc1 495410661 YLLJNHLOEYWTRH-UONOGXRCSA-N 282.362 3.979 30 20 CHED C#CCN(C(=O)Nc1ccccc1C(C)C)C(C)C 902936867 CCCWQHNGHHIMGT-UHFFFAOYSA-N 258.365 3.686 30 20 CHED CC(C)COc1cccc(NCc2cc(C#N)ccn2)c1 901372659 ADBATQNEYDXFMB-UHFFFAOYSA-N 281.359 3.600 30 20 CHED CC[C@@H](CCc1ccccc1)NCC1(C#N)CCC1 903035718 TYRBTYWXMYXNAA-INIZCTEOSA-N 256.393 3.681 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@]23CCC[C@@H]2C3)c1 665956479 RJTVBHGOFOBUMX-CXAGYDPISA-N 286.375 3.706 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H]3C[C@H]32)c1 588066733 XESYXULWYDWLIN-CMPLNLGQSA-N 266.266 3.566 30 20 CHED CCc1ccc(CC/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 735978838 MSCZPYQVCRYLAT-PDGQHHTCSA-N 298.342 3.524 30 20 CHED C[C@@]1(CNc2cccc(C(F)F)c2C#N)C[C@H]2CC[C@H]1O2 580784242 RPMWURIXWZLXMD-HQQWDMGQSA-N 292.329 3.865 30 20 CHED N#CCCCCCC(=O)Nc1ccc2ncsc2c1 588151095 XHKOEKDHBRLZSB-UHFFFAOYSA-N 273.361 3.709 30 20 CHED COc1ccc(Cl)cc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839059815 XQGUWGGSIZFMNH-CMPLNLGQSA-N 293.750 3.588 30 20 CHED C#Cc1cccc(NC(=O)c2csc(-c3ccoc3)n2)c1 730964313 XVFDBTWPMZLVCK-UHFFFAOYSA-N 294.335 3.637 30 20 CHED C=CCC1(C(=O)OCC/C=C/Br)CCC1 835797781 OQPDEUOVUFMHGK-YCRREMRBSA-N 273.170 3.575 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc(C(F)F)cc1 839036607 XCYLCLSOHLZERO-JTQLQIEISA-N 252.260 3.583 30 20 CHED CC(C)C1(C)CCN(C(=O)c2cc(C#N)ccc2F)CC1 832517175 DOTYMEYUIMIFDK-UHFFFAOYSA-N 288.366 3.596 30 20 CHED C=CCCN1C[C@H](c2cccc(F)c2)OCC1(C)C 661735260 BHDSMIDUPVIMSY-OAHLLOKOSA-N 263.356 3.554 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 834904435 YGXLBWKVGNTCKV-OAHLLOKOSA-N 278.399 3.585 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccsc1C(F)F 904179213 DWOMXYBJEFGXIN-CYBMUJFWSA-N 286.347 3.744 30 20 CHED C[C@@H](NN=C1CC[C@@H](Cc2ccccc2)C1)C(F)(F)F 834998420 HASARMPFTBTCCZ-YPMHNXCESA-N 284.325 3.926 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc2nc(O)oc2c1 588232161 CNVJQONOSYCJKW-LLVKDONJSA-N 287.363 3.514 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1scnc1-c1ccccc1 835297845 HHUCFZJWCUXZSA-LBPRGKRZSA-N 287.384 3.860 30 20 CHED Cc1nsc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)c1C#N 587981523 ZLIZAPUGPJUXRA-WCQYABFASA-N 293.436 3.576 30 20 CHED C#Cc1cccc(NC(=O)NC2(CC)CCCC2)c1 836254203 SKAXHOFOCIYMIP-UHFFFAOYSA-N 256.349 3.512 30 20 CHED C#Cc1cccc(CN[C@H](C)c2cc(C)ccc2OC)c1 834903025 NTRRDYZDKDXIKY-OAHLLOKOSA-N 279.383 3.836 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(F)cc2)C12CCCC2 743420448 GJUIEHPHBAAZOL-OAHLLOKOSA-N 276.355 3.963 30 20 CHED CC(=NN=Cc1ccc(Cl)c(Cl)c1)c1cnccn1 745209006 OMPIIIWBBWLHCU-UHFFFAOYSA-N 293.157 3.627 30 20 CHED CC1(C)CCN(C(=O)CC2(C#N)CCCCC2)CCS1 597578945 WPGLFJXSCMSPPS-UHFFFAOYSA-N 294.464 3.595 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 597779336 LOAKCZCZXILLDI-HYVNUMGLSA-N 284.403 3.721 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1 742436260 IVKYJJGEVPSGGZ-WTKPLQERSA-N 280.323 3.622 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc(C3CC3)cc2)CC12CCCC2 590693412 XUEFIKHONYKMKM-GOSISDBHSA-N 280.371 3.977 30 20 CHED Clc1ccc(C=NOCc2cccnc2)c(Cl)c1 746585885 OEKUOMQNVXLSKT-UHFFFAOYSA-N 281.142 3.939 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccccc1F 915962121 NHMLXHHIRMNYHK-UHFFFAOYSA-N 253.280 3.533 30 20 CHED C=C(Br)CN1CC=C(c2ccc(C)cc2)CC1 919647717 JYPWPJCWFMHHHV-UHFFFAOYSA-N 292.220 3.993 30 20 CHED Fc1cccc(F)c1C=NNCc1ccccc1Cl 918152917 NJRMCIKQJZWCQE-UHFFFAOYSA-N 280.705 3.742 30 20 CHED CSc1ccc(CCCC(=O)O[C@H](C)CC#N)cc1 842716364 FEELLJQCGOUYRZ-GFCCVEGCSA-N 277.389 3.577 30 20 CHED Cn1ccc(C=NNc2ccnc3cc(Cl)ccc23)c1 749853052 BMGHOOJPYSXXAK-UHFFFAOYSA-N 284.750 3.673 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1C[C@H]1c1ccccc1 590962121 HCLOKINRNBDTBL-IHPCNDPISA-N 288.394 3.939 30 20 CHED Cc1ccsc1C=NNc1ncnc2sccc12 916367902 BFQXRQNAURIPMK-UHFFFAOYSA-N 274.374 3.507 30 20 CHED CC(CCc1ccco1)=NNC(=S)Nc1ccccc1 917025140 FEYYZRYXBLPEGO-UHFFFAOYSA-N 287.388 3.575 30 20 CHED Cc1ccc(C)c(NN=Cc2ccccc2[N+](=O)[O-])c1 916345759 LYTGWRBFQFFAKQ-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)c1cccs1 595062850 WRDJGSJNSPZFTH-GFCCVEGCSA-N 256.374 3.513 30 20 CHED C=CCCSCCNC(=O)c1cc2cc(C)ccc2o1 597972036 OCUCOGFOHIDAFA-UHFFFAOYSA-N 289.400 3.780 30 20 CHED C/C(=C/C(=O)N(C)c1ccc(C#N)cc1)c1ccccc1 749151076 RQBGWCOTQBTYMY-OWBHPGMISA-N 276.339 3.625 30 20 CHED CCCCC[C@H](C)CC(=O)N(CCC#N)CC1CC1 742639249 WGNUUSDEFLBCNF-AWEZNQCLSA-N 264.413 3.745 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)CCCCCC#N 590771471 MQGOSQHLPGCADZ-AWEZNQCLSA-N 250.386 3.712 30 20 CHED CCC(C[C@H](C)CC)=NNc1ccc(CC(=O)O)cc1 848415492 MSFNSBYWUSFQNJ-GFCCVEGCSA-N 276.380 3.928 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCCc2ccc(F)cc2)C1 847075897 DKYMQTBFHKNRJE-GOEBONIOSA-N 289.350 3.774 30 20 CHED C(=NOCc1cccnc1)c1cccc2ccccc12 746588729 RLBBGHMRTTWGEI-UHFFFAOYSA-N 262.312 3.786 30 20 CHED CCOc1cccc([C@H](C)/N=C\c2cc(OC)ccc2O)c1 745012718 ONJYCKWLYHHIDW-QXGSTRBFSA-N 299.370 3.980 30 20 CHED Cc1ncsc1CCSCCc1ccc(C#N)cc1 596362359 ZTLPUMVWXGXPJF-UHFFFAOYSA-N 288.441 3.842 30 20 CHED CCc1cccc2cc(CN(C)C[C@@H](C)C#N)oc12 596990909 GRYGMZFDRFNEAK-LBPRGKRZSA-N 256.349 3.587 30 20 CHED C=C(C)CCOC(=O)[C@H]1CCSc2ccccc21 744304768 CHRLKCIAOUPEHY-ZDUSSCGKSA-N 262.374 3.775 30 20 CHED CCN(CCSc1cccc(Cl)c1)[C@H](C)C#N 595819624 SUGQJDPHPLHJSU-LLVKDONJSA-N 268.813 3.666 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)ns1 683689723 KFBVPKDBAVMVBL-VIFPVBQESA-N 291.401 3.522 30 20 CHED CCC(=NN=C(C)c1cnccn1)c1ccc(Cl)cc1 745200502 GJZPITAIQFLUAO-UHFFFAOYSA-N 286.766 3.753 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)CC2(C#N)CCCCC2)C1 598299700 RNECVLSAOZAOQZ-HUUCEWRRSA-N 276.424 3.888 30 20 CHED CCOc1c(Cl)cccc1CN1CCC[C@H](CC#N)C1 597177515 NXUDQSYIWZABIG-CYBMUJFWSA-N 292.810 3.864 30 20 CHED CC1(C)CCC[C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)C1 595646720 MVNKWSNNSCXBKR-GJZGRUSLSA-N 291.439 3.538 30 20 CHED C[C@]1(C#N)CCCN(c2nc3cccc(F)c3s2)C1 590697161 JVYWJDCXISJAGQ-CQSZACIVSA-N 275.352 3.565 30 20 CHED C(=NOCc1cccnc1)c1cccc(-c2cccnc2)c1 746588639 QONMZFRWPAZNBN-UHFFFAOYSA-N 289.338 3.694 30 20 CHED CCC1CC(=O)C(=CNc2cc(Cl)ccc2F)C(=O)C1 920980544 PKACKTXHKIQMQX-UHFFFAOYSA-N 295.741 3.733 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cnc(C)nc1C 741458440 ZASGGPYQBZJQJI-UHFFFAOYSA-N 268.364 3.546 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H](C)C(C)(C)C)cc1 742859936 DYDNEFSKLFBCML-GFCCVEGCSA-N 262.349 3.839 30 20 CHED N#Cc1ccccc1COC(=O)CC1CCCCC1 845150961 SKBZLMUNIONVMS-UHFFFAOYSA-N 257.333 3.572 30 20 CHED Cc1ccc(C2(C(=O)OCC(C)(C)CC#N)CCC2)cc1 842758613 KFSPLAOXZWNDRW-UHFFFAOYSA-N 285.387 3.900 30 20 CHED CCOc1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1 921266806 SOAGCTSCUYMAAQ-JLHYYAGUSA-N 298.313 3.883 30 20 CHED C[C@H](C=NNc1nncc2ccccc12)c1ccc(F)cc1 756870466 KRURUJDTHMPMHU-GFCCVEGCSA-N 294.333 3.970 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccccc2COC)no1 685255750 GRPRWTAKXNNPOX-MRXNPFEDSA-N 272.348 3.737 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C(\C)CCC 920221882 NGIUNUKJADXDHB-FYWRMAATSA-N 287.403 3.956 30 20 CHED C=CCN(Cc1nc(C(F)(F)F)cs1)C(C)C 751963592 KIRSOEPPNYKUIE-UHFFFAOYSA-N 264.316 3.558 30 20 CHED CCN(Cc1cc(C(C)C)c(C)cc1O)[C@@H](C)C#N 853582886 VABDJXCRERJMJJ-ZDUSSCGKSA-N 260.381 3.558 30 20 CHED FC(F)(F)c1ccc(NN=CC2CCOCC2)cc1 755804417 MONINYGNUKTOCD-UHFFFAOYSA-N 272.270 3.530 30 20 CHED C=C(CN[C@@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 684112823 CTQOQRSQYPQEHF-QZTJIDSGSA-N 295.430 3.749 30 20 CHED CCCCCCCCCC(=O)N1CCC(OC(C)=O)CC1 753146653 PITIPEZMVPDBGQ-UHFFFAOYSA-N 297.439 3.681 30 20 CHED Fc1ccc2c(c1)C(=NNc1cccc(Cl)c1F)CO2 921137744 JGSGJAOLPMJQFQ-UHFFFAOYSA-N 294.688 3.827 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc3cccnc23)s1 750394742 IKLVSGRVGNGVFZ-UHFFFAOYSA-N 294.335 3.525 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CCc3cc(C)ccc32)c1 920178550 TULAIMPOGOSDKC-HDZGYNCQSA-N 281.355 3.816 30 20 CHED C[C@H]1C[C@@H](Nc2snc(Cl)c2C#N)CC[C@H]1C 754115915 XJIZMMZSXZOBRS-VGMNWLOBSA-N 269.801 3.905 30 20 CHED C[C@@H]1CCCC(=NNc2cncc(Br)c2)C1 758116969 DFNXNIVTILVUOS-SECBINFHSA-N 282.185 3.822 30 20 CHED C#CC[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1ccccc1 757597795 HVZPWZGWICPNCD-VYDXJSESSA-N 269.388 3.694 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC(C)(C)c1ccccc1 684886739 SASUWDDLPMMPMY-OAHLLOKOSA-N 274.408 3.618 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1cnn(-c2ccccc2)c1 755591266 SKOFLBFZPMZNCP-ZHACJKMWSA-N 299.333 3.640 30 20 CHED COc1cccc(/C=N\[C@@H]2CCC[C@H](C)[C@@H]2C)c1O 920943527 ZSOMUTHEMRLRFQ-UUMQHJJASA-N 261.365 3.644 30 20 CHED CCCn1nccc1C=NOc1ccccc1C(F)(F)F 853325477 LKGKRDMJQLMRDW-UHFFFAOYSA-N 297.280 3.725 30 20 CHED C[C@H](CSC(C)(C)C)NCCc1ccc(C#N)cc1 850487570 IHRCOZAIQPUNEC-CYBMUJFWSA-N 276.449 3.611 30 20 CHED C#C[C@H](CC)NC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 754388556 MXSZOPRLJUSLJF-BBWFWOEESA-N 293.451 3.670 30 20 CHED C#CC[C@H](Nc1nnc(C2CC2)s1)c1ccccc1 756956981 HWFLBEUVCKPGCR-ZDUSSCGKSA-N 269.373 3.592 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)CCc1cscn1 851141945 FBJLPXAXFZWUSH-JSGCOSHPSA-N 279.405 3.754 30 20 CHED CCCCCCCNC(=O)N[C@H]1CCOC2(CCCC2)C1 858110458 CRHKVWZFLYOQOX-HNNXBMFYSA-N 296.455 3.748 30 20 CHED O=C1c2ccccc2CN1N=C/C=C\c1ccc(F)cc1F 758127241 QNQNEWHEHACXBJ-JQGCVAJDSA-N 298.292 3.620 30 20 CHED Fc1ccc(/C=C/C=NNc2ccnc(F)c2)c(F)c1 758126668 MUTSSECXWKLIJJ-MURYRYTESA-N 277.249 3.610 30 20 CHED CC1(C)CCCCC1=NN=c1cc[nH]cc1Cl 757584934 SUFYZRSRMCYBFO-UHFFFAOYSA-N 251.761 3.525 30 20 CHED CC(=NNC1CCOCC1)c1cc2cc(Cl)ccc2o1 757598518 MSGBPMXDULRUCU-UHFFFAOYSA-N 292.766 3.579 30 20 CHED CCC[C@H](C(=O)OCc1ccc(C#N)cc1OC)C(C)C 766922173 KCIVFOLCSJTZDQ-HNNXBMFYSA-N 289.375 3.682 30 20 CHED C=CCC[C@H](NCc1ccc(Br)cn1)C1CC1 866568865 GIAPVQVANAPYTN-AWEZNQCLSA-N 295.224 3.679 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2cc(F)cc(C#N)c2)cc1 864043899 OWKHNLXXQFTBHI-LBPRGKRZSA-N 295.317 3.600 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C\c2cnn(C)c2)cc1 863197875 YFQDPZRKPDAEHO-OMPYUXFZSA-N 268.360 3.830 30 20 CHED CC[C@H](CC#N)OC(=O)/C=C/c1ccc(SC)s1 860693908 ADDSWAULFHDXKL-DFVUYQKZSA-N 281.402 3.719 30 20 CHED CCn1nc(C=NNc2ccc(OC)cc2)c2ccccc21 769800548 WQFNDUPOZHAONK-UHFFFAOYSA-N 294.358 3.511 30 20 CHED CCn1nc(C=NN[C@@H](C)c2ccccc2)c2ccccc21 769780529 RGFQCLOTKAVMKG-AWEZNQCLSA-N 292.386 3.741 30 20 CHED CC[C@H](C(=O)OCC1(C#N)CC1)C1CCC(C)CC1 764627194 GDZRKTKXCHRUCR-RUXDESIVSA-N 263.381 3.686 30 20 CHED C#C[C@H](OC(=O)C[C@@H]1C=CCC1)c1ccc(C)cc1 860965054 CBBRRTRGCOLMIH-ZBFHGGJFSA-N 254.329 3.569 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1nc2cccc(C)c2o1 1117756984 OBLRHJYTEHDHOT-TZMCWYRMSA-N 272.348 3.529 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1ccc(C(C)(C)C)nn1 1116219524 GFUOJGSIBYFOSO-GFCCVEGCSA-N 294.402 3.783 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)Cc1ccccc1CC#N 772915928 CCWTWALBHBBSIE-HNNXBMFYSA-N 298.430 3.770 30 20 CHED CCOc1ccc(C(C)=NNc2ccc3[nH]ncc3c2)cc1 779817963 HOBADYCAVMYLGQ-UHFFFAOYSA-N 294.358 3.798 30 20 CHED C[C@H](CCC#N)CNc1ccc2c(c1)[C@H](O)CCCC2 877624470 CCZHAZJNRWUPSQ-CXAGYDPISA-N 272.392 3.798 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC)c2cccnc12 770185112 YHGRZOSFGXTYCN-UHFFFAOYSA-N 296.370 3.766 30 20 CHED C=CCN(C(=O)Nc1ccc(SC)cc1OC)C(C)C 772657264 RWYXHEMOLWXWHH-UHFFFAOYSA-N 294.420 3.845 30 20 CHED Cc1cccc(F)c1CN[C@H](C)c1ccc(OCC#N)cc1 776163706 QRFMLKGAERBHIB-CQSZACIVSA-N 298.361 3.887 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)n1 876736376 KJHRNMWUEGPSNO-QGZVFWFLSA-N 299.324 3.569 30 20 CHED Cc1c(C(=O)OC[C@H](C)C#N)sc2ccc(F)cc12 770936010 HACGYMZSFYFSCU-MRVPVSSYSA-N 277.320 3.665 30 20 CHED CCCCN(CCCC)C(=O)c1cccc(CC#N)c1 58242690 UFFYOWIFDZXXCC-UHFFFAOYSA-N 272.392 3.795 30 20 CHED CC(C)c1nccnc1NN=Cc1c[nH]c2cccc(F)c12 773085444 IXGZZBJENVMWAQ-UHFFFAOYSA-N 297.337 3.666 30 20 CHED CC(C)(C#N)CCOC(=O)c1cnc(C(C)(C)C)s1 776377754 DVFFJEBREGBHTR-UHFFFAOYSA-N 280.393 3.537 30 20 CHED N#C[C@@H](OC(=O)CCc1ccc(F)cc1)C1CCCCC1 776364190 KZBMNKUOHFNKQP-MRXNPFEDSA-N 289.350 3.774 30 20 CHED C[C@@H](CCc1ccccc1)CNCc1ccc(C#N)cc1 776020374 VBQMMWZIDOQIDN-INIZCTEOSA-N 278.399 3.917 30 20 CHED c1ccc2c(c1)CSCC2=NNc1ccc2[nH]ncc2c1 779821020 RNFPMWJTNJCMPY-UHFFFAOYSA-N 294.383 3.626 30 20 CHED CC(C)c1nccnc1NN=C[C@@H]1C[C@H]1c1ccccc1 773078797 NPEYFRVRZWTSBQ-GJZGRUSLSA-N 280.375 3.801 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C=NNCC(C)C 771567535 PTYWXTNJQWEZSJ-UHFFFAOYSA-N 263.772 3.709 30 20 CHED CC[C@@H](C)CC(=O)N1CCC(c2ccc(C#N)cc2)CC1 887701958 QUHAKCWMRQHWAD-CQSZACIVSA-N 284.403 3.700 30 20 CHED C=CCC[C@H](C(=O)OCC1(CC#N)CC1)c1ccccc1 778653772 ANBFBVMJBSTLLL-INIZCTEOSA-N 283.371 3.973 30 20 CHED C=C(CC)COC(=O)c1cncc(-c2ccccc2)c1 773527821 ASUHZPLGCKDVOU-UHFFFAOYSA-N 267.328 3.872 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(CC(F)F)C2CCC2)c1 888350460 SFOMGENTDXNPKU-UHFFFAOYSA-N 293.317 3.518 30 20 CHED C=CC[C@H](C(=O)OCC(=C)Br)c1ccccc1 778430687 URZJAXDANKNZJP-ZDUSSCGKSA-N 295.176 3.798 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccc(F)cc1O 782348095 POZKYPMTHOKPKM-WAYWQWQTSA-N 289.331 3.761 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 787926666 WSTARWXMJRKHHZ-UHFFFAOYSA-N 264.756 3.832 30 20 CHED C#CCCCCCC(=O)Nc1ccc2nc(S)oc2c1 780642093 SEJKYGDFOBDYJN-UHFFFAOYSA-N 288.372 3.639 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cnn(C(C)C)c1C 787146038 UZDYEGUWZRDEKE-UHFFFAOYSA-N 292.333 3.887 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 786622412 BCFLVGXJMLVILI-ZDUSSCGKSA-N 282.727 3.789 30 20 CHED CC(=NOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 782228821 NGQVHMGOBBVAAC-UHFFFAOYSA-N 296.632 3.551 30 20 CHED C=CCC1(C(=O)OCc2ccc(N(C)C)cc2)CCC1 784926540 DSSPWTVLDYHEKP-UHFFFAOYSA-N 273.376 3.542 30 20 CHED CSc1ccc(C(C)=NN[C@H]2CCOC(C)(C)C2)cc1 780251587 VUUYMNPIWHTDJL-AWEZNQCLSA-N 292.448 3.680 30 20 CHED CC(=NNc1ncncc1Cl)c1ccc(Cl)s1 780282238 ACYPADMTEFTGGX-UHFFFAOYSA-N 287.175 3.681 30 20 CHED CCC(=NNCc1ccc(C#N)cc1)c1cccc(F)c1 783522639 WMFWWRXCCIGWIA-UHFFFAOYSA-N 281.334 3.601 30 20 CHED CC(C)(C)[C@@H]1CCN(c2snc(Cl)c2C#N)C1 784225178 LLXCORIKJJSHJN-MRVPVSSYSA-N 269.801 3.541 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)c1ccccc1 107296051 SWALBLDUQRRDRB-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 783307337 CGUCDEVMIQZFCA-RRFJBIMHSA-N 296.455 3.576 30 20 CHED CCO[C@H]1CC(=NNc2ccnc(F)c2)C12CCCCC2 781127785 QBHYPMCVDQDGNK-AWEZNQCLSA-N 291.370 3.748 30 20 CHED C/C(C=NOC1CCCC1)=C/c1cccc([N+](=O)[O-])c1 787163114 SAOUIVXUMADFGH-UMXABQDKSA-N 274.320 3.943 30 20 CHED C=C1CC(c2noc(C[C@@H](C)c3cccc(OC)c3)n2)C1 896884304 ZOCFVDBWPYCSHN-GFCCVEGCSA-N 284.359 3.858 30 20 CHED CCC(=NN=c1cc[nH]cc1Cl)c1cccc(F)c1 783521007 MUVOAPGWBSKCCF-UHFFFAOYSA-N 277.730 3.522 30 20 CHED Cc1cc(CNC[C@H]2CCCC(F)(F)C2)ccc1C#N 500424987 FLGLPIWENFWDCZ-AWEZNQCLSA-N 278.346 3.782 30 20 CHED Cc1ccc(S[C@@H](C(=O)NO)c2ccccc2)c(C)c1 782170637 HJXVACZYPKWHMZ-OAHLLOKOSA-N 287.384 3.642 30 20 CHED C=C(CNCc1ccc(Cl)cn1)c1ccccc1 1473982494 QIIKBKQDVYNDGK-UHFFFAOYSA-N 258.752 3.538 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C(C)C)nc2C)c(O)c1 798370835 YZHUSXJKLOCXGL-SOFGYWHQSA-N 284.359 3.683 30 20 CHED Cc1cn2c(C=NNCC3(C)CCCC3)c(C)nc2s1 793085034 VLWXFACNJTZLCZ-UHFFFAOYSA-N 290.436 3.516 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccc(OC)c1O 793225744 HLVDBCDXNXVWFO-UHFFFAOYSA-N 297.398 3.979 30 20 CHED COc1ccccc1CON=C1CCC[C@H]1c1ccccn1 794937997 MTXXALJQBKDQPM-HNNXBMFYSA-N 296.370 3.931 30 20 CHED CC(C)c1ccc(CCN2CCC[C@@H](C#N)C2)cc1 1207520964 MZJYZWIXBOEWAE-INIZCTEOSA-N 256.393 3.588 30 20 CHED CC1(C)Cc2cccc(/C=C\C(=O)c3ccnc(F)c3)c2O1 794719227 IEHASWHMMXEAJQ-SREVYHEPSA-N 297.329 3.830 30 20 CHED CC(=NNc1ncccc1F)c1ccc(OC(C)C)cc1 794990695 RPMGSYMTQPKMSN-UHFFFAOYSA-N 287.338 3.844 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1c[nH]c2ccccc12 794936968 HOZGMQVONNHZJE-FPLPWBNLSA-N 279.343 3.841 30 20 CHED CCOc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1OCC 799720308 FGPZHYHAETTWAJ-OLZOCXBDSA-N 274.364 3.588 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H]1[C@@H]1CCCO1 790794885 BCZJSUOWQVFAGU-CVEARBPZSA-N 296.455 3.700 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1Cc2cccc(O)c2C1 793588331 IWURYHLTCMUVLK-ZBFHGGJFSA-N 273.420 3.974 30 20 CHED C=CCOc1ccc(COC(=O)[C@H]2CCC(F)(F)C2)cc1 796844989 RALLOIZFYJMQOM-ZDUSSCGKSA-N 296.313 3.730 30 20 CHED C=CCCCCC[C@@H](C)NCc1nccn1C(F)F 793530005 VQIPKDHCBOMDLJ-GFCCVEGCSA-N 271.355 3.893 30 20 CHED C[C@H](NN=Cc1cc(Cl)ccc1F)C(C)(C)C 793110745 BKTUPYLYPHOCMQ-VIFPVBQESA-N 256.752 3.837 30 20 CHED CCC(=NNc1ncncc1F)c1ccc(Cl)s1 793226574 UPJFULYLSMMXRS-UHFFFAOYSA-N 284.747 3.557 30 20 CHED C=CCC(C)(C)C(=O)O[C@H]1COc2cc(Cl)ccc21 797181855 VNIWBEKGVZNCLZ-ZDUSSCGKSA-N 280.751 3.919 30 20 CHED CC(C)C[C@H]1CCCC(=NNc2ncc(F)cn2)C1 794525053 YHPONMHHHXBBGL-LLVKDONJSA-N 264.348 3.620 30 20 CHED Cc1c(F)cccc1C(=O)Nc1ccc(Cl)c(C#N)c1 690188680 XYKXHIREVBBYIV-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CN(CCC(F)(F)F)c1ccc(C#N)c(C(F)(F)F)c1 88421819 SLHMDPWXARSSSU-UHFFFAOYSA-N 296.214 3.966 30 20 CHED Cc1ccc(F)c(CCNc2c(C#N)cccc2C#N)c1 1307121147 WHJPFSZKNHXHPM-UHFFFAOYSA-N 279.318 3.532 30 20 CHED Cc1nc(NCC2(CC(C)C)CCC2)ccc1C#N 1162818177 CEINMVVVGXEOMQ-UHFFFAOYSA-N 257.381 3.890 30 20 CHED CCCC1CCN(c2ncc(C#N)cc2Cl)CC1 1319318228 IZBWXHOCVSPSCF-UHFFFAOYSA-N 263.772 3.623 30 20 CHED CC(C)c1nc(C=NNc2ccc(C#N)cc2)cs1 1317935224 RPFWJNZFKRIKHO-UHFFFAOYSA-N 270.361 3.584 30 20 CHED CC(C)Oc1ccccc1CN1CCc2c(C#N)cccc21 1171345364 YAFDPSWJISPMMX-UHFFFAOYSA-N 292.382 3.908 30 20 CHED C[C@@H](C=NNc1cncc(Br)c1)C(C)(C)C 1321260224 RFPQSFBHJRBDJX-VIFPVBQESA-N 284.201 3.924 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1ccc2c(c1)CCC2 1325213362 DKNHPVVVAUJUEH-LBPRGKRZSA-N 285.416 3.806 30 20 CHED N#CCOc1ccc(N[C@@H]2CCCc3c(O)cccc32)cc1 1323996977 JMDKPGGXUHVYHJ-QGZVFWFLSA-N 294.354 3.784 30 20 CHED C=CCC1(N[C@@H](C)Cc2ccccc2Cl)CCOCC1 1327961611 XQLIFEGZQSKZAN-AWEZNQCLSA-N 293.838 3.986 30 20 CHED C[C@H]1CCCC[C@H]1CCNc1cccc(CC#N)n1 1325709409 BMPKKPJPBHVMHA-KBPBESRZSA-N 257.381 3.776 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)C(C)(C)c1ccccc1 1326418455 RVRJGOGQDRYURZ-LBPRGKRZSA-N 298.411 3.716 30 20 CHED N#Cc1cnc(NCCC2CCC(F)(F)CC2)c(F)c1 1187860935 GYAXJOAHIUNIOV-UHFFFAOYSA-N 283.297 3.720 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccccc1Cl 1336803469 IXHAQXMULQKDCC-UHFFFAOYSA-N 251.757 3.655 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1c(F)cccc1F 1337762492 ZFTVDZLGECWUQY-LLVKDONJSA-N 265.303 3.536 30 20 CHED C=C(C)CCC(=O)N[C@H](c1ccc(OC)cc1)c1ccco1 1335984461 SEZNOCUUYKJYLH-GOSISDBHSA-N 299.370 3.850 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C)c(C(C)=O)c1 1337488228 LFOGCOMKSCBEDS-INIZCTEOSA-N 285.387 3.768 30 20 CHED N#Cc1ccnc(CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)c1 1190444713 AGPXQFWTMCZFAR-BHYGNILZSA-N 295.430 3.744 30 20 CHED C=CCC1(C(=O)O[C@@H](CC#N)c2ccco2)CCCC1 1345546318 DKXXLHDBNIADPP-AWEZNQCLSA-N 273.332 3.914 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 1196400891 ZKNVRSKDVFDVMY-KGLIPLIRSA-N 271.364 3.506 30 20 CHED COc1ccc(NN=CCCc2ccc(F)cc2)cc1 1344741377 BEPXFZAPZCURTE-UHFFFAOYSA-N 272.323 3.865 30 20 CHED C=C(C)CCC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 1346550112 SUNHGQZNWHWDOE-KRWDZBQOSA-N 273.376 3.619 30 20 CHED CCCc1ccc(C(=O)[C@@H](C#N)c2cccc(F)n2)s1 1343398809 FNGCQRKNNWGIRX-NSHDSACASA-N 288.347 3.725 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)Cc1ccc(C#N)cc1 1357793757 LSGCYGATNIWIRZ-KRWDZBQOSA-N 284.403 3.528 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)C1 1436649080 LCUMGDJPUNFQDH-SUJAAXHWSA-N 275.392 3.828 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)O[C@@H](CC#N)c2ccco2)C1 1518017601 KJFZZSNZSAVINQ-BZPMIXESSA-N 261.321 3.604 30 20 CHED CC[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C1CCCC1 1525853042 VVURYUSLHSOABH-OAHLLOKOSA-N 290.794 3.910 30 20 CHED Cc1csc(NC(=O)c2ccc(CF)cc2)c1C#N 1539627188 MAFXPFIISVVSDC-UHFFFAOYSA-N 274.320 3.650 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@H](C)C(C)(C)C2)c1 1466839309 FXIPCWVTZBFOLN-ZDUSSCGKSA-N 285.391 3.767 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1cc2cc(Cl)ccc2s1 1460501096 SJRUADBEWLXRGV-QMMMGPOBSA-N 278.764 3.539 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1C[C@H]2CC[C@H]1C2 1474430464 DIMBJZHYWKJDQW-UBHSHLNASA-N 256.349 3.557 30 20 CHED N#Cc1ccc(NCCc2cscn2)cc1C(F)(F)F 113622465 MRYRLSPLGIAETB-UHFFFAOYSA-N 297.305 3.688 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 1543864444 LFQYTDQAQDIOPO-NSHDSACASA-N 299.305 3.501 30 20 CHED CC[C@@H]1CCCC[C@H]1CNc1snc(C)c1C#N 1612432659 MZYOXKMGVDXWDW-NEPJUHHUSA-N 263.410 3.952 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(O)c(F)c1 1621404357 GVOJTQHOGVEYKK-LBPRGKRZSA-N 284.334 3.596 30 20 CHED C[C@H]1CCCC[C@H]1CNc1nc(C#N)c(Cl)s1 1642179669 XVMQZOZHNGVXJU-IUCAKERBSA-N 269.801 3.906 30 20 CHED CN(c1ncccc1C#N)[C@@H]1CCC[C@@H]1C(C)(C)C 1640047206 NMKRGLTULOGFGG-UONOGXRCSA-N 257.381 3.604 30 20 CHED Cc1cccc(C(C)(C)CNc2ccc(C#N)c(C)n2)c1 1655052218 XGGPAOPQPSALDL-UHFFFAOYSA-N 279.387 3.960 30 20 CHED C#CC[C@@H](N[C@H](C)c1cc(C(=O)O)cs1)c1ccccc1 1588421804 OKSPZWSCLFECRL-IUODEOHRSA-N 299.395 3.862 30 20 CHED N#Cc1nnc2ccccc2c1NCc1cccc2[nH]ccc12 1655790057 YCIVDHBVMOWBPL-UHFFFAOYSA-N 299.337 3.595 30 20 CHED CC(C)[C@]1(C)C[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1667341144 BXCLVZVRCPARNF-HIFRSBDPSA-N 291.782 3.768 30 20 CHED C=C(Cl)Cn1c(CC(C)C)nnc1N(CCC)CCC 1593889868 TWKXAJARYVUNRT-UHFFFAOYSA-N 298.862 3.856 30 20 CHED CCc1ccc(COc2ccc(C#N)cc2F)cc1 232363900 FLEWHBHVCIATPI-UHFFFAOYSA-N 255.292 3.839 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)C1 1776153020 AKKHJOFQIQJACH-CUSZFKRNSA-N 291.435 3.556 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2ccccc2F)cc1F 1776131619 WRTNNRKEUFSIRL-VURMDHGXSA-N 288.249 3.559 30 20 CHED C=C(Cn1c(CC)nnc1N(CC)CCC)c1ccccc1 1690324333 OIBHLUKEPFXTFK-UHFFFAOYSA-N 298.434 3.790 30 20 CHED C=CCN(C)C(=O)c1sc(-c2ccc(F)cc2)nc1C 161668466 CNWFTJCSCUJNLA-UHFFFAOYSA-N 290.363 3.516 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)cc2F)cc1 162180548 FQEQPTRRPDMDBS-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#CCc1cccc(C(=O)Nc2nccc3sccc23)c1 162739930 JAKRFKNGWVLXEM-UHFFFAOYSA-N 293.351 3.615 30 20 CHED CCN(CC#N)C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 160092954 NTUYALWHCSXQRK-JKSUJKDBSA-N 294.439 3.514 30 20 CHED CCCC(CCC)[S@@](=O)Cc1ccc(OC)c(C#N)c1 160660696 CIEDGYQMLIIGLN-HXUWFJFHSA-N 293.432 3.784 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C(=O)O)cc2)cc1 201296837 NRQIKPMRZIPWHB-WDZFZDKYSA-N 266.296 3.589 30 20 CHED Cc1cccc([C@H](C)C(=O)N(CCC#N)CC(C)(C)C)c1 151953829 SEKQGYIVIBDNDC-HNNXBMFYSA-N 286.419 3.887 30 20 CHED C=C(Br)CNc1nc2ccccc2cc1C 157517775 VYHDANWYAQEVDB-UHFFFAOYSA-N 277.165 3.864 30 20 CHED C=CCN[C@H](C)c1sc(-c2ccccc2)nc1C 159807633 UTRBHKNUXUZEGV-LLVKDONJSA-N 258.390 3.955 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)N[C@H](C)CC#N)ccc21 159125995 QXEQSBFJAJRYEM-CYBMUJFWSA-N 298.390 3.721 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1sc(C)c(C)c1C#N 135334900 IKFCYLGYXRJOEC-UHFFFAOYSA-N 288.347 3.936 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccc(F)c(Cl)c1)CC2 1193013344 XORHVGMFGBQBJA-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@H](C)C1CC1 138316255 NTUNHNOFLUYXJV-AWEZNQCLSA-N 257.377 3.637 30 20 CHED CCc1sc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1C 176598982 BXTOQSPTLSKWFU-ZDUSSCGKSA-N 290.432 3.821 30 20 CHED C[C@@H](Nc1ccc(F)c(C#N)c1)c1cccc(C#N)c1 51636075 QZYOVWIFWYLNED-LLVKDONJSA-N 265.291 3.742 30 20 CHED CSC[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl 400250134 USBZIEGTDUJORM-ZDUSSCGKSA-N 280.824 3.539 30 20 CHED CCC(C)(C)NCc1cc(C#N)ccc1Br 309984617 XTPZJRVREKNALB-UHFFFAOYSA-N 281.197 3.599 30 20 CHED C[C@H](Nc1cccc(CC#N)c1)c1cccc(C#N)c1 313413439 VROZMLQIRKWHKR-ZDUSSCGKSA-N 261.328 3.797 30 20 CHED Cc1ccc(CNc2ncc(C#N)cc2Cl)cc1 339236796 LZHKQJFCYHZQON-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CCCCSCC(=O)Nc1ccc(Cl)c(C#N)c1 701225331 BRIADSNKUBNQIP-UHFFFAOYSA-N 282.796 3.683 30 20 CHED CCC1(CC)CCCN(c2cc(C)ncc2C#N)C1 690350502 JIUJUELMWPDQMT-UHFFFAOYSA-N 257.381 3.668 30 20 CHED C=CCSc1nnc(-c2cccc(Br)c2)o1 6614088 HRWKLJPYKLFLFN-UHFFFAOYSA-N 297.177 3.777 30 20 CHED Cn1c(SCc2cc(C#N)ccc2F)nc2ccccc21 10245004 KWFMJMYMOSTXRE-UHFFFAOYSA-N 297.358 3.876 30 20 CHED N#Cc1ccc(CNc2nc(Cl)nc3ccccc23)cc1 52811907 AUENZERLGGSTNN-UHFFFAOYSA-N 294.745 3.767 30 20 CHED O=C(/C=C/c1cccc(OC2CCCC2)c1)c1cnccn1 115962625 OPSLFRYIXIIAIL-CMDGGOBGSA-N 294.354 3.694 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 171319230 SFFMOBSPVIGUNB-ZIAGYGMSSA-N 299.418 3.667 30 20 CHED CCC/C(N)=N/OCc1ncc(-c2ccc(Cl)cc2)o1 105605125 VCQWNXGPXPJREZ-UHFFFAOYSA-N 293.754 3.584 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)CCCCC#N 102397592 SMEUQBAZOCJXFM-NSHDSACASA-N 252.308 3.651 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3ccccc3o2)c1 103033218 NDYANQFRONXQDB-UHFFFAOYSA-N 275.307 3.691 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 175709016 BJDWXHKPGOMYMZ-KRWDZBQOSA-N 286.419 3.772 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C2CCCCC2)oc2ccccc12 176641740 LWVSXLBKSSILLO-HNNXBMFYSA-N 296.370 3.944 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cccc(O)c1 24717879 GDIITCLGSYTERE-VQHVLOKHSA-N 268.312 3.605 30 20 CHED Cc1cccc([C@@H](C)NC(=O)C2(C#N)CCCC2)c1C 115288143 MJNFVZHELBAWAM-CQSZACIVSA-N 270.376 3.565 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cnn(C(C)C)c1 179438328 VZCLYYADIVMDPM-UHFFFAOYSA-N 299.418 3.661 30 20 CHED CC[C@H](Nc1ccc(C#N)c(Br)c1)C1CC1 304352212 KWWZBAWMFRMVRW-ZDUSSCGKSA-N 279.181 3.921 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccccc2F)c1 302024599 JUZZUDFGAAFKBU-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1C 111682008 SSKIJLXDNHRKRO-CLFYSBASSA-N 252.313 3.905 30 20 CHED C[C@H]1Cc2ccccc2N1CCNc1ccc(C#N)cc1F 303104407 IVCNMMAHIQHCPS-ZDUSSCGKSA-N 295.361 3.560 30 20 CHED CCCCCCCCN1CCC[C@H](C)[C@H]1C(=O)O 300274443 SSLBMYNRNSKKQK-KBPBESRZSA-N 255.402 3.532 30 20 CHED CC(C)N(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 178795574 MHHMADHCFFKYHO-INIZCTEOSA-N 285.391 3.614 30 20 CHED N#Cc1ccc(NCCc2csc3ccccc23)nc1 301064547 FNTDKJGLCWWDCV-UHFFFAOYSA-N 279.368 3.823 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)cc1 177888627 PUGGUKQTNDZTGP-QGZVFWFLSA-N 293.370 3.562 30 20 CHED CCN(C(=O)CCc1cccc(C)c1)c1ccc(C#N)cc1 174078395 ZCGMAOZQWZCSBJ-UHFFFAOYSA-N 292.382 3.852 30 20 CHED CCCCN(C(=O)c1ccc(C#N)[nH]1)[C@H](C)c1ccccc1 119104801 HIKUACLZVOXYIK-CQSZACIVSA-N 295.386 3.890 30 20 CHED C=CCC[C@@H](C(=O)NCCCC(F)F)c1ccccc1 1345196390 TYOOEFHQGVVQQW-CQSZACIVSA-N 281.346 3.898 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 124154604 VPLOJNUDRLAPFK-UHFFFAOYSA-N 286.375 3.660 30 20 CHED C#CCCCOC(=O)c1sc(-c2cccs2)nc1C 170714421 YPTGKQFVYVRRHB-UHFFFAOYSA-N 291.397 3.750 30 20 CHED C#CCCCNC(=O)Nc1cccc(SC(F)F)c1 176014011 KEBYGLHIWAIFDJ-UHFFFAOYSA-N 284.331 3.536 30 20 CHED C=CC[C@H](C(=O)NCc1cccc(C#N)c1)c1ccccc1 186499505 JNAUNPXBADMESK-SFHVURJKSA-N 290.366 3.534 30 20 CHED C=CCN(CCOCC(F)F)Cc1ccc(Cl)s1 188581962 NYPHVUMYMAFDFM-UHFFFAOYSA-N 295.782 3.671 30 20 CHED CC#CCCCC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 185579422 APQSRJSQMMEMHJ-RDJZCZTQSA-N 269.388 3.585 30 20 CHED C[C@H](S[C@@H](C)c1cnccn1)c1ccc(C#N)cc1 185561301 REOUMZXOQIXWFS-RYUDHWBXSA-N 269.373 3.904 30 20 CHED C=C(CC)CN1CCC(c2c[nH]c3ncccc23)CC1 358608909 BHSYJBKOMMQCDN-UHFFFAOYSA-N 269.392 3.709 30 20 CHED N#CCC[C@@H](NC[C@H]1CC=CCC1)c1ccccc1 125779196 APSJQLKJNGYZAI-DOTOQJQBSA-N 254.377 3.977 30 20 CHED CC(C)c1cccc2c1N(C(=O)CCCC#N)CCC2 411085439 XURSPMUGYGOALH-UHFFFAOYSA-N 270.376 3.783 30 20 CHED C=CCCCC(=O)N1CCC[C@@]1(C)Cc1ccccc1 184026546 RNTHNPNECUSYNM-SFHVURJKSA-N 271.404 3.967 30 20 CHED N#CC1(C(=O)Oc2cc(Cl)ccc2Cl)CCCC1 70809190 NMJWRPBQDYJFGQ-UHFFFAOYSA-N 284.142 3.983 30 20 CHED CCCCOc1ccc(CNC[C@@H](C)C#N)cc1OCC 183840028 JQWFOUJCQIUKQO-AWEZNQCLSA-N 290.407 3.513 30 20 CHED N#Cc1ccc(NC[C@@H]2C[C@H]3CC[C@H]2O3)cc1C(F)(F)F 314517481 OFLCZRPEUHXIBG-ZKYQVNSYSA-N 296.292 3.556 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F 182722723 PEMIMPSNLMGSSG-BQYQJAHWSA-N 289.237 3.769 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SC1CCCCC1 124958586 QFKMRXKOHODPFA-CYBMUJFWSA-N 267.438 3.641 30 20 CHED CCCCCSCC(=O)Nc1ccc(CC#N)cc1 180722819 URJSUPSCOHRFQP-UHFFFAOYSA-N 276.405 3.615 30 20 CHED Cc1ccc(Cl)c(OC(=O)c2sccc2C#N)c1 127988611 DDGKAEZOMNJMLA-UHFFFAOYSA-N 277.732 3.801 30 20 CHED COc1ccc(OC(C)C)c(N[C@H]2CCC[C@@H](C#N)C2)c1 185746552 LFPHQDPICZWHFG-KGLIPLIRSA-N 288.391 3.977 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cccc(C(F)(F)F)c2)C1 185757264 QCMWYVBHDXIUOQ-SMDDNHRTSA-N 282.309 3.877 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](CC)CC(F)(F)F 412629547 DRMBYWPGTKKDGI-LLVKDONJSA-N 277.330 3.850 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N(CC#N)C1CCCC1 78209015 JFRMZAMLOHHNQQ-CQSZACIVSA-N 276.424 3.888 30 20 CHED C=C(C)CCc1noc(C[C@@H](C)c2ccc(OC)cc2)n1 508680126 OLDPNVBEGNSPPB-CYBMUJFWSA-N 286.375 3.933 30 20 CHED CN(CCCCc1ccccc1)C(=O)c1ccc(C#N)cc1 46631986 CKSJNTPLSQFPKP-UHFFFAOYSA-N 292.382 3.653 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)[C@@H]1C 416925342 SKRMHSFBKUKVOI-GMTAPVOTSA-N 291.782 3.720 30 20 CHED C=C(Br)CN[C@@H](CCCC)C1CCC1 379532696 JRFJMVUEZGKULP-LBPRGKRZSA-N 260.219 3.844 30 20 CHED C=CCCC(=O)CSc1nc(C)c(C)n1CC(C)C 134676145 TVPWBWBWTNNJGK-UHFFFAOYSA-N 280.437 3.783 30 20 CHED O=C(/C=C/c1ccccc1)c1c(Cl)nc2sccn12 132808686 ZCVZKJXKKJJCIQ-VOTSOKGWSA-N 288.759 3.945 30 20 CHED CCN(Cc1ccccc1Cl)C(=O)c1ccc(C#N)cc1 45396396 PQAPQKIXWSXKNP-UHFFFAOYSA-N 298.773 3.874 30 20 CHED C=C[C@H](CC(=O)[C@H](C#N)c1ccccn1)c1ccccc1 136535406 QRDRZXAJZMMYKN-GDBMZVCRSA-N 276.339 3.618 30 20 CHED CC1(C)CC[C@H](Sc2ccc(C#N)cc2F)C1=O 412990639 GMOYEHUGQBUZCO-LBPRGKRZSA-N 263.337 3.547 30 20 CHED C=CCn1c(SC/C=C/Cl)nnc1-c1ccoc1C 49584061 HNGUEHDVLNGFPC-GQCTYLIASA-N 295.795 3.877 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2ccc(CC#N)cc2)C1 131062251 FLVZPWRIRFQXKC-ZFWWWQNUSA-N 270.376 3.908 30 20 CHED COc1ccc(Br)c(CSCCC#N)c1 413016900 XMPVVONTPBECOM-UHFFFAOYSA-N 286.194 3.605 30 20 CHED COc1cccc(/C=N/[C@@H]2CCCOc3ccccc32)c1O 130379296 ICDRJNKQKKNLKR-IYSPOMMRSA-N 297.354 3.734 30 20 CHED CC1=C(/C(O)=N/C[C@H](C)c2c(C)noc2C)CCC1 328643002 FDIRRMRQCVZDGR-JTQLQIEISA-N 262.353 3.852 30 20 CHED C=CCN(CC=C)C(=O)C1(c2ccc(Cl)cc2)CC1 193986202 NELOTEBHULVJBM-UHFFFAOYSA-N 275.779 3.572 30 20 CHED CC1(C)CCC[C@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)C1 329650462 KNFSFOIUEUMYSJ-RYUDHWBXSA-N 266.385 3.811 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1 48417660 DXCLBDLMANXHNN-SOFGYWHQSA-N 269.250 3.733 30 20 CHED Cc1c(N=C(O)[C@@H]2CCC(O)=NC2)sc2c1CCCC2 329689913 CUMDHXBTDRKANB-SNVBAGLBSA-N 292.404 3.890 30 20 CHED Cc1cc(C(=O)N(C)Cc2cccc(C#N)c2)cc(C)c1F 135128556 XCRQKXANAKMRLU-UHFFFAOYSA-N 296.345 3.586 30 20 CHED N#Cc1ccc(CNCCc2ccc(Cl)s2)s1 176949360 ZICUOHVHMNMCDT-UHFFFAOYSA-N 282.821 3.667 30 20 CHED CC(=O)Nc1cc(NCC#Cc2ccc(F)cc2)ccc1C 135557852 XYVQRGZFOWRRJK-UHFFFAOYSA-N 296.345 3.556 30 20 CHED Cc1cc2cc(NCCCC(C)(C)C#N)ccc2n(C)c1=O 427838636 BYQRIYJFDVFSFO-UHFFFAOYSA-N 297.402 3.589 30 20 CHED Cc1cc(C(=O)N(CC#N)c2ccccc2)sc1C 195124237 SLDJEXWDRLKPGZ-UHFFFAOYSA-N 270.357 3.535 30 20 CHED Cc1cccc2c1CN(Cc1ccc(C#N)cc1F)CC2 429579793 MQFOZVWZOPGDAB-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CC[C@H](CC(=O)N[C@H]1CCC[C@H]1C#N)c1ccc(C)cc1 331086625 DHVUVICFTRYTQB-PVAVHDDUSA-N 284.403 3.687 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(NC)ccc1Cl 425281172 ZAHMJXZZBBAFFG-LBPRGKRZSA-N 278.783 3.562 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 337938771 WHLBTNBTPJCMDB-KWOWKCNFSA-N 294.398 3.517 30 20 CHED O=C1CCC(/C(O)=N/[C@@H]2CCOC3(CCCCC3)C2)CC1 330219918 KMYBYISTAGYSTQ-CQSZACIVSA-N 293.407 3.584 30 20 CHED N#Cc1ccc(CN(c2nc3ccccc3o2)C2CC2)cc1 194951722 ZXUQOTIHGRNHQW-UHFFFAOYSA-N 289.338 3.868 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(CN(C)C)c1 512296258 XCYIWDXKXHEAAV-UHFFFAOYSA-N 294.826 3.942 30 20 CHED C=CCSCCNC(=O)Nc1ccc(Cl)cc1C 194595810 FEBZVNFLXWEBPX-UHFFFAOYSA-N 284.812 3.689 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(C3CCC3)cc2)C1 339363378 SXISGRAAAJOWHL-WMLDXEAASA-N 254.377 3.736 30 20 CHED C[C@H](SCc1nc(C2CC2)n[nH]1)c1ccc(C#N)cc1 193661238 JEYBMEQCEJXSQM-JTQLQIEISA-N 284.388 3.548 30 20 CHED CC(C)(C#N)CCN1CCN(Cc2ccccc2)C(C)(C)C1 383122354 ZMDGTYJOYHAJGG-UHFFFAOYSA-N 299.462 3.523 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)c1nccc(C)c1C#N 515474664 YUOJUJNDTWCHHF-INIZCTEOSA-N 295.386 3.858 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cccc(Cl)n1 92367760 LTIIWPMGJUZNGS-UHFFFAOYSA-N 272.735 3.803 30 20 CHED N#Cc1cc(Nc2cccc(-c3cccs3)c2)ncn1 516841275 CJMMIFRPNCCKOC-UHFFFAOYSA-N 278.340 3.820 30 20 CHED CC(C)SCCN(C)[C@@H](C)c1cccc(C#N)c1 425530922 GHFUJRRXHVMOIN-ZDUSSCGKSA-N 262.422 3.693 30 20 CHED Cc1cc(CNc2nc(C)c(C#N)cc2Cl)cc(C)n1 420657529 WTGNTDTUQVDCIQ-UHFFFAOYSA-N 286.766 3.539 30 20 CHED C[C@@H]1CCC[C@H]1CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425522780 BMIFQPXGAABUQS-CPUCHLNUSA-N 299.418 3.697 30 20 CHED COc1ccc(-c2ccccc2)cc1CNCC1(C#N)CC1 517821117 AQRJLZFMLIVFFI-UHFFFAOYSA-N 292.382 3.756 30 20 CHED C=C(C)C(C)(C)c1nc([C@@H](OC)c2ccc(F)cc2)no1 424345900 GSNWLGADUZNDCQ-ZDUSSCGKSA-N 290.338 3.798 30 20 CHED CCc1nnc(N[C@H]2CCCC(C)(C)C2)c(C#N)c1CC 149826519 OIUIIWNUHKAPIB-LBPRGKRZSA-N 286.423 3.854 30 20 CHED CC(C)(C)/N=C(/O)c1ccc(OC2CCCC2)nc1 330782712 HFXAHTIEWWZGBI-UHFFFAOYSA-N 262.353 3.506 30 20 CHED N#CCCN(Cc1cc2c(F)cccc2[nH]1)Cc1ccco1 437590834 NFJDCZXPHYEGAV-UHFFFAOYSA-N 297.333 3.816 30 20 CHED CN(Cc1ccccc1F)Cc1cn2ccccc2c1C#N 141213870 UIZWVCVDMNHAFB-UHFFFAOYSA-N 293.345 3.582 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@H]2C#N)c1 331469849 CLQHYIKJJPSXOJ-BBWFWOEESA-N 297.402 3.534 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1Oc1ccncc1 337799186 GXZSRSCFTDWDTB-UHFFFAOYSA-N 282.343 3.522 30 20 CHED C=CC(C)(C)CNCc1ccc2nc(C)ccc2c1 384857103 NDOSBKUDSCLFMU-UHFFFAOYSA-N 254.377 3.845 30 20 CHED N#CCC[C@H](C#N)CN1CC=C(c2ccccc2Cl)CC1 91841978 FXWUBZKWFLWHLJ-CQSZACIVSA-N 299.805 3.873 30 20 CHED N#Cc1cccc(C#N)c1NC1CCC(C(F)(F)F)CC1 436272879 ITCVNATWCSGEFP-UHFFFAOYSA-N 293.292 3.963 30 20 CHED CCCCCCCC(=O)N1CCO[C@H](c2ccccc2)C1 248256030 KTDGCCUPOXCYLW-KRWDZBQOSA-N 289.419 3.947 30 20 CHED CCC(CC)[C@@H]1C[C@H](N[C@H]2CCC[C@@H](C#N)C2)CCO1 249049778 XEEIUIMHMQREEA-XBVQOTNRSA-N 278.440 3.642 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1CC1(C#N)CC1 439324300 RWLWQDOVCGSBKU-ZBFHGGJFSA-N 254.377 3.558 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 248021686 UXELKOKIAPYIIQ-BZSNNMDCSA-N 296.414 3.731 30 20 CHED C[C@@H](O)CN(CC#Cc1cccc(Cl)c1)c1ccccc1 438066774 MLMIKRUEUCBZMB-OAHLLOKOSA-N 299.801 3.579 30 20 CHED Cc1ccc(CSCCNc2cc(C#N)ccn2)cc1 341354004 DIUIHSODAAXKBD-UHFFFAOYSA-N 283.400 3.607 30 20 CHED C[C@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C 245794264 WQIOBLGWHILZSA-JKSUJKDBSA-N 285.435 3.514 30 20 CHED N#Cc1c(Cl)cccc1N1CCC([C@@H]2CCCO2)CC1 295077959 QXCMFYRPXDEDML-INIZCTEOSA-N 290.794 3.607 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1cc(C#N)c[nH]1)C(C)(C)C 430882031 GXZWUISIMPAMLP-INIZCTEOSA-N 295.386 3.712 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 248824442 JWHGNGFTOGNRMH-QAETUUGQSA-N 273.420 3.607 30 20 CHED N#Cc1cc(F)cc(NCc2cc(F)cc3cccnc23)c1 600859021 ZLSCZUFCXTVXDT-UHFFFAOYSA-N 295.292 3.997 30 20 CHED Cc1cc(CNC[C@H](C)CCC#N)ccc1Br 602687744 AUKUYIKVYCYZGK-LLVKDONJSA-N 295.224 3.787 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(-c2ccc[nH]2)cc1 345108055 AEKXQNVSMNEQQJ-LBPRGKRZSA-N 269.348 3.768 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cccc(Oc2ccccc2)c1 349361366 BMOCOERTEARHMJ-CQSZACIVSA-N 294.354 3.853 30 20 CHED CC[C@H](CNC[C@@H](C)CCC#N)Oc1cccc(F)c1 602561122 CWMSYKBJNRTZGF-DZGCQCFKSA-N 278.371 3.513 30 20 CHED C=CCCCSc1nc2ccccc2c(=O)n1CC=C 605075972 AWCGVFCVBXYCOE-UHFFFAOYSA-N 286.400 3.641 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(C)C)cc1O 436742918 WHNXXFOXVPXIOH-UHFFFAOYSA-N 261.365 3.554 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1/CCc2c(O)cccc2C1=O 255028540 MHNXXBPGACQAEP-LUAWRHEFSA-N 296.370 3.625 30 20 CHED N#C[C@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C1CC1 601076012 XLLJVEJWAKFSJL-NSHDSACASA-N 297.305 3.976 30 20 CHED C=CCCCSCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 609804967 FVRFBIWAKDGIIW-MELADBBJSA-N 269.454 3.627 30 20 CHED CCCN(C(=O)[C@@H](C)SC)c1cc(Cl)ccc1C#N 609285536 ARYQTZQEAUDWTI-SNVBAGLBSA-N 296.823 3.706 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 520262605 NJGBSTYUIJSCLF-QFYYESIMSA-N 288.322 3.689 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1CCC(C)C 604898315 PWSXDCQMSRVCRP-SOUVJXGZSA-N 266.429 3.855 30 20 CHED Cc1cc(F)cc2c(N(C)Cc3ccco3)c(C#N)cnc12 359693086 MWGMUEYBZDDSOV-UHFFFAOYSA-N 295.317 3.783 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(OC)c(C(C)C)c(OC)c1 358199916 SFTHNMXJMBNWSI-LBPRGKRZSA-N 291.391 3.522 30 20 CHED CC(C)(C)OC(=O)CCSCc1ccc(CC#N)cc1 440587917 KIGHZFVAECPBBK-UHFFFAOYSA-N 291.416 3.718 30 20 CHED C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(CC(C)(C)CCC#N)C1 352296502 FEQIWWMSYRVKFV-ZACQAIPSSA-N 291.483 3.654 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 604880547 XOENGHIVQXEKAF-UONOGXRCSA-N 289.419 3.832 30 20 CHED Cc1ccc(OCCCNCc2ccc(C#N)cc2F)cc1 533311669 VXCPWVNAYFVGBO-UHFFFAOYSA-N 298.361 3.565 30 20 CHED C[C@@H](NCC1Cc2ccccc2C1)c1cccc(C#N)c1 538406580 KZVBQRMKTGFSIO-CQSZACIVSA-N 276.383 3.624 30 20 CHED CC(C)CN(C(=O)[C@H]1CC[C@H](C)C1)c1ccc(C#N)cc1 538463646 BOBHLCWWPVHKOY-HOCLYGCPSA-N 284.403 3.983 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(OCC)c1 538333469 DXWDCHWMQJVRIF-ZDUSSCGKSA-N 261.365 3.560 30 20 CHED C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)c2ccccc2S1 356312442 CPRBMBDSYIQKLU-CYBMUJFWSA-N 297.427 3.788 30 20 CHED CCN(Cc1cc(Cl)cc2cccnc12)C[C@@H](C)C#N 352091318 JDRBKUAHTTUWNO-LBPRGKRZSA-N 287.794 3.870 30 20 CHED C=CCCC1(C(=O)N(C)CCCOc2ccccc2)CC1 354384571 JPXCLEGBFCMENE-UHFFFAOYSA-N 287.403 3.660 30 20 CHED Cc1csc2nc(/C=C\c3ccc(C#N)cc3)nc(O)c12 358862987 PUGQJIYCFPHGTL-SREVYHEPSA-N 293.351 3.747 30 20 CHED C=CCCNC(=O)c1sc(C2CCCCC2)nc1C 617617160 YKOOPWAHGYGQRL-UHFFFAOYSA-N 278.421 3.805 30 20 CHED CC(C)(CCN[C@H]1CC[C@H](C#N)C1)c1ccccc1 619672491 ZFXRKRDLHKCLAN-HOCLYGCPSA-N 256.393 3.636 30 20 CHED CC1CCC(CC(=O)N(CCC#N)Cc2ccco2)CC1 359932738 OXZKTYNMOBJKCV-UHFFFAOYSA-N 288.391 3.738 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@H]2OC)cc1Cl 449518468 ABHZNBMCOOZHRC-GDBMZVCRSA-N 295.810 3.562 30 20 CHED C=CCC1(C(=O)N2CCC(OCCCC)CC2)CCC1 359412010 SRQKYOAOXZGFCN-UHFFFAOYSA-N 279.424 3.541 30 20 CHED C=C(C)CN(CC)Cc1cc2ccccc2nc1OC 535775547 ONMJFCNMMKIUMG-UHFFFAOYSA-N 270.376 3.641 30 20 CHED CCN(CC)CCC[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 353415621 VZXCHWAIPDPPGA-BEFAXECRSA-N 299.462 3.646 30 20 CHED CC[C@H](O)CCCNc1cc(C#N)ccc1C(F)(F)F 357501194 HYZRZDVHKJVKLU-NSHDSACASA-N 286.297 3.540 30 20 CHED C=CCCCCCN(C)C(=O)c1cc2ccccn2c1 531298642 WXSMLKSRQFBVMS-UHFFFAOYSA-N 270.376 3.758 30 20 CHED C=CC[C@H](C)NC(=O)c1cnn(C(CC)CC)c1CC 358769614 WFDFGVFJSVLVOI-LBPRGKRZSA-N 277.412 3.501 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](CC(C)C)c1ccccc1 359370523 BWDGYLPXIZSVHV-KRWDZBQOSA-N 284.403 3.745 30 20 CHED C=C(C)CN(C)C(=O)c1coc2ccc(CC)cc12 354741692 DCQAVNVPJOLHJP-UHFFFAOYSA-N 257.333 3.643 30 20 CHED CC(C)N(CCC#N)C(=O)c1cccc(-c2ccoc2)c1 535564470 BDWWCUDLMMRLEC-UHFFFAOYSA-N 282.343 3.711 30 20 CHED C=CC(C)(C)CNC(=O)NCC(C)(C)c1cccs1 454509505 ZZAYGASFPJKMNU-UHFFFAOYSA-N 280.437 3.537 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(CC#N)c1 452413590 DUZSTXHZTPGRNM-RDJZCZTQSA-N 284.403 3.699 30 20 CHED C[C@@H](OCCCNc1ncccc1C#N)c1ccccc1 266418611 FCFPSXJHWABVJR-CQSZACIVSA-N 281.359 3.533 30 20 CHED CC[C@@H](C)CCCCC(=O)N[C@@H](C#N)CC(C)C 612052322 JFFQSIPDEHQONH-ZIAGYGMSSA-N 252.402 3.647 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCC[C@@H]1CCOC1 453364171 LROOFXWKDIZTOB-BEFAXECRSA-N 298.430 3.732 30 20 CHED N#Cc1cccnc1N[C@H](c1ccccc1)c1cccnc1 360221761 GZIGBUGQQXJETJ-QGZVFWFLSA-N 286.338 3.550 30 20 CHED C[C@H](NC1Cc2ccccc2C1)c1ccc(C#N)c(F)c1 273877852 QFSPQNDOTQJIMD-LBPRGKRZSA-N 280.346 3.515 30 20 CHED Cn1c([C@H]2CCCN2CCC(C)(C)C#N)nc2ccccc21 272062823 XEXJCSVDELPZCI-MRXNPFEDSA-N 296.418 3.650 30 20 CHED C=CCCCN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273420734 JQKOLJLCBHYDQU-DLBZAZTESA-N 277.383 3.944 30 20 CHED C[C@@H](C(=O)NCC1CCCCCC1)c1cccc(C#N)c1 452797958 WGUULTKJQOBNSJ-CQSZACIVSA-N 284.403 3.748 30 20 CHED CCOc1ccccc1[C@H](CC)NC(=O)CC(C)(C)C#N 278741077 OSXUCNQSFKTWLU-AWEZNQCLSA-N 288.391 3.592 30 20 CHED N#Cc1cccc(-c2nc(CCCc3ccsc3)no2)c1 547219972 MUNLYTIFPRBZKU-UHFFFAOYSA-N 295.367 3.845 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](CC)Cc1ccccc1 548769824 BBMMRVSKHNGWID-MRXNPFEDSA-N 273.420 3.974 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc2[nH]c(C)cc2c1 454739474 WBFJRESMENYNEK-UHFFFAOYSA-N 271.364 3.810 30 20 CHED C[C@H](CCCc1cccnc1)NCc1ccc(F)c(C#N)c1 459648738 VDJGJAXQOXTNOL-CQSZACIVSA-N 297.377 3.593 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@H](C)C1 362397923 TZWTZDGSQIBMSO-ZDUSSCGKSA-N 275.417 3.837 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(CSCC)cc1 455867650 VGYWERVTSDHBNL-UHFFFAOYSA-N 278.421 3.980 30 20 CHED CC(C)(Cc1ccccc1)c1noc(C2(C#N)CCC2)n1 278113484 FKZHAKICEGGGOI-UHFFFAOYSA-N 281.359 3.535 30 20 CHED C=CCSCCNC(=O)N(CCCCC)C(C)C 540960224 OWODJRMUYJMIAE-UHFFFAOYSA-N 272.458 3.516 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccccc1OC(C)C 546644004 BNBYOPKODODZSF-HNNXBMFYSA-N 287.403 3.845 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 540526971 ZHNWSGMKPSZBBO-VXGBXAGGSA-N 297.345 3.593 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccccc1OC(F)F 622980507 FEDAZRXCEBFPNA-UHFFFAOYSA-N 283.318 3.763 30 20 CHED C=C(Cl)CN[C@@H]1CCC[C@@H](c2ncccc2C)C1 281567972 KHRCXAHRSMKXAS-ZIAGYGMSSA-N 264.800 3.758 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H]1CC(C)(C)Oc2ccccc21 285814472 QWUISBNFEGQKHL-WMLDXEAASA-N 287.359 3.772 30 20 CHED CC[C@H](C)C[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 556886815 PCNJBMGFTBDIKX-HOTGVXAUSA-N 299.462 3.941 30 20 CHED C=C(C)Cn1c(N2C[C@H](C)C[C@@H]2CC)nnc1C(C)(C)C 460574910 NSTJWSWHDZMJGF-KGLIPLIRSA-N 290.455 3.777 30 20 CHED C=CCCC(C)(C)N[C@@H](c1nc[nH]n1)C1CCCCC1 639335581 UQYARABDPOEDLG-CQSZACIVSA-N 276.428 3.761 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccccc1SC 282431794 YUKRFKFBCFDRCJ-LBPRGKRZSA-N 278.421 3.687 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)c1cc(C)cc(C)c1 280638164 UQYUYPXFRVBITK-UHFFFAOYSA-N 282.343 3.743 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(O[C@H](C)CC)c1 465156482 MDAZRXQBUUXYKF-NWDGAFQWSA-N 262.353 3.560 30 20 CHED CC(C)O[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1(C)C 558508150 BZCSAHMUTNLVIA-KZNAEPCWSA-N 298.430 3.727 30 20 CHED CC#CCCCC(=O)Nc1c(C)cnc2c(OC)cccc12 284866021 KFXXUPTZVDPPPN-UHFFFAOYSA-N 296.370 3.684 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C)cc1OCCC 460018972 WKPCYPHYDFDHNQ-UHFFFAOYSA-N 261.365 3.935 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1cccs1 559846447 ZBPHMQJWQWQLAZ-UHFFFAOYSA-N 265.422 3.744 30 20 CHED CC(C)=CCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 479851303 XUTXGTZNGLFLNZ-UHFFFAOYSA-N 285.391 3.966 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 293476419 MTXCMCBGYYGCAS-CQSZACIVSA-N 291.366 3.758 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCCC2(F)F)c1 295010706 SWZCZFQIQUNSSA-AWEZNQCLSA-N 292.329 3.998 30 20 CHED CCCCC[C@H](NCCO[C@@H](C)C#N)c1ccccc1 801937862 XKNVBMVUIMEILA-RDJZCZTQSA-N 274.408 3.826 30 20 CHED C=CCCCCCCNC(=O)Cc1c(F)cccc1F 805218880 NLCRTXWITZIIOK-UHFFFAOYSA-N 281.346 3.760 30 20 CHED C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CCCC#N 291998883 WTXJYPGNWVAFAW-SNVBAGLBSA-N 299.201 3.734 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 474897460 SYKDGPAFHQRJTB-QNWHQSFQSA-N 299.867 3.668 30 20 CHED CN(CCCC(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 296161102 HHSPLUPJRFMEBP-OAHLLOKOSA-N 294.826 3.635 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)[C@H]1c1ccncc1 293890517 KJZWRVJSLQEMSA-KRWDZBQOSA-N 277.371 3.536 30 20 CHED COC(=O)c1c(F)cccc1NN=CC1CCCCC1 800817240 JMBCGZBQXSGFLL-UHFFFAOYSA-N 278.327 3.590 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)NCc1cc(C#N)ccc1F 476121835 OWCDJYSNXXGTQM-ZFWWWQNUSA-N 288.366 3.530 30 20 CHED N#Cc1ccc(F)c(CNc2ccc([C@H]3CCOC3)cc2)c1 297677361 LIULPLVHDCRKEU-HNNXBMFYSA-N 296.345 3.813 30 20 CHED C[C@H](C#N)OCCN[C@H](C)c1ccc(F)c2ccccc12 808768206 JKURJJQCOKKRML-CHWSQXEVSA-N 286.350 3.558 30 20 CHED COc1cc(CN2CCC(CC#N)CC2)cc2ccccc12 569543920 LISDXTDFJQGFKG-UHFFFAOYSA-N 294.398 3.974 30 20 CHED CON(CC(C)(C)C)C(=O)C[C@H](CC#N)c1ccccc1 804583465 IUYLTUCFUMZAMJ-HNNXBMFYSA-N 288.391 3.510 30 20 CHED C=CCC[C@H](O)CN(C)Cc1ccc2ccccc2c1 472774434 PUQSXJRPOQJRFW-SFHVURJKSA-N 269.388 3.599 30 20 CHED C#CC[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1 801530249 ZCNPDKZDYDXJTL-ROUUACIJSA-N 283.415 3.832 30 20 CHED C#C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(C)(C)C 807880452 JXIOFBGUUIVDDP-CQSZACIVSA-N 288.778 3.599 30 20 CHED CC(C)(O)c1ccc(C=NNc2c(F)cccc2F)cc1 807971588 AXKCFAQUSVHQBT-UHFFFAOYSA-N 290.313 3.638 30 20 CHED CCSc1ccc(C(C)=NN[C@@H]2CCSC2)cc1 807999051 WZGZTMDDJUZDQK-CYBMUJFWSA-N 280.462 3.618 30 20 CHED CCCC[C@H](CC)C(=O)N(CCC#N)Cc1ccco1 299268521 QMPFFKVJSMQTBI-AWEZNQCLSA-N 276.380 3.738 30 20 CHED C=C(C)[C@@H](NCCc1cscn1)c1ccc(F)c(F)c1 295708839 KARQQUGACFVZSE-OAHLLOKOSA-N 294.370 3.871 30 20 CHED Cc1cc(C)c(C#N)c(N2CCc3cc(Cl)ccc3C2)n1 477945565 DHUITZLTLVTEPA-UHFFFAOYSA-N 297.789 3.786 30 20 CHED C#CCC1(c2nc(CCCSCC)no2)CCCCC1 809485997 MPHTZRBMMSUTAX-UHFFFAOYSA-N 292.448 3.981 30 20 CHED C=CCN(C(=O)NCc1ccc(C(C)(F)F)cc1)C1CC1 297311861 LGPCWWXKEAVSSZ-UHFFFAOYSA-N 294.345 3.658 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(C(=O)O)c2)cc(C)c1O 806558360 APVXQKKDWUYHGA-SREVYHEPSA-N 296.322 3.603 30 20 CHED C=CCC[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ccco1 560544873 KAKHCJUMCHAETD-JKSUJKDBSA-N 283.371 3.880 30 20 CHED N#CCc1ccc(NCc2cccc3c2OCCCO3)cc1 298700089 JCIVSKQORKCDOT-UHFFFAOYSA-N 294.354 3.526 30 20 CHED C#C[C@H](CC)NCc1cc(Cl)cc(Cl)c1OC 809686537 XUORONXEEGBVAZ-LLVKDONJSA-N 272.175 3.503 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)c1ccc(Cl)cc1 649568667 KGDHXWIKVOQYMN-LBPRGKRZSA-N 265.784 3.868 30 20 CHED N#CCCCCCC(=O)Oc1ccc(OCC2CC2)cc1 805869483 SVQHEUSCKMOOPX-UHFFFAOYSA-N 287.359 3.855 30 20 CHED C[C@@H](CN1CCO[C@H](c2cccc(C#N)c2)C1)C(C)(C)C 802641880 JNDHKBOZYIZCFO-YOEHRIQHSA-N 286.419 3.614 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(OCCC)cc1 569308567 SVPQLRGUOASWRJ-WMZOPIPTSA-N 289.419 3.546 30 20 CHED C=CCN(CC=C)C(=O)c1cc2c(C)cc(C)nc2s1 641895168 BRSSXDXAADPQPR-UHFFFAOYSA-N 286.400 3.727 30 20 CHED C=CCn1cccc1C(=O)N(CC)Cc1ccccc1C 488383706 XOTVTNWWUMKIKS-UHFFFAOYSA-N 282.387 3.645 30 20 CHED CC[C@@H]1CCC[C@H](C=NNC[C@H]2CCSC2)C1 811662890 WRSCLLFFUDGGAH-HZSPNIEDSA-N 254.443 3.531 30 20 CHED C#Cc1ccccc1CC(=O)Oc1ccccc1SCC 810588754 TUPKTWPZGZKPCK-UHFFFAOYSA-N 296.391 3.928 30 20 CHED CC(C)c1cnc(C=NNc2cccc([N+](=O)[O-])c2)s1 814694367 HIAAKPZWZQVEPR-UHFFFAOYSA-N 290.348 3.621 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc(Cl)o2)c1 814813192 JXAIZJRGYFKWNF-UHFFFAOYSA-N 256.639 3.657 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccccc1)C(C)C 483973587 LOTIFFJZEUHUIS-OAHLLOKOSA-N 260.381 3.601 30 20 CHED COc1ccc(C)cc1/C=C1/Cc2ccc(C#N)cc2C1=O 811695551 IZQLKKFTZARRPM-YBEGLDIGSA-N 289.334 3.698 30 20 CHED CSc1ccc(C=NNc2ccc(Cl)nc2)s1 814859634 XYWBWZLQPBZGAA-UHFFFAOYSA-N 283.809 3.964 30 20 CHED C[C@H]1CN(c2nc3ccccc3cc2C#N)CCC1(F)F 811848477 GKUZLMMGAKASBR-NSHDSACASA-N 287.313 3.588 30 20 CHED C=CCC(F)(F)C(=O)Nc1csc(-c2ccccc2)n1 816656467 SOUYQDMILFSYDF-UHFFFAOYSA-N 294.326 3.960 30 20 CHED C=CCOCCCN[C@@H](C)c1cc2ccncc2s1 658207222 SQNPAGOFTYKHML-LBPRGKRZSA-N 276.405 3.540 30 20 CHED C=CCn1cccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 488703588 QHJXYUHANBSJGB-LBPRGKRZSA-N 299.399 3.744 30 20 CHED C=C(C)CN(C)C(=O)NCc1c(C)c(C)c(C)c(C)c1C 487887855 YIVNOYWMTORGLV-UHFFFAOYSA-N 288.435 3.946 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc3sccc3c2)no1 577976029 VHJGLQGTILHHAS-PSLIRLAXSA-N 281.340 3.752 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2c(C#N)cccc2[N+](=O)[O-])o1 571076023 IGMBRSRNPWABPH-ZWNOBZJWSA-N 297.314 3.795 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)Cc1ccc(C)cc1 489801512 OZNRFJFQJJUNRX-OAHLLOKOSA-N 273.420 3.892 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc(F)c2C#N)c1 488331132 ISDXHSPSJKCSKX-CYBMUJFWSA-N 296.345 3.805 30 20 CHED N#Cc1cccc(CCNc2c(Cl)cccc2C#N)c1 571077838 XUNQBEYBPJDRQS-UHFFFAOYSA-N 281.746 3.738 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(OC)c(O)c2)ccc1C 811698683 NCJYQZAKUALXSF-VURMDHGXSA-N 298.338 3.614 30 20 CHED Cc1nc(N2CCC(CC(C)C)CC2)ccc1C#N 813597524 IZBDRGGQTYRRRJ-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C=C[C@@H](CC(=O)OCC1(COC)CCC1)c1ccccc1 811061379 MMBIVYFBQADXFE-HNNXBMFYSA-N 288.387 3.706 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)Cc1cc(C#N)n(C)c1 483282445 FHNRSZQJGFNFFD-GOSISDBHSA-N 295.430 3.658 30 20 CHED C1CCCN([C@@H]2CCCCC2=NOCC2CC2)CC1 814244372 PYKHVZMPTFDGIZ-MRXNPFEDSA-N 264.413 3.588 30 20 CHED N#CCC[C@H](NC(=O)C1CC2(CCC2)C1)c1ccccc1 578444286 PQCPINLSOIYVME-INIZCTEOSA-N 282.387 3.728 30 20 CHED Cl/C=C/CON=C1CCCC[C@@H]1N1CCCCC1 811669344 OACYXBIJERDVHW-QWCLHEMDSA-N 270.804 3.540 30 20 CHED C#CCCCCNC(=O)C1(c2ccccc2C)CCCC1 813053735 OMPROEFPHYEFQI-UHFFFAOYSA-N 283.415 3.727 30 20 CHED C=C(C)CN(C)C(=O)NC(CC(C)C)CC(C)C 487010631 YPXUXJZTAQLWHC-UHFFFAOYSA-N 254.418 3.665 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H](F)C2)CCCCC1 578772208 PZXLXJJCXYHHIE-ZIAGYGMSSA-N 267.388 3.910 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 572184473 HXWBAIANITXBPN-RHSMWYFYSA-N 276.424 3.791 30 20 CHED CC(C)CCN(CCC#N)C(=O)C=C1CCCCC1 728871329 NISUBAISSYGBLG-UHFFFAOYSA-N 262.397 3.665 30 20 CHED C=CCCc1ccc(-c2nc3n(c2C(=O)O)CCCC3)cc1 575816073 KXHJKDLDMVXSOW-UHFFFAOYSA-N 296.370 3.703 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)CC#N)cc1Cl 574290878 VRZFPIQQQDBKFO-NSHDSACASA-N 280.799 3.939 30 20 CHED Cc1sc(NC(=O)C#CC(C)C)nc1-c1ccccc1 822638542 FBJJBAWQPDIGOM-UHFFFAOYSA-N 284.384 3.716 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CC23CCCC3)cc1 573660781 YHBVKQGEZBUMDX-HNNXBMFYSA-N 297.402 3.942 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCCCC[C@@H]1c1ccncc1 820636478 WIADLVRIEXYRAN-IAGOWNOFSA-N 299.418 3.510 30 20 CHED C=CCC1(NCC#Cc2ccc(F)cc2)CCCC1 661852098 JXXFBRIHTBCDBI-UHFFFAOYSA-N 257.352 3.656 30 20 CHED C[C@H](CC(=O)O)SCc1ccccc1C(C)(C)C#N 827385671 MZYIYOCUEJRSGG-LLVKDONJSA-N 277.389 3.584 30 20 CHED C=CCCNC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 665947708 WRJUQODCBOLFEC-IUODEOHRSA-N 288.391 3.653 30 20 CHED C#Cc1cccc(NC(=O)NC2(C)CCC(C)CC2)c1 729552083 BGZKXUKRBBTXEB-UHFFFAOYSA-N 270.376 3.758 30 20 CHED C=C[C@](C)(CCOC)c1nc(C2(CC)CCCC2)no1 581696882 GLQXSEYQTLZBAR-OAHLLOKOSA-N 278.396 3.772 30 20 CHED CCOc1ccc(C#N)cc1NCc1coc(C(C)(C)C)n1 901374754 DNXDWGXCLVRYNI-UHFFFAOYSA-N 299.374 3.855 30 20 CHED C=CCCC(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 588030193 CYPUHZBONFIKER-HNNXBMFYSA-N 286.419 3.966 30 20 CHED C=CCCCNC(=O)N(C)[C@H](C)c1c(F)cccc1F 583911823 AOFJOSJHCXDQTA-LLVKDONJSA-N 282.334 3.633 30 20 CHED CCC(Cc1cccs1)=NNc1cncc(Cl)n1 730947967 RHMFGZMCWZWBHJ-UHFFFAOYSA-N 280.784 3.612 30 20 CHED CC(C)(C)CCC(=O)OCc1ccc(C#N)cc1F 738799203 KIBMTRUBGOZOQO-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C#Cc1cccc(N(CC)C(=O)CO[C@@H]2CCC[C@H](C)C2)c1 732936289 JQZKPIXVZBBYPY-MAUKXSAKSA-N 299.414 3.616 30 20 CHED C=CCN(Cc1cccs1)Cc1ccnn1CCC 667484264 GHCBJYGQSSYEEA-UHFFFAOYSA-N 275.421 3.543 30 20 CHED CC(C)(C)NC(=S)NN=C1CCC[C@H]1c1ccccc1 732527856 LURPBFKBHFEQJT-ZDUSSCGKSA-N 289.448 3.573 30 20 CHED N#Cc1ccc(OCCOC(=O)/C=C\C2CCCCC2)cc1 735564922 YFIOIJZPRFYFOW-FLIBITNWSA-N 299.370 3.617 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCc3c(C)cccc32)cc1 733328654 YOXWOLDKCVCCEX-HXUWFJFHSA-N 291.394 3.784 30 20 CHED CC(C)n1c(=NCc2ccc(C#N)s2)[nH]c2ccccc21 582975879 QZJSKKRUOCGBAZ-UHFFFAOYSA-N 296.399 3.584 30 20 CHED CC(C)SCC(=O)Nc1cc2ccccc2cc1C#N 839434782 GXDIJIYEADEHLZ-UHFFFAOYSA-N 284.384 3.792 30 20 CHED N#CC1(CCCCOC(=O)C2SCCCS2)CCC1 909394539 NYKCZWSEXZXVQO-UHFFFAOYSA-N 299.461 3.590 30 20 CHED COc1nccc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)n1 834401326 WTAKRYHSXHQUTD-KTKRTIGZSA-N 296.370 3.679 30 20 CHED COc1ccccc1/C=C1\Cc2ccc(C)cc2C1=O 730949368 UQKAIEKEXWCLLY-RVDMUPIBSA-N 264.324 3.826 30 20 CHED C=CCCCCCN(C)Cc1ncc(C(C)C)o1 739929536 DIVMHFBPZWZCKG-UHFFFAOYSA-N 250.386 3.976 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1sc2c(c1C#N)CCC2 901264662 KDHRQLIYHXJGIJ-JTQLQIEISA-N 274.389 3.649 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)NCC(C)(C)CCC#N)C1(C)C 588177986 ZTZHLJPIIPOXRZ-UONOGXRCSA-N 276.424 3.671 30 20 CHED CCOCOc1cnccc1-c1cccc(C2(C#N)CC2)c1 904881581 IHTDQJNMLRLBPF-UHFFFAOYSA-N 294.354 3.677 30 20 CHED Cc1ccc(F)c(COC(=O)C2(C#N)CCCCC2)c1 835922373 ZPEDBEWWTBYOOT-UHFFFAOYSA-N 275.323 3.651 30 20 CHED C/C(=C/C(=O)N(O)Cc1ccc(F)cc1)C(C)(C)C 901372739 KUPUGJHPVJHBHT-LUAWRHEFSA-N 265.328 3.536 30 20 CHED C=CCCc1noc(-c2c(C)oc3ccc(OC)cc23)n1 834814694 OSDBVFZNBTZTLT-UHFFFAOYSA-N 284.315 3.918 30 20 CHED C=CC[S@](=O)[C@@H](C)c1ccc(OC(F)(F)F)cc1 905170560 ZYOXLXZZPFQOLV-YYSFKGJASA-N 278.295 3.581 30 20 CHED CCn1cncc1/C=C1/CCc2cc(SC)ccc2C1=O 901467699 UIRNDZAWPHJNGP-JYRVWZFOSA-N 298.411 3.837 30 20 CHED CC(CCCCC#N)=NNc1c(F)cc(F)cc1F 901321228 RLDHAZSBQCGGFW-UHFFFAOYSA-N 269.270 3.976 30 20 CHED CCCCCCCCNC(=O)N1CC[C@H](OC)C(C)(C)C1 836375417 ZBEIWQSIUNCATO-HNNXBMFYSA-N 298.471 3.803 30 20 CHED CC(C)C[C@H]1CCCN1Cc1ccc(OCC#N)cc1 731212885 VMHAYVKXAUAYKT-MRXNPFEDSA-N 272.392 3.599 30 20 CHED CCOc1ccc(C=NOCc2ncc(C(C)C)o2)cc1 733305162 WNGZUMIMJNEMAZ-UHFFFAOYSA-N 288.347 3.747 30 20 CHED C=C[C@H](CC)OC(=O)Cc1scnc1-c1ccccc1 835274698 WGCWAPBRZGZKAM-CYBMUJFWSA-N 287.384 3.860 30 20 CHED C=CC[C@@H](NC(=O)c1cccc(C)c1C)c1ccncc1 734237359 OIHOTMNHMDLHLB-QGZVFWFLSA-N 280.371 3.746 30 20 CHED N#Cc1ccc(C(=O)NC2(C(F)F)CCCC2)cc1Cl 589118291 WBJDNKUOAXLZCT-UHFFFAOYSA-N 298.720 3.519 30 20 CHED CC(C)CNN=Cc1ccc(-c2ccc(F)cc2)o1 916365769 JBUACTXLYKNBBE-UHFFFAOYSA-N 260.312 3.665 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H]1CCc2sc(Cl)cc21 835231338 MANFCNXREBWVBY-DVVUODLYSA-N 298.791 3.523 30 20 CHED Cc1cc(C)cc(NN=Cc2ccccc2[N+](=O)[O-])c1 916346716 QKZXNRSJKXEACK-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C#CCCCCCC(=O)Nc1ccc2oc(C(=O)O)cc2c1 833361715 IREVFHFFNRGODC-UHFFFAOYSA-N 299.326 3.653 30 20 CHED C#CCOc1ccc(-c2nc3ccccc3[nH]2)cc1OCC 916369192 XQUNLXUACWQNOY-UHFFFAOYSA-N 292.338 3.641 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H](C)C2CCCC2)cc1 671849578 BZFURRBKPRCEGF-CQSZACIVSA-N 287.403 3.694 30 20 CHED CC(C)Oc1ccccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839049424 JAYVEWKAOPNBCS-UONOGXRCSA-N 287.359 3.713 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccsc2)c1O 915980136 NTDOYNXDPQQKIH-NSIKDUERSA-N 296.735 3.634 30 20 CHED N#CCCCCN[C@H]1CCc2cc(F)c(Cl)cc21 599025998 GXXBVJNVFHSJPZ-AWEZNQCLSA-N 266.747 3.750 30 20 CHED CC(C)(C)C#CCOC(=O)c1cc2cccnc2s1 835390031 KEKQWBYZCLAFJJ-UHFFFAOYSA-N 273.357 3.503 30 20 CHED C=C(Cl)COC(=O)C[C@H](C)c1ccc(F)cc1 917994851 KGITULPKOMXJTH-VIFPVBQESA-N 256.704 3.615 30 20 CHED CCN(Cc1cc(Cl)ccc1OC(F)F)[C@H](C)C#N 595813349 SPIGQMGNECWIIT-SECBINFHSA-N 288.725 3.675 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)s1 915993174 LOIYDJNAZMKQIU-SOFGYWHQSA-N 297.379 3.837 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1ccco1 915050984 IQNANBKXKOQSKX-UHFFFAOYSA-N 269.226 3.530 30 20 CHED C[C@H](NCc1cccc2c1CCC2)c1ccc(C#N)cc1 593584477 GTJBIHPKYIYSIC-AWEZNQCLSA-N 276.383 3.898 30 20 CHED O=C1/C(=C/c2cc(F)c(F)c(F)c2)Oc2ccccc21 742436103 HJQCNDLRCKYQGX-QPEQYQDCSA-N 276.213 3.720 30 20 CHED CCCCC[C@@H](C)CC(=O)N(CCC#N)CC1CC1 742639250 WGNUUSDEFLBCNF-CQSZACIVSA-N 264.413 3.745 30 20 CHED CCC[C@@H](C#N)NC(=O)CCCc1ccc2c(c1)CCCC2 593108364 WGAYCLYNLXOPMZ-SFHVURJKSA-N 298.430 3.697 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 916249432 MVHHASQSAWQABQ-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CC(=NNc1cccc(C)c1)c1cc(C)ccc1O 916255225 KSOVCUMMZWILBT-UHFFFAOYSA-N 254.333 3.845 30 20 CHED C=C[C@@H](C)ON=C/C(C)=C\c1ccccc1COC 844625686 OOITWQYRFCKVQT-HRXAXHHGSA-N 259.349 3.813 30 20 CHED C=CCN(Cc1ccccc1)Cc1n[nH]c2ccccc12 678153890 IREMNHMVLUOSBX-UHFFFAOYSA-N 277.371 3.751 30 20 CHED CC(C)(C)[C@H]1CCCN1C(=O)CC1(C#N)CCCCC1 597153541 JTYGOGYMBQRJEZ-CQSZACIVSA-N 276.424 3.888 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 674934311 XBNAMEQRHPORJC-DOTOQJQBSA-N 286.419 3.534 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C 593657539 KSOKCUUCJSPHTM-AAEUAGOBSA-N 298.308 3.655 30 20 CHED C[C@H](c1ccccc1)N(C[C@@H](O)CC(C)(C)C#N)C1CC1 598594271 GETRHHNZXUTMLV-PBHICJAKSA-N 286.419 3.513 30 20 CHED C=C(CNC(=O)c1c(C)oc(C)c1C)c1ccccc1 673342694 VAVGMFFTHPOKHY-UHFFFAOYSA-N 269.344 3.648 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(CN2CCCCCC2)cc1 593426809 NSSYLQMGSPHNKL-MRXNPFEDSA-N 299.418 3.551 30 20 CHED Cc1cccc(CON=Cc2c(C)nc3sccn23)c1 742359709 LWZXVCSQLLEMHH-UHFFFAOYSA-N 285.372 3.563 30 20 CHED Clc1cccc([C@H]2CCC(=NNC3CCOCC3)C2)c1 841629352 MPAOVHOURDHQMX-ZDUSSCGKSA-N 292.810 3.732 30 20 CHED CCC[C@H](NCCc1ccc(C#N)cc1)C1CCC1 595056065 QEDQDINUXTYKQS-KRWDZBQOSA-N 256.393 3.659 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC)C1CCCCC1 682416818 XVHLALDMSBCOMS-AWEZNQCLSA-N 252.402 3.563 30 20 CHED C[C@@]1(Cc2ccccc2F)CCCN1c1ncccc1C#N 591973378 XRPQQRBQOPERPQ-SFHVURJKSA-N 295.361 3.694 30 20 CHED C=CCN(C(=S)Nc1ccc(C)cc1C)[C@@H](C)COC 849276345 ANQLCSQGHDXLDF-AWEZNQCLSA-N 292.448 3.523 30 20 CHED N#CC[C@@H]1CCCN(CCSc2ccc(F)cc2F)C1 595618355 XLWJJSCGPOAUAD-LBPRGKRZSA-N 296.386 3.683 30 20 CHED C=C(C)CNc1ccc(Cl)cc1C(=O)N1CCCC1 917820763 ZKCBPAMDZGLCNW-UHFFFAOYSA-N 278.783 3.564 30 20 CHED CCOC(=O)c1ccc(C=NNc2cccc(Cl)c2)o1 748245034 UZONHFWXCIXUQY-UHFFFAOYSA-N 292.722 3.556 30 20 CHED CC(C)CC[C@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593939131 BWHKQQFYDCXMPA-CABCVRRESA-N 286.419 3.678 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 596824481 XUSFUYOKPAWTLE-BPUTZDHNSA-N 276.424 3.601 30 20 CHED CCCCCC[C@@H](C)CC(=O)NCC1(C#N)CCC1 841468648 IUVFPOLSRBWJSA-CQSZACIVSA-N 264.413 3.793 30 20 CHED C#CCN(C(=O)c1cc(C)c(-c2ccccc2)s1)C1CC1 846966484 FBOHQFJJPHFDHW-UHFFFAOYSA-N 295.407 3.961 30 20 CHED C[C@H](SC[C@H](O)CC#N)c1cccc(C(F)(F)F)c1 594911342 MPLOCGPVOZLJGR-JOYOIKCWSA-N 289.322 3.774 30 20 CHED C[C@H]1CC[C@H](C(=O)N(CC#N)c2ccc(Cl)cc2)C1 592651906 IOSKUYHIPLVHGM-RYUDHWBXSA-N 276.767 3.633 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)C(C)(C)C 846876633 WBAGAFILCZUYNY-KBPBESRZSA-N 286.419 3.535 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](C)c1cc2ccccc2s1 845621337 FSBQVBPWLNCXFE-QWRGUYRKSA-N 290.388 3.768 30 20 CHED CC(=NOCc1cccnc1)c1ccc(C)c(C)c1 746588569 QDPNXVSDQVNZSU-UHFFFAOYSA-N 254.333 3.639 30 20 CHED COc1cc(CSCCO[C@@H](C)C#N)ccc1Cl 842182039 BASAUWKNDULMHU-JTQLQIEISA-N 285.796 3.510 30 20 CHED C[C@H](OC(=O)CCCc1ccccn1)c1cccc(C#N)c1 759307106 SQMMDJPVQZYSNQ-AWEZNQCLSA-N 294.354 3.580 30 20 CHED CC(=NNCC1CCCC1)c1ccc(C(F)F)nc1 853345917 NGADYANFZWIXKV-UHFFFAOYSA-N 267.323 3.523 30 20 CHED COc1cc(C)cc2c1OCCC2=NOCc1ccccc1 920376286 YANUBEWWWFCWLX-UHFFFAOYSA-N 297.354 3.707 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccc(C=NOC)cc1 759270505 YMIWZPRTOJISOL-UHFFFAOYSA-N 290.407 3.613 30 20 CHED C#CC[C@H](NC(=O)CC(CC)CC)c1ccccc1 757576468 DGTOBFRCQCABMW-INIZCTEOSA-N 257.377 3.694 30 20 CHED N#Cc1cc2ccccc2nc1NCCCOC1CCCC1 750025824 QAGOBIONTFJERW-UHFFFAOYSA-N 295.386 3.868 30 20 CHED CCCC[C@@](C)(F)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 857629923 FSCGXJOKIDKHTO-CXAGYDPISA-N 290.382 3.996 30 20 CHED C#CC[C@H](NCc1ccc(Cl)o1)c1ccccc1 756998285 UIIYZWBQROXYGM-AWEZNQCLSA-N 259.736 3.787 30 20 CHED CCCCCCCCCC(=O)N1CCOc2ccncc21 750137668 GGDSLOVMZOHQPA-UHFFFAOYSA-N 290.407 3.948 30 20 CHED CCc1cccc(C)c1NC(=O)c1ccc(C#N)c(Cl)n1 752976947 QGXBBLULEDGEAC-UHFFFAOYSA-N 299.761 3.730 30 20 CHED CCCCCCCCNC(=O)c1ccc(C#N)s1 754841196 HCQUMQJPCTZCOD-UHFFFAOYSA-N 264.394 3.710 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](CC1CCC1)c1ccccc1 753265370 RODTWNBRYGXUPU-SJORKVTESA-N 284.403 3.629 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 767258020 SBYMHJBBOFZDTG-BIMULSAOSA-N 296.197 3.577 30 20 CHED C[C@@H](CC(=O)OC[C@@H](C#N)Cc1ccccc1)c1ccco1 860592702 SMHBKZJSWSXMTI-GOEBONIOSA-N 297.354 3.699 30 20 CHED C#Cc1cccc(NC(=S)N2CCc3c(F)cccc32)c1 763356434 COORZWVGGAFISQ-UHFFFAOYSA-N 296.370 3.567 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C#N)cc1 765016755 ZDJOZZYDEQXDPA-CYBMUJFWSA-N 295.342 3.626 30 20 CHED N#CC1(CNc2c([N+](=O)[O-])ccc(Cl)c2Cl)CC1 865752554 ZJDKRROAUCTJKN-UHFFFAOYSA-N 286.118 3.617 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc3c(c2)ncn3C)o1 761205061 KZTZCVVFNMQSOE-YVMONPNESA-N 280.327 3.625 30 20 CHED Cc1csc(CCC(=O)OCCCCC(C)(C)C#N)n1 769498284 NJKQBMJMWUSOAV-UHFFFAOYSA-N 294.420 3.647 30 20 CHED Cc1ccc(C=NNc2ccc(Br)cc2)nc1 761804342 NXYSBSXVWCDIJC-UHFFFAOYSA-N 290.164 3.599 30 20 CHED COc1ccsc1C(C)=NNc1ncccc1Cl 769781051 VFHVLFLYLRRTSD-UHFFFAOYSA-N 281.768 3.641 30 20 CHED N#CC1CCC(CNCc2c(Cl)cncc2Cl)CC1 865551623 HDWJEQPMQFNKSW-UHFFFAOYSA-N 298.217 3.808 30 20 CHED CCC(C)(CC)C(=O)OCc1ccc(F)cc1C#N 767623155 SRKIAVLJCCEZDE-UHFFFAOYSA-N 263.312 3.567 30 20 CHED N#Cc1c(F)ccc(C=NNc2ccc(F)cc2)c1Cl 761744549 NTPJMEJGXFHPSL-UHFFFAOYSA-N 291.688 3.936 30 20 CHED C=CCOc1ccc(/C=C\c2nccc(O)n2)cc1Cl 764443192 UUGXXCOUUKOUOU-XQRVVYSFSA-N 288.734 3.571 30 20 CHED CC1(C#N)CCC(=NNCc2ccccc2Cl)CC1 1117831316 MIINNVFZZPYMFE-UHFFFAOYSA-N 275.783 3.889 30 20 CHED C=C(C)C[C@@H](NCc1c(Cl)cccc1Cl)C(=O)O 864530558 GIJSYXIQHWPBQP-GFCCVEGCSA-N 288.174 3.502 30 20 CHED CC[C@H](C(=O)OCCC(C)(C)C#N)c1ccc(F)cc1 764665968 RQYUTXYZDSRWCJ-AWEZNQCLSA-N 277.339 3.802 30 20 CHED C#CCOc1ccccc1-c1noc(C2CCCCC2)n1 761995739 MWSJUJCIONIWKU-UHFFFAOYSA-N 282.343 3.796 30 20 CHED COc1ccc(NN=C(C)c2ccccc2N(C)C)cc1 769586947 WTJNVJAMFWOVJM-UHFFFAOYSA-N 283.375 3.597 30 20 CHED CC(=NNCc1ccccc1Cl)c1cncc(C)c1 767371113 RPEFVGKGQMPQGP-UHFFFAOYSA-N 273.767 3.557 30 20 CHED CC(=NNc1ncc(F)cn1)c1oc2ccccc2c1C 760253871 IKTXEQQRYYUWFT-UHFFFAOYSA-N 284.294 3.506 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)n(CC2CC2)c1C 1115988138 GGDHKVOVPBNFAR-UHFFFAOYSA-N 274.408 3.553 30 20 CHED CCSc1cc(Cl)ccc1C(=O)OCC1(C#N)CC1 764619151 FCBHKQPFNABWET-UHFFFAOYSA-N 295.791 3.913 30 20 CHED CC(C)CC(=NNc1cnn(C)c1)c1ccc(Cl)cc1 761868723 JBYOXXMBVJJIGW-UHFFFAOYSA-N 290.798 3.936 30 20 CHED CCc1ccc(C(C)=NNc2ccc(F)cc2OC)o1 761884537 ITMCRXSBLCYAMA-UHFFFAOYSA-N 276.311 3.826 30 20 CHED CC(C)Nc1nnc(S[C@H](C#N)c2ccccc2)s1 1118405654 KZOHEABEPMYABF-LLVKDONJSA-N 290.417 3.715 30 20 CHED C#CCCCCCC(=O)N(C)c1ccc2ccccc2n1 779944682 RQUABHFZGQGNTF-UHFFFAOYSA-N 280.371 3.781 30 20 CHED Cc1ccnc(Cl)c1OCc1cc(C#N)ccc1F 771446837 LKFWOJDEJKBDQS-UHFFFAOYSA-N 276.698 3.633 30 20 CHED CC[C@@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 877927617 CMKJVOCGPROCDD-MJGOQNOKSA-N 298.430 3.549 30 20 CHED C=CCN(C(=O)c1cc(C)n(C(CC)CC)n1)C(C)C 776302087 GGOYVOQQZUCRGZ-UHFFFAOYSA-N 277.412 3.589 30 20 CHED CCCCCCCCC(=O)N[C@@H](CO)c1ccc(F)cc1 771128433 WFWPVWSOCSQZLD-INIZCTEOSA-N 295.398 3.726 30 20 CHED Cc1ccc(-c2ccc(C=NOC3CCOCC3)o2)cc1 774451115 OFVJQLFWHQKMPF-UHFFFAOYSA-N 285.343 3.785 30 20 CHED C=CC[C@@H](N[C@H](C)c1csc(C)n1)c1ccncc1 772864499 JKHKJLZLZFIGPE-BXUZGUMPSA-N 273.405 3.815 30 20 CHED C#CCCCCC(=O)N1CCC(Cc2ccc(C)cc2)CC1 1116544245 KUTATLLCCOEXGZ-UHFFFAOYSA-N 297.442 3.970 30 20 CHED CCC[C@@H](C(=O)OCc1cccc(C#N)c1F)C(C)C 774988444 JZAUZFSYXIGHDC-CQSZACIVSA-N 277.339 3.813 30 20 CHED CC(=NOCc1ccccc1)c1ccc(C#N)c(F)c1 776763454 GDNAENWLMVPQTN-UHFFFAOYSA-N 268.291 3.638 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1nc(-c2ccccc2)no1 773635215 KYSRWOIHXLNAQP-ZDUSSCGKSA-N 298.342 3.534 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)[C@@H]1CCCOC1 777447558 HDBGBEZVQALOGS-MSOLQXFVSA-N 288.435 3.646 30 20 CHED CCc1ccc(/C=C2\CC(=O)Nc3ccccc3C2=O)cc1 774144223 HULVXUTYNBZWBZ-RVDMUPIBSA-N 291.350 3.858 30 20 CHED CCC(Cc1ccccc1)=NNc1ccc2[nH]ncc2c1 779817133 CBMOKUDTNPYPFE-UHFFFAOYSA-N 278.359 3.984 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1 774130185 KEWLWFGSKVMAIE-GOSISDBHSA-N 277.371 3.595 30 20 CHED Cc1ccc(F)cc1C=NNc1ncccc1C(F)(F)F 777882577 BQRAFTRTGTVRBF-UHFFFAOYSA-N 297.255 3.994 30 20 CHED C=CCC[C@H](CCC)NC[C@@H](O)c1ccc(C)cc1 774491186 GLKVUEYTENWHMC-DLBZAZTESA-N 261.409 3.753 30 20 CHED Cc1ccc(F)c(COC(=O)c2cc(C#N)ccc2F)c1 1129040161 XRZOLLGJJSTCRA-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#CC[C@H](NCCC(=O)c1ccc(C)cc1)c1ccccc1 775655928 XUMPTFKTBPXBRA-IBGZPJMESA-N 291.394 3.922 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)[C@H]1CCCOC1 777447560 HDBGBEZVQALOGS-ROUUACIJSA-N 288.435 3.646 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1nn(C(C)C)cc1Cl 889558382 KISXQOVKEPRPID-JTQLQIEISA-N 284.791 3.594 30 20 CHED C#CCCCCCC(=O)Oc1ccc(Cl)c(F)c1 780013700 UBZHEVSCCOXZQF-UHFFFAOYSA-N 268.715 3.968 30 20 CHED C[C@@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 1127021787 BYZUSAABZNCCBM-OQUILHJVSA-N 283.371 3.989 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCCCc1ccsc1 782678826 JRMREWVCDYUTLL-FPLPWBNLSA-N 297.379 3.809 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNc1ccc(OC)cn1 780266758 AXVFOYJSFSVWTD-VXGBXAGGSA-N 261.369 3.704 30 20 CHED CCc1cccc(Cl)c1C=NNc1cncc(Cl)n1 788712113 NBFIINGQGLDXFD-UHFFFAOYSA-N 295.173 3.792 30 20 CHED COc1cc(C(=O)O)ccc1NN=C[C@@H]1CCCC[C@@H]1C 783863503 RFSPWQPJVIGPNG-AAEUAGOBSA-N 290.363 3.617 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)CCC1CCCC1 785760974 FOPYDAUIGSPYFP-INIZCTEOSA-N 266.381 3.671 30 20 CHED CCC[C@@H](C)C(=O)OCc1ccc(Cl)cc1C#N 780036362 ZKZNFGFNMPICLA-SNVBAGLBSA-N 265.740 3.691 30 20 CHED C#CCCCCCC(=O)OC[C@@H](C)c1ccc(OC)cc1 780471446 MPPPAWCBLVWBGR-OAHLLOKOSA-N 288.387 3.926 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)CCCC(F)(F)F)CC1 890211259 AGJRITSEERFBSU-NSHDSACASA-N 277.330 3.970 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 786639062 RZKQSYYDEUURIR-OAHLLOKOSA-N 277.320 3.549 30 20 CHED CCOC1CC2(CCN(c3ccc(C#N)cc3Cl)C2)C1 893837402 PQGYZUJRFQGPGS-UHFFFAOYSA-N 290.794 3.607 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)Cc2cc(O)ccc21 782353292 ZWOXTBQQOVECDM-XFFZJAGNSA-N 283.352 3.549 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C#N)c(F)cc1F)C(C)C 1132470361 LJFDHLNJAIDQTL-LLVKDONJSA-N 280.318 3.847 30 20 CHED COc1cccc(NC2CCC(C)(C#N)CC2)c1OC 895773708 FCOHSKRALZSONI-UHFFFAOYSA-N 274.364 3.588 30 20 CHED C[C@@H]1CCC[C@@H](CN(CCC#N)Cc2ccccn2)C1 92799551 NJQKTJNKWPRFPU-HZPDHXFCSA-N 271.408 3.624 30 20 CHED N#Cc1ccc2cc(C(F)(F)F)c(Cl)cc2n1 95835792 FGOXNRCDKVKFGJ-UHFFFAOYSA-N 256.614 3.779 30 20 CHED CC(=NNc1ncccc1C)c1c(F)cccc1F 790185135 CHYMXZANLVALCE-UHFFFAOYSA-N 261.275 3.504 30 20 CHED CCc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 505601650 HKVYFPKUPWFDHB-UHFFFAOYSA-N 264.372 3.753 30 20 CHED C[C@H]1CCc2c(F)cccc2C1=NNc1ncccc1F 794989466 IBIFJBQWZIQSEO-JTQLQIEISA-N 287.313 3.758 30 20 CHED CC(C)C(=NNc1cccc(F)c1[N+](=O)[O-])C1CC1 790307359 WZSZMZQNBMTUIV-UHFFFAOYSA-N 265.288 3.568 30 20 CHED C=C1CC(c2noc(-c3ccsc3Cl)n2)C1 896874344 LAMUTGHBHQXZCO-UHFFFAOYSA-N 252.726 3.885 30 20 CHED C#CCN(C)C(=O)c1ccc(Oc2ccccc2Cl)cc1 790966684 AWFFREPFHDKXBA-UHFFFAOYSA-N 299.757 3.838 30 20 CHED N#Cc1cccc(COC(=O)c2sccc2Cl)c1 797000600 LDSNUODNWGIMND-UHFFFAOYSA-N 277.732 3.630 30 20 CHED FC(F)(F)c1cccnc1NN=C[C@H]1CCCSC1 794897024 OTOWXLWFZQRSHA-SECBINFHSA-N 289.326 3.641 30 20 CHED CCN(C[C@H](C)C#N)C(=O)Cc1cc(Cl)cc(Cl)c1 599084137 SLLYCRPKKDPQDP-SNVBAGLBSA-N 299.201 3.544 30 20 CHED CC[C@H](CNc1n[nH]c(C2CC2)c1C#N)c1ccccc1 1202731563 MUIQZJGSLUXGPA-GFCCVEGCSA-N 280.375 3.764 30 20 CHED CC[C@@H](C)NN=Cc1ccc(-c2ccc(F)cc2)o1 790188583 KRSOPVHJEDTASO-LLVKDONJSA-N 260.312 3.808 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 1202790915 UVYXWFQXYWEHKZ-INIZCTEOSA-N 297.333 3.970 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](CO)c1ccccc1 793536846 YFVKPBMBLRKXKE-WBVHZDCISA-N 261.409 3.835 30 20 CHED C=C(C)CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 1262623211 WFZPTHJNFJCWFG-UONOGXRCSA-N 263.768 3.668 30 20 CHED N#Cc1ccccc1NC(=O)c1cc(C2CC2)cnc1Cl 796517485 VHRSZDSIZFDCTK-UHFFFAOYSA-N 297.745 3.736 30 20 CHED C=CCNN=Cc1ccc(N(C)c2ccccc2)cc1 795003328 ITOKHXNLLSWHAM-UHFFFAOYSA-N 265.360 3.564 30 20 CHED C=CCCC(C)(C)NCc1cc(Cl)cc(OC)c1O 717918674 HNFYQNAOVQZGBX-UHFFFAOYSA-N 283.799 3.889 30 20 CHED COc1ccc(CN(C)[C@H](C)c2cccs2)cc1C#N 87833267 HTUXCZZTVHYAMN-GFCCVEGCSA-N 286.400 3.821 30 20 CHED C#CCOc1ccccc1CNCc1sccc1Cl 785471059 UGGYBFPCKXMTRW-UHFFFAOYSA-N 291.803 3.703 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CC23CCCCC3)c1 1310871234 BJELYVSJICGDIA-HNNXBMFYSA-N 283.375 3.711 30 20 CHED COc1ccsc1[C@H](C)Nc1ccc(OCC#N)cc1 1321283885 UQVKZBJQWAWENL-NSHDSACASA-N 288.372 3.832 30 20 CHED N#Cc1cccc(OCCCCc2nnc(C3CCC3)o2)c1 1322281722 NOQCDCSNAHBUPQ-UHFFFAOYSA-N 297.358 3.610 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(-c2cnn(C)c2)cc1 1256382308 QZLKFCJQRYYUIS-YVMONPNESA-N 292.338 3.885 30 20 CHED N#Cc1cccc(N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)n1 1185188751 VZXAOAFLTXZCBS-JKQORVJESA-N 281.403 3.748 30 20 CHED CC(C)(CC#N)CN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 1182261758 NKQMJRSSVNTYFD-HZPDHXFCSA-N 286.419 3.762 30 20 CHED CSc1ccccc1C(=O)/C=C/c1cccnc1N(C)C 1258513104 QEWRGTUNYGAFOY-ZHACJKMWSA-N 298.411 3.766 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C#N)CCc1ccccc1 1262654260 BTEKBGLXOJPKFY-ZWKOTPCHSA-N 296.414 3.716 30 20 CHED CCCCc1nc(C=NOC(C)(C)C)c(Cl)[nH]1 1341307269 FBDDGOBFOPFZNO-UHFFFAOYSA-N 257.765 3.555 30 20 CHED CC(C)(C)C(=O)CCCC(=O)O[C@@H](CC#N)c1ccco1 1345546193 CEKIOKVCZYSBKP-ZDUSSCGKSA-N 291.347 3.563 30 20 CHED CC(=NOC(C)(C)C)c1ccc(Br)cc1O 1341309358 OFOWEKAGOKNSDZ-UHFFFAOYSA-N 286.169 3.694 30 20 CHED CCc1sc(C(=O)Nc2cc(C#N)ccc2F)cc1C 1275419592 IWCZAKMVKAVMPY-UHFFFAOYSA-N 288.347 3.882 30 20 CHED CN(C(=O)c1cc2ccccc2n1CC#N)c1ccsc1 1437292157 FDZFXUWTJCWRHI-UHFFFAOYSA-N 295.367 3.503 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1ccc(C#N)cc1 1289574542 HMZNHNNDDXNUOH-KRWDZBQOSA-N 276.339 3.665 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(C#N)cc1F 1447801816 ZQQYYIBUISSZIA-UHFFFAOYSA-N 293.301 3.739 30 20 CHED C=C(CC)C(=O)NC1(c2ccc(Br)cc2)CC1 1518981869 PTSZTPJJSYZWQJ-UHFFFAOYSA-N 294.192 3.521 30 20 CHED CC(C)CCCCCCNC(=O)C1(C#N)CCCC1 221138282 FTAVHROOHSNTKQ-UHFFFAOYSA-N 264.413 3.793 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCO2 1526758287 MCOPGSWXBBFYJQ-OAHLLOKOSA-N 286.375 3.584 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1 1526746478 XFRRPBXLURGIDY-MRXNPFEDSA-N 283.375 3.715 30 20 CHED Cc1ccc(F)cc1NCc1cccc(C#N)c1F 223726965 CQHLFOCETNCSLA-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#CC1(CCCCOc2ccc(CC(=O)O)cc2)CCC1 1601054256 ICPSKQAZGOTDAG-UHFFFAOYSA-N 287.359 3.557 30 20 CHED Cc1cccc2oc(C(=O)Nc3ccc(C#N)cc3)cc12 1530577251 UJWGQPIOBLRJCH-UHFFFAOYSA-N 276.295 3.865 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 1464418662 BACLYJLDLVXYMT-CYBMUJFWSA-N 295.342 3.671 30 20 CHED C#CCCCCNc1ncc(Cl)cc1Br 225819181 SAJIKCGOPAAQRQ-UHFFFAOYSA-N 287.588 3.713 30 20 CHED CC(=O)c1cccc(OCCc2ccc(C#N)cc2)c1F 1614900319 HFSJSKRJNIPZOF-UHFFFAOYSA-N 283.302 3.521 30 20 CHED CC(C)Oc1ncc(Cl)cc1NC[C@H](C)CCC#N 1474521474 MJFZVLUGLBYJGP-LLVKDONJSA-N 281.787 3.874 30 20 CHED C[C@H](NC(=O)NCC1CCCCCC1)c1cccc(C#N)c1 1470180517 ODXBNSCXXXTLPZ-AWEZNQCLSA-N 299.418 3.889 30 20 CHED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccc(F)cc1 1559295862 QSQUXNBZONTGLO-SSDOTTSWSA-N 281.743 3.980 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc(F)c(Cl)cc1Cl 119764880 AHHDVOAVBCSBKC-GFCCVEGCSA-N 289.137 3.555 30 20 CHED CCC[C@H](/N=C/c1c(CO)cnc(C)c1O)c1ccccc1 5111180 KOMXFUIXWTVKDA-PBGVMVHZSA-N 298.386 3.548 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2c(C#N)cccc2C#N)C1 1651153873 PKIIDCPSCNXQNL-ZDUSSCGKSA-N 267.376 3.692 30 20 CHED COc1cccc(Cl)c1NC(=O)c1csc(C#N)c1 1595916653 MXMVFRRWQIOLTH-UHFFFAOYSA-N 292.747 3.534 30 20 CHED Cc1cc(C#N)cc(NC(=O)C(C)(C)c2cccc(F)c2)c1 1597281321 PWQMMUYPJSKNOI-UHFFFAOYSA-N 296.345 3.922 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(C)[C@H](C)CCC 1760375555 PYZNJDHLUKFPTK-GFCCVEGCSA-N 296.846 3.923 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)Nc1sccc1C#N 1678968703 LMZHCCDGYZBXDO-LLVKDONJSA-N 277.393 3.568 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C(=O)O)c1ccccc1C 1776180815 LLZWGNYQQIVLMW-SFHVURJKSA-N 295.382 3.809 30 20 CHED CCCc1ccc(/C=C\C(=O)c2cncc(C(=O)O)c2)cc1 1776832189 OXKTULMYCPJWKK-HJWRWDBZSA-N 295.338 3.628 30 20 CHED C=CCCC[C@@H](N=c1cc[nH]c(C(=O)O)c1)c1ccccc1 1776172093 SFHRKEPQKKAOMM-MRXNPFEDSA-N 296.370 3.711 30 20 CHED Cc1ccc(C)c(COC(=O)/C=C/c2ccccc2C#N)c1 11249440 SRLRBSKRYFZOLB-MDZDMXLPSA-N 291.350 3.932 30 20 CHED N#CCCCCSCc1ccc(-n2cccn2)cc1 161152639 BMSIBYLGUBXZPO-UHFFFAOYSA-N 271.389 3.799 30 20 CHED Cc1ccsc1CCCC(=O)Nc1cccc(C#N)c1 158979904 JHILUOAYQURODU-UHFFFAOYSA-N 284.384 3.890 30 20 CHED C=C(Cl)CN[C@H](C)c1ccccc1OC(F)F 163363663 RZPNGIODSLGQCK-SECBINFHSA-N 261.699 3.691 30 20 CHED CCOCCC1(CNCc2cc(C#N)cs2)CCCC1 151874671 PPTBIACVZMVYSK-UHFFFAOYSA-N 292.448 3.696 30 20 CHED CCCC1(CNCc2ccc(N(C)CCC#N)cc2)CC1 151551094 FYMYFSWZNLOACE-UHFFFAOYSA-N 285.435 3.706 30 20 CHED C=CCCS[C@H](C)C(=O)NC[C@H](C)c1ccccc1 151993452 ZRJLZGGTNCJGOQ-UONOGXRCSA-N 277.433 3.604 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 155241064 DFUHWTROIUHVRD-KBPBESRZSA-N 298.390 3.588 30 20 CHED CCc1oc2ccccc2c1C(=O)N[C@H](C#N)C(C)(C)C 155278268 NWZVDQINJJCXDT-CQSZACIVSA-N 284.359 3.663 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 154298497 YOZPCRACYMXSHQ-MFKMUULPSA-N 276.767 3.520 30 20 CHED C#Cc1ccc(CN[C@H]2CCc3ccc(C)cc32)cc1 809615864 NBTKPUSNIFAZIX-IBGZPJMESA-N 261.368 3.753 30 20 CHED Cc1cc(N(C)Cc2cccc(C)c2C)c(C#N)cn1 1163377259 INHGGHVLADNVAP-UHFFFAOYSA-N 265.360 3.515 30 20 CHED C=CCCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 167444301 AQJYYVSXDXUBBS-LLVKDONJSA-N 259.309 3.623 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCC=CO1 158330246 LGBCOGFLXNKFJR-GFCCVEGCSA-N 282.265 3.682 30 20 CHED N#Cc1c(Br)cccc1N1CC[C@H](C2CC2)C1 400104270 CQJSRTKXWVIPJS-NSHDSACASA-N 291.192 3.557 30 20 CHED C=CCN[C@@H](CC)c1cc(F)cc(Br)c1 308913844 FIRHQXFQUPCGKA-LBPRGKRZSA-N 272.161 3.815 30 20 CHED CC(C)(CC#N)CNC(=O)c1cccc2ccsc12 315409546 BKBBINYEDRFFDW-UHFFFAOYSA-N 272.373 3.571 30 20 CHED CCN(Cc1ccc(C)cc1)Cc1ccccc1C#N 520183398 XDFCUMQLOBFZTD-UHFFFAOYSA-N 264.372 3.889 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1 320141825 BKVHXESSPAHVAG-SMDDNHRTSA-N 287.325 3.683 30 20 CHED C=CCC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl 468047533 HULYCQXYGQRWKI-SNVBAGLBSA-N 268.744 3.693 30 20 CHED COCc1ccccc1NCc1ccc(CC#N)cc1 342435812 LERGWFOLJWARBI-UHFFFAOYSA-N 266.344 3.511 30 20 CHED CSC[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 385646786 ACUAZOQZBYOZBT-CQSZACIVSA-N 268.470 3.781 30 20 CHED C=CCCC[C@H](C)N[C@H](C(=O)OCC)c1ccccc1 398174385 MGDRBEJGRSLZLU-HOCLYGCPSA-N 275.392 3.625 30 20 CHED N#CCc1ccc(COc2ccccc2Cl)cc1 399141602 VCOZVAWWFDSMEB-UHFFFAOYSA-N 257.720 3.985 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C[C@H]1C=CCCC1 1331453984 QTBQIIUVDQOWMP-NSHDSACASA-N 274.751 3.897 30 20 CHED C=CCOc1cccc(NC(=O)C[C@H]2C=CCC2)c1 55723148 PJSNQAMGRQCJEX-ZDUSSCGKSA-N 257.333 3.546 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 55352791 ZJZCMFNQGKHEHC-QGZVFWFLSA-N 276.339 3.617 30 20 CHED COc1ccc(C)cc1NC(=O)Nc1cccc(C#N)c1 51121342 ZWBJSVIFNOXICA-UHFFFAOYSA-N 281.315 3.519 30 20 CHED CSCc1cccc(NC(=O)C2(C#N)CCCC2)c1 109233693 ZIRDEOWMJLXUSY-UHFFFAOYSA-N 274.389 3.572 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2cc(F)ccc2O)cc1 175191468 LCWKOPXTKSWGBQ-UHFFFAOYSA-N 298.317 3.585 30 20 CHED C[C@H]1CN(C(=O)NCCCCC#N)CC[C@H]1c1ccccc1 176390534 BGKDRUBHPXUBOL-DOTOQJQBSA-N 299.418 3.515 30 20 CHED COCc1nc(-c2cn(CCC#N)c3ccccc23)cs1 63630969 NYJWURQITGCOBX-UHFFFAOYSA-N 297.383 3.825 30 20 CHED CC(C)Oc1ccc(Oc2ncccc2C#N)cc1 301553669 RQHSHZCGZAHBOW-UHFFFAOYSA-N 254.289 3.533 30 20 CHED CN(Cc1cccs1)c1c(F)cc(C#N)cc1F 111141784 HGHBRJBDNFMICM-UHFFFAOYSA-N 264.300 3.534 30 20 CHED C=CCCCC(=O)NCc1ccc(C(F)(F)F)cc1 175141913 KTIZXEIVPCFLEA-UHFFFAOYSA-N 271.282 3.678 30 20 CHED Cc1[nH]c2c(C(=O)OCC3(CC#N)CC3)cccc2c1C 174750779 KJMGQCCIBVLNFD-UHFFFAOYSA-N 282.343 3.635 30 20 CHED Cc1ccc2c(c1)CCN(c1c(F)cc(C#N)cc1F)C2 302701488 IEFWELSLBBSJQD-UHFFFAOYSA-N 284.309 3.708 30 20 CHED CCOCc1cccc(Nc2cc(C#N)ccc2[N+](=O)[O-])c1 302200833 HIAHHBKQNIHNEP-UHFFFAOYSA-N 297.314 3.747 30 20 CHED N#CCCCCNC(=O)C(c1ccccc1)c1ccccc1 171507301 DVAWYCGCFPDAHC-UHFFFAOYSA-N 292.382 3.629 30 20 CHED Cc1cccc([C@@H](C)[S@](=O)Cc2ccc(C#N)cc2)c1 178114281 RDRDCHBGLVEXGL-JLTOFOAXSA-N 283.396 3.877 30 20 CHED N#Cc1cccc(C#N)c1N1CCSC2(CCCCC2)C1 302444146 NQJIKKTUDMIRIM-UHFFFAOYSA-N 297.427 3.686 30 20 CHED N#CCCCN1CCSC[C@@H]1c1ccc(Cl)cc1 116326665 BDSKEGLNAOYKOS-CQSZACIVSA-N 280.824 3.734 30 20 CHED N#Cc1ccnc(S[C@@H](C#N)C2CCCCC2)c1 115187332 VVFCRFGDQIJCRE-ZDUSSCGKSA-N 257.362 3.518 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1csc2ccccc12 176777813 SLSSTLSCWHABOF-LBPRGKRZSA-N 259.330 3.606 30 20 CHED C=CCCCC(=O)N[C@](C)(CC)c1nc(C)cs1 177889933 ZZLABPXKMALSMN-CQSZACIVSA-N 266.410 3.549 30 20 CHED C[C@@H](SCC(=O)Nc1ccccc1)c1ccc(C#N)cc1 118445899 RPKXHFQKLFDXIE-CYBMUJFWSA-N 296.395 3.991 30 20 CHED CC(C)n1cc(/C=C2/Cc3cc(Cl)ccc3C2=O)cn1 172819667 KKFFCZIIMBZRIW-ACAGNQJTSA-N 286.762 3.940 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CCCCC1 171137785 OMDGYNOTYQDORO-UHFFFAOYSA-N 288.395 3.569 30 20 CHED C=CCN(Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1 63300912 AXQOKTLIZQTYBA-UHFFFAOYSA-N 287.366 3.618 30 20 CHED N#Cc1ccc(CNc2ccc(OC(F)F)cc2)c(F)c1 37326361 JEQJXBHUPDYQAD-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CC(C)Oc1cncc(N[C@H](CCC#N)c2ccccc2)n1 127935068 IGWXWJPJKZPRLG-OAHLLOKOSA-N 296.374 3.721 30 20 CHED C[C@H](CC1CCCCC1)Nc1nccc(C#N)c1[N+](=O)[O-] 302867452 WIEVGCAXAXHELB-LLVKDONJSA-N 288.351 3.632 30 20 CHED COCCOc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 314530464 BMFAROMJQDAAHB-CQSZACIVSA-N 296.370 3.757 30 20 CHED C=CCC[C@@H](NCCCOC1CCCC1)C1CC1 120725548 FJUHHPKOHOYQQG-MRXNPFEDSA-N 251.414 3.670 30 20 CHED C=C(C)CN(CCC)[C@H](C)CC(=O)Nc1ccccc1 502944881 VCRGCRQDQIMSDG-OAHLLOKOSA-N 274.408 3.692 30 20 CHED Cc1nc(NC(=O)c2ccc(C(C)C)s2)ccc1C#N 411053156 QSXFVORUSBWAHQ-UHFFFAOYSA-N 285.372 3.699 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2ccc(C)cc2)s1 79263261 HTJBWEYBQAPVPW-UHFFFAOYSA-N 284.384 3.672 30 20 CHED C[C@@H](SCCC#N)c1nnc(-c2cccs2)o1 413010593 GZFAAIQXTCJPKG-MRVPVSSYSA-N 265.363 3.506 30 20 CHED N#CCc1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1 313725438 CRKWOSIHALMTIH-UHFFFAOYSA-N 282.387 3.908 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416111804 VCRLNDLCWUTZBO-SJLPKXTDSA-N 282.387 3.654 30 20 CHED C=C(C)CCSc1nncn1-c1ccc(C)cc1C 505449178 LCODPQUUNFQEPZ-UHFFFAOYSA-N 273.405 3.942 30 20 CHED C#CCCCCC(=O)NC(C)(C)c1ccc(F)c(F)c1 120255499 RBNAPMGFWWQWAX-UHFFFAOYSA-N 279.330 3.510 30 20 CHED C=C(C)[C@H](N[C@H](C)c1cnccn1)c1ccc(F)c(F)c1 186455483 ROBHZRRAHWHAOB-BZNIZROVSA-N 289.329 3.723 30 20 CHED C[C@H](c1ccccn1)N(C)Cc1ccc(Cl)cc1C#N 187365871 HCEYLURKICGDNF-GFCCVEGCSA-N 285.778 3.800 30 20 CHED Cc1ccc(O)c(CNc2ccccc2O[C@H](C)C#N)c1 181132573 SITONCFCYRXBRT-CYBMUJFWSA-N 282.343 3.604 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@]1(C)CC 125558994 JUYNYNSMUMMIPT-WMZOPIPTSA-N 282.387 3.509 30 20 CHED CC#CCCCC(=O)N1Cc2ccccc2C[C@H]1CC 186390873 BNMINFBGQRSOGG-QGZVFWFLSA-N 269.388 3.544 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc3c(c2)CC(C)(C)O3)c1 184782256 LAUCKEVJSYVKNE-GQCTYLIASA-N 293.366 4.000 30 20 CHED CC(C)[C@H]1CN(C(=O)NCC2(C#N)CCC2)c2ccccc21 419637348 HZKAUMJEZORIFL-OAHLLOKOSA-N 297.402 3.650 30 20 CHED CC#CCCCC(=O)N[C@H](C)Cc1cc(C)cc(C)c1 185691120 LOKNLSIFFJYHKO-MRXNPFEDSA-N 271.404 3.544 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 186445203 OQMCZZMSOSBZGA-LBPRGKRZSA-N 273.380 3.561 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2CCCCCCC2)n1 76763292 PUTPIBUVFBGEGH-ZDUSSCGKSA-N 276.405 3.988 30 20 CHED CC#CCCCC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 189593973 YJUQCOWNBQMVEA-MSOLQXFVSA-N 283.415 3.708 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)/C=C/c2cccnc2)n1 131165303 JBBKLFWSKWSVLS-GFUIURDCSA-N 297.383 3.551 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2ccc(F)cc2C#N)cc1 183088492 JWVPJROPDCYTDN-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)nn1C(CC)CC 410141363 FVPGKHYAIZNLDP-CYBMUJFWSA-N 277.412 3.637 30 20 CHED C[C@H](NCCCCN1CCCC[C@H]1C)c1cccc(C#N)c1 181511302 DWPYRIXZAYGNAV-SJORKVTESA-N 299.462 3.863 30 20 CHED CCCCCCC[S@](=O)Cc1csc(C)n1 133261239 OMVYJWJUTVEOFJ-MRXNPFEDSA-N 259.440 3.671 30 20 CHED N#CC1(CNC(=O)Nc2ccc(Cl)c(Cl)c2)CCC1 416741846 YKNADZZYXZKEMG-UHFFFAOYSA-N 298.173 3.809 30 20 CHED CCC(CC)(CC)C(=O)Nc1ccc(C#N)cc1OC 613372452 BFWIRXLBOCPBTQ-UHFFFAOYSA-N 274.364 3.722 30 20 CHED N#Cc1ccccc1C[S@@](=O)c1ccc(Cl)cc1 84257493 DVHPGCGGHBQSSO-SFHVURJKSA-N 275.760 3.519 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)CCSCC)c1ccccc1 136850449 XAPVQYFXUGEHBN-LSDHHAIUSA-N 291.460 3.994 30 20 CHED C=CCC1(C(=O)Nc2nc3ccccc3n2CC)CCC1 191718877 XMMVQSLUIWPRLL-UHFFFAOYSA-N 283.375 3.741 30 20 CHED CCC(C)(C)CNC(=O)N[C@@H](CCC#N)c1ccccc1 190604249 QRYHIEGRXZYASX-HNNXBMFYSA-N 287.407 3.767 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(-c2ccc(C)cc2)no1 47904879 UVCAXQCBDNLGHU-UHFFFAOYSA-N 284.359 3.688 30 20 CHED N#CCc1cccc(C(=O)Nc2cncc3ccccc23)c1 89764919 UVBBKSQFKXBXDP-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC=CCC2)n1 80459093 PQWXQKZULIVZCK-NWDGAFQWSA-N 274.389 3.799 30 20 CHED C#CCCCC(=O)Nc1cc(Cc2ccccc2)ccc1O 192193681 AZQJCAQXKKMYCQ-UHFFFAOYSA-N 293.366 3.725 30 20 CHED CCN(Cc1ccccc1C)C(=O)Nc1cccc(C#N)c1 43329522 AXBIISISWNEKPI-UHFFFAOYSA-N 293.370 3.921 30 20 CHED Cc1c(C/N=C(/O)C[C@@H]2CCOC2)oc2ccccc12 329846195 OUSBMKVGHWGXJZ-LBPRGKRZSA-N 273.332 3.624 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCCC2(C)C)cc1 427165369 SJNKOXRRPMRPDA-OAHLLOKOSA-N 273.376 3.560 30 20 CHED C[C@H]1c2ccsc2CCN1CCOc1cccc(C#N)c1 42248184 IJODKQUUAUGLDV-ZDUSSCGKSA-N 298.411 3.618 30 20 CHED CC(C)c1scnc1N=C(O)[C@H]1CCO[C@H]1C(C)C 329629893 WDLSQXPCERLYEA-QWRGUYRKSA-N 282.409 3.916 30 20 CHED N#Cc1cc2c(nc1NCCSc1ccccc1)CCC2 42248078 NXTNIEFLZIMHMM-UHFFFAOYSA-N 295.411 3.646 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(F)cc2Cl)C1 612164916 IXCRXXCGWVWJDE-AWEZNQCLSA-N 266.747 3.605 30 20 CHED N#Cc1ccccc1CNC1(C(F)F)CCCCC1 510092828 CUBVPFDACQTFHD-UHFFFAOYSA-N 264.319 3.616 30 20 CHED C#CCCCC(=O)Nc1cnccc1-c1cccc(F)c1 192149419 DCEVZHWEMDWCCW-UHFFFAOYSA-N 282.318 3.630 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)CC(C)C 133540967 GRKRSJMABXMAMK-OAHLLOKOSA-N 299.418 3.690 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN(C)[C@H](C)CC#N 191065504 URTSHAHDKOZTKG-LLVKDONJSA-N 270.298 3.748 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@H](C)c1ccccc1 512439163 OHUCLCYJSSPMKH-INIZCTEOSA-N 299.414 3.954 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCCc1ccc(F)cc1 516191767 KKGJWACREGFSPQ-QGZVFWFLSA-N 290.382 3.593 30 20 CHED COc1ccccc1[C@@H](C)[S@](=O)Cc1ccccc1C#N 339149375 HYBBZIKRBHRIJS-LRTDBIEQSA-N 299.395 3.577 30 20 CHED COc1ccc(CN[C@H]2CCCc3sccc32)cc1C#N 87824222 SCFOTMSZFUURMZ-HNNXBMFYSA-N 298.411 3.796 30 20 CHED Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2CC#N)cc1 425581238 KMCYLAKLHICYGH-IRXDYDNUSA-N 290.366 3.803 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](c2cccnc2)C1 335418731 VXZWSPALIIVYSY-KDOFPFPSSA-N 277.371 3.504 30 20 CHED CCCCCCCC(=O)Oc1cccc([N+](=O)[O-])c1 141063391 ZUBIXZHVEBGBHG-UHFFFAOYSA-N 265.309 3.861 30 20 CHED N#Cc1cc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)O)cs1 517966250 VULRUFRLWGVHJU-NVXWUHKLSA-N 295.363 3.575 30 20 CHED CC(C)(C)CCCCNC(=O)NCc1cccc(C#N)c1 511206179 ZRQRGKXDOPVPNI-UHFFFAOYSA-N 287.407 3.574 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](c1ccccc1)C1CC1 424838246 DNUIIHXJMVSGSB-MRXNPFEDSA-N 271.404 3.899 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)cc2OC)cc1O 96930512 YAQMOFWTMYYFTN-YVMONPNESA-N 298.338 3.614 30 20 CHED Cc1nc(C)c([C@@H](C)N(C)Cc2cc(C#N)cs2)s1 93275711 VGNZKIHINRVPTI-SNVBAGLBSA-N 291.445 3.886 30 20 CHED C=CC[C@H](CC)NC(=O)NC1(C)CCC(C)CC1 514240388 AOGFJIPRFDLILR-OWYJLGKBSA-N 252.402 3.609 30 20 CHED Cc1cc(F)ccc1CCN[C@@H](C)c1cccc(C#N)c1 94950058 GTOUTUPUOXZVLH-AWEZNQCLSA-N 282.362 3.899 30 20 CHED CCCN(C(=O)NCC(C)(C)C#N)[C@H]1CCc2ccccc21 512922227 HNOAWVJKUSNAOX-INIZCTEOSA-N 299.418 3.645 30 20 CHED Cc1ccccc1NC(=O)NC1(c2cccc(C#N)c2)CC1 335933374 HSIGVTAZDXDPKF-UHFFFAOYSA-N 291.354 3.678 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1cc(C)on1 438319549 IVEXALFONPUYBS-UHFFFAOYSA-N 273.332 3.608 30 20 CHED C=C(CC)CNc1cccc(C(=O)OC)c1Cl 431111160 KCBTZFIIIAEZGI-UHFFFAOYSA-N 253.729 3.505 30 20 CHED CC1(C)CCN(C(=O)c2cccc(SCC#N)c2)CC1 334944212 IXNKSZUGXZZQPI-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CCN(Cc1ncc(C)s1)[C@H](C)c1ccc(C#N)cc1 180445288 KHFGDZOZJLAISS-CYBMUJFWSA-N 285.416 3.906 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1Oc1ccncc1 337904297 TVMIUZFACZEBSX-UHFFFAOYSA-N 296.370 3.912 30 20 CHED C=CCC[C@@H](C)Nc1cc(COC)cc(C(=O)OCC)c1 430215095 BQJFCUVXSVHONT-CYBMUJFWSA-N 291.391 3.776 30 20 CHED C[C@@H]1CC=CC[C@@H]1COC(=O)c1cccc(CC#N)c1 97364330 VWIZWIIEHIDHBB-CZUORRHYSA-N 269.344 3.512 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C#N)c1C 431753431 VOUFNYACKCGQIX-XJKSGUPXSA-N 285.391 3.957 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@H]1c1ccccc1 347242845 BOOARBLAZVKFOS-KRWDZBQOSA-N 278.355 3.514 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1Cl)C1CCOCC1 439452313 NVCJPDWADSMBCT-MRXNPFEDSA-N 292.810 3.506 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccoc1CC 430421883 ZZHBXGQXBQKYOV-UHFFFAOYSA-N 283.371 3.713 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ncccc2SC)no1 347167289 SPPPVDMTEYAOAI-CQSZACIVSA-N 275.377 3.707 30 20 CHED C=CCNC(=O)NCC1(Sc2ccccc2)CCCC1 520992766 NEZCKLPYIVSWCN-UHFFFAOYSA-N 290.432 3.577 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 248824431 JWHGNGFTOGNRMH-MWDXBVQZSA-N 273.420 3.607 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCCC#N 342625410 BVPVCALTHIMJTR-JTQLQIEISA-N 299.201 3.592 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cc(C)c(C)c(C(=O)O)c1 439899135 VEIBBOXMHUCBFO-NSHDSACASA-N 275.348 3.542 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCCC)CCCC 437933913 OKIDCWHTACLDIC-HZPDHXFCSA-N 296.455 3.579 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(OC(F)F)ccc1F 529198111 HLHCZPAFWHEFRQ-JTQLQIEISA-N 299.292 3.608 30 20 CHED CC1CCC(N(C)C(=O)[C@H](C#N)CCc2ccccc2)CC1 433223796 SVSARVWQGBXBBT-NXYGQSRBSA-N 298.430 3.796 30 20 CHED C=CCN(C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 348188245 RJCNFYVTLCMKEA-UHFFFAOYSA-N 295.308 3.509 30 20 CHED N#C[C@H](NC(=O)CCC1CC1)c1cccc(C(F)(F)F)c1 349517857 LYORXCDHLDIWIO-ZDUSSCGKSA-N 296.292 3.576 30 20 CHED N#Cc1ccc(CN2CCCc3occc3C2)c(Cl)c1 344234330 JDMZFRLPZLGXPF-UHFFFAOYSA-N 286.762 3.753 30 20 CHED N#CCc1ccc(CN2CCC(OC3CCCC3)CC2)cc1 342691243 CBRXAECRJHJLOT-UHFFFAOYSA-N 298.430 3.676 30 20 CHED C=CCCCCCN(C)C(=O)COc1cccc(Cl)c1 606814290 JBUSCSOXUZTOCI-UHFFFAOYSA-N 295.810 3.924 30 20 CHED CCC[C@@]1(C(=O)OCC)CCCN1CCCC(C)(C)C#N 444780558 NETBQOXDJTYXRW-KRWDZBQOSA-N 294.439 3.514 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCCC(=O)C1CC1 448969871 PGHNXHPJMIDRBO-UHFFFAOYSA-N 291.435 3.731 30 20 CHED CCOCc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 447589731 YVKOCOOCGUNHSD-GDBMZVCRSA-N 258.365 3.717 30 20 CHED C=CCCC1(C(=O)Nc2cccc3ccn(C)c23)CC1 356994403 ICFJKDCWFKXXDK-UHFFFAOYSA-N 268.360 3.863 30 20 CHED C=CC[C@@H]1N(CCc2ccccn2)CCCC1(C)C 444782834 RIZYWTJNBQGHIN-INIZCTEOSA-N 258.409 3.691 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccccc1OC(C)C 604895535 VAYZZFMOCAPSGJ-UONOGXRCSA-N 290.407 3.799 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H]1CC 448819009 RRVXYAQFANSIQB-ROUUACIJSA-N 296.414 3.899 30 20 CHED Cc1ccc([C@H](C)CNC(=O)c2ccccc2CC#N)cc1 601206285 UJJVJNVAJMQTEV-OAHLLOKOSA-N 292.382 3.595 30 20 CHED C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC[C@H]1C 356635426 PETZRBJGBWFLPH-BFYDXBDKSA-N 284.403 3.578 30 20 CHED Cc1c(C#N)cccc1N[C@@H](c1nc[nH]n1)C1CCCCC1 602592975 WJRHXNBFLLENDK-MRXNPFEDSA-N 295.390 3.718 30 20 CHED CC(C)(C)c1cnc(S[C@H](C#N)Cc2ccccc2)[nH]1 601096968 KAGWBBJJGSBYRI-ZDUSSCGKSA-N 285.416 3.934 30 20 CHED Cc1nc(C(=O)N[C@H](C)CCC2CCCCC2)ccc1C#N 359457739 MEKWQSRGHJXNAO-CYBMUJFWSA-N 299.418 3.741 30 20 CHED Cc1ccc(OCc2ccc(C#N)c(C)c2)c([N+](=O)[O-])c1 447314369 UXUDXCKQTZBCOA-UHFFFAOYSA-N 282.299 3.662 30 20 CHED Cc1ccc(CN(CCC#N)CC(C)(C)C)cc1F 353416609 OUCDUQSWUPNVQB-UHFFFAOYSA-N 262.372 3.896 30 20 CHED CC(C)N(CC1CCC1)C(=O)NCC(C)(C)CCC#N 358701628 ZSFLWTYQOJLCSE-UHFFFAOYSA-N 279.428 3.536 30 20 CHED Cc1ccc(-c2csc(NC(=O)[C@@]3(C#N)C[C@@H]3C)n2)cc1 448938258 PXTISFHNMJAWTF-MEDUHNTESA-N 297.383 3.607 30 20 CHED CCc1ccccc1CN1CCC[C@@]2(CCCCO2)[C@H]1C#N 447904977 LKDJVCOJNZHCNP-MOPGFXCFSA-N 298.430 3.676 30 20 CHED C=C(C)[C@H](CC(=O)NCC1(CC(C)C)CCC1)OCC 535910709 PPKAATNKBKVGFG-HNNXBMFYSA-N 281.440 3.690 30 20 CHED Cc1ccc(Cl)c(NC(=O)N2CCC[C@@](C)(C#N)C2)c1 612314896 HUCLFHGIARJWMD-HNNXBMFYSA-N 291.782 3.806 30 20 CHED C=CC(C)(C)CN[C@@H](CC)Cc1ccc(OC)c(OC)c1 449486701 UTGYKFFMBLFNLO-HNNXBMFYSA-N 291.435 3.827 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](C)CCc2ccco2)cc1 357629778 SXFBCNBURFSZCU-AWEZNQCLSA-N 299.370 3.596 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3oc(C)nc3c2)C1 617780429 VLPGYUIBMHAVQG-ZDUSSCGKSA-N 284.359 3.565 30 20 CHED CCCC[C@@H](NC(=O)c1ccc(CC#N)cc1)C1CCC1 535442625 VIPNUFKPLCHIIP-QGZVFWFLSA-N 284.403 3.841 30 20 CHED C[C@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccc(C#N)cc1 266519948 ZJMUYHKEDQFGKW-UONOGXRCSA-N 292.382 3.905 30 20 CHED N#Cc1cc(NCCCC2CCOCC2)ccc1Cl 447802164 HYJOSXDLPQYCJU-UHFFFAOYSA-N 278.783 3.830 30 20 CHED C=CCC1(NC(=O)[C@@H](OCC)c2ccccc2)CCCC1 619104672 RGQHOTGNCHVCPS-INIZCTEOSA-N 287.403 3.769 30 20 CHED COC(=O)c1cccc(CSCCC(C)(C)C#N)c1 266254282 REMLADRMLYSQJD-UHFFFAOYSA-N 277.389 3.646 30 20 CHED C=CCN(C(=O)C[C@H](C)Cc1cccc(F)c1)C1CC1 537931283 KRFZVSCYUFZWBT-CYBMUJFWSA-N 275.367 3.571 30 20 CHED Cc1ccc2oc(C(=O)N(CCC#N)CCC(C)C)cc2n1 354890603 DSKPIRKWNGSKIO-UHFFFAOYSA-N 299.374 3.538 30 20 CHED CC(C)(C#N)CC(=O)N1CC(C)(C)[C@H]1c1ccccc1 618641948 AVKHGWRPXMJIFA-OAHLLOKOSA-N 270.376 3.536 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)CCc1ccc2ccccc2c1 267505801 HFMIXHRQPOMEHU-KRWDZBQOSA-N 294.398 3.827 30 20 CHED CC[C@H]1CCCCN1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618852487 UYIBNNLMVIMITE-RDJZCZTQSA-N 297.402 3.520 30 20 CHED CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1ccc(Cl)s1 265182621 YVKOLICFFNZOOW-NXEZZACHSA-N 299.827 3.654 30 20 CHED C=CCC1(CNC(=O)[C@H]2CC(=O)c3ccccc32)CCCC1 456508939 PTWUSUMDESDANR-INIZCTEOSA-N 297.398 3.609 30 20 CHED N#Cc1cc(CN[C@H]2CCCC[C@@H]2c2ccccc2)ccn1 614326202 YTMCLBDUHCAHGE-MOPGFXCFSA-N 291.398 3.769 30 20 CHED COCc1ccc(CN[C@H](CCC#N)c2ccccc2)o1 269628357 SUIPLTQFDWWDBU-QGZVFWFLSA-N 284.359 3.561 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C(C)(C)C)s1 456259605 HJTGTILHQLRYDQ-NEPJUHHUSA-N 293.432 3.509 30 20 CHED N#CCC(=O)Nc1cccc(Sc2ccccc2)c1 613946484 ZNPWHBNFGXRBDY-UHFFFAOYSA-N 268.341 3.690 30 20 CHED CCCCN(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CC1 610407205 XUYAHYHKMXOWTM-CYBMUJFWSA-N 285.391 3.593 30 20 CHED CCc1cccc(NC(=O)c2cc(C#N)[nH]c2C)c1CC 451164907 CEIIZJGCOLKTLA-UHFFFAOYSA-N 281.359 3.572 30 20 CHED Cc1cccc(C)c1OCCN[C@@H](C)c1ccc(C#N)cc1 537293586 XLASFZOFSRLCLK-INIZCTEOSA-N 294.398 3.905 30 20 CHED C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)[C@@H]2CCCC[C@@H]12 531217080 HMTORLAWOHQSAK-KWCYVHTRSA-N 288.416 3.661 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)CCCC1 450447208 UHUMRBZSQNNJLZ-JKSUJKDBSA-N 293.451 3.833 30 20 CHED C=CCn1c(SC[C@H](C)CC)nc2sccc2c1=O 532032938 KBMHGHDRTOIPCP-SNVBAGLBSA-N 294.445 3.782 30 20 CHED N#Cc1ccc(CNC(=O)C[C@H]2C=CCCC2)cc1Cl 619766248 UBCMGUTWNONYOM-LBPRGKRZSA-N 288.778 3.574 30 20 CHED N#C[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccc(Cl)cc1 275062835 RPJJUUVQCFSQKL-IUODEOHRSA-N 288.778 3.767 30 20 CHED N#Cc1cc(Cl)ccc1CSC1=NCCS1 274712658 DURUEKKPLUKKTL-UHFFFAOYSA-N 268.794 3.548 30 20 CHED C=CCC1(NC(=O)c2ccncc2Cl)CCCCC1 456368512 PBMTWBLGCKHWIJ-UHFFFAOYSA-N 278.783 3.744 30 20 CHED CCC[C@H](CC)NCc1ccc(C#N)c(Cl)c1 619755794 TWKWEBPLSQZULP-ZDUSSCGKSA-N 250.773 3.880 30 20 CHED C=C(CC)CN[C@@H](COCC(C)C)c1ccco1 543485928 ODSRSNGRXYSHLG-AWEZNQCLSA-N 251.370 3.549 30 20 CHED CCSc1ccc(Cl)cc1C(=O)N[C@@H](C#N)C(C)C 362043164 GJLVPEIDJNTNIN-LBPRGKRZSA-N 296.823 3.730 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(CN3CCCC3)cc2)no1 453062584 FAOHULXHKBDUQE-UHFFFAOYSA-N 297.402 3.796 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1nc(C2CCCCC2)cs1 451611588 JHBLPLICQBWGFZ-HIFRSBDPSA-N 292.448 3.624 30 20 CHED C=C(CC)CNC(=O)[C@H](Cc1ccccc1)C(C)C 456811940 LCIHYIYHMJGKAC-MRXNPFEDSA-N 259.393 3.584 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccccc1OCC 272426825 PEXNYAVUPBDLMQ-UHFFFAOYSA-N 299.370 3.549 30 20 CHED C=CCCSCc1nc(-c2ccccc2F)no1 548686817 KCYJTBSMQCTZRX-UHFFFAOYSA-N 264.325 3.685 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCO[C@H]2C(=C)C)CCCCC1 451391873 JOGSGPAPLFWFNP-CVEARBPZSA-N 291.435 3.610 30 20 CHED C=CCCCCCN(C)c1nnc(-c2ccccn2)s1 544844264 ZMJAIJLMKQFKOY-UHFFFAOYSA-N 288.420 3.783 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C)C(C)(F)F)c1ccccc1 452875172 SHOGYZBHYZNAAO-TZMCWYRMSA-N 281.346 3.896 30 20 CHED COc1cccc(C2(NCCCCC(C)(C)C#N)CC2)c1 278595555 DOOSJXXIDWGBME-UHFFFAOYSA-N 286.419 3.994 30 20 CHED CCN(Cc1ccc(Cl)s1)[C@@H](C)CCC#N 276290751 HTEIANBAFGFIQN-JTQLQIEISA-N 256.802 3.916 30 20 CHED C=C(C)[C@H](CC(=O)N(Cc1cccs1)C(C)C)OCC 270051895 MLKNSSWEJLSNNR-HNNXBMFYSA-N 295.448 3.856 30 20 CHED Cc1ccnc(N2C[C@H](C)C[C@H]2c2ccccc2F)c1C#N 541276922 CFZBPOKHSYQZPA-PXAZEXFGSA-N 295.361 3.988 30 20 CHED C[C@H](CN(C)c1c(F)cc(C#N)cc1F)c1nccs1 273099369 DWLRRLWJUAWFCK-SECBINFHSA-N 293.342 3.533 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCC(C)(C)c1ccc(C)cn1 624112615 DUNPNNPEQDCHQV-HUUCEWRRSA-N 260.425 3.858 30 20 CHED C=CCC1(NC(=O)Nc2cccc(N)c2C)CCCC1 625907856 LLJTXAAWGVWEEI-UHFFFAOYSA-N 273.380 3.588 30 20 CHED C[C@H](C(=O)NCC[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 462064892 HMFUAOZTIZCJRO-ZOBUZTSGSA-N 298.430 3.994 30 20 CHED C=CCN(C(=O)c1ccnc(SCC)c1)C(C)(C)C 622943835 SWJBSFXTSRITNW-UHFFFAOYSA-N 278.421 3.620 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2cccc(OCC#N)c2)CC1 275473175 OMHSEROHKWTWSN-HDJSIYSDSA-N 286.375 3.744 30 20 CHED C=CCC[C@H](N[C@@H]1CCN2CCC[C@H]2C1)c1ccco1 375887852 JVUXOKPXNRVBIG-PMPSAXMXSA-N 274.408 3.503 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@H]1C 460958699 NNAMUOPUSZUAPX-MGPQQGTHSA-N 276.428 3.602 30 20 CHED C=CCN(C(=O)c1cc(C(F)(F)F)ccc1NC)C1CC1 622837527 QNSYBUQEGHZCRS-UHFFFAOYSA-N 298.308 3.538 30 20 CHED N#CC1(c2ccccn2)CCN(CCC2CCCC2)CC1 374296128 WCMNJCIWANLELE-UHFFFAOYSA-N 283.419 3.519 30 20 CHED C=CCn1c(SCC#CC)nnc1-c1cccc(C)c1 463045281 VYCPFTFVVIVWON-UHFFFAOYSA-N 283.400 3.555 30 20 CHED CC(C)c1ccc2occ(C(=O)N[C@@H](C#N)C(C)C)c2c1 286455544 RYILOJBGSVMJSH-HNNXBMFYSA-N 284.359 3.834 30 20 CHED C=CCCCCNCc1ccc(C)cc1-c1cnn(C)c1 554922302 CZGUELZCQVSXJG-UHFFFAOYSA-N 283.419 3.841 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(OC(C)C)cc1 280720930 UYHCZXUJPWVPOU-FUHWJXTLSA-N 289.419 3.545 30 20 CHED CCC(C)(C)c1ccc(CS(=O)(=O)CCCC#N)cc1 285242758 YZRTYAUWPXCAFZ-UHFFFAOYSA-N 293.432 3.593 30 20 CHED C=CCC(F)(F)c1nc(CC2CCCCC2)no1 551355739 OZOZWXVKDHVBQS-UHFFFAOYSA-N 256.296 3.860 30 20 CHED C[C@H]1C[C@H](CCN[C@@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 555235056 XFLNGQKCPQFHLN-FZKCQIBNSA-N 286.419 3.803 30 20 CHED C=CCN(C(=O)NCCc1ccc(Cl)c(C)c1)C1CC1 464487593 PGCIPHSZWIRWHN-UHFFFAOYSA-N 292.810 3.551 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(C#N)c(F)c1 464653491 RXZNXSMEHGPWQG-JTQLQIEISA-N 262.328 3.708 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(OCCF)c1 551836197 ODNOVSKRLVATSR-UHFFFAOYSA-N 265.328 3.576 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 286276089 WTXOWLFICJMQIR-KURKYZTESA-N 281.399 3.585 30 20 CHED C=CCC(C)(C)c1noc(C[C@H]2C[C@@H](C(C)=O)C2(C)C)n1 551497440 YWQYSRQVOFILKV-OLZOCXBDSA-N 290.407 3.717 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@@H]1CCCC[C@@H]1C 551182649 YNPABAMKACBTBK-KBPBESRZSA-N 251.414 3.921 30 20 CHED C=CCCC1(C(=O)NCCc2ccc(F)cc2Cl)CC1 476043556 RKAURLJKTIAODQ-UHFFFAOYSA-N 295.785 3.884 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)c1c(F)cccc1F 801656936 CPZALGPVRSZUPK-VHSXEESVSA-N 271.332 3.688 30 20 CHED C=CC[C@@H]1N(C(=O)c2[nH]c(C)cc2C)CCCC1(C)C 470267431 QAFUVFKUEVFDSM-AWEZNQCLSA-N 274.408 3.838 30 20 CHED C#Cc1ccc(CN(C)Cc2ccc(F)cc2F)cc1 809542629 DDMDIWRONPOUSL-UHFFFAOYSA-N 271.310 3.578 30 20 CHED C=CCN(CCC#N)C(=O)CCCc1ccc(Cl)cc1 292266330 GPQFZZXMOFSSEW-UHFFFAOYSA-N 290.794 3.591 30 20 CHED C#CCCCC(=O)N[C@H](C)c1ccc(F)c2ccccc12 807740742 XRVFLORJNABFBM-CYBMUJFWSA-N 283.346 3.960 30 20 CHED COc1cc(/C=C2/Cc3nc(Cl)ccc3C2=O)ccc1C 806577241 AQFOLMTVWZLWCF-GHXNOFRVSA-N 299.757 3.874 30 20 CHED C=CCCCCCN(C)C(=O)c1csc(C(C)=O)c1 293286487 XPERWGTWJMHMPQ-UHFFFAOYSA-N 279.405 3.769 30 20 CHED Cc1c(C(=O)NC[C@@H]2CC2(C)C)sc2ccc(C#N)cc12 567118471 XASOPQNFDHUCBD-LBPRGKRZSA-N 298.411 3.857 30 20 CHED Cc1ccnc(N2CCC[C@@H](Cc3ccccc3)C2)c1C#N 569883765 BZJMLVUUTSVSNJ-KRWDZBQOSA-N 291.398 3.721 30 20 CHED C=CCCCCNC(=O)N[C@H](C)[C@H](C)c1ccccc1 472775997 VTXRDRNWIVFOJP-LSDHHAIUSA-N 274.408 3.834 30 20 CHED Cc1cc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc(C)c1O 806579442 HKOUWJAUARSQSO-KPKJPENVSA-N 299.757 3.880 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cnccc1C#N 807581172 QITHPXLAVYONOX-CQSZACIVSA-N 287.407 3.680 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(CC)CCCC 568449466 HDOMKUBEBSWZII-CYBMUJFWSA-N 264.417 3.604 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OC[C@@H]1C[C@H]2CC[C@H]1C2 800013650 DWVJZRMATLWVGZ-KOZGWXNDSA-N 281.355 3.551 30 20 CHED C=CCn1c(CC)nnc1N1CCCC2(CCCCC2)C1 569261068 YJRYHPHIUHIGEK-UHFFFAOYSA-N 288.439 3.577 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1SC(C)C 473843853 QQGSUPCRVIFPDU-NSHDSACASA-N 264.394 3.883 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2ccnc(C#N)c2)n1 293113685 HDHNAMAHQNJJCY-BXUZGUMPSA-N 282.347 3.687 30 20 CHED C#C[C@H](N[C@@H](C)CCc1n[nH]c2ccccc12)C(C)(C)C 809781454 RMNKEQPEGYAIBR-GUYCJALGSA-N 283.419 3.522 30 20 CHED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCCC#N 298904534 MSOSNMWUBKNYDN-JTQLQIEISA-N 289.379 3.822 30 20 CHED N#Cc1ncccc1NC[C@H]1CCCO[C@@H]1c1ccccc1 290624919 LVUBPJDROATBQZ-CRAIPNDOSA-N 293.370 3.533 30 20 CHED Cc1cccc([C@@H](NCCO[C@@H](C)C#N)C(C)(C)C)c1 801938697 HULTXKUJYZTMAM-GOEBONIOSA-N 274.408 3.601 30 20 CHED CC[C@@H](CC#N)NCc1nc2cc(C(F)(F)F)ccc2o1 565169696 BJFJSFJTVPYRMB-JTQLQIEISA-N 297.280 3.628 30 20 CHED CCCCCC(=O)N[C@](C)(C#N)C1CCCCC1 561369572 HPFFURAFFMHIBN-OAHLLOKOSA-N 250.386 3.545 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccnc(OC(F)F)c2)no1 562898735 DHZQITCNHODSHE-AWEZNQCLSA-N 295.289 3.587 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC(C)C)C(CC)CC 481201231 JWYVUVVVISXNOA-CQSZACIVSA-N 269.429 3.641 30 20 CHED C#C[C@@H](NC(=O)Nc1cc(C)ccn1)c1ccc(Cl)cc1 810204813 ZPTNMWALZGAHGV-CQSZACIVSA-N 299.761 3.539 30 20 CHED C=CCn1cccc1C(=O)N[C@@H]1CCSc2ccccc21 488502820 UMRFTJLCVMUVGT-CQSZACIVSA-N 298.411 3.641 30 20 CHED C[C@@H](NN=C1CC(C)(C)Oc2ccccc21)c1ccncc1 819816209 HDUNSMFUAQUWGK-CYBMUJFWSA-N 295.386 3.698 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3ccc(C#N)nc3)C2)cc1 486470737 ZGIMNFVATXIYQD-GDBMZVCRSA-N 277.371 3.644 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(OCC)c1)OCC 569023275 FTEIMEUVOKQXJE-OAHLLOKOSA-N 291.391 3.704 30 20 CHED C=CCCCCOC(=O)C1(c2cccc(F)c2)CC1 811010166 LZJIJZCHZZPFNL-UHFFFAOYSA-N 262.324 3.757 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC[C@@H](C)C1)c1ccccc1 481141277 LNYJGVSXKSIMBM-CZUORRHYSA-N 272.392 3.578 30 20 CHED Cc1ccc(C=NOCCC2CC2)c(-c2cnn(C)c2)c1 814246070 CAMDVMRJIFOBHG-UHFFFAOYSA-N 283.375 3.546 30 20 CHED OCCC[C@H]1CCCCC1=NNCCCc1ccccc1 814837747 JGKAIUAIWMIQBF-QGZVFWFLSA-N 288.435 3.528 30 20 CHED C=CCCCCCCCN1C(=O)[C@H]2C[C@@H](C)CCN2C1=O 811841547 KMPQCDGVCYZUQF-LSDHHAIUSA-N 292.423 3.576 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCCCCC(=O)C1 486427429 XCECPYZESUOWQP-HNNXBMFYSA-N 279.424 3.731 30 20 CHED C=CCCCCCN(C)Cc1ccc(N(C)CC)nc1 483269883 OFOOICIOCZUWEG-UHFFFAOYSA-N 275.440 3.716 30 20 CHED Fc1cccnc1NN=Cc1cscc1C(F)(F)F 811649906 BPXIJQGDZGGVMR-UHFFFAOYSA-N 289.257 3.747 30 20 CHED Cc1ccc([C@H](C)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)o1 819736978 RPBXZOSCGNQWIP-KBPBESRZSA-N 296.370 3.783 30 20 CHED Cc1ccc2ncc(C#N)c(N3CC[C@@H](C)[C@@H]3C)c2c1 488113318 JCGWBYFMBKJKPM-OLZOCXBDSA-N 265.360 3.650 30 20 CHED CCCC(=NNc1ccc2[nH]ncc2c1)c1cccnc1 814900341 OKPDOSABLNQGGG-UHFFFAOYSA-N 279.347 3.574 30 20 CHED COc1cccc(O)c1C=Nc1cc(C)ccc1C 812387742 QWXPGGCLURZFLD-UHFFFAOYSA-N 255.317 3.768 30 20 CHED C=C[C@H]1CCCCN1c1ccc2cc(C#N)ccc2n1 579906477 DSXGATCZRCXGPA-HNNXBMFYSA-N 263.344 3.651 30 20 CHED Cc1cc(C(C)(C)C)ccc1OC(=O)c1cccc(C#N)n1 810523983 HIHCOBOXDGAPEU-UHFFFAOYSA-N 294.354 3.778 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCCCCC(=O)C1 811383356 DAZSRDULACBYGO-CQSZACIVSA-N 293.407 3.789 30 20 CHED C=CCCC[C@@H](C)NCc1cc(C(OC)OC)ccc1F 818200758 BMJPNROQNMAIGI-CYBMUJFWSA-N 295.398 3.952 30 20 CHED C=CCCCCOC(=O)c1c(-c2ccncc2)noc1C 811013131 LOAYNSRXWPAROR-UHFFFAOYSA-N 286.331 3.558 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C(C)C 812198374 YDWYKERKGCZUFV-YXJHDRRASA-N 298.430 3.609 30 20 CHED C=CCCCCCN[C@H]1CCCC[C@@H]1n1cccn1 488084323 GGNARDNCCOYWQR-HOTGVXAUSA-N 261.413 3.703 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCO[C@H](C2CC2)C1 657980936 UDNZBXQTKIIIHY-IWCQGFGOSA-N 263.425 3.669 30 20 CHED CC(C)(C)n1cc(C=NNc2ccc(F)c(F)c2F)cn1 814943735 ISKYKMHNXNUZLE-UHFFFAOYSA-N 296.296 3.501 30 20 CHED CCC(CC)Oc1ccc(C(=O)N[C@](C)(C#N)CC)cc1 579074579 OOUZWZVIAUNSIX-KRWDZBQOSA-N 288.391 3.676 30 20 CHED COc1cccc(NN=C(C)c2ccc(O)c(C)c2)c1 728226187 KGJVGBWANBOMEJ-UHFFFAOYSA-N 270.332 3.545 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1ccc(F)cc1 726739024 APOGASAKSQXTBG-UHFFFAOYSA-N 296.305 3.712 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H](F)C1 570566471 GTRFFJQLNODRFX-HOTGVXAUSA-N 290.382 3.665 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)NCC(C)(C)CC#N 822397946 AUFMGDAYWXTPJJ-UHFFFAOYSA-N 276.380 3.555 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccc(O)c(C)c2)c1 499906428 DCOHZUWHWSWQOF-UHFFFAOYSA-N 297.354 3.908 30 20 CHED Cc1ccc2oc(CN[C@H]3CC[C@@H](C#N)C3)cc2c1 573383506 DDGYIRCINMDBPA-OCCSQVGLSA-N 254.333 3.523 30 20 CHED C=CCn1cccc1C(=O)NC[C@H]1CCCCC(F)(F)C1 574352260 OELINIQJHSXWTN-ZDUSSCGKSA-N 296.361 3.620 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ncc(CCC)s2)C1 666582100 VSFGBARWAXPWRQ-GFCCVEGCSA-N 293.436 3.916 30 20 CHED CCCSCc1cc(C#N)ccc1Br 491995014 FAOVHQSKYPUPAK-UHFFFAOYSA-N 270.195 3.964 30 20 CHED N#Cc1cccc(COC(=O)c2ccc(C(F)F)cc2)c1 726665992 TVCBQUGTEUCOBG-UHFFFAOYSA-N 287.265 3.853 30 20 CHED N#CCCNc1ccc(N2CCCCC2)c2ncccc12 582416396 OPIYRNODMZIIPN-UHFFFAOYSA-N 280.375 3.551 30 20 CHED COCC1(C(=O)OCCCCC2(C#N)CCC2)CCCC1 909386235 GWNNGOFFNRSUHV-UHFFFAOYSA-N 293.407 3.601 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)CCCCCC#N)C1 588156804 BGQQRBLDEPHDHT-HUUCEWRRSA-N 264.413 3.791 30 20 CHED c1ccc(C[C@@H]2CCCC2=NNc2ccccn2)cc1 735609943 HRWPLEHNTUHXBV-HNNXBMFYSA-N 265.360 3.892 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2nc3ccccc3[nH]2)o1 732762379 XQQWXQAMZPOPON-ZYHUDNBSSA-N 280.331 3.725 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)CCCCCC#N 588166036 JNJUYSDZFPKCJR-ILXRZTDVSA-N 264.413 3.649 30 20 CHED O=C1/C(=C\c2ccsc2)CCOc2cc(F)ccc21 588419543 UWUVJWXIJAWQMK-XFFZJAGNSA-N 274.316 3.936 30 20 CHED CC1(C#N)CCC(N[C@H](c2ccccn2)C2CC2)CC1 903336114 WFXLOFKXAWWODI-WIHSUSGWSA-N 269.392 3.595 30 20 CHED C=CC[C@@H]1CCCN(Cc2cc3cnccc3o2)C1 668492933 HVIDYCFPMKJFCX-CYBMUJFWSA-N 256.349 3.616 30 20 CHED C=CCOc1cccnc1C(=O)OCCC1=CCCCC1 835719347 PMWDHPGRSBHFRV-UHFFFAOYSA-N 287.359 3.694 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)CCSc1ccccc1 582011673 KCEFWVBXRXNWFQ-KBPBESRZSA-N 262.422 3.839 30 20 CHED C=CCn1cccc1C(=O)N(C)C1C2CC3CC(C2)CC1C3 490060414 XGRFAMOQJVGSFV-UHFFFAOYSA-N 298.430 3.571 30 20 CHED C[C@H](C[C@@H]1CCOC1)Nc1cc(C#N)ccc1C(F)(F)F 589583424 BAJMRAXPXBJIHC-PWSUYJOCSA-N 298.308 3.804 30 20 CHED CSc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)o1 732902841 NJRQVTXDKCTMTJ-SNVBAGLBSA-N 287.340 3.791 30 20 CHED C=C[C@H](CC)Cc1nc(-c2nnc(-c3ccccc3)o2)no1 904063778 FYUZYYGUHWPQJA-LLVKDONJSA-N 296.330 3.541 30 20 CHED Cc1nc(NC(=O)CCCC#N)sc1Cc1ccccc1 589692804 CAUXGQSNAWONLC-UHFFFAOYSA-N 299.399 3.675 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)CCCCCC#N 588156406 DSGXRUKAJDOOMW-MRXNPFEDSA-N 272.392 3.598 30 20 CHED C#CC[C@H](NC(=O)C1CCC2(CC1)CC2)c1ccccc1 831232323 SCQBUMRMXPUHAQ-KRWDZBQOSA-N 281.399 3.838 30 20 CHED CCSc1cccc(C=NN[C@@H](C)C(F)(F)F)c1 834997542 DKBFGVCOCABKGR-VIFPVBQESA-N 276.327 3.673 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Cc1cccc(C)c1 588370471 XBBMPFGKXQUKST-UHFFFAOYSA-N 293.410 3.795 30 20 CHED Cc1cccc(/C=C\C(=O)c2cnn(C(C)C)c2)c1F 834420269 CYXXDTIVQUJFNA-FPLPWBNLSA-N 272.323 3.808 30 20 CHED COc1cccc(O)c1/C=N/CC(C)(C)c1cccs1 733902881 CILRFVHRMRCDJQ-LICLKQGHSA-N 289.400 3.859 30 20 CHED CCC1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCCC1 581475723 VCGFKSLRBIMJKQ-DLBZAZTESA-N 296.414 3.891 30 20 CHED C=C(Cl)CNC(=O)c1oc2c(C)cccc2c1C 736242525 LWXWUGWEMUSJNR-UHFFFAOYSA-N 263.724 3.532 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N[C@@H](C#N)C(C)(C)C 583442308 ZEMFAKCKPGQRTM-KGLIPLIRSA-N 264.413 3.813 30 20 CHED C=C1CC(c2noc(-c3cc4c(OC)cccc4[nH]3)n2)C1 903741083 APPTXDUOHATVAR-UHFFFAOYSA-N 281.315 3.660 30 20 CHED C=C(Cl)CN[C@H](C)c1nc(-c2ccc(CC)cc2)no1 839556824 RJPWYXQEHJJMMJ-LLVKDONJSA-N 291.782 3.702 30 20 CHED C[C@H](CCC1CCCCC1)/N=C\c1ccc(O)c(O)c1O 734303398 NEDBFAFUOIUTKH-OTWJJXBCSA-N 291.391 3.971 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@H]1CCC(C)C)C(=O)O 901689783 GRYOQXKHZMLDCR-KKUMJFAQSA-N 267.413 3.600 30 20 CHED C=C(Cl)CN[C@@H](CCCCOC)c1ccccc1 839587900 PREMWZKUXBUPLD-HNNXBMFYSA-N 267.800 3.887 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCC1(C#N)CCCCC1 588411605 DIVOMACVXNZIML-HJWRWDBZSA-N 294.354 3.589 30 20 CHED CC(C)(C)C#CC(=O)NCCc1ccc2ccccc2c1 837340195 CRYFTGDJBIUPJV-UHFFFAOYSA-N 279.383 3.548 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 839035517 YGUNWAFYCYLKLI-QJPTWQEYSA-N 276.298 3.700 30 20 CHED CCN(CC)c1ccc(/C=N\Cc2ccsc2)c(O)c1 915980677 YRGNGJAIVWXEDH-BOPFTXTBSA-N 288.416 3.919 30 20 CHED C=CCN1CCC[C@@H]1c1ccccc1Br 674869310 WRRLIXXWKSMCDA-CYBMUJFWSA-N 266.182 3.772 30 20 CHED CSCC1CCC(=NN=c2cc[nH]c3ccccc23)CC1 834955260 KEHRNEZXYHPDDL-UHFFFAOYSA-N 299.443 3.978 30 20 CHED C[C@H]1CCCCC1=NNC(=S)Nc1ccccc1F 915920604 HBOHLRJLJYUDFA-JTQLQIEISA-N 279.384 3.678 30 20 CHED COCCOc1ccc(C(C)=NNc2cccc(C)c2)cc1 915936247 RNXHHGOSOGQZKK-UHFFFAOYSA-N 298.386 3.856 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H](C)c2cccc(OC)c2)c1 917558766 XXPURGGPRSWAMD-CQLSMYGBSA-N 299.370 3.980 30 20 CHED Fc1cccc(Cl)c1C=NNc1ccc(Cl)nc1 743450855 RTYCBMWBLDHESJ-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CO[C@@H](C=NNc1ccccc1Cl)CC(C)C 841602541 JMBQPRQVDUNSBR-LLVKDONJSA-N 254.761 3.799 30 20 CHED C#CC[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C 842336873 YIZZPDWKDQWISN-GVDBMIGSSA-N 295.382 3.643 30 20 CHED CCC(=NNCC(F)F)c1ccc(Cl)cc1Cl 740616087 GNHKQAZSXJPGJA-UHFFFAOYSA-N 281.133 3.962 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2)c(F)c1 916268169 NNRANAVKQAOGQY-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C=CCC(C)(C)COC(=O)c1cccc(SC)n1 842806711 NNSGDSMAKPRAAD-UHFFFAOYSA-N 265.378 3.563 30 20 CHED C=CCC[C@@H](NC(=O)N1CC=CCC1)c1ccccc1 679303682 WPXZNNMVDNFNIN-MRXNPFEDSA-N 270.376 3.665 30 20 CHED CC/C(=C\C(=O)N(CCC#N)C(C)C)c1ccc(C)cc1 741680827 KEKRXEUUJPLVFS-DTQAZKPQSA-N 284.403 3.939 30 20 CHED CC(C)Cn1nccc1/C=C1\Cc2cc(F)ccc2C1=O 843268024 GLBWDNMIUYGIMU-UKTHLTGXSA-N 284.334 3.501 30 20 CHED CCOc1cccc(C=NOCC(C)C)c1OC(F)F 749631029 GOHOZYOWOOODHS-UHFFFAOYSA-N 287.306 3.693 30 20 CHED CCC[C@@H](C)CC(=O)OCc1ccc(C#N)cc1F 748958575 NFUVVJHZLPGZJG-LLVKDONJSA-N 263.312 3.567 30 20 CHED C=C[C@H](CC(=O)O[C@@H]1CCC(C)(C)C1=O)c1ccccc1 840381416 DIHCZVXBQJTYDH-UKRRQHHQSA-N 286.371 3.647 30 20 CHED C[C@H]1CCC[C@H](CNc2snc(Cl)c2C#N)C1 919802338 LXLZKIKIKVZOQB-IUCAKERBSA-N 269.801 3.906 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 594258091 MCYKNNIIOGQGJF-MAUKXSAKSA-N 298.430 3.774 30 20 CHED Cc1cc(N)cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 591580320 HQPLTXOZKVEIEB-LJQANCHMSA-N 291.398 3.616 30 20 CHED C/C(=C\C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 917644673 FSGQMUIOIFZGEF-OKFGHLOFSA-N 290.366 3.839 30 20 CHED CC[C@H](C)CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 597978230 NVQJOTSPGOQPJV-LBPRGKRZSA-N 290.382 3.527 30 20 CHED CC#CCCN(Cc1cccc(OC)c1)CC(C)C 680883298 IYMRTKHMYJBXTR-UHFFFAOYSA-N 259.393 3.567 30 20 CHED CC[C@@H](C#N)C(=O)NCC(C)(C)CCCc1ccccc1 593472025 VUKGACPXAZWROD-INIZCTEOSA-N 286.419 3.701 30 20 CHED C/C(=C/C(=O)Nc1nc(Cl)c(C#N)s1)C(C)(C)C 841224436 PJHGKTRONAIZEQ-ALCCZGGFSA-N 283.784 3.599 30 20 CHED CO[C@H](C#N)c1ccc(-c2ccc(N3CCCC3)nc2)cc1 844228359 FYWZMWGUFVNCKB-QGZVFWFLSA-N 293.370 3.560 30 20 CHED C=C[C@@H](C)ONC(=O)c1sc(C2CCCCC2)nc1C 846547156 CDKHKNPOFZTLCU-SNVBAGLBSA-N 294.420 3.735 30 20 CHED CCN(CC#N)C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 596916302 JMIGQWZPWFYGMH-HNNXBMFYSA-N 292.810 3.842 30 20 CHED CCCC[C@H](CC)C(=O)OCC(=O)c1cccc(C#N)c1 748259412 OBHVASXXLXRBAY-AWEZNQCLSA-N 287.359 3.501 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CC[C@H](C)C2)c1 742371016 FSRLKSAJPDKOHF-NUEKZKHPSA-N 272.392 3.646 30 20 CHED CCCCCCCCCCN1CC[C@@H](C)[S@](=O)CC1 759871778 WOYAOFQCYFUSOL-VQIMIIECSA-N 287.513 3.970 30 20 CHED CSC1CC(N[C@H](CCC#N)c2ccccc2)C1 925601667 MZTWSMUOADZWPL-YMAMQOFZSA-N 260.406 3.515 30 20 CHED C=CCCC(C)(C)NC(=O)/C=C\c1ccc(Cl)nc1 856373853 BQGAXNQFDKFBKQ-CLFYSBASSA-N 278.783 3.609 30 20 CHED C=CCC1(NCc2ccc(O[C@H](C)C#N)cc2)CCCC1 850388901 OYFBZFJVBMFDEI-OAHLLOKOSA-N 284.403 3.956 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ncccc1[N+](=O)[O-] 759202530 ZBEDAGBALVVEMW-SNVBAGLBSA-N 264.329 3.604 30 20 CHED CCSc1cc(C(=O)O[C@H](C)CC(C)(C)C#N)ccn1 851207571 ZISLBEXGSWJBNU-LLVKDONJSA-N 292.404 3.679 30 20 CHED C=CCCCN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1335059378 FKENIVDBPXGZQJ-CQSZACIVSA-N 269.392 3.709 30 20 CHED Cc1cccc2c1OCCC2=NNc1ccccc1[N+](=O)[O-] 920355877 HAAQBGFLELPNOK-UHFFFAOYSA-N 297.314 3.502 30 20 CHED C#CCCCC(=O)Nc1cccnc1Oc1ccccc1 758036242 VBKXFFXYSRHBHP-UHFFFAOYSA-N 280.327 3.616 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cccc(N3CCCC3)c2)C1 851083131 FSVUMRFUCGRTQD-YOEHRIQHSA-N 298.386 3.526 30 20 CHED Fc1ccccc1C=NNCc1cccc(Cl)c1 756833012 YKKWLWQGTGBCES-UHFFFAOYSA-N 262.715 3.603 30 20 CHED CC/C(=C\C(=O)O[C@@H](C#N)CC)c1ccc(C)cc1 753415762 KICHUFCKYJWBAE-NRMKIYEFSA-N 257.333 3.634 30 20 CHED C[C@@]1(C(=O)OCc2ccc(CC#N)cc2)C[C@H]2CC[C@H]1C2 860190098 OTCAIGFXKFUIKC-XYJFISCASA-N 283.371 3.622 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H](C)c1cccc(C)c1 767152089 JEAYGPCKRZBQBH-CYBMUJFWSA-N 297.320 3.513 30 20 CHED COc1ccc(NN=Cc2ccc(C)cc2C)c([N+](=O)[O-])c1 767801948 YEWBCSOMGUQDRO-UHFFFAOYSA-N 299.330 3.666 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)c2cc(C)oc2C)c1 1351960114 DFIVUGXNSVWRPZ-NSHDSACASA-N 255.321 3.645 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C\c2csnn2)cc1 863197486 RTDLUDVLUPIHRY-IQQGHNRFSA-N 272.373 3.948 30 20 CHED C#CCOc1cccc(-c2noc(/C=C(\C)C3CC3)n2)c1 761783227 PXSCZYOTAXFLBD-ZRDIBKRKSA-N 280.327 3.562 30 20 CHED N#Cc1ccc(NN=Cc2cc(F)cc3cccnc23)cc1 760242912 LNBMFKPBAAVKDQ-UHFFFAOYSA-N 290.301 3.692 30 20 CHED CCC/C(C)=C/C(=O)Nc1nc2cc(C#N)ccc2n1CC 764513972 NFEKFDCLDAKHRW-FMIVXFBMSA-N 296.374 3.613 30 20 CHED CC(Cc1cccs1)=NNc1ccc(F)c([N+](=O)[O-])c1 769828188 DNQQTTLLSOUVFI-UHFFFAOYSA-N 293.323 3.826 30 20 CHED CC(C)CN(CCC#N)Cc1ccc([C@@H]2C[C@H]2C)o1 768153522 HPVROSJDHUGOFZ-UKRRQHHQSA-N 260.381 3.775 30 20 CHED CC(=NNc1ncnc2sccc12)c1ccc(C)cc1O 767186429 BJIKPCGFJTUTCI-UHFFFAOYSA-N 298.371 3.541 30 20 CHED N#Cc1cc(NC/C=C/Cl)ccc1C(F)(F)F 766776618 XNOGTMWSJFRTLA-DAFODLJHSA-N 260.646 3.741 30 20 CHED COc1cc(C#N)ccc1CNc1ccccc1NC(C)C 864042152 YIDQLMKAKGESSL-UHFFFAOYSA-N 295.386 3.999 30 20 CHED C#CCCOc1ccc(CN(C)[C@H](C)CCC)cc1 768337918 JGSWIPQXDVRYBZ-OAHLLOKOSA-N 259.393 3.709 30 20 CHED N#CCCCCOC(=O)CCc1ccccc1C(F)(F)F 869664498 OGKLEOGPLDLKSJ-UHFFFAOYSA-N 299.292 3.875 30 20 CHED CC1(C)CCCN(Cn2ccc(-c3ccccc3)n2)[C@@H]1C#N 766115972 XSXQGTBRAJTFKU-QGZVFWFLSA-N 294.402 3.522 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(F)(F)F)nn2)C[C@H]1C 767386852 FBRVNBWMFSDUGV-DTWKUNHWSA-N 286.301 3.719 30 20 CHED CN(Cc1cc2ccccc2[nH]1)c1cccc(F)c1C#N 1116227820 VMIFZKMGVATOAF-UHFFFAOYSA-N 279.318 3.815 30 20 CHED Cc1ccc(Br)c(NCC(C)(C)CC#N)n1 865869308 ANZGQYQHJQHLSQ-UHFFFAOYSA-N 282.185 3.504 30 20 CHED CC(=Nn1cnc2ccccc21)c1ccc(C(C)(C)O)cc1 767360831 MIEGXYSOXRRBSJ-UHFFFAOYSA-N 293.370 3.536 30 20 CHED CSC(C)(C)CCNC1(c2cccc(C#N)c2)CC1 877116348 NNOBDPJPCQCQQR-UHFFFAOYSA-N 274.433 3.669 30 20 CHED C#CCCCCCCNCCC[C@H]1CCCCO1 877352339 FCGAWSXHUOAAFN-MRXNPFEDSA-N 251.414 3.509 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cccc(F)c2F)c(F)c1 776268015 JJWXPYRCTKCDTM-VOTSOKGWSA-N 287.240 3.872 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1ccccc1C#N 776782983 QNYHVERFAMRLPK-UHFFFAOYSA-N 286.338 3.861 30 20 CHED COc1ccc(Br)c(C=NOC(C)(C)C)c1 1116404153 BZFQUCPATVJLEC-UHFFFAOYSA-N 286.169 3.607 30 20 CHED C=C(C)CNC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 777833826 KVPDHSTWVOQEMV-DHZHZOJOSA-N 283.293 3.801 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(C)c2ccc(C#N)c(Cl)c2)C1 876167008 IKTFIPIDFWTNSH-MNOVXSKESA-N 276.767 3.611 30 20 CHED CS[C@H](C)CCC(=O)[C@H](C#N)c1nc2ccccc2o1 773760704 KGHHZGOTSYRAKS-MNOVXSKESA-N 288.372 3.536 30 20 CHED CCCCCCCc1nc(-c2ccncc2OC)no1 771541841 HQBJJEHETOKBKI-UHFFFAOYSA-N 275.352 3.653 30 20 CHED CN(C)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 777843672 GQUOXIZFRUYKRM-UHFFFAOYSA-N 299.761 3.530 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1cc(C)ccc1F 775433134 PXNHJQPUIBPNRT-UHFFFAOYSA-N 298.317 3.790 30 20 CHED C=C(CC)COC(=O)c1cnc(Cl)c(Cl)c1 773475918 DXUIHERXKYJHND-UHFFFAOYSA-N 260.120 3.511 30 20 CHED C=C[C@H](C)Nc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882081453 FQHZRKBAFGYUIG-DCXZOGHSSA-N 278.299 3.598 30 20 CHED C=C1CCC(C(=O)Nc2ccc(-n3ccnc3)cc2)CC1 887889291 GVFIUJHVVCNVGC-UHFFFAOYSA-N 281.359 3.557 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)c(F)c1 772798212 UBRAQIDUFQMNLF-GQCTYLIASA-N 287.240 3.872 30 20 CHED C=CCCC[C@H](NC[C@H]1CC[C@H](O)C1)c1ccccc1 883218360 YWEIXHBCJQMPFI-SZMVWBNQSA-N 273.420 3.835 30 20 CHED Cc1oc(C(C)C)cc1C(=O)O[C@@H]1CC[C@@H](C#N)C1 1122646518 FDVIEJLTNQJJFY-VXGBXAGGSA-N 261.321 3.561 30 20 CHED C/C=C(\CC)C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1123347035 QSTHBOWQDAVOHF-OTVCUZDGSA-N 287.750 3.749 30 20 CHED C(#C[C@H](C1CCCCC1)N1CCCCC1)c1ccccn1 98179924 PNWMLCMUUCNKIW-LJQANCHMSA-N 282.431 3.868 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)C=C1CCC1)c1cccs1 1123105574 GYTMXRFTTUCDEO-IUODEOHRSA-N 275.373 3.992 30 20 CHED N#CC1(CCCC[S@](=O)c2cc(F)ccc2F)CCC1 899276105 ITMYPQSDRGCDFW-FQEVSTJZSA-N 297.370 3.937 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C\c1ccc(Cl)nc1 784405471 QZLRMLVKFYPZOQ-ALCCZGGFSA-N 292.766 3.621 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cccc(OC(F)F)c1 785758906 ZOAJTYLZFHFDHQ-HNNXBMFYSA-N 284.302 3.934 30 20 CHED CC(C)(C)CCNN=C[C@H]1CCOc2ccccc21 782903714 ZVZWCGZYAQXWFD-CYBMUJFWSA-N 260.381 3.564 30 20 CHED CCc1cccc(NC(=S)N2CCC[C@@](C)(C#N)C2)c1 783774437 VKHXFENGYVPHJU-INIZCTEOSA-N 287.432 3.571 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccc(C)s3)cn2c1 789128739 BFOKWZDDQDFBEK-AATRIKPKSA-N 282.368 3.909 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2ccccc2C#N)C1 76069627 PWVWTDCGTSMSFI-CVEARBPZSA-N 274.433 3.664 30 20 CHED C=CCC1(CNCc2cn(C)nc2C2CC2)CCCC1 894754211 RBVAQHNQTZNFAB-UHFFFAOYSA-N 273.424 3.524 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2cccc(OC)c2)CCCCC1 788173912 XZNODAPYHJKDIH-HNNXBMFYSA-N 299.414 3.846 30 20 CHED CCc1ccc(C(=O)/C=C\c2cnn(CC3CCC3)c2)o1 899362328 QEHCSUZVGUIZPN-VURMDHGXSA-N 284.359 3.735 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1coc(C(C)(C)C)n1 899421649 HFTNEQVDOKFKGY-FQEVSTJZSA-N 296.436 3.551 30 20 CHED C=C1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 893106480 MDBYEFOEQAIBNW-GOEBONIOSA-N 291.341 3.683 30 20 CHED CCCCCCC[S@@](=O)Cc1cc(C)cc(C)n1 899439307 BJRMSHOBJRCGOB-GOSISDBHSA-N 267.438 3.918 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(O)cc2)c(Cl)c1 796969011 POCBQCSUQGTCGJ-WEVVVXLNSA-N 288.730 3.950 30 20 CHED COc1ccc(C(=O)/C=C/c2ccsc2)c(C)c1OC 794738483 KYWVHLJKWPHDFL-GQCTYLIASA-N 288.368 3.970 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](C)c1c(F)cccc1Cl 791025759 GBDXZXLQHYFVMU-WDEREUQCSA-N 296.773 3.641 30 20 CHED FCC[C@H]1CCCC1=NNc1c(F)cccc1F 794908447 KBWICHDIWJZZRI-SECBINFHSA-N 256.271 3.892 30 20 CHED CC[C@H](C)NN=Cc1ccc(N(C)c2ccccc2)nc1 797788780 USZCONIGTWUSIT-AWEZNQCLSA-N 282.391 3.572 30 20 CHED C#CCN(CC1CC1)C(=O)CCCC1CCCCC1 704363040 JNCXMMOPQOKKFU-UHFFFAOYSA-N 261.409 3.609 30 20 CHED Cc1ccccc1[C@@H](C)N(CCO[C@@H](C)C#N)CC(C)C 792923186 BJWKQTUVNOTMIG-DLBZAZTESA-N 288.435 3.943 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C\c1nc2ccccc2s1 798551100 LWTLHXQORRAHOX-WEHUKYGOSA-N 286.400 3.780 30 20 CHED CCCCCCCCC(=O)N(C)c1nnc(C)s1 794019699 XVSSBGXLJUCRFG-UHFFFAOYSA-N 269.414 3.560 30 20 CHED C#CCCCCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 710309378 QPRDJTIJFHUEKH-PBHICJAKSA-N 261.409 3.607 30 20 CHED COc1cc(F)cc(NN=C(C)c2cc(C)c(C)o2)c1 799881223 MOQHVMXFDVHPDD-UHFFFAOYSA-N 276.311 3.880 30 20 CHED FC(F)(F)CCNN=Cc1c(Cl)cccc1Cl 794553762 YRUAGMVCADTGCB-UHFFFAOYSA-N 285.096 3.869 30 20 CHED CC(=NNc1cccc(Cl)n1)c1sccc1C 793162946 UDOYLYPBMCCCLY-UHFFFAOYSA-N 265.769 3.941 30 20 CHED N#CCN(C(=O)c1ccc(Cl)cc1Cl)C1CCCC1 78003227 MNSLBTVANBCFDU-UHFFFAOYSA-N 297.185 3.902 30 20 CHED CCCCCCCCN(C[C@H]1CCOC1)C1CC1 740875043 ZZVUULAFPIWBPP-OAHLLOKOSA-N 253.430 3.848 30 20 CHED C=CCSCCN[C@H](CC)c1ccc(C)cc1O 794809227 DNPQLTIIHASVEB-CQSZACIVSA-N 265.422 3.661 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1c1cccc(C)c1C 791059930 WSSPOTLRVOOTCO-FUHWJXTLSA-N 298.430 3.952 30 20 CHED COc1cccc2c1CCC2=NNc1cccc(Cl)n1 793173690 BDDMUCLAXPICNR-UHFFFAOYSA-N 287.750 3.506 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@H]1CCCSC1 658016303 WMLCPXMHPVELBM-RBSFLKMASA-N 253.455 3.854 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1cccc3ccccc13)C2=O 794962795 XPKYFQQPMVQLST-RVDMUPIBSA-N 288.350 3.786 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 661376266 ACHOPIRTTWERBX-GFCCVEGCSA-N 289.404 3.586 30 20 CHED COc1ccc(CCNc2cc(C#N)ccc2C)cc1 88101896 XBDANHKQXSXZIW-UHFFFAOYSA-N 266.344 3.530 30 20 CHED CCCCCCCCCCC(=O)N1C[C@@H](O)C(C)(C)C1 791082318 JGYDPWPDHJGFAE-OAHLLOKOSA-N 283.456 3.747 30 20 CHED CC[C@@H](C)[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)OC 1165764985 XPQRDDLEIQBINJ-NOZJJQNGSA-N 297.807 3.891 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(O)cc2OC)cc1 1317742270 XTOYKBZJIYVZLL-XFFZJAGNSA-N 298.338 3.696 30 20 CHED COc1cc(F)cc(N=Cc2cc3ccccc3nc2O)c1 1319280341 NQRHITZSRMJCCC-UHFFFAOYSA-N 296.301 3.839 30 20 CHED Cc1nsc(N[C@H]2C[C@@H]2C2CCCCC2)c1C#N 1612050949 QWCYRBFOWAFWHH-YPMHNXCESA-N 261.394 3.704 30 20 CHED N#CC1(CC(=O)OCc2ccnc(Cl)c2)CCCCC1 1327235793 LNIRFHOOUJDSQM-UHFFFAOYSA-N 292.766 3.642 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1322689931 VRXPAPKKCUSWIX-GOEBONIOSA-N 282.387 3.519 30 20 CHED CC(C)(C)ON=C1CCC(CNC(=O)OC(C)(C)C)CC1 1323517384 HRYAAEWNOKRPAU-UHFFFAOYSA-N 298.427 3.872 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(F)cc(Cl)c2)c1 1528802945 XIBOKAXYIPUVGL-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1c(F)cccc1SCOC1CCCC1 1327218671 OFEMKOXOFJTUOY-UHFFFAOYSA-N 251.326 3.706 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CNCc1cccc(OCC#N)c1 1321387409 SGTZFARNNYEGBW-QAPCUYQASA-N 284.403 3.671 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ccc2c(c1)CCC2 1327030486 BMZHDFCBYNPNQB-LUAWRHEFSA-N 273.335 3.943 30 20 CHED CC(C)CC(=NNc1ccn(C)n1)c1ccc(Cl)cc1 1338903203 INFILXPHIPTJDP-UHFFFAOYSA-N 290.798 3.936 30 20 CHED N#CCC[C@H](Nc1cc(C(F)F)ncn1)c1ccccc1 1333723718 IXONAXACSWTIGI-LBPRGKRZSA-N 288.301 3.871 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(F)ccc2F)c1 1264218892 QJWBJYQKAWBDEX-UONOGXRCSA-N 298.292 3.579 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cc2cc(C)c(C)cc2o1 1342733388 QBKUKXJVSVONKT-DZGCQCFKSA-N 273.376 3.901 30 20 CHED N#C[C@H](C(=O)[C@H]1CC12CCC2)c1nc2cccc(Cl)c2[nH]1 1349759820 CSEZYTXUIINESV-NXEZZACHSA-N 299.761 3.583 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCCc1c[nH]c2ccccc12 1262813376 WEYMWEGEVKNXOZ-OAHLLOKOSA-N 297.402 3.641 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccn2cc(C)nc2c1 1345349455 LYRBKVKNVRWQDM-OAHLLOKOSA-N 298.390 3.605 30 20 CHED C=C(CC)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C 1263765517 SRLHDPSOSMGSAY-UHFFFAOYSA-N 285.347 3.512 30 20 CHED CC[C@H](F)C(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1344256452 DVKBZGVFIBNKOX-NHCYSSNCSA-N 269.341 3.630 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1cc(C#N)ccc1F 1351620736 LNPQGHWCMVYQPZ-UHFFFAOYSA-N 296.345 3.750 30 20 CHED CC[C@H](CC(C)C)C(=O)OCc1ccc(CC#N)cc1 1458305940 KHNWRJZHXYBTIE-MRXNPFEDSA-N 273.376 3.868 30 20 CHED C[C@H](CC(=O)N1CCc2c(C#N)cccc21)CC(C)(C)C 1526016827 DMZQWNPVTODIFW-CYBMUJFWSA-N 284.403 3.910 30 20 CHED C=C(CC(C)C)C(=O)NC1CCN(C2CCCCC2)CC1 1521178059 UPPUBCPUWNBCCF-UHFFFAOYSA-N 292.467 3.502 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2ccsc2C#N)ccc1F 1527144160 MGQVANLIUZYZCS-SNVBAGLBSA-N 288.347 3.558 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(F)c(C#N)c1 1529689997 FJUJZUHIHKGDFN-CYBMUJFWSA-N 296.345 3.823 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)c1ccc(C#N)c(Cl)c1 1528168854 FQNAFATZZYNGFT-SNVBAGLBSA-N 278.783 3.766 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1ccc(C#N)cc1F 1526814922 MCXZMYXLRXRRNG-UHFFFAOYSA-N 298.317 3.737 30 20 CHED Cc1cc(SCc2cc(C(=O)O)cs2)ccc1C#N 1607710660 QCEYIMHXTHRXQS-UHFFFAOYSA-N 289.381 3.919 30 20 CHED CSc1cc(C)c(C(=O)Nc2cc(C#N)ccc2F)o1 1460793228 WCWMCDGQHFROEI-UHFFFAOYSA-N 290.319 3.573 30 20 CHED CSc1cc(C(=O)Nc2scc(C)c2C#N)c(C)o1 1539626772 JMYCRPGQRGDDFC-UHFFFAOYSA-N 292.385 3.804 30 20 CHED CN(c1ncccc1C#N)[C@@H]1CCC[C@@H]1c1ccccc1 1472802926 OGCLRVPCUKWDTA-IAGOWNOFSA-N 277.371 3.726 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cccc(-c2cscn2)c1 1611393639 GHFXPYPPYMNAIN-AWEZNQCLSA-N 299.399 3.574 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCc1ccc(OCC#N)cc1 226170230 SALNXQLCQGEFGQ-JKIFEVAISA-N 272.392 3.503 30 20 CHED CN(Cc1cc(F)cc(F)c1)[C@H](C#N)c1ccccc1 1473446826 UUDMNLJOBJZVHD-MRXNPFEDSA-N 272.298 3.661 30 20 CHED CC1(C)CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 1629009134 SIZMUMXQOIQJEN-QGZVFWFLSA-N 298.430 3.798 30 20 CHED N#Cc1cnc(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 1651815425 YYJWFVXHIGDSLP-ZFWWWQNUSA-N 299.324 3.980 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1ccc(C#N)c(F)c1 1583081422 OZHXQNGDQPVAAH-UHFFFAOYSA-N 286.281 3.706 30 20 CHED Cc1cc(N2C[C@@H](c3ccccc3C)C[C@H]2C)ncc1C#N 1655173824 OTLQKOOFTZZHKD-CVEARBPZSA-N 291.398 3.953 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)cc(C#N)c1 1662637503 HDMWXNBDZXJNEC-ZBFHGGJFSA-N 285.391 3.957 30 20 CHED Cc1cc(CN2CCSC[C@@H]2C2CCC2)ccc1C#N 1665042089 USFADEUOJDEXMH-QGZVFWFLSA-N 286.444 3.584 30 20 CHED Cc1ccc(CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 6233802 LAPPJSPILMGEKT-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C[C@@H]1/C(=C\c2ccc(/C=C/C(=O)O)o2)C(=O)c2ccccc21 1777407816 IFLXUNMERZPMBF-RMPLJOKMSA-N 294.306 3.761 30 20 CHED Cc1cccc(C)c1C=NNc1cccc(C(=O)O)c1C 1776087532 IBCQLWVZLWRTAR-UHFFFAOYSA-N 282.343 3.756 30 20 CHED C=C(Cl)CNC(=O)NCC1(C)CCC(C)(C)CC1 1683217905 XAIZZNYHIOMFRN-UHFFFAOYSA-N 272.820 3.645 30 20 CHED CC(Cc1ccccc1C)=NNc1ccc(CC(=O)O)cc1 1776084295 GTWSMWISDPKBFX-UHFFFAOYSA-N 296.370 3.653 30 20 CHED C=C(C)CN(C)[C@H](C(=O)O)c1c(Cl)cccc1Cl 1776139589 SOZDXJICUQMPSF-LBPRGKRZSA-N 288.174 3.627 30 20 CHED CC1(C)CCC/C(=C\c2ccc(C(=O)O)s2)C1=O 1776548704 ZTFBFKAUEZAHMJ-CMDGGOBGSA-N 264.346 3.609 30 20 CHED CC(Cc1ccsc1)=NNc1ccc(C(=O)O)c(F)c1 1776074003 BGFTVKZVHJXVDO-UHFFFAOYSA-N 292.335 3.616 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 14179278 UTPCUFJINZKPIO-QPJJXVBHSA-N 269.250 3.733 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1ccc2c(c1)CCO2 14202542 INARUZZTYVUPIF-GQCTYLIASA-N 268.287 3.657 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1ccc(F)cc1F 150888414 UQSDPPHPPPKXNB-UHFFFAOYSA-N 296.361 3.582 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)c(C)cc1Cl 157656914 GBKKWVNUPBKVBM-UHFFFAOYSA-N 273.163 3.952 30 20 CHED Cc1cc(F)ccc1C(=O)N[C@H](CCC#N)c1ccccc1 153748931 MCTUWTWFCVBRBT-QGZVFWFLSA-N 296.345 3.909 30 20 CHED Cc1cc(CN(C)Cc2cc(C#N)ccc2F)ccc1F 155400519 NQVCVQYACDGAGD-UHFFFAOYSA-N 286.325 3.777 30 20 CHED CC[C@H](C#N)NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 157989040 GIIRIWZZVQGELB-XJKSGUPXSA-N 272.392 3.722 30 20 CHED CC(C)(C)c1ccc(NCc2cc(C#N)ccn2)cc1 901364928 WXDQRMAZSRXUAE-UHFFFAOYSA-N 265.360 3.863 30 20 CHED N#Cc1cc2ccccc2nc1N[C@@H]1CCC[C@@H](F)C1 1261452361 BDQNNLQLBRLGFH-ZIAGYGMSSA-N 269.323 3.799 30 20 CHED C#CCCCCNCc1nc(-c2ccccc2)cs1 150729981 XZSJDTNTQXTIAT-UHFFFAOYSA-N 270.401 3.703 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1 151172266 XDJRAMFUYXECII-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1ccc(C(=O)COc2ccc(C#N)cc2Cl)cc1 25801267 BMQYQVPSNXFWNJ-UHFFFAOYSA-N 285.730 3.782 30 20 CHED N#Cc1cc(NC(=O)c2cc(F)ccc2F)ccc1Cl 53887988 RIZHIPYVROOIID-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC[C@@H](CC#N)NCc1ccc(-c2ccc(F)cc2)o1 54182832 FWOQDZXHRHUNPQ-AWEZNQCLSA-N 272.323 3.868 30 20 CHED CCC1(C)CCN(Cc2ccc(CC#N)cc2)CC1 398985787 HZGBZLFYQPEEJB-UHFFFAOYSA-N 256.393 3.765 30 20 CHED N#Cc1ccsc1NC(=O)[C@H]1CC12CCCCC2 532433477 AEMRIZHYFDGVMZ-LLVKDONJSA-N 260.362 3.529 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2)cc1 3385067 UEDKASTZFCFRED-LBPRGKRZSA-N 267.284 3.548 30 20 CHED O=S(=O)(/N=C(\O)CCC1CCCC1)C1CCCCC1 58072139 BBHBXKVAXVCPDZ-UHFFFAOYSA-N 287.425 3.576 30 20 CHED Cc1ccccc1NC(=O)Nc1ccc(CC#N)cc1 113533484 UGVYDMGQBRQGNM-UHFFFAOYSA-N 265.316 3.705 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 178115476 NHVYXMYGMCGRNY-PBHICJAKSA-N 284.403 3.528 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1CCc1ccccc1 52454274 QMCJDUQYLBIOFW-KRWDZBQOSA-N 277.371 3.555 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1F 179414606 PHCIFMCXTRTOMT-GORDUTHDSA-N 291.709 3.779 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCCCC#N 170886991 YPRFCLWIRUZEPV-ZDUSSCGKSA-N 299.374 3.829 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)o1)CCC2 179361110 MNVZXLSLMQRMMS-QGZVFWFLSA-N 266.344 3.627 30 20 CHED C=CC1CCN(C(=O)N[C@@H](CC)Cc2ccccc2)CC1 111490885 PJQDGELIBAFIIU-KRWDZBQOSA-N 286.419 3.615 30 20 CHED CCc1ccc([C@H](C)CC(=O)OCCCC#N)cc1 172424761 UGVKPWPDLAZDAQ-CYBMUJFWSA-N 259.349 3.590 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc(Cl)nc1 179413855 PVVPBSNQHNTXIG-DAFODLJHSA-N 285.730 3.566 30 20 CHED Cc1cc(-c2noc(-c3cc(C#N)cs3)n2)ccc1F 176660149 OPYKQTBGIDZESB-UHFFFAOYSA-N 285.303 3.784 30 20 CHED C=CCN(C(=O)COc1ccccc1C)c1ccccc1 61264256 FMLHTYHFNIPDNT-UHFFFAOYSA-N 281.355 3.593 30 20 CHED CC1(C)CC[C@H](CNc2nccnc2C#N)c2ccccc21 301936526 QHDPUDYSPRNTRZ-CYBMUJFWSA-N 292.386 3.615 30 20 CHED COCCOc1ccc(NCc2cccc(C#N)c2)c(C)c1 172192727 RYHMZTMKEYVWKX-UHFFFAOYSA-N 296.370 3.504 30 20 CHED CC(C)(C#N)CCCOc1ccccc1OC(F)F 135500172 NOPWZKDHUNTVNM-UHFFFAOYSA-N 269.291 3.997 30 20 CHED CCN(Cc1cccs1)c1snc(Cl)c1C#N 301499636 DCVUOIKPFWMRDA-UHFFFAOYSA-N 283.809 3.756 30 20 CHED C#CCCCNC(=O)c1ccc(-c2ccc(F)cc2)cc1F 172932681 YOFPIZOVHBXTIQ-UHFFFAOYSA-N 299.320 3.775 30 20 CHED CC[C@H](C)C(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1263524632 PVPKPBYVIDUMDG-LOWVWBTDSA-N 265.378 3.928 30 20 CHED CCC(CC)[C@H](CNCC(C)(C)CCC#N)N1CCCC1 174262068 USOQPYNEBIBJFI-KRWDZBQOSA-N 293.499 3.807 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CCC(C)C 62903221 ADBVPWKRDBKUQT-UHFFFAOYSA-N 270.376 3.509 30 20 CHED Cc1ccc(N/C(N)=N/[C@@H]2C[C@H]2C2CCCCC2)cc1 304813702 ZAZSGHBCEIYFRK-JKSUJKDBSA-N 271.408 3.690 30 20 CHED CCCCCCCC(=O)NC[C@H](O)c1ccccc1C 112399807 NGHIHCOXQGHAMD-INIZCTEOSA-N 277.408 3.505 30 20 CHED CCCn1ccc2ccc(NC(=O)C(C)(C)C#N)cc21 175276062 GGTZSIWSPUWFCC-UHFFFAOYSA-N 269.348 3.540 30 20 CHED C=CCOc1cccc(NC(=O)CC2CCCC2)c1 65749281 ODCMBFZLMGTODZ-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1csc2cc(C)ccc12 1349907141 OCYBWQNIYBDWBD-GFCCVEGCSA-N 286.400 3.974 30 20 CHED C=C(C)CN1CCC(NCc2ccc(Cl)cc2C)CC1 129490132 LUUVPQMCHATYGN-UHFFFAOYSA-N 292.854 3.779 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2ccc(Cl)c(C#N)n2)o1 67368734 HUHXYHQBIGFQHI-MWLCHTKSSA-N 287.750 3.935 30 20 CHED Cc1ccc(-c2cncc(C(=O)O[C@H](C#N)C3CC3)c2)cc1 126055564 GEZALNIJIBLNBI-QGZVFWFLSA-N 292.338 3.516 30 20 CHED CCc1nnc(SC[C@@H](C)CC)c(C#N)c1CC 229736595 MUMZNAYCLVGWJQ-JTQLQIEISA-N 263.410 3.611 30 20 CHED C=CCC1(C(=O)NCCc2ccc(Cl)s2)CCC1 188832004 LXHRCWUOUTUHHT-UHFFFAOYSA-N 283.824 3.807 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc(C#N)c1 123517323 ZYBAQXDLYBDBPD-SWLSCSKDSA-N 271.364 3.601 30 20 CHED C=C(C)[C@@H](NC(=O)c1coc(C)c1)c1ccc(F)c(F)c1 189179615 STSVVNIYFNYRJN-OAHLLOKOSA-N 291.297 3.913 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 185823502 NAAOASVBSVOTMG-INIZCTEOSA-N 298.430 3.658 30 20 CHED C=C(C)CN(C)[C@@H]1CCCc2nc(CC)sc21 152647497 XVEQASNQJAKMFU-GFCCVEGCSA-N 250.411 3.591 30 20 CHED Cc1ccc([C@H](C)NC(=O)CCc2ccc(C#N)cc2)cc1 74364741 LESBTUVUTTZPFG-HNNXBMFYSA-N 292.382 3.677 30 20 CHED CC1(C)CCC[C@H]1NC(=O)c1cccc(SCC#N)c1 79548331 LIUHSCALJILQIC-CQSZACIVSA-N 288.416 3.611 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1cccc(C)c1C 185583454 GNHQZFMEFPGPJS-HNNXBMFYSA-N 257.377 3.674 30 20 CHED Cc1ccc([N+](=O)[O-])cc1N[C@@H](C)c1cccc(C#N)c1 37298822 CXGSVYVMUNVRTK-LBPRGKRZSA-N 281.315 3.948 30 20 CHED CCCCC[C@H](C)CC(=O)N[C@@H](C#N)C(C)(C)C 122471354 LKDWMTFNEIXOPQ-STQMWFEESA-N 252.402 3.647 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2)ccc1C 78099262 JDCQDEJHMKYYRW-KHPPLWFESA-N 252.313 3.900 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(C)c(F)c1 30554837 IYYDJICCRRAJRQ-UHFFFAOYSA-N 285.318 3.951 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N[C@](C)(C#N)CSC 415697849 XEXACYLZNJPMHX-GOEBONIOSA-N 296.480 3.744 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C#N)CC2)CC1 187435057 CFAZHGSHLXBYES-HZPDHXFCSA-N 291.439 3.536 30 20 CHED C=C(C)[C@H](N[C@H](C)CCCOC)c1ccc(F)c(F)c1 186454834 FTYUMLUMOUSFEL-WBMJQRKESA-N 283.362 3.987 30 20 CHED CC#CCCCC(=O)N(CC)Cc1c(F)cccc1F 185396153 PJSQMWXRHOXBFR-UHFFFAOYSA-N 279.330 3.507 30 20 CHED Cc1ccc(F)cc1CSc1cc(C#N)ccn1 188188011 UEFDXYAVHNYAHL-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CN1C(=O)CCc2cc(/C=C/C(=O)c3cccs3)ccc21 187627627 PMBAGWWSNJRAOQ-VMPITWQZSA-N 297.379 3.553 30 20 CHED C=CCC[C@@H](C)NCCSCc1ccccc1C#N 185170073 ASVBCRWPJJMCNA-CQSZACIVSA-N 274.433 3.736 30 20 CHED CCc1ccc([C@H](C)C(=O)Nc2ccccc2C#N)cc1 76708733 JXDCWXZWLDGJAF-ZDUSSCGKSA-N 278.355 3.863 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(F)ccc1C 45169689 YHXLDYGNNZBAPD-UHFFFAOYSA-N 285.318 3.951 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)Nc1cccc(C#N)c1 524065156 JHCWDAPHAJOXNU-LBPRGKRZSA-N 273.380 3.895 30 20 CHED CCN(C(=O)c1ccccc1F)[C@H](C)c1ccc(C#N)cc1 45498972 VGWBHYLHAZDUKR-CYBMUJFWSA-N 296.345 3.921 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccccc2)cc1F 507817143 WINBPIBAQGOVQC-UHFFFAOYSA-N 268.335 3.838 30 20 CHED COCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(C)(C)C 509000636 UIRZHLDMGMNLCS-BBRMVZONSA-N 274.408 3.660 30 20 CHED C[C@@H](NCC(C)(C)c1cccnc1)c1cccc(C#N)c1 414330534 JGHFQGROANHNSZ-CQSZACIVSA-N 279.387 3.582 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1c(C)cccc1Cl 419501921 FNMRVWWHGJQYJY-LLVKDONJSA-N 283.824 3.572 30 20 CHED CCCCCCCCCNC(=O)C[C@@H]1CCCOC1 192552896 KDCLSZWHNOPKCI-HNNXBMFYSA-N 269.429 3.670 30 20 CHED CC[C@@H](C#N)OC(=O)c1csc(-c2ccccc2C)n1 84697880 PXTZDUDDFZIYIK-NSHDSACASA-N 286.356 3.578 30 20 CHED CCC1CC(=O)C(=CNc2cccc(Cl)c2)C(=O)C1 194956177 JCXMLUWITKFYAH-UHFFFAOYSA-N 277.751 3.594 30 20 CHED CCOC(=O)Nc1cccc(OCCCC(C)(C)C#N)c1 135474400 PRQPGECHWZCBIP-UHFFFAOYSA-N 290.363 3.964 30 20 CHED N#Cc1cccc(Oc2ccc(Br)c(F)c2)n1 87430625 UEVZDKRCAQVOFN-UHFFFAOYSA-N 293.095 3.647 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCc2cccc(Cl)c2)C1 192977421 CAMYKUSHOMZWCI-GOEBONIOSA-N 276.811 3.945 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 130126284 UROATQYTQVXHSO-NYYWCZLTSA-N 284.286 3.508 30 20 CHED C[C@H]1CC(NC(=O)c2cc(C#N)ccc2Cl)C[C@H](C)C1 513296998 SVQYWJDVOLDMAO-GHMZBOCLSA-N 290.794 3.766 30 20 CHED N#C[C@@H](C(=O)Cc1cccc2ccccc12)c1ccccn1 46439635 JOTYSVQOZCSJGY-QGZVFWFLSA-N 286.334 3.654 30 20 CHED Fc1ccc(C#CCSc2nncc3ccccc23)cc1 135291495 JUGPDCDBJYKUGK-UHFFFAOYSA-N 294.354 3.913 30 20 CHED O/C(=N/C[C@@H]1CCc2ccccc21)c1conc1C1CC1 329444901 CFBYSOPOGNSBRP-ZDUSSCGKSA-N 282.343 3.587 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(F)c2Cl)C1 80335043 DKUZGODAZZSJKC-ZUZCIYMTSA-N 294.757 3.681 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn(-c2cccc(C)c2)c1C 44009768 MPUUFYRCYFMFQV-UHFFFAOYSA-N 297.402 3.527 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2ccc(C(=O)O)s2)c1 49372009 CVCVHIDMOWFFJV-ONEGZZNKSA-N 286.352 3.959 30 20 CHED Cc1c(Cl)cnc(N2CC(C3CCCCC3)C2)c1C#N 514953485 ZTVLBVXRBLVNSI-UHFFFAOYSA-N 289.810 3.932 30 20 CHED CCCCCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 193391253 CQGZRQOTBHZYCW-ZDUSSCGKSA-N 292.766 3.568 30 20 CHED CCOc1ccccc1NCc1cn2ccccc2c1C#N 193401511 JLHWRVWGKLHACE-UHFFFAOYSA-N 291.354 3.822 30 20 CHED N#Cc1cc(C(=O)NC2CCC3(CCCCC3)CC2)c[nH]1 190858740 YWKNJTNAYYQFGY-UHFFFAOYSA-N 285.391 3.509 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cnccc1C(C)(C)C 424889099 WUQKODMVJGDWLU-UHFFFAOYSA-N 274.408 3.598 30 20 CHED C/C(=C\C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 195022824 GOTPMIUWKKVONY-ACCUITESSA-N 286.350 3.572 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C(C)=O)c1 336629275 OIWWCSZRBXJXHS-ZDUSSCGKSA-N 290.338 3.601 30 20 CHED Cc1ccc(SCc2cccc(C#N)c2F)nc1 513230918 GFZVIWZLLZRPLQ-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=CCCN(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 338543695 RGJVEXPBIKUNDG-UHFFFAOYSA-N 289.810 3.652 30 20 CHED Cc1c(NC(=O)[C@@H](C)CC2CCCC2)ccc(C#N)c1C#N 421553822 FIHCIMDYAJXXDH-LBPRGKRZSA-N 295.386 3.893 30 20 CHED CC1(C)CCC[C@H](CC(=O)N2CCC(C)(C#N)CC2)C1 336419165 WLUAABOOKGZZNJ-CQSZACIVSA-N 276.424 3.745 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 424741726 UEWPMSBLGOHJDW-PVAVHDDUSA-N 284.403 3.974 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425637566 MBZHFMMLUHANCP-CXAGYDPISA-N 270.376 3.680 30 20 CHED C=CCCCNc1cc(F)c(Cl)cc1N1CCOCC1 516113437 ALAXKGDEMPRZIC-UHFFFAOYSA-N 298.789 3.694 30 20 CHED Cc1ccc2cccc(N[C@H]3CC[C@H](C#N)C3)c2n1 334608738 YOYPITMCOMBVRI-JSGCOSHPSA-N 251.333 3.647 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccccc2N2CCCCC2)C1 334553851 ATCGBICZGIJUMJ-GJZGRUSLSA-N 269.392 3.781 30 20 CHED N#CCc1ccc(NC(=O)N2CC[C@@H](C3CCCC3)C2)cc1 333523114 KZRNSMKCFRVRHD-MRXNPFEDSA-N 297.402 3.797 30 20 CHED C=CCSCCNC(=O)C[C@H](C)C1CCCCC1 511962145 ATHHGNFNTHMPHT-ZDUSSCGKSA-N 269.454 3.628 30 20 CHED N#CC1(CCCOc2ccc3c(c2)CCC3)CCOCC1 337282995 XSVIZZGVROYYRM-UHFFFAOYSA-N 285.387 3.655 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cn(C)nc1-c1cccs1 93902408 VSODNJWQPKGHMS-AATRIKPKSA-N 298.367 3.946 30 20 CHED N#CCc1cccc(NC(=O)N2CCC[C@H]2C2CCCC2)c1 334741208 PYPSBSYDIXMRFZ-KRWDZBQOSA-N 297.402 3.939 30 20 CHED CCCCO[C@H]1C[C@H](NCc2ccc(C#N)cc2)C1(C)C 236866277 TTWSAVNMCMACEO-IRXDYDNUSA-N 286.419 3.632 30 20 CHED CC(C)[C@@H](O)C(C)(C)CNc1ccc2cc(C#N)ccc2n1 92924858 GAIHORSWQQMNAH-QGZVFWFLSA-N 297.402 3.561 30 20 CHED N#Cc1csc(CN2CCCC3(CCCC3)C2)c1 438379792 YTYVWRLUFUBYCH-UHFFFAOYSA-N 260.406 3.776 30 20 CHED O=C(NCC#Cc1cccc(F)c1)[C@H]1C[C@H]1C1CCCCC1 513218218 IDCFMUKPMJKGAX-ROUUACIJSA-N 299.389 3.510 30 20 CHED COc1ccc(NCc2cc(C#N)cs2)c(C)c1 93688015 JNHDXJFIIVNNEJ-UHFFFAOYSA-N 258.346 3.549 30 20 CHED Cc1cc(/C(O)=N/[C@H](C)CC(C)C)c2n[nH]cc2c1 330393254 HVOKPOXLXCXFTM-LLVKDONJSA-N 259.353 3.611 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3c(F)ccc(F)c32)s1 334981108 CVMNJACFHWNVNX-CQSZACIVSA-N 290.338 3.675 30 20 CHED Cc1nsc(N[C@H](C)c2ccc(F)cc2)c1C#N 92912462 ZAJPOQBUBVCEKX-MRVPVSSYSA-N 261.325 3.635 30 20 CHED Cc1ccc(C(C)(C)NCc2ccc(C#N)cc2Cl)cn1 439438579 KMKIJTAUUNNQOO-UHFFFAOYSA-N 299.805 3.940 30 20 CHED Cc1c(C(=O)N2CCC[C@@H]2C)sc2ccc(C#N)cc12 336613286 OSYWAFBPNRJMQG-JTQLQIEISA-N 284.384 3.706 30 20 CHED N#CCOc1ccc(NCc2cc(Cl)cs2)cc1 93093282 RESLHLAVAAGDRW-UHFFFAOYSA-N 278.764 3.916 30 20 CHED CC(C)(CCC#N)CN1CCc2c([nH]c3ccccc23)C1 93759079 PPJHSUAVIBUXTE-UHFFFAOYSA-N 281.403 3.856 30 20 CHED Cc1ccc([C@H]2CCN(c3cc(C#N)ccn3)C2)c(C)c1 343086718 UDECRSOPUHJEFW-INIZCTEOSA-N 277.371 3.564 30 20 CHED N#Cc1c[nH]c2c(F)ccc(Cl)c2c1=NCC1CCC1 520514375 RSTDTUFNOCUQRJ-UHFFFAOYSA-N 289.741 3.533 30 20 CHED N#Cc1ccc2ccccc2c1CN1CCC(F)(F)CC1 527539773 OZNPHDRKMDBSEX-UHFFFAOYSA-N 286.325 3.943 30 20 CHED C=CCCC1(C(=O)Nc2ccc(F)c(C(C)=O)c2)CC1 341078887 XJCKFLVLXFBKAE-UHFFFAOYSA-N 275.323 3.713 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1cc(C#N)n(C)c1 343653086 DQVBWAUIVZJCNN-YJBOKZPZSA-N 293.414 3.665 30 20 CHED CCS[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1 248830152 MJZFJVAOPGTHRE-CBBWQLFWSA-N 266.454 3.723 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccn1 245959909 XITHCBFKILDRGN-JONQDZQNSA-N 282.387 3.864 30 20 CHED CC(C)Oc1ccc(C(=O)/C=C\c2cncs2)cc1 255065519 BBFVUJYPGHIZRN-FPLPWBNLSA-N 273.357 3.826 30 20 CHED COc1ccsc1[C@@H](C)NCCc1cccc(C#N)c1 343511625 LUGSSYNYJPJOHQ-GFCCVEGCSA-N 286.400 3.522 30 20 CHED C=CCCC1(C(=O)Nc2cc(OC)c3ncccc3c2)CC1 341192147 OEQWSJJOJOKKAC-UHFFFAOYSA-N 296.370 3.928 30 20 CHED COCc1ccc(NC(=O)CC2=CCCCC2)cc1C#N 529816891 SKLDMFSWQPQTPB-UHFFFAOYSA-N 284.359 3.534 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCC1(C)CCCCC1 602569164 OJBIKQYWSQGDJU-OAHLLOKOSA-N 278.440 3.645 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@H](C)C1 606922063 KTVGZGVRCBDXCK-GJZGRUSLSA-N 266.429 3.953 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1ccc(F)c(Cl)c1 255538230 UBBOXWZNVKODSB-ALCCZGGFSA-N 292.741 3.671 30 20 CHED Cc1ccc(Nc2nc(CN[C@H](C)CC#N)cs2)cc1 602864209 QLCXJSNLSOSPCZ-GFCCVEGCSA-N 286.404 3.587 30 20 CHED C=CC1CCN([C@@H](C)c2noc(-c3ccccc3)n2)CC1 341894896 KHMDHESPMISNJC-ZDUSSCGKSA-N 283.375 3.696 30 20 CHED N#Cc1csc(CN[C@H](c2cccs2)C2CC2)c1 343075215 ZCFYGWYLKSGMRW-AWEZNQCLSA-N 274.414 3.922 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 442877137 QYEFRDBZVZUHJN-YUDUHTQSSA-N 274.795 3.868 30 20 CHED C=CCCC(=O)COc1ccc([N+](=O)[O-])c2ccccc12 534977123 WSTGNVDUDGMZBP-UHFFFAOYSA-N 285.299 3.662 30 20 CHED CC(C)c1cc(C(=O)N[C@H](C#N)C(C)C)c2ccccc2n1 448400491 UIWVXAIGHXWCBQ-QGZVFWFLSA-N 295.386 3.636 30 20 CHED C=CCN[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 537058118 KRVYFQRPVHNJOD-KRWDZBQOSA-N 297.398 3.763 30 20 CHED CC1(C#N)CN(C(=O)c2ccc3c(c2)oc2ccccc23)C1 355661372 XKQZPVLCBJEIHT-UHFFFAOYSA-N 290.322 3.572 30 20 CHED CCC(CC)n1ccc(CO/N=C/c2cccs2)n1 269313301 GLZKHPKIFXHVNI-XNTDXEJSSA-N 277.393 3.856 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cnn(CC(C)C)c1 266431823 YFRJKCUNRVTOCF-UHFFFAOYSA-N 292.427 3.749 30 20 CHED C[C@H](OC(=O)C(C)(C)C#N)c1ccc(C(F)(F)F)cc1 269974548 TXZQVVWNTCQMRX-VIFPVBQESA-N 285.265 3.859 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(C#N)c1 613281375 PQCTYYWMDCDHHR-LLVKDONJSA-N 292.298 3.511 30 20 CHED N#Cc1ccc(SCc2cnoc2C2CC2)c(F)c1 358568718 SMPOZCHYAKQIJZ-UHFFFAOYSA-N 274.320 3.855 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)c1nc(C(C)(C)C)no1 444686209 CANQLKNTYZHMGA-GFCCVEGCSA-N 292.427 3.738 30 20 CHED C=CCCCCCN(C)Cc1cnc2ccc(C)cn12 538729164 VMACCGCSIBOYEL-UHFFFAOYSA-N 271.408 3.821 30 20 CHED CC(C)(C#N)CNCc1csc(-c2cccs2)n1 612588296 ZRUKKFKIMZDCJW-UHFFFAOYSA-N 277.418 3.511 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(C2CC2)cn1 446176033 UVDAVDCICDSYMJ-UHFFFAOYSA-N 299.418 3.751 30 20 CHED C=CCC1(C(=O)NCCC(C)(C)F)CCCCC1 618413147 SXMLYZKBFBUNGT-UHFFFAOYSA-N 255.377 3.767 30 20 CHED CCO[C@@H]1C[C@H](N(C)CCCCC(C)(C)C#N)C1(C)C 444641115 OSQKGILGSAYAET-LSDHHAIUSA-N 280.456 3.842 30 20 CHED C=CC(C)(C)CNCc1ccc(Oc2cnccn2)cc1 449484355 GRVYGHBRZNJUDZ-UHFFFAOYSA-N 283.375 3.571 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc2c(c1)CCC(C)(C)O2 353418001 YGKHANOEVMHEAO-CYBMUJFWSA-N 272.392 3.524 30 20 CHED C[C@H](CCC#N)CNc1ccc(Cl)c(C[S@@](C)=O)c1 619242554 FAHCLWWPTYDTCW-NSPYISDASA-N 298.839 3.570 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)s1 611265471 TWFUGYYVDCHYNJ-MRXNPFEDSA-N 284.384 3.662 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)Cc1ccc(C#N)cc1 452505078 ADSZHBPQSADTHX-GOSISDBHSA-N 284.403 3.528 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1/C=C/c1ccccc1 364309126 ORUZNXVLKGPGPY-JJJPLKNQSA-N 281.399 3.884 30 20 CHED Cc1cccn2cc(CSc3ccc(C#N)cc3F)nc12 610165738 KQLFIRPWNZCGJR-UHFFFAOYSA-N 297.358 3.946 30 20 CHED C=C(CC)CNC(=O)N[C@@H]1CCSc2c(F)cccc21 454323048 CXPVAHXTSBEQNM-CYBMUJFWSA-N 294.395 3.628 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)NCC(C)(C)CCC#N 451775554 OUKCEFHZFPAJIE-ZIAGYGMSSA-N 264.413 3.649 30 20 CHED CC(C)Oc1ccc(NC(=O)CCC(C)(F)F)cc1C#N 610934321 XKCFSJJZFFJCET-UHFFFAOYSA-N 296.317 3.719 30 20 CHED CCC[C@H](OC)c1noc(/C=C\c2ccccc2C#N)n1 453203161 QAMZXJKYPMPTAJ-CMUBDUJZSA-N 283.331 3.599 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1CC1(C#N)CCC1 451189877 RWOMAMXOOOFZHW-VYDXJSESSA-N 268.404 3.947 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 367867106 ARBUEFYHGBVBIQ-GJZGRUSLSA-N 296.414 3.856 30 20 CHED C=C(CC)CNC(=O)c1c(Cl)cccc1Cl 453023066 SFCDEXFTAOSPHB-UHFFFAOYSA-N 258.148 3.689 30 20 CHED CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 278175733 CXODGYJBMSOWIM-LJQANCHMSA-N 293.414 3.865 30 20 CHED CC(C)Oc1cccc(Cn2nc(C#N)c3ccccc32)c1 541410353 PIGDDRDZOZORKE-UHFFFAOYSA-N 291.354 3.743 30 20 CHED C=CCCc1noc([C@@H]2C[C@@]23CCCc2ccccc23)n1 453233351 KCHOCKWIGDSVPS-MAUKXSAKSA-N 280.371 3.950 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccc(C)cc1 457489915 MIQMMKIEQFQXTO-OAHLLOKOSA-N 287.407 3.685 30 20 CHED CC(C)N(C(=O)c1ccc(CC#N)cc1)C1CCCC1 270334695 YTCVTUCGAWYXPZ-UHFFFAOYSA-N 270.376 3.546 30 20 CHED N#CC1(c2nc(-c3ccccc3F)no2)CCCCC1 273648340 CRAGASLPOKDJJW-UHFFFAOYSA-N 271.295 3.601 30 20 CHED CCCCN(C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 360823393 VMRMRXBFCQWNGU-LJQANCHMSA-N 299.462 3.647 30 20 CHED C=CC(C)(C)CNC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 458992876 WVEGECCLNPQCRU-OLZOCXBDSA-N 266.429 3.807 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2cccc(CC#N)c2)cc1 456763090 ZJUZYLRDJPMYEG-HNNXBMFYSA-N 292.382 3.878 30 20 CHED CC1=C(C(=O)N[C@H](C#N)C(C)(C)C)CCC(C)(C)C1 450109905 DCLADPIIMBKODG-CYBMUJFWSA-N 262.397 3.567 30 20 CHED Cc1cc(C)cc(Cn2nc(C#N)c3ccccc32)c1 542339811 ORQGAEVWYQIDMK-UHFFFAOYSA-N 261.328 3.573 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1cccc2ccccc12 465217847 SLRKJAISRVOVHT-STQMWFEESA-N 268.360 3.775 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc2ncccc12)OCC 270132992 PKRYTKNQVBDMLW-INIZCTEOSA-N 284.359 3.545 30 20 CHED Cc1csc(C(=O)N[C@](C)(C#N)C(C)(C)C)c1Cl 276914540 QUDMKSUCKZXIQC-CYBMUJFWSA-N 284.812 3.768 30 20 CHED Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCCCC#N 273320731 ZEAYPYDSKOECPM-CYBMUJFWSA-N 299.443 3.997 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1 271426600 CODDSJQDMFWDFS-PJHJGJPPSA-N 279.449 3.675 30 20 CHED C#CCCCC(=O)N(C1CC1)[C@@H](C)c1ccccc1 277308603 WKSWPGKVPCWBKI-AWEZNQCLSA-N 255.361 3.542 30 20 CHED CCc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 461733619 PTQNEDIJDBJPRC-CYBMUJFWSA-N 278.355 3.863 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1C 286262977 VDDUXVJXXCCZRA-YPMHNXCESA-N 263.381 3.627 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC(C)(c2ccccc2)C1 621523260 AUFKGMKCZHRUBI-UHFFFAOYSA-N 286.419 3.572 30 20 CHED C=CCCOCCNC(=O)c1ccc(C(C)C)c(Cl)c1 466997312 CFZAFQPRVJXOGA-UHFFFAOYSA-N 295.810 3.786 30 20 CHED CCC(=O)c1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 628692715 WHCKTXQJPRBPHV-SFHVURJKSA-N 296.370 3.692 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC=C)Cc1cccs1 466380456 BLNAWLPXPXGXPB-ZDUSSCGKSA-N 278.421 3.800 30 20 CHED Cn1ccc2cccc(NCCCC3(C#N)CCOCC3)c21 281235398 PHXFPADUGWGGSW-UHFFFAOYSA-N 297.402 3.691 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1ccc(C)cc1 555842270 AVKYERJNPZFQNX-UHFFFAOYSA-N 273.420 3.991 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCC(=O)c2ccccc21 284275080 HUEBZHXNRXHXFQ-KRWDZBQOSA-N 299.414 3.952 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC1(C)C 287309778 KYKFVJDKUNVIGO-MRXNPFEDSA-N 299.418 3.668 30 20 CHED C[C@H]1Cc2ccccc2[C@H]1NCCc1cccc(C#N)c1 467457048 VKQLIBNNMMDMRD-LIRRHRJNSA-N 276.383 3.624 30 20 CHED CCN(CCCC1(C#N)CCOCC1)c1ccccc1 281903405 FXAPXDMYJULGLO-UHFFFAOYSA-N 272.392 3.613 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1CC 465368000 VMKCTCFLRDRAIM-DLBZAZTESA-N 286.419 3.963 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1ccc2cc[nH]c2c1 280694490 WJVONHOAKJMKBC-MRXNPFEDSA-N 256.349 3.733 30 20 CHED Cc1cccc(C)c1OCCNc1ccc(F)cc1C#N 462386728 GOCONWWDOOALFN-UHFFFAOYSA-N 284.334 3.805 30 20 CHED C=CCC(F)(F)c1nc([C@H]2Cc3ccc(F)cc32)no1 632220156 DJXAJRRQFBVGDX-NSHDSACASA-N 280.249 3.565 30 20 CHED C=CCOCCCOc1ccccc1C(=O)OC(C)(C)C 478785189 CAQUEKBQAHGGIY-UHFFFAOYSA-N 292.375 3.613 30 20 CHED CSC1(C=NNc2ccc(OC(F)F)cc2)CCC1 800811979 QNLSUELYBWUOJU-UHFFFAOYSA-N 286.347 3.971 30 20 CHED CCCCCCCCN[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 808782884 FLNBEJQJAMTHTI-OKZBNKHCSA-N 294.483 3.584 30 20 CHED C[C@@H](C#N)OCCSc1ncc(-c2ccc(F)cc2)o1 801657204 YHCIRVJGXFECTJ-JTQLQIEISA-N 292.335 3.501 30 20 CHED Cc1cccc(C)c1C=NNc1nccnc1C1CCC1 807994881 VRVRHPPTEUJLSH-UHFFFAOYSA-N 280.375 3.807 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(N2CCCC2)c(F)c1 294385513 IJRNOXHMCYVWFB-UHFFFAOYSA-N 276.355 3.577 30 20 CHED C=CCOC(=O)CCc1ccc(-c2ccccc2F)o1 807624912 UZCKLRGJOSVZHW-UHFFFAOYSA-N 274.291 3.748 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)[C@@H]1c1ccncc1 293890522 KJZWRVJSLQEMSA-QGZVFWFLSA-N 277.371 3.536 30 20 CHED CC(C)(C)c1ccc(CCN[C@H]2CC[C@H](C#N)C2)cc1 564537579 YKCQHJDYUWQKSX-RDJZCZTQSA-N 270.420 3.808 30 20 CHED C#CCC1(c2nc(-c3ccc(C)nc3)no2)CCCCC1 290085384 LCQMNKMINBNVMO-UHFFFAOYSA-N 281.359 3.665 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc2ccccc2c1 803781048 BMAGAEBCRDNRNS-KRWDZBQOSA-N 267.328 3.823 30 20 CHED CCSCC[C@@H](C)NC(=O)Nc1scc(C)c1C#N 566418284 DGFSXHUCPWATSB-SNVBAGLBSA-N 297.449 3.581 30 20 CHED C=C[C@@H](Cc1nc([C@](C)(CC)OC)no1)c1ccccc1 290248749 COQKFRMTJHJAOT-GUYCJALGSA-N 286.375 3.854 30 20 CHED C[C@@H](NCC(C)(C)c1ccccn1)c1ccc(C#N)cc1 297368481 QGNAXSCTFCIQJO-CQSZACIVSA-N 279.387 3.582 30 20 CHED C#C[C@@H](NC(=O)c1c[nH]cc1-c1ccccc1F)C(C)(C)C 807881536 MHUGAWFVTGSHIT-MRXNPFEDSA-N 298.361 3.599 30 20 CHED CC#CCCCC(=O)OCc1ccc(Cl)nc1Cl 800203824 ZQJURUKEXHFNRN-UHFFFAOYSA-N 286.158 3.625 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 295553388 UDWDALCIXSRFNV-SUYBPPKGSA-N 273.376 3.617 30 20 CHED C=C(CC)COC(=O)c1ccccc1Oc1ccncc1 801500452 QGUKWIFPIZJZCA-UHFFFAOYSA-N 283.327 3.997 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CC[C@H](SCC)C1 474086634 AHAWDDDEUFAVJJ-KGLIPLIRSA-N 284.469 3.658 30 20 CHED C=CCOc1ccc(C(=O)N(C)Cc2ccsc2)cc1 641986758 ZMOFLPQYXIEECO-UHFFFAOYSA-N 287.384 3.585 30 20 CHED CCN(C)c1ccc(/C=C2\C(=O)c3ccccc3[C@@H]2C)cn1 809159708 VEIYJKIPPNPDJG-MFVBVHDHSA-N 292.382 3.921 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 298384123 HZIHEABVZUTHAJ-SNVBAGLBSA-N 279.771 3.720 30 20 CHED C=C(Cl)CN(C)CCc1cccc(Br)c1 812906191 VFWXLIRGEIREGU-UHFFFAOYSA-N 288.616 3.676 30 20 CHED C=CCCCCOC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 811008326 DYXQCIJJWZBVEW-UHFFFAOYSA-N 297.354 3.759 30 20 CHED O=C(/C=C\c1cc(O)cc(C(F)(F)F)c1)c1ccncc1 811684828 DEJJPTKWTARDGZ-UPHRSURJSA-N 293.244 3.702 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 488546983 HQZAHBPRKVBMPX-AWEZNQCLSA-N 274.408 3.616 30 20 CHED C=CCCn1cc(CN[C@H](c2ccccc2)C(C)(C)C)nn1 653573539 BQOKJQXTHUZNRV-QGZVFWFLSA-N 298.434 3.731 30 20 CHED CC(C)[C@H]1CC(=NOCc2ccc(F)cc2)CS1 814903263 APWCVKWQZKCREL-CQSZACIVSA-N 267.369 3.860 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C1CC[C@@H]1C1CCC1 814931472 UXAQMGOLZQGJNA-CYBMUJFWSA-N 273.336 3.881 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(OCC(C)C)c1 488832300 CKIWLALDQKIODJ-MRXNPFEDSA-N 287.403 3.902 30 20 CHED C=CCC(F)(F)C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 816774831 DUKPHENABBKWNK-UMVBOHGHSA-N 293.357 3.991 30 20 CHED C=CCC1(CNC(=O)CCC(C)(F)F)CCCC1 654082573 GAOOCYNOJVOHLS-UHFFFAOYSA-N 259.340 3.675 30 20 CHED C=CC(C)(C)c1nc(-c2cccnc2OC2CCCC2)no1 651206840 MXRARRNIRBJUPZ-UHFFFAOYSA-N 299.374 3.917 30 20 CHED C=CCC[C@@H](N[C@H](CO)Cc1cccc(C)c1)c1ccco1 577382876 QRWRKNIRUBUXQK-ZWKOTPCHSA-N 299.414 3.789 30 20 CHED C[C@H](Nc1ccc2c(c1)CCN2)c1ccc(OCC#N)cc1 817949085 HKOIJTGOSUENNT-ZDUSSCGKSA-N 293.370 3.730 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)c2ccccc21 573280688 OOTWGEHBOVFWMF-CYBMUJFWSA-N 291.354 3.908 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCCOCC1CCOCC1 657886616 GEIHAPUCSAKHDT-QZTJIDSGSA-N 295.467 3.544 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@H](C)Cc1cccc(F)c1 488877235 HZMDPDBYFDJRDY-PBHICJAKSA-N 289.394 3.962 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(F)c(Cl)cc1F 488883539 WSTYZMDAHIFYDW-SECBINFHSA-N 285.721 3.799 30 20 CHED C=CC1CCN(C(=O)N[C@H](CCC)CCCC)CC1 483976396 HAOQWMMVQIUJBF-OAHLLOKOSA-N 266.429 3.953 30 20 CHED N#Cc1ccc(CCC(=O)N2CC(C3CCCCC3)C2)cc1 570000507 QWASCBOUOFHCTO-UHFFFAOYSA-N 296.414 3.530 30 20 CHED C=CCn1c(SCC2CC2)nnc1-c1ccc(C)cc1 481361135 XBLQFDFZUNMTCJ-UHFFFAOYSA-N 285.416 3.942 30 20 CHED Cc1c(NN=Cc2c(F)cccc2F)cccc1[N+](=O)[O-] 727972706 DUYOZFQZLSSQIG-UHFFFAOYSA-N 291.257 3.627 30 20 CHED COc1cccc(NN=C2COc3cccc(Cl)c32)c1 814778718 SFDICDRPLDXUGV-UHFFFAOYSA-N 288.734 3.557 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)CCCN2 573693217 OEBZRFRYZLDCHG-LBPRGKRZSA-N 258.365 3.586 30 20 CHED N#Cc1ccc(CNc2cccc3cc[nH]c23)cc1F 574618261 HWZCLVHJQOGCEV-UHFFFAOYSA-N 265.291 3.791 30 20 CHED N#Cc1cc(C(=O)Nc2cc(C3CC3)ccn2)ccc1Cl 577569427 WODHLAAEEKSCOP-UHFFFAOYSA-N 297.745 3.736 30 20 CHED C#Cc1cccc(N(C)C(=O)CSc2ccc(C)cc2)c1 728482785 FXNHYPXHYMJLOO-UHFFFAOYSA-N 295.407 3.731 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C\c2ccccc2F)c1 821017657 LAOPIMGJJDMAKD-KHPPLWFESA-N 283.346 3.783 30 20 CHED N#CCC1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 492495044 UVDGKZBGAKNRMK-UTCJRWHESA-N 288.778 3.505 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1noc(Cc2ccccc2)n1 578939428 ASVBQAJRLGDEAU-ZIAGYGMSSA-N 285.391 3.666 30 20 CHED CC[C@H](NCCOC1CCCC1)c1ccc(C#N)cc1 571251324 SLAYDRXHAJJQSB-KRWDZBQOSA-N 272.392 3.558 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 576416541 CAEJILIBCGKTNR-SFHVURJKSA-N 286.419 3.882 30 20 CHED C#CCCCOc1cccnc1NCc1ccccc1F 820605448 RWDUJTKFHWFXDK-UHFFFAOYSA-N 284.334 3.625 30 20 CHED N#CC1(CN[C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 577146597 HHOSHHLDAWSCQJ-GDBMZVCRSA-N 288.822 3.945 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCc2cc3ccccc3[nH]2)C1 663868294 XUSUJOMJBIWTSO-CQSZACIVSA-N 297.402 3.666 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 589350529 KWSMCIPZMLNCQY-WDEREUQCSA-N 277.343 3.644 30 20 CHED N#Cc1cccc(C(=O)Nc2cccc(-c3ccccc3)c2)n1 589528033 BQKYMYPHEAGOHX-UHFFFAOYSA-N 299.333 3.873 30 20 CHED C=C(C)CN(CC)C(=O)/C=C\c1ccc2[nH]ccc2c1 492316163 FGVZTTUVBPWMLN-VURMDHGXSA-N 268.360 3.606 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1ccccc1Cl 497198279 JAVVDAIWTSYSBB-ZDUSSCGKSA-N 280.799 3.536 30 20 CHED CC[C@@H]1C[C@@H](Nc2ccc(OC(C)C)c(C#N)c2)CCO1 824126207 STGWBGDQMOVMTB-JKSUJKDBSA-N 288.391 3.715 30 20 CHED C[C@H]1C[C@@H](C=NOC2CCC2)CCN1C(=O)OC(C)(C)C 496521200 ULFVGSILFWXPQG-STQMWFEESA-N 296.411 3.577 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)CCCCCC#N 588156508 XXANJDMTBRDJAL-LSDHHAIUSA-N 264.413 3.936 30 20 CHED Cc1ccncc1[C@H](C)Nc1nc(C)c(C#N)cc1Cl 589690263 WISKAGIVACLCNP-NSHDSACASA-N 286.766 3.792 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCCC1CC1 665667196 ZKSKZDLRMDNABN-KRWDZBQOSA-N 271.404 3.870 30 20 CHED C=C1CCC(C(=O)Nc2cc3cc(OC)ccc3[nH]2)CC1 907687771 MGYDIQULUMPLEA-UHFFFAOYSA-N 284.359 3.861 30 20 CHED C=CCCCCNC(=O)N(C)Cc1cccc(C)c1C 490231243 PZDCENYUGLLQHW-UHFFFAOYSA-N 274.408 3.801 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)C[C@H]1c1cccnc1 588204777 OCIRGUNKRBERJC-KUHUBIRLSA-N 291.398 3.845 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(C(F)F)c2)C1 839054078 UYGSMJIARRTQFG-ZWNOBZJWSA-N 279.286 3.863 30 20 CHED C=CCN(C)C(=O)c1ccc(OCCCC)cc1Cl 490074994 WHEDXMDSCDTXLB-UHFFFAOYSA-N 281.783 3.777 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c2ccccc2n1 839048275 AAZDQNSCHBRLFB-KGLIPLIRSA-N 294.354 3.782 30 20 CHED CCCCCC[C@@H](C)NC(=O)NCC(C)(C)CC#N 837325566 OOKYMFYTWXIHBV-CYBMUJFWSA-N 267.417 3.584 30 20 CHED C[C@@H](C(=O)OCc1ccc(C#N)cc1F)c1ccsc1 738832750 GDMGHRQXXJXYRE-SNVBAGLBSA-N 289.331 3.606 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1csc(C(=O)O)c1 730149510 XWTOWNABKWBXLJ-RQOWECAXSA-N 294.278 3.621 30 20 CHED CC(C)Oc1cccc([C@H](C)NC(=O)C#CC(C)(C)C)c1 837345653 NWJHPNJAWFTYRM-AWEZNQCLSA-N 287.403 3.701 30 20 CHED C=CCCCOC(=O)c1cc2ccccc2cc1OC 735527876 LCNQGXXSUTXXOE-UHFFFAOYSA-N 270.328 3.971 30 20 CHED N#CCOc1cccc(/C=C2/CCc3sccc3C2=O)c1 730149508 JCOUTXJYIWPXNL-RAXLEYEMSA-N 295.363 3.863 30 20 CHED C=CC[S@@](=O)[C@@H](C)c1ccc(C(C)(C)C)cc1 905198670 GPXQUECNMVOTPI-YVEFUNNKSA-N 250.407 3.980 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2cn(C(C)C)nn2)cc1 901524730 MWRUETIRGFXPGX-JXMROGBWSA-N 299.374 3.542 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc(F)c(F)c1 588488991 DCIPPZSNGWQRET-HYXAFXHYSA-N 280.295 3.931 30 20 CHED CCC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839049774 HWECRUBTCWLDOK-SWLSCSKDSA-N 285.343 3.518 30 20 CHED Cc1cc(C=NNc2ncc(F)cc2F)c(C)n1C1CC1 835022521 MHIAKXCGSIVYQR-UHFFFAOYSA-N 290.317 3.559 30 20 CHED C[C@@H]1CCC[C@H](N2CCC(=NNc3ccccn3)CC2)C1 733746416 NSMBHAMNHWLNSI-ZBFHGGJFSA-N 286.423 3.524 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(C2CCC2)cc1 834438471 SBNODRZRMPUXEM-YFHOEESVSA-N 266.344 3.584 30 20 CHED Cc1nc(C#N)c(NN=C2CCCC23CCCCC3)o1 834942142 MOVSTBOKPJNFMD-UHFFFAOYSA-N 272.352 3.757 30 20 CHED CC[C@@H](NC(=O)C#CC(C)(C)C)c1cc(F)ccc1F 837431521 OCGWYNQXTSADEU-CQSZACIVSA-N 279.330 3.582 30 20 CHED C=CCCCCC(C)=NNc1nccnc1Cl 834958075 CJZDKMGXUOYEJZ-UHFFFAOYSA-N 252.749 3.664 30 20 CHED N#CC[C@H](CC(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 839058897 MJZNKYDMWAMPDM-USXIJHARSA-N 296.370 3.700 30 20 CHED CC(=NNCc1ccc(Cl)cc1Cl)c1cccnc1 914696434 CYPQJKYDZIDABB-UHFFFAOYSA-N 294.185 3.902 30 20 CHED C#CC1CCN(C(=O)c2cc3cc(C)c(C)cc3o2)CC1 843705502 BOGMGGUKAUFFMA-UHFFFAOYSA-N 281.355 3.535 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccnn1CC(C)C)C2 843269625 PYGRRRDJHOLWLM-GDNBJRDFSA-N 280.371 3.670 30 20 CHED C[C@H](CCC#N)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 591012295 MDWZHNAMTUKVSP-NJAFHUGGSA-N 286.419 3.778 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](c1ccccc1)C1CCCC1 845633073 HHQWQDKFOJERPB-CJNGLKHVSA-N 288.391 3.723 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccc(COC)c1 747082118 MDCZXOAJIPCBEN-UHFFFAOYSA-N 274.360 3.645 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C\C1CCCC1 843566834 JYOPKOXEPZSYMY-KTKRTIGZSA-N 254.333 3.552 30 20 CHED C=C[C@](C)(CC)COC(=O)c1cnc2n1[C@H](C)CCC2 845528102 ZBZJCPLLSNDYKG-MLGOLLRUSA-N 276.380 3.540 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N[C@@H](C)[C@H]1CCOC1 743544640 XWIRNCKMWUDWPD-JYJNAYRXSA-N 298.471 3.707 30 20 CHED C[C@H]1C[C@@H](C)CN1C(=S)Nc1ccc(C#N)c(Cl)c1 740631934 FPWSULRKFZLFTE-ZJUUUORDSA-N 293.823 3.639 30 20 CHED CS[C@@H]1CCCC[C@H]1NC1CCC(C)(C#N)CC1 593654264 MPKOAUSCFPOWGD-PIOWNMBXSA-N 266.454 3.723 30 20 CHED N#Cc1csc(/C=C2/CCc3sccc3C2=O)c1 748440101 GXLOXQSOOUIXMP-POHAHGRESA-N 271.366 3.894 30 20 CHED N#CC[C@@H]1CCCN(CCc2cccc(Cl)c2)C1 597175646 BZLJFMJXANYIPF-AWEZNQCLSA-N 262.784 3.508 30 20 CHED CCCCCCCCOC(=O)c1snnc1CC 918492044 DURBAHASMVSUKK-UHFFFAOYSA-N 270.398 3.618 30 20 CHED COc1ccc(CN(CCC#N)CC(C)C)c(Cl)c1 749844487 LIMMWZZNHAKTKP-UHFFFAOYSA-N 280.799 3.720 30 20 CHED CCN(C[C@@H](C)C#N)c1ncnc2ccc(C(C)C)cc12 596150636 DJSRXZXXINEDCB-ZDUSSCGKSA-N 282.391 3.739 30 20 CHED N#C[C@H](C(=O)C1[C@H]2CCCC[C@H]12)c1nc(C2CC2)cs1 842940862 KJRRHWSEKGGNDG-SDDRHHMPSA-N 286.400 3.633 30 20 CHED CCc1ccccc1C/N=C/c1cc(OC)ccc1O 740616607 OHUCKMPOIFIDTL-LDADJPATSA-N 269.344 3.582 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(CSC)cc2)C1 597999614 VELNFXYZVBZLNM-AWEZNQCLSA-N 289.444 3.978 30 20 CHED C=C(Cl)COC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 747514148 CAMFWHRZIDVFJM-RYUDHWBXSA-N 271.143 3.739 30 20 CHED CCCCN(CCCC)C(=O)CON=Cc1cccs1 747827501 PJUZGCIEPGQVHE-UHFFFAOYSA-N 296.436 3.527 30 20 CHED CCN(CCn1ccc2cc(Cl)ccc21)[C@@H](C)C#N 595820171 KKRMUTBDVHTLTO-LBPRGKRZSA-N 275.783 3.529 30 20 CHED COCC(=NNc1ccc(Cl)c(F)c1)C(C)C 747636378 ITFWDURBTGUHOP-UHFFFAOYSA-N 258.724 3.549 30 20 CHED CC(C)(C)c1cccc(Oc2ncc([N+](=O)[O-])cc2C#N)c1 742544968 SLQXJSBULMEHKJ-UHFFFAOYSA-N 297.314 3.951 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C(C)(C)C#N 842325105 LNCJXCQLYSQEDM-DDTOSNHZSA-N 291.778 3.925 30 20 CHED COc1cccc2cc(/C=C\C(=O)c3ccncc3)oc12 916136291 KVLBLZODBAIXHP-WAYWQWQTSA-N 279.295 3.733 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)c1ccc(C)o1)c1ccncc1 742675923 DZVWPZPWMKRBLY-ZFWWWQNUSA-N 284.359 3.520 30 20 CHED Cc1nsc(NCCC[C@@H]2CC2(Cl)Cl)c1C#N 845747028 TZHWWFHSGKAFAU-MRVPVSSYSA-N 290.219 3.709 30 20 CHED N#CC1(COC(=O)CCCc2c(F)cccc2F)CCC1 847683527 PBVMOKURXDWUNQ-UHFFFAOYSA-N 293.313 3.525 30 20 CHED Cc1cc(C)c(C/N=C/c2cccc(O)c2O)c(C)c1 745623837 BUUHLUAFQCDRPV-GIJQJNRQSA-N 269.344 3.642 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)c1ccc(C)o1)c1ccncc1 742675918 DZVWPZPWMKRBLY-DZGCQCFKSA-N 284.359 3.520 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1)c1ccc(O)cc1 747698766 NGWBDUGKTDCVFG-ZPUQHVIOSA-N 268.287 3.984 30 20 CHED CC1(C)C(=NNc2cccc(Cl)c2)[C@@H]2CCCO[C@@H]21 743420304 BVNQELAHOXZWOU-JSGCOSHPSA-N 278.783 3.943 30 20 CHED C=CCCCC(=O)OCC(=O)c1cc2ccccc2o1 748236209 TYCCEVUSIQROLJ-UHFFFAOYSA-N 272.300 3.515 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)Cc2c(F)cccc21 921263957 MDAZITGUJHFJFT-POHAHGRESA-N 274.241 3.926 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)CCc1ccccn1 851144155 QDQCEZPPPNADRA-GOEBONIOSA-N 273.376 3.692 30 20 CHED CC(=O)Nc1cccc(C(C)=NN[C@@H](C)c2ccccc2)c1 920385697 GGSRXAQJQZCOET-ZDUSSCGKSA-N 295.386 3.720 30 20 CHED C#C[C@](C)(CC)NC(=O)C[C@H](C)c1c[nH]c2ccccc12 854701992 IMMUSIVCWHMTEU-SCLBCKFNSA-N 282.387 3.580 30 20 CHED C#CC[C@H](OC(=O)c1cc(Cl)ccc1C)c1ccccn1 753553729 QGIAMKVSXVJENR-INIZCTEOSA-N 299.757 3.965 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccc(Cl)cn1 853436316 XCAZBEMZIPCQFO-NSHDSACASA-N 276.771 3.853 30 20 CHED Cc1ccc(-c2cncc(C(=O)OCCCCC#N)c2)cc1 757892638 YSNKXWXHPXNVOE-UHFFFAOYSA-N 294.354 3.908 30 20 CHED C=CCCCCN[C@H]1CCc2c(F)cc(F)cc21 681130281 VHZKCWXAWUXKHG-HNNXBMFYSA-N 251.320 3.898 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](O)c1cccc2ccccc12 855482647 WYABNUKKAHZYSX-QGZVFWFLSA-N 297.398 3.592 30 20 CHED Cc1ncc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)n1C 853294351 MSVSGPCNWNEMPV-ZDUSSCGKSA-N 284.407 3.537 30 20 CHED CSCC[C@@H](C)OC(=O)CC1(C#N)CCCCC1 851067246 LDUFAQXTWQYNFZ-GFCCVEGCSA-N 269.410 3.535 30 20 CHED Cc1nn(C)c(Cl)c1/C=C\C(=O)c1cc(F)cc(F)c1 755703410 APJDBIRIYAOCNV-ARJAWSKDSA-N 296.704 3.556 30 20 CHED C=CCCC[C@H](C)OC(=O)c1ncnc2ccsc12 850310292 KXWJTMABJWKNMK-JTQLQIEISA-N 276.361 3.593 30 20 CHED C(=NNC1CC1)c1ccc(Sc2ccccc2)cc1 758133264 NWSDQBHUHBXGQZ-UHFFFAOYSA-N 268.385 3.924 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cccc(-n2cnnc2)c1 925710753 WJNJARKYTKMNAG-HUUCEWRRSA-N 284.407 3.663 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 850485276 CPYPVEUMWHZUDG-HNNXBMFYSA-N 293.414 3.518 30 20 CHED O=C1/C(=C\c2ccccc2F)Cc2c(F)cc(F)cc21 751534741 DBSZBYYZDSJQEN-YHYXMXQVSA-N 274.241 3.926 30 20 CHED CO[C@H](C#N)c1ccc(-c2ccc(F)c(CN(C)C)c2)cc1 854197525 MIFNJYLUGKWUIY-GOSISDBHSA-N 298.361 3.765 30 20 CHED C=CCNc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 756814649 YPYALULDLNFDNY-UHFFFAOYSA-N 288.391 3.578 30 20 CHED C=C[C@H](OC(=O)[C@H](C)c1c(C)nn(C)c1C)c1ccccc1 851454068 XCRLPUWFJARPFV-WBMJQRKESA-N 298.386 3.611 30 20 CHED CCCN(CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1C 930017314 GXXLVQMWXIBZEF-UHFFFAOYSA-N 299.296 3.673 30 20 CHED N#Cc1cccnc1N[C@H]1CC2(CCC2)Oc2ccccc21 757785795 FKKRPJJOZBYXGR-HNNXBMFYSA-N 291.354 3.812 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1F 756265368 HRFXVTKYECBTRK-KRXBUXKQSA-N 296.257 3.502 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCC[C@H]1c1cccn1C 933979399 WRLICEIGTVAOJA-ZBFHGGJFSA-N 274.408 3.681 30 20 CHED CCCCCCCNC(=O)C[C@H](C)n1nc(C)cc1C 862360725 ZBPZANSGSQXGSL-HNNXBMFYSA-N 279.428 3.538 30 20 CHED CCOC1(C)CCN(CCCCC2(C#N)CCC2)CC1 930537921 IWCQAEVZYKGIPU-UHFFFAOYSA-N 278.440 3.742 30 20 CHED C=CCCC(=O)COC(=O)c1cc(CCC)c(C)s1 761351844 UOVCFSYPGKZGNZ-UHFFFAOYSA-N 280.389 3.701 30 20 CHED Cc1ccc(C=NNCc2ccc(Cl)cc2Cl)cn1 764906042 XEFPQOUNSIUDPZ-UHFFFAOYSA-N 294.185 3.821 30 20 CHED CC1(C)CCCN(Cn2cc(-c3ccccc3)cn2)[C@H]1C#N 766114901 SBNPBEKKZKYBCD-KRWDZBQOSA-N 294.402 3.522 30 20 CHED C[C@@H](C#N)CN(C)C(=O)C=C1CCC(C(C)(C)C)CC1 765024109 BQJPMRLFGOIQAL-CFMCSPIPSA-N 276.424 3.767 30 20 CHED CCC1(CC)C(=NNc2ccc(C#N)cc2)C[C@H]1OC 762601735 AOLSMUDDDHRTHB-OAHLLOKOSA-N 271.364 3.551 30 20 CHED C=C1CCN(Cc2cc3cccc(OC)c3o2)CC1 769338106 KUFZKAPULAXYFR-UHFFFAOYSA-N 257.333 3.593 30 20 CHED C=CCC1(NC(=O)c2ccc3c(C=O)c[nH]c3c2)CCCC1 862207134 LPIBLEPQNACDGS-UHFFFAOYSA-N 296.370 3.599 30 20 CHED COCCC1(C/N=C/c2cc(Cl)ccc2O)CCC1 760211231 NJYWQAVSXUHMCY-LICLKQGHSA-N 281.783 3.671 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCCc2sccc21 767121724 RESKZDUOQFFKJA-CQSZACIVSA-N 275.417 3.825 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1cccc(C(=O)O)c1 765992576 LPVARRNZLSPGPH-SNVBAGLBSA-N 260.337 3.609 30 20 CHED CC(C)CN(CCC#N)Cc1ccc([C@@H]2C[C@@H]2C)o1 768153520 HPVROSJDHUGOFZ-DZGCQCFKSA-N 260.381 3.775 30 20 CHED O=[N+]([O-])c1cccnc1NN=CCC[C@H]1C[C@H]2CC[C@H]1C2 768776498 PASFEJWIEWBMCC-AGIUHOORSA-N 288.351 3.604 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C(F)=C1CCCC1 763042180 IWRWHDVVGFXFIJ-UHFFFAOYSA-N 280.387 3.962 30 20 CHED CC[C@H]1CCC[C@@H]1c1nnc(-c2cccc(C#N)c2)o1 1118372133 PBWBXVLJROPKPI-JSGCOSHPSA-N 267.332 3.902 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C(F)=C1CCCC1 763027216 ACLUGRCJQXEZQQ-UHFFFAOYSA-N 288.322 3.693 30 20 CHED C[C@@H](C=NNc1ncnc2ccsc12)c1ccccc1 764841471 QVCDQDDCKSUEHM-NSHDSACASA-N 282.372 3.893 30 20 CHED CC(=NNCc1ccc(F)cc1)c1ccc2ccccc2n1 1116285917 LLULFSAFBNFVJT-UHFFFAOYSA-N 293.345 3.888 30 20 CHED N#CC1(CNc2cc(-c3cccc(Cl)c3)ncn2)CC1 872530661 ZTAXDNZRMXCSFR-UHFFFAOYSA-N 284.750 3.513 30 20 CHED COc1cc(Cl)cc(C=NOC2CCCCC2)c1O 777458260 AZILVMKQYLOPHT-UHFFFAOYSA-N 283.755 3.737 30 20 CHED CCN(Cc1ccc2ccc(Cl)cc2n1)C[C@@H](C)C#N 878020739 PRIXIYPSRCOCPF-LBPRGKRZSA-N 287.794 3.870 30 20 CHED CC(=NNCc1ccccc1Cl)C1CCSCC1 777432894 OPTHERMPSVSOSZ-UHFFFAOYSA-N 282.840 3.949 30 20 CHED C[C@H](CC#N)OC(=O)/C=C\c1ccccc1C(F)(F)F 870205277 PGVSNBZTSPONIM-JYESYGNLSA-N 283.249 3.564 30 20 CHED C[C@@H](C(=O)OCc1cccc(C#N)c1F)c1ccsc1 774959259 FMQJYSWKXUFSBL-SNVBAGLBSA-N 289.331 3.606 30 20 CHED C=Cn1cc(C=NNc2cc(Cl)ccc2Cl)cn1 773059666 VFIRYPGMDGHGQV-UHFFFAOYSA-N 281.146 3.736 30 20 CHED N#Cc1cccc(CN2CCC[C@H](c3ccccc3)CC2)n1 876682150 FZZIJHIVSCTXGU-KRWDZBQOSA-N 291.398 3.723 30 20 CHED C=C(C)[C@H](NC(=O)/C=C\SC)c1ccc(F)c(F)c1 772328299 PIMXEHVZFJFUDY-AFNCTOJWSA-N 283.343 3.575 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)/C=C/C=C/C)cc1 774576095 QQNFDETYVBFPRR-WJDMQLPWSA-N 299.370 3.767 30 20 CHED Cc1coc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 880864767 WWEMBLNSOMATIL-UHFFFAOYSA-N 282.343 3.511 30 20 CHED C=C(Cl)CN[C@H](Cc1ccc(F)cc1)C(C)C 773006279 WPUQSVNUNNZCMO-CQSZACIVSA-N 255.764 3.735 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C#N)ccc1OC(F)F 888785237 TWBUOZDPLDRAHA-UHFFFAOYSA-N 294.301 3.700 30 20 CHED C#C[C@@H](OC(=O)c1cc(C(C)C)nn1CC)c1ccccc1 1122878190 MYHZBFWEEHPEDZ-QGZVFWFLSA-N 296.370 3.558 30 20 CHED C=C1CCC(C(=O)Nc2cc(C#N)ccc2C)CC1 888574279 VRJIVLCRGVIVIV-UHFFFAOYSA-N 254.333 3.552 30 20 CHED C[C@@H]1CCC[C@@H](COC(=O)c2cc(C#N)cs2)C1 770996093 CTJGHFSOOCTAHG-GHMZBOCLSA-N 263.362 3.603 30 20 CHED Cc1cc(C)c(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(C)n1 1126638281 URDSTORVGYTQOE-CQSZACIVSA-N 294.354 3.797 30 20 CHED CN(C(=O)Nc1cc(C#N)c(F)cc1F)C1CCCCC1 880715919 DNXJUQVIBOHYKX-UHFFFAOYSA-N 293.317 3.633 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(Cl)cc1C#N 887994518 AREZICUPLUHOGT-SNVBAGLBSA-N 262.740 3.752 30 20 CHED Cc1cc(C)c(/C=C/C(=O)OCC(C)(C)C#N)cc1C 781477283 KICRQDTWATXCKA-VOTSOKGWSA-N 271.360 3.718 30 20 CHED CCCCc1nnc(S)n1N=C[C@H]1CCCC[C@H]1C 783798825 JBCKDDRVLOPPIQ-VXGBXAGGSA-N 280.441 3.570 30 20 CHED C=CCCN(Cc1ccc(F)cn1)OCc1ccccc1 787311349 LJTJBXLQMNTTHR-UHFFFAOYSA-N 286.350 3.731 30 20 CHED CC(C)(C#N)CC(=O)OCCCc1ccc(Cl)cc1 785079233 ARURPTAMDIETKB-UHFFFAOYSA-N 279.767 3.756 30 20 CHED COCCC1(C=NNc2ccc(F)cn2)CCCCC1 780225481 OYQMLDOOVQYSOB-UHFFFAOYSA-N 279.359 3.605 30 20 CHED COc1ccc(C)cc1[C@H](C)OC(=O)c1ccc(C#N)cc1 781622827 XICKLVIBFJTTRJ-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED Fc1ccc(CON=CC2CC2)c(Br)c1 780287885 POTXYMTVNNZWSI-UHFFFAOYSA-N 272.117 3.501 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2cncc(Cl)n2)C1 783823819 JTYOADVVBZPFAS-QWRGUYRKSA-N 266.776 3.744 30 20 CHED COCc1ccc(C=NNc2ccc(Cl)c(OC)c2)o1 788471411 ARSFKCTUQMDOTP-UHFFFAOYSA-N 294.738 3.534 30 20 CHED COc1ccc(NN=C(C)c2cc(C)c(F)c(C)c2)nc1 780270785 MNIHURNLTBCGJB-UHFFFAOYSA-N 287.338 3.682 30 20 CHED CC(C)c1ncc(C=NN[C@@H]2CCCC2(C)C)s1 782303642 XVCIMIJOZWDKHQ-GFCCVEGCSA-N 265.426 3.769 30 20 CHED C=CCOCCCC(=O)Nc1ccc2sc(C)nc2c1 781202445 KPSALHZJTLGWTE-UHFFFAOYSA-N 290.388 3.526 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C[C@@H](C)SC 783872845 BLGFHPVYAITPSG-CQSZACIVSA-N 293.432 3.665 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1coc(C)c1 783873623 VTIINZUGOZTIFU-UHFFFAOYSA-N 285.343 3.738 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1nncc2ccccc12 783790506 HLRDTVZVUPJNPE-STQMWFEESA-N 268.364 3.854 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)CCc2cc(F)ccc21 899360556 LZZQDJHEDRBJDO-RIYZIHGNSA-N 296.345 3.960 30 20 CHED CC1(C)C[C@H](Nc2cccc(Cl)c2C#N)CCO1 215390018 LAQPDZILWINBKP-SNVBAGLBSA-N 264.756 3.581 30 20 CHED CC[C@@H](C)NN=Cc1csc(-c2ccc(C)cc2)n1 790188472 JLLKKVXOTQTJMY-GFCCVEGCSA-N 273.405 3.841 30 20 CHED COc1cccc([S@](=O)CCCCC2(C#N)CCC2)c1 899277000 NNLCMACIONTBIZ-HXUWFJFHSA-N 291.416 3.667 30 20 CHED CC[C@H](C)CON=Cc1cnc(-c2ccco2)s1 793163383 JNPLRJLCVBGXBP-JTQLQIEISA-N 264.350 3.800 30 20 CHED CC(C)[C@H]1CCCC(=NN[C@@H]2CCOC(C)(C)C2)C1 794535256 HVTWSJDGNVRCOO-DZGCQCFKSA-N 266.429 3.736 30 20 CHED Cc1csc(C[S@@](=O)CCCCC2(C#N)CCC2)n1 899394290 FTGUINCCTRKFFM-IBGZPJMESA-N 296.461 3.564 30 20 CHED Cc1cccc(F)c1NCc1ccc(CC#N)cc1 398962484 OAQWRLOYGQAXCG-UHFFFAOYSA-N 254.308 3.812 30 20 CHED Cc1cccnc1NN=C1C2CC3CC(C2)CC1C3 790184695 ABAZTGQSWKFVET-UHFFFAOYSA-N 255.365 3.614 30 20 CHED CC[C@@H](C)CC(=O)OCc1ccc(C#N)cc1Cl 791496022 AHZCEUNSPHMXNK-SNVBAGLBSA-N 265.740 3.691 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccsc2Cl)cc1 790136902 YHTOSFKQKKBEIL-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C#CCCCN[C@@H](C)c1ccc(F)cc1C(F)(F)F 705527472 NHRCMZJFYJYQEK-JTQLQIEISA-N 273.273 3.909 30 20 CHED FC(F)(F)CCON=C1CCC[C@@H]1c1ccccn1 794933131 OFMHNLQELXSUGI-SNVBAGLBSA-N 272.270 3.674 30 20 CHED CC[C@@H](C)CON=C(C)c1cccc([N+](=O)[O-])c1C 793158479 HNHKJKIUYMNZBU-SNVBAGLBSA-N 264.325 3.690 30 20 CHED C=CCCCCCN1CCC[C@H]1c1cn(C)nc1C 683781539 CGSCSYYXDKLLJY-INIZCTEOSA-N 261.413 3.612 30 20 CHED Cc1ccc2c(c1)C(=NNc1ncccc1F)CCC2 794989925 GFEJFGPHDDXAIN-UHFFFAOYSA-N 269.323 3.682 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)ccn1 797103883 ADDXXBUUBVNHFD-DJIMGWMZSA-N 298.386 3.603 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccn(C2CCCC2)n1 796473474 ICHRSCCWIVXJPO-UHFFFAOYSA-N 276.380 3.644 30 20 CHED COCC[C@@H]1CCCC1=NNc1cccc2cnccc12 799879264 WGUYIIRWQQXURT-ZDUSSCGKSA-N 283.375 3.839 30 20 CHED Clc1cccc(NN=C[C@@H]2C[C@H]2c2ccccc2)n1 793163570 LRJNDMNSCQYUEA-STQMWFEESA-N 271.751 3.936 30 20 CHED C#CCN(C(=O)CCc1ccc(Cl)cc1Cl)C1CC1 763795599 UEKJEYRQNPKQFR-UHFFFAOYSA-N 296.197 3.550 30 20 CHED CCOc1ccc(NCc2ccc(C#N)c(C)c2)cc1 767663022 LIFBCMREGOWXER-UHFFFAOYSA-N 266.344 3.878 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H]([C@@H](C)O)C1 780803490 MFOQRPHASWJFDA-HZPDHXFCSA-N 283.456 3.747 30 20 CHED CC(C)[C@H](Cc1ccccc1)Nc1ncc(C#N)cc1F 1307209085 WPGMVUMDTUYNQE-INIZCTEOSA-N 283.350 3.772 30 20 CHED Cc1cc(N2CC[C@H](c3ccccc3)[C@H](C)C2)c(C#N)cn1 1162618877 LJSOYGVMQWLGHK-KDOFPFPSSA-N 291.398 3.892 30 20 CHED Cc1cccc(COc2c(C)cc(Cl)cc2C#N)n1 1166378686 ULPGIIKZOXEGHD-UHFFFAOYSA-N 272.735 3.803 30 20 CHED N#Cc1ccc(F)c(CSCc2cn3ccccc3n2)c1 1319009950 SJNZKSFJFBYMPK-UHFFFAOYSA-N 297.358 3.778 30 20 CHED CC(C)C[C@@H](C)Cc1nnc(-c2cccc(C#N)c2)o1 1322585054 IRJAFNOBWZDLHL-GFCCVEGCSA-N 269.348 3.833 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 1621149976 ZRLQUJZVDFVUDR-OAHLLOKOSA-N 256.393 3.879 30 20 CHED C=C[C@](C)(CC)c1nnc(-c2cccc(N(C)C)c2)o1 1327833897 MGQVYHHRNNVMAH-MRXNPFEDSA-N 271.364 3.656 30 20 CHED CC(C)(CCC#N)CNC(=S)Nc1cccc(F)c1F 1328934722 NJGQRRHOHVYPMZ-UHFFFAOYSA-N 297.374 3.581 30 20 CHED N#CCc1cccc(Nc2nc(C(F)(F)F)cs2)c1 1186470416 NNKCGHVKLKXBTL-UHFFFAOYSA-N 283.278 3.972 30 20 CHED C=CCC(C)(C)C(=O)N(CC)Cc1ccccc1F 1330286195 NCXRHCOILUGMFM-UHFFFAOYSA-N 263.356 3.777 30 20 CHED N#Cc1ccc(S[C@H](C(=O)C2CC2)c2ccccc2)nc1 1188612570 RJSIOAVZSAGSTG-KRWDZBQOSA-N 294.379 3.766 30 20 CHED C#CC[C@@H](C)OC(=O)c1cnc(-c2ccc(C)cc2C)s1 1343310239 SHEWKVSCVBKBKN-CYBMUJFWSA-N 299.395 3.996 30 20 CHED CC[C@@H](CC#N)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1342572505 ZSBKVEAHRCSWSC-JTQLQIEISA-N 289.766 3.552 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)Cc1ccccc1 1347521492 IZBJVVUIVQEOKH-DOTOQJQBSA-N 271.404 3.822 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(F)c2ccccc12 1355089137 QVYHHOOOXVEGFT-LBPRGKRZSA-N 284.334 3.743 30 20 CHED C=C(C)CCC(=O)Nc1ccc(F)cc1OCC(F)F 1353629593 SNYICTBHAZIXGN-UHFFFAOYSA-N 287.281 3.764 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@@H]1c1cccnc1)c1ccccc1 1518821943 TWONVDMXZCWUOJ-QZTJIDSGSA-N 292.382 3.715 30 20 CHED C=C(Cl)CN1[C@@H](C)c2ccc(F)cc2C[C@H]1C 1459779011 ULRMOZOWJLHIKX-MNOVXSKESA-N 253.748 3.886 30 20 CHED N#CC[C@H](OC(=O)CCCc1ccccc1)c1ccco1 1520424929 FFXKZRJQNLJVHM-INIZCTEOSA-N 283.327 3.800 30 20 CHED Cc1cc(Oc2cccc3c2CCCC3)ncc1C#N 1612061358 PRBUDRPRDRXLEZ-UHFFFAOYSA-N 264.328 3.933 30 20 CHED CCOc1ccc2nc(SCC(C)(C)CC#N)[nH]c2c1 1559328120 MYZKUBUYMAPCMW-UHFFFAOYSA-N 289.404 3.994 30 20 CHED N#Cc1cccc(Br)c1N1CCCCCC1 1639171511 KWLHMTGEKUMPJO-UHFFFAOYSA-N 279.181 3.701 30 20 CHED CC[C@H](CC(=O)Nc1n[nH]c2cc(C#N)c(C)cc12)C(C)C 1632033043 BAHJHPNPSJTDAM-GFCCVEGCSA-N 298.390 3.754 30 20 CHED C#CCCCCNCc1ccc(OCCCC)cc1 229743215 SSAWWEGUEAJFBF-UHFFFAOYSA-N 259.393 3.759 30 20 CHED C[C@H](c1nccc2ccccc12)N1CCC(CC#N)CC1 1657754044 JEHKGFADRMKRMX-CQSZACIVSA-N 279.387 3.921 30 20 CHED CCN(CCOc1ccccc1C#N)[C@H]1CCCC[C@@H]1C 1653296518 PTPZIIVOARMRSB-RDJZCZTQSA-N 286.419 3.838 30 20 CHED COc1ccc(C#N)cc1NC(=O)N[C@H](C)CC(C)(C)C 1666485980 LHCFOSHJSZWVSU-LLVKDONJSA-N 289.379 3.513 30 20 CHED CC1(C)CCC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 1666733835 TYKWPPBONUWGQH-CYBMUJFWSA-N 289.354 3.788 30 20 CHED C=CCCCCCOc1ccc([N+](=O)[O-])cc1C(C)=O 232467728 ZVJDNYSKUPHXNY-UHFFFAOYSA-N 277.320 3.923 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2sccc2C#N)C1 1671449272 DDFWBWQNXZOBOO-PWSUYJOCSA-N 277.393 3.710 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc([C@H](C)CC)cc1 1776148278 BXJGNEOCACPIGH-CZUORRHYSA-N 275.392 3.709 30 20 CHED CC(C)C[C@H]1CCCC1=NNc1ccc(CC(=O)O)cc1 1776085796 KUVJWLBFLMKYKK-CQSZACIVSA-N 288.391 3.928 30 20 CHED O=C(O)c1ccc(NN=CCCc2ccccc2)cc1F 1776073157 GOQSBLGWYWKULD-UHFFFAOYSA-N 286.306 3.554 30 20 CHED CC1(C)CCC/C(=C/c2cc(F)c(C(=O)O)cc2F)C1=O 1776550726 BSDRECBLVUROQJ-TWGQIWQCSA-N 294.297 3.826 30 20 CHED C=CCCNC(=O)CCSc1ccc(Cl)cc1 162262581 BPZCYQXZBLFYRF-UHFFFAOYSA-N 269.797 3.515 30 20 CHED C=CC[C@H](C)NC(=O)c1c(CC)oc2ccccc12 152279965 UCZNATDIOSAMBT-NSHDSACASA-N 257.333 3.690 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 155487153 COEDRFTZSHGGLA-QGZVFWFLSA-N 278.355 3.562 30 20 CHED CC(C)(C)c1ncc(C(=O)O[C@@H](C#N)C(C)(C)C)s1 154525128 OATPBRUIOGGYHT-JTQLQIEISA-N 280.393 3.536 30 20 CHED CCCN(Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 126625997 BRVVMGIHLIAISA-IBGZPJMESA-N 294.398 3.504 30 20 CHED CN(C(=O)c1ccc(Cl)c(F)c1)c1cccc(C#N)c1 127237219 YLPIFAXWGIFJAP-UHFFFAOYSA-N 288.709 3.627 30 20 CHED N#Cc1cc(NCc2ccccc2[N+](=O)[O-])ccc1Cl 35224488 XCIZYNSIDAIITI-UHFFFAOYSA-N 287.706 3.732 30 20 CHED COc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1F 36964027 HKLHZMJCBXSMAG-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#CCOc1cccc(CNCc2ccccc2Cl)c1 37198914 YVCIIDUHWVVRHH-UHFFFAOYSA-N 286.762 3.532 30 20 CHED Cc1cc(C)cc(CNc2cccc(F)c2C#N)c1 38076755 SIZLADVKYWAOCL-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=CCCCC(=O)Nc1cccc(Br)c1 175168489 LCUAYVASJJHPOE-UHFFFAOYSA-N 268.154 3.744 30 20 CHED C[C@@H](C#N)OCCN(Cc1ccccc1)Cc1ccccc1 307495054 IENSUSHYRJVRNV-KRWDZBQOSA-N 294.398 3.617 30 20 CHED Cc1ccc([C@@H](C)Nc2cc(C)nc(C#N)c2)cc1 308282089 WYYFQLIDKDUGEH-CYBMUJFWSA-N 251.333 3.743 30 20 CHED CC[C@H](C)[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N 78834677 QQMHFPGOQZBVKW-DTWKUNHWSA-N 271.286 3.819 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccccc1C(F)(F)F 320270827 LLPMITVXNIIOMV-NWDGAFQWSA-N 287.325 3.683 30 20 CHED N#CC1(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCCC1 329651462 KIPMSPUVBIXAFD-BFHYXJOUSA-N 260.381 3.996 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 710321063 ZSEIJPCEYWXAEZ-LSDHHAIUSA-N 263.425 3.901 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCc2ccc(O)cc21 690768114 VQHMUBDAJIZQSU-INIZCTEOSA-N 268.291 3.502 30 20 CHED N#C[C@@H]1CCCN(Cc2cc3ccccc3nc2Cl)C1 693951259 MEXLSZUDCWSJOY-LBPRGKRZSA-N 285.778 3.624 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cc(OC)ccc1OC 384904733 BTPZIUWYHAPKBS-LBPRGKRZSA-N 263.381 3.567 30 20 CHED CC1CC(COc2cc(Br)ccc2C#N)C1 1307354511 NYNQXLSDZCEYQF-UHFFFAOYSA-N 280.165 3.746 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N(C)CCCCC#N 102396807 KOQJGGNPCNLMQJ-NSHDSACASA-N 252.308 3.651 30 20 CHED N#Cc1ccc(OCCSc2nc3ccccc3o2)cc1 10963644 VJOPBAKFNHNNRT-UHFFFAOYSA-N 296.351 3.871 30 20 CHED CCCCCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 175013513 VHQDJIAQTDBVDB-UHFFFAOYSA-N 297.320 3.753 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1ccc(O)cc1 57788783 DYUICIXTKPMGTA-RUDMXATFSA-N 290.265 3.890 30 20 CHED N#CC1(NC(=O)C2CCC(c3ccccc3)CC2)CCCC1 173078379 CQWHBEBZRCHQNI-UHFFFAOYSA-N 296.414 3.913 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1CCc2ccccc21 115371814 MVMKMBVBNZZXSX-INIZCTEOSA-N 298.430 3.895 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C)cc1 62904439 JBGHHRZQKSAXAR-UHFFFAOYSA-N 290.366 3.695 30 20 CHED CN(C(=O)CC1(C)CCCCC1)c1cccc(C#N)c1 119756880 HGPTWZMFCWBHGG-UHFFFAOYSA-N 270.376 3.882 30 20 CHED COc1cccc(CCCN[C@H](C)c2ccc(C#N)cc2)c1 174045666 SSVOZHFQFHTMRJ-OAHLLOKOSA-N 294.398 3.850 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 25535631 DYPLIGJKKOWYPE-QGZVFWFLSA-N 294.329 3.675 30 20 CHED CCCC(CCC)SCC(=O)N[C@](C)(C#N)C(C)C 69298003 VREZAGCFSCIPJQ-OAHLLOKOSA-N 284.469 3.743 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)/C=C/C1CCCCC1 117598260 NFRAECUURQJTPX-ZHACJKMWSA-N 282.387 3.653 30 20 CHED Cc1nnc(N[C@@H](C)c2cc3ccccc3o2)c(C#N)c1C 24054647 IBFUPGSFIPOUKA-LBPRGKRZSA-N 292.342 3.884 30 20 CHED N#Cc1cccc(N(CC2CC2)C2CCCCC2)n1 301844401 LPCIYZPBXLWHMY-UHFFFAOYSA-N 255.365 3.502 30 20 CHED CCN(CCC#N)c1cnc2cc(Cl)c(Cl)cc2n1 302131999 CCSXINHTAMPFMV-UHFFFAOYSA-N 295.173 3.677 30 20 CHED C=CCCCC(=O)Nc1ccc(N(C)C)c(Cl)c1 175375319 SORYNFRPLCUMNM-UHFFFAOYSA-N 266.772 3.701 30 20 CHED C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 173925091 LOFIIFKBZXZSDZ-RVKKMQEKSA-N 286.419 3.804 30 20 CHED C[C@@H](CC#N)OC(=O)C1c2ccccc2Oc2ccccc21 1263292738 QYBKIZCVGNSOLP-LBPRGKRZSA-N 293.322 3.770 30 20 CHED C=CCCCC(=O)N(CC)Cc1c(F)cccc1F 175510241 KDBXLIWEKCHOSU-UHFFFAOYSA-N 267.319 3.670 30 20 CHED Cc1c(C(=O)O[C@H]2CC[C@H](C#N)C2)oc2c(F)cccc12 1342575320 OMYNXCSXYHUSPB-QWRGUYRKSA-N 287.290 3.729 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)c1ccc(Cl)s1 178855641 SANJESDOEHMPQI-JTQLQIEISA-N 269.797 3.706 30 20 CHED CC[C@H](C#N)OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 176008469 MIWLOKPAVGYDGJ-JLLWLGSASA-N 298.169 3.942 30 20 CHED N#CCOc1ccc(NCc2cc3ccccc3o2)cc1 20126588 GZKMLYUOEBJVFO-UHFFFAOYSA-N 278.311 3.947 30 20 CHED N#Cc1ccccc1SCc1ccc(Cl)nc1 172680523 OIHNOPZPMWYOPV-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CO[C@@]1(C)C[C@@H](Nc2c(C#N)cnc3ccccc23)C1(C)C 301420236 HVRZPXYPMKORAI-QAPCUYQASA-N 295.386 3.722 30 20 CHED N#Cc1cccc(C#N)c1NCc1ccc(Cl)cc1 302464053 SEQIBGAGZHTAHS-UHFFFAOYSA-N 267.719 3.695 30 20 CHED CC(C)c1noc(CSCc2cc(C#N)ccc2F)n1 170941521 BAAIOCZVVDDIJM-UHFFFAOYSA-N 291.351 3.637 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(c2ccc(C#N)cc2)C1 302154606 VKTXUCYLBDGCSH-GUYCJALGSA-N 263.344 3.541 30 20 CHED C=C(C)CNC(=O)CCSc1ccccc1Cl 123074147 ZVXRMUGWJWPBHU-UHFFFAOYSA-N 269.797 3.515 30 20 CHED C=CC1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1 129965489 RRVPORAMWORILQ-UHFFFAOYSA-N 292.382 3.787 30 20 CHED Cn1ncc(Cl)c1/C=C/C(=O)c1ccc(Cl)s1 122606372 UOYQYRSNXJOEGC-NSCUHMNNSA-N 287.171 3.685 30 20 CHED N#Cc1ccc(N2CCC(c3ccc(Cl)cc3)CC2)cn1 185958001 XMNCCUOJYXSWMP-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C=CCC[C@H](NCc1noc(C(C)C)n1)c1ccccc1 180041976 PRUHLMWJOAGSPS-HNNXBMFYSA-N 285.391 3.990 30 20 CHED N#Cc1cccc(Oc2ccccc2OCC(F)(F)F)n1 301814935 CXDLEMDSAIOHRC-UHFFFAOYSA-N 294.232 3.687 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 185668367 NNQWAWRJRPOFMH-HZPDHXFCSA-N 291.483 3.559 30 20 CHED CC#CCCCC(=O)N1CCC(c2ccccc2)CC1 185088400 VCRWGQIWTXUZBN-UHFFFAOYSA-N 269.388 3.586 30 20 CHED C=C(C)CN(CC)C(=O)c1csc(-c2ccc(C)o2)n1 78776892 HBUYOHDFAIDQMK-UHFFFAOYSA-N 290.388 3.750 30 20 CHED C=CC[C@@H](C(=O)NCc1cccs1)c1ccccc1 186097584 AGOXTAVYOZWIQS-OAHLLOKOSA-N 271.385 3.724 30 20 CHED CC#CCCCC(=O)NCc1ccccc1OC1CCCC1 185212183 MNKKMLGXAFVZHT-UHFFFAOYSA-N 299.414 3.818 30 20 CHED COc1cc(OCc2ccccc2Cl)ccc1C#N 435791904 ROUQPTKEKPCZJM-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CC(C)c1ccc(CS(=O)(=O)CCC(C)(C)C#N)cc1 78799246 CZOQOALMFRLUPL-UHFFFAOYSA-N 293.432 3.665 30 20 CHED C=CCCCCN[C@H](C)Cc1cc(OC)c(OC)cc1C 502436911 RMOYUNOHAVVHAB-OAHLLOKOSA-N 291.435 3.889 30 20 CHED C=CCC[C@H](C(=O)N1CCOC2(CCC2)C1)c1ccccc1 188905201 IYVGNGKQFNYDCD-KRWDZBQOSA-N 299.414 3.518 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(C)c1cc(Cl)ccc1C#N 180975420 NUWUEWFSKISGBH-QWRGUYRKSA-N 278.783 3.857 30 20 CHED N#CCc1ccc(NCc2ccccc2N2CCCC2)cc1 315551778 XGSATIMVQNFNQJ-UHFFFAOYSA-N 291.398 3.965 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(N[C@@H]2CCC[C@H](C#N)C2)c1 185732422 KWXXMTPQGCVJBE-JKSUJKDBSA-N 294.402 3.983 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H](c2ccccc2)C2CC2)C1 185767935 VPMVWFACYSOUFB-RRQGHBQHSA-N 254.377 3.810 30 20 CHED CC(C)(C)c1csc(NC(=O)Cc2ccoc2)c1C#N 410929624 NNMLCOVNZFJDGM-UHFFFAOYSA-N 288.372 3.691 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1cccc(C(F)(F)F)c1 181608487 GRSCXKLPRZXMMI-RISCZKNCSA-N 287.325 3.683 30 20 CHED CC(C)c1ccc(-n2ccnc2S[C@@H](C)C#N)cc1 78342717 UBUSESCPFMGWOE-LBPRGKRZSA-N 271.389 4.000 30 20 CHED Cc1cnc([C@H](C)NCc2ccc(Cl)cc2C#N)s1 187525992 GAUPWYGCFAPKBB-JTQLQIEISA-N 291.807 3.827 30 20 CHED C[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Br 501938598 NFMZHCDYODLZRV-HZMBPMFUSA-N 293.208 3.599 30 20 CHED N#Cc1ccc(F)cc1CN1CCSC2(CCC2)CC1 411863902 DBGRDBPVDUACOM-UHFFFAOYSA-N 290.407 3.559 30 20 CHED CC[C@H](NC1(c2cccc(C#N)c2)CC1)[C@H]1C[C@H]1C 414092278 FPKMHXRKINMIJV-KCXAZCMYSA-N 254.377 3.572 30 20 CHED CC(C)=CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 48553417 MGHGJXOSIDDFLP-CYBMUJFWSA-N 282.368 3.953 30 20 CHED CC#CCCCC(=O)N(C)Cc1ccccc1C(F)(F)F 184993823 WIOJOQDIDOVQAB-UHFFFAOYSA-N 297.320 3.857 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cnn(CCC)c1 180981207 ZVKIUCNHPFRCBF-UHFFFAOYSA-N 289.423 3.502 30 20 CHED C[C@H]1CN(c2cccc(Cl)c2C#N)CCC1(F)F 450530071 BVHBBRFAGWKHPG-VIFPVBQESA-N 270.710 3.693 30 20 CHED C=C[C@H](CCC(=O)O)NCC1CCC(C(C)(C)C)CC1 417630175 TYDDROQJWFGJSO-YMAMQOFZSA-N 281.440 3.848 30 20 CHED O=C1CC[C@H](/C(O)=N/[C@H]2CCCC(F)(F)C2)n2cccc21 329830834 FIGZVNRWUAPJFR-CMPLNLGQSA-N 296.317 3.540 30 20 CHED CC(C)(C)c1nnc(SCc2cccc(C#N)c2)o1 42569532 ZWTUBZGECBVGTB-UHFFFAOYSA-N 273.361 3.531 30 20 CHED C=CCOc1cccc(CN2CCc3sccc3C2)c1 506668085 GWSZJHNAEYODMD-UHFFFAOYSA-N 285.412 3.871 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)cc1)c1c(F)cccc1F 133749403 XMNVTURHBZSWFT-JTQLQIEISA-N 286.281 3.579 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1C 509507810 AYCMPUKJXURAAY-KRWDZBQOSA-N 292.382 3.618 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@@H]1C[C@H]2C=C[C@H]1C2 329292411 IZXJPBKCUSDQKS-RLPMIEJPSA-N 290.407 3.689 30 20 CHED C[C@H](Cc1ccsc1)NC1CC(C#N)(c2ccccc2)C1 86037575 AJGMSPJANVALEH-RWBZWWBESA-N 296.439 3.893 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCC1 190264008 JQVLJOZLMZTWHT-UHFFFAOYSA-N 274.320 3.588 30 20 CHED Cc1ccc(CN(C(=O)NCC(C)(C)C#N)C2CC2)cc1C 512912197 NKPOTCDUINSPCU-UHFFFAOYSA-N 299.418 3.527 30 20 CHED Cc1ncsc1C/N=C(/O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C 329947302 YIZSIFMVJWUELF-KOLCDFICSA-N 294.420 3.549 30 20 CHED OC1=N[C@H](/C(O)=N/[C@H]2CSc3ccccc32)CCCC1 329867683 WJDJUTBMUNAHPS-RYUDHWBXSA-N 290.388 3.689 30 20 CHED N#Cc1csc(CN[C@H](CC(F)F)c2ccccc2)n1 420992364 KOSRJKOPINYOMV-GFCCVEGCSA-N 293.342 3.501 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1csnn1)CC2 130837628 XLAYHWVMKAXEHT-QPEQYQDCSA-N 284.384 3.874 30 20 CHED CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)C[C@@H](CC)O1 420957660 OKAIKSDZASPBGR-IAOVAPTHSA-N 272.392 3.509 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OCC(F)F)cc1 424697697 DMXZXYOXSVBGNI-UHFFFAOYSA-N 283.318 3.871 30 20 CHED C=C1CCN(C(=O)CCOc2ccc(C(C)C)cc2)CC1 518691652 OBCUVEDKWFYZNY-UHFFFAOYSA-N 287.403 3.758 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 332178553 RSJSONLVLFBOLY-SWLSCSKDSA-N 297.402 3.597 30 20 CHED CCc1noc(C)c1/C(O)=N/C(C)(C)c1nc(C)cs1 330843933 ZAAQNRDMTCTKGZ-UHFFFAOYSA-N 293.392 3.550 30 20 CHED CN(CC1CCCCC1)[C@@H](C(=N)O)c1ccc(C#N)cc1 330797746 GUXNOWZXBLZYSU-MRXNPFEDSA-N 285.391 3.647 30 20 CHED Oc1ccccc1/C=N/Cc1ccc2ncccc2c1 195162904 KGVIQRGWIRWCFU-LDADJPATSA-N 262.312 3.560 30 20 CHED COCCCCCSCc1cccc(F)c1C#N 427841128 XWZIWYXAPFXNBQ-UHFFFAOYSA-N 267.369 3.747 30 20 CHED N#CCN(C(=O)C/C=C/c1ccccc1F)C1CCCC1 426343314 PEAPVYVQUYGOLR-FNORWQNLSA-N 286.350 3.524 30 20 CHED Cc1cccc2c(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)coc12 332358863 WDSNMKIWPOQZOP-XIKOKIGWSA-N 296.370 3.944 30 20 CHED C[C@H](CC(=O)NCc1cccc(C#N)c1)c1ccccc1F 338855979 WJMDJBRMJNXLGJ-CYBMUJFWSA-N 296.345 3.507 30 20 CHED C=CCCOCCN[C@H](C)c1sc(C(C)C)nc1C 90883746 FKZUZDODEXDGHT-GFCCVEGCSA-N 282.453 3.818 30 20 CHED CN(C)c1cc(C#N)cc(C(=O)Nc2ccccc2Cl)c1 336140218 YOPSAEZRSQRGIH-UHFFFAOYSA-N 299.761 3.530 30 20 CHED CSCc1ccc(C(=O)N[C@@](C)(C#N)CC(C)C)cc1 339967219 VRFMJKOKIXNTQA-MRXNPFEDSA-N 290.432 3.608 30 20 CHED CC1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCCCC1 333527049 IGDZMUVUOCBWLE-KRWDZBQOSA-N 274.408 3.547 30 20 CHED C=CC[C@@H](CC)NCc1ccc(-c2cnn(C)c2)s1 337878859 WQURBGRJOFYPMV-CYBMUJFWSA-N 275.421 3.593 30 20 CHED COCCC1CCN([C@@H](C)c2ccc(C#N)c(F)c2)CC1 527938053 YAZMIXQGBKLJGF-ZDUSSCGKSA-N 290.382 3.507 30 20 CHED C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1CC#N 344325249 AKAIDVINYKDCJI-CYBMUJFWSA-N 296.395 3.872 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 343348417 MFSLNJSGTJOOIV-VIFPVBQESA-N 297.185 3.644 30 20 CHED C=CC[C@H]1N(C(=O)CC(C)(F)F)CCCC1(C)C 347417391 AAAMFQJKWINWBI-LLVKDONJSA-N 259.340 3.625 30 20 CHED N#Cc1ccnc(N(CC2CCC2)CC2CC2)c1Cl 343032451 GNQLMTLLUVJMLE-UHFFFAOYSA-N 275.783 3.623 30 20 CHED CCN(CCC#N)CCOc1cc(Cl)cc(Cl)c1 348543659 LKGPUOYCMAAUBJ-UHFFFAOYSA-N 287.190 3.608 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)c1ccccc1OC 438870673 MYYQDQCIPQEQSU-UHFFFAOYSA-N 296.370 3.602 30 20 CHED CC(=O)c1ccc(C#N)c(NCC(C)(C)CCC#N)c1 340931418 CTDDURYUIOFOPZ-UHFFFAOYSA-N 269.348 3.503 30 20 CHED CC(C)(C)CN(CCC#N)Cc1nc(C2CC2)cs1 343525827 KMALJXOVOFRZRG-UHFFFAOYSA-N 277.437 3.782 30 20 CHED C=CCOCCCN1CC[C@H](c2ccccc2)C[C@@H]1C 439332513 SYZSNZDVDMNCML-WMZOPIPTSA-N 273.420 3.847 30 20 CHED C=CCOc1ccc(-c2nc([C@@H]3CC[C@H](C)O3)no2)cc1 528248417 HPQBHKQOJWVRQZ-FZMZJTMJSA-N 286.331 3.541 30 20 CHED C=CCC[C@H](NC[C@H](C)Oc1ccccc1F)C1CC1 438988275 CKSBAKCGCUIEKY-BBRMVZONSA-N 277.383 3.927 30 20 CHED CC(C)(C)C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccccc1 346681695 ZHBBYXJCESUZQX-MRXNPFEDSA-N 295.386 3.794 30 20 CHED CCOc1ccc(O)c(C=Nc2cccc(COC)c2)c1 255009516 VZNALGWKGGWVHX-UHFFFAOYSA-N 285.343 3.688 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1ccccc1C 529199503 PPCKGJXDSCCLKY-NVXWUHKLSA-N 271.404 3.741 30 20 CHED C[C@@H](N(C)CC#Cc1ccc(Cl)cc1)C1(C)CC1 437545660 ZYQGBNVHNDOHDO-CYBMUJFWSA-N 261.796 3.812 30 20 CHED C=CCSc1ccccc1C(=O)NCCC1(C)CC1 348632548 AHVNOPOJYZKHBI-UHFFFAOYSA-N 275.417 3.885 30 20 CHED CC(C)Oc1cccc([C@H](C)NCc2cccc(C#N)n2)c1 602514797 QLLISHNIOJSJNN-AWEZNQCLSA-N 295.386 3.591 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(Cl)nc3ccccn23)o1 255550483 SZXRCSRDQUOOPX-SREVYHEPSA-N 286.718 3.785 30 20 CHED C=CC[C@@H]1N(C(=O)CC[C@H]2CC[C@@H](C)O2)CCCC1(C)C 347496401 YARAOSJASUHAGF-OAGGEKHMSA-N 293.451 3.927 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(C)CCCC1 606921702 CWQIWSSRGDHYJM-UHFFFAOYSA-N 266.429 3.955 30 20 CHED CN(c1ccc(C(F)(F)F)c(C#N)n1)C(C1CC1)C1CC1 443519993 QEVILANSKHBUOP-UHFFFAOYSA-N 295.308 3.597 30 20 CHED C/C(=C/C(=O)OCCCC#N)c1ccccc1Cl 254937522 RWFXXNDXLCEPDC-KHPPLWFESA-N 263.724 3.590 30 20 CHED N#CCCN(Cc1ccc2ccccc2c1)C1CC1 299116518 DGDIBNNWCPLNFO-UHFFFAOYSA-N 250.345 3.718 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(C#N)n1 602563968 KBDDWBFMAGJDLS-KZULUSFZSA-N 295.361 3.506 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(CCC#N)CC(F)(F)F 356256916 CEEUBSGRRFOVJD-NEPJUHHUSA-N 290.329 3.507 30 20 CHED CS[C@@H](C)CCC(=O)Nc1ccc(Cl)c(C#N)c1 358474631 OCHFIEGPFMHPKM-VIFPVBQESA-N 282.796 3.682 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)Nc1cc(CC#N)ccn1 531924589 KKTHDWDIAWXDMJ-INIZCTEOSA-N 299.418 3.939 30 20 CHED CCCC[C@@H](CC)CN[C@H](C)CC1(C#N)CCOCC1 602502649 HURXQRYVZTXYRU-HZPDHXFCSA-N 280.456 3.891 30 20 CHED N#Cc1cccc(CNC2CCC(c3ccccc3)CC2)n1 602594663 ZNAFNPLHQOYEMI-UHFFFAOYSA-N 291.398 3.769 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 603996066 FMRSKGSWYVNGGU-CMPLNLGQSA-N 288.416 3.873 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 531355468 FDWHNSKOYRDIQJ-AEGPPILISA-N 297.402 3.755 30 20 CHED COC(=O)c1cc(N[C@@H]2CCC[C@@H](C#N)C2)c(C)cc1C 446807493 ZVKPEQHYXQUWJI-ZIAGYGMSSA-N 286.375 3.584 30 20 CHED N#Cc1ccncc1NCc1ccc(OC2CCCC2)cc1 354561970 ODLSWRZHPOWNDF-UHFFFAOYSA-N 293.370 3.887 30 20 CHED N#C[C@H]1CC[C@H](NCCCSc2ccc(F)cc2)C1 442636551 TXNODDFYZQVEGM-JSGCOSHPSA-N 278.396 3.590 30 20 CHED Cc1cccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2C#N)c1C 265219878 OIGIDDBMNAEYBE-GFCCVEGCSA-N 296.330 3.651 30 20 CHED N#Cc1ncccc1N[C@@H]1C[C@H]1c1ccc(Cl)cc1 357679176 HEKZOZXKVVQQLM-GXTWGEPZSA-N 269.735 3.575 30 20 CHED CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2C)C12CCC2 614402941 ZPECBOVDOYOEGC-ZWKOTPCHSA-N 298.430 3.646 30 20 CHED Cn1c(CSc2ccc(C#N)cc2)nc2ccccc21 355909940 BZWVSQVSEWXXSH-UHFFFAOYSA-N 279.368 3.737 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)s2)c2ncccc2c1 351818304 GIYKLJROPINFQH-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ncnc2ccsc12 618694158 ZXQOHJLZYTWPIK-CYBMUJFWSA-N 292.367 3.662 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc2ccccc2o1 264068877 NOJIQCOVBFSIGZ-UHFFFAOYSA-N 284.359 3.835 30 20 CHED C[C@H](NC(=O)Nc1ccsc1)c1cccc(C#N)c1 610781276 OGBNCDBQOZZWKN-JTQLQIEISA-N 271.345 3.502 30 20 CHED CCOc1c(Cl)cccc1CNCC(C)(C)CC#N 459733616 QOAGYPCIJVANRX-UHFFFAOYSA-N 280.799 3.768 30 20 CHED Cc1cccnc1[C@H]1CCC[C@@H](NCC2(CC#N)CC2)C1 366967582 YOEVVUDGMUUBHV-JKSUJKDBSA-N 283.419 3.700 30 20 CHED Cc1cc([C@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)c(C)o1 360112451 XSGMRQDDVZJAQW-OLZOCXBDSA-N 296.370 3.749 30 20 CHED C=CCNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 363093898 NFUOHYLIQIRKPG-ZDUSSCGKSA-N 298.308 3.738 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cnc(C#N)c(Cl)c1 455751681 BBTNYKXMPXUQCF-JTQLQIEISA-N 294.786 3.649 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ncc(-c2ccccc2)o1 274416491 HYLHSVFBAVNOIT-YDHLFZDLSA-N 281.359 3.684 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 542949662 NBDQYOFIWMBDEW-YESZJQIVSA-N 286.419 3.977 30 20 CHED C=CCCN(CCCOc1ccccc1)C1CCOCC1 545924491 SJVBXKJXMPSBLS-UHFFFAOYSA-N 289.419 3.513 30 20 CHED C=CCC1(NC(=O)C[C@H](OCC)C(=C)C)CCCCC1 456365886 LUVHKARDLOMYKB-HNNXBMFYSA-N 279.424 3.753 30 20 CHED Cc1cc(NCc2cccc(C#N)c2)ccc1CN(C)C 459740831 MIXGRKWBRBSCQV-UHFFFAOYSA-N 279.387 3.540 30 20 CHED COc1cccc2c(NCCCCC#N)c(C)cnc12 276356025 VDTNFVBYTWEYQF-UHFFFAOYSA-N 269.348 3.658 30 20 CHED CCc1ccc([C@H](C)CC(=O)N2CCC(CC#N)CC2)cc1 543832403 BAJNRWOSAQKHIO-OAHLLOKOSA-N 298.430 3.895 30 20 CHED C=C[C@@H](CC(=O)N1CC2(CCCC2)C1)c1ccccc1 366681024 NYLIAQJXGFFVTC-HNNXBMFYSA-N 269.388 3.749 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H](c3ccccc3)C2)c1C#N 543138046 CKFMZPQLCREZQD-CQSZACIVSA-N 297.789 3.909 30 20 CHED CN(C/C=C/c1ccc(F)cc1F)Cc1cccc(C#N)c1 544609686 QGEUUTKJHHDJMA-ZZXKWVIFSA-N 298.336 3.982 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1CCC(F)(F)F 465243303 SIAWFGPXTHELFV-SNVBAGLBSA-N 286.297 3.878 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1c(Cl)cccc1Cl 285021897 BVGSGFOOLJAWIG-CQSZACIVSA-N 299.201 3.892 30 20 CHED CCOc1cccc([C@@H](C)Nc2ccnc(C#N)c2)c1 286445801 WYTDLFVAVBRMNQ-GFCCVEGCSA-N 267.332 3.525 30 20 CHED C=CCC(CC=C)C(=O)N(CC(C)C)CC(C)C 467531980 ZRUWYRZXQQSYPU-UHFFFAOYSA-N 251.414 3.895 30 20 CHED C=CCCOCC(=O)N(CCC)[C@@H]1CCc2ccccc21 620328238 PWRLHHMUHHKQRI-QGZVFWFLSA-N 287.403 3.505 30 20 CHED CC(C)(NCC1(C#N)CC1)c1cccc(C(F)(F)F)c1 553277659 SJEOKSMLTSCNBN-UHFFFAOYSA-N 282.309 3.834 30 20 CHED C=CCC1(C(=O)N2CC(C)(c3ccccc3)C2)CCC1 622209229 IPAYSMKBNLSAIR-UHFFFAOYSA-N 269.388 3.533 30 20 CHED C=C(C)C[C@@H](C)c1nc(Cc2nc3c(C)cccc3[nH]2)no1 288980852 IIQPMFXYPCTXLM-GFCCVEGCSA-N 296.374 3.915 30 20 CHED C[C@H](C(=O)N[C@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 462327012 VHYRNJRAIMYXNJ-BBRMVZONSA-N 284.403 3.747 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)sc1C 557900104 NXOHITFANVWGBA-INIZCTEOSA-N 290.432 3.957 30 20 CHED CCSCc1ccccc1C(=O)N[C@@H](C#N)C(C)(C)C 280579705 WNXMSOQURSFOCU-AWEZNQCLSA-N 290.432 3.608 30 20 CHED C=C[C@](C)(O)CC(=O)N(CCCC)[C@H]1CCC[C@@H](C)C1 554624145 IURQAWZMDVJXFX-VYDXJSESSA-N 281.440 3.521 30 20 CHED C=CCCN(C)C(=O)C1(c2cccc(C)c2)CCCC1 467079951 BGPCZKMEOCYULE-UHFFFAOYSA-N 271.404 3.841 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCCC12CCCCC2 377036466 ZKQQLFIGIKYITE-UHFFFAOYSA-N 291.439 3.825 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2C[C@]2(C)CC)c1 466301176 ZJHLAKPFUUILFT-HOCLYGCPSA-N 259.349 3.626 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](CO)c1ccccc1Cl 554085419 BOFZFIJSDJDXIL-IHRRRGAJSA-N 281.827 3.606 30 20 CHED C=C(C)CCc1noc(C(F)(F)c2ccc(OC)cc2)n1 285009306 DSORAOJHTSRJAZ-UHFFFAOYSA-N 294.301 3.727 30 20 CHED Cc1cc(N2CCC[C@H]2Cc2ccc(F)cc2)cc(C#N)n1 552951823 GUUKTNPLFQGDOU-KRWDZBQOSA-N 295.361 3.612 30 20 CHED C=CCC[C@@H](NCC(F)(F)c1cccc(OC)n1)C1CC1 556924272 QLXANNIUCZXFGX-CYBMUJFWSA-N 296.361 3.516 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C(C)C)[nH]n1 473378672 HCVMJQXKIVZVOJ-UHFFFAOYSA-N 297.402 3.752 30 20 CHED C=CCC[C@@H](NC(=O)c1oc(CC)nc1C)c1ccccc1 293656910 ITUJQTNKHDCMHP-OAHLLOKOSA-N 298.386 3.983 30 20 CHED CC[C@H]1CC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 558256653 UYOMXRFRSLFYSO-DZGCQCFKSA-N 281.321 3.835 30 20 CHED Cc1sccc1C(=O)N[C@@H](CCC#N)c1ccccc1 295493823 QHZBIYMLKMELFG-HNNXBMFYSA-N 284.384 3.831 30 20 CHED Cc1cn2nc(Nc3ccc(C(C)(C)C#N)cc3)sc2n1 298705565 INCYEBSOZYJGEN-UHFFFAOYSA-N 297.387 3.644 30 20 CHED C=C(C)CN(C)C(=O)Cc1ccc(C(C)(C)C)cc1 479242314 KCRYPYSUQQIYHQ-UHFFFAOYSA-N 259.393 3.561 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(NC(=O)CC)cc1 293164179 XQAOXLACTPOYFO-UHFFFAOYSA-N 274.364 3.576 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCCC 553121578 ZGESYIGCPSHBGA-UHFFFAOYSA-N 291.439 3.949 30 20 CHED C=CCCCCNC(=O)CCc1c[nH]c2cc(C)ccc12 471707403 WGGHVDKNOQXNCI-UHFFFAOYSA-N 284.403 3.881 30 20 CHED C[C@H]1CCC[C@@H](C)N(c2nc(Cl)c(C#N)s2)C1 804502989 DDJLUZQOJXRXCJ-DTWKUNHWSA-N 269.801 3.683 30 20 CHED C=CCN(CCC#N)Cc1nc(-c2cccs2)oc1C 292164268 LGBDLTRTZWEDRL-UHFFFAOYSA-N 287.388 3.613 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 294560111 ZDLHXGYAHLRCKO-CQSZACIVSA-N 297.354 3.515 30 20 CHED C[C@H](C#N)OCCSCCCOc1ccc(Cl)cc1 802749934 SCJMJFOOAVXMDG-GFCCVEGCSA-N 299.823 3.771 30 20 CHED Cc1c(C(=O)OCCCSCC#N)oc2ccccc12 805327483 TXFHFHZXUGEJCJ-UHFFFAOYSA-N 289.356 3.545 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2ccc(C#N)cc2)CC12CCC2 291705321 GXANVYPJDGVVON-OAHLLOKOSA-N 283.375 3.601 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C\c2ccsc2)cc1 809258588 YKUUVROIWCSPNG-SBSDFTTDSA-N 296.395 3.705 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Oc2cccnc2)cc1 809163951 JYMPMKIGILDJHR-UHFFFAOYSA-N 299.399 3.736 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cc(F)ccc2C)cc1 561863115 CLMLLSOHNQUWHR-QGZVFWFLSA-N 296.345 3.691 30 20 CHED C#Cc1ccc(CN2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)cc1 809549506 JGBUHOLLFCSJEU-QKLQHJQFSA-N 296.458 3.505 30 20 CHED Cc1cc(C#N)cc(NC2CCC3(CCCO3)CC2)c1 560156551 KKPMMDSOVXRMDR-UHFFFAOYSA-N 270.376 3.770 30 20 CHED Cc1cc(CNCc2ccc(C#N)c(Cl)c2)c(C)o1 800896038 UUECQIIFWQTJTO-UHFFFAOYSA-N 274.751 3.711 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H]1CCc2c(C)cccc21 569782799 ZSXJYPXANFGOKF-YOEHRIQHSA-N 284.403 3.732 30 20 CHED CCC[C@H](NC[C@H](O)c1ccc(C#N)cc1)C1CCCC1 819366501 QXMVGPJXQRNKGE-ROUUACIJSA-N 286.419 3.540 30 20 CHED N#Cc1ccc(CN2CCOc3c(Cl)cccc32)cc1 481060634 QDGNKPQADWLXRI-UHFFFAOYSA-N 284.746 3.611 30 20 CHED CC(=O)c1c(C)cc(C)c(COC(=O)CCCC#N)c1C 812615736 OVLZREFYPJQQRH-UHFFFAOYSA-N 287.359 3.552 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C(F)(F)F)ccc1O 815877364 NLKOUJNQVMZPJC-UHFFFAOYSA-N 295.207 3.561 30 20 CHED CCC(C)(C)OCc1cccc(NC(=O)[C@H](C)C#N)c1C 488869665 BEPTVXFEIARVKV-GFCCVEGCSA-N 288.391 3.798 30 20 CHED Cc1nc(C(C)C)ccc1COC(=O)C#Cc1ccccc1 815179850 XHMJECBMBZDTNW-UHFFFAOYSA-N 293.366 3.608 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1oc(Br)cc1C 488865492 VKZLFVSHQMUUIG-SNVBAGLBSA-N 298.180 3.531 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1C[C@H]3CC[C@H]1C3)CC2 577090316 LPWHTLMZBKVQRQ-RPZXMPESSA-N 266.388 3.571 30 20 CHED Fc1ccc2[nH]c3c(c2c1)C(=NOCC1CC1)CCC3 814243408 UPCQUCQMLFUOEB-UHFFFAOYSA-N 272.323 3.774 30 20 CHED CC1CC(C#N)(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)C1 570571088 GJVYESPBNVRXKM-YQSWOPOKSA-N 296.414 3.769 30 20 CHED C=CC[C@@H](C)[C@H](C)NCC(C)(C)c1ncccc1C 571814124 MTMDIBYMJKERJQ-HIFRSBDPSA-N 260.425 3.858 30 20 CHED CCCN(Cc1ccc(Cl)cc1C#N)CC1CC1 480496492 DGHQBCLXOBNDFV-UHFFFAOYSA-N 262.784 3.834 30 20 CHED N#Cc1ncccc1N1CCC(OCC2CCCCC2)CC1 575633282 CNXFJNSYMIJDNO-UHFFFAOYSA-N 299.418 3.519 30 20 CHED CCO[C@@H](CC)C(=O)Nc1scc(C(C)(C)C)c1C#N 570425259 OGEIJTSRFNQMSR-LBPRGKRZSA-N 294.420 3.671 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@H](C2CC2)C1 487113891 XSZOWMCWGHZJFC-LBPRGKRZSA-N 297.789 3.996 30 20 CHED C#C[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccc(Cl)cc1 811947995 VDHPPQGQEWJJBZ-BBRMVZONSA-N 287.790 3.877 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCCC[C@@H]2C(C)C)CC1 482642712 PQCBSTNOYURVHE-QZTJIDSGSA-N 278.484 3.831 30 20 CHED Cc1cc(F)c(C=NNC2CCCCC2)c(F)c1 819809137 ALJSORPWKYIGLG-UHFFFAOYSA-N 252.308 3.529 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)cc(Cl)c1 488813470 IAMCSZDMRKKODS-CQSZACIVSA-N 263.768 3.829 30 20 CHED Cc1cc(Br)ccc1NN=Cc1cccn1C 728432978 LSDOWDSPHACINM-UHFFFAOYSA-N 292.180 3.542 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)C(C)(C)c1ccccc1 815342568 YKWPNBGPGGTUHD-GFCCVEGCSA-N 281.346 3.680 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2ccc(F)cc21 484863440 XWMBLUJOMCWOBS-GFCCVEGCSA-N 266.319 3.821 30 20 CHED C[C@H](NCCOc1cccc(C#N)c1)[C@H](C)c1ccccc1 495400836 GCRQWOYWNUCNEE-HOTGVXAUSA-N 294.398 3.719 30 20 CHED C#Cc1cccc(NC(=S)NN=C(C)CCCCC)c1 727262032 RVAHMMXBOHOSRM-UHFFFAOYSA-N 287.432 3.911 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@H](C)[C@H]1CC 570730672 DUFPZJXQKUENMJ-HZSPNIEDSA-N 276.428 3.602 30 20 CHED O=C(/C=C\c1ccccc1F)c1ccc([N+](=O)[O-])cc1F 821002453 LSTGXXCATSGCRE-YVMONPNESA-N 289.237 3.769 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Cl)cc1SC 667379136 URVPQQGSRCCHNN-UHFFFAOYSA-N 270.785 3.760 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 491231606 UTVSLFZFXOSDJR-NXEZZACHSA-N 299.201 3.718 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Cl)cc(C)c1O 490825843 WTZPBILAQDTDBK-UHFFFAOYSA-N 267.756 3.895 30 20 CHED C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H]2CCCC[C@H]12 499625363 KXLHLPIZDDGEKX-ZACQAIPSSA-N 290.451 3.597 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)ccc1F 729149792 OUSQEUZMNJWPLB-OQFOIZHKSA-N 285.274 3.938 30 20 CHED C=CCN(C(=O)Nc1cccc(F)c1SC)C1CC1 667413677 GTFNXFSZHSJRDG-UHFFFAOYSA-N 280.368 3.730 30 20 CHED C=CCC1(C(=O)Nc2ccc(N(C)C)cc2)CCCC1 823560429 YBUBBGKBASRCGK-UHFFFAOYSA-N 272.392 3.828 30 20 CHED C=CC[C@@H](C)N[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1 825660173 YSWFKBMWAWLHFP-PRHODGIISA-N 288.174 3.673 30 20 CHED Cc1ccc(-c2noc(CCCCCC#N)n2)c(F)c1 589143732 GUNMFNIGCRMGKX-UHFFFAOYSA-N 273.311 3.811 30 20 CHED CCCCCCCCC(=O)OCC1CCOCC1 732595250 TXQREZTZEQWSPJ-UHFFFAOYSA-N 256.386 3.707 30 20 CHED C=CC[C@@H]1CCCC[C@H]1N[C@H](C)CC(C)(C)CC(=O)O 902349476 FMKFHUXPQDAGNO-RBSFLKMASA-N 281.440 3.990 30 20 CHED C=C(C)CN(CC)CCCC1CCN(CC(=C)C)CC1 499251514 PNMYNFIWXPEIEV-UHFFFAOYSA-N 278.484 3.953 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C)cc1 494705917 CPQFFSFABLQYBB-GOEBONIOSA-N 272.392 3.806 30 20 CHED C=CCC(C)(C)c1noc(C[C@H](OCC)C(C)C)n1 582740485 RLICEHWRDFAONK-LBPRGKRZSA-N 266.385 3.527 30 20 CHED CS[C@@H](C(=O)N(C)c1cccc(C#N)c1)c1ccccc1 583963950 LBLHCNJWXQMIHK-MRXNPFEDSA-N 296.395 3.625 30 20 CHED Fc1ccc(C=NNc2cc(F)c(F)cc2F)cc1F 734303004 ZHSVMQURSANZJC-UHFFFAOYSA-N 286.203 3.828 30 20 CHED COc1ccc(C)cc1/C=C1/COc2ccc(F)cc2C1=O 731565349 LWLZAHMSOWHWFX-JYRVWZFOSA-N 298.313 3.801 30 20 CHED N#CC1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 903035746 UQRJFTDFMNNDJS-INIZCTEOSA-N 299.374 3.646 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(Oc2ccccc2)cn1 903105973 JUCWYZNNXLQTJQ-AWEZNQCLSA-N 293.370 3.828 30 20 CHED C=CCC[C@@H](N=c1ccc2c([nH]1)CCC2=O)c1ccccc1 581271237 AZMYKJIYJWSDKY-MRXNPFEDSA-N 292.382 3.752 30 20 CHED O=C(C#CC1CC1)N[C@@H](c1ccc(F)cc1)C1CCCC1 837347497 WNJCGXMRWROJOI-GOSISDBHSA-N 285.362 3.587 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1C#N 737593800 ZBNICOYXFAYRFD-ZKIBYTKZSA-N 296.414 3.999 30 20 CHED CCCCCCCC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 836877222 DILNSBWNCVTZJP-NVXWUHKLSA-N 263.425 3.994 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ncc(F)cc1F 835022890 VCMSYMDKMVYIBU-UWVGGRQHSA-N 253.296 3.584 30 20 CHED Cc1cc(NN=Cc2cccc(Cl)c2Cl)ncn1 731934725 GFWWEKUDOWMGMO-UHFFFAOYSA-N 281.146 3.538 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(C3CC3)c2)nn1C 901555181 PCYHMXQYMFXPEC-TWGQIWQCSA-N 266.344 3.502 30 20 CHED C=CCCCCCSCc1noc2c1COCC2 901785187 DBNLYGIMIQUJDL-UHFFFAOYSA-N 267.394 3.727 30 20 CHED N#Cc1ccc(COC(=O)CC2CC(F)(F)C2)c(Cl)c1 835335674 NQRDCNKRZSTUKS-UHFFFAOYSA-N 299.704 3.690 30 20 CHED CC(C)CN(CC(F)(F)F)C(=O)CCCCCC#N 588873492 ONUGKUQXYXRAOJ-UHFFFAOYSA-N 278.318 3.507 30 20 CHED CC1(C)CCC(c2noc(-c3cccc(C#N)n3)n2)CC1 589372679 ULOHCJBPQVACQP-UHFFFAOYSA-N 282.347 3.687 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C#N)cc1 583586484 VKBVLUPNYXAALW-AWEZNQCLSA-N 278.355 3.999 30 20 CHED CCCOCc1ccccc1C/N=C\c1cccc(O)c1O 915981294 PFKFFDDPYDRVSO-UNOMPAQXSA-N 299.370 3.644 30 20 CHED CCC(=NNc1ncccc1C(F)(F)F)C(C)C 915051154 MNWHBZRPQVZATM-UHFFFAOYSA-N 259.275 3.934 30 20 CHED Oc1ccc(C=NNc2ccc(Cl)cc2Cl)cc1O 916338796 UMZISLCGHKEWCS-UHFFFAOYSA-N 297.141 3.851 30 20 CHED C[C@@]12C[C@@H]1CCCC2=NNc1ccc(C(=O)O)c(F)c1 835009157 OVIQSPBLKXKWLX-BJOHPYRUSA-N 276.311 3.502 30 20 CHED C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](CC#N)C1 597178185 WFPFXTDGHVMCCT-BAAYTWLHSA-N 299.374 3.624 30 20 CHED C=CC[C@@H](NC(=O)/C=C(\C)C(C)(C)C)c1ccncc1 742677914 SMWRCOGCFKLPRM-RDRICISKSA-N 272.392 3.807 30 20 CHED C[C@@H](CC(=O)OCC1(CC#N)CC1)C1CCCCC1 744276566 AQJDHOHSFAVVCO-ZDUSSCGKSA-N 263.381 3.830 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2CCC3(CC2)CC3)cc1 597655979 HWLWITNCUSLKDX-KRWDZBQOSA-N 296.414 3.900 30 20 CHED C[C@@H]1Cc2ccccc2[C@@H]1NCCc1ccc(C#N)cc1 595055748 IOJBUJMXHNWSBU-AUUYWEPGSA-N 276.383 3.624 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1scc(C)c1C#N 596908939 NYMSIQVWTADLHQ-UHFFFAOYSA-N 277.393 3.795 30 20 CHED Cc1ccc2c(C=NNc3ccccc3C(=O)O)c[nH]c2c1 917542643 JPQYZBJCYKLZKT-UHFFFAOYSA-N 293.326 3.621 30 20 CHED CCN(C(=O)[C@H](C)c1ccc2ccccc2c1)[C@H](C)C#N 598359280 NGGKQMCPUZXZON-ZIAGYGMSSA-N 280.371 3.704 30 20 CHED CCC(CC)C(=O)N(CC#N)c1ccc(Cl)cc1 592651748 ZIALAUASEWJBCI-UHFFFAOYSA-N 264.756 3.633 30 20 CHED N#CCCCOC(=O)c1ccccc1SC(F)(F)F 914947749 MHVIHYHPLCZDTP-UHFFFAOYSA-N 289.278 3.759 30 20 CHED Cc1ccc(C=NOCc2ccc([N+](=O)[O-])cc2F)cc1 747827456 NUULRTROITTZRZ-UHFFFAOYSA-N 288.278 3.593 30 20 CHED CCCCCCCCC(=O)N[C@H](C)CN1CCCCC1 915198283 MTCTWEOGAKHXMI-MRXNPFEDSA-N 282.472 3.728 30 20 CHED C[C@H](CC(=O)OCC1(CC#N)CC1)C1CCCCC1 744276565 AQJDHOHSFAVVCO-CYBMUJFWSA-N 263.381 3.830 30 20 CHED CC(C)(C)c1csc(NC(=O)c2nccs2)c1C#N 590996732 KBGFASXPDSEXOB-UHFFFAOYSA-N 291.401 3.626 30 20 CHED C=CCN(C(=O)/C=C/c1ccc2ccccc2n1)C(C)C 915147888 PCXXRPIWTBLXOW-VAWYXSNFSA-N 280.371 3.671 30 20 CHED C#CCCCC(=O)N1CCC2(CCc3ccccc3C2)CC1 846291308 IYUSTSPAWRPYMY-UHFFFAOYSA-N 295.426 3.588 30 20 CHED CC(=NOCc1cccnc1)c1cccc(C)c1C 746585903 OUKPYWSAMRABEL-UHFFFAOYSA-N 254.333 3.639 30 20 CHED C=CCNc1nnc(COc2ccc(C(C)(C)C)cc2)o1 849159039 LFXPPBNSSXQGKY-UHFFFAOYSA-N 287.363 3.544 30 20 CHED C=CCCSCCNC(=O)C[C@@H](C)c1ccc(F)cc1 597971182 IGFBPPRCKGNWCL-CYBMUJFWSA-N 295.423 3.745 30 20 CHED CCC[C@@H](C)C(=O)N(CC#N)c1ccc(Cl)cc1 592650205 IRZAVNWZTCPWBC-LLVKDONJSA-N 264.756 3.633 30 20 CHED CC(=NNc1nncc2ccccc12)c1nc(C)sc1C 915909605 LKRSFRAAMMNJCK-UHFFFAOYSA-N 297.387 3.539 30 20 CHED c1ccc2c(c1)OCCC2=NNc1nccc2sccc12 915978251 CDJOOEGIFPUWTC-UHFFFAOYSA-N 295.367 3.895 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(c3ccccc3F)CCC2)C1 593643098 VSFIFYGGKPPVLD-ZIAGYGMSSA-N 272.367 3.529 30 20 CHED CSc1ccc(CN2CCC[C@H](CC#N)C2)s1 597177990 TUEBKLBPDMTZLP-LLVKDONJSA-N 266.435 3.596 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 597077132 ZEKLNGOWUCVRGG-KZNAEPCWSA-N 298.430 3.700 30 20 CHED CCc1ccc(C(C)=NNc2cccc([N+](=O)[O-])c2)cc1 916268897 DGPBZUOJSTVIAX-UHFFFAOYSA-N 283.331 3.993 30 20 CHED C=C[C@@H](C)ON=C(C)c1nc2ccc(Cl)cc2n1C 844622086 ULBYVUOEJDMIPZ-SECBINFHSA-N 277.755 3.542 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2cccc3c2CCCC3)C1 596632876 QLQZEBXDJZLUAU-CQSZACIVSA-N 297.402 3.723 30 20 CHED CC[C@@H](CC#N)OC(=O)C1(c2ccccc2Cl)CCC1 845528722 LILNXEWKYZBWQO-LBPRGKRZSA-N 291.778 3.997 30 20 CHED CC(=O)N1CCCc2cc(-c3cccc(C)c3C#N)ccc21 844231843 XMBFUGJATBTTBC-UHFFFAOYSA-N 290.366 3.833 30 20 CHED CCC1(CC)CCCN(C(=O)NCc2ccc(C#N)cc2)C1 595445224 VBUWPCFSHNXPLE-UHFFFAOYSA-N 299.418 3.670 30 20 CHED C#CCCCNC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 743692280 WBXWPZQDPNPZNE-HNNXBMFYSA-N 290.407 3.874 30 20 CHED C[C@H](CCc1ccc(F)cc1)NCCc1ccc(C#N)cc1 595055382 CCNLKNRQVJRAIN-OAHLLOKOSA-N 296.389 3.851 30 20 CHED CC[C@@H](OCCN(CCC#N)CC1CC1)c1ccccc1 593016853 XESAUVGZIVNVTR-GOSISDBHSA-N 286.419 3.780 30 20 CHED CC#CCOC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 744988022 WOWBQJUDICPLOD-IAGOWNOFSA-N 264.324 3.510 30 20 CHED CC[C@@]1(C)CCCC1=NNc1ccc(CC(=O)O)cc1 848413253 BCBHWURFEKKVIM-INIZCTEOSA-N 274.364 3.682 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(N(C)C)cc1 920383345 DYFPEVKHNLXOFI-UHFFFAOYSA-N 271.339 3.728 30 20 CHED Cc1c(C(=O)O[C@@H](C)C(C)(C)C#N)cnc2ccccc12 753620437 HOOCVVOSAZHJML-LBPRGKRZSA-N 282.343 3.638 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H](C)c2ccccc2C)no1 685335760 NGFHTQGBBXBMQR-NUEKZKHPSA-N 298.386 3.978 30 20 CHED C#CC[C@H](CCOC)NCc1ccc(Cl)c(Cl)c1 858331471 CSPZZDQOTLPVBH-GFCCVEGCSA-N 286.202 3.511 30 20 CHED C#C[C@@](C)(CC)NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 854701990 IMMUSIVCWHMTEU-ACJLOTCBSA-N 282.387 3.580 30 20 CHED CCS[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)C(C)C 851210222 OYHYUGRRCMTOEE-NEPJUHHUSA-N 271.426 3.636 30 20 CHED Fc1cccc(C=NNc2cc(F)cc(F)c2)c1 920376792 SUUMFDZYNVVVDG-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C=CCc1cc(OC)cc(CN(CCC)C2CC2)c1O 754726168 FLFWMRVAVDLJMG-UHFFFAOYSA-N 275.392 3.504 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1cccc([N+](=O)[O-])c1 750895785 JEQIJZIDJXFJQI-VURMDHGXSA-N 285.274 3.938 30 20 CHED Cc1ccc(CN(C)C)cc1N[C@@H](C)CC(C)(C)C#N 926098925 JAOTXWRHVAFYKK-AWEZNQCLSA-N 273.424 3.797 30 20 CHED Clc1cccc2c1CCCC2=NO[C@H]1CCCCO1 758129205 NCEUIIRTUMLJOG-HNNXBMFYSA-N 279.767 3.924 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](C)c1ccco1 858848964 QQMDGBNYSPTOQG-CQSZACIVSA-N 299.345 3.574 30 20 CHED CC[C@@H](NCc1cc(Cl)ccc1OCC#N)C1CC1 852555659 XNQDYXLEBDEJLQ-CQSZACIVSA-N 278.783 3.521 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)Nc2sccc2C#N)C1 931842854 ODKDRCAWVBNAIA-QWRGUYRKSA-N 277.393 3.662 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1cc2ccccc2s1 754801677 WDBNIXFBTDBDBL-LBPRGKRZSA-N 290.384 3.926 30 20 CHED C=C[C@@H](CC)CC(=O)NC1(c2ccccc2F)CC1 933171311 VSJDKCBHSYXBOM-LBPRGKRZSA-N 261.340 3.533 30 20 CHED C#CC(=O)Nc1ccc(C)c(OCC2CCCCC2)c1 754059985 YYXPFSJCXPLDSN-UHFFFAOYSA-N 271.360 3.526 30 20 CHED C=CCN(C(=O)NCC1(CC(C)C)CCC1)C(C)C 757263015 XVPXMWZULRAKSR-UHFFFAOYSA-N 266.429 3.809 30 20 CHED Fc1ccc(/C=C\C=NNc2cncc(Cl)n2)c(F)c1 758103724 KSSWNJXJBVTGQJ-CWSYNHRASA-N 294.692 3.519 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 935301172 BVBQQPRXMYUXKJ-QJPTWQEYSA-N 277.330 3.778 30 20 CHED N#CC1(COC(=O)c2ccc3sccc3c2)CCC1 768111128 ZMVXCNPCVGPFQZ-UHFFFAOYSA-N 271.341 3.752 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnn(-c2ccccc2)c1C 934993623 HEIKGDKAAKJMKR-AWEZNQCLSA-N 283.375 3.722 30 20 CHED Cc1cc(/C=C2\Oc3ccccc3C2=O)cnc1Cl 760266554 WANCQWMRCJIXJW-QPEQYQDCSA-N 271.703 3.660 30 20 CHED N#C[C@@H](CCc1ccccc1)SC(=S)N1CCCC1 865347079 RNEPRBNZSFQHPN-CQSZACIVSA-N 290.457 3.625 30 20 CHED Clc1ccc2c(c1)C(=NN=c1cc[nH]cc1Cl)CC2 762450310 SUQDKYVQXPWCGM-UHFFFAOYSA-N 292.169 3.573 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)[C@H]1CCc2c(Cl)cccc21 765631125 LEODKHFAFGBPEX-GXTWGEPZSA-N 291.778 3.851 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(Cl)cc1C 769092825 QFHGZEIBQCQYQR-GFCCVEGCSA-N 282.767 3.673 30 20 CHED CC/C=C(\C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 769510258 OPJSIJTVUNAUCL-NTUHNPAUSA-N 276.424 3.958 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2c(C)cccc2C)nc1 766558800 FYJKKMAOWFYUMI-AWEZNQCLSA-N 279.339 3.598 30 20 CHED COCCC(=NNc1cccc(Cl)c1)C1CCOCC1 764885697 MYZVQFBJCCOUTR-UHFFFAOYSA-N 296.798 3.571 30 20 CHED CCC[C@@H](OCC)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 860581924 PNBWWECNAZPQPB-WCQYABFASA-N 294.420 3.648 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cscn2)cc1C 769258857 DPJGJWBPETXSAF-SNAWJCMRSA-N 257.358 3.964 30 20 CHED CC(=NNc1ncc(F)cn1)c1ccc(CC(C)C)cc1 760266077 PSKNBHSNFXZDKD-UHFFFAOYSA-N 286.354 3.650 30 20 CHED Cc1cc(NN=Cc2ccc(-c3ccccc3)s2)ncn1 1116025942 WJBPRHKXSWITGP-UHFFFAOYSA-N 294.383 3.960 30 20 CHED C[C@@H]1CC(=NNc2ccc(F)c([N+](=O)[O-])c2)C[C@H](C)C1 769828399 GVIDODYMLIPQAM-AOOOYVTPSA-N 279.315 3.958 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](CC)c1ccc(F)cc1)OCC 1116552435 KKVFYNKPJVWPCW-HOTGVXAUSA-N 293.382 3.764 30 20 CHED Cc1ccsc1C=NNc1ccc(F)c([N+](=O)[O-])c1 769821864 DYVOGFBURQNEJP-UHFFFAOYSA-N 279.296 3.550 30 20 CHED CCn1cc(C(C)=NNc2nc3c(C)cccc3s2)cn1 872419428 IBNNMJHFTJWWGL-UHFFFAOYSA-N 299.403 3.657 30 20 CHED COc1cc(O)ccc1/C=C/C(=O)c1cc(C)c(C)o1 1116914653 ZEJXRJGCOJJPLH-FNORWQNLSA-N 272.300 3.507 30 20 CHED Cc1ccc(C(=O)OCc2ccccc2C(C)(C)C#N)cn1 767995694 BIRRTGSVILMKAJ-UHFFFAOYSA-N 294.354 3.548 30 20 CHED COCCOc1ccc(NC[C@H](C)CCC#N)cc1Cl 876825549 YKJKIUGBRQVPFN-GFCCVEGCSA-N 296.798 3.717 30 20 CHED CC#CCCOC(=O)c1coc(-c2ccccc2Cl)n1 760295627 NNUCMLBQBDUJGF-UHFFFAOYSA-N 289.718 3.565 30 20 CHED O=c1ccccn1N=Cc1ccc(-c2ccccc2F)s1 776793061 WUUPPYSBFYPAKD-UHFFFAOYSA-N 298.342 3.598 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1cccnc1)Cc1ccco1 879295459 CAINNWVLQXAXHV-UHFFFAOYSA-N 298.386 3.806 30 20 CHED C=CCC1(N[C@H](C)Cc2cccc(C)c2)CCOCC1 877628125 CPLBQSGJDNYQMS-MRXNPFEDSA-N 273.420 3.641 30 20 CHED CC(=NNC[C@H](C)C#N)c1cc(Cl)sc1Cl 771095486 AUONNFWDBQTCBG-ZCFIWIBFSA-N 276.192 3.528 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1ccc(C)cc1O 776190187 PJOQSZDOCRKLBQ-MDZDMXLPSA-N 298.338 3.614 30 20 CHED CC(C)(C)SCCCOC(=O)C1(C#N)CCCCC1 775297698 ZAWXWXGEXYCBAT-UHFFFAOYSA-N 283.437 3.925 30 20 CHED C#CCSCCN[C@@H](CC)c1ccc(OC(F)F)cc1 773011871 XYOHVEFMYGHKAZ-AWEZNQCLSA-N 299.386 3.695 30 20 CHED C=CCCCC(=O)OCc1ccn(C(CC)CC)n1 771370090 UDIOWCIVOMKJSA-UHFFFAOYSA-N 264.369 3.644 30 20 CHED C=C1CCC(C(=O)N2CCc3c(C)cccc3C2)CC1 888819015 ZVXYAKVXIMTEED-UHFFFAOYSA-N 269.388 3.626 30 20 CHED COc1ccc(Cl)cc1/C=C/C(=O)c1ccncc1 776188177 JZGDZGDMGJODPH-DUXPYHPUSA-N 273.719 3.640 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccc2c(c1)CCO2 1121152678 NPCYFPXSTLZXFV-LBPRGKRZSA-N 287.359 3.556 30 20 CHED O=C1Nc2c(Cl)cc(Cl)cc2C1=NOC1CCCC1 774603393 RFMVYEKEXUKXTP-UHFFFAOYSA-N 299.157 3.609 30 20 CHED CC(C)(C#N)CCCOC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 782051551 BTBXOLPPIGHBDX-MELADBBJSA-N 263.381 3.686 30 20 CHED C=CCCCCCOC(=O)/C=C\c1cncc(F)c1 785854637 YHCMNLDTYSEMEB-FPLPWBNLSA-N 263.312 3.524 30 20 CHED N#Cc1cc(C(=O)OCc2c(Cl)cccc2Cl)c[nH]1 786900406 KRWYFJWGFYKCOC-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C=C1CCC(C(=O)Nc2c(F)cc(F)cc2F)CC1 889264858 JFUROTJYRYNBQO-UHFFFAOYSA-N 269.266 3.789 30 20 CHED C[C@H]1CCCC(=NNc2cc(Cl)ccn2)[C@@H]1C 781124548 IWUZMXBVIBHUDR-VHSXEESVSA-N 251.761 3.959 30 20 CHED N#CC1(COC(=O)/C=C\c2ccccc2F)CCCCC1 780485548 DJVUENRCYBFEQQ-HJWRWDBZSA-N 287.334 3.856 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@H]1C(C)(C)C)c1ccncc1 1123505059 NKGGZJZCGYHWKD-GJZGRUSLSA-N 287.407 3.529 30 20 CHED CC/C(=C\C(=O)N1CCC(CC#N)CC1)c1ccc(C)cc1 782058299 RRWFIBUAXAXYQT-SAPNQHFASA-N 296.414 3.941 30 20 CHED CCc1ccc(C=NOCc2ccc(CC#N)cc2)cc1 784046785 VZGWBGYCIHYKCY-UHFFFAOYSA-N 278.355 3.866 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCc2ccc(Cl)nc21 788812615 COEXAVDUMBEYSM-VXGBXAGGSA-N 250.773 3.667 30 20 CHED CC(C)(CC#N)COC(=O)c1cc2cccc(F)c2o1 783136529 KNXGWQLAZJLPCR-UHFFFAOYSA-N 275.279 3.669 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(Cl)s1 501001039 RYJARWJIBPLEEN-UHFFFAOYSA-N 278.764 3.894 30 20 CHED C=CCCN(C)Cn1nc(-c2ccccc2C)oc1=S 786102429 XVPDISZXXLNGLW-UHFFFAOYSA-N 289.404 3.646 30 20 CHED CCc1onc(C)c1/C=C1/Cc2c(C)cccc2C1=O 899352799 DKAHLIJLXLOCCM-XFXZXTDPSA-N 267.328 3.676 30 20 CHED O=C(NO)c1cc(Cl)ccc1Oc1cccc(Cl)c1 782171338 BGPCJCKTJCGJTR-UHFFFAOYSA-N 298.125 3.905 30 20 CHED N#CCCCCNc1ccc(-c2ccccc2Cl)nn1 892326459 AZAUINMQOYDGCN-UHFFFAOYSA-N 286.766 3.903 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccc(Cl)cc2)no1 899993987 SWJBSCRLSCCNCD-LBPRGKRZSA-N 277.755 3.746 30 20 CHED C=C1CC(c2noc([C@H]3CCc4ccccc4O3)n2)C1 896873475 ARGLTEDGHBERMF-CQSZACIVSA-N 268.316 3.570 30 20 CHED FCC[C@@H]1CCCC1=NNc1ncnc2sccc12 794888116 NXPQEPSHXDTCOQ-VIFPVBQESA-N 278.356 3.619 30 20 CHED Clc1csc(C=NNc2cccc(Cl)n2)c1 793163064 XABSQOYWGFVFJM-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CC(C)n1nccc1C=NOc1ccccc1C(F)(F)F 794523213 FBEPAKGGWIVICU-UHFFFAOYSA-N 297.280 3.896 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccccc1C 793163029 VNSJYJSAKSQZQN-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CC(C)[C@@H]1CN([C@H](C)CCC#N)CCN1Cc1ccccc1 704734978 MXNKKRAHUBVIOT-MJGOQNOKSA-N 299.462 3.521 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@@H](C)C1)C1CCCCC1 744845419 ZNIDUFPHGZQUSA-HUUCEWRRSA-N 276.424 3.543 30 20 CHED CC(C)(C)[C@H]1CCCN(c2ncccc2C#N)CC1 71202955 GGINCTUTFGEBSD-AWEZNQCLSA-N 257.381 3.606 30 20 CHED C=CCC1(C(=O)NCc2ccnc3ccccc23)CCC1 790723065 BUJHXKZJNIGBTL-UHFFFAOYSA-N 280.371 3.597 30 20 CHED CC(C)CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797569828 XUMLHBWGJPWXKH-JTQLQIEISA-N 264.394 3.663 30 20 CHED C/C(=C/Cl)CS[C@H](C)C(=O)Nc1ccccc1C#N 797815445 SLFYFRSNLGFDOX-ZJRUKIMVSA-N 294.807 3.761 30 20 CHED C=CCN(CCC#N)Cc1cc(C(C)C)c(C)cc1O 793560869 QYIUISWJHOCXNP-UHFFFAOYSA-N 272.392 3.726 30 20 CHED CCCCCCCCNC(=O)Nc1ccn(C(C)C)n1 797681415 HSILZQUQEZJFNZ-UHFFFAOYSA-N 280.416 3.946 30 20 CHED C#CCN(Cc1ncc(C(C)C)o1)C1CCCCC1 733307496 ADXVXUSCGLNCMB-UHFFFAOYSA-N 260.381 3.566 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCCCCCC 798039385 UAMFKKHJDDCJES-RDJZCZTQSA-N 281.440 3.834 30 20 CHED CC(C)(C#N)CCOC(=O)C[C@@H](CC#N)c1ccccc1 795993111 SZVBLWZRJQVBIH-OAHLLOKOSA-N 284.359 3.557 30 20 CHED N#Cc1ccc(NC(=O)CSCC2CCCCC2)cc1 195737119 GLESWLIZJQRVIE-UHFFFAOYSA-N 288.416 3.810 30 20 CHED CC(C)(C)c1cnc(/C=C/C(=O)c2ccncc2)s1 790599089 SDAJKGPJZSWKBB-SNAWJCMRSA-N 272.373 3.732 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc(C)cc1C 795008844 PDAZKKFXYCNWPU-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc2n[nH]cc2c1 794855649 XYPBXPGWRUOWRN-UHFFFAOYSA-N 264.332 3.707 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(F)c(N2CCOC2=O)c1 793317197 PDXSGQLMUOCDQO-GFCCVEGCSA-N 292.354 3.939 30 20 CHED C=CCCCCn1nc(C)c(Br)c1C 571630863 YUFKQARGRSEFNV-UHFFFAOYSA-N 257.175 3.619 30 20 CHED C=CCN(Cc1nc(-c2ccsc2)no1)C(C)(C)C 661754857 DQSSUQCLOZMJJI-UHFFFAOYSA-N 277.393 3.585 30 20 CHED COCc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1 88567359 VAXBHDGDZHVOAZ-UHFFFAOYSA-N 286.762 3.970 30 20 CHED N#Cc1ccc(CCNc2nc3cccc(F)c3s2)cc1 1163716084 ZUUDAYWLSWTNNF-UHFFFAOYSA-N 297.358 3.962 30 20 CHED C=CC[C@@H](c1ccccc1)c1nnc(C2CCOCC2)o1 1325831544 CQJPEZIQYDHQOZ-HNNXBMFYSA-N 284.359 3.672 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc(-c2cccs2)s1 1329040070 YUMOFFJUZSWFFG-SNVBAGLBSA-N 290.413 3.851 30 20 CHED Cc1c(N[C@@H]2CC[C@H](C#N)C2)cccc1-c1ncco1 1324377459 VEJBBZHGYKIDCI-QWHCGFSZSA-N 267.332 3.754 30 20 CHED CCCC[C@@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1348919864 IGGQECSQWUFWLN-LLVKDONJSA-N 255.321 3.902 30 20 CHED C#CCCCC(=O)Nc1nc2ccccc2n1C(C)(C)C 1320757533 IEDUFSITBYVUPW-UHFFFAOYSA-N 283.375 3.533 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 1324561396 OKRRRENAUWGZAH-WBVHZDCISA-N 295.426 3.848 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1cccc(F)c1F 1336215057 APHSOKVOJPVENF-CQSZACIVSA-N 293.357 3.855 30 20 CHED C=C(C)C(C)(C)c1nnc(-c2cc(OC)cc(OC)c2)o1 1330078757 MBRLSWKJYUUCMH-UHFFFAOYSA-N 288.347 3.608 30 20 CHED N#Cc1cccc(N(C(=O)[C@H]2CC23CCC3)C2CCC2)c1 1338057517 IAGUHELIBGCRIC-MRXNPFEDSA-N 280.371 3.634 30 20 CHED C=C(CC)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 1349653184 WKNNKYZHQWUPCQ-UHFFFAOYSA-N 279.330 3.637 30 20 CHED C=C(C)CCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 1262609033 BEYNXGSTWKIBCI-UKRRQHHQSA-N 275.367 3.886 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)cc1 1341523999 MWVFPGTVVUVESB-NJAFHUGGSA-N 298.430 3.990 30 20 CHED C=C(C)CCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 1342591337 LESUOSAYFDIUCT-NSHDSACASA-N 288.347 3.968 30 20 CHED COc1cc2ccccc2cc1C(=O)O[C@@H]1CC[C@H](C#N)C1 1344016367 FENXMEJQWVNWFQ-SWLSCSKDSA-N 295.338 3.697 30 20 CHED C=CC[C@H](CC)NC(=O)CCCCc1cccc(O)c1 1347544363 NTLTXRPFRXTPFO-HNNXBMFYSA-N 275.392 3.576 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccc(OC(F)F)cc1 1346289772 ZPWJULUYKKNINZ-UHFFFAOYSA-N 283.318 3.603 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(F)c(C#N)c1 1435013529 FLUDBCPRFLUXNQ-GFCCVEGCSA-N 282.318 3.748 30 20 CHED COc1ccc(OC)c(C=NOCc2csc(C)c2)c1 1353022073 HFFOCCHPIDCDIX-UHFFFAOYSA-N 291.372 3.624 30 20 CHED C[C@@H](NC(=O)CC1(C#N)CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 1352334804 VPMDSKQJTIOZAM-UGUYLWEFSA-N 288.435 3.791 30 20 CHED Cc1c(F)ccc(Cl)c1NC(=O)c1csc(C#N)c1 1519736016 PFJIRNCAJJIHCG-UHFFFAOYSA-N 294.738 3.973 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(F)c3occc23)cc1F 1460675175 QQJGBWLRJFSJDD-UHFFFAOYSA-N 298.248 3.835 30 20 CHED C=CCN(C(=O)c1cc(Cl)c2ccccc2n1)C(C)C 112833482 WLFPZYPORWWWEB-UHFFFAOYSA-N 288.778 3.925 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC1(C)C 1536677599 XZRUBKVPTITPIO-JSGCOSHPSA-N 290.794 3.766 30 20 CHED C=CCCc1ccccc1NCc1ccc(C(=O)O)o1 1602884930 XZUDAIQKIFHRBH-UHFFFAOYSA-N 271.316 3.709 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H]1CCCC(C)(C)C1 1535276851 IWPCNQIWFIASOF-NSHDSACASA-N 261.321 3.585 30 20 CHED CCN(CCNc1cc(C)c(C#N)cn1)c1ccccc1C 1472660719 SGWJUKFMKCSADH-UHFFFAOYSA-N 294.402 3.509 30 20 CHED CCC1(NC(=O)Nc2cc(C#N)ccc2F)CCCC1 1625455266 OOSCHLAMHCESGO-UHFFFAOYSA-N 275.327 3.542 30 20 CHED CCSc1ccc(CNc2nnc(C)c(C)c2C#N)cc1 1559266974 DSROFMLXBCKGCZ-UHFFFAOYSA-N 298.415 3.689 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)NCC[C@@H](C)CC 1562256054 ZHYJKYCYCYOERL-LBPRGKRZSA-N 289.379 3.515 30 20 CHED CCCCCCCCC(=O)N1CCC(CNCC)CC1 129937560 QYGCAKYIBOCSPL-UHFFFAOYSA-N 282.472 3.585 30 20 CHED N#Cc1ccc(CCNc2nc(C(F)(F)F)cs2)cc1 1642928566 HONLTZGRJFAOGG-UHFFFAOYSA-N 297.305 3.688 30 20 CHED C=C[C@H](N[C@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)O 1588693492 ZTJFBZSVPSZNPE-DYVFJYSZSA-N 297.354 3.769 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)c(C2CC2)n1 1584264275 NBAQTTNXAWHDMD-UHFFFAOYSA-N 295.317 3.531 30 20 CHED CC(C)[C@@H]1C[C@H](N=c2cc[nH]cc2C#N)c2ccccc21 1651320455 CNHURSXUTGSBQL-WMZOPIPTSA-N 277.371 3.672 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cc2[nH]c(C(=O)O)cc2o1 1777465351 XDCBAYRLVQVAHI-SREVYHEPSA-N 295.294 3.664 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@]2(CCOC2)C1 162791735 TYBMLVIHMDIJRH-KRWDZBQOSA-N 296.455 3.559 30 20 CHED C=CCN(C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 157562213 VKTUEUXQDWVLGH-UHFFFAOYSA-N 286.297 3.831 30 20 CHED C=CC1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 153967350 RNIPVZCGWYGCRP-UHFFFAOYSA-N 299.292 3.623 30 20 CHED C=C[C@H](C)NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 156206804 AZJQUDQFGDCVEZ-ZDUSSCGKSA-N 271.404 3.706 30 20 CHED C=CCN(C)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 157342434 FGOLRSBDBMOMGB-UHFFFAOYSA-N 294.354 3.567 30 20 CHED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1c(C)noc1C 155888631 MKANGALMFPLXIX-MEDUHNTESA-N 283.375 3.965 30 20 CHED CCOc1cccc(NC(=O)Nc2ccc(F)c(C#N)c2)c1 155896302 CYNVTRHCSRINLG-UHFFFAOYSA-N 299.305 3.740 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(F)cc1C(F)(F)F 156528387 RNVMIXQDRQPNNF-UHFFFAOYSA-N 289.272 3.883 30 20 CHED N#Cc1cccc(CN[C@@H]2CCc3c(F)cc(F)cc32)c1 154576447 CYSRDNJSIXAOOO-QGZVFWFLSA-N 284.309 3.614 30 20 CHED C=CCCCCCN(C)C(=O)c1cccnc1Cl 156818484 QUAIRBOZQZQZMJ-UHFFFAOYSA-N 266.772 3.553 30 20 CHED C[C@H](CC#N)N(C)Cc1ncc(-c2ccccc2)s1 156915663 GERVUCUJOFWUOH-GFCCVEGCSA-N 271.389 3.544 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1csc2ccccc12 42296840 RJVIKNQIWGBKTE-NSHDSACASA-N 272.373 3.523 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1csc(C(C)C)n1 171443572 PNXANSPDOBPFMZ-UHFFFAOYSA-N 285.372 3.699 30 20 CHED Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1Cl 63021709 IIAWOPDQCKOXEP-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)nn2)CC1 302531430 LKWOLXGPFIBKMC-CHWSQXEVSA-N 272.396 3.755 30 20 CHED CC[C@H]1CCCN(c2nc3ccccc3cc2C#N)C1 71389816 PMFXIAKCTVMJOA-ZDUSSCGKSA-N 265.360 3.733 30 20 CHED CCc1nc(C#N)cc(Oc2cccc(C(C)C)c2)n1 308279118 CRPWBSJNZXWACW-UHFFFAOYSA-N 267.332 3.826 30 20 CHED CC[C@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 404152580 MWCZCMFPLHRWCF-SWLSCSKDSA-N 260.356 3.756 30 20 CHED N#Cc1cc(Cl)ccc1SC[C@@H]1CCCOC1 601913643 QRDKXYOEUVQGJX-SNVBAGLBSA-N 267.781 3.730 30 20 CHED CC[C@@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 610131724 JYBMXIHUCWBDNH-PWSUYJOCSA-N 263.772 3.987 30 20 CHED C[C@H](C#N)CN(C(=O)c1cc2cscc2s1)C1CC1 528890643 HMWKIDPFQQBHNL-SECBINFHSA-N 290.413 3.727 30 20 CHED C=C(C)CCNC(=O)N(CCC)Cc1ccccc1 455308670 JYENVRMNAWOUAI-UHFFFAOYSA-N 260.381 3.574 30 20 CHED C[C@@H]1CCCCN(c2ccc(C#N)c(Br)c2)C1 703187512 KMQCCLVTWBMBFT-LLVKDONJSA-N 293.208 3.947 30 20 CHED N#Cc1ccc(NCC2(C(F)F)CC2)cc1Cl 359850366 UNAMXANIEDONNS-UHFFFAOYSA-N 256.683 3.669 30 20 CHED CC(C)c1nc(C(=O)Nc2ccc(C#N)c(F)c2)cs1 362298256 TXOWQGVEYQRXRN-UHFFFAOYSA-N 289.335 3.530 30 20 CHED C=C[C@H](COC)N[C@@H](CC)c1ccc(Cl)s1 381641789 ANTNQFMSCZYYIF-ZJUUUORDSA-N 259.802 3.643 30 20 CHED C[C@H]1CC(F)(F)CCN1CCCCC(C)(C)C#N 599627761 NVSKGSLUAFQQKP-LBPRGKRZSA-N 258.356 3.826 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 394227993 PUBXHYBZVBBPNF-CJNGLKHVSA-N 276.424 3.744 30 20 CHED C[C@H]1CCCC[C@H]1CNc1cccc(OCC#N)c1 394785857 JHNZKUDZXZAPSY-KBPBESRZSA-N 258.365 3.827 30 20 CHED C=CCCOC(=O)C1(c2ccc(Br)cc2)CC1 729072589 PLYMWYNQLDKUNI-UHFFFAOYSA-N 295.176 3.600 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)C1(C#N)CCCCC1 130717597 UEIUAHFMJJSFBU-ZDUSSCGKSA-N 264.413 3.791 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 116931641 WYKKGYSTVQPKGS-SECBINFHSA-N 272.270 3.792 30 20 CHED O=C1/C(=C/c2cccs2)CCOc2ccccc21 102971179 HWAQKCSKAQPLNJ-ZHACJKMWSA-N 256.326 3.797 30 20 CHED CC1CCC(CNC(=O)N(C)Cc2ccc(C#N)cc2)CC1 56818931 FHLLMCLVAZQDKJ-UHFFFAOYSA-N 299.418 3.526 30 20 CHED CC(=O)Nc1ccc(C)cc1OCc1ccc(F)cc1C#N 103720082 NGYJHVNOPQEGEE-UHFFFAOYSA-N 298.317 3.543 30 20 CHED C=CCN(C)C(=O)N[C@H](CC1CCC1)c1ccccc1 119573186 CUIVPUOAWWYOLG-MRXNPFEDSA-N 272.392 3.745 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2ccc(C#N)c(F)c2)C1 464637103 HKSRFEPQWWBWNM-NSHDSACASA-N 274.339 3.852 30 20 CHED C[C@H](CC1CCCCC1)C(=O)[C@H](C#N)c1ccccn1 114617804 CYQYSUCADSVWEJ-UKRRQHHQSA-N 270.376 3.864 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)[C@@H](C#N)c1ccccn1 61068299 METATDIGPJRSRJ-NSHDSACASA-N 299.399 3.634 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCC3CCOCC3)c2c1 174711559 IWRGWJWDIYWNOV-UHFFFAOYSA-N 295.386 3.562 30 20 CHED CC(C)(CNC(=O)C1(C#N)CCCCC1)Cc1ccccc1 117192404 XDFYCLNNLYJNKV-UHFFFAOYSA-N 298.430 3.846 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C#N)c(F)c2)ccc1F 1341839543 VEZJOJJIXOBBIH-XVNBXDOJSA-N 299.276 3.741 30 20 CHED CCCN(CC#N)C(=O)c1ccc(-c2ccccc2)cc1 60542137 JRHBDHWEDSDKKR-UHFFFAOYSA-N 278.355 3.729 30 20 CHED C=CCCO[C@@H](C)C(=O)NC(C)(C)c1ccc(Cl)cc1 66527362 IXIFWNQFFXJMIE-LBPRGKRZSA-N 295.810 3.673 30 20 CHED Cc1ncccc1/C=C1\CCOc2ccc(F)cc2C1=O 171419169 KOWGGJNZSWQKRF-UKTHLTGXSA-N 283.302 3.578 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(O[C@H](C)CC)cc1 176615996 CJTJILSMASCYQH-QWHCGFSZSA-N 261.365 3.558 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccncc2Cl)cc1 174261927 QPSAQHLYIWBFBS-UHFFFAOYSA-N 299.761 3.604 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(C)nc1C 179678546 YLPCVWWUIQDXMC-NSHDSACASA-N 261.369 3.565 30 20 CHED Cc1ccc(N/C(N)=N/CC(C)(C)c2cccs2)cc1 304737544 AMYRNTRBDRWHPG-UHFFFAOYSA-N 287.432 3.761 30 20 CHED C[C@@H](OC(=O)CCCc1ccccn1)c1ccc(C#N)cc1 175772860 AZWZILYPCIISMU-CQSZACIVSA-N 294.354 3.580 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 65959509 AIQHHHSQGBFVRW-UHFFFAOYSA-N 296.370 3.826 30 20 CHED C=CCCCCNc1nn2cc(-c3cccnc3)nc2s1 302272189 SESUAQWRJBSQOV-UHFFFAOYSA-N 299.403 3.621 30 20 CHED C[C@@H](Nc1c(C#N)cccc1C#N)c1ccc(F)c(F)c1 302854131 RAWZHRCYUXQGCP-SNVBAGLBSA-N 283.281 3.881 30 20 CHED CCN(CC(C)(C)COC)[C@H](C)c1ccc(C#N)cc1 426040797 XSKYDYCIRIMVSY-CQSZACIVSA-N 274.408 3.614 30 20 CHED C=C(C)CNC(=O)c1sccc1-c1ccccc1 122918404 GQFDPIAAPLZKDE-UHFFFAOYSA-N 257.358 3.721 30 20 CHED CC#CCCCC(=O)Nc1ccc(N2CCCC2)c(C)c1 185078792 YYCKPTNOOFXLDN-UHFFFAOYSA-N 284.403 3.727 30 20 CHED N#Cc1cc(F)ccc1NCC1([C@@H](O)c2ccccc2)CC1 129939388 HKSCZRGUNHUQBY-KRWDZBQOSA-N 296.345 3.623 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](C)Cc1ccc(Cl)cc1 120227908 ZVZDIJAXEWSYHZ-QWHCGFSZSA-N 292.810 3.527 30 20 CHED CC(C)C(=O)Nc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 185724751 PZIGMCGELXDBIT-UONOGXRCSA-N 285.391 3.775 30 20 CHED C[C@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1cccc(C#N)c1 74918618 XJKIPRIXMNWZKC-QRTARXTBSA-N 297.402 3.593 30 20 CHED N#Cc1ccc(NCc2cccs2)c(Br)c1 37072111 BPXJBBUHUQQZSP-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C=C(C)CCc1noc(-c2cc([C@@H](C)CC)no2)n1 508601494 WPHJQJXJWFTUHH-JTQLQIEISA-N 261.325 3.747 30 20 CHED Cn1cc(CCC(=O)OCC(C)(C)CC#N)c2ccccc21 184781054 JBFWUONQBQWJCM-UHFFFAOYSA-N 298.386 3.594 30 20 CHED Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)co1 188499127 ZWWWLBMAELTPHD-UHFFFAOYSA-N 284.315 3.523 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)CCSC 181112570 HLXPYNKEWKXWHC-OLZOCXBDSA-N 272.458 3.514 30 20 CHED Cn1cc(/C=C/C(=O)c2cc3ccccc3s2)cn1 187232955 BVAOMOVIWDALPQ-VOTSOKGWSA-N 268.341 3.531 30 20 CHED COc1ccc(C)cc1NCc1ccc(C#N)c(C)c1 443992688 ZULBKEDBMZOTAQ-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CCC[C@H](C)N(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419636752 KDFNIUXAQFEMMB-SUMWQHHRSA-N 299.418 3.766 30 20 CHED C=C(C)CCN[C@@H](Cc1ccccc1OC)C(C)C 508967021 KLKPWGJVZUANFV-INIZCTEOSA-N 261.409 3.818 30 20 CHED C=C[C@@H]1CCCCN1CCC(=O)Nc1cccc(Cl)c1 489404731 MVCMPOUKDXSPAU-OAHLLOKOSA-N 292.810 3.709 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 77611342 GRYZAHRBRIZXLZ-PBHICJAKSA-N 299.418 3.668 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@H]1CCCC 180965631 GPTOCFZXBPOYAC-KGLIPLIRSA-N 252.402 3.563 30 20 CHED COc1cc(C)ccc1CN[C@H](C)c1cccc(C#N)c1 181891144 NAGPZZCGBBLNAL-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCCOCCN[C@H](C)c1csc(C(C)C)n1 186434469 INSXJPOVYXKKKD-GFCCVEGCSA-N 268.426 3.510 30 20 CHED C=CCC[C@@H](C(=O)OCc1ncc(C)o1)c1ccccc1 188943916 NJVSXQCRDSJLSV-OAHLLOKOSA-N 285.343 3.776 30 20 CHED Cc1ccc(C)c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 75276556 ALEPVHGJEWNFBO-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C=CCNC(=O)Nc1ccc(NC(=O)CCCCC)cc1 42660312 BITDJJURIHDMIK-UHFFFAOYSA-N 289.379 3.513 30 20 CHED CC[C@H](NCCC#N)c1cc(F)cc(Br)c1 411560444 JZHSLLWOCKEDBB-LBPRGKRZSA-N 285.160 3.543 30 20 CHED Cc1nccc(N=C(O)[C@@]2(C)CCc3ccccc3C2)n1 329639687 ZJDLVRMAAOVFDZ-KRWDZBQOSA-N 281.359 3.568 30 20 CHED Cc1cccc(C(C)(C)CNc2ccc(C#N)cn2)c1 49469895 DLAIYWUXIZSQOV-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CCC[C@H](/N=C(/O)c1csc(O)n1)C1CCCCC1 329921842 SVGZWIZLBYZLCY-NSHDSACASA-N 282.409 3.902 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCc1ccsc1 46038494 KAXLYEORNGBTGC-UHFFFAOYSA-N 292.429 3.707 30 20 CHED N#CCCSCCCSCc1ccccc1 413013929 PJALLZBAKIBRJB-UHFFFAOYSA-N 251.420 3.957 30 20 CHED CC(C)Cc1ccc(CCCC(=O)N[C@H](C)CC#N)cc1 134196822 SGTXOJHPVFAQQQ-OAHLLOKOSA-N 286.419 3.626 30 20 CHED Cc1ccccc1[C@H](NCc1cc(C#N)n(C)c1)C(C)C 191014098 ZILZJQBENKVNPT-GOSISDBHSA-N 281.403 3.692 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1nc2ccccc2s1 134910528 KSICVXIHCVLZBT-MRXNPFEDSA-N 288.416 3.857 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnc(-c2ccccc2)nc1 190396056 DFNFNXWOXMYPOT-KRWDZBQOSA-N 281.359 3.684 30 20 CHED CC1(C(=O)NCC#Cc2cccc(F)c2)CCCCCC1 513197899 VWQHUBJVBQQKLO-UHFFFAOYSA-N 287.378 3.654 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CCC1 425150873 VYMFYOUDHAMMRP-LSDHHAIUSA-N 261.409 3.818 30 20 CHED C=CCCCC(=O)N1CCc2cc(Br)ccc21 175453223 ASCHNULMJMDOTM-UHFFFAOYSA-N 294.192 3.695 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)CC(C)C 45603625 FRBHJRBXCHYQSV-UHFFFAOYSA-N 271.813 3.962 30 20 CHED Cc1cccc2c1CN(c1c(C#N)cnc3ccccc13)CC2 428672080 XGAUEBKKOIQCEK-UHFFFAOYSA-N 299.377 3.978 30 20 CHED C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@H](C)C1 425036069 LZVUVZOCWONWLT-HUUCEWRRSA-N 298.430 3.774 30 20 CHED Cn1cc(CN[C@@H](c2ccccc2)C2CCC2)cc1C#N 190950206 YCHFGBXGEMOUCT-SFHVURJKSA-N 279.387 3.528 30 20 CHED CCCOc1ccccc1N[C@H]1CCC[C@@H](C#N)C1 193090797 HVVUNJVWEBFHHB-KGLIPLIRSA-N 258.365 3.970 30 20 CHED C#Cc1cccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 46550435 MGMKCTUESJTRRW-UHFFFAOYSA-N 278.286 3.541 30 20 CHED N#CC1(C(=O)N2CC=C(c3ccccc3F)C2)CCCCC1 334384826 ITQGFSLBBHRROQ-UHFFFAOYSA-N 298.361 3.525 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2C#N)cc1 336413007 BOWMEYNMPFNXGU-UHFFFAOYSA-N 289.338 3.612 30 20 CHED CC[C@H](N/C(O)=N/[C@@H]1CC[C@@H](C)C1)c1ccc(OC)cc1 331222611 KWIUMOTUQJSDIT-XPKDYRNWSA-N 290.407 3.839 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CC(C)(C)c2ccccc21 331705520 CJNFUGZJAMXCSG-INIZCTEOSA-N 294.354 3.612 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)c1ccncc1F 512239871 QBQWRNLNZKGKPR-CYBMUJFWSA-N 293.386 3.670 30 20 CHED C=CCCC(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 338670964 CLLYIFPUJUOGOU-UHFFFAOYSA-N 281.315 3.728 30 20 CHED CCc1ccc([C@@H](C)NC(=O)Cc2ccc(C#N)cc2)cc1 194714212 RRKSWCIISFZZDT-CQSZACIVSA-N 292.382 3.541 30 20 CHED C=C[C@@H](C)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 237423415 UUYZMRGNHLXPSF-SECBINFHSA-N 284.186 3.933 30 20 CHED C[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 429549178 POJKDEUFTUVLEJ-GWCFXTLKSA-N 291.782 3.864 30 20 CHED CC(=O)c1ccc(/C(O)=N/[C@@H]2CCC[C@H](C)[C@H]2C)cc1O 331309268 BNINSPNZXFEFMO-FIXISWKDSA-N 289.375 3.724 30 20 CHED C=CC1CCN(C(=O)c2ccc(C(F)F)cc2)CC1 335730035 TWBYWFRDVFDNJF-UHFFFAOYSA-N 265.303 3.662 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)o1 96920981 YWPRHGMWSSGGJR-WAYWQWQTSA-N 256.301 3.807 30 20 CHED N#CCCCOc1cccc(CNC(C2CC2)C2CC2)c1 237820446 WCEYIVQDGUPBSQ-UHFFFAOYSA-N 284.403 3.647 30 20 CHED N#Cc1ccc(CNCCCc2cccc(Cl)c2)cc1 237775657 KHQGIJULTDCXAQ-UHFFFAOYSA-N 284.790 3.934 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1ccc(C#N)s1 336539621 HWVJJXZCEXYRCB-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC)cc1C 335696844 ZHQWPVVZDRKUHY-CYBMUJFWSA-N 274.364 3.576 30 20 CHED CC(C)CCN(C(=O)NCC1(CC#N)CC1)C1CCCC1 431187571 PTYJGCJQYPZVEZ-UHFFFAOYSA-N 291.439 3.681 30 20 CHED C=CCCCC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 434246081 PVDBALBPNXNBOD-MRXNPFEDSA-N 271.404 3.995 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCCc3sccc32)C1 248830496 HIZNBTUJCKCVQQ-MBNYWOFBSA-N 260.406 3.797 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 248411237 DPAVYBUVCZSYEK-UHOFOFEASA-N 283.375 3.601 30 20 CHED N#Cc1csc(C(=O)Nc2cccc3c2CCCC3)c1 437311332 YZKQUJWTOZVCDB-UHFFFAOYSA-N 282.368 3.751 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2cccc(C)c2)CCCC1 522639558 RFRAYBIGWDTUBL-OAHLLOKOSA-N 271.404 3.888 30 20 CHED C=C(CC)CN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 347924880 FVNKYXSBSIMEEO-JTQLQIEISA-N 289.345 3.679 30 20 CHED C[C@H]1CC(F)(F)CCN1Cc1ccc(Cl)cc1C#N 528775244 XEVQSANTCQJGFO-JTQLQIEISA-N 284.737 3.831 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H]1CCc2ccc(Cl)cc21 342575322 YXVGAEPQOUOTNE-YGRLFVJLSA-N 295.835 3.751 30 20 CHED Cc1ccn(-c2ccc(NCCCC(C)(C)C#N)cc2)n1 340613886 HKWSZMCWWVLDER-UHFFFAOYSA-N 282.391 3.923 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(Cl)cc1F 435739225 FPAVLTBKTWRPAW-IUODEOHRSA-N 283.774 3.550 30 20 CHED Cc1c[nH]cc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 342920147 XJQHCMQIRCUVGR-INIZCTEOSA-N 295.386 3.615 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N(C)c1cccc(C#N)c1 528199845 XISBITDGGCSOLG-OAHLLOKOSA-N 292.382 3.708 30 20 CHED Cc1cc2sc(C(=O)N(C)CCC#N)c(C)c2cc1C 435805082 WIVGKBXJCGCGAM-UHFFFAOYSA-N 286.400 3.812 30 20 CHED CCOc1ccccc1CCNc1ccc(C#N)cc1F 524104292 NUOKKLZUVIZHOG-UHFFFAOYSA-N 284.334 3.751 30 20 CHED CCC[C@H](Cc1ccccc1)NC[C@@H](C)CCC#N 602529133 DYNTYJNBLZYABW-DOTOQJQBSA-N 258.409 3.927 30 20 CHED COC[C@@H](C)n1c(-c2cccc(C#N)c2)nc2ccccc21 435717016 YSXSAUGOHXYVQP-CYBMUJFWSA-N 291.354 3.782 30 20 CHED Cc1ccc([C@H](C)CN(CCC#N)Cc2ccccn2)cc1 600116986 ICXNRSNSZHMJCJ-QGZVFWFLSA-N 293.414 3.909 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2ccc(C)c(OC)c2)CCC1 342370384 DWTKFSUEBYWWHC-AWEZNQCLSA-N 287.403 3.506 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccc(C)cc1)C1CC1 436304982 GFJRHPLHCDXIDK-UFYCRDLUSA-N 299.458 3.887 30 20 CHED Cc1cc(NCC2(Cc3ccccc3)CC2)cc(C#N)n1 342773126 CDORRODUJGWOSZ-UHFFFAOYSA-N 277.371 3.697 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCc2ccc(C)cc21 436288207 DRRNOCWXJNBBET-QRQLOZEOSA-N 285.431 3.943 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1csc2ccccc12 255758239 TZPGENOKURJTFD-FPLPWBNLSA-N 282.368 3.839 30 20 CHED N#Cc1ccnc(NCc2csc(-c3ccccc3)n2)c1 341436708 VEGOVGRTKPVFLA-UHFFFAOYSA-N 292.367 3.689 30 20 CHED C=CCCOCCCCC(=O)N(C)Cc1ccccc1C 342611791 CILFZQHCIDILGE-UHFFFAOYSA-N 289.419 3.716 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCC[C@@H]1F 340927980 PXJVMQPIAPFFOA-STQMWFEESA-N 279.380 3.585 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccc2cc[nH]c2c1 348330053 MOHSQRNWGXUOBY-UHFFFAOYSA-N 261.328 3.676 30 20 CHED Cc1ccc(CNC[C@H](C)CCC#N)cc1Br 602752222 WFKRRSVNXWWRSW-LLVKDONJSA-N 295.224 3.787 30 20 CHED N#CCC1(COC(=O)/C=C\Sc2ccccc2)CC1 255596679 IVVJSMZBDWLWME-WDZFZDKYSA-N 273.357 3.529 30 20 CHED C=CC(C)(C)C(=O)Nc1ncc(C(C)(C)C)s1 449978437 NCLDOADQIVPNJB-UHFFFAOYSA-N 252.383 3.591 30 20 CHED CCOC(=O)c1cccc(NC2CCC(C)(C#N)CC2)c1 449224994 JHYOCYBYBNJISN-UHFFFAOYSA-N 286.375 3.748 30 20 CHED CC[C@H](CC#N)N[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 602614378 XZXGJIQPHCUXFT-AOIWGVFYSA-N 297.446 3.636 30 20 CHED Cn1cc(CNc2ccccc2C(C)(F)F)cc1C#N 449466962 IDGVYFFFAGIFLZ-UHFFFAOYSA-N 275.302 3.621 30 20 CHED C=CCCOCCN[C@@H]1c2cccc(F)c2CC[C@H]1C 537952037 NUXMTFCTFAVWRB-DYVFJYSZSA-N 277.383 3.631 30 20 CHED CC(C)CC1(CNCc2ccc(C#N)cc2)CCC1 531535215 RROYSOMMSFQZTP-UHFFFAOYSA-N 256.393 3.864 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN[C@H]1CC[C@H](C#N)C1 442870435 CVQRMDXHNZWPJQ-FZMZJTMJSA-N 282.309 3.796 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccccc1)C1CCCC1 448744879 CSOPEKHINKPKEY-SQNIBIBYSA-N 299.414 3.625 30 20 CHED C=C(C)CN1CCC(NCc2cccc3ccoc23)CC1 449121444 HQKKKYNZNFWVCR-UHFFFAOYSA-N 284.403 3.563 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 538343972 SXAFKVKLCHIYBL-LBPRGKRZSA-N 291.351 3.770 30 20 CHED C=C(C)CCNC(=O)CCSc1ccccc1Cl 448551167 UIAOIPKMNGKKLE-UHFFFAOYSA-N 283.824 3.905 30 20 CHED C[C@H]1CN(CC(C)(C)CCC#N)C[C@H](C)C1(F)F 600183448 LNJYNEVJMWJARG-RYUDHWBXSA-N 258.356 3.539 30 20 CHED CC[C@@H](C)n1ncc(Nc2ccc([N+](=O)[O-])cc2C#N)c1C 357640688 GCCJQPDBPBYNCV-SNVBAGLBSA-N 299.334 3.686 30 20 CHED CCN(CC)Cc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442858202 OQBUXORQLMZBGF-RHSMWYFYSA-N 271.408 3.633 30 20 CHED CC[C@@H](C#N)NC(=O)C(C)(C)c1ccc2ccccc2c1 611149023 YNSKBMGEUVYWNF-INIZCTEOSA-N 280.371 3.536 30 20 CHED N#CCCCOc1cccc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1 448732313 LCDVFLFFRMZEPN-GRDNDAEWSA-N 298.386 3.744 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1ccccn1 352905810 ZSITWHFVLMMRQF-MRXNPFEDSA-N 298.434 3.998 30 20 CHED CC[C@H](N[C@H](C)Cc1ccncc1)c1ccc(C#N)cc1 447585043 IWGUYACPRIETDC-KDOFPFPSSA-N 279.387 3.625 30 20 CHED C=CCC1(C(=O)NC/C=C\c2cccnc2)CCCCC1 615222014 SWDSISVBVCIOQW-CLFYSBASSA-N 284.403 3.738 30 20 CHED COc1cc(CNc2cccc3ccn(C)c23)ccc1C#N 440622786 FISFCWUTWLXUJY-UHFFFAOYSA-N 291.354 3.671 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)CC(C)(C)C 448914755 CAJVJKHJYBZNQD-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED COc1ccc(N/C(N)=N/CC2=CCCCC2)cc1Cl 263156464 QAEBWLDBFAUPKZ-UHFFFAOYSA-N 293.798 3.576 30 20 CHED CC[C@H](C)CN(C)C(=O)C[C@@H](CC#N)c1ccccc1 355978580 CQRQPRMOZBRBHW-GOEBONIOSA-N 272.392 3.578 30 20 CHED N#Cc1ccncc1NCC1(Cc2ccccc2)CCC1 354555677 AFJPXNZJZWHFRN-UHFFFAOYSA-N 277.371 3.778 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1nc(C)c(C)o1 264842110 MFVKDBCIOZIAKK-UHFFFAOYSA-N 291.395 3.892 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)cc(CN(C)C)c1 443058173 MJUSYILKDKGDOD-KRWDZBQOSA-N 274.408 3.597 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)CCCC#N)CC(C)(C)C1 360471512 BLEONNJKBOUYMR-ZIAGYGMSSA-N 264.413 3.649 30 20 CHED C=C(C)CCN[C@H](C)c1ncc(Br)cc1F 453322406 QUUZTSKTNGRVNP-SECBINFHSA-N 287.176 3.600 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1ccc(Cl)cc1 454159019 MSMKZQIBJGNESV-LLVKDONJSA-N 266.772 3.666 30 20 CHED CC(C)(CC#N)CNCc1ccc(C2CCC2)cc1 459738104 XKULEJWYMSUCNP-UHFFFAOYSA-N 256.393 3.984 30 20 CHED C=CCN(CC=C)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 458827394 JCGBHGGUHZRORN-WMZOPIPTSA-N 284.403 3.564 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCO[C@H](CC)C2)CCCCC1 456367089 NBRMCTWPTPJQMD-HUUCEWRRSA-N 279.424 3.587 30 20 CHED CN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C#N)cc1 619424692 NAROSNJNXCKXOA-UHFFFAOYSA-N 298.411 3.821 30 20 CHED N#CCc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3 619872793 RUQLHNBAFMOHNV-UHFFFAOYSA-N 294.398 3.763 30 20 CHED Cc1cc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(C)s1 618731406 RFGRMMTXOXFGPF-MRXNPFEDSA-N 296.395 3.654 30 20 CHED CC[C@H](CN(CC)C(=O)[C@]1(C#N)C[C@@H]1C)c1ccccc1 450768542 VHICTOZKCRYCDO-DAYGRLMNSA-N 284.403 3.578 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)OCC 458353804 BEOIKIVDFMXEOG-WFASDCNBSA-N 295.810 3.889 30 20 CHED 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CCc1ccc([C@@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 464154714 XABFVPGTFNGNOY-FZKQIMNGSA-N 286.419 3.797 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H](C)c2cccs2)no1 288930071 DYEOAUMYHDKWAU-DMDPSCGWSA-N 290.388 3.732 30 20 CHED Cc1c(Cl)cnc(N2Cc3ccccc3C[C@@H]2C)c1C#N 463470628 RYVLJYJJAKMAKO-NSHDSACASA-N 297.789 3.866 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@@H]1CCCC[C@H]1O 553826149 XPRYOLPPHFUZEE-CHWSQXEVSA-N 285.840 3.693 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 464758907 SWNDIYFWCJHGQY-VIFPVBQESA-N 287.190 3.709 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CCC(CCC(C)C)CC1 556629106 BMPJDTOROYTIKJ-UHFFFAOYSA-N 299.418 3.550 30 20 CHED C=C(C)CCc1noc(-c2cccc([C@@H]3CCOC3)c2)n1 285000954 CZQRITFYBXMKLL-OAHLLOKOSA-N 284.359 3.749 30 20 CHED C=CCC[C@H](NC[C@H]1CCO[C@H]1C(=C)C)c1ccco1 556880816 VHKBJRBUQDFNEE-VYDXJSESSA-N 275.392 3.858 30 20 CHED Cc1cccc2c1N(C(=O)c1cc(C#N)oc1C)CC[C@@H]2C 297950961 UWAXEABSVNGLAI-NSHDSACASA-N 294.354 3.922 30 20 CHED C=CCCCCNC(=O)CCOc1cc(C)cc(C)c1 471685599 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20 CHED C=CCCNC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 661572077 FJNMWGQNVAEDGV-OAHLLOKOSA-N 297.402 3.633 30 20 CHED CCCOc1ccc(-c2cc(CCC#N)on2)cc1OC 901389588 XWQYLXWWSNDYFD-UHFFFAOYSA-N 286.331 3.595 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1ccc(C)cc1Cl 582094921 OQSPNJXWYUSHLZ-JTQLQIEISA-N 269.797 3.895 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)OC3(CCC3)C2)CCCCC1 582967343 VIVRVIOBWKQCTI-HNNXBMFYSA-N 291.435 3.683 30 20 CHED COc1ccccc1C(C)=NNc1c(F)cccc1F 735614535 AESXTJWAPZVNHG-UHFFFAOYSA-N 276.286 3.810 30 20 CHED COC(=O)c1cncc(-c2cccc(CC(C)(C)C#N)c2)c1 906211981 KHWMVNZRTJDJKF-UHFFFAOYSA-N 294.354 3.627 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3oncc3c2)o1 821037962 FPPOXDCLTNQYRN-HYXAFXHYSA-N 253.257 3.625 30 20 CHED C/C=C(/C=C/C(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC 493142688 XVROLUJQHFNTGM-CEJUZYHESA-N 282.387 3.990 30 20 CHED CC(=O)c1ccc(C(=O)OCCCCC2(C#N)CCC2)o1 909240892 IIKZIRVIHNJXSC-UHFFFAOYSA-N 289.331 3.503 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)OCCC(C)(C)C#N 837832038 LSFNLLNKDMQKCP-QWHCGFSZSA-N 251.370 3.686 30 20 CHED C[C@@H](c1ccc2c(c1)CCC2)N1CCC(CC#N)CC1 584092661 VVTOTRRMHDMNFP-AWEZNQCLSA-N 268.404 3.862 30 20 CHED C=CCCOC(=O)c1cc(C)c(OC(F)F)c(C)c1 730922108 QORPQCDGXKMABQ-UHFFFAOYSA-N 270.275 3.638 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2cncs2)cc1 735793232 UYTCHTWMHCZBAW-YVMONPNESA-N 273.357 3.826 30 20 CHED CC[C@](C)(C=NNc1cccc(C(F)(F)F)c1)OC 834916478 ADDDMTIPZRCVCN-GFCCVEGCSA-N 274.286 3.918 30 20 CHED O=C(/C=C\c1ccccc1Cl)c1csc(C(=O)O)c1 730149649 YKDINYAURVORAC-WAYWQWQTSA-N 292.743 3.996 30 20 CHED C=CC(C)(C)C(=O)OCc1c(C)nn(-c2ccccc2)c1C 835088107 RMCQIRONIAYPTK-UHFFFAOYSA-N 298.386 3.745 30 20 CHED C=CCC[C@H](NCCc1ccc(NC(=O)O)cc1)C1CC1 833373571 SOUSKXPOBJLESI-INIZCTEOSA-N 288.391 3.653 30 20 CHED C[C@@H]1/C(=C\c2cccc(C3CC3)c2)C(=O)c2nccn21 901566141 RFJWYXCNVMTTQO-HGLKBHAMSA-N 264.328 3.601 30 20 CHED C[C@@H](C#N)OCCSCCCCC1(C#N)CCC1 901787247 KHJTWPGYXDJHTO-ZDUSSCGKSA-N 266.410 3.512 30 20 CHED CC1(C#N)CCC(=NNCc2cccc(Cl)c2)CC1 834961567 OJFTXUAGCIWBCM-UHFFFAOYSA-N 275.783 3.889 30 20 CHED C=CCON=C[C@@H](C)c1ccc(C(F)(F)F)cc1 835013219 MDKRKSHGCSBHNM-SNVBAGLBSA-N 257.255 3.997 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C1=CC[C@H](C)CC1 836781855 REXMPOUMVIRRKS-STQMWFEESA-N 284.359 3.662 30 20 CHED C=CC(C)(C)CNC(=O)N(C(CC)CC)C1CC1 583979906 JXDQDVABQLOQHR-UHFFFAOYSA-N 252.402 3.561 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)cc1OC 839334969 SBBUPGHMXKQHJD-UHFFFAOYSA-N 267.756 3.889 30 20 CHED CC(C)Cc1nc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cs1 839047996 KKPQNIUKZHHRID-VXGBXAGGSA-N 292.404 3.581 30 20 CHED C[C@H](ON=Cc1cccs1)c1ccc(C#N)cc1 588614599 UNJAFKKYIZQABU-NSHDSACASA-N 256.330 3.731 30 20 CHED C=C[C@H](CC)Cc1nc([C@@H](OCC)C(C)C)no1 904130286 LJPZGUOAMDNTQC-YPMHNXCESA-N 252.358 3.558 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1 675933330 BMVQAEOLROCBHU-UONOGXRCSA-N 252.361 3.974 30 20 CHED Cc1cc(C)cc([C@@H](C)/N=C/c2cccc(O)c2O)c1 730434147 GWMXXYUXBFGMBS-HVOBPNNYSA-N 269.344 3.895 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1F 731489807 MWUHQTWDKUTNIW-FPLPWBNLSA-N 256.276 3.736 30 20 CHED CSc1ccc(CCNC(=O)CCCCCC#N)cc1 588166064 PVBNWOFEFADTSU-UHFFFAOYSA-N 290.432 3.541 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccccc1F 916269220 YUNPUSSBPVJGGL-UHFFFAOYSA-N 273.267 3.570 30 20 CHED CCc1cc(C#N)c(NC(=O)C(C)=C2CCC2)s1 839257644 IFKZMWSJRAFAST-UHFFFAOYSA-N 260.362 3.621 30 20 CHED Cc1ccc(OC(=O)Cc2ccc(C#N)cc2)c(Cl)c1 740795911 AEHIMZYXTAXOJX-UHFFFAOYSA-N 285.730 3.668 30 20 CHED CC(C)(C#N)CCCCSCc1cc2n(n1)CCC2 593194223 JOGURDRRAWNXSO-UHFFFAOYSA-N 277.437 3.783 30 20 CHED Cn1ccc(C/N=C/c2c(O)ccc3ccccc23)c1 748284679 DWBJSKQUPZJOLR-WOJGMQOQSA-N 264.328 3.503 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)Cc1ccoc1 678861167 YMITVSYXZPCGOU-ZDUSSCGKSA-N 264.369 3.556 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1cccc(F)c1 748999548 KLRJZKQEJRRNIG-XQRVVYSFSA-N 261.683 3.770 30 20 CHED CCCCCCCCn1cc(-c2ccncn2)cn1 848447355 PWRUUIGDPKUULM-UHFFFAOYSA-N 258.369 3.701 30 20 CHED CO[C@H]1CCCCC1=NNc1nc2ccccc2s1 915934162 SRHROXWFXKZEJH-LBPRGKRZSA-N 275.377 3.653 30 20 CHED CC1=C(C)C[C@H](C(=O)OCC2(C#N)CCCC2)CC1 842757229 UOFLXWLYSMPFMF-CQSZACIVSA-N 261.365 3.750 30 20 CHED CCCCCCCCCC(=O)N(C)C[C@@H]1CCOC1 749433188 PMLMWCNQDINVMK-HNNXBMFYSA-N 269.429 3.622 30 20 CHED C=C1CCN(C(=O)C2(c3ccccc3F)CCCC2)CC1 595462636 QAIWKCAXSMADHW-UHFFFAOYSA-N 287.378 3.816 30 20 CHED Cc1cc(NN=C[C@H](C)CCc2ccccc2)nc(C)n1 749158450 SCNSLOHJCSZXKY-CYBMUJFWSA-N 282.391 3.760 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cccc(OC)c1O 846170572 OVJROWHOISQANE-GFCCVEGCSA-N 263.381 3.654 30 20 CHED CC(C)CC1(N[C@@H](C)c2ccc(C#N)cc2F)CC1 595095444 NKEZCYYAZXRCLD-LBPRGKRZSA-N 260.356 3.927 30 20 CHED CCc1nc(C#N)cc(S[C@@H]2CCc3ccccc3C2)n1 596359047 DREDJVVQCVAQEJ-OAHLLOKOSA-N 295.411 3.560 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1c(C3CC3)cnn1C)C2=O 849250495 UUHZAFJPIKPEOB-CDCQXCROSA-N 292.382 3.989 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H](CC#N)C1 595611692 MWZWNPKZQUQNSG-NWDGAFQWSA-N 264.319 3.651 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1cccc(C)c1 915915716 IJFIHLVYUJYSMP-UHFFFAOYSA-N 264.332 3.707 30 20 CHED Cc1ccc2c(C)cc(NN=Cc3c[nH]nc3C)nc2c1C 915956716 ZNPZMXPNMQKGDP-UHFFFAOYSA-N 293.374 3.638 30 20 CHED N#Cc1cccc(COC(=O)c2cccc(F)c2Cl)c1 744120236 ZFEOAZZFFXOZGA-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=CCNC(=S)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 746395552 YTCWNRNWCSYTLR-GDBMZVCRSA-N 288.460 3.563 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCc1ccc(C(C)C)cc1 594089881 WPDHEFFQKAVYRY-MRXNPFEDSA-N 272.392 3.503 30 20 CHED COCC(CC(C)(C)C)=NNc1cccc(C(=O)O)c1C 844624066 UHLNTMPABDTDIU-UHFFFAOYSA-N 292.379 3.544 30 20 CHED FC(F)(F)c1ccc(C=NOCc2cccnc2)cc1 746585312 AVHSEGOGECKMOC-UHFFFAOYSA-N 280.249 3.651 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccc([C@H]3C[C@H]3C)o2)o1 745611795 JCQFEESTVZAIJC-PWSUYJOCSA-N 298.346 3.832 30 20 CHED CCCCCCCC(=O)NCc1ccc(N(C)C)c(F)c1 746798600 YIILGQGXRXGWAI-UHFFFAOYSA-N 294.414 3.868 30 20 CHED CC(CC1CCOCC1)=NNc1cccc([N+](=O)[O-])c1C 757575859 RKDUWDCQLHKIOL-UHFFFAOYSA-N 291.351 3.508 30 20 CHED Cc1ccc([C@@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N)o1 851210521 WCTGJBAKSVFUPH-NWDGAFQWSA-N 263.337 3.563 30 20 CHED CCc1ccc(C=NOCc2cccc(F)c2)cc1 853976744 HQZRKAFQUAHSNT-UHFFFAOYSA-N 257.308 3.939 30 20 CHED C[C@H](C#N)CN(C)Cc1ncc(-c2ccc(Cl)cc2)o1 49001046 JVJPOSWAUFOODN-LLVKDONJSA-N 289.766 3.586 30 20 CHED C=CCCC(C)(C)NCc1cnc(Cl)c(C)c1 850416984 IZWCXFRLAORRBU-UHFFFAOYSA-N 252.789 3.878 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)c1ncco1 925755947 SNSYVTFITXWGGP-LBPRGKRZSA-N 271.320 3.530 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(O)c(F)c2)c1 755563394 DADYFTJUVHCUKQ-UHFFFAOYSA-N 258.296 3.594 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1ccccc1Cl)C(C)C 754005458 DGGQUQQXULJKIU-CYBMUJFWSA-N 279.811 3.942 30 20 CHED Cc1cc(F)ccc1NN=Cc1cc(C#N)cs1 750946106 NLDUDXVOHDYMHF-UHFFFAOYSA-N 259.309 3.513 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cccc2c1CCC2 851210545 RATBRMIYIIZAHE-GFCCVEGCSA-N 271.360 3.660 30 20 CHED C=CCC(CC=C)C(=O)OCc1cnn(-c2ccccc2)c1 758515113 VVPYGTUQOZQAJQ-UHFFFAOYSA-N 296.370 3.684 30 20 CHED C=C(Cl)CNC(=O)N1CCC(C)(c2ccccc2)CC1 753068608 XLUWSAVGJHCLJF-UHFFFAOYSA-N 292.810 3.502 30 20 CHED C#CCCCCNC(=O)N[C@@H](CC)c1ccc(Cl)s1 758775592 WZOKJASAUMFZTB-NSHDSACASA-N 298.839 3.955 30 20 CHED Cc1c(NN=C[C@@H]2CC[C@H]3C[C@H]3C2)cccc1C(=O)O 853370619 RUFNFGOIKCRHSC-FRRDWIJNSA-N 272.348 3.527 30 20 CHED C=CCN(C(=O)Nc1ccc(CCC)cc1)[C@@H](C)COC 854225343 DCLJFECENNWRAJ-AWEZNQCLSA-N 290.407 3.694 30 20 CHED C=C(Cl)CNC(=O)/C(C)=C/c1ccccc1Cl 755911792 FZIAFAAIYQQQHJ-VQHVLOKHSA-N 270.159 3.612 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H]2C[C@@H]2c2ccccc2)n1 755745412 TYCYFUBSUURMIT-QWHCGFSZSA-N 286.766 3.640 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)Cc1ccc(C)nc1 851144881 UCCOAEYPDNLGGO-HZPDHXFCSA-N 273.376 3.611 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)cc1 756259924 MBUQZNACFZRNHD-WMZJFQQLSA-N 295.313 3.992 30 20 CHED C#CC(=O)N[C@H](CCC)c1ccc(Cl)c(Cl)c1 753983360 YBPJTQQROWQTEC-GFCCVEGCSA-N 270.159 3.584 30 20 CHED C=CCCSCCNc1ncnc2sc(C)cc12 853790594 TYKJZZWIGRGLLH-UHFFFAOYSA-N 279.434 3.721 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NC[C@H](O)c1ccc(F)cc1 850465378 BXSRYGYIWIUXHQ-JQFCIGGWSA-N 277.383 3.584 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1cccc(F)c1F 768746822 WXMKUZCWNYIQRV-UHFFFAOYSA-N 295.329 3.771 30 20 CHED CCn1nc(/C=C/C(=O)c2occc2C)c2ccccc21 769746757 LUNAJIAMXMMLRD-CMDGGOBGSA-N 280.327 3.854 30 20 CHED C[C@@H](C#N)N(C(=O)CCc1cccc2ccccc12)C1CC1 869253829 OIMHPVPPTAAWCA-AWEZNQCLSA-N 292.382 3.675 30 20 CHED CCCCCON=C(N)c1cccnc1Oc1ccccc1 766741617 MEDVEZYLPIMQNY-UHFFFAOYSA-N 299.374 3.701 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(C)s1 767362086 MCFUJTVIPQNHBM-UHFFFAOYSA-N 269.373 3.851 30 20 CHED CC(CCc1ccsc1)=NNc1ccc(Cl)nn1 764885079 HZXYZFWYIBLSED-UHFFFAOYSA-N 280.784 3.612 30 20 CHED COc1ccsc1C=NNc1ccc(Cl)c(F)c1 764698177 JQLVXORALBVVOW-UHFFFAOYSA-N 284.743 3.995 30 20 CHED CCc1ccc(/C=C2\CCc3nc(O)ccc3C2=O)s1 769614750 MJIDUSMEODKGHA-MDZDMXLPSA-N 285.368 3.624 30 20 CHED CCSc1ccccc1C(C)=NNc1ncc(F)cn1 760254603 NYAHVBNHKDBWNY-UHFFFAOYSA-N 290.367 3.564 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 760770253 KUSBFLXAMWUIRH-OAHLLOKOSA-N 283.415 3.936 30 20 CHED CCN(C(=O)CCCCCC#N)c1cccc(C)c1F 876315413 SICIFALFNAYCEI-UHFFFAOYSA-N 276.355 3.961 30 20 CHED N#CC1(CN2CC=C(c3c[nH]c4ccccc34)CC2)CC1 1119787130 CCVQXWLKZYHTPM-UHFFFAOYSA-N 277.371 3.561 30 20 CHED Fc1ccc(NN=Cc2cscc2Cl)cc1 771871397 FAHWQPQQTVLKAH-UHFFFAOYSA-N 254.717 3.987 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](F)Cc1ccccc1 778034334 MYXLLCDDEXSLKB-OAHLLOKOSA-N 290.382 3.546 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1ccc(F)cc1F 779819370 SRNLVMWXMIAWRZ-UHFFFAOYSA-N 286.285 3.677 30 20 CHED COC(=O)c1cccc(NN=C(C)CC2CCCC2)c1 779826722 BLTUKTXRDARVTQ-UHFFFAOYSA-N 274.364 3.841 30 20 CHED N#CCCCC(=O)OCc1ccc2ccc(Cl)cc2n1 870697731 RHGMLVPYNNZYLM-UHFFFAOYSA-N 288.734 3.625 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(F)c(C#N)c1 770572676 QYUMKQHYRDXTFX-HYXAFXHYSA-N 271.316 3.963 30 20 CHED C=CCc1cc(CN2CC[C@@H](C)[C@@H]2CC)c(O)c(OC)c1 774620198 VNVJJBWPCXDQJS-CJNGLKHVSA-N 289.419 3.750 30 20 CHED CCOCCON=C(CC)c1cc(Cl)ccc1OC 774433740 MJQCGBXDVBKFFQ-UHFFFAOYSA-N 285.771 3.516 30 20 CHED N#Cc1cccc(SCCCOC(F)(F)F)c1 882138141 COYZMUMKFBTUKQ-UHFFFAOYSA-N 261.268 3.577 30 20 CHED CC1(CNC(=O)c2cc(C#N)ccc2F)CCCCCC1 1127575407 LWAWQADSDWYICI-UHFFFAOYSA-N 288.366 3.788 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CC[C@H](O)[C@@H](C)C1 779269156 MGSOZKTVXUDYQK-YWKUEEPXSA-N 295.467 3.913 30 20 CHED C#CCCCN[C@H](C)c1ccc(OCCC)c(OC)c1 775033492 QLJDMUNCXGNKCP-CQSZACIVSA-N 275.392 3.548 30 20 CHED CC(C)C1CCC(CNC(=O)c2cccc(C#N)c2)CC1 1126996888 GYRYDPCFNJDFFZ-UHFFFAOYSA-N 284.403 3.750 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc3sccc3c2)C1 1122717745 NGLIALOBQMBJKW-GWCFXTLKSA-N 271.341 3.750 30 20 CHED C=C1CCC(C(=O)N2CCS[C@H]3CCCC[C@@H]32)CC1 889433792 JVKGTSOWQVQFOL-GJZGRUSLSA-N 279.449 3.619 30 20 CHED CCCCCC[C@H](CC)C(=O)Nc1n[nH]c(C)c1C#N 788175001 FJCVXBTTYPWIQQ-LBPRGKRZSA-N 276.384 3.525 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2ncncc2Cl)C1 780280777 TZEDLJGBUFVFGT-GHMZBOCLSA-N 266.776 3.744 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1cc2ccccc2o1 780253000 NDERHGMYEABCBH-CQSZACIVSA-N 286.375 3.704 30 20 CHED C=CCCCC(=O)Nc1c(C)nc2ccc(Cl)cn12 786657479 SNQUOZUAABZBPV-UHFFFAOYSA-N 277.755 3.591 30 20 CHED COc1ccc(C=NNc2ccc(C#N)c(Cl)c2)cc1 783878520 XBTCWRIDHILWPW-UHFFFAOYSA-N 285.734 3.666 30 20 CHED C[C@@H](CC(=O)OCCCC(C)(C)C#N)c1ccc(N)cc1 784675682 JZGMWQFANZYXCX-ZDUSSCGKSA-N 288.391 3.636 30 20 CHED N#Cc1ccc(C2CCN(C(=O)C3=CCCCC3)CC2)cc1 887701518 AOXPBFLZKKYLBB-UHFFFAOYSA-N 294.398 3.765 30 20 CHED C[C@H](C(=O)N1CCC(c2ccc(C#N)cc2)CC1)C(C)(C)C 887704386 CPHSIDIGNGLBKT-CQSZACIVSA-N 298.430 3.946 30 20 CHED N#Cc1ccccc1NC(=O)c1cccc2c1CCCC2 1124260915 YVLXDDUCISFVBW-UHFFFAOYSA-N 276.339 3.689 30 20 CHED N#Cc1cc(F)cc(NC2CCC(C(F)F)CC2)c1 1560968657 RGXXXWTXRZWUGK-UHFFFAOYSA-N 268.282 3.933 30 20 CHED COc1ccc([C@H](C)N(C)c2ccc(C#N)cc2)cc1 301232344 BHOOWAGJPCQWCE-ZDUSSCGKSA-N 266.344 3.764 30 20 CHED C#Cc1cccc(N(C)CCCCOC(C)(C)C)c1 789318549 GRLAQKNIPMBWOT-UHFFFAOYSA-N 259.393 3.699 30 20 CHED COc1ccc(NN=C(C)c2cc3ccccc3o2)nc1 780267636 NCKZBQACQLXAPD-UHFFFAOYSA-N 281.315 3.673 30 20 CHED C=CCOCCCC(=O)OCc1cccc(Cl)c1F 786303149 MBUKAXQNWRVLPI-UHFFFAOYSA-N 286.730 3.505 30 20 CHED CC[C@@H]1CCC[C@H](C=Nn2c(S)nnc2C(C)C)C1 783805771 KEZFVWPRNNHWSC-NEPJUHHUSA-N 280.441 3.741 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NN[C@@H]1CCCC1(C)C 782289323 UMXZLUXDAPKZDW-GFCCVEGCSA-N 296.846 3.699 30 20 CHED Cc1oc2ccccc2c1C=NNC1CCCCC1 786041684 BJQPNOWCYVXJCR-UHFFFAOYSA-N 256.349 3.997 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1sccc1Cl 782288346 PNWVVCZEGZFWPU-LLVKDONJSA-N 256.802 3.904 30 20 CHED Cc1nn(C(C)C)c(C)c1CNCC1CCC(C#N)CC1 894247218 VJIUEDBZBCUIQL-UHFFFAOYSA-N 288.439 3.500 30 20 CHED CCc1c(C(=O)N[C@H](C#N)C2CCCC2)oc2ccccc12 893710689 UZFQMUPMYGUIGT-OAHLLOKOSA-N 296.370 3.807 30 20 CHED CCC1(C)CCC(=NNCCc2ccncc2)CC1 789093641 FQVNRNJGIGQOEV-UHFFFAOYSA-N 259.397 3.560 30 20 CHED Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ncc1C#N 1130504800 UVPKGEXTQAADPA-SOUVJXGZSA-N 297.402 3.807 30 20 CHED N#CCc1ccccc1C(=O)OCCCc1ccsc1 783116981 FKQRNRACLAYXIM-UHFFFAOYSA-N 285.368 3.604 30 20 CHED C=CCC[C@@H](NCc1ocnc1C)c1ccccc1 894359560 RDIJQUNXRFLAQX-OAHLLOKOSA-N 256.349 3.780 30 20 CHED CCc1onc(C)c1/C=C1\Cc2ccc(F)cc2C1=O 899362181 MOKUGXKDUHTKPO-YRNVUSSQSA-N 271.291 3.507 30 20 CHED C#CCCN[C@H]1c2cccc(Br)c2CC1(C)C 795123691 OTGWETWNAALTIF-AWEZNQCLSA-N 292.220 3.685 30 20 CHED COc1cc(OCCCCC(F)(F)F)ccc1C#N 277595850 LZGJNNFBYCUORJ-UHFFFAOYSA-N 273.254 3.678 30 20 CHED Cc1cc(C)c(C=NNCc2ccccc2N(C)C)cc1C 794957907 TXMULDUVCNVQQA-UHFFFAOYSA-N 295.430 3.802 30 20 CHED Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1Cl 70158494 REYYQTGYHDOMPZ-UHFFFAOYSA-N 284.746 3.701 30 20 CHED COc1ccc2cc(N[C@H]3CC[C@H](C#N)C3)ccc2c1 797022417 QPBRNGLWRGNXNJ-WFASDCNBSA-N 266.344 3.953 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NNc2ccccn2)C1 799106024 SRNJXBXDZZLPOZ-CQSZACIVSA-N 280.375 3.911 30 20 CHED N#Cc1ccc(NC(=O)NCC2CCCCCC2)cc1F 1205986455 JHPKWACYCSUATD-UHFFFAOYSA-N 289.354 3.789 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2ccccc2F)cc1C#N 799363958 UPLSYQDAOWKNSJ-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C#CCN(C)C(=O)c1sc2cccc(C)c2c1Cl 790966575 JCIBWJIEKXJKCR-UHFFFAOYSA-N 277.776 3.568 30 20 CHED Cc1ccc(C#N)cc1NC(=S)Nc1ccccc1 63875739 AAHAHDFKBHHQPF-UHFFFAOYSA-N 267.357 3.676 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1c(C)cc(C)cc1O 799865852 ZKOVEKSNKIKCAW-UHFFFAOYSA-N 299.330 3.753 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1cc(C#N)ccc1F 1219051519 IARLDDMXXHNWQH-JTQLQIEISA-N 277.343 3.644 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc3c(c2)CCC3)n1 1317902505 DIAJGLIIKOAVHR-UHFFFAOYSA-N 277.371 3.671 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1F 1319686041 FUAWVVAPJVOAFI-YCRREMRBSA-N 274.266 3.870 30 20 CHED CCc1ccc([C@H](NC(=O)CC#N)c2cccc(F)c2)cc1 1320371470 YHPRXYMMZOZREX-SFHVURJKSA-N 296.345 3.507 30 20 CHED CC(C)CCN(Cc1cc(C#N)ccn1)C1CCCC1 1641614151 ZJXYRBILMFLALS-UHFFFAOYSA-N 271.408 3.744 30 20 CHED Cc1cc(C#N)nc(N[C@H]2CCC[C@H](C(C)C)CC2)n1 1642600272 MBHJSSSDHDSQPV-KBPBESRZSA-N 272.396 3.674 30 20 CHED CC#CCN(C)C(=O)c1ccc(-c2cccs2)s1 1324387967 OBZJIWAMVHNBKC-UHFFFAOYSA-N 275.398 3.572 30 20 CHED N#Cc1cccc(-c2nnc(-c3cc4c(s3)CCC4)o2)c1 1326183564 OWTQMWOBPMZWFG-UHFFFAOYSA-N 293.351 3.825 30 20 CHED Cc1ncsc1CSCc1cc(C#N)ccc1F 1327595480 KBITZAMKFNMMBY-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C=CCCCCNCc1sc(N2CCCCC2)nc1C 1320332108 KGXBBKFVOPBKJB-UHFFFAOYSA-N 293.480 3.888 30 20 CHED C=C[C@H](COC)NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 1255035934 INGILWWQVKGJED-RHSMWYFYSA-N 289.419 3.621 30 20 CHED C=C(C)CCC(=O)Nc1nc2ccc(C(C)=O)cc2s1 1338101306 ZALWDJPZHJPUEB-UHFFFAOYSA-N 288.372 3.794 30 20 CHED C[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1F 1261149568 FOMVQNSCRKVSMG-LLVKDONJSA-N 294.345 3.514 30 20 CHED C=C(CC)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 1346361008 UJEINMUCGNUFQB-UHFFFAOYSA-N 282.387 3.840 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc(C(F)F)cc2F)C1 1342711675 SGRFDUHKJNJLNJ-WCBMZHEXSA-N 283.249 3.612 30 20 CHED C=C(CC(C)C)C(=O)NC1(c2ccccc2F)CC1 1346573513 DVVNRYVJSOGJGK-UHFFFAOYSA-N 261.340 3.533 30 20 CHED CC(C)c1cnc(CNc2ccc(OCC#N)cc2)s1 1342228486 JZRKBDPGXMSJRB-UHFFFAOYSA-N 287.388 3.781 30 20 CHED C=C[C@H](C(=O)N1[C@H]2CC[C@H]1CC(F)(F)C2)c1ccccc1 1352464850 KWNYXDYBMARFAD-KKUMJFAQSA-N 291.341 3.745 30 20 CHED CC[C@@H](C)[C@@H](C)N1CCCN(c2ccccc2C#N)CC1 1459434079 AIPBDIQCDKXRNL-HZPDHXFCSA-N 285.435 3.505 30 20 CHED N#CC[C@@H](C(=O)N1C2CCCC1CCC2)c1ccccc1 1531160351 JBQFMTYLBJHGOS-OFLPRAFFSA-N 282.387 3.617 30 20 CHED C=C[C@@H](SCc1ccc(C(F)(F)F)cc1)C(=O)O 1609287525 TYBMKVKSMFKSBQ-SNVBAGLBSA-N 276.279 3.578 30 20 CHED C[C@@H]1CC(C(=O)Nc2cc(F)cc(C#N)c2)C[C@@H](C)C1 1535371893 QNXIXMQSSJRVFX-QWRGUYRKSA-N 274.339 3.708 30 20 CHED CC[C@H](C)CCNC(=O)Nc1ccc(C#N)cc1Cl 1465887952 BAXQRYNULKJCKU-JTQLQIEISA-N 279.771 3.769 30 20 CHED C[C@H]1C[C@@H](N2CC[C@@](F)(C#N)C2)c2ccsc2S1 1474444946 SZOOWBDOUUNYTI-UFGOTCBOSA-N 282.409 3.611 30 20 CHED Cc1c(Cl)cnc(NCc2cccc(F)c2F)c1C#N 1612678844 UISYWVRGQKANLM-UHFFFAOYSA-N 293.704 3.805 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(SC2CC2)cc1 1617775841 JITKVZWYAUXGRV-CYBMUJFWSA-N 288.416 3.705 30 20 CHED N#Cc1cccc([C@H](Nc2ccc(C3CC3)cc2)C(=O)O)c1 1610631501 DCYHWXUQJZHMRZ-KRWDZBQOSA-N 292.338 3.673 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(CCC#N)CCC(C)C 1616434354 BUSUWCNBSIBHTD-HNNXBMFYSA-N 266.429 3.847 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(C#N)c(F)c1 1476707901 UOCHMSSWSQRGHD-JTQLQIEISA-N 277.343 3.644 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cccc(-c2cscn2)c1 1611393641 GHFXPYPPYMNAIN-CQSZACIVSA-N 299.399 3.574 30 20 CHED N#Cc1ccnc(CN2CC3(CCC3)c3c(F)cccc32)c1 1615882237 DAPUNBPTFIRTLR-UHFFFAOYSA-N 293.345 3.534 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2ccc(Cl)cc2)c1 1610866486 UBCADBGUFQRXRY-ZZXKWVIFSA-N 276.675 3.527 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(C#N)cc1F 1627415282 RGVFUKZPVDZHJI-QGZVFWFLSA-N 294.329 3.804 30 20 CHED CCc1ccc(CNC(=O)Nc2cc(C)cc(C#N)c2)s1 1625599042 VHMLVDVNEOGBLO-UHFFFAOYSA-N 299.399 3.812 30 20 CHED CCC1(CC)[C@@H](Nc2ccc(CC#N)cc2)C[C@H]1OC 1621236911 WREWJJUTCFNRCN-JKSUJKDBSA-N 272.392 3.758 30 20 CHED Cc1cccc(C[C@@H](C)NCc2cc(C#N)ccc2F)c1 1621524198 CEKWKHOZCOARER-CQSZACIVSA-N 282.362 3.727 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(F)c(Br)c1 119317565 LGRRFZFQVJXKOX-RKDXNWHRSA-N 272.161 3.813 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H]2CCCC[C@@H]2C)c1C#N 1642044744 HKRHGRSIKDNAQR-HZMBPMFUSA-N 277.799 3.930 30 20 CHED COc1ccc(C#N)cc1CN1CCCCc2sccc21 1654305492 DIEJQDFMFYWEHG-UHFFFAOYSA-N 298.411 3.971 30 20 CHED N#Cc1nc(Sc2cccc(F)c2C#N)ccc1Cl 1655612581 UDUNBIRLPSKFGQ-UHFFFAOYSA-N 289.722 3.769 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 1660402555 LHNBOFFTIKCZTG-NUBKLNGGSA-N 280.415 3.987 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC(C)(C)c2ccccc2)c1 1672775355 JXCAJFJKWPZGNG-UHFFFAOYSA-N 293.370 3.924 30 20 CHED C=C(CNC(=O)N[C@@H](CCC)C1CCC1)c1ccccc1 1682940573 BXTYRHRKRXNMMH-KRWDZBQOSA-N 286.419 3.968 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2cccc(C(=O)O)c2)c1 1777439421 JRZQPAJEXREVBU-SOFGYWHQSA-N 284.286 3.728 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)o2)c(C)c1 1776132799 GBAWSLAIBVJDNB-FNORWQNLSA-N 284.311 3.799 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc(-c2ccccc2)cc1 1776148616 WIJBZZPHGPCOGT-GOSISDBHSA-N 295.382 3.863 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CC(C(C)(C)C)C1 1776050636 QAPYFAXQGILARV-UHFFFAOYSA-N 290.363 3.617 30 20 CHED C=CCC[C@@H]1CCCN1Cc1ccc(C(=O)O)c(C)c1 1776170647 DABLCXFFMHYNOG-OAHLLOKOSA-N 273.376 3.624 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 1683545806 ZCCBJKVNULVRGV-QWHCGFSZSA-N 286.847 3.891 30 20 CHED C=CCCC[C@@H](NC[C@@H](CCC)c1ccccc1)C(=O)O 1776171185 FUXUWWZXIBHKFV-IAGOWNOFSA-N 289.419 3.969 30 20 CHED N#Cc1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])cc1 5498520 BVZPVRMAVSQMJT-UHFFFAOYSA-N 288.690 3.699 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1C 11285429 HNKZMTNQZSZWAK-YCRREMRBSA-N 297.310 3.808 30 20 CHED N#Cc1cccc(C(=O)NC2(c3cccc(Cl)c3)CC2)c1 150819692 XDTBTWKXMXXBST-UHFFFAOYSA-N 296.757 3.631 30 20 CHED N#Cc1cc(COc2c(F)cccc2F)ccc1F 158226385 XLRFNYAFBIEXAZ-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)CCc1ccc(C#N)cc1 160877646 PRIWCIYSLSPYSU-ZWKOTPCHSA-N 298.430 3.918 30 20 CHED C=C(Cl)CN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 168837161 VAKNEAQFRISTPH-MWLCHTKSSA-N 251.757 3.591 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cccc(C)c2C)CC1 152958072 QLVMZOICIWTSQN-QGZVFWFLSA-N 286.463 3.995 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H](Nc2ccccc2)C1 155069981 LTAAXSXBQWJGBO-KRWDZBQOSA-N 285.435 3.893 30 20 CHED CCCn1c(-c2c(C)noc2C)nc2cc(C#N)ccc21 155089028 MKARHEXNINHSKM-UHFFFAOYSA-N 280.331 3.590 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCc2cccc(Cl)c2)c1 124789278 UUPRCKVGZKDJJX-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccnc(Cl)c1Cl 907806790 DPQHWKQWXCTUHL-SECBINFHSA-N 285.174 3.569 30 20 CHED COc1cc(CN(C)C2CCCCCC2)ccc1C#N 234918062 XYGDHIVBGSFEFC-UHFFFAOYSA-N 272.392 3.721 30 20 CHED N#Cc1ccccc1NC(=O)c1cc(F)c(Cl)cc1F 152210772 OMFRNHBLRVIJPD-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc3ccccc23)C1 156016531 JICCOYAPOGXJPV-UHFFFAOYSA-N 264.328 3.718 30 20 CHED N#CCOc1ccc(NCc2ccc(Cl)c(F)c2)cc1 43388479 YESWCTKMNQKOMZ-UHFFFAOYSA-N 290.725 3.994 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1ccc(CC#N)cc1 163609142 BZQJEAYDUHVMCN-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CC(C)Oc1cccc(CNc2ccccc2C#N)c1 40444537 BNJZPBKFEBZIDT-UHFFFAOYSA-N 266.344 3.958 30 20 CHED CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cccc(C#N)c1 276243068 MGOASLNAWHGQMA-ZDUSSCGKSA-N 282.309 3.721 30 20 CHED CC[C@@H](NC(=O)C1(C#N)CCCC1)C1CCCCC1 52343173 NXUFBJMLJVFSEI-CQSZACIVSA-N 262.397 3.545 30 20 CHED Cc1ccc(C#N)cc1NCc1csc(C2CC2)n1 179454284 MNGLABXDUFRTLS-UHFFFAOYSA-N 269.373 3.813 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2c(s1)CCCCCC2 183920339 JGBCEKIYJHLYBV-ZDUSSCGKSA-N 290.432 3.829 30 20 CHED Cc1ccc(NC(=O)Nc2cc(C)cc(C#N)c2)cc1 308118380 BIBQLKSRKJFPEC-UHFFFAOYSA-N 265.316 3.819 30 20 CHED C=CCC(C)(C)CNCc1cnn(Cc2ccccc2)c1 310145428 GEZPTYCPYLAJTQ-UHFFFAOYSA-N 283.419 3.623 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(F)c1Cl 602334647 UVBMOYPSJOUEKO-UHFFFAOYSA-N 268.719 3.748 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CC23CCCC3)cc1Cl 610471537 FJOAJWVJAJGSHL-LBPRGKRZSA-N 274.751 3.730 30 20 CHED C=CCC[C@@H](CO)N[C@H]1C[C@H](C)Sc2sccc21 320804727 WGIIJAFHATZGJK-GVXVVHGQSA-N 283.462 3.590 30 20 CHED CCC(C)(C)NC(O)=Nc1cccc(Cl)c1OC 331021647 SIBPFEMCECRYMD-UHFFFAOYSA-N 270.760 3.672 30 20 CHED C=CCCSCCN[C@@H]1CCc2cc(F)ccc21 595058715 JTCRHAARABAUFV-OAHLLOKOSA-N 265.397 3.712 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(C#N)c2)C1 596479172 LQZJLPMXNHHMRH-CHWSQXEVSA-N 271.364 3.601 30 20 CHED C=CCC(C)(C)CNCc1cc(F)c(F)c(F)c1 386745769 DLGSKCWQTQLIOI-UHFFFAOYSA-N 257.299 3.796 30 20 CHED Cc1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1Cl 397771745 MYHYWVKLMKAODB-GFCCVEGCSA-N 291.782 3.806 30 20 CHED C=CCCCCCCCCCNCCN1CCSCC1 2090608689 IPWZTLMKVZIMSZ-UHFFFAOYSA-N 298.540 3.932 30 20 CHED OC[C@@H]1CCC[C@H](C/N=C(/O)[C@H]2CCCC(F)(F)C2)C1 328584537 ISLYNKDZEAAVCT-XQQFMLRXSA-N 289.366 3.567 30 20 CHED N#Cc1ccccc1COC(=O)c1cc2ccccc2o1 7005720 JPNGVVTZTXBPEL-UHFFFAOYSA-N 277.279 3.661 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1sccc1C#N 52031912 UFAWNBKVLBNKSD-UHFFFAOYSA-N 286.356 3.579 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2cccnc2)cc1 57435373 UZDYHSUDCMUIAU-BJMVGYQFSA-N 267.328 3.767 30 20 CHED CC[C@H](CC(=O)Nc1ccc(CC#N)cc1)C(C)C 104209497 JEJXPQSVEYRMPD-CQSZACIVSA-N 258.365 3.763 30 20 CHED C#CCCCNCc1ccc(Oc2cccnc2)c(C)c1 174609840 IWPAZHYWFDCIOU-UHFFFAOYSA-N 280.371 3.685 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)Cc1ccsc1 58451842 PMWJIKKFGLPBPD-GFCCVEGCSA-N 299.399 3.681 30 20 CHED C=CCS[C@H](C)c1nc(-c2cccs2)no1 114756623 HPSULFIUXGUMGV-MRVPVSSYSA-N 252.364 3.778 30 20 CHED CC(C)(CCC#N)CNCC1(c2cccc(F)c2)CC1 174420044 BTPJCVBASXURKB-UHFFFAOYSA-N 274.383 3.777 30 20 CHED CCN(CCC#N)C(=O)CCc1ccc(C(C)C)cc1 103209473 LPNJIHXQMOMJNT-UHFFFAOYSA-N 272.392 3.505 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C/c1cccs1 110427294 OQXYSHLOWYBIGM-MDZDMXLPSA-N 299.395 3.643 30 20 CHED C=C(C)CN(CC)C(=O)NCCCc1c[nH]c2ccccc12 107852238 LNCIUQHDJZDIQW-UHFFFAOYSA-N 299.418 3.708 30 20 CHED C=CC1CCN(C(=O)CCc2cccc(Cl)c2)CC1 110364482 GQKDMVYQDOQBCD-UHFFFAOYSA-N 277.795 3.697 30 20 CHED CC[C@H](C)NC(=O)c1ccc(C#Cc2ccccc2)cc1 25377406 GXCDDXKJHRHDQR-HNNXBMFYSA-N 277.367 3.615 30 20 CHED CC(C)C1CCC(NC(=O)CCc2ccc(C#N)cc2)CC1 119347878 JDZAQWJXOPVZMV-UHFFFAOYSA-N 298.430 3.822 30 20 CHED C#CCOc1ccc(NC(=O)c2coc3ccccc23)cc1 113052577 QGJYOGPEJZEZLF-UHFFFAOYSA-N 291.306 3.697 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)nc1)[C@@H](C)CCC 115044047 JYGRTMGDJSFOMU-AWEZNQCLSA-N 287.407 3.774 30 20 CHED CCCCCCCC(=O)Nc1ccc([S@](C)=O)c(F)c1 174054965 HECQXGILHLSZDZ-FQEVSTJZSA-N 299.411 3.862 30 20 CHED COc1cc(C#N)ccc1CNC(C)(C)c1cccc(C)c1 179590541 ILRFABHLDZVBMH-UHFFFAOYSA-N 294.398 3.900 30 20 CHED CCCCCCOc1ccc(C(=O)N(C)CCC#N)cc1 60617612 PLOYWXVXJFIODL-UHFFFAOYSA-N 288.391 3.631 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCc2ccc(Br)cc21 304219009 GZIIOWDRFUCLSQ-QMTHXVAHSA-N 280.209 3.991 30 20 CHED CC(C)OCCCCNc1c(Cl)cccc1C#N 302096511 SHQNOQDJTRIMFK-UHFFFAOYSA-N 266.772 3.829 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C)c1 62904114 YBAVKXIGPOLGKB-UHFFFAOYSA-N 290.366 3.695 30 20 CHED CCS[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)C(C)C 1263660257 ANICWBSTWQQAQF-QWHCGFSZSA-N 281.377 3.555 30 20 CHED C=CCNC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 69716683 MFRNJPBONSDIME-HOTGVXAUSA-N 272.392 3.540 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1ccoc1 177114515 JDJIUEKCZUXJRU-UHFFFAOYSA-N 296.370 3.521 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H](C)c1cccnc1)c1ccccc1 119808560 JTOAZYPXCCJMJA-HZPDHXFCSA-N 294.398 3.961 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C/c1ccccc1 303463103 HOGYVJXDEUUAGH-OUKQBFOZSA-N 293.366 3.581 30 20 CHED CSc1ccc(NC(=O)c2cc(C#N)cs2)cc1 176890571 JBCWHGVRLIMYJD-UHFFFAOYSA-N 274.370 3.594 30 20 CHED N#Cc1cccc(CN[C@H]2CCC[C@@H]2c2ccccc2)c1 111412690 VTTZTHYOJFTOPY-MOPGFXCFSA-N 276.383 3.984 30 20 CHED C[C@@H](CC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 115972626 VBHLPJKKXFWYSH-LBPRGKRZSA-N 282.318 3.830 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)Cc1cccc2ccccc12 69342825 RYRLEKYNYFASCM-HNNXBMFYSA-N 297.398 3.779 30 20 CHED Cc1cc(F)cc2c(N3CCC(C)CC3)c(C#N)cnc12 301354161 NWDTZWUSDQTERK-UHFFFAOYSA-N 283.350 3.790 30 20 CHED CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)C12CCCCC2 303912426 RWMXEYICGCJIDN-QZTJIDSGSA-N 298.430 3.776 30 20 CHED C[C@@H](CNCc1ccc(C#N)cc1)Cc1cccs1 174534161 FBNZTLYJXNXDRG-CYBMUJFWSA-N 270.401 3.588 30 20 CHED Cc1ccccc1[C@H](C)Nc1c(C#N)cccc1C#N 302475125 UYWIQZXNSFMKHH-ZDUSSCGKSA-N 261.328 3.911 30 20 CHED Cc1cscc1NC(=O)N(C)Cc1ccc(C#N)cc1 124335295 NZGDRGZWGGFXEK-UHFFFAOYSA-N 285.372 3.592 30 20 CHED CC[C@H](C#N)Sc1nnc(Nc2cccc(C)c2)s1 127092504 BLHDUBYGHRWOIR-LLVKDONJSA-N 290.417 3.984 30 20 CHED C=CCC(CC=C)C(=O)NCCc1cc2ccccc2[nH]1 120101956 DIFOONUWOZZZDA-UHFFFAOYSA-N 282.387 3.595 30 20 CHED c1ccc(N/C(=N/CCc2ccco2)N2CCCCC2)cc1 303782684 NJZLGPNHDVLDPN-UHFFFAOYSA-N 297.402 3.776 30 20 CHED Cn1nccc1/C=C/C(=O)c1cc(Cl)ccc1Cl 31823904 OYBKAPIXKCTSHB-HWKANZROSA-N 281.142 3.623 30 20 CHED Cc1cccc([C@H](C)CNc2c(C#N)cccc2C#N)c1 302875372 FHVBKBNDSSWOCU-CQSZACIVSA-N 275.355 3.954 30 20 CHED C=CCN(CC=C)CC(=O)Nc1cc(Cl)ccc1Cl 66215732 YNJXDNWZZYJOMO-UHFFFAOYSA-N 299.201 3.606 30 20 CHED CCN(CC)CCCNc1ccc(C(F)(F)F)cc1C#N 37333901 QHJCDVWNNIVNNA-UHFFFAOYSA-N 299.340 3.721 30 20 CHED N#Cc1c(F)cccc1NCCCCCN1CCCCC1 301268510 QFAAWXZCSSWFSZ-UHFFFAOYSA-N 289.398 3.765 30 20 CHED C=CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 186032821 NWYNZVXKZFDLTJ-KRWDZBQOSA-N 283.346 3.802 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1cccc(Cl)c1C 216208518 GXWZQPRGPJURNX-CYBMUJFWSA-N 294.826 3.873 30 20 CHED C[C@H](SCC1(C#N)CCC1)C(=O)N(C)C1CCCCC1 419578065 IEGUHTMRRPOCBR-ZDUSSCGKSA-N 294.464 3.593 30 20 CHED CC(C)(C(=O)NCCCCC#N)c1cccc(Cl)c1F 185318874 AGSCAQJOKVBVER-UHFFFAOYSA-N 296.773 3.567 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(F)c(Br)c1 153386636 KTVWKSLWBBRCNY-VIFPVBQESA-N 272.161 3.815 30 20 CHED C[C@@H](CNc1snc(Cl)c1C#N)Oc1ccccc1 72945992 KPLRJNKVLOFPNW-VIFPVBQESA-N 293.779 3.548 30 20 CHED C[C@H](C[C@@H](O)c1cccs1)Nc1cccc(F)c1C#N 128881956 DZJIHDOTWKBBES-QMTHXVAHSA-N 290.363 3.683 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)NCCCCC#N)CC1 188522695 ASTNOIBQAHODTM-CABCVRRESA-N 293.455 3.974 30 20 CHED C=CCCC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 181261033 BRUFXFPKAMXWTJ-UHFFFAOYSA-N 271.404 3.835 30 20 CHED N#CC1(CCCSCC2CC(F)(F)C2)CCOCC1 419500604 DCFUKPIBFXRVOC-UHFFFAOYSA-N 289.391 3.865 30 20 CHED N#CC1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 123781904 UWYRGLLDJLBUPX-UHFFFAOYSA-N 286.272 3.580 30 20 CHED C[C@H](C#N)CNc1ccnc2c(Br)cccc12 181125952 JQRWZTJTHFJTCE-SECBINFHSA-N 290.164 3.569 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc3ncccc23)C1 185888512 GALXGAALMMLPMR-CHWSQXEVSA-N 251.333 3.729 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccc(Cl)s1 450723894 KPMSEWGAMZNGHN-SECBINFHSA-N 254.786 3.746 30 20 CHED C[C@@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)c1ccccn1 76824820 MFLMZRUOYNJOOH-XJKSGUPXSA-N 296.345 3.666 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCC12CCC2 417356130 BQVSMIQKUJIUNU-IAGOWNOFSA-N 266.388 3.858 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CCSC 77802531 IGMSJPMLZKSWEP-LBPRGKRZSA-N 298.477 3.587 30 20 CHED C=CCCN(Cc1ccccn1)OCc1ccccc1 187379929 CGCSZTWOCJJJIO-UHFFFAOYSA-N 268.360 3.592 30 20 CHED COc1cc(/C=C\C(=O)c2cccs2)cc(OC)c1 211716935 WBUXGUSSZDYPLU-WAYWQWQTSA-N 274.341 3.661 30 20 CHED Cc1cccc(-n2ccnc2S[C@H](C)CCC#N)c1 188258948 MIFCHZRLQYVKHB-CYBMUJFWSA-N 271.389 3.965 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cncc(-c2ccccc2)c1 410828343 NHAXYXFLORKKPF-KRWDZBQOSA-N 293.370 3.513 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1cnccn1)c1ccc(F)c(F)c1 186455470 ROBHZRRAHWHAOB-ZBEGNZNMSA-N 289.329 3.723 30 20 CHED CCCN(CCc1cccc(F)c1)[C@H]1CC[C@@H](C#N)C1 411284113 RQBQSHZEXOBBNS-WBVHZDCISA-N 274.383 3.772 30 20 CHED CCCCCCCN1CCC[C@H](c2nc(C)no2)C1 172651717 GBZXULPDMMKNQW-AWEZNQCLSA-N 265.401 3.528 30 20 CHED N#CCCC[S@@](=O)Cc1cc(Cl)sc1Cl 417229573 XTONDCNYVOVRLJ-OAHLLOKOSA-N 282.217 3.607 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cncs1)CO2 130025056 YFUBLRKOQHFEJM-XGICHPGQSA-N 285.368 3.925 30 20 CHED N#CCCNC1(c2ccc(C(F)(F)F)cc2)CCCC1 411498579 QJKAUOPLBMEOAB-UHFFFAOYSA-N 282.309 3.978 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(c3c(F)cccc3F)CCC2)C1 414228090 DFZPKBOXCHGPMN-CHWSQXEVSA-N 290.357 3.668 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(CC#N)cc1Cl 411020456 UXZPWGRLCLAXPR-UHFFFAOYSA-N 262.740 3.557 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 88305117 PBWSXUAOHMXMKX-ZZXKWVIFSA-N 289.237 3.769 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1cccc2ncccc12 89844663 ZVZQXMKYOYJUGW-UHFFFAOYSA-N 280.371 3.966 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 44809318 WLRLNDSRCBVLFO-ZDUSSCGKSA-N 280.327 3.967 30 20 CHED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1cccc(C#N)c1 193017564 KHDLTIITRWWUEH-GFCCVEGCSA-N 291.354 3.616 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(-c2ccccc2)n1 340100097 FUVWYMMWAFRFKR-GFCCVEGCSA-N 271.389 3.544 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H]2CCCC[C@@H]21 130410027 MICPTKZYORXJAC-WBVHZDCISA-N 284.403 3.721 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C(/O)c1cc(O)nc(C2CC2)c1 329942005 COKFYNFYBOALCJ-RISCZKNCSA-N 288.391 3.938 30 20 CHED N#Cc1cccc(NCc2cc3c(s2)CCCC3)n1 609894764 RBBPOEJBQGTEKX-UHFFFAOYSA-N 269.373 3.506 30 20 CHED O/C(=N/CC1CCCC1)c1ccnc(OC2CCC2)c1 328850774 URVIILYNDLCDTM-UHFFFAOYSA-N 274.364 3.508 30 20 CHED C=CCCN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 513201575 OOBYOOITQAWKLF-HNNXBMFYSA-N 299.336 3.573 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C=C(CC)CC 131763949 IJQUNDJGLJFFJT-UHFFFAOYSA-N 275.323 3.523 30 20 CHED COc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 130423571 BQQBNRGJUQVVHJ-SFHVURJKSA-N 280.371 3.830 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(SC)cn2)no1 424365584 UOUOREXQPNCUSM-UHFFFAOYSA-N 275.377 3.707 30 20 CHED CC1CCC(N(/C(O)=N/[C@@H]2CCC[C@H]2C#N)C2CC2)CC1 329670795 RVERWXZAAUNSHN-NQKKVCCDSA-N 289.423 3.636 30 20 CHED Cc1cccnc1NCc1ccc(F)c(C#N)c1Cl 428888735 OVMAALDEFIKMOO-UHFFFAOYSA-N 275.714 3.666 30 20 CHED Cc1cc([C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)c(C)o1 336244642 VFYOUBJSGFZAHL-PXAZEXFGSA-N 286.375 3.548 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@]23CCC[C@@H]2C3)cc1C#N 421568413 GUYRFKIAWSFZFT-ACJLOTCBSA-N 298.386 3.864 30 20 CHED C[C@H](C#N)N(CCCC#N)Cc1cccc(C(F)(F)F)c1 425535709 NXRQVPFBTUHHPH-GFCCVEGCSA-N 295.308 3.723 30 20 CHED C=CCC1(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CCC1 191836721 IZIYOVUAECXXKM-INIZCTEOSA-N 298.430 3.518 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(F)cc1Cl 336295055 ADRSOMXWHBIHAM-UHFFFAOYSA-N 278.670 3.505 30 20 CHED N#Cc1cc(C(=O)N2CCCC3(CCCCCC3)C2)ccn1 193385886 WCKBHKKTMGERCD-UHFFFAOYSA-N 297.402 3.530 30 20 CHED CC(C)(C)CCC[S@@](=O)c1cccc(F)c1C#N 518397850 WRKNQYDQMSAFFC-GOSISDBHSA-N 267.369 3.631 30 20 CHED CC(C)(NCCCC1(C#N)CCOCC1)c1cccs1 337212434 VNGOZKHFJPMYDW-UHFFFAOYSA-N 292.448 3.673 30 20 CHED C=C(C)CNCc1ccc(-n2cnc3ccccc32)cc1 512346958 PXSWZEXMCIWPKB-UHFFFAOYSA-N 277.371 3.691 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cccnc1 90665169 QWQAMPJGRBQFBE-WMLDXEAASA-N 265.360 3.777 30 20 CHED CC(C)CCN(CCC(C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1 425836320 BHNNRNPHQKQPEO-JKSUJKDBSA-N 293.455 3.782 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)C1CCCCC1 512626421 XJIBHDANAGSHTN-HIFRSBDPSA-N 266.429 3.951 30 20 CHED Cc1sc(NC(=O)c2ccncc2Cl)c(C#N)c1C 91450612 BSBQWIRSQZYYJW-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C=C[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 237581772 LBHQNWYIRJLDIW-NSHDSACASA-N 288.372 3.987 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C#N)cc2F)C1 336536236 UWNZDHDMRDUJQB-UGSOOPFHSA-N 295.361 3.675 30 20 CHED C=C1CCN(c2nc(C(F)F)nc3ccccc23)CC1 335827193 VCRXSJFAGMKEAZ-UHFFFAOYSA-N 275.302 3.724 30 20 CHED C#CCCCCN[C@H]1CCSc2ccc(F)cc21 90399256 RPDFZSWYDRPBNA-AWEZNQCLSA-N 263.381 3.756 30 20 CHED Cc1csc(NC(=O)[C@H](C)c2cccc(F)c2)c1C#N 335992380 VJCSLEFJBPFFIR-SNVBAGLBSA-N 288.347 3.810 30 20 CHED CC(C)(C#N)CC(=O)N1CC[C@H]1c1ccc(Cl)cc1 334224726 HJYMKWFVIXCIGR-ZDUSSCGKSA-N 276.767 3.553 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H](C)C(C)(C)C)cc1C#N 435357418 LEASGZSHMKYHFJ-GFCCVEGCSA-N 288.391 3.966 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CCO[C@@H]1c1ccccc1 431676839 SLECMQRNKPMPGG-IAGOWNOFSA-N 286.419 3.684 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CCOc2ccc(F)cc21 96988696 UOGKILOFKXOELZ-WQLSENKSSA-N 284.286 3.580 30 20 CHED C=CCn1cccc1-c1nc([C@H]2CCC(F)(F)C2)no1 347241953 JZPJRYYSAMGGIZ-JTQLQIEISA-N 279.290 3.627 30 20 CHED C=CCOCC(=O)N(c1ccccc1)C1CCCCC1 521534035 UFKATUVLIYFBAY-UHFFFAOYSA-N 273.376 3.555 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2nccs2)C1 246429668 SVQGLPGRKNJIGP-XJKSGUPXSA-N 297.427 3.955 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cccc(Oc2ccccc2)c1 349361365 BMOCOERTEARHMJ-AWEZNQCLSA-N 294.354 3.853 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H](Cc2ccccc2)C1 525636107 GQWHONIUXYIQEH-INIZCTEOSA-N 294.373 3.762 30 20 CHED Cc1ccc2c(CCC(=O)N(CCC#N)C(C)C)c[nH]c2c1 524718821 RMBRDWVCFABMJL-UHFFFAOYSA-N 297.402 3.560 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1C[C@H]2CC[C@H]1C2 341686804 GNJNHIMKCWCMCS-HZCDGDGTSA-N 266.388 3.714 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc2oc(C)nc12 348419601 JAUDANJCOQDIQT-LLVKDONJSA-N 272.348 3.611 30 20 CHED N#CCCNc1cccc(C[S@](=O)C2CCCCC2)c1 521427468 FFXHMPOFFMFDCV-FQEVSTJZSA-N 290.432 3.594 30 20 CHED Cc1ccc(-c2cccc([C@H]3CCNC3)c2)c(C#N)c1 600775558 JTHGJZFANLVYNX-INIZCTEOSA-N 262.356 3.611 30 20 CHED C=CCN(CCC#N)C[C@@H](C)CCc1ccccc1 430096255 FAPCPEUDMYSCAQ-INIZCTEOSA-N 256.393 3.657 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCC1(CCOC)CCCCC1 435743017 XWEVNSBVHKSOHQ-SJORKVTESA-N 295.467 3.544 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(F)cc1F 432481511 BSNHVLXIHAGTIZ-UHFFFAOYSA-N 268.307 3.689 30 20 CHED C=CCCCCNC(=O)c1c(O)cc(Cl)cc1Cl 436916300 VULSVPKRRWTFCZ-UHFFFAOYSA-N 288.174 3.785 30 20 CHED C[C@H](NC(=O)N1CCCC2(CCC2)C1)c1ccc(C#N)cc1 348706080 NHCFOOIXDIIEEA-AWEZNQCLSA-N 297.402 3.595 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)CC(C)(C)C1CC1 602393189 RNZHSUZVQLDAAZ-UHFFFAOYSA-N 288.366 3.817 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)CCc1ccc(C#N)cc1 609116780 DGYUCGRQXLQAAD-QZTJIDSGSA-N 298.430 3.966 30 20 CHED CCN(CCC#N)Cc1ccc(-c2ccccc2F)o1 349854265 NEZQEXCKNAVLGP-UHFFFAOYSA-N 272.323 3.821 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCO[C@H]1c1cccnc1 344243443 JFAXPJKHNVIYNH-BBWFWOEESA-N 274.408 3.636 30 20 CHED Cc1cccc([C@H](C)CNC(=O)c2ccccc2CC#N)c1 601220918 DPSXYHDZPCCAJT-OAHLLOKOSA-N 292.382 3.595 30 20 CHED CC(C)(C#N)CCSCCCOCC(F)(F)F 341903170 RBPASAIXLMPCRF-UHFFFAOYSA-N 269.332 3.628 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCC[C@@H]1C 522035541 XZLQCIGMXPEUDB-JKSUJKDBSA-N 291.435 3.976 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(OCC)c1 523512573 HBZMKQRDUAKAKI-UHFFFAOYSA-N 275.392 3.904 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@@]3(CCc4ccccc4O3)C2)C1 528728232 JLQWJIVRQKSJKI-SZVBFZGTSA-N 296.414 3.538 30 20 CHED C[C@@H](CCC#N)CN1Cc2ccccc2OC(C)(C)C1 602663994 MXGRGLROIHHSMV-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C=CC[C@H](C)NC(=O)N(C)Cc1ccc2ccccc2c1 604900685 AKEMIPXMADUKHE-AWEZNQCLSA-N 282.387 3.946 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 255670440 NLUGUECCGSEMTM-WAYWQWQTSA-N 289.237 3.769 30 20 CHED Cc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)c(F)c1 601118385 MEJGVDDHQNTPOB-SFHVURJKSA-N 280.346 3.783 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)[C@H](C)c1ccccc1 449548635 PDHSCRCBZDSBAU-DIECFANBSA-N 259.393 3.502 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(C)c(C)c1 352598988 WUZIKPXWOCUPIL-UHFFFAOYSA-N 283.371 3.767 30 20 CHED CCc1ccc(NC(=O)c2cc(C#N)cs2)cc1C 538798944 GQNXYGNBYILPLT-UHFFFAOYSA-N 270.357 3.743 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C#N 354567231 DQTRWDNKTBRSTA-GFCCVEGCSA-N 296.330 3.651 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C)cc1 604360460 VYZRYNGPTBGPBZ-UHFFFAOYSA-N 295.342 3.909 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)cc(Cl)c1O 443108879 KFBGMERKHKWEPY-ZDUSSCGKSA-N 271.719 3.726 30 20 CHED COc1cc(C)c([C@@H](C)NC[C@@H](C)CCC#N)cc1OC 602516012 VDNDBQLCCQLDGH-GXTWGEPZSA-N 290.407 3.603 30 20 CHED CC[C@@]1(C)CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 356435866 YCEAFDSUPCPXSQ-WMZOPIPTSA-N 284.403 3.723 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N[C@](C)(C#N)CC(C)C)C1(C)C 604540405 XZBOWTNPENVFSN-CPUCHLNUSA-N 276.424 3.669 30 20 CHED N#Cc1cc2c(nc1SCCCc1cnoc1)CCCC2 600518802 YGIYBGFUXJCBDW-UHFFFAOYSA-N 299.399 3.545 30 20 CHED CC(C)Cc1ccc([C@H](C)NC(=O)[C@]2(C#N)C[C@H]2C)cc1 448572830 KRSHUYBLKMZECO-GLJUWKHASA-N 284.403 3.612 30 20 CHED Cc1cccc2c1CCCN2Cc1ccc(C#N)cc1F 609625754 YMSQBLVWGKETLU-UHFFFAOYSA-N 280.346 3.959 30 20 CHED C=C(C)CCc1noc(-c2ccnc(SCC)c2)n1 351621469 YRAWXBYBWHUGLX-UHFFFAOYSA-N 275.377 3.752 30 20 CHED CC(C)(C#N)CCCC[S@](=O)Cc1c(F)cccc1F 357141789 BHMKKYWJZCPJRQ-FQEVSTJZSA-N 299.386 3.934 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2cccc(OC)c2)CCCC1 619104041 IRRXSPGCVPOUEF-CQSZACIVSA-N 287.403 3.804 30 20 CHED C=CCSCCNCCc1ccc(F)cc1Cl 356182366 GTBSGVMAZQPGCZ-UHFFFAOYSA-N 273.804 3.530 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(SCC)cc1 539296480 BIMJVFYAEXGBMG-ZIAGYGMSSA-N 279.449 3.634 30 20 CHED CCC(=O)c1ccc(OCc2ccc(C#N)cc2)c(F)c1 532187199 PFYRTZBAYJJPDS-UHFFFAOYSA-N 283.302 3.869 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCC[C@@H]2C)c1 359929650 KOXGICHRAYISLN-NHYWBVRUSA-N 256.349 3.609 30 20 CHED C[C@]1(C#N)CCCN(CCCCCOc2ccccc2)C1 615136908 ITUWUJQNKBBARR-GOSISDBHSA-N 286.419 3.861 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C1CCCCCC1 618738188 DDRUFBITZNIWJT-KRWDZBQOSA-N 282.387 3.632 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(Cl)cc1SC 617252270 OTCUUTWSVSOUSO-SNVBAGLBSA-N 299.823 3.982 30 20 CHED CC(C)CN(C(=O)CSCC#N)c1ccc(Cl)cc1 268543865 LMAWJFJLEKEHOL-UHFFFAOYSA-N 296.823 3.586 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CCc3ccccc32)C1 617783664 DLWYQWJKJSXNCE-WBVHZDCISA-N 283.415 3.921 30 20 CHED C=CC1CCN(Cc2ccc(OC)cc2OC(F)F)CC1 536673627 SDRJOBSRHZUVRG-UHFFFAOYSA-N 297.345 3.695 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)c1cc(C#N)oc1C 619551185 LMCIGAKJSYYPAL-QGZVFWFLSA-N 294.354 3.609 30 20 CHED CC[C@H](Nc1cnn(CC2CC2)c1)c1ccc(C#N)cc1 618574682 HHJILKLDMLYISX-KRWDZBQOSA-N 280.375 3.728 30 20 CHED CC(C)[C@H](C(=O)NCC(C)(C)C#N)c1cccc(Cl)c1 611693505 MSNIGYHEFKWQOD-AWEZNQCLSA-N 292.810 3.746 30 20 CHED Cc1cc(C)c(CC(=O)Nc2cccc(CC#N)c2)c(C)c1 456755587 SCTVQXOVMUFOPI-UHFFFAOYSA-N 292.382 3.859 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C(C)(C)C)C(F)(F)F 531561871 IMXICSZNMRGURK-LBPRGKRZSA-N 277.330 3.848 30 20 CHED COc1cc(C#N)ccc1OCc1cc2ccccc2o1 362999941 BUYBQUFYYPSQNH-UHFFFAOYSA-N 279.295 3.892 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1cccc(SC(F)F)c1 264028345 BLSNHBCWCATDNH-SECBINFHSA-N 299.346 3.625 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1ccc(SCC)cc1 362369991 JIDGBCPZZHSNAS-NWDGAFQWSA-N 278.421 3.733 30 20 CHED C[C@@H]1CCCCN1C(=O)c1c(Cl)cc(C#N)cc1Cl 619242145 BFCKWNDCMCNKHK-SECBINFHSA-N 297.185 3.880 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(C#N)cc1 360704905 LYSFYMPAFRCSRK-BBRMVZONSA-N 284.403 3.845 30 20 CHED CN(C)c1cccc(CSc2cccc(C#N)c2)c1 610722537 ZWHXJHTUYPBKBV-UHFFFAOYSA-N 268.385 3.917 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)C1CCCC1 610521872 WRQGWKWLFXEKLF-CXAGYDPISA-N 276.424 3.791 30 20 CHED C=CCC[C@H](NCC(C)(C)C1(O)CCCC1)C1CC1 453389556 RTKGNLQMMSVAJN-HNNXBMFYSA-N 265.441 3.652 30 20 CHED CC(C)(CCC#N)CN1CC(Cc2ccc(F)c(F)c2)C1 459635219 YHLGUOOMSALZPQ-UHFFFAOYSA-N 292.373 3.769 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC[C@@H](F)C2)CCCCC1 451761891 IDAYCEOXKXGHPP-CHWSQXEVSA-N 253.361 3.520 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 452775018 NIVCGCRFLNIUNF-QFBILLFUSA-N 283.415 3.609 30 20 CHED C=CCCC1(C(=O)Nc2cc3c(cn2)CCCC3)CC1 361197037 DETIWUYWYVBVEJ-UHFFFAOYSA-N 270.376 3.645 30 20 CHED C#CCCCCC(=O)Nc1c(Cl)ccc(F)c1C 279284092 XCHFBPFVDMCZOL-UHFFFAOYSA-N 267.731 3.920 30 20 CHED CCCCC[C@@H](C)CC(=O)Nc1cc(C)n(CCC#N)n1 271156149 UWICPQUHSAYEJA-CYBMUJFWSA-N 290.411 3.650 30 20 CHED CCN(CCC#N)C(=O)C1(c2cccs2)CCCCC1 271037658 NBBPMNVDNMOJLY-UHFFFAOYSA-N 290.432 3.712 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@](C)(C#N)C(C)(C)C 363832623 XBQXSEQTLBCKKY-BFQNTYOBSA-N 290.432 3.605 30 20 CHED CCCn1ccc2cc(NC(=O)CC(C)(C)C#N)ccc21 278350742 ZNLIBYZRZVUEEL-UHFFFAOYSA-N 283.375 3.930 30 20 CHED C=CCn1c(SCCN(CC)CC)nc2ccccc21 546544725 ZQNYBYVOGQFLFG-UHFFFAOYSA-N 289.448 3.656 30 20 CHED C#CCCCC(=O)N1CCC(c2ccc(Cl)cc2)CC1 277056833 QUYPSFBNXMXJNA-UHFFFAOYSA-N 289.806 3.850 30 20 CHED C=CCC1(CNC(=O)N2CCC[C@@H]2C(F)F)CCCC1 455456950 BJAHEXMADSMALY-GFCCVEGCSA-N 286.366 3.562 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)Cc1ccc(F)c(F)c1 277503170 BJFPGUNNIHUTTQ-HXUWFJFHSA-N 299.386 3.934 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@H](C(C)(C)C)C2)c1 544410912 GCBUNVJKCUJAQR-HNNXBMFYSA-N 270.376 3.633 30 20 CHED C=C(C)COCCN[C@H](C)C(C)(C)c1ccccc1 540164461 WCNHQBFBOHUBQF-OAHLLOKOSA-N 261.409 3.535 30 20 CHED Cc1nc(C[S@@](=O)CCCCC(C)(C)C#N)sc1C 277768890 FYPIHDHQFZDPGB-IBGZPJMESA-N 298.477 3.729 30 20 CHED C[C@H](C#N)C(=O)N(Cc1ccccc1F)C1CCCCC1 469137375 JJQGUOIDXLNSGU-CYBMUJFWSA-N 288.366 3.647 30 20 CHED CC(C)(C#N)CC(=O)NCC(C)(C)c1cccc(Cl)c1 278317338 VCZCRMAVUFKPCD-UHFFFAOYSA-N 292.810 3.674 30 20 CHED CC(C)(NCCOc1ccccc1C#N)c1cccs1 541645282 YHLOXLUNUUNIEL-UHFFFAOYSA-N 286.400 3.523 30 20 CHED C=CCN(C(=O)c1ccc(OC(C)(C)C)cn1)C(C)(C)C 622945402 CIETUCYYGLNSPH-UHFFFAOYSA-N 290.407 3.686 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)[C@@H](C)c1cccc(C#N)c1 462116609 JBEWSAKLHPQIMR-KBPBESRZSA-N 286.419 3.993 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 557430582 BNVOJZTXCOVUTG-RTBURBONSA-N 298.430 3.897 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(F)c(NC(=O)NC)c1 287603303 SEEWKWAIIUGHAO-LLVKDONJSA-N 279.359 3.734 30 20 CHED C=CCC(C)(C)CNC1CCC(C)(C(=O)OCC)CC1 559876496 HKXWZULMUTWLNI-UHFFFAOYSA-N 281.440 3.690 30 20 CHED Cc1cc([C@H](NC[C@@H](C#N)CCC#N)C2CC2)ccc1F 553284226 OKYHHLPFTZWOKG-CXAGYDPISA-N 285.366 3.618 30 20 CHED CN(CCCCC(C)(C)C#N)CC1(O)CCCCCC1 373113018 REJIIMMUAAYOEF-UHFFFAOYSA-N 280.456 3.724 30 20 CHED C=C[C@H](C)NC(=O)CCCSc1ccc(Cl)cc1 465115928 QHFUJURXURPNJQ-NSHDSACASA-N 283.824 3.903 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/CCc2cc(O)ccc2C1=O 280989653 MMZPBTSISCTSTG-ZSOIEALJSA-N 296.370 3.691 30 20 CHED C=CC[C@H](CC)NC(=O)N(CCCCC)C(C)C 466325826 NDNZPFOOMXTMHH-AWEZNQCLSA-N 254.418 3.951 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1ccc(OC)cc1 281030494 HWCNYPDTJLHUGH-UKRRQHHQSA-N 275.392 3.660 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C)[C@H]1CC 460548238 YNPFZXILDGEDOY-QLFBSQMISA-N 290.455 3.993 30 20 CHED CCOc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 461741657 FYPIDZVSPZTMHT-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3cc(C)nc(C#N)c3)C2)cc1 557673100 CRHZUAYVMHIMOT-WBVHZDCISA-N 291.398 3.953 30 20 CHED Cc1cccc2cc(C(=O)N[C@](C)(C#N)C(C)C)sc12 288373551 IAWZRJYGMCCXEH-MRXNPFEDSA-N 286.400 3.878 30 20 CHED C=C(C)CN(C)C(=O)C1(Cc2ccc(Cl)cc2)CC1 479208705 AELBUWLFESLROQ-UHFFFAOYSA-N 277.795 3.697 30 20 CHED N#CC1(C(=O)N2Cc3cccc(Cl)c3C2)CCCCC1 290362054 GPEFWCZQWPXWQX-UHFFFAOYSA-N 288.778 3.656 30 20 CHED CCc1cccc(NC(=O)c2ccc(C#N)cc2F)c1 1335316978 ICDRLDRMGXBCPJ-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C#C[C@H](NCc1c[nH]nc1-c1ccc(C)cc1)C(C)(C)C 809780986 DMNORVUUJHGURE-INIZCTEOSA-N 281.403 3.523 30 20 CHED C[C@H](C#N)OCCSCc1cc(-c2ccccc2)on1 802749556 GSZFUERTWVSKSN-GFCCVEGCSA-N 288.372 3.503 30 20 CHED Cc1ccccc1-n1nccc1CNc1ccc(C#N)cc1 479781463 ZWLTZXBKINJMSA-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 294827402 QUJMUMJFJYHOKW-GJZGRUSLSA-N 261.409 3.792 30 20 CHED C#Cc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 809640166 BNEWCQHSSZXIME-UHFFFAOYSA-N 294.354 3.601 30 20 CHED C=C(C)[C@@H](NC(=O)NCC1(C)CC1)c1ccc(F)c(F)c1 477055553 GQMHKYTWUOXCHI-CQSZACIVSA-N 294.345 3.681 30 20 CHED CC[C@@](C)(OC)c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 290553647 SSQYTDCLRBLLCF-QGZVFWFLSA-N 299.374 3.809 30 20 CHED CC(C)c1cnc(S[C@H](C#N)c2ccccc2)n1C 568270806 SNJIGOXWORWTLG-CQSZACIVSA-N 271.389 3.900 30 20 CHED Cc1ccc(C#N)cc1OCc1ccc(Cl)cc1C#N 478930775 VHIUKFKCBUBOHO-UHFFFAOYSA-N 282.730 3.971 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)[C@H]1CCCOC1 806498976 JBJVFPKMIKZUOM-CVEARBPZSA-N 298.471 3.803 30 20 CHED C=CCCCC(=O)N(C)[C@@H](C)c1c(F)cccc1F 479523519 QEEBSKYSYVXMBX-NSHDSACASA-N 267.319 3.841 30 20 CHED COc1cccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)c1 299455056 XRTTZHJYIFGIEE-AWEZNQCLSA-N 280.371 3.760 30 20 CHED CCCC[C@H](C)C(C)=NNc1ccc(C(=O)O)cc1 807939936 QUSNAQULWJFNTA-NSHDSACASA-N 262.353 3.999 30 20 CHED C=CCCC(=O)NCCc1cccc(-c2ccccc2)c1 472210331 WKSHTKWOEXKYDQ-UHFFFAOYSA-N 279.383 3.979 30 20 CHED CCOc1cc(NC(=O)Nc2cccc(C#N)c2)ccc1C 567598906 VYLRPFYMHUKCGC-UHFFFAOYSA-N 295.342 3.909 30 20 CHED N#CCCCCCC(=O)Oc1cccc(Cl)c1 805847179 LJWOCXUFLRQKSN-UHFFFAOYSA-N 251.713 3.719 30 20 CHED C=CCCCCCCCCNC(=O)[C@H]1CCCS1 805278070 QYZXLNLGBXQINK-CQSZACIVSA-N 269.454 3.915 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OCc2ccc(F)cc2)c1 803833708 BVIPFBDOOKMAIT-UHFFFAOYSA-N 289.693 3.708 30 20 CHED N#Cc1cncc(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 561454274 FXRGAICTZDCCDU-OCCSQVGLSA-N 298.777 3.750 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1sc(C)nc1CC(C)C 806349370 GZQBUKVMQSCLTI-GFCCVEGCSA-N 293.436 3.573 30 20 CHED CCCOc1ccc(C=NOC2CCC2)cc1OCC 812236893 YZQRMYSFZGIHLQ-UHFFFAOYSA-N 277.364 3.777 30 20 CHED CCc1nocc1C=NNc1nc2ccccc2cc1C 814896381 VVPUKBOPEWUBQD-UHFFFAOYSA-N 280.331 3.540 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 814183261 HQBCFRQQSKDNAO-WBFZOWASSA-N 299.345 3.905 30 20 CHED Cc1ccc(NN=C2CCC[C@@H]2C(C)(C)C#N)nc1 814831673 MJHQLAVDJOGLLG-LBPRGKRZSA-N 256.353 3.508 30 20 CHED Fc1cc(F)cc(C2CC(=NOCC3CC3)C2)c1 814941424 WLXMBWOXINAVRC-UHFFFAOYSA-N 251.276 3.625 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 815411393 OYOCWGUCLGGJFR-NWDGAFQWSA-N 259.340 3.529 30 20 CHED Cc1nc(N(C)Cc2ccc(Cl)c(F)c2)ccc1C#N 488104755 UPFSYBCHHVCIPZ-UHFFFAOYSA-N 289.741 3.691 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cn1)c1ccco1 814711391 IASVSQSPMKAIJJ-UHFFFAOYSA-N 283.253 3.920 30 20 CHED c1ccc(C2CC(=NNc3nc4ccccc4[nH]3)C2)cc1 814709262 WUOFLFQXFVIQLP-UHFFFAOYSA-N 276.343 3.908 30 20 CHED C=CCC1(CNC(=O)c2ccc(C(F)F)nc2)CCCC1 653866515 YMPZTIZPVKJERM-UHFFFAOYSA-N 294.345 3.886 30 20 CHED C=CCCCCCCNC(=O)C1(F)CCCCC1 810729958 UGYCGFWIVNFFEM-UHFFFAOYSA-N 255.377 3.912 30 20 CHED CC(=NN[C@@H](C)COc1ccccc1)C1CCCC1 811664489 FHHKFCGHZBDHPG-ZDUSSCGKSA-N 260.381 3.610 30 20 CHED CC(C)(CCC#N)CNC[C@H](O)c1cccc2ccccc12 819312488 UDQAWGNHZPUVMP-SFHVURJKSA-N 296.414 3.793 30 20 CHED N#Cc1[nH]c(=NC[C@H]2CCCCC(F)(F)C2)ccc1Cl 488486449 XRQGJJBESQYKCS-JTQLQIEISA-N 299.752 3.656 30 20 CHED CC(=NNc1ccccc1F)c1ccc(Cl)c(N)c1 814789286 DMLYWRLRJQWDHN-UHFFFAOYSA-N 277.730 3.897 30 20 CHED C#C[C@@H](NC(=O)c1c(C)nc2ccccc2c1C)C(C)(C)C 813774302 AMFRISZGWOBNRP-MRXNPFEDSA-N 294.398 3.629 30 20 CHED COc1ccc(C(CCC(C)C)=NNC[C@@H](C)C#N)cc1 814880982 HPWLKQHCRQNGOS-AWEZNQCLSA-N 287.407 3.585 30 20 CHED Cc1cnccc1SCc1ccc(OCC#N)cc1 814805046 PEARQEJGOBCEAR-UHFFFAOYSA-N 270.357 3.585 30 20 CHED CC(C)CC1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 811817890 CCNPQROQTDFQLL-UHFFFAOYSA-N 287.363 3.729 30 20 CHED COc1ccc(C(C)=NOCC(F)(F)F)c(Cl)c1 819809451 SQOUEDSEVRVGCF-UHFFFAOYSA-N 281.661 3.652 30 20 CHED C=CCOc1ccc(CNC(=O)c2cc(C)ccc2C)cc1 577307111 FVZWJGUQQYSAKQ-UHFFFAOYSA-N 295.382 3.798 30 20 CHED Cc1ccc([C@@H](NC(=O)c2ccc(C#N)s2)C2CC2)cc1 486642477 AJWUHBVHXWTITI-MRXNPFEDSA-N 296.395 3.809 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)c(OC(C)C)c1 489557887 AFOPMAXYTLVYRB-ZDUSSCGKSA-N 276.380 3.868 30 20 CHED C=CCCC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 489674003 YCQYMINWPFOUSQ-CVEARBPZSA-N 257.377 3.795 30 20 CHED CC(C)c1ccc(CNC(=O)c2cccc(F)c2C#N)cc1 487695605 WBHLHBMYZRTDIV-UHFFFAOYSA-N 296.345 3.751 30 20 CHED CCC(CC)C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 726366332 XFALHESJELKNML-AWEZNQCLSA-N 296.370 3.804 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 822764705 QHIWGVPAZKBJRH-QWHCGFSZSA-N 289.375 3.504 30 20 CHED c1nc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c2ccsc2n1 725819442 NKNAACANZWTJOU-DCQANWLSSA-N 298.415 3.915 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(CCC#N)CC(C)C 822809156 QCHBYXMYJWYXEC-LSDHHAIUSA-N 264.413 3.601 30 20 CHED C=CCC(C)(C)c1noc(-c2ncnc3ccsc23)n1 664890523 GVCSGLQTGXLSLJ-UHFFFAOYSA-N 286.360 3.595 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C)cc1Cl 490103207 ZWNTWLPNPMBIKM-UHFFFAOYSA-N 274.751 3.888 30 20 CHED C#CCNC(=O)[C@@H](C)S[C@H](CC)c1ccc(Cl)cc1 726796502 CEYIIYHYRIWFCH-BXUZGUMPSA-N 295.835 3.662 30 20 CHED C=CCCC(=O)Nc1ccc(N2CCCCCC2)cc1 726523422 RHCNPUVXXFKBSE-UHFFFAOYSA-N 272.392 3.972 30 20 CHED C=C(C)CCc1noc(-c2cccc(OC)c2C)n1 664874890 AXHPOACWTPGCJR-UHFFFAOYSA-N 258.321 3.562 30 20 CHED C[C@@]1(CCNCc2ccc(C#N)s2)CC1(Cl)Cl 824971006 NKWWLSGLBGMLGM-LLVKDONJSA-N 289.231 3.683 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc2c(c1)N(C)C(=O)CO2 823937903 NCLVLCGXSJXIHQ-CYBMUJFWSA-N 288.391 3.589 30 20 CHED C#C[C@H](N[C@H](C)c1ccccn1)c1ccc(Cl)cc1F 491768657 ISVSHQUGBQJFHK-ABAIWWIYSA-N 288.753 3.899 30 20 CHED CC1(C)CC(=NNc2ccc(Cl)nn2)c2ccoc2C1 731486250 RQILEWWAAFAWAY-UHFFFAOYSA-N 290.754 3.512 30 20 CHED N#C[C@H](C(=O)C1CCCC1)c1nc2cc(F)ccc2s1 730421775 PJRNGIRLNQYBMC-LLVKDONJSA-N 288.347 3.802 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)NCC1(C#N)CCC1 903032384 RTZMAJBWQGAWGY-NSHDSACASA-N 277.437 3.919 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(N2CCCCC2)cc1 903102146 SSOHQZVBMSQSJR-OAHLLOKOSA-N 283.419 3.631 30 20 CHED CC(=NNc1cccnn1)c1ccc(C(C)(C)C)cc1 735977208 VKODQTAHOOGUKF-UHFFFAOYSA-N 268.364 3.610 30 20 CHED CCSc1cccc(/C=C/C(=O)c2cc3n(n2)CCC3)c1 901561651 VDZOBRDERLNXIT-CMDGGOBGSA-N 298.411 3.837 30 20 CHED C[C@@]1(CC(=O)OCc2ccccc2C#N)CC1(Cl)Cl 835119732 UEHWIQRAHVYXDY-CYBMUJFWSA-N 298.169 3.575 30 20 CHED C#CCCCCCOC(=O)C[C@]1(C)CC1(Cl)Cl 835276806 FTVWCZTVNXPSCQ-GFCCVEGCSA-N 277.191 3.697 30 20 CHED C=CCC[C@@H](C)OC(=O)c1cc2ccncc2s1 835269090 VTHQRLYKFUANQH-SNVBAGLBSA-N 261.346 3.808 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1cncs1 734744264 JBACWMNFWJOXCO-UHFFFAOYSA-N 285.294 3.998 30 20 CHED CCOc1cc(F)ccc1NC(=O)CCCCCC#N 588751229 JLXZCJMBYSRNNG-UHFFFAOYSA-N 278.327 3.637 30 20 CHED CCC[C@H](OC)c1noc(-c2ccc(C#N)c(Cl)c2)n1 584035632 TUQKMZDUOIXGPJ-LBPRGKRZSA-N 291.738 3.749 30 20 CHED N#Cc1cc(C(=O)NC2(C(F)F)CCCC2)ccc1Cl 589117158 GRWKWAXQVXFPJS-UHFFFAOYSA-N 298.720 3.519 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1-c1n[nH]c(CC)n1 901211456 CNOIQEKPEHVJOZ-UHFFFAOYSA-N 298.390 3.575 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccc(OC(F)F)cc1 731318246 JTNRKXJNGQLPEE-UHFFFAOYSA-N 295.264 3.658 30 20 CHED C=CCC(F)(F)C(=O)N1c2ccccc2CC[C@H]1C 839220442 JBPQGXOPETVPCW-LLVKDONJSA-N 265.303 3.566 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1cnc2ccc(C)cc2c1 836106766 RSYRZYXZDMUVHI-AWEZNQCLSA-N 299.370 3.568 30 20 CHED C=CC[C@H](NC(=O)c1cc(C)ccc1C)c1ccncc1 734457773 OOMZTIQWHUCKIQ-KRWDZBQOSA-N 280.371 3.746 30 20 CHED C=CCC[C@H](NCC1(CO)CCCCC1)c1ccco1 671752973 JZUKLIWLZBIFIT-HNNXBMFYSA-N 277.408 3.819 30 20 CHED C#CCC[C@H](C)OC(=O)C[C@@H](C)c1cccc(OC)c1 839037725 TZQSGCKANNTIES-KGLIPLIRSA-N 274.360 3.534 30 20 CHED C#CCC[C@H](C)OC(=O)c1sc(C)cc1OC(F)F 839039469 PYIAODSQWVBMKP-QMMMGPOBSA-N 288.315 3.617 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(SC(F)F)c1 837391775 QUKPPFXNSOBUHQ-UHFFFAOYSA-N 283.343 3.989 30 20 CHED N#Cc1cccc(-c2ccc(C[C@H](O)C3CC3)cc2)c1 592989776 YZYQNKGXGYSSJY-SFHVURJKSA-N 263.340 3.539 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(Cl)c(C#N)c2)C1 598299267 IKVLOLNOJATXND-VXGBXAGGSA-N 290.794 3.862 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)[C@@H](C#N)c2ccccn2)C1(C)C 838785842 XMQUXCGWEQMPOO-DCGLDWPTSA-N 270.376 3.720 30 20 CHED N#CCN(C(=O)[C@@H]1CC12CCCC2)c1ccc(Cl)cc1 592650919 PKCKDFOYLASEJH-AWEZNQCLSA-N 288.778 3.777 30 20 CHED CC1(C)[C@H]2CC[C@@H](NC(=O)Nc3cccc(CC#N)c3)[C@H]1C2 592262633 OZAZYKFFQVQXCH-NUEKZKHPSA-N 297.402 3.699 30 20 CHED CCN(Cc1ccc2c(c1)OCO2)[C@H](C#N)c1ccccc1 595299677 YHBGWXQLLVQQOT-MRXNPFEDSA-N 294.354 3.502 30 20 CHED Cc1ccc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 917559274 JGIFLRVOAQAIGK-YXHQGMJNSA-N 284.315 3.789 30 20 CHED Clc1ccc(CNN=Cc2ccccn2)c(Cl)c1 914696721 JXIQEBHTOXWXCX-UHFFFAOYSA-N 280.158 3.512 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H](C)[C@H]1CCOC1 743652424 VBIXZBNYFVKTKO-CVEARBPZSA-N 298.471 3.803 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccc(-c2ccc(Cl)s2)nn1 848415390 TUHIHSWCNKMUIB-RKDXNWHRSA-N 292.795 3.912 30 20 CHED Cc1cc(NN=Cc2cccc3ccccc23)nc(C)n1 915970395 BIMTVALRIKILAA-UHFFFAOYSA-N 276.343 3.693 30 20 CHED COc1cccc(NC(=S)NN=C2CCCC2(C)C)c1 749859068 QIHQQSNNFOBZHL-UHFFFAOYSA-N 291.420 3.548 30 20 CHED C=CCCCC(=O)NCC1(c2ccccc2F)CCC1 844651985 AHLKDFOXIJSPEM-UHFFFAOYSA-N 275.367 3.720 30 20 CHED CCOc1cccc(/C=N/CCOc2ccccc2C)c1O 917558548 XFTBVTKRPCIXQL-CPNJWEJPSA-N 299.370 3.597 30 20 CHED CC[C@@H]1C[C@H]1CN[C@H]1CCCc2cc(C#N)ccc21 590779391 JPZNAUCVTGNEDT-KMFMINBZSA-N 254.377 3.571 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)oc1C 676053623 XWRWGHUDWDTWRI-AWEZNQCLSA-N 290.322 3.935 30 20 CHED Cc1cc(C)nc(NN=C2CCc3cc(Cl)ccc32)n1 743418695 GYZJRSFEHQGLMI-UHFFFAOYSA-N 286.766 3.509 30 20 CHED N#Cc1ccc(NC(=O)C2CC3(CC3)C2)cc1C(F)(F)F 598813213 BGPAGFOXCVUMRJ-UHFFFAOYSA-N 294.276 3.706 30 20 CHED COc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1C#N 742379368 WPEJTTZJBQHWGL-ZMSDIMECSA-N 284.403 3.625 30 20 CHED C=CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 746047904 SSHXEWXMTVIIFP-DYVFJYSZSA-N 297.358 3.958 30 20 CHED COc1ccc([C@H](C)CSCC2(C#N)CC2)cc1 596378040 BOLYEDNEFZCMKW-GFCCVEGCSA-N 261.390 3.836 30 20 CHED C=CCN(C(=O)CSCc1ccc(Cl)cc1)C(C)C 914682771 GLZTWTGMJCKAPR-UHFFFAOYSA-N 297.851 3.996 30 20 CHED C=CCCCC(=O)Oc1ccc(Br)cc1F 748664878 RSIUTKCLXVMGIS-UHFFFAOYSA-N 287.128 3.850 30 20 CHED N#Cc1csc(/C=C2\CCc3cc(C#N)ccc3C2=O)c1 748440897 SIRQKJBSTATDQB-VGOFMYFVSA-N 290.347 3.704 30 20 CHED COCCCOc1cccc(C=NNc2ccccc2)c1 746485319 UMDAIJBTEBNCQY-UHFFFAOYSA-N 284.359 3.548 30 20 CHED Cc1cccnc1[C@@H](N[C@@H](C#N)c1ccccc1)C(C)C 595370992 MRGHOHLYUNAFFK-IRXDYDNUSA-N 279.387 3.942 30 20 CHED COc1cccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1O 846145162 OYJQBDQNVZQADQ-QWHCGFSZSA-N 296.370 3.684 30 20 CHED C#CCCCC(=O)Nc1ccc(OCCC(C)C)cc1F 847256242 GFWUDRAUSHXEQE-UHFFFAOYSA-N 291.366 3.993 30 20 CHED C=C(C)CONC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 846533857 GHLXLEYAPMPNMI-HZPDHXFCSA-N 273.376 3.584 30 20 CHED CC(=NOCc1cccnc1)c1cc(C)ccc1C 746585793 LEDVMXBQUZIWSJ-UHFFFAOYSA-N 254.333 3.639 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cncs1 917873069 UZOGKZKTVFEKPN-GFCCVEGCSA-N 268.426 3.870 30 20 CHED C#CCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 840311892 QARGTXBEBMVAQR-ZWKOTPCHSA-N 298.430 3.768 30 20 CHED Cc1cc(F)c(C=NNCCC(F)(F)F)c(Cl)c1 841637421 VVYWOKAVABTHQZ-UHFFFAOYSA-N 282.668 3.663 30 20 CHED CCCCCCCCC(=O)N=[S@](C)(=O)C(C)C 926072405 XDSPERZHJJTZKV-QGZVFWFLSA-N 261.431 3.770 30 20 CHED N#CC1(CNC(=O)c2ccc(-c3ccccc3)cc2)CCC1 841472594 KFKHRRDHEFPJKW-UHFFFAOYSA-N 290.366 3.777 30 20 CHED C=C(C)CON=C(C)[C@H](C)c1ccc(OC)c(OC)c1 844618272 NSMKDRQDUVSDMU-LBPRGKRZSA-N 277.364 3.776 30 20 CHED C#C[C@@H](OC(=O)c1csc(C(C)C)n1)c1ccccc1 842390012 VCBKNAVODVUHAC-CQSZACIVSA-N 285.368 3.798 30 20 CHED C[C@H](CO)N(C)N=C1CCC[C@H](c2cccc(Cl)c2)C1 842537654 DKLBPUIXXDTBIX-OCCSQVGLSA-N 294.826 3.666 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1c[nH]c2ccccc12 759350701 BLCUMJLNZDCCSA-UHFFFAOYSA-N 294.285 3.536 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1cc(Cl)ccc1Cl 753711084 HGHZPGUTUWADES-ZZXKWVIFSA-N 295.169 3.931 30 20 CHED COc1cccc(C[C@H](C)CC(=O)OCCCCC#N)c1 924303650 UWGIPIRUQZONCR-AWEZNQCLSA-N 289.375 3.501 30 20 CHED CC(C)C[C@@H](C)OC(=O)/C=C/c1ccccc1C#N 920127674 AUWXOYFTFUBYPD-MMQHEFTJSA-N 257.333 3.549 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc(O)cc1 750899001 BQXMUSZRIODAQC-WEVVVXLNSA-N 256.276 3.736 30 20 CHED CC(=NN(C)C[C@@H](C)O)[C@@H](C)c1ccc(CC(C)C)cc1 853357685 XVSYXUTVGGDKPO-HUUCEWRRSA-N 290.451 3.677 30 20 CHED C#CC[C@@H](NC(=O)NC(C)(C)CCC)c1ccccc1 757768731 OPTWCHAXQJQTQW-OAHLLOKOSA-N 272.392 3.629 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cc(-c2ccccc2)on1 856374083 MAYARFJBJDRAHZ-UHFFFAOYSA-N 298.386 3.745 30 20 CHED CCCCCCCCOCC(=O)N1CC[C@H](CC)C1 755488724 YRBZPTICFSZDBU-HNNXBMFYSA-N 269.429 3.622 30 20 CHED Cn1c(NN=Cc2cccc3[nH]ccc23)nc2ccccc21 755648807 PZQWMOQTPVFQBW-UHFFFAOYSA-N 289.342 3.501 30 20 CHED C(=NN[C@H]1CCCOC1)c1ccc(-c2cccs2)cc1 853336095 OIVIUCQDCAFZGM-HNNXBMFYSA-N 286.400 3.518 30 20 CHED Cc1ncoc1-c1ccc(NC(=O)C2(C#N)CC(C)C2)cc1 928817344 LGFZRRNRCDTLQR-UHFFFAOYSA-N 295.342 3.528 30 20 CHED COc1ccc(Oc2ccc(C=NNC3CC3)cc2)cc1 758132355 AKKRUZJBUSMXAI-UHFFFAOYSA-N 282.343 3.573 30 20 CHED N#CC1(CC(=O)Oc2c(F)cccc2F)CCCCC1 857571050 SJZFKUNNBSIABU-UHFFFAOYSA-N 279.286 3.734 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@H]1C 853396901 SIUFIAJBSDAMFH-PSASIEDQSA-N 265.288 3.568 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CC(=NOCC(F)F)CC3 758899653 KRCPKHITADMPNW-UHFFFAOYSA-N 278.302 3.603 30 20 CHED C#CCCOc1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 758457798 CKMNHMBZKHGJLQ-UHFFFAOYSA-N 297.745 3.680 30 20 CHED CC(=NNc1ccc(F)cc1)c1cc(F)cc(F)c1O 757450642 IMEHGPYGWPUPFA-UHFFFAOYSA-N 280.249 3.646 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ccccc1Br 758374697 VMYQLVDTNUBXME-DTWKUNHWSA-N 253.143 3.503 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3ccc(Cl)cc32)C1 858582985 VPHBGCJMOLMWBG-XFJVYGCCSA-N 274.795 3.999 30 20 CHED Cc1ccccc1-c1noc(CON=Cc2cccs2)n1 852110110 MMGNATXIYNNYET-UHFFFAOYSA-N 299.355 3.657 30 20 CHED CCN(C(=O)/C(C)=C/c1cccc(Cl)c1)[C@@H](C)C#N 856076034 VJQBMDPHGJSIKB-OBIHZWKSSA-N 276.767 3.504 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccccc1 757768154 MJIAPJOBAZDKFO-SZMVWBNQSA-N 298.430 3.971 30 20 CHED C#CCN[C@H](c1ccc(F)cc1)c1ccccc1Cl 754300699 XCSHJRXIEOFFEM-MRXNPFEDSA-N 273.738 3.791 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@H](C)c3ccccc32)nc1 754610186 UDOYHXORKLHVPP-AWEZNQCLSA-N 290.366 3.607 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccccc1OC)c1ccccc1 756921980 MVAYFCBMCQWLQS-OAHLLOKOSA-N 294.354 3.581 30 20 CHED C=CCN(CCC(=O)Nc1ccc(Cl)cc1)C(C)C 759337988 LTKWBIMZNDOSRV-UHFFFAOYSA-N 280.799 3.565 30 20 CHED CC[C@@H](CC#N)OC(=O)Cc1cc(Cl)cc(Cl)c1 860694273 DWBRZGCTEDZDMJ-LBPRGKRZSA-N 286.158 3.771 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(F)c(C)cc1F 860815506 BGOOXLDXPJVIGH-UHFFFAOYSA-N 281.302 3.646 30 20 CHED C=C1CCN(Cc2c(C)nn(CCCC)c2Cl)CC1 769338011 JXIZZAZFPINEQJ-UHFFFAOYSA-N 281.831 3.797 30 20 CHED CCCC[C@H](CC)CC(=O)OCC1(C#N)CCC1 768095895 DTXLHSLUVDUJLD-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED C=CCCC(=O)COC(=O)c1[nH]c2ccccc2c1Cl 761383769 HGULJDUZXZJITG-UHFFFAOYSA-N 291.734 3.513 30 20 CHED CC(=NNc1nc2ccccc2[nH]c1=S)C1CCC1 863128160 GVKFTGVJOHZYJH-UHFFFAOYSA-N 272.377 3.880 30 20 CHED C#CCCCOC(=O)C1(c2cccs2)CCCCC1 766899705 UMVKHIZNNZRGAR-UHFFFAOYSA-N 276.401 3.907 30 20 CHED C=CC[C@H]1CCCN(Cc2nc(C)sc2C)C1 1350388740 YCGGHLIVSNZJFI-ZDUSSCGKSA-N 250.411 3.548 30 20 CHED C=CCC[C@@H](CC)NC[C@@](C)(O)c1ccccc1Cl 765673965 CERSGUXXMWVDMN-CZUORRHYSA-N 281.827 3.882 30 20 CHED C#CCN(C(=O)C[C@@H]1CCC[C@@H]1C)C1CCCCC1 769435018 JTTZTFMZLXDJIQ-GJZGRUSLSA-N 261.409 3.607 30 20 CHED C=CC[C@@H](NC(=O)NCC1(CCC)CC1)c1ccncc1 760171591 UNYHZOYDNJUTPN-OAHLLOKOSA-N 287.407 3.578 30 20 CHED Clc1ccc(NN=CC[C@@H]2CCOC2)cc1Cl 765573215 SYYWUPSOLMIDBK-SECBINFHSA-N 273.163 3.818 30 20 CHED CC(CCC1CC1)=NNc1cc(C#N)cc(Cl)n1 768783377 DYSNKWNASISMPF-UHFFFAOYSA-N 262.744 3.585 30 20 CHED N#CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 865931855 KLNUXELIKIYGBK-JTQLQIEISA-N 295.289 3.662 30 20 CHED C=C(C)CCOC(=O)[C@@H](CC)c1ccc(F)cc1 764779379 PHDPVXVGGJVEBC-AWEZNQCLSA-N 250.313 3.829 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc(Cl)cs1 760516370 IUOLQLFHHYAKCR-UHFFFAOYSA-N 291.759 3.666 30 20 CHED C[C@H](C=NNc1ccc(C#N)c(C(F)(F)F)c1)CCC#N 766013299 MXGJGOFOEHGSBK-JTQLQIEISA-N 294.280 3.915 30 20 CHED N#CCCN1CCC(c2ccc(Br)cc2)CC1 57606971 JHRDBXCIPDVQOO-UHFFFAOYSA-N 293.208 3.542 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 1117819721 UBLJMJSLGOEDFE-MRXNPFEDSA-N 293.769 3.850 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc2c(c1)COC2 777901262 BOYGCDOIYSIQER-UHFFFAOYSA-N 295.338 3.566 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)cc1 878901342 AQAQOKKLYMILPP-WDZFZDKYSA-N 299.333 3.640 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc3oc(C)c(C)c3c2)nc1 773883815 DVLUAPXWPFNIBT-UHFFFAOYSA-N 290.322 3.678 30 20 CHED C[C@H]1CC/C(=C\C(=O)OCc2ccc(CC#N)cc2)C1 776113740 SGIXONIDONFXHJ-XDUBLRSXSA-N 269.344 3.542 30 20 CHED CCOCCON=C(CC1CCC1)c1ccccc1 774440178 WRUQZNNTCLZOFR-UHFFFAOYSA-N 261.365 3.634 30 20 CHED CCCCCCCCOC(=O)c1cccc([S@](C)=O)c1 770601612 FXJUEPRYRMQHDK-FQEVSTJZSA-N 296.432 3.941 30 20 CHED Cc1cc(C=NOCCC(F)(F)F)ccc1Cl 777461441 XPUVMKKWEZIENH-UHFFFAOYSA-N 265.662 3.951 30 20 CHED C#CC[C@H](N[C@H](COC)Cc1ccccc1)c1ccccc1 773115140 LSCDBRSPRXHWQG-PMACEKPBSA-N 293.410 3.598 30 20 CHED N#CCCn1cc(C=NOC2CCCC2)c2ccccc21 774596435 DXHWGJPRRHODLW-UHFFFAOYSA-N 281.359 3.848 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)OCC1(C#N)CC1 775859796 QLYGLUKGPPOBPE-CQSZACIVSA-N 263.381 3.830 30 20 CHED C(=NOC1CCCCC1)c1ccn(-c2ccccc2)n1 777459334 OAIGVXNQCVSYBI-UHFFFAOYSA-N 269.348 3.556 30 20 CHED CCCCC[C@H](C(=O)N(C)[C@@H](C)CC#N)C(C)C 1121281286 SERNKCZRXRRUEE-KBPBESRZSA-N 252.402 3.599 30 20 CHED C[C@@H](CC(=O)OCCC(C)(C)C#N)c1ccccc1 776356272 YXMNKKRLRCTSTN-ZDUSSCGKSA-N 259.349 3.663 30 20 CHED C[C@H](C(=O)O[C@H](C#N)C1CCCCC1)c1ccsc1 776385801 HHQHNAWSWLQSDN-SMDDNHRTSA-N 277.389 3.867 30 20 CHED C#CCCCCCC(=O)NC1(c2ccc(F)cc2)CCC1 779869242 JXFMTATTWKDTAT-UHFFFAOYSA-N 287.378 3.905 30 20 CHED COc1ccc(CS[C@H](C)CCC#N)c(OC)c1 882307497 RGWXSMQMMQGPRM-LLVKDONJSA-N 265.378 3.629 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 780247913 VVSGOJOJWMSZBX-AWEZNQCLSA-N 280.799 3.611 30 20 CHED CC(=NNc1cccnn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788427823 HPMGIEJXXPDGEJ-VHSXEESVSA-N 292.795 3.783 30 20 CHED C=CCC(=NNc1ccc(OC)cn1)c1ccc(F)cc1 780275323 UHDIANPRWJYJHB-UHFFFAOYSA-N 285.322 3.622 30 20 CHED C=CCCCCCOC(=O)c1cccc(Br)n1 784445134 ANLVYPSMFIRKRS-UHFFFAOYSA-N 298.180 3.747 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2ccccc2c1 786049750 JSGOWXXXQCPXPS-UHFFFAOYSA-N 254.333 3.880 30 20 CHED Oc1ccccc1/C=N\C[C@@H]1CCCN(c2ccccc2)C1 788320514 OHTDMBUKJLIUJF-IEOAWGNMSA-N 294.398 3.728 30 20 CHED C[C@@H]1Cc2cc(N[C@@H]3CCC[C@@H](C#N)C3)ccc2O1 897114398 MCOKPKZXAPREEG-YRGRVCCFSA-N 256.349 3.504 30 20 CHED C#CCCN1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 789556881 VIQRXZDWTUORKV-KRWDZBQOSA-N 297.377 3.766 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 783307333 CGUCDEVMIQZFCA-QLFBSQMISA-N 296.455 3.576 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 780276735 LIQONGGBLORUDK-STQMWFEESA-N 289.341 3.760 30 20 CHED N#Cc1cccc(Br)c1NCc1ccco1 1472639527 BTTHIYOWPQGIMR-UHFFFAOYSA-N 277.121 3.526 30 20 CHED COc1ccc(/C=C2\CCc3scnc3C2=O)c(C)c1 899387956 WQIPJQASQIZTPN-XYOKQWHBSA-N 285.368 3.673 30 20 CHED CC(C)=CCC[C@@H](C)CC=NOC[C@H]1CCOC1 788036749 MNZCDEKLCGUMTL-CABCVRRESA-N 253.386 3.798 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccnc(Oc2ccccc2)c1 787092018 KTISXUUSEPPIIY-CQSZACIVSA-N 296.326 3.723 30 20 CHED Cc1cccc([C@H](C)C(=O)OCCCC(C)(C)C#N)c1 783760185 HLDLTRIIKBUCOC-AWEZNQCLSA-N 273.376 3.972 30 20 CHED Cc1ccc(C/N=C(\O)c2cc3ccccc3c(=O)o2)cc1 204758 MYOAVSWMFPHUKJ-UHFFFAOYSA-N 293.322 3.606 30 20 CHED COc1ccsc1CNc1cc(C)cc(C#N)c1 1202805987 WXENZKVMRPTNJU-UHFFFAOYSA-N 258.346 3.549 30 20 CHED CC(C)c1cccc2c1OCCCC2=NNc1nccn1C 790303046 PTBHNRZCMUZMTF-UHFFFAOYSA-N 298.390 3.532 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc(Br)c2)C1 185722857 IXNIQLVPGRVQPN-ZYHUDNBSSA-N 279.181 3.943 30 20 CHED C=CC[C@H](NCc1cccc2c1NCCC2)c1ccncc1 894272507 CKHASFWIGQSOKC-SFHVURJKSA-N 293.414 3.847 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(Cl)cc1C#N 702335232 LACIJKLPLDLAQN-SECBINFHSA-N 250.729 3.586 30 20 CHED CCOc1ccccc1N(C)C(=O)c1ccc(C)c(C#N)c1 799354726 LLHXOOZHRPQGJV-UHFFFAOYSA-N 294.354 3.542 30 20 CHED Cc1cccc(C)c1COC(=O)c1ccc(F)c(C#N)c1 792324532 UDKSGPWPEPBEBF-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2cc(C)c(C)o2)cc1 799897995 UXECXOSBIADRAE-TWGQIWQCSA-N 283.327 3.751 30 20 CHED C=CCCSCCNC(=O)c1cc(Cl)ccc1F 597974884 WDJSLHCMSBXQOS-UHFFFAOYSA-N 287.787 3.518 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@](C)(OC)C1 791841412 DBXSXDBSSDJNDV-MRXNPFEDSA-N 269.429 3.765 30 20 CHED C[C@@]1(C#N)CCCN(c2ncc(Cl)cc2Cl)C1 588016016 RJUJVBVERZVGDP-LBPRGKRZSA-N 270.163 3.518 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C1\Oc2ccccc2C1=O 794941778 XPAHXQDOXQYDHR-SXGWCWSVSA-N 294.306 3.618 30 20 CHED Cc1ncsc1C=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 794540798 DRQOFOGKPMXFFY-OSAQELSMSA-N 277.437 3.590 30 20 CHED Cc1nn(C)cc1/C=C1\CC(C)(C)c2ccccc2C1=O 794969934 WFNBNUDAMGBUSN-UKTHLTGXSA-N 280.371 3.676 30 20 CHED CC(=NNc1ncccc1F)c1cc(C)c(F)c(C)c1 794988985 CCEFQZCHECYBOJ-UHFFFAOYSA-N 275.302 3.813 30 20 CHED Fc1cccc(C2CC(=NNCCC(F)(F)F)C2)c1 794552479 JWLZBPPGUWRMIS-UHFFFAOYSA-N 274.261 3.601 30 20 CHED C#CCOc1cccc(Cl)c1C=NN[C@H](C)C(C)(C)C 793117946 YIAFQPSYAHTLSL-GFCCVEGCSA-N 292.810 3.710 30 20 CHED C=CCCSCCN[C@@H](C)c1cccc(F)c1F 595059181 MCYUVDCVVKRBFW-NSHDSACASA-N 271.376 3.925 30 20 CHED Oc1cccc(/C=N/[C@@H]2CCCc3ccc(F)cc32)c1O 794832529 JCRVDJBREDPPPD-GDXCHIGESA-N 285.318 3.733 30 20 CHED CC(C)(C)CC(=NNc1cncnc1)c1ccc(F)cc1 794973230 SDZRCPGEMMBLRM-UHFFFAOYSA-N 286.354 3.868 30 20 CHED CC[C@@H](C)CON=Cc1cc(OC)c(OC)cc1SC 793146714 UZDMVHJQVLZGKP-LLVKDONJSA-N 297.420 3.822 30 20 CHED C=CCN(Cc1nc([C@@H](C)SCC)no1)C(C)(C)C 595764877 FVEFIYUWQUBCGA-LLVKDONJSA-N 283.441 3.670 30 20 CHED CC[C@H]1CCC[C@@H](NCc2ccc(OC)c(C#N)c2)C1 87824488 SZHHVAAFPUITRE-XJKSGUPXSA-N 272.392 3.625 30 20 CHED Cc1c(Cl)ccc2c1N(Cc1cc(C#N)ccn1)CCC2 1167784474 JEAMMUBUWJCWRY-UHFFFAOYSA-N 297.789 3.868 30 20 CHED C=C(CNC(=O)N[C@H]1CCC[C@H](CC)C1)c1ccccc1 1312053596 YZQSHDURNQKHOV-RDJZCZTQSA-N 286.419 3.968 30 20 CHED C[C@H](C#N)Sc1nc2cc(Br)ccc2o1 1166624947 JDAMIUUTXCBAFW-ZCFIWIBFSA-N 283.150 3.594 30 20 CHED CC[C@H](C)CCNC(=O)Nc1ccc(C#N)c(Cl)c1 1310043289 ORECPPIMNLZHON-JTQLQIEISA-N 279.771 3.769 30 20 CHED Cc1cccc2c1CCC2=NNc1ccc(C(C)(C)C)nn1 1318921599 WESSWQHSNMTFAJ-UHFFFAOYSA-N 294.402 3.845 30 20 CHED C=CCOCCCC(=O)OCc1ccccc1C1CC1 1326839940 WGTNOBSLNADTRL-UHFFFAOYSA-N 274.360 3.590 30 20 CHED COc1cc(C#N)ccc1CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 1171190093 POSHOJCCENRKCN-IJEWVQPXSA-N 286.419 3.871 30 20 CHED Fc1ccc(CNN=Cc2ccccc2OC(F)F)cc1 1323961502 FXIBOMKDAVWAON-UHFFFAOYSA-N 294.276 3.551 30 20 CHED C=CC[C@@H](CC)NCc1sc(N2CCCCC2)nc1C 1325129030 PPNLDXCVBUHORW-CQSZACIVSA-N 293.480 3.886 30 20 CHED C=CCC(F)(F)c1nnc(CCc2ccccc2)o1 1327038719 KUZVUFWIHKZBNX-UHFFFAOYSA-N 264.275 3.523 30 20 CHED C=C1CCN(C(=O)C(F)(F)c2ccc(Cl)cc2)CC1 1322582974 ZJFQPNJHUAIIAH-UHFFFAOYSA-N 285.721 3.610 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1ccccc1OC(F)F 1336193587 PDMVGHJALLUNAO-NSHDSACASA-N 283.318 3.822 30 20 CHED CC[C@H]1CCN(c2ncc(Cl)c(C)c2C#N)[C@H]1C 1186185070 RQIIBEVSZIEEKH-QWRGUYRKSA-N 263.772 3.540 30 20 CHED C=C(C)CCC(=O)N1CCC(CCCN(CC)CC)CC1 1338949336 QJSKKXBEYOILRG-UHFFFAOYSA-N 294.483 3.703 30 20 CHED N#CC1(CC(=O)OCc2cccc(Cl)n2)CCCCC1 1333299631 SNVWXAVRVUPAAX-UHFFFAOYSA-N 292.766 3.642 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1331720183 PTBLVCRXVKICPK-MFKMUULPSA-N 290.234 3.631 30 20 CHED C#CCCCCC(=O)N(CC(C)(C)C)c1cccc(C)n1 1331345805 JWHRDHBXILGOAO-UHFFFAOYSA-N 286.419 3.963 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@@]12CCC[C@@H]1C2 1333556440 YLRPMSWICFQWDB-RDTXWAMCSA-N 283.371 3.721 30 20 CHED C=C(CC)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 1346611529 JGJUVFKCFKZXFF-QMMMGPOBSA-N 292.326 3.695 30 20 CHED N#CCCCOC(=O)c1cc(C(F)(F)F)ccc1Cl 1261812040 ZRIUVSZLEITTDK-UHFFFAOYSA-N 291.656 3.819 30 20 CHED CCCCC[C@@H](C(=O)[C@@H](C#N)c1nccn1CC)C(C)C 1349714037 PCYPYAKAFGGDLS-HUUCEWRRSA-N 289.423 3.932 30 20 CHED N#Cc1cccc(C#N)c1NC[C@H]1CCC2(CCCCC2)O1 1343783554 PIWLRGSHQAARNN-MRXNPFEDSA-N 295.386 3.724 30 20 CHED CCc1oc2ccccc2c1C(=O)N1CCC[C@H](CC#N)C1 1351217717 SMOZUZYDMAKGSD-CYBMUJFWSA-N 296.370 3.761 30 20 CHED Cc1cccc(CN(C)c2ccc(F)cc2C#N)c1 104249020 NLZJMXZYOSXGIM-UHFFFAOYSA-N 254.308 3.642 30 20 CHED CCOc1ccc([C@H](C)OC(=O)C2(C#N)CCCC2)cc1 1361263428 ZBQHVTNKEOPUDI-ZDUSSCGKSA-N 287.359 3.773 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1F 1526882112 QLAXJPJMVVDGBY-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED C=C[C@H](C(=O)N1CCC[C@H]1c1cc(C)no1)c1ccccc1 1527451900 QMQQXOHIKSNDBE-HOTGVXAUSA-N 296.370 3.616 30 20 CHED Cc1cccc(NC(=O)c2csc(C#N)c2)c1Cl 1523644467 YAMTZHNKERVRBD-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCCC[C@H](SCc1cc(F)ccc1C#N)C(=O)O 1609968275 VEBIAIAUIZIZJT-ZDUSSCGKSA-N 281.352 3.574 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CC2 113310592 RZZQAYVKVAXGKN-SFHVURJKSA-N 262.356 3.644 30 20 CHED N#Cc1ccc(NC(=O)c2ccccc2-c2ccncc2)cc1 1530576504 FMMFVNJRKVWMOG-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CCCN(C(=O)c1cccc(SCC#N)c1)C(C)C 1530091327 CSCLZBMJAMETKX-UHFFFAOYSA-N 276.405 3.563 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CC[C@@H](C)[C@@H]1C 1705753420 ZZRIIGQVRFJMET-PWSUYJOCSA-N 294.830 3.533 30 20 CHED CCC[C@@H](Nc1ncc(C#N)cc1Cl)C1CCC1 1559209905 UERROVGKLRKHMB-CYBMUJFWSA-N 263.772 3.987 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2cccs2)c1 1625601962 SYOMGFSWVXZALY-LLVKDONJSA-N 285.372 3.811 30 20 CHED CCCN(Cc1ccccc1F)c1ccc(C#N)c(C)n1 1559237976 MYRNAGMXQPSTNB-UHFFFAOYSA-N 283.350 3.817 30 20 CHED N#Cc1ccc(NCC2(c3ccccc3F)CCC2)nc1 1559227919 JFMQVIUPKLRVJG-UHFFFAOYSA-N 281.334 3.626 30 20 CHED C=CCCCOC(=O)c1ccsc1Br 835196649 JYUNZUGXDKNSES-UHFFFAOYSA-N 275.167 3.634 30 20 CHED CC(C)[C@@H]1CN(c2cccc(F)c2C#N)[C@@H]1C(C)C 1639909223 SYUVQGXJBZWJOB-XJKSGUPXSA-N 260.356 3.814 30 20 CHED CCCC[C@@H](ON=C(C)C)C(=O)Oc1ccc(NC)cc1 1577418797 DHRTXRMZFDWXLN-OAHLLOKOSA-N 292.379 3.605 30 20 CHED CCC[C@H](CN(CC)[C@H](C)c1ccc(C#N)cc1)OC 1657445091 UKMHFYUTHKOZIA-RHSMWYFYSA-N 274.408 3.756 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N(C2CC2)[C@H](C)C#N)CC(C)(C)C1 1586857084 NOGSKAWWNXRBEZ-MCIONIFRSA-N 276.424 3.742 30 20 CHED Cc1nsc(N(C)CCC2CCCCC2)c1C#N 1650711505 NHMNASTXUTYXEE-UHFFFAOYSA-N 263.410 3.730 30 20 CHED CCC1(CC)[C@@H](Nc2cc(C#N)ccc2OC)C[C@@H]1OC 1652158374 DIYWGGKFFIPAGK-HOTGVXAUSA-N 288.391 3.572 30 20 CHED C=CCC1(NCc2ccc(C(=O)O)c(C)c2)CCCC1 1588768808 GTMYHYJVWOLJFT-UHFFFAOYSA-N 273.376 3.672 30 20 CHED CCCCCCCCCn1cc(C(=O)O)nc1C 1595704372 ISLXWVRHTRPGTL-UHFFFAOYSA-N 252.358 3.640 30 20 CHED C=CC(C)(C)CN=c1c(C(=O)O)c[nH]c2c(C)c(C)ccc12 1776147908 HMKFAJXLYJEZFU-UHFFFAOYSA-N 298.386 3.596 30 20 CHED C=C(C)CCCC(=O)Nc1cc(C(=O)O)cc2cccnc12 1776138284 BMZGZFBPPWODBY-UHFFFAOYSA-N 298.342 3.618 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2ccc(C)c(C(=O)O)c2)c1 1777440557 UAOQQOLDRANVDO-VURMDHGXSA-N 296.322 3.603 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)NCC2(C#N)CCC2)CC1 1681626274 NUPAPCXEQUBBMJ-LSDHHAIUSA-N 291.439 3.584 30 20 CHED CC1(C)CCC/C(=C\c2cc(C(=O)O)ccc2F)C1=O 1776550755 FNRVASAQTOIQEB-CSKARUKUSA-N 276.307 3.687 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)c1ncccc1C#N 12817775 FGVITGSFERIRFQ-UHFFFAOYSA-N 292.169 3.896 30 20 CHED CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C#N)cc1 16778148 JXUPWBIJTFRTQU-OAHLLOKOSA-N 296.395 3.769 30 20 CHED C[C@@H](Nc1ccc(NC(=O)CC#N)cc1)c1ccccc1 153717039 JTPRUBPGVPFIBL-CYBMUJFWSA-N 279.343 3.712 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccc(F)cc1F)C(C)C 155130433 FFOWESZYIWATPS-IINYFYTJSA-N 282.334 3.536 30 20 CHED C=CCN(CC=C)Cc1coc(-c2ccc(OCC)cc2)n1 156092660 FUIPCZIENGUTJE-UHFFFAOYSA-N 298.386 3.914 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(Cl)c2F)C1 155211671 NIFUSVNGPGUYSI-BONVTDFDSA-N 294.757 3.681 30 20 CHED CC(C)(C)SCCCC(=O)N(CC#N)C1CCCC1 155488060 FEWWQTYSHHYWKF-UHFFFAOYSA-N 282.453 3.593 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1CC(F)(F)F 154882498 XWVVNEUPMBDVHX-UHFFFAOYSA-N 298.308 3.716 30 20 CHED C#CCCCCNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 154947350 WWFTUIAGHOJAAZ-SJLPKXTDSA-N 298.430 3.625 30 20 CHED Cc1ccc(Cl)cc1C(=O)N(CC#N)C1CCCC1 124729525 KBSLKEKLFKRACG-UHFFFAOYSA-N 276.767 3.557 30 20 CHED C[C@H](C#N)C(=O)NC(C1CCCCC1)C1CCCCC1 837264833 IFNVMIQEHAWKFX-CYBMUJFWSA-N 276.424 3.791 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1F 11039521 VCYSDYQZKOSWEU-LLVKDONJSA-N 272.298 3.687 30 20 CHED N#Cc1ccnc(NCCc2cc(F)cc(F)c2)c1Cl 236282565 QYPIOHXTNKPXRD-UHFFFAOYSA-N 293.704 3.539 30 20 CHED N#Cc1nccc(NC(C2CCCC2)C2CCCC2)n1 1187686272 OCQSVWPNYBODBB-UHFFFAOYSA-N 270.380 3.509 30 20 CHED CCC(CC)CN(CC)Cc1cc(C#N)ccc1OC 130423181 HCHGERJBPUKLDK-UHFFFAOYSA-N 274.408 3.825 30 20 CHED CCN(Cc1ccc(Cl)s1)C(=O)C1(C#N)CCCC1 70811111 HGDWPNGVDJKBCC-UHFFFAOYSA-N 296.823 3.834 30 20 CHED C#Cc1cccc(NC(=O)CSc2ccc(F)cc2)c1 23009839 ORGDFVJJJUUPPC-UHFFFAOYSA-N 285.343 3.538 30 20 CHED N#Cc1cccc(CNCc2ccc(F)c(Cl)c2)c1 53155471 FYNIUTGZTMXJMY-UHFFFAOYSA-N 274.726 3.641 30 20 CHED Cc1nn(C)c(Cl)c1CNc1ccc(Cl)c(C#N)c1 182050268 QUVBUJVZJRBWDR-UHFFFAOYSA-N 295.173 3.519 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1cccc(C#N)c1 66696220 ZMDOPUBIBYFVMJ-CQSZACIVSA-N 250.345 3.751 30 20 CHED Cc1cc(C#N)ccc1-c1nc(C2CCSCC2)no1 402298929 OPZWJUSEBGVLEV-UHFFFAOYSA-N 285.372 3.527 30 20 CHED CC(C)C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 404083973 QOKKPXDBMIQJSS-CQSZACIVSA-N 260.356 3.565 30 20 CHED CN(Cc1ccc(Br)cc1C#N)[C@@H]1CC1(C)C 347167591 VKILSZVDKISBKL-CYBMUJFWSA-N 293.208 3.551 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1c(O)cccc1F 436999231 MHIXKUWDSZRYPG-UHFFFAOYSA-N 299.345 3.750 30 20 CHED CC(=NNCc1ccccc1)c1ccc(F)c(Cl)c1 915952392 YSPGDKKEGDYGBM-UHFFFAOYSA-N 276.742 3.993 30 20 CHED C=CCCC[C@H](C)NC1CC(CNC(=O)OC(C)(C)C)C1 925706766 NQJLLDKCEXHDJT-NFOMZHRRSA-N 296.455 3.624 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccc(F)c(F)c1 746156236 GEUUWIJLHBOZDT-UHFFFAOYSA-N 271.310 3.600 30 20 CHED C=CC1CCN(Cc2coc(-c3cccs3)n2)CC1 111260420 SQNYSOVUMHZPQV-UHFFFAOYSA-N 274.389 3.801 30 20 CHED CC(C)(C)SCCCC(=O)NC1(C#N)CCCCC1 179201868 DFPQRIPCWMDRPZ-UHFFFAOYSA-N 282.453 3.641 30 20 CHED Cc1nc(N2CC[C@H]2c2ccccc2)c(Cl)cc1C#N 461780655 YBHXNMIAWVMBIZ-HNNXBMFYSA-N 283.762 3.867 30 20 CHED CCc1ccc(CCNCC(C)(C)CCC#N)cc1 174408880 JYOYDXVULZWQMN-UHFFFAOYSA-N 258.409 3.711 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(F)c(Cl)cc1F 134095188 DOFCWHXIKHNCQE-UHFFFAOYSA-N 298.701 3.804 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2cccc(C)c2)c1 103031964 XJYYJBDNFOTYRH-UHFFFAOYSA-N 277.367 3.572 30 20 CHED CCCCCCCN1CCn2c(nnc2-c2ccccc2)C1 174021657 BOGGNJHHDRVSQT-UHFFFAOYSA-N 298.434 3.731 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCCc1cccs1 178374851 ITZUQJHCZVIEQI-UHFFFAOYSA-N 284.384 3.890 30 20 CHED C=CCOc1ccc(-c2nc3ccc(C)nc3[nH]2)cc1OC 178980703 ANGLIPBOJCAWGR-UHFFFAOYSA-N 295.342 3.507 30 20 CHED CC[C@@H](c1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1 173956323 YTLVEWJTKKAEQS-KRWDZBQOSA-N 299.395 3.624 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(C)oc1C 119040455 WGCDPQHVWJHKIG-MRXNPFEDSA-N 282.343 3.649 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cnc(-c2ccccc2)s1 176034510 UCBTURDVEYDSGM-GFCCVEGCSA-N 286.356 3.515 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)c2cc(C)oc2C)CC1 111843560 LDSDZUQQSBDVEP-GFCCVEGCSA-N 276.380 3.565 30 20 CHED Cc1ccsc1C(=O)/C=C/c1csc([N+](=O)[O-])c1 113771927 UIXRXKHRVWCQHF-NSCUHMNNSA-N 279.342 3.922 30 20 CHED CC[C@H](C)[C@H](C)N(CCCSCC#N)C1CC1 173883141 GCYBSOFFZZPMHB-STQMWFEESA-N 254.443 3.532 30 20 CHED N#Cc1ccc(CN(C(=O)CCC2CCC2)C2CC2)cc1 175498738 FNOHNVOOHARDSC-UHFFFAOYSA-N 282.387 3.630 30 20 CHED Cc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1F 171510486 RSNVIRQAQLTKIC-UHFFFAOYSA-N 266.271 3.597 30 20 CHED CC(C)(C)CCCCNC(=O)c1ccccc1OCC#N 171520493 BFVAOIRQBBOGCM-UHFFFAOYSA-N 288.391 3.535 30 20 CHED C=C(C)COc1cccc(NC(=O)Cc2ccsc2)c1 171285754 GLYHDZDBTMEXIF-UHFFFAOYSA-N 287.384 3.884 30 20 CHED CC[C@@H]1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)C1 301543005 CUYTVZFFEFYFCV-GFCCVEGCSA-N 283.350 3.790 30 20 CHED N#Cc1c(NCCc2ccccc2Cl)nc2ccccn12 302075953 HEOBARGYWXLDFA-UHFFFAOYSA-N 296.761 3.514 30 20 CHED CCCN(CCc1cccc(F)c1)c1ccc(C#N)nc1 301530420 JNEZRSOTLOXNLO-UHFFFAOYSA-N 283.350 3.551 30 20 CHED C[C@H]1CCCN(CCCCNc2ccc(C#N)cc2F)C1 301137403 CEIUJWGWKSGVHX-AWEZNQCLSA-N 289.398 3.621 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)c1cccs1 172661562 CWRKCXAGIOPGCQ-QWRGUYRKSA-N 296.351 3.869 30 20 CHED C=CCCSc1nc(C2CC2)n(-c2ccccc2)n1 303799760 LJKIWKFSZJHDDZ-UHFFFAOYSA-N 271.389 3.813 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(C#N)cc1 60168365 LJAMSEFZJRSTAU-UHFFFAOYSA-N 276.383 3.789 30 20 CHED N#Cc1ccc(N[C@@H]2CCCSC2)cc1Cl 61572869 GTUADQOKPDITER-LLVKDONJSA-N 252.770 3.519 30 20 CHED C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 31436537 NTJQVITVPYOWBO-LLVKDONJSA-N 284.746 3.703 30 20 CHED N#Cc1ccc(OC(=O)[C@@H](c2ccccc2)C2CC2)c(F)c1 125619644 ZCZRYUGAAMQGCI-KRWDZBQOSA-N 295.313 3.797 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2C[C@H]3CC[C@H]2C3)c1 302228934 AMNDNWGXRGJMQX-QWRGUYRKSA-N 266.266 3.566 30 20 CHED CCN(CC)/C(N)=N/CC1CCC(c2ccccc2)CC1 304739532 BHDGDSXAMLLKMQ-UHFFFAOYSA-N 287.451 3.617 30 20 CHED CC#CCCCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187291728 DSNYZKALDSYFSG-UHFFFAOYSA-N 288.435 3.795 30 20 CHED C=CCSCCNC(=O)CC1CCC(C)(C)CC1 503260726 IOMWIBNMIRZXMD-UHFFFAOYSA-N 269.454 3.628 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(CCC)cs1 189086084 ILDOWCWUNXJSPC-CYBMUJFWSA-N 252.383 3.636 30 20 CHED CCCOc1ccccc1NCc1ccccc1C#N 219239146 CLCJQMXZZBARNS-UHFFFAOYSA-N 266.344 3.959 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cnc(-c2ccccc2)nc1 500105628 WXQCMZSZXNFHEM-CQSZACIVSA-N 296.374 3.620 30 20 CHED CCNc1nc(S[C@@H](C)CCC#N)nc2ccccc12 188275077 AMRCOIICYMSKOD-NSHDSACASA-N 286.404 3.846 30 20 CHED C=CCN(Cc1csc(C(C)(C)C)n1)C1CC1 357552097 KERWCMUSZKPXJG-UHFFFAOYSA-N 250.411 3.591 30 20 CHED Cc1nc2ccc(Nc3snc(C)c3C#N)cc2s1 360891890 SMJGBOZPXFYQMQ-UHFFFAOYSA-N 286.385 3.985 30 20 CHED Cc1cc(F)cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 76842863 ZYNDARCTDLNLTL-ZDUSSCGKSA-N 294.285 3.765 30 20 CHED CC1(C)CC(=O)c2ccc(OCC3(C#N)CCC3)cc2O1 418858389 VQTYYGMEVGKZBP-UHFFFAOYSA-N 285.343 3.503 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 502551324 KEZPTYYTBXBNCN-VHSXEESVSA-N 264.756 3.832 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc2ccccc2c1 337210506 UDRIWAVTXVJOEH-MRXNPFEDSA-N 252.361 3.775 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OCCCC)cc1 180415354 PLGBXKDMCIAGEH-UHFFFAOYSA-N 261.365 3.514 30 20 CHED CC#CCCCC(=O)Nc1cc(C(C)(C)C)ccc1O 184764657 DGELYRDRMRDSIJ-UHFFFAOYSA-N 273.376 3.822 30 20 CHED CCCCOc1cccc(CNc2ccc(C#N)cn2)c1 79933383 NOEFROWTYKSRCP-UHFFFAOYSA-N 281.359 3.744 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)CCc1ccco1 34993290 WILHGZXFNCWUIK-HNNXBMFYSA-N 285.387 3.955 30 20 CHED COc1ccccc1CCCOc1cccc(F)c1C#N 503256491 OTZDWMUKLQOELN-UHFFFAOYSA-N 285.318 3.718 30 20 CHED CCc1cnc(CN(C)c2cccc(Cl)c2C#N)s1 450361581 CWJVZQRNZUPXPE-UHFFFAOYSA-N 291.807 3.867 30 20 CHED C[C@H](C#N)N(C)C(=O)CC1CCC(C(C)(C)C)CC1 410886538 ZXCSHOUUZXDWOH-IYXRBSQSSA-N 264.413 3.599 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)o1)c1ccc(C2CC2)cc1 416084947 ZCBLOPYPTXTLNU-LLVKDONJSA-N 280.327 3.520 30 20 CHED N#CC1(COc2cc(Br)ccc2F)CCC1 450913234 YOVKUQQCEWAFMU-UHFFFAOYSA-N 284.128 3.661 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CC)C1 508498714 UROGNKGFJUYRNR-AWEZNQCLSA-N 290.455 3.679 30 20 CHED N#C[C@H](C(=O)C1CC1)c1nc2cc(Cl)ccc2s1 76606507 MLNZEBDAQOJHTD-SECBINFHSA-N 276.748 3.536 30 20 CHED CC[C@H](CN[C@H]1CCC[C@H](C#N)C1)CC(F)(F)F 414274141 ZBJCLTRWOGQULI-SRVKXCTJSA-N 262.319 3.637 30 20 CHED CCOC1(C)CCN(CCC2(C#N)CCCCC2)CC1 411744100 KOJUABCFTWLMKK-UHFFFAOYSA-N 278.440 3.742 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@H]1CSc2ccccc21 329306849 BHJPQAXGYJXJDI-LBPRGKRZSA-N 288.372 3.697 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H](C)CCSC)c1ccccc1 135239635 XMHHLGUMMPITLC-LSDHHAIUSA-N 291.460 3.946 30 20 CHED Cc1cc(C)cc(NC(=O)c2c(F)cc(C#N)cc2F)c1 133211824 YRBIPYSDXJLLDX-UHFFFAOYSA-N 286.281 3.706 30 20 CHED COCc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1 132633994 AEPJGPGQESMIDT-MHWRWJLKSA-N 294.350 3.751 30 20 CHED OC(=Nc1nncn1C1CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329106495 HMIUOXFNGGZVGN-YNEHKIRRSA-N 288.395 3.808 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cccc2[nH]ccc12 131205069 CGJJMJIVIINJTN-UHFFFAOYSA-N 275.355 3.672 30 20 CHED N#Cc1ccc(SCC(=O)c2ccccc2)cc1 48512123 YHMFBZPGTJXRGB-UHFFFAOYSA-N 253.326 3.533 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(OCc2ccccc2)c1 380907918 ILBKYYRUODLMAB-OAHLLOKOSA-N 294.354 3.754 30 20 CHED C=C[C@H](CC(=O)N1CCS[C@H](C)CC1)c1ccccc1 191390834 PCCNCFOUILBFDK-HUUCEWRRSA-N 289.444 3.700 30 20 CHED N#CC1(CCN2CCCC[C@@H]2c2cc[nH]n2)CCCCC1 516739578 OMFGDQGPWANKGZ-MRXNPFEDSA-N 286.423 3.801 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@@H](C)CC1 190925335 BHQLNTIRQJKTMM-KGLIPLIRSA-N 252.402 3.563 30 20 CHED CC(C)(C)c1cc(/C(O)=N/C[C@@H]2CCCCS2)no1 329665493 QUPXDIYGCKLECT-JTQLQIEISA-N 282.409 3.562 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2c(F)cccc2F)no1 424332692 CMXOWFATIHLRPW-UHFFFAOYSA-N 278.302 3.792 30 20 CHED C=CCN(C(=O)CC1(C)CC1)c1nc2c(s1)CCCC2 428318972 ICKJBWSSWPMNEU-UHFFFAOYSA-N 290.432 3.731 30 20 CHED C#CCCCC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 192223087 OZJATYWXDVQHCJ-UHFFFAOYSA-N 289.423 3.678 30 20 CHED C=C[C@](C)(CC)C(=O)N(CC)Cc1ccc(OC)cc1 190191477 QZXTXKDOPKRUKV-QGZVFWFLSA-N 275.392 3.646 30 20 CHED CCCCCCC(=O)CSc1nnc(C)c(C)c1C#N 190238785 DFZNTWPBWOJMKK-UHFFFAOYSA-N 291.420 3.597 30 20 CHED C=C(CNC(=O)N(C)CC1CCCCC1)c1ccccc1 512667311 PDVGRGXJNMQHIZ-UHFFFAOYSA-N 286.419 3.922 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)N1CCC(CCC#N)CC1 335500859 LRSUHKGXNWOOAA-UHFFFAOYSA-N 295.386 3.632 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2)c1 194596793 QHXLXWAGDKOTBP-CMDGGOBGSA-N 296.370 3.925 30 20 CHED CC(C)C(CNCc1ccc(C#N)s1)C(C)C 191702991 JDOUATYHOJSZDC-UHFFFAOYSA-N 250.411 3.638 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(CC)s1 190565043 SUJMYNUJCBSJCV-CQSZACIVSA-N 251.395 3.529 30 20 CHED C=CCN(CC=C)Cc1ccc(OCC)c(OCC)c1 338386170 IZLBMPUZZJSHFQ-UHFFFAOYSA-N 275.392 3.658 30 20 CHED CSc1ccc(/C=C\C(=O)c2ccncc2)cc1 90556943 HUIQHERGPFGBIM-DAXSKMNVSA-N 255.342 3.700 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 514703786 MEBLHMIWRNUKNX-SUNYJGFJSA-N 284.403 3.784 30 20 CHED CC(C)CC1(C/N=C(/O)N[C@@H]2CCO[C@H](C)C2)CCCC1 330604949 LVOIRIHRPSERFE-HUUCEWRRSA-N 296.455 3.664 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc2c3c(cccc13)CC2 336243465 RLSKULZGPNSSLN-UHFFFAOYSA-N 292.382 3.560 30 20 CHED CCNc1ccc(Cl)cc1/C(O)=N/[C@@H]1CCC[C@@H]1C#N 331064417 PFORRVDQGXPCFG-ZWNOBZJWSA-N 291.782 3.769 30 20 CHED N#Cc1cc(F)c(N2CCC[C@@H]2c2cccnc2)c(F)c1 335440491 WSIZHLZBKFYJLN-OAHLLOKOSA-N 285.297 3.573 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(OC)c1O 93101027 XYGAQVRUKCEEFS-UHFFFAOYSA-N 290.407 3.553 30 20 CHED Cc1nnc(N[C@@H]2CCCc3ccc(F)cc32)c(C#N)c1C 92976541 XIFJDSLYUSZTSI-MRXNPFEDSA-N 296.349 3.594 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(NC(C)=O)cc1 97464746 ASDDMCAZRJHKBL-XFXZXTDPSA-N 295.338 3.550 30 20 CHED CC1(C)CC(=O)c2c(OCC3(C#N)CCC3)cccc2O1 333120199 ABMHQQJUNMVISL-UHFFFAOYSA-N 285.343 3.503 30 20 CHED C[C@H](C#N)Oc1ccc(CNC2CCCCCC2)cc1 237564411 CPYGUAAQFDSLNX-CQSZACIVSA-N 272.392 3.790 30 20 CHED C=C(C)COCCN[C@@H]1CCCOc2c(Cl)cccc21 90451086 QQALDCGYPJCYJC-OAHLLOKOSA-N 295.810 3.736 30 20 CHED N#Cc1ccc(N2CCC[C@H]2C2CCCC2)cc1[N+](=O)[O-] 94593112 XZPVLCYTJIKKDI-HNNXBMFYSA-N 285.347 3.625 30 20 CHED C=CC1CCN(C(=O)NCC(C)(C)C(C)(C)C)CC1 432603723 WKDOEUQWCHXKNH-UHFFFAOYSA-N 266.429 3.666 30 20 CHED Cc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)c(C)n1 94664621 WCHFFMGDXWEZFA-CYBMUJFWSA-N 281.359 3.774 30 20 CHED Cc1ccc(CN(CCC#N)Cc2ccccn2)cc1C 93100603 VFZMWOHYOAGTJG-UHFFFAOYSA-N 279.387 3.614 30 20 CHED Cc1ccc(C(C)(C)CC(=O)N2CCC(C)(C#N)CC2)cc1 336535524 UKRFCHYQIXCAJT-UHFFFAOYSA-N 298.430 3.815 30 20 CHED N#Cc1cccc(C#N)c1N1CCC[C@H](CC(F)(F)F)C1 335570709 WBKDVJNKFBIGLC-LLVKDONJSA-N 293.292 3.599 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@@H]1CCCC 436308843 NSBRSVJLORKZPJ-HZMVEIRTSA-N 265.441 3.916 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)c1ncccc1C#N 340962773 JDZPNBDRIFNJCE-HNNXBMFYSA-N 281.359 3.549 30 20 CHED CCOC(=O)C[C@H](C)SCc1ccc(C#N)cc1Cl 438905590 ZLEANDZOBCOLMF-JTQLQIEISA-N 297.807 3.787 30 20 CHED CC(C)(CCC#N)CNc1cccc(C(F)(F)F)n1 340892486 INHSYTOMIYGBJI-UHFFFAOYSA-N 271.286 3.842 30 20 CHED Cc1c(NCc2cccc(C#N)c2)cnn1CCC(C)C 341314225 SJSHRMPQONGEQR-UHFFFAOYSA-N 282.391 3.721 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1cscc1C#N 346715531 SJAFTCZZFUZTHG-LBPRGKRZSA-N 284.384 3.728 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2sccc2C#N)c1 602230698 TUNAGTOQHIMQQD-UONOGXRCSA-N 282.368 3.670 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc3ncccc3c2)c1 340731554 ISVNVNIRKGZFIP-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CCCC1(C(=O)Nc2cc(C#N)ccc2OCC)CCC1 345824585 DYKNUHRVEKSOOA-UHFFFAOYSA-N 286.375 3.866 30 20 CHED COc1cccc(NC(=O)CC2(C#N)CCCCC2)c1C 600308827 IDXUHWADQGXSCE-UHFFFAOYSA-N 286.375 3.806 30 20 CHED Cc1ccc(C[C@@H](C)NC[C@H](C)CCC#N)s1 602556333 KSVBJVRCJNGJIQ-VXGBXAGGSA-N 250.411 3.517 30 20 CHED Cc1nc(S[C@@H](C#N)C2CC2)[nH]c1-c1ccccc1 601082220 ZOAAIUXOHMVYLN-ZDUSSCGKSA-N 269.373 3.779 30 20 CHED C[C@@H](CCC#N)CN[C@H]1C[C@H](c2cccc(F)c2)C1 602647047 VZKHKXWEQYXJGZ-NOLJZWGESA-N 260.356 3.601 30 20 CHED C=CCCN(C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 342739626 PTDAXZYFGQLQHO-LLVKDONJSA-N 291.782 3.959 30 20 CHED C[C@@H]1[C@@H](NCc2ccc(N(C)CCC#N)cc2)CCC[C@H]1C 255215538 LPYYBYCQLOQGMJ-GJYPPUQNSA-N 299.462 3.951 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(Cl)s1 255515571 XEWFUSXMTOVOFU-XQRVVYSFSA-N 280.780 3.648 30 20 CHED N#CCCCCSc1n[nH]c(/C=C/c2ccccc2)n1 345077924 VQJSFKBJIISCJV-MDZDMXLPSA-N 284.388 3.761 30 20 CHED CC[C@H](CC#N)NC(=O)c1sc2ccc(C)cc2c1C 346532831 GBTUWLNCTMQNCV-GFCCVEGCSA-N 286.400 3.940 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\C[C@H]1CCCOC1 255037025 QLAOWSRSUJMFAC-UIKYOSCFSA-N 288.174 3.545 30 20 CHED CC[C@@H](C#N)Sc1nccn1-c1ccc(Cl)cc1 436040843 KXIIIVSTBMGUCI-LBPRGKRZSA-N 277.780 3.920 30 20 CHED CC(C)CN(C(=O)CCC(C)(F)F)c1ccc(C#N)cc1 603739116 DJCQIBDARULSBJ-UHFFFAOYSA-N 294.345 3.983 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1cccs1)C1CCCC1 538195102 OBEPFGSTYBMUGK-CZUORRHYSA-N 279.449 3.754 30 20 CHED COc1ccc(CN(C)c2nc(C)cc(C)c2C#N)cc1C 343519023 OMXBLSYJTBJMFG-UHFFFAOYSA-N 295.386 3.524 30 20 CHED N#C[C@@H]1CC[C@@H](n2cc(-c3ccc(Cl)s3)nn2)C1 600812375 CEFKNWWVIRBTLG-RKDXNWHRSA-N 278.768 3.525 30 20 CHED N#Cc1ccc(Cl)cc1OCCCO[C@H]1CCCCO1 341298247 ZCCQCTAHYWUEHY-HNNXBMFYSA-N 295.766 3.524 30 20 CHED CC(C)c1cccnc1NCc1ccc(C#N)s1 341954766 UHURFRCAFOHDFY-UHFFFAOYSA-N 257.362 3.750 30 20 CHED Cc1ccccc1C=NOCc1ccc(C#N)cc1F 255588505 KQVPEIATRKNHAF-UHFFFAOYSA-N 268.291 3.557 30 20 CHED N#C[C@]1(C(=O)Nc2cscc2Cl)CC12CCCC2 602223383 YQGYEMIOKRGVCJ-ZDUSSCGKSA-N 280.780 3.814 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CSc2ccccc21 449358026 FGZLNGDQTWGGIA-ZDUSSCGKSA-N 274.433 3.795 30 20 CHED C[C@H](c1cccc(Cl)c1)N1CCC(F)(C#N)CC1 352448567 HXNRDFRVOXDXAM-LLVKDONJSA-N 266.747 3.729 30 20 CHED Cc1ccc2sc(C[S@@](=O)CCCCC#N)nc2c1 600921137 BTTXAPGHXDMIIZ-IBGZPJMESA-N 292.429 3.547 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(SC)c(F)c1 449516826 CPHCFKOMZCEIAO-HONMWMINSA-N 281.396 3.542 30 20 CHED C=CCN(C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CC1 536746249 CRWSWPGYJJADJU-SUYBPPKGSA-N 276.424 3.561 30 20 CHED Cc1ccc2c(c1)CN(Cc1cc(C#N)n(C)c1)C(C)(C)C2 354435951 QVMCGGKDJXFBDQ-UHFFFAOYSA-N 293.414 3.542 30 20 CHED CCC(=O)CCCSc1nc2c(c(C)c1C#N)CCC2 352377662 DIUQABHYEGSKNE-UHFFFAOYSA-N 288.416 3.602 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 448909015 HYRBQQZNOLIZEZ-PMPSAXMXSA-N 276.424 3.601 30 20 CHED CCCC[C@@H](CCC)CNC(=O)Cc1ccc(C#N)cc1 440827096 PKFLOSWOQXQMNN-QGZVFWFLSA-N 286.419 3.823 30 20 CHED C=CC1CCN(Cc2ccc(OCC(F)F)cc2)CC1 537628082 FBVNGZCTJBINCE-UHFFFAOYSA-N 281.346 3.729 30 20 CHED N#Cc1ccncc1N1CCCC2(CCCCCC2)C1 536706665 YGELGIHODJBZTK-UHFFFAOYSA-N 269.392 3.894 30 20 CHED CCc1ccccc1CCN(C)Cc1cccc(C#N)c1 444593729 RTGPQQIICCPUEI-UHFFFAOYSA-N 278.399 3.795 30 20 CHED N#Cc1ncccc1N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 357680690 MZRIFJJKNRCMDN-IINYFYTJSA-N 287.725 3.714 30 20 CHED C=CCCCNC(=O)C[C@H](c1cccs1)n1cccc1 357467046 AUZHOJQUUAZDIZ-CQSZACIVSA-N 288.416 3.612 30 20 CHED C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1 611438808 WDWGUZYCNRVXBR-KBPBESRZSA-N 275.355 3.842 30 20 CHED Cc1cn(Cc2cc(F)ccc2Br)cc1C#N 531578108 JGZCDTDFKCLIEF-UHFFFAOYSA-N 293.139 3.618 30 20 CHED CCN(Cc1cc(C)ccn1)[C@@H](C)c1ccc(C#N)cc1 616749011 CEVXGCUXBOEKJP-HNNXBMFYSA-N 279.387 3.845 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(NS(C)(=O)=O)cc1 449049353 YMAOFRHLLITKGT-CYBMUJFWSA-N 296.436 3.605 30 20 CHED C=CCOCCCS[C@@H](C)c1nc(C(C)C)no1 359113840 FBOATDSEIRITJW-NSHDSACASA-N 270.398 3.580 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(C)c2cc(Cl)ccc2C#N)C1 537355868 COEYIBVDMPDSMZ-GHMZBOCLSA-N 276.767 3.611 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCC(C)(C)C1 443166149 IMLPLHCTRRKWTL-MRXNPFEDSA-N 299.418 3.668 30 20 CHED CCC1(CC)CN(C(=O)c2cccc(SCC#N)c2)C1 355824862 AOOMLPSOQPTNKS-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CC1(C)CCC(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 618732100 SHJXKPJLIWFEPM-KRWDZBQOSA-N 296.414 3.878 30 20 CHED N#Cc1ccc(N2CCC(c3ccc(F)c(F)c3)CC2)nc1 264125506 OMNJKEBKNBZJCB-UHFFFAOYSA-N 299.324 3.615 30 20 CHED CC(C)c1ccccc1NC(=O)N1CCC[C@@](C)(C#N)C1 612290264 WCLXTZZTEOCYDS-KRWDZBQOSA-N 285.391 3.968 30 20 CHED CN(CCC1CCCCC1)c1c(C#N)nnc2ccccc12 610130038 AMFGKQCLJNKCQN-UHFFFAOYSA-N 294.402 3.908 30 20 CHED Cc1cc(C)c2nc(NC(=O)C3(C#N)CC(C)C3)sc2c1 531562684 DVWSYOQAZMFTBT-UHFFFAOYSA-N 299.399 3.792 30 20 CHED Cc1nc(C2CCCCC2)sc1C(=O)N[C@@H](C)CC#N 539354432 RMNQZOFWCWGFGA-JTQLQIEISA-N 291.420 3.531 30 20 CHED C=CCC[C@H](NC[C@@H]1CCOC2(CCC2)C1)C1CC1 453328195 WPSXEJVCJKXAND-ZBFHGGJFSA-N 263.425 3.670 30 20 CHED C=C(CC)CNC(=O)[C@@H](OC1CCCC1)c1ccccc1 456832164 WFBSHLSNHDEIRF-KRWDZBQOSA-N 287.403 3.769 30 20 CHED C=CC(C)(C)C(=O)Nc1cnn(CCCC)c1C(C)C 451358717 GVWINAVBNQTFGO-UHFFFAOYSA-N 277.412 3.957 30 20 CHED C=C(CC)CNC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 455521754 LKHHVOCCCYYMHH-RYUDHWBXSA-N 292.345 3.621 30 20 CHED CCC(CC)(CC)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618790271 ZQOFAOARJBNLIS-INIZCTEOSA-N 284.403 3.878 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1(c2ccccc2)CC1 531320273 JHCQOCPAWPGUFF-UHFFFAOYSA-N 291.354 3.678 30 20 CHED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)ccc1Cl 531581460 ORXCCEAIDZLJAK-BZNIZROVSA-N 290.794 3.851 30 20 CHED C=C(C)C[C@@H](C)C(=O)NC1CCc2ccccc2CC1 456461461 QGULHAJGUFXUSE-CQSZACIVSA-N 271.404 3.653 30 20 CHED C[C@@H](c1c(F)cccc1F)N(C)CC1(C#N)CCC1 450293048 ZNQOPNWVRNAGGR-NSHDSACASA-N 264.319 3.651 30 20 CHED CC(C)(CCC#N)CN1CC(C)(CC(F)(F)F)C1 459640905 QPFDYKDTOFLLGM-UHFFFAOYSA-N 262.319 3.591 30 20 CHED CC#CC(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 277788592 UURSTMFMUUNCOZ-YOEHRIQHSA-N 285.387 3.744 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccccc1F 618667548 FKCRAEUTYHFMSP-HNNXBMFYSA-N 295.317 3.506 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCCc1cccs1 540488117 SQDKQYNVBHYSOD-CYBMUJFWSA-N 280.437 3.725 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc3[nH]ccc3c2)no1)OCC 273696614 KJASCEAWSPUEJS-HNNXBMFYSA-N 297.358 3.742 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Cc1ccccc1Cl 452778690 YQMYXLIENBMUHU-LBPRGKRZSA-N 279.811 3.847 30 20 CHED COc1ccc(C)cc1CN[C@@H]1CCc2cc(C#N)ccc21 618741651 JDFMSBOIGMDQHW-GOSISDBHSA-N 292.382 3.652 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)Cc2cccs2)c1 456006826 QMCYELZXFGJLSQ-LBPRGKRZSA-N 299.399 3.681 30 20 CHED CCO[C@@H]1CCCC[C@H]1NCC#Cc1cccc(Cl)c1 452031695 AXZXKJQTCMWXNH-IAGOWNOFSA-N 291.822 3.629 30 20 CHED CC(C)(C#N)CC(=O)Nc1sccc1C(=O)C(C)(C)C 278389596 RTTZNTUTERRRBC-UHFFFAOYSA-N 292.404 3.855 30 20 CHED CC#CCCCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 274375288 XGEVNGXUEIWLLX-SJORKVTESA-N 269.388 3.633 30 20 CHED COCC[C@@H](Nc1ccc(C#N)cc1)c1ccc(C)o1 272250471 SMINUKKHFMCPGK-OAHLLOKOSA-N 270.332 3.649 30 20 CHED C=CCC1(C(=O)N(C)Cc2ncc(CC)s2)CCCC1 450031418 FKOWANDSJRFXHZ-UHFFFAOYSA-N 292.448 3.800 30 20 CHED C=C(C)CCNC(=O)N[C@H](c1ccc(C)cc1)C1CC1 457579120 SLOQANBGVZSDEP-MRXNPFEDSA-N 272.392 3.712 30 20 CHED Cc1cccc([C@@H]2CCCCN2C(=O)NCCCC#N)c1C 273228557 LNVOXVFRTWKKEX-KRWDZBQOSA-N 299.418 3.844 30 20 CHED C=CC[C@H]1N(C(=O)N[C@H](C)C(C)(F)F)CCCC1(C)C 455777833 GVYCVYJTEXDPNU-VXGBXAGGSA-N 288.382 3.806 30 20 CHED C=CCC1(NC(=O)c2cc(C#N)cs2)CCCCC1 456360011 DCICASPKXGSLSX-UHFFFAOYSA-N 274.389 3.629 30 20 CHED COc1cc(C#N)ccc1NCCc1ccc(C)cc1 545294185 ZTDOWLLAVYFCDZ-UHFFFAOYSA-N 266.344 3.530 30 20 CHED C=CCn1c(S[C@H]2CC[C@H](C)C2)nnc1C1CC1 272439867 STDAZQDPMLAZQV-JQWIXIFHSA-N 263.410 3.622 30 20 CHED C=CC[C@H](C(=O)N(CC=C)C1CC1)c1ccccc1 275001390 DBPCRDAFJQPZQV-INIZCTEOSA-N 255.361 3.523 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CCC)c1ccc(OC)cc1 453375893 XNCWYAZFOPGSQL-KSZLIROESA-N 289.419 3.860 30 20 CHED CC/C=C/CNC(=O)c1sc2ccc(C#N)cc2c1C 452607110 SSWDJJVDLYTTOL-SNAWJCMRSA-N 284.384 3.777 30 20 CHED CCCCc1ccc(CC(=O)N2CCC(CC#N)CC2)cc1 542907440 FQAPZRXNCSQXLV-UHFFFAOYSA-N 298.430 3.724 30 20 CHED C=C(CC)CN[C@@H](c1nc(C)cs1)C(F)(F)F 451129429 MQINCMKKYGFECY-VIFPVBQESA-N 264.316 3.611 30 20 CHED C=C(CC)CNC(=O)C(C)(C)c1cccc(Cl)c1 456815862 ZNAHUDKIYPWPKF-UHFFFAOYSA-N 265.784 3.700 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@H](C)C(C)(C)C1 549292393 QCNPIUVHECAIGQ-AWEZNQCLSA-N 290.455 3.850 30 20 CHED C=CC[C@H](CC)NC(=O)N(C(CC)CC)C1CC1 545960899 ARIXLZVGWQOIIV-LBPRGKRZSA-N 252.402 3.704 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)Nc1ccccc1CC#N 549715391 LMQYRYVQNMRASX-CYBMUJFWSA-N 296.345 3.709 30 20 CHED C=CCCC[C@@H](C)N[C@H](COC)Cc1ccccc1 541588316 DBSBXOGVDVCFNT-WBVHZDCISA-N 261.409 3.579 30 20 CHED C#CCCCNc1ccccc1NC(=O)C[C@H]1C=CCC1 270956370 WQXBWIWRYIAZAZ-HNNXBMFYSA-N 282.387 3.807 30 20 CHED CCCCCOc1ccc(C(=O)N[C@@H](C#N)C(C)C)cc1 463831202 QBGJFFPSQXWRKA-INIZCTEOSA-N 288.391 3.534 30 20 CHED C[C@H](C#N)CN[C@@H](C)CCc1ccc(C(F)(F)F)cc1 549378227 NZLMAQYCGVSNML-NEPJUHHUSA-N 284.325 3.776 30 20 CHED C=CCSCCN[C@@H](Cc1ccccc1)C1CC1 541897181 QJQZYKWBZLRDKZ-INIZCTEOSA-N 261.434 3.517 30 20 CHED CC#CCCn1cnc2scc(-c3ccccc3)c2c1=O 462365929 HCPQZAYVEYSJJX-UHFFFAOYSA-N 294.379 3.538 30 20 CHED CC(C)(C#N)CCSCC(=O)NCCC1=CCCCC1 289348699 GKQFWXOVWBWRJR-UHFFFAOYSA-N 294.464 3.666 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)n(C2CCCCC2)n1 289990240 YVRCJPCRJWLYBY-LBPRGKRZSA-N 290.411 3.783 30 20 CHED C=CCCCCNC(=O)NC(C1CCC1)C1CCC1 554052732 UEQDRTPQAKCKQB-UHFFFAOYSA-N 264.413 3.611 30 20 CHED CN(Cc1c(F)cccc1Br)CC(C)(C)C#N 552316818 NMPMSULLZKWNHR-UHFFFAOYSA-N 299.187 3.570 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H](C(C)C)C1 555291135 SKFPNERZHMQCQS-HNNXBMFYSA-N 288.439 3.604 30 20 CHED Cc1cc(C#N)cnc1-c1nc(-c2ccc(Cl)cc2)no1 559925741 SEASBNSQBINCPL-UHFFFAOYSA-N 296.717 3.632 30 20 CHED N#Cc1ccccc1CSCCN[C@@H]1CC[C@H]1C1CC1 554349213 QXLGTNVLQXOMEA-DLBZAZTESA-N 286.444 3.570 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C)c(C)o1 282735372 MVKCDCSBVGQIHF-NOLJZWGESA-N 263.381 3.528 30 20 CHED C=C(C)C[C@H](C)c1nc(CN(C)C(=O)OC(C)(C)C)no1 289031001 WLFPYKSMNKVKMS-NSHDSACASA-N 295.383 3.506 30 20 CHED CC/C=C(\C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 298930918 BYUTYSWFOWEDGU-MKMNVTDBSA-N 270.376 3.652 30 20 CHED CCCC[C@@H](C)[C@@H](C)NCc1ccc(OCC#N)cc1 808705637 MYMORDUGSOKENF-HUUCEWRRSA-N 274.408 3.893 30 20 CHED CCc1cc(NC(=O)[C@](C)(C#N)CC)c2ccccc2n1 290249369 JTDMUNMWXMUGHI-KRWDZBQOSA-N 281.359 3.676 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccnc(OC(F)F)c2)no1 562898737 DHZQITCNHODSHE-CQSZACIVSA-N 295.289 3.587 30 20 CHED C=CCSCCNC(=O)Nc1c(F)cccc1Cl 568746494 NDRZRTOPKBSUGJ-UHFFFAOYSA-N 288.775 3.520 30 20 CHED C#CCC1(c2nc(-c3nc(C)cs3)no2)CCCCC1 809404610 KXPXJNCXDWWCPC-UHFFFAOYSA-N 287.388 3.727 30 20 CHED N#CC1(c2nc(-c3ccc(Cl)cc3F)no2)CCCC1 293233502 DZTHTFBTDMQEGR-UHFFFAOYSA-N 291.713 3.864 30 20 CHED C#C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(Cl)cc1F 804420681 MEGIWJCJWRNDKT-ABAIWWIYSA-N 291.753 3.626 30 20 CHED N#CC1(CN[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 484629254 AEVFRFPPUNSDAF-HZPDHXFCSA-N 254.377 3.606 30 20 CHED C=CCC1(C(=O)N[C@@H](C#N)c2ccc(CC)cc2)CCC1 561863630 PESBAMNAYYKUAC-INIZCTEOSA-N 282.387 3.676 30 20 CHED CSCC(C)(C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 810521556 PVYVQJKKELOACP-CYBMUJFWSA-N 298.411 3.800 30 20 CHED C#C[C@H](Nc1nccc(C)c1C#N)c1ccc(Cl)cc1 811861766 NMHPWRDKONEZLI-HNNXBMFYSA-N 281.746 3.702 30 20 CHED Cc1ccc(NN=C2CC[C@H]3CNc4cccc2c43)nc1 814831567 HUAJNTBMWAZENC-LBPRGKRZSA-N 278.359 3.509 30 20 CHED C=CCCCC[C@H](C)NCc1c(CC)nn(C)c1CC 561584986 UNJBXUXJAJVPSV-AWEZNQCLSA-N 277.456 3.769 30 20 CHED CCC(CC)NN=C(C)[C@H]1CCCN1C(=O)OC(C)(C)C 814851796 VGDVDRINAYIUGI-CQSZACIVSA-N 297.443 3.540 30 20 CHED CCCCCCCCS(=O)(=O)Cc1scnc1C 811683120 NRICHSUDAMTGIB-UHFFFAOYSA-N 289.466 3.727 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 819937303 CSGKAAIBAZUNDY-MGPQQGTHSA-N 295.386 3.576 30 20 CHED CCCc1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1 814507378 JTZWCKKXPUMQOF-UHFFFAOYSA-N 273.380 3.653 30 20 CHED N#Cc1ccc(N2CCC(c3cccc(Cl)c3)CC2)cn1 480791647 TVAHVESXASSHHN-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1ccc(Cl)cc1 810540368 KJXAJLLBZQMZGT-NSHDSACASA-N 264.752 3.994 30 20 CHED CC(CCCC(C)C)=NNc1nc(-c2cccnc2)no1 814950062 OODRYLKZKAJTTB-UHFFFAOYSA-N 287.367 3.746 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N(CC)C(C)C 480406164 AYNQJYUTMZNWPK-UHFFFAOYSA-N 274.408 3.915 30 20 CHED C=CCOCC(=O)OCc1sc2ccccc2c1Cl 729651519 IPMPWXGJBIRPTD-UHFFFAOYSA-N 296.775 3.801 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCC[C@@H](F)C2)c1C#N 572516295 OQDIZDNZQYSPCY-ZJUUUORDSA-N 267.735 3.608 30 20 CHED C=C(C)[C@H](N=c1ccc(C#N)c(C)[nH]1)c1ccc(F)c(F)c1 487756474 AAQDMSBHJUJHLF-KRWDZBQOSA-N 299.324 3.691 30 20 CHED C=CCC[C@H](CC)NC[C@@H](CO)c1ccccc1Cl 579101719 HDGOCBIWRQFUAZ-KBPBESRZSA-N 281.827 3.750 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1cccc(C2CCCC2)c1 656566695 SDHXKSLTNBBPQV-KRWDZBQOSA-N 287.403 3.853 30 20 CHED C=CCCCCC[C@H](C)NCc1nc(C(C)C)n[nH]1 824603145 LITSJBZDNNUCKN-ZDUSSCGKSA-N 264.417 3.543 30 20 CHED CC#CCCNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 499005154 WITQZTGALYMNNS-UHFFFAOYSA-N 297.320 3.513 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2)c2c(c1)C[C@@H](C)O2 728438067 NMYVGGUSUJWGMN-LJTDUEICSA-N 294.350 3.915 30 20 CHED C#CCOc1ccc(CNC2CCC(C(F)F)CC2)cc1 824925812 FCICPDGYIQHZQE-UHFFFAOYSA-N 293.357 3.612 30 20 CHED CCCCCCCC(=O)N(O)Cc1ccc(F)cc1 900096267 XVLATDSJSOVZJI-UHFFFAOYSA-N 267.344 3.904 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccccc2C2CC2)nn1 901524832 HZOIOJGTQONTOV-MDZDMXLPSA-N 281.359 3.633 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 498264683 RDMQUSQKSCPQIE-WBTNSWJXSA-N 299.414 3.806 30 20 CHED C=C[C@H](C)ON=C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 496292548 ISOZBJSIQKRFGK-HZSPNIEDSA-N 296.411 3.599 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](c1cccs1)C1CC1 494210608 ABLKCHOPFFKPLJ-DZGCQCFKSA-N 290.432 3.949 30 20 CHED C[C@H](C#N)C(=O)NCC1(C2CCCCC2)CCCCC1 498876894 YBAWOCWPTWDMQF-CQSZACIVSA-N 276.424 3.793 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cc(Cl)c(N)c(Cl)c1 903031793 FOARNVIYLIUDFQ-VIFPVBQESA-N 298.217 3.920 30 20 CHED C=CCC1(N[C@H](C)CCc2ccccc2F)CCOCC1 668551404 MDRCIWVHOHURIK-OAHLLOKOSA-N 291.410 3.862 30 20 CHED N#CCCCCCC(=O)N(O)Cc1ccccc1Cl 904193808 VXJAQBIFLHXDRQ-UHFFFAOYSA-N 280.755 3.532 30 20 CHED N#CC1(CCCCn2cc([N+](=O)[O-])c(C3CC3)n2)CCC1 901537016 XFVUXILGXZOYRH-UHFFFAOYSA-N 288.351 3.533 30 20 CHED Cc1cccc2oc(C(=O)OCCCCC#N)cc12 909552292 AOPHZQJYIQSNLQ-UHFFFAOYSA-N 257.289 3.592 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc(Cl)s2)c1 839383480 KQUVTDBLRJYLLF-UHFFFAOYSA-N 280.736 3.546 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@@H](CC2CC2)C1)c1ccccc1 584073629 IPTVUPCXPCNHJL-FUHWJXTLSA-N 283.415 3.995 30 20 CHED C=CC[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12 735076652 SMFMRFOQAYGWQH-LLVKDONJSA-N 266.348 3.567 30 20 CHED N#CC1(CN[C@@H](Cc2ccccc2Cl)C2CC2)CC1 903106144 MYKZJJBCZORYCX-HNNXBMFYSA-N 274.795 3.554 30 20 CHED CSCC1CCC(=NOCCC(F)(F)F)CC1 834972924 RIQXPDNGCAYBQS-UHFFFAOYSA-N 269.332 3.865 30 20 CHED CCC(C)(C)c1ccc(NC(=O)c2cccc(C#N)n2)cc1 589460067 WAUDHYNPTSQPQM-UHFFFAOYSA-N 293.370 3.893 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc3c(c2)CCO3)c1 734981803 WRYYTRBIGSNJGM-ZZXKWVIFSA-N 282.314 3.965 30 20 CHED C[C@@H](COC(=O)c1ccc(C#N)cc1)c1ccccc1 735124010 JKGOXKGJUVHJJO-ZDUSSCGKSA-N 265.312 3.519 30 20 CHED N#CC1(CN[C@H]2CCSc3ccc(F)cc32)CCC1 903032079 PKWMGKFYWWPTOJ-ZDUSSCGKSA-N 276.380 3.646 30 20 CHED Cc1nc(C#N)c(NN=C(C(C)C)C2CCCCC2)o1 733901354 LOIHXJKGIWJWIK-UHFFFAOYSA-N 274.368 3.859 30 20 CHED CC[C@H](Nc1ncccc1C#N)c1ccccc1OC 733186973 MKMNKPHUESDRER-AWEZNQCLSA-N 267.332 3.525 30 20 CHED C=CCC[C@@H](OC(=O)c1cc(C)n(C(C)C)n1)C1CC1 835244389 WDPXYTFBLCDLTB-OAHLLOKOSA-N 276.380 3.674 30 20 CHED Cc1cc(CNc2ccc(OC(C)(C)C)c(C#N)c2)no1 834636839 XSFJAGLFXQLHIM-UHFFFAOYSA-N 285.347 3.644 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(C(=O)C#CC(C)(C)C)C2CC2)o1 837341092 SROSRFFBFZCGBH-XJKSGUPXSA-N 299.414 3.944 30 20 CHED COc1cc(/C=C/C(=O)c2cncs2)ccc1SC 735792678 ILSWSSULQQGYBG-HWKANZROSA-N 291.397 3.770 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839052621 HKEONRDQQZPTAD-SQWLQELKSA-N 293.407 3.740 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C2CC2)C1 588978206 PQYKBJLWMGCGPW-DYVFJYSZSA-N 254.377 3.741 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(C)(C)C 836818046 AOYKEFHUFJIQHE-LBPRGKRZSA-N 293.798 3.551 30 20 CHED CC(=NNc1ncccn1)c1ccc(-c2ccccc2)cc1 912973278 PZNLMBQDQLZYAP-UHFFFAOYSA-N 288.354 3.980 30 20 CHED CCC#C[C@H](C)N(C)Cc1csc(Br)c1 677048216 QCNSHZGIRZRBJF-JTQLQIEISA-N 286.238 3.744 30 20 CHED C=CCC[C@@H](NC1CCN(CC(F)F)CC1)c1ccco1 671744837 MUEUIZJPXUGSCY-CQSZACIVSA-N 298.377 3.606 30 20 CHED CCOc1ccc(N(C)Cc2ccc(F)cc2C#N)cc1 739922338 IASWREGNXLVXGO-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CC/C(C)=C/C(=O)Nc1sc2c(c1C#N)CCCC2 839214543 WAOVKYGLAUUNEO-CSKARUKUSA-N 274.389 3.793 30 20 CHED Cc1cccc(CN(C)c2snc(Cl)c2C#N)c1 917091275 NHCSLENZXNQEEL-UHFFFAOYSA-N 277.780 3.613 30 20 CHED CCCN(C(=O)C#CC1CC1)[C@@H](CC)c1ccccc1 837371864 HRWUKCIRPKEYIQ-KRWDZBQOSA-N 269.388 3.790 30 20 CHED COc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1F 591839065 PJRZWHNISMAEHB-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED CCCCCCCCC(=O)N1CC[C@@](C)(COC)C1 833543517 NKNRNTUQQKTWSQ-MRXNPFEDSA-N 269.429 3.622 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCCC2(C)C)c1 749900990 ZBXZEFKSIASRKA-AWEZNQCLSA-N 272.417 3.533 30 20 CHED C#CCCCC(=O)NCC1(Cc2cccc(Cl)c2)CC1 837873790 FHNFGFAXDMXQNU-UHFFFAOYSA-N 289.806 3.582 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1ccc(C)cc1C 916288336 XECRRXDUFGVWHC-UHFFFAOYSA-N 274.755 3.583 30 20 CHED Cc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2)c1F 834420268 CYXXDTIVQUJFNA-BQYQJAHWSA-N 272.323 3.808 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(F)c(Cl)cc2F)C1 839052442 GPQXDPJCQOUFTE-RKDXNWHRSA-N 299.704 3.857 30 20 CHED CCCCN(C[C@H](O)CC(C)(C)C#N)C1CCCCC1 598586271 DJGSLAAZOCDCNJ-MRXNPFEDSA-N 280.456 3.722 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)N1CCC[C@@H](CC#N)C1 596857939 CKSUSNRMBWPJHX-ZDUSSCGKSA-N 296.374 3.634 30 20 CHED CC(C)CC(CC(C)C)C(=O)N1CCC[C@@H](CC#N)C1 597901262 UDCMBVIGHJPKPF-HNNXBMFYSA-N 278.440 3.847 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(NC2CCCCC2)cc1 593444076 LRYAIKUGUSIFAF-CYBMUJFWSA-N 285.391 3.919 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ccc([N+](=O)[O-])cn1 915968854 HASOIGFLEOCTTO-JTQLQIEISA-N 264.329 3.604 30 20 CHED C=CCN(C(=O)Nc1ccc(C2CC2)cc1)C1CC1 678561639 QLDQDGPKSBMVNB-UHFFFAOYSA-N 256.349 3.746 30 20 CHED CCCOc1ccc(C=NNc2ccccc2)cc1 916246079 YQVVRWWXZDMKHO-UHFFFAOYSA-N 254.333 3.921 30 20 CHED CC[C@H](CC#N)NCc1nc(-c2ccc(C(C)C)cc2)no1 594009554 CDNMFRXXURHZLE-OAHLLOKOSA-N 298.390 3.642 30 20 CHED N#Cc1ncccc1S[C@H]1CCc2ccccc2C1 848438095 HCXGMDIBSRCLAQ-AWEZNQCLSA-N 266.369 3.603 30 20 CHED N#C[C@H](C(=O)C1CC2(CCC2)C1)c1ccc2ccccc2n1 842681393 DGNHLICLNVUSAZ-HNNXBMFYSA-N 290.366 3.991 30 20 CHED CC(C)N(CCSCC(C)(C)CC#N)C(C)C 849891003 SJHMFWXBFHPXFK-UHFFFAOYSA-N 256.459 3.778 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 743083748 BTJYCMXNHAFDPW-YQQAZPJKSA-N 282.387 3.758 30 20 CHED Cc1nn(C)c(C)c1C=NNc1ccc(Cl)cc1Cl 916337866 CWEXALSUGGITBU-UHFFFAOYSA-N 297.189 3.790 30 20 CHED N#Cc1cc(-c2ccc(C[C@@H](O)C3CC3)cc2)ccc1F 593955068 XLDIZVBLMMLHPU-GOSISDBHSA-N 281.330 3.678 30 20 CHED C[C@@H](C#N)N(Cc1ccccc1Oc1cccnc1)C1CC1 595721902 XHUQEFWMIZPASZ-AWEZNQCLSA-N 293.370 3.750 30 20 CHED C[C@@H](C#N)N(C(=O)CCCCCc1cccs1)C1CC1 598129028 RNFRQCKLIRPQJS-ZDUSSCGKSA-N 290.432 3.754 30 20 CHED N#Cc1csc(C(=O)OCCC2(C#N)CCCCC2)c1 840272702 TYVZSRHBUSGVKU-UHFFFAOYSA-N 288.372 3.641 30 20 CHED COc1cc(C)nc(NN=C2CC[C@@H]3CCCC[C@H]3C2)n1 747634316 DDZHCDMYYGCPSL-STQMWFEESA-N 288.395 3.552 30 20 CHED N#CC1(c2ccc(-c3cncnc3)cc2)CCCCC1 592989403 VEOCMUVCGKWTKZ-UHFFFAOYSA-N 263.344 3.869 30 20 CHED C=C(C)CONC(=O)N(C)[C@H](C)c1cc2ccccc2o1 845591089 IDMSCBKHIXQZTG-GFCCVEGCSA-N 288.347 3.643 30 20 CHED COCC(CC(C)(C)C)=NNc1ncnc2sccc12 844569462 LUROILDDYVYHIT-UHFFFAOYSA-N 292.408 3.542 30 20 CHED C=CCCN(C)C(=O)Nc1cccnc1Oc1ccccc1 682414780 NEGIPKYVWWMOLO-UHFFFAOYSA-N 297.358 3.914 30 20 CHED CCc1ccc(N(CC(C)C)C(=O)[C@@H](C#N)CC)cc1 846054664 ONHOMSRGYKACSY-OAHLLOKOSA-N 272.392 3.788 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H](O)c1cccc2ccccc12 926692162 GGVWTBUBACOTKG-KBXCAEBGSA-N 296.414 3.791 30 20 CHED Cc1cc(NC(=O)/C=C2\CC[C@H](C)C2)c(C#N)cc1N(C)C 841240315 PWRVFLBOLKPOPL-IGVUGNCQSA-N 297.402 3.618 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)C1CCCCC1 929922828 SSMIKOSXXDWKRD-UHFFFAOYSA-N 270.376 3.662 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(C)ccc1OC 759012624 YOLSTHPKCKYIQI-UHFFFAOYSA-N 274.360 3.815 30 20 CHED CO[C@H]1Cc2ccc(N[C@@H](C)CC(C)(C)C#N)cc2C1 926164323 GKKCTVGZSKUAPQ-LRDDRELGSA-N 272.392 3.540 30 20 CHED CCC(CC)NN=Cc1ccc(OC(F)F)c(F)c1 754704847 ISMANQCUUQKPCW-UHFFFAOYSA-N 274.286 3.539 30 20 CHED Fc1ccc(C=NNCc2cccc(Cl)c2)cc1F 756827484 OAQQVWKPUWDIFN-UHFFFAOYSA-N 280.705 3.742 30 20 CHED COc1cc(F)cc(NN=C2CCc3cc(F)ccc32)c1 759211011 XDMLZFHCOHEUAX-UHFFFAOYSA-N 288.297 3.736 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc([C@H]2CCOC2)cc1 926491153 AMMXOZYHPKZAOB-HIFRSBDPSA-N 272.392 3.931 30 20 CHED C=CCC[C@H](NCc1cc(C2CC2)nn1C)c1ccco1 927101789 OPDLGSFINVUAGX-HNNXBMFYSA-N 285.391 3.688 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 851203892 GXMOAMKPJULOJW-TUKIKUTGSA-N 289.350 3.801 30 20 CHED C=C(C)[C@@H](N[C@H](C)CCCCO)c1ccc(F)c(F)c1 681401452 UWZBJDZZEQVPNP-MLGOLLRUSA-N 283.362 3.723 30 20 CHED C#CCCCC/N=C\c1cc(Cl)cc(Cl)c1O 758357846 BWSUGFBDUUGPJU-SXGWCWSVSA-N 270.159 3.921 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCc2ccccc21 929742705 ABCWCWYLNYHIML-BBRMVZONSA-N 257.377 3.735 30 20 CHED C=C(Cl)CN1CCC2(C=Cc3ccccc3O2)CC1 852730345 DJZIHLOMAFKWSJ-UHFFFAOYSA-N 275.779 3.679 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1 928043313 YTKCRQHKVTVLQH-LYHPXFHOSA-N 269.388 3.507 30 20 CHED C=CCC(CC=C)C(=O)O[C@H]1CCCc2ccccc2C1=O 759006186 CFIZUORBKFYRLD-KRWDZBQOSA-N 298.382 3.886 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1c(C)cc(Cl)cc1C 921146075 HGKNGQVFVXYGPW-GFCCVEGCSA-N 282.767 3.843 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)c1c(C)noc1C)c1ccccc1 681661145 PRECHZQONYDTII-MLGOLLRUSA-N 298.386 3.829 30 20 CHED C#CC(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@H](C)C1 754029286 JEHOOYRFHVBVRQ-YEWWUXTCSA-N 269.388 3.612 30 20 CHED C#CCN(Cc1ncc(CC)s1)[C@H]1CCc2ccccc21 753527699 QZYBJWVZMLCSDB-KRWDZBQOSA-N 296.439 3.828 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)[C@H](C)c1ccccc1 756842043 JIFZTGCREVUBBJ-NSHDSACASA-N 273.767 3.748 30 20 CHED Cn1ncc2c1CC/C(=C/c1ccccc1C1CC1)C2=O 751031323 HJSOUNMKBHMYAL-UVTDQMKNSA-N 278.355 3.510 30 20 CHED C=CCN(CC(=O)c1c(C)[nH]c2ccccc12)C(C)C 920411977 NNFNECNOJFRLHZ-UHFFFAOYSA-N 270.376 3.555 30 20 CHED C/C(=C/C(=O)N[C@@](C)(C#N)C(C)(C)C)c1cccs1 857602461 IGIMPMJECRJPOK-KLQCNHIUSA-N 276.405 3.596 30 20 CHED CCC(CC)NN=Cc1c[nH]nc1-c1cccc(Cl)c1 755730284 HPMDUDUFXVPITN-UHFFFAOYSA-N 290.798 3.842 30 20 CHED C=C[C@@H](OC(=O)CCC(F)(F)F)c1ccccc1 851452703 VVCAXAGAXLTCNI-LLVKDONJSA-N 258.239 3.799 30 20 CHED CCCC(CCC)C(=O)OCc1cccc(C#N)c1 753431705 MCFHXJYKLLFYDL-UHFFFAOYSA-N 259.349 3.818 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2ccccn2)cc1 757939431 QMFGJOVWOXUPRB-UHFFFAOYSA-N 280.327 3.616 30 20 CHED CCc1ncc(C=NNc2cccc(Cl)c2F)s1 752165395 WUNUACOXGCDUPW-UHFFFAOYSA-N 283.759 3.944 30 20 CHED CCOc1ccc(NC(=O)C2(C#N)CCCC2)cc1Cl 46667683 WJDRSHKNHOSPPP-UHFFFAOYSA-N 292.766 3.761 30 20 CHED C#CCNC(=S)Nc1ccc(SC(C)(C)C)cc1C 758219746 OOEPTRWZRLPOBO-UHFFFAOYSA-N 292.473 3.805 30 20 CHED C[C@@H](C(=O)OCc1cccc(C#N)c1F)c1ccccc1 751983732 OXWBXLXPOKADOT-GFCCVEGCSA-N 283.302 3.544 30 20 CHED N#Cc1ccc(NN=C[C@H]2CCOc3ccccc32)cc1 752159474 DBQAGUMQOSZLRZ-CQSZACIVSA-N 277.327 3.522 30 20 CHED N#Cc1cccc(NN=Cc2coc(-c3ccccc3)n2)c1 755625485 RVEXXMQOAVVBJE-UHFFFAOYSA-N 288.310 3.659 30 20 CHED C#CCCOc1ccc(CN[C@H](C)CC(C)C)cc1 752097619 ATCJOFRBIJIRDI-OAHLLOKOSA-N 259.393 3.613 30 20 CHED Clc1cc(NN=Cc2cnc(C3CC3)o2)cc(Cl)n1 863118572 BDSILGBLNXCLMV-UHFFFAOYSA-N 297.145 3.700 30 20 CHED N#Cc1c(F)ccc(/C=C\C(=O)c2ccncc2)c1Cl 761474322 KQJXKXIWYUDJMX-RQOWECAXSA-N 286.693 3.642 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(F)c(F)c1 767363035 QGWJKZBUOODUQL-UHFFFAOYSA-N 285.297 3.759 30 20 CHED C[C@H](CC(=O)OCC1(C#N)CCC1)CC(C)(C)C 768096447 GZVWDRHNESXHLS-GFCCVEGCSA-N 251.370 3.686 30 20 CHED CC#CCCOC(=O)c1cc(SC)ccc1Cl 760294270 FHGOUVFOWZITMW-UHFFFAOYSA-N 268.765 3.632 30 20 CHED CC(C)N(CCS[C@H](C#N)Cc1ccccc1)C(C)C 762206280 SYMSFTSDVYMEJI-KRWDZBQOSA-N 290.476 3.973 30 20 CHED COCCC1(C/N=C\c2cc(Cl)ccc2O)CCC1 760211233 NJYWQAVSXUHMCY-YVLHZVERSA-N 281.783 3.671 30 20 CHED CCCCCCCN1CCC([C@](C)(O)C(F)(F)F)CC1 767903925 BEMZFKRYKOEXLU-AWEZNQCLSA-N 295.389 3.982 30 20 CHED C=CCCCc1nc([C@H]2CCc3ccccc3C2)no1 762243760 KXXSFAAHXKPHEC-HNNXBMFYSA-N 268.360 3.851 30 20 CHED C#CCCOc1ccc(CN(C)C(C)(C)CC)cc1 769382858 YDKXPAXVSWWDET-UHFFFAOYSA-N 259.393 3.709 30 20 CHED Cc1c(C(=O)OC2(C#N)CCC2)sc2ccc(F)cc12 762094419 JINXQBVZVNHPAM-UHFFFAOYSA-N 289.331 3.952 30 20 CHED C#CC[C@H](CCOC)N[C@H](C)CCc1c[nH]c2ccccc12 877661091 XCBWTTIRLVSAHY-NVXWUHKLSA-N 298.430 3.507 30 20 CHED C#CCOc1ccccc1NCc1ccc(F)c(F)c1 774374679 NASXJYTXOSXLLV-UHFFFAOYSA-N 273.282 3.589 30 20 CHED CC#CCCCC(=O)N(c1cccc(C#N)c1)C1CCC1 1119487099 HHTUODPBNFLPSC-UHFFFAOYSA-N 280.371 3.637 30 20 CHED CCc1ccc([C@H](C)C(=O)OCCC(C)(C)C#N)cc1 776383228 JAFZKWMUBUKKOH-ZDUSSCGKSA-N 273.376 3.836 30 20 CHED C[C@@H](C#N)COC(=O)c1ccccc1Oc1ccccc1 770936741 KNKCZLMRFPYIMI-ZDUSSCGKSA-N 281.311 3.795 30 20 CHED Cc1cc(C=NNc2cncc(Cl)n2)ccc1Cl 779773641 RMCQIZDSJHRMJI-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(C#N)cc2F)c1 772805087 FPVJCZIQVLCALY-HJWRWDBZSA-N 295.313 3.992 30 20 CHED Cc1ccc(C)c(NC(=O)Cc2ccccc2CC#N)c1 776725794 OUOOXPDUENDCRI-UHFFFAOYSA-N 278.355 3.551 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccccc1 778423991 HNQVZWWBMWRTLR-QWHCGFSZSA-N 298.213 3.656 30 20 CHED C=C(CC)COC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 773515938 PHZFRLMWNIMEQQ-WDEREUQCSA-N 266.287 3.578 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](F)Cc1ccccc1 778034330 MYXLLCDDEXSLKB-HNNXBMFYSA-N 290.382 3.546 30 20 CHED CCNC(=O)Nc1ccc(C)c(N=Cc2ccccc2O)c1 775236143 ZEJLAYMREYSYJJ-UHFFFAOYSA-N 297.358 3.593 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCC[C@@H]1OC 775247211 ZTGIKVQAVUPZAB-CABCVRRESA-N 269.429 3.668 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@H](C)CC1)C(C)C 785946127 DPKGRIMUJDPVML-UONOGXRCSA-N 252.402 3.561 30 20 CHED C=C1CN(C(=O)c2sc(C3CCCCC3)nc2C)C1 898699539 MPTHSWHOXSTQMI-UHFFFAOYSA-N 276.405 3.511 30 20 CHED CCCCCCCCC(=O)N1CCc2ncsc2C1 782927222 QURXXGIHPNZHME-UHFFFAOYSA-N 280.437 3.778 30 20 CHED COc1ccc(NN=C(C)c2cc(C)c(C)cc2C)nc1 780276975 RHBQLGXHYOWMFB-UHFFFAOYSA-N 283.375 3.852 30 20 CHED C[C@@H](CC(=O)Nc1cc(C#N)c(F)cc1F)c1ccco1 1132470949 YDDDOCNLZDLKRS-VIFPVBQESA-N 290.269 3.562 30 20 CHED C#CCn1ccc(CN(CC)CC[C@H](C)c2ccccc2)n1 789762247 UKHPTLIBSVKYBV-KRWDZBQOSA-N 295.430 3.532 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(Cl)c(C)c2)n(C)n1 789159656 PDZQVPRQLGDLIH-FNORWQNLSA-N 274.751 3.586 30 20 CHED C=C(Cl)CN1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 781947583 MPSDGTJDFBPNOH-SMDDNHRTSA-N 286.202 3.854 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ncc(C)cc2C)cc1 780915502 MYJNRSPGHDYMGU-UHFFFAOYSA-N 293.370 3.567 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N(CCC#N)CC(C)C 795748787 HGSVQOUDZWNYEL-UHFFFAOYSA-N 276.380 3.723 30 20 CHED C=CC1(OC(=O)CCc2nc(C)c(-c3ccccc3)o2)CC1 893366755 UOTVXEIQJXJIST-UHFFFAOYSA-N 297.354 3.844 30 20 CHED C=C1CC(c2noc(CSc3nc4ccccc4o3)n2)C1 896891487 VVIAJJMIQXNPTQ-UHFFFAOYSA-N 299.355 3.937 30 20 CHED C=C(C)CCc1noc(CCCc2ccsc2)n1 795769581 QWNHQJMVWCJEBY-UHFFFAOYSA-N 262.378 3.815 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(C)c(C)o2)c1 799895797 DRGLYBQDMCMRHL-BQYQJAHWSA-N 256.301 3.801 30 20 CHED CCCCCCCCCC(=O)N(CC#N)C1CC1 706732702 OCMYAMYYHFRPKI-UHFFFAOYSA-N 250.386 3.642 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1cccc(Cl)c1Cl 794701663 NHRNYGJJPNUTEC-SREVYHEPSA-N 295.169 3.931 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1oc2ccccc2c1C 557539285 KCWGYXPSAUFJJK-UONOGXRCSA-N 273.376 3.576 30 20 CHED COc1ccc(C=NNc2ccccc2)c(Cl)c1 794729600 GDUGAHTYRYQRIC-UHFFFAOYSA-N 260.724 3.795 30 20 CHED FCC[C@@H]1CCCC1=NNc1c(F)cccc1F 794908449 KBWICHDIWJZZRI-VIFPVBQESA-N 256.271 3.892 30 20 CHED CCCC(CC)=NNc1cccc(F)c1[N+](=O)[O-] 790306388 HGPVERAOHQADOK-UHFFFAOYSA-N 253.277 3.712 30 20 CHED CCOCCON=C(C)Cc1ccccc1C(F)(F)F 794859671 ZTLYVRXFPWPTRP-UHFFFAOYSA-N 289.297 3.677 30 20 CHED CC[C@H](C)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 790183218 JUXRPIPSYHTBFK-NSHDSACASA-N 287.319 3.577 30 20 CHED Cc1nc(N[C@H]2CCC[C@H](F)C2)c(Cl)cc1C#N 591956178 VWVRSSILPNPPTG-QWRGUYRKSA-N 267.735 3.608 30 20 CHED Fc1ccc(/C=C/C=NNCCC(F)(F)F)c(F)c1 794547167 ZSBGLCACZUSYJH-RNQMDFJESA-N 278.224 3.506 30 20 CHED C[C@H](CC(C)(C)C#N)NCCSc1ccccc1 695791698 PEGBLGQLJQZDAV-CYBMUJFWSA-N 262.422 3.697 30 20 CHED C=C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl 785996901 PJHXMTVYMUOGQC-LBPRGKRZSA-N 280.755 3.789 30 20 CHED C[C@H]1CCC[C@H](CN2CCN(c3ccccc3C#N)CC2)C1 1307446324 PNZVMKUFCROPBR-IRXDYDNUSA-N 297.446 3.507 30 20 CHED C=CCSc1ccccc1C(=O)N1CC2CCC1CC2 1324195919 RPBHMKQXELVVGE-UHFFFAOYSA-N 287.428 3.979 30 20 CHED N#CCc1cccc(N[C@H]2CCC[C@H]2Cc2ccccc2)n1 1320358997 CBWCBEUUUFKGBB-WMZOPIPTSA-N 291.398 3.971 30 20 CHED C=CCC(CC=C)c1nnc(Cc2cccs2)o1 1322545842 VSOOOJKCKXSZPC-UHFFFAOYSA-N 260.362 3.958 30 20 CHED C[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccc(F)c(F)c1 1321189406 IPGABVABNRLAFU-LLVKDONJSA-N 295.329 3.941 30 20 CHED C=CCCCCCN(C)Cn1nc(C)nc1-c1ccccc1 1322011185 DNZISZGXPUEZIG-UHFFFAOYSA-N 298.434 3.889 30 20 CHED C=CCC[C@H](NCc1cccc(OCC#N)c1)c1ccco1 1323560645 OIBIDBQLIKWHAU-KRWDZBQOSA-N 296.370 3.979 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2c(F)cccc2F)o1 1342728254 LNQUFSVNDVPRKL-NSHDSACASA-N 293.313 3.515 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2cccc(CC#N)n2)cc1 1255097076 ZQNOTSYHGGMQQK-UHFFFAOYSA-N 293.414 3.870 30 20 CHED C=C1CCN(C(=O)Nc2ccc3[nH]c(C)cc3c2)CC1 1332698490 CNNYZYBESHTXAM-UHFFFAOYSA-N 269.348 3.660 30 20 CHED C=C(C)CCC(=O)N[C@H](c1ncccc1C)C(C)C 1338402655 DERHSYVXDVYCKC-HNNXBMFYSA-N 260.381 3.560 30 20 CHED Cc1c(C(=O)OCc2ccc(C#N)s2)ccn1C(C)C 1332983935 IARPHPXUGYTTGE-UHFFFAOYSA-N 288.372 3.668 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2cccc(CC#N)n2)c1 1261208185 JNEKIBFOPWSHLJ-HNNXBMFYSA-N 279.387 3.808 30 20 CHED C[C@@H]1CCC[C@@]1(C)c1nnc(-c2cccc(C#N)c2)o1 1261575445 ILNQXKPZYMHIKR-BDJLRTHQSA-N 267.332 3.686 30 20 CHED CCCC[C@@H](C(=O)Nc1cccc(C#N)c1)C(C)C 1351937034 MRBNZGYQXMEJHS-OAHLLOKOSA-N 258.365 3.959 30 20 CHED COc1ccc(NC(=O)c2cc3ccccc3o2)cc1C#N 1438718315 NFQOBKHEUCTMNE-UHFFFAOYSA-N 292.294 3.565 30 20 CHED C=C(C)CCC(=O)Nc1cccc(-c2nc(C)co2)c1 1516738309 CKADYUKXBXXSDF-UHFFFAOYSA-N 270.332 3.945 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 1519686451 HKKQBLCEZKLUCJ-ZBFHGGJFSA-N 257.377 3.808 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCc3cc(C#N)ccc32)CC1 1528623464 XFOKFBDGOPBMQI-WKILWMFISA-N 296.414 3.910 30 20 CHED O=C(O)c1ccc(NN=C2CCCC23CC3)cc1Cl 1602383957 WCUYCGMVYSLTBV-UHFFFAOYSA-N 278.739 3.770 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(F)c2)c(Cl)c1 225779989 QZIQFHRZCAMVDF-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc([C@H](C)C(=O)O)c1 1604123844 MWNQUWNFKHKENH-RYUDHWBXSA-N 274.364 3.615 30 20 CHED Cc1cc(OCc2cc(C(=O)O)sc2C)ccc1C#N 1600290180 JGBIRDJJLNBQQO-UHFFFAOYSA-N 287.340 3.514 30 20 CHED CC[C@H](CC#N)NCc1cc(Br)c(C)s1 227827669 MSDAGSAJIHKAOA-SECBINFHSA-N 287.226 3.601 30 20 CHED N#Cc1cc(N[C@H](C2CCCCC2)C2CCC2)ncn1 1559220606 IPXFFLMGQUEHFE-MRXNPFEDSA-N 270.380 3.509 30 20 CHED C[C@@H]1CCCC[C@H]1CN(C)Cc1ccc(C#N)cc1 1560681675 RNFPVTUEPJLUAA-PBHICJAKSA-N 256.393 3.816 30 20 CHED CCc1csc(Sc2ccc(Cl)c(C#N)n2)n1 1642998207 AKVNJJQGJUKYPA-UHFFFAOYSA-N 281.793 3.777 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(F)cc1 5080897 ISLMFUGUMWAREC-FLIBITNWSA-N 256.276 3.730 30 20 CHED CNc1cc(Cl)ccc1C(=O)Nc1cccc(CC#N)c1 1640868470 PRGHSNFGQOBJCC-UHFFFAOYSA-N 299.761 3.700 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2cccc(F)c2C#N)C1 1642879911 ZLMPOZQTOGTAMT-LBPRGKRZSA-N 288.366 3.644 30 20 CHED Cc1ccnc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c1C#N 1655219668 MFSYFIVUWFDTCY-GXTWGEPZSA-N 257.381 3.888 30 20 CHED COc1cc(CN2CCCc3ccc(C)cc32)ccc1C#N 1652161449 MGKCZEHSTFJZGM-UHFFFAOYSA-N 292.382 3.828 30 20 CHED N#Cc1ccc(-c2nc([C@H]3CCCCS3)no2)cc1 231028849 MUMWVBMIYFLRJW-GFCCVEGCSA-N 271.345 3.566 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)OCC1CCCCC1 1653553660 ZEXGYVXJWFGZEO-UHFFFAOYSA-N 286.375 3.707 30 20 CHED CCCCCCC[C@@H](C)N[C@H]1CC[C@@H](CC(=O)O)C1 1595704845 JBNCFRBBJCSHGQ-KFWWJZLASA-N 269.429 3.968 30 20 CHED CCCCCCCc1nc(-c2cc(C(=O)O)co2)no1 1595709063 RUXPRFBSXMHTSJ-UHFFFAOYSA-N 278.308 3.541 30 20 CHED C[C@@H](CC=NNCc1ccc(-c2ccccc2)cc1)C(=O)O 1592470765 LPRNDQBLKNXWKF-AWEZNQCLSA-N 296.370 3.540 30 20 CHED CCCCCCCN1CC[C@H](C(=O)O)[C@H]2CCCC[C@@H]21 1595704708 WVUYJFJZOGWXTC-PMPSAXMXSA-N 281.440 3.922 30 20 CHED Cc1ccc(C=NNc2ccc(C(=O)O)cc2)c(C)c1C 1776013373 AEKLLBVATJXXJF-UHFFFAOYSA-N 282.343 3.756 30 20 CHED C=CCCC1(C(=O)O)CCN(CCC2CCCC2)CC1 1776173218 SPOFWUUNKHSEJA-UHFFFAOYSA-N 279.424 3.700 30 20 CHED C[C@H](C#N)OC(=O)c1ccc(-c2nc3ccccc3s2)o1 5583693 VGKIVPMJHPRYCW-SECBINFHSA-N 298.323 3.625 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1[N+](=O)[O-] 14176714 LFKUHMIOYQLLPN-SOFGYWHQSA-N 292.294 3.671 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2[nH]c(C)cc2C)cc1 150966617 FFBXAAPNQMBFGD-UHFFFAOYSA-N 281.359 3.500 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2cc(C(C)C)no2)cc1 169233998 SATZFZYBKJXELQ-CQSZACIVSA-N 298.386 3.661 30 20 CHED CCCCc1noc(CSc2cccc(C#N)c2)n1 158728445 PXYCMQHDCZZMOI-UHFFFAOYSA-N 273.361 3.576 30 20 CHED O=C(/C=C/c1cccc(Cl)c1F)c1cncc(F)c1 160720564 CZLCOLKPJAVFCO-SNAWJCMRSA-N 279.673 3.909 30 20 CHED C/C=C(\C=C\C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)CC 164605628 ZWBUUIKJPRYYTB-ZMBFRPDPSA-N 288.778 3.933 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccccc1 45935107 MFOWCNZMDCSTNS-UHFFFAOYSA-N 251.329 3.515 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H]1c1cccs1 151916805 CPEDUYAIUPGPGI-OAHLLOKOSA-N 298.411 3.965 30 20 CHED CC(C)n1cc(C#N)c(NC(=O)CC2(C)CCCCC2)n1 153211291 IIQRDDKZQQVHOC-UHFFFAOYSA-N 288.395 3.635 30 20 CHED CCCCCNC(=O)CSc1ccc(C#N)cc1Cl 154184112 XXQOWWYXUDZJEZ-UHFFFAOYSA-N 296.823 3.610 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Cl)cc1-n1cccc1 157399913 XTKKHYHVNICCBB-UHFFFAOYSA-N 289.766 3.780 30 20 CHED CC[C@H](/N=C/c1ccccc1O)c1c(C)noc1C 154802494 HQINAUURIRFYFN-WFSQQTBHSA-N 258.321 3.567 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC=CC1 154875438 KOJJHCLBAQDFGS-UHFFFAOYSA-N 296.823 3.818 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)[nH]1 159214522 LEIKBQNAVZYJGO-HNNXBMFYSA-N 299.761 3.517 30 20 CHED CS[C@@H]1CC[C@@H](Nc2cccc(Cl)c2C#N)C1 235109057 RICXRMUECAFOGP-NXEZZACHSA-N 266.797 3.908 30 20 CHED C[C@@H]1CC[C@@H](NCc2cccc(OCC#N)c2)C[C@H]1C 251943831 WEEVIXBYFOUEKB-IIAWOOMASA-N 272.392 3.503 30 20 CHED N#Cc1ccc(CNC2CCC(C(F)(F)F)CC2)cc1 37092516 BWAUKDNHJNPYIW-UHFFFAOYSA-N 282.309 3.769 30 20 CHED CC[C@](C)(CNc1cccc(OCCCC#N)c1)OC 319267297 GUTCPPLFLJBSQX-MRXNPFEDSA-N 276.380 3.596 30 20 CHED C#C[C@@H](NCc1ccc2nc(C)ccc2c1)C(C)(C)C 702292207 BCCSTSFQXCWGQJ-QGZVFWFLSA-N 266.388 3.681 30 20 CHED CC1(C)[C@H](NCC2(CC#N)CC2)C[C@H]1OCc1ccccc1 430738749 LIYQLYXEVQMQRW-IAGOWNOFSA-N 298.430 3.654 30 20 CHED N#Cc1cc(N2CCC[C@@H](F)C2)ccc1C(F)(F)F 357678842 GBQOKJVQYAVEEE-SNVBAGLBSA-N 272.245 3.515 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 358066216 NNLVPARDNWVOJZ-ZYHUDNBSSA-N 296.823 3.629 30 20 CHED C=CC(C)(C)CNCc1cccc(OC)c1OC(F)F 384839620 IBPBGQWPXKBWJL-UHFFFAOYSA-N 285.334 3.598 30 20 CHED N#Cc1cc(F)cc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 718618183 MARAZYVWIUDKAE-VBCDNDGESA-N 270.351 3.934 30 20 CHED CSCC1CCC(Nc2ccc(C#N)cc2)CC1 395340667 MCJLDYMNGSZQCA-UHFFFAOYSA-N 260.406 3.892 30 20 CHED C[C@]1(C(=O)Nc2ccc(C#N)cc2Cl)CC=CCC1 410590528 OGISNBJQONQRMM-HNNXBMFYSA-N 274.751 3.897 30 20 CHED N#Cc1c(NC(=O)CC2=CCCCC2)sc2c1CCC2 171755004 CQJPXRXLADYDNG-UHFFFAOYSA-N 286.400 3.937 30 20 CHED COc1cc(C)ccc1OCc1ccc(F)cc1C#N 103135613 BGXKNYQSGSPQOI-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C=CCCCOc1ccc(C(=O)N(CC)CC)cc1 174173641 HVZUKALYAKFDGB-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 113690018 FBZJIYNTHXHNTB-LLVKDONJSA-N 282.343 3.506 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(F)c(F)c2)c1 103028355 AJQFLJABAJYARF-UHFFFAOYSA-N 285.293 3.613 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@H](CC)CC2)c1 117440092 OZVIGXULEBLWQZ-AWEZNQCLSA-N 270.376 3.712 30 20 CHED N#Cc1ccccc1CSc1ccccc1C#N 172682578 MYENLDIBGYASQP-UHFFFAOYSA-N 250.326 3.722 30 20 CHED C[C@@H](NCCCSCC#N)c1ccc(F)cc1Cl 179562884 WKOFLAWGJNQWME-SNVBAGLBSA-N 286.803 3.777 30 20 CHED CS[C@@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 66800634 LSJGPPXAZOQPLI-QWRGUYRKSA-N 294.445 3.771 30 20 CHED N#Cc1ccc(CN[C@@H](Cc2ccccc2)C2CC2)s1 176973002 SOTKIHQUEITVKU-KRWDZBQOSA-N 282.412 3.731 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1Cl)c1cnccn1 115962287 SENZDDQGBFYQNH-DUXPYHPUSA-N 279.126 3.680 30 20 CHED Cc1ccc(Cl)c2ccc(NC[C@@H](C)C#N)nc12 302060613 SSHRMMBHGJFDGG-VIFPVBQESA-N 259.740 3.768 30 20 CHED Cc1cnc(S[C@@H](C)c2ccc(C#N)cc2)nc1 172319698 JGMGHZAMCSHKNH-NSHDSACASA-N 255.346 3.510 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNc1ncccc1C#N 302726036 RXZPSWRBPVIIHV-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H]1c1ccccc1Cl 174099597 QJHZURGEIDXLCF-OAHLLOKOSA-N 290.794 3.600 30 20 CHED Cc1cc(F)cc2c1CN(c1ccc(F)cc1C#N)CC2 409671269 VDOMRFZNOSIUDI-UHFFFAOYSA-N 284.309 3.708 30 20 CHED N#Cc1cccc(CNCc2coc(-c3ccccc3)n2)c1 174475502 NGPJOZGTAITTJZ-UHFFFAOYSA-N 289.338 3.503 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H](c2cccnc2)C(C)C)cc1 304808256 HLBBDDMHHQNOJK-QGZVFWFLSA-N 296.418 3.556 30 20 CHED CC[C@H](c1ccccc1)[S@@](=O)CCC(C)(C)C#N 123532380 RLUVBKDDRUXFOG-RDTXWAMCSA-N 263.406 3.826 30 20 CHED COc1c(C)cnc(CSc2cccc(C#N)c2)c1C 177096839 OLZJQBDBXPHWIJ-UHFFFAOYSA-N 284.384 3.871 30 20 CHED C#CCN(Cc1cnc(C)s1)[C@H]1CCc2ccccc21 128043919 LEFQLRMJAPHLGB-KRWDZBQOSA-N 282.412 3.574 30 20 CHED CCOc1ccc([C@H]2CCCN2c2cccc(C#N)n2)cc1 301815470 DCGJCWQMENLPOB-QGZVFWFLSA-N 293.370 3.693 30 20 CHED CCO[C@@H]1C[C@H](N(C)CCCC(C)(C)C#N)C12CCC2 120834671 UNZMNQGEDNKGQO-LSDHHAIUSA-N 278.440 3.596 30 20 CHED C[C@H](Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C#N)c1 37299186 YMMTXXBNRNINHR-JTQLQIEISA-N 285.278 3.779 30 20 CHED C=CCCCCN(C)CC(=O)Nc1ccccc1SC 519077345 ZDAPKEDHQWXBGC-UHFFFAOYSA-N 292.448 3.635 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@@H](C)CC 120251547 JRJQVONDHHOWPS-GJZGRUSLSA-N 299.418 3.690 30 20 CHED C[C@H](NC(=O)C(C)(C)C#N)C1(c2ccccc2)CCCC1 187375101 YLHZJPMDWQTFJG-AWEZNQCLSA-N 284.403 3.553 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccccc1Cl 127123213 MPVUSWIAVIUSPW-HZMBPMFUSA-N 296.823 3.629 30 20 CHED C=C[C@@H](C)N[C@H]1CCc2c(F)ccc(Br)c21 126900822 UCXUHMDRBSCPGJ-PELKAZGASA-N 284.172 3.740 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CCC[C@H]1C 185908137 OOAPBQBMFMFRCW-QAPCUYQASA-N 296.414 3.899 30 20 CHED C[C@@H](CCC(=O)OCC1(C#N)CCC1)c1ccccc1 183861658 LLQIJXMKDWNSPM-AWEZNQCLSA-N 271.360 3.807 30 20 CHED N#CCN(C(=O)c1ccc(F)c2ccccc12)C1CCCC1 319171062 IYWQKMDDDKFBMK-UHFFFAOYSA-N 296.345 3.887 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 180423867 XCCPWBJKXONQDS-RYUDHWBXSA-N 293.794 3.630 30 20 CHED CCc1cc(NCc2ccc(C#N)cc2OC)ccc1F 506297705 MFKRPODLMRKJNK-UHFFFAOYSA-N 284.334 3.880 30 20 CHED C[C@@H](CCc1cccc(C(F)(F)F)c1)NC[C@@H](C)C#N 185573787 STGCXALGOUCPQZ-RYUDHWBXSA-N 284.325 3.776 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](C)Cc1cccs1 188452658 GXRCZVQOGNCLOJ-SWLSCSKDSA-N 265.422 3.645 30 20 CHED Cc1cccc(NC(=O)NCc2cccc(C#N)c2)c1Cl 72580340 DTMDFSHDVOZDKH-UHFFFAOYSA-N 299.761 3.842 30 20 CHED N#CCCSCc1c(F)ccc(Br)c1F 413010223 FYZSVDHKNSLTQM-UHFFFAOYSA-N 292.148 3.874 30 20 CHED C=C[C@H](CC(=O)N(CCC)C1CC1)c1ccccc1 129620398 LUZUTDKTGIAGMY-CQSZACIVSA-N 257.377 3.747 30 20 CHED Cn1c([C@@H](C#N)C(=O)C2=CCCCCC2)nc2ccccc21 122680325 CYFDQFSLHRUIKR-AWEZNQCLSA-N 293.370 3.640 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)c(C)c2)c1 486801318 QSCWKVUBEBLVAC-UHFFFAOYSA-N 264.372 3.807 30 20 CHED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1cc2ccccc2s1 181286462 WPNXJRLACOAXBL-SNVBAGLBSA-N 295.367 3.592 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(OCC)c1 125337254 UYCZCTWQCCIJPL-UHFFFAOYSA-N 259.349 3.792 30 20 CHED C[C@@H](NC(=O)[C@@]1(C#N)C[C@H]1C)C1(c2ccccc2)CCCC1 410723565 GOYBGTQYMFEARS-SPYBWZPUSA-N 296.414 3.553 30 20 CHED COc1ccc(C[C@@H](C)CN[C@@H]2CCC[C@H](C#N)C2)cc1 185873943 NJNZNPLAJFTQLZ-HYVNUMGLSA-N 286.419 3.546 30 20 CHED Cc1ccc(N2CCN(CCCC(C)(C)C#N)CC2)cc1C 126048984 DBCHVHUMSSEHGE-UHFFFAOYSA-N 299.462 3.755 30 20 CHED C=C(C)CCOc1ccc([N+](=O)[O-])cc1Br 505507433 RFWLVSDAGLIJHD-UHFFFAOYSA-N 286.125 3.702 30 20 CHED CC#CCCCC(=O)N(CC)Cc1cccc(Cl)c1 185172784 WJBHBILNGFQSTA-UHFFFAOYSA-N 277.795 3.882 30 20 CHED COc1ccccc1/C(C)=C/C(=O)Nc1ccccc1C#N 76708593 PIGPQBMBNXQQIA-ACCUITESSA-N 292.338 3.609 30 20 CHED C=CCC[C@H](NC(=O)N1CC[C@@](C)(F)C1)c1ccccc1 501093512 KHVHXFNBQBDFHG-DOTOQJQBSA-N 290.382 3.837 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(Br)s1 157230132 FLTDQJRPWFPZEK-JGVFFNPUSA-N 260.200 3.736 30 20 CHED C=CCNC(=O)CS[C@H](C)CCSc1ccccc1 121162985 OMDFDLSVTVGLLU-CYBMUJFWSA-N 295.473 3.593 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(CN(C)C)c1 500797465 VBHSUHNYYNOTDM-INIZCTEOSA-N 294.826 3.942 30 20 CHED C=C(C)CCc1noc(-c2ccc(OC)cc2C)n1 508593098 DOPCJJXUCQXQMW-UHFFFAOYSA-N 258.321 3.562 30 20 CHED C[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H](C)S1 70387377 YHQWAELBWMSFAM-UWVGGRQHSA-N 266.797 3.542 30 20 CHED C[C@@H](C#N)OCCOc1ccc(Oc2ccccc2)cc1 314178305 JEMKLUJGGXMWCY-AWEZNQCLSA-N 283.327 3.786 30 20 CHED C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccccc1 75458129 CFGXAQSQVOXEDC-ZDUSSCGKSA-N 296.395 3.528 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)c(F)cc1F 182610814 FBRLOWLETTTZGR-LLVKDONJSA-N 267.319 3.748 30 20 CHED Cc1cc(COc2cccc(C)c2F)ccc1C#N 447299541 ROJCWGWGELJWPD-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C=CCCNc1ccc(C)c(NC(=O)C(C)(C)C)c1 77246083 NYVUKUHIOZPDJD-UHFFFAOYSA-N 260.381 3.968 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1c(C)cc(C)cc1C 317486932 LUKMIOPRQIPEBF-UHFFFAOYSA-N 294.354 3.744 30 20 CHED O=C(/C=C/c1ccsc1)c1c(Cl)nc2ccccn12 78023191 WSZAMJRKYSXMIJ-SNAWJCMRSA-N 288.759 3.945 30 20 CHED CC(C)C[C@@H](NC(=O)NCC1(C#N)CCC1)c1ccccc1 419408532 XRYGGLZPBWNPEW-MRXNPFEDSA-N 299.418 3.767 30 20 CHED CC(C)c1cnc(NCc2ccc(C#N)s2)s1 185985703 FYHFGEDUGJEHAQ-UHFFFAOYSA-N 263.391 3.812 30 20 CHED N#C[C@@H]1CC[C@H](N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 412018073 ZIIBRBMTQPFIEC-BPQIPLTHSA-N 296.414 3.532 30 20 CHED Cc1nnsc1C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329241871 SBEKCCNENAIXAL-YNEHKIRRSA-N 293.436 3.910 30 20 CHED CN(Cc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1cccc(F)c1 411138952 XCOAEGDAAYLMFT-ZWKOTPCHSA-N 280.346 3.685 30 20 CHED CCOc1ccccc1OCCCOc1cccc(C#N)c1 41497390 UGGXNNMCDBSJDD-UHFFFAOYSA-N 297.354 3.805 30 20 CHED C[C@@H](/N=C(/O)[C@H]1CCCC(O)=N1)c1ccc(Cl)s1 328837904 YBLTULMMAMKOSI-HTQZYQBOSA-N 286.784 3.928 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)c(OC(F)F)c(C)c1 503095161 BDPVSPHJIRSGOG-UHFFFAOYSA-N 297.345 3.943 30 20 CHED N#Cc1cnc(N2CCC[C@H](c3ccccc3)CC2)c(F)c1 413121860 XMUZYIZTGUQLRH-INIZCTEOSA-N 295.361 3.866 30 20 CHED Cc1ccc(N=C(O)[C@@H]2CCCSC2)c2[nH]ncc12 329540817 WTZWZIVOCNSIEN-SNVBAGLBSA-N 275.377 3.603 30 20 CHED N#Cc1cccc(NCc2ccc(Cl)cc2F)c1 83442308 TTXZOQQFYIFSHZ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED OC(=Nc1nncs1)[C@@H]1CCC[C@H]2CCCC[C@H]21 328999671 KTPVYZNLKUSCKP-GMTAPVOTSA-N 265.382 3.733 30 20 CHED C#Cc1cccc(NCc2cn(-c3ccccc3)nc2C)c1 130493796 RSWMVOKYPMHWLY-UHFFFAOYSA-N 287.366 3.774 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1ccc(Br)cc1 191497883 BHNVKYFOKFUDQV-RISCZKNCSA-N 295.224 3.662 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CC[C@@H](C)C1 425512837 DZSYDKXWORISFE-YCPHGPKFSA-N 299.418 3.697 30 20 CHED C=CCC[C@@H](NCCc1ccccn1)c1ccccc1 518077187 VYQRZMLOJBVPBH-GOSISDBHSA-N 266.388 3.921 30 20 CHED Cc1ccc(C[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)cc1 518403694 JDISOBQHPSJSEZ-FHWLQOOXSA-N 282.431 3.942 30 20 CHED Cc1ncsc1/C=C1/CCOc2ccc(F)cc2C1=O 84065582 QYXNZVWBBKKPQY-POHAHGRESA-N 289.331 3.639 30 20 CHED CCCC[C@@H](CC)CNCc1ccc(C#N)s1 135666899 OACXOIMCVBDKCV-GFCCVEGCSA-N 250.411 3.926 30 20 CHED CCCCCCCCOC(=O)CC1(O)CCCC1 196925027 IAAFBIJBXILKQY-UHFFFAOYSA-N 256.386 3.585 30 20 CHED C=C(C)CCN[C@@H](c1ccc(OC)cc1F)C1CC1 421853464 JJDVINLTLOPCOY-MRXNPFEDSA-N 263.356 3.841 30 20 CHED CCC[C@@H](C(=O)[C@H](C#N)c1ccccn1)c1ccccc1 41494157 AFOMDFJFGFRMEP-HZPDHXFCSA-N 278.355 3.842 30 20 CHED Cc1ccc(NCc2ccc(F)c(C#N)c2Cl)nc1 428858356 COCVHMAHRMWBDA-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=C[C@](C)(CC)c1nc([C@H](C)c2nccs2)no1 424358419 ZSLDEGGLWLRLIG-TVQRCGJNSA-N 263.366 3.532 30 20 CHED C[C@@]1(CNc2cc(Cl)ccc2C#N)C[C@H]2CC[C@H]1O2 425280163 JRVDWKDYTNJYAX-YUELXQCFSA-N 276.767 3.581 30 20 CHED CC[C@H](C(=O)N(CCC#N)CC(C)C)c1ccccc1 48151359 YXOYRCPSVZBEPT-INIZCTEOSA-N 272.392 3.578 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N(CC)CC(C)C)c1C 331110294 ICAGAIHURIHFKW-LBPRGKRZSA-N 280.416 3.686 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CCC1 425117703 WZUCHVRPXNEJKL-CHWSQXEVSA-N 270.376 3.514 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 424677059 IADGNQHSDBHITE-KGLIPLIRSA-N 281.440 3.546 30 20 CHED CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H](C)C#N)cc1 334305290 GJHHVRKRTZETKO-CZUORRHYSA-N 270.376 3.633 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCCC2 332657053 AAGCVIDWVATPEJ-IBGZPJMESA-N 298.430 3.552 30 20 CHED CCN(CC#N)Cc1cccc(-c2ccccc2)c1 92399043 TWSJVUFJWPHBQB-UHFFFAOYSA-N 250.345 3.699 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cc2cccc(Cl)c2s1 335511463 CAUNTNCCNPGQOQ-SECBINFHSA-N 292.791 3.786 30 20 CHED CC(C)CC1(CNC(=O)c2ccc(C#N)cc2)CCCC1 94877701 YEKHMANSZWUBIZ-UHFFFAOYSA-N 284.403 3.895 30 20 CHED CC1=C(C)C[C@H](C(=O)N(C2CC2)C2(C#N)CCC2)CC1 335440361 HUOPFMYJEUUXJX-CQSZACIVSA-N 272.392 3.560 30 20 CHED Cn1cc(/C=C/C(=O)c2ccco2)c(-c2cccs2)n1 93902096 JWFORGZGCLMQJQ-VOTSOKGWSA-N 284.340 3.638 30 20 CHED CC(C)c1nsc(Sc2cccc(C#N)c2)n1 92679503 NLDRGTXVEREUPI-UHFFFAOYSA-N 261.375 3.684 30 20 CHED Cc1ccc(-c2nnc(SCCCC#N)o2)cc1C 337950117 AZRXTCPHGMALDN-UHFFFAOYSA-N 273.361 3.749 30 20 CHED N#Cc1ccsc1C(=O)Nc1cc(Cl)cc(F)c1F 334608706 WDGNFPVHTNJLBF-UHFFFAOYSA-N 298.701 3.804 30 20 CHED C=CCCCCCN(C)Cc1cccc(OC)c1O 93498036 OIZLVZDPEYNHRA-UHFFFAOYSA-N 263.381 3.579 30 20 CHED C[C@@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)[C@@H]1C 92737300 IKFZYPFCEBZSJW-HZPDHXFCSA-N 285.435 3.657 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)C2CC(C(C)(C)C)C2)C1 332430600 IXHNJEWREUWMCK-VWLISTAJSA-N 276.424 3.647 30 20 CHED Cc1c(C#N)cccc1NCc1ncc(C(C)(C)C)o1 431331762 IBXZZDTZGLFQDO-UHFFFAOYSA-N 269.348 3.764 30 20 CHED N#C[C@@H](NC(=O)c1sccc1C1CC1)C1CCCCC1 432993924 FCTYEXBMLNHJSU-CQSZACIVSA-N 288.416 3.828 30 20 CHED C=CCn1c(C)nnc1SC[C@H]1CCC[C@H](C)C1 92199057 MXWWDHAPYKCHTD-AAEUAGOBSA-N 265.426 3.691 30 20 CHED CC(C)c1cccnc1N=C(O)[C@@H]1CCCOCC1 330214807 GLRHGHCQDYNBSL-GFCCVEGCSA-N 262.353 3.610 30 20 CHED Fc1ccc(C#CCN2CCS[C@@H]3CCCC[C@@H]32)cc1 438544933 HACPIGZCNQKYCB-DLBZAZTESA-N 289.419 3.537 30 20 CHED Cc1nsc(N[C@H]2C[C@@H]2c2c(F)cccc2F)c1C#N 343046992 USMRMCJPXIWVNJ-UFBFGSQYSA-N 291.326 3.569 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1(C(F)(F)F)CCC1 294849095 ZDORGXYZBLXPTN-UHFFFAOYSA-N 282.265 3.538 30 20 CHED CC(C)(C)OCCSc1ccc(C#N)cc1F 345071391 GASNBOXOCBQHTN-UHFFFAOYSA-N 253.342 3.605 30 20 CHED Cc1cccc(-c2cnc(NC(=O)C3(C#N)CCC3)s2)c1 345981326 ADWOYYKKEHKYFC-UHFFFAOYSA-N 297.383 3.751 30 20 CHED C=C(C)CCc1noc(-c2cc3sccc3[nH]2)n1 347266093 PABZHVSSFAXACN-UHFFFAOYSA-N 259.334 3.788 30 20 CHED CC(C)COc1ccc(NCc2ccc(C#N)cc2)cn1 344863610 YAQSJVRGVVUXQZ-UHFFFAOYSA-N 281.359 3.600 30 20 CHED C=CCCCC(=O)Nc1nc(CC(F)(F)F)cs1 341295278 BDAASRRCSLAVRN-UHFFFAOYSA-N 278.299 3.543 30 20 CHED N#CCC1(CN2CCC3(C=Cc4ccccc4O3)CC2)CC1 602904691 KBSSOUFYVODUKS-UHFFFAOYSA-N 294.398 3.621 30 20 CHED Cc1ccccc1C[C@H](C)Nc1nc2c(cc1C#N)CCC2 520029851 FZTWULOGCDEYPH-AWEZNQCLSA-N 291.398 3.794 30 20 CHED CCC[C@H](C#N)NC(=O)CCc1ccc(-c2ccccc2)o1 523281910 OBXOUMOWZREWGU-OAHLLOKOSA-N 296.370 3.688 30 20 CHED C=CCN(C(=O)c1ccc(SC2CC2)cc1)C1CC1 341537472 KYVOJYHIRRMDSI-UHFFFAOYSA-N 273.401 3.732 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(C#N)c2)C1 343620306 GTXNXERWMRRALM-KBXCAEBGSA-N 290.366 3.782 30 20 CHED CCCOc1ccc(NCc2ccc(C#N)cc2)cc1 51785141 SZNUMCVGGODBPR-UHFFFAOYSA-N 266.344 3.959 30 20 CHED CSc1cc(CN[C@H](C)c2cccc(C#N)c2)ccn1 344118286 ZBBXFPYUVIHNTQ-GFCCVEGCSA-N 283.400 3.526 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCCSC2)n1 340768656 HVFSNKUVUGCMBM-SNVBAGLBSA-N 252.383 3.534 30 20 CHED C=CCOCCCN1CCC(c2ncccc2Cl)CC1 348169113 OVNZXQLKKROPLX-UHFFFAOYSA-N 294.826 3.507 30 20 CHED C=CCC1(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)CCCCC1 449954819 QEUCCKCEOPLFCO-OKILXGFUSA-N 261.409 3.627 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C#N)(CC)CC 602249107 RLJVIJASFORULY-UHFFFAOYSA-N 288.366 3.670 30 20 CHED Cc1ccc([C@H](C)CN2CCC[C@](C)(C#N)C2)cc1 600146433 WIWXIYJPZSHNJZ-NVXWUHKLSA-N 256.393 3.724 30 20 CHED Cc1cc(Cl)ccc1OCCCN[C@@H]1CC[C@H](C#N)C1 442789240 YHOSOQLPHOXZCD-DZGCQCFKSA-N 292.810 3.699 30 20 CHED COCC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccco1 353680584 UFNRHSLYLGMQFW-DLBZAZTESA-N 296.370 3.506 30 20 CHED COc1ccc(Cl)c(NC[C@H](C)CCC#N)c1 602497738 WFHABVYIVSWSOU-SNVBAGLBSA-N 252.745 3.700 30 20 CHED Cc1cc2c(SCCCSCC#N)ncnc2s1 447326701 SARYGWGOVUWQIQ-UHFFFAOYSA-N 295.458 3.739 30 20 CHED CCN(C(=O)CSC(C)C)[C@H](C)c1ccc(C#N)cc1 603529431 WOYVQWWWQSICMX-CYBMUJFWSA-N 290.432 3.609 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc2cccnc2c1 602309959 WWUUCEVJZDICLN-UHFFFAOYSA-N 295.386 3.779 30 20 CHED COc1cc(-c2nc3ccc(SC)cc3[nH]2)ccc1C#N 443027844 NNRDGORJMRHDIY-UHFFFAOYSA-N 295.367 3.832 30 20 CHED CCN(C(=O)c1cc(C)[nH]c1C)[C@H](C)c1ccc(C#N)cc1 603618793 OIIAOCWEEZTPGN-CQSZACIVSA-N 295.386 3.727 30 20 CHED Cc1sc(NC(=O)C[C@@H](C)c2ccco2)c(C#N)c1C 602225349 BMEDQCCGNSVQJM-SECBINFHSA-N 288.372 3.962 30 20 CHED C=CCN(C(=O)CCCOc1ccc(C)c(C)c1)C1CC1 536824051 XSIJQLJABXPHNV-UHFFFAOYSA-N 287.403 3.639 30 20 CHED C=CC[C@H]1N(Cc2nc(CC(C)C)no2)CCCC1(C)C 444788607 WYARYARQVNWQGM-CQSZACIVSA-N 291.439 3.835 30 20 CHED C[C@@H](CCC#N)CNc1ccc2c(c1)nc(C1CC1)n2C 602605878 UGFXVVJXNGCJRM-LBPRGKRZSA-N 282.391 3.802 30 20 CHED C=CCN(CC[C@H]1CCCCN1C)Cc1cccs1 356838667 DNYPXHLHTQIKTC-OAHLLOKOSA-N 278.465 3.611 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1 358110984 UFTSCKMDZBDLIW-OAHLLOKOSA-N 294.379 3.776 30 20 CHED Cc1ccc(CNC(=O)c2ccc(Cl)c(C#N)c2)c(C)c1 539751544 OFBSIBKCWKZUII-UHFFFAOYSA-N 298.773 3.759 30 20 CHED Fc1ccc(C#CCOc2cccc(C(F)(F)F)n2)cc1 539631353 ZFWFMLIRIZIEPG-UHFFFAOYSA-N 295.235 3.670 30 20 CHED C=CCCC1(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)CC1 355113873 PFJVBPOSFPXHFN-NVXWUHKLSA-N 299.414 3.721 30 20 CHED C=C(C)CN[C@@H](COc1ccccc1F)C(C)(C)C 539493682 QFQITWFCNLROCC-HNNXBMFYSA-N 265.372 3.785 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@](C)(C#N)C1 612240881 UQEKWQJANPHFIQ-APWZRJJASA-N 298.430 3.798 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccncc2C(F)(F)F)C1 617779458 BBQTZLROZJPVGW-NSHDSACASA-N 298.308 3.529 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccccc1C#N 611554030 BUPBXLBRSQEWAQ-FZMZJTMJSA-N 282.309 3.721 30 20 CHED CCC[C@H](C#N)NC(=O)c1sc(C)nc1-c1ccccc1 539927083 HYFQIVNAJCRSBD-CYBMUJFWSA-N 299.399 3.541 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(SCC)nc2)C1 617783550 BNWZUAZEOVIDLE-ZDUSSCGKSA-N 290.432 3.622 30 20 CHED C=CC1CCN(Cc2cccc(OC)c2OC(C)C)CC1 539828597 JTALXSWYIKFSEM-UHFFFAOYSA-N 289.419 3.880 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)C2CCCC2)s1 610550837 ZGXIBUGSJVCTIM-JTQLQIEISA-N 276.405 3.947 30 20 CHED C=C[C@@H](CC(=O)NCC#Cc1ccccc1)c1ccccc1 533889035 RDSUQVSQFCHUBI-SFHVURJKSA-N 289.378 3.514 30 20 CHED C=C(CC)CS[C@H](C)C(=O)Nc1ccc(F)cc1F 536881101 HBQBSAPEJHOMSU-SNVBAGLBSA-N 285.359 3.991 30 20 CHED C=CCOc1cccc(CN(C)[C@H](C)C2(C)CC2)c1 535825660 KZQKYXQLNJROLI-CQSZACIVSA-N 259.393 3.872 30 20 CHED C=CCCNc1ccc2c(c1)CN(CC(F)(F)F)C2 453161532 OOTQCVBHOGSTQI-UHFFFAOYSA-N 270.298 3.553 30 20 CHED C[C@H]1c2ccccc2OCCN1Cc1ccc(C#N)c(F)c1 616764588 WYVHFTMFHMOKNB-ZDUSSCGKSA-N 296.345 3.653 30 20 CHED C=CCCCC(=O)N1CC=C(c2c(F)cccc2F)CC1 368657607 COAXUBZWZZGKEP-UHFFFAOYSA-N 291.341 3.937 30 20 CHED CCCCN(C(=O)c1cc(C#N)c[nH]1)[C@H](C)c1ccc(C)o1 610490064 YTWMCBVOOZEVQU-CYBMUJFWSA-N 299.374 3.791 30 20 CHED Cc1ncc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)s1 455989391 GXFYSRKDEDCUEM-UHFFFAOYSA-N 299.399 3.531 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2cccc(OC)c2)CCCC1 619104038 IRRXSPGCVPOUEF-AWEZNQCLSA-N 287.403 3.804 30 20 CHED C=CCOCCCc1nc(C(C)(C)C2=CCCCC2)no1 277995422 IEBHOAWHRIJZJE-UHFFFAOYSA-N 290.407 3.983 30 20 CHED Cc1cccc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)c1C 271834697 UYGQGEMRCAIYCA-HNAYVOBHSA-N 294.398 3.559 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc(OC)c2ccccc12 453377509 XTIBPLWEAUAKKR-HUUCEWRRSA-N 299.414 3.826 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1C#N 452686708 RZCXGZXBAFJQEF-FOLVSLTJSA-N 298.386 3.720 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1cc(C)ccc1OC 457946371 ATQFBVKURIQKDQ-CXAGYDPISA-N 275.392 3.783 30 20 CHED C=CCCC[C@H](C)NC(=O)N1[C@H](C)CC[C@H]1CC 540569082 PVAACQACAKQIEQ-BFHYXJOUSA-N 252.402 3.704 30 20 CHED C=CCCc1noc(C[C@H](C)c2cccc(F)c2)n1 453244372 CTPOPVPUCLPZTC-NSHDSACASA-N 260.312 3.674 30 20 CHED CC[C@H](NCCC(C)(C)C#N)c1cc(F)ccc1F 272045467 SBWMJVFLLFTAQO-AWEZNQCLSA-N 266.335 3.945 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(CC#N)cc1 270318262 JNZQYUJPCIDMFU-KBRIMQKVSA-N 282.387 3.546 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1csnc1C 279303160 BZVMUUUSWJMXDX-UHFFFAOYSA-N 286.400 3.670 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC(C)(C)C#N 278484522 KMNJZXHBWSFOAU-UHFFFAOYSA-N 299.201 3.892 30 20 CHED Cc1ccc(O[C@@H](C)CNc2ccc(F)cc2C#N)cc1 463071760 LTJKVFXZNXFVRP-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED C[C@@H](Cc1ccsc1)N(CCC#N)CC(C)(C)C 542149709 IPWOPBHKAYIYAH-ZDUSSCGKSA-N 264.438 3.941 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 467087827 BAZWAOLFTSAQCJ-CABCVRRESA-N 266.429 3.809 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C 464160664 YVSOIEHOHAXQBQ-NHYWBVRUSA-N 252.402 3.503 30 20 CHED C=CCC[C@@H](CCC)N[C@H](CO)Cc1ccccc1C 467382084 NPYVEDCMWZSACK-MSOLQXFVSA-N 275.436 3.623 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(OC)cc2C)no1 624733358 VIQYHVSWFSNHNP-UHFFFAOYSA-N 280.274 3.722 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC(C)C)c1ccccn1 280715516 FDBHGEOQKFJJLD-JQHSSLGASA-N 288.435 3.740 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 281435561 RHHNFEYLSKSJKQ-ZDUSSCGKSA-N 284.363 3.553 30 20 CHED CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@@H](C)C#N 469382696 AEWZELRLXYJNCO-RDJZCZTQSA-N 286.419 3.796 30 20 CHED Cc1c(Cl)cc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1Cl 460066967 MIUGBLOFFNZBTJ-CPFSXVBKSA-N 283.158 3.790 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1c(Cl)cccc1C#N 462816185 ZXXRRGPQFSHQEB-PWSUYJOCSA-N 264.756 3.581 30 20 CHED C=CC[C@@H](CC)NC/C=C\c1ccccc1[N+](=O)[O-] 466384772 VNVZSXKTFJWBHX-JKEYDSJLSA-N 260.337 3.552 30 20 CHED C#CCCCCN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 282968567 CZRBQHVJUNUNIJ-ROUUACIJSA-N 299.414 3.561 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 462342058 OEGRNPXLINGCOM-CPUCHLNUSA-N 284.403 3.747 30 20 CHED CC#CCCCC(=O)NCc1ccc(-c2ccncc2)cc1 373350280 ZWDAXUPICHZTNH-UHFFFAOYSA-N 292.382 3.558 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N[C@@H](C#N)C(C)C 464308417 ZPDYMVHWRZADSH-CABCVRRESA-N 264.413 3.647 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@@H](C)CCC1CCCCC1 550812397 KSFPFPLCSRCBPQ-AWEZNQCLSA-N 299.418 3.741 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(C(C2CCC2)C2CCC2)no1 556412644 MEQWFHDSQOOMEB-QLJPJBMISA-N 271.364 3.555 30 20 CHED C=CCCC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 288417459 NPVYMMMJKJOOSM-GOEBONIOSA-N 257.377 3.952 30 20 CHED CN(Cc1ccc(F)c(Br)c1)CC(C)(C)C#N 552085057 NFQVRAJUMDSQKV-UHFFFAOYSA-N 299.187 3.570 30 20 CHED CC(C)Oc1cccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 282026855 SSKIQADHYBJAGU-OFQRWUPVSA-N 272.392 3.817 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C#N)s2)C1 553675340 XINQILGJLOOHIS-DOMZBBRYSA-N 296.395 3.843 30 20 CHED C=CCCCSCC(=O)N1CCC[C@@H]2CCCC[C@H]21 477007114 UTXLETLHQTVDGX-LSDHHAIUSA-N 281.465 3.867 30 20 CHED CN(C(=O)[C@@H]1CC12CCCC2)c1cc(Cl)ccc1C#N 479563611 NNDWPWLOLXLCHH-ZDUSSCGKSA-N 288.778 3.755 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(F)c(OC)c2)no1 559934635 MBOKWTVPXFGBDY-UHFFFAOYSA-N 284.237 3.552 30 20 CHED C=CCCCN[C@H](C)c1ccc(N2CCCOC2=O)cc1 292727326 MKNBMMNTQGHGFG-CQSZACIVSA-N 288.391 3.650 30 20 CHED C[C@H](C#N)OCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 801943776 HVUFLXULMIRHGN-LULLPPNCSA-N 298.430 3.573 30 20 CHED C#C[C@H](NC(=O)[C@@H](CCC)c1ccccc1)C(C)(C)C 807880275 UNVOXTFYVAEDSG-HOTGVXAUSA-N 271.404 3.734 30 20 CHED CC(C)(C)OC(=O)CCCCSc1cccnc1C#N 567290664 KHMJKKZKNORDLH-UHFFFAOYSA-N 292.404 3.557 30 20 CHED Cc1cc(C)c(C#N)c(SCC2(C#N)CCCC2)n1 806582368 NJQGJMGFNOFPED-UHFFFAOYSA-N 271.389 3.746 30 20 CHED C=CCCCCCCCNC(=O)Nc1nc(C)c(C)o1 809874328 KSASIVIXDBYNDM-UHFFFAOYSA-N 279.384 3.940 30 20 CHED C#Cc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 809592388 GBGCSTOLUZHMIN-UHFFFAOYSA-N 281.321 3.832 30 20 CHED C=CCCCCCCNC(=O)N1C[C@@H](C)C[C@@H]1C 806004407 HSSUOPQMXWOKIB-KBPBESRZSA-N 252.402 3.563 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccsc2)cc1 564873065 SUOAQECDZOWVNC-OAHLLOKOSA-N 284.384 3.647 30 20 CHED C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccsc1 800889526 QAWHIZSMDGPRQU-CQSZACIVSA-N 299.443 3.949 30 20 CHED C#C[C@H](NC(=O)Cc1csc2ccccc12)C(C)(C)C 807880126 DCSVJWAGRDAPFY-HNNXBMFYSA-N 285.412 3.608 30 20 CHED C=CCOCCN[C@H](CC(C)C)c1ccc(OC)cc1 647299492 MPKHTEWVCAEUOO-QGZVFWFLSA-N 277.408 3.575 30 20 CHED C=CCCCCN[C@H](C)c1cc(OC)c(OC)cc1F 471582997 SJBHYWUUZLARKW-GFCCVEGCSA-N 281.371 3.850 30 20 CHED C#C[C@@H](C)NCc1ccc(-c2ccccc2F)s1 809682950 JPZZWXLOVBNZPT-LLVKDONJSA-N 259.349 3.666 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccnc(C(F)(F)F)c1 295074696 PQKOKTSNQQGZPX-MNOVXSKESA-N 272.314 3.791 30 20 CHED CC(=NN[C@H]1CCSC1)c1oc2ccccc2c1C 808003126 UPZITAGKRDFRNZ-LBPRGKRZSA-N 274.389 3.560 30 20 CHED CC(C)(C)c1ccccc1C(=O)N1CCC[C@@H](CC#N)C1 397708138 SBJRMAOJGJHBDN-AWEZNQCLSA-N 284.403 3.750 30 20 CHED Cc1cccc2c1N(Cc1ccc(C#N)c(F)c1)CC2 483988017 UFUHOOPYSXNWLY-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C1=C([C@@H]2CCCCC2=NN[C@H]2CCCOC2)CCCC1 814908210 KNJKEXUTQJUVON-HOTGVXAUSA-N 276.424 3.802 30 20 CHED CC#CCN(C)C(=O)c1cccc(Nc2ccccc2)c1 561701382 JTQNQOLFLYQOHD-UHFFFAOYSA-N 278.355 3.526 30 20 CHED C=CCn1cccc1C(=O)N(C)Cc1cccc(Cl)c1 488602137 YZLKTSMYCMNOHE-UHFFFAOYSA-N 288.778 3.600 30 20 CHED Cc1ccc(C(=O)N(CCC#N)C(C)C)c2ccccc12 568604091 FAOOHCDOAUPFKH-UHFFFAOYSA-N 280.371 3.913 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCc2ccccc2[C@H]1C 572777037 ZCGOABNJYXXGLW-CQSZACIVSA-N 296.418 3.540 30 20 CHED C[C@H](CC#N)Sc1ccccc1NCCC(C)(C)O 488209834 KQRXHJHZNYUKNR-GFCCVEGCSA-N 278.421 3.654 30 20 CHED Cc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc1 811696050 PQSXSIPZKPDKMW-PXNMLYILSA-N 259.308 3.689 30 20 CHED O=C(/C=C\c1cc(O)cc(C(F)(F)F)c1)c1cncs1 811691557 ODMCHXOTRHBPNT-UPHRSURJSA-N 299.273 3.764 30 20 CHED Cc1nc(N[C@H]2CCCc3cn(C(C)C)nc32)ccc1C#N 813599585 VDIGUZHNZJHHDK-HNNXBMFYSA-N 295.390 3.529 30 20 CHED C=CCC1(NC[C@H]2CCC[C@@H](C)C2)CCOCC1 657633230 KLHKELUQRRHTCK-CABCVRRESA-N 251.414 3.528 30 20 CHED Clc1nccnc1NN=C1CC[C@H](c2ccccc2)C1 814850591 VAJILPIULMREBI-LBPRGKRZSA-N 286.766 3.866 30 20 CHED C[C@H](C#N)OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727927542 MRDFDAIJZNHQOA-QNSHHTMESA-N 284.142 3.552 30 20 CHED C=CCCCCCCCNC(=O)C1(SC)CCC1 811589937 MCROMKYNMCUJRP-UHFFFAOYSA-N 269.454 3.915 30 20 CHED CC#CCCN[C@H]1CCC[C@@H]1c1ccccc1Cl 482164841 QGKIHOUCVONBIS-ZBFHGGJFSA-N 261.796 3.979 30 20 CHED C=CCN(C)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 574850584 AKWRXLJFYAYSTF-UHFFFAOYSA-N 265.784 3.896 30 20 CHED C=CCCC1(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)CC1 579358331 OEBLGNXGRFORTI-OAHLLOKOSA-N 284.403 3.738 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)Nc1ccccc1Cl)CC2 570703642 IFWZSOSUROLQOP-UHFFFAOYSA-N 297.745 3.806 30 20 CHED C=C(C)CS(=O)(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 579061077 BZXSEVNLQHOKDO-CQSZACIVSA-N 293.432 3.542 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(CCC#N)CC1 579586636 CHZKRVBKYCMOHW-JKSUJKDBSA-N 291.439 3.681 30 20 CHED CC(C)(C)CC(=O)CSc1cccc(F)c1C#N 657260967 KYXMJZPIOZIMRD-UHFFFAOYSA-N 265.353 3.795 30 20 CHED C#CCN(C(=O)Nc1cc(C)ccc1C(F)(F)F)C1CC1 825435998 MYNZIMCTRPNEFS-UHFFFAOYSA-N 296.292 3.643 30 20 CHED CC#CCCNC[C@@H](C)c1ccc(C(F)(F)F)cc1 577661406 JDUGAILSORIFEY-GFCCVEGCSA-N 269.310 3.812 30 20 CHED COc1ccc(C)cc1C=NNCCCc1ccccc1 729146489 ZPEYBRGHBSVVJJ-UHFFFAOYSA-N 282.387 3.560 30 20 CHED CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C#CC(C)C)o1 829252117 ABWFOVHIGPHUIS-GOEBONIOSA-N 287.403 3.801 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@H](CC#N)C1 824745730 DZMOJOFMIGOVEM-ZDUSSCGKSA-N 288.391 3.651 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCSC1 494922522 OIUUGQLWVLHOAV-MRXNPFEDSA-N 274.433 3.522 30 20 CHED CC[C@H](Cc1ccccc1)NCC(C)(C)CCC#N 570708853 OLINGAKIXAQEPX-MRXNPFEDSA-N 258.409 3.927 30 20 CHED C#CCCOC(=O)C1(c2cccc(Cl)c2)CCCC1 727042847 SXMMNTVOILVEIY-UHFFFAOYSA-N 276.763 3.718 30 20 CHED CCn1c(C)cc(C=NN[C@@H](C)c2ccccc2)c1C 728226061 GNNWJPLZIBTUMP-AWEZNQCLSA-N 269.392 3.810 30 20 CHED CC[C@@](C)(C#N)c1nc([C@@H]2CCc3ccccc3C2)no1 589132296 JWKIEXMZSDRKOB-PBHICJAKSA-N 281.359 3.533 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(C(F)(F)F)cc1 493908322 RGKURSUHFAEBGB-UHFFFAOYSA-N 297.280 3.639 30 20 CHED CC(C)(CN[C@H]1CCc2ccc(C#N)cc21)C1CCOCC1 903243364 AWPIFNWIPUZCBK-SFHVURJKSA-N 298.430 3.588 30 20 CHED CCc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)s1 731156527 GSHVJUJVMVFTHZ-ZSOIEALJSA-N 272.325 3.632 30 20 CHED N#Cc1cccc(CSc2cccc(F)c2C#N)c1 581348496 BQOLESKWYQOTSS-UHFFFAOYSA-N 268.316 3.861 30 20 CHED Cc1nc(NC(=O)C#CC(C)C)sc1-c1ccccc1 822651167 SEEOFCJHJCCXMD-UHFFFAOYSA-N 284.384 3.716 30 20 CHED CC[C@@H](NCC1(C#N)CCC1)c1cc(C)ccc1OC 903033299 SLOSDRMLFSYBQI-OAHLLOKOSA-N 272.392 3.738 30 20 CHED Cc1ccc(F)c(C=NNc2c(F)cccc2F)c1 735614811 CARYMKZSISCYTR-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C=CCCN[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C 739915939 UQTUWVJKTCFGFU-WMLDXEAASA-N 296.455 3.626 30 20 CHED CC#CCCCC(=O)NCCCCCc1ccc(F)cc1 494533676 UFESNHOUCIHKCY-UHFFFAOYSA-N 289.394 3.848 30 20 CHED C=CCN(Cc1ccccc1)C(=O)COc1cccc(C)c1 497788868 AYDXCDNJVJWOTB-UHFFFAOYSA-N 295.382 3.589 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1cncn1C(C)C)C2 901518638 NBPVIUGMNWCTGC-RIYZIHGNSA-N 266.344 3.595 30 20 CHED COc1cccc2c1CC/C(=C/c1ccc(C#N)cc1)C2=O 588618483 VHVVIIODTXGAIY-PTNGSMBKSA-N 289.334 3.779 30 20 CHED Cc1ccc([C@H](NCC(C)(C)C#N)C2CCCC2)o1 903100216 KJUFXIWBTGJSSM-OAHLLOKOSA-N 260.381 3.959 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(C#N)n2)CC1 589460138 DZPQAIYGNWYKTL-ZIAGYGMSSA-N 299.418 3.678 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC2(CCC2)[C@@H]1C(C)C 490304269 YFWDOIJMEMJSRT-KBPBESRZSA-N 264.413 3.561 30 20 CHED CC(CCCc1cccnc1)=NNCCc1ccccc1F 834961485 KUTDVDIDUAHPGO-UHFFFAOYSA-N 299.393 3.752 30 20 CHED C#CCC[C@H](C)OC(=O)c1cccn1Cc1cccs1 839036598 XBNXHTYSEFSWRQ-ZDUSSCGKSA-N 287.384 3.557 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(C3CC3)cc2)ccc1F 585746592 ZVLJHSOFRXVNCY-UHFFFAOYSA-N 280.302 3.827 30 20 CHED C#CCCOc1ccc(-c2nc(-c3cccs3)no2)cc1 904279037 GHCZKVYUMBYJND-UHFFFAOYSA-N 296.351 3.867 30 20 CHED CC[C@@H](C#N)c1ccc(-c2cccnc2OC)cc1 906547222 YDBFPAMEJNBOOU-LBPRGKRZSA-N 252.317 3.774 30 20 CHED C[C@@H](NN=C1CCC(OC2CCCC2)CC1)C(F)(F)F 834998504 IPLKEHNFCNHVSU-VUUHIHSGSA-N 292.345 3.785 30 20 CHED Cc1ncccc1CSc1nc2c(c(C)c1C#N)CCC2 589255177 UPTAGEOVBMWQCR-UHFFFAOYSA-N 295.411 3.746 30 20 CHED Cc1csc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1C#N 589034521 LVNNGWVZIYAJPH-SRVKXCTJSA-N 274.389 3.693 30 20 CHED Cc1c(C(=O)O[C@H]2CCC[C@H](C#N)C2)oc2ccccc12 839044162 PKURICJOULZZEO-STQMWFEESA-N 283.327 3.980 30 20 CHED C=CC[C@@H](OC(=O)[C@@H](CCC)OC)c1ccccc1 835324258 REVDYIMSRGNVJB-HUUCEWRRSA-N 262.349 3.662 30 20 CHED CC(=O)c1cc(C#N)ccc1NCc1ncc(C(C)(C)C)o1 834672484 GWTAWUMWXKGVMW-UHFFFAOYSA-N 297.358 3.658 30 20 CHED N#Cc1nccnc1N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 580695761 ACJFFQWESDONJY-TZMCWYRMSA-N 298.777 3.750 30 20 CHED Cc1cccc2cc(C(=O)OCCCC#N)c(Cl)nc12 838208278 PIWHANYQVAJXDF-UHFFFAOYSA-N 288.734 3.657 30 20 CHED CC(C)(CCC#N)COC(=O)C1(C(F)(F)F)CCC1 835387255 RSNBICVHAFSTLJ-UHFFFAOYSA-N 277.286 3.592 30 20 CHED CCN(CC)c1ccc(CN(C)[C@@H](C)CCC#N)cc1 839458880 CLKSXAHNZZXRPY-HNNXBMFYSA-N 273.424 3.657 30 20 CHED C[C@@H](NC(=O)c1cccc(C2CC2)c1)c1cccc(C#N)c1 593987185 OEEAVKKCZKUTGE-CYBMUJFWSA-N 290.366 3.927 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 593399815 RQNXWAAGMDEDDV-BDAKNGLRSA-N 285.174 3.720 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 593410923 HDPDAYOTTWZDOO-GFCCVEGCSA-N 299.399 3.915 30 20 CHED CCCCCCCOC(=O)Cn1c(C)nc2ccccc21 919229606 NZMIACDCCQWIDA-UHFFFAOYSA-N 288.391 3.858 30 20 CHED C[C@H](N=c1nc(C2CCCC2)[nH]s1)c1cccc(C#N)c1 591459782 ILMAWRYFYAMEOM-NSHDSACASA-N 298.415 3.662 30 20 CHED CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)[C@H]1CC1(C)C 841891768 UNVRJZQJHUIXHY-XKQJLSEDSA-N 286.419 3.892 30 20 CHED CCOc1ccc(C[C@H](C)CN[C@H]2CC[C@H](C#N)C2)cc1 590780364 ZEYPHBWAZRMOPT-XIRDDKMYSA-N 286.419 3.546 30 20 CHED Cc1cccc(C/N=C\c2cc(Cl)ccc2O)c1 912787433 RZDNSMBSYSMNSY-YVLHZVERSA-N 259.736 3.973 30 20 CHED CC1(C)CC=C(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 590861925 TZEHYQMTTODAJW-KRWDZBQOSA-N 294.398 3.798 30 20 CHED CC[C@@H](C#N)C(=O)N1CC(CC)(CC)c2ccccc21 593547456 PTMIWECBKVQHQC-ZDUSSCGKSA-N 270.376 3.641 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@@H](C)C1CC1 743684284 RQYTYVJLNLNTHE-OAHLLOKOSA-N 271.404 3.680 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H]2CC23CCC3)c1 675323713 NZIJCSKKIZOJAQ-HNNXBMFYSA-N 271.360 3.770 30 20 CHED C=C(C)COC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 748912206 SNDPSPUWWKZGSD-QWHCGFSZSA-N 295.176 3.672 30 20 CHED Cc1c(C(=O)NCC2=CCCC2)sc2ccc(C#N)cc12 598376586 QFJXUQNWRIEDRQ-UHFFFAOYSA-N 296.395 3.922 30 20 CHED CC(C)(C)[C@@H]1CCCC(=NNc2cnccn2)CC1 746565924 RRVFCDWHLJZCSG-GFCCVEGCSA-N 260.385 3.871 30 20 CHED C=CCCOC(=O)[C@@H](CC)Oc1ccccc1Cl 749026276 YYOIWLMTIQJIRD-GFCCVEGCSA-N 268.740 3.617 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2ncc(-c3ccccc3)[nH]2)C1 590721698 KSJDGWOEIUXULF-DGCLKSJQSA-N 269.373 3.861 30 20 CHED CCCCCCCCC(=O)NC(C)(C)c1ncc[nH]1 846244948 ATNADMWSADXTPO-UHFFFAOYSA-N 265.401 3.512 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(SC)c(C(=O)O)c1 910947585 HVRQRIROQVORIR-OAHLLOKOSA-N 293.388 3.648 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ncc(C2CCCCC2)s1 844613754 OXCIKAPHYZAETB-SNVBAGLBSA-N 295.408 3.818 30 20 CHED COc1ccc2cc(CN3CCC[C@@H](CC#N)C3)ccc2c1 597174557 QXEAJVAYXGHIFB-HNNXBMFYSA-N 294.398 3.974 30 20 CHED CCCCCCCCOCc1nc(C2CCOCC2)no1 743279249 PYXLAMIEDOGDGE-UHFFFAOYSA-N 296.411 3.841 30 20 CHED C[C@H]1C[C@H]1C=NNc1cc(F)ccc1Br 841655483 RWPMXNXMXXWMRS-YUMQZZPRSA-N 271.133 3.642 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C1[C@H]2CCCCCC[C@H]12 598823121 BXGPUXPYEJKYQQ-DCGLDWPTSA-N 276.424 3.647 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 593504647 IOWXPTPXGOKXCQ-RWMBFGLXSA-N 292.810 3.840 30 20 CHED CCOC1(C/N=C\c2cc(Cl)ccc2O)CCCC1 840707521 WCEMAYIUWDEIDR-YVLHZVERSA-N 281.783 3.814 30 20 CHED Cc1cc(C#N)ccc1N1C[C@@H](C)C[C@H]1c1cccnc1 846755022 CLKARJBTEAQMMY-UGSOOPFHSA-N 277.371 3.849 30 20 CHED CCOc1ccc(/C=N\Cc2ccc(F)cc2F)c(O)c1 745625444 WFBQKORVSHWOML-GRSHGNNSSA-N 291.297 3.688 30 20 CHED CCCCC[C@H](C(=O)N(C)[C@@H](C#N)CC)C(C)C 847168368 MKWGLESSVPIYNO-KGLIPLIRSA-N 252.402 3.599 30 20 CHED C#CCCCCC(=O)NC1(c2ccccc2Cl)CC1 843630617 NNRHMMNYRWOPPY-UHFFFAOYSA-N 275.779 3.639 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cc(O)cc(O)c1 753710312 WNRIIPJVPQNFBW-UHFFFAOYSA-N 284.359 3.859 30 20 CHED C#C[C@H](CC)NC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 754393474 AFEMUYUUUOHBRN-RBSFLKMASA-N 269.388 3.504 30 20 CHED C[C@@H]1CCCCN1N=Cc1cn(C)nc1C1CCCCC1 853380226 QTMOTFVPQMQYFF-CQSZACIVSA-N 288.439 3.676 30 20 CHED C[C@H]1CC(CCOC(=O)C(C)(C)C#N)C[C@H](C)C1 757056274 HXEMPDKIGGADJP-VXGBXAGGSA-N 251.370 3.542 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCCC1(C)C 851205203 CZUBNUAKGTYAQJ-NEPJUHHUSA-N 251.370 3.684 30 20 CHED C=C(Cl)CSCCC(=O)Nc1cc(F)cc(F)c1 853782918 DHOMWPISGSXJTC-UHFFFAOYSA-N 291.750 3.779 30 20 CHED Cc1csc(C(=O)O[C@H](C)CC(C)(C)C#N)c1 851206164 OZRXMTXYEXAPCT-SNVBAGLBSA-N 251.351 3.542 30 20 CHED C#CC[C@H](NC(=O)c1coc2ccccc12)c1ccccc1 757595893 BVDOITKDFXQSBQ-KRWDZBQOSA-N 289.334 3.927 30 20 CHED COc1cccc(O)c1/C=N/CCc1ccc(C)cc1C 920863981 GGUSFEUMEFKMCC-XDHOZWIPSA-N 283.371 3.679 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cccc(OC(F)F)c1 851213657 SQOWNTXXMUQBGC-SNVBAGLBSA-N 297.301 3.773 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@H](C)c1ccc(C#N)cc1 929940964 JTGAKXAAKBFTHK-LSDHHAIUSA-N 292.382 3.848 30 20 CHED C=C[C@@H](OC(=O)c1c(C)noc1C1CC1)c1ccccc1 857658081 AHDLZBJRVAEUHW-CQSZACIVSA-N 283.327 3.945 30 20 CHED C[C@@H](C#N)OCCSCC[C@@H]1CCc2ccccc21 853773716 MWSAEPPEUHOFKC-ZFWWWQNUSA-N 275.417 3.768 30 20 CHED CC(C)CC1(C(=O)OCc2ccc(F)c(C#N)c2)CCC1 758956327 KILSTVKOQXPHNJ-UHFFFAOYSA-N 289.350 3.957 30 20 CHED CCCC1(CNC(=O)/C=C/c2ccccc2C#N)CCC1 758646994 RLNMCRMDKVHOMM-CMDGGOBGSA-N 282.387 3.658 30 20 CHED COC(=O)Cc1ccccc1CSc1ccccc1C#N 751783463 ABWOKDBUCNMXMZ-UHFFFAOYSA-N 297.379 3.566 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 931027448 LAPHFDXPAFBTBX-OAHLLOKOSA-N 284.403 3.898 30 20 CHED COc1ccc(CCC(C)=NOCC2(CC#N)CC2)cc1 853659043 YMGRCHQZDHBRCY-UHFFFAOYSA-N 286.375 3.714 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](CCC#N)c1ccccc1 935027964 VLDNLLRUQZWLFK-ZBFHGGJFSA-N 270.376 3.750 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(SC)cc1OC 935682408 KPIPJZPCXLCFDK-NSHDSACASA-N 279.405 3.958 30 20 CHED C#CCN(CC)C(=O)N[C@H](CC1CCCC1)c1ccccc1 752699878 KJIMDXOLQTZMCY-GOSISDBHSA-N 298.430 3.973 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC2(CC1)OCc1ccccc12 934692531 RYVBMEKFVSVVSL-HNNXBMFYSA-N 299.414 3.637 30 20 CHED c1ccc2c(c1)CCCC2=NNc1ncnc2ccsc12 764841655 UEUYJNCFRNYZII-UHFFFAOYSA-N 294.383 3.844 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(C(C)=O)c2)c1 765406403 NWVMTFITYJNIPC-UHFFFAOYSA-N 291.350 3.537 30 20 CHED C=CCCC(=O)O[C@H](COC(C)C)c1cccc(F)c1 760651498 MWMGXZUTPDZYAD-OAHLLOKOSA-N 280.339 3.801 30 20 CHED CCOc1ccc(/C=N\[C@H]2COc3ccc(C)cc32)c(O)c1 763098383 WQVSEIRETYNPOB-WSLMLHKMSA-N 297.354 3.652 30 20 CHED C#CCCCOc1ccc(-c2csc(C)n2)cc1 766742030 PJBBTEKRHVNNIV-UHFFFAOYSA-N 257.358 3.911 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H]2CCCN2c2ccccc21 932488366 LUGZEZVNFOKGNH-HUUCEWRRSA-N 284.403 3.604 30 20 CHED CC(C)C(=NNCC(F)(F)F)C1CCCCC1 769824402 ITGOKIPZVYJJJA-UHFFFAOYSA-N 250.308 3.731 30 20 CHED c1cncc(CON=C2C[C@H]3CCCc4cccc2c43)c1 763369874 JPKPGZNGBWAAHI-OAHLLOKOSA-N 278.355 3.826 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H](c2cccc(F)c2)C1 932058498 PBJQCGTWTCAQCG-UKRRQHHQSA-N 275.367 3.744 30 20 CHED C[C@H](C=NNc1ccc(Cl)cc1[N+](=O)[O-])CCC#N 766010066 JUQGDLBGAJSOFV-VIFPVBQESA-N 280.715 3.586 30 20 CHED C(=NNc1ncnc2ccsc12)[C@H]1C[C@H]2CC[C@H]1C2 762433802 IXUJCIIJYZMVEF-GARJFASQSA-N 272.377 3.525 30 20 CHED CC#CCCOC(=O)Cc1csc(-c2cccc(C)c2)n1 760274546 QZRPDJAYAFZMBX-UHFFFAOYSA-N 299.395 3.618 30 20 CHED CCC(=NNCCOCC(F)(F)F)C1CCCCC1 765592875 GJXSOFAZIQIMQA-UHFFFAOYSA-N 280.334 3.501 30 20 CHED CC1(C)CCCC1=NNc1ccc(F)c([N+](=O)[O-])c1 769823151 UBCFGZHNECCDIZ-UHFFFAOYSA-N 265.288 3.712 30 20 CHED CC1CC(C#N)(C(=O)OCc2ccc(C(F)(F)F)cc2)C1 767431695 RXJYZARWBHYILN-UHFFFAOYSA-N 297.276 3.688 30 20 CHED CC#CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 764355169 ZFVXPMAHCFLKAI-KRWDZBQOSA-N 283.758 3.569 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2c(O)cccc2Cl)c1 769763532 WXMYZRGIHXBKHI-UHFFFAOYSA-N 299.757 3.694 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@H]1CCC[C@H]1C 769284487 SWGISIGCCYVBNX-TZMCWYRMSA-N 287.359 3.689 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)CCc2ccco2)cc1 764609027 QNANFKONTDXCBV-HOTGVXAUSA-N 297.398 3.964 30 20 CHED N#Cc1cc(NC(=O)C2CCC=CCC2)c(F)cc1F 876350407 INQDFRXMTLDSIF-UHFFFAOYSA-N 276.286 3.521 30 20 CHED N#CC1(COc2c(C=O)cc(Cl)c3ccccc23)CC1 777936570 SFPCPJDRXSFVBA-UHFFFAOYSA-N 285.730 3.988 30 20 CHED C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1cccc(C#N)c1 777703724 YJMXLNBMFZVXMA-CYBMUJFWSA-N 297.377 3.932 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 879467819 KGKZMOPTGDUQBD-UKRRQHHQSA-N 272.392 3.593 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773008950 IMSNSOJDHZEOHX-HNNXBMFYSA-N 286.419 3.514 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C#N)cc1F)C2 772806086 KDCVQNNPVDDLQU-DHDCSXOGSA-N 277.298 3.828 30 20 CHED C#CCCNc1ccn(-c2ccc(Cl)cc2Cl)n1 771683890 VZTRGRSCTZMZTP-UHFFFAOYSA-N 280.158 3.614 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C/c2ccn(C)n2)cc1 773155710 XZPMRSCMDAIMDP-CMDGGOBGSA-N 268.360 3.515 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2ccc(C)c(OC)c2)c1 773142939 JGJNJLIIMSYRTJ-VURMDHGXSA-N 298.338 3.614 30 20 CHED C#CCCCc1nc(Cc2ccc(C(F)(F)F)cc2)no1 871861527 OSRKBIKSNJZSKN-UHFFFAOYSA-N 294.276 3.635 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(OC)c(CN(CC)CC)c1 775393969 CKKOALRRLFCMOC-LSDHHAIUSA-N 290.451 3.762 30 20 CHED C#CCOc1cccc(Cl)c1CN(C)Cc1ccoc1 779155453 YHBWHZVBAIOFSQ-UHFFFAOYSA-N 289.762 3.577 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCC[C@H]1OC 775247214 ZTGIKVQAVUPZAB-LSDHHAIUSA-N 269.429 3.668 30 20 CHED C=C(CC)COC(=O)CCCOc1cccc(C(C)=O)c1 773503239 NTAVERLNXVLVTB-UHFFFAOYSA-N 290.359 3.558 30 20 CHED C=CCCC[C@H](NCCc1ccn(C)n1)c1ccccc1 883216724 VHFBMTZTKDJUMB-SFHVURJKSA-N 283.419 3.650 30 20 CHED CSC1(CN[C@H]2CCC[C@H](C#N)C2)CCCCC1 886740787 IYCLQKAUCYXPST-KBPBESRZSA-N 266.454 3.724 30 20 CHED Cc1ccc(C)c(NN=C2CCc3cc(O)ccc32)c1 780196444 CRDOJTRETLXQBP-UHFFFAOYSA-N 266.344 3.771 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)OCC(C)(C)CC#N 1122838023 XLOMWZLHVNQJGR-CYBMUJFWSA-N 259.349 3.582 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H]2CCCC[C@@H]2C)o1 783838316 WONIXEKFSUFTHW-RYUDHWBXSA-N 274.368 3.894 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cccc(-c2ccccc2OC)c1 789837908 GIUHPDFIFZXBEN-CYBMUJFWSA-N 294.354 3.505 30 20 CHED CCC1(CNC(=O)c2ccc(F)c(C#N)c2)CCCCC1 1127895751 VMYKMFLOPLFYNL-UHFFFAOYSA-N 288.366 3.788 30 20 CHED C#CCCCCCC(=O)OCc1cccc(F)c1F 780255278 OWCPWRIXHDLSBT-UHFFFAOYSA-N 266.287 3.592 30 20 CHED C#CCNC(=S)N(CC(C)C)[C@H](C)c1ccccc1C 789358973 NQNQCTNSUJETDU-OAHLLOKOSA-N 288.460 3.522 30 20 CHED CN=[S@](C)(=O)c1cccc(N[C@H](C)CC(C)(C)C#N)c1 896038467 QDHNCUIECKKPBZ-MPBGBICISA-N 293.436 3.513 30 20 CHED C=C1CN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)C1 898694551 IZTOLBBQAUJUAD-SNVBAGLBSA-N 284.186 3.570 30 20 CHED COC(=O)CCc1ccc(N[C@H](C)CC(C)(C)C#N)cc1 893424951 GZLCOKRNTOYYRZ-CYBMUJFWSA-N 288.391 3.532 30 20 CHED C#C[C@H](OC(=O)C[C@@H](C)c1c[nH]c2ccccc12)C1CC1 786474176 NWFBZBUCVMNFMC-PXAZEXFGSA-N 281.355 3.617 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc(Cl)cc2F)cc1 783511699 VHLAEGKZEARLSV-UHFFFAOYSA-N 293.685 3.833 30 20 CHED N#Cc1csc(CNCc2cccc(Cl)c2)c1 93492028 IABILRFGZSWAIH-UHFFFAOYSA-N 262.765 3.563 30 20 CHED C=C1CCC(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 891520497 LZDZDIJYXQNEGE-GOEBONIOSA-N 273.351 3.544 30 20 CHED C=C(C)CCNC(=O)N1Cc2ccccc2[C@@H]1CC 895146696 INAMZOQCFUOFBS-HNNXBMFYSA-N 258.365 3.629 30 20 CHED CC(C)C[C@H](C)C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 799104581 BYJSSKNAAXBLKR-JTQLQIEISA-N 294.311 3.583 30 20 CHED CCCCCCCCOC(=O)[C@H]1CCCc2nn(C)cc21 798756037 OPKCNEBYCPFSEO-AWEZNQCLSA-N 292.423 3.744 30 20 CHED CC#CCN(C)Cc1sccc1NC(=O)OC(C)(C)C 897169330 NERSWWAQFVAWEI-UHFFFAOYSA-N 294.420 3.550 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C\c2cnn(C)c2)c1 794724908 TYALPZKSCRIEFW-FPLPWBNLSA-N 268.360 3.515 30 20 CHED CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCC(C)(C)C1 794269204 FCEBEAQDZLUVSM-ROJDOSBLSA-N 282.387 3.609 30 20 CHED N#Cc1sc(NCCc2cccc(Cl)c2)nc1Cl 702888725 HWWWRZKXXFFJJZ-UHFFFAOYSA-N 298.198 3.976 30 20 CHED C=CC[C@H](NC(=O)N(C)C(C)(C)CC)c1ccncc1 798437747 NUKWWASRSDERQN-AWEZNQCLSA-N 275.396 3.529 30 20 CHED N#Cc1cccc(NN=Cc2ccc(C(F)F)cc2)c1 794489841 HEMYFJHNGRIFEM-UHFFFAOYSA-N 271.270 3.942 30 20 CHED Cc1cccc(N(C)C(=O)Nc2cc(F)cc(C#N)c2)c1C 1208349528 VXTJMKGRNGIZHX-UHFFFAOYSA-N 297.333 3.983 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCCC2)c1ccnc(F)c1 792904726 IYCYOHYFVVLEKB-VURMDHGXSA-N 281.330 3.996 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)C(C)(C)c1ccccc1 795604840 LKYVYDCUFYKLHL-GOSISDBHSA-N 288.387 3.679 30 20 CHED CC[C@@](C)(C#N)C(=O)OC[C@@H](OC(C)C)c1ccccc1 795598206 HAEIFFHSBUUOSU-WBVHZDCISA-N 289.375 3.636 30 20 CHED CCCCCCC[C@H](C)CNCc1c(C)cnn1C 796274778 AEQVKOOESHQVJA-AWEZNQCLSA-N 265.445 3.815 30 20 CHED C=CC[C@H](CC)NC(=S)N[C@@H](C)c1ccccc1 798376029 RKEITKIATGHMRH-JSGCOSHPSA-N 262.422 3.566 30 20 CHED C#CCC1(C(=O)NC[C@H]2CCC(F)(F)C2)CCCCC1 797555555 FTEJDITYDSCMMJ-ZDUSSCGKSA-N 283.362 3.512 30 20 CHED COc1ccc(C=NN[C@H](C)C(C)(C)C)c(Cl)c1 793111001 FEWKZYNRGNPEDQ-SNVBAGLBSA-N 268.788 3.707 30 20 CHED CCCCCCC[C@H](C)CN[C@H]1CCOC[C@H]1C 792924972 ZSQSNWVOPPPNQS-XHSDSOJGSA-N 255.446 3.998 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C#N)c2)s1 799319749 OUQUPLKRJZEXPK-GFCCVEGCSA-N 284.384 3.728 30 20 CHED CC(C)COCCSCCCOc1ccc(C#N)cc1 799987370 BLYZUOABPJADMR-UHFFFAOYSA-N 293.432 3.733 30 20 CHED CC[C@H](C)NN=Cc1ccc2cc(OC)ccc2c1 790183387 RJVYXMSORQXYOP-LBPRGKRZSA-N 256.349 3.570 30 20 CHED N#Cc1csc(CN[C@H](c2ccccc2)C2CC2)c1 93492225 JWPAOGUOWJYHOH-MRXNPFEDSA-N 268.385 3.861 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)c1ccc(C#N)c(C)n1 1162631901 WXQLMYIXCNRLCA-KRWDZBQOSA-N 279.387 3.719 30 20 CHED CCc1csc(Sc2c(C#N)cccc2C#N)n1 1163826455 XCEHBGHVNVRUSL-UHFFFAOYSA-N 271.370 3.600 30 20 CHED C[C@H]1Cc2ccccc2N(C(=O)CC#Cc2ccccc2)C1 1319314453 PIDCGCIJCGFXLW-INIZCTEOSA-N 289.378 3.654 30 20 CHED C=CC1CCN(C(=O)NCc2cccc(Cl)c2F)CC1 1319176405 VAWDVLJVULOEAV-UHFFFAOYSA-N 296.773 3.587 30 20 CHED Cc1ccc(CN(CCO[C@H](C)C#N)CC(C)C)c(C)c1 1171446817 RQOLYFKPQRSRMS-QGZVFWFLSA-N 288.435 3.690 30 20 CHED N#Cc1cccc(NCc2cc3cc(Cl)cnc3o2)c1 1178310925 OXXMLUHMTDPGKG-UHFFFAOYSA-N 283.718 3.965 30 20 CHED C=C[C@H](COC)NCc1cc(Cl)cc(C(F)(F)F)c1 1320495168 BWSYAWGNRXPYEY-GFCCVEGCSA-N 293.716 3.649 30 20 CHED C=CCCCCC[C@@H](C)NCCC(=O)N1CCC[C@H](C)C1 1323409812 PDNQYUXBLCPANP-DLBZAZTESA-N 294.483 3.750 30 20 CHED N#CCC1(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 1170062025 IWZVWGCXWBCCFY-KSZLIROESA-N 280.415 3.948 30 20 CHED C=C[C@](C)(CC)c1nnc(COc2cccc(C)c2)o1 1326960014 LSUDBTWQOJDNHC-MRXNPFEDSA-N 272.348 3.811 30 20 CHED N#CC1(c2ccc(-c3cn[nH]c3)cc2)CCCCC1 1240241966 IEGLRJXQAWKREB-UHFFFAOYSA-N 251.333 3.802 30 20 CHED C=CCn1cnnc1S[C@H](CC)c1ccccc1 1322153274 YQHZBGDWDWLTRA-CYBMUJFWSA-N 259.378 3.708 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2cccc(C#N)c2)C1(C)C 1180489222 WVVVOCLYMPSFHS-CABCVRRESA-N 258.365 3.562 30 20 CHED CC(C)(C)ON=Cc1cccnc1NC(=O)OC(C)(C)C 1253789916 YJPSWXVCKDRRFP-UHFFFAOYSA-N 293.367 3.578 30 20 CHED N#Cc1nc(NC[C@@H]2CCc3ccccc3C2)ccc1Cl 1185958596 WUFPBFMBDXRDTI-GFCCVEGCSA-N 297.789 3.824 30 20 CHED CCn1cncc1/C=C1/CCc2c(Cl)cccc2C1=O 1331949648 YADBWXULPPQEGE-FLIBITNWSA-N 286.762 3.769 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(Cl)nc1 1263637711 ZIOSAZDVURLIHT-LBPRGKRZSA-N 279.771 3.698 30 20 CHED CCCCCCCC(=O)OCc1cnc(C2CC2)o1 1348774171 ADMFMHFYBJWOHF-UHFFFAOYSA-N 265.353 3.956 30 20 CHED CC[C@H](C)c1ccc(C(=O)[C@@H](C#N)c2nccn2CC)cc1 1263617016 QGPKWBZYRXFBHP-XJKSGUPXSA-N 295.386 3.907 30 20 CHED C=C[C@](C)(CC)COC(=O)c1nccc2occc12 1344063890 QLDPPEXKDCYJQF-OAHLLOKOSA-N 259.305 3.587 30 20 CHED N#CC[C@@H](OC(=O)/C=C/C1CCCC1)c1ccco1 1347948978 OEMSXYQSFLZKGM-HSBSLETESA-N 259.305 3.524 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1c1cccc(CC#N)n1 1342842006 KDKTVOAMJAHDLZ-WMLDXEAASA-N 277.371 3.530 30 20 CHED CSc1ccccc1C(C)=NNc1ccccn1 1344574874 SBWQVTCNJSEQRO-UHFFFAOYSA-N 257.362 3.640 30 20 CHED Cc1cc(C)c(C(=O)N(O)Cc2cccc3ccccc23)[nH]1 1353963101 KZCUJBFZNOHLSO-UHFFFAOYSA-N 294.354 3.816 30 20 CHED Cc1cccc2c(C(=O)Nc3sccc3C#N)coc12 1350577501 LWGIRDSAKXBROY-UHFFFAOYSA-N 282.324 3.927 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1csc(C#N)c1 1435034362 FABREEHAOJCSBY-SMDDNHRTSA-N 276.405 3.708 30 20 CHED CCn1c(N(C)c2cccc(C)c2)nnc1C(C)(C)CC#N 1352638773 XYKQZVZWTIJJEA-UHFFFAOYSA-N 297.406 3.566 30 20 CHED C[C@@H](NC(=O)c1ccsc1C#N)c1ccc(Cl)cc1 1436622582 NWDJCJYHYYFWTG-SECBINFHSA-N 290.775 3.764 30 20 CHED N#Cc1cccc(CNc2cc(F)ccc2F)c1F 223728529 XTXHHDHLOBTVMK-UHFFFAOYSA-N 262.234 3.588 30 20 CHED Cc1coc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1C 1523893885 GITNJQWRMMBRPQ-NSHDSACASA-N 280.283 3.528 30 20 CHED C=CCCOCCN[C@@H](C)CC(C)(C)c1ccccc1 224759821 BNPFSJKRXQOPMZ-INIZCTEOSA-N 275.436 3.925 30 20 CHED Cc1ccc(C(=O)O)cc1OCc1c(C)cc(C#N)cc1C 1600361460 ULENVCTYAJQIRJ-UHFFFAOYSA-N 295.338 3.761 30 20 CHED N#Cc1cc(Cl)ccc1CNc1cccc(C(=O)O)c1 1608196911 LPORUDOXZARUDN-UHFFFAOYSA-N 286.718 3.522 30 20 CHED COc1cc(NC(=O)c2csc(C#N)c2)ccc1Cl 1538619284 DCWLEYDVLKPCFF-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC[C@@H](C)CON=C1CCC[C@@H](CCCC(=O)O)C1 1604955557 INASRLBXJFENMW-OLZOCXBDSA-N 269.385 3.850 30 20 CHED N#Cc1c(F)cc(C(=O)Nc2ccc3occc3c2)cc1F 1471165759 TZZTZUAQCUVUGS-UHFFFAOYSA-N 298.248 3.835 30 20 CHED O=C(/C=C\c1ccoc1C(=O)O)c1ccc(Cl)cc1 1610651248 NYFRGIBHHWDRGU-UTCJRWHESA-N 276.675 3.527 30 20 CHED COc1cc(C#N)ccc1CN1C[C@H](C)c2ccccc21 1473570444 WFRROZVEYYUQMW-ZDUSSCGKSA-N 278.355 3.691 30 20 CHED C[C@@H](Nc1cncc(C#N)n1)c1cc2ccccc2s1 1472759006 DIZDWNUGGQPQSN-SNVBAGLBSA-N 280.356 3.736 30 20 CHED C=C[C@@H](C(=O)NC1CCC(C(F)F)CC1)c1ccccc1 1548719471 NMYFYGMZEIKYMY-YMAMQOFZSA-N 293.357 3.896 30 20 CHED Cc1cccc2c1CCN2C(=O)Nc1cccc(C#N)c1C 1623221699 ZOYZAARHJFKBJB-UHFFFAOYSA-N 291.354 3.770 30 20 CHED C[C@H]1CCC[C@@H](Cn2c(C(F)(F)F)ccc(C#N)c2=O)C1 1641371672 MDFRIRHZBQNYTL-WDEREUQCSA-N 298.308 3.565 30 20 CHED C=C(Br)CN(CC(C)C)c1cccc(O)c1 1641908659 MLZJKRZRBAVCMF-UHFFFAOYSA-N 284.197 3.763 30 20 CHED N#Cc1cc(=N[C@@H](C2CCCCC2)C2CCC2)cc[nH]1 1651978013 LIDMCHTWZDKEFG-KRWDZBQOSA-N 269.392 3.536 30 20 CHED Cc1cc(SCCN2C[C@@H](C)C[C@H](C)C2)ccc1C#N 1656666710 IQJWWHBWGPAUBN-KBPBESRZSA-N 288.460 3.937 30 20 CHED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1c(Br)cccc1C#N 1651432383 LOMOCUDZTJCKEC-GMTLJSCSSA-N 291.192 3.777 30 20 CHED C=CC[C@@H]1CC[C@H](N[C@@H](CCC(C)(C)C)C(=O)O)C1 1588458483 VRLRBOFUTCJIMS-RDBSUJKOSA-N 267.413 3.600 30 20 CHED N#Cc1cccc(Br)c1NC1CCCC1 1654893719 NATGTKXZFISINZ-UHFFFAOYSA-N 265.154 3.675 30 20 CHED Cc1c(NN=C2CC[C@@H]3[C@H](C2)C3(F)F)cccc1C(=O)O 1776089351 OCOPIXYIZHLBPF-NEPJUHHUSA-N 294.301 3.526 30 20 CHED C=C[C@@H]1CCCN(c2c(C(=O)O)cnc3c(C)cccc23)C1 1776150409 TYLWWPRWXTVJQO-CYBMUJFWSA-N 296.370 3.644 30 20 CHED C=CCc1ccccc1CNCc1ccc(C(=O)O)c(C)c1 1776188596 VPZKLSNLTYANAH-UHFFFAOYSA-N 295.382 3.712 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 1776155092 ZIENUDOFWSSZQZ-LNLFQRSKSA-N 299.414 3.533 30 20 CHED Cc1cc(C)n(CCCNc2ccc(Cl)cc2C#N)n1 134350450 ZZQMSOZJKROCGP-UHFFFAOYSA-N 288.782 3.527 30 20 CHED N#Cc1ccnc(SCc2ccc(Cl)cc2)c1 5933270 GPFZPIDGKMIGCR-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C[C@@H](C#N)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 19623701 FZNJRJPLUBPPNB-YOEHRIQHSA-N 289.382 3.801 30 20 CHED CC(C)(C#N)CNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 167194370 XKWFWPLFDVZEPE-DWLODGJJSA-N 288.435 3.649 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccccc1OCC 151129607 OWSSSXRSDCOTPQ-UHFFFAOYSA-N 260.333 3.759 30 20 CHED N#CCC[C@@H](NC(=O)c1ccc(Cl)o1)c1ccccc1 153688320 KFNYNZXAWRMPPY-GFCCVEGCSA-N 288.734 3.708 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1Cc1ccccc1 156143051 MTLQXMCXVAKMQA-UHFFFAOYSA-N 280.371 3.975 30 20 CHED CCOc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 155984437 CDPFVZMTTVJZRJ-CQSZACIVSA-N 296.370 3.988 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2c(F)cccc2F)c1 154340736 SJGVQWASUNAIDS-UHFFFAOYSA-N 285.293 3.613 30 20 CHED N#CCN(Cc1cc(-c2ccccc2)no1)C1CCCC1 156642738 VSHKCCDICXLGJC-UHFFFAOYSA-N 281.359 3.610 30 20 CHED CN(Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 154473044 ZJZWURLTIBBTTF-UHFFFAOYSA-N 293.414 3.668 30 20 CHED CCc1ccc(OCCOc2ccc(C#N)cc2)cc1 11896100 PVSHETUJULGRFD-UHFFFAOYSA-N 267.328 3.578 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)c1ccn(C)n1 839190890 KQWJMAAIAGLCFE-ZIAGYGMSSA-N 251.418 3.820 30 20 CHED Cc1cc(C#N)nc(NCc2cc(Cl)cc(Cl)c2)n1 1163712006 VDSCTAQIQIRYBQ-UHFFFAOYSA-N 293.157 3.576 30 20 CHED N#Cc1cccc(CN2CCC[C@H]3CCCC[C@@H]32)c1 35174455 SKJWGHFWLIXAHV-SJORKVTESA-N 254.377 3.713 30 20 CHED C=C(C)COCCNC1CCC(c2ccccc2)CC1 163517581 WTFWUJFPLWLGTB-UHFFFAOYSA-N 273.420 3.895 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1noc(C2CC2)n1 279210295 BQZJRWIUAPQUGK-UHFFFAOYSA-N 283.375 3.525 30 20 CHED N#Cc1cnc2ccccc2c1NCC1CC(F)(F)C1 291946996 UDKQJMTYIHGYRK-UHFFFAOYSA-N 273.286 3.564 30 20 CHED CC[C@H](NCc1ccc(F)c(C#N)c1)c1cccs1 184093849 MRECHRZRWPEZPG-AWEZNQCLSA-N 274.364 4.000 30 20 CHED C[C@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1Cl 301934938 QSNNYXFQZHNFLT-QMMMGPOBSA-N 293.157 3.828 30 20 CHED C[C@H]1CCC[C@@H](CNCc2ccc(OCC#N)cc2)C1 193696579 XMBXRUFWCCLSDD-GOEBONIOSA-N 272.392 3.505 30 20 CHED CCc1ccccc1C(=O)Nc1ccc(C#N)c(F)c1 307972340 YWGBLFBUMFJOPM-UHFFFAOYSA-N 268.291 3.512 30 20 CHED COC1(CCNc2cc(Cl)ccc2C#N)CCC1 311191538 CWKPEHINWGZXNN-UHFFFAOYSA-N 264.756 3.583 30 20 CHED CC(C)CC[C@@H](NCc1ccc(C#N)cc1)C1CC1 311531169 GWSOZJDLNAEKTD-QGZVFWFLSA-N 256.393 3.863 30 20 CHED CCC[C@H](NCc1cccc(OCC#N)c1)C1CCC1 324958788 WKCUFSMYJUIYMZ-KRWDZBQOSA-N 272.392 3.647 30 20 CHED CC1CC(C#N)(C(=O)NCc2cccc(Cl)c2Cl)C1 531817551 NRTNPDXRSXCLSC-UHFFFAOYSA-N 297.185 3.549 30 20 CHED CN(C(=O)C1CCCCCCC1)c1ccc(C#N)cc1 86579747 MWJYZKHAKDKRFZ-UHFFFAOYSA-N 270.376 3.882 30 20 CHED CS[C@H]1CC[C@H](N(C)CCCC(C)(C)C#N)C1 687820423 SCLPXVLQDYMNGO-STQMWFEESA-N 254.443 3.532 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]2C[C@H]21 588065921 FOMXBHYOOZXTFU-TVQRCGJNSA-N 266.266 3.566 30 20 CHED CC[C@H](NCc1cccc(OCC#N)c1)C1CCCC1 382811007 NURJUUFIVLTSFI-KRWDZBQOSA-N 272.392 3.647 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(OC)cc1OC 393806832 XDBRCCDZXGNBPS-STQMWFEESA-N 263.381 3.709 30 20 CHED Cc1cc(C)c(C=NNCc2ccccc2)cc1C 916343849 JUGQSLNVWIMTAC-UHFFFAOYSA-N 252.361 3.736 30 20 CHED C=CCCCOC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 117994509 WBXAHMWUEJHWNB-WDEREUQCSA-N 264.287 3.865 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@H]2C2CCCCC2)c1 55599157 WXPOUIZSKIPCQH-KRWDZBQOSA-N 282.387 3.743 30 20 CHED C=CCCCOC(=O)c1cc(C)n(Cc2ccccn2)c1C 117994069 WNABNEUTSDAITF-UHFFFAOYSA-N 298.386 3.671 30 20 CHED COc1ccccc1C(C)(C)NCc1cccc(C#N)c1 103171976 GXBNLWKAQOZQDA-UHFFFAOYSA-N 280.371 3.592 30 20 CHED C=CCSCCNC(=O)[C@@H](C)c1cc2ccccc2o1 176203175 AQUVDDXVKGTWFE-LBPRGKRZSA-N 289.400 3.572 30 20 CHED N#C[C@@H](C(=O)C1CCCCCC1)c1nc2ccccc2[nH]1 102115820 PIODYJLXXFODTG-ZDUSSCGKSA-N 281.359 3.710 30 20 CHED C[C@@H]1CCC[C@@H]1CNc1ncc(Br)cc1C#N 310093136 SNCFREQRQIUJHG-NXEZZACHSA-N 294.196 3.564 30 20 CHED N#CCCCOc1cccnc1NC(=O)CC1=CCCCC1 106767322 YWWPGJKKJFTPBT-UHFFFAOYSA-N 299.374 3.593 30 20 CHED N#C[C@H](C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccn1 171796826 HZKMFACLULAMBP-AWEZNQCLSA-N 287.322 3.567 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CCC2CCCC2)C1 116802473 RGGCXQZCYTYLNE-CJNGLKHVSA-N 262.397 3.545 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(C)c(O)c(C)c1)C2 27554032 VSHWBBOZPFPZML-OVCLIPMQSA-N 294.350 3.840 30 20 CHED C/C(=C\C(=O)N[C@]1(C#N)CCC[C@H](C)C1)c1ccccc1 172308564 NSRXNBKOLSFVQG-KKPOOLQDSA-N 282.387 3.679 30 20 CHED N#Cc1cccc(C(=O)N(CC2CC2)C2CCCCC2)c1 68014001 YHZPAUNYSCIFHV-UHFFFAOYSA-N 282.387 3.743 30 20 CHED C[C@@H](C1CC1)N(C)CC#Cc1ccc(C(F)(F)F)cc1 177267555 XXAAIDHNHSBQOD-LBPRGKRZSA-N 281.321 3.787 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](CC)c1cccc(OC)c1 119775478 RIHVKJVDNBJENX-XJKSGUPXSA-N 292.375 3.671 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 302856505 NGYKXMSKTSKOKB-HEHGZKQESA-N 286.371 3.765 30 20 CHED C=C(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 119636552 SBNXLFUQHCOCQM-UHFFFAOYSA-N 272.304 3.521 30 20 CHED CC(C)CCOc1ccc(Nc2nccnc2C#N)cc1 301432545 PLFAJOTZSJWDHX-UHFFFAOYSA-N 282.347 3.517 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C=C/c1ccccc1 302946742 BXNLPJMOXITIIN-BUHFOSPRSA-N 291.394 3.957 30 20 CHED N#Cc1ccccc1CSc1nnc(C2CC2)s1 173943882 PKELHZPHILHNQP-UHFFFAOYSA-N 273.386 3.579 30 20 CHED N#CCCN(Cc1ccco1)Cc1ccsc1Cl 361497212 OPQXMFRFOBDCKZ-UHFFFAOYSA-N 280.780 3.910 30 20 CHED C=CCCCNC1(c2nc(C)cs2)CCCC1 177172117 HJPCLNNQCPINFY-UHFFFAOYSA-N 250.411 3.777 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)O[C@H](CC#N)c2ccco2)cc1 1345982612 VTNIVGHANORAQM-RHSMWYFYSA-N 297.354 3.965 30 20 CHED CCO[C@@H]1C[C@@H](N(C)c2cccc(C#N)n2)C12CCCCC2 301843164 KLBXOFWIYARDLA-HZPDHXFCSA-N 299.418 3.517 30 20 CHED C=C(C)CCN1CCC(OCC2CCCC2)CC1 351887381 FTIRTJCDQVWJPJ-UHFFFAOYSA-N 251.414 3.624 30 20 CHED Cc1nnc(N2CCCC3(CCCCC3)CC2)c(C#N)c1C 302772217 NIFQUCIKMZGUHI-UHFFFAOYSA-N 298.434 3.906 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)CC(C)(C)C 60391240 RGMUHYVOSCVYBH-UHFFFAOYSA-N 281.739 3.562 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1c[nH]c2ncccc12 69788421 BRFSRJGMMDFJPY-UHFFFAOYSA-N 297.402 3.771 30 20 CHED CCC(=CC(=O)N(CCC#N)CC(C)(C)C)CC 128828485 AAVNDZWTPKEAPK-UHFFFAOYSA-N 250.386 3.521 30 20 CHED CC[C@@H](C#N)NC(=O)C1(Sc2ccccc2)CCCC1 123584400 MPFZOXYWRRBSCC-ZDUSSCGKSA-N 288.416 3.510 30 20 CHED COc1cc(C)c(CN(C)c2ccc(C#N)cc2)cc1OC 301112034 WSFJWDBNEQESIF-UHFFFAOYSA-N 296.370 3.520 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3ccc(F)cc32)c([N+](=O)[O-])c1 301165894 CADHXOVXVNYICB-CQSZACIVSA-N 297.289 3.705 30 20 CHED CC[C@H](C)N(C)CCNc1ccc(C(F)(F)F)c(C#N)c1 218072159 XAAWIIRUOQZZIG-NSHDSACASA-N 299.340 3.719 30 20 CHED Cc1coc2ccc(NC(=O)c3ccc(C#N)cc3)cc12 187315045 GNEYHHPFVQPWAF-UHFFFAOYSA-N 276.295 3.865 30 20 CHED CC1CCC(N(C)Cc2cc(F)ccc2C#N)CC1 229956671 XQDGRYHPLTVIIG-UHFFFAOYSA-N 260.356 3.708 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc(-c2ccccc2)[nH]1 79268547 PVOBLCWYMOSJQC-UHFFFAOYSA-N 294.398 3.815 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCO[C@@H](CC)C1 180443799 CDOXXNZBEOPIMP-IRXDYDNUSA-N 293.451 3.787 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(C#N)cc1 36173235 DPNXJVKUSYIAFN-GFCCVEGCSA-N 282.318 3.515 30 20 CHED C=C(C)CN(C)Cc1ncc(-c2ccccc2)s1 181334427 ZONXEQKKVIUUKP-UHFFFAOYSA-N 258.390 3.818 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nccc2sccc12 189201826 IYKAMLTWXWMZMD-CQSZACIVSA-N 260.362 3.837 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C)c1nnc(CC)o1 411192891 YNXSRHYQMFNJFL-GFCCVEGCSA-N 289.354 3.520 30 20 CHED N#CC1(CSCc2ccc(F)cc2F)CCC1 419420787 DZUQOOGPXZDDKO-UHFFFAOYSA-N 253.317 3.892 30 20 CHED Cc1ncsc1CN(C)CCC1(C#N)CCCCC1 411266840 BFSQPUIRZYDUQB-UHFFFAOYSA-N 277.437 3.748 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCCOc2ccccc21 187838939 RPWXFCDQADKDCE-WMLDXEAASA-N 273.376 3.619 30 20 CHED C=CCOCCSCc1cc(-c2ccccc2)on1 419357494 HSBCEMXBTURPRD-UHFFFAOYSA-N 275.373 3.777 30 20 CHED CC(C)OCc1cccc(Nc2ncc(C#N)cc2F)c1 413084024 MQJHPJIQDHXGHQ-UHFFFAOYSA-N 285.322 3.761 30 20 CHED CC#CCCCC(=O)N(C)c1cc(Cl)ccc1OC 185798155 YQIKRDVICBMQNI-UHFFFAOYSA-N 279.767 3.505 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc3nccn13)CC2 180319593 GEIIHWIMPIEGFH-QINSGFPZSA-N 288.350 3.855 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(C)c2ccc(C#N)cc2)C[C@H]1C 410526494 OLKBZHWLSXSTSD-NFAWXSAZSA-N 270.376 3.593 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)c(C)c1 120583546 BZBWRAFDSJYKOA-UHFFFAOYSA-N 298.317 3.597 30 20 CHED C=C(C)CN(C)C(=O)c1cccc(OC2CCCC2)c1 180435634 FVOVQAOFGLVLCN-UHFFFAOYSA-N 273.376 3.656 30 20 CHED N#Cc1ccc(F)c(CSCCOCC(F)(F)F)c1 184658531 FXIAGVZUKMSART-UHFFFAOYSA-N 293.285 3.509 30 20 CHED COc1cc(C#N)ccc1CN(C1CC1)[C@H](C)c1ccco1 121493925 LBIAKXHDDZBPDI-CYBMUJFWSA-N 296.370 3.885 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 181589619 HIXVUKWPKJQEKC-UHFFFAOYSA-N 293.386 3.710 30 20 CHED CC[C@@H](C#N)NC(=O)c1c(-c2ccccc2)oc(C)c1C 189304498 VSLBSHYLZSHEHM-AWEZNQCLSA-N 282.343 3.595 30 20 CHED Cc1cc2cc(OCC3(C#N)CCC3)ccc2n1C 419117672 VYHJXGAGVIJMPR-UHFFFAOYSA-N 254.333 3.559 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)c1ccc(-c2nccs2)cc1 415838800 RVSFJGSILYLIRE-INIZCTEOSA-N 299.399 3.713 30 20 CHED CC#CCCCc1nc(Cc2ccc(Cl)cc2)no1 184869838 JZECYLSTQSVMKQ-UHFFFAOYSA-N 274.751 3.660 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc2ccc(C)nc12 188507151 HROWDCUVOKOVOP-GOSISDBHSA-N 298.386 3.711 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412150453 CZUDXPXERUONOG-RYQLBKOJSA-N 296.414 3.556 30 20 CHED C=C(C)[C@H](NCc1ccc(F)nc1)c1ccc(F)c(F)c1 189184068 NJPJXSRCSQIWJO-INIZCTEOSA-N 292.304 3.906 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)Nc2cccc(C#N)c2)C1 339099745 YUVXLFXVGOQJJK-GXTWGEPZSA-N 271.364 3.506 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 130188622 ILEVWSBGLHWJEP-ZNMIVQPWSA-N 296.455 3.767 30 20 CHED Cc1ccc(C)c(OCCN(C)Cc2cccc(C#N)c2)c1 506135537 MGNWUPVVSPYFOW-UHFFFAOYSA-N 294.398 3.686 30 20 CHED Cc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)c(C)c1 49151614 GAHMSDAOPDJCQV-CMDGGOBGSA-N 268.360 3.550 30 20 CHED CC(C)CCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505917349 PBMVLEYSPCQBII-ZDUSSCGKSA-N 298.308 3.822 30 20 CHED N#Cc1cc(NC(c2ccccc2)c2ccccc2)ncn1 320155489 VAKKNFKFNUCLHI-UHFFFAOYSA-N 286.338 3.550 30 20 CHED C[C@H](/N=C(/O)c1snnc1C1CC1)C1CCCCC1 329586961 RUSFPOREWNZTEK-VIFPVBQESA-N 279.409 3.689 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)C(C)C)n1 80460277 NWMLTVICRFYMBS-WDEREUQCSA-N 264.394 3.735 30 20 CHED C=CCCCC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 190692282 VODQITFIHIKIIZ-NSHDSACASA-N 277.330 3.780 30 20 CHED CCN(CC#N)C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 506772484 APGJYMIQIABQBW-SWKXRBFHSA-N 290.451 3.991 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 504655632 SGGGTWCWCPRASX-YYESSZKYSA-N 295.386 3.504 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CC1CC(F)(F)C1 412846793 XIIIHDRQMMZMLW-OAHLLOKOSA-N 293.357 3.725 30 20 CHED CC(C)(C)C(=O)CSCC#Cc1ccc(F)cc1 135309704 VJMPTEUURQRKTI-UHFFFAOYSA-N 264.365 3.526 30 20 CHED N#Cc1sc(N2CC[C@H](c3ccccc3)C2)nc1Cl 286106008 FOOZPSOHYXZYRU-NSHDSACASA-N 289.791 3.662 30 20 CHED Cc1cccc(OCCN(CCC#N)CC(C)(C)C)c1 525328637 GWSJNKCPMNYSME-UHFFFAOYSA-N 274.408 3.636 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C2CCCC2)C2CC2)cc1 130214022 DBERUJTXALVZII-AWEZNQCLSA-N 284.403 3.884 30 20 CHED CCC[C@@H](C#N)NC(=O)C(c1ccccc1)c1ccccc1 89527818 NRPRERYIFTYFGR-KRWDZBQOSA-N 292.382 3.627 30 20 CHED C=C(C)CN(C)Cc1cccc(Cl)c1OCC 426152931 IWVGLEUBSIVSRB-UHFFFAOYSA-N 253.773 3.747 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)c1ncsc1-c1ccccc1 328617310 UBNKIRLEPCATEX-STQMWFEESA-N 297.383 3.807 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2cc(C#N)n(C)c2)C1 191382730 HEDPRFLPFNLJAB-SCLBCKFNSA-N 297.377 3.619 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC1CCSCC1 136609415 INHLYNAXGMACOE-UHFFFAOYSA-N 296.480 3.698 30 20 CHED C[C@H]1C[C@@H](C)O[C@@H]1C(O)=Nc1ccc2ccoc2c1 328675456 QUPAZJRIKONBIV-RBZYPMLTSA-N 259.305 3.834 30 20 CHED CCCOc1ncccc1C/N=C(/O)[C@H]1CC12CCCC2 329947556 HBOHFNPMDMPRTO-CQSZACIVSA-N 288.391 3.907 30 20 CHED Cc1ccc(-c2csc(NC(=O)C(C)(C)C#N)n2)cc1 42092011 BIOXEZCFACKCMC-UHFFFAOYSA-N 285.372 3.607 30 20 CHED C=C(CC)COc1ccc(Br)cc1C=O 85059254 MMYUUAXHIKJUIX-UHFFFAOYSA-N 269.138 3.607 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(F)cn1 335715434 VEQTXYKYVZRLKS-GOSISDBHSA-N 295.361 3.650 30 20 CHED C=CCCC(=O)Nc1cnn(-c2ccccc2C)c1CC 192142647 IXVULKHNBRXOJV-UHFFFAOYSA-N 283.375 3.648 30 20 CHED C=CCN(CCOC)Cc1ccc(Cl)c2cccnc12 191762325 YSOGAQMXEGMUDK-UHFFFAOYSA-N 290.794 3.523 30 20 CHED CC(C)c1cccnc1NC(=O)c1cccc(CC#N)c1 337470911 VLQZYQCDYILUKL-UHFFFAOYSA-N 279.343 3.523 30 20 CHED CN(C(=O)CCc1ccccc1Cl)c1ccccc1C#N 337851019 JFNFSACQVZMYTI-UHFFFAOYSA-N 298.773 3.807 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(F)cc1OC(F)F 90399410 COTYJZKPBHVMOK-NSHDSACASA-N 285.309 3.881 30 20 CHED CC1(C)CCC[C@@H](C(=O)N2CCc3c(C#N)cccc32)C1 421659931 ZGJPTVQOXDMITR-CYBMUJFWSA-N 282.387 3.664 30 20 CHED Cc1noc(-c2ccccc2)c1N=C(O)N1C[C@@H]2CCC[C@H]21 330055618 UREAZQGPGDSYSB-UONOGXRCSA-N 297.358 3.680 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/CC(C)(C)CC)c1C 331176463 KCQJVEZNGUYAFJ-NSHDSACASA-N 280.416 3.925 30 20 CHED O=C1CCC(C(O)=Nc2ncc(C(F)(F)F)s2)CC1 330005152 BRANYBWQJRSTIQ-UHFFFAOYSA-N 292.282 3.509 30 20 CHED Cc1c(F)cccc1NC(=O)c1cccc(C#N)c1C 337956308 IDNFNSTYGWQAOZ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)c(Cl)c1 335890428 KPESLMIMNVEOAD-SMDDNHRTSA-N 289.766 3.618 30 20 CHED C#Cc1cccc(NC(=O)/C=C\c2ccc(Cl)cc2)c1 96942669 PSYZNIKMYYKUPS-FLIBITNWSA-N 281.742 3.973 30 20 CHED C=CCN(Cc1cccc(O)c1)Cc1ccccc1F 92404635 URKJOQWHHNKVHN-UHFFFAOYSA-N 271.335 3.720 30 20 CHED C=CCCCSc1n[nH]c(Cc2cccs2)n1 522031458 ZNTUPNGYWANOAW-UHFFFAOYSA-N 265.407 3.515 30 20 CHED C=CCC(C)(C)CNC(=O)N1Cc2cccc(Cl)c2C1 432556700 JVKCGUYDINRXOZ-UHFFFAOYSA-N 292.810 3.968 30 20 CHED CC(F)(F)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 340426743 NSGLNORQUNQELG-GXTWGEPZSA-N 264.319 3.580 30 20 CHED Cc1ccc2c(N[C@@H](C)c3ccc(C#N)cc3)ccnc2n1 435493233 QOQBNSVLNJWQRW-ZDUSSCGKSA-N 288.354 3.983 30 20 CHED C[C@H](CSC(C)(C)C)NCc1ccc(OCC#N)cc1 180547668 YEHGVYXEEAWZPX-CYBMUJFWSA-N 292.448 3.599 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C[C@@H]2c2ccccc2)cc1 340720384 GYZPYYPDLPVDQQ-NVXWUHKLSA-N 276.339 3.691 30 20 CHED COc1ccc(C#N)cc1CN1C[C@@H](C)[C@@H]1c1ccccc1 437573906 COCVRWWLLJNAJX-AUUYWEPGSA-N 292.382 3.760 30 20 CHED Cc1ccc(C#N)c(NCCCCN(C)c2ccccc2)n1 346816727 NFJZBFXLKCFRFF-UHFFFAOYSA-N 294.402 3.590 30 20 CHED N#CCCCNCc1cc(Cl)cc(C(F)(F)F)c1 436416267 SZHBLTIWIDBQBK-UHFFFAOYSA-N 276.689 3.752 30 20 CHED C=CCOCCCC(=O)Nc1cnccc1-c1ccccc1 344221320 PPTSJOCIOQATBV-UHFFFAOYSA-N 296.370 3.670 30 20 CHED Cc1cccc([C@H](C)Nc2cc(C#N)ccn2)c1C 342408984 CINPRROFGVVZEZ-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED CC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1C#N 601914276 VREKIZABWCIBGW-VHSXEESVSA-N 296.823 3.607 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(SC)c1C 341817705 IGHLHZKADAASKZ-SNVBAGLBSA-N 264.394 3.803 30 20 CHED O=C1/C(=C\c2cncs2)Cc2cc(Cl)ccc21 255126665 JXYNXFAAEDVHID-UITAMQMPSA-N 261.733 3.619 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCSC(C)(C)CC1 434380476 SXPGJAQAIXMDPO-ZDUSSCGKSA-N 284.469 3.658 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@H](OCC)C(C)C 348671492 XDKAZZAYJKUGCQ-KRWDZBQOSA-N 289.419 3.652 30 20 CHED N#CC1(CCCSCCC(F)(F)F)CCOCC1 347802625 WMJUXHNHBCROEN-UHFFFAOYSA-N 281.343 3.773 30 20 CHED CCN(Cc1cc(OC)c2ccccc2c1)C[C@H](C)C#N 449015698 LOXJWONCPFUWPV-CQSZACIVSA-N 282.387 3.830 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)c2c(F)cccc2F)CC1 521174869 RHGIAOKCKSHATO-NSHDSACASA-N 294.345 3.633 30 20 CHED C[C@@H](CN(C)c1nc2c(cc1C#N)CCC2)c1ccccc1 608973822 JBJICTQIMOPXPG-AWEZNQCLSA-N 291.398 3.682 30 20 CHED CC(C)[C@@H](CNC[C@@H](C)CCC#N)c1ccccc1 602510803 OKWZZFPMPMQSCW-DOTOQJQBSA-N 258.409 3.956 30 20 CHED Cc1nn(Cc2ccc(-c3cccs3)cc2)cc1C#N 359380972 DPDGODFEPCWETE-UHFFFAOYSA-N 279.368 3.840 30 20 CHED CC[C@@H](N[C@@H](C)CN1CCCCCC1)c1ccc(C#N)cc1 447609337 XWXSEWGTEBETRA-QFBILLFUSA-N 299.462 3.863 30 20 CHED C[C@H](NCCCOc1ccccc1)c1ccc(C#N)c(F)c1 537401593 XEJDTUKPEPUHOY-AWEZNQCLSA-N 298.361 3.817 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc2c1CCOC2 602779818 SAUPLJVACFATBT-UHFFFAOYSA-N 286.419 3.521 30 20 CHED CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(CC#N)cc1 355083742 UBEKEIOOTKWCMI-NSHDSACASA-N 299.296 3.605 30 20 CHED Cc1ccc(C)c(OC2CCN([C@H](C)CCC#N)CC2)c1 351650560 XDEVZXYLVXLQFM-MRXNPFEDSA-N 286.419 3.839 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc(SC)c(F)c1 449697062 JVTBBRRPUSJSCG-YPMHNXCESA-N 283.412 3.525 30 20 CHED CCOC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C(C)C 616094589 GAMZDCJWPXUCAT-ZWKOTPCHSA-N 286.419 3.586 30 20 CHED C=C(CC)CSCC(=O)N[C@@H](C)c1cccs1 358640790 YNPKRRVSVHUSKQ-NSHDSACASA-N 269.435 3.625 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](C)CCc2ccco2)cc1 357629780 SXFBCNBURFSZCU-CQSZACIVSA-N 299.370 3.596 30 20 CHED CCC1(CC)CCN(c2ccc(Cl)c(C#N)n2)C1 446844709 VJHVDXDJTMRSAW-UHFFFAOYSA-N 263.772 3.623 30 20 CHED CCCN(CC(F)F)[C@@H](C)c1ccc(C#N)cc1 264904759 ITDAXQPDCAPWLY-NSHDSACASA-N 252.308 3.596 30 20 CHED C=C(CC)Cn1cnc2sc3c(c2c1=O)CCCCC3 536900973 PXDQBLBHXTUVLP-UHFFFAOYSA-N 288.416 3.693 30 20 CHED N#CCCN(CC1CC1)C(=O)Cc1ccc2ccccc2c1 264067875 NHZYMDYWWQJMBQ-UHFFFAOYSA-N 292.382 3.535 30 20 CHED CCc1ccnc(C/N=C(/N)Nc2cccc(C(C)C)c2)c1 262695048 DIAINHOHJXMHCK-UHFFFAOYSA-N 296.418 3.694 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1cccnc1 352954475 SGHWDYRUVXRVDN-INIZCTEOSA-N 298.434 3.998 30 20 CHED CC(C)C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612366852 XWUYGFIHZZZWJK-PKOBYXMFSA-N 298.430 3.969 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(C)(CC)CC1 538368165 XOYDLBPXFZDEGO-CQSZACIVSA-N 266.429 3.953 30 20 CHED C=C[C@@H](CC(=O)NCCC(C)(C)F)c1ccccc1 618410291 PGVWQULQCAVHLM-ZDUSSCGKSA-N 263.356 3.601 30 20 CHED C[C@@H](NC(=O)[C@H](C)C1CCCC1)c1cccc(C#N)c1 610522836 ZKDTYNZWWBGLCZ-CHWSQXEVSA-N 270.376 3.562 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(C(C)(C)C2CCCCC2)no1 453164046 PVESBFORSZNNNI-BDJLRTHQSA-N 273.380 3.729 30 20 CHED C=CCC[C@@H](CO)N[C@H]1CCCc2c1[nH]c1ccc(C)cc21 453364118 QYMHCABQJOZULQ-KSSFIOAISA-N 298.430 3.770 30 20 CHED Cc1cc(CNC2CCC(OC(C)C)CC2)ccc1C#N 618195232 SMOFXDCVJQPAEY-UHFFFAOYSA-N 286.419 3.693 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(C(F)F)cc1 452777577 VLEBJBRSZRCIQG-UHFFFAOYSA-N 253.292 3.566 30 20 CHED C[C@@H]1CC=C(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 455551171 SISHUULZQYQPFG-IAQYHMDHSA-N 288.778 3.767 30 20 CHED C[C@@H]1CCC[C@H](N[C@H]2CCc3cc(C#N)ccc32)C1 618804736 LSIRDDQAOIWVCE-PVUWLOKVSA-N 254.377 3.714 30 20 CHED C=CCC1(CNC(=O)C23CCC(CC2)C3)CCCC1 456485286 LDZPUZAAYPRJAF-UHFFFAOYSA-N 261.409 3.819 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(C)cc2ccccc12 455749049 ZFPNVUNBNBDBDQ-CQSZACIVSA-N 281.359 3.962 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(C)cc(C(F)(F)F)c1 617032317 ASULZGRQTAMQSC-NSHDSACASA-N 299.296 3.828 30 20 CHED C=CC[C@H](CC)NC1CCN(C2CCCCC2)CC1 367084574 BEECNJYXPFWUFR-HNNXBMFYSA-N 264.457 3.728 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1c(F)cccc1F 274237937 VMJSNJYRWHCENV-SDDRHHMPSA-N 264.319 3.698 30 20 CHED CCC1(CC)CN(C(=O)[C@]2(C#N)C[C@@H]2C)c2ccccc21 450204325 JFMHOGPQGKGJBO-UGSOOPFHSA-N 282.387 3.641 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)Sc1ccc(C)cc1 456829639 PAWNSCLMVFLNDM-CYBMUJFWSA-N 263.406 3.558 30 20 CHED CCC[C@H]1[C@H](C)CCCN1c1nccc(C)c1C#N 543137569 VXLIHYHZFOXIDX-HIFRSBDPSA-N 257.381 3.667 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C 274217187 OVFSZDPYSHLOKV-CPUCHLNUSA-N 299.418 3.501 30 20 CHED CC[C@H](N[C@H](CCOC)c1ccco1)c1ccc(C#N)cc1 278705108 LFHVYNIKQLYQMJ-DLBZAZTESA-N 298.386 3.970 30 20 CHED N#Cc1cc(N[C@H]2CCC[C@@H]2CCO)ccc1C(F)(F)F 275024702 MVOKZRITHGGTIZ-YGRLFVJLSA-N 298.308 3.540 30 20 CHED Cc1cccc(C2(C(=O)NCC(C)(C)CC#N)CCCC2)c1 457986663 IVSUAQXDJSIZNA-UHFFFAOYSA-N 298.430 3.863 30 20 CHED C=C[C@@H](CC(=O)NCCC1(C)CC1)c1ccccc1 279497701 SSAPSRYZBUCCHZ-AWEZNQCLSA-N 257.377 3.653 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(-c2ccccc2)o1 271124715 KFQIDDBNKWPHQZ-CYBMUJFWSA-N 254.333 3.538 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 458997921 JQECGADROUTADI-IAGOWNOFSA-N 286.419 3.930 30 20 CHED C=C(CC)CNC(=O)CCC(C)(C)c1ccccc1 456813693 RBACXOFABVDGDZ-UHFFFAOYSA-N 259.393 3.827 30 20 CHED C#CC[C@@H](NCc1csc(CC)n1)c1ccccc1 270182360 JRYMRLUTVXYQEP-OAHLLOKOSA-N 270.401 3.560 30 20 CHED C=CCCc1nc(Cc2ccc(Br)cc2)no1 546965605 ODXLLSNNVMGDKJ-UHFFFAOYSA-N 293.164 3.542 30 20 CHED C=C(C)CCSc1nnc(-c2ccccc2OC)n1C 274712239 AJAGGYDTEMNTJJ-UHFFFAOYSA-N 289.404 3.549 30 20 CHED CC[C@@H](CC#N)NCc1cc(-c2ccccc2)ccc1O 273886459 SHKSJWPMBIECQC-KRWDZBQOSA-N 280.371 3.841 30 20 CHED CC#CCCCC(=O)Nc1cc(-c2ccco2)nn1C(C)C 279052127 HMTGIPKLXKNOEY-UHFFFAOYSA-N 299.374 3.856 30 20 CHED C=CCC1(NC(=O)c2ncccc2C(F)(F)F)CCCC1 622959009 FZEGEFLBJKMSJV-UHFFFAOYSA-N 298.308 3.719 30 20 CHED C=CCCN(C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C 276333085 QWVOYTOLYHXPSZ-UHFFFAOYSA-N 298.390 3.529 30 20 CHED CC#CCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 543606555 MXOQOXJAGZNFAX-UHFFFAOYSA-N 294.398 3.580 30 20 CHED N#CCc1ccc(NC(=O)N(CC2CCC2)CC2CC2)cc1 280569982 OMDQZZDTBYZWJT-UHFFFAOYSA-N 297.402 3.797 30 20 CHED C=CCCC[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 375853556 QSXGTFMFFHLPBU-MRXNPFEDSA-N 297.446 3.861 30 20 CHED C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1C1CCC1 463108853 UZPTUNBANNMFPM-UHFFFAOYSA-N 298.390 3.874 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(CCC)CC1CC1 460553751 CLRZPPSUIXOCSR-UHFFFAOYSA-N 288.439 3.748 30 20 CHED N#Cc1ccc(CN2CC[C@H](CC3CC3)C2)c(Cl)c1 559416694 RZCBSJDMXIKBMN-CQSZACIVSA-N 274.795 3.834 30 20 CHED C=CCCCCN[C@H](C)c1ccnn1-c1ccccc1 467356714 XWYCUYYMLIPTBV-OAHLLOKOSA-N 269.392 3.879 30 20 CHED Cc1ccc(C[C@H]2CCCN(C[C@@H](C#N)CCC#N)C2)cc1 557704116 IVUBMIAXBNLHSQ-RTBURBONSA-N 295.430 3.693 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1ccc(F)c(C#N)c1 551660136 ZKOVEGCCCQJLBX-GFCCVEGCSA-N 288.366 3.786 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1cccc(C2CCC2)c1 461099327 DNMUSZUOUYJWFW-OAHLLOKOSA-N 298.430 3.955 30 20 CHED Cc1cccc(C(=O)/C=C/c2cn(C(C)C)nc2C)c1 280928542 HCVICSVOBSDAAY-CMDGGOBGSA-N 268.360 3.977 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2cc(C#N)oc2C)c1 280565004 GERGGDQRLHOKGV-GFCCVEGCSA-N 282.343 3.568 30 20 CHED CC(C)(C#N)CNC(Cc1ccccc1)Cc1ccccc1 387646592 CRPYGNPAOMQIFK-UHFFFAOYSA-N 292.426 3.980 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccccc2C)no1 559971087 LFTXYSWKJOBATP-MRXNPFEDSA-N 256.349 3.823 30 20 CHED C=CCCCCNC(=O)N(CC=C)Cc1ccccc1F 474078467 AXXILSSXAQKLDK-UHFFFAOYSA-N 290.382 3.880 30 20 CHED N#Cc1cccc(-c2csc(NC3CCC3)n2)c1 295345934 QHOJSHBUIYTUDX-UHFFFAOYSA-N 255.346 3.646 30 20 CHED Cc1cc2sc(C(=O)NC(C)(C)C#N)c(C)c2cc1C 555508392 DKWPHSJOANGZTQ-UHFFFAOYSA-N 286.400 3.859 30 20 CHED Fc1c(F)c(F)c(OCC2CC(F)(F)C2)c(F)c1F 295702152 JJGZELZXXPBVOJ-UHFFFAOYSA-N 288.162 3.806 30 20 CHED C=CCCCCNC(=O)c1c(-c2ccccc2)noc1CC 476748039 RFOPPUYUAKPFKP-UHFFFAOYSA-N 298.386 3.990 30 20 CHED CC(C)c1ccc(CN(C(=O)CCCC#N)C2CC2)cc1 291187465 OUMXMDCRUYSLQW-UHFFFAOYSA-N 284.403 3.995 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCCC#N 292230521 FODGRQPOKKIHAT-AWEZNQCLSA-N 272.392 3.553 30 20 CHED C=C(Br)CN1Cc2cccc(Cl)c2C1 805805196 LLBRSGKAUWFCGR-UHFFFAOYSA-N 272.573 3.564 30 20 CHED Cc1ccc([C@@H]2CCN([C@@H]3CC[C@H](C#N)C3)C2)c(C)c1 294221647 SKQINADZHHAXSG-GVDBMIGSSA-N 268.404 3.785 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(C)cc(C)cc1Cl 806136072 RHNNTVOUDBDJQW-GFCCVEGCSA-N 278.783 3.880 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)CCC)c1ccc(Cl)cc1F 804418556 PVWLUIHVQZZNFP-QMTHXVAHSA-N 281.758 3.706 30 20 CHED C=C(C)COC(=O)c1ccc(-c2ccccc2F)o1 806056390 UJVXANVJUCFLJE-UHFFFAOYSA-N 260.264 3.819 30 20 CHED C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(C#N)cc1 297175784 KCYWASMSNFTDHM-ACJLOTCBSA-N 294.354 3.637 30 20 CHED N#CCCC1CCN(C(=O)c2cccc(C(F)F)c2)CC1 563537581 MTHKKAUTXFRMFN-UHFFFAOYSA-N 292.329 3.780 30 20 CHED C=CCOCCCN1CCC[C@H]1Cc1ccc(C)cc1 470763967 FGEDCSTUMTWDCA-SFHVURJKSA-N 273.420 3.595 30 20 CHED Cc1cccc2c1[C@@H](OC(=O)C1(C#N)CCCCC1)CCO2 292131082 CXEWDAYONPVULL-HNNXBMFYSA-N 299.370 3.836 30 20 CHED CC(C)(C)c1nc2cc(NC[C@@H](C#N)CCC#N)ccc2o1 566638242 JMQDACHNSWGKIS-GFCCVEGCSA-N 296.374 3.981 30 20 CHED C=CCCCCCCNC(=O)Nc1cc2ccccn2n1 806647985 NJRHQFPDNBTSMH-UHFFFAOYSA-N 286.379 3.592 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2c(cnn2C(C)C)c1 806281124 NSHBLGWBZYWQEF-CQSZACIVSA-N 298.390 3.541 30 20 CHED C=C[C@@H]1CCCCN1CCc1ccc(F)c(F)c1 489492198 GBHMELWUNJXENL-CYBMUJFWSA-N 251.320 3.548 30 20 CHED CC(C)[C@H]1N(C(=O)[C@H](C#N)CCc2ccccc2)CC1(C)C 480575230 ZGCSBMFKZATYCQ-DLBZAZTESA-N 298.430 3.652 30 20 CHED C=C(C)CCNC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 645527314 HBJYSGYTGJQGHR-AWEZNQCLSA-N 298.390 3.580 30 20 CHED CC(Cc1ccc(O)cc1)=NOCc1ccc(F)cc1 814903500 MFXGOPMRBHDUHA-UHFFFAOYSA-N 273.307 3.667 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C 819479273 DQKTVSHREABRMF-MGPQQGTHSA-N 286.375 3.742 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 819964444 MSMLYCDVRQCQTM-CQSZACIVSA-N 289.350 3.653 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1ccccc1OC(C)C 815030488 NYNJADDFLLAECE-GFCCVEGCSA-N 297.345 3.862 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCCC(C)(C)O 488204724 WINRVZGSWOCNSD-LBPRGKRZSA-N 278.421 3.511 30 20 CHED C[C@@H]1C[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)C[C@H](c2ccccc2)C1 576840963 MUDKYIIVCYMQOQ-RIFUYLIYSA-N 296.414 3.625 30 20 CHED N#C[C@H](C(=O)C(F)=C1CCCC1)c1nc2ccccc2[nH]1 815898313 ZEPZBKLDVCYLGJ-LLVKDONJSA-N 283.306 3.537 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(C)c1 485569487 NVXXHCGXUVGEPO-OAHLLOKOSA-N 258.365 3.876 30 20 CHED C=CCCCCCCCNC(=O)c1cnn2ccccc12 811589865 JPZMNHFEGKBODZ-UHFFFAOYSA-N 285.391 3.591 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 482239759 FQRIXWOESXMZQL-PBHICJAKSA-N 298.430 3.822 30 20 CHED Cc1ccc(C(C)C)cc1OC(=O)c1cccc(C#N)n1 810523363 AVSQQVVNCZTNSB-UHFFFAOYSA-N 280.327 3.604 30 20 CHED N#Cc1ccc(CN2CCCC[C@@H]2c2ccccc2)nc1 578664792 YFUMCZIZBCBVFW-GOSISDBHSA-N 277.371 3.680 30 20 CHED C=CCCCCCS[C@@H](Cc1ccc(F)cc1)C(N)=O 485576785 ZBYZLRLSBBJQIX-HNNXBMFYSA-N 295.423 3.702 30 20 CHED CCN(CC)c1ccc(CN(C)CC(C)(C)C#N)cc1F 816632298 CAYNAJAWXXJGNT-UHFFFAOYSA-N 291.414 3.653 30 20 CHED C=CCCN[C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 658113443 HGKDSQRRDRZCTN-HOTGVXAUSA-N 279.811 3.596 30 20 CHED CCSCSc1nc(C(F)(F)F)ccc1C#N 814760194 FALKSJOPNDBGOP-UHFFFAOYSA-N 278.324 3.775 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C=C)c1ccccc1 488823417 YGYAKCCIALJFSN-DOTOQJQBSA-N 269.388 3.913 30 20 CHED Fc1cccc(NN=C2CC[C@H](c3ccccc3)C2)n1 814929872 QQITVMOQTGCPON-ZDUSSCGKSA-N 269.323 3.956 30 20 CHED Cc1cc(SCCOC2CCCC2)ccc1C#N 577633645 RNZOLPYPEUPDDL-UHFFFAOYSA-N 261.390 3.918 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(C#N)o1 814115835 MSCHAPGVUTZYGM-ZDUSSCGKSA-N 274.364 3.582 30 20 CHED CC1(C)CCC(C(=O)Nc2ccccc2CC#N)CC1 573041089 CDTVBMLZQUXYFN-UHFFFAOYSA-N 270.376 3.908 30 20 CHED CCC[C@H](C)N(C)Cc1ccc(C#N)cc1Br 480698025 AWEQEZYVIOZKNS-NSHDSACASA-N 295.224 3.941 30 20 CHED C=CCCn1cc(CN(C)[C@H](c2ccccc2)C(C)C)nn1 653556075 MXOZRUQUHZWFBN-SFHVURJKSA-N 298.434 3.683 30 20 CHED C/C(=C/C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 728624003 UHLNGEOHTRBGLY-LCYFTJDESA-N 295.313 3.844 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H]2CC=CC[C@H]2C)cc1 578904856 SSIGLRVWJMPTDR-ZTFGCOKTSA-N 296.414 3.874 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1O 727781585 QVXJQQKMSVXFJA-BRYHAGSVSA-N 298.342 3.741 30 20 CHED C/C=C(/C=C/C(=O)Nc1cccc(CC#N)c1)CC 492965103 VJQOFMLEQIZOKA-PPIIYGQDSA-N 254.333 3.604 30 20 CHED C=CCN(Cn1ccc(-c2ccc(F)cc2)n1)C(C)C 728706110 KKPHJPYWRUIDJN-UHFFFAOYSA-N 273.355 3.543 30 20 CHED Cc1ccc(C)c(C=NNc2cccc([N+](=O)[O-])c2C)c1 727972938 LXKHZDGMBHMLHM-UHFFFAOYSA-N 283.331 3.966 30 20 CHED C#C[C@H](CC)NC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 821567892 ZAFPTBCZPBDXFU-HUUCEWRRSA-N 288.391 3.627 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1cc(C)cc(C)c1 490016829 ZQCSASYPFBTMEJ-UHFFFAOYSA-N 273.420 3.955 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@H](C)c1c[nH]c2ccccc12 491315203 LOOZETXLVJVXAB-UONOGXRCSA-N 282.387 3.580 30 20 CHED N#Cc1cccc(C=NNc2cccc3cnccc23)c1 728432393 SHZYUDVJNBOMME-UHFFFAOYSA-N 272.311 3.552 30 20 CHED FC(F)(F)c1cccc(C=NNC2CCCC2)c1 727652132 DGSCERRFDXJALL-UHFFFAOYSA-N 256.271 3.572 30 20 CHED Cc1cc(SC[C@H]2CCC[C@H](O)C2)ccc1C#N 582786146 WSFUDTPDYQJDHV-JSGCOSHPSA-N 261.390 3.510 30 20 CHED CC(C)(C)NC(=S)Nc1ccccc1SCCC#N 730952694 BCQRTEIUBDZKJL-UHFFFAOYSA-N 293.461 3.777 30 20 CHED CCCOc1ccc(-c2ccc(OCC#N)cn2)c(F)c1 904753349 KPRWYRKWWPZFEE-UHFFFAOYSA-N 286.306 3.579 30 20 CHED C=CCCNC(=O)Nc1ccc2oc(C)c(C)c2c1 666756899 VHRWKMIPGGSESJ-UHFFFAOYSA-N 258.321 3.747 30 20 CHED CC#CCCNC(=O)Nc1cc(Cl)ccc1OC(C)C 580803880 WWMGSBMEEOYWRX-UHFFFAOYSA-N 294.782 3.662 30 20 CHED CC(C)c1cnc(SCC(C)(C)CC#N)n1C 582976819 UULPKTJPGOUSBB-UHFFFAOYSA-N 251.399 3.575 30 20 CHED C=CCC[C@H](CC)Nc1cccc(N2CCNC2=O)c1C 494530668 UVJGFDZQEGQODK-AWEZNQCLSA-N 287.407 3.681 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C=C1CCCCC1 839424230 FBXSRJNLUAJDBP-UHFFFAOYSA-N 282.343 3.590 30 20 CHED C=CCC1(NC(=O)Nc2ccc(F)nc2)CCCCC1 836465971 KKRJUPKOZANBON-UHFFFAOYSA-N 277.343 3.621 30 20 CHED CCCCOc1ccccc1/C=C1\CCn2ccnc2C1=O 901536541 RHDGILWDJPIVEP-FYWRMAATSA-N 296.370 3.732 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2noc(C)n2)CCCCC1 838153102 AYMKJBRWVQHPKY-NSHDSACASA-N 278.352 3.509 30 20 CHED CCc1nc([C@H](C)/N=C\c2c(O)cccc2OC)cs1 731937610 KSHAPQLUAIHCQY-SYEOYNTFSA-N 290.388 3.600 30 20 CHED CC[C@H](CC#N)NCc1ncc(-c2ccc(Cl)cc2)o1 580208823 OEQCQOPIKKSJQD-CYBMUJFWSA-N 289.766 3.777 30 20 CHED CC(C)(C)c1cnc(C=NNc2ncc(F)cc2F)s1 835023493 JDIVCBPLVDCEOS-UHFFFAOYSA-N 296.346 3.560 30 20 CHED CCO[C@H](c1noc(-c2ccc(C)c(C#N)c2)n1)C(C)C 904123499 QRPUKZIFIIHGRT-AWEZNQCLSA-N 285.347 3.650 30 20 CHED CCC[C@H](C)C(=O)OCCCCC1(C#N)CCC1 908917015 PTSVWFXZHZWURY-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED Cc1cc(N2CCCCCC2)ccc1NC(=O)C#CC1CC1 837632694 XYZMIMIMJIEBRD-UHFFFAOYSA-N 296.414 3.727 30 20 CHED C[C@@H](Cc1ccccc1Cl)Nc1cccc(C#N)n1 736286278 NIPWNTSDWFATHA-NSHDSACASA-N 271.751 3.650 30 20 CHED Cc1cc(OC(=O)c2scnc2C(C)C)ccc1C#N 839340037 PJIUOXHAENPKPY-UHFFFAOYSA-N 286.356 3.666 30 20 CHED N#CC1(CCCCn2ccc3ccccc3c2=O)CCC1 902693289 DBRGKSIZPICXRY-UHFFFAOYSA-N 280.371 3.866 30 20 CHED C=C(C)CCOC(=O)C1(c2cccc(Cl)c2)CC1 744303452 BMHLEIDOVMXVPE-UHFFFAOYSA-N 264.752 3.881 30 20 CHED C=CC[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccncc1 734515731 QAMLMRJRPGWAOE-OAHLLOKOSA-N 285.322 3.660 30 20 CHED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C#CC(C)(C)C 837428424 JJVFXHTUFGUZJW-DZGCQCFKSA-N 287.378 3.580 30 20 CHED C=C(C)CCc1noc(CCCOc2ccc(C)cc2)n1 671671047 XWDRZWDQOOCQBG-UHFFFAOYSA-N 286.375 3.898 30 20 CHED O=[N+]([O-])c1cc(NN=C2CCCC23CCC3)ccc1F 834969328 MYOGAKADQBDISS-UHFFFAOYSA-N 277.299 3.856 30 20 CHED Cc1ccc2ncc(C#N)c(OCCOC3CCCC3)c2c1 580510711 OZPCTWHGORJTIE-UHFFFAOYSA-N 296.370 3.753 30 20 CHED CC(C)(CC#N)CNCc1cc(Cl)cc(Cl)c1O 839162912 DRVUXCUFAVORCQ-UHFFFAOYSA-N 287.190 3.728 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@H](O)CC1 837774595 CQRSBBVXTFHCGI-CVEARBPZSA-N 298.471 3.539 30 20 CHED Fc1cccc(F)c1NN=C1CCc2ccccc21 735615494 QWNIZUPESFIWQH-UHFFFAOYSA-N 258.271 3.727 30 20 CHED C=CC[C@@H](C(=O)Nc1nccn1C1CC1)c1ccccc1 839939009 HIWQUCOHVUFTFK-OAHLLOKOSA-N 281.359 3.516 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(OC)cc2Cl)c1 730970550 ZBKXGQMXMUPAEG-UHFFFAOYSA-N 299.757 3.607 30 20 CHED CCc1cccc2c1N(Cc1ccc(OCC#N)cc1)CC2 732213570 DJQSPLUGPADGMM-UHFFFAOYSA-N 292.382 3.714 30 20 CHED C=CC[C@H](NC(=O)Nc1cccc(OC)c1)c1ccncc1 734516089 TZRGINNMHCGLAI-INIZCTEOSA-N 297.358 3.529 30 20 CHED C#CCOc1ccccc1CNC(=O)C[C@H]1CCCC[C@H]1C 734105260 INWMWEBWLQPZDT-HZPDHXFCSA-N 299.414 3.531 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(C#N)cc1 735615190 LHBVLNBMYKROBX-UHFFFAOYSA-N 271.270 3.673 30 20 CHED CC1(C#N)CCC(NCc2ccc(N3CCCC3)cc2)CC1 830160440 AWBPXQUXOOUWIV-UHFFFAOYSA-N 297.446 3.849 30 20 CHED C#CCC[C@H](C)OC(=O)CCC(=O)c1ccc(Cl)cc1 839032216 LTTWNFCEZVRKLN-LBPRGKRZSA-N 292.762 3.648 30 20 CHED N#CC1(CC(=O)NC2(C(F)F)CCCC2)CCCCC1 597659864 UBUCCUZKJFZBOD-UHFFFAOYSA-N 284.350 3.545 30 20 CHED N#Cc1ccc(CONC(=N)C2CCCCCC2)c(F)c1 746563630 DIUQRTKZUHDTDW-UHFFFAOYSA-N 289.354 3.666 30 20 CHED C=C(C)CCN[C@H](C)c1nc(Br)cs1 834882099 FPDODICPFHJLEV-MRVPVSSYSA-N 275.215 3.522 30 20 CHED CCCCCCCCCNC(=O)CC1(O)CCCC1 746117336 ZVXYBDSIUKNNEP-UHFFFAOYSA-N 269.429 3.548 30 20 CHED C[C@H](c1ccc(F)cc1F)N1CCC[C@H](CC#N)C1 595612410 WKRBTJPFLUABPL-VXGBXAGGSA-N 264.319 3.651 30 20 CHED COc1cccc(C(=O)/C=C\c2cc(C)ccc2OC)c1 747003859 QVOAABNCKXGZKY-HJWRWDBZSA-N 282.339 3.908 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC)C1CCCCC1 679287975 BEYGLVBZYSJNSD-CQSZACIVSA-N 252.402 3.563 30 20 CHED CC(C)C[C@H]1CCCCCN1C[C@H](O)CC(C)(C)C#N 598594196 ZJEPZFAELNIZTL-HZPDHXFCSA-N 280.456 3.578 30 20 CHED CC[C@H](N[C@H]1CCCN2CCCC[C@H]12)c1ccc(C#N)cc1 594520928 RQGOVEJYWCUFTB-GBESFXJTSA-N 297.446 3.616 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(C2CC2)cc1 840720251 YLJVOGKSPLYEEJ-IZZDOVSWSA-N 280.371 3.810 30 20 CHED Cc1cc(NN=Cc2cc[nH]c2)nc2ccc(Cl)cc12 745199740 XEWXQDITASXVDR-UHFFFAOYSA-N 284.750 3.971 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cc2n(n1)CCC2 841628059 LCUWGZIVWCTICX-UHFFFAOYSA-N 282.391 3.591 30 20 CHED C[C@H](COC(=O)c1ccccc1SCC#N)CC(F)F 842437115 KSEMOWKDSQYHDI-JTQLQIEISA-N 299.342 3.750 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H](C)CC2CCCC2)n1 598855973 ZOIJTMPVVUHMTC-LBPRGKRZSA-N 285.391 3.725 30 20 CHED CCC/C=C/C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842943345 VIECVNCOPHZOLK-ZWNMCFTASA-N 260.362 3.553 30 20 CHED C#Cc1cccc(N(CCOCC)Cc2cccs2)c1 741245740 QTGMMLKYPMZNEN-UHFFFAOYSA-N 285.412 3.773 30 20 CHED CCCCC1CCC(C(=O)N(CC)[C@@H](C)C#N)CC1 598348585 BIGOJCVUDSAIBH-NFOMZHRRSA-N 264.413 3.744 30 20 CHED Cc1ccc(/C=C2/Oc3ccccc3C2=O)cc1[N+](=O)[O-] 742435536 CEQIUWOKUGXNSS-OQLLNIDSSA-N 281.267 3.519 30 20 CHED CCC(=NNc1ccccc1[N+](=O)[O-])c1cccs1 916249394 JEWVKPOQWFYQQI-UHFFFAOYSA-N 275.333 3.883 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 596822122 DFQWYCHWFSYCKY-NJAFHUGGSA-N 298.430 3.654 30 20 CHED CCCOc1ccc(NC(=O)C#Cc2ccccc2)c(C)c1 747368369 TUMSYAMVFPSYNZ-UHFFFAOYSA-N 293.366 3.774 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc(CCC2CC2)no1 594530781 TYSNRUCVKVZLQX-LBPRGKRZSA-N 281.359 3.630 30 20 CHED CCOc1ccc(CN(C)[C@@H](C#N)c2ccccc2)cc1 595291313 JSRIZBJHBZQTKX-SFHVURJKSA-N 280.371 3.782 30 20 CHED CCOc1cccc(C=NNc2ccc(Cl)nc2)c1 743450100 GHPDSGMBLVZKMV-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C=C[C@H](C)ONC(=O)N(C1CCC(CC)CC1)C1CC1 845627641 HUGWOJFRDSJYPJ-HSBZDZAISA-N 280.412 3.635 30 20 CHED c1cncc(CON=C2CC[C@@H]3CCCC[C@H]3C2)c1 746588825 TZAHVBQQUWCACU-GJZGRUSLSA-N 258.365 3.945 30 20 CHED CC[C@@H](C)c1ccc(NC(=N)NCC(C)(C)C#N)cc1 849017346 SRHFWIVZLGPAAH-GFCCVEGCSA-N 272.396 3.686 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc2nc(C(C)C)sc2c1 593423742 IQLKYKUQXAZHPA-JTQLQIEISA-N 287.388 3.908 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@@H]2C[C@H]12 591243970 VCVCPVBONYHZPI-UBDQQSCGSA-N 266.388 3.714 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCc2c(F)cccc21 747816187 VBUVLPHOVIWGMP-SFHVURJKSA-N 295.357 3.615 30 20 CHED C#CC1CCN(C(=O)c2oc3c(C)cccc3c2C)CC1 843707850 IPSMJIBEJFFDTE-UHFFFAOYSA-N 281.355 3.535 30 20 CHED C/C(=C/C(=O)N[C@H](C#N)C1CCCCC1)C(C)(C)C 748720306 SHJDGCRBCYJNDW-GAJOTYCWSA-N 262.397 3.567 30 20 CHED C=C(C)CNc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 921190135 JBNXQYXJKZIDGO-HNNXBMFYSA-N 286.419 3.998 30 20 CHED CCc1nc(C=NNc2cc(C)cc(C)c2)cs1 755566544 WLYPTFUVBSLVQK-UHFFFAOYSA-N 259.378 3.768 30 20 CHED CC(C)c1ncc(C=NNc2ncccc2Cl)s1 758372591 ORPITBOGTMUKNS-UHFFFAOYSA-N 280.784 3.761 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2[C@H]3CCCCCC[C@H]23)n1 850736805 NJZXQXHJHVGHIH-RWMBFGLXSA-N 288.416 3.844 30 20 CHED CCO[C@H](CN[C@H](C)CC(C)(C)C#N)c1ccccc1 926299738 QDMDLLWIHBCIMW-GDBMZVCRSA-N 274.408 3.682 30 20 CHED C#C[C@H](CC)NC(=O)c1sc(-c2ccccc2)cc1OC 754379847 YZSXCABNBWDFQC-CYBMUJFWSA-N 299.395 3.565 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(C2CC2)cc1)c1ccccn1 850818755 FLIXRXSKMTUZLF-GOSISDBHSA-N 291.350 3.880 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(Br)n1 926350024 GANSYBXZJMGMIE-WDEREUQCSA-N 283.213 3.849 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)CCc1ccccc1)OCC 756479595 KMJKMTGOXGBBCC-DOTOQJQBSA-N 290.403 3.922 30 20 CHED CC(C)[C@@H]1C[C@@H](CC(=O)O[C@H](C)CC(C)(C)C#N)CCO1 851205333 FEZUNOVLCGKFCU-ILXRZTDVSA-N 295.423 3.699 30 20 CHED Fc1cccnc1NN=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853343540 IVLFOUHNYCUGSD-ZJUUUORDSA-N 289.276 3.987 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3cccnc31)CC2 927061292 NAGNWDZKWXWIGE-QZTJIDSGSA-N 289.382 3.608 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1Cl)c1cnccn1 753718236 UUGQTPKQTUQCPU-DAFODLJHSA-N 279.126 3.680 30 20 CHED C#CCCc1noc(-c2ccc(C)c(C(F)(F)F)c2)n1 858688845 SSMJMZJJWXCICL-UHFFFAOYSA-N 280.249 3.630 30 20 CHED C=CC[C@H]1CCCN(C(=O)C=C(C2CC2)C2CC2)C1 855438186 CEMMNGQCRKEHRC-ZDUSSCGKSA-N 259.393 3.548 30 20 CHED C=C(Cl)CSCC(=O)N[C@@H](c1ccccc1)C1CC1 853783279 KAJNQROOGHPYKW-HNNXBMFYSA-N 295.835 3.740 30 20 CHED CCc1nc(C)c(C(C)=NNc2ccnc(Cl)c2)s1 853394287 LAVVYHDNMDNLMC-UHFFFAOYSA-N 294.811 3.898 30 20 CHED C#CCNC(=S)Nc1cc(Cl)ccc1SC(C)C 758230670 SIJJHCSJBLBHAN-UHFFFAOYSA-N 298.864 3.760 30 20 CHED Cc1ccc(-c2cccc(C=NNC3CC3)c2)cc1 758132476 HCVTVVJBVRICOW-UHFFFAOYSA-N 250.345 3.748 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1F)c1cncc(F)c1 758062870 PFLJZIZSGSAIKN-HSFFGMMNSA-N 289.256 3.951 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Nc1cc(C#N)ccc1O 755621793 CTEBQKSYXDBLRE-LLVKDONJSA-N 274.364 3.665 30 20 CHED C=C[C@@H](OC(=O)CC(C)(C)CC(C)=O)c1ccccc1 851452967 ZHGQWKWZVYIYHK-OAHLLOKOSA-N 274.360 3.852 30 20 CHED CCC[C@H](C#N)NC(=O)/C(C)=C/c1ccccc1Cl 755823755 ZUWCYKDNKFVTQV-YGNAEDSMSA-N 276.767 3.552 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(-c2ccon2)cc1 933718613 PDXFVPSOSUTVBR-UHFFFAOYSA-N 285.347 3.675 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccccc1Br 860458412 RUAHNXSAOIHSAN-UHFFFAOYSA-N 296.164 3.684 30 20 CHED Fc1ccc(C=NNc2ncccc2Cl)c(Cl)c1 767774836 CEXAMCGGPBBOQZ-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C#CCCCN(Cc1csc(Br)c1)C1CC1 766934254 FDTAZVUZJHBRHC-UHFFFAOYSA-N 298.249 3.888 30 20 CHED CCn1nc(C=NOCc2ccccc2)c2ccccc21 769775221 REPKRVRFIRYXRS-UHFFFAOYSA-N 279.343 3.607 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNC(=S)Nc1ccccn1 769585946 QWVMQXBNXQDRCR-RYUDHWBXSA-N 290.436 3.570 30 20 CHED C[C@H](C(=O)OCc1ccccc1C(C)(C)C#N)C1CC1 768038664 CYOMSIPYTLCBPM-LBPRGKRZSA-N 271.360 3.577 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC(C3CC3)CC2)c1 931700903 KQDLQSSEVYUEDF-UHFFFAOYSA-N 283.375 3.521 30 20 CHED Fc1ccccc1C=NOCc1ccn(C2CCCC2)n1 763172506 OOKNLQVBZLOOIW-UHFFFAOYSA-N 287.338 3.688 30 20 CHED CCCCCCCCCc1nc(-c2nccn2C)no1 762120750 LDJPFPGVJTZHPF-UHFFFAOYSA-N 276.384 3.763 30 20 CHED C#CCN[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 764599411 NSLHLUDWYRFQKA-AWEZNQCLSA-N 283.346 3.689 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(C#N)ccc1C 932039106 FNJUHCAYGPVOFV-UHFFFAOYSA-N 297.402 3.659 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 767121854 JPHQAIVDXBESMX-MRXNPFEDSA-N 296.414 3.714 30 20 CHED C#CCOc1ccccc1-c1noc(C(CC=C)CC=C)n1 761996217 KPCLDEZAUVDDSF-UHFFFAOYSA-N 294.354 3.984 30 20 CHED C=CC[C@H](N[C@@H](COC)Cc1ccccc1)c1ccncc1 766020902 QVZSBDSHIDLHFR-MOPGFXCFSA-N 296.414 3.546 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1nc2ccccc2o1 860198000 LZLRBTKZKKZJPO-NSHDSACASA-N 286.331 3.762 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 864254521 QTFVUVRHNWGIGS-UHFFFAOYSA-N 274.364 3.658 30 20 CHED CCCCCCCCC(=O)OCc1cc(C)nn1C 766421603 OMYQQGVKYBBKOO-UHFFFAOYSA-N 266.385 3.522 30 20 CHED C=CC[C@H]1N(C[C@@H](O)c2ccccc2)CCCC1(C)C 769953749 PJSBFKOHBVUBNW-IAGOWNOFSA-N 273.420 3.787 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccc(OCC#N)cc2)c1 769911042 VSQMFPJXLWIWPK-UHFFFAOYSA-N 298.361 3.669 30 20 CHED CC#CCCCC(=O)O[C@@H](C)C(=O)c1ccc(C)c(C)c1 767675728 MHKPNOMYRIGALW-HNNXBMFYSA-N 286.371 3.611 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H]2CCc3ccccc3C2)n1 763181512 YRARZJMYTQJDJR-OAHLLOKOSA-N 295.411 3.615 30 20 CHED COc1ccsc1/C=C1\COc2c(F)cccc2C1=O 764431694 DSVGBBICYSZVBM-VQHVLOKHSA-N 290.315 3.555 30 20 CHED Cc1ncccc1CSCc1ccc(C#N)cc1F 1117647808 MXOSQOIPXBCUGR-UHFFFAOYSA-N 272.348 3.834 30 20 CHED COc1ccc(NN=Cc2cc(F)cc(Cl)c2)cc1 776726599 RKXNUQBENONDAV-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C[C@H](CCC#N)CNc1ccc([C@H](O)C(F)(F)F)cc1 877667620 QBKVDCIUGUOZON-MFKMUULPSA-N 286.297 3.634 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(C#N)cc2F)c1 772802247 LQKMNBXTJNMTTL-FPLPWBNLSA-N 281.286 3.602 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2ccccc2OCC#N)[C@@H]1C 779273484 HKKKUKSYXRPCRE-NFAWXSAZSA-N 287.359 3.570 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OCC2CC2)cc1 779913315 MWNJJEFJBQHJRR-UHFFFAOYSA-N 285.387 3.998 30 20 CHED N#Cc1cccc(COC(=O)CCC2CCCC2)c1F 774882483 IVUQXYXHLYXDFI-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(OCC#N)cc1 772960574 TWCQSPUOTATQCN-STQMWFEESA-N 299.349 3.535 30 20 CHED CC(C)Oc1ccccc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 774594023 WSNLDEBBXFEYRU-OFQRWUPVSA-N 272.392 3.586 30 20 CHED C[C@H](C(=O)O[C@H](CC#N)c1ccco1)c1ccsc1 1123462918 OLDRXAIHCKMCEE-GXFFZTMASA-N 275.329 3.643 30 20 CHED N#Cc1ccc(NC(=O)CCCc2cccnc2)cc1Cl 1124359884 XVDJIGAKRCDRHC-UHFFFAOYSA-N 299.761 3.568 30 20 CHED CC(C)(C)[C@@H]1CCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1123386007 XUHXKUUBCIINBW-ZDUSSCGKSA-N 291.782 3.864 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCC[C@@H]2SCC)CC1 889350694 JSVMLUZNECMCLX-KGLIPLIRSA-N 267.438 3.523 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ncc(C)cc1C 779745336 KPBXSCRFCZBYPY-UHFFFAOYSA-N 286.400 3.588 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 1122732110 RONAXGCIMKCTPS-TUUVXOQKSA-N 275.392 3.828 30 20 CHED CCC[C@H](C(=O)OCCCC(C)(C)C#N)C(C)C 784447837 WQAGJAKVLAQEPI-ZDUSSCGKSA-N 253.386 3.932 30 20 CHED C=CC1(OC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 893365379 KUKSLSGUFOMTOG-VHSXEESVSA-N 262.271 3.617 30 20 CHED Cc1cc(COC(=O)c2cccc(F)c2F)ccc1C#N 783389439 OCDMLQRATBWXFE-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNCCC(=O)OC(C)(C)C 783865906 KBNUQUUXSXMAAY-GFCCVEGCSA-N 282.428 3.510 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)c1cccc(Cl)c1 783981938 HSPQYWAKACXLLW-NSHDSACASA-N 280.751 3.811 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](F)C(C)C 784024027 JNBFHROGWLJWNW-GFCCVEGCSA-N 289.803 3.910 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 893197935 FFYOKIULHASHIZ-NVXWUHKLSA-N 293.370 3.594 30 20 CHED N#C[C@@H]1CCCN(Cc2csc3ccccc23)C1 79830136 GPXLOPANBYXYRH-LBPRGKRZSA-N 256.374 3.637 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1nc2ccccc2s1 794938558 MGZACQHTALSQIW-BQYQJAHWSA-N 297.383 3.970 30 20 CHED C=C(C)CCN1CCC(N(C)c2ccccc2)CC1 509341261 ITZNRODXZAOOBA-UHFFFAOYSA-N 258.409 3.553 30 20 CHED CCc1ccc2occ(C(=O)N[C@@H](C#N)CC(C)C)c2c1 795990440 PKLHQXAEJFKJSD-CYBMUJFWSA-N 284.359 3.663 30 20 CHED C=C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(C)(C)C 798903158 SDDCATQLVRTKRN-HNNXBMFYSA-N 271.360 3.854 30 20 CHED CC(C)C(CN(CCC#N)Cc1cccnc1)C(C)C 551557009 BPAWIKJKEJETRN-UHFFFAOYSA-N 273.424 3.725 30 20 CHED COC1(C=NNc2cc(F)c(F)cc2F)CCCCC1 790164405 PICWVQXDBVLHEN-UHFFFAOYSA-N 286.297 3.851 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc(OC)c(Cl)c1 798375203 FQRDBDINLQBICA-JTQLQIEISA-N 298.839 3.990 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc2c(s1)CCC2 189909052 XOBYAMDCGRHSNB-UHFFFAOYSA-N 290.432 3.781 30 20 CHED c1cncc([C@H]2CCCC(=NN[C@@H]3C[C@H]4CC[C@H]3C4)C2)c1 799883498 FKRWVBJYFAEOTO-YRBFXIGRSA-N 283.419 3.873 30 20 CHED CCO[C@@H]1CCC[C@H](Nc2cc(C)cc(C#N)c2)C1 721170571 WYHIXUISHHFJIU-GOEBONIOSA-N 258.365 3.626 30 20 CHED CCCCCCCN[C@H](C)c1ccc2c(c1)OCC(=O)N2 796858247 UDDJIMFTROODPY-CYBMUJFWSA-N 290.407 3.639 30 20 CHED C[C@@H]1CN(CCCC2(C#N)CCOCC2)Cc2ccccc21 799108773 JDYWYNBHQUPOLB-MRXNPFEDSA-N 298.430 3.706 30 20 CHED Cc1cccnc1NN=Cc1ccccc1OC(C)C 790191021 PCOOUOLEXKCURC-UHFFFAOYSA-N 269.348 3.623 30 20 CHED C(=Nn1cnc2ccccc21)c1ccc2occc2c1 794888240 GSBVUEJPVUZMNB-UHFFFAOYSA-N 261.284 3.665 30 20 CHED COc1cccc2c1CCC[C@H]2NCc1ccc(C#N)cc1 799715483 QVATYSDWSLFRCD-GOSISDBHSA-N 292.382 3.734 30 20 CHED Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1O 793706965 PXTIXQBIWQYXPI-UHFFFAOYSA-N 294.354 3.754 30 20 CHED COc1cc(O)ccc1/C=C/C(=O)c1cccc(Cl)c1 1317913235 PAUNRETYOVVDSU-SOFGYWHQSA-N 288.730 3.950 30 20 CHED C=C(C)CN(CC)C(=O)c1c(C)[nH]c2ccc(OC)cc12 1319386449 HPLFSYGNGDRMBW-UHFFFAOYSA-N 286.375 3.523 30 20 CHED Cc1cc(CN2CC[C@H](CC(C)C)C2)ccc1C#N 1663953664 DWEMSWPVWYYSSN-MRXNPFEDSA-N 256.393 3.735 30 20 CHED CC1(C#N)CCC(NCCCOCc2ccccc2)CC1 1173586343 PDCZWCHUXQTXLI-UHFFFAOYSA-N 286.419 3.655 30 20 CHED C[C@H](C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F 1318749482 DNZUHYUJDLDXBT-JTQLQIEISA-N 286.281 3.579 30 20 CHED CC(C)[C@]1(C)C[C@@H]1c1nnc(-c2cccc(C#N)c2)o1 1327001549 YQBWQPFXAQLQJQ-CJNGLKHVSA-N 267.332 3.758 30 20 CHED CC1(C)CCN(c2c(Br)cccc2C#N)CC1 1655077868 OMIHQJXNAQKVJT-UHFFFAOYSA-N 293.208 3.947 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1cccc(C#N)c1C 1321222582 JJNPJBLRUVTWEC-UHFFFAOYSA-N 292.382 3.837 30 20 CHED C=CCC1(C(=O)Nc2cc(F)cc(OC)c2)CCC1 1324532258 CKOXJDFMRCHSCY-UHFFFAOYSA-N 263.312 3.519 30 20 CHED O=C(CC#Cc1ccccc1)NCCC1=CCCCCC1 1320554863 OPYDINKARJBPIM-UHFFFAOYSA-N 281.399 3.825 30 20 CHED N#Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cs1 1325110911 ISWONYXXTGUQGY-SGMGOOAPSA-N 288.416 3.708 30 20 CHED N#Cc1ccccc1/C=C/c1nnc(CC2CCCC2)o1 1322390327 PHSOLODKWLPMBY-MDZDMXLPSA-N 279.343 3.844 30 20 CHED Cn1cc(CSc2cccc(F)c2C#N)c(C(F)F)n1 1189432591 INKAJQAYZDBNIN-UHFFFAOYSA-N 297.305 3.661 30 20 CHED CCN(CC(C)C)c1nc(C(C)(C)C)ccc1C#N 1651320921 HNONJBLWJDJTFR-UHFFFAOYSA-N 259.397 3.733 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1ccccc1C#N)C2=O 1335769038 URBNYGGXAXYALM-CXUHLZMHSA-N 289.334 3.834 30 20 CHED C=C(C)CCC(=O)N1CCO[C@H](c2ccc(CC)cc2)C1 1338964774 SJPPPENFDWOVGL-KRWDZBQOSA-N 287.403 3.505 30 20 CHED C=C(C)CCC(=O)N1CCC(Nc2cccc(C)c2)CC1 1336374451 OIRJFOHSPXQBPV-UHFFFAOYSA-N 286.419 3.754 30 20 CHED CCCN(Cc1ccccc1F)C[C@@H](C)CCC#N 1182909894 KQZPORFEQHYWHI-AWEZNQCLSA-N 262.372 3.978 30 20 CHED N#CCCCCCC(=O)Nc1ccccc1-c1ncco1 1331462645 PPAJABLAFMCPFT-UHFFFAOYSA-N 283.331 3.754 30 20 CHED C[C@@H](OC(=O)CC(C1CC1)C1CC1)c1ccc(C#N)cc1 1330905521 XBUAYFCJGVYRPJ-GFCCVEGCSA-N 283.371 3.989 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)cc1C(F)(F)F 1344696467 AOLIJPAYSHDIJF-CMPLNLGQSA-N 297.276 3.863 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)CC(C1CC1)C1CC1 1345018447 YULLQBPFDYSWFY-UHFFFAOYSA-N 296.370 3.526 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)Cc2cc(Cl)cc(Cl)c2)C1 1347247559 XHOFPNZWOLACSI-NOZJJQNGSA-N 298.169 3.771 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 1357432819 AEZUJJZHNAETBM-NSHDSACASA-N 267.319 3.841 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1ccc2c(c1)CCO2 1518522273 NPCYFPXSTLZXFV-GFCCVEGCSA-N 287.359 3.556 30 20 CHED CCc1c[nH]c2ncnc(N[C@@H](C)c3cccc(C#N)c3)c12 1458588916 FUTSIWOOCZJWLY-NSHDSACASA-N 291.358 3.565 30 20 CHED C[C@@H](C(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 1521475050 NUJHOQKKCCVTRV-LLVKDONJSA-N 284.746 3.954 30 20 CHED N#Cc1cccc(CN2CCC[C@H]3CCCC[C@@H]32)c1F 223517652 SGFIPONUHRUZBK-CJNGLKHVSA-N 272.367 3.852 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 1293055841 MKJWKAXKNURFJP-LLVKDONJSA-N 299.305 3.501 30 20 CHED C=C(Cl)CNC(=O)NCC[C@H](C)CC(C)(C)C 1469804078 LKWWWMUIBXVAOU-JTQLQIEISA-N 260.809 3.501 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)CC2 113310540 DBIXCLBUDRBFIS-SFHVURJKSA-N 262.356 3.644 30 20 CHED C=C(C)CCSCCc1ccccc1C(=O)O 1602761106 VBZSLPUTUNSFME-UHFFFAOYSA-N 250.363 3.627 30 20 CHED Cc1ccc2c(c1)CCN2Cc1ccc(C#N)c(C)c1 1474494136 LPMVIXNCIJIQFA-UHFFFAOYSA-N 262.356 3.738 30 20 CHED Cc1cc(NC(=O)C[C@H](C)C2CCCCC2)ncc1C#N 1611360842 LRUWENFVLUZHPD-ZDUSSCGKSA-N 285.391 3.807 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2C[C@H](C)CCC#N 1474462566 KMFULJZPGBKGSG-KGLIPLIRSA-N 258.365 3.522 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@]2(C)CCCC[C@@H]2C)c1 1625601928 RWVLSCCBLBIQRO-SUMWQHHRSA-N 285.391 3.957 30 20 CHED CC1CCN(CC[C@H]2CCCN2CCC(C)(C)C#N)CC1 1620498414 MRAAFYYKVUHTCN-QGZVFWFLSA-N 291.483 3.513 30 20 CHED N#Cc1ccc(Sc2nc(Cl)cs2)c(F)c1 1639492579 DTQDHWFAYDGVAB-UHFFFAOYSA-N 270.741 3.958 30 20 CHED C=C(Cl)CN(C)c1ccc(Br)cc1 1560164182 OCPDYZQBTSVYGO-UHFFFAOYSA-N 260.562 3.638 30 20 CHED CC(C)(C)[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(F)cc1 1639647128 YTANTHSVLJNMSZ-MRXNPFEDSA-N 283.350 3.714 30 20 CHED Cc1ccnc(N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1C#N 1640036134 MJZWPIGMEMLNMH-KWCYVHTRSA-N 257.381 3.888 30 20 CHED C=CCCCCC[C@H](C)N[C@H](CC(C)(C)C)C(=O)O 1588798383 CSSWCGVFZNQMCR-UONOGXRCSA-N 269.429 3.990 30 20 CHED Cc1cc(C#N)cc(NCc2c[nH]nc2-c2ccsc2)c1 1656436197 ODNHPMUDQPMFLE-UHFFFAOYSA-N 294.383 3.930 30 20 CHED C[C@H]1CC(NC(=O)Nc2cc(F)cc(C#N)c2)C[C@H](C)C1 1664072028 JDPZVJJFWJHGMZ-GHMZBOCLSA-N 289.354 3.644 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1sccc1C#N 1678969355 YHTNHBOQEBDLTC-YPMHNXCESA-N 291.420 3.958 30 20 CHED C=CCN(Cc1ccc(C(=O)O)cc1)Cc1cccc(F)c1 1776179902 YIHXHEVAZMSGCJ-UHFFFAOYSA-N 299.345 3.712 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C)c(C(=O)O)c2)ccc1O 1777418530 SQNIFNOYCLKCJF-ALCCZGGFSA-N 296.322 3.603 30 20 CHED Cc1ccc(C=NN[C@@H](C)C2CCCCC2)cc1C(=O)O 1776040373 MGYFSZJOJYBNQD-ZDUSSCGKSA-N 288.391 3.586 30 20 CHED CC1(C)CC(NC(=O)NCC2(C#N)CCC2)CC(C)(C)C1 1685946331 UUHXKMRLXHZEFN-UHFFFAOYSA-N 291.439 3.584 30 20 CHED Cc1cccc(CNc2ncccc2OCCCC#N)c1 162251940 NSYRFZDIRTXACE-UHFFFAOYSA-N 281.359 3.685 30 20 CHED CCC1(C(=O)OCc2ccc(C#N)cc2)CCCC1 163249056 WXMGLOOFZKOJOD-UHFFFAOYSA-N 257.333 3.572 30 20 CHED N#Cc1ccc(SCc2nccs2)c(Cl)c1 163312961 PKADRRPRRVEKHR-UHFFFAOYSA-N 266.778 3.960 30 20 CHED N#Cc1ccc2[nH]c(-c3sccc3Cl)nc2c1 168634842 BJZDNHLRKBMAPD-UHFFFAOYSA-N 259.721 3.816 30 20 CHED C=C(C)CN(CC)[C@H](C)c1ncc(C(C)(C)C)o1 152547553 BMAZAQIHWABYQQ-GFCCVEGCSA-N 250.386 3.931 30 20 CHED CCCCCCCC(=O)NC[C@H](C)c1c(C)noc1C 152889120 PPIBWJRAXZDBGS-LBPRGKRZSA-N 280.412 3.872 30 20 CHED C=CCN(C)C(=O)c1cc2c(ccc3ccccc32)[nH]1 154182469 JTKLZPAOZYWUAQ-UHFFFAOYSA-N 264.328 3.579 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1NCCCC(C)(C)C#N 154302739 BIKDAEPXKMKVSF-UHFFFAOYSA-N 275.352 3.954 30 20 CHED C=CCCCCCN(C)C(=O)C1(c2ccccc2)CC1 156857157 WOXYUCUTUMCNLY-UHFFFAOYSA-N 271.404 3.923 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1nc2ccccc2o1 159321153 KUCJSOOFYZWVCC-UHFFFAOYSA-N 270.332 3.559 30 20 CHED C#Cc1cccc(CNCc2ccc(CC)s2)c1 825227119 QLTHVCOHAXIOBL-UHFFFAOYSA-N 255.386 3.582 30 20 CHED N#Cc1cccc(NC(=O)c2cc(Cl)ccc2Cl)n1 1277168548 SIKHYHGUYNUODP-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1ccc(S(=O)(=O)CCCCC(C)(C)C#N)c(C)c1 235793054 LEMQUQWNWFCHCO-UHFFFAOYSA-N 293.432 3.797 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2ccc(CC#N)cc2)c1 163984704 HZQVCAAABNOFTO-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#Cc1ccc(NCc2cc(F)cc(F)c2)c(F)c1 165301775 WCZRSBOCEZHXAV-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CCc1nc(C#N)cc(Oc2cc(C)ccc2Cl)n1 308273462 URWJSCNPFQIZJS-UHFFFAOYSA-N 273.723 3.665 30 20 CHED C[C@@H](Cc1cccc(F)c1)Nc1cccc(CC#N)c1 313405867 CUGTZAWLEFXBJW-ZDUSSCGKSA-N 268.335 3.935 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)CSC 470648395 JICSWBXADBKXSN-CQSZACIVSA-N 277.433 3.590 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cc(F)cc(C#N)c1 720321768 NAFBBPGDGVKXMV-GFCCVEGCSA-N 262.328 3.708 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc3ccccc23)C1 397812444 IUXWOGRFQWOJGH-HNNXBMFYSA-N 264.372 3.965 30 20 CHED CC#CC(=O)N(C)[C@H](CC)c1cc(Cl)cc(Cl)c1 1887497403 YLVASQOQLZNLPI-CYBMUJFWSA-N 284.186 3.926 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)o1 57739136 ZCSLWHAXVPKCTE-YSKGHYERSA-N 281.311 3.775 30 20 CHED C[C@H](CC(=O)N[C@H](C#N)c1ccccc1F)c1ccccc1 108797899 YIBORNCZNPBUMN-CXAGYDPISA-N 296.345 3.700 30 20 CHED CCCCCCCCC(=O)N[C@H]1c2ccccc2C[C@H]1O 104577942 VCYLRKJJLRYYQO-AEFFLSMTSA-N 289.419 3.512 30 20 CHED CC1(C)/C(=C/c2cncs2)C(=O)c2ccccc21 178323536 PIUWUPYBCVMMDA-NTUHNPAUSA-N 255.342 3.701 30 20 CHED CC(C)c1ccc(CN2CCN(CCCCC#N)CC2)cc1 57599349 RZTDTMGTBOUUIC-UHFFFAOYSA-N 299.462 3.621 30 20 CHED CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(C#N)cs1 177090066 POQQBZZAJHJMAC-AWEZNQCLSA-N 299.399 3.628 30 20 CHED C#CCCCNC(=O)Nc1cccc(Cl)c1Cl 174365089 YNMWCYBMOCCGGE-UHFFFAOYSA-N 271.147 3.528 30 20 CHED C[C@@H]1C[C@H]1CNc1cc(Br)c(C#N)cc1F 309517647 ZACXBCLLLPQXSJ-APPZFPTMSA-N 283.144 3.528 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(F)cc1OC(F)F 119362098 BLAQXRWBAQEIIE-DTWKUNHWSA-N 259.271 3.652 30 20 CHED C[C@@H](SCc1ccccc1)C(=O)OCC1(CC#N)CC1 174739058 UERXOTBULGHLPO-CYBMUJFWSA-N 289.400 3.545 30 20 CHED C=CCCC(=O)Nc1ccc2ccn(CCC)c2c1 175253876 FRYZWWHSVPTGFD-UHFFFAOYSA-N 256.349 3.956 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1C 24034436 SWYTUIJNXJAKTM-QGZVFWFLSA-N 278.355 3.748 30 20 CHED CC(C)OCc1cccc(Nc2cccc(C#N)n2)c1 301848791 OEKJFUNKMZBVNZ-UHFFFAOYSA-N 267.332 3.622 30 20 CHED Cc1ccccc1[C@@H](C)Nc1nccc(C)c1C#N 135068749 RRMVBNOFOVHCGH-CYBMUJFWSA-N 251.333 3.743 30 20 CHED CCC[C@H](C)CC(=O)N[C@@](C)(C#N)CCc1ccccc1 110840518 QTQVCOBDUSPOSX-MAUKXSAKSA-N 286.419 3.844 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)s2)C1 116814334 XQIHUZJQJZYTTF-RNCFNFMXSA-N 282.796 3.604 30 20 CHED Cc1nnc(S[C@H](C)c2ccc(C#N)cc2)s1 118172793 CCGLKDOVFSAOBJ-MRVPVSSYSA-N 261.375 3.572 30 20 CHED CC[C@H](C#N)OC(=O)/C=C(\C)c1cccc(Cl)c1 175998644 KHTLFKXBTOLKMS-UTSBKAFOSA-N 263.724 3.589 30 20 CHED C=CCn1c(C)nnc1SCCCc1cccc(F)c1 179987272 MSWKBMOMQVWZDO-UHFFFAOYSA-N 291.395 3.637 30 20 CHED CSCCCCCC/N=C(/N)Nc1ccc(C)c(C)c1 305827360 RNTFUMMOMROWPA-UHFFFAOYSA-N 293.480 3.953 30 20 CHED N#Cc1nc(N2CC3(CCCCC3)C2)ccc1C(F)(F)F 409717784 CSAGGQCDXRISJA-UHFFFAOYSA-N 295.308 3.743 30 20 CHED C=CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2)cc1 28874230 IEUJSQURPXPAJD-CQSZACIVSA-N 296.370 3.582 30 20 CHED CC[C@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 301846233 UDQHHKLAXWJJMI-ZDUSSCGKSA-N 272.739 3.565 30 20 CHED C=CCN(Cc1noc(CCCC)n1)CC1CCCCC1 303486351 VADOANUYYGZTIH-UHFFFAOYSA-N 291.439 3.981 30 20 CHED CCc1nnc(NCc2ccc(C)c(F)c2)c(C#N)c1CC 301617779 KQANINBTDIANCA-UHFFFAOYSA-N 298.365 3.533 30 20 CHED C=CCOc1ccccc1CNc1ncc(C)s1 302121469 GFMKQZQCVJABQS-UHFFFAOYSA-N 260.362 3.628 30 20 CHED COc1cccc2c1CC[C@@H]2Nc1c(C#N)cccc1C#N 302886739 NHGIBACCUQYMHW-INIZCTEOSA-N 289.338 3.538 30 20 CHED N#CCCCCN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66844833 IVRIXEUOBZXGBD-HNNXBMFYSA-N 296.773 3.546 30 20 CHED C#CCCCNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 172933052 SCCZOEOMNJMLBK-GFCCVEGCSA-N 297.320 3.729 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1ccc(C#N)cn1 302224111 NYLHPYDMKUEIQB-CYBMUJFWSA-N 251.333 3.743 30 20 CHED C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(C#N)cc1F 301742279 LPJLCAFQOWLEMV-YVEFUNNKSA-N 284.334 3.621 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1 177101429 VFVKXKVRFFZBBV-HZPDHXFCSA-N 271.360 3.626 30 20 CHED CC(C)Cc1nc(C(=O)Nc2ccc(CC#N)cc2)cs1 63573538 HPRDWGULXGSPKW-UHFFFAOYSA-N 299.399 3.660 30 20 CHED CN(C)CC(C)(C)CNc1cc(C#N)ccc1C(F)(F)F 302252307 XFKOLNYMPWIMBL-UHFFFAOYSA-N 299.340 3.577 30 20 CHED C=C1CCN(Cc2ccc(SC)c(OC)c2)CC1 68830054 QSEGESLGOCDXNS-UHFFFAOYSA-N 263.406 3.569 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1ccc2c(c1)OCO2 212820152 XEZUVFYJTKRESR-DJWKRKHSSA-N 288.249 3.590 30 20 CHED Cc1cccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1C 33178810 FWBWQTCRQOSFEC-CQSZACIVSA-N 278.355 3.666 30 20 CHED C#CCCCCC(=O)N1CCCc2c(F)ccc(C)c21 182799551 HFYXCKBUYZQBMN-UHFFFAOYSA-N 273.351 3.607 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1C(F)(F)F 128542140 RMVZFZWZNPGJKF-NXEZZACHSA-N 286.297 3.640 30 20 CHED COc1ccc(CC/C(C)=N/OCc2cc(C)on2)cc1 123432902 QWMBDVJDUPABTE-SFQUDFHCSA-N 288.347 3.517 30 20 CHED C=CC[C@H](C(=O)Nc1cc(CCC)nn1C)c1ccccc1 188955728 MMIUEXCILJPEMA-INIZCTEOSA-N 297.402 3.671 30 20 CHED CC(C)[C@@H](Nc1ncc(C#N)cc1F)c1ccccc1 413035585 OVJQCPIVNBFDHP-OAHLLOKOSA-N 269.323 3.902 30 20 CHED C=CCCCCCN(C[C@@H]1CCCO1)[C@H]1CCSC1 488123440 JDUGVBWCFBSBAY-HOTGVXAUSA-N 283.481 3.719 30 20 CHED Cc1cc(CN2CCS[C@H]3CCCC[C@H]32)ccc1C#N 488231088 LWPHWENFIDHOTE-SJORKVTESA-N 286.444 3.727 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCC1(C2CC2)CC1 507134573 HMIWSOSADGERPE-UHFFFAOYSA-N 290.451 3.955 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)c1 33472264 PCONLMYHNZJABA-ALCCZGGFSA-N 280.323 3.662 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccnc2ccccc12 410116021 ISDRUZKKABJCTK-OAHLLOKOSA-N 282.387 3.638 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 182953538 IHXAEVRAIWFOSF-CABCVRRESA-N 286.419 3.977 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)CC1 443157778 LLCBUNJCYGRZJM-JSGCOSHPSA-N 271.364 3.649 30 20 CHED CC(C)[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCS1 76063701 AGWBZVYHRXXYQV-BBRMVZONSA-N 274.433 3.693 30 20 CHED CC(C)(C#N)CCCCN1CCc2ccc(C#N)cc21 444664079 MRJMZDDUZJDJCY-UHFFFAOYSA-N 267.376 3.641 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C#N)ccc1Cl 505314827 RAGRCUDEEFHSFL-SWLSCSKDSA-N 290.794 3.910 30 20 CHED COc1ccc([C@H]2CCCN2CCC(C)(C)C#N)cc1 157396379 MSPRLGVBFUMYNU-MRXNPFEDSA-N 272.392 3.772 30 20 CHED Cc1cc(C)c(C#N)c(NCc2cnccc2C(C)(C)C)n1 413510341 IODJMUIYAVNQSO-UHFFFAOYSA-N 294.402 3.875 30 20 CHED Cc1cc(C)c(NC(=O)C(C)(C)C#N)cc1Br 187599318 UIZXCEPUJAHALJ-UHFFFAOYSA-N 295.180 3.554 30 20 CHED N#CCC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 187642629 VBKJAYCNTNBXOS-UHFFFAOYSA-N 290.244 3.623 30 20 CHED CC(C)[C@@H](C(=O)NCC#Cc1ccccc1)c1ccccc1 79400855 WWRDCJDXSRKVRE-LJQANCHMSA-N 291.394 3.594 30 20 CHED COc1cc([C@@H](C)NCCC#N)ccc1OC1CCCC1 411452127 OVWCEEKZKHNDQI-CYBMUJFWSA-N 288.391 3.581 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C)c(Cl)c1 76775206 GJBJXYSXMFWNDZ-UHFFFAOYSA-N 259.136 3.522 30 20 CHED Cn1c(NCc2ccc(C#N)cc2)nc2cccc(Cl)c21 184310240 LRZXHHJOVDIYLX-UHFFFAOYSA-N 296.761 3.710 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2ccc(Cl)s2)C1 185783467 XCKIPCHPDDSIOQ-QWRGUYRKSA-N 268.813 3.616 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 131963001 HVBQCMPDCZQIHU-YUMQZZPRSA-N 259.180 3.801 30 20 CHED CC#CCNC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 135979733 QIZLJBFHUYACNY-ZDUSSCGKSA-N 284.359 3.549 30 20 CHED CC[C@H]1CC[C@H](C(O)=Nc2ccc3nc(C)nn3c2)CC1 329008182 NQJWBCHYWKXUAK-JOCQHMNTSA-N 286.379 3.842 30 20 CHED Cc1ccc(C)c(CN(CCC#N)Cc2ccccn2)c1 81160272 VETDTUXYNVDWGH-UHFFFAOYSA-N 279.387 3.614 30 20 CHED Cc1noc(C)c1C(C)(C)/N=C(/O)[C@H]1CCCCS1 329189439 CACJTXGAJNIXQU-LLVKDONJSA-N 282.409 3.769 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCc1c[nH]c2ccc(C)cc12 410830219 UKMOHIOUMCVJLV-OAHLLOKOSA-N 297.402 3.560 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)CC(C)C 506645827 JKCBJDCWMWQLLO-OAHLLOKOSA-N 274.408 3.819 30 20 CHED CCCCN(C(=O)CSCC#N)[C@@H](C)c1ccccc1 192568683 GNURKQBFYKADPF-AWEZNQCLSA-N 290.432 3.633 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/C[C@@H]2CCCS2)cc1 134019945 DWHIBDTUBPTMQQ-DOMZBBRYSA-N 291.464 3.822 30 20 CHED CC(C)(C#N)c1ccccc1CN(C#N)c1ccccc1 134226920 ZLELXYSMXUAJEJ-UHFFFAOYSA-N 275.355 3.975 30 20 CHED C=CCCC(=O)COc1ccc(Br)cc1F 134656489 RJIIXFWAVHVUHX-UHFFFAOYSA-N 287.128 3.502 30 20 CHED Cc1cc(CN2CCC[C@](C)(C#N)C2)ccc1Cl 612406196 JOSRAXCSOMFTFP-OAHLLOKOSA-N 262.784 3.774 30 20 CHED C=CCC(C)(C)c1nc(-c2cccc(NC(=O)CC)c2)no1 426393624 GJBBIUDYWMQISK-UHFFFAOYSA-N 299.374 3.939 30 20 CHED C=CCN(CC[C@H]1CCCNC1)Cc1ccc(Cl)s1 420296374 BQPFCLKHMAAMFD-CYBMUJFWSA-N 298.883 3.779 30 20 CHED C=CCC[C@@H](NC[C@H]1NCCc2ccccc21)c1ccco1 423445485 YHDOPOSPPQEXCB-QZTJIDSGSA-N 296.414 3.764 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCCC2(CCCC2)C1 337931356 XNVWKHLALPSQCP-UHFFFAOYSA-N 286.423 3.502 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425128870 LDQFUXYEWFRNEE-MZMPZRCHSA-N 284.403 3.760 30 20 CHED C=CCC[C@H](C(=O)NCC1(SC)CC1)c1ccccc1 194521417 CIHSLSDTIMQPCK-HNNXBMFYSA-N 289.444 3.748 30 20 CHED OC(=Nc1cccc(-c2ncco2)c1)N1CC[C@@H]2CCC[C@H]21 330247168 FLKOLOOWIHALMI-SWLSCSKDSA-N 297.358 3.762 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1C)c1ccccc1 337890176 HACNRJLCLBESSP-KRWDZBQOSA-N 278.355 3.748 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2ccccc2c1 190677143 HOKAFJNTBOMBTP-CQSZACIVSA-N 289.382 3.901 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@H](F)C2)c1 519707408 FLVXJLHGHWTPQG-QWHCGFSZSA-N 292.354 3.654 30 20 CHED CC(C)C(C)(C)NC(=O)Nc1ccc(C#N)c(Cl)c1 517998563 ZREWXMYGYJREQT-UHFFFAOYSA-N 279.771 3.768 30 20 CHED Cc1cc(N2CC[C@@H](c3ccccc3)[C@@H]2C)c(C#N)cn1 425231028 MLZBIGJLMARTBS-WMLDXEAASA-N 277.371 3.644 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccc(-n2cccn2)c1 93101097 ABNLAXRRVULZBI-UHFFFAOYSA-N 296.418 3.634 30 20 CHED C[C@H]1CC[C@H](C)N1Cc1cccc(OCCCC#N)c1 91937534 RGTLTLHRHMZQDU-GJZGRUSLSA-N 272.392 3.742 30 20 CHED CC(C)[C@@H](Sc1ccc(C#N)cn1)C(=O)c1ccccc1 515288362 PNVKCUCFEHGJRX-QGZVFWFLSA-N 296.395 3.953 30 20 CHED Cc1noc(-c2ccccc2)c1N=C(O)N1C[C@H]2CCC[C@H]21 330055619 UREAZQGPGDSYSB-ZIAGYGMSSA-N 297.358 3.680 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cc(C)no1 332373895 DNPMBDSOGZFERE-TZMCWYRMSA-N 291.395 3.574 30 20 CHED CCCN(CC#N)CCCSCc1ccccc1 90549777 MSEHSEXXVBGCQO-UHFFFAOYSA-N 262.422 3.545 30 20 CHED C=CCCC[C@H](C)NCc1ncc(CSC)s1 339340130 NBNWMNMVKNVCIU-NSHDSACASA-N 270.467 3.841 30 20 CHED N#CCCC1CCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 335444096 IXWPDWDEVRCKQT-UHFFFAOYSA-N 296.374 3.716 30 20 CHED C=CCCCC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 439863176 XMUMWBRHIYZUSX-ZDUSSCGKSA-N 277.330 3.970 30 20 CHED CCCCCCCNC(=O)c1c(F)cccc1F 230602906 VUHLORALUGJYHG-UHFFFAOYSA-N 255.308 3.665 30 20 CHED C[C@@H](C#N)CN(C)CCCOc1ccc(C(C)(C)C)cc1 513954992 RKRFEKADFMXSDF-HNNXBMFYSA-N 288.435 3.844 30 20 CHED C=C(C)CCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 510799874 UWTNJYMWQHQZQJ-CABCVRRESA-N 283.774 3.865 30 20 CHED COC(=O)[C@@H](Sc1ccccc1C#N)c1ccccc1 439713225 HYBAWRYONKBNSC-HNNXBMFYSA-N 283.352 3.565 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](CC)SC 437273298 XLYSSILANJBRNO-CQSZACIVSA-N 269.454 3.723 30 20 CHED N#Cc1cccc(C2(NCc3cccc(F)c3F)CC2)c1 341212465 LBBJLVMDRXGEBI-UHFFFAOYSA-N 284.309 3.615 30 20 CHED N#Cc1ccccc1CN[C@H](c1ccccc1)C(F)F 433050905 FDNCGTBOZAORJK-OAHLLOKOSA-N 272.298 3.654 30 20 CHED C=CC[C@@H](C)NCc1ccccc1OCc1ccncc1 344383100 NRAGSYURJCEQEO-OAHLLOKOSA-N 282.387 3.715 30 20 CHED C=C(C)CN(CC)Cc1cc2c(cc1Cl)OCCO2 343947790 CENDEVIFSGMMMB-UHFFFAOYSA-N 281.783 3.509 30 20 CHED C=CCCC1(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)CC1 527220770 GHTUNSQIFKLBJK-UHFFFAOYSA-N 281.359 3.762 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 431951523 NWVMMBPIIFVFJZ-YWPYICTPSA-N 285.391 3.813 30 20 CHED CCC(C#N)(CC)c1nc(Cc2ccc(F)c(F)c2)no1 528169611 UABYGJDUTVXRKY-UHFFFAOYSA-N 291.301 3.520 30 20 CHED C=CCCN1CCC(C(=O)c2ccc(C)cc2C)CC1 525327736 GDDOYOQFNGMXIF-UHFFFAOYSA-N 271.404 3.774 30 20 CHED C=CCC[C@@H](NC[C@@H](c1ccc(F)cc1)N(C)C)C1CC1 439088619 VCOIPIPYGVVWEG-MSOLQXFVSA-N 290.426 3.763 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)c2cnccn2)cc1 254970595 GFYDJMCYZLSLEM-TWGQIWQCSA-N 266.344 3.670 30 20 CHED C=CCCOCCCCC(=O)N(CC)c1ccc(F)cc1 342623886 MIVXYYHMBYPRCC-UHFFFAOYSA-N 293.382 3.942 30 20 CHED O=C1/C(=C\c2cccnc2Cl)CCc2cc(O)ccc21 255838963 SFEREDLFBMSBID-FLIBITNWSA-N 285.730 3.653 30 20 CHED C=CCCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 605076128 LDJAIHRJGPQMGE-UHFFFAOYSA-N 284.142 3.556 30 20 CHED CC(C)Oc1cccc([C@H](C)Nc2cc(C#N)ccn2)c1 341558197 CMCWGRFNWMBJAP-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED COc1ccc(/C=C\C(=O)c2ccsc2)c(OC)c1 255579058 LDKXYOCKQMWDHN-XQRVVYSFSA-N 274.341 3.661 30 20 CHED O=C(/C=C\c1cc(O)ccc1Br)c1ccco1 255691016 ZGKYXJXZCXDIEQ-UTCJRWHESA-N 293.116 3.644 30 20 CHED C=C[C@H](CC(=O)Nc1cc2c(cn1)CCC2)c1ccccc1 520448282 AOUZYZWETJUODH-CQSZACIVSA-N 292.382 3.869 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(F)c1SC 341617925 CQKFJQLQMACMCN-JTQLQIEISA-N 267.369 3.632 30 20 CHED C=CCC[C@@H](Nc1cc(OC)ncn1)c1ccccc1 340014257 DKQDJGMSRDTBRF-CQSZACIVSA-N 269.348 3.605 30 20 CHED N#Cc1ccccc1NC(=O)C[C@H]1C[C@@H]1c1ccccc1 340710145 GDEINSBDTLZSTQ-HZPDHXFCSA-N 276.339 3.691 30 20 CHED CC[C@@H](C#N)OC(=O)/C(C)=C\c1ccccc1Cl 255430016 LLPQXQSRUYUCLY-CUZBXDDWSA-N 263.724 3.589 30 20 CHED C[C@H](CCC#N)CNCCCSc1ccccc1 602511112 SFGHJYUHEFGCBH-CQSZACIVSA-N 262.422 3.698 30 20 CHED CCC[C@H](C#N)NC(=O)C(C)(C)c1ccc(Cl)cc1F 530404951 DHBYJGSPLCKSOM-LLVKDONJSA-N 296.773 3.565 30 20 CHED C=CCCNc1ccc(Oc2ccc(C)nn2)cc1 608015710 HXZJOTWGKZSIID-UHFFFAOYSA-N 255.321 3.565 30 20 CHED C=CCCCC[C@H](C)NC[C@@H](c1ccco1)N(C)C 449065403 UFMIQWCBEJEGNF-GJZGRUSLSA-N 264.413 3.607 30 20 CHED CC#CCN[C@H](C)c1ccc(OCCCC)c(OC)c1 539270081 MGMWHZZPWZIQTF-CQSZACIVSA-N 275.392 3.548 30 20 CHED C=CCCN1CCCN(C)c2ccc(Cl)cc21 607751190 FVQKDFFMQVNAPQ-UHFFFAOYSA-N 250.773 3.562 30 20 CHED C=CC[C@@H]1N(CCn2nc(C)cc2C)CCCC1(C)C 444782234 IHGZTTORLLQIOR-INIZCTEOSA-N 275.440 3.567 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C#N)c(OC)c1 442889875 MFCUWHLVGLRCIF-UHFFFAOYSA-N 299.418 3.719 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(O)cc2Cl)no1 445441974 AJDWPYVWBGRGRG-VIFPVBQESA-N 294.738 3.749 30 20 CHED C[C@H]1C[C@@H](C)CN1Cc1cccc(OCCCC#N)c1 536681486 JQOHSNPQNMMRHI-CABCVRRESA-N 272.392 3.599 30 20 CHED C=C[C@H](C)N[C@@H](CC)c1ccc(OC(F)F)cc1 358289592 CVCKNORWCHYIRJ-GWCFXTLKSA-N 255.308 3.903 30 20 CHED C=CCC[C@@H](NCc1csc([C@@H](C)OC)n1)C1CC1 269681666 IGDJEDPORFMWNQ-BXUZGUMPSA-N 280.437 3.685 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCCCS1 612416814 XTELSMOMEGLARG-RDJZCZTQSA-N 286.444 3.811 30 20 CHED N#Cc1ccc(Oc2ncncc2-c2ccccc2)c(F)c1 539193172 HYYSKAQNXXOTKD-UHFFFAOYSA-N 291.285 3.947 30 20 CHED N#Cc1ccncc1NCCCCCc1ccccc1 537659392 VDTKJEHVKFARCU-UHFFFAOYSA-N 265.360 3.778 30 20 CHED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CC#N 356740467 QAOWCOIDQDOQEL-AWEZNQCLSA-N 278.355 3.787 30 20 CHED C=CCC1(NCc2cnc3c(c2)c(C)nn3C)CCCCC1 449570246 AIMGESZOIXELNM-UHFFFAOYSA-N 298.434 3.645 30 20 CHED C[C@@]1(C#N)CCCN(Cc2csc(-c3ccccc3)n2)C1 612161784 INMOFUSBABLZIV-KRWDZBQOSA-N 297.427 3.936 30 20 CHED COc1ccsc1CN[C@H](CCC#N)c1ccccc1 269611549 MDGKOLCMZKIMFX-CQSZACIVSA-N 286.400 3.891 30 20 CHED CC(C)[C@H]1C[C@@H](NCc2nc(C#N)cs2)c2ccccc21 352942389 NCHMUADCCDPHMS-HZPDHXFCSA-N 297.427 3.989 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCC(=O)C(C)(C)C)C1 617779049 UEHVOMVWSYDZCK-AWEZNQCLSA-N 279.424 3.587 30 20 CHED C[C@@H](CCCc1cccnc1)NCc1ccc(C#N)cc1F 453104528 UOKFRRNXSNUYCI-AWEZNQCLSA-N 297.377 3.593 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(C(C)=O)o1)c1ccccc1 362772274 FMJDPPIDTSPPAW-HNNXBMFYSA-N 297.354 3.920 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCC[C@@](C)(C#N)C1 612125348 PLCTYXRWAPAMKH-VYDXJSESSA-N 291.439 3.538 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H](C)c1cccc(C#N)c1 611328755 BSJIBIFXOJGUNC-DVOMOZLQSA-N 285.391 3.592 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3occc32)cc1Cl 619755231 URSKYYHXSZUASC-HNNXBMFYSA-N 286.762 3.972 30 20 CHED CCC[C@@H](NC(=O)Cc1ccc(C#N)cc1)C1CCCC1 458337859 LIXRTKQMBYCIJX-QGZVFWFLSA-N 284.403 3.576 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccccc1C#N 611554029 BUPBXLBRSQEWAQ-BXUZGUMPSA-N 282.309 3.721 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@@]2(CCSC2)C1 450901924 JSUGMMVHZIWHSC-OAHLLOKOSA-N 292.835 3.935 30 20 CHED C[C@H](NC(=O)N(C)CC1CCCCC1)c1cccc(C#N)c1 610356145 KWKMWIANCPPVRL-AWEZNQCLSA-N 299.418 3.841 30 20 CHED C[C@@H](CCNc1cccnc1C#N)c1ccccc1 129997493 RDKZAUKAEGYDTH-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 278664189 BCAMGGPZQWFAPC-OAHLLOKOSA-N 290.382 3.969 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)CCCC=C 540483177 YXNJQCQOUVNJRD-ZIAGYGMSSA-N 252.402 3.775 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1C[C@@]1(C)C(C)C 459257543 UEZLSYWXDPFWMJ-HOCLYGCPSA-N 292.448 3.880 30 20 CHED C=CC[C@H](C)[C@@H](C)NCC[C@H]1C[C@H](C)O[C@H](C)C1 549226273 WATFQXRSPOBTNB-RBZJEDDUSA-N 253.430 3.770 30 20 CHED CCCCCCCC(=O)N1CCCC[C@@H](COC)C1 364122702 WILWFYDZLKNMEF-OAHLLOKOSA-N 269.429 3.622 30 20 CHED N#CCCC[C@H](NCC1(C#N)CCC1)c1ccccc1 451065739 SBTLZGKYWKMCJH-INIZCTEOSA-N 267.376 3.705 30 20 CHED N#Cc1cc(Cl)ccc1CN1[C@H]2C=CC[C@H]1CC2 363695703 BQHMRCQOVIOHAB-GJZGRUSLSA-N 258.752 3.505 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@H](C)c1cccc(C)c1 543115781 WCEFOSVFUSHCIG-GOEBONIOSA-N 274.408 3.752 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(F)cc1C(F)(F)F 278185473 BJJAWBXTNJSQPH-UHFFFAOYSA-N 288.244 3.723 30 20 CHED C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC(C)(C)C1 543369576 GDNRFRDUCCSSAK-LLVKDONJSA-N 290.794 3.720 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1c(C)cccc1CC)OCC 270139131 ZRYXUYPDXPNZIQ-OAHLLOKOSA-N 275.392 3.867 30 20 CHED CC(C)(C#N)c1nc(Cc2c(Cl)cccc2Cl)no1 273826688 VVOWRBWJOJNWEM-UHFFFAOYSA-N 296.157 3.768 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 458134488 PTGQHGTVOSNCMB-MAUKXSAKSA-N 284.403 3.652 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)CCC=C(C)C 458965883 CBPOQLVGABLLRX-CQSZACIVSA-N 250.386 3.505 30 20 CHED N#CCCCC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 452582193 FCJQSFBKMFPJML-HNNXBMFYSA-N 294.757 3.740 30 20 CHED COc1ccc(CC[C@H](C)NCC(C)(C)CC#N)cc1 459684421 CKILSGZRKNKGOA-AWEZNQCLSA-N 274.408 3.546 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1cccc(Cl)c1 545986802 APELPYZTWRUMGG-ZDUSSCGKSA-N 281.783 3.580 30 20 CHED C=CCCCCN[C@@H](C)CC(=O)Nc1ccccc1C 274597100 OREYKZBNCGIPDR-HNNXBMFYSA-N 274.408 3.658 30 20 CHED C=C(C)CN(CC)C(=O)CC1CC(c2ccccc2)C1 540616278 OBJPCMFJEUHZKX-UHFFFAOYSA-N 271.404 3.995 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1Cl 274643239 RLCHDQKKVQXWQL-UMNHJUIQSA-N 266.747 3.822 30 20 CHED C=CC[C@@H](C(=O)N1CC=C(C)CC1)c1ccccc1 275342368 OZLGGTGOBALOQX-MRXNPFEDSA-N 255.361 3.525 30 20 CHED C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 276052165 YERCMUNPFYSSPJ-XIKOKIGWSA-N 283.371 3.696 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H]2CC(C)C)c1C#N 542279251 RQHQCWNEGRQHRM-GFCCVEGCSA-N 277.799 3.930 30 20 CHED N#Cc1cccc(CNC2(c3ccc(F)cc3)CC2)c1F 540350248 ZHIKLQWABBBRNO-UHFFFAOYSA-N 284.309 3.615 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2)c(F)c1Cl 468235081 QQDAXKIFUDZESL-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H](C)C(C)C 463675870 BQAIAKRTPWUKFU-KBPBESRZSA-N 272.392 3.555 30 20 CHED C=CCOc1cccc(NC(=O)[C@](C)(C=C)CC)c1 468116001 UFNPGTHPLOLCFE-MRXNPFEDSA-N 259.349 3.792 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CC[C@H]2c2ccccc2)c1 375605063 ILBFYZPXICPJNS-INIZCTEOSA-N 296.757 3.799 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCO[C@H](C(C)C)C1 558010180 GOTMWSQVBLIHIB-XHSDSOJGSA-N 253.430 3.915 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)c1ccc(C)cc1 466539107 ACOHSCDDWHEHFD-OAHLLOKOSA-N 259.393 3.744 30 20 CHED CCCC[C@H](CC)C(=O)N(C1CC1)C1(C#N)CCC1 464476236 RHGCWULZVXUJDH-ZDUSSCGKSA-N 262.397 3.640 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(c2cc(C#N)ccn2)C1 286334406 JHEFRPHAUVUEGX-XJKSGUPXSA-N 263.344 3.541 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1c(Cl)cccc1Cl 285021891 BVGSGFOOLJAWIG-AWEZNQCLSA-N 299.201 3.892 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)CC(CC)CC 466366134 CTCIIUOYEUGVIK-CQSZACIVSA-N 254.418 3.809 30 20 CHED C=CCN(C)Cc1sccc1NC(=O)OC(C)(C)C 1333752551 DZFBAGUEYSUOOG-UHFFFAOYSA-N 282.409 3.713 30 20 CHED C[C@H](Cc1ccccc1C(F)(F)F)N(C)CCCC#N 287341973 LAHXEYFAHUQRTR-GFCCVEGCSA-N 284.325 3.872 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nccc(C#N)c1Cl 557583232 MHQDWHKQZUSNOV-WZRBSPASSA-N 275.783 3.764 30 20 CHED CC[C@H](Cc1ccccc1)N(CC)C(=O)CCCC#N 291843385 FUNPSXIOAAQKFM-MRXNPFEDSA-N 272.392 3.550 30 20 CHED Clc1cnc(NN=C2CCC[C@H]3C[C@@H]23)c(Cl)c1 800806930 JRSBFOKMWXLIRF-IONNQARKSA-N 270.163 3.976 30 20 CHED Fc1ccc(C=NN[C@H]2CCSC2)c(Cl)c1Cl 808003195 KSBDVLUADQRORM-QMMMGPOBSA-N 293.194 3.562 30 20 CHED CC(=NN[C@H]1CCSC1)c1cc2cc(C)c(C)cc2o1 807999898 XFVSGMHCJCGVAK-AWEZNQCLSA-N 288.416 3.869 30 20 CHED CC[C@H]1CC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 479623096 OKDDMRCMOMPVHB-ZQIUZPCESA-N 284.403 3.747 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1occc1C)c1ccccc1 292063623 AYEYNUWQDORXSN-HNNXBMFYSA-N 283.371 3.906 30 20 CHED C[C@@H](C#N)OCCSCCSCc1ccccc1 802751368 MIHHKUPUCZSHDN-ZDUSSCGKSA-N 281.446 3.582 30 20 CHED c1cnc(C2CCC2)c(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)n1 807993991 KBOSBDOKEJRGEO-TUVASFSCSA-N 296.418 3.968 30 20 CHED Cc1c(Cl)cnc(N2CC3(CCCCC3)C2)c1C#N 558952526 MFXIGUGGWLOPPR-UHFFFAOYSA-N 275.783 3.686 30 20 CHED CC#CC(=O)NC1(c2ccc(Cl)cc2)CCCCC1 801145203 MAWJPEJSOMGGRI-UHFFFAOYSA-N 275.779 3.639 30 20 CHED C=CCC(C)(C)C(=O)NCCc1c(C)cccc1C 479011304 MXMMSZKKQPHRDH-UHFFFAOYSA-N 259.393 3.564 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)c1ccncc1F 641594610 MWCQNBLDBVJSLA-UHFFFAOYSA-N 288.370 3.581 30 20 CHED Cc1ccc(CCC(=O)N(C2CC2)C2(C#N)CCC2)c(C)c1 477445696 HQSOVFOMZYSIJV-UHFFFAOYSA-N 296.414 3.673 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](C)Cc1cccs1 292740530 JSIBUKZLHXKKJX-LBPRGKRZSA-N 265.422 3.645 30 20 CHED C=CCn1c(SCCOC2CCC2)nc2ccccc21 561441923 UREVJDGWLFYFCP-UHFFFAOYSA-N 288.416 3.884 30 20 CHED C=CCCCCNC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 292446106 XMQLPVZEMBXGEG-HNNXBMFYSA-N 287.407 3.530 30 20 CHED C=CCCCCNC(=O)N1CCc2ccc(Cl)cc2C1 472845420 FOXBOIXZVCUFLL-UHFFFAOYSA-N 292.810 3.764 30 20 CHED CC(C)C[C@H](NC(=O)CCCC#N)c1ccccc1 290893231 DDBUJLLSFANQCG-HNNXBMFYSA-N 258.365 3.584 30 20 CHED C=CCC[C@H](NC[C@@H]1Cc2ccccc2O1)c1ccco1 560544871 KAKHCJUMCHAETD-HOTGVXAUSA-N 283.371 3.880 30 20 CHED C=C1CCN(C(=O)C2(c3ccc(C)cc3)CCC2)CC1 644625946 RKYXINUJDYMOQM-UHFFFAOYSA-N 269.388 3.595 30 20 CHED CCSCC(=NNc1ccccn1)c1ccccc1 807950843 YXWUVPPWHKZMFM-UHFFFAOYSA-N 271.389 3.651 30 20 CHED CC(C)(O)c1ccc(C=NOC2CCCCC2)cc1 807983816 YNVKFRRNEMZGSZ-UHFFFAOYSA-N 261.365 3.597 30 20 CHED Cc1ccc(NN=Cc2ccc(C(F)(F)F)[nH]2)cc1 807943894 RYXRIYLVHCUUQR-UHFFFAOYSA-N 267.254 3.788 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CCCOC(C)(C)C 808802665 BZYBUBAYOZIINC-UHFFFAOYSA-N 289.375 3.621 30 20 CHED CC1(C#N)CCC(NCCc2ccc(F)c(F)c2)CC1 566778055 SJIGNEODNMCJHR-UHFFFAOYSA-N 278.346 3.569 30 20 CHED C[C@@H](NC[C@@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 390917027 UUSXMMPEAACDAD-OCCSQVGLSA-N 294.345 3.675 30 20 CHED C/C=C(\CC)C(=O)Nc1ccc(C#N)c(Br)c1 808871096 CBSHWGCARWPYNZ-YCRREMRBSA-N 293.164 3.616 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1CCC(C)C 472701647 RCNXXNPZKFLZAF-CVEARBPZSA-N 281.440 3.785 30 20 CHED CC[C@@H]1CCC1=NNc1ccc(C(F)(F)F)cn1 807945935 JHBSVFIZRTYBOO-MRVPVSSYSA-N 257.259 3.688 30 20 CHED C=CCC(C)(C)C(=O)N1CCSC2(CCCCC2)C1 560219081 NGQBMXZLGGUOTL-UHFFFAOYSA-N 281.465 3.867 30 20 CHED Cc1ccc2ccccc2c1CN(C)C[C@H](C)C#N 483267706 YQHIPNSKRFPIOW-CYBMUJFWSA-N 252.361 3.740 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1cc(C)cc(C)c1 488815786 LOICHWKKHIHFEM-QGZVFWFLSA-N 271.404 3.803 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](c1ccc(CC)cc1)C(C)C 811994818 HKZBANBVYKDDHN-PBHICJAKSA-N 286.419 3.609 30 20 CHED Cc1ccc(NN=C2CCC(c3ccc(O)cc3)CC2)nn1 814841013 YABCBYFEQUTWCC-UHFFFAOYSA-N 296.374 3.616 30 20 CHED C=C(C)[C@@H](NC[C@@H](O)CCC(C)C)c1ccc(F)c(F)c1 482860132 UHNKEOWPISEVNU-WMLDXEAASA-N 297.389 3.969 30 20 CHED CC(=NNc1ccc(C)cc1)c1cccc(CN(C)C)c1 814685335 GKKXEDSVTKHYAS-UHFFFAOYSA-N 281.403 3.893 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OCCC)cc1 815912746 XSCHYAQFKWVGNN-UHFFFAOYSA-N 269.291 3.625 30 20 CHED COc1cc(C)c(C(C)=NOC/C=C/Cl)cc1C 811671864 LPPSRPJLUHWASZ-CHIOMFQBSA-N 267.756 3.805 30 20 CHED CC(=NNc1cccc(C)c1)c1cc(N)ccc1F 814687735 TUHHXUXMSZUQCD-UHFFFAOYSA-N 257.312 3.552 30 20 CHED CC(C)[C@H]1N(C(=O)[C@H](C)c2cccc(C#N)c2)CC1(C)C 480517871 ZAYATZRPCNSPSR-CZUORRHYSA-N 284.403 3.555 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2ccc(F)cc2C)no1 574265751 OVADTXHEDGCQOY-GFCCVEGCSA-N 290.338 3.762 30 20 CHED C=CCn1c(C2CC2)nnc1N(CC(C)C)C1CCCC1 571570454 XFEXQMXSMLLRFR-UHFFFAOYSA-N 288.439 3.747 30 20 CHED CCSCC(=NOC/C=C/Cl)c1ccccc1 811670153 YPIVWPBHUGEVLM-OBASGXHRSA-N 269.797 3.913 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=NNc3cccnn3)c2c1 811643563 HCZKFMRKNDMKQO-UHFFFAOYSA-N 293.374 3.701 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1C1CCCCC1 489069431 GDJUCGQIJRRINB-INIZCTEOSA-N 286.419 3.859 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccncc1Cl 817346312 RUDCPEZAEKBPAY-PLNGDYQASA-N 289.766 3.652 30 20 CHED C=C(C)CCNC(=O)N1CCC(C2CCCC2)CC1 656155590 LSCMOHSULAPDCK-UHFFFAOYSA-N 264.413 3.564 30 20 CHED COCc1ccccc1/C=C(\C)C=NNc1cccc(F)n1 814230010 VVJJLZWVMZFENS-MMODIHTESA-N 299.349 3.868 30 20 CHED Cc1cccc(-c2noc(-c3ccc(CC#N)cc3)n2)c1F 485987931 HKHULJHCXZQSTM-UHFFFAOYSA-N 293.301 3.917 30 20 CHED CC(=NOC1CCC1)c1cccc(Br)c1 812236479 MYUDEIQXVTUTAB-UHFFFAOYSA-N 268.154 3.742 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@@H]1CCCC 815337558 RDWGHWPIXRRQGD-NWDGAFQWSA-N 259.340 3.673 30 20 CHED C=CCCOC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 729072764 YMSAAJWFKVJCKH-QWHCGFSZSA-N 295.176 3.672 30 20 CHED C=CCCCCCSc1nc(O)cc(C(F)F)n1 572565497 YXFUTDKBLDHMPM-UHFFFAOYSA-N 274.336 3.958 30 20 CHED CCSc1ccc([C@H](C)NC(=O)C#CC(C)C)cc1 826100244 OJOJDJJHTXDWCN-ZDUSSCGKSA-N 275.417 3.635 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccccc2N(C)C)no1 579524070 IUEGLARXUDCPRD-INIZCTEOSA-N 271.364 3.656 30 20 CHED C[C@H]1CCN([C@H](C)c2cccc(C#N)c2)CC1(F)F 494212132 KMZLMCOIXOUADL-NWDGAFQWSA-N 264.319 3.596 30 20 CHED C=CCN(C)CCCCOc1cccc(C(F)(F)F)c1 494634209 CKLSQXROYZLKFQ-UHFFFAOYSA-N 287.325 3.982 30 20 CHED C#CCCCOC(=O)/C=C/c1ccccc1OC(F)(F)F 727040807 HWWZVLRCNJUZSR-MDZDMXLPSA-N 298.260 3.555 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 820645827 BRNASZSGNPKYFU-ZNMIVQPWSA-N 288.391 3.564 30 20 CHED C=C(CN[C@@H](CC)c1ccc(F)cn1)c1ccccc1 490144889 QZMWAPAAVJIHHD-INIZCTEOSA-N 270.351 3.975 30 20 CHED C=CCN(CCc1ccco1)C(=O)Cc1c(C)cccc1C 490227587 RGZWDCIERYMCMN-UHFFFAOYSA-N 297.398 3.696 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(O)c1Br 908708392 UNHBJUKVTWZKPO-UHFFFAOYSA-N 298.180 3.696 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2cccc(C(=O)O)c2)o1 732761497 GXCBILAHVZSKQN-HZMBPMFUSA-N 284.315 3.547 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)CC(=O)c2cccs2)CC1 901173745 AAZPKALPSOUUQC-LBPRGKRZSA-N 291.416 3.572 30 20 CHED CCC(CC)[C@H]1C[C@@H](Nc2cc(C#N)cc(C)n2)CCO1 588013218 BSKUXMQYZFDNMN-JKSUJKDBSA-N 287.407 3.657 30 20 CHED C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)CC1(F)F 491589859 UYEZKZZNNGIVPF-LLVKDONJSA-N 287.313 3.588 30 20 CHED C=C[C@H](CC)Cc1nc(C2(CCOC)CCCC2)no1 904097443 ZMJDQEXHKPFRPI-CYBMUJFWSA-N 278.396 3.673 30 20 CHED C=CCC[C@H](NC(=O)[C@H](CC)OCC)c1ccccc1 665772766 NSKRPZXXZLLWRK-HOTGVXAUSA-N 275.392 3.625 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc(F)cc1Br 839033253 BOKXQSNPJLABCK-VIFPVBQESA-N 299.139 3.547 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc(OC(C)(C)C)cc1 588467784 BVPHWMFIYKWWOQ-FLIBITNWSA-N 298.386 3.976 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C1 839044135 PIHCVGARFFVYPU-ZWNOBZJWSA-N 297.276 3.945 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc(C#Cc2ccccc2)cc1 733707928 DAPDWVKTUFUHMV-HNNXBMFYSA-N 289.334 3.545 30 20 CHED C=CCCCCC(C)=NNc1ccc([N+](=O)[O-])cn1 834940346 KSQPBFXOQVHPCF-UHFFFAOYSA-N 262.313 3.524 30 20 CHED CC[C@H](NCCCc1nccs1)c1cccc(C#N)c1 902871731 TXXIWMHUKGPLIE-HNNXBMFYSA-N 285.416 3.688 30 20 CHED Clc1ccc2c(c1)C(=NNc1ccncn1)CCCC2 835001482 INHHWBARRHMFEW-UHFFFAOYSA-N 286.766 3.673 30 20 CHED CN(C(=O)Cc1coc2ccccc12)c1ccc(C#N)cc1 588934080 KWEAOODGVFICET-UHFFFAOYSA-N 290.322 3.510 30 20 CHED CCCCCCCCCOC(=O)C1(C#N)CCC1 736839189 RASQBJDMMKAIQR-UHFFFAOYSA-N 251.370 3.974 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@H](CC)CC2)c1 735241293 ARXWAKCNDRPMBH-AWEZNQCLSA-N 286.444 3.877 30 20 CHED CCC(CC)NN=Cc1ccc(C(F)(F)F)cc1 734366411 QUBQJBIQMRLUHY-UHFFFAOYSA-N 258.287 3.818 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc2c(c1)nc(C)n2C 835505876 HLDXOUBXYTYYDU-UHFFFAOYSA-N 284.359 3.556 30 20 CHED CC(C)(C)CCCCC(=O)N1CCC[C@](C)(C#N)C1 588000120 JSYPVRVCSRXIHJ-MRXNPFEDSA-N 264.413 3.745 30 20 CHED C=CCCCN(C)Cc1ccc(N(CC)CC)cc1 735562943 QOGLTAMFIQHZGW-UHFFFAOYSA-N 260.425 3.931 30 20 CHED C#CCC[C@@H](C)OC(=O)C(C)(C)COCc1ccccc1 839039245 OWTWMTFMDHPIBU-OAHLLOKOSA-N 288.387 3.575 30 20 CHED C=CC[C@H](C)NC(=O)NCC1CCCCCCC1 735092802 GXTAQEIPEITYJO-ZDUSSCGKSA-N 252.402 3.611 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](C2CC2)C1 673561127 ZUAPWSGZYXHQFG-ZFWWWQNUSA-N 264.413 3.563 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1ccc(F)c2ccccc12 673237608 IXFWCAWVEGCSRK-NWDGAFQWSA-N 286.350 3.914 30 20 CHED C=C(Cl)CN1CCSC[C@@H]1c1ccc(C)cc1 734854187 MYHJQLRBNBUGHN-CQSZACIVSA-N 267.825 3.837 30 20 CHED C=CCC[C@@H](NCc1cc(C)nc(N2CCCC2)c1)C1CC1 580501703 OFDBKFQUKNGIQI-GOSISDBHSA-N 299.462 3.825 30 20 CHED COc1ccc(C)cc1C(=O)/C=C1\COc2ccc(F)cc21 918156368 OKVVPKDPJJCPDI-XYOKQWHBSA-N 298.313 3.801 30 20 CHED C=C(CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 672480114 VLFMWWACBJUCLZ-ROUUACIJSA-N 295.357 3.759 30 20 CHED CC(C)[C@H](C/N=C/c1ccc(O)c(O)c1O)c1ccccc1 915113089 NJJTWKZOPJMCJG-RPJLVFAOSA-N 299.370 3.662 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1F)c1ccc(C(=O)O)o1 736712875 QIISOLYHDLOYCE-MRVPVSSYSA-N 291.303 3.842 30 20 CHED CCc1cc(N[C@@H](C(=O)O)c2ccc(C#N)cc2)ccc1C 833671816 PXKUHSNOLCYWFB-QGZVFWFLSA-N 294.354 3.667 30 20 CHED C#CCOc1ccc(CNCCCC(C)(C)C)cc1 740013253 BCKSBHMZGUPXND-UHFFFAOYSA-N 259.393 3.615 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2cccc(OCC#N)c2)C1 749795091 SNFYGJLOSHATMK-KBPBESRZSA-N 286.375 3.744 30 20 CHED CC(C)CN(Cc1ccccc1F)C(=O)C#CC(C)(C)C 837376038 MCXGGPQXQOFLFB-UHFFFAOYSA-N 289.394 3.860 30 20 CHED CC1(C)C[C@@H]1C(=O)Nc1cc2ccccc2cc1C#N 839434284 CPMUQDLALFTIFZ-CQSZACIVSA-N 264.328 3.696 30 20 CHED Cc1nc(Cl)cc(NN=C/C=C\c2ccc(F)cc2)n1 747764494 PFKLMTMXPHYJHL-YFKWABOESA-N 290.729 3.689 30 20 CHED CC[C@@H](C#N)C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 593448696 WBCOYGWDUDMVOB-JTQLQIEISA-N 298.308 3.606 30 20 CHED C/C(=C/C(=O)N[C@@H](C#N)C1CCCCC1)C(C)(C)C 748720307 SHJDGCRBCYJNDW-HCYCVZQXSA-N 262.397 3.567 30 20 CHED C=CCOCCCC(=O)Oc1ccc(C(C)(C)C)cc1 744020444 WCRKFCYRRJDVKL-UHFFFAOYSA-N 276.376 3.872 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N(C1CC1)[C@H](C)C#N 598136827 KFTVUVHKBLVVHV-UONOGXRCSA-N 262.397 3.662 30 20 CHED C=CCN(C(=O)Nc1nnc(CCCCC)s1)C(C)C 916706713 BFXYNDCSMRDOOW-UHFFFAOYSA-N 296.440 3.699 30 20 CHED CCOc1cc(CNc2ccc(C#N)cc2C)ccc1OC 846750331 QTELCRRNDVCSFQ-UHFFFAOYSA-N 296.370 3.886 30 20 CHED CC#CCN1CCC[C@@H]1c1ccccc1C(F)(F)F 741783209 QXIXVOMSDHAYTC-CQSZACIVSA-N 267.294 3.866 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 597916578 XORYXOXKWXXNAU-AWEZNQCLSA-N 294.354 3.712 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC(F)(F)CC1 842533498 REENALJEGJNEAL-GFCCVEGCSA-N 282.334 3.609 30 20 CHED C=C[C@@H](C)ONC(=O)C(C)(C)Cc1cccc(Cl)c1 846546909 MFFXEIIARVEZCO-LLVKDONJSA-N 281.783 3.531 30 20 CHED CCCCCCCCCN(C)C(=O)c1c[nH]nc1CC 918685461 AYWXAKTYAANAAF-UHFFFAOYSA-N 279.428 3.795 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C(C)(C)C 744010111 DMLSDKIQWYVJJH-UCQJPZFISA-N 281.359 3.732 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cc(C#N)cs1 748440660 PPFMMSHUKZEIIQ-AATRIKPKSA-N 299.399 3.910 30 20 CHED C#CC(C)(C)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 841117590 XUZYNQTXDSVUHQ-CYBMUJFWSA-N 297.320 3.727 30 20 CHED COC[C@@H](CC(C)(C)C)Nc1ccc(F)cc1OCC#N 845950237 GOYORZYPERRFOU-CYBMUJFWSA-N 294.370 3.591 30 20 CHED CCC(C)(C)OCC/N=C\c1cc(Cl)ccc1O 840708323 AALJWCWYRLKCOY-YBEGLDIGSA-N 269.772 3.670 30 20 CHED C=C(C)CCOC(=O)c1ccc2[nH]c(C)c(C)c2c1 744303037 LUFANKYTQCHPIB-UHFFFAOYSA-N 257.333 3.908 30 20 CHED CCc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2)c1 844548860 XLKILCVCXITMHT-CMDGGOBGSA-N 268.360 3.923 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1ccc([N+](=O)[O-])cc1 916245159 XXZJGFXHIUZBHY-UHFFFAOYSA-N 299.330 3.721 30 20 CHED CCOc1ccc(C(C)=NNc2cccc([N+](=O)[O-])c2)cc1 916268859 BGANHCGNDPVODS-UHFFFAOYSA-N 299.330 3.830 30 20 CHED CC(C)(C#N)CCCN1CC(C)(C)[C@H]1c1ccncc1 596589806 BBMJAPFVBDTBBO-OAHLLOKOSA-N 271.408 3.794 30 20 CHED C=CCN(C(=O)[C@H](SC)c1ccccc1)C(C)(C)C 598865260 BIQYFKIOKWSYEX-CQSZACIVSA-N 277.433 3.904 30 20 CHED COc1cc(N[C@H]2CCC[C@H](C#N)C2)cc(Cl)c1OC 846048766 KYOAUDLLVPPCFX-QWRGUYRKSA-N 294.782 3.851 30 20 CHED C=C(Cl)COC(=O)CCCc1sccc1C 748428190 BOYQIERAFWCCRA-UHFFFAOYSA-N 258.770 3.675 30 20 CHED CCOc1cccc(/C=C2/Oc3ccccc3C2=O)c1 742435853 DLLFUDDOJUTLPZ-LFIBNONCSA-N 266.296 3.702 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](CC(C)C)c1ccccc1 594089058 MJVOJHBCPGUTIH-JKSUJKDBSA-N 272.392 3.577 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C(C)=C/c1ccc(Cl)cc1 847168447 MULCFDKWZOMZMF-CFRMROPGSA-N 276.767 3.504 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C1CCC1 594277833 OFEZVAKREAMEBI-KSSFIOAISA-N 296.414 3.528 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1ncoc1C(C)C 840538662 ROLPVUJIPATPPG-HNNXBMFYSA-N 298.386 3.715 30 20 CHED N#C[C@@H](C(=O)Cc1cccs1)c1nc(C2CC2)cs1 842939209 RWLUFUOIKGPIHW-NSHDSACASA-N 288.397 3.501 30 20 CHED C=CC[C@H](OC(=O)C1SCCS1)c1ccccc1 842341071 WIRYKAIXANSIHC-LBPRGKRZSA-N 280.414 3.653 30 20 CHED CCOc1ccc(CN2CCC[C@](C)(C#N)C2)c(C)c1 597080912 WAGWGBNTFPKUFQ-QGZVFWFLSA-N 272.392 3.519 30 20 CHED CSCCCCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842941758 JYDOIIKXFMPXBD-LLVKDONJSA-N 294.445 3.730 30 20 CHED C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)CC12CCC2 596182002 JMUUYBMOTWPBOY-SECBINFHSA-N 281.812 3.685 30 20 CHED Oc1nc2ccccc2cc1/C=N/Cc1ccc(F)cc1F 745624641 MCUPPXIDQLTYQN-KEBDBYFISA-N 298.292 3.838 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc2nc(C)oc2c1 929852013 DRYDPJSNYLGHJH-NSHDSACASA-N 258.321 3.677 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(C#N)s2)cn1 840722261 ZVBAAMHRCMARNB-GQCTYLIASA-N 297.383 3.603 30 20 CHED CC(C)CON=Cc1ccccc1OCc1ccccn1 749636525 OKSSGDDUIXQXRA-UHFFFAOYSA-N 284.359 3.667 30 20 CHED O=C1/C(=C/C=C\c2ccccc2)Oc2ccc(F)cc21 749748837 QILSBSWEQVIJFL-HASPRUBHSA-N 266.271 3.998 30 20 CHED C#CCOc1ccc(C(=O)N(CCCCC)C(C)C)cc1 741533496 NRDFBCRWBTVYLN-UHFFFAOYSA-N 287.403 3.739 30 20 CHED C=CCCCOC(=O)C(F)(F)c1c(F)cccc1F 757466658 XLXMCLXGRMVXAC-UHFFFAOYSA-N 276.229 3.566 30 20 CHED C#CCCCC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 758061558 DPUZUEZZVUZJET-LSDHHAIUSA-N 263.425 3.901 30 20 CHED CS/C=C/C(=O)Nc1ccccc1SC[C@@H](C)C#N 751576700 CMQCPPGXQGFUNR-AEZGRPFRSA-N 292.429 3.754 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)O[C@H](C)CC(C)(C)C#N 851212292 IPHKDABZCOOQDK-LLVKDONJSA-N 284.359 3.962 30 20 CHED C#CCCCC(=O)O[C@H](CC)c1cc(OC)cc(OC)c1 851473501 HMFXVSQOUJJHIM-MRXNPFEDSA-N 290.359 3.502 30 20 CHED C#CCC1(C(=O)Nc2ccn3cc(C)nc3c2)CCCCC1 856287240 RKTBUILSAMSHIJ-UHFFFAOYSA-N 295.386 3.555 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)Cc1cnc[nH]1 851967281 IDTVJTLQHLFTHX-AWEZNQCLSA-N 294.443 3.548 30 20 CHED COCCCC(C)=NNc1cccc(Br)c1 759193841 RUDHBQFBLFCKSK-UHFFFAOYSA-N 285.185 3.664 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(OC)cc1O 757471278 AAVXRZBJLKMFBP-FLIBITNWSA-N 298.338 3.696 30 20 CHED CN(C(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1C#N 752819560 NMASJQXWJFUHQM-DHZHZOJOSA-N 296.757 3.888 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCc2ccc(C)cc21 684893476 HJTUBQKRIHVKER-GDBMZVCRSA-N 272.392 3.636 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(OC)cc2)C1 855441137 VOROVQLNRWCJIL-ONOODXEBSA-N 285.387 3.523 30 20 CHED CC1(C)C(=NNc2ccc(CC(=O)O)cc2)[C@H]2CCC[C@H]21 853370861 YRZOOGUDHJXJME-UONOGXRCSA-N 286.375 3.538 30 20 CHED C[C@@H](C#N)N(Cn1ccc(=S)c2ccccc21)C1CC1 853547707 YFQJCWUYBXUGRI-LBPRGKRZSA-N 283.400 3.705 30 20 CHED CCC(=NNc1ccc(Cl)cc1Cl)c1nccn1C 755562919 OQEDSAIKCLKUFF-UHFFFAOYSA-N 297.189 3.953 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 854246142 ICEVCVWPVMAGJA-LLVKDONJSA-N 283.293 3.542 30 20 CHED C[C@H](NC(=O)N1CCC[C@H](C#N)C1)c1cccc(C2CC2)c1 922643754 BYNXZKFPJDZUJC-UONOGXRCSA-N 297.402 3.570 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)O)cc1)CC2 753900247 LFLAQHPEHQIFQD-WJDWOHSUSA-N 292.334 3.906 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2c(F)ccc(F)c2Cl)C1 857628034 YQKVZVFYHCHHMJ-IUCAKERBSA-N 299.704 3.857 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](O)c1cccc2ccccc12 855483027 FNXRLTRDPUJPRU-HKUYNNGSSA-N 297.398 3.592 30 20 CHED CCN(Cc1cc(C)cc(C(C)(C)C)c1O)[C@H](C)C#N 853582399 NBZBYTAJLXOEIS-CYBMUJFWSA-N 274.408 3.732 30 20 CHED C=C(Cl)COC(=O)c1sc(C)nc1CC(C)C 756540294 IIADBIHEJOUOHQ-UHFFFAOYSA-N 273.785 3.559 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1cc(F)ccc1F 757474980 PGHIIMGJMHWTLV-UITAMQMPSA-N 290.240 3.763 30 20 CHED C#CCCCC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 759340958 GIRSALLBCOLQCP-DLBZAZTESA-N 269.388 3.633 30 20 CHED N#C[C@@H](NC(=O)c1cc(Cl)cs1)C1CCCCC1 758923562 YXYTUSPSSIQFKN-LLVKDONJSA-N 282.796 3.604 30 20 CHED CC[C@H]1CC(=NNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 756826053 SXRLJAUAKJCZOJ-NSHDSACASA-N 297.742 3.605 30 20 CHED N#Cc1ccc(OC(=O)c2cc(Cl)cs2)c(F)c1 758728999 BSBOPUFXMNBJFP-UHFFFAOYSA-N 281.695 3.631 30 20 CHED C#CCCCC(=O)OCc1c(C)ccc2ccccc12 759183424 SKJDNEKXDZWMHK-UHFFFAOYSA-N 266.340 3.995 30 20 CHED N#Cc1ccc(CN[C@H](c2ccncc2)C2CC2)c(Cl)c1 934698869 QLPDNBCJWYPCMZ-KRWDZBQOSA-N 297.789 3.848 30 20 CHED CC(C)(C#N)CCCN1CCSC[C@H]1C(C)(C)C 931590612 CXHWXKZZTOFICN-ZDUSSCGKSA-N 268.470 3.780 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)OCc1ccc(F)c(C#N)c1 769175153 FAZALFNHHNKYON-YPMHNXCESA-N 275.323 3.567 30 20 CHED C#CCOc1ccccc1-c1noc(CC(CC)CC)n1 761993014 ZVPISPLKTSESNH-UHFFFAOYSA-N 284.359 3.727 30 20 CHED C#C[C@H](C)N(C)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 767236396 DGVZONDJLGMPAA-DHBQWTBNSA-N 287.447 3.853 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cnc(C2CC2)o1 863097902 RPWAISSOQPSWEV-GFCCVEGCSA-N 263.385 3.834 30 20 CHED Cc1ccc(NN=C2C[C@@H](C(C)C)c3ccccc32)nn1 766449856 CTXVZZQEVPGYEG-HNNXBMFYSA-N 280.375 3.745 30 20 CHED C#CCCc1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 762005807 BTJYQGQSQCOHCE-UHFFFAOYSA-N 299.330 3.508 30 20 CHED CC(=NNc1ccccn1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 761251797 HYOPTUXSFNUGDE-LBPRGKRZSA-N 298.346 3.656 30 20 CHED C=CC[C@H](N[C@@H](C)c1cscn1)c1ccncc1 768103578 HFJYEGIJFDKDMJ-AAEUAGOBSA-N 259.378 3.506 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C/c2ccc(O)cc2)CCCC1(C)C 769642472 JLTUKPYVTMBZPP-KQPPXVQYSA-N 299.414 3.999 30 20 CHED CSc1ccc(C(C)=NNc2cccnn2)c(Cl)c1 763364114 PVGRWUXRCHILMJ-UHFFFAOYSA-N 292.795 3.688 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(-c2ccccc2F)o1 766036980 JEZQJPMQVIFMCA-VURMDHGXSA-N 296.301 3.715 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(C)c2c1C(=O)C[C@@H]2C 1117832578 RECZHWKLKMAEGV-JTQLQIEISA-N 294.297 3.802 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCCCCC2)c1 768379298 FUAKQLZEGCGHKL-UHFFFAOYSA-N 262.744 3.729 30 20 CHED CC(C)Oc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 765928972 QRAYAXJZGMHQJD-GOEBONIOSA-N 272.392 3.646 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(F)c(OC)c2)o1 1116378158 ZZQLSTHXLNCYRB-VMPITWQZSA-N 274.291 3.886 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H]1c1ccc[nH]1 875765150 HOPOOIZTWXEGQT-OAHLLOKOSA-N 277.412 3.832 30 20 CHED CC(=NNc1nc2c(C)cccc2s1)[C@H]1CCCO1 872419730 SLGHYNONMRLOHC-LLVKDONJSA-N 275.377 3.572 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2cccc(F)c2F)c1 776268760 UWERXRKRHYQNRU-FPLPWBNLSA-N 299.276 3.763 30 20 CHED C=C(C)CNC(=S)N(CC)C[C@@H](CC)c1ccccc1 774267481 MXECXKSXSBRLFJ-OAHLLOKOSA-N 290.476 3.953 30 20 CHED C=CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 771640242 FEVOORAJJOFJID-UHFFFAOYSA-N 289.419 3.849 30 20 CHED C#CCCN[C@H](CC(C)C)c1ccccc1OCC 775538241 LWKFZQNEAJHYJN-MRXNPFEDSA-N 259.393 3.785 30 20 CHED Oc1c(Br)cccc1C=NOC1CCCCC1 777458485 IOOOHUPSFFMTHN-UHFFFAOYSA-N 298.180 3.838 30 20 CHED C#CCCCCC(=O)OCc1csc(CCC(C)C)n1 773642304 WZKWLBXDVXPMMQ-UHFFFAOYSA-N 293.432 3.969 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1CC#N 776895859 XZJKKEJZJPBCIU-WMZOPIPTSA-N 298.430 3.770 30 20 CHED CC/C(C)=C(\C)C(=O)N(CC)c1ccc(C#N)cc1 779965446 WJPFNMGRFGGLBS-OUKQBFOZSA-N 256.349 3.658 30 20 CHED CCc1cnccc1C(=O)/C=C/c1c(F)cccc1F 776190912 CPUAQVVOGBWVRY-VOTSOKGWSA-N 273.282 3.818 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(NC(=O)OC)c(F)c1 879445367 YWZBRMYPPZYVRA-UHFFFAOYSA-N 294.326 3.545 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(Cl)cc1F 875050059 RJSQYMSTXZAOIF-UHFFFAOYSA-N 269.703 3.714 30 20 CHED CC(C)CNN=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] 771566155 FBSZUMYACSBMLB-ZDUSSCGKSA-N 289.379 3.539 30 20 CHED C=CCN(C(=O)/C=C(/C)c1ccccc1Cl)C1CC1 771819583 UIALFKGXZOFXQC-QXMHVHEDSA-N 275.779 3.920 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(C#N)cc1C 779990988 IMTVPZOEJBYEPE-YPMHNXCESA-N 259.349 3.592 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(COC(C)(C)C)c1 885617776 BHAZCQDEKWUALV-UHFFFAOYSA-N 287.403 3.990 30 20 CHED C#CC[C@H](NC(=O)C1CCC(=C)CC1)c1ccccc1 889726768 VGTBEFKSIXGSCQ-KRWDZBQOSA-N 267.372 3.614 30 20 CHED C=CC(C)(C)CC(=O)N1Cc2ccccc2[C@@H](C)C1 881459977 NWFPENRJMXVHBJ-ZDUSSCGKSA-N 257.377 3.735 30 20 CHED CCN(C(=O)Cc1ccccc1CC#N)[C@@H]1CCCC[C@@H]1C 776885310 XKWNBBZTPQHHKH-MAUKXSAKSA-N 298.430 3.722 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@@H]2c2c(C)cccc2C)n1 882576281 HHHCDXQMLMLXGG-MRXNPFEDSA-N 292.386 3.615 30 20 CHED CC/C(=C/C(=O)OCC1(C#N)CC1)c1cccc(Cl)c1 775863492 ZDNHLJDYQRBABJ-XFXZXTDPSA-N 289.762 3.980 30 20 CHED CC1(C)CCC[C@@H]1NN=C1CCC2(CCOCC2)CC1 782290076 YVQDGRNJDSSWBB-HNNXBMFYSA-N 278.440 3.882 30 20 CHED C=C1CCC(C(=O)OCc2cnc(Cl)s2)CC1 885652482 YHSATTQZPGLWIN-UHFFFAOYSA-N 271.769 3.586 30 20 CHED CCOc1ccc(C=NNc2ccc(OC)cc2)cc1F 782255022 PMUKYKHTKREPFX-UHFFFAOYSA-N 288.322 3.679 30 20 CHED CC(=NNC1CCCCC1)c1cnc2ccsc2c1 786043726 UOHBTSOUDZMHKP-UHFFFAOYSA-N 273.405 3.943 30 20 CHED Cc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1F 1560589638 WLVJIIWYRVWWJG-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C(F)F)n1CC1CC1 1123419226 ZPMGMEHRWODQFY-GFCCVEGCSA-N 296.365 3.561 30 20 CHED C=CCCCOC(=O)c1cc(Br)ccc1F 303681655 JGPSVJDLOFPTKZ-UHFFFAOYSA-N 287.128 3.711 30 20 CHED Cc1ccc(O)c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 787034704 TXVYWXWONRFVDK-SCLBCKFNSA-N 292.382 3.910 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2ccc(OC)cn2)C1 780267218 IDDNVDYUMMSUJI-QWHCGFSZSA-N 261.369 3.704 30 20 CHED CC1(C)CCC[C@@H](C=NN[C@H](CO)c2ccccc2)C1 788467840 GBPBQORRRDVANM-GDBMZVCRSA-N 274.408 3.512 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1cc(Cl)ccc1F 787667954 JLLRKLCOTDLFEK-JTQLQIEISA-N 286.730 3.504 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1cccc(Cl)c1F 786645123 XYCDFZLEWWWUIV-ZDUSSCGKSA-N 256.704 3.987 30 20 CHED N#Cc1csc(C(=O)OCCSc2ccccc2)c1 784066782 WVEVILQLPGGPIJ-UHFFFAOYSA-N 289.381 3.569 30 20 CHED O=C(O)c1ccccc1NN=Cc1cc(Cl)cs1 782176032 DZFJQVMJWVNWIN-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)o1 899361740 CETUPMRKLZOHKU-SOFGYWHQSA-N 270.332 3.660 30 20 CHED Cc1cc(C)c(COC(=O)C2(C#N)CCCCC2)c(F)c1 785922728 BOTFHTJPPOPMDA-UHFFFAOYSA-N 289.350 3.960 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2ccncc2CC)CC1 897305489 ZDIOVVYABIBROG-CYBMUJFWSA-N 272.392 3.568 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)[C@@H]1CCCC[C@H]1C 781924609 OVISGEVHRXRCMO-CRAIPNDOSA-N 286.419 3.990 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ccc(F)cc2OCC#N)C1 893437134 PYURHCYRGGLHMF-QWHCGFSZSA-N 294.395 3.814 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)CCCCCC#N 890612778 ATEFNBWFSVOBIN-INIZCTEOSA-N 270.376 3.954 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@@H](C)[C@H]2C)n1 781126159 APRRCHHHTIBSRN-RKDXNWHRSA-N 266.776 3.662 30 20 CHED CCCNc1ccc(C#N)cc1NCc1c(C)noc1C 795266491 LUEQSLAVZFWTPE-UHFFFAOYSA-N 284.363 3.597 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc(N=S(C)(C)=O)c1 896038447 QADCXKDFCNLTAL-LBPRGKRZSA-N 293.436 3.786 30 20 CHED CCCCCC[C@@H]1CCCC1=NNCC(C)(C)CO 799115625 ILJWSKIDPRKLPS-CQSZACIVSA-N 268.445 3.721 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc(C#N)s1 799491167 DBRBSCHYPIKOJH-UHFFFAOYSA-N 269.373 3.937 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cnn(CC2CCC2)c1 899367300 ZGXWZKLZHAOUGD-SREVYHEPSA-N 295.386 3.537 30 20 CHED C[C@@H](NN=Cc1ccc(Oc2cnccn2)cc1)C(C)(C)C 793110873 CHBKZLUNOQIVPK-CYBMUJFWSA-N 298.390 3.627 30 20 CHED C=CCC(C)(C)C(=O)OCc1csc([C@@H](C)OCC)n1 796473135 DZELNJALAXFRPP-LLVKDONJSA-N 297.420 3.886 30 20 CHED CC(C)C1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 1137558771 MZRSDSGKPQHYAK-UHFFFAOYSA-N 297.185 3.593 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1C#N 799719575 QMEZTVNXNHEXNQ-IAOVAPTHSA-N 282.387 3.517 30 20 CHED CC(C)(C)CC=NNc1cccc(F)c1[N+](=O)[O-] 790310302 CTMDPJXENZOSBO-UHFFFAOYSA-N 253.277 3.568 30 20 CHED C=CCCCCC[C@@H](C)NCc1ncccc1F 793547565 JTKJISKGFVTAEA-CYBMUJFWSA-N 250.361 3.835 30 20 CHED O=C(/C=C/c1ccc(C(F)F)cc1)c1cccnc1 794926094 ITCPVDQAJJZSJL-VMPITWQZSA-N 259.255 3.915 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2csc(C)n2)cc1 799519668 NLZUAKUZCPRCEM-CYBMUJFWSA-N 286.356 3.578 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc(F)cc1OC(F)F 790184402 VJDFLYYNVRBUHK-MRVPVSSYSA-N 274.286 3.539 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1ccccc1Cl 791008896 RBAWMGKGJMHHDG-RYUDHWBXSA-N 278.783 3.502 30 20 CHED CC(=NOCC(F)F)c1cc(C)c(Br)s1 794928438 GSUFDZXERNMCSY-UHFFFAOYSA-N 298.152 3.825 30 20 CHED Cc1ccc(SCc2ccc(C#N)cn2)c(C)c1 565458235 FWFKZBDPIJRZGS-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CCCOc1ccc(C=NN[C@H](C)CC)cc1OCC 790186912 CTQBTYVRJQNTCM-CYBMUJFWSA-N 278.396 3.596 30 20 CHED CCCOc1ccc2[nH]cc(C=NOCCSC)c2c1 794573061 PDBOCKBQWVAQRQ-UHFFFAOYSA-N 292.404 3.670 30 20 CHED CN(CC1CCC(C(F)(F)F)CC1)CC(C)(C)C#N 568376360 BMPGZWDTEVOCPB-UHFFFAOYSA-N 276.346 3.837 30 20 CHED FC(F)(F)CCNN=C1CCCCc2ccccc21 794551095 BFCRWHRUYCOOQW-UHFFFAOYSA-N 270.298 3.659 30 20 CHED C#CCOc1cccc(NC(=O)c2ccoc2C(C)C)c1 795084338 CHORUNIIILCVBZ-UHFFFAOYSA-N 283.327 3.667 30 20 CHED C=CCSCCNCc1csc(C(F)(F)F)c1 598962267 GAVMLLYLMBAVAT-UHFFFAOYSA-N 281.368 3.776 30 20 CHED CS[C@@H]1CCC[C@@H](N[C@H](C)CC(C)(C)C#N)C1 695860169 SWYSNAFTCVCEMM-JHJVBQTASA-N 254.443 3.579 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 94591521 VWDPMFQEQORWGW-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CCOc1ccc(CNc2cccc(CC#N)c2)cc1F 1308406564 DEVJZXBZFYHDRI-UHFFFAOYSA-N 284.334 3.903 30 20 CHED C=C(Cl)CN1C[C@H](c2cccc(F)c2)OCC1(C)C 1307934256 NTXYFMWWCTZZQC-CQSZACIVSA-N 283.774 3.730 30 20 CHED C=CCN(Cc1ccc(N2CCCC2)cc1)C(C)C 1319800210 CTHKPEUBZYYGPC-UHFFFAOYSA-N 258.409 3.683 30 20 CHED CC(C)CC[C@H](NCc1cccc(OCC#N)c1)C1CC1 1327171037 OHGMTXNONQFMST-SFHVURJKSA-N 286.419 3.893 30 20 CHED N#Cc1ccc(NCc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] 1326461272 VRWROHJREWWLHM-UHFFFAOYSA-N 293.326 3.567 30 20 CHED O=C(CC#Cc1ccccc1)NCCC1CCCCC1 1322553978 ZJJYVEAHVFEGBM-UHFFFAOYSA-N 269.388 3.515 30 20 CHED Cc1cc(NCCC2CC2)n2c(nc3ccccc32)c1C#N 1185544145 OMARUEUYWRIVDP-UHFFFAOYSA-N 290.370 3.880 30 20 CHED CC(CCc1ccco1)=NNc1ccc(C(C)(C)C)nn1 1321923463 WQVXPIYGTHUEMI-UHFFFAOYSA-N 286.379 3.788 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1320647778 XDTFTNFBSKZADS-GJZGRUSLSA-N 264.413 3.564 30 20 CHED CC(C)C1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 1184772509 PHIYDURCDCKEOU-UHFFFAOYSA-N 285.391 3.895 30 20 CHED Cc1ccc([C@@H](C)CNCc2ccc(C#N)c(F)c2)cc1 1182369454 MZVHAQWXYHAZGK-AWEZNQCLSA-N 282.362 3.899 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cccc(C(F)F)c1 1255372264 RABLNIBYYUMWDQ-UHFFFAOYSA-N 282.334 3.732 30 20 CHED CON(Cc1ccc(C#N)s1)[C@@H](C)c1csc(C)n1 1333240489 HKWGISICTIZWSK-VIFPVBQESA-N 293.417 3.509 30 20 CHED CC(C)C#CC(=O)Nc1ccc(SC(F)(F)F)cc1 1330152552 MADILNXPJHESCJ-UHFFFAOYSA-N 287.306 3.896 30 20 CHED CC(C)c1ccccc1C(=O)NCc1ccc(C#N)c(F)c1 1190271789 DROWTRWQTPFILJ-UHFFFAOYSA-N 296.345 3.751 30 20 CHED C=C1CCC(C(=O)N[C@@H](CCOC)c2ccc(C)o2)CC1 1262084535 VITKTDKTIFXNDP-HNNXBMFYSA-N 291.391 3.528 30 20 CHED C[C@H](Nc1cccc(CC#N)n1)c1cccc(F)c1F 1342858359 GAFMASTXYHEFET-JTQLQIEISA-N 273.286 3.599 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1cccc(OCC#N)c1 1350145627 LVHUFQGUFYCTTO-FUHWJXTLSA-N 284.403 3.813 30 20 CHED N#Cc1ccsc1C(=O)O[C@H]1CCc2cc(F)ccc21 1355278261 INYXNCHUBZDBKL-ZDUSSCGKSA-N 287.315 3.603 30 20 CHED CCC1(CNC2CC(C#N)(c3ccccc3)C2)CCC1 219177206 OKQDBWLHRGJTFU-UHFFFAOYSA-N 268.404 3.780 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1C 1520874739 HGIPNWWZRMBSRQ-CPUCHLNUSA-N 297.398 3.958 30 20 CHED CC1(C)CC[C@@H](C(=O)O[C@@H](CC#N)c2ccco2)C1 1520425290 NKKPZYXUAFWHAQ-YPMHNXCESA-N 261.321 3.604 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1c(F)cccc1F 1521633677 YVUXESUTJGENGB-UHFFFAOYSA-N 267.319 3.526 30 20 CHED COc1cc(Cl)ccc1NC(=O)c1ccsc1C#N 1539348324 QAOYYKGYLAAJJU-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C=CCCCNC(=O)Nc1cc(C(=O)O)c2ccccc2c1 1602874990 OCWPLIYLPZAGSK-UHFFFAOYSA-N 298.342 3.626 30 20 CHED Cc1cc(Nc2ccc([N+](=O)[O-])cc2C#N)ccc1F 112671057 GIVSMQVXHOGFIO-UHFFFAOYSA-N 271.251 3.658 30 20 CHED Cc1cc(N[C@H](Cc2ccccc2)C(C)C)ncc1C#N 1612899178 KYQXRUZHJPJOQM-QGZVFWFLSA-N 279.387 3.941 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)CC1 117396175 HZAMKQHFSMGZAO-ZDUSSCGKSA-N 271.364 3.602 30 20 CHED Cc1ccc2oc(C(=O)Nc3cc(C#N)cc(C)n3)cc2c1 1544529003 MFXNVVVMNFNLES-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CN=c1cc[nH]c(C#N)c1 1559089420 LREQVKVVOKMNDV-CJNGLKHVSA-N 271.408 3.640 30 20 CHED CCc1nc(C#N)cc(NC[C@@H]2CCCC[C@@H]2CC)n1 1559200999 FVQYSCGSJLPCGI-STQMWFEESA-N 272.396 3.539 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2ccc(C#N)c(C)n2)c1 1559119588 PPEKXCMXRJLLMD-CQSZACIVSA-N 279.387 3.922 30 20 CHED C=C(C)CN(CC)Cc1cc(Cl)ccc1OC 61758786 CTKWPWREMSGCBO-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C[C@H](CC(C)(C)C#N)NCC[C@H]1CNc2ccccc21 1575921896 HZKFODWWVJYJNP-KGLIPLIRSA-N 271.408 3.504 30 20 CHED CO[C@]1(C)C[C@H](N(C)CCC2(C#N)CCCCC2)C1(C)C 1644690612 HPYBRORSQPSCCB-DOTOQJQBSA-N 292.467 3.986 30 20 CHED C=CCCc1ccccc1NCc1ccoc1C(=O)O 1588817370 JBNCKKKJJFHULQ-UHFFFAOYSA-N 271.316 3.709 30 20 CHED C=C(C)C[C@@H](C)C(=O)Oc1ccc(C(=O)O)cc1Cl 1588536939 WAOLFKBXXOFCJQ-SECBINFHSA-N 282.723 3.546 30 20 CHED CC(C)C[C@H](C)OC(=O)N1CCCC(C)(C)[C@@H]1C#N 1655248407 NZRQEUOLNFOXID-STQMWFEESA-N 266.385 3.572 30 20 CHED Cc1cccc(CC2CN(Cc3ccc(C#N)c(F)c3)C2)c1 1658605434 AIPQLAIIYXLQDY-UHFFFAOYSA-N 294.373 3.680 30 20 CHED C=C(C)c1cccc(NC(=O)c2ccc(/C=C/C(=O)O)o2)c1 1588606289 VEHDPLJIJQKOKV-VQHVLOKHSA-N 297.310 3.663 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1Cc1ccc(C#N)c(OC)c1 1658205498 LDQNOVOVFJVWBX-WMLDXEAASA-N 286.419 3.967 30 20 CHED COc1cccc(CN2CCc3ccc(C#N)cc32)c1Cl 1654032379 NUAHGFZTEKXKDI-UHFFFAOYSA-N 298.773 3.783 30 20 CHED C=CCC[C@@H](CCC)N[C@H](C(=O)O)c1ccccc1F 1588777962 NYRYFEDZRPSNPB-DOMZBBRYSA-N 279.355 3.676 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cc(C#N)ccc2F)c(C)c1 1662509299 WWBRFEYUXBEFCH-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CCc1cccc(N(C)C(=O)[C@@H](CC#N)c2ccccc2)c1 1596549195 LWKZPZKWABHRPQ-SFHVURJKSA-N 292.382 3.909 30 20 CHED CC(=NOCC(C)C)c1cc(C(=O)O)ccc1OC(C)C 1776112196 INESSQAONUSEIR-UHFFFAOYSA-N 293.363 3.569 30 20 CHED CC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@@H]1CC12CC2 1776034241 UYINJGWFQSVIEY-NSHDSACASA-N 278.739 3.626 30 20 CHED CC(C)C[C@@H]1CCCC1=NNc1ccc(C(=O)O)cc1 1776013751 NUFHOUBCTPKQHC-ZDUSSCGKSA-N 274.364 3.999 30 20 CHED Cc1cccc(C)c1NC(=S)Nc1cccc(C#N)c1 16182473 VBELFKVWSNXSRX-UHFFFAOYSA-N 281.384 3.984 30 20 CHED CC(C)CCOc1ccc(NC(=O)N[C@H](C)CC#N)cc1 161581083 ZURUOMODCPBILK-CYBMUJFWSA-N 289.379 3.535 30 20 CHED CCc1ccccc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 158903038 HLNWJZGROBZKGN-UHFFFAOYSA-N 295.386 3.929 30 20 CHED Cc1cc(C#N)ccc1CN1CCCc2ccccc2C1 165477833 PPQDWWIUTGQDJH-UHFFFAOYSA-N 276.383 3.815 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3cc(F)cc(F)c3)n2c1 151443583 YDOUMQSBYNNYBD-ONEGZZNKSA-N 298.292 3.817 30 20 CHED CC(C)CSCCCN(CCC#N)Cc1ccccn1 155071997 SZOYZHGVUHBNOZ-UHFFFAOYSA-N 291.464 3.577 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C#N)C(C)(C)C 155280766 ICKGHAORYCOPCC-SMDDNHRTSA-N 292.810 3.573 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C[C@H](C)C1 156255876 FAKUBEYZGHCFAN-ZIAGYGMSSA-N 285.391 3.653 30 20 CHED Cc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)nc1 154180203 VFNXCKCVPMQNLP-OALUTQOASA-N 291.398 3.662 30 20 CHED C#CCCCCNC(=O)Nc1cccc(CSCC)c1 154815183 NLRGPNHLMJZJOB-UHFFFAOYSA-N 290.432 3.865 30 20 CHED N#Cc1ccc(F)c(COc2ccc(Cl)cc2)c1 19804870 DWIKDHLGANXESY-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1cccc(CCNc2nccc(C#N)c2Cl)c1 235905159 JDSJEIAWEVSCFA-UHFFFAOYSA-N 271.751 3.570 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H](C)c1cccs1 130430238 GJGHUMBFTQLXSI-LBPRGKRZSA-N 286.400 3.821 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCSc1ccccc1Cl 264014958 CQLONRHZEPLQNY-NSHDSACASA-N 296.823 3.583 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)CCc2ccco2)n1 44289533 UKKXKGQRAQLIMA-GFCCVEGCSA-N 269.348 3.596 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 51628215 UHLHJNZIIKNEQF-QGZVFWFLSA-N 268.335 3.938 30 20 CHED C[C@@H](CNc1ccc(Cl)cc1C#N)CN1CCCCC1 52857451 HZDJLVXCZDWMBJ-ZDUSSCGKSA-N 291.826 3.746 30 20 CHED C=CCN(C)Cc1ccc(Br)cc1Cl 484641614 INYUUERVAYIGIH-UHFFFAOYSA-N 274.589 3.720 30 20 CHED CC(C)c1ccc(Sc2ccc(C#N)nn2)cc1 301938788 SRRPIRUSXIWWOY-UHFFFAOYSA-N 255.346 3.623 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(F)c1)C1CCCC1 404196372 JEJGKIQOYDRCRM-MRXNPFEDSA-N 260.356 3.756 30 20 CHED CC[C@@H](C)N(CCCSCC#N)Cc1ccccc1 74981317 VMYDMJWJZRDLTN-OAHLLOKOSA-N 276.449 3.934 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccccc1C(F)(F)F 320270829 LLPMITVXNIIOMV-RYUDHWBXSA-N 287.325 3.683 30 20 CHED C=CCC[C@H](CO)NCc1c(Cl)oc2ccccc12 321534055 ZAYCFAQIUPDCRG-LLVKDONJSA-N 279.767 3.503 30 20 CHED C=CCC[C@H](C)N[C@H]1CCOC2(CCCCC2)C1 544591569 IAZHEDCSCAFNQZ-GJZGRUSLSA-N 251.414 3.813 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 444772189 MLJRZXNNRBMNGP-CQSZACIVSA-N 260.356 3.565 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C(=O)O)c(C)o1 692254159 MOQBXSBWBCOYQJ-DOMZBBRYSA-N 277.364 3.511 30 20 CHED COc1cccc(C=NNc2ccc(Cl)cc2)c1O 916246993 SQTQPICZLVPJAA-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C=CCCC[C@@H](C)NC1CCC(O)(C(F)(F)F)CC1 398191995 RUVBDFJYUOWTPV-PNESKVBLSA-N 279.346 3.557 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1csnn1 398360142 LXWUPSPHXBCWST-SSDOTTSWSA-N 298.293 3.602 30 20 CHED CCN(CC)c1ccc(/C=N/Cc2ncccc2C)c(O)c1 105356211 NUQBBQFWAYRRSY-XDHOZWIPSA-N 297.402 3.561 30 20 CHED N#CC1CCN(CCCOc2cccc3ccccc23)CC1 57872779 XOISDZCGIGBIMW-UHFFFAOYSA-N 294.398 3.844 30 20 CHED CC(C)c1ncc(CN[C@H](C)c2ccc(C#N)cc2)s1 343189856 CEPZNLZMDRYIRU-GFCCVEGCSA-N 285.416 3.989 30 20 CHED N#Cc1ccc(NCCOc2cccc3ccccc23)nc1 52486349 DIADMHOSGKLHDA-UHFFFAOYSA-N 289.338 3.597 30 20 CHED C=CC1CCN(C(=O)CCCOc2ccccc2C)CC1 110368549 NCCPMFWSSQDSHZ-UHFFFAOYSA-N 287.403 3.579 30 20 CHED C=CCOCCCC(=O)N[C@H](c1ccccc1C)C(C)C 173359077 POIYPVLWVBPOGZ-SFHVURJKSA-N 289.419 3.791 30 20 CHED CCCCCCCNC(=O)COc1ccccc1Cl 100063951 NSIKMNKIPDCBEP-UHFFFAOYSA-N 283.799 3.805 30 20 CHED CCSCC[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 173868391 LHNNWYIQMKVPSI-ZIAGYGMSSA-N 292.448 3.599 30 20 CHED CCSc1ccc([C@@H](C)NC[C@@H](C#N)CCC#N)cc1 112543456 GYYPONFHVVVXLW-ZIAGYGMSSA-N 287.432 3.893 30 20 CHED C=CC1CCN(C(=O)Nc2cc(F)c(F)cc2F)CC1 111763853 LVXMWAIYKVFEGE-UHFFFAOYSA-N 284.281 3.534 30 20 CHED N#Cc1ccc(OCc2ccc(C(=O)O)s2)c(Cl)c1 109600479 CRWIYIHHAGHAET-UHFFFAOYSA-N 293.731 3.550 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)Cc2cccc3ccccc23)C1 179949663 AGPVFGVBBOYKHN-CJNGLKHVSA-N 279.339 3.618 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)c2ccsc2)n1 61364589 HBPRJJLOTJJDCC-LLVKDONJSA-N 257.362 3.805 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C)cc1)C1(C#N)CCC1 67684058 SBHPVXQSYPXDEG-UHFFFAOYSA-N 270.376 3.502 30 20 CHED N#Cc1ccccc1OCc1nc(Cl)ccc1Cl 61639501 GHZJCJXKWSSFCC-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC2(CCCC2)C1 1341966784 RCRACHBZRUKYSK-UHFFFAOYSA-N 296.365 3.562 30 20 CHED CC1(C)CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 174903888 JSOBELYZNTTYGR-UHFFFAOYSA-N 285.391 3.752 30 20 CHED C[C@H](NCc1cccc(C#N)c1)[C@H](C)c1ccccc1 177582822 ZATRUZYXZHIJKA-GJZGRUSLSA-N 264.372 3.840 30 20 CHED N#Cc1ccc(SCc2noc(-c3ccsc3)n2)cc1 69271719 ZHKWCWJHIUYVAB-UHFFFAOYSA-N 299.380 3.962 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C)CC1 69605519 NSNJOYRTDZUOSE-LBPRGKRZSA-N 271.364 3.521 30 20 CHED C=CC1CCN(c2nc3ccccc3cc2C)CC1 301724633 OXCACOLRMCABCP-UHFFFAOYSA-N 252.361 3.946 30 20 CHED C#CCCCNC(=O)N[C@H](C)c1oc2ccccc2c1C 174078648 MAXYVIRLIXXWHE-CYBMUJFWSA-N 284.359 3.515 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cn1 60108530 CAHOFERLLJKTMH-VMPITWQZSA-N 294.276 3.818 30 20 CHED CCCCCC(C)(C)C(=O)N(CC)C[C@@H](C)C#N 177602557 LLYMAHUAOGEZJY-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED N#Cc1cc(NC(=O)c2ccc3ncsc3c2)ccc1F 170845441 QOGPSXNPESNUCJ-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccc(C)cc2C)c1 302080813 BVQRTKWPSZDIOL-UHFFFAOYSA-N 278.355 3.990 30 20 CHED CC(C)(C)c1ccc([C@H](O)C/N=C/c2ccccc2O)cc1 115961544 YJRMHRGLTWVQHZ-BAOGCXAUSA-N 297.398 3.842 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1ccc(Cl)nc1 179413731 CFIQSYQRIFREPB-AATRIKPKSA-N 279.673 3.909 30 20 CHED N#CCC1(CNC(=O)Nc2cccc(C(F)(F)F)c2)CC1 404230625 QANJMLGIJHXEQE-UHFFFAOYSA-N 297.280 3.521 30 20 CHED Cc1cnc(CNc2cc(C#N)ccc2OC(C)C)s1 179955757 WOAQAHNWOZUFNA-UHFFFAOYSA-N 287.388 3.723 30 20 CHED Cc1ccc(Nc2cccc(C#N)n2)cc1OC(F)F 301846094 MLQZIRUFRMKXEL-UHFFFAOYSA-N 275.258 3.607 30 20 CHED C=CCC(CC=C)C(=O)NCc1nc2ccccc2s1 121983728 BIUKNAAMMLAQOJ-UHFFFAOYSA-N 286.400 3.681 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2o1 32615036 SBLCVSKQTSFZTR-UHFFFAOYSA-N 290.322 3.577 30 20 CHED CCOc1cccc(/C=N/[C@H]2CC(C)(C)OC2(C)C)c1O 182048192 UPZQXMOQVPXUHK-BGARDKSCSA-N 291.391 3.556 30 20 CHED CC#CCCCC(=O)N(CC)C12CC3CC(CC(C3)C1)C2 184931603 PQZLWBDBQAZQRI-UHFFFAOYSA-N 287.447 3.997 30 20 CHED COC(=O)c1cc(NCC(C)(C)CCC#N)ccc1C 181107602 JJFIPOYFOJJEIP-UHFFFAOYSA-N 274.364 3.524 30 20 CHED C[C@H](Nc1nc2ccccc2[nH]1)c1cccc(C#N)c1 301857366 DLLHWRKYIQGWBV-NSHDSACASA-N 262.316 3.608 30 20 CHED CC(C)(C)c1ccc(C2(NC(=O)CC#N)CCCC2)cc1 185582590 BEWUDVQXCJQOJB-UHFFFAOYSA-N 284.403 3.783 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Cl)cc1OCC 180355340 UPRKWIKWFFNWQZ-UHFFFAOYSA-N 281.783 3.777 30 20 CHED CC[C@@H](NCCCC(C)(C)C#N)c1c(C)noc1C 182394927 UCRSVAQFKIMFOA-CYBMUJFWSA-N 263.385 3.662 30 20 CHED Cc1cccc([C@H]2CCCN2CCCSCC#N)c1 74982072 LPJNPRZCCCEGDA-MRXNPFEDSA-N 274.433 3.779 30 20 CHED C[C@@H]1CCCCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 410490279 RJFRXEYUQBRVRH-OAHLLOKOSA-N 298.430 3.918 30 20 CHED C=CCC[C@H](NCCc1nc(C)c(C)s1)C1CC1 121698996 VMCOLSYPWBLWNM-AWEZNQCLSA-N 264.438 3.637 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 185680344 CUNHUHYWQVGKEJ-AEFFLSMTSA-N 283.415 3.832 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(C)Cc2cccc(C#N)c2)CC1 188124251 DBFHPKRIDFISFG-KDYLLFBJSA-N 284.403 3.733 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@H]1OCCc2ccccc21 182601073 LOSNIUHGULRCBB-YOEHRIQHSA-N 287.403 3.552 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1SC(C)C 180454672 SYDYANNXVGPHDF-UHFFFAOYSA-N 263.406 3.835 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCCC(C)(C)C2)cc1 121133133 DUECVCRPXFVTNY-CQSZACIVSA-N 272.392 3.599 30 20 CHED C=C(Cl)CNC(=O)/C=C\c1cc(Cl)cc(Cl)c1 310046127 SQNHIYIVBJUVES-IHWYPQMZSA-N 290.577 3.875 30 20 CHED CC[C@H](NC1(c2cccc(C#N)c2)CC1)[C@@H]1C[C@H]1C 414092283 FPKMHXRKINMIJV-WQVCFCJDSA-N 254.377 3.572 30 20 CHED C=C(Cl)CN1CCC(OC2CCCCC2)CC1 126917683 BPMMSSVOFKJITG-UHFFFAOYSA-N 257.805 3.553 30 20 CHED Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1cccc(C#N)c1 182060636 ZQHFRASHFPXEDT-RYUDHWBXSA-N 283.375 3.617 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(N2CCCCC2)cn1 125995229 XIRAECYLYVSAFN-UHFFFAOYSA-N 299.418 3.779 30 20 CHED Cc1sc(NC(=O)c2ccnc(Cl)c2)c(C#N)c1C 37978873 VZDHTCTXKUETAX-UHFFFAOYSA-N 291.763 3.537 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCC1CCOCC1 314420033 QMRQYIQSFAUOFQ-UHFFFAOYSA-N 298.308 3.806 30 20 CHED Cc1cccnc1CNc1ccc(C(F)(F)F)cc1C#N 71345052 SFYVFQSICMPTQU-UHFFFAOYSA-N 291.276 3.893 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2ccc(Cl)cc2)C1 185755157 PIWKEZQAZQQDGD-ZFWWWQNUSA-N 262.784 3.554 30 20 CHED C=CCN[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 185814686 BKYSBLJYRNLOEJ-MNOVXSKESA-N 257.299 3.973 30 20 CHED CC(C)CCCSCC(=O)Nc1sccc1C#N 180091578 IWZATLRWOHRTAF-UHFFFAOYSA-N 282.434 3.728 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(O[C@@H](C)CC)cc1 410825371 FVJFAWRRIRITHD-ZFWWWQNUSA-N 288.391 3.628 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](Cc2ccccc2)C1 188447401 CZAJGDLSIUSQCY-AEFFLSMTSA-N 271.404 3.680 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@H](CC)C1 48199633 XLFHZWPCAYCUGC-CQSZACIVSA-N 273.376 3.514 30 20 CHED C=C(C)CCc1noc(COc2cc(C)ccc2C)n1 508665564 WPBGYGACGHTKMB-UHFFFAOYSA-N 272.348 3.774 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@@H]1CCCC[C@H]1OC(F)F 503935145 BFFKDGNZECUNEH-YVECIDJPSA-N 261.356 3.727 30 20 CHED C[C@@H]1c2ccc(Cl)n2CCN1CCCC(C)(C)C#N 284346622 RNQOAPSJYMSOGD-GFCCVEGCSA-N 279.815 3.848 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)Nc1nccs1 328745552 KZELKVNGZFBOJT-QJPTWQEYSA-N 279.409 3.828 30 20 CHED CCCN(CC#N)C(=O)[C@@H](C)c1ccc2ccccc2c1 84531293 XQZSGSZXJDHJGK-AWEZNQCLSA-N 280.371 3.705 30 20 CHED CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 46439647 VBFUIOQBLCPBSH-OAHLLOKOSA-N 278.355 3.869 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 44819209 DDWDPHOMVYHYEB-QWHCGFSZSA-N 296.292 3.865 30 20 CHED C=C(C)COc1cccc(NCc2c(Cl)cnn2C)c1 132351795 PJFSVBGAUHYPAH-UHFFFAOYSA-N 291.782 3.641 30 20 CHED CC(C)(C#N)CCSCCOCC1CCCC1 419473389 JKNPECWKACXMFW-UHFFFAOYSA-N 255.427 3.866 30 20 CHED Cc1nc(CC/N=C(/O)C2CCCCCC2)c(C)o1 329052025 WSJDVBUEJRTNPK-UHFFFAOYSA-N 264.369 3.761 30 20 CHED N#Cc1c(F)cccc1CSCC1CC(F)(F)C1 419517029 VUTPXEWYWKXOHC-UHFFFAOYSA-N 271.307 3.976 30 20 CHED CC[C@@H](C)CN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412159961 ITAZFZBUHGWZPU-XOKHGSTOSA-N 284.403 3.556 30 20 CHED C[C@@H](O)CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 411510867 ZTBYOWPMARLTFA-HUUCEWRRSA-N 294.398 3.647 30 20 CHED N#Cc1ccc(NC(=O)C2CCCC2)cc1C(F)(F)F 88191882 RBOIJHUWISHJAQ-UHFFFAOYSA-N 282.265 3.706 30 20 CHED CCCCCCCCC(=O)NCc1cccc(O)c1 43274231 CDPKSYSFHPABFT-UHFFFAOYSA-N 263.381 3.759 30 20 CHED CC(=O)CCCCCCC(=O)Nc1ccc(F)c(C#N)c1 133045549 OUFNFPRZBWDWMJ-UHFFFAOYSA-N 290.338 3.565 30 20 CHED C=CCCCCCN1CCN(CC(F)(F)F)CC1(C)C 193535939 SFOTYBMLCCFEML-UHFFFAOYSA-N 292.389 3.691 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 135445346 AZTHZGPJEHFFME-SNVBAGLBSA-N 284.762 3.585 30 20 CHED CCc1nc(COc2ccc(C#N)cc2Cl)cs1 42238006 DJBHRHFZVXDJOS-UHFFFAOYSA-N 278.764 3.810 30 20 CHED CCCCSCCC(=O)Nc1ccc(CC#N)cc1 131740034 WFTZVBUPDSXCNB-UHFFFAOYSA-N 276.405 3.615 30 20 CHED CC(C)Cc1ccc(CCCC(=O)NC2(C#N)CCC2)cc1 133216996 WBBOBCGRYCPPFU-UHFFFAOYSA-N 298.430 3.770 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnc3c(C)cccn23)o1 83982106 CQZGBPPJUOBUNO-SOFGYWHQSA-N 280.327 3.694 30 20 CHED CCOc1ccc(O)c(/C=N/CC(C)(C)c2ccncc2)c1 131238946 GJJAMPWUHDAQOC-UDWIEESQSA-N 298.386 3.583 30 20 CHED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(-n2cccn2)c1 192920888 DJBXLLXUYBXDQK-ZOBUZTSGSA-N 294.402 3.605 30 20 CHED COc1cccc(CNc2cc(C#N)ccc2OC(C)C)c1 518700083 PDJFTYYMOHUAKI-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc(C#N)c1F 512398479 ACYBVGYBLXIVJC-UHFFFAOYSA-N 294.373 3.928 30 20 CHED CC[C@@H]1CCCN(c2nccc(C#N)c2Cl)CC1 233946948 JHDRMFXLTREUMH-LLVKDONJSA-N 263.772 3.623 30 20 CHED COc1cc(C#N)ccc1O[C@@H](C)c1ccc(C#N)cc1 194624598 CFMZJAPFGJTUCH-LBPRGKRZSA-N 278.311 3.579 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1[N+](=O)[O-] 237587224 HTTZDAVVVZEAHZ-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED CCc1nocc1CNc1cccc(OCCCC#N)c1 339196150 QQGTZLNXJGFJQA-UHFFFAOYSA-N 285.347 3.532 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCCc3c([nH]c4c(F)cccc34)C2)C1 334342719 QFVGPHUYEVUIQG-CHWSQXEVSA-N 297.377 3.747 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N[C@@H]1CC[C@H](C#N)C1 424321192 HAZXXDHZYHYXPV-GVDBMIGSSA-N 256.393 3.598 30 20 CHED COc1ccc(C#N)cc1CSc1ccncc1C 338627701 RGJZGPKKLBHORH-UHFFFAOYSA-N 270.357 3.563 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)[C@]1(C#N)C[C@H]1C 336209324 KAUDFDCDNSIMLB-RNCFNFMXSA-N 282.265 3.502 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCOCC1CCCC1 425531248 HEIMPNJXXWURIM-OAHLLOKOSA-N 286.419 3.758 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)C(C)(C)C)cc1 518832897 ZHRPTHMMEGSEGQ-IUODEOHRSA-N 272.392 3.612 30 20 CHED CC(C)CCSCC(=O)Nc1ccc(Cl)c(C#N)c1 512298140 CXKYXOPHFWKLRS-UHFFFAOYSA-N 296.823 3.929 30 20 CHED C[C@H](CCc1cccc(F)c1)NCc1ccc(C#N)s1 516393241 NVRBDDCYILVVJJ-GFCCVEGCSA-N 288.391 3.870 30 20 CHED CC(C)c1ccc(Sc2cc(C#N)ncn2)cc1 385180780 RQZGDEROZJFJPY-UHFFFAOYSA-N 255.346 3.623 30 20 CHED N#CCCCCNCc1cc(Cl)ccc1OC(F)F 237809175 GEHCFTULQMSKEQ-UHFFFAOYSA-N 288.725 3.725 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 617789987 ZKONEWQEYMSXLA-LLVKDONJSA-N 281.758 3.907 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 437495008 JDNFYPRKMFDXLO-NUTKFTJISA-N 293.357 3.929 30 20 CHED CC(C)c1ccc(N/C(O)=N/[C@@H](C(C)C)C(C)(C)O)cc1 331175259 PMTIUCUBBILDMU-HNNXBMFYSA-N 292.423 3.931 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(O)c2nc(C)ccc12 338368910 OEFBIGGCCCMOSX-HNNXBMFYSA-N 282.387 3.789 30 20 CHED Cc1ccc([N+](=O)[O-])cc1/C(O)=N/[C@]1(C)CC=CCC1 331361686 ZJQUVYMVGBWWCR-OAHLLOKOSA-N 274.320 3.707 30 20 CHED C=CC(C)(C)CN[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 384907576 CMHDKFYDFXQCEG-AWEZNQCLSA-N 296.455 3.578 30 20 CHED N#CCC[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 247027596 YFOATCNANWGQSY-DKIMLUQUSA-N 296.414 3.974 30 20 CHED C[C@H]1CC[C@H](C)N1CC#Cc1ccc(OC(F)(F)F)cc1 438536017 ULPANHCRPUOBON-STQMWFEESA-N 297.320 3.810 30 20 CHED CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCC(C)(C)C1 432056585 DAGFYCKDCXFZIH-ZDUSSCGKSA-N 289.354 3.740 30 20 CHED C=CCCCc1nc(C(C)(C)c2cc(C)ccn2)no1 528265520 FRDJOVOOOKNUEC-UHFFFAOYSA-N 271.364 3.608 30 20 CHED C[C@H](c1ccccc1Br)N(C)CC1(C#N)CC1 347456396 FHMPERFJJHZHSM-LLVKDONJSA-N 293.208 3.746 30 20 CHED Cc1cc(C)cc(C(=O)Nc2scc(C)c2C#N)c1 344897281 OIDKZNKPWRAUPN-UHFFFAOYSA-N 270.357 3.797 30 20 CHED CN(C(=O)CCCc1ccccc1)c1ccc(C#N)cc1F 608798279 NIXCMVQNHVHEAT-UHFFFAOYSA-N 296.345 3.683 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H](c2ccccc2)C1 602670925 SDJUWQBUPQZOJK-RDJZCZTQSA-N 256.393 3.806 30 20 CHED C[C@@H](CSc1ccc(C#N)cn1)c1ccccc1 522624698 MGPKUICGQFDOJI-LBPRGKRZSA-N 254.358 3.849 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1 346819022 QZFGJAHXORFOMO-UHFFFAOYSA-N 298.411 3.918 30 20 CHED CCc1occc1C(=O)Nc1cc(C#N)ccc1OC(C)C 430398464 IRFDBFQVBSCFLY-UHFFFAOYSA-N 298.342 3.753 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)OC[C@H]2CCCCO2)n1 340780116 SKHDLBBWFNODQL-CHWSQXEVSA-N 294.395 3.570 30 20 CHED N#CC1(CN(Cc2ccco2)c2ccccc2)CC1 343297734 CRKCSQWMDTUNKR-UHFFFAOYSA-N 252.317 3.590 30 20 CHED Cc1ccc(-c2csc(NC(=O)[C@H](C)C#N)n2)cc1C 345674744 YKZZRJMLIUOUEQ-LLVKDONJSA-N 285.372 3.525 30 20 CHED COc1ccccc1C1(CNCC(C)(C)CCC#N)CC1 343991262 SXDGHYGYDLPPGN-UHFFFAOYSA-N 286.419 3.646 30 20 CHED Cc1cccc(C(=O)/C=C\c2cccc3nccn23)c1 255391270 KIRSKLSEIUULKJ-HJWRWDBZSA-N 262.312 3.539 30 20 CHED Oc1nc2ccccc2cc1C=Nc1ccc(F)cc1F 255275194 GIFRWEDGHJNGLE-UHFFFAOYSA-N 284.265 3.969 30 20 CHED C[C@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(C)(C)C#N 255674918 PXKKWTKHJUIYAY-OEYXZAGESA-N 294.354 3.729 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 604898314 PWSXDCQMSRVCRP-RRFJBIMHSA-N 266.429 3.855 30 20 CHED CN(C(=O)C/C=C\c1ccccc1F)c1cccc(C#N)c1 255358247 SCHBEJSNCZWSMI-YVMONPNESA-N 294.329 3.764 30 20 CHED C=C(C)CCc1noc(-c2cnc([C@H]3CCCO3)s2)n1 349771445 LUIXOYCSLHNDNQ-SNVBAGLBSA-N 291.376 3.553 30 20 CHED CCCCN(C(=O)c1ccc(CC#N)cc1)c1ccccn1 602404858 QDKGQGPEMBESKS-UHFFFAOYSA-N 293.370 3.595 30 20 CHED Cc1c(C(=O)Nc2cc(F)cc(C#N)c2)ccn1C(C)C 601709295 CTMVEJJWZVRQHS-UHFFFAOYSA-N 285.322 3.641 30 20 CHED CC#CCCSC[C@@H](OC)c1ccc(F)cc1 600634222 DRGOBZGOOUVHJD-CQSZACIVSA-N 252.354 3.660 30 20 CHED CC1(C)CN(C(=O)c2ccc(CC#N)cc2)[C@H]1c1ccco1 601700434 RLXRUAHBQZPPPH-INIZCTEOSA-N 294.354 3.569 30 20 CHED CCCn1nc(C)c(CNc2cccc(CC#N)c2)c1C 449699005 NZCKHXANLSSHPE-UHFFFAOYSA-N 282.391 3.588 30 20 CHED Cc1ccc(CCCN(CCC#N)CCC(C)C)cn1 353630030 WZHISRKEFAMOTP-UHFFFAOYSA-N 273.424 3.584 30 20 CHED N#Cc1csc(CNc2ccc3ccoc3c2)c1 442990954 JIVUYYMGQWLOOR-UHFFFAOYSA-N 254.314 3.978 30 20 CHED C=CCN(Cc1ccc(C)o1)Cc1ccccc1F 352655172 PPMUKKSCCMPKHJ-UHFFFAOYSA-N 259.324 3.915 30 20 CHED CCOC(=O)c1cccc(SCCCCC#N)c1 357100576 CVSPTUFOTLGYLQ-UHFFFAOYSA-N 263.362 3.649 30 20 CHED CCC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccccn1 353605526 CDNXDKOYLWMTTL-INIZCTEOSA-N 295.386 3.593 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C(C)C)cn1 352494594 DDPQEGDQQFTXDQ-UHFFFAOYSA-N 260.381 3.537 30 20 CHED CC(C)(C)[C@H](NCC1(C#N)CC1)c1ccc(F)cc1F 538391387 ZKMZUXMSPVVZIF-CQSZACIVSA-N 278.346 3.945 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)Cc1cccc(Cl)c1 535916895 AXRJFGBYTXBWTP-ZDUSSCGKSA-N 292.810 3.669 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc(C#N)c1 532069833 GPDPLKRNHVVJIS-IAGOWNOFSA-N 284.403 3.528 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CCCc1ccc(Cl)cc1 608825153 XEZFTHJVYPHIIE-HNNXBMFYSA-N 292.810 3.717 30 20 CHED N#C[C@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc(Cl)cc1 530862763 KINXGWPWPOSMCG-KBPBESRZSA-N 288.778 3.601 30 20 CHED N#Cc1nc(N2C3CCCC2CCC3)ccc1Cl 610515932 QUCQQFNCDRZLNA-UHFFFAOYSA-N 261.756 3.518 30 20 CHED C#Cc1cccc(NCc2ncc(C(C)(C)C)o2)c1 267153676 XFOVQKOQUFGPQV-UHFFFAOYSA-N 254.333 3.566 30 20 CHED Cc1cc(C#N)ccc1CN(C)c1ccccc1N(C)C 614403889 XPFNLTXVZDIAJS-UHFFFAOYSA-N 279.387 3.569 30 20 CHED C[C@H]1CC/C(=C\C(=O)N[C@@H](CCC#N)c2ccccc2)C1 269621425 QTPZUJVWTJKKIA-ZBVFGLGXSA-N 282.387 3.894 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(C)cc2)C1 617781752 TWHJWPOKKOWLRO-WMZOPIPTSA-N 285.431 3.988 30 20 CHED Cc1cc2cc(NC(=O)N3CCC[C@](C)(C#N)C3)ccc2[nH]1 612306120 GAQHFVDLERGGCS-QGZVFWFLSA-N 296.374 3.634 30 20 CHED CC(C)c1ccc(C(=O)NCC(C)(C)C#N)cc1Cl 615787561 KGWSTGOAKSGPFV-UHFFFAOYSA-N 278.783 3.743 30 20 CHED CC(C)[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)o2)c2ccccc21 352028208 PKXYFORNVCVDSX-JKSUJKDBSA-N 294.354 3.766 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCc1ccccc1C 452328960 AEQLUIIYJMZYKG-KRWDZBQOSA-N 259.393 3.598 30 20 CHED Cc1cccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1F 611434278 WZCIPEHXCSBUHH-LBPRGKRZSA-N 297.333 3.889 30 20 CHED C=CCC[C@H](N[C@@H]1CCc2nc(C)ncc2C1)c1ccco1 367603295 YWPQVSOXNZZBEV-WBVHZDCISA-N 297.402 3.532 30 20 CHED Cc1sc(CC(=O)Nc2cccc(C#N)c2)nc1C(C)C 269664317 VBGYQRLTCCAONS-UHFFFAOYSA-N 299.399 3.628 30 20 CHED C[C@H](C#N)C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 457126870 PYHIIIFCBHRWLV-OSAQELSMSA-N 290.794 3.642 30 20 CHED CC#CCN(C)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 458391848 IIYDJIKXLSABIZ-JTQLQIEISA-N 299.201 3.719 30 20 CHED CC(C)C(NC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(C)C 618821767 CWCMRRKCHATSRU-INIZCTEOSA-N 299.418 3.525 30 20 CHED Cc1ccc2c(c1)CN(c1c(F)cc(C#N)cc1F)C2 360274883 NHZQDBCUQGGZCI-UHFFFAOYSA-N 270.282 3.665 30 20 CHED C=CCCCC(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 369944585 ISLJFTMNRAPACA-NNUKFRKNSA-N 279.330 3.683 30 20 CHED C=C(C)CCNC(=O)C(C)(C)c1cccc(Cl)c1F 452720939 YITXCSNSNJMZTM-UHFFFAOYSA-N 283.774 3.839 30 20 CHED CC[C@H](C)CCCCC(=O)Nc1cc(CC#N)ccn1 612051687 GUJGLKZZIOVNCJ-ZDUSSCGKSA-N 273.380 3.693 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1 454174072 PESQEENCLLUWSV-AWEZNQCLSA-N 285.391 3.848 30 20 CHED N#C[C@@H]1N(C/C=C\c2ccccc2)CCC[C@]12CCCCO2 619195109 QENPOEDRMNPJMG-WDVNOTDGSA-N 296.414 3.627 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cscc2C)no1 278093265 YTAFRZIGZOEICZ-SNVBAGLBSA-N 264.350 3.760 30 20 CHED C=C(C)[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(F)c(F)c1 278899347 YGMNMSYLBJDHJP-OAHLLOKOSA-N 292.329 3.638 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C)cc2C)C1 617789389 HTHYBWWXAYYZSH-HNNXBMFYSA-N 257.377 3.732 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]2CC[C@H]1O2 450310121 CCARMGZQAPGNOH-IPMKNSEASA-N 298.430 3.584 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(Cl)ccc2c1CCO2 455338263 BQMHNOSCLKSMMK-UHFFFAOYSA-N 294.782 3.609 30 20 CHED C=C(CC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 540347873 MQBVBUVJXSWTHU-UHFFFAOYSA-N 265.700 3.564 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 455431631 VNKZBKXGNUALGC-QWRGUYRKSA-N 298.308 3.727 30 20 CHED Cc1cc(C#N)cc(N2[C@@H](C)C[C@H](CC(F)(F)F)[C@H]2C)n1 450571216 QWDLOGCXRYUSGT-DMDPSCGWSA-N 297.324 3.817 30 20 CHED C=CCSc1ccccc1C(=O)N(C)CC(=C)C 362405842 XSLFBIBEBYPCLM-UHFFFAOYSA-N 261.390 3.613 30 20 CHED CC(C)(C)[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 541345354 IOQOAAJSMIPCQB-OAHLLOKOSA-N 279.387 3.979 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc2c1OCC2 626684321 RQQSXEHIDZUATA-UHFFFAOYSA-N 288.391 3.832 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](CSC)C2)CCCC1 452161553 OQMKXVJIMDCLPX-CQSZACIVSA-N 281.465 3.725 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1N(C)C 453361328 AXCFVAHLKQCUHJ-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)C#N 278959699 IADPFGIGLIDVGZ-UHFFFAOYSA-N 284.281 3.892 30 20 CHED CC(C)CCNC(=O)Nc1ccc(CC#N)cc1Cl 455756712 STAJUDBJKGQLJE-UHFFFAOYSA-N 279.771 3.574 30 20 CHED CCO[C@H]1C[C@H](NCCCCC(C)(C)C#N)C12CCC2 451486088 ZUEQSZLCOIKQKK-GJZGRUSLSA-N 278.440 3.644 30 20 CHED C[C@H](NCC1(c2ccccn2)CCC1)c1cccc(C#N)c1 367003835 PMZKYAQPVGDQAB-HNNXBMFYSA-N 291.398 3.726 30 20 CHED C=CCC[C@H](C)NCCc1nc2ccccc2s1 273386060 JQJRAQJKHCHOQH-LBPRGKRZSA-N 260.406 3.783 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CCOC2(CCC2)C1)c1ccccc1 275073039 VPNKECUDKRWJHG-SJORKVTESA-N 299.414 3.564 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C(=O)C(C)C)cc1 455791498 HJFYOZAOUDVKFU-UHFFFAOYSA-N 274.364 3.613 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccccn1 540572027 OOMLLXDIZKYEIR-GDBMZVCRSA-N 287.407 3.673 30 20 CHED Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OC(C)C)c1 463240952 XXUYZHQQFWAMFI-WBVHZDCISA-N 286.419 3.954 30 20 CHED CC(C)CCN(C(=O)c1ccc(Cl)c(C#N)c1)C1CC1 544405551 RRROLTPDZSFCCH-UHFFFAOYSA-N 290.794 3.862 30 20 CHED CC(C)(NCCOc1ccc(C#N)cc1)c1cccs1 543506348 ZUMGMNOJVDGIOJ-UHFFFAOYSA-N 286.400 3.523 30 20 CHED C=CCC1(NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)CCCCC1 627659355 NAMNVEHCEQZZKV-FGTMMUONSA-N 295.426 3.968 30 20 CHED N#Cc1cc(CN2CC[C@H](c3cccc(F)c3)C2)ccc1F 468268970 USXDFCOVKMRYCO-HNNXBMFYSA-N 298.336 3.826 30 20 CHED C=C(C)CCc1noc([C@@H](c2ccccc2)N(C)CC)n1 289319586 YHNMXVKKTSAYFR-MRXNPFEDSA-N 285.391 3.619 30 20 CHED C#Cc1ccc(CNCc2nc(C(C)C)cs2)cc1 289373641 AQIHJBMWQHCGIJ-UHFFFAOYSA-N 270.401 3.538 30 20 CHED C#CCCCc1nc(-c2cccc(CSC)c2)no1 288859605 FVHYKZBWPUOPIL-UHFFFAOYSA-N 272.373 3.556 30 20 CHED C=C(C)CN1CCC(NCc2ccc3occc3c2)CC1 286742284 YGACLVILHQUQQE-UHFFFAOYSA-N 284.403 3.563 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(OC)c(C)c1 280904584 RINKRNXALLZPNO-ZVZYQTTQSA-N 289.419 3.635 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1cc(C)c(OC)cc1C 286693913 HAIFKUABEGUYOA-GUYCJALGSA-N 289.375 3.856 30 20 CHED C=CCCCCCN[C@H]1CCCC12CCOCC2 375705928 HZTXASQYBQGSLR-HNNXBMFYSA-N 251.414 3.672 30 20 CHED Cc1cccc2c1N(C(=O)[C@@H](C)c1cccc(C#N)c1)CC2 463581797 GABPJECICBOVPB-AWEZNQCLSA-N 290.366 3.560 30 20 CHED CCCn1c(C(=O)N[C@@H](C#N)C(C)(C)C)cc2ccccc21 464712327 PJMZZCWOWTVRHJ-INIZCTEOSA-N 297.402 3.719 30 20 CHED CC(C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 465666603 WBVJRDJEKZVJAP-GDBMZVCRSA-N 299.418 3.697 30 20 CHED C#CCC1(c2nc(-c3ccoc3)no2)CCCCC1 289178634 WEEBBHHMQLEFNY-UHFFFAOYSA-N 256.305 3.555 30 20 CHED CCCc1sc(C(=O)N[C@H](C#N)C(C)(C)C)cc1CC 464713833 TUOQZXLPVWTVDR-CQSZACIVSA-N 292.448 3.931 30 20 CHED CCCC[C@@H](CCC)NC(=O)Cc1c(F)cccc1C#N 552258432 JMDRDWBMSOOIHP-CQSZACIVSA-N 290.382 3.715 30 20 CHED C=CCC[C@H](C(=O)N(CC)C[C@H](C)OC)c1ccccc1 462873768 YTKKZSJSDKFFKB-RDJZCZTQSA-N 289.419 3.620 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(CCCSCC#N)C1 285648324 LPMNRUVMCXEBCO-GOEBONIOSA-N 274.433 3.716 30 20 CHED CC(C)(C)c1ccc(C(C)(C)NCCOCCC#N)cc1 555421059 SUWFEWNJMCUFDF-UHFFFAOYSA-N 288.435 3.739 30 20 CHED C=CCCN(C)C(=O)Nc1nc2cc(F)c(C)cc2s1 280450546 GXJSHHVWTPGVQR-UHFFFAOYSA-N 293.367 3.784 30 20 CHED C=CCCCC(=O)Nc1cccc(NC(=O)CCC)c1 479550092 IMFXMWUTFHYCPQ-UHFFFAOYSA-N 274.364 3.720 30 20 CHED C=CCCc1noc(CCCSC(C)(C)C)n1 297363840 PXQBKXSMMXEMBM-UHFFFAOYSA-N 254.399 3.653 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCC(F)(F)C1 552997453 KXQQKPKNCJDWCM-GXTWGEPZSA-N 273.367 3.921 30 20 CHED CC[C@@H](NC(=O)CCCC#N)c1cccc(Cl)c1 292488518 DWEDVKVAZPAXKH-CYBMUJFWSA-N 264.756 3.601 30 20 CHED C[C@@H](C#N)OCCSCc1cc(-c2ccccc2)no1 802749545 GMGHSWSGUVHZGV-LBPRGKRZSA-N 288.372 3.503 30 20 CHED CC[C@@H]1CN(CCCC(C)(C)C#N)c2ccccc2O1 472237665 GJDWUQZOLQJYQC-CQSZACIVSA-N 272.392 3.994 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cc(C)c(F)cc1Cl 806583349 RUTTZMTVQVOECG-JTQLQIEISA-N 282.746 3.711 30 20 CHED N#Cc1cccc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)c1 298443403 ZEJZNEPSJPIAES-CYBMUJFWSA-N 292.329 3.504 30 20 CHED C=CCOCCCN1CCC[C@]1(CCC)C(F)(F)F 470777838 BSEPWQZWGZJEJF-CYBMUJFWSA-N 279.346 3.776 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCCC#N 292297171 YPGSSTDVGBFLLL-CHWSQXEVSA-N 292.810 3.984 30 20 CHED C=CCCCCCN1CC2(CCOCC2)C[C@H]1C 646096022 APJVQUFAMKQMCK-OAHLLOKOSA-N 251.414 3.624 30 20 CHED CSC1(C=NNc2ncccc2C(F)(F)F)CCC1 800810701 SRSYNEJGBAUUPA-UHFFFAOYSA-N 289.326 3.784 30 20 CHED C=CCn1c(S[C@H](C#N)c2ccccc2)nnc1C1CC1 566496106 AIPBGIAZYMVGNG-CQSZACIVSA-N 296.399 3.698 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@H](CC)CC1 564007132 XZTIKJKZVJWNIE-AWEZNQCLSA-N 276.428 3.604 30 20 CHED c1ccc(NN=C2Cc3[nH]c4ccccc4c3C2)cc1 814684127 FIKDOCNLADHNSV-UHFFFAOYSA-N 261.328 3.735 30 20 CHED C[C@H]1CCC[C@@H](CNC2(c3cccc(C#N)c3)CC2)C1 563967124 XPNXGFNCYDCBMR-GOEBONIOSA-N 268.404 3.963 30 20 CHED Cc1sc2ncnc(NN=C3CC[C@@H](C)C3)c2c1C 814725951 HADJJRWFUOAHLV-MRVPVSSYSA-N 274.393 3.896 30 20 CHED C=CCOc1ccc(CN[C@H]2CS[C@H](C(C)C)C2)cc1 567399554 IQRWFODTIMRNLB-WBVHZDCISA-N 291.460 3.871 30 20 CHED COc1cc(NN=C[C@](C)(OC)C2CC2)ccc1Cl 814919470 MHQRPRKSNBCTRT-AWEZNQCLSA-N 282.771 3.561 30 20 CHED C=CCCCCOC(=O)[C@H](C)Cc1cnc2ccccc2n1 816089100 ICYACZAMTFYMFV-CQSZACIVSA-N 298.386 3.708 30 20 CHED Fc1cccc(NN=Cc2ccc(Cl)o2)c1F 814859388 QGBOIQPWQWLOOR-UHFFFAOYSA-N 256.639 3.657 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CCC1CCCC1 488293017 ZXEVKZCPZHWFJB-RDJZCZTQSA-N 293.451 3.929 30 20 CHED C/C(C=NOCCC1CC1)=C\c1cccc([N+](=O)[O-])c1 814246345 IXNODBWJPHMWJL-VAKNNNDASA-N 274.320 3.801 30 20 CHED CC[C@@H](C)NC(=O)[C@H](Sc1ccc(C#N)cc1)C(C)C 488779045 FHDXJWOFUAQQLA-IUODEOHRSA-N 290.432 3.590 30 20 CHED C=C(C)COC(=O)c1cc(Cl)c(F)cc1Cl 815504283 QQGGKFCPZFALMS-UHFFFAOYSA-N 263.095 3.865 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCN(c2ccccc2F)C1 488747658 ANCITORDPXJSGB-AWEZNQCLSA-N 299.324 3.527 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1cnnc2ccccc12 814849268 OJVZIHSKRWTWBP-UHFFFAOYSA-N 294.333 3.799 30 20 CHED CCc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc1 811695237 BADHJPVGXOICFB-RQZCQDPDSA-N 273.335 3.943 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@H](C3CCCC3)C2)cc1 817414063 BTLWEDBDVQWGAP-YJBOKZPZSA-N 298.430 3.990 30 20 CHED C=CCCCC[C@@H](C)NC[C@@](C)(C(=O)O)c1ccccc1 650804656 IYOYXENFUJECFW-CRAIPNDOSA-N 289.419 3.753 30 20 CHED C=C(C)CCNC(=O)C1(c2ccccc2Cl)CCC1 650069092 NBXWDCOBBHKSCG-UHFFFAOYSA-N 277.795 3.844 30 20 CHED COc1ccc(N=Cc2c(O)cccc2OC)cc1Cl 812391485 HMWYRGDUUUJQHU-UHFFFAOYSA-N 291.734 3.813 30 20 CHED CC#CCCSCc1ccn(-c2ccc(F)cc2F)n1 485920914 CLQJGKUYIJVMPO-UHFFFAOYSA-N 292.354 3.797 30 20 CHED CC(C)OCCON=C1c2cccc(F)c2CC[C@@H]1C 812238855 IDVABKPLBCQUQA-LBPRGKRZSA-N 279.355 3.554 30 20 CHED C=CC[C@H]1CCCN(Cc2cc(C(=O)O)ccc2Cl)C1 656760153 PRDLDEOBEOZVNW-LBPRGKRZSA-N 293.794 3.826 30 20 CHED N#CCCNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 488392802 XWWPETSDEOSQGC-UHFFFAOYSA-N 299.305 3.653 30 20 CHED C=CCCCN1CCc2c(ncn2-c2ccc(C)cc2)C1 488038363 ZUZNBTKEXYLJAN-UHFFFAOYSA-N 281.403 3.505 30 20 CHED C=CC[C@@H](C)NC(=O)CCSc1cccc(Cl)c1 486397722 SIJIKHVSFMVMCQ-LLVKDONJSA-N 283.824 3.903 30 20 CHED C=C(CNC(=O)[C@@H]1CCc2ccccc2C1)c1ccccc1 650033344 UWYSMBOKXUNKLR-LJQANCHMSA-N 291.394 3.621 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)CSc1ccccc1 488880915 VISKXWHOTWIMNM-CABCVRRESA-N 289.444 3.982 30 20 CHED C(=NNc1cnnc2ccccc12)c1ccc2[nH]ccc2c1 811643933 OZVGXCMYWQKYKK-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C=CCC[C@H](N[C@@H](C)Cc1ccccn1)c1ccco1 655834266 NBWVFJKHPPIYIU-HOCLYGCPSA-N 270.376 3.903 30 20 CHED COc1cccc(NN=Cc2cc(Cl)ccc2O)c1 725853253 PJHURIDVIDJJKE-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C=CCCC1(c2nc(-c3ccc(CN(C)C)cc3)no2)CC1 578937335 XMAUWEMKWKVGBG-UHFFFAOYSA-N 297.402 3.796 30 20 CHED CCOCC(C)=NNC(=S)Nc1ccc(C(C)C)cc1 726418042 YICAJXJUVAWMQU-UHFFFAOYSA-N 293.436 3.509 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)N2CCC(CC#N)CC2)C1 570045287 IVLDZOOHCKBMIR-OAHLLOKOSA-N 291.439 3.538 30 20 CHED Cc1cc(NCC[C@]2(C)CC2(Cl)Cl)cc(C#N)n1 829063261 QGXNSXIPKNPADZ-GFCCVEGCSA-N 284.190 3.648 30 20 CHED FC(F)Oc1ccc(C=Nn2cnc3ccccc32)cc1 725849339 FAYSAWGNAPLMSW-UHFFFAOYSA-N 287.269 3.520 30 20 CHED C=CCCNC(=O)N1CC=C(c2ccccc2Cl)CC1 661570948 VACLFFXBIFMGMP-UHFFFAOYSA-N 290.794 3.715 30 20 CHED C=CCCNC(=O)N[C@H](C)c1ccc(SCC)cc1 660568215 LTTIHWRJUUFVEG-GFCCVEGCSA-N 278.421 3.735 30 20 CHED CCCC[C@@H](C)N(C)C(=O)CCc1ccc(C#N)cc1 582393518 JQHGEMRTOHQWAR-CQSZACIVSA-N 272.392 3.528 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCSc1ccccc1 499502036 HLWZNNITQMZSKJ-INIZCTEOSA-N 290.432 3.613 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCCC[C@H]3C)[nH]c12 820083997 HPBFFFWCQQSYOP-MRVWCRGKSA-N 295.386 3.874 30 20 CHED Cc1ccc(C[C@H]2CCCN(CC3(C#N)CC3)C2)cc1 582683134 MKVDUUZWZSPOHC-QGZVFWFLSA-N 268.404 3.553 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@@]1(C)CC1(Cl)Cl 827322893 BKNHHBQKTGIGNB-CYBMUJFWSA-N 283.202 3.574 30 20 CHED C=C(C)[C@H](NCc1conc1CC)c1ccc(F)c(F)c1 660313716 ZXEZWVAKCIFIAY-INIZCTEOSA-N 292.329 3.922 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccccc1F 735614913 HNSMDSCBRGCNLR-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CC(=O)CCCCCOC(=O)c1cc(C#N)ccc1Cl 837721220 DSNZOQYZJVCSOA-UHFFFAOYSA-N 293.750 3.518 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccc3[nH]ccc3c2)no1 904537853 MLRTZHXJHRWTMB-CYBMUJFWSA-N 282.347 3.574 30 20 CHED C=CCCC[C@H](N)c1nc([C@@H]2CCc3ccccc32)no1 904602458 PHVMBEASXWJVFO-CABCVRRESA-N 283.375 3.504 30 20 CHED C=CC[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccncc1 734235356 GUWHIRMVGXKIFT-QGZVFWFLSA-N 298.361 3.587 30 20 CHED C=C[C@](C)(CC)COC(=O)[C@H]1CC12CCSCC2 835337958 YALLLHZMWAMWIS-TZMCWYRMSA-N 268.422 3.665 30 20 CHED C=C(CNC(=O)Nc1cc(C#N)ccc1C)c1ccccc1 588239795 KVAXAQPWAGNDLD-UHFFFAOYSA-N 291.354 3.702 30 20 CHED CC#CC(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 837099580 HKDUATCEBMPLJB-UKRRQHHQSA-N 275.779 3.506 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1F)c1cncc(F)c1 588542778 RINCCJLDKBOSKI-RQOWECAXSA-N 279.673 3.909 30 20 CHED CC(=NNc1nccnc1Cl)[C@H]1CCCC[C@@H]1C 834958267 JQVNBTIQTBGWDA-ONGXEEELSA-N 266.776 3.744 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cncn2C(C)C)cc1 901427549 MOYDLJFESLSKPJ-JXMROGBWSA-N 284.359 3.759 30 20 CHED CCC(CC)NN=Cc1ccc(Br)cc1 734366525 VXESENFHEMFSST-UHFFFAOYSA-N 269.186 3.561 30 20 CHED C(=NNCCCc1ccccc1)c1ccnc2ccccc12 731316873 MSYGVMBGTDXILF-UHFFFAOYSA-N 289.382 3.791 30 20 CHED CCOc1cccc(/C=N\C[C@H]2CCc3ccccc32)c1O 731937672 MNQPERSRSHXBSK-CTFRJJSNSA-N 295.382 3.940 30 20 CHED C=CCN(C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(C)C 918069599 QHHJUBYJRMDQLP-CKEIUWERSA-N 278.440 3.807 30 20 CHED C=CCN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)C(C)C 836697716 NOVCTSSYLPYGGY-HNNXBMFYSA-N 288.391 3.619 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H](C)c2ccc(C#N)cc2)c1 915113187 QFYZBQSIKCXJIZ-UAAGNOOKSA-N 294.354 3.843 30 20 CHED Cc1coc2ccc(NC(=O)N3CCC[C@H](CC#N)C3)cc12 596856069 TZYNLDPPWHEFFN-CYBMUJFWSA-N 297.358 3.899 30 20 CHED N#Cc1ccc(C(=O)OCC2CCC(F)(F)CC2)s1 837559515 CWPVEAZOQRFSJO-UHFFFAOYSA-N 285.315 3.602 30 20 CHED N#C[C@]1(C(=O)O[C@H]2CCc3ccc(F)cc32)CC12CCCC2 839293005 AKPZEUWCDKZXNU-YJBOKZPZSA-N 299.345 3.830 30 20 CHED C=C(C)CNc1ccc(C(=O)N2CCc3ccccc32)cc1 748305925 QLSGRMVPTSRBPI-UHFFFAOYSA-N 292.382 3.878 30 20 CHED C=CCCCC[C@H](C)NCc1nn(C)c2ccccc12 678623223 CMLAFKIQZNOAPK-AWEZNQCLSA-N 271.408 3.798 30 20 CHED CCCCCCCCCC(=O)Nc1cc(C)nn1C 914860240 ZAQKRCWQJOLZLH-UHFFFAOYSA-N 265.401 3.808 30 20 CHED CC(C)c1nc(CN2CCC[C@H](CC#N)C2)c2ccccn12 597177496 NGTANOUTHWEHFU-OAHLLOKOSA-N 296.418 3.583 30 20 CHED CCCCNN=C(C)c1ccc(-c2ccncc2)cc1 745195026 GAZXRTSQUJMNTO-UHFFFAOYSA-N 267.376 3.862 30 20 CHED Cc1ccc(O)c(CN[C@H]2CCCc3cc(C#N)ccc32)c1 841894812 WAVJEIYJJDZICU-SFHVURJKSA-N 292.382 3.740 30 20 CHED Cc1c(Cl)c(C(F)(F)F)nn1Cc1cccc(C#N)c1 590583388 CSYRHBMDBLLHPE-UHFFFAOYSA-N 299.683 3.784 30 20 CHED COc1ccccc1C=NOCCOc1c(C)cccc1C 849852981 PSDZMLAASNVFHA-UHFFFAOYSA-N 299.370 3.742 30 20 CHED CCCCCCCCCN(C)C(=O)NC[C@@H]1CCCOC1 919653873 GPRBXGDSDTWTES-INIZCTEOSA-N 298.471 3.805 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCc1c(F)cccc1F 917556405 ACNMZESXTWPUMP-DJKKODMXSA-N 295.716 3.985 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccnn1CC(C)C 843269393 PNQRLMCPUWYERK-VURMDHGXSA-N 298.386 3.752 30 20 CHED C#Cc1cccc(NC(=O)Cc2coc3cc(F)ccc23)c1 748288975 AOTNVOVSEDDRGC-UHFFFAOYSA-N 293.297 3.734 30 20 CHED CCC1=C(C(=O)OCCC2(C#N)CCCCC2)CCCO1 840487313 GOKFBODGLYRMBE-UHFFFAOYSA-N 291.391 3.868 30 20 CHED CCCCCCCCC(=O)N(C)C[C@H]1CCCCO1 918394201 JEGDIVKVLBRAML-OAHLLOKOSA-N 269.429 3.765 30 20 CHED C#C[C@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccccc1 843638365 LCSNCUIFKLKLQH-MJGOQNOKSA-N 289.378 3.597 30 20 CHED Cc1ccccc1C1(NCc2cccc(C#N)c2F)CC1 592139492 IJRSZVJNTYHPMU-UHFFFAOYSA-N 280.346 3.785 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2csc3ccccc23)nc1 915968262 FTYZZRLTXKXPQH-UHFFFAOYSA-N 298.327 3.651 30 20 CHED C=CCN(C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C)C(C)C 748970795 ZTZKUAVVJUTFDW-KBPBESRZSA-N 266.429 3.807 30 20 CHED CCC(=NNc1ccnc(Br)c1)[C@@H]1C[C@@H]1C 841632133 MPKYXGMRCIGJJB-WCBMZHEXSA-N 282.185 3.678 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cccc(OC2CCCC2)c1 844500884 VLFNGOWXZJVCKM-LBPRGKRZSA-N 290.363 3.636 30 20 CHED C[C@H]1CC[C@@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)C1 598881336 FBRIJPNMQURFCL-DZGCQCFKSA-N 282.387 3.880 30 20 CHED CCCOc1ccc(-c2c(C)noc2C)cc1C#N 592986780 KNSYLHCURFUXTG-UHFFFAOYSA-N 256.305 3.619 30 20 CHED C#CCCOC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744049819 ZMKNNKBSNXCOLJ-QWHCGFSZSA-N 283.154 3.663 30 20 CHED CC(C)c1ccccc1NC(=O)N1CCC[C@H](CC#N)C1 596446135 GXBJGELOMDYJOI-CQSZACIVSA-N 285.391 3.968 30 20 CHED Oc1ccccc1/C=N/Cc1cc2ccccc2o1 915978998 LPKGLUOWYVINCS-LICLKQGHSA-N 251.285 3.758 30 20 CHED C#Cc1ccc(CN2CCSC3(CCC3)CC2)cc1 840954397 IFUIFNBQWCPMJD-UHFFFAOYSA-N 271.429 3.530 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cc2ccccc2o1 748905814 FHANBRLXRNOBSG-UHFFFAOYSA-N 291.306 3.970 30 20 CHED CCCCCC[C@H](C)NN=Cc1c(C)noc1C 743450973 VQLNCFDCEBILLY-NSHDSACASA-N 251.374 3.574 30 20 CHED CC(C)CN(CCOCCC#N)Cc1cccc(Cl)c1 598648418 PYFQTZLZLGYKGE-UHFFFAOYSA-N 294.826 3.728 30 20 CHED Cc1cc(NN=C2CC(c3cccc(Cl)c3)C2)ncn1 753922108 PKUNPXRXOCPXGX-UHFFFAOYSA-N 286.766 3.784 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCCOc1ccccc1 851212496 KQHKWUUAXGMHAR-AWEZNQCLSA-N 289.375 3.717 30 20 CHED COc1cc(F)cc(NN=Cc2ccc([C@H]3C[C@H]3C)o2)c1 759212504 HVPLTZFIAVXLFK-BMIGLBTASA-N 288.322 3.997 30 20 CHED CCCCCCCNC(=O)NCCCC(F)(F)F 858111147 VDGZTCYEQHUFOH-UHFFFAOYSA-N 268.323 3.599 30 20 CHED C#CC[C@@H](NC(=O)Nc1cccc(C)c1)c1ccccc1 756922285 OLEISVBYWIVHDR-QGZVFWFLSA-N 278.355 3.881 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)C1CCOCC1 755890259 RWNFVYNCWWQBOL-UHFFFAOYSA-N 284.306 3.502 30 20 CHED CC[C@@H]1CCCC1=NNc1nc(-c2ccccc2)no1 758375406 SYOWJTKJIBQJQC-LLVKDONJSA-N 270.336 3.715 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)C(=O)Oc1ccc(C#N)cc1 756481527 KSJVONGPJNLLEH-LBPRGKRZSA-N 299.757 3.996 30 20 CHED C#CCCCCNC(=O)N(CC)[C@@H](CC)c1ccccc1 758886088 RAPZRWWIHXXDPT-KRWDZBQOSA-N 286.419 3.973 30 20 CHED C=C[C@H](CC(=O)OCc1ccc(C)cn1)c1ccccc1 758912349 MVYSUVBDWKYOGZ-OAHLLOKOSA-N 281.355 3.793 30 20 CHED N#Cc1ccc(NN=Cc2ccc(F)c(Cl)c2)cc1 755651355 JMJLPSXFUZLCNO-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C=C[C@@H](OC(=O)CCc1c(C)noc1C)c1ccccc1 851453958 VNQRMASDJONNIK-MRXNPFEDSA-N 285.343 3.695 30 20 CHED C#CC[C@H](OC(=O)C1[C@H]2CCCCCC[C@H]12)c1ccccn1 850819122 KFRKGBVNDHNCOH-ZOBUZTSGSA-N 297.398 3.906 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc2[nH]ccc12 926813064 MWYHGJUFDCGVSL-LBPRGKRZSA-N 255.365 3.586 30 20 CHED CSc1ccc(O)c(C(=O)OCCCC(C)(C)C#N)c1 850291221 MWWFRXWUMZZDNL-UHFFFAOYSA-N 293.388 3.601 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccccc1C(F)(F)F 751517194 QFPXQWNVNUURPC-LLVKDONJSA-N 286.297 3.920 30 20 CHED CC(C)Cc1ccc(CCC(=O)N2CCC[C@H](C#N)C2)cc1 928219917 DOJORUAYQCEARB-GOSISDBHSA-N 298.430 3.580 30 20 CHED C#CC[C@H](NC(=O)c1cccc2[nH]ccc12)c1ccccc1 757616635 FJYOTHQZPNXUIK-KRWDZBQOSA-N 288.350 3.662 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CC1(C)CC1 759424361 ATCXLJHWZZMZMD-CYBMUJFWSA-N 294.354 3.558 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1nc(C)c(C)s1 853872001 KVBOCCGBXWWUEI-UHFFFAOYSA-N 267.398 3.626 30 20 CHED C=CCN(CC=C)Cc1csc(-c2ccco2)n1 45914519 DSSCGEFIXCAPOF-UHFFFAOYSA-N 260.362 3.577 30 20 CHED Cc1cc(Cl)cc2c1OC/C(=C/c1cccnc1)C2=O 750909972 QLNOWGGWLQPPPR-SDQBBNPISA-N 285.730 3.702 30 20 CHED COc1ccc(NN=C(C)c2c(F)cccc2F)cc1 750925963 VAXVAWJAVROAGO-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CCO[C@H]1C[C@@H](NCCCCC2(C#N)CCC2)C12CCC2 930628241 MKAYAMAYWOKAHV-CVEARBPZSA-N 290.451 3.788 30 20 CHED FC(F)(F)CON=Cc1ccccc1N1CCCCC1 764845343 UWOZTUQXJNDVIP-UHFFFAOYSA-N 286.297 3.590 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CCCc2sccc21 767340123 ZPFRGCCBFPPZKG-OMJMQIJPSA-N 287.384 3.959 30 20 CHED CC#CCCOC(=O)c1ccc(-c2ccco2)s1 760294284 FNGBUFSHVVGFBY-UHFFFAOYSA-N 260.314 3.578 30 20 CHED CCO[C@H]1CCCC1=NN[C@@H](Cc1ccccc1)C(C)C 766477929 MUNIMKZXSULYLH-ROUUACIJSA-N 288.435 3.788 30 20 CHED CC1CCC(=CC(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 765117303 AUWMCPRZHLTDAT-WUJWULDRSA-N 274.408 3.664 30 20 CHED CC1CC(C#N)(C(=O)OCc2cccc3ccccc23)C1 767424001 XCYPYDRKNWYPPR-UHFFFAOYSA-N 279.339 3.823 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccc(Br)cn1 866567626 SAIHJEXKVQRLOK-MNOVXSKESA-N 283.213 3.534 30 20 CHED CCC1(CC)C(=NNc2cccc(OC)c2)C[C@@H]1OC 762603432 KEPWFEICHCILMT-HNNXBMFYSA-N 276.380 3.688 30 20 CHED Cc1cc(C=NNc2c(C)cccc2F)ccc1C#N 766455447 RMPVUHPRXSVVDX-UHFFFAOYSA-N 267.307 3.760 30 20 CHED C=C[C@@H]1CCCCN1Cc1ncc(-c2ccccc2)[nH]1 1118945002 WLLVMDCHWOVHJO-OAHLLOKOSA-N 267.376 3.617 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)cc1 765826551 RGUDJNDWJZTUSZ-YFHOEESVSA-N 266.296 3.589 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1cccc2ccccc12 769356076 MMVCTOFEGWEDPC-CYBMUJFWSA-N 270.328 3.726 30 20 CHED C[C@H]1CCC(=NNc2nncc3ccccc23)C[C@@H]1C 767357682 ITAFIZODYVDOPH-RYUDHWBXSA-N 268.364 3.854 30 20 CHED C=CCCCC(=O)OCCC(Cl)(Cl)Cl 767560896 LGVNMUJBODWJAA-UHFFFAOYSA-N 259.560 3.646 30 20 CHED Cc1ccc(-c2ncco2)cc1N[C@@H]1CC[C@H](C#N)C1 1116925559 VWIUHAWWJAHYID-GXTWGEPZSA-N 267.332 3.754 30 20 CHED Cc1ccc(CNc2cccc(OCCCC#N)c2)c(O)c1 876822645 DXEOMFVJAVZEAW-UHFFFAOYSA-N 296.370 3.995 30 20 CHED C=CCC[C@@H](CCC)NC[C@@](C)(O)c1ccc(F)cc1F 772986123 ADKKDVQQOKCIFD-RHSMWYFYSA-N 297.389 3.897 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNCCOC(C)C 778547536 IOLGDQHEIKFDKM-AWEZNQCLSA-N 254.418 3.593 30 20 CHED C[C@@H]1CC[C@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 776514803 ALBYRYXTHGGRHA-JMSVASOKSA-N 257.333 3.599 30 20 CHED C[C@@H](C(=O)OCc1ccc(CC#N)cc1)c1ccsc1 776108373 RYWMFLJPQSCWNP-GFCCVEGCSA-N 285.368 3.661 30 20 CHED C#CCCCCC(=O)Nc1sc(CCC)nc1C 777040052 MDIHFZPLNXEQPS-UHFFFAOYSA-N 264.394 3.536 30 20 CHED CC(Cc1cccs1)=NOCCC(F)(F)F 777459715 KWRIPJODFITUSA-UHFFFAOYSA-N 251.273 3.636 30 20 CHED C#CCCCCCC(=O)N1CCCO[C@H](c2ccccc2)C1 779904790 MCJFADWKLCPATC-SFHVURJKSA-N 299.414 3.560 30 20 CHED CCCOc1ccc(CNCCCCC#N)cc1C 873042178 NAVRLHZJLHWXAG-UHFFFAOYSA-N 260.381 3.567 30 20 CHED CC(C)c1ccc(C(=O)OCc2ccc(C#N)cc2F)cn1 772389293 SWBVOYBXGSZZBX-UHFFFAOYSA-N 298.317 3.573 30 20 CHED C#CCCCCCC(=O)N(CC)CCc1cccs1 779831012 UJFYGJQRDPSHHL-UHFFFAOYSA-N 277.433 3.723 30 20 CHED CCC(CC)CNN=Cc1cc(Cl)c(OC)c(OC)c1 774465717 WKYPTJBJEWBBSL-UHFFFAOYSA-N 298.814 3.717 30 20 CHED COc1cccc(/C=N\[C@H]2CC23CCCCC3)c1O 770566953 BZARRRDSHVFCGU-FMNVXAMXSA-N 259.349 3.543 30 20 CHED N#Cc1csc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 771010720 RJLHPDZHUKZBJP-RWMBFGLXSA-N 275.373 3.745 30 20 CHED CCOCCON=C(C)c1ccccc1SCC 774418587 XHXDRQDHBNCLTC-UHFFFAOYSA-N 267.394 3.576 30 20 CHED C#CCCCCC(=O)N(CCC)CC1CCCCC1 773278983 OKNADIXOPRERAB-UHFFFAOYSA-N 263.425 3.999 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2[nH]c3ccccc3c2Cl)C1 1122717598 KNNIYKMDWCZZEV-VHSXEESVSA-N 288.734 3.670 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CC1CC(c2ccccc2)C1 1121160985 LMRFNQIVIVDVEZ-BDVYOWHSSA-N 284.403 3.721 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)c1ccc(C2CCC2)cc1 1123233059 FMIASFSETFYXGV-INIZCTEOSA-N 293.370 3.661 30 20 CHED CSc1ccccc1NC(=O)c1csc(C#N)c1 1124261679 NSXCDTCSZOAVQL-UHFFFAOYSA-N 274.370 3.594 30 20 CHED COc1cc(NN=Cc2ccccc2F)ccc1Cl 788468916 YUQWQIBCBJVUOS-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C=CC[C@H](NC(=O)c1csc(Cl)c1)c1ccncc1 786187854 AFHMKQJCYLWZKI-LBPRGKRZSA-N 292.791 3.844 30 20 CHED O=C1CCC(=NNc2cccc(Cl)c2)c2ccccc2N1 783782694 HSNPHWHOQQWFKO-UHFFFAOYSA-N 299.761 3.889 30 20 CHED COc1cc(NN=C(C)c2ccc(O)cc2)ccc1Cl 788472398 UDAYELVRJVURAA-UHFFFAOYSA-N 290.750 3.890 30 20 CHED COc1ccc(NN=C2CCC[C@H]2c2ccc(F)cc2)nc1 780265934 VHYVXIVGMXRGDS-HNNXBMFYSA-N 299.349 3.965 30 20 CHED CC1=C(C(=O)[C@H](C#N)c2nc3cccc(Cl)c3[nH]2)CCC1 1123248033 PMWWEWFMYDKOBL-NSHDSACASA-N 299.761 3.893 30 20 CHED Cc1ccncc1C(=O)OCc1ccccc1C(C)(C)C#N 785893585 UBAXVYHFYUFRNG-UHFFFAOYSA-N 294.354 3.548 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc(C(C)C)c2)n1 1129379170 ZJEQDYGTFOXJJW-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C[C@H](OC(=O)c1cccnc1C1CC1)c1cccc(C#N)c1 784865306 SGNPBSULFMAJFS-LBPRGKRZSA-N 292.338 3.749 30 20 CHED N#CC1(COC(=O)[C@@H]2CCCc3ccccc32)CCCC1 780531128 WIBMQDMVVIHWMA-MRXNPFEDSA-N 283.371 3.734 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCNc1nc(Cl)c(C#N)s1 787898128 XZGWJTHRXFQORO-ZJUUUORDSA-N 299.827 3.675 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 783850500 YPGGULGXBYUNQF-LBPRGKRZSA-N 273.163 3.960 30 20 CHED COc1ccc(NN=C/C(C)=C\c2ccccc2)nc1 780271453 RYVOAPZVCYCKSL-UKQCQBALSA-N 267.332 3.591 30 20 CHED C=C1CC(c2noc(-c3cccc(C(F)(F)F)n3)n2)C1 896876071 AWYCHAFWEZVZHP-UHFFFAOYSA-N 281.237 3.584 30 20 CHED CC[C@H](C)CCCCC(=O)OCC1(CC#N)CC1 784883042 LOSYSMHLUSDBIL-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED Cn1cc(C=NN[C@@H]2CCCC2(C)C)c(-c2ccccc2)n1 782289276 UEPOBEWXWBKMIM-MRXNPFEDSA-N 296.418 3.589 30 20 CHED C=C(C)[C@@H](CC(=O)OCCCc1ccsc1)OCC 782674563 BFLDVZPVNQEYEB-CQSZACIVSA-N 282.405 3.595 30 20 CHED Cc1cccc(C(=O)OCCCC(C)(C)C#N)c1F 784144288 SSXWILNWNWSGLF-UHFFFAOYSA-N 263.312 3.621 30 20 CHED N#CC1(C(=O)OCc2ccc(Cl)cc2F)CCCCC1 781169364 OEQUFUZCTXZIFP-UHFFFAOYSA-N 295.741 3.996 30 20 CHED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C(C)C 893753280 REIMFRSMQQNZOK-UHFFFAOYSA-N 296.823 3.867 30 20 CHED CC(=NNc1ccc(Br)cc1)[C@]1(C)CCCO1 782188342 WWTARHRZEDAIQM-ZDUSSCGKSA-N 297.196 3.806 30 20 CHED C=C1CCC(C(=O)NCc2ncc(-c3ccccc3)o2)CC1 895690332 GEJBSZVKTHYFRD-UHFFFAOYSA-N 296.370 3.704 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2ccccc2O[C@H](C)C#N)o1 780153560 KFWXEXQZNNSTIC-OLZOCXBDSA-N 298.342 3.621 30 20 CHED C=CCC1(C(=O)NCCc2cccnc2C)CCCCC1 890831241 KPNRITMNEKXNQA-UHFFFAOYSA-N 286.419 3.575 30 20 CHED COc1ccc(N(CCCC#N)CCC(C)C)cc1 796503047 GUUPCNPTHCQIIP-UHFFFAOYSA-N 260.381 3.851 30 20 CHED COC(=O)c1cc(NN=C(C)c2occc2C)ccc1C 793098188 PABSEGPBSNVWOG-UHFFFAOYSA-N 286.331 3.519 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1c(C)cc(C)cc1O 793110984 DUQJIKNUAMASPU-ZDUSSCGKSA-N 262.397 3.757 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1cccc(C)c1 899340669 IPVJJLLJDWEOFX-CMDGGOBGSA-N 255.317 3.750 30 20 CHED C#C[C@H](NC(=O)CSc1ccccc1Cl)C(C)(C)C 702251638 ZFFLUKIDNVJWLT-ZDUSSCGKSA-N 295.835 3.596 30 20 CHED COc1cccc(O)c1/C=N/CCc1ccc2[nH]ccc2c1 799742708 GSINCKPMAKYVKS-XDHOZWIPSA-N 294.354 3.544 30 20 CHED CCC(C)(C)C1CCC(=NN(C)CCOC)CC1 794973565 VOLFHLWGLJDTIK-UHFFFAOYSA-N 254.418 3.547 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(N3CCCCC3)c2)C1 799721631 OWFDZJSLMUQLIF-ZBFHGGJFSA-N 269.392 3.781 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(-n3cccn3)c2)oc1C 799896449 IIVMLEPZDICNPF-BQYQJAHWSA-N 292.338 3.978 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)C2(C#N)CCCCC2)CC1 188829644 DANKCZRTWVPZAY-UONOGXRCSA-N 262.397 3.545 30 20 CHED CC[C@H](C)N(Cc1ccccc1)Cc1ccc(C#N)cn1 578140240 CZZLWOQTWOZECG-HNNXBMFYSA-N 279.387 3.754 30 20 CHED O=C(O)c1ccc(NN=CCc2cccc(Cl)c2)cc1 794856581 JXKIKABEFIQHSU-UHFFFAOYSA-N 288.734 3.679 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C[C@@]1(C)CCCS1 793053756 PJYBGCONOBJORS-CYBMUJFWSA-N 298.843 3.937 30 20 CHED Cc1cc(C#N)cc(=NCc2cc3ccccc3s2)[nH]1 587495257 OGXLAGOMYVYFIA-UHFFFAOYSA-N 279.368 3.510 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1CCOC[C@@H]1C 797079603 PUBOTHQFPPDBQK-JYJNAYRXSA-N 253.430 3.774 30 20 CHED FC(F)C1CCC(=NOCCC(F)(F)F)CC1 799485465 TURAMAFFUAXDIN-UHFFFAOYSA-N 259.218 3.767 30 20 CHED N#Cc1ccccc1COC(=O)CCc1cccc(Cl)c1 792766326 VBTWHCVRWHBKQB-UHFFFAOYSA-N 299.757 3.888 30 20 CHED CSCCON=C(C)c1ccc2ccccc2c1 794575212 ZRXXHZCDSFYGEG-UHFFFAOYSA-N 259.374 3.943 30 20 CHED CCCCCCCCNC(=O)N1CCC=C(C)C1 798071672 LCLCFRJUZMNHNQ-UHFFFAOYSA-N 252.402 3.709 30 20 CHED CCC[C@H](CC)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1144858103 RZBVZRPQEHZLQB-NSHDSACASA-N 284.363 3.508 30 20 CHED C=CCCOC(=O)Cc1cccc2ccc(OC)cc12 754304779 JRYTUNPGGPREAR-UHFFFAOYSA-N 270.328 3.510 30 20 CHED C#CCC(C)(C)C(=O)NCCCCCCC(C)C 767048137 RQLQUAWXHNBDEG-UHFFFAOYSA-N 251.414 3.759 30 20 CHED C[C@]1(CN2CCC[C@@](C)(C#N)C2)C[C@@H]1c1ccccc1 1308635853 VOWHOCKVHJTTQV-FGTMMUONSA-N 268.404 3.806 30 20 CHED N#Cc1cnc(N[C@H]2CC[C@@H](Cc3ccccc3)C2)c(F)c1 1307098351 JSGVRCMPOKNBNV-HOCLYGCPSA-N 295.361 3.916 30 20 CHED Cc1nc(Cl)cc(NN=CCCc2ccc(F)cc2)n1 1327190638 KKJYAECMCLLUAC-UHFFFAOYSA-N 292.745 3.608 30 20 CHED N#CC[C@@H](Cc1nnc(C2CCC2)o1)c1ccccc1 1326106494 MIKJYTPJQRLFQK-AWEZNQCLSA-N 267.332 3.577 30 20 CHED CCN(Cc1ccc(N(C)CCC#N)cc1)C(C)(C)C 1324660903 BPBLFRLKELJZPN-UHFFFAOYSA-N 273.424 3.657 30 20 CHED CC[C@H](c1ccccc1)c1nnc([C@](C)(C#N)CC)o1 1327042858 SKBUGWQLCYTXJF-CJNGLKHVSA-N 269.348 3.803 30 20 CHED N#CCc1cccc(NCC2(Sc3ccccc3)CC2)n1 1321328653 IQQQDPPSQFGXCC-UHFFFAOYSA-N 295.411 3.884 30 20 CHED Cc1ccc(SCc2nnc(C#CC(C)C)o2)cc1 1326972633 PUCBBQCWGZZSQH-UHFFFAOYSA-N 272.373 3.678 30 20 CHED N#Cc1ccc(Nc2ccc3nc(O)[nH]c3c2)c(Cl)c1 1772616623 BZXKWTWZOMZUEU-UHFFFAOYSA-N 284.706 3.537 30 20 CHED C=C(C)CCC(=O)Nc1n[nH]c(C)c1-c1cccc(OC)c1 1339107753 SLKWXAPEJRKQEJ-UHFFFAOYSA-N 299.374 3.689 30 20 CHED C=CCCc1ccccc1NC(=O)NCCCC(F)F 1336173164 DACSJOFSBGZOHF-UHFFFAOYSA-N 282.334 3.972 30 20 CHED C#CCN(C(=O)Nc1cccc(CSCC)c1)C(C)C 1332970373 XPJJUFHEYIYJSI-UHFFFAOYSA-N 290.432 3.815 30 20 CHED C=C(C)CCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 1338848253 SEBBTQXAZHTQTD-ZDUSSCGKSA-N 296.292 3.743 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ncc(Cl)cc1Cl 1347050887 SSOFZMLQRCZIJR-JTQLQIEISA-N 285.174 3.569 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 1342111234 OGERAUMEOBJOFV-RHSMWYFYSA-N 297.402 3.759 30 20 CHED C=C1CCN(C(=O)c2cc3c(C)cc(C)nc3s2)CC1 1263727160 FYDOXJYZPSJTFN-UHFFFAOYSA-N 286.400 3.705 30 20 CHED C=CCC1(c2nnc(-c3ccccn3)o2)CCCC1 1261571271 UGFOPWJRKOPHTK-UHFFFAOYSA-N 255.321 3.520 30 20 CHED N#Cc1cc(C(=O)Nc2ccccc2Cl)cs1 1264139866 FYPAAHRFGATPGG-UHFFFAOYSA-N 262.721 3.525 30 20 CHED N#C[C@@H](C(=O)C(C1CCC1)C1CCC1)c1cccc(F)n1 1344042819 BWSJCVMWPPRRGE-CYBMUJFWSA-N 286.350 3.613 30 20 CHED N#Cc1cc(NC(=O)c2cc(Cl)cs2)c(F)cc1F 1288003088 BZVFABPLHPIFKB-UHFFFAOYSA-N 298.701 3.804 30 20 CHED N#Cc1cccc(CN(Cc2cccs2)C2CC2)c1F 219509591 JXBQYVBTYDUAGL-UHFFFAOYSA-N 286.375 3.923 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CC1(C#N)CCCCC1 1514859198 PXARHGKLLNKRSW-HNNXBMFYSA-N 274.408 3.808 30 20 CHED C=CCSCCNCc1ccc(OC)c2ccccc12 222057820 MSDVCWOHBWVZNV-UHFFFAOYSA-N 287.428 3.857 30 20 CHED C=C[C@H](C(=O)N1CCC[C@@H]1c1cc(C)no1)c1ccccc1 1527451903 QMQQXOHIKSNDBE-JKSUJKDBSA-N 296.370 3.616 30 20 CHED N#Cc1cc(=Nc2ccc(COC3CCCC3)cc2)cc[nH]1 1458204372 RCGQKTMFAWGQLF-UHFFFAOYSA-N 293.370 3.578 30 20 CHED N#Cc1nccc(N2Cc3ccccc3-c3ccccc3C2)n1 1458151423 JGKLJOGZTMOHLS-UHFFFAOYSA-N 298.349 3.535 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(C#N)cc1F 1457368160 GODZNMMVKXHZLT-XHDPSFHLSA-N 288.366 3.642 30 20 CHED N#CCc1cccc(NC(=O)c2ccc3cccnc3c2)c1 1525933841 LTOASBGZNGTLCY-UHFFFAOYSA-N 287.322 3.553 30 20 CHED Cc1c(NC2CCC(C)(C#N)CC2)cccc1C(=O)O 1610426157 RVJSNCYCWXHICZ-UHFFFAOYSA-N 272.348 3.578 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNc1ccc(C#N)cn1 1472806195 LOKWSPUYVYIKQB-CABCVRRESA-N 257.381 3.972 30 20 CHED Cc1nc(C#N)cc(N(C)Cc2csc3ccccc23)n1 1472657872 JCUAEVJBFXIJAN-UHFFFAOYSA-N 294.383 3.508 30 20 CHED CCc1ccc([C@@H](C)C(=O)Nc2cc(C#N)cc(C)n2)cc1 1544534807 MZWPUAZGZXDNDJ-CYBMUJFWSA-N 293.370 3.566 30 20 CHED N#CCc1cccc(NCc2nccn2-c2ccccc2)c1 1474149534 OTSGCDBVYMOKQA-UHFFFAOYSA-N 288.354 3.550 30 20 CHED CSc1ccccc1C(=O)/C=C\c1ccc(C(=O)O)o1 1610387538 URXBOEUNKVRPIZ-VURMDHGXSA-N 288.324 3.596 30 20 CHED C[C@H]1CCC[C@H](CNc2nc(C#N)c(Cl)s2)C1 1611863652 LDVBPILVNFJVPU-IUCAKERBSA-N 269.801 3.906 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccs2)cc1[N+](=O)[O-] 5129800 BFIZRFMCEJSTDB-VOTSOKGWSA-N 273.313 3.861 30 20 CHED FCCCN1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 1559840740 PBDNPUQNKBORRT-SFYZADRCSA-N 281.215 3.551 30 20 CHED CC1CCC(CNc2c(C#N)cccc2C#N)CC1 1559081773 LKENUPYWRICBHM-UHFFFAOYSA-N 253.349 3.668 30 20 CHED COCCc1ccc(Oc2nc(C#N)c(Cl)s2)cc1 1559048651 RNHIIKGNCKFBLW-UHFFFAOYSA-N 294.763 3.649 30 20 CHED C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)[C@@H](C)[C@@H]1C 1559922799 OCCYCMLBSYBNMH-UTUOFQBUSA-N 262.784 3.688 30 20 CHED N#Cc1c(F)cccc1NCCC1Cc2ccccc2C1 1639781542 SYQPORNAWXFJRE-UHFFFAOYSA-N 280.346 3.914 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)cc1OCCC 119647904 ZZCOEDYOHRSHJT-UHFFFAOYSA-N 273.376 3.916 30 20 CHED CC[C@H](Sc1cc(C#N)cnn1)c1ccccc1 1639614414 KHXYJKRRONUSEE-ZDUSSCGKSA-N 255.346 3.592 30 20 CHED N#Cc1cc(CN2CCC3(CCCC3)CC2)ccc1F 229750868 DYZPFINEQUSPNH-UHFFFAOYSA-N 272.367 3.854 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2Cc2cccc(C#N)n2)c1 1657328896 ZGIZVENSPRYMAN-LJQANCHMSA-N 291.398 3.907 30 20 CHED CC(C)(C)C[C@H]1CCN(c2nc(C#N)c(Cl)s2)C1 1651153628 JANGUULNYHQCJO-SECBINFHSA-N 283.828 3.931 30 20 CHED Cc1cccc(N(C)C(=O)Nc2cccc(C#N)c2C)c1 1659837587 ITWSWVPOBOIBNH-UHFFFAOYSA-N 279.343 3.843 30 20 CHED CCc1cccc2cc(CN(CC)C[C@H](C)C#N)oc12 1659132508 MNYNXEUAZTVZOF-CYBMUJFWSA-N 270.376 3.977 30 20 CHED C=C(C)c1cccc(NCc2cc(C(=O)O)co2)c1 1588605894 QOIWGYWGWCWSMU-UHFFFAOYSA-N 257.289 3.623 30 20 CHED Cc1cccc2cc(C(=O)Nc3cccc(C#N)n3)sc12 1584681958 SJVANZZHSADJKB-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C[C@H](C(=O)O)N1CC2(CCCCC2)[C@H]1c1ccccc1 1588664496 QRCDJRAKHRILFJ-HZPDHXFCSA-N 285.387 3.633 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(F)c(C#N)c1 1668716126 ICZSWIAVEALTGH-SNVBAGLBSA-N 277.343 3.644 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(C)cc(C#N)c2)C1 1678413542 YSTGGLPBTISWEM-ZIAGYGMSSA-N 285.391 3.909 30 20 CHED C=C(C)CCCC(=O)Nc1ccc2c(C(=O)O)c[nH]c2c1 1776138311 IPDQNISLEJJZMJ-UHFFFAOYSA-N 286.331 3.551 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc2oc(C(=O)O)cc2c1 1777476686 SRPANXDXTJOBNX-DUXPYHPUSA-N 296.278 3.929 30 20 CHED Oc1ccccc1/C=N/CC1(c2ccccc2)CCC1 11121436 KDUAUWSJHOZRNG-CPNJWEJPSA-N 265.356 3.933 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C)ccc1Br 163999880 FVGHQCINGQLQCT-CYBMUJFWSA-N 295.180 3.636 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1ccccc1OC)C2=O 8321500 LMMACOCIGZEGJV-PTNGSMBKSA-N 294.350 3.916 30 20 CHED C[C@@H]1CC[C@H](CC(=O)[C@@H](C#N)c2nc3ccccc3n2C)C1 151528576 LFMBOEIEFIUMOQ-HZSPNIEDSA-N 295.386 3.576 30 20 CHED C=CCCSCC(=O)Nc1ccccc1Cl 151962804 VTJDMZPQQOIQSW-UHFFFAOYSA-N 255.770 3.588 30 20 CHED C=CC1CCN(C(=O)[C@H](Cc2ccccc2)C(C)C)CC1 151972793 QSQJVEJQDGIMRC-GOSISDBHSA-N 285.431 3.926 30 20 CHED C=CCCS[C@H](C)C(=O)N[C@H](C)c1ccccc1OC 151983631 MFBQCUILNBSREV-CHWSQXEVSA-N 293.432 3.570 30 20 CHED CCN(C(=O)c1cc(C)c(C)s1)c1ccc(C#N)cc1 152008782 KYCRMQFPQORVDF-UHFFFAOYSA-N 284.384 3.903 30 20 CHED CC[C@H](C#N)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 157984627 QFUYKQNENYVSAO-ZWNOBZJWSA-N 298.308 3.617 30 20 CHED C=CCNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 154694244 MMQLLTVQXVSROH-SNVBAGLBSA-N 271.282 3.501 30 20 CHED N#Cc1ccc(CNc2cccc3cccnc23)cc1 19903697 KBEZQOSKPYBQSM-UHFFFAOYSA-N 259.312 3.719 30 20 CHED CC[C@@H]1C[C@H]1Nc1ccc(C#N)c(Br)c1 233913776 UPFTXVJQEJBERG-PRHODGIISA-N 265.154 3.531 30 20 CHED C=C(Cl)CN(Cc1cccs1)CC(F)(F)F 839532775 VUTUSPIZFVTAJQ-UHFFFAOYSA-N 269.719 3.865 30 20 CHED C=C(C)CCN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C 834883925 VDODUDXCAOXWGG-CABCVRRESA-N 296.455 3.578 30 20 CHED CCSc1cccc(NC(=O)N2CCC[C@@H](C#N)C2)c1 1119814035 NAXKJUJJMBUIOH-LBPRGKRZSA-N 289.404 3.566 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)cc2F)cc1 157298454 BSUUHVORTSBGSE-UHFFFAOYSA-N 274.726 3.641 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccc(OCC#N)cc1 32701378 JRMGWSIQQRLXTE-CYBMUJFWSA-N 274.364 3.744 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1ccco1 35012617 FYOSWVGMTAAYIJ-CYBMUJFWSA-N 257.333 3.695 30 20 CHED N#CCOc1cccc(NCc2ccc(Cl)cc2)c1 37069475 XWUQQQCUBOOEEO-UHFFFAOYSA-N 272.735 3.854 30 20 CHED COCc1ccccc1N[C@@H](C)c1cccc(C#N)c1 37275104 SWSPVSAOQCPIAX-ZDUSSCGKSA-N 266.344 3.878 30 20 CHED C=CCCCCNCc1sccc1Br 308483500 NJGMNIZCLRMKSF-UHFFFAOYSA-N 274.227 3.957 30 20 CHED C[C@H](CC(=O)NC1(C#N)CCCCC1)CC(C)(C)C 40215365 IMBQXVMITRFMEV-CYBMUJFWSA-N 264.413 3.791 30 20 CHED Cc1ccc(C#N)c(Oc2ccc3c(c2)CCC3)n1 43400355 MKOYWWGCWFKKMS-UHFFFAOYSA-N 250.301 3.543 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 179779193 ONCHPPRIOBWGLP-SNVBAGLBSA-N 296.754 3.723 30 20 CHED CSCC1CCC(NCc2ccc(C#N)cc2)CC1 296471108 PNUBCBSSXANFRH-UHFFFAOYSA-N 274.433 3.570 30 20 CHED Cc1cc(C)cc([C@H](C)Nc2ccc(C#N)nc2)c1 301509456 KCYYISWAURUBJK-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED CCCC1(C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 348514066 ZMWLOBIWLQXKDY-UHFFFAOYSA-N 262.740 3.730 30 20 CHED CC(C)(CC(=O)N1CCC(CCC#N)CC1)C(F)(F)F 565020154 JMHFBNGMSDNYRX-UHFFFAOYSA-N 290.329 3.507 30 20 CHED COC1CCC(Nc2cccc(Cl)c2C#N)CC1 413413751 GPVODXKIHCEQMZ-UHFFFAOYSA-N 264.756 3.581 30 20 CHED C=C(C)CN(CCOCC(F)(F)F)Cc1ccccc1 470916594 JZFGSCDDCIVXTA-UHFFFAOYSA-N 287.325 3.644 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(OC)cc1F 385154642 KROKJSKDXHDPHJ-LLVKDONJSA-N 251.345 3.697 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 393793000 MYUOHXLKYSQIJD-GXTWGEPZSA-N 262.353 3.909 30 20 CHED C#Cc1cccc(NCc2ccc(OC)cc2Cl)c1 753122777 XFYTZGLXUUHVGY-UHFFFAOYSA-N 271.747 3.942 30 20 CHED N#C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 106420314 IEZSJPLWCKTRRH-HKUPYCBJSA-N 296.757 3.734 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C#N)c(Cl)c1 104978837 VNWYYZILKBEUSB-UHFFFAOYSA-N 277.755 3.642 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccccc1[N+](=O)[O-])C2 108145145 FJKWHMIRWYFEFY-UVTDQMKNSA-N 279.295 3.726 30 20 CHED C=C(C)CN(CC)C(=O)c1csc(-c2ccccc2)n1 55206555 CMXZSLWIEUBPHS-UHFFFAOYSA-N 286.400 3.848 30 20 CHED CCOc1ccc(NC(=O)C2(C#N)CCCCC2)cc1F 57397240 NBQXHLOBTPXFNW-UHFFFAOYSA-N 290.338 3.637 30 20 CHED C=CCCCC(=O)NCc1c(OC)ccc2ccccc12 175226356 ISAPGYYYVQCQTL-UHFFFAOYSA-N 283.371 3.821 30 20 CHED N#Cc1ccc(F)c(CSc2ncnc3ccccc23)c1 29827113 JKJWGBPVUVBZCW-UHFFFAOYSA-N 295.342 3.933 30 20 CHED CC(=O)Nc1cccc(NCc2ccc(C#N)cc2F)c1C 26783931 CWZTYUIZYNVYKL-UHFFFAOYSA-N 297.333 3.576 30 20 CHED Cc1cc(C(=O)O[C@H]2CC[C@H](C#N)C2)c(C)n1C(C)C 178783156 NGTUBDTYUBCOKA-KBPBESRZSA-N 274.364 3.535 30 20 CHED N#Cc1ccc(SCC(=O)c2ccc3c(c2)COC3)cc1 68983470 HPRUKHLFMHKRMB-UHFFFAOYSA-N 295.363 3.563 30 20 CHED CCCCCCCC(=O)N1CCc2ccc(OC)cc2C1 113281841 VBJPKRYAXWWMMO-UHFFFAOYSA-N 289.419 3.940 30 20 CHED CC(C)[C@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 171977435 YBSIFBCFFNAALZ-TVQRCGJNSA-N 299.201 3.966 30 20 CHED CCN(C(=O)CCCc1cccs1)c1ccc(C#N)cc1 174073622 ZKIVUYBLVPSCPS-UHFFFAOYSA-N 298.411 3.996 30 20 CHED Cc1ccc(Sc2nccc(C#N)c2[N+](=O)[O-])c(C)c1 301629977 IQCAAKSNOKLIJZ-UHFFFAOYSA-N 285.328 3.630 30 20 CHED CCS[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 176983477 PESQYPJATJOJHO-HZPDHXFCSA-N 274.433 3.712 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)c2cccc(F)c2)c1 172722323 WRWGUNUCLPDYAJ-GFCCVEGCSA-N 267.303 3.549 30 20 CHED N#Cc1cnc2ccccc2c1NCCCOC1CCCC1 301390611 ALKKRCWCCUZGAA-UHFFFAOYSA-N 295.386 3.868 30 20 CHED Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(C#N)c1 67957425 DLNBGZCSQNFRBE-UHFFFAOYSA-N 299.399 3.774 30 20 CHED C=CCCCC(=O)Nc1cc(NC(C)=O)ccc1Cl 177753111 UFDUISGQLXNXHF-UHFFFAOYSA-N 280.755 3.593 30 20 CHED Cc1cnc([C@H](NCc2ccccc2C#N)C2CC2)s1 179093495 IWGIQPVYKBJSSG-OAHLLOKOSA-N 283.400 3.564 30 20 CHED C=C(C)CNCc1csc(-c2ccc(C)cc2)n1 119617034 NYNXBLVZEOQOKH-UHFFFAOYSA-N 258.390 3.784 30 20 CHED CCSCC[C@@H](C)N(C)c1snc(Cl)c1C#N 301748306 SBHJKLWYEAWPMC-MRVPVSSYSA-N 289.857 3.636 30 20 CHED N#CCCCCNc1ccnc2ccc(Cl)cc12 301265680 IBCHOKYWNVUPFY-UHFFFAOYSA-N 259.740 3.994 30 20 CHED CCOc1ccc(C#N)cc1NCc1csc(C2CC2)n1 179453843 GJQJLISOQATWBF-UHFFFAOYSA-N 299.399 3.903 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc2c(c1)CCC2 302467710 SWJJSIWTRLNZHD-UHFFFAOYSA-N 260.296 3.711 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1cccc(F)c1F 121910474 IPMOOHUCSHDOBM-VIFPVBQESA-N 278.327 3.749 30 20 CHED C=CCN(CC=C)C(=O)CC1CC(c2ccccc2)C1 409784521 DBHQIYWJEKXZEP-UHFFFAOYSA-N 269.388 3.771 30 20 CHED C=CCC[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)C1CC1 121584978 OGORVWQDYKVLLC-CQSZACIVSA-N 296.455 3.624 30 20 CHED CCN(CCC#N)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 127613505 ROTSYKKVDKLYFW-UHFFFAOYSA-N 299.330 3.590 30 20 CHED C=C(Cl)CNCc1ccc(Cl)c(Cl)c1 124498791 NMMPDUUYSPQWNU-UHFFFAOYSA-N 250.556 3.836 30 20 CHED C=CCOc1ccccc1C(=O)NCCCCCSC 188242620 WVMMXQQFMYRRTE-UHFFFAOYSA-N 293.432 3.515 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)c(Cl)cc1OC 180449358 ALESPQZMOCTTGL-UHFFFAOYSA-N 288.174 3.650 30 20 CHED CN(CCC#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 77570382 YYGONYZLUPBBRS-UHFFFAOYSA-N 299.201 3.688 30 20 CHED C=CCN(Cc1cc(O)cc(F)c1)Cc1cccc(C#N)c1 186197246 FSTAJQOIVGMPME-UHFFFAOYSA-N 296.345 3.591 30 20 CHED C=C(C)COc1cc(Br)ccc1C(C)=O 154150776 GGLXKRYZMQJVDO-UHFFFAOYSA-N 269.138 3.607 30 20 CHED C=CCCSc1nnc(-c2ccccc2Cl)n1C 128529279 IOQCTVAJBFZRCG-UHFFFAOYSA-N 279.796 3.804 30 20 CHED C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1 489798153 DHEBCFQABMGPJI-NOZJJQNGSA-N 268.282 3.550 30 20 CHED Cc1cc([C@@H](C)NC(=O)Cc2ccc(C#N)cc2)c(C)s1 70158806 OXGVRDUKKUYFOA-GFCCVEGCSA-N 298.411 3.657 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccnc(Cl)c1 72692817 KFEUFSAEYKZBBE-UHFFFAOYSA-N 279.815 3.887 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C(C)=O)cs1 121473024 GKWXMWWBRJRFRW-UHFFFAOYSA-N 292.404 3.543 30 20 CHED Cc1ccccc1[C@H](NC(=O)NC[C@H](C)C#N)C(C)(C)C 182705338 HWKAMWYHQLMARG-DOMZBBRYSA-N 287.407 3.541 30 20 CHED C#CCCCCC(=O)N1CCC(Oc2ccc(C)cc2)CC1 120161287 RJQVZXLIOLWCTK-UHFFFAOYSA-N 299.414 3.558 30 20 CHED CCCc1cc(C(=O)[C@@H](C#N)c2ccccn2)sc1C 72594890 DNLWYOJADXZLLQ-ZDUSSCGKSA-N 284.384 3.894 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccs2)cc1[N+](=O)[O-] 211716047 VLCZNZPEVYUAHN-SREVYHEPSA-N 273.313 3.861 30 20 CHED O=C(CC(F)(F)F)Oc1ccc(F)c(C(F)(F)F)c1 188103592 DJJGZGGUBOJBLH-UHFFFAOYSA-N 290.134 3.702 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(C)cc2)cc1 49893826 HEVFEKIYAYRLIL-SFHVURJKSA-N 292.382 3.894 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cscc1C#N 410559424 CQVNUFMBRNHVCZ-FZMZJTMJSA-N 276.405 3.661 30 20 CHED CN(Cc1cc(F)c(F)c(F)c1)Cc1cc(C#N)cs1 181014355 GHRCTSXWJKKCRA-UHFFFAOYSA-N 296.317 3.669 30 20 CHED C=CCC[C@H](C)NCc1ccc(OC(F)F)cc1 130522173 VMOWYBCQERSPJV-NSHDSACASA-N 255.308 3.732 30 20 CHED C[C@@H](CCCC(F)(F)F)Nc1ncc(C#N)cc1F 413257368 FBYLLCQLIJVYIT-QMMMGPOBSA-N 275.249 3.625 30 20 CHED C=CC1CCN(Cc2c(C3CC3)nc3sccn23)CC1 180207472 UGTOYOWWQCWMEG-UHFFFAOYSA-N 287.432 3.671 30 20 CHED C=CCc1ccc(OC(=O)CCCOC(C)C)c(OC)c1 181605322 KAJBROKCISSNOU-UHFFFAOYSA-N 292.375 3.534 30 20 CHED C=CCn1c(SCc2cc(C)no2)nc2ccccc21 48393339 FCDNDXISVXQRAQ-UHFFFAOYSA-N 285.372 3.811 30 20 CHED C[C@H](N/C(O)=N/CC(C)(C)C1CCCC1)[C@H]1CCCOC1 329534012 YKUGGSBAYKYDRJ-KBPBESRZSA-N 296.455 3.522 30 20 CHED C[C@@H](Cc1ccsc1)NC1CC(C#N)(c2ccccc2)C1 86037570 AJGMSPJANVALEH-NNGSBXSVSA-N 296.439 3.893 30 20 CHED CC(C)N(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 81616193 KXHSFKVSSADLKW-UHFFFAOYSA-N 293.370 3.782 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCC(F)(F)F)c1 456957200 DJYNTWKLLWUQDG-UHFFFAOYSA-N 270.254 3.538 30 20 CHED O/C(=N/[C@H]1CCCC(F)(F)C1)c1cc(O)nc(C2CC2)c1 329995915 NZDYILVRZKNPET-NSHDSACASA-N 296.317 3.547 30 20 CHED CC(C)N(Cc1ccco1)Cc1cccc(C#N)c1F 340933980 APSDNGHSUDHYFA-UHFFFAOYSA-N 272.323 3.701 30 20 CHED C=CCC[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccccc1 133877183 VARKQKZGGXBGHL-IAGOWNOFSA-N 287.403 3.769 30 20 CHED C=C(C)CN(C)Cc1ccc2cc(OC)ccc2c1 510813551 LVFORVPKSIBIDN-UHFFFAOYSA-N 255.361 3.856 30 20 CHED CN(Cc1ccc(F)c(F)c1)Cc1cc(C#N)ccc1F 44438784 ODELMVHZYKHPKO-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](C)Oc1ccccc1Cl 424699059 VCKWBTVGGPWIQJ-LBPRGKRZSA-N 295.810 3.826 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[C@H](C)C1 428955633 WADPIINAZATBIR-MELADBBJSA-N 252.402 3.561 30 20 CHED CCC(C)(CC)C(=O)Nc1ccc(C#N)cc1Cl 613401293 RPIDFUCPYREXEJ-UHFFFAOYSA-N 264.756 3.976 30 20 CHED CSCC[C@H](C)N(C)c1nc(C(C)(C)C)ccc1C#N 613425728 DVZYNMYSQMUKLX-LBPRGKRZSA-N 291.464 3.829 30 20 CHED C[C@H](C#N)CN(C)C(=O)C(C)(C)Cc1cccc(Cl)c1 84753291 ACOSMLMPFRYHIH-GFCCVEGCSA-N 292.810 3.527 30 20 CHED CC(C)Oc1ccc(NC(=O)CCc2ccoc2)cc1C#N 131058800 ONJJTAZCLQAGHX-UHFFFAOYSA-N 298.342 3.510 30 20 CHED N#CCOc1ccc(CN[C@H]2CCCc3ccccc32)cc1 194883727 XEBQCWXWJFHRFL-IBGZPJMESA-N 292.382 3.756 30 20 CHED N#CCCN(CCc1ccccc1Cl)CC1CC1 81044024 VJIDFJXPZBTMSQ-UHFFFAOYSA-N 262.784 3.508 30 20 CHED C=CCSCCN[C@H](C)CCCC(F)(F)F 229560980 HIVJLYKQYIAEPT-SNVBAGLBSA-N 255.349 3.616 30 20 CHED CC1(C)CCN(c2ccc(C#N)c(Br)c2)CC1 228186259 OCBPWJPWLAVFEW-UHFFFAOYSA-N 293.208 3.947 30 20 CHED C=CC[C@H](CC)NC(=O)c1oc2ccc(F)cc2c1C 337083164 BFHCWQJMSFXNEB-LBPRGKRZSA-N 275.323 3.965 30 20 CHED Cc1ncsc1NC(=O)c1ccc(C(C)(C)C#N)cc1 336398709 CXDRCFOXDXWSJE-UHFFFAOYSA-N 285.372 3.505 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCc2ccccc21 424854767 SDBHWURYQJCPDT-HNNXBMFYSA-N 271.404 3.825 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2c(s1)CCCCC2 514688621 RASSOGYFJLPDNS-LLVKDONJSA-N 263.406 3.711 30 20 CHED CN(CCCCc1ccccc1)C(=O)C1(C#N)CCCC1 193703663 CEOKVVVBDKWDKE-UHFFFAOYSA-N 284.403 3.552 30 20 CHED O=C(/C=C/c1ccc(-n2cccn2)cc1)c1sccc1O 193147922 LAAFECBWMVSTJT-QPJJXVBHSA-N 296.351 3.536 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 334667447 BEFLMZKLFLCKJD-CABCVRRESA-N 298.292 3.546 30 20 CHED CC[C@H](C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425115505 UFAJXKSKEPOEPZ-QWHCGFSZSA-N 258.365 3.514 30 20 CHED CCc1ccc(CC)c(NC(=O)N2CCC(C#N)CC2)c1 334606484 BKNGWKOMMIOUHO-UHFFFAOYSA-N 285.391 3.579 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnc(-c2ccco2)s1 336316419 HLZDMAVTIICZGO-LLVKDONJSA-N 288.372 3.584 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCC(C)(C)C#N 512927766 SPJRGRRMHDXWKD-NSHDSACASA-N 293.798 3.592 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(-c2cc[nH]n2)s1 432176806 KDGCILZLKMBBIX-NSHDSACASA-N 289.404 3.613 30 20 CHED C=CCCC(=O)N1CCCc2c([nH]c3c(F)cccc23)C1 335447331 AQYJLJPUZUZTPF-UHFFFAOYSA-N 286.350 3.548 30 20 CHED CC[C@@]1(C)CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 438850726 NBLXXJVTAXJHRU-WMZOPIPTSA-N 299.418 3.863 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccnc1-c1ccccc1 339110332 MJALHFJDWHCYCT-ZDUSSCGKSA-N 281.359 3.835 30 20 CHED C=CCN(Cc1cc2c(F)cccc2[nH]1)CC(F)(F)F 437691306 YLEJCPMPMIOVJN-UHFFFAOYSA-N 286.272 3.857 30 20 CHED C[C@@H](C#N)NC(=O)c1csc(-c2ccc(Cl)cc2)c1 344053967 HEKGDRKZTLAIKD-VIFPVBQESA-N 290.775 3.710 30 20 CHED Cc1ccc(F)c(CN(C)c2ccc(Cl)c(C#N)n2)c1 436424294 YPSADCATVUNHNH-UHFFFAOYSA-N 289.741 3.691 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 249460253 QRWAHBQKSOWVRT-XPKDYRNWSA-N 290.794 3.703 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCO[C@H]2c2ccncc2)n1 340827215 VESWKSNKQVDHAJ-KGLIPLIRSA-N 299.374 3.564 30 20 CHED C=CCC(C)(C)c1noc(COc2ccccc2OC)n1 340786877 ZPFQBMKVOMKSDI-UHFFFAOYSA-N 288.347 3.511 30 20 CHED COc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 346088814 VOLDGWWPCWCULO-GFCCVEGCSA-N 284.334 3.557 30 20 CHED COc1cc(CN(C)Cc2cccc(C)c2C)ccc1C#N 430094284 JPFBRXCBDYWVEW-UHFFFAOYSA-N 294.398 3.816 30 20 CHED CCOc1ccccc1CSc1ccc(C#N)cn1 603504899 GKHNBMASGCCIHK-UHFFFAOYSA-N 270.357 3.644 30 20 CHED COc1cccc(C=Nc2ccc(C)c(OC)c2C)c1O 255671706 LCOMMLCRBXJWRF-UHFFFAOYSA-N 285.343 3.777 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)C1CCC(F)(F)CC1 436303916 CQRIBUSIKHZBJT-YUELXQCFSA-N 287.394 3.771 30 20 CHED N#Cc1cccc(NCCn2ccc3cc(Cl)ccc32)n1 343229324 RRGOKKZYRGYGTG-UHFFFAOYSA-N 296.761 3.673 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 601284018 CPMFVHYYMQJMQN-MWQQHZPXSA-N 254.377 3.605 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2ccc(F)cc2)CCCC1 522644816 MMQTXEYMYHUJRA-ZDUSSCGKSA-N 275.367 3.718 30 20 CHED Cc1cc(OCc2noc(-c3cccs3)n2)ccc1C#N 434649924 FYNFGGQQBIYCQE-UHFFFAOYSA-N 297.339 3.557 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCC1CCCCC1 437493381 FJRRBYGFUUCNDE-AEFFLSMTSA-N 293.451 3.834 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(-c2cccs2)o1 341070760 NREZCFPWILIBKZ-OAHLLOKOSA-N 288.372 3.676 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCSc2ccccc21 346009659 ACFYQIMYJPLAJY-TZMCWYRMSA-N 290.432 3.877 30 20 CHED C=CCCCCCN(C)C(=O)NCCc1cccc(C)c1 606920453 DLEJUIDDBPLGSE-UHFFFAOYSA-N 288.435 3.925 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1C[C@H](C)CC(C)(C)C1 442894849 CJSGAYFZRXOMKB-KGLIPLIRSA-N 256.393 3.987 30 20 CHED Cc1cnccc1CSc1nc2c(cc1C#N)CCCC2 600517684 PWGSFCNPKWPJRF-UHFFFAOYSA-N 295.411 3.828 30 20 CHED C=C(CC)CN[C@H](C)CC(=O)Nc1cccc(Cl)c1 449733687 JICIQFCEGZNWGU-GFCCVEGCSA-N 280.799 3.613 30 20 CHED Cc1ccccc1C=NOCc1cn2ccccc2c1C#N 255223272 IBAFWENPJQZDDF-UHFFFAOYSA-N 289.338 3.670 30 20 CHED CCN(CCCCC#N)c1ccc(Cl)cc1F 440627829 VJKLKWSIKYYPKU-UHFFFAOYSA-N 254.736 3.999 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1nc3c(cc1C#N)CCC3)CC2 609288327 KQEDAUGXTPBNBZ-GOSISDBHSA-N 289.382 3.850 30 20 CHED C=CCN(Cc1nn(-c2ccccc2)c2c1CCC2)C1CC1 357552922 MESACEIHEYGQPJ-UHFFFAOYSA-N 293.414 3.511 30 20 CHED C=CCN(C)Cc1cnc(CCc2ccccc2)s1 449258442 MXGYWRXTSJMKNM-UHFFFAOYSA-N 272.417 3.546 30 20 CHED C[C@H](NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccc(C#N)cc1 448667744 YCCOBWOVDUPRIH-AYMQEEERSA-N 284.403 3.808 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@@H]1CC 448788667 UJCHIJFOWCRHHG-KBPBESRZSA-N 286.375 3.722 30 20 CHED CC(C)(C#N)CCCCSc1cccc(C(N)=O)c1 351710037 MZCSYROALJSJOC-UHFFFAOYSA-N 276.405 3.598 30 20 CHED C=C(CC)CSCC(=O)N[C@H](C)c1ccccc1OC 358639040 XROMJVKPYZTTDW-CYBMUJFWSA-N 293.432 3.572 30 20 CHED CCCCCNc1c(C#N)cnc2c(F)cc(F)cc12 352304529 PIXAMXCRQCPQEI-UHFFFAOYSA-N 275.302 3.987 30 20 CHED C=C(C)CCc1noc(-c2cnc(C(C)C)s2)n1 351641110 MCRMVJOIRWKXGP-UHFFFAOYSA-N 263.366 3.825 30 20 CHED CO[C@@H]1CCOc2c(N[C@@H]3CCC[C@H](C#N)C3)cccc21 619202867 HKDPRAVBQVUGPN-WOSRLPQWSA-N 286.375 3.651 30 20 CHED C=CCC1(CNCc2ccc(C#N)s2)CCCC1 449607539 YEDDGYVKQKESSJ-UHFFFAOYSA-N 260.406 3.846 30 20 CHED C=CCNC(=O)c1ccccc1Oc1cccc(C)c1 442437459 XGJBOGCCAOTEST-UHFFFAOYSA-N 267.328 3.703 30 20 CHED N#C[C@H]1CC[C@H](NCCCOc2ccc3ccccc3c2)C1 442799571 ZBTASJBBHFBRMJ-YJBOKZPZSA-N 294.398 3.891 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1cc2cccc(F)c2o1 352986388 HAWQEXPHXCOCHP-VHSXEESVSA-N 276.311 3.507 30 20 CHED CO[C@H](CNCC(C)(C)CCC#N)c1ccc(Cl)cc1 266157191 MNEVNTNEQKCLOE-OAHLLOKOSA-N 294.826 3.947 30 20 CHED Cc1cc(C#N)ccc1CNC1[C@@H](C)CCC[C@@H]1C 614407514 STFZYRXQINUJSH-STQMWFEESA-N 256.393 3.781 30 20 CHED C[C@H](CCN1CCC[C@](C)(C#N)C1)OCc1ccccc1 616113720 FWSCNZSVWBSMMM-SJLPKXTDSA-N 286.419 3.607 30 20 CHED CCc1cc(C#N)ccc1OCc1ccccc1[N+](=O)[O-] 442098401 QBHMKFFOMXWHIX-UHFFFAOYSA-N 282.299 3.608 30 20 CHED N#C[C@]1(F)CCN(Cc2c(Cl)oc3ccccc23)C1 615652205 YUDNFYWKUBVZNF-CQSZACIVSA-N 278.714 3.524 30 20 CHED C=C(C)[C@@H](CC(=O)NCC(CC)(CC)CC)OCC 535911692 UYPJKNOLIYRPTQ-CQSZACIVSA-N 269.429 3.690 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)Cc1ccc(Cl)cc1Cl 267257623 PNQHSGJDSJWBTH-GFCCVEGCSA-N 299.201 3.590 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(C#N)cc1)C1CC1 264236263 YYJANFAQGLZEJA-CHWSQXEVSA-N 270.376 3.597 30 20 CHED N#C[C@]1(F)CCN(Cc2sc3ccccc3c2Cl)C1 615636149 VHTOZFMOQPFYDN-CQSZACIVSA-N 294.782 3.992 30 20 CHED CC(C)[C@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@@H]1C(C)C 458761776 INVKGYKKZOBSJI-HUUCEWRRSA-N 293.455 3.638 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(/C=C/C)cc1 360315217 CRJHATXDQUGFGP-IYNGYCSASA-N 259.349 3.639 30 20 CHED CC(C)CCCCC(=O)NCC(C)(C)CCC#N 457808638 NYZFSGBLFFACFK-UHFFFAOYSA-N 252.402 3.649 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1cccc(C#N)c1 612469139 AMRBPCMGVYSETK-XJIUQZFPSA-N 299.418 3.743 30 20 CHED C[C@H](CCc1ccccc1F)NCC(C)(C)CC#N 459734706 SONVACVIRAHYGA-CYBMUJFWSA-N 262.372 3.676 30 20 CHED CCCN(C(=O)NCCCC#N)[C@H](CC)c1ccccc1 273549015 MDIREEZYRXNCEC-MRXNPFEDSA-N 287.407 3.863 30 20 CHED CCO[C@@H]1C[C@H](NCCCCC(C)(C)C#N)C12CCC2 451486090 ZUEQSZLCOIKQKK-LSDHHAIUSA-N 278.440 3.644 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc(OC(C)(C)C)cc2)no1 453099030 QETMVOZKAIDVAR-GTNSWQLSSA-N 297.358 3.715 30 20 CHED CC[C@H](NC[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 453319051 NCCUVLFGKHRBLF-AEFFLSMTSA-N 298.430 3.948 30 20 CHED C=CCCO[C@@H](C)c1nc([C@H](C)SCC)no1 273940437 MLBQLQRSERXLJJ-UWVGGRQHSA-N 256.371 3.537 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(F)cc1C#N 610280237 JUPBXIHRNJDLQL-IAGOWNOFSA-N 266.319 3.839 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(F)c(N2CCOC2=O)c1 279654694 FLQFEAMRUQUUNI-NWDGAFQWSA-N 292.354 3.795 30 20 CHED C=C[C@H](CC(=O)N1CC(C2CCCC2)C1)c1ccccc1 366827882 NRWKLJJDTWEKOI-OAHLLOKOSA-N 283.415 3.995 30 20 CHED CN(Cc1ccccc1)[C@@H]1CCN(CC(C)(C)CCC#N)C1 363102774 VGRQDOUPYWVWGR-GOSISDBHSA-N 299.462 3.523 30 20 CHED C=C(CC)CNC(=O)c1ccc(CCC(F)(F)F)cc1 456811198 IFJOEGMGVYYVSM-UHFFFAOYSA-N 285.309 3.878 30 20 CHED C=C(CC)CNC(=O)c1ccc(OC2CCC2)cc1Cl 456810186 FJHKMMMBOJFQAK-UHFFFAOYSA-N 293.794 3.967 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C[C@H](CC#N)c1ccccc1 361840848 YRXBTRNSKMFPCF-YJBOKZPZSA-N 297.402 3.519 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC)CCc1ccccc1 624562193 KGEMICRFTNQYKF-MRXNPFEDSA-N 274.408 3.615 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 361740122 FIOUDDSFFMRYEI-LLVKDONJSA-N 298.361 3.946 30 20 CHED C[C@H]1CC/C(=C/C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 272672664 KPBBAXTWOJQVPU-ABZBSAQLSA-N 284.359 3.662 30 20 CHED CC(C)(C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)c2ccccc21 277815346 IWSHYNFHKRUQQB-CQSZACIVSA-N 293.370 3.676 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCCC[C@H]1C 460563384 VFTPTDSDWMQJJU-CQSZACIVSA-N 276.428 3.576 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)CSc1ccc(F)cc1 466633674 HHWYNXBPVLCWEO-LBPRGKRZSA-N 281.396 3.588 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(C#N)c(F)c1)C(C)C 464653377 PYEXWMCZCHAQLU-NSHDSACASA-N 262.328 3.708 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1cc2ccccc2s1 273259271 FLMBNXDUJIHLIK-CHWSQXEVSA-N 283.400 3.995 30 20 CHED C=C(C)Cn1c(-c2cccnc2)nnc1N(CC)CCCC 460580304 XXONZPQZXRNJLN-UHFFFAOYSA-N 299.422 3.543 30 20 CHED CC[C@@H](NCCCn1nc(C)cc1C)c1ccc(C#N)cc1 278247022 MGOXIMCAHMEFTL-GOSISDBHSA-N 296.418 3.503 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)SCCCC 540530809 BPJYMHHAIJIJEP-STQMWFEESA-N 257.443 3.769 30 20 CHED C=CCC(CC=C)C(=O)N1CCCC[C@@H](SCC)C1 467342173 RZHCBJXFAJQKJW-OAHLLOKOSA-N 281.465 3.889 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)CC(C)(C)C1 468699345 HORSHVCUBHEOPN-UHFFFAOYSA-N 262.422 3.878 30 20 CHED N#CCC1CCN(C(=O)CCc2cc3ccccc3o2)CC1 541049466 NEZMYOLNASLFGI-UHFFFAOYSA-N 296.370 3.518 30 20 CHED C=C(C)[C@H](NCC1(COC)CCC1)c1ccc(F)c(F)c1 463204573 RGTUJDLHZUVITM-INIZCTEOSA-N 295.373 3.988 30 20 CHED CCCN(CC(C)C)C(=O)c1cc(C#N)ccc1Cl 285358511 ZZLOCQLZLGUVRX-UHFFFAOYSA-N 278.783 3.720 30 20 CHED C=CC1CCN(c2ccnc(C(F)(F)F)c2)CC1 553387081 QZRWEVYGWJCAOO-UHFFFAOYSA-N 256.271 3.503 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCc2sc(Cl)cc21 462060868 PHRRLJSKVAQKNH-LLVKDONJSA-N 298.839 3.996 30 20 CHED N#CC1(CCCSc2cccc(O)c2)CCOCC1 281050113 SGFIEKQHGNWESU-UHFFFAOYSA-N 277.389 3.585 30 20 CHED C=CCCCCCCCCNC(=O)Cc1cncs1 286844225 PTNGLYFBYFZXLS-UHFFFAOYSA-N 280.437 3.719 30 20 CHED CC(C)(C)OCc1cccc(CNc2cc(C#N)ccn2)c1 287926834 PFJBZXNPAFYVKE-UHFFFAOYSA-N 295.386 3.880 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1cccc(Cl)c1Cl 464752367 PHXPHEZWAGJBAG-DTWKUNHWSA-N 287.190 3.928 30 20 CHED C[C@@H]1CCN(c2cnccc2C#N)CC12CCCCC2 462697282 CEWKSBMTVOBOCD-CQSZACIVSA-N 269.392 3.750 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 461762482 DXAKVQCRQUVQCT-KBPBESRZSA-N 278.355 3.539 30 20 CHED CN(CCCCC1CCOCC1)Cc1ccc(C#N)cc1 282145918 ZYSAPNVISGCCRV-UHFFFAOYSA-N 286.419 3.587 30 20 CHED C=CCCCCNC(=O)c1cccc(C(F)(F)F)c1 471686032 CYIGEZZDQDVNAX-UHFFFAOYSA-N 271.282 3.792 30 20 CHED CC(C)(CNC(=O)CCCC#N)Cc1cccc(Cl)c1 291887813 JRMDZYRAYKQUOB-UHFFFAOYSA-N 292.810 3.719 30 20 CHED CCC1(C)CN(C(=O)c2sc3ccc(C#N)cc3c2C)C1 552550093 JTUAKYPJINMWKV-UHFFFAOYSA-N 298.411 3.954 30 20 CHED Cc1cc(OC(=O)[C@@H]2CC=CCC2)c(C)c(C)c1C#N 809036076 PYHIBZNJPCWUCC-CQSZACIVSA-N 269.344 3.745 30 20 CHED C=CCCCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 471718423 VNOBFCLKPARMPR-UHFFFAOYSA-N 290.363 3.606 30 20 CHED C[C@H](CCC#N)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 298605476 SRBHQXZNDINMKW-VCTAVGKDSA-N 296.773 3.591 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(Cl)c[nH]2)CCCC1(C)C 470274820 AGGSTVPZTZMPKO-CYBMUJFWSA-N 280.799 3.875 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 297389332 MMWJBVRGNLHRFQ-HUUCEWRRSA-N 288.391 3.667 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1 293758962 YVBSUYMTMAOWRR-JKSUJKDBSA-N 287.403 3.660 30 20 CHED CC(=NNCC1CCCC1)c1c(C)cc(C)cc1O 808006451 WGUCIWGNSWCRNP-UHFFFAOYSA-N 260.381 3.513 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H](C)C1CCCCC1)C(C)(C)C 808314969 OPXVNHSATXTLKS-HIFRSBDPSA-N 278.440 3.645 30 20 CHED CCCc1nc(CSc2cccnc2C#N)cs1 569378134 HWZNNTMWNSWGRK-UHFFFAOYSA-N 275.402 3.655 30 20 CHED CCN(CC#N)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 298026888 DZBSPLKSJDYRMZ-LLVKDONJSA-N 289.766 3.901 30 20 CHED C#CCCCc1nc(-c2cc3cc(C)ccc3o2)no1 809487321 NWLNRKMXRVVNBJ-UHFFFAOYSA-N 266.300 3.747 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1c2ccc(F)cc2O[C@@H]1C 569154532 KGGZUGQIUQBEBK-BDJLRTHQSA-N 289.350 3.532 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1N1CCCC1 644791871 NPAYESGLTYRLSM-UHFFFAOYSA-N 286.419 3.505 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 569638021 MMETZFLYCHGCPO-YJNKXOJESA-N 251.414 3.524 30 20 CHED CCC(CC)(CC)CNC(=O)Cc1c(F)cccc1C#N 560588599 MQFIZPLPBSUBJC-UHFFFAOYSA-N 290.382 3.572 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCCC1CCCC1 476709259 ODYLQTDNXHTROG-UHFFFAOYSA-N 285.391 3.959 30 20 CHED CCC(CC)=NN[C@@H](C)CCc1ccc2c(c1)OCO2 802713502 MRRHQGDZKDVZNY-LBPRGKRZSA-N 276.380 3.502 30 20 CHED COCC1CCC(Nc2ccccc2O[C@@H](C)C#N)CC1 295342627 IBFIWCVSSPSHFL-NFOMZHRRSA-N 288.391 3.595 30 20 CHED C=CCCCC[C@H](C)NC1CCN(CC(C)C)CC1 561620953 LROYSBAPNIBXHD-INIZCTEOSA-N 266.473 3.831 30 20 CHED Cc1sccc1C=NNc1cc(F)c(F)cc1F 814849684 GUARJFZEJVOSFO-UHFFFAOYSA-N 270.279 3.920 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NOC2CCC2)C1 812235005 GXANUNMVSFKYDD-ZDUSSCGKSA-N 258.365 3.973 30 20 CHED C#CCN(C(=O)CCc1ccc(C)s1)C1CCCCC1 812945612 FTUZGFNMDNFWOY-UHFFFAOYSA-N 289.444 3.784 30 20 CHED C[C@H](C=NNC[C@H]1CCSC1)CCc1ccccc1 811659891 APXIINCUZYIPBZ-GOEBONIOSA-N 276.449 3.584 30 20 CHED Cc1nc(N[C@@H](C)c2ccc(N(C)C)cc2)ccc1C#N 813601936 BZMYWABWXHQNDR-LBPRGKRZSA-N 280.375 3.501 30 20 CHED CC(C)CC(CC(C)C)NC[C@H](O)c1ccc(C#N)cc1 819015958 DCHFFFROCDNCMZ-SFHVURJKSA-N 288.435 3.642 30 20 CHED C#Cc1ccccc1Cc1nc(Cc2ccccc2C)no1 810277786 RSVIGMJNDCASCX-UHFFFAOYSA-N 288.350 3.541 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)c1ncc(C#N)cc1C 566028742 BRDCATFNMAXCRC-UHFFFAOYSA-N 299.761 3.500 30 20 CHED C(=NOCC1CC1)c1ncc(-c2ccccc2)s1 814244585 AQAKMONZOSRLQE-UHFFFAOYSA-N 258.346 3.571 30 20 CHED C[C@H]1SCCC1=NNc1ccc(C#N)c(Cl)c1 814901869 XWUGXRDAGNKJDZ-MRVPVSSYSA-N 265.769 3.505 30 20 CHED CCC(=NNc1cccc(F)c1)c1cccc(N)c1 814815436 XUJYFCPGEKUHET-UHFFFAOYSA-N 257.312 3.634 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccccc2C(=O)O)o1 812446212 SFLYTVXMWAJFIH-GWCFXTLKSA-N 284.315 3.547 30 20 CHED C=CCC(F)(F)C(=O)NCc1c(C)oc2ccccc12 816140495 WFNZXDRUQOUFIK-UHFFFAOYSA-N 279.286 3.569 30 20 CHED C[C@H](C#N)CNC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 577813044 FYWMPXCLVLRJSG-CZUORRHYSA-N 299.418 3.549 30 20 CHED CCC(=NOCc1ccccc1OC)c1ccc(F)cn1 814923173 ALTMOSFWVOYPJN-UHFFFAOYSA-N 288.322 3.560 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cccc(C)c2C)cc1 577168274 PDWMDFBKDPABMQ-GOSISDBHSA-N 292.382 3.861 30 20 CHED C#CCON=Cc1ccc(-c2nc3ccccc3s2)o1 812233728 VMWKKGWODVEPOW-UHFFFAOYSA-N 282.324 3.540 30 20 CHED CON(CCC(C)(C)C#N)Cc1ccc(Cl)cc1 812911191 MBMDIRRQYQKGGY-UHFFFAOYSA-N 266.772 3.643 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(Cl)c1C 814692103 XZUUHARDRRGGIO-UHFFFAOYSA-N 259.683 3.798 30 20 CHED NC(=NOCc1cccc2ccccc12)c1ccc(F)cc1 727488272 NNRLGDMYPPDOAL-UHFFFAOYSA-N 294.329 3.816 30 20 CHED C=CCCCCCCCNCc1ccc(F)nc1 810160708 QEXIFTWWUVOKMD-UHFFFAOYSA-N 250.361 3.837 30 20 CHED CO[C@@](C)(C=NNc1nc2ccccc2cc1C)C1CC1 814896314 SLMUGAHMJZZMJC-KRWDZBQOSA-N 283.375 3.756 30 20 CHED N#Cc1ccc(CNCc2ccc3ccccc3c2O)cc1 816535822 AZCKDMKCUYEKDF-UHFFFAOYSA-N 288.350 3.707 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)s1 487335009 PICYXMZHSOXHSI-CQSZACIVSA-N 298.411 3.761 30 20 CHED C#CCON=C(C)c1cc(F)c(Cl)cc1Cl 812233080 MHVPQIGIMLBIMF-UHFFFAOYSA-N 260.095 3.506 30 20 CHED C=CCCCCCS(=O)(=O)c1ccc(CC)cc1 576258017 NITKFNLEHHVFNN-UHFFFAOYSA-N 266.406 3.769 30 20 CHED CCC(CC)NC(=S)Nc1ccc(C#N)c(Cl)c1 726435464 ATHUHWMQYBROJU-UHFFFAOYSA-N 281.812 3.687 30 20 CHED C=CC[C@@H](NC(=O)C1CCC=CCC1)c1ccncc1 820017735 DVMDWLFBGTZRGU-MRXNPFEDSA-N 270.376 3.561 30 20 CHED COc1cc(C[S@@](=O)CCC(C)(C)C#N)ccc1Cl 576964604 SOTDFJQEHLKIGE-IBGZPJMESA-N 299.823 3.537 30 20 CHED C=CCCCC[C@H](C)Nc1cccc2c1COC2=O 824408290 HYSOGYUHKZORPW-LBPRGKRZSA-N 259.349 3.904 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 820635145 IKMBZEHVDHYZTQ-BBRMVZONSA-N 290.382 3.720 30 20 CHED C=CCN(C(=O)c1[nH]c2ccccc2c1Cl)C(C)C 728868374 JFDGDLXEBUSWFU-UHFFFAOYSA-N 276.767 3.858 30 20 CHED C=CCCOC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 729074246 MFNHOIHXBQPPNB-QWHCGFSZSA-N 295.176 3.672 30 20 CHED COc1ccccc1/C(C)=C\C(=O)OCC1(C#N)CCCC1 588411668 FKKYJQASWMMUCW-KAMYIIQDSA-N 299.370 3.726 30 20 CHED C=CCCCCS(=O)(=O)Cc1csc(C(C)C)n1 581871977 MPFSZZUCSQBOON-UHFFFAOYSA-N 287.450 3.538 30 20 CHED C=CCCN(C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 824250354 NMMNOBPKKXKDSE-GJZGRUSLSA-N 296.455 3.530 30 20 CHED C[C@@H]1CCCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 821482192 QMPULOFKPHVIDO-SNVBAGLBSA-N 291.420 3.933 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@H](C2CCC2)C1 666432236 KAYCPNGWUPUGLL-HIFRSBDPSA-N 288.439 3.604 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(F)nc1 588523854 IQWRFOQGYGEGAE-ALCCZGGFSA-N 287.338 3.511 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 821733697 XBCFJFUPCBKGON-GUYCJALGSA-N 286.419 3.776 30 20 CHED C=CCC1(NCc2nc(-c3ccccc3)no2)CCCC1 661851188 NJRHLCXKRAYPIT-UHFFFAOYSA-N 283.375 3.715 30 20 CHED COc1ccc(O)c(/C=N\Cc2coc3ccccc23)c1 733903985 SZOYKWRNEVXYFE-NVMNQCDNSA-N 281.311 3.766 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3ccc(Cl)cn23)o1 737444531 SNTDOKDFKZHHEY-SNAWJCMRSA-N 286.718 3.785 30 20 CHED C=CCCCCCN(C)C(=O)c1coc(-c2cccnc2)n1 669049717 ZBLNXVHKHHTEGH-UHFFFAOYSA-N 299.374 3.555 30 20 CHED N#CC1CCC(CNC(=O)C2(C3CCCCC3)CC2)CC1 907993464 OMPVLZWNGHBELS-UHFFFAOYSA-N 288.435 3.793 30 20 CHED Cc1ccncc1/C=C/C(=O)OCCCCC1(C#N)CCC1 909256779 IPWFVQWRCWNLPK-AATRIKPKSA-N 298.386 3.811 30 20 CHED N#Cc1ccccc1NC(=O)/C=C/c1ccc2[nH]ccc2c1 492323692 VPULBWVIETYJEG-SOFGYWHQSA-N 287.322 3.691 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](CC)c1ccc(F)cc1F 739266533 AZSGMRNTYBTCNC-XHDPSFHLSA-N 298.329 3.940 30 20 CHED C=CCC(C)(C)c1noc(-c2nncc3ccccc23)n1 904081738 AFTHLTXCWJOBTA-UHFFFAOYSA-N 280.331 3.534 30 20 CHED C[C@H](NN=C1CCC(C)(C)C[C@H]1C)C(F)(F)F 834999620 FYVLMOLRDKXJHI-BDAKNGLRSA-N 250.308 3.729 30 20 CHED CC(C)(C=NOCCC(F)(F)F)Oc1ccccc1 834971352 DELFKMCUDYOARO-UHFFFAOYSA-N 275.270 3.799 30 20 CHED Cc1nc(/C=C/C(=O)c2csc(C(C)C)n2)[nH]c1C 901491490 SUBFXOUDYVNBIT-AATRIKPKSA-N 275.377 3.503 30 20 CHED C=CC[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccncc1 734458143 VPGSYVBPGRJHKT-GOSISDBHSA-N 292.382 3.618 30 20 CHED C=CC[C@@H](C(=O)O[C@@H](C)c1csnn1)c1ccccc1 836098793 YNOYNWUJFAXYEI-WCQYABFASA-N 288.372 3.502 30 20 CHED CCC[C@H](CCc1ccccc1)Nc1cc(C#N)ncn1 580688916 XACITBFUBIKHGX-OAHLLOKOSA-N 280.375 3.562 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1cnc2ccccc2c1 838863827 DFFDVXVSGCOXSV-GOSISDBHSA-N 299.370 3.620 30 20 CHED Cc1cccc2oc(C(=O)OCC3(C#N)CCC3)cc12 909553361 JJRLRBNGBXQADS-UHFFFAOYSA-N 269.300 3.592 30 20 CHED CC(C)C[C@H](C)CC(=O)OCc1ccc(OCC#N)cc1 733481561 PCVZQZNHQFDIPK-AWEZNQCLSA-N 289.375 3.704 30 20 CHED C=CCC[C@H](OC(=O)c1coc2c1C(=O)CCC2)C1CC1 835243503 NQSIODNWRFDNOI-AWEZNQCLSA-N 288.343 3.700 30 20 CHED CC[C@@H](NC1CC(C)(C)NC(C)(C)C1)c1cccc(C#N)c1 902728609 XTMVDRLLJAGSPI-QGZVFWFLSA-N 299.462 3.908 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)NC[C@@H](C)C#N 588478030 FUENNIYNOXEFJP-LKJZUNMESA-N 297.185 3.673 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@H](C)c2ccccc21 582809066 FFEKSBJLFXTKBT-DACLVMHWSA-N 271.404 3.806 30 20 CHED CC[C@H](N[C@@H](C)C1(OC)CCC1)c1cccc(C#N)c1 903022743 ANPPHUUIGYZQQY-BBRMVZONSA-N 272.392 3.557 30 20 CHED C#CCCOc1ccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)cc1 832834189 JSYVQLCCQQJMBY-KRWDZBQOSA-N 299.414 3.595 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@@H](F)C1 582119285 PURBQFBZIFYZCO-ZIAGYGMSSA-N 270.392 3.655 30 20 CHED CC(C)ON=Cc1ccc(OCC(F)(F)F)c(F)c1 835003354 SJCHQLYTSOAHIH-UHFFFAOYSA-N 279.233 3.526 30 20 CHED C#CCCCCCC(=O)Nc1scnc1C(C)C 836974840 CWMJXHQQMUNNCP-UHFFFAOYSA-N 264.394 3.789 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNCc2ccccc2F)o1 835010748 GQMAVLVZGNNXTF-FZMZJTMJSA-N 272.323 3.666 30 20 CHED C#CCCOC(=O)C(C)(C)CCCc1ccccc1 733051925 CDWUMSRWVGSPCA-UHFFFAOYSA-N 258.361 3.602 30 20 CHED CCc1c(C(=O)OCC2(C#N)CCC2)oc2ccccc12 835311771 WEGHWYUYGJGYTO-UHFFFAOYSA-N 283.327 3.846 30 20 CHED CC(C)(C)c1cnc(CN2CCC[C@H](CC#N)C2)s1 597175706 DEFKCBSJTFXPRE-GFCCVEGCSA-N 277.437 3.566 30 20 CHED N#CCC1(CSc2ccc(C#N)cc2Cl)CC1 594892388 VSOOVKKAKFAENQ-UHFFFAOYSA-N 262.765 3.998 30 20 CHED CC1(c2ccccc2)CC(NCc2cc(C#N)ccc2F)C1 838966412 DIDGRXQHKLNESS-UHFFFAOYSA-N 294.373 3.907 30 20 CHED N#CC1(CC(=O)N2CCc3c(F)cccc32)CCCCC1 597512060 RZWHVIJLXGJBFT-UHFFFAOYSA-N 286.350 3.579 30 20 CHED C#CCCOc1ccc(CNc2cc(C)cc(C)n2)cc1 746747801 JLCQFCYPZMHBNM-UHFFFAOYSA-N 280.371 3.713 30 20 CHED C=CCCSCCNC(=O)c1scc(C)c1Cl 597967313 UJXRYPWFXMJUPE-UHFFFAOYSA-N 289.853 3.749 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc(F)c(Cl)cc1Cl 594096778 ACFQADSZCBJPOZ-ZETCQYMHSA-N 289.137 3.507 30 20 CHED Clc1cccnc1NN=C1CCc2ccccc2C1 917546494 OMIGFTSWNIYFNU-UHFFFAOYSA-N 271.751 3.692 30 20 CHED N#Cc1cccc(F)c1Cc1nc([C@@H]2CCC[C@@H]3C[C@H]32)no1 594534955 FXCCQJUGBLQDGU-RAIGVLPGSA-N 297.333 3.575 30 20 CHED C[C@H](c1c(F)cccc1F)N1CCC[C@H](CC#N)C1 595611238 ICQMHMLEWSRZEZ-VXGBXAGGSA-N 264.319 3.651 30 20 CHED CC(C)[C@H](CC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597914662 WXKVNFNTPYCBBW-AEFFLSMTSA-N 298.430 3.969 30 20 CHED CC[C@H]1CCCN(c2nc(C#N)c(Cl)s2)CC1 596131533 OJOFUHSTYAXKDP-VIFPVBQESA-N 269.801 3.685 30 20 CHED COc1ccc(OC)c(/C=C/C(=O)c2cccc(F)c2)c1 916134606 RVYOWUJUOKZSDY-SOFGYWHQSA-N 286.302 3.739 30 20 CHED CCO[C@H]1C[C@@H](/N=C\c2cc(Cl)cc(Cl)c2O)C1 840710014 HLHHQIBMZVSCDG-PNPDOSPCSA-N 288.174 3.685 30 20 CHED CC1(C)CCCCC1=NNc1ccc(CC(=O)O)cc1 848415307 LOESPSWKVTUQDX-UHFFFAOYSA-N 274.364 3.682 30 20 CHED CCCCCCCCCN(C)c1cc(C)nc2ncnn12 918736257 UZOYAQPOOASYHN-UHFFFAOYSA-N 289.427 3.620 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccccc1C 916240678 KHGMILHQCKAPIG-UHFFFAOYSA-N 268.316 3.529 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CC12CCCC2)c1nc2ccccc2o1 747477526 BDODTRACXJXYNB-RYUDHWBXSA-N 280.327 3.584 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)/C=C\C1CCCC1 843534471 LNMOASGWFPHNBR-HJWRWDBZSA-N 285.391 3.800 30 20 CHED CC(C)CC(=NNc1ccc(Cl)nn1)c1ccccc1 916287238 COHWAHFJTYPRGE-UHFFFAOYSA-N 288.782 3.992 30 20 CHED CCC#C[C@H](C)N[C@@H](C[C@H]1CCOC1)c1ccccc1 684095310 VYFSIYVCRREAHQ-JZXOWHBKSA-N 271.404 3.546 30 20 CHED CC[C@H](C#N)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 593518332 ZESQADKDLOPAPG-CYBMUJFWSA-N 292.810 3.575 30 20 CHED C=CCC(C)(C)CNC(=S)N[C@@H](C)c1cccs1 840749942 RIFNBPFZWKCEHA-NSHDSACASA-N 282.478 3.876 30 20 CHED CC1CCC(C)(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 593970538 MOZBQOROZRMDBF-XAUUPUKJSA-N 298.430 3.822 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(C#N)s2)cc1Cl 749391018 UCSWYKIGYRHRHV-UHFFFAOYSA-N 290.775 3.858 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(OC)cc2)c1 743538872 REWGRWSRPMRIQP-XFXZXTDPSA-N 282.339 3.990 30 20 CHED CC1(C)C(=NNc2cc(F)c(F)c(F)c2)[C@@H]2CCCO[C@@H]21 747641814 FQHYDJPINCQECC-XPTSAGLGSA-N 298.308 3.707 30 20 CHED COc1cc(NN=C2CCC[C@@H]3C[C@H]23)ccc1Cl 841635723 GXFNNEXVZGZXHL-KOLCDFICSA-N 264.756 3.937 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(-n2cccn2)cc1 925191721 RHUHPJHPPRABLI-CABCVRRESA-N 296.418 3.851 30 20 CHED N#CC1(c2ccc(-c3ccc(Cl)nc3)cc2)CCOCC1 844229391 KTBCEKYJIXJPIX-UHFFFAOYSA-N 298.773 3.974 30 20 CHED C=CC[C@@H](OC(=O)C[C@@H](C)n1ccnc1)c1ccccc1 845520516 ALEFBUZNDRQQAV-GDBMZVCRSA-N 284.359 3.695 30 20 CHED CCn1cc(Cl)cc1C(=O)OCCCC(C)(C)C#N 922971999 RBPDVDQWEAJXIB-UHFFFAOYSA-N 282.771 3.648 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(CCN(C)C)cc1 926078209 UZVDRCAYJJQGDV-AWEZNQCLSA-N 273.424 3.531 30 20 CHED C#CCCCCNC(=O)[C@@H](CCC)CC1CCCC1 758639678 MPGCZAQRUJYBJM-INIZCTEOSA-N 263.425 3.903 30 20 CHED C=CCCC(CC)=NNC(=S)N[C@H]1CCCC[C@@H]1C 750921523 KPJMKXJZRDLXFJ-JSGCOSHPSA-N 281.469 3.761 30 20 CHED C=CC[C@@H](C)N[C@H](c1ccccn1)c1ccccc1OC 925425415 FZUYKEZJKWOEDZ-KDOFPFPSSA-N 282.387 3.734 30 20 CHED C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc2ccccc2c1 852101469 QULKGSWFQIZNBY-IFXJQAMLSA-N 294.398 3.558 30 20 CHED C#CCOc1ccccc1-c1noc(/C=C/CCC)n1 854029350 BAEJMZYXAATOBB-IZZDOVSWSA-N 268.316 3.562 30 20 CHED CC#CCCCC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 681002071 UORLCALYPJRXTB-HNNXBMFYSA-N 295.386 3.625 30 20 CHED C=CC(C)(C)CN[C@H](c1ccccn1)c1ccccc1OC 926523492 ZHPKNPUWBGICGB-SFHVURJKSA-N 296.414 3.981 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 684939220 MTNZXTSMHLIRQI-YDHLFZDLSA-N 275.392 3.807 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CCC(=O)C[C@H]1C 851143503 LVRWAQREWOQEEL-XOUADPBQSA-N 278.392 3.670 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(/C=N\CC2(C3CC3)CC2)c1O 751522761 JDDKRRBNAVTVCS-APSNUPSMSA-N 294.738 3.563 30 20 CHED C[C@H](NN=Cc1cccc(F)c1OC(F)F)C(C)(C)C 853350514 SUKQGVFREYEUTM-VIFPVBQESA-N 288.313 3.785 30 20 CHED COCCCOc1ccccc1N[C@@H](C)CC(C)(C)C#N 926064725 ZRYBSEXRQYYILZ-AWEZNQCLSA-N 290.407 3.842 30 20 CHED CCCCCCCCOCC(=O)N1CC[C@@H](CC)C1 755488725 YRBZPTICFSZDBU-OAHLLOKOSA-N 269.429 3.622 30 20 CHED C1=C[C@H]2C[C@H]1C[C@H]2C=NNc1nccc2sccc12 755650498 IUVAKOTZPKJESF-SRVKXCTJSA-N 269.373 3.906 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ncc(Cl)cn1 857220266 DRPXIVABPAVTMA-PWSUYJOCSA-N 264.760 3.520 30 20 CHED C=CCCC(=O)N(Cc1nc2ccccc2s1)C1CC1 928662824 UZBVQLVHROASKA-UHFFFAOYSA-N 286.400 3.754 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)s1 850362491 JXAHCMVWEUMOCB-KRWDZBQOSA-N 298.411 3.992 30 20 CHED COc1cc(C=NOCC2CCC2)ccc1OC(C)C 753822754 ZSWSYGNUKOXQEM-UHFFFAOYSA-N 277.364 3.633 30 20 CHED Clc1ccc(NN=C2CCC3(CCOCC3)CC2)nc1 853437845 VMTAXZBCPICIGG-UHFFFAOYSA-N 293.798 3.874 30 20 CHED C[C@@H](C=NNc1ccc(C#N)cc1)c1ccc(F)cc1 756879412 JZPJLPHIHYSGAV-LBPRGKRZSA-N 267.307 3.899 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc2cccc(Cl)c2o1 753293715 JZWOGUQEBQWWFQ-NSHDSACASA-N 290.750 3.754 30 20 CHED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 758179156 PXMWRGHRNRASTO-GFCCVEGCSA-N 290.432 3.790 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(F)cc1OC(F)F 933622560 GPZHZGDLEFQPKV-VIFPVBQESA-N 287.281 3.968 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(SC(F)(F)F)o1 867254022 KWLOYWVAPSAAGO-UHFFFAOYSA-N 279.283 3.540 30 20 CHED C=CC[C@H](N[C@H]1CCc2ccc(OC)cc21)c1ccncc1 766023014 ZFQQYXMFPSUYFM-OALUTQOASA-N 294.398 3.985 30 20 CHED C=CCN(C(=O)CCc1ccc(SC)cc1)C1CC1 935224204 JHYWTYIBGIZIQE-UHFFFAOYSA-N 275.417 3.518 30 20 CHED C#CCN(CC)C(=O)c1cc(C(C)C)cc(C(C)C)c1O 764210591 QYBCCCDTMNECEF-UHFFFAOYSA-N 287.403 3.734 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1ncccc1[N+](=O)[O-] 769585420 OHLOZJFEGXIZQW-MNOVXSKESA-N 276.340 3.604 30 20 CHED Cc1cc(C)c(C=NNc2cccc3cnccc23)[nH]1 760249440 VQBJWAJVKJAALO-UHFFFAOYSA-N 264.332 3.626 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(C#N)c(F)c1 769827674 HCLWSNUVPGGAPX-UHFFFAOYSA-N 285.297 3.981 30 20 CHED C[C@@H](C(=O)OC1(C#N)CCC1)c1ccc2ccccc2c1 762092126 MJEFQTFMALDAQY-CYBMUJFWSA-N 279.339 3.933 30 20 CHED C=CCOc1cccc(CN(CC)CCc2ccccn2)c1 769034501 RDBHSMQELSGYRK-UHFFFAOYSA-N 296.414 3.711 30 20 CHED CC(C)(C#N)c1ccccc1CN1CC[C@H](C(F)(F)F)C1 761054903 KRMLLFXOCVBJGS-ZDUSSCGKSA-N 296.336 3.872 30 20 CHED Cc1cc(Cl)ccc1C=NNc1ccnc(F)c1 767385022 DONGHULJWRKEGF-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC(=NNc1ccc(C(=O)O)cn1)[C@H](C)C1CCCCC1 763367769 HBSRQQIDXKHJHJ-NSHDSACASA-N 289.379 3.784 30 20 CHED COc1ccsc1/C=C1\Cc2cc(C)ccc2C1=O 764431859 HMEGZWZAQWUOCX-FMIVXFBMSA-N 270.353 3.888 30 20 CHED C=CCC1(C(=O)NCCCCCCC(C)=O)CCCC1 862077370 IODXUNQSLSFFJV-UHFFFAOYSA-N 279.424 3.779 30 20 CHED CCCc1ncc(C(=O)OCCCCC(C)(C)C#N)s1 768729075 JOKBQHACXBHZLU-UHFFFAOYSA-N 294.420 3.972 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(Cl)nc2)ccc1C#N 766491434 ORQNOIBROPGAFL-ZZXKWVIFSA-N 282.730 3.811 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](F)c2ccccc2)c1 768980407 JEGQKYUHMRLHFO-INIZCTEOSA-N 285.318 3.901 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1Nc1cccc(CC#N)n1 1116636378 MWFMENQTUSTFDU-GXTWGEPZSA-N 257.381 3.774 30 20 CHED C=CCCCC(=O)OCc1ccccc1C(C)(C)C#N 768040360 MWOYXVMJSRLVSC-UHFFFAOYSA-N 271.360 3.887 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(C#N)c(C)c1)C2=O 766489233 CJXKXQRKMXZKIJ-DHDCSXOGSA-N 289.334 3.698 30 20 CHED CC(C)(C(=O)Nc1cc(C#N)ccc1O)C1CCCCC1 767118990 XVROHIPWHDZYGG-UHFFFAOYSA-N 286.375 3.809 30 20 CHED Cc1cc(/C=C2\COc3c(F)cccc3C2=O)ccc1C#N 766490824 MDTVDZVCNNPAJY-RIYZIHGNSA-N 293.297 3.665 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 761454811 IHSKNPFQPGLQRY-QWHCGFSZSA-N 254.370 3.505 30 20 CHED C#CCCCCC(=O)OCc1ccc(C(F)F)cc1 764568767 CSUZVULHTQFMCG-UHFFFAOYSA-N 266.287 3.861 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccn(C2CCCCC2)n1 1116785379 WDRBEHSXVGSMTG-INIZCTEOSA-N 275.396 3.929 30 20 CHED C[C@H](C(=O)OCc1cccc(C#N)c1F)c1ccsc1 774959255 FMQJYSWKXUFSBL-JTQLQIEISA-N 289.331 3.606 30 20 CHED N#C[C@H](OC(=O)Cc1cccc(F)c1F)C1CCCCC1 776392272 NQSCEGCPAMHHJL-AWEZNQCLSA-N 293.313 3.523 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1ncccc1C(F)(F)F 773125728 OMCNILRABFMPMX-ZDUSSCGKSA-N 299.340 3.993 30 20 CHED C#CCCCCC(=O)OCc1ccc(Br)cc1 773631375 VUCJWLIJEORLRO-UHFFFAOYSA-N 295.176 3.686 30 20 CHED C#CCCCCCC(=O)N[C@H](C)[C@H](C)c1ccccc1 779928444 FMQOPJPIVZGWRM-JKSUJKDBSA-N 271.404 3.879 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(-c2ccon2)cc1 886953944 SPMNWDVMFIEIFX-UHFFFAOYSA-N 283.331 3.610 30 20 CHED C=CCCCCNCc1ccccc1OC(F)F 385885296 CLYHRLHUZBHBLV-UHFFFAOYSA-N 255.308 3.734 30 20 CHED CC[C@@H](C)n1nc(Nc2snc(Cl)c2C#N)cc1C 775701422 VJIQFYMBFXKTCO-SSDOTTSWSA-N 295.799 3.888 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C(F)F)n1CC(=C)C 1122549034 RMEZVBNCKGJUFB-GFCCVEGCSA-N 296.365 3.727 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cccc(O)c2)cs1 771743285 AYFGYWKITPZEQN-VOTSOKGWSA-N 273.357 3.868 30 20 CHED C[C@@H](C#N)CNN=C(CC(C)(C)C)c1ccc(F)cc1 771105235 YMMXQHABFHOHHS-LBPRGKRZSA-N 275.371 3.715 30 20 CHED CS[C@H](C/N=C/c1ccccc1O)C(C)(C)C 783682598 XTRFMEIKADJQRB-GULXKOIASA-N 251.395 3.589 30 20 CHED C#CC[C@@H](NCCCc1ccccc1OC)c1ccccc1 780311471 CGWUQLFYEBBXRG-LJQANCHMSA-N 293.410 3.982 30 20 CHED CCc1nc(C)c(NC(=O)[C@@H](CC#N)c2ccccc2)s1 1128610203 JEUSZOHIEQJOGE-ZDUSSCGKSA-N 299.399 3.650 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887702143 ZOMGXTUKLFEIJS-LJQANCHMSA-N 296.414 3.867 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc2cccc(C)c2o1 787091660 GILJJGPMRDDKHX-LBPRGKRZSA-N 257.289 3.590 30 20 CHED CCO[C@@H]1CC(=NN[C@@H]2CCOC(C)(C)C2)C1(CC)CC 780249689 HCCTXWYVZFEBCT-UKRRQHHQSA-N 296.455 3.505 30 20 CHED C=CCCCCCOC(=O)c1ccc(N2CCCC2)nc1 783407012 BFDITFNEAGWGMV-UHFFFAOYSA-N 288.391 3.585 30 20 CHED Cc1ccc(NN=C2CC(c3ccc(Cl)cc3)C2)nn1 783841765 LJVCEPYMBACCEZ-UHFFFAOYSA-N 286.766 3.784 30 20 CHED CCC[C@@H]1C[C@@H](C(=O)O[C@H](C#N)C2CCCCC2)CCO1 780165217 RIDPQMQASBYKGY-ARFHVFGLSA-N 293.407 3.597 30 20 CHED Cc1cc(C(=O)OCc2ccc(C#N)cc2Cl)oc1C 784238493 PRMQHNKQNAMPIW-UHFFFAOYSA-N 289.718 3.779 30 20 CHED COc1ccc(CCCNc2ccc(C#N)cc2)cc1OC 76290579 VBGVIRHIFXNRRO-UHFFFAOYSA-N 296.370 3.620 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)C1CCCCCCC1 782387310 FEBKINKXZKNFQV-QGZVFWFLSA-N 281.440 3.787 30 20 CHED C=C(C)CCNCc1cc(Br)ccc1OC 386841956 XVHVNPCCZGQRGV-UHFFFAOYSA-N 284.197 3.514 30 20 CHED C=CC(C)(C)Cc1nc(C2(CCOC)CCCC2)no1 896623198 OTDJWLJMGJTWOC-UHFFFAOYSA-N 278.396 3.673 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1cnc2ccccc2n1)C(C)(C)C 792099984 KPZBLJNMFVCEQH-KIWPFMIBSA-N 293.370 3.798 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N 1201432236 FXGGCMWTQYNSPG-RISCZKNCSA-N 289.354 3.788 30 20 CHED C=C1CC(c2noc(-c3cc(Cl)ncc3Cl)n2)C1 896877567 NGNYIMDXRYXRGO-UHFFFAOYSA-N 282.130 3.872 30 20 CHED CSc1cccc(F)c1C/N=C/c1cccc(O)c1O 794679431 HDXHWBYPJQMPBO-CAOOACKPSA-N 291.347 3.578 30 20 CHED C=CCC[C@@H](NCCNc1ccccc1)c1ccco1 796791422 AWZGOWRYJSLKDK-MRXNPFEDSA-N 270.376 3.989 30 20 CHED Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1C#N 799319887 SQTIEAKKHSWOEI-CYBMUJFWSA-N 294.354 3.826 30 20 CHED CCCC[C@H](CC)C(=O)NO[C@H](C)c1cccc(C#N)c1 794726042 JXZOIZQCXLCVMJ-HIFRSBDPSA-N 288.391 3.883 30 20 CHED CC(C)(CCC#N)CNc1cnn(C2CCCC2)c1 722370126 FFITXTHFSUJBKY-UHFFFAOYSA-N 260.385 3.740 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(NC)nc1 795465711 BQLOJJAUEIWVJJ-UHFFFAOYSA-N 291.439 3.946 30 20 CHED C=CCCCCN1C[C@@H](C)O[C@H](c2ccsc2)C1 579916216 FQFYKOWMAMAQKJ-HIFRSBDPSA-N 265.422 3.866 30 20 CHED CC(=NNCC1(C)CCCC1)c1c(C)nn(C(C)C)c1C 793082031 SYIOZOZWWGBGRI-UHFFFAOYSA-N 290.455 3.975 30 20 CHED C[C@H](NN=Cc1nc2cc(Cl)ccc2n1C)C(C)(C)C 793112871 XZNPPWLVKZAUBI-JTQLQIEISA-N 292.814 3.585 30 20 CHED CCc1noc(C2CCC(=NOC[C@@H](C)CC)CC2)n1 793164823 ZXFIHVBJMNQVDX-PXYINDEMSA-N 279.384 3.708 30 20 CHED C#CCOc1cccc(NC(=O)[C@H](CC)CCCC)c1 730977527 DUUOIEOVOHMYDL-CQSZACIVSA-N 273.376 3.854 30 20 CHED C[C@]1(C#N)CCCN(CCc2ccc(Cl)cc2)C1 590715571 PRARLLPYTDMNSL-OAHLLOKOSA-N 262.784 3.508 30 20 CHED FC(F)c1ccc(C=Nn2cnc3ccccc32)cc1 794488461 OGSIKHLFGZMFLA-UHFFFAOYSA-N 271.270 3.856 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2cccc(Cl)n2)o1 793175386 SVUVHNCLSNLXGK-ONGXEEELSA-N 275.739 3.897 30 20 CHED CC[C@H](C)CON=C(C)CCc1n[nH]c2ccccc12 793144635 FCJVGBVBIGYORK-LBPRGKRZSA-N 273.380 3.934 30 20 CHED Clc1cccc(Cl)c1CNN=C1CCCOCC1 793117896 SALIZHSHNBNOSM-UHFFFAOYSA-N 287.190 3.640 30 20 CHED C[C@@H]1CCC[C@@H](CN2CCN(c3ccccc3C#N)CC2)C1 1307446321 PNZVMKUFCROPBR-IAGOWNOFSA-N 297.446 3.507 30 20 CHED C#Cc1cccc(N(C(=S)NCC2CCC2)C(C)C)c1 1318289632 HCTFOUGSQRLNCV-UHFFFAOYSA-N 286.444 3.557 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)CC1 1663622370 AWNFXOJPKOXEHT-OAHLLOKOSA-N 256.393 3.879 30 20 CHED N#Cc1ccccc1/C=C/c1nnc(C2CCCC2)o1 1326250083 CQYXKKVJVIWGRJ-MDZDMXLPSA-N 265.316 3.769 30 20 CHED C=CCCc1noc(CSCc2cccs2)n1 1324600825 DTPHTAHVUXOHKS-UHFFFAOYSA-N 266.391 3.683 30 20 CHED Cc1c(C#N)cccc1C(=O)OCCCCOC(C)(C)C 1321750048 BWGBNABZZOEPDB-UHFFFAOYSA-N 289.375 3.619 30 20 CHED CCCCc1ccc(C(=O)OCc2ccc(C#N)cn2)cc1 1321156044 DUJNIPGXSALRFN-UHFFFAOYSA-N 294.354 3.653 30 20 CHED CCN(CC#N)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1321202200 GPGRXUYXTIETLT-UHFFFAOYSA-N 299.201 3.643 30 20 CHED N#Cc1cccc(-c2nnc([C@@H]3CC4CCC3CC4)o2)c1 1330097224 CJZVDKPQAKMMAQ-ABIUDSBCSA-N 279.343 3.902 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2cc(C#N)ccc2F)cc1 1358098971 MUMQENSXUAKCEV-LBPRGKRZSA-N 296.345 3.751 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 1351349363 TTZLJGWDBAREJL-MFKMUULPSA-N 276.767 3.976 30 20 CHED N#Cc1ccc(NC(=O)C2(C3CCCCC3)CC2)cc1 1352714430 KLHSUCQLENNEIV-UHFFFAOYSA-N 268.360 3.857 30 20 CHED C=C(C)CCC(=O)Nc1ncc(Cl)cc1Cl 1515660478 SGZBHDJLVRXJEX-UHFFFAOYSA-N 259.136 3.683 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2=CCC(C)(C)CC2)c1 1451393314 YRABHRBFAIBXFQ-UHFFFAOYSA-N 268.360 3.942 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1ccc(F)c(C)c1 1537239429 YWSGBJVKJHYRAJ-UHFFFAOYSA-N 282.318 3.673 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1461917625 LFNAKYVOZRYQME-LLVKDONJSA-N 296.374 3.589 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@@H]1Nc1cncc(C#N)n1 1612231160 IBCGGARXLFONIY-CRAIPNDOSA-N 292.386 3.720 30 20 CHED N#Cc1ccccc1-c1ccc(CN2C[C@H]3C[C@H]3C2)cc1 1473787418 KVCBVSPKATXKTK-HDICACEKSA-N 274.367 3.677 30 20 CHED C=C(CC)C(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 1548704765 YSVULDPZSFBXKZ-ZDUSSCGKSA-N 296.292 3.854 30 20 CHED C=CCSCC(=O)N(Cc1ccccc1)C(C)(C)C 114757502 UGXPZYZGXGGVBA-UHFFFAOYSA-N 277.433 3.733 30 20 CHED CC(C)[C@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H]1C(C)C 1612378518 SWWVNUXTLAVVIS-IAQYHMDHSA-N 277.799 3.723 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(F)cc(C#N)c1 1624287741 QJOHCAVJMYYYQU-DGCLKSJQSA-N 274.339 3.852 30 20 CHED CCC1(CNCc2ccc(C#N)cc2F)CCCC1 227598900 OGXPWGBQLWGDLX-UHFFFAOYSA-N 260.356 3.757 30 20 CHED N#Cc1ccc(OCc2cccnc2C(F)(F)F)c(F)c1 1559386388 OOGCBUZXQZYJBG-UHFFFAOYSA-N 296.223 3.690 30 20 CHED N#Cc1nc(N[C@H]2CSc3ccccc32)sc1Cl 1559112976 TWGOFRQAXBGXQX-VIFPVBQESA-N 293.804 3.927 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@@H]2CC2CCCCC2)n1 1559086242 RGEHVFLXHKSAST-MRXNPFEDSA-N 298.434 3.850 30 20 CHED CC(C)(C)CN(Cc1cc(C#N)ccn1)CC(C)(C)C 1559717626 SRVOXWOGNQXNDB-UHFFFAOYSA-N 273.424 3.847 30 20 CHED CC(C)(C)[C@@H]1CSCCN1Cc1cccc(C#N)c1 1654630760 XVEYQJSNSWZAGU-HNNXBMFYSA-N 274.433 3.522 30 20 CHED C=C[C@@H](C(=O)O)N1CCCc2cc(-c3ccccc3)ccc21 1588663583 OEDJMIIBUVTPEP-KRWDZBQOSA-N 293.366 3.745 30 20 CHED Cc1cc(N2CC[C@@H](Cc3ccccc3)[C@@H]2C)ncc1C#N 1651603275 VWTOBSSVUUOKCP-RDJZCZTQSA-N 291.398 3.719 30 20 CHED C=CCC[C@@H](NCc1ccc(C2CC2)c(C2CC2)c1)C(=O)O 1776168539 JYKPQTCYSFCCMC-GOSISDBHSA-N 299.414 3.950 30 20 CHED Cc1cc2c(s1)C/C(=C/c1cccc(C(=O)O)c1)C2=O 1777428116 RRYNFGUQGYRDPA-GHXNOFRVSA-N 284.336 3.577 30 20 CHED Cc1cccc(C(=O)/C=C\c2cccc(CC(=O)O)c2)c1 1776127468 UGHGYFIHDQYETJ-HJWRWDBZSA-N 280.323 3.518 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2cc(F)cc(F)c2)c1 1777685034 YCAWLHZCOUSTPR-SNAWJCMRSA-N 288.249 3.559 30 20 CHED C=CCN(CCC)[C@@H](C(=O)O)c1ccc(F)c(Cl)c1 1776179775 CJYKNJLRCVNFAY-CYBMUJFWSA-N 285.746 3.503 30 20 CHED C=CCNc1nnc(SCc2cccc(F)c2)s1 5783170 VAOXKPFMTSBLIS-UHFFFAOYSA-N 281.381 3.567 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 150881085 JRVYYNMEUWQAFR-JKSUJKDBSA-N 261.409 3.840 30 20 CHED C=CCCCCCN(C)Cc1ccc(Cl)nc1 150893673 KMDYBIPOTJIAGL-UHFFFAOYSA-N 252.789 3.913 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)c2cccs2)CC1 152985600 KYAKDDBCCVFJKC-OAHLLOKOSA-N 278.465 3.829 30 20 CHED Cc1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 153473274 CCMVBTXAMJNXLX-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1c(C)noc1C)C2=O 157594949 LIFODCAUNSMLMV-WULZRQGASA-N 267.328 3.983 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(CCC#N)Cc2cccnc2)C1 154016353 ZAQYWGGTMAGLFC-CVEARBPZSA-N 299.418 3.540 30 20 CHED CCSc1ccccc1OC[C@@H](O)c1ccc(C#N)cc1 155285189 CILVCWGNOSUPNM-OAHLLOKOSA-N 299.395 3.783 30 20 CHED N#Cc1cccnc1N[C@@H](C[C@@H]1CCOC1)c1ccccc1 157928205 JTVPRGUWVHMURM-YOEHRIQHSA-N 293.370 3.533 30 20 CHED Cc1c(F)cccc1NC(=O)c1c(F)cc(C#N)cc1F 154366570 MURNDCHROMOHJS-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1cccc2[nH]c(-c3ccc(O[C@H](C)C#N)cc3)nc12 154396464 TUUUBXPCVFKBNV-GFCCVEGCSA-N 277.327 3.829 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C1(C)CC1 159140324 KIEZPTFJZSWRLX-UHFFFAOYSA-N 269.797 3.716 30 20 CHED C[C@@H](NCCc1cccs1)c1ccc(C#N)cc1 19948792 CJYIVDNOPFCULX-GFCCVEGCSA-N 256.374 3.513 30 20 CHED C#Cc1ccc(CN[C@H]2CCc3c(C)cccc32)cc1 809615509 GIGCKXXKAHTJSM-IBGZPJMESA-N 261.368 3.753 30 20 CHED CCCCC1CCC(C(=O)N(CC)CCC#N)CC1 42454196 XUWVZPHYJNTUPM-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2ccc(C#N)cc2)CCO1 270816960 XRJQTHBCRHBBDX-HUUCEWRRSA-N 258.365 3.564 30 20 CHED CCCCCCCCNc1ccnc(C(=O)N(C)C)c1 159387478 HEEGYHRPGCNLJK-UHFFFAOYSA-N 277.412 3.556 30 20 CHED C=C(C)CN(CC)Cc1sccc1Br 513339186 CXIGZGGTDXHNPJ-UHFFFAOYSA-N 274.227 3.909 30 20 CHED N#Cc1ccc(CNc2nccc3sccc23)cc1 37749644 GFUSXHKCIDQVMX-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CCCc1ccc(NC(=O)C2(C#N)CCCC2)cc1 48936874 WQOVBBKRNCSYTB-UHFFFAOYSA-N 256.349 3.662 30 20 CHED Cc1ccc(C#N)cc1NCc1cccc(F)c1F 50430272 ADPJJHIOQNXXPW-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1ccc(N[C@H]2CCSc3c(F)cccc32)cn1 301515098 LNFSVPGNAULWGC-AWEZNQCLSA-N 285.347 3.741 30 20 CHED C=CCCCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 304202134 ARLSQEIHFSCBOK-KRWDZBQOSA-N 277.383 3.537 30 20 CHED N#Cc1ccccc1OCc1c(Cl)cccc1[N+](=O)[O-] 70163190 OXNOLWHPBQDDHQ-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C=CCCCCNc1ccncc1Br 308465824 HBPZLOURCWDIJN-UHFFFAOYSA-N 255.159 3.612 30 20 CHED CCc1cc(NCc2cc(C#N)cs2)ccc1F 512492635 VRXRQHVGPIJKAG-UHFFFAOYSA-N 260.337 3.933 30 20 CHED Cc1cc([C@H](C)Nc2cc(C#N)sc2[N+](=O)[O-])c(C)o1 407085511 AEVHXEOWMVZGBC-QMMMGPOBSA-N 291.332 3.911 30 20 CHED CCC(C)(C)CC(=O)Nc1ccc(Cl)c(C#N)c1 467101332 CQPJVEFYWCIKIJ-UHFFFAOYSA-N 264.756 3.976 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl 425553857 UEHZYNAKYBPDPP-PWSUYJOCSA-N 276.767 3.976 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CSC(C)C 547765363 CZQDVIJQLKRCOY-UHFFFAOYSA-N 277.433 3.733 30 20 CHED C=C[C@H](C)N[C@H]1CCCc2c(Br)cccc21 336745306 QPSLHZVERGZQBQ-HZMBPMFUSA-N 280.209 3.991 30 20 CHED CCCCCCCCCCCC(=O)N1C[C@H](O)C[C@@H]1C 385087441 INDRPIYMPZDCDG-JKSUJKDBSA-N 283.456 3.889 30 20 CHED C=CCCSCCNCc1cnc2ccccc2c1 696026195 VUHLYDPOXXGIPE-UHFFFAOYSA-N 272.417 3.634 30 20 CHED N#Cc1cc(F)cc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 718618176 MARAZYVWIUDKAE-SJTFNBSGSA-N 270.351 3.934 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](CC#N)C1 397876296 YVQLBIARVVKEOT-HNNXBMFYSA-N 264.413 3.889 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NOCc2ccccc2)o1 839423800 VUZVXHFWBPTLEC-SWLSCSKDSA-N 255.317 3.954 30 20 CHED C=CCCCCOc1cc(Br)cc(C(=O)O)c1 1588802154 DQLLLFLOOHISIU-UHFFFAOYSA-N 299.164 3.882 30 20 CHED C=C(C)CNC(=S)Nc1ccc(N(CC)C(C)C)cc1 6330250 OJOVLRCSPYWTJS-UHFFFAOYSA-N 291.464 3.784 30 20 CHED CCOc1ccc(NC(=S)NN=C(CC)CC)cc1 7014547 AGVSXYKJQFOMBT-UHFFFAOYSA-N 279.409 3.548 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)s1 106419593 XCSGDMWSBNJXAT-LBPRGKRZSA-N 290.775 3.705 30 20 CHED C=CCCC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 102246935 UNBIYGCXGUXMLX-CQSZACIVSA-N 295.329 3.748 30 20 CHED CCC[C@@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OCC 56802326 NMNDXNYQFBADQA-GFCCVEGCSA-N 289.379 3.609 30 20 CHED CCN(C(=O)CSc1ccc(C#N)cc1)[C@H](C)C(C)C 103002507 JCYDKEKTXSPKSV-CYBMUJFWSA-N 290.432 3.543 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1oc2c(C)ccc(C)c2c1C 56412653 OSUYJZQHHRWURA-NSHDSACASA-N 298.386 3.980 30 20 CHED N#CC1CCN(C(=O)Nc2ccc3ccccc3c2)CC1 104970988 ZLEFDXLVDXAGPP-UHFFFAOYSA-N 279.343 3.607 30 20 CHED COCCOc1ccccc1N[C@@H](C#N)C1CCCCC1 115606128 COQAEFZBRKTQJD-INIZCTEOSA-N 288.391 3.596 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccsc1 57878961 LOZWEWJBXBERCU-SNAWJCMRSA-N 258.342 3.961 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccccc1OC 67007517 WPXKBXWQRAEZNM-CYBMUJFWSA-N 293.432 3.600 30 20 CHED N#Cc1ccc(F)c(CNc2ccc3scnc3c2)c1 178350605 PAGJKHJKVGHXAE-UHFFFAOYSA-N 283.331 3.919 30 20 CHED Cc1cccc(OCCNc2c(F)cc(C#N)cc2F)c1 111142615 SXNFRZMECNTZDD-UHFFFAOYSA-N 288.297 3.636 30 20 CHED C=CCN(CC=C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 301759898 IDIPTSJGVRYOFW-HNNXBMFYSA-N 286.419 3.813 30 20 CHED C=CCOc1ccc(CNCC(O)(CC)CC)cc1Cl 66991117 QVNWDHFFJZWBOI-UHFFFAOYSA-N 297.826 3.546 30 20 CHED C=CCOc1cccc(CN[C@H](C)CC(C)(C)OC)c1 174552383 UEWODDMEMSOSLZ-CQSZACIVSA-N 277.408 3.545 30 20 CHED C=CCSCCNC(=O)[C@@H](CC)Sc1ccccc1 110669961 DJIBJXYVVPFFDZ-CQSZACIVSA-N 295.473 3.593 30 20 CHED Cn1cc(C(=O)/C=C/c2cccc(OC3CCCC3)c2)cn1 68395510 JFYOYHOGPHPSIK-MDZDMXLPSA-N 296.370 3.638 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)cn1)c1ccccc1Cl 110284018 XYXZPPOFYSUQBS-UHFFFAOYSA-N 299.761 3.523 30 20 CHED C[C@@H](CCc1ccccc1F)C(=O)OCC1(CC#N)CC1 174753980 VRHFFHPIKPJEOH-ZDUSSCGKSA-N 289.350 3.631 30 20 CHED O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1ccccc1O 176953519 RDTAOGQVZQGVIK-VOTSOKGWSA-N 298.729 3.589 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)c2ccccc2Cl)c(C)o1 172029974 NVKPXHQSRORQSN-CQSZACIVSA-N 288.734 3.545 30 20 CHED COCCC1(CNc2ccc(C#N)cc2C(F)(F)F)CC1 301703858 FQIBHAFERYLOAR-UHFFFAOYSA-N 298.308 3.806 30 20 CHED CCN(C(=O)C1[C@H]2CCC[C@@H]12)[C@H](C)c1ccc(C#N)cc1 178282909 KPMGEDPCCZDOQG-AJSFGMTHSA-N 282.387 3.514 30 20 CHED CC[C@@H](Nc1ccc(C#N)cn1)c1ccc(C)cc1 301060004 AEFZTPXOATZNDI-OAHLLOKOSA-N 251.333 3.825 30 20 CHED CC(C)(CCc1ccccc1)NC(=O)c1cccc(C#N)c1 171317539 SMQMBYCMMUQWJK-UHFFFAOYSA-N 292.382 3.699 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])c(C#N)c2)cc1 302164132 IPISUTGSBHZKEL-CYBMUJFWSA-N 295.342 3.972 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C/c1cnc(C)s1 112234241 VMYNFPDOJUBPDC-MDZDMXLPSA-N 298.411 3.680 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCC1CC1 115901604 DGNUSVCASXENAB-CQSZACIVSA-N 294.354 3.558 30 20 CHED C=C(Cl)CSCCOc1ccc(OC)cc1 302925195 BCKTULBMOPTRMI-UHFFFAOYSA-N 258.770 3.560 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc(Oc3ccccc3)o2)C1 179871076 RLRACACYOPLORU-OCCSQVGLSA-N 297.310 3.921 30 20 CHED C=CCCCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 175354816 DABRHHHZXLRABP-UHFFFAOYSA-N 288.391 3.510 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 176862199 OXQWVTJEBUHHBE-WWGRRREGSA-N 290.382 3.883 30 20 CHED Cc1cc(C)cc(N/C(N)=N\Cc2ccc(C)cc2C)c1 303895418 PLUQNIBNLKTMEW-UHFFFAOYSA-N 281.403 3.847 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@H]1CSC)c1ccccc1 179326180 VFHXCOBDULVCKB-HOCLYGCPSA-N 289.444 3.700 30 20 CHED C[C@H](C#N)SCc1ccc(Br)cc1 306394289 FLZNGYQYWYXXDD-MRVPVSSYSA-N 256.168 3.594 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C 69353221 OOCYIDZDYCCQFY-HOCLYGCPSA-N 289.419 3.871 30 20 CHED N#Cc1nc(N2CCC[C@@H]3CCCC[C@@H]32)ccc1Cl 301560737 XVPUVZARJMDWRX-FZMZJTMJSA-N 275.783 3.766 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccsc2C(F)(F)F)C1 600145939 SHJYXZLAVGFMEP-LBPRGKRZSA-N 288.338 3.893 30 20 CHED Cc1ccc(C(=O)COc2cc(Cl)cc(C#N)c2)s1 311568730 ZQDFFWMMAMKFOO-UHFFFAOYSA-N 291.759 3.843 30 20 CHED Cc1ccc(CO)cc1N[C@@H](C)c1cccc(C#N)c1 600851121 VSKCYQGVOZTLAJ-ZDUSSCGKSA-N 266.344 3.532 30 20 CHED COc1ccccc1/C=C1\COc2c(C)cc(C)cc2C1=O 63411999 SYIXRXXTSYUQJC-XNTDXEJSSA-N 294.350 3.971 30 20 CHED CC(C)c1cccc(N/C(N)=N/Cc2ccsc2)c1 303891553 NDAIELPCXWUIDW-UHFFFAOYSA-N 273.405 3.798 30 20 CHED CC(C)C[C@@H](C)Nc1ccc2cc(C#N)ccc2n1 301953271 HVASLUFFMBTDCQ-GFCCVEGCSA-N 253.349 3.953 30 20 CHED COc1cc(C)ccc1CNc1snc(Cl)c1C#N 301612943 GOSKAIXCJYIYKT-UHFFFAOYSA-N 293.779 3.597 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCc3cccnc3)c2c1 301352027 NBPIHFVKDYZVCS-UHFFFAOYSA-N 288.354 3.730 30 20 CHED C=C(C)CSc1nc(CCC2CCCC2)n[nH]1 78685146 MVZIYPPZNDNGJP-UHFFFAOYSA-N 251.399 3.596 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 184169047 UIKXOFJILFLQBZ-CHWSQXEVSA-N 284.403 3.588 30 20 CHED CC[C@@H](CC#N)NC(=O)CCCCCc1cccs1 183861695 JPSQINSNPPYJAN-ZDUSSCGKSA-N 278.421 3.659 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 475495184 SBIQOLNUNSODGY-LBPRGKRZSA-N 276.767 3.976 30 20 CHED CC[C@H](C)C[C@@H](CC)NCc1ccc(OCC#N)cc1 180558968 LTSXARYPTRWCMC-GOEBONIOSA-N 274.408 3.893 30 20 CHED CC(C)c1cccc(CNCc2ccc(C#N)o2)c1 479422281 KVFRBNJJFLHCKS-UHFFFAOYSA-N 254.333 3.564 30 20 CHED CO[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 185846957 XBLQUDMYSZWQHQ-APHBMKBZSA-N 292.810 3.699 30 20 CHED Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@@H](C)C#N 123647589 XDDKHRJVBMXJPL-KBPBESRZSA-N 257.381 3.698 30 20 CHED CCOc1cccc(CNc2cccc(OCC#N)c2)c1 37678791 NIEZEIHIDVIRRP-UHFFFAOYSA-N 282.343 3.600 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)c1cccnc1)c1ccccc1 187480075 MEDNCVVOYMZSGB-YOEHRIQHSA-N 280.371 3.619 30 20 CHED C=C(C)CN(C)Cc1c[nH]nc1-c1cccc(Cl)c1 181050481 SFDRWNQCGAXFRB-UHFFFAOYSA-N 275.783 3.738 30 20 CHED C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)CC(F)(F)F 414278607 IDHPPFKHNSMBTJ-UWVGGRQHSA-N 288.288 3.936 30 20 CHED C=CCC[C@@H](NC[C@H](C)CCOC)c1ccco1 414201259 MBXUGCGLEOWMAN-ZIAGYGMSSA-N 251.370 3.549 30 20 CHED CC(C)N(C)C(=O)c1ccccc1Oc1ccccc1C#N 182326610 RAZVIFQIQWEWEP-UHFFFAOYSA-N 294.354 3.831 30 20 CHED CC[C@H](C)N(C(=O)c1ccccc1OCC#N)[C@@H](C)CC 184937103 NXCPXRLDIQBQCN-KBPBESRZSA-N 288.391 3.628 30 20 CHED N#CCCCN1CCCc2cc(OC(F)(F)F)ccc21 76947103 IDBYKDZFACVKCR-UHFFFAOYSA-N 284.281 3.642 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(SC)c1 187745419 XYNDSRFKVAMINO-HNNXBMFYSA-N 279.405 3.576 30 20 CHED CC(C)(CC(=O)OCC1(C#N)CCC1)c1ccccc1 183855377 YTFXDUCCZJTCJG-UHFFFAOYSA-N 271.360 3.591 30 20 CHED C=CCN(C(=O)/C=C/c1ccsc1)c1ccccc1 71846336 IOYPRTYYQGYNTE-CMDGGOBGSA-N 269.369 3.981 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CC)CSc1ccccc1 507484598 QOSIXSQDNCFOPP-UONOGXRCSA-N 292.448 3.821 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(F)ccc1Cl 181691787 YJDXBGARNSYOMB-UHFFFAOYSA-N 256.708 3.519 30 20 CHED C=CCCCCCN(C)c1nnc(-c2ccc[nH]2)n1CC=C 508892315 CJWKEXSNIRUESI-UHFFFAOYSA-N 299.422 3.642 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1c(C)noc1C 70050084 YFFJFROXSATAGF-UHFFFAOYSA-N 291.395 3.892 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccc(F)cc1F)C(C)C 181649601 YMLGTJRDJZZOMS-BBRMVZONSA-N 283.362 3.579 30 20 CHED CCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 509223152 JOUMBRYKJBEBIP-CYBMUJFWSA-N 293.370 3.605 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)Cc1cccc(Cl)c1 410833827 ICPNPBXHKGJDKS-IUODEOHRSA-N 292.810 3.669 30 20 CHED CC(=O)c1ccc(N[C@H]2CCCc3cc(C#N)ccc32)nc1 419013679 IHVBCQUTEYMCOF-KRWDZBQOSA-N 291.354 3.645 30 20 CHED COC1CCC(N[C@H](CCC#N)c2ccccc2)CC1 183160973 KZPMAGNTRYAWRV-OFLPRAFFSA-N 272.392 3.579 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1nc2ccccc2s1 134877511 VQHNEMIBCMRGQI-MRXNPFEDSA-N 288.416 3.557 30 20 CHED CCC1(C(O)=Nc2nc3cccnc3n2C)CCCCC1 329520787 QMZOCJBULQMFDL-UHFFFAOYSA-N 286.379 3.917 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(c2ncc(C#N)cc2F)C1 413287746 CENLYHVNHDBHQB-BLLLJJGKSA-N 281.334 3.680 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1ccc(-c2ccccc2)o1 507190528 LWTFWNFSIANATL-QGZVFWFLSA-N 282.343 3.503 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)cc1 220154745 ZAOGBUANZFEGMB-BHQIHCQQSA-N 288.249 3.559 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(OC)c(Cl)cc1OC 191804372 ITSQTUCDRRGYHG-HNNXBMFYSA-N 297.782 3.898 30 20 CHED CC1(C)CCC[C@H](/C(O)=N/Cc2noc(C3CC3)n2)C1 328999735 VJEGFETZEWRHFJ-NSHDSACASA-N 277.368 3.620 30 20 CHED C=CCSCCNC(=O)N(C)C1CCC(C)(C)CC1 509211402 ZHKLUKALHLAMHO-UHFFFAOYSA-N 284.469 3.516 30 20 CHED C=CCSCCNC(=O)Nc1c(C)cccc1CC 194595580 QOQLHXNSXRSLBW-UHFFFAOYSA-N 278.421 3.598 30 20 CHED C#CCCCC(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 192120932 QRFFGCJUOCECOD-GFCCVEGCSA-N 297.320 3.556 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(F)c(F)cc1F 132299019 UQRVGUWXQFRNAI-UHFFFAOYSA-N 285.309 3.922 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)O[C@@H](C#N)C1CC1 130667584 JUZSNVCXZLGSTF-YHAOYDPOSA-N 275.735 3.589 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c2ccc(F)c(F)c2n1 425278625 ZEDVBABCYNSRBJ-WDEREUQCSA-N 287.313 3.926 30 20 CHED CCC[C@H](C(=O)Nc1ccc(F)cc1C#N)C(C)C 160500539 RADKOPCUZUMNFY-ZDUSSCGKSA-N 262.328 3.708 30 20 CHED C[C@@H]1C[C@H](/N=C(/O)N[C@@H]2CCCCC23CCCC3)CCO1 329843299 XJIYYGUZTPUQNG-RBSFLKMASA-N 294.439 3.561 30 20 CHED Cc1c(C(=O)NCC2CCC2)sc2ccc(C#N)cc12 428167366 PWWNSXDAYMFYJD-UHFFFAOYSA-N 284.384 3.611 30 20 CHED C[C@@H](/N=C(/O)c1coc(C2CCCC2)n1)c1ccccn1 329925145 JNSTWPKWXSOTRR-LLVKDONJSA-N 285.347 3.793 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 424320667 GEFRIRDZDZEUOK-DXCKQFNASA-N 299.374 3.644 30 20 CHED CN(Cc1ccc(C#N)cc1)C(C)(C)CN1CCCCCC1 426749786 IQTPUCVDVKQHKI-UHFFFAOYSA-N 299.462 3.645 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)NCC#Cc1ccccc1 512046700 NTJRSPPEXNBFST-WMZOPIPTSA-N 298.430 3.554 30 20 CHED O=C1/C(=C/c2ccc(O)c(Cl)c2)Cc2ccccc21 49371841 ZAYYMAFYJVUTOV-KPKJPENVSA-N 270.715 3.868 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[C@H](SCC)C1 424704718 XGNQKYFMBREAEH-STQMWFEESA-N 269.454 3.721 30 20 CHED C=C(C)C(C)(C)c1nc(COc2ccccc2)no1 424227093 YXFUAFLODSUCJE-UHFFFAOYSA-N 258.321 3.502 30 20 CHED CC#CCCCc1nc(COc2ccc(Cl)cc2)no1 517431942 KAVNOAGIIQTFLN-UHFFFAOYSA-N 290.750 3.648 30 20 CHED C[C@@H]1CCCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 334505306 NHTJWKXONYUGJC-CQSZACIVSA-N 284.403 3.528 30 20 CHED C=C[C@@H]1OCCC[C@H]1c1nc([C@H]2CCCC[C@@H]2C)no1 424351424 WRRDWYNEAOHSAO-FQUUOJAGSA-N 276.380 3.812 30 20 CHED C=CCC1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCN2)CCCC1 423154602 JSYPYWJKGQTDSW-YESZJQIVSA-N 276.468 3.633 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCCC(C)(C)C1 338788426 MXANESYSAMCOEE-UHFFFAOYSA-N 288.439 3.748 30 20 CHED N#CCc1ccccc1NC(=O)c1cc(Cl)ccc1F 334461495 WCDZULTVFCKODW-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CC[C@H](C)n1ncc(N=C(O)[C@@H]2CCC(=O)C[C@@H]2C)c1C 330091345 XRKVHFUNPMZEDG-COPLHBTASA-N 291.395 3.756 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1cc(C#N)cs1 84070181 SFSNAFGUCBGAJN-UHFFFAOYSA-N 282.368 3.521 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H](C)CC1CCCC1 511132355 WDMUBALXPRVHRH-OAHLLOKOSA-N 278.440 3.991 30 20 CHED CC[C@H](C)n1ncc(N=C(O)[C@H]2CCC(=O)C[C@H]2C)c1C 330091347 XRKVHFUNPMZEDG-SUNKGSAMSA-N 291.395 3.756 30 20 CHED C=CCCC(=O)Oc1cc(Br)cc(F)c1F 193796901 KUBXBLVKDOAIDI-UHFFFAOYSA-N 291.091 3.599 30 20 CHED N#Cc1ccc(NC[C@H]2CCC[C@H](N)C2)c(C(F)(F)F)c1 420273087 DXADLXABYUXPTP-RYUDHWBXSA-N 297.324 3.506 30 20 CHED C[C@H](CN(CC#N)C1CC1)c1cccc(Br)c1 511955178 DLKQMCJXJWXUNU-LLVKDONJSA-N 293.208 3.541 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(C)[C@H](C)CC 519857060 HVUXXJKMNHXHNC-CYBMUJFWSA-N 276.428 3.747 30 20 CHED C=C(CNC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 512677857 NHXQCJHHRSHZEM-KRWDZBQOSA-N 284.403 3.674 30 20 CHED CC[C@@H]1CCCC[C@H]1/N=C(/O)c1ccc(C#N)c(O)c1 331260396 BDOLYJLMJNQLPB-BXUZGUMPSA-N 272.348 3.537 30 20 CHED CC#CCCCC(=O)NCc1ccc(C2CCC2)cc1 427228874 AULVTERPVWICJF-UHFFFAOYSA-N 269.388 3.764 30 20 CHED CC[C@H](c1ccccc1)N(CC)C(=O)N[C@@H]1CC[C@H](C#N)C1 425615454 YIHCYNXCJMEEPT-USXIJHARSA-N 299.418 3.861 30 20 CHED N#CCCC1CCN(C(=O)C2C[C@H]3CCC[C@H](C2)C3)CC1 335500549 IGDWAKAPZKRCNZ-HOTGVXAUSA-N 288.435 3.745 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC(C)(C)C1CC1 425105457 DXUSOVFHWCAHFT-CYBMUJFWSA-N 284.403 3.904 30 20 CHED Cc1nc(/C(O)=N/CCCC2CCCCC2)c(C)o1 331192411 RLXCLPAHUDIOTP-UHFFFAOYSA-N 264.369 3.957 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Br)cs1 424318672 DFDUNFVPGNHLGZ-WCABBAIRSA-N 299.237 3.853 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ccsc2)cc1 336607951 UDIMCYKXILCDLX-UHFFFAOYSA-N 270.357 3.802 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(C#N)s2)C1 336100584 WECOBUVLNBKWRX-MEDUHNTESA-N 288.416 3.661 30 20 CHED C=CCC[C@@H](C(=O)N=c1cc(C(C)C)[nH][nH]1)c1ccccc1 429016421 BWSYJBDXIHVMKB-OAHLLOKOSA-N 297.402 3.644 30 20 CHED N#CC1(C(=O)N2Cc3ccc(Cl)cc3C2)CCCCC1 334576431 PIRVRETYLYLJOD-UHFFFAOYSA-N 288.778 3.656 30 20 CHED C[C@@H]1CCC[C@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 339994827 NYJSXLRIZZSQDN-OIISXLGYSA-N 284.403 3.626 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Sc2cccs2)c1 143914269 NOLZOOWVVFKZAB-UHFFFAOYSA-N 262.315 3.679 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc3nccnc3c2)cc1 97995882 VXLBEUFENVCCIN-OQFOIZHKSA-N 290.322 3.535 30 20 CHED CN(CCOc1ccccc1C#N)C1CCC(C)(C)CC1 94859582 JFZJPSOVSIGGDF-UHFFFAOYSA-N 286.419 3.838 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)C2(c3cccc(C#N)c3)CC2)C1 435354106 KZNULVZNQRYCEV-HUUCEWRRSA-N 296.414 3.627 30 20 CHED C=CCOCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 511890290 DNMMVXAOKWCTNZ-OTWHNJEPSA-N 285.431 3.847 30 20 CHED Cc1ccc2sc(C(=O)N[C@@H](C)CC#N)c(C)c2c1 335761005 JKFUMLICFGLCLP-JTQLQIEISA-N 272.373 3.550 30 20 CHED CCCCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2)C1(C)C 236864187 TTWSAVNMCMACEO-SJORKVTESA-N 286.419 3.632 30 20 CHED CC(C)C[C@H]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 433384995 XFMDICWTEKFBLP-MSOLQXFVSA-N 298.430 3.654 30 20 CHED Cc1cncc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c1 430597848 BCOISMFVHVVFQZ-GFCCVEGCSA-N 299.399 3.634 30 20 CHED C=CCC[C@H](NC(=O)c1cncc(C)c1)c1ccccc1 435280814 UJPMCVLTKZEQHW-KRWDZBQOSA-N 280.371 3.827 30 20 CHED COc1cccc2c1CCCN2Cc1ccc(F)c(C#N)c1 433323924 ABYNZAJDXDUOOD-UHFFFAOYSA-N 296.345 3.659 30 20 CHED COc1cccc(CSCc2cccc(C#N)c2F)n1 346578861 NFRWLCCJYVCJBA-UHFFFAOYSA-N 288.347 3.534 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccnc(C2CC2)c1 348540957 PCBIXTSPPMGQRV-UHFFFAOYSA-N 285.391 3.503 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(CC#N)cc2)C1(C)C 248200941 VQHGNXHYDMFHBC-CVEARBPZSA-N 282.387 3.930 30 20 CHED CC(C)(CCC#N)CNC(=O)C[C@@H]1CCc2ccccc2C1 345907319 NEJFYZSQCZVWLQ-OAHLLOKOSA-N 298.430 3.628 30 20 CHED Cc1ccc(-c2csc(NC(=O)[C@@H](C)C#N)n2)cc1C 345674745 YKZZRJMLIUOUEQ-NSHDSACASA-N 285.372 3.525 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCSc2ccccc21 436297390 XORPSJIRLRWHKL-UNEWFSDZSA-N 289.444 3.794 30 20 CHED CC(C)COc1cccc(CN2CCC(F)(C#N)CC2)c1 348719261 ZRCNOSLHACXHIT-UHFFFAOYSA-N 290.382 3.549 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCc3sccc3[C@@H]2C)c1 347430034 MUKVMZNNZJROSV-NSHDSACASA-N 296.395 3.946 30 20 CHED Cc1cc([C@H](C)NC[C@@H](C)CCC#N)c(C)s1 602512795 UPOXZSVMMACUHV-JQWIXIFHSA-N 250.411 3.955 30 20 CHED Cc1ccc(CCNc2cccc(F)c2C#N)cc1 609704397 WFDNIAJUZIYRRQ-UHFFFAOYSA-N 254.308 3.660 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)CC1 343347634 WUXVGZOPDCCTQU-DLBZAZTESA-N 299.414 3.627 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C(C)C)c(O)cc1C 436563869 FOKDCTBQAYYGNZ-GFCCVEGCSA-N 261.365 3.518 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1C1CCCCC1 437857529 HGUASTXEKRPSMU-WMZOPIPTSA-N 292.467 3.502 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(O)cc3)c2c1 255711133 QNHOVYWFFGZQNN-WTKPLQERSA-N 293.322 3.778 30 20 CHED CCN(C(=O)[C@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 347035110 KFNWSKOVKZPSON-GHMZBOCLSA-N 298.308 3.775 30 20 CHED COc1ccc(Br)cc1S[C@H](C#N)C1CC1 601076477 HETPOTGJGKCHIP-GFCCVEGCSA-N 298.205 3.852 30 20 CHED C[C@@H]1CC[C@@]2(CCN(c3nccc(C#N)c3Cl)C2)C1 342835301 ODMKJNZEEVKDOH-IAQYHMDHSA-N 275.783 3.623 30 20 CHED N#CCC[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 342222422 LPMUXMZQVBJLEO-GOSISDBHSA-N 293.345 3.832 30 20 CHED C[C@H]1CCCC[C@H]1CN(CCC#N)Cc1ccco1 346210410 OGZGASBQCQFOAP-GJZGRUSLSA-N 260.381 3.822 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N(C)CC1(CC#N)CC1 602758021 FDQSIOSCQAMCFE-NSHDSACASA-N 264.319 3.651 30 20 CHED C=CCCCC[C@H](C)Nc1cccc(NS(C)(=O)=O)c1 449048791 WLNQBKXLNIAODP-ZDUSSCGKSA-N 296.436 3.605 30 20 CHED N#CCCN(Cc1ccco1)Cc1nc(C2CC2)cs1 343534290 ISOZGPYMYFCCAL-UHFFFAOYSA-N 287.388 3.529 30 20 CHED C=CCN1CCC(N[C@H](CC)CCc2ccccc2)CC1 527857510 CHEORJXKTIQTQV-GOSISDBHSA-N 286.463 3.638 30 20 CHED Cc1ncc([C@@H](C)Nc2ncc(C#N)cc2Cl)s1 601227611 GFBAOCVXRAUCTD-SSDOTTSWSA-N 278.768 3.545 30 20 CHED Fc1ccc(C=NOCc2cccc(F)c2F)cc1 254973925 FIYFYLUAIJERCT-UHFFFAOYSA-N 265.234 3.655 30 20 CHED CCN(CC)CCC[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 353415622 VZXCHWAIPDPPGA-DNVCBOLYSA-N 299.462 3.646 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CCC1CCCC1 355389658 HYVKLMFNAXSLLX-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCOc3c(F)cccc32)CC1 355032974 DGRPECVJRIAHIB-AWEZNQCLSA-N 289.350 3.512 30 20 CHED C=CCCC1(C(=O)N2CCC(c3nccs3)CC2)CC1 355547472 RWCOOFZJPWMIGS-UHFFFAOYSA-N 290.432 3.596 30 20 CHED N#Cc1cc(-c2cccc(CNCC3CC3)c2)ccc1F 600782330 PDMMOTGZJBZJCR-UHFFFAOYSA-N 280.346 3.864 30 20 CHED CCCCn1ncc(NC(=O)[C@](C)(C#N)CC)c1C(C)C 355096811 CVXMXABTGBGXDQ-INIZCTEOSA-N 290.411 3.685 30 20 CHED CC(C)Cc1noc(CSc2ccc(C#N)cc2F)n1 356050355 CNULLXHSROXQNJ-UHFFFAOYSA-N 291.351 3.571 30 20 CHED COc1ccc(CSC[C@@H](C)C(F)(F)F)cc1C#N 533361840 CWOUSPMWBIZJGQ-SECBINFHSA-N 289.322 3.998 30 20 CHED COc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1C(F)(F)F 442857362 NBHJIOFGIITMGI-ZJUUUORDSA-N 284.281 3.818 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C1=C(C)CC(C)(C)CC1 448723786 IXWATNCRPUESLX-LBPRGKRZSA-N 262.397 3.521 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1ncnc2ccsc12 619423612 SXCXEMIFBMRHDT-LBPRGKRZSA-N 297.408 3.918 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)CC1(c2ccccc2)CC1 444687401 UYRPZDXMOGYESP-UHFFFAOYSA-N 294.373 3.861 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@H](OC)c1ccc(OC)cc1 536844441 IJVBZAZGWXKQCB-XSWJXKHESA-N 291.435 3.962 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCO[C@@H](c2cccs2)C1 449622023 IYIHIJQVTGUAQA-BFHYXJOUSA-N 265.422 3.913 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SC[C@H]1CCOC1 265096362 PZXLHDSTVPYCCR-ZDUSSCGKSA-N 296.395 3.749 30 20 CHED CC(C(=O)NC1(c2cccc(C#N)c2)CC1)=C1CCCC1 269587425 AOZAJJHFPOSHPI-UHFFFAOYSA-N 280.371 3.554 30 20 CHED C=CCCNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 617616022 GLYQPDQFXYNUOV-VIFPVBQESA-N 272.175 3.789 30 20 CHED N#Cc1cccc(OCCCN(C2CCCC2)C2CC2)c1 532422524 MTTZQXJOTNWDLK-UHFFFAOYSA-N 284.403 3.734 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(F)ccc2ccncc12 613273096 RCARPBMEJYQCPB-LBPRGKRZSA-N 286.350 3.849 30 20 CHED C=CCC1(NC(=O)c2cc(C)n(C(C)(C)C)n2)CCCC1 619104810 WXCALXRQBFMIAL-UHFFFAOYSA-N 289.423 3.565 30 20 CHED Cc1ccc(C2(CN[C@H]3CC[C@@H](C#N)C3)CC2)c(C)c1 449381938 ZWUBMLUUANAWKW-CVEARBPZSA-N 268.404 3.617 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(OCC)c(OC)c1 537068453 DBTRFWZESLZAKQ-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED C[C@@H]1C[C@H](CNc2ccc(C#N)cc2C(F)(F)F)CCO1 356799456 TXXUCSYEPHWOER-ZYHUDNBSSA-N 298.308 3.804 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1c(C)noc1C(F)F 610777602 LKGMITJPWWMEKF-UHFFFAOYSA-N 299.321 3.513 30 20 CHED COCCCC[C@H](Nc1ncccc1C#N)c1ccccc1 359857738 QNAZISMTXDTYAO-KRWDZBQOSA-N 295.386 3.923 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(CCC#N)CC(F)(F)F 531374939 AHNNSOIHGVFWPH-NWDGAFQWSA-N 290.329 3.507 30 20 CHED CC1(C)CN(C(=O)[C@]2(C#N)CC23CCCC3)CC(C)(C)C1 450668490 ZPSQGDPCZQOAGT-GOSISDBHSA-N 288.435 3.745 30 20 CHED Cc1oc2ccccc2c1CC(=O)NC1(C#N)CCCCC1 362226761 LVNURUXLGSLVEA-UHFFFAOYSA-N 296.370 3.626 30 20 CHED C=CCCC1(C(=O)Nc2ccc(CN(C)C)c(C)c2)CC1 458259525 GORLVLQLBXQJTA-UHFFFAOYSA-N 286.419 3.742 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)ccc1OC 537225191 NXACFTIOGHCOKR-NSHDSACASA-N 280.343 3.701 30 20 CHED CCC[C@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 458022105 KAPWVSNIFYFDDO-HNNXBMFYSA-N 272.392 3.626 30 20 CHED C=CCNC(=O)c1ccc(-c2cccc3cccnc23)cc1 367005053 XPBBTIZKVOPSBD-UHFFFAOYSA-N 288.350 3.818 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1c1cccc(C#N)n1 450605399 ZHJPFMWWKAXYSO-CPUCHLNUSA-N 277.371 3.724 30 20 CHED C[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)C1CC1 611391947 BOVBRQHRKXYQHT-SJCJKPOMSA-N 254.377 3.571 30 20 CHED CC(C)(C)CCCC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618739808 SJPKISRYIYLUHT-MRXNPFEDSA-N 284.403 3.878 30 20 CHED CC(C)C[C@H](C(=O)N1CCC(C#N)CC1)c1ccccc1 610124735 PMMLEXHYBZYTLV-KRWDZBQOSA-N 284.403 3.578 30 20 CHED N#CC[C@@H](CC(=O)N1CC(C2CCCC2)C1)c1ccccc1 365409119 GRTGYGBFOCKKKR-KRWDZBQOSA-N 296.414 3.723 30 20 CHED Cc1c(NC(=O)CCCC#N)cccc1C(F)(F)F 360368217 ZBXAUHUROAWQDP-UHFFFAOYSA-N 270.254 3.646 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 365247959 YRZCUSZDLYXUEB-CQSZACIVSA-N 265.303 3.595 30 20 CHED C#CCCCSc1nnc(-c2ccoc2C)n1CC=C 270859707 JMXZCZPDSZNMLY-UHFFFAOYSA-N 287.388 3.538 30 20 CHED C=CC[C@H](CO)CN[C@@H](Cc1ccccc1)c1ccccc1 540397299 UTNDVHKVVJZZGY-ICSRJNTNSA-N 295.426 3.745 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Br)c(C)cc1C 450469715 RQODGXBOJVJWBZ-UHFFFAOYSA-N 296.208 3.714 30 20 CHED C#CCCCCc1nc(-c2ccc(C(C)C)nc2)no1 277897189 HTMVJPJKWILWDV-UHFFFAOYSA-N 269.348 3.601 30 20 CHED CC(C)[C@H]1CN(C(=O)c2cccc(CC#N)c2)[C@@H]1C(C)C 456301094 UEGRYSRDNCSPIX-IAGOWNOFSA-N 284.403 3.505 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 451126575 DDXFSTIUDHBLRG-UOVPBQLFSA-N 292.426 3.742 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 540646542 JSWAFHVIIBLTEH-STQMWFEESA-N 270.376 3.862 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cccc(OC(F)F)c1 450665742 GRHBDMZLMRNGBD-NSHDSACASA-N 280.318 3.632 30 20 CHED N#Cc1c(Cl)cccc1NC[C@H]1CCOC2(CCC2)C1 450717953 MJEXSCGRIUUDLW-LBPRGKRZSA-N 290.794 3.973 30 20 CHED C=CCCN(C)C(=O)Nc1cc(Cl)ccc1F 276249768 DGOSZDULPAPTOZ-UHFFFAOYSA-N 256.708 3.519 30 20 CHED CN(CCCCC(C)(C)C#N)c1ccc2c(c1)OCO2 277891805 ZYZQIXXAMMEMGS-UHFFFAOYSA-N 274.364 3.572 30 20 CHED N#Cc1ccc(CSC2CCC2)c(OC(F)F)c1 450984825 GOTYNICTJXUHFQ-UHFFFAOYSA-N 269.316 3.945 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(C)nc2C(C)C)n1 453596619 XFQQWOBMODQGNN-ZDUSSCGKSA-N 299.399 3.768 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(C3CC3)on2)CCCC1(C)C 278208354 FMGXYNNHKXCOTP-HNNXBMFYSA-N 288.391 3.759 30 20 CHED C=C(CC)CNC(=O)Nc1cc(OCC)ccc1OCC 454278547 LKWIQYIDXFZXBN-UHFFFAOYSA-N 292.379 3.572 30 20 CHED C=CCN(C(=O)c1ccc(C(=O)CC)cc1)C(C)(C)C 622944265 LDUSODQXZDCHEN-UHFFFAOYSA-N 273.376 3.706 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCCc1cccs1 272428294 PQJNQSPKWJVYKT-HNNXBMFYSA-N 278.421 3.515 30 20 CHED CC[C@H](C)[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 464714166 UHRRVKDPYZOJFU-CWRNSKLLSA-N 286.419 3.871 30 20 CHED C=CC(C)(C)CNC(=O)Cc1coc2ccc(C)cc12 627623030 KSCTUVITHXLWEO-UHFFFAOYSA-N 271.360 3.612 30 20 CHED C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC(C)(C)C1 544135513 HJBOCHVMAFARQP-UONOGXRCSA-N 299.418 3.697 30 20 CHED CC#CCOc1cccc(C(=O)Nc2ccc(C)cc2)c1 464093023 GPRPNIMFSMSVBP-UHFFFAOYSA-N 279.339 3.649 30 20 CHED CCCC[C@@H](CCC)NC(=O)N1CCC(CC#N)CC1 542855128 YCXAGOFGWUGYEQ-OAHLLOKOSA-N 279.428 3.681 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 465175740 IMSXKTGWUUSWQI-SSDOTTSWSA-N 290.697 3.637 30 20 CHED C=C(CNC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccccc1 287928168 DLYBRINSONPVCL-CQSZACIVSA-N 284.403 3.672 30 20 CHED C=CCCOCCNC(=O)c1cc(-c2ccccc2)oc1C 626273735 FHZJDNVHBMHYTQ-UHFFFAOYSA-N 299.370 3.578 30 20 CHED Cc1ccccc1[C@H]1CCN(c2nccc(C#N)c2Cl)C1 553052689 WOFVMOGRLIFINS-AWEZNQCLSA-N 297.789 3.909 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(OCCN(C)C)c1 467412773 UJMCNYBRKWUZSQ-DOTOQJQBSA-N 290.451 3.632 30 20 CHED C=CCSCCN[C@@H](c1ncc[nH]1)C1CCCCC1 285974978 HILGMWZVTIGOPE-CQSZACIVSA-N 279.453 3.540 30 20 CHED CC1(C)CCC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 467880735 OTXAUICNRBBTIV-MRXNPFEDSA-N 296.414 3.675 30 20 CHED C[C@H](c1cccc(C#N)c1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 550306187 TXZAHDWCXIJUCL-QNHTTWNFSA-N 266.388 3.597 30 20 CHED CC(C)CN(C(=O)[C@@H](C#N)CCc1ccccc1)C(C)C 469624248 ZBWONBXQLBQTGK-QGZVFWFLSA-N 286.419 3.652 30 20 CHED Cc1cnn(-c2ccc(NCCC(C)(C)C#N)cc2F)c1 288786610 XEMPUVBIEFBJDG-UHFFFAOYSA-N 286.354 3.672 30 20 CHED CC#CCCCC(=O)NC[C@]1(C)CCCc2ccccc21 466645759 ZFXJLOOGHWZEME-IBGZPJMESA-N 283.415 3.590 30 20 CHED C=CCC[C@H](NCCc1nccs1)c1ccco1 286111716 NRAJCPRWDVYIOC-LBPRGKRZSA-N 262.378 3.576 30 20 CHED CC(C)N(CCC#N)C(=O)c1nc(-c2ccccc2)cs1 554791935 AFRYVKYMGUHJGK-UHFFFAOYSA-N 299.399 3.574 30 20 CHED Cc1cc(N2CCCC[C@H]2CC(C)C)cc(C#N)n1 553448369 XSNFGFUFNREZPM-HNNXBMFYSA-N 257.381 3.667 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(N2CCCCCC2)cc1 285118873 VIGBXXGVHPFADW-SFHVURJKSA-N 299.418 3.945 30 20 CHED C[C@@H](N[C@H]1CSC1(C)C)c1ccc(C#N)cc1Cl 555229149 RFHIJBHTJFOQOP-RNCFNFMXSA-N 280.824 3.756 30 20 CHED CC[C@@H](CNc1cc(C#N)ccn1)Oc1cccc(C)c1 553489353 JZCASLPDQLVLQP-HNNXBMFYSA-N 281.359 3.531 30 20 CHED C=C(C)CCc1noc(-c2ncsc2C(F)(F)F)n1 289265060 RFISGKQIFBYEQP-UHFFFAOYSA-N 289.282 3.721 30 20 CHED N#Cc1cc(N[C@@H](CO)C2CCCC2)ccc1C(F)(F)F 386176023 ZWYTURGPUGFEBD-AWEZNQCLSA-N 298.308 3.540 30 20 CHED C[C@@H](C#N)OCCN1CCCCC[C@@H]1c1ccccc1 801913043 MZBCWBQYNLOUMZ-DOTOQJQBSA-N 272.392 3.532 30 20 CHED Cn1cc(-c2ccc(C=NNCCC(C)(C)C)s2)cn1 800815563 FHQBPLFBKZRNQR-UHFFFAOYSA-N 290.436 3.508 30 20 CHED C[C@H](Nc1nc(Cl)c(C#N)s1)c1cccc(C#N)c1 804527045 UQLULWVZLLNASU-QMMMGPOBSA-N 288.763 3.713 30 20 CHED CC(C)Oc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 299731809 XKEPMBFOTBBREW-ZIAGYGMSSA-N 260.381 3.817 30 20 CHED C=CCCc1noc([C@H]2C[C@H]2c2ccc(F)cc2F)n1 297315080 NBKKYVTWKRSWDO-RYUDHWBXSA-N 276.286 3.738 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C(C)(C)C#N)cc1 294358488 VETRVMWHPRLNJJ-UHFFFAOYSA-N 284.403 3.820 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1ccc(F)c2ccccc12 554742043 APTLWTNDRXAVTD-UONOGXRCSA-N 287.378 3.957 30 20 CHED C=CCOCCCC(=O)O[C@@H]1CCc2cc(Cl)ccc21 803371058 KAKNFWBNKLLYJA-OAHLLOKOSA-N 294.778 3.853 30 20 CHED Cn1cc(/C=C/C(=O)C2CCCCC2)c(C(F)F)n1 291304195 CMFHGWBFTKNQPA-BQYQJAHWSA-N 268.307 3.520 30 20 CHED CCC(CC)(C(=O)N(C)[C@H](C)C#N)c1ccc(Cl)cc1 297652769 BHHXVHYQJBZEHK-GFCCVEGCSA-N 292.810 3.768 30 20 CHED C[C@@H]1CC(C(=O)Nc2ccccc2CC#N)C[C@@H](C)C1 568796423 ZCDASPRMZNYTOK-STQMWFEESA-N 270.376 3.763 30 20 CHED CC(=NNC1CCCC1)c1c(F)cccc1Cl 807969396 QEQUQCGURVEAFS-UHFFFAOYSA-N 254.736 3.735 30 20 CHED C=CCC1(C(=O)Nc2cc(C(=O)OC)cs2)CCCC1 562527088 UZZFONRMHSIIFW-UHFFFAOYSA-N 293.388 3.610 30 20 CHED N#C[C@@]1(C(=O)Nc2ccsc2Cl)CC12CCCC2 296012371 QOXGWNSAJADJCW-CYBMUJFWSA-N 280.780 3.814 30 20 CHED C[C@@H]1CCCC[C@H]1NCC#Cc1cccc(Cl)c1 475149640 DZIDVFDZGUZDAG-CZUORRHYSA-N 261.796 3.860 30 20 CHED N#C[C@H]1CC[C@H](N2CCn3c(cc4c(Cl)cccc43)C2)C1 293959513 CICBFJIYJXATPO-STQMWFEESA-N 299.805 3.803 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1C1CCC1 566308952 VROGROFZVQOCEV-ZWKOTPCHSA-N 294.398 3.509 30 20 CHED C=CCOCCCN(C)C/C(C)=C/c1ccccc1 470870714 BNXHHGVQFRKZFJ-JQIJEIRASA-N 259.393 3.614 30 20 CHED C[C@@H](c1cccc(F)c1)N1CCC(CCC#N)CC1 563067247 FWJMCYTZLGLHOK-ZDUSSCGKSA-N 260.356 3.902 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](CC)Oc1ccccc1C 569126968 RQDCTNVHIIJMCJ-OAHLLOKOSA-N 289.419 3.871 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccnc(C(F)(F)F)c1 295074697 PQKOKTSNQQGZPX-QWRGUYRKSA-N 272.314 3.791 30 20 CHED O=C(NCC#Cc1ccccc1)c1ccc(C2CCC2)cc1 478032477 JFCYUJYPMTZUKF-UHFFFAOYSA-N 289.378 3.736 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H]1c1ccccc1 472875639 IGIJMVRGJGRCLO-INIZCTEOSA-N 272.392 3.889 30 20 CHED Cc1cc(C(=O)/C=C\c2nc3ccc(F)cc3s2)no1 806556400 SANXKHFVTNNRSS-PLNGDYQASA-N 288.303 3.628 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1csc(C)n1 812435680 QTBJKPMDLGGORV-UHFFFAOYSA-N 259.378 3.904 30 20 CHED Clc1ccc2c(NN=C[C@@H]3CCCOC3)ccnc2c1 814693696 CYYUVZFVCVJBDY-NSHDSACASA-N 289.766 3.713 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 810347794 BMEBFYBUWIUFEG-SJLPKXTDSA-N 283.415 3.541 30 20 CHED C=C[C@H]1CCCCN1c1cc(C(F)F)nc(SC)n1 566485135 ZJMCJTFZJIMKDZ-VIFPVBQESA-N 285.363 3.681 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCc2ccccc2C1 483961350 PGGDJDYIPZZHQK-GOSISDBHSA-N 294.373 3.687 30 20 CHED CC1CC(=NOCc2ccc(F)cc2Br)C1 814909747 NGXRWACKLGNAEI-UHFFFAOYSA-N 286.144 3.891 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](CC)Oc1ccccc1Cl 481320824 HPRZEAJKVRSSSH-CQSZACIVSA-N 295.810 3.922 30 20 CHED C=CCC1(C(=O)N2CCC(C3CC3)CC2)CCCC1 650312284 INGIBIXPXYNUIN-UHFFFAOYSA-N 261.409 3.772 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2CC2CCCCC2)nc1 571738379 AMQZRZMXQQVMQF-SFHVURJKSA-N 283.419 3.888 30 20 CHED CC(=NOC1CCC1)c1ccc(F)cc1OC(F)F 812237628 AALVNJKOGDYBQF-UHFFFAOYSA-N 273.254 3.720 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(Cl)ccc1F 815314601 ZMLFPSJUAVIRAK-UHFFFAOYSA-N 278.657 3.734 30 20 CHED C=CCCCCCCCNC(=O)NC[C@H]1CCSC1 811913758 VSMPKZLWIAHTBP-CQSZACIVSA-N 284.469 3.565 30 20 CHED C=CCN(C)C(=O)Nc1ccc2c(c1)CCCCC2 650424002 LWEJOSGXBDPXJS-UHFFFAOYSA-N 258.365 3.605 30 20 CHED C[C@H](NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1ccncc1 819815100 LXVHYNPNOKOGJZ-TXUJKZCJSA-N 269.392 3.544 30 20 CHED C#C[C@H](N[C@@H]1CC[C@H]1C1CC1)c1ccc(Cl)cc1 811517606 XLUFSVMEODUHTB-HRCADAONSA-N 259.780 3.793 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)[C@@H](C)c1ccccc1 819816204 HCPWIRDCTCZHHB-HIFRSBDPSA-N 267.376 3.912 30 20 CHED C=CCC[C@H](O)CN1CCC(c2ccc(Cl)cc2)CC1 481837267 JHEAKCYCGMVTCZ-KRWDZBQOSA-N 293.838 3.847 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)c1ccc(OC)cc1 488879689 PKBYESJRVHNWQC-ZBFHGGJFSA-N 287.403 3.756 30 20 CHED Cc1cc2c(cc1C)C(=NNc1ccccc1F)CO2 814789697 MCPOKNNNBKILBM-UHFFFAOYSA-N 270.307 3.651 30 20 CHED CC(C)CC[C@H]1CCCC1=NNC[C@H]1CCSC1 811659815 ZHSHYTOIQZIORF-ZIAGYGMSSA-N 268.470 3.921 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)C1(OC)CCOCC1 817419089 ATYKTDINXVEOAA-CVEARBPZSA-N 283.456 3.685 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)NCC1(C#N)CCC1 574862502 DSBKCXXUDMKOIF-UHFFFAOYSA-N 299.418 3.611 30 20 CHED FC(F)(F)c1cccnc1NN=C1CCCc2occc21 814801373 IFZRMEOAXIFASO-UHFFFAOYSA-N 295.264 3.846 30 20 CHED CC#CCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl 573039079 DPTBHUVTFSCMCR-UHFFFAOYSA-N 295.169 3.570 30 20 CHED CCc1cnccc1C(C)=NNc1ccc(F)c(F)c1F 814945038 ISDAMZZOTUWPAY-UHFFFAOYSA-N 293.292 3.897 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C(=O)O)c1cccc(Cl)c1 659801587 HECITVYNMHTROT-ZNMIVQPWSA-N 291.778 3.649 30 20 CHED C#Cc1cccc(N(C)C(=S)Nc2ccccc2F)c1 728448658 YUIIIDSFSYFJRF-UHFFFAOYSA-N 284.359 3.640 30 20 CHED CC(=NOC/C=C\Cl)[C@H](C)Cc1ccccc1[N+](=O)[O-] 811669297 CWJLKTLFINMYLX-OTJDBCOKSA-N 296.754 3.918 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@](C)(C#N)CC 570180937 YBEMBVKSMFPZBW-ZBFHGGJFSA-N 264.413 3.791 30 20 CHED CC(C)(CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC1 576683764 SMELFYJIERJCQF-DLBZAZTESA-N 296.414 3.604 30 20 CHED CCc1cccc2c(C=NOC/C=C/Cl)c[nH]c12 811670579 WDHJRVKWPPPFPY-ZFENKPHASA-N 262.740 3.833 30 20 CHED N#CCCCCCC(=O)Nc1cccc([N+](=O)[O-])c1Cl 813242329 PPEHAIVYWKRXAH-UHFFFAOYSA-N 295.726 3.661 30 20 CHED C=CCNC(=S)N[C@@H](CCCCC)c1ccccc1 727980332 NSLQQMBEXDDLKZ-HNNXBMFYSA-N 276.449 3.958 30 20 CHED C=C(CNCc1nc(CCC)cs1)c1ccccc1 494312072 MPVCQEBNTQJCBK-UHFFFAOYSA-N 272.417 3.899 30 20 CHED C(/C=C/c1ccccc1)=NNCCCOc1ccccc1 729147499 FHTRQXKVNAPVIL-RFGHJEIASA-N 280.371 3.744 30 20 CHED CN(CCCN(CCC#N)Cc1ccco1)c1ccccc1 578502097 GLLIVELPUSNXKD-UHFFFAOYSA-N 297.402 3.522 30 20 CHED Cc1ccc([C@H](C)N(C)c2ncccc2C#N)c(C)c1 498848935 GLUCUFLGNRPHSY-AWEZNQCLSA-N 265.360 3.768 30 20 CHED N#Cc1cc(F)ccc1COC(=O)CCC1CCCC1 728613529 NFVLUJONTOGMON-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCC1(F)F 820969744 QCHKJZARCXDIGK-NWDGAFQWSA-N 259.340 3.530 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(SC)ccc1Cl 824478138 JDNNKNAWMPRBNI-VIFPVBQESA-N 282.796 3.547 30 20 CHED C(=NO[C@H]1CCCCO1)c1cccc(Oc2ccccn2)c1 905457094 MXTTXVYPMFURBG-KRWDZBQOSA-N 298.342 3.751 30 20 CHED CSc1ccc(N(C)Cc2cccc(C#N)c2)cc1 497448301 WCFLFBFJOPRDLR-UHFFFAOYSA-N 268.385 3.917 30 20 CHED CC(=O)c1c(C)cc(C)c(CN(C2CC2)[C@H](C)C#N)c1C 661563436 XUGHODNYRCWBJA-CYBMUJFWSA-N 284.403 3.691 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H](C)Cc1ccc(Cl)cc1 736446141 JBXGEHYLLXRSKQ-LBPRGKRZSA-N 296.867 3.653 30 20 CHED C=CCc1cc(OC)cc(CN2CCCCCCC2)c1O 732412608 RCQUFWINOYOCSJ-UHFFFAOYSA-N 289.419 3.895 30 20 CHED C#CCCCOc1cccnc1N[C@@H](C)c1cccc(O)c1 820652560 UJEWGSUFSIUKMT-AWEZNQCLSA-N 296.370 3.753 30 20 CHED CN(C)Cc1ccc(NC2CCC(C)(C#N)CC2)cc1F 823560323 PGWRFBBSNUNBLU-UHFFFAOYSA-N 289.398 3.772 30 20 CHED C=CC[C@@H](NC(=O)/C=C(\C)c1ccccc1)c1ccncc1 734234246 KFJXLNSJDSLNFI-LGHUBQEGSA-N 292.382 3.919 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1)c1csc(C(=O)O)c1 730148986 RHZMGINKIXKNBF-UTCJRWHESA-N 292.743 3.996 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C/c2cccnc2)c1 491450314 VRGCSLNGGQMWIC-CMDGGOBGSA-N 294.354 3.688 30 20 CHED CCn1c(C)cc(C=NNc2cnnc3ccccc23)c1C 733749948 GNMUNWUMXMFOIU-UHFFFAOYSA-N 293.374 3.514 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1O 733081220 RGQGDJYWDWDXIZ-GOPYKCFCSA-N 276.336 3.544 30 20 CHED Cc1cccc2cc(C(=O)N(CCC#N)C(C)C)sc12 589052837 SCHTXKHDQQBRBY-UHFFFAOYSA-N 286.400 3.974 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2cc3n(n2)CCC3)c1 901560218 JBHWXQWXCCCDTA-CMDGGOBGSA-N 296.370 3.513 30 20 CHED Cc1nc(/C=C2/CCCc3cc(C#N)ccc3C2=O)[nH]c1C 901523037 BMHCWNQYEQDNJF-DHDCSXOGSA-N 291.354 3.501 30 20 CHED N#Cc1ccnc(CSCCCOc2ccccc2)c1 901743668 ZDWGHIZRGGBHQM-UHFFFAOYSA-N 284.384 3.656 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CC[C@H](F)C1 583462205 YQRIBGOTBPNINY-QWRGUYRKSA-N 272.245 3.880 30 20 CHED Fc1cccc(NN=C2CCC(OC3CCCC3)CC2)n1 834978261 XGEKGLPRKOZFAZ-UHFFFAOYSA-N 291.370 3.890 30 20 CHED C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(C#N)c1 837901764 GVHNDBNBOZHDLJ-ACJLOTCBSA-N 294.354 3.637 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCCC23CCC3)c1 834918364 VVXDHNKACBKBJV-UHFFFAOYSA-N 259.309 3.717 30 20 CHED C=CC[C@H](NC(=O)c1ccc(CC)cc1)c1ccncc1 734233924 BYTXHVWEQDGYKZ-KRWDZBQOSA-N 280.371 3.691 30 20 CHED CC[C@H](C)CC=Nn1c(S)nnc1-c1ccccc1F 834926991 GLEFIJMGSGWSOQ-JTQLQIEISA-N 292.383 3.643 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C#N)cc2)ccc1C 588599219 NOYVEWGKNUFJLA-YFHOEESVSA-N 277.323 3.771 30 20 CHED C=C(Cl)CN1CCCC[C@@H]1c1ccccc1OC 730062104 JBMMNCSRNPNTLT-CQSZACIVSA-N 265.784 3.975 30 20 CHED CCC(=NN[C@@H]1CCc2c(F)cccc21)c1cccc(N)c1 835022144 WOKDBFZMYJIKKN-GOSISDBHSA-N 297.377 3.799 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(c1)CCCC2=O 833406363 MRQMCGZZQPFLBY-UHFFFAOYSA-N 283.371 3.728 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C(=O)O)cc2)cc(C)c1O 832881076 KRWGROBSBQEQMW-BAQGIRSFSA-N 296.322 3.603 30 20 CHED CCC(=NN[C@H]1CCc2c(F)cccc21)c1cccc(N)c1 835022146 WOKDBFZMYJIKKN-SFHVURJKSA-N 297.377 3.799 30 20 CHED C=CC[C@@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 835324082 PSLMTZLYBCHYOG-YLFCFFPRSA-N 286.371 3.805 30 20 CHED C=CCCCOC(=O)COc1cccc2ccccc12 735523838 RSEKHPAFKQQURB-UHFFFAOYSA-N 270.328 3.728 30 20 CHED Fc1ccc(NN=Cc2ccc(Cl)c(Cl)c2)nc1 731319594 SHCWNCRXUYWNDW-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C=CCC[C@H](N[C@H]1CCCC[C@H]1c1ccccc1)C(=O)O 901692343 LKFMYDIBUGFEBT-ULQDDVLXSA-N 287.403 3.722 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)[C@@H]1CCCC[C@@H]1C 834973268 UYDFRVVFRQBOCZ-NWANDNLSSA-N 266.429 3.736 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Cc1ccccc1CC#N 839893743 XWNVJAXGTINYGT-IRXDYDNUSA-N 298.430 3.626 30 20 CHED CC(=NNc1cccc(Cl)c1F)[C@@H]1C[C@H]2CC[C@H]1O2 834948504 WPHLWVRCEUYZMM-GBIKHYSHSA-N 282.746 3.834 30 20 CHED FC(F)(F)c1ccnc(NN=C2CCCCC2)c1 834983843 VEBHDKSLCHZAPY-UHFFFAOYSA-N 257.259 3.832 30 20 CHED CC(C)C#CC(=O)Nc1ccc(F)cc1OC1CCCC1 830620495 UYQVIBIMBTVYMD-UHFFFAOYSA-N 289.350 3.745 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2C(F)(F)F)C1 839054061 GSHPJIPJNAECID-GHMZBOCLSA-N 297.276 3.945 30 20 CHED C=C1CCC(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)CC1 910296139 KOBRNNCGOHEDPE-JKSUJKDBSA-N 299.370 3.560 30 20 CHED C=CCOCCCN(C)[C@@H](CC)c1ccccc1OC 672577855 LFVWWZDBBYJVRG-INIZCTEOSA-N 277.408 3.671 30 20 CHED C[C@]1(Cc2cccc(F)c2)CCCN1CC1(C#N)CC1 592138574 YIAHYELEVMKQLC-MRXNPFEDSA-N 272.367 3.526 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)OCC(C)(C)CCC#N 835386037 HFYBVSUVPJHTDJ-CHWSQXEVSA-N 251.370 3.542 30 20 CHED CSCC[C@@H](C)OC(=O)c1ccccc1SCC#N 835820568 KYWMPIQCSVKZIF-LLVKDONJSA-N 295.429 3.601 30 20 CHED C[C@H](C#N)N(Cc1nc(-c2ccccc2)cs1)C1CC1 595710512 SCQCPNLUJZIURM-GFCCVEGCSA-N 283.400 3.687 30 20 CHED COCCON=C1C[C@@H](C)C[C@H](c2ccccc2)C1 749861049 AHCBAXXIZWQABF-ZFWWWQNUSA-N 261.365 3.609 30 20 CHED C=C(Cl)CN(C)[C@@H]1C[C@@H](OCC)C12CCCCC2 741808746 FCULFHBZMKLKQK-ZIAGYGMSSA-N 271.832 3.799 30 20 CHED N#CC[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 596328549 HGUBGPQJNFEADN-NSHDSACASA-N 293.292 3.707 30 20 CHED N#CCc1cccc(NC(=O)CCCc2ccsc2)c1 837073762 WEVBNXVTCMVWDZ-UHFFFAOYSA-N 284.384 3.776 30 20 CHED Cc1ccc2c(CCC(=O)OCC3(CC#N)CC3)c[nH]c2c1 745953041 ALFSZTMTBUKVQP-UHFFFAOYSA-N 296.370 3.646 30 20 CHED COCC[C@@H](C)C/N=C/c1c(O)ccc2ccccc12 840709457 DGERSWYOKAJPIE-RNEAKCBISA-N 271.360 3.637 30 20 CHED C[C@H](CC(=O)OCC1(CC#N)CC1)CC(C)(C)C 744279364 JPIUEEDMXBGIQT-GFCCVEGCSA-N 251.370 3.686 30 20 CHED CCCCCCCCCS(=O)(=O)Cc1conc1C 849224655 JTSUAPMDRLFWPO-UHFFFAOYSA-N 287.425 3.648 30 20 CHED N#CC1CCC(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 594504666 RPCUPKHVFKXUSZ-ZUEPYMLJSA-N 299.374 3.502 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C/C=C\c2ccco2)o1 746498607 YAICDTAIYJJUQW-DZTFTPSCSA-N 284.319 3.548 30 20 CHED C=CCCSCCN[C@H]1CCC[C@@H]1CCCF 595060118 RSWGRWUZINUOCK-KGLIPLIRSA-N 259.434 3.804 30 20 CHED Cc1cccc([C@@H]2CCCCN2c2cc(C#N)cnn2)c1C 596143954 XQYAXVXGVBTHDM-KRWDZBQOSA-N 292.386 3.697 30 20 CHED C[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)[C@H](C)[C@@H]1C 842167182 RZQITRZZOSYUET-JHJVBQTASA-N 292.810 3.719 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc2c(c1)COC2 743435701 KUAMTJWNJJKZSU-ZDUSSCGKSA-N 280.371 3.792 30 20 CHED CCC(C#N)(CC)C(=O)NCC(C)(C)c1cccc(C)c1 599199842 SKTROUGJKYGBRV-UHFFFAOYSA-N 286.419 3.719 30 20 CHED C=CC1CCN(C(=O)COCCCCCCCC)CC1 741571244 JSLXRQKVXWKHCS-UHFFFAOYSA-N 281.440 3.788 30 20 CHED CCN(C(=O)C/C=C\c1ccc(C(C)C)cc1)[C@H](C)C#N 598356988 CDENQLJAEBIERM-IDTUSYRASA-N 284.403 3.974 30 20 CHED N#C[C@@H](C(=O)C1(F)CCCCC1)c1nc(C2CC2)cs1 842944124 ITRQFPSGGIZFMV-NSHDSACASA-N 292.379 3.869 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1c(F)cc(C)cc1F 598822762 GWMCVSORCCOSTJ-UHFFFAOYSA-N 294.345 3.866 30 20 CHED CCC(=NNc1ncnc2ccsc12)[C@H]1C[C@@H]1C 841631181 WFIKATJTSIBTDJ-IUCAKERBSA-N 260.366 3.525 30 20 CHED COCCOCc1cccc(-c2ccc(C#N)c(C)c2)c1 592986800 QHERANMPVLZSSX-UHFFFAOYSA-N 281.355 3.697 30 20 CHED C=CCCC(C)(C)NC(=O)CC1(C#N)CCCCC1 598523022 WNPBHGOUFNBSNJ-UHFFFAOYSA-N 262.397 3.712 30 20 CHED Fc1ccc(F)c(CNN=Cc2coc3ccccc23)c1 746565494 QBBBIPHATHGJSN-UHFFFAOYSA-N 286.281 3.835 30 20 CHED CCCCO[C@H]1CC(=NNc2nccnc2Cl)C1(C)C 747631103 AAVFPDJGCDPMAL-NSHDSACASA-N 296.802 3.513 30 20 CHED Cc1ncc(CSCCc2ccc(C#N)cc2)s1 596337838 BWCVLIQVCXYWEP-UHFFFAOYSA-N 274.414 3.799 30 20 CHED Fc1ccc2c(c1)C(=NNc1ccccc1Cl)CO2 918153413 FALNKNMTUKMMTO-UHFFFAOYSA-N 276.698 3.688 30 20 CHED C=C(C)c1cccc(-c2nc(C)c(C(=O)OCC)[nH]2)c1 592989969 UMPBXUOLPSTRJE-UHFFFAOYSA-N 270.332 3.595 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CCc2ccc(F)cc21 748600025 FBHIAIVHODLMGQ-HNNXBMFYSA-N 282.318 3.805 30 20 CHED CC(CCCCC#N)=NNc1nc2cc(F)c(F)cc2[nH]1 841619638 NLJLCGUAADHLIW-UHFFFAOYSA-N 291.305 3.713 30 20 CHED N#Cc1ccc(CCN2CCC[C@@H]2c2ccc(O)cc2)cc1 595359562 MDSMWOAOXWNXFD-LJQANCHMSA-N 292.382 3.643 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC(C)(C)C1 594008953 RKIXYIZXJXKWTM-PBHICJAKSA-N 298.430 3.822 30 20 CHED CC[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 743340837 LTYXEMVHKWAYLO-FDIDITGRSA-N 298.342 3.913 30 20 CHED CC(C)[C@H]1CCCC1=NNc1nc2ccccc2[nH]1 747741355 SFSUSFCEFJZVLB-LLVKDONJSA-N 256.353 3.787 30 20 CHED C#C[C@H](OC(=O)C1(C)CCCC1)c1ccc(F)cc1 842412792 QEIDYAOVLRTYKO-AWEZNQCLSA-N 260.308 3.624 30 20 CHED C[C@H](c1ccccc1)N1CC[C@@H](/N=C\c2ccccc2O)C1 920174991 SDGTWQSRTZUIBQ-NOXZPDHRSA-N 294.398 3.647 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1cccc(C(F)(F)F)c1 751517011 OHNBUAJQASXYBE-NSHDSACASA-N 286.297 3.920 30 20 CHED C#CCCOC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 859065526 FVCFMDVGOKGOKT-CQSZACIVSA-N 298.342 3.515 30 20 CHED Cc1csc(C=NNc2ccccc2Cl)n1 755473040 RAWQMSJWOURSOR-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CC(C)CSCCCOC(=O)C1(C#N)CCCCC1 751687655 OPCLYQNYVGFHMX-UHFFFAOYSA-N 283.437 3.783 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1nc(Cl)cs1)C2 759086054 ZDGCICXYRCQYQU-WEVVVXLNSA-N 291.759 3.628 30 20 CHED CCO[C@H]1CC(=NNc2ccc(OC)cc2)C12CCCC2 750946470 RPMMXJANSIFRTQ-INIZCTEOSA-N 288.391 3.832 30 20 CHED C/C(=C\C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 921276199 DUDSJPFOHZRHPK-ZRDIBKRKSA-N 280.302 3.739 30 20 CHED CC(C)CCOC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 859198657 HNWZFJHGUMDUHE-ZDUSSCGKSA-N 274.364 3.734 30 20 CHED Cc1nc[nH]c1C=NN=C(c1ccccc1)c1ccccc1 755467754 MOJTWQFZQAAZJY-UHFFFAOYSA-N 288.354 3.590 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCOc1ccccc1Cl 925604814 ACTNMKABIKUSOA-LBPRGKRZSA-N 280.799 3.637 30 20 CHED C=C(Br)CNC(=O)[C@@H](CCCCC)C(C)C 755237942 HQLCRJRZDZHQEJ-LBPRGKRZSA-N 290.245 3.864 30 20 CHED CC#CCCNC(=O)c1cc2c3ccccc3n(C)c2s1 756150484 SXABFKYFBOMIRF-UHFFFAOYSA-N 296.395 3.536 30 20 CHED CCCCCCOc1ccc(CNC[C@H](C)C#N)cc1 757906087 IOOLKPXHHCQPCV-OAHLLOKOSA-N 274.408 3.895 30 20 CHED CC(C)c1ccc2cc(C(=O)N[C@@H](C#N)C(C)(C)C)[nH]c2c1 754391858 KZPSCMCQROSJTK-INIZCTEOSA-N 297.402 3.959 30 20 CHED CCCn1c(C=NN2CCCC[C@@H]2C)nc2ccccc21 853381304 ZWYYLUHVCBKMTN-AWEZNQCLSA-N 284.407 3.655 30 20 CHED C=C(C)[C@H](CC(=O)OCc1csc(CCC)n1)OCC 756478352 DKUNYQJGSHTGBY-ZDUSSCGKSA-N 297.420 3.510 30 20 CHED CC[C@H](C)N(CC)C(=O)Nc1cc(C#N)cn1C(C)(C)C 853813679 YNAOEWNMKJUZJS-LBPRGKRZSA-N 290.411 3.767 30 20 CHED CC(C)Cc1ccc(CCC(=O)OCCCC#N)cc1 751852524 GTHQBTUTNQGABV-UHFFFAOYSA-N 273.376 3.665 30 20 CHED C=CCN(C(=O)NCC1(C)CCCCC1)C(C)C 757743155 XJJJXWJATQGICO-UHFFFAOYSA-N 252.402 3.563 30 20 CHED Cc1ccnc(NN=C2CC(C)(c3ccccc3)C2)c1 755901399 VSLSOMGIQRFZRL-UHFFFAOYSA-N 265.360 3.910 30 20 CHED C=C(Cl)CNC(=O)/C(C)=C\c1ccccc1Cl 755911791 FZIAFAAIYQQQHJ-CLFYSBASSA-N 270.159 3.612 30 20 CHED Cn1cnc2cc(/C=C3/Cc4c(F)cccc4C3=O)ccc21 761201945 YBJJWAZGCAFSJJ-GHXNOFRVSA-N 292.313 3.535 30 20 CHED CCCCCCCNC(=O)C[C@H]1CCO[C@H](C(C)C)C1 862357823 IPARNPKASMDLAX-HOTGVXAUSA-N 283.456 3.914 30 20 CHED Cc1ccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)s1 769822633 KVOWOIOJBYXISB-UHFFFAOYSA-N 279.296 3.550 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 935278790 RSHXTDBWDYQWIY-VNQPRFMTSA-N 281.440 3.689 30 20 CHED C[C@H](O)c1ccc(-c2cccc(C3(C#N)CC3)c2)cc1 864550280 QCHCRDLGOCHZOB-ZDUSSCGKSA-N 263.340 3.962 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C=C1CCC(C(C)(C)C)CC1 765416522 JAZRNAPNMOPGRQ-CFMCSPIPSA-N 276.424 3.910 30 20 CHED C#CCCc1noc(COc2ccccc2[C@@H](C)CC)n1 762017687 JNEMJUMVZDLJJI-ZDUSSCGKSA-N 284.359 3.728 30 20 CHED CC[C@@H](C)Oc1ccccc1/C=C\C(=O)OC1(C#N)CCC1 762091623 NPUQHKQVLJEBJK-CFYYFVFUSA-N 299.370 3.867 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 935464150 KTWVVZLLXAXETC-KGLIPLIRSA-N 274.408 3.532 30 20 CHED Cc1ccc(C(=O)O[C@H](C)C#N)c(Sc2ccccc2)n1 768146393 MLYUMGHYHTXNMJ-GFCCVEGCSA-N 298.367 3.610 30 20 CHED CC(C)C(=NNc1ncnc2ccsc12)C1CC1 764836202 WLAQTYBIMTYASQ-UHFFFAOYSA-N 260.366 3.525 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 767101700 FSTWBDKXRMEWKX-OAHLLOKOSA-N 285.431 3.907 30 20 CHED C#CCOc1ccccc1CN1CC[C@H]1c1cccc(F)c1 769506207 DBXWMNBILZKWNF-SFHVURJKSA-N 295.357 3.785 30 20 CHED O=C(CC#Cc1ccccc1)OCCSc1ccccc1 1116829112 BAJAJLKCPUNMBN-UHFFFAOYSA-N 296.391 3.764 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 767091372 KBJCVBVAWVFOLU-HNNXBMFYSA-N 297.398 3.599 30 20 CHED C(/C=C\c1ccccc1)=NNc1ncnc2ccsc12 764840511 JNFZIQSNLCHPGL-DSDGHTGGSA-N 280.356 3.802 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC 872040825 CPGTXPBFKPNSCD-VHSXEESVSA-N 266.366 3.542 30 20 CHED CC(C)CC(=NNCC(F)(F)F)c1cccs1 769809278 AGLUKRZOEHNDPK-UHFFFAOYSA-N 264.316 3.650 30 20 CHED COc1ccc(C(=O)OCCC(C)(C)C#N)cc1C1CC1 769486760 DKTNZVSFKBHJCV-UHFFFAOYSA-N 287.359 3.669 30 20 CHED CN(Cc1ccc(N2CCCCC2)cc1)CC1(CC#N)CC1 877922104 QFIRWXKLDCFORU-UHFFFAOYSA-N 297.446 3.803 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2ccccc2)s1 1116095332 GNFDNSOPVBJZJW-UHFFFAOYSA-N 277.776 3.897 30 20 CHED Cc1cccc2sc(NN=C3C[C@@H](C)n4ccnc43)nc12 872419289 CVPHRDGGRZZZJJ-SNVBAGLBSA-N 297.387 3.582 30 20 CHED CCCC(C)(C)c1nnc(-c2cccc(C#N)c2)o1 1118371643 DPWWUFQTJVHPPS-UHFFFAOYSA-N 255.321 3.686 30 20 CHED N#CCCCC(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 871142454 LARSFCRKCYBOLR-UHFFFAOYSA-N 294.358 3.586 30 20 CHED Cc1cc(C)c([C@@H](C)OC(=O)c2c[nH]c(C#N)c2)c(C)c1 779198683 MHYNDYMZRGFGAX-CYBMUJFWSA-N 282.343 3.730 30 20 CHED CC(Cc1cccc(F)c1)=NNc1cc(Cl)ccn1 777905484 JWPUSCQWJJLPHW-UHFFFAOYSA-N 277.730 3.905 30 20 CHED O=C(O)c1cccc(/C=C/C(=O)c2ccccc2Cl)c1 774107242 WXPVQAGQYMCGIY-CMDGGOBGSA-N 286.714 3.934 30 20 CHED C#CCN(Cc1nc(-c2ccc(C)cc2)cs1)CC1CC1 1117110272 VBEBWYZJVIHQFM-UHFFFAOYSA-N 296.439 3.964 30 20 CHED CCc1ccc(/C=C2\C(=O)Nc3cc(C#N)ccc32)cc1 773158333 BSVGWWWKVFZWKS-SXGWCWSVSA-N 274.323 3.613 30 20 CHED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1CC1(CC#N)CC1 878095660 ABLICSBSFVXRII-HLLBOEOZSA-N 284.403 3.531 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1csc2ccccc12 777662001 UMQINWILBTWHFF-LLVKDONJSA-N 274.389 3.838 30 20 CHED CCn1c(C(C)=NOC2CCCC2)nc2ccccc21 774597953 YUNGFQBGBIVWOI-UHFFFAOYSA-N 271.364 3.739 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc2c1ccn2CC(C)C 773716428 KWRJNHFYZXXRGP-ZDUSSCGKSA-N 284.359 3.756 30 20 CHED C=C1CCC(C(=O)Nc2ccc(OC)cc2C)CC1 888751303 COFJSSSEZSTFRX-UHFFFAOYSA-N 259.349 3.689 30 20 CHED C#CCCCCC(=O)N[C@@]1(C)CCCc2ccccc21 773315307 HULXNZATJAPBRG-SFHVURJKSA-N 269.388 3.548 30 20 CHED CC/C(=C\C(=O)OCC1(C#N)CC1)c1ccc(C)cc1 775858963 DWBASZQZIUTCTQ-GXDHUFHOSA-N 269.344 3.635 30 20 CHED CCC(=NNCCc1ccccn1)c1cccc(Cl)c1 789113521 VIUTUAFMJZLACA-UHFFFAOYSA-N 287.794 3.681 30 20 CHED Cc1ccsc1/C=C1\COc2c(F)ccc(F)c2C1=O 783711763 KDXYFBVBPYHHRC-RMKNXTFCSA-N 292.306 3.993 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC(C)(C)C1 781613779 DOIDCHPRKQHVGX-HNNXBMFYSA-N 287.378 3.614 30 20 CHED CC1(C)C[C@@H](NN=C2CCC[C@H]2c2ccccc2)CCO1 780249294 CODQEIBKMSPLKN-HOTGVXAUSA-N 286.419 3.857 30 20 CHED C[C@@H](C=NNc1ncncc1Cl)CCc1ccccc1 780282984 SUUHSUYIFITANW-GFCCVEGCSA-N 288.782 3.797 30 20 CHED N#Cc1cc(F)ccc1N[C@@H](c1ccccn1)C1CC1 895794414 WILWWNVUZIVASK-MRXNPFEDSA-N 267.307 3.656 30 20 CHED Cc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c(O)c1 787024609 BZESUEQTWSDESL-FZKQIMNGSA-N 292.382 3.910 30 20 CHED COc1ccc(NN=C2CCC(C)(C)C[C@@H]2C)nc1 780267678 NSHZBVWHWGIZEH-NSHDSACASA-N 261.369 3.704 30 20 CHED CCCNN=Cc1cnc(-c2ccc(Cl)cc2)s1 788991403 KWDCABJJFHTGBH-UHFFFAOYSA-N 279.796 3.797 30 20 CHED Cc1ccc(-c2nc([C@H]3CC3(Cl)Cl)no2)cc1C#N 896813297 MMPYERNDDFSQKB-SNVBAGLBSA-N 294.141 3.578 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(Cl)cc1F 786610315 KPSQPHHWDQUXRC-CYBMUJFWSA-N 256.704 3.987 30 20 CHED CCC(=NOC[C@H]1CCOC1)c1cccc(Cl)c1 788036876 OOZKHFNLLKEJIK-NSHDSACASA-N 267.756 3.507 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NNc2ccccn2)C1 783511659 KEAYNWIBHQYTQM-SECBINFHSA-N 257.259 3.602 30 20 CHED O=C1/C(=C/c2ccccc2Cl)Cc2cc(O)ccc21 780186964 RKPGDUTZUNYLAU-KPKJPENVSA-N 270.715 3.868 30 20 CHED C=C1CC(c2noc(-c3oc(C(C)C)nc3C)n2)C1 896878237 YHFWAFMIIREHEP-UHFFFAOYSA-N 259.309 3.590 30 20 CHED CC1(C)CCC[C@@H](NC(=O)/C=C/c2ccccc2C#N)C1 785607454 UMRSFLHXWUQLRQ-ZNFPLGDCSA-N 282.387 3.656 30 20 CHED C#Cc1cccc(NCc2nc3ccc(OC)cc3s2)c1 788966635 RALJEQIYNPNRBA-UHFFFAOYSA-N 294.379 3.898 30 20 CHED Cc1ccc2c(c1)CCN(c1ccc(F)cc1C#N)C2 302734096 VOEJPRRXSFNBNZ-UHFFFAOYSA-N 266.319 3.569 30 20 CHED N#Cc1cc(F)cc(-c2cccc(Br)n2)c1 85634193 UCPKWHSRAAYFMB-UHFFFAOYSA-N 277.096 3.522 30 20 CHED N#CCCn1ccc(N[C@H]2CCc3cc(Cl)ccc32)n1 795304858 XSFQJUAAECXYMK-AWEZNQCLSA-N 286.766 3.550 30 20 CHED CCC(C#N)(CC)c1nc([C@@H](C)c2cccc(F)c2)no1 897070005 RAXMKZBHVCXYSX-NSHDSACASA-N 287.338 3.942 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](C)CC[C@H]1c1ccccc1 795136303 MWVQQLPYRDCCOV-HOCLYGCPSA-N 288.460 3.910 30 20 CHED C/C(=C\Cl)CSc1ccc(C#N)cc1[N+](=O)[O-] 797829831 QUOWXACOJSQBAK-VMPITWQZSA-N 268.725 3.701 30 20 CHED CCCCCC[C@@H](CC)C(=O)Nc1c(C#N)c(C)nn1C 892624195 LBVVKDVZQVYODB-CYBMUJFWSA-N 290.411 3.535 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccnn2-c2ccc(F)cc2)o1 794937003 DRZPEGJNQMXONY-FPLPWBNLSA-N 296.301 3.809 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1cccc(C(F)F)c1 791765780 VEEJMDVHWACQDI-MRXNPFEDSA-N 298.329 3.896 30 20 CHED CC[C@@](C)(C#N)C(=O)OCC1CCC(C)(C)CC1 797151295 QMHPCBIAAUJOEZ-HNNXBMFYSA-N 251.370 3.686 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1c2ccccc2C[C@@H]1O 793534172 OMVMJUGWGKIFAL-WBAXXEDZSA-N 273.420 3.759 30 20 CHED CC(C)(C)CCCN1C(=O)CS/C1=C/C(=O)C(C)(C)C 799173233 CUKNQCFVFBDHQF-GXDHUFHOSA-N 297.464 3.845 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C\c1ccc(C#N)s1 799897842 SSCJTJZDXFWYPA-QPEQYQDCSA-N 280.352 3.729 30 20 CHED CC(Cn1nc(C)cc1C)=NO[C@H](C)c1cccc(C#N)c1 794715713 LXEPIOLUIKEXCT-OAHLLOKOSA-N 296.374 3.525 30 20 CHED C=C(CNCc1c(O)ccc(Cl)c1F)c1ccccc1 790962834 USQWOVDRQKYMKJ-UHFFFAOYSA-N 291.753 3.988 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)c1cc(C#N)ccn1 62016657 UGRWERAZOTYRAT-NSHDSACASA-N 271.751 3.804 30 20 CHED C#CCOc1cc(F)ccc1NCCCc1ccc(C)nc1 792853082 NTTWBRKAIYZZKU-UHFFFAOYSA-N 298.361 3.586 30 20 CHED COc1cc(F)ccc1NN=C[C@]1(C)CCCS1 793052553 VQKUCJOKPHJXNP-ZDUSSCGKSA-N 268.357 3.518 30 20 CHED CC[C@@H](C)CON=Cc1cn(C)nc1-c1cccs1 793147136 ZGDVQGIQEDUQAL-LLVKDONJSA-N 277.393 3.545 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NNCCC(F)(F)F 794546716 VDPGROGORMKVHS-UHFFFAOYSA-N 290.304 3.922 30 20 CHED CCCCCCCOc1ccccc1CS(C)(=O)=O 795248054 QMPTVDUDNVXELU-UHFFFAOYSA-N 284.421 3.580 30 20 CHED Cc1cccnc1NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 790187511 WWWUISLHLUWUTJ-SYQHCUMBSA-N 255.365 3.614 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)C[C@@H](CC#N)c2ccccc2)C1 796817740 BKFNSEHTFDKFDG-FVQBIDKESA-N 271.360 3.806 30 20 CHED COc1ccc(C#N)cc1NCc1cc(F)ccc1C 779592014 ZCSHWMSSFSWMNT-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@H]1C[C@H](CCNc2cc(C#N)cnn2)CC(C)(C)C1 1163192406 WODRLNZCSUINTR-STQMWFEESA-N 272.396 3.613 30 20 CHED Cc1cccc(CN(CC(C)C)c2cc(C#N)nc(C)n2)c1 1162278158 SFAMWINJISDHOK-UHFFFAOYSA-N 294.402 3.628 30 20 CHED CCC1(CC)CCN(CCc2ccc(C#N)cc2)C1 1167657424 VDZUZIINUYUPDB-UHFFFAOYSA-N 256.393 3.613 30 20 CHED CC[C@@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H]1C 1312339721 ZQGFNQVTBQDYNW-INMHGKMJSA-N 299.418 3.861 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1ccc(C)s1 1317744449 UXKJCBBINPIKJD-ALCCZGGFSA-N 274.341 3.667 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 1319316124 PPSRDIHDWFOJPA-OKZBNKHCSA-N 281.399 3.513 30 20 CHED Cc1ccccc1C(F)(F)C(=O)Oc1ccc(C#N)cc1 1319843528 UKVKILHWXQBVTA-UHFFFAOYSA-N 287.265 3.564 30 20 CHED C#CCCCCCC(=O)N1CCC[C@]1(C)CC(C)C 1324486291 IGVVIXHUDIWVTJ-QGZVFWFLSA-N 263.425 3.997 30 20 CHED CC1(C)CCCN(Cc2ccc3c(c2)CCC3)[C@@H]1C#N 1645514718 XRUNJXNZJPIOCF-QGZVFWFLSA-N 268.404 3.689 30 20 CHED C#CCCCCCC(=O)N1CCC(Nc2ccccc2)CC1 1325074814 UIGAUXSOMJBOKT-UHFFFAOYSA-N 298.430 3.673 30 20 CHED C[C@H](NC(=O)CC#Cc1ccccc1)c1ccc(F)cc1F 1327105881 HIWQXTPIYOJPMG-ZDUSSCGKSA-N 299.320 3.584 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1cccc(CC#N)n1 1325710267 NXKAMDRYMVYDAG-MRXNPFEDSA-N 263.344 3.556 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](C)n2cccc2)CCCC1(C)C 1320947757 LFEUOPGHMSONFV-HUUCEWRRSA-N 274.408 3.642 30 20 CHED C/C(=C\C(=O)O[C@@H](C#N)C1CCCCC1)c1ccco1 1327128935 UOEZSGPYGGEEEH-PABFRNLHSA-N 273.332 3.699 30 20 CHED Cc1cc(C#N)ccc1CSCc1ccnc(N(C)C)c1 1338387630 OXMHGJKHZTWQDV-UHFFFAOYSA-N 297.427 3.761 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1cnn(C(C)C)c1)C2=O 1251798450 BLUZKHOXBMGUKG-VIZOYTHASA-N 296.370 3.740 30 20 CHED C=C(CC)CNC(=O)N(CCc1ccccc1)C(C)C 1330864394 ICYPASBNSJKNHI-UHFFFAOYSA-N 274.408 3.615 30 20 CHED CCC[C@@H](NC(=O)CC#Cc1ccccc1)C(C)(C)C 1348312935 KFEHFIXSDZTAPR-MRXNPFEDSA-N 271.404 3.759 30 20 CHED C=CC(C)(C)CC(=O)NCCc1nc(C(C)(C)C)cs1 1262014335 FCDGYAWFEZKOKO-UHFFFAOYSA-N 294.464 3.702 30 20 CHED N#CC1(CCCCN[C@H](CCO)C2CCCCC2)CCC1 1354485113 PZLGBTLZOORWLM-QGZVFWFLSA-N 292.467 3.771 30 20 CHED C=C(C)CCC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 1353609854 WCVNOQYMPXAQHV-NEPJUHHUSA-N 277.330 3.828 30 20 CHED C=CCCC(=O)COC(=O)C1(C(F)(F)F)CCCCC1 1350087338 ZFMWIGBAIWHYLA-UHFFFAOYSA-N 292.297 3.578 30 20 CHED CSc1c(F)cccc1NC(=O)c1ccc(C#N)cc1 1528386484 KUKVHNBNTRAKSW-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C=C(CC)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 1527659363 YKGJIOHNKWYVLX-OAHLLOKOSA-N 261.340 3.749 30 20 CHED N#Cc1ccc([C@@H](SCc2ccccc2)C(=O)O)cc1 1601100062 ZKWYJFNTCIICFO-OAHLLOKOSA-N 283.352 3.617 30 20 CHED CC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1noc(C)n1 1612084326 MCSBWRPZFRLAMM-LBPRGKRZSA-N 299.378 3.505 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)c1cc2ccccc2o1 1617776751 UDSYSYFOSBIYCZ-JSGCOSHPSA-N 284.359 3.687 30 20 CHED CCC[C@@H](Nc1cc(C#N)nc(CC)n1)C1CCCC1 1559209723 LMPXKUPUEYAXNS-CQSZACIVSA-N 272.396 3.681 30 20 CHED CCCC[C@H](CCC)CNc1nc(C)cc(C#N)n1 1642407053 HKLOSCRKNXTQLN-ZDUSSCGKSA-N 260.385 3.675 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC1C(C)(C)C1(C)C 1562483733 JBVMBIKMBWBXTQ-UHFFFAOYSA-N 285.391 3.670 30 20 CHED N#Cc1cnc(Sc2cc(F)ccc2F)c(F)c1 1641995921 QKQYWLXFWBFZGH-UHFFFAOYSA-N 266.247 3.522 30 20 CHED N#CCc1ccc(NCc2ccc3cc[nH]c3c2)cc1 229630240 GRGPRLKMUZGWFX-UHFFFAOYSA-N 261.328 3.846 30 20 CHED Cc1csc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)c1 1587821203 JXMHIBDDTGONCS-UHFFFAOYSA-N 290.775 3.858 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(F)cc1F 1597367199 RKDUPIALIPHJIK-DCAQKATOSA-N 290.313 3.601 30 20 CHED C=C(Cl)CNCc1cccc(Oc2ccccn2)c1 1661539882 INLSQBATQHACMU-UHFFFAOYSA-N 274.751 3.716 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2C#N)C1 1667625183 UTXOZLFYVYNTHD-VXGBXAGGSA-N 289.354 3.645 30 20 CHED C=CCC1(C(=O)O)CCN(CC[C@H]2CCC[C@H](C)C2)CC1 1776160696 VLTKEWFXGUDKAH-JKSUJKDBSA-N 293.451 3.946 30 20 CHED CC1(F)CCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 1776076721 DGJCZLAZTAVGTE-UHFFFAOYSA-N 282.290 3.594 30 20 CHED O=C(O)c1cccc(NN=Cc2cccc3ccoc23)c1 1776037175 FKXYZUJKDGPHSE-UHFFFAOYSA-N 280.283 3.577 30 20 CHED CC(C)C[C@H]1CCCC1=NNc1cccc(C(=O)O)c1 1776038245 ZCGSCEFQFGMJPI-GFCCVEGCSA-N 274.364 3.999 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 1776157366 FSSRSYPIJGWJJF-LIRRHRJNSA-N 299.414 3.589 30 20 CHED C=CCN(C)C(=O)c1sccc1-c1ccccc1 161343140 DICKKKQNTZQVRC-UHFFFAOYSA-N 257.358 3.673 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 162358987 FAIJRBXTBKZOKI-BLLLJJGKSA-N 284.384 3.586 30 20 CHED Cn1cc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cn1 206442704 POISCLSOBQUOTO-RQOWECAXSA-N 286.718 3.716 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(C)cc(F)c1 152899884 OGFPWBAWSDMWKF-UHFFFAOYSA-N 250.317 3.564 30 20 CHED C=C(C)CNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 153034461 IZQNIQLNKNZSDU-CQSZACIVSA-N 265.784 3.772 30 20 CHED C=CCOc1ccc(C(=O)Nc2scnc2CC)cc1 157550207 HOTALOOMDFIEEY-UHFFFAOYSA-N 288.372 3.523 30 20 CHED O=C1/C(=C/c2cnc(C3CCC3)s2)Oc2cc(O)ccc21 157230700 ATFYFMNSIHTRPM-AUWJEWJLSA-N 299.351 3.732 30 20 CHED C#CCOc1ccccc1CNc1cc(F)cc(F)c1 20021350 VHDWUSUWKMETMW-UHFFFAOYSA-N 273.282 3.589 30 20 CHED N#Cc1cccc(NCc2nc(C(F)(F)F)cs2)c1 151513559 OBSUPXPJSWLGLB-UHFFFAOYSA-N 283.278 3.646 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)C1CCCCC1 165278522 JFFKLCWSQCAUPY-CQSZACIVSA-N 256.393 3.925 30 20 CHED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CC#N 274700026 UDVFMQVMEJVAGX-CYBMUJFWSA-N 284.384 3.752 30 20 CHED C=CCCCCNc1ccc([N+](=O)[O-])c2cccnc12 302237118 GITHWERSJMDBHX-UHFFFAOYSA-N 271.320 3.911 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](CC(C)(C)C)C1 307770429 FHZBAPXBNXURBV-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 506688557 HZLOAFALNMWDPU-KLHDSHLOSA-N 276.424 3.601 30 20 CHED N#CCCCNCc1ccc(F)c(Cl)c1Cl 309502420 LZGLPHINVPDHSE-UHFFFAOYSA-N 261.127 3.526 30 20 CHED CCOc1cc(C#N)ccc1OCc1csc(C)c1 311906501 BIEUDWQAPPXFQI-UHFFFAOYSA-N 273.357 3.906 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2C)C1 617782875 OGEZDYOXLSFVPP-CYBMUJFWSA-N 261.340 3.562 30 20 CHED C[C@@H](C#N)CN(C(=O)c1cc2cscc2s1)C1CC1 528890645 HMWKIDPFQQBHNL-VIFPVBQESA-N 290.413 3.727 30 20 CHED C=C(C)CCN[C@H](C)c1cnn(Cc2ccccc2)c1 351979780 WTIAGWVUTUIPSN-OAHLLOKOSA-N 269.392 3.548 30 20 CHED CCCCCCCCCN1C[C@H](C)[C@@](C)(C(=O)O)C1 710221801 BMAWQORQKDRWQP-HOCLYGCPSA-N 269.429 3.780 30 20 CHED CC(C)(C)C1CC(NCc2ccc(CC#N)cc2)C1 592518129 HDCWVCXGEJIHDP-UHFFFAOYSA-N 256.393 3.667 30 20 CHED C=CCCCCCCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 388513310 PDUMTNHDCVPKCW-ARFHVFGLSA-N 265.441 3.916 30 20 CHED CC(C)(CNCc1cccc(C#N)c1)c1ccc(F)cc1 103172351 DIDNUIDDKDYRJM-UHFFFAOYSA-N 282.362 3.765 30 20 CHED COc1ccccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 25438106 QNMRMLUPOSCACV-UHFFFAOYSA-N 294.354 3.749 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@H]2C2CCCC2)c1 56035291 AGECCBRWDYABSU-KRWDZBQOSA-N 282.387 3.547 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)C1CCCC1 172210487 NMRWCVMZRXFYOJ-LBPRGKRZSA-N 271.364 3.567 30 20 CHED CC(C)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 102983274 XXWFXVPONRNFPR-UHFFFAOYSA-N 294.354 3.831 30 20 CHED N#Cc1csc(CNCc2cc(-c3ccccc3)on2)c1 177694175 JWNHUPZWMAXKRR-UHFFFAOYSA-N 295.367 3.565 30 20 CHED N#Cc1cccc(CSc2cccc(C#N)c2)c1 177111678 NQONITIOJIWXJY-UHFFFAOYSA-N 250.326 3.722 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 107581531 KVXPOOAAAJBBAI-ZHALLVOQSA-N 292.382 3.752 30 20 CHED Cc1cccc(N(C)C(=O)c2cc(C#N)cs2)c1C 176972452 PDTGGLGTBLCCJT-UHFFFAOYSA-N 270.357 3.513 30 20 CHED C=CCN(Cc1cccs1)C(=O)Cc1ccc(C)cc1 61075206 SZQLCLAJIHYZOB-UHFFFAOYSA-N 285.412 3.814 30 20 CHED CCCc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 67477741 NFMLKOAOWMFMCL-UHFFFAOYSA-N 278.355 3.957 30 20 CHED C=CCCCC(=O)Nc1ccc(C)c(OC(F)F)c1 175681946 CVXWFDBEERDNEO-UHFFFAOYSA-N 269.291 3.891 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc2ncsc2c1 177574541 FGFJVZLSGJHVBA-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N1CCC(C#N)CC1 114321838 IMLLUFZGYNBJHW-INIZCTEOSA-N 276.424 3.745 30 20 CHED Cc1cc(C)c2c(c1)N(C(=O)c1ccc(C#N)cc1)CCC2 66476727 KBYXJDVNKDFWTI-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C#C[C@H](C)OC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 174467493 MOULTQMXVMUXMC-VUCTXSBTSA-N 264.324 3.508 30 20 CHED C=CCCC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 116031971 APUNLCKRHOYVKE-HXUWFJFHSA-N 293.432 3.639 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CCCc2ccccc21 60815471 UTMMCSDGEXIWCK-LJQANCHMSA-N 291.394 3.866 30 20 CHED N#Cc1ccc(OCc2csc(Cl)n2)c(Cl)c1 310409375 WJHUADVBUKCZHG-UHFFFAOYSA-N 285.155 3.901 30 20 CHED C[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C)C1 173901097 KVJVYBPRPSUFJP-HZSPNIEDSA-N 295.386 3.576 30 20 CHED O=C(/C=C/c1nc(-c2ccccc2)c[nH]1)c1ccc(O)cc1 171909532 BLYUGAOLBRKJAV-ZHACJKMWSA-N 290.322 3.678 30 20 CHED C=CCCCC(=O)Nc1ccc(SC(=O)N(C)C)cc1 175549483 XTUUPEHLWCEIFT-UHFFFAOYSA-N 292.404 3.755 30 20 CHED C#CCCCCC(=O)Nc1nc(-c2ccccc2)cs1 179646460 SDDGRNGIZZAQGF-UHFFFAOYSA-N 284.384 3.942 30 20 CHED C[C@@H](CC#N)NC(=O)C1(Sc2ccccc2)CCCC1 116739219 VCIFXXZMABWIEH-ZDUSSCGKSA-N 288.416 3.510 30 20 CHED N#Cc1ccc(OCc2ncc(-c3ccccc3)o2)cc1F 66750712 MDHMDRWTWQAGSK-UHFFFAOYSA-N 294.285 3.931 30 20 CHED CC(C)(C)c1ncc(CNCc2ccc(C#N)s2)s1 421357157 ZMWPIZQAMXRRDE-UHFFFAOYSA-N 291.445 3.664 30 20 CHED C=C[C@H](CC(=O)NCc1ccsc1)c1ccccc1 178934072 FLQXIGFZFVMVPF-CQSZACIVSA-N 271.385 3.724 30 20 CHED COc1cc(Oc2nc3ccccc3s2)ccc1C#N 302873842 DMJZVGVQLQVDSH-UHFFFAOYSA-N 282.324 3.969 30 20 CHED Cc1noc(C)c1/C=C1\CCc2cc(F)ccc2C1=O 176940514 YCWWWSOQIJMIOJ-XYOKQWHBSA-N 271.291 3.643 30 20 CHED C#CCOc1ccccc1CNc1cc(C)ccc1OC 21812823 QGILICFISLDXGE-UHFFFAOYSA-N 281.355 3.628 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(OC(F)(F)F)c1 116999505 KQHRGUAPCFSROF-SECBINFHSA-N 288.269 3.671 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCC[C@@H](C)C1 178375968 JLKJIATVBUACMF-DGCLKSJQSA-N 256.349 3.632 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 177445361 ORLLDQUOIDEDHZ-UHFFFAOYSA-N 284.281 3.670 30 20 CHED Cc1c(C#N)cccc1NCc1noc(-c2ccsc2)n1 179051912 LCXSPCDARLBARV-UHFFFAOYSA-N 296.355 3.590 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(C#N)c1C 178814282 XJVRHGXHDZJNBH-UONOGXRCSA-N 296.395 3.979 30 20 CHED CC[C@H](C)CS[C@H]1CCN(c2sccc2C#N)C1=O 123924071 QJTATEWRHXHWPF-JQWIXIFHSA-N 294.445 3.504 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)c(F)c2)c(F)cc1F 308125297 UZMBLKHCWDARNX-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1OC 302913857 RUJFRRKSTBQKJV-SOFGYWHQSA-N 286.327 3.891 30 20 CHED CCN(CC#N)C(=O)C1(c2ccc(C(C)C)cc2)CCCC1 409597139 VDSBGWUPUKFVFP-UHFFFAOYSA-N 298.430 3.994 30 20 CHED CCCC(C#N)(CCC)NC(=O)CO[C@H]1CCC[C@@H](C)C1 121722543 XQZFDACHKRZFDM-CABCVRRESA-N 294.439 3.560 30 20 CHED COc1ccc([C@@H](C)CCNc2ccc(C#N)cn2)cc1 301433491 RCPWCDQONZOKSF-ZDUSSCGKSA-N 281.359 3.568 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 129188986 UXXOQNGRRFYKKD-UONOGXRCSA-N 298.292 3.579 30 20 CHED COc1ccccc1/C=C1\COc2cc(C)cc(C)c2C1=O 72031042 XZZABZVELYHVKQ-XNTDXEJSSA-N 294.350 3.971 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 185991287 RIWBDLDRWDNPQY-NEWSRXKRSA-N 298.430 3.700 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2c(F)cc(F)cc2C1 123598202 QODVQYGLEYMSNT-UHFFFAOYSA-N 291.341 3.618 30 20 CHED C[C@H](NCc1ccc(F)cc1)c1ccc(OCC#N)cc1 37211060 VSTLVLHVGDZYNR-ZDUSSCGKSA-N 284.334 3.579 30 20 CHED N#C[C@H](C(=O)C1CC=CC1)c1nc(-c2ccccc2)cs1 77941220 ANFWZRODRARYOE-CQSZACIVSA-N 294.379 3.953 30 20 CHED CCc1cc(C#N)c(NC(=O)C2CCCCC2)s1 79262996 FBSHMMKZDWLMMR-UHFFFAOYSA-N 262.378 3.701 30 20 CHED CCN(C[C@H](C)C#N)C[C@@H](C)c1cccc(Cl)c1 189743796 FDGFKKRRSDUNJC-CHWSQXEVSA-N 264.800 3.925 30 20 CHED CC[C@@H](CC(=O)OCC1(C#N)CCC1)c1ccccc1 183864134 GCTUCEYKZLSLFF-AWEZNQCLSA-N 271.360 3.807 30 20 CHED CCC(CC)CN(CC)Cc1cc(C#N)cs1 508669889 FGIMHZNNPXAJSN-UHFFFAOYSA-N 250.411 3.878 30 20 CHED C#CCCCCC(=O)OCc1ccccc1Cl 120369863 HHKWJNZFTBPVKC-UHFFFAOYSA-N 250.725 3.577 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc2cnccc12 73077513 WEHGEQUWNKFSGU-UHFFFAOYSA-N 295.386 3.637 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1OCC(F)F 180774817 KESLOBVSWLXCJF-UHFFFAOYSA-N 287.281 3.764 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1Cl 129569098 XRINFFLGPMCOHK-GHMZBOCLSA-N 279.746 3.573 30 20 CHED C=C(Cl)CNCc1cc(Cl)cc(Cl)c1 131654546 NASDXKMWCZRORG-UHFFFAOYSA-N 250.556 3.836 30 20 CHED COc1ccccc1/C=C/C(=O)c1sccc1C 72614320 UPLGBMPIWWAORT-BQYQJAHWSA-N 258.342 3.961 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](O)c1ccc(Cl)cc1 120502707 MGSNBZLEGXTCDP-HUUCEWRRSA-N 267.800 3.708 30 20 CHED N#CCOc1cc(F)ccc1NC/C=C/c1ccccc1 181543745 QDBFPXSKZSZHDE-QPJJXVBHSA-N 282.318 3.853 30 20 CHED C=CCC1(C(=O)N[C@@H](C#N)C(C)(C)C)CCCCC1 410876811 NCKBIAJSVFUTDP-ZDUSSCGKSA-N 262.397 3.567 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)[C@@H](C)CC 182609806 VJAXCFSFZSWJBT-QWHCGFSZSA-N 265.422 3.945 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(SCC#N)c1 185410825 YKPAKAMGCXBSDZ-SWLSCSKDSA-N 288.416 3.563 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@H](C)SC 506652582 PCQLVNYGKZYXQF-ZDUSSCGKSA-N 284.469 3.516 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1C[C@H]2CCCC[C@H]2C1 413323648 TUDOHKHIGWEJHL-PHIMTYICSA-N 295.308 3.598 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2ccccc2CC#N)CC[C@H]1C 410828540 NUBNMWRTJQYAGP-VNHYZAJKSA-N 270.376 3.763 30 20 CHED CC(C)c1ccc(CCCNC(=O)C2(C#N)CCC2)cc1 121541206 RWJOKGMLTQNACL-UHFFFAOYSA-N 284.403 3.553 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)COC(C)C 414539480 SEBRONCTILREDZ-DOTOQJQBSA-N 261.409 3.577 30 20 CHED C[C@H](NCCC1(C#N)CCCCC1)c1c(F)cncc1F 411730961 ZSZUBDOKUZWCCU-LBPRGKRZSA-N 293.361 3.875 30 20 CHED CC(C)Oc1ccc(NC(=O)N(C)CCC#N)c(Cl)c1 187254952 WRRJMHIERYTEJD-UHFFFAOYSA-N 295.770 3.505 30 20 CHED CC(C)(C#N)CCN[C@H]1CCC[C@@H]1OCc1ccccc1 503525550 HDRGJKWAGLKMDF-IRXDYDNUSA-N 286.419 3.654 30 20 CHED C[C@H](SCCC#N)c1nnc(-c2cccs2)o1 413010597 GZFAAIQXTCJPKG-QMMMGPOBSA-N 265.363 3.506 30 20 CHED CCc1cccc(NC(=O)c2cccc(C#N)c2C)c1 509011983 LFESSBGNTPMCDC-UHFFFAOYSA-N 264.328 3.681 30 20 CHED CCOc1cccc(CNc2cc(C#N)ccc2OCC)c1 501017665 IYEGJGGFTRDCRU-UHFFFAOYSA-N 296.370 3.968 30 20 CHED N#CCc1cccc(NC(=O)[C@H]2CCCc3sccc32)c1 313435579 ANCSEXJIJDJRIO-HNNXBMFYSA-N 296.395 3.873 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccc(C)cc2[nH]1 410121764 YAMXKSQMZWYTJN-ZDUSSCGKSA-N 256.349 3.561 30 20 CHED C=CCN(C)C(=O)C1(c2ccccc2OC)CCCCC1 501506182 ACJQNIBALZIGNN-UHFFFAOYSA-N 287.403 3.542 30 20 CHED C=CCn1c(C)nnc1SCCCc1ccc(C)cc1 181879356 HPYKDOZDDMYSDU-UHFFFAOYSA-N 287.432 3.806 30 20 CHED Cc1csc(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)c1 415714405 WXLIHBPKKYYWSH-UHFFFAOYSA-N 299.399 3.555 30 20 CHED C[C@@H]1CCc2nc(CNc3ccc(C#N)cc3)sc2C1 132867599 CFBZNRGCNJLKAO-LLVKDONJSA-N 283.400 3.752 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(C)ccc1F 500105278 UGLYKIYPSNBBAJ-LLVKDONJSA-N 250.317 3.610 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1ccc(C)cc1Cl 410135543 NULVXWWGBYUORN-ZDUSSCGKSA-N 265.784 3.662 30 20 CHED N#CCc1cccc(C(=O)Nc2nc3ccccc3s2)c1 42196317 PREBYQIBTBVYHF-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C=CCOCCCC(=O)Nc1ccc(OC(C)(C)C)cc1 80468756 VFIRWQCTPBZOPV-UHFFFAOYSA-N 291.391 3.785 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)C1[C@@H]2CCC[C@@H]12 329285628 OXKYTAMTVXEMCS-ZHSDAYTOSA-N 278.396 3.523 30 20 CHED Cc1cc(C)c(C#N)c(N2CCCc3sccc3C2)n1 609333719 FFXGRUPGXXUEKK-UHFFFAOYSA-N 283.400 3.584 30 20 CHED CCN(CCC#N)CCCc1ccc(Cl)cc1 81039541 QZFUDWFARBLIPA-UHFFFAOYSA-N 250.773 3.508 30 20 CHED C[C@H](/N=C(/O)[C@@H]1C[C@@]12CCCc1ccccc12)c1cn[nH]c1 328850226 ZCQKUFPGNHTMQN-ULFGMLNVSA-N 295.386 3.721 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CC3(CCC3)Oc3ccccc32)C1 424316728 BFHBFMZVIRQHEU-YCPHGPKFSA-N 282.387 3.715 30 20 CHED CC[C@H]1C[C@@H](C(O)=Nc2scnc2C2CC2)CCO1 329387255 QVVQXFJHRZCCAG-QWRGUYRKSA-N 280.393 3.814 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(Br)s2)C1 612158680 ODJQQHGYUZOBCP-LBPRGKRZSA-N 299.237 3.636 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)NCC1(c2ccccc2)CCCCC1 514709698 MCBDKCBKTFCRSP-BEFAXECRSA-N 296.414 3.554 30 20 CHED CN(C(=O)/C=C/c1ccccc1C#N)c1cc(F)ccc1F 195524472 HOBVTHBJSPBBCC-RMKNXTFCSA-N 298.292 3.513 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 192618375 UUCMDJXIGHOOMW-LBPRGKRZSA-N 258.365 3.862 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(C)C)nc1CC 512100574 URMRRSHHUUIFJI-ZDUSSCGKSA-N 274.408 3.852 30 20 CHED CC(C)(C)C[C@H](NC(=O)NCCC#N)c1ccc(F)cc1 426425403 QBLXLISTYXDZMS-AWEZNQCLSA-N 291.370 3.516 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 332196279 WEOSIYXAWSHBSJ-YNEHKIRRSA-N 288.416 3.708 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2nc3c(cc2C#N)CCC3)o1 515555194 TUUALJDJGUOORP-XHDPSFHLSA-N 293.370 3.770 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)c(OC)c(F)c1OC 425612999 VONFPKSJPLPACW-UHFFFAOYSA-N 299.317 3.523 30 20 CHED CC1(C/N=C(/O)Nc2ccc(C(=N)O)cc2F)CCCC1 331063145 OOFPFWGJZXPAQS-UHFFFAOYSA-N 293.342 3.615 30 20 CHED CCCC[C@@H](C)C(=O)Nc1ccc(C#N)c(C#N)c1C 421555429 IFBAWPHARYKHFP-LLVKDONJSA-N 269.348 3.503 30 20 CHED C[C@H]1CC[C@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 516774431 QXEJKTSLHCAIGV-CZIWCDLHSA-N 296.414 3.876 30 20 CHED Cc1occc1CN[C@@H]1CCCc2cc(C#N)ccc21 334923573 GEOVHLVPTOFRFS-QGZVFWFLSA-N 266.344 3.627 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)s1 336309498 JTHDHWGUQBAOKW-LBPRGKRZSA-N 288.397 3.659 30 20 CHED N#Cc1ccc(NC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 337609899 VFPNTNFXJHFBIO-SOUVJXGZSA-N 283.375 3.506 30 20 CHED CC(C)c1[nH]ccc1/C(O)=N/CCOC1CCCCC1 330599584 UHYHRYOMOOMHMP-UHFFFAOYSA-N 278.396 3.792 30 20 CHED C[C@H](CCC(=O)NCc1ccc(C#N)s1)c1ccccc1 421604729 QZFWGAVUUJDUSL-CYBMUJFWSA-N 298.411 3.820 30 20 CHED CC#CCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 511894959 IXWJHXGDXRSYBP-KURKYZTESA-N 253.389 3.668 30 20 CHED CCSCC[C@@H](C)N(C)CCCC1(C#N)CCOCC1 337183121 NLBDIJBTOSNJHE-OAHLLOKOSA-N 298.496 3.550 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1C(F)F 425076101 RASFEPITJMJGQD-UHFFFAOYSA-N 269.291 3.546 30 20 CHED C=CCN1CCC(C)(c2nc3ccccc3s2)CC1 511074146 SYBMJPJYEUGDBS-UHFFFAOYSA-N 272.417 3.836 30 20 CHED CC(C)(C)CCCCC(=O)NCc1ccc(C#N)s1 421605104 SWCGRMYLAAMLQA-UHFFFAOYSA-N 278.421 3.842 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@H](OCC)C(=C)C 339432347 JPKRBKKGQKTNIH-HNNXBMFYSA-N 293.432 3.634 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)Nc1cccc(CC#N)c1 334983149 XAXWPKOTWFLXSH-WFASDCNBSA-N 271.364 3.547 30 20 CHED CC(C)[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 336183683 REMQQOGAMHCMQB-HNNXBMFYSA-N 285.391 3.653 30 20 CHED Cc1oc2ccccc2c1C/C(O)=N/C[C@H]1CCCC1=O 330087483 NFNRNNRBZKVQGX-GFCCVEGCSA-N 285.343 3.609 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1F 438497686 WWCKOOCYVZLQQJ-ZDUSSCGKSA-N 288.288 3.764 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(SC)c1C 438288572 FRNSKBIDAFZQKP-INIZCTEOSA-N 293.432 3.884 30 20 CHED CCc1c(C(=O)N(C)C2(C#N)CCC2)oc2ccccc12 336240618 ZMRXNKLQDLZJGV-UHFFFAOYSA-N 282.343 3.513 30 20 CHED C#CCCCCN[C@@H]1CCCOc2cc(C)ccc21 90398785 RIWGAIYCLVYLQX-MRXNPFEDSA-N 257.377 3.602 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)c1ccc(C(F)F)cc1)CC2 334259754 QWNBEQNJDIQBDQ-UHFFFAOYSA-N 298.292 3.699 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@H]2CC23CCCCC3)cc1 330017892 RXNGZFPCSNEDGZ-INIZCTEOSA-N 296.414 3.940 30 20 CHED C=CCCCC(=O)Nc1nc(C2CCC2)cs1 436172468 NJRDBFZVZYSYKZ-UHFFFAOYSA-N 250.367 3.705 30 20 CHED C=C(C)[C@@H](CC(=O)N(c1ccccc1)C(C)C)OCC 339369472 GVCLNZWQKRRBEK-MRXNPFEDSA-N 275.392 3.799 30 20 CHED CSC1(CN[C@H]2CCCc3cc(C#N)ccc32)CCC1 433062008 RITDVQQFMJGMSL-INIZCTEOSA-N 286.444 3.811 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1cccc(Br)c1 245770522 KKRUMCRHHFMAEC-NWDGAFQWSA-N 295.224 3.992 30 20 CHED Cc1nsc(NCC2(C)Cc3ccccc3C2)c1C#N 342563973 GASOLNCBDTTZKO-UHFFFAOYSA-N 283.400 3.540 30 20 CHED C[C@H]1CCCCN1C[C@@H]1CCCN(C[C@H](C)CCC#N)C1 602451007 NKWHXDAKRXAFPE-FGTMMUONSA-N 291.483 3.513 30 20 CHED CCN(C(=O)CCC(C)C)[C@H](C)c1ccc(C#N)cc1 248292819 UYLCVOVDCAELNB-CQSZACIVSA-N 272.392 3.904 30 20 CHED C=CCN(Cc1c(C)cc(C)cc1C)[C@@H](C)COC 621317645 PUBYLBYDMVGLMC-INIZCTEOSA-N 261.409 3.635 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 345431272 ISGBTNIKXFPVNM-MWLCHTKSSA-N 294.301 3.534 30 20 CHED C[C@@H](CCC#N)CN1CCC=C(c2ccccc2)C1 602655516 VQBOAFNDYNGIND-HNNXBMFYSA-N 254.377 3.716 30 20 CHED N#CCCCN[C@@H]1CCC[C@@H]1CCc1ccccc1 346831828 MAFKKSSPOSHKPI-IAGOWNOFSA-N 256.393 3.681 30 20 CHED CC(C)(CCC#N)CNC(=O)CCc1cc2ccccc2o1 345897696 CMCOHBDRUBHXLN-UHFFFAOYSA-N 298.386 3.812 30 20 CHED CCOc1cccc(C=Nc2ccc(C)c(F)c2)c1O 254520279 LQWFOURKGRXXDD-UHFFFAOYSA-N 273.307 3.989 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(OCC2CC2)cc1 528563417 BHCUETUVQUTZHI-UHFFFAOYSA-N 286.375 3.744 30 20 CHED CC1=CC(=NNC(=S)Nc2c(C)cccc2C)CC1 254670257 QBJGCVANNYOODL-UHFFFAOYSA-N 273.405 3.686 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)C(=O)CC(C)(C)C#N 346152031 OYFRMWNXTFTYFM-GFCCVEGCSA-N 284.359 3.892 30 20 CHED C[C@H](CNCc1ccc(C#N)cc1)c1ccc(F)cc1 520213545 GVYWZYYXYSPXTD-CYBMUJFWSA-N 268.335 3.591 30 20 CHED O=C(/C=C\c1cc2ccccc2o1)c1cc(O)cc(O)c1 255890603 CTYOTAGHHDDVEY-WAYWQWQTSA-N 280.279 3.740 30 20 CHED C=CCCCCN[C@@H](c1ccccc1)c1cncnc1 349311382 ITWCAUUDKDAQGJ-KRWDZBQOSA-N 267.376 3.512 30 20 CHED CCOC(=O)C[C@@H](C)C/N=C\c1c(O)ccc2ccccc12 255161825 SCGYEPZNEAVGOD-CQLSMYGBSA-N 299.370 3.554 30 20 CHED CCN(CC)c1ccc(C=Nc2cccc(C#N)c2)c(O)c1 252463149 ZFQMPLQNASJRAS-UHFFFAOYSA-N 293.370 3.861 30 20 CHED C=C(CC)CSCCC(=O)N(C)c1ccccc1 358640666 WTSSGYZREJCNNN-UHFFFAOYSA-N 263.406 3.739 30 20 CHED C[C@@H](CC#N)NC(=O)CC1(CCc2ccccc2)CCCC1 353769417 RCAKJFDIALBIAR-INIZCTEOSA-N 298.430 3.988 30 20 CHED COCC[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(C)o1 449228254 SOLNUJXQJBFQOE-ISXOHVOVSA-N 290.407 3.728 30 20 CHED Cc1ccccc1N(C(=O)CC(C)(C)C#N)C(C)C 447418834 SDWDBSIURIEUOP-UHFFFAOYSA-N 258.365 3.676 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCC(C)(C)CCC#N 354028509 ODSBNNCIRRXEHX-ZIAGYGMSSA-N 293.455 3.830 30 20 CHED CN(CC1CCCC1)C(=O)C[C@H](CC#N)c1ccccc1 355374871 CPSFCRZNBDEVCO-KRWDZBQOSA-N 284.403 3.723 30 20 CHED N#CCC[C@@H](NCc1cnc(C2CC2)o1)c1ccccc1 600141867 KBQNYHOSROKRMZ-MRXNPFEDSA-N 281.359 3.687 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(-n2cccc2)c1 357344872 IKAPODTYXSKQID-UHFFFAOYSA-N 291.310 3.503 30 20 CHED Cc1cc(-c2noc(-c3cccc(CC#N)c3)n2)c(C)o1 351038923 VZUZCUROXYLBHD-UHFFFAOYSA-N 279.299 3.680 30 20 CHED CCC(CC)CNC1CCN(c2ccc(C#N)cc2)CC1 269761108 JHSZLHQPOAYVID-UHFFFAOYSA-N 285.435 3.553 30 20 CHED N#CCSCc1nc(Cc2cccc3ccccc23)no1 355849742 WMSDQCKRMBFQJB-UHFFFAOYSA-N 295.367 3.570 30 20 CHED C=C(C)CCN[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C 449472968 GTBHAKZNYPPTAR-ZDUSSCGKSA-N 294.826 3.921 30 20 CHED Cc1oc(C#N)cc1C(=O)NCc1ccc2sccc2c1 355377976 YDQDGWAOILIPJY-UHFFFAOYSA-N 296.351 3.604 30 20 CHED C=CCC[C@H](CCC)NCc1ncc(C(F)(F)F)cn1 449471278 MAVYQWLCHQLGJS-LBPRGKRZSA-N 287.329 3.720 30 20 CHED CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1F 442773041 BUUVBCVGDILGJA-FFSVYQOJSA-N 278.346 3.944 30 20 CHED C=CCOCCCSCc1csc(C2CC2)n1 359118557 NMHOVDPPRXGTFU-UHFFFAOYSA-N 269.435 3.846 30 20 CHED C=CC[C@@H](C)[C@H](C)NCCc1nc2c(C)cccc2o1 268903696 GIUGZMGPWAECHM-OCCSQVGLSA-N 272.392 3.869 30 20 CHED CC(C)(CCC#N)CNC(=O)N(CC1CCC1)CC1CC1 358718999 YWQICWRSHIUATM-UHFFFAOYSA-N 291.439 3.538 30 20 CHED N#Cc1ccc(CNC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1Cl 619748553 HZWHRVXBOGBARM-WHOFXGATSA-N 272.779 3.513 30 20 CHED Cn1nc(CNc2ccc(Cl)c(C#N)c2)c2ccccc21 617815989 JNDYSSXWJHXLAR-UHFFFAOYSA-N 296.761 3.710 30 20 CHED C=CCC1(C(=O)N[C@H](C)C[C@H]2CCCO2)CCCCC1 448873208 XOZAVGWJCNWDJU-HUUCEWRRSA-N 279.424 3.587 30 20 CHED CCC[C@H](C)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 610592404 OBUXSGYAHRIIRL-XIRDDKMYSA-N 299.418 3.656 30 20 CHED CC(C)[C@@H]1CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl 611430669 YDNFUCWMQRCUEO-LBPRGKRZSA-N 297.185 3.736 30 20 CHED CC[C@H](NCCOc1ccccc1)c1ccc(C#N)cc1 447513518 WYMYFOCZCCPKOJ-SFHVURJKSA-N 280.371 3.678 30 20 CHED CO[C@H](c1ccccc1Cl)[C@H](C)N[C@H]1CC[C@@H](C#N)C1 442870933 LBHQVYLKOICXIB-ZWUHOBOKSA-N 292.810 3.698 30 20 CHED COC[C@@H](CC(C)C)Nc1cccc(OCCCC#N)c1 537424483 CWQWWXKFJMHFKM-MRXNPFEDSA-N 290.407 3.842 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)CCC#N)c1ccccc1 352314384 JOGMBODXLUZFRI-OAHLLOKOSA-N 287.407 3.767 30 20 CHED C=C[C@H](CC(=O)NCc1ccncc1CC)c1ccccc1 352590817 OXGGFJNPVUOBIX-OAHLLOKOSA-N 294.398 3.620 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(CCC(F)(F)F)cc1 267881076 XRZCYOFISWPOMM-UHFFFAOYSA-N 298.308 3.669 30 20 CHED CC(C)[C@H](CN[C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 442863310 XICSHQZIYGRHOB-SQNIBIBYSA-N 270.420 3.783 30 20 CHED C[C@@H](NCc1ccc(F)cc1C#N)c1c(F)cccc1F 539234431 XVNIVHUPSYSEAI-SNVBAGLBSA-N 290.288 3.826 30 20 CHED CC[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(C)cc1 612357698 MRTBRAYXDDYJDX-AEFFLSMTSA-N 299.418 3.781 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H](C)c2c(C)noc2C)C1 617781796 UILWGJBKBCTAMP-SWLSCSKDSA-N 290.407 3.600 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ccccc1[N+](=O)[O-] 618693861 RHGNWZTZIJLWNI-CQSZACIVSA-N 279.299 3.566 30 20 CHED Cc1cc(C)cc(N/C(N)=N\Cc2cc(C)cs2)c1 263135984 NRCKWVDLKQNYLC-UHFFFAOYSA-N 273.405 3.600 30 20 CHED C=CCC1(NC(=O)Cc2ccc(F)cc2)CCCCC1 456388307 WKKJIVYNRCNFRI-UHFFFAOYSA-N 275.367 3.763 30 20 CHED Cc1cc(NC(=O)N(C)CC(C)(C)C#N)ccc1C1CC1 455188035 UFKUTTPTNBJJMQ-UHFFFAOYSA-N 285.391 3.886 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C#N)c1C 450172041 JXYMPDHCXOSYJD-OCCSQVGLSA-N 256.349 3.632 30 20 CHED C=CCN(CCOC)Cc1cnc(-c2ccsc2)s1 361649252 ZBYSODLNGPXQSG-UHFFFAOYSA-N 294.445 3.506 30 20 CHED COc1ccccc1C(C)(C)CNCC(C)(C)CCC#N 610270756 AADRSJQQACRLTH-UHFFFAOYSA-N 288.435 3.892 30 20 CHED C=C(CC)CSCCCS(=O)(=O)c1ccc(C)cc1 538146699 CYXIPHMSFCUINT-UHFFFAOYSA-N 298.473 3.858 30 20 CHED Cc1ccc(C(C)(C)NCc2ccc(C#N)cc2C)cn1 614406092 RNBZHZXXOSEPPP-UHFFFAOYSA-N 279.387 3.595 30 20 CHED C=CCC1(C(=O)N2CCc3cc(F)ccc3C2)CCCC1 450353133 DOISKEHJVZEILX-UHFFFAOYSA-N 287.378 3.847 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H]1CCC(C)(C)C1 361469530 MTFKVJZJXKXMNI-OAHLLOKOSA-N 272.392 3.577 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)CCc1ccc(C#N)cc1 457235891 BNVZMLDMIRJGMR-KBXCAEBGSA-N 284.403 3.576 30 20 CHED C=CCN(Cc1ccccc1F)CC1CC(F)(F)C1 450290208 TVELURIABAZIAT-UHFFFAOYSA-N 269.310 3.859 30 20 CHED CCc1ccc([C@H](C)NC(=O)Cc2cccc(C#N)c2)cc1 610519021 CBEXBSBBJRXRJF-AWEZNQCLSA-N 292.382 3.541 30 20 CHED C[C@H](N[C@@H]1c2ccc(F)cc2O[C@H]1C)c1ccc(C#N)cc1 367578861 XNZLBNLDTUHBLL-PZROIBLQSA-N 296.345 3.870 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)o1 547328439 MVGNAZWFRNOSMI-IINYFYTJSA-N 297.314 3.795 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C1 610354115 VYEBCFIHCOBVNB-OEUWWYETSA-N 299.418 3.743 30 20 CHED C=CCCCCCSCc1ncnn1CC(F)F 362457248 PKOVUQZEUXGZCK-UHFFFAOYSA-N 275.368 3.523 30 20 CHED CC[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)C1CCCC1 455517642 MZLQAWMXRGCWHX-KRWDZBQOSA-N 299.418 3.668 30 20 CHED N#CCc1ccc(C(=O)Nc2nc(C3CCC3)cs2)cc1 277781766 UHSLJJBTEMINKO-UHFFFAOYSA-N 297.383 3.729 30 20 CHED C=CC[C@@H]1N(Cc2noc(C3CCC3)n2)CCCC1(C)C 625375553 SMDDGUXDXKOSEH-AWEZNQCLSA-N 289.423 3.904 30 20 CHED CC[C@@H]1CN(C(=O)[C@]2(C#N)C[C@@H]2C)CC[C@@H]1c1ccccc1 450017208 NGGPJZRMTKWNCQ-HIRMHNASSA-N 296.414 3.578 30 20 CHED CC(C)Oc1ccc2nccc(N(C)C[C@@H](C)C#N)c2c1 450259691 XPLDCWDVINERDL-ZDUSSCGKSA-N 283.375 3.618 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCCCC1(F)F 458909587 CBEIRPXNCSMXSG-OLZOCXBDSA-N 286.366 3.562 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCOc2ccccc2[C@@H]1C 622988022 TXPLSSDWHQXAPO-SUMWQHHRSA-N 273.376 3.571 30 20 CHED C=CCN(C(=O)c1ccc(OCC2CC2)cc1)C(C)(C)C 622943604 JGFOXAGBLUBGJC-UHFFFAOYSA-N 287.403 3.902 30 20 CHED CSc1ccc([C@@H](C)NCCCC#N)cc1F 273164603 AOWOYQQZQBIAGG-SNVBAGLBSA-N 252.358 3.502 30 20 CHED C=CCCOCC(=O)N1Cc2ccccc2-c2ccccc21 620237472 FTPVUIDGMSYICJ-UHFFFAOYSA-N 293.366 3.793 30 20 CHED C=CCC[C@H](NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C1CC1 540162686 IMUZWGICXXJSJK-AKHDSKFASA-N 267.416 3.907 30 20 CHED COc1cc(C#N)ccc1NC(=O)C(C)(C)C1CCCC1 545297289 HXHJXZHTJLBTFP-UHFFFAOYSA-N 286.375 3.722 30 20 CHED C=CCCC[C@@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 540335761 FVOMPOWDBZOUJI-CYBMUJFWSA-N 274.364 3.698 30 20 CHED Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)ccc1F 462012568 BSPGSIURHLSBEB-LBPRGKRZSA-N 282.318 3.748 30 20 CHED O=C(/C=C/c1ccc(OCC2CC2)cc1)c1cncs1 276682876 TYRZPLXBIZUFRF-VMPITWQZSA-N 285.368 3.828 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 620858371 FKFJUFVRIWOACS-CHWSQXEVSA-N 293.357 3.929 30 20 CHED C=C[C@@H](C)NC(=O)NCC1(c2ccc(F)cc2)CCCC1 464754342 GBYUTKFZHCBAAS-CYBMUJFWSA-N 290.382 3.511 30 20 CHED C[C@@H]1C[C@@H](CCNc2c(Cl)cccc2C#N)CCO1 543190404 YLADCCQUYNDFIY-NEPJUHHUSA-N 278.783 3.829 30 20 CHED CC[C@H](C#N)NC(=O)c1sc2cc(C)c(C)cc2c1C 469743133 XFYBOYNEUBJZTO-GFCCVEGCSA-N 286.400 3.859 30 20 CHED C=CCN(C(=O)[C@@H]1CCc2ccccc2C1)C(C)(C)C 622945677 NKKRNODTPPMCRT-MRXNPFEDSA-N 271.404 3.605 30 20 CHED Cc1ccccc1C[C@@H](NCCCCC#N)C1CC1 284265786 JCZBVQDRPXFQDO-QGZVFWFLSA-N 256.393 3.600 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(-c2nccn2C)c1 377223906 RURPULNJJNMHKE-AWEZNQCLSA-N 298.390 3.563 30 20 CHED CCCCOc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)c(C)c1 460033809 PBVRLDMEBJWOSN-DYVFJYSZSA-N 286.375 3.662 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1cccc(F)c1 280697159 BWOFRVCVGGYMMM-XIRDDKMYSA-N 277.383 3.848 30 20 CHED C=CCCN(C)C(=O)c1cc(C(C)C)n(-c2ccccc2)n1 468182109 GDOYVDJLHOFLHV-UHFFFAOYSA-N 297.402 3.644 30 20 CHED CO[C@]1(C)CCCN(Cc2ccc(Cl)cc2C#N)CC1 280557812 QXUJDENCEBODCW-MRXNPFEDSA-N 292.810 3.603 30 20 CHED C=CC[C@H](C)N[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 280667763 CDFZQLSPAZILSQ-MELADBBJSA-N 277.408 3.750 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccc(C)cc1)C1CC1 464541983 YHNLMLNFRRVMEO-GOSISDBHSA-N 269.388 3.756 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OC 289931337 WCNRBGTWYVTNFF-LBPRGKRZSA-N 289.379 3.609 30 20 CHED Cc1nsc(N2CCC(Cc3ccccc3)CC2)c1C#N 555897474 YYGYEZSIYMAGQP-UHFFFAOYSA-N 297.427 3.782 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 280860270 BMEVXKSPROPPOH-HDJSIYSDSA-N 290.382 3.679 30 20 CHED C#Cc1ccc(CN2CCC(OC3CCCC3)CC2)cc1 289468812 YUXHRJDRAMEYTG-UHFFFAOYSA-N 283.415 3.592 30 20 CHED CC(C)COc1cccc(CN(C)CC(C)(C)C#N)c1 556909664 KFKRXVQSGUGBNW-UHFFFAOYSA-N 274.408 3.703 30 20 CHED C=CCCCCNC(=O)N[C@H](c1cccs1)C1CC1 473888754 YMJDRTAKDPIAEX-AWEZNQCLSA-N 278.421 3.855 30 20 CHED Cc1ccc(C=NNCC2CCCC2)c(-c2ccnn2C)c1 808007153 RWIADMRVLQJXFC-UHFFFAOYSA-N 296.418 3.509 30 20 CHED C=CCN(CC=C)Cc1c(Cl)nc2cc(Cl)ccn12 809537627 QBNXEICKOLOPBY-UHFFFAOYSA-N 296.201 3.815 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 294703026 ZEINBOONYGXJTE-UHFFFAOYSA-N 273.163 3.726 30 20 CHED C#CCCCCCC(=O)N1Cc2cccc(Cl)c2C1 805270762 NCJJFMLMBNRGPZ-UHFFFAOYSA-N 275.779 3.766 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C)cc1OC 566613700 CPNGCZHSQSKUHO-RKVPGOIHSA-N 289.419 3.635 30 20 CHED C=CCC(C)(C)c1noc([C@H]2Cc3ccc(F)cc32)n1 645620321 DMNCEQDCCHUDTB-ZDUSSCGKSA-N 272.323 3.750 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2ccsc2)CCCCC1 801018197 QBVRYLRZSOVMRY-ZDUSSCGKSA-N 275.417 3.899 30 20 CHED C=CCOCCS[C@@H](C)[C@@H](C)SCCOCC=C 292706386 RAWPLZAEORGAOI-OKILXGFUSA-N 290.494 3.635 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 293502902 NHJMSBILIIJVDB-CVEARBPZSA-N 287.403 3.625 30 20 CHED N#C[C@H]1CC[C@@H](N2CCn3c(cc4c(Cl)cccc43)C2)C1 293959495 CICBFJIYJXATPO-QWHCGFSZSA-N 299.805 3.803 30 20 CHED N#CCCNC[C@@H](Cc1ccccc1)c1ccccc1 564445064 YDXIIRMCOIBVBA-GOSISDBHSA-N 264.372 3.516 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2c(F)cccc2Cl)no1 290245328 SLRYGAHKAQZIGV-CQSZACIVSA-N 293.729 3.644 30 20 CHED Cc1ccsc1CNC(=O)Nc1scc(C)c1C#N 562478476 IEELSPCNXPAUDH-UHFFFAOYSA-N 291.401 3.620 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(C2CC2)cc1 564642674 LSLAQCOWDTVKRD-ZDUSSCGKSA-N 282.387 3.825 30 20 CHED N#CCC1CCN(Cc2ccc(OCC3CC3)cc2)CC1 566537709 MQQNJVYLMKPOGP-UHFFFAOYSA-N 284.403 3.601 30 20 CHED C#C[C@@H](NCc1ccc2ccccc2c1O)C(C)(C)C 816612833 YZAHEAZECQCVFK-MRXNPFEDSA-N 267.372 3.683 30 20 CHED CC[C@@]1(C(C)C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 560767978 HNWQYIFEEMPBES-FAJBIJEISA-N 296.414 3.603 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1 483642682 WFTZEQNLWHGVNL-HOCLYGCPSA-N 270.376 3.737 30 20 CHED CCCN(Cc1ccc(C#N)c(F)c1)c1ccc(CN)cc1 817409544 ARZLXMUGRGYAOZ-UHFFFAOYSA-N 297.377 3.573 30 20 CHED C[C@@H]1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)C1 814688986 QYWJLDYSGFOMDW-MRVPVSSYSA-N 266.728 3.626 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCSc2ccccc21 489991004 UANKUKXMPUTWQJ-CQSZACIVSA-N 289.444 3.985 30 20 CHED CCCCCCCN[C@@H](c1nc[nH]n1)C1CCCCC1 813858740 IWAGCBNNYQUDFM-OAHLLOKOSA-N 278.444 3.986 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1CCO[C@H](C(F)(F)F)C1 814918020 YPLSNPDUKCDGPU-RYUDHWBXSA-N 292.345 3.642 30 20 CHED N#CCCCC(=O)OCc1ccc2ccccc2c1 812616419 BMYGGVVALJJTRL-UHFFFAOYSA-N 253.301 3.577 30 20 CHED C#CCN(C)C(=O)N[C@H](c1ccc(CC(C)C)cc1)C1CC1 812022058 KSMJAVKZTBHXPA-GOSISDBHSA-N 298.430 3.611 30 20 CHED FC(F)(F)c1ccccc1C=NOC/C=C\Cl 811669677 HZMWGKSZXDLPCT-AIEBDEASSA-N 263.646 3.808 30 20 CHED N#Cc1cc(NC2CCC(c3ccc(F)cc3)CC2)ncn1 571518409 VTZRWTKPUIVSJZ-UHFFFAOYSA-N 296.349 3.626 30 20 CHED CCC(=NNCC1(C)CCCC1)c1ccc(F)cn1 814937840 QQLCYTJGOLPFBR-UHFFFAOYSA-N 263.360 3.505 30 20 CHED CCC(=NNC1CCOCC1)C12CC3CC(CC(C3)C1)C2 811644979 SZXGQZJTIMGMEF-UHFFFAOYSA-N 290.451 3.737 30 20 CHED C=CCC(F)(F)C(=O)OC[C@@H](OC(C)C)c1ccccc1 815310548 BFVNBJFGCGNJAA-CQSZACIVSA-N 298.329 3.907 30 20 CHED CC(C)(C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572939480 YXROKPGOJLDXQR-JKSUJKDBSA-N 284.403 3.604 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 483421855 OVXNKKALBHVTOJ-MSOLQXFVSA-N 298.430 3.768 30 20 CHED C=CCCCCOC(=O)[C@@H]1CCCN1c1ccccc1 811010790 IBJRMPRCQJGAIL-INIZCTEOSA-N 273.376 3.555 30 20 CHED CC(C)(NCCOc1cccc(C#N)c1)c1ccc(F)cc1 728926754 SHXHSEMFPHINDU-UHFFFAOYSA-N 298.361 3.601 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@@H]2CCCC(C)(C)C2)no1 571783153 QQCWWLVBRWPYNO-CYBMUJFWSA-N 296.374 3.996 30 20 CHED C=CC[C@H](CO)CNCc1ccc(-c2cccs2)cc1 657427123 OXUCSMRLTHXHAH-HNNXBMFYSA-N 287.428 3.689 30 20 CHED C=CCCC(C)(C)NCc1ccc(O[C@H](C)COC)cc1 657806304 KNRSTXHEFOWZLW-OAHLLOKOSA-N 291.435 3.935 30 20 CHED C=C(C)CCNc1ccc(S(=O)(=O)C2CCCC2)cc1 573361740 MMESISPHECCCFL-UHFFFAOYSA-N 293.432 3.781 30 20 CHED Cc1ccc2oc(CN[C@@H]3CC[C@H](C#N)C3)cc2c1 573383504 DDGYIRCINMDBPA-GXTWGEPZSA-N 254.333 3.523 30 20 CHED Fc1ccc(C=NNc2cccc3cnccc23)c(F)c1 728432578 XETVYWQYFDFJMX-UHFFFAOYSA-N 283.281 3.959 30 20 CHED Cc1ccc(-c2csc(NC(=O)C#CC(C)C)n2)cc1 826883068 SMEFJTQSZRVBIK-UHFFFAOYSA-N 284.384 3.716 30 20 CHED C#C[C@H](N[C@H]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1F 824370686 NSENKTXDGABKII-XEZPLFJOSA-N 295.785 3.701 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C)c1ccc(Cl)cn1 820726411 PYQDSDQMRGKWHS-SNVBAGLBSA-N 267.756 3.942 30 20 CHED CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCCC1(F)F 828857467 DGAMPKZSDIAZDG-LBPRGKRZSA-N 278.302 3.608 30 20 CHED N#CCn1c(C(=O)OCC2CCCCC2)cc2ccccc21 729766352 OXZFXAAHGDIRLU-UHFFFAOYSA-N 296.370 3.902 30 20 CHED Cc1cc(C#N)cc(NCc2coc(C(C)(C)C)n2)c1 901419851 BSABSAJICBCGMR-UHFFFAOYSA-N 269.348 3.764 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)CC(C)(C)CC(=O)O 902349474 FMKFHUXPQDAGNO-KFWWJZLASA-N 281.440 3.990 30 20 CHED CCCNc1ccc(CNC(=O)CCCCCC#N)cc1 588722431 RHDFXUQRYXZICB-UHFFFAOYSA-N 287.407 3.599 30 20 CHED C=CC[C@@H]1CC[C@@H](N[C@@H](C(=O)O)c2ccc(C)c(C)c2)C1 901842727 AJPZUYSMFCEAAP-DJIMGWMZSA-N 287.403 3.764 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(C(C)(C)C)n[nH]1 582340336 WZTAVIZVORXUOG-CYBMUJFWSA-N 296.418 3.772 30 20 CHED C=CCN(C/C=C/c1ccncc1)Cc1cccs1 495077675 GGIBQDBLRUKTLF-HWKANZROSA-N 270.401 3.845 30 20 CHED C=CCn1cccc1C(=O)Nc1c(C)cccc1C 490001318 JQECPTZOHVKSNK-UHFFFAOYSA-N 254.333 3.543 30 20 CHED CC(CCc1ccccc1)=NNc1ccc(F)cn1 731318612 JKVBUGWUFQCSNN-UHFFFAOYSA-N 257.312 3.641 30 20 CHED CC[C@H](N[C@@H](C)c1cccnc1)c1cccc(C#N)c1 902726997 WAQPQEZWCNOGBS-GUYCJALGSA-N 265.360 3.755 30 20 CHED N#CCC1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 492495045 UVDGKZBGAKNRMK-ZZXKWVIFSA-N 288.778 3.505 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(OC(C)C)cc1 739914741 ONXXVKUFCXWRSP-UHFFFAOYSA-N 274.408 3.845 30 20 CHED CC(C)Oc1ccc(C(=O)NCC(C)(C)CCC#N)cc1 588178225 GHIDSSRNBBXISX-UHFFFAOYSA-N 288.391 3.534 30 20 CHED Cc1cncc(/C=C/C(=O)OCCCCC2(C#N)CCC2)c1 909089055 NOYMJTZAKIEHKC-AATRIKPKSA-N 298.386 3.811 30 20 CHED C=CCCC(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 588019580 WJQXUDUQEYSPQT-LBPRGKRZSA-N 287.359 3.975 30 20 CHED C=C(C)C[C@H](N[C@H]1CC[C@@](C)(c2ccccc2)C1)C(=O)O 901680346 WNMAUWDKRDQVCP-XYJFISCASA-N 287.403 3.506 30 20 CHED C=CCCCCCCNC(=O)C1(C(F)(F)F)CCC1 831993942 YGPRLWLLCGCCRS-UHFFFAOYSA-N 277.330 3.972 30 20 CHED CC(CCC1CCCCC1)=NNc1ccc(C)nn1 731927480 IVSBJXNPDZLYBZ-UHFFFAOYSA-N 260.385 3.933 30 20 CHED C=C(C)CNC(=S)N1CCCc2c(Cl)ccc(F)c21 731492026 GSPNGUWMDRJFFR-UHFFFAOYSA-N 298.814 3.682 30 20 CHED CC(=NNc1ccncn1)c1ccc(CC(C)C)cc1 835002700 RQPUDPYIMBFNRK-UHFFFAOYSA-N 268.364 3.511 30 20 CHED C#Cc1ccc(C(=O)N[C@H](C)CCC2CCCCC2)cn1 734344837 SWBIPKTVQZPYIZ-CQSZACIVSA-N 284.403 3.542 30 20 CHED CC(C)(C)C#CC(=O)N1CCC(c2ccccc2F)CC1 837428228 WRDPWCUTGPXEEZ-UHFFFAOYSA-N 287.378 3.581 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1ccc(C)nn1 731927926 XVGTWGRJICZUPR-UHFFFAOYSA-N 268.364 3.514 30 20 CHED Cc1cccc(C)c1OCCCN(CCC#N)CC(C)C 739915456 ZYAQWOVZMAYDQS-UHFFFAOYSA-N 288.435 3.944 30 20 CHED CCC[C@H](NC(=O)c1ccccc1OCC#N)C(C)(C)C 839408293 FTCKHVUAHLEYJH-HNNXBMFYSA-N 288.391 3.534 30 20 CHED CC[C@@H](C)CCC(=O)Nc1ccc(C#N)cc1Cl 588948702 WWYJNBHJONSXFL-SNVBAGLBSA-N 264.756 3.976 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2n1 839048278 AAZDQNSCHBRLFB-ZIAGYGMSSA-N 294.354 3.782 30 20 CHED Cc1cc(C)c(NC(=O)[C@H](C)ON=C2CCC2)c(Cl)c1 735490442 XFVWOUHEMIFLBM-NSHDSACASA-N 294.782 3.840 30 20 CHED C#CC1CCN(C(=O)Nc2cc(SC)ccc2C)CC1 831616674 IRFTZRRCVVFHEQ-UHFFFAOYSA-N 288.416 3.594 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc(O)cc2)c1 734979495 QRIYRWGQRYNKKK-UITAMQMPSA-N 256.276 3.736 30 20 CHED C=CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C 731480747 XIWLTFNQQBIQIS-HNNXBMFYSA-N 296.455 3.530 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1cc(Cl)ccc1O 834890134 DBFYICNESGJUHF-LZWOXQAQSA-N 295.810 3.820 30 20 CHED C=CC(C)(C)COC(=O)c1cnc(-c2cccnc2)s1 835723407 VLKSLZWVTMJFAI-UHFFFAOYSA-N 288.372 3.574 30 20 CHED N#Cc1cc2c(nc1SC/C=C/Cl)CCCC2 913608961 OLNKYGQIOMHGFW-ZZXKWVIFSA-N 264.781 3.677 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1cncs1 735792475 FOBBVNZXKUCQRI-BQYQJAHWSA-N 273.357 3.826 30 20 CHED C#CCOC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 916621941 SGUASJPIJSBDFD-KAMYIIQDSA-N 286.327 3.604 30 20 CHED C=C(C)COC(=O)CSc1ccccc1Cl 916602126 YQZXSIHCAWNPGO-UHFFFAOYSA-N 256.754 3.551 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2ccccc2Cl)C1 839043140 KDBSIBPMSAZQGB-AAEUAGOBSA-N 277.751 3.508 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)O[C@@H](C#N)C1CCCCC1 835341238 HFFJFBBUNYIDAQ-JQWIXIFHSA-N 291.313 3.981 30 20 CHED C=CCC1(NC(=O)c2cccc([N+](=O)[O-])c2C)CCCC1 598298231 GYIIABKVUZOEIN-UHFFFAOYSA-N 288.347 3.522 30 20 CHED C[C@@H](C#N)OC(=O)c1sccc1-c1ccc(F)cc1 744607494 FBULXTMNYBBFBF-VIFPVBQESA-N 275.304 3.623 30 20 CHED CSc1ccc(CSC[C@H](O)CC(C)(C)C#N)cc1 598700861 GUYWJSXTSANABL-CYBMUJFWSA-N 295.473 3.942 30 20 CHED C=CCCSCCNC(=O)N(CC)Cc1ccccc1 595722518 ASOFEQYXOZKMFG-UHFFFAOYSA-N 292.448 3.527 30 20 CHED COc1ccc2c(c1)CCCN([C@H](C#N)c1ccccc1)C2 595310144 VAMYXYDFBZRKQM-LJQANCHMSA-N 292.382 3.708 30 20 CHED CC(C)=CCOc1cccc(C(=O)OCCCCC#N)c1 744140915 NWVMCCMUHYFHQE-UHFFFAOYSA-N 287.359 3.882 30 20 CHED Cc1oc(C)c(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1C 591808941 PUCUZJIKVJAJMO-LBPRGKRZSA-N 296.370 3.910 30 20 CHED CCc1cc(C#N)ccc1OCc1cc(C2CC2)no1 596280058 ZEVPOYFRPPGVFT-UHFFFAOYSA-N 268.316 3.565 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@@H]2C[C@H]12 841635968 IIHBYASVSZIUQX-ZJUUUORDSA-N 278.787 3.841 30 20 CHED CCCCCC1=CCCC1=NNc1nc(C)cc(O)n1 916583561 KGETZRJWMIAXHP-UHFFFAOYSA-N 274.368 3.559 30 20 CHED C=C(C)CNC(=S)N(CC(C)C)c1ccc(OC)cc1 745730010 HTJRKSBLRVKKRG-UHFFFAOYSA-N 292.448 3.608 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1ccn(C)n1 841640120 WQFVLEQZUXKOBT-UHFFFAOYSA-N 270.380 3.688 30 20 CHED CC[C@H](CC#N)NC(=O)CCc1c(Cl)cccc1Cl 594340479 RNTNZNCQWKNIGN-SNVBAGLBSA-N 299.201 3.734 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc3c(c2)COC3)c1 742436938 OLVCDDJDEPGBGR-YVMONPNESA-N 280.323 3.622 30 20 CHED N#Cc1csc(C(=O)N2CC[C@@H](C3CCCCC3)C2)c1 598152081 CZVNZQQKLJCXQI-CQSZACIVSA-N 288.416 3.662 30 20 CHED CS[C@@H]1CC[C@@H](/N=C\c2cc3ccccc3nc2O)C1 743043040 PRMBVOYSZZHMFP-SRDPGZLCSA-N 286.400 3.643 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@H](C)c1ccc(Cl)cc1 845528370 GJQCSOBAOISEQC-MFKMUULPSA-N 265.740 3.679 30 20 CHED C=C(C)CN(CC)C(=O)CSC[C@H](CC)CC(F)F 596397708 UFVHAYQUBUWULC-GFCCVEGCSA-N 293.423 3.826 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Oc1cccc(OCC#N)c1 841344525 XUNHGDFSSXXLPC-BBRMVZONSA-N 287.359 3.711 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C(\CC)c1cccc(Cl)c1 744489367 HIINWDCRMKNZCC-PABFRNLHSA-N 290.794 3.942 30 20 CHED COc1ccc2c(c1)C(=NNc1ccc(C)cc1)CC2 747625018 XTRVNPNSPPIXMS-UHFFFAOYSA-N 266.344 3.766 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@H](C)c2ccco2)cc1 599948790 ULDJRZOODFIHTI-BBRMVZONSA-N 296.370 3.717 30 20 CHED C#CCCCNC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 743690869 NNRWOAOFHWKQDM-MRXNPFEDSA-N 284.403 3.512 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)CC1(C#N)CCCCC1 596904537 LCUKCRDSIBNENP-QGZVFWFLSA-N 296.414 3.963 30 20 CHED C[C@H](CCc1ccccc1)CN1CCC[C@@H](CC#N)C1 597176241 GWHILJYMMRKDOY-AEFFLSMTSA-N 270.420 3.881 30 20 CHED CC1(C#N)CCN(C(=O)[C@]2(c3ccccc3)CC2(C)C)CC1 597485441 DVFQWEMNLBPYPW-LJQANCHMSA-N 296.414 3.507 30 20 CHED Cc1cc(C)n(-c2ccc(NCC3(CC#N)CC3)cc2F)n1 594701537 SIHFQPNXGRXTAI-UHFFFAOYSA-N 298.365 3.734 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc2c(c1)CCCCC2 593271812 SWSXXBALBSGFJA-UHFFFAOYSA-N 285.391 3.723 30 20 CHED COc1ccc2sc(C(=O)O[C@H](C)CC#N)c(C)c2c1 744134628 FGLIHHSTOSFLDP-SECBINFHSA-N 289.356 3.677 30 20 CHED C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@H](CC#N)C1 595613428 CQAMJACIQONTEP-QWHCGFSZSA-N 294.345 3.975 30 20 CHED CCC(CC)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842939406 PRPFMMKSMLEMMF-NSHDSACASA-N 262.378 3.633 30 20 CHED C=C(C)CCOC(=O)Cc1c(C)nc([C@H](C)CC)nc1C 847653198 AEHOHEUFCVBUGV-GFCCVEGCSA-N 290.407 3.659 30 20 CHED Cn1cccc1C/N=C\c1cc(Cl)cc(Cl)c1O 743501569 NIUBFEHPMXRFMS-APSNUPSMSA-N 283.158 3.657 30 20 CHED CCSc1ccccc1COC(=O)C1(C#N)CCC1 922473245 YFFHJHCVFKKARW-UHFFFAOYSA-N 275.373 3.536 30 20 CHED CCC/C=C\C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842943340 VIECVNCOPHZOLK-DOGVGXBMSA-N 260.362 3.553 30 20 CHED C=C[C@@H](CC(=O)OCCCCC#N)c1ccccc1 758906529 DKNZFSADIHUPSO-AWEZNQCLSA-N 257.333 3.583 30 20 CHED CO[C@@H](C=NNc1cccc(Cl)c1Cl)C1CC1 853357624 WVVDULSOCBYDAE-NSHDSACASA-N 273.163 3.816 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(F)cc1C)C2=O 759665029 NOJSOUUZXTWDED-LCYFTJDESA-N 282.314 3.965 30 20 CHED CCCC[C@@](C)(F)C(=O)OCC#Cc1cccc(OC)c1 850856906 IMTNSILSEQEVNM-QGZVFWFLSA-N 292.350 3.508 30 20 CHED C/C=C\COc1ccc(CCC(C)=NOCC)cc1 920371480 KSGLVIBCDJTEFH-SJJODTQISA-N 261.365 3.987 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1c1c(C)cccc1C 855213994 HPRZZLOLDNOLDG-MRXNPFEDSA-N 269.388 3.770 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)OCCCCC#N)CC1 753454785 ONPGWZAJZYKJBS-HDJSIYSDSA-N 251.370 3.686 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 754869224 SUTKUGTVARUCGS-OAGGEKHMSA-N 296.455 3.604 30 20 CHED CSCC(C)(C)COC(=O)/C=C/c1ccccc1C#N 851173900 UBUOBAOVZXWKGQ-CMDGGOBGSA-N 289.400 3.504 30 20 CHED CC(C)[C@H](N[C@@H](C)CC(C)(C)C#N)c1nc(C2CC2)no1 925410997 LISFXWYQOFSBHG-AAEUAGOBSA-N 290.411 3.562 30 20 CHED Fc1ccc(/C=C\C=NO[C@@H]2CCCCO2)c(F)c1 758130637 XORWNNIGBGBNNB-INDJIZKNSA-N 267.275 3.507 30 20 CHED CCCCCCCCNC(=O)N1CCC2(CCC2)C1 754863869 FVMCWJWJVVQURZ-UHFFFAOYSA-N 266.429 3.933 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2c(C)cccc2F)c1 754044025 YNNWWWPJKDZCTI-UHFFFAOYSA-N 282.318 3.821 30 20 CHED C#CC[C@H](NC(=O)C[C@@H]1CC[C@H](C)C1)c1ccccc1 757597793 HVZPWZGWICPNCD-UXLLHSPISA-N 269.388 3.694 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2cc(F)ccc2[N+](=O)[O-])c1 752876282 XFTHRRUNQFCWEA-QPJJXVBHSA-N 296.257 3.502 30 20 CHED CCCCCCCOC(=O)Cc1ccc(C#N)cc1 750249513 HDOJCHXDPQLGDO-UHFFFAOYSA-N 259.349 3.614 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](C#N)CC(C)C 758969214 LAXOKIJVYYHQAH-PINLSGDHSA-N 290.794 3.798 30 20 CHED CC1(C)CC(=NNc2c(F)cccc2F)C(C)(C)O1 755892497 WGCBOCWXKVYXMX-UHFFFAOYSA-N 268.307 3.710 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(C#N)cc2F)C1 759407212 RVJCYRFGYLIYNR-VXGBXAGGSA-N 275.323 3.567 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1cccc(CC#N)c1 49637427 KEUVGYJXSGEGLM-UHFFFAOYSA-N 272.392 3.697 30 20 CHED Cc1ncc(CSc2ccc(C#N)c(C)c2)s1 864048378 UFAHNBYBESUCHV-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C#CCCCOC(=O)c1ccc(-c2cccs2)nc1C 766882550 NIQLWOGBSNHFQI-UHFFFAOYSA-N 285.368 3.689 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 935580566 JLJLHXMEMCVZDV-WDEREUQCSA-N 277.330 3.778 30 20 CHED Fc1cccc(C=NNCc2cnc3ccccc3c2)c1F 764774386 AQFDQVVWRJGVOY-UHFFFAOYSA-N 297.308 3.637 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cnc2ccc(C)cc2c1 860200244 QVPOEPMKMNNOFK-UHFFFAOYSA-N 296.370 3.916 30 20 CHED CC(C)(C#N)CCCCOC(=O)/C=C\c1cccc(O)c1 768748107 SKQKDXAORQMDDW-HJWRWDBZSA-N 287.359 3.669 30 20 CHED Cc1nc(Cl)cc(NN=C2CC[C@H]2c2ccccc2)n1 769791395 ORQLLNNYVLVSBQ-LBPRGKRZSA-N 286.766 3.784 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)C=C3CCCC3)CC2)cc1 767969328 IQZIIXBKMRRYIS-UHFFFAOYSA-N 292.382 3.674 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC2CCC1CC2 1116650945 HYTXSBJVFSIGSN-UHFFFAOYSA-N 260.768 3.586 30 20 CHED C=CC[C@H](NC(=O)C(F)=C1CCCC1)c1ccncc1 763049621 SCPMZPWEPYEIST-AWEZNQCLSA-N 274.339 3.613 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cscn2)c(C)c1 776193162 WSQNCBKVOONWIX-PLNGDYQASA-N 257.358 3.964 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=Nn1c(C)nc2ccccc2c1=O 773186749 JTHSUUPAIRLJIF-CZUORRHYSA-N 295.386 3.531 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1F)c1cscn1 776190539 AGJYAWUPLKEUNB-RJRFIUFISA-N 267.712 3.832 30 20 CHED CC(=O)[C@](C#N)(CCN1CCC[C@@H](C)CC1)c1ccccc1 878002069 MCSKQEQHADLNGX-VQIMIIECSA-N 298.430 3.549 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc3c(c2)CCC3)c1C 1116132008 OJRLCHGAWAKZLN-PKNBQFBNSA-N 294.398 3.905 30 20 CHED Cc1ccc(CC(=O)O[C@H](C#N)C2CCCCC2)cc1C 776361914 KRYVLTZGMMXUDZ-QGZVFWFLSA-N 285.387 3.862 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1116266589 GKKOHTQFMIMMSW-IPMKNSEASA-N 295.426 3.903 30 20 CHED C#CCCCCN[C@H]1CCc2ccc(OC(F)(F)F)cc21 773041908 TUVKAYPOYJENFY-HNNXBMFYSA-N 297.320 3.966 30 20 CHED N#Cc1ccccc1/C=C/C(=O)O[C@@H](C#N)C1CCCCC1 776370168 CRMHXSFYPIUMBR-DVQDXYAYSA-N 294.354 3.587 30 20 CHED C=C[C@H](COC)N[C@@H]1C[C@H](C(C)C)c2ccccc21 1116811417 RGKGVMXFFWFBCW-KBRIMQKVSA-N 259.393 3.662 30 20 CHED CC1(C)CC(=NNc2nc(C(F)(F)F)cs2)CCO1 872356624 VNGCUSCFGLWKAK-UHFFFAOYSA-N 293.314 3.519 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1CCCC(C)(C)C1 776398869 PJLNIFNDXOLNLP-GFCCVEGCSA-N 251.370 3.686 30 20 CHED C[C@H](CC1CCCCC1)/N=C/c1ccc(O)c(O)c1O 775234460 RVOAMRQRRJDOMJ-JDAJCMJVSA-N 277.364 3.581 30 20 CHED O=C(/C=C\c1nc2c(s1)CCCC2)c1cccs1 776263300 RHRHNBHKCUZZTH-FPLPWBNLSA-N 275.398 3.980 30 20 CHED C[C@H]1CC[C@H](C)N1c1nccc(Oc2cccc(C#N)c2)n1 882083564 CDLYDZCHQLKUSX-STQMWFEESA-N 294.358 3.518 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(Cl)cc(Cl)c1 64932104 UGUZRIMPQPNOHP-SECBINFHSA-N 257.164 3.727 30 20 CHED N#CCC[C@H](C#N)CN[C@@H](C1CCCCC1)C(F)(F)F 1120596068 APDTUHTVRHHQIB-YPMHNXCESA-N 287.329 3.531 30 20 CHED CC(=O)Nc1ccc(C(C)=NNc2cccc(F)c2)cc1 781588359 SJOHXELKAWSWNN-UHFFFAOYSA-N 285.322 3.620 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cc(C(=O)O)cs1 782201585 VLUNYYZQWKKEQJ-VOTSOKGWSA-N 272.325 3.651 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(CC(C)C)CC1 785598435 IGPBXNAHILJBFY-INIZCTEOSA-N 251.414 3.873 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1ccc(Cl)cn1 781712396 QGEXOAXBEVLTKX-MRVPVSSYSA-N 292.747 3.586 30 20 CHED N#CCCCNC(=O)Nc1ccc(-c2ccccc2)cc1 783925536 WQOKSKFLWXHVCN-UHFFFAOYSA-N 279.343 3.779 30 20 CHED CCOc1cc(C=O)ccc1OCc1ccc(C#N)c(C)c1 783002140 UQBUJKWBSXFLPG-UHFFFAOYSA-N 295.338 3.657 30 20 CHED C#CCC1(C(=O)N2C3CCCC2CCC3)CCCCC1 788450710 TUQBBEHWKZPPTQ-UHFFFAOYSA-N 273.420 3.894 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C)s1 787039116 XVFLTCJPOFKLQT-QWHCGFSZSA-N 278.421 3.868 30 20 CHED Cc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1F 780187166 CIXHGOYINWWCFV-MLPAPPSSSA-N 268.287 3.662 30 20 CHED Cc1cc2nc(-c3ccccc3)cc(C(=O)NO)c2cc1C 782169128 FEOCIXASCMFWBF-UHFFFAOYSA-N 292.338 3.638 30 20 CHED CC(C)(C#N)CNCc1cccc(Oc2ccccn2)c1 893551436 MDWZSCSVZSWPKL-UHFFFAOYSA-N 281.359 3.513 30 20 CHED Cc1cc(C(=O)/C=C\c2c(C)cc(Cl)cc2C)n(C)n1 789158829 HVTVRGHYQIZJOT-WAYWQWQTSA-N 288.778 3.895 30 20 CHED Clc1ccsc1C=NNc1ncnc2ccsc12 782252778 NVRKHRHBSWQZOW-UHFFFAOYSA-N 294.792 3.852 30 20 CHED C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@](F)(C#N)C1 786439263 YXJHUSYXZKMFID-GWCFXTLKSA-N 286.272 3.704 30 20 CHED CC(=NNc1ccc2ccccc2n1)[C@]1(C)CCCO1 782120334 WCIGJUNZVZSWKI-INIZCTEOSA-N 269.348 3.592 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cc(F)cc(F)c1 785761653 LTMLCQLWSPJXPL-AWEZNQCLSA-N 254.276 3.610 30 20 CHED N#Cc1cccc(C(=O)OCc2cc(Cl)ccc2F)c1 787567275 JHLWIOXJUVXZHY-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1sccc1C 899355946 FTKYRQCAFSAZJY-WAYWQWQTSA-N 261.346 3.811 30 20 CHED C=CCN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 271991587 GHTDRDGKDRQZRV-UHFFFAOYSA-N 289.766 3.540 30 20 CHED CCCCCCCCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 796328192 DLKRWWDHXYUVCW-KGLIPLIRSA-N 295.389 3.840 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1ncccc1F 794993344 MMLIEBVQHUWAHO-UHFFFAOYSA-N 275.302 3.780 30 20 CHED Cc1cccc(C=NN[C@H](C)C(C)(C)C)c1OC(F)F 793116955 VXEXBOCOWYSYPR-LLVKDONJSA-N 284.350 3.955 30 20 CHED C=CC[C@@H](CC)NCc1c(O)ccc(Cl)c1F 798501489 JWMIGZQHCRXQPX-SECBINFHSA-N 257.736 3.629 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)Nc1cc(C#N)ccc1F 1206062444 WRPWVZZCCHEYDW-HBYGRHMLSA-N 289.354 3.644 30 20 CHED COC(=O)c1ccccc1NN=Cc1ccc2occc2c1 794921948 MKZFWJDRLMHEBF-UHFFFAOYSA-N 294.310 3.665 30 20 CHED C=CCC[C@H](CC)Nc1cc(N2CCOCC2)ccc1C 797587465 JZSRZASANTXZFX-INIZCTEOSA-N 288.435 3.988 30 20 CHED Clc1cc(Cl)c2c(c1)CCC2=NNc1cncnc1 794976417 KLSPBYMCLDTFMZ-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 595657421 BOULSGIZZPCVOS-MRXNPFEDSA-N 254.377 3.541 30 20 CHED COc1cccc(C=NNc2ccc(C)cc2)c1F 799865027 VEKUZHGBTYADCP-UHFFFAOYSA-N 258.296 3.589 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@@H]1CCSC1 790598240 KPQOQTKGVHOGMF-NJPLLEPOSA-N 271.385 3.717 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1nc2ccccn2n1 790200224 RPURJDUZSUVFQY-GFCCVEGCSA-N 273.384 3.589 30 20 CHED N#C[C@H](NC(=O)c1ccsc1Cl)C1CCCCC1 597342500 MIZYIOXRYQRVON-NSHDSACASA-N 282.796 3.604 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(C#N)c2)C1 799340187 HSODGFLHXUTWPK-CJNGLKHVSA-N 270.376 3.565 30 20 CHED CCCCCCCN(C)[C@@H](CO)c1ccc(OC)cc1 740877725 XXSGIJCOXFWURI-KRWDZBQOSA-N 279.424 3.631 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)nc2)c(Cl)c1 767807991 DVJNBNNWHPWAJJ-UHFFFAOYSA-N 278.142 3.872 30 20 CHED Cc1ccc(N[C@H](C)c2cccc(C#N)c2)c(C)n1 94664260 YKRNQBBMRDARRK-GFCCVEGCSA-N 251.333 3.743 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2cc[nH]c2c1 1308391209 VQHWHUFOMXMIOJ-GOSISDBHSA-N 287.366 3.817 30 20 CHED CC(C)(C)ON=Cc1cnn(Cc2ccccc2Cl)c1 1319685567 WTSCPLSGVRZUQC-UHFFFAOYSA-N 291.782 3.734 30 20 CHED Cc1cc(NCCc2ccc(C#N)cc2)nc(C2CCC2)n1 1163715932 VGZXNXVMDUMSCX-UHFFFAOYSA-N 292.386 3.579 30 20 CHED N#Cc1cnc(Sc2ccccc2Cl)c(F)c1 1161974905 NACZZRFLSRLQCQ-UHFFFAOYSA-N 264.712 3.897 30 20 CHED Cc1nc(CON=Cc2ccc(Cl)cc2)c(C)s1 1319666597 SWPDEIUEIGMYSL-UHFFFAOYSA-N 280.780 3.964 30 20 CHED C=C(Cl)CNCc1ccc(OC)c(OCC(C)C)c1 1177905525 QKFCGPJEFJWWIA-UHFFFAOYSA-N 283.799 3.572 30 20 CHED N#CCc1cccc(N[C@H]2CCCOc3ccc(F)cc32)n1 1325711022 ZUCSPMRRMDPVAJ-HNNXBMFYSA-N 297.333 3.613 30 20 CHED N#Cc1cccc(-c2nnc(Cc3cccc(Cl)c3)o2)c1 1254414885 AWWSRJSMKGIGSM-UHFFFAOYSA-N 295.729 3.852 30 20 CHED CN(C(=O)c1csc(C#N)c1)[C@H]1CCC[C@H]1C(C)(C)C 1325342665 YQWSLOOKVAQSAS-KGLIPLIRSA-N 290.432 3.907 30 20 CHED C=C(C)CCC(=O)N1CCO[C@@H](c2ccc(CC)cc2)C1 1338964775 SJPPPENFDWOVGL-QGZVFWFLSA-N 287.403 3.505 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)/C=C/C1CCCCC1 1339028923 REYMTVKEKXSWQZ-VOTSOKGWSA-N 289.766 3.682 30 20 CHED CC(C)(C)CCCC(=O)Nc1ccc(OCC#N)cc1 1251619161 AOILEXARZUIDNH-UHFFFAOYSA-N 274.364 3.744 30 20 CHED C=C(C)CCC(=O)Nc1ccc(-c2coc(C)n2)cc1 1337245672 VEOVVYLKPYHQQO-UHFFFAOYSA-N 270.332 3.945 30 20 CHED C=C(C)CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1262584992 PPGOLYQSGSDIHQ-UHFFFAOYSA-N 295.304 3.529 30 20 CHED C=C(CNC(=N)Nc1ccc(C)cc1)c1ccccc1 1346588984 UPGWBBUKNKVWKI-UHFFFAOYSA-N 265.360 3.645 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(Cn2cccc2)cc1 1342661371 YDANLSAKGRPIIP-MRXNPFEDSA-N 296.370 3.631 30 20 CHED Cc1ccc2[nH]c(C(=O)O[C@@H](C#N)C3CC3)c(Cl)c2c1 1343994741 VIZODVNULGVBIL-LBPRGKRZSA-N 288.734 3.589 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1343310851 CFPTXAIENXJUAS-GAJOTYCWSA-N 280.302 3.500 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1cccc(C#N)c1 1342631616 SOPYBXMEPXWKFM-OAHLLOKOSA-N 263.312 3.520 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CC[C@@H](C)[C@H]1CC 1351819171 MUHJIVVSLIUIMT-FRRDWIJNSA-N 294.468 3.513 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1cc(C#N)c(F)cc1F 1438608103 BGTHWZHICOTINK-CQSZACIVSA-N 284.281 3.693 30 20 CHED C=C(Cl)CNC(=O)C1=C(c2ccccc2)CCCC1 1293719929 FTURDJJMOVLDIB-UHFFFAOYSA-N 275.779 3.883 30 20 CHED N#CC[C@@H](C(=O)N[C@H]1CC12CCCCC2)c1ccccc1 1520889927 RDKYSECGYSNKHH-CVEARBPZSA-N 282.387 3.523 30 20 CHED CN(C(=O)c1ccc(F)c2occc12)c1ccccc1C#N 1525845043 DMTIOZQBLUQXTF-UHFFFAOYSA-N 294.285 3.720 30 20 CHED Cc1ccc(C(=O)N2CCCc3cc(C#N)ccc32)c(F)c1 1526493512 GGVYLSOQIRYYKE-UHFFFAOYSA-N 294.329 3.599 30 20 CHED N#CCSCc1nc(-c2cccc3ccccc23)no1 225269417 LYSYSTPDBRGSTJ-UHFFFAOYSA-N 281.340 3.647 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(C)c(N3CCCC3)c2)n1 1612868276 USMZSZAZWAWDPL-UHFFFAOYSA-N 292.386 3.914 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2c(C)[nH]c3ccccc23)c1 1629825341 CDGNYROIWLXBSV-UHFFFAOYSA-N 289.338 3.909 30 20 CHED C=CCC1(C(=O)OCc2ccc(C(=O)O)o2)CCCCC1 1573352900 MRENRTTUUFUCPQ-UHFFFAOYSA-N 292.331 3.548 30 20 CHED Cc1cc(NCc2coc(-c3cccs3)n2)ncc1C#N 1642143954 VZVHMOWRPNYODG-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cc2cnccc2o1 1657634765 PPILDBHODSICIP-LBPRGKRZSA-N 293.326 3.731 30 20 CHED CCCC[C@@H](CCC)CNc1cc(C#N)nc(C)n1 1655250975 WMWCLYQPEWVJSX-CYBMUJFWSA-N 260.385 3.675 30 20 CHED N#Cc1cnc(NCc2cccc3[nH]ccc23)c(Cl)c1 1652155028 OSUOISXVOAYZJC-UHFFFAOYSA-N 282.734 3.700 30 20 CHED CCOc1cc(F)ccc1NCc1ccc(C#N)s1 122682913 AXSKGHRRNYVJFK-UHFFFAOYSA-N 276.336 3.770 30 20 CHED CSc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1C(=O)O 1599820754 LNPJRMUXOOGLDK-JTQLQIEISA-N 292.404 3.847 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1sccc1C#N 1663159714 PQOHWFGPKDTJHX-VHSXEESVSA-N 265.382 3.566 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2cc(C#N)ccc2F)c1 1670757747 NNYIGLDSAQGJQA-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CCCCCCC[C@H](CC(=O)O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1776783166 GSAFTJXHRVPWSL-MWDXBVQZSA-N 293.451 3.992 30 20 CHED C=CCC[C@@H](NCc1ccc(SC)c(Cl)c1)C(=O)O 1776167027 IYKVGIFECKCXFT-GFCCVEGCSA-N 299.823 3.571 30 20 CHED Cc1cccc(NN=C2CC[C@@H](CC(=O)O)[C@H]2C)c1Cl 1776106698 QZTFYTUAWGOTKX-MNOVXSKESA-N 294.782 3.937 30 20 CHED COc1ccc([C@H](C)N(C)Cc2cc(F)ccc2C#N)cc1 158347105 ZDAYNYMKLYBNAA-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED CC(C)c1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)no1 160096523 GBKAYTQVGHWMFC-NSHDSACASA-N 284.315 3.588 30 20 CHED CC(C)(C)C1=CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 160767343 CRABRFPISAVVMZ-UHFFFAOYSA-N 285.347 3.649 30 20 CHED CC[C@H](C#N)OC(=O)/C(C)=C/c1ccccc1Cl 166944617 LLPQXQSRUYUCLY-ZJNQMXKESA-N 263.724 3.589 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(CC#N)cc1 157874446 VOONDHUPDSEPRH-UHFFFAOYSA-N 285.391 3.963 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1ccccc1OC 135678449 QMOICCHURZVUNT-OAHLLOKOSA-N 286.400 3.869 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)c2ccc(C)s2)c1 891963147 BMRQVNHRYQAASH-NSHDSACASA-N 257.362 3.805 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)cc1 36937545 LNIQHXFVKDXWQL-ZDUSSCGKSA-N 284.790 3.932 30 20 CHED CCC(CC)CN(CC)CCOc1cccc(C#N)c1 48335132 JXIWEFSWOCRYJF-UHFFFAOYSA-N 274.408 3.695 30 20 CHED Cc1cc(N[C@H](C)Cc2ccc(C)s2)cc(C#N)n1 308282151 XMMMRLUOEVGHJH-LLVKDONJSA-N 271.389 3.675 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(Cl)c(F)c2)c1 308214420 YRHHJVRQMZBLBJ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCN(C)C[C@H]1CCCO[C@H]1c1ccccc1 606897492 VXWSAPXARIFHIW-SJORKVTESA-N 259.393 3.662 30 20 CHED C=CCOc1ccc(CNCc2ncc(Cl)s2)cc1 352950232 MMOYUPGCPYISPM-UHFFFAOYSA-N 294.807 3.651 30 20 CHED C[C@@H](N[C@H](C1CCC1)C1CC1)c1cccc(C#N)c1 325062175 SUVHFZRBLGXXML-SJKOYZFVSA-N 254.377 3.788 30 20 CHED Cc1cc([C@H](C)NCCc2cccc(C#N)c2)cs1 453233185 YWHNYNVUJMOZNX-ZDUSSCGKSA-N 270.401 3.822 30 20 CHED C[C@H]1C[C@@H](C)CCN(Cc2ccc(C#N)c(F)c2)C1 361872524 HOYRXVNDHURLJN-STQMWFEESA-N 260.356 3.565 30 20 CHED C[C@@H](CCCCO)Nc1ccc(C(F)(F)F)cc1C#N 398569098 HGZLNTLDARMGOY-JTQLQIEISA-N 286.297 3.540 30 20 CHED Cc1cccc(NC(=S)NN=C2CCCCC2)c1C 6288429 CONBIKLRPFWRPF-UHFFFAOYSA-N 275.421 3.910 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc2c(c1)OCO2 7743643 IRZKTLJMYXXIBK-HWKANZROSA-N 272.325 3.681 30 20 CHED COc1ccc(CN(CCCCC#N)[C@H](C)C2CC2)cc1 57620171 SDACVPLREOSDFM-OAHLLOKOSA-N 286.419 3.990 30 20 CHED C[C@H](C(=O)OCc1ccc(C#N)cc1)c1ccccc1F 109024259 YZKFYIHKKKAGAR-LBPRGKRZSA-N 283.302 3.544 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC(C)C)c1ccccc1 341876555 NFLJQVXUAYXHQS-WBVHZDCISA-N 261.409 3.548 30 20 CHED COCC[C@H](C)CNc1ccc(C#N)c(C(F)(F)F)c1 413494973 RCLGWCMYNCVRSB-JTQLQIEISA-N 286.297 3.662 30 20 CHED CC(C)n1cc(C(=O)/C=C/C2=Cc3ccccc3OC2)cn1 102598852 KTAZQFYZRFGSTJ-BQYQJAHWSA-N 294.354 3.679 30 20 CHED C=CCCCC(=O)NCCc1c[nH]c2c(CC)cccc12 175624882 JRFWSNFJIYFWCW-UHFFFAOYSA-N 284.403 3.745 30 20 CHED C=CCN(Cc1ccccn1)Cc1ccc(Cl)s1 104944015 LBACPNZCMNMUOD-UHFFFAOYSA-N 278.808 3.985 30 20 CHED CCOc1ccccc1CCNCC(C)(C)CCC#N 174357434 XWQSVCWAGICQTB-UHFFFAOYSA-N 274.408 3.547 30 20 CHED C#CC(C)(C)NC(=O)Nc1cc(Cl)cc(Cl)c1 227943622 QAKJPZIMEWGXKZ-UHFFFAOYSA-N 271.147 3.527 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc(CC#N)c1 176915845 VWJMVKVTAYSRJD-NVXWUHKLSA-N 284.403 3.793 30 20 CHED N#CCC1(COC(=O)/C=C/Sc2ccccc2)CC1 174736417 IVVJSMZBDWLWME-IZZDOVSWSA-N 273.357 3.529 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)c1)c1cc(F)cc(F)c1 119970593 XVZHHRLUWOOOFI-SNVBAGLBSA-N 287.265 3.754 30 20 CHED CCCCCC[C@H](C)C(=O)NCc1ccc(C#N)cc1 172751598 HKXYDEVRBQYHMP-AWEZNQCLSA-N 272.392 3.781 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 114756927 XBBPXCFPWFPQOV-QMMMGPOBSA-N 273.760 3.725 30 20 CHED Cc1c(C#N)cccc1NCc1nc(-c2ccsc2)no1 179056618 VHWPMWYOFMOFDN-UHFFFAOYSA-N 296.355 3.590 30 20 CHED Cn1c(SCCCC(C)(C)C#N)nc2ccccc21 177144205 CZWAMSPLWLKESI-UHFFFAOYSA-N 273.405 3.995 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1(C)C 408464539 FEZNOLGVCPZPEN-CYBMUJFWSA-N 287.407 3.563 30 20 CHED N#Cc1cccc(/C=C2\Cc3ccc(F)cc3C2=O)c1 176410069 RMYBTMYSVARROQ-VGOFMYFVSA-N 263.271 3.520 30 20 CHED C=C(C)CN(CC)Cc1ccc(SC)c(OC)c1 69219889 ZDVIVECCVREEAI-UHFFFAOYSA-N 265.422 3.815 30 20 CHED CCC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1C#N 179511478 QBIUGKJTNSSLJZ-MRXNPFEDSA-N 299.418 3.541 30 20 CHED C#CCCCNCc1cnc(-c2ccc(C)cc2)s1 174614727 XYUPQARJWYBAKH-UHFFFAOYSA-N 270.401 3.622 30 20 CHED CN(CC[C@H]1CCCO1)c1ccc(C#N)cc1C(F)(F)F 302718925 OETLBTDWIOXFKS-GFCCVEGCSA-N 298.308 3.582 30 20 CHED CC(C)C[C@@H](CCO)CNc1ccc(Cl)cc1C#N 301420961 IHMQDYXRZJSIQS-GFCCVEGCSA-N 280.799 3.668 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccccc1C#N 120932075 PDIAQIUICQYOSN-CMDGGOBGSA-N 277.323 3.771 30 20 CHED N#Cc1cccc(-c2nnc([C@@H]3CCCCS3)o2)c1 1261570609 XOVHCVGYEAGUEO-LBPRGKRZSA-N 271.345 3.566 30 20 CHED CC(C)=CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 68458092 OJDFDAIMSAHLKY-LBPRGKRZSA-N 283.158 3.640 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@H]1COc1ccccc1 301256853 KMDSFNRLFUDODP-AWEZNQCLSA-N 296.345 3.745 30 20 CHED Cc1cc2cc(CN3CCC(C#N)CC3)oc2cc1C 123735304 LAOFXMNEDFOZFD-UHFFFAOYSA-N 268.360 3.785 30 20 CHED C=C(C)CN(C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 181249615 ANSPDFGYFVEJJL-LBPRGKRZSA-N 289.354 3.753 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc(Oc3cnccn3)c2)C1 185726626 XAIKPNGDPKHDMF-ZIAGYGMSSA-N 294.358 3.763 30 20 CHED C=CCCCN(C)Cc1ccc(OC(F)F)c(OC)c1 172173533 KTWSJEGCMXSHCP-UHFFFAOYSA-N 285.334 3.695 30 20 CHED Cc1cc2cc(C(=O)OCC3(C#N)CCC3)oc2cc1C 187634242 RMELUZFSAGSWID-UHFFFAOYSA-N 283.327 3.900 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 180948691 HASAVOYTIUSNNH-NEPJUHHUSA-N 278.352 3.609 30 20 CHED C[C@H]1CCC[C@H](NCc2ccc(N(C)CCC#N)cc2)C1 73650785 KSDMJKLHIBZJOX-RDJZCZTQSA-N 285.435 3.705 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(CC#N)cc2)CC1 189707250 GGZRIGMDZIHMTA-HIFRSBDPSA-N 285.391 3.843 30 20 CHED C=C(C)[C@H](NCc1cc[nH]c1)c1ccc(F)c(F)c1 187369539 MHJJBYPWFKZJQK-HNNXBMFYSA-N 262.303 3.700 30 20 CHED CCOc1cc(F)ccc1N[C@H]1CCC[C@H](C#N)C1 185732357 OQXLGVRSNCRJNS-AAEUAGOBSA-N 262.328 3.719 30 20 CHED CCN(CCC#N)C(=O)Nc1cccc(CC(F)(F)F)c1 78630118 MDXPCZWEMSHONO-UHFFFAOYSA-N 299.296 3.559 30 20 CHED N#Cc1c(NC(=O)CCC2CC2)cccc1OC(F)(F)F 411108367 DAWJDTSTTIVOAU-UHFFFAOYSA-N 298.264 3.586 30 20 CHED Cc1cccc(OC[C@H](C)Nc2cccc(F)c2C#N)c1 507019770 AQBLAHSBOXMKGD-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] 489397687 FPWOQISAEOUYEU-ZDUSSCGKSA-N 280.755 3.789 30 20 CHED CC[C@](C)(C#N)C(=O)NCC1(c2cccc(C)c2)CCCC1 509154225 NGTPMNHMIKLGCF-GOSISDBHSA-N 298.430 3.863 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(SCC)cc1 504719669 CGJAHCRRCATTRR-LBPRGKRZSA-N 263.406 3.942 30 20 CHED CSCCCCC(=O)Nc1ccc(Cl)cc1CC#N 410962326 CNEIDBPXFOHLOT-UHFFFAOYSA-N 296.823 3.878 30 20 CHED C=CCNC(=O)Nc1ccc(NC[C@H]2CC=CCC2)cc1 123044613 CLTKJEURDGPFJQ-AWEZNQCLSA-N 285.391 3.762 30 20 CHED Cc1ccc(C(C)C)c2c1C(=O)/C(=C/c1ccnn1C)CO2 125376182 SDKFFGHPNLBEFA-UKTHLTGXSA-N 296.370 3.511 30 20 CHED CC(C)C[C@@H](NCC(C)(C)CC#N)c1ccccn1 414168279 QLPFZJDQNINXOY-OAHLLOKOSA-N 259.397 3.698 30 20 CHED Cc1ccc(Cl)c(NCC(=O)Nc2ccc(C#N)cc2)c1 124501229 HGCLNSWQSWONGZ-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1cccc2cc(C(=O)NCC3(C#N)CCC3)sc12 416350295 IZLUPIRRKJCWFF-UHFFFAOYSA-N 284.384 3.633 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 120353509 IMSOXVPSCRKLOY-GFCCVEGCSA-N 291.366 3.758 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnc(C(C)(C)C)s1 410127266 KYEJCVJTXOTUHD-SNVBAGLBSA-N 266.410 3.525 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CCC1 189557972 BSQALNYWXWAKAG-QGZVFWFLSA-N 298.430 3.836 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@@H](C)CCSCC 410529398 ANORMXHZQSSJTO-LBPRGKRZSA-N 257.443 3.579 30 20 CHED C=CCOc1cccc(CN[C@@H](C)[C@@](C)(OC)C2CC2)c1 414495824 CHRUBYNLSCQTTM-KBXCAEBGSA-N 289.419 3.545 30 20 CHED C=C1CCN(C(=O)C[C@@H](CC)c2ccc(OC)cc2)CC1 503029269 DLQHZODVZAKLKK-OAHLLOKOSA-N 287.403 3.758 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1cccc(SC)c1 187946931 PFMCHHCWXGRIGG-HNNXBMFYSA-N 263.406 3.974 30 20 CHED N#C[C@H](C(=O)C1CCC(C(F)(F)F)CC1)c1ccccn1 216365740 UKFVUPHLOSMIDI-MCIGGMRASA-N 296.292 3.627 30 20 CHED C/C=C(\C=C\C(=O)Nc1ccccc1O[C@@H](C)C#N)CC 180353231 IEVOERJWUFJIRY-YTLJUBFZSA-N 284.359 3.828 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1CC12CCCCC2 181265009 YCTFRMYANBAPAQ-SECBINFHSA-N 267.785 3.803 30 20 CHED COC1CCC(Nc2cccc(OCCCC#N)c2)CC1 130010687 NBRQJIYICVSFCR-UHFFFAOYSA-N 288.391 3.739 30 20 CHED C=CCCCCCN(C)C(=O)c1cn(C)nc1C1CCC1 413490680 WSCSWAKCPXQMBW-UHFFFAOYSA-N 289.423 3.506 30 20 CHED C[C@H](CC1CCCCC1)/N=C(/O)[C@@H]1CCc2n[nH]cc2C1 329936215 CYWCZCZCAOIMLS-TZMCWYRMSA-N 289.423 3.830 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCc2cc(F)ccc21 190990711 CUOVFBCFFOTYJE-GOEBONIOSA-N 261.340 3.532 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(F)cc2Cl)c1 84058716 UDWOPYXCBZHQDU-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccco2)cs1 190746109 GHGVAJGEKRZGDX-AWEZNQCLSA-N 276.361 3.944 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCC(C)(C)c1ccccc1 131184736 PEQSIOAOMJXCFM-OAHLLOKOSA-N 286.419 3.753 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(-c2ccccc2)n1 340100098 FUVWYMMWAFRFKR-LBPRGKRZSA-N 271.389 3.544 30 20 CHED Cc1nnsc1C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329241869 SBEKCCNENAIXAL-RWMBFGLXSA-N 293.436 3.910 30 20 CHED CC(=O)c1ccc(OCc2cn3ccccc3c2C#N)cc1 199026391 CFXYWPUQSQDHOS-UHFFFAOYSA-N 290.322 3.593 30 20 CHED Cc1ncc(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(C)n1 329207400 FDWXUKCZIZXBHR-SOUVJXGZSA-N 287.407 3.757 30 20 CHED CC(C)(NCc1ccc(C#N)c(F)c1)c1cccc(F)c1 192157772 YAXZVRMQAOHPMT-UHFFFAOYSA-N 286.325 3.861 30 20 CHED CC1(C)CCC[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 133680369 NRRWBSREUIHWBP-HZPDHXFCSA-N 299.418 3.909 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(CC)CCC#N)cc1 133408354 KWMRXAUJQWUJQW-AWEZNQCLSA-N 272.392 3.505 30 20 CHED C=CCC[C@@H](CCC)NCc1cc2ccccc2n(C)c1=O 426343278 OZOVIMQCSAGROF-QGZVFWFLSA-N 298.430 3.763 30 20 CHED CC(C)[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 49603915 ASXRGPWDPXKAOT-GOSISDBHSA-N 292.382 3.880 30 20 CHED N#Cc1ccc(CNC[C@@H]2C[C@H]2c2ccccc2)s1 176967964 QWJAGUXWPXKKKL-BBRMVZONSA-N 268.385 3.513 30 20 CHED C=C[C@@H](CC(=O)N(CC1CC1)CC1CC1)c1ccccc1 134930217 XZPYBMNSLJECEY-KRWDZBQOSA-N 283.415 3.995 30 20 CHED O=C(/C=C/c1ccccc1OC(F)F)c1ccncc1 192761726 PRSMMFVQPSTYTK-AATRIKPKSA-N 275.254 3.579 30 20 CHED CC(C)[C@@H](C(=O)NCc1ccc(C#N)s1)c1ccccc1 421600865 ITPYXPCCDCWMPL-MRXNPFEDSA-N 298.411 3.676 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c(OC(F)F)c1 426457658 YRDSCLKXDWBXSA-JSGCOSHPSA-N 292.329 3.534 30 20 CHED C=CCN(C)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 428285678 OYUXZWGUGNRJKY-UHFFFAOYSA-N 280.780 3.655 30 20 CHED C=C(C)CN(CC)Cc1cc(-c2ccc(F)cc2)no1 46055694 PDMPFLFPFNPEPV-UHFFFAOYSA-N 274.339 3.879 30 20 CHED N#Cc1ccc(/C=C/c2cc(Br)cs2)nc1 193447136 JKWBKWWJNHXTEB-ONEGZZNKSA-N 291.173 3.948 30 20 CHED CC1(C)CCC[C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C1 333761219 PFSZHKWNFXCPNT-KSSFIOAISA-N 288.435 3.793 30 20 CHED Cc1cccc2c1CC[C@@H]2NCc1cc(C#N)cs1 531356119 RSWBYFCEVXLURL-INIZCTEOSA-N 268.385 3.705 30 20 CHED N#CCCC1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 335470550 QGWWEKFINTWBNM-UHFFFAOYSA-N 297.402 3.723 30 20 CHED Cc1c(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc(F)c1F 334874373 YLMUQNLWWKDOGT-INIZCTEOSA-N 290.313 3.686 30 20 CHED C=CC[C@H](CC)NC(=O)c1nc(-c2ccccc2)cs1 338278193 VXIVMLXAJSFNFR-ZDUSSCGKSA-N 286.400 3.895 30 20 CHED N#Cc1ccnc(Oc2ccc(F)cc2F)c1Cl 236257577 RCPZXXFMPPKKJP-UHFFFAOYSA-N 266.634 3.677 30 20 CHED C=CC[C@H](C(=O)NCc1ccncc1CC)c1ccccc1 427940599 DPBZBTZZDOZVIO-SFHVURJKSA-N 294.398 3.620 30 20 CHED CC(C)CCN(C/C=C\c1ccccc1)CCC#N 513727835 APGBZRFTZDGDLY-POHAHGRESA-N 256.393 3.962 30 20 CHED N#Cc1cccc(Oc2ccc(-c3ccccc3)nc2)n1 91682442 RJVBDQYSKMDBBP-UHFFFAOYSA-N 273.295 3.808 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)C1 235183871 JMLCBVNPHMYJSY-TZMCWYRMSA-N 264.369 3.783 30 20 CHED Cc1cccnc1[C@H](N/C(O)=N/[C@@H]1CC[C@H](C)C1)C(C)C 331243816 ZGOQSURFWZIYQS-NWANDNLSSA-N 289.423 3.779 30 20 CHED C=CC[C@@H](C)/N=C(/O)Nc1ccc2c(c1)CC(C)(C)O2 330960892 JJCWYFFLCNFPFY-LLVKDONJSA-N 274.364 3.691 30 20 CHED CCN(Cc1cc(C)c(OC(F)F)c(C)c1)C[C@H](C)C#N 91982890 MGPUUQAHWMWRJU-LLVKDONJSA-N 296.361 3.886 30 20 CHED C[C@@H]1CCC[C@@H](C)C1N[C@H](C(=N)O)c1ccc(C#N)cc1 331358633 VLEWTHWOFZVEAZ-HSMVNMDESA-N 285.391 3.549 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C#N)c(F)c2)C1 334156862 ZUQOPLCOWUGCJK-ACJLOTCBSA-N 295.361 3.675 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(C#N)c1 521274219 UZRLHWNMNGEEMA-TZMCWYRMSA-N 256.349 3.713 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H](c2ccccc2)C1 431946586 QYWUEFCTTHAQCQ-HOCLYGCPSA-N 272.392 3.540 30 20 CHED C[C@H]1[C@H](C)CCN1CC#Cc1ccc(OC(F)(F)F)cc1 437573443 BISPHGWJLWXNNI-OLZOCXBDSA-N 297.320 3.667 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 246566286 LDDCUGYJLDOBMN-ZMSDIMECSA-N 270.376 3.584 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccc2ccoc2c1 436350228 GCNXFHRWKCXCMO-UHFFFAOYSA-N 259.268 3.920 30 20 CHED Cc1ccc2oc(SCCC(C)(C)C#N)nc2n1 344077874 RFALPURPADDYRQ-UHFFFAOYSA-N 261.350 3.563 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCc2c(F)ccc(F)c21 435673241 MYNBGAZHVQUXRN-KCTSRDHCSA-N 293.357 3.523 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)C(C)C 436301984 QIJCPWVTRKDULE-KSZLIROESA-N 273.420 3.955 30 20 CHED CC1(C)CCCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 527089387 QHPZTEOIDRQDRD-UHFFFAOYSA-N 290.794 3.864 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3OC(C)(C)C2)CCC1 345483737 WYZCUXLBMQHDKT-UHFFFAOYSA-N 299.414 3.933 30 20 CHED C=CCCSc1nc(N)c2c(C)c(C)sc2n1 606755207 XLZFQDKRTQHRNT-UHFFFAOYSA-N 265.407 3.559 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] 435583590 JZXOKNALNBBVIF-YGRLFVJLSA-N 296.754 3.641 30 20 CHED CC(=O)Nc1ccc(NCCC(C)(C)C#N)c(Cl)c1 345416091 SULCJMIEUGCBIU-UHFFFAOYSA-N 279.771 3.650 30 20 CHED CCCCc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 608820441 DXISLPXLVZKJIN-MRXNPFEDSA-N 272.392 3.697 30 20 CHED CCC(CC)[C@@H](C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 434037232 PDNNQAZGPGUKAA-OCCSQVGLSA-N 264.413 3.599 30 20 CHED COc1ccccc1CC(C)(C)NC[C@H](C)CCC#N 602537879 BSBKKMNVDWKPOW-CQSZACIVSA-N 274.408 3.546 30 20 CHED Cc1cc(CN(C)c2nc3c(cc2C#N)CCC3)ccc1F 436428375 JSIGCMXRGXGHOK-UHFFFAOYSA-N 295.361 3.526 30 20 CHED C[C@H](SCC1(C#N)CC1)c1nc(-c2ccccc2)no1 344481208 GWOXKYDNBRPAMG-NSHDSACASA-N 285.372 3.835 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1cc(F)cc(F)c1 254950460 IVEVGKGHGUQTQG-PLNGDYQASA-N 260.239 3.567 30 20 CHED Cc1cc(C#N)ccc1OCC(=O)Nc1c(C)cccc1C 604564804 LGMFOIKKCWQBDR-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CSc1ccc(F)cc1CNc1snc(C)c1C#N 342776758 ACGFWSQBJREGDD-UHFFFAOYSA-N 293.392 3.796 30 20 CHED N#C[C@@H]1CC[C@H](NCCCCCOC2CCCCC2)C1 442792672 OUVVYXFFUIXNHG-CVEARBPZSA-N 278.440 3.788 30 20 CHED C=CCC1(NCc2cnc3n[nH]c(C)c3c2)CCCCC1 449575144 KNOWRVQCMGJBDH-UHFFFAOYSA-N 284.407 3.635 30 20 CHED Cn1cc(NCc2ccc(C#N)cc2)c(-c2ccccc2)n1 344299421 HVCODLWSAMSKQP-UHFFFAOYSA-N 288.354 3.571 30 20 CHED C=CCCCCCN(C)C(=O)CCOc1ccccc1 606815881 GYVXYCCTWKNMKW-UHFFFAOYSA-N 275.392 3.660 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C[C@@H]1CC[C@H](C)C1 602386350 JLLOCNQQTKVNNO-GXTWGEPZSA-N 288.366 3.817 30 20 CHED C/C(=C/C(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 254991197 BQOMFDDNMCEBMG-BHEFUSTPSA-N 282.387 3.679 30 20 CHED C=CCC1(C(=O)Nc2nnc(CCC)s2)CCCC1 449242192 WLJJVXZUADRBJX-UHFFFAOYSA-N 279.409 3.566 30 20 CHED CC[C@H](CC(=O)Nc1ccc(F)c(C#N)c1)C(C)C 609173267 RPVDACSEPMIIAU-LLVKDONJSA-N 262.328 3.708 30 20 CHED CC(C)(CCNC(=O)C1(C#N)CCCC1)c1ccccc1 604387246 HCBZRFODFHBEMC-UHFFFAOYSA-N 284.403 3.554 30 20 CHED C=CCCCCN[C@@H]1CCc2cc(OC)c(OC)cc21 358978659 CRTZOOWAPOQVDO-OAHLLOKOSA-N 275.392 3.637 30 20 CHED Cc1cc(CN[C@H]2CCO[C@@H](CC(C)C)C2)ccc1C#N 444000887 IZESFNNXDMJEOB-ROUUACIJSA-N 286.419 3.550 30 20 CHED C[C@@H](CCC#N)CNc1ccccc1OC(F)F 602490335 SIIFXBGKZRIIHL-JTQLQIEISA-N 254.280 3.640 30 20 CHED Cc1ccc(/C=C\c2nc(SCCCCC#N)n[nH]2)o1 355848460 WJVRFSMVWWXJHO-FPLPWBNLSA-N 288.376 3.663 30 20 CHED CC(C)=CCC/C(C)=C/C=Nn1c(C)cc(C)c(C#N)c1=O 263627921 YJYWOHJALRTAEQ-YTYLRHJBSA-N 297.402 3.863 30 20 CHED C=CCN(C(=O)c1ccc(C)nc1OCC)c1ccccc1 357970149 FYZLWJQVXFHCDJ-UHFFFAOYSA-N 296.370 3.622 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(C)c(C)c1 618163384 DULHMYXCBXFZNJ-UHFFFAOYSA-N 271.404 3.731 30 20 CHED CS[C@@H](C)CCC(=O)N[C@H](C#N)c1ccccc1Cl 358401806 IZZDKLJISGEEJS-GXFFZTMASA-N 296.823 3.553 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccccc1-n1cccn1 539446383 LVJGMIGBCZLMON-AWEZNQCLSA-N 298.390 3.739 30 20 CHED CC(C)[C@@H](CC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612241221 WWXCKUWCYHTXKJ-IEBWSBKVSA-N 298.430 3.969 30 20 CHED CCS[C@@H]1CCCCN(c2nc(C)cc(C)c2C#N)C1 350730897 WGRSJEMMEVVCNV-CQSZACIVSA-N 289.448 3.682 30 20 CHED C=CCCCNC(=O)Nc1cccc(NC(=O)CCC)c1 448014144 NLVRUSIHYUMOBN-UHFFFAOYSA-N 289.379 3.513 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CCc2c(Cl)cccc21 611414106 KSBKJCHVSHXJJD-CQSZACIVSA-N 290.794 3.520 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H](C)C1 444142192 KGVOOEAVLXZWAX-DOTOQJQBSA-N 286.419 3.615 30 20 CHED CCc1cc(C#N)ccc1OCc1nc(C)sc1C 442079374 AYBFBLIDWFANCY-UHFFFAOYSA-N 272.373 3.773 30 20 CHED C=CCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H](C)COC 617573834 MKVBTDKWCRWOIW-CQSZACIVSA-N 289.419 3.647 30 20 CHED CC[C@H](CC#N)NC1CCC(OC2CCCC2)CC1 449241652 BUCYVLTZERWDPU-VQCLRJIVSA-N 264.413 3.539 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1CC12CCCCC2 536519250 DIQKRXJKMYBBJK-INIZCTEOSA-N 285.387 3.704 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@H](C)c1c[nH]c2ccccc12 618683237 MIJJESPBWLCEPO-UONOGXRCSA-N 297.402 3.716 30 20 CHED CCN(CCC(F)(F)F)C(=O)Nc1cccc(C#N)c1C 610905615 YDHASYNYKSWJGF-UHFFFAOYSA-N 299.296 3.673 30 20 CHED CCc1cccc(C)c1NC(=O)N1CCC[C@](C)(C#N)C1 612290620 FYHJJFNGJJEZIO-QGZVFWFLSA-N 285.391 3.715 30 20 CHED C=C(C)[C@H](NC[C@@H](F)CC)c1ccc(F)c(F)c1 440501022 CYQPUTWYIFWWQY-FZMZJTMJSA-N 257.299 3.920 30 20 CHED C=C1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 533282135 RNRFIYLCQREJGV-ZDUSSCGKSA-N 292.810 3.627 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)c1ccc(F)cc1F 452778879 ZYJAPAUSNXTUBC-LLVKDONJSA-N 281.346 3.787 30 20 CHED Cc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)o1 618803368 IEHDSWJPOQGNRA-MLGOLLRUSA-N 266.344 3.798 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2c2ccc(O)cc2)c1F 611372445 BLYBMKOODWJLPP-KRWDZBQOSA-N 296.345 3.740 30 20 CHED COc1ccc(C#N)cc1NC[C@H]1CCOc2ccccc21 611530356 CNIOAQMPFRPIKR-CQSZACIVSA-N 294.354 3.545 30 20 CHED Cc1cc(-c2nnco2)ccc1N[C@@H]1CCC[C@H](C#N)C1 618574968 QPZFJKWRPGECFG-GXTWGEPZSA-N 282.347 3.539 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(OCC)ccc1Cl 456036555 BQHGLWFYXVDRSV-NSHDSACASA-N 297.782 3.658 30 20 CHED Cc1ccc(-c2ccc(C(=O)N[C@H](C#N)C(C)C)s2)o1 272841361 YFLKQVNWMGICMW-LLVKDONJSA-N 288.372 3.595 30 20 CHED Cc1cn(Cc2nc(-c3cccs3)oc2C)cc1C#N 610915578 YIMQUCZMHSKSPW-UHFFFAOYSA-N 283.356 3.741 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccc(Cl)cc1)C1CC1 459022970 POJLAYHRNYKFMO-UHFFFAOYSA-N 292.810 3.980 30 20 CHED Cc1ccccc1[C@H](N[C@@H]1CC[C@@H](C#N)C1)C1CC1 274631233 OWQBVMQEIZEASG-FRFSOERESA-N 254.377 3.728 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(CCCSCC#N)C2)cc1 278683033 OWLNXJWZYVNPKY-NVXWUHKLSA-N 288.460 3.820 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)CC1 457911496 GALXLDUCTMYDEW-NSHDSACASA-N 290.432 3.555 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCC1(C)C 540487129 MYYYLHUPANLVQJ-CHWSQXEVSA-N 252.402 3.609 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H](C)Cc1ccccc1Cl 611082065 GXRMZTSKTHAJBS-OCCSQVGLSA-N 292.810 3.573 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCO[C@H](CC)C2)CCCCC1 456364483 JTSJFWXBDRSFHG-JKSUJKDBSA-N 293.451 3.977 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)NCCCCC#N)c2ccccc21 279565442 NVPWGKNDVRPYBB-IAGOWNOFSA-N 299.418 3.864 30 20 CHED C[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1c(F)cccc1F 274339751 ODYHDXOWAVSIIS-QFYYESIMSA-N 294.345 3.513 30 20 CHED CO[C@H]1C[C@@H](N(C)CCCCC(C)(C)C#N)C12CCC2 451865356 KFGLUYJAPOLZJP-CABCVRRESA-N 278.440 3.596 30 20 CHED CC(C)[C@@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 542918072 RQIAHCNORSBGDL-QGZVFWFLSA-N 284.403 3.578 30 20 CHED C=C(C)Cn1c(N2CCCC3(CC3)C2)nnc1C(C)(C)C 549253287 RMUUDDFLFJDHMB-UHFFFAOYSA-N 288.439 3.532 30 20 CHED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)s1 545969638 OITCZMHKBRPRHC-HNNXBMFYSA-N 296.395 3.987 30 20 CHED CC1(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]2C[C@H]2C1 549684995 BHYWWEAZODJRKO-STQMWFEESA-N 282.387 3.862 30 20 CHED C=CCSCCNC[C@@H](C)Cc1ccc(OC)c(F)c1 547004480 YGBRNPOHMBTEDC-ZDUSSCGKSA-N 297.439 3.522 30 20 CHED Cc1ccc([C@H](c2noc([C@]3(C#N)C[C@@H]3C)n2)C(C)C)cc1 453187670 ZHABTTOKDOANHX-JOQOYGCGSA-N 295.386 3.967 30 20 CHED C=CC(C)(C)CNC(=O)Cc1cccc2ccccc12 452777500 NUSNZKFIEKIIBG-UHFFFAOYSA-N 267.372 3.711 30 20 CHED C=CCCCC[C@@H](C)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 453298000 ZTLVOSAODBTXBQ-CVEARBPZSA-N 294.483 3.735 30 20 CHED CCCCc1nc2cc(NC(=O)CC(C)(C)C#N)ccc2[nH]1 278288234 RARQWOTUZHXIII-UHFFFAOYSA-N 298.390 3.784 30 20 CHED CC(C)Cn1cc(N[C@@H](C)c2ccc(C#N)c(F)c2)cn1 272065770 UQBJYPQUHGJLFN-LBPRGKRZSA-N 286.354 3.723 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1 376391972 PFBFRLKYMOSTSI-NNUKFRKNSA-N 285.297 3.590 30 20 CHED C[C@H]1CN(Cc2ccc(CC#N)cc2)c2ccc(F)cc2O1 544143933 KXPVNQBGKNAGOX-ZDUSSCGKSA-N 296.345 3.679 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1 463292450 UVQPQCCOFDVZFP-CYBMUJFWSA-N 296.345 3.854 30 20 CHED COc1ccccc1-c1nc(CON=C2CCC2)cs1 278325720 YPYOQEDTFSICGG-UHFFFAOYSA-N 288.372 3.875 30 20 CHED Cc1cc(CCNCc2ccc(C#N)cc2)ccc1Cl 462915704 YZZZPROUQRYRJK-UHFFFAOYSA-N 284.790 3.852 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1C1CCCC1 466324755 JCIRAFQOWJWHOT-CABCVRRESA-N 264.413 3.705 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(c2ccc(C#N)nc2)C1 286315639 IJLDJSBRQNVXAI-GUYCJALGSA-N 263.344 3.541 30 20 CHED CC[C@@H](NCCCC1(C#N)CCOCC1)c1ccccc1 282074982 TVHSTTJTSIWSJG-QGZVFWFLSA-N 286.419 3.828 30 20 CHED COc1ccccc1[C@]1(C)C[C@@H]1Nc1ccc(C#N)cc1 462891424 GIZJRZYSQIOICS-ROUUACIJSA-N 278.355 3.709 30 20 CHED CO[C@@]1(C)C[C@H](Nc2cc(Cl)ccc2C#N)C1(C)C 467018315 HMQHKINIBAEYCW-ZFWWWQNUSA-N 278.783 3.827 30 20 CHED C=CC1CCN(C(=O)NCC2(CCC)CCC2)CC1 468502674 ZJFGPRPIFHQIGB-UHFFFAOYSA-N 264.413 3.564 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)c([C@@H](C)O)c1 286291542 ITFPQBBXYJHEHK-LLVKDONJSA-N 277.339 3.586 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H]2CC[C@H](F)C2)c1 554431664 OPOPILPAEFNIRC-JSGCOSHPSA-N 292.354 3.654 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 551240610 OMPSWEFVPUAIRB-CYBMUJFWSA-N 286.419 3.824 30 20 CHED CCOC(=O)c1ccc(C#N)c(SCCC(C)(C)C)n1 551413079 CBMQKSGIWFKRSM-UHFFFAOYSA-N 292.404 3.658 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OC)c(OCC)c1 281448073 SQKXXMLAWPJEDX-GFCCVEGCSA-N 292.379 3.570 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc(C#N)c1 466975430 YHATUKBYGMRPCM-GOEBONIOSA-N 285.391 3.991 30 20 CHED C=C(C)CCc1noc(CSc2ccc(C#N)cc2)n1 285155913 PCIBEFUQSCQKGJ-UHFFFAOYSA-N 285.372 3.742 30 20 CHED C=CC[C@@H]1N(c2nnc(C)n2CC(C)C)CCCC1(C)C 460598754 PTZJLGRAYKJRGX-HNNXBMFYSA-N 290.455 3.814 30 20 CHED CC(C)(C#N)CCN1CCCSc2ccccc21 554053246 JMAWXDZZSCQIIX-UHFFFAOYSA-N 260.406 3.929 30 20 CHED CCCCSCCC(=O)N[C@](C)(C#N)C1CCCCC1 550748348 RGVXQZTWAXNLDS-MRXNPFEDSA-N 296.480 3.889 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@@H](C)C1 558992534 YCPAHBMTCSVKSA-GJZGRUSLSA-N 296.418 3.613 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1[C@@H]1CCC[C@H](C)C1 639402790 CCQPDZYDTAZNHG-VBQJREDUSA-N 284.403 3.893 30 20 CHED C=CCC(CC=C)C(=O)NCCCc1ccccc1F 478111804 NVNGCUZBKSIOPF-UHFFFAOYSA-N 275.367 3.643 30 20 CHED Cc1ccc2nc(/C=C\c3cc(C#N)n(C)c3)ccc2c1 478919803 CPKYGEFYEGVYCI-XQRVVYSFSA-N 273.339 3.924 30 20 CHED C#Cc1cccc(N=C2NN=C(CC(C)(C)C)CS2)c1 806549704 VCYGJWJCXFOLGL-UHFFFAOYSA-N 285.416 3.784 30 20 CHED C[C@@H](SCCCC(C)(C)C#N)C(=O)OC(C)(C)C 479710202 HAOCYXINKAQPRE-LLVKDONJSA-N 271.426 3.780 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H]1[C@H](C)CCC 472835808 AAESRJVFSHSIJR-HUUCEWRRSA-N 266.429 3.953 30 20 CHED C=CCCC1(C(=O)NCC2(C)Cc3ccccc3C2)CC1 476541298 RYHKDYWQJWZQRA-UHFFFAOYSA-N 283.415 3.654 30 20 CHED C=CCC[C@@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1 472451433 VWOOYRHIYJGDKE-QGZVFWFLSA-N 291.822 3.756 30 20 CHED C=CCCCOc1c(OC)cc(C(=O)CC)cc1OC 649445356 CJAISYOEARIPIC-UHFFFAOYSA-N 278.348 3.642 30 20 CHED CCOc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1OCC 299722597 STASBAHQVJAYTA-ZIAGYGMSSA-N 290.407 3.827 30 20 CHED CCCc1ccc(COC(=O)[C@](C)(C#N)CC)cc1 803786553 IKXAEORNCLNNET-INIZCTEOSA-N 259.349 3.622 30 20 CHED C=CCCCCNCc1cc(CC=C)c(O)c(OC)c1 472044049 LQVWETNDBNACBJ-UHFFFAOYSA-N 275.392 3.575 30 20 CHED CCCC[C@@H](SCc1ccc(C#N)c(C)c1)C(=O)OC 475889081 PLHGFQCELWKCBN-OAHLLOKOSA-N 291.416 3.832 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCCN2CCCC)CCC1 479938951 KTOIDUQLIKUKMZ-MRXNPFEDSA-N 292.467 3.504 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1c1nccc(C#N)n1 295493237 KCVRIKHPNAJMGT-IAGOWNOFSA-N 292.386 3.511 30 20 CHED C=CCOc1ccc(CNC(C)(C)CF)cc1Cl 472144143 MWCKYBUJZKOKPR-UHFFFAOYSA-N 271.763 3.743 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@H](c2ccco2)C1 806003560 KOSZRKGHDUBJGV-HNNXBMFYSA-N 290.407 3.915 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 566050382 NFTXIKDKAARYOP-GXTWGEPZSA-N 298.777 3.750 30 20 CHED CC#CCCCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 294138128 LHOIEDCEZKLAGV-SFHVURJKSA-N 281.399 3.934 30 20 CHED C=C(C)CN(C)C(=O)NC1CCC(CC)(CC)CC1 473864932 OSHRASNCKCPFAL-UHFFFAOYSA-N 266.429 3.953 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1CCO[C@@H](C)C#N 801915213 LATMHDCKTPWSPR-CGTJXYLNSA-N 286.419 3.573 30 20 CHED C#CCCCCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 294212078 PKQZFSYUNBQXGM-SFHVURJKSA-N 281.399 3.934 30 20 CHED N#Cc1cccc(Sc2nc(Cl)c(C#N)s2)c1 804546518 PFVRRQSGWUFMOC-UHFFFAOYSA-N 277.761 3.691 30 20 CHED C=CCC(C)(C)c1noc(COc2ccc3c(c2)CCC3)n1 815707953 XQNLGRXZXZZLQV-UHFFFAOYSA-N 298.386 3.991 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CC23CCCC3)cc1 564218586 HTYHHPXWSBPZKP-HOTGVXAUSA-N 282.387 3.510 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CCC[C@@H]1F)c1ccccc1 565146987 WMAUQEXGJMUMDW-HRCADAONSA-N 275.367 3.743 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ccc(C#N)c(C)n2)cc1 488064724 AYHVSHOTJOAONX-CQSZACIVSA-N 265.360 3.768 30 20 CHED CC(C)(C#N)CCOc1cccc2c1[C@H](O)CC(C)(C)O2 810010074 OBSFIFVJKNVCHW-GFCCVEGCSA-N 289.375 3.600 30 20 CHED CC[C@H]1CCC1=NNc1cc(Cl)nc(Cl)c1 819829047 ZLRSFYDCAMXLCU-ZETCQYMHSA-N 258.152 3.976 30 20 CHED Cc1cccnc1NN=C1CC[C@@H]2CNc3cccc1c32 814911899 WEPHIAANMCKJOV-GFCCVEGCSA-N 278.359 3.509 30 20 CHED C=CC(C)(C)C(=O)N(C)[C@H](C)CSc1ccccc1 650228539 AQFHZESANIMIOZ-CYBMUJFWSA-N 277.433 3.838 30 20 CHED CCCCC[C@@H](CC)C(=O)N(C)CC(C)(C)C#N 817611340 HEWRDDJFXFMHHM-CYBMUJFWSA-N 252.402 3.601 30 20 CHED C/C=C\c1ccc(NC(=O)CNc2cccc(C#N)c2)cc1 489963400 JPVQGTOPFGHXFR-RQOWECAXSA-N 291.354 3.642 30 20 CHED C=C(C)CNC(=O)N(CC)C[C@H](CC)c1ccccc1 488577983 YGXGZUDBDLHEJC-HNNXBMFYSA-N 274.408 3.788 30 20 CHED C=CCC1(NCc2cccc(OC(C)C)c2)CCOCC1 657632934 CXONGTFVCWXLRL-UHFFFAOYSA-N 289.419 3.689 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)c1ccc(F)c(F)c1 488876454 FYIQDQVIKFUULI-DGCLKSJQSA-N 279.330 3.635 30 20 CHED COc1ccc(C=NNc2ccccc2F)c(Cl)c1 812459549 ABJKVVMNINFQCV-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C=CCC(F)(F)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C 816774830 DUKPHENABBKWNK-NFAWXSAZSA-N 293.357 3.991 30 20 CHED C[C@H](C#N)Oc1ccccc1NCC[C@@H]1CC1(Cl)Cl 819076260 WWERZUAWABUGPS-GHMZBOCLSA-N 299.201 3.973 30 20 CHED C=CCOc1ccc(CN[C@@H](COC)C2CCCC2)cc1 571188502 UMJPYXHXDUQXKW-SFHVURJKSA-N 289.419 3.546 30 20 CHED CC#CCCNC(=O)Nc1ccc2oc(C)c(C)c2c1 481665374 CMMUKGPDJVKYIY-UHFFFAOYSA-N 270.332 3.585 30 20 CHED CCC[C@@H](OC(=O)c1ncc(C#N)cc1C)c1ccccc1 815928892 VFIXKZPCXSVESG-MRXNPFEDSA-N 294.354 3.960 30 20 CHED C#CC[C@H](OC(=O)c1ccc2c(c1)CCCCC2=O)C1CC1 810610459 WUDSVOUZYPPWSM-SFHVURJKSA-N 296.366 3.554 30 20 CHED Cc1ccoc1COC(=O)C[C@@H](CC#N)c1ccccc1 816105311 ZYRZYLWIISHHNN-OAHLLOKOSA-N 283.327 3.719 30 20 CHED CCO[C@H](CC)C(=O)Nc1scc(C(C)(C)C)c1C#N 570425258 OGEIJTSRFNQMSR-GFCCVEGCSA-N 294.420 3.671 30 20 CHED Cc1cc(C)nc(NN=C2CCCC23CCCC3)n1 814681694 YDSSQEKETYHGKN-UHFFFAOYSA-N 258.369 3.606 30 20 CHED C#C[C@@H](NC(=O)C(CC)CC)c1ccc(Cl)cc1 811945401 UKOVZGRZPGLTMK-CQSZACIVSA-N 263.768 3.567 30 20 CHED c1ccc(CON=C2CCc3cccnc3CC2)cc1 817323174 TXSHHYBVDQUARJ-UHFFFAOYSA-N 266.344 3.533 30 20 CHED CC(C)C[C@@H](C)OC(=O)c1cc2ccccc2n1CC#N 729894419 WJDBWGSGOGYQHX-CYBMUJFWSA-N 284.359 3.756 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(C)c(OC)c2)no1 572881913 BOYNGHXEVUKYFA-KRWDZBQOSA-N 286.375 3.831 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 488763084 FFEXQGPKRISSFH-HOCLYGCPSA-N 298.386 3.881 30 20 CHED C=CCN(C(C)C)S(=O)(=O)/C=C/c1ccccc1Cl 727450266 YWCGIEQFMGZWDN-PKNBQFBNSA-N 299.823 3.537 30 20 CHED C=CCCN(C)C(=O)NCc1cccc2ccsc12 651184077 ZPIZAIKFORIETI-UHFFFAOYSA-N 274.389 3.619 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1c1cc(C#N)ncn1 572940249 KRUZNQWRJGPPOX-DLBZAZTESA-N 292.386 3.511 30 20 CHED C=CCN(CCc1ccco1)C(=O)Cc1cc(C)ccc1C 490227024 KGQQTZJZPANBEY-UHFFFAOYSA-N 297.398 3.696 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccccc1C(C)(C)C 497435652 GAGBBBJSKPULHU-UHFFFAOYSA-N 272.392 3.606 30 20 CHED CCCCCCCC(=O)Nc1cc(CC(C)C)[nH]n1 728212904 KQFVWBKIOZBOCO-UHFFFAOYSA-N 265.401 3.907 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(F)c2ccccc12 571715915 VVAHMVLMBOKKKG-LBPRGKRZSA-N 291.329 3.841 30 20 CHED C(=NNc1cnc2ccccc2n1)c1c[nH]c2ccccc12 727258697 RMGGNAQNSVLOMV-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C)=C1CCC1 825383831 AYQQDMCXAIAXLO-UHFFFAOYSA-N 273.351 3.841 30 20 CHED C#CC[C@H](OC(=O)/C=C\c1ccccc1F)c1ccccn1 727775375 FXUFEGRZOBJACQ-CPFIRTDXSA-N 295.313 3.542 30 20 CHED C[C@H](Nc1ncc2c(c1C#N)CCC2)c1ccc(Cl)cn1 576578629 DCBJPXCAXWBHQV-JTQLQIEISA-N 298.777 3.663 30 20 CHED C#Cc1ccc(C(=O)O[C@H](C)c2ccccc2Cl)cn1 728938448 ZYNASGFALRSOIX-LLVKDONJSA-N 285.730 3.634 30 20 CHED C=C(CC)CNC(=O)c1cc2c(C)cc(C)nc2s1 662014795 ZFQVCFLDZWUFAH-UHFFFAOYSA-N 274.389 3.609 30 20 CHED C=CCOCC(=O)N(Cc1ccco1)c1ccc(C)c(C)c1 729650364 BWIHRJUPTDFFGJ-UHFFFAOYSA-N 299.370 3.632 30 20 CHED CCCCCC(C)(C)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 823275347 UODUKJJHMYULEC-UONOGXRCSA-N 279.428 3.584 30 20 CHED C#CCOc1cccc(NC(=O)[C@H](CC)CC(F)(F)F)c1 823195544 BURBDUSXYDLXEQ-LLVKDONJSA-N 299.292 3.616 30 20 CHED C=CCCC[C@@H](N)c1nc(C2(CC)CCCC2)no1 904702085 VLJMTMLVGFIIPP-GFCCVEGCSA-N 263.385 3.648 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1ccsc1C#N 905988936 MBTRZOXKSMBGRA-UHFFFAOYSA-N 284.384 3.591 30 20 CHED C=C(CNC(=O)N(CC)[C@@H](C)CC)c1ccccc1 664899427 VJGIGHHCAZGTML-AWEZNQCLSA-N 260.381 3.530 30 20 CHED CCn1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c2ccccc21 839046009 ZOEXLHAMAZBDHN-UONOGXRCSA-N 296.370 3.900 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@@]1(C)CC1(Cl)Cl 838681695 LLMCQHWKIJUYSQ-LBPRGKRZSA-N 293.238 3.568 30 20 CHED N#Cc1ccc(OCCCON=Cc2ccc(F)cc2)cc1 732193371 IXYDLYOYYVFWJX-UHFFFAOYSA-N 298.317 3.517 30 20 CHED C=CCC[C@H](N[C@H](C)c1cc2ccccc2o1)C(=O)O 901692197 JTVUTJYCNNSTAI-YPMHNXCESA-N 273.332 3.503 30 20 CHED C=C(C)CN(C)Cc1cc(F)c(C(F)(F)F)cc1F 672552992 OMXTTWCLVREBMQ-UHFFFAOYSA-N 279.252 3.992 30 20 CHED Cc1ccc(CNN=C2CCC[C@@H](c3ccnn3C)C2)cc1 835008528 KOWUUEASFPKBFJ-MRXNPFEDSA-N 296.418 3.532 30 20 CHED CCOc1ccc(C(=O)/C=C/c2conc2CC)cc1 834404985 OUUZBTOKPPGKOH-JXMROGBWSA-N 271.316 3.532 30 20 CHED C=CCCC(=O)OCc1ccc(OCc2cccnc2)cc1 733479736 YCMGISQAPOCQSG-UHFFFAOYSA-N 297.354 3.670 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@]1(C)CC1(Cl)Cl 836390848 YBPQHQXLUOJPQE-CMPLNLGQSA-N 293.238 3.614 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Cl)cc1C(=O)O 833361848 OTKCSIKMCIGBDG-UHFFFAOYSA-N 293.750 3.560 30 20 CHED Cc1cccc(COC(=O)[C@]2(C#N)CC23CCCC3)c1 837908569 KVYXCUWYQSWTJP-QGZVFWFLSA-N 269.344 3.512 30 20 CHED CC(=NNC(=S)Nc1ccccn1)[C@@H]1CCCC[C@H]1C 834966101 YIIURPMBWFLMQL-DGCLKSJQSA-N 290.436 3.570 30 20 CHED C=CCCCN[C@H](C(=O)O)c1ccc(Cl)cc1Cl 833373784 CQZOPIMSVSOSOW-LBPRGKRZSA-N 288.174 3.675 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC(=S)NN=C1CCCCC1 916352679 UUKHLDGWVMRFFI-MBNYWOFBSA-N 281.469 3.595 30 20 CHED Cc1cc(C)c(C#N)c(N(C)[C@H]2CCc3ccccc3C2)n1 733994467 JFIKNYYAAYDFDI-KRWDZBQOSA-N 291.398 3.564 30 20 CHED C=CC[C@H](NC(=O)O[C@H](C)CC(C)C)c1ccncc1 830536037 ZIOHYRADRXCNMT-HIFRSBDPSA-N 276.380 3.860 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C#N)ccc1Cl 598523819 PBXCNDMZMQDSQH-UHFFFAOYSA-N 276.767 3.686 30 20 CHED O=C(O)c1ccc(C=NNc2c(Cl)cccc2Cl)o1 833312081 IYAAIJREOQOWIM-UHFFFAOYSA-N 299.113 3.731 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C[C@@H](C)CCC=C(C)C 594082937 FSBVMTDKLIODBI-KBPBESRZSA-N 250.386 3.520 30 20 CHED C=C(C)COCCNCc1c(Cl)ccc2cccnc12 679720212 RZWBHKXSUZPYRJ-UHFFFAOYSA-N 290.794 3.571 30 20 CHED CC(C)(CCC#N)CNCc1cccc(OC2CC2)c1F 594957935 SMMQFPOKQAZKFI-UHFFFAOYSA-N 290.382 3.786 30 20 CHED COc1ccc(CNN=C(C)CCCc2cccnc2)cc1 834940651 BQMMMWJQROJGTK-UHFFFAOYSA-N 297.402 3.579 30 20 CHED C[C@@H]1/C(=C/c2cc(C#N)cs2)C(=O)c2c(O)ccc(F)c21 748440145 IMTAYESCSRDHME-SOUAVXJDSA-N 299.326 3.848 30 20 CHED Cc1ccc(C#N)nc1NCc1ccccc1OCC1CC1 596135568 WOJXWSYFQRCQKM-UHFFFAOYSA-N 293.370 3.663 30 20 CHED Clc1ccc(C#CCSc2nnc3ccccn23)cc1 674715441 YPPUERYXBKQQGL-UHFFFAOYSA-N 299.786 3.527 30 20 CHED C[C@@H](OC(=O)Cc1cccc(C2CC2)c1)C(C)(C)C#N 842325590 RGMNRKOKRLPLGC-GFCCVEGCSA-N 271.360 3.588 30 20 CHED CSc1cc(C)c(C(=O)N[C@H](C#N)C2CCCCC2)o1 597342777 RGDWHNKPFPVABA-GFCCVEGCSA-N 292.404 3.512 30 20 CHED CC#CCOC(=O)c1ccc(-c2ccccc2)cc1 744481987 GHQBGLAAQCLDQD-UHFFFAOYSA-N 250.297 3.534 30 20 CHED C#CCN(CC)[C@@H](C)c1ccc(OC(F)(F)F)cc1 746457089 WWVZMHJXHUUWJV-NSHDSACASA-N 271.282 3.601 30 20 CHED CCCOc1ccc(C(C)=NNc2nc(C)cc(C)n2)cc1 916241064 DYMQTOQJQIHNJY-UHFFFAOYSA-N 298.390 3.718 30 20 CHED CCCC[C@@H](C(=O)NCc1ccc(C#N)cc1F)C(C)C 598683498 HZPIZISPJKSVQK-OAHLLOKOSA-N 290.382 3.776 30 20 CHED C=CCCCOC(=O)[C@H](C)CC(=O)c1ccccc1F 745485006 CZLILDGQIYZZEA-GFCCVEGCSA-N 278.323 3.544 30 20 CHED CC1(C)C[C@@]1(C(=O)N1CCC(CC#N)CC1)c1ccccc1 597498214 RLAPFMIGXPDVNA-IBGZPJMESA-N 296.414 3.507 30 20 CHED CCOc1ccc(CN(C)[C@H](C#N)c2ccccc2)cc1 595291311 JSRIZBJHBZQTKX-GOSISDBHSA-N 280.371 3.782 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)n(C)n1 841487387 NCLZFAVNPKSNPB-KHPPLWFESA-N 282.387 3.922 30 20 CHED C#C[C@@H](OC(=O)[C@@H]1CC12CCCC2)c1ccc(F)cc1 842411627 LOSWRENWLLOMMQ-LSDHHAIUSA-N 272.319 3.624 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)C 916046977 DSNAERKJDUTNHJ-NEPJUHHUSA-N 277.330 3.778 30 20 CHED C#CCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 840311882 QARGTXBEBMVAQR-MSOLQXFVSA-N 298.430 3.768 30 20 CHED CCOc1ccc(CN2CCC[C@H](CC#N)C2)c(C)c1 597177874 ROAQEHFHZKPHKW-OAHLLOKOSA-N 272.392 3.519 30 20 CHED CCCCCCCCC(=O)N(C)c1ccc(OC)nc1 746517591 RYHHRVYSYNOJIO-UHFFFAOYSA-N 278.396 3.804 30 20 CHED CC(C)O[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 593053922 OIXFSZSBHQGRMJ-WMLDXEAASA-N 272.392 3.509 30 20 CHED Oc1c(Br)cccc1C=NNc1ccccc1 915933261 PSERJGQRAGPAAQ-UHFFFAOYSA-N 291.148 3.601 30 20 CHED CCCc1nc(C(=O)OCCC2(C#N)CCCCC2)co1 840525604 AKZUERUZCHYELI-UHFFFAOYSA-N 290.363 3.648 30 20 CHED C=CCCn1cc(/C=C\C(=O)c2ccc(CCC)cc2)nn1 849243020 OXURHDPHWOACFH-QXMHVHEDSA-N 295.386 3.703 30 20 CHED C[C@H](C(=O)N1CCC(CC#N)CC1)c1ccc(Cl)cc1 593594354 RAQHDRZFUBYXBE-LBPRGKRZSA-N 290.794 3.596 30 20 CHED C#C[C@H](NC(=O)[C@H]1C[C@@H]1c1sccc1C)c1ccccc1 843643145 PXRJGBHMRHRWER-JYJNAYRXSA-N 295.407 3.651 30 20 CHED CCCCCCCCCN(C)C(=O)NC[C@@H]1CCCO1 918318725 UBAQULZHYGZWDG-HNNXBMFYSA-N 284.444 3.557 30 20 CHED CCc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)s1 849243731 NONWXVAKWVKRLD-BQYQJAHWSA-N 286.400 3.818 30 20 CHED Cc1ccc2ncc(CON=C3CCCOCC3)cc2c1 842039229 LVOJWZNCONPLSK-UHFFFAOYSA-N 284.359 3.616 30 20 CHED N#CCOc1cccc(OC[C@H]2CCCCC2(F)F)c1 842111014 VLZGUYNVCUJDHT-GFCCVEGCSA-N 281.302 3.793 30 20 CHED CC(C)CCC(=NN(C)C[C@H](C)O)c1ccc(Cl)cc1 841651206 KRSXUQHWCLHJII-ZDUSSCGKSA-N 296.842 3.793 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2C[C@H]2C2CCC2)n1 845480619 JHMBPNNXWVZHOC-XQQFMLRXSA-N 288.416 3.879 30 20 CHED Cc1c(CON=Cc2cccc(F)c2)cccc1[N+](=O)[O-] 917395422 OECYXKPXTUAVAJ-UHFFFAOYSA-N 288.278 3.593 30 20 CHED C=C(C)CCOC(=O)[C@H](C)SCc1ccccc1 744303484 DFBJKHRJLLGXBZ-ZDUSSCGKSA-N 264.390 3.818 30 20 CHED CC(C)c1ccc(CCC(=O)N2CCC[C@H](CC#N)C2)cc1 597912175 BRAOQOOCBWZHJZ-QGZVFWFLSA-N 298.430 3.895 30 20 CHED Cc1cc(C#N)ccc1N1CCO[C@@H](c2cccc(F)c2)C1 846747242 FFFLVRKLEXJBNO-GOSISDBHSA-N 296.345 3.584 30 20 CHED C=C1CCN(C(=O)[C@H](C)c2ccc(CC)cc2)CC1 594846481 SVWXRYYQSCSQPG-CQSZACIVSA-N 257.377 3.531 30 20 CHED C=CCSCCNC(=S)Nc1c(C)cccc1C 745019066 KBMUBFRUTLORRL-UHFFFAOYSA-N 280.462 3.509 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 929764954 ZWMQTYWCFDADNZ-KBPBESRZSA-N 275.392 3.817 30 20 CHED CC[C@@H](NC(=S)NCC(C)(C)CC#N)c1cccs1 840845412 OVDCIVJOMHQYTD-LLVKDONJSA-N 295.477 3.603 30 20 CHED COc1ccc2c(c1)OCC2=NNc1cccc(Cl)c1 749158602 QMSPZLQHIFZJEX-UHFFFAOYSA-N 288.734 3.557 30 20 CHED C=CC(C)(C)C(=O)OCCc1ccc2ccccc2n1 845660162 SXHAHNACEKCWBP-UHFFFAOYSA-N 269.344 3.533 30 20 CHED C=C(C)CNC(=O)[C@@H](C)c1ccccc1C(F)(F)F 681674185 DNYBOFCIBYVFRZ-JTQLQIEISA-N 271.282 3.501 30 20 CHED Cc1cccc(NN=C2CCc3c(F)cccc32)c1 921252445 DUOVFJBCVRAETG-UHFFFAOYSA-N 254.308 3.897 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc2c(c1)CCCO2 853010418 BKWOYIOVNLNAEK-VOTSOKGWSA-N 296.370 3.514 30 20 CHED Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCCC(C)(C)C)nc12 750721464 CROTXIQFCCLTJQ-GFCCVEGCSA-N 298.390 3.659 30 20 CHED CCC(C[C@@H](C)CC)=Nn1cc(Br)cn1 752748464 WVVCHADBRPVRIV-VIFPVBQESA-N 272.190 3.696 30 20 CHED FC(F)CON=C1CCCc2c(Cl)cccc21 758902662 GHUNCTUNCNUEMV-UHFFFAOYSA-N 259.683 3.662 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)co1 752884318 FOSNQGFZHZEWTA-VOTSOKGWSA-N 286.287 3.602 30 20 CHED Fc1cccnc1NN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853343537 IVLFOUHNYCUGSD-NXEZZACHSA-N 289.276 3.987 30 20 CHED COc1ccc(NN=C(C)c2cccc(F)c2)cc1 750925599 QYVCNHBNLRRHJP-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@H](O)c1c(F)cccc1Cl 756731080 DCDVWWPCHGYOJY-RWSFTLGLSA-N 285.790 3.845 30 20 CHED CC/C(=C/C(=O)N1CCC[C@@H](C#N)C1)c1ccc(C)cc1 928220994 LKIFJTKCDHLXMJ-CNYBTUBUSA-N 282.387 3.551 30 20 CHED CCOc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1O 921263246 ALTBBWULITXFDL-XYOKQWHBSA-N 298.313 3.752 30 20 CHED CCC(Cc1cccs1)=NO[C@@H]1CCCCO1 755822577 VYKBEANZIQSKKU-CYBMUJFWSA-N 253.367 3.600 30 20 CHED CC(C)[C@H]1CC(=NNc2ccc(Cl)cn2)CS1 853435171 MOLSFKBRCJCPRR-LLVKDONJSA-N 269.801 3.664 30 20 CHED C[C@@H](Cc1ccccc1)OC(=O)/C=C\c1ccccc1C#N 750410960 KNDJXUBJQFBMHN-SSCKCOOKSA-N 291.350 3.746 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 755486339 MNDDIRXAVLRJIT-OWCLPIDISA-N 281.440 3.811 30 20 CHED C#CCN(C(=O)c1coc2ccc(Cl)cc12)C(C)C 928624070 VSHWOQVZIBURCS-UHFFFAOYSA-N 275.735 3.570 30 20 CHED CCO[C@H](CN[C@@H](C)CC(C)(C)C#N)c1ccccc1 926299739 QDMDLLWIHBCIMW-GOEBONIOSA-N 274.408 3.682 30 20 CHED CCC(=NNc1cncc(Cl)n1)C1CCCCC1 750937253 INKHJXXVZBZOPU-UHFFFAOYSA-N 266.776 3.888 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1ccc(CC#N)cc1 854271480 IIQAKWGNPQCMFQ-OAHLLOKOSA-N 262.328 3.610 30 20 CHED Cc1cccc(C2(C(=O)O[C@H](C)CC(C)(C)C#N)CC2)c1 851209596 HOUPIDXYOMQKKC-CQSZACIVSA-N 285.387 3.898 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1cccc2cccnc12 924623622 RCROKSIDCNADLU-CQSZACIVSA-N 281.403 3.695 30 20 CHED C[C@H]1CC(=NNc2nc3ccc(Cl)cc3s2)CO1 853438626 IGIIYSGADNGCRE-ZETCQYMHSA-N 281.768 3.526 30 20 CHED N#Cc1ccc([C@H](O)COc2cccc3c2CCCC3)cc1 755322690 USNYEMATMJAKLV-GOSISDBHSA-N 293.366 3.549 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@H]1CCC(=O)[C@H](C)C1 851141861 DUUZYPMGKXPYNV-NYTXWWLZSA-N 278.392 3.670 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCC(=O)c1cccs1 851214778 WSQLMMSJILPKTP-LLVKDONJSA-N 293.388 3.583 30 20 CHED C#CCCCCCC(=O)NCc1ccc(NCCC)cc1 765925342 BOGGPWQDWFPKOA-UHFFFAOYSA-N 286.419 3.708 30 20 CHED Cc1cc(C(=O)OCCCCC(C)(C)C#N)c(C)o1 768359825 FZQGFTNVQVZEJF-UHFFFAOYSA-N 263.337 3.773 30 20 CHED Cc1ccc(C=NOCC(F)(F)F)cc1Cl 766453774 RWUASZIKNOFQOH-UHFFFAOYSA-N 251.635 3.561 30 20 CHED Cc1c(C(=O)/C=C/c2cncs2)cnn1-c1ccccc1 767721734 NRCXVOZEQMHJSZ-BQYQJAHWSA-N 295.367 3.533 30 20 CHED C#CCCCC(=O)N(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 760239370 YHUMUUNGGJEDPQ-HRCADAONSA-N 273.420 3.607 30 20 CHED CCC(=NNc1ccc(F)cn1)c1ccc2c(c1)CCCO2 765576591 NAJPXDUSRZTKLX-UHFFFAOYSA-N 299.349 3.772 30 20 CHED Cc1ncsc1/C=C\C(=O)OCCCCC(C)(C)C#N 768877942 OFTUXADBQIBNDS-SREVYHEPSA-N 292.404 3.728 30 20 CHED N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccco1)c1nc(C2CC2)cs1 860844263 HEIIITJLJGKUDY-UTUOFQBUSA-N 298.367 3.593 30 20 CHED c1ccc2c(c1)CCC(=NNc1ncnc3ccsc13)C2 764834415 FTXOKRYJVKMWRJ-UHFFFAOYSA-N 294.383 3.648 30 20 CHED C#CC[C@H](Nc1ccc(C(F)(F)F)nn1)c1ccccc1 767289710 NYHXFJRWAWHNSN-LBPRGKRZSA-N 291.276 3.672 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@]2(C)CCCS2)cc1 766586721 VGDUCQQGQLZWGP-PBHICJAKSA-N 289.444 3.635 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(C3CC3)c2)cc1 1352715074 RLNZEEMGWRKWJR-UHFFFAOYSA-N 262.312 3.688 30 20 CHED C=CCOCC(=O)OCc1ccc(-c2cccs2)cc1 768698139 LCQDFNWGPJPXSD-UHFFFAOYSA-N 288.368 3.661 30 20 CHED Cc1cc(COC(=O)C2(C#N)CC(C)C2)c2ccccc2n1 767423331 BXSSEWCJKYQYHG-UHFFFAOYSA-N 294.354 3.526 30 20 CHED C#C[C@H](C)N(C)CCCc1ccc(C(F)(F)F)cc1 769963513 VGPVCEXBDCBEAZ-LBPRGKRZSA-N 269.310 3.592 30 20 CHED Cc1cc(OC(=O)c2cccc3cccnc23)ccc1C#N 765112279 BWRAVMJPVZVLON-UHFFFAOYSA-N 288.306 3.634 30 20 CHED N#Cc1cn(CCCC2CC2)c2ccc(Cl)cc2c1=O 865356312 YTGZBOGMHIRBDP-UHFFFAOYSA-N 286.762 3.717 30 20 CHED C=CCOc1ccc(COC(=O)[C@@H]2CC=CCC2)cc1 763641368 WYQXCLDKHHOAGW-OAHLLOKOSA-N 272.344 3.651 30 20 CHED Cc1cc(OC(=O)C2(c3cccc(F)c3)CC2)ccc1C#N 765114190 TZYROWCGDKKAFQ-UHFFFAOYSA-N 295.313 3.643 30 20 CHED C=CCCC[C@@H](C)Nc1nccc2c1C(=O)OC2(C)C 775713339 IJHFWTWWUBVKFA-LLVKDONJSA-N 274.364 3.644 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Cc1ccccc1CC#N 776979604 AYAUNSKADYCDLF-RHSMWYFYSA-N 298.430 3.626 30 20 CHED C=CCCCCNC(=O)/C=C/c1nc2ccccc2s1 770080920 ABMXQQQQAMRNMH-ZHACJKMWSA-N 286.400 3.782 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cc(F)c(F)c(F)c1 777905957 DAHHAYKBHRLWOH-UHFFFAOYSA-N 299.683 3.988 30 20 CHED CCCCCCCCN[C@@H]1CCN(CC)C[C@H]1C 772948029 DHVCHRFBBCZGDN-HZPDHXFCSA-N 254.462 3.667 30 20 CHED N#Cc1ccc(NN=Cc2cscc2Cl)cc1 771877230 LZVZBTLMNFUGSN-UHFFFAOYSA-N 261.737 3.719 30 20 CHED C#C[C@@H](NCc1cc(-c2ccccc2)cs1)[C@H]1CCCO1 775340766 IFZGPRHVONLKDM-QZTJIDSGSA-N 297.423 3.686 30 20 CHED C=CC(C)(C)CC(=O)N1Cc2cccc(Cl)c2C1 880001224 OFWXPPIRZTUEOY-UHFFFAOYSA-N 263.768 3.785 30 20 CHED C=CC(C)(C)CC(=O)N[C@](C)(C#N)C1CCCCC1 889656571 DWOBYSMZZRQYPR-MRXNPFEDSA-N 262.397 3.567 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cc(C)ccc1O 777907164 TZDIISYAQXHEKM-UHFFFAOYSA-N 275.739 3.585 30 20 CHED CC(C)Oc1ccc(NC[C@H]2CC2(Cl)Cl)cc1C#N 771890638 UIHPTSLHLJZJNA-LLVKDONJSA-N 299.201 3.951 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1F)c1ccccc1OC 775073893 BFESVARBKMUSAJ-MRXNPFEDSA-N 298.361 3.947 30 20 CHED C=CCN(CCc1ccccc1)Cc1cc(OC)ccc1O 775660753 HUPYPSLFXKGARL-UHFFFAOYSA-N 297.398 3.632 30 20 CHED Cc1ccc(C(=O)NCCC2CCCCC2)cc1C#N 1124931617 IQTHZVCOUGOYOR-UHFFFAOYSA-N 270.376 3.567 30 20 CHED CC(C)(C#N)CCCOC(=O)c1c[nH]c2ccc(F)cc12 784182446 ORJWITUXXYMUNP-UHFFFAOYSA-N 288.322 3.794 30 20 CHED C#CC[C@@H](NCc1ncc(CC)s1)c1ccccc1 784586916 BBRWWTZLJSWEDJ-OAHLLOKOSA-N 270.401 3.560 30 20 CHED C#CCCCCC(=O)OCc1ccc(Cl)c(F)c1 785684759 JIFKLXMFRJKZFI-UHFFFAOYSA-N 268.715 3.716 30 20 CHED C#CCC1(C(=O)NCC2(c3ccccc3)CC2)CCCCC1 788152683 WZANTECUCYUHRU-UHFFFAOYSA-N 295.426 3.808 30 20 CHED CC(C)(C)c1ccc(C(=O)N(CC#N)c2ccccn2)s1 892469576 KBRKLENZUXQSKW-UHFFFAOYSA-N 299.399 3.611 30 20 CHED C=CCCOC(=O)c1cn(C)nc1-c1ccc(Cl)s1 789289044 IYSHQBAYMPQNRX-UHFFFAOYSA-N 296.779 3.535 30 20 CHED C/C=C(\CC)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 789369906 YCRWSZHEHWWWCY-BWLWAFFFSA-N 288.347 3.968 30 20 CHED N#CCc1ccc(COC(=O)c2c[nH]c3ccccc23)cc1 785137516 BJROSUYFNQYEAE-UHFFFAOYSA-N 290.322 3.591 30 20 CHED C#CCC1(C(=O)Nc2nc3c(s2)CCC3)CCCCC1 788428593 RPJBQHAECUTYPV-UHFFFAOYSA-N 288.416 3.544 30 20 CHED C=C1CCC(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)CC1 892702096 BKSHLMVGBZLUSF-CQSZACIVSA-N 293.370 3.794 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](C#N)CCc1ccccc1 1137854958 KBIBZRKCPOPBQZ-USXIJHARSA-N 284.403 3.548 30 20 CHED Cc1noc(C2CCC(=NOCc3ccccc3)CC2)n1 797402449 ZNKORIPLAFLADM-UHFFFAOYSA-N 285.347 3.608 30 20 CHED CC(=NNc1ncccc1C)[C@H](C)c1ccccc1 790185694 KTBPIIBVSDNIEW-ZDUSSCGKSA-N 253.349 3.982 30 20 CHED N#CC[C@@H]1CCCN(Cc2sccc2Cl)C1 397606807 HJGLYWRICANSPG-JTQLQIEISA-N 254.786 3.527 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(Cl)cc2C#N)CS1 397832309 DAFLRGUGHPUJNF-KCJUWKMLSA-N 252.770 3.518 30 20 CHED CCC(CC)CN(CC)C(=O)c1ccc(C)c(C#N)c1 799310180 SYDRUBSMCLSJCB-UHFFFAOYSA-N 272.392 3.765 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2-c2ccccc2C)o1 794939859 UVPIIWUJMKJPMS-CMDGGOBGSA-N 292.338 3.978 30 20 CHED C#Cc1cccc(N(CC)C(=O)C2CCCCCC2)c1 728480538 WTMKBCPKLUSABX-UHFFFAOYSA-N 269.388 3.991 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)C(C)C 798553363 YGRXKAZXLUEDAQ-QZTJIDSGSA-N 298.430 3.624 30 20 CHED CC(C[C@H](C)NC(=O)OC(C)(C)C)=NN[C@H](C)C(C)(C)C 793114318 FTJQWBATQLASDA-WCQYABFASA-N 299.459 3.690 30 20 CHED C[C@H](NN=C1CCC[C@@H]1c1ccccn1)C(C)(C)C 793115820 PFXCETIQOHUBRX-QWHCGFSZSA-N 259.397 3.729 30 20 CHED Cc1cccc(COC(=O)c2ccc(C(C)(C)C#N)cc2)n1 796037535 RXMQLTXGBZDERG-UHFFFAOYSA-N 294.354 3.548 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1ccc(C)c(C#N)c1 799317357 HXFDGPDMEXLFNA-UHFFFAOYSA-N 294.354 3.826 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2cccc(Cl)n2)o1 793175380 SVUVHNCLSNLXGK-GXSJLCMTSA-N 275.739 3.897 30 20 CHED C[C@@H](Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CC1 799347394 WDZWAQFWQGEYBL-MRVPVSSYSA-N 270.254 3.667 30 20 CHED Cc1cc(CN(C)CCOc2ccccc2C)ccc1C#N 1205115285 NGOVYBGXWOGDSH-UHFFFAOYSA-N 294.398 3.686 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C(\C)c1ccc(F)cc1 798550958 JOGRVKJCBIFGLO-AYJWMTRPSA-N 261.340 3.700 30 20 CHED COC(=O)c1csc(C(=O)/C=C/c2cccc(C)c2)c1 794724725 UJGSDOMDTYKEFR-VOTSOKGWSA-N 286.352 3.739 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C(F)F)cc2)cnn1C 794944936 IZWFMNZEHMWLQK-YVMONPNESA-N 276.286 3.562 30 20 CHED N#Cc1ccc(N[C@H]2CCCOCC2)c(C(F)(F)F)c1 86871160 NAOZCDZYHZUUKF-NSHDSACASA-N 284.281 3.558 30 20 CHED CC(C)c1ccccc1CNCc1ccc(C#N)cc1 782539228 IANOQYBENMIOHG-UHFFFAOYSA-N 264.372 3.971 30 20 CHED C[C@H](Nc1ccccc1NC(=O)CC#N)c1ccccc1 1157713811 XCRFHEQXOAFKLX-ZDUSSCGKSA-N 279.343 3.712 30 20 CHED CC1(C)CCC[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)C1 1154470933 MPWJFBVDVWOFRE-IRXDYDNUSA-N 298.430 3.844 30 20 CHED CCC(C)(C)C1CCC(N=c2cc[nH]c(C#N)c2)CC1 1162095428 QVUCBFVQZXXUJF-UHFFFAOYSA-N 271.408 3.782 30 20 CHED CC[C@H](C)c1nnc(C[C@H](CC#N)c2ccccc2)o1 1329096327 UQGQEDGMGJOSGI-JSGCOSHPSA-N 269.348 3.823 30 20 CHED CCN(CC)c1ccc(/C=C\c2cc(C#N)ccn2)cc1 1327207116 YWIUTUVOKRJPGK-YVMONPNESA-N 277.371 3.970 30 20 CHED CCC1(c2nnc(-c3cccc(C#N)c3)o2)CCCC1 1322585694 QNCWPIOZHVZLQX-UHFFFAOYSA-N 267.332 3.830 30 20 CHED Cc1cc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1C#N 1656064224 URQKPOWNJCMENJ-PBFPGSCMSA-N 256.393 3.781 30 20 CHED C=CCC1(NC(=O)Cc2c(C)noc2Cl)CCCCC1 1328168469 ZVMDAPBTZKCNMS-UHFFFAOYSA-N 296.798 3.574 30 20 CHED COc1ccc(C(C)(C)CNc2cc(C)c(C#N)cn2)cc1 1185080767 DWMCQPCVEQTKQI-UHFFFAOYSA-N 295.386 3.660 30 20 CHED N#Cc1ccnc(/C=C\c2ccc(Br)s2)c1 1256730411 QSSQPBLUAJJBGD-UPHRSURJSA-N 291.173 3.948 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@@H](C)c1ccco1 1337552242 VABIVXFQWSFVLB-KGLIPLIRSA-N 261.365 3.730 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C)nc(Cl)c1 1336219846 XJUGYCSTWYNYOW-CYBMUJFWSA-N 278.783 3.614 30 20 CHED COc1ccc([C@H](C)SCc2cc(C#N)ccn2)cc1 1188683755 IRKUMFKIFYZREC-LBPRGKRZSA-N 284.384 3.956 30 20 CHED Cc1c(C#N)cccc1C(=O)OC[C@H]1CCC2(CCCC2)O1 1344668051 DUUSDZNSKIWWOM-OAHLLOKOSA-N 299.370 3.515 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H]1CCC[C@H](C)[C@@H]1C 1267053142 PNQIAMIGAXRJKR-SLEUVZQESA-N 287.359 3.548 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)c1nccs1)c1cccs1 1343903346 ZWERMATXXSPVAZ-GXSJLCMTSA-N 292.385 3.652 30 20 CHED C[C@H]1CCC[C@@H](OC(=O)CC2(C#N)CCCCC2)C1 1351279871 YCJKBGBNPBUQOZ-UONOGXRCSA-N 263.381 3.972 30 20 CHED CC[C@H](F)C(=O)Nc1sc2c(c1C#N)CCCCC2 1354316537 STKDCAMCKSDXCF-NSHDSACASA-N 280.368 3.575 30 20 CHED C=CCC(C)(C)C(=O)Nc1cncc(C(F)(F)F)c1 1518840220 JGLVKJGJYIMZCP-UHFFFAOYSA-N 272.270 3.641 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@H](OC2CCC2)C1)c1ccccc1 1528592375 FJRQVQHDBSYVCQ-ZWKOTPCHSA-N 299.414 3.516 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)c(C#N)c2)c1 1529690707 MQJVYFXYIJHTNI-JKSUJKDBSA-N 294.329 3.748 30 20 CHED N#Cc1cc(NC(=O)c2cc3ccncc3s2)ccc1F 1529690280 HXJXXVWFUISUKP-UHFFFAOYSA-N 297.314 3.559 30 20 CHED N#CC1CCC(CSc2ccc(C(=O)O)cc2)CC1 1608177781 AHUUJCGJXZHVBN-UHFFFAOYSA-N 275.373 3.807 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 1536303303 AXLZPDMEZHKVOZ-WCQYABFASA-N 290.794 3.768 30 20 CHED CCCc1ccc(C(=O)Nc2ccc(F)cc2C#N)s1 1534033647 UPXQKATYUFQSSW-UHFFFAOYSA-N 288.347 3.964 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)C(=O)c1csc(C#N)c1 1531717503 LYTNGLKAAWBEQG-SNVBAGLBSA-N 288.347 3.592 30 20 CHED CCC(CC)(CNC(=O)c1cc(C#N)ccc1C)SC 1531293300 VZXVDPGYKOMPFR-UHFFFAOYSA-N 290.432 3.518 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](CC#N)c1ccccc1 1540015830 JFMLRLUYQQZNPJ-MRXNPFEDSA-N 289.338 3.503 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(Oc2ccccc2)n1 1540124547 BFNAGFKAECQCOL-KRWDZBQOSA-N 295.342 3.752 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCC(C)(C)C[C@@H]2C)n1 1472717391 SXRCNEIZWVRHHN-WCQYABFASA-N 272.396 3.537 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1Cc1ccc(C#N)c(OC)c1 1621164203 UAJMRSLPZSJALS-PBHICJAKSA-N 286.419 3.967 30 20 CHED CCc1ccccc1NCc1cc(C#N)ccc1F 20053916 OSZZSBBZCWKTDB-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C[C@H]1C[C@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 1559069136 BRCHFCRXTYDVQG-STQMWFEESA-N 294.402 3.552 30 20 CHED Cc1cccc2nc(N(C)Cc3cccc(C#N)c3)oc12 1559064996 GYAKLZAEUWGKCT-UHFFFAOYSA-N 277.327 3.644 30 20 CHED CC[C@H](C)Oc1cc(Oc2ccc(C#N)cc2)nc(C)n1 1639213766 QOFWNWXTTRMECU-NSHDSACASA-N 283.331 3.626 30 20 CHED C=C(C)CNCc1csc(-c2cccs2)n1 119651796 XNVZRPQPJHHFLX-UHFFFAOYSA-N 250.392 3.537 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCCC2(C)C)c1 1562939861 YJYWDEWNDHRTEV-AWEZNQCLSA-N 285.391 3.815 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1ccc(F)c(C#N)c1 229592701 DUWSVZNZHYWRET-BBRMVZONSA-N 260.356 3.756 30 20 CHED N#Cc1cccc(OC2CCN(CCCC3CC3)CC2)c1 1641733997 CIGXTJIPRNQLAH-UHFFFAOYSA-N 284.403 3.592 30 20 CHED N#Cc1ccc(CCN[C@@H](c2ccccc2)C(F)F)cc1 1653679292 YNKGORSVXDBKJI-INIZCTEOSA-N 286.325 3.697 30 20 CHED CC(C)N(C)c1ccc(CNc2cc(F)cc(C#N)c2)cn1 1658433828 OIEWYQODWAFHGG-UHFFFAOYSA-N 298.365 3.549 30 20 CHED Cc1ccc([C@H](C)CNc2cc(C)c(C#N)cn2)cc1 1650769406 MUTDMMNCTJBTBX-CQSZACIVSA-N 265.360 3.786 30 20 CHED Cc1ccc(C=NNc2ccc(C(=O)O)c(F)c2)cc1C 1776073949 YAWAWOYLCXYJMR-UHFFFAOYSA-N 286.306 3.587 30 20 CHED C=CCCC[C@@H](NCc1ccccc1C(F)F)C(=O)O 1776207335 SCGFKSVUPQCRPD-CYBMUJFWSA-N 283.318 3.523 30 20 CHED Cc1c(NN=C2CC(C)(C)C[C@H]2C)cccc1C(=O)O 1776087936 GCDRMHDDFYYZOW-SNVBAGLBSA-N 274.364 3.917 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CCC[C@@H](C)CC1 1776050783 CHVLOQCFNAQAJH-LLVKDONJSA-N 290.363 3.762 30 20 CHED C=CCN(CC1CCCCC1)[C@H]1CC[C@@H](CC(=O)O)C1 1776177528 WPKMOHNAFJZUOF-CVEARBPZSA-N 279.424 3.698 30 20 CHED CC1(C)CCC/C(=C\c2cc(F)c(C(=O)O)c(F)c2)C1=O 1776550936 OEPPYQHSYKPESI-UXBLZVDNSA-N 294.297 3.826 30 20 CHED C=CCCCCCN(C)Cc1noc(C(C)(C)C)n1 150881869 QPKFJZBASCIIHC-UHFFFAOYSA-N 265.401 3.545 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H](CC)c1ccc(F)cc1F 161365957 KNHFRGICUAQATK-QMTHXVAHSA-N 299.386 3.840 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)c2cccnc2)cc1 158506279 OJLFZVDMAJXCME-GJZGRUSLSA-N 280.371 3.505 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCCCCCC2)cc1 158959635 GKCQZQDEGLALNQ-OAHLLOKOSA-N 272.392 3.744 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2)cc1 201075123 NRQIKPMRZIPWHB-IZZDOVSWSA-N 266.296 3.589 30 20 CHED C#CCCCCNC(=O)N1CCC[C@](C)(c2ccccc2)C1 155043092 KLHWSGVHDOSSDL-IBGZPJMESA-N 298.430 3.553 30 20 CHED CC(C)(C)SCCCC(=O)N[C@H](C#N)C1CCCCC1 157517086 JIPIHRVERJTPJD-CQSZACIVSA-N 296.480 3.887 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)[nH]1 159702783 XIWDHDRJEGTFTH-OAHLLOKOSA-N 299.761 3.517 30 20 CHED CCCCCOc1c(Cl)cc(C#N)cc1OC 11961830 GSYWXVTZZLBOPX-UHFFFAOYSA-N 253.729 3.789 30 20 CHED C=C(CC)CN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 834904034 USZNWFBQXARPGK-GJZGRUSLSA-N 296.455 3.578 30 20 CHED C=CCN(C(=O)c1cc(Cl)cc(Cl)n1)C(C)(C)C 857650759 HEVOIQNPRYQIPF-UHFFFAOYSA-N 287.190 3.815 30 20 CHED CC(C)[C@H]1CCC[C@H](Nc2ccc(C#N)cn2)CC1 1163112689 KJROPDNTLFARIC-GJZGRUSLSA-N 257.381 3.970 30 20 CHED Cc1cc([C@H]2CCCN2c2ccc(C#N)cc2C)no1 891701611 CIWHTEDDYHWFQM-MRXNPFEDSA-N 267.332 3.505 30 20 CHED N#Cc1ccc(CNc2cccc(OC(F)F)c2)cc1 37006197 BRZYJEYGNZOOHF-UHFFFAOYSA-N 274.270 3.772 30 20 CHED Cc1cc(C)cc(C(=O)Nc2cccc(CC#N)c2)c1 313440784 HTNBVSGNEJUZEM-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CC(C)CC1(C(=O)NCC(C)(C)CC#N)CCCC1 315488480 WSZULJRJDOZDIC-UHFFFAOYSA-N 264.413 3.649 30 20 CHED N#Cc1cc(NCCOc2ccccc2)ccc1Cl 531148206 JRLZKOSAWQOCPG-UHFFFAOYSA-N 272.735 3.703 30 20 CHED CC(C)(C#N)CCNc1ccc(C#N)c(C(F)(F)F)c1 88191612 RYZXQRGTYPAEPX-UHFFFAOYSA-N 281.281 3.929 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)c1ccccn1 355071318 QHCGFLOPNQSQMD-OAHLLOKOSA-N 252.361 3.831 30 20 CHED CCCCCCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] 703780207 NCMMEGUZNSDNHP-UHFFFAOYSA-N 298.770 3.948 30 20 CHED CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccccc1C#N 380116933 QASLCMRSTVSDSJ-ZDUSSCGKSA-N 282.309 3.721 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 384908458 CRRPOBFILPFTTJ-GFCCVEGCSA-N 262.353 3.766 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(Br)cc2)C1 397668393 PQKIXJQNJRIJQJ-GFCCVEGCSA-N 293.208 3.575 30 20 CHED COc1cccc(/C=C2\CCc3ccccc3C2=O)c1OC 1768026 ZOFLFTGJLVVSTA-WYMLVPIESA-N 294.350 3.916 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 115972633 UHBUCGNGZXNRGT-STQMWFEESA-N 298.292 3.579 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cn1 111998759 VEUUJELEGDDVFV-FPYGCLRLSA-N 294.276 3.818 30 20 CHED CCO[C@@H]1C[C@@H](/N=C/c2ccccc2O)C1(CC)CC 178705059 CLLMFRMPKCFFSW-SUBKYJBBSA-N 275.392 3.795 30 20 CHED CCn1nccc1/C=C1\C[C@H](C)c2ccccc2C1=O 178879916 SNRQDGNPBILALN-OWRWYXLESA-N 266.344 3.677 30 20 CHED CS[C@@H](C(=O)Oc1ccc(C#N)cc1)c1ccccc1 172353520 NIKSSSYGFCSTTE-OAHLLOKOSA-N 283.352 3.568 30 20 CHED C=CC1CCN(C(=O)Nc2cccc3cccnc23)CC1 111419371 AZCWBMAXCCUPII-UHFFFAOYSA-N 281.359 3.665 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(C#N)cc1 20126464 ZMOQRXUQCWTVHE-CYBMUJFWSA-N 277.327 3.634 30 20 CHED CCOc1cc(Cl)ccc1CNc1ccc(C#N)cn1 301788317 XQPSUMMRCTWQPP-UHFFFAOYSA-N 287.750 3.617 30 20 CHED N#Cc1cc(Sc2ccc(Br)cc2)ccn1 61815523 AXRGJIODIKABKD-UHFFFAOYSA-N 291.173 3.867 30 20 CHED Cc1nn(C)c(Cl)c1CSCCCC(C)(C)C#N 161766078 IGJOUMLEAGNRDV-UHFFFAOYSA-N 285.844 3.945 30 20 CHED C=CCOCCN[C@H](C)c1ccc(Cl)c(Cl)c1 301761262 GSHJKRGWESKFFR-SNVBAGLBSA-N 274.191 3.847 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@@H]2c2ccccc2)nc1 110603789 FCCQRXSHKUFTOG-CVEARBPZSA-N 263.344 3.701 30 20 CHED C=C[C@H](CC(=O)Nc1cc(C#N)ccc1O)c1ccccc1 179733434 LVPDUANUVOYUQI-CQSZACIVSA-N 292.338 3.562 30 20 CHED CSc1ccccc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 179105715 VBUPRDLPLRADNA-BLLLJJGKSA-N 288.416 3.611 30 20 CHED CCC[C@@H]1CCCN(c2snc(Cl)c2C#N)C1 301620009 MEWHYAPLPKPKHL-SECBINFHSA-N 269.801 3.685 30 20 CHED COc1ccc([C@@H](C)Nc2nc(Cl)c(C#N)s2)cc1 234974500 XOAYFZJPRNEZKY-MRVPVSSYSA-N 293.779 3.850 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccccc2Cl)CC1 177313473 ZJZQRWNDSGGEEL-CYBMUJFWSA-N 278.827 3.641 30 20 CHED C=C(C)CN(CCc1ccncc1)Cc1ccccc1 352342692 XBKLHWTYGGSHMB-UHFFFAOYSA-N 266.388 3.702 30 20 CHED Cc1ccccc1NC(=O)Nc1ccc(F)cc1C#N 119809645 BNMWHVZBCJUYFX-UHFFFAOYSA-N 269.279 3.650 30 20 CHED C[C@@H](c1ccco1)N(CC#Cc1ccc(F)cc1)C1CC1 127752463 KOITVQQAYDBUSB-AWEZNQCLSA-N 283.346 3.996 30 20 CHED Cc1cc(CNCc2ccc(C#N)cc2F)ccc1Cl 180893711 WVADQNLKCPZGQZ-UHFFFAOYSA-N 288.753 3.949 30 20 CHED N#Cc1ccnc(SCCSc2ccccc2)c1 129421269 XWGYWKXKPCQIHY-UHFFFAOYSA-N 272.398 3.838 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc2ccccc2c1 125004596 HXKLXTITOPOQLN-ZDUSSCGKSA-N 269.344 3.760 30 20 CHED CCO[C@@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)C12CCC2 181813866 VGJABTDXLCRMGD-IAOVAPTHSA-N 284.403 3.557 30 20 CHED CCOCCC1(CNc2ccc(C#N)cc2)CCCC1 301693232 ZNDQMMDHXZLACW-UHFFFAOYSA-N 272.392 3.957 30 20 CHED C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H](C)S1 70387378 YHQWAELBWMSFAM-NXEZZACHSA-N 266.797 3.542 30 20 CHED CCC(CC)CNc1ccc(F)cc1OCC#N 181540590 OICAHPKANLXPRS-UHFFFAOYSA-N 250.317 3.576 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCc1ccc(F)cc1 186456144 HEWWSQSWYIDFQD-CQSZACIVSA-N 282.362 3.933 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(C#N)c2)CC1 71202747 BHCPCFYPOVIMOT-INIZCTEOSA-N 284.403 3.847 30 20 CHED CCC[C@@H](NC(=O)NCC1(C#N)CCC1)c1ccccc1 419398287 GWAPYGRSFSMPLX-OAHLLOKOSA-N 285.391 3.521 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC=CCC1 500302667 LGKTTXLBCSVLNF-SFHVURJKSA-N 296.414 3.899 30 20 CHED C=C[C@H](CC(=O)NCCc1ccccc1)c1ccccc1 121473745 YQJZBVVHXUEQPV-QGZVFWFLSA-N 279.383 3.705 30 20 CHED CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 414183177 NQQOHPDOWCIQDZ-DJIMGWMZSA-N 254.377 3.570 30 20 CHED COC1([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)CCC1 414298921 HOHUECNIBOEVEZ-KDOFPFPSSA-N 298.430 3.873 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2ncsc2c1 182587961 QOGHJCRAFQPRFS-LLVKDONJSA-N 274.389 3.771 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 412848900 ZMVPYEURIJCRHE-WNRNVDISSA-N 283.415 3.726 30 20 CHED Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SCCC#N 413009317 CANBBAWDSCOAET-SNVBAGLBSA-N 282.796 3.622 30 20 CHED CCCN(CC#N)Cc1ncc(-c2ccccc2)s1 124117913 URLUYQKFXKLHAY-UHFFFAOYSA-N 271.389 3.546 30 20 CHED Cc1cc(Cl)cc(CN(CC#N)C2CCCC2)c1 508694543 NEDVYRMYDUOBTR-UHFFFAOYSA-N 262.784 3.917 30 20 CHED Cn1c([C@@H](C#N)C(=O)CC2CCCCC2)nc2ccccc21 123442603 CVPPROFYSURGNO-AWEZNQCLSA-N 295.386 3.720 30 20 CHED C=CCC[C@H](NCc1cccc(N2CCCC2=O)c1)C1CC1 120161710 ZNPIYKVZEWAQKI-SFHVURJKSA-N 298.430 3.648 30 20 CHED CC[C@H](C)CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 188799041 BSWHZBUXNLIDMP-LBPRGKRZSA-N 297.320 3.609 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)[C@H](C)C1 500846106 NVPJUJVEWKWWPY-WBOJAVRRSA-N 299.418 3.743 30 20 CHED C=CCCCCCN1CCN(CCc2cccs2)CC1 486736086 YJMLOVYUXFPDCC-UHFFFAOYSA-N 292.492 3.655 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1O 211343070 LHSFEEPOIGMCLD-KXFIGUGUSA-N 290.265 3.575 30 20 CHED N#CCCCC[S@](=O)Cc1cc(Cl)sc1Cl 417219109 MFHDIKKPPVTZDJ-INIZCTEOSA-N 296.244 3.997 30 20 CHED C=C[C@@H](C)N[C@H](CC)CSc1ccccc1[N+](=O)[O-] 504912575 XUOXWKKMSHSJDX-VXGBXAGGSA-N 280.393 3.630 30 20 CHED C#CC[C@@H](OC(=O)c1coc2ccccc12)c1ccccn1 73293664 LUGRCINMDBQJDN-QGZVFWFLSA-N 291.306 3.749 30 20 CHED N#C[C@@H](C(=O)C1(c2ccc(Cl)cc2)CC1)c1ccccn1 78733381 YNYFAZLQMBOJGT-CQSZACIVSA-N 296.757 3.643 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCc2ccco2)c1 127397572 QZGMMNMORZWYNR-UHFFFAOYSA-N 266.222 3.782 30 20 CHED Cc1cccc(CCCN(CCC#N)CC2CC2)c1 181132638 IHIVPRCCRJHXOK-UHFFFAOYSA-N 256.393 3.553 30 20 CHED CCC[C@H](C)N1CC=C(c2ccc(C#N)cc2)CC1 500993292 QCRBMUVALSWOFZ-AWEZNQCLSA-N 254.377 3.836 30 20 CHED N#CC1(COC(=O)c2cnc3ccc(F)cc3c2)CCCC1 183844103 PDZNYZRCGXMEBQ-UHFFFAOYSA-N 298.317 3.615 30 20 CHED N#Cc1cc(NC(=O)c2cccc3[nH]ccc23)ccc1Cl 40853487 QTDDTXLXXQWUEM-UHFFFAOYSA-N 295.729 3.945 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1cc2ccccc2o1 182624854 SHTAEJXSHFGRBA-QWHCGFSZSA-N 267.332 3.527 30 20 CHED CC(C)(C(O)=Nc1ncn(C2CCCCC2)n1)C1CC1 329473736 ASKQFQLFJDPTKX-UHFFFAOYSA-N 276.384 3.808 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)c1c(C)noc1C)c1ccccc1 134748918 PNLQUPJJUIDMAY-IUODEOHRSA-N 298.386 3.829 30 20 CHED CCOc1ccc([C@H](C)NCC(C)(C)CC#N)cc1 414161866 GFEVQYKYOUZKBA-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1C 138127879 MLHMMPXYMTTWIY-BJMVGYQFSA-N 268.312 3.605 30 20 CHED N#CCN(CCC12CC3CC(CC(C3)C1)C2)C1CC1 525422710 KQABAFZFXIHXSK-UHFFFAOYSA-N 258.409 3.581 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccc(Cl)s1 193851538 CVFZRISXQJBCEY-SNVBAGLBSA-N 271.813 3.805 30 20 CHED N#Cc1cccc(CN2CCCCc3ccccc32)c1 88333549 KSJIIPBLKPHDNB-UHFFFAOYSA-N 262.356 3.901 30 20 CHED N#CC1(NC(=O)c2ccc(C3CCCC3)cc2)CCCC1 329807218 BHVRCLFNUMQDNQ-UHFFFAOYSA-N 282.387 3.910 30 20 CHED C=CCC[C@@H](CC)NC[C@](C)(O)c1ccc(F)cc1F 89727063 GUQLFOBHEIZBLW-CJNGLKHVSA-N 283.362 3.507 30 20 CHED C=CCC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CCC1 191940599 VRUIASSXAQCDKP-AWEZNQCLSA-N 288.778 3.767 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc2ncccc2c1 193998408 FKVOCERJXJRWLI-UHFFFAOYSA-N 280.371 3.619 30 20 CHED O=C(/C=C/c1nccn1-c1ccccc1)c1ccccc1F 191208624 TWVLBSVWRUVWEL-ZHACJKMWSA-N 292.313 3.908 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1CCCc1ccccc1 190411186 SMSNFTXGLAKYDI-GOSISDBHSA-N 283.415 3.804 30 20 CHED C#Cc1cccc(N(C(=O)[C@H](CC)SC)C(C)C)c1 133298790 RAWKDDNCNAPHGT-HNNXBMFYSA-N 275.417 3.551 30 20 CHED C=CCC[C@H](NCC1(CC)CCOCC1)C1CC1 426339425 LJKDLZJKPRYLHM-HNNXBMFYSA-N 251.414 3.528 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)c2cccc(C#N)c2)c(C)c1 518712060 RNQJFRJPKFZXAY-OAHLLOKOSA-N 292.382 3.536 30 20 CHED COCc1ccc([C@H]2CCCN2Cc2cccc(C#N)c2)o1 130939355 HOEKGEPCWHARNJ-QGZVFWFLSA-N 296.370 3.635 30 20 CHED C=CCN(CC=C)C(=O)C1(c2c(F)cccc2F)CCC1 421419746 LGJOKOLQQCCENJ-UHFFFAOYSA-N 291.341 3.587 30 20 CHED C#CCOc1ccccc1NC(=O)c1cccc(Cl)c1C 194876073 DXCIQIJZKYMMPB-UHFFFAOYSA-N 299.757 3.913 30 20 CHED CCCc1nc(COc2cccc(C#N)c2)cs1 42274405 ZGJXLAFGDLLTBI-UHFFFAOYSA-N 258.346 3.546 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 424741724 UEWPMSBLGOHJDW-OIISXLGYSA-N 284.403 3.974 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)s1 511323936 OZBCXUQZGXIGTI-SNVBAGLBSA-N 269.797 3.511 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2scc(C)c2C#N)C1 516580629 MZIQKRLXEYZWIT-HNNXBMFYSA-N 291.420 3.972 30 20 CHED C=CCN(C)C(=O)NC1CCC(CCCC)CC1 429759568 UTKCMGFJZNSIPL-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=C[C@H](C)/N=C(/O)Nc1sc(C)nc1CC(C)C 331031552 ZXNKUDOGOAGVRL-VIFPVBQESA-N 267.398 3.550 30 20 CHED C=CCSCCNC(=O)Nc1cccc(OCCC)c1 194601856 YANSSGMAJJDZTR-UHFFFAOYSA-N 294.420 3.516 30 20 CHED Cc1ncsc1C/N=C(/O)c1cc(C(C)C)oc1C 330609820 OHFIDFJNBYRBAQ-UHFFFAOYSA-N 278.377 3.981 30 20 CHED C=CCCC(=O)N1CCCSc2ccc(F)cc21 190417564 UMVBMZOPOPTYQC-UHFFFAOYSA-N 265.353 3.621 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1/N=C(/O)C[C@@H]1CCC(=O)[C@@H]1C 330011628 JGAVTRUPWNMWAY-HOSILWTGSA-N 295.423 3.542 30 20 CHED C[C@@H](CCNCc1ccc(OCC#N)cc1)c1ccccc1 237566747 VBEKLGFHVUTOFT-INIZCTEOSA-N 294.398 3.872 30 20 CHED CCOCc1ccc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)cc1 331311302 ZOPSDUPNWHNUMM-IUODEOHRSA-N 276.380 3.738 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1nc(Cl)c(C#N)s1 233837579 UIHBCOXUKCRDBK-SFYZADRCSA-N 257.790 3.905 30 20 CHED O=C(/C=C\c1csnn1)c1cccc2ccccc12 96307272 GHYVSNPRCRBTIQ-HJWRWDBZSA-N 266.325 3.587 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H](CC)CSC)c1ccccc1 91149558 ZPURAEXKHVXJEG-GDBMZVCRSA-N 291.460 3.946 30 20 CHED CC1(C)C[C@H](Nc2cccc(C#N)n2)c2ccc(F)cc2O1 339221754 LVNFGGHTFBZOHF-AWEZNQCLSA-N 297.333 3.807 30 20 CHED Cc1cccc(C(C)C)c1N/C(O)=N/C[C@]1(C)CCOC1 330755024 FSDSCZOLFRPALT-KRWDZBQOSA-N 290.407 3.871 30 20 CHED N#CCc1cccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)c1 334980741 BOOQQEGPVKZGMW-ZBFHGGJFSA-N 283.375 3.549 30 20 CHED Cc1cccc(Cl)c1NC(=O)N(C)CC(C)(C)C#N 336172178 NRJLQMLOSYYMCE-UHFFFAOYSA-N 279.771 3.662 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC(C)(C)C2(C)C)cc1 93507879 PASYFQUVKZNYKI-CYBMUJFWSA-N 272.392 3.598 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 431753526 ODGUQXNUPXMMGD-MKBNYLNASA-N 290.382 3.713 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H](C(C)C)C1 432563452 SSHLWKIPQJNCRP-AWEZNQCLSA-N 266.429 3.666 30 20 CHED CC1(C)C[C@@H](NC(=O)c2ccc(C#N)s2)c2ccccc21 431871789 RGQLMENDKGWAKB-CQSZACIVSA-N 296.395 3.772 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC[C@H]1CC 181103152 MWUIJXLYPFKONY-UONOGXRCSA-N 252.402 3.705 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)NCC1(CC#N)CC1 431197237 OOVTUIWNSGTBKR-HNNXBMFYSA-N 291.439 3.681 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 248451059 YGMDZSUVXPKWST-BPUTZDHNSA-N 261.409 3.792 30 20 CHED CCC(CC)[C@@H](CCNc1nccc(C)c1C#N)OC 343511871 MPQYZRFKYAWTQW-OAHLLOKOSA-N 275.396 3.515 30 20 CHED C[C@@H](NCCCOC1CCCC1)c1cccc(C#N)c1 181630215 PTEJMUABKMINGJ-CQSZACIVSA-N 272.392 3.558 30 20 CHED N#Cc1cc(-c2ccc(CC3(CN)CC3)cc2)ccc1F 600781128 AZKSFSHBANETDA-UHFFFAOYSA-N 280.346 3.646 30 20 CHED N#CCc1ccccc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 600977687 LKPMNWQZCDVXCL-BHYGNILZSA-N 296.414 3.841 30 20 CHED CC(=O)Nc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1 348242345 JBQIRPOGZMBXJM-CYBMUJFWSA-N 287.407 3.626 30 20 CHED CCc1ccc([C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 609019059 XFIMBMLERFZOPQ-ZDUSSCGKSA-N 278.355 3.863 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H](Cc2ccccc2)C1 525636108 GQWHONIUXYIQEH-MRXNPFEDSA-N 294.373 3.762 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1sccc1C#N 609566133 PYXUDLGOVRODHK-CYBMUJFWSA-N 284.384 3.827 30 20 CHED N#Cc1ccc(CNc2ccccc2)c(OC(F)F)c1 439547818 HZVPBJHMUPGSHY-UHFFFAOYSA-N 274.270 3.772 30 20 CHED C=C(CNC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 345834322 HLNPUFALENRVTA-UHFFFAOYSA-N 276.339 3.611 30 20 CHED CSc1ccc(C(=O)/C=C\c2cccnc2)cc1F 255915511 REMDXPKZASPDMG-XQRVVYSFSA-N 273.332 3.839 30 20 CHED N#Cc1cc2c(nc1NCc1cccc3cc[nH]c13)CCC2 341516282 LSBKHSNPZHWVQJ-UHFFFAOYSA-N 288.354 3.535 30 20 CHED C[C@@H](CCC#N)CN1CCc2c(Cl)cc(F)cc2C1 602675076 QJUIQPSFHXQNFZ-NSHDSACASA-N 280.774 3.777 30 20 CHED C[C@@H](CCC#N)CNC[C@H](c1ccccc1)C(F)(F)F 602622402 IEUQEOBOHZVIAK-GXTWGEPZSA-N 284.325 3.862 30 20 CHED C=CCCN(C)Cc1cn2cc(Cl)cc(Cl)c2n1 342731596 LMJGZQYCCNTIHP-UHFFFAOYSA-N 284.190 3.649 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccccc2nc1C 341641376 BWOASPLHRUYJKE-AWEZNQCLSA-N 268.360 3.628 30 20 CHED CC(C)(CCC#N)CNC(=O)CCc1c[nH]c2ccccc12 345917442 XSMVDMCDIUVSMO-UHFFFAOYSA-N 297.402 3.547 30 20 CHED CN(CCC#N)CCOc1ccc(Oc2ccccc2)cc1 435039102 ARAOOMPZZKSLSN-UHFFFAOYSA-N 296.370 3.703 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 345833677 PXOHMOFRJBCRJF-QWHCGFSZSA-N 287.407 3.880 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccnc(C)c1 347872995 KGUITLVIELHGAH-UHFFFAOYSA-N 280.371 3.609 30 20 CHED N#Cc1cccc(NC(=O)N2CCCc3sccc3C2)c1 609335294 KLQBTOPGNSENGR-UHFFFAOYSA-N 297.383 3.600 30 20 CHED C[C@H]1CCCC[C@H]1CN[C@H](C)CC1(C#N)CCOCC1 602522410 TZVLPBFMSPSGKE-XHSDSOJGSA-N 278.440 3.501 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C)cc1Cl 253386464 WVKXOYPXYQHBKV-LLVKDONJSA-N 267.756 3.568 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(C#N)s1)CO2 255809096 KFJGDFYAWGOMEM-GHXNOFRVSA-N 295.363 3.895 30 20 CHED C=C(CC)COc1ccc(NC(=O)c2cccnc2)cc1C 442099066 RLGCRXVYUWWNGQ-UHFFFAOYSA-N 296.370 3.987 30 20 CHED O=C1/C(=C\c2cccnc2)Cc2cc(Cl)ccc21 255471806 CMYDGMLCTKMGJQ-SDQBBNPISA-N 255.704 3.557 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)c2ccccc2C#N)c1 602282768 KZOQPFUIFAKEDV-DLBZAZTESA-N 290.366 3.633 30 20 CHED C=CCCCC[C@H](C)Nc1cc(C)cc(C(N)=O)c1 449528667 RAZULCYIPIPXQM-ZDUSSCGKSA-N 260.381 3.641 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1 255068410 HLCFQTCYPSHWBW-SZNGSJQDSA-N 293.322 3.579 30 20 CHED N#CCC1(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 602791735 IOBLMTZRVIPJMA-UHFFFAOYSA-N 299.805 3.873 30 20 CHED Cc1cnc(CON=Cc2ccc(Cl)cc2)s1 255578025 WQKVGPZFGXYCSW-UHFFFAOYSA-N 266.753 3.656 30 20 CHED C=CCCC1(C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1 356441946 CFWKFQLBPGFIME-CQSZACIVSA-N 287.403 3.576 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccccc1Oc1cccc(C)c1 441284033 WMWIBWQJHMOUSI-AWEZNQCLSA-N 294.354 3.819 30 20 CHED C=CC1CCN(C(=O)c2c(Cl)ccc(F)c2C)CC1 355987649 NKRNQUULOPDXCQ-UHFFFAOYSA-N 281.758 3.826 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCc2cc(F)c(F)c(F)c21 602684563 OVNNTTGLOFFTJC-CABZTGNLSA-N 282.309 3.621 30 20 CHED C[C@H](CCC#N)CNCC1(c2ccccc2Cl)CC1 602581614 WWVHSVZOOZLDNK-CYBMUJFWSA-N 276.811 3.901 30 20 CHED CCc1csc([C@H](C)Nc2ncc(C#N)cc2Cl)n1 601181574 KHKIXDQBYWHQOZ-QMMMGPOBSA-N 292.795 3.799 30 20 CHED COc1cc2nc(-c3ccc(C#N)cc3F)[nH]c2cc1C 446158411 VEYHHYUHJYMCSE-UHFFFAOYSA-N 281.290 3.558 30 20 CHED C=C(CC)CNCc1cc(Cl)c(OCC)c(OC)c1 449736104 VYTAUTIDRZVUKP-UHFFFAOYSA-N 283.799 3.803 30 20 CHED N#Cc1c(CN2C3CCCC2CCC3)cn2ccccc12 610370157 ZDLKXSZXBNAHRM-UHFFFAOYSA-N 279.387 3.718 30 20 CHED COc1ccc(/C=C\c2ccc(C#N)cn2)c(Cl)c1 357771351 KSRAJGIFTZXBOJ-UTCJRWHESA-N 270.719 3.786 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(CCC#N)Cc1ccccn1 358055001 XWLQXXVMFNJIKQ-HNNXBMFYSA-N 299.418 3.540 30 20 CHED CCn1cccc1CN(C)[C@@H](C)c1cccc(C#N)c1 442689210 RYFXJJBHKDVARF-AWEZNQCLSA-N 267.376 3.573 30 20 CHED C=CCCC(=O)N(CCc1ccccc1)Cc1ccncc1 263724364 BYXMWDXGKHPGRR-UHFFFAOYSA-N 294.398 3.619 30 20 CHED Cc1cc(C)cc(CCC(=O)N[C@H](C#N)C2CCCCC2)c1 532462398 CKCJVJVCZHTXHB-GOSISDBHSA-N 298.430 3.825 30 20 CHED N#C[C@@H]1CC[C@@H](NC2(c3ccc(F)cc3F)CCC2)C1 442875862 UMONANTVRXJEQR-DGCLKSJQSA-N 276.330 3.626 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(-c2ccco2)s1 610805362 WVOSAZBYPYNMCK-LLVKDONJSA-N 288.372 3.676 30 20 CHED CC(C)C[C@@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 356521555 UETQLLDJJPJQFS-GDBMZVCRSA-N 272.392 3.625 30 20 CHED C=CC[C@H](CC)Nc1cnc2cc(F)c(F)cc2n1 440635984 GYOPLBMFANEXOW-VIFPVBQESA-N 263.291 3.675 30 20 CHED Cc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1C(F)(F)F 448622092 OGOVJYFQVGGXDS-NOZJJQNGSA-N 282.265 3.502 30 20 CHED C=C[C@H](CO)N[C@H](CCC)c1ccc(Cl)c(Cl)c1 353569203 KNCOFXKTWLJLPE-BXUZGUMPSA-N 288.218 3.971 30 20 CHED C[C@@H]1CC[C@H](N[C@H]2CCc3cc(C#N)ccc32)[C@H](C)C1 618803886 JBDPKBMPWXOBOC-OSLDLMBLSA-N 268.404 3.960 30 20 CHED Cc1cccc(C2(C(=O)N[C@H]3CCC[C@@H]3C#N)CCCC2)c1 610498042 FZVRMCQPXQTFLW-WBVHZDCISA-N 296.414 3.615 30 20 CHED C=CCC1(CN[C@H](c2nccn2C)C2CC2)CCCC1 453392167 ZINUKBGGTSKWSF-HNNXBMFYSA-N 273.424 3.597 30 20 CHED C=C(C)CN1CCC(NCCc2ccc(Cl)cc2)CC1 459396047 DQKXGKAZMKETCT-UHFFFAOYSA-N 292.854 3.513 30 20 CHED C=CCC1(CNC(=O)CCC(F)(F)F)CCCC1 456484115 IHYOKUHIUCCRSL-UHFFFAOYSA-N 263.303 3.582 30 20 CHED C=CCC1(C(=O)NCCC2CCC(OC)CC2)CCCC1 450602367 WSAAHMQXJHEZGN-UHFFFAOYSA-N 293.451 3.834 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)c(Cl)c1 451208881 BKFAWCHRVLAKII-MEBBXXQBSA-N 292.766 3.615 30 20 CHED Cc1cccc(OC[C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 540596040 JHSZPLOKKIYDHN-HOTGVXAUSA-N 294.398 3.985 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(OC(C)(C)C)cc1 610571020 HMCXLZXNDDKKIQ-AWEZNQCLSA-N 288.391 3.532 30 20 CHED CCN(CCC1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 546211681 ZXGWWZBNENQHHL-UHFFFAOYSA-N 291.782 3.866 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccccc1SC(C)C 611250652 IEIGSEHOLMATRR-CYBMUJFWSA-N 290.432 3.855 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC1(C#N)CCC1 451189876 RWOMAMXOOOFZHW-INMHGKMJSA-N 268.404 3.947 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cnn([C@@H](C)CC)c1C 455271379 UPNPLATURPXHHJ-LBPRGKRZSA-N 292.427 3.886 30 20 CHED N#CCCCNC(=O)C1(c2cccc(Cl)c2)CCCC1 273078668 XERFFLJFAKGZJH-UHFFFAOYSA-N 290.794 3.572 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1ccc(F)cc1C#N 459669029 REJRCBFVLZIORM-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C=C(C)CCNC(=O)N(C)C/C(C)=C/c1ccccc1 455330434 UULQORVDLSYHNI-NTCAYCPXSA-N 272.392 3.698 30 20 CHED CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)n[nH]1 276833344 BPRPAPMHVYTNRG-AVGNSLFASA-N 297.406 3.602 30 20 CHED CCC(C)(C)c1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1 451313046 LSBCUIVSXDETPZ-PXAZEXFGSA-N 270.376 3.862 30 20 CHED CC[C@@H](CC#N)NCCCc1c(F)cccc1Cl 278483395 JXQYRDBCOCPWQM-NSHDSACASA-N 268.763 3.694 30 20 CHED N#C[C@H]1N(CCC2=CCCCC2)CCC[C@@]12CCCCO2 450881422 MDCMZPKDUXXGTE-MSOLQXFVSA-N 288.435 3.804 30 20 CHED C=CCN(C(=O)Cc1ccc(SCC)cc1)C1CC1 271434267 BNYYEMJDDZYSEZ-UHFFFAOYSA-N 275.417 3.518 30 20 CHED CCCCCN(C(=O)c1ccc(CC#N)cc1)C(C)C 270282367 MXERXGYIPDSZAY-UHFFFAOYSA-N 272.392 3.793 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C(C)(C)C)C(F)(F)F 547855062 ILMLYINETMWHRV-JTQLQIEISA-N 280.334 3.571 30 20 CHED CC(C)(C#N)CCCCN1CCc2cc(F)ccc21 549172979 QHQVNUYLDPHHQD-UHFFFAOYSA-N 260.356 3.908 30 20 CHED C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 278906581 ZTTSEUFKLOPZBY-XJKCOSOUSA-N 260.356 3.601 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](Cc1ccccc1)C(C)C 466543657 VGFUAYAQTJMZGG-IAGOWNOFSA-N 273.420 3.972 30 20 CHED C=CCN(C(=O)[C@@H](C)c1cccc(OC)c1)C(C)(C)C 622943462 CJWBORNPSFZQIU-ZDUSSCGKSA-N 275.392 3.612 30 20 CHED C=CC[C@H](CC)NC(=O)CCSc1ccc(C)cc1 466542961 WUDLZXFTYHFNGV-AWEZNQCLSA-N 277.433 3.948 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cccc(N2CCOC2=O)c1 281585860 LMCSQRMTNZWCLS-ZFWWWQNUSA-N 288.391 3.649 30 20 CHED CCCCS[C@H](C)C(=O)Nc1scc(C)c1C#N 288838972 OKRJDEIPCRSFAG-SNVBAGLBSA-N 282.434 3.789 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(C2=CCCC2)cc1 558670253 YZCWIWUAJHZFEX-QGZVFWFLSA-N 268.360 3.676 30 20 CHED C=C(CNC(=O)N(C)C(C1CC1)C1CC1)c1ccccc1 288007204 LSBUUDBEDAJEJM-UHFFFAOYSA-N 284.403 3.530 30 20 CHED C=CC[C@@H](CC)NCc1cc(C)c2ncccc2c1 466406742 YBEALEISPHGPIX-MRXNPFEDSA-N 254.377 3.988 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccc(OC3CCCC3)cc2)C1 556605712 FQAVAFOXXFFEQH-HZPDHXFCSA-N 284.403 3.790 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccccc1C)C(C)C 467011619 AIHFUGDGLOMYPO-INIZCTEOSA-N 274.408 3.910 30 20 CHED N#CC1(CCCOc2ccccc2Cl)CCOCC1 281249984 GVECQBRPFACJCW-UHFFFAOYSA-N 279.767 3.819 30 20 CHED CCc1ccc(CCNc2cccc(C#N)c2)cc1 462210037 MINUOQUBYWKPRP-UHFFFAOYSA-N 250.345 3.775 30 20 CHED C=CC[C@H](CC)NC(=O)c1c2c(nc3ccccc13)CCC2 466539541 LVGXRRBMYKJRBY-ZDUSSCGKSA-N 294.398 3.808 30 20 CHED C=CCC(C)(C)c1noc(CCC(=O)c2ccccc2)n1 551469522 DAYBFTCNTFVWGO-UHFFFAOYSA-N 284.359 3.739 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N1CCC(C)=C(C)C1 280565917 OEHAAAJWDAJXKQ-UHFFFAOYSA-N 299.374 3.531 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2cscn2)n1 551492423 PUTMINQKASWUAB-WAYWQWQTSA-N 261.350 3.550 30 20 CHED Cc1cccc([C@@H]2CCN(c3snc(C)c3C#N)C2)c1 553159130 GGURBKRKVJBGHV-CQSZACIVSA-N 283.400 3.626 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)CCCSCC#N 289463272 QIFVMJGVEFNHFB-INIZCTEOSA-N 292.448 3.725 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(-c2ncco2)cc1 282013118 RMAYHULZBJUJDR-ZDUSSCGKSA-N 285.347 3.818 30 20 CHED COc1ccc(OCc2ccc(Cl)cc2C#N)cc1F 478933156 HOASJKPCMRFLTJ-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)[C@H]1c1ccccc1 472838014 YFXIPBKZDPATBB-HOCLYGCPSA-N 272.392 3.745 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccccc2OC2CCCC2)C1 472140926 VTBDFPNQTHGYGY-GOEBONIOSA-N 284.403 3.790 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1ccc2c(c1)CCC2 553668830 WBSJKSCAVSASPY-GFCCVEGCSA-N 282.412 3.959 30 20 CHED C[C@@H](C#N)OCCSCc1c(F)cccc1Cl 802749824 OGKKRRVPVVPCPE-VIFPVBQESA-N 273.760 3.641 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 471713562 NHKZIVSBGTVIAL-NWDGAFQWSA-N 279.330 3.541 30 20 CHED C#Cc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1 809625918 CLEHIWZSDCRRPJ-UHFFFAOYSA-N 287.366 3.525 30 20 CHED COc1cccc(/C=N\C[C@H]2CCCC(F)(F)C2)c1O 800722223 ZWJSDGXHIADLPO-TZQXVGBESA-N 283.318 3.645 30 20 CHED C[C@H](C#N)OCCSCc1cc(-c2cccs2)on1 802750039 VHVXVRDWGCUYLH-SNVBAGLBSA-N 294.401 3.565 30 20 CHED C=CCCC1(C(=O)NCC(C)(C)CC(C)C)CC1 476314456 YGLGIKGXHLTJLY-UHFFFAOYSA-N 251.414 3.921 30 20 CHED CC#CCCCC(=O)NCc1ccc(C(C)(F)F)cc1 293673809 AFGLAEHMKMUELV-UHFFFAOYSA-N 279.330 3.608 30 20 CHED C=CC[C@H](CO)CN[C@H](C)C1CCC(C(F)(F)F)CC1 474893626 DRQZEWJSFANZTQ-KBHBFKLGSA-N 293.373 3.518 30 20 CHED C[C@H](OC(=O)C(C)(C)C1CC1)c1ccc(C#N)cc1 805700929 IYEJETIUJOABHF-NSHDSACASA-N 257.333 3.599 30 20 CHED C=CCCCCCNC(=O)N(C)Cc1sccc1C 565843077 XPDHPPPJYTVDJF-UHFFFAOYSA-N 280.437 3.944 30 20 CHED N#CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 397130324 URKYWXQPLXLQJI-IXDOHACOSA-N 288.435 3.745 30 20 CHED C=CCOc1ccc(CNC(=O)C=C(CC)CC)cc1 803378164 NBRMPDYVLWNUJA-UHFFFAOYSA-N 273.376 3.614 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(C(C)C)c1 806151173 CSLWUNLBHSGDOT-AWEZNQCLSA-N 258.365 3.733 30 20 CHED C[C@H]1/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 809157846 WGLPBKQNADWKRF-HPUUJOOBSA-N 279.295 3.978 30 20 CHED C[C@H](c1noc(-c2ccccc2OCC#N)n1)C(C)(C)C 809412853 FPZXMOHYECZBDZ-LLVKDONJSA-N 285.347 3.789 30 20 CHED C=CCCCCNC(=O)N1Cc2ccccc2C[C@@H]1CC 474072445 ISKSGBFFRBLETE-KRWDZBQOSA-N 286.419 3.889 30 20 CHED CO[C@@H](C)CCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297804094 OTSAXNJMEJWEDK-JTQLQIEISA-N 294.420 3.671 30 20 CHED C=CCC1(c2nc(Cc3cccc(C)c3)no2)CCC1 564221470 PVYMLRSBELOQCC-UHFFFAOYSA-N 268.360 3.967 30 20 CHED C=CCCCCCCNc1ccc(N)cc1[N+](=O)[O-] 804850767 BCKCDUABFJFXFY-UHFFFAOYSA-N 263.341 3.725 30 20 CHED C#CCCc1noc(CC(C)(C)C2CCCCC2)n1 809396457 HPRLQDLZGAHFFH-UHFFFAOYSA-N 260.381 3.784 30 20 CHED C#Cc1ccc(CN2CC[C@H](C(F)(F)F)C2(C)C)cc1 809650731 KUTRIDCJDYGCGF-AWEZNQCLSA-N 281.321 3.831 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cccc(C)c1Cl 489905385 FKRXFODUDVTIGW-UHFFFAOYSA-N 279.811 3.909 30 20 CHED N#CC1(CNCC(c2ccccc2)c2ccccc2)CC1 563699061 ZIJNFEHJMLSBFH-UHFFFAOYSA-N 276.383 3.712 30 20 CHED C=CCCCCCCCNC(=O)N(C)Cc1ccoc1 811928007 WKICIOJYXBMWJB-UHFFFAOYSA-N 278.396 3.948 30 20 CHED CC[C@H](C)[C@H](C)NCc1ccc(Cl)cc1C#N 480901087 RTIXTCXEXNZJMM-QWRGUYRKSA-N 250.773 3.736 30 20 CHED C/C=C(/C=C\C(=O)N[C@@H](C#N)c1ccc(CC)cc1)CC 813677979 KSURXWMPRAKDBY-DNFMTVOHSA-N 282.387 3.842 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(-c3ccncc3)on2)n1 560022310 WWKFPPQXINQBRU-UHFFFAOYSA-N 296.330 3.640 30 20 CHED C#C[C@H](NC(=O)[C@H](C)CCC)c1ccc(Cl)cc1 811949707 LUYFKJINMQATAR-RISCZKNCSA-N 263.768 3.567 30 20 CHED CC(C)OCCON=Cc1cccc(-c2ccccn2)c1 812238914 JBCGRSBPHKYZGF-UHFFFAOYSA-N 284.359 3.524 30 20 CHED C=C(C)CCNc1ccc(Cl)cc1C(=O)NCC1CC1 570006004 SJJGYYMWPAWSDI-UHFFFAOYSA-N 292.810 3.858 30 20 CHED CCOC(=O)c1ccc(NN=C2CC(C(F)F)C2)cc1C 812229297 DNNCIMXHIACYBP-UHFFFAOYSA-N 296.317 3.615 30 20 CHED CC(=NOCCOC(C)C)c1sc(C(C)(C)C)nc1C 812239269 PJPDKUJQSXTEMX-UHFFFAOYSA-N 298.452 3.915 30 20 CHED N#CCC[C@@H](C#N)CNC1CCC2(CCCCC2)CC1 577723195 JXNVEVZYPBJPFA-HNNXBMFYSA-N 273.424 3.913 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(C(F)F)cc1 815314488 VFBSITFYWQJMRE-UHFFFAOYSA-N 276.229 3.879 30 20 CHED Cl/C=C\CON=Cc1nc(-c2ccccc2)cs1 811668148 LEFLROHGEJTZFX-OPXLJTMYSA-N 278.764 3.913 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1ccc(F)c(F)c1 815313291 BORHIGHBJMPUBF-MRVPVSSYSA-N 276.229 3.780 30 20 CHED Cc1nc(Oc2ccc(C=O)cc2Cl)ccc1C#N 813589946 XWLGDMJPSZGPKS-UHFFFAOYSA-N 272.691 3.520 30 20 CHED Fc1c(Cl)cccc1NN=Cc1cccnc1Cl 814818990 SDNZGJZNTJHWSU-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(CC)C1CCCC1 576195429 FRJKUXOEBCFIIP-UHFFFAOYSA-N 288.439 3.891 30 20 CHED C=C[C@H]1CCCCN1Cc1cccc(OC(F)F)c1 489435307 UANSUVCPOODJNY-ZDUSSCGKSA-N 267.319 3.829 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1csnn1 814750893 CHSOGQBVJCCCPZ-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C=C(CC)CN[C@@H](c1ccc(F)cc1)C(F)(F)F 488242531 IHYFJMGBGPLPNK-LBPRGKRZSA-N 261.262 3.985 30 20 CHED C=C(Cl)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 815209524 YHSSUSNXTOXOEN-CYBMUJFWSA-N 272.175 3.546 30 20 CHED CCC(C=NNc1nc(-c2ccccc2)no1)CC 726739449 MJRZBXWBXIPIOO-UHFFFAOYSA-N 258.325 3.571 30 20 CHED CCC/C(C)=C/C(=O)N(CCC#N)CC(CC)CC 729433322 OUEFQSYZHPLAGO-WYMLVPIESA-N 264.413 3.911 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)c3cccnc23)CCC1 577811238 VDAIHPWEZWGIJI-UHFFFAOYSA-N 296.370 3.928 30 20 CHED Cc1ccsc1C=NNCCCc1ccccc1 729145927 HPSHNOYRAKBQNV-UHFFFAOYSA-N 258.390 3.613 30 20 CHED N#CCCNCC1(Sc2ccccc2)CCCC1 571756132 WHNNYSQDVJZRDA-UHFFFAOYSA-N 260.406 3.595 30 20 CHED Cc1ccc([C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)s1 822717075 VOICRAVSOLBKAD-MLGOLLRUSA-N 288.416 3.708 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c(F)c1 571706054 OQAPZDSFGXIWOX-KRWDZBQOSA-N 288.366 3.727 30 20 CHED CC[C@H](C)[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 728711554 FKKIUFLKAWYMPA-BFHYXJOUSA-N 260.381 3.502 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(F)ccc2F)ccc1O 728231997 PTQMNYVURHXWIQ-UQCOIBPSSA-N 274.266 3.875 30 20 CHED C=CCCC(=O)N[C@@](C)(c1ccc(F)cc1)C(F)(F)F 578808940 AUEWTPWCVJOXKH-ZDUSSCGKSA-N 289.272 3.686 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CC23CCCC3)cc1 573660782 YHBVKQGEZBUMDX-OAHLLOKOSA-N 297.402 3.942 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccncc1C 579194936 VDDXDRUTRDYVSE-UHFFFAOYSA-N 298.434 3.746 30 20 CHED C#Cc1cccc(NC(=S)N(CC(C)C)CC(C)C)c1 726433052 YNGVICPZAPRWFZ-UHFFFAOYSA-N 288.460 3.979 30 20 CHED CC(=O)c1ccc(C#N)cc1NCC(C)(C)c1ccccn1 828467614 DCGXPZBJKXWKNM-UHFFFAOYSA-N 293.370 3.546 30 20 CHED C[C@@H](C=NNCCCOc1ccccc1)c1ccccc1 729147419 APTBOUPWXZGGPC-INIZCTEOSA-N 282.387 3.835 30 20 CHED C#Cc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)nc1 728801083 RTYAFNMCFXOQHJ-UHFFFAOYSA-N 284.746 3.585 30 20 CHED C=CCCCCC[C@@H](C)NC1C[C@@H]2CC[C@H](C1)N2C 824988596 OQDXDRFJIAIOBF-MGNMYUMUSA-N 264.457 3.726 30 20 CHED C=CCCC(=O)NC(C)(C)c1ccc(Br)cc1 588027134 VKSBBTOQOQAYQG-UHFFFAOYSA-N 296.208 3.767 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H](C)CCCc1cccnc1 821332401 OEYLSCRULGYOKN-AWEZNQCLSA-N 275.392 3.938 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(F)c(F)c(F)c2)C1 666165918 AJWBBULRRQMXKT-JTQLQIEISA-N 298.308 3.924 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 584876261 LVFOUTBTEXAQFM-GXTWGEPZSA-N 290.407 3.805 30 20 CHED Cc1cc(C)c(/C=C\C(=O)Nc2ccc(C#N)cn2)cc1C 731988914 JSUVUDIEMXRPBW-ALCCZGGFSA-N 291.354 3.530 30 20 CHED Cc1ccc(-c2ccccc2C=NN[C@@H]2CCOC2)c(C)c1 901231216 FSCIHVQFWLSTML-QGZVFWFLSA-N 294.398 3.683 30 20 CHED C=C(C)C[C@H](N[C@@H](C)CC(C)(C)c1ccccc1)C(=O)O 901680371 WWBABJGDJDFVTR-HOCLYGCPSA-N 289.419 3.752 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc3c1OCCO3)C2 730948970 POIMUMMBYHPPOD-RVDMUPIBSA-N 292.334 3.589 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccccc2C#N)c1 588618277 KPSANEOIXZCXAR-KHPPLWFESA-N 277.323 3.853 30 20 CHED CCCN(CC)Cc1cc(C#N)ccc1Br 492609702 VJVBUGZIIBUZCA-UHFFFAOYSA-N 281.197 3.553 30 20 CHED C=CCOc1ccccc1CNC(=O)N(CC)[C@@H](C)CC 664078496 NCHAEBAIVIVSCB-AWEZNQCLSA-N 290.407 3.581 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CCC[C@H](C(F)(F)C(=O)O)C1 902262409 IYMPPGFMDKXOOF-RWMBFGLXSA-N 289.366 3.600 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)Cc1occc1C 839662391 XWKLCQTYWXZSCJ-UHFFFAOYSA-N 284.359 3.513 30 20 CHED C[C@@H](C[C@H]1CCOC1)Nc1ccc(C#N)c(C(F)(F)F)c1 589584790 OSRDKQCDHUTKDG-WDEREUQCSA-N 298.308 3.804 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C(=O)O)c1cc(C)cc(C)c1 901530463 HTQAUORPQYYNRG-HZPDHXFCSA-N 275.392 3.764 30 20 CHED N#CC1(CCCCOC(=O)c2ccc(Cl)cn2)CCC1 909016818 AXDGUOWOGYZSPM-UHFFFAOYSA-N 292.766 3.756 30 20 CHED CCOCC(C)(C)CN[C@H](CC)c1cccc(C#N)c1 902993104 FYQRRPAOCAHNOI-MRXNPFEDSA-N 274.408 3.662 30 20 CHED N#CCOc1ccc(Cl)cc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 830585384 AGJVPLLTBGWIMS-BYCMXARLSA-N 290.794 3.521 30 20 CHED C=CCC[C@H](NC[C@H](C)CC1CCCCC1)C(=O)O 901691346 WPBHDSYQDIPXNS-HIFRSBDPSA-N 267.413 3.602 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C/C1CCCCC1 735469674 VHMZKKZVUQURAN-MDZDMXLPSA-N 276.424 3.911 30 20 CHED C#CCC[C@H](C)OC(=O)C1CCC(C(F)(F)F)CC1 839039309 PWWXDAYCTKMMNV-UNXYVOJBSA-N 276.298 3.700 30 20 CHED C[C@@H]1CCc2[nH]c3ccc(C(=O)O[C@H](C)CC#N)cc3c2C1 733708332 SWHHIASWPIJIDG-VXGBXAGGSA-N 296.370 3.752 30 20 CHED C[C@H](OC(=O)C(C)(C)C1CCC1)c1cccc(C#N)c1 835129922 BCQJSTLYPDMMQO-LBPRGKRZSA-N 271.360 3.989 30 20 CHED C#CCCCCCCOC(=O)[C@@H](C)Sc1ccccn1 835715349 YYRSBSUZPXJSCB-CQSZACIVSA-N 291.416 3.689 30 20 CHED C=CCC[C@@H](NC1CCC(O)(CC)CC1)c1ccco1 671751080 OINTXBNUQWBCGU-ISXOHVOVSA-N 277.408 3.960 30 20 CHED COc1ccc(C)cc1C=NNc1c(F)cccc1F 735615018 HYDDCXIHGXQGTB-UHFFFAOYSA-N 276.286 3.728 30 20 CHED C[C@H](c1ccccc1Cl)N(C)C(=O)C#CC(C)(C)C 837332914 BYVQYUUTCHSMIX-GFCCVEGCSA-N 277.795 3.909 30 20 CHED C#CCCOC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744049820 ZMKNNKBSNXCOLJ-STQMWFEESA-N 283.154 3.663 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]2c2ccccc2)cc1F 594996267 XQPLQRBGSREADZ-SJLPKXTDSA-N 280.346 3.733 30 20 CHED C=CC(C)(C)C(=O)O[C@@H]1CCOc2c(F)cc(F)cc21 835435469 WCSFVHWAZDMKCG-GFCCVEGCSA-N 282.286 3.544 30 20 CHED Cc1ncccc1C=NNc1ccc(C(C)C)cc1 835018229 JLUUKRMNMAAOJH-UHFFFAOYSA-N 253.349 3.959 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCCCCC#N)C1(C)C 591115411 JHLFLWODLOEXSE-UONOGXRCSA-N 294.439 3.559 30 20 CHED C#CCCCNC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 749579869 LHSAPLWVWNLWMO-MRXNPFEDSA-N 286.419 3.795 30 20 CHED C=C1CCN(c2ncnc3sc4c(c23)CC[C@H](C)C4)CC1 594704096 JXAWEVOTCIDOGA-LBPRGKRZSA-N 299.443 3.973 30 20 CHED N#Cc1cc(Cl)c(C(=O)NCC2=CCCC2)c(Cl)c1 598377086 SJJZLNYAYGFWHT-UHFFFAOYSA-N 295.169 3.705 30 20 CHED CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)c1cccs1 916277648 OGOHRJBITUTJHH-ZYHUDNBSSA-N 295.477 3.515 30 20 CHED C=CCCOC(=O)/C=C/c1ccc2cc(OC)ccc2c1 919667993 SJIAEPBDGJUGBU-UXBLZVDNSA-N 282.339 3.981 30 20 CHED CCC1(NC(=O)CCCCCC#N)CCCCC1 590873368 OJRZYVLXAWAOJQ-UHFFFAOYSA-N 250.386 3.690 30 20 CHED N#CCC[C@@H](C#N)CN1CCC(C2CCCCC2)CC1 917010095 PLYPPSNYJAIZLS-HNNXBMFYSA-N 273.424 3.722 30 20 CHED CN(CCC#N)c1ccc(CN2CC[C@H](C3CCC3)C2)cc1 840978171 MOYDWOSOFQHEHK-SFHVURJKSA-N 297.446 3.658 30 20 CHED C=CCN(C(=O)c1ccc(CC(C)C)cc1)C(C)C 915153112 BZQGGLAKKWOLHP-UHFFFAOYSA-N 259.393 3.922 30 20 CHED Cc1cc(C)c2c(c1)CC[C@@H]2NCc1cccc(C#N)c1 594493337 CGRKTSOIPNQDTA-SFHVURJKSA-N 276.383 3.952 30 20 CHED CC(C)[C@H]1N(C(=O)CC2(C#N)CCCCC2)CC1(C)C 597691700 FGALVMAUXWDHKC-OAHLLOKOSA-N 276.424 3.744 30 20 CHED CC1(C#N)CCN(CC[C@@H]2CCc3ccccc32)CC1 595431026 WRWKSVYHGLGWEI-INIZCTEOSA-N 268.404 3.732 30 20 CHED FC(F)(F)CCON=Cc1ccccc1Br 740872920 WSFJMWZADIDUAQ-UHFFFAOYSA-N 296.086 3.752 30 20 CHED C=CCNC(=S)Nc1cccc(COc2ccccc2)c1 917599237 ISEINWAAFQFGOH-UHFFFAOYSA-N 298.411 3.738 30 20 CHED CCOc1cccc([C@@H](C)/N=C/c2cc(OC)ccc2O)c1 745012716 ONJYCKWLYHHIDW-KZKLBEMASA-N 299.370 3.980 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCSCCCC)C1 597999724 WIPIXMAMGVERGB-CQSZACIVSA-N 269.454 3.725 30 20 CHED CCCN1C(=O)C(=NN=C[C@@H]2CC=CCC2)c2ccccc21 916312710 LINRTCGHNPVPKS-CQSZACIVSA-N 295.386 3.574 30 20 CHED C[C@@H](OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C(C)(C)C#N 842324810 GKHKEVGFISQQGH-MRRJBJDNSA-N 271.360 3.662 30 20 CHED C=CCNC(=N)NCC(CC)(CC)c1ccc(Cl)cc1 849000937 GKEQBPBXKVYAJY-UHFFFAOYSA-N 293.842 3.698 30 20 CHED C[C@H](NC(=O)N1CCC[C@H](CC#N)C1)[C@@H]1CCC[C@@H](C)C1 595649239 XLHFEUBVXVNPOY-QKPAOTATSA-N 291.439 3.536 30 20 CHED CC#CCOC(=O)C1(Sc2ccccc2)CCCC1 745029253 OEAHNLOUWVJKNT-UHFFFAOYSA-N 274.385 3.658 30 20 CHED N#CCC1(CNc2ccc(Oc3cccnc3)cc2)CC1 849316875 NQGLYLJZWPWRHP-UHFFFAOYSA-N 279.343 3.980 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@]1(C)CCc2ccccc21 592610452 CAGPVWYIKOSNOZ-IBGZPJMESA-N 290.366 3.709 30 20 CHED C[C@H](OC(=O)[C@H]1Cc2ccccc21)c1ccc(C#N)cc1 748679464 GWCWNWSJEWTKLW-SJCJKPOMSA-N 277.323 3.502 30 20 CHED C=CCCC(C)(C)NC(=O)CSCCC(C)C 598520707 COPKKIGRIYWHNY-UHFFFAOYSA-N 257.443 3.627 30 20 CHED CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(Cl)c1 598603089 RWHFKGQVRFYJKC-LSDHHAIUSA-N 294.826 3.681 30 20 CHED C=C1CCN(C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 929223377 UPMPYETURIUZKP-UHFFFAOYSA-N 294.782 3.841 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2ccc3ccccc3c2)C1 752392296 GVLXGYJWAFHUNQ-GOSISDBHSA-N 293.370 3.997 30 20 CHED CC1(C)CCC[C@@H](C=NNc2nc(-c3ccncc3)no2)C1 752728673 XGOFABQVIFPPBM-GFCCVEGCSA-N 299.378 3.746 30 20 CHED N#CC1(OC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)CCC1 850882402 XXFHYMZIJCIKFQ-HOTGVXAUSA-N 283.371 3.635 30 20 CHED COc1cccc(/C=C2/Cc3c(F)cccc3C2=O)c1OC 921266665 QHBBDASGQBXQHS-XFXZXTDPSA-N 298.313 3.665 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)[C@H](C)CCCOC 851144918 UULXHVMOMYCTQA-RBSFLKMASA-N 268.397 3.727 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(Cl)nc2Cl)C1 852319480 NQDANJKXFONBJA-SNVBAGLBSA-N 284.190 3.514 30 20 CHED C#CC(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 754075519 KKNDPTBAKLSFSJ-INIZCTEOSA-N 275.779 3.711 30 20 CHED C#CC[C@H](CCOC)NCc1ccc(Cl)cc1Cl 858331907 KLOWWNBQQUAUMS-CYBMUJFWSA-N 286.202 3.511 30 20 CHED CN(C)c1ccc(/C=C2/Cc3c(F)cc(F)cc3C2=O)cc1 751535199 ICBGWNLCLKDPOP-GHXNOFRVSA-N 299.320 3.853 30 20 CHED Cc1c(F)cccc1C(=O)O[C@H](C)CC(C)(C)C#N 851205317 HLKPVBKIOJGBTF-SNVBAGLBSA-N 263.312 3.619 30 20 CHED C(=NN(c1ccccc1)c1ccccc1)c1cc[nH]n1 755466120 VJURDOSGSUJLEM-UHFFFAOYSA-N 262.316 3.582 30 20 CHED O=[N+]([O-])c1cc(C=NNc2cccc(Cl)c2F)cs1 921137768 KPJYSTRIYQLORW-UHFFFAOYSA-N 299.714 3.895 30 20 CHED C#CC[C@@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccccc1 757761853 OVSNCUMOALXEIV-GOEBONIOSA-N 284.403 3.581 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2CCC)CC1 929517765 KYZKCSKSBKPXHQ-UHFFFAOYSA-N 258.365 3.823 30 20 CHED C#CC[C@@H](NC(=O)Nc1nc(C)c(C)s1)c1ccccc1 756922448 SHKNNYNKAWDNIP-CQSZACIVSA-N 299.399 3.646 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)Cc1c(C)noc1C 851140993 DZEBKQBQGWADLH-UKRRQHHQSA-N 277.364 3.512 30 20 CHED Cc1ccnc(NN=C2C[C@H](C)c3c(F)ccc(O)c32)c1 755900112 KCLXYBFNOOVWTQ-JTQLQIEISA-N 285.322 3.558 30 20 CHED C=C[C@H](OC(=O)Cc1c(CC)noc1CC)c1ccccc1 851451417 HMTVQHQOEHMZHI-INIZCTEOSA-N 299.370 3.812 30 20 CHED C#CC[C@H](OC(=O)c1ccsc1Cl)C(C)C 853108359 FSJFZNYWZFMWNG-JTQLQIEISA-N 256.754 3.606 30 20 CHED CCn1nc(C)c(C=NNc2cccc3c2CCCC3)c1C 755661962 PGLHSDFDOPNYNV-UHFFFAOYSA-N 296.418 3.845 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C/c2ccc(OC)cc2)C1 855441138 VOROVQLNRWCJIL-YHVDPYDOSA-N 285.387 3.523 30 20 CHED C#CC[C@@H](NC(=O)N1C[C@H](C)CC1(C)C)c1ccccc1 757762332 OKNONYGJVJWLKF-GDBMZVCRSA-N 284.403 3.581 30 20 CHED N#C[C@@H](C(=O)C1CCC2(CC1)CC2)c1nc2ccccc2o1 850781648 AWRHIGFXETVQQG-ZDUSSCGKSA-N 294.354 3.974 30 20 CHED Cc1cc2cc(C=NOCC(F)F)oc2cc1C 758903580 LXIXKJBKLOZZHF-UHFFFAOYSA-N 253.248 3.665 30 20 CHED CC(=NNc1cc(C)ncn1)c1cccc(C(C)C)c1 863093556 RUSGPVFWVPJPQG-UHFFFAOYSA-N 268.364 3.745 30 20 CHED Cc1ccc(NN=Cc2ccc(Br)o2)cc1 864536536 HVBYNBHDKQTFNZ-UHFFFAOYSA-N 279.137 3.797 30 20 CHED C=C[C@@H](CC)CC(=O)NC1(c2nc(C)cs2)CCCC1 932674511 WHNRBDKXTPQTMA-ZDUSSCGKSA-N 292.448 3.939 30 20 CHED C=CCN(C(=O)[C@@H](CC)OC1CCCCC1)C(C)C 760354662 BUXNWDLTYAXXDI-OAHLLOKOSA-N 267.413 3.537 30 20 CHED C#C[C@H](OC(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccc(C)cc1 860964658 VXVKIESEKIUONK-PVAVHDDUSA-N 286.371 3.560 30 20 CHED C=CCN(C(=O)Nc1ccc(-c2ccon2)cc1)C(C)C 933730319 NDONOYVSPBRINU-UHFFFAOYSA-N 285.347 3.770 30 20 CHED C#CCCCN1CCCC[C@H]1c1nc2ccccc2n1C 766916084 BHNRPCMERLEANE-KRWDZBQOSA-N 281.403 3.514 30 20 CHED Cn1cc(NN=Cc2sc3ccccc3c2Cl)cn1 761885082 NWJAMEDFLRROKC-UHFFFAOYSA-N 290.779 3.734 30 20 CHED C=CCCCOC(=O)Cc1c(C)oc2ccccc12 767728678 XPKQGZTZURMGOA-UHFFFAOYSA-N 258.317 3.793 30 20 CHED C#C[C@@H](OC(=O)[C@H](C)c1ccc(C)o1)c1ccc(C)cc1 860964132 KKFACBFWHFPZPO-GDBMZVCRSA-N 282.339 3.918 30 20 CHED N#CC1(OC(=O)c2cc3cc(F)ccc3s2)CCC1 762097358 CCRSUNFHWYPZPM-UHFFFAOYSA-N 275.304 3.643 30 20 CHED C#CCN(C(=O)N[C@H](CC)C(C)(C)c1ccccc1)C1CC1 764724956 HWZIWPGHFVSDFO-QGZVFWFLSA-N 298.430 3.550 30 20 CHED C#CC[C@@H](Nc1nc2ccccc2[nH]1)c1ccccc1 762552176 IDQYRMQRUDLIMU-CQSZACIVSA-N 261.328 3.739 30 20 CHED Cc1ccccc1C(=NNCc1ccc(C#N)cc1)C1CC1 769820848 KVSWIZVFGYDSEC-UHFFFAOYSA-N 289.382 3.771 30 20 CHED CSCCCCCCN[C@H](C)CC1(C#N)CCOCC1 877304244 WVOJHSKKDXPEMD-OAHLLOKOSA-N 298.496 3.598 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1C[C@@]12CCCc1ccccc12 776390988 ITXPHCAHXCWWKC-VQIMIIECSA-N 297.398 3.764 30 20 CHED N#C[C@@H](OC(=O)[C@H]1CC12CCCC2)C1CCCCC1 776394413 XHQRMDRBDSCYLX-ZIAGYGMSSA-N 261.365 3.582 30 20 CHED C#CCCCCC(=O)N1C[C@H](C(C)C)c2ccccc21 772917187 LVEMSZSCFDFYPW-MRXNPFEDSA-N 269.388 3.966 30 20 CHED C#CCN(CC1CC1)C(=O)[C@@H](C)CCCc1ccccc1 1116473743 TUPJDMUKPLNOAD-INIZCTEOSA-N 283.415 3.517 30 20 CHED C=C(Br)COc1ccc(C)c2c1C(=O)C[C@H]2C 1115986478 KGBZKSJJKVBXJT-SECBINFHSA-N 295.176 3.972 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(F)c(C(=O)CC)c1 776016055 LDAWCCYXLCYUMB-LBPRGKRZSA-N 291.366 3.893 30 20 CHED Cc1cc(CNc2ccc(F)cc2OCC#N)c(C)o1 779605262 VFZNXZGMQOZVJN-UHFFFAOYSA-N 274.295 3.550 30 20 CHED COc1cc(/C=C2\Cc3ccc(F)cc3C2=O)ccc1C 773139579 LDLBOCMWFBCUPG-VGOFMYFVSA-N 282.314 3.965 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 779840290 YHYONVDOGBUKRZ-YESZJQIVSA-N 275.436 3.997 30 20 CHED C[C@@H]1C[C@H](C/N=C/c2c(O)ccc3ccccc23)CCO1 770569171 RGBKVTNSLIDZFN-SLIIDIDTSA-N 283.371 3.779 30 20 CHED COc1cccc(C(=O)/C=C\c2nc3c(s2)CCCC3)c1 776263913 UMIBTGOQVKMXRO-KTKRTIGZSA-N 299.395 3.927 30 20 CHED C#CCCCCCC(=O)N(Cc1ccccc1)CC(F)F 779967956 MJSRBDJHKFHRNV-UHFFFAOYSA-N 293.357 3.864 30 20 CHED C#CCCCCCC(=O)N(C)c1c(F)cccc1F 779859226 QKFUQAKZJMENLV-UHFFFAOYSA-N 265.303 3.511 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc(C)c(Cl)cc1C 1121252724 HEZRPAJVAJUGRZ-LBPRGKRZSA-N 278.783 3.721 30 20 CHED CC1(C(=O)OCc2cccc(C#N)c2)CCCCC1 781268342 JUDRJQPETPGTKP-UHFFFAOYSA-N 257.333 3.572 30 20 CHED C[C@@H](C=NNc1ncccn1)c1ccc(C(F)(F)F)cc1 788990904 BXPCWEYFDKREHJ-JTQLQIEISA-N 294.280 3.697 30 20 CHED CCCCCC[C@@H](CC)C(=O)NCC(C)(C)C#N 782098733 NKWRIBZJTGPRBK-CYBMUJFWSA-N 252.402 3.649 30 20 CHED C/C=C(\CC)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 789804263 LEIURFBPYKACQT-OZXDREDASA-N 282.387 3.641 30 20 CHED CCCCN(CCCC)C(=O)[C@@]1(C#N)CC12CCCC2 1124923860 LHCJQBANEHABHB-KRWDZBQOSA-N 276.424 3.889 30 20 CHED CCCCCCCCC(=O)Nc1nc2cccnc2n1C 788143237 WVJNICTUXQHNSR-UHFFFAOYSA-N 288.395 3.657 30 20 CHED C#C[C@H](C)OC(=O)c1ccc(OC)c(-c2ccccc2)c1 1122714706 XDMGXVPMCPJLDI-ZDUSSCGKSA-N 280.323 3.541 30 20 CHED CC(=O)c1ccc(C(=O)Nc2cccc(C#N)c2C)cc1C 1126997206 JOEODYLRBLAUAX-UHFFFAOYSA-N 292.338 3.630 30 20 CHED C[C@@H](CCC#N)CNc1cccc(-c2ccon2)c1 897386938 USANYJYQDCTXNR-LBPRGKRZSA-N 255.321 3.693 30 20 CHED Cc1ccc(-c2nc([C@@H]3CC3(Cl)Cl)no2)cc1C#N 896813296 MMPYERNDDFSQKB-JTQLQIEISA-N 294.141 3.578 30 20 CHED C=CCCc1noc([C@H]2CC(c3cc(C)ccc3C)=NO2)n1 896387070 RTGNJWRTKOSNPY-OAHLLOKOSA-N 297.358 3.671 30 20 CHED C=CCCN(C)C(=O)/C=C\c1ccccc1O[C@@H](C)CC 786669921 JPVOQSPSDORKOL-LLNWESEBSA-N 287.403 3.912 30 20 CHED C=CCOc1cccc(C=NNC2CCCCC2)c1 786042907 CQSCNGSKTQRIRL-UHFFFAOYSA-N 258.365 3.508 30 20 CHED CS[C@@H]1CC[C@H](Nc2c(F)cc(C#N)cc2F)C1 78476356 CHODUPQQXDEURH-VHSXEESVSA-N 268.332 3.532 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cc(F)ccc1C)OCC 782296950 AHNAQGMANZNMBP-OAHLLOKOSA-N 280.339 3.549 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2sccc2Cl)cc1 782098151 QYOVNEVUBJYOFX-UHFFFAOYSA-N 281.724 3.756 30 20 CHED c1ccc2nc(NN=C3CCC4(CC3)CC4)cnc2c1 792635758 LVIROWHZIHVBBL-UHFFFAOYSA-N 266.348 3.752 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccccc1Cl 798376797 ZLVLJQFOJZIMFZ-JTQLQIEISA-N 268.813 3.981 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NN[C@@H](C)C(C)(C)C 793112971 YPMAPQGIOXBSOY-AWEZNQCLSA-N 284.407 3.539 30 20 CHED Cc1ccc(C(=O)N2CCCC3(CCCC3)C2)cc1C#N 799725474 FPFXVNOBKQCYHW-UHFFFAOYSA-N 282.387 3.663 30 20 CHED Cc1cc(C(=O)/C=C\c2ccn(-c3ccccc3)n2)oc1C 799897601 QUDIASYOYZCHHR-HJWRWDBZSA-N 292.338 3.978 30 20 CHED CC(C)CCOc1ccc(NC(=O)c2ccc(C#N)o2)cc1 794367196 VRMDCBXTHDGCTB-UHFFFAOYSA-N 298.342 3.828 30 20 CHED N#Cc1ccc(O)c(NC(=O)/C(F)=C/C2CCCCC2)c1 798172137 GQSPNQCTJJSSOB-JYRVWZFOSA-N 288.322 3.636 30 20 CHED C=C(C)CNc1cnn(-c2cccc(C#N)c2)c1CCC 790323456 ZZKHAUBNPMHYNN-UHFFFAOYSA-N 280.375 3.684 30 20 CHED Cc1cccc(C)c1OC(=O)/C=C/c1ccccc1C#N 799465629 HWNSOHMOQZJVPK-ZHACJKMWSA-N 277.323 3.794 30 20 CHED Cc1cc2c(NC(=O)C3(C)CCCCC3)n[nH]c2cc1C#N 1144854595 PKAJNACUFFEHOF-UHFFFAOYSA-N 296.374 3.652 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1cc(C#N)ccc1OC 796325305 ATSUWUNBXIJAHM-QGZVFWFLSA-N 289.375 3.826 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1C2CCCC1CCC2 1146507952 RIAXQSMORDDENE-AOCRQIFASA-N 296.414 3.693 30 20 CHED C#CCCCCc1nnc(-c2cccc(Cl)c2)o1 1322389544 SYUGSXQTEYVAKB-UHFFFAOYSA-N 260.724 3.736 30 20 CHED C#CCCCCc1nnc([C@H](CC)c2ccccc2)o1 1322362849 DHCZJUVPFKHXSS-OAHLLOKOSA-N 268.360 3.958 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(CC(C)C)cc1 1320592098 MWCKTZFWVBTOOE-WMLDXEAASA-N 261.409 3.737 30 20 CHED Clc1ccccc1-c1nnc(C#Cc2ccccc2)o1 1327400292 ZLSVMZSXNGRSOJ-UHFFFAOYSA-N 280.714 3.790 30 20 CHED CCN1CCc2ccc(Nc3c(C#N)cccc3C#N)cc21 1255901695 BPBJSGNGMDBXBQ-UHFFFAOYSA-N 288.354 3.556 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc(Cl)c1O 1337488990 PWLOGUDBMPUVRO-LLVKDONJSA-N 279.767 3.616 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)nc1C 1336219974 YCDXDIGUJLNFAC-GFCCVEGCSA-N 278.783 3.614 30 20 CHED Cc1ccc(C(=O)Nc2sccc2C#N)c2ncccc12 1348026362 MJAUORUTLWKNHE-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC(C)c1ccsc1C(=O)[C@@H](C#N)c1cccc(F)n1 1342636603 HCFDLJLXJCRNPB-NSHDSACASA-N 288.347 3.896 30 20 CHED CCSc1cccc(NC(=O)c2csc(C#N)c2)c1 1265243827 HEURKBXMAHSLSN-UHFFFAOYSA-N 288.397 3.984 30 20 CHED C=C(CC)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 1347364252 OAJHHGUAGRDYFY-UHFFFAOYSA-N 270.332 3.863 30 20 CHED Cc1ccccc1C(F)(F)C(=O)N[C@@](C)(C#N)C(C)(C)C 1342653590 MDEBXTGOGPQYJJ-HNNXBMFYSA-N 294.345 3.531 30 20 CHED Cc1cc(F)ccc1NC(=O)[C@@H](CC#N)c1ccccc1 1348664727 YODHREIUZXUKCV-HNNXBMFYSA-N 282.318 3.770 30 20 CHED C[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)c(F)c1 1344822986 ASESZAHYCHHVCL-GMXVVIOVSA-N 293.313 3.694 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1c(F)cccc1Cl 1347981816 ZFYVGZJEBIZYOA-SECBINFHSA-N 255.720 3.623 30 20 CHED Cc1sc(NC(=O)c2cccc(F)c2C)c(C#N)c1C 1348420082 VNJLSBIHBPLPAD-UHFFFAOYSA-N 288.347 3.936 30 20 CHED C=CCCCCCCCN[C@@H](C)[C@@H]1CCCOC1 810242669 GPMBUORSADTMFL-JKSUJKDBSA-N 253.430 3.918 30 20 CHED N#Cc1ccc(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1 1355396398 TZRWAAYJGIIPRG-OAHLLOKOSA-N 294.398 3.621 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)OCc2cc(C#N)ccc2F)C1 1435412890 OMLNYMCLNXKMSC-IMRBUKKESA-N 289.350 3.813 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C23CCC(CC2)CC3)n1 1523761165 OAWHOEFIDVGGRL-AVERBVTBSA-N 274.389 3.598 30 20 CHED Cc1cc(N(C)C[C@H](C)c2ccccc2)ncc1C#N 1458157171 MQKYCODTAXORCU-AWEZNQCLSA-N 265.360 3.502 30 20 CHED O=C(O)CCC[C@@H]1CCCC(=NOC/C=C/Cl)C1 1601979764 BPEHGRAGQYXOQW-ZLXBKLLCSA-N 273.760 3.557 30 20 CHED CC(C)(C#N)CCOc1c(Cl)cccc1CCC(=O)O 1603230312 JLSQRNXFRYVIKN-UHFFFAOYSA-N 295.766 3.676 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1cccc(C#N)c1 1539601997 GTVITOWRTKIBMA-KRWDZBQOSA-N 276.339 3.665 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1F)C(C)(C)c1ccccc1 1612138643 FTYADLVWWNGEHX-GFCCVEGCSA-N 283.350 3.871 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 1565812390 VEUDBCRYJWMULF-CMPLNLGQSA-N 292.329 3.535 30 20 CHED Cc1ccccc1[C@@H](N=c1cc[nH]c(C#N)c1)C(C)(C)C 1639650944 QFTGAPNXBOTFOR-QGZVFWFLSA-N 279.387 3.883 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1sccc1C#N 1663159715 PQOHWFGPKDTJHX-ZJUUUORDSA-N 265.382 3.566 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(C#N)c1 1595726547 MJTXTPBGHVCMNM-TZMCWYRMSA-N 288.366 3.644 30 20 CHED Cc1ccc2c(CC(=O)Nc3ccc(C#N)cc3)coc2c1 14908258 BMXGCWBUOIUUED-UHFFFAOYSA-N 290.322 3.794 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cnc(Cl)s2)n1 150934181 KPSWVVPICCDNMA-UHFFFAOYSA-N 295.820 3.972 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(Cl)c(C(F)(F)F)c1 158253127 PKBIPPNHACKQMU-MRVPVSSYSA-N 291.656 3.818 30 20 CHED CC(=O)c1ccc(C)cc1OCc1ccc(C#N)cc1C 165696797 WBADIPFVRPQSOC-UHFFFAOYSA-N 279.339 3.957 30 20 CHED CC#CCCSc1nnc(-c2ccc(C)c(C)c2)o1 155042432 HUPKYJKQEPXWBI-UHFFFAOYSA-N 272.373 3.859 30 20 CHED CC[C@@H](C#N)NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 157988903 GIIRIWZZVQGELB-BBRMVZONSA-N 272.392 3.722 30 20 CHED N#Cc1cccc(NC(=O)c2nc(Cl)sc2Cl)c1 816834968 MRQJUPPISKOJRL-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CC(C)Oc1ccc(Br)cc1N[C@H](C)C#N 135063904 PHYHMJHEPTVYIA-SECBINFHSA-N 283.169 3.560 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1cccc(F)c1 166518861 FJLMNKFWRXDVLM-KRWDZBQOSA-N 268.335 3.938 30 20 CHED C[C@@H]1CC[C@H](Nc2ccc(OCC#N)cc2)C[C@H]1C 252000841 ZXJOSSXNMJTHTN-NFAWXSAZSA-N 258.365 3.826 30 20 CHED N#C[C@H](C(=O)c1csc2c1CCCC2)c1ccccn1 46705971 WRKZJOYTMHHJKB-LBPRGKRZSA-N 282.368 3.512 30 20 CHED C=CCCC[C@H](C)NC(=O)c1nc(Cl)ccc1Cl 179783598 GSNZJAHBQIWELG-VIFPVBQESA-N 287.190 3.863 30 20 CHED C[C@@H](CC(C)(C)O)Nc1ccc(C#N)c(C(F)(F)F)c1 295035815 SHDLPIRSKIYFMA-VIFPVBQESA-N 286.297 3.538 30 20 CHED CCCCCCCNc1cc(S(C)(=O)=O)ccc1F 59456386 BDOZEDVSZQOURW-UHFFFAOYSA-N 287.400 3.612 30 20 CHED Cc1ccc(C[C@H](C)NCc2ccc(C#N)c(F)c2)s1 404270491 ZAAZAMNXBLRPBY-NSHDSACASA-N 288.391 3.788 30 20 CHED CC(C)O[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 404697044 SWGXECDBUCHBMI-CQSZACIVSA-N 278.783 3.605 30 20 CHED C[C@H]1CCN(Cc2ccc(Br)cc2C#N)[C@@H]1C 347048283 HTOBRBCTBFIXLX-WDEREUQCSA-N 293.208 3.551 30 20 CHED Cc1ccc(NC(=O)Nc2cccc(CC#N)c2)cc1 313448028 OVAODPYXAUFFMX-UHFFFAOYSA-N 265.316 3.705 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NOCc2ccccc2)o1 839423803 VUZVXHFWBPTLEC-WFASDCNBSA-N 255.317 3.954 30 20 CHED Fc1cc(F)c(C=NOCc2ccccc2)cc1F 767767299 HEOWLYYZWZWAKA-UHFFFAOYSA-N 265.234 3.655 30 20 CHED N#Cc1ccc(OCCCNc2cc(F)cc(F)c2)cc1 59799399 VOEKTMPATQNGDO-UHFFFAOYSA-N 288.297 3.717 30 20 CHED C[C@H]1Cc2ccccc2N(C(=O)C2(C#N)CCCCC2)C1 105378202 UMQVMJCJIGMRBX-AWEZNQCLSA-N 282.387 3.686 30 20 CHED C=CCN(Cc1ccccc1O)Cc1ccccc1F 179562848 XUPRNFWRXZEHBU-UHFFFAOYSA-N 271.335 3.720 30 20 CHED C#Cc1cccc(N(C)C(=O)CSc2ccc(F)cc2)c1 103033837 YRXDUVRYPBSOMY-UHFFFAOYSA-N 299.370 3.562 30 20 CHED C#CCCCNCc1csc(-c2ccc(C)cc2)n1 174611054 DDALOGBJCBPKMO-UHFFFAOYSA-N 270.401 3.622 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1Br 116995828 VMGYDQFMQGFZMP-SECBINFHSA-N 283.169 3.535 30 20 CHED Cc1cccn2cc(CSc3cccc(C#N)c3)nc12 177101788 TVTNWQSAHZXMRR-UHFFFAOYSA-N 279.368 3.807 30 20 CHED O=C1/C(=C/c2cccc(O)c2)CCc2cc(F)ccc21 176940877 DDOYDSHIEUFBKK-MDWZMJQESA-N 268.287 3.744 30 20 CHED CCC[C@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 179739898 TUMVQRNLYOWKJV-HNNXBMFYSA-N 294.354 3.786 30 20 CHED COc1ccccc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 20096739 YDGIVMQZINCBDV-KGLIPLIRSA-N 280.371 3.979 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)c1cc(C#N)cs1 177427268 FUXZSKYEVVDMFX-SECBINFHSA-N 276.386 3.514 30 20 CHED CCCN(CCCCC#N)[C@H]1CCc2ccccc2C1 60366489 FVTCENQJODILGO-SFHVURJKSA-N 270.420 3.950 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1cccnc1 112183933 UJKOCLOMGOTJDG-ZWKOTPCHSA-N 298.430 3.780 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCCc1ccc(F)cc1 1265677522 BXSFONUMTRNBLU-UHFFFAOYSA-N 296.345 3.967 30 20 CHED C=C(Br)CN(CC)[C@H](C)c1cccc(O)c1 178374311 KPTKIPUJMHDESB-LLVKDONJSA-N 284.197 3.684 30 20 CHED COc1cccc([C@H](C)C(=O)Nc2cccc(C#N)c2C)c1 178633073 JYTHLHGBNXLNDW-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C#N)cs2)cc1 176836315 HXICKIBHWJECJS-VOTSOKGWSA-N 253.326 3.824 30 20 CHED CC(C)(C(=O)OCc1cccc(C#N)c1)c1ccccc1 24810534 YASWNSKMTPHBJC-UHFFFAOYSA-N 279.339 3.579 30 20 CHED COc1ccc2sc(C(=O)OCCCC#N)c(C)c2c1 173515757 NGUXJKBCNBOJON-UHFFFAOYSA-N 289.356 3.679 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(c2cccc(F)c2C#N)C1 302121582 GIVGTJKNBACACM-YVEFUNNKSA-N 281.334 3.680 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1 1262654975 YEQDUHPTYFAAQX-CQSZACIVSA-N 288.778 3.782 30 20 CHED N#Cc1cccc(Cl)c1NCCC[C@H]1CCCCO1 302220110 LWMUEEWUFYWPJP-CYBMUJFWSA-N 278.783 3.973 30 20 CHED C[C@@H]1CC[C@@H](NCCSCc2ccccc2C#N)C1 174248042 MYFPSPHISOGZQM-CZUORRHYSA-N 274.433 3.570 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OC(F)F)cc1 171504788 HJOJWBNLRKQPGN-UHFFFAOYSA-N 284.306 3.718 30 20 CHED C=CCn1c(SCCC(=O)CC)nc2ccccc21 117546520 IAJLTHYNTHGEQM-UHFFFAOYSA-N 274.389 3.684 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 307966155 RGOCAFBXNYXEKT-UHFFFAOYSA-N 282.318 3.614 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)n1 1340857330 MTZILMFBKRACRJ-NSHDSACASA-N 298.308 3.671 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC[C@H](C)C1 35253276 VVFPLSYZGWDJKC-HOCLYGCPSA-N 259.393 3.920 30 20 CHED Cc1ccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2O)s1 122226752 UTOZQMHPPBGMMH-CYANDVJASA-N 290.344 3.850 30 20 CHED COCCC(C)(C)CNc1c(Cl)cccc1C#N 302175630 WWIHISRMDJJDMS-UHFFFAOYSA-N 266.772 3.686 30 20 CHED N#CCOc1cccc(CNCc2cc3ccccc3o2)c1 125857528 FTTLUGUISWJYHY-UHFFFAOYSA-N 292.338 3.625 30 20 CHED C=CCN(C)C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 189438292 HVUJBILXGINZPW-ZHACJKMWSA-N 283.293 3.753 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(F)ccc1NC(C)C 74255449 VBYJLKMAKBFYKE-LBPRGKRZSA-N 294.370 3.566 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1c1ccco1 121329734 AOKPCQNQFGCINW-ZIAGYGMSSA-N 287.384 3.659 30 20 CHED C#CCCCCNC(=O)Nc1ccc2occ(C)c2c1 187988913 BHRODURGSZRSOB-UHFFFAOYSA-N 270.332 3.666 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(C)ccc1O 500468364 YWEMWDLZVYYISV-UHFFFAOYSA-N 287.384 3.591 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)C(C1CC1)C1CC1 186894669 XJBZKNSRESEALD-UHFFFAOYSA-N 274.795 3.832 30 20 CHED N#Cc1ccc(CNC2(Cc3cccc(F)c3)CCC2)o1 185230986 FTLMNQBUEJEQNF-UHFFFAOYSA-N 284.334 3.545 30 20 CHED C[C@H](NC[C@H]1CCOc2ccccc21)c1cccc(C#N)c1 181728881 VJEPOSPBPRXVKC-WMLDXEAASA-N 292.382 3.775 30 20 CHED CCCN(CCCSCC#N)CCc1cccc(F)c1 74990930 HSPJFDJYBHDNBQ-UHFFFAOYSA-N 294.439 3.727 30 20 CHED C=CCOCCSCc1coc(-c2cccs2)n1 419370658 BTYFZDNQFYPJII-UHFFFAOYSA-N 281.402 3.839 30 20 CHED N#Cc1ccc([C@H](O)CN(CC2CC2)c2ccccc2)cc1 129575919 CBJVGXFSUZNRMP-LJQANCHMSA-N 292.382 3.508 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H](C)C1 505151099 NLLVEZCFYINVPB-WBVHZDCISA-N 286.419 3.963 30 20 CHED C=CCOCCCC(=O)Nc1cc(F)ccc1NC(C)C 74256388 DXHMWNUDWMRCNJ-UHFFFAOYSA-N 294.370 3.567 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 181001820 SPXYNZZVWOSSNL-INIZCTEOSA-N 290.382 3.884 30 20 CHED CCCCCN(CCCOC)Cc1cccc(C#N)c1 505823090 BWHFOWMROPICFU-UHFFFAOYSA-N 274.408 3.587 30 20 CHED C=C(C)CN(C)C(=O)NCCCSc1ccc(F)cc1 180280558 ZFTPELPIQZNDAH-UHFFFAOYSA-N 296.411 3.525 30 20 CHED CCn1c(SCCCSCC#N)nc2ccccc21 75075265 DAWRMUVPIJNJPC-UHFFFAOYSA-N 291.445 3.795 30 20 CHED Cc1cc2occ(C(=O)O[C@H]3CC[C@H](C#N)C3)c2cc1C 187537871 UNWDSKWCFYUCPD-STQMWFEESA-N 283.327 3.899 30 20 CHED C=CCC1(C(=O)Nc2ccn(CCC(C)C)n2)CCC1 189494532 URINSJXUQSURGB-UHFFFAOYSA-N 275.396 3.614 30 20 CHED CC(=O)c1ccc(F)cc1OCc1cc(F)ccc1C#N 122505339 BIUOCKIXNNBHPY-UHFFFAOYSA-N 287.265 3.618 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1c(C)cccc1C 181756998 IIWDYULSYUGBLL-UHFFFAOYSA-N 286.419 3.825 30 20 CHED C=C(C)[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccc(F)c(F)c1 187059821 BBKBUFAXACFZOX-BONVTDFDSA-N 294.345 3.680 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1cccc2ccccc12 181665669 BSYMEDMXZXJRLA-HOCLYGCPSA-N 269.388 3.818 30 20 CHED CCCCC[S@](=O)CCC1(C#N)CCCCC1 414241327 GBXXHGOOPVRBJN-KRWDZBQOSA-N 255.427 3.789 30 20 CHED CC[C@@H](COc1ccc(C#N)c2ccccc12)OC 419059349 XOQQSAXROPVLJX-ZDUSSCGKSA-N 255.317 3.515 30 20 CHED CCCCCCCCNCc1c(C)nn(C)c1Cl 131106837 VTLFXPDLKBIGPJ-UHFFFAOYSA-N 271.836 3.832 30 20 CHED CCn1c(SCCCC#N)nnc1-c1cccc(C)c1 78434802 IAVWRKLDPDDIJV-UHFFFAOYSA-N 286.404 3.669 30 20 CHED N#CCCN(Cc1ccc(Cl)c(F)c1)Cc1ccco1 159543635 JLWFGGNOWAAHNS-UHFFFAOYSA-N 292.741 3.988 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)cc2)c(F)c1 229910002 YSGHFUPKLPBQOZ-WTKPLQERSA-N 274.266 3.870 30 20 CHED CCCCOCCCNc1ccc(C#N)c(Cl)c1 134506779 DVRJGVMQNYDJAI-UHFFFAOYSA-N 266.772 3.830 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 134010810 BDQXMMVJKTWNFZ-IUODEOHRSA-N 291.341 3.705 30 20 CHED Cc1ccc([C@H](C)NCc2ccccc2C#N)cc1 49556822 DZBXEAIDBNAAMA-AWEZNQCLSA-N 250.345 3.718 30 20 CHED C=C(C)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 509036960 ZGKFIBQHQLSCAS-UHFFFAOYSA-N 260.337 3.525 30 20 CHED Cc1cccc(C[C@H](NCC(C)(C)CC#N)C2CC2)c1 414173367 WXMPORVTWABDME-KRWDZBQOSA-N 270.420 3.846 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C)c(C)c2)cc1 49893795 JIFKYPRXLPIOFP-GOSISDBHSA-N 292.382 3.861 30 20 CHED Cc1nc(C)c(C#N)c(SCc2cc(C)sc2C)n1 194323214 FDKLGQXVKCJFDM-UHFFFAOYSA-N 289.429 3.936 30 20 CHED Cc1ccc(C(C)(C)/N=C(/O)[C@@H]2CCC(=O)C[C@@H]2C)cn1 329789947 SSZXRQXPHMVJPP-XHDPSFHLSA-N 288.391 3.587 30 20 CHED CCCOc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 193090785 HVVUNJVWEBFHHB-ZIAGYGMSSA-N 258.365 3.970 30 20 CHED C=C[C@@H](CC(=O)N1CCCC(C)(C)C1)c1ccccc1 134551456 DMJZFGWCCIMRNL-HNNXBMFYSA-N 271.404 3.995 30 20 CHED C[C@@H]1CCC[C@@H](N(C)CCCOc2ccc(C#N)cc2)C1 48068975 CXOQJLSSMLBFBE-NVXWUHKLSA-N 286.419 3.838 30 20 CHED Cn1c(N=C(O)CCC2CCCCC2)nc2cccnc21 329912618 OJSPAFGNGRCGBS-UHFFFAOYSA-N 286.379 3.917 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnn(C(C)(C)C)c1 425367864 VKZJLVDURSFUNR-AWEZNQCLSA-N 296.418 3.703 30 20 CHED N#CCC[C@H](NCc1cccc2c1OCO2)c1ccccc1 130429414 IGZAHHCNVXWVGG-INIZCTEOSA-N 294.354 3.550 30 20 CHED C=C(C)COC(=O)c1ccc(SC(C)C)cc1 195682013 JQPZRBKCQDDNAT-UHFFFAOYSA-N 250.363 3.920 30 20 CHED COCC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C(C)(C)C 511002292 VDYBLMFAAICBTH-MLGOLLRUSA-N 292.398 3.799 30 20 CHED C=CCN(C)C(=O)Nc1cc(Br)c(C)cc1C 429587893 HBWKJPLMYIGRBR-UHFFFAOYSA-N 297.196 3.716 30 20 CHED C[C@@H]1CCCCN1Cc1ccccc1C(C)(C)C#N 135096341 WWYAVBRTVJKKLW-CQSZACIVSA-N 256.393 3.862 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@](C)(OC)c1ccccc1F 190602493 CVVHZRSRTOEHJL-SUMWQHHRSA-N 293.382 3.548 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1cc(F)ccc1OC 424601024 KLMXRUDKDNUCTF-LLVKDONJSA-N 279.355 3.614 30 20 CHED C[C@H](NCCCN(C)C1CCCCC1)c1ccc(C#N)cc1 193435421 KVVYKFBCOGIDBD-INIZCTEOSA-N 299.462 3.863 30 20 CHED C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)CCS1 192185000 ZAKYHFWVQZHBAF-CYBMUJFWSA-N 279.836 3.519 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1cccc(F)c1F 424761148 JDJGLOBOJVLIBN-SNVBAGLBSA-N 267.319 3.744 30 20 CHED CC[C@@H](NC(=O)NCc1cccc(C#N)c1)c1ccccc1 338316958 SEITUUMYKGANDE-QGZVFWFLSA-N 293.370 3.509 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccccc1OC1CCCC1 193060168 SVHAFWDFZWZQFA-ZHACJKMWSA-N 296.370 3.638 30 20 CHED CC(C)C(C/N=C(/O)c1ncc(C#N)cc1Cl)C(C)C 331326187 OTIFMJDQJWDJHY-UHFFFAOYSA-N 293.798 3.839 30 20 CHED C=CCC1(c2nc([C@@H]3CCCC[C@@H]3C)no2)CCOCC1 424348587 PGICYJWKOPEFBZ-UONOGXRCSA-N 290.407 3.988 30 20 CHED C[C@H](Nc1ccncc1Cl)c1ccc(C#N)cc1 94266960 VNXFLENLNNRSPO-JTQLQIEISA-N 257.724 3.780 30 20 CHED Cc1ocnc1CNc1c(C#N)cnc2ccc(Cl)cc12 92689643 AGIIOLRSDGYUHR-UHFFFAOYSA-N 298.733 3.668 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)s1 334943817 ITRIULWODWAYRE-OAHLLOKOSA-N 272.348 3.536 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(C(F)F)no1 425490429 YVRNAIJHHPQNHD-UHFFFAOYSA-N 293.317 3.586 30 20 CHED Cc1cc(N(C)CC2CC2)n2c(nc3ccccc32)c1C#N 519966064 XYUGHOVGJXEMEM-UHFFFAOYSA-N 290.370 3.514 30 20 CHED N#Cc1ccc2nc(NCC3(O)CCCCCC3)ccc2c1 92913675 DSOYSZOZTNEWKV-UHFFFAOYSA-N 295.386 3.604 30 20 CHED Cc1ccc(CN(CCC#N)CC(C)(C)C)s1 93101140 KUJKMXBGUNPYCW-UHFFFAOYSA-N 250.411 3.818 30 20 CHED CN(C(=O)NCC1(C#N)CCC1)[C@@H]1CCC[C@H]1C(C)(C)C 331577019 ZJFDLKQTYHGUGJ-ZIAGYGMSSA-N 291.439 3.536 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)[C@@]1(C#N)CC12CCCC2 333259596 AVSCGFLKYJWQMS-SFHVURJKSA-N 293.370 3.889 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@H](CC(C)C)C1 337861803 NRIWUNYQVXKRJZ-CQSZACIVSA-N 288.439 3.604 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CC1CCC(C)(C)CC1 437489210 GODQQVRODXOABX-WBVHZDCISA-N 293.451 3.690 30 20 CHED CC(C)N(Cc1cccc(OCCCC#N)c1)CC(F)F 92045187 NDPWDFBRVLOEJR-UHFFFAOYSA-N 296.361 3.845 30 20 CHED N#CC1(F)CCN(CCCc2ccccc2Cl)CC1 510952074 YINVPJVWOINSAR-UHFFFAOYSA-N 280.774 3.600 30 20 CHED C[C@H](N[C@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)c(F)c1 337555518 RCLXHTUTOWPRNZ-QCZZGDTMSA-N 298.308 3.508 30 20 CHED CSc1ccc(C)c(NC(=O)c2ccc(C#N)c(O)c2)c1 336171276 YCUNYIOLSDONRM-UHFFFAOYSA-N 298.367 3.547 30 20 CHED CCN(Cc1ccc(OCC(C)C)cc1)C[C@@H](C)C#N 91982992 OUUFWJSGHISMLR-HNNXBMFYSA-N 274.408 3.703 30 20 CHED Cc1csc(C(C)(C)NCc2ccc(CC#N)cc2)n1 343417473 KMMQCAVGYDMMQJ-UHFFFAOYSA-N 285.416 3.543 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 430993966 QVTLHMOKNPEOED-OAUYIBNBSA-N 280.371 3.569 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)c1ccnc(C#N)c1 341744773 PIECUZPLDKVMPD-GFCCVEGCSA-N 277.327 3.897 30 20 CHED N#CC1(N(C(=O)c2ccc(C(F)F)cc2)C2CC2)CCC1 341585865 NXSRIDFEZRVWJH-UHFFFAOYSA-N 290.313 3.675 30 20 CHED C=CCCCCN[C@H](C)c1sc(CCOC)nc1C 349312729 MPOOGLYOAAQMKR-GFCCVEGCSA-N 282.453 3.647 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1coc(C)c1 347875263 NGZHDWSQDXRQPU-UHFFFAOYSA-N 269.344 3.807 30 20 CHED Cc1nsc(N[C@@H](C)c2ccc(Cl)cn2)c1C#N 436776406 VASFNNUJYCBMBD-QMMMGPOBSA-N 278.768 3.545 30 20 CHED CSc1ccc([C@H](C)Nc2cccc(C#N)n2)cc1 341286614 ZSTASFKKGWMHDF-NSHDSACASA-N 269.373 3.848 30 20 CHED CCO[C@H](CC(=O)Nc1sc(CC)cc1C#N)C(C)C 348574878 HHCAGFZLDAETDV-CYBMUJFWSA-N 294.420 3.572 30 20 CHED Cc1nsc(NC[C@H]2CCO[C@H]2c2ccccc2)c1C#N 343023388 HNAAJEXGIZQFIV-HIFRSBDPSA-N 299.399 3.513 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1nccn1-c1ccccc1 348331888 WOBFSZZXNZFXGL-HUUCEWRRSA-N 269.392 3.878 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1c1nc(C2CCC(C)CC2)no1 346246970 FWZVTJDQLBQDKW-PQAZSJQKSA-N 276.380 3.812 30 20 CHED C[C@@H](C#N)C(=O)Nc1nc2ccccc2n1C1CCCCC1 345790138 TYZVFJRWMVQTGE-LBPRGKRZSA-N 296.374 3.640 30 20 CHED CSC1CCN(CCC2(C#N)CCCCC2)CC1 602920876 NZTYMYBGTJZSEP-UHFFFAOYSA-N 266.454 3.678 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 432271776 RXFDMWJKOLWHMZ-ATCWAGBWSA-N 285.391 3.813 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H]1CCC[C@H](C)C1 347295764 CHKPUUPYSBNMPP-BBRMVZONSA-N 272.392 3.577 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@@H](C)C1CCCCC1 608814510 GMFCXHVFZRLQKA-CQSZACIVSA-N 264.413 3.744 30 20 CHED COc1cc2ccccc2cc1CN(C)[C@@H](C)CC#N 449021099 BQINDUWIADZCJW-ZDUSSCGKSA-N 268.360 3.582 30 20 CHED C[C@H]1C[C@H](CCNC2CCC(C)(C#N)CC2)C[C@@H](C)O1 449313838 PNXXSPFPGIGMFP-FWTFNCGHSA-N 278.440 3.642 30 20 CHED N#CC(CCSCCO)(c1ccccc1)c1ccccc1 603309372 MHGPTZIBZNKJEV-UHFFFAOYSA-N 297.423 3.612 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 604900858 SINLIYHSOFJPCU-ZENOOKHLSA-N 264.413 3.561 30 20 CHED C=C(C)CN(C)Cc1ccccc1OCc1ccncc1 353176284 VSQQOWJLGMFVRG-UHFFFAOYSA-N 282.387 3.669 30 20 CHED COc1cc(CNc2cccc3cccnc23)ccc1C#N 440804174 NGTKQKOYBLMFPQ-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C[C@@H](c1cccc(F)c1)N(C)Cc1ccc(C#N)cc1 532899635 ZFWIZEHNSFDDAA-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)[C@@H](c1ccccc1)N(C)C 449253722 ZOVDWWANJPQVQB-BARLLCKDSA-N 299.462 3.740 30 20 CHED CCc1nc([C@H](C)NC2CCC(C)(C#N)CC2)cs1 449159318 ZFVXHSFTEWQGGA-BZUNDVKYSA-N 277.437 3.829 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCC(F)(F)C1 359726059 ZQIGBZWSQWGUMT-CYBMUJFWSA-N 286.366 3.600 30 20 CHED C=C(C)CCNC1CCN([C@H]2CCC[C@@H](C)C2)CC1 449480775 ZPDWINOLCCIGOB-WBVHZDCISA-N 264.457 3.585 30 20 CHED N#Cc1cccc(CN2Cc3ccccc3C3(CCC3)C2)c1 352364268 ZVXPLWISLSAHMV-UHFFFAOYSA-N 288.394 3.996 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 446821530 PUNYSIILSCKXKJ-CFAJVAMVSA-N 290.382 3.574 30 20 CHED C=C(C)COc1cccc(NC(=O)NC(C)(C)C2CC2)c1 536581845 ZJCGDMYUZYAGMQ-UHFFFAOYSA-N 288.391 3.952 30 20 CHED N#Cc1ccc(CNCCCCOc2ccccc2)c(F)c1 610946725 DAHGGAARGNMPMX-UHFFFAOYSA-N 298.361 3.646 30 20 CHED C[C@@H](CCc1ccc(F)cc1F)NCC1(CC#N)CC1 353584667 JKBLMSIDRDFEEI-LBPRGKRZSA-N 278.346 3.569 30 20 CHED CC(C)N(CCN(C)[C@@H](C)c1cccc(C#N)c1)C(C)C 442897855 NILNZDDZINBPJM-INIZCTEOSA-N 287.451 3.670 30 20 CHED Cc1cc(=N[C@@H]2CCc3cc(C#N)ccc32)c2ccccc2[nH]1 618693928 UJQPCHIZVZMFJZ-LJQANCHMSA-N 299.377 3.936 30 20 CHED C=CCC(CC=C)C(=O)NCCc1c[nH]c2cc(C)ccc12 268250746 ZMQNFYMBCWIZTM-UHFFFAOYSA-N 296.414 3.903 30 20 CHED C[C@H]1CCCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 356815848 CVHCGLZFMBWKIV-RDJZCZTQSA-N 284.403 3.723 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/Cc2ccccn2)cc1 263113433 FGQUWHGJLMAQKT-ZDUSSCGKSA-N 282.391 3.522 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 352613150 UWONRWXSHWZHIL-YSVLISHTSA-N 254.377 3.654 30 20 CHED C=CCN(C(=O)[C@H](C)Sc1ccccc1Cl)C1CC1 537934662 XVLDZQJKOBUQEI-NSHDSACASA-N 295.835 3.998 30 20 CHED CC(C)(C#N)c1ccccc1COc1cccc(CO)c1 268995374 WFDNMLHFWCCIPD-UHFFFAOYSA-N 281.355 3.559 30 20 CHED C=CCSc1ccccc1C(=O)NCc1cncc(C)c1 362400946 GQVGPTQXBIMORY-UHFFFAOYSA-N 298.411 3.598 30 20 CHED C=CCCC[C@@H](C)NC(=O)COC/C=C\c1ccccc1 538334062 PIKSVUCVUICYCS-RCBBPTIPSA-N 287.403 3.577 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H](C)c2c(C)noc2C)c1 456974643 XSQGGKIESNDPKW-NSHDSACASA-N 297.358 3.604 30 20 CHED C=CCCSc1nnc(-c2cccs2)n1CC=C 532273102 PUGTXUJFLAJMQV-UHFFFAOYSA-N 277.418 3.861 30 20 CHED CCc1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1C 455048913 BAAXQWMQSWUPAY-UHFFFAOYSA-N 273.380 3.571 30 20 CHED C=CCCNC(=O)C(C)(C)Cc1ccc(Cl)cc1 617611053 KQXBEANWOYGOPJ-UHFFFAOYSA-N 265.784 3.601 30 20 CHED N#CC1(CN[C@@H](c2ccccc2)C2CCC2)CCC1 450549220 BAZJERFIUKJMLB-INIZCTEOSA-N 254.377 3.811 30 20 CHED C=CCn1c(SCC[C@H]2CCOC2)nc2ccccc21 450612366 RBORWSPVOVAUSC-CYBMUJFWSA-N 288.416 3.741 30 20 CHED C[C@]1(C#N)CCCN(Cc2csc(-c3ccccc3)n2)C1 612161791 INMOFUSBABLZIV-QGZVFWFLSA-N 297.427 3.936 30 20 CHED CCc1ccc(CN=c2[nH]cc(Cl)c(C)c2C#N)s1 541279882 AZGBRLXUNULJIW-UHFFFAOYSA-N 291.807 3.573 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1F 362298119 SQZJKEJGGLHPJY-GJZGRUSLSA-N 298.292 3.579 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](CC)c1ccc(OC)cc1 459884925 OCMAOHZMSSXDIP-OAHLLOKOSA-N 275.392 3.865 30 20 CHED CC(C)C[C@@H]1C[C@H](Nc2snc(Cl)c2C#N)CCO1 271915200 BRPIBAJBHMJBEL-NXEZZACHSA-N 299.827 3.674 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCC[C@H](OC)C2)CCCCC1 456376017 YUUUPEMWTZSIHQ-CABCVRRESA-N 279.424 3.587 30 20 CHED CC(C)(C#N)CCCCN1CCCN(C2CCCC2)CC1 365440286 BFOQNRCWJLNBKG-UHFFFAOYSA-N 291.483 3.657 30 20 CHED C=CCCC(C)(C)NC(=O)c1oc2c(c1C)C(=O)CCC2 620863131 GSJZJJZKEOSMKQ-UHFFFAOYSA-N 289.375 3.582 30 20 CHED C=CCN(C(=O)N[C@H](C)[C@H](C)c1ccccc1)C1CC1 271358865 FFCPVNFHVCJBFH-UONOGXRCSA-N 272.392 3.539 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 278665671 CCGYVENXBWGOAI-BBRMVZONSA-N 297.402 3.554 30 20 CHED C=C(C)CCNC(=O)c1cc(F)c(C(F)(F)F)cc1F 452715535 DEHHTLBCZRCEJH-UHFFFAOYSA-N 293.235 3.680 30 20 CHED C=CCN(Cc1nc2cc(C)ccc2s1)[C@H](C)COC 625531179 YWPPCAJAZZHRTO-CYBMUJFWSA-N 290.432 3.628 30 20 CHED C=CCN(CC=C)c1ncnc2ccc(SC)cc12 360842101 LTDBLSZBVIETSM-UHFFFAOYSA-N 271.389 3.530 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCC(C)(C)C1 549676578 VMQOJELSRHBZTK-CQSZACIVSA-N 290.455 3.994 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)c1ccc(C)cc1)OCC 270037291 NGZHCRUSNCKLGI-HOCLYGCPSA-N 275.392 3.544 30 20 CHED C=CCC(C)(C)c1nc(CC2CC(F)(F)C2)no1 453360541 OONDLWJGIHUNLI-UHFFFAOYSA-N 256.296 3.511 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H](c2ccccc2)CC1 455313443 QCEBAVAXQBEKFW-QGZVFWFLSA-N 286.419 3.932 30 20 CHED N#CCCC[S@@](=O)Cc1nc(C2CCCCC2)cs1 277528797 DGTCJTGVRBXEKI-LJQANCHMSA-N 296.461 3.743 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(OCC3CCCCC3)CC2)C1 549860620 PGEMPARJRZZDHV-IAGOWNOFSA-N 290.451 3.740 30 20 CHED C=CCCC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 378653117 WMVWBLXKTXVGNT-ZDUSSCGKSA-N 297.320 3.988 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC)Oc1ccccc1Cl 466533902 KYQPCOHVVQETCE-JSGCOSHPSA-N 295.810 3.968 30 20 CHED CC1(C)CCC(C(=O)N[C@](C)(C#N)C(C)(C)C)CC1 464167594 HYKSCECTDYUZCW-MRXNPFEDSA-N 264.413 3.647 30 20 CHED C=CCN(CCc1ccccc1)CCC1(OC)CCC1 555315412 GWNWTPNGKICHMN-UHFFFAOYSA-N 273.420 3.676 30 20 CHED C[C@H]1CC(NC2(c3cccc(C#N)c3)CC2)C[C@H](C)C1 556608285 MHZQWAOPMCFSAM-ZIAGYGMSSA-N 268.404 3.962 30 20 CHED C=CCCN[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC 556881345 OJTGQJDHLUXBPY-BRWVUGGUSA-N 259.393 3.503 30 20 CHED Cc1ccccc1O[C@@H](C)CNc1ccc(C#N)cc1F 463071374 QSBSGDZJQOBHOS-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED Cc1ccc(C2CC(NCC3(CC#N)CC3)C2)cc1 377395731 XMSJVTWTBHBYHI-UHFFFAOYSA-N 254.377 3.525 30 20 CHED CC(C)(C)c1cnc(SCC(=O)c2cccc(C#N)c2)[nH]1 631030877 UCNCSQGCNWXXGW-UHFFFAOYSA-N 299.399 3.554 30 20 CHED CC(C)c1ccc(CC2CCN(C(=O)[C@@H](C)C#N)CC2)cc1 462817532 HQRPOWHIMLNSQM-HNNXBMFYSA-N 298.430 3.751 30 20 CHED C=CCC[C@H](C)Nc1cnn(Cc2ccc(OC)cc2)c1 551811010 AWSXMHMXMCXUMI-AWEZNQCLSA-N 285.391 3.707 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 464397230 HSXQHQRMWXEAEJ-XNRPHZJLSA-N 284.403 3.711 30 20 CHED CC(C)c1ccc(CN(C)CC(C)(C)C#N)cc1[N+](=O)[O-] 552316952 VIMQIHXYYJTYAP-UHFFFAOYSA-N 289.379 3.700 30 20 CHED C=CCn1c(SCCCCCF)nnc1-c1ccco1 283866353 HUUYLVQPQHNWJX-UHFFFAOYSA-N 295.383 3.956 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(OC)c(OC)c1 553596255 QHSCYCXRKGBEPB-CQSZACIVSA-N 277.408 3.928 30 20 CHED CCC1(CC)CCN(C(=O)c2cc(C#N)oc2C)CC1 281010669 HDEDDNCKLVZFJG-UHFFFAOYSA-N 274.364 3.502 30 20 CHED CC1(C)[C@@H](NCCCCC#N)C[C@H]1Oc1ccccc1 284299632 KSLGPTUZIFOXHY-JKSUJKDBSA-N 272.392 3.516 30 20 CHED CC(C)(C#N)CCS[C@H]1CCc2ccccc2NC1=O 289482038 XKKDJRDIUANTHS-AWEZNQCLSA-N 288.416 3.613 30 20 CHED C=CCCCCNC(=O)N1CCCC[C@@H](SCC)C1 474088341 JZYSTNYPUSUDAA-CQSZACIVSA-N 284.469 3.660 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCCCCCF 550987603 QSPBLPUPGNRHID-UHFFFAOYSA-N 264.344 3.897 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)C(C)C 557608446 WYADYJCGVUBRPH-HNNXBMFYSA-N 291.439 3.661 30 20 CHED C=CCCCCNC(=O)[C@@H](C)c1cccc(Cl)c1 471674276 QJXIEKLJTMBUKJ-LBPRGKRZSA-N 265.784 3.916 30 20 CHED C=CCCCCNC(=O)C[C@H](C)Cc1cccc(F)c1 471704445 DUPAJUUFYSFYCX-CQSZACIVSA-N 277.383 3.867 30 20 CHED C=CCCCCN[C@H](C)CC(=O)Nc1ccc(C)cc1C 471604524 XPXSMBUHBKRWST-MRXNPFEDSA-N 288.435 3.966 30 20 CHED C=CCCCCNC(=O)c1c(Cl)ccc(F)c1C 476739353 AMWUWTNMBYNFMF-UHFFFAOYSA-N 269.747 3.874 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cccc(N2CCCCCC2)c1 806295650 RTFCCEQIFDUPHJ-OAHLLOKOSA-N 299.418 3.600 30 20 CHED N#CCCCC(=O)N(Cc1ccc(Cl)cc1)C1CC1 292614764 NCSGHDJWAHRFON-UHFFFAOYSA-N 276.767 3.525 30 20 CHED C#C[C@@H](C)N[C@@H](C)CCCOc1ccc(Cl)c(C)c1 809684117 OMHGLLUXEPEZFF-KGLIPLIRSA-N 279.811 3.807 30 20 CHED CC[C@](C)(C#N)C(=O)OCCCOc1c(C)cccc1C 803783407 WSOVMHXNNCKHCA-QGZVFWFLSA-N 289.375 3.555 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2cccnc2)cc1 808463835 YTOOHOZLZLHYCV-UHFFFAOYSA-N 280.327 3.616 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCCc1ccccc1Cl 805534859 MSWICKLVOSNXHZ-MRXNPFEDSA-N 296.794 3.655 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc2oc3ccccc3c2c1 806103383 PMYDBKBDEYOUOP-LLVKDONJSA-N 278.311 3.729 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1O[C@@H](C)C#N 295626083 AWALPLKLEGMADR-BFHYXJOUSA-N 286.375 3.742 30 20 CHED CCCC[C@H](C)C(=O)OCc1ccc(F)cc1C#N 800274827 RFLSHOOXPGPHGA-NSHDSACASA-N 263.312 3.567 30 20 CHED C=C(C)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 804225679 PQHYFAWCKAWPNN-UHFFFAOYSA-N 277.320 3.625 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(cnn2C(F)F)c1 649212166 IIDTZUKCNDDBAY-UHFFFAOYSA-N 279.290 3.582 30 20 CHED C=CC[C@H]1N(C(=O)c2n[nH]c3ccccc23)CCCC1(C)C 470292276 JDYMCBGZICLKFN-OAHLLOKOSA-N 297.402 3.770 30 20 CHED Cc1cn2nc(Oc3cc(C)c(C#N)c(C)c3C)sc2n1 561447166 RVNMEVWAXBSPIV-UHFFFAOYSA-N 298.371 3.688 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](C)c1ccccc1F 804831867 CNWWOGYJNLLVRO-HNNXBMFYSA-N 295.357 3.591 30 20 CHED Cc1ncsc1CON=Cc1ccccc1OC(C)C 809991208 AIXWVVOOGNGPJD-UHFFFAOYSA-N 290.388 3.789 30 20 CHED C=CC[C@H](C(=O)NCCSCC(C)C)c1ccccc1 489599688 OATKPXDIAYZDFS-INIZCTEOSA-N 291.460 3.852 30 20 CHED COc1ccc(C#N)cc1NCCCc1cccc(F)c1 486200941 YEUQFTLMAMIFGA-UHFFFAOYSA-N 284.334 3.751 30 20 CHED Cc1nc2scc(C)n2c1C=NNc1ccccc1F 812460440 SRGUSKZXHDFKTG-UHFFFAOYSA-N 288.351 3.598 30 20 CHED CC#CCCN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 482167539 WUBDPJGRXMKALP-CVEARBPZSA-N 261.796 3.979 30 20 CHED CO[C@@](C)(C=NNc1cc(Cl)nc(Cl)c1)C1CC1 819828977 XHWLBIPDTFQVHL-LBPRGKRZSA-N 288.178 3.601 30 20 CHED COc1cccc(O)c1/C=N/CCCCc1ccccc1 812412354 KYGKRNPMXBXVNH-XMHGGMMESA-N 283.371 3.843 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](C)c1cccc2ccccc12 811992548 JZVLVFHXKJSGBB-UKRRQHHQSA-N 280.371 3.612 30 20 CHED C#Cc1cccc(NC(=O)c2ccc3cc(C)ccc3n2)c1 814861960 DEJQBLSTJVICGJ-UHFFFAOYSA-N 286.334 3.777 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc(OC)c(O)c2)cc1 811698381 LCIBLPUJPSMFQB-UXBLZVDNSA-N 298.338 3.696 30 20 CHED CCc1ccc(C(=O)/C=C\c2cc(F)ccc2OC)o1 812243815 VDONLWOAUNKUBO-DAXSKMNVSA-N 274.291 3.886 30 20 CHED Cc1nsc(Sc2c(F)cc(F)cc2F)c1C#N 570880321 WLLPWTMRWGAVDT-UHFFFAOYSA-N 286.303 3.892 30 20 CHED N#Cc1ccc(C(=O)N[C@@H](C2CCC2)C2CC2)cc1Cl 576085044 OKFGEXASILPUGD-HNNXBMFYSA-N 288.778 3.520 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cn1 480784477 HACQZTHRYOHDRL-UKRRQHHQSA-N 281.334 3.841 30 20 CHED Fc1cccc(Cl)c1NN=Cc1nc2c(s1)CCC2 814904829 AQNTVVRLFZXYBH-UHFFFAOYSA-N 295.770 3.870 30 20 CHED C=CCCn1cc(CN(C(C)C)[C@@H](C)c2ccccc2)nn1 653693712 MEPSUCHGVHFBKW-INIZCTEOSA-N 298.434 3.826 30 20 CHED COc1cccc(NN=C2CCCC23CCCC3)n1 814900168 HFVUSFDMFBDHBF-UHFFFAOYSA-N 259.353 3.602 30 20 CHED CC[C@H](OC(=O)c1ncc(C#N)cc1C)c1ccccc1 815339413 LZWYIYYDIRFANB-HNNXBMFYSA-N 280.327 3.570 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@](C)(F)C1)c1ccccc1 489954327 KOLNDKOXNXBGKE-RDJZCZTQSA-N 275.367 3.697 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)c2ccccc21 481684025 LNADBJBOMXYLSI-NSHDSACASA-N 295.317 3.853 30 20 CHED COc1c(Cl)cc(Cl)cc1C=NOC1CCC1 812235647 LTSIGTRXQDYPIN-UHFFFAOYSA-N 274.147 3.905 30 20 CHED COc1cc(C)nc(NN=C(C)c2cccc(C3CC3)c2)n1 814862181 IJHZYXIIXZQWEI-UHFFFAOYSA-N 296.374 3.507 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)c1cc(C)cc(C)c1 577325680 BIVHXAXBFNKPJD-UHFFFAOYSA-N 282.391 3.726 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](C)c1nc2ccccc2o1 819346260 WHZYJTUPLYCAJE-GFCCVEGCSA-N 286.375 3.650 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1cccc2ccccc12 489487664 XAOSXKOZZIMUBS-MRXNPFEDSA-N 294.398 3.819 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(Cl)no2)CCCC1(C)C 822471913 CHKDHMVLAWPWIU-LLVKDONJSA-N 282.771 3.535 30 20 CHED C#Cc1cnc(N2CC[C@H](C)C[C@@H]2c2ccc(CC)o2)nc1 827702733 WBOPYIHIKPDQNV-XJKSGUPXSA-N 295.386 3.591 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N(C)C[C@H](C)C#N 499104808 ZWUOJDMLJBBWEK-UKRRQHHQSA-N 264.413 3.601 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2COc3ccccc32)CCCC1(C)C 573035202 YBDAAMQPUGSWCT-DOTOQJQBSA-N 299.414 3.756 30 20 CHED CC(C)CC[C@@H]1CC[C@@H](NCc2ccc(C#N)cn2)C1 824230761 BFKJUHKWSLKKSB-GDBMZVCRSA-N 271.408 3.648 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1sccc1C 490081491 AYSAASVBYAPRRO-CHWSQXEVSA-N 277.433 3.879 30 20 CHED C=C(C)CN(C)Cc1cnc(-c2ccsc2)s1 497153106 XJYPMUOVARWTHS-UHFFFAOYSA-N 264.419 3.880 30 20 CHED CC(C)C[C@@H](C)OC(=O)N[C@@H](C)c1ccc(C#N)cc1 829942461 KBDNXDPMQABLGO-OLZOCXBDSA-N 274.364 3.780 30 20 CHED C=CCCCCNC(=O)Nc1cccc(F)c1Cl 495354525 RYYLAHRQBVBXPS-UHFFFAOYSA-N 270.735 3.957 30 20 CHED C#Cc1cccc(N(C)C(=S)N[C@H](C)c2ccccc2)c1 728448154 KUMUPBGCWALOMY-CQSZACIVSA-N 294.423 3.740 30 20 CHED C=C(C)CN1CCC(NCc2ccc(SC)s2)CC1 584498942 NGHCIVUSSQKVHS-UHFFFAOYSA-N 296.505 3.600 30 20 CHED C#CCOc1ccc(NC(=O)c2cc(C)c(CC)s2)cc1 730980001 KVUWIIFLHFHPMK-UHFFFAOYSA-N 299.395 3.883 30 20 CHED C=CC[C@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 734986716 LXFMRGMLLFTLAG-QMMMGPOBSA-N 272.776 3.730 30 20 CHED N#Cc1csc(/C=C\c2scnc2C2CC2)n1 901544014 MGXXEHXERDIUBP-ARJAWSKDSA-N 259.359 3.519 30 20 CHED CC(C)C[C@@H](C)CN[C@H]1CCc2cc(C#N)ccc21 589176662 ZIPSMVIMCMROEY-DYVFJYSZSA-N 256.393 3.817 30 20 CHED C[C@H](NC(=O)c1sccc1C#N)[C@H](C)C1CCCCC1 490886812 UFVCIFGXYAOOGZ-RYUDHWBXSA-N 290.432 3.954 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](CC=C)C1 660990824 IDEGRPTUGIGAKQ-CABCVRRESA-N 264.413 3.729 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1sc(COCC)nc1C 835271110 YUEINHNFGMORPY-LLVKDONJSA-N 297.420 3.890 30 20 CHED C=CCCCCNc1cc(C(=O)NC2CC2)ccc1C 581590083 XSEHDHTXRVEAMU-UHFFFAOYSA-N 272.392 3.655 30 20 CHED C[C@H]1CCC(=NNc2cc(C(F)(F)F)ccn2)C1 834986102 RPAUTLYMLWOBKY-QMMMGPOBSA-N 257.259 3.688 30 20 CHED C=CCSCCNC(=O)N[C@](C)(CC)c1ccccc1 730902739 HZAOWUOYKFMFFU-MRXNPFEDSA-N 292.448 3.530 30 20 CHED N#CCSc1ccccc1C(=O)OCC1CC(F)(F)C1 835491184 GGEVYEMSPCMBBN-UHFFFAOYSA-N 297.326 3.504 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCCc2sccc21 588164377 KXAZKHKQVJPATE-CYBMUJFWSA-N 276.405 3.716 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1csc(Cl)c1 588558923 NAIFKDJOUWKWIM-IWQZZHSRSA-N 267.712 3.832 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1 734979837 UYQPUTVJJXLEMA-VURMDHGXSA-N 285.274 3.938 30 20 CHED C#CCN(CC)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 737516792 BTGNIAJKFQAVRR-GFCCVEGCSA-N 297.320 3.681 30 20 CHED C#CCO[C@@H](C)c1nc(-c2cc3cc(C)ccc3o2)no1 834722104 LRJRXZMCKXTAEO-NSHDSACASA-N 282.299 3.502 30 20 CHED C=C(C)CCN[C@H](C)c1cc(Br)ccc1O 834882689 SXQUGGLHYWLIFG-SNVBAGLBSA-N 284.197 3.772 30 20 CHED Cc1cccc(C)c1CCN[C@@H]1CCc2ccc(C#N)cc21 583901895 YTFBYHFUSNOENQ-HXUWFJFHSA-N 290.410 3.995 30 20 CHED C[C@H](C#N)COC(=O)C(C)(C)c1cccc2ccccc12 835237156 BMCBSORNCFLFTM-CYBMUJFWSA-N 281.355 3.820 30 20 CHED C=C(CNC(=O)NC[C@H](C)c1ccccc1)c1ccccc1 672683061 FBOVQZGJTSIUPU-INIZCTEOSA-N 294.398 3.803 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 837440122 VXDRNOCEVAYPEM-PJQXDXOGSA-N 287.790 3.567 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cc(C)ccc2C)cc1 916155920 NHQPVQFCOJHVMD-FLIBITNWSA-N 294.350 3.986 30 20 CHED COc1ccc(C/N=C\c2cc(Cl)ccc2O)cc1F 915111793 OUKYKPSWHOXNAA-NVMNQCDNSA-N 293.725 3.812 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2ccccn2)cc1 917550623 BRPHJHJYIYLXKZ-AWEZNQCLSA-N 267.376 3.890 30 20 CHED CCC(C[C@@H](C)CC)=NNC(=S)Nc1cccnc1 915944814 UQCCQQJVQBTLGV-NSHDSACASA-N 278.425 3.570 30 20 CHED C=C(C)CCNC(=O)c1oc2ccccc2c1CSC 590773876 IHVNNBBVRQFYEW-UHFFFAOYSA-N 289.400 3.992 30 20 CHED Cc1cc(C)c(/C=C2/CCc3c(cnn3C)C2=O)cc1C 915989094 XLFKPLARHWYPCB-ZROIWOOFSA-N 280.371 3.558 30 20 CHED C[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@H](c2ccsc2)O1 595344872 OCAVBUQLKUIPJQ-XOKHGSTOSA-N 298.411 3.775 30 20 CHED N#Cc1ccc(CCNC2(c3ccccc3)CCC2)cc1 595354268 RJPLAQVKYAZWNK-UHFFFAOYSA-N 276.383 3.770 30 20 CHED CC1(C)CCC[C@@H](C(=O)Oc2cccc(OCC#N)c2)C1 841345221 DTDCFSRKYHUBJK-CYBMUJFWSA-N 287.359 3.711 30 20 CHED C=CCOc1ccc(OC(=O)COc2ccc(C)cc2)cc1 742859992 HJFCMJZIKTXKTA-UHFFFAOYSA-N 298.338 3.544 30 20 CHED C[C@H](NC(=O)C1[C@H]2CCCCCC[C@H]12)c1ccc(C#N)cc1 596742657 WKEOLUNNDRZAKT-JQFCIGGWSA-N 296.414 3.952 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/Cc2cc3ccccc3o2)c1 915980003 WEGMVJLWNSDZOC-RQZCQDPDSA-N 296.282 3.666 30 20 CHED C#CCCCCC(=O)NCC1(c2ccccc2F)CCC1 844652672 NLYIZWQPKINRJG-UHFFFAOYSA-N 287.378 3.557 30 20 CHED CCCCCCCC(=O)OCc1noc(C(C)(C)C)n1 919223045 NFJWGYYFXXLOFP-UHFFFAOYSA-N 282.384 3.771 30 20 CHED C=CCN(C(=O)NCCc1ccc(Cl)s1)C(C)C 918075416 RVGYYWYJVNFMCX-UHFFFAOYSA-N 286.828 3.550 30 20 CHED CC1(c2ccccc2)CN(C(=O)CC2(C#N)CCCCC2)C1 598780716 LWBXZZPUSFDMPU-UHFFFAOYSA-N 296.414 3.651 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1ccc(C#N)cc1OC 849845836 GPEWCRAHGFPULJ-INIZCTEOSA-N 293.338 3.528 30 20 CHED N#CCCCCOC(=O)Cc1cc(Cl)ccc1Cl 748392667 ICPHELBNYORDEL-UHFFFAOYSA-N 286.158 3.773 30 20 CHED C=CCOc1ccc(OC(=O)CCc2ccsc2)cc1 742860291 ROBGUMYZJYGWCS-UHFFFAOYSA-N 288.368 3.851 30 20 CHED CCN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)[C@@H](C)C#N 598349215 KAGIRGSIFATGGT-QWRGUYRKSA-N 298.308 3.727 30 20 CHED Cc1ccccc1[C@@H](NC[C@H](O)CC(C)(C)C#N)C(C)C 598603019 ROROUAPXFPCOLZ-WBVHZDCISA-N 288.435 3.583 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCCCN1C(=O)CCC 919618347 ZQRMYIOFHMTBKW-HNNXBMFYSA-N 297.439 3.681 30 20 CHED CC(C)=CCCOC(=O)CSCc1ccc(C#N)cc1 849692291 IQAJJEZQNUSGKV-UHFFFAOYSA-N 289.400 3.691 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CSCc3ccccc32)c1 915934445 DLAIZQHJCWDYDK-UHFFFAOYSA-N 299.355 3.658 30 20 CHED CCC/C(C)=C/C(=O)N[C@@H](CCC#N)c1ccccc1 749045997 RZESPMBPKKITJB-VUSFMPOISA-N 270.376 3.894 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)C(C)(C)CCC 845526667 YSUCTJUDWZTVOM-HNNXBMFYSA-N 256.386 3.585 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)CCCCCC#N)C1 590889014 RXOAIZDHFWLOCP-CQSZACIVSA-N 264.413 3.745 30 20 CHED CCC#C[C@@H](C)N1CCO[C@@H](c2cccc(Cl)c2)C1 681032302 MJXNCTHKXWFGNC-CZUORRHYSA-N 277.795 3.515 30 20 CHED CC(C)c1cnc(Sc2nc(C#N)c(Cl)s2)[nH]1 599150828 JGLIMKPQXGJUKN-UHFFFAOYSA-N 284.797 3.666 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccccc1C(C)(C)C 844480945 CRVRKGASLAMRNH-LLVKDONJSA-N 262.353 3.612 30 20 CHED CC[C@H](NC(=O)CC1(C#N)CCCCC1)[C@@H]1CC1(C)C 597783349 JJYGWBKQOXRDMC-KBPBESRZSA-N 276.424 3.791 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCCS1 743316244 PIKRCWPDSUXBAM-KBPBESRZSA-N 271.470 3.995 30 20 CHED CCc1cnccc1[C@@H](C)N[C@@H](C)CC(C)(C)C#N 925685190 KRYQBXXWQVADAE-QWHCGFSZSA-N 259.397 3.623 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CSCc2ccccc21 924847613 HGAIYNUTKQZUGX-SWLSCSKDSA-N 274.433 3.892 30 20 CHED Cc1cc(C)cc(C=NNc2cccc([N+](=O)[O-])c2)c1 921251968 WNNDMEBXPZZMMW-UHFFFAOYSA-N 269.304 3.658 30 20 CHED O=C1/C(=C/c2ccccc2F)Cc2c(F)ccc(F)c21 749588923 GNUXHAUTQKEVNY-JXMROGBWSA-N 274.241 3.926 30 20 CHED CCc1ccc(C=NOCc2cccc([N+](=O)[O-])c2)cc1 853971345 WPHMPLIRTVUIBH-UHFFFAOYSA-N 284.315 3.708 30 20 CHED C=CC[C@@H](C)NC1CC(c2cc(F)cc(F)c2)C1 685424520 LSDKGSPWXOOUEA-CKQAKLJMSA-N 251.320 3.765 30 20 CHED CC(=NNc1nccc2sccc12)c1ccoc1 755891260 ZTTNKSKHEFOGTG-UHFFFAOYSA-N 257.318 3.725 30 20 CHED COCCC(=NNc1ccc(Cl)c(F)c1)C(C)C 756829234 MPSSVQREFSUMAG-UHFFFAOYSA-N 272.751 3.940 30 20 CHED Cc1cc(F)ccc1[C@@H](C)NCCc1ccc(C#N)cc1 850486176 AEVYJWDSOUDNIU-CQSZACIVSA-N 282.362 3.899 30 20 CHED COc1ccc(C(C)=NNc2cc(F)cc(F)c2)cc1 920376871 WXCNGNHCVJCTQQ-UHFFFAOYSA-N 276.286 3.810 30 20 CHED O=C1CC2(CCCCC2)CC(=O)C1=CNC1CCCCC1 920976751 SJKKAIJRJFULOJ-UHFFFAOYSA-N 289.419 3.675 30 20 CHED CC(/C=C\C(=O)c1cn(C)nc1C)=C/c1ccccc1 750913013 JRZVYLBESUMXFQ-ZRQQEUPBSA-N 266.344 3.571 30 20 CHED CCOc1ccc(/C=N/CCc2ccc(F)cc2)c(O)c1 920943336 VLKUGIQEVQHHRN-XDHOZWIPSA-N 287.334 3.592 30 20 CHED CC(C)CC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 131767118 UZWVHUPRQWPSAC-NSHDSACASA-N 261.325 3.703 30 20 CHED CCSC1(C/N=C/c2cc3ccccc3nc2O)CC1 852997962 FYOKDDIKSQNIHQ-LICLKQGHSA-N 286.400 3.645 30 20 CHED Cc1cccc(CC(=O)Oc2ccc(C#N)cc2)c1Cl 754517113 XIIIMIBRYOVVOE-UHFFFAOYSA-N 285.730 3.668 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2cccc(Cl)c2F)cc1 921137763 KIGYYCCYPYOOSJ-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ccnc2cc(Cl)ccc12 758358752 KHQNBQBBYIYDJH-VHSXEESVSA-N 259.740 3.942 30 20 CHED CC(C)(F)CCNc1cc(C(F)(F)F)cnc1C#N 853841849 YOORKLBJJQRATA-UHFFFAOYSA-N 275.249 3.522 30 20 CHED COc1ccc(NN=C2CCC(=C3CCC3)CC2)nc1 853336166 QNFWORBUZBNOJY-UHFFFAOYSA-N 271.364 3.913 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1cccc(C)c1)OCC 756562938 RXMXWCBLGGMBCW-GDBMZVCRSA-N 276.376 3.971 30 20 CHED C#CCCCCNCc1ccc(-c2ccccc2)o1 758495503 KMVDFXXAYIQXQM-UHFFFAOYSA-N 253.345 3.840 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)o1 47631067 LOPMIZPTUVEXIO-UHFFFAOYSA-N 268.360 3.870 30 20 CHED C#CC[C@@H](NC(=O)/C=C(\C)CCC)c1ccccc1 757579824 PSFGWPZPMITGED-FIFPYPGSSA-N 255.361 3.614 30 20 CHED C=C(Cl)CNC(=O)Nc1cccnc1-c1ccccc1 755045771 RWBCFPKCAOAMCC-UHFFFAOYSA-N 287.750 3.623 30 20 CHED CCC(=NO[C@@H]1CCCCO1)c1ccc(CC)cc1 755818553 SADPWEKTYYPBNQ-MRXNPFEDSA-N 261.365 3.906 30 20 CHED C#CCN(C(=O)Nc1cccc(SC)c1C)C(C)C 930707266 UTDSMYWZJJTUTD-UHFFFAOYSA-N 276.405 3.592 30 20 CHED CCC(C#N)(CC)C(=O)OCc1c(F)cccc1Cl 860194878 ZQGZXZWUOCMMPC-UHFFFAOYSA-N 283.730 3.852 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(C)sc1C 860198275 WRDPYVPUVQEENV-UHFFFAOYSA-N 265.378 3.738 30 20 CHED CC#CCCCCOC(=O)c1cc2ccsc2[nH]1 768126792 YWQYETHAGKAJIG-UHFFFAOYSA-N 261.346 3.580 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1ccnn1C 766026828 ZXNXYRSJTJKLJX-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C#CCCCN1CCC[C@@H]1c1ccc(OCC)cc1 766896428 OGWSTDFSPOKSAB-QGZVFWFLSA-N 257.377 3.636 30 20 CHED C#C[C@@H](C)N(C)Cn1cc(-c2ccc(F)cc2)oc1=S 766665423 GDYDOOFDVOXMFY-LLVKDONJSA-N 290.363 3.528 30 20 CHED C=C(Cl)C[C@@H](NCc1ccc(CC(C)C)cc1)C(=O)O 864518767 SUORKZHQWGTCGZ-OAHLLOKOSA-N 295.810 3.571 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccsc1C(F)F 935698346 PLEKCHWUAKMVDK-VIFPVBQESA-N 271.332 3.866 30 20 CHED C[C@H](CC#N)Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 865497391 KQCUOOGHXILRQO-ZCFIWIBFSA-N 274.107 3.616 30 20 CHED CC#CCCCC(=O)OCc1ccccc1C(F)(F)F 767673293 XYSCRYLCIGPMNV-UHFFFAOYSA-N 284.277 3.942 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H]1CCc2ccc(F)cc21 860584052 CSXUFEFWTVVYCM-AWEZNQCLSA-N 275.323 3.686 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cccc(OCC#N)c1 761336370 IZPBBDLHJFSPOX-LBPRGKRZSA-N 274.364 3.600 30 20 CHED CC[C@@H](C(=O)OCCC(C)(C)C#N)c1ccc(F)cc1 764665971 RQYUTXYZDSRWCJ-CQSZACIVSA-N 277.339 3.802 30 20 CHED C[C@H](C=NN1CCc2ccccc2C1=O)c1ccc(F)cc1 769597090 DNXNSZFMSJFVPT-CYBMUJFWSA-N 296.345 3.614 30 20 CHED CC#CCCCC(=O)OCc1cc(-c2ccc(C)cc2)no1 767667279 ZYWNJQBMSTXZOL-UHFFFAOYSA-N 297.354 3.887 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccccc1N(C)C 769587379 WJXZLDFHZQAAQO-UHFFFAOYSA-N 288.782 3.637 30 20 CHED C[C@@H](CCC1CC1)NCc1ccc(N(C)CCC#N)cc1 768953442 SRSLANIUOVTPTN-HNNXBMFYSA-N 285.435 3.705 30 20 CHED C=CCNC(=S)N[C@H]1C[C@@H](C(C)C)c2ccccc21 863226018 MDOIEKWWDFHPHZ-GJZGRUSLSA-N 274.433 3.521 30 20 CHED C#C[C@@H](OC(=O)CCCOC(C)(C)C)c1ccc(C)cc1 860963078 OQMLYEVCRGMJNN-MRXNPFEDSA-N 288.387 3.808 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccncc2CC)c1 766771723 KIBNZDGYSVFNBV-HJWRWDBZSA-N 281.355 3.939 30 20 CHED CN(CCC#N)c1ccc(CN[C@H]2CCC(C)(C)C2)cc1 768661574 HAVUOQZATYXAOD-INIZCTEOSA-N 285.435 3.705 30 20 CHED C#CC[C@H](NC(=O)C[C@@H]1CCC[C@H]1C)c1ccccc1 769454065 UISWSCQVHIWBAL-PVAVHDDUSA-N 269.388 3.694 30 20 CHED C=CCNc1ncc(C(=O)O[C@@H](C)c2ccccc2)s1 770118756 ZJZXHBJLUGAPJF-NSHDSACASA-N 288.372 3.659 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cccc(F)c1F 776260104 XAIKIXCLUMENSF-UHFFFAOYSA-N 271.270 3.673 30 20 CHED C#C[C@@H](C)NC(=O)/C(C)=C\c1c(Cl)cccc1Cl 775385678 JXYBIKXMZPCINO-HSTULFTRSA-N 282.170 3.535 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](COCC(C)C)c1ccco1 878591658 CSXZCCJZBNHOML-CQSZACIVSA-N 293.407 3.712 30 20 CHED CC[C@H](NCc1ccc(F)cc1C#N)c1ccccc1OC 775090733 WZNJFBJJDOFAKT-KRWDZBQOSA-N 298.361 3.947 30 20 CHED C=C(CC)COC(=O)[C@@H](C)CC(=O)c1ccccc1F 773522875 MOCNHOFFVVERFJ-LBPRGKRZSA-N 278.323 3.544 30 20 CHED C#CCCCCCC(=O)Nc1nc(C2CC2)cs1 779833154 BROQELXDSQSXCC-UHFFFAOYSA-N 262.378 3.543 30 20 CHED CCCCCCCC[C@@H](O)CCC(=O)N1CC[C@H](C)C1 774040943 PXFKUBKEOMZVKB-JKSUJKDBSA-N 283.456 3.747 30 20 CHED C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 774147165 KQMDYIPDAAXUNB-DVOMOZLQSA-N 260.356 3.601 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=Cc1ccc(C#N)s1 777447296 FMMKEXBQKIIIOR-QGZVFWFLSA-N 297.427 3.811 30 20 CHED C#CCOC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 772806856 NSVIDPXWCCPODN-UHFFFAOYSA-N 260.377 3.550 30 20 CHED Cc1cc(Cl)ccc1C(=O)N1CCc2c(C#N)cccc21 1129914336 PJNYFYPKOCLRQU-UHFFFAOYSA-N 296.757 3.723 30 20 CHED N#C[C@@H](OC(=O)c1c[nH]c2ccccc12)C1CCCCC1 776370470 GJTWCENGHNCRHO-MRXNPFEDSA-N 282.343 3.797 30 20 CHED C=CCCNc1ccc([S@](=N)(=O)C(F)(F)F)cc1 882594570 JZHTWUJEMFSDSA-SFHVURJKSA-N 278.299 3.600 30 20 CHED C#CCCCCCC(=O)Nc1cccc(OC(F)F)c1 779846779 ZDTLUPAOEIPLLC-UHFFFAOYSA-N 281.302 3.810 30 20 CHED COc1ccc(C#N)cc1NCc1c(F)cccc1Cl 64554086 FGSOAKBSWYMIBZ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)[C@H](F)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 784507161 RIJIDQKDMKDFDM-SKDRFNHKSA-N 294.326 3.606 30 20 CHED C=C1CCC(C(=O)N(CC)Cc2ccc(OC)cc2)CC1 887985995 KMISUGKISMMUAY-UHFFFAOYSA-N 287.403 3.790 30 20 CHED C=C(C)CCOC(=O)c1ccc(OC)cc1OC(C)C 789386981 KGBVEJKXTSSNMO-UHFFFAOYSA-N 278.348 3.605 30 20 CHED CC#CCNC(=O)Nc1ccc(-c2ccccc2)c(C)c1 785864166 MPSIURDJUQCXDB-UHFFFAOYSA-N 278.355 3.807 30 20 CHED CCCCCCCCN1CCCC[C@@H]1CC(=O)O 104776861 HCSQEPBNNWXSMN-CQSZACIVSA-N 255.402 3.676 30 20 CHED C=C1CC(c2noc(-c3ccnc(C(F)(F)F)c3)n2)C1 896876135 CVCBZVHPOGTXHE-UHFFFAOYSA-N 281.237 3.584 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)[C@@H](C)CC)c1ccccc1 780012224 BDJOCOUGCAUATE-LZWOXQAQSA-N 257.377 3.549 30 20 CHED C=C1CC(c2noc(C[C@H](C)c3ccccc3)n2)C1 896882542 UYHUOCQWCAYKQJ-LBPRGKRZSA-N 254.333 3.849 30 20 CHED CC1(C)CCC[C@@H]1NN=C[C@@H]1CCOc2ccccc21 782290182 ZXGLDZFTBSQEFL-BBRMVZONSA-N 272.392 3.707 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC(C)(C)CCC1(C)C 1131433556 SXHXFERUXLBTAT-UHFFFAOYSA-N 284.403 3.908 30 20 CHED CSc1ccccc1CC(C)=NO[C@@H]1CCCCO1 782906656 AYIJGGCBHMJNLK-OAHLLOKOSA-N 279.405 3.870 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 782378063 XIPLPFNNAHDVIV-SNVBAGLBSA-N 288.265 3.592 30 20 CHED C[C@@H]1CCCC[C@H]1C=Nn1c(S)nnc1C(C)(C)C 783800248 PDWBAYLQJLZDET-MNOVXSKESA-N 280.441 3.525 30 20 CHED CC(C)[C@@H](Nc1cccc(Cl)c1C#N)c1cnn(C)c1 896432375 OGNAWKNEBUCDEE-OAHLLOKOSA-N 288.782 3.754 30 20 CHED Cc1ccc2oc(CNC(=O)c3ccc(C#N)cc3)cc2c1 1131047406 CTNQDFDDJBCERA-UHFFFAOYSA-N 290.322 3.543 30 20 CHED CC(=NNCCc1ccncc1)c1ccc2c(c1)CCCC2 789086880 ZWHDMSFSGWABMX-UHFFFAOYSA-N 293.414 3.517 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 1134212567 UFZDMXLVSQDRIO-KURKYZTESA-N 298.430 3.796 30 20 CHED C=CCCN(Cc1ccn(C(C)C)n1)OCc1ccccc1 782670117 ZGAZORRWPPNWJA-UHFFFAOYSA-N 299.418 3.974 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 890321044 RHMYYXNGPVCBFF-JQWIXIFHSA-N 275.314 3.532 30 20 CHED CCOc1cccc(/C=N\C[C@@H](SC)C(C)(C)C)c1O 783682550 XKXKJEHCSWFQPC-AYCSXLNKSA-N 295.448 3.988 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(OC)nc1 793524305 LHPXYXNLPBLLGS-AWEZNQCLSA-N 262.397 3.705 30 20 CHED C=C1CC(c2noc(COc3cc(C)cc(C)c3)n2)C1 896889614 CKOHUPMHDNAKBL-UHFFFAOYSA-N 270.332 3.699 30 20 CHED C#C[C@@H](NC(=O)c1sc(C)nc1-c1ccccc1)C(C)C 799042323 WRTCGWIXBBLGFV-CQSZACIVSA-N 298.411 3.506 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)c1ccccc1 799297852 QZORXJLEPKXPMM-UHFFFAOYSA-N 264.328 3.533 30 20 CHED Cc1cc(C=NNc2cccc(F)n2)c(C)n1CC(C)C 795008271 FGJWBAMGJSDNRT-UHFFFAOYSA-N 288.370 3.741 30 20 CHED CCOc1cccc(C=NNc2cccc(Cl)n2)c1 793174564 KNUYTNNUOATCLZ-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CCCOc1c(Cl)cc(C=NN[C@H](C)CC)cc1OC 790182580 KVNYLMBKMVCFMI-LLVKDONJSA-N 298.814 3.859 30 20 CHED CC(Cc1ccccc1C(F)(F)F)=NNc1cccnn1 794851797 QXOYEQKDALLYBV-UHFFFAOYSA-N 294.280 3.526 30 20 CHED COc1cccc(C=NNc2cccc(Cl)c2)c1F 799864318 CYQJPVXLSGHXAG-UHFFFAOYSA-N 278.714 3.934 30 20 CHED Cc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1C#N 799309777 KQZWGHDGDFUARF-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NN[C@H](C)C(C)(C)C 793110766 BSSXCXPYSGXRHW-CYBMUJFWSA-N 286.423 3.896 30 20 CHED COc1cc(N=Cc2cccc(OC)c2O)c(C)cc1C 794847233 GILSBXHHYPYIRS-UHFFFAOYSA-N 285.343 3.777 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H]1CCN(C2CC2)C1 793526329 QPQLMGWVZLHMEY-CVEARBPZSA-N 264.457 3.585 30 20 CHED CC(C)(C)C1CCN(N=Cc2nc(Cl)cs2)CC1 790180443 FUSBEUNOSXNRKN-UHFFFAOYSA-N 285.844 3.889 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccsc2Cl)o1 790159502 ICSSBXWJRXWQMO-UHFFFAOYSA-N 294.767 3.831 30 20 CHED Cc1oc(C(C)C)nc1C(=O)O[C@H](C)c1cccc(C#N)c1 796962803 PHMBMNYLKHRVGR-LLVKDONJSA-N 298.342 3.896 30 20 CHED C#CCOc1cccc(Cl)c1CN1CCC(F)(F)CC1 793361534 IZCPHPYIYYBVDE-UHFFFAOYSA-N 299.748 3.583 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)C1 796823339 XKFHAYCKXYGHJF-IUODEOHRSA-N 271.360 3.833 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(F)cc2C)ccc1C#N 799497426 QMJUYUJULJJAQX-XBXARRHUSA-N 295.313 3.911 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cccc(SC)c1)OCC 797034485 DJJWTDXAYVSZQO-HNNXBMFYSA-N 294.416 3.823 30 20 CHED CC(C)(C#N)CCS(=O)(=O)c1ccc2ccccc2c1 87611085 RNWDVXDYXRBJDD-UHFFFAOYSA-N 287.384 3.553 30 20 CHED C#CCOc1ccccc1CNCc1cscc1Cl 771962530 INRHPYLBDFPNEN-UHFFFAOYSA-N 291.803 3.703 30 20 CHED Cc1cccc(C)c1OC[C@@H](C)Nc1ccc(C#N)c(C)n1 1306950163 QZCGRRIHHFHHNO-CQSZACIVSA-N 295.386 3.758 30 20 CHED CCc1cc2c(N[C@H](CC)CC#N)nc(C)nc2s1 1163001278 WVMVFRCWWNFVHO-SNVBAGLBSA-N 274.393 3.666 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NNc1ncccc1F 1321859626 BMTSXRWBKOGGAL-SNVBAGLBSA-N 285.322 3.558 30 20 CHED Cn1ccc(NN=C2CC[C@@H](c3cccc(Cl)c3)C2)n1 1325668559 VSNKIUVSHPKKIE-GFCCVEGCSA-N 288.782 3.809 30 20 CHED CC[C@H]1CCN(c2nc(C)c(C#N)cc2Cl)[C@@H]1C 1655393054 VMALMEXRYWEMTP-MNOVXSKESA-N 263.772 3.540 30 20 CHED N#Cc1ccnc(/C=C\c2ccc(F)c(C#N)c2Cl)c1 1324706012 HSBHFKPXCOZMMH-IWQZZHSRSA-N 283.693 3.788 30 20 CHED C=CCn1cnnc1SCc1ccc(CC(C)C)cc1 1322259363 VLDIYAPINMYGNF-UHFFFAOYSA-N 287.432 3.955 30 20 CHED C=CC[C@@H](C(=O)OCC[C@H](C)C(C)=O)c1ccccc1 1327967724 RVZSYCDWVRGOPL-XJKSGUPXSA-N 274.360 3.505 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](CC(C)C)c1ccccc1 1324661066 HCBDEUOAEUCFRQ-SFHVURJKSA-N 298.430 3.829 30 20 CHED Cc1nn(C)cc1CSCCCCC(C)(C)C#N 1325728348 GFTDBMMDCPRVOW-UHFFFAOYSA-N 265.426 3.682 30 20 CHED C=C(C)CCC(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 1336324684 HIDVLDPPMWCJAI-UHFFFAOYSA-N 296.374 3.644 30 20 CHED FC(F)(F)CNN=Cc1ccc(-c2ccccc2)s1 1338175944 AVJJLWQNPPRYSG-UHFFFAOYSA-N 284.306 3.901 30 20 CHED Cc1cncnc1Sc1ccc(C#N)c(C(F)(F)F)c1 1185923557 ZLLOBCKYUMPHKU-UHFFFAOYSA-N 295.289 3.827 30 20 CHED CC1(CCC(=O)Nc2cccc(OCCCC#N)c2)CC1 1262274200 RQXBIEHTWSIFMA-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C[C@@]1(CCOC(=O)c2ccc(C#N)cc2F)C[C@]1(F)Cl 1343754274 HXIUXLMUTQIOTO-ZIAGYGMSSA-N 299.704 3.559 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1OC 1353680089 SZKGNZQNZSAKNW-ZBFHGGJFSA-N 273.376 3.559 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2cc(C#N)c(F)cc2F)C1 1438610519 KXDABQBCYSVWTF-UWVGGRQHSA-N 278.302 3.601 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)[C@H](C#N)CCc1ccccc1 1442748146 LGPSARSBQPOGJO-NJAFHUGGSA-N 298.430 3.701 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cccc(F)c2Cl)c1 1525019416 ZPMHYGIEKWYWQU-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(c2ccnc(C#N)c2)C1 1458227256 MMVIMMWTPRQLDA-SJCJKPOMSA-N 281.334 3.680 30 20 CHED CCN(Cc1cccs1)C(=O)[C@@H](CC#N)c1ccccc1 1532715856 LOTLLJTVOWDBEW-INIZCTEOSA-N 298.411 3.794 30 20 CHED C=C(Cl)CN1CCCc2c(C)ccc(OC)c21 1473256606 VXQPQMUSVYKEJM-UHFFFAOYSA-N 251.757 3.509 30 20 CHED Cc1cc(C#N)nc(NCC[C@H]2C[C@@H](C)CC(C)(C)C2)n1 1639858608 LIELIFHZRKNAIS-OCCSQVGLSA-N 286.423 3.921 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2nc(Cl)sc2C)c1 1597281472 TVIIBQBZBJKDIH-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CC[C@H](C(=O)O)C1 1589644824 AYPXBDZGAJLKIY-CABCVRRESA-N 297.439 3.696 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCNc2ccccc21 1580059331 ALYLRRDXDHAGGM-UHFFFAOYSA-N 283.762 3.644 30 20 CHED C=C(CC(C)C)C(=O)Nc1sc(C)c(C)c1C(=O)O 1588605729 KOJUBPNZVFQGAJ-UHFFFAOYSA-N 281.377 3.604 30 20 CHED COC(=O)c1cc(C)cc(NCc2ccc(C#N)c(C)c2)c1 1660107741 VACODPCNPANANJ-UHFFFAOYSA-N 294.354 3.574 30 20 CHED C=CC[C@]1(C(=O)O)CCN(C[C@@H](C)C2CCCCC2)C1 1776159530 CIZAAJWURGXBIE-PBHICJAKSA-N 279.424 3.556 30 20 CHED C=C(C)CCCN1C[C@@H](C(=O)O)C[C@@H](c2ccccc2)C1 1776138662 VIEYPFAEJFEARH-SJORKVTESA-N 287.403 3.533 30 20 CHED CCC(CC)CC=NNc1cccc(C(=O)O)c1C 1776087247 QPETTZXMOHFUAK-UHFFFAOYSA-N 262.353 3.917 30 20 CHED O=C(O)c1cc(NN=C(CC2CC2)CC2CC2)ccc1F 1776064206 CWWURKGDWRHVCV-UHFFFAOYSA-N 290.338 3.892 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)OCc1cccc(C#N)c1 16296233 ITVLHLTWDRWZAY-UHFFFAOYSA-N 290.322 3.705 30 20 CHED N#Cc1ccc(NCc2nnc(-c3ccccc3)s2)cc1 162547410 DCLLBEWIDKMCSU-UHFFFAOYSA-N 292.367 3.689 30 20 CHED C=CCN(CC=C)Cc1cc(Cl)c(OC)c(OC)c1 158128173 YPBCFGDORIRUMR-UHFFFAOYSA-N 281.783 3.531 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1C[C@]1(C)CC 160001597 UWJKZQPEWOPLPS-HIFRSBDPSA-N 263.406 3.699 30 20 CHED N#Cc1cccc(C(=O)CSc2ncccc2Cl)c1 160752367 FFXFCTJETKAEBI-UHFFFAOYSA-N 288.759 3.582 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 160985182 LIHHIZMPUZBBEE-DLBZAZTESA-N 265.356 3.636 30 20 CHED CCCCCCCCC(=O)N[C@H](CC(=O)O)C(C)(C)C 136707707 WELPPTSOBFUGJC-CYBMUJFWSA-N 285.428 3.743 30 20 CHED C=CC[C@@H](C)NC(=O)c1cncc(-c2cccc(C)c2)c1 152147459 QCMFHWCGGWTKDQ-CQSZACIVSA-N 280.371 3.751 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(F)c(F)cc1F 152121601 PQJPZOGKKJPSCJ-UHFFFAOYSA-N 298.308 3.696 30 20 CHED C=C(Cl)CSc1nnc(-c2ccc(F)cc2)n1CC 155061188 OSHFKGVSRZWQRZ-UHFFFAOYSA-N 297.786 3.949 30 20 CHED CCCc1ccc(OC[C@H](O)c2ccc(C#N)cc2)cc1 154158769 PVJLYANJFXLBJM-SFHVURJKSA-N 281.355 3.623 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(OC)c(-c2ccccc2)c1 154276303 ZIBMKMLDSDRPHT-CYBMUJFWSA-N 281.355 3.667 30 20 CHED C=CCN(CC=C)Cc1cc(Br)cs1 505859462 WNDXUJXEAYYRAL-UHFFFAOYSA-N 272.211 3.685 30 20 CHED CCC(CC)CN(CC)C(=O)C1(C#N)CCCCC1 44766304 IRQJTDOJIHMAAP-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C[C@@H](C#N)CNC1CCC(C)(c2ccccc2)CC1 183813359 PHARQDBOEDQXRF-OOHWJJMZSA-N 256.393 3.636 30 20 CHED Cc1nc(N2CCC3(CCCC3)C2)c(Cl)cc1C#N 311610376 VJLPVAGSXMVPDV-UHFFFAOYSA-N 275.783 3.686 30 20 CHED N#Cc1ccc(C[S@@](=O)Cc2ccccc2Cl)cc1 78289129 FQSNOIIMYFLLKQ-IBGZPJMESA-N 289.787 3.661 30 20 CHED OC(=Nc1ccc2nc[nH]c2c1)[C@@H]1CC12CCCC2 329950445 HUJJOLNCLSZWEO-NSHDSACASA-N 255.321 3.731 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC=CCC1 701306960 RDVDYOSNBUNVDK-SNVBAGLBSA-N 260.724 3.506 30 20 CHED C[C@H](C#N)CN(C)CCc1cc(Cl)cc(Cl)c1 447349955 YNFVJBPEHKHIQH-SNVBAGLBSA-N 271.191 3.627 30 20 CHED C#CCN(Cc1ccc(Cl)cc1Cl)C1CC1 746115354 RLSCEVWLNKZCRV-UHFFFAOYSA-N 254.160 3.591 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)Nc1cccc(C#N)c1 104773006 KZRZZSPXVIQDAJ-QGZVFWFLSA-N 291.354 3.676 30 20 CHED CCCCN(C)CC1CCN(Cc2cccc(C#N)c2)CC1 52208868 KXLCYKUUIIJKFM-UHFFFAOYSA-N 299.462 3.502 30 20 CHED Cc1cc(CNc2ccc(C#N)cc2[N+](=O)[O-])ccc1F 106007947 JTSROLRXPJAPJT-UHFFFAOYSA-N 285.278 3.526 30 20 CHED Cc1noc(C)c1[C@H](C)/N=C/c1cc2ccccc2nc1O 113771420 RRFIRMKSDQWKDZ-NTOSSWPYSA-N 295.342 3.725 30 20 CHED CCc1ccc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)o1 176680532 VDJUIVJWHCDQKK-SOFGYWHQSA-N 272.348 3.759 30 20 CHED C#CCNC(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 54541948 DCZVCKYWYXWPHQ-ZDUSSCGKSA-N 284.359 3.549 30 20 CHED Cc1ccccc1-c1nc(C(=O)O[C@@H](C#N)C2CC2)cs1 177037852 CVXXBOIOPIVJPE-AWEZNQCLSA-N 298.367 3.578 30 20 CHED C=CCCCC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C 175950307 HWFIOBKLJZIFTQ-DOTOQJQBSA-N 287.403 3.640 30 20 CHED CC[C@@H](C/N=C(/N)Nc1ccc(C)cc1)c1ccccc1 303782215 MXHFBVLAPPMAHB-HNNXBMFYSA-N 281.403 3.915 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCC2(O)CCCCC2)c1 302261217 COXRZSVQZAOVAK-UHFFFAOYSA-N 298.308 3.684 30 20 CHED Cc1cc(NC(=O)N(CCC#N)CCC(C)C)ccc1F 176975734 XVSVABNUOGHSKU-UHFFFAOYSA-N 291.370 3.928 30 20 CHED CN(Cc1ccc(Cl)cc1)c1c(C#N)cccc1C#N 302467755 SYORGDIQBNKJAR-UHFFFAOYSA-N 281.746 3.720 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)NCCCCC#N 178642174 PQPFKKIKPYFLNW-NSHDSACASA-N 265.426 3.919 30 20 CHED N#Cc1ccc(N(Cc2ccco2)Cc2ccco2)cc1 112964041 NSPGXTCXGNMWRJ-UHFFFAOYSA-N 278.311 3.951 30 20 CHED C=CCCC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 67158267 GAJVYICBYSZMPT-AWEZNQCLSA-N 297.402 3.544 30 20 CHED C[C@@H](CNc1cccc(F)c1C#N)Oc1cccc(F)c1 301450135 LGBABDRJOSLOJA-NSHDSACASA-N 288.297 3.716 30 20 CHED CCS[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)C 66288762 NJUPRLGYQALJGT-WFASDCNBSA-N 290.432 3.513 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C#N)cc1 115135289 GXBLGOVHCOZPGN-KDOFPFPSSA-N 290.366 3.576 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1CC(F)(F)F 173997456 ZIGDHKZGNVHCLV-UHFFFAOYSA-N 298.308 3.997 30 20 CHED CC(C)(C)N/C(N)=N/Cc1cccc(Oc2ccccc2)c1 303871125 FTJAKRLTLZCOMU-UHFFFAOYSA-N 297.402 3.682 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C)cc2F)CC1 111705991 GHNHHUHSXCJLCM-UHFFFAOYSA-N 262.328 3.564 30 20 CHED C=CC1CCN(Cc2ccc(OC(F)F)c(OC)c2)CC1 171884448 LXHTWDXRIWNCPX-UHFFFAOYSA-N 297.345 3.695 30 20 CHED C/C(=C\C(=O)O[C@@H](C#N)C(C)C)c1cccc(Cl)c1 176034945 ZFFGQRBXMWYWCC-OIOXUXFSSA-N 277.751 3.835 30 20 CHED C=CCCCC(=O)N[C@H](Cc1ccccc1OC)C(C)C 176516090 KGLKQTSEYDMMSO-MRXNPFEDSA-N 289.419 3.735 30 20 CHED C[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c1ccccc1F 116811050 BWSYVECPRIJROR-IGCXYCKISA-N 288.366 3.518 30 20 CHED CCc1ccc(Oc2c(C#N)cccc2C#N)c([N+](=O)[O-])c1 302905640 VYQCMZQAZUOKKK-UHFFFAOYSA-N 293.282 3.693 30 20 CHED CCC1(CC)CCCN(C(=O)c2cc(C#N)oc2C)CC1 408417379 YHMVZWAMCXLDIO-UHFFFAOYSA-N 288.391 3.892 30 20 CHED C=C(C)CCN(C)[C@H](C)c1sc(CC)nc1C 352016820 ZYQMYJROSUKMCC-GFCCVEGCSA-N 252.427 3.973 30 20 CHED CCN(CCNCC(C)(C)CCC#N)c1cccc(C)c1 174244494 NUUASXJDYOCQBT-UHFFFAOYSA-N 287.451 3.741 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc([N+](=O)[O-])cc1C#N 301372823 UGDLYZDCBGBWOU-XUJVJEKNSA-N 285.347 3.624 30 20 CHED C=C(C)CN(C)c1ccc(C(=O)Nc2ccc(C)cc2)cn1 302068644 VBJZLBCOWOACLU-UHFFFAOYSA-N 295.386 3.655 30 20 CHED CC[C@@H]1Cc2ccccc2CN1c1ncc(C#N)cc1Cl 302233367 ZMOYMTRPTVLWAI-OAHLLOKOSA-N 297.789 3.948 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CCC[C@@H](C)C1 121646435 KSEDDWQDRNHRBM-ZIAGYGMSSA-N 264.413 3.791 30 20 CHED C=C(C)CN(CC)C(=O)CSc1cccc(C)c1 121013646 QUXSSBNXDXCGMA-UHFFFAOYSA-N 263.406 3.512 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)Cc1cccc(C#N)n1 602430525 AVRWVOCVSWMVBL-OAHLLOKOSA-N 279.387 3.754 30 20 CHED CCOCc1ccccc1CNc1nc(C)cc(C)c1C#N 30518247 BTIDQUAOKPBPNN-UHFFFAOYSA-N 295.386 3.719 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OC)c(F)c1 124255906 BXCVAJSYOLMKJU-UHFFFAOYSA-N 263.312 3.541 30 20 CHED CCn1c(C(=O)[C@@H](C#N)c2ccccn2)cc2ccccc21 125478339 FIJIQMXDBJGVIQ-AWEZNQCLSA-N 289.338 3.546 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccncc1 181417156 SNRUVPHOHSDWJQ-KBPBESRZSA-N 275.396 3.529 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)cc1Cl 187759780 AAXKRJFXIPTNQX-HNNXBMFYSA-N 281.783 3.816 30 20 CHED Cc1cc(C)c(CCN[C@H]2CCC[C@H](C#N)C2)c(C)c1 185865072 RSZOXEVYHWJKPX-IRXDYDNUSA-N 270.420 3.826 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cc(Cl)c(OC)cc1OC 180946897 ZXNCPHMAJNGFFR-GHMZBOCLSA-N 283.799 3.972 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1ccc(F)c(F)c1 120365601 YSAWRPZNFKQQBQ-NSHDSACASA-N 266.287 3.763 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccccc1SC 120110593 JWHDJIDAPKNSAC-CYBMUJFWSA-N 292.448 3.634 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCSC2(CCC2)CC1 413433277 JXGJXEKKJBUYKK-CQSZACIVSA-N 296.480 3.802 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](OCCC)CC1 181120829 MJXHWJRWBOPTLF-HOTGVXAUSA-N 296.455 3.722 30 20 CHED CC(C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 120798775 STHTXBRSRVDUSQ-UHFFFAOYSA-N 270.357 3.881 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1cc(C)ccc1OC 414169717 RYLUPUUAEWTAII-HNNXBMFYSA-N 274.408 3.984 30 20 CHED C=CCOCCCC(=O)N1CCCc2cccc(Cl)c21 74728051 OKLZUUJLVPKCIO-UHFFFAOYSA-N 293.794 3.602 30 20 CHED CCCc1nc(C)c(C(=O)Nc2ccccc2C#N)s1 76709400 NYAHZUGARIOLGO-UHFFFAOYSA-N 285.372 3.528 30 20 CHED C#CCCCCNCc1ccc(C)cc1Br 125972988 GYVCVOZFBRQYEK-UHFFFAOYSA-N 280.209 3.651 30 20 CHED CCNc1nc(S[C@H](C)CCC#N)nc2ccccc12 188275101 AMRCOIICYMSKOD-LLVKDONJSA-N 286.404 3.846 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)c2ccccc21 507854149 DCPXPLUSNVQXGY-LLVKDONJSA-N 254.358 3.743 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(C)c([N+](=O)[O-])c2)c1 211755236 IDCFDLUPEHJGRE-HJWRWDBZSA-N 297.310 3.808 30 20 CHED C=CCN(Cc1ncnn1CC(C)C)CC1CCCCC1 182782957 KLWDILPPWXOLSK-UHFFFAOYSA-N 290.455 3.502 30 20 CHED Cn1cc(CN[C@@H](c2ccccc2)C(C)(C)C)cc1C#N 189583557 BGXHQJLNEPTAON-KRWDZBQOSA-N 281.403 3.774 30 20 CHED CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)cc1 186377709 PZCDLHKJRLPFDU-GOSISDBHSA-N 290.366 3.535 30 20 CHED CC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(C#N)c1 186357669 CRVLNHMFFHKOAQ-GOSISDBHSA-N 290.366 3.535 30 20 CHED CCc1ccc([C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 75481300 FKNIKXHIJHMXOR-AWEZNQCLSA-N 284.403 3.695 30 20 CHED Cc1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H](C)C1 180817072 GGWXKFBYFFQPPD-BBRMVZONSA-N 294.402 3.952 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)oc1C 412811087 BOBBKWKFPMAGLA-MRXNPFEDSA-N 283.371 3.814 30 20 CHED Cc1nn(Cc2ccc([C@H](C)C(F)(F)F)cc2)cc1C#N 418976901 WBWOKJMMLHMDFZ-JTQLQIEISA-N 293.292 3.777 30 20 CHED N#CCCN(Cc1ccccn1)Cc1ccc(Cl)s1 174832231 KPEKBCOPBIMYFO-UHFFFAOYSA-N 291.807 3.712 30 20 CHED CCCCCCCCC(=O)O[C@@H](C)c1nc(C)no1 130501103 USQKFYHZPQIRKG-NSHDSACASA-N 268.357 3.733 30 20 CHED C=C(Cl)CNCc1ccc(CSC(F)F)o1 131668472 JTLFUPWGWGZXEN-UHFFFAOYSA-N 267.728 3.578 30 20 CHED CCCOc1ccc(Nc2ccc(C#N)cn2)c(C)c1 48625938 YEYWCNNZJNSCQV-UHFFFAOYSA-N 267.332 3.794 30 20 CHED CC[C@H]1C[C@]1(NCC1(C#N)CC1)c1cccc(C)c1 502484555 YDFGQYUUXIRQTL-WMLDXEAASA-N 254.377 3.514 30 20 CHED CC(C)O[C@@H]1C[C@H](/N=C(/O)[C@@H]2CCC(=O)[C@@H](C)C2)C1(C)C 329779904 RJDKQXKAJURTNZ-MYZSUADSSA-N 295.423 3.540 30 20 CHED CCc1nc([C@@H](C)NCc2ccc(C#N)c(F)c2)cs1 192182682 FVDHJLOTRXVKHS-SNVBAGLBSA-N 289.379 3.567 30 20 CHED CCN(Cc1cccc(F)c1C#N)c1cccc(OC)c1 428373625 NZFFODUSHHLGNM-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(O)cc1C)c1ccccc1 427638101 JMZGMJSHJSGIHR-MRXNPFEDSA-N 281.355 3.999 30 20 CHED Cc1nccc(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)n1 328999637 KSWPVQVNJSISQD-CWRNSKLLSA-N 287.407 3.848 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CC1CCCCC1 195745445 HBUOKZRXGHDGCJ-RDJZCZTQSA-N 293.451 3.929 30 20 CHED Cc1cccnc1NCc1cccc(OCCCC#N)c1 131007277 AKGPNGYEHQDIAK-UHFFFAOYSA-N 281.359 3.685 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)C[C@H]1F 425416056 HZFREUGPGWKKLX-ZWNOBZJWSA-N 287.787 3.664 30 20 CHED N#Cc1cc(NC(C2CCC2)C2CCC2)ccc1[N+](=O)[O-] 324752801 UHZJHRZZUPVLRZ-UHFFFAOYSA-N 285.347 3.847 30 20 CHED Cc1cc(C)cc(C(=O)N[C@](C)(C#N)C2CCCCC2)c1 518242320 FJKVQWOUNQZWOH-GOSISDBHSA-N 284.403 3.896 30 20 CHED CCCN(CCc1cccc(F)c1)C(=O)[C@@](C)(C#N)CC 512575070 VPGCDTXWUFWEGQ-QGZVFWFLSA-N 290.382 3.547 30 20 CHED C=CCNC(=O)c1ccc(NCc2ccc(C)c(C)c2)cc1 193923365 OVNGPORNCGRLRN-UHFFFAOYSA-N 294.398 3.831 30 20 CHED CC(C)(C#N)CCCN1CCS[C@@H]2CCCC[C@@H]21 177193077 BUBJUSSMUZRYLX-UONOGXRCSA-N 266.454 3.676 30 20 CHED C=CCOCCCC(=O)N[C@@H](CC)c1cc(F)ccc1F 80429895 JEIQFGUJEQGWAU-HNNXBMFYSA-N 297.345 3.515 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)C(C)(C)c1ccccc1 84095807 LZXIFVSIOCPHTM-LBPRGKRZSA-N 298.411 3.716 30 20 CHED CC(C)c1ccc(C[C@@H](C)NCc2cc(C#N)n(C)c2)cc1 191529646 VOEXHSLOCIPGDD-OAHLLOKOSA-N 295.430 3.741 30 20 CHED Cc1cccc(Cl)c1NC(=O)N1CCC(CC#N)CC1 335836794 MWXJBNUJPVCOMM-UHFFFAOYSA-N 291.782 3.806 30 20 CHED Cc1cncc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 335754512 XWELXWZNFMQEHX-LJQANCHMSA-N 291.398 3.819 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@@H](C)C2CC2)c1 193709679 LHLBNSACFIZHQU-LBPRGKRZSA-N 274.364 3.514 30 20 CHED C=CCC1(c2nc(Cc3cccc(F)c3)no2)CCC1 518436970 UEBIJMMBUGNHQP-UHFFFAOYSA-N 272.323 3.797 30 20 CHED CC(=O)Nc1cc(N[C@H](C)c2cccc(C#N)c2)ccc1C 193015322 RJTNEHNRYOSCAW-CYBMUJFWSA-N 293.370 3.998 30 20 CHED Cc1ccc(C#N)cc1NCc1cnn(-c2ccccc2)c1 194766336 SOCJHXNPZARBEH-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccccc2OC)n1 517045170 VQXPOQJVTAWHHN-UHFFFAOYSA-N 272.348 3.523 30 20 CHED C=CCOCCCN1C[C@@H](C)C[C@H]1c1ccccc1 513268770 YYDCICKHWMILJH-RDJZCZTQSA-N 259.393 3.662 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CCC(c2cccc(N)c2)CC1 517243326 IIVGSBSABFXLGF-CQSZACIVSA-N 286.419 3.577 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCCc2cc(N)ccc21 423342767 DEOGDBQMFYAWAC-DCGLDWPTSA-N 258.409 3.837 30 20 CHED Cc1cc(CNCCCCC#N)cc(C)c1OC(F)F 237600471 LLLIISWGBIXDNI-UHFFFAOYSA-N 282.334 3.688 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)C2CCC(=O)CC2)[nH]1 330210450 CJBDKPCEEVPNMV-UHFFFAOYSA-N 297.358 3.732 30 20 CHED C[C@H]1CN([C@@H](C(=N)O)c2ccc(C#N)cc2)c2ccccc21 334641399 PJEUEPCTOXUYOU-YVEFUNNKSA-N 291.354 3.758 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 515126001 TYSAOXVIJAJOIP-SOUVJXGZSA-N 297.402 3.755 30 20 CHED N#Cc1ccc(CNc2ccc3cc(C#N)ccc3n2)cc1 92916649 BFDWVQNYKXGNOO-UHFFFAOYSA-N 284.322 3.590 30 20 CHED C=CCOCCCC(=O)NCC1CCC(C(C)C)CC1 432336390 NLUHQHYDKQZWAA-UHFFFAOYSA-N 281.440 3.548 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc2ccsc12 435603090 GUBUVMHZBUBRLX-RISCZKNCSA-N 274.389 3.689 30 20 CHED Cc1ccnc(CSCCCCC(C)(C)C#N)n1 435890200 SACWXWOKHFNILM-UHFFFAOYSA-N 263.410 3.738 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 527861715 YXVUDFYXRHDQQZ-JEBQAFNWSA-N 296.414 3.589 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)c1ccc(CC#N)cc1 340063729 FBVKAONOFZIYEX-CQSZACIVSA-N 278.355 3.552 30 20 CHED C=C[C@H](C)NC(=O)c1cccc2c1ccn2CC(C)C 346249327 WIJFHZOXSJRIAI-ZDUSSCGKSA-N 270.376 3.602 30 20 CHED C=CCCCCCN1CCC(c2ccnn2CC)CC1 434754036 DNSLNPSXWXYVBR-UHFFFAOYSA-N 275.440 3.829 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@@H]2CCCC[C@@H]2C)no1 346399814 FSLYBWZBKFLIIR-CRWXNKLISA-N 276.380 3.812 30 20 CHED CC(C)CSCCCNc1nccc(C#N)c1Cl 342731313 TYULMBFMYSCUPN-UHFFFAOYSA-N 283.828 3.798 30 20 CHED N#CCC1(CNCc2ccccc2OC2CCCC2)CC1 430070372 KIPUADWIZWBHJU-UHFFFAOYSA-N 284.403 3.791 30 20 CHED N#CC1(CN2CCc3c(Cl)cc(Cl)cc3C2)CC1 347476112 IPJOGQDKHOKJTN-UHFFFAOYSA-N 281.186 3.655 30 20 CHED Cc1csc(NC(=O)[C@H]2CCC[C@@H](C)C2)c1C#N 344919815 FHZDPTXWQQEWQG-KOLCDFICSA-N 262.378 3.693 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(CN(CC)CCC)cc1 342382303 WOKNXRGQQBQQCB-OAHLLOKOSA-N 288.435 3.613 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)CCCC2 430753312 IBGHGXQLCFKEAX-CQSZACIVSA-N 268.404 3.910 30 20 CHED CCC[C@@H](C#N)NC(=O)C1=C(c2ccccc2)CCCC1 520752694 CCVUMNMDDYDPCJ-HNNXBMFYSA-N 282.387 3.823 30 20 CHED N#Cc1cnccc1/C=C\c1c(F)cccc1Cl 349102440 AHZBGVQJBHFGLS-PLNGDYQASA-N 258.683 3.916 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)[nH]2)n1 341170019 JOYDEEFMMPRFLS-PWSUYJOCSA-N 270.336 3.620 30 20 CHED C=C(C)[C@H](NCC[C@@H]1CCOC1)c1ccc(F)c(F)c1 437985945 LESGADCIXPCOQG-WBMJQRKESA-N 281.346 3.598 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)c2cc(C)cc(C)c2)CC1 600871259 GEROLSGIBHTJAZ-OAHLLOKOSA-N 286.419 3.972 30 20 CHED COCCN(CCCCC(C)(C)C#N)[C@H]1CCCSC1 433181925 MHDOTZINTLHNJO-HNNXBMFYSA-N 298.496 3.550 30 20 CHED Clc1ccc(C=Nn2cnc3ccccc32)cc1 254708957 VWXSMJSIZOUQAV-UHFFFAOYSA-N 255.708 3.572 30 20 CHED C=CCN(C(=O)C1=CCCC1)c1nc2c(s1)CCCC2 348425551 UMZJNBMYURXDPB-UHFFFAOYSA-N 288.416 3.651 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1nc(C)ccc1C#N 346832401 NEVKAZHEFUSZFF-INIZCTEOSA-N 263.344 3.670 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2cc(C#N)c[nH]2)n1 341182267 IMAVQMRNDOKYSM-VXGBXAGGSA-N 270.336 3.620 30 20 CHED C=CCN(Cc1coc(-c2ccc(C)cc2)n1)C1CC1 538957497 GDFWVWPDQCGJTD-UHFFFAOYSA-N 268.360 3.800 30 20 CHED Cc1cc(CN(C)c2nccc(C#N)c2Cl)ccc1F 343091519 PVPBHHKMLZMEMN-UHFFFAOYSA-N 289.741 3.691 30 20 CHED Cc1cc(C)c(C#N)c(SC2Cc3ccccc3C2)n1 609481324 GHIOZUYPVWYIJU-UHFFFAOYSA-N 280.396 3.830 30 20 CHED N#Cc1cccnc1/C=C\c1nc2ccc(F)cc2s1 352021286 OFQRPTQSICMSHT-WAYWQWQTSA-N 281.315 3.872 30 20 CHED C=CCCCON=Cc1ccc(OC(F)F)c(OC)c1 255584353 BWKQEIMLAUCOJZ-UHFFFAOYSA-N 285.290 3.613 30 20 CHED Cc1nnc(-c2ccc(Oc3ccc(CC#N)cc3)cc2)o1 1346601064 MSUOKXPKVSVKCM-UHFFFAOYSA-N 291.310 3.903 30 20 CHED C=CCCSCC(=O)Nc1ccc(F)cc1Cl 265738666 DGBDTRBYNOVKHM-UHFFFAOYSA-N 273.760 3.727 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CC12CCCCC2 532893274 HGKJYNTUOOHNJF-CQSZACIVSA-N 268.360 3.776 30 20 CHED C=CCN(CCc1ccco1)Cc1ccnn1C1CCCC1 449229329 ZZUBDJKOSBWBKW-UHFFFAOYSA-N 299.418 3.822 30 20 CHED CC(C)(C#N)CCCCN[C@H]1CC(C)(C)OC1(C)C 444683283 FHLLDLVGMJCABZ-ZDUSSCGKSA-N 266.429 3.642 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2[C@@H]3CCc4ccccc4[C@H]32)C1 359873565 PPFVHLVKETWEML-DKEKNDPOSA-N 280.415 3.634 30 20 CHED C=CCCCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 533029581 YUTROHAETCEIGN-SFHVURJKSA-N 294.398 3.922 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCCC(C)(C)C1)c1ccc(C#N)cc1 443104358 RTMKYJIIBLOLAR-XJKSGUPXSA-N 299.418 3.887 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H](CC)c1ccncc1 268148453 APWJVOYRLYNQRO-MRXNPFEDSA-N 272.392 3.760 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1C 358247085 CZEXISIHZFJPQQ-UHFFFAOYSA-N 295.382 3.832 30 20 CHED CCc1cc(C#N)ccc1OCCCOC(C)(C)C 619669009 KLHWYXUVADBALG-UHFFFAOYSA-N 261.365 3.705 30 20 CHED C=C(CC)CNCc1cnc(-c2cccs2)s1 449737514 ZEWWXQLVCOUSKJ-UHFFFAOYSA-N 264.419 3.927 30 20 CHED N#Cc1ncccc1NCCCSc1ccccc1 357326657 QDUDGHZLSKCPMD-UHFFFAOYSA-N 269.373 3.548 30 20 CHED CCC(C)(C)C1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 359032376 WGZPYKJBBWUAQZ-UHFFFAOYSA-N 287.407 3.611 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H](F)C2)c1 357682422 RFLQSDXQMKLICG-JTQLQIEISA-N 272.245 3.515 30 20 CHED Cc1c(C#N)c(SCCC(C)(C)C#N)nc2c1CCC2 266264400 WVBBDDTZORGKME-UHFFFAOYSA-N 285.416 3.782 30 20 CHED C=CCCCC[C@@H](C)NCc1cn2ccsc2n1 449103756 RWULWNCBXDTUST-GFCCVEGCSA-N 263.410 3.620 30 20 CHED CN(Cc1cn2ccccc2c1C#N)c1ccc(F)cc1 357696724 MWDVUKAULOPTNN-UHFFFAOYSA-N 279.318 3.586 30 20 CHED CC1(C)CCC[C@H]1NCCSCc1ccccc1C#N 539075330 CQMWZYZIPVERRQ-MRXNPFEDSA-N 288.460 3.960 30 20 CHED Cn1ccc2c(NCCCC3(C#N)CCOCC3)cccc21 538611287 JVDPOGKOSNCXGK-UHFFFAOYSA-N 297.402 3.691 30 20 CHED N#C[C@]1(F)CCN(CCCc2cccc3ccccc23)C1 615645422 NUWMJBNAPSYYAT-GOSISDBHSA-N 282.362 3.710 30 20 CHED CO[C@@H]1CCOc2c(N[C@@H]3CCC[C@@H](C#N)C3)cccc21 619202868 HKDPRAVBQVUGPN-XJKCOSOUSA-N 286.375 3.651 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(-c2ncco2)c1C 455536770 QLZYRQGPZUZZKA-UHFFFAOYSA-N 285.347 3.690 30 20 CHED CC(C)[C@@H]1CN(C(=O)c2cccc(CC#N)c2)[C@@H]1C(C)C 456300519 UEGRYSRDNCSPIX-DLBZAZTESA-N 284.403 3.505 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)CC1CC(F)(F)C1 450983249 PGFUAFRJXCKBDT-UHFFFAOYSA-N 297.393 3.887 30 20 CHED CC(C)O[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)C1(C)C 618804170 KFVNWJGMMFLXPE-OKZBNKHCSA-N 298.430 3.727 30 20 CHED C=CCC1(C(=O)NCCC(C)(F)F)CCCCC1 452214015 KDJXDWNITWLHAH-UHFFFAOYSA-N 259.340 3.675 30 20 CHED C=CCC1(C(=O)N2CCC[C@](C)(OC)CC2)CCCCC1 451358696 JQQAVZYJDURLAE-KRWDZBQOSA-N 293.451 3.931 30 20 CHED C[C@H]1CC[C@@H](CC(=O)NCc2ccc(C#N)c(Cl)c2)C1 619767062 QIVQDBVNZIEXBG-NWDGAFQWSA-N 290.794 3.654 30 20 CHED Cc1c(C#N)c(NC(=O)C2CCC2)n(-c2ccccc2)c1C 611466714 HCAQMBCQAYOVIQ-UHFFFAOYSA-N 293.370 3.704 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2)C1 617779249 XQGAXBQOJQHWPV-RDJZCZTQSA-N 271.404 3.680 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3ccccc3nc2C)C1 617777591 SMQZTQIXJWDWTG-OAHLLOKOSA-N 294.398 3.972 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)cc(F)c1 540484855 SMUHRWRSUCWFKO-JTQLQIEISA-N 268.307 3.831 30 20 CHED CCC[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C(C)(C)C 452671400 MNGFFRZTRDURBR-CJNGLKHVSA-N 286.419 3.993 30 20 CHED N#CC1(CN(Cc2ccc(F)cc2)CC2CC2)CCC1 450414880 YXHIHZHNLZIASG-UHFFFAOYSA-N 272.367 3.732 30 20 CHED Cc1ccccc1[C@H](NC(=O)CC(C)(C)C#N)C1CC1 278373209 PSEIHQMHEGWLAD-MRXNPFEDSA-N 270.376 3.502 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCCC2(CCOCC2)C1 275752489 WWLBAIGYPYOJAH-HNNXBMFYSA-N 284.403 3.512 30 20 CHED C=CCN(C(=O)[C@H](C)c1c(F)cccc1F)C(C)(C)C 622944925 KXGBKSBKBCCOHS-LLVKDONJSA-N 281.346 3.881 30 20 CHED CC[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CCCC1 454345180 IYWXDUSFCAYTGC-SUMWQHHRSA-N 299.418 3.887 30 20 CHED CC(C)(C)c1ccc(C(C)(C)C(=O)NCCCC#N)cc1 542382285 YGTAACFRXHPNJZ-UHFFFAOYSA-N 286.419 3.682 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@@H]2CCCC[C@H]12 542040334 DEDZECAHUXJRNG-SRCQZFHVSA-N 272.367 3.708 30 20 CHED C=CCCC1(C(=O)Nc2ccc(F)c(F)c2F)CC1 361438481 ZUCPZLDXFWALPZ-UHFFFAOYSA-N 269.266 3.789 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc2oc(C)nc12 620856787 ABZMAJDONMHTPM-UHFFFAOYSA-N 272.348 3.611 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccccc1CC#N 549713371 ROLVIPAMIONXDY-CYBMUJFWSA-N 258.365 3.908 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)c(Cl)c1 276271704 HDDNIZDNXFDGPL-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccc(Cl)s1 620857232 SYWNELSWEMHVJT-UHFFFAOYSA-N 271.813 3.805 30 20 CHED Cc1ccnc(N2C[C@@H](c3ccccc3)C[C@H]2C)c1C#N 542277046 JBBOTHYGIHBGLG-ZBFHGGJFSA-N 277.371 3.644 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCN(c2ccccc2F)C1 462808831 WLYMZPBREFQQIU-JYJNAYRXSA-N 290.426 3.842 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(Cl)ccc1OC)OCC 270029145 DCEUELLAOMBQRH-CQSZACIVSA-N 297.782 3.658 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cc(OC)c(OC)cc1F 467412411 SFWGFLQUGDPRLE-RYUDHWBXSA-N 281.371 3.848 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(C#N)c(Cl)c1 469841059 KUULKYZOGJXHCK-QWRGUYRKSA-N 276.767 3.976 30 20 CHED C=C(CNc1ncccc1-c1nc(C)no1)c1ccccc1 377176163 QFWHTUWBONXSGG-UHFFFAOYSA-N 292.342 3.565 30 20 CHED N#CC1(C(=O)Nc2nc(-c3ccccc3)co2)CCCCC1 282972642 JAKUKVCTDWFPBU-UHFFFAOYSA-N 295.342 3.754 30 20 CHED N#CCC1(CNC(=O)N2CCCC[C@H]2c2ccccc2)CC1 374032092 IUASSSJMQHLTTO-INIZCTEOSA-N 297.402 3.617 30 20 CHED N#Cc1cc(F)ccc1NCCOc1cccc(Cl)c1 462378591 GRDHEUBPQQHZSN-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H](C(C)C)CC1 466366436 HORCDCUUIYVPGB-GJZGRUSLSA-N 266.429 3.809 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(COC2CCCC2)cc1 465250143 GAZFKJMZJKAHIG-ZDUSSCGKSA-N 288.391 3.842 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)N[C@@](C)(C#N)C(C)(C)C 464160442 CDVFUBOPEITXPI-PBHICJAKSA-N 294.439 3.559 30 20 CHED CC(C)(C#N)CCSCc1cc(C#N)ccc1F 289349667 GOZJMGXVRCMAEG-UHFFFAOYSA-N 262.353 3.870 30 20 CHED C=CC[C@H](CC)NC1CCN(CCc2ccccc2)CC1 281690663 SAJNVOJRCIDEGY-SFHVURJKSA-N 286.463 3.638 30 20 CHED CC#CCCCc1nc(Cc2c[nH]c3cccc(C)c23)no1 289111682 JTMAZUACXLUAPE-UHFFFAOYSA-N 293.370 3.796 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@H]1[C@@H]1CCCO1 284732531 KKWABEDXYNPZDP-ROUUACIJSA-N 298.430 3.631 30 20 CHED CCc1c(C(=O)/C=C\c2cnccn2)oc2ccccc12 809152037 BASKROFORNZBFA-FPLPWBNLSA-N 278.311 3.681 30 20 CHED C=CCCCCCCNC(=O)CCc1cccs1 805218555 DIZJPOJJZQMXFI-UHFFFAOYSA-N 265.422 3.933 30 20 CHED COc1cc(F)cc(NN=C[C@@H](C)C(C)(C)C)c1 800814251 RMICBFCMWRJDTK-SNVBAGLBSA-N 252.333 3.914 30 20 CHED C[C@H](OC(=O)c1cnccc1C#N)c1ccccc1Cl 805716519 TXRUFLFHEJOJSF-JTQLQIEISA-N 286.718 3.525 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 293158826 AKKJFXCNKZZXSK-GFCCVEGCSA-N 299.374 3.516 30 20 CHED C=CCCOC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 805659421 OWXNKEWBBQPVPZ-UHFFFAOYSA-N 288.734 3.530 30 20 CHED CC(C)CCc1nc(CSCCO[C@H](C)C#N)cs1 802749509 FRTFYFBGBFRWEQ-GFCCVEGCSA-N 298.477 3.894 30 20 CHED N#CCCC1CCN(Cc2ccc3ccccc3n2)CC1 399293592 BZNKHVZIMAWACC-UHFFFAOYSA-N 279.387 3.751 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(C)c2ccccc12 563320345 QAHMGXQBVIYURC-KRWDZBQOSA-N 266.344 3.570 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2ccc(F)cc21 562364294 KKDVINSTQFVNPV-ZBFHGGJFSA-N 288.366 3.563 30 20 CHED CC#CCCNC(=O)c1ccc(Cl)cc1C(F)(F)F 474179281 TVLNOEQZIOXYSM-UHFFFAOYSA-N 289.684 3.502 30 20 CHED N#Cc1ncccc1N[C@H]1CC[C@H](Cc2ccccc2)C1 567038347 IDRXYELITGSHMP-CVEARBPZSA-N 277.371 3.777 30 20 CHED C=C(C)CCc1noc(-c2cnc(-c3ccccc3)nc2)n1 560457316 QTJFKQRQDQSUAI-UHFFFAOYSA-N 292.342 3.702 30 20 CHED C[C@@H]1/C(=C/c2cccc(OCC#N)c2)C(=O)c2ccccc21 809155671 CVFAXHZKSIBOAR-CYUIRQCWSA-N 289.334 3.972 30 20 CHED C=CCCN(C)C(=O)[C@H](C)c1cccc(Br)c1 293349139 PECWBHSVFBBTLC-LLVKDONJSA-N 296.208 3.587 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)[C@]1(C#N)CC12CCCC2 294761226 ZRXHUMGSVJYCMG-VQIMIIECSA-N 296.414 3.598 30 20 CHED CCCCCOC1CN(c2ccc3cc(C#N)ccc3n2)C1 562356543 JTVMMMHEHVWTAC-UHFFFAOYSA-N 295.386 3.502 30 20 CHED Cc1ccccc1[C@H](NCCO[C@H](C)C#N)C(C)(C)C 801938561 GWKXRHQZFHGKBB-ZBFHGGJFSA-N 274.408 3.601 30 20 CHED Clc1cnc(NN=CCCC2CC2)c(Cl)c1 807952689 MRQGODOOSYPDTB-UHFFFAOYSA-N 258.152 3.976 30 20 CHED C=CCOCCN[C@@H](CC(C)C)c1ccc(OC)cc1 647299491 MPKHTEWVCAEUOO-KRWDZBQOSA-N 277.408 3.575 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 487738170 JKUDQKMPFNDTPF-PVAVHDDUSA-N 299.418 3.514 30 20 CHED Br/C(C=NOCC1CC1)=C/c1ccccc1 814243314 PXHHLWVEBGYEAE-YCWMUYTBSA-N 280.165 3.835 30 20 CHED C=CCN(CCOC)C(=O)C[C@@H](CC)c1ccc(C)cc1 482352749 UMLNNNGLWVFSHM-MRXNPFEDSA-N 289.419 3.540 30 20 CHED C=CCN1C(=O)c2ccccc2NC12CCC(F)(F)CC2 647601758 MDBDUTHWCFLTOZ-UHFFFAOYSA-N 292.329 3.646 30 20 CHED Fc1ccccc1NN=C1CCc2cccnc2CC1 817322719 JFJFLBFMLGEBPC-UHFFFAOYSA-N 269.323 3.568 30 20 CHED CC(C)c1ccc(O[C@H](C)CN[C@H]2CC[C@H](C#N)C2)cc1 566873316 PGOWMLYQZBWSKD-VYDXJSESSA-N 286.419 3.859 30 20 CHED CC1(C)CCCc2cc(C#N)c(N3CCC[C@@H]3CF)nc21 567333736 VHPIHXSYLQAJQB-CQSZACIVSA-N 287.382 3.505 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(C)nc1C 814852879 SMXGVHQFKVKOJB-UHFFFAOYSA-N 275.302 3.813 30 20 CHED C=C(CC)COC(=O)c1ccc2c(c1)CCCCC2=O 811419776 KRZMCBAYWXBIKX-UHFFFAOYSA-N 272.344 3.719 30 20 CHED C#C[C@@H](NC(=O)N[C@H](c1cccs1)C1CC1)C(C)(C)C 811998341 WORUADQPLGOULJ-KGLIPLIRSA-N 290.432 3.546 30 20 CHED CC#CCCNC(=O)c1cscc1-c1ccccc1 562187976 FTYUPIQYQLWPOL-UHFFFAOYSA-N 269.369 3.558 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCSc1ccccc1 488846701 ZPQYNXJVFZIFCC-CQSZACIVSA-N 275.417 3.736 30 20 CHED C=CCCC(=O)N(C)CCOc1ccccc1C(C)(C)C 482855282 ITQJEPKCMROPBX-UHFFFAOYSA-N 289.419 3.788 30 20 CHED C=CCCCCCCCNC(=O)N(C)[C@@H]1CCSC1 812492680 KCKCBCFPFAOBIO-CQSZACIVSA-N 284.469 3.660 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)C(C)(C)CCC2=O 656475787 LWMVSYAFPRTITO-UHFFFAOYSA-N 264.328 3.669 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)C(C)(C)C 813211030 BZTIRTNRWFPFDD-ONGXEEELSA-N 298.308 3.959 30 20 CHED N#Cc1cccc([C@H]2CN([C@H]3C=CCCCCC3)CCO2)c1 815078029 LSPWFRVVXYGFIM-RBUKOAKNSA-N 296.414 3.820 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc(C)cc1C 488863897 YDWYTHRZLKPFSF-QGZVFWFLSA-N 271.404 3.803 30 20 CHED C=C(C)[C@H](N[C@H](CC)[C@H]1CCOC1)c1ccc(F)c(F)c1 480671290 XLULDFONYGYJNZ-XKQJLSEDSA-N 295.373 3.987 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C)nnc1CC 810766475 LQUNFVPVXJAIRT-UHFFFAOYSA-N 289.423 3.604 30 20 CHED C=CCC1(NC(=O)Nc2ccc3c(c2)CCN3)CCCC1 659019515 WZAOKNIUAGYUTK-UHFFFAOYSA-N 285.391 3.665 30 20 CHED CC/C(=C/C(=O)N[C@]1(C#N)CC1(C)C)c1ccc(C)cc1 813300818 NCGYSLMAAIKVEW-BLSFAOBESA-N 282.387 3.597 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2cccnc2)cc1 810194419 BGOHIUWEEKUDIN-CMDGGOBGSA-N 289.338 3.676 30 20 CHED C=CC[C@H](C(=O)NCc1cccc(C)c1)c1ccccc1 487560028 MORHEWSLVPBRGP-SFHVURJKSA-N 279.383 3.971 30 20 CHED CC(=NNc1ncnc2sccc12)c1cc(C)oc1C 725819216 NBBCYLBAPUPVTF-UHFFFAOYSA-N 286.360 3.737 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(CCCC)cc2)cn1 728798329 HGHVJBSCWKJTHM-UHFFFAOYSA-N 278.355 3.658 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 574443639 SHEZEKDTYAFJKR-LBPRGKRZSA-N 289.354 3.597 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2C[C@@]2(C)CC)cc1 579855001 RKZHNJCKIAYQEN-SOLBZPMBSA-N 284.403 3.708 30 20 CHED Clc1ccc(C#CCN2CCC[C@@H]2c2ccccn2)cc1 574509269 BQEILHKQDQVGRY-GOSISDBHSA-N 296.801 3.924 30 20 CHED C=C(C)CN(CC)C(=O)/C=C/c1ccc2[nH]ccc2c1 492316162 FGVZTTUVBPWMLN-SOFGYWHQSA-N 268.360 3.606 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@@H]3C[C@@H]3C2)c1 665955856 DUWLQDBMPXCWEA-ZIAGYGMSSA-N 286.375 3.515 30 20 CHED C=C(C)CN(C)C(=O)/C=C(/C)c1cccc(Cl)c1 588395212 JULMBNUUFVEZFY-WQLSENKSSA-N 263.768 3.778 30 20 CHED CCCCO[C@@H]1C[C@@H](NC(=O)CCCCCC#N)C1(C)C 588160373 JUPFEACMXCGRSK-HUUCEWRRSA-N 294.439 3.560 30 20 CHED c1ccc(OCCCNN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 729147990 PWSGFTSMLQRBML-DDBAPUKQSA-N 298.430 3.857 30 20 CHED C=CCOCC(=O)Oc1ccc(CC)cc1C(C)(C)C 729647634 AOXAYGQHBIUPPN-UHFFFAOYSA-N 276.376 3.655 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 726560506 ZSQGUFSVRDPCOK-HNNXBMFYSA-N 297.402 3.959 30 20 CHED C=CCN(c1nc(C(F)F)nc2ccc(F)cc12)C1CC1 663768917 LEHFNUJSFIPLSL-UHFFFAOYSA-N 293.292 3.861 30 20 CHED CCC[C@H](C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 499318561 HXRPXOUNWFMLIX-AWEZNQCLSA-N 272.392 3.983 30 20 CHED C#C[C@@H](C)N(C)C(=O)C[C@H](C)c1ccccc1C(F)(F)F 491671147 WLKVVMARNMSAFP-NWDGAFQWSA-N 297.320 3.679 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C(\C)C1CC1 732643893 JJRKFBSOXXWABL-WYMLVPIESA-N 261.409 3.938 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3C[C@H]3CC(C)C)[nH]c12 835175014 YIZBDZCICDRQBN-MCIONIFRSA-N 295.386 3.730 30 20 CHED CCCCCCCCN1CCC[C@H](N2CCCC2=O)CC1 839667632 VBHTVEJHMBWLQW-KRWDZBQOSA-N 294.483 3.824 30 20 CHED CCCCCCC(C)=NNc1nccnc1Cl 733079083 SYTKSGKQHMKLRD-UHFFFAOYSA-N 254.765 3.888 30 20 CHED COc1cc(C)c(N=Cc2cccc(OC)c2O)cc1F 588506776 IONAFDOQCQWAIG-UHFFFAOYSA-N 289.306 3.608 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNC(=O)C#CC(C)(C)C 837567943 LYNNTPBGDHWGQU-UHFFFAOYSA-N 297.320 3.680 30 20 CHED COc1cc(Cl)cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 839063943 VAUGARPEEHWLEN-MFKMUULPSA-N 293.750 3.588 30 20 CHED CCCCC(COC)=NNc1c(F)cccc1F 737432906 ABSVBXZXKWUJFO-UHFFFAOYSA-N 256.296 3.569 30 20 CHED C=C(CN[C@H](C)c1cnc(C)s1)c1ccccc1 677754519 FLEBEACHSIDBAS-GFCCVEGCSA-N 258.390 3.816 30 20 CHED CC/C(C)=C/C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 835041719 ZWCWVFAZYHJORU-CFRMROPGSA-N 294.354 3.724 30 20 CHED CCON=C1CC(c2ccc(Br)cc2F)C1 834937637 UPKWSYPZRDFGPY-UHFFFAOYSA-N 286.144 3.858 30 20 CHED C=CCC1(CN[C@@H]2CC[C@@H](C(=O)O)[C@H](C)C2)CCCC1 902271021 YMMODOJRZFWEHN-RBSFLKMASA-N 279.424 3.602 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)c1cccc(CC(C)C)c1 671771194 NGJVURYTFZESGX-KGLIPLIRSA-N 259.393 3.679 30 20 CHED C[C@@H](COC(=O)/C=C/c1ccccc1C#N)c1ccccc1 735130803 AGJMBZFVNXDWNF-RUMSDORHSA-N 291.350 3.918 30 20 CHED Cc1cccc(Cl)c1OC(=O)c1ccc(C#N)cc1 736022759 JTQQELNNYGMFIX-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C=CCC[C@H](C)OC(=O)c1cccc2ccncc12 830109618 WBVDJSBZBWCJGO-LBPRGKRZSA-N 255.317 3.746 30 20 CHED Cc1csc(C(=O)OC[C@H](C#N)Cc2ccccc2)c1 835209841 JLCXRNCLMSUCLH-AWEZNQCLSA-N 285.368 3.596 30 20 CHED Cc1cc(Cl)cc(/C=C2\CCc3c(cnn3C)C2=O)c1 834417521 RLVIOFIVUKMZLR-KPKJPENVSA-N 286.762 3.594 30 20 CHED CCCCCC[C@H](C)C(=O)NCC(C)(C)CC#N 837888513 JHWZRSGWIJBTRS-ZDUSSCGKSA-N 252.402 3.649 30 20 CHED CCN(C(=O)CC1(C#N)CCCCC1)c1nc(C)cs1 597303224 XSFMYHKCUPDOTO-UHFFFAOYSA-N 291.420 3.669 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H](C)SCc1ccccc1 839033718 HQOQUGYFKGRQRU-KGLIPLIRSA-N 276.401 3.653 30 20 CHED COc1ccc(C(C)=NNc2ccccc2)c(F)c1 916245980 QMVMSGHESRFHEU-UHFFFAOYSA-N 258.296 3.670 30 20 CHED N#CCC1(COC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 744277367 IHZDIUWOMFDHAB-UHFFFAOYSA-N 287.403 3.830 30 20 CHED C#CCN(CC)C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 742578043 WEGBNBFKEMBFCH-ZRDIBKRKSA-N 295.304 3.590 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCC[C@H]2CCCF)cc1 595056208 RSNCMHXUYDWTCT-DLBZAZTESA-N 274.383 3.609 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 594005401 JOHLGUXCKBPQCY-ATNYBXOESA-N 298.430 3.678 30 20 CHED C=C(C)CON=Cc1cnc(C2CCCC2)s1 844619091 UQTQQXZZOMDZMK-UHFFFAOYSA-N 250.367 3.727 30 20 CHED C[C@@H]1N(C(=O)c2cccc(C#N)c2)c2ccccc2C1(C)C 598275338 OKBCIAMWMJSCKC-ZDUSSCGKSA-N 290.366 3.885 30 20 CHED CCCN(Cc1ccc(F)cc1)C(=O)C#Cc1ccccc1 747355539 WHXOBNQQSILGPM-UHFFFAOYSA-N 295.357 3.616 30 20 CHED C=CCNc1nc(C(=O)OCCCC2CCCC2)cs1 744552692 YFEHZAXYFMRQNO-UHFFFAOYSA-N 294.420 3.868 30 20 CHED C=C(CNC(=O)CCc1cccc(C)c1)c1ccccc1 672480200 ZRHGHYNLQHSGKD-UHFFFAOYSA-N 279.383 3.757 30 20 CHED CC[C@H](C)CCCCC(=O)N1CCC[C@@H](CC#N)C1 597906335 WWEQJYAEEGDZJY-GJZGRUSLSA-N 264.413 3.745 30 20 CHED Cc1ccc(CNC[C@H](O)CC(C)(C)C#N)c2ccccc12 598728497 TYADJGLPCSYQHB-MRXNPFEDSA-N 296.414 3.539 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593961597 HIKUYOHVZPOESA-BMGDILEWSA-N 298.430 3.822 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1ccn(C)n1 841617962 BMFMFGJSXSUVFK-CYBMUJFWSA-N 284.407 3.618 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1CCc2ccccc2C1 845214794 XWJFBFURWYWHKX-MRXNPFEDSA-N 285.387 3.665 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1snc(Cl)c1Cl 846032999 IIXCSZMXFIFYMO-SSDOTTSWSA-N 291.203 3.631 30 20 CHED CC(C)c1ccc(CN(c2cc(C#N)cnn2)C2CC2)cc1 596063069 QAUCLUQQCPABBY-UHFFFAOYSA-N 292.386 3.641 30 20 CHED N#Cc1sc(NC(=O)/C=C/C2CCCCC2)nc1Cl 841225124 JHPMSMHUGPPPSD-VOTSOKGWSA-N 295.795 3.743 30 20 CHED CCc1ccc(CNc2ccc(OC)c(C#N)c2)s1 846748274 MKTKMHSVKAWQMA-UHFFFAOYSA-N 272.373 3.803 30 20 CHED C[C@H](Cc1ccc2c(c1)CCCC2)NCC(C)(C)C#N 597082006 FEPZBBDHZHKSHW-CQSZACIVSA-N 270.420 3.636 30 20 CHED C=CCN(C(=O)Nc1ccc(OC(F)F)cc1)C(C)C 916706691 AWUVMCLJBJFSHO-UHFFFAOYSA-N 284.306 3.716 30 20 CHED C=C[C@@H](C)ONC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 845634418 SWNWHSMHMSHBJX-TZMCWYRMSA-N 294.395 3.967 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)C1CCC1 747630185 KAZNZDDTLGTNJH-UHFFFAOYSA-N 254.280 3.876 30 20 CHED COCc1cccc(/C=C2\Oc3ccc(F)cc3C2=O)c1 742435234 UORJFMUZEPZCGH-PXNMLYILSA-N 284.286 3.588 30 20 CHED C=CCN(Cc1cccc(C#N)c1)CC1CC=CC1 595297157 PUDSBRJARWLOMV-UHFFFAOYSA-N 252.361 3.512 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NOCc1cccnc1 746587078 CYSVMRLZJUQDDZ-UHFFFAOYSA-N 286.350 3.992 30 20 CHED C=CCc1cc(OCC)cc(CN(C)C2CCCC2)c1O 919938299 IPNRVOBDJUNXLH-UHFFFAOYSA-N 289.419 3.894 30 20 CHED CC(C)(C)[C@@H]1CCCC(=NNC2CCOCC2)CC1 746577841 HZELAHMBQVCXIX-CYBMUJFWSA-N 266.429 3.737 30 20 CHED C[C@]1(C#N)CCCN(C(=O)CCC2CCCCCC2)C1 594338630 BYDOQOGTJSUOJF-QGZVFWFLSA-N 276.424 3.889 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(C)nc1C 595059441 OKODNWDANMWKFE-CYBMUJFWSA-N 264.438 3.658 30 20 CHED C=CCOc1ccc(OC(=O)c2cc(F)ccc2F)cc1 742862042 NARPYNFBUSQMTN-UHFFFAOYSA-N 290.265 3.749 30 20 CHED CC(C)n1ccnc1SCCc1ccc(C#N)cc1 594884059 XWEHIDCHPAZXLH-UHFFFAOYSA-N 271.389 3.670 30 20 CHED C[C@H](CC(=O)N1CCC[C@H](CC#N)C1)C1CCCCC1 597912266 UFENCBSVSUSDRQ-HUUCEWRRSA-N 276.424 3.745 30 20 CHED C=CCCCC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 748330128 NBYUWEKNBOWGML-UHFFFAOYSA-N 297.358 3.872 30 20 CHED C=CCCCC(=O)OCc1c(F)cccc1Cl 748227948 WPBLSHXSHHRYIM-UHFFFAOYSA-N 256.704 3.879 30 20 CHED C[C@@H]1CC(=NNc2ncccn2)C[C@@H](c2ccccc2)C1 749859121 QEUYGNRUPYFPOD-ZFWWWQNUSA-N 280.375 3.848 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1csc(C2CCCCC2)n1 842300871 ZSDOOEICJMIIIF-CYBMUJFWSA-N 292.404 3.896 30 20 CHED CCNC(=O)Oc1cccc(OCCCC(C)(C)C#N)c1 848522619 YMAITMMVIPTINU-UHFFFAOYSA-N 290.363 3.504 30 20 CHED C#CCCCC(=O)O[C@@H]1CCc2c(OCC3CC3)cccc21 758860561 DUPQMKDIHPBIJR-GOSISDBHSA-N 298.382 3.809 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(O[C@@H]2CCOC2)cc1 925879071 TYSZIZUYAKLBFS-CZUORRHYSA-N 288.391 3.595 30 20 CHED COc1ccc(NN=C(C)c2sc(C)nc2C)cc1 750926531 ZOMDAIJXWYJNKD-UHFFFAOYSA-N 275.377 3.605 30 20 CHED C=CCCN(C)C(=O)c1cnn(-c2ccccc2)c1C(C)C 682439266 VDQNOTOENDVPGI-UHFFFAOYSA-N 297.402 3.644 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C#N)C(C)(C)C 755950617 AAFHQZNHNWHLME-CFRMROPGSA-N 290.794 3.798 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@@H]1CC[C@@H](C)C1 759280423 BECVBRQTZBLCRF-CHWSQXEVSA-N 287.359 3.689 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCc2ccccc2C1 683835629 YDOBRDZBKJUJGK-MAUKXSAKSA-N 298.430 3.542 30 20 CHED CCCCCCCCNC(=O)c1ccccc1OCC#N 754853935 KOZXGCCLDWKOCN-UHFFFAOYSA-N 288.391 3.679 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 753414081 URABHACOANQMMZ-HIFRSBDPSA-N 289.375 3.731 30 20 CHED CCCCSCCC(=O)O[C@@H](C)CC(C)(C)C#N 851209054 HWOCFFPPYCTZOM-LBPRGKRZSA-N 271.426 3.781 30 20 CHED C=CCOc1ccc(C=NO[C@H]2CCCCO2)cc1Cl 755816731 VZCOFEOXGWLGKJ-HNNXBMFYSA-N 295.766 3.782 30 20 CHED Cc1ccc(C=NN[C@@H](C)c2ccccc2)c(C)c1 920386255 VNFPFNBFSCQTBS-HNNXBMFYSA-N 252.361 3.988 30 20 CHED CCOc1cccc2cc(C(C)=NOCC(F)F)oc12 758906434 HJRVYDRFEXHFKO-UHFFFAOYSA-N 283.274 3.837 30 20 CHED C=CCCOCCN[C@@H](CCC)c1ncccc1Cl 925629519 NTVGKSLSGPANHA-AWEZNQCLSA-N 282.815 3.759 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1cc(O)ccc1O 757468903 ZJNHFMAWWUQDME-DAXSKMNVSA-N 291.306 3.542 30 20 CHED Cc1cccc2c1OCCC2=NN[C@@H](C)c1ccccc1 920383404 VHUWVNTXZKWFQE-AWEZNQCLSA-N 280.371 3.832 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CC[C@@H]2CC2(Cl)Cl)C1 851083548 KTVXKFHGYNOHEE-MXWKQRLJSA-N 290.190 3.586 30 20 CHED CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3cccs3)cc21 759122896 XHLBEDWDIQSVON-VURMDHGXSA-N 297.379 3.874 30 20 CHED CN(Cn1ccc(-c2cccs2)n1)c1ccccc1C#N 754758869 JBCLIHFTHZJRDW-UHFFFAOYSA-N 294.383 3.577 30 20 CHED C#CCN(Cc1ncc(CC)s1)[C@@H]1CCc2ccccc21 753527700 QZYBJWVZMLCSDB-QGZVFWFLSA-N 296.439 3.828 30 20 CHED CC[C@@H](C#N)OC(=O)CSc1ccc(C(C)C)cc1 753413847 RALUWOVKVIPBKH-ZDUSSCGKSA-N 277.389 3.747 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CC23CCC3)n1 759852281 XEUGBXCKXXALTF-WDEREUQCSA-N 274.389 3.633 30 20 CHED N#Cc1ccc(F)cc1CN(CCc1ccccc1)C1CC1 759331108 VUVITFXHEAWSOW-UHFFFAOYSA-N 294.373 3.904 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCCCCCCSC)C1 852250943 QLBALYTVYKCUEG-OAHLLOKOSA-N 298.496 3.908 30 20 CHED CC(C)[C@H]1CCCC(=NNc2ncc(Cl)cn2)C1 857221288 XLKUTPYMYCVTJU-JTQLQIEISA-N 266.776 3.744 30 20 CHED C[C@H](C=NNc1ncc(F)cn1)CC1CCCCC1 758128930 MHPWEMCASXYIQW-NSHDSACASA-N 264.348 3.620 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1CCCN1C(C)C 935833026 QBIFECOSZXQRTC-KRWDZBQOSA-N 286.419 3.617 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 750901591 UNXAHVJPNNWLMF-WEVVVXLNSA-N 285.274 3.938 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](CCC)c1ccccn1 931982605 QXTZNARDMSGLTI-UKRRQHHQSA-N 260.381 3.641 30 20 CHED CSC(C)(C)CC=NNc1ccnc(Cl)c1 853395240 QBGCZWXXBLWINY-UHFFFAOYSA-N 257.790 3.664 30 20 CHED Cc1c(C#N)cccc1NC(=S)N[C@@H]1CCCC[C@H]1C 769794767 HCBRLRDIIYNHRL-BXUZGUMPSA-N 287.432 3.732 30 20 CHED C#CCCc1noc([C@@H](C)CCc2ccccc2F)n1 762009668 AGVFOFNKKXVHIV-LBPRGKRZSA-N 272.323 3.511 30 20 CHED CCCC(=CC(=O)N[C@@](C)(C#N)C(C)(C)C)CCC 766586223 CSAXBISMLNRJKZ-INIZCTEOSA-N 264.413 3.958 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1ccncn1 760350620 BQPQXIQRWZFLOY-GJZGRUSLSA-N 285.391 3.649 30 20 CHED C=CCCCCNC(=S)Nc1ccc(C(C)=O)cc1 769759910 JGHFPUNPKBFMQK-UHFFFAOYSA-N 276.405 3.532 30 20 CHED C=CCC[C@@H](CC)NC[C@](C)(O)c1ccccc1Cl 765673961 CERSGUXXMWVDMN-CJNGLKHVSA-N 281.827 3.882 30 20 CHED CC(CCc1ccc(F)cc1)=NOCC(F)(F)F 764846696 NMERQYZJQFYZJQ-UHFFFAOYSA-N 263.234 3.713 30 20 CHED CC(=NOCCN1CCCCC1)c1cc2ccccc2o1 766685807 TZLIZNYZCCPRSK-UHFFFAOYSA-N 286.375 3.659 30 20 CHED COc1ccsc1/C=C/C(=O)C1CCCCC1 764432103 IBPPFQVLUBUXEB-BQYQJAHWSA-N 250.363 3.919 30 20 CHED COc1ccsc1C(=O)/C=C/c1cccc(OCC#N)c1 769744017 CONPVZDGZHBIHV-AATRIKPKSA-N 299.351 3.555 30 20 CHED CC(C)(C)CCCCNC(=O)Cc1ccccc1CC#N 776897998 MYYNDXOTZNPJSZ-UHFFFAOYSA-N 286.419 3.628 30 20 CHED CCC(CC)CNN=C(C)c1c(Cl)nc2sccn12 774473016 JRFANUWSGYKXAZ-UHFFFAOYSA-N 298.843 3.799 30 20 CHED Oc1cccc(C=Nc2ccc(C3CC3)cc2)c1O 771521223 RZSUCWWFCQGDCZ-UHFFFAOYSA-N 253.301 3.726 30 20 CHED CC#CCCNCc1cc(Cl)ccc1Br 163426520 MNXMHNUWMACOQP-UHFFFAOYSA-N 286.600 3.606 30 20 CHED C#CCCCCCCN[C@H]1CCO[C@H](C(C)(C)C)C1 877123584 LURHWJTZWAYMIG-HOTGVXAUSA-N 265.441 3.753 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)c(F)c(F)c1F 871269955 WEHCOTNOAWMTJC-CYBMUJFWSA-N 275.245 3.784 30 20 CHED N#C[C@@H](OC(=O)c1ccnc2ccccc12)C1CCCCC1 776363207 HFCXCGQPKPCJPK-QGZVFWFLSA-N 294.354 3.864 30 20 CHED CCCCC[C@H](CC)C(=O)N[C@H](C#N)CC(C)C 775695587 NYLOHAFBPCYHTM-KBPBESRZSA-N 252.402 3.647 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ncc(C2CCCCC2)s1 770652669 KYBNBHLFOWTZPF-NSHDSACASA-N 291.420 3.676 30 20 CHED C=CCN(C(=O)/C=C(/CC)c1ccc(C)cc1)C1CC1 771827334 GEWFNUZUPHXIQK-SQFISAMPSA-N 269.388 3.965 30 20 CHED CCC(CC)CNN=C1CCCc2nc(C)sc21 774463210 QAEMFAKJWMWEFZ-UHFFFAOYSA-N 265.426 3.518 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc2c1OCCO2 773431667 RMIGNOIVMXAJFP-CQSZACIVSA-N 275.392 3.682 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)nc1 773030555 SPSBISXHBGKFSG-SNVBAGLBSA-N 289.741 3.597 30 20 CHED C=CCN(Cc1cccs1)C(=S)NC(C)(C)CC 774153774 UODVAQVGFUIAMJ-UHFFFAOYSA-N 282.478 3.799 30 20 CHED C=CCN(CC=C)C(=O)c1cc(Cl)c(Cl)nc1C 385726814 JYNDYMQBBVMKHD-UHFFFAOYSA-N 285.174 3.511 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1C[C@H]1c1ccc(F)cc1 788321247 PLFMDOHMFJTJIC-VRRLJYGRSA-N 285.318 3.515 30 20 CHED CC(C)(C)CCNN=Cc1ccc(Oc2cnccn2)cc1 782903006 MXBMRUUTULIEBL-UHFFFAOYSA-N 298.390 3.629 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1ncccc1C 783873425 YGXNHZKOBJHMMK-UHFFFAOYSA-N 296.370 3.540 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc2sc(C)nc2c1 781199846 DWYHKEFTUCVZFE-SNVBAGLBSA-N 290.388 3.524 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 782231410 VCCAOOCBZYYCBW-HUUCEWRRSA-N 289.350 3.802 30 20 CHED CCCC(CC)=NNc1nnc(-c2ccccn2)s1 788027786 WCMWCMWXOUUEML-UHFFFAOYSA-N 275.381 3.578 30 20 CHED CC1(C)CC[C@@H](C(=O)OCc2ccc(C#N)cc2F)C1 781700630 YJEBNIKYJADCAR-GFCCVEGCSA-N 275.323 3.567 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(N(C)C(=O)CC)cc1 882069349 POHKYZMTTIAQEE-QGZVFWFLSA-N 288.391 3.600 30 20 CHED CCc1ccccc1NN=C(COC)C1CCCC1 780212037 UHPVDORYWJFEPP-UHFFFAOYSA-N 260.381 3.854 30 20 CHED C[C@@H]1CCCC(=NNc2ncnc3sccc23)[C@@H]1C 781121653 LVYZEOMFGYGOAB-NXEZZACHSA-N 274.393 3.915 30 20 CHED N#CCCCOC(=O)c1c(Cl)cccc1C(F)(F)F 885413853 JKNYFJUPBSOWQH-UHFFFAOYSA-N 291.656 3.819 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)Cc1ccccc1CC#N 1127599369 QMLUGLDTPBKXMI-SFHVURJKSA-N 298.430 3.722 30 20 CHED Cc1cc(COC(=O)[C@H](C)c2cccc(F)c2)ccc1C#N 783879467 CROUKERYVBORRD-CYBMUJFWSA-N 297.329 3.853 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)CC(C2CCC2)C2CCC2)C1 1122735262 JRFLLQKSAGLPEQ-WFASDCNBSA-N 275.392 3.828 30 20 CHED CN(C)[C@H]1CCCC(=NNc2nccc3sccc23)C1 788425396 HFUZALLTXRDRCU-LBPRGKRZSA-N 288.420 3.568 30 20 CHED C#CCCCCCC(=O)NCCC1CCC(F)(F)CC1 890060598 ZKXDIMKKBFIJRS-UHFFFAOYSA-N 285.378 3.902 30 20 CHED CCc1nc(C=NNc2ccc(Cl)c(OC)c2)cs1 788468001 NNCISGNXQVNQMN-UHFFFAOYSA-N 295.795 3.814 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C[C@H]1CCCC[C@H]1C 783836224 XDUHXKGQHOYNFM-VXGBXAGGSA-N 291.351 3.827 30 20 CHED C#CCCOc1ccc(CNc2cnn(C3CCC3)c2)cc1 897877197 ZEPGURKJFIJTNL-UHFFFAOYSA-N 295.386 3.622 30 20 CHED COc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1C 780189313 ZMZXNLZTIJQSJU-ZSOIEALJSA-N 280.323 3.532 30 20 CHED Cn1c([C@@H](C#N)C(=O)[C@@H]2CCC(C)(C)C2)nc2ccccc21 781752169 VIFBGDJDSQIPHR-OLZOCXBDSA-N 295.386 3.576 30 20 CHED C=C(Cl)CNCCCCCOc1ccccc1 783656629 YKEFLMXWUKEWCZ-UHFFFAOYSA-N 253.773 3.578 30 20 CHED CCCCCCCCCS(=O)(=O)c1nccs1 790168476 XJWSJKVIGPWIQP-UHFFFAOYSA-N 275.439 3.667 30 20 CHED C=CCNC(=S)N(CCC(C)C)c1ccc(OC)cc1 795018770 WJMRLGWJDKLBRQ-UHFFFAOYSA-N 292.448 3.608 30 20 CHED C[C@@H]1COCCC1=NNc1c(Cl)cc(F)cc1Cl 794525832 HZMYKVZERIVFHD-SSDOTTSWSA-N 291.153 3.957 30 20 CHED C#C[C@H](CC)/N=C\c1cc(Cl)cc(Cl)c1O 792570974 VPBCYDJQNJDBGI-CBQSTYFFSA-N 256.132 3.530 30 20 CHED CC(=NNc1cccnn1)c1cccc(CC(C)C)c1 794909078 QEFNIQUSHKIONR-UHFFFAOYSA-N 268.364 3.511 30 20 CHED COCCCON=Cc1ccc(-c2cccs2)cc1F 795056242 WFBYSQPZQKJBKS-UHFFFAOYSA-N 293.363 3.941 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)NCC2(CC#N)CC2)cc1 797566034 SJFFQKYLEPEIDL-TWGQIWQCSA-N 296.414 3.807 30 20 CHED Cc1cc(/C=C2\COc3cc(F)ccc3C2=O)cc(C)c1O 794726364 BPRVQLZXOMVJOC-NTUHNPAUSA-N 298.313 3.807 30 20 CHED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccnc(O)c1 791431622 JDGMLXAHHNJEMB-UTCJRWHESA-N 293.244 3.702 30 20 CHED C=CCCCCN1CCO[C@@H](c2ccccc2F)C1 581529307 GBGNMHFOLQUYFD-MRXNPFEDSA-N 263.356 3.555 30 20 CHED C=CCCCN1CCCC[C@H]1[C@@H](O)c1ccccc1 735490077 CEUPLCBEIKMNTI-IRXDYDNUSA-N 259.393 3.541 30 20 CHED CC[C@H](C)CON=Cc1csc(C(C)(C)C)n1 793159722 QVJORHDDPCCHIH-JTQLQIEISA-N 254.399 3.837 30 20 CHED C=C(C)COC(=O)c1ccc(COc2ccc(F)cc2)o1 794938768 TVQNCFCGHLANLI-UHFFFAOYSA-N 290.290 3.731 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1ccc(SC)o1 799444397 OLOAYYQATSPLKL-UHFFFAOYSA-N 287.340 3.655 30 20 CHED Fc1ccc(NN=CCc2cccc(Cl)c2)nc1 794908970 MDVIUENWUPTHNS-UHFFFAOYSA-N 263.703 3.515 30 20 CHED N#Cc1ccc(CNC[C@H]2CSc3ccccc32)cc1 92274927 WNHJKDZDRWWDLM-HNNXBMFYSA-N 280.396 3.537 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C(=O)O)cc1 1204156404 BDFWABLJLSPEPO-UHFFFAOYSA-N 281.355 3.573 30 20 CHED C[C@H]1CN(Cc2ccc(Cl)cc2C#N)c2ccccc2O1 1307480481 VUGYIGHQSRVVRJ-LBPRGKRZSA-N 298.773 3.999 30 20 CHED CC(C)CN(CC(C)C)c1ncc(C#N)cc1Cl 1163577147 SHRCIVJSSLSFET-UHFFFAOYSA-N 265.788 3.725 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(C#N)c(F)c2)cc1C 1310842708 XDBWYZRNGULUIQ-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CCSc1ccc(CNCc2ccc(C#N)cc2)cc1 1657884192 JXPYXNQSTIAOCY-UHFFFAOYSA-N 282.412 3.960 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccccc1Cl 1646300176 RHAVSYXEBQFJIY-UHFFFAOYSA-N 268.747 3.774 30 20 CHED C=C[C@H](COC)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 1325620114 PMCJQOXWPQXOCQ-BZZMCLGOSA-N 273.420 3.749 30 20 CHED C#CCN(CC1CC1)C(=O)/C(C)=C/c1cccc(Cl)c1 1324612100 PXVTXAMRVJNPHO-JLHYYAGUSA-N 287.790 3.615 30 20 CHED Cc1cc(NCC2(c3ccccc3C)CC2)ncc1C#N 1185188799 XPLDESLBEKHOJA-UHFFFAOYSA-N 277.371 3.714 30 20 CHED CCCCCCCCC/C=C\C(=O)N1C[C@@H]2C[C@]2(CO)C1 1338655974 KRKHKXOPLGRKJZ-HOECOULBSA-N 293.451 3.524 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1c(C)cc(Cl)cc1C 1332537968 IEUIXLOPTASQJZ-SNVBAGLBSA-N 268.744 3.584 30 20 CHED N#Cc1ccc(NN=C2CC[C@H](Cc3ccccc3)C2)nc1 1330908811 AVBFZRYPQYWMLW-OAHLLOKOSA-N 290.370 3.764 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1CCO 103216878 LVIRUTSUMDFKNM-OAHLLOKOSA-N 269.429 3.501 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(F)cc2O)ccc1F 1335667460 XLNGXVPSZRWKBB-CLTKARDFSA-N 290.265 3.575 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C1CCC(F)(F)CC1 1262809574 JWQANVGOCXIANT-ZDUSSCGKSA-N 271.351 3.769 30 20 CHED CC[C@H](C#N)N(CC)C(=O)Cc1cc(Cl)cc(Cl)c1 1439679271 KAQALIVSLQAMTQ-CYBMUJFWSA-N 299.201 3.687 30 20 CHED N#CC[C@H](OC(=O)[C@H](c1ccccc1)C1CC1)c1ccco1 1350311057 DWAUBTMKZGHPGL-DLBZAZTESA-N 295.338 3.971 30 20 CHED Cc1cc(C#N)cc(NC(=O)C(CC(C)C)CC(C)C)n1 1436508277 VCEQJACDKVYXAN-UHFFFAOYSA-N 287.407 3.909 30 20 CHED CCCCCCCNC(=O)c1c(F)ccnc1Cl 1352451593 DPWBNKYSIWKUGB-UHFFFAOYSA-N 272.751 3.574 30 20 CHED C[C@@H](OC(=O)c1oc(C2CC2)nc1C(F)F)C(C)(C)C#N 1517457452 IOWBFPYLALXQFR-SSDOTTSWSA-N 298.289 3.585 30 20 CHED Cc1ccc2cccc(NC(=O)c3csc(C#N)c3)c2n1 1528182938 KFLNZARWCHYFLJ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#Cc1ccc(NC(=O)N2C[C@H]3CCCC[C@H]32)c(Cl)c1 1465888562 NEFVVBFFVBPWON-BXUZGUMPSA-N 289.766 3.618 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1ccc(C#N)cc1F 226183025 PFJWZRFPDYWYEU-WQGACYEGSA-N 260.356 3.612 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2ccsc2Cl)cc1 1608871100 FDWSBOSTLVKQGS-AATRIKPKSA-N 292.743 3.996 30 20 CHED CCCCCCCCN[C@]1(C(=O)O)CC[C@@H](C)CC1 1605266253 BNEXSXOACWCSNH-KOMQPUFPSA-N 269.429 3.970 30 20 CHED CCCC[C@@H](SCC#Cc1ccc(F)cc1)C(=O)O 1605251075 PHIRANDVPXJHAS-CQSZACIVSA-N 280.364 3.554 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1ccc(CC#N)cc1)CC2 1464958636 MCSPLHLYZWLMNP-UHFFFAOYSA-N 291.354 3.656 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1cc(C#N)ccc1F 1537623221 AKRNOUDVDSTQNT-JRPNMDOOSA-N 275.323 3.679 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1F 1535455276 JQZPZCJXENDCJG-OLZOCXBDSA-N 274.339 3.852 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2nc(CC)sc2c1 1476795038 OYLNHCYQCOCNFD-UHFFFAOYSA-N 295.795 3.733 30 20 CHED CCCCC1CCC(NC(=O)NCC(C)(C)CC#N)CC1 1477574905 VKWDPGDKLYFRLZ-UHFFFAOYSA-N 293.455 3.974 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2ccc(C#N)cn2)C1(C)C 1472832713 KOEWJEVIMBKRKX-AWEZNQCLSA-N 271.408 3.994 30 20 CHED CC1(C)CCN(c2ncc(C#N)cc2F)CC(C)(C)C1 1472828822 YWRHAEPXGIOMJP-UHFFFAOYSA-N 275.371 3.745 30 20 CHED COc1ccccc1CSc1cc(C)ncc1C#N 1559110724 LUKNLWMEZMZDOS-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1Cc1cc(C#N)ccc1OC 1559647537 JYADYDDMMNTUBP-RHSMWYFYSA-N 286.419 3.967 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)c1cc(F)c(C#N)c(F)c1 1625863959 SEMXZHKGXVCYMM-QFYYESIMSA-N 292.329 3.535 30 20 CHED C=C(C)CNCc1cc(Cl)c(OC)cc1Cl 119659281 UPSKNHMUJYFKND-UHFFFAOYSA-N 260.164 3.668 30 20 CHED CCO[C@H]1C[C@H](Nc2ccc(C#N)c(C)n2)C12CCCCC2 1559105055 GQJLWHXMZWMKQK-HOTGVXAUSA-N 299.418 3.802 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1ccc(F)c(C#N)c1 229592725 DUWSVZNZHYWRET-XJKSGUPXSA-N 260.356 3.756 30 20 CHED CC[C@@H](C#N)C(=O)N(C)c1ccc(-c2ccccc2)cc1 1566159195 XKAPKEZPSUSXHP-AWEZNQCLSA-N 278.355 3.866 30 20 CHED N#Cc1cnc(NCC2(c3ccccc3)CCC2)c(F)c1 1639223724 CUQNSBKQLJDZPF-UHFFFAOYSA-N 281.334 3.626 30 20 CHED CCc1ccc2c(c1)CN(Cc1cccc(C#N)c1)CC2 1560241918 SWMFKPIEVRJNNF-UHFFFAOYSA-N 276.383 3.679 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NCCc2ccc(C#N)cc2)C1 1646205341 VVZUKKQRBJOIHG-MPGHIAIKSA-N 270.420 3.905 30 20 CHED CC[C@H]1CCC[C@H]1NCc1cc(Cl)ccc1OCC#N 1645282732 UGWBCYHCKGHKBT-SWLSCSKDSA-N 292.810 3.911 30 20 CHED Cc1c(Cl)cnc(Sc2ccccc2O)c1C#N 1652111905 XVCKSRYYMMKJEB-UHFFFAOYSA-N 276.748 3.772 30 20 CHED C=C(Cl)CNCc1ccc(-c2ccccc2F)o1 1650316947 XFGOIOQRAMFTAP-UHFFFAOYSA-N 265.715 3.928 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC[C@H](O)c1cccc(C#N)c1 1654231871 OZUMGCLLEZFNGK-NXHRZFHOSA-N 286.419 3.540 30 20 CHED CC1CCC(c2noc(-c3cccc(C#N)c3)n2)CC1 230997676 NVSUGEZRCBHHGM-UHFFFAOYSA-N 267.332 3.902 30 20 CHED CCOc1ccc(CN(CC2(CC#N)CC2)C(C)C)cc1 1653255771 OMJZVPRPNMKONY-UHFFFAOYSA-N 286.419 3.990 30 20 CHED C[C@H](C(=O)O)c1cccc(Nc2cc(F)ccc2C#N)c1 1589540389 WYBMTVJKWPQLEN-JTQLQIEISA-N 284.290 3.629 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2F)c(C)c1 1596928230 BDIZGFBTGOXPFJ-UHFFFAOYSA-N 282.318 3.875 30 20 CHED CC(C)c1cc(O)cc(C=NNc2cccc(C(=O)O)c2)c1 1776037965 LQAFLXZVKMJWJF-UHFFFAOYSA-N 298.342 3.660 30 20 CHED O=C(O)/C=C/c1ccc(/C=C/C(=O)c2cccc(F)c2)cc1 1776129344 FXBSKQBUZSEWCP-GFULKKFKSA-N 296.297 3.820 30 20 CHED Cc1cc(C)cc(C=NNc2cccc(C(=O)O)c2C)c1 1776086543 AELMLOJLFWOBFK-UHFFFAOYSA-N 282.343 3.756 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(C#N)c2)C1(C)C 16467535 FVJPADMKUHRJGT-GJZGRUSLSA-N 268.360 3.735 30 20 CHED CC[C@H](C)NC(=O)[C@H](Sc1cccc(C#N)c1)C(C)C 158661582 JUOSQJUKQJOVLL-SWLSCSKDSA-N 290.432 3.590 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccoc1 163783323 DLWVVTUPVOGASM-UHFFFAOYSA-N 295.791 3.752 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H](C)c1ccccc1F 153631858 OWKMQDLYQGASTK-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C=C[C@@H](C)NCc1csc(COc2ccc(C)cc2)n1 153655093 WIYQYODMUZUSMM-CYBMUJFWSA-N 288.416 3.695 30 20 CHED N#Cc1ccc(CN2CCCc3ccccc32)cc1F 260833310 QPSDFZQMHPELOY-UHFFFAOYSA-N 266.319 3.650 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1O 36991928 SQUYPRBQLXODON-OLZOCXBDSA-N 266.344 3.676 30 20 CHED Cc1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1F 161397778 PWLGLKBGTWHIJD-UHFFFAOYSA-N 288.347 3.936 30 20 CHED C[C@H](NCCC(C)(C)C)c1ccc(OCC#N)cc1 163953162 FABZQXYRMWHAAU-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED CN(CCS[C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 295126341 BRGPFSGYGKMAJM-HZPDHXFCSA-N 274.433 3.544 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1 313467603 USCRWLIIKGONGL-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=CCCC1(C(=O)N(CC)Cc2ccccc2)CC1 353828251 RGXQNUPEQIIVDT-UHFFFAOYSA-N 257.377 3.782 30 20 CHED C=CCC[C@H](CO)N[C@@H]1CC[C@@H](C)c2ccccc21 320600550 FDFIPVNEUUYGHB-CKEIUWERSA-N 259.393 3.542 30 20 CHED Cc1csc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)n1 80274345 OSZIVEHSKDQJFP-RYUDHWBXSA-N 271.389 3.735 30 20 CHED C=CCC(C)(C)CN[C@H]1C[C@@H](OCC)C12CCC2 336796209 QLODEILKZBVHKE-UONOGXRCSA-N 251.414 3.526 30 20 CHED C=C[C@@H]1CCCCN1Cc1c(Cl)cccc1[N+](=O)[O-] 489399261 GLTMIIHNVZAGTH-LLVKDONJSA-N 280.755 3.789 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC(=C)Cl 792951105 DJAMREBCRLWLHN-UHFFFAOYSA-N 278.783 3.527 30 20 CHED CCc1cccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 7344590 LHDHIFYGJWNFTO-ZDUSSCGKSA-N 294.354 3.527 30 20 CHED CC[C@H](CC#N)NCc1c(Cl)cccc1Cl 54182591 LWGPCTYVYCYVFC-SECBINFHSA-N 257.164 3.775 30 20 CHED N#Cc1ccccc1CNc1ccc(Br)cc1 20051718 CHAZUFORMHWNSN-UHFFFAOYSA-N 287.160 3.933 30 20 CHED Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)s1 50225351 FCJITAABGUVOQG-LBPRGKRZSA-N 256.374 3.779 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(OCC(C)C)cc2)cn1 106586767 OAYVQAUZYHOOQN-JXMROGBWSA-N 298.386 3.834 30 20 CHED C=C(CNCc1ccc(F)cc1F)c1ccccc1 110057667 USDQBFKYQHRVIZ-UHFFFAOYSA-N 259.299 3.768 30 20 CHED CCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 102737377 RSTIFJZNRPGCEL-UHFFFAOYSA-N 294.354 3.876 30 20 CHED CC(C)c1ccc(SCC(=O)N(C)C[C@H](C)C#N)cc1 63747022 NJVXVPNZENWTGQ-CYBMUJFWSA-N 290.432 3.520 30 20 CHED C=CC1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 111259481 NRWAIISGUCQKSK-NSHDSACASA-N 289.404 3.757 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SCC1CCC1 172917570 OOQVEFYCPAMTBR-UHFFFAOYSA-N 299.443 3.947 30 20 CHED N#Cc1ccc(OCCNC2(c3ccccc3)CCC2)cc1 64343723 IPSXNXQTXAKRED-UHFFFAOYSA-N 292.382 3.606 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 119816767 CSDNQYZEENTEPG-GFCCVEGCSA-N 292.448 3.811 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](Nc1nccnc1C#N)CC2 302389617 HZSPPPPTXHLLHY-HNNXBMFYSA-N 278.359 3.571 30 20 CHED CSC(C)(C)C/N=C/c1cc(Cl)ccc1O 174445216 AACRHWOKXCDGBI-VGOFMYFVSA-N 257.786 3.606 30 20 CHED Cc1ccccc1OCCCC(=O)Nc1cccc(C#N)c1 20261546 NDQMPLGTERSCGU-UHFFFAOYSA-N 294.354 3.664 30 20 CHED CC[C@@H](c1ccccc1)[S@@](=O)Cc1ccc(C#N)cc1 178109761 XUEJEGKBVZTHKD-PXNSSMCTSA-N 283.396 3.958 30 20 CHED N#Cc1cccnc1NC[C@H](c1ccccc1)C(F)(F)F 302518633 YLYJSMBOQCZBJA-CYBMUJFWSA-N 291.276 3.711 30 20 CHED C=C(C)CCc1noc(Cc2ccccc2Cl)n1 508643223 FJUVZVWDFBPLOG-UHFFFAOYSA-N 262.740 3.823 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cnc(CC)s1 112183700 MDBFOGAQOLFRRW-UHFFFAOYSA-N 292.448 3.914 30 20 CHED COc1ccc([C@@H](NCc2ccc(C#N)s2)C2CC2)cc1 176943740 NGYPHFXZEIAQTF-KRWDZBQOSA-N 298.411 3.869 30 20 CHED C=CCNC(=O)c1ccc(NCc2ccccc2C)cc1 37783525 IZFNODVGWNLKIQ-UHFFFAOYSA-N 280.371 3.523 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1c(F)cccc1F 177866090 RHVGJJKCBANCQG-SECBINFHSA-N 271.332 3.601 30 20 CHED C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC(C)(C)C1 409720475 NBHLPAIUKZEZBT-SNVBAGLBSA-N 297.324 3.844 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)C(=O)NCCCCC#N 170886658 PEKXFWFUMXMCPU-LBPRGKRZSA-N 293.798 3.736 30 20 CHED COc1cc(F)c(F)cc1NCc1cc(C#N)cs1 353225978 YLXVKWPRNDRUAU-UHFFFAOYSA-N 280.299 3.519 30 20 CHED C=C(C)CN(CC)C(=O)/C=C(\C)c1ccccc1OC 170751071 NMBOSYQOKGHFHA-SDNWHVSQSA-N 273.376 3.523 30 20 CHED COc1c(C)cc(C(=O)Nc2cc(C#N)ccc2C)cc1C 179884686 NVUMVRSKHSJTSF-UHFFFAOYSA-N 294.354 3.744 30 20 CHED N#Cc1ccc(CNc2cccc(Oc3ccccn3)c2)o1 181435835 CKPWFJYOCFYISD-UHFFFAOYSA-N 291.310 3.951 30 20 CHED Cc1cc(NC[C@@H]2CCC(F)(F)C2)c(C#N)cc1[N+](=O)[O-] 413267906 LYPPXJKUIHYVCY-SNVBAGLBSA-N 295.289 3.622 30 20 CHED CSc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 31435828 DSMGGJRUQLJPPK-GFCCVEGCSA-N 296.395 3.771 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1ccc(Cl)cc1 33371890 VXUPKQBNHDLETK-WTKPLQERSA-N 258.704 3.942 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2cc[nH]c2c1 63962111 HKRDJSUCKXBWSH-UHFFFAOYSA-N 275.311 3.600 30 20 CHED N#Cc1ccc(NCC2(c3ccc(F)cc3)CC2)c(F)c1 506851679 PWJPUJMRDXCYQA-UHFFFAOYSA-N 284.309 3.980 30 20 CHED CC(C)c1cnc(CNc2ccc(CC#N)cc2)s1 185151853 WBMQRJMBHXTYRF-UHFFFAOYSA-N 271.389 3.945 30 20 CHED C[C@@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)o1 185085625 LHVNIZDOLVDOAW-ACJLOTCBSA-N 280.371 3.955 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 184126279 NXEHINIIHOUYID-ZDUSSCGKSA-N 296.370 3.568 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(c2ccc(F)cc2F)CC1 188553232 DQGNNJCSGWBFAT-MRXNPFEDSA-N 293.357 3.715 30 20 CHED N#Cc1ccc(Oc2ccc(Br)c(F)c2)nc1 78528567 LVYARZVUIBENGL-UHFFFAOYSA-N 293.095 3.647 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(F)c2)cnn1C(C)C 188880390 ZKVPHWMCVULEGX-BQYQJAHWSA-N 272.323 3.808 30 20 CHED C=CCC[C@@H](C(=O)NCCCSC)c1ccccc1 188120761 BENINMQCGJDCIN-OAHLLOKOSA-N 277.433 3.606 30 20 CHED C=CC[C@H](C(=O)NCC1(C2CC2)CC1)c1ccccc1 188777404 LIYPCSHBRQZSIA-INIZCTEOSA-N 269.388 3.653 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1cnc2ccccc2c1 187594987 KIBMAGHKKBGOJM-SFHVURJKSA-N 299.370 3.507 30 20 CHED C=C(C)CN[C@H](C)c1ccc(F)c(Br)c1 153386750 KTVWKSLWBBRCNY-SECBINFHSA-N 272.161 3.815 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(C)on1 414297896 HUGGJDCGGWXJQE-HOCLYGCPSA-N 270.376 3.821 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)CCc1ccccc1 508876574 YEHIIOKADQVXNA-HNNXBMFYSA-N 298.434 3.657 30 20 CHED CC(C)c1ccccc1NC(=O)NCC1(C#N)CCC1 416739219 VMOHEMFWHRWZKS-UHFFFAOYSA-N 271.364 3.625 30 20 CHED C#CCCSc1ccc(C#N)c(C(F)(F)F)c1 181054969 HTNDIKSTDLSTPY-UHFFFAOYSA-N 255.264 3.692 30 20 CHED CC[C@@H]1C[C@]1(NCCCCC#N)c1cccc(C)c1 502488155 WSUZNCZFFNQKPO-NVXWUHKLSA-N 256.393 3.904 30 20 CHED C#CCOc1ccccc1NC(=O)CCCc1ccccc1 187183752 XMWGFKBGAXLMCZ-UHFFFAOYSA-N 293.366 3.660 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnc(C(C)(C)C)s1 410127265 KYEJCVJTXOTUHD-JTQLQIEISA-N 266.410 3.525 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H](C)CC(F)(F)F 413749206 PCHDSMHAYQSERH-GFCCVEGCSA-N 294.361 3.963 30 20 CHED N#CCCCC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 412600602 JCTSKYRLESYGNS-UKRRQHHQSA-N 290.794 3.786 30 20 CHED N#CC1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 419029968 ZDDOOJOQKKIBOD-UHFFFAOYSA-N 299.252 3.719 30 20 CHED C[C@H](Nc1ccc(F)cc1OCC#N)c1cccc(C#N)c1 188190008 XLMBILYDKDCQLX-LBPRGKRZSA-N 295.317 3.773 30 20 CHED C=CCC1(C(=O)NCc2ccccc2COCC)CCC1 188335164 IGPQNVHBZWUKGS-UHFFFAOYSA-N 287.403 3.586 30 20 CHED CC(C)(CC#N)CN[C@H]1CCc2ccc(Cl)cc21 414163433 IPVKPZAUHNYOBS-AWEZNQCLSA-N 262.784 3.857 30 20 CHED C=CCCN[C@H](C)c1ccc(OCC)c(OCC)c1 181388055 RXHFCOKRKSJINZ-CYBMUJFWSA-N 263.381 3.711 30 20 CHED CCC[C@H](C#N)N(C)C(=O)Cc1ccc(C(C)(C)C)cc1 410823901 BFYFGCDCQNPASA-MRXNPFEDSA-N 286.419 3.677 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CCC)CC1CC1 181099003 SGLZCLKWJWZMCC-CYBMUJFWSA-N 252.402 3.563 30 20 CHED COc1ccc(OCCC2(C#N)CCCCC2)cc1OC 418884523 FSBNFEJOUQDVIG-UHFFFAOYSA-N 289.375 3.947 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc2c(c1)CCO2 48625205 RZZRLJOZCHCXFR-VURMDHGXSA-N 264.324 3.826 30 20 CHED CC1(C)CC[C@H](/C(O)=N/[C@@H]2CCC(O)=NC23CCC3)C1 328688350 HPVRFONBPSECGR-NWDGAFQWSA-N 278.396 3.811 30 20 CHED CC(C)CCCCC(=O)N1CCc2cc(C#N)ccc21 416013314 NLJPQRDCIYRMIN-UHFFFAOYSA-N 270.376 3.664 30 20 CHED C=CCCCS[C@@H](C)c1ccc(S(C)(=O)=O)cc1 190801086 NVJDQYXLJAVDSZ-LBPRGKRZSA-N 284.446 3.851 30 20 CHED CC(C)[C@H](CNc1ncccc1C#N)Nc1ccccc1 42678023 VSIBJAAZZQNJGW-INIZCTEOSA-N 280.375 3.502 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C)c(C)o2)c1 135172969 CEYRRVXYYMXQPT-UHFFFAOYSA-N 271.316 3.714 30 20 CHED CCC1(/C(O)=N/CCc2cnc(C3CC3)nc2)CCCC1 328800983 YWXJWQKOLXFGOC-UHFFFAOYSA-N 287.407 3.823 30 20 CHED CCCCCCCN1CCC(OC[C@H]2CCCO2)CC1 177474946 YOOCAFOYHYODOU-QGZVFWFLSA-N 283.456 3.617 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@@H](SC)C2)CCC1 191891499 MMUVDTKAIXPNCT-QWHCGFSZSA-N 267.438 3.523 30 20 CHED C[C@H](Nc1c(F)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 132436108 YRTGQSOHUQEJOJ-JTQLQIEISA-N 285.278 3.779 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCN(C)c2ccc(F)cc21 425504909 APXCHDBPBVDFNG-UHFFFAOYSA-N 290.382 3.601 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1nc2cc(Cl)ccc2n1C 427841704 ITOYRXYXNNNZAU-VXGBXAGGSA-N 291.826 3.917 30 20 CHED COc1cccc2c1CC/C(=C\c1cccnc1Cl)C2=O 194593254 QAFRWEOHJXEHIZ-ZHACJKMWSA-N 299.757 3.956 30 20 CHED O=C(/C=C/c1nc(-c2ccccc2)c[nH]1)c1ccccc1O 193141467 IPTTWPONOFYRLY-ZHACJKMWSA-N 290.322 3.678 30 20 CHED N#Cc1c(F)cccc1CNc1cccc2c1OCCC2 427420887 MVASUJHKRHTSTH-UHFFFAOYSA-N 282.318 3.634 30 20 CHED C=CCC(C)(C)c1nc(-c2cc(OC)cc(OC)c2)no1 426441045 UWNWMZMSQJRVQF-UHFFFAOYSA-N 288.347 3.608 30 20 CHED N/C(=N\OCc1cccc2ccccc12)c1ccsc1 48379557 DYGFRSMJQMFBHN-UHFFFAOYSA-N 282.368 3.738 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N1CCc2c(C#N)cccc21 421657674 PHBHKMQPYGXPGA-UHFFFAOYSA-N 294.354 3.786 30 20 CHED COc1cc(C#N)ccc1O[C@H](C)c1cccc(C#N)c1 190089710 QLUGZXLTQKXGPT-GFCCVEGCSA-N 278.311 3.579 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2C[C@H]2C2CCCCC2)C1 328823409 GNZBNPDPFBTVEO-DEQVHRJGSA-N 278.396 3.667 30 20 CHED Cn1cc(CN2CCC[C@@H]2c2cccc(Cl)c2)cc1C#N 191230185 DPNODVDQHKLAHS-QGZVFWFLSA-N 299.805 3.887 30 20 CHED CC[C@@H]1CCCC[C@H]1/N=C(/O)[C@@H]1C[C@H](C)CC(O)=N1 328746270 LFQVFTOXXBVPEF-LOWDOPEQSA-N 266.385 3.667 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccccc1)C1CC1 424838244 DNUIIHXJMVSGSB-INIZCTEOSA-N 271.404 3.899 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(OC)cnc2ccccc12 514800099 GHDIDXNXILNGCL-ZDUSSCGKSA-N 298.386 3.718 30 20 CHED CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@H](C)C#N 84907685 SVTXXYXNMBJPFB-SNVBAGLBSA-N 293.798 3.746 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc2ccccc2o1 80060893 VZWNITSSYHANIF-UHFFFAOYSA-N 276.339 3.936 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 424567033 JHBIPXDNCLGPRX-KDOFPFPSSA-N 296.414 3.876 30 20 CHED C=C[C@@H]1OCCC[C@H]1c1nc([C@@H]2CCCC[C@H]2C)no1 424351428 WRRDWYNEAOHSAO-SYQHCUMBSA-N 276.380 3.812 30 20 CHED CC(C)OCc1cccc(N=C(O)N[C@H]2CC[C@H](C)C2)c1 331303658 WAGNYNNTSWZCRN-BBRMVZONSA-N 290.407 3.935 30 20 CHED C=CCCS(=O)(=O)N(c1ccsc1)C1CCCCC1 429306523 MGMUACNNYGNODM-UHFFFAOYSA-N 299.461 3.793 30 20 CHED C=CCC[C@@H](NCCN1CCCCCC1)c1ccco1 514086866 DIKLWZZGRROTHF-MRXNPFEDSA-N 276.424 3.753 30 20 CHED CC[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)C[C@@H](CC)O1 420950634 GMIQPBFOJISHLI-IAOVAPTHSA-N 272.392 3.509 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCc3ccc(Cl)cc32)C1 424128081 QUPOZLZEUSMEKY-PSOPSSQASA-N 260.768 3.609 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCCc2sccc21 424774883 HIBOCACMIXTXEO-GFCCVEGCSA-N 263.406 3.844 30 20 CHED C=C1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 513473397 WYZJIMPMGPBYJL-UHFFFAOYSA-N 273.273 3.997 30 20 CHED CC[C@@H](C(=O)N1CCC(C#N)CC1)C1CCC(C)CC1 336397530 MFHVDXIWPPGSHB-AVVWSFFYSA-N 276.424 3.601 30 20 CHED N#Cc1cccc(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)n1 339223035 JXTLIUBUUQIPBZ-GWCFXTLKSA-N 287.725 3.714 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)cccc1CC 435742622 WEJDZPNBBDMRPN-YOEHRIQHSA-N 293.838 3.973 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cnn(CCCC)c1C 433287517 PNGNHHWEEMAMAN-UHFFFAOYSA-N 292.427 3.715 30 20 CHED COCc1ccc(N[C@H](C)CCc2ccco2)cc1C#N 529645969 YBVIJECLIVOAQI-CYBMUJFWSA-N 284.359 3.731 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCC(CCC(C)C)CC1 437914099 XFLOXLRWCWYFQG-GOSISDBHSA-N 295.467 3.890 30 20 CHED N#Cc1ccnc(NCc2ccc(C(F)F)cc2)c1 342835599 PCIOXAKEJGCTQU-UHFFFAOYSA-N 259.259 3.503 30 20 CHED Cc1ccc(CNC(=O)Nc2cccc(C#N)c2C)s1 431699046 UQEKUZHHGOVTKJ-UHFFFAOYSA-N 285.372 3.558 30 20 CHED Cc1c([C@H](C)NCCc2cccc(C#N)c2)cnn1C(C)C 343507387 HLOFFIRVIDXGSN-AWEZNQCLSA-N 296.418 3.537 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)C(C)(C)c1ccccc1 436305070 HMOOYJZUGXLKLC-NUJGCVRESA-N 287.447 3.924 30 20 CHED N#Cc1ccc(Cl)c(N=Cc2ccccc2O)c1 254943234 ZLQSBHMIKMYVCI-UHFFFAOYSA-N 256.692 3.668 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H]1c1ccc(F)cc1 345486822 GTHAAFLBZDXWOS-HOTGVXAUSA-N 273.351 3.566 30 20 CHED C=CCCCN1CCC[C@@H]1CC(=O)c1cccs1 344399325 JLNVKPSOGFKMGS-CYBMUJFWSA-N 263.406 3.752 30 20 CHED CSc1cccc(F)c1CNC[C@@H](C)CCC#N 602650519 NESUYRXGLWZXID-NSHDSACASA-N 266.385 3.577 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N(CCC#N)CC1CC1 347925860 SHMFHEQDSBWGIN-CYBMUJFWSA-N 264.413 3.601 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCC(C)(C)C 348553511 XHADOCDAKOSLPW-UHFFFAOYSA-N 266.429 3.991 30 20 CHED COc1ccc(C)cc1[C@H](C)Nc1nccc(C)c1C#N 343521669 DUDJGHDQCAOAGC-ZDUSSCGKSA-N 281.359 3.752 30 20 CHED Cc1cc(NCc2coc(-c3cccs3)n2)cc(C#N)n1 341417648 AMFLHODJNZMUHK-UHFFFAOYSA-N 296.355 3.590 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1cncc(F)c1 255577947 VUAXMNUSTKEXME-HYXAFXHYSA-N 259.255 3.564 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc2ccsc2[nH]1 609191504 MGQHUNBBZXRFFL-UHFFFAOYSA-N 289.404 3.631 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H](C)c2ccccc21 348190638 CUKXBCFLJVZBNK-HUUCEWRRSA-N 287.403 3.898 30 20 CHED Cc1cc(C#N)ccc1OCc1cn2cc(Cl)ccc2n1 608885662 GHDKTSGLUCQJDP-UHFFFAOYSA-N 297.745 3.747 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)s1 255842006 IFIDJJJTIIMQLK-IWQZZHSRSA-N 275.279 3.794 30 20 CHED CCN(CC)CCCC1CCN(CC2(CC#N)CC2)CC1 602804854 MBBJDNBOZBJADB-UHFFFAOYSA-N 291.483 3.514 30 20 CHED COc1cccc2c1CC[C@H]2NCc1ccc(C#N)c(C)c1 443993835 BUBQIFPCBDSCLJ-GOSISDBHSA-N 292.382 3.652 30 20 CHED Cc1cc(CNCc2cccc3cc[nH]c23)ccc1C#N 443994236 KXJLSAQWHSSJKJ-UHFFFAOYSA-N 275.355 3.638 30 20 CHED CC(=O)Nc1ccc(C)cc1N[C@H](C)c1cccc(C#N)c1 600849502 OFRCETFHURMLHC-CYBMUJFWSA-N 293.370 3.998 30 20 CHED CCC1(C)CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 351805433 CAFMQRNBEJVHPF-UHFFFAOYSA-N 290.794 3.864 30 20 CHED N#Cc1ccc(CNC2(Cc3ccccc3)CCC2)c(F)c1 532569038 XXJKEWGBUSNIDK-UHFFFAOYSA-N 294.373 3.952 30 20 CHED C[C@H](CCC#N)CN1CCO[C@H](c2cccc(F)c2)[C@H]1C 602696153 ILTWBAOTHBHMQS-CPUCHLNUSA-N 290.382 3.527 30 20 CHED C=CCCC(=O)N[C@H](CC)c1ccc(Cl)s1 265120641 GSKUUPNAFWBZKL-SECBINFHSA-N 257.786 3.935 30 20 CHED Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1O 357666375 AXRGKYAQIVXGPH-OAHLLOKOSA-N 294.354 3.727 30 20 CHED CC1(C#N)CCC(Nc2cccnc2OCC(F)F)CC1 449216025 POFPBXTXVMENBH-UHFFFAOYSA-N 295.333 3.610 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1c(F)cccc1F 537028618 HYXIQBJJQUXOHU-SNVBAGLBSA-N 290.288 3.826 30 20 CHED Cc1cccc(OC[C@@H](C)NC2CCC(C)(C#N)CC2)c1 449089643 DMTGAHKOKQJNND-KLHKWILBSA-N 286.419 3.824 30 20 CHED CC1(C)CCCN(Cc2cc3ccccc3o2)[C@@H]1C#N 444728958 LVHWMWGVMVQMFQ-MRXNPFEDSA-N 268.360 3.947 30 20 CHED Cc1ccccc1C[C@@H](C)NCc1ccc(C#N)c(F)c1 449737757 UENHGCISKXMOOM-CQSZACIVSA-N 282.362 3.727 30 20 CHED CC[C@H](F)CNc1ccccc1Oc1ncccc1C#N 442081655 BZNUFEPWQFIVAZ-ZDUSSCGKSA-N 285.322 3.906 30 20 CHED C=C(C)CCNC(=O)Cc1ccc(Cl)cc1Cl 448551197 VKJLJIUXCQLOKM-UHFFFAOYSA-N 272.175 3.618 30 20 CHED CC[C@H](CNCc1ccc(C#N)cc1)Oc1ccccc1C 530967701 UHQSTVQGPAKNTD-GOSISDBHSA-N 294.398 3.814 30 20 CHED Cc1cccc([C@H](C)CNC(=O)Nc2cccc(C#N)c2)c1 610162344 UTOXEHYJQXEELI-CQSZACIVSA-N 293.370 3.792 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C#N)cc1)C1CC1 264236272 YYJANFAQGLZEJA-STQMWFEESA-N 270.376 3.597 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 444881601 UPWTXIOVVZHNHM-MWLCHTKSSA-N 277.755 3.522 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)ccc1Cl 612580116 PSYNIONLCVAYNA-OAHLLOKOSA-N 299.761 3.517 30 20 CHED N#CCCN1CCCCC[C@@H]1/C=C/c1ccccc1 441175346 XGEOZOHQCIQJHU-FMQWLBJXSA-N 254.377 3.858 30 20 CHED N#CCC[C@H](NC(=O)NCC1CCCC1)c1ccccc1 269643634 RSJMCKXMNYQRTN-INIZCTEOSA-N 285.391 3.521 30 20 CHED C[C@@H](NCCCc1cccs1)c1cccc(C#N)c1 539506705 MRTQZUQCUREVGD-CYBMUJFWSA-N 270.401 3.903 30 20 CHED CC(C)C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 443506756 DFCSGUWAHCJAEM-LLVKDONJSA-N 297.324 3.844 30 20 CHED CC[C@H](NCC1(N(C)C)CCCCC1)c1ccc(C#N)cc1 447523038 SEKZZMVTWPBVNV-SFHVURJKSA-N 299.462 3.863 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cccc(C#N)c1 530725452 PWBCGLBXPVYTEA-DNVCBOLYSA-N 276.383 3.936 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCC[C@@H](C)C1 538367262 BEDNKYSURHJCCG-ILXRZTDVSA-N 266.429 3.951 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2occc21 618803945 JJYBEUTZESECRL-DLBZAZTESA-N 278.355 3.806 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cccc(CC#N)c1 455900265 BZLFDXRZPKPGEY-CYBMUJFWSA-N 273.380 3.795 30 20 CHED CCOc1ccc(/C=N/OCc2cccc(COC)c2)cc1 269469262 KMMDLIDYNXEFJU-XDHOZWIPSA-N 299.370 3.782 30 20 CHED Cc1cc(C)c(C#N)c(SCCCN2CCCCC2)n1 361982197 QMISDEZGWCCDNR-UHFFFAOYSA-N 289.448 3.538 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(C)c(C)c1Cl 452772473 FLASYAQCFYQFBV-UHFFFAOYSA-N 265.784 3.899 30 20 CHED N#CCCCC(=O)N1CCCC[C@H]1c1nc2ccccc2o1 361936196 UMKAXDCRMOHMEP-AWEZNQCLSA-N 297.358 3.575 30 20 CHED CC(C)CC(CC(C)C)C(=O)N[C@]1(C#N)CC1(C)C 452165705 QVNOCPKDQJGYEM-INIZCTEOSA-N 264.413 3.503 30 20 CHED C=CCCCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 267255865 PBDHJIIJVVDJIC-UHFFFAOYSA-N 288.391 3.510 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cc(C)ccc1OC(F)F 453380970 ZZQNLAFEZRCTLD-QWHCGFSZSA-N 299.361 3.574 30 20 CHED C=CCOc1ccc(-c2nc([C@@H](CCC)OC)no2)cc1 453209189 YQTKMUGLLWWSDF-CQSZACIVSA-N 288.347 3.789 30 20 CHED C=CCC1(NC(=O)[C@H](C)C(C)(F)F)CCCCC1 456373991 WMFANCTWXVPUQY-NSHDSACASA-N 259.340 3.673 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](c2ccc(F)cc2)C1 614402924 ZAOJPDTWFPSZSM-SFHVURJKSA-N 294.373 3.995 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 364057837 RGGQBLQVLFOJOK-YJBOKZPZSA-N 299.414 3.798 30 20 CHED CC#CCCCC(=O)N(C)Cc1c(F)cccc1Cl 274267394 FZOIASCAGRLARO-UHFFFAOYSA-N 281.758 3.631 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(C)c(OC(C)C)c1 278383564 DBQIIPLQQZGFPR-UHFFFAOYSA-N 289.379 3.550 30 20 CHED C=CCC1(C(=O)NCC2(SC)CCC2)CCCC1 451268303 LSKDSILUQKJMFC-UHFFFAOYSA-N 267.438 3.525 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc3c2CCC3)C1 617786288 WMBUEDWTYHJUQZ-CQSZACIVSA-N 269.388 3.604 30 20 CHED C[C@H](CC(=O)NC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 543758456 JMSNWDUGFBQZET-SNVBAGLBSA-N 298.308 3.617 30 20 CHED CC(C)(CC#N)CN[C@H]1CCC[C@@H]1c1ccccc1 459725520 CUCQVSHDTVRZIZ-CVEARBPZSA-N 256.393 3.852 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C 456342276 PDLLCBGKXQHDCT-ZIAGYGMSSA-N 251.414 3.728 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)NCC(C)(C)CCC#N 454959927 NFKJMRBGDQUGBG-AWEZNQCLSA-N 279.428 3.750 30 20 CHED Cc1nc(CCNc2cccc(Cl)c2C#N)sc1C 450385651 FEEHQRMYIDXTKI-UHFFFAOYSA-N 291.807 3.940 30 20 CHED C=CCCC[C@H](C)NC(=O)COCc1cccc(Cl)c1 457712867 QZQXDNNDUSGOAV-ZDUSSCGKSA-N 295.810 3.718 30 20 CHED C=CCCC1(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)CC1 456992762 SKNXJPPOXSWUSQ-WBTNSWJXSA-N 273.420 3.627 30 20 CHED CC(C)Oc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 274217515 PDHFOMIBESTXQX-CVEARBPZSA-N 272.392 3.646 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1ccc(C#N)cc1F 544841016 DQBPHLWLGRFUNF-VIFPVBQESA-N 260.234 3.840 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)c2ccc(C#N)cc2)CC1 278699576 KYXBWHFKICYQQO-IBGZPJMESA-N 297.446 3.639 30 20 CHED C=CCCC[C@H](C)N[C@@H](C(=O)OC)c1cccc(Cl)c1 540618959 XIYAEONSKQPXSB-SWLSCSKDSA-N 295.810 3.889 30 20 CHED C=CCCCCCN1Cc2ccc(O)cc2C2(CC2)C1 463424630 CALLDDVNTVBERS-UHFFFAOYSA-N 271.404 3.986 30 20 CHED C=C[C@H](C)NC(=O)N(C)CCc1cccc2ccccc12 464752120 NQDVSPLGWTXFOD-AWEZNQCLSA-N 282.387 3.598 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccccc1OC(C)C 280717188 UOSDWGCNAWJMQH-AEFFLSMTSA-N 289.419 3.545 30 20 CHED C=CCCN(C)C(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 467093844 SUOJMMDIBYIMNN-WMLDXEAASA-N 286.419 3.918 30 20 CHED C=CC[C@H]1N(C(=O)c2c[nH]c3cccnc23)CCCC1(C)C 621975883 XLKWKTUKDHTBMT-OAHLLOKOSA-N 297.402 3.770 30 20 CHED C=CCN(C(=O)c1ccc(Cl)cc1F)C(C)(C)C 622943250 URHLDLRMSXLVAM-UHFFFAOYSA-N 269.747 3.906 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H]1C1CCCC1)OCC 372202873 CEMMJXCMJDHMBZ-HOTGVXAUSA-N 279.424 3.539 30 20 CHED C=CCOCCCC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 463423754 LNEVYJIWRSVJKM-INIZCTEOSA-N 289.419 3.806 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@H]2CCCC)CC1 468367501 NBQLFRIUYPMMHL-AEFFLSMTSA-N 278.484 3.975 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1sc(CC)nc1C 280922258 UCOKACNEBCEEIJ-ZLDLUXBVSA-N 294.464 3.646 30 20 CHED COc1ccc(C(=O)/C=C/c2cn(C(C)C)nc2C)cc1 280902027 DWVJKHQNSQUJLB-JXMROGBWSA-N 284.359 3.677 30 20 CHED C=C(C)CCc1noc(-c2ccc3oc(C)nc3c2)n1 289250967 PUYDKUNCHRSQHL-UHFFFAOYSA-N 269.304 3.695 30 20 CHED CC1(C#N)CN(C(=O)CCCc2csc3ccccc23)C1 280383454 FTWJDPMWLASVJN-UHFFFAOYSA-N 298.411 3.596 30 20 CHED Cc1c([C@@H](C)N=c2cc[nH]c(C#N)c2)oc2ccccc12 557507866 CBTHEPXHTORDCX-GFCCVEGCSA-N 277.327 3.603 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCCCC2)nc1 467515243 XGMKDIYBCPFIJN-KRWDZBQOSA-N 287.407 3.613 30 20 CHED C[C@H](NCc1nc(C#N)cs1)[C@H](C)C1CCCCC1 558486142 RRHIJZIDBHANCQ-RYUDHWBXSA-N 277.437 3.709 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CCc2ccc(OC)cc21 469749575 VBZMOLHZSTVJRT-BBRMVZONSA-N 287.403 3.586 30 20 CHED CCCCCCCC(=O)N[C@H](CC1CCCCC1)C(=O)O 385686658 FEBFJVSXZOSCLL-OAHLLOKOSA-N 297.439 3.887 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(Cl)o2)n1 556364958 NKCLGTZYLKVRSI-UHFFFAOYSA-N 252.701 3.837 30 20 CHED C#CCC(C)(C)C(=O)OC[C@H](OC)c1ccc(Cl)cc1 801309156 IYLOJZAZQFSXSA-AWEZNQCLSA-N 294.778 3.620 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@@H](c1ccccc1)N(C)C 471611299 BZAOJQHOIANRAV-CUSZFKRNSA-N 274.452 3.868 30 20 CHED C#C[C@H](NCc1cn(C)nc1C1CCCCC1)C(C)(C)C 809781211 JJUORFVROUAJIK-INIZCTEOSA-N 287.451 3.605 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1 477007501 CFZZJHBMXWYNOD-OAHLLOKOSA-N 291.435 3.731 30 20 CHED COc1cccc(C=C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 292735817 GYRBOBBVBYTMSZ-ZWKOTPCHSA-N 296.414 3.867 30 20 CHED c1ccc2ncc(CNN=C3CCC[C@H]4C[C@@H]34)cc2c1 800814810 ZHPQCTJHAQYRBK-DZGCQCFKSA-N 265.360 3.500 30 20 CHED Cc1ccc(N(CCO[C@@H](C)C#N)Cc2ccco2)cc1C 801932543 OXQVBTGQEOOZKH-INIZCTEOSA-N 298.386 3.832 30 20 CHED N#CCC[C@H](C#N)CSCc1c(F)cccc1F 290871261 ZSJXXCFZCQOTJA-SNVBAGLBSA-N 266.316 3.642 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)Nc1cccc(Cl)c1)CC2 568787394 YLFQJADPRLCOAO-UHFFFAOYSA-N 297.745 3.806 30 20 CHED N#CCCCCCC(=O)N(CCc1ccccc1)C1CC1 807105769 DGABAECEMWZWCV-UHFFFAOYSA-N 284.403 3.694 30 20 CHED C=CCCCCNC(=O)[C@H]1CCSc2ccccc21 471708166 AFXLOPKEDQWUSQ-AWEZNQCLSA-N 275.417 3.739 30 20 CHED Cc1csc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1C#N 562477968 YYGJPFYOEQIIPO-DGCLKSJQSA-N 289.404 3.725 30 20 CHED Cc1ccccc1[C@H](NCCO[C@@H](C)C#N)C(C)(C)C 801938560 GWKXRHQZFHGKBB-HOCLYGCPSA-N 274.408 3.601 30 20 CHED C#Cc1ccc(CN(C)[C@H]2CC[C@@H](SCC)C2)cc1 809592542 OYVOPFXHXVIZJI-DLBZAZTESA-N 273.445 3.774 30 20 CHED C=CCN(CC=C)Cc1ccnc(Cl)c1Cl 290486333 RKEDEIVDZJRCQP-UHFFFAOYSA-N 257.164 3.562 30 20 CHED CC[C@](C)(C#N)c1nc(-c2cccc(C(F)F)c2)no1 809480976 XYJGAQDQDSGOEY-CQSZACIVSA-N 277.274 3.865 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 563260812 YEVKEZDWRJUQIL-XDKFSHSGSA-N 296.414 3.747 30 20 CHED C#Cc1ccc(CN(CCC)Cc2ccccc2O)cc1 809558355 YVHIHXHGLVAYKP-UHFFFAOYSA-N 279.383 3.786 30 20 CHED CCCN(C(=O)CCCC#N)[C@H]1CCc2ccccc21 292287839 KBNAJXQIWMXOEX-INIZCTEOSA-N 270.376 3.606 30 20 CHED C=CCCN(C)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 296778176 KCLYVOGBTYFBAU-JOCQHMNTSA-N 292.810 3.804 30 20 CHED C=CC(C)(C)CNC(=O)N(CC)Cc1ccc(C)cc1 562909420 OOOXXGHZXXNFIT-UHFFFAOYSA-N 274.408 3.739 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc2ccn(C)c12 489037835 GUIBYFBAYIKDLQ-CQSZACIVSA-N 283.375 3.751 30 20 CHED FC(F)Oc1ccc(C=NOCC2CC2)cc1Cl 814243316 PXQXJUOPLUDZFK-UHFFFAOYSA-N 275.682 3.702 30 20 CHED CC[C@@H](C)NN=Cc1ncc(-c2ccccc2)s1 811649199 DXVIGFIDGWURDC-LLVKDONJSA-N 259.378 3.532 30 20 CHED CC(C)(C#N)CCN1Cc2ccccc2OC(C)(C)C1 568678723 UVRYXMACUFEDPE-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](CO)C1CCCC1 810259431 JADUUHQMYYMLHS-HOCLYGCPSA-N 253.430 3.652 30 20 CHED C=CCCC1(c2nc(CCc3ccccc3)no2)CC1 564207211 UTVLSQWFZIZBFI-UHFFFAOYSA-N 268.360 3.853 30 20 CHED C#C[C@@H](NC(=O)c1cc(C)oc1C)c1ccc(Cl)cc1 811948859 KSIBJGIHBPWYRC-OAHLLOKOSA-N 287.746 3.654 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCSC2)n1 810606560 YPRKICNDLWICJO-GHMZBOCLSA-N 294.445 3.586 30 20 CHED CCON=C(CSC)c1ccc(C(F)(F)F)cc1 814788393 SBFGOJDXWAUUFR-UHFFFAOYSA-N 277.311 3.809 30 20 CHED CC(C)(C)c1n[nH]cc1C=NNc1ccc(Cl)cc1 812370961 XXDIHZZMHSUVDN-UHFFFAOYSA-N 276.771 3.807 30 20 CHED C=C(Cl)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811486251 HSXMJEIAYRJJBP-UHFFFAOYSA-N 295.553 3.744 30 20 CHED CCCCCCCN[C@H](c1nc[nH]n1)c1cccs1 815601335 SUFRUMIAFHOVCC-ZDUSSCGKSA-N 278.425 3.516 30 20 CHED Cc1ccsc1/C=C1\Cc2ccc(C#N)cc2C1=O 811693796 KNCLHLKHOHTYSC-MDWZMJQESA-N 265.337 3.751 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCc1ccccc1O 657865136 PVWPIYOMZZUYPY-ZBFHGGJFSA-N 259.393 3.659 30 20 CHED C=CCCC(=O)N1CCC2(CCc3ccccc3C2)CC1 652525969 NPFTXWYCHUSYRZ-UHFFFAOYSA-N 283.415 3.750 30 20 CHED C=CC(C)(C)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C 650965258 CWBUJQLOOCBAOB-UHFFFAOYSA-N 283.375 3.640 30 20 CHED C=CCCCSCc1nc(Cc2cccc(F)c2)no1 485569793 OIAHBGLBBUAIIV-UHFFFAOYSA-N 292.379 3.999 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCOc1ccccc1F 488865082 KAFDSYNVHRDQPS-CQSZACIVSA-N 291.366 3.552 30 20 CHED N#Cc1ccc(NN=CCC(F)(F)F)c(C(F)(F)F)c1 817328069 WAIIPKQYYCOLAD-UHFFFAOYSA-N 295.186 3.927 30 20 CHED CCc1cc(C(=O)N2CCC(CCC#N)CC2)oc1CC 574522275 WSILJBMTRZCCBU-UHFFFAOYSA-N 288.391 3.560 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 814934449 VJJFCTABCCFELI-RYUDHWBXSA-N 273.367 3.919 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCCSC1 810771057 RXIKPJVHBHHSTH-CQSZACIVSA-N 269.454 3.772 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNCCCc2ccccc2)o1 729146454 XVTSZPCYZBCLOK-YOEHRIQHSA-N 282.387 3.959 30 20 CHED COc1cccc(O)c1/C=N\CCCOC1CCCCC1 812401748 COEKXNFFNIAHND-AQTBWJFISA-N 291.391 3.559 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCSC1 577111480 PJSMVRPNRWQAHB-OAHLLOKOSA-N 281.465 3.725 30 20 CHED C#C[C@H](NC(=O)[C@H](C)C(C)(C)C)c1ccc(Cl)cc1 811947940 SXMCHWIYEOEQKA-FZMZJTMJSA-N 277.795 3.813 30 20 CHED C#C[C@@H](C)N(C)C(=O)NCCCCCCCCC=C 812383267 JZLUCZZAZKAARF-OAHLLOKOSA-N 264.413 3.566 30 20 CHED CC(C)(C)c1ccc(NC[C@@H](C#N)CCC#N)cc1 579629787 KGDBDLMSIQBKJY-CYBMUJFWSA-N 255.365 3.840 30 20 CHED C=C(CC)Cn1cc(-c2cc(Cl)ccc2OC)nn1 656452925 CJQHHDDMNNNVEC-UHFFFAOYSA-N 277.755 3.573 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(-c2ccccc2)noc1C 489990954 SMCVGUYELGQTAR-UHFFFAOYSA-N 298.386 3.982 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@H]2C2CCC2)c1 728176281 MMGREZHFKBKCNB-INIZCTEOSA-N 284.428 3.629 30 20 CHED N#CCC[C@H](C#N)CNC1CCC(c2ccc(F)cc2)CC1 575474343 WGHVUWBJHHMSNF-MXWWQKGMSA-N 299.393 3.885 30 20 CHED C[C@@H]1O[C@H](C)C[C@H]1Nc1ccc(OC(C)(C)C)c(C#N)c1 824722508 URVTVQGSEPQINR-TYNCELHUSA-N 288.391 3.713 30 20 CHED Cc1csc(NC(=O)N2CCC[C@@H]2C(C)C)c1C#N 574888015 KBNGSYLBLQLZAT-GFCCVEGCSA-N 277.393 3.581 30 20 CHED N#Cc1c[nH]cnc1=N[C@H](c1ccccc1)C1CCCCC1 825584101 XEOAONCXELYKLR-QGZVFWFLSA-N 292.386 3.504 30 20 CHED CCC(=NNCCCc1ccccc1)c1ccc(O)cc1 729145923 HJMATQMYYBFEBZ-UHFFFAOYSA-N 282.387 3.729 30 20 CHED C#C[C@@H](NC(=O)Nc1ncccc1C)c1ccc(Cl)cc1 491675147 TWWQRRBSVZYPNK-CQSZACIVSA-N 299.761 3.539 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 665105458 OEHCCDPQBHTYEM-DLBZAZTESA-N 269.388 3.608 30 20 CHED Cc1cc(CNC(=O)CCCCCC#N)ccc1Cl 588164167 YSKBJPCVGYDAMX-UHFFFAOYSA-N 278.783 3.739 30 20 CHED Cc1cc(SC[C@H]2CCC[C@@H](O)C2)ccc1C#N 582786143 WSFUDTPDYQJDHV-GXTWGEPZSA-N 261.390 3.510 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1C(C)(C)C)C(C)C 821514050 XXKFXGBGCWUOOM-CQSZACIVSA-N 272.392 3.763 30 20 CHED C#CCN(C(=O)[C@@H](C)c1ccccc1F)C1CCCCC1 731323292 CNOKHFXYPJBPJA-AWEZNQCLSA-N 287.378 3.724 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)C#N)c1ccc(Cl)s1 497478748 GKIAWTMXDLRXKV-SECBINFHSA-N 299.827 3.702 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1 498174785 ZYUJNFLTWYBFFY-UHFFFAOYSA-N 285.318 3.951 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@H]1[C@H](C)c1ccccc1 908644329 WNZOBTZRABBPFC-PBHICJAKSA-N 296.418 3.545 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 584031675 XTULTEVQJLDXQR-PEYYIBSZSA-N 286.375 3.501 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NC1CCC(CC(=O)O)CC1 902348943 AIKCLGRZMHVVIC-GRAKBVBRSA-N 279.424 3.744 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2cccnc2F)CCCC1(C)C 832053747 BOSTZYHIDSEVRT-ZDUSSCGKSA-N 291.370 3.819 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)CCCC(F)(F)F 835317348 HHZZJJZFAZKHRV-SECBINFHSA-N 252.276 3.863 30 20 CHED C=CC(C)(C)c1nc(Cc2cccc(F)c2Cl)no1 834601815 BCNCJXYXFJHMFS-UHFFFAOYSA-N 280.730 3.917 30 20 CHED Cc1[nH]c(=N[C@H](C)c2ccccc2OC(C)C)ccc1C#N 584755919 FLMNGSDVKJMTDJ-CQSZACIVSA-N 295.386 3.644 30 20 CHED N#Cc1ccc(OC(=O)c2ccccc2OC2CCC2)cc1 735630676 BWNUWBOAUKALFF-UHFFFAOYSA-N 293.322 3.709 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1cc(F)ccc1F 730147843 UUGVEWYUBSFONW-UHFFFAOYSA-N 297.308 3.771 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@@](C)(c2ccccc2)C1)C(=O)O 901692004 HDLSSNZPTVOOKK-SOLBZPMBSA-N 287.403 3.506 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2ccccc2c1O 834886792 CAJPOZFLFLGGOP-VUCTXSBTSA-N 283.371 3.540 30 20 CHED CC(C)Oc1ccc(C=NNc2ccccc2C(=O)O)cc1 915955400 DJPFKRNHFLEEIX-UHFFFAOYSA-N 298.342 3.618 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)OCC(C)(C)CCC#N 835386384 JJIDZMSCMGVQDF-DOMZBBRYSA-N 251.370 3.686 30 20 CHED CCc1ccc(COC(=O)[C@@]2(C#N)CC23CCCC3)cc1 837906847 RXWSXGHADDNMPN-SFHVURJKSA-N 283.371 3.766 30 20 CHED c1ccc2c(=NN=C3CCCCCC3)cc[nH]c2c1 730146651 CTRPQCRWMCVFGV-UHFFFAOYSA-N 253.349 3.779 30 20 CHED FC(F)(F)c1ccc(C=NNCc2ccccc2)cc1 916344393 UPYBINACUGNBAW-UHFFFAOYSA-N 278.277 3.829 30 20 CHED CC1(C)Cc2cccc(CN3CCC[C@H](CC#N)C3)c2O1 595622924 FYIWDGPFJFCKSE-CQSZACIVSA-N 284.403 3.526 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](C)Sc1ccccc1Cl 594088747 NVJOVTNWXPVLPX-QWRGUYRKSA-N 296.823 3.581 30 20 CHED C=C(CNC(=O)[C@H](C)Oc1cccc(C)c1)c1ccccc1 673342576 SVRNHPDLCLOYPV-INIZCTEOSA-N 295.382 3.592 30 20 CHED Cc1cc(-c2ccc(O[C@@H]3CCOC3)cc2)ccc1CC#N 592983759 JEMCKHURGGRANN-LJQANCHMSA-N 293.366 3.896 30 20 CHED C=CCNC(=S)N(CCC)[C@H](C)c1ccccc1OC 745679023 MFKQDTNMNUAPIM-CYBMUJFWSA-N 292.448 3.529 30 20 CHED CCCCCC[C@](C)(CC)C(=O)Nc1cnn(CC#N)c1 742602622 ZDIUEPGZXHSBBD-INIZCTEOSA-N 290.411 3.732 30 20 CHED Fc1ccc(/C=C\C=NNc2nncc3ccccc23)cc1 747744672 QAUUVFALHAYIFG-YEYGOYOGSA-N 292.317 3.880 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)C[C@H](O)CC(C)(C)C#N 598585274 BLBHFRXHSLQEHO-IUODEOHRSA-N 294.826 3.634 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1cnc2n1[C@H](C)CCC2 845285990 LBJSNBAVSYKJPG-CHWSQXEVSA-N 276.380 3.682 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)cc1)CC2 741849529 WSQZJBRVZBRDKR-UVTDQMKNSA-N 280.323 3.613 30 20 CHED C#CCN(C(=O)NCCCC1CCCC1)C1CCCCC1 744845241 SSVJNXMYSHAUJQ-UHFFFAOYSA-N 290.451 3.934 30 20 CHED CN(CCSc1cccc(Cl)c1)CC(C)(C)C#N 595500865 MVYBDCNVKOMSAI-UHFFFAOYSA-N 282.840 3.914 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)c1ccc(C3CC3)cc1)CC2 597445861 ZSNGHLANNIMFGA-UHFFFAOYSA-N 288.350 3.639 30 20 CHED CCCCCCCCN1CCC(C(=O)NCC(C)C)CC1 740874619 VSURGZZMCKOPTJ-UHFFFAOYSA-N 296.499 3.831 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 670804095 VIBVJNUUANEMMR-YPMHNXCESA-N 299.336 3.965 30 20 CHED C=C[C@H](C)ONC(=O)C(C)(C)c1cccc2ccccc12 846555592 WVJTXUBMAXKGAM-ZDUSSCGKSA-N 283.371 3.740 30 20 CHED Clc1cccnc1NN=Cc1cc2ccccc2o1 917545996 DVHFGBFTGHROSA-UHFFFAOYSA-N 271.707 3.927 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 597041949 RQEYUCDAJWMUEL-CKEIUWERSA-N 276.424 3.647 30 20 CHED CC1(C)C(=NNc2ccc(F)cc2F)[C@@H]2CCCO[C@@H]21 743417909 PHQBZTWWEAPIPJ-HZMBPMFUSA-N 280.318 3.568 30 20 CHED CC(=O)Nc1cccc(CSCC2(CC#N)CC2)c1 596337506 AHKZJUIWVJESAJ-UHFFFAOYSA-N 274.389 3.572 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)c2ccc(C3CC3)cc2)C1 591321603 IPSHZENXMMFWHQ-XYEKJYRLSA-N 282.387 3.681 30 20 CHED C[C@H]1CCCC[C@H]1NC(=S)NN=C1CCCC[C@H]1C 916277242 ALONMRYVKRVFSQ-YNEHKIRRSA-N 281.469 3.595 30 20 CHED N#Cc1ccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1C#N 597275536 YOIUTZVMSIACRR-HZPDHXFCSA-N 293.370 3.585 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cc(C)nn1C 840888106 YPMMDOAEXVEIAI-NVXWUHKLSA-N 283.419 3.567 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCn2c(Cl)ccc2[C@H]1C 848088954 UIHDNLWXLWWNSP-ABAIWWIYSA-N 280.799 3.647 30 20 CHED Cc1cc(-c2cccc(CN(C)C)c2)ccc1CC#N 592987413 RVJFQPLEVZQWTL-UHFFFAOYSA-N 264.372 3.790 30 20 CHED CCSc1ccc(C(=O)/C=C/c2cc(C)n(C)n2)cc1 840714958 AFERTWYGIJKPRS-JXMROGBWSA-N 286.400 3.737 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H](CO)[C@@H]1C 840563534 MVWIRELHMZAULJ-HOTGVXAUSA-N 283.456 3.747 30 20 CHED C=CCN(CC(=O)Nc1ccccc1C(C)(C)C)C(C)C 917071280 QFBSRUUIFKLGKK-UHFFFAOYSA-N 288.435 3.819 30 20 CHED COCCON=C(C)CCc1cccc(C(F)(F)F)c1 748789410 GYSBYJTYOCTFOI-UHFFFAOYSA-N 289.297 3.677 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H](C)C(C)(C)C 593958608 LGFRLGFXZPELIQ-UONOGXRCSA-N 286.419 3.630 30 20 CHED C[C@@H]1SCC[C@H]1/N=C\c1c(O)ccc2ccccc12 843263244 IXBUIQDSDFGQNP-XXGOMZLFSA-N 271.385 3.858 30 20 CHED CCCCN(C(=O)[C@H](C#N)CC)[C@@H]1CCC[C@H](C)C1 593732843 SDCJUELNQACWJC-SOUVJXGZSA-N 264.413 3.744 30 20 CHED C#CCCCNC(=O)N(Cc1ccccc1)CC(C)(C)C 743693062 IIEMOUZCSLCWKA-UHFFFAOYSA-N 286.419 3.658 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cccc(F)c1 916248047 HGUMIACVBPEZQI-UHFFFAOYSA-N 264.250 3.940 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccc(CC(=O)O)cc1 848414880 SOQKUIZDNKBNHK-GXTWGEPZSA-N 274.364 3.538 30 20 CHED Cc1c(Cl)cccc1NC(=O)C#Cc1ccccc1 747199526 OCDQDLAEDUCEDX-UHFFFAOYSA-N 269.731 3.639 30 20 CHED Cc1ccc(N(CCC#N)C(=O)/C=C\c2ccccc2)cc1 920970238 BLHGAJLNNBIPJK-RAXLEYEMSA-N 290.366 3.955 30 20 CHED C=CCCCC(=O)OCc1cc(=O)oc2cc(C)ccc12 748233845 JTBODJQRPLHRSN-UHFFFAOYSA-N 286.327 3.501 30 20 CHED COc1ccc(C=NNc2ncccc2Cl)cc1Cl 741461649 NISZVQXYLAWEGX-UHFFFAOYSA-N 296.157 3.843 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C/C2CCCC2)s1 843535976 YUCLKJHQPMPORK-BQYQJAHWSA-N 274.389 3.867 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 758515802 DXODLMBYVPACQR-LBPRGKRZSA-N 289.331 3.967 30 20 CHED COc1cccc([C@H]2C[C@H](N[C@@H](C)CC(C)(C)C#N)C2)c1 926545221 JXHDXVKICOGTIT-BPUTZDHNSA-N 286.419 3.859 30 20 CHED C=CCN(Cc1cc(C)c2ncccc2c1)C(C)C 753536038 OAKYHUJHONZLRD-UHFFFAOYSA-N 254.377 3.940 30 20 CHED C=CCCN(C)C(=O)C1(c2cccc(Cl)c2)CCC1 682427460 UQYPREIYKYAJSN-UHFFFAOYSA-N 277.795 3.796 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C[C@H](C)n1cccn1 851143683 MWPNIULQCRWGRW-RRFJBIMHSA-N 276.380 3.512 30 20 CHED CC(CC1CCC1)=NNc1oc(C(C)C)nc1C#N 758374313 DTMXOGHPNLIQJW-UHFFFAOYSA-N 260.341 3.648 30 20 CHED C#CC[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 756996324 QCAMUIZUNXYVBT-GOSISDBHSA-N 278.330 3.552 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 929764956 ZWMQTYWCFDADNZ-UONOGXRCSA-N 275.392 3.817 30 20 CHED C=CCC[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccco1 927108787 QRAYVYSMIOJRMG-OAHLLOKOSA-N 285.391 3.688 30 20 CHED C#CCCCC(=O)Nc1nc(C)c(Cc2ccccc2)s1 758085576 DLGPKKCHVBUFRK-UHFFFAOYSA-N 298.411 3.784 30 20 CHED Fc1cc(F)cc(NN=C[C@H]2CCOc3ccccc32)c1 752164105 IXTKRTOFJQLWEJ-LLVKDONJSA-N 288.297 3.929 30 20 CHED C/C(=C/c1ccc(Cl)cc1)C(=O)N(C1CC1)[C@H](C)C#N 855582809 OTTOZBYNXRUWOH-UCQJPZFISA-N 288.778 3.646 30 20 CHED C#CCCCCNC(=O)c1cc(C(C)C)nc2ccccc12 758639658 KPXAQTMKRHBFNC-UHFFFAOYSA-N 294.398 3.892 30 20 CHED Cc1oc2ccccc2c1[C@@H](C)NCC1(C#N)CC1 926873243 DMLOWLXMXWWQFM-LLVKDONJSA-N 254.333 3.696 30 20 CHED N#Cc1cc(COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1F 758916980 XTJGFXULOWBMMS-UBHSHLNASA-N 287.334 3.567 30 20 CHED CCOC1CCC(Nc2ccccc2O[C@H](C)C#N)CC1 850458818 UYZRHMRYCCZFCP-WLYUNCDWSA-N 288.391 3.737 30 20 CHED COCCC(=NNc1ccc(OC(F)F)cc1)C(C)C 756826970 NUHXJQMOVZROPA-UHFFFAOYSA-N 286.322 3.748 30 20 CHED COc1cc(C)c(/C=C/C(=O)c2ccccc2)cc1OC 751510847 VLJLHPHJRJMDGW-MDZDMXLPSA-N 282.339 3.908 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cccc(OC2CC2)c1)OCC 851348170 OMIGTRFHIGJDPK-MRXNPFEDSA-N 290.359 3.505 30 20 CHED C=C[C@H](OC(=O)[C@H](CC)SC)c1ccccc1 851451903 MVFAUWHEQXWWDO-STQMWFEESA-N 250.363 3.599 30 20 CHED COCC(=NNc1cccc2ccccc12)C1CC1 754261405 WRWFZYRQGQBDBZ-UHFFFAOYSA-N 254.333 3.664 30 20 CHED COCCC(=NNc1ncc(Cl)cc1Cl)C(C)C 756823580 NHJHRTZGEANMPD-UHFFFAOYSA-N 290.194 3.849 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2CCCCC2)cc1 49861687 QRVNBIYAKBNTQY-MRXNPFEDSA-N 270.376 3.510 30 20 CHED N#Cc1ccc(C(=O)OCC[C@@H]2CCCc3ccccc32)[nH]1 763047097 KPZHXBFCRRKLSR-AWEZNQCLSA-N 294.354 3.553 30 20 CHED COc1ccc2c(c1)C/C(=C\c1cn(C(C)C)nc1C)C2=O 865227560 SIXKCDJSTARCGH-RIYZIHGNSA-N 296.370 3.603 30 20 CHED Fc1cccc(Cl)c1NN=Cc1c[nH]c2ncccc12 769827344 TTWLOXYVHFJQKG-UHFFFAOYSA-N 288.713 3.801 30 20 CHED CCC(CC)c1noc(-c2ccc(C=NOC)cc2)n1 762036878 RASXLLNPTZGXQS-UHFFFAOYSA-N 273.336 3.621 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(C(F)(F)F)cn1 768877644 JMRHZKZASSAYNS-CYBMUJFWSA-N 287.281 3.746 30 20 CHED CC(Cc1ccccc1C)=NNCc1ccc(C#N)cc1 769820732 KCZNYIZTTDIKID-UHFFFAOYSA-N 277.371 3.575 30 20 CHED CCCCCCCC(=O)N1CCC(C(F)F)CC1 766688363 OAGGACZTOLQGNE-UHFFFAOYSA-N 261.356 3.851 30 20 CHED N#CC1(OC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)CCC1 762095127 PAXDLBNXBIIITL-IRXDYDNUSA-N 291.350 3.933 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1CCC1CCCC1 767960147 RPXOKEPDLSWQDJ-QGZVFWFLSA-N 290.451 3.934 30 20 CHED C[C@H](CC=NN1CCc2ccccc2C1=O)c1ccccc1 769594791 YJBRHDNCYZVSQM-OAHLLOKOSA-N 292.382 3.865 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccncc2CC)c1 766771721 KIBNZDGYSVFNBV-CMDGGOBGSA-N 281.355 3.939 30 20 CHED C#C[C@@H](OC(=O)c1cnc(C2CC2)s1)c1ccc(C)cc1 860964096 JJJHRRFQDGNHJY-CQSZACIVSA-N 297.379 3.860 30 20 CHED Cc1ccc(CON=Cc2c(C)nc3sccn23)cc1C 762210319 OZTVGMQDEXCLRE-UHFFFAOYSA-N 299.399 3.872 30 20 CHED C[C@H](OC(=O)C(C1CC1)C1CC1)c1cccc(C#N)c1 764616147 ZNZKUKGEDOTMOE-NSHDSACASA-N 269.344 3.599 30 20 CHED CC(C)(C)c1cnc(CON=Cc2ccccc2F)o1 760417900 XWAXZRMCFOQPHV-UHFFFAOYSA-N 276.311 3.662 30 20 CHED C[C@H]1CCCC(=NNc2ncnc3ccsc23)C1 764834873 HWHZVHJCRHBHPL-VIFPVBQESA-N 260.366 3.669 30 20 CHED N#Cc1ccccc1NC(=O)C1(Sc2ccccc2)CC1 1116364965 DNRPOOOFVKDMFX-UHFFFAOYSA-N 294.379 3.822 30 20 CHED CC[C@](C)(NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 775394737 MUKSMZHRKQMRLN-MOPGFXCFSA-N 294.398 3.507 30 20 CHED C#CCCCCCCNc1ccccc1O[C@H](C)C#N 877183600 HDXMQXNAHRMGTK-OAHLLOKOSA-N 270.376 3.973 30 20 CHED CCc1cccnc1C(C)=NNc1ccc(Cl)nc1 779774838 NBSMBPZYQZDLMO-UHFFFAOYSA-N 274.755 3.529 30 20 CHED C=C(CC)COC(=O)c1ncoc1-c1ccc(F)cc1 770477269 MIORMWORAIVIDL-UHFFFAOYSA-N 275.279 3.604 30 20 CHED Cc1nnn(N=C[C@H](C)c2ccc(C(F)(F)F)cc2)c1C 1119298869 MIHYSCJRCAYICN-VIFPVBQESA-N 296.296 3.551 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1 1117795993 VWWGEWPEVHOOGX-JKSUJKDBSA-N 297.402 3.911 30 20 CHED CC1(C)CCC[C@@H]1C(=O)OCc1ccc(C#N)cc1F 772598348 BOOHNCWADUEVJR-CYBMUJFWSA-N 275.323 3.567 30 20 CHED COCCOc1ccc(NC[C@@H](C)CCC#N)cc1Cl 876825550 YKJKIUGBRQVPFN-LBPRGKRZSA-N 296.798 3.717 30 20 CHED O=C1/C(=C/c2nc3c(s2)CCCC3)COc2ccccc21 776263735 DITSOWCATGGFLL-PKNBQFBNSA-N 297.379 3.681 30 20 CHED COc1cc(/C=C2/COc3c(F)cccc3C2=O)ccc1C 773138953 IIFLHGLGGZEVNW-JYRVWZFOSA-N 298.313 3.801 30 20 CHED C#CCCCCCCNc1ccc2c(c1)CCC(=O)N2 876873614 LYAWROURYLJIFK-UHFFFAOYSA-N 270.376 3.567 30 20 CHED C#CCCCCCC(=O)N1CCc2cccc(Cl)c21 779849077 AYRAGDCZWMIAAZ-UHFFFAOYSA-N 275.779 3.813 30 20 CHED N#Cc1c(F)cccc1C(=O)OC/C=C\c1ccccc1 778372021 PQBOZBNMZXAKDB-YVMONPNESA-N 281.286 3.568 30 20 CHED C=CC[C@H]1N(C(=O)/C=C/c2nccs2)CCCC1(C)C 1123826862 CZAUNEAHKZRJMR-SBDDDAINSA-N 290.432 3.750 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(CC(F)F)C1CCC1 887702710 QVENXGPJNFNBJY-UHFFFAOYSA-N 293.317 3.518 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=C1CCCOCC1 770608365 UEESMLJWQXJCDH-UHFFFAOYSA-N 290.260 3.813 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H](C)[C@@H]1CCC 779963869 NXOFEFIHSOYXFH-HOTGVXAUSA-N 263.425 3.997 30 20 CHED C=C(C)CCC(=O)NCCc1c(C)[nH]c2ccc(F)cc12 1120762583 KAPNJKSKOAWNHT-UHFFFAOYSA-N 288.366 3.630 30 20 CHED Cc1c(C#N)cccc1NCc1ccc2c(c1)COC2 777939918 INSXCEFWMIUJAJ-UHFFFAOYSA-N 264.328 3.509 30 20 CHED C[C@@]1(C(=O)O[C@@H](CC#N)c2ccco2)CC=CCC1 1123370279 UAFNNQHALVELKY-DZGCQCFKSA-N 259.305 3.524 30 20 CHED C=CCC[C@@H](C(=O)NC[C@H]1CCC=CO1)c1ccccc1 781068654 OAXASTPMWSKYFE-IAGOWNOFSA-N 285.387 3.545 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NN[C@@H]1CCOC(C)(C)C1 780245783 AXEXUKRCQYMSFX-UONOGXRCSA-N 286.419 3.754 30 20 CHED C#CCCCCC(=O)OCc1cccc(Cl)c1F 786304227 RESOSDWMGFMMBE-UHFFFAOYSA-N 268.715 3.716 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 888633582 KTLQPKYSZFNPCW-MRXNPFEDSA-N 285.387 3.763 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)[C@@]1(C)CCCO1 782238640 JLFPDRXVMZDNNJ-MRXNPFEDSA-N 260.381 3.969 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@H](C)CC1)C(C)C 785946125 DPKGRIMUJDPVML-KBPBESRZSA-N 252.402 3.561 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1cccc(Cl)c1 782443179 HKXXJTWFOYUOFL-OAHLLOKOSA-N 282.767 3.612 30 20 CHED N#CC1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 782181218 PBQYICANRQZDKG-OAHLLOKOSA-N 260.768 3.563 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H](c3ccccc3F)C2)c(CO)c1 893660041 RJEADNBLSUSSAS-CTYIDZIISA-N 296.345 3.548 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2ccnc(F)c2)cc1 781132300 BZNABSWXGYCDLF-NSHDSACASA-N 287.338 3.821 30 20 CHED CC(C)(C#N)CC(=O)OCCOc1ccc2ccccc2c1 785096604 ULUJKIVVKNQQJI-UHFFFAOYSA-N 297.354 3.702 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C\SCc1ccco1 784138679 KORUASXHXXPGLF-POHAHGRESA-N 293.388 3.900 30 20 CHED CC[C@@H](C)C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 891934779 BMUNRLYUMQGUQH-CQSZACIVSA-N 293.370 3.533 30 20 CHED CC1(C)CCC(=NNc2ccc3c(=O)[nH]ccc3c2)C1 789062683 QGPJZOMEKXQLLW-UHFFFAOYSA-N 269.348 3.506 30 20 CHED CSC1(CNC[C@H](C)CCC#N)CCCCC1 895811524 FNXGDFOMELJMQP-CYBMUJFWSA-N 254.443 3.582 30 20 CHED C(=NNc1cnc2ccccc2n1)c1ccc2cnccc2c1 782222056 XFPPWCIRIXKBRL-UHFFFAOYSA-N 299.337 3.624 30 20 CHED CCCOc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 783292879 CUIGTCUUXVMPBF-AWEZNQCLSA-N 295.386 3.593 30 20 CHED C=CCc1ccccc1OC(=O)[C@H]1CCOC2(CCC2)C1 892448299 KSEIHRMVIQDDPG-HNNXBMFYSA-N 286.371 3.670 30 20 CHED Nc1ccc(/C=C/C(=O)c2cc3c(s2)CCCC3)cn1 899363403 MGOQIYKJBOTKES-FNORWQNLSA-N 284.384 3.500 30 20 CHED N#CCCN(Cc1cccnc1)Cc1ccc(Cl)s1 78663740 ZWYSDNSTGUPDLN-UHFFFAOYSA-N 291.807 3.712 30 20 CHED Cc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)c2n[nH]cc2c1 785811272 UCCSDFJWLDOXOY-HNNXBMFYSA-N 297.358 3.501 30 20 CHED C=C(Br)COc1ccc(Br)cc1 37681501 GOEWHZAXUUIFSV-UHFFFAOYSA-N 291.970 3.737 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)OCc1cccc(C#N)c1 796321991 KEMUUFNQBLTTFD-CVEARBPZSA-N 271.360 3.818 30 20 CHED Cc1ccc(C(=O)NCCCCc2ccccc2)cc1C#N 799300707 XPHHSSPHDZDSOO-UHFFFAOYSA-N 292.382 3.619 30 20 CHED COc1ccc2ccccc2c1C=NNCCC(F)(F)F 794545193 ICXUDJUOAOTZAO-UHFFFAOYSA-N 296.292 3.724 30 20 CHED C[C@H](c1ccco1)N(Cc1cccc(C#N)c1)C1CC1 86233388 RDDVPVYGDRPCBS-CYBMUJFWSA-N 266.344 3.877 30 20 CHED C=CCCCC(=O)OCc1cc(C)ccc1OC(F)F 795445453 JZZJZJPNKOZHPH-UHFFFAOYSA-N 284.302 3.996 30 20 CHED Fc1ccccc1NN=C1CCCC12CCOCC2 799874711 XGWRMCZDYZVIPF-UHFFFAOYSA-N 262.328 3.574 30 20 CHED CSCCON=Cc1ccc(-c2c(F)cccc2F)o1 794574707 MJCHUWOTCINDLL-UHFFFAOYSA-N 297.326 3.938 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)c1ccc2ccccc2c1 797808022 VOVQVQAQOKZWNJ-UHFFFAOYSA-N 290.322 3.890 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1cc(F)ccc1Cl 797887380 GHAINWLDPZTOCL-UHFFFAOYSA-N 293.681 3.609 30 20 CHED N#CC[C@@H](CC(=O)OCc1ccccc1F)c1ccccc1 795980544 FANWUTDSFXNFGV-HNNXBMFYSA-N 297.329 3.956 30 20 CHED O=C1/C(=C\c2ccsc2Cl)Oc2cc(O)ccc21 790213757 BKMJTSPHEOXUOD-VZUCSPMQSA-N 278.716 3.723 30 20 CHED CC(C)C[C@H](C)C=NNc1ccnc(Br)c1 799113016 DZLXFVQCZJVQLE-JTQLQIEISA-N 284.201 3.924 30 20 CHED C#C[C@@H](NC(=O)CCC(C)(C)c1ccccc1)C(C)C 799046351 FWUPIVWOWMFSNL-MRXNPFEDSA-N 271.404 3.518 30 20 CHED FCCC[C@H]1CCCC1=NNc1cccc(F)n1 795010085 WCWACSAEJGUKGO-SNVBAGLBSA-N 253.296 3.538 30 20 CHED CCc1cc(Oc2cc(C)c(C#N)c(C)c2C)ncn1 588081881 MYMYJPRKRHNSDC-UHFFFAOYSA-N 267.332 3.628 30 20 CHED C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C)C(C)(C)C#N 797177077 KLORTTCUFZYPDI-KBPBESRZSA-N 298.386 3.759 30 20 CHED C[C@@H](NN=Cc1ccccc1OC(F)F)C(C)(C)C 793112939 YGBHDWQHIFRPNL-SNVBAGLBSA-N 270.323 3.646 30 20 CHED CCOC(=O)[C@H]1CCC(=NNCC2(C)CCCC2)C[C@H]1C 793085076 XNHHIAYBKKRFIW-HIFRSBDPSA-N 294.439 3.512 30 20 CHED C#CC(C)(C)N(C)Cc1nc(-c2ccc(C)cc2)cs1 796045328 UPQJFOMTVHQVQF-UHFFFAOYSA-N 284.428 3.962 30 20 CHED CSCCCCCCNC(=O)c1ccc(C)c(C#N)c1 799365175 SWHQFQLTIRSTIN-UHFFFAOYSA-N 290.432 3.520 30 20 CHED C=CCCCCCOC(=O)C(C)(C)c1c(C)noc1C 797509932 AMNVMSSHFNIVKK-UHFFFAOYSA-N 279.380 3.859 30 20 CHED CC1(C)CCCN(Cc2ccc(C#N)cc2F)CC1 87657857 UQIFADFYCSRECC-UHFFFAOYSA-N 260.356 3.709 30 20 CHED N#Cc1ccc(NCc2ccoc2)cc1C(F)(F)F 96474316 YJDNOVWXSSWUJA-UHFFFAOYSA-N 266.222 3.782 30 20 CHED C=CCN(C(=O)c1ccc2ccccc2c1O)C(C)C 97636423 BXJULQITQRSZKW-UHFFFAOYSA-N 269.344 3.582 30 20 CHED CC[C@@H]1CC[C@@H](C)N(c2ncc(Cl)c(C)c2C#N)C1 1307167267 UUGHBFFHQVYOFV-ZYHUDNBSSA-N 277.799 3.930 30 20 CHED C[C@@H](Sc1cccnc1C#N)c1cccc(F)c1 1166183039 QTFHJFLOQDUDNI-SNVBAGLBSA-N 258.321 3.946 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(C)c(Cl)c1 1318977853 OWDBNLBZLJDSSL-GFCCVEGCSA-N 266.772 3.863 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C#N)s2)ccc1F 1319685315 OJSZNSKGGIYMMU-UTCJRWHESA-N 287.315 3.664 30 20 CHED C=CCn1cnnc1SCCCCc1ccccc1 1320521598 NEEKFYMDJCONKY-UHFFFAOYSA-N 273.405 3.579 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1cccc(CC#N)n1 1325710266 NXKAMDRYMVYDAG-INIZCTEOSA-N 263.344 3.556 30 20 CHED Cc1c(C#N)cccc1-c1nc(-c2ccccc2F)no1 1329621795 JVXVAEZFONABTN-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C1CCC2(CC1)CCC(=NNCC1CCOCC1)CC2 1320738888 XXDGPPNTELBAQE-UHFFFAOYSA-N 278.440 3.883 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccc(Cl)nc1 1324958544 PZGVLBQLUHKJGW-UHFFFAOYSA-N 286.766 3.651 30 20 CHED C=C[C@H](COC)N[C@@H](C)Cc1c(Cl)cccc1Cl 1320306538 VZOJUUSBOAUANM-WDEREUQCSA-N 288.218 3.715 30 20 CHED C#C[C@@H](C)N(C)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1255902007 IPVOUMNDJAMCQC-SNVBAGLBSA-N 298.213 3.751 30 20 CHED CC1(C)CCC[C@@H](NCCc2ccc(C#N)cc2)C1 1258274225 OZCAFWNWBJIDTM-MRXNPFEDSA-N 256.393 3.659 30 20 CHED N#Cc1ccccc1N(C(=O)[C@@H]1CC12CCC2)C1CCC1 1332587114 DNQJHENHISZLOJ-HNNXBMFYSA-N 280.371 3.634 30 20 CHED C=CC[C@H](NC(=O)CC(C1CC1)C1CC1)c1ccncc1 1339142636 XHHSQBHHRMPYAA-KRWDZBQOSA-N 284.403 3.641 30 20 CHED N#Cc1ccc(COc2ccccc2NC(=O)C2CC2)s1 1334798576 FXAYVYUXLYVJTQ-UHFFFAOYSA-N 298.367 3.547 30 20 CHED C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1C(F)F 1341967126 VAPXJKNJCZFPIX-UHFFFAOYSA-N 294.305 3.544 30 20 CHED CSCC[C@H](C)N(C)c1ccc(C#N)c(Cl)c1 157721687 AUEKSZLYGHRDCW-JTQLQIEISA-N 268.813 3.789 30 20 CHED C#CC[C@@H](OC(=O)c1ccsc1C(F)F)C1CC1 1347436695 CVEZAZZDBJBFRG-SNVBAGLBSA-N 270.300 3.644 30 20 CHED C=C(C)CCC(=O)N1CCc2cc(F)ccc2[C@H]1C 1340628628 ATJVOQGADFOKGW-GFCCVEGCSA-N 261.340 3.628 30 20 CHED C=C(C)CCC(=O)N(C)C/C(C)=C\c1ccccc1 1340630357 QKNOJMWWMXHRBC-QINSGFPZSA-N 257.377 3.905 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)C1 1342631376 BOPSQJWFPTUVMK-ZJPYXAASSA-N 297.398 3.881 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)CCc2cc(O)ccc21 207934242 LLAGCUPIHSKHHM-XFFZJAGNSA-N 286.277 3.883 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2cccc(C)c2)c1 1275797451 WOZCRIYXWJPJAK-AWEZNQCLSA-N 278.355 3.917 30 20 CHED COc1ccccc1[C@H](C)OC(=O)C1(C#N)CCCCC1 1435788168 CLSIDSOYEXDEOY-ZDUSSCGKSA-N 287.359 3.773 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 1507855596 YXYGVXWZFRZCMO-NWDGAFQWSA-N 296.846 3.636 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)c1ccccc1OC 1350090462 XKTOIUPXZOCOPX-UHFFFAOYSA-N 294.354 3.542 30 20 CHED C[C@@H](OC(=O)c1cc2ncccc2o1)c1cccc(C#N)c1 1355926198 LLFSSBHTNWACKK-LLVKDONJSA-N 292.294 3.617 30 20 CHED Cc1cc(=N[C@@H]2CC(C)(C)c3ccccc32)c(C#N)c[nH]1 1458251215 KDDFNJLJUNRCSA-QGZVFWFLSA-N 277.371 3.518 30 20 CHED N#Cc1ccc(F)c(C(=O)OCc2ccc3occc3c2)c1 1531971447 DUMRPTLOOVFYOB-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CC[C@H]1CCN(C(=O)c2ccccc2SCC#N)[C@H]1C 1467293977 RNOJCYBTPGNMDC-STQMWFEESA-N 288.416 3.563 30 20 CHED Cc1cccc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)c1 1531509671 RYZJCXJQRVYLEC-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1cccc(OCC#N)c1 226155610 TYRUZYFLXSEXEF-KEYYUXOJSA-N 272.392 3.503 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NCc2ccc(C#N)s2)C1 1473553625 MCWMDVBHKFPLOF-AVGNSLFASA-N 262.422 3.924 30 20 CHED N#Cc1cnc(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 1612344992 FIINQMLHUDKJQF-HIFRSBDPSA-N 299.324 3.980 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc(O)cc(Cl)c1 1474339238 GGNUZHYNONNKHZ-UHFFFAOYSA-N 280.799 3.807 30 20 CHED Cc1cc(C=NNc2cccc3ccccc23)[nH]c1C(=O)O 1610458719 BJDNSFIXLKPCRX-UHFFFAOYSA-N 293.326 3.621 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc3occc3c2)c(F)c1 1544475807 IAXQZCSODHMUOG-UHFFFAOYSA-N 280.258 3.696 30 20 CHED C#CCCCCC(=O)Nc1cc(C)nc2ccccc12 120477147 PMQYKFPCQRPYND-UHFFFAOYSA-N 266.344 3.675 30 20 CHED CCC(CC)(CNc1ccc(C#N)cc1[N+](=O)[O-])SC 230920859 QJWQEEJKSYFHFL-UHFFFAOYSA-N 293.392 3.800 30 20 CHED C#CCCCCCC(=O)Nc1cccc(C(=O)O)c1Cl 1588440727 MCDFDKLAYJFIAF-UHFFFAOYSA-N 293.750 3.560 30 20 CHED Cc1cc(C#N)cc(N[C@H]2CCc3cccnc3CC2)c1 1657528703 POGMCDKNAMYMTF-INIZCTEOSA-N 277.371 3.621 30 20 CHED C=C(C)C[C@H](NC(=O)C1CCC(CCCC)CC1)C(=O)O 1588537728 WWKHZYFWYFTCBQ-NRXISQOPSA-N 295.423 3.519 30 20 CHED COc1ccc(CN[C@@H]2CCC(C)(C)C[C@H]2C)cc1C#N 1655762849 YTPYUKFRHNKEDI-CZUORRHYSA-N 286.419 3.871 30 20 CHED C[C@H]1Cc2cc(CN(CCC#N)CC(C)(C)C)ccc2O1 1651831138 MNDOFLQZEVYJOO-AWEZNQCLSA-N 286.419 3.772 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1651451697 TWGIENQXPYYYHN-APWOSFEXSA-N 293.823 3.905 30 20 CHED CCc1cccc(Cl)c1CN1CCC[C@@H](C#N)C1 1653091019 KGRWRZNLPDMDBX-LBPRGKRZSA-N 262.784 3.638 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C(C)C)nc2)c1 1583754914 IJHUYJKJNOKCLL-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C=C(CNCc1ccc(C(=O)OC)c(C)c1)c1ccccc1 1661310746 ILPUSLNRSZRZJJ-UHFFFAOYSA-N 295.382 3.585 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2cccc(CC#N)c2)[C@@H]1C 1661888539 UYNUXHCQRLUWBZ-FMKPAKJESA-N 299.418 3.946 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 1679884900 DFYRNZIVVJZFCQ-GFCCVEGCSA-N 289.354 3.741 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cc(F)cc(C#N)c1 1679885684 YOZWKDZOQYCVDX-UHFFFAOYSA-N 277.343 3.788 30 20 CHED Cc1ccc(F)c(C=NNc2cccc(C(=O)O)c2C)c1 1776086618 DXQUNFBJZVGPOQ-UHFFFAOYSA-N 286.306 3.587 30 20 CHED Cc1c(NN=C2CCc3ccsc32)cccc1C(=O)O 1776087644 NUYYEEGENXPIMW-UHFFFAOYSA-N 286.356 3.517 30 20 CHED C[C@@H]1/C(=C\c2ccc(C(=O)O)c(F)c2)C(=O)c2ccccc21 1777407802 HBVBFDAKFGFMNO-CYANDVJASA-N 296.297 3.907 30 20 CHED O=C(O)c1cc(NN=CC2[C@H]3CCCC[C@H]23)ccc1Cl 1776034814 ZXQNIIVIAFEYFT-QWRGUYRKSA-N 292.766 3.872 30 20 CHED CC(C)[C@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776063583 XRIGBUWZYYCKKE-JTQLQIEISA-N 278.327 3.748 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@H]3CCCC[C@@H]3C2)cn1 1776069024 LSYAQTJISMOBCH-VXGBXAGGSA-N 287.363 3.538 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](c1nc(C)cs1)C1CC1 150890691 MPQSRQXKZGBOAS-AWEZNQCLSA-N 290.432 3.787 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)ccc1Br 163999768 FVGHQCINGQLQCT-ZDUSSCGKSA-N 295.180 3.636 30 20 CHED CCN(C(=O)CSCCC(C)C)c1ccc(C#N)cc1 151857286 TZIVZBDCPYLIGU-UHFFFAOYSA-N 290.432 3.690 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1c(C)noc1C)c1ccccc1 152236419 ZMOCCYCEJUHMEF-OAHLLOKOSA-N 298.386 3.610 30 20 CHED C=C(C)CN1CCC(N[C@H](C)CCC=C(C)C)CC1 152974062 YKECMEJHAXGDKC-MRXNPFEDSA-N 264.457 3.751 30 20 CHED CCCCCCCC(=O)N(C)[C@@H]1CCCc2c1cnn2C 155065592 HUZKUTRUGGYBGH-OAHLLOKOSA-N 291.439 3.616 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)c1ccc(C#N)cc1 155573513 IHYHVDKKBRBHKU-MRXNPFEDSA-N 270.376 3.599 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccccc1SC(F)F 155592716 MTASBEYDMSLDJD-SECBINFHSA-N 299.346 3.815 30 20 CHED C=CCCCNc1cc(Cl)ccc1C(=O)N1CCCC1 157155066 ZEVAORJEDGJQTK-UHFFFAOYSA-N 292.810 3.954 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@H](CC)C1 155959333 YAFPOQOHZUJRJF-KBPBESRZSA-N 252.402 3.563 30 20 CHED Cc1ccccc1C(C)(C)CNC(=O)c1sccc1C#N 155985180 WXBGYDCJALOPQY-UHFFFAOYSA-N 298.411 3.636 30 20 CHED C#CCCCCNC(=O)N(CC1CC1)C1CCCCC1 154989758 PASFSJTVOBMSLN-UHFFFAOYSA-N 276.424 3.544 30 20 CHED CCc1nnc(Sc2ccc(C)cc2)c(C#N)c1CC 125400478 LLKQIZMLPYANJK-UHFFFAOYSA-N 283.400 3.933 30 20 CHED N#CC1(CN[C@@H]2CCSc3ccccc32)CCC1 903032027 OQBXWEUGQMGBQQ-CYBMUJFWSA-N 258.390 3.507 30 20 CHED CC(C)c1ccccc1CN1CCC[C@@H](CC#N)C1 826861868 LYJRPZFURKIWKF-HNNXBMFYSA-N 256.393 3.936 30 20 CHED N#C[C@H]1CCCN(Cc2ccc3ccccc3c2)C1 932156291 ABFPWLIYEMJKFW-OAHLLOKOSA-N 250.345 3.575 30 20 CHED CCc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1 135153080 UUKDMERSRQPWTJ-UHFFFAOYSA-N 268.291 3.512 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 252413972 PWFOAPUHFSRCMB-YWAHFTAISA-N 270.351 3.934 30 20 CHED CC(C)C[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 37255382 CVHZSNDAJWXYFO-ZIAGYGMSSA-N 260.381 3.674 30 20 CHED Cc1cccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1F 161425503 PZUHLZRFGJEQKY-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1ccc(NCc2ccc3c(c2)CCO3)cc1Cl 37363021 RGBIORGJBUDYBD-UHFFFAOYSA-N 284.746 3.759 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1c(F)cccc1Cl 49091566 HDOUZTRXLJQRJL-UHFFFAOYSA-N 288.753 3.983 30 20 CHED CCSc1cccc(NC(=O)[C@](C)(C#N)CC)c1 285453388 JFDRCTGUUJWLMH-AWEZNQCLSA-N 262.378 3.677 30 20 CHED CCCC[C@@H](CCC)NC(=O)Cc1ccc(C#N)cc1 177290988 UDAYMHMYPYPWOE-MRXNPFEDSA-N 272.392 3.576 30 20 CHED Cc1c(C(=O)NC2(C#N)CCC2)sc2cccc(F)c12 299545171 XRLIEDGIOGOFNJ-UHFFFAOYSA-N 288.347 3.525 30 20 CHED N#Cc1cccc(CN[C@@H]2CCc3cc(Cl)ccc32)c1 67501621 XCHCOAHTLOILBB-QGZVFWFLSA-N 282.774 3.989 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(F)c1)c1cccs1 192176774 NCUOICFTAZPLOI-CQSZACIVSA-N 274.364 4.000 30 20 CHED N#Cc1cncc(Sc2cc(Cl)ccc2Cl)n1 401265212 QIKZZPAFRZMILP-UHFFFAOYSA-N 282.155 3.806 30 20 CHED C[C@H]1CC[C@@H](C)C[C@H]1NCc1ccc(C#N)c(F)c1 404837853 LGYLDQIOQIFQNV-BFQNTYOBSA-N 260.356 3.612 30 20 CHED Cc1nc(N(CCC(C)C)C2CC2)c(Cl)cc1C#N 311576738 NNVCOGAAWFZCDU-UHFFFAOYSA-N 277.799 3.930 30 20 CHED CCCC[C@@H](C)N(C)Cc1ccc(OC)c(C#N)c1 312096328 FKBYBWJDWYUOQV-CYBMUJFWSA-N 260.381 3.577 30 20 CHED N#CC1(CSc2ncccc2Br)CCC1 334577200 BJWAWURXDWLPLQ-UHFFFAOYSA-N 283.194 3.630 30 20 CHED C=CCOc1ccc(CNC2CC(C(F)(F)F)C2)cc1 561747470 PHAXXUUWAJHSCX-UHFFFAOYSA-N 285.309 3.682 30 20 CHED N#Cc1ccc(N2CCC[C@H](F)C2)cc1C(F)(F)F 357686333 PLWZXFWNIPMXJF-JTQLQIEISA-N 272.245 3.515 30 20 CHED CC(C)(C)[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 481032354 DMYJUUFTYRBCHX-LBPRGKRZSA-N 277.799 3.869 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 804836889 YEAXMRVHAUKLBD-UHFFFAOYSA-N 297.785 3.545 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 804834569 IEZYDCRAFHFARG-UHFFFAOYSA-N 291.394 3.508 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc2c(c1)CCCN2C 926066781 QTPIOSNQSQXXBO-CYBMUJFWSA-N 271.408 3.809 30 20 CHED COc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1 103267988 WYMANEWCFPOBEH-CYBMUJFWSA-N 282.343 3.598 30 20 CHED CCCCCCCCN[C@@H](C)c1cnn(C)c1C 59261238 XEFXVTOXJQQVLG-ZDUSSCGKSA-N 251.418 3.740 30 20 CHED CCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1 52038856 FEXUOMGJNOAOFD-UHFFFAOYSA-N 280.371 3.589 30 20 CHED C=CCCC(=O)N(CC)Cc1cccc(Cl)c1 102226860 JFMNCVGTQMCURN-UHFFFAOYSA-N 251.757 3.655 30 20 CHED N#Cc1cc(COc2c(F)c(F)cc(F)c2F)ccc1F 177337301 XEQIUPXYATVSLY-UHFFFAOYSA-N 299.198 3.833 30 20 CHED C[C@H](NC/C=C/c1ccccc1)c1ccc(C#N)cc1 51790046 BJCJEZNNQVOPCQ-PXTSUWAFSA-N 262.356 3.922 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(Cl)cn2)c1 119276688 XADUMZHSNHOLFD-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](CC)c1ccccc1 103364075 UZPRKZJDBCVVFX-HNNXBMFYSA-N 259.393 3.995 30 20 CHED C#CCOC(=O)c1sc(-c2cccc(Cl)c2)nc1C 61162165 OEBSLWWRYHKGFP-UHFFFAOYSA-N 291.759 3.562 30 20 CHED CC[C@@H](C)N(C(=O)CCc1ccc(C#N)cc1)[C@H](C)CC 119784022 AFFBWHDCMZTNPN-HUUCEWRRSA-N 286.419 3.916 30 20 CHED C=CCN(CCc1ccccc1)Cc1nc(CCCC)no1 65959538 PYOAUEATCXPIED-UHFFFAOYSA-N 299.418 3.643 30 20 CHED N#Cc1cnc(NCCc2ccc(F)c(F)c2)c(Cl)c1 302789554 XXTNYBQFHUVULY-UHFFFAOYSA-N 293.704 3.539 30 20 CHED CC(C)N(Cc1cccc(OCCCC#N)c1)C1CC1 179484744 MOBKKKJMSQUJRV-UHFFFAOYSA-N 272.392 3.742 30 20 CHED N#Cc1cccc(Cl)c1NCCc1ccc(Cl)nc1 301669272 PRBBNRNWMLWLEI-UHFFFAOYSA-N 292.169 3.915 30 20 CHED N#CCCCCNCc1cc(C(F)(F)F)ccc1F 172118672 HGNRPVUUCKXDPR-UHFFFAOYSA-N 274.261 3.628 30 20 CHED C=C(CNCc1ccc(OC)c(OC)c1)c1ccccc1 110057655 VKQCHNUSZNLJJS-UHFFFAOYSA-N 283.371 3.507 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CC=CCC1 69209173 FACDZOLFDNMMDI-INIZCTEOSA-N 284.403 3.741 30 20 CHED O=C(/C=C/c1cnn(-c2ccccc2)c1)c1cccc(F)c1 26761939 ZIMUKDCEIXUXFR-MDZDMXLPSA-N 292.313 3.908 30 20 CHED CC(C)[C@@H](C)CC(=O)N[C@@H](C#N)c1ccccc1Cl 172032642 KHIHBCXVJQUUHB-FZMZJTMJSA-N 278.783 3.703 30 20 CHED Cc1ccc([C@H](C)Nc2ccc(C#N)c(C)n2)s1 311208597 NYHSEOWOQZZUHR-NSHDSACASA-N 257.362 3.805 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)Cc1ccc2c(c1)CCC2 170898459 DJDVETQISTYEHT-UHFFFAOYSA-N 298.430 3.506 30 20 CHED CCCCc1noc(CSCc2ccc(C#N)cc2)n1 121653944 ZFRUHMXLLRMUJW-UHFFFAOYSA-N 287.388 3.717 30 20 CHED C=CCCC(=O)N(C)[C@H]1C[C@@H](OCC)C12CCCCC2 303948851 SPUWHYSRBKOQHZ-LSDHHAIUSA-N 279.424 3.539 30 20 CHED Cc1cc([C@@H](C)NCC#Cc2ccc(F)cc2)c(C)o1 183781599 PPSCRPZVLVQWAG-CYBMUJFWSA-N 271.335 3.738 30 20 CHED C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)s1 124002427 ZFYOHFLSYGKXEQ-LLVKDONJSA-N 272.373 3.518 30 20 CHED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1F 185809863 DJAOEACCZQXBGM-UONOGXRCSA-N 274.383 3.775 30 20 CHED Cc1nc2ccccc2c(NCCCCC#N)c1C 181883028 VDHHQSWSXYDZAV-UHFFFAOYSA-N 253.349 3.957 30 20 CHED C[C@@H](c1ccccc1)[S@@](=O)Cc1ccc(C#N)cc1 125369300 PDFVPWBYUAAKHX-ORAYPTAESA-N 269.369 3.568 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc(OCCF)c2)C1 185750092 PWENUTWNWDKGJC-OLZOCXBDSA-N 262.328 3.529 30 20 CHED CCC(CC)[C@@H]1C[C@H](NCc2cc(C#N)cs2)CCO1 180374817 KHBDKWNYQOTMBP-ZBFHGGJFSA-N 292.448 3.693 30 20 CHED CC(C)Cn1cc(/C=C2/CCOc3ccccc3C2=O)cn1 180735615 HQSIOTPEZOXLFW-DHDCSXOGSA-N 296.370 3.588 30 20 CHED CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(C#N)c1 183446121 ZOGQTRKYWHEDMB-UHFFFAOYSA-N 296.374 3.677 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]2CCC[C@@H]21 181374106 DDUYHJXXZOELLG-KKUMJFAQSA-N 264.413 3.705 30 20 CHED CC(C)(C)[C@H](NC(=O)CC#N)c1cccc(C(F)(F)F)c1 184917597 UBHXTSCCHPKAAR-CYBMUJFWSA-N 298.308 3.822 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1cncc2ccccc12 410121839 ASDFTUMXLGWFAY-INIZCTEOSA-N 282.387 3.638 30 20 CHED CC[C@@H](CC#N)NC(=O)CCC(C)(C)c1ccccc1 183799407 MUDORXSPSIIASE-HNNXBMFYSA-N 272.392 3.553 30 20 CHED Cc1ccc(-c2nc(C)c([C@@H](C)NCC#N)s2)cc1 184543103 MLJVRRGMCOTOBM-LLVKDONJSA-N 271.389 3.601 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Oc2cccnc2)cc1 410124884 VLVJXZYJWUPBOU-OAHLLOKOSA-N 296.370 3.958 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)c1cccc(C#N)c1 129642888 NKAFPVHWBRRMTJ-KRWDZBQOSA-N 284.403 3.989 30 20 CHED C[C@@H](N[C@H](CO)CC1CCCCC1)c1cccc(C#N)c1 417365269 LXIULPYNNIYILM-KDOFPFPSSA-N 286.419 3.540 30 20 CHED C=CCCN(Cc1ccncc1)OCc1ccccc1 187376856 VLFFFYSLAWAVED-UHFFFAOYSA-N 268.360 3.592 30 20 CHED CC#CCCCC(=O)Nc1cc(F)cc(Cl)c1 186041686 PZAIPYXYPZAOOJ-UHFFFAOYSA-N 253.704 3.611 30 20 CHED COc1ccccc1CCCOc1ccccc1C#N 503278059 RYPPHKZYWQDVJW-UHFFFAOYSA-N 267.328 3.578 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(CSC)cc1 188508729 VEBPZGMTCYHDQQ-MRXNPFEDSA-N 293.432 3.717 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)CC1CCCCC1 182150883 SBTGCYAAHFBPCB-CYBMUJFWSA-N 286.375 3.886 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 186835798 OCDRCXWPLMBUQR-CJNGLKHVSA-N 290.794 3.857 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N 182076379 SZQZHYZRFDLVAJ-AGIUHOORSA-N 274.364 3.598 30 20 CHED C=CCOCCSCc1csc(-c2ccoc2)n1 419414234 TVHLZQSKKKMZIS-UHFFFAOYSA-N 281.402 3.839 30 20 CHED CC(C)C[C@H](C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416706406 XWVQRQIDBSOLHM-GUYCJALGSA-N 299.418 3.669 30 20 CHED C=C(C)CN(C)C(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 183049854 FDBYPDHKOQYOJU-GFCCVEGCSA-N 293.794 3.583 30 20 CHED N#CCN(C(=O)c1ccc(C2CCC2)cc1)C1CCCC1 187875960 FXXWORVLHDEELX-UHFFFAOYSA-N 282.387 3.862 30 20 CHED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(C)(C)C#N 188943202 NOGROIJIZHIMBX-NWDGAFQWSA-N 292.810 3.840 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(F)cc2OC(F)F)C1 185751060 OLSGVRLIUFYTMW-KOLCDFICSA-N 284.281 3.921 30 20 CHED CN(C(=O)NCC(C)(C)CC#N)[C@@H]1CCC[C@H]1C(C)(C)C 419508167 QMRNAGPQCCMWTD-ZIAGYGMSSA-N 293.455 3.782 30 20 CHED Cc1ccc(C)c(SCC(=O)N(CCC#N)C(C)C)c1 603901877 GBBIPGPCJJSQDE-UHFFFAOYSA-N 290.432 3.546 30 20 CHED C=C(C)[C@H](NCc1ccccn1)c1ccc(F)c(F)c1 187372287 HYZLGRIFAHPCKE-INIZCTEOSA-N 274.314 3.767 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(F)cc1F 186317634 ZVLIHCLYRPJZDY-GFCCVEGCSA-N 286.325 3.996 30 20 CHED C=CCCCNC(=O)N(C)[C@H](CC)c1ccccc1OC 503400217 XIYVVLWDHBPWEJ-OAHLLOKOSA-N 290.407 3.754 30 20 CHED N#CCCN(CCC#N)Cc1cc2ccccc2s1 159549554 RKZZMCXRUHJGJK-UHFFFAOYSA-N 269.373 3.531 30 20 CHED C=CCSCCNC(=O)C[C@@H]1CCCCC1(C)C 503264215 YBIQLOGOYNMNKY-ZDUSSCGKSA-N 269.454 3.628 30 20 CHED C[C@H](/N=C(/O)[C@@H]1CCSc2ccccc21)c1cn[nH]c1 328792685 AJNLFOUYFBYDLA-GXFFZTMASA-N 287.388 3.707 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329613167 CRSXKBZWQQXCGV-MELADBBJSA-N 273.380 3.980 30 20 CHED COc1cc(OCC2CCC(F)(F)CC2)ccc1C#N 413001556 DAHGGFDQYUFCHG-UHFFFAOYSA-N 281.302 3.771 30 20 CHED N#CC1(COc2cccc(OCC(F)(F)F)c2)CCC1 418874038 YWUKLHQBYTYKPG-UHFFFAOYSA-N 285.265 3.700 30 20 CHED COC[C@@H](Cc1ccccc1)N(C)CCCC(C)(C)C#N 191482872 NISDMUUXVRZERI-QGZVFWFLSA-N 288.435 3.506 30 20 CHED C[C@H](SCC[C@H]1CCCO1)c1ccc(C#N)cc1 190041040 LUXVMVVZIAJJDH-SWLSCSKDSA-N 261.390 3.922 30 20 CHED CCCC[C@@H](CC)/C(O)=N/S(=O)(=O)c1cccs1 48427108 BLLXVNMKMYIERB-SNVBAGLBSA-N 289.422 3.610 30 20 CHED C[C@@H]1CCC[C@@H](CC/N=C(/O)[C@H]2CCCC(O)=N2)C1 328789079 KMWSKKLVJMANIX-FRRDWIJNSA-N 266.385 3.668 30 20 CHED N#C[C@H]1CCC[C@H]1NC(O)=Nc1cccc(C2CCC2)c1 329607442 IKGHXLFQKYGANQ-GDBMZVCRSA-N 283.375 3.781 30 20 CHED Cc1nc(Cl)ccc1NCc1ccc(C#N)cc1 83429325 FYFUWYHXYUSYSM-UHFFFAOYSA-N 257.724 3.527 30 20 CHED COCCOc1ccccc1/C=C/C(=O)c1ccc(C)cc1 83522385 JAAPOGBTTOOUIF-VAWYXSNFSA-N 296.366 3.916 30 20 CHED C=CCOc1cccc(CN2CC[C@H]3CCC[C@H]32)c1 428461918 QMPKVBMVTNRHSB-NVXWUHKLSA-N 257.377 3.626 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CC)cc1 512490406 XTNYRTYGPUYBFW-RHSMWYFYSA-N 287.403 3.950 30 20 CHED C[C@H]1CN(c2nc(Cl)c(C#N)s2)[C@H]1c1ccccc1 288402636 MXPRVAFRHUHSKC-JOYOIKCWSA-N 289.791 3.866 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(O)=Nc1cn(C)nc1-c1ccccc1 329533058 KDIPGTZYNWSXBR-CHWSQXEVSA-N 298.390 3.505 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@H](C)CCSC)c1ccccc1 135239695 XMHHLGUMMPITLC-CABCVRRESA-N 291.460 3.946 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425133770 TWJNVWTXXPRXND-MJBXVCDLSA-N 272.392 3.760 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc(Cl)cc(Cl)c1 48065687 NXKKQKUBAGGLTJ-SECBINFHSA-N 285.174 3.615 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2ccc(C3CCC3)cn2)CCC1=O 329444105 KQQDEUNHOHAVEF-DGCLKSJQSA-N 286.375 3.942 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 421140264 MNTLSYJCNFDRQL-UHFFFAOYSA-N 286.375 3.636 30 20 CHED CCCCOc1ccc(C(=O)N(CCC#N)C(C)C)cc1 42530354 CHOXOBSIHHPYBQ-UHFFFAOYSA-N 288.391 3.630 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCCc2cc(N)ccc21 423352331 KGJCBVVUBCUXPN-DOTOQJQBSA-N 258.409 3.981 30 20 CHED CC(C)CC[C@@H]1CCCCN1C(=O)NCC1(CC#N)CC1 332099646 AUJJZGNWCUSGBA-HNNXBMFYSA-N 291.439 3.681 30 20 CHED C[C@H](CCN(CCC#N)Cc1cccnc1)c1ccccc1 193598349 HTABKNWWNWZGRF-QGZVFWFLSA-N 293.414 3.991 30 20 CHED CCCOc1cccc2c(NC[C@@H](C)C#N)ccnc12 194722217 YCGPVDOSWYWAOZ-LBPRGKRZSA-N 269.348 3.595 30 20 CHED C=CCCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 338619876 YQKYHWRHXZTKRL-UHFFFAOYSA-N 291.354 3.930 30 20 CHED N#CC1CCN(Cc2cc(Cl)cc3cccnc23)CC1 142031858 IOXPJPFTWWUOKJ-UHFFFAOYSA-N 285.778 3.624 30 20 CHED C=CCC[C@H](C(=O)Nc1nc(C)ccc1O)c1ccccc1 429122186 OJYXYWUHENKOTO-HNNXBMFYSA-N 296.370 3.784 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCCN(C)c1ccccc1 424603931 GQTLGJAIQMLOJA-UHFFFAOYSA-N 288.435 3.622 30 20 CHED N#Cc1ccc2c(c1)[C@@H](Nc1ccc3c(c1)CCN3)CC2 423219819 UOURTPXCVXKFJS-SFHVURJKSA-N 275.355 3.626 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2Cl)C1 424198425 PELNZCXGFLBCKL-JOYOIKCWSA-N 269.175 3.775 30 20 CHED C=C[C@H](C)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 237582813 WYSGSIVZDNYJRR-NSHDSACASA-N 295.308 3.555 30 20 CHED CC[C@H](C)CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 420880561 QBIBTSHVDWXNNS-UAGQMJEPSA-N 299.418 3.514 30 20 CHED CC[C@H](C)CN(C)C(O)=Nc1cnn([C@@H](C)CC)c1C 331107506 GZGKPSQTLACLRV-RYUDHWBXSA-N 280.416 3.686 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)c1cccc(F)c1 335329924 AOVUAPBANIZXSW-UHFFFAOYSA-N 286.281 3.503 30 20 CHED COc1ccccc1CCCSc1cccnc1C#N 516089272 WHFSEUHPWUPDLZ-UHFFFAOYSA-N 284.384 3.687 30 20 CHED CC[C@@H](NCc1cc(C#N)cs1)c1cccs1 93492503 JXLBJYAHADHDIE-GFCCVEGCSA-N 262.403 3.922 30 20 CHED N#Cc1ccc(CNCC(F)(F)c2ccc(Cl)cc2)o1 513001308 FBYGBNAOXYZQBD-UHFFFAOYSA-N 296.704 3.686 30 20 CHED CC(C)(C)c1cnc(CNc2snc(Cl)c2C#N)o1 92663726 LOCWNAVNZNMBOQ-UHFFFAOYSA-N 296.783 3.566 30 20 CHED C=C(C)COc1cc(CN(C)C2CCC2)ccc1OC 93475977 HKIWNPADILLOJD-UHFFFAOYSA-N 275.392 3.634 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)cc2F)s1 49183534 ADWRAHQHSRDLLR-NSHDSACASA-N 274.364 3.918 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(OC)ccc1OCC 425479191 QMJIQWNBQMRWGJ-UHFFFAOYSA-N 277.364 3.635 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 336625995 CUMCSUDZWNIAAZ-UHFFFAOYSA-N 289.338 3.612 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1Oc1ccncc1 338136972 QTXDLAPWYOVJHV-UHFFFAOYSA-N 294.354 3.688 30 20 CHED N#CCC1(CNCc2ccc(F)c(Cl)c2Cl)CC1 430059115 OKIYOPRGJKPDCT-UHFFFAOYSA-N 287.165 3.916 30 20 CHED C=C(C)[C@H](CC(=O)N1c2ccccc2CC[C@@H]1C)OCC 339588530 ANLOACNCDHRAKG-YOEHRIQHSA-N 287.403 3.726 30 20 CHED COc1cccc2c1CC[C@@H]2NC1CCC(C)(C#N)CC1 336221523 NTJCMWAUWNYTNV-MNQCNDSGSA-N 284.403 3.745 30 20 CHED Cc1ccc([C@H](NCCCC#N)c2ccccc2)cc1 96980242 QXMJPWXRXMOANS-GOSISDBHSA-N 264.372 3.978 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2ccn(C)c2c1 439373785 ATTNMDDUGIZPEC-ZDUSSCGKSA-N 271.364 3.655 30 20 CHED N#Cc1ccc(NC[C@H]2CCCN2C2CCCCC2)cc1 435590368 VTLBSYWDCAYVPY-GOSISDBHSA-N 283.419 3.767 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)s1 345801201 UHVSOVFUZMDYEE-OUAUKWLOSA-N 296.823 3.513 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 248824425 JWHGNGFTOGNRMH-LUKYLMHMSA-N 273.420 3.607 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 247406295 PTUUZFDENAPGRA-JKIFEVAISA-N 299.418 3.524 30 20 CHED C=C(C)CN(CC)C(=O)CSCCC(C)(C)C 526115353 PFEYRGBVZVUWKA-UHFFFAOYSA-N 257.443 3.580 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCCc3ccccc32)C1 249054689 YHDIFABYYNBVTN-UKPHBRMFSA-N 254.377 3.736 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)[C@H]2CCCO2)C1 248874740 JANFNAXRCOYAKZ-SPUZQDLCSA-N 284.403 3.579 30 20 CHED C=CCCC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 436185328 ZLBNJWWAFPRLTE-UHFFFAOYSA-N 295.386 3.791 30 20 CHED CC[C@H](OC1CCCC1)C(=O)Nc1scc(C)c1C#N 344906956 YMXUNRBUGHJKEI-ZDUSSCGKSA-N 292.404 3.605 30 20 CHED CC[C@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 435030335 ZZUUPZHWOYBUMM-HNNXBMFYSA-N 296.414 3.629 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C#N)oc1C)CCC2 344674054 XQYJAAOXPHIGTI-QGZVFWFLSA-N 294.354 3.576 30 20 CHED CCCC1(CNC(=O)Nc2cccc(C#N)c2C)CCC1 431719011 MXLHJZOMYANXBF-UHFFFAOYSA-N 285.391 3.959 30 20 CHED CN1CCCN(Cc2cc(F)ccc2C#N)c2ccccc21 345763419 BRWVBEUSXQLPBL-UHFFFAOYSA-N 295.361 3.544 30 20 CHED C[C@@H](CC#N)N[C@@H]1CCCc2ccc(Br)cc21 602869496 OIKTZJDZJUYRGO-IINYFYTJSA-N 293.208 3.718 30 20 CHED Cc1cc(CN2CC3(CCC3)[C@@H]2C(C)C)ccc1C#N 430093514 FWCSWBJLIDWGJY-KRWDZBQOSA-N 268.404 3.877 30 20 CHED C=CCC[C@@H](NCC(=O)OC(C)(C)C)c1ccccc1 342469925 HGKRHOVWHMUVIB-OAHLLOKOSA-N 275.392 3.625 30 20 CHED O=C1/C(=C/c2csc([N+](=O)[O-])c2)Cc2ccc(F)cc21 254985581 XXYPERFNAOMPKB-XCVCLJGOSA-N 289.287 3.618 30 20 CHED CCc1cccnc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 346919411 QNWHHFDSYBJPRA-GFCCVEGCSA-N 299.399 3.714 30 20 CHED C=CCCCC[C@H](C)NC[C@H]1CCO[C@@H]1C(=C)C 449299081 KORDTIQZGNDVFM-ARFHVFGLSA-N 251.414 3.692 30 20 CHED C=CCCC(=O)Nc1nnc(-c2ccccc2Cl)s1 522537927 SUVIKNDSVJFZPV-UHFFFAOYSA-N 293.779 3.763 30 20 CHED C=C(C)CCNCc1ccc(OC)c(OCCC)c1 449479170 UTJJWCYXPBZTMT-UHFFFAOYSA-N 263.381 3.540 30 20 CHED COc1ccc2oc(/C=C\C(=O)c3cccnc3)cc2c1 255154277 PFSSGQBVQHJWTR-XQRVVYSFSA-N 279.295 3.733 30 20 CHED COc1ccc(C(C)=O)cc1OCc1ccc(C#N)c(C)c1 352333495 RJUUSWSRIZIXOO-UHFFFAOYSA-N 295.338 3.657 30 20 CHED N#Cc1c(F)cccc1N1CCCO[C@@H](c2ccccc2)C1 609233183 RXRWYQRQRCVOGA-GOSISDBHSA-N 296.345 3.665 30 20 CHED Oc1ccc2ccccc2c1/C=N\[C@@H]1CCC[C@@H]2OCC[C@@H]21 255894779 UHPAEMHBCVHNEL-TYPGAAMLSA-N 295.382 3.922 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1c1ccc(F)cc1 602435115 QYODBNGRXAZBCX-CJNGLKHVSA-N 260.356 3.902 30 20 CHED Cc1occc1-c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1 354023981 JARJRZSGTPVMFU-LLVKDONJSA-N 295.298 3.650 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(Cl)cc1F 602624638 LQQWFRCMCAQBTC-JTQLQIEISA-N 254.736 3.509 30 20 CHED C=CCC[C@H](NCc1cncc(C)c1)c1ccco1 353621019 KZENZORITWEWET-HNNXBMFYSA-N 256.349 3.780 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCCNc1ccccc1)CC2 353251999 IOXNWOIVBKIHHZ-LJQANCHMSA-N 291.398 3.637 30 20 CHED CC1(F)CC(NCc2ccc(C#N)cc2C(F)(F)F)C1 449374922 DHHSJVSHVGKNPA-UHFFFAOYSA-N 286.272 3.557 30 20 CHED COCCCSc1nc(-c2ccccc2)ccc1C#N 357720044 FPECPEIYRADGNB-UHFFFAOYSA-N 284.384 3.749 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1cccs1 610347186 UQNGEZCJQISYEG-NEPJUHHUSA-N 299.399 3.741 30 20 CHED C=CCC[C@@H](CC)NCc1cnc(OC)c(Cl)c1 449459475 LJTPDLJSWKITNO-GFCCVEGCSA-N 268.788 3.578 30 20 CHED CCC(CC)[C@H](C)C(=O)N(CC)c1ccc(C#N)cc1 534178332 XPMYHLQKDQXUHX-ZDUSSCGKSA-N 272.392 3.983 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@@H](C)C1CCC1 356557061 XRYVKCZDZOSYHS-ZDUSSCGKSA-N 273.376 3.512 30 20 CHED COc1ccc(CC/C(C)=N/OCc2ncc(C)o2)cc1 266258276 DECVGGUBFFISMA-LDADJPATSA-N 288.347 3.517 30 20 CHED CC[C@@H](CC(F)(F)F)NCc1ccc(C#N)c(C)c1 443999420 SZOUMZAHGKGNSI-ZDUSSCGKSA-N 270.298 3.687 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)CCc1ccco1 539391547 KULBJOBBUSXTGR-KBPBESRZSA-N 278.396 3.645 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@H]1C 354083079 MYLCNCXYNTWCLE-TZMCWYRMSA-N 285.391 3.755 30 20 CHED Cc1cc(COc2cccc(-n3ccnc3)c2)ccc1C#N 447320118 WQJXJSIQDUCCBF-UHFFFAOYSA-N 289.338 3.631 30 20 CHED CS[C@@H](C)CCC(=O)N(C)c1cc(Cl)ccc1C#N 359065499 OQRRZNDUTPMKMJ-JTQLQIEISA-N 296.823 3.706 30 20 CHED CC[C@@H](CC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612246302 XDSGXPFJPSEPAF-YJBOKZPZSA-N 284.403 3.723 30 20 CHED CC(C)CC[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 610357531 ODONIDPETIJITO-ZIAGYGMSSA-N 287.407 3.743 30 20 CHED Cc1cc(N(CCC#N)CCC(C)C)ccc1[N+](=O)[O-] 356776611 KDWQSANZRQCQCD-UHFFFAOYSA-N 275.352 3.669 30 20 CHED C[C@@H](CCC#N)CN1CCN(C)c2ccc(Cl)cc21 619568719 XLPNYUHKVJBAOF-LBPRGKRZSA-N 277.799 3.536 30 20 CHED CC1CC(C#N)(C(=O)Nc2cc(-c3ccccc3)ns2)C1 532616848 UKHGERKJPSSKMC-UHFFFAOYSA-N 297.383 3.688 30 20 CHED C=CCOc1ccc(CNCCOCC(=C)C)cc1Cl 531883839 QRFCEWWENKVETC-UHFFFAOYSA-N 295.810 3.587 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1C 539461126 QWOQEZDOZDXJLC-RDBSUJKOSA-N 252.402 3.609 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1CC(=O)c1cccs1 268035121 WITQQKJGEWYNON-ZDUSSCGKSA-N 291.416 3.668 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc([C@@H]2CCCC[C@@H]2CC)no1 453188932 RCQQBTLTORVSAD-DGAVXFQQSA-N 276.380 3.812 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 362803438 ZLNNNRGKCOLUTQ-ZIAGYGMSSA-N 287.428 3.693 30 20 CHED N#CC1(CN(C2CC2)[C@H]2CCc3ccccc32)CCC1 450517914 GZPJGNADELQWMW-KRWDZBQOSA-N 266.388 3.832 30 20 CHED Cc1cc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1C#N 618752347 MFSNRCAHPJLDSJ-AEFFLSMTSA-N 298.430 3.505 30 20 CHED N#Cc1ccc(N2CC[C@@H](CSc3ccccc3)C2)cn1 267374905 KMSJQGMHPUKPIX-CQSZACIVSA-N 295.411 3.572 30 20 CHED C=C(CC)CSc1nnc(-c2cccc(C)c2)n1C 539112826 IJMRAHCMJZLCQI-UHFFFAOYSA-N 273.405 3.849 30 20 CHED C=CCN(CC=C)C(=O)c1c(Cl)ccc(F)c1C 361450423 UWNVIBUZOCIOMR-UHFFFAOYSA-N 267.731 3.602 30 20 CHED C=CCC1(NC(=O)C2CCN(C(C)C)CC2)CCCCC1 456360931 DYBFFURNFHVVLA-UHFFFAOYSA-N 292.467 3.502 30 20 CHED C=CCC1(C(=O)N2CCc3cccc(Cl)c3C2)CCC1 458017039 OZZNPVXBUZQMGD-UHFFFAOYSA-N 289.806 3.971 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Oc2cccnc2)c(C)c1 362627901 OZUDVLWKTVZOJG-CYBMUJFWSA-N 297.358 3.878 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCC2(F)F)CCCC1 452830736 TTXWRVZVUWSFHG-LBPRGKRZSA-N 271.351 3.675 30 20 CHED CC(C)(C)N1CCCN(c2c(Cl)cccc2C#N)CC1 610274859 JUNVIIILOVJOMA-UHFFFAOYSA-N 291.826 3.522 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1c(F)cccc1F 274305284 VGOPSWGNSLIORG-MNOVXSKESA-N 267.319 3.744 30 20 CHED C=CCN(C(=O)C[C@@H](C=C)c1ccccc1)C1CC1 271432551 BJOPYWNMEDOXBD-CQSZACIVSA-N 255.361 3.523 30 20 CHED C=CCC1(NC(=O)c2cc(C)n(C)c2C)CCCCC1 456387310 UTKWBYSOPFLVJQ-UHFFFAOYSA-N 274.408 3.651 30 20 CHED C=CCC1(NC(=O)c2cc3ccccc3c(O)n2)CCCC1 619115047 SGONYJUWYOMVPD-UHFFFAOYSA-N 296.370 3.559 30 20 CHED COc1ccc(Oc2ccc(CNC[C@H](C)C#N)cc2)cc1 541763109 CCMPMDIQEPDRCY-CQSZACIVSA-N 296.370 3.737 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 456324855 PTJYWPJULDEOQT-INIZCTEOSA-N 286.419 3.776 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 455326090 OGNFFHVADCHXAQ-WBVHZDCISA-N 286.419 3.849 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 455331841 XFPNZJRBDVCUPZ-MRXNPFEDSA-N 290.382 3.947 30 20 CHED CC(C)C[C@]1(C)CCCN1CCCSCC#N 451291788 RPUNJZRFAHURJB-AWEZNQCLSA-N 254.443 3.534 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cn(CC(C)C)nc1C(F)F 451622087 FAESVDIVKBOFMC-LLVKDONJSA-N 299.365 3.561 30 20 CHED C=CCCCc1nc(CCCOc2ccc(F)cc2)no1 547057574 WEVIUFIHAKEQKV-UHFFFAOYSA-N 290.338 3.729 30 20 CHED CCCc1ncc(C(=O)Nc2cc(C)cc(C#N)c2)s1 456975780 ZXBRWUJFSVLAIN-UHFFFAOYSA-N 285.372 3.528 30 20 CHED CCc1cccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)n1 453688847 HSAYSRSOIOWDDZ-GFCCVEGCSA-N 299.399 3.714 30 20 CHED COC(=O)[C@H](Cc1ccc(C)cc1)S[C@@H](C)CCC#N 279858074 FMNOYCBVGMVBKE-ZFWWWQNUSA-N 291.416 3.505 30 20 CHED C[C@H](NC(=O)Nc1cccc(CC#N)c1)[C@H]1C[C@H]2CC[C@H]1C2 455942739 IHWPPTALUVCIOI-NZUILWFCSA-N 297.402 3.699 30 20 CHED CC1(C)Cc2ccsc2CN1C(=O)c1ccc(C#N)cc1 457334356 WBPGLBCJJGNBOO-UHFFFAOYSA-N 296.395 3.597 30 20 CHED C=C[C@@H](Cc1nc(-c2cc(C)ccn2)no1)c1ccccc1 546294588 HWJNPNXGACNXIZ-AWEZNQCLSA-N 291.354 3.952 30 20 CHED C=CCCN(C)[C@@H](C)c1ncc(-c2ccccc2)o1 276515708 YBVDSAMOQSFJNL-ZDUSSCGKSA-N 256.349 3.911 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](c2cccc(C)c2)C1 466382407 GMRXDIJNFTUYNC-SJORKVTESA-N 286.419 3.849 30 20 CHED CC#CCCn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 462354565 DRKQLOLARYBGRQ-UHFFFAOYSA-N 294.185 3.974 30 20 CHED CC[C@H](CC#N)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 273811076 AVLMRAFGVMUGOX-MRVPVSSYSA-N 287.241 3.718 30 20 CHED C=CC[C@@H](C(=O)N(CC)CC(F)(F)F)c1ccccc1 275060063 HOZUUENSIJSLHF-CYBMUJFWSA-N 285.309 3.757 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 276914355 LKWPSLJLKYWMFU-YLQAJVPDSA-N 293.382 3.620 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 270497411 YFEHFNXYSCDOSH-BZSNNMDCSA-N 296.414 3.725 30 20 CHED CC#CCN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 540522247 RVAZWUHSQBXRKO-LLVKDONJSA-N 295.226 3.922 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1cccc(Cl)c1 545919527 WIROYJJSOKBNBO-MRXNPFEDSA-N 292.810 3.717 30 20 CHED CC[C@@H]1CCCCN1c1ncc(Cl)c(C)c1C#N 541277433 HENDBRNKXZKXHY-LLVKDONJSA-N 263.772 3.684 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1ccc(F)cc1Cl)OCC 622930469 BVMXASGJURFLRH-AWEZNQCLSA-N 299.773 3.813 30 20 CHED C=C[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 465115233 XULXQARBWBVXDU-JTQLQIEISA-N 285.368 3.612 30 20 CHED C=CCOc1ccc(CNC(=O)c2ccc(C=C)cc2)cc1 557365972 KKQPGBVSAXTFAI-UHFFFAOYSA-N 293.366 3.824 30 20 CHED CC#CCSc1nc2cc(Cl)cc(C)c2o1 463208033 VTWVGAOESLHUHM-UHFFFAOYSA-N 251.738 3.905 30 20 CHED CC(C)c1ccc(C[C@@H]2CCN(CCC#N)C2)cc1 460982487 XLXDEDCGNASRSU-INIZCTEOSA-N 256.393 3.588 30 20 CHED C=CCC[C@H](NCCCCOCC)c1ccco1 285611604 KGQJJVUZLOEXHA-AWEZNQCLSA-N 251.370 3.693 30 20 CHED C[C@H](NCC1CCC(C#N)CC1)c1ccc(F)c(F)c1O 282224390 ICOUTCAEYYXPDL-UNXYVOJBSA-N 294.345 3.651 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)c1cccc(C(C)C)c1 285112849 ONFIJPOCJLOBPJ-INIZCTEOSA-N 258.365 3.713 30 20 CHED C=CCC1(NCc2ccc3nccnc3c2)CCCC1 634986125 MKMQHXJKVCDJCX-UHFFFAOYSA-N 267.376 3.608 30 20 CHED C[C@H]1CN(CCOc2ccccc2C#N)[C@@H]1c1ccccc1 471022601 ODUZWJOTYQPWKK-KXBFYZLASA-N 292.382 3.630 30 20 CHED C=CCN(CC=C)C(=O)c1scc(C)c1Cl 478058488 KWIPZUOHRWRYRR-UHFFFAOYSA-N 255.770 3.524 30 20 CHED C=CCCCCCCNC(=O)N[C@H](CC)C1CCOCC1 806003547 JUCDZZZKZCLCIK-MRXNPFEDSA-N 296.455 3.627 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 800220965 FJCFBPROJXJLMH-IEBWSBKVSA-N 291.398 3.769 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCCCCCC1 809892900 HCBHOKGYQHGSHE-UHFFFAOYSA-N 296.418 3.902 30 20 CHED CCCC[C@H](C)C(C)=NNc1ncccc1[N+](=O)[O-] 807977417 MIAUFBIJDUHIIC-JTQLQIEISA-N 264.329 3.604 30 20 CHED N#CCCCCCC(=O)Oc1cccc(Br)c1 805846510 NJQVYNHTOBRZOP-UHFFFAOYSA-N 296.164 3.829 30 20 CHED CCCC[C@H](C)C(C)=NNc1cncc(Cl)n1 807963101 VTOKFFQQLALZEJ-VIFPVBQESA-N 254.765 3.744 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](C)C(F)(F)F)CCCC1(C)C 470304348 VOOHZXODFDBSCO-GHMZBOCLSA-N 277.330 3.778 30 20 CHED C#Cc1ccc(CNc2cnn([C@H](C)CC)c2C)cc1 809653310 XYTRIIXPLRGGOP-CYBMUJFWSA-N 267.376 3.756 30 20 CHED C=CCCC1(C(=O)N2CCc3c(C)cc(C)cc3C2)CC1 476818005 DFBMSKAHZLLGFX-UHFFFAOYSA-N 283.415 3.935 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cccnc1-c1csc(C)c1 806446197 PAJAOFAZQHVWEC-ZDUSSCGKSA-N 299.399 3.652 30 20 CHED CCCN(CCN1CCCCCC1)CCC(C)(C)C#N 569617385 CZTAYWFAAVAOIX-UHFFFAOYSA-N 279.472 3.514 30 20 CHED C[C@@H]1[C@H](NCc2ccc(C#N)s2)C[C@H]1c1ccccc1 561566036 NFQLECQAIIFDNS-JCURWCKSSA-N 282.412 3.902 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@@H]1CC[C@H](C)C1 807989536 OQFKHSYJTWFFMU-CMPLNLGQSA-N 261.325 3.737 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CC12CCCCC2 479574077 FVYGVAPXYYLLME-CQSZACIVSA-N 276.424 3.936 30 20 CHED COC(=O)c1c(F)cccc1NN=C1CCC12CCCC2 800817474 SJFCJCBOWSJZFR-UHFFFAOYSA-N 290.338 3.734 30 20 CHED C=CCCCCNC(=O)c1cccn1C1CCCC1 474678511 RYWDZLSYZVPPLX-UHFFFAOYSA-N 260.381 3.689 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1COc2ccccc2[C@@H]1O 808730608 IAFFEVYNKVOXKU-ZVZYQTTQSA-N 289.419 3.596 30 20 CHED Cc1nc(N[C@H]2CCOC3(CCCCC3)C2)ccc1C#N 291833258 GMBNLBKNZZVEHE-HNNXBMFYSA-N 285.391 3.556 30 20 CHED CCc1ccc(NC(=S)NCC(C)(C)CCC#N)cc1 806598348 ROSFYOVWSQOTCN-UHFFFAOYSA-N 289.448 3.865 30 20 CHED C=C(C)CCc1noc(-c2ccc3nc(C)c(C)nc3c2)n1 569390336 JFUDMIGIFGEJNG-UHFFFAOYSA-N 294.358 3.805 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccc(Cl)cc1)C1CC1 472752385 PENZINGXIZWLHT-MRXNPFEDSA-N 279.811 3.632 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)c1ccsc1 800790338 JBUQHHHJHAEKJU-CYANDVJASA-N 261.346 3.642 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2ccccc2C)CC1 474203843 KZECVNIYDKHOBH-CQSZACIVSA-N 257.377 3.919 30 20 CHED C[C@@H]1CC(=NNc2cc(C#N)cc(Cl)n2)c2ccccc21 807979746 JPFWJMUPJLUFDY-SNVBAGLBSA-N 296.761 3.930 30 20 CHED C(=NNCC1CCCC1)c1cnc(-c2cccs2)s1 808007165 SMOZLHSJRMUIRJ-UHFFFAOYSA-N 291.445 3.985 30 20 CHED C=CCCCCCCNCc1cc(C(F)(F)F)n[nH]1 808419795 YMZFTORDOVZLKB-UHFFFAOYSA-N 275.318 3.655 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cc(C#N)n(C)c1 561983162 SIZIIEFUSFPZAU-HIFRSBDPSA-N 273.424 3.543 30 20 CHED CCCNN=C(C)c1nc(-c2ccccc2)cs1 814804706 BOXDGEWAPMWVNK-UHFFFAOYSA-N 259.378 3.534 30 20 CHED C=CCCOCC(=O)Nc1ccc(-c2ccncc2)c(C)c1 646614097 AVDUAQBTFQYQCV-UHFFFAOYSA-N 296.370 3.588 30 20 CHED C[C@@H]1SCCC1=NNc1ccc(C#N)cc1C(F)(F)F 814923222 CCAGIMXTGMUNDO-QMMMGPOBSA-N 299.321 3.870 30 20 CHED C[C@H](c1nc2ccccc2s1)[C@@H](C)NCC1(C#N)CC1 565517617 HDIOGLGEXYQMNC-NWDGAFQWSA-N 285.416 3.682 30 20 CHED Cc1ccc(C)c(NC(=S)NN=C2CC3(CC3)C2)c1 814707281 MLFXUHJEJLEGHO-UHFFFAOYSA-N 273.405 3.520 30 20 CHED CC[C@@H](CC#N)OC(=O)c1nc2ccccc2cc1Cl 810710463 MNVICYPDMYUVDB-NSHDSACASA-N 288.734 3.737 30 20 CHED CO[C@](C)(C=NNc1nc2ccccc2cc1C)C1CC1 814896315 SLMUGAHMJZZMJC-QGZVFWFLSA-N 283.375 3.756 30 20 CHED N#C[C@@H]1CCCC(=NNc2c(F)cccc2Cl)C1 814905534 YFAQBPJXEBBGTE-SECBINFHSA-N 265.719 3.961 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCC23CCCC3)nc1 814805801 IUAWYYDZGVWRPQ-UHFFFAOYSA-N 274.324 3.502 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1sc(C(C)C)nc1C 811659851 ZXCFPVXWFJIRCA-LBPRGKRZSA-N 297.493 3.642 30 20 CHED Cc1ccc(C(C)C)cc1OC(=O)c1ncc(C#N)cc1C 815901873 HZYVHJSQDHFZJQ-UHFFFAOYSA-N 294.354 3.913 30 20 CHED C=CCCOCCNc1nccc2ccc(C)cc12 571636826 QQGUTNPZTNYTDA-UHFFFAOYSA-N 256.349 3.548 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(CC)cc1 485564984 AOPCYNDWQPPTGW-OAHLLOKOSA-N 258.365 3.821 30 20 CHED Fc1cccc(NN=C2CC(c3ccccc3)C2)n1 814927802 HHTFCXNAHOGVNP-UHFFFAOYSA-N 255.296 3.566 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(C)nc1C 814687728 SPDQCYNRGSWSJK-UHFFFAOYSA-N 253.349 3.843 30 20 CHED Brc1ccccc1NN=Cc1cccs1 812461116 HIBCBZYPPZHIKQ-UHFFFAOYSA-N 281.178 3.957 30 20 CHED N#C[C@@H](NC(=O)c1cccc(C2CC2)c1)C1CCCCC1 571936584 AQWKZGOEBLMJAF-QGZVFWFLSA-N 282.387 3.766 30 20 CHED C=CCC1(CNC(=O)N(C)[C@H](C)C2CC2)CCCC1 573066770 PZCAWFMGQJYODA-CYBMUJFWSA-N 264.413 3.563 30 20 CHED O=[N+]([O-])c1ccccc1-c1ccc(C=NOC2CCC2)o1 812236981 DATOEVHIKZIZJA-UHFFFAOYSA-N 286.287 3.758 30 20 CHED Cc1csc([C@H](C#N)C(=O)CCc2ccc(C)s2)n1 810520078 RDNDREKVLZAPEK-GFCCVEGCSA-N 290.413 3.631 30 20 CHED CC[C@@H](C=NN1CCc2ccccc2C1=O)c1ccccc1 814892700 KLIGTTLSTWTOMQ-HNNXBMFYSA-N 292.382 3.865 30 20 CHED C#CCN(CC)C(=O)c1ccc(-c2ccc(F)cc2)cc1F 729948352 JVJMVCGUNAUMLL-UHFFFAOYSA-N 299.320 3.727 30 20 CHED C#Cc1ccccc1CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 811872544 WTIVFSFQUPOADG-AWEZNQCLSA-N 295.357 3.569 30 20 CHED C=C(C)CNc1ncnc2oc(-c3ccccc3)cc12 487496526 DITAJUARBBYJOV-UHFFFAOYSA-N 265.316 3.878 30 20 CHED N#Cc1ccc(CN2C[C@H]3CCC[C@H]3C2)c(C(F)(F)F)c1 577924387 UFQVZOULODAFTG-BETUJISGSA-N 294.320 3.809 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)cc1C 728230202 BJIDCCASKPHGDO-DAXSKMNVSA-N 282.339 3.914 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1ncc(C2CC2)o1 572391175 FYKOTWLMNHURQE-UHFFFAOYSA-N 288.734 3.965 30 20 CHED Cc1cc(C)c(C(=O)CSc2ccc(C#N)cn2)c(C)c1 498167243 SKGDDGAIBDZQMY-UHFFFAOYSA-N 296.395 3.854 30 20 CHED C[C@H]1CC[C@H](C(=O)N(CCC#N)c2ccc(F)cc2)CC1 576284102 LCWSWCBFXYNPBG-HDJSIYSDSA-N 288.366 3.899 30 20 CHED C/C=C/C=C\C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 491637227 IEMAJBRYCFLBAS-FNRFYRGXSA-N 295.169 3.807 30 20 CHED N#CC1(CNCc2cnc(C3CCCCC3)s2)CC1 572315761 DRLZWGOEWWQHEN-UHFFFAOYSA-N 275.421 3.584 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN2CCC(CCC#N)CC2)o1 575989639 UTSVQLNOPLBBAQ-CJNGLKHVSA-N 272.392 3.919 30 20 CHED C#Cc1cccc(NC(=S)NCc2ccc(C)cc2C)c1 726468370 RWHYAEXWRVGJOD-UHFFFAOYSA-N 294.423 3.771 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 576885492 QDASSHASIUVJTG-KBXCAEBGSA-N 277.371 3.536 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(O)cc1)C2=O 729152035 ZOCGPAWULORWAM-LCYFTJDESA-N 250.297 3.523 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(OCC)c2)C1 665793825 SCSNCHFKTKOFCX-CQSZACIVSA-N 288.391 3.905 30 20 CHED CCN(C(=O)C#Cc1cccs1)[C@H]1CCCC[C@H]1C 825636939 LPOHVWBSKAAJPP-HIFRSBDPSA-N 275.417 3.527 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)nc1 728804829 BLOCTOFRGFTCEG-SFHVURJKSA-N 292.382 3.580 30 20 CHED C#CCO[C@H](C)C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 827458308 WXDNMDPNAYASTM-QAPCUYQASA-N 299.414 3.512 30 20 CHED C=CCCNC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 661566018 WRAIKZCJQPQPEX-OAHLLOKOSA-N 276.355 3.557 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccsc2C#N)C1 906226800 KZEKUQXPVDFXPP-MEDUHNTESA-N 288.416 3.661 30 20 CHED C/C=C(/CC)C(=O)N(C)c1cc(Cl)ccc1C#N 588572936 TVLWRYQGQWULHI-WMZJFQQLSA-N 262.740 3.531 30 20 CHED CSc1ccc2c(c1)[C@H](NCC1(C#N)CC1)CCC2 903105957 JKZZFAXJLGQIDL-OAHLLOKOSA-N 272.417 3.679 30 20 CHED CCc1ccc(C=C2C(=O)c3ccccc3C2=O)s1 731155576 LMAIBIIVKAXNMR-UHFFFAOYSA-N 268.337 3.773 30 20 CHED CC[C@@H](NCCOC1CCCC1)c1cccc(C#N)c1 902776939 OIQOZWZWIYCWAI-QGZVFWFLSA-N 272.392 3.558 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)C#CC(C)(C)C)C1CC1 837373652 XEGBJFJBUCCESE-AWEZNQCLSA-N 269.388 3.788 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cc2c(s1)CCCC2 903106589 RUBSOOGRJGDPNJ-NSHDSACASA-N 260.406 3.581 30 20 CHED C=CC[C@@H]1N(Cc2cc(C(=O)O)oc2C)CCCC1(C)C 902545831 MOJPWLMWHSQDEC-HNNXBMFYSA-N 291.391 3.853 30 20 CHED CC1(C)CC(=O)c2cc(OCC3(CC#N)CC3)ccc2O1 664025468 DRFFGIMQNVRROA-UHFFFAOYSA-N 285.343 3.503 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Cl)c2ncccc12 674975741 NXODKIQXWGFMAJ-VIFPVBQESA-N 275.739 3.584 30 20 CHED CCC(=NNC(=S)Nc1ccccc1OC)C1CCC1 834918960 BBUSCWZSUABZRA-UHFFFAOYSA-N 291.420 3.548 30 20 CHED CC(=NNc1nccnc1Cl)c1ccc(Cl)cc1 733079255 BPLLSHFADPYWMY-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CC[C@H](C)CC2)c1 730955606 BMVBJPJUJDXXNA-MQMHXKEQSA-N 272.417 3.533 30 20 CHED C=CCC1(CNC(=O)/C=C\c2cncc(C)c2)CCCC1 836990590 JTHIMJBEGULHJL-SREVYHEPSA-N 284.403 3.656 30 20 CHED C=C(C)C[C@H](N[C@@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)O 901680362 WUMBGCWWGOLXDA-KFWWJZLASA-N 281.440 3.990 30 20 CHED C=CC[C@@H](NC(=O)CC1=CCCCC1)c1ccncc1 734461268 UOWWHLMZVWTERW-MRXNPFEDSA-N 270.376 3.706 30 20 CHED CSc1cccc(NC(=O)c2cccc(CC#N)c2)c1 42192745 HTXDWOUTJZJBDZ-UHFFFAOYSA-N 282.368 3.727 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(C(=O)O)cc1 736097349 JEMIDHDBTQWTEL-UHFFFAOYSA-N 290.363 3.595 30 20 CHED COc1ccc2[nH]cc(CC/N=C/c3ccccc3O)c2c1 733080953 HOBLXVMLMOYHMN-YBFXNURJSA-N 294.354 3.544 30 20 CHED CCC(C)(C)OCC(=O)[C@H](C#N)c1nc(C(C)C)cs1 838812274 WJJLEOXFWVDZRX-NSHDSACASA-N 294.420 3.648 30 20 CHED Clc1cccc(C#CCN2CCC3(CC2)CC3)c1 677718345 ZURQIAZARVHGAQ-UHFFFAOYSA-N 259.780 3.568 30 20 CHED CC1(C)CCC(=CC(=O)NCC(C)(C)CC#N)CC1 837888599 WRLLANBZQFLIDY-UHFFFAOYSA-N 262.397 3.569 30 20 CHED Cc1cc(C(=O)O[C@H](C)C#N)c(C)n1[C@H](C)c1ccccc1 914664169 UDUBWAWSGYYQCJ-ZIAGYGMSSA-N 296.370 3.783 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC)c(SC)c1 837768064 NXNGPCTXECJQFN-UHFFFAOYSA-N 277.389 3.549 30 20 CHED C=CCN(C(=O)CCSCCCC)C(C)(C)C 598866908 ZIAKHFZUJOCVLB-UHFFFAOYSA-N 257.443 3.723 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H]1CCCC[C@H]1SC(C)C 835284071 AIBURKAAJQKAMO-LXTVHRRPSA-N 298.448 3.574 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C 836887977 HXFAKJXBVNGNGO-RDJZCZTQSA-N 263.425 3.709 30 20 CHED CC[C@H](NCc1ccccc1C(C)(C)C#N)C1CC1 595766366 UELIGUZDJAYPFD-INIZCTEOSA-N 256.393 3.766 30 20 CHED COc1ccc(C=NNc2ccccc2)cc1OC(F)F 916247238 KNTXUNDEKKYUMP-UHFFFAOYSA-N 292.285 3.743 30 20 CHED C=CCCSCCNC(=O)N(CCC(C)C)C1CC1 596720325 SHTSQESKEINJBB-UHFFFAOYSA-N 284.469 3.516 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 674934312 XBNAMEQRHPORJC-NVXWUHKLSA-N 286.419 3.534 30 20 CHED CC(=NNC(=S)Nc1cccnc1)[C@H](C)c1ccccc1 746370654 NFBYRDWPOOWYRY-LBPRGKRZSA-N 298.415 3.548 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccc(CC(=O)O)cc2)C1 848415298 YYJNUISOAAXPMP-OCCSQVGLSA-N 274.364 3.538 30 20 CHED C=C(C)CONC(=O)Nc1cccc(CSCC)c1 844544719 UJORRGRFBBWESN-UHFFFAOYSA-N 280.393 3.569 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)Cc1cccc(C#N)c1 590771153 LCYCHJQFAGKWQT-SFHVURJKSA-N 284.403 3.528 30 20 CHED Cc1ccc(C(=O)OCCCCC#N)c2ccccc12 840624955 KJWKEAUWSPWDCY-UHFFFAOYSA-N 267.328 3.999 30 20 CHED N#CC1(COC(=O)c2cccc(C3CC3)c2)CCCC1 847675902 DSCVQAWQEKWMKO-UHFFFAOYSA-N 269.344 3.805 30 20 CHED Fc1ccc(/C=C\C=NNc2cnc3ccccc3n2)cc1 747751204 IYOYUEUCHSNHIC-DCVLPIESSA-N 292.317 3.880 30 20 CHED C=C[C@@H](C)ONC(=O)c1cc2ccc(C(C)C)cc2[nH]1 846543418 JRGYPBPJRCJIQV-LLVKDONJSA-N 272.348 3.527 30 20 CHED C=CCCSCCNC(=O)N(C)[C@H](C)c1ccccc1 595722771 ILOOARUFQSFSPE-CQSZACIVSA-N 292.448 3.698 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(SC)c(Cl)c1 593505999 XJGYDVRORRWGFK-QMMMGPOBSA-N 268.769 3.550 30 20 CHED N#CCN(CCc1nsc2ccccc12)C1CCCC1 595328348 HVIXENPUNBQDAJ-UHFFFAOYSA-N 285.416 3.607 30 20 CHED Cc1cccc2cc(OCC3(CC#N)CC3)cnc12 596300783 FKFKIWMMTZMCKT-UHFFFAOYSA-N 252.317 3.616 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@H](C)[C@@H]1C)c1ccncc1 745826149 QVHHTCKHGBWTQW-DZKIICNBSA-N 287.407 3.529 30 20 CHED CCON=C(C)c1ccc(SC(F)F)c(OC)c1 746489385 UZSXOLRALUXMSD-UHFFFAOYSA-N 275.320 3.770 30 20 CHED COc1ccc(COc2ccc(C#N)cc2F)cc1C 590597061 LVXOZTFBOHZJTN-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CCCCCCCOC(=O)c1ccc2cnccc2n1 840596551 OXLIEMRMIZDGRM-UHFFFAOYSA-N 272.348 3.757 30 20 CHED CCOc1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 748686389 XCJFFIWNBSWZHN-CYBMUJFWSA-N 295.338 3.875 30 20 CHED C=CCNC(=S)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 916024297 NKILCXINAJEEGA-AWEZNQCLSA-N 294.439 3.953 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@H]2c2cccc(C)c2)n1 596085581 YDOQWULAAYBWDG-INIZCTEOSA-N 292.386 3.561 30 20 CHED Cn1cccc1[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 596688129 HUYNJCRXACHGQG-INIZCTEOSA-N 299.418 3.553 30 20 CHED C[C@H](CO)N(C)N=C(CC(C)(C)C)c1ccc(Cl)cc1 842539858 FLJURVNBCGDGLR-GFCCVEGCSA-N 296.842 3.793 30 20 CHED CCc1nc(C)c(C(=O)OCCC2(C#N)CCCCC2)o1 840575694 AAYMLTHFKASXAR-UHFFFAOYSA-N 290.363 3.566 30 20 CHED C=CCNC(=S)N(CC1CC1)c1ccc(CC)cc1 840804369 MAORXVBEDGCIOA-UHFFFAOYSA-N 274.433 3.526 30 20 CHED CC1(C)CCC(C(=O)OCC(=O)c2ccc(C#N)cc2)CC1 748315284 TZSVINATXZZPNE-UHFFFAOYSA-N 299.370 3.501 30 20 CHED CCC[C@@H](OC)c1noc(CC2(C#N)CCCCC2)n1 596600953 DLSGQEMTCRMGIC-GFCCVEGCSA-N 277.368 3.574 30 20 CHED N#CCN(C(=O)C1CC2(CCC2)C1)c1ccc(Cl)cc1 592653776 VTVRHZPCQYGNFH-UHFFFAOYSA-N 288.778 3.777 30 20 CHED N#CC[C@H]1CCCN(C(=S)Nc2ccccc2Cl)C1 849271497 LJGBEJKMSROQLB-LLVKDONJSA-N 293.823 3.662 30 20 CHED CCN(CC#N)Cc1oc2ccccc2c1Br 594603031 RBJAUYAZVCGASX-UHFFFAOYSA-N 293.164 3.541 30 20 CHED C=CCOc1ccc(OC(=O)C2(c3ccccc3)CC2)cc1 742862123 QGONKTGBTQOTER-UHFFFAOYSA-N 294.350 3.889 30 20 CHED Cc1ncsc1/C=C\C(=O)c1nc2ccccc2s1 742432678 ZYRIIHBVUFLPEU-SREVYHEPSA-N 286.381 3.957 30 20 CHED CC1(C)CCC/C(=C/c2cc3cnccc3o2)C1=O 844548263 NWLYUXPKAYVVCB-FLIBITNWSA-N 255.317 3.990 30 20 CHED C=CCN(C)C(=O)Nc1ccc(COC(C)(C)C)cc1 681773338 RRAWCTRZJFQFCQ-UHFFFAOYSA-N 276.380 3.651 30 20 CHED Cc1cc(F)ccc1NN=Cc1nc(-c2ccccc2)no1 750938236 FCGGTDQSGNYFJR-UHFFFAOYSA-N 296.305 3.630 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCCCc1ccccc1 683819920 MGKHCLMZUPDOLQ-KRWDZBQOSA-N 286.419 3.759 30 20 CHED C#CCCCN[C@@H](c1cccnc1)c1cc(C)cc(C)c1 925162664 WERGHROXBMZPGU-IBGZPJMESA-N 278.399 3.791 30 20 CHED Cc1cccc(C(=O)OCc2cccc(C#N)c2)c1Cl 754977129 HJKYYRJOHMYTBF-UHFFFAOYSA-N 285.730 3.877 30 20 CHED CC(=O)Nc1ccccc1C=NNc1ccc(F)cc1C 755814077 JEBNYJPBINDZHX-UHFFFAOYSA-N 285.322 3.539 30 20 CHED CCc1nc(C=NNc2cc(C)ccc2F)cs1 755773628 YHXLTXZKXBZWCO-UHFFFAOYSA-N 263.341 3.599 30 20 CHED C[C@H](Cc1cccc(Cl)c1)C(=O)OCCCCC#N 756349683 KZRKFBIGIZUKFL-GFCCVEGCSA-N 279.767 3.756 30 20 CHED C=C(C)CCNC(=O)OCc1ccc(Br)cc1 859175706 JNNXQAHETDCTND-UHFFFAOYSA-N 298.180 3.642 30 20 CHED CCc1ccc([C@H](C)CC(=O)N2CCC[C@@H](C#N)C2)cc1 928220803 JXCLKUGIYCFSRI-ZBFHGGJFSA-N 284.403 3.505 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cccc(C#N)c1)C2=O 921264340 RMCJIEZNFQVPRC-SXGWCWSVSA-N 259.308 3.689 30 20 CHED C=CCC[C@@H](OC(=O)c1ccc2c(c1)CCOC2)C1CC1 850903516 FYYPBTAHSXMJNM-QGZVFWFLSA-N 286.371 3.661 30 20 CHED CCCCCCCCNC(=O)NCc1cccnc1C 858319470 ABNXUEIFCBXPDR-UHFFFAOYSA-N 277.412 3.550 30 20 CHED COc1ccc([C@H](C)C(C)=NOCC2CCC2)cc1OC 853440756 HPESXDGYGXKTKE-GFCCVEGCSA-N 291.391 4.000 30 20 CHED C=C[C@@H](OC(=O)c1cnn(C(C)C)c1C)c1ccccc1 851452364 RMOXMDYJTIIWAE-MRXNPFEDSA-N 284.359 3.857 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)CN(C2CC2)[C@@H](C)C#N)cc1 852480043 MHGPHVAXNULJSO-KGLIPLIRSA-N 299.418 3.515 30 20 CHED C=CCN(CC=C)Cc1coc(-c2cccc(F)c2)n1 45914448 IGQPMALGONXBDQ-UHFFFAOYSA-N 272.323 3.655 30 20 CHED CC(CC(C)(C)C#N)=NN[C@H]1CCc2c(F)cccc21 853356474 UUVUGVPJKBQLQI-HNNXBMFYSA-N 273.355 3.718 30 20 CHED CCn1nccc1C=NNc1ccnc2cc(Cl)ccc12 753691731 AIDNKHKELLQIKF-UHFFFAOYSA-N 299.765 3.551 30 20 CHED COc1cc(F)cc(NN=Cc2cccc3[nH]ccc23)c1 755767786 GEMZJBYWSNBMAF-UHFFFAOYSA-N 283.306 3.762 30 20 CHED CCCCCCCNC(=O)N1CCC[C@]2(CCSC2)C1 858114042 UGAJGDXJGRKUOR-INIZCTEOSA-N 298.496 3.886 30 20 CHED CO[C@@H](C)C(C)=NNC(=S)Nc1ccc(C(C)C)cc1 763125274 JPMYEPVEKRMQHN-LBPRGKRZSA-N 293.436 3.507 30 20 CHED CC[C@](C)(C#N)NC(=O)/C=C\c1ccccc1C(F)(F)F 865078910 XHDHYBDJVNOODN-QIAWRQBBSA-N 296.292 3.527 30 20 CHED FC(F)(F)CON=Cc1csc(C(F)(F)F)c1 863102980 FISOOXBRGCFCSE-UHFFFAOYSA-N 277.189 3.680 30 20 CHED C=CC[C@H](N[C@@H]1CCc2cc(OC)ccc21)c1ccncc1 866268488 WTIUPERUHYTWSY-RBUKOAKNSA-N 294.398 3.985 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1c1nccn1CC 935782906 ARGPTMWNPOSGLU-HUUCEWRRSA-N 289.423 3.559 30 20 CHED Cc1coc2ccc(NC(=O)N3CCC[C@H](C#N)C3)cc12 930938191 GTTBZQLZODSYFZ-GFCCVEGCSA-N 283.331 3.509 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)C[C@H](C)c1ccccc1 931713113 KMPNSIDRJZRXPD-HNNXBMFYSA-N 292.382 3.742 30 20 CHED CC(C)O[C@H]1CC(=NNc2ccc(F)cc2)C1(C)C 764887241 XRDNCUVACAKIOJ-AWEZNQCLSA-N 264.344 3.817 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1OCC 936036266 DYRRATXNNPVXFP-NSHDSACASA-N 292.335 3.534 30 20 CHED CCCc1cnc(NC(=O)c2cc(C#N)ccc2C)s1 935259636 PDCXRXMZZKIGKG-UHFFFAOYSA-N 285.372 3.528 30 20 CHED C=CCCC(=O)COC(=O)C[C@@H](C)c1ccc(CC)cc1 761399505 DCEUIDVSQBGOQH-CQSZACIVSA-N 288.387 3.821 30 20 CHED N#Cc1ccc(OC(=O)CCC2CCCCC2)c(F)c1 769738626 WNDARELADNFLKR-UHFFFAOYSA-N 275.323 3.963 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc3c(c2)ncn3C)c1 761199855 HFWZHVMELUWJEX-CLFYSBASSA-N 276.339 3.778 30 20 CHED O=C1/C(=C/c2cncs2)[C@@H]2CCCc3cccc1c32 763291540 ZAMXKZCTYBTUTH-FUEWVNAISA-N 267.353 3.843 30 20 CHED C=C[C@@H](CC(=O)OCC(C)(F)F)c1ccccc1 861225021 SPRKIMKOLNLBEI-NSHDSACASA-N 254.276 3.545 30 20 CHED CCO[C@H]1CCCC1=NNc1ccc(C#N)c(Cl)c1 766455212 QUMFDOYXODYUQF-AWEZNQCLSA-N 277.755 3.569 30 20 CHED N#CCc1cccc(C(=O)Oc2ccc(Cl)c(F)c2)c1 761918033 ISWUUWRRLNRUFJ-UHFFFAOYSA-N 289.693 3.764 30 20 CHED CC#CCCCC(=O)O[C@@H](C)C(=O)c1ccc(CC)cc1 767674469 GHIDBBNMEWKSSN-AWEZNQCLSA-N 286.371 3.557 30 20 CHED Cc1cc(OC(=O)c2ccc(Cl)s2)ccc1C#N 765114292 WPJYRERCRRUQCB-UHFFFAOYSA-N 277.732 3.801 30 20 CHED CCCCN(C(=O)c1ccc(C)c(C#N)c1)c1ccncc1 876292908 YBTVSWCTTPWHOQ-UHFFFAOYSA-N 293.370 3.709 30 20 CHED Cc1cccc([C@H](C)C(=O)OCc2cccc(C#N)c2F)c1 774963328 WLPIGNRFKZIMGV-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED CC(=O)[C@](C#N)(CCN1C[C@H](C)CC1(C)C)c1ccccc1 878158505 IFTSUDAFYNCRMY-DNVCBOLYSA-N 298.430 3.547 30 20 CHED C#CCCCCCc1nc(-c2cccc(F)c2)no1 779740733 AISGQYGZHZGLSY-UHFFFAOYSA-N 258.296 3.612 30 20 CHED C=C(CC)CON=C(C)c1ccc(NC(=O)C2CC2)cc1 773179791 AHIKZYNIFZLNSQ-UHFFFAOYSA-N 286.375 3.742 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H](C)CCCCC 779329378 XKWOOGPKAGCTOX-HNNXBMFYSA-N 292.423 3.989 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1c[nH]c2ccccc12 777044524 UTHJJFSYDUUZPU-UHFFFAOYSA-N 290.322 3.705 30 20 CHED N#Cc1cccc(OCCSCC(F)(F)C(F)F)c1 773430965 RBZGUNMQRAHOEW-UHFFFAOYSA-N 293.285 3.571 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)[C@@H](O)c1cccc(F)c1 773038911 KODAXMRVGNSCDL-VBNZEHGJSA-N 265.372 3.582 30 20 CHED CCCCCCCCCc1nc(Cc2cnccn2)no1 771647729 OFUOEELPYNRMJC-UHFFFAOYSA-N 288.395 3.744 30 20 CHED COc1ccc2nc(NN=C(C)c3ccc[nH]3)c(C)cc2c1 777911706 MRBMWCMJPBZSHR-UHFFFAOYSA-N 294.358 3.716 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)OCc1ccc(C#N)s1 1118336324 JCLLDUOLMLYROD-UHFFFAOYSA-N 298.367 3.558 30 20 CHED C[C@H](OC(=O)[C@H]1CCCC1(C)C)c1cccc(C#N)c1 774044513 KZPOLJQDQUXACU-SWLSCSKDSA-N 271.360 3.989 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1)c1cscn1 776191704 JOIFGJDJEMUUGD-HSFFGMMNSA-N 259.305 3.735 30 20 CHED N#Cc1ccc(SCc2ccc3c(c2)COC3)cc1 777924283 UYOFSJDPFHTOEP-UHFFFAOYSA-N 267.353 3.881 30 20 CHED CC(C)CNN=Cc1ccc(Br)cc1Cl 771566257 GGCRWDNHGXTHKW-UHFFFAOYSA-N 289.604 3.682 30 20 CHED O=C(O)c1cccc(/C=C2\CCc3ccc(F)cc3C2=O)c1 774133252 BUHDIMPDDKFBJL-MDWZMJQESA-N 296.297 3.736 30 20 CHED CC1(C)C[C@H](NC(=O)c2ccsc2C#N)c2ccccc21 1127005207 SHGUYMONRNBLOU-AWEZNQCLSA-N 296.395 3.772 30 20 CHED N#Cc1ccc(Sc2snc(Cl)c2C#N)c(F)c1 771224984 RBMPIVXBRSOSLT-UHFFFAOYSA-N 295.751 3.830 30 20 CHED CC1(C)CCC/C(=C\c2ccc([N+](=O)[O-])cc2F)C1=O 777918951 NZWKNOORKPGJHC-DHZHZOJOSA-N 277.295 3.897 30 20 CHED C#CCC1(C(=O)Nc2cnn(C3CCC3)c2)CCCCC1 889057382 XLEUWDIBQYQAKS-UHFFFAOYSA-N 285.391 3.520 30 20 CHED CC1(C)Cc2cc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)ccc2O1 1129731183 QZNYTXAQFSHMOB-IUODEOHRSA-N 299.370 3.639 30 20 CHED CCCCOCC(=O)O[C@@H](c1cccs1)[C@H](C#N)CC 1123009325 KCLZSYOFPFRIFW-SWLSCSKDSA-N 295.404 3.699 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccc(C#N)cc1OC 1126747796 ZZELFGKMAPEKEJ-AWEZNQCLSA-N 288.391 3.656 30 20 CHED COc1ccc(NN=C(C)c2cc(C)c(OC)cc2C)nc1 780274534 FAJRNWSIVWMEGW-UHFFFAOYSA-N 299.374 3.552 30 20 CHED C#CCCCCCC(=O)OCc1ccccc1OCC 780257857 GHVKJUCBFIJHPR-UHFFFAOYSA-N 274.360 3.712 30 20 CHED C#CCC1(C(=O)NCc2ccc(F)cc2F)CCCCC1 788178742 QFABVHFEZPPAIO-UHFFFAOYSA-N 291.341 3.555 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2ccccc2)CCCCC1 788140923 JBQROHQSMPZAFB-HNNXBMFYSA-N 269.388 3.838 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(C)cnc1Cl 1121245225 KBPYBBGISGNGAY-LBPRGKRZSA-N 278.783 3.614 30 20 CHED CC(C)CN(CCC#N)C[C@H]1CCc2ccccc21 780290225 RQSDVKMPLXNBRR-MRXNPFEDSA-N 256.393 3.588 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(Cl)cc1C#N 785769021 NYQNENJKOARVEY-OAHLLOKOSA-N 277.751 3.857 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1cc(Cl)ccn1 783863113 PCEJXZBRWKAGHX-WDEREUQCSA-N 251.761 3.959 30 20 CHED Cc1cc(C)cc(-c2ccc(C=NN[C@H]3CCOC3)cc2)c1 788446530 MQZQHYQQKHYFFN-IBGZPJMESA-N 294.398 3.683 30 20 CHED N#CCc1ccc(C(=O)OCCSc2ccccc2)cc1 784403749 KBCDFDWWBYPXLM-UHFFFAOYSA-N 297.379 3.702 30 20 CHED C=CCCCCCOC(=O)[C@H]1OCCc2ccccc21 784318728 AYRVZTPCJWMENY-INIZCTEOSA-N 274.360 3.590 30 20 CHED C=CCCN(Cc1ccccc1)C[C@H](O)c1cccs1 88604263 HUMSCJJFVJXSDP-INIZCTEOSA-N 287.428 3.860 30 20 CHED C#CCCCCCC(=O)NCCc1cc2ccccc2o1 780540900 QUVUHFIHEJIQPB-UHFFFAOYSA-N 283.371 3.675 30 20 CHED N#Cc1ccc(NN=C[C@@H]2CCSC2)cc1C(F)(F)F 782221408 PLOBTFGXIGVEHX-VIFPVBQESA-N 299.321 3.728 30 20 CHED CC(=O)c1ccc(N2CCC(C#N)CC2)cc1C(F)(F)F 892137497 AQDVJUAKUVULFQ-UHFFFAOYSA-N 296.292 3.648 30 20 CHED CC(C)(CCC#N)CNc1nccn2nc(C(C)(C)C)cc12 893867077 MMNFUKWANTXEJP-UHFFFAOYSA-N 299.422 3.769 30 20 CHED C#CCCCCCC(=O)O[C@H](C)c1cccc(C#N)c1 780347567 OOCUKZPWYOZNTD-CQSZACIVSA-N 269.344 3.746 30 20 CHED C[C@@H]1CC[C@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)C1 780225592 LXNPUEMCEHOGFE-KOLCDFICSA-N 293.823 3.687 30 20 CHED C=C(C)CN=c1[nH]c(-c2ccc(Cl)s2)cs1 390262799 OMEIQUGRERMJSA-UHFFFAOYSA-N 270.810 3.935 30 20 CHED C=C1CCC(C(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 898792086 YELXXNUASAAOOH-IAGOWNOFSA-N 291.435 3.541 30 20 CHED COCCCCCOc1cc(C)c(C#N)c(C)c1C 506420876 HCBFNNIYOAXRDH-UHFFFAOYSA-N 261.365 3.679 30 20 CHED C[C@@H]1CC(=NN[C@H]2CCCOC2)C[C@@H](c2ccccc2)C1 780260214 JHLYJRYTUHZMGF-XIRDDKMYSA-N 286.419 3.715 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1ccc(C(F)F)nc1 899385501 GPDDJDYDCAUYIW-ALCCZGGFSA-N 292.285 3.774 30 20 CHED CCN(CC(C)(C)C)C(=O)c1ccccc1SCC#N 794911839 NXHLPLBTTVRAFK-UHFFFAOYSA-N 290.432 3.810 30 20 CHED CC[C@H](Nc1ccc(C#N)cn1)c1cc(F)ccc1OC 895879383 KXJIWOLNZOIEMC-AWEZNQCLSA-N 285.322 3.664 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc2occc2c1 794855668 YMJNYWPXBXSFSU-UHFFFAOYSA-N 281.271 3.787 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(C)C 799047924 PKXIQDPLOOOJDM-BBRMVZONSA-N 291.822 3.683 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2ccc(C)s2)c1 1206305753 NNZBFAGKBNOMAO-UHFFFAOYSA-N 285.372 3.558 30 20 CHED CC(=NNc1ncccn1)c1cccc(CC(C)C)c1 794891821 VSMBSEIWECKLRZ-UHFFFAOYSA-N 268.364 3.511 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C#N)C1 702313869 QQTHLHYECMNDSS-WDEREUQCSA-N 276.767 3.976 30 20 CHED CC(CSC(C)(C)C)=NNCc1ccccc1N(C)C 794958023 UORUONXDUUIHHZ-UHFFFAOYSA-N 293.480 3.750 30 20 CHED C[C@@H]1CSCC1=NNc1nc(-c2ccccc2)cs1 794888493 QVVVHQCDBIKYRA-SNVBAGLBSA-N 289.429 3.961 30 20 CHED C[C@@H]1c2ccc(Cl)n2CCN1Cc1ccc(CC#N)cc1 794443964 LAGRMRNZXHXTRX-CYBMUJFWSA-N 299.805 3.784 30 20 CHED N#Cc1ccc(N[C@@H]2CC23CCC3)cc1Br 721234284 KMWWFEYBQVVJCJ-GFCCVEGCSA-N 277.165 3.675 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCN2CCC[C@H]2C1 793521293 JXRQXXDCZGWVMU-ULQDDVLXSA-N 264.457 3.728 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1ccnn1-c1ccccc1 798373052 VNALGWVVKITFNO-KTKRTIGZSA-N 292.313 3.908 30 20 CHED CCc1cccc(C)c1NN=C1CCn2cccc21 799494333 HZCFCVXSOFAXEM-UHFFFAOYSA-N 253.349 3.579 30 20 CHED Cc1ccc(C(=O)Nc2ccc3ccn(C)c3c2)cc1C#N 799319604 LZLONUBOAWQUAW-UHFFFAOYSA-N 289.338 3.611 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2)cn1 799607452 ZWQYDCZFAWJGFT-INIZCTEOSA-N 296.326 3.579 30 20 CHED COc1cc(/C=C/C(=O)c2sccc2OC)ccc1C#N 799497539 UFIKHXCNAMUNJE-GQCTYLIASA-N 299.351 3.533 30 20 CHED CC(C)(CN1CCC[C@@H](CC#N)C1)c1ccccc1 597178209 WLLVHAIXDZUZQI-HNNXBMFYSA-N 256.393 3.590 30 20 CHED C#C[C@H](N[C@H](C)[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCCO1 793086286 UUSWRFZBAJKNDF-UTJXIGIESA-N 291.822 3.602 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(OC)nc1 793524307 LHPXYXNLPBLLGS-CQSZACIVSA-N 262.397 3.705 30 20 CHED CC1(CNN=Cc2ccccc2Cl)CCCC1 793084281 JJKUQQWSIXLCFK-UHFFFAOYSA-N 250.773 3.844 30 20 CHED N#Cc1cc(F)c(N2CCC3(CCCC3)CC2)c(F)c1 84219909 XNOYONAPVIZRFK-UHFFFAOYSA-N 276.330 3.997 30 20 CHED C[C@H]1[C@@H](N[C@H](C)CC(C)(C)C#N)CCN1Cc1ccccc1 695866438 YVIIATOPFHYAIZ-RYRKJORJSA-N 299.462 3.567 30 20 CHED Cc1ccc2c(c1)N([C@@H](C)c1ccc(C#N)cc1)CC2 1307537329 BXNCXAUCUFZTRB-AWEZNQCLSA-N 262.356 3.990 30 20 CHED CC[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)O 97824350 DKRLEOPQTONGEF-SNVBAGLBSA-N 289.278 3.532 30 20 CHED C[C@@H]1Cc2cc(Nc3nc(C#N)c(Cl)s3)ccc2O1 1164265770 YUQYJXIVMRTJDZ-SSDOTTSWSA-N 291.763 3.735 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1nnc(CC2CCCC2)o1 1328378338 OSQGIZBZOYCUEJ-LBPRGKRZSA-N 297.358 3.814 30 20 CHED C=C(CNC(=O)N1CC(C)(C)C1(C)C)c1ccccc1 1323446823 YVSUZENJKNIHCV-UHFFFAOYSA-N 272.392 3.530 30 20 CHED CC(C)c1ocnc1CSc1ccc(C#N)cc1 1324778727 FVZFOCLUHIXQDE-UHFFFAOYSA-N 258.346 3.962 30 20 CHED C=CCNC(=S)N[C@H](c1cccc(F)c1)C(C)(C)C 1323562217 SNXDBSHSHZGRGL-CYBMUJFWSA-N 280.412 3.563 30 20 CHED CC[C@](C)(C#N)c1nnc(C(C)(C)c2ccccc2)o1 1329326946 YWRNTDWVIMDVLR-MRXNPFEDSA-N 269.348 3.587 30 20 CHED CC1(NC(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 1328737254 PFTZKKAGEFWXIC-UHFFFAOYSA-N 296.395 3.822 30 20 CHED C=C(C)CCc1noc(C(C)(C)Oc2ccccc2)n1 1327321511 IYEPTELBKUEXNB-UHFFFAOYSA-N 272.348 3.892 30 20 CHED CCc1oc2ccccc2c1C(=O)N(C1CC1)[C@@H](C)C#N 1328478823 VJEWMJXKVUKWDC-NSHDSACASA-N 282.343 3.512 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ncc(Cl)s1 1324957751 UAOATNOQQNTGIQ-UHFFFAOYSA-N 298.820 3.686 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 1335806099 ICYRZUOOTZQDBC-OAHLLOKOSA-N 275.367 3.573 30 20 CHED Cc1cccc2oc(C(=O)Nc3sccc3C#N)cc12 1264108140 WEDXWKSTKQSRNY-UHFFFAOYSA-N 282.324 3.927 30 20 CHED CC(C)c1cnc(SCc2ccc(C#N)s2)[nH]1 1351661817 HHSGHLYTPSFEHF-UHFFFAOYSA-N 263.391 3.759 30 20 CHED Cc1cc(C)c(CC(=O)[C@H](C#N)c2cccc(F)n2)c(C)c1 1357639177 HFKLHHHIXJHRKN-OAHLLOKOSA-N 296.345 3.565 30 20 CHED CCC(C)(C)C1CCC(CC(=O)N=C2C[C@H](C)ON2)CC1 1447234806 URGCMXAJGMKGJF-HSBZDZAISA-N 294.439 3.858 30 20 CHED C=C(CC)C(=O)N1CCC(Nc2ccccc2Cl)CC1 1527647679 YBUSLABPZUGBNT-UHFFFAOYSA-N 292.810 3.709 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C(C)(F)F)n1CC=C 1520355436 JRWLBFCTZCZNAA-GFCCVEGCSA-N 296.365 3.511 30 20 CHED CC(C)(CNc1nc(C#N)c(Cl)s1)C1CCC1 1458380286 SXUMCINPEMXZCZ-UHFFFAOYSA-N 269.801 3.906 30 20 CHED Cc1cc(C#N)cc(NC(=O)COc2c(C)cccc2C)c1 1460865326 ZIUFHDBHXRIHSX-UHFFFAOYSA-N 294.354 3.501 30 20 CHED N#Cc1csc(C(=O)Nc2cscc2Cl)c1 1537294708 GAYVUEYFIZUILO-UHFFFAOYSA-N 268.750 3.587 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(CC)[C@H](C#N)CC)cc1 1538757918 VXGXIOURNGPQEJ-PBHICJAKSA-N 286.419 3.893 30 20 CHED C=C(CC(C)C)C(=O)N1CCSC[C@@H]1c1ccc(C)o1 1548661696 FUMOTIPZWKWVKJ-CQSZACIVSA-N 293.432 3.807 30 20 CHED Cc1ccc(CSc2ccnc(C#N)c2)cc1C 1559138786 ZPVGDBRFUCDHHP-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CC(C)(C)c1nc(CNc2cccc(C#N)c2)cs1 122478229 LCPJWTWNJWRDMN-UHFFFAOYSA-N 271.389 3.924 30 20 CHED C=CC[C@H](Sc1cc(C)ccc1Cl)C(=O)O 1588758417 FWESNRYYSVBXJA-JTQLQIEISA-N 256.754 3.770 30 20 CHED C[C@H]1CCC[C@H](c2noc(-c3ccc(C#N)s3)n2)C1 230997554 DFLXLFBFEVGJAS-UWVGGRQHSA-N 273.361 3.963 30 20 CHED Cc1oc(/C=C\C(=O)c2ccc(Cl)cc2)cc1C(=O)O 1776114879 FFESYNIMZKPAMR-SREVYHEPSA-N 290.702 3.836 30 20 CHED CCCC(=NNc1ccc(C(=O)O)cc1)c1cc(C)ccn1 1776012195 IEUFKSFDWBMICH-UHFFFAOYSA-N 297.358 3.705 30 20 CHED O=C(O)c1cccc(NN=Cc2cccc3c2CCCC3)c1 1776038421 JVZPUAIGQPPMET-UHFFFAOYSA-N 294.354 3.710 30 20 CHED C=CCc1ccccc1CN[C@H](CCCC(C)C)C(=O)O 1776188250 CCQGJIAXEBEOEJ-QGZVFWFLSA-N 289.419 3.784 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@@H](C)c2cccc(C)c2)C1 1776154230 ZBQRMYZGJXEXJG-YJBOKZPZSA-N 287.403 3.799 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@H](CCC)c2ccccc2)C1 1776157955 DAPGWWVFNDQCLV-AEFFLSMTSA-N 287.403 3.881 30 20 CHED C[C@H]1Cc2ccccc2C(=O)/C1=C/c1cc(C(=O)O)cs1 1776665880 HVTSQFSYHCHTCP-CYANDVJASA-N 298.363 3.905 30 20 CHED Cc1ccc(NN=Cc2ccc(C(=O)O)cc2)c(Cl)c1 1776060978 YYECZEGZDFIBSX-UHFFFAOYSA-N 288.734 3.793 30 20 CHED N#Cc1ccc(OCc2cc(Cl)c3c(c2)OCO3)cc1 12488661 LQPFXXRXUCBYHR-UHFFFAOYSA-N 287.702 3.519 30 20 CHED C=CCCCCCN(C)[C@@H](C)c1nc(C(C)C)no1 150874173 FLYXBFAPIXHKHR-ZDUSSCGKSA-N 265.401 3.932 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 161104711 GNBGRNNITVNHAI-OLZOCXBDSA-N 283.293 3.501 30 20 CHED C=CC[C@@H](C)NCc1ccc(F)c(C(F)(F)F)c1 160151224 OYTYJOFJYQTLKR-SECBINFHSA-N 261.262 3.899 30 20 CHED C=CCC[C@@H](NC(=O)NCc1ccncc1)c1ccccc1 160461547 FHFKAFDYDSSTQK-QGZVFWFLSA-N 295.386 3.588 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C 163245065 GMHMNSGQNOHSPO-GFCCVEGCSA-N 291.351 3.770 30 20 CHED N#Cc1ccccc1NC(=O)c1cc2cccc(F)c2o1 151788600 MUCPLSHGONBUNO-UHFFFAOYSA-N 280.258 3.696 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)cc1 152689245 HFCLDSGNJOVTFR-VMPITWQZSA-N 298.338 3.783 30 20 CHED CSCCCCC(=O)N[C@H](CCC#N)c1ccccc1 153346982 PKTRQOGVSOKYIT-OAHLLOKOSA-N 290.432 3.681 30 20 CHED COc1ccccc1/C(C)=C/C(=O)O[C@@H](C#N)C(C)(C)C 154275721 PEUYJFCSVFONCX-PABFRNLHSA-N 287.359 3.580 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@@H]1c1ccccc1 125070816 QMLLNAATKQFWFM-ZIAGYGMSSA-N 280.209 3.821 30 20 CHED C=CCN(Cc1csc(-c2ccco2)n1)C(C)C 917069086 HCJCGKLHSFDFAR-UHFFFAOYSA-N 262.378 3.800 30 20 CHED N#Cc1cc(NC(=O)CC2CCSCC2)ccc1Cl 128315633 KYVUITCRZBEAEW-UHFFFAOYSA-N 294.807 3.683 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCSc1ccc(Cl)cc1 264114259 WEFHLGXGKKNAKU-NSHDSACASA-N 296.823 3.583 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cscn1 279273017 JKHDCSOCGJUVIU-UHFFFAOYSA-N 258.390 3.721 30 20 CHED Cc1nnc(NCCCC2CCCCC2)c(C#N)c1C 48462377 ZWZWAUZSGSJVFX-UHFFFAOYSA-N 272.396 3.738 30 20 CHED C[C@@H](CCC(C)(C)C)NCc1ccc(C#N)s1 176972647 FZRHNCKSTPSROW-NSHDSACASA-N 250.411 3.924 30 20 CHED C=CCN(CC=C)Cc1nc(-c2ccc(Cl)cc2)no1 52869483 JDKGVXICSXQWAL-UHFFFAOYSA-N 289.766 3.564 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 53006074 CZGIPAXMWHSUDB-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@H](Nc1nnc(C(C)(C)C)s1)c1ccc(C#N)cc1 301709549 CZBMAQMZJKLFEQ-JTQLQIEISA-N 286.404 3.880 30 20 CHED C#CCCCNc1cc(Br)c(C)cc1OC 309626706 FZRHMVVQFDWDJJ-UHFFFAOYSA-N 282.181 3.591 30 20 CHED N#Cc1ccnc(N[C@@H](C2CCC2)C2CC2)c1Cl 324781471 IEOLPDQYTVTRGV-ZDUSSCGKSA-N 261.756 3.597 30 20 CHED FC(F)C(F)(F)CNCc1csc(C(F)(F)F)c1 623531583 FXZXQMIYEKOTOW-UHFFFAOYSA-N 295.223 3.757 30 20 CHED N#Cc1ccc(N2CCC(CF)CC2)cc1C(F)(F)F 450683270 GGUNUQYGZQCEAB-UHFFFAOYSA-N 286.272 3.763 30 20 CHED C=C[C@H]1CCCCN1C[C@H]1CCC2(CCCCC2)O1 489451633 UNWLEZMECNWIIO-JKSUJKDBSA-N 263.425 3.909 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 710321062 ZSEIJPCEYWXAEZ-HUUCEWRRSA-N 263.425 3.901 30 20 CHED CCN(Cc1ccccc1C#N)[C@H](C)c1cccc(O)c1 174614441 WSKXRKMCPVZZEX-CQSZACIVSA-N 280.371 3.847 30 20 CHED CC[C@@H](C#N)NC(=O)CCCc1ccc(Cl)c(Cl)c1 102353132 IBSROQFFJOVYAF-NSHDSACASA-N 299.201 3.734 30 20 CHED CCCCCCCCC(=O)NCc1scnc1C 104470111 GUOMVBUTXDXOHC-UHFFFAOYSA-N 268.426 3.818 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cncc(-c3ccccc3)c2)C1 179971190 QLKZPZBJNJPBOD-SUMWQHHRSA-N 292.338 3.598 30 20 CHED C=CCCCS[C@@H](C)C(=O)Nc1ccc(OC)cc1 117944708 XGCACLNOMMVYBO-LBPRGKRZSA-N 279.405 3.722 30 20 CHED C[C@@H](NC(=O)NC1(C)CCCCC1)c1ccc(C#N)cc1 116490899 KNWAAASQXWUJGS-CYBMUJFWSA-N 285.391 3.641 30 20 CHED CCS[C@@H]1CCCCN(c2ccc(C#N)cc2)C1 112081435 CWHBGHKFUOPGCR-OAHLLOKOSA-N 260.406 3.670 30 20 CHED CCCCCC(C)(C)C(=O)NCc1ccc(C#N)cc1 177112819 RDXSNRFHZNYZFR-UHFFFAOYSA-N 272.392 3.781 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 111901366 KZYYWIUZSYBAMR-IAGOWNOFSA-N 286.419 3.930 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)C1CC1 178483047 SMZVXLAPTSOQAW-NWDGAFQWSA-N 288.416 3.923 30 20 CHED C=C(CC)C(=O)NCc1ccc(C(F)(F)F)cc1C 1347265998 QENCWTFNLJHKBX-UHFFFAOYSA-N 271.282 3.596 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 119877645 RJCJBFNPBRZRGE-GDBMZVCRSA-N 287.378 3.724 30 20 CHED CN(CCOc1ccccc1)c1ccc(Cl)cc1C#N 303217751 UBNFZCVVUHHKQM-UHFFFAOYSA-N 286.762 3.727 30 20 CHED C=CCCC(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 173869842 DLEJLURTKDKUNC-UHFFFAOYSA-N 297.358 3.827 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccn(C(C)C)n1 172012464 OYKDYUAHPQAOFM-UHFFFAOYSA-N 299.418 3.661 30 20 CHED Cc1ccccc1C1(CNCc2ccc(C#N)s2)CC1 176960822 AZFSRDRYIABSDG-UHFFFAOYSA-N 282.412 3.750 30 20 CHED N#Cc1cccc(NC(=O)CCc2cc3ccccc3o2)c1 25384799 CGCGXCXINFXQAQ-UHFFFAOYSA-N 290.322 3.876 30 20 CHED Cc1nc(N[C@@H]2CCC(C)(C)C2)c(Cl)cc1C#N 311135097 RVLNMINBRIBANB-LLVKDONJSA-N 263.772 3.906 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@@H](c1ccccc1)C(C)C 116858739 NWRQJNOVAQUREU-GDBMZVCRSA-N 259.393 3.897 30 20 CHED Cc1csc(CCCCNCC(C)(C)CCC#N)n1 174338494 QCKDDIVUVFVHQO-UHFFFAOYSA-N 279.453 3.694 30 20 CHED N#Cc1cccc(Cl)c1NCC1(CCO)CCCCC1 301561825 KMEDPYXWJSOBPZ-UHFFFAOYSA-N 292.810 3.956 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc(CC#N)c1 68709794 BPGQVEOKOGWFHZ-NVXWUHKLSA-N 284.403 3.841 30 20 CHED COc1cccc(C2CCN(Cc3ccc(C#N)o3)CC2)c1 179800605 OTHFDONSVKEAMW-UHFFFAOYSA-N 296.370 3.539 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cccnc2C)c1 170991633 YJKTTZGZWPNUGY-UHFFFAOYSA-N 282.343 3.597 30 20 CHED N#Cc1cccc(C#N)c1N1CCC[C@@H]1c1ccsc1 302845055 NQBPYZLASVNQBW-OAHLLOKOSA-N 279.368 3.833 30 20 CHED CC#CCOc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 172917387 YDYSYDJMLLCYHY-UHFFFAOYSA-N 293.366 3.674 30 20 CHED C[C@H]1C[C@@H](C)CCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 409729330 JRXNSRHWGKUCRX-QWRGUYRKSA-N 297.324 3.844 30 20 CHED C[C@H](CO)SCc1ccc(-c2ccccc2C#N)cc1 172978677 YRDVVNZWQBRWOI-CYBMUJFWSA-N 283.396 3.839 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccccc1-c1ncc(C)[nH]1 1346452873 YQRCZOLUGXAYCP-UHFFFAOYSA-N 283.375 3.926 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cc2ccccc2s1 122303941 WUQMGRZVKYELGX-OAHLLOKOSA-N 272.373 3.569 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cc2c(ccc3ccccc32)[nH]1 63747255 PDEGMUYSNJKZJX-GFCCVEGCSA-N 291.354 3.553 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cccc(O)c1 37319152 MTOILJYMBBNJSB-AWEZNQCLSA-N 283.371 3.808 30 20 CHED C=CCOc1cccc(CN(C)Cc2ccccc2O)c1 120045053 BWCMBLOEQVMMHQ-UHFFFAOYSA-N 283.371 3.589 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1ccc(Cl)c(C#N)n1 301183140 RLJRELGMVOKCMN-JTQLQIEISA-N 289.741 3.789 30 20 CHED Cc1ccc(Cl)cc1C(=O)N1CCCC(C)(C)[C@H]1C#N 434018361 ZJCNCANRPNOQDN-CQSZACIVSA-N 290.794 3.803 30 20 CHED CCN(CCC#N)Cc1cc(C)cc(C(C)(C)C)c1O 125322830 FVCCRWSXGSEGHH-UHFFFAOYSA-N 274.408 3.734 30 20 CHED CCOc1cc(C)ccc1N[C@H]1CCC[C@@H](C#N)C1 185739662 VQCZNJBZGMIBLP-KGLIPLIRSA-N 258.365 3.888 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 122142314 AZTHMDOUNSHYBF-JKSUJKDBSA-N 281.440 3.811 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1ccccc1F 187844672 SVGBYGPVIPBCSC-KRWDZBQOSA-N 277.383 3.822 30 20 CHED CCN(C(=O)C[C@H]1C=CCCC1)c1ccc(C#N)cc1 188295810 YATRGQHOOYUYQU-AWEZNQCLSA-N 268.360 3.658 30 20 CHED CCCCC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 128765799 NRKMDWITAGUYGI-HNNXBMFYSA-N 294.354 3.677 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 123499514 VBALKXOCGFNOMO-HZPDHXFCSA-N 291.439 3.653 30 20 CHED CCCCC[C@@H]1CCCN1c1ncc(C#N)cc1F 413191839 HSBWIGAFCLKBFF-CYBMUJFWSA-N 261.344 3.641 30 20 CHED C=C[C@@H](C)Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 129287262 KXLUTSYQNDAJRY-SECBINFHSA-N 294.280 3.544 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 500637293 UZDRTNOSDYILQD-LBPRGKRZSA-N 293.357 3.883 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc(-c3cnco3)c2)C1 185718152 OGLZBVFIHBOOTP-OCCSQVGLSA-N 267.332 3.836 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3ccccc3F)C2)cc1 501275940 UGORXOIKYFVBBS-CQSZACIVSA-N 266.319 3.691 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCSc2ccc(F)cc2)C1 185767269 UAONMXUVUXMLFX-HIFRSBDPSA-N 292.423 3.980 30 20 CHED C=CCC[C@H](C(=O)N(CC)CC1CC1)c1ccccc1 187926069 PFYBYMVIYBVGJQ-KRWDZBQOSA-N 271.404 3.995 30 20 CHED N#Cc1ccc(CCC(=O)OCC2CCCCC2)cc1 217052730 RBDNYPOOMSBANV-UHFFFAOYSA-N 271.360 3.614 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 132740779 NAEBQWCYTMBPFQ-LSDHHAIUSA-N 297.304 3.688 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1cccc(C)c1C 185583469 GNHQZFMEFPGPJS-OAHLLOKOSA-N 257.377 3.674 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2cc(F)ccc2C1 181388669 VTRVIVSDBLCHPR-ZDUSSCGKSA-N 290.382 3.638 30 20 CHED N#Cc1csc(CNc2ccc(N3CCCCC3)cn2)c1 131636468 NQTCHWTXUSMOCK-UHFFFAOYSA-N 298.415 3.617 30 20 CHED N#CCc1ccc(CSCCC2CCOCC2)cc1 419478992 NVMVVKRWKPNKJG-UHFFFAOYSA-N 275.417 3.803 30 20 CHED CCCCCCCC(=O)N(C)Cc1ccc(O)c(OC)c1 135353197 NUZUYHMYZLQKNG-UHFFFAOYSA-N 293.407 3.720 30 20 CHED CCOC(=O)CC[C@H](C)Sc1ccc(C#N)cc1F 505513930 PEYOFEGSEHVZGR-JTQLQIEISA-N 281.352 3.521 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2cccc(F)c2)cc1 49900983 MYNDQTQOOQXNSA-KRWDZBQOSA-N 296.345 3.725 30 20 CHED COc1ccccc1OCCSCC1(C#N)CCC1 419388324 KHNQFICALHUCSM-UHFFFAOYSA-N 277.389 3.501 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(OC)cc1 42241093 LSXFIPPEMZCEQM-CYBMUJFWSA-N 293.432 3.600 30 20 CHED CC1(C/N=C(/O)c2csc(O)n2)CCCCCC1 329978440 HOYKUIRLDFVLOE-UHFFFAOYSA-N 268.382 3.514 30 20 CHED COc1cccc(/C=N/[C@H]2CCCOc3ccccc32)c1O 130379525 ICDRJNKQKKNLKR-UZUMKDMXSA-N 297.354 3.734 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(C(=O)CCCC#N)C1 425112415 CZOBAPDLMLGNEL-HNNXBMFYSA-N 270.376 3.680 30 20 CHED CSc1ccc(CN(CCC#N)Cc2ccco2)cc1 176838628 JVBKXALQSPIEQV-UHFFFAOYSA-N 286.400 3.917 30 20 CHED N#CCC1(CNc2cccc(Br)c2)CC1 83853625 CTIZRGGRPMBSSZ-UHFFFAOYSA-N 265.154 3.555 30 20 CHED C=CCN(CC=C)C(=O)NCC[C@@H]1CCCC[C@@H]1C 512846900 RRYOGEMRUSDCSE-GJZGRUSLSA-N 264.413 3.586 30 20 CHED Cc1ccccc1CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425127357 IXPFHKFDNJBQFU-OAHLLOKOSA-N 292.382 3.629 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1CC(c2ccccc2)C1 513398280 ZUADBRQRDRWABC-HWOWSKLDSA-N 272.392 3.587 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](CC2CC2)C1)c1ccccc1 516334466 GHQYMGNAECMYNM-IAGOWNOFSA-N 283.415 3.995 30 20 CHED C=CCN(CC=C)C(=O)CCc1c[nH]c2c(C)cccc12 133358425 KYSVMKXOUVQDNL-UHFFFAOYSA-N 282.387 3.610 30 20 CHED Cc1cc(CN(CCC#N)CC(C)C)c2ccccc2n1 84439304 GUWFPQHOHNCVNW-UHFFFAOYSA-N 281.403 3.915 30 20 CHED CCS[C@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 421369470 VTRAEIUJSUOFEF-CABCVRRESA-N 292.423 3.851 30 20 CHED COc1cccc2c1CC/C(=C\c1ccc(C#N)cc1)C2=O 194593433 VHVVIIODTXGAIY-RVDMUPIBSA-N 289.334 3.779 30 20 CHED CCOCc1ccc(N/C(O)=N/C2CCCCC2)cc1 331244021 LFCACKTZIRBZHY-UHFFFAOYSA-N 276.380 3.882 30 20 CHED Cc1cc(N2CCC(OC3CCCCC3)CC2)c(C#N)cn1 425217681 BUNWPIHGUCGKFT-UHFFFAOYSA-N 299.418 3.580 30 20 CHED CC[C@H](/N=C(/O)Nc1c(C)cccc1C)C1CCOCC1 331005386 XJHHOYXKTBWVGZ-HNNXBMFYSA-N 290.407 3.835 30 20 CHED N#Cc1ccc(CCC(=O)N2CC[C@@H](C3CCCC3)C2)cc1 421649246 DAOBENXWDRBGIE-GOSISDBHSA-N 296.414 3.530 30 20 CHED CCCC[C@@H](CC)C(=O)NCC#Cc1cccc(F)c1 513197065 MSOSYXOEJWSUAD-OAHLLOKOSA-N 275.367 3.510 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(CN(C)C)c(Cl)c1 424811048 LMWCUCSIJNJGJG-UHFFFAOYSA-N 294.826 3.942 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OC(F)F)c(F)c1 426541367 BFARCBUDUPCUDX-GFCCVEGCSA-N 285.309 3.968 30 20 CHED C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccccc1C#N 339151244 BKGMCENGFVVCFJ-ODXCJYRJSA-N 287.359 3.707 30 20 CHED O=C(/C=C/c1cc(Cl)cs1)c1cc(O)cc(O)c1 195339519 KGHWILTUERQKDQ-OWOJBTEDSA-N 280.732 3.709 30 20 CHED CC[C@@H](/N=C(/O)c1c(C)coc1C)c1c(C)noc1C 330482009 QPFFMXYJVWWDRK-GFCCVEGCSA-N 276.336 3.957 30 20 CHED N#Cc1ccc(C(=O)N2CCC=C(c3ccccc3)C2)s1 334309088 IILJUBLAQSUHDZ-UHFFFAOYSA-N 294.379 3.549 30 20 CHED CO[C@@H]1CC[C@H](/N=C(/O)Nc2cc(C)c(Cl)c(C)c2)C1 331274456 PMNNKFQBDIENBC-WCQYABFASA-N 296.798 3.850 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(F)c(OC)cc1F 336093846 JXRBTCTXHZUANB-JTQLQIEISA-N 296.317 3.546 30 20 CHED CCn1cc(/C=C\C(=O)c2cc3ccccc3o2)cn1 96456687 AJWYGVAYJXMYHN-FPLPWBNLSA-N 266.300 3.545 30 20 CHED Cc1ccc(F)c(CN(C)c2ccc(C#N)cc2[N+](=O)[O-])c1 436422545 NBRCMYQXJQAICR-UHFFFAOYSA-N 299.305 3.550 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CS1 94471535 MWDDUGIUJMBWHT-WPRPVWTQSA-N 286.322 3.883 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CC[C@H](c3ccc(F)cc3)C2)C1 436404814 ABURQQCBDPFDEW-QCPWZWHMSA-N 272.367 3.744 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1c(F)cncc1F 334153344 OCJZAUPFVSPXKG-QMMMGPOBSA-N 277.249 3.544 30 20 CHED C=CCC[C@@H](C)N[C@H]1CCCOc2ccc(F)cc21 349449244 JPZHDRNJKDPRTD-DOMZBBRYSA-N 263.356 3.984 30 20 CHED CSc1ccc(/C=C\c2ccncc2C#N)cc1 347427742 JQWYZIHKJILXHZ-DJWKRKHSSA-N 252.342 3.846 30 20 CHED Cc1ccccc1[C@H]([C@H](C)NC[C@@H](C)CCC#N)N(C)C 602627244 PFCHOQGRFYGJDB-ZVZYQTTQSA-N 287.451 3.516 30 20 CHED C=CCCN1CCC(CCc2ccc(O)cc2)CC1 525328415 VJXUBFLIGNOSJA-UHFFFAOYSA-N 259.393 3.613 30 20 CHED Cc1nc(S[C@H](C#N)CCc2ccccc2)oc1C 601074751 CUZRTDRLLNDPHW-AWEZNQCLSA-N 272.373 3.909 30 20 CHED C=CCCCSCC(=O)Nc1ccc(OCC)cc1 344509969 IGQKKITYOFJZHP-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C=CCCOCCCCC(=O)N1[C@@H](CC)CC[C@H]1C 343049822 INBCCPRCLZBGPL-CABCVRRESA-N 267.413 3.539 30 20 CHED CCOc1ccccc1CNc1ccc(COC)c(C#N)c1 527763541 MJRNCNAKOZSANN-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C[C@@H]1CCN(Cc2ccccc2C#N)[C@@H]2CCCC[C@@H]12 603847440 UZTPQHRANPIHBM-FHLIZLRMSA-N 268.404 3.959 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 609579377 DTEUEOHJJXXEDG-GHMZBOCLSA-N 290.432 3.975 30 20 CHED Cc1cc(C)c(/C=C/CNCCCCC#N)c(C)c1 601106192 VFHWWYOFOMXDEW-BQYQJAHWSA-N 256.393 3.909 30 20 CHED CCOC(=O)c1ccc(/C=C2/CCc3ccccc3C2=O)o1 255776282 UMEUKWGLYMKOBA-QBFSEMIESA-N 296.322 3.669 30 20 CHED C=CC[C@H](C)NC(=O)c1ccncc1Oc1ccccc1 442719817 XDPBHFRGRZGTSI-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED CCCC[C@@H](CCC)CNC(=O)C1(C#N)CCCC1 440813851 NKVBEVZDLNFBIE-CQSZACIVSA-N 264.413 3.793 30 20 CHED CCCCOc1ccc(OC)cc1N[C@H]1CC[C@@H](C#N)C1 442877093 QWMNLJDXYAEJLV-KGLIPLIRSA-N 288.391 3.978 30 20 CHED C[C@@H](C#N)CN(C(=O)Nc1ccsc1Cl)C1CC1 446564708 LLMNMLIDOQONEU-QMMMGPOBSA-N 283.784 3.557 30 20 CHED CC[C@@H]1c2ccsc2CCN1Cc1cccc(C#N)n1 602445267 NOCAEPGKNJMXDG-OAHLLOKOSA-N 283.400 3.524 30 20 CHED C=CC[C@H]1N(Cc2ccc(C)nc2)CCCC1(C)C 446830151 PABYKPGKHCTDJP-MRXNPFEDSA-N 258.409 3.957 30 20 CHED C=CCCCSCC(=O)Nc1cc(C)cc(C)c1 609804954 DAAYVSQNNCFVBA-UHFFFAOYSA-N 263.406 3.941 30 20 CHED C=CCCN(C)CCCc1cc(-c2ccc(F)cc2)no1 606897306 LDQHACCSRDLELQ-UHFFFAOYSA-N 288.366 3.921 30 20 CHED Oc1nc2ccccc2cc1C=Nc1ccc(F)c(F)c1 255691989 APZCOEDNTNIRQK-UHFFFAOYSA-N 284.265 3.969 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC(F)(F)C[C@H]1C 530011472 AJVYNAPNMKQZTH-GFCCVEGCSA-N 295.329 3.511 30 20 CHED COc1cccc(C=C2CCN(CCCCC#N)CC2)c1 268452808 JFQABCSDSGRBMY-UHFFFAOYSA-N 284.403 3.868 30 20 CHED CC(C)CC1(C(=O)NCC(C)(C)CCC#N)CCC1 359764999 MNLNSOHEAZCTAJ-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C[C@@H](Nc1cccc2c1OCC2)c1ccc(C#N)cc1 600853214 YWGNUECUUJBHJQ-GFCCVEGCSA-N 264.328 3.666 30 20 CHED N#Cc1ccc(NCCCc2cccs2)c(F)c1 538765061 TUQKNZVXQJXHGA-UHFFFAOYSA-N 260.337 3.804 30 20 CHED C=CC[C@H]1N(C(=O)CCc2cncs2)CCCC1(C)C 351111752 SYYYGKHTFQXHRG-CQSZACIVSA-N 292.448 3.669 30 20 CHED CC[C@@H](N[C@H](C)C(F)(F)F)c1ccc(C#N)cc1 352608682 OHHVFFOGNAEAOT-BXKDBHETSA-N 256.271 3.550 30 20 CHED C=CCC1(C(=O)NC2CC(C)(C)NC(C)(C)C2)CCCC1 449187938 JWYXLDGRQPJDMP-UHFFFAOYSA-N 292.467 3.548 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCc1ccc2ccccc2c1 264138480 ZWXYHHARXCZMNK-CQSZACIVSA-N 280.371 3.533 30 20 CHED CCN(C(=O)[C@H](C)c1ccco1)[C@H](C)c1ccc(C#N)cc1 610171378 PMPXHGDOQDWFSJ-ZIAGYGMSSA-N 296.370 3.864 30 20 CHED C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)c(C#N)c1 612449598 UBWIJSPUFQIXQQ-QWRGUYRKSA-N 276.767 3.615 30 20 CHED CC[C@H](F)CNc1cccc(OCCCC#N)c1 442104496 UUDYHLFFVFJZGN-LBPRGKRZSA-N 250.317 3.529 30 20 CHED C=CCCCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 359047120 MXFQKANJHBXYBW-UHFFFAOYSA-N 295.386 3.535 30 20 CHED COCC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 611389376 VAKSTKFVRFDFBW-DNVCBOLYSA-N 294.398 3.987 30 20 CHED C=C(Cl)CNC(=O)CCCCCc1cccs1 265592075 YIMXOPMBVVFKLX-UHFFFAOYSA-N 271.813 3.720 30 20 CHED C=CCC[C@@H](C(=O)N(C)CC1=CCCOC1)c1ccccc1 618384102 NDNHVKHPMQOMOD-GOSISDBHSA-N 299.414 3.542 30 20 CHED C[C@@H](NCCCSCC#N)c1cc2cccc(F)c2o1 355770258 KLWCXKPIJVNCDE-LLVKDONJSA-N 292.379 3.869 30 20 CHED CCCCC1CCC(NC(=O)C2(C#N)CC(C)C2)CC1 532321486 IFZUBKULFKHAFL-UHFFFAOYSA-N 276.424 3.791 30 20 CHED COc1cc(/C=C/c2nc3ccccc3o2)ccc1C#N 442319485 ZMHVLMOKDKHEPR-VQHVLOKHSA-N 276.295 3.878 30 20 CHED C=CCC(CC=C)C(=O)NCCc1nc2c(C)cccc2o1 268223414 RWETYWJIHUNYBT-UHFFFAOYSA-N 298.386 3.563 30 20 CHED Cc1cc(N2CC(C)(C)C2)n2c(nc3ccccc32)c1C#N 618983968 KNBLAMDDNIIIII-UHFFFAOYSA-N 290.370 3.514 30 20 CHED C[C@H](N[C@H]1CCC(F)(F)C1)c1ccc(C#N)c(F)c1 611475755 GKIOQHUHLYJTMK-CABZTGNLSA-N 268.282 3.536 30 20 CHED CC(C)C[C@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C1 353699674 SJOPBKXVBPXGDN-CYBMUJFWSA-N 290.794 3.720 30 20 CHED C=C(CC)CSc1nc2ccccc2c2nc(C)nn12 538014000 MUXSOOWNZAXXAL-UHFFFAOYSA-N 284.388 3.644 30 20 CHED C=CCN(C(=O)N[C@@H](C)Cc1ccc(C)cc1C)C1CC1 537912099 SVUWMUGUPHMLLJ-HNNXBMFYSA-N 286.419 3.594 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)c2cccc3ccccc23)C1 531808984 FVGGPCXBGSVFOA-SHYRYGCCSA-N 292.382 3.957 30 20 CHED Cc1ccccc1[C@@H]1CCCN1c1cccc(C#N)n1 267240855 RQNGQJOYDQJOHB-INIZCTEOSA-N 263.344 3.603 30 20 CHED CC1(C)CC[C@@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 360128986 BDEXRMFDWUVWAU-SFHVURJKSA-N 296.414 3.605 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cc3c(s2)CCCC3)C1 618566889 QHGFXPBZTULONI-OCCSQVGLSA-N 274.433 3.799 30 20 CHED Cc1c(C(=O)NCC(C)(C)CC#N)oc2c(C)cccc12 457988513 MCWVUWBTFOSIMW-UHFFFAOYSA-N 284.359 3.719 30 20 CHED C=C[C@H](CC(=O)N1CCCC[C@H]1C(=O)CC)c1ccccc1 274870191 YZIMALFIRJREAS-WBVHZDCISA-N 299.414 3.707 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OCC)c(Cl)c1 454518478 XOQORDVBVUDICA-UHFFFAOYSA-N 282.771 3.826 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccccc1C(C)(F)F 455796245 UYQZOALYASXWJA-UHFFFAOYSA-N 293.317 3.732 30 20 CHED C=CCCCC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 365832205 BUQCQPURYVLIQJ-UHFFFAOYSA-N 282.387 3.717 30 20 CHED C=CCC1(C(=O)N2CCCC[C@H](COC)C2)CCCCC1 450683061 PXDRPKBDYBEIKV-INIZCTEOSA-N 293.451 3.788 30 20 CHED CC[C@@H](C(=O)N[C@@](C)(C#N)CC)C1CCC(C)CC1 545182999 ZPQJYFVMJIWLIH-UWTIDYAISA-N 264.413 3.647 30 20 CHED C=CC[C@@H]1N(C(=O)NCC(C)(C)CC#N)CCCC1(C)C 459246563 VZSJJGFYBFCOKG-AWEZNQCLSA-N 291.439 3.703 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2c[nH]c3cc(F)ccc23)C1 274173361 CFCBFDRIPNIMBS-SWLSCSKDSA-N 285.366 3.521 30 20 CHED C=CCN(Cc1cccc(OC)c1)Cc1cccs1 620643780 KBPXWALGBAXVNS-UHFFFAOYSA-N 273.401 3.945 30 20 CHED C[C@@H](CCc1ccccc1F)NCC(C)(C)CC#N 459734707 SONVACVIRAHYGA-ZDUSSCGKSA-N 262.372 3.676 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1 455268216 FRJXCIZNIIJRKD-IRXDYDNUSA-N 299.418 3.526 30 20 CHED CCCCCCCC(=O)O[C@H](COC)c1nccs1 278479073 OPFTZSOUXIFSIB-GFCCVEGCSA-N 285.409 3.734 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(F)c(F)cc1F 620858067 VCUFZGSQGDVFKA-UHFFFAOYSA-N 271.282 3.579 30 20 CHED N#CCC[C@@H](NC(=O)N1CCC[C@H]1C1CC1)c1ccccc1 372180512 NKRYRFBJQMQKQD-SJORKVTESA-N 297.402 3.615 30 20 CHED C[C@H](CC#N)N[C@H](C)c1ccc(C(F)(F)F)cc1 276237883 ORSLVXDXEUBSGI-NXEZZACHSA-N 256.271 3.658 30 20 CHED C=CCCN(C)C(=O)C[C@H](c1ccccc1)C(C)C 466648273 SCZFRENJNKYCSE-INIZCTEOSA-N 259.393 3.851 30 20 CHED C#CCN(C(=O)N[C@H](C)c1cc2ccccc2s1)C1CC1 274132760 PPGWYLDCDYPHPQ-GFCCVEGCSA-N 298.411 3.770 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2c3c(cccc13)CC2 465151932 BEZFTXKBZHMRRR-LLVKDONJSA-N 266.344 3.634 30 20 CHED C=CCN(CCCC1CCOCC1)CCc1ccccc1 469903009 XTHXUHHCOODFOP-UHFFFAOYSA-N 287.447 3.924 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC[C@@H](C)c1ccccc1 466387658 GEQQELARDPQTQY-NVXWUHKLSA-N 286.419 3.930 30 20 CHED Cc1nc(-c2cccc(NC(=O)CC(C)(C)C#N)c2)[nH]c1C 376590469 WCGUEZAUYMWWDC-UHFFFAOYSA-N 296.374 3.572 30 20 CHED N#CCCCN1CCCC[C@@H]1c1ccc(F)cc1F 370757210 NBQBHNYPBZYPSV-OAHLLOKOSA-N 264.319 3.796 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)[C@H](C)c1cccc(C#N)c1 462116615 JBEWSAKLHPQIMR-ZIAGYGMSSA-N 286.419 3.993 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)[C@@H]1CCOC(C)(C)C1 460658322 PGZFTPGRMJJFHZ-HUUCEWRRSA-N 296.455 3.720 30 20 CHED CCc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 461733620 PTQNEDIJDBJPRC-ZDUSSCGKSA-N 278.355 3.863 30 20 CHED CCC[C@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 464838195 NGLULAMHYNYJAW-QGZVFWFLSA-N 256.393 3.960 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2ccc(F)cc2C#N)C1(C)C 463471431 XHUNAEHJWAGQFZ-GJZGRUSLSA-N 276.355 3.701 30 20 CHED CC1=CCCN(Cc2ccccc2C(C)(C)C#N)C1 280918114 TUHWAPYBZAZQBY-UHFFFAOYSA-N 254.377 3.640 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)NCC#Cc1ccccc1 465585830 UWMMJCKKYARVPV-WMZOPIPTSA-N 298.430 3.648 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(F)cc2F)no1 556345339 QDSLYHUJRDGFCC-AWEZNQCLSA-N 264.275 3.869 30 20 CHED CCc1ccccc1CC(=O)Nc1ccc(C#N)cc1Cl 467963079 KFNCXZDEUTYLLQ-UHFFFAOYSA-N 298.773 3.955 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](c1ccccc1)C1CCC1 280734712 WHLCFUOXUYREHU-KRWDZBQOSA-N 294.354 3.731 30 20 CHED C#CCC1(c2nc([C@@H]3CCCS3)no2)CCCCC1 288905345 BPHZSIDHWGIRLY-LBPRGKRZSA-N 276.405 3.863 30 20 CHED Cc1c(C#N)cccc1NC(=O)Cc1coc2ccccc12 552125192 NYQKPRUOWRKKDR-UHFFFAOYSA-N 290.322 3.794 30 20 CHED Cc1cccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1C 550744774 SLHMXYUWWSVIHC-SFHVURJKSA-N 284.403 3.896 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1occc1C(C)C 285443447 OLTISOHUWMAUIW-UHFFFAOYSA-N 276.380 3.995 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)C1CCC(CC)CC1 466367115 PNSASRSDJLGOGX-SHARSMKWSA-N 266.429 3.951 30 20 CHED Cc1c([C@@H](NC(=O)[C@H](C)C#N)C(C)C)oc2ccccc12 467540137 OLTCDWNOLJZBRB-ABAIWWIYSA-N 284.359 3.714 30 20 CHED C=CCCCCCCNC(=O)c1cc2ccccc2nc1O 286863037 CDSMHCONXATTTL-UHFFFAOYSA-N 298.386 3.807 30 20 CHED C=CCCCCCCCCNC(=O)C(C)(C)C#N 288018254 CGMLTXWWBACELB-UHFFFAOYSA-N 250.386 3.569 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H]1C1CCCC1 472871050 NYPYTKZQLIECNH-OAHLLOKOSA-N 264.413 3.707 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@]12CCC(C)(C)C2 639403349 GSGYKOSYRQAUEY-KRWDZBQOSA-N 270.376 3.647 30 20 CHED CCc1nc(C(C)C)ccc1CN(C)[C@@H](C)CC#N 292823702 OCZXFVCUVJCEQT-ZDUSSCGKSA-N 259.397 3.501 30 20 CHED C=Cc1ccc(CCNCC(C)(C)CCC#N)cc1 291000220 BSYLBSLWALBMKY-UHFFFAOYSA-N 256.393 3.792 30 20 CHED Cc1ccc(C(=O)N2CCc3ccc(C#N)cc32)cc1Cl 550520989 XDDMZYQZICAQES-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=CCCC1(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)CC1 476402905 GUXGGUCITMORHW-YESZJQIVSA-N 281.399 3.577 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C\c2cccs2)cc1 809257409 DFHCPKMRKJLJEM-YDZSZYSISA-N 296.395 3.705 30 20 CHED CC#CCOC(=O)c1sc2cc(F)ccc2c1C 805707270 RKHROZGIJRPGHD-UHFFFAOYSA-N 262.305 3.529 30 20 CHED C=CCOc1ccc(CNC(=O)C2(CC(C)C)CC2)cc1 560995933 KBWQEZRDXAPRKV-UHFFFAOYSA-N 287.403 3.694 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCCc2nn(C)cc21 801097020 FASTXDZFPUSVET-HNNXBMFYSA-N 291.439 3.664 30 20 CHED C[C@@H](C1CC1)n1cc(Nc2nc(Cl)c(C#N)s2)cn1 804624149 LGRRMTGIOHVTJG-ZETCQYMHSA-N 293.783 3.579 30 20 CHED C=CCN(CCC#N)Cc1ccc(Sc2ccccn2)o1 294031650 VSYLSIHVGJEEOR-UHFFFAOYSA-N 299.399 3.727 30 20 CHED C[C@H](C#N)OCCN[C@@H](c1ccc(Cl)cc1)C1CCC1 801937073 CYAUWJWVVSXORT-MLGOLLRUSA-N 292.810 3.699 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)Nc1ccc(C#N)cc1 473410856 FASCNUSZUNHJMO-ZIAGYGMSSA-N 293.370 3.872 30 20 CHED CCc1ccc(NC(=O)Cc2c(F)cccc2C#N)cc1C 560620217 AAQNXZFIZLHHDW-UHFFFAOYSA-N 296.345 3.749 30 20 CHED C=CCCCCCCNC(=O)N1CCS[C@@H](C)[C@@H]1C 806005257 GFLOEIPZSYSEGC-KBPBESRZSA-N 284.469 3.658 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccc(OC(F)F)cc1 299714809 RDANPWQWZGOZFH-MNOVXSKESA-N 268.307 3.631 30 20 CHED CC[C@@H]1CCC1=NNc1ccc(OC(F)F)cc1 807968441 OQHNCTPKYISMKC-SECBINFHSA-N 254.280 3.876 30 20 CHED C=CCCCCCCNC1CCN(CC2CC2)CC1 806168320 IPJLJHUEUWURMX-UHFFFAOYSA-N 264.457 3.587 30 20 CHED C=CCCCCNC(=O)N[C@H](C)c1cccc(OCC)c1 472956113 UJZISOSCWDVMGJ-CQSZACIVSA-N 290.407 3.802 30 20 CHED C#CCCc1noc([C@@H](F)CC2CCCCC2)n1 809396627 BKXVYFPLWHFTKG-LBPRGKRZSA-N 250.317 3.616 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OCCOC)c(Cl)c1 294483739 JLDUPMQGSRZRJY-UHFFFAOYSA-N 297.782 3.516 30 20 CHED CSc1ccccc1[C@H](C)OC(=O)c1ccc(C#N)[nH]1 800413157 BTHOUEGIPWXDAU-JTQLQIEISA-N 286.356 3.526 30 20 CHED CC#CC(=O)N(Cc1cccs1)c1ccc(C)cc1 801155868 SEWIXXFNIGPQFR-UHFFFAOYSA-N 269.369 3.613 30 20 CHED CC(C)OCCON=Cc1ccc(C2CCC2)cc1 814937071 UAJSOWWHVVTYQK-UHFFFAOYSA-N 261.365 3.730 30 20 CHED N#CCCCCOC(=O)Cc1c[nH]c2cccc(Cl)c12 814526117 DLRYRNTVQCUSEV-UHFFFAOYSA-N 290.750 3.601 30 20 CHED Cc1nsc(Oc2cccc(C=O)c2Cl)c1C#N 814903088 QMQRXCCIQVGXHP-UHFFFAOYSA-N 278.720 3.581 30 20 CHED CCOc1cc(C=NOC2CCC2)cc(Cl)c1OC 812237303 TXNKJHBDQAVBOY-UHFFFAOYSA-N 283.755 3.650 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](c1ccccc1)C(C)C 814858006 GOYSTPSIYATLFX-CYBMUJFWSA-N 267.319 3.711 30 20 CHED Cc1cccc(CN(C)c2ccc(C#N)c([N+](=O)[O-])c2)c1C 488448564 LLPTUJIFEWFNSS-UHFFFAOYSA-N 295.342 3.720 30 20 CHED C=CCCCCOC(=O)c1ccnn1C(CC)CC 811011051 MAPZSWUEDMZYCZ-UHFFFAOYSA-N 264.369 3.757 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C1CC1)c1cccc(C#N)c1 815470238 ONRAKLKIAJKLJV-GFCCVEGCSA-N 271.360 3.989 30 20 CHED CCCCCCCC(=O)N1CC[C@H](c2ccncc2)C1 816656738 BVISSBJJRBHSRE-INIZCTEOSA-N 274.408 3.758 30 20 CHED CCCC[C@@H]1CCCC1=NNC[C@@H]1CCSC1 811661106 DWDHWAXDWISUPY-QWHCGFSZSA-N 254.443 3.675 30 20 CHED C1CCN(CCNN=C2CCC3(CCCC3)CC2)CC1 811639076 NSXCDRQLSWDEMM-UHFFFAOYSA-N 277.456 3.552 30 20 CHED CSC1(C=NNc2ccc(F)c(F)c2F)CCC1 814946873 ZTBAQOIWNQFOTN-UHFFFAOYSA-N 274.311 3.787 30 20 CHED C=CCCCC(=O)Nc1cccc(-c2ncco2)c1C 575823475 DQCXQMRLPJEUBO-UHFFFAOYSA-N 270.332 3.945 30 20 CHED CCc1cccc(Cl)c1C=NNC[C@H]1CCSC1 811658955 QKECKACTGHVGIJ-LLVKDONJSA-N 282.840 3.579 30 20 CHED C=CCCCCOC(=O)c1ccc(OC(C)(C)C)cn1 816089186 LPUNSNTZHYVQQI-UHFFFAOYSA-N 277.364 3.772 30 20 CHED CC1(C)C(=NNc2ccc(F)c(F)c2F)[C@H]2CCCO[C@H]21 814945210 QIYJIDDPQSABSI-XLKFXECMSA-N 298.308 3.707 30 20 CHED Cc1cc(C)c2[nH]cc(C#N)c(=NCc3occc3C)c2c1 488698037 DUUUSNKYBCEXGG-UHFFFAOYSA-N 291.354 3.659 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccc(F)cc1C 815593455 MNGYXDRHDBAHOM-HNNXBMFYSA-N 297.373 3.997 30 20 CHED C=C(CNCc1cc(Cl)c(F)cc1O)c1ccccc1 816542222 HLDWCUVQBGUKPP-UHFFFAOYSA-N 291.753 3.988 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 489317944 FDBWVLFHGVNLNG-QGZVFWFLSA-N 284.403 3.672 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CC[C@H](C2CCCC2)C1 817471440 XIDYMENEKBAJKQ-LPADLIQXSA-N 294.398 3.610 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1onc(C(F)(F)F)c1CC 577505216 FEXIXLAHBSWMTC-LBPRGKRZSA-N 290.285 3.797 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](c2ccc(C)cc2)C1 574817586 CNKPEOWFJNOVCJ-QGZVFWFLSA-N 294.398 3.612 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 488842918 KZAXBHXKBSEPHK-CYBMUJFWSA-N 283.293 3.886 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1cccc(F)c1C#N 487588412 UYBNWPHKHKOWIL-LBPRGKRZSA-N 276.355 3.642 30 20 CHED C=CCC1(C(=O)NCCc2ccc(Cl)nc2)CCCC1 826928040 CMNLNZDPJPEDLZ-UHFFFAOYSA-N 292.810 3.530 30 20 CHED C=CCC1(c2nc(-c3coc(C)n3)no2)CCCCC1 575835499 AXKXNIIVUFOWDL-UHFFFAOYSA-N 273.336 3.811 30 20 CHED C=C(C)CNC(=S)Nc1cc(C(F)(F)F)ccc1F 727978492 GSURSJSMJQEXEC-UHFFFAOYSA-N 292.301 3.707 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@@H]1CCCCC(F)(F)C1 490749708 DHUSWHBUQNAMCY-CYBMUJFWSA-N 288.382 3.810 30 20 CHED C=C[C@@H](CC)Cc1nc([C@@H]2CCC(F)(F)C2)no1 904069749 QDCOVTUQKGPNEC-VHSXEESVSA-N 256.296 3.727 30 20 CHED CC(C)[C@@H](C)C(=O)N(O)Cc1cccc2ccccc12 901369762 HCVCSLTWCNOVIP-CYBMUJFWSA-N 271.360 3.850 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H]1CCC(C)=C(C)C1 908669826 WXUUBYAQIMZMFY-JKSUJKDBSA-N 289.419 3.649 30 20 CHED C#Cc1cccc(CNCc2ccc(OC(C)C)cc2)c1 825227680 XUBSFMAXGKOSTL-UHFFFAOYSA-N 279.383 3.745 30 20 CHED N#CC1(CC[S@](=O)CC=C(Cl)Cl)CCCCC1 905236433 RNCPOPRJPHSZFA-QGZVFWFLSA-N 294.247 3.918 30 20 CHED Cc1cc(C(=O)/C=C/c2nc(C)c(C)[nH]2)c(C)s1 901431315 SGBVPHGQPCQZBV-AATRIKPKSA-N 260.362 3.601 30 20 CHED C=C[C@@H](CCC(=O)O)NC/C=C/c1c(C)cc(C)cc1C 904014458 RKLCAHGKQWMLCW-MOEXGYKKSA-N 287.403 3.634 30 20 CHED C[C@H](CNCc1ccc(O[C@H](C)C#N)cc1)C(C)(C)C 734511122 YKOUPZUIFGKBDE-ZIAGYGMSSA-N 274.408 3.749 30 20 CHED CC[C@H](C)CCCCC(=O)Nc1n[nH]c(C2CC2)c1C#N 588767945 ARQVNWDWXUEYQR-NSHDSACASA-N 288.395 3.704 30 20 CHED COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)cc(OC)c1 730948871 NUFKNNGZRIXZFM-VIZOYTHASA-N 294.350 3.835 30 20 CHED CCC(Cc1ccccc1)=NNc1ccc(F)cn1 731318642 JYHYCXFVJHCJRG-UHFFFAOYSA-N 257.312 3.641 30 20 CHED C#Cc1cccc(CN[C@@H](C)[C@@H](OC)c2ccccc2)c1 834903418 PKLYCKMXYYOKTB-HNAYVOBHSA-N 279.383 3.534 30 20 CHED CCCCCCC(C)=NNc1ccccc1S(C)(=O)=O 731933381 LMQVDOJGLSLEBM-UHFFFAOYSA-N 296.436 3.848 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)CCc1ccc(C#N)cc1 497746242 QUGBMHGZRUQYFD-IAGOWNOFSA-N 284.403 3.576 30 20 CHED C=C[C@](C)(CC)COC(=O)[C@@H]1CC12CCSCC2 835337952 YALLLHZMWAMWIS-GXTWGEPZSA-N 268.422 3.665 30 20 CHED C=CCC[C@@H](NCc1cc(N(C)C)ccn1)c1ccco1 903198881 QUCAZSCOTYFOPA-MRXNPFEDSA-N 285.391 3.538 30 20 CHED Cc1ccc2oc(NCc3ccc(OCC#N)cc3)nc2c1 734141183 MTUHCZYAGZKJFH-UHFFFAOYSA-N 293.326 3.651 30 20 CHED Cc1nsc(NC[C@H]2CCc3ccccc3C2)c1C#N 587980260 BISMJIXCPIRNQM-LBPRGKRZSA-N 283.400 3.540 30 20 CHED C=CCC[C@H](NC[C@H](C(C)C)N1CCCC1)c1ccco1 583515638 LNGJMXBQROPCEZ-DLBZAZTESA-N 290.451 3.997 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)sc1C 839044988 RNXFPNRUBURDRP-NWDGAFQWSA-N 263.362 3.604 30 20 CHED N#CC[C@H](CC(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 839058893 MJZNKYDMWAMPDM-OIISXLGYSA-N 296.370 3.700 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3ccncc3s2)C1 839059532 UEAVFRACSZLROR-PWSUYJOCSA-N 286.356 3.535 30 20 CHED CC(C(=O)O[C@@H](C)c1cccc(C#N)c1)=C1CCC1 838237877 NXVWUUQRLJLXLS-LBPRGKRZSA-N 255.317 3.663 30 20 CHED CCc1cccc(NC(=O)Nc2ccc(C#N)c(F)c2)c1 589348817 HDIWGMWDAWNPEP-UHFFFAOYSA-N 283.306 3.904 30 20 CHED Cc1cc(OCCCCC2(C#N)CCC2)cc2c1C(=O)CO2 902777267 XWLASPREYPCDJW-UHFFFAOYSA-N 299.370 3.813 30 20 CHED C[C@@H](C#N)OCCN1CC2(CCCC2)[C@H]1c1ccccc1 839127801 YMGLXGKMZQHMNK-DOTOQJQBSA-N 284.403 3.532 30 20 CHED CC(C)C(=NNc1cc(C(F)(F)F)ccn1)C1CC1 834984066 MRBKPFKYQLQUSV-UHFFFAOYSA-N 271.286 3.934 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839448421 ILOMTDWUFZJVBS-TZMCWYRMSA-N 284.359 3.507 30 20 CHED Cc1ncccc1/C=C\C(=O)c1ccc(O)c(Cl)c1 588480342 LUSOVUNWNOVHSG-XQRVVYSFSA-N 273.719 3.645 30 20 CHED Cc1cc(C)c2c(c1)CN(C(=O)CCCCCC#N)CC2 588164480 VNGQTHPZZRKFTP-UHFFFAOYSA-N 284.403 3.662 30 20 CHED N#Cc1ccc(Cl)cc1NCCc1nc2ccccc2[nH]1 582075161 LEFHOPWIEIORRN-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 674957060 QVOWHGFWXIEDFF-RKDXNWHRSA-N 272.175 3.788 30 20 CHED CC[C@H](C#N)OC(=O)C1=C(c2ccccc2)CCCC1 838066414 IEEPNODARORWHG-CQSZACIVSA-N 269.344 3.860 30 20 CHED CCC/C(C)=C/C(=O)N[C@@](C)(C#N)CCc1ccccc1 732105992 PWFLMMSQWRMJIY-FDPSAONLSA-N 284.403 3.764 30 20 CHED C=CCN(C(=O)[C@@H]1CCc2c(Cl)cccc21)C1CC1 678863617 XMKKKYOURUCSMZ-CQSZACIVSA-N 275.779 3.547 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)sc1C 839044990 RNXFPNRUBURDRP-RYUDHWBXSA-N 263.362 3.604 30 20 CHED CSc1ccc(/C=C/C(=O)c2cncs2)cc1 735792299 BFMDJFASNPKOML-QPJJXVBHSA-N 261.371 3.761 30 20 CHED CSc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)ccc1F 839051606 DXGFRPCTFQKGMG-PWSUYJOCSA-N 293.363 3.787 30 20 CHED COc1cccc(O)c1/C=N\Cc1cc2ccccc2o1 915978220 CMXUMXUWSWBPOE-WQRHYEAKSA-N 281.311 3.766 30 20 CHED CSCC1CCC(=NNc2ncccc2F)CC1 834976891 CKHWGTUMZWVGGR-UHFFFAOYSA-N 267.373 3.542 30 20 CHED N#CCC1(CNc2cccc(Oc3ccccn3)c2)CC1 594703819 YGZQBBTUWWULJQ-UHFFFAOYSA-N 279.343 3.980 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 590996790 HLROXXUZBGUPNA-DTWKUNHWSA-N 262.378 3.512 30 20 CHED CCn1cc(C(=O)/C=C\c2ccccc2OCC(C)C)cn1 834420428 HQKZGMBJIUHGLE-KTKRTIGZSA-N 298.386 3.834 30 20 CHED C=C(Cl)CNC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 743620775 QNQSCZDZGBRHMM-QMTHXVAHSA-N 296.773 3.671 30 20 CHED CC(=NOCC(F)F)c1c(C)oc2ccccc12 834968076 CETQCXIRWSSFDK-UHFFFAOYSA-N 253.248 3.747 30 20 CHED C=CCCSCCNC(=O)Nc1cccc(SC)c1 596626114 AWPDYKILSHIJTP-UHFFFAOYSA-N 296.461 3.839 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)OCCCCC#N)s1 744141006 QNLAFIHTSDEZBL-BQYQJAHWSA-N 292.404 3.691 30 20 CHED Oc1nc2ccccc2cc1/C=N\C[C@@H]1CCCC1(F)F 840710501 SNPBIRFSASDVPI-ATDWHHCWSA-N 290.313 3.795 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCn2c(Cl)ccc2[C@@H]1C 848088959 UIHDNLWXLWWNSP-XHDPSFHLSA-N 280.799 3.647 30 20 CHED C=CCCNC(=O)Nc1ccccc1S[C@H](C)CC#N 596732736 NMILHSQCZDEGQV-GFCCVEGCSA-N 289.404 3.778 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCC1(CSC)CC1 595584870 KHMDQPGLEMAJTK-CYBMUJFWSA-N 284.469 3.564 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 674933636 DRVZJWVATHEDGJ-DZGCQCFKSA-N 297.402 3.631 30 20 CHED CC(=NNc1cccc(Cl)c1Cl)[C@@H]1CCCO1 841644678 JTFAKJKUAQTYOV-NSHDSACASA-N 273.163 3.960 30 20 CHED CC(=NNc1cccc(F)n1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842533924 XGAINCAOOVPYAH-AVGNSLFASA-N 259.328 3.611 30 20 CHED CCCCCC[C@H](C)NN=Cc1c(C)nc2sccn12 743449923 CKWCZABVTARAJN-LBPRGKRZSA-N 292.452 3.987 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 597546416 RGJFQGRMIJEPLY-OAHLLOKOSA-N 276.424 3.745 30 20 CHED C=CCCCC(=O)OCc1ccccc1OC(F)F 748227645 UCIHMANIUPPOKX-UHFFFAOYSA-N 270.275 3.688 30 20 CHED CC[C@H](C#N)C(=O)NCc1ccc(-c2cccs2)cc1 597976721 YIVKSINZUTZPIE-CYBMUJFWSA-N 284.384 3.581 30 20 CHED CC(C)(C#N)C[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccccc1 598705590 KVFAOHOCGXFGQQ-SJORKVTESA-N 298.430 3.514 30 20 CHED CCCC/N=C(/NCCc1ccc(F)cc1)NC(C)(C)C 912497271 OEOKGPSCQGLUSX-UHFFFAOYSA-N 293.430 3.502 30 20 CHED C[C@H]1CCCC(=NNc2ccc(CC(=O)O)cc2)[C@@H]1C 848413940 FOVIZSKNYIUFNJ-NWDGAFQWSA-N 274.364 3.538 30 20 CHED N#C[C@@H](C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc2ccccc2n1 845438176 KXVXLUNNJIXAEN-ARFHVFGLSA-N 290.366 3.847 30 20 CHED COC(=O)/C=C\c1ccc(/C=C/C(=O)C2CCCCC2)o1 848638288 FBKIGHXMMBZQEU-IXIPZQGVSA-N 288.343 3.628 30 20 CHED COc1ccccc1-c1ccc(C=NNCC(F)F)cc1 741460999 SEDXDTAMZLDXEA-UHFFFAOYSA-N 290.313 3.551 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CC(C1CCC1)C1CCC1 599082664 FGNMJOVGBGPSQR-ZDUSSCGKSA-N 276.424 3.601 30 20 CHED C=C(C)CONC(=O)Nc1ccc2c(ccn2CCC)c1 844530503 HDPOLPDJXXZODD-UHFFFAOYSA-N 287.363 3.681 30 20 CHED CC(=NNc1ccc(Br)c(C)c1)[C@@H]1CCOC1 741762599 PEVPTQCRGZLOCH-LLVKDONJSA-N 297.196 3.582 30 20 CHED COCCOc1ccc(CNc2ccc(C#N)cc2C)cc1 846746425 ZPHHLMZSPBUGEO-UHFFFAOYSA-N 296.370 3.504 30 20 CHED Oc1ccc2ccccc2c1/C=N\Cc1cccc(F)n1 747690236 GIOSSRQXMXLSMA-ODLFYWEKSA-N 280.302 3.699 30 20 CHED CCC(Cc1ccccc1)=NNCc1ccc(OC)cc1 917547255 MFWJJGPECAIPNO-UHFFFAOYSA-N 282.387 3.794 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc2ccccc2n1 595347272 PLKLOBKMCMWYCH-UHFFFAOYSA-N 296.418 3.782 30 20 CHED C#CCC1(C(=O)Nc2cccc(C(C)=O)c2O)CCCCC1 843891090 XRSZJPYBISCZAX-UHFFFAOYSA-N 299.370 3.507 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2CC23CCCC3)cc1 747370211 MHYDKSZFTZSILF-MRXNPFEDSA-N 282.387 3.822 30 20 CHED CCCCCCCN(Cc1ccc(C(N)=O)cc1)C1CC1 740874408 JMBRWIFJVYQXIX-UHFFFAOYSA-N 288.435 3.720 30 20 CHED Cc1cc(C(=O)/C=C/c2ccnn2CC(C)C)oc1C 843267474 DAPYTRJTPNXHKR-AATRIKPKSA-N 272.348 3.645 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1CCC(=O)C1 843822120 PTYXAGJWFGZDEH-AWEZNQCLSA-N 267.413 3.613 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)CC1CCCCC1 929877379 JUMIPSPESGNYBS-UHFFFAOYSA-N 270.376 3.519 30 20 CHED C#CC1CCC(=NNCc2cccc3cccnc23)CC1 853289394 JULSTHQOCWYGGT-UHFFFAOYSA-N 277.371 3.504 30 20 CHED C=CCC(C)(C)COC(=O)[C@H](OC)c1cccc(OC)c1 851042535 LDJCCFYXXQUCBK-OAHLLOKOSA-N 292.375 3.528 30 20 CHED COc1ccc(/C=C2\CCCC(C)(C)C2=O)c(OC)c1 757529356 LYYWVHNZTQNSIZ-JLHYYAGUSA-N 274.360 3.866 30 20 CHED Fc1ccc(CNN=C2CCc3c(F)cccc32)cc1F 921258072 IOIJBVCZUXFEHL-UHFFFAOYSA-N 290.288 3.544 30 20 CHED COc1cc(C#N)cc(OC(=O)OCC2CCCCC2)c1 859130520 KKPGZJYEFZCEET-UHFFFAOYSA-N 289.331 3.663 30 20 CHED Cc1cccc(NN=Cc2cnn(Cc3ccccc3)c2)c1 751344558 GNPAPCWMMYREEO-UHFFFAOYSA-N 290.370 3.686 30 20 CHED C#CC1CCC(=NNc2ccc3ccccc3n2)CC1 853260272 MBTFUSBFNPEXAG-UHFFFAOYSA-N 263.344 3.826 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCO[C@H](c2ccccc2)C1 926179701 GEWYKRMWQZSUSR-OIISXLGYSA-N 286.419 3.825 30 20 CHED C=CC(C)(C)CCOC(=O)c1ccc(F)c(NC(C)=O)c1 851299405 KJMODFKTUAQWAW-UHFFFAOYSA-N 293.338 3.543 30 20 CHED COc1ccc(NN=C2c3ccccc3C[C@H]2C)cc1 750946638 YDXTZXOGPDVWEC-GFCCVEGCSA-N 266.344 3.704 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)OCCC(C)C 858880594 RVCQERLHHXLKHC-UHFFFAOYSA-N 277.320 3.518 30 20 CHED C#CCCCCNC(=O)N[C@H](CCC)Cc1ccccc1 758743748 DWJMZBOXDBZRDD-QGZVFWFLSA-N 286.419 3.501 30 20 CHED C#CC[C@H](N[C@@H](C)c1nc(C)cs1)c1ccccc1 858383652 ZTFVDSWIXDGXOT-ZFWWWQNUSA-N 270.401 3.867 30 20 CHED C[C@@H](OC(=O)c1ccc2sccc2c1)C(C)(C)C#N 753616665 SCDQOQURKAOTBM-SNVBAGLBSA-N 273.357 3.996 30 20 CHED CC(C)(NCc1ccc(OCC#N)cc1)c1cccs1 754824867 LHSZMCLFMSVIQO-UHFFFAOYSA-N 286.400 3.675 30 20 CHED CCN(CCC#N)C(=O)c1ccc2c(c1)-c1ccccc1C2 752815213 CSUBTGMPDHYPMU-UHFFFAOYSA-N 290.366 3.634 30 20 CHED C#C[C@](C)(CC)NCc1ccccc1Oc1cccnc1 852102986 VGZUJILVNNSDLD-GOSISDBHSA-N 280.371 3.765 30 20 CHED CCc1ccc(C=NNCc2cccc(Cl)c2)o1 760261037 VSOWNONGYBQFBT-UHFFFAOYSA-N 262.740 3.619 30 20 CHED Cc1ccc(C#N)c(N2CCC(CC(C)C)CC2)n1 766429942 SODUBCHRURSZHZ-UHFFFAOYSA-N 257.381 3.524 30 20 CHED CC[C@]1(C)CCN(Cc2ccc(N(C)CCC#N)cc2)C1 769518782 CXLHOWAAKSIVDY-GOSISDBHSA-N 285.435 3.658 30 20 CHED CC(C)(CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(F)cc1 866385563 NRUMJMGCVCFMQN-AWEZNQCLSA-N 290.382 3.548 30 20 CHED CCSc1cc(Cl)ccc1C(=O)O[C@@H](C)C#N 764622170 NZANEDNOEMWERY-QMMMGPOBSA-N 269.753 3.521 30 20 CHED N#CC1(CCCCN2CCC(F)(F)CC2)CCC1 930292925 LFRYTABXYFORHS-UHFFFAOYSA-N 256.340 3.582 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1ccc(F)c(C#N)c1 761489353 JLFZOEDCRPIVNI-LLVKDONJSA-N 277.339 3.813 30 20 CHED C=C1CCN(C(=O)Nc2cc(C)ccc2Cl)CC1 930399232 OBJZYNDYVHFNML-UHFFFAOYSA-N 264.756 3.832 30 20 CHED Fc1ccc(CC=NNc2ccccn2)c(Cl)c1 766430769 CEIGTHSWPGPVED-UHFFFAOYSA-N 263.703 3.515 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H](C)c2cnc(C)s2)c1 864347486 RGASSZFWYRHGAU-NUEDXCKTSA-N 290.388 3.736 30 20 CHED C=CCCCCCONC(=N)CCC(F)(F)F 863491246 XQBNZMOHXZSGOS-UHFFFAOYSA-N 252.280 3.574 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(F)cc2O)ccc1C#N 766492085 UWQSHRMIAYEAON-CLTKARDFSA-N 281.286 3.608 30 20 CHED C#CCOc1ccc(F)cc1NC/C(Cl)=C/Cl 763243174 FFLKIEDEHDSHEY-CLFYSBASSA-N 274.122 3.569 30 20 CHED CCCCCCC[C@H](C)NCC1(O)CCN(C(C)C)CC1 768517869 PQETUBCWASXBCX-KRWDZBQOSA-N 298.515 3.560 30 20 CHED Cc1nc(N[C@H]2CCCc3cnn(C(C)C)c32)ccc1C#N 1117711262 UCRSUSDZOXTVBC-HNNXBMFYSA-N 295.390 3.529 30 20 CHED Fc1ccc(NN=C2CC[C@H]2c2ccccc2)nc1 769779586 NYOBCDAFCOBPBS-ZDUSSCGKSA-N 255.296 3.566 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1ccccc1Cl 1116639468 XODWYPALNGBQDM-DGCLKSJQSA-N 250.773 3.553 30 20 CHED C#CCCCCCC(=O)N(CC(F)(F)F)C1CCCC1 779971182 BUGSVLLSGIZFJP-UHFFFAOYSA-N 289.341 3.904 30 20 CHED C[C@@H](C(=O)N(C)c1ccc(C#N)c(Cl)c1)C1CCC1 876168071 GIRCNNHZRSNGQL-SNVBAGLBSA-N 276.767 3.611 30 20 CHED N#C[C@H](OC(=O)C=C(C1CC1)C1CC1)C1CCCCC1 776380858 NSRGKWXQWHPFPL-INIZCTEOSA-N 273.376 3.748 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc(C#N)c(F)c1 776727257 UFXHTJVBMALMMR-CMDGGOBGSA-N 265.287 3.902 30 20 CHED CCOc1ccc(C=NOCc2ncc(Cl)s2)cc1 774727817 ZQKGKAIJZSJBFV-UHFFFAOYSA-N 296.779 3.746 30 20 CHED COc1ccc(C#N)cc1CN(C)CC1CCCCC1 130425226 AWXILFDULUFXLQ-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C#CCCCCCC(=O)Nc1cnc(Cl)c(C)c1 779973190 ISLYSKISCWJMQC-UHFFFAOYSA-N 264.756 3.566 30 20 CHED COc1ccc(C(C)=NN=c2cc[nH]cc2)c2ccccc12 779811842 LBUSZLUQBHIHBO-UHFFFAOYSA-N 291.354 3.501 30 20 CHED COC(=O)c1ccccc1NN=C[C@H](C)c1ccccc1 776187643 WBSFMJLUTSONBY-ZDUSSCGKSA-N 282.343 3.675 30 20 CHED C=CCC[C@H](Nc1ccc(N(C)C(=O)NC)cc1)C1CC1 883317497 JXZWHEXKPZBYEP-INIZCTEOSA-N 287.407 3.619 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(CC(C)C)CCCC2)n1 1129377605 NNCCKPFWCNTOHZ-UHFFFAOYSA-N 285.391 3.807 30 20 CHED COc1ccc(CCC=NNc2ccc(C#N)cc2)c(C)c1 777431656 YPNFTHCECWTDHM-UHFFFAOYSA-N 293.370 3.906 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1C#N 1126489128 PXVOMJCKLKZKJZ-UHFFFAOYSA-N 287.322 3.560 30 20 CHED C#CC[C@H](Nc1cc(C2CC2)ncn1)c1ccccc1 882136802 RJJTULCGSFFYNR-HNNXBMFYSA-N 263.344 3.531 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 889969093 BZRMIZSHAPQNLS-ROUUACIJSA-N 299.414 3.769 30 20 CHED COC(=O)CCc1cccc(NCCCC(C)(C)C#N)c1 786115726 AJFCERJMPRWQNE-UHFFFAOYSA-N 288.391 3.534 30 20 CHED c1ccc(-c2nnc(NN=C3CCC34CCCC4)s2)nc1 788726991 YZUMDORTVLMBKD-UHFFFAOYSA-N 299.403 3.722 30 20 CHED C=C1CCC(C(=O)N(CC(F)(F)F)c2ccccn2)CC1 888383451 TWENICDZTGARQT-UHFFFAOYSA-N 298.308 3.723 30 20 CHED CC(CCc1cccc(C)c1)=NNc1ncncc1Cl 780283067 UNPJIDYVQNIWDZ-UHFFFAOYSA-N 288.782 3.859 30 20 CHED CSC1(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)CCC1 786442142 KHRBYHISEPGNAT-SNVBAGLBSA-N 294.445 3.728 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C#N)cn1 783301058 SNAOJRXZBAXSNW-XIKOKIGWSA-N 295.361 3.506 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2c(C=O)c[nH]c2c1 1120734563 ZGWUYIMOFBURAU-HNNXBMFYSA-N 296.370 3.551 30 20 CHED CC#CCCCC(=O)N1Cc2ccccc2[C@H]1CC 890615103 PYFOZSQANDUOAO-MRXNPFEDSA-N 255.361 3.674 30 20 CHED C[C@@H]1CCC(=NNc2ncnc3ccsc23)[C@H](C)C1 783855309 HBEBKQAWXIILAG-NXEZZACHSA-N 274.393 3.915 30 20 CHED CC(C)(C#N)CCCOC(=O)CCC(=O)c1ccccc1 781936358 BJZGETZBIJGZGV-UHFFFAOYSA-N 287.359 3.523 30 20 CHED COc1ccc(NN=C2CC[C@@H](C)c3ccccc32)nc1 780268042 PJOJKLQZRIVTEA-GFCCVEGCSA-N 281.359 3.804 30 20 CHED CN(C)[C@@H]1CCCC(=NNc2c(F)cccc2Cl)C1 788441656 UWFOHGOIUGSSEI-LLVKDONJSA-N 283.778 3.751 30 20 CHED C=C1CCC(C(=O)Oc2cc(C(C)=O)ccc2OC)CC1 893044806 OCNJYLAELJPXNO-UHFFFAOYSA-N 288.343 3.550 30 20 CHED CSc1ccc(C)c(NC(=O)Nc2cccc(C#N)n2)c1 1206772712 BEAMCDBLMRSSGD-UHFFFAOYSA-N 298.371 3.628 30 20 CHED CCC(CC)[C@@H](C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 792100136 KVRMUCATXVXPNI-TZMCWYRMSA-N 295.386 3.878 30 20 CHED Fc1cccc(NN=Cc2ccc(Cl)cc2Cl)n1 795009991 RYHSYBJQMSPEDY-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C#CCC1(C(=O)Nc2cccc3ocnc23)CCCCC1 791004277 PWZZXWOBWLNUEI-UHFFFAOYSA-N 282.343 3.740 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H]1CCOc2ccc(OC)cc21 797083118 KBILOOSHCISWBG-OAHLLOKOSA-N 290.359 3.664 30 20 CHED COc1cccc2c1CC/C(=C\c1ccc(Cl)nc1)C2=O 799502705 PPEKLOWUAWFTKC-FMIVXFBMSA-N 299.757 3.956 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(F)cc1 793175645 UMBBPXHMYBUUFZ-UHFFFAOYSA-N 263.703 3.710 30 20 CHED Cc1cc(C)cc(NCc2ccc(C#N)c(F)c2)c1 190329786 QPCCEZJSMPCHCX-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CCOc1cccc([C@H](CC)OC(=O)c2ccc(C#N)o2)c1 796948248 FDCCJFJSEXVZNN-HNNXBMFYSA-N 299.326 3.858 30 20 CHED CC(C)(C#N)CCCN1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 792910710 VUCHSFGUXBQJLA-AAEUAGOBSA-N 289.250 3.832 30 20 CHED C=CCC(C)(C)C(=O)OCc1nc2cccc(Cl)c2[nH]1 797249822 AMMJHSMHLQPPIL-UHFFFAOYSA-N 292.766 3.862 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Cl)nc2)oc1C 799898453 ZNGYSTIGYRFUEK-HYXAFXHYSA-N 261.708 3.841 30 20 CHED CC[C@H](OC(=O)c1cc(C#N)oc1C)c1ccccc1 797887637 OAIKABIAUNMTRT-HNNXBMFYSA-N 269.300 3.768 30 20 CHED CN(C(=O)[C@H](F)CC1CCCCC1)c1ccc(C#N)cc1 796733299 PMDMBFMDESVKRE-MRXNPFEDSA-N 288.366 3.830 30 20 CHED CC[C@@](C)(C#N)C(=O)OC[C@H](OC(C)C)c1ccccc1 795598205 HAEIFFHSBUUOSU-RDJZCZTQSA-N 289.375 3.636 30 20 CHED C#CCN(CCCCC(F)(F)F)C1CCCCC1 751966354 SLLRRAGHCIEGRS-UHFFFAOYSA-N 261.331 3.987 30 20 CHED CC[C@H]1CCC[C@@H](Nc2nc3c(cc2C#N)CCC3)C1 85065949 XZQIYTNMXNGRGE-SWLSCSKDSA-N 269.392 3.823 30 20 CHED CCCOc1ccc(Nc2cc(C)c(C#N)cn2)cc1 1307072673 PJKBYPBHKHRYGY-UHFFFAOYSA-N 267.332 3.794 30 20 CHED CC1CC(COc2ccc(Br)cc2C#N)C1 1165827041 UOJICIWQMNKWCX-UHFFFAOYSA-N 280.165 3.746 30 20 CHED N#CCc1cccc(NCC2(Cc3ccccc3)CC2)n1 1325710004 KZFFYZUVWFOWII-UHFFFAOYSA-N 277.371 3.582 30 20 CHED Cc1ccnc(CSCc2ccccc2C#N)c1 1320687954 WHCCQBAXPGRKJG-UHFFFAOYSA-N 254.358 3.695 30 20 CHED Cc1ccc2oc(SCc3ccc(C#N)s3)nc2n1 1189043299 YQMCRIIAGOROMV-UHFFFAOYSA-N 287.369 3.757 30 20 CHED CC[C@@H](NC(=O)CC#Cc1ccccc1)C1CCCCC1 1323871467 AVVRJURVZOCXLQ-GOSISDBHSA-N 283.415 3.903 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1338740642 SXZXOONAKLFJRX-JTQLQIEISA-N 284.762 3.758 30 20 CHED C[S@](=O)c1ccc(C=NNc2ccc(Cl)cc2)cc1 1339941975 OIWBTSDHSZHFQG-IBGZPJMESA-N 292.791 3.523 30 20 CHED CC(C)c1nc(C=NNc2ccc(Cl)cn2)cs1 1330654009 UTXKKGWBHCTRNR-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCC(=C)C 1337025182 BTSPIKFNHGPGLG-UHFFFAOYSA-N 261.340 3.697 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(SC)o1 1339153760 XITPCODKJLXXQT-LLVKDONJSA-N 265.378 3.572 30 20 CHED N#Cc1cc(C(=O)N2CCC(c3ccccc3)CC2)cs1 1261254128 ZSWCVLAGRVZWKM-UHFFFAOYSA-N 296.395 3.640 30 20 CHED C=CCC[C@H]1CCCN1c1nnc([C@H](C)SC)n1CC 1342768351 UXIPPRNGJUWXSX-STQMWFEESA-N 294.468 3.657 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)c1cncs1)c1cccs1 1343907400 XGBRCUOURUSEMG-BXKDBHETSA-N 292.385 3.652 30 20 CHED CCCCCCCCC(=O)NC1CCC2(CC1)OCCO2 107237768 BLKKDWJCSBNDDN-UHFFFAOYSA-N 297.439 3.539 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H]1CCC[C@@H](C)C1 1351264049 OVXLQNVNGKZGIN-RISCZKNCSA-N 257.333 3.602 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 1435040290 DFZOQCPOQKEXOC-LRDDRELGSA-N 288.366 3.786 30 20 CHED CC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1357158279 YDACIEOAGPAGGK-GFCCVEGCSA-N 295.342 3.730 30 20 CHED CC(C)CCN(CCC(C)C)C(=O)C1(C#N)CCCC1 220537695 WXWJZWLBPLZFFC-UHFFFAOYSA-N 278.440 3.991 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ncc(Cl)cc1Cl 1514858830 KZMUAKRIZUSWEW-NSHDSACASA-N 299.201 3.959 30 20 CHED N#Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCC2)cc1 1280387178 DZJJMPRIIRUVMI-UHFFFAOYSA-N 294.329 3.897 30 20 CHED CC[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)C1CCCC1 1525704098 MLBQJHAFRNNDHI-DLBZAZTESA-N 284.403 3.769 30 20 CHED N#Cc1ccc(C(=O)O[C@@H](c2ccccc2)C(F)(F)F)o1 1525712785 RJQCMXNXDQFTPV-LBPRGKRZSA-N 295.216 3.612 30 20 CHED C=C(CNC(=O)[C@@H]1CCc2cc(F)ccc21)c1ccccc1 1460673992 NVYBVMQJXJNSDX-GOSISDBHSA-N 295.357 3.685 30 20 CHED N#Cc1ccc(CCSCc2ccccc2C(=O)O)cc1 1601097445 FTZUDCWDQQTMDR-UHFFFAOYSA-N 297.379 3.732 30 20 CHED O=C(O)c1csc(C(=O)/C=C/c2c(F)cccc2F)c1 1608991243 MIXMRBZCCCCCNC-SNAWJCMRSA-N 294.278 3.621 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(C#N)ccc1F 1535455771 UIMGUBSUCWNBPB-AAEUAGOBSA-N 274.339 3.852 30 20 CHED C[C@@H]1CN(C(=O)c2cc(C#N)ccc2F)[C@H]1c1ccccc1 1465469406 RMNVMDCERHRKNS-SJKOYZFVSA-N 294.329 3.531 30 20 CHED N#Cc1ccc(CNCc2nc3ccccc3o2)cc1Cl 1461475485 LLMWKSIDGWQQPT-UHFFFAOYSA-N 297.745 3.643 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)c1cc(C#N)ccc1C 1537691275 VQGUIASHQVVWRE-UHFFFAOYSA-N 290.366 3.632 30 20 CHED N#Cc1cccc(OCc2ccc(-c3ncco3)cc2F)c1 1613423953 PZAWPQPMYNHONB-UHFFFAOYSA-N 294.285 3.931 30 20 CHED N#Cc1cccc(Oc2ccc(NC(=O)CCF)cc2)c1 1543247276 DFKSRHBDDBTONI-UHFFFAOYSA-N 284.290 3.649 30 20 CHED CCc1cc(Oc2cc(Cl)ccc2C#N)nc(CC)n1 1472727735 BHYWFGMFSCDQJN-UHFFFAOYSA-N 287.750 3.919 30 20 CHED Cc1c(Cl)cnc(N[C@H](C2CCC2)C2CC2)c1C#N 1639998328 UVBJZVBLSRAIFN-CQSZACIVSA-N 275.783 3.906 30 20 CHED C=C(Cl)Cn1c(N2CCCCCC2)nnc1C(C)(C)C 1722558580 RFJLZWBVVGCRHM-UHFFFAOYSA-N 296.846 3.709 30 20 CHED CC(C)[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H](C#N)C1 1660704382 GSNKZUWOSOVWQM-KSZLIROESA-N 270.420 3.926 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 1583534406 KSNRMMNRJGPFQW-UONOGXRCSA-N 298.292 3.579 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Nc2ccc(F)c(C#N)c2)c1 1668160867 QHRLETHHRUUQPU-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CC[C@H](C)[C@H](Sc1cccc(C#N)c1Cl)C(=O)O 1594929493 SPIOSWBDWBWSTL-UFBFGSQYSA-N 283.780 3.803 30 20 CHED C[C@@H](CNC(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1672120681 AOVBXPZBCKNFKU-LBPRGKRZSA-N 297.333 3.623 30 20 CHED CCc1ccc(C=NNc2ccc(C(=O)O)c(F)c2)cc1 1776073421 UNKXMHANXFNUSY-UHFFFAOYSA-N 286.306 3.532 30 20 CHED CC(=NNc1ccccc1C(=O)O)C12CCC(CC1)C2 1776032018 IUTPQBLMACWXKT-UHFFFAOYSA-N 272.348 3.753 30 20 CHED C[C@@H]1CC(=NNc2ccc(CC(=O)O)cc2)CC(C)(C)C1 1776083480 JDXNOINEGPXRJU-GFCCVEGCSA-N 288.391 3.928 30 20 CHED CC[C@H](C)CON=C1CCCCc2cc(C(=O)O)ccc21 1776112418 YNEPNECUBOWRIE-LBPRGKRZSA-N 289.375 3.878 30 20 CHED C[C@@H](C#N)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 19623709 FZNJRJPLUBPPNB-WMLDXEAASA-N 289.382 3.801 30 20 CHED C[C@H](CC#N)N(C)CCOc1cc(Cl)cc(Cl)c1 161891361 JZYXQRULKDNMRN-SNVBAGLBSA-N 287.190 3.606 30 20 CHED CC(C)CO[C@H](C)c1noc(CSCCCCC#N)n1 161903514 GJYKOIOLBXGAAV-GFCCVEGCSA-N 297.424 3.730 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(C#N)cc1 165214614 MKLKCGVFEHWICV-AWEZNQCLSA-N 275.355 3.589 30 20 CHED CC(C)(C#N)CNC1CC(c2cccc(Cl)c2)C1 168942365 QBTVAOXQUJWDES-UHFFFAOYSA-N 262.784 3.725 30 20 CHED CCC[C@@H](C)C(=O)N[C@@H](CCC#N)c1ccccc1 153371858 FMSXVNSREFOXEF-HIFRSBDPSA-N 258.365 3.584 30 20 CHED C=C[C@@H](CC(=O)Nc1nnc(C2CC2)s1)c1ccccc1 155635625 LBTJNMXWGRVJBF-NSHDSACASA-N 299.399 3.714 30 20 CHED Cc1cc(C)c(NC(=O)c2ccc(C#N)c(Cl)c2)c(C)n1 154011371 QIPWPFDTJIJDJD-UHFFFAOYSA-N 299.761 3.784 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)Cc2ccccc21 209085451 FLBPVJDVXZJAPS-WQLSENKSSA-N 256.251 3.787 30 20 CHED CCc1ccc(CNc2cc(F)cc(C#N)c2)cc1 234160163 SEOSHVCITGOQFL-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(Br)cc1F 126828107 CNVLUIZUQAUTMB-DTWKUNHWSA-N 272.161 3.813 30 20 CHED CCOCCCCNc1c(Br)cccc1C#N 865451883 DXJOSRKSOPNVRV-UHFFFAOYSA-N 297.196 3.549 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H]2CCCC[C@H]2C1 252667556 LJRJCEITYVCHPJ-STQMWFEESA-N 258.340 3.714 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]3CCCC[C@@H]32)c1 35174458 SKJWGHFWLIXAHV-IRXDYDNUSA-N 254.377 3.713 30 20 CHED CCOC(=O)CCCCCOc1cc(Cl)ccc1C#N 161661121 IMRWVIXZXYFUBZ-UHFFFAOYSA-N 295.766 3.714 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)cc1)c1cccs1 48443779 MVZRVKUVXCPAHB-CYBMUJFWSA-N 270.357 3.501 30 20 CHED N#Cc1ccc(N(Cc2cccs2)C2CC2)c(F)c1 49024836 BXBPHKVVUVEPDH-UHFFFAOYSA-N 272.348 3.928 30 20 CHED Cc1ccc(C#N)cc1NCc1c(F)cccc1F 50429036 QLBHJWAUTQJMGI-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=CCCC(C)(C)NCc1cnc(C(C)(C)C)nc1 657805963 ZABMGFRXDCVRIB-UHFFFAOYSA-N 261.413 3.609 30 20 CHED Cc1cc(N(C)[C@H](C)c2ccccc2F)cc(C#N)n1 308268166 BSCFQQHVTBAEEB-GFCCVEGCSA-N 269.323 3.598 30 20 CHED C=CCN(CC(=O)c1cc(C)n(C)c1C)Cc1ccccc1 530778466 GAMZOTLMSDDBPK-UHFFFAOYSA-N 296.414 3.513 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCc2cc(C#N)n(C)c2)CC1 480266556 PKWUKDLTBKGVRI-CVEARBPZSA-N 273.424 3.591 30 20 CHED COc1cccc(COc2cc(Cl)cc(C#N)c2)c1 388353160 FWFCMFJDNVKKLF-UHFFFAOYSA-N 273.719 3.799 30 20 CHED Cc1ccc([C@@H]2CCCN2c2nccc(C#N)c2Cl)o1 334262505 ZOXMUVGREJNSDK-LBPRGKRZSA-N 287.750 3.850 30 20 CHED CC(C)COc1ccccc1NC(=O)c1cccc(C#N)c1 55766374 IUUVDSVAQHRICV-UHFFFAOYSA-N 294.354 3.845 30 20 CHED N#CC1(C(=O)N2CCC(c3ccccc3)CC2)CCCCC1 57385981 LZYIHLMHRRPGTM-UHFFFAOYSA-N 296.414 3.867 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C)[C@H]2C)c1 175325342 LETAYLGWIAWCBZ-ZIAGYGMSSA-N 288.391 3.904 30 20 CHED C=CCOc1ccc(CNCc2cc(F)ccc2F)cc1 105496403 PXMLLPRUIOQDOO-UHFFFAOYSA-N 289.325 3.819 30 20 CHED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCOc2ccccc21 102971187 IELJIYBLCTVKOK-JLHYYAGUSA-N 295.294 3.644 30 20 CHED C#CCOc1ccc(C(=O)N(CC)c2cccc(F)c2)cc1 172750077 KIQFIHUANXVDPT-UHFFFAOYSA-N 297.329 3.504 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1sccc1C#N 52027686 KCUMDKHTBXSRKA-LLVKDONJSA-N 264.394 3.566 30 20 CHED COc1ccc(C#N)cc1NC(=O)CCCc1ccccc1 64455725 LGAFASOMPBOUFX-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C=CCN(CC=C)C(=O)/C=C/c1nc2ccccc2s1 68323113 RNOBUKPPHRWUFC-MDZDMXLPSA-N 284.384 3.510 30 20 CHED C#CC[C@@H](OC(=O)c1cc2ccccc2o1)c1ccccn1 113661002 AVNQZIXMPNVENE-MRXNPFEDSA-N 291.306 3.749 30 20 CHED C#CCCCCC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 119889483 DHHGERUPLNQVFW-FZMZJTMJSA-N 293.769 3.645 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1csc(C2CC2)n1 134878696 NOGXDMXKHNOIIG-UHFFFAOYSA-N 283.400 3.524 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)C2(c3ccc(Cl)cc3)CC2)C1 179860088 IOBYZUDZTGYQQY-FZMZJTMJSA-N 289.762 3.607 30 20 CHED C=CCCCC(=O)Nc1cnccc1OC(C)(C)C 178671958 HETSAZFMBZVQTK-UHFFFAOYSA-N 262.353 3.554 30 20 CHED CN(CCCc1ccccc1)CCOc1ccccc1C#N 60468843 ULNKHKUSOGDLSA-UHFFFAOYSA-N 294.398 3.502 30 20 CHED Cc1nc(-c2cccc(C(=O)NCCCCC#N)c2)cs1 173068976 QSVAIVORJPXHFT-UHFFFAOYSA-N 299.399 3.542 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1c1ccccc1OC 175546086 JHRXEIOAIOAALB-HNNXBMFYSA-N 273.376 3.715 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@H]2CCC[C@@H]21 1343523869 RKCUOZYNNATMRR-NEPJUHHUSA-N 296.365 3.561 30 20 CHED CC[C@H](C)Oc1cc(CNc2ccc(F)cc2C#N)ccn1 302796848 AATJGHGAUUHXBJ-LBPRGKRZSA-N 299.349 3.882 30 20 CHED CC(C)C[C@@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2n1C 171033478 YOMOUZFWLBKWPJ-KGLIPLIRSA-N 297.402 3.822 30 20 CHED N#Cc1ccc(NC(c2cccs2)c2cccs2)nn1 302007758 UWKFEHHFBPYBFB-UHFFFAOYSA-N 298.396 3.673 30 20 CHED CC(C)(CCC#N)CNCCc1cc2ccccc2o1 174419367 OEOBOMXQOWPPBZ-UHFFFAOYSA-N 270.376 3.895 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 409722984 VFDWOJQTEXMZAI-WDEREUQCSA-N 285.309 3.890 30 20 CHED COc1cc(C(=O)/C=C/c2cc(C)cc(C)c2)ccc1O 60132634 CJJLDLKBWVUXFV-GQCTYLIASA-N 282.339 3.914 30 20 CHED CC(C)c1noc([C@H](C)Sc2cccc(C#N)c2)n1 177113790 FRFAHOWXEIQVTJ-JTQLQIEISA-N 273.361 3.918 30 20 CHED Cc1ccsc1C/N=C(\N)N[C@H](C)CCCC(C)C 303770214 BQRLUOALZNFSQB-CYBMUJFWSA-N 281.469 3.676 30 20 CHED CCOc1ccc2c(c1)CN(Cc1ccc(C#N)s1)CC2 123150571 VHZONUFEBFRJEX-UHFFFAOYSA-N 298.411 3.577 30 20 CHED Cc1noc(C)c1CO/N=C/c1ccc(C(C)C)cc1 66059399 IZTGOJVGOBSRQU-RQZCQDPDSA-N 272.348 3.966 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 542279163 MWKSDURPLNEEDV-INIZCTEOSA-N 256.393 3.765 30 20 CHED C#CCOc1ccc(C(=O)N(C2CC2)[C@@H](C)[C@H](C)CC)cc1 303818835 DMIWKNBRPGYTSN-CABCVRRESA-N 299.414 3.738 30 20 CHED C=CCn1c(SC(CC)CC)nnc1-c1ccncc1 185421751 DVKIHJULCKWEOA-UHFFFAOYSA-N 288.420 3.807 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2sccc21 123299287 IXQQFCZGKILYAO-AWEZNQCLSA-N 296.395 3.987 30 20 CHED N#Cc1ccc(CNc2ccc(N3CCCC3)cc2)cc1 35018798 MRXWCPOTNWGHIC-UHFFFAOYSA-N 277.371 3.771 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 503905574 ZNMBVRQIHBVNRJ-QFPYFPQMSA-N 284.403 3.838 30 20 CHED CCn1c([C@H](C)N[C@H]2CCC[C@H](C#N)C2)nc2ccccc21 185885623 AQMIXOJHYDINMX-KKUMJFAQSA-N 296.418 3.789 30 20 CHED CO[C@](C)(C1CC1)[C@@H](C)Nc1ncc(Cl)c(C)c1C#N 413525304 YHDZKXOKHLVARK-BMIGLBTASA-N 293.798 3.531 30 20 CHED C[C@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1ccccn1 76824817 MFLMZRUOYNJOOH-CJNGLKHVSA-N 296.345 3.666 30 20 CHED CC1(C)CN(Cc2ccccc2)CC[C@H]1NCCCCC#N 282518677 PHQQGJCSJVQBSL-GOSISDBHSA-N 299.462 3.571 30 20 CHED N#Cc1ncc(NC(=O)CCC2CCCC2)cc1Cl 411033167 PEIVSASNIGOWQW-UHFFFAOYSA-N 277.755 3.516 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(CC#N)cc1 412810761 IKCPGKMVECZHGC-CVEARBPZSA-N 284.403 3.697 30 20 CHED C[C@@H](SCCn1cc(Cl)cn1)c1ccc(C#N)cc1 419412478 CIMDMVMPKJIAPL-LLVKDONJSA-N 291.807 3.903 30 20 CHED CN(Cc1ccccc1Cl)Cc1ccc(F)cc1C#N 487974666 LNKSORZCOWAPBM-UHFFFAOYSA-N 288.753 3.983 30 20 CHED Cc1cc(CN2CCC[C@@H]3CCC[C@@H]32)ccc1C#N 488442268 TWJJKYQUTIJFAU-RDJZCZTQSA-N 254.377 3.631 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(Oc2ccccn2)c1 185729090 GOVNUOALLUHKJO-UHFFFAOYSA-N 294.354 3.862 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(F)cc2C)cc1 180450926 QLZKNFGFPTZNEO-UXBLZVDNSA-N 297.329 3.989 30 20 CHED CCCCCN(C(=O)NC[C@@H](C)C#N)[C@@H](C)CCC 182758452 VGGGYVQGSOMQTF-KBPBESRZSA-N 267.417 3.536 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 504578455 QMICGQSZOLROLW-ZSHCYNCHSA-N 289.419 3.909 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(F)cc1F 180459239 HGENRCUXBCFECI-JTQLQIEISA-N 257.349 3.535 30 20 CHED CC(C)Oc1cccc(CNc2ccc(OCC#N)cc2)c1 314896455 JPTRAUUUYJLCRO-UHFFFAOYSA-N 296.370 3.988 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)c1cccs1 187528300 PTFRWURKZBZALA-GFCCVEGCSA-N 278.421 3.782 30 20 CHED CCCOc1cccc(CCN[C@@H]2CCC[C@@H](C#N)C2)c1 185869398 QQAIHMLALMHOLA-IAGOWNOFSA-N 286.419 3.690 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)Oc2c(Cl)cccc21 189847106 IVCWBLFNQCOIHZ-GFCCVEGCSA-N 291.778 3.648 30 20 CHED Cc1ccccc1[C@@H]1CCCN1c1ncc(C#N)cc1F 413070400 LLTNQONUQVYPEC-INIZCTEOSA-N 281.334 3.742 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1CC(C)(C)C1 412840698 NWXWTNORDJKHBL-MRXNPFEDSA-N 271.404 3.726 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 410128132 QBDZYZFZYFFOCF-OCCSQVGLSA-N 295.810 3.887 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2sccc2C#N)c1 130570539 NFXYROZXJDNZRY-NSHDSACASA-N 270.357 3.670 30 20 CHED CC(C)(C#N)CC(=O)NCC(C)(C)C1CCCCC1 502859226 CXPYALANJKWMEM-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccoc1 181574597 UNAFMQMLCPYAJM-XJKSGUPXSA-N 254.333 3.975 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C(C)C)cc1 131542915 SOMDYSRDURDEHZ-WFASDCNBSA-N 286.375 3.503 30 20 CHED CCN(CCOCC1CCC1)[C@@H](C)c1ccc(C#N)cc1 419216171 ZROFNQFIYDNPPV-HNNXBMFYSA-N 286.419 3.758 30 20 CHED N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1 46439681 OQURCZRIQLWTQB-JTQLQIEISA-N 291.137 3.878 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)Sc2ccccc21 186015941 ATFLUGDTFXOMSV-CYBMUJFWSA-N 273.401 3.707 30 20 CHED CN(C(=O)c1cc2c(s1)CCCCC2)C1(C#N)CCC1 49314122 XGJQWBSNRIGJCI-UHFFFAOYSA-N 288.416 3.535 30 20 CHED C[C@H](SC/C(O)=N/C1CCCCCC1)c1cnccn1 329810553 QUAQLHBVRMRBJS-LBPRGKRZSA-N 293.436 3.950 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)nn1C(CC)CC 410141364 FVPGKHYAIZNLDP-ZDUSSCGKSA-N 277.412 3.637 30 20 CHED N#Cc1csc(C(=O)Nc2cc(-c3ccccc3)on2)c1 84405483 OOFYECAIEBBDSF-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 86284636 UNNFOFXRVXOEDR-GOEBONIOSA-N 283.375 3.663 30 20 CHED COc1cccc2c1CC[C@@H](Nc1ccc(CC#N)cc1)C2 190524817 YVNAXFJAWPSUFP-QGZVFWFLSA-N 292.382 3.731 30 20 CHED Cc1noc([C@H](C)/N=C(/O)C[C@@H]2CCc3ccccc3C2)n1 329253379 WBSMNCXPSBMENT-WCQYABFASA-N 299.374 3.591 30 20 CHED C=C[C@@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1 135372337 VKHRAFUUDQPUSC-HNNXBMFYSA-N 282.387 3.641 30 20 CHED Cc1cc(/C(O)=N/[C@H](C)CCC2CC2)c2n[nH]cc2c1 329962678 SHGZAQZTLRGRRS-LLVKDONJSA-N 271.364 3.755 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(Cl)cc2F)C1 614912427 VDRDPUMLQUZFAF-CQSZACIVSA-N 266.747 3.605 30 20 CHED CCc1cc(C#N)c(N=C(O)[C@H]2CCCSC2)s1 329843179 XGNRSSCPMWVBOE-VIFPVBQESA-N 280.418 3.913 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(SC)cc1OC 425562131 BTGULFDNUGDPQI-UHFFFAOYSA-N 279.405 3.958 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(-c2cccnc2)cs1 190528849 NUBAKXGSNBCTAF-OAHLLOKOSA-N 287.388 3.746 30 20 CHED N#CCSCC(=O)Nc1cccc(-c2cccs2)c1 195387553 GDMHREHDRLCMKN-UHFFFAOYSA-N 288.397 3.610 30 20 CHED CCS[C@H]1CCCC[C@H]1N=c1[nH]ccc(C#N)c1Cl 429204858 YTFBPGXAYIADTE-NEPJUHHUSA-N 295.839 3.505 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/CC[C@@H]2C[C@H]3CC[C@H]2C3)CC(O)=N1 329338230 MYJOADXHAUQSMQ-HTOAHKCRSA-N 278.396 3.524 30 20 CHED C=C[C@@H](C)NC(=O)CCCc1ccc(CC(C)C)cc1 513936585 WBOHILOUIMCFJY-OAHLLOKOSA-N 273.420 3.899 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 424705487 AAEDXEPFIVDPDB-CQSZACIVSA-N 275.367 3.744 30 20 CHED C#C[C@H](OC(=O)c1cccc(Oc2nccs2)c1)C1CC1 134136839 XHUFDICYHGDNTF-AWEZNQCLSA-N 299.351 3.504 30 20 CHED C#Cc1cccc(NCc2cn(C)nc2-c2ccccc2)c1 130451605 QTDYRPBFEQZDOV-UHFFFAOYSA-N 287.366 3.681 30 20 CHED CC[C@H](C)NC(=O)[C@H](C)S[C@@H](C)c1cccc(C#N)c1 190906612 DFXVYFCBOIYLRH-AVGNSLFASA-N 290.432 3.656 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)Cc1ccc(C)o1 338787256 IWJZXCUVBJXZFH-UHFFFAOYSA-N 288.395 3.515 30 20 CHED CC(C)(NCc1ccc(F)cc1C#N)c1ccccc1F 429237278 OIDMZYKBTXRKRA-UHFFFAOYSA-N 286.325 3.861 30 20 CHED CCCN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 425540136 UWQQJMJUZAMOOD-NSHDSACASA-N 270.298 3.829 30 20 CHED C[C@H]1CCC[C@H](C)C1NCCCC1(C#N)CCOCC1 337194289 WDLOVTYONSJYOR-GJZGRUSLSA-N 278.440 3.501 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCCCCC1 425644064 KSKZBNVPBLTFCE-CQSZACIVSA-N 299.418 3.983 30 20 CHED Cc1cc2cc(C(=O)N3CCC(CC#N)CC3)oc2cc1C 336034236 MUGMUVJHSBUJHJ-UHFFFAOYSA-N 296.370 3.816 30 20 CHED Cc1ccc(N=C(O)N2C[C@@H]3CCC[C@H]32)cc1-c1ncco1 330136963 UPDQYIXUESOJDC-SWLSCSKDSA-N 297.358 3.680 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](C)C[C@H]1C 424219497 DJDGUXLVJNSSBY-ZIAGYGMSSA-N 276.428 3.602 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCCc1ccccc1Cl 514820865 RLTUXFSRORZXQJ-ZDUSSCGKSA-N 292.810 3.671 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H](F)C3)c2c1 514832369 AARNXLTYZHLNMT-AWEZNQCLSA-N 283.350 3.662 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1cc2ccccc2s1 337404546 ISEYGVVLJWDZNT-JTQLQIEISA-N 295.367 3.592 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](C2CCCC2)C1 420874529 YSCLVULRLNOTHR-CABCVRRESA-N 264.413 3.563 30 20 CHED C=CCC[C@H](N[C@H](COC)C1CC1)c1ccccc1 90580617 RCUGBBCJZMZBTJ-DLBZAZTESA-N 259.393 3.709 30 20 CHED Cc1csc(NC(=O)c2cnc(C3CC3)s2)c1C#N 335141958 GBJXZVXVRBIYLK-UHFFFAOYSA-N 289.385 3.514 30 20 CHED CC1(C)CN(C(=O)Nc2cccc(C#N)c2)c2ccccc21 96717920 CYNYGRFTUYEYGZ-UHFFFAOYSA-N 291.354 3.888 30 20 CHED COc1ccc(NC(=O)c2ccc(C#N)s2)cc1Cl 335388504 AGGJYAZJUWULRM-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 334732091 UDFOIEAFFZCATR-NSHDSACASA-N 291.782 3.670 30 20 CHED C=CCC[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 439079982 PYICUMJPHAMGAI-MOPGFXCFSA-N 284.447 3.595 30 20 CHED N#C[C@H](NC(=O)c1cc[nH]c1C1CC1)c1ccccc1Cl 339954457 BOLGNJKJULOXKC-AWEZNQCLSA-N 299.761 3.540 30 20 CHED CC[C@H](C)[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 236988647 FKKIUFLKAWYMPA-IHRRRGAJSA-N 260.381 3.502 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1c(F)cc(F)c(F)c1F 430743069 NRWGFFRUZYTNDB-BDAKNGLRSA-N 275.289 3.933 30 20 CHED C=CCN(C(=O)c1ccc(Cl)nc1Cl)C(C)(C)C 232500162 KOJONGZFDYEZSM-UHFFFAOYSA-N 287.190 3.815 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(O)c1 93872412 AJJCYXNRMUWNBX-RTBURBONSA-N 292.382 3.664 30 20 CHED CSc1ccc2nc(-c3ccc(C#N)cc3F)[nH]c2c1 435684507 LXWHVBQPIZTVLA-UHFFFAOYSA-N 283.331 3.963 30 20 CHED CC(C)(C#N)CCCCSCCOCC(F)F 435885485 KQLCCGUFZNFCPK-UHFFFAOYSA-N 265.369 3.721 30 20 CHED C=C(CC)CNc1cnn(-c2ccccc2F)c1C 349729378 JIIXNAPNZFMLGC-UHFFFAOYSA-N 259.328 3.698 30 20 CHED C[C@@]1(CN2CCC[C@H](CC#N)C2)C[C@H]1c1ccccc1 602706189 IUXTVTLLAQJTDA-NJAFHUGGSA-N 268.404 3.806 30 20 CHED Cn1cc(/C=C\c2ccncc2C#N)c(-c2ccccc2)n1 349115932 YFHODAZBTRVBIK-FPLPWBNLSA-N 286.338 3.524 30 20 CHED C[C@H]1CC[C@H](c2noc(-c3ccc(C#N)c(Cl)c3)n2)O1 528230407 GJRIIOLYMKWKAI-QPUJVOFHSA-N 289.722 3.502 30 20 CHED COC[C@H](NCC(C)(C)CCC#N)c1ccc(Cl)cc1 348206934 NCLYXWCKJXLFDR-HNNXBMFYSA-N 294.826 3.947 30 20 CHED C[C@H]1CN(Cc2ccccc2)CCCN1C[C@H](C)CCC#N 602470853 IYAJFRGSKMMPKD-MSOLQXFVSA-N 299.462 3.523 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1c[nH]c2ccccc12 255140149 RJHSJAMNEPSBRE-ALCCZGGFSA-N 281.286 3.909 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1sccc1C#N 602229843 QPZGFSGQWGKBHL-LBPRGKRZSA-N 284.384 3.746 30 20 CHED Cc1c(Cl)cccc1N=Cc1ccc(O)c(O)c1O 255374455 KFZFMBFRMFOZAI-UHFFFAOYSA-N 277.707 3.516 30 20 CHED Cc1csc(NC(=O)N2CCC[C@@H]2C2CCC2)c1C#N 521757639 ZUNCALVUTLDJBB-CYBMUJFWSA-N 289.404 3.725 30 20 CHED Cc1ncc(CNc2ccccc2SC[C@H](C)C#N)cn1 349786399 BVZLJCUVKUGWDT-GFCCVEGCSA-N 298.415 3.649 30 20 CHED N#Cc1cnccc1/C=C/c1cc(Br)cs1 347427638 JLVFEXCWCJGLCZ-OWOJBTEDSA-N 291.173 3.948 30 20 CHED C=CCCCC[C@H](C)Nc1cccc2c1OCC(=O)N2 449327790 GMIBJPXEAPRJNY-LBPRGKRZSA-N 274.364 3.564 30 20 CHED C=C1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 525369977 UTYYYDQCOHIKQQ-RYUDHWBXSA-N 293.769 3.761 30 20 CHED N#CCCCN1CCCc2c(F)cc(Br)cc21 348844736 URBJOBASUYIHPC-UHFFFAOYSA-N 297.171 3.645 30 20 CHED COCc1cc(C#N)ccc1N[C@@H]1CCc2ccc(O)cc21 603414254 PFYHTSCLLMTQDF-GOSISDBHSA-N 294.354 3.510 30 20 CHED C=CCC1(CNCc2cn(C)nc2C(F)F)CCCC1 449606984 UOOYKJNTKIVUSX-UHFFFAOYSA-N 283.366 3.584 30 20 CHED C[C@H](C1CC1)N(Cc1ccccc1)Cc1cccc(C#N)n1 602434284 PDWUHFQDUIZXJG-OAHLLOKOSA-N 291.398 3.754 30 20 CHED CCOc1ccc(C[C@H](C)CNC[C@@H](C)CCC#N)cc1 602686732 HHIOJYBZYPHDDB-HOTGVXAUSA-N 288.435 3.793 30 20 CHED C=CC[C@H](CO)CN[C@H](CC)c1cccc(Cl)c1F 359416906 JDKKGUFAIHXSGQ-SMDDNHRTSA-N 285.790 3.704 30 20 CHED C=CCCN(C)C(=O)Nc1cc(Cl)cc(F)c1F 442218445 UMMIWGJWRBPSJJ-UHFFFAOYSA-N 274.698 3.658 30 20 CHED CCN(Cc1cccc(C#N)c1F)[C@@H](C)c1cccc(O)c1 352870309 PTJRQRLTAAFHOK-ZDUSSCGKSA-N 298.361 3.986 30 20 CHED C=CCCSCCNC(=O)[C@@H](C)Cc1ccccc1C 600089851 AOCKEIXYSCIWAK-HNNXBMFYSA-N 291.460 3.599 30 20 CHED C=C(CC)CSCc1ncc(C)c(OC)c1C 538524600 FSQXBGOCQDXNDB-UHFFFAOYSA-N 251.395 3.906 30 20 CHED N#CCC(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 358148228 JSKXJBXPNBKEOA-UHFFFAOYSA-N 296.292 3.505 30 20 CHED CC(C)C[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1 443509334 MPIYTRJOKPCMAF-NSHDSACASA-N 297.324 3.987 30 20 CHED N#Cc1cccnc1/C=C/c1cnc(-c2ccccc2)[nH]1 352005686 FBQPUDPGSMNGIB-CMDGGOBGSA-N 272.311 3.514 30 20 CHED COc1ccc(N/C(N)=N/CC2(C(C)C)CC2)cc1Cl 262840602 UINYGXKBTOEMSE-UHFFFAOYSA-N 295.814 3.511 30 20 CHED Cc1ccccc1OCCCNCc1ccc(C#N)cc1F 533446461 DZEOTAOWZMNTER-UHFFFAOYSA-N 298.361 3.565 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccnn1C1CCCC1 449007665 AGJZXMIPQJRGGA-UHFFFAOYSA-N 294.402 3.502 30 20 CHED Cc1nc(-c2ccccc2)c(NC(=O)CC(C)(C)C#N)s1 447340678 MBQALSYYOZSXCX-UHFFFAOYSA-N 299.399 3.997 30 20 CHED CS[C@H](C)CCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 358403187 NZHVZPBYYDXJIF-ZWNOBZJWSA-N 296.823 3.553 30 20 CHED C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@](F)(C#N)C1 615647045 STAOMHMYBSCMST-TVQRCGJNSA-N 287.165 3.992 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccccc2OCCF)C1 449385614 GKXVYJHXZOIYRV-STQMWFEESA-N 262.328 3.529 30 20 CHED CN1CCCN(Cc2ccc(C#N)cc2)c2ccc(F)cc21 533072503 ZBQMJJGGCHYQBB-UHFFFAOYSA-N 295.361 3.544 30 20 CHED C=C(C)COc1cccc(NC(=O)NC2(C3CC3)CC2)c1 532130873 JMNIMSVHYVRKCW-UHFFFAOYSA-N 286.375 3.706 30 20 CHED N#CC1(c2nc(-c3ccc(Cl)cc3)no2)CCCC1 267048152 DVBHWJQNOZNSTR-UHFFFAOYSA-N 273.723 3.725 30 20 CHED CCC(C)(C)CCN(CCOC)Cc1ccc(C#N)cc1 441473924 MSVXCCCBLGHGNF-UHFFFAOYSA-N 288.435 3.833 30 20 CHED C=CCN(CC=C)C(=O)CCCOc1ccc(Cl)cc1 614561115 LTRNYDQIYGYIQB-UHFFFAOYSA-N 293.794 3.700 30 20 CHED CC1CCC(N(C)C(=O)Nc2ccc(C#N)c(F)c2)CC1 353540006 NXXAFIUZDPXEAO-UHFFFAOYSA-N 289.354 3.740 30 20 CHED C=CCOc1cccc(CN2CCc3ccsc3C2)c1 538735683 UOIBUNCCXIJQJR-UHFFFAOYSA-N 285.412 3.871 30 20 CHED CC(C)(CNc1cnccc1C#N)c1ccccc1Cl 539859810 TWUMKMCXMUFUJE-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C[C@]1(C#N)CCCN(Cc2cnc(C3CCCC3)s2)C1 612406826 VBQCOWQZCBJCSY-MRXNPFEDSA-N 289.448 3.926 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 537643329 SOEDTRYQZKPCBA-SECBINFHSA-N 296.292 3.881 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCc1ccccc1C 452328961 AEQLUIIYJMZYKG-QGZVFWFLSA-N 259.393 3.598 30 20 CHED CC[C@@H](CC(=O)NCC(C)(C)C#N)c1ccc(C)cc1 611689380 FULIBTMUZPTOHP-AWEZNQCLSA-N 272.392 3.545 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(CSC)c1 615534953 IGBYJNGGHSIJLE-UHFFFAOYSA-N 264.394 3.589 30 20 CHED Cc1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)c(Cl)c1 612290186 SGXICUVKVAAVHZ-HNNXBMFYSA-N 291.782 3.806 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@](C)(F)C1 362411434 PBKRKCDONJSJRI-HNNXBMFYSA-N 279.380 3.539 30 20 CHED CC(C)Oc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 274217522 PDHFOMIBESTXQX-HZPDHXFCSA-N 272.392 3.646 30 20 CHED C=CCOc1ccc(CN[C@H]2COc3ccc(F)cc32)cc1 546634712 YYUXIVGRVUVJKR-KRWDZBQOSA-N 299.345 3.614 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H](C)c1cccc(C)c1 545297558 SVOUXBDNHCRQJQ-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED C=CCCCCCN[C@H](C)c1ccc([S@@](C)=O)cc1 278820944 ILFAECZMBBARCA-AUUYWEPGSA-N 279.449 3.821 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCCC1(F)F 452140115 PSMHCKWVKBKPOD-NSHDSACASA-N 259.340 3.530 30 20 CHED CC[C@H](C)N(C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 360828756 AHCOMGGGWCWRCV-HNAYVOBHSA-N 299.462 3.646 30 20 CHED CCC(C)(C)OCCN[C@@H](C)c1ccc(C#N)c(F)c1 453398590 AHGVFYUTAREVMB-LBPRGKRZSA-N 278.371 3.553 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)CCCC#N 360206245 ZRMVUKDSUSIHBH-CYBMUJFWSA-N 250.386 3.545 30 20 CHED C[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)C(C)(F)F 452641545 GJTLCSLNRZTMPL-MRVPVSSYSA-N 286.709 3.636 30 20 CHED C#Cc1cccc(NC(=O)c2csc3c2CCCC3)c1 22408903 AJQGMXGFSVEXIR-UHFFFAOYSA-N 281.380 3.861 30 20 CHED C=C(C)[C@@H](CC(=O)N1[C@@H](C)CCC[C@H]1CC)OCC 620576807 IJFLPJGWIZLQSB-RRFJBIMHSA-N 267.413 3.537 30 20 CHED N#Cc1cc(NCCCc2ccsc2)ccc1F 543956177 BSZBPAPWXAQHGJ-UHFFFAOYSA-N 260.337 3.804 30 20 CHED C=C(C)CCNC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 458997232 IYBKDLOCJWBIFK-QWHCGFSZSA-N 252.402 3.561 30 20 CHED Cc1c([C@H](C)NC(=O)CCCC#N)oc2ccccc12 360036617 KOUXSOJEARPECH-LBPRGKRZSA-N 270.332 3.612 30 20 CHED C=CCC1(C(=O)Nc2cc(OC)ccc2O)CCCCC1 450110052 CQNUNPOUUBWLJG-UHFFFAOYSA-N 289.375 3.866 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCSC1 360656133 GDWVCFVXKOGXPS-DOTOQJQBSA-N 286.444 3.811 30 20 CHED C=CCC(C)(C)CNC(=O)NC1(c2ccccc2)CC1 458226933 KWFFRJOGKSMICL-UHFFFAOYSA-N 272.392 3.577 30 20 CHED CC#CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 278859240 LZCCFCOXGVQEBY-CYBMUJFWSA-N 282.170 3.680 30 20 CHED C#CC[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccccc1 270226440 HWGXGTKFPSDJAR-KDOFPFPSSA-N 296.414 3.724 30 20 CHED N#CCc1ccc(CN2CCCc3cc(F)ccc32)cc1 543139584 MPUNLKHJYYNZJV-UHFFFAOYSA-N 280.346 3.845 30 20 CHED C=C(CC)CSCC(=O)NCCc1ccc(Cl)cc1 540193387 HJTRVUWWPLSBLA-UHFFFAOYSA-N 297.851 3.698 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 540567083 WKQNXAVZZQKEEI-OKDNKWQNSA-N 298.430 3.759 30 20 CHED C=C1CCN(C(=O)c2cc3ccccc3n2CCC)CC1 468912910 JMGGQYRJVLKITB-UHFFFAOYSA-N 282.387 3.844 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H]1CCCc2sccc21)OCC 274304302 GEPIJLXYWSHKQR-UONOGXRCSA-N 293.432 3.613 30 20 CHED Cc1ccccc1[C@@H](C)c1noc(C2(C#N)CCCC2)n1 545126635 JPTIXWSWQHMXSF-CYBMUJFWSA-N 281.359 3.865 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 469156108 WZNQYHVNPDRJEQ-WDEREUQCSA-N 276.767 3.976 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C)c1 464160104 VDIJLMYKLMNJDR-DYVFJYSZSA-N 272.392 3.543 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1CC 465368001 VMKCTCFLRDRAIM-IAGOWNOFSA-N 286.419 3.963 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 467087828 BAZWAOLFTSAQCJ-GJZGRUSLSA-N 266.429 3.809 30 20 CHED C=CCN1CCC(N[C@H](Cc2ccccc2C)C2CC2)CC1 284131979 CYBHSZRZWPPYMM-HXUWFJFHSA-N 298.474 3.556 30 20 CHED CSc1ccccc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 282235927 ITKNOARTNQZQOF-XQQFMLRXSA-N 260.406 3.751 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)C[C@H]1C 460802602 HEKWVBOKNYOZPL-MGPQQGTHSA-N 276.428 3.602 30 20 CHED C=CCCCCN[C@@H]1CCN(C)[C@H](c2ccccc2)C1 551174886 HPMCYYFRWSKRNQ-MSOLQXFVSA-N 272.436 3.768 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 559349436 DEZOMJVIGUSMAN-UOVPBQLFSA-N 294.442 3.966 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1CCCSCC#N 374171808 DOFUULNWDANAEU-DOTOQJQBSA-N 288.460 3.901 30 20 CHED Cc1nc(SCC#Cc2ccc(Cl)cc2)[nH]c1C 555071291 QQERSVXYTZFUKS-UHFFFAOYSA-N 276.792 3.824 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N[C@H](C)CC#N 280771721 OKTAKMHTXMSWKM-GFCCVEGCSA-N 273.380 3.544 30 20 CHED CC[C@H](C#N)NC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 464121209 IEMSUWGQFNFQHW-OAHLLOKOSA-N 286.419 3.680 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)CCC1CCCCC1 280746238 LWDPRRFOTHZCEG-UHFFFAOYSA-N 274.364 3.502 30 20 CHED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 463119913 RWVQAGKWVGKYAB-AWEZNQCLSA-N 278.355 3.715 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCC(=O)c2ccccc21 287287618 YVUOZEGLDOFESG-QGZVFWFLSA-N 299.414 3.999 30 20 CHED C=C(C)[C@H](Nc1ncc(F)cn1)c1ccc(F)c(F)c1 475724884 MDLDWVKSEPLACJ-ZDUSSCGKSA-N 279.265 3.623 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N[C@H](C#N)C(C)C)cc1 470154625 JUFQGABSGFHKIY-WMLDXEAASA-N 286.419 3.968 30 20 CHED C=CCCC1(C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)CC1 476402902 GUXGGUCITMORHW-BRWVUGGUSA-N 281.399 3.577 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)N[C@](C)(C#N)C1CCCCC1 554734201 CNKGNEBGSXBJEQ-HNAYVOBHSA-N 298.430 3.844 30 20 CHED CCCCCCCC(=O)Nc1ncc(C(C)(C)O)s1 290573234 OOEOKSNWWMTKSP-UHFFFAOYSA-N 284.425 3.670 30 20 CHED C=CCN1CCC(N[C@@H]2CCC[C@H](CC(C)C)C2)CC1 474707250 IVMPJRZSAQBJEX-SJLPKXTDSA-N 278.484 3.831 30 20 CHED COC1(CNc2nc(Cl)c(C#N)s2)CCC(C)CC1 804680351 MLELELIDHFRZLE-UHFFFAOYSA-N 299.827 3.675 30 20 CHED CCN(CCO[C@@H](C)C#N)Cc1ccc2ccccc2c1 801915751 NTWGGSBZSWHBCP-HNNXBMFYSA-N 282.387 3.590 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(COC(C)C)c1 806232127 XGRDDMXSBYRXPI-OAHLLOKOSA-N 288.391 3.535 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1F 804420711 DJQIGEWLVKEBGQ-OAHLLOKOSA-N 287.721 3.583 30 20 CHED C[C@H]1C[C@H](CCNC(=O)C(C)(C)C#N)CC(C)(C)C1 470180505 ODHXSPPJRMAUOM-STQMWFEESA-N 264.413 3.505 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cc(F)ncc2F)cc1 806568133 RFIGLLCSGUMEPT-VMPITWQZSA-N 289.281 3.655 30 20 CHED C=CCN(C(=O)NCc1cc(C2CC2)ccc1F)C1CC1 297800245 XYWNRWGOQIKJBP-UHFFFAOYSA-N 288.366 3.563 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)C1(C)C 804618380 SCRNTUOZUATDHV-VHSXEESVSA-N 299.827 3.672 30 20 CHED COCC1(C/N=C\c2c(O)ccc3ccccc23)CCC1 800721194 KPTSTUMHGHNSQJ-ODLFYWEKSA-N 283.371 3.781 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1N(C)C1CCCC1 806350871 DXADMGBAMAYVMW-CQSZACIVSA-N 299.418 3.599 30 20 CHED COc1cccc(CCCNc2cc(C#N)ccc2OC)c1 470550485 YATQTUOMUKMFEA-UHFFFAOYSA-N 296.370 3.620 30 20 CHED CC[C@@H]1CN(c2ccnc(C#N)c2)CC[C@H]1c1ccccc1 561263093 PJHUCSBRZKILNI-DNVCBOLYSA-N 291.398 3.973 30 20 CHED Cc1cccc2c1OC[C@H](N[C@H](C)c1cccc(C#N)c1)C2 568920798 VRDCXLNDHBYANU-RDTXWAMCSA-N 292.382 3.521 30 20 CHED Cc1cc(SCc2nc(C(C)C)no2)ccc1C#N 569339577 KRTVFSBRTWSWGZ-UHFFFAOYSA-N 273.361 3.665 30 20 CHED C=C[C@@H](CC(=O)OCCCSCC#N)c1ccccc1 805518925 DLFUHLOYUVAYPB-AWEZNQCLSA-N 289.400 3.536 30 20 CHED C=CCCCCN[C@@H](COC)c1ccc(F)c(F)c1 471615838 YBXMAANKDQJGNI-HNNXBMFYSA-N 269.335 3.598 30 20 CHED C[C@H](C#N)OCCS[C@H](C)c1nc2ccccc2o1 802753101 WTXKEAWIUJQWES-GHMZBOCLSA-N 276.361 3.551 30 20 CHED C=CCN(CCC#N)C(=O)c1cccc(OC2CCCC2)c1 292420395 KQTUNWGLBRPGDS-UHFFFAOYSA-N 298.386 3.550 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N(CCC#N)c2ccc(F)cc2)C1 569898779 DDWMFDIPZOVWLW-ZIAGYGMSSA-N 288.366 3.899 30 20 CHED C=CCCCCCN(C)C(=O)C(C)(C)c1cccnc1 477415430 GFEFUPSTNQDCDI-UHFFFAOYSA-N 274.408 3.564 30 20 CHED CC(C)(C)c1nc(O)cc(/C=C/c2ccc(C#N)cc2)n1 470253895 HCSCALMKHDXJFZ-CMDGGOBGSA-N 279.343 3.522 30 20 CHED C#C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1)C(C)(C)C 808314878 LCXWBWFNIPIRCU-PVAVHDDUSA-N 298.430 3.827 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(CC)c(C)s1 488826377 LCLUSTUDTATBJJ-ZDUSSCGKSA-N 263.406 3.800 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)[C@@H](C#N)CCc1ccccc1 563761940 DVSSCRZRPOOKNT-SJORKVTESA-N 298.430 3.701 30 20 CHED c1cc2c3c(c1)C(=NNC[C@H]1CCSC1)C[C@H]3CCC2 811661426 KXLYUTHLBSOBMN-TZMCWYRMSA-N 286.444 3.557 30 20 CHED CSc1ccc(C=NOCCC(F)(F)F)s1 814910352 SRATZNFOOZCTNF-UHFFFAOYSA-N 269.313 3.773 30 20 CHED CCN(CC)c1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1 815011241 FZBUPZVQXVTAJP-FUHWJXTLSA-N 285.435 3.657 30 20 CHED N#CCCCCOC(=O)c1nc2ccccc2cc1Cl 810583809 IBHILRLYRUSDAX-UHFFFAOYSA-N 288.734 3.739 30 20 CHED CCN(C[C@H](C)C#N)C(=O)Cc1ccc(C(C)(C)C)cc1 480512988 HCGJTVHIPCBSOZ-CQSZACIVSA-N 286.419 3.535 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 480351971 HLEJNAQEFKDCQB-QLFBSQMISA-N 281.440 3.689 30 20 CHED C#C[C@H](N[C@H]1CCC[C@H](CCCC(=O)OC)C1)C(C)(C)C 816612326 MCXQATMWFVQALS-PMPSAXMXSA-N 293.451 3.526 30 20 CHED C=CC[C@@H](C(=O)NCc1ccccc1C)c1ccccc1 487624583 XRPZTOXVEYAQFI-GOSISDBHSA-N 279.383 3.971 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CC[C@@H](C)C2)c1 814820320 YHXVGZBUSJIMJS-SECBINFHSA-N 279.384 3.597 30 20 CHED CCc1noc(-c2ccc(C)c(N[C@H]3CC[C@H](C#N)C3)c2)n1 572346387 JFQXKONFIVQJRB-JSGCOSHPSA-N 296.374 3.712 30 20 CHED Cc1cc(F)ccc1Cc1noc(-c2ccc(C#N)s2)n1 577026734 CDAACYNNDLLRAR-UHFFFAOYSA-N 299.330 3.708 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C 815337381 KNVPIDOEJUCGJH-QWHCGFSZSA-N 273.367 3.919 30 20 CHED CC#CCCCc1nc(-c2cccc(OCCC)c2)no1 579888633 GQPYIHBPWFFWHP-UHFFFAOYSA-N 284.359 3.871 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2oc(CC)nc2c1 488524576 NRFYFMTUOYJVOU-CYBMUJFWSA-N 299.374 3.963 30 20 CHED CCc1ccc2occ(C(=O)N(CCC#N)C(C)C)c2c1 570746838 RNSHYRPCIQCBPX-UHFFFAOYSA-N 284.359 3.759 30 20 CHED Cc1ccc2nc(C(=O)O[C@H](C#N)C(C)(C)C)ccc2c1 816013729 ZRGMSPWZBVDIIX-OAHLLOKOSA-N 282.343 3.638 30 20 CHED Cc1ccc(NC[C@H](C#N)CCC#N)cc1C(F)(F)F 577386497 NSJGFUGCIVBCGF-NSHDSACASA-N 281.281 3.869 30 20 CHED COc1cccc(/C=C2\Oc3c(Cl)cccc3C2=O)c1 729149137 BYNVKGXSXYMAIM-ZROIWOOFSA-N 286.714 3.965 30 20 CHED CC#CCN[C@@H](c1cc(F)cc(Br)c1)C1CC1 481728113 KBXJSVOAVSGVOG-CQSZACIVSA-N 296.183 3.652 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1[C@@H]2CCC[C@@H]12 483174138 JMGKCCGHWHCWPN-IAGOWNOFSA-N 296.414 3.589 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](OCC)C12CCCCC2 574776391 VFMDVZFNGYORAW-HUUCEWRRSA-N 293.451 3.833 30 20 CHED C=CCCCCN[C@H](C(C)C)[C@H](O)c1ccccc1 829634930 OOEYMAHHXMUZLR-IAGOWNOFSA-N 261.409 3.691 30 20 CHED CO[C@H](c1noc(-c2ccc(C#N)c(Cl)c2)n1)C(C)C 571960868 VHYZCBLKZWPNMN-LBPRGKRZSA-N 291.738 3.605 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc3sccc3c2)no1 577976031 VHJGLQGTILHHAS-VFZGTOFNSA-N 281.340 3.752 30 20 CHED Cn1c(Cl)nc(Cl)c1/C=C1\Cc2ccccc2C1=O 726876609 XJFFIVTUSCOVKY-VQHVLOKHSA-N 293.153 3.549 30 20 CHED N#Cc1cc(F)ccc1N1CCC=C(c2ccccc2)C1 571391057 WGSJBBOQXWSCNZ-UHFFFAOYSA-N 278.330 3.991 30 20 CHED C#CCNC(=O)Nc1cccc(CCCc2ccccc2)c1 726848702 YBMBPBFDYNGDFQ-UHFFFAOYSA-N 292.382 3.617 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C(=O)O)ccc1Cl 825660104 SVMZXZYFVHOBJI-UHFFFAOYSA-N 293.750 3.745 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CCO[C@H](CC(C)C)C1 664594982 IJHIHVOUKJRIIL-LSDHHAIUSA-N 296.455 3.624 30 20 CHED Cc1nc(N2CC(C)(C)[C@@H]2c2ccccc2)ccc1C#N 589860734 JZDHSLINRKMZJG-KRWDZBQOSA-N 277.371 3.849 30 20 CHED C[C@@H](NC[C@@]1(C)CC1(Cl)Cl)c1cccc(C#N)c1 828674765 GXZDCEXYOUCORZ-ZWNOBZJWSA-N 283.202 3.793 30 20 CHED CC(C)(C)Oc1ccc(NCC2CCOCC2)cc1C#N 824721837 JXKCUKNOSSSBEM-UHFFFAOYSA-N 288.391 3.574 30 20 CHED C#CCO[C@H](C)C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 827458306 WXDNMDPNAYASTM-CRAIPNDOSA-N 299.414 3.512 30 20 CHED CC[C@@H](NC(=O)C#CC(C)C)C(C)(C)c1ccccc1 828590398 DCJZBFSYTFCUMG-MRXNPFEDSA-N 271.404 3.518 30 20 CHED Cc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1F 731489379 FBZQAUSAKSLYTD-GHXNOFRVSA-N 286.277 3.932 30 20 CHED C#CC(C)(C)NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 490891301 COCQQXPKXKZBJP-HZPDHXFCSA-N 293.451 3.670 30 20 CHED C[C@H]1CC(=NNc2ncc(Cl)cc2Cl)C[C@@H](C)O1 834926214 KXWLMCPNIVARAW-OCAPTIKFSA-N 288.178 3.744 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1c(C)oc2ccccc12 834979443 ITJJGRQCXKXJBI-ZDUSSCGKSA-N 288.416 3.808 30 20 CHED COc1cc(OC(=O)O[C@H](C)CC(C)C)ccc1C#N 831293465 IUVHRBJIFWZGNY-LLVKDONJSA-N 277.320 3.517 30 20 CHED CCCCCCCCC(=O)Nc1cc(CC)nn1C 734781891 HWQCMNSCQFWXTC-UHFFFAOYSA-N 265.401 3.672 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)C1CCCC1 835010231 UIACPCLGPRGETI-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C\c2cncn2C)cc1 901472561 KJYUYBNXPBOHTA-TWGQIWQCSA-N 286.400 3.817 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccc(CC)o2)cc1 834887938 AMGTZRGYSNQAFG-AWEZNQCLSA-N 283.371 3.705 30 20 CHED C=CCCCOC(=O)c1oc2ccc(OC)cc2c1C 735523685 AQOWDTFBKQVRJV-UHFFFAOYSA-N 274.316 3.873 30 20 CHED CSc1ccnc(N[C@H](CCC#N)c2ccccc2)n1 582729069 KIKAYINAAVBLSH-CYBMUJFWSA-N 284.388 3.655 30 20 CHED CCO[C@@H](c1noc(-c2cccc(CC#N)c2)n1)C(C)C 904117514 RJZICAXIDSZKNO-CQSZACIVSA-N 285.347 3.536 30 20 CHED C=C(C)COC(=O)C(C)(C)Oc1cccc(Cl)c1 733012207 QEJCCSHHXRRTAG-UHFFFAOYSA-N 268.740 3.617 30 20 CHED CC(C)(C)[C@@H]1CN(c2cc(C#N)ncn2)c2ccccc21 582943600 DEPISBDEKYKQRP-CQSZACIVSA-N 278.359 3.630 30 20 CHED C=CC[C@H](NC(=O)N[C@@H](C)CC(C)(C)C)c1ccncc1 838477196 OTAVFMUMPULKCD-ZFWWWQNUSA-N 289.423 3.823 30 20 CHED C=CCCCCOC(=O)CSc1ccccc1OC 837607111 GBBUDAGGDIYHLT-UHFFFAOYSA-N 280.389 3.687 30 20 CHED C=CCCCOC(=O)c1cc2cccc(OC)c2o1 735527258 IYTJAZYSEGNQTL-UHFFFAOYSA-N 260.289 3.564 30 20 CHED CCn1nnc(C)c1/C=C1\C(=O)c2ccccc2[C@@H]1C(C)C 834438155 IHLPJDBINKDHIC-MJSCBBHESA-N 295.386 3.626 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1cccc(Cl)c1O 834892559 LZVGTDZESJGPGY-ZNMIVQPWSA-N 295.810 3.820 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3c2OCCCO3)o1 917144001 VFJWPULXOCPILV-FPLPWBNLSA-N 284.311 3.645 30 20 CHED CCCNc1ccc(C#N)cc1NCCC1(OC)CCC1 834594539 ROIMEVMLWLVOEP-UHFFFAOYSA-N 287.407 3.751 30 20 CHED C=C(Cl)CNC(=O)CCCCOc1cc(C)ccc1C 736241756 CXNCOSNJOXDVQT-UHFFFAOYSA-N 295.810 3.721 30 20 CHED CCCCCCCC(=O)N1CCc2ccccc2CC1 734783721 VJZDAZNUUKGECV-UHFFFAOYSA-N 273.420 3.974 30 20 CHED CN(CCC#N)c1ccc(CN2CC3(CCCCC3)C2)cc1 839132850 RVXRTQCEAHINNA-UHFFFAOYSA-N 297.446 3.803 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593963243 ZRGLFHMGEZURBX-ZXFNITATSA-N 298.430 3.678 30 20 CHED C=C(CNC(=O)c1ccccc1OCC)c1ccccc1 673341911 UHUOUJUDLIYRLF-UHFFFAOYSA-N 281.355 3.529 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)N1CCC(CC#N)CC1 591335605 UBTQDMWWOKWEBN-LSDHHAIUSA-N 291.439 3.536 30 20 CHED CCC1(C(=O)OCc2ccc(C#N)cc2C)CCCC1 748905155 FPOFYWSCWXCHFG-UHFFFAOYSA-N 271.360 3.880 30 20 CHED Oc1ccc(/C=N\CCCC2CCCCC2)c(O)c1O 915113560 YVSXWADICVXHBV-BOPFTXTBSA-N 277.364 3.583 30 20 CHED CC(C)[C@@H]1N(c2nc(C#N)c(Cl)s2)CC12CCC2 596237947 KRBSKNZMKJPMFQ-JTQLQIEISA-N 281.812 3.683 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(C#N)c(Cl)c1 598522984 URFFCTIRJJZEPP-UHFFFAOYSA-N 276.767 3.686 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NCC1(C#N)CC1 597122127 WAENMDLUPLNJMZ-CQSZACIVSA-N 262.784 3.554 30 20 CHED C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 741466477 SRXSBSNFVLSHLD-YAFRSCOQSA-N 276.336 3.688 30 20 CHED Cc1ccc(-c2cccc(C[C@H](C#N)CO)c2)cc1C 596635080 CVMCZRGWGIQUER-MRXNPFEDSA-N 265.356 3.645 30 20 CHED C=C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 674955617 FPWABNKNOMWWFT-LBPRGKRZSA-N 282.387 3.741 30 20 CHED CCCCCC[C@H](C)NN=C(C)c1cncc(F)c1 743450876 SIAAJTFTDAFYKU-LBPRGKRZSA-N 265.376 3.893 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)Oc1cc(C)ccc1Cl 917307362 GLWXWCGAJNPSTP-SNVBAGLBSA-N 289.158 3.711 30 20 CHED Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1C1CC1 916245082 SZFZMOXOBPEYPN-UHFFFAOYSA-N 298.346 3.794 30 20 CHED COc1ccc(CNCCCCC(C)(C)C)cc1C#N 742369359 ATFAVKPQLIKUFP-UHFFFAOYSA-N 274.408 3.873 30 20 CHED C#CCN(C(=O)CCOc1cccc(C)c1)C1CCCCC1 743692039 IRSDDEVWZBLFRC-UHFFFAOYSA-N 299.414 3.558 30 20 CHED Oc1ccccc1/C=N\Cc1ccc(Br)s1 914557783 KOHQDNLBBLGSLF-AUWJEWJLSA-N 296.189 3.835 30 20 CHED N#CCCCCOC(=O)c1ccc(Cl)c(Cl)c1 912956753 WLCYHSDSXAPNSZ-UHFFFAOYSA-N 272.131 3.844 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H](C)C2CCC2)c1 677370804 WUGYNNDQJSTTNH-ZDUSSCGKSA-N 288.391 3.952 30 20 CHED Clc1ccc(NN=C/C=C/c2ccccc2)cn1 743449881 CCGVIWIBXCVRLK-ZFENKPHASA-N 257.724 3.846 30 20 CHED C=CCc1cc(OCC)cc(CN2C3CCC2CC3)c1O 919940482 YMIGYKWKOSXJLE-UHFFFAOYSA-N 287.403 3.646 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc(C(C)C)c(Cl)c1 594088724 SUCWVPXYLOWEOW-LBPRGKRZSA-N 278.783 3.838 30 20 CHED COCCOc1cccc(-c2ccc(OCCC#N)cc2)c1 592984361 PHKADXNLHAIVTL-UHFFFAOYSA-N 297.354 3.671 30 20 CHED C=C(Br)COC(=O)/C=C\Sc1ccccc1 918907696 WCAJFXHOTWZPAM-FPLPWBNLSA-N 299.189 3.744 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1nccs1 846753587 VVXNLFSCAZDOFE-CYBMUJFWSA-N 255.346 3.504 30 20 CHED CC[C@H](CNC(=O)C(C#N)(CC)CC)c1ccccc1 598989454 ZBLADXAWMIZDPZ-CQSZACIVSA-N 272.392 3.626 30 20 CHED Cc1ccc(COC(=O)[C@@H](C)Cc2ccc(C#N)cc2)s1 846912782 NWTJDNANWDBNST-LBPRGKRZSA-N 299.395 3.850 30 20 CHED C=CCc1cc(OCC)cc(CN2C[C@H](C)C[C@H]2C)c1O 740861066 UJKNUFABAVTXAE-ZIAGYGMSSA-N 289.419 3.750 30 20 CHED N#CC1(CCOC(=O)CCC2CCOCC2)CCCCC1 840239870 FCDMKZKIMIVXPQ-UHFFFAOYSA-N 293.407 3.601 30 20 CHED C#CCN(CC)C(=O)Nc1ccccc1-c1ccccc1 749225295 HYIVRXKGTQXYLE-UHFFFAOYSA-N 278.355 3.841 30 20 CHED N#CCOc1cc(F)ccc1NC[C@H]1CCCCC1(F)F 849314703 FOSSGBCUXYCJGH-LLVKDONJSA-N 298.308 3.965 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 593544720 JTOUFTMYEBLAQJ-ROUUACIJSA-N 298.430 3.798 30 20 CHED COc1ccccc1C(C)(C)C/N=C\c1cccc(O)c1O 745020971 LAQIZYJOJJBBOO-ODLFYWEKSA-N 299.370 3.503 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 920789012 MZDKNIAPALORJH-HZSPNIEDSA-N 295.386 3.956 30 20 CHED COc1cc(F)cc(NN=Cc2cccc3cccnc23)c1 759209949 KVLMIUMXUIAWDZ-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C=CCCN(C)C(=O)Nc1cc(Cl)cc2cccnc12 682415167 JHNGPQOSFFCPFB-UHFFFAOYSA-N 289.766 3.928 30 20 CHED COc1cc(C(C)=NNc2c(F)cccc2F)ccc1O 757465572 QWOQXCAPISCJNL-UHFFFAOYSA-N 292.285 3.515 30 20 CHED CC#CCCCC(=O)Nc1nc2cc(C)cc(C)c2o1 681002556 MZLKJWBLFQANMC-UHFFFAOYSA-N 270.332 3.577 30 20 CHED C=CCC[C@@H](C)OC(=O)CCc1cccnc1Cl 850116809 YIPDCJXMCHRLHN-LLVKDONJSA-N 267.756 3.566 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)C(=O)OCCCCC#N 756349685 KZRKFBIGIZUKFL-LBPRGKRZSA-N 279.767 3.756 30 20 CHED C#CCCCN[C@H](C)c1ncc(C(F)(F)F)cc1Cl 925161600 KZKDPJXHYWYXAI-SECBINFHSA-N 290.716 3.818 30 20 CHED CCCn1nc(C)c(C=NNc2cc(C)cc(C)c2)c1C 755565185 LWBVKAXEZHATPL-UHFFFAOYSA-N 284.407 3.973 30 20 CHED C=CCC1(O)CCN(C(=O)[C@@](C)(CC)CCCCC)CC1 924434819 NTKZJURUBZUTDQ-KRWDZBQOSA-N 295.467 3.913 30 20 CHED CCCn1nccc1/C=C/C(=O)c1cccc(C)c1C 853005912 MPWACUUAGFZDPT-CMDGGOBGSA-N 268.360 3.806 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC(C)(C)C#N 921887940 MAEUSDYRHNUOHM-GOEBONIOSA-N 299.418 3.514 30 20 CHED N#CC[C@@H]1CCCN([C@@H]2CCc3cc(Cl)ccc32)C1 852319015 FHFKHLISNCDGPN-BLLLJJGKSA-N 274.795 3.953 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1ccccc1O[C@H](C)C#N 857603551 CZUMJFSLTRRAIO-MLGOLLRUSA-N 292.354 3.834 30 20 CHED C#CC[C@H](NC(=O)/C=C/C(=C/C)CC)c1ccccc1 757595101 DOKTWRMDKBIEBN-XXNPWAOTSA-N 267.372 3.780 30 20 CHED CC(C)CON=CC1CCN(Cc2ccccc2)CC1 853322910 IEGAQYSEYGUOAH-UHFFFAOYSA-N 274.408 3.557 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)OCC1(CC#N)CC1 759386230 ICILUEUIEFKLRV-FMIVXFBMSA-N 289.762 3.980 30 20 CHED CCC1(C/N=C/c2cc3ccccc3nc2O)CC1 751890542 NWFWVKURUKRQRM-LICLKQGHSA-N 254.333 3.550 30 20 CHED C#Cc1ccc(NC(=O)NCC2CCC(F)(F)CC2)cc1 934929091 ZAONNSBCWOHYLE-UHFFFAOYSA-N 292.329 3.615 30 20 CHED CCC(Cc1ccc(OC)c(OC)c1)=NOCC(C)C 763370664 SLCORTWCXRANRZ-UHFFFAOYSA-N 279.380 3.685 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CC(C)(C)C[C@H]1C 766030563 VRZIPZNVZBAQML-SNVBAGLBSA-N 290.363 3.617 30 20 CHED N#CC1(CCCCN(CC(F)F)C2CCC2)CCC1 931762396 MZBFHEGRKIYVBI-UHFFFAOYSA-N 270.367 3.970 30 20 CHED CCC[C@H](C=NNc1ccc(C)nn1)c1ccccc1 769586665 RNSJMQPYAIZZDS-OAHLLOKOSA-N 268.364 3.767 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2ccc(Cl)s2)c1 766501372 FWNURBSLWWQWPU-DUXPYHPUSA-N 296.731 3.677 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1sccc1O 769766970 WNWINDREJNZQSR-UHFFFAOYSA-N 266.753 3.943 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(N(C)CCCC)cc1 767087560 WUUMMZKZRZKPNO-UHFFFAOYSA-N 286.419 3.911 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)c1ccc[nH]1)c1ccccc1 760430975 YUFILVADPFZFME-UONOGXRCSA-N 268.360 3.552 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)CCc1cncc2ccccc12 765627768 IUHCDZTVVHAEKS-INIZCTEOSA-N 296.370 3.649 30 20 CHED C[C@@H]1CN(CC(C)(C)CCC#N)Cc2ccccc21 768196639 SWZNNPCKKYTVLW-CQSZACIVSA-N 256.393 3.936 30 20 CHED CCOc1ccccc1C=Nn1c(CC)nc2ccccc21 767358757 DKGVFFKXJRDVIV-UHFFFAOYSA-N 293.370 3.880 30 20 CHED Cc1cc(/C=C2\Cc3c(F)cc(F)cc3C2=O)ccc1C#N 766490428 IUBUJELLUYWVFS-WLRTZDKTSA-N 295.288 3.967 30 20 CHED Fc1cc(Cl)c(NN=Cc2cccnc2)c(Cl)c1 767910930 YLTKICMYXCSAOH-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C[C@H](CCC#N)CNCc1ccc2ccccc2c1 876984997 RSAVODACWZYKPH-CQSZACIVSA-N 252.361 3.869 30 20 CHED CCOc1ccc(NC[C@H](C)CCC#N)c2ncccc12 877380194 WWCORBOBSJLKTP-CYBMUJFWSA-N 283.375 3.985 30 20 CHED C=C(CC)COC(=O)[C@@H]1SCCc2ccccc21 773520003 CSSMUXFPNJSRMQ-CQSZACIVSA-N 262.374 3.526 30 20 CHED C#CCCCCCC(=O)N1CCCC[C@H]1[C@@H](C)CC 779953079 CWEHVBJZEORKAT-HOTGVXAUSA-N 263.425 3.997 30 20 CHED CCn1ccnc1C(C)=NNc1nc2c(C)cccc2s1 872419680 QXNQCZFTKDDSGL-UHFFFAOYSA-N 299.403 3.657 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C)c(NC(C)=O)c1C 878348437 MRZVFVQCZIZZNI-UHFFFAOYSA-N 288.391 3.803 30 20 CHED COc1cc(C(=O)O[C@H](C#N)C2CCCCC2)ccc1C 776366726 RXVHKOYITHTSHF-MRXNPFEDSA-N 287.359 3.633 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)O[C@@H](C#N)C2CCCCC2)C1 776390813 ZFEIUGUEKXPZOX-YUELXQCFSA-N 263.381 3.828 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cc(F)ccc1Cl 875680429 VZLFYUMFUHONFR-UHFFFAOYSA-N 269.703 3.714 30 20 CHED CCCCCCCCCC=NN1CCCNC1=O 777896896 FPIXWTTYOXWQDA-UHFFFAOYSA-N 253.390 3.528 30 20 CHED C[C@@H](NC(=O)c1cccc(C#N)c1)C1CCCCCC1 1435845369 AIHUIZHBSVCBDA-CYBMUJFWSA-N 270.376 3.647 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SC/C=C/Cl 777567001 OPKYEFLHPBOGKG-DAFODLJHSA-N 278.686 3.817 30 20 CHED C[C@H](CCC#N)CNc1ccc2c(c1)CC(C)(C)O2 877160423 LMYKQEVAGBQRMF-GFCCVEGCSA-N 258.365 3.752 30 20 CHED C#C[C@H](C)NC(=O)C1(C2CCCCC2)CCCCC1 775387540 BRTCEWCRAVEJGT-AWEZNQCLSA-N 261.409 3.655 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(CC(C)C)cc2)cnn1C 778516926 BECWPGQJKAJTGT-MDZDMXLPSA-N 282.387 3.823 30 20 CHED C1CC[C@@H]2CCC(=NOC3CCOCC3)C[C@@H]2C1 774458572 NDJANJDKZYBWFL-OLZOCXBDSA-N 251.370 3.528 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CCO[C@H]1C 770694795 SOYRRCXWCUSTOV-GJZGRUSLSA-N 269.429 3.620 30 20 CHED C=CCN(C(=O)c1ccccc1OC(F)(F)F)C(C)C 775481084 OPIPAUKEMXLGLZ-UHFFFAOYSA-N 287.281 3.622 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)c1ccccc1C(C)(C)C 1123336641 JXKUWWDXAHWDOK-AWEZNQCLSA-N 295.386 3.691 30 20 CHED C=CCN(C(=O)Nc1ccccc1-c1ncco1)C1CC1 889019128 WICNMNVTZHUMDB-UHFFFAOYSA-N 283.331 3.524 30 20 CHED C[C@@H]1CCc2c(C(=O)OCCC(C)(C)C#N)csc2C1 776356807 YIPXLKMREMUKBO-LLVKDONJSA-N 291.416 3.970 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(F)cc(C(C)=O)cc1F 889728121 FLFGXGCLHRZNMH-UHFFFAOYSA-N 281.302 3.708 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1ccnc(Cl)c1 779461122 VYURATKXJVSGLP-RJRFIUFISA-N 279.673 3.909 30 20 CHED N#CC1(COC(=O)c2cc3ccc(F)cc3s2)CC1 775839370 ORGKRWYQYQVVIY-UHFFFAOYSA-N 275.304 3.501 30 20 CHED N#CC[C@H](OC(=O)C1CCC(F)(F)CC1)c1ccco1 1123462997 PLOGZHMPFPSJDF-LBPRGKRZSA-N 283.274 3.603 30 20 CHED CC(C)(C)CC(=NN[C@H]1CCOC(C)(C)C1)C1CC1 787161435 ABWLWKNIFRRWEZ-ZDUSSCGKSA-N 266.429 3.736 30 20 CHED CC(C)(CC#N)COC(=O)c1cc(-c2ccccc2)ccn1 1122926134 AGXCOKOTJRYCQS-UHFFFAOYSA-N 294.354 3.845 30 20 CHED C#CCC1(C(=O)NC[C@H](SC)C(C)(C)C)CCCCC1 788242383 CXHIHXJJYGTPEV-AWEZNQCLSA-N 295.492 3.854 30 20 CHED CCCCCCCCCNC(=O)C1(SC)CC1 788702753 WSDWUNOLYQNIJP-UHFFFAOYSA-N 257.443 3.749 30 20 CHED Clc1ccsc1C=NNCCCOc1ccccc1 782229857 GOOTVRAFVJTNKG-UHFFFAOYSA-N 294.807 3.794 30 20 CHED CSc1ccc(C(=O)OCCCC(C)(C)C#N)cc1 782483127 PZNMMEAYNPAEBG-UHFFFAOYSA-N 277.389 3.895 30 20 CHED C=CCCCCCN[C@H](C)C1CCN(C(=O)OCC)CC1 785808197 JOTPZDGDQMCBDD-OAHLLOKOSA-N 296.455 3.579 30 20 CHED COc1nc2ccccc2cc1/C=C/C(=O)c1cncs1 787167782 DZDYJLOMQHABEX-VOTSOKGWSA-N 296.351 3.596 30 20 CHED C=CCCS(=O)(=O)Nc1cc(Cl)c(C)cc1Cl 133579974 OVKQSIZUJXYTDW-UHFFFAOYSA-N 294.203 3.620 30 20 CHED CC(Cc1ccc(-c2ccccc2)cc1)=NN[C@@H]1CCOC1 788448918 UQOKUUNEAAVSCW-LJQANCHMSA-N 294.398 3.651 30 20 CHED C=CCC(C)(C)C(=O)NCCC1CCC(F)(F)CC1 890056543 AWJKGTKWBBHFAW-UHFFFAOYSA-N 273.367 3.921 30 20 CHED Cc1cc(Br)c(CN2CCC[C@H](C#N)C2)s1 896507155 YRPHBELSFCVBOX-SNVBAGLBSA-N 299.237 3.555 30 20 CHED CCS[C@H](C(=O)OCc1cc(F)ccc1C#N)C(C)C 785826101 QSWXDXVWMPSUEG-AWEZNQCLSA-N 295.379 3.518 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(SC(C)(C)C)cc1 789838117 NZBYSPRWLKKUHZ-NSHDSACASA-N 276.405 3.720 30 20 CHED C/C(C=NNC1CCCC1)=C/c1cccc([N+](=O)[O-])c1 787155897 VBPWMNHOLCAXPQ-UMXABQDKSA-N 273.336 3.516 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)c(Cl)c1 893195425 YPXNROAOJSYFQA-DOMZBBRYSA-N 276.767 3.581 30 20 CHED C=C1CCC(C(=O)OC[C@H](C#N)Cc2cccs2)CC1 892907189 IZQVQPVHVQEQNC-ZDUSSCGKSA-N 289.400 3.720 30 20 CHED N#Cc1ccc(N2CCOC3(CCCCC3)C2)cc1Cl 301451941 LTLLHMVPCZRNEB-UHFFFAOYSA-N 290.794 3.751 30 20 CHED CC[C@@H](C)NN=C1CC(c2ccc(Cl)cc2)C1 790187703 GUOVVQRUAIQJCT-RWANSRKNSA-N 250.773 3.962 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccnc(F)c1 794720384 QLPNBTQUTCARBT-HYXAFXHYSA-N 259.255 3.564 30 20 CHED Cc1cc(C#N)nc(N2CCC[C@H]2c2ccccc2)c1 891661780 WCUPPVMBRGSLGG-INIZCTEOSA-N 263.344 3.603 30 20 CHED CC(=NNc1ncccc1C)c1cc(C)ccc1C 790191484 VJYAOMKETFTXGQ-UHFFFAOYSA-N 253.349 3.843 30 20 CHED C#CC[C@@H](NC(=O)N(C)[C@H]1CCC(C)(C)C1)c1ccccc1 793129608 PFVKEYAJROYANJ-DLBZAZTESA-N 298.430 3.971 30 20 CHED CCCCc1cc(NC(=O)Nc2cc(C)cc(C#N)c2)n[nH]1 1206306282 WWQHNAVJMSVGGM-UHFFFAOYSA-N 297.362 3.576 30 20 CHED CC(=NNc1cccc2ccccc12)c1ccnc(O)c1 790295639 LWALBUIDKWVJJH-UHFFFAOYSA-N 277.327 3.777 30 20 CHED CC1(c2ccccc2)CC(=NNCCC(F)(F)F)C1 794550207 BNSSJJCAMJKSKZ-UHFFFAOYSA-N 270.298 3.636 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 191872076 BYIXGWJMIZAKHU-UHFFFAOYSA-N 268.335 3.719 30 20 CHED CC1(C)CN(CC#Cc2ccccc2)[C@H]2CCC[C@@H]21 559432830 XSXSOURZYZYIAG-IRXDYDNUSA-N 253.389 3.549 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 796871230 DXJSDEBNWNIGOZ-IXYNUQLISA-N 263.381 3.828 30 20 CHED CC(C)c1nccnc1NN=CCc1cccc(Cl)c1 794939788 MWJHGIKMSQQMMA-UHFFFAOYSA-N 288.782 3.894 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(OC3CCC3)c(F)c2)C1 799725201 WCWDQCQUYDNYOA-NWDGAFQWSA-N 274.339 3.861 30 20 CHED CSc1ccc(C=NNCc2ccccc2N(C)C)cc1 794951553 GLGBQJWCOVHVSE-UHFFFAOYSA-N 299.443 3.598 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(C)c(C#N)c1)[C@@H](C)CC 799363516 HFHJJQAUFUGZLL-KBPBESRZSA-N 272.392 3.906 30 20 CHED Cc1cc(C)cc(NN=Cc2ccnn2C(C)C)c1 794480765 MWPGNIWHHUWRNJ-UHFFFAOYSA-N 256.353 3.527 30 20 CHED CCCCO[C@H]1CC(=NNc2ncccc2C)C1(C)C 790187068 SDRQDEVJDZPACK-AWEZNQCLSA-N 275.396 3.773 30 20 CHED N#Cc1cc(NCCOC2CCC2)ccc1C(F)(F)F 690988232 UOHGFTIWMPZRCI-UHFFFAOYSA-N 284.281 3.558 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2nc(C(C)C)no2)CCC1 791564291 GJJYQGPPCQUZMN-NSHDSACASA-N 278.352 3.544 30 20 CHED Cc1ccc(C(=O)N2CCc3c(Cl)cccc32)cc1C#N 799348497 FHUKUXQAXIVVQC-UHFFFAOYSA-N 296.757 3.723 30 20 CHED COC(=O)c1csc(C(=O)/C=C/c2ccc(C)s2)c1 794723516 HFIUZVATKFKMKI-AATRIKPKSA-N 292.381 3.801 30 20 CHED COC1CCC(=NNc2ncnc(Cl)c2C(C)C)CC1 797404713 SQDSLCXKBUTCKG-UHFFFAOYSA-N 296.802 3.610 30 20 CHED CCCCCCCCCC(=O)N1C[C@H](C)[C@](C)(CO)C1 694709538 AOYADRPYWDQOIM-RDJZCZTQSA-N 283.456 3.604 30 20 CHED C[C@H]1CN(CCC2(C#N)CCCCC2)CC2(CCCC2)O1 1307899882 NPFQNSSEXXWBIR-INIZCTEOSA-N 290.451 3.884 30 20 CHED CCNc1ccc(C#N)cc1NCc1cccnc1Cl 1319971436 WNOAEPIINFAWNB-UHFFFAOYSA-N 286.766 3.651 30 20 CHED C=CCCC(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1318322616 VSHRSSKROCPKGR-KKUMJFAQSA-N 251.414 3.777 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cc(Cl)ccc1F 1319307349 CWTZSJRLGZDWOX-UHFFFAOYSA-N 287.721 3.859 30 20 CHED COc1cc(O)ccc1/C=C1\CCCC(C)(C)C1=O 1319081385 HHJFBLBAYFBGSF-FMIVXFBMSA-N 260.333 3.563 30 20 CHED C#CCN(CC1CC1)C(=O)CCCCCc1cccs1 1319551413 HOJYYLBJJQXXQA-UHFFFAOYSA-N 289.444 3.723 30 20 CHED COc1cccc(NN=C(C)c2ccccc2SC)n1 1322615499 WDCPBDPZFKPSJW-UHFFFAOYSA-N 287.388 3.648 30 20 CHED Cc1cccn2cc(CSCc3ccccc3C#N)nc12 1323668360 RICIFGGCLMJAAA-UHFFFAOYSA-N 293.395 3.948 30 20 CHED N#Cc1ccccc1OCc1nnc(CCC2CCCC2)o1 1322342159 ZVPHUYUNCMKUPC-UHFFFAOYSA-N 297.358 3.643 30 20 CHED CC1(C)CC[C@H](c2nnc(-c3cccc(C#N)c3)o2)C1 1329270734 OYDYDVMEJGEMEF-ZDUSSCGKSA-N 267.332 3.902 30 20 CHED CCN(CC)c1ccc(/C=C/c2cc(C#N)ccn2)cc1 1327207099 YWIUTUVOKRJPGK-VMPITWQZSA-N 277.371 3.970 30 20 CHED CC(C)[C@H](C#N)C=NNc1c(F)cccc1Cl 1320330828 MZILPZRFYDLKGH-SECBINFHSA-N 253.708 3.673 30 20 CHED N#Cc1ccc(CCN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 1182854610 JTOMVHUKKJFMDT-ZSXDVEMLSA-N 280.415 3.515 30 20 CHED C#CCCCCC(=O)Oc1ccc(C)c2c1C(=O)C[C@@H]2C 1338358454 LGEWWEYGVUQRLH-ZDUSSCGKSA-N 284.355 3.784 30 20 CHED Cc1cccc2c(C(=O)O[C@@H]3CC[C@H](C#N)C3)coc12 1344672478 QCZNPZQDTBCSOI-NWDGAFQWSA-N 269.300 3.590 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)c1cscn1)c1cccs1 1346401115 MJXDUHSUZCSFGA-JOYOIKCWSA-N 292.385 3.652 30 20 CHED C=CC(C)(C)C(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 1262821849 COQWJELDYNCSHB-AWEZNQCLSA-N 289.423 3.682 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cn(C)nc1C(C)C 1346488586 GXIZRCSSEDTPOV-CYBMUJFWSA-N 290.411 3.506 30 20 CHED Cc1ccc(F)c(COC(=O)CCc2ccc(C#N)cc2)c1 1272767496 VQMNWPLPPPDVDN-UHFFFAOYSA-N 297.329 3.682 30 20 CHED C=C(Cl)Cn1c(CC(C)C)nnc1N(C)C[C@H](C)CC 1359152211 PGMZPTWAIAZFMY-GFCCVEGCSA-N 298.862 3.711 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1ccc2c(c1)CCO2 1353905292 PGBNOSCUDGGBTO-KRWDZBQOSA-N 299.414 3.511 30 20 CHED C=CCOc1cccc(NC(=O)c2ccnn2[C@H](C)CC)c1 1527347218 IZHRREPNCMCQLR-CYBMUJFWSA-N 299.374 3.671 30 20 CHED C=CCCCCCOc1cc(Cl)ccc1-c1nn[nH]n1 1602838445 XRTABMPFJJGRKB-UHFFFAOYSA-N 292.770 3.645 30 20 CHED N#Cc1cccc(C#N)c1N1CC[C@@H](C2CCCCC2)C1 1612580562 JWBVGIOTLJKYAQ-QGZVFWFLSA-N 279.387 3.837 30 20 CHED CC(C)C1CCC(CNC(=O)c2ccc(C#N)s2)CC1 1534738069 GNOHYNRXGVJUPK-UHFFFAOYSA-N 290.432 3.812 30 20 CHED C=C(Cl)CNC(=O)NCC1CCC(C(C)C)CC1 1478168347 DJLPXFAAZUDILK-UHFFFAOYSA-N 272.820 3.501 30 20 CHED N#Cc1ccsc1C(=O)Nc1cccc(-c2ccon2)c1 1611172644 PTQMFXRFIMKSHA-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1nc(N[C@H](C)c2cc(F)ccc2N(C)C)ccc1C#N 1613088452 WGUVUQOAIRPTJT-GFCCVEGCSA-N 298.365 3.640 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CC[C@H](C)[C@@H]1C 1705753419 ZZRIIGQVRFJMET-JQWIXIFHSA-N 294.830 3.533 30 20 CHED COc1cccc(Cl)c1CNc1ccc(C#N)cc1F 228746667 AVHFCSNBOMIWPJ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCC1(CNC(=O)NCC(C)(C)CC#N)CCCCC1 1634029285 AELISHGCVDMWSL-UHFFFAOYSA-N 279.428 3.586 30 20 CHED Cc1cc(C)c2nc(N(C)CC(C)(C)C#N)sc2c1 1639953341 VHLGTGSEUZIJOI-UHFFFAOYSA-N 273.405 3.899 30 20 CHED CC1(C)CN(Cc2cccc(F)c2C#N)Cc2ccccc21 1560644605 DDCJRSQIMWGFTE-UHFFFAOYSA-N 294.373 3.991 30 20 CHED C=C(CNCc1ccccc1NC)c1ccccc1 1649118144 YRHDOIZKXDMSKB-UHFFFAOYSA-N 252.361 3.531 30 20 CHED N#Cc1cc(Cl)nc(N2CC[C@@H](c3ccccc3)C2)c1 122756912 WFIMUSXUMJXPTB-CQSZACIVSA-N 283.762 3.601 30 20 CHED CCCc1ccc(C(=O)NCCc2ccc(C#N)cc2)s1 1587240234 VTRKDQNOBQOUEW-UHFFFAOYSA-N 298.411 3.545 30 20 CHED CCC(CC1CCCCC1)=NNc1ccc(C(=O)O)nc1 1776071821 VAHATQKYVHZDPH-UHFFFAOYSA-N 289.379 3.928 30 20 CHED C=C(Cl)CN[C@H](C)c1nc2ccccc2s1 161754975 DULCVYBFVDAUFE-SECBINFHSA-N 252.770 3.699 30 20 CHED C=CCCNC(=O)c1ccc(SC(F)(F)F)cc1 162212807 FVZIASFFMPDWTR-UHFFFAOYSA-N 275.295 3.604 30 20 CHED C=CCC[C@H](NC(=O)NCCCSC)c1ccccc1 158673712 WFYWRSMSOKMWFH-HNNXBMFYSA-N 292.448 3.746 30 20 CHED CCCCCCCCNC(=O)OCC(F)(F)F 160681380 TWJYTAGFXQPOIA-UHFFFAOYSA-N 255.280 3.635 30 20 CHED C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC#N 152302865 CSTWSVHLHJMPTH-SNVBAGLBSA-N 275.739 3.511 30 20 CHED CC(C)(C)c1cc(NC(=O)c2ccoc2)c(C#N)s1 154276668 CRHGSTHHIOYCBC-UHFFFAOYSA-N 274.345 3.763 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 159479450 HHKGOASRKJTOMX-UHFFFAOYSA-N 288.347 3.919 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccccc2CC#N)C1 104725292 BCLORSGYSSGBIN-HNAYVOBHSA-N 296.414 3.793 30 20 CHED N#Cc1sc(N2CC[C@H]2c2ccc(F)cc2)nc1Cl 1186973798 PTVKSNXWSBSWFC-JTQLQIEISA-N 293.754 3.759 30 20 CHED Cc1cc(C)cc(CN(C)Cc2cccc(C#N)c2)c1 46856581 PQFQMSJFWVVQIS-UHFFFAOYSA-N 264.372 3.807 30 20 CHED CCc1sc(C(=O)Nc2ccc(F)cc2C#N)cc1C 177566703 QBTRPLHUVLYATJ-UHFFFAOYSA-N 288.347 3.882 30 20 CHED C=C[C@H](Sc1ccc(Cl)c(Cl)c1)C(=O)OC 300963142 GLRHPNSPKIRTFF-JTQLQIEISA-N 277.172 3.813 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CC1(C)CC1 347882517 XERPDXOBLJCKCQ-UHFFFAOYSA-N 257.377 3.782 30 20 CHED CC(C)(C)c1noc(CNc2ccc(Cl)c(C#N)c2)n1 193454965 CTGPJRFXIZSHNI-UHFFFAOYSA-N 290.754 3.504 30 20 CHED N#Cc1ccc(NC(=O)c2cc(F)ccc2Cl)cc1F 307964819 QBIUXUMYSYMMLW-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCc1nc(C#N)cc(Oc2ccc(Cl)c(CC)c2)n1 308280598 TXLWNTBZDPYFJZ-UHFFFAOYSA-N 287.750 3.919 30 20 CHED CC1(C)C(Nc2ncc(Br)cc2C#N)C1(C)C 310404345 VGVVBKPRBNSKBK-UHFFFAOYSA-N 294.196 3.562 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](Nc1cccc(C#N)n1)C2 346401877 NBRUPYXOUUAXNY-GHJWDPDVSA-N 255.365 3.580 30 20 CHED C=CCC[C@@H](CO)N[C@H]1CCSc2ccc(Cl)cc21 320335395 BVVUNUNAZLILAM-JSGCOSHPSA-N 297.851 3.794 30 20 CHED C=CCCN(C)Cc1ccc(Br)c(F)c1 555015249 ADHXSFJLLTWGPH-UHFFFAOYSA-N 272.161 3.596 30 20 CHED Cc1nsc(NC2CC(c3ccccc3)C2)c1C#N 342085413 KRBNCTSPPIAPST-UHFFFAOYSA-N 269.373 3.681 30 20 CHED C=CCCCCCN1CC(c2nc3ccccc3[nH]2)C1 683784518 HDCJDBCJUQZSAM-UHFFFAOYSA-N 269.392 3.709 30 20 CHED C[C@@H](C#N)OCCNc1ccc(SC(F)(F)F)cc1 690219013 CXGUBFHALGTWLH-VIFPVBQESA-N 290.310 3.639 30 20 CHED C=CCCCCNCc1cc(Cl)c2c(c1)OCCO2 388875716 GJMFJCOBBJFGLS-UHFFFAOYSA-N 281.783 3.557 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(O)ccc1C 816913739 RPZIYXLABCZGQM-UHFFFAOYSA-N 281.355 3.529 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2c2ccco2)c1Cl 335737633 YWOYYPBEYAFXOE-NSHDSACASA-N 273.723 3.541 30 20 CHED Cc1cccc(OCCN(C)Cc2cc(C#N)ccc2F)c1 53906617 ZQUKJCOOJODBDQ-UHFFFAOYSA-N 298.361 3.517 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc(F)c(F)c3)no2)c1 109537422 OPLOBQMRAPEEAF-UHFFFAOYSA-N 283.237 3.553 30 20 CHED C=CCCCC(=O)Nc1ccc(OC)c2ncccc12 177760733 UXCDOXOAFUDAOH-UHFFFAOYSA-N 270.332 3.538 30 20 CHED CC[C@@H]1CCCN(C(C)(C)CNCC(C)(C)CCC#N)C1 174376232 NBWDWAYAEXYQFV-MRXNPFEDSA-N 293.499 3.807 30 20 CHED C=CCN(CCc1ccccc1)CCc1csc(C)n1 119597417 TYHKRHMPRHWARX-UHFFFAOYSA-N 286.444 3.725 30 20 CHED C[C@H](OC(=O)CCCc1ccccn1)c1ccc(C#N)cc1 175772846 AZWZILYPCIISMU-AWEZNQCLSA-N 294.354 3.580 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1CCCC#N 69679653 XJZCJMUUFRJVTN-IRXDYDNUSA-N 256.393 3.948 30 20 CHED CCS[C@H](C(=O)Nc1cccc(C#N)c1C)C(C)C 178627954 OHFPMXWSFDOYEA-AWEZNQCLSA-N 276.405 3.583 30 20 CHED N#Cc1ccc(N2CCC[C@H]2CC2CCCCC2)nc1 301090175 HLWBPICMDWDQQW-INIZCTEOSA-N 269.392 3.892 30 20 CHED C[C@@H](C#N)CNc1ccc2cc(Br)ccc2n1 302037576 GFUGVHVHGROFOF-VIFPVBQESA-N 290.164 3.569 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cccc(Cl)c2Cl)C1 179922969 VJLBDHZBISDWHK-BDAKNGLRSA-N 284.142 3.842 30 20 CHED CC(C)[C@@H](CNc1c(C#N)cccc1C#N)c1cccnc1 302890730 PKZYMBIHQFSPMJ-QGZVFWFLSA-N 290.370 3.677 30 20 CHED CCC[C@H](Nc1ccc(C#N)nn1)c1ccc(F)cc1F 301915028 DDDCVXTYGJANBL-AWEZNQCLSA-N 288.301 3.580 30 20 CHED C=CCOc1ccc(C(=O)OCc2ccccc2)cc1 117751151 QPZMKSNAKXXNBF-UHFFFAOYSA-N 268.312 3.608 30 20 CHED N#Cc1cccc(C#N)c1Oc1cnc2ccccc2c1 302908976 YIWUZNLWEHJIMW-UHFFFAOYSA-N 271.279 3.770 30 20 CHED N#Cc1cnc2ccccc2c1NCCC[C@@H]1CCCCO1 302124833 ABCPIZBUVJBDMC-HNNXBMFYSA-N 295.386 3.868 30 20 CHED Cc1sccc1C(=O)Nc1ccc(Cl)cc1C#N 1437647025 SPJCRGPTCIGGAE-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(C)nc1)c1ccccc1 179383765 LETNFRAIADICDI-AWEZNQCLSA-N 266.344 3.688 30 20 CHED COCc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 175761715 SDPDZRXPBHGSFU-ZDUSSCGKSA-N 295.338 3.623 30 20 CHED Cc1cccc(C2(C(=O)N(C)C[C@@H](C)C#N)CCCCC2)c1 65880550 AWDOZRGTJBZCMU-INIZCTEOSA-N 298.430 3.815 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc(Cl)c(C#N)n1 301597701 XCBMKDJHYFMNKR-JTNHKYCSSA-N 275.783 3.764 30 20 CHED N#Cc1ccc(Cl)cc1NCC1(CCO)CCCCC1 301540121 BWQUVLFFFGDGJP-UHFFFAOYSA-N 292.810 3.956 30 20 CHED CC(C)(C#N)CCN(CC1CCC1)CC(F)(F)F 119716197 IRXDRNSSNITEPQ-UHFFFAOYSA-N 262.319 3.591 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(F)cccc1F 125716364 HMRMWQNSCFEFGL-UHFFFAOYSA-N 251.276 3.672 30 20 CHED Cc1cc(F)ccc1CCNc1c(C#N)cccc1C#N 302883680 LDLJLNUIZOHUGK-UHFFFAOYSA-N 279.318 3.532 30 20 CHED CC(C)(C)CCCC(=O)Nc1ccc(F)cc1OCC#N 120669472 XSZCPVMPKLEYPY-UHFFFAOYSA-N 292.354 3.883 30 20 CHED C=C[C@@H](CC(=O)N1CCCC[C@H](C)C1)c1ccccc1 184380457 ZLVZHKVJMVGHHZ-HOTGVXAUSA-N 271.404 3.995 30 20 CHED C=CCCC[C@@H](C)NC(=O)/C=C/SCc1ccco1 182640342 WSXDAPATSOLTNJ-YGNAEDSMSA-N 279.405 3.888 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCCOCC1 180181407 KWTKUDKWZRSYRC-OAHLLOKOSA-N 269.429 3.812 30 20 CHED C=CCCC(=O)Nc1cc(F)ccc1NC(C)C 74254348 QDZDAIAIRWTLBF-UHFFFAOYSA-N 250.317 3.551 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)[C@H](C)CC 183551360 HHLNFTSZIBZNKB-HUUCEWRRSA-N 284.403 3.755 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](c1ccccc1)C1CC1 72484891 KMBPJCZBTGFXCS-INIZCTEOSA-N 272.392 3.745 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCSc2ccc(F)cc21 180340075 YLBQBYOQNOVAMZ-ZDUSSCGKSA-N 294.395 3.580 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(OC2CCC2)cc1 73850267 KJGPIMZUPPPTEX-UHFFFAOYSA-N 292.338 3.742 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(OCC#N)cc2)cc1 213641049 MIBDSAHWIQWJIP-WDZFZDKYSA-N 277.323 3.794 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@H](C#N)c1ccccc1F 410638501 DNVNLNJEHZESCY-IUODEOHRSA-N 276.355 3.579 30 20 CHED C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 70981916 IIXNFXFJZLJLLS-INIZCTEOSA-N 293.414 3.887 30 20 CHED CC(C)(C)c1cccc(NC(=O)c2ccc(C#N)cc2)c1O 185827525 JVFVRIYZJCJDSK-UHFFFAOYSA-N 294.354 3.814 30 20 CHED Cc1ccccc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 77380205 WGGMLFMEGQDSOZ-UHFFFAOYSA-N 281.359 3.676 30 20 CHED C[C@H]1CN(CCCCC#N)c2cc(Cl)ccc2O1 76005624 SQBYRYJTZUMNKB-NSHDSACASA-N 264.756 3.621 30 20 CHED C=CCC1(C(=O)N[C@H]2COCc3ccccc32)CCCCC1 416077861 JKYGMFHAGVCQNL-KRWDZBQOSA-N 299.414 3.901 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1cnc(Cl)s1 78687715 PICQJQPDKZCVEK-UHFFFAOYSA-N 294.782 3.571 30 20 CHED N#Cc1ccccc1OCc1ncc(Cl)cc1Cl 183118834 CTXQSXLLTBYCCW-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CN(Cc1ccc(C#N)cc1Br)CC1CCC1 181107265 UZOYUXAJUZOZET-UHFFFAOYSA-N 293.208 3.553 30 20 CHED Cc1cccc([C@H](C)C(=O)N2CCc3cc(C#N)ccc32)c1 416015345 QETOYLNLXVNLAY-AWEZNQCLSA-N 290.366 3.560 30 20 CHED CC(C)[C@H](C(=O)NCc1cccc(C#N)c1)c1ccccc1 79484317 YOPWWPADQGJGHE-SFHVURJKSA-N 292.382 3.614 30 20 CHED N#CCCCSc1ccc(Br)cc1 36961369 ODWVSKDYSDNMIP-UHFFFAOYSA-N 256.168 3.845 30 20 CHED CCC(C)(C)C1CCC(CC(=O)N[C@H](C)C#N)CC1 509288487 VJFJAGIHFMEQEG-IYXRBSQSSA-N 264.413 3.647 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C)C1 413810902 AKNIWMNBTNYBDI-NVXWUHKLSA-N 286.419 3.615 30 20 CHED C=CCN(Cc1ccccc1)C(=O)COc1ccc(C)cc1 71873650 LJADQKCDRATYGG-UHFFFAOYSA-N 295.382 3.589 30 20 CHED CN(CCc1ccncc1)Cc1ccccc1C(C)(C)C#N 181481197 ZEBBJKUOAWEJJU-UHFFFAOYSA-N 293.414 3.557 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(OC)nc1C)c1ccccc1 129384083 SKABIFDLACESMT-AWEZNQCLSA-N 296.370 3.697 30 20 CHED C=CCSCC(=O)Nc1c(C)cc(C)cc1Cl 71530536 OLIFMSOJBAZLJP-UHFFFAOYSA-N 269.797 3.815 30 20 CHED Cc1noc(C2CC2)c1NC(=O)Nc1cccc(C#N)c1C 186718732 VCBFVBNMMOJEPM-UHFFFAOYSA-N 296.330 3.685 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)C1 78267224 HWFXARSDZZQDLL-OLZOCXBDSA-N 264.369 3.783 30 20 CHED C=CCC1(CNC(=O)N[C@@H](C)c2nccs2)CCCC1 413622780 ZOOXDFLLKFJTQO-LBPRGKRZSA-N 293.436 3.640 30 20 CHED COc1cccc([C@H](C)CC(=O)Nc2ccccc2C#N)c1 74625752 HDOUQOQLBIGCKF-CYBMUJFWSA-N 294.354 3.699 30 20 CHED C=CCCC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 134172265 NHWFVWOOZLQQPB-AWEZNQCLSA-N 259.393 3.823 30 20 CHED CCCc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 70158635 JHZIPUHCTWUQJF-UHFFFAOYSA-N 278.355 3.692 30 20 CHED Cc1cc2occ(C(=O)N(CC#N)C3CCCC3)c2cc1C 185983786 JPHKWMIHBVMJNT-UHFFFAOYSA-N 296.370 3.958 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cccc3ncccc23)CCC1=O 328930897 ZINZZGJIRVOKIX-VXGBXAGGSA-N 282.343 3.828 30 20 CHED C=C(Br)COc1ccc(Cl)cc1C(C)=O 48552728 XFQHMHVRWACLIQ-UHFFFAOYSA-N 289.556 3.830 30 20 CHED Cc1cc(C#N)ccc1-c1nc([C@@H]2Cc3ccccc32)no1 320157753 WWJHLCKYLFLNLR-MRXNPFEDSA-N 287.322 3.605 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H]2CC=CCC2)cc1 81324158 ASYIZZKPPAROAH-CYBMUJFWSA-N 258.317 3.513 30 20 CHED COCCC1(C(O)=Nc2cnc3c(c2)CCCC3)CCC1 329491343 ZFJKWSXKCCVZQB-UHFFFAOYSA-N 288.391 3.755 30 20 CHED OC(C[C@H]1CCOC1)=Nc1nc2cc(Cl)ccc2s1 329812138 CZCHMVXISRZMFV-MRVPVSSYSA-N 296.779 3.964 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCCc1ccc(OC)cc1 190947158 OINKIKZVQGGOBB-GOSISDBHSA-N 289.419 3.689 30 20 CHED N#CCCCSCc1cc(Cl)c2c(c1)OCCO2 190884916 BZEKCCOYOVMZAK-UHFFFAOYSA-N 283.780 3.648 30 20 CHED C=CC[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 426573547 NHLYZTZQBNATHI-ZOBUZTSGSA-N 271.404 3.851 30 20 CHED Cc1ccc(SCCN[C@@H]2CCC[C@@H](C#N)C2)cc1 192616698 UCMGIIPMCPUHNP-HUUCEWRRSA-N 274.433 3.759 30 20 CHED CC(C)C1CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 80588611 LJNOIZSPMCOHAL-CQSZACIVSA-N 299.418 3.697 30 20 CHED Cc1cccc(C2(C(=O)N[C@@H]3CC[C@H](C#N)C3)CCCC2)c1 424975230 HFSGZWFRQBDROX-DOTOQJQBSA-N 296.414 3.615 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCC2CCCCC2)c1 80877945 PIROKYATWLLWLN-ZWKOTPCHSA-N 296.414 3.748 30 20 CHED C=CCSCCNC(=O)N[C@H](C)c1ccc(Cl)cc1 194560839 SAARGLXWGRQYFS-LLVKDONJSA-N 298.839 3.619 30 20 CHED CO[C@@H](C)CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 195341466 GCTMQAPMZRWXPR-ZDUSSCGKSA-N 295.338 3.556 30 20 CHED CCCn1c(C(=O)O[C@@H](C#N)C2CC2)cc2ccccc21 191579303 JECPUIBEPXMCCR-INIZCTEOSA-N 282.343 3.510 30 20 CHED O=C1/C(=C\c2cccc(F)c2)COc2c(F)cc(F)cc21 195651269 IBLAXEQDBMQVRU-WMZJFQQLSA-N 290.240 3.763 30 20 CHED Cc1cccnc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 336455513 JFLNHCHDKOASRC-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CCN(C[C@@H](C)C#N)c1nc(C2CCCCC2)ns1 420596137 HBUTTWICFSAAGV-NSHDSACASA-N 278.425 3.572 30 20 CHED CC[C@@H](C)CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 510331590 LOFBGQWGCYJSJA-RISCZKNCSA-N 278.783 3.847 30 20 CHED C=CCCO[C@@H](C)C(=O)N(c1ccccc1C)C(C)C 517168609 GIPKSFXUBSJFSK-HNNXBMFYSA-N 275.392 3.718 30 20 CHED CCC[C@@H](C)CC(=O)Nc1cc(C#N)cn1C(C)(C)C 518125239 JSJDIGGLRJKKQD-GFCCVEGCSA-N 275.396 3.880 30 20 CHED N#Cc1ccncc1C(=O)Nc1ccc(Cl)c(Cl)c1 335953022 NMLKJXZSYGTONH-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC(C)(C#N)CCNc1cc(F)ccc1Br 232245791 CHHZDILFIHXBGZ-UHFFFAOYSA-N 285.160 3.940 30 20 CHED N#CCc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 332937351 XOZDWYLHYHRCPO-HLLBOEOZSA-N 297.402 3.843 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1ccc(C#N)cc1Br 235318097 GBZVWBRLJJOQKL-KWQFWETISA-N 297.221 3.627 30 20 CHED OC(CC1CCCCC1)=Nc1nc2cccnc2[nH]1 330036741 CSQAKPCDTXYAJS-UHFFFAOYSA-N 258.325 3.516 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc3sccc3c2)C1 334431579 WFRYXYLYHBMSJN-SMDDNHRTSA-N 256.374 3.683 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SC[C@H](C)C(F)(F)F 439030021 YIOYVOIGORMUQF-QWRGUYRKSA-N 297.386 3.731 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccccc3F)C2)cc1F 339381838 SYRIXXCSIIAYRG-OAHLLOKOSA-N 298.336 3.826 30 20 CHED Cc1ccc(-n2cnnc2S[C@H]2CC[C@@H](C#N)C2)c(C)c1 336254947 HXYMCVJXUZMTIG-KGLIPLIRSA-N 298.415 3.669 30 20 CHED C=CCC(C)(C)CNC(=O)NCCc1c[nH]c2ccccc12 432564530 BTZDZOZTCVPLCR-UHFFFAOYSA-N 299.418 3.612 30 20 CHED CC[C@H](c1ccc(F)cc1F)N(C)CC(C)(C)C#N 433302976 ZIKYWEAAHQRTRI-CQSZACIVSA-N 266.335 3.897 30 20 CHED CCN(CC#N)C(=O)c1sc2ccc(C)cc2c1C 335275034 NUXUOPFDUVTLMM-UHFFFAOYSA-N 272.373 3.504 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC3(CCCC3)C2)cc1 336278662 DMUUPDWNQKMPPK-UHFFFAOYSA-N 297.402 3.896 30 20 CHED C=CCC1(C(=O)NCc2ccc(CSC)cc2)CCC1 343155298 RKCQNSFEYNMCLE-UHFFFAOYSA-N 289.444 3.912 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)[C@H](C#N)c2nc3ccccc3n2C)C1 247568185 LFMBOEIEFIUMOQ-MCIONIFRSA-N 295.386 3.576 30 20 CHED C[C@@H](CCC#N)CNC(C)(C)COCc1ccccc1 602649009 RTBCHQOPBWOIKW-HNNXBMFYSA-N 274.408 3.511 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cccc(C(F)(F)F)c1 538198591 KQHRCXBJSBMYHI-RYUDHWBXSA-N 287.325 3.541 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CCSC1)c1ccccc1 435292630 YVBXXZGOKGWITC-CABCVRRESA-N 275.417 3.563 30 20 CHED C=CCCN(C)Cc1ccc(N(C)c2ccccc2)nc1 437122339 IRZOJYKXBSYUIQ-UHFFFAOYSA-N 281.403 3.857 30 20 CHED N#Cc1ccc(CN(C(=O)[C@@H]2CC23CCCC3)C2CC2)cc1 344288438 ISLIDFARTLJMDM-KRWDZBQOSA-N 294.398 3.630 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2NCC2(CC#N)CC2)cc1 430755046 OTCZXAVNWXYSCN-IAGOWNOFSA-N 268.404 3.915 30 20 CHED N#Cc1nn(Cc2ccc(Cl)cc2F)c2ccccc12 432455582 LJSYJSJLOOLCKS-UHFFFAOYSA-N 285.709 3.749 30 20 CHED O=C(/C=C\c1ccc(F)cc1Cl)c1cncc(F)c1 255469838 PESVPZAEQATVLA-RQOWECAXSA-N 279.673 3.909 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(C2CCCCC2)cs1 601700743 FVXRNXQKXPIWFX-SNVBAGLBSA-N 277.393 3.679 30 20 CHED Cc1cc2cc(C(=O)/C=C\c3csnn3)oc2cc1C 255001427 QVCVKIOYFCKEFC-ARJAWSKDSA-N 284.340 3.797 30 20 CHED C=CCCCCCN(C)C(=O)COc1ccccc1Cl 606814901 WPQCMPJTRAGQDW-UHFFFAOYSA-N 295.810 3.924 30 20 CHED C[C@H](C#N)CN[C@H]1CCC[C@H](c2ccccc2)CC1 529544258 XASRIMNOVMYNBN-PVAVHDDUSA-N 256.393 3.852 30 20 CHED C=C(C)CCNC/C(C)=C/c1ccccc1COC 449480150 XKQRVKYDIHVTTQ-RVDMUPIBSA-N 259.393 3.792 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)s1 255120581 BMUBXCXJUAOIEC-XQRVVYSFSA-N 275.279 3.794 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCc3c(OC)cccc32)CC1 356411256 QQPSENHUWVPBGG-HNNXBMFYSA-N 285.387 3.545 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2ccccc2F)CC1 602478954 VVNQIZWKOSWBDQ-AWEZNQCLSA-N 274.383 3.945 30 20 CHED C=C(C)[C@H](CC(=O)Nc1nccc2sccc12)OCC 359428377 QVCOKHQELJRXRT-LBPRGKRZSA-N 290.388 3.606 30 20 CHED CC(C)(C)[C@@H](NCc1cccc(C#N)n1)c1ccc(F)cc1 602532179 KZFNHHKWXSOQIM-KRWDZBQOSA-N 297.377 3.969 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(c2ccccc2OC)CC1 539438050 WDTYAVUMNAAZKD-AWEZNQCLSA-N 287.403 3.588 30 20 CHED Cc1cccc(O[C@H](C)CN[C@@H](C)c2cccc(C#N)c2)c1 537292769 OCEHOCBPAKIJHI-CVEARBPZSA-N 294.398 3.985 30 20 CHED CC1=CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1 534396930 GOCLRGKOKPCDKA-UHFFFAOYSA-N 283.762 3.916 30 20 CHED CC(C)(C)OCCSCCCC1(C#N)CCOCC1 356940302 XIUKKCWOLWDFTN-UHFFFAOYSA-N 285.453 3.635 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(C)cc2cccnc12)OCC 351818783 INJGNGRELVKTRK-INIZCTEOSA-N 298.386 3.853 30 20 CHED CCCOc1cccc(NCc2ccc(C#N)c(OC)c2)c1 440810259 COPWVOYTMOFLED-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CN(CC(C)(C)C)C(=O)N[C@H](CCC#N)c1ccccc1 269623437 QZAMRYDMDSDPAB-OAHLLOKOSA-N 287.407 3.719 30 20 CHED CCc1cc(C#N)ccc1OCc1ccc(C#N)cc1F 442112018 GRUSDKHTQVJGKG-UHFFFAOYSA-N 280.302 3.710 30 20 CHED CC(C)N(Cc1ccco1)C(=O)NCC(C)(C)CCC#N 358697822 SRJPRJOWYYRHDR-UHFFFAOYSA-N 291.395 3.530 30 20 CHED CC1(C)Cc2cccc(NC(=O)c3ccc(C#N)cc3)c2O1 530554215 SUIRIRZLJRRFCK-UHFFFAOYSA-N 292.338 3.524 30 20 CHED COc1cc(OC)cc(N(C)CCCCC(C)(C)C#N)c1 444676562 QYCOBGYTKLKHJA-UHFFFAOYSA-N 290.407 3.860 30 20 CHED Cc1ccc(CCCC(=O)N(C)c2ccc(C#N)cc2)s1 440051310 MHZAMPVNWBPSDQ-UHFFFAOYSA-N 298.411 3.914 30 20 CHED C=CCCOCCN[C@H]1CC(C)(C)c2ccccc21 537952718 QLFYVQCYMODTFB-INIZCTEOSA-N 259.393 3.591 30 20 CHED N#Cc1cccc(CNC2CCc3ccccc3CC2)c1 449586607 GEBOVUYQVYLDHA-UHFFFAOYSA-N 276.383 3.595 30 20 CHED C[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 358902703 KHIGDMWYERGAEU-IUODEOHRSA-N 270.376 3.562 30 20 CHED Cc1nc(N[C@H]2c3ccccc3O[C@@H]2C)c(Cl)cc1C#N 359980247 BKZSKUAMRBAYDO-MEBBXXQBSA-N 299.761 3.849 30 20 CHED CC(C)Cc1ccc([C@@H](C)NC2CCN(CC#N)CC2)cc1 610812564 BIGINSZZIQWGGB-MRXNPFEDSA-N 299.462 3.524 30 20 CHED C[C@@H](CCc1ccco1)N[C@@H]1CCc2ccc(C#N)cc21 353412636 MEDWOUCKAFDYLS-SCLBCKFNSA-N 280.371 3.749 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(C)ccc1Br 385077700 XYOSBSJROJINQG-UHFFFAOYSA-N 296.208 3.700 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCc1ccc2ccccc2c1 264138479 ZWXYHHARXCZMNK-AWEZNQCLSA-N 280.371 3.533 30 20 CHED C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C[C@H](C)C1 611062474 LMSLUGCTNHXJGP-RBSFLKMASA-N 299.418 3.697 30 20 CHED CCCC[C@@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 619697493 AYLGCGGNYFQJIP-CHWSQXEVSA-N 258.365 3.562 30 20 CHED Cc1noc(C)c1[C@H](C)CN[C@H]1CCc2ccc(C#N)cc21 353265445 YKRGMCZDUXJEMZ-DIFFPNOSSA-N 295.386 3.544 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)C1CCCC1 610520559 XUFAVASXJQYWHL-LBPRGKRZSA-N 286.375 3.722 30 20 CHED C=CCOc1ccc(CC(=O)N2[C@@H](CC)CC[C@H]2C)cc1 450376398 GPWNSBVAMXGJHO-ZBFHGGJFSA-N 287.403 3.583 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(N3CCCC3)c2)C1 617778948 RNUABWITILLUPJ-MRXNPFEDSA-N 298.430 3.715 30 20 CHED CC1(C)Cc2ccsc2CN1Cc1ccc(C#N)o1 453612283 ATEOKUNHUQATJS-UHFFFAOYSA-N 272.373 3.550 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(F)cc1 538282877 IJABGNFKSLKDRZ-NSHDSACASA-N 250.317 3.692 30 20 CHED C[C@H](CCc1ccc(F)cc1)NCC(C)(C)CC#N 459730230 LQFGDBLNHVSIQH-CYBMUJFWSA-N 262.372 3.676 30 20 CHED CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCC[C@H]2C#N)cc1 610496674 IRYQSVVJWXQNAD-XSLAGTTESA-N 296.414 3.722 30 20 CHED C=CCC1(C(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)CCCCC1 452237856 YNXQLCUSWKMLND-LUKYLMHMSA-N 285.431 3.794 30 20 CHED C#CC[C@@H](NC(=O)C(CC=C)CC=C)c1ccccc1 270171367 AIDXZCIZHQGNSW-QGZVFWFLSA-N 267.372 3.636 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)NCC(C)(C)CC#N 457996504 SIBPQKYXOZOQLZ-MRXNPFEDSA-N 286.419 3.557 30 20 CHED N#CCC[C@@H](C#N)CN1CCC(=Cc2ccccc2F)CC1 362407000 YHDSMLXYRYDNNA-INIZCTEOSA-N 297.377 3.748 30 20 CHED CCCCCC(C)(C)C(=O)Nc1cc(C)n(CCC#N)n1 271136950 OYHHMUAUERDDIR-UHFFFAOYSA-N 290.411 3.650 30 20 CHED C=C(CC)CNC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F 455521750 LKHHVOCCCYYMHH-NEPJUHHUSA-N 292.345 3.621 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)C1 457002955 BJCKVOKGKXAKOD-OAHLLOKOSA-N 284.403 3.651 30 20 CHED C=CCCc1nc(-c2ccc(C)c(Br)c2)no1 546496275 PHGIPHXMUIYMJC-UHFFFAOYSA-N 293.164 3.926 30 20 CHED C=CCC1(NC(=O)c2ccccc2Cl)CCCC1 619105126 BXLGZQBNPLGMGK-UHFFFAOYSA-N 263.768 3.959 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(C)c(F)c2)no1 279102222 XJBUJPIQWZLHLM-TZMCWYRMSA-N 288.322 3.633 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)Nc1cccc(CC#N)c1 456759333 VQZRKKBJYHYRNI-WBMJQRKESA-N 256.349 3.517 30 20 CHED C=C(C)CCNC(=O)N[C@H](C(=C)C)c1ccc(F)c(F)c1 454826900 ZLOATAHGGDWFBZ-OAHLLOKOSA-N 294.345 3.847 30 20 CHED CC[C@H](C)c1nc([C@@H](C)Nc2cccc(F)c2C#N)n[nH]1 277480215 SLKWQKNSOHPNAP-VHSXEESVSA-N 287.342 3.502 30 20 CHED COCC[C@H](Nc1ccc(C#N)cc1)c1ccc(C)o1 272250469 SMINUKKHFMCPGK-HNNXBMFYSA-N 270.332 3.649 30 20 CHED Cc1cccc(Cl)c1NC(=O)NCC(C)(C)CC#N 459521628 ZMVROVWVYRETNZ-UHFFFAOYSA-N 279.771 3.710 30 20 CHED C[C@@H](F)CCNc1nc2c(cc1C#N)CCCC2(C)C 549616909 FVRGGNLAMBESJQ-LLVKDONJSA-N 275.371 3.727 30 20 CHED C=CCN(C(=O)c1ccc(C)c(C(C)=O)c1)C(C)(C)C 622945135 TXAUZZAKGYTGSP-UHFFFAOYSA-N 273.376 3.624 30 20 CHED Cc1cccc(C2=CCN(C(=O)CC(C)(C)C#N)CC2)c1 278672961 GEUDJQJFSGCOQP-UHFFFAOYSA-N 282.387 3.551 30 20 CHED CS[C@@H](CN=c1c(C#N)c[nH]c2ccccc12)C(C)(C)C 544063158 RYDGMLXKBUKOPV-HNNXBMFYSA-N 299.443 3.718 30 20 CHED CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc(F)ccc1F 274618292 LOTOSGJOYXXJDK-HCKVZZMMSA-N 264.319 3.698 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(CC#N)cc2)cc1 270268945 PUYOYQDEGKNSNA-OAHLLOKOSA-N 292.382 3.894 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(CC#N)cc1)C1CC1 270316144 SLEWAXGSXJHFRO-ZIAGYGMSSA-N 284.403 3.792 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccccc1-c1cnn(C)c1 540150591 GNXUAOKGUHJAKG-HUUCEWRRSA-N 283.419 3.777 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 465121735 PWRBZWUUCRZOPR-KGLIPLIRSA-N 275.392 3.576 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(Nc2ccccc2)c1 468832193 FHRLNSLQUMSRBX-GFCCVEGCSA-N 265.316 3.528 30 20 CHED C=C[C@@H](C)NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 464756529 RJWMSJOPNYRDDR-SECBINFHSA-N 299.201 3.636 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C[C@H]2CCOC2)C1 370690074 LTWALFFIXSTWOP-KBAYOESNSA-N 298.430 3.758 30 20 CHED CCCN(CCC)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 284953036 DKOZTAFDGUZOMW-UHFFFAOYSA-N 290.382 3.624 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1CC1CCCCC1 464755311 WEVBCFQWOKPEAL-ZFWWWQNUSA-N 264.413 3.705 30 20 CHED Cc1ccccc1[C@H]1CCCN1c1ccnc(C#N)c1 283616779 SGOMSEKMBLDKFS-QGZVFWFLSA-N 263.344 3.603 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc2ccccc2n1 280958580 YLCVLCDHCMGTIG-GMBSWORKSA-N 296.414 3.867 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC(F)F)cc1F 282868066 VYXRFNCMIMEXEL-UHFFFAOYSA-N 285.265 3.559 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](c1nccn1C)C1CC1 639265269 JCBMRJUOUNXAIF-QZTJIDSGSA-N 295.430 3.648 30 20 CHED C=CCOc1ccccc1C(=O)N1CC2(CCC2)[C@H]1C(C)C 552723544 OIQFFLCHVYASFY-QGZVFWFLSA-N 299.414 3.902 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)c(F)c2)cc(C)c1F 464646555 IDWIIUONWOUDIL-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cn1 554078372 IJPOHFRGOSJYLA-RDJZCZTQSA-N 271.408 3.648 30 20 CHED C=CCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 280724880 QHUBTKUDYFUITA-UONOGXRCSA-N 263.768 3.668 30 20 CHED CCc1cc(C(=O)N2CCc3ccc(C#N)cc32)sc1C 550520066 IBXJVCRTGWQQIC-UHFFFAOYSA-N 296.395 3.694 30 20 CHED C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)CC(C)(C)C#N)C1 288582799 XNCSFWXHIBUACJ-GDBMZVCRSA-N 284.403 3.926 30 20 CHED C[C@@H](CF)NC(=O)Nc1ccccc1S[C@H](C)CC#N 286926714 HTXCJNBVAYHKTJ-WDEREUQCSA-N 295.383 3.560 30 20 CHED COc1cc(CN[C@@H](c2ccccc2)C2CC2)ccc1C#N 281685361 MPIAAFQHIYASOE-IBGZPJMESA-N 292.382 3.808 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 553920890 HLSYWYRRWUBODB-IJEWVQPXSA-N 272.392 3.744 30 20 CHED C=C1CC(C)(C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 630546885 AEJWUUAHYBIEHW-LBPRGKRZSA-N 269.344 3.966 30 20 CHED C=C(CC)CNCc1ccc2ccc(F)c(F)c2n1 639239395 JKEORSFHTYNQCN-UHFFFAOYSA-N 262.303 3.569 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 479524357 GXFBDNRYYREAKD-KRWDZBQOSA-N 257.377 3.919 30 20 CHED Cc1ccccc1/C=C1\Cc2nc(Cl)ccc2C1=O 806578651 WXDITZTUOCKGNI-XYOKQWHBSA-N 269.731 3.866 30 20 CHED CC(C)(C)OCCCOC(=O)c1cc(C#N)ccc1Cl 803834413 COSNXMVZVUKIKG-UHFFFAOYSA-N 295.766 3.574 30 20 CHED CCCn1c(-c2cc(O)cc(F)c2)nc2cc(C#N)ccc21 471428205 REHJPZPTSIUQHI-UHFFFAOYSA-N 295.317 3.830 30 20 CHED Cc1cc(OC(=O)C2(C#N)CCCCC2)c(C)c(C)c1C#N 809038229 SSARSOXOEZKGMJ-UHFFFAOYSA-N 296.370 3.863 30 20 CHED CCc1cccc(NC(=S)NCC(C)(C)CCC#N)c1 806596987 DBDBXSUJDLBVHY-UHFFFAOYSA-N 289.448 3.865 30 20 CHED C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCC#N)CC1CC1 470173632 DWJOTPBHZMLJRP-GXDHUFHOSA-N 299.374 3.624 30 20 CHED CCOc1ccc(C2=CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 293715987 FFNUANAALDWXHS-MAUKXSAKSA-N 296.414 3.867 30 20 CHED CSc1ccc(CN2CCC(CCC#N)CC2)cc1 563067741 ITDHDPJDGMOSPU-UHFFFAOYSA-N 274.433 3.924 30 20 CHED C[C@@H](C#N)OCCN(C)c1ccc(Oc2ccccc2)cc1 801930601 FDNBSBVUHCUKSO-HNNXBMFYSA-N 296.370 3.844 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 296026220 ZMBOBUZASMOOSD-GFCCVEGCSA-N 284.359 3.731 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 297715302 FLWABJBRGIJMAB-JTQLQIEISA-N 278.783 3.622 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1ncc(C)s1)C2=O 295931622 NPZNPNNELAOSNF-WQLSENKSSA-N 285.368 3.673 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(C2CC2)n(CC)n1 292804195 RQKGPHWHRYGIRT-UHFFFAOYSA-N 290.411 3.504 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CCC[C@H](F)C1)c1ccccc1 564728817 FUJBJTKFXUPILU-VNQPRFMTSA-N 275.367 3.743 30 20 CHED C[C@]12CCN(c3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl 804706022 PHDOMDMKYQEIQM-STQMWFEESA-N 281.186 3.578 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(-c2ccccc2)ns1 806311035 MBUCDLSLUZLNPQ-CYBMUJFWSA-N 299.399 3.734 30 20 CHED C=CCC1(NCc2nccn2C(F)F)CCCCC1 648777364 NXADFFKAUHUQCM-UHFFFAOYSA-N 269.339 3.647 30 20 CHED Cc1cc(OC(=O)C[C@H]2C=CCC2)c(C)c(C)c1C#N 809034854 QLISIPXHFFAHOZ-AWEZNQCLSA-N 269.344 3.745 30 20 CHED C=CCCCCS(=O)(=O)Cc1cccc(C(F)F)c1 569673549 SVARJASJBVUVKO-UHFFFAOYSA-N 288.359 3.895 30 20 CHED CC(=NOCCC1CC1)c1ccc2ccccc2n1 814246792 YBTBEGOGVMBYFE-UHFFFAOYSA-N 254.333 3.776 30 20 CHED C[C@H]1C(=NOC2CCCCC2)CC[C@H](C(=O)O)C1(C)C 814910142 QYGZPMHLKKNQDF-WCQYABFASA-N 281.396 3.849 30 20 CHED CON(CCC(C)(C)C#N)C[C@@H]1CCC[C@H](C)C1 810140487 VNVQFWZVXDLUCC-UONOGXRCSA-N 252.402 3.616 30 20 CHED CC[C@@H]1CCCC1=NN[C@H](C)COc1ccccc1 811665755 UABFYBKPOHLDHE-ZIAGYGMSSA-N 260.381 3.610 30 20 CHED Cc1cc(C#N)ccc1-c1nc(CC2CC(F)(F)C2)no1 564292446 ASAPXQUTNUNXCT-UHFFFAOYSA-N 289.285 3.505 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc(C(=O)N(C)CC)c1 562059144 SHOUITZGSCMXBY-UONOGXRCSA-N 274.408 3.791 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)c1ccncc1 819291646 WWAAHFPROSQJPB-BPUTZDHNSA-N 272.392 3.641 30 20 CHED CCCC(=NNc1ccc(F)cc1OC)c1ccccn1 814915913 LNZQPRCSXNHMOH-UHFFFAOYSA-N 287.338 3.846 30 20 CHED C[C@@](C#N)(NC(=O)c1ccnc(C2CC2)c1)C1CCCCC1 575156260 MXUBXIBZNPXHAQ-SFHVURJKSA-N 297.402 3.551 30 20 CHED CC(=NNc1ccccc1F)c1ccc(F)c(F)c1 812461031 ZJMKQTVBOBAMOQ-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 484327827 XINYLOIWYMTTEW-XHDPSFHLSA-N 276.767 3.832 30 20 CHED Cc1ccc(NN=C2CS[C@@H](C(C)(C)C)C2)nc1 814831591 IQWQEMZUDITVQS-GFCCVEGCSA-N 263.410 3.710 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@@H](OCC2CC2)C1 489910959 JJIARYRSGDSRDG-CQSZACIVSA-N 290.794 3.607 30 20 CHED Cc1nc(Oc2ccc(NC(=O)C(C)C)cc2)ccc1C#N 488088462 YABGFNYSOBVUIU-UHFFFAOYSA-N 295.342 3.649 30 20 CHED Cc1ccc2sc(C(=O)OC[C@@H](C)C#N)cc2c1 810634414 IIEAYFCLVIPXLH-JTQLQIEISA-N 259.330 3.526 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc(C2CC2)c1 579974404 FADUFXJZHIZYNL-UHFFFAOYSA-N 284.403 3.966 30 20 CHED Cc1cc(NN=C(Cc2ccccc2)C2CC2)nc(C)n1 729141606 BBENPMSYGQMDEY-UHFFFAOYSA-N 280.375 3.514 30 20 CHED CCC(=O)c1ccc(OCc2cccc(F)c2C#N)cc1 488246809 VGFRHERMXPRWGX-UHFFFAOYSA-N 283.302 3.869 30 20 CHED C#Cc1cccc(NC(=S)NC2(c3ccccc3)CC2)c1 726492827 AHJOVKCEPMYVLT-UHFFFAOYSA-N 292.407 3.644 30 20 CHED N#Cc1ccc(C(=O)Nc2nc3ccsc3s2)s1 487020218 IMVZAWKSCUHXJU-UHFFFAOYSA-N 291.382 3.543 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCC1(C#N)CC1 576925520 NOHQUVGYWBMDPB-MRXNPFEDSA-N 299.418 3.685 30 20 CHED C(=NNc1ccccn1)c1csc(-c2cccs2)n1 728428349 VJWMPYZYCRYUML-UHFFFAOYSA-N 286.385 3.713 30 20 CHED C=CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 726596993 ZKOACJORTNULRE-UHFFFAOYSA-N 296.455 3.530 30 20 CHED FC(F)Oc1ccc(Cl)cc1C=NNC1CCCC1 727651516 CIPFIOWPEFDTOA-UHFFFAOYSA-N 288.725 3.808 30 20 CHED C=CCC1(C(=O)NC[C@H]2CC2(Cl)Cl)CCCCC1 822411095 DUBZGFBMMIJLHC-LLVKDONJSA-N 290.234 3.823 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@H](C)[C@@H]1CC 573021430 XSKWJGGLVTZGQK-ZFWWWQNUSA-N 288.439 3.747 30 20 CHED C[C@@H](NC(=O)NCC1(C#N)CCC1)c1ccc(C2CC2)cc1 570188756 NSLUPRDQLQEIFB-CYBMUJFWSA-N 297.402 3.618 30 20 CHED CN(C(=O)/C=C/SCc1ccco1)c1ccc(C#N)cc1 492203725 FUDAXMIFVMPDNF-CSKARUKUSA-N 298.367 3.561 30 20 CHED CCN(c1ccc(NC(=O)C#CC(C)C)cc1)C(C)C 820416198 BOLYBVGGKXXUDH-UHFFFAOYSA-N 272.392 3.519 30 20 CHED C#C[C@@H](NCc1ccco1)c1ccc(Cl)cc1F 491303690 BTHJBJKKLOYFSG-CQSZACIVSA-N 263.699 3.536 30 20 CHED CCCCC[C@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 728393893 YHLYCHCBWACYCW-NSHDSACASA-N 277.343 3.788 30 20 CHED C=C(CC)CNC(=O)Nc1cc(F)ccc1Cl 583067422 NKNBAAAKKWIQFD-UHFFFAOYSA-N 256.708 3.567 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@@H](C)CC(F)(F)F 665145167 OBXPCLQJPIZBAB-JTQLQIEISA-N 280.334 3.619 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(CC(F)(F)F)cs1 820826158 DKTLBQSNYARHAR-MRVPVSSYSA-N 292.326 3.789 30 20 CHED C=C(C)CN(C)Cc1ccc(OCCC)c(OCC)c1 497142656 HGTYLNNFJPLRMO-UHFFFAOYSA-N 277.408 3.882 30 20 CHED C=C(Cl)C[C@H](NC[C@@H](CCC)c1ccccc1)C(=O)O 904025972 MILMEWAYRUDEGQ-CABCVRRESA-N 295.810 3.756 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cccnc2C)n1 589254304 NAEHVSQUOJYQLQ-UHFFFAOYSA-N 269.373 3.566 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(C)CC(C)(C)C#N 497449363 YRRLFNLYHHURQH-AWEZNQCLSA-N 264.413 3.601 30 20 CHED CCCCCCCCC(=O)N(C)C[C@H]1CCCN(C)C1 734447842 VVGZDEJRWYCCMY-INIZCTEOSA-N 282.472 3.537 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1CCCCC1 499310852 PQQZLGPOPXXTCD-UHFFFAOYSA-N 271.404 3.824 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C)cc1 494705918 CPQFFSFABLQYBB-HOCLYGCPSA-N 272.392 3.806 30 20 CHED CCCSCC(C)=NNc1cccc(Cl)n1 901245178 FBJFFTPFSDLZCN-UHFFFAOYSA-N 257.790 3.666 30 20 CHED CC#CCCCC(=O)OC[C@H]1CCCCC1(F)F 835641775 KKOMEVCNBFGHSF-GFCCVEGCSA-N 258.308 3.549 30 20 CHED CSc1ccc(C(C)=NN[C@@H](C)C(F)(F)F)cc1 834995649 JFDMLGBRJKSHRA-VIFPVBQESA-N 276.327 3.673 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C(=O)C#CC(C)(C)C 837435809 NHZZNRFRUCSDEM-INIZCTEOSA-N 271.404 3.516 30 20 CHED CCc1onc(C)c1C=NNc1ncc(Cl)cc1Cl 901142990 CMGGIJWAEKBDKH-UHFFFAOYSA-N 299.161 3.693 30 20 CHED Cc1cc(Cl)cc(/C=C\C(=O)c2cn(C(C)C)nn2)c1 901526347 AFFXUZBZURUKMM-PLNGDYQASA-N 289.766 3.717 30 20 CHED C[C@H](CSCc1ccc(C#N)cn1)c1ccccc1 582250872 FULYTXVUDSYGET-CYBMUJFWSA-N 268.385 3.990 30 20 CHED Cc1ccc(C[C@H](C)/N=C/c2cccc(O)c2O)c(C)c1 731155394 FQRBFBRHXFUIMF-YRIIZNAFSA-N 283.371 3.765 30 20 CHED C=CCCCCCCCNC(=O)NC1CCC(OC)CC1 838594669 HBFVETLPJPHYHE-UHFFFAOYSA-N 296.455 3.770 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1ccc2c(c1)CCO2 834870104 GDKRDKRVIDUASI-GORDUTHDSA-N 286.277 3.796 30 20 CHED O=C(/C=C\c1ccc(OCC2CC2)cc1)c1ccncc1 588578304 BZERMWRVOPDYDH-YVMONPNESA-N 279.339 3.767 30 20 CHED C#CCC[C@H](C)OC(=O)CCc1ccc(OC(F)F)cc1 839033265 BRUIHCCSSMNKHV-LBPRGKRZSA-N 296.313 3.566 30 20 CHED C=CCCCOC(=O)c1cc2ccc(F)cc2nc1C 735527972 NPIYGYLCSWJREG-UHFFFAOYSA-N 273.307 3.805 30 20 CHED CCN(CC1CC1)C(=S)Nc1ccc(C#N)c(Cl)c1 732621915 LNAQPHNJZJLTEV-UHFFFAOYSA-N 293.823 3.640 30 20 CHED C[C@H]1C/C(=C/c2cnn(C)c2Cl)C(=O)c2ccccc21 834429978 BTVWVPVULFILHW-DFYQSJSGSA-N 286.762 3.847 30 20 CHED C=C[C@H]1CCCCN1C(=O)CC[C@H]1CC1(Cl)Cl 834660605 RHLBKNYGOMIGJH-QWRGUYRKSA-N 276.207 3.528 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)c1cccc(CC(C)C)c1 671771195 NGJVURYTFZESGX-UONOGXRCSA-N 259.393 3.679 30 20 CHED C=CCN(CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C(C)C 839968477 KUXPKJOKUPPWLQ-KRWDZBQOSA-N 298.430 3.594 30 20 CHED N#CC1(CC(=O)N(CC2CCC2)CC2CC2)CCCCC1 597601569 VMKQPYPGFHLJMS-UHFFFAOYSA-N 288.435 3.889 30 20 CHED N#Cc1ccc(CCNC2CC(c3ccccc3)C2)cc1 595056052 PXJMETDQNWGXPA-UHFFFAOYSA-N 276.383 3.637 30 20 CHED C=CC[C@@H](C(=O)NCC1(SCC)CC1)c1ccccc1 598329737 OVCDXHKSAPCICW-OAHLLOKOSA-N 289.444 3.748 30 20 CHED CC(=NNc1cncc(Cl)n1)[C@@H]1CCCC[C@@H]1C 834937970 CAANQLLQLXMFJA-GXSJLCMTSA-N 266.776 3.744 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)[C@H]1CCOC1 741961091 ANTHFIPARKPCBE-GJZGRUSLSA-N 269.429 3.668 30 20 CHED COC(=O)Cc1ccccc1-c1cccc(C2(C#N)CC2)c1 596639017 WBYGRULYIVVMDG-UHFFFAOYSA-N 291.350 3.624 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(C2(C#N)CCC2)n1 590285144 IFYKRHUZZXALEV-NWDGAFQWSA-N 259.353 3.699 30 20 CHED C#CCCCCNC(=O)c1[nH]c2c(Cl)cccc2c1C 839702502 QNFLLVVEUHQFLA-UHFFFAOYSA-N 288.778 3.663 30 20 CHED N#CCCCCNC(=O)CCC1CCCCCC1 593975871 SJMZQHUIIRUYGM-UHFFFAOYSA-N 250.386 3.547 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cccc(OCC#N)c1 743451073 YZOZIAZIURTGLG-OAHLLOKOSA-N 287.407 3.871 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)OC2(CCCC2)C1 592195896 VNOBHRRAOWJTKZ-CABCVRRESA-N 284.403 3.653 30 20 CHED CCCOc1ccc(C=NNc2ncccc2Cl)cc1 917549508 QMWNSKQYKYVWMA-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CC(CCc1ccccc1)=NNc1nc2ccccc2n1C 915967148 CPPHOJVWYIFBSN-UHFFFAOYSA-N 292.386 3.994 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)c2ccc(OC)cc2)c1 746659590 LFTCJLZXWYHOLW-ZDUSSCGKSA-N 294.354 3.559 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(CN(CC)CC)o1 678881223 AORSAFNQEFRVJZ-AWEZNQCLSA-N 292.423 3.596 30 20 CHED CCCCCCCC(=O)N[C@@H]1COCc2ccccc21 841357859 NUOVZMOOBJMIPX-MRXNPFEDSA-N 275.392 3.735 30 20 CHED CC[C@@H](CC#N)NCCn1ccc2cc(Cl)ccc21 594006647 KAYDTMDARQHONK-AWEZNQCLSA-N 275.783 3.577 30 20 CHED N#Cc1ccc(N(C(=O)C[C@@H]2CC[C@H]3C[C@H]23)C2CCC2)cc1 598884296 CZRAMCJYIUKPDB-MPGHIAIKSA-N 294.398 3.880 30 20 CHED N#Cc1ccc(NC(=O)NC2(C3CCC3)CC2)cc1Cl 593135755 GKRKTMPWBIKUGO-UHFFFAOYSA-N 289.766 3.666 30 20 CHED CCOc1ccc(C(C)=NNc2ccc(Cl)nc2)cc1 743450626 UMOOSRZEXMUIKB-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CC(=NN=C(C)c1cnccn1)c1ccc2ccccc2c1 745200647 BHVFQFRHBNIQBK-UHFFFAOYSA-N 288.354 3.863 30 20 CHED C=C[C@H](C)ONC(=O)N(Cc1ccccc1)[C@H](C)CC 845632072 WJKQJIOTURUYIA-KGLIPLIRSA-N 276.380 3.503 30 20 CHED C/C(=C/c1ccco1)C(=O)OCC(C)(C)CCC#N 847702782 UPFHEPMTTXFYRJ-BENRWUELSA-N 261.321 3.556 30 20 CHED C=CCCC(CCC)=NNc1ncc(Br)cn1 848420256 UWUWHVYFDJKEFI-UHFFFAOYSA-N 297.200 3.773 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)Cc1cccs1 684774160 RTAJYZVDHNKZTK-LZWOXQAQSA-N 279.449 3.640 30 20 CHED N#CCC1(CNc2ccc(-n3cccn3)c(Cl)c2)CC1 594699663 AGEQIUPPFQHFMP-UHFFFAOYSA-N 286.766 3.631 30 20 CHED C=CCn1c(SCCC)nnc1-c1cccc(C)c1 684985592 FOUQPVHYEZUPLB-UHFFFAOYSA-N 273.405 3.942 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CC#N)c1ccccc1 592587421 MCONGVAMXSFEBB-DZGCQCFKSA-N 270.376 3.615 30 20 CHED CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1 590778420 AXRLWIQOPBDHAB-ROUUACIJSA-N 277.371 3.681 30 20 CHED CCC/C=C/C(=O)N[C@@H](CCC#N)c1ccccc1 749045212 JSPNGZOSUHDOQM-LYOQKUPSSA-N 256.349 3.504 30 20 CHED CC(C)COc1ccccc1CN1CCC[C@@H](CC#N)C1 595615310 PVBKWBXMFITGDO-INIZCTEOSA-N 286.419 3.847 30 20 CHED C=C(C)[C@H](Cc1nc([C@@H]2CCc3ccccc32)no1)OCC 680746134 IRAHCUBECVMRJX-CVEARBPZSA-N 298.386 3.671 30 20 CHED C#CC1CCN(C(=O)C[C@@H](c2ccccc2)C(C)C)CC1 843707584 XSQKWGPFAQVAQQ-GOSISDBHSA-N 283.415 3.688 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1CCC(C)=C(C)C1)c1ccccc1 843639213 GUEOGLZURGTUHA-IAGOWNOFSA-N 267.372 3.614 30 20 CHED C#C[C@@H](OC(=O)CC1(CSC)CC1)c1ccc(F)cc1 845601929 SYCMYMPMKKTURX-CQSZACIVSA-N 292.375 3.577 30 20 CHED CSCCC=NNc1nc(-c2ccccc2)cs1 755593002 LQOIAUVLSNLFAE-UHFFFAOYSA-N 277.418 3.961 30 20 CHED CCCc1ccc(OC(=O)c2ccccc2OCC#N)cc1 752229419 RRSCCUVZPOBKCK-UHFFFAOYSA-N 295.338 3.761 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@H]1CCCCC1(C)C 751750665 WFLSAQFUQFBRAF-OAHLLOKOSA-N 278.440 3.991 30 20 CHED CC[C@H]1CCCC1=NNc1cccc([N+](=O)[O-])c1C 758370512 NRXOIRLFAPXROE-NSHDSACASA-N 261.325 3.881 30 20 CHED CC(=NNc1cc(C)ccn1)c1cc(C)c(F)c(C)c1 755901536 XCYXIXQKGNXGPS-UHFFFAOYSA-N 271.339 3.982 30 20 CHED C=C(Cl)COc1ccccc1OCC(F)(F)F 853663058 ZTIBBSDZRTWNJL-UHFFFAOYSA-N 266.646 3.759 30 20 CHED CC(C)C#CC(=O)NC1(Cc2ccc(Cl)cc2)CCC1 854597081 ZJQNUOBYDINPPR-UHFFFAOYSA-N 289.806 3.581 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1cc(F)cc(F)c1O 755598929 LXWBUFOAQDXCQW-OWOJBTEDSA-N 296.219 3.845 30 20 CHED CC(C)C#CC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 854990179 JJOQKYZGGCXHSQ-INIZCTEOSA-N 269.388 3.646 30 20 CHED CCC/C=C/C(=O)NCC#Cc1cccc(C(F)(F)F)c1 920441874 BMFFJHKOKHTFLD-ONNFQVAWSA-N 295.304 3.529 30 20 CHED C#CC[C@H](NCc1cccc(F)c1F)c1ccccc1 756995400 HRGJJKPSWGWHEM-INIZCTEOSA-N 271.310 3.819 30 20 CHED CC(=O)Nc1cccc(C(C)=NNc2cc(C)ccc2F)c1 759652406 IWQUEGWPXMRSJX-UHFFFAOYSA-N 299.349 3.929 30 20 CHED C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1C(C)C 852098187 HDXRSVWMUFJVFQ-KDOFPFPSSA-N 286.419 3.529 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2ccccc2)C1 926344895 AGHFZGDQDSRNMH-FVQBIDKESA-N 256.393 3.851 30 20 CHED C=C[C@H](OC(=O)c1cnn(C(C)C)c1)c1ccccc1 851451197 FFNSQAHBZKGMRO-HNNXBMFYSA-N 270.332 3.548 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2ccc3c(c2)CCCO3)cn1 853010849 ODVNLTORRWCJCH-FNORWQNLSA-N 296.370 3.685 30 20 CHED Cc1oc(-c2ccccc2)nc1CON=CC1CC1 853735757 ZIKMNNQLQCDYRX-UHFFFAOYSA-N 256.305 3.562 30 20 CHED COc1ccc(C[C@@H](C)C=NOCC(F)(F)F)cc1F 758129393 PENNRFVKSPCKOL-SECBINFHSA-N 293.260 3.578 30 20 CHED CC(C)[C@@H](CN[C@@H](C)CC(C)(C)C#N)c1cccnc1 925233764 HWGNZOSWBOKYGK-GOEBONIOSA-N 273.424 3.739 30 20 CHED C#CCCCC(=O)OCc1cc(Cl)cc2cccnc12 759174699 XOTDYVPOQMNTSI-UHFFFAOYSA-N 287.746 3.735 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1CCCOC1 755485411 IHTQGJHLGQVNLQ-OAHLLOKOSA-N 269.429 3.670 30 20 CHED C#CCN[C@H](c1ccccc1Cl)c1ccccc1OC 754310040 XMIHYHUVJJNMOR-QGZVFWFLSA-N 285.774 3.661 30 20 CHED C#C[C@@](C)(CC)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 854703782 DJXFPDQNBNNMEV-ABAIWWIYSA-N 297.320 3.727 30 20 CHED N#Cc1csc(C(=O)OCCC2CCCCC2)c1 752185999 VAOZKGMAWZAZAM-UHFFFAOYSA-N 263.362 3.747 30 20 CHED CCCCCCCNC(=O)C[C@H]1CCO[C@@H](CC)C1 862357775 GTZPTGORDWGZBN-GJZGRUSLSA-N 269.429 3.668 30 20 CHED CCc1ccc(/C=C\C(=O)c2cc(C(=O)OC)co2)cc1 766503108 UHYRQPSLHASIHE-HJWRWDBZSA-N 284.311 3.525 30 20 CHED C=CCCCNC(=O)Nc1ccc(C(F)F)cc1 933097225 PXUZUEYCJKSHKD-UHFFFAOYSA-N 254.280 3.712 30 20 CHED C=CCn1c(SCCCC2CC2)nnc1C1CC1 865344883 IYNGAYHOGPXUQG-UHFFFAOYSA-N 263.410 3.624 30 20 CHED CCCCO[C@@H]1CC(=NOCC(F)(F)F)C1(C)C 764848171 ZWLVNPQBVRARSZ-SNVBAGLBSA-N 267.291 3.537 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](C#N)C(C)(C)C 934232341 FBAGWIXEERLEOJ-GFCCVEGCSA-N 276.380 3.554 30 20 CHED C[C@H](COCC1CCCCC1)NCCCC(C)(C)C#N 932424818 MRVZAFDWQVNAJU-OAHLLOKOSA-N 280.456 3.891 30 20 CHED Cc1ccc(F)c([C@@H](C)OC(=O)c2ccc(C#N)cc2)c1 764333836 WLKBYKQJEQBNEA-GFCCVEGCSA-N 283.302 3.924 30 20 CHED COc1ccc(-c2ccc([C@H](C)O)cc2)cc1C1(C#N)CC1 864550140 OWXFTHSMKHEQPN-ZDUSSCGKSA-N 293.366 3.971 30 20 CHED C=CC[C@@H](NC(=O)/C=C/C(=C/C)CC)c1ccncc1 765551301 GWVGVYWHPDXSCE-RFXTUCFTSA-N 270.376 3.728 30 20 CHED CCC[C@H](C(=O)OCc1cc(C#N)ccc1F)C(C)C 763856972 QRKIIDKMMBKBGB-AWEZNQCLSA-N 277.339 3.813 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1CCCc2cnn(C(C)C)c21 1118530344 NYJQBQCUDXXXKT-OAHLLOKOSA-N 295.390 3.529 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](CC(C)C)c1ccccc1 761405802 UNFSMOBEDCUCBS-KRWDZBQOSA-N 288.387 3.895 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(Cl)c(Cl)c1O 1116643699 SLDCGFWWOJPPSZ-RKDXNWHRSA-N 290.190 3.551 30 20 CHED Cc1cc2oc(=O)cc(CN[C@@H](C)CC#N)c2cc1C(C)C 878818112 LDXSMNNOGRPHHP-ZDUSSCGKSA-N 298.386 3.617 30 20 CHED CN(C)c1cc(CSCc2ccc(CC#N)cc2)ccn1 1118123711 SHISDNMQFXDLSY-UHFFFAOYSA-N 297.427 3.647 30 20 CHED C=C[C@@H]1CCCCN1Cc1coc(-c2ccccc2OC)n1 878523872 JIRGWPAHNMUDAZ-OAHLLOKOSA-N 298.386 3.891 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 879874093 SHCWPDBOBYGNRW-YQQAZPJKSA-N 285.387 3.559 30 20 CHED CC[C@@H]1[C@@H](C)CCN1CC[C@@](C#N)(C(C)=O)c1ccccc1 878453959 PXOJKAZZYBVTNV-KFKAGJAMSA-N 298.430 3.547 30 20 CHED CC(C)C[C@H](C)OCCC(=O)O[C@H](C#N)C1CCCCC1 776392976 XHUXXQUJIUVNJU-GOEBONIOSA-N 295.423 3.843 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 779968429 SIUNLBVUQWOVMH-WMZOPIPTSA-N 299.414 3.559 30 20 CHED C=CCCCC(=O)OCc1ncc(Cl)cc1Cl 777101919 IYCVAIILYXFTRS-UHFFFAOYSA-N 274.147 3.788 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1ccc(C)c(-c2ncco2)c1 878957587 IRIITNXFCTUVEL-KRWDZBQOSA-N 297.358 3.573 30 20 CHED CON=Cc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 876047410 ADFNSIGFNSESKD-UHFFFAOYSA-N 289.718 3.540 30 20 CHED N#Cc1ccc(/C=C2/CCc3ccc(F)cc3C2=O)s1 776191054 AEWIKWUUXWVUGL-XFFZJAGNSA-N 283.327 3.971 30 20 CHED C#CCCCCCC(=O)Oc1ccccc1Br 779739076 LFQKCEXXNQCPPD-UHFFFAOYSA-N 295.176 3.938 30 20 CHED Fc1cccc2[nH]cc(C=NOCCC(F)(F)F)c12 777462758 KXRHEMZAZNSCEL-UHFFFAOYSA-N 274.217 3.610 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc(-c2ncco2)c1)C(C)(C)C 879023127 AKXGTRVFXUGVEV-CQSZACIVSA-N 297.358 3.511 30 20 CHED C[C@@H](CCO)C1(C/N=C/c2cc(Cl)ccc2O)CCC1 775632402 YNHKCCLTKIIINZ-NNLQFVHNSA-N 295.810 3.653 30 20 CHED C=CCCCC(=O)Nc1n[nH]c(-c2ccccc2OC)c1C 889439947 MOMMNWZTNZOQKI-UHFFFAOYSA-N 299.374 3.689 30 20 CHED C=CCN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C(C)C 789427241 FLEFAZHIXPPSLZ-UHFFFAOYSA-N 291.351 3.640 30 20 CHED C=C(C)CCC(=O)N(Cc1ccc(O)cc1)Cc1ccco1 1120709564 SVQXPZLQAATFKI-UHFFFAOYSA-N 299.370 3.870 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@H](C)C1CC1 783873190 UJKPCLXDMVSWBD-CQSZACIVSA-N 273.376 3.569 30 20 CHED C=CCCC(=O)OC/C=C/c1ccc(Cl)cc1 787687021 MZOIORKFEFBRBH-SNAWJCMRSA-N 250.725 3.863 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNCCc1ccccn1 789105066 KZWVRKVWCCCDAD-HNNXBMFYSA-N 273.424 3.806 30 20 CHED N#CC1(CNc2ccnc(-c3cccc(Cl)c3)n2)CC1 884495361 SDWVHFKEWFAQAJ-UHFFFAOYSA-N 284.750 3.513 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)cs1 785862054 PYJFFHVYVQHMCV-JTQLQIEISA-N 255.770 3.582 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)C[C@H]1C 1125891535 UNTLCZZBWCUKGI-RBSFLKMASA-N 278.440 3.847 30 20 CHED C[C@H](C(=O)OCCCC(C)(C)C#N)c1c(F)cccc1F 784443497 DZIKAQBWTFNMSH-NSHDSACASA-N 295.329 3.941 30 20 CHED CC(=NNc1ncncc1Cl)c1cc2ccccc2o1 780279457 DUIUPFFTAJYKLX-UHFFFAOYSA-N 286.722 3.712 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1ccc(O)cc1 782300730 HUEZRPBQYXLZTH-KRXBUXKQSA-N 275.307 3.837 30 20 CHED C#CCC1(C(=O)N2C[C@@H](C)CC(C)(C)C2)CCCCC1 788251022 YXGSCLJLJNMVJE-HNNXBMFYSA-N 275.436 3.855 30 20 CHED CC(C)[C@@H](C)N(C(=O)CCCC#N)c1ccccc1 894225955 MRSKXSKEOVRIOW-CQSZACIVSA-N 258.365 3.758 30 20 CHED CC1(C)CC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C1 781749648 FPBGILSKCBWWIK-VXGBXAGGSA-N 281.359 3.565 30 20 CHED C=CCCC(=O)OC[C@@H](OC(C)C)c1ccccc1 795369314 GUSTXMSPYRCOGC-OAHLLOKOSA-N 262.349 3.662 30 20 CHED C=C(C)CCN1CCO[C@H](c2ccccc2Cl)C1 509702240 YWBAFJUWIVKINB-HNNXBMFYSA-N 265.784 3.680 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc1C#N 799647681 AHKGQTGIYWOMGV-KSSFIOAISA-N 290.366 3.700 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2ccc(C)c(C#N)c2)C1 799650705 LONXJVHUXDMWJH-SFHVURJKSA-N 284.403 3.909 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1cc(C)n(C)n1 799886713 ZFUGILWOBQVRNX-UHFFFAOYSA-N 297.189 3.871 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1ccccc1Cl 187513459 RLQFRUFIPCCFSP-UHFFFAOYSA-N 292.810 3.813 30 20 CHED C#Cc1ccccc1C(C)=NNc1cccc(Cl)n1 793163115 XOCYBHCMVAEWMO-UHFFFAOYSA-N 269.735 3.552 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](C)c1ccc(SC)cc1 798546376 VVZCEJYTNNRTBJ-GXTWGEPZSA-N 290.432 3.571 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2cc(C)ccc2[nH]1 577168656 JCPIEZSSHZPOLX-CQSZACIVSA-N 268.360 3.657 30 20 CHED C=C(C)COC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798783001 CASDZLLPLLZMPX-JTQLQIEISA-N 272.266 3.928 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NNc1ncccc1F 794989913 JKIYMBLTWWRBBB-UHFFFAOYSA-N 294.333 3.635 30 20 CHED CCc1cccc(NC(=O)Nc2cccc(CC#N)c2)c1 1202885643 FUVISJFJUUFYTO-UHFFFAOYSA-N 279.343 3.959 30 20 CHED COc1ccc([C@@H]2C[C@H]2Nc2ccc(F)cc2C#N)cc1 795259354 XJYVDCCCHYVDIS-DOTOQJQBSA-N 282.318 3.674 30 20 CHED COc1cccc(NN=C2CCC[C@H](c3cccnc3)C2)n1 799884137 FQHGDNJIEHZRSJ-ZDUSSCGKSA-N 296.374 3.611 30 20 CHED C#C[C@H](OC(=O)[C@H](C)Oc1ccc2ccccc2c1)C1CC1 796790522 NNHBMGWCUWCMAJ-UGSOOPFHSA-N 294.350 3.562 30 20 CHED C#CCCCCC(=O)OCCOc1ccc(Cl)c(F)c1 791440001 SCSUYIXNJTZONU-UHFFFAOYSA-N 298.741 3.595 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@](C)(OC)CC1 793121157 NUEYZDOCMRAJIE-KRWDZBQOSA-N 298.471 3.948 30 20 CHED CCC(=NNc1cc(Cl)nc(C)n1)c1cccc(C)c1 794912009 VJFHVICCOOCEJT-UHFFFAOYSA-N 288.782 3.973 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1c(C)cc(C)cc1O 799865675 KEFRNHZRBSFWBC-UHFFFAOYSA-N 299.330 3.753 30 20 CHED CC#CCCOc1cccc(F)c1C(=O)OCCCC 794729697 YZOGXRBRTJANLT-UHFFFAOYSA-N 278.323 3.575 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1ccc(-n2ccnc2)cc1 793111297 FRCGJIIWICFVSL-AWEZNQCLSA-N 284.407 3.621 30 20 CHED C=CCN(CCC#N)C(=S)Nc1cccc(C(C)C)c1 793247098 MIPRTYGPRHECKO-UHFFFAOYSA-N 287.432 3.908 30 20 CHED CC[C@H](C)n1ncc(NC(=O)c2ccc(C)c(C#N)c2)c1C 799729392 LISAIXOVKPPOHQ-LBPRGKRZSA-N 296.374 3.595 30 20 CHED O=C1/C(=C\c2ccc(C(F)F)cc2)Oc2cc(O)ccc21 794936579 BPLHVOQPJDCPMX-VGOFMYFVSA-N 288.249 3.946 30 20 CHED FC(F)c1ccc(C=NNc2ccc3[nH]ncc3c2)cc1 794530015 IKEZQODQOKGZHV-UHFFFAOYSA-N 286.285 3.947 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(OC(C)C)c(C(N)=O)c1 793379697 VYYLEGJZHKLTKL-CHWSQXEVSA-N 290.407 3.585 30 20 CHED CCCCCCCCN1CCC[C@H](n2ccnc2)C1 740876937 PEHQCUJVQZXQJD-INIZCTEOSA-N 263.429 3.881 30 20 CHED CCCCCCCCN1CCC(CN(C)C)CC1 740876777 FAKFUMNSBIQXFI-UHFFFAOYSA-N 254.462 3.621 30 20 CHED CC(CCCC(F)(F)F)=NNc1cccc(F)n1 795009948 QABOIHPTWRKKNB-UHFFFAOYSA-N 263.238 3.741 30 20 CHED C=CCC(C)(C)C(=O)OCc1nc2ccccc2s1 796462373 ZAQREWDZHUJWJL-UHFFFAOYSA-N 275.373 3.942 30 20 CHED CCc1cccc(C)c1NN=C(C)[C@H]1CCCOC1 799495020 OGISWBQLFAPOLI-HNNXBMFYSA-N 260.381 3.772 30 20 CHED Cc1cccc(C)c1C=NNc1cccc(F)c1[N+](=O)[O-] 790310683 KRZUVZPZGOFAFH-UHFFFAOYSA-N 287.294 3.797 30 20 CHED Cc1ccc(C(=O)CSc2ccc(C#N)cc2)s1 1307293066 OBZMZOYLIYISTR-UHFFFAOYSA-N 273.382 3.903 30 20 CHED CCOC(=O)[C@@H](CC)Sc1ccc(Cl)cc1C#N 1165754632 IFEIPVGTINVSPB-LLVKDONJSA-N 283.780 3.645 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC(C(C)C)C(C)C 1310418763 SKPIUYVCFIGUBM-UHFFFAOYSA-N 287.407 3.916 30 20 CHED CCC[C@H](NC(=O)Nc1cccc(C#N)c1C)C1CCC1 1310419507 STTWXSZROPYKJN-INIZCTEOSA-N 285.391 3.957 30 20 CHED CC1(NC(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1310783177 BZFPLQRMNYSVMC-UHFFFAOYSA-N 277.393 3.591 30 20 CHED O=C(CC#Cc1ccccc1)OCc1ccc(Cl)s1 1319228373 SRQSHDNFEVNTSF-UHFFFAOYSA-N 290.771 3.887 30 20 CHED Cc1nc(C(=O)OCC[C@H]2CCC[C@@H](C)C2)ccc1C#N 1319074026 WCYIALCCKBJCLW-TZMCWYRMSA-N 286.375 3.635 30 20 CHED N#Cc1ccnc(/C=C\c2ccccc2OC(F)F)c1 1321461492 KCIBAOVYRMMFHO-WAYWQWQTSA-N 272.254 3.725 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)[C@@H](C)c1ccccc1 1327980780 MLOAUILJOYQTFN-NEPJUHHUSA-N 284.384 3.542 30 20 CHED Cc1ccc(COC(=O)CC#Cc2ccccc2)cc1F 1328673687 YBHXJPVOWJTOIA-UHFFFAOYSA-N 282.314 3.619 30 20 CHED Fc1ccccc1NN=Cc1ccc(N2CCCC2)cc1 1321646706 VRPPZVAXLXDCRZ-UHFFFAOYSA-N 283.350 3.872 30 20 CHED Cc1cc(C)c(/C=C/CN(C)[C@@H](C)CC#N)c(C)c1 1180030814 QADUBWLGLPGCDS-MOEXGYKKSA-N 256.393 3.859 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)OCc1ccc(C#N)cn1 1324641504 KQXUQHGHJOEIQG-HNNXBMFYSA-N 286.375 3.603 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC(C2CCCCC2)C1 1327912560 BULVISPUOPIVMR-UHFFFAOYSA-N 282.387 3.519 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1ccccc1SC 1336482542 ZRQXKAVNEGMTHU-GFCCVEGCSA-N 263.406 3.942 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@H]1c1ccsc1 1335398067 OKSRIWZUBIIJGE-INIZCTEOSA-N 296.395 3.906 30 20 CHED Cc1cc(N(C)Cc2cccc(Cl)c2)ncc1C#N 1184515990 JKRRAAQUBJPLGJ-UHFFFAOYSA-N 271.751 3.552 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1cccc(CC#N)n1)CC2 1332572052 LFYGURGRNDCITP-INIZCTEOSA-N 263.344 3.556 30 20 CHED C=C(C)CCC(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1 1338927887 ZQCSNILTEJUJLH-HNNXBMFYSA-N 289.419 3.689 30 20 CHED Cc1nc(C#N)cc(Nc2ccc(OCCC(C)C)cc2)n1 1185497716 JATBZUMINNFROW-UHFFFAOYSA-N 296.374 3.825 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc(CC(C)C)o1 1345564419 XGUBCJPYFWNYBU-CQSZACIVSA-N 256.349 3.976 30 20 CHED Cc1coc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1C 1341089709 ZNKYNGJWRUPJJG-GFCCVEGCSA-N 269.300 3.686 30 20 CHED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@H]2F)cc1 1264522210 ZIRZOIQJDVXOCU-BRWVUGGUSA-N 294.329 3.639 30 20 CHED CC[C@H](F)C(=O)O[C@@H](c1cccs1)[C@@H](C#N)CC 1344256451 DVKBZGVFIBNKOX-JFGNBEQYSA-N 269.341 3.630 30 20 CHED CSc1ccc(/C=C\C(=O)OCC(C)(C)C#N)s1 1344700039 YZGGIHXNWFZHJX-XQRVVYSFSA-N 281.402 3.576 30 20 CHED C=C1CCN(c2nnc([C@H]3CC=CCC3)n2CC2CC2)CC1 1348163666 NHNWFHCWCGDKPB-INIZCTEOSA-N 298.434 3.668 30 20 CHED N#CC1(CN[C@@H]2CCCc3c(Cl)cccc32)CC1 1262160497 HHKBDTIJMPEKRL-CQSZACIVSA-N 260.768 3.611 30 20 CHED Cc1cc([C@@H](C)NC(=O)[C@H](CC#N)c2ccccc2)c(C)o1 1351824591 OMQUWJFRKLKHQZ-CZUORRHYSA-N 296.370 3.771 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2ccccc2C)c1 1275797133 QWQJXEONWNKQJQ-AWEZNQCLSA-N 278.355 3.917 30 20 CHED C#CCCCC(=O)N(CC(C)(C)C)c1cccc(C)n1 1350176152 PBMJOUFSPNFNSI-UHFFFAOYSA-N 272.392 3.573 30 20 CHED C=C(C)CCC(=O)Nc1cncc(Cl)c1Cl 1517916168 GQSMPDLKOXFDDB-UHFFFAOYSA-N 259.136 3.683 30 20 CHED CCC[C@H](Sc1ccc(C#N)c(C)c1)C(=O)OCC 1459142220 MXJHESOTNDRQQJ-AWEZNQCLSA-N 277.389 3.691 30 20 CHED C[C@H]1CC=CC[C@H]1COC(=O)C1(c2cccc(C#N)c2)CC1 1523861701 BXQQAWTUYVQZCB-HOCLYGCPSA-N 295.382 3.735 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1526782536 YVJHOABLSZTPSJ-HOTGVXAUSA-N 284.403 3.578 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 1520854140 LSRXAVOGBQPCLA-GXTWGEPZSA-N 293.370 3.871 30 20 CHED C=C(CC(C)C)C(=O)Nc1cnc(Cl)cc1C 1521260514 IQFGBWIEXORWHT-UHFFFAOYSA-N 252.745 3.584 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2cc(C#N)c(F)cc2F)CC1 1535439512 LUUWKOASICLWLN-MGCOHNPYSA-N 278.302 3.601 30 20 CHED C=CC[C@H](S[C@H]1CCCc2ccccc21)C(=O)O 1602849955 SBWWLRKUSGYRGA-KBPBESRZSA-N 262.374 3.827 30 20 CHED Cc1sccc1NC(=O)c1cccc(SCC#N)c1 1531808138 BUSKZLHIFQBZFG-UHFFFAOYSA-N 288.397 3.925 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1ccccc1CC(=O)O 1602855618 VTYMJZCWYJQAJB-YOEHRIQHSA-N 287.403 3.538 30 20 CHED Cc1ccccc1-c1noc(-c2ccc(C#N)s2)n1 226760717 KCEZQNDIUCEIPL-UHFFFAOYSA-N 267.313 3.645 30 20 CHED Cc1nnc(N2CCC[C@@H](C3CCCCC3)C2)c(C#N)c1C 1612647855 CLMJRHBYUAPBRI-MRXNPFEDSA-N 298.434 3.762 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1ccc(C#N)c(O)c1 1629934949 NOBZUEAELWTKIW-ZDUSSCGKSA-N 288.391 3.600 30 20 CHED C#CCCCCC(=O)N(CC1CCCCC1)C1CC1 119661209 FIZKEECCIAVGGB-UHFFFAOYSA-N 261.409 3.751 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccc(O)cc1 5128100 ZVDVRMOLMBTVBS-FMIVXFBMSA-N 268.312 3.687 30 20 CHED Cc1ccc(N(CCO[C@@H](C)C#N)CC(C)C)c(C)c1 1646924402 XSGZSTRLIBRERK-INIZCTEOSA-N 274.408 3.695 30 20 CHED CCc1ccc(CN(CC(C)C)c2ccc(C#N)nn2)cc1 1655598818 YWOZKMIUOKGNLP-UHFFFAOYSA-N 294.402 3.573 30 20 CHED C=CCC[C@H](C)N1CC[C@H](c2ccccc2C(=O)O)C1 1776165868 JBTHZCXGDWHAPU-KBPBESRZSA-N 273.376 3.529 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cccc(CC(=O)O)c2)c1 1776133866 WVRISVGFHNHCAB-CMDGGOBGSA-N 294.350 3.827 30 20 CHED C[C@H]1CC[C@@H](C)C(=NNc2ccc(C(=O)O)c(F)c2)C1 1776075618 UACBUTNWBWBTRS-VHSXEESVSA-N 278.327 3.748 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C(=O)O)c1ccccc1 1776180848 XLSUYGNBHGUPEJ-QGZVFWFLSA-N 281.355 3.501 30 20 CHED C=CCc1ccccc1CN(CC(=O)O)Cc1ccccc1 1776189069 GLCKNRGCOOKLMS-UHFFFAOYSA-N 295.382 3.502 30 20 CHED CC(C)CON=Cc1c(F)ccc2sc(C(=O)O)cc12 1776112301 ZOJSGQIMJGYRLP-UHFFFAOYSA-N 295.335 3.745 30 20 CHED C#CCOc1ccccc1OCc1csc(C2CC2)n1 153262457 LTLNNLLCWBYJGU-UHFFFAOYSA-N 285.368 3.612 30 20 CHED C=CCN(C)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 157317254 GMCBLZSNKSUTDD-UHFFFAOYSA-N 292.427 3.585 30 20 CHED CC(C)(C#N)CCN(Cc1ccccc1F)C1CC1 157446620 GXTLRWPDMSSZNU-UHFFFAOYSA-N 260.356 3.730 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1sccc1C#N 154388688 WUTPRDQXMHOMIM-WDEREUQCSA-N 288.397 3.732 30 20 CHED C[C@H](N[C@H]1CC[C@H](C)CC1)c1ccc(OCC#N)cc1 128561251 MONWLGXUPIJSCH-OFQRWUPVSA-N 272.392 3.818 30 20 CHED CC1(C)CC(Nc2ccnc(C#N)c2)CC(C)(C)C1 125661052 OPMWNGCUBXYQQC-UHFFFAOYSA-N 257.381 3.970 30 20 CHED C#Cc1cccc(CN[C@@H](CC)c2ccsc2)c1 834904148 VQDAPJWEURMPFL-INIZCTEOSA-N 255.386 3.970 30 20 CHED CC(C)(C#N)CCCNc1cc(F)c(F)c(F)c1F 871856288 MMEVPQCIGIENAN-UHFFFAOYSA-N 274.261 3.985 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1cccc(F)c1 42336077 RHBNTAHIEYHNNQ-LLVKDONJSA-N 272.298 3.687 30 20 CHED Cc1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1F 157490943 WWHISTUWCUZBPJ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1ccc(OCCCOCC(F)(F)F)cc1Cl 190247375 CEMFJJQFKUDIIB-UHFFFAOYSA-N 293.672 3.559 30 20 CHED N#Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1F 307962105 MVZAYLCLWAFLKM-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCCc1ccccc1Nc1cc(C#N)nc(CC)n1 308389040 WUCAZLCWXIFNRU-UHFFFAOYSA-N 266.348 3.607 30 20 CHED CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 404186284 DWUYHRSDSUYAIK-AWEZNQCLSA-N 260.356 3.565 30 20 CHED C=CCC1(NC(=O)c2cc(O)ccc2Cl)CCCC1 619110512 GVBBGPFEZVLRRG-UHFFFAOYSA-N 279.767 3.664 30 20 CHED Cc1nc(C)c([C@H](C)NCc2ccc(C#N)c(F)c2)s1 361753345 IJLYZWMHNFECJT-VIFPVBQESA-N 289.379 3.622 30 20 CHED N#Cc1cc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 494695808 UIUXDVVBZOQNBU-SDDRHHMPSA-N 288.778 3.976 30 20 CHED C=C(C)CCN[C@H](c1ccccc1)c1ccccn1 386934936 UOAMYOZZJXJSRR-QGZVFWFLSA-N 252.361 3.727 30 20 CHED COc1ccc(C=NOCc2ccccc2)cc1Cl 741457158 FVELSFHWWROYHB-UHFFFAOYSA-N 275.735 3.899 30 20 CHED C(=NNCc1ccccc1)c1cnc(C2CCC2)s1 760234238 ZAFDUMAGCXKOHW-UHFFFAOYSA-N 271.389 3.534 30 20 CHED C=CCN(C[C@H](O)c1ccc(Cl)cc1)C(C)(C)C 852554396 LJWNGKQTDJFWRL-AWEZNQCLSA-N 267.800 3.660 30 20 CHED C=CCSc1nn(-c2ccccc2)c(=S)s1 6820088 DBNYJQNCNYHGLD-UHFFFAOYSA-N 266.416 3.941 30 20 CHED CCCN(CC#N)C(=O)c1cc2c(ccc3ccccc32)[nH]1 56485111 ILJHJMCJHLFWFA-UHFFFAOYSA-N 291.354 3.697 30 20 CHED N#CCC1(COC(=O)Cc2cccc3ccccc23)CC1 174756360 RLQJQQQAQVNKRR-UHFFFAOYSA-N 279.339 3.619 30 20 CHED CCCc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1 176810243 IWNIPVMKQCSULZ-UHFFFAOYSA-N 285.391 3.797 30 20 CHED C=CCN1CCC(N[C@H]2CC[C@H](C)c3ccccc32)CC1 177910600 JUPGOBVQZOBEDS-KXBFYZLASA-N 284.447 3.865 30 20 CHED O=C1/C(=C\c2cccs2)COc2ccc(F)cc21 109196161 LEZCLJVHAZHOPC-TWGQIWQCSA-N 260.289 3.546 30 20 CHED C=CC[C@H](C)NC(=O)COc1ccccc1[C@H](C)CC 116863156 ZJKWICQWOKFGHU-KGLIPLIRSA-N 275.392 3.660 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2C)CC1 178558732 OBXGRDFIBYNSPR-CQSZACIVSA-N 285.391 3.911 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc(F)cc1F 54802432 VHASCEBEFLCCMK-ORCRQEGFSA-N 286.277 3.796 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 108792029 YAESZPKQCOMMID-ZHALLVOQSA-N 292.382 3.752 30 20 CHED C=CCCCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 175379038 NIZOYQXASFKPCB-OAHLLOKOSA-N 293.794 3.596 30 20 CHED COCc1ccccc1N[C@H](C#N)C1CCCCC1 115606063 CHTWTUQHNHGSOU-MRXNPFEDSA-N 258.365 3.717 30 20 CHED N#Cc1ccc(C(=O)N2CCCc3cccc(Cl)c32)cc1 171355266 YRYAPKZBZGPRFB-UHFFFAOYSA-N 296.757 3.805 30 20 CHED C=C(C)C/N=C(\N)N[C@H](C)c1ccc(Cl)cc1Cl 114087793 UUZQGRAGOCERNK-SECBINFHSA-N 286.206 3.535 30 20 CHED CCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 101749440 CSRQJJBPBFOZOJ-UHFFFAOYSA-N 295.342 3.834 30 20 CHED CC(C)(C#N)CCCNC(C)(C)c1ccc(F)cc1 174846341 PTUOSZDZCGRHKT-UHFFFAOYSA-N 262.372 3.980 30 20 CHED CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](C)C(C)C 175697747 JVYFHPSTBWWROC-ZDUSSCGKSA-N 290.432 3.809 30 20 CHED C#CCCCNC(=O)Nc1ccc2ccn(CCC)c2c1 173464558 KIPSZDQTPAFKSD-UHFFFAOYSA-N 283.375 3.586 30 20 CHED CC[C@H](CNc1ccc(C#N)nc1)c1ccccc1 301576237 MGPUMIPDVAMEDC-CYBMUJFWSA-N 251.333 3.559 30 20 CHED CSc1ccc(Cl)c(C(=O)OCC2(CC#N)CC2)c1 174743534 DRIIRWJPHKLLSZ-UHFFFAOYSA-N 295.791 3.913 30 20 CHED CCN(Cc1cccc(F)c1)c1ccc(Cl)c(C#N)n1 301184498 STEXDKMAQBNTNT-UHFFFAOYSA-N 289.741 3.772 30 20 CHED C=CC1CCN(Cc2ccc(OC)c(COCC)c2)CC1 179613281 XBILSMGYXZPFQZ-UHFFFAOYSA-N 289.419 3.630 30 20 CHED N/C(=N/Cc1ccc(F)c(Cl)c1)NC1CCCCCC1 305742478 IBBXSSJQNRQMCI-UHFFFAOYSA-N 297.805 3.606 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Oc1cccc2[nH]ccc12 174724329 SHTTVTBIHGYFCG-CMDGGOBGSA-N 288.306 3.658 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCC3CC3)c2c1 301520162 LBAJPMFCCKMEEQ-UHFFFAOYSA-N 251.333 3.545 30 20 CHED C=C[C@H](CC(=O)Nc1cnc(C2CC2)nc1)c1ccccc1 129097438 YOXYNRXAYFCGQK-CYBMUJFWSA-N 293.370 3.652 30 20 CHED CC(C)(C#N)CCN1CCSC[C@H]1c1ccccc1 119925824 PSZCPDVAEMBVAU-HNNXBMFYSA-N 274.433 3.716 30 20 CHED CC[C@H](c1ccccc1)S(=O)(=O)CCCC(C)(C)C#N 178169135 NSNNTKVVXOEOLF-OAHLLOKOSA-N 293.432 3.882 30 20 CHED C#CCCCNC(=O)N(CCc1ccccc1)C1CCCC1 173332259 MDGBVHORRCGZHG-UHFFFAOYSA-N 298.430 3.597 30 20 CHED CC(C)c1ccc(NC[C@@H](O)c2ccc(C#N)cc2)cc1 37877321 VVXPVQBWXIKVAY-GOSISDBHSA-N 280.371 3.827 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)OCCC(C)C 121371727 VTXDNTLXWKUNNZ-AWEZNQCLSA-N 295.448 3.714 30 20 CHED CCN(CCc1ccncc1)[C@H](C)c1ccc(C#N)cc1 65432938 FCTKCVRESWHETM-OAHLLOKOSA-N 279.387 3.579 30 20 CHED C#CCCCN[C@H](CC)c1cc(Br)ccc1O 186218762 UIJDQFKXDIXIKB-CYBMUJFWSA-N 296.208 3.609 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1cccc(Cl)c1Cl 125040991 BGLZOGLSRZUANU-VIFPVBQESA-N 289.158 3.880 30 20 CHED CC(C)c1nc(N(C)[C@@H](C)CC#N)cc(C(C)(C)C)n1 302783882 UJMKQENVNOFIAV-LBPRGKRZSA-N 274.412 3.636 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc(-c3cnco3)c2)C1 185718116 OGLZBVFIHBOOTP-JSGCOSHPSA-N 267.332 3.836 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc(C)c(F)c2)no1 188015477 PBFFUHUCVKQNSG-MRXNPFEDSA-N 290.338 3.664 30 20 CHED C=CCSCCN[C@@H](C)c1cc(C)sc1C 129338692 XEGNNJUVHFYJMH-NSHDSACASA-N 255.452 3.935 30 20 CHED C=CCCC[C@H](C)NCC1=Cc2ccccc2OC1 182683651 GIXPBNPSKQHSDO-AWEZNQCLSA-N 257.377 3.797 30 20 CHED CC(C)(C)c1ccc(O)c(NC(=O)C2(C#N)CCCC2)c1 123824382 ROZUCXUGBKFUCV-UHFFFAOYSA-N 286.375 3.712 30 20 CHED C=CCSCC(=O)Nc1cccc(Cl)c1Cl 71530567 YPDSLLYIQCCGKJ-UHFFFAOYSA-N 276.188 3.851 30 20 CHED N#CCCCCN1CC[C@@H](CSc2ccccc2)C1 75964792 PGNIOXWCJPPQQB-OAHLLOKOSA-N 274.433 3.794 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cc(F)cc(Cl)c2)C1 185737463 FCDGIIIZIWNGPS-CABZTGNLSA-N 252.720 3.973 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(CC)(CC)CC1 186898956 CURALFAQGQXJGT-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CCCCN1CCO[C@@H](c2cccc(Cl)c2)C1 185609506 UHHYXEHXKDIVOF-OAHLLOKOSA-N 265.784 3.680 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccnn1C(CC)CC 182590415 LITQQEVIWDVYCR-CYBMUJFWSA-N 277.412 3.719 30 20 CHED C=C(C)[C@@H](N[C@@H](CC)COC)c1ccc(F)c(F)c1 186449493 TVRQCBLJVMJMEJ-SWLSCSKDSA-N 269.335 3.597 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1cccc(O)c1 186292154 XCLRHRPHQRNHFE-AWEZNQCLSA-N 280.371 3.765 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1cccs1 35149992 PSCQAJFMVIKXJI-SNVBAGLBSA-N 260.337 3.610 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)CCSC 181112606 HLXPYNKEWKXWHC-CHWSQXEVSA-N 272.458 3.514 30 20 CHED N#Cc1ccc(C(=O)CSc2ncccc2Cl)cc1 70940159 KXDARZQODOHQEG-UHFFFAOYSA-N 288.759 3.582 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)cc1OCC(F)F 120395577 WNFKRJBEPPYYFZ-UHFFFAOYSA-N 299.292 3.602 30 20 CHED N#CCCSCc1nc2cc(Br)ccc2o1 413012491 FITGKXGAZDCPSC-UHFFFAOYSA-N 297.177 3.737 30 20 CHED C[C@H]1CC[C@@H](C)CN1C(=O)c1cccc(SCC#N)c1 79535291 IOXAAPAGWHNHCY-OLZOCXBDSA-N 288.416 3.563 30 20 CHED CC(C)(C#N)CCCSCc1nnc(C2CC2)s1 419596602 OAQDISPXYFHATJ-UHFFFAOYSA-N 281.450 3.979 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC)c1ccccc1OCC 180907665 JSOCENDFZLPALX-OAHLLOKOSA-N 290.407 3.754 30 20 CHED CC1(CC(=O)Nc2ccc(C#N)cc2)CCCCC1 509836188 NULZHTGBWUMSIP-UHFFFAOYSA-N 256.349 3.857 30 20 CHED Cc1c(C(C)(C)C)c(CC#N)nc2ccc(C#N)cc12 416392704 SXVZLECHBIHKFT-UHFFFAOYSA-N 263.344 3.778 30 20 CHED N#CCN(Cc1ccc(Cl)cc1)c1ccccc1 71079952 BHXGUYUAVRUFKF-UHFFFAOYSA-N 256.736 3.870 30 20 CHED C[C@@H](NCc1ccnc2ccccc12)c1ccc(C#N)cc1 315905135 UBMNQCKDOYIUEW-CQSZACIVSA-N 287.366 3.957 30 20 CHED C=CCOCCCC(=O)Nc1ccc(CCSC)cc1 79959199 YVNVBEIVKIKCET-UHFFFAOYSA-N 293.432 3.513 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCC(C)(C)O1 184653245 TYTVNEPDRHDWGK-QGZVFWFLSA-N 286.419 3.726 30 20 CHED C[C@H](C#N)CN(C)CCSc1ccc(Cl)cc1 506937576 BREDVUQDISAYCI-LLVKDONJSA-N 268.813 3.524 30 20 CHED O=C1CCC(/C(O)=N/C2(c3nccs3)CCCC2)CC1 329943829 IBIACVQOIXTPBG-UHFFFAOYSA-N 292.404 3.628 30 20 CHED C[C@H](OC(=O)c1csc2ccccc12)C(C)(C)C#N 130891436 NFTNEFOQCIACQM-JTQLQIEISA-N 273.357 3.996 30 20 CHED C=CCC[C@H](NC(=O)c1ccoc1)c1ccccc1 134001644 QMXGDKUIBNZNBK-HNNXBMFYSA-N 255.317 3.717 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C1(c2ccccc2)CCCC1 509724422 MRGPCKBZCUANFI-OAHLLOKOSA-N 284.403 3.507 30 20 CHED CC(C)CC1(C/N=C(/O)c2cc3nc[nH]c3cc2F)CC1 329181221 DRXMSBPEBWSWNV-UHFFFAOYSA-N 289.354 3.833 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2sccc2C)SC1=S 48402755 CIKIGMMWZVFUDE-IZZDOVSWSA-N 295.454 3.834 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(-c2ccc[nH]2)cs1 424642779 LITGDJMQAQKRDT-UHFFFAOYSA-N 275.377 3.679 30 20 CHED CC(C)=CCNCc1cn(CCC#N)nc1-c1ccccc1 191630826 CFWAZRPFFBEGTQ-UHFFFAOYSA-N 294.402 3.520 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCC1 191843716 LMHXDPLRPSUFPR-UHFFFAOYSA-N 297.354 3.786 30 20 CHED C=CCCC1(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)CC1 427597266 SLHMLEONZQSTPI-AWEZNQCLSA-N 259.393 3.524 30 20 CHED CCCCN(C)c1ccc(NCc2ccc(C#N)o2)cc1 131167481 PBMNUIRWFZVIRP-UHFFFAOYSA-N 283.375 4.000 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425449840 TZHIOSFKAWMOTR-JJXSEGSLSA-N 291.439 3.583 30 20 CHED C[C@H](CNc1nc2c(cc1C#N)CCC2)c1ccc(F)cc1 513178214 MIOIEHCZOXYJRE-GFCCVEGCSA-N 295.361 3.797 30 20 CHED C[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(C#N)c(Cl)c1 135309564 RTXRDAZZRHGNSV-AOOOYVTPSA-N 277.755 3.616 30 20 CHED C=C[C@@H](CC(=O)N(C)c1cccc(C)n1)c1ccccc1 135020446 VMJGPHSROAWFGC-HNNXBMFYSA-N 280.371 3.713 30 20 CHED CCN(CCC#N)C(=O)c1ccccc1Nc1ccccc1 133541860 KQUXHKUJNCGPLS-UHFFFAOYSA-N 293.370 3.806 30 20 CHED CC[C@@H](OC1CCCC1)C(O)=Nc1cccc2c1OCO2 329491028 ZAYGRVNYFCMGOB-CYBMUJFWSA-N 291.347 3.741 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1ccc(F)c(C#N)c1 136240654 VBPNBLXZVKNBEB-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C=CCC[C@@H](CC)NCCc1nnc(C(C)C)s1 426294201 IXEXFKJOXGCHFM-GFCCVEGCSA-N 267.442 3.538 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCCC[C@H]1C 424728811 AWFLSJVXVCQXGS-RISCZKNCSA-N 256.349 3.632 30 20 CHED C=C[C@H](C)NC1CC(c2ccc(Br)cc2)C1 229325516 SHEBPTRQTNDBMV-JKDOVBDQSA-N 280.209 3.859 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 84591214 NMJSUXIJQRUBMD-GUYCJALGSA-N 280.371 3.752 30 20 CHED CC[C@@H](C)CN(C)c1ccc(F)cc1CN(CC)CC#N 511525883 WYGVAPQMSJNNHC-CQSZACIVSA-N 291.414 3.653 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1c(C)cc(C)nc1C 334707334 ZUMXGHZYHNSYTE-CQSZACIVSA-N 273.380 3.579 30 20 CHED CCN(Cc1c[nH]c2ccccc12)[C@@H]1CC[C@@H](C#N)C1 339113675 IIAOFOMTMFKAMR-UKRRQHHQSA-N 267.376 3.682 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)NCC(C)(C)CCC#N 513146120 BWNSZNPANODIQR-HUUCEWRRSA-N 293.455 3.927 30 20 CHED Cc1cc(CN2CCC[C@H]2c2ccncc2)ccc1C#N 335996964 JXHGMYBJZCHOII-SFHVURJKSA-N 277.371 3.599 30 20 CHED C=C(CNC(=O)N(C)[C@H]1CC[C@@H](C)C1)c1ccccc1 512677606 LJFAYNLXBRVBEI-CJNGLKHVSA-N 272.392 3.530 30 20 CHED Cc1[nH]c2c(C(=O)N3CCC(CC#N)CC3)cccc2c1C 334198066 LRKMPJQPKHIZLL-UHFFFAOYSA-N 295.386 3.551 30 20 CHED C[C@]1(CNCc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 339450244 QFNNJTPPTMZVNA-RTBURBONSA-N 276.383 3.842 30 20 CHED CC1(C)CC[C@@H](CNC(=O)C2(C#N)CCC2)c2ccccc21 91761975 RCNSDFWHVFAEIC-AWEZNQCLSA-N 296.414 3.652 30 20 CHED CC[C@@H]1CCCN1C(O)=Nc1cc([N+](=O)[O-])c(C)cc1C 330909956 FETJIQOLEYRKAM-GFCCVEGCSA-N 291.351 3.632 30 20 CHED Cc1csc(NC(=O)[C@@H](C)c2ccccc2)c1C#N 335142194 WNNVBNZOOJASPQ-NSHDSACASA-N 270.357 3.670 30 20 CHED Cc1cccc(/C=C2\CCc3oc(C(=O)O)c(C)c3C2=O)c1 141558861 ZXGLVOFXPFABJS-UKTHLTGXSA-N 296.322 3.807 30 20 CHED CC(C)OCc1cccc(NC(=O)c2cccc(C#N)c2)c1 145917976 YDGWBKTWAHJVLF-UHFFFAOYSA-N 294.354 3.736 30 20 CHED CC(=O)c1cc(NCc2cccc(F)c2C#N)ccc1F 427423059 YGBPDJOQSKRKTQ-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C#CCCCCN[C@H](C)c1cc(Cl)c(OC)cc1OC 90397747 CGXGHTAOUQHTPH-GFCCVEGCSA-N 295.810 3.811 30 20 CHED CC(C)c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 335942405 KSRNTUUCFNPPTA-UHFFFAOYSA-N 273.311 3.530 30 20 CHED N#CCc1cccc(C(=O)N2Cc3cccc(Cl)c3C2)c1 336392209 GYBOLCQPABSKTG-UHFFFAOYSA-N 296.757 3.562 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(C#N)cc1Cl 336106840 JEZVSZDBYRKWKB-NXEZZACHSA-N 277.755 3.616 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)[C@@H]1c1ccccc1 93867594 GKGRSPJBXLNEKI-WBMJQRKESA-N 268.385 3.813 30 20 CHED C#CCCCCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 90398110 RIXKZQKCRNUONJ-CQSZACIVSA-N 299.393 3.774 30 20 CHED CC[C@](C)(/N=C(/O)c1ncccc1C)c1nc(C)cs1 331178904 YFIDCNBEQFVJNG-HNNXBMFYSA-N 289.404 3.785 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(C)c2cn[nH]c12 433145749 RPXYXJAZSPRQOS-UHFFFAOYSA-N 286.379 3.595 30 20 CHED Cc1cc(C)c(C#N)c(S[C@H](C)c2ncc(C)o2)n1 336142114 OBWCNSJTEIYQFY-LLVKDONJSA-N 273.361 3.720 30 20 CHED C[C@H](C(=O)Nc1ccccc1C#N)c1ccc(F)c(F)c1 336446213 PMQLWHQZCMFSIS-JTQLQIEISA-N 286.281 3.579 30 20 CHED C=CC1CCN(c2cncc(-c3cccs3)n2)CC1 338668044 OZGZQYXHSWWMHG-UHFFFAOYSA-N 271.389 3.608 30 20 CHED Cc1cc(F)ccc1CN(C)c1c(C#N)cccc1C#N 436366921 HEQNFBZQLOWXDV-UHFFFAOYSA-N 279.318 3.514 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)C1 331032440 HVQDZTVAYJWEBG-HYVNUMGLSA-N 284.403 3.769 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2cc(F)ccc2C1 91893802 GAVNPYYHOPTJNL-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=C(C)CN1CCCc2c([nH]c3c(F)cccc23)C1 439463550 BXPVTUIWFMMGDZ-UHFFFAOYSA-N 258.340 3.631 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cccc(C#N)c1C 431715311 ZIBSLBOYLJNLFD-BXUZGUMPSA-N 271.364 3.519 30 20 CHED C=CCC1(C(=O)N2CCC(CCOC)CC2)CCCCC1 529631834 XBZRAXJCUWPGAW-UHFFFAOYSA-N 293.451 3.788 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2ccc(F)c(Cl)c2)n1 343201569 AHCLCWVRYNOHIH-UHFFFAOYSA-N 289.741 3.691 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N(C)C[C@@H](C)C#N 522391481 BFCOSYLTJCEOEV-HOCLYGCPSA-N 278.440 3.847 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)cc(F)c1OC 344042151 APXJABPAMGEFPR-CQSZACIVSA-N 269.291 3.514 30 20 CHED C[C@H]1CN(Cc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 246457692 FPRBBUZIEHXHLD-SCLBCKFNSA-N 280.346 3.890 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N1CCCC(C)(C)[C@H]1C#N 529170710 LPDAIHVZCFPFLO-DOTOQJQBSA-N 298.430 3.714 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCSc2c(Cl)cccc21 341871330 DFECFLWNYPHHKC-SMDDNHRTSA-N 297.851 3.651 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 602615264 XMLCSXXQZSSLQU-XOKHGSTOSA-N 290.382 3.575 30 20 CHED CC(C)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 345484712 MLGQSARUQMWZAN-AWEZNQCLSA-N 299.418 3.726 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 602310877 IFWPBLVCHNLPHH-GVDBMIGSSA-N 296.414 3.503 30 20 CHED CCCCCc1ccc(NC(=O)N2CC(C)(C#N)C2)cc1 439033185 KACLXWSFWZDTSQ-UHFFFAOYSA-N 285.391 3.797 30 20 CHED C=CCC(C)(C)CNC1CCC(c2nc(CC)no2)CC1 340429629 KWOQCUJMIHDVAE-UHFFFAOYSA-N 291.439 3.850 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 604900797 KNNNZNNRFGERMP-VIQHNZTISA-N 290.451 3.951 30 20 CHED CS[C@H](C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 340556234 IBPOEOVCTWERDO-CQSZACIVSA-N 295.407 3.776 30 20 CHED Cc1ccccc1Oc1ccccc1CNC(=O)[C@@H](C)C#N 347105265 BJOZAGWFTBBSBS-AWEZNQCLSA-N 294.354 3.563 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccsc1 255540239 BBFRECSVZGMKCV-UPHRSURJSA-N 265.315 3.614 30 20 CHED Cc1ccnc(N(C)[C@H](C)c2c(F)cccc2F)c1C#N 343513066 QFEQFHQVOUYSTH-LLVKDONJSA-N 287.313 3.737 30 20 CHED Cn1cc(CNc2ccc(F)c(C3CC3)c2)cc1C#N 341569233 SPHPKFTXCQQYLQ-UHFFFAOYSA-N 269.323 3.525 30 20 CHED N#Cc1cc(NC(=O)CCCc2cccs2)ccc1F 51637648 PYVNENUZFIKPNZ-UHFFFAOYSA-N 288.347 3.720 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(F)c(C#N)c2)C1(C)C 609102412 PESYHSADSYDFEN-DZGCQCFKSA-N 286.350 3.874 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2ncccc21 601278351 SCEOTPIOWKVEIZ-RTBURBONSA-N 289.382 3.608 30 20 CHED C[C@H](C#N)C(=O)Nc1nc2ccccc2n1C1CCCCC1 345790134 TYZVFJRWMVQTGE-GFCCVEGCSA-N 296.374 3.640 30 20 CHED C=CCOc1cccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1 448785842 XHSAKZFSRRLWEU-DVOMOZLQSA-N 271.360 3.626 30 20 CHED C=CCCCCCN(C)c1ncc(C#N)cc1Cl 523535895 QLUMIODQLYASDO-UHFFFAOYSA-N 263.772 3.789 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(CC2(C#N)CC2)C1 343317086 BULMSKCHAKHHGU-WFASDCNBSA-N 258.340 3.512 30 20 CHED CCC1(C)CCN(Cc2ccc(C#N)cc2OC)CC1 347267657 SZKHEJLTTSMLAW-UHFFFAOYSA-N 272.392 3.579 30 20 CHED Cc1ccc(-c2nnc([C@H](C)N(C)C[C@H](C)C#N)o2)cc1C 344344579 CZFBAPRLGOVPNQ-RISCZKNCSA-N 298.390 3.506 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](C)C#N 609921919 WHPQPYWFNWAEBE-CABZTGNLSA-N 299.201 3.590 30 20 CHED CCN(CCC(F)(F)F)Cc1cn2ccccc2c1C#N 604525323 ODNWJLHAHXZZLF-UHFFFAOYSA-N 295.308 3.585 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2ccc(O)cc2)cc1OC 255125101 UPCPYDSETXPDHG-TWGQIWQCSA-N 298.338 3.614 30 20 CHED Cc1cc(C)nc(NN=Cc2ccc(C(F)(F)F)cc2)n1 254508291 JDYCFHVZYSWQPR-UHFFFAOYSA-N 294.280 3.558 30 20 CHED C=CCC[C@@H](CCC)NC[C@H](c1ccccc1)c1nc[nH]n1 449670888 QMKDJVNXYLMHFI-IAGOWNOFSA-N 298.434 3.661 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1C)C(C)(C)C 531319714 LNLJEFZFYDPUPT-CQSZACIVSA-N 273.380 3.813 30 20 CHED N#Cc1ccc(SCCCCC(F)(F)F)nc1 269748035 OYFUIWUGUPUOFE-UHFFFAOYSA-N 260.284 3.778 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(C#N)c1 538267761 PYYPRTRKNUJSHD-OAHLLOKOSA-N 290.794 3.862 30 20 CHED COc1cc(NC[C@@H](C)CCC#N)cc(OC)c1Cl 602687116 IMJTZNSZTJNFQW-JTQLQIEISA-N 282.771 3.709 30 20 CHED C[C@@H](Cc1ccccc1F)N[C@@H]1CCc2cc(C#N)ccc21 618806951 SMJPWDIUCGNFSD-ORAYPTAESA-N 294.373 3.905 30 20 CHED N#CC1(c2ccc(C(=O)N3CC[C@@H](CC4CC4)C3)cc2)CC1 359670086 MXDRWCMXTPAINW-HNNXBMFYSA-N 294.398 3.504 30 20 CHED C=CCN(C(=O)c1cncc(-c2ccccc2)c1)C1CC1 357964652 OSRNLILAGQOUMV-UHFFFAOYSA-N 278.355 3.539 30 20 CHED Cc1cc(CSCCC(=O)OC(C)(C)C)ccc1C#N 440589256 RSQGAIWUFYTBNK-UHFFFAOYSA-N 291.416 3.832 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N[C@H](C)c1ccc(C#N)cc1 538397970 HOILUFREVWUEPK-XYPHTWIQSA-N 286.419 3.803 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2ccc(OC(F)F)cc2)C1 618562187 FNBIGHZWVRZXLK-KGLIPLIRSA-N 294.345 3.502 30 20 CHED C=CCCC1(C(=O)NCc2ccc(OC)c(Cl)c2)CC1 356459553 NPXQBFZUWYLJNY-UHFFFAOYSA-N 293.794 3.711 30 20 CHED Cc1cc2cc(C(=O)N3CCC[C@](C)(C#N)C3)oc2cc1C 612233929 WKEAXXFUSXRQJE-GOSISDBHSA-N 296.370 3.816 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@H](C)C1 537339366 UCHICBWFNNKYQT-DOTOQJQBSA-N 271.404 3.680 30 20 CHED N#Cc1cc(F)ccc1NCCCc1cccs1 537663837 WSIVOCSPTBLCQS-UHFFFAOYSA-N 260.337 3.804 30 20 CHED CCc1nc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)cs1 264771953 PGKUTKUERROVLF-MRVPVSSYSA-N 292.795 3.799 30 20 CHED C=CC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 538729980 SZHYCCNSEGVEKL-UHFFFAOYSA-N 288.410 3.824 30 20 CHED COCCCCCN[C@H]1CCCCc2cc(C#N)ccc21 360834932 JKQFJVTYIGAJAP-SFHVURJKSA-N 286.419 3.732 30 20 CHED C[C@H](N[C@@H](C#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 610242369 QPTDYUHQAHIBKG-LRDDRELGSA-N 281.315 3.510 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 276319885 ONIPIHONDNCNNL-UHFFFAOYSA-N 271.364 3.528 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1C[C@H]1c1ccccc1Cl 452783146 LVUOHDOQTAARKO-STQMWFEESA-N 277.795 3.772 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1 270190231 ADYNFOZKYXDBLP-MRXNPFEDSA-N 296.395 3.791 30 20 CHED C=CCC[C@@H](CO)Nc1cc(C)nc2c(F)c(F)ccc12 450913487 MMUWQTDZSFWERQ-NSHDSACASA-N 292.329 3.560 30 20 CHED C#CCCCCC(=O)Nc1cccc(-c2nccc(C)n2)c1 271355868 IEUWSGTWKPXOJW-UHFFFAOYSA-N 293.370 3.584 30 20 CHED C=CCCc1noc(-c2ccc(CSC)cc2)n1 453244054 CFMOIFWOJLZYNT-UHFFFAOYSA-N 260.362 3.718 30 20 CHED CC(C)(C#N)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 279779735 INJUMAGOVWROKW-UHFFFAOYSA-N 288.778 3.505 30 20 CHED C=CC[C@H](CC)NC(=O)NCC1(CCOCC)CCCC1 541381736 GXFNAQVKCLVTQR-HNNXBMFYSA-N 296.455 3.627 30 20 CHED C#CCCCC(=O)N(C)Cc1ccc2ccccc2c1 276938411 AIYGHYGGUOOROE-UHFFFAOYSA-N 265.356 3.602 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1CCOc2ccc(Cl)cc21 452772838 GSNWAXSHRLFEGV-LBPRGKRZSA-N 293.794 3.535 30 20 CHED Cc1ccc(C#N)c(Nc2ccc([C@@H]3CCOC3)cc2)n1 549248826 YVBWLIAANPURNW-OAHLLOKOSA-N 279.343 3.509 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 276321481 WUZMIZCNDHSGDW-CQSZACIVSA-N 274.408 3.570 30 20 CHED C=C[C@H](CC(=O)Nc1cc(C2CC2)n[nH]1)c1ccccc1 270419468 FCXVKWJVZSPLKG-GFCCVEGCSA-N 281.359 3.586 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 455316855 WHGFSOQPSUNTPD-CYBMUJFWSA-N 294.826 3.879 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)NCC(C)(C)CCC#N 454959206 MAYADHWVBORPAI-GJZGRUSLSA-N 293.455 3.832 30 20 CHED C=C(C)CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 626100475 OOENTJNXWLRRIC-CYBMUJFWSA-N 274.191 3.583 30 20 CHED C=CC1CCN(C(=O)NCC[C@H](C)c2ccccc2)CC1 546671674 BLWIDOMLAWHDFS-HNNXBMFYSA-N 286.419 3.788 30 20 CHED N#CCc1cccc(-c2nc(CC3CCCCC3)no2)c1 544402659 SVSAGEVNCSTKDK-UHFFFAOYSA-N 281.359 3.925 30 20 CHED Cn1nccc1-c1ccccc1OCCCC(C)(C)C#N 279953954 ZCSVVEUXAFTVIS-UHFFFAOYSA-N 283.375 3.796 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(CC)c(CCC)s1 465112383 OAYFUIOCBFTBLJ-SNVBAGLBSA-N 251.395 3.567 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 465122967 XOZUCECQZQQVPH-UONOGXRCSA-N 275.392 3.576 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 540500239 QWKFCAPDUWBYSV-BRWVUGGUSA-N 293.451 3.834 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 461793025 CBUAZZULNPOGLF-NSHDSACASA-N 293.301 3.899 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC)CSc1ccccc1 467087136 WOVNTGQPFDDOLC-CQSZACIVSA-N 292.448 3.775 30 20 CHED Cc1cc(C(=O)CSc2cccc(C#N)c2)ccc1F 468646888 GOPYHRYQQXSSDE-UHFFFAOYSA-N 285.343 3.981 30 20 CHED N#CCCCCN1CCC[C@H](Cc2ccccc2)C1 371548346 HYLOJJXQIFOFTK-QGZVFWFLSA-N 256.393 3.635 30 20 CHED C=CC[C@@H](CC)NC1CCN(c2ccc(F)cc2F)CC1 467411819 FNASKZFPBGJAKG-CQSZACIVSA-N 294.389 3.878 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(OC)c(OC)c1C 287080602 WJQXCJQROMKCPX-ZDUSSCGKSA-N 263.381 3.629 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCc1ccccc1 280529073 BSEPJIRYSXELBK-NXHRZFHOSA-N 273.420 3.579 30 20 CHED C#CC[C@H](NC(=O)N1CC(C2CCCC2)C1)c1ccccc1 373395983 RYEQAHHSHJRUEX-SFHVURJKSA-N 296.414 3.583 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@H](C)C[C@@H]1CC 460934342 RVLFYCCDINJDNW-KGLIPLIRSA-N 276.428 3.602 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2OCc2ccccc2)C1 463241884 IQGSGTGAUGSALM-FCGDIQPGSA-N 298.430 3.796 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 465100749 CPTWZJNTUSKTEN-UWVGGRQHSA-N 286.202 3.863 30 20 CHED C=CCC[C@H](CC)Nc1ccc(C(=O)N(C)C)cc1 284280355 HLYLROVIBZFRJY-AWEZNQCLSA-N 260.381 3.545 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 468902750 JYGIXFWXKHKGEO-SFHVURJKSA-N 298.430 3.506 30 20 CHED C#CCCCCN[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 280398599 VLDUKOYMHIZQME-CABCVRRESA-N 289.419 3.589 30 20 CHED C=C[C@@H](CC(=O)NCC(C)(C)COCC)c1ccccc1 558120913 AIERKASZUJIVHO-HNNXBMFYSA-N 289.419 3.525 30 20 CHED Cc1cccc(O[C@@H](C)CNc2nc(C)cc(C)c2C#N)c1 462905170 CVPUDXDIKQQLBW-HNNXBMFYSA-N 295.386 3.758 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(Cl)c(Cl)c1 284837601 BQBJNFHJTXAETB-GFCCVEGCSA-N 272.131 3.839 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(C(C)(C)C)s1 555351059 BHJMQIMINGHMRN-UHFFFAOYSA-N 278.421 3.810 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C)c1ccccc1C)C(C)(C)C 807881917 FUHDJOJWEVXXMD-ZBFHGGJFSA-N 271.404 3.653 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)OCCCSCC#N 805455057 CYQKKLGBAHMGGT-AWEZNQCLSA-N 291.416 3.679 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cc1F)[C@@H](C)CC 1338837049 QIQAZPYKUXOCFS-LBPRGKRZSA-N 276.355 3.738 30 20 CHED C=CCOCCCSCc1cccc([N+](=O)[O-])c1C 479600656 BSQKBYBTHJKZMN-UHFFFAOYSA-N 281.377 3.729 30 20 CHED C=C1CCN(C(=O)CCCc2ccccc2Cl)CC1 290274422 PSBLNPDZLHEKSG-UHFFFAOYSA-N 277.795 3.841 30 20 CHED C#CCCCCC(=O)N1Cc2cc(C)ccc2CC1(C)C 294342953 VBEAOTMIWGUTTF-UHFFFAOYSA-N 283.415 3.852 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(-c3cc[nH]n3)cc2)no1 809295047 GPKJVTSPFIVKEB-KRWDZBQOSA-N 294.358 3.980 30 20 CHED Cc1cc(C(=O)/C=C/c2c(C)n[nH]c2C)c(C)s1 298646784 MZXULAPJWKKSHL-AATRIKPKSA-N 260.362 3.601 30 20 CHED Cc1csc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)c1C#N 562477970 YYGJPFYOEQIIPO-WCQYABFASA-N 289.404 3.725 30 20 CHED C=CC[C@H](C(=O)N(CC)CC1CCC1)c1ccccc1 478279068 KXIGEYJGIKLPNO-KRWDZBQOSA-N 271.404 3.995 30 20 CHED N#Cc1ccc(C(=O)OC[C@H]2CCCSC2)cc1Cl 806052148 DCCRAVJVAGTGEY-SNVBAGLBSA-N 295.791 3.512 30 20 CHED CSc1ccccc1[C@H](C)OC(=O)c1c[nH]c(C#N)c1 800413908 OPDGVFKKFRKGDI-JTQLQIEISA-N 286.356 3.526 30 20 CHED CC(C)N(CCC#N)[C@H](C)CCc1cccc(F)c1 566936784 YSLAPHGPPQDTQG-CQSZACIVSA-N 262.372 3.771 30 20 CHED CC1(C)C[C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccc21 471581778 KTWYCUZGIKKVFL-WWGRRREGSA-N 254.377 3.691 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(C(=O)CCCC#N)CC2 291598045 BQUUJLNGWODAMU-UHFFFAOYSA-N 284.403 3.563 30 20 CHED C[C@@](C#N)(NC(=O)CCCc1ccccc1)C1CCCCC1 568800000 GVXSASNFEZGILJ-IBGZPJMESA-N 298.430 3.988 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)N1CCC(CCC#N)CC1 563044479 QBDDZCMHEVGNHR-HOTGVXAUSA-N 291.439 3.538 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(NC=O)cc1 811590175 RNMACTMPPJBDBD-UHFFFAOYSA-N 288.391 3.511 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1cccc(F)c1C#N 489678708 XHKMMVSVYQMGSV-GFCCVEGCSA-N 276.355 3.786 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc(F)c(F)c1 811688609 ZPSQZMZSJOLICA-FNORWQNLSA-N 287.240 3.872 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(-c2ccccc2C)nn1C 568375262 AZBVPHGNTABCDX-UHFFFAOYSA-N 297.402 3.936 30 20 CHED C=CCCCN[C@@H](C)[C@@H](OC)c1ccccc1Cl 481390954 KEQHDRLGDFYCPK-SWLSCSKDSA-N 267.800 3.972 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(C)nc1C 814915863 KLMDAQOOOZRRTR-UHFFFAOYSA-N 287.338 3.682 30 20 CHED CC(C)(C#N)CCN1CC[C@@H](c2ccc(F)cc2)C1 561674429 RQBYNZBTEZPQLQ-CQSZACIVSA-N 260.356 3.555 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC)Cc1ccc(Cl)cc1 486995063 HYUHXKXZPIYHLJ-OAHLLOKOSA-N 294.826 3.879 30 20 CHED COCC(=NNc1ccc(F)cc1)c1cccc(Cl)c1 814693200 AZEOINVVIFIRFF-UHFFFAOYSA-N 292.741 3.942 30 20 CHED C#Cc1ccccc1CC(=O)N(CC1CC1)c1ccccc1 811907694 NNJKABULQZJHQJ-UHFFFAOYSA-N 289.378 3.654 30 20 CHED C=CCN1CCC(N[C@H](CC)c2ccc(CC)cc2)CC1 482645477 YKBNRGPEIREDIQ-LJQANCHMSA-N 286.463 3.940 30 20 CHED CSc1ccc(C=NNCc2cc(F)ccc2F)s1 814808879 KQIKEVPNADSUOL-UHFFFAOYSA-N 298.383 3.872 30 20 CHED CC(=NNc1ccc(C)cc1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814685132 CNPXCSWQBOVHPA-HIFRSBDPSA-N 288.391 3.920 30 20 CHED Cc1cc(Br)c(O)c(C=NOCCC2CC2)c1 814246292 YVCAURCKNMFXAI-UHFFFAOYSA-N 298.180 3.614 30 20 CHED COc1ccc(F)cc1/C=C1/Cc2cc(F)ccc2C1=O 812243629 QGBQJMQIBVWZLP-GHXNOFRVSA-N 286.277 3.796 30 20 CHED CCOc1ccc(NN=Cc2cccc(F)c2F)cc1 814983839 GGISELOAECOCME-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CCON=C/C(C)=C/c1ccccc1OC(F)F 811636726 KIIVARAUFORGBF-DNJBHSPNSA-N 255.264 3.714 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 814918282 JWHZPGNWLDEAQY-CQSZACIVSA-N 279.330 3.870 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 819735018 YQXGRVMDDHGDKB-CJNGLKHVSA-N 299.422 3.652 30 20 CHED Cc1ccsc1/C=C1/Cc2ccc(C#N)cc2C1=O 811693793 KNCLHLKHOHTYSC-JYRVWZFOSA-N 265.337 3.751 30 20 CHED Cc1cc(N2C[C@H](c3ccccc3)C[C@@H]2C)cc(C#N)n1 574672071 IZMCHOMMHRTQED-GOEBONIOSA-N 277.371 3.644 30 20 CHED N#Cc1ccc(NC(=O)c2cc(Cl)cs2)cc1F 813258714 IMWBWWYWGUHJMI-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCOc1ccc(NN=Cc2ccc(C(F)(F)F)[nH]2)cc1 814984898 LOYNYGJVLOCSPC-UHFFFAOYSA-N 297.280 3.878 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)[C@H](C)O 570202182 DFGDRAUFFURCJL-KGLIPLIRSA-N 296.370 3.840 30 20 CHED C(=NOCC1CC1)c1csc(-c2ccsc2)n1 814243900 SFJLTNRHAHQKPF-UHFFFAOYSA-N 264.375 3.632 30 20 CHED CON(Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1 812910611 LFYGXKSYOSWUFR-UHFFFAOYSA-N 286.762 3.775 30 20 CHED C[C@@H]1CN(Cc2ccc(F)cc2C#N)Cc2ccccc21 728569996 ZMZVFYJVCKRKFD-CYBMUJFWSA-N 280.346 3.817 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1O 811699141 QTWCXJHNFOAUGX-ALCCZGGFSA-N 290.265 3.575 30 20 CHED Fc1ccc(/C=C/C=NOC/C=C/Cl)c(F)c1 811672348 WZLHCAFCLVTATL-OKYJWXEESA-N 257.667 3.733 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCO[C@H](CC)C1 810766064 HLGLIHHQEADXBR-HZPDHXFCSA-N 281.440 3.834 30 20 CHED CC[C@H](N=c1ccc(C#N)c(C)[nH]1)c1ccc(Cl)s1 488121567 XEOHFDRYWUPPHY-NSHDSACASA-N 291.807 3.962 30 20 CHED C[C@H]1COCC[C@@H]1CNc1cc(C#N)ccc1C(F)(F)F 573311874 UFFTZBZNKIXGLW-CMPLNLGQSA-N 298.308 3.662 30 20 CHED C#C[C@H](CC)NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 821567261 JHPRTGMPGTZOLB-CRAIPNDOSA-N 296.414 3.650 30 20 CHED C=CCC[C@@H](C)NCCc1cn(C)c2ccccc12 658213880 VYAAQEIAIIUNKM-CQSZACIVSA-N 256.393 3.665 30 20 CHED C=C(CC)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 494462097 ADWUHBBYNKKNGS-CABCVRRESA-N 283.774 3.865 30 20 CHED N#Cc1cccc(C2(NCC[C@@H]3CC3(Cl)Cl)CC2)c1 822818707 RXRXYBASTRCCOD-CYBMUJFWSA-N 295.213 3.721 30 20 CHED CC[C@@H](NC[C@H](C(C)C)N1CCCC1)c1ccc(C#N)cc1 579915765 QTSMCMDIXKDCBS-RTBURBONSA-N 299.462 3.719 30 20 CHED Cc1ccc(F)c(C(=O)OCc2ccc(C#N)cc2F)c1 727215620 SXFFYJLCQGJORU-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=CC[C@@H](NC(=O)Cc1cc(C)cc(C)c1)c1ccncc1 827862811 QOWZUJRZJADALS-GOSISDBHSA-N 294.398 3.675 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@H]1COc2ccccc2C1 729183947 ZRDOSPDNCUSEMF-LBPRGKRZSA-N 298.773 3.875 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 584816328 QRIRGBYOFSDJLO-WCQYABFASA-N 261.365 3.622 30 20 CHED CCCC[C@H](C)C(=O)Nc1cc(C#N)c2ccccc2n1 589042477 BKQNYTJAZGZRAW-LBPRGKRZSA-N 281.359 3.871 30 20 CHED CC(C)(C)c1ccc(C=NOCC2CCOCC2)cc1 735488460 NMQSJFVMGMBPQA-UHFFFAOYSA-N 275.392 3.761 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cc(C)cc(C)c1)C(C)C 730674279 JPZOQLWEUJWJJR-OAHLLOKOSA-N 274.408 3.970 30 20 CHED Cc1cc(O)nc(CSCCCCC2(C#N)CCC2)n1 901769645 NAGOZXMUKNLRRS-UHFFFAOYSA-N 291.420 3.588 30 20 CHED CC(C)(C)C#CC(=O)NCc1c(Cl)cccc1Cl 837332727 AMDRWJZQOQFDNO-UHFFFAOYSA-N 284.186 3.659 30 20 CHED C#CCCCCCCN[C@@H](C(=O)O)c1cccc(C)c1C 901853339 LADUIPIOVLMMIU-QGZVFWFLSA-N 287.403 3.602 30 20 CHED Cc1noc([C@@H](C)ON=Cc2ccccc2C(F)(F)F)n1 736296345 GDKHKSZMOURNJU-MRVPVSSYSA-N 299.252 3.509 30 20 CHED C#CCCc1noc(-c2ccc([C@H](C)C(F)(F)F)cc2)n1 834585821 UITWRWSQXMXNLX-JTQLQIEISA-N 294.276 3.968 30 20 CHED CCc1nocc1/C=C\C(=O)c1csc(C(C)C)n1 834434874 VXXUDOMGCKGPRU-WAYWQWQTSA-N 276.361 3.713 30 20 CHED CC(C)c1ccoc1C(=O)N(O)Cc1ccc(F)cc1 901373011 RBZZMZCKKXKZQU-UHFFFAOYSA-N 277.295 3.574 30 20 CHED Cn1cc(/C=C\C(=O)c2cc3ccccc3s2)cn1 588535013 BVAOMOVIWDALPQ-SREVYHEPSA-N 268.341 3.531 30 20 CHED COc1ccc2c(c1)[C@H](NCC(C)(C)C#N)CCCS2 903102345 WMBUKTVANVLPBW-CQSZACIVSA-N 290.432 3.762 30 20 CHED Cc1ccc(Cc2noc(-c3ccc(CC#N)cc3)n2)s1 582447705 ZVSULWCGUOBEGA-UHFFFAOYSA-N 295.367 3.763 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2c(C)cccc21 583140269 WSMIGWBAWRVMQO-OAHLLOKOSA-N 257.377 3.701 30 20 CHED C[C@H]1CC(=NNc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)O1 834952211 MUTZRCLSYFYXDU-IUCAKERBSA-N 297.280 3.542 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc2c(c1)CCO2 834873960 FFHWRLWRGGMVRF-CLFYSBASSA-N 294.350 3.916 30 20 CHED N#CC1(CCCCSc2nnc3ccccn23)CCC1 901387106 LDMSZYDDXONJDY-UHFFFAOYSA-N 286.404 3.686 30 20 CHED C=CC[C@@H](NC(=O)/C=C/c1ccsc1)c1ccncc1 734235429 HZJKUGYYBCRUTM-MBVDDHJVSA-N 284.384 3.590 30 20 CHED C=CCSCCNC(=O)N[C@@](C)(CC)c1ccccc1 730902729 HZAOWUOYKFMFFU-INIZCTEOSA-N 292.448 3.530 30 20 CHED C=CCCCOC(=O)c1cc(C2CC2)nn1-c1ccccc1 735528788 UKEROLURFSYJDS-UHFFFAOYSA-N 296.370 3.873 30 20 CHED C#CCCCC(=O)O[C@@H](c1ccc(C#C)cc1)C(F)(F)F 836083072 QPCWWZQTITVCFT-HNNXBMFYSA-N 294.272 3.618 30 20 CHED CCCCN(C(=O)CCCC#N)[C@@H](C)c1ccc(C)o1 589696681 TXNVBGVUFRLMLE-AWEZNQCLSA-N 276.380 3.972 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccccc1[C@@H](C)CC 835050152 XXDGPCALKHBWJO-CFVMTHIKSA-N 274.360 3.697 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1CCCCC1(F)F 837822631 BHUVXWBBWMMJCX-NSHDSACASA-N 273.323 3.685 30 20 CHED C=CCN(C(=O)CSc1ccc(OCC)cc1)C(C)C 914682802 ITOYAUJWFUVDGA-UHFFFAOYSA-N 293.432 3.600 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1ccncn1 835001331 HJHQODXGWSIURU-UHFFFAOYSA-N 268.364 3.632 30 20 CHED Fc1cc2nc(NN=C/C=C\c3ccccc3)[nH]c2cc1F 912817808 ULAHZGJTMXZYTH-NKJDMSAQSA-N 298.296 3.952 30 20 CHED COc1cccc(O)c1/C=N\CC(C)(C)c1ccccc1 914701552 KXSQAGDMDBGZOR-UNOMPAQXSA-N 283.371 3.798 30 20 CHED C#C[C@@H](C)N(C)C(=O)C(C)(C)c1cccc2ccccc12 839338934 FVEZSOIIBFAOKM-CQSZACIVSA-N 279.383 3.598 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](CC)c1ccnc(Cl)c1 838916120 RVJAZWABXSHPET-WCQYABFASA-N 297.782 3.711 30 20 CHED C[C@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccco1 599507784 HITBPJBTEKQFDS-DYVFJYSZSA-N 288.391 3.752 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(OC(F)F)cc2)C1 839044916 VQUALKZUVYMVBA-GXFFZTMASA-N 295.285 3.527 30 20 CHED Clc1ccc(NN=C2CC[C@H]3CCCC[C@H]3C2)nn1 916288037 KVXSPTZQZYVJTO-MNOVXSKESA-N 278.787 3.888 30 20 CHED C#CCN(CC)C(=O)CCCc1ccc(Cl)c(Cl)c1 919877152 DKHOQSCQLQSSQK-UHFFFAOYSA-N 298.213 3.798 30 20 CHED CC[C@@H]1CCCN(c2nc(C#N)c(Cl)s2)CC1 596131532 OJOFUHSTYAXKDP-SECBINFHSA-N 269.801 3.685 30 20 CHED COc1ccc(C)cc1C=NNCc1ccccc1Cl 918152587 HTKXQTHTBGUWHO-UHFFFAOYSA-N 288.778 3.781 30 20 CHED C=CCCSCCNC(=O)Cc1cccc2ccccc12 597973760 LWQWRNOJUILHQK-UHFFFAOYSA-N 299.439 3.808 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2)Cc2ccccc21 916152743 XRFPNRBOAKEXBR-AWEZNQCLSA-N 262.356 3.678 30 20 CHED CC#CCOC(=O)/C=C(\CC)c1cccc(Cl)c1 745759218 QYKPTFVISBYANS-VAWYXSNFSA-N 262.736 3.700 30 20 CHED N#Cc1ccc(CCNC(=O)C2(C3CCCCC3)CC2)cc1 912293488 YAIGGOMRPIOXQJ-UHFFFAOYSA-N 296.414 3.577 30 20 CHED Cc1ccccc1C1CC(=NNc2ccccn2)C1 743426838 XFUNNGSQIDRBAV-UHFFFAOYSA-N 251.333 3.736 30 20 CHED C=C(C)CCOC(=O)c1nc(Cl)ccc1Cl 744303440 AXTJDHWTMXLIHV-UHFFFAOYSA-N 260.120 3.511 30 20 CHED CCO[C@@H]1CC(=NNc2cc(F)c(F)c(F)c2)C1(C)C 747641818 FUWSKMMPSPSBBS-GFCCVEGCSA-N 286.297 3.707 30 20 CHED Cc1nc(SCc2ccc(OCC#N)cc2)sc1C 741856066 FSAGIFTUPAGTEF-UHFFFAOYSA-N 290.413 3.955 30 20 CHED Cc1ccc(C)c(C=NNCc2cc(F)ccc2F)c1 915978129 BDXLSQJCUCYLGT-UHFFFAOYSA-N 274.314 3.705 30 20 CHED CCCCCCCCC(=O)NCCN1CCC[C@H](C)C1 915628026 UNNBRVPCWSIHJN-INIZCTEOSA-N 282.472 3.585 30 20 CHED C#C[C@@H](OC(=O)CSCCCC)c1ccc(F)cc1 842410516 DTFRJSFEEPQLTH-CQSZACIVSA-N 280.364 3.577 30 20 CHED CCc1ccc([C@H](NC(=O)[C@@H](C#N)CC)C(C)C)cc1 593395510 XWWNYRBVYREPEC-GDBMZVCRSA-N 272.392 3.612 30 20 CHED CCC(=NNc1cc(Cl)nc(C)n1)c1cccs1 741764062 RFFRBVPYRGUYSP-UHFFFAOYSA-N 280.784 3.726 30 20 CHED CCCCCCCCCNC(=O)NC[C@H]1CCC[C@H](O)C1 745343182 RRPOWLFPSWDAEI-HOTGVXAUSA-N 298.471 3.587 30 20 CHED O=[N+]([O-])c1ccc(NN=C/C=C/c2ccc(F)cc2)cc1 747737349 ZAGJUWMLSUOUEF-LUUHTGMGSA-N 285.278 3.845 30 20 CHED CCCCCCCCC(=O)Nc1cnn(CCC)c1 742721986 HKVPRYXADMFQGT-UHFFFAOYSA-N 265.401 3.982 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@H]2CC)c1 590137428 DVBHVWHADYYBRW-CQSZACIVSA-N 274.364 3.658 30 20 CHED N#C[C@H](C(=O)C1CCCCC1)c1nc(C2CC2)cs1 842939004 PQKXSYBETXYQBG-GFCCVEGCSA-N 274.389 3.777 30 20 CHED CCOc1ccc(CNCC(C)(C)CCC#N)c(C)c1 594958593 USILXQZJMRPXHF-UHFFFAOYSA-N 274.408 3.813 30 20 CHED CCc1ccccc1CCN1CCC(CCC#N)CC1 592135163 IWHBZVMNZCRCCM-UHFFFAOYSA-N 270.420 3.807 30 20 CHED C#C[C@H](OC(=O)c1cn(CCCC)nc1C)c1ccccc1 842365288 MJRMJMAPGYYMCX-KRWDZBQOSA-N 296.370 3.523 30 20 CHED O=C1CCc2cc(OCC#Cc3cccc(Cl)c3)ccc21 681959905 BGQNFACZBBNBIS-UHFFFAOYSA-N 296.753 3.899 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(F)cc1O 747642922 YNXFJTPUMVNPPX-UHFFFAOYSA-N 298.239 3.785 30 20 CHED Cc1cccc(C)c1OCCC(=O)Oc1ccc(C#N)cc1 914707347 IMLBRRIUIISKQL-UHFFFAOYSA-N 295.338 3.550 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2nc(C)cc(C)c2C#N)c1 598853094 LKJHXYSJSPSBHR-CQSZACIVSA-N 293.370 3.621 30 20 CHED N#Cc1cnnc(Nc2ccc(COC3CCCC3)cc2)c1 596136924 XQZOZJSLRHUOGH-UHFFFAOYSA-N 294.358 3.551 30 20 CHED Oc1nc2ccccc2cc1/C=N/C[C@H]1CCCC1(F)F 840710504 SNPBIRFSASDVPI-VDLQQMNMSA-N 290.313 3.795 30 20 CHED C=CCOc1ccc(OCc2cccnc2C)cc1 685580002 XEIXSVUCFDLEQR-UHFFFAOYSA-N 255.317 3.534 30 20 CHED C=CCCOCc1nc(C2(c3ccccc3)CCC2)no1 683581803 NXSHAMSADUTMAB-UHFFFAOYSA-N 284.359 3.632 30 20 CHED COc1ccc(Br)c(NN=C2CCCC2)c1 841657791 PSTMQXPSXBMRRN-UHFFFAOYSA-N 283.169 3.800 30 20 CHED CC[C@H](C#N)OC(=O)c1[nH]c2c(Cl)cccc2c1C 840631029 CMPHWKWRDLOUEA-SECBINFHSA-N 276.723 3.589 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C#N)C1 928222912 UBDALCCTKJHSOQ-HOTGVXAUSA-N 276.424 3.745 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(CCc2ccccc2)[nH]n1 682383352 WTDSIAISTGPGOU-SFHVURJKSA-N 297.402 3.736 30 20 CHED N#CC1(CC(=O)O[C@@H]2CCCc3cccnc32)CCCCC1 851103600 POCGHNGAASJSJQ-OAHLLOKOSA-N 298.386 3.866 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC[C@H](C#N)C1 928221581 NLVOXWBEOIBPGO-ICDLMJIXSA-N 288.778 3.505 30 20 CHED Cc1cccc(C)c1C=NN[C@@H](C)c1ccccc1 755663630 BUJQZDOLYNRERD-HNNXBMFYSA-N 252.361 3.988 30 20 CHED C=C[C@@H](OC(=O)CCCC(=O)C1CC1)c1ccccc1 851451213 FPBNECFYTKLDPF-MRXNPFEDSA-N 272.344 3.606 30 20 CHED CC1(C)CCC/C(=C\c2cccc3c2OCCO3)C1=O 757535889 XKRJMIDEGLBKOP-ACCUITESSA-N 272.344 3.620 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccoc1 755889612 MWLMHFGNQPAXCF-UHFFFAOYSA-N 251.289 3.664 30 20 CHED CCN(CCC#N)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 752816443 UQIUWDLXWMLNCE-UHFFFAOYSA-N 283.375 3.667 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1nc(Cl)c(C#N)s1 857618679 ZSNFVXPMLZULKS-NSHDSACASA-N 289.763 3.525 30 20 CHED CC(C)Oc1ccccc1C(=O)O[C@H](C)CC(C)(C)C#N 851208969 ALAFQZWIBHDGJO-CYBMUJFWSA-N 289.375 3.959 30 20 CHED C=C(C)COC(=O)c1cnc2ccccc2c1C(F)(F)F 928989201 RNIURKYUGQXDKZ-UHFFFAOYSA-N 295.260 3.987 30 20 CHED COc1cccc(C=NNc2ccc(F)cc2C)c1 750938695 MIFNDPPMGPPMSQ-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=CCCCOC(=O)c1scc(C)c1Br 753654438 PLBSFJNACDSLAF-UHFFFAOYSA-N 289.194 3.942 30 20 CHED CCCCCCCCCCC(=O)N1C[C@H](C)[C@@](C)(CO)C1 856246630 HEYYVUKQEMHGLN-FUHWJXTLSA-N 297.483 3.994 30 20 CHED CCCCC=Nn1c(S)nnc1-c1cccc(Cl)c1 755565129 SFGBVMAFQONJPU-UHFFFAOYSA-N 294.811 3.911 30 20 CHED C#CCCCCCc1nc(Cc2cccc(C)c2)no1 761567648 ZPHOZMIPEKVMKT-UHFFFAOYSA-N 268.360 3.705 30 20 CHED CCCCCCC[C@H](C)NCCc1cn2c(n1)SCC2 768531577 FQPBEBPBFNJEQT-AWEZNQCLSA-N 295.496 3.870 30 20 CHED CCc1oc2ccccc2c1C=NOC[C@@H]1CCCOC1 769879289 SIOQBTAWIFFJIB-CYBMUJFWSA-N 287.359 3.772 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc2[nH]cc(C=O)c2c1 933341061 CKUKHLNCQMPZOW-UHFFFAOYSA-N 298.386 3.799 30 20 CHED N#Cc1cc(F)ccc1CN1CCc2cc(Cl)ccc21 864028330 SVRZKHSLJIDTGD-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CCC1(CC)C(=NNc2cnc3ccccc3n2)C[C@@H]1OC 762605096 UFCPYOOFMRJGJW-HNNXBMFYSA-N 298.390 3.623 30 20 CHED C#C[C@@H](C)N(C)C(=O)C1(c2cccc(Cl)c2)CCCC1 767258668 BORROWVBDCPCEX-CYBMUJFWSA-N 289.806 3.632 30 20 CHED C#CCCCNc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 766723858 GQNJUMQGSFNYBC-MRXNPFEDSA-N 298.430 3.835 30 20 CHED CC(C)(CC#N)COC(=O)[C@H]1C[C@@]12CCCc1ccccc12 764842890 KBPGGUHFTDYLOK-VQIMIIECSA-N 297.398 3.764 30 20 CHED CC(C)c1ccc(CC=NNc2ccc(C(=O)O)cn2)cc1 763372411 XPNCVUYYNXAWBM-UHFFFAOYSA-N 297.358 3.544 30 20 CHED C#CCC(C)(C)C(=O)Oc1cccc(Cl)c1Cl 767048064 YXUKRBDPCCYTNA-UHFFFAOYSA-N 271.143 3.948 30 20 CHED C#C[C@@H](C)N(C)C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 767257824 MDRKMKNJWXFAFF-NLYDNYMLSA-N 295.304 3.589 30 20 CHED C[C@H](N[C@H](C)COc1ccccc1F)c1cccc(C#N)c1 1116488342 PSDSLOCUFYPARL-KGLIPLIRSA-N 298.361 3.815 30 20 CHED N#CC1(OC(=O)/C=C\c2ccccc2C(F)(F)F)CCC1 870231960 CXEYYAYLDQRVQF-SREVYHEPSA-N 295.260 3.708 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1cc(C#N)c(F)cc1F 876350526 PCXFJNXASDJECJ-HJWRWDBZSA-N 264.275 3.521 30 20 CHED CCCCCC[C@H](C)NC(=O)Nc1cc(CC#N)ccn1 871720034 ASUQTGKZWFXBMW-ZDUSSCGKSA-N 288.395 3.628 30 20 CHED CCCc1cccc(/C=C\C(=O)c2c(C)nn(C)c2C)c1 774127106 QPXWGMQGWWUWAQ-KHPPLWFESA-N 282.387 3.886 30 20 CHED CC(=NNCCOC(C)C)c1cc2cc(Cl)ccc2o1 778554748 WXNQNZHZKXKGCI-UHFFFAOYSA-N 294.782 3.825 30 20 CHED Fc1ccc(C2=CCC(=NOC3CCOCC3)CC2)cc1 774439656 BUSZEJYNEIRSOY-UHFFFAOYSA-N 289.350 3.945 30 20 CHED CC[C@@H](NCC1(C#N)CC1)c1ccc(Br)cc1 776009678 ZSYSVXQGTICAEV-CYBMUJFWSA-N 293.208 3.794 30 20 CHED Cc1cc(C=NNCC(C)C)ccc1Oc1cccnc1 771558013 SVBRJBPGTNDETM-UHFFFAOYSA-N 283.375 3.762 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C\c2ccn(C)n2)cc1 773155711 XZPMRSCMDAIMDP-HJWRWDBZSA-N 268.360 3.515 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(Cl)cn1 774373844 AIDMGBOZQYQZIT-LLVKDONJSA-N 273.767 3.810 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)cc1OC)c1ccccc1 775391744 WKIONYBMIJWKNB-LJQANCHMSA-N 294.398 3.982 30 20 CHED Cn1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)n1 773143934 GSSBXJTVPQYJEZ-VAWYXSNFSA-N 288.350 3.983 30 20 CHED C=C(C)CCOC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 776093627 GMGPVXPFYNJSFW-LBPRGKRZSA-N 289.158 3.536 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1cc(C)ccc1C 775409558 OKFCBJUAYIRRHN-UHFFFAOYSA-N 294.354 3.959 30 20 CHED CSCc1c(C(=O)OC(C)(C)C#N)oc2ccccc12 779227433 LSVWOJMLEQOCBG-UHFFFAOYSA-N 289.356 3.755 30 20 CHED C=CCCOCCCCC(=O)N[C@@H](C)c1ccc(C)s1 775670541 KZZHVHLFGXCPQX-AWEZNQCLSA-N 295.448 3.997 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 880414326 NIXDLVCFBIAJIH-LSDHHAIUSA-N 257.377 3.569 30 20 CHED C=C[C@H](C(=O)N[C@H]1CCC[C@@H](SC)C1)c1ccccc1 1123572539 VDXQGENUGIXTBD-XHSDSOJGSA-N 289.444 3.747 30 20 CHED C#Cc1ccc([C@H](OC(=O)[C@@H](F)CC)C(F)(F)F)cc1 1121220349 VFOBUNAPMCFGPA-RYUDHWBXSA-N 288.240 3.563 30 20 CHED CC(=NNCCc1ccccn1)c1cc2ccccc2s1 789126732 HQBKRAXVXLGDOV-UHFFFAOYSA-N 295.411 3.853 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1c[nH]c2cccc(OCC)c12 783132959 BJRJDLAEXUQGOU-GFCCVEGCSA-N 287.359 3.617 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@@H](C)c1ccccc1F 1123492451 QYSSSQRDPQLQIC-ZDUSSCGKSA-N 263.356 3.947 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C1CCCC1 788037822 BJNORDLQTHUESQ-PBHICJAKSA-N 284.403 3.581 30 20 CHED Fc1cccc(NN=Cc2cccc(Cl)c2Cl)n1 795007941 SEOQMEUHHBBDOD-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(OC)c1 1123364172 DKTFOGJABGAQKM-CQSZACIVSA-N 274.364 3.658 30 20 CHED COc1cc(C)c(C(C)=NNC2CCCC2)cc1C 783839003 BFXYFQABOAIGMW-UHFFFAOYSA-N 260.381 3.568 30 20 CHED C#CCCCOC(=O)C[C@H](C)c1c[nH]c2ccccc12 786337631 PPZSAYSTTFMPPU-ZDUSSCGKSA-N 269.344 3.618 30 20 CHED N#Cc1c(F)cccc1N[C@H](c1ccncc1)C1CC1 897422689 PLRBKRIFVFDBNB-INIZCTEOSA-N 267.307 3.656 30 20 CHED CCc1ncc(C=NN2CCC(C(C)(C)C)CC2)s1 790178803 LHBGTZXUBJQGQC-UHFFFAOYSA-N 279.453 3.798 30 20 CHED CSCCON=C1CCCC[C@@H]1N1CCCCCC1 794575163 XQJNRKKSNLKXPA-HNNXBMFYSA-N 284.469 3.541 30 20 CHED C=C(C)CN(C/C=C/Cl)Cc1cnn(C(C)C)c1 796452634 WDRGUJNTWPNNFE-AATRIKPKSA-N 267.804 3.595 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1c2ccccc2C[C@H]1O 793527182 OMVMJUGWGKIFAL-OLMNPRSZSA-N 273.420 3.759 30 20 CHED CC[C@@H](C)CON=Cc1cnc(C)n1-c1ccccc1 793157534 CBSJLUTWALLECE-CYBMUJFWSA-N 271.364 3.577 30 20 CHED C=C(Br)CN[C@@H]1CCCC[C@@H]1SCC 189491233 VBSSNVSYPJZMRO-MNOVXSKESA-N 278.259 3.549 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1cccc2ccccc12 1135881505 SLUOBWDUIIBKCF-UHFFFAOYSA-N 275.311 3.600 30 20 CHED CCCCc1nc(COc2ccc(C#N)c(Cl)c2)no1 190273085 GCPLCVWESCPDLP-UHFFFAOYSA-N 291.738 3.516 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCCC2CCCCC2)c1 1206298314 RZAAQGHZAFAJIP-UHFFFAOYSA-N 285.391 3.959 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(F)c3ccccc23)C1 1139891666 DZOZCYJGJVATTO-ZDUSSCGKSA-N 268.335 3.714 30 20 CHED C=C[C@H](CC(=O)OC[C@H]1CCC(C)(C)O1)c1ccccc1 792019530 FNXPNJSONFYDNL-GDBMZVCRSA-N 288.387 3.847 30 20 CHED CCc1nnc(SCCCC(C)(C)C#N)s1 594918164 SIWUBIJSBYSYOD-UHFFFAOYSA-N 255.412 3.523 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](C)c1ccc(F)cc1F 797883949 BFALAPLCHOOSIU-MRVPVSSYSA-N 291.253 3.656 30 20 CHED CCn1nc(C=NNc2cccc(Cl)n2)c2ccccc21 793162173 RRIGIRJGUBYJSL-UHFFFAOYSA-N 299.765 3.551 30 20 CHED COc1cc(/C=C/C(=O)C2CCCCC2)ccc1C#N 799495433 QRQDDPVJJJINIA-CSKARUKUSA-N 269.344 3.729 30 20 CHED CN(C)c1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1Cl 799724915 TUBWEIWSVGWKGL-WDEREUQCSA-N 263.772 3.510 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cc(C)c(C)o1 793163944 OCXVNWXVRMASFA-UHFFFAOYSA-N 263.728 3.781 30 20 CHED Fc1ccc(-c2ccc(C=NNc3cncnc3)s2)cc1 794978525 IGALNQLZNROSHJ-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C=C(CC)COC(=O)Cc1cccc(C(F)F)c1 790700593 BZQBJKPFTJUONA-UHFFFAOYSA-N 254.276 3.676 30 20 CHED Cc1ccc2c(c1)OCCCC2=NNc1cccc(F)n1 795007428 ZGHAVKMNJOKEDN-UHFFFAOYSA-N 285.322 3.518 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1ccc(Cl)s1 695865027 QKKFEYKOFDZKCA-SNVBAGLBSA-N 270.829 3.862 30 20 CHED C#CCC(C)(C)C(=O)NC1CC(C)(C)CC(C)(C)C1 767098177 ISMVDOLUKRTJFX-UHFFFAOYSA-N 263.425 3.757 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)NCc1ccc(C#N)cc1 1308461461 QDBDAPZRIIUHQL-SFHVURJKSA-N 282.362 3.808 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C(F)(F)F)c(F)c1 1311031637 COTZAPAYPUVJSF-UHFFFAOYSA-N 296.651 3.719 30 20 CHED Cc1cccc(NC(=O)Nc2ccc(OCC#N)cc2)c1F 1319828866 ORKMJOBPPWVSJW-UHFFFAOYSA-N 299.305 3.681 30 20 CHED FC(F)Oc1ccc(NN=Cc2cccn2C2CC2)cc1 1328092074 UJCVAUUSNMMVPK-UHFFFAOYSA-N 291.301 3.870 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CSCc2cccs2)C1 1325324509 JTLGPYBJOVFKKQ-NEPJUHHUSA-N 295.429 3.607 30 20 CHED C=C(C)CCNC(=O)N(CCc1ccccc1)C(C)C 1324738922 GJNVYFLSADSZJM-UHFFFAOYSA-N 274.408 3.615 30 20 CHED CC1CCC(C)(NC(=O)CC#Cc2ccccc2)CC1 1322557521 RBTFRULLYOAVJE-UHFFFAOYSA-N 269.388 3.513 30 20 CHED Cc1ccc(C)c(NC(=O)c2cccc(C#N)c2C)c1 1325217229 JJNTYAOCJIQHMA-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CN(C(=O)c1csc(C#N)c1)[C@@H]1CCC[C@@H]1C(C)(C)C 1325342666 YQWSLOOKVAQSAS-UONOGXRCSA-N 290.432 3.907 30 20 CHED C=CCC(CC=C)c1nnc([C@H]2COc3ccccc3O2)o1 1321059347 YYUZIDYZFPMILM-OAHLLOKOSA-N 298.342 3.818 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1cccnc1C)C2=O 1321552029 ZWCZEDVJEVNBPX-DHDCSXOGSA-N 279.339 3.666 30 20 CHED CC(C)(Oc1ccc(C#N)cc1)c1nnc(C2CCCC2)o1 1257536978 BTUKMYDPFZFWBV-UHFFFAOYSA-N 297.358 3.913 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1254360254 XHBJSIUVFYKMLJ-JKSUJKDBSA-N 261.409 3.609 30 20 CHED C=C1CCC(C(=O)N(C)c2ccc(C#N)c(Cl)c2)CC1 1331485740 LHPZQYNXYCDUGN-UHFFFAOYSA-N 288.778 3.921 30 20 CHED CN(CCCc1ccccc1)c1cccc(F)c1C#N 1650939826 CZVFWXNOUQJLRF-UHFFFAOYSA-N 268.335 3.766 30 20 CHED CC(C)(C)n1cc(CSCC2(CC#N)CC2)cn1 1330684862 IXZAIVWBORIRGE-UHFFFAOYSA-N 263.410 3.565 30 20 CHED C=C(C)CCC(=O)NC1(c2ccccc2OC)CCC1 1335779379 WAZTURVLWCMDLZ-UHFFFAOYSA-N 273.376 3.547 30 20 CHED N#Cc1ccc(CCN(CC2CCC2)CC2CC2)cc1 1193818761 JCWHANFXCWYXHI-UHFFFAOYSA-N 268.404 3.613 30 20 CHED C=C(C)CCC(=O)NCC(=O)c1cc2ccccc2s1 1262637214 MOUKGDWCVUNPAG-UHFFFAOYSA-N 287.384 3.557 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 1346580248 MVSMVNDLCZXPQS-SJORKVTESA-N 287.403 3.625 30 20 CHED N#Cc1ncccc1NCc1cccc(C(F)F)c1 1348476280 NINBVGLWZCUOMX-UHFFFAOYSA-N 259.259 3.503 30 20 CHED CSc1ccccc1N(C)C(=O)c1csc(C#N)c1 1361019480 YWXFSCRGHISFQR-UHFFFAOYSA-N 288.397 3.618 30 20 CHED CC(C)(CCC#N)COC(=O)CC[C@@H]1CC1(Cl)Cl 1514867691 HATJCJPFFWIJCD-SNVBAGLBSA-N 292.206 3.834 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1ccccc1CC(C)C 1526594277 NBINEAWCLAWDQF-MRXNPFEDSA-N 295.386 3.592 30 20 CHED C#CCCCCN[C@H]1C[C@@H](OCC)C12CCCCC2 224747185 PNEZQCRDEFNZEP-JKSUJKDBSA-N 263.425 3.507 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)Cc2ccc(C)cc2C)n1 1611975227 DNGWFGXDHCBSRI-CQSZACIVSA-N 294.402 3.571 30 20 CHED N#CCC1(COc2cc(F)cc(Br)c2)CC1 157242223 FFILYLDBHVIWMG-UHFFFAOYSA-N 284.128 3.661 30 20 CHED N#Cc1cccc(NC[C@@H]2CCC3(CCCCC3)O2)c1 228036550 VRMBNFNUSMQXCD-INIZCTEOSA-N 270.376 3.852 30 20 CHED CCCN(Cc1ccc(F)cc1)c1ccc(C#N)c(C)n1 1559084822 LODNNHSEEWJAGT-UHFFFAOYSA-N 283.350 3.817 30 20 CHED C=CC(C)(C)C(=O)O[C@H]1CCCc2cc(C(=O)O)ccc21 1573347242 KAACXMQWVQNGCO-AWEZNQCLSA-N 288.343 3.518 30 20 CHED COc1ccc(CNC[C@@H]2CCC[C@H](C)[C@H]2C)cc1C#N 1651016648 RNQVGPMMNRBCJN-LZWOXQAQSA-N 286.419 3.729 30 20 CHED CC[C@@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)s1 1655211823 KEEPMUABMFGDQK-LLVKDONJSA-N 277.780 3.653 30 20 CHED CCc1cccc(CNc2cccc(CC#N)c2)c1 1651090693 AXGUIDDCMQKLBP-UHFFFAOYSA-N 250.345 3.927 30 20 CHED N#CCc1cccc(NCc2c[nH]nc2-c2ccsc2)c1 1657978140 SLSJCPPYEJJUEJ-UHFFFAOYSA-N 294.383 3.816 30 20 CHED Cc1cc([C@H](C)NCc2cccc(C#N)c2F)c(C)o1 230636910 CNDHWGNIMCUFDL-NSHDSACASA-N 272.323 3.758 30 20 CHED CO[C@H](COc1cc(Cl)cc(C#N)c1)CC(C)C 1652869294 SFJTVRUXXVTZIL-AWEZNQCLSA-N 267.756 3.652 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)c(F)c1F 1583538762 BEEBJLZSAQMVFF-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CCC(CC)(CNc1nc(C)cc(C)c1C#N)SC 230920877 JBEQLPVWHFDNEA-UHFFFAOYSA-N 277.437 3.904 30 20 CHED CC(C)(C)CCCN1CCN(c2ccccc2C#N)CC1 1657151096 ZCRDZOYVZDTCEI-UHFFFAOYSA-N 285.435 3.507 30 20 CHED CCCC1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1664072209 PIRCHLQUGJUQEB-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=CCC[C@H](CC(C)C)C(=O)Nc1ccc(C(=O)O)cc1 1776166120 PUDJVFCBRFJIGL-CQSZACIVSA-N 289.375 3.952 30 20 CHED CC(=NO[C@H](C)c1ccccc1)c1cc(C(=O)O)ccc1O 1776082890 ACLLADKBKYUIEJ-GFCCVEGCSA-N 299.326 3.592 30 20 CHED CC[C@H](NN=C1CCC[C@@H](C2CCCCC2)C1)C(=O)O 1776067704 HSPBBZNQFRXAHT-HIFRSBDPSA-N 280.412 3.566 30 20 CHED CC[C@@H]1CC[C@@H](C)N1c1nc(C(F)(F)F)ccc1C#N 124487006 HXNLKSHIAXNKIB-MWLCHTKSSA-N 283.297 3.739 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(C#N)c1 19515563 SELNDJCYXLOSLV-CYBMUJFWSA-N 276.339 3.540 30 20 CHED C=C(C)C/N=C(/N)Nc1cccc(Oc2ccccc2)c1 162450570 HXMPRNDBXIUFHT-UHFFFAOYSA-N 281.359 3.782 30 20 CHED CCN(CC#N)Cc1ccc(Oc2ccccc2)c(F)c1 158023799 BMENTJLXSFHSJC-UHFFFAOYSA-N 284.334 3.963 30 20 CHED CC(=O)Nc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1 158967420 JCGGAHBJTAITAZ-KAMYIIQDSA-N 271.360 3.808 30 20 CHED C=CCOc1c(Cl)cc(Br)cc1C(C)=O 153479474 UZGKYZZACNRTNF-UHFFFAOYSA-N 289.556 3.870 30 20 CHED C#CCCCCNC(=O)N(Cc1ccccc1)CC1CCC1 155062546 WPRZJRMYTMXAKG-UHFFFAOYSA-N 298.430 3.802 30 20 CHED CCCCCCC[S@@](=O)c1ccc(COC)cc1 153905563 KOHVNDUTWVDRMK-SFHVURJKSA-N 268.422 3.911 30 20 CHED C=C(Cl)COC(=O)[C@H](C)Oc1ccc(Cl)cc1C 916609504 PEQZSZUMNFMMCN-JTQLQIEISA-N 289.158 3.711 30 20 CHED CCN(c1nccc(C#N)c1Cl)C1CCCCC1 233447881 JLIFEEIZMUVTKJ-UHFFFAOYSA-N 263.772 3.766 30 20 CHED C[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)C(C)(C)C 125386043 YSCCXGSPDVTARR-JTQLQIEISA-N 261.325 3.561 30 20 CHED N#Cc1c(F)cccc1NCc1ccccc1Cl 24980891 ORXSYHMBIZMYKJ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@@H]1CC[C@@H](Nc2c(Br)cccc2C#N)C1 1307210310 HAPDNQKIKKYFJY-MWLCHTKSSA-N 279.181 3.921 30 20 CHED Cc1cc(C)n(CCCNc2ccc(C#N)c(Cl)c2)n1 169261321 HHJOZHUUJHRXPO-UHFFFAOYSA-N 288.782 3.527 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1F)CC(C)C 41638435 XCTWDIRKMDDZNL-UHFFFAOYSA-N 262.372 3.811 30 20 CHED Cc1ccc(Cl)c(Oc2nnc(C)c(C)c2C#N)c1 40217330 PGIXIIODOIOXFX-UHFFFAOYSA-N 273.723 3.719 30 20 CHED C#CCCCCC(=O)Nc1nc2ccc(C)cc2s1 180032070 IPWKPVZHGGEEJO-UHFFFAOYSA-N 272.373 3.737 30 20 CHED C#CCCCCN[C@H](c1ccccc1)c1ccccn1 180941035 WJGGPMCOABIZMP-GOSISDBHSA-N 264.372 3.564 30 20 CHED C=CCCC[C@@H](C)Nc1ccc(C(F)(F)F)nn1 302004271 KDSNKLIPZVGOBG-SECBINFHSA-N 259.275 3.652 30 20 CHED C=C[C@@H]1CCCCN1c1ncc(Br)cc1F 624164651 AYYKSRWJPCHZFM-SNVBAGLBSA-N 285.160 3.528 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2ncc(C#N)cc2Cl)c1 358887158 WYYRQHMKOAZODS-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccccc1)C(C)(C)C 474286881 VIJOOYHTNNTUPL-MRXNPFEDSA-N 261.409 3.614 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(SC(F)F)c2)C1 709665835 QBJYRSQZGXPBGS-UHFFFAOYSA-N 296.342 3.880 30 20 CHED C#CCN(Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 796640615 ZZNFOUAQTDKWJN-SFHVURJKSA-N 299.801 3.509 30 20 CHED C=CCN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 58572168 QXLJCMSQMNLGEX-CQSZACIVSA-N 299.414 3.832 30 20 CHED C[C@H]1Cc2ccccc2[C@@H]1NCc1cccc(C#N)c1 111410804 GDQUSCYXYPYWJC-SCLBCKFNSA-N 262.356 3.581 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(F)c2)CC1 308075051 DAFPPSNFFHYODG-HAQNSBGRSA-N 274.339 3.852 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2cc(F)ccc2F)c1 103029845 OZRADFQSCRHBQL-UHFFFAOYSA-N 299.320 3.542 30 20 CHED COC(C)(C)C/N=C/c1cc(Cl)cc(Cl)c1O 173987544 QWFUZWAWUYORBN-GIDUJCDVSA-N 276.163 3.543 30 20 CHED COc1ccc(C#N)cc1CNC(C)(C)c1cccc(C)c1 179586435 FUQPNXKTDGBVNS-UHFFFAOYSA-N 294.398 3.900 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccccc1O 112183783 LCYRZGXLXJSIAH-UHFFFAOYSA-N 273.376 3.601 30 20 CHED C=CCNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 29546407 ONUCQOXDLKMISV-UHFFFAOYSA-N 286.400 3.849 30 20 CHED C#CCN(Cc1ccc(C#N)s1)[C@@H]1CCc2ccccc21 179203686 BHMVKCQGAIHQGF-GOSISDBHSA-N 292.407 3.742 30 20 CHED CC(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 119443247 PBJDDRYXSYAEDD-UHFFFAOYSA-N 263.340 3.681 30 20 CHED C=CCCCC(=O)N1C[C@H](C(C)C)Nc2ccccc21 176102861 HTNTUYXWNOUICY-OAHLLOKOSA-N 272.392 3.826 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 119973666 MALQWHXYUQZMSO-RHSMWYFYSA-N 270.376 3.862 30 20 CHED C#CCCCCNCc1cc(Cl)cc2cccnc12 119857504 QJRPQPVIWJLGTQ-UHFFFAOYSA-N 272.779 3.781 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cncc(-c3ccccc3)c2)C1 179971204 QLKZPZBJNJPBOD-GUYCJALGSA-N 292.338 3.598 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1cc(C)cc(C)c1 116957271 FFNUQQNIJHFASU-KBPBESRZSA-N 260.381 3.628 30 20 CHED Cc1cccc(NC(=O)CNc2cccc(C#N)c2C)c1C 179054038 VWYQMJUKLVASCE-UHFFFAOYSA-N 293.370 3.534 30 20 CHED CCSc1ccccc1OC(=O)Cc1ccc(C#N)cc1 172258288 PMBRWEYSEUWXLC-UHFFFAOYSA-N 297.379 3.818 30 20 CHED Cc1ccnc(N[C@@H]2CCCc3ccccc32)c1C#N 135074797 LRERHFUMCKGMHR-MRXNPFEDSA-N 263.344 3.751 30 20 CHED C/C(=C\C(=O)O[C@H](C#N)C1CC1)c1ccccc1Cl 177023926 XXNVYIJOWNBADL-QSYFUGGGSA-N 275.735 3.589 30 20 CHED C=CCCCSCCC(=O)Nc1ccc(OC)cc1 117944824 IIBFPCOQXRODSQ-UHFFFAOYSA-N 279.405 3.723 30 20 CHED N#CCCN(Cc1ccccc1OC(F)(F)F)CC1CC1 119103228 JDSMDWHXKYJRKB-UHFFFAOYSA-N 298.308 3.711 30 20 CHED CC[C@@H](CNc1ccc(C#N)nc1)Oc1cccc(C)c1 301595923 ZDEIKZLSEDBARY-INIZCTEOSA-N 281.359 3.531 30 20 CHED C[C@H]1CCCCN1CCCCNc1cccc(F)c1C#N 301094006 LTDXPMHHKOMSDB-AWEZNQCLSA-N 289.398 3.764 30 20 CHED C[C@H]1CCC[C@H](N(C)c2nc(Cl)c(C#N)s2)C1 310461684 AXILBICQWCIJOB-IUCAKERBSA-N 269.801 3.683 30 20 CHED C=CCCCC(=O)N(C)c1cc(Cl)ccc1C#N 177749437 IDRVWUXHODHBQF-UHFFFAOYSA-N 262.740 3.531 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1cccc(C#N)n1 301865571 VBSAHABMFYHSGU-CQSZACIVSA-N 281.359 3.980 30 20 CHED C=CCCC(=O)OCc1ccc2cc(OC)ccc2c1 60364889 MRPXQOJORBFHRP-UHFFFAOYSA-N 270.328 3.858 30 20 CHED Cc1cccc2c1[C@@H](Nc1ccc(OCC#N)cc1)CC2 1340030980 VAASKQSWLJBFOJ-KRWDZBQOSA-N 278.355 3.997 30 20 CHED C/C(=C/C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 63962404 HAMGJGSCCAPCFG-UVTDQMKNSA-N 276.339 3.909 30 20 CHED C=C(C)CNC(=O)c1cc(CC)c(CCC)s1 122968413 LPKITMBXEYXFBH-UHFFFAOYSA-N 251.395 3.569 30 20 CHED C[C@H](NC(=O)CSc1cccc(C#N)c1)c1ccccc1 177100604 UBZSQIABOLRPES-ZDUSSCGKSA-N 296.395 3.528 30 20 CHED C[C@@H](C#N)CNc1ccnc2cc(C(F)(F)F)ccc12 302033320 DAVGINFBUCNBAY-VIFPVBQESA-N 279.265 3.825 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1ccccc1Cl 120206431 MLDUMRVVQIGZGH-NEPJUHHUSA-N 282.767 3.925 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](C)[C@@H]1C 181381440 GHEYPTBLKUNMKZ-RDBSUJKOSA-N 252.402 3.561 30 20 CHED COCc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 37762646 XGBLSEMAMOMDTF-CQSZACIVSA-N 280.371 3.555 30 20 CHED C=CCC[C@H](NC[C@@H]1CCN(c2ccccc2)C1)C1CC1 120118259 FNZPADUZUJQSCK-LPHOPBHVSA-N 284.447 3.847 30 20 CHED C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(C#N)cc1F 128904385 MWPICUVDWMVSBC-QMTHXVAHSA-N 290.363 3.683 30 20 CHED N#C[C@H](C(=O)C1CCCCCCC1)c1ccccn1 76824269 RDPWDAGLSRPVNG-AWEZNQCLSA-N 256.349 3.618 30 20 CHED C=CCC[C@@H](NCCC[C@H]1CCCCO1)C1CC1 183997212 IFAFHTSKJGSWQY-HZPDHXFCSA-N 251.414 3.670 30 20 CHED O=C(/C=C/c1ccc(Br)cc1)c1ccncc1 38258518 CXVPKJYBKLULNN-ZZXKWVIFSA-N 288.144 3.740 30 20 CHED CC(C)(NC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 76908111 RPGDATOOTOJDEQ-UHFFFAOYSA-N 297.333 3.754 30 20 CHED C=CCC(C)(C)CNc1ccc([N+](=O)[O-])cc1COC 432149362 UUPVNQDQKFAKJW-UHFFFAOYSA-N 278.352 3.755 30 20 CHED CCOc1c(Cl)cc(CN[C@H](CC)CC#N)cc1OC 184090072 KLHDUTONYFHKSK-GFCCVEGCSA-N 296.798 3.529 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1Br 478951943 JYASNKHJJITROG-UHFFFAOYSA-N 296.208 3.668 30 20 CHED O=C(/C=C/c1cccs1)c1cccc(F)c1F 182724987 DMTNRBYDBFAYGZ-VOTSOKGWSA-N 250.269 3.922 30 20 CHED C[C@H](C#N)CN[C@H](C)CCc1cccc(C(F)(F)F)c1 185573831 STGCXALGOUCPQZ-VXGBXAGGSA-N 284.325 3.776 30 20 CHED N#CCCN(C(=O)c1ccccc1F)c1ccc(F)cc1 72678653 VZELVSFYXFJPRF-UHFFFAOYSA-N 286.281 3.525 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(O)c(C)c1 500009769 WSXNSSSNRAPTCX-UHFFFAOYSA-N 287.403 3.909 30 20 CHED CCc1cc(C#N)ccc1OCC1CC(F)(F)C1 418997963 PIDYDSIKUCGCPR-UHFFFAOYSA-N 251.276 3.545 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1nc(C)c(SCC#N)s1 183165905 XUOFOMHGEYGBGV-RKDXNWHRSA-N 297.449 3.688 30 20 CHED N#CC1(CNCCCCCOc2ccccc2)CCC1 418140037 IMACBJHMCMHOOH-UHFFFAOYSA-N 272.392 3.519 30 20 CHED N#CCC1CCN(Cc2cscc2Br)CC1 336486543 IWJZVGURELPCFY-UHFFFAOYSA-N 299.237 3.636 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](C)CCSC)c1 77284341 VOJATSRCHRWHQV-LBPRGKRZSA-N 294.420 3.515 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1cncc(F)c1 78023033 KLYJOJJLFOMYME-BQYQJAHWSA-N 271.291 3.516 30 20 CHED N#Cc1ccc(NC(=O)/C=C\c2cccs2)cc1Cl 213163323 XWECOAYRBURCKT-WAYWQWQTSA-N 288.759 3.925 30 20 CHED C=CCN(Cc1cccs1)[C@@H](C)c1ncc(C)o1 411137545 OTPWDNSMMHKLHL-LBPRGKRZSA-N 262.378 3.794 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1cccc(C)c1C 182947011 BEYVVRPJQDPLGK-AWEZNQCLSA-N 260.381 3.582 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)NCCCSCC#N 181662418 FDMHXVZTDPCSHC-MRXNPFEDSA-N 294.439 3.629 30 20 CHED N#Cc1ccc(CN(C[C@@H]2C[C@H]3C=C[C@H]2C3)C2CC2)cc1 506547130 PAJWCYGFHMKOHX-BZSNNMDCSA-N 278.399 3.735 30 20 CHED C=CCOCCSCc1csc(C(C)C)n1 419391908 XMVFVJHETBFSJZ-UHFFFAOYSA-N 257.424 3.702 30 20 CHED C#CCCOc1ccc(CNc2cccc(C#C)c2)cc1 130456912 VYAUIPMKJFKJPJ-UHFFFAOYSA-N 275.351 3.682 30 20 CHED CC(C)c1csc(N=C(O)[C@@H]2CCC(=O)[C@@H](C)C2)n1 328910558 FSWOXJXNEKXIPO-VHSXEESVSA-N 280.393 3.860 30 20 CHED C=CCCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 338568480 NEWBLAVQZYHLPH-SNVBAGLBSA-N 290.354 3.917 30 20 CHED CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1cccs1 87823989 BFJAFAGUBPTHOT-CQSZACIVSA-N 286.400 3.869 30 20 CHED CCC(CC)CNC(=O)N[C@H](CCC#N)c1ccccc1 132783805 HMZAENAGYAKQJG-MRXNPFEDSA-N 287.407 3.767 30 20 CHED C=CCCCN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 192037950 KRBLEHKEENMQEV-LSDHHAIUSA-N 265.784 3.726 30 20 CHED C#CCCCC(=O)N1CC=C(c2ccc(CC)cc2)CC1 190578009 VPALEBMINRXBCF-UHFFFAOYSA-N 281.399 3.668 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CC[C@@H](C)c1ccccc1 137016577 LXEARALVAZKRFX-PBHICJAKSA-N 272.392 3.625 30 20 CHED CO[C@@H]1CCC[C@@H](C(O)=Nc2cnc3c(c2)CCCC3)C1 329012277 DXXOMQZVGIHBAC-UKRRQHHQSA-N 288.391 3.754 30 20 CHED C=C(C)CCN[C@](CC)(C(=O)OC)c1ccc(Cl)cc1 512237105 MRUVLAIULDBMPL-INIZCTEOSA-N 295.810 3.674 30 20 CHED COCCOc1cccc(/C=C/C(=O)C2CCCCC2)c1 80038778 SYOUAILAOYFJLT-ZHACJKMWSA-N 288.387 3.874 30 20 CHED N#Cc1cc(CN2CCCc3sccc3C2)ccc1F 610719798 USKCPPYDURQUBK-UHFFFAOYSA-N 286.375 3.707 30 20 CHED N#Cc1cccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)c1 195252215 JGKNWYZSLVZXBW-RBUKOAKNSA-N 292.382 3.568 30 20 CHED C=C[C@@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] 426569695 CUSWXRFVRFKRDB-LOWQCSRCSA-N 272.348 3.649 30 20 CHED CC(C)COc1ccc(OC[C@@H](C#N)CCC#N)cc1 191390560 UUHCBSPZOSIBIH-CQSZACIVSA-N 272.348 3.544 30 20 CHED CCC[C@@H](C#N)NC(=O)c1c(C)c(CC)nc2ccccc12 89527629 HZQSRKBMJCJHBK-ZDUSSCGKSA-N 295.386 3.528 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NCc1ccc(C#N)s1 421606185 ZJJLHELZXXNTMH-LLVKDONJSA-N 278.421 3.698 30 20 CHED C=C1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 264444222 GLYJFTAKMGQLLM-UHFFFAOYSA-N 289.766 3.542 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc2cccnc12 191806530 LFXIIYPZBNALDK-MRXNPFEDSA-N 254.333 3.776 30 20 CHED C=CCC1(C(=O)N2CCc3c(F)cc(F)cc3C2)CCC1 336570269 RWUBBUDDUVUTPA-UHFFFAOYSA-N 291.341 3.596 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@H](c2ccccc2)C1 513769446 LKNFRPHWSIDTQY-QAQDUYKDSA-N 290.366 3.543 30 20 CHED Cc1ccc(-c2nnc(S[C@@H]3CC[C@H](C#N)C3)o2)cc1 336113012 BAKMHOLYIQDZSO-WCQYABFASA-N 285.372 3.829 30 20 CHED CC(C)=CCC/N=C(/O)N[C@@H](C)c1cc(C)oc1C 331077021 MAJZCDJMKAPONV-LBPRGKRZSA-N 264.369 3.817 30 20 CHED C=CCCCCCOc1ccc(C=O)cc1[N+](=O)[O-] 232585994 RUNAUSVLWWDMTQ-UHFFFAOYSA-N 263.293 3.533 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/[C@H]2C=CCCC2)c1C 330102399 GCVVLMZAYIZGIA-AAEUAGOBSA-N 276.384 3.597 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCCCC2(F)F)CC1 336224570 MDGIQNOORKCOAJ-HSBZDZAISA-N 270.367 3.874 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC(F)F)c1ccccc1 422258355 JTYCZVSSCBWZFP-AWEZNQCLSA-N 294.345 3.767 30 20 CHED C[C@H]1CCC[C@H](Nc2snc(Cl)c2C#N)C1 48558758 BQXOXVRXLRFDRI-YUMQZZPRSA-N 255.774 3.659 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC3(CCCC3)C2)cc1 93336594 YZZVTGFSLPEMTO-HNNXBMFYSA-N 284.403 3.744 30 20 CHED C[C@@H]1OCC[C@@H]1Sc1ccc(C#N)c(Br)c1 235340451 TYGZKMLEMWICFU-UFBFGSQYSA-N 298.205 3.590 30 20 CHED Cc1cc(C#N)ccc1OCCCCC1CCOCC1 531953244 DGTJALQZIHEXJF-UHFFFAOYSA-N 273.376 3.842 30 20 CHED C#CCOc1ccccc1CNC/C=C/c1ccccc1 236687012 DAIFEDNUYNKMNP-DHZHZOJOSA-N 277.367 3.502 30 20 CHED C[C@H](c1ccco1)N(Cc1cc(C#N)cs1)C1CC1 92484206 WDSRGRKNWXYHLL-LLVKDONJSA-N 272.373 3.938 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 435802933 ZKJYEMKZQSXQHM-WMLDXEAASA-N 299.418 3.697 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 438066373 KUPHAEUOYFADDC-JLSDUUJJSA-N 293.451 3.642 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)c1ccc(F)c(C#N)c1 335468301 SNCDBJGRYBGFIB-GFCCVEGCSA-N 282.318 3.531 30 20 CHED N#CCCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 231642174 UKBHRSWPSBCPRM-UHFFFAOYSA-N 275.091 3.584 30 20 CHED C=C1CCN(Cc2nc3cc(C)ccc3s2)CC1 528382630 RDPPCMBFYMXJKR-UHFFFAOYSA-N 258.390 3.757 30 20 CHED CSc1ccccc1C[C@H](C)NCC1(CC#N)CC1 430742469 MCIAOHVNWKPITL-ZDUSSCGKSA-N 274.433 3.623 30 20 CHED CCN(CC1CCC1)C(=O)Nc1cc(C#N)ccc1C 432004956 BAJJHBFDNQXYHT-UHFFFAOYSA-N 271.364 3.521 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)CCc1ccco1 432261249 ABKQUCBVZIRTLX-GFCCVEGCSA-N 297.358 3.603 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2scnc2c1 439524016 YECSUYBOWDESGJ-SNVBAGLBSA-N 275.377 3.773 30 20 CHED C=CCN1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 348106728 ICYAUXMVPGUTFF-INIZCTEOSA-N 285.366 3.929 30 20 CHED CC(C)OC1CCN([C@H](C)c2cccc(C#N)c2)CC1 527190493 ADAHJJCLFOBQGO-CQSZACIVSA-N 272.392 3.509 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](CC)OC1CCCC1 606813891 DLPMXGXOCQUHMA-INIZCTEOSA-N 281.440 3.929 30 20 CHED N#CC1(CN2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 343318282 FPMUIVKGYOQDPH-CQSZACIVSA-N 292.835 3.734 30 20 CHED C=C[C@@H](C)NC(=O)Nc1c(C)cc(C)cc1Br 431970803 QUMUCZLGGUFWGK-SNVBAGLBSA-N 297.196 3.762 30 20 CHED N#CC1(CN2CCSC[C@H]2c2ccc(Cl)cc2)CC1 343317724 FPMUIVKGYOQDPH-AWEZNQCLSA-N 292.835 3.734 30 20 CHED C[C@@H]1CC[C@@H](c2noc(C[C@H](CC#N)c3ccccc3)n2)O1 528242207 PZWCZNIIXZFONC-SNPRPXQTSA-N 297.358 3.550 30 20 CHED Cc1cc(C)c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)s1 601534644 GOOIIKNLISRNNX-OAHLLOKOSA-N 296.395 3.654 30 20 CHED CCc1ccc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)o1 255591058 VDJUIVJWHCDQKK-VURMDHGXSA-N 272.348 3.759 30 20 CHED Cc1nc(C)c(C#N)c(SCc2c(C)cccc2C)n1 348157289 GZHVUWQMTQJLQP-UHFFFAOYSA-N 283.400 3.874 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)cc1 521269585 HGAGYYOYNHLOLH-GXTWGEPZSA-N 256.349 3.713 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1ccc(F)cc1F 602500616 BXBRDLDOGMWFKE-WDEREUQCSA-N 252.308 3.555 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 351169136 QKNRQEMOPJBWQU-ZFWWWQNUSA-N 286.423 3.501 30 20 CHED Cc1cc(CNCc2ccc3ncccc3c2)ccc1C#N 355273420 AMHLZOOIFWUCFI-UHFFFAOYSA-N 287.366 3.705 30 20 CHED Cn1cc(CNC[C@H]2CCC[C@@H]2c2ccccc2)cc1C#N 449403037 UTBCQBWBKXHOEL-IEBWSBKVSA-N 293.414 3.570 30 20 CHED C=CCN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 353154281 MCTMERQWNQXDQS-GFCCVEGCSA-N 254.255 3.547 30 20 CHED Cc1cc(NC(=O)NCC2CCC(C#N)CC2)cs1 603147937 CKNNAJIUIXOEKK-UHFFFAOYSA-N 277.393 3.508 30 20 CHED CC(C)[C@@H](CNc1cnccc1C#N)c1ccccc1 538743246 NSEDXEUSXKGCSO-MRXNPFEDSA-N 265.360 3.805 30 20 CHED C[C@H]1CCN(C[C@H](C)CCC#N)CCN1Cc1ccccc1 602482653 PFGMXPQNLRAHLG-MSOLQXFVSA-N 299.462 3.523 30 20 CHED C[C@H](CCC#N)CN[C@H](CN1CCCCC1)c1ccccc1 602534683 JCUCJRYIDAJREB-IEBWSBKVSA-N 299.462 3.743 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C#N)ccc1NC1CC1 355656274 TZDNDYAOFHUFFX-NWDGAFQWSA-N 285.391 3.753 30 20 CHED C=C(CC)CSCCOCc1ccc(OC)cc1 611339593 WFDRHPRJLCQNJY-UHFFFAOYSA-N 266.406 3.911 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@@H]1CCCCC1(C)C 611030159 ZZYSFHROEMKFJZ-UONOGXRCSA-N 264.413 3.647 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC(C)(C)c1cccs1 530604238 VPDGCIAHZZRPSD-UHFFFAOYSA-N 299.399 3.985 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H]1CCc2c(Cl)cccc21 611414103 KSBKJCHVSHXJJD-AWEZNQCLSA-N 290.794 3.520 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCC[C@](C)(C#N)C1 612488729 XLVTUBVGMMQWKO-XJKSGUPXSA-N 264.413 3.601 30 20 CHED C=CCC1(C(=O)N[C@H](C)CCSCC)CCCC1 449998334 HNZDQOYBYAKJPY-CYBMUJFWSA-N 269.454 3.771 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C)CC[C@H]1C 359255600 RCHYCKVUEBXTIT-ZIAGYGMSSA-N 288.439 3.747 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(Cl)sc1Cl 449022340 IDYNHYMGTZQHTN-SSDOTTSWSA-N 263.193 3.789 30 20 CHED N#Cc1c(CN2CCC[C@H]3CCC[C@@H]32)cn2ccccc12 441432718 FGWCDDHYOIOFND-PBHICJAKSA-N 279.387 3.575 30 20 CHED C=CC[C@H](C)NC(=O)NCc1cc(Cl)sc1Cl 536121714 NROFTWJDZDRLEI-ZETCQYMHSA-N 293.219 3.819 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(F)cc2)no1 264622304 MNDYTDIMPYXRDK-JTQLQIEISA-N 262.284 3.529 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H](CC)CC1 537199389 NSYDSESRVHWWBQ-MRXNPFEDSA-N 281.440 3.788 30 20 CHED C=C(CC)CNc1ccc(NC(C)=O)cc1Cl 358649752 FLIYAXKDZZWEJI-UHFFFAOYSA-N 252.745 3.677 30 20 CHED C=CCCC1(C(=O)Nc2ccc(O)c(Cl)c2)CC1 356514391 LJHSYRKXVRDXFD-UHFFFAOYSA-N 265.740 3.731 30 20 CHED CCCN(CC#N)CCCc1c(F)cccc1Cl 447735724 GTNNRVZAFKXKKD-UHFFFAOYSA-N 268.763 3.647 30 20 CHED C=CCC1(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)CCC1 359208954 PFBMFFVWSQLVGH-AWEZNQCLSA-N 261.409 3.770 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H]2Cc2ccccc2)CC1 356293358 AMRHJRJYFFHOND-MRXNPFEDSA-N 269.388 3.576 30 20 CHED CC[C@@H](O)CCCNc1cc(C#N)ccc1C(F)(F)F 357501191 HYZRZDVHKJVKLU-LLVKDONJSA-N 286.297 3.540 30 20 CHED Cc1ccc(C(C)(C)CN(C)C(=O)C2(C#N)CC(C)C2)cc1 531568130 DNVCGVZLUWWURG-UHFFFAOYSA-N 298.430 3.671 30 20 CHED C=CCOc1ccc(CNCc2ccn(C)c2)cc1Cl 267108368 QQHQOMKCBDQRLR-UHFFFAOYSA-N 290.794 3.533 30 20 CHED N#CC1(C(=O)NCc2coc3ccccc23)CCCCC1 265146719 USZYHUOVMNDLCL-UHFFFAOYSA-N 282.343 3.523 30 20 CHED C=CCCSCCCOc1ccc([N+](=O)[O-])cc1 610092511 NLVPVMQSKMMWSM-UHFFFAOYSA-N 267.350 3.673 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1ccc(C#N)c(C#N)c1 361712066 ODCPFNLXXLCAGV-MRXNPFEDSA-N 269.348 3.585 30 20 CHED CC(C)Oc1cc(CN(CC2(C#N)CCC2)C2CC2)ccn1 450612003 JTYWCJRBPINPFB-UHFFFAOYSA-N 299.418 3.527 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cccc2c1CCCC2 451775139 OFTZHJPIDKNANY-UHFFFAOYSA-N 284.403 3.625 30 20 CHED C=CC(C)(C)C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 452129251 BAMAVVKDCQSKLC-PHIMTYICSA-N 277.330 3.778 30 20 CHED N#Cc1ccccc1/C=C/c1nc(-c2ccccc2F)no1 612869785 IRZSUYSUOPCMIM-MDZDMXLPSA-N 291.285 3.918 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H]1CCCC[C@H]1CC 459085787 WALRPPGUTOPUGD-KGLIPLIRSA-N 252.402 3.563 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)C2CC=CC2)cc1C#N 452679766 KHGZWHCMYVNFPL-UHFFFAOYSA-N 284.359 3.640 30 20 CHED Cc1ccc(C#N)nc1N[C@@H](C)CCc1ccccc1 611398711 NRXTWOBMQVIIQD-AWEZNQCLSA-N 265.360 3.695 30 20 CHED Cc1[nH]c2ccc(-c3noc([C@]4(C#N)C[C@@H]4C)n3)cc2c1C 453088810 OFYDAFCSTGSUIL-XYZCENFISA-N 292.342 3.636 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC[C@]2(CCc3ccccc3O2)C1 365601507 KTMFVWHOZNNLBR-DNVCBOLYSA-N 299.414 3.585 30 20 CHED C=CCC1(C(=O)N2CCC[C@@](C)(OC)C2)CCCCC1 451321649 DGOYGCPJDPHRCV-MRXNPFEDSA-N 279.424 3.541 30 20 CHED C=CCCOCCN[C@H]1C[C@H](C)c2c(C)cccc21 540151712 SWPKALNQIKSFHJ-HOCLYGCPSA-N 259.393 3.726 30 20 CHED CC(C)Oc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 274636400 QAQZRPXAHYXLDW-LZWOXQAQSA-N 272.392 3.817 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](c1ccccc1)C(F)(F)F 547518880 KASLTHGAVFQIPE-CYBMUJFWSA-N 298.308 3.674 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/C1CC(F)(F)C1 277565510 XNNQGTIBZFPSGP-FZSIALSZSA-N 280.101 3.916 30 20 CHED C=C(Cl)CNC1CCN(Cc2ccc(Cl)cc2)CC1 272929109 SFKFIHMVTCMUSC-UHFFFAOYSA-N 299.245 3.647 30 20 CHED C=CCC1(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)CCCC1 451686029 ZNSNVQODGRKCQT-GJZGRUSLSA-N 261.409 3.772 30 20 CHED C=CCCc1nc(Cc2ccccc2Br)no1 546994574 PRVVDHMQUFEWGF-UHFFFAOYSA-N 293.164 3.542 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2cnccc2c1 620864804 OVOBGTUJPLXCMM-UHFFFAOYSA-N 268.360 3.709 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)c(-c2ncco2)c1 276057266 IFFCEGIHSKLUPX-UHFFFAOYSA-N 285.347 3.690 30 20 CHED C=CC(C)(C)CNC(=O)NC[C@H]1CCCCC(F)(F)C1 454995797 TWDAZBIHTCEVGX-LBPRGKRZSA-N 288.382 3.713 30 20 CHED C[C@H](N[C@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 271868242 MANAIIMAIPUNEW-HNAYVOBHSA-N 294.398 3.723 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(C#N)ccc1C 271639451 ZWCWSOOXETYPIO-OCCSQVGLSA-N 271.364 3.662 30 20 CHED CCC[C@@H]1CCCC[C@H]1NCCCSCC#N 547832866 FVYQKBCLAXHLDZ-ZIAGYGMSSA-N 254.443 3.582 30 20 CHED CCCCN(C(=O)c1ccc(CC#N)cc1)[C@H](C)CC 270414324 IZGOUDSHVWAXAZ-CQSZACIVSA-N 272.392 3.793 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(COCC)cc1 466431317 NLZKOPYDLHBPLV-CYBMUJFWSA-N 261.365 3.764 30 20 CHED CC[C@H](C)CN(CC)C(=O)c1ccc(C(C)(C)C#N)cc1 279706143 AENHSLBIQVWZOS-AWEZNQCLSA-N 286.419 3.996 30 20 CHED Cc1ccc(C)c(OCCSCC2(C#N)CC2)c1 540614602 UFSDAMYCKAQRJQ-UHFFFAOYSA-N 261.390 3.719 30 20 CHED CN(Cc1c(Cl)cccc1Cl)C(=O)CC(C)(C)C#N 278195269 FHDSKMLUHJXTDB-UHFFFAOYSA-N 299.201 3.892 30 20 CHED C=C(C)[C@H](NCc1nnc(C)s1)c1ccc(F)c(F)c1 274840036 CNUQOBRXLUEFNS-AWEZNQCLSA-N 295.358 3.532 30 20 CHED C[C@H](c1noc(Cc2ccc(C#N)cc2)n1)C(C)(C)C 546437610 DMGNNZAUPGMZBV-LLVKDONJSA-N 269.348 3.682 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccccc1F)C1CC1 466391486 ZRZJJFHVUJYSGV-CQSZACIVSA-N 290.382 3.854 30 20 CHED N#CCCCCNC(=O)CCSc1cccc(Cl)c1 289462233 VFWIIAHQPITUHT-UHFFFAOYSA-N 296.823 3.632 30 20 CHED C=C(C)CCc1noc(-c2csc([C@H]3CCCO3)n2)n1 284956029 ACBVOVZDGXQCSS-LLVKDONJSA-N 291.376 3.553 30 20 CHED CC(C)(C#N)CC(=O)N1CC(C)(C)[C@@H]1c1cccs1 288545486 YZDHTNMKXMVZSZ-ZDUSSCGKSA-N 276.405 3.597 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc2cc(OC)ccc2c1 287243154 OYIOKAPNMRDZIK-AWEZNQCLSA-N 297.358 3.662 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)CC(F)(F)F 464396614 PLJLWPFTNHRLKC-LLVKDONJSA-N 280.334 3.715 30 20 CHED CC#CCSc1nnc(-c2cccc(C)c2)n1CCC 463046499 ZBHMCZDEIYIELQ-UHFFFAOYSA-N 285.416 3.779 30 20 CHED CCOC1CC(CN(CC)[C@H](C)c2ccc(C#N)cc2)C1 286091046 UFTLYWMOPDLHHL-MXWWQKGMSA-N 286.419 3.756 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(c2ncccc2C#N)C1 286360510 KVSPWWMUGUOZNW-CZUORRHYSA-N 263.344 3.541 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(OCC)cc1 280715133 DYMZVABWQWMRNW-LESCRADOSA-N 289.419 3.717 30 20 CHED CN(Cc1c(Cl)cccc1Cl)CC(C)(C)C#N 556910061 SXDSSZFQUFBTFG-UHFFFAOYSA-N 271.191 3.975 30 20 CHED Fc1ccc(C#CCN2CCC(CC(F)(F)F)CC2)cc1 551709078 YKBZKIATXTWMLC-UHFFFAOYSA-N 299.311 3.842 30 20 CHED C=CCCc1nc(-c2cc(OC(F)F)ccc2F)no1 551321807 HSOOZWMALJUHCS-UHFFFAOYSA-N 284.237 3.596 30 20 CHED Cc1ccc(C(=O)N2CCCc3cc(C#N)ccc32)c(C)c1 297894102 WBAMBLDUIQDBDF-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C[C@H](CCc1ccco1)N=c1c(C#N)c[nH]c2ccccc12 385912232 WEEMBGKBJPDKBZ-CYBMUJFWSA-N 291.354 3.555 30 20 CHED C#CCC1(C(=O)N[C@H]2c3ccccc3O[C@H]2C)CCCCC1 809338114 RCRJSAZJKWGGLQ-WMLDXEAASA-N 297.398 3.599 30 20 CHED C#Cc1cc(F)c(NCc2ncc(C(C)C)o2)c(F)c1 802746028 ZALMIKWZHQJHLO-UHFFFAOYSA-N 276.286 3.670 30 20 CHED C=CCC[C@@H](NCC(C)(C)c1ccccn1)C1CC1 297163810 DAFDYRBHZKUTJD-OAHLLOKOSA-N 258.409 3.694 30 20 CHED Cc1ccc([C@@H]2CCCN2c2cc(C)nc(C#N)c2)cc1 561143845 LCEZLHKQAPDHJJ-SFHVURJKSA-N 277.371 3.912 30 20 CHED CCC1(CC)CCC(NC(=O)Cc2ccc(C#N)cc2)CC1 475069074 QFCSWLFUHXPHDD-UHFFFAOYSA-N 298.430 3.966 30 20 CHED C[C@@H]1Oc2ccccc2[C@@H]1/N=C\c1cc(Cl)ccc1O 809144110 DFTGYSHRPUVXDP-NTBUBOBLSA-N 287.746 3.987 30 20 CHED C#Cc1cc(F)c(NCc2ccc(F)c(F)c2)c(F)c1 802743790 ACMCEDJRQYRLHO-UHFFFAOYSA-N 279.236 3.836 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccccc1OC 299250529 BLWXFQYXYULCET-OAHLLOKOSA-N 295.382 3.558 30 20 CHED CC[C@H](C)n1nc(C(=O)Nc2cccc(C#N)c2C)cc1C 479101871 GIZVIWRFQYSLBZ-NSHDSACASA-N 296.374 3.595 30 20 CHED C=CCN(CCC#N)C(=O)Nc1c(C)cccc1Cl 297000756 VAJSNNMINRIXNB-UHFFFAOYSA-N 277.755 3.582 30 20 CHED C=CCCCCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 805220528 VJQWAVPIQTWUPX-UHFFFAOYSA-N 294.326 3.600 30 20 CHED C=CCN(Cc1ccccc1)c1nnc(CC)n1CC(=C)C 564620746 GVHLJCODDTWITR-UHFFFAOYSA-N 296.418 3.609 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 565535903 WCSNTXOBPZGZKP-UNEWFSDZSA-N 276.424 3.791 30 20 CHED CN(C(=O)NCCCCC#N)[C@@H]1CCC[C@H]1c1ccccc1 297803413 WHDRBOLEDQIAJQ-DLBZAZTESA-N 299.418 3.658 30 20 CHED C=C(C)[C@@H](NC(=O)NC1CC(C)C1)c1ccc(F)c(F)c1 477194555 SCKXPXVAWNTSHS-MBRGGSNBSA-N 294.345 3.680 30 20 CHED CCc1nocc1CSCc1ccc(C#N)cc1 569823820 ASGQWFUDMCJVKZ-UHFFFAOYSA-N 258.346 3.542 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H](C(C)(C)C)C1 474644435 MAPZBHUDSJHEGN-AWEZNQCLSA-N 266.429 3.810 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CC=C(C)CC1 564759411 WMCFBUHPYIWWGZ-UHFFFAOYSA-N 294.402 3.596 30 20 CHED CC(C)(C)[C@@H](Nc1ccnc(C#N)n1)c1cccc(F)c1 569120042 ASAXNPRDSQASMK-HNNXBMFYSA-N 284.338 3.687 30 20 CHED C=CCN(C(=O)c1n[nH]c2c1CCCCC2)c1ccccc1 647741706 DMATYHUBUYTJDT-UHFFFAOYSA-N 295.386 3.511 30 20 CHED CCC(CC)CN(CC)C(=O)C1(c2cccc(C#N)c2)CC1 480608899 HIMVDRNIEZKWCI-UHFFFAOYSA-N 298.430 3.875 30 20 CHED N#Cc1ncccc1SCCC1(C#N)CCCCC1 568234068 COMYREVFCGXKJS-UHFFFAOYSA-N 271.389 3.910 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cc(N)ccc1F 814753742 XTGXDIHMOLVNCT-UHFFFAOYSA-N 271.339 3.861 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 563490190 BKGZUZJJPVKDAV-GWCFXTLKSA-N 297.383 3.666 30 20 CHED CCCC(=NNc1nccnc1C1CCC1)c1cccnc1 814932431 ZAKSHIJBKDCONJ-UHFFFAOYSA-N 295.390 3.755 30 20 CHED FC(F)(F)c1cccc(NN=C2CC[C@@H]2C2CC2)n1 814853393 MBNMIXKLDCZIDC-SECBINFHSA-N 269.270 3.688 30 20 CHED C=CCCOCc1nc(-c2ccc(C)c(Cl)c2)no1 651312091 ISOJBXLROIIFLX-UHFFFAOYSA-N 278.739 3.791 30 20 CHED Cc1sccc1C=NNc1ncnc2sccc12 814765334 BIPAZXYRTBXDNQ-UHFFFAOYSA-N 274.374 3.507 30 20 CHED C=C(C)[C@@H](NC(=O)[C@@H](CC)OCC)c1ccc(F)c(F)c1 574858037 XINRSLHGRLCBAS-HUUCEWRRSA-N 297.345 3.513 30 20 CHED CO[C@H]1CCOc2c(NCC(C)(C)CCC#N)cccc21 570911456 QTVICAIIKCVBBM-HNNXBMFYSA-N 288.391 3.898 30 20 CHED N#Cc1c(F)cccc1/C=C1/C(=O)Nc2cc(Cl)ccc21 811684884 DUBWMVXVNWLEPF-WUXMJOGZSA-N 298.704 3.843 30 20 CHED Fc1cc(Cl)c(NN=C[C@@H]2CCCOC2)c(Cl)c1 814891034 LKFKMRSRDHCCPU-QMMMGPOBSA-N 291.153 3.957 30 20 CHED C[C@H]1COC(C)(C)CN1c1ccc(C(F)(F)F)c(C#N)c1 487111485 JSUARWTWESZAIH-JTQLQIEISA-N 298.308 3.581 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1c[nH]c2ccccc12 811668186 LKUWEVSOHJBDRB-AWEZNQCLSA-N 293.370 3.559 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](C)c1cccc(C)c1C 810411331 MHUCAOKYLWMCQE-INIZCTEOSA-N 291.394 3.705 30 20 CHED c1ccc(C2CC(=NNc3cnc4ccccc4n3)C2)cc1 814830235 CZKLNBICPJHYHR-UHFFFAOYSA-N 288.354 3.975 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1cccc(Cl)c1Cl 488561027 QBTXHFSNNVWSJT-SECBINFHSA-N 287.190 3.930 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 488569106 SIHARGKOVUZIDC-TUKIKUTGSA-N 292.810 3.912 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCc1ccc(F)cc1C#N 728631618 YOYRWUQYMZABPL-GFCCVEGCSA-N 277.339 3.813 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)s2)cc1 486639201 JIHQVGNIKMLEAE-OAHLLOKOSA-N 296.395 3.906 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(OC)cc2F)no1 576431457 AQYXDRNFHBMADC-MRXNPFEDSA-N 290.338 3.662 30 20 CHED C=C(Cl)COC(=O)C[C@H](C)c1ccccc1F 726840246 AWUHFEWGMXBGGJ-VIFPVBQESA-N 256.704 3.615 30 20 CHED CCN(Cc1cc2c(C)cc(C)cc2[nH]1)C[C@H](C)C#N 481890026 FXXJCBLORXHFHZ-CYBMUJFWSA-N 269.392 3.766 30 20 CHED CC(Cc1ccsc1)=NNc1cccc(C#N)c1 729635148 FHKFFEGOPXSBPL-UHFFFAOYSA-N 255.346 3.650 30 20 CHED C=CCC[C@@H](N=c1ccc(C#N)c(C)[nH]1)c1ccccc1 488096035 XWJLTTPOEFFWDB-QGZVFWFLSA-N 277.371 3.803 30 20 CHED C#CCCOc1ccc(C(=O)N2CCC[C@H]2C(C)(C)C)cc1 823118184 QLKGPSBPPDGHMF-KRWDZBQOSA-N 299.414 3.739 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccc(C(F)F)cc1 574663071 IOVPPTCQURBKNM-UHFFFAOYSA-N 288.359 3.895 30 20 CHED C=CCNC(=S)N[C@H](C)c1ccc(SCC)cc1 728793265 VUVWUWWMYLWBJW-LLVKDONJSA-N 280.462 3.510 30 20 CHED C#CC1CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1 826716149 UXQHYHLZSAALRU-UHFFFAOYSA-N 295.773 3.609 30 20 CHED CN(C(=O)CCCC#N)c1nc2c(Cl)cccc2s1 571927213 SGQNHIHEQZSRAY-UHFFFAOYSA-N 293.779 3.606 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(F)cc1O 727779419 BHWGIWXGWNSYLF-UHFFFAOYSA-N 280.249 3.646 30 20 CHED Cc1ccnc(N[C@H](C)CCCC(F)(F)F)c1C#N 493541320 FINFOJSSLGFKHG-SNVBAGLBSA-N 271.286 3.795 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H]1c1ccccc1 588269292 ODJHUMYNFHXZCW-MRXNPFEDSA-N 270.376 3.824 30 20 CHED CC(C)c1cccc(/C=C2/CCn3ccnc3C2=O)c1 901534035 GPELLTWZLOLTKS-PTNGSMBKSA-N 266.344 3.677 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)CCC(F)(F)F)cc1 581615725 QVTVZWUMGPYCDC-CYBMUJFWSA-N 298.308 3.615 30 20 CHED C=CCOc1ccc(C(=O)NC[C@@H](C)C(C)(C)C)cc1 734336700 NWFQFLQJLWXHIJ-CYBMUJFWSA-N 275.392 3.663 30 20 CHED N#Cc1cc[nH]c(=N[C@@H](c2ccccc2)C2CCC2)c1Cl 587872991 RNNHYHYMESVWMX-INIZCTEOSA-N 297.789 3.982 30 20 CHED N#CCC[C@@H](C#N)CNCc1ccc(-c2ccco2)cc1F 580932382 OTZFQXXBZQYKKU-ZDUSSCGKSA-N 297.333 3.619 30 20 CHED C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1F 903335334 NZKUYMTXDDXWFM-KPZWWZAWSA-N 295.361 3.894 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCCCC[C@H]1c1ccco1 820641366 UKZVXZQZXAVSBI-CABCVRRESA-N 288.391 3.708 30 20 CHED C[C@H](Cc1cccs1)N[C@H]1CCc2ccc(C#N)cc21 581183526 FHCABIDUOPHWQB-PXAZEXFGSA-N 282.412 3.828 30 20 CHED C#CC(C)(C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 733883689 YSNBESVYNJXFPD-UHFFFAOYSA-N 294.398 3.544 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@@H](N2CCCC2=O)C1 582252801 SBXPHVOARAHLDC-GVDBMIGSSA-N 292.467 3.645 30 20 CHED C=CC(C)(C)COC(=O)c1ncccc1SCC 835720961 FLYYVVADYVSCQX-UHFFFAOYSA-N 265.378 3.563 30 20 CHED C#CCO[C@@H](C)c1nc([C@H](c2ccc(C)cc2)C(C)C)no1 834737120 IAHIYEQAWOSVKX-HOCLYGCPSA-N 298.386 3.877 30 20 CHED C=C(Br)CN1CCC[C@@H]1Cc1ccc(C)cc1 733614541 SEABQIGKIQFMLM-OAHLLOKOSA-N 294.236 3.911 30 20 CHED C[C@H](C#N)OCCN(C)[C@@H]1CCCC[C@H]1c1ccccc1 839652076 YZEJWRMTMBYBGQ-BPQIPLTHSA-N 286.419 3.573 30 20 CHED C=CCN(CCC#N)C(=O)c1cccc(C(C)(C)C)c1 581834288 KXUOZXKRXZNPBK-UHFFFAOYSA-N 270.376 3.526 30 20 CHED CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)C#N 903101839 NOMGYQGJZKZSCF-JTQLQIEISA-N 293.392 3.517 30 20 CHED CCc1ccc(COC(=O)CCc2ccc(C#N)cc2)cc1 735339414 LBNYLBWYACCORU-UHFFFAOYSA-N 293.366 3.797 30 20 CHED C=CC[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 839059644 QMLMHLIUWDWJMS-OIISXLGYSA-N 283.371 3.972 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cncs1 734744439 QLCDNGIHSLVUTQ-UHFFFAOYSA-N 274.374 3.589 30 20 CHED Cc1cc([C@H](NC(=O)C#CC(C)(C)C)C2CC2)ccc1F 837496450 AHWRUANBPNEBJQ-QGZVFWFLSA-N 287.378 3.751 30 20 CHED C=C(C)COc1cccc(NC(=O)NC(CC)CC)c1 589740992 OTZMEORTZDNORJ-UHFFFAOYSA-N 276.380 3.952 30 20 CHED C=CCC(CC=C)C(=O)N=[S@](C)(=O)c1cccc(F)c1 906344089 FKYHVEFUUZKPCJ-HXUWFJFHSA-N 295.379 3.577 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC[C@H]3C[C@@H]32)c1 672655265 GSXOOCKYUGOGEH-BBRMVZONSA-N 286.375 3.658 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(Cl)cnn2C)cc1C 588534832 QLWANUDCLANVPO-SREVYHEPSA-N 274.751 3.586 30 20 CHED C#CCC[C@@H](C)OC(=O)CCCc1sccc1C 839036672 GIGVRTWLCQOWSW-CYBMUJFWSA-N 264.390 3.724 30 20 CHED COc1cccc(/C(C)=C\C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 839054910 PFPFAELAUCAYFW-BYPLOIIRSA-N 299.370 3.724 30 20 CHED Cc1ccc(CNN=C2CCC3(CCCO3)CC2)cc1 835009569 ZCTYQIUZLXGSOD-UHFFFAOYSA-N 272.392 3.564 30 20 CHED Cc1ccc(C[C@@H](C)/N=C\c2ccccc2O)s1 737441190 YSJONOZMUVWOFH-FFCYNSPCSA-N 259.374 3.812 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C23CC4CC(CC(C4)C2)C3)C1 839060147 ZCKFGMDGELMYID-ZHGJIWRESA-N 287.403 3.828 30 20 CHED C=C(CNC(=O)c1cc(C)c(F)cc1F)c1ccccc1 672477965 DGBBIJLPRBKDFS-UHFFFAOYSA-N 287.309 3.716 30 20 CHED N#CCOC(=O)c1cc(-c2ccccc2)ccc1Cl 732405614 BVEMFJZPPFTYAF-UHFFFAOYSA-N 271.703 3.687 30 20 CHED CCCCCCCCCNC(=O)c1ccc(F)nc1 746117218 WFCPDYNHHOUDHE-UHFFFAOYSA-N 266.360 3.701 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(CN2CCCCC2)c1 837341051 REVZVBKDZVCZGB-UHFFFAOYSA-N 298.430 3.661 30 20 CHED CC(C)Nc1cccc(F)c1NC(=O)CC(C)(C)C#N 911927182 CQSHUXQSIRFNDM-UHFFFAOYSA-N 277.343 3.524 30 20 CHED CCCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(C)(C)C 593990310 CXZLFQGACVABBN-AWEZNQCLSA-N 286.419 3.774 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C23CC4CC(CC(C4)C2)C3)C1 839060141 ZCKFGMDGELMYID-CDJLDAARSA-N 287.403 3.828 30 20 CHED CC[C@@H](Oc1cccc(C)c1)C(=O)Oc1ccc(C#N)cc1 749308872 GJIZPDKMBBSAOE-QGZVFWFLSA-N 295.338 3.630 30 20 CHED CCCNN=Cc1cc(OC)c(OC)cc1-c1ccccc1 915965202 JRUGFLHZWVNRRS-UHFFFAOYSA-N 298.386 3.704 30 20 CHED CCCCCCCC(=O)N(C)c1snc(C)c1C#N 748227336 ZSOPMFFRLCACJO-UHFFFAOYSA-N 279.409 3.647 30 20 CHED COc1cc(C=NNc2cccc(C#N)c2)ccc1SC 746488458 HWSRSRDXIYIFMW-UHFFFAOYSA-N 297.383 3.735 30 20 CHED COC[C@@H](CC(C)(C)C)NCc1ccc(C#N)c(Cl)c1 593625132 SOSXHYPGCZTMSB-CQSZACIVSA-N 294.826 3.752 30 20 CHED CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1 590778419 AXRLWIQOPBDHAB-QZTJIDSGSA-N 277.371 3.681 30 20 CHED C=C(C)COC(=O)[C@H](C)c1ccccc1C(F)(F)F 744041022 YJYDVJBYGUPVBQ-SNVBAGLBSA-N 272.266 3.928 30 20 CHED Oc1cccc(/C=N/CCCc2ccc(Cl)cc2)c1O 749453058 QYJOXCIPMUUQBC-WOJGMQOQSA-N 289.762 3.803 30 20 CHED Cc1cc(C#N)ccc1CSCc1conc1C 596383903 YGWVKGJEXDOSOR-UHFFFAOYSA-N 258.346 3.597 30 20 CHED C=C(C)CNC(=S)N[C@H](CCC)CCc1ccccc1 741500053 WKIVWODBJJWIHH-MRXNPFEDSA-N 290.476 3.828 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H]2CO[C@H](C)C2)cc1 842927694 FQVNHZGXTNFBBG-VNHYZAJKSA-N 295.810 3.646 30 20 CHED Cc1c(Cl)cccc1NN=Cc1ccc(C(=O)O)cc1 915051172 NNHAMRXAPPTFOS-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC[C@@H](CCC(C)C)OC(=O)c1ncc(C#N)cc1C 847739618 GQMRYQTWCZTKHF-AWEZNQCLSA-N 274.364 3.633 30 20 CHED CC(C)c1cccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 597567481 CRFSVWBJLHQUDG-INIZCTEOSA-N 284.403 3.964 30 20 CHED CCc1ccc(CC(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 748677959 WLRFDHDHBDKIDC-CQSZACIVSA-N 293.366 3.968 30 20 CHED CCCCCC[C@@H](C)NC(=O)NCC#Cc1ccccc1 914600840 NEJOSJXDDPKPDF-MRXNPFEDSA-N 286.419 3.696 30 20 CHED Cc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)c(C#N)c1 592989091 QYLRZBMACDZPKG-GOSISDBHSA-N 293.366 3.839 30 20 CHED Cc1ccccc1C[C@@H](C)NC(=O)CC1(C#N)CCCCC1 596843758 IVYCDGNRLIKXLY-MRXNPFEDSA-N 298.430 3.906 30 20 CHED CC(C)CC1(CNC(=O)N2CCC[C@@H](CC#N)C2)CCC1 595556066 ATUJDTIVADAQOU-HNNXBMFYSA-N 291.439 3.538 30 20 CHED CC1(C)C[C@@H](C/N=C\c2cc3ccccc3nc2O)CCO1 840709569 JYOSCYZZVKYZSJ-QXGSTRBFSA-N 298.386 3.565 30 20 CHED CCOc1ccc(COC(=O)CCCCCC#N)c(C)c1 847118442 ORRPLACUYLHFJO-UHFFFAOYSA-N 289.375 3.911 30 20 CHED N#CC[C@@H]1CCCN(C/C=C/c2ccc(Cl)cc2)C1 595623473 QXVFVEDINJPIKR-KZTTYJGESA-N 274.795 3.979 30 20 CHED N#Cc1cnnc(N2CCC[C@H]2CCC2CCCCC2)c1 596166649 XFUWNGJWUZYKTC-INIZCTEOSA-N 284.407 3.678 30 20 CHED FC1(F)CCCC[C@H]1CON=Cc1cccs1 842015964 PSUPDEKKBSIPEE-JTQLQIEISA-N 259.321 3.924 30 20 CHED C=CCC1(NC(=O)CC2(C#N)CCCCC2)CCCC1 598295564 HSKQXQYHVHWXGP-UHFFFAOYSA-N 274.408 3.856 30 20 CHED C[C@@H]1CC[C@@H](C/N=C\c2c(O)ccc3ccccc23)O1 840710771 SAICPYMPXGJODV-OASCQKGGSA-N 269.344 3.532 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(OC)c2ccccc12 599900449 QOHMNVCTXMJUGO-UHFFFAOYSA-N 297.358 3.616 30 20 CHED N#Cc1cccc(N[C@@H](CCc2ccccc2)C(F)F)n1 599142368 WGPDKVVYIKBGKO-AWEZNQCLSA-N 287.313 3.632 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)[C@@H]1c1ccncc1 596593849 SUXLUIGXDRYWDH-QGZVFWFLSA-N 295.361 3.675 30 20 CHED N#Cc1ccc(CNC(C2CCCC2)C2CCCC2)nc1 846843811 HKTMBRTZAHZJDG-UHFFFAOYSA-N 283.419 3.792 30 20 CHED Cc1cnc(SCc2ccc(OCC#N)cc2)c(C)c1 849988578 AQNOLIRJOSCCPC-UHFFFAOYSA-N 284.384 3.893 30 20 CHED CCc1ccc([C@@H](NC(=O)[C@H](C#N)CC)C(C)C)cc1 593395512 XWWNYRBVYREPEC-HOCLYGCPSA-N 272.392 3.612 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1nc(C#N)ccc1C)CC2 596123722 ONYLLWFLOBMBEW-INIZCTEOSA-N 263.344 3.670 30 20 CHED C=CCCn1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)nn1 849242995 OQGCDALDABJNOM-ZHACJKMWSA-N 295.386 3.874 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1 747641953 HWNIOTQROUNOOQ-UHFFFAOYSA-N 289.260 3.812 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1cn(C)cn1)c1ccccc1 925579948 OVGZCNQAXCNKHP-GOEBONIOSA-N 269.392 3.778 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@H](CC(C)C)C1)c1ccccc1 757059890 YAGZBOSGBLYBLK-SJLPKXTDSA-N 298.430 3.829 30 20 CHED C(=NNCc1ccccc1)c1nc(-c2ccccc2)cs1 755564360 MGYKDEDZUJHWNG-UHFFFAOYSA-N 293.395 3.934 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1cc(C#N)ccc1F 753253078 USYSQHOWMFWDJH-UHFFFAOYSA-N 277.339 3.813 30 20 CHED CC(=NNC1CCCC1)c1cc(Cl)c(N)c(Cl)c1 754705064 LYYHKQORDASAFQ-UHFFFAOYSA-N 286.206 3.832 30 20 CHED COc1cccc(O)c1/C=N/C[C@H](C)c1ccc(F)cc1 920177710 JISCSKHOPIJSQC-MKFNJMOCSA-N 287.334 3.763 30 20 CHED C[C@@H](CCC(=O)OCCCCC#N)c1ccccc1 750097866 YXMNINKFIHUPTH-AWEZNQCLSA-N 259.349 3.807 30 20 CHED CC[C@H](C#N)OC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 753428978 FCNSZMDBTGPRDQ-JHJVBQTASA-N 251.370 3.684 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H]1CSc2ccccc21 926494529 HUYHLPGCHKDPIU-QWHCGFSZSA-N 274.433 3.794 30 20 CHED CCCCCCCCC(=O)OCc1cc(C)ncn1 753221496 GHIIIFGGJGRVEH-UHFFFAOYSA-N 264.369 3.579 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccsc1)c1ccccc1 757894949 MGNMGSXLBLWBMJ-CQSZACIVSA-N 270.357 3.634 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1c[nH]c2cc(F)ccc12 924877419 RMZZLDYFWVLOPO-LBPRGKRZSA-N 287.382 3.767 30 20 CHED C=CCN(Cc1c(O)ccc2ccccc12)[C@H](C)COC 853533013 SCPOVMZOQHPQPY-CQSZACIVSA-N 285.387 3.568 30 20 CHED Cc1ccsc1C=NNc1nc(C(F)(F)F)cs1 755902284 BXICKQHZHXTVQQ-UHFFFAOYSA-N 291.323 3.978 30 20 CHED O=C(OCC#Cc1ccc(C(F)(F)F)cc1)C1CC=CC1 750891452 RYRPJKOKRMRWET-UHFFFAOYSA-N 294.272 3.566 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CCc2ccc(F)cc21 860584056 CSXUFEFWTVVYCM-CQSZACIVSA-N 275.323 3.686 30 20 CHED C=CCN(C(=O)c1cc(F)cc2ccoc12)C(C)C 931924723 HFTLZRAEDFNGAH-UHFFFAOYSA-N 261.296 3.609 30 20 CHED C=C[C@H](CC)CC(=O)NCCCc1c[nH]c2ccccc12 932250868 FOZLHDJKTMIROV-CQSZACIVSA-N 284.403 3.819 30 20 CHED COc1cc(C#N)ccc1NC(=O)/C=C(/C)c1ccccc1 766642813 DLRWTMCBLRMTJI-RAXLEYEMSA-N 292.338 3.609 30 20 CHED C=CCCC(=O)COC(=O)[C@H](CC)CC1CCCC1 761408447 YGSHOXNNGOQGGN-CQSZACIVSA-N 266.381 3.671 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C=C)cc1 763248717 IIMGVIRZZILKFO-UHFFFAOYSA-N 293.341 3.744 30 20 CHED N#Cc1ccc(CNN=Cc2ccc3ccccc3c2)cc1 769823602 UYWCYJYRHDSWEI-UHFFFAOYSA-N 285.350 3.835 30 20 CHED CC#CCCOC(=O)c1ccccc1C(=O)c1cccs1 760282735 CFIMVLLTWXDMPC-UHFFFAOYSA-N 298.363 3.549 30 20 CHED C#CCN(Cc1csc(-c2ccccc2F)n1)C1CC1 763959280 CCSCJJVPGMFMRT-UHFFFAOYSA-N 286.375 3.547 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc(C(C)=O)cc2)C1 1350388143 VRGTWLRZDJPIBD-HNNXBMFYSA-N 257.377 3.677 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@@H](C)C2(CCC2)C1 935213189 VZPZPSUOAGFMND-CQSZACIVSA-N 282.387 3.519 30 20 CHED CCC(CC)NN=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 761267964 XVSOUOBUAPBVGD-GFCCVEGCSA-N 291.395 3.928 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1cnc2ccccc2n1 766015192 ZTLMSHHMFIZQBZ-LLVKDONJSA-N 268.364 3.854 30 20 CHED CCc1ccccc1NN=C1CCCc2scnc21 863079345 YZYYSSVIXBZAQA-UHFFFAOYSA-N 271.389 3.858 30 20 CHED CSc1ccc(/C=C\C(=O)O[C@H](C#N)C(C)C)s1 860519191 XJZMEQJJIMIEKI-VLWUPBBWSA-N 281.402 3.575 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C(=O)O)s2)ccc1C#N 766491411 OSRQEFCFILDNTD-HYXAFXHYSA-N 297.335 3.523 30 20 CHED C[C@@H](C=NO[C@H]1CCCCO1)c1cccc(Cl)c1 763370230 MQWWWKRGOWWNPB-FZMZJTMJSA-N 267.756 3.973 30 20 CHED Cc1ccnc(NN=Cc2cnc(C3CCC3)s2)c1 760260909 RLWHHBDILUNXMZ-UHFFFAOYSA-N 272.377 3.560 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cccc(Cl)c1F 860673699 GIITVPVQDRAJOS-UHFFFAOYSA-N 269.703 3.714 30 20 CHED CC(C)CN(CCC#N)Cc1c[nH]nc1-c1cccs1 768153292 CMYJEASWESVOIK-UHFFFAOYSA-N 288.420 3.510 30 20 CHED CCC[C@@H](OCC)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 860581920 PNBWWECNAZPQPB-DGCLKSJQSA-N 294.420 3.648 30 20 CHED Cc1cc(/C=C/C(=O)c2occc2C)ccc1C#N 766489570 FMKYUPWJLDOHLU-GQCTYLIASA-N 251.285 3.664 30 20 CHED FC(F)(F)CON=Cc1csc(Cl)c1Cl 761828193 KTRVZABGZYGQMN-UHFFFAOYSA-N 278.082 3.968 30 20 CHED CCc1ccc(N(CC)C[C@H](O)c2ccc(C#N)cc2)cc1 763514818 QQMCSCIVIKIMBB-IBGZPJMESA-N 294.398 3.681 30 20 CHED CC(=NNc1cnn(C)c1)c1ccc2c3c(cccc13)CC2 761882005 VFJAOTIYTQMGIZ-UHFFFAOYSA-N 290.370 3.508 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(O)c1F 872057997 LYKXTUQHCFNSTC-GFCCVEGCSA-N 296.345 3.743 30 20 CHED C=C(CC)CNc1ccc(OCC(=O)OC)c2ccccc12 773202914 GIURWQCQHIVXJK-UHFFFAOYSA-N 299.370 3.770 30 20 CHED C=CC[C@@H](C(=O)Oc1cccc([N+](=O)[O-])c1)c1ccccc1 777403396 CICVYHKRUMEFFT-MRXNPFEDSA-N 297.310 3.860 30 20 CHED C=CCN(C(=O)Nc1ncc(CCC)s1)C(C)C 776487783 MOJCMXSYWDESIK-UHFFFAOYSA-N 267.398 3.524 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)[C@H](O)c1cccc(F)c1 773038909 KODAXMRVGNSCDL-RCBQFDQVSA-N 265.372 3.582 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1cscn1 774133317 CPPXGOBSDYDOMX-RQOWECAXSA-N 294.719 3.601 30 20 CHED Cc1sc(NC(=O)C2(C)CC(F)(F)C2)c(C#N)c1C 875012567 WSPUBAXWIFJTAV-UHFFFAOYSA-N 284.331 3.611 30 20 CHED Cc1ccc2c(C=NNc3ccc4[nH]ncc4c3)c[nH]c2c1 779816406 JYDOJUMZEGIBFD-UHFFFAOYSA-N 289.342 3.799 30 20 CHED C[C@H](OC(=O)[C@@H](F)Cc1ccccc1)c1ccc(C#N)cc1 778024256 NJOWMKWYUKTMRB-GUYCJALGSA-N 297.329 3.743 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2C[C@]2(C)C(C)C)cc1 775824396 HAEYOERIFCWCGB-SJLPKXTDSA-N 284.403 3.924 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1c(C)[nH]c2ccccc12 770570573 HIUBWPBBDQLNCA-MDZDMXLPSA-N 293.370 3.668 30 20 CHED CC(C)OCCNN=C1C[C@H](c2ccccc2)C1(C)C 778549779 FFDUJMIIBXUHGE-OAHLLOKOSA-N 274.408 3.571 30 20 CHED CC(C)(C)CCC(=O)OCc1ccc(CC#N)cc1 776112187 DVLOQJPOCKDMCA-UHFFFAOYSA-N 259.349 3.622 30 20 CHED CC(C)(C)c1ncc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)s1 774593265 LZSXVFDJDHVBHL-GVXVVHGQSA-N 277.437 3.553 30 20 CHED N#CCCCSc1nc2cccc(F)c2s1 882344950 DVMKMJGPFGNKDM-UHFFFAOYSA-N 252.339 3.831 30 20 CHED CCCC[C@@](C)(F)C(=O)O[C@@H](C)CC#Cc1cccnc1 1123062774 VLYGYRUJUFPLFZ-WMLDXEAASA-N 291.366 3.673 30 20 CHED Cc1c(Cl)cccc1C(=O)OCCC(C)(C)C#N 787080971 OJXQZDJQXHTSIO-UHFFFAOYSA-N 265.740 3.745 30 20 CHED CCCCS[C@@H](C)C(=O)OCCCC(C)(C)C#N 785736887 AUXOKTUDEQIBQJ-LBPRGKRZSA-N 271.426 3.781 30 20 CHED CCCCC[C@H](C(=O)N1CCC(CC#N)CC1)C(C)C 782052803 HJRLRPSHSHEUFE-INIZCTEOSA-N 278.440 3.991 30 20 CHED C=C1CCC(C(=O)O[C@@H]2C[C@@H](C)C(=O)C(C)(C)C2)CC1 893129681 KNZKRBOVPVBGII-TZMCWYRMSA-N 278.392 3.670 30 20 CHED COc1cc(C=NN[C@@H]2CCCC2(C)C)ccc1SC 782299545 HWRPOYZOSVQSMA-OAHLLOKOSA-N 292.448 3.919 30 20 CHED C[C@@H]1Cc2cc(N[C@H]3CCC[C@@H](C#N)C3)ccc2O1 897114395 MCOKPKZXAPREEG-BZPMIXESSA-N 256.349 3.504 30 20 CHED C=Cc1ccc(C(=O)OCCCC(C)(C)C#N)cc1 785623779 AOHRZPYWLXSRSZ-UHFFFAOYSA-N 257.333 3.816 30 20 CHED Cn1cc(/C=C/C(=O)c2cccc(Cl)c2)c(C2CC2)n1 899336312 SAXKJVJSMWUZEK-BQYQJAHWSA-N 286.762 3.847 30 20 CHED C=C1CCN(C(=O)NCCC2CCC(F)(F)CC2)CC1 898575080 KOZKXJIRUKRVHL-UHFFFAOYSA-N 286.366 3.564 30 20 CHED C=C(C)CCc1noc(-c2cc(C(F)(F)F)ccn2)n1 896285926 UYUSPQVNFUGMHV-UHFFFAOYSA-N 283.253 3.659 30 20 CHED N#C[C@]1(C(=O)Nc2nsc3ccccc23)CC12CCCC2 892438189 WOFNVGQLXTZSKP-INIZCTEOSA-N 297.383 3.709 30 20 CHED C#Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1 895603501 BHLZCFMISQHACK-UHFFFAOYSA-N 289.378 3.688 30 20 CHED O=C(O)c1ccc(NN=Cc2sccc2Cl)cc1 782095695 ADJMWKQPGDOOGM-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](c1ccccc1)[C@H](C)CC 781126094 LUNDLJFYBTXPBV-YUELXQCFSA-N 259.349 3.662 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC(c2cc(C)cc(C)c2)CC1 891291266 HYKAFXLEINIPMG-LJQANCHMSA-N 298.430 3.949 30 20 CHED CNc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 784699425 VELDNPVPUUBFDN-GFCCVEGCSA-N 280.327 3.518 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn3cc(C)ccc3n2)c(O)c1 789142230 IUJVBVJEIPCEIF-FNORWQNLSA-N 292.338 3.553 30 20 CHED N#CC1(CCCC[S@@](=O)Cc2ccccc2F)CCC1 899382137 XBLRSBWYRSDKEI-HXUWFJFHSA-N 293.407 3.939 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](C)c1cc(C)sc1C 791013516 QYZXEJGRXSSOEX-DGCLKSJQSA-N 278.421 3.527 30 20 CHED CCC[C@@H](C)C(C#N)(C(=O)OCC)[C@H](C)CCC 95829968 MSYWRSGZXZMGFD-CHWSQXEVSA-N 253.386 3.932 30 20 CHED N#Cc1ccc(C(=O)OCC[C@H]2CCCc3ccccc32)o1 797087587 YTHIMGGLYPMTFF-CQSZACIVSA-N 295.338 3.818 30 20 CHED C[C@@H](C#N)OCCOc1cc(Cl)c(Cl)cc1Cl 393888167 WLOWBSBRSPAPDN-ZETCQYMHSA-N 294.565 3.954 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(OCC2CC2)cc1 796801932 MXXLCAVIHUXLLE-UHFFFAOYSA-N 274.360 3.983 30 20 CHED CN(CCCCC(C)(C)C#N)CCOCc1ccccc1 277761069 QGEOEHMDDZRGQS-UHFFFAOYSA-N 288.435 3.855 30 20 CHED COc1cc(F)ccc1NN=C(C)c1cc(C)c(C)o1 799886792 CIAUXCAKZJJICZ-UHFFFAOYSA-N 276.311 3.880 30 20 CHED CCCCCCCN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 703765786 PUHFBHXVSQFSJA-RBSFLKMASA-N 253.430 3.750 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc2n[nH]cc2c1 794861637 ADHBWVBEHDPFQP-UHFFFAOYSA-N 268.295 3.538 30 20 CHED CC(=NNc1cncnc1)c1ccc(SC(C)C)cc1 794974035 ZPTHMQFJRQLJEV-UHFFFAOYSA-N 286.404 3.813 30 20 CHED COC(=O)c1cc(NN=C(C)c2cccs2)ccc1C 793097311 GXCURZNFUWRVBJ-UHFFFAOYSA-N 288.372 3.679 30 20 CHED C#CCN(CC)Cc1nc(-c2ccc(C)cc2)cs1 795934784 ZITSTYRTKVOKPT-UHFFFAOYSA-N 270.401 3.574 30 20 CHED COc1ccc(NC(=O)Nc2ccc(C)cc2)cc1C#N 1202432135 XSLJNZQVWNVWCN-UHFFFAOYSA-N 281.315 3.519 30 20 CHED C[C@H](NC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1202509704 NVFNNHLTUWGNON-ZDUSSCGKSA-N 279.343 3.635 30 20 CHED CC[C@@H](C)CON=Cc1cnc(C2CCC2)s1 793164034 QKTGAHWHCGQRCC-SNVBAGLBSA-N 252.383 3.807 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cs1 194328918 HMKCAVLVBONEOD-UHFFFAOYSA-N 276.792 3.905 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1coc(C(C)C)n1 799479686 CAWAMXVDBRKNSE-UHFFFAOYSA-N 294.358 3.604 30 20 CHED CCc1ccccc1NN=C(C)c1ccc2n[nH]cc2c1 794896432 KUYKSJKJRJFPDF-UHFFFAOYSA-N 278.359 3.961 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)CCC1CCCC1 796455214 MNEZXPOJGJDHLT-UHFFFAOYSA-N 266.381 3.671 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1ncccc1F 794984033 JMQCVIAKLHDIDZ-UHFFFAOYSA-N 271.339 3.950 30 20 CHED CC[C@H](C)CON=Cc1ccc(OC)c(OC)c1Cl 793164788 YXKXTCRJPTWEON-JTQLQIEISA-N 285.771 3.754 30 20 CHED Cc1cccnc1NN=C1CCOc2ccc(Cl)cc21 790189577 AYAYICSDANQMTF-UHFFFAOYSA-N 287.750 3.642 30 20 CHED CCCCc1ccc(NC(=O)C=NOCCCCF)cc1 795197818 UPWUXFNFNSRWBK-UHFFFAOYSA-N 294.370 3.720 30 20 CHED COc1cccc(/C=C2/CCc3c(OC)cccc3C2=O)c1 799501995 CCYMGVOKECBQSB-KAMYIIQDSA-N 294.350 3.916 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@@H](CC(C)C)c1ccccc1 791741701 QTMUWODIVPESEN-IRXDYDNUSA-N 271.404 3.734 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](C)[C@@H]1CO 785780163 XYQOLOUJACTYFW-HOTGVXAUSA-N 283.456 3.747 30 20 CHED Cc1ccc(C#N)c(NCc2ccc(-c3cnco3)cc2)n1 1307226093 ZPAMPTYAJSZJIC-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=CC1CCN(C(=O)C(F)(F)c2ccc(Cl)cc2)CC1 1318368977 KPKXCFLVVUOMQS-UHFFFAOYSA-N 299.748 3.856 30 20 CHED COc1cccc(O)c1/C=N/Cc1cccc(Cl)c1F 1322126086 WNDALBSTVDHQTO-GIJQJNRQSA-N 293.725 3.812 30 20 CHED CCc1ccccc1NC(=O)Nc1ccc(OCC#N)cc1 1328225391 BWYJWINNWAQGJD-UHFFFAOYSA-N 295.342 3.795 30 20 CHED COc1cc(/C=C/C(=O)c2cc(C)c(C)o2)ccc1F 1321360052 ZDVHOQDTLXLHQA-FNORWQNLSA-N 274.291 3.940 30 20 CHED C=C[C@H](Cc1nnc([C@H]2CCCCO2)o1)c1ccccc1 1326119560 PFLVNLAJKSEZSR-UKRRQHHQSA-N 284.359 3.824 30 20 CHED Cc1cc(F)ccc1CN1CCc2c(C#N)cccc21 1646300232 USRASJPNPZSZDH-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C[C@@H](OC(=O)CC1(C#N)CCCCC1)C(=O)c1ccccc1 1327237937 QCJGVDZTHSILHT-CQSZACIVSA-N 299.370 3.665 30 20 CHED CC[C@H](CC(F)F)CN1CCc2c(C#N)cccc21 1659079981 BIABOPBCOWBLBQ-LLVKDONJSA-N 264.319 3.602 30 20 CHED C=CCCCc1nnc(-c2ccc(OCC)c(OC)c2)o1 1326961022 CTWTVARYVJHTHW-UHFFFAOYSA-N 288.347 3.653 30 20 CHED COc1ccncc1CSCc1ccc(C#N)cc1F 1323377038 KNHRZWVICUSHRC-UHFFFAOYSA-N 288.347 3.534 30 20 CHED CC(=NNc1ccc(C#N)cn1)c1sc(C(C)C)nc1C 1337008128 SVDCIRBRVDZQBS-UHFFFAOYSA-N 299.403 3.678 30 20 CHED Cc1nc(N(C)[C@H]2CCC[C@H]2C(C)(C)C)ccc1C#N 1186747541 JOCCRJSSXIBWMH-CABCVRRESA-N 271.408 3.913 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(C)cc1OCCOC 1334885138 XWMSNXYFDGAKBL-AWEZNQCLSA-N 291.391 3.561 30 20 CHED C=CC1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 804445859 RLAOANDPLOSFDA-UHFFFAOYSA-N 266.728 3.651 30 20 CHED C=C(CC(C)C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 1346580245 MVSMVNDLCZXPQS-IRXDYDNUSA-N 287.403 3.625 30 20 CHED C=C(CC(C)C)C(=O)Nc1cnn(C)c1-c1ccccc1 1348629693 KAZKORWCNBMSNF-UHFFFAOYSA-N 283.375 3.628 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cc(C#N)ccc1F 1275425399 HZRPFUAYTJTCAC-SNVBAGLBSA-N 262.328 3.708 30 20 CHED CCC(C#N)(CC)C(=O)N(C)C1C2CC3CC(C2)CC1C3 1358115022 JLKPNYRYVJVFMG-UHFFFAOYSA-N 288.435 3.599 30 20 CHED N#CC[C@H](C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccccc1 1353523830 WCRDVTNWLLQWJT-OWLYRPNTSA-N 296.414 3.769 30 20 CHED C[C@@H](CCCC(F)(F)F)OC(=O)c1csc(C#N)c1 1516818681 CXSKJZVNFYZOFF-QMMMGPOBSA-N 291.294 3.898 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)c2cccc(C#N)n2)CC(C)(C)C1 1459704971 BVNDNEHFKZVBKS-ZIAGYGMSSA-N 299.418 3.536 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@H](C(C)(C)C)C1 1524146232 SNHLTZSXWBTBNB-HNNXBMFYSA-N 284.403 3.765 30 20 CHED C[C@@H](NC(=O)OCC1CCCCC1)c1ccc(C#N)cc1 1462929750 VYGUESDQNDQSAC-CYBMUJFWSA-N 286.375 3.926 30 20 CHED N#Cc1cn(Cc2ccccc2Cl)c(=O)c2ccccc12 1473062560 WMDCYUWWXCZMQA-UHFFFAOYSA-N 294.741 3.575 30 20 CHED Cc1ccc2[nH]cc(CCNc3nccc(C)c3C#N)c2c1 1613063252 OBMQDHPPWTXWEB-UHFFFAOYSA-N 290.370 3.706 30 20 CHED CC(C)[C@H]1N(Cc2cccc(F)c2C#N)CC1(C)C 1474551270 WZFGGYPKIDMWRR-OAHLLOKOSA-N 260.356 3.564 30 20 CHED Cc1cc(C#N)ccc1CSc1nc2c(C)ccnc2[nH]1 1613741690 ANSRFVZLRMQYOG-UHFFFAOYSA-N 294.383 3.739 30 20 CHED CSc1ccccc1C(=O)Nc1cccc(C#N)c1 3603807 BTBSEPZZDIQJQD-UHFFFAOYSA-N 268.341 3.532 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2ccc(Cl)c(C#N)n2)C1 1559214138 SIBIKGJYADYJEM-NSHDSACASA-N 277.799 3.869 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1559087317 IBBWTRNMZYTDGZ-JSRQGNBESA-N 277.371 3.667 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(O)c(F)c1 1621404356 GVOJTQHOGVEYKK-GFCCVEGCSA-N 284.334 3.596 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)c1snc(Cl)c1C#N 1559125877 PFPQWTCRMICGLX-QMMMGPOBSA-N 293.779 3.571 30 20 CHED CC(C)(CCCc1ccccc1)CNc1cc(C#N)cnn1 1639485719 MHAHXJVMTPCXDF-UHFFFAOYSA-N 294.402 3.809 30 20 CHED CC(C)C[C@H]1CCCN(CCOc2ccccc2C#N)C1 1644937131 QUJOZTJPNGBVPN-MRXNPFEDSA-N 286.419 3.695 30 20 CHED C=C(Cl)CN1CCC[C@@H]1c1ccc(F)cc1F 1658992953 DJDKRQVDAJDLMR-CYBMUJFWSA-N 257.711 3.854 30 20 CHED Cc1ccnc(NC2(Cc3ccc(F)cc3)CC2)c1C#N 1655475877 YPAFFFUXZVNLRV-UHFFFAOYSA-N 281.334 3.588 30 20 CHED N#Cc1ccc(CCNc2nc3ccccc3s2)cc1 1655666872 MOGQCAYBQCGMNT-UHFFFAOYSA-N 279.368 3.823 30 20 CHED C=CC[C@@H](C(=O)Oc1cccc(C(=O)O)c1)c1ccccc1 1588731576 KPRKYQBHQKIALM-MRXNPFEDSA-N 296.322 3.650 30 20 CHED N#CC1(CCN2CCCC[C@@H]2CCC(=O)O)CCCCC1 1594603634 HURDLJOWVCAKSD-OAHLLOKOSA-N 292.423 3.570 30 20 CHED N#Cc1ccc(/C=C/c2nc3c(C(=O)O)cccc3o2)s1 1777566522 XAPWUBGHKFAQAW-VOTSOKGWSA-N 296.307 3.630 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2csc(Cl)c2)C1 1776155871 LKOLWSOKELQSEV-CQSZACIVSA-N 299.823 3.644 30 20 CHED C=CCNC(=S)N[C@H]1CCSc2ccc(Cl)cc21 16703929 JHDBCZVMJWQYBV-NSHDSACASA-N 298.864 3.527 30 20 CHED C=C(C)CNC(=O)c1ccc(COc2ccc(C)cc2C)o1 161235139 FUKCKNHDTMRLDH-UHFFFAOYSA-N 299.370 3.781 30 20 CHED N#Cc1cc(NCc2cc3ccccc3[nH]2)ccc1[N+](=O)[O-] 166139443 YEKRXLIXQAEZHE-UHFFFAOYSA-N 292.298 3.560 30 20 CHED N#Cc1csc(CNc2cc(F)ccc2OC(F)F)c1 152359623 AKSKVZHQWXQHBF-UHFFFAOYSA-N 298.289 3.972 30 20 CHED C=C(C)CN(CC)[C@@H](C)c1nc(Cc2ccccc2)no1 152520687 BTUKEZUKDWEKGW-AWEZNQCLSA-N 285.391 3.619 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc(C#N)c1 153290287 HNQCLOOKNBQNHG-UHFFFAOYSA-N 271.364 3.768 30 20 CHED Clc1cccc(C#CCN2CCC[C@@H]2c2ccc[nH]2)c1 157691327 NKIKBSXETCROKS-QGZVFWFLSA-N 284.790 3.857 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1 155975081 NLVWCOZNCZFKDC-BBRMVZONSA-N 270.376 3.599 30 20 CHED C=CCCOC(=O)c1ccccc1C(=O)c1ccccc1 156797079 YAYJICIRCCGHDE-UHFFFAOYSA-N 280.323 3.651 30 20 CHED COc1ccc(C#N)cc1COc1cc(C)ccc1F 129283476 NLFWZHIYRIXVSA-UHFFFAOYSA-N 271.291 3.593 30 20 CHED N#CCCCc1nc(Cc2ccc(Cl)c(Cl)c2)no1 236049230 FEPPPUDDGCTGFH-UHFFFAOYSA-N 296.157 3.813 30 20 CHED CCOc1cc(NCc2ccc(C#N)s2)ccc1OC 135684684 BHIVRJJWZJCBMU-UHFFFAOYSA-N 288.372 3.639 30 20 CHED COc1ccc(Cl)cc1NCc1ccc(C#N)cc1F 20048785 UGPMHTWSTZXRMT-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 35018858 FVZXJKVWDBNPCA-AWEZNQCLSA-N 264.372 3.971 30 20 CHED CC(C)CN(CCC#N)Cc1cc([N+](=O)[O-])ccc1Cl 43416397 YMONQQPCOSZKDO-UHFFFAOYSA-N 295.770 3.620 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC1(C)CCOCC1 657925118 BDSYFWAHEJLABN-CABCVRRESA-N 251.414 3.528 30 20 CHED C=C(CC)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 550081861 IOFZVXABUXGLLG-OAHLLOKOSA-N 265.784 3.680 30 20 CHED Cc1nc(NC2CC(C(F)(F)F)C2)c(Cl)cc1C#N 359965630 CTJWYIXEVKLZHU-UHFFFAOYSA-N 289.688 3.668 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC(C2CCCCC2)CC1 708841690 PPAQVZYQBHIJQW-KRWDZBQOSA-N 276.424 3.745 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](F)C(C)C 791866512 SNNXRWCPGWMVJL-HNNXBMFYSA-N 263.356 3.585 30 20 CHED CC(C)c1nc(CSCc2ccc(C#N)cc2F)no1 108418267 ACHAZKWOEIOYRE-UHFFFAOYSA-N 291.351 3.637 30 20 CHED C=C(C)COC(=O)c1ccccc1OCc1ccccc1 58793076 DESODPZMBMUAOZ-UHFFFAOYSA-N 282.339 3.999 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1OC(F)(F)F 179883434 JRLAZALFMHETBZ-UHFFFAOYSA-N 287.281 3.623 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(F)c1Cl 173424686 KTZMSYBZCRLIMR-UHFFFAOYSA-N 255.720 3.517 30 20 CHED CC(C)(CCC#N)CNC1CCN(CC2CCCC2)CC1 174323128 LUMHVQUILOYOED-UHFFFAOYSA-N 291.483 3.561 30 20 CHED CCC(=CC(=O)[C@@H](C#N)c1nc2ccccc2o1)CC 177731835 FLHNBLKEMKXOQI-GFCCVEGCSA-N 268.316 3.750 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(C)c1 55891287 TYDFGABVQVPYFI-UHFFFAOYSA-N 295.382 3.832 30 20 CHED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1cccc(O)c1 102713964 KBCHLGOFWNBBMF-SNAWJCMRSA-N 278.229 3.706 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 116972757 IVDDWRZOEBEBHF-DZKIICNBSA-N 272.392 3.539 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C1CCC1 102954189 BIDCXGATYRGKLC-INIZCTEOSA-N 283.375 3.663 30 20 CHED Cc1cccc(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 113177501 WCEZGFMLRHHCEY-MRXNPFEDSA-N 298.773 3.572 30 20 CHED N#Cc1nc(Oc2ccc3ncccc3c2)ccc1Cl 301550725 VIWOONWLKJGFIN-UHFFFAOYSA-N 281.702 3.947 30 20 CHED Cc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c(F)c1 1349145413 QMXQUIBPIZHHTP-CYBMUJFWSA-N 296.345 3.823 30 20 CHED C[C@H]1CCCCN1C[C@@H]1CCCN(c2ccc(C#N)cc2)C1 113924980 PBMHEQABRKHGTQ-WMZOPIPTSA-N 297.446 3.649 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCc1ccco1 69913960 FTJDLEJLXDHVQH-UHFFFAOYSA-N 276.380 3.558 30 20 CHED N#Cc1cccnc1Nc1ccc(Nc2ccccc2)nc1 301547211 PTPLOOPHAMKHLM-UHFFFAOYSA-N 287.326 3.835 30 20 CHED C=C[C@@H](C)NC1CCN(Cc2c(F)cccc2Cl)CC1 119368875 NAFUPIJULVGMKF-GFCCVEGCSA-N 296.817 3.608 30 20 CHED C=CC[C@H](C)NCc1ccc(OC)c(OCC(=C)C)c1 116927544 DRCXWHHTRZWMAN-AWEZNQCLSA-N 275.392 3.704 30 20 CHED C[C@@H](CNc1ccc(Cl)c(C#N)n1)Cc1cccs1 301409945 JPJUIPZGPZVIBR-SNVBAGLBSA-N 291.807 3.959 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccsc2)cc1 171541837 YFVHLFJSXRAODQ-RPTYSRGTSA-N 283.352 3.935 30 20 CHED C[C@H](CCNCc1cc(C#N)ccc1F)c1ccccc1 61910631 BJFZYLHSHYVXNB-CQSZACIVSA-N 282.362 3.981 30 20 CHED CCc1ccc([C@@H](C)CC(=O)NCCCCC#N)cc1 172411913 UBALQYFNGOXVIV-AWEZNQCLSA-N 272.392 3.553 30 20 CHED Cc1ccc2c(c1)CCN2c1ccc(Cl)c(C#N)n1 301950985 FJYOFMWVFJTCRK-UHFFFAOYSA-N 269.735 3.609 30 20 CHED C=C(C)CN(C)c1cc(C#N)ccc1C(F)(F)F 302481983 YEHWPOBYNWZNBM-UHFFFAOYSA-N 254.255 3.589 30 20 CHED C=C[C@@H](CC(=O)Nc1ccccc1)c1ccccc1 121510649 GBEXPLRKFNRBCT-AWEZNQCLSA-N 251.329 3.985 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 128449207 GVRPLUBBXNLNIZ-ABAIWWIYSA-N 276.355 3.541 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@@H]1CCCC 180965650 GPTOCFZXBPOYAC-KBPBESRZSA-N 252.402 3.563 30 20 CHED CC1(C)CCCN(Cc2cc(F)ccc2C#N)CC1 229959604 JWAQEFOYAHMMAU-UHFFFAOYSA-N 260.356 3.709 30 20 CHED COc1ccc(NCc2ccc(C#N)cc2)cc1OC(C)C 186280856 NHWIHPSFGYMMRC-UHFFFAOYSA-N 296.370 3.966 30 20 CHED O=C(/C=C\c1ccc(O)cc1)c1cccc(OC(F)F)c1 211168154 XTVSBUDHLHBWNR-TWGQIWQCSA-N 290.265 3.890 30 20 CHED CC1(C)Cc2cccc(/C=C/C(=O)c3ccncc3)c2O1 182240190 NHZBKGAGKCIJRD-VOTSOKGWSA-N 279.339 3.691 30 20 CHED N#Cc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)ccc1F 122098137 AQQKFPBBQZURSR-JKSUJKDBSA-N 290.407 3.557 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C#N)s1 127583502 PTGAWILURXORFS-ZFWWWQNUSA-N 282.412 3.998 30 20 CHED COc1cc(C#N)ccc1COc1cccc(C)c1C 500869695 TYDPIBPHWSWPAU-UHFFFAOYSA-N 267.328 3.763 30 20 CHED C=CCOCCCC(=O)Nc1ccc(O[C@@H](C)CC)cc1 79724646 NDUKZRCOEOBONM-AWEZNQCLSA-N 291.391 3.785 30 20 CHED C=CCC[C@H](NC[C@H](C)CCOC)c1ccco1 414201256 MBXUGCGLEOWMAN-KGLIPLIRSA-N 251.370 3.549 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 185142635 RHZWAXNKDNNVJY-AWEZNQCLSA-N 287.403 3.701 30 20 CHED Cc1ccc2c(c1C)N(C(=O)c1ccc(C#N)cc1)CCC2 411078965 DXEKAXMDYFKOJO-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC[C@@H]2CCCO2)cc1 120552558 XVGNPEQGICIZRZ-SFHVURJKSA-N 289.419 3.642 30 20 CHED CCCOCc1ccccc1CNc1nc(C)ccc1C#N 127784568 VWHMJYNDADSDMV-UHFFFAOYSA-N 295.386 3.800 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(F)cc1Br 235506308 VRPAQTMVKQXWPW-VIFPVBQESA-N 299.187 3.789 30 20 CHED CC(C)OCc1ccccc1CNCc1cccc(C#N)c1 78357845 UXYXCBAJJUXBBF-UHFFFAOYSA-N 294.398 3.773 30 20 CHED C=CCN(C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 121505104 LBAUBZSPVSWJSD-JTQLQIEISA-N 277.755 3.569 30 20 CHED C[C@@H]1CN([C@H](C)CCC#N)CC[C@H]1c1ccccc1 411308266 ICRHIGMWIHHLGB-BFYDXBDKSA-N 256.393 3.804 30 20 CHED N#CC1(CCN(Cc2cccnc2)C2CC2)CCCCC1 411420448 QMUZLNICNMYSGT-UHFFFAOYSA-N 283.419 3.910 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccc2c(c1)CCCC2 411436325 HBVXGYJYNILINX-KGLIPLIRSA-N 256.393 3.908 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1c(C)cccc1C 74722925 IKOVWIUHIFESMJ-UHFFFAOYSA-N 294.354 3.826 30 20 CHED C#CCCCCN[C@@H](C)c1csc(C(C)C)n1 186419373 NQTFFEKXPYHLBM-LBPRGKRZSA-N 250.411 3.721 30 20 CHED C[C@@H]1SCCN(CCC2(C#N)CCCCC2)[C@H]1C 411282112 WYFDXTHQQXTBKP-KBPBESRZSA-N 266.454 3.676 30 20 CHED CCC[C@@H](NC(=O)C1(C#N)CCCC1)C1CCCC1 411120052 CMPFZCHRTRGSCQ-CQSZACIVSA-N 262.397 3.545 30 20 CHED Cc1cnc(N=C(O)N2CC(C)(C)[C@H]2c2cccs2)o1 329347883 DKNPUBLHLADXNY-LLVKDONJSA-N 291.376 3.673 30 20 CHED CC(C)c1ccc(CCC(=O)N(CCC#N)CC2CC2)cc1 505164638 QDBGSXVNHUXWKY-UHFFFAOYSA-N 298.430 3.895 30 20 CHED CCCCCC(=O)Nc1ccc(C#N)cc1Cl 225781160 OVYZJPOBCSIXDQ-UHFFFAOYSA-N 250.729 3.730 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 84084632 SWWVFHGVESPYJK-CQSZACIVSA-N 288.416 3.805 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)C1CCOCC1 225362716 LXYGHQNMTYRFSR-JTQLQIEISA-N 298.308 3.804 30 20 CHED C#CCCCC(=O)O[C@H](C)c1ccc(OC(F)F)cc1 192317126 COIPHXKHUINOQB-LLVKDONJSA-N 282.286 3.696 30 20 CHED C=CCOc1ccccc1CNC(=O)C1(CC=C)CCC1 191574654 MJAWTXGFANASRG-UHFFFAOYSA-N 285.387 3.614 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 194768120 GTHAAFLBZDXWOS-JKSUJKDBSA-N 273.351 3.566 30 20 CHED CC[C@H](C#N)OC(=O)CCc1ccc2ccccc2c1 84697250 RGEVZIBWUJARGA-MRXNPFEDSA-N 267.328 3.618 30 20 CHED O=C1/C(=C/c2cccs2)Cc2c(F)cc(F)cc21 131169343 KHDIDPJMBIKKCY-XBXARRHUSA-N 262.280 3.849 30 20 CHED CC1(C/N=C(/O)C[C@@H]2CCCC(O)=N2)CCCCC1 329668456 RYUNKBYEBASZBQ-LBPRGKRZSA-N 266.385 3.812 30 20 CHED CC[C@@H](CC(=O)N(CCC#N)C(C)C)c1ccccc1 517769425 QMQGTSBFNGKXLA-HNNXBMFYSA-N 272.392 3.721 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)[C@@H]2CCCOCC2)c1C 329933530 BNHCSNHYDVYXNQ-DGCLKSJQSA-N 279.384 3.567 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2ccc3ccn(C)c3c2)CCC1=O 328953538 YBAAPALYIPVVJC-WCQYABFASA-N 284.359 3.772 30 20 CHED CCCCCCCCCOC(=O)c1cnc(C)cn1 43352610 WQVNTTKLEZOGPI-UHFFFAOYSA-N 264.369 3.692 30 20 CHED C=CCCCCCSc1nnc(-c2ccncc2)n1C 195415704 BVEPECPOKDENHQ-UHFFFAOYSA-N 288.420 3.716 30 20 CHED C#CC[C@H](C)OC(=O)c1csc(-c2ccc(F)cc2)n1 83787048 FKNZVJAIZRIFJH-JTQLQIEISA-N 289.331 3.518 30 20 CHED N#Cc1c(NCC2(C(F)(F)F)CCC2)ncc2c1CCC2 425254339 NCCFSMWZGMXPJO-UHFFFAOYSA-N 295.308 3.586 30 20 CHED CC(C)(C)CCCCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 80919493 FFAYKJCHUXENCR-DLBZAZTESA-N 298.430 3.994 30 20 CHED C=CCN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 425540394 VDGKHPVSRYNNAB-NSHDSACASA-N 268.282 3.605 30 20 CHED C=CCN(C)Cc1ccc(-c2c(F)cccc2F)o1 428377160 RLSANGJMAHHHHL-UHFFFAOYSA-N 263.287 3.843 30 20 CHED CC[C@H](N[C@@H](C)c1ccncc1F)c1ccc(C#N)cc1 338018962 NSQAJZMFUSNLJR-SJCJKPOMSA-N 283.350 3.894 30 20 CHED C#CCCCC(=O)Nc1cc(C(C)C)c(O)cc1C 192184787 WNAWHZRFGNNPSK-UHFFFAOYSA-N 259.349 3.566 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1csc2c1CCCC2 428038968 POYOTWXTUMMHID-LBPRGKRZSA-N 275.417 3.808 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)c2cccc(C#N)c2C)s1 337871615 RNOMTSCLAOBQDZ-LLVKDONJSA-N 298.411 3.598 30 20 CHED CC(C)OCCCSCCCOc1cccc(C#N)c1 190978595 ANWTWVKIXDHNGU-UHFFFAOYSA-N 293.432 3.875 30 20 CHED C=CCC1(C(=O)Nc2cnc(O)c(C)c2)CCCCC1 516538830 TWGCMTFONFQSNK-UHFFFAOYSA-N 274.364 3.561 30 20 CHED C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 97036286 BRNASAJVNQGTLY-NSHDSACASA-N 283.306 3.580 30 20 CHED CC[C@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 91919482 HTFUUAJBCJJUEK-INIZCTEOSA-N 285.435 3.658 30 20 CHED CCN(C(=O)[C@@]12CCC[C@H]1C2)c1ccc(C#N)c(Cl)c1 335071342 CCXMBIWJISRMDU-BLLLJJGKSA-N 288.778 3.755 30 20 CHED CC[C@H](CNc1cccnc1C#N)Oc1cccc(C)c1 517208366 HYAYJSNNYPBLOK-CQSZACIVSA-N 281.359 3.531 30 20 CHED Cc1c(C(=O)N(C)C[C@@H](C)C#N)sc2cc(F)ccc12 335165493 PDUVQYMTPLPULR-VIFPVBQESA-N 290.363 3.581 30 20 CHED CO[C@@H]1CC[C@@H](/N=C(/O)c2cc(C(C)C)oc2C)C1 330615403 CJMRIOTZLZBOOH-VXGBXAGGSA-N 265.353 3.584 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(OC)c(C#N)c1 92224284 RRPRKHGVWJOZGS-KRWDZBQOSA-N 295.386 3.545 30 20 CHED CC[C@H](C)[C@H](C)/N=C(/O)Nc1cnn([C@H](C)CC)c1C 331101569 DCYPKHIPMXAXRR-TUAOUCFPSA-N 280.416 3.923 30 20 CHED CCCCn1ncc(N=C(O)N(C)CC(C)(C)C)c1C 331305934 DWLNIOVKRZVVMJ-UHFFFAOYSA-N 280.416 3.515 30 20 CHED CC(C)(C#N)CCCCOc1ccc(C=O)cc1[N+](=O)[O-] 232519963 AIOQFFRMNNGHSZ-UHFFFAOYSA-N 290.319 3.506 30 20 CHED CC(C)(CC#N)CNC(=O)N1C[C@H]2CC[C@H]1c1ccccc12 335590481 QYBDICUZUZDREX-CJNGLKHVSA-N 297.402 3.570 30 20 CHED C=CCC1(C(=O)N2CCc3cc(F)cc(C)c3C2)CCC1 337325784 OEIHMRHKVPJHSW-UHFFFAOYSA-N 287.378 3.765 30 20 CHED CCC(CC)c1cc(C/N=C(/O)N2CCC[C@@H]2CC)on1 330975831 JTYAQCILCDYSIH-ZDUSSCGKSA-N 293.411 3.867 30 20 CHED C=CCn1cccc1-c1nc([C@@H]2C[C@@H]2c2ccccc2)no1 347215222 LCXCUCVRAYQQBD-HUUCEWRRSA-N 291.354 3.995 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCC[C@@H](OC)C2)n1 340771938 IYGPEOARMCWSQF-NWDGAFQWSA-N 264.369 3.596 30 20 CHED C=CC1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1 521957637 ONWHQTLZHXFPGS-UHFFFAOYSA-N 287.403 3.613 30 20 CHED C=CC[C@@H]1N(Cc2cncc(OC)c2)CCCC1(C)C 343747028 RAXKXRCQXZPAHE-INIZCTEOSA-N 274.408 3.657 30 20 CHED CC(C)[C@H](NCC(C)(C)CCC#N)c1ccc(F)cn1 348216049 NNXHNEIMOXPGNU-HNNXBMFYSA-N 277.387 3.837 30 20 CHED CCC(C#N)(CC)C(=O)N1CC(C)(C)CC(C)(C)C1 529047673 YPTFZXWLIACBBE-UHFFFAOYSA-N 264.413 3.601 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 248404085 ZQVJZAHMLJSIOU-FGTMMUONSA-N 292.382 3.752 30 20 CHED N#Cc1cccc(COc2ccc3c(c2F)CCC3=O)c1F 344584779 OMCUZYHHILRRMU-UHFFFAOYSA-N 299.276 3.544 30 20 CHED CC(F)(F)c1ccc(CNc2cc(C#N)ccn2)cc1 432141104 YMZLOXXZKWQOPW-UHFFFAOYSA-N 273.286 3.677 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H]1CCCCC1(C)C 437476887 PECLZSXGLRPHLO-INMHGKMJSA-N 293.451 3.690 30 20 CHED Cc1ccc(C[C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c(C)c1 248830183 MKMUXPWZKOTWGJ-JZXOWHBKSA-N 270.420 3.906 30 20 CHED CCc1cccc(Oc2ccc(NC(=O)[C@@H](C)C#N)cn2)c1 524069622 IRUNVJSOJAYEAJ-LBPRGKRZSA-N 295.342 3.534 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 609345671 JMHZRGWRUKLRHA-OLMNPRSZSA-N 292.382 3.752 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@]1(C)CC 343668243 HSLWNKKUINUZID-CXAGYDPISA-N 285.391 3.755 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](C)CCCOC)CCCC1(C)C 347441887 LTXWDHLMQXOCBZ-LSDHHAIUSA-N 281.440 3.642 30 20 CHED C[C@H](CCC#N)CNCCCO[C@H](C)c1ccccc1 602509016 AMDABMSTYRDYIY-HZPDHXFCSA-N 274.408 3.684 30 20 CHED N#CCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 340049294 YTQLUNZRQWDUFH-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=CCCCSCc1nc(CCC(C)C)no1 609803994 SOTSXNVOBYKECB-UHFFFAOYSA-N 254.399 3.858 30 20 CHED CSCc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 431859341 NBEYPBPCHMIZOY-UHFFFAOYSA-N 296.395 3.982 30 20 CHED C=CCCCSc1nnc(-c2ccc(F)cc2)o1 605075671 AKCSDSNEMJEFGL-UHFFFAOYSA-N 264.325 3.934 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1cc2c(Cl)cccc2s1 609522340 XYZABIJIYDZMAR-NSHDSACASA-N 292.791 3.833 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2ccccc2[C@@H]1C 432555955 INRZWEUXNJVKKH-AWEZNQCLSA-N 286.419 3.918 30 20 CHED CCN(C(=O)/C=C\c1ccccc1C#N)C1CCCCC1 255686704 KAZOPKNOFIYQJI-SEYXRHQNSA-N 282.387 3.753 30 20 CHED C=CC1CCN(C(=O)c2ccc(C(C)C)nc2CC)CC1 340159004 AFIOXTBMEOYMAW-UHFFFAOYSA-N 286.419 3.806 30 20 CHED C=CCCCSCc1csc(-c2ncccn2)n1 344555323 IWWSSDISNYDRFW-UHFFFAOYSA-N 277.418 3.800 30 20 CHED CC(F)(F)CCNCc1cccc(OCCCC#N)c1 449354674 QHPVMLVRVDFIBN-UHFFFAOYSA-N 282.334 3.504 30 20 CHED C=CCN(CC=C)C(=O)Nc1nc2ccsc2s1 344712010 PNLSOKCZCIGHPT-UHFFFAOYSA-N 279.390 3.564 30 20 CHED CCO[C@H](CCNc1snc(C)c1C#N)C1CCCC1 342817016 LCXRCBAWBGDAML-CQSZACIVSA-N 293.436 3.721 30 20 CHED C=CCOCCCC(=O)Nc1cc(Cl)cc(F)c1F 441566699 NEXZVXQRCGRERC-UHFFFAOYSA-N 289.709 3.540 30 20 CHED Cc1ccccc1O[C@@H](C)CNC1CCC(C)(C#N)CC1 449174130 YENASJMKJOYSEC-HJOIGYKYSA-N 286.419 3.824 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCC(C)(C)C1 443573967 BLCHUDPCLFMNRL-AWEZNQCLSA-N 285.391 3.957 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCC[C@H]1Cc1ccccc1 602560363 SWCPWBQKBMIISN-NJAFHUGGSA-N 270.420 3.927 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@H]1C)c1ccc(C(C)(C)C)cc1 448662376 BGBCHDPBHIGYCV-FHSNZYRGSA-N 284.403 3.711 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N(CC#N)C2CC2)cc1 609968968 BAQQRMUDAHWIGJ-AWEZNQCLSA-N 284.403 3.818 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H](C)CCSCC 268197749 MBTNUYZLRATCOT-CYBMUJFWSA-N 269.454 3.745 30 20 CHED N#CCCN(CCC#N)CCc1ccc2ccccc2c1 265847056 XZCHNGIOBOYWBD-UHFFFAOYSA-N 277.371 3.512 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2cc(C)ccc2n1 352769137 HHICWLPAEVPFAR-AWEZNQCLSA-N 268.360 3.628 30 20 CHED COC[C@@H](CC(C)C)N[C@H](CCC#N)c1ccccc1 358330501 QIGDVAVKRAPQLY-IAGOWNOFSA-N 274.408 3.682 30 20 CHED C=CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1 539035623 SCSYITRDGGHKEU-SOUVJXGZSA-N 261.409 3.770 30 20 CHED N#CCc1ccc(C(=O)Nc2cc(F)ccc2Cl)cc1 536248186 IGQKTILDSIEMOU-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccn(C)c1-c1ccccc1 614395902 FFMYFKMPTAEJPT-HNNXBMFYSA-N 282.387 3.777 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]([C@H](C)CC)C(F)(F)F 446290953 FANNPIICBDDOCE-GHMZBOCLSA-N 280.334 3.571 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H](CC=C)C2)cc1 617787737 WEVQHZXNSGCQLT-OAHLLOKOSA-N 285.387 3.680 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC=C(c2ccc(C)nc2)CC1 442811989 PWRQEAGXJJPRPG-GOSISDBHSA-N 284.403 3.608 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1ccc(OCC#N)cc1 264109465 IWENDYFYPNYIOS-OAHLLOKOSA-N 280.371 3.782 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 613304448 CRNKTVIWLCWQGS-IRXDYDNUSA-N 271.404 3.680 30 20 CHED C=CCCOCc1nc(CSCc2ccccc2)no1 612952670 FGICCXYWGGTCMQ-UHFFFAOYSA-N 290.388 3.596 30 20 CHED Cc1nc(N[C@H]2c3ccccc3O[C@H]2C)c(Cl)cc1C#N 359980248 BKZSKUAMRBAYDO-ZUZCIYMTSA-N 299.761 3.849 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C1(c2ccccc2)CCCC1 611250909 OOKKQRLBKZRLRW-INIZCTEOSA-N 284.403 3.553 30 20 CHED CCC[C@H](C)N(C)Cc1c(C#N)c(C)nn1-c1ccccc1 611346059 LFGNXNUWAHBMKX-AWEZNQCLSA-N 296.418 3.673 30 20 CHED N#Cc1ccc(N[C@H]2CC23CCOCC3)c(C(F)(F)F)c1 450790148 GOSFPYKXAXDJOE-ZDUSSCGKSA-N 296.292 3.558 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cccc(C2CC2)c1)C1CC1 458904116 NDGZMMKCYOPDHP-CYBMUJFWSA-N 284.403 3.985 30 20 CHED C=CCCNC(=O)CCC[C@@H](C)c1cccc(OC)c1 617618363 MTLVWWFVXLNPCN-CQSZACIVSA-N 275.392 3.661 30 20 CHED Fc1ccc(C#CCN2CC[C@@H](c3ccccc3)C2)cc1 533326136 MNSPDCLELJUCNI-GOSISDBHSA-N 279.358 3.667 30 20 CHED N#CC1(CN[C@H]2CCCC[C@H]2CC(F)(F)F)CCC1 451295787 KPLPYYNGCANUPW-RYUDHWBXSA-N 274.330 3.781 30 20 CHED Cc1cccc([N+](=O)[O-])c1N[C@H]1CCc2cc(C#N)ccc21 618693198 BLXAXTQAGNXNPZ-HNNXBMFYSA-N 293.326 3.874 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc2c1OCO2 611871404 MYVRXSQFNDDZSW-OAHLLOKOSA-N 292.338 3.776 30 20 CHED CCC[C@](C)(CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 619438116 PQTPESKAASQHCT-GUYCJALGSA-N 272.392 3.952 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](Cc1nc(C)no1)c1ccccc1 277089003 KHYZSCHUPXEJLT-GRDNDAEWSA-N 299.418 3.852 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CCC[C@H]2CCO)c1 275011634 JKUAKFHOKJEQCW-WCQYABFASA-N 298.308 3.540 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cnn(CC)c1 279939420 GXHJJKFMKIATEG-UHFFFAOYSA-N 298.390 3.513 30 20 CHED CC(C)CCOc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1 450007946 DTMHZGBHBJXPLT-DYVFJYSZSA-N 286.375 3.600 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc([C@@H]2CCCC(C)(C)C2)no1 453170583 IHUZWVDKXUJQHU-HFAKWTLXSA-N 259.353 3.555 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1Cl 548607241 SJRHQBXEZVWBJN-UHFFFAOYSA-N 296.757 3.953 30 20 CHED CCCCS[C@H](C)C(=O)Nc1cccc(CC#N)c1 456741707 YRZBTTMVSYSTBH-GFCCVEGCSA-N 276.405 3.613 30 20 CHED C=C(CC)CNC(=O)N(CC1CC1)C1CCCCC1 459066521 ANGGPQDGRLTBSI-UHFFFAOYSA-N 264.413 3.707 30 20 CHED C=CCC[C@H](CCC)NC[C@@H]1CCOC(C)(C)C1 453438993 VPUOKGGRFWIXRH-CABCVRRESA-N 253.430 3.916 30 20 CHED C=CCOCCCC(=O)N[C@@H]1CCCCC12CCCC2 361202800 WCBNLBBDYPNOFP-OAHLLOKOSA-N 279.424 3.588 30 20 CHED C=CC[C@H](C)[C@@H](C)NC1(c2noc(C(F)F)n2)CCC1 366537332 WTHMIUMDOZKSEG-VHSXEESVSA-N 285.338 3.577 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2ccccc2C)C1 276883775 GPVFIVASDHCWPJ-CRAIPNDOSA-N 271.404 3.913 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cnc(C#N)c(Cl)c1 455782946 KOHBVZWOHNFRMY-ZJUUUORDSA-N 294.786 3.553 30 20 CHED C[C@@H](CCC(=O)N1CCC(CC#N)CC1)c1ccccc1 541051599 QSTRPSUYGGLOPE-HNNXBMFYSA-N 284.403 3.723 30 20 CHED CCOC(=O)[C@@H](CC(C)C)Sc1ccc(C#N)cc1 543860068 DZFIXLVKNNOZQS-CQSZACIVSA-N 277.389 3.628 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccccc1OC(F)F 274306714 VQMNZNHEPKNICX-LLVKDONJSA-N 295.329 3.515 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1c1ccsc1)OCC 270070986 XPBQBYKKFKVFCJ-HUUCEWRRSA-N 293.432 3.783 30 20 CHED C=CCN(C(=O)c1ccc(-n2cccn2)c(C)c1)C(C)(C)C 622945729 QADQYLUAYODIFH-UHFFFAOYSA-N 297.402 3.607 30 20 CHED CC#CCCNC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 549496674 LYMHYYXTHLXGEL-BCDXTJNWSA-N 296.414 3.520 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@H]1CCC[C@@H]1C 469493976 MVQPNHLAPCPKPR-LSDHHAIUSA-N 287.403 3.694 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccc(Cl)c(F)c1 620857250 UHJVRIGLMXNBAS-UHFFFAOYSA-N 283.774 3.883 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1Oc1ccccc1 465143595 AOHUDDGLAQPBNV-ZDUSSCGKSA-N 267.328 3.783 30 20 CHED Cc1ccc(C(=O)N(CC#N)C2CCCC2)c(F)c1Cl 279018382 LQOGPJABABCHSG-UHFFFAOYSA-N 294.757 3.696 30 20 CHED CN(CCC(C)(C)C#N)Cc1ccccc1N1CCCC1 272009608 KAIIMRMECAPNCG-UHFFFAOYSA-N 285.435 3.658 30 20 CHED C=CCN(C(=O)c1cc2ccccc2c(OC)n1)C(C)(C)C 622943837 SXMLJLLLXDKPAJ-UHFFFAOYSA-N 298.386 3.670 30 20 CHED COc1ccc(-c2ccccc2)cc1CNC[C@@H](C)C#N 543619726 LXMLTUHSYRKZNY-AWEZNQCLSA-N 280.371 3.611 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CC3(CCCCC3)C2)c1 285767490 JDOAXVHPZRRNTK-UHFFFAOYSA-N 288.778 3.618 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1[C@H]1CCCO1 375296169 PAHYHZVNQWCQRL-LSDHHAIUSA-N 267.413 3.517 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 464559621 ISVFHZBUGZYTDB-ARFHVFGLSA-N 261.409 3.655 30 20 CHED CCc1ccc([C@H]2CCCN(c3cnccc3C#N)C2)cc1 557760418 BNZMZFVDHGYHEJ-SFHVURJKSA-N 291.398 3.900 30 20 CHED C[C@H](C(=O)N[C@@H]1CCCCC1(C)C)c1cccc(C#N)c1 462198467 JCNGWGYQBMRSSP-XJKSGUPXSA-N 284.403 3.747 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(CC#N)cc2)C1 280561900 OGTQHHBYANCJPA-MRXNPFEDSA-N 284.403 3.651 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 630327993 CSXOSJRUVUFEOD-JKSUJKDBSA-N 299.370 3.582 30 20 CHED CCOc1ccccc1[C@H](CC)NC(=O)[C@](C)(C#N)CC 288391679 LPXUUNYWUCLKNQ-YOEHRIQHSA-N 288.391 3.592 30 20 CHED C=CCOc1ccc(CNC(=O)CC(CC)CC)cc1 552585578 JCTYFJMYCSDFRF-UHFFFAOYSA-N 275.392 3.694 30 20 CHED CO[C@@]1(C)CCCN([C@@H](C)c2cccc(C#N)c2)CC1 280588970 UEFMUFBPSBCYTC-YOEHRIQHSA-N 272.392 3.510 30 20 CHED N#Cc1ccc(NC(=O)Nc2cccc3cc[nH]c23)cc1F 557539369 CKPUMVHIOXNUKA-UHFFFAOYSA-N 294.289 3.823 30 20 CHED C[C@H](C#N)OCCSCc1coc(-c2cccs2)n1 802749446 CQBOAAOBIPXFCW-SNVBAGLBSA-N 294.401 3.565 30 20 CHED C#Cc1cccc(NC(=O)N2CC(C)(C)[C@H]2C(C)C)c1 292616017 KXGLTJZBCZIIKT-OAHLLOKOSA-N 270.376 3.566 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCO[C@H](CC)C2)CCCC1(C)C 470295404 DWEUTCQXWVSCBD-OAGGEKHMSA-N 293.451 3.785 30 20 CHED CC[C@@H](C(=O)N(C)[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 297659314 BPBMRQLIRWKHQQ-GXFFZTMASA-N 298.308 3.569 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCOc1ccc2ccccc2c1 803784454 DDJZGKWQZUQPGF-SFHVURJKSA-N 297.354 3.702 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCC[C@H](OC)C1 551035236 ORVONKGHMVSCHL-IRXDYDNUSA-N 293.451 3.787 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](C)C(C)(F)F 293306319 PYFXFNNKJCPXQI-CYBMUJFWSA-N 281.346 3.535 30 20 CHED CC(C)c1ccc(C[C@H](C)NC(=O)CCCC#N)cc1 291956493 QWPUATIPWPFVOP-AWEZNQCLSA-N 272.392 3.551 30 20 CHED C#CCN(C(=O)[C@H](C)c1cccc(CC(C)C)c1)C1CC1 803110257 XRJCZJNYGNKVIH-OAHLLOKOSA-N 283.415 3.613 30 20 CHED CCCSCC(=O)Oc1cc(C)c(C#N)c(C)c1C 809036233 UGBQQPZOFKGCRX-UHFFFAOYSA-N 277.389 3.532 30 20 CHED C[C@@]12CCN(c3ccc(C#N)cc3F)C[C@H]1C2(Cl)Cl 804705104 RNCUZFQRSNKEOG-CHWSQXEVSA-N 299.176 3.717 30 20 CHED C=CCC[C@@H](C(=O)OCc1cnc(C)nc1)c1ccccc1 803450282 GLALAHXSQQXPCB-QGZVFWFLSA-N 296.370 3.578 30 20 CHED C[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)CC12CCCCC2 563498370 SVAPAUPAVOWYQH-PMPSAXMXSA-N 260.425 3.971 30 20 CHED C#C[C@H](NCc1cnc(C2CCCC2)s1)C(C)(C)C 809780964 BZWZLQVHWUTUBG-AWEZNQCLSA-N 276.449 3.938 30 20 CHED C#C[C@H](NCc1ccc(SC)c(OC)c1)C(C)(C)C 809781882 CMHLFWDNLIINSG-HNNXBMFYSA-N 277.433 3.555 30 20 CHED CC(C)(C)CCC(=NNCC(F)F)c1cscn1 807971749 FWWFZCJQUIDUIA-UHFFFAOYSA-N 275.368 3.528 30 20 CHED Cc1cccc([C@@H](C)CN=c2[nH]ccc(C#N)c2Cl)c1 569856413 DDWFBYRMUUXENL-LBPRGKRZSA-N 285.778 3.553 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 294269144 BWFSHUHKVXMMIO-XHBSWPGZSA-N 290.794 3.642 30 20 CHED C#C[C@H](NC(=O)CCCC=C)c1ccc(Cl)cc1F 804424096 FEJUXQUMNQEEFQ-AWEZNQCLSA-N 279.742 3.626 30 20 CHED CCN(C(=O)c1cnc(C)s1)[C@@H](C)c1ccc(C#N)cc1 299611129 YEIBOWDLFFSYOO-NSHDSACASA-N 299.399 3.547 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)N[C@H]1CC[C@@H](CC#N)C1 295138030 ZBNYDAWNTVGEDU-XEZPLFJOSA-N 276.811 3.943 30 20 CHED Cc1nc2c(s1)[C@H](N(C)c1ccc(C#N)c(C)n1)CCC2 291962930 OGVWDJTYKSQIIK-CQSZACIVSA-N 298.415 3.540 30 20 CHED CC[C@@H]1CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 292658428 OCUUTKSXFLPORA-CQSZACIVSA-N 271.364 3.504 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)c1cc(C#N)ccc1Cl 803013817 YOMPWAQVMBUNNZ-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CCC1(CNC(=O)N2CCC(CCC#N)CC2)CCCC1 567756385 XZSVMOCVGGRNQY-UHFFFAOYSA-N 291.439 3.682 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H](C)c1ccco1 293069069 SCCGTNWNKSQTSD-GFCCVEGCSA-N 286.379 3.522 30 20 CHED Cc1ccccc1[C@@H](NC(=O)CCCC#N)C(C)(C)C 291977905 UFHAABBLUYTXJK-MRXNPFEDSA-N 272.392 3.892 30 20 CHED C[C@@H](c1ccc(Cl)cc1)N(CCO[C@H](C)C#N)C1CC1 801930392 OPTQHGQKPZCTSN-OLZOCXBDSA-N 292.810 3.794 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@@H](OCC)C(=C)C)CCCC1(C)C 470302020 JWACOPRBZYBGNT-CVEARBPZSA-N 293.451 3.951 30 20 CHED CC(C)Oc1cccc(/C=C/c2ccncc2C#N)c1 470281154 VEYHDDBCKBUTHN-VOTSOKGWSA-N 264.328 3.911 30 20 CHED Oc1ccc2ccccc2c1C=NNCc1ccccc1 714549377 AWYCQTYNDQZGQK-UHFFFAOYSA-N 276.339 3.669 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cccc(F)c1C#N 811687971 UKMUZVQNBOJTBV-KTKRTIGZSA-N 265.287 3.902 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnc(C(C)(C)C)s1 488823528 YQAZZBITDAZCDW-NSHDSACASA-N 278.421 3.621 30 20 CHED Cc1nsc(N2CCC[C@@](C)(c3ccccc3)C2)c1C#N 567575430 HWDHGPFMNUHVGJ-QGZVFWFLSA-N 297.427 3.881 30 20 CHED FC(F)(F)CCON=C1CC[C@H]2CNc3cccc1c32 814909807 KYCYHZFRLQJCAM-VIFPVBQESA-N 284.281 3.663 30 20 CHED CS[C@@H]1CCCCN(Cc2ccc(Cl)cc2C#N)C1 480842525 FQUPVJLJDCPTIM-OAHLLOKOSA-N 294.851 3.929 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1C1CCCCC1 489069432 GDJUCGQIJRRINB-MRXNPFEDSA-N 286.419 3.859 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(Cl)cc1C 814816893 BAYKBXYLBXBTCT-UHFFFAOYSA-N 259.683 3.798 30 20 CHED COc1ccc2c(c1)C(=NOC/C=C/Cl)CCS2 811671607 HVJYNNFBRNWJBJ-VGPTYMPXSA-N 283.780 3.664 30 20 CHED CC(C)[C@H](OC(=O)CCCC#N)c1ccc(F)c(F)c1 813080849 HEJOPRPGMXOPEF-HNNXBMFYSA-N 281.302 3.899 30 20 CHED C[C@H]1SCCC1=NNc1cc(Cl)nc(Cl)c1 819828963 WSQYKYXRFRYESH-ZCFIWIBFSA-N 276.192 3.682 30 20 CHED CCOc1ccc(NN=C2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 814984687 FQCDVMJMQZLCLP-HOCLYGCPSA-N 288.391 3.688 30 20 CHED C=CC(C)(C)C(=O)NCc1c(Cl)cccc1Cl 570666522 GJBWPKGKTOKLMI-UHFFFAOYSA-N 272.175 3.822 30 20 CHED C=CCOc1ccccc1C(=O)Oc1cccc(F)c1F 727793201 SDTZQPBNTCRZHY-UHFFFAOYSA-N 290.265 3.749 30 20 CHED CC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cs1 815280398 IUVUIRTUDXESNI-NSHDSACASA-N 299.351 3.740 30 20 CHED C[C@@](C#N)(NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 577292656 KABFUSWCTCRXLV-XSWJXKHESA-N 288.435 3.791 30 20 CHED C=CCC1(NCc2ccnn2CCC)CCCCC1 657485381 ZROLVBYBZUHACQ-UHFFFAOYSA-N 261.413 3.662 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(F)c2C#N)cnn1C(C)C 811692162 XLEHFKXSQSPEFE-FPLPWBNLSA-N 297.333 3.679 30 20 CHED CCc1ccc(C(C)=NNc2ccccc2C(=O)O)s1 812445816 ATRRCNLAXULJGW-UHFFFAOYSA-N 288.372 3.845 30 20 CHED C=CCC1(NCc2ccc([C@@H]3C[C@@H]3C)o2)CCOCC1 657633526 XBUVFIYHXRXVTO-DZGCQCFKSA-N 275.392 3.618 30 20 CHED COc1cccc2c1C/C(=C\c1cccc(F)c1C#N)C2=O 811693130 KJTSHIHXJBHFFH-XYOKQWHBSA-N 293.297 3.528 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1F 727653120 FCCRPSHKCNZGPL-POHAHGRESA-N 294.329 3.659 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCC[C@H](C)C2)c1 726455798 GTDFTPQFJQTMRQ-JSGCOSHPSA-N 272.417 3.533 30 20 CHED C#C[C@@H](CC)NC(=O)c1occc1CSc1ccccc1 491695674 XWNQHBSHQLKQMN-AWEZNQCLSA-N 299.395 3.714 30 20 CHED Cc1cc(/C=C2/Oc3cc(O)cc(C)c3C2=O)ccc1F 729150917 PUMCTNQKHGKEPE-VIZOYTHASA-N 284.286 3.764 30 20 CHED CC1=C(C)C[C@@H](C(=O)OCc2ccc(C#N)cc2)CC1 829793575 JFFGLSFJRDPVAZ-INIZCTEOSA-N 269.344 3.738 30 20 CHED COCC[C@@H](C)Nc1ccc(OC(C)(C)C)c(C#N)c1 824722028 MBEWUJCOLDLYRZ-GFCCVEGCSA-N 276.380 3.572 30 20 CHED C=CCCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1 661033741 KTXGAIHVISPLIN-HNNXBMFYSA-N 276.355 3.638 30 20 CHED C=CCCNC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 663949707 FAHHQKCUNJOCGS-UHFFFAOYSA-N 298.308 3.570 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)CC1 668569215 SWAOVNDGPMJYOP-ZWKOTPCHSA-N 283.415 3.832 30 20 CHED CC/C(C)=C\C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 826689782 PMFNEQXJGYCESS-LMAMMIIJSA-N 282.387 3.641 30 20 CHED Cc1ccc(NN=C2CC[C@H]3CCCC[C@H]3C2)nn1 729935856 SXQBYKGKJIEREI-OLZOCXBDSA-N 258.369 3.543 30 20 CHED Cc1nc(NCC[C@@]2(C)CC2(Cl)Cl)ccc1C#N 829063306 QUCHCZCGSSKQLV-LBPRGKRZSA-N 284.190 3.648 30 20 CHED C=CCOCCCC(=O)NCC(C)(C)C1CCCCC1 498891458 LRUWIXSOGKYDJC-UHFFFAOYSA-N 281.440 3.692 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(OC(C)C)cc1Cl 491524957 PHTPDZCCTMLMGZ-LLVKDONJSA-N 294.782 3.613 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1ccccc1)c1ccc(C)cc1 495061413 DAMUSWGFLWMWRX-YLJYHZDGSA-N 295.426 3.859 30 20 CHED CCOCC(C)(C)CN[C@@H](CC)c1cccc(C#N)c1 902992930 FYQRRPAOCAHNOI-INIZCTEOSA-N 274.408 3.662 30 20 CHED C=CCN(C(=O)/C=C\c1ccco1)c1ccccc1 820801702 BGEFNRXMNGYUIX-KHPPLWFESA-N 253.301 3.512 30 20 CHED C=C(C)CN(CCCC1CCC1)Cc1ccc(CO)o1 660539626 VKAIYMCQLRDQGZ-UHFFFAOYSA-N 277.408 3.730 30 20 CHED C=C(Cl)CNC(=S)Nc1cccc(C(F)(F)F)c1 735981485 GROWKOKQAMIRDY-UHFFFAOYSA-N 294.729 3.744 30 20 CHED N#Cc1cc(NCc2ccc(Cl)nc2)nc2ccccc12 736287022 SVJPUNBESJQENU-UHFFFAOYSA-N 294.745 3.767 30 20 CHED C=CCCCOC(=O)Cc1ccc(-n2cccc2)cc1 735528525 RXLSATUDVLGYIG-UHFFFAOYSA-N 269.344 3.529 30 20 CHED Cc1ncsc1C(=O)N(O)Cc1cccc2ccccc12 900091549 AUJZNOMXNXOVGC-UHFFFAOYSA-N 298.367 3.636 30 20 CHED N#Cc1cccc(OCCCSCc2ccncc2)c1 901629526 DPKRVFVHFLIKQT-UHFFFAOYSA-N 284.384 3.656 30 20 CHED Cc1nnc(CSCCCCC2(C#N)CCC2)s1 901778368 NKSGJQFBLSNVAZ-UHFFFAOYSA-N 281.450 3.944 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cccn1Cc1cccs1 839036597 XBNXHTYSEFSWRQ-CYBMUJFWSA-N 287.384 3.557 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@@H](C2CCC2)C1 665677698 BWSARESGVQPNDN-OAHLLOKOSA-N 285.387 3.514 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC=C(c2ccc(C)cc2)CC1 735111671 ADZFOHNVPZAZGQ-OAHLLOKOSA-N 284.403 3.758 30 20 CHED CCCCCCCOC(=O)c1c(F)cccc1NC(C)=O 734195429 SFMHFVCYOKAJTH-UHFFFAOYSA-N 295.354 3.911 30 20 CHED C=CCOCCN[C@@H]1CCCC[C@H]1Cc1ccccc1 581739318 XSARIJYQKAIKAI-ZWKOTPCHSA-N 273.420 3.580 30 20 CHED CCCCNN=Cc1cnc(-c2ccc(C)cc2)s1 734298550 GTIHPMHTXQEUDX-UHFFFAOYSA-N 273.405 3.842 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)c1cccs1)c1ccncc1 737854475 HWRMDSDQOXKWPZ-JSGCOSHPSA-N 286.400 3.680 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCC1)c1csc2ccccc12 736013067 HDRLJQMAJZDTBM-LLVKDONJSA-N 284.384 3.772 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)/C=C\c1ccccc1C#N 736052914 MLPJWTBRWDDGQG-CMUBDUJZSA-N 284.403 3.902 30 20 CHED C[C@H]1C[C@H](C(=O)OCCCC(C)(C)C#N)CC[C@H]1C 837822725 ANMNHNWPGNMKGR-HZSPNIEDSA-N 265.397 3.932 30 20 CHED C=CCC1(C(=O)OCc2noc(CCC)n2)CCCCC1 838151593 MJLZOPCQXIBILQ-UHFFFAOYSA-N 292.379 3.592 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)OCc1ccnc(C#N)c1 830092214 VBDPJAUGESUUEH-CQSZACIVSA-N 286.375 3.769 30 20 CHED CCOc1ccc(/C=N\Cc2ccc(C)s2)c(O)c1 915982255 URUDJCIKZSXWOQ-SXGWCWSVSA-N 275.373 3.780 30 20 CHED Cc1cccc(CN(C)C(=O)CC2(C#N)CCCCC2)c1 596743857 CNBXVSWLWJMIIB-UHFFFAOYSA-N 284.403 3.818 30 20 CHED N#CC1(CC(=O)NCC2(C3CC3)CCC2)CCCCC1 597428832 QYJKJAITOANWJZ-UHFFFAOYSA-N 274.408 3.547 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@@H]2C2CCC2)cc1F 835009790 ZYAGJDQOHLGLIA-LLVKDONJSA-N 276.311 3.502 30 20 CHED C[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CC2(CCCC2)O1 592195899 VNOBHRRAOWJTKZ-LSDHHAIUSA-N 284.403 3.653 30 20 CHED C#CCCCCNC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 838517870 XSMPXZXLMCDIPO-JFIYKMOQSA-N 298.430 3.766 30 20 CHED COc1cccc(C2(N[C@@H]3CCC[C@H](C#N)C3)CCC2)c1 595093928 PUWNFILJJFRDHH-GOEBONIOSA-N 284.403 3.746 30 20 CHED CCC(=NNc1cc(C)nc(C)n1)c1ccc(C)cc1 915970805 NRWYMMAXBCOZNS-UHFFFAOYSA-N 268.364 3.628 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1ccccn1 916260377 YGUSJUIIMVBLCY-UHFFFAOYSA-N 279.265 3.937 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1cccc(O)c1 740764611 ZYRSCFCMGQBOGG-CMDGGOBGSA-N 275.307 3.837 30 20 CHED Cc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)cn1 844233542 PJVUZTYWNWJCTL-UHFFFAOYSA-N 278.355 3.629 30 20 CHED CC(C)CON=CC(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1 749635988 CCOLFHWXBQVURQ-HNNXBMFYSA-N 292.379 3.732 30 20 CHED Cc1cc(Br)ccc1CN(C1CC1)[C@H](C)C#N 595710530 SLAZXXYTVYRYPV-LLVKDONJSA-N 293.208 3.634 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(C1CC1)[C@@H](C)C#N 598128328 IJTCQLXQNGBOIB-ZFWWWQNUSA-N 276.424 3.886 30 20 CHED C#CCN(CC)C(=O)c1ccc(-c2ccc(F)cc2)s1 919876031 AWZIMRUNERQYAX-UHFFFAOYSA-N 287.359 3.650 30 20 CHED N#C[C@@H](CO)Cc1cccc(-c2cccc3c2CCC3)c1 596637835 FSROUQPHABZPEF-HNNXBMFYSA-N 277.367 3.517 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 593406516 DDRLQLDVZDUEKR-SWLSCSKDSA-N 290.382 3.969 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1C(C)C 847024476 FYIRIHJXZMOHFH-YOEHRIQHSA-N 287.403 3.521 30 20 CHED C=C(Br)CN(C)c1cc(C)ccc1C 919647904 JIAXTUHNGBFRBB-UHFFFAOYSA-N 254.171 3.648 30 20 CHED N#CC1(CSCc2nc3ccccc3[nH]2)CCCC1 917847778 OVBXWGUFXOEXBH-UHFFFAOYSA-N 271.389 3.880 30 20 CHED Cn1ccc(C=NNc2nc(-c3ccccc3)cs2)c1 749857814 FYBZLOZLAPNIIJ-UHFFFAOYSA-N 282.372 3.595 30 20 CHED CCC(=NNc1nc(-c2ccccc2)no1)[C@H]1C[C@H]1C 841625294 SDPPLLQIJJINRG-PWSUYJOCSA-N 270.336 3.571 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 599738476 CBHGHHLJVOOLBJ-SNVBAGLBSA-N 292.345 3.800 30 20 CHED C=CCN(C(=O)CC1(CSC)CC1)c1ccccc1 593019233 DSEXGSZITJGDST-UHFFFAOYSA-N 275.417 3.739 30 20 CHED Cc1ccc(CON=Cc2c(C)nc3sccn23)c(C)c1 842030307 BLBZAHAOIDVXRP-UHFFFAOYSA-N 299.399 3.872 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)C(CC)CC 916559676 AEWLXXYKFBZLTB-UHFFFAOYSA-N 295.766 3.952 30 20 CHED C=C[C@H](C)ON=C(COC(F)(F)F)c1ccccc1 844623166 ADENMECIFNUCQP-JTQLQIEISA-N 273.254 3.518 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(-c3cccs3)on2)C1 595610209 TVVVCJYLSUXDBV-LBPRGKRZSA-N 287.388 3.529 30 20 CHED CCC(=NNc1ncc(Cl)cc1Cl)C1CC1 741161708 FISKMDCTSHKMQY-UHFFFAOYSA-N 258.152 3.976 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@@H](N)[C@H](CC)C1 841661566 YAGTVNSTXBDQKF-HZPDHXFCSA-N 297.487 3.506 30 20 CHED CCN(Cc1cccs1)[C@@H](C#N)c1ccccc1 595288575 OAPPQFQAPPWZLW-HNNXBMFYSA-N 256.374 3.835 30 20 CHED CCN(CCCN[C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 593660996 VEXRWUFWBQVOCR-IAGOWNOFSA-N 291.483 3.703 30 20 CHED C=CCCSCCNC(=O)[C@H]1CCCc2ccccc21 597970162 DOLMUUXLZUURPQ-INIZCTEOSA-N 289.444 3.532 30 20 CHED N#CC1CCC(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 594504665 RPCUPKHVFKXUSZ-SEEARECTSA-N 299.374 3.502 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 593745029 YKFRUYRXNWBJPM-TXCZRRACSA-N 284.403 3.625 30 20 CHED CN(CCC(C)(C)C)C(=O)c1ccc(C#N)c(Cl)c1 592684799 ROXDHZJARQWOBZ-UHFFFAOYSA-N 278.783 3.720 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1ncoc1C(C)C 840538663 ROLPVUJIPATPPG-OAHLLOKOSA-N 298.386 3.715 30 20 CHED CC1(C)C[C@H](C/N=C\c2cc(Cl)ccc2O)CCO1 840711622 XZCKYWPMQIWDMB-VBYYMIJXSA-N 281.783 3.670 30 20 CHED C=C(Cl)COC(=O)CCc1ccc(OCCC)cc1 745483608 SSSTZLVSVJDHOV-UHFFFAOYSA-N 282.767 3.704 30 20 CHED C=CCNc1nnc(SCC=C(Cl)Cl)s1 849854747 BOJJUTYRWLAMOW-UHFFFAOYSA-N 282.221 3.547 30 20 CHED C=C(Cl)CN1CCc2[nH]c3ccc(Cl)cc3c2C1 749283591 GURISISXEWEANO-UHFFFAOYSA-N 281.186 3.932 30 20 CHED CC(C)(C#N)Cc1nc(C2(c3cccc(F)c3)CCC2)no1 924188183 HCALVJGEXZMDDA-UHFFFAOYSA-N 299.349 3.771 30 20 CHED N#Cc1cc(COC(=O)/C=C\c2cccc(F)c2)ccc1F 758911821 HDPIOJMYOKJIEF-ALCCZGGFSA-N 299.276 3.593 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2CCc3cc(F)ccc32)c1 920174722 OJWFDNRTWBVZFN-WSLMLHKMSA-N 285.318 3.646 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1cc2ccccc2[nH]1 759347345 SZYWZPINNKLYDA-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cccc2c1OCC2 921980743 NWYYJPNOKXDKRA-ZDUSSCGKSA-N 294.354 3.524 30 20 CHED Cc1ccc(/C=C2\COc3c(F)cc(F)cc3C2=O)cc1 920066672 UWDRKWABQGYKPX-WUXMJOGZSA-N 286.277 3.932 30 20 CHED CCCCCCCCNc1cc(C)nc(COC)n1 754787994 ZBYDFCUMIKUFKN-UHFFFAOYSA-N 265.401 3.704 30 20 CHED C#CC[C@H](NCc1csc(C2CC2)n1)c1ccccc1 756995044 CSCICHREWLIAQB-INIZCTEOSA-N 282.412 3.875 30 20 CHED C(=NO[C@H]1CCCCO1)c1csc(-c2cccs2)n1 755815347 RFKQOQXPIPZVRG-LBPRGKRZSA-N 294.401 3.749 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@H]1c1cc(C)ccc1C 753246222 IZCOYSQLGZDTKH-RDJZCZTQSA-N 284.403 3.562 30 20 CHED CCCCCCCC(=O)Nc1ccc(O)cc1OC 923607687 GMUXMFRUZILXPQ-UHFFFAOYSA-N 265.353 3.700 30 20 CHED CCOc1cccc(C=NNc2cc(F)cc(F)c2)c1 920374493 CDYPXRCXLNWFKH-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CO[C@@H](CN[C@@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 925158970 VYTAYIXVZKOQTH-WFASDCNBSA-N 294.826 3.945 30 20 CHED CCSc1cccc(/C=C2\CCn3nccc3C2=O)c1 853008970 BXOPJGQMIKQYJP-JLHYYAGUSA-N 284.384 3.665 30 20 CHED Cc1nc(CCCC(=O)O[C@@H](C)CC(C)(C)C#N)cs1 851210763 XYEQBUUVQXGRMF-NSHDSACASA-N 294.420 3.646 30 20 CHED C=CCCNCc1cc(C)c(OC(F)F)c(C)c1 850354252 BMWGTXGMYIYFJW-UHFFFAOYSA-N 255.308 3.571 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c[nH]cc1Cc1ccccc1 935798698 HDPUDMFGKFKQNL-MRXNPFEDSA-N 282.387 3.690 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(OC(F)F)cc1 860197235 HANQEVUJWWHRAY-UHFFFAOYSA-N 297.301 3.661 30 20 CHED C=C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 865527934 SOYCHHCIZRBLAC-UHFFFAOYSA-N 268.263 3.689 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)c1ccccc1C)c1ccncc1 932887520 UWRXMHWPCOFJHT-YJBOKZPZSA-N 294.398 3.927 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H](C)C(CC)CC 761497337 SBFFRWLEFZLDQY-GFCCVEGCSA-N 289.375 3.935 30 20 CHED CC(C)CCO[C@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 764615146 VHRMFGNDJNYHLL-ZIAGYGMSSA-N 289.375 3.614 30 20 CHED C=CCCC(=O)COC(=O)[C@H](c1ccccc1)[C@@H](C)CC 761350824 YORNBWFHLBGYEX-YOEHRIQHSA-N 288.387 3.895 30 20 CHED CC(C)O[C@@H]1CC(=NNc2ccc(C#N)cc2)C1(C)C 764904470 KTLXIHUFRWCCBN-OAHLLOKOSA-N 271.364 3.550 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H](F)c2ccccc2)cc1 769564532 WYPUBEJPJADSMY-KRWDZBQOSA-N 296.345 3.953 30 20 CHED C#CCCCNC(=O)CC1CCC(C(C)(C)C)CC1 765486859 CFRQFBBKWCQVBD-UHFFFAOYSA-N 263.425 3.759 30 20 CHED Cc1cncc(C(=O)/C=C\c2nccc3ccccc23)c1 767368017 YEEFPCVVIKNCHQ-SREVYHEPSA-N 274.323 3.834 30 20 CHED COc1cc(F)ccc1NN=Cc1cnc(Cl)c(C)c1 761891573 ZJXGRHLDCNVLHI-UHFFFAOYSA-N 293.729 3.637 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2cc3ccccc3o2)c1 766491802 RBONQCCSUUTYCJ-VOTSOKGWSA-N 296.278 3.709 30 20 CHED C=CC[C@@H]1N(Cc2ncc(Cl)n2C)CCCC1(C)C 769953383 JYEWSJITASIKJC-LBPRGKRZSA-N 281.831 3.640 30 20 CHED CCCCOc1ccccc1C=NOCc1cccnc1 767387445 IAGLUSKUJMMWPK-UHFFFAOYSA-N 284.359 3.811 30 20 CHED C=CCOc1ccccc1CNC(=O)CC(C1CC1)C1CC1 1116026669 NFTWZBGKWHVMGY-UHFFFAOYSA-N 299.414 3.694 30 20 CHED C#C[C@@H](OC(=O)CC[C@H]1CCCCO1)c1ccc(C)cc1 860964154 KPBHFWGYJIBIOY-IAGOWNOFSA-N 286.371 3.562 30 20 CHED C#CCN(C(=O)[C@@H](C)c1ccc2ccccc2c1)C1CC1 763795938 SMDIAOFBONYQGS-AWEZNQCLSA-N 277.367 3.568 30 20 CHED C#CCCCSc1nnc(-c2cccc(Cl)c2)o1 766286839 AXACHUFNJGAFSK-UHFFFAOYSA-N 278.764 3.896 30 20 CHED C#C[C@H](C)N(C)C(=O)C1(c2ccccc2C)CCCCC1 767253882 XVAXTOGIHWHXKR-INIZCTEOSA-N 283.415 3.677 30 20 CHED C#C[C@@H](CC)OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 768044052 ORDWDJQEEVECHB-ZDUSSCGKSA-N 297.329 3.820 30 20 CHED O=C(/C=C\c1cccc(Br)c1)c1cscn1 769258891 FDSVSSRQMGNUQP-PLNGDYQASA-N 294.173 3.802 30 20 CHED CC(Cc1ccccc1Cl)=NNC[C@H]1CCSC1 1117683738 FCLCVAUZQZAUFM-GFCCVEGCSA-N 282.840 3.601 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2cc(C)ccc2F)cc1 767731433 YWYJKLBNYIEZMZ-NTMALXAHSA-N 298.313 3.817 30 20 CHED C=CCCCC(=O)Nc1cc(F)c(F)c(F)c1F 871270018 WUBMWCRMGIETSI-UHFFFAOYSA-N 261.218 3.538 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](C)c1sc(C)nc1C 878765784 QDKBJAMXZYBQPT-LLVKDONJSA-N 280.437 3.882 30 20 CHED C#C[C@@H](C)NC(=O)N(CCC)[C@H](CC)c1ccccc1 773592174 DQWIMTHKTYCMOB-GDBMZVCRSA-N 272.392 3.581 30 20 CHED C=CC[C@@H](C(=O)OCc1ncc(CC)o1)c1ccccc1 778418495 MYUZNBSHHJVNPX-OAHLLOKOSA-N 285.343 3.640 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCc2ccc(F)cc21 776192297 IVRVAIPRBLUGEK-UKTHLTGXSA-N 297.285 3.946 30 20 CHED C[C@H](CC#N)OC(=O)c1cc(Cl)cc(Cl)c1F 870204156 BQIJDWGKUZITST-ZCFIWIBFSA-N 276.094 3.591 30 20 CHED Cc1ccc(C=NNc2ccccc2OC(F)(F)F)nc1 777452458 WSLMKWUJNYWKJJ-UHFFFAOYSA-N 295.264 3.735 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1cnn(C)c1C 778542477 ZLAANRBHYWQQNK-UHFFFAOYSA-N 297.189 3.871 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(C)c(F)c1 1127603930 OVXWIYQXOSTIBF-QGZVFWFLSA-N 296.345 3.887 30 20 CHED Cc1cc2occ(C(=O)OCC3(CC#N)CC3)c2cc1C 770878057 UFMIEYNLFCRHCY-UHFFFAOYSA-N 283.327 3.900 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N(C)c1ccc(C#N)cc1 1126352926 LKPQDJDARSHAKE-CQSZACIVSA-N 278.355 3.633 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc(-c2ccccc2)ns1 1121161488 UNUSDJQPAYCKDS-CYBMUJFWSA-N 299.399 3.574 30 20 CHED C=CCCOC(=O)c1cc2cc(OC)ccc2nc1Cl 775017502 OTFUGSIQOZAOQG-UHFFFAOYSA-N 291.734 3.630 30 20 CHED C=C1CCC(C(=O)N2Cc3ccccc3C[C@H]2C)CC1 889210562 OHERVVSSGDUSQU-CQSZACIVSA-N 269.388 3.706 30 20 CHED C=CCSc1ccccc1C(=O)OCc1cccnc1 776723486 IJOWMONZAZXXQQ-UHFFFAOYSA-N 285.368 3.717 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1sccc1O 773147895 CSVMXWNGNNZCBT-WAYWQWQTSA-N 281.336 3.898 30 20 CHED C=CCCC(=NNc1cccc(C(=O)OC)c1)C1CC1 779826402 LFCPVLXTKRXEEZ-UHFFFAOYSA-N 272.348 3.617 30 20 CHED CC[C@@H](N[C@H](C)CCSC)c1ccc(C#N)cc1 774204254 YDLJOACNQLDVCD-IUODEOHRSA-N 262.422 3.741 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 775265213 ZYDRWPMFUVZCJD-UONOGXRCSA-N 288.391 3.649 30 20 CHED COc1ccc(CSCC(C)(C)CC#N)c(OC)c1 882307448 MFTUHIMVTFPZEE-UHFFFAOYSA-N 279.405 3.877 30 20 CHED C#CCC1(C(=O)Nc2ccc(Cl)cc2O)CCCCC1 788520671 JDAZKOKWBBBTEM-UHFFFAOYSA-N 291.778 3.958 30 20 CHED Clc1cc(C=Nn2cnc3ccccc32)c2c(c1)CCO2 782900409 JBHZVBWGGGFHTB-UHFFFAOYSA-N 297.745 3.507 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(COC(C)(C)C)c1 885619660 YAUBMIRTRKEYMD-UHFFFAOYSA-N 288.391 3.880 30 20 CHED C=CCCCCCOc1cccc(NC(=O)OC)c1 783022131 ATEKMWKQETYMBU-UHFFFAOYSA-N 263.337 3.990 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1cc(C#N)ccc1F 888359901 RZJZRFODATYAAD-NEPJUHHUSA-N 289.354 3.740 30 20 CHED C=C[C@H](C(=O)N[C@@H](C)c1nc(C)cs1)c1ccccc1 1123645871 VZVALDRIUASOPJ-JSGCOSHPSA-N 286.400 3.599 30 20 CHED C=CCC[C@@H](OC(=O)c1csc(C#N)c1)C1CC1 1122651190 ZFYNWSWFMKUIAA-CYBMUJFWSA-N 261.346 3.521 30 20 CHED C=C(C)CCN1CCC(COc2ccc(Cl)nc2)CC1 789315726 PLPGVIOTJUQMEC-UHFFFAOYSA-N 294.826 3.792 30 20 CHED CCC(=NN[C@@H]1CCOC(C)(C)C1)C1CCCCC1 780250404 MPGCMROVUQJHPY-CQSZACIVSA-N 266.429 3.880 30 20 CHED C#CCC1(C(=O)Nc2cc(Cl)ccn2)CCCCC1 788506650 VVRBVFKPJVUFIQ-UHFFFAOYSA-N 276.767 3.647 30 20 CHED CCCC[C@@H](C(=O)N(C)c1snc(C)c1C#N)C(C)C 891422792 BWZJXIJYPOJPPV-GFCCVEGCSA-N 293.436 3.748 30 20 CHED C=C[C@](C)(CC)C(=O)OCCCCOC(C)(C)C 789101839 ZFMKCUIAZJWXJY-OAHLLOKOSA-N 256.386 3.727 30 20 CHED C=C1CC(c2noc(CSc3ccccc3)n2)C1 896881084 CPPAHNTWAYWVTK-UHFFFAOYSA-N 258.346 3.796 30 20 CHED Cc1ccc(C)c(CN(CCC#N)Cc2ccco2)c1 78666684 IAVPWXYFYWSWPG-UHFFFAOYSA-N 268.360 3.812 30 20 CHED CC(C)CN(Cc1ccccn1)CC(C)(C)CCC#N 896665235 PYQCVFDELUMLIQ-UHFFFAOYSA-N 273.424 3.870 30 20 CHED C#CCCCCN[C@@H]1CC[C@@](C)(c2ccccc2)C1 783253039 FPLDAQJTLBRHHY-QZTJIDSGSA-N 255.405 3.890 30 20 CHED CCN(CCC#N)Cc1csc(-c2ccc(C)cc2)n1 81039928 LULRVEUSTRVIKU-UHFFFAOYSA-N 285.416 3.854 30 20 CHED CCCCCCCCOC(=O)[C@H]1CCC(=O)c2cccn21 789229825 ROYDTSXGWRUEGL-OAHLLOKOSA-N 291.391 3.909 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)c(CC)s2)c1 103033656 CKKPYRJGKQYMIT-UHFFFAOYSA-N 283.396 3.877 30 20 CHED C=CC(C)(C)C(=O)N1CCC2(CC1)C(C)=Nc1ccccc12 898246981 IBOROOCHKKRTJZ-UHFFFAOYSA-N 296.414 3.865 30 20 CHED Cc1cncc(COC(=O)C[C@H](CC#N)c2ccccc2)c1 795986756 RJCBOVGEYSYLPT-KRWDZBQOSA-N 294.354 3.521 30 20 CHED Clc1cccc(CNN=C2CCCc3cccnc32)c1 799111819 VVLCDVNNEZOURD-UHFFFAOYSA-N 285.778 3.565 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccccc1OCC 796463239 SRCWIRKLISZTLA-UHFFFAOYSA-N 262.349 3.731 30 20 CHED CC[C@@H](C#N)OC(=O)CC(C)(C)C1CCCCC1 796045963 AMJFCOGQXKSIBO-ZDUSSCGKSA-N 251.370 3.828 30 20 CHED Cc1csc(C(=O)OCCCCC#N)c1Cl 791598534 UPMYXPMOBHFTCF-UHFFFAOYSA-N 257.742 3.561 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccnn2C(C)C)c1C 794943386 YGJDJMFOASIOGU-CMDGGOBGSA-N 268.360 3.977 30 20 CHED C=CCN(Cc1cc(F)ccc1Br)C(C)C 729473874 WXVQDVQCVXVJDD-UHFFFAOYSA-N 286.188 3.985 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)C[C@H](CC#N)c1ccccc1 796829686 MZLYTFRKMNVHTH-LSDHHAIUSA-N 284.359 3.555 30 20 CHED C[C@H](C#N)OCCNc1cccc(-c2ccccc2)c1 689675027 XLBAMGYJLOCSGW-CQSZACIVSA-N 266.344 3.694 30 20 CHED C=CCCCCN1CCO[C@@H](c2cccc(F)c2)C1 649281333 QSFOXOUXTRNQDQ-MRXNPFEDSA-N 263.356 3.555 30 20 CHED CC(C)c1c(Cl)ncnc1NN=Cc1ccccc1F 797405385 UJIIELMHPIIDEZ-UHFFFAOYSA-N 292.745 3.839 30 20 CHED N#Cc1ccccc1CN1CCCc2ccccc2C1 62944636 CHVDFSBQHUGHPL-UHFFFAOYSA-N 262.356 3.507 30 20 CHED C#CCCCN[C@H](C)c1cc(Br)cs1 194061370 JOSNVCRCHAJULS-SECBINFHSA-N 272.211 3.575 30 20 CHED Cc1ccc(C=NNc2cccc(F)c2[N+](=O)[O-])c(C)c1 790308883 RNTDIJYVKJSJJY-UHFFFAOYSA-N 287.294 3.797 30 20 CHED CC(C)c1nnc(S)n1N=Cc1ccc(C(F)F)cc1 794474005 GRZGGQQRLBWMSN-UHFFFAOYSA-N 296.346 3.510 30 20 CHED C[C@H](SCC1(C#N)CC1)[C@@H](C)SCC1(C#N)CC1 790284249 WGJFLGUJXAKHRJ-TXEJJXNPSA-N 280.462 3.837 30 20 CHED Cc1cc(NC2CC3(CCC3)C2)c(C#N)cc1[N+](=O)[O-] 593516768 QXUZQOLSQTWHDN-UHFFFAOYSA-N 271.320 3.520 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)Cc1cccc(F)c1 695728965 FVRRPHCFFQXHAY-UHFFFAOYSA-N 288.709 3.532 30 20 CHED Cc1cc(C(=O)OCCC(C)(C)C#N)nc2ccccc12 1319844727 QIMWEJRQBHJCNR-UHFFFAOYSA-N 282.343 3.640 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)CC#Cc1ccccc1 1319654613 JLWUPWUWOWZMIY-LJQANCHMSA-N 289.378 3.540 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](c1ccccc1)C1CCC1 1319459708 NVNCNDZJTJGLLW-GOSISDBHSA-N 296.414 3.583 30 20 CHED N#Cc1cccc(NC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1 1310076617 NNIFKTXHZWNERB-GDBMZVCRSA-N 283.375 3.506 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc(C2CCOCC2)o1 1325831545 CQJPEZIQYDHQOZ-OAHLLOKOSA-N 284.359 3.672 30 20 CHED N#Cc1cccc(NCc2cc3ccc(F)cc3nc2O)c1 1178310972 QRVFLASSNHLQOL-UHFFFAOYSA-N 293.301 3.563 30 20 CHED CC[C@H](NCc1cc(C#N)cs1)c1ccc(F)cc1 1320171960 OLQKIWMYOHWRRQ-HNNXBMFYSA-N 274.364 4.000 30 20 CHED CC[C@@H]1CCC[C@@H](CNCc2cccc(OCC#N)c2)C1 1323785787 NTNHBVYHTSPARX-HZPDHXFCSA-N 286.419 3.895 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1F)c1cccc(F)c1F 1185856577 BWQURARRTBYNHF-MRVPVSSYSA-N 277.249 3.544 30 20 CHED C=CCCOCC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1322352686 UXOXJHBQKSWLPN-MRXNPFEDSA-N 293.382 3.622 30 20 CHED Cc1cc(C=NNc2c(C)cccc2C(C)C)ncn1 1324430036 IVDGTWREVRAJQD-UHFFFAOYSA-N 268.364 3.663 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC(Cc2ccc(C)cc2)CC1 1257450461 ZENQFNSBXHIJPI-IBGZPJMESA-N 298.430 3.716 30 20 CHED C=C[C@H](CC(=O)N(CC(F)F)C1CCC1)c1ccccc1 1334280248 INEJCXKFEGTVFR-CYBMUJFWSA-N 293.357 3.993 30 20 CHED CS[C@H]1CCC[C@H](Nc2cccc(OCC#N)c2)C1 1333705127 CJXVZPOBFCBECU-ZFWWWQNUSA-N 276.405 3.675 30 20 CHED CCCCCCCCC(=O)Nc1cccc(CO)c1 103321268 UTZILPBKIURTSX-UHFFFAOYSA-N 263.381 3.868 30 20 CHED CCCC(CCC)C(=O)O[C@@H](CC#N)c1ccco1 1344938006 UWAIBSILZZJRDI-AWEZNQCLSA-N 263.337 3.994 30 20 CHED CCc1cccc2c1N(Cc1ccc(CC#N)cc1)CC2 1191862201 RSSDJVLEWRJLMG-UHFFFAOYSA-N 276.383 3.878 30 20 CHED C=C(CC)C(=O)Nc1ccc(N2CCCCC2)cc1 1345490769 GSEAMJZSWYNFBV-UHFFFAOYSA-N 258.365 3.582 30 20 CHED C=C[C@H](COC)N[C@H](C)CC(C)(C)c1ccccc1 1342744303 JSSYVGKDJZVRHR-GDBMZVCRSA-N 261.409 3.533 30 20 CHED Cc1ccc([C@H](C)c2nnc(-c3ccc(C#N)cc3)o2)o1 1346601338 OGPINQUEUCZXSF-NSHDSACASA-N 279.299 3.662 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)O[C@H](CC#N)c1ccco1 1263661105 ZQVUAIRJOXFEBI-MBNYWOFBSA-N 261.321 3.604 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1cccc(C#N)c1 1349703790 LGTQWDGBOSHGNT-CQSZACIVSA-N 278.355 3.684 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCCc2ccccc21 1355813677 PZIPFQFFVBJXIJ-UHFFFAOYSA-N 290.366 3.850 30 20 CHED O=C(CC#Cc1ccccc1)OC[C@@H]1CCCCC1(F)F 1350030141 YBMPIQQEXALIQF-HNNXBMFYSA-N 292.325 3.797 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1cccc(CC#N)c1 1458360715 VQUWMOIRJHEVBG-QGZVFWFLSA-N 284.403 3.793 30 20 CHED C[C@@H]1CCC[C@H](C(=O)O[C@H](CC#N)c2ccco2)C1 1526993583 UKQXUSUOUYTEIW-MBNYWOFBSA-N 261.321 3.604 30 20 CHED CC(C)Oc1ccc(NC(=O)c2csc(C#N)c2)cc1 1525606870 UBQXBXYFHXUFMK-UHFFFAOYSA-N 286.356 3.659 30 20 CHED C=C(CC)C(=O)Nc1cnn(-c2ccccc2)c1CCC 1521317100 KUZSKZHOUYOVLU-UHFFFAOYSA-N 283.375 3.730 30 20 CHED CSc1cc(F)ccc1NC(=O)c1ccc(C#N)cc1 1461124688 BOWQMSRMINSOHK-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C=CCC[C@H](NCc1c[nH]c(C(=O)O)c1)c1ccccc1 1602857679 UXFYOMKFPJRRIF-HNNXBMFYSA-N 284.359 3.510 30 20 CHED Cc1cc(C#N)nc(Nc2ccc(CCC(C)C)cc2)n1 1611893262 XQNHTFHSFOLJCK-UHFFFAOYSA-N 280.375 3.989 30 20 CHED CCC(C)(C)CCN1CCN(c2ccsc2C#N)CC1 1620417187 MIKTZLFXQMIMBZ-UHFFFAOYSA-N 291.464 3.568 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccccc1CC#N 1629156085 VJSIUJQJLXFRPQ-LSDHHAIUSA-N 284.403 3.699 30 20 CHED C[C@H]1CC[C@@H](C)C[C@H]1NCCc1ccc(C#N)cc1 1560927830 CCORTIDYWCYGFT-JKIFEVAISA-N 256.393 3.515 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)CC1(CC#N)CC1 1644710123 FZFCMNUCQVBTAC-KRWDZBQOSA-N 270.420 3.942 30 20 CHED N#Cc1c(Cn2cnc(-c3ccccc3)c2)cn2ccccc12 1656875175 RWCAOHHOAJGALY-UHFFFAOYSA-N 298.349 3.723 30 20 CHED CCC[C@@H](NCCc1ccc(C#N)cc1)[C@@H]1CC1(C)C 1658538052 SXHJZEGFPQNDGG-DLBZAZTESA-N 270.420 3.905 30 20 CHED C#C[C@@H](NCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1 1588378520 ZIXYTUOOWIGIBW-MRXNPFEDSA-N 299.757 3.502 30 20 CHED CCCCN1CCc2ccc(Nc3ncccc3C#N)cc21 1651641773 RXOFVDJZJDBCBV-UHFFFAOYSA-N 292.386 3.859 30 20 CHED CCCCCCCC(=O)Oc1ccc(CC(=O)O)cc1F 1595704860 KINGSLFYBWHNTI-UHFFFAOYSA-N 296.338 3.719 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(C)[C@H](C)CCC 1593873081 QGLPHXMSMLFJCQ-LLVKDONJSA-N 282.819 3.533 30 20 CHED C#CC1CCN(Cc2ccsc2C(F)(F)F)CC1 862400056 LITCNORGELTZRK-UHFFFAOYSA-N 273.323 3.612 30 20 CHED C[C@H]1C/C(=C\c2cncc(C(=O)O)c2)C(=O)c2ccccc21 1776589633 PTTRBYLVVBKKFW-DELQEKLWSA-N 293.322 3.553 30 20 CHED Cc1ccc(C)c(C=NNc2cccc(C(=O)O)c2C)c1 1776086474 WJOSWOSWXOOWPK-UHFFFAOYSA-N 282.343 3.756 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)c1csc(C)c1 1776075457 JFZCBKVQLLRLDA-UHFFFAOYSA-N 292.335 3.730 30 20 CHED C[C@H]1CC(=NNc2ccc(F)c(C(=O)O)c2)C[C@H](C)C1 1776062233 KMZXGTYORHCAJG-NXEZZACHSA-N 278.327 3.748 30 20 CHED C=CC[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 134715763 FPQKHYARTUFRSJ-MRVPVSSYSA-N 274.242 3.990 30 20 CHED C#CCCCNc1ccc(Br)c(C)c1 161048646 MBXOCTWJCWLAPA-UHFFFAOYSA-N 252.155 3.583 30 20 CHED N#CCCCCNCc1ccc(Cl)c(Cl)c1 163861471 IKFGBSXNUFZURU-UHFFFAOYSA-N 257.164 3.777 30 20 CHED CCc1cccc(CC)c1NC(=O)N[C@H](CC)CC#N 155528127 OEGKKNKGKAEHIO-CQSZACIVSA-N 273.380 3.625 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(C)C2(C#N)CCC2)cc1 157033861 JRSLYARHNLHTDY-AWEZNQCLSA-N 284.403 3.647 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 908684382 KIMOSSJZJNFMCB-UHFFFAOYSA-N 281.739 3.579 30 20 CHED C#CCCOC(=O)N[C@@H](CC)c1ccc(Cl)cc1 858888024 DCLUVKDPMVCRIT-ZDUSSCGKSA-N 265.740 3.541 30 20 CHED N#Cc1ccc(NCCc2ccc(Cl)cc2Cl)nc1 19805152 VCRSHHXNRVZFBL-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CC(C)[C@@H](C)N(C)c1nc(C(C)(C)C)ccc1C#N 1162285275 IHCSULHMAWYAIN-GFCCVEGCSA-N 259.397 3.731 30 20 CHED Cc1cc(OCc2ccc(C#N)cc2F)ccc1F 158878192 CDNQUSMRYBLBKZ-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC(=O)c1ccccc1OCc1ccc(C#N)cc1Cl 163120810 XLYKOYPWSVBBRG-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CCCCCC[C@@H](C)NC(=O)C1(C#N)CCCCC1 44386760 OTAPKUTZWCXAFU-CQSZACIVSA-N 264.413 3.936 30 20 CHED CC[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N 47873433 LHNJQHDFWRAADQ-RISCZKNCSA-N 273.336 3.847 30 20 CHED N#Cc1cc(Cl)ccc1NCc1noc2c1CCCC2 288300411 SLUGOBACPWKRIU-UHFFFAOYSA-N 287.750 3.691 30 20 CHED C=CCCCCN1CCC([C@@H]2CCCCO2)CC1 661863319 MPVBXGNULMKATG-INIZCTEOSA-N 251.414 3.624 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC(C(F)F)CC1 307881795 KVKBTYMNUATIOQ-UHFFFAOYSA-N 270.710 3.693 30 20 CHED CCc1cc(Oc2cc(C#N)nc(C)n2)ccc1Cl 308275143 ATTXPALBNZVWFK-UHFFFAOYSA-N 273.723 3.665 30 20 CHED C=CCC[C@H](C)N[C@H]1CCN(Cc2ccccc2)[C@H]1C 309653941 AYNLFHWZDKJWOK-BQFCYCMXSA-N 272.436 3.594 30 20 CHED C=CCC(C)(C)CNCc1ccccc1OC(F)F 311814981 DCQLXXHUEWLFFZ-UHFFFAOYSA-N 269.335 3.980 30 20 CHED CS[C@@H]1CCCCN(c2nc(C)c(C#N)cc2Cl)C1 360083451 PWERXHIWHLLHRA-GFCCVEGCSA-N 295.839 3.637 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 378847414 TXYJAVNMRCWVGB-JKSUJKDBSA-N 254.377 3.569 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1F)C1CCC1 385192012 OPOWSTBKISBABY-UHFFFAOYSA-N 260.356 3.613 30 20 CHED C[C@H](SC1CCCCC1)C(=O)NC1(C#N)CCCCC1 7091569 BORUJNWXRHIAMV-ZDUSSCGKSA-N 294.464 3.783 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cccc(F)c2)no1 109606031 VJGJOCYZTDWJDR-JTQLQIEISA-N 262.284 3.529 30 20 CHED C=C(Cl)CSc1nnc(NCc2ccccc2)s1 8192784 CIQUAQHEWRAUCV-UHFFFAOYSA-N 297.836 3.995 30 20 CHED CCCOc1cccc(C(=O)Nc2cccc(C#N)c2)c1 8565735 LZCLBYIKTMEGJA-UHFFFAOYSA-N 280.327 3.599 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(OCCC)c1 104994506 FJAAGOGJWSFAKZ-UHFFFAOYSA-N 276.380 3.905 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)C(=O)c1sccc1C#N 52029446 LBMTYLRDKWCCJR-SNVBAGLBSA-N 288.347 3.592 30 20 CHED N#CCCCC[S@](=O)c1ccc2ccccc2c1 108004614 XHEDWPTYQKMUPL-GOSISDBHSA-N 257.358 3.641 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)C1(C#N)CCCC1 115119129 SZFYJSVUSSQRIG-AWEZNQCLSA-N 276.424 3.936 30 20 CHED CC(C)[C@H](CC(=O)N(C)[C@H](C)CC#N)c1ccccc1 103441062 XSTOROWIJNZXFD-ZBFHGGJFSA-N 272.392 3.577 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1F 307964451 PXXCYKUWWALUDU-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CN(C(=O)C[C@H]1CCc2ccccc21)c1cccc(C#N)c1 115211978 VEUVVBVAHLGUKO-MRXNPFEDSA-N 290.366 3.641 30 20 CHED C#CCCCCC(=O)Nc1ccc(CSC)cc1 119790657 GPOWWBUNMBTPPO-UHFFFAOYSA-N 261.390 3.682 30 20 CHED N#CCCCN1CCCSc2ccc(Cl)cc21 175963148 MAVIDZNEJMEACY-UHFFFAOYSA-N 266.797 3.946 30 20 CHED C=CCc1ccccc1OCc1cccc(NC(C)=O)c1 101540267 NGFCMJPCVWPNON-UHFFFAOYSA-N 281.355 3.953 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](Cc1ccccc1)C(C)C 119144019 LXHZRJBKZDBPEG-RDJZCZTQSA-N 286.419 3.509 30 20 CHED C=CCCCSCC(=O)Nc1ccccc1Cl 117944773 OHHXLBOXGGWDQC-UHFFFAOYSA-N 269.797 3.978 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 119518662 NSURILNHJAKEAY-GOSISDBHSA-N 299.414 3.942 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1F 421363633 LVPNPWKRBAJGOO-IJEWVQPXSA-N 272.367 3.756 30 20 CHED C=C(C)CN[C@@H](CC)c1ccccc1OC(F)F 119518313 KCTSGAALYOQJLO-LBPRGKRZSA-N 255.308 3.905 30 20 CHED C#CCCCNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 173151700 ZSHPVUWRGZYMLY-UHFFFAOYSA-N 299.374 3.660 30 20 CHED CCC(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 175818525 CDXPPNQIIDNHNN-UHFFFAOYSA-N 267.284 3.666 30 20 CHED CCOc1ccc([C@H](C)Nc2cccc(C#N)n2)cc1OC 301251001 BLAQRVXXCALKSZ-LBPRGKRZSA-N 297.358 3.534 30 20 CHED C=CCOc1ccc(OC(=O)OC(C)(C)C)cc1 173915687 ZIOOLJPZFKJXEP-UHFFFAOYSA-N 250.294 3.565 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(F)c1)CC2 404743870 DDVYTFJJLVQUOS-GOSISDBHSA-N 280.346 3.783 30 20 CHED C[C@@H]1CCCCN1CCCCNc1ccc(F)cc1C#N 301370377 PEAHKWZFHHZVQT-CQSZACIVSA-N 289.398 3.764 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)c2ccccc2)cc1 113312733 SGDNPOMDRFSPSR-INIZCTEOSA-N 279.383 3.940 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2scnc2c1 171541917 YQJWLHGUMOEOKH-UHFFFAOYSA-N 275.377 3.726 30 20 CHED C#CCCCNC(=O)CCC(=O)c1ccc(CCCC)cc1 172942743 BYZZFAGUMCRZGL-UHFFFAOYSA-N 299.414 3.522 30 20 CHED C[C@@H](C#N)N[C@@H](CCc1ccccc1)c1ccccc1 128939626 BAVPHNIWUOYHFB-YJBOKZPZSA-N 264.372 3.862 30 20 CHED Cc1ccccc1[C@@H]1CN(Cc2ccc(C#N)s2)CCO1 127508186 AUQKEQNTPOTDLE-KRWDZBQOSA-N 298.411 3.502 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Cc1ccc(Cl)cc1 125744053 MIKBTTHBNZBEKK-MLGOLLRUSA-N 292.810 3.573 30 20 CHED C=CC[C@@H](C)NC(=O)C(C)(C)c1cccc(Cl)c1F 185446635 MPHZPFGCNQSZKX-SNVBAGLBSA-N 283.774 3.838 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)Nc1ccc(C#N)cc1 354761879 KYGFFVQAEVVEOB-TYNCELHUSA-N 271.364 3.504 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](Nc2ccccc2)C1 186287017 NUVQALGIUNXQRR-LJQANCHMSA-N 291.398 3.553 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccccc2)c1 127495977 HDTCLXFUVZDBLN-SFHVURJKSA-N 294.354 3.901 30 20 CHED C=CCCCN[C@H](C)c1ncc(-c2ccccc2)o1 184895460 MINFCGOXWKPCRT-CYBMUJFWSA-N 256.349 3.958 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1C[C@@]12CCc1ccccc12 182591225 XPEGQARQWQZHJX-POZUXBRTSA-N 283.415 3.752 30 20 CHED CCCCCCCC(=O)Nc1ccccc1C[S@](C)=O 185967860 GFUQTWHJRNIHEV-FQEVSTJZSA-N 295.448 3.864 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1)C(C)C 121275473 YXMIAGWPPRWDCA-INIZCTEOSA-N 274.408 3.991 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CC=CCC1)c1ccccc1 187180498 YLHFJJIZGRNRQE-RDJZCZTQSA-N 269.388 3.819 30 20 CHED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 235216826 LHRSVQJLWNCDHR-MRVPVSSYSA-N 263.753 3.841 30 20 CHED C[C@@H](CCC#N)N1CCC(Cc2ccc(F)cc2)CC1 411222007 GMDLXUHGOJQYAI-AWEZNQCLSA-N 274.383 3.772 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCC(=O)C[C@H]1C 127488107 JPKNPGOYMHIFIQ-TZMCWYRMSA-N 254.370 3.505 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](C)CC)c1 76831296 GBHVGRVXDJXRCW-CQSZACIVSA-N 281.355 3.840 30 20 CHED N#Cc1cc(F)ccc1CSCCC1CCOCC1 419394733 AILSKGPKWAHILP-UHFFFAOYSA-N 279.380 3.747 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H]1CCCOCC1 181780488 XNMNCFLRRJCBGG-MRXNPFEDSA-N 298.471 3.948 30 20 CHED C[C@@H](CNCC1(C#N)CCC1)c1cccc(Cl)c1 418137120 DDURZLIEOWTCMK-LBPRGKRZSA-N 262.784 3.727 30 20 CHED C=C(C)CCOc1cc(OC)ccc1Br 504960636 ACHRGXOOUXSTDA-UHFFFAOYSA-N 271.154 3.803 30 20 CHED CCCC1(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 416114491 YQFAYGREARBYSW-INIZCTEOSA-N 282.387 3.632 30 20 CHED N#Cc1ccc(OCCCO[C@@H]2CCCCO2)c(Cl)c1 185074299 SNMWGLGWYCFYTO-OAHLLOKOSA-N 295.766 3.524 30 20 CHED C=CCC[C@@H](O)CN[C@H](CC)c1cccc(Cl)c1 182598891 WZKNBTWXVRBTFD-HUUCEWRRSA-N 267.800 3.708 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 182802699 CTFQPRIEAQOOFZ-RYRKJORJSA-N 283.415 3.973 30 20 CHED CC#CCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 184987453 DCPBWZCXALYGIA-UHFFFAOYSA-N 286.158 3.831 30 20 CHED C[C@H](SCCC#N)c1ccc(OC(F)F)cc1 413011667 JLBQVDUDSXLDMA-VIFPVBQESA-N 257.305 3.996 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@H](C)c1ccncc1 131695609 IFHYSCSSKUSMMV-INIZCTEOSA-N 294.398 3.790 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc(O)c1)c1ccccc1 187273938 AEIJSEWMFRLPKY-MRXNPFEDSA-N 267.328 3.691 30 20 CHED CC(C)(C)c1cnc(CO/N=C/c2ccc(F)cc2)o1 130177294 VIOISYMYQNXUBE-QGMBQPNBSA-N 276.311 3.662 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1 410137040 MDPCOZMCNKUXQS-HNNXBMFYSA-N 297.402 3.574 30 20 CHED C=C(C)CN(CC)Cc1c(C)nn(-c2ccccc2)c1C 505863675 FRQCQXCQKBWBMU-UHFFFAOYSA-N 283.419 3.887 30 20 CHED Cc1ccc(F)cc1NC(=O)N(C)Cc1cccc(C#N)c1 43277233 UWBDVQROXWSWJF-UHFFFAOYSA-N 297.333 3.670 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 48346253 JKCYWIHHKHTDTH-GFCCVEGCSA-N 281.315 3.948 30 20 CHED Cc1nc2ccc(N=C(O)N3CC(C)(C)[C@@H]3C3CC3)cc2o1 329784145 PAJVDONDGOZFNS-HNNXBMFYSA-N 299.374 3.802 30 20 CHED CC(C)(CCC#N)CNCc1nc(C(F)(F)F)cs1 174422075 KKIYPEAYBLHJGR-UHFFFAOYSA-N 291.342 3.581 30 20 CHED CCCCCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 193058007 WFZNFKDUFWLCNV-UHFFFAOYSA-N 270.376 3.630 30 20 CHED C#Cc1cccc(NC(=O)NCCC2CCCCC2)c1 48476348 CZHJHPCREPDZHN-UHFFFAOYSA-N 270.376 3.760 30 20 CHED CCN(C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 503417176 DTAHZABPZUYGCX-FOLVSLTJSA-N 284.403 3.983 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2cc(F)cc(C)c2C1 501223704 HXMSGHKLAHTVDW-KRWDZBQOSA-N 275.367 3.621 30 20 CHED CC(C)c1ccc(CCN2CCC(C#N)CC2)cc1 137581828 LYMXLLDTQPUUDE-UHFFFAOYSA-N 256.393 3.588 30 20 CHED C=CCc1cccc(F)c1OCc1ccn(C(C)C)n1 424103430 QMADLISYSSPJDE-UHFFFAOYSA-N 274.339 3.911 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2CCCF)s1 421874870 IQIIQYGCCZCUEF-BXUZGUMPSA-N 266.385 3.628 30 20 CHED CCC1(CC)CCC(N/C(O)=N/[C@@H]2CCCOCC2)CC1 329921178 HLRRGRQARWKHJU-CQSZACIVSA-N 296.455 3.808 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc3ncsc3c2)c1 192665304 BUFROWRDOOPVFA-UHFFFAOYSA-N 293.351 3.615 30 20 CHED N#Cc1cnc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c(Cl)c1 513604070 TVAQBQREVJEKIE-DGMCESFYSA-N 287.794 3.843 30 20 CHED CC(C)C[C@@H]1C[C@H](/N=C(/O)[C@@H]2CCC(=O)[C@@H](C)C2)CCO1 329253132 YXRLMDPXKWZBOW-GBJTYRQASA-N 295.423 3.542 30 20 CHED CC[C@@H](C)n1ncc(NCc2ccc(C#N)c(F)c2)c1C 421406041 ZUGZKDNPIIYIQO-LLVKDONJSA-N 286.354 3.785 30 20 CHED C=C(C)CN1CCC(NCC[C@@H](C)c2ccccc2)CC1 194383975 NSGRNRUAQVBZNH-QGZVFWFLSA-N 286.463 3.810 30 20 CHED CCC(CC)N(CC)C(=O)Nc1ccc(C#N)cc1 289777333 OHOOZXYOSPKGLY-UHFFFAOYSA-N 259.353 3.601 30 20 CHED C=CCN(CC=C)C(=O)CCC(C)(C)c1ccccc1 513806071 CGSCBHMTGRZJQE-UHFFFAOYSA-N 271.404 3.945 30 20 CHED CC[C@@H](C#N)OC(=O)CCc1ccc(C(C)C)cc1 84712549 PKZJDFGUNGMJET-HNNXBMFYSA-N 259.349 3.588 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](CC)CC(F)(F)F 424889972 XTFPABSUDSZPNW-JTQLQIEISA-N 265.319 3.684 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(CC#N)cc2)c(C)c1 48463150 LSTSXBONHGOGNZ-UHFFFAOYSA-N 278.355 3.930 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C(C2CCC2)C2CCC2)C1 329117620 UQPFONWSKXWBLJ-GWCFXTLKSA-N 278.396 3.667 30 20 CHED C[C@H]1CC(=O)CC[C@H]1C(O)=Nc1scnc1C1CC1 329027259 OMEAXLCTYMOWQQ-GZMMTYOYSA-N 278.377 3.614 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)o1 83982115 IBFGDEADZFANTQ-ZZXKWVIFSA-N 268.312 3.673 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc(C#N)cs2)c1 84114078 IHKABIWEDLFRTN-CYBMUJFWSA-N 298.411 3.598 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCCC1(O)CCC1 421859645 QZHYDICSVCYHHN-SFHVURJKSA-N 298.430 3.611 30 20 CHED C[C@@H]1SCCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H]1C 613426443 HLUBOMYRHMVBCD-NEPJUHHUSA-N 289.448 3.581 30 20 CHED N#Cc1c(NC(=O)C=C2CCC2)sc2c1CCCC2 87032422 QOMKZVFYPPMFOT-UHFFFAOYSA-N 272.373 3.547 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(c3ccccc3)CC2)C1 334388562 QUUKYYYYHGFWIU-PBHICJAKSA-N 254.377 3.558 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccsc2Cl)no1 335184494 CLKQNAXELRLNIK-NSHDSACASA-N 267.741 3.643 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)CCCO2 335020469 BHWMVFZWXQUQCN-MRXNPFEDSA-N 298.411 3.932 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc(Cl)cc(Cl)c1 339162890 ATIPOMUHJPZLBT-LBPRGKRZSA-N 285.174 3.758 30 20 CHED CC(C)(CNc1cccc(F)c1C#N)Oc1ccccc1 513754557 KQVZAUBDXOETRM-UHFFFAOYSA-N 284.334 3.967 30 20 CHED N#Cc1csc(CN2CC[C@H](c3cccc(F)c3)C2)c1 513492251 YXJQXSSSXXMYAY-AWEZNQCLSA-N 286.375 3.748 30 20 CHED CC(C)(C)C1CC(C(=O)NCC2CCC(C#N)CC2)C1 332460622 IYFCVRKDXBTNHZ-UHFFFAOYSA-N 276.424 3.505 30 20 CHED N#Cc1cnc2ccccc2c1NCCc1cccc(F)c1 97393471 BGHLOLASJBWBHQ-UHFFFAOYSA-N 291.329 3.900 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 332310426 XFPVCDNFDKKKPC-XKQJLSEDSA-N 297.402 3.909 30 20 CHED Cc1nsc(Oc2ccc(C#N)c3ccccc23)n1 338830464 YWXABHXHWMXGDF-UHFFFAOYSA-N 267.313 3.664 30 20 CHED CC1CCC(c2noc(Cc3ccc(C#N)cc3)n2)CC1 230997667 ONSHTGPKMMARIY-UHFFFAOYSA-N 281.359 3.826 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@]12CCC[C@@H]1C2 421443599 GKONOPYNRVHEKO-PBHICJAKSA-N 273.351 3.531 30 20 CHED C=CC[C@H](C)NC(=O)CCCCC(=O)c1ccc(F)cc1 427453149 XVTAHMDNVBVQCR-ZDUSSCGKSA-N 291.366 3.650 30 20 CHED Cc1c(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)ccc(C#N)c1C#N 421553744 FGDBLANDVZFHSF-SGMGOOAPSA-N 295.386 3.749 30 20 CHED Cc1c(C(=O)N2CCC(CC#N)CC2)oc2c(C)cccc12 336234052 AEEGMZCJITZQNK-UHFFFAOYSA-N 296.370 3.816 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1cc(F)ccc1F 330768333 XXZCKATYPGRQKH-AWEZNQCLSA-N 266.291 3.598 30 20 CHED Cc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)c2ccccc2c1 334647999 ZTNBWRRCELEOBO-PXAZEXFGSA-N 264.328 3.637 30 20 CHED CCC[C@@H](C)N(C)C(O)=Nc1cccnc1OC(C)C 330422774 SQTPJXNNASHWHQ-GFCCVEGCSA-N 279.384 3.535 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CCCSC1 513171859 PHJQDPFRIRJGLP-AWEZNQCLSA-N 284.469 3.517 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1cccc(Cl)c1 330765768 UBMBFJZUJHKDBH-CQSZACIVSA-N 264.756 3.973 30 20 CHED CN(Cc1cccc2ccccc12)c1cc(C#N)ccn1 339968603 DFWDCERJHFILGJ-UHFFFAOYSA-N 273.339 3.743 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H](C)S1 162911405 LAPBTZCORBAHMR-PHIMTYICSA-N 280.824 3.537 30 20 CHED CC(C)(CCC#N)CNC(=O)C[C@@H]1C[C@H]1c1ccccc1 345990512 JFWRRLOWWMFSEQ-HOTGVXAUSA-N 284.403 3.626 30 20 CHED C[C@@H]1C[C@H]1[C@@H](NCCCC#N)c1ccc(Cl)cc1 245888636 LUZCTYWFSTXKEO-DFBGVHRSSA-N 262.784 3.930 30 20 CHED Cc1cccc(CN(Cc2ccco2)CC2(C#N)CC2)c1 347448852 AMPFNXVIISKRQX-UHFFFAOYSA-N 280.371 3.894 30 20 CHED C=CCN(CCC#N)Cc1c(C)oc2ccccc12 430085369 MMGXNOTZFFKCPH-UHFFFAOYSA-N 254.333 3.643 30 20 CHED C=C(CNC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 345746774 ONXFBHKPQRQWIC-UHFFFAOYSA-N 276.339 3.611 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1nc(C2CC2)cs1 432635583 WPRHYQOENHFSMC-UHFFFAOYSA-N 279.409 3.744 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@]12CCCc1ccccc12)C(C)(C)C#N 245557011 SHGJKPDBEMSAJW-AXHNFQJDSA-N 297.398 3.762 30 20 CHED C=C(CNCc1cccc(OC)c1OC)c1ccccc1 340436988 KFRATAKXNOTLAE-UHFFFAOYSA-N 283.371 3.507 30 20 CHED CCc1ccc([C@H](C)C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1 609735686 PLGBNLIAPMEWKT-DOXZYTNZSA-N 298.430 3.941 30 20 CHED Cc1c(NCC(C)(C)CCC#N)cnn1CC(C)C 341396411 ZPUOGLRZNZVNLU-UHFFFAOYSA-N 262.401 3.589 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N(C)CC1(CC#N)CC1 602758020 FDQSIOSCQAMCFE-LLVKDONJSA-N 264.319 3.651 30 20 CHED CC(C)CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438633974 DGMGPHLQUMXRJG-UHFFFAOYSA-N 299.296 3.745 30 20 CHED CC1(C)CCCN(C(=O)/C=C\c2ccccc2C#N)CC1 255518689 MLMLVSHEITZMBU-HJWRWDBZSA-N 282.387 3.610 30 20 CHED CCc1ccc(CCN(C#N)c2ccc(F)c(C#N)c2)cc1 438299407 ODTPSZSTKGRSAM-UHFFFAOYSA-N 293.345 3.790 30 20 CHED Cc1cccc2c1CCCN2C(=O)c1cccc(CC#N)c1 609621594 NYPLXFIDRYIULX-UHFFFAOYSA-N 290.366 3.654 30 20 CHED CC1=CCCN(c2c(C#N)cnc3c(C)cc(C)cc23)C1 435587278 FZFAQBBWXPTWKP-UHFFFAOYSA-N 277.371 3.880 30 20 CHED CC#CCCNC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 430260568 SWGMHQIXEPYZQT-SNVBAGLBSA-N 299.201 3.767 30 20 CHED COc1ccc(OC)c(C=NOCc2cccc(C)c2)c1 255277184 OFYTZSGPELTZCW-UHFFFAOYSA-N 285.343 3.563 30 20 CHED CC(C)(C)CNc1ccc2c(c1)CCC(=O)N2CCCC#N 345418236 CGSAKIWIOSEIJV-UHFFFAOYSA-N 299.418 3.728 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CCCC1(C)C 602678008 ZIVGGCGQHVNRHO-HUUCEWRRSA-N 278.440 3.501 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc1 255658682 HFOSACGHLCFZGP-JYRVWZFOSA-N 295.382 3.795 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1c(F)cccc1Cl 528766726 ITCQVLOVOWTUSE-JTQLQIEISA-N 296.773 3.986 30 20 CHED Cc1nc(C)c(C#N)c(SC[C@@H](C)CC(C)C)n1 347747527 XEUWJFGWKPOHGC-JTQLQIEISA-N 263.410 3.739 30 20 CHED Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C)c(C#N)c1C 340722819 YSUPDMWBRFSILQ-BXKDBHETSA-N 274.389 3.777 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 602283238 VGEYYGYYVKXNRK-YESZJQIVSA-N 296.414 3.551 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(F)c3)[nH]c12 345389893 BQEGEZFALIPMLJ-ZDUSSCGKSA-N 293.301 3.501 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)NCCCC(C)C 352395026 YNGJUMBGIDXQGX-UHFFFAOYSA-N 289.379 3.515 30 20 CHED O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 255294227 NUXDRPSLPWWGQW-RJRFIUFISA-N 288.690 3.539 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)n2)[C@H](c2ccco2)C1 602482713 QCBHJYNAAAUQHC-CJNGLKHVSA-N 281.359 3.519 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 352944412 XSWDHKFYGLBDLD-VGWMRTNUSA-N 288.435 3.744 30 20 CHED CC(C)COc1cccc(CNC[C@H](C)CCC#N)c1 602521192 KPVXFLOFDGOKHY-OAHLLOKOSA-N 274.408 3.751 30 20 CHED CC1(C)CCCN(Cc2cccc(OC(F)F)c2)[C@@H]1C#N 444720995 UYMKSGISBIVTHW-CQSZACIVSA-N 294.345 3.802 30 20 CHED C=C(C)CCNC1CCN([C@H]2CCCC[C@@H]2C)CC1 449471326 CBVATTFHMOUHLR-RDJZCZTQSA-N 264.457 3.585 30 20 CHED CC(C)=CCS[C@H](C)C(=O)Nc1ccccc1C#N 446117505 QNUXGEGESDPFJH-GFCCVEGCSA-N 274.389 3.585 30 20 CHED CCc1ccc(-c2nc(CN[C@@H](C)CC#N)cs2)cc1 602864339 RDHQNRKKBXWXIU-LBPRGKRZSA-N 285.416 3.764 30 20 CHED C[C@@H]1CCc2c(sc3ncnc(N[C@H](C)CC#N)c23)C1 604564611 SYLHHNXKWWNPBY-NXEZZACHSA-N 286.404 3.530 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(CC1CC1)C1CCC1 359106500 HERBRZZALDKNQT-UHFFFAOYSA-N 286.423 3.501 30 20 CHED N#Cc1ccccc1CSCCNC[C@@H]1CC=CCC1 351484101 QKEUCXYPVWISIA-OAHLLOKOSA-N 286.444 3.737 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1(c2ccccc2F)CC1 538369812 NWDPESZQSCEVDH-ZDUSSCGKSA-N 290.382 3.859 30 20 CHED CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(C#N)cs1 610489416 AGROMAWGAAZBAQ-HNNXBMFYSA-N 297.383 3.596 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCCCC(C)(C)C#N 445892022 YPSKRMAGOUPEAA-NSHDSACASA-N 264.335 3.883 30 20 CHED C=CCCC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 263657035 IQHRPJURBMFORG-SNVBAGLBSA-N 293.317 3.575 30 20 CHED N#CC1(F)CCN(CC2CCC(C(F)(F)F)CC2)CC1 352448443 HMSCEEOGQXWKGB-UHFFFAOYSA-N 292.320 3.683 30 20 CHED CC(C)c1ccc([C@H](C)NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1 448579639 DPVZGOZRBXNEDT-GDZNZVCISA-N 270.376 3.537 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(C)c2C)C1 617789782 TXMJVKZPXFQBEA-OAHLLOKOSA-N 257.377 3.732 30 20 CHED CCC(CC)(C(=O)N[C@H](C#N)CC(C)C)c1ccccc1 611251433 UEMDTPZICPSFFU-INIZCTEOSA-N 286.419 3.799 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](Nc1ccccc1)C(C)C 449220577 CZCPVBKTJFNELV-INIZCTEOSA-N 288.435 3.842 30 20 CHED CC[C@@H](C)c1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)on1 356491403 CLEIJMFKOWXXDU-VXGBXAGGSA-N 297.358 3.551 30 20 CHED CCCN(C(=O)[C@@H](C)C#N)[C@H](CC)c1ccccc1 531290864 XGNVHMJRQMBUKQ-DZGCQCFKSA-N 258.365 3.536 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnc2c(F)ccc(F)c2c1 352774110 VVMXAEKBJLYTAR-LLVKDONJSA-N 290.313 3.598 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCc3c(F)cccc32)CC1 354922579 BCNPVNMUYFJGNR-HNNXBMFYSA-N 273.351 3.676 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)CC[C@@H]1C 351158460 CAADREHNTWJKLU-MJBXVCDLSA-N 276.428 3.602 30 20 CHED C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 448774035 ZIWOQOWLLWLTEM-USXIJHARSA-N 284.403 3.578 30 20 CHED C=CCC1(NC(=O)c2ccc(N(C)C)cc2F)CCCC1 619108167 QBUQZJNPXBOBMH-UHFFFAOYSA-N 290.382 3.510 30 20 CHED C=C1CCN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)CC1 266292899 ANPMWKNFJPFPGP-AATRIKPKSA-N 290.432 3.632 30 20 CHED C=CCNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 363093897 NFUOHYLIQIRKPG-CYBMUJFWSA-N 298.308 3.738 30 20 CHED CC(=C/c1ccccc1)/C=C(/C)c1nc(C)c(C#N)c(O)n1 619095330 RGGJFERXTUHWHE-VHRXNPEUSA-N 291.354 3.869 30 20 CHED C=CCOCCCC(=O)N1CCCc2c(C)cc(C)cc21 361662623 UUYRSPKSSDQAMF-UHFFFAOYSA-N 287.403 3.565 30 20 CHED CC1(C)CCCN(CC2CCC(F)(F)CC2)[C@H]1C#N 459424184 LCBZAIUNPFLESH-ZDUSSCGKSA-N 270.367 3.826 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)c1 610366848 KXJZYDKZYJMRCD-MRXNPFEDSA-N 295.317 3.676 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCCCC1(F)F 450481559 BDXUXRHXGWLWPM-CQSZACIVSA-N 297.345 3.662 30 20 CHED C=C(C)Cn1c(N2CC[C@@H](C)[C@H](C)C2)nnc1C(C)(C)C 549260366 DEBYYQSBDYVWNI-ZIAGYGMSSA-N 290.455 3.634 30 20 CHED Cc1ccnc(N2C[C@@H](C)C[C@H]2c2cccc(F)c2)c1C#N 544146647 SMHXBSXRUXNTHN-SJCJKPOMSA-N 295.361 3.988 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccccc2C(F)(F)F)C1 274176165 DBHMTXICXDZCRB-AAEUAGOBSA-N 282.309 3.877 30 20 CHED C=C(C)CCNC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 455070216 YYIBRTXVTMTVIH-GFCCVEGCSA-N 290.411 3.819 30 20 CHED CCOCCCCN[C@@H]1CCCCc2cc(C#N)ccc21 360836029 MBYRMRZMUZYIKD-GOSISDBHSA-N 286.419 3.732 30 20 CHED CC1(C)CCCN(Cc2cccc3cccnc23)[C@@H]1C#N 277660829 DWEVYBNJGMOWBI-MRXNPFEDSA-N 279.387 3.749 30 20 CHED CC(C)c1ccc(CNC(=O)N(C)CC(C)(C)C#N)cc1 457946414 BDCWXNLKIBFRGL-UHFFFAOYSA-N 287.407 3.501 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](c1ccccc1)C(F)F 455621994 LHONWNKLLJLPPH-GFCCVEGCSA-N 282.334 3.504 30 20 CHED CCN(CC1(C#N)CCC1)[C@@H](C)c1ccc(F)cc1 450289361 UZOMPNROQOWFOG-ZDUSSCGKSA-N 260.356 3.902 30 20 CHED C=CCN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)C1CC1 545403872 DZDISRXMQHGCJX-NSHDSACASA-N 292.345 3.714 30 20 CHED Cc1ccc(OC(F)F)c([C@@H](C)NCCCC#N)c1 273170020 BPQSJEMHYPWGLL-LLVKDONJSA-N 268.307 3.551 30 20 CHED C=CCCc1noc(-c2csc(C(C)(C)C)n2)n1 453249451 TYUFCXPNYFCRCB-UHFFFAOYSA-N 263.366 3.609 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(C2CCC2)cc1 278476265 KAUPWWWWVYRYJF-UHFFFAOYSA-N 256.349 3.832 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cc(Cl)ccc1F 272367511 ASWDQSJQJLCBBE-AWEZNQCLSA-N 282.746 3.537 30 20 CHED C=CCN(Cc1ncc(-c2ccccc2F)o1)C1CC1 271387649 JGBZTYWNUDTDSY-UHFFFAOYSA-N 272.323 3.631 30 20 CHED CC#CCCCC(=O)N(CC)c1ccccc1Cl 274287909 MZYSZNZXKWRYMD-UHFFFAOYSA-N 263.768 3.887 30 20 CHED C=CCCC[C@H](C)N1Cc2ccc(O)cc2C2(CC2)C1 463428168 XJQJDTZUOYYOTN-AWEZNQCLSA-N 271.404 3.984 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 276022543 CJHKOFAJMKBDNY-UHFFFAOYSA-N 297.280 3.617 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 279712800 QEHSNQOHKNZNPP-MRXNPFEDSA-N 283.415 3.669 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)s1 547024890 JYYLTVSLJHKUKZ-UHFFFAOYSA-N 292.323 3.818 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 279925223 KRUMIQQPLBJWLR-DOTOQJQBSA-N 287.378 3.772 30 20 CHED C[C@H]1C[C@@H](C(=O)N(CC#N)c2ccccc2)CC[C@H]1C 460067192 QZXUAZBZHRUPSA-ILXRZTDVSA-N 270.376 3.615 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 540500246 QWKFCAPDUWBYSV-YESZJQIVSA-N 293.451 3.834 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC2(CCCC2)CC1 466378581 OVMJOFLAFQEVEQ-AWEZNQCLSA-N 264.413 3.707 30 20 CHED C=CCCC(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 628406179 DGWWWSYROKUTHQ-ZDUSSCGKSA-N 279.330 3.637 30 20 CHED C=CCOCCCC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 374841157 QFQVISHISNLHLO-QFQMRYFISA-N 299.414 3.674 30 20 CHED CC[C@@H]1CCCCCN1C(=O)[C@@H](C)c1cccc(C#N)c1 462206797 ISZOPLFTVRNRJM-WMLDXEAASA-N 284.403 3.843 30 20 CHED CC(C)(CC(=O)N[C@H](C#N)c1ccccc1Cl)C1CC1 556138987 PPWPPOYAIUEXSO-CQSZACIVSA-N 290.794 3.847 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@H]1c1cccs1 289429208 RQYBTKUCVUPWMM-INIZCTEOSA-N 295.407 3.636 30 20 CHED Cc1cc(N2CC[C@H](Cc3ccccc3)[C@H]2C)cc(C#N)n1 553154155 ASQLAXSUXSYLRI-NVXWUHKLSA-N 291.398 3.719 30 20 CHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1cc2ccccc2o1 282335171 OKPWAGVGGRQWBK-BZPMIXESSA-N 254.333 3.776 30 20 CHED C[C@@](C#N)(NC(=O)c1ccc(C2CC2)cn1)C1CCCCC1 555904928 RDJWHZIYQYWVJT-SFHVURJKSA-N 297.402 3.551 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1cccc(C(C)C)c1 477091566 RVXGXULTBUQKOI-CYBMUJFWSA-N 260.381 3.574 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CC(C)(C)C1CCCCC1 474894852 JVVFBLHCBBMYIN-CQSZACIVSA-N 278.440 3.991 30 20 CHED CCCc1nc(C)c(CNc2cccc(F)c2C#N)o1 292176044 FARPHJBSQAWSJQ-UHFFFAOYSA-N 273.311 3.558 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(C)ccc1Cl 806350872 DYJKHCKRSULCMU-LLVKDONJSA-N 264.756 3.572 30 20 CHED Cc1ccccc1C1(C(=O)Nc2cccc(C#N)c2)CCC1 472137156 VMEPMPLOKUNCSQ-UHFFFAOYSA-N 290.366 3.927 30 20 CHED C=CCC[C@H](O)CN(CCC)[C@H]1CCc2ccccc21 472760666 ZGNSONZYTTXZOH-WMZOPIPTSA-N 273.420 3.713 30 20 CHED Cc1ccc(CN(c2nc(Cl)c(C#N)s2)C2CC2)o1 804356649 MBTKUCUHZKMCPX-UHFFFAOYSA-N 293.779 3.739 30 20 CHED CCOc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1O 298374924 AQWBTPZMANJVTF-ZDUSSCGKSA-N 296.370 3.513 30 20 CHED Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCCC#N)cc1 291985119 VFOIAZDSNDKFMX-MAUKXSAKSA-N 284.403 3.989 30 20 CHED C=CCN(Cc1ccccc1)C[C@H]1COc2ccccc2O1 642524845 RQKLRSIECYZUCQ-KRWDZBQOSA-N 295.382 3.515 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc2c1ccn2C 562330466 UNNKQKKQWSZAAO-ZDUSSCGKSA-N 283.375 3.751 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCCOc1c(C)cccc1C 803783406 WSOVMHXNNCKHCA-KRWDZBQOSA-N 289.375 3.555 30 20 CHED CC(C)O[C@@H](Cn1ccc(C#N)c1)c1ccccc1 292132573 SNNNSBVTXOXOHF-INIZCTEOSA-N 254.333 3.526 30 20 CHED C[C@H](C#N)CNC(=O)NCc1ccc(C2CCCCC2)cc1 562665588 PANJCZMMQJTMMW-CQSZACIVSA-N 299.418 3.693 30 20 CHED CC1(C)CN(C(=O)Nc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 297601385 ZGPRRPPEMMAWQO-LSDHHAIUSA-N 283.375 3.601 30 20 CHED C=CC[C@H](C(=O)OCCCSCC#N)c1ccccc1 805533787 XEXAOQOQDZSBBI-HNNXBMFYSA-N 289.400 3.536 30 20 CHED C=CCCc1noc([C@H](C)OCc2ccc(F)cc2)n1 296230918 AJAQULJVMUWNMW-NSHDSACASA-N 276.311 3.605 30 20 CHED Cc1ccccc1/C=C1\C[C@@H](C(=O)O)c2ccccc2C1=O 806560404 LLUAYRCWJOLPST-IDKBZEPQSA-N 292.334 3.833 30 20 CHED C=C(C)[C@H](CC(=O)OCCc1ccccc1Cl)OCC 805516193 GWUPVNHEKPLTIU-HNNXBMFYSA-N 296.794 3.797 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](C)C[C@@H](C(=O)O)C1 398833420 IDWGQJOJVBDBFI-LSDHHAIUSA-N 297.439 3.696 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2ccc(Cl)cc2)c1 806558508 FBYNCQVNBBHSHJ-RMKNXTFCSA-N 286.714 3.934 30 20 CHED C=CCOCCCOc1ccc(-c2ccccc2)nc1 478789205 XOLZWWMAGGMEQA-UHFFFAOYSA-N 269.344 3.720 30 20 CHED C=CCCCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 471668104 INNGYAWLDTTYGC-LBPRGKRZSA-N 281.783 3.580 30 20 CHED CC[C@@](C)(C#N)C(=O)NC1CCC(C)(c2ccccc2)CC1 569994907 WOMQRMRFAQEQLR-AVAKVYKDSA-N 298.430 3.943 30 20 CHED CC(Cc1nc2ccccc2s1)=NOCCOC(C)C 812240190 JSXKJAYPAJDPGJ-UHFFFAOYSA-N 292.404 3.656 30 20 CHED CCCCCCCOC(=O)CCc1cncs1 814587729 YEUUIRDGRRLWHN-UHFFFAOYSA-N 255.383 3.589 30 20 CHED CC[C@H](C)Sc1ccc(NC(=O)NCCC#N)c(C)c1 488380951 RESWVTFQVOTXOM-LBPRGKRZSA-N 291.420 3.921 30 20 CHED C=CCCCCOC(=O)[C@H]1CCN(c2ccccc2F)C1 811013488 XGSOPVFRFJPYJD-AWEZNQCLSA-N 291.366 3.552 30 20 CHED Oc1c(Cl)cc(Cl)cc1C=NOC/C=C/Cl 811668336 DTXXOFCJUIJIQR-XOWKLHRESA-N 280.538 3.802 30 20 CHED N#CCCCOc1cccc(C=NOCCC2CC2)c1 814245897 MOAIPLHTOMJKGU-UHFFFAOYSA-N 272.348 3.520 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1oc(C(C)C)nc1C)OCC 813219717 JSFSHTNWPQAKJI-CYBMUJFWSA-N 295.379 3.521 30 20 CHED C[C@@H](C#N)CN(C)c1ccc2cc(F)cc(Cl)c2n1 570511514 UKEIWPSNDIAVNO-VIFPVBQESA-N 277.730 3.623 30 20 CHED C(=NNc1cccc2ccccc12)c1nccs1 814823477 ZVWPOMNATQWSSX-UHFFFAOYSA-N 253.330 3.742 30 20 CHED COc1ccc(CNN=C(C)Cc2ccc(F)cc2)cc1 814811106 PDZIEGFKMLCFLG-UHFFFAOYSA-N 286.350 3.543 30 20 CHED CC1(C#N)CN(C(=O)CCCc2ccc3ccccc3c2)C1 482628575 KXPMLMHPSAKCKC-UHFFFAOYSA-N 292.382 3.535 30 20 CHED N#Cc1c(F)cccc1/C=C1\Cc2c(F)cccc2C1=O 811689397 CAZGACNLRIBUCF-YRNVUSSQSA-N 281.261 3.659 30 20 CHED CC(=NNc1cc(C)ccc1C)c1csc(C)n1 812435414 ILXDEKGYEZUVLF-UHFFFAOYSA-N 259.378 3.904 30 20 CHED C#CCOc1ccccc1NCc1ccsc1C 815136380 YPLBAEKIUZNBLE-UHFFFAOYSA-N 257.358 3.681 30 20 CHED C=CCCCCOC(=O)c1ccc2nc(C)c(C)nc2c1 811013224 MOHQEZQZHDNNKV-UHFFFAOYSA-N 284.359 3.760 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(N2CCCCC2=O)cc1 810127416 ZOVWXKMYOFUNOS-HNNXBMFYSA-N 286.419 3.820 30 20 CHED C[C@@H]1CCc2sc(NC(=O)C3CC3)c(C#N)c2[C@@H]1C 575103740 QLAKIFFOSACXSB-RKDXNWHRSA-N 274.389 3.654 30 20 CHED N#Cc1nccc(SCc2ccccc2C2CC2)n1 577963900 RXNGKLAVSXHPDH-UHFFFAOYSA-N 267.357 3.518 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(C)C 700567941 WIBAWIQENOKKPE-SMDDNHRTSA-N 295.835 3.595 30 20 CHED N#CCCC1CCN(C(=O)[C@H]2CCCC[C@@H]2C2CC2)CC1 572244592 ABEPYQSJEWLNNN-SJORKVTESA-N 288.435 3.745 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cc(C(C)(C)C)on1 820873057 XHRZKOUXWDSHGP-UHFFFAOYSA-N 265.353 3.618 30 20 CHED N#CCCNCC1(c2ccc(Cl)cc2Cl)CCC1 570711248 QQARNJIOHHYYMJ-UHFFFAOYSA-N 283.202 3.918 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(Cl)c(Cl)c1 661801683 GVBAEEOSJRHFCM-UHFFFAOYSA-N 287.190 3.711 30 20 CHED C=CCN(CCCc1nc(-c2ccccc2)no1)C(C)(C)C 661755473 RNADQCWNWCTSOX-UHFFFAOYSA-N 299.418 3.956 30 20 CHED CC(C)(NCCOc1ccccc1C#N)c1ccc(F)cc1 728926567 SCMGHFVJJIBKDU-UHFFFAOYSA-N 298.361 3.601 30 20 CHED CC(C)c1scnc1C(=O)N[C@H](C)c1cccc(C#N)c1 589437719 CFMGSWPZJDVUFS-LLVKDONJSA-N 299.399 3.629 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 589345478 MAWFFPDPNOWEAG-LBPRGKRZSA-N 289.354 3.597 30 20 CHED C=CCC1(CN[C@@H]2CC[C@H](CC(=O)O)[C@H]2C)CCCC1 902267246 GCAKQMJXXNBJKM-RBSFLKMASA-N 279.424 3.602 30 20 CHED Cc1cccc2oc(C(=O)N3CCC[C@@H](CC#N)C3)cc12 824745702 DRIVXIHZRDYYLW-ZDUSSCGKSA-N 282.343 3.507 30 20 CHED C=CCC1(N[C@@H](CC)Cc2cccs2)CCOCC1 668551882 ZGBAXQJQLJIINL-AWEZNQCLSA-N 279.449 3.784 30 20 CHED C=CCCCCN(C)C1CCN(C(=O)OC(C)(C)C)CC1 827974269 WDISJAANVMSVER-UHFFFAOYSA-N 296.455 3.674 30 20 CHED C#CC(C)(C)NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 733976825 YMPACKVLBVNART-UHFFFAOYSA-N 295.169 3.616 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc3ccn(C)c23)C1 666857212 OVISNKXRLNMXDT-CQSZACIVSA-N 297.402 3.998 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)CCCCCC#N 588165436 PCTSVIFSGARKSC-AWEZNQCLSA-N 264.413 3.936 30 20 CHED N#C[C@H](C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1ccc2ccccc2n1 835041033 IPSGWPASIPSZSI-UGUYLWEFSA-N 290.366 3.847 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(C(=O)O)cc2)c1 830099896 QRLPYIDYWMINOR-WDZFZDKYSA-N 296.322 3.680 30 20 CHED C[C@H]1CN(C)c2ccccc2N(Cc2cccc(C#N)c2)C1 581461445 PSFDNVHARMMDCU-HNNXBMFYSA-N 291.398 3.651 30 20 CHED C=CCC1(CNC(=O)/C=C/c2scnc2C)CCCC1 836990908 LJXRIMRQINOHGI-VOTSOKGWSA-N 290.432 3.717 30 20 CHED CC1CCN(c2ccc(NC[C@H](C#N)CCC#N)cc2)CC1 732917797 LKFZMJYVPSBXME-INIZCTEOSA-N 296.418 3.778 30 20 CHED N#CCc1cc(-c2ccc(O[C@@H]3CCOC3)cc2)ccc1F 904753893 MUOCEYJYYMWMAC-QGZVFWFLSA-N 297.329 3.726 30 20 CHED CCC(=NNCCc1ccc(OC)cc1)c1ccccc1 737439898 NFFKIPYGEAVPIG-UHFFFAOYSA-N 282.387 3.642 30 20 CHED CC(C)C[C@@H](NCC1(C#N)CC1)c1ccc(F)cc1 903106797 VRJXMXVKNUEFND-OAHLLOKOSA-N 260.356 3.806 30 20 CHED C=C(Br)COC(=O)C=C1CCC(C)CC1 734202385 CNJUEIGGWLSSCN-UHFFFAOYSA-N 273.170 3.575 30 20 CHED C=CCC1(CNC(=O)/C=C\c2cnc(C)s2)CCCC1 836990525 IEYMDIBHEZZHQZ-SREVYHEPSA-N 290.432 3.717 30 20 CHED C=CCOC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 730375579 LENSYPXRLFZHTB-UHFFFAOYSA-N 297.285 3.832 30 20 CHED C#CCOc1ccccc1[C@@H](C)OC(=O)c1cc(C)oc1C 730426399 WKTJPLQDPWXUJP-CYBMUJFWSA-N 298.338 3.826 30 20 CHED CCCCCCCCC(=O)NCc1nnc(C2CC2)s1 839905655 AZYNINXFYLPXGE-UHFFFAOYSA-N 295.452 3.782 30 20 CHED COc1cc2c(cc1NC(=O)[C@@H](C)C#N)oc1ccccc12 733887586 JOBCEBVXGGZBJB-JTQLQIEISA-N 294.310 3.693 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccccc1C 730147754 RWUSJZIEGOYHPI-UHFFFAOYSA-N 275.355 3.801 30 20 CHED C=CCC1(C(=O)OCc2ccc(C)cn2)CCCC1 835911505 WKWGADKSPKWYOZ-UHFFFAOYSA-N 259.349 3.570 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)CCCCCC#N 588156445 MKFLIAMDMAYKST-KRWDZBQOSA-N 286.419 3.988 30 20 CHED Cc1cccc(C)c1C(=O)OCc1ccc(C#N)cc1F 738710036 GVJOLLCVDXTBIQ-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cc(C)ccc2C)cc1 589078489 PRICGNVOOXTUNS-SFHVURJKSA-N 292.382 3.861 30 20 CHED C#CCNC(=O)Nc1c(C(C)C)cccc1C(C)C 915305422 BTMYIALARRTWQQ-UHFFFAOYSA-N 258.365 3.688 30 20 CHED CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 598603634 XPVLOBVEWZSVCF-CABCVRRESA-N 294.826 3.681 30 20 CHED C=CCCC(=NNc1ccccc1[N+](=O)[O-])C1CC1 747735568 BXKUBAOBXXHMGP-UHFFFAOYSA-N 259.309 3.739 30 20 CHED Fc1cccc(C=NOCc2cc(F)ccc2F)c1 917395869 ZAWUZOAIATVKAI-UHFFFAOYSA-N 265.234 3.655 30 20 CHED COc1ccc([C@H](C)NCCc2ccc(C#N)cc2)cc1F 595055903 MGSLDWNLCBKRAW-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED CC(C)Oc1ccc(CC/N=C\c2cccc(O)c2O)cc1 915112020 TWVIDJRIKCKRLI-UNOMPAQXSA-N 299.370 3.547 30 20 CHED C=CCCOCC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 674130108 FBYDGNSRCKLAFJ-KRWDZBQOSA-N 289.419 3.791 30 20 CHED C[C@@H](N)c1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 595253477 ORWNYRCERDKJEN-CYBMUJFWSA-N 285.391 3.509 30 20 CHED N#CCC1(COC(=O)c2c(Cl)cccc2Cl)CC1 849630782 AZJYRYYXQDIGMH-UHFFFAOYSA-N 284.142 3.844 30 20 CHED C=CCCCC(=O)O[C@H](C)c1ccc(F)c(F)c1 748235217 ZAKRXZWHDZZUQM-SNVBAGLBSA-N 254.276 3.925 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc2ccncc2c1 845554924 LPQRTTFTOJPKPJ-UHFFFAOYSA-N 282.343 3.722 30 20 CHED Cc1ccc(F)c(OCc2ccc(OCC#N)cc2)c1 741166402 HYZARDAENUHISN-UHFFFAOYSA-N 271.291 3.616 30 20 CHED C#C[C@H](OC(=O)COC(C)(C)C)c1ccc(Cl)cc1F 842352824 GUDXRDPQTIKWFA-ZDUSSCGKSA-N 298.741 3.512 30 20 CHED C=C(C)CCOC(=O)c1cccc(C(F)(F)F)c1 744304682 XEHIOUQCDTXALB-UHFFFAOYSA-N 258.239 3.828 30 20 CHED C=C[C@@H](C)OC(=O)c1csc(C2CCCCC2)n1 842340936 VNUOSDFBQPLBGG-SNVBAGLBSA-N 265.378 3.922 30 20 CHED FC(F)CON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853333590 NPXWTXQQJLNWQZ-SFYZADRCSA-N 259.218 3.623 30 20 CHED N#Cc1cccc(C2(NCc3cc(Cl)ccc3O)CC2)c1 747925192 ZKXQSCBRDFGBJP-UHFFFAOYSA-N 298.773 3.696 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(C)[C@H](C#N)CC)cc1 594089585 PPXPWGGOIDSNJQ-BBRMVZONSA-N 272.392 3.503 30 20 CHED CCN(Cc1ccoc1)C(=O)Nc1scc(C)c1C#N 594108619 QIFOHUKUTAALQM-UHFFFAOYSA-N 289.360 3.575 30 20 CHED CCC(C)(C)N(C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 591818475 GRGDUZCDAPTVTD-CYBMUJFWSA-N 287.407 3.791 30 20 CHED CC[C@H](Cc1cccs1)NCc1ccc(C#N)c(F)c1 590663107 DTEOBVPPZRNWDW-CQSZACIVSA-N 288.391 3.870 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc2c(c1)-c1ccccc1C2 847166941 HDSDPSGPXMZGSF-INIZCTEOSA-N 290.366 3.632 30 20 CHED C[C@H](C#N)N(CCOc1cc(Cl)ccc1Cl)C1CC1 595719015 ZGTMVZRZQXGARS-SNVBAGLBSA-N 299.201 3.749 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccccc1 593934670 POTVBEMUAZIBMD-HUUCEWRRSA-N 292.382 3.614 30 20 CHED CCCCNN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 915970019 TWWMKHSLDDYFNP-UHFFFAOYSA-N 287.319 3.578 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1ccc(F)c(F)c1 748997699 GSRRIRCCEYVAFL-ORCRQEGFSA-N 279.673 3.909 30 20 CHED C[C@@H]1N(C(=O)CC(C)(C)C#N)c2ccccc2C1(C)C 598276880 VIGRWRJQBYOSJO-LBPRGKRZSA-N 270.376 3.639 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](C)CC(C)(C)C 684783184 UQFYVPKOLRFVAW-FMKPAKJESA-N 281.440 3.546 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1cn(C(C)C)nc1C)C2 841488691 XEHJFTALOAUNBO-DHDCSXOGSA-N 280.371 3.903 30 20 CHED COc1cccc(C2(NCCC(C)(C)C#N)CCC2)c1 595852616 PTKNGBRJYCSCRZ-UHFFFAOYSA-N 272.392 3.604 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1/C=C\c1ccccc1 681001748 ORUZNXVLKGPGPY-OUFNUQFJSA-N 281.399 3.884 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@H](C)c2ccccc2C)no1 685335759 NGFHTQGBBXBMQR-FVQBIDKESA-N 298.386 3.978 30 20 CHED COc1cccc(NN=Cc2csc(C(C)(C)C)n2)c1 920372878 GKKLQRWVIBETRF-UHFFFAOYSA-N 289.404 3.895 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccc(Cl)cc1)C(C)C 844324167 TVGITIRHDHMZAU-LBPRGKRZSA-N 265.784 3.867 30 20 CHED COc1ccc2ccccc2c1C=NO[C@H]1CCCCO1 755825558 XLYNAKBGDSQMRQ-KRWDZBQOSA-N 285.343 3.726 30 20 CHED Cc1cc(C)nc(SCC(=O)c2cccc(C#N)c2)c1 682453248 MPPKKXXCXVFDSD-UHFFFAOYSA-N 282.368 3.545 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)ccc1F)C(C)(C)C 854780066 NYTBEXIYLNBKEB-AWEZNQCLSA-N 276.355 3.642 30 20 CHED C=CCC1(NCc2ccc3c(c2)CCC(=O)N3C)CCCC1 850388855 NHXZKUHOFXGYKE-UHFFFAOYSA-N 298.430 3.574 30 20 CHED C=C1CCN(C(=O)/C(C)=C\c2cccc(Cl)c2)CC1 759013048 LRJBLLIBPAWTLI-RAXLEYEMSA-N 275.779 3.922 30 20 CHED C=CCC1(NC(=O)c2c[nH]c3cccc(F)c23)CCCC1 855927529 SDBAGWBXNMYCSM-UHFFFAOYSA-N 286.350 3.926 30 20 CHED C#CC[C@H](NC(=O)c1cc(F)ccc1C)c1ccccc1 758006200 LDBJIYZZYPGYON-KRWDZBQOSA-N 281.330 3.629 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)OCCCCC#N 750458677 FTJHZJPFGHFCJN-UHFFFAOYSA-N 295.766 3.979 30 20 CHED Cc1ccccc1C=NNc1nc(C(F)(F)F)cs1 755900821 PIPYONBTRVLAHL-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc2ccccc2n1)OCC 756469949 IRHMZCZCFSMIIZ-QGZVFWFLSA-N 299.370 3.649 30 20 CHED C#Cc1cccc(NC(=S)NCC23CCC(CC2)C3)c1 756851024 GJEDAJZOUSLGDM-UHFFFAOYSA-N 284.428 3.535 30 20 CHED Fc1cccc(NN=Cc2c(F)cccc2F)c1 920384004 MJSLLHWBDDUYJF-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 757925075 KLSAGSFEXYPZNJ-OAHLLOKOSA-N 299.757 3.540 30 20 CHED C#CC[C@H](CCOC)N[C@H](C)c1cc2ccccc2o1 862547870 RLJCQHKXBQWWDK-UKRRQHHQSA-N 271.360 3.512 30 20 CHED CCc1noc(C)c1C(C)=NNc1cc(F)c(F)c(F)c1 769820463 GDACDYWDVIKQTK-UHFFFAOYSA-N 297.280 3.799 30 20 CHED CCC(=NNc1c(C)cccc1F)C1CCOCC1 769827576 FKVPASHTGSMVBL-UHFFFAOYSA-N 264.344 3.739 30 20 CHED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1occc1C 767779637 OVLINYXPMKNAFL-UHFFFAOYSA-N 286.335 3.581 30 20 CHED Cc1cc(C)c(C=NNc2cccc(C#N)c2)c(C)c1 767336552 RRKBXCZSWWYKPO-UHFFFAOYSA-N 263.344 3.930 30 20 CHED Fc1cc(F)cc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)c1 762419361 WPJKBLKXGKZXHF-GARJFASQSA-N 250.292 3.799 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccc(C(F)(F)F)nn2)C1 768365777 ADMFUAVGPREBRS-ZJUUUORDSA-N 286.301 3.719 30 20 CHED C#CCCN(Cc1cccc(OCCC)c1)CC(F)(F)F 768535348 XSOOSBDWSZMTAC-UHFFFAOYSA-N 299.336 3.863 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cccc(Cl)c1F 860198477 VYCPSOWLKSLVFR-UHFFFAOYSA-N 283.730 3.852 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(C(F)F)cc1 763835217 YPZGTVOAAYARGY-UHFFFAOYSA-N 266.335 3.996 30 20 CHED C#C[C@H](OC(=O)[C@@H](C)c1ccc(C)o1)c1ccc(C)cc1 860964134 KKFACBFWHFPZPO-HOCLYGCPSA-N 282.339 3.918 30 20 CHED CCc1ccc(C=NNc2ccc3ccccc3n2)o1 760225106 IRKYQPKDLYVEQY-UHFFFAOYSA-N 265.316 3.836 30 20 CHED COc1ccc(OCCSCc2ccccc2C#N)cc1 57684407 FEHVKAZOGSLJBQ-UHFFFAOYSA-N 299.395 3.879 30 20 CHED C#CCOc1ccccc1NC(=O)N[C@H]1CC12CCCCC2 776096488 LQJUMSVSSGMLTH-INIZCTEOSA-N 298.386 3.543 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCCOC[C@H]1C 772988000 DUXPTJLWJLUBCP-HZPDHXFCSA-N 298.471 3.803 30 20 CHED CCCCCCCN[C@H](C)CC(=O)N1CCCCCC1 776747224 QHJHICBKTCFITG-MRXNPFEDSA-N 282.472 3.728 30 20 CHED C=CCCOCCN[C@H](CC)c1ccc2c(c1)CCCO2 773105996 JFHIKCTVKPNIBN-QGZVFWFLSA-N 289.419 3.645 30 20 CHED Cc1ncsc1CN(C)c1ccc(Cl)cc1C#N 66467553 QKCQAUFMONMKGF-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C#CCCCCCC(=O)N[C@@H](CCC#N)c1ccccc1 779990277 DTDAXGVRKJOWIB-KRWDZBQOSA-N 282.387 3.731 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc2[nH]ccc2c1)OCC 873555715 YRLJWDJFTCTCSO-MRXNPFEDSA-N 287.359 3.582 30 20 CHED CC(=O)[C@](C#N)(CCN1CCCCCCC1)c1ccccc1 877902174 HMQWKOFXTZPIPM-LJQANCHMSA-N 298.430 3.693 30 20 CHED CC(C)(C#N)CCOC(=O)C[C@@H]1CCc2ccccc21 776384709 FVUJSNXHWKLSFK-AWEZNQCLSA-N 271.360 3.590 30 20 CHED CC(C)CNN=C[C@@H](C)c1cccc(Br)c1 771557403 FIDMYXIEWUMWBM-LLVKDONJSA-N 283.213 3.784 30 20 CHED C#CCCN[C@@H](CCc1ccccc1)c1ccccc1 775181426 VOYVIPKDFFLVGH-IBGZPJMESA-N 263.384 3.973 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H]1CCc2ccccc2C1 776794321 AWCFHSBQPFMSNF-HXUWFJFHSA-N 290.410 3.856 30 20 CHED O=C(/C=C\c1cccc(F)c1)OCC#Cc1ccc(F)cc1 771312167 SHTKJYSJTINYSM-FLIBITNWSA-N 298.288 3.573 30 20 CHED C#CC[C@H](NCc1ccccc1N(C)C)c1ccccc1 775399440 RIPTVSUKAXEAPQ-SFHVURJKSA-N 278.399 3.607 30 20 CHED C=CC[C@@H](N[C@H](C)c1cnccc1C)c1ccncc1 772456602 SCCYQGNGTVXQNL-RHSMWYFYSA-N 267.376 3.753 30 20 CHED C#CCOc1ccccc1NCc1ccc(CF)cc1 774373962 UXKMRZJYAWJGMU-UHFFFAOYSA-N 269.319 3.780 30 20 CHED CCC(CSc1ccc(Cl)cc1)=NNC[C@H](C)C#N 771111601 ITDJGNCGKHJWGZ-LLVKDONJSA-N 295.839 3.947 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2CC[C@H](C)C2)c(OC)c1 776289889 BZFOTXLBUIRHLH-GXTWGEPZSA-N 274.360 3.765 30 20 CHED C=C(C)CN(C)Cn1ccn(Cc2ccccc2)c1=S 777959393 HWVHQLDTEAOVDL-UHFFFAOYSA-N 287.432 3.533 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)cc1 1124243528 JZXHKNDJAAVWTF-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Brc1csc(C=NNC2CCCCC2)c1 786043222 LETIAUJAHCESIH-UHFFFAOYSA-N 287.226 3.767 30 20 CHED CC(C)(C)CC(=O)OCc1ccc(C#N)cc1Cl 784184825 AKQOIMQHHYGRJA-UHFFFAOYSA-N 265.740 3.691 30 20 CHED CC(C)C#CC(=O)Nc1cccc(COC(C)(C)C)c1 885617758 AOYTUVPUKCRUCK-UHFFFAOYSA-N 273.376 3.600 30 20 CHED C=CCCN(C)C(=O)c1ccc2c(c1)-c1ccccc1C2 786668900 CKANYWCGFCHKOQ-UHFFFAOYSA-N 277.367 3.906 30 20 CHED Cc1cnc(C(=O)OCC#Cc2ccc(Cl)cc2)c(C)c1 780229554 OFBCHAWHVHXSLF-UHFFFAOYSA-N 299.757 3.560 30 20 CHED CCCC[C@@H](CC)CNC(=S)N1CCC[C@@](C)(C#N)C1 783774541 XRRZEGQXXDTCNZ-ZBFHGGJFSA-N 295.496 3.703 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2)cc(Cl)n1 788697635 FWFVWBCUWASJPY-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCCCCCCC(=O)NCc1cc(OC)ccc1OC 890635156 PWGBDMUHCQPTHU-UHFFFAOYSA-N 293.407 3.681 30 20 CHED CCCCC[C@H](NC(=O)NCC(C)(C)C#N)C(C)(C)C 781939924 LRYOGBWGDGFAJY-ZDUSSCGKSA-N 281.444 3.830 30 20 CHED C[C@@H]1CCCC[C@@H]1Nc1ncc(Br)cc1C#N 74370390 DWQGPMOADGEPKI-SKDRFNHKSA-N 294.196 3.706 30 20 CHED Fc1cc(NN=Cc2ccc(N3CCCCC3)cc2)ccn1 781133833 UOFPATHTHAWTIB-UHFFFAOYSA-N 298.365 3.657 30 20 CHED C=CCC(C)(C)CNC(=O)N(CCC)CC(F)(F)F 895043589 LANOTSDCVCCZGA-UHFFFAOYSA-N 280.334 3.573 30 20 CHED CCN(Cc1ccccc1F)Cc1cc(C#N)ccc1F 1139649686 YUHSOVVLDFKEPB-UHFFFAOYSA-N 286.325 3.859 30 20 CHED C=C1CC(c2noc([C@H]3C[C@@]34CCc3ccccc34)n2)C1 896882378 KDPOIKHBRYGMMZ-CRAIPNDOSA-N 278.355 3.875 30 20 CHED COc1ccc(NN=Cc2cccc(C(F)(F)F)c2)nc1 780268054 PUKORMKUTXCZQW-UHFFFAOYSA-N 295.264 3.555 30 20 CHED COc1cc(F)c(NCc2cccc(C#N)c2F)cc1F 783884775 VOFRCAKHGZBQMU-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CC(=O)c1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1 783367662 LPBAGUGDZLESGA-CYBMUJFWSA-N 293.322 3.679 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc2cnccc2c1 894446920 YMJIXEPCQZYROY-UHFFFAOYSA-N 255.317 3.743 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1c(C)nn(C(C)C)c1C 793111511 IIGXXAPVLZHROD-AWEZNQCLSA-N 278.444 3.829 30 20 CHED C=CCC[C@H](NC[C@H](C)N1CCCCC1)c1ccco1 796703158 SNYMBTHEZUTSII-HOTGVXAUSA-N 276.424 3.751 30 20 CHED Cc1coc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)c1 893041472 LNLREVQCPBDQQC-UHFFFAOYSA-N 280.327 3.659 30 20 CHED C=CCCCOC(=O)C[C@@H](CC#N)c1ccccc1 795989475 GQAWMGGRGHACJT-OAHLLOKOSA-N 257.333 3.583 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2cc(F)cc(C#N)c2)C1 1208346035 KJHWUKDMLBMUHZ-NEPJUHHUSA-N 289.354 3.645 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)OCCO3)oc1C 799896308 HOXRAIWJSNYOSZ-HYXAFXHYSA-N 284.311 3.564 30 20 CHED Clc1cc(Cl)cc(NN=C2CCCOCC2)c1 790210983 JTTZRIJNYPNPTJ-UHFFFAOYSA-N 273.163 3.962 30 20 CHED C#CCN(C)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 790964083 ONDUADZNBLYOHN-LUAWRHEFSA-N 299.370 3.659 30 20 CHED CC[C@@H](C)NN=C[C@H](C)c1cccc(Br)c1 790187393 AMRDNFZCJQJEBA-WDEREUQCSA-N 283.213 3.927 30 20 CHED C=CCCCCC[C@@H](C)NCc1cccc(CO)c1 793528159 SBOJNVWRDULQNV-OAHLLOKOSA-N 261.409 3.794 30 20 CHED C1CCC(SCCON=C2CCCOCC2)CC1 799963132 HARLHFDTRVWGOX-UHFFFAOYSA-N 271.426 3.625 30 20 CHED CCN(CCCOc1ccc(Cl)cc1)C[C@@H](C)C#N 560511322 NQWLUGLQCNBZNT-ZDUSSCGKSA-N 280.799 3.590 30 20 CHED C[C@@H](CCC#N)N(C)Cc1cscc1Br 709981346 DMRGRLWLWXFZNE-VIFPVBQESA-N 287.226 3.635 30 20 CHED Cc1n[nH]c(C)c1/C=C1/CC(C)(C)c2ccccc2C1=O 794970246 XLMIBFDCLFNCCU-LCYFTJDESA-N 280.371 3.974 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H]1COC2(CCCC2)O1 793548732 UVOGVAKAYQFBGW-HZPDHXFCSA-N 281.440 3.787 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)NCC1(CC#N)CC1 797565950 NRHNTKBSVKAKBR-BENRWUELSA-N 288.778 3.553 30 20 CHED COc1ccccc1CON=Cc1cc(F)ccc1C 799117618 MQGSRGGTUTXNME-UHFFFAOYSA-N 273.307 3.693 30 20 CHED C=CCOc1ccc(C/N=C/c2cccc(OC)c2O)cc1 794679390 HCIDASUAJLKRDY-CPNJWEJPSA-N 297.354 3.585 30 20 CHED Cc1ccc(F)c(OCc2ccc(C#N)cc2F)c1 85555735 LELQQEVWCVFTIB-UHFFFAOYSA-N 259.255 3.724 30 20 CHED Cc1cc(C(=O)Nc2ccccc2C#N)cc(C)c1F 133828572 KKHZCTXXPNMREE-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CN(c1ccc(C#N)cn1)[C@H]1CCC[C@H]1c1ccccc1 1307138989 KJQYTSJVDXTHBY-IRXDYDNUSA-N 277.371 3.726 30 20 CHED Cc1ccc(C#N)c(NCCC2CCC(F)(F)CC2)n1 1307229212 FSIGPRYECRRURP-UHFFFAOYSA-N 279.334 3.889 30 20 CHED C[C@H](c1ccccc1)n1cc(Nc2ccc(C#N)cn2)cn1 1307148549 GDFDKUQEUKLLLG-CYBMUJFWSA-N 289.342 3.503 30 20 CHED Cc1cc(CN2CCc3c(C#N)cccc32)c2ccccc2n1 1307862798 XIUQCLQVVJYIRP-UHFFFAOYSA-N 299.377 3.978 30 20 CHED N#CCc1cccc(NCCc2ccc(Cl)s2)n1 1320365380 YOEJILNAPVFQKI-UHFFFAOYSA-N 277.780 3.517 30 20 CHED C=C[C@H](COC)N[C@H](C)c1oc2ccccc2c1C 1320592972 VOAGGCHQYLXAHD-CHWSQXEVSA-N 259.349 3.593 30 20 CHED CCN(C)c1ccc(CSCC2(C#N)CC2)cc1 1320996364 KLOFWOXZBYVRPH-UHFFFAOYSA-N 260.406 3.680 30 20 CHED CCC[C@H](C)Cc1nnc(-c2ccc(C#N)cc2)o1 1322326377 ZWIOQPIIICBXGE-NSHDSACASA-N 255.321 3.587 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2ccc(OCC#N)cc2)CS1 1326304848 HQWAHJNGVMCIIR-DZGCQCFKSA-N 290.432 3.921 30 20 CHED CC(=NNc1ccn(C)n1)c1ccc(Cl)cc1Cl 1320696846 RSMJURRZUKPWJI-UHFFFAOYSA-N 283.162 3.563 30 20 CHED Cc1nc(SCc2ccncc2)c(Cl)cc1C#N 1187724919 URIWYUDCPKKZDQ-UHFFFAOYSA-N 275.764 3.602 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 1338097333 MPDHYXQQCLZAAQ-GFCCVEGCSA-N 296.330 3.651 30 20 CHED Cc1cc(OC(=O)[C@H](C)OC2CCCCC2)ccc1C#N 1339109259 DSUJVCUIBXHBEE-ZDUSSCGKSA-N 287.359 3.510 30 20 CHED N#CC1(CN(Cc2nc3ccccc3s2)C2CC2)CC1 1333261016 MNZHHUCJGIVPFI-UHFFFAOYSA-N 283.400 3.564 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(F)c(F)c1F 1337549885 FSFYGWVIWAXNAD-SNVBAGLBSA-N 283.293 3.675 30 20 CHED C[C@@H](CC#N)OC(=O)c1c(Cl)cccc1OCC1CC1 1343276041 WUPLKMLWLDSYDY-JTQLQIEISA-N 293.750 3.588 30 20 CHED C=CCOc1cccc(CN(C)[C@@H]2CC[C@H](SC)C2)c1 1341568674 ANOLFBPCQBSYNF-WBVHZDCISA-N 291.460 3.967 30 20 CHED N#Cc1cccc(-c2nnc(/C=C/C3CCCC3)o2)c1 1346663192 SXVSMLHHGWOQGD-CMDGGOBGSA-N 265.316 3.812 30 20 CHED Cc1cccc(C2(C(=O)O[C@H]3CC[C@H](C#N)C3)CCC2)c1 1344605282 PYCPMMHRYITBOZ-HOCLYGCPSA-N 283.371 3.652 30 20 CHED CSc1ccccc1C(C)=NNc1ncncc1Cl 1344574866 RGRKNSKDBKEHCW-UHFFFAOYSA-N 292.795 3.688 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C#N)c1C 1435035440 MTPDUIIWKBYAEW-PBHICJAKSA-N 284.403 3.955 30 20 CHED C=C(Cn1c(CC)nnc1N(CC)C1CC1)c1ccccc1 1507851435 OOXQNODEXSWGDY-UHFFFAOYSA-N 296.418 3.543 30 20 CHED C=C(C)CCC(=O)Oc1c(Br)cccc1OC 1517833744 RNMKMUTXVFXTSO-UHFFFAOYSA-N 299.164 3.719 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2ccc(C(=O)O)o2)cc1C 1607614283 UTWRZXRLEGVERC-XQRVVYSFSA-N 284.311 3.799 30 20 CHED CSc1cc(F)ccc1NC(=O)c1cc(C#N)oc1C 1530058049 QKUIMWHNHHJPOH-UHFFFAOYSA-N 290.319 3.573 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1CCOc1cccc(C#N)c1 1615989144 XLKOTGIVXIOZSY-CRAIPNDOSA-N 286.419 3.838 30 20 CHED N#Cc1cccc(CNc2ccc(-c3nccs3)cc2)n1 1474384637 JIERIDHLZGVUAV-UHFFFAOYSA-N 292.367 3.689 30 20 CHED CCCCCCCCN1CC[S@](=O)C(C)(C)CC1 832021114 UIGPADLYTQDFID-SFHVURJKSA-N 273.486 3.580 30 20 CHED C=C(Cl)CNCc1cccc2c(OC)cccc12 1620809664 JPBFBTNRZKOTFA-UHFFFAOYSA-N 261.752 3.691 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)cn2)cc1Cl 1560452347 XVTSLRQCRGQYSG-UHFFFAOYSA-N 292.169 3.550 30 20 CHED Cc1cc(C#N)ccc1CSCc1ccncc1 1644269824 GQCMEWOYKPOMDP-UHFFFAOYSA-N 254.358 3.695 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C#N)cc2F)[C@@H]1c1ccccc1 1586989648 LQZATFMUHCDWNG-PXAZEXFGSA-N 294.329 3.531 30 20 CHED Cc1ccc(F)cc1CN1CCCc2cc(C#N)ccc21 1654579044 OPXQGBFBNKWMTP-UHFFFAOYSA-N 280.346 3.959 30 20 CHED CC(C)C[C@H]1CCC1=NNc1ccccc1C(=O)O 1776032112 NYNQONOFAIUJAZ-LLVKDONJSA-N 260.337 3.609 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCCC(C)(C)C)C1 1776156494 NIJWMLIDXHLGLC-MRXNPFEDSA-N 267.413 3.556 30 20 CHED CC[C@@H]1CCC[C@@H]1NCc1ccc(N(C)CCC#N)cc1 154134101 FQPVQFMPVHBJMR-AEFFLSMTSA-N 285.435 3.705 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)c1cccc(SCC#N)c1 155897172 NDLAMTGTJIWHQY-SWLSCSKDSA-N 288.416 3.611 30 20 CHED C[C@H](SC1CCCCC1)C(=O)Nc1ccccc1C#N 7602995 FXSMRSMWGVCNMW-LBPRGKRZSA-N 288.416 3.951 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(Cl)c(Cl)c1 233358138 DEGMMYCVWILDIX-SNVBAGLBSA-N 270.159 3.525 30 20 CHED N#Cc1ccnc(NCCCc2ccccc2)c1Cl 236056947 PWQWADOJUCENCY-UHFFFAOYSA-N 271.751 3.651 30 20 CHED CCSc1ccc(CNCc2ccc(C#N)o2)cc1 883235833 LNOQFTDREPJOJE-UHFFFAOYSA-N 272.373 3.553 30 20 CHED Cc1ccc2cccc(NCc3ccc(C#N)o3)c2n1 157502188 HREVUSHJYVLBSF-UHFFFAOYSA-N 263.300 3.620 30 20 CHED N#Cc1ccc(CNc2cc3c(cc2Cl)OCO3)cc1 35229641 FKHAJVAJOMMHTJ-UHFFFAOYSA-N 286.718 3.552 30 20 CHED CCn1nc(C)c(CNc2ccc(Cl)c(C#N)c2)c1C 276433345 KBECNAHVFUNKKB-UHFFFAOYSA-N 288.782 3.657 30 20 CHED C[C@H](c1ccncc1)N(C)CCCCC(C)(C)C#N 277800894 UEGSHTHHKUCRPQ-CQSZACIVSA-N 259.397 3.794 30 20 CHED CC[C@H]1CO[C@H](CC)CN1CCCCC(C)(C)C#N 403905528 WSXWGOKXAUPHOX-LSDHHAIUSA-N 266.429 3.596 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(Cl)cc(C(=O)O)c1 393752075 WOCDIGFVQOQPRV-LLVKDONJSA-N 296.754 3.514 30 20 CHED N#CCCC1CCN(C(=O)CCC2CCCCC2)CC1 399325180 JUMUUYJSWNJBTF-UHFFFAOYSA-N 276.424 3.889 30 20 CHED CC(=NNC(=S)Nc1ccccc1)c1ccc(F)cc1 254739979 GZXQUFHSMPWIDJ-UHFFFAOYSA-N 287.363 3.536 30 20 CHED CC(C)Oc1ccc(C(=O)Nc2ccccc2C#N)cc1 513742 NFCCMUCXFVOQMU-UHFFFAOYSA-N 280.327 3.598 30 20 CHED CC1CCC(=NNc2nncc3ccccc23)CC1 6287556 SUTXEPOVIRUWOH-UHFFFAOYSA-N 254.337 3.608 30 20 CHED N#Cc1cccc(COC(=O)c2ccc(F)cc2Cl)c1 7656339 MYZYMBSZTSMXKT-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(F)c1C 175352130 NIHXMLNPQOVVEI-UHFFFAOYSA-N 285.318 3.951 30 20 CHED Cc1cccc(CSc2nc(C)ccc2C#N)c1 54965692 OYJYSFYBEFUPNU-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C=CCCCN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 179771409 IXNPOKKDZHPBJZ-ZDUSSCGKSA-N 272.392 3.652 30 20 CHED CO[C@H](CNCC(C)(C)CCC#N)c1cccc(Cl)c1 174641848 QSTHSRLPAKWDCK-OAHLLOKOSA-N 294.826 3.947 30 20 CHED CCC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 177987040 IMRJCKNHSVDQLA-MOPGFXCFSA-N 294.398 3.723 30 20 CHED N#C[C@@H](OC(=O)c1ccc(-c2ccccc2)s1)C1CC1 176062363 JXNOEFDSZJESHW-CYBMUJFWSA-N 283.352 3.874 30 20 CHED CCCCCC[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C 173371341 QIYSNIKRTMKNAD-HIFRSBDPSA-N 252.402 3.647 30 20 CHED C/C=C/C=C/C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 66391904 YGEIZVZYAHVASH-LENVYROZSA-N 295.169 3.807 30 20 CHED C[C@@H]1CN(c2cccc(C#N)n2)CC[C@@H]1c1ccccc1 301471963 UELLWOIJCWEOBX-PBHICJAKSA-N 277.371 3.583 30 20 CHED CCCCN(c1ccc(C(F)(F)F)c(C#N)n1)C1CC1 409722390 OXBPYTCRIZDEFF-UHFFFAOYSA-N 283.297 3.741 30 20 CHED C#CCCCCC(=O)O[C@@H]1CCSc2ccccc21 1342978349 HJWRYMRLSAATQR-CQSZACIVSA-N 274.385 3.960 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H](C)CC2)cc1 68784265 UMGPBGYUGQEIIP-CQSZACIVSA-N 273.376 3.514 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C#N)C1CCCCC1 172032631 WNBOBIBWHMTDBC-INIZCTEOSA-N 283.375 3.841 30 20 CHED C#CCOc1ccc(C(=O)Nc2cccc(C)c2Cl)cc1 175162358 NMJUEYFCAJOMAE-UHFFFAOYSA-N 299.757 3.913 30 20 CHED C=CCN(C(=O)COc1cccc(CC)c1)c1ccccc1 61325662 PEVWQIDNBUIJJR-UHFFFAOYSA-N 295.382 3.847 30 20 CHED N#Cc1cccc(Cl)c1N1CCC(c2ccncc2)CC1 302793915 NNBSKDQUXYQGGL-UHFFFAOYSA-N 297.789 3.991 30 20 CHED Cc1cnc(CSCCOc2cccc(C#N)c2)s1 179988114 MNWSEMSEIWEUIA-UHFFFAOYSA-N 290.413 3.635 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H]2CC[C@@H](C)C[C@H]2C)cc1 113345275 QBUDNZZUAJMMAS-BSXFFOKHSA-N 286.419 3.892 30 20 CHED N#Cc1ccc(NC[C@@H](c2ccccc2)C(F)(F)F)cn1 302521114 YYJHVPAWBFYCJZ-AWEZNQCLSA-N 291.276 3.711 30 20 CHED N#Cc1ccc(COc2cccc(C(F)(F)F)n2)c(F)c1 179956211 XRMJLKWHPUVSGD-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C#CCCCNC(=O)C(C)(C)CCCc1ccccc1 172936496 XHUWYDYTKVEBMB-UHFFFAOYSA-N 271.404 3.565 30 20 CHED CCc1nn(C)cc1/C=C1\CCc2ccc(C)cc2C1=O 179742962 BDXCLFBFWSJDSQ-GXDHUFHOSA-N 280.371 3.503 30 20 CHED COc1cccc(N/C(N)=N/CC2CCC(C)(C)CC2)c1 305696492 OLBLYUYOGXHVOC-UHFFFAOYSA-N 289.423 3.638 30 20 CHED N#Cc1ccc(CNCc2ccc3sccc3c2)o1 352447545 MRVUPXPORYSDBU-UHFFFAOYSA-N 268.341 3.656 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(Cl)c2cccnc12 129602547 YRGLBNOLOORQHW-NSHDSACASA-N 273.767 3.622 30 20 CHED N#Cc1ccccc1CN1C[C@H]2CCC(=O)c3cccc1c32 184779529 WMUOVEWZXSKWOX-OAHLLOKOSA-N 288.350 3.639 30 20 CHED CC[C@@H](NCc1ccccc1C(C)(C)C#N)[C@H]1CCCO1 182382289 FKSKBTKXYYVQCN-IAGOWNOFSA-N 286.419 3.535 30 20 CHED CC[C@@H](NC[C@@H](CC(C)C)OC)c1ccc(C#N)cc1 417329111 CXWHVILHZSCPNF-IAGOWNOFSA-N 274.408 3.660 30 20 CHED C=CCC[C@H](NCC[C@H]1C[C@H]2CC[C@H]1O2)c1ccco1 414161566 FQKUZVGVBDXAIL-XUWVNRHRSA-N 275.392 3.834 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 183224795 RRKLOPYHIRDWRA-WBMJQRKESA-N 290.382 3.667 30 20 CHED C[C@@H](CCC#N)N1CCC(Cc2cc(F)ccc2F)CC1 411807384 KJXZIPWLVWUGCR-ZDUSSCGKSA-N 292.373 3.912 30 20 CHED N#Cc1cc(Br)ccc1COc1ccccc1 260879001 ZLKBCJYCHHIPLV-UHFFFAOYSA-N 288.144 3.900 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1CCC[C@@H](C2CC2)C1 413305218 UPUPBZYYQZNDIS-LLVKDONJSA-N 295.308 3.598 30 20 CHED Cc1cc(CN[C@@H]2CCCC[C@H]2OC(F)F)ccc1C#N 500508717 QMQXUGKAYKFJFX-HUUCEWRRSA-N 294.345 3.507 30 20 CHED N#CC1(CSCc2ncc(Cl)s2)CCC1 419466811 UDSYSGSJPJSMSQ-UHFFFAOYSA-N 258.799 3.724 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CSc1cc(C)ccc1C 410825875 GYCPHNMMXTZEAS-AWEZNQCLSA-N 290.432 3.546 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](CCC)NC(C)C)CCCC1(C)C 509094836 QUMXVWNBLKNJQH-JKSUJKDBSA-N 294.483 3.746 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)CCc1cccc(F)c1 410823496 AIORGJNGMVXXKI-BBRMVZONSA-N 290.382 3.545 30 20 CHED C=CCN(CC=C)[C@@H](C)c1nc(-c2cccs2)no1 411159963 ASJXAHVCYNQFMQ-NSHDSACASA-N 275.377 3.533 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H](C)[C@@H]2CC)cc1 187427522 OQROBMYMAKSEGJ-BBRMVZONSA-N 273.376 3.512 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cccc(F)c2F)CC1 183260410 DPWXANBOAUOCSI-ZDUSSCGKSA-N 294.389 3.656 30 20 CHED N#Cc1cnc(NC[C@H]2SCCc3ccccc32)c(F)c1 413175297 JUOXNPROMUQNSI-OAHLLOKOSA-N 299.374 3.535 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncc(CCCC)cn1 411075159 RVIVGNRLNVYJBF-UHFFFAOYSA-N 273.380 3.526 30 20 CHED C[C@H]1C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)CC[C@H]1C 410673887 KTCLZYWWMBFIQM-LMOYCYGVSA-N 264.413 3.503 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccccc1SC 187799543 SJKFMZZKDHLYEH-OAHLLOKOSA-N 279.405 3.576 30 20 CHED C[C@H](OC(=O)Cc1cccc2ccccc12)C(C)(C)C#N 131710825 WVPFKOIWSPHKQW-ZDUSSCGKSA-N 281.355 3.864 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 185609216 AFNQCLINERKSJB-JTQLQIEISA-N 295.766 3.667 30 20 CHED C[C@@]1(C(=O)N[C@H](C#N)c2ccccc2Cl)CC=CCC1 410646220 YNORZGIBWJRKGO-GDBMZVCRSA-N 288.778 3.767 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)o2)CC1 504198801 DCIGZURWGWDZTF-OLZOCXBDSA-N 288.391 3.876 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 181592996 OJMYWAKIZTVANF-LBPRGKRZSA-N 263.356 3.841 30 20 CHED CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410963727 GKOSEWKAUADQFX-CHWSQXEVSA-N 276.767 3.637 30 20 CHED C=CC[C@H](CC)NC(=O)CCSc1ccc(F)cc1 410117665 NMMOSSSGBPUVPL-ZDUSSCGKSA-N 281.396 3.779 30 20 CHED N#Cc1cc2c(nc1SCCCCF)CCCC2 505466336 FZBRLPOKLMBUPL-UHFFFAOYSA-N 264.369 3.674 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ncc(C)s1 49209644 OIPIBTXELGFGRK-UHFFFAOYSA-N 287.388 3.672 30 20 CHED N#CCc1cccc(C(=O)Nc2cccc3ncccc23)c1 42228450 SCCDUTVHMZSGAG-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=C[C@](C)(CC)C(=O)N(CC)CCc1ccccc1 190274460 BQUYWLFBIJLMPW-QGZVFWFLSA-N 259.393 3.680 30 20 CHED Cc1ccc(NC(=O)COc2c(C)cc(C#N)cc2C)cc1 131759044 ICOKKZLXSAHPCB-UHFFFAOYSA-N 294.354 3.501 30 20 CHED Cc1cnc(N=C(O)[C@H](C)OC2CCCCCC2)o1 329895397 BUUARGMWZLYTMG-NSHDSACASA-N 266.341 3.699 30 20 CHED C=CCSCC(=O)NCC1(c2ccccc2)CCCC1 44399029 WNWDTKUQQGLTOY-UHFFFAOYSA-N 289.444 3.534 30 20 CHED N#Cc1cccc(NCCc2cc(Cl)cc(Cl)c2)n1 609892074 IFUHPFSQXOHAFM-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N2CCC[C@@H]2C)c1C1CC1 328951680 XIRBGGKBQUYBCO-NEPJUHHUSA-N 290.411 3.761 30 20 CHED CCCCCCCCNCc1cnn(C(C)C)c1 226239324 JXCQEFOSYMMIRG-UHFFFAOYSA-N 251.418 3.914 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 329802793 ZFXLTTBBPXFFPX-DGFQIJBJSA-N 288.391 3.990 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(NC(C)=O)ccc1Cl 134979544 PHDZVZCYKNXIQQ-HNNXBMFYSA-N 294.782 3.839 30 20 CHED Cc1ccc(NC(=O)[C@H](C)C#N)c(OCc2ccccc2)c1 510405425 CMOYRQFJKGBSJS-CQSZACIVSA-N 294.354 3.672 30 20 CHED C#CCCCC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 190564444 WIGGYVNDWVKQNN-UHFFFAOYSA-N 281.399 3.723 30 20 CHED CCOCCC1(CNc2ccc(C#N)cc2)CCC1 134013748 LQPGGXAMMVKTPH-UHFFFAOYSA-N 258.365 3.567 30 20 CHED N#Cc1ccc(NCc2cccc(Cl)c2F)cc1 83442293 BZDXXNBLZZGLFK-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#Cc1csc(CN2CCN(C3CC3)c3ccccc32)c1 428425212 ZEVITTKSEMRCHN-UHFFFAOYSA-N 295.411 3.609 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1c(F)cccc1Cl 81511485 MIJFVFHHNYHEKL-VHSXEESVSA-N 284.762 3.804 30 20 CHED C=CCC[C@@H](O)CN(C(C)C)[C@@H](C)c1ccsc1 421005378 JEXUAYWMYFBEEX-DZGCQCFKSA-N 267.438 3.847 30 20 CHED CCCc1ccc(NC(=O)c2ccccc2OCC#N)cc1 194089599 ICWWRAZEADJHKY-UHFFFAOYSA-N 294.354 3.794 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 191801733 DUQSHAKUQQZMRJ-QGZVFWFLSA-N 285.343 3.642 30 20 CHED CC[C@@H](C#N)OC(=O)C[C@@H](c1ccccc1)C(F)(F)F 84712385 VVSWPVUQZHSCOI-RYUDHWBXSA-N 285.265 3.568 30 20 CHED C[C@H]1CC[C@H](CSc2ccc(C#N)cc2Cl)O1 191189225 ZTXVIWHITBPUNK-GXSJLCMTSA-N 267.781 3.871 30 20 CHED C=CCCC(=O)Nc1cccc(-c2nccs2)c1 338662563 PRNNVHJHSHMTGU-UHFFFAOYSA-N 258.346 3.715 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)s2)cs1 421887744 SRIWSEWDSMDBHU-SNVBAGLBSA-N 262.403 3.841 30 20 CHED N#Cc1cc(NC(=O)Cc2ccc(Cl)s2)ccc1F 193602327 YULRWGCPCBPQFA-UHFFFAOYSA-N 294.738 3.593 30 20 CHED C=CCc1cc(CN2[C@H](C)CC[C@H]2C)cc(OC)c1O 91937538 XKDGXHMIAHIUJP-CHWSQXEVSA-N 275.392 3.502 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc2ccccc2s1 424564310 PFTPUDCJJWWRCG-UHFFFAOYSA-N 260.362 3.837 30 20 CHED C=CCN(C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 428382565 SDQZOTDNGZUIOM-UHFFFAOYSA-N 284.186 3.887 30 20 CHED CCOc1cc(C)ccc1CNCc1ccc(C#N)c(F)c1 421361325 GQXWWKSLLSCLSK-UHFFFAOYSA-N 298.361 3.694 30 20 CHED CCOc1cc(F)ccc1NC(=O)C1(C#N)CCCCC1 98114654 WMUGCFAWNLZYBH-UHFFFAOYSA-N 290.338 3.637 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cc(C)cc(C)c2)no1 518834095 MNEMVVLZUUBWNK-HUUCEWRRSA-N 284.359 3.802 30 20 CHED N#Cc1c(F)cccc1CNc1c(F)cc(F)cc1F 427413685 MUMRDFQDGCCJGG-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCOc2cccc(F)c2C1 338331817 YKAXZTXVFSSALZ-CYBMUJFWSA-N 296.345 3.653 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)c2cccc(C#N)c2C)c1C 338147800 LBUFTNSFVRPKLH-LLVKDONJSA-N 296.374 3.595 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1cc(C#N)cs1 93149685 IDIVZCFAMLBRHN-LBPRGKRZSA-N 268.385 3.739 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H]1OC(F)F)c1ccc(C#N)cc1 337537831 HHMISCNYPOJKGA-ZNMIVQPWSA-N 294.345 3.759 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 436389211 LSMZNDXDBJYHJP-WOSRLPQWSA-N 265.360 3.811 30 20 CHED COc1cccc(F)c1N/C(O)=N/CC1CCCCC1 331146251 VXUNJWDMBNWYTI-UHFFFAOYSA-N 280.343 3.741 30 20 CHED CCc1ccc(N/C(O)=N/CC2(O)CCCCC2)cc1C 330605652 MPFJVCPDIFEIGH-UHFFFAOYSA-N 290.407 3.579 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@H](C)CC(C)C 431840854 PASHTHMGIHNHBY-GFCCVEGCSA-N 258.365 3.878 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1c(C)cccc1F 439384124 YBROXKWZMNSGDY-NSHDSACASA-N 250.317 3.610 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)NC1(C#N)CCC1 331829655 DILJPGQZFYFETE-CQSZACIVSA-N 262.397 3.545 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccccc2F)cc1 96766538 UXRMMVYRWSIYIN-FLIBITNWSA-N 284.286 3.508 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]3CCC[C@H]32)cc1 245556192 IVTZHNYOHHRNNX-UWWQBHOKSA-N 284.403 3.742 30 20 CHED Cc1ccc(C#N)c(N2CC[C@H](c3ccccc3)[C@H]2C)n1 245759919 PUVWDYIDFLWIGQ-PBHICJAKSA-N 277.371 3.644 30 20 CHED C=CCOCCCN(C)Cc1ccc(Cl)c(F)c1 348038490 BZCBUGUGMUEFPB-UHFFFAOYSA-N 271.763 3.504 30 20 CHED C=C(CNC(=O)c1ccc2ccccc2n1)c1ccccc1 345731667 SVAUAIJICRPLNO-UHFFFAOYSA-N 288.350 3.678 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H]1C1CCC1 432563878 WXDDYNVUZWUXCK-CQSZACIVSA-N 264.413 3.563 30 20 CHED C=CCN(C(=O)c1cc(F)c2ccccc2c1)C1CC1 345206790 IGOKJISJMIPDPC-UHFFFAOYSA-N 269.319 3.770 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H](C)c1ccccc1 249137862 XDSHPPOWCAXLSO-JJRVBVJISA-N 259.393 3.897 30 20 CHED C[C@H](Nc1ccc2c(c1)ncn2C)c1ccc(C#N)cc1 348810483 RUQYPOYZOFGPND-LBPRGKRZSA-N 276.343 3.618 30 20 CHED CC[C@H](NC[C@@H](C)CCC#N)c1cc(F)ccc1F 602550356 AXZVIEDIMHOFJA-NHYWBVRUSA-N 266.335 3.945 30 20 CHED CCN(CCC#N)[C@H](C)c1ncc(-c2ccccc2)o1 348543527 KFGJKPDEYSRSKU-CYBMUJFWSA-N 269.348 3.638 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCC[C@H](CC)C2)cc1 607077829 SAZFILQJINYFLQ-HOCLYGCPSA-N 287.403 3.950 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CCCC2CCCC2)C1 525197172 URLMCTHRASBHOA-YOEHRIQHSA-N 276.424 3.936 30 20 CHED CCCCCC(=O)Nc1cc(C#N)ccc1NCC 346929643 HJCDZGBBMAKALK-UHFFFAOYSA-N 259.353 3.509 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 523567341 XSKZQHRLXBLUJI-OEUWWYETSA-N 299.418 3.743 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1cc(F)ccc1C#N 345773272 PJNFTIQEGKGPRL-ZDUSSCGKSA-N 280.346 3.644 30 20 CHED O=C(/C=C\c1ccccc1Cl)c1cc(O)cc(O)c1 255717003 GADJYEAXZGHWAC-WAYWQWQTSA-N 274.703 3.647 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)[C@H](c1ccccc1)N(C)C 449253724 ZOVDWWANJPQVQB-WEOZKBJRSA-N 299.462 3.740 30 20 CHED N#Cc1ccc(Sc2nc(C(F)(F)F)ns2)cc1 341703024 QCFBPPKCTMZOID-UHFFFAOYSA-N 287.291 3.580 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@H](C#N)C(C)C 343677318 UCSFHNFPTLEQQU-IIAWOOMASA-N 284.403 3.640 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SCc1ccno1 522964186 AYSPWILKYRPZGR-UHFFFAOYSA-N 293.351 3.901 30 20 CHED CCCC[C@@H](CC)CC(=O)N(CCC#N)C(C)C 609762248 FSSSFPTUZMUULJ-CQSZACIVSA-N 252.402 3.744 30 20 CHED C=CCN(CCC#N)Cc1c(F)ccc(F)c1Cl 600161729 MCMCJRWWEIMSQS-UHFFFAOYSA-N 270.710 3.520 30 20 CHED COc1ccc(/C=C\C(=O)c2sccc2C)cc1O 255429487 AXOQRUVJXNKHCO-HYXAFXHYSA-N 274.341 3.667 30 20 CHED C=CCCCSCCOc1ccc(C#N)cc1OC 354532037 UBDMOUZHDOZVBO-UHFFFAOYSA-N 277.389 3.645 30 20 CHED C[C@@H](c1ccccc1)N1CCC(NC[C@H](C)CCC#N)CC1 602553888 XNADGYBTCAQNPL-SJORKVTESA-N 299.462 3.741 30 20 CHED CC1CC(C#N)(C(=O)N2CCC(C)(c3ccccc3)CC2)C1 533119344 IPVIWMJNRRDABM-UHFFFAOYSA-N 296.414 3.507 30 20 CHED C=C(CC)CN1CCC[C@@H](Oc2ccccc2OC)C1 353285487 YMUSRVMNQDKPSI-OAHLLOKOSA-N 275.392 3.505 30 20 CHED C=CCCOCCNCc1cc2ccccc2cc1OC 449203459 HNDUBVAUPOAQAX-UHFFFAOYSA-N 285.387 3.531 30 20 CHED CC(C)N(CCC#N)Cc1csc(Br)c1 535077187 SDHWMHLVIHMNGN-UHFFFAOYSA-N 287.226 3.635 30 20 CHED N#Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1Cl 537167645 WTMQBGVIXVPYEL-UHFFFAOYSA-N 292.672 3.742 30 20 CHED COc1ccccc1[C@H](NC[C@H](C)CCC#N)c1ccco1 602591236 XRILYLFVPPAGCV-KDOFPFPSSA-N 298.386 3.907 30 20 CHED C=CCC[C@H](NCc1ccncc1OCC(F)F)C1CC1 442870483 DCOXTQRYIBODEH-AWEZNQCLSA-N 296.361 3.560 30 20 CHED COc1cc(-c2nc3cc(F)ccc3s2)ccc1C#N 443038383 QCEBMCGONVYTCX-UHFFFAOYSA-N 284.315 3.983 30 20 CHED N#Cc1cccnc1Nc1cnn(-c2ccc(Cl)cc2)c1 355754123 ZKLSFTCXABKTMR-UHFFFAOYSA-N 295.733 3.536 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CCCC1 449592803 ZAAVYDGTNDVTKX-JKSUJKDBSA-N 292.467 3.502 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)c1cc(C#N)cs1)C1CC1 267607021 GNBKHRKWZUYUQC-LBPRGKRZSA-N 296.395 3.986 30 20 CHED CC(C)C[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)CCO1 539594794 ALXONHNLSSBHGL-QWHCGFSZSA-N 276.355 3.703 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(OCC(F)F)c1 351821675 TUPLDDPYVAQFOI-OAHLLOKOSA-N 296.317 3.517 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(SC)c(OC)c1 358321892 SIGMCTBFOKRLHB-WDEREUQCSA-N 251.395 3.642 30 20 CHED CC(=O)/C=C/c1cc(Cl)ccc1Br 85220524 IGVCCSMTGBXFEL-NSCUHMNNSA-N 259.530 3.705 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC 539428442 JLMOIOKQBIEFKL-WBVHZDCISA-N 288.435 3.540 30 20 CHED C=CCOCc1nc(-c2ccc(SCC)cc2)no1 445756707 CPFCIBKGSMUQRQ-UHFFFAOYSA-N 276.361 3.551 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](CC)Cc1ccc(F)cc1 617168047 RTRGKPYFVSDNIL-HNNXBMFYSA-N 277.383 3.865 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1cc2ccc(F)cc2s1 610659916 HLKFFILIYMCAKR-ZDUSSCGKSA-N 290.363 3.708 30 20 CHED CC(C)(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 356991272 KZFIXGBYRJAMHN-UHFFFAOYSA-N 295.342 3.730 30 20 CHED CC(C)c1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)on1 611465699 DPWSPLBUFJVZOZ-LLVKDONJSA-N 287.338 3.660 30 20 CHED C=CCC[C@@H](NC(=O)NCC(C)(C)C#N)c1ccccc1 354555674 WJMINWIMQAXNQW-OAHLLOKOSA-N 285.391 3.543 30 20 CHED CC(C)(CCNC(=O)c1cc(C#N)cs1)c1ccccc1 610614075 ZOOOVNMUWPJOQR-UHFFFAOYSA-N 298.411 3.717 30 20 CHED Cn1cc(/C=C\c2nc(C(C)(C)C)cs2)cc1C#N 453026904 NPXKMCUFIRLKDO-WAYWQWQTSA-N 271.389 3.821 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc([C@H]2CC2(C)C)no1 361020995 BWNOXQDKGCECCF-ZWNOBZJWSA-N 267.332 3.607 30 20 CHED C=CCCNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 617615899 BGWHSADHYSOZHC-LLVKDONJSA-N 285.309 3.891 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCc2csc(C)n2)c1 456975243 YOFKBZOGZYDPKY-UHFFFAOYSA-N 299.399 3.593 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2sccc2Cl)C1 617778566 JQWRCHSDVJYLTL-SNVBAGLBSA-N 269.797 3.830 30 20 CHED CC(C)C[C@@H](CCO)CNc1cccc(Cl)c1C#N 450364178 LZJNHBYXYIHDSN-GFCCVEGCSA-N 280.799 3.668 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(COC(C)(C)C)cc1 618674302 VSMURGGHLHMBMQ-UHFFFAOYSA-N 288.391 3.880 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(-c2ccco2)s1 610799088 DTMOZNRQFCDPIL-NSHDSACASA-N 288.372 3.630 30 20 CHED N#Cc1ccc(COc2cccc(F)c2)c(OC(F)F)c1 530995044 OGXOPXLOHDCKPC-UHFFFAOYSA-N 293.244 3.878 30 20 CHED CC(C)(CCC#N)CNc1cccc(CN2CCCC2=O)c1 610270718 YEYDBQPJMHBBAL-UHFFFAOYSA-N 299.418 3.551 30 20 CHED CC(C)[C@@H](CC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612241222 WWXCKUWCYHTXKJ-MJGOQNOKSA-N 298.430 3.969 30 20 CHED C=CCN(CCC#N)[C@H](C)c1ccc2c(c1)CCC2 459493133 OSVVYSRGBGZGLG-CQSZACIVSA-N 254.377 3.638 30 20 CHED CC1(C)CCC[C@H]1NCc1ccc(C#N)c(Cl)c1 619754484 AQONKYCRVDPMAQ-CQSZACIVSA-N 262.784 3.880 30 20 CHED CS[C@@H](CN=c1ccc2cc(C#N)ccc2[nH]1)C(C)(C)C 541275917 FMKUPGOOJDYRBZ-HNNXBMFYSA-N 299.443 3.718 30 20 CHED C=CCC1(C(=O)N2CCS[C@H](C)CC2)CCCCC1 451176897 SISHKUAQPHYMAW-CQSZACIVSA-N 281.465 3.867 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cncs2)CCCCC1 450965331 WZEIZGDOOQZIOZ-LBPRGKRZSA-N 278.421 3.847 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 455326088 OGNFFHVADCHXAQ-NVXWUHKLSA-N 286.419 3.849 30 20 CHED C=CCN(C(=O)Cc1cccc2ccc(OC)cc12)C1CC1 271602157 YNFHNESWAVLEME-UHFFFAOYSA-N 295.382 3.568 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc(C2CC2)ccc1F 452302705 GLQWLIZJBZBSDR-UHFFFAOYSA-N 275.367 3.922 30 20 CHED C=CCC1(NC(=O)c2cc3nc(C)ccc3o2)CCCC1 619104756 VGRSNHAIJUTVLZ-UHFFFAOYSA-N 284.359 3.755 30 20 CHED CC(C)CCSc1cccc(C#N)c1[N+](=O)[O-] 450359165 FEQUITUFPYYUEX-UHFFFAOYSA-N 250.323 3.605 30 20 CHED Cc1ccccc1C1CC(NCC2(CC#N)CC2)C1 366831147 SMCMKGGQSZYDCC-UHFFFAOYSA-N 254.377 3.525 30 20 CHED CC(C)(CCC#N)CNC1CC(OCc2ccccc2)C1 364924999 SKWIMFANLHOKFX-UHFFFAOYSA-N 286.419 3.654 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)Sc1ccccc1Cl 362598113 BKPZODBGYCIEKO-ZJUUUORDSA-N 269.797 3.511 30 20 CHED Cc1nc(C)c(C[S@](=O)CCCCC(C)(C)C#N)s1 277994524 UNYAPTDYZOHGNV-LJQANCHMSA-N 298.477 3.729 30 20 CHED CC(C)Oc1ccc(NC(=O)NCCCC#N)c(Cl)c1 275494464 RIVDJNYOFHHBSB-UHFFFAOYSA-N 295.770 3.552 30 20 CHED C=CCCCCN[C@H](C)c1cc(OC)c(OC)c(OC)c1 274597038 OQJMAKAECHZPFC-CYBMUJFWSA-N 293.407 3.719 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2ccccc2C)no1 273735247 OAGDJZGOKHIXHV-CYBMUJFWSA-N 272.348 3.623 30 20 CHED C=CCC1(NCCCc2ccncc2)CCCCC1 625935280 UDLXLCRFBZNJQK-UHFFFAOYSA-N 258.409 3.883 30 20 CHED C=CCC1(C(=O)NCC2(SC)CC2)CCCCC1 451265836 DBRASEILYVYNFC-UHFFFAOYSA-N 267.438 3.525 30 20 CHED CC[C@H](C)c1cc(C(=O)Nc2cccc(CC#N)c2)on1 456740428 WQOSFGDFUGWXPI-NSHDSACASA-N 283.331 3.506 30 20 CHED C=CCSCCN[C@H](C)c1ccc(SC)c(OC)c1 271452197 IIVQFKVVLQAYGC-GFCCVEGCSA-N 297.489 3.987 30 20 CHED C=CCC(C)(C)CNCC1=Cc2ccccc2OC1 549828574 PBJVIDZMXVOXKB-UHFFFAOYSA-N 257.377 3.654 30 20 CHED CCN(CCN1CCC(C)CC1)[C@@H](C)c1ccc(C#N)cc1 465396286 SAXAGHOYNJTNFF-KRWDZBQOSA-N 299.462 3.673 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@@H](C)CCC)c1ccccc1 270361623 RNBLSFSRICBTPU-HOCLYGCPSA-N 272.392 3.581 30 20 CHED C=C[C@H](C)NC(=O)N(Cc1cccc(C)c1)CC(C)C 464757684 OXXCZCIMRAQMKE-HNNXBMFYSA-N 274.408 3.737 30 20 CHED Cc1ccnc(NCc2ncc(-c3ccccc3)o2)c1C#N 541350010 HNHZCJFGULDRQG-UHFFFAOYSA-N 290.326 3.529 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]2Cc2ccccc2)c1 466479157 QORQVGADSNRTMZ-LSDHHAIUSA-N 293.326 3.510 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)c(C#N)c1 463650792 RJQHDSXZWYKRMY-MFKMUULPSA-N 298.308 3.947 30 20 CHED C=CCCOCCCCC(=O)N(C)c1ccccc1C 623011645 RZXZVZUTBJNWBN-UHFFFAOYSA-N 275.392 3.721 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@H]1CCCCS1 158201500 DQSLFDTZPGSZIL-GFCCVEGCSA-N 266.797 3.909 30 20 CHED Cc1nsc(N2CCC[C@H]2c2ccsc2)c1C#N 286248179 VAIIAFMDUWWHHR-LBPRGKRZSA-N 275.402 3.726 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c2c(nc3ccccc13)CCC2 466539540 LVGXRRBMYKJRBY-CYBMUJFWSA-N 294.398 3.808 30 20 CHED C#CCCCC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 288433369 OLTWGMLTDVCXDD-RDJZCZTQSA-N 269.388 3.790 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1 466444063 QJQMDYMLUHQEJQ-MJGOQNOKSA-N 299.414 3.525 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCC[C@H]1CCC(C)C 555819982 FUISWMLYQSDSPA-JKSUJKDBSA-N 299.418 3.596 30 20 CHED CC(C)(C)c1cnc(/C=C/c2ccncc2C#N)s1 285007084 HFNITGIVMYNCTA-SNAWJCMRSA-N 269.373 3.878 30 20 CHED C=C[C@H](C)NC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 465117549 HUPBBTWRFRPUGP-PCODUJHASA-N 283.415 3.726 30 20 CHED C=C[C@H](Cc1nc(Cc2cccnc2)no1)c1ccccc1 556309014 NMNNIUUUHYLJCM-OAHLLOKOSA-N 291.354 3.568 30 20 CHED CC(C)C[C@@H]1CCCN(c2c(C#N)nnc3ccccc23)C1 469207471 VZYBNEWJCGTFHR-AWEZNQCLSA-N 294.402 3.764 30 20 CHED C=CC[C@@H](CC)NCc1cc(OC)c(OCC)c(OC)c1 281243697 FOSADHUXWNHNRJ-CQSZACIVSA-N 293.407 3.547 30 20 CHED C=C(C)COc1cc(CN[C@H]2CCC[C@H]2F)ccc1OC 559358643 LRCBUKMIZRQKDY-CABCVRRESA-N 293.382 3.630 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](c1ccccc1)C1CC1 281531573 XRWOPYJPTDUNFN-JKSUJKDBSA-N 257.377 3.651 30 20 CHED C=CCOc1cccc(CN[C@@H]2CC(C)(C)OC2(C)C)c1 478263394 WFAZQSXRDODHED-MRXNPFEDSA-N 289.419 3.687 30 20 CHED CCOc1ccccc1-c1noc(-c2ccc(C#N)cc2)n1 389031413 OKWPHDUXXCRUOW-UHFFFAOYSA-N 291.310 3.674 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)CCCc1ccccc1Cl 291556281 VGFYLKNSUZEBGG-AWEZNQCLSA-N 292.810 3.717 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 471674044 NZECTZYCGIEFKI-RYUDHWBXSA-N 297.320 3.680 30 20 CHED C#CCCCCCC(=O)Nc1cc(Cl)c(O)cc1F 805261335 XCTHOOOEJXBPFG-UHFFFAOYSA-N 283.730 3.707 30 20 CHED C#CC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 803613406 YRRRPKJOHIWEKS-LSDHHAIUSA-N 275.779 3.506 30 20 CHED CC[C@H](C)CCC(=O)O[C@@H](C#N)C1CCCCC1 802799855 HZFOSSGAXKECEN-JSGCOSHPSA-N 251.370 3.828 30 20 CHED C[C@H](NC(=O)CCCC#N)c1cccc(Cl)c1Cl 291622969 FPGONUMGFQUPJN-VIFPVBQESA-N 285.174 3.864 30 20 CHED Cc1cc(Cl)c(NC(=O)NCCCCC#N)cc1C 297358040 JTQMWKPXHVWSSC-UHFFFAOYSA-N 279.771 3.772 30 20 CHED CC1(C)CCCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 474095263 HROREYWTPZISGX-UHFFFAOYSA-N 296.414 3.629 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CCS[C@@H]1C)c1ccccc1 648679924 VBEHLXKTCFEANJ-VNQPRFMTSA-N 289.444 3.747 30 20 CHED C#C[C@H](NCc1ncc(-c2ccccc2)s1)C(C)(C)C 809782631 AXWNYCABCHSDHX-HNNXBMFYSA-N 284.428 3.948 30 20 CHED C#C[C@@H](NC(=O)c1scnc1C1CCCC1)C(C)(C)C 807882204 XLJJXTHKNQWJTF-GFCCVEGCSA-N 290.432 3.578 30 20 CHED C=CCCCCN[C@@H](C)CCc1n[nH]c2ccccc12 471598083 IRWMODLARQXNHP-AWEZNQCLSA-N 271.408 3.830 30 20 CHED C=C(CNC(=S)Nc1ccc(C)cc1)c1ccccc1 806595145 RIVGTGDMQHNNFD-UHFFFAOYSA-N 282.412 3.995 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)oc1C 562635553 ZUSXFEGZBHHOEJ-WFASDCNBSA-N 274.364 3.548 30 20 CHED CSc1ccc(NC[C@@H](C#N)CCC#N)cc1Cl 563529649 BWARFQAPIJLMKY-SNVBAGLBSA-N 279.796 3.917 30 20 CHED CC/C=C\CCOC(=O)c1cc(C#N)ccc1Cl 803831048 AYDSMHAAHFJWDB-ARJAWSKDSA-N 263.724 3.725 30 20 CHED CC[C@H](C)CCC(=O)OCc1ccc(F)cc1C#N 803879581 CMLBFWQBCGSXKW-NSHDSACASA-N 263.312 3.567 30 20 CHED CC#CCN(C)C(=O)C(C)(C)CCCc1ccccc1 647541365 VGKROUKRNITRCM-UHFFFAOYSA-N 271.404 3.517 30 20 CHED C=CCCCCNc1cccc([C@@H](C)N2CCOCC2)c1 567073996 OLRWVCZPIJCPFP-MRXNPFEDSA-N 288.435 3.848 30 20 CHED N#CCn1c(/C=C\c2cccnc2Cl)nc2ccccc21 806563060 RYFUJDKTUJBSLX-FPLPWBNLSA-N 294.745 3.779 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 472532713 KAASDUXANXLQCI-NOLJZWGESA-N 290.382 3.726 30 20 CHED N#CCCC1CCN(CCOC2CCCCCC2)CC1 563068723 PLYWZBARCGNMQW-UHFFFAOYSA-N 278.440 3.742 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl 806266006 UJZCMOGPGOHJDE-SSDOTTSWSA-N 290.672 3.502 30 20 CHED N#Cc1ccc(/C=C/c2nc(C3CCSCC3)no2)cc1 562477031 ZJYZGCPPNCJPHE-AATRIKPKSA-N 297.383 3.722 30 20 CHED C=C(C)[C@H](CC(=O)N(C)Cc1cccc(C)c1C)OCC 566624597 GOHKEOHEZSJWBO-KRWDZBQOSA-N 289.419 3.633 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 648452439 WZUWODQPVYWPGX-YOEHRIQHSA-N 285.387 3.656 30 20 CHED CC(C)C[C@@H]1CCCC(=NNC[C@@H]2CCSC2)C1 811660215 JERFUQIKTYESFH-KBPBESRZSA-N 268.470 3.921 30 20 CHED CC(=NOC1CCC1)c1ccc(Cl)c([N+](=O)[O-])c1 812236125 WYXHFCAZBYYAAW-UHFFFAOYSA-N 268.700 3.541 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(C(=O)O)ccc1C 398198794 DPXYHVMJBHTNJX-GFCCVEGCSA-N 290.363 3.560 30 20 CHED Cc1nc(N(C)[C@H](C)c2cc(F)ccc2F)ccc1C#N 488055409 IREJRDSNOZXSMC-LLVKDONJSA-N 287.313 3.737 30 20 CHED CCC(=NNCc1cccc(Cl)c1)c1ccc(F)cn1 814867378 BMXKYFCZXFPQFY-UHFFFAOYSA-N 291.757 3.778 30 20 CHED Cc1cc(C)c2c(c1)CN(Cc1ccc(C#N)s1)CC2 485701881 MDIDGALZBILYIK-UHFFFAOYSA-N 282.412 3.795 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 566050385 NFTXIKDKAARYOP-TZMCWYRMSA-N 298.777 3.750 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CCCSC2)C(C)C)c1 812973412 XRTNLECRGNLBEM-HNNXBMFYSA-N 287.428 3.553 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccc(Cl)nc1 814859418 UBQATTNFOKAZLH-LLVKDONJSA-N 276.771 3.853 30 20 CHED CC(=NNc1cc(C)ccn1)c1nccc2ccccc12 811644074 POGWZPXOWVRBRU-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CCc1ccc(C(C)=NN[C@@H](C)c2ccncc2)cc1 819816158 XZDDYCPQMMYZGZ-AWEZNQCLSA-N 267.376 3.719 30 20 CHED C=CCCCCOC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 811011411 VZPCBMLWFRFBOR-CQSZACIVSA-N 290.359 3.556 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 486782482 VIWCHLKFFPCPDT-ZDUSSCGKSA-N 289.766 3.784 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1Cl 574290875 VRZFPIQQQDBKFO-LLVKDONJSA-N 280.799 3.939 30 20 CHED CC[C@H](O)CNN=C(C)c1ccccc1SC(C)(C)C 811654221 NMXVRSVNNBWOOM-ZDUSSCGKSA-N 294.464 3.662 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cc(CC)ccn2)no1 570886465 VVCMMBRACRHULV-OAHLLOKOSA-N 257.337 3.548 30 20 CHED Cc1cnc(COc2ccc(C(F)(F)F)c(C#N)c2)s1 810020598 VOPYTSZGYCXARP-UHFFFAOYSA-N 298.289 3.921 30 20 CHED Cc1cc(Br)ccc1NN=Cc1nccs1 814836186 KSWJKLROEGJCGC-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CCCCCCCCNC(=O)CCc1cncs1 814413109 AIULUNLRILSVSB-UHFFFAOYSA-N 268.426 3.552 30 20 CHED C=CCCN(C)Cc1ccc(OCc2ccccc2)nc1 653636196 VSEAXGJWDVYGLQ-UHFFFAOYSA-N 282.387 3.669 30 20 CHED Clc1ccc(Cl)c(NN=Cc2nccs2)c1 814860474 HIMDHKQZHQBPJG-UHFFFAOYSA-N 272.160 3.896 30 20 CHED C#CC[C@@H](OC(=O)c1ccc2c(c1)CCCC2=O)C(C)(C)C 816019433 KQEAWHQWWHRRAG-QGZVFWFLSA-N 298.382 3.800 30 20 CHED CC(C)n1cc([C@H](C)NC2CCC(C)(C#N)CC2)cn1 579915002 RQTUQELAZWMLMG-JEYLPNPQSA-N 274.412 3.587 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)CCCCC)c1 726435587 DZEVUCGVFCHKFI-ZDUSSCGKSA-N 274.433 3.923 30 20 CHED C=CC[C@H](C)[C@@H](C)NCC(C)(C)c1ncccc1C 571814114 MTMDIBYMJKERJQ-DZGCQCFKSA-N 260.425 3.858 30 20 CHED O=C(C#Cc1cccs1)N1CCCCC[C@H]1c1ccco1 826096031 WLTXJKHFIXXMDA-HNNXBMFYSA-N 299.395 3.837 30 20 CHED C=CCCSCCNCc1cc(Cl)cc(F)c1O 826915146 DPHGQQJTKKMHKE-UHFFFAOYSA-N 289.803 3.584 30 20 CHED CCN(C(=O)C(C)=C1CCC1)[C@H](C)c1ccc(C#N)cc1 825393611 IHVIYZZAMAVVNK-CQSZACIVSA-N 282.387 3.968 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1/N=C\c1ccc(O)c(O)c1O 727781500 OOQWBAMKXVRBRO-XDNFDDDSSA-N 291.391 3.827 30 20 CHED C=CCN(C)CC(=O)Nc1cccc(Oc2ccccc2)c1 494702800 KJCZACZMVZRFIZ-UHFFFAOYSA-N 296.370 3.535 30 20 CHED C=CCN(C(=O)N[C@H](CC)C1CCCCC1)C(C)C 726270015 WVZPREFUIFLFPH-OAHLLOKOSA-N 266.429 3.951 30 20 CHED CCc1nocc1CSCc1ccccc1C#N 578337862 UHAGAJXXGOKMQG-UHFFFAOYSA-N 258.346 3.542 30 20 CHED CC(C)c1ccc(C=NNC2CCCC2)cc1[N+](=O)[O-] 727652687 UWGVWGFVLMCLLO-UHFFFAOYSA-N 275.352 3.584 30 20 CHED CCCn1cccc1C=NNc1cccc2cnccc12 728433106 RRDHJUJVKSJVNF-UHFFFAOYSA-N 278.359 3.892 30 20 CHED C=CCCCC[C@@H](C)NCC[C@@H](O)c1ccccc1 824390003 YPVPRQIUMQKDOJ-NVXWUHKLSA-N 261.409 3.835 30 20 CHED Cc1cc(C#N)nc(N2C[C@H](C)CC[C@H]2c2ccccc2)n1 588071856 HMKXBOHOFVFXQV-DYVFJYSZSA-N 292.386 3.634 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc(N2CCNC2=O)c1C 494478159 UZSOYNUECQYAKH-JSGCOSHPSA-N 287.407 3.537 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2nsc3ccccc23)C1 905929259 NPQFIZNZHCKKSD-QWRGUYRKSA-N 286.356 3.535 30 20 CHED N#Cc1ccc(C(=O)N2CCC3(CCC3)CC2)cc1Cl 586828552 CQNNSSCUKCUNOH-UHFFFAOYSA-N 288.778 3.618 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)N(C)c1ccccc1 821563346 OIBCLOSRFRTKHM-UHFFFAOYSA-N 298.317 3.506 30 20 CHED C#CCOc1cccc(NC(=O)CCc2ccccc2C)c1 730978324 NKZSGZDNHKOCSG-UHFFFAOYSA-N 293.366 3.578 30 20 CHED C=CCCC(=O)NC1(c2cccc(C)c2)CCCC1 589402803 DZUYFDIWTJRRFY-UHFFFAOYSA-N 257.377 3.847 30 20 CHED CCCCSCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 733258618 GTWQJOKZXAHDCK-CYBMUJFWSA-N 296.823 3.554 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 733083427 RCMKYOMKUKLNTC-XJKCOSOUSA-N 286.444 3.779 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)CC(C)(C)C#N 497045759 FOLSQMOOZLPCEN-UONOGXRCSA-N 264.413 3.647 30 20 CHED C=CCCCS[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)O)c1C 736102636 SKNLCFUPAXKSBM-NSHDSACASA-N 295.404 3.600 30 20 CHED CCSc1cccnc1C(=O)OCCCC(C)(C)C#N 838303604 QFPYPFSNTZOJNR-UHFFFAOYSA-N 292.404 3.680 30 20 CHED C=C(C)COc1cccc(N[C@H](C(=O)O)c2ccccc2)c1 736094562 MNLBFBQVKFJZHF-KRWDZBQOSA-N 297.354 3.879 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cc(F)ccc1F 664007521 PLLSDMULPYOUGB-UHFFFAOYSA-N 282.334 3.509 30 20 CHED COc1cc(F)cc(/C=C/C(=O)c2cnn(C(C)C)c2)c1 834420789 LATCQYWVDCGZEH-SNAWJCMRSA-N 288.322 3.508 30 20 CHED C[C@H](C#N)OC(=O)CC1CCC(c2ccccc2)CC1 731097380 ATWLBQUMYUJWEM-VQCLRJIVSA-N 271.360 3.806 30 20 CHED C#CCOc1ccccc1OCCCOc1ccccc1 730566718 AQXHEUKWLCILMQ-UHFFFAOYSA-N 282.339 3.547 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H](C)c1cn(C)c2ccccc12 839042399 KZQPWTGUAZNILD-UONOGXRCSA-N 283.371 3.627 30 20 CHED C=CC(C)(C)COC(=O)Cc1nc(-c2ccccc2)oc1C 835724156 HOUDFICXHFCMJN-UHFFFAOYSA-N 299.370 3.948 30 20 CHED N#CCCCCCC(=O)NCc1csc2ccccc12 588151750 SAJNMAPLCUYFNT-UHFFFAOYSA-N 286.400 3.992 30 20 CHED C#C[C@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(C)C 836785451 PFOFRARLDOCVBJ-RISCZKNCSA-N 297.320 3.740 30 20 CHED CC[C@@H](C)[C@@H](C(=O)Nc1cccc(C#N)n1)c1ccccc1 583754250 FDRHMZKKVVLDBZ-CXAGYDPISA-N 293.370 3.722 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(Cl)ccc2c1CCO2 904992397 CPZWEGCKGLIJCO-JTQLQIEISA-N 279.767 3.816 30 20 CHED C#CC[C@@H](N[C@@H](CC)c1ccncc1)c1ccccc1 834692476 CBTOANHEYUQARY-ZWKOTPCHSA-N 264.372 3.887 30 20 CHED C=CC1CCN(C(=S)Nc2ccc(C)cc2)CC1 731941779 BBXQUHCMELPKMJ-UHFFFAOYSA-N 260.406 3.590 30 20 CHED Cc1cc(NN=Cc2ccc(C(C)(C)C)cc2)nc(C)n1 915970900 RXUMABXLAQWOFB-UHFFFAOYSA-N 282.391 3.837 30 20 CHED CCC#C[C@@H](C)N1CCC(c2c[nH]c3ncccc23)CC1 677479900 UJHOLHQBBKASLK-CQSZACIVSA-N 281.403 3.544 30 20 CHED C[C@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)C1 835009888 GYZKFZPMWARYAY-VIFPVBQESA-N 264.300 3.502 30 20 CHED COc1ccc2ccccc2c1CNN=C[C@H]1C[C@@H]1C 835007133 PMZSEKGEYMMTLM-GXTWGEPZSA-N 268.360 3.580 30 20 CHED COc1cc(C)c([C@@H](C)/N=C\c2ccccc2O)cc1OC 915980664 YGKWZHRPIRCHCZ-LPXFMOJISA-N 299.370 3.898 30 20 CHED C=CCCCC(=O)Nc1cccc(SCCC(=O)O)c1 833373467 QCMFOJFHUAZLQT-UHFFFAOYSA-N 293.388 3.548 30 20 CHED CC(C)(C)c1ncc(C=NNc2ncc(F)cc2F)s1 835022927 WQBZKIXNHJJXPJ-UHFFFAOYSA-N 296.346 3.560 30 20 CHED CCC(C#N)(CC)C(=O)NCCc1ccc(Cl)c(C)c1 599954417 CDRHFGVFLKDKCF-UHFFFAOYSA-N 292.810 3.637 30 20 CHED C[C@@H]1CCCN(c2ccccc2OCC2(CC#N)CC2)C1 596257784 LRXMLMSRGKYCFC-OAHLLOKOSA-N 284.403 3.996 30 20 CHED C=CCN(C(=O)c1cc2ccc(OCC)cc2[nH]1)C(C)C 918701570 XBQOSTQUSSQYGK-UHFFFAOYSA-N 286.375 3.603 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)cc1)c1cccc(OC)c1 741135523 LZCVGTDBSBJXDO-KRWDZBQOSA-N 295.338 3.875 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1coc2ccccc12 747737091 UZICFMFOPMEFOB-UHFFFAOYSA-N 294.310 3.967 30 20 CHED CN(c1ccccc1)[C@@H]1CCN(CC(C)(C)CCC#N)C1 597225158 ZUBMITNOXMOPIH-QGZVFWFLSA-N 285.435 3.527 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc(C(C)C)nc2ccccc12 594097434 KUSIRGFGJMXEQB-ZDUSSCGKSA-N 295.386 3.732 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(C)c2ccc(C#N)cc2F)C[C@H]1C 590982133 RNIDXCIWMDWEON-YRGRVCCFSA-N 288.366 3.732 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc2c(c1)CC(=O)N2 915950758 SIQPSFQXMKAKNC-UHFFFAOYSA-N 293.370 3.634 30 20 CHED Cc1ccc(C#N)nc1NC[C@@H]1CCCO[C@H]1C(C)(C)C 596130118 MIMHEKPRSSFQOL-DZGCQCFKSA-N 287.407 3.515 30 20 CHED C=CCCSCCNC(=O)Nc1ccc2occc2c1 599905995 VUJBVCNTJVOPPV-UHFFFAOYSA-N 290.388 3.864 30 20 CHED C#C[C@@H](OC(=O)CCCC(F)(F)F)c1ccccc1 842391397 MXMBMYQPFGCCND-GFCCVEGCSA-N 270.250 3.637 30 20 CHED CC(=NOCc1cccnc1)c1cccc(OC(F)F)c1 746588454 NJIKENVKPRUKPF-UHFFFAOYSA-N 292.285 3.624 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2cc(C)ccn2)cc1 918756774 PAWQIDZMFVJXII-OAHLLOKOSA-N 268.385 3.925 30 20 CHED COc1ccc(-c2cccs2)cc1C1(C#N)CC1 592986286 YXCALVBKVBKAMO-UHFFFAOYSA-N 255.342 3.979 30 20 CHED C=CCC[C@H](NCc1ccc(N(C)C)c(F)c1)C1CC1 747867271 WLOYBYGXDGFAGJ-INIZCTEOSA-N 276.399 3.726 30 20 CHED CC[C@H](SC)C(=O)OCCC1(C#N)CCCCC1 840340956 IJZWZMKZHNZDGB-LBPRGKRZSA-N 269.410 3.535 30 20 CHED C=C[C@H](C)ONC(=O)CC1(CSc2ccccc2)CC1 846551276 ZCUOTBZWBYYXEJ-ZDUSSCGKSA-N 291.416 3.571 30 20 CHED Fc1ccccc1NN=C1CSCc2ccccc21 915958128 NXEJIUMCEAVYOR-UHFFFAOYSA-N 272.348 3.889 30 20 CHED CC[C@@H](CC#N)OC(=O)CCCc1c(F)cccc1F 847691261 DPVFLTSGCUVUCH-NSHDSACASA-N 281.302 3.523 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)c1 749785778 LEIHWABACSZCRE-UKRRQHHQSA-N 255.361 3.823 30 20 CHED Cc1csc([C@H](NCCc2ccc(C#N)cc2)C2CC2)n1 595425496 SLKRNRNRPZRSEB-MRXNPFEDSA-N 297.427 3.607 30 20 CHED C#CCCCC(=O)NCCCc1c(Cl)cccc1Cl 847192584 NPLRVHZTMSCZSC-UHFFFAOYSA-N 298.213 3.846 30 20 CHED CC(=NOCC(C)C)c1cc(Br)ccc1O 749636557 PRUXCBULQCOLFD-UHFFFAOYSA-N 286.169 3.551 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1ncc(Cl)cn1 857220919 QHBDASARXLSOAC-SNVBAGLBSA-N 286.766 3.762 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)C1CCCC1 750678430 LPNULHWGDIMPAI-OCCSQVGLSA-N 295.386 3.576 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NOCC2CCC2)C1 853441262 UTDHOKFSJMHAAL-ZDUSSCGKSA-N 281.396 3.693 30 20 CHED Cc1ccc(NN=Cc2nc(Cl)cs2)cc1 758088952 HSTSQFOCXZPOJT-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C\c2ccc3[nH]ccc3c2)C1 855438308 FJDBHXOYUDPVNK-DZFYGRHCSA-N 294.398 3.996 30 20 CHED Cc1cc(C)c(/C=C/C(=O)O[C@@H](C#N)C(C)C)cc1C 751160676 IEMYROKAELPWHZ-MOEXGYKKSA-N 271.360 3.716 30 20 CHED N#CC1(CC(=O)Oc2ccc(F)cc2)CCCCC1 850743051 MDPVIOCPLMBDJL-UHFFFAOYSA-N 261.296 3.595 30 20 CHED CCN(C[C@@H](C)C#N)C(=S)Nc1cccc(C(C)C)c1 920995148 SMBBOHWOZHGVCP-ZDUSSCGKSA-N 289.448 3.988 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1cc(C)sc1C 920401041 RUSUNBCFZHOSDL-UHFFFAOYSA-N 291.420 3.771 30 20 CHED CCCCCCCCNc1cc(Cl)nc(O)n1 858457904 WBWURPAUPIUUBZ-UHFFFAOYSA-N 257.765 3.608 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 926120154 UVPAJZZHMGZNSX-OWCLPIDISA-N 291.483 3.557 30 20 CHED CCc1ccc(OC(=O)c2ccc(CC#N)cc2)cc1 759753195 VXBLRUQEHHPBTO-UHFFFAOYSA-N 265.312 3.534 30 20 CHED C#CCN(CC)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 920061636 ZIUSDCYQIHHXEI-LSDHHAIUSA-N 278.440 3.504 30 20 CHED CC[C@H](/N=C\c1cc(OC)ccc1O)c1c(C)noc1C 756847446 SOMSDWGDHFLVQD-DUPVFGOHSA-N 288.347 3.576 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](c1cccs1)C1CC1 929704808 SRHYGTFAWSMPQT-MRXNPFEDSA-N 296.395 3.809 30 20 CHED C[C@@H](CSc1ccc(F)cc1)C(=O)OCCCCC#N 756288431 WBCMRCFRFUVOAO-LBPRGKRZSA-N 295.379 3.791 30 20 CHED C#CC[C@H](NC(=O)c1cc(F)c(C)cc1F)c1ccccc1 757580904 SHZNNMLZGRJIMT-KRWDZBQOSA-N 299.320 3.768 30 20 CHED CCC/C=C\C(=O)Nc1cc(C#N)ccc1NCCC 759224105 MEGAITMMVCRAAA-SREVYHEPSA-N 271.364 3.675 30 20 CHED C#Cc1ccc(NC(=O)N[C@H](C)CCCC(F)(F)F)cc1 934927564 CTWVBKSLXBJZEZ-LLVKDONJSA-N 298.308 3.911 30 20 CHED CCCCCCCNC(=O)NCC(C)(C)CCC#N 858113578 LRAJQDPJTANQKX-UHFFFAOYSA-N 267.417 3.586 30 20 CHED CCCCCCCNC(=O)[C@H](c1cccnc1)C(C)C 862356982 LHIPEJVQDQFGHA-INIZCTEOSA-N 276.424 3.908 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H](c1cccnc1)C(C)C 934323802 YTGGEKZXNPDBRO-GDBMZVCRSA-N 274.408 3.540 30 20 CHED N#CC1(CCCCN2CCC=C(Cl)C2)CCC1 930843438 UTYJJUJOEXJYLM-UHFFFAOYSA-N 252.789 3.679 30 20 CHED C#CCN(CC)C(=O)CCCc1cccc(C(F)(F)F)c1 769886302 MADSUJISSBGXGH-UHFFFAOYSA-N 297.320 3.510 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cccc(COC(C)(C)C)c1 933215574 SICGZKMIJHMJSN-CQSZACIVSA-N 288.391 3.535 30 20 CHED C#CCCCCC(=O)N[C@H](CC)CCc1ccccc1 862691148 POTOPABPGNJSNX-QGZVFWFLSA-N 271.404 3.708 30 20 CHED CCCn1nc(C)c(/C=C2/CCc3ncccc3C2=O)c1C 865227719 VIWWCMLCKKOGPN-KAMYIIQDSA-N 295.386 3.517 30 20 CHED COc1cccc(/C=N\[C@H](C)c2cccc(F)c2F)c1O 766672213 NXLYHYIHSOFEAZ-DWOMLUCJSA-N 291.297 3.859 30 20 CHED C#C[C@@H](CC)OC(=O)c1ccccc1-c1ccccc1C#N 768050707 VDMJCAAKCMXONF-HNNXBMFYSA-N 289.334 3.794 30 20 CHED C[C@@H](NC(=O)OC1CCCCC1)c1cccc(C#N)c1 866897449 CYPFKSKCNXMZBY-GFCCVEGCSA-N 272.348 3.678 30 20 CHED C#CCCN(Cc1ccc(OC(C)C)cc1)CC(F)(F)F 767901081 XINQCXQWPJQKGT-UHFFFAOYSA-N 299.336 3.861 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1ccc(C)s1 930513322 LMLYQBXHIMHXND-RYUDHWBXSA-N 251.395 3.836 30 20 CHED Cc1ccc(NC(=S)Nc2cccc(C#N)c2C)cc1 769795152 LAOURHKKKHLMTB-UHFFFAOYSA-N 281.384 3.984 30 20 CHED CC#CCCOC(=O)CCCCOc1cccc(C)c1 760287743 PWLQQZPCYHEOAB-UHFFFAOYSA-N 274.360 3.501 30 20 CHED CCCCCCCCCN(C)Cc1cnc(N)s1 768993614 WYGRBMUHRLVCLC-UHFFFAOYSA-N 269.458 3.908 30 20 CHED CC(C)[C@@H]1CCCCC1=NNC(=S)Nc1ccccn1 767805698 HPDMUUVGKZDPQJ-LBPRGKRZSA-N 290.436 3.570 30 20 CHED C[C@H](NN=Cc1c[nH]c2ccc(C#N)cc12)c1ccccc1 760252626 BUTKHKGFXLPMNV-ZDUSSCGKSA-N 288.354 3.724 30 20 CHED Clc1cc(NN=CC2([C@H]3CCCCO3)CCC2)ccn1 872387462 ALRFIIAVGFTVEK-CYBMUJFWSA-N 293.798 3.872 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1cc(C#N)c(F)cc1F 876344760 DXSSSMUBINNNKL-VIFPVBQESA-N 298.358 3.697 30 20 CHED C#CCCCCC(=O)NCc1ccc(OC2CCCC2)cc1 773291619 RBEOYPOYNKBRJD-UHFFFAOYSA-N 299.414 3.818 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](CCC)[C@@H](O)c1ccccc1 879827626 ZNSPWADHKLSONY-WBVHZDCISA-N 289.419 3.607 30 20 CHED COC(=O)c1cccc(NN=C(C)Cc2cccs2)c1 779828620 ZTVNLIMJKLOYRD-UHFFFAOYSA-N 288.372 3.565 30 20 CHED CC(C)(C#N)CC(=O)OCC1CCC(C)(C)CC1 785096603 GCKNCGPCPKNSSO-UHFFFAOYSA-N 251.370 3.686 30 20 CHED CCO[C@@H]1CC(=NOC2CCCC2)[C@@H]1Oc1ccccc1 774397981 BKFQXKJMYQBHCG-SJORKVTESA-N 289.375 3.558 30 20 CHED CCN(C(=O)Cc1ccccc1CC#N)c1cccc(C)c1 776797012 AWUHNCJKDNSQOK-UHFFFAOYSA-N 292.382 3.657 30 20 CHED C#CCCCCc1nc(C(C)(C)Cc2ccccc2)no1 771727787 KXBJCOZJFNVLNI-UHFFFAOYSA-N 282.387 3.936 30 20 CHED C=CCCCCNC(=O)/C=C\c1ccc(Cl)s1 770081732 ISUSYZLYPAFERU-CLFYSBASSA-N 269.797 3.887 30 20 CHED CC(C)CCOc1ccc(C(=O)/C=C\c2ccn(C)n2)cc1 773143859 FSRBXOKIVGZKSL-TWGQIWQCSA-N 298.386 3.741 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)c1cn(C)c2ccccc12 774116340 WBYJZNUVWDNXIU-ZDUSSCGKSA-N 271.360 3.791 30 20 CHED N#CCCCCOC(=O)C1(Cc2ccc(Cl)cc2)CC1 771182426 ZXOKITOAYJRXFN-UHFFFAOYSA-N 291.778 3.900 30 20 CHED Cc1ccsc1CC/N=C\c1cc2ccccc2nc1O 773152611 RKOLYVKKHRIITF-WQRHYEAKSA-N 296.395 3.972 30 20 CHED C=CCCCOC(=O)c1cc(C)n(C2CCCCC2)n1 776435424 ZTYBRGYAKSHRAS-UHFFFAOYSA-N 276.380 3.820 30 20 CHED C[C@@H](CC1CCCCC1)/N=C/c1ccc(O)c(O)c1O 772155586 RVOAMRQRRJDOMJ-MUOOZZNISA-N 277.364 3.581 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)s1)C1CCCCCC1 1127860379 SRFFFNMLOUBMPN-LLVKDONJSA-N 276.405 3.708 30 20 CHED CC(C)CCC(=O)N1CCC(c2ccc(C#N)cc2)CC1 887707278 FKZRUGPUUHBQRM-UHFFFAOYSA-N 284.403 3.700 30 20 CHED C=CCC1(O)CCN(CCCc2ccccc2Cl)CC1 886776422 FTFTZCMQEXLCAR-UHFFFAOYSA-N 293.838 3.676 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C)c(O)c1C 780968957 PTSNKPRCOONHBX-UHFFFAOYSA-N 259.349 3.531 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CCCc2ccccc21)c1cccc(F)n1 1122714311 JEANDOJFHDPXHV-HUUCEWRRSA-N 294.329 3.517 30 20 CHED Fc1ccc(NN=Cc2ccc3cnccc3c2)cc1 782114116 XOTNYENMFPKXQB-UHFFFAOYSA-N 265.291 3.820 30 20 CHED C#CCCCCNC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 787283350 PCBATOVZXLNPNW-AEFFLSMTSA-N 298.430 3.686 30 20 CHED CC(C)c1ccc(C(=O)OCCCC(C)(C)C#N)cn1 784301497 XRRSIDYDLCIWJU-UHFFFAOYSA-N 274.364 3.692 30 20 CHED C[C@H]1CC[C@@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 887701579 CHTLMICIOPHORV-KBXCAEBGSA-N 296.414 3.700 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Cl)c(Cl)n1 782845367 NRPNKPGCXCKPMS-UHFFFAOYSA-N 285.174 3.911 30 20 CHED N#Cc1ccc(NN=C[C@H]2CC=CCC2)cc1Cl 783877419 KEBRVSMAPOORRY-NSHDSACASA-N 259.740 3.966 30 20 CHED C=Cc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 785623311 MNAHSKJHVUTWSE-UHFFFAOYSA-N 263.296 3.558 30 20 CHED CC1(C)C[C@@H](NN=C/C=C\c2ccc(F)cc2F)CCO1 780249315 CZDOANNNXGXEEV-KUCTYPABSA-N 294.345 3.511 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)OCCCC(C)(C)C#N 784142330 MCOQFQZIUHJWLZ-AWEZNQCLSA-N 295.423 3.987 30 20 CHED CCCCCCCCCN1CCC(C(=O)OC)CC1 88211609 JXIBFTHNALXDPE-UHFFFAOYSA-N 269.429 3.622 30 20 CHED CCCCCCCC(=O)Nc1c(OC(F)F)noc1C 788110295 HITBNTVQERESBI-UHFFFAOYSA-N 290.310 3.883 30 20 CHED C#CCCCCN[C@H]1CC[C@@](C)(c2ccccc2)C1 783253041 FPLDAQJTLBRHHY-ZWKOTPCHSA-N 255.405 3.890 30 20 CHED C=C1CC(c2noc(-c3ccccc3OC(C)C)n2)C1 896877027 NGFMSOSUBKSWBB-UHFFFAOYSA-N 270.332 3.957 30 20 CHED O=C(O)c1csc(/C=C\C(=O)C2CCCCC2)c1 782201279 SEOKKGJWZIXCMF-SREVYHEPSA-N 264.346 3.609 30 20 CHED CC[C@H]1CCCC1=NNc1ccc2c(=O)[nH]ccc2c1 789071178 QHHHLGQZRKHJER-NSHDSACASA-N 269.348 3.506 30 20 CHED C=CCC1(C(=O)Nc2c(Cl)c(C)nn2C)CCCCC1 892126495 HBEKKGXWNISPPA-UHFFFAOYSA-N 295.814 3.847 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNCCC(=O)OC(C)(C)C 783869105 SZULXGHQTHAULF-QWHCGFSZSA-N 282.428 3.510 30 20 CHED C=CCN(CCC)Cc1nnc(-c2ccccc2Cl)o1 78707423 ABYMYUCWLARKQL-UHFFFAOYSA-N 291.782 3.788 30 20 CHED CCC1(C)CCC(=NNc2ccc(OC)cn2)CC1 780271542 TZHDBLDCVGSIQL-UHFFFAOYSA-N 261.369 3.848 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(C)c1snc(C)c1C#N 891424146 LDYSWNPOVHRWOO-GFCCVEGCSA-N 293.436 3.748 30 20 CHED N#Cc1cccc(Cl)c1N1CC[C@@H](c2ccccn2)C1 798416753 PVHZOEXCUUINPW-CYBMUJFWSA-N 283.762 3.601 30 20 CHED CC(C)CC[C@H](NCc1ccc(C#N)cn1)c1ccoc1 796947223 JCXJFNBYGCXPBH-KRWDZBQOSA-N 283.375 3.813 30 20 CHED C#C[C@H](NC(=O)c1cc(Cl)sc1Cl)C(C)(C)C 702250974 QEJVYKOWELHILU-QMMMGPOBSA-N 290.215 3.833 30 20 CHED C=CCCCCC[C@H](C)NCCc1cn2c(n1)CCCC2 793527190 UFGNHOSYGMKFKU-INIZCTEOSA-N 289.467 3.877 30 20 CHED C=CCCCCC[C@H](C)NCc1nncn1-c1ccccc1 793523495 IMQNZLIFOVRWIR-INIZCTEOSA-N 298.434 3.882 30 20 CHED CCCCCCCCN1C[C@H](C)OC2(CCOCC2)C1 790360156 DJTWVFWFHMQQDA-INIZCTEOSA-N 283.456 3.617 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1oc(C(C)C)nc1C 796211208 DVYRJRHSJPDLET-UHFFFAOYSA-N 298.342 3.644 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCN2CCCC[C@@H]12 793521610 CXBACIPXIXNEMH-BBWFWOEESA-N 264.457 3.728 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(N(C)C)cc2)oc1C 799898090 VESHXYPEDYMCHU-YFHOEESVSA-N 269.344 3.859 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CC(F)(F)C2)s1 797571861 WGRFQZSYGYEEMX-VIFPVBQESA-N 298.358 3.662 30 20 CHED CC(C)[C@H](C#N)OC(=O)[C@H](C)Oc1ccc2ccccc2c1 796676784 WRNQQWHJYXAEID-GUYCJALGSA-N 297.354 3.698 30 20 CHED C[C@@H](NN=Cc1ccc(OC(F)F)c(F)c1)C(C)(C)C 793117967 YLDNSALNTIDXNC-SECBINFHSA-N 288.313 3.785 30 20 CHED CC(C)CN(Cc1ccc(C#N)cn1)c1ccccc1 564342930 XBYYIZDGAJVBML-UHFFFAOYSA-N 265.360 3.616 30 20 CHED COc1ccccc1CON=C(C)c1cccc(C)c1 799116926 DBOQYUDIVGOLLZ-UHFFFAOYSA-N 269.344 3.944 30 20 CHED CC(C)[C@H](C=NOCC(F)(F)F)c1ccccc1 794524372 XQQRCCDTFUDLAB-LBPRGKRZSA-N 259.271 3.991 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1[C@H]2CCCCCC[C@H]12 1155481466 MDMDQUFUWGGNRO-KBPBESRZSA-N 297.402 3.755 30 20 CHED CCCn1ncnc1CSCCCCC(C)(C)C#N 1321025831 YRIYBLXGYOXORP-UHFFFAOYSA-N 280.441 3.641 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(CCC(N)=O)cc1 1325315294 NHAWBYKVYMJNLP-CQSZACIVSA-N 274.408 3.651 30 20 CHED Cc1cccc(CCC(=O)OCc2ccc(C#N)s2)c1 1327712293 XSXUYNTYNGOTDI-UHFFFAOYSA-N 285.368 3.604 30 20 CHED C=C(C)CCC(=O)N(C)Cc1cc(Cl)ccc1OC 1335503842 IUNXEPUJMSSZNR-UHFFFAOYSA-N 281.783 3.663 30 20 CHED C=C(C)CCC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 1335861156 FBLQKHNCFYIFCQ-NVXWUHKLSA-N 287.403 3.627 30 20 CHED C[C@@H](OC(=O)CC#Cc1ccccc1)c1cccc(C#N)c1 1256055081 ZXXBANIIGZKGDS-OAHLLOKOSA-N 289.334 3.604 30 20 CHED CC(C)(C)c1cn(CCCOc2ccc(C#N)cc2)cn1 1331889725 CQTVNHDYCUQWSQ-UHFFFAOYSA-N 283.375 3.521 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CC#Cc1ccccc1 1332982894 MVDCKVLFOWKPJZ-NXHRZFHOSA-N 281.399 3.608 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccccc1Cc1ccccc1 1337807757 IIISSDAGOISENX-OAHLLOKOSA-N 292.382 3.652 30 20 CHED CCc1cc(OCC(=O)OCCCCC#N)ccc1Cl 1337707654 SSBDTQHXRJZEIJ-UHFFFAOYSA-N 295.766 3.518 30 20 CHED CCOc1cc(Cl)ccc1C(=O)N(CC)[C@@H](C#N)CC 1337715293 CXRILWYZLCDVAP-GFCCVEGCSA-N 294.782 3.503 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H](C)OC1CCCCC1 1348751375 XASLOHSYWZSNIB-CHWSQXEVSA-N 281.396 3.596 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N1CCC[C@H]2CCC[C@H]21 1262958292 XFIXFMKIGRWFIM-GDBMZVCRSA-N 298.434 3.667 30 20 CHED Cc1cc(SCc2cn(C)nc2C(F)F)ccc1C#N 1261480730 YFBRAZNPWPBXKQ-UHFFFAOYSA-N 293.342 3.830 30 20 CHED CCCC[C@H](C(=O)O[C@@H]1CC[C@H](C#N)C1)C(C)C 1263386646 YUYCINHAGPTLKU-MJBXVCDLSA-N 251.370 3.684 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc2c(C)cccc2o1 1263483420 NIKOZACQTWPQDZ-LLVKDONJSA-N 257.289 3.590 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cccc(Cl)c2F)C1 1343923002 MFAJVXCAPTUZNJ-JQWIXIFHSA-N 266.747 3.651 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H](C)c1ccc(F)cc1 1351697168 MIGIWSYOCZEPRK-CYBMUJFWSA-N 296.345 3.839 30 20 CHED C[C@@H](C(=O)N(C)c1ccc(C#N)c(Cl)c1)c1ccco1 1438273358 XQJFCNQNIVOQBI-SNVBAGLBSA-N 288.734 3.571 30 20 CHED CC[C@@H](CC(=O)Nc1cc(C#N)c(F)cc1F)C(C)C 1288003428 QIVUSFMTOKIIOG-JTQLQIEISA-N 280.318 3.847 30 20 CHED C[C@H](CC(=O)O[C@@H](CC#N)c1ccco1)c1ccco1 1518002716 WONKMZRAKKRUHI-RISCZKNCSA-N 273.288 3.564 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 1516739800 MEMBJSXJBSBBQY-JKSUJKDBSA-N 291.366 3.518 30 20 CHED Cc1cc(SCc2c(F)cccc2F)ncc1C#N 1458411789 BHQPVAFXBXLTRX-UHFFFAOYSA-N 276.311 3.832 30 20 CHED Cc1ccc(N(C)Cc2cccc(C#N)c2F)c(C)c1 221982147 KAXBBYJPLYSHIQ-UHFFFAOYSA-N 268.335 3.951 30 20 CHED Cc1nc(C#N)cc(NC[C@H](Cc2ccccc2)C(C)C)n1 1458326624 GMUQKMAOXCWPQX-INIZCTEOSA-N 294.402 3.584 30 20 CHED C#Cc1ccc(CNCCCCCCSC)cc1 809637628 KSBLCGRDMNSQKT-UHFFFAOYSA-N 261.434 3.681 30 20 CHED N#CCc1ccc(C(=O)Nc2c(F)cccc2Cl)cc1 1522269856 RSNWQSUQEXBQQL-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CCc1ccc(C(=O)N(CC)[C@H](C#N)CC)cc1CC 1538447834 LPJLERBHBAVAMO-INIZCTEOSA-N 272.392 3.576 30 20 CHED O=C(O)c1coc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1608987209 IVEWJZDFPWTSGD-AATRIKPKSA-N 276.675 3.527 30 20 CHED CCc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H](C#N)C1)CCO2 1462051375 OAANBUJKMAXGFK-YQQAZPJKSA-N 284.403 3.745 30 20 CHED N#Cc1ccc(CN2CCc3c(C#N)cccc32)c(Cl)c1 1473568327 KZGBIZKEGLQRMU-UHFFFAOYSA-N 293.757 3.646 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)ccc1Cl 1472676315 FACQZEHZDPVYHC-DKKFBCOVSA-N 287.794 3.843 30 20 CHED Cc1ccc(NC(=O)Nc2nc(Cl)c(C#N)s2)cc1 1476724102 PPMZBCXYXRZYDH-UHFFFAOYSA-N 292.751 3.621 30 20 CHED N#Cc1cc(Sc2ncc(-c3ccccc3)o2)ccn1 1559088173 PRDFAZOHNPYYEN-UHFFFAOYSA-N 279.324 3.759 30 20 CHED CCc1csc(SCC(=O)c2cccc(C#N)c2)n1 1559447825 YAVAVFOFRDMCHF-UHFFFAOYSA-N 288.397 3.552 30 20 CHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CCC2 1559703788 OZLWVWVRZRNOEJ-PBFPGSCMSA-N 254.377 3.518 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc2c1OCC2 1621404468 LAXPQGXZMIWPSL-AWEZNQCLSA-N 292.382 3.686 30 20 CHED Cc1c(C#N)cccc1NCc1cccc2c1NCCC2 1560748207 LXQPARYLVQGMAS-UHFFFAOYSA-N 277.371 3.837 30 20 CHED CC[C@@H]1CCCC[C@H]1CNc1nccc(C)c1C#N 1639973353 XUPFVWLUKKVRLL-KGLIPLIRSA-N 257.381 3.890 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)cc1C#N 1653969813 KMXUWMSANZSAHA-ZDUSSCGKSA-N 293.345 3.762 30 20 CHED COc1ccc([C@H](C)Sc2ccnc(C#N)c2)cc1 1655035952 KBGOVFYFFMFENW-NSHDSACASA-N 270.357 3.815 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 1669820839 XPQMMGJYUNNLAD-HOSILWTGSA-N 297.402 3.813 30 20 CHED C=C(Cl)C[C@H](NCc1ccc2sccc2c1)C(=O)O 1776143305 QLQDJOGMNFVNEO-LBPRGKRZSA-N 295.791 3.587 30 20 CHED N#Cc1ccc(OC(=O)/C=C/c2ccc(Cl)s2)cc1 11327142 OHCPLWNQRAZHNW-SOFGYWHQSA-N 289.743 3.892 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1C 16031110 HQIZBWHZMYSCEJ-CQSZACIVSA-N 294.354 3.581 30 20 CHED C=CCCSCC(=O)Nc1ccccc1OC(F)F 151965119 STTMYLHSBBJWTE-UHFFFAOYSA-N 287.331 3.536 30 20 CHED CCCCCCCCCC(=O)Nc1c(C)ccn(C)c1=O 152330539 HLKJBYGPDRKAHO-UHFFFAOYSA-N 292.423 3.773 30 20 CHED CCCCCCC[S@@](=O)c1ccc(NC(C)=O)cc1 153520566 BVJCMHXTCBBBHG-IBGZPJMESA-N 281.421 3.723 30 20 CHED Cc1ccc(CNCc2ccc(C#N)cc2)c(OC(C)C)c1 153679006 UELPANIPXDDBSE-UHFFFAOYSA-N 294.398 3.944 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H](c2ccccc2)C1 155083567 ULNYFPQAFLSFSD-MRXNPFEDSA-N 256.393 3.806 30 20 CHED C=CCOc1ccc(C(=O)Nc2c(C)noc2C2CC2)cc1 156591155 ARYBBEPGJZUFFI-UHFFFAOYSA-N 298.342 3.678 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)CC1(C#N)CC1 258976828 UGLVDDIBQUEISE-UHFFFAOYSA-N 269.175 3.729 30 20 CHED CCCCCCCCNCc1cccc(S(C)(=O)=O)c1 823602973 XFJFGJNWDBRWLZ-UHFFFAOYSA-N 297.464 3.540 30 20 CHED CCCC[C@@H](CC)C(=O)N(C)c1ccccc1C#N 127475467 NHLVZAUMFRLMNA-CYBMUJFWSA-N 258.365 3.737 30 20 CHED CC1CC(CNc2c(Br)cccc2C#N)C1 1187130490 MILCZIFRPMUWEI-UHFFFAOYSA-N 279.181 3.779 30 20 CHED CN(Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1 162895795 YJCHWRBLOFVHJT-UHFFFAOYSA-N 274.726 3.987 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(OCCC)cc1 163517760 GOBDZBSUAHXAOF-OAHLLOKOSA-N 277.408 3.719 30 20 CHED N#Cc1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 40652449 MBSFCHSHQHCNBH-UHFFFAOYSA-N 285.734 3.533 30 20 CHED Cc1cccc(CCNc2nc(C)cc(C)c2C#N)c1 51670520 JXIIPJAOVJZYRO-UHFFFAOYSA-N 265.360 3.533 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1Cl 301671134 QJMSTTMXUISMOB-CFVMTHIKSA-N 276.767 3.581 30 20 CHED CC[C@@H](CNc1nccc(C)c1C#N)CC(F)(F)F 402723715 YSHDKIIBBSHAQW-SNVBAGLBSA-N 271.286 3.652 30 20 CHED Cc1nc(N2CCC[C@@H]3CCC[C@@H]32)c(Cl)cc1C#N 311523007 DIILDZXKTJUMQX-FZMZJTMJSA-N 275.783 3.684 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2cccc(CC#N)c2)C1 313455629 YANYLVLDFJSBSM-OCCSQVGLSA-N 256.349 3.517 30 20 CHED Cc1nc(N2CCC(F)(F)C[C@@H]2C)c(Cl)cc1C#N 528204813 DBBOVOFKYYMJPI-QMMMGPOBSA-N 285.725 3.539 30 20 CHED C=CCOCCN[C@@H](C)c1ccc(F)cc1C(F)(F)F 623957607 OFGLUEIHVIEFDK-JTQLQIEISA-N 291.288 3.698 30 20 CHED CC(C)c1nsc(Oc2ccc(C#N)cc2Cl)n1 92583669 SWKCVNRNWVSUCL-UHFFFAOYSA-N 279.752 3.979 30 20 CHED N#Cc1ccc(NC(=O)CC2=CCCCC2)cc1F 362300503 MPRCFPYMVXLRLR-UHFFFAOYSA-N 258.296 3.526 30 20 CHED Cc1ccc(C#N)cc1NCc1cccc(O)c1Cl 381417844 ROEHGTXRKWZQAJ-UHFFFAOYSA-N 272.735 3.838 30 20 CHED CC(=NOCc1ccccc1)c1ccc(Cl)cn1 774373268 XHYZQQSMPALNNM-UHFFFAOYSA-N 260.724 3.676 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccccc1)C1CC1 878081266 HXXRYXFCNIKSRN-UHFFFAOYSA-N 257.377 3.780 30 20 CHED COc1ccc(/C=C2\CCc3sccc3C2=O)cc1 584653807 HNKKPRAYFNKTTQ-ZRDIBKRKSA-N 270.353 3.969 30 20 CHED N#Cc1c[nH]c(C(=O)N2CCC[C@H]2c2ccccc2Cl)c1 175373511 JMXRWEIMOBJILR-HNNXBMFYSA-N 299.761 3.517 30 20 CHED CCCCCCCCCN1CCC[C@]1(C)C(=O)O 112791480 BVRXXPYYJISLPH-OAHLLOKOSA-N 255.402 3.676 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H](C)C2CC2)c1 178474170 BEBSIZYEDSGXEG-AWEZNQCLSA-N 293.366 3.840 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(C)ccc1F 104977264 MKPXTGJQMNSXDK-UHFFFAOYSA-N 250.317 3.564 30 20 CHED Cc1ccnc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1C#N 343518941 SENWLBORQONSLV-MGPQQGTHSA-N 255.365 3.642 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cccc(C)c1 56475844 VQCVJGIVCSLLHF-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CCOc1ccc(/C=N\[C@H](C)c2ccccc2)c(O)c1 105812409 BGRXMSPKEZAVJP-FDIDITGRSA-N 269.344 3.971 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1C 178562275 ZLMJJQXMDUYGAX-LRDDRELGSA-N 285.391 3.909 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 119603069 YWLCRBIQUFTKJD-LBPRGKRZSA-N 295.329 3.659 30 20 CHED CC(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 66801539 YFMBNNOQEJLNQB-LLVKDONJSA-N 262.378 3.675 30 20 CHED C=CC[C@H](C)NC(=O)c1occc1-c1ccccc1 116857777 DGCHSTMEMVXCOE-LBPRGKRZSA-N 255.317 3.641 30 20 CHED C=CCCCC(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C 175950283 HWFIOBKLJZIFTQ-NVXWUHKLSA-N 287.403 3.640 30 20 CHED CSc1ccsc1C(=O)Nc1cccc(C#N)c1C 178625064 FNEDCAIGSFAFQX-UHFFFAOYSA-N 288.397 3.902 30 20 CHED CCCCCCCCCN1CCSC[C@H]1CC(=O)O 117627165 LSRVNYPMYZGPHO-CQSZACIVSA-N 287.469 3.629 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H]1CSC)c1ccccc1 179326160 VFHXCOBDULVCKB-ZBFHGGJFSA-N 289.444 3.700 30 20 CHED CSc1ccccc1CN(C)Cc1ccccc1C#N 348302639 COSXCRGMFWGUNI-UHFFFAOYSA-N 282.412 3.912 30 20 CHED C[C@H](/N=C/c1cccc(O)c1O)c1ccccc1Cl 22768924 OTRKSFWZYBZDFE-VJCPFXPRSA-N 275.735 3.931 30 20 CHED Cc1ccccc1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 25839037 OQPOJNOJAOINKA-UHFFFAOYSA-N 292.382 3.977 30 20 CHED Cc1cc(Nc2c(C#N)cccc2C#N)ccc1F 302873133 CUCKCJAHQSAQEG-UHFFFAOYSA-N 251.264 3.621 30 20 CHED CC[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H](C)O1 302185825 HUUYJGOPXWHABK-ZWNOBZJWSA-N 298.308 3.581 30 20 CHED Cc1ccc(F)c(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 1347975066 RYFAYRTVYMZYPB-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED N#Cc1cc(F)c(NCCc2c[nH]c3ccccc23)c(F)c1 63507828 NKXLOHXYQMMFSN-UHFFFAOYSA-N 297.308 3.972 30 20 CHED CC(C)[C@@H]1CN(c2c(C#N)cnc3ccccc23)CCS1 301485742 ZJHVBTFCWUYRQS-INIZCTEOSA-N 297.427 3.684 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)CC1 469567549 UMLDZPJVNCPTPD-KGLIPLIRSA-N 260.381 3.846 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2C)sc1C 178626119 SOOWFUNBKDFXSF-UHFFFAOYSA-N 270.357 3.797 30 20 CHED CCN(Cc1cccs1)Cc1ccc(F)cc1C#N 171374278 JOINZJHTNJEJMH-UHFFFAOYSA-N 274.364 3.781 30 20 CHED CCOC(=O)[C@@H](CC)S[C@H](C)c1ccc(C#N)cc1 177370281 WPCTVYNNHBHLCL-BXUZGUMPSA-N 277.389 3.694 30 20 CHED C[C@@H](OC(=O)c1cccc(Cl)n1)c1ccc(C#N)cc1 175765230 YHYRFQWTTNJPKC-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301430722 VJSRUBXVNRQEPC-YGRLFVJLSA-N 296.330 3.615 30 20 CHED C[C@@H](C1CC1)n1cc(N[C@H](C)c2cccc(C#N)c2)cn1 187609404 OCEXBAODMCZDJJ-OLZOCXBDSA-N 280.375 3.899 30 20 CHED C=CCN(CCCn1ccnc1)Cc1ccc(Cl)s1 182662775 PHZUJALQOFXHDM-UHFFFAOYSA-N 295.839 3.676 30 20 CHED C#CCCCCC(=O)NC(C)(C)c1ccc(Cl)cc1 120081436 QDVPTRVMLKHVEA-UHFFFAOYSA-N 277.795 3.885 30 20 CHED C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CCC(C)(C)C#N 78797257 RTKAJJNUVMVFMQ-LLVKDONJSA-N 299.823 3.756 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCCC[C@@H]1c1ccco1 76511524 GKNZQMDNIHJUJF-HUUCEWRRSA-N 291.391 3.705 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc(Oc3cnccn3)c2)C1 185726645 XAIKPNGDPKHDMF-KGLIPLIRSA-N 294.358 3.763 30 20 CHED C=CCNC(=O)CSc1ccc(-c2ccccc2)cc1 71962548 YEMMYAYGOWHRJY-UHFFFAOYSA-N 283.396 3.748 30 20 CHED COCCOc1ccccc1N[C@@H](C)c1cccc(C#N)c1 182946541 DDIMEBHYAWTVBL-AWEZNQCLSA-N 296.370 3.757 30 20 CHED C[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1cccc(C#N)c1 74917607 ZYXJJXMRYZBTDU-QWHCGFSZSA-N 297.402 3.592 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccccc1Cl 189840043 UGFDJSWACJZGQB-OAHLLOKOSA-N 265.784 3.901 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 76083491 NVLARVNGIWKRCJ-ZBFHGGJFSA-N 285.391 3.843 30 20 CHED Cc1cc2sc(C(=O)N(C)[C@H](C)C#N)c(C)c2cc1C 410885731 XPPFVAXOIFUEPD-LLVKDONJSA-N 286.400 3.811 30 20 CHED Cc1cc2cc(NC(=O)c3cccc(F)c3C#N)ccc2[nH]1 188189167 SXNWSAWESPRCCS-UHFFFAOYSA-N 293.301 3.739 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccccc1Cl 125613860 LGYONWPLIKAWIC-LBPRGKRZSA-N 253.773 3.583 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)s1 122186462 CUGPIYVETRZMHU-NSHDSACASA-N 274.364 3.952 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(Cl)cc1 500103345 JDSZHOHPNPXHNG-NSHDSACASA-N 252.745 3.816 30 20 CHED CO[C@@](C)(CNc1ccc(C(F)(F)F)cc1C#N)C1CC1 314027161 TWCOQAFXBHYKQI-AWEZNQCLSA-N 298.308 3.804 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 185870399 QCIFFVAGJZSAMZ-DKKFBQAASA-N 298.430 3.826 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1cccc(Cl)c1 500705131 OTFRTVNOSIRFGI-LBPRGKRZSA-N 281.783 3.674 30 20 CHED N#Cc1ccc(CN2CCC[C@@H](Oc3ccccc3)C2)s1 418095060 FRRVUJRAIHDBIU-OAHLLOKOSA-N 298.411 3.663 30 20 CHED Cc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 181308092 YLMFIQAYXJYPII-ZDUSSCGKSA-N 295.342 3.930 30 20 CHED Cc1csc(NC(=O)CC(C)(C)C2CC2)c1C#N 410861996 ULUPWHJQEDHEAO-UHFFFAOYSA-N 262.378 3.693 30 20 CHED COCCN(CCC1(C#N)CCCCC1)Cc1ccco1 411165028 NNFDUHNTGWMGPO-UHFFFAOYSA-N 290.407 3.592 30 20 CHED CCCOc1cccc(NC(=O)c2cccc(C#N)c2)c1 31605477 NDHBYZNEMGOCPE-UHFFFAOYSA-N 280.327 3.599 30 20 CHED CCCN(CC#N)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 507895347 AOSBVZRSAZUVPS-NSHDSACASA-N 298.308 3.571 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCCCCSC 188581114 KXFQKVIRZVMERI-CQSZACIVSA-N 257.443 3.628 30 20 CHED CC(C)(C)OC(=O)CCCSc1ccccc1C#N 182064381 QMVILLMYXXLKCV-UHFFFAOYSA-N 277.389 3.772 30 20 CHED C=CCC[C@@H](C(=O)NCc1nccs1)c1ccccc1 188354184 AXEIUTVEMVPQDP-CQSZACIVSA-N 286.400 3.509 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)/C=C\c1ccccc1C#N 213206119 KQAKCIGHKNNRCH-WIDZWVOGSA-N 290.366 3.791 30 20 CHED N#C[C@H]1CCC[C@@H](NC[C@H]2CCCO[C@H]2c2ccccc2)C1 185796134 UMDQWCDDANMXKH-AITUJVMLSA-N 298.430 3.826 30 20 CHED CC[C@@H]1c2ccccc2CCN1CCCSCC#N 74990973 KPKQLDOYPYIZMH-MRXNPFEDSA-N 274.433 3.643 30 20 CHED Cc1cnc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 134900424 OCVVTVUDDYEJSL-NEPJUHHUSA-N 271.389 3.735 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1cccc(C#N)c1 172908617 WKSVNCAAFWTFQS-CQSZACIVSA-N 262.356 3.505 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1cccc(OC(F)F)c1 186391044 XIHVYOSGQFWFDI-GQCTYLIASA-N 293.244 3.718 30 20 CHED C[C@]1(C(=O)N[C@H](C#N)c2ccccc2Cl)CC=CCC1 410646224 YNORZGIBWJRKGO-ZBFHGGJFSA-N 288.778 3.767 30 20 CHED Cc1nnc(CSC/C(O)=N/[C@@H]2CCCC[C@H]2C)s1 329136060 COGBQDWHCORLRD-MWLCHTKSSA-N 299.465 3.615 30 20 CHED CC(C)[C@@H]1CN(C(=O)NCC2(C#N)CCC2)c2ccccc21 419637346 HZKAUMJEZORIFL-HNNXBMFYSA-N 297.402 3.650 30 20 CHED C=CC1CCN(Cc2ccc(Br)cc2F)CC1 523605613 FAGBEDLJFLRVTI-UHFFFAOYSA-N 298.199 3.986 30 20 CHED C=CCCC(=O)CSc1ccc2ccccc2n1 134643596 GYBNQMCDKDDWFZ-UHFFFAOYSA-N 257.358 3.862 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ccc(Br)cc1 175085297 CERSEMULUSOPHZ-LLVKDONJSA-N 296.208 3.983 30 20 CHED Cc1ccnc(C)c1N/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329235779 IXEWDWXPBQFLKO-RRFJBIMHSA-N 287.407 3.993 30 20 CHED C[C@H](Oc1ccc(C#N)cc1F)c1cccc(C#N)c1 194655024 BTPLXVQCSNFDOB-NSHDSACASA-N 266.275 3.709 30 20 CHED CCc1cc(OC)ccc1CNc1ccc(F)c(C#N)c1 507728052 SYWVKFSTNXHURZ-UHFFFAOYSA-N 284.334 3.880 30 20 CHED COc1ccc2cc(CN(C)[C@@H](C)CC#N)ccc2c1 193528952 NDKYOTQFEUJMLS-ZDUSSCGKSA-N 268.360 3.582 30 20 CHED Cc1ccsc1/C=C1/Oc2cc(O)cc(C)c2C1=O 41248395 ULNKZMRQBJFFMS-KPKJPENVSA-N 272.325 3.687 30 20 CHED COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c2ccccc12 424193618 KGNDRHLRMFTYCI-DZGCQCFKSA-N 280.371 3.630 30 20 CHED C=CCC[C@@H](C(=O)N1CCC(=C)CC1)c1ccccc1 427096491 HZDHKOLMIAHYEV-QGZVFWFLSA-N 269.388 3.915 30 20 CHED C=C[C@H](CC(=O)N1CCS[C@@H](CC)C1)c1ccccc1 136782363 OPPVNMPLKCGVMG-ZBFHGGJFSA-N 289.444 3.700 30 20 CHED Cn1ncc2c1CC/C(=C\c1csc3ccccc13)C2=O 89745432 NWAXNKHBFOONOE-DHZHZOJOSA-N 294.379 3.847 30 20 CHED Cc1cccc2cc(OCCC(C)(C)C#N)cnc12 421199676 MPGPFPPKZNNPSR-UHFFFAOYSA-N 254.333 3.862 30 20 CHED C[C@H]1CN(c2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 288402634 MXPRVAFRHUHSKC-CABZTGNLSA-N 289.791 3.866 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(C)cc1F 45169790 NBHWJMVRFIONED-UHFFFAOYSA-N 285.318 3.951 30 20 CHED Cc1c(NC(=O)CC(C)(C)C2CC2)ccc(C#N)c1C#N 421562217 UQKBAQLPBZUCFW-UHFFFAOYSA-N 281.359 3.503 30 20 CHED N#Cc1c(COc2ccccc2F)cn2ccccc12 198864877 PEAXUURXBDUDSQ-UHFFFAOYSA-N 266.275 3.529 30 20 CHED CCC1(CC)CCC(N/C(O)=N/CC2CCOCC2)CC1 330999461 DWXUTBVPXQNZEW-UHFFFAOYSA-N 296.455 3.666 30 20 CHED Cc1cc(C)c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)o1 336121591 NXQZKNXRXHMWBH-CYBMUJFWSA-N 288.734 3.545 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1ccccc1Cl 334308621 ITWFVSNPIVJTFK-UHFFFAOYSA-N 290.775 3.940 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N[C@@H]2CCCC2(C)C)c1C 331114374 JPUQVMODMRJPMH-BXUZGUMPSA-N 292.427 3.876 30 20 CHED Cc1ccccc1C[C@@H](C)NCc1ccc(OCC#N)cc1 193904433 ODUANZOFESPKBX-MRXNPFEDSA-N 294.398 3.618 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1cccc(C)c1C 510123194 HHOUNBDMWZVRRU-UHFFFAOYSA-N 278.355 3.842 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)[C@@H]1c1ccncc1 334483624 YNFSRZYXZUXAFR-OAHLLOKOSA-N 283.400 3.598 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(Cc2ccccc2)CC1 424741933 UPMOHZBDLUUNMN-UHFFFAOYSA-N 271.404 3.728 30 20 CHED C[C@@H](CCc1ccccc1)CN[C@@H]1CC[C@H](C#N)C1 424204354 VNHZVGMCLPAXGZ-BHYGNILZSA-N 256.393 3.537 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(F)c1F 426200506 XMQOUAVFAPSKCP-NWDGAFQWSA-N 294.345 3.776 30 20 CHED C[C@H](c1c(F)cccc1F)N1CCC(CC#N)CC1 335977017 CVROAQJKEZVRTI-LLVKDONJSA-N 264.319 3.651 30 20 CHED CCC(=O)c1cccc(NC(=O)c2cccc(C#N)c2C)c1 337747473 DKIKXZUTTHGINI-UHFFFAOYSA-N 292.338 3.712 30 20 CHED N=C(O)C[C@H](/N=C(/O)[C@@H]1CCCOCC1)C1CCCCC1 330144910 RZBMZQODMIFXIH-KGLIPLIRSA-N 296.411 3.634 30 20 CHED COCC[C@@H]1CCC[C@H]1N[C@@H](CCC#N)c1ccccc1 337464323 LJXIFCDHFDGAAK-KSZLIROESA-N 286.419 3.826 30 20 CHED Cc1c(NC(=O)C[C@@H](C)C(C)(C)C)ccc(C#N)c1C#N 421555218 HQULOXIUQXCKDR-LLVKDONJSA-N 283.375 3.749 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)Cc1ccccc1CC 512182801 SUVRYVDCVZKPMM-UHFFFAOYSA-N 299.414 3.913 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(C#N)cc1 512235892 ZGKLSVHQJOPVRW-DZGCQCFKSA-N 285.391 3.896 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1ccc(C)s1 432585220 QTHPRIAHZZFXAY-UHFFFAOYSA-N 280.437 3.800 30 20 CHED C=CCC1(NC(=O)c2occc2Br)CCCC1 619107598 GLHHYYKANHMCIW-UHFFFAOYSA-N 298.180 3.661 30 20 CHED C=CCN(C(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 247999003 NFCLMEVTZRCZBO-KRWDZBQOSA-N 295.407 3.923 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@H](C)c1c[nH]c2ccccc12 345787759 FOMFFWNJMBXXIF-KGLIPLIRSA-N 297.402 3.670 30 20 CHED N#Cc1ccccc1NCc1ccc(OC(F)F)c(F)c1 438932017 ZNRJEVIFQSFNFR-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=C(C)CN(CC)C(=O)c1nc(-c2ccco2)sc1C 248247689 KJRUNENDUSFIRG-UHFFFAOYSA-N 290.388 3.750 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 528666663 YKJWSIDFXWYQQK-WBVHZDCISA-N 298.430 3.969 30 20 CHED Cc1cc(Cl)c(OC[C@H](C#N)CCC#N)cc1F 342914401 WRSNDCRRJXPHIS-JTQLQIEISA-N 266.703 3.610 30 20 CHED Cc1ccc(-c2ccc(C(=O)NCCCC#N)c(F)c2)cc1 342654734 NBDFUNZQJXJSPG-UHFFFAOYSA-N 296.345 3.835 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(CCC)c1C1CC1 343260106 PLJRCIKLGFTXII-ZDUSSCGKSA-N 289.423 3.645 30 20 CHED C=CCCN(C)C(=O)c1cc(Oc2ccccc2)ccc1O 436838826 LZAMSPVIAXPEGG-UHFFFAOYSA-N 297.354 3.833 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)nc2)n1 341165999 GVRQXTHNZUBYBB-BXUZGUMPSA-N 282.347 3.687 30 20 CHED COc1ccccc1[C@H](C)CC(=O)Nc1cccc(C#N)c1 343182021 BSLICJYNHDSCMB-CYBMUJFWSA-N 294.354 3.699 30 20 CHED Cc1ccc(SCCNC[C@@H](C)CCC#N)cc1 602505285 WWJNECBUUCTRRG-AWEZNQCLSA-N 262.422 3.617 30 20 CHED Cc1[nH]c(=N[C@@H](C)c2oc3ccccc3c2C)ccc1C#N 436715029 NWURXXIKTYMSMK-ZDUSSCGKSA-N 291.354 3.911 30 20 CHED CC(C)(CNc1c(C#N)cccc1C#N)Oc1ccccc1 436393209 UAZRTEYJPWUKHI-UHFFFAOYSA-N 291.354 3.699 30 20 CHED O=C(/C=C\c1cncs1)c1cccc(Br)c1 255365593 WBOVADKSQLGUFZ-PLNGDYQASA-N 294.173 3.802 30 20 CHED Oc1ccc(C=NNc2ccccc2C(F)(F)F)cc1O 254696710 ZTISURRTGUQEEF-UHFFFAOYSA-N 296.248 3.563 30 20 CHED Cc1ccc(C)n1C1CCN(C[C@@H](C)CCC#N)CC1 602450897 CCSLYOKNMTUXQX-AWEZNQCLSA-N 273.424 3.682 30 20 CHED CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H](C)C#N)cc1 345812390 XTFCCTNMVROMHK-NWDGAFQWSA-N 276.405 3.524 30 20 CHED CCSc1cccc(CNC[C@@H](C)CCC#N)c1 602671343 HQHQBXYQGLXHFU-ZDUSSCGKSA-N 262.422 3.828 30 20 CHED O=C1/C(=C/c2cnc3ccccn23)Cc2cc(Cl)ccc21 255568618 FGGINPPGZHZOEV-FMIVXFBMSA-N 294.741 3.810 30 20 CHED C(=NOCc1ccc2c(c1)CCC2)c1cccs1 255918355 YSGZNRPDZUNHJT-UHFFFAOYSA-N 257.358 3.788 30 20 CHED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)CC1(CC#N)CC1 602764133 CJYOVLYDHJYTQK-ZWKOTPCHSA-N 298.430 3.780 30 20 CHED N#CCC[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 342222430 LPMUXMZQVBJLEO-SFHVURJKSA-N 293.345 3.832 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N(C)C[C@H](C)C#N)cc1 609987101 AQPXVPPIUVYWMD-HUUCEWRRSA-N 286.419 3.922 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1Cc1ccccc1 602434491 FBXJECUDYCMARL-WBVHZDCISA-N 256.393 3.633 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@@H]1CF 359593186 IYOQWTOTXKRGRR-GFCCVEGCSA-N 279.380 3.539 30 20 CHED CC[C@H]1CSC(=Nc2ccc(Cl)cc2)N1C(C)=O 255007553 PJSXLMXDEYOIRL-LBPRGKRZSA-N 282.796 3.701 30 20 CHED Cc1ccccc1C=NOCc1c(F)cccc1[N+](=O)[O-] 255920994 NVLAHEAOTVSCGI-UHFFFAOYSA-N 288.278 3.593 30 20 CHED CCCCc1nc(Cn2cc(C)c(C#N)c2)cs1 532907195 NJDNOFSYKFZAKO-UHFFFAOYSA-N 259.378 3.516 30 20 CHED C[C@@H](NCC1Cc2ccccc2C1)c1ccc(C#N)c(F)c1 538511803 KYTIEKINQWAWBQ-CYBMUJFWSA-N 294.373 3.763 30 20 CHED C=CCCC1(C(=O)NCc2cc(-c3ccccc3)no2)CC1 354574930 UNSMDSCHURIUST-UHFFFAOYSA-N 296.370 3.704 30 20 CHED Cc1sc(NC(=O)C2(C#N)CCC2)nc1-c1ccccc1 609853834 WVHSCYSHAXIRKL-UHFFFAOYSA-N 297.383 3.751 30 20 CHED Cc1cc(C)cc(C[C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1 442866775 MQOHDBXETUIGJA-ZMSDIMECSA-N 256.393 3.516 30 20 CHED C=CCCCNC(=O)N(C)[C@H]1CCCC[C@H]1CC 448391075 SQERMSMYVJOPKW-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1OCC 538342161 ZFSIBGSQUPXKCO-CYBMUJFWSA-N 276.380 3.952 30 20 CHED C=C(CN[C@@H](C)c1ccc(OC)c(O)c1)c1ccccc1 353412664 MKQPCMXBNYHFIH-AWEZNQCLSA-N 283.371 3.765 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)s1 530913793 TVKGXFGQGMUUJE-YPMHNXCESA-N 276.405 3.708 30 20 CHED N#Cc1cccnc1N1CCCC[C@@H]1Cc1ccc(F)cc1 531153852 NJAQAVNUPJABHF-QGZVFWFLSA-N 295.361 3.694 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(-c2csc(C)n2)o1 448611789 GATHQSFLFXFCGL-UHFFFAOYSA-N 290.388 3.540 30 20 CHED C[C@H](NC(=O)[C@H](C)C1CCCC1)c1cccc(C#N)c1 610522837 ZKDTYNZWWBGLCZ-OLZOCXBDSA-N 270.376 3.562 30 20 CHED CC(C)C[C@H]1CCCN1Cc1cn2ccccc2c1C#N 354679526 VYYBLLAXAQMDOD-MRXNPFEDSA-N 281.403 3.821 30 20 CHED C=CC[C@@H]1N(C(=O)NC[C@H](C)SC)CCCC1(C)C 445226291 UCTOEABSTPSKAJ-STQMWFEESA-N 284.469 3.514 30 20 CHED C=CCCC1(C(=O)Nc2nc(-c3ccccn3)cs2)CC1 352719061 KKSZPOGMTRJPPW-UHFFFAOYSA-N 299.399 3.890 30 20 CHED C=CC[C@H]1N(C(=O)NC[C@H](C)SC)CCCC1(C)C 445226290 UCTOEABSTPSKAJ-QWHCGFSZSA-N 284.469 3.514 30 20 CHED C=CCC(CC=C)C(=O)NCC1(C(F)(F)F)CCC1 356493596 ZHMMRHBFXXVYRX-UHFFFAOYSA-N 275.314 3.604 30 20 CHED C=CCC1(NC(=O)c2c(C)oc(C)c2C)CCCC1 619115057 SUAOSJAGYMYCIV-UHFFFAOYSA-N 261.365 3.824 30 20 CHED C=CCC1(NC(=O)[C@H]2CCO[C@H](CCC)C2)CCCC1 619111300 TYQOIOLPSAHAFA-LSDHHAIUSA-N 279.424 3.587 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccn(C)c1 350658058 KLUORESQMQMDIS-UHFFFAOYSA-N 281.403 3.555 30 20 CHED CCc1ccc(NC(=O)c2cccc(CC#N)c2)cc1C 535808000 LPWMKSYQKUCDAD-UHFFFAOYSA-N 278.355 3.876 30 20 CHED CCC1(C)CCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 610407093 SHVFOMIHEPIIMI-AWEZNQCLSA-N 299.418 3.841 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 615475106 OHCUYOIYNVSZLK-XJKSGUPXSA-N 299.418 3.887 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CCc2cc(F)ccc21 613275228 MZAQQWOTQSFWQD-LRDDRELGSA-N 275.367 3.717 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(Cl)c1 619754911 OJZGPLLZINULQV-VXGBXAGGSA-N 262.784 3.902 30 20 CHED Cc1cc(C(F)(F)F)ccc1C(=O)N[C@@H](C#N)C(C)(C)C 450110699 FQMMXGLDKQDMSM-LBPRGKRZSA-N 298.308 3.682 30 20 CHED C[C@H](CCCc1cccnc1)NC1CCC(C)(C#N)CC1 459645800 HNPKDUZLZDPSAZ-FAEJEUNOSA-N 285.435 3.855 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 458371437 AQVVYZMIMONZND-HOTGVXAUSA-N 299.418 3.514 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1C[C@H]1C(C)C 458112303 JZZJVAKBWUGFCT-UONOGXRCSA-N 275.417 3.739 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cc(C)ccc2OC)CCC1 457932587 CGTVBYOGICSYFZ-AWEZNQCLSA-N 287.403 3.927 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](c2ccccc2)C[C@H]1C 451640201 CROUNKJKBLENHF-ZBFHGGJFSA-N 271.404 3.993 30 20 CHED CC(C)[C@H]1CN(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@H]1C(C)C 456348855 SDWORNZYSBEORC-QGTPRVQTSA-N 298.430 3.801 30 20 CHED CC(C)(C)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(F)(F)F 530912986 VGHOASXDHQXWCU-LLVKDONJSA-N 299.296 3.657 30 20 CHED CC(C)(CC#N)CNCc1csc(-c2cccs2)n1 459727302 GEQSTBWYRTZFHH-UHFFFAOYSA-N 291.445 3.901 30 20 CHED CCCC[C@@H](CC)CC(=O)NCC(C)(C)CC#N 457995825 RKHRROLGSHXEJD-CYBMUJFWSA-N 252.402 3.649 30 20 CHED Cc1ccc(NC(=O)NCC(C)(C)CC#N)c(Cl)c1 459227280 FYECVDKFMZZSDV-UHFFFAOYSA-N 279.771 3.710 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CC#N)CC1 541024148 KTZAYLSLEORKSA-CYBMUJFWSA-N 287.363 3.590 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)c2c(C)noc2C)CCCC1 450253361 CZTLJGNIGCFUCX-AWEZNQCLSA-N 290.407 3.995 30 20 CHED C=CCC[C@H](C)NCc1cccc(OC(C)(C)C)n1 544612568 HQYWHQKXZITPAY-ZDUSSCGKSA-N 262.397 3.703 30 20 CHED CC(C)[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612095441 WFBMJRKUYNLJMS-SJLPKXTDSA-N 299.418 3.719 30 20 CHED N#Cc1nn(C/C=C\c2ccccc2)c2ccccc12 543265290 BHHPWSUSRRMDMQ-TWGQIWQCSA-N 259.312 3.621 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CC(F)(F)F)c1ccccc1 362372464 ZXUHRLXYWQDXRV-ZYHUDNBSSA-N 286.297 3.554 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 271336463 BQUKQLDQOIQYBZ-MRXNPFEDSA-N 273.351 3.683 30 20 CHED C=C(C)CN(CC)C(=O)Nc1sc(CCC)nc1C 362789923 LOVJHWZVLMFNBT-UHFFFAOYSA-N 281.425 3.834 30 20 CHED CC(C)(CC#N)CNC(=O)[C@H]1CCC[C@H]1c1ccccc1 458041660 MHZJHJLXCZMDND-HOTGVXAUSA-N 284.403 3.626 30 20 CHED N#Cc1cc(N(C#N)Cc2ccc(Cl)s2)ccc1F 546190995 UDUFALMNWBEPFX-UHFFFAOYSA-N 291.738 3.900 30 20 CHED N#CCCCNC(=O)Nc1cc(Cl)c(F)c(Cl)c1 277300203 UDXUSYBDTQVSCX-UHFFFAOYSA-N 290.125 3.558 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCSC2)CCCCC1 450041488 IITVZBDBYDYBOK-CYBMUJFWSA-N 267.438 3.525 30 20 CHED COc1ccc(C)cc1[C@H](C)NCCCC(C)(C)C#N 271642726 HMECPMOKMKSRSM-AWEZNQCLSA-N 274.408 3.984 30 20 CHED CC(=O)c1cccc(C(F)(F)F)c1OCC1(C#N)CC1 450933890 VRFFJMZMMXYLIR-UHFFFAOYSA-N 283.249 3.591 30 20 CHED CC(C)c1ncsc1NC(=O)[C@@H](C)c1cccc(C#N)c1 456432895 FHJAXPDRWDLYKK-NSHDSACASA-N 299.399 3.880 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1ccccc1F 458005437 OPPUMEFKMVOECX-GOEBONIOSA-N 273.351 3.566 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC[C@H]1c1ccsc1 459256078 HXFNCSKNONUUHL-ZDUSSCGKSA-N 291.420 3.534 30 20 CHED C=CCC[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccco1 276387592 AWTWTTYJMDEPHC-HZPDHXFCSA-N 297.402 3.550 30 20 CHED C=CCC[C@@H](CCC)NCC1([C@@H](O)C(C)C)CC1 540607458 NMFYUGJPACHURU-CABCVRRESA-N 253.430 3.508 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(Cl)cc1F 467905108 ZVBIULYGCSUOHN-CQSZACIVSA-N 269.747 3.698 30 20 CHED C=CCCN(C)C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 466966338 SIFZVBOADVDIBB-NWDGAFQWSA-N 292.345 3.573 30 20 CHED CC(C)(C)CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 372638998 IAIWWWCIGANICD-HZPDHXFCSA-N 284.403 3.721 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(CC)s1 467819304 NVSKDWFALBWBHQ-UHFFFAOYSA-N 263.406 3.695 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 281823721 ZSLYEAURDOUJFY-ZFWWWQNUSA-N 288.391 3.649 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(OC(C)C)c(C)c1 285762565 ROONHXXGTAUACR-MRXNPFEDSA-N 274.364 3.661 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 281400887 PQGPEDMJIUQQHK-SWLSCSKDSA-N 278.371 3.883 30 20 CHED N#Cc1ccnc(N2CCC(c3ccc(Cl)cc3)CC2)c1 553540459 ODLFMDFRIHTZBD-UHFFFAOYSA-N 297.789 3.991 30 20 CHED Cc1ccc2c(C(=O)N(CCC#N)CC3CC3)csc2c1 281615722 ZMIPFTLMGJKLBR-UHFFFAOYSA-N 298.411 3.976 30 20 CHED C[C@H](Cc1ccc(O)cc1)N[C@H](CCC#N)c1ccccc1 293660710 PNQWQRLJAUQYDZ-DNVCBOLYSA-N 294.398 3.958 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 471711797 ISYITUXRMYLGGO-UONOGXRCSA-N 279.330 3.541 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 473869352 QPRPOXRGXWUFRF-NSHDSACASA-N 290.338 3.850 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1CCC(C)C 472701664 RCNXXNPZKFLZAF-JKSUJKDBSA-N 281.440 3.785 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCC[C@H]2CCCF)c1 800974085 GEACHCLTZMBPJO-XJKSGUPXSA-N 278.346 3.705 30 20 CHED N#CCCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 291710889 OOAWBBLJIFWKIG-INIZCTEOSA-N 290.794 3.991 30 20 CHED CC1(C)CCCN(Cc2ccnc(Cl)c2Cl)[C@@H]1C#N 291002357 AZFGLFOKMNQHOO-LLVKDONJSA-N 298.217 3.903 30 20 CHED CC(=NNCC1CCCC1)c1c(C)nn(C(C)C)c1C 808008804 WVOIRYXBAJDHGH-UHFFFAOYSA-N 276.428 3.585 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2cnco2)cc1 293348454 LNMPOBJXRMOJTG-UHFFFAOYSA-N 270.332 3.882 30 20 CHED C=CCCCCCCNC(=O)c1ccc(-n2ccnc2)cc1 805221061 JUHWXQWBGWVNIX-UHFFFAOYSA-N 297.402 3.739 30 20 CHED CC#CCN(C)C(=O)c1ccccc1SCC=C(C)C 647541910 TYHNDDFFTGDZKR-UHFFFAOYSA-N 287.428 3.840 30 20 CHED C=C(C)CCNC(=O)NC1(c2ccccc2Cl)CC1 645529269 WDHHXEVWOZHZGY-UHFFFAOYSA-N 278.783 3.595 30 20 CHED C=CCCCS[C@@H](Cc1ccc(C)cc1)C(=O)OC 477039605 JNWWYFPRBIUVEV-HNNXBMFYSA-N 278.417 3.779 30 20 CHED CCCCCCC(=O)COc1cc(F)cc(C#N)c1 808045469 LQZSOKFJMCWCGY-UHFFFAOYSA-N 263.312 3.616 30 20 CHED C#Cc1ccc(CNc2cnn(-c3ccccc3F)c2)cc1 809629096 CPNDDJYVIOERSG-UHFFFAOYSA-N 291.329 3.605 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1nc(Cl)c(C#N)s1 804372685 NAZHHFLWPFHWPT-QMMMGPOBSA-N 295.770 3.850 30 20 CHED CC[C@@H](NCCOc1cccc(C)c1)c1ccc(C#N)cc1 568590329 QOHQZJONQMZWNR-LJQANCHMSA-N 294.398 3.986 30 20 CHED C#CCCCCNC(=O)c1sc2cc(F)ccc2c1C 805190281 MHLMFUCGTOQYGT-UHFFFAOYSA-N 289.375 3.882 30 20 CHED C=CCN(Cc1cc2c(C)c(C)ccc2[nH]1)C1CC1 473128929 QZGPBKCELPLAGW-UHFFFAOYSA-N 254.377 3.935 30 20 CHED N#CC1(C(=O)O[C@H]2CCc3cc(Cl)ccc32)CCC1 803359396 WDQKNEXOJBWPAP-ZDUSSCGKSA-N 275.735 3.564 30 20 CHED Cc1ccc([C@H](C)N(C)c2nccc(C)c2C#N)cc1 568556564 JBGFVEQEDLQYOB-AWEZNQCLSA-N 265.360 3.768 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 561568873 LBYMZRJQQSGOLS-OWLYRPNTSA-N 298.430 3.929 30 20 CHED COc1cc(CNc2nc(Cl)c(C#N)s2)ccc1C 804371523 BJCDHBYTAFRMDU-UHFFFAOYSA-N 293.779 3.597 30 20 CHED COc1cc(NCc2ccc(C#N)cc2)c(C)cc1C 475673539 QTVXKOFZKYVQHO-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CSC1(C=NNC(=S)Nc2ccccc2C)CCC1 800805340 VRKGSXJMKWBTLJ-UHFFFAOYSA-N 293.461 3.553 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 648802202 YSWQCAXXVFFORO-UKRRQHHQSA-N 257.377 3.808 30 20 CHED CCCCN(CCO[C@H](C)C#N)[C@H]1CCC[C@H](C)C1 815196607 QNVAQQGLBVOGIF-XHSDSOJGSA-N 266.429 3.596 30 20 CHED CC(=NOC1CCC1)c1cc(Br)cs1 812237038 HWZLTMUSIQWOOL-UHFFFAOYSA-N 274.183 3.804 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@H](C3CCCC3)C2)c1 817301319 KLJSEBJSZAIOFO-INIZCTEOSA-N 282.387 3.712 30 20 CHED CCCC(=NNc1nncc2ccccc12)c1cccnc1 814705912 QBUVBKHKARCYKQ-UHFFFAOYSA-N 291.358 3.641 30 20 CHED C=CC1CCN(C[C@H](O)c2cccc3ccccc23)CC1 815046034 GORZGKQGCYFYPO-IBGZPJMESA-N 281.399 3.771 30 20 CHED Fc1cc(F)cc(NN=C2CCc3cccnc3CC2)c1 817323081 HIKRQHOVBTUDRY-UHFFFAOYSA-N 287.313 3.707 30 20 CHED c1ccc2c(NN=C3CC[C@@H]3C3CCC3)cnnc2c1 814849228 NAHQVPMSABXHJV-GFCCVEGCSA-N 266.348 3.608 30 20 CHED C/C(=C/C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl 819632069 NXEWISVYFJGFHG-ZBNJQPBLSA-N 288.778 3.552 30 20 CHED CSc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)s1 814681868 DSHCTQUUVGUHAF-UHFFFAOYSA-N 293.373 3.824 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NOC1CCC1 814936903 NRSCZRPYWKHCAG-WMLDXEAASA-N 273.376 3.894 30 20 CHED COC[C@H](C)NN=C1CCCC[C@H]1C1CCCCC1 814895556 OACCIFGKDIARAU-ZFWWWQNUSA-N 266.429 3.737 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1c[nH]nc1C(C)(C)C 815320763 DTZKCUMLRAYNID-UHFFFAOYSA-N 291.395 3.584 30 20 CHED C=CCN(CCC#N)Cc1ccc(N(CC)CC)c(F)c1 814171086 JZMZTOFZZIDNGA-UHFFFAOYSA-N 289.398 3.574 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(/C=C/C)cc1 487969281 PKGWKSVVESKIAE-VFADXPBXSA-N 286.419 3.945 30 20 CHED N#CCCCN1CCC(c2ccnc3ccccc23)CC1 574819296 BIVLFSKUOLTYKD-UHFFFAOYSA-N 279.387 3.718 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(C#N)CC 570180934 YBEMBVKSMFPZBW-GOEBONIOSA-N 264.413 3.791 30 20 CHED C=CCN(CC=C)C(=O)CSc1ccc(F)c(Cl)c1 487140272 DJKXWXGMHOXNFC-UHFFFAOYSA-N 299.798 3.772 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 810347792 BMEBFYBUWIUFEG-AEFFLSMTSA-N 283.415 3.541 30 20 CHED CCCCCCC[C@H](C)CNC(=O)OC1CCOCC1 810042651 DGBAYZYTUKVRFC-AWEZNQCLSA-N 285.428 3.888 30 20 CHED C#CCCCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 813859613 XBHJCSXEDIHKBF-QAPCUYQASA-N 289.394 3.687 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccc(SCC)cc1 488878421 MHUHEADYFBBTBV-HNNXBMFYSA-N 289.444 3.908 30 20 CHED c1ccc2nc(NN=C3CCCc4occc43)ccc2c1 814697705 YYBUIGUEMAXLKW-UHFFFAOYSA-N 277.327 3.980 30 20 CHED Oc1cccc(C=NNc2cccc(F)c2F)c1Cl 814858701 DFJAOHVWKMVNFF-UHFFFAOYSA-N 282.677 3.770 30 20 CHED C=CCCC(=NN[C@H](C)COc1ccccc1)C1CC1 811666810 KLCCKFCWOFRWKO-CQSZACIVSA-N 272.392 3.776 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 483403051 ZHZVQHBLAJVXHI-UONOGXRCSA-N 290.382 3.679 30 20 CHED CC[C@@H]1CCC[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 578373851 TYAFONTVSIFMTE-COXVUDFISA-N 254.377 3.714 30 20 CHED C=CCOC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 727217674 HVVWEVWRGVXTIQ-UHFFFAOYSA-N 272.266 3.712 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)N1CCC(CCC#N)CC1 574568607 SZCMUACDOXIQIF-CYBMUJFWSA-N 279.428 3.536 30 20 CHED C#Cc1cccc(NC(=S)N2C[C@H](C)c3ccccc32)c1 726461773 FPJIEEFOMDDTDX-ZDUSSCGKSA-N 292.407 3.988 30 20 CHED C(/C=C/c1ccccc1)=NNc1nc(-c2ccccc2)no1 726739129 FAEWBERREKKWLP-XKBVOMFJSA-N 290.326 3.848 30 20 CHED COc1cccc(NN=C(C)c2cccc(OC)c2)c1 725853546 MEWXQLYFJPMWLX-UHFFFAOYSA-N 270.332 3.540 30 20 CHED C=CCN(Cc1ccc(C(F)(F)F)cn1)C(C)(C)C 661759423 FQTJJBSLVBUFHC-UHFFFAOYSA-N 272.314 3.887 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C/c2ccco2)c1 727331013 YSVWGTVKWQBQGH-CMDGGOBGSA-N 283.327 3.886 30 20 CHED Cc1ccc(-c2ccsc2C(=O)NCC2(C#N)CC2)cc1 580396252 JHRSFPCBLPSCPD-UHFFFAOYSA-N 296.395 3.757 30 20 CHED Cc1ccccc1/C=C/C(=O)c1cccc(CN(C)C)c1 821022061 NHTFLKPKUOIWMA-VAWYXSNFSA-N 279.383 3.953 30 20 CHED N#Cc1cc(NCCc2ccc(C(F)(F)F)cc2)ccn1 586964494 AOLSXDPNNHLOAT-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCc1cc(C)cc(C)c1 495242198 HSRQBZRLGOGZMD-KRWDZBQOSA-N 286.419 3.596 30 20 CHED Cc1ccc(C#N)cc1NCc1coc(C(C)(C)C)n1 901381897 SNCSLOGIKRWIGF-UHFFFAOYSA-N 269.348 3.764 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Cc1ccc(OCC)cc1 665480592 JIMDFZWLIMIFQV-GDBMZVCRSA-N 289.419 3.735 30 20 CHED C=CC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccncc1 734458152 VRYAOMIOQXKLMS-MRXNPFEDSA-N 291.354 3.610 30 20 CHED CC(=NNc1ccccc1)c1ccnn1CC1CCC1 901123230 KRTFDVWSZZUJFR-UHFFFAOYSA-N 268.364 3.519 30 20 CHED CC(CCc1ccccc1F)=NNc1ccc(Cl)nn1 734092137 WBHUIMQWIPSSLT-UHFFFAOYSA-N 292.745 3.690 30 20 CHED CC(C)C(NC(=O)c1cc(C#N)ccc1Cl)C(C)C 586799492 JAJDOVCUUWNXOQ-UHFFFAOYSA-N 278.783 3.622 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H](c1ccccc1)C1CCC1 837394003 AJSCOGVNTFZXSP-KRWDZBQOSA-N 269.388 3.694 30 20 CHED C[C@@H]1CCC(=NNc2cc(C(F)(F)F)ccn2)C1 834986099 RPAUTLYMLWOBKY-MRVPVSSYSA-N 257.259 3.688 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1ccc(N(C)C)cc1 834891469 ILMBKLVXJWPARV-KURKYZTESA-N 288.435 3.527 30 20 CHED C[C@@H](C#N)OC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 730635281 JTRLSBIUGYJWIH-IUCAKERBSA-N 286.158 3.627 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1F 731488905 VBXDOZZENHVMGK-RUDMXATFSA-N 285.274 3.938 30 20 CHED C#CC1CCN(C(=O)Nc2ccc3oc(C)c(C)c3c2)CC1 831683468 UOPIPVCGGNBXJA-UHFFFAOYSA-N 296.370 3.927 30 20 CHED C[C@H]1CC=C(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)CC1 835349394 VBWAPGKEVAJHRQ-JSGCOSHPSA-N 291.354 3.552 30 20 CHED CC(C)n1cncc1/C=C1/CCc2ccc(F)cc2C1=O 901490628 PNPKYCPQHIRLGO-QPEQYQDCSA-N 284.334 3.816 30 20 CHED C[C@@H](C#N)N(C)C(=O)C=C1CCC(C(C)(C)C)CC1 839366080 HAGCDWMDVMTOLW-NBFOIZRFSA-N 262.397 3.520 30 20 CHED CCC#C[C@H](C)Sc1nnc(-c2ccc(C)cc2)o1 677131731 RTBJQDFEGZWYBP-LBPRGKRZSA-N 272.373 3.939 30 20 CHED FC(F)(F)CCON=Cc1cc2cc(Cl)cnc2o1 834973605 YPLCTADQGROFAW-UHFFFAOYSA-N 292.644 3.784 30 20 CHED C=CCOC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 738773159 CBBAKZUWJBFBAW-JTQLQIEISA-N 272.266 3.613 30 20 CHED C=C(C)C[C@@H](C)c1nc([C@H](C)c2ccncc2)no1 581037735 QQMRWZPUDOLMRO-VXGBXAGGSA-N 257.337 3.686 30 20 CHED Cc1cc(C=NNc2cnccn2)c(C)n1C1CCCCC1 912962619 VVZKVUPFLWAARJ-UHFFFAOYSA-N 297.406 3.846 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 593959219 RWYFRVCNMFHXMV-VKJFTORMSA-N 298.430 3.774 30 20 CHED C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 595087833 FGFBMUPXDRNXOA-XIKOKIGWSA-N 278.355 3.602 30 20 CHED Cc1csc([C@H](C)NC2(c3cccc(C#N)c3)CC2)n1 599037493 DPSGKGIZPTWUQL-LBPRGKRZSA-N 283.400 3.663 30 20 CHED C=C(CC)COC(=O)Cc1scnc1-c1ccccc1 835662493 YHPQBSWOUWZOIV-UHFFFAOYSA-N 287.384 3.862 30 20 CHED CC[C@H](OCCN1CCC(C)(C#N)CC1)c1ccccc1 593022541 ZWNBPQIAXWHSAN-KRWDZBQOSA-N 286.419 3.780 30 20 CHED Cc1ncsc1C=NNCc1ccc(C(F)(F)F)cc1 743437420 KYVAEUNMEVSJNI-UHFFFAOYSA-N 299.321 3.594 30 20 CHED CC(C)Oc1ccccc1CNCc1cc(C#N)ccc1F 742381009 MVAKLVQKLKXADZ-UHFFFAOYSA-N 298.361 3.774 30 20 CHED N#Cc1cccc2c1CCN2C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 597788754 NVLMFGJBDCQIKU-VQFNDLOPSA-N 294.398 3.664 30 20 CHED C=CCOC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 917261664 ZDJUBMNEAKLGLA-UHFFFAOYSA-N 270.115 3.818 30 20 CHED Cc1cc(C(=O)O[C@H](C)C#N)c(C)n1[C@@H](C)c1ccccc1 914664167 UDUBWAWSGYYQCJ-KGLIPLIRSA-N 296.370 3.783 30 20 CHED C#CCN(C(=O)NC1C[C@H](C)C[C@@H](C)C1)C1CCCCC1 740491352 WYRACCPPIQAEBS-HUUCEWRRSA-N 290.451 3.789 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](CC#N)C1 595651200 GQBUFSYKXZCGMZ-RBSFLKMASA-N 291.439 3.536 30 20 CHED C#CCCCNC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 743692700 WEDCFZBFFNGIGD-ZWKOTPCHSA-N 298.430 3.501 30 20 CHED C=CCOc1ccc(CN(C(=O)C(F)F)C(C)(C)C)cc1 844492986 LIHYOUXEDMSKGH-UHFFFAOYSA-N 297.345 3.644 30 20 CHED C=C[C@@H](C)ONC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 846545450 HBQTZJDRILHHBS-RKDXNWHRSA-N 288.174 3.719 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C2CCC2)C2CC2)c1 840838364 NWQFDYDSBVVCNM-INIZCTEOSA-N 284.428 3.533 30 20 CHED C=CCC[C@@H](NC[C@@H]1COc2ccccc2C1)C1CC1 747866434 KFOASGKHLKFUKB-RHSMWYFYSA-N 271.404 3.572 30 20 CHED CCCCCCCCCN(C)c1c([N+](=O)[O-])ncn1C 918735710 OHMQIMKYKUTPNK-UHFFFAOYSA-N 282.388 3.515 30 20 CHED Clc1ccc(NN=Cc2csc(C3CC3)n2)cn1 743450063 FVHFHRZYMZOZSW-UHFFFAOYSA-N 278.768 3.515 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccc(CC#N)cc2)C1 598216653 XMOKGSNFXFUWKI-UHFFFAOYSA-N 284.403 3.795 30 20 CHED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCc2c(O)cccc21 742435717 XHKOTCAFJYGULX-FMIVXFBMSA-N 295.294 3.513 30 20 CHED CC(C)CC[C@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593939134 BWHKQQFYDCXMPA-GJZGRUSLSA-N 286.419 3.678 30 20 CHED C[C@H](CSCCO[C@H](C)C#N)C1CCCCC1 842183325 LGXDHXOGKVKJLY-CHWSQXEVSA-N 255.427 3.865 30 20 CHED CC(=NOC[C@H]1C[C@H]2CC[C@H]1O2)c1cc2ccccc2o1 842016613 AEJKMQMJQJVQMO-IIAWOOMASA-N 285.343 3.741 30 20 CHED C=C(C)COC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 747521368 OGHJULYYZHZADR-CHWSQXEVSA-N 295.176 3.672 30 20 CHED C[C@H](C#N)N(C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 598136779 JMSOOPXGBYAXHM-QGPMSJSTSA-N 296.414 3.548 30 20 CHED C=CCOCCCC(=O)O[C@H]1CCc2c(Cl)cccc21 744124946 LUZMUKWGNLRNKL-HNNXBMFYSA-N 294.778 3.853 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N2CCC[C@H](C#N)C2)cc1 928220799 JXCLKUGIYCFSRI-GOEBONIOSA-N 284.403 3.505 30 20 CHED C#Cc1cccc(NC(=O)/C=C(\C)c2ccc(F)cc2)c1 921278613 WXXLRCSFYWMXDX-ACCUITESSA-N 279.314 3.849 30 20 CHED C=C(C)CCOC(=O)CCC(C)(C)NC(=O)OC(C)(C)C 744303729 SIRRCTLQOBLEPG-UHFFFAOYSA-N 299.411 3.579 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1CCc2cc(C)ccc21 920178469 RHEZHLNFUIQFAX-YLRSXTQRSA-N 281.355 3.816 30 20 CHED C#Cc1cccc(N(C)C(=O)CCCC2CCCC2)c1 742634406 OTFGLRXHBUXKBX-UHFFFAOYSA-N 269.388 3.991 30 20 CHED CSc1ccc2c(c1)C(=NOC[C@@H]1CCOC1)CCC2 842532226 YSRPAFFPKBUPAX-GFCCVEGCSA-N 291.416 3.502 30 20 CHED C#CC[C@H](NC(=O)NC1(C)CCCCC1)c1ccccc1 757773583 WJQTWUSQMHZLEB-INIZCTEOSA-N 284.403 3.773 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2cc(Cl)ccc2[nH]1 684988441 WKCJQWKYWXMPTR-GFCCVEGCSA-N 276.767 3.906 30 20 CHED CC(C)(C)CC(=NNC1CCOCC1)c1ccc(F)cc1 757591806 GSTOXOHXVCNTIF-UHFFFAOYSA-N 292.398 3.735 30 20 CHED CC(=O)Nc1cccc(C(C)=NN[C@H](C)c2ccccc2)c1 920385696 GGSRXAQJQZCOET-CYBMUJFWSA-N 295.386 3.720 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(N(C)CCCC)cc1 757236132 URTGMZNHSHXFTH-CYBMUJFWSA-N 275.396 3.619 30 20 CHED N#Cc1cc(C(=O)OC/C(Cl)=C\Cl)ccc1Cl 754917174 GYJNPCCTYVFLAN-RUDMXATFSA-N 290.533 3.687 30 20 CHED Cc1cccc2c(CC(=O)O[C@H](C)CC(C)(C)C#N)c[nH]c12 851210060 RDUAAESUWJSHCZ-CYBMUJFWSA-N 298.386 3.890 30 20 CHED C=CC(C)(C)CCOC(=O)c1nc(C(C)C)oc1C 851300313 QQUPJCZVKUXLOE-UHFFFAOYSA-N 265.353 3.866 30 20 CHED Cc1ccc2c(c1)C(=NNc1cncc(Cl)n1)CCC2 753923997 JZAIGBHYHAGATH-UHFFFAOYSA-N 286.766 3.591 30 20 CHED C#C[C@@H](CC)NC(=O)N(C)Cc1c(Cl)cccc1Cl 753248694 SOHNDENFMOGTSG-JTQLQIEISA-N 299.201 3.547 30 20 CHED CCCCCC(=NNC1CCOCC1)c1ccccc1 757589038 CJXWIBQIJJBGDH-UHFFFAOYSA-N 274.408 3.740 30 20 CHED C=CCCOCC(=O)Nc1cc(C)cc(C(F)(F)F)c1 683122726 MGLZXDSQQWCTSO-UHFFFAOYSA-N 287.281 3.545 30 20 CHED CCC(C)(C)CC(=O)OCc1cc(F)ccc1C#N 759361181 VLTRVBKYYDSNSL-UHFFFAOYSA-N 263.312 3.567 30 20 CHED COc1ccc(NN=Cc2cccc(OC(F)F)c2)cc1 750925013 PJLSOXYAMWQXRB-UHFFFAOYSA-N 292.285 3.743 30 20 CHED C=CCCCN=[S@@](=O)(c1ccccc1)C(F)(F)F 853726036 CJRLQQKNSJTLFT-GOSISDBHSA-N 277.311 4.000 30 20 CHED CCCCCCCNC(=O)N[C@H](C)c1c(F)cncc1F 858113152 CRRKMHIUFINLHL-LLVKDONJSA-N 299.365 3.690 30 20 CHED CC(C)Oc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1 924634911 WIHKTJOFZLKQRL-AWEZNQCLSA-N 274.408 3.892 30 20 CHED N#CCCCCOC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 756373650 YGQZAQXTAVZROQ-RRFJBIMHSA-N 263.381 3.830 30 20 CHED FC(F)(F)Oc1cccc(CC=NOC/C=C/Cl)c1 853348033 XSWKXYVNGRLNLX-HLXRNUFJSA-N 293.672 3.883 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)CCc1ccc(O)cc1 924946198 MCZKGKKGQZZJRU-KGLIPLIRSA-N 274.408 3.631 30 20 CHED CCO[C@H]1CC(=NNc2ncc(Cl)cn2)C1(CC)CC 857223517 SXHQWTBXRWHWKQ-LBPRGKRZSA-N 296.802 3.513 30 20 CHED C=CCCOC(=O)C[C@H](CC)c1ccc(OC)cc1 751809004 TVXWBMCHCBCFMJ-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED CCCC(Cc1ccccc1)=NO[C@@H]1CCCCO1 755822685 HSDWGNHNXRCUQC-MRXNPFEDSA-N 261.365 3.928 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CC[C@@H]1CC1(Cl)Cl 851202898 MXXMPZOHNCJFTR-VHSXEESVSA-N 292.206 3.832 30 20 CHED C(=NOCc1ccccc1)c1c(C2CC2)nc2sccn12 755633573 WAYIXMFOTSNQOE-UHFFFAOYSA-N 297.383 3.824 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=Cc1ccncc1 753946643 JCXVPFIXHIGGIY-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C#C[C@](C)(CC)NCc1nc(-c2ccccc2)oc1C 852096888 HNBFCJQLHPBJFH-QGZVFWFLSA-N 268.360 3.542 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 755324690 AEBGBKZSSJCZSM-CHWSQXEVSA-N 258.365 3.574 30 20 CHED CCC(=NNc1ccccc1)c1ccc(C(=O)O)cc1 760219018 STEVZHXTCVMDHS-UHFFFAOYSA-N 268.316 3.611 30 20 CHED CC(=NNc1c(F)cccc1F)c1occc1C 767785130 LGJXTJNSILBVGA-UHFFFAOYSA-N 250.248 3.702 30 20 CHED CC(=NOCC(F)(F)F)c1ccc(Cl)cc1 764838350 CLEVPTOICATXDA-UHFFFAOYSA-N 251.635 3.643 30 20 CHED C[C@@H](COCC1CCCCC1)NCCC(C)(C)C#N 932421781 DYBRZGQMRSDJNA-AWEZNQCLSA-N 266.429 3.501 30 20 CHED C#C[C@H](C)N(C)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 767231529 GOQXMQIQPVNAPN-ZDUSSCGKSA-N 291.822 3.779 30 20 CHED CC(=NN=C1C[C@@H](c2ccccc2)C1(C)C)c1cnccn1 768484195 DYIGTZTUWKTIHX-HNNXBMFYSA-N 292.386 3.855 30 20 CHED C#Cc1cccc(NC2CCC(C(=O)OC(C)(C)C)CC2)c1 766444503 CHXXDNKBAHMSRC-UHFFFAOYSA-N 299.414 3.980 30 20 CHED Cc1cc(C=NNc2ncccc2Cl)cnc1Cl 760252861 FJYWMZYSBXSIAF-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(COC)o1 764697403 CZVOKPGHBRSVMJ-ZDUSSCGKSA-N 266.385 3.708 30 20 CHED COCCC1(C=NNc2cccc(C)n2)CCCCC1 863159675 BJYSBNNIBCLXHG-UHFFFAOYSA-N 275.396 3.775 30 20 CHED N#Cc1ccc2[nH]cc(C=NNc3cc(F)cc(F)c3)c2c1 760252932 GOFCHPUWKYEEBC-UHFFFAOYSA-N 296.280 3.764 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1C#N 766489510 DJQGFKFMLOQKMB-SOFGYWHQSA-N 272.307 3.634 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@]1(CO)CCC 768949239 AUNIWIRFYAKOAQ-QGZVFWFLSA-N 283.456 3.891 30 20 CHED C=CC[C@@H](N[C@H](COC)Cc1ccccc1)c1ccncc1 766020904 QVZSBDSHIDLHFR-RBUKOAKNSA-N 296.414 3.546 30 20 CHED COc1ccsc1C=NNc1cc(C)cc(C)c1 764661146 COQVQHGYJZZZGD-UHFFFAOYSA-N 260.362 3.820 30 20 CHED C#C[C@H](OC(=O)c1ccc(-c2ccco2)s1)C1CC1 767515780 MDVYIYZKIFDLHR-NSHDSACASA-N 272.325 3.577 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1CCC[C@H](C2CC2)C1 1118105433 VOGWLXRHNYAMLH-ZWKOTPCHSA-N 281.399 3.513 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cccc(Nc2ccccc2)c1 769646731 ZXBYHPTVCPCJSB-AWEZNQCLSA-N 278.355 3.524 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(C#N)c2)cnc1Cl 760262909 MKHHLOFVHAYPJW-WAYWQWQTSA-N 282.730 3.811 30 20 CHED COC[C@H](C)NN=Cc1cc(C)n(C2CCCCC2)c1C 777901413 KYRFEUYMTOHVEU-ZDUSSCGKSA-N 291.439 3.569 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 879427048 XRRUBTJPYRTEHS-QWRGUYRKSA-N 277.330 3.778 30 20 CHED CS[C@@H](C)CCC(=O)N(C)c1ccc(C#N)c(Cl)c1 876167498 QAKGFIMFUJMWOM-JTQLQIEISA-N 296.823 3.706 30 20 CHED C#CCCCCCC(=O)Nc1ccc2[nH]c(C)cc2c1 779880767 DCKJVCGTMIDFLD-UHFFFAOYSA-N 268.360 3.999 30 20 CHED CCN(C)c1ccc(CN(C)Cc2cccc(C#N)c2)cc1 773734344 QUWINXLHAWWXPG-UHFFFAOYSA-N 293.414 3.646 30 20 CHED CC(Cc1cccs1)=NNc1ccc2[nH]ncc2c1 779819583 VAVCPJBQZJOPGU-UHFFFAOYSA-N 270.361 3.655 30 20 CHED C=C(CC)CN(Cc1ccco1)Cc1ccccc1O 773457285 YVMVYOPRIQHSAP-UHFFFAOYSA-N 271.360 3.954 30 20 CHED C=C(CC)COC(=O)c1cc(C)oc1C(F)(F)F 770478017 NXMBPLIHJNDXNL-UHFFFAOYSA-N 262.227 3.730 30 20 CHED CCC(C)(C)c1ccc(COC(=O)C(C)(C)C#N)cc1 776108867 VCBMVPABBMHTSI-UHFFFAOYSA-N 273.376 3.967 30 20 CHED C=C(Cl)CN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 773005049 NNXGWMRDTCXGOR-NEPJUHHUSA-N 253.773 3.529 30 20 CHED CCN(C(=O)Cc1ccccc1CC#N)c1ccccc1C 776786248 SZXBUWRLAPNTJJ-UHFFFAOYSA-N 292.382 3.657 30 20 CHED C=C[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 1123634247 IBNGTRVFSCBUKK-SJORKVTESA-N 282.387 3.545 30 20 CHED Cc1ccccc1CCC(=O)OCc1ccc(CC#N)cc1 776111402 FQYMAZHTSKVSMT-UHFFFAOYSA-N 293.366 3.737 30 20 CHED Cc1nc(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)ccc1C#N 1128211782 UFLVAFOABFRDIV-GOEBONIOSA-N 299.418 3.596 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(C#N)c1 1125865818 JBGPWINLBUXFRF-WMLDXEAASA-N 284.403 3.955 30 20 CHED CC(=NNC1CCCCC1)c1cnn(-c2ccccc2)c1C 786042286 PKQNPOQBWNVLSQ-UHFFFAOYSA-N 296.418 3.827 30 20 CHED N#Cc1ccc(NN=Cc2cccs2)cc1Cl 783881327 WEXLDWZHPYUNJF-UHFFFAOYSA-N 261.737 3.719 30 20 CHED C=C(CC)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 1123896693 PRLYCYOGYGTNBM-JTQLQIEISA-N 291.782 3.702 30 20 CHED C[C@@H]1CC[C@H](/N=C/c2cc3ccccc3nc2O)C1 780148445 GIDBWLAGCILEFV-QNLGGLICSA-N 254.333 3.548 30 20 CHED CCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)NC2 789553117 JLQCMQBATBIDLS-UHFFFAOYSA-N 289.375 3.586 30 20 CHED C[C@H]1CCCCC1=NNc1nnc(-c2ccccn2)s1 788028715 QBRWRIZNRWBPHS-JTQLQIEISA-N 287.392 3.578 30 20 CHED CC(C)(C)CCCOC(=O)c1c(F)cc(C#N)cc1F 781192649 SQRMHBWXRGXFEU-UHFFFAOYSA-N 281.302 3.820 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCCCC(C)(C)C#N)c1 783760190 HLDLTRIIKBUCOC-CQSZACIVSA-N 273.376 3.972 30 20 CHED CCCCS[C@H](C)C(=O)O[C@H](C#N)C1CCCCC1 785755160 SLTRGDRTVJGFFY-TZMCWYRMSA-N 283.437 3.924 30 20 CHED CC(Cc1ccccc1F)=NNc1cnc2ccccc2n1 780216866 XZVQVIGFCILVEV-UHFFFAOYSA-N 294.333 3.799 30 20 CHED CCOc1c(Cl)cccc1C=Nn1cnc2ccccc21 782184585 IYTREJOHAQLMLE-UHFFFAOYSA-N 299.761 3.971 30 20 CHED COc1ccc(NN=Cc2ccco2)c(C(F)(F)F)c1 793097003 ARVOXJIFRBVDSN-UHFFFAOYSA-N 284.237 3.753 30 20 CHED C=CCC(C)(C)C(=O)OCc1cccc(OC(F)F)c1 796454207 AUGIPWOXEJQQFW-UHFFFAOYSA-N 284.302 3.934 30 20 CHED C[C@H](CCC1CC1)NC1CC(C#N)(c2ccccc2)C1 398050511 ADMACVNDYWNZHE-RWBZWWBESA-N 268.404 3.779 30 20 CHED Cc1cc(CN2CC[C@@H](C)C3(CCC3)C2)ccc1C#N 1205335097 PDAAYHOKZFLMSW-OAHLLOKOSA-N 268.404 3.879 30 20 CHED CC1(C)CCC[C@H]1OC(=O)/C=C\c1ccccc1C#N 799464451 ZKHBAIIZODQLQQ-FJVVXJACSA-N 269.344 3.693 30 20 CHED C#CC[C@@H](NCc1oc(CCC)nc1C)c1ccccc1 794464320 YVUINVUPZXNYCP-MRXNPFEDSA-N 282.387 3.790 30 20 CHED C[C@H]1C[C@H](NCc2ccc(C#N)s2)CC(C)(C)C1 553383010 ZUGWIUKPTBYGFF-RYUDHWBXSA-N 262.422 3.924 30 20 CHED CC1(C)CCc2ccccc2C(=NNc2ncncc2F)C1 793217128 AUWLOERKCCEQHG-UHFFFAOYSA-N 298.365 3.794 30 20 CHED CCCCCCCNCc1csc(C(=O)O)c1 705909585 MMKDEICFUIEFGW-UHFFFAOYSA-N 255.383 3.506 30 20 CHED FC(F)C1CCC(=NNc2cccc(Cl)n2)CC1 793163036 WCQJFJPTVDDPHE-UHFFFAOYSA-N 273.714 3.958 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCc2nc(C)ncc2C1 793521558 CNTLTUPWQSAIQC-YOEHRIQHSA-N 287.451 3.757 30 20 CHED CCCCCCCC(=O)N1CC[C@H](c2ccccn2)C1 798711124 PEFYSOANADFREN-HNNXBMFYSA-N 274.408 3.758 30 20 CHED FCC[C@@H]1CCCC1=NNCCCOc1ccccc1 794909823 RYWRWCXCZIOJMW-AWEZNQCLSA-N 278.371 3.561 30 20 CHED CCOc1ccc(/C=C2/COc3cc(F)ccc3C2=O)cc1 794728679 UHIRPIHKBIPJEI-LCYFTJDESA-N 298.313 3.883 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CCc1cccs1 799442848 BJVLVCBEVHJGHW-UHFFFAOYSA-N 285.368 3.720 30 20 CHED C=CCOCCOC(=O)c1ccccc1SC(C)C 797312357 VPCCFGGJYXLOFX-UHFFFAOYSA-N 280.389 3.547 30 20 CHED C#C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(C)C 799044813 TYSLDJDYYLZIKW-KRWDZBQOSA-N 297.423 3.706 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](CCC)C(C)C)c1 764009696 MPIYRYNZQBKMPI-MRXNPFEDSA-N 257.377 3.703 30 20 CHED CCN(Cc1ccc(OC)c(C#N)c1)C1CCCCC1 87833104 ZDKNYSXLRRDYLY-UHFFFAOYSA-N 272.392 3.721 30 20 CHED N#Cc1c(F)cccc1N1CC=C(c2ccccc2)C1 775684815 KZDMAIDQMGROPU-UHFFFAOYSA-N 264.303 3.601 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CNc1cccc(OCC#N)c1 785978871 KATWAWYDKYLOBH-WMLDXEAASA-N 270.376 3.993 30 20 CHED CC(C)c1ccc2cc(C(=O)OCC3(C#N)CC3)[nH]c2c1 1319825497 LQLXNPUSUZGKGZ-UHFFFAOYSA-N 282.343 3.752 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1CCOc1cccc(C#N)c1 1168124281 DCYHQUFYOYDDHR-QAPCUYQASA-N 286.419 3.838 30 20 CHED CC[C@@H](CNc1cccc(CC#N)n1)Oc1ccccc1C 1320359665 QKFGDZAJHBXPKQ-INIZCTEOSA-N 295.386 3.726 30 20 CHED C#CCCCCc1nnc(COc2ccc(C)c(C)c2)o1 1322128163 GQRQFCYKINKDFH-UHFFFAOYSA-N 284.359 3.611 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@@H](C)n1cccc1 1326071599 NQBWJJMRSAOKKS-MRXNPFEDSA-N 298.386 3.586 30 20 CHED Cc1ccc(NN=Cc2c[nH]c3ncccc23)cc1Cl 1322058426 JQQHOJQNZAVEPY-UHFFFAOYSA-N 284.750 3.971 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 1336388610 JWCUSNVYSFEEQL-IRXDYDNUSA-N 282.387 3.641 30 20 CHED C=CCCC(=O)Nc1cc(-n2cccc2)ccc1F 1338367328 VNIDCJMHDCTZAO-UHFFFAOYSA-N 258.296 3.521 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H](C)C(C)(C)C2)c1C#N 1186061340 GDZKNSUGLYULPY-SNVBAGLBSA-N 277.799 3.788 30 20 CHED N#Cc1ccc(NN=C2CCC(=C3CCC3)CC2)nc1 1330911741 VLMUXOZMSVMFBB-UHFFFAOYSA-N 266.348 3.776 30 20 CHED CCCn1c(C(=O)N(CC)[C@@H](C#N)CC)cc2ccccc21 1338328222 KATPAXJVYAFWSP-OAHLLOKOSA-N 297.402 3.816 30 20 CHED C=CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(C)C 1341538620 RKYGIGQMZLSXQV-GFCCVEGCSA-N 264.438 3.664 30 20 CHED Cc1ccccc1[C@H](C)C(=O)O[C@H](C)C(C)(C)C#N 1345132868 RVANQQDGSKRLII-QWHCGFSZSA-N 259.349 3.580 30 20 CHED Cn1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1-c1ccccc1 1347230364 GDAYNCASLHSXNZ-HIFRSBDPSA-N 294.354 3.541 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N(C)c1ncc(C#N)cc1F 1458100743 WEVRDYVYWXCWNX-VIFPVBQESA-N 291.276 3.568 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N2CCCc3cc(C#N)ccc32)C1 1526493684 NJPDUPWTSGQQDO-HALDLXJZSA-N 296.414 3.910 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1cc(C#N)ccc1F 1466788922 QYEKEZAKUKNYBF-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C[C@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccsc1 1531984879 LBEFFHWDBNWHTB-VIFPVBQESA-N 274.320 3.501 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc2ccncc12 1533221145 LXMHNOGVDKDDCU-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)(C)C1CCC(CC(=O)N2CCC[C@H](C#N)C2)CC1 1471765623 AHCOHAQDIABIQR-HWOWSKLDSA-N 290.451 3.991 30 20 CHED O=C(O)c1csc(C(=O)/C=C/c2cc(F)ccc2F)c1 1610870630 MGVDMZDWNCQFND-DAFODLJHSA-N 294.278 3.621 30 20 CHED Cc1cccc2c1N(C(=O)Nc1ccc(F)c(C#N)c1)CC2 1623025759 XVWWJFNADHQMDZ-UHFFFAOYSA-N 295.317 3.600 30 20 CHED Cc1cccc(CN(CCC#N)CC(C)(C)C)c1F 1621144540 JCRBCBCPFOZNQH-UHFFFAOYSA-N 262.372 3.896 30 20 CHED Cc1cc(CNc2c(C#N)cnc3c(Cl)cccc23)on1 1639346162 YZJWLXXVNPPPDT-UHFFFAOYSA-N 298.733 3.668 30 20 CHED CCOC(=O)[C@@H](Sc1ccc(Cl)cc1C#N)C(C)C 1640957186 IKGIGGJHBQBKLJ-ZDUSSCGKSA-N 297.807 3.891 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2ccnc(C#N)c2)C1(C)C 1655669984 PPBJFMMISMTDRX-ZDUSSCGKSA-N 271.408 3.994 30 20 CHED CSc1ccc(NCCCC(C)(C)C#N)cc1C(=O)O 1599821047 WZMLGGPDLCCQAE-UHFFFAOYSA-N 292.404 3.849 30 20 CHED COc1ccc(C(=O)O)cc1CSCCC(C)(C)C#N 1599499382 FTWHRARUMJCQIS-UHFFFAOYSA-N 293.388 3.566 30 20 CHED CC(C)C[C@H](Sc1cccc(C#N)c1Cl)C(=O)O 1591190881 CEGHIOMNUNLFNH-NSHDSACASA-N 283.780 3.803 30 20 CHED N#CCc1ccnc(NC(=O)Nc2ccc(C3CC3)cc2)c1 1679668469 JIJZWBNXDKLGBP-UHFFFAOYSA-N 292.342 3.669 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)NCC(C)(C)CC#N 1673509909 YOWRGBIVXBISEJ-CQSZACIVSA-N 279.428 3.536 30 20 CHED C=CCC1(C(=O)O)CCN(CCSCCCCC)CC1 1776161170 OHTUGDHPFDHHLK-UHFFFAOYSA-N 299.480 3.653 30 20 CHED C=C[C@@H]1CCCC(=NNc2cccc(C(=O)O)c2C)C1 1776089478 UHCZLLVKDXNCRY-GFCCVEGCSA-N 272.348 3.837 30 20 CHED C=CCc1ccccc1CN[C@H]1CCC[C@H](C(=O)O)CC1 1776189704 ROXATLWLGCPRAL-RDJZCZTQSA-N 287.403 3.538 30 20 CHED N#Cc1ccccc1NC(=O)Cc1ccc2ccccc2c1 13973190 SYBANMGNLPHOCM-UHFFFAOYSA-N 286.334 3.893 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1c(C)cccc1C 150899826 KPYNLFRBMWTRHV-UHFFFAOYSA-N 288.435 3.920 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](C)C2CCC2)c1 161577777 OEAFIGXAFDWMAW-GFCCVEGCSA-N 274.364 3.562 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1cc(C)ccc1OC 160143738 IYAWOJMJHXREET-AWEZNQCLSA-N 292.375 3.591 30 20 CHED CCSCC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 164592198 BRRZAVNVHKSOMJ-STQMWFEESA-N 262.422 3.741 30 20 CHED COc1ccccc1CN(C)Cc1ccc(C#N)cc1C 165450507 LVFOZQBCBVDPSZ-UHFFFAOYSA-N 280.371 3.507 30 20 CHED N#Cc1ccc(CNCCc2cc3ccccc3o2)cc1 152578144 XFNXUNCKQXLBNZ-UHFFFAOYSA-N 276.339 3.637 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)COc2ccccc21 209182146 XYYGOTGOCLHBLH-XFFZJAGNSA-N 272.250 3.624 30 20 CHED CCC(CC)CC(=O)N[C@@H](CCC#N)c1ccccc1 153584036 VTXFDTGJCGOGCP-INIZCTEOSA-N 272.392 3.974 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CCC)c1ccc(F)cc1F 155129253 KNMSPULVAYKYKP-HZMBPMFUSA-N 282.334 3.680 30 20 CHED C=CCN(C)C(=O)Nc1cccc(C(F)(F)F)c1C 157595357 OGKRUDXVCVCLMC-UHFFFAOYSA-N 272.270 3.664 30 20 CHED CC(C)(C#N)CCN1CCC(c2nc3ccccc3o2)CC1 157380409 QMWLWLJSZYNWSO-UHFFFAOYSA-N 297.402 3.947 30 20 CHED C=CCN(C)C(=O)Nc1cccc(Oc2ccncc2)c1 157409617 FWNGRCRZKANDDU-UHFFFAOYSA-N 283.331 3.524 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)n(C(C)(C)C)n1 156769424 MIUOEDDODNNZJS-UHFFFAOYSA-N 291.439 3.765 30 20 CHED C[C@@H](CNc1nc2c(cc1C#N)CCC2)c1ccccc1 159288999 WIRLERDRPWWNHY-ZDUSSCGKSA-N 277.371 3.658 30 20 CHED N#CCOc1ccc(NCc2cccc(Cl)c2F)cc1 125152480 DYSLLWKOUGBFLV-UHFFFAOYSA-N 290.725 3.994 30 20 CHED C=CCCC[C@@H](C)NC[C@@H](O)c1cccc(Cl)c1 819210165 TZSHQTMNYPNDLS-IUODEOHRSA-N 267.800 3.708 30 20 CHED N#CC1(C(=O)NC2CCCCCCC2)CCCCC1 44385330 VVRJAMBILQDFLK-UHFFFAOYSA-N 262.397 3.690 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H]1C=CCC1 45934534 RIZZDAMGXSILMW-OAHLLOKOSA-N 255.361 3.558 30 20 CHED CCCCCS[C@H](C)C(=O)Nc1cccc(C#N)c1 180720255 AVOPNXMXMKTBDA-GFCCVEGCSA-N 276.405 3.809 30 20 CHED N#Cc1cc(NCc2ccccc2C(F)(F)F)ccn1 61812337 IVRNKKDTZSLQMF-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CC[C@H]1CCCC[C@H]1CNCc1ccc(C#N)cc1 401734967 FXYXICBLQZBFAT-IRXDYDNUSA-N 256.393 3.864 30 20 CHED CC[C@H]1CN(CCCCC(C)(C)C#N)[C@@H](CC)CO1 403905526 WSXWGOKXAUPHOX-GJZGRUSLSA-N 266.429 3.596 30 20 CHED CC1CCN(c2cc(Br)c(C#N)cc2F)CC1 310385077 DIMBCGGITITSNW-UHFFFAOYSA-N 297.171 3.696 30 20 CHED N#CC1(CN2CCc3c(Br)cccc32)CCC1 420973133 MEADHVLAPTUEIE-UHFFFAOYSA-N 291.192 3.505 30 20 CHED C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F 389249098 BURAJCOMGYAINX-LURJTMIESA-N 289.194 3.885 30 20 CHED CSC(C)(C)CCNc1cccc(OCC#N)c1 385201002 FPHFGVQIDUSVEG-UHFFFAOYSA-N 264.394 3.533 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(F)c(Br)c1 767087343 RJBPMELUWGREHB-UHFFFAOYSA-N 298.155 3.576 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)ncc1Cl 785862269 XNIGTUNIIVHWMN-VIFPVBQESA-N 285.174 3.569 30 20 CHED Cc1ccc(NC(=S)NN=C2CCCC2)c(C)c1 7008096 KHNIDAVIMFATAJ-UHFFFAOYSA-N 261.394 3.520 30 20 CHED N#Cc1cccc(NC(=O)/C=C/Sc2ccccc2)c1 7956112 KTXPGQCBYMNIEJ-MDZDMXLPSA-N 280.352 3.803 30 20 CHED N#Cc1ccc(CCC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 54277202 SHUYAGZYIJXTOU-QZTJIDSGSA-N 296.414 3.672 30 20 CHED N#C[C@H](OC(=O)c1cccc(Oc2ccccc2)c1)C1CC1 176077248 VMUSOILRXRQXKP-KRWDZBQOSA-N 293.322 3.938 30 20 CHED Cc1cccnc1[C@@H](NCc1ccc(C#N)cc1)C(C)C 172037867 ADUIUJXINWJLNS-KRWDZBQOSA-N 279.387 3.749 30 20 CHED C=CC1CCN(C(=O)Nc2cccc3[nH]ccc23)CC1 111747018 AWZIOVFXEGMYJV-UHFFFAOYSA-N 269.348 3.598 30 20 CHED CC(=O)Nc1ccc(Cl)cc1NCc1ccccc1C#N 58469659 ZHYGGQYBWNZIBG-UHFFFAOYSA-N 299.761 3.782 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1C 116972618 GEONEDLJHCFIDX-GOEBONIOSA-N 272.392 3.806 30 20 CHED C[C@@H]1CCCN1c1ccc(C#N)cc1C(F)(F)F 172811367 OJFRBRJXEBUHJP-SECBINFHSA-N 254.255 3.566 30 20 CHED N#Cc1cccnc1NCCc1ccccc1C(F)(F)F 64915760 GOFGWSQGRNNJND-UHFFFAOYSA-N 291.276 3.627 30 20 CHED N/C(=N/CCc1ccc(Cl)s1)NC1CCCCCC1 305750021 YOMVMWWUKWKACE-UHFFFAOYSA-N 299.871 3.571 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1cccc(OC)c1 179673622 HWMOVUMINJSKOJ-QGZVFWFLSA-N 285.387 3.552 30 20 CHED CC(C)SCCNc1cc(Cl)ccc1C#N 304245470 FNNUFWUBRNCVRM-UHFFFAOYSA-N 254.786 3.765 30 20 CHED C#CCCCCC(=O)N(CC)[C@H](C)c1cccc(OC)c1 119596417 QZKYXASEGPCAOQ-OAHLLOKOSA-N 287.403 3.798 30 20 CHED Cc1ccc(CNc2ccc(Cl)c(C#N)n2)s1 67368253 AHDBJUJXNPBYPS-UHFFFAOYSA-N 263.753 3.589 30 20 CHED Cc1ccc(F)c(C(=O)Nc2cccc(C#N)c2C)c1 178380340 BVRAXMRRGAPCRN-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1c(C#N)cccc1NCc1nc(-c2ccccc2)no1 179058068 GCJKSKPTWSVVFN-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CCCc1nc(C[S@](=O)CCCC(C)(C)C#N)cs1 178022955 DFWRPMWNTYEWNW-LJQANCHMSA-N 298.477 3.674 30 20 CHED C=CCN1CCC(N[C@@H]2CCCc3ccc(C)cc32)CC1 178958100 CCUVEOQQEXGVDZ-LJQANCHMSA-N 284.447 3.612 30 20 CHED C=CCc1cc(CN(C(C)C)C2CC2)cc(OC)c1O 179484761 CPCZJOPFNICPMV-UHFFFAOYSA-N 275.392 3.502 30 20 CHED N#CCCCC[S@@](=O)Cc1csc(C2CCCC2)n1 172833914 GRIWWJQKHMAWJG-LJQANCHMSA-N 296.461 3.743 30 20 CHED Cc1nc(CCNc2cc(Cl)ccc2C#N)sc1C 301693860 YWFDPINPFRHVJX-UHFFFAOYSA-N 291.807 3.940 30 20 CHED C#CCCCCC(=O)OCc1ccc(Cl)cc1 120369383 OOMVFVBOAUUUEX-UHFFFAOYSA-N 250.725 3.577 30 20 CHED Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c(Cl)c1 434018748 RWEUPKMNODKGDZ-AWEZNQCLSA-N 290.794 3.803 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2occ(C)c2c1 188026718 JZFIAWIDAFVYRM-UHFFFAOYSA-N 258.321 3.781 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H]1CC=CCC1 121356808 XNGWQCRMETYKEN-KRWDZBQOSA-N 269.388 3.600 30 20 CHED CC(C)CCc1nc(C[S@](=O)CCCCC#N)cs1 78715994 UDNPCCMIMUGQRZ-IBGZPJMESA-N 298.477 3.674 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 128449002 GVRPLUBBXNLNIZ-NHYWBVRUSA-N 276.355 3.541 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCC(=O)c1ccccc1 182586578 RQVDMMJIBVUVBQ-CQSZACIVSA-N 273.376 3.511 30 20 CHED N#CCCC[S@](=O)Cc1cc(Cl)sc1Cl 417229567 XTONDCNYVOVRLJ-HNNXBMFYSA-N 282.217 3.607 30 20 CHED C=CC[C@H](CC)NC(=O)CCCOc1cccc(C)c1 410132038 BBRJFUQRMGZUAN-HNNXBMFYSA-N 275.392 3.625 30 20 CHED N#CCCN(Cc1ccco1)C(=O)c1csc(Cl)c1 189242612 GHSYFOFQMBAVMS-UHFFFAOYSA-N 294.763 3.551 30 20 CHED N#CC1(CNC(=O)c2ccc(-c3ccccc3F)o2)CCC1 416359559 QBKJYFUHFMEJFQ-UHFFFAOYSA-N 298.317 3.509 30 20 CHED C=CCC[C@H](C(=O)NCCCOC(C)C)c1ccccc1 188002301 YWBCKJAUDYQXJN-KRWDZBQOSA-N 289.419 3.668 30 20 CHED CN(C(=O)[C@@H]1CCCc2sccc21)c1cccc(C#N)c1 123052581 RXJFRKVQYNRRGC-OAHLLOKOSA-N 296.395 3.703 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CC12CC2 419534410 BNQRPVBUCIYTLF-OAHLLOKOSA-N 276.424 3.564 30 20 CHED CC[C@@H](CC#N)NC(=O)CCc1ccc2ccccc2c1 183911534 SQACROFFPCEYQW-KRWDZBQOSA-N 280.371 3.581 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(OC)ccc1OCC 187902804 VXZCCQHTJCWLHV-INIZCTEOSA-N 277.364 3.635 30 20 CHED C=CCCCC(=O)N[C@H](c1ccc(F)cc1)C(C)C 501596825 YNRVCJSQCGCTEY-INIZCTEOSA-N 263.356 3.995 30 20 CHED CCN(CCCSCC#N)[C@@H]1CCCC[C@@H]1C 120123970 SSMJUQBCSNKBJR-UONOGXRCSA-N 254.443 3.534 30 20 CHED Cc1ccc(C(C)(C)CN(C)CCCCC#N)cc1 75861716 GKVCFFYYJVUNEO-UHFFFAOYSA-N 258.409 3.898 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1F)N1CCc2ccccc21 506815164 QJZAHAWYAZAKIQ-ZDUSSCGKSA-N 295.361 3.560 30 20 CHED CCC1(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 411019071 SKGDRELJIDRQEJ-UHFFFAOYSA-N 262.740 3.535 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)CC1=CCCCC1 411059111 DQKOMUSVFCBOJN-UHFFFAOYSA-N 282.343 3.590 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)NCCCC#N)C1 413432364 CBVAWGVIFCCJJO-BHYGNILZSA-N 299.418 3.562 30 20 CHED CC(C)CC(CC(C)C)NC(=O)c1ccc(C#N)cc1 504593155 PTELJBRBIAOGQC-UHFFFAOYSA-N 272.392 3.749 30 20 CHED CC(C)(CC#N)CNc1ccc(C#N)cc1C(F)(F)F 413415297 WLIXZNZGYBVRLI-UHFFFAOYSA-N 281.281 3.929 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCC1(C)C 78531453 XFKRRJKJJLGGHT-AWEZNQCLSA-N 271.364 3.567 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc(Cl)cc1 410136101 UMYHKFQZKJIEMC-CQSZACIVSA-N 265.784 3.744 30 20 CHED C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(F)cc1F 181579059 QVVRCCYMAZXWOF-LBPRGKRZSA-N 289.300 3.806 30 20 CHED C=CCOCCCC(=O)Nc1c(CC)cccc1CC 73850487 QNBOANUKAQEVNQ-UHFFFAOYSA-N 275.392 3.733 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)o1 189514093 VLXLRNNYHCYVEU-HZPDHXFCSA-N 280.371 3.652 30 20 CHED CO[C@H]1Cc2ccccc2N([C@H](C)c2ccc(C#N)cc2)C1 502508212 COMAHJOZNUQBDM-KDOFPFPSSA-N 292.382 3.697 30 20 CHED COc1ccc(O)c(CN[C@@H](CCC#N)c2ccccc2)c1 182655919 CRUGYUQKDHNMDB-KRWDZBQOSA-N 296.370 3.535 30 20 CHED CSCCCC(=O)Nc1sc(C(C)(C)C)cc1C#N 411004460 CJEKKRFHISWRHJ-UHFFFAOYSA-N 296.461 3.999 30 20 CHED N#Cc1ccc(NC2CC2)c(N=C(O)[C@@H]2C[C@@H]2C2CC2)c1 329117941 UUSFETOHJPHFFO-ZIAGYGMSSA-N 281.359 3.767 30 20 CHED N#CCC[C@@H](NCc1ccc(F)cc1)c1ccccc1 130585416 SLNLRMXNPIVKEW-QGZVFWFLSA-N 268.335 3.960 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC(F)(F)F)cc1 410141458 UTGJSSDBPWIQQO-NSHDSACASA-N 287.281 3.670 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)CC(F)(F)F 414276646 YGTKJOIYAGXPRP-VOMCLLRMSA-N 262.319 3.637 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc2ncccc2c1 131177288 YVKXIQXHOHSCGM-UHFFFAOYSA-N 287.366 3.738 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)[C@H](C)C1 329869743 ZHKJHUGTORERRD-CXTNEJHOSA-N 288.391 3.787 30 20 CHED C[C@@H]1CCCCN(C(O)=Nc2nccn2-c2ccccc2)C1 328760456 XMRFUMTZXJRPLR-CQSZACIVSA-N 298.390 3.540 30 20 CHED N=C(O)C1(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 329171159 KKDHXFHFCPZUPZ-QJPTWQEYSA-N 264.369 3.617 30 20 CHED N#Cc1ccc(-c2nc([C@H]3CCc4ccccc43)no2)cc1 320033750 HTWXKOKMCANJCK-INIZCTEOSA-N 287.322 3.686 30 20 CHED N#Cc1csc(-c2nc(-c3cccc(Cl)c3)no2)c1 83980499 VNBDAJUAOZHVGW-UHFFFAOYSA-N 287.731 3.990 30 20 CHED CC[C@H]1CN(C(=O)C2(C#N)CCC2)CC[C@H]1c1ccccc1 80450794 ZJLYFBPAGIFFKA-DOTOQJQBSA-N 296.414 3.723 30 20 CHED CC(C)C1CCC(N2CCN(CCCCC#N)CC2)CC1 84680635 PUQHXSBIQASQPC-UHFFFAOYSA-N 291.483 3.513 30 20 CHED CCC[C@@H]1C[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 133519971 JBYBFHPHIBXKEA-OWCLPIDISA-N 285.391 3.519 30 20 CHED C[C@@H](/N=C(/O)CCC1CCOCC1)c1ccc(Cl)cn1 329534105 YNOZPVXFVITNNM-LLVKDONJSA-N 296.798 3.959 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 190940267 WNWHWFANQOTQSX-RHSMWYFYSA-N 299.418 3.668 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(CN(C)C)ccc1C 135164647 RYAFTJQEAAGDCH-KRWDZBQOSA-N 274.408 3.597 30 20 CHED C=CCN(C(=O)Cc1c(CC)noc1CC)c1ccccc1 87086900 QQFLSJPBIWDBPI-UHFFFAOYSA-N 298.386 3.561 30 20 CHED C[C@H](N(C)c1c(F)cc(C#N)cc1F)C(C)(C)C 83530037 CJDVZKUJBJDJTI-VIFPVBQESA-N 252.308 3.707 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)o1)c1cccc2ccccc12 427985037 OYMIPZNANLXMPV-GFCCVEGCSA-N 290.322 3.795 30 20 CHED C=CCC1(C(=O)Nc2ccc(Cl)c(C#N)c2)CCC1 191708602 IMJDNUHKAXRXJS-UHFFFAOYSA-N 274.751 3.897 30 20 CHED COc1ccccc1NC1CC(C#N)(c2ccccc2)C1 86035874 ZGRODTTVKCUYBO-UHFFFAOYSA-N 278.355 3.731 30 20 CHED C=CCOCCCC(=O)N1CCC(C)(CC(C)C)CC1 519244154 ZUSFKWTWMOARLI-UHFFFAOYSA-N 281.440 3.644 30 20 CHED Cc1ccc(C)c(N=C(O)NC2(CCO)CCCCC2)c1 331034858 ABMCNHKRBCXJLU-UHFFFAOYSA-N 290.407 3.524 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@@](C)(C#N)CC(C)C)c1 330478602 KVMZTPCQYUOFTE-RHSMWYFYSA-N 272.392 3.543 30 20 CHED CCN(Cc1csc(Cc2ccccc2)n1)C[C@@H](C)C#N 513429897 KMAMBGIQQGZGPV-AWEZNQCLSA-N 299.443 3.715 30 20 CHED N#C[C@]1(C(=O)Nc2ccc3ccccc3n2)CC12CCCC2 333230709 UMFGVHFZYONHRL-SFHVURJKSA-N 291.354 3.647 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(-c3nccs3)c2)C1 335381736 ZADPTDSJEOVJCN-RISCZKNCSA-N 269.373 3.914 30 20 CHED CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1Cl 424967218 PWICFSIYSCSGOA-WCQYABFASA-N 290.794 3.885 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@H](c1ccccc1)C1CC1 431312284 IOAWSRWSUNATHS-IAGOWNOFSA-N 286.419 3.834 30 20 CHED CCc1ccc([C@H]2CCN(c3ncccc3C#N)C2)cc1 431476964 ZDPBZODRQSEMBA-KRWDZBQOSA-N 277.371 3.510 30 20 CHED C=C(C)CS(=O)(=O)N(c1ccsc1)C1CCCCC1 431596461 OMLYUBGMXPUWPI-UHFFFAOYSA-N 299.461 3.793 30 20 CHED C=CCOc1ccc(CN(C)[C@@H]2CC[C@@H](C)C2)cc1OC 433044934 ORIBMHZOOCMMBP-GDBMZVCRSA-N 289.419 3.880 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1F 334668463 HLSANXJNRRZKTB-QGZVFWFLSA-N 296.345 3.701 30 20 CHED Cc1cc(C)cc(C[C@H](C)NCc2ccc(C#N)cc2)c1 237522841 FMKLZLXONMKNCG-INIZCTEOSA-N 278.399 3.896 30 20 CHED CCC[C@H]1CCCCN1/C(O)=N/CCc1ccc(O)cc1 330825675 FMORLXOUUKXWDC-HNNXBMFYSA-N 290.407 3.503 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N2CCCC(C)(C)[C@H]2C#N)C1 434029982 FIFVEPRUBPRQQR-RBSFLKMASA-N 276.424 3.744 30 20 CHED COCc1ccc(NCc2cc(C)sc2C)cc1C#N 527761394 GCVRVASIUNGFPU-UHFFFAOYSA-N 286.400 3.995 30 20 CHED Cc1c(CNc2cc(C#N)ccn2)oc2ccc(F)cc12 341838086 CAOHRGZUETYOPX-UHFFFAOYSA-N 281.290 3.759 30 20 CHED C=CC[C@H](CC)NCc1ncc(-c2ccccc2)[nH]1 341466149 QCYDMKKYWSRLIG-AWEZNQCLSA-N 255.365 3.521 30 20 CHED CC1(C)CCC(c2noc(Cc3ccc(C#N)nc3)n2)CC1 528196760 JEXQORVNGXCYOU-UHFFFAOYSA-N 296.374 3.611 30 20 CHED N#C[C@@H](C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1nc2ccccc2o1 248745885 DDUJFAXLKWWTEG-XUXIUFHCSA-N 294.354 3.830 30 20 CHED C=CCn1c(SC2CCC2)nnc1-c1ccccc1F 430987879 LVXDKPRCLRKOSH-UHFFFAOYSA-N 289.379 3.915 30 20 CHED CC1(C)Cc2cccc(/C=C/c3ccncc3C#N)c2O1 349103877 DLBMWXDLNCAGAR-VOTSOKGWSA-N 276.339 3.837 30 20 CHED C=CCN(CCC#N)Cc1csc(Cl)c1Cl 430083819 IGJXZCPAWMOMLN-UHFFFAOYSA-N 275.204 3.957 30 20 CHED CCc1ccc(CN[C@H](C)c2ccc(C#N)cc2)o1 51723042 HWGJUBWOTFILFM-GFCCVEGCSA-N 254.333 3.564 30 20 CHED N#Cc1cccc(CNC/C=C\c2ccc(F)cc2)c1 255473242 OBHZWVBOZQHDBG-DJWKRKHSSA-N 266.319 3.500 30 20 CHED COc1cc(C#N)ccc1CN1CCC2(CCCC2)CC1 347226815 ATOKRAQCOBFOBV-UHFFFAOYSA-N 284.403 3.723 30 20 CHED C=CCCC1(C(=O)Nc2cc(Cl)c(O)cc2F)CC1 345613489 AWRKDHJQUVBGNB-UHFFFAOYSA-N 283.730 3.870 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(OCc2ccccc2)cc1 608975262 BLTPXVQJGFBKDF-MRXNPFEDSA-N 294.398 3.857 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1Cc1ccccc1C 604900838 POMAHIKGKYYKRR-WBVHZDCISA-N 286.419 3.676 30 20 CHED CC[C@@H](C)Oc1cccc(NCc2cccc(C#N)n2)c1 602487453 NEHIKIHOCIDCQK-CYBMUJFWSA-N 281.359 3.743 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)NCCCCC#N)CC(C)(C)C1 444109348 MBBCFFLQEOWRLE-HUUCEWRRSA-N 293.455 3.832 30 20 CHED CCOc1cc(/C=C2\Cc3ccc(F)cc3C2=O)ccc1O 255511165 HPVASIYLBBRLSQ-NTUHNPAUSA-N 298.313 3.752 30 20 CHED N#CCn1cc(-c2ccc(OC3CCCCC3)cc2)cn1 600792457 YCXXYCJEPGWBEF-UHFFFAOYSA-N 281.359 3.785 30 20 CHED CC(C)CN(Cc1ccccn1)c1ccc(C#N)cc1 357622689 DLVKCNCTJDDMDC-UHFFFAOYSA-N 265.360 3.616 30 20 CHED C[C@H](CCC#N)CNCCc1c[nH]c2cc(Cl)ccc12 602530220 FTHLTJKPXNFSGK-GFCCVEGCSA-N 289.810 3.893 30 20 CHED C=CCCCN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 441337211 AXJZKFJHCFVPSU-HNNXBMFYSA-N 292.854 3.985 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc2oc(=O)n(C)c2c1 449221571 KNXQJNFKEIEIKJ-GFCCVEGCSA-N 274.364 3.678 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)Nc1ccnc(C#N)c1 603130666 RZQKAHFLKQVIIS-OAHLLOKOSA-N 286.379 3.530 30 20 CHED CC(C)(c1noc(CSCC#N)n1)C1CCCCC1 445505507 SPACYLLDVSNZCX-UHFFFAOYSA-N 279.409 3.684 30 20 CHED Cc1csc2nc(/C=C\c3cccc(C#N)c3)nc(O)c12 358850562 AURQQRRHAKIKJV-WAYWQWQTSA-N 293.351 3.747 30 20 CHED Cc1ccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)s1 354609612 WWKZWLNLSLOARS-OAHLLOKOSA-N 298.411 3.760 30 20 CHED C=CCSCCN[C@@H]1CC(C)(C)Cc2occc21 358030557 AUKMEGFMCHFBPJ-CYBMUJFWSA-N 265.422 3.802 30 20 CHED C[C@@H](Nc1ncc(Cl)s1)c1cccc(C#N)c1 613181638 ONXBJJJNBZBTAR-MRVPVSSYSA-N 263.753 3.841 30 20 CHED C=C(CC)CSc1nnc(C)n1-c1ccccc1C 539112814 ICAOYPUSQWGGQF-UHFFFAOYSA-N 273.405 3.942 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)Cc1cccc(Cl)c1 535916865 AXRJFGBYTXBWTP-CYBMUJFWSA-N 292.810 3.669 30 20 CHED Cc1ccc(F)cc1CN[C@@H]1CCc2cc(C#N)ccc21 618741849 IKSMKWZCAXLROA-GOSISDBHSA-N 280.346 3.783 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)[C@@H](C)CC 354105666 DHDSAUIZCMYHHW-RYUDHWBXSA-N 273.380 3.611 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)c1cc(C#N)ccc1Cl 352973343 AOLKDNLJYRGUKM-HNNXBMFYSA-N 290.794 3.862 30 20 CHED N#Cc1cccc(SCc2c(F)cccc2F)n1 357592707 BCKLLHIDHWPUGW-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CCCc1cc(N2CC[C@@](F)(C#N)C2)c2ccccc2n1 615527048 UCOGMJWDXDUBFW-QGZVFWFLSA-N 283.350 3.629 30 20 CHED Cc1cc(-c2nnco2)ccc1N[C@H]1CCC[C@@H](C#N)C1 618574974 QPZFJKWRPGECFG-OCCSQVGLSA-N 282.347 3.539 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCC1(O)CCCCC1 360838118 AWFHJRCCEZCBMX-SFHVURJKSA-N 298.430 3.611 30 20 CHED C[C@@H](NC(=O)N[C@H](C)C1CCCCC1)c1cccc(C#N)c1 610352417 YSOHKXMRFNYWIV-ZIAGYGMSSA-N 299.418 3.887 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)[C@@H](C#N)CCc1ccccc1 457184115 BIPKGXWFJBXSIQ-GOEBONIOSA-N 286.419 3.700 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1Nc1ccc(F)cc1 539699003 VLAKOLXYIHPXET-LLVKDONJSA-N 283.306 3.667 30 20 CHED Cn1ccc2cccc(N[C@H](C#N)Cc3ccccc3)c21 615978540 WFAKEKWJWFYXHY-INIZCTEOSA-N 275.355 3.725 30 20 CHED Cc1cc(CNCC(C)(C)CC#N)ccc1Br 459729441 JTFTYEOVZIARDH-UHFFFAOYSA-N 295.224 3.787 30 20 CHED Cc1nsc(Nc2cnn(CCC(C)C)c2C)c1C#N 361043987 QMKOBRWYKLTVRQ-UHFFFAOYSA-N 289.408 3.618 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 279612147 QZIWGIUBPCGMQP-VXGBXAGGSA-N 275.314 3.556 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 450616558 BLKHZUJDRVEAFV-GVDBMIGSSA-N 284.403 3.769 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Sc1ccc(C)cc1 452773342 ASMMESNUJKUNDE-ZDUSSCGKSA-N 277.433 3.804 30 20 CHED CS[C@H](CNc1nc(C)cc(C)c1C#N)C(C)(C)C 544065885 ZPOQVPPGJAFQLL-CYBMUJFWSA-N 277.437 3.760 30 20 CHED Cc1ccc(-c2ccc(C(=O)N[C@@H](C#N)C(C)C)s2)o1 272841362 YFLKQVNWMGICMW-NSHDSACASA-N 288.372 3.595 30 20 CHED C=CCC[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 455983634 BEKMIFXPVBMXEU-BRSBDYLESA-N 299.414 3.768 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3ccccc3OC)C2)CCC1 276663543 QDXUUMJBQBFSCQ-OAHLLOKOSA-N 299.414 3.758 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1c1ccc(C#N)nc1 543994688 CNRNBIXKDNVCNK-GDBMZVCRSA-N 277.371 3.726 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)Cc1ccccc1Cl 456812603 NOSURYGGOZYNFC-LBPRGKRZSA-N 265.784 3.601 30 20 CHED Cc1ccc(NC(=O)CC(C)(C)C#N)c(Cl)c1 278173538 DKZGIBXTPGZVSG-UHFFFAOYSA-N 250.729 3.527 30 20 CHED C=CCN(C(=O)c1ncsc1C(F)(F)F)C(C)(C)C 622944873 INGRLURLNWOXKE-UHFFFAOYSA-N 292.326 3.589 30 20 CHED C=C(C)CCNC(=O)[C@H](CC)Sc1ccccc1 452724312 QOCAQEYYXGDTSB-AWEZNQCLSA-N 263.406 3.640 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2occ(C)c2c1 455178584 GIHGKUNABKGITF-UHFFFAOYSA-N 258.321 3.829 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)CSC 279568871 PNSOZCHKAYDOIP-AWEZNQCLSA-N 292.448 3.526 30 20 CHED C=CCN(C(=O)NCC(C)(C)C1CCCC1)C1CC1 540138400 OWFWDKJBKXCRAR-UHFFFAOYSA-N 264.413 3.563 30 20 CHED C=CCC1(CNC(=O)CC[C@@H](C)SC)CCCC1 456483566 HKSMXLUKPKCJPD-CYBMUJFWSA-N 269.454 3.771 30 20 CHED C=C(CC)CNC(=O)CCCCOc1cccc(C)c1 456831223 SYMPHTQPHGJCTH-UHFFFAOYSA-N 275.392 3.627 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F 629273375 XVQNMKHVWUTLHO-JGGQBBKZSA-N 279.330 3.539 30 20 CHED COc1ccc(C)cc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 274206261 MFXKUYZINIEHNX-ZNMIVQPWSA-N 272.392 3.737 30 20 CHED N#Cc1cc(CN2CCSc3ccccc32)ccc1F 468282845 VMJIWVPCKCWABK-UHFFFAOYSA-N 284.359 3.810 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)c1ccc(OC)cc1 281030495 HWCNYPDTJLHUGH-ZFWWWQNUSA-N 275.392 3.660 30 20 CHED CCCOc1ccc(/C=N/[C@H](C)C(F)(F)F)c(O)c1 287046482 IJMYGXNUUQDOAA-YFEDRJBBSA-N 275.270 3.551 30 20 CHED CCc1ccc(CN(C)Cc2ccc(F)c(C#N)c2)cc1 468293337 XFBSNKTUWFXLNL-UHFFFAOYSA-N 282.362 3.892 30 20 CHED CC[C@@]1(C)CCN(Cc2ccc(C#N)cc2OC(F)F)C1 468135786 GURCJWXBSJYSBW-INIZCTEOSA-N 294.345 3.782 30 20 CHED C=C[C@H](C)NC(=O)c1csc(-c2ccccc2Cl)n1 465106087 CMIXBKOYIAGCCB-VIFPVBQESA-N 292.791 3.768 30 20 CHED Cc1ccccc1C(C)(C)NCc1cc(C#N)cs1 550263298 WUBNNXDCNCUUJM-UHFFFAOYSA-N 270.401 3.953 30 20 CHED N#Cc1ccc2nc(N3CC[C@H](CC4CC4)C3)ccc2c1 555249613 UHFRRDRLOWVFES-OAHLLOKOSA-N 277.371 3.733 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 465243201 XCBDVIBETZDCIO-SNVBAGLBSA-N 286.297 3.878 30 20 CHED Cc1nsc(N2CCC[C@@H](Cc3ccccc3)C2)c1C#N 557585096 XGEIVBRVJYZLCQ-HNNXBMFYSA-N 297.427 3.782 30 20 CHED CC(C)N(C(=O)CCCC#N)c1ccc(Cl)cc1 291287580 IOFYRTOLGQHIDU-UHFFFAOYSA-N 264.756 3.775 30 20 CHED C[C@@H](C#N)OCCN[C@H](c1ccc(F)cc1)C1CCCC1 801937737 VBZJPKACAQTKOB-GUYCJALGSA-N 290.382 3.575 30 20 CHED N#Cc1cccc(C2(NC/C=C/c3ccc(F)cc3)CC2)c1 556408972 LYZIAJCXFPKXPO-DUXPYHPUSA-N 292.357 3.989 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 295504201 DWMXFNVUPGDJRU-HAQNSBGRSA-N 277.795 3.914 30 20 CHED C=C(C)CN(C)C(=O)Cc1ccc(CCCC)cc1 479310501 KEJJDBLXBXBRCW-UHFFFAOYSA-N 259.393 3.606 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@H]1CCS[C@H]1C 646395318 WMVSITOGLNXZKF-JSGCOSHPSA-N 290.432 3.821 30 20 CHED C#CCN(C(=O)N[C@@H](C)c1ccsc1)C1CCCCC1 802389580 OMFONENQTKWEOP-ZDUSSCGKSA-N 290.432 3.787 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H](C)c2ccsc2)cc1 800889747 WNONSFDJKAXZTL-QWHCGFSZSA-N 286.400 3.890 30 20 CHED N#Cc1ccc(C(=O)Oc2cnc3ccc(F)cc3c2)s1 801025427 HLJCTEJSDQDBSV-UHFFFAOYSA-N 298.298 3.526 30 20 CHED CC(C)CCOc1ccc(NC(=O)CCCC#N)cc1 291845276 BXUYMQFZPMUJBV-UHFFFAOYSA-N 274.364 3.744 30 20 CHED C=CC(C)(C)C(=O)N1CCC=C(c2ccccc2)C1 296267853 YMQZCAOWMFYTAE-UHFFFAOYSA-N 255.361 3.515 30 20 CHED COc1ccc(/C=C\C(=O)c2occc2C)c(C)c1OC 806573255 GTOMWTIKLBTSFO-ALCCZGGFSA-N 286.327 3.810 30 20 CHED C#CC(C)(C)N(C)Cc1cc(F)c(C(F)(F)F)cc1F 805753328 NUCQCTFYGPMKFI-UHFFFAOYSA-N 291.263 3.827 30 20 CHED O=C1/C(=C/c2ccccc2)C[C@@H](C(=O)O)c2ccccc21 806560454 MBYUYMOLPJHROE-QSOAKEGCSA-N 278.307 3.525 30 20 CHED C[C@H](C#N)OCCSCc1cc(Cl)ccc1F 802753248 XVRUDEYWIZAPLK-SECBINFHSA-N 273.760 3.641 30 20 CHED CN(Cc1ccc2ccccc2c1)[C@H]1CC[C@@H](C#N)C1 568419694 JTHHPERLVFESHH-KDOFPFPSSA-N 264.372 3.964 30 20 CHED C=CCCCCCN1CCN(C)[C@H](Cc2ccccc2)C1 560170530 NZVVSZBDMROLBA-LJQANCHMSA-N 286.463 3.592 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC1(CC)CCCCC1 474182454 ILMSOJRRZNOJIH-INIZCTEOSA-N 281.440 3.692 30 20 CHED C[C@@H](c1noc(Cc2c(F)cccc2C#N)n1)C(C)(C)C 561898020 GORIXFKWTMAAFQ-JTQLQIEISA-N 287.338 3.821 30 20 CHED C=CC[C@H]1N(C(=O)CSCCC)CCCC1(C)C 470272522 HHIKAKGFNQONLB-CYBMUJFWSA-N 269.454 3.723 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 569454675 CEQQRLJYEZZFNZ-LSDHHAIUSA-N 299.418 3.549 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@H]1CCCC[C@@H]1C 569483678 AWIXIMCKVDGPJE-GXTWGEPZSA-N 285.391 3.755 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 560379103 SZKIVCHXPICHFM-JKSUJKDBSA-N 299.418 3.596 30 20 CHED C[C@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccccc1 814572708 IBEUGVYQIBHOMH-ZDUSSCGKSA-N 294.354 3.542 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(F)cc1SC 646546532 DCZVWIWVNZJWFE-UHFFFAOYSA-N 268.357 3.635 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@@H](SCC)C2)CC1 484252449 HNRFDLKJPQWJRR-LSDHHAIUSA-N 296.480 3.658 30 20 CHED C[C@@H](Cc1ccncc1)Nc1c(Cl)cccc1C#N 487636484 RLENLPZQQIJMHO-NSHDSACASA-N 271.751 3.650 30 20 CHED C#C[C@H](CC)NC(=O)C1(Cc2cccs2)CCCCC1 811452822 AHLVLSQBUBSJEB-CQSZACIVSA-N 289.444 3.769 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(C#N)c(F)c1 812243527 OAAMLVRRAZGSFC-GQCTYLIASA-N 299.276 3.741 30 20 CHED CC(=NNc1ccccc1F)c1cc(C)ccc1O 812459649 DNIMVPFLXFQSTC-UHFFFAOYSA-N 258.296 3.676 30 20 CHED CC(Cc1ccc(F)cc1)=NOCCC(F)(F)F 814908769 AXIIFNMFVWOFJT-UHFFFAOYSA-N 263.234 3.713 30 20 CHED Cc1nc(SCc2ccc(C#N)s2)oc1C 571415713 BFVTYHNTTOCIEJ-UHFFFAOYSA-N 250.348 3.517 30 20 CHED Fc1ccc(C(C[C@H]2CCCO2)=NOC/C=C/Cl)cc1 811669501 PZIHRMUPJIEANN-FBVXHDOWSA-N 297.757 3.868 30 20 CHED CC[C@H]1[C@H](C)CCN1Cc1ccc(Cl)cc1C#N 481377133 WQAFRIYODDMLHR-ABAIWWIYSA-N 262.784 3.832 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1O 811699362 SGYBACGEJSXFQF-UTCJRWHESA-N 290.265 3.575 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNc2ccc(F)cc2)cc1 812377531 KYGNQGWRPUOXND-UHFFFAOYSA-N 294.333 3.970 30 20 CHED C=CCCCCCNc1ccc(Cl)cc1C(N)=O 573710018 VZIHRJXZKRTWLE-UHFFFAOYSA-N 266.772 3.597 30 20 CHED C=CCOc1ccccc1CNC1CCC(OCC)CC1 657879922 NGIDSNNOWCTORN-UHFFFAOYSA-N 289.419 3.689 30 20 CHED CCC[C@@H](OC(=O)c1cccc(C#N)n1)c1ccccc1 810559739 ZYNHMFGBWVKVTD-MRXNPFEDSA-N 280.327 3.651 30 20 CHED C=C(C)CNC(=O)N(CCC)Cc1c(F)cccc1Cl 488575909 MERKOYVPUHPWPG-UHFFFAOYSA-N 298.789 3.977 30 20 CHED CCC(=NNCCCOC)C12CC3CC(CC(C3)C1)C2 811647794 BIZLSMMPVTXEJL-UHFFFAOYSA-N 278.440 3.595 30 20 CHED CCOC(=O)c1ccc(NN=C[C@H]2CC=CCC2)cc1C 812229606 MVEKDQJDEPDZNN-AWEZNQCLSA-N 286.375 3.926 30 20 CHED C=CC[C@@H](CC)NC[C@H](O)c1ccc(Cl)cc1Cl 819283054 GIPLMVMGHNECHO-RISCZKNCSA-N 288.218 3.971 30 20 CHED CCCC(=NNc1ccc(Cl)nc1)c1ccccn1 814858521 AIHVWIUOXFBZNP-UHFFFAOYSA-N 274.755 3.746 30 20 CHED N#CCCOCCN[C@@H](c1ccccc1F)C1CCCC1 815085308 RJJLTNNKJFJTCA-QGZVFWFLSA-N 290.382 3.577 30 20 CHED COCc1c(C(=O)OC2(CC#N)CCC2)oc2ccccc12 810858779 LOWQZZUVCDOJAQ-UHFFFAOYSA-N 299.326 3.572 30 20 CHED Cc1ccn(Cc2ccc(C3CCCC3)cc2)c(=O)c1C#N 570121070 IXPOLHSXQKUIHU-UHFFFAOYSA-N 292.382 3.734 30 20 CHED CCOc1cccc(C=Nc2ccc(F)c(C)c2)c1O 728437311 ABMIFWWAACLWMS-UHFFFAOYSA-N 273.307 3.989 30 20 CHED C=C(C)CCc1noc(-c2sccc2Cl)n1 576431992 YHFNVDHRWFHPRL-UHFFFAOYSA-N 254.742 3.960 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1cc(C#N)c2ccccc2n1 573910279 WHRJASGLQDEJCE-OLZOCXBDSA-N 293.370 3.871 30 20 CHED CC(C)(CNC(=O)Cc1ccc(C#N)cc1)C1CCCCC1 498310730 UUPUXHYNVJYXJI-UHFFFAOYSA-N 298.430 3.823 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCc1ccc(C#N)cc1F 727881602 KKDORNXHMQSXEH-GFCCVEGCSA-N 277.339 3.813 30 20 CHED Clc1ccc(NN=C(Cc2ccccc2)C2CC2)nn1 729140307 AXSQNRDOFDVNGO-UHFFFAOYSA-N 286.766 3.551 30 20 CHED C=C[C@H](C)NC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 660880883 DJEFVFAWYIQASB-VIFPVBQESA-N 299.201 3.636 30 20 CHED CCC(CC)(CC)C(=O)NCC(C)(C)CCC#N 588770892 KDHMJNNPPGEKQQ-UHFFFAOYSA-N 252.402 3.649 30 20 CHED CC(C)c1cnc(N(C)Cc2cccc(C#N)c2)s1 498907258 DFEYPWGNVJLLHV-UHFFFAOYSA-N 271.389 3.775 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(OC)c(NC(N)=O)c1 824302193 QZSCDHOEVOTJPM-GFCCVEGCSA-N 291.395 3.733 30 20 CHED Cn1cc(NCc2ccccc2C#N)c(C2CCCCC2)n1 824521514 LDIPBXURUMSRCJ-UHFFFAOYSA-N 294.402 3.952 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccccc1F)c1ccccc1 498767065 LNMDJFFDQQIIBD-CQSZACIVSA-N 299.345 3.812 30 20 CHED C#Cc1ccc(NCc2noc(C3CCCCC3)n2)cc1 901515950 GROLPOCBSCGDNH-UHFFFAOYSA-N 281.359 3.711 30 20 CHED C=CCN(C(=O)N[C@H](C)Cc1ccc(C)s1)C(C)C 739046865 XPFHIJLUMDKQEB-GFCCVEGCSA-N 280.437 3.594 30 20 CHED C=CC[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccncc1 734458144 VPGSYVBPGRJHKT-SFHVURJKSA-N 292.382 3.618 30 20 CHED C=CCN(Cc1ncc(Cl)n1C)CC1CCCCC1 732667546 PYDWFDOQDRORQY-UHFFFAOYSA-N 281.831 3.642 30 20 CHED C=CCCC[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)O 900067123 DHWJWQNMSSWARB-INIZCTEOSA-N 299.370 3.846 30 20 CHED CCn1cncc1/C=C1/C[C@H](C)c2ccccc2C1=O 901486665 PBFVDUQETNJYAW-VWLVURMCSA-N 266.344 3.677 30 20 CHED C#CCCOc1ccc(CN[C@@H](CC)CCC)cc1 733327884 DZCMVKOESIXCFW-INIZCTEOSA-N 259.393 3.757 30 20 CHED C=CCC1(C(=O)OCc2cc(C)nc(C)n2)CCCCC1 839324744 VQWYYMSHVJGNEA-UHFFFAOYSA-N 288.391 3.663 30 20 CHED COCCCOc1ccc(-c2csc(CC#N)c2)cc1 904809926 KJLFPBHRYHNCSI-UHFFFAOYSA-N 287.384 3.896 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc(C(=O)O)cc2)c1 832935989 VRSGFZXBWHTQFR-CLFYSBASSA-N 284.286 3.728 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1c1cc(C#N)cc(C)n1 588001991 UYEWGCHGHZDMSL-WFASDCNBSA-N 257.381 3.667 30 20 CHED C=CCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730615317 WROCODAHCNAJCY-MNOVXSKESA-N 271.143 3.826 30 20 CHED CC(=NNCCCOc1ccccc1)C1CCCC1 733076345 NJVLNZDLFXXETH-UHFFFAOYSA-N 260.381 3.611 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(O)c(F)c2)c1F 588618944 BJUBBJLVPHZIMX-ALCCZGGFSA-N 290.265 3.575 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2cccc(C(F)F)c2)C1 839058978 NENDBGPZUMZFJJ-OCCSQVGLSA-N 293.313 3.792 30 20 CHED C=CCCCCSCc1cc(=O)n2c(C)csc2n1 583253638 HRHSQCOWNSZIPH-UHFFFAOYSA-N 294.445 3.654 30 20 CHED C[C@H](NC(=O)N1CCC2(CCC2)CC1)c1cccc(C#N)c1 588151051 USLDPUZNULITCG-AWEZNQCLSA-N 297.402 3.595 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 837566029 QWFISIWSYJVICT-SJORKVTESA-N 283.415 3.564 30 20 CHED CC(C)(CCC#N)COC(=O)c1cc2ccncc2s1 835387373 UXDUXTVUZSRAMT-UHFFFAOYSA-N 288.372 3.783 30 20 CHED CC1(C#N)CCN(C(=O)CC(C2CCC2)C2CCC2)CC1 599742240 WTNZCVDQWGORSF-UHFFFAOYSA-N 288.435 3.745 30 20 CHED C[C@H]1CC[C@@H](C)C(=NNc2ccc(C(F)(F)F)nn2)C1 834967121 XVAUPZFLAQEECJ-DTWKUNHWSA-N 286.301 3.719 30 20 CHED N#CC1(CC(=O)N2CC3(CCC3)[C@H]2C2CC2)CCCCC1 597668197 GWODGODNHMBELI-MRXNPFEDSA-N 286.419 3.642 30 20 CHED CC1(C)C[C@@H](Nc2cc(C#N)ccn2)c2cc(F)ccc2O1 593494938 BWYFMRFKJUZJBK-CQSZACIVSA-N 297.333 3.807 30 20 CHED C=C(Cl)COC(=O)c1sc(-c2ccc(C)o2)nc1C 915254197 HNQHBOOKHOJDPP-UHFFFAOYSA-N 297.763 3.929 30 20 CHED CCn1nnc(C)c1/C=C\C(=O)c1ccc(C(C)C)cc1 834409035 RFHFWINOLQLFSY-KHPPLWFESA-N 283.375 3.626 30 20 CHED C=CCCSCCNC(=O)c1ccc(C)nc1C(C)C 597973817 OKTOULAESHLYHQ-UHFFFAOYSA-N 292.448 3.553 30 20 CHED COc1c(C)cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1C 839051301 DHYZXFHAHJMYGN-UKRRQHHQSA-N 287.359 3.551 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 741843711 LDQBQNDSMSVZRG-YQCHFAAASA-N 273.376 3.789 30 20 CHED C[C@@H](OC(=O)c1cc2ccccn2c1)c1ccc(C#N)cc1 748680648 SBHXVIVXRWEBJG-CYBMUJFWSA-N 290.322 3.729 30 20 CHED CC(CCCCC#N)=NNC(=S)Nc1ccccc1F 841602679 HYCCSQDYVPWIRR-UHFFFAOYSA-N 292.383 3.572 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1-c1csc(C)n1 593671926 REMHEUIIADINSX-LLVKDONJSA-N 285.372 3.607 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@H]1c1sccc1C)C(C)C 747857179 NTMNDYRVUXKVBT-STQMWFEESA-N 263.406 3.583 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cc(C)c(C)cc1C 915970640 KIANIPRXSOQLJW-UHFFFAOYSA-N 282.391 3.855 30 20 CHED COc1cc(C=Nn2cnc3ccccc32)ccc1SC 746488399 HTGIQCRJMZMHIV-UHFFFAOYSA-N 297.383 3.649 30 20 CHED CC1(C)CC[C@H]1NCc1ccc(C#N)cc1Br 846960779 QJTNPBZYGUZQEF-CYBMUJFWSA-N 293.208 3.599 30 20 CHED N#CC1(CC(=O)N2CC[C@@H](c3ccccc3)C2)CCCCC1 596996001 RMGAYAJBVHHRCR-QGZVFWFLSA-N 296.414 3.867 30 20 CHED CCc1nnc(S)n1N=C/C=C(\C)CCC=C(C)C 916300983 KKIMQHUANVKJES-XONBKLNWSA-N 278.425 3.656 30 20 CHED CCC(C#N)(CC)c1nc(C2C(C)(C)C2(C)C)no1 599194921 KRZWNZRDJWIWJR-UHFFFAOYSA-N 261.369 3.801 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)cc1 849240590 QFQKLZFCEYDHRS-KTKRTIGZSA-N 266.344 3.502 30 20 CHED Cc1cc(C=NNc2nccc3sccc23)c(C)[nH]1 915980515 YPHALSGTPWEGHZ-UHFFFAOYSA-N 270.361 3.687 30 20 CHED Clc1ccccc1-c1ccc(C=NNc2cnccn2)o1 912961726 MBLKCIYGJIJZTQ-UHFFFAOYSA-N 298.733 3.836 30 20 CHED Cc1cc(C)c(CN2CCC[C@@H](CC#N)C2)cc1C 597175240 XHQKQCIJOLAEKB-INIZCTEOSA-N 256.393 3.738 30 20 CHED CC[C@@H](c1ccncc1)N(C)CCc1ccc(C#N)cc1 595401382 ZYLMIHIJJLPTCG-SFHVURJKSA-N 279.387 3.579 30 20 CHED COc1cc(Cl)c(C)cc1NC(=O)C#Cc1ccccc1 747199319 IEEYSESAICTNCE-UHFFFAOYSA-N 299.757 3.647 30 20 CHED COc1cccc(O)c1/C=N/C[C@H](C)c1cccc(C)c1 741165333 KXRTWCPFEFXRTL-BXUJETTOSA-N 283.371 3.932 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 593616397 ITWBVNWVMBXAOK-LSDHHAIUSA-N 284.403 3.553 30 20 CHED CC#CCCNC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 681538410 QCNXSENZVPWCKN-MRXNPFEDSA-N 298.430 3.973 30 20 CHED C[C@@H](SC[C@H](O)CC#N)c1cccc(C(F)(F)F)c1 594911341 MPLOCGPVOZLJGR-BXKDBHETSA-N 289.322 3.774 30 20 CHED C[C@H]1Cc2ccccc2N1C1CCN([C@H](C)CCC#N)CC1 591017199 VIRYDNXELNQZEG-CVEARBPZSA-N 297.446 3.594 30 20 CHED CC[C@@H](C#N)C(=O)N(CCc1ccccc1)c1ccccc1 593423864 MUSVQAUNJUCUQT-KRWDZBQOSA-N 292.382 3.812 30 20 CHED CC#CCOC(=O)c1cccc(COc2cccc(F)c2)c1 745038484 DYOCVGMVDKXRSG-UHFFFAOYSA-N 298.313 3.585 30 20 CHED Cc1ccc(C=NN[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 920385925 LDWNGPUFMKUWHU-CYBMUJFWSA-N 283.331 3.588 30 20 CHED C#Cc1cccc(NC(=S)N2C[C@H](C)CCC[C@@H]2C)c1 741492550 ANQMATUEQCJSSM-KGLIPLIRSA-N 286.444 3.875 30 20 CHED CC(=NN=C(CC(C)C)c1ccccc1)c1cnccn1 745206520 IIODSVHGDAHNQF-UHFFFAOYSA-N 280.375 3.736 30 20 CHED CCN(CCC/N=C\c1ccccc1O)c1ccccc1 747713386 UQNPJIVCBOWVSY-CYVLTUHYSA-N 282.387 3.728 30 20 CHED CCCC(=NN[C@@H]1CCOC(C)(C)C1)[C@@H]1CC1(C)C 841632833 HFQQEUPEDWMROE-OLZOCXBDSA-N 266.429 3.736 30 20 CHED CCCC[C@H]1CCCC1=NNc1ncccc1[N+](=O)[O-] 759203655 SLBYFELNQQOIAG-NSHDSACASA-N 276.340 3.748 30 20 CHED C#C[C@H](CC)NC(=O)CC1CCC(c2ccccc2)CC1 754357406 LFMGTODRQGHLPK-VMWRSERWSA-N 283.415 3.879 30 20 CHED C=C(Cl)CSCC(=O)Nc1ccc(SC)cc1 853783024 DYVNWJPEYRYKNP-UHFFFAOYSA-N 287.837 3.833 30 20 CHED C=C(C)CNC(=S)N[C@@H](c1ccc(F)c(C)c1)C1CC1 758271085 BJWVPSJRMNANNK-OAHLLOKOSA-N 292.423 3.625 30 20 CHED FC(F)CON=C1CCSc2ccc(Cl)cc21 758903325 DFYPYIDSXKSJDY-UHFFFAOYSA-N 277.723 3.822 30 20 CHED CCC[C@H](C)C(=O)OCc1ccc(C#N)cc1OC(F)F 752539589 CNJJHUIPWPURFZ-JTQLQIEISA-N 297.301 3.639 30 20 CHED N#C[C@H](OC(=O)[C@H]1CCNc2ccccc21)C1CCCCC1 850030615 OZLOPUCQTFAFGS-RDJZCZTQSA-N 298.386 3.601 30 20 CHED C=CCNC(=S)Nc1ccc(-c2nc(C)cs2)cc1 751041578 RVHRAUZWEOYEHT-UHFFFAOYSA-N 289.429 3.591 30 20 CHED C=CCCCOC(=O)c1cncc(-c2ccc(OC)cc2)c1 757903951 YQUZPDRLVBZMOL-UHFFFAOYSA-N 297.354 3.880 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(C)cc2O)cc1 757474671 CWTXBNGTMMUBQY-NTMALXAHSA-N 282.339 3.743 30 20 CHED CCOCSc1ccc(C#N)c(C(F)(F)F)c1 758407146 CZVOPUQCVCDPDW-UHFFFAOYSA-N 261.268 3.663 30 20 CHED C=CCC(=NO[C@@H]1CCCCO1)c1ccc(F)cc1 755817431 KYRICULXEBSXRO-OAHLLOKOSA-N 263.312 3.649 30 20 CHED Cc1ccc(F)cc1NN=Cc1scnc1C1CC1 853393350 CTHGKAIANQIUDP-UHFFFAOYSA-N 275.352 3.914 30 20 CHED C#CC[C@H](CCOC)NCc1cccc(Cl)c1Cl 858331505 DIEANPAVFIJVGH-GFCCVEGCSA-N 286.202 3.511 30 20 CHED C#CCCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 751757550 YVQQVWQMWPUAOT-UHFFFAOYSA-N 299.443 3.895 30 20 CHED O=C(O)c1ccc(C=NNc2cccc(Cl)c2F)cc1 921138023 ZTCKQHHVPHMLDR-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CCN(Cn1ccc(=S)c2ccccc21)[C@@H](C)C#N 853577006 ABPWVHFAVIWMBV-LBPRGKRZSA-N 271.389 3.562 30 20 CHED CCOc1cccc(C=NNc2ccc(OC)cc2)c1 750921154 FTVPOBHQORLJME-UHFFFAOYSA-N 270.332 3.540 30 20 CHED CC[C@@H](c1ccccc1)N(CCO[C@H](C)C#N)C(C)C 852690591 KJTLNNXQQPIOIE-WBVHZDCISA-N 274.408 3.777 30 20 CHED C#C[C@@](C)(CC)NCc1nc2cc(C(F)(F)F)ccc2o1 852102233 XAZQWVFTTKFZFB-AWEZNQCLSA-N 296.292 3.738 30 20 CHED CC(=NNc1ccccc1F)c1cc(F)cc(F)c1 755893667 XVQRDDMCLGDIKV-UHFFFAOYSA-N 264.250 3.940 30 20 CHED Cc1ccccc1SC[C@@H](C)COC(=O)C(C)(C)C#N 859510666 XCGWAEJVSJBSDF-LBPRGKRZSA-N 291.416 3.816 30 20 CHED C=C1CCN(C(=O)Nc2cc(C)c(OC)cc2Cl)CC1 931449395 WDWOUPADNJKUST-UHFFFAOYSA-N 294.782 3.841 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC(C2CCCCC2)CC1 756975646 ZOTYONZWPFJACT-CYBMUJFWSA-N 264.413 3.563 30 20 CHED CN(CCCCC1(C#N)CCC1)[C@H](CO)CC(C)(C)C 930651687 ZIQFBXJDTGVQDD-HNNXBMFYSA-N 280.456 3.579 30 20 CHED C#CCCCSC[C@H](OC)c1ccc(F)cc1 863395930 HPAKZNSYJKDRID-AWEZNQCLSA-N 252.354 3.660 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ncnc2ccsc12 764839955 IDGMCFDTKDXBAQ-UHFFFAOYSA-N 294.383 3.762 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 765318390 IEYSALZLYCJATO-MSOLQXFVSA-N 299.414 3.607 30 20 CHED C=C(C)CCOC(=O)Cc1c(C)oc2ccccc12 767990122 IUPHIIVAXIGXLU-UHFFFAOYSA-N 258.317 3.793 30 20 CHED C#CCCN(CCc1cccc(F)c1)C1CCCC1 760843404 JKDCFYKKQJUHTB-UHFFFAOYSA-N 259.368 3.636 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C(F)=C1CCCC1 763014182 COUJWVFYPRIKTA-UHFFFAOYSA-N 266.360 3.572 30 20 CHED CCCCN(Cc1ccc(N(C)CCC#N)cc1)C1CC1 768290911 KJJKKPQJKAJXQW-UHFFFAOYSA-N 285.435 3.801 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)C[C@@H](C)c1ccco1 860687712 LAYDYTUFBXQPIP-CJNGLKHVSA-N 280.364 3.545 30 20 CHED C[C@@H]1CC/C(=C/C(=O)OCCCCC(C)(C)C#N)C1 768743656 HEYWXJYKUSODEZ-KECPUOCWSA-N 263.381 3.996 30 20 CHED C#CCCc1noc(Cc2coc3c(C)c(C)ccc23)n1 761998450 BBSNXXDDRGQZKX-UHFFFAOYSA-N 280.327 3.589 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1c(F)ccc(F)c1F 768868191 BXGZGPRXGHUONX-UHFFFAOYSA-N 299.292 3.981 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCc1ccc(C#N)s1 1118421596 NNSIUPNOFKIDQO-JKSUJKDBSA-N 297.379 3.775 30 20 CHED Cc1cc(C=NNc2cc(F)cc(F)c2)c(C)o1 767908432 SLXSZNLATXHIHU-UHFFFAOYSA-N 250.248 3.621 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(C)C 766357655 WTDVFIFXCJAVCZ-NWDGAFQWSA-N 297.320 3.630 30 20 CHED CC#CCCCC(=O)O[C@H](CC)c1cccc(OC)c1 767122723 UPPNNHXIUZHVGD-MRXNPFEDSA-N 274.360 3.883 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(O[C@@H](C)CC)cc1 761411940 WQAFZZDDMGWDRQ-ZDUSSCGKSA-N 290.359 3.556 30 20 CHED Cn1nccc1C(=O)/C=C/c1c(Cl)oc2ccccc12 766038998 XKYCBOQBAWCJOD-VOTSOKGWSA-N 286.718 3.716 30 20 CHED Clc1ccc(CNN=C/C=C/c2ccco2)cc1 764716927 BFLFSFCYEBFTSL-XGZNWBDESA-N 260.724 3.722 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)Nc1ccc(C#N)cc1 243783246 QGMPTCVLQNXLGX-UHFFFAOYSA-N 273.380 3.895 30 20 CHED Fc1cc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 774593956 VLDBSQAZMZGTPT-XHVZSJERSA-N 298.308 3.539 30 20 CHED CCC[C@@H](CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 873969213 ZRWWCTZIEJHYSP-GXTWGEPZSA-N 258.365 3.562 30 20 CHED C#CCCCCCC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 779916892 ZSLYOOBFLPBGGZ-SJLPKXTDSA-N 283.415 3.975 30 20 CHED N#CCOc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1 1116495994 NCUZMZURNSLQRF-QGZVFWFLSA-N 282.318 3.827 30 20 CHED CC(=NNc1cc(Cl)ccc1F)[C@H]1C[C@H]2CC[C@H]1O2 872418395 NUUMNOOXRVVJNV-JTNHKYCSSA-N 282.746 3.834 30 20 CHED Cc1ccc(C(C)(C)CNC(=O)c2csc(C#N)c2)cc1 1117791250 SOQIKMDUBWJAAG-UHFFFAOYSA-N 298.411 3.636 30 20 CHED C=C(CC)COC(=O)CCCOc1ccc(C(C)=O)cc1 773426054 YPTLLRZQCFUDKF-UHFFFAOYSA-N 290.359 3.558 30 20 CHED CC(=NNc1nc2ccccc2n1C)C1CCSCC1 777431632 XAQBQERSOLPEQP-UHFFFAOYSA-N 288.420 3.504 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCc3cc(F)ccc32)cc1F 1129571728 DMNNZSVVGIKLTR-HNNXBMFYSA-N 298.292 3.505 30 20 CHED C#CCOc1ccc([C@H](C)Nc2ccc3c(c2)OCO3)cc1 776769429 RTCRCWYOCHCDDY-ZDUSSCGKSA-N 295.338 3.600 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCc2ccc(F)cc21 779906058 UDUWBQCGIHARIL-INIZCTEOSA-N 273.351 3.513 30 20 CHED CCn1cc(C=NOCCC(F)(F)F)c2ccccc21 777460568 QEUYEEMWKWHWGP-UHFFFAOYSA-N 284.281 3.964 30 20 CHED C#CCCCCCC(=O)NCc1ccc(C)cc1OCC 779928334 DSEIEKITEOYZFO-UHFFFAOYSA-N 287.403 3.594 30 20 CHED COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C 785617135 ZRGRFQGVMUAGHL-GOSISDBHSA-N 292.382 3.652 30 20 CHED COc1ccc(NN=C(C)CCc2cccc(F)c2)nc1 780274619 FZWRIVWMVQMAAA-UHFFFAOYSA-N 287.338 3.650 30 20 CHED N#Cc1ccc(C(=O)CSc2ccc(Cl)cn2)cc1 70940160 JVWBWEXACUMVHZ-UHFFFAOYSA-N 288.759 3.582 30 20 CHED C[C@@H](C=NOC[C@@H]1CCOC1)CC1CCCCC1 788034148 OTSDQBZFHXJRMH-UKRRQHHQSA-N 253.386 3.632 30 20 CHED C[C@@H](OC(=O)c1c[nH]c2ccccc12)c1ccc(C#N)cc1 782621725 XNZDPOPWWNIVSK-GFCCVEGCSA-N 290.322 3.958 30 20 CHED CSc1ccc(C(C)=NNc2ncncc2Cl)cc1 780279308 BCKVCDPFTKXFSG-UHFFFAOYSA-N 292.795 3.688 30 20 CHED CC(=NOC[C@@H]1CCOC1)C(C)(C)c1ccc(F)cc1 788031548 WAUKZJQQINEFJO-CYBMUJFWSA-N 279.355 3.532 30 20 CHED C=CCCCCCOC(=O)c1cnn(C(C)(C)C)c1 783075659 PNWASYFMNVQVEJ-UHFFFAOYSA-N 264.369 3.541 30 20 CHED C=C[C@H](C(=O)N[C@@H]1CCC[C@H](SC)C1)c1ccccc1 1123572538 VDXQGENUGIXTBD-PMPSAXMXSA-N 289.444 3.747 30 20 CHED N#Cc1ccc(Oc2c(F)cccc2[N+](=O)[O-])c(F)c1 75914483 ZNVABMMCNIIXJG-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C1CCC(ON=C2CCC3(CCCO3)CC2)CC1 788023759 HXXWAHCEKVSNTM-UHFFFAOYSA-N 251.370 3.815 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccccn1)C(C)(C)C 890125580 YQPRXAQJVBPQQF-UHFFFAOYSA-N 274.408 3.811 30 20 CHED N#CC1(C(=O)OCc2ccc(F)c(Cl)c2)CCCCC1 787669817 CIGCFFFCEFMHSF-UHFFFAOYSA-N 295.741 3.996 30 20 CHED Cc1cc(F)cc(C(=O)N(CCC#N)CC(C)(C)C)c1 80071240 XNPNKVYESVUIMF-UHFFFAOYSA-N 276.355 3.536 30 20 CHED C[C@H](ON=Cc1cccs1)c1noc(-c2ccccc2)n1 787905901 QWXSGARUBZYWPE-NSHDSACASA-N 299.355 3.910 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnn(C(C)(C)C)c1 92261684 ATRSJQPILHSGJJ-UHFFFAOYSA-N 283.419 3.826 30 20 CHED CC[C@H](C)CON=Cc1cc(OC)c(OC)cc1SC 793146716 UZDMVHJQVLZGKP-NSHDSACASA-N 297.420 3.822 30 20 CHED Cc1oc2ccccc2c1C=NNc1cccc(F)n1 795007416 YTNUSYGFIPAOSJ-UHFFFAOYSA-N 269.279 3.721 30 20 CHED CC(C)(C#N)CCCCN1CC[C@H](c2ccccn2)C1 799194580 GYSWQOHBTIGZSY-HNNXBMFYSA-N 271.408 3.591 30 20 CHED CC(C)[C@H](C)N(C(=O)c1ccc(C#N)o1)c1ccccc1 894227050 WTLFMHLBLWOCBK-ZDUSSCGKSA-N 282.343 3.843 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@@H]1C 797405396 UTTCCAJGVFZCIF-VIFPVBQESA-N 266.776 3.841 30 20 CHED N#Cc1ccc(F)c(COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 794734036 WNEGBPCCLNNBAH-FPMFFAJLSA-N 287.334 3.567 30 20 CHED CC[C@@H](C#N)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 593398086 DMDYPJYWHMCXGR-NEPJUHHUSA-N 270.332 3.502 30 20 CHED CC[C@@]1(C)CCCN(C(=O)c2ccc(C)c(C#N)c2)C1 799647938 NSLCDEUXUHUOAH-KRWDZBQOSA-N 270.376 3.519 30 20 CHED COc1cc(C)c(C(C)=NN[C@H](C)C(C)(C)C)cc1OC 793113421 DRTDGBYCZKUQSG-CYBMUJFWSA-N 292.423 3.760 30 20 CHED CC#CCCCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567675 LHGOPTRPQIJELC-GFCCVEGCSA-N 288.416 3.810 30 20 CHED CC(CCc1ccccc1F)=NNCCC(F)(F)F 794546730 BGXKUSSZLOFYOV-UHFFFAOYSA-N 276.277 3.676 30 20 CHED Cc1ccc(-c2nc(C=NNc3cccc(F)n3)co2)cc1 795006998 WNGLPPVHRZXNIB-UHFFFAOYSA-N 296.305 3.630 30 20 CHED N#Cc1ccc(OC(=O)CCSCc2ccccc2)cc1 791442190 DPKXWATVUOMZOJ-UHFFFAOYSA-N 297.379 3.787 30 20 CHED C[C@H](C#N)Oc1ccc(CN(CC2CC2)C2CCC2)cc1 793394162 LCPLIDMRVXNHSS-CQSZACIVSA-N 284.403 3.742 30 20 CHED Fc1cccc(NN=C2CCC[C@@H]2c2ccccc2)n1 795008462 HWOOJLWJHXVEHP-CYBMUJFWSA-N 269.323 3.956 30 20 CHED N#CCOc1cccc(NC2CCC(F)(F)CC2)c1 688344321 PLRINLCLJQKCET-UHFFFAOYSA-N 266.291 3.579 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc3c(c2)OC2(CCCC2)O3)C1 799722400 ODJREOSMZLMXHL-CHWSQXEVSA-N 284.359 3.832 30 20 CHED C=CCNN=Cc1cc(C)n(C2CCCCC2)c1C 794997885 ARINVKFPYVXPOO-UHFFFAOYSA-N 259.397 3.720 30 20 CHED Fc1cccc(NN=CCc2cccc(Cl)c2)n1 795005994 AVHYEFWJUMWYOG-UHFFFAOYSA-N 263.703 3.515 30 20 CHED Cc1cccc(OC(=O)/C=C\c2ccccc2C#N)c1C 799826958 WSAGZFOYYAWSGP-KHPPLWFESA-N 277.323 3.794 30 20 CHED C#CCN(Cc1cccc(C(F)(F)F)c1)C(C)C 746147958 QUZOUUNEBSQJIH-UHFFFAOYSA-N 255.283 3.549 30 20 CHED CCCCCCCCN1CCCN(C(C)C)CC1 740876528 YKLAAEKBAMHVJC-UHFFFAOYSA-N 254.462 3.763 30 20 CHED COc1ccc(C)cc1COC(=O)c1ccc(C)c(C#N)c1 799548519 WYSGRNCJEQAFBA-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccsc1Cl 598833241 DMNZTWBPQHIDCR-UHFFFAOYSA-N 284.812 3.946 30 20 CHED CCCCCCCCN1CCS[C@@H]2COCC[C@H]21 767912080 MKEYBLWGMDPWEF-HUUCEWRRSA-N 271.470 3.553 30 20 CHED Cc1cc(CNc2ccc(F)cc2C#N)ccc1F 97635299 GCZBCXYDJMMKBI-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCC[C@H]1CCCN1c1ncc(Cl)c(C)c1C#N 1307225785 MHTJPIBSEUSDHS-NSHDSACASA-N 263.772 3.684 30 20 CHED C[C@@H](Sc1cccnc1C#N)c1ccc(F)cc1 1166183278 XQLHLQZCBGIAAO-SNVBAGLBSA-N 258.321 3.946 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)[C@@H](C)c2ccccc2)n1 1306986486 PAPJFJHXYULBLK-OLZOCXBDSA-N 280.375 3.515 30 20 CHED N#Cc1nc(N2CC[C@@H]3CCCC[C@@H]3C2)ccc1Cl 1318430835 PTJNFARULRNLJF-NWDGAFQWSA-N 275.783 3.623 30 20 CHED C[C@@H](NC(=O)CC#Cc1ccccc1)c1ccc(F)cc1F 1319315329 HIWQXTPIYOJPMG-CYBMUJFWSA-N 299.320 3.584 30 20 CHED N#Cc1cc(C(=O)OCCC(Cl)(Cl)Cl)cs1 1326757171 XWFKQJXWRLHUIN-UHFFFAOYSA-N 298.578 3.537 30 20 CHED CCC[C@H](C)Cc1nnc(-c2cccc(C#N)c2)o1 1322997756 WSQDSWDMFWQAKS-NSHDSACASA-N 255.321 3.587 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc(F)c(Cl)cc1Cl 1320306108 MHEZBRWQLJTJNE-BDAKNGLRSA-N 292.181 3.984 30 20 CHED CC[C@H]1CCC[C@H](CNCc2cccc(OCC#N)c2)C1 1323785785 NTNHBVYHTSPARX-HOTGVXAUSA-N 286.419 3.895 30 20 CHED COc1cc(C#N)ccc1CN1CC(C)(C)CCC1(C)C 1174726420 WMNPCRNVXMVXGS-UHFFFAOYSA-N 286.419 3.967 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(Cl)c(F)c1 1326750490 QXZCXZWUEZVMMM-SNVBAGLBSA-N 281.758 3.706 30 20 CHED CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nc2ccccc2[nH]1 1321354199 CDKXRJMDICPSRE-ZENOOKHLSA-N 282.391 3.542 30 20 CHED N#CCCCc1nnc(-c2ccc(Cl)cc2Cl)o1 1326971859 DHEMOFVTIISCAM-UHFFFAOYSA-N 282.130 3.890 30 20 CHED CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1nc2ccccc2[nH]1 1321354198 CDKXRJMDICPSRE-XEZPLFJOSA-N 282.391 3.542 30 20 CHED C#CC[C@H](CCOC)NCc1c(Cl)oc2ccccc12 1331793695 FIQVVQUSBYPYDF-GFCCVEGCSA-N 291.778 3.604 30 20 CHED C=CC[C@H](N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)O 1331952318 XXVPVWCOVZVOCA-YTWAJWBKSA-N 299.823 3.512 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)nc1Cl 1338399765 NKFAWRCALRLGFK-CYBMUJFWSA-N 252.745 3.584 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1cccc(F)c1F 1256049023 WTISZKGGITZRGJ-JTQLQIEISA-N 282.359 3.702 30 20 CHED C[C@@H](C#N)N(CCc1ccc(OC(F)(F)F)cc1)C1CC1 1333618652 ZXHUFVRCGYAPHU-NSHDSACASA-N 298.308 3.504 30 20 CHED N#CC1(CCCCN2CCC[C@H]2C2CCOCC2)CCC1 1334658230 BYVXONFKOJPKAF-KRWDZBQOSA-N 290.451 3.742 30 20 CHED C[C@@H]1COc2ccccc2[C@H]1OC(=O)c1ccc(C#N)s1 1342081436 BEIJGVNRUZYYDH-BMIGLBTASA-N 299.351 3.546 30 20 CHED Cc1csc([C@@H](C)NCCCCC2(C#N)CCC2)n1 1262257304 HOAWFEHWEGTWPI-CYBMUJFWSA-N 277.437 3.966 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H](c1ncccn1)C1CCCC1 1347261050 OJRIRVCDUKPXQA-OAHLLOKOSA-N 288.391 3.853 30 20 CHED CC#CCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 1342615978 XTFLRXGJXXIIME-UHFFFAOYSA-N 282.362 3.810 30 20 CHED C[C@H](CC(=O)O[C@@H]1CC[C@@H](C#N)C1)c1c[nH]c2ccccc12 1344034821 JYWGCASQRZVTBJ-MGPQQGTHSA-N 296.370 3.897 30 20 CHED Cn1c(C#N)ccc1C(=O)NC1CCC2(CCCCC2)CC1 1269237427 PBKPNXBYXVRCPS-UHFFFAOYSA-N 299.418 3.520 30 20 CHED CSc1cc(C)c(C(=O)Nc2ccc(F)cc2C#N)o1 1355278538 LKYXLTRJKCIVBJ-UHFFFAOYSA-N 290.319 3.573 30 20 CHED C=C(CC)C(=O)N(C)Cc1c(Cl)cccc1Cl 1350873541 SJBWLNKAJCNNLR-UHFFFAOYSA-N 272.175 3.918 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1351075780 BITZTFLUKYWMHU-MELADBBJSA-N 287.359 3.975 30 20 CHED COc1cc(C)nc(COc2ccc(C#N)c(Cl)c2)c1 220993355 LZOGZFBGJSPJQB-UHFFFAOYSA-N 288.734 3.503 30 20 CHED COc1ccc([C@@H](C)COc2cccc(F)c2C#N)cc1 1458999078 RNEWPSVGVUALNM-LBPRGKRZSA-N 285.318 3.888 30 20 CHED Cc1csc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1Cl 1524734005 NUWSNJQYOLEORH-BDAKNGLRSA-N 269.753 3.559 30 20 CHED Cc1cc(C#N)cc(NC(=O)COc2cc(C)ccc2C)c1 1528377955 DCONNYUVCYESQT-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(C#N)ccc1F 1537237915 SVZXJJUHPHDECX-XJKSGUPXSA-N 288.366 3.786 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCCc1ccccc1Cl 1463057220 MEJGVOPBPVPMJR-AWEZNQCLSA-N 292.810 3.813 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC1CCC(C(C)C)CC1 1533085253 UKXWBHAVXUZAGU-UHFFFAOYSA-N 284.403 3.811 30 20 CHED COc1ccc(NC(=O)[C@@H](C)CCC(C)(C)C)cc1C#N 1536117826 SQOTYBGXNMAVEE-LBPRGKRZSA-N 288.391 3.968 30 20 CHED C[C@@H]1CCCC[C@@H]1Nc1ncc(C#N)cc1Br 1611725243 XESDPWLBIDKMMO-SKDRFNHKSA-N 294.196 3.706 30 20 CHED COc1ccc(CN[C@H](C)[C@@H]2CCCC[C@@H]2C)cc1C#N 1621498551 ZYENWLMOOCPLLP-JJRVBVJISA-N 286.419 3.871 30 20 CHED N#Cc1ccsc1NC(=O)NCc1ccccc1Cl 1626073672 DBDAMDGKJMLDEE-UHFFFAOYSA-N 291.763 3.595 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)Nc1cc(F)cc(C#N)c1 1563172182 YPAXGCYEBDPINF-CQSZACIVSA-N 289.354 3.788 30 20 CHED CCCCCCCC[C@@H](C)C(=O)N1CC[C@](C)(C(=O)O)C1 1573840626 INPMBKHRPZVGLF-PBHICJAKSA-N 297.439 3.696 30 20 CHED CC(C)c1cccc(N(C)Cc2cccc(C#N)n2)c1 1658764433 NKLRKLILRMXTPX-UHFFFAOYSA-N 265.360 3.713 30 20 CHED COc1cccc(CCCN2CCc3ccc(C#N)cc32)c1 1653166365 FKCLXJWFMKENQR-UHFFFAOYSA-N 292.382 3.562 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(F)c(C#N)c1)C[C@@H](C)O2 1652665993 VDIFPZRWUQIHBE-CYBMUJFWSA-N 296.345 3.793 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(-c3ccc(C#N)s3)n2)C1 230997545 DFLXLFBFEVGJAS-NXEZZACHSA-N 273.361 3.963 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CCC[C@@H](C)CCC)C1 1776160699 VLUBVMDVEHDVFO-HOCLYGCPSA-N 267.413 3.556 30 20 CHED CCOc1ccc(C=NNc2ccc(C(=O)O)cc2)c(C)c1 1776012107 CXLPLBKMYAXKKE-UHFFFAOYSA-N 298.342 3.538 30 20 CHED C=CCCC1(C(=O)O)CCN(Cc2ccccc2C)CC1 1776171620 MMPQPYVACWPSMB-UHFFFAOYSA-N 287.403 3.628 30 20 CHED CC(C)CCOc1ccc(C(=O)/C=C\c2cnn(C)c2)cc1 206442211 QMCFKZYAANDSSG-WTKPLQERSA-N 298.386 3.741 30 20 CHED CCCC(CCC)[S@](=O)Cc1ccc(OC)c(C#N)c1 160660828 CIEDGYQMLIIGLN-FQEVSTJZSA-N 293.432 3.784 30 20 CHED C#CCCCCNC(=O)Nc1cccc(N2CCCCC2)c1 152817216 GXZVWKHQJBESNY-UHFFFAOYSA-N 299.418 3.602 30 20 CHED CC[C@H](C)Oc1cc(C)ccc1CNCc1ccc(C#N)o1 153302900 BGLINHJZZATZOZ-AWEZNQCLSA-N 298.386 3.927 30 20 CHED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CC#N)c2)C1 153689636 QRHYZZLQUKNRDK-XJKSGUPXSA-N 286.375 3.634 30 20 CHED Cc1ccc(NC(=O)C(C)(C)C#N)cc1OCCC(C)C 157580553 VDZGWFDVVCAQRD-UHFFFAOYSA-N 288.391 3.908 30 20 CHED CCCCCCCNC1(c2noc(C)n2)CCCC1 157649114 YMVCUFBCGZJCFS-UHFFFAOYSA-N 265.401 3.707 30 20 CHED CCN(C(=O)c1cccc(C)n1)c1ccc(C#N)c(Cl)c1 156549368 JOGBWSWVTHKGDC-UHFFFAOYSA-N 299.761 3.582 30 20 CHED CSCCCCC(=O)N(C)c1cc(Cl)ccc1C#N 156905617 GLAUPCZUXPPGIS-UHFFFAOYSA-N 296.823 3.708 30 20 CHED C=CCC[C@H](NC(=O)NC1CC=CC1)c1ccccc1 159371239 HIFLYLFJTGDXLE-INIZCTEOSA-N 270.376 3.712 30 20 CHED C=CCC[C@H](NCCCc1cnn(C)c1)c1ccccc1 159967893 QLPKCKYNEFEJFE-SFHVURJKSA-N 283.419 3.650 30 20 CHED CCCCCCCCN(C)Cc1noc(C2CC2)n1 839672482 UWQFYBVGMUSBKW-UHFFFAOYSA-N 265.401 3.739 30 20 CHED C#CCC(C)(C)C(=O)NC1CCC(C2CCC2)CC1 856252849 YKNDKDLNQNMFCI-UHFFFAOYSA-N 261.409 3.511 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccc(Cl)cc1 1307862721 WDRZMFCFSBBECB-UHFFFAOYSA-N 268.747 3.774 30 20 CHED N#C[C@H]1CCCN(Cc2cscc2C(F)(F)F)C1 896506696 VMDYBNQHSGDKBW-SECBINFHSA-N 274.311 3.502 30 20 CHED CCN(CCCOc1ccc(C#N)cc1)[C@@H](C)C(C)C 65299244 ZHTFFBICVZHTLB-HNNXBMFYSA-N 274.408 3.694 30 20 CHED CC1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 164373488 MNLBGIHATFJWOS-UHFFFAOYSA-N 268.282 3.813 30 20 CHED CC(C)CN(CCC#N)Cc1cccc2cccnc12 43419679 UAQYOQXXAHVHLA-UHFFFAOYSA-N 267.376 3.606 30 20 CHED CC(C)[C@H]1CN(c2cc(Cl)ccc2C#N)CCS1 301471442 PHMYXDHRIALHQM-CQSZACIVSA-N 280.824 3.789 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CCCCC23CCCC3)n1 308258381 LBHCSAZQAWLRHG-CQSZACIVSA-N 270.380 3.572 30 20 CHED CC1(C)CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 404127004 RGIJKNDCTUAGGK-AWEZNQCLSA-N 260.356 3.756 30 20 CHED Cc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1Br 309719723 VMZCMQJGABXIMU-GHMZBOCLSA-N 279.181 3.862 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(OC(F)F)cc1 313501018 QKGPKOJVPYSQNO-LLVKDONJSA-N 255.308 3.905 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccccc1O 436824336 GPGTUVDUSQNWQP-UHFFFAOYSA-N 281.355 3.611 30 20 CHED N#Cc1ccc(Oc2ncc(C#N)cc2Cl)c(Cl)c1 335106190 HQHBYDJMQINKDL-UHFFFAOYSA-N 290.109 3.924 30 20 CHED C[C@H](CNc1ccc(C#N)cc1F)CC(F)(F)F 396991960 GVWDADDSZNGMEY-QMMMGPOBSA-N 260.234 3.698 30 20 CHED COc1cccc(C=NNc2cccc(Cl)c2)c1O 916269265 BKWYBWKWMGDNEJ-UHFFFAOYSA-N 276.723 3.500 30 20 CHED CC1(C)CCCC[C@@H]1NCc1ccc(CC#N)cc1 398992185 LYYMCPDJKBQHGC-INIZCTEOSA-N 256.393 3.811 30 20 CHED N#CCCC1CCN(Cc2ccccc2Cl)CC1 399343364 WSYMYJJHPZXLKU-UHFFFAOYSA-N 262.784 3.856 30 20 CHED CC[C@H]1C[C@@H](C)CN1c1nc(C)c(C#N)cc1Cl 399561696 LUYRXYQEJGMLMM-SKDRFNHKSA-N 263.772 3.540 30 20 CHED C=C(C)c1csc(CNC(=O)OC(C)(C)C)c1 854190515 ZYICUXBIQCFWMS-UHFFFAOYSA-N 253.367 3.806 30 20 CHED c1ccc(CNN=C2CC[C@@H]2c2ccccc2)cc1 769780622 DEHFHCAAQILIRC-MRXNPFEDSA-N 250.345 3.710 30 20 CHED COc1ccc([C@H](C)/N=C\c2ccccc2O)cc1 103010758 FZPWOAXJSZHEHP-UEMWTREESA-N 255.317 3.581 30 20 CHED CC(C)Oc1cccc(CN(C)Cc2cccc(C#N)c2)c1 51400930 IVTXCJXQDLAEKJ-UHFFFAOYSA-N 294.398 3.977 30 20 CHED C=CCCC(=O)Nc1ccccc1OC[C@@H]1CCCCO1 102240054 COLLPDYEOYRAMX-AWEZNQCLSA-N 289.375 3.539 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@H]2c2ccccc2)nc1 110603791 FCCQRXSHKUFTOG-JKSUJKDBSA-N 263.344 3.701 30 20 CHED N#Cc1cccc(N2CCC[C@H]2c2ccc(Cl)cc2)n1 178322918 NVYVOHCBSPUYBS-HNNXBMFYSA-N 283.762 3.948 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)cc1 176846757 APZGMLKHSBSXLW-IZZDOVSWSA-N 297.402 3.816 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1OCCC 116998071 YDHWKPBQJBNXIG-GFCCVEGCSA-N 262.353 3.562 30 20 CHED N#Cc1c(F)cccc1OC[C@H]1CCCC(F)(F)C1 305983612 LECDXGXTUIGKLV-JTQLQIEISA-N 269.266 3.902 30 20 CHED C#Cc1cccc(NC(=O)NCCc2cc(C)cc(C)c2)c1 303919865 TWPXKVFEBYFTRR-UHFFFAOYSA-N 292.382 3.649 30 20 CHED C[C@@H]1CCc2sc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)cc2C1 1342575300 OAEAZKUUCKGAIM-NQBHXWOUSA-N 289.400 3.722 30 20 CHED N#Cc1ccccc1OCCSCC1CCCC1 62836050 CZDCXNDZTLRRAE-UHFFFAOYSA-N 261.390 3.860 30 20 CHED N#Cc1ccccc1CN1CCC[C@@H]1Cc1ccccc1 25359491 MXALUANWWYWQEN-LJQANCHMSA-N 276.383 3.765 30 20 CHED COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1C 60212571 ZREVCCFZEFKHCW-FNORWQNLSA-N 284.359 3.677 30 20 CHED O=C1/C(=C/c2ccccc2)CCOc2ccc(F)cc21 24978178 UWNTZLNMXMELFW-JLHYYAGUSA-N 268.287 3.875 30 20 CHED Cc1cc(C)c(C(=O)N[C@H](C#N)c2ccccc2Cl)o1 176680409 YBLZMFPRONNCKU-CYBMUJFWSA-N 288.734 3.545 30 20 CHED Cc1cccc2ncnc(Oc3ccc(C#N)cc3F)c12 301716098 XHGPPUUVEIAYQT-UHFFFAOYSA-N 279.274 3.741 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@H]1CC=CCC1 69240303 OGHGKNCASVSYCR-AWEZNQCLSA-N 290.432 3.802 30 20 CHED C[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc(C#N)cc1 175800312 VHWZSGNGBSBSKI-CYBMUJFWSA-N 290.322 3.542 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1 175870162 HOXPSTCPOLOUFO-CVEARBPZSA-N 274.433 3.712 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 128198960 IOYOFWBSNPPTOS-CXAGYDPISA-N 298.361 3.789 30 20 CHED CCCC1(CNc2cc(C(C)=O)ccc2C#N)CC1 302097524 JSDMEBMUTJNQNG-UHFFFAOYSA-N 256.349 3.753 30 20 CHED CC[C@H](C#N)Sc1ncnc2sc(C)c(C)c12 127102013 JJFMRVDGTHXWOY-SECBINFHSA-N 263.391 3.702 30 20 CHED Cc1ccc(N/C(N)=N/Cc2cc3ccccc3o2)cc1 303882370 LJUYLTSQDOXMJN-UHFFFAOYSA-N 279.343 3.668 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCC[C@@H]1CCC 1340531521 QJZWEGCZRYIJTM-STQMWFEESA-N 294.468 3.657 30 20 CHED CN(Cc1ccc(C#N)cc1)[C@H]1CCc2ccc(F)cc21 177683945 KMQPWVJMNCFCAH-SFHVURJKSA-N 280.346 3.817 30 20 CHED N#Cc1cc(Sc2cccc(Br)c2)ccn1 61815557 CPEDIQQJIUERSD-UHFFFAOYSA-N 291.173 3.867 30 20 CHED N#Cc1cnc2ccccc2c1NC1Cc2ccccc2C1 302152673 MGSLSQKAEOSUIX-UHFFFAOYSA-N 285.350 3.686 30 20 CHED C[C@H](C#N)Oc1ccc(CNCC2(C)CCCC2)cc1 66594326 BGRBFUZPPDIHND-CQSZACIVSA-N 272.392 3.647 30 20 CHED C#CCC(C)(C)C(=O)N(CC=C)CC1CCCCC1 185772427 XQKIBDAXZDSSOP-UHFFFAOYSA-N 261.409 3.631 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1cc(F)ccc1F 188540408 PQLTVZPDARLJHX-BDJLRTHQSA-N 298.329 3.798 30 20 CHED CC(C)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)s1 184550995 KHIAULFBQIZICM-NSHDSACASA-N 270.357 3.757 30 20 CHED CC#CCCCC(=O)Nc1ccccc1NCC(F)(F)F 185780308 YFYHLUUEBGXIDN-UHFFFAOYSA-N 298.308 3.793 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC(C1CC1)C1CC1 79088760 KAUCPBCYMYFIQB-UHFFFAOYSA-N 290.432 3.634 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 78641905 NRPCNNFLXXEEIE-KRWDZBQOSA-N 296.370 3.557 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(F)c(Br)c1 122329360 NVLAYELCPRWVGF-VIFPVBQESA-N 299.187 3.789 30 20 CHED CO[C@@H](C)COc1ccc(-c2ccc(C#N)cc2)cc1 180898493 DAFHKWPKELXVBR-ZDUSSCGKSA-N 267.328 3.639 30 20 CHED C[C@H](NCCCC(C)(C)C#N)[C@H]1CCCN(C2CCC2)C1 185668387 NNQWAWRJRPOFMH-HOTGVXAUSA-N 291.483 3.559 30 20 CHED CSCCCCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 121596902 DKEMTVSBNORKKV-ZDUSSCGKSA-N 296.823 3.554 30 20 CHED CCCC[C@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl 410011426 MYZWNCXGDLBFRL-FZMZJTMJSA-N 278.783 3.847 30 20 CHED Cc1cc(CN[C@@H](C)c2cccs2)ccc1C#N 488003326 RLXQHQFUJSLWQR-LBPRGKRZSA-N 256.374 3.779 30 20 CHED C[C@H](NC(=O)C1=CCCCCC1)c1ccc(C#N)cc1 128497055 WLRVXGRFVHTPPL-ZDUSSCGKSA-N 268.360 3.626 30 20 CHED C#CCCCCN[C@@H](C)c1cc2c(cc1O)CCCC2 186104092 OUEMKDQOWIXUQC-AWEZNQCLSA-N 271.404 3.725 30 20 CHED N#CC1(CN[C@@H](c2ccccc2)C2(CO)CCCCC2)CC1 412011987 WJIBHIUTWNVMIP-KRWDZBQOSA-N 298.430 3.564 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)c1ccccc1 79434548 BTMHMMNPOWIFKW-UHFFFAOYSA-N 274.408 3.572 30 20 CHED CCCC[C@H](C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416091845 AVNMJSAVJSLZIV-GUYCJALGSA-N 284.403 3.878 30 20 CHED CC[C@H](C)CCC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416092444 BSBWFRRWYVHCMH-GUYCJALGSA-N 284.403 3.878 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ccc(C)nc1 414528899 BNFOVOCJDOUCAC-GOSISDBHSA-N 266.388 3.667 30 20 CHED Cc1cc([C@H](C)Nc2c(C#N)nnc3ccccc23)c(C)o1 76324399 JLYORSQHFWKELH-NSHDSACASA-N 292.342 3.884 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416288788 HRZQAFRLIOFABL-NSHDSACASA-N 293.370 3.563 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc(Cl)ccc1F 187975168 LXALBYWDFAEEIK-AWEZNQCLSA-N 285.746 3.646 30 20 CHED C=CCC[C@H](C(=O)Nc1cnn(CC)c1)c1ccccc1 186912557 FYYJOVQXVFJPIR-INIZCTEOSA-N 283.375 3.592 30 20 CHED COc1cc(N[C@H]2CCC[C@@H](C#N)C2)c(OC)cc1Cl 185751230 GDNVWLFBSHUOBK-MNOVXSKESA-N 294.782 3.851 30 20 CHED CCCn1c(C)nnc1S[C@H](C)c1cccc(C#N)c1 189874688 AKJFDENUGANECA-LLVKDONJSA-N 286.404 3.722 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N[C@@H](C#N)C2CCCCC2)C1 506529279 ZZCLTDMBGMKZRB-FMKPAKJESA-N 276.424 3.791 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(CN(CC)CC)c1 185086135 DCVMJFYREBLZGG-UHFFFAOYSA-N 286.419 3.516 30 20 CHED C[C@H](Cc1cccc(C(F)(F)F)c1)NCC1(C#N)CCC1 418143526 PZVGSJFVQSOSKZ-GFCCVEGCSA-N 296.336 3.920 30 20 CHED C[C@@H](Cc1ccsc1)Nc1c(C#N)nnc2ccccc12 76324303 VYAVADWRTBAPPM-NSHDSACASA-N 294.383 3.606 30 20 CHED CC#CCCCC(=O)N(CC1CC1)c1ccccc1 185807084 KBDQERFSINKXJK-UHFFFAOYSA-N 255.361 3.623 30 20 CHED C=C(C)CCc1noc(-c2cc(C)c(F)cc2F)n1 508681558 TVVDCSUDNSUVPU-UHFFFAOYSA-N 264.275 3.832 30 20 CHED N#CCCCCN1CCO[C@@H](c2ccc(F)cc2Cl)C1 187853618 YOASGWHLNNQSSD-OAHLLOKOSA-N 296.773 3.546 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)cc1Cl 187793251 JITRDJPZOONCES-AWEZNQCLSA-N 285.746 3.646 30 20 CHED C=CCCN(C)Cc1ccc(OC(F)F)c(OCC)c1 132516153 IPNBQKTVUGEJBP-UHFFFAOYSA-N 285.334 3.695 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(C2CC2)CCC1 506088665 DSPBSDVJAMJLCJ-UHFFFAOYSA-N 278.440 3.955 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)c2ccc(C)s2)c1 48955173 WVSMPLFZODERKI-LBPRGKRZSA-N 284.384 3.921 30 20 CHED COc1ccc(O)c(/C=N/Cc2nc3ccccc3s2)c1 72658448 SWTQYTHMWPILPA-RQZCQDPDSA-N 298.367 3.630 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@@H](C)Cc1cccc(F)c1 411111004 ITGIVMKQQRTEHN-ZDUSSCGKSA-N 277.383 3.817 30 20 CHED CCc1cc(C2CC2)nc(N=C(O)[C@H]2CC[C@H](C)C2)n1 329677163 WMPVKWHMEKVDGM-JQWIXIFHSA-N 273.380 3.941 30 20 CHED CC1(C)CCCC[C@@H]1CC(O)=Nc1nncn1C1CC1 329129362 VXJPBZYBHMXTFD-LLVKDONJSA-N 276.384 3.808 30 20 CHED Cc1cn2cc(N=C(O)N[C@@H]3CC34CCCCC4)ccc2n1 329125192 SVJFXPKPSNHPBT-CQSZACIVSA-N 298.390 3.501 30 20 CHED Cc1cccc(S[C@@H](C)C(=O)Nc2ccccc2C#N)c1 40696079 RPEFRSIBBBPVBT-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED C=CCSCCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 508561453 RABSZSNOTSQEAE-RRFJBIMHSA-N 281.465 3.628 30 20 CHED CC(C)CC1(C(O)=Nc2nc3cccnc3n2C)CCC1 329938499 FDEQGSSTBCPPMZ-UHFFFAOYSA-N 286.379 3.773 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)Cc1cccc(Cl)c1Cl 193836689 LBAMULXXYBVQDU-JTQLQIEISA-N 299.201 3.544 30 20 CHED C=CCC1(C(=O)N[C@H]2CCCc3c(O)cccc32)CCC1 190217423 PEEMZBXDVCZAOY-HNNXBMFYSA-N 285.387 3.632 30 20 CHED C[C@H](/N=C(/O)C[C@H]1CCCC(O)=N1)C1CCCCC1 329649501 KGOQMCCUSHZFIX-WCQYABFASA-N 266.385 3.811 30 20 CHED Cc1cc(C)c2oc(NC(=O)C3(C#N)CCCCC3)nc2c1 85765998 JUAAGMYTESAEPP-UHFFFAOYSA-N 297.358 3.857 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1CC1(C#N)CC1 421028216 WHZGPEAVZCIACC-HNNXBMFYSA-N 254.377 3.558 30 20 CHED C[C@@H]1C[C@H]1[C@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 420606165 WWVUVBCPCZMZIS-QSGSBWRWSA-N 298.777 3.811 30 20 CHED COc1cccc(/C=C2\Cc3ccc(F)cc3C2=O)c1F 195503004 ZRFOKMUWIVPCNO-XYOKQWHBSA-N 286.277 3.796 30 20 CHED CC(C)COc1ccccc1N=C(O)[C@H]1CCCC(O)=N1 328823831 RXAGLYSVUVUPBC-CYBMUJFWSA-N 290.363 3.818 30 20 CHED O/C(=N/[C@H]1CC12CCCCC2)c1conc1C1CC1 329566169 KTRHOTDEDVRKHJ-LBPRGKRZSA-N 260.337 3.579 30 20 CHED Cc1ccc(N(C(=O)Cc2ccc(C#N)cc2)C(C)C)cc1 195348856 OHUZFNGOWPFJKQ-UHFFFAOYSA-N 292.382 3.851 30 20 CHED C[C@@H](C#N)CN(C)C(=O)[C@H](C)c1ccc2ccccc2c1 84585282 QIBJZRHURPHTBY-UONOGXRCSA-N 280.371 3.561 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(C#N)cc1Cl 227260191 RFDQGEYTTBNCDD-UHFFFAOYSA-N 297.745 3.704 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(N3CCCC3)ccn2)n1 514681764 BLBVYERHLADZQM-UHFFFAOYSA-N 298.390 3.586 30 20 CHED CCOc1ccc(N=C(O)N2CCC[C@@H]2CC)cc1OC 330532652 TYLCVBPHDLFCPK-ZDUSSCGKSA-N 292.379 3.514 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1c(F)cccc1Cl 81511483 MIJFVFHHNYHEKL-UWVGGRQHSA-N 284.762 3.804 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@@H]1C#N 331481264 FDBDOACKNDHJNJ-OIISXLGYSA-N 297.402 3.534 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1Cl)C(C)(C)C 513620877 USAHZFXMGLTUPF-LLVKDONJSA-N 251.761 3.843 30 20 CHED C=C1CCN(C(=O)c2ncccc2Oc2ccccc2)CC1 336287909 IUAQHHUIPBQOME-UHFFFAOYSA-N 294.354 3.666 30 20 CHED CCCC[C@H](C)C(=O)Nc1ccc(C#N)c(C#N)c1C 421555657 IFBAWPHARYKHFP-NSHDSACASA-N 269.348 3.503 30 20 CHED C[C@H](C#N)CNC(=O)CCCc1ccc(Cl)c(Cl)c1 518357092 KWGYQYLRWMQLBT-SNVBAGLBSA-N 299.201 3.592 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 510584130 ZIWKDKJIKFXCAK-GJZGRUSLSA-N 266.429 3.809 30 20 CHED C=CCC[C@H](NC(=O)NC1(C(F)F)CC1)c1ccccc1 337770230 FGKAFBQPKNXZLK-ZDUSSCGKSA-N 294.345 3.791 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1c1ccsc1 337981850 YVHOEGCLVSJHSS-MRXNPFEDSA-N 296.395 3.906 30 20 CHED C[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 429549180 POJKDEUFTUVLEJ-MFKMUULPSA-N 291.782 3.864 30 20 CHED C[C@@H]1C[C@@H](C)N(Cc2ccc(Br)cc2C#N)C1 383384057 HDLSAUGYJXXGSE-GHMZBOCLSA-N 293.208 3.551 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(c3ccccc3F)CC2)C1 518571969 RIQWLDACCJCCHT-UKRRQHHQSA-N 272.367 3.697 30 20 CHED COc1cc(C)nc(CSc2ccc(C#N)cc2)c1 339743821 WCYYYQWWCHVTTP-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1 96792365 VOFODISALASXES-WDZFZDKYSA-N 268.312 3.687 30 20 CHED Cc1cc(C#N)ccc1COc1cccc2ncccc12 230224679 IIMFHHGAYKIDEA-UHFFFAOYSA-N 274.323 3.994 30 20 CHED COc1ccc(C#N)cc1CN1C[C@H](C)[C@H]1c1ccccc1 437573909 COCVRWWLLJNAJX-LIRRHRJNSA-N 292.382 3.760 30 20 CHED C=CCC[C@H](NC[C@@H](C)N1CCCC[C@@H]1C)C1CC1 439091909 XJSMQNMLKSJNAB-UXLLHSPISA-N 264.457 3.584 30 20 CHED C=CCn1c(SC(C)C)nnc1-c1cccc(C)c1 97528670 FFYXONFDWYDBOM-UHFFFAOYSA-N 273.405 3.940 30 20 CHED CCN(Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccoc1 92935841 PPUSHUSXJHVXNY-AWEZNQCLSA-N 284.359 3.593 30 20 CHED C=CCCN1CCC(c2c(F)cccc2F)CC1 338571483 KURCDQZDYOFJCL-UHFFFAOYSA-N 251.320 3.720 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1 524518387 ZFBJEDPSWUTGMK-HOCLYGCPSA-N 270.376 3.647 30 20 CHED Cc1cc(NCC2(c3cccc(F)c3)CC2)cc(C#N)n1 342387668 WOWZDIMJDOWRTJ-UHFFFAOYSA-N 281.334 3.545 30 20 CHED C=CCC(F)(F)c1nc(N(CC)c2ccccc2)no1 528224899 ZUCOKSZFEQDJCB-UHFFFAOYSA-N 279.290 3.896 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 528525798 WRTXIIBRMQCHGZ-QOKNQOGYSA-N 299.414 3.694 30 20 CHED CC(C)c1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1 432481529 BXHCMGSWBRTFPM-UHFFFAOYSA-N 273.380 3.823 30 20 CHED C=CCCCSc1n[nH]c(-c2cc(F)cc(F)c2)n1 607761335 JQROTIZZIJRWSO-UHFFFAOYSA-N 281.331 3.808 30 20 CHED CCC(C#N)(CC)C(=O)NC1CC(C)(c2ccccc2)C1 528446945 FBFMRLHMIGTAFJ-UHFFFAOYSA-N 284.403 3.553 30 20 CHED C=C(C)CN(C)Cc1csc(-c2cccs2)n1 181325291 SAPCMZIWSOXXSD-UHFFFAOYSA-N 264.419 3.880 30 20 CHED C=C(C)[C@@H](NC(=O)c1[nH]ccc1C)c1ccc(F)c(F)c1 436104317 LMHYBWOXJIXNET-CQSZACIVSA-N 290.313 3.649 30 20 CHED C=CC[C@@H](CC)NCc1cnc(C2CCC2)s1 341543802 YOLYYDHDKKACLQ-GFCCVEGCSA-N 250.411 3.855 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\CC1CCOCC1 255202476 NGNPRMOXGQXFRD-PXNMLYILSA-N 288.174 3.545 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCc2cc(OC)c(OC)cc21 343502090 JTTVYKGWRRWTIJ-HIFRSBDPSA-N 275.392 3.635 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)cn1 255273891 RTAHGESLCFSBID-FPLPWBNLSA-N 278.311 3.576 30 20 CHED COc1ccc(CN2Cc3ccccc3C[C@H]2C)cc1C#N 340201870 ZUMWNAPCXKOIQS-CQSZACIVSA-N 292.382 3.514 30 20 CHED N#CCCCOc1cccc(CNCC(C2CC2)C2CC2)c1 525182033 STXQGIYIVUQEHS-UHFFFAOYSA-N 298.430 3.895 30 20 CHED C=C(CC)CN[C@@H](CC(=O)OC(C)C)c1ccccc1 340850597 OKUIXHLBRCDOER-INIZCTEOSA-N 275.392 3.625 30 20 CHED Cc1cnc(CON=Cc2ccccc2OC(F)F)s1 255672996 NWPOBLSMIXYERJ-UHFFFAOYSA-N 298.314 3.604 30 20 CHED Cc1nc(NC(=O)C(C)(C)C#N)sc1Cc1ccccc1 603965375 YSXSLBSCBRFAER-UHFFFAOYSA-N 299.399 3.531 30 20 CHED C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CC12CC2 527865826 GXQWVQQIRLHUTN-IUODEOHRSA-N 293.332 3.835 30 20 CHED CCN(CC)Cc1cccc(NC[C@@H](C)CCC#N)c1 602486056 XLYZRVIULZHWIA-HNNXBMFYSA-N 273.424 3.880 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1 345378634 JOIPFCPOBHNRNI-NVXWUHKLSA-N 289.419 3.871 30 20 CHED COc1cccc(C=Nc2cc(C)ccc2C)c1O 254678260 QKRYJUSDORXLKY-UHFFFAOYSA-N 255.317 3.768 30 20 CHED COc1cc(CN2CC[C@@H](C)C3(CCC3)C2)ccc1C#N 442853160 UKJOPJDFQZTJSQ-CQSZACIVSA-N 284.403 3.579 30 20 CHED N#CCc1ccc(NC(=O)/C=C\Sc2ccccc2)cc1 255127654 RWHYKUXFKBSUMR-QBFSEMIESA-N 294.379 3.997 30 20 CHED N#CCc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 600891404 RHXNFQUCJLARQD-GOSISDBHSA-N 290.366 3.560 30 20 CHED CC(C)(CCC#N)CNC(=O)C(C)(C)c1ccc(F)cc1 359764920 LPDUJDBXNFQVHN-UHFFFAOYSA-N 290.382 3.549 30 20 CHED CCc1cc(OC)ccc1CNc1cccc(CC#N)c1 449702576 SMHGSFBKLBACFQ-UHFFFAOYSA-N 280.371 3.936 30 20 CHED N#Cc1cc(F)cc(NCc2ccc(Cl)cc2C#N)c1 600857205 XAXLWZPXHCPIQL-UHFFFAOYSA-N 285.709 3.835 30 20 CHED C[C@H](SCC(=O)NCC(C)(C)C)c1ccc(C#N)cc1 600620251 FUDUAUWTCHFJDG-LBPRGKRZSA-N 290.432 3.515 30 20 CHED C[C@H](CCC#N)CN1CC[C@H](Oc2ccccc2Cl)C1 602484535 OACKBHSUKFHTAM-KGLIPLIRSA-N 292.810 3.733 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@@H]2CCCC[C@H]2C1 250394490 GGFPBTPCBCIUGH-HOTGVXAUSA-N 284.403 3.579 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCCc2ccc(C)cc21 358947529 HVMKPXJCFUGWIX-MRXNPFEDSA-N 272.392 3.590 30 20 CHED N#Cc1cccnc1N[C@H]1CC[C@H](c2ccc(F)cc2)C1 359907389 WFCRMHVBWBVCMR-BBRMVZONSA-N 281.334 3.841 30 20 CHED CC(C)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603622225 OQRQOTGRZAROEF-UHFFFAOYSA-N 295.342 3.730 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(SC)c(OC)c1 358321889 SIGMCTBFOKRLHB-GHMZBOCLSA-N 251.395 3.642 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@H](CC#N)c1ccccc1 356693134 IJMZVWVFKYZEAZ-HYVNUMGLSA-N 284.403 3.863 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(C(C)C)cn1 355674788 OZJHRGSTXFQFJH-UHFFFAOYSA-N 298.386 3.669 30 20 CHED C=CCOc1ccc(CC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 449951879 IRFQMLCDORKIIJ-SJLPKXTDSA-N 299.414 3.585 30 20 CHED N#C[C@H]1CC[C@@H](NCCSc2ccc(Cl)cc2)C1 442634712 HOCPVCARAYIZTR-WCQYABFASA-N 280.824 3.714 30 20 CHED C=CCCC1(C(=O)Nc2cccc(F)c2F)CC1 355273043 HUMLEXRVADFUPT-UHFFFAOYSA-N 251.276 3.650 30 20 CHED C=C(CC)CN(Cc1nc(O)c2ccccc2n1)[C@@H](C)CC 539119342 IVVGMLGOOJHFEM-AWEZNQCLSA-N 299.418 3.902 30 20 CHED CCCCOc1cc(CNCCCCC#N)ccc1OC 264027693 CBBYHRNXJADFTG-UHFFFAOYSA-N 290.407 3.658 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1F 616762494 YOUXMFMUVJXXKE-SFHVURJKSA-N 296.345 3.740 30 20 CHED CN(CCC1CCCCC1)C(=O)c1cccc(C#N)c1 263678591 GOJGHRWENPQNTF-UHFFFAOYSA-N 270.376 3.601 30 20 CHED CC#CCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 534262462 FCSAVUHXGIZEQY-UHFFFAOYSA-N 298.773 3.519 30 20 CHED CC(C)[C@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 355105381 OTSGLBQLINQSIY-IAGOWNOFSA-N 284.403 3.721 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 268745986 AQDRWGHONMHDTC-BBRMVZONSA-N 286.419 3.967 30 20 CHED C=CCN(C(=O)[C@H](C)CCCc1ccccc1)C1CC1 538316482 XSAKWVFOZFGTAB-OAHLLOKOSA-N 271.404 3.822 30 20 CHED C=CCCC1(C(=O)Nc2cccc(COCC)c2)CC1 355550932 HFSLYWWWMCRAEK-UHFFFAOYSA-N 273.376 3.908 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(c2ccccc2OC)CC1 539438051 WDTYAVUMNAAZKD-CQSZACIVSA-N 287.403 3.588 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)c1ccc(Cl)cc1 448958669 ZQAOGVDASJJKMZ-CABCVRRESA-N 293.794 3.674 30 20 CHED N#Cc1cccc(CSCc2nc3ccccc3[nH]2)c1 357349575 HLOVTRFVUQHOQB-UHFFFAOYSA-N 279.368 3.868 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc(N(C)C)c1 610392375 MASXUBUWOFZSMG-UHFFFAOYSA-N 273.424 3.514 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(-c2ncco2)c1 455025556 WPYPLSYMRAFZKC-UHFFFAOYSA-N 285.347 3.675 30 20 CHED Cc1cc(NC(=O)NCCCCC#N)cc(C(F)(F)F)c1 617033477 ROYVBRPIDWHZMY-UHFFFAOYSA-N 299.296 3.829 30 20 CHED C=CCCc1noc([C@H]2CCCN2c2ccccc2)n1 453241173 VQHVHCWGCLBJSP-CQSZACIVSA-N 269.348 3.530 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCCC#N)CCC2 360391898 HLZGZWPWZKRGOY-KRWDZBQOSA-N 284.403 3.997 30 20 CHED C=CC[C@H]1N(C(=O)Cc2cnccc2C)CCCC1(C)C 614055916 QHBASXGCAMTGMN-MRXNPFEDSA-N 286.419 3.526 30 20 CHED CC(C)c1ccc(C(C)(C)NC(=O)c2cc(C#N)c[nH]2)cc1 610497823 PZHZRAODKIIERM-UHFFFAOYSA-N 295.386 3.675 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C1=CC[C@@H](C)CC1 454898994 ABBCOGZHWFTFBK-OAHLLOKOSA-N 299.414 3.956 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCc1ccc(F)cc1C#N 360329160 KGVBIOAILMMLSV-BFQNTYOBSA-N 260.356 3.612 30 20 CHED C[C@H](Nc1ncc(Cl)s1)c1cccc(C#N)c1 613181639 ONXBJJJNBZBTAR-QMMMGPOBSA-N 263.753 3.841 30 20 CHED Cc1nc(C)c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 618803287 HWDXARNZOQLEND-BZNIZROVSA-N 297.427 3.970 30 20 CHED C=CC(C)(C)CNC(=O)N(CC)C1CCCCC1 458984482 GMLPVNPSTVYPST-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1N[C@H]1CCc2cc(C#N)ccc21 618803887 JBDPKBMPWXOBOC-QISBLDNZSA-N 268.404 3.960 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)C12CC3CC(CC(C3)C1)C2 615092151 CEVCTLSKJYILLR-SALMBKGGSA-N 295.430 3.648 30 20 CHED COCCOc1ccc(C#N)cc1NC1CCCCCC1 544346047 IVOFZYPTLFKLKI-UHFFFAOYSA-N 288.391 3.718 30 20 CHED CC(C)(C#N)c1nc(CSc2ccc(Cl)cc2)no1 273711049 LBRTVYGZHBKHAM-UHFFFAOYSA-N 293.779 3.816 30 20 CHED Cc1cccc([C@H]2CCN(c3ccc(Cl)c(C#N)n3)C2)c1 542269218 GUXZJHSUNPWAKD-AWEZNQCLSA-N 297.789 3.909 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cncc(F)c2)CCCCC1 450440244 NQEDBBBKLKJSMF-CYBMUJFWSA-N 290.382 3.925 30 20 CHED C=C[C@@H](C)NC(=O)c1oc2ccccc2c1COC(C)C 362601227 PIPYMEFCQWRZNC-GFCCVEGCSA-N 287.359 3.662 30 20 CHED C=C(CC)CNC(=O)Nc1cc(Cl)ccc1F 454279411 YGKYHINHMAOXSP-UHFFFAOYSA-N 256.708 3.567 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1OCCF 455725772 RKWBBZCZQDOEKD-UHFFFAOYSA-N 280.343 3.513 30 20 CHED CC(C)(C#N)CC(=O)N1CCCC[C@H]1c1ccccc1 278899283 YFVLCWSNLLDNBT-HNNXBMFYSA-N 270.376 3.680 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc2ccoc2c1 455220208 CIMZSVMIQTWPMV-UHFFFAOYSA-N 258.321 3.767 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1cccc(F)c1)C(C)(C)C 622943558 HMOIUVUTJUZQTK-CYBMUJFWSA-N 277.383 3.817 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](COC)c1ccc(F)cc1 540188961 NNVWRHUXIZYMDO-HEHGZKQESA-N 265.372 3.704 30 20 CHED CC(C)(C#N)CCNC1(c2cccc(Cl)c2)CC1 272073736 ZRCUYAWPFDZHKV-UHFFFAOYSA-N 262.784 3.859 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccnn1C(C)C 279983607 FXFKHJKCQXYGDM-SNAWJCMRSA-N 260.362 3.730 30 20 CHED C=CCC(CC=C)C(=O)N1CCOc2ccccc2[C@H]1C 621144763 QFGQOZLXRACMQW-CQSZACIVSA-N 285.387 3.737 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc(Cl)cc2)no1 275741664 VNTZFFOIPVKFFR-OAHLLOKOSA-N 292.766 3.870 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl 468038223 PHNHTZGOKOFLAN-WDEREUQCSA-N 282.771 3.939 30 20 CHED N#CC1(CCCn2ccc(-c3ccccc3)n2)CCOCC1 281237413 FVYSVTHYBDXXLZ-UHFFFAOYSA-N 295.386 3.651 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C 465136859 RBAMQPHLUVROML-JSGCOSHPSA-N 260.381 3.648 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCc1ccc(F)cc1 280788578 JEWHDJLVUTTZRF-HFTRVMKXSA-N 291.410 3.718 30 20 CHED C=C[C@H](C)NC(=O)c1cc(Cl)ccc1SCC 465117831 ZVLVZPWOIUUSEA-VIFPVBQESA-N 269.797 3.756 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 469034912 PQBVMIANXMGBQU-NSHDSACASA-N 292.345 3.715 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2ccccc2n1 467850488 KLZMSYZIZIAOSQ-INIZCTEOSA-N 254.333 3.776 30 20 CHED C=CCNC(=O)C1(Cc2cccs2)CCCCC1 289394262 RJRRQZANHPRWGY-UHFFFAOYSA-N 263.406 3.543 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C(F)(F)F)cs1 280780287 PHPKVDPRQRDHSZ-PSASIEDQSA-N 292.326 3.555 30 20 CHED CC#CCCCC(=O)Nc1nc2c(C)c(F)ccc2s1 466871790 UWSMNDOAYDVNNI-UHFFFAOYSA-N 290.363 3.876 30 20 CHED Cc1ccnc2ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc12 289351310 XZGXKQGWEAZZBL-SFHVURJKSA-N 295.386 3.601 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2ccccc2s1 467869614 XVGUBVMQNOZZNJ-CQSZACIVSA-N 260.362 3.837 30 20 CHED Cn1nccc1-c1cc(F)ccc1OCCC(C)(C)C#N 282010840 VCEKNPFPGAZPGK-UHFFFAOYSA-N 287.338 3.545 30 20 CHED CSc1ccccc1[C@H](C)NC[C@@H](C#N)CCC#N 281770106 SGXFBKVQWVDEED-QWHCGFSZSA-N 273.405 3.503 30 20 CHED CCSc1ccccc1C(=O)NCC#Cc1ccccc1 637267124 UWEXBQFRLKUPPC-UHFFFAOYSA-N 295.407 3.580 30 20 CHED C=C[C@@H](C)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 473874850 HLNOBIMWWWGNPS-GFCCVEGCSA-N 279.811 3.990 30 20 CHED Cn1ccc2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c21 296217151 KATONNMMNKIFBO-GOSISDBHSA-N 293.370 3.591 30 20 CHED CC[C@@](C)(C#N)C(=O)OCC(=O)c1ccc2ccccc2c1 803786154 BTISHLQYBYWANF-SFHVURJKSA-N 295.338 3.506 30 20 CHED C=C(CC)COC(=O)c1cc(NC)ccc1Cl 808611707 UCLRVBVHVCHPTL-UHFFFAOYSA-N 253.729 3.505 30 20 CHED C#CC[C@H](NCc1csc(C)c1)c1ccccc1 294910527 AGINDJGBBCJYMM-INIZCTEOSA-N 255.386 3.911 30 20 CHED C#CCCCCC(=O)NCCc1cc2ccccc2s1 293803245 AGCUPKXVHQINOM-UHFFFAOYSA-N 285.412 3.754 30 20 CHED Cc1c(CNCc2cccc(C#N)c2)n(C)c2ccccc12 389095392 KIYNCLNAQIWKEH-UHFFFAOYSA-N 289.382 3.648 30 20 CHED N#Cc1cccc(C2(NCc3ccccc3Cl)CC2)c1 556407604 GQQLYJKJDZQRGU-UHFFFAOYSA-N 282.774 3.991 30 20 CHED C#CCCCc1nc(-c2ccc(C(C)(C)C)cc2)no1 809492323 VKPUQSKFDOQBMI-UHFFFAOYSA-N 268.360 3.990 30 20 CHED Cc1cccnc1C(C)(C)CN[C@H](C)c1ccc(C#N)cc1 558499620 CYVJVMLZVSWMIE-OAHLLOKOSA-N 293.414 3.890 30 20 CHED C[C@H](C#N)OCCNC1(c2cccc(Cl)c2)CCCC1 801938521 GBTNKHRYFQEDNH-CYBMUJFWSA-N 292.810 3.628 30 20 CHED CC(C)c1[nH]ccc1C(=O)OCc1cc(F)ccc1C#N 803782886 VLSRWIRAHKXIAG-UHFFFAOYSA-N 286.306 3.506 30 20 CHED C=C(C)COCCNC(=O)CC(C)(C)C1CCCCC1 476349120 NOICHLHYFRAQHP-UHFFFAOYSA-N 281.440 3.692 30 20 CHED C#Cc1ccc(CN2C[C@H](c3ccccc3)O[C@H](C)C2)cc1 809553219 ZKZVXZNXZKYRGW-OXQOHEQNSA-N 291.394 3.630 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 560086134 XDOSCEGZNPWQRG-KRWDZBQOSA-N 285.431 3.988 30 20 CHED C[C@@H]1/C(=C/c2ccc(O)c(F)c2)C(=O)c2ccccc21 809156217 JUNDUAWFGSOKTP-WULZRQGASA-N 268.287 3.915 30 20 CHED C=CCOc1cccc(NC(=O)C2(CCC)CC2)c1 471340149 GLKNJKFAZJFAPR-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CCCCCCCC(=O)N(CCC#N)Cc1ccco1 299257386 HUZYTKWVFVLLDB-UHFFFAOYSA-N 276.380 3.882 30 20 CHED C=CCOCCCN[C@H](c1ccccc1C)C(C)C 470762494 UGPBMQACWKYPFW-KRWDZBQOSA-N 261.409 3.874 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2occc2C(C)C)cc1 290289928 YZGAIYFTZBYVNK-INIZCTEOSA-N 296.370 3.960 30 20 CHED O=C1/C(=C\c2cnccn2)Cc2cc(Cl)cc(Cl)c21 809158309 RYLQCFGEKTZSNZ-UITAMQMPSA-N 291.137 3.606 30 20 CHED CCC[C@@H](CC)SCC(=O)NC1(C#N)CCCCC1 477041011 CNSAUDPQVJZDBZ-CYBMUJFWSA-N 282.453 3.641 30 20 CHED C[C@@H](C=NNc1nc2ccccc2n1C)C(C)(C)C 800810894 YSYUVNTVHGWVME-NSHDSACASA-N 258.369 3.653 30 20 CHED COc1ccc(CC[C@@H](C)Nc2cc(C)nc(C#N)c2)cc1 561177030 WPMPMLAJTDMLGU-CYBMUJFWSA-N 295.386 3.704 30 20 CHED C#C[C@H](NC(=O)CC/C=C/c1ccccc1)C(C)(C)C 807883744 PNZQMDSQOJMMSV-WQMJKPAKSA-N 269.388 3.644 30 20 CHED CN(Cc1cccc(F)c1C#N)c1ccc(F)c(F)c1 562359487 SFHTYDGGKSDJNN-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C=CCCCCCCNC(=O)N[C@H](C)c1ncc(C)s1 805173634 ONMKANQVOGDQIJ-CYBMUJFWSA-N 295.452 3.948 30 20 CHED C=CCC(C)(C)CNCc1nccc2ccccc12 645185078 JCYWZEMFTNBEDS-UHFFFAOYSA-N 254.377 3.927 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)N1CCC(CCC#N)CC1 564653148 PFRVRECWKSAIDF-HNNXBMFYSA-N 291.439 3.847 30 20 CHED N#CC1(c2ccccc2)CC(NCC2(C3CC3)CCC2)C1 391550105 MZLCFQLJANPWEC-UHFFFAOYSA-N 280.415 3.780 30 20 CHED C=CCCCCCN1CCO[C@@H](c2cccc(C#N)c2)C1 488127962 PGLMEYWPZUXLBK-GOSISDBHSA-N 284.403 3.678 30 20 CHED Brc1ccc2c(c1)C(=NOCC1CC1)CC2 814243317 PYWSTPGWGMZGEY-UHFFFAOYSA-N 280.165 3.526 30 20 CHED C=CCCCCOC(=O)CCC(=O)c1cccs1 811010461 SWIICTGXCUMSSC-UHFFFAOYSA-N 266.362 3.611 30 20 CHED C#C[C@H](NC(=O)NC(C)(C)c1ccc(Cl)cc1)C(C)C 812026918 QYHFQJRDGMSALH-AWEZNQCLSA-N 292.810 3.532 30 20 CHED Cc1csc(NC(=O)N[C@H]2CCC[C@H](C)C2)c1C#N 562478769 OLLUNVGHBBIBND-ONGXEEELSA-N 277.393 3.628 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CCC[C@H](F)C1)c1ccccc1 648440475 VPHAWDCMEUJBDJ-XHSDSOJGSA-N 275.367 3.743 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)CC)ccc1O 819978182 OVQZVYKZRKJJSK-NSHDSACASA-N 275.348 3.526 30 20 CHED C[C@@H](NN=C1CCCc2sccc21)c1ccncc1 819818435 MIIWQZQIDWQSMY-LLVKDONJSA-N 271.389 3.534 30 20 CHED CC[C@H](C=NNc1ncncc1Cl)c1ccccc1 814909569 NJLDWTINTBEASS-LLVKDONJSA-N 274.755 3.722 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 488561028 QBTXHFSNNVWSJT-VIFPVBQESA-N 287.190 3.930 30 20 CHED CCc1ccccc1NN=Cc1nc2c(s1)CCC2 814801768 LOCYFJNWKDHQFG-UHFFFAOYSA-N 271.389 3.640 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCCSC1)c1ccc2ccccc2n1 810521171 LLWRNMTZJSEUTC-KGLIPLIRSA-N 296.395 3.554 30 20 CHED C=CCC(C)(C)CNC(=O)NC(C)(C)CC(F)(F)F 655967278 JWQCKBNKZQHQTF-UHFFFAOYSA-N 280.334 3.619 30 20 CHED C=C(CNC(=O)N[C@H](CC)CCC)c1ccccc1 487803678 SWSACGPIVFGEOG-OAHLLOKOSA-N 260.381 3.578 30 20 CHED CCCCCCCCN1CCC2(CC1)OCCCO2 815154934 GPBIXSAVZVIIGQ-UHFFFAOYSA-N 269.429 3.576 30 20 CHED CC(C)(CNCCC#N)c1ccc(Cl)c(Cl)c1 576100882 HNXHNGJJCOWZED-UHFFFAOYSA-N 271.191 3.774 30 20 CHED COc1cc(C(C)=O)ccc1SCC1(CC#N)CC1 657255171 IRNHRGZPKMOCLS-UHFFFAOYSA-N 275.373 3.684 30 20 CHED CCOc1ccc(NN=C(C)c2ccc3c(c2)COC3)cc1 814984701 GAELUEPXOQYDNK-UHFFFAOYSA-N 296.370 3.952 30 20 CHED N#Cc1ccc(OC(=O)c2cc(F)ccc2Cl)cc1 815900793 QOKUNAHZJGXDNK-UHFFFAOYSA-N 275.666 3.570 30 20 CHED Brc1ccc(CNN=C[C@H]2CC=CCC2)cc1 726740101 SAFXXANCIJHIAD-LBPRGKRZSA-N 293.208 3.881 30 20 CHED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 579617710 FYUPAORKFOXDRW-BCDXTJNWSA-N 271.404 3.600 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H](C)C[C@@H](C)C1 570027036 MPDVNSIUXLIWFL-GASCZTMLSA-N 290.455 3.535 30 20 CHED C[C@H]1CCN(c2cc(C#N)c3ccccc3n2)CC1(F)F 491589860 UYEZKZZNNGIVPF-NSHDSACASA-N 287.313 3.588 30 20 CHED CC#CCCNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 498579766 HWMWJDYHVBOEGV-GFCCVEGCSA-N 297.320 3.729 30 20 CHED C=C(C)[C@H](CC(=O)OCC[C@]1(C)C[C@]1(F)Cl)OCC 822048358 IVEORTQCRFCRHW-IACUBPJLSA-N 292.778 3.606 30 20 CHED CC(=NNc1ccc(C)nn1)c1cc(Cl)ccc1Cl 729935561 DWEBKJMJFLOAQE-UHFFFAOYSA-N 295.173 3.928 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(O)c(F)c2)c1 728438935 RCEPFKFSRZDOJC-VURMDHGXSA-N 286.302 3.826 30 20 CHED C#CCO[C@@H](C)C(=O)Nc1ccc(SC(C)(C)C)cc1 823007186 LMAWVSKYZYHCLE-LBPRGKRZSA-N 291.416 3.554 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1c(O)cccc1Cl 820509876 JODMSQZMVWAEEX-HJWRWDBZSA-N 298.729 3.569 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1c[nH]c2c(C)cccc12 490013961 OPXJBONQCGFOPJ-UHFFFAOYSA-N 284.403 3.737 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1coc2ccccc12 588523892 FJUFHQQXDUPBEI-ALCCZGGFSA-N 267.259 3.863 30 20 CHED C#CCN(C(=O)N[C@@H](CC)c1ccc(Cl)s1)C1CC1 491807699 CRZGWMQTHHERHS-NSHDSACASA-N 296.823 3.660 30 20 CHED CC(C)(C)OC(=O)NCC1CCC(=NOC2CCC2)CC1 496739183 IZIXGMTXYRLLLW-UHFFFAOYSA-N 296.411 3.626 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C/c1ccsc1 492202866 MDZXZHGDPMQLGM-AATRIKPKSA-N 268.341 3.580 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccccc1C(F)F 491486555 XEIZFBCYIYMZQF-JTQLQIEISA-N 266.291 3.548 30 20 CHED C=CCCc1ccccc1NC(=O)N1CC[C@@H]2C[C@H]2C1 667029281 WPNZUDNJGHAMRF-CABCVRRESA-N 270.376 3.679 30 20 CHED Cc1cccc(F)c1CNC1CCC(C)(C#N)CC1 823949615 OGXRHHCAAFGCDW-UHFFFAOYSA-N 260.356 3.696 30 20 CHED O=C1/C(=C\c2ccc3oncc3c2)Cc2ccccc21 821027833 MFBMSKPQSRHHDW-QPEQYQDCSA-N 261.280 3.650 30 20 CHED CCCCCc1ccc(NC(=O)c2cccc(C#N)n2)cc1 589272826 FAWJYQOADXPFNF-UHFFFAOYSA-N 293.370 3.938 30 20 CHED C#C[C@H](C)N(C)C(=S)Nc1ccc(Cl)c(Cl)c1 491288540 SMXZCFJCXOUSEX-QMMMGPOBSA-N 287.215 3.644 30 20 CHED CC1(c2ccccc2)CC(=NNc2nccnc2Cl)C1 733076964 AETKBYMHWZSTTJ-UHFFFAOYSA-N 286.766 3.650 30 20 CHED CC[C@H](N[C@H]1COCc2ccccc21)c1cccc(C#N)c1 903025892 VPYKSQGTRGOZJA-OALUTQOASA-N 292.382 3.870 30 20 CHED N#CC1(CCCCSCc2ccon2)CCC1 901765959 KBPBRGIROJWQPZ-UHFFFAOYSA-N 250.367 3.772 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cncn1C(C)C 901473882 DVLFTJWWZSHYMW-SNAWJCMRSA-N 260.362 3.730 30 20 CHED C#CCC1(C(=O)O[C@@H](C)c2cncc(F)c2)CCCCC1 839446976 SVZDWBJAAIRBDP-ZDUSSCGKSA-N 289.350 3.799 30 20 CHED COc1ccc(Cl)cc1/C=C/C(=O)c1cncc(F)c1 737445576 AZMFSIHUSQPTSF-DUXPYHPUSA-N 291.709 3.779 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)/C=C/c1ccccc1C#N 837228534 JRWQSZBIJFHUIC-WTNCMQEWSA-N 270.376 3.512 30 20 CHED C=C(C)CN(C)Cc1ncc(-c2ccccc2C)o1 679217344 ATKPYVFTXTZBSA-UHFFFAOYSA-N 256.349 3.658 30 20 CHED Cc1nc2ccc(NC(=O)CCCCCC#N)cc2o1 588149529 WSEZFSQZIGEYPQ-UHFFFAOYSA-N 271.320 3.549 30 20 CHED CC(=NNc1ccc(Br)nc1)c1ccc(C)o1 732712621 CRHCRSKAXIYBGF-UHFFFAOYSA-N 294.152 3.582 30 20 CHED CCc1nocc1/C=C1\C(=O)c2ccccc2[C@@H]1C 834441155 AZBOQENULPNJBA-WULZRQGASA-N 253.301 3.620 30 20 CHED COc1cc(C=NO[C@H]2CCCCO2)cc2ccccc12 834966342 GJHSHRBBNIEBBM-KRWDZBQOSA-N 285.343 3.726 30 20 CHED CC(C)Cc1cccc([C@H](C)NC2CCN(CC#N)CC2)c1 586789895 NFMWACRGKSRWJC-INIZCTEOSA-N 299.462 3.524 30 20 CHED CCCCCCCn1nc(-c2ccccc2)ccc1=O 919675664 NTCFVFIYDWFQLH-UHFFFAOYSA-N 270.376 3.881 30 20 CHED N#CCCCCOC(=O)c1cc2cc(F)ccc2s1 914617485 BBEOEBRZBUXDEU-UHFFFAOYSA-N 277.320 3.891 30 20 CHED Cc1cc(NC(=O)N(CCC#N)CC2CC2)ccc1Cl 594200696 LJDPKKYOCOQMQG-UHFFFAOYSA-N 291.782 3.806 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@@H](CC#N)C2)CC1 597908423 SJYCOVXNBANEFG-JYJNAYRXSA-N 276.424 3.601 30 20 CHED C=C(C)CNC(=S)N(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 917597524 LOVZRJKYGZXQSL-SOUVJXGZSA-N 292.492 3.728 30 20 CHED N#Cc1ccc(N(C(=O)CC2CCC2)C2CCC2)cc1 598887515 WBLWIUYPBIMHBS-UHFFFAOYSA-N 268.360 3.634 30 20 CHED Cc1cccn2c(/C=C3\Cc4c(F)cccc4C3=O)cnc12 741468392 SIIUCUYIUPNMMV-XYOKQWHBSA-N 292.313 3.604 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)[C@@H](C)C#N 598359649 MCHWGBFWXWGWOX-DOPJRALCSA-N 292.382 3.704 30 20 CHED C=C(CN[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1 675781828 COKMJSCATLDKRS-OAHLLOKOSA-N 259.393 3.636 30 20 CHED N#C[C@H]1CC[C@H](Sc2ncc(-c3ccccc3)[nH]2)C1 590721697 KSJDGWOEIUXULF-AAEUAGOBSA-N 269.373 3.861 30 20 CHED Cc1c(C(=O)N2CCC[C@H]3C[C@@H]32)sc2ccc(C#N)cc12 590038655 ULZXMNBASZQVLC-JSGCOSHPSA-N 296.395 3.706 30 20 CHED C=C(C)CONC(=O)Nc1ccc2ccn(CCC)c2c1 844542017 BPASHNVISNLROS-UHFFFAOYSA-N 287.363 3.681 30 20 CHED C=C(Br)COC(=O)C[C@@H](C)CC(C)(C)C 919496215 LEJBVTXFGYQIMD-SECBINFHSA-N 277.202 3.901 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 593457051 IGJAASBMSXJREV-NSHDSACASA-N 285.372 3.607 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1cc(C)ccc1C 916255333 SLPZHNNLZQLNTJ-UHFFFAOYSA-N 282.343 3.838 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(C(C)(C)C)cc1 844480245 BMFRNBFEMDFMTD-NSHDSACASA-N 262.353 3.612 30 20 CHED CC[C@H](CC#N)NCCn1ccc2cc(Cl)ccc21 594006648 KAYDTMDARQHONK-CQSZACIVSA-N 275.783 3.577 30 20 CHED CCOc1cccc(/C=C2\Oc3ccc(F)cc3C2=O)c1 749748956 REFCFKRYIBWDGO-SXGWCWSVSA-N 284.286 3.841 30 20 CHED Cc1cccc(Cc2noc(CC3(C#N)CCCCC3)n2)c1 596581885 ARWYHMALCXVFKC-UHFFFAOYSA-N 295.386 3.985 30 20 CHED C=C1CCN(C(=O)c2cc3ccccc3cc2OC)CC1 594848078 MXAFCKSNIJADJR-UHFFFAOYSA-N 281.355 3.641 30 20 CHED C=C(C)COC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 744040275 LMOGUJLDWNBXGR-UHFFFAOYSA-N 297.276 3.930 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccc2occc2c1 599905758 QUFHRDZJWPULEQ-UHFFFAOYSA-N 283.331 3.590 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CC)c1ccccc1OC 916493952 SJTWZMBJYMXAFI-OAHLLOKOSA-N 288.391 3.530 30 20 CHED C=CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C 598872369 RSWRCCDZEJSIQM-GFCCVEGCSA-N 290.363 3.511 30 20 CHED C#CCCCCCC(=O)O[C@H](C#C)c1ccc(F)cc1 842408414 VQZNIYBZLNLFSC-MRXNPFEDSA-N 272.319 3.627 30 20 CHED Clc1cccnc1NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 917548688 DXXIPUOZIWLDBK-WYUUTHIRSA-N 275.783 3.959 30 20 CHED C=CCCSCCNC(=O)c1cc(C)n(C(C)C)c1C 597975127 YXODQBGKOKKJPS-UHFFFAOYSA-N 294.464 3.725 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 593520104 JSGIWXGHCVXPIC-HZMBPMFUSA-N 294.345 3.718 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1cccc(C)c1 916240306 CXNYNCXUNDRUJB-UHFFFAOYSA-N 268.316 3.529 30 20 CHED N#C[C@H]1CC[C@@H](NCc2c(Cl)ccc3cccnc23)C1 591639772 MGORLAIXSVESQT-WCQYABFASA-N 285.778 3.670 30 20 CHED CCCCCCCC(=O)Nc1cc([C@H]2C[C@@H]2C)[nH]n1 747227094 JCJUQJJYFGTXKF-RYUDHWBXSA-N 263.385 3.832 30 20 CHED Cc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)c2ccccc12 591075878 YKLKFCYRNDIHQE-LJQANCHMSA-N 292.382 3.914 30 20 CHED COCc1csc(/C=C/C(=O)c2coc(C(C)C)n2)c1 849247288 APHLOFQJUNOGSM-SNAWJCMRSA-N 291.372 3.902 30 20 CHED Cn1ccnc1NN=C1CC[C@@H](c2cccc(Cl)c2)C1 841635578 DEIYLZAWRSMIPD-GFCCVEGCSA-N 288.782 3.809 30 20 CHED C#CCCCNC(=O)N(CC)[C@H](CC)c1ccccc1 743690829 KASZAKDZDLNGBC-MRXNPFEDSA-N 272.392 3.583 30 20 CHED COc1cc(C)cc2c1OC/C(=C\c1ccccc1C)C2=O 920389898 QHAIHYDLHARXEQ-XNTDXEJSSA-N 294.350 3.971 30 20 CHED CC(C)CSCCCON=Cc1cccs1 752762228 WABDBNYVDAGWEB-UHFFFAOYSA-N 257.424 3.878 30 20 CHED C=C(Cl)CSCC(=O)N[C@@H](C)Cc1ccccc1C 853783544 LOSJVHAAVROGPO-ZDUSSCGKSA-N 297.851 3.528 30 20 CHED COc1cccc(/C=N\CCc2ccccc2Cl)c1O 921261382 MXCSQTBTYPELOV-WQRHYEAKSA-N 289.762 3.716 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccc(C#N)c1)CO2 920068772 BOORAOIDRMGYMP-CXUHLZMHSA-N 289.334 3.834 30 20 CHED Fc1cc(F)c2c(c1)C(=NNc1ncccc1Cl)CC2 752727385 PBVQASYJQUTLHR-UHFFFAOYSA-N 293.704 3.776 30 20 CHED C=CC[C@@H](NC(=O)C[C@H](C)c1ccco1)c1ccncc1 859404133 IIENIONHQDGAFP-DZGCQCFKSA-N 284.359 3.602 30 20 CHED CCCCCCCC(=O)NCc1ccc(-n2ccnc2)cc1 921153821 SFYHYJDVBNCDSD-UHFFFAOYSA-N 299.418 3.849 30 20 CHED CSc1ccccc1N=Cc1cccc(O)c1O 920942996 KAGQSVQSKMTZGZ-UHFFFAOYSA-N 259.330 3.570 30 20 CHED CC(C)c1ncc(C=NN=c2cc[nH]c3ccccc23)s1 758369020 DDVVTIBDLHZGLB-UHFFFAOYSA-N 296.399 3.683 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)OCc1cc(C#N)ccc1F 920727135 KIJMYYAFKHIAJE-TZMCWYRMSA-N 289.350 3.957 30 20 CHED C=C(C)[C@H](C)OC(=O)c1ccc2nc(C(F)F)[nH]c2c1 756012205 DVTGMBDZYANELQ-QMMMGPOBSA-N 280.274 3.622 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cc(C)c(C)cc1C 755816140 SWUGADJEMSWOHM-INIZCTEOSA-N 261.365 3.879 30 20 CHED CC(CC1CCOCC1)=NNCc1cccc(Cl)c1 757585267 ZPKPMBITORFUFA-UHFFFAOYSA-N 280.799 3.622 30 20 CHED C[C@@H](C#N)c1ccc(-c2scc3c2OCCO3)cc1 854206560 XPGSBEUHWHPSJX-JTQLQIEISA-N 271.341 3.813 30 20 CHED C[C@H](OC(=O)[C@H](C)C1CCCC1)c1cccc(C#N)c1 750697230 NAPUNMRMCYEAPL-OLZOCXBDSA-N 271.360 3.989 30 20 CHED C#C[C@@H](CC)NC(=O)N(CCC)[C@@H]1CCc2ccccc21 753272054 HEHSBDYBULACGJ-DOTOQJQBSA-N 284.403 3.507 30 20 CHED CCC1(C/N=C\c2cc3ccccc3nc2O)CC1 751890543 NWFWVKURUKRQRM-YVLHZVERSA-N 254.333 3.550 30 20 CHED CCN(C[C@H](C)C#N)C(=O)/C(C)=C\c1ccccc1Cl 755544060 WOFPCVQRWYWAKE-FNWMBBJUSA-N 290.794 3.751 30 20 CHED Cc1csc(NC(=O)N(CC2CC2)C2CCC2)c1C#N 931412985 NGCZOIPMUQRDBM-UHFFFAOYSA-N 289.404 3.725 30 20 CHED C#CCCCC(=O)Nc1c(-c2ccccc2)ncn1C1CC1 758179787 UVADJFDMSMOLCA-UHFFFAOYSA-N 293.370 3.627 30 20 CHED Cc1cccc(NN=C2CCCOc3cc(F)ccc32)n1 863160038 ONEJJWALSWKCSP-UHFFFAOYSA-N 285.322 3.518 30 20 CHED C#CCCCN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 766234450 VCQZFQBVJNHZPW-HZPDHXFCSA-N 261.796 3.979 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 766021528 UJYJFOHTFDRMDN-SUMWQHHRSA-N 297.358 3.958 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cc(C)oc1C 769105513 MEHQAPYVIHEJFS-UHFFFAOYSA-N 280.371 3.956 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2C)ccc1C#N 766452255 DRHHSERUVVQRSM-UHFFFAOYSA-N 267.307 3.760 30 20 CHED C#C[C@H](C)N(C)C(=O)/C(C)=C/c1c(Cl)cccc1Cl 767244337 UXIXNTJMUVGCAZ-USKTWTLRSA-N 296.197 3.877 30 20 CHED Fc1ccc(C=NNCc2cnc3ccccc3c2)c(F)c1 764776260 UKNCLDJKGCSFGY-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C#CCCCN[C@H](C)CCc1ccc(OC/C=C\C)cc1 766222735 LISKPRHKOJTNCP-XTKXOIQPSA-N 285.431 3.966 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ncnc3ccsc23)o1 764841642 SYDDRGKNNQDIQV-KOLCDFICSA-N 298.371 3.854 30 20 CHED C=C(C)CNC(=S)N1CCCC[C@H]1CCC(C)C 760281299 CRDPPIQCUCMISY-AWEZNQCLSA-N 268.470 3.728 30 20 CHED Cc1cccc(C[C@H](C)NCC2CCC(C#N)CC2)c1 866354179 YFHVACKQURLGCG-GTPINHCMSA-N 270.420 3.846 30 20 CHED CC1(C)CCCC(=NNc2cccc([N+](=O)[O-])c2)C1 767741986 FPTPRPGVOWKOGV-UHFFFAOYSA-N 261.325 3.963 30 20 CHED Cc1cc(N(C)C)ccc1CNc1cc(F)cc(C#N)c1 864043521 LLSYQSVOZKNEME-UHFFFAOYSA-N 283.350 3.684 30 20 CHED Oc1ccc(-c2ccccc2)cc1C=NOCC(F)(F)F 764844134 GPVXWNUDYNDWFQ-UHFFFAOYSA-N 295.260 3.972 30 20 CHED O=C1/C(=C/c2cncs2)CCCc2ccccc21 767716032 HQWYRCUCMRQYEL-XYOKQWHBSA-N 255.342 3.746 30 20 CHED C#CCCNc1cccc(NC(=O)c2ccccc2)c1C 760292066 OXKZCXUNMCPNBD-UHFFFAOYSA-N 278.355 3.683 30 20 CHED C=C[C@@H](OC(=O)C1CCN(C(C)C)CC1)c1ccccc1 875830034 LXRYBLXYHDWIJW-QGZVFWFLSA-N 287.403 3.577 30 20 CHED C#CCCCN1CCC[C@H]1COc1ccc(Cl)cc1 766895334 FHNXVDYUBZHARO-HNNXBMFYSA-N 277.795 3.597 30 20 CHED C=C[C@](C)(CC)c1nnc([C@@H](C)CN2CCC(C)CC2)o1 1118426465 RNDAAPHHIQIMLQ-WMLDXEAASA-N 291.439 3.759 30 20 CHED C#CCCCCN[C@H]1c2cccc(F)c2CC[C@H]1C 773042814 XBYJKKIKSUDBPG-CXAGYDPISA-N 259.368 3.842 30 20 CHED COc1ccc2nc(NN=C3CCO[C@@H](C)C3)c(C)cc2c1 777912997 GDPSPYDYXPGCOJ-LBPRGKRZSA-N 299.374 3.519 30 20 CHED C=CCN(C(=S)N[C@H](CC)c1cccs1)C1CC1 771547781 KEOUJCIZOXQCKL-GFCCVEGCSA-N 280.462 3.724 30 20 CHED C#CC[C@H](NCc1ccc(F)cc1C#N)c1ccccc1 775399424 RFMSARCUUFSQCP-SFHVURJKSA-N 278.330 3.552 30 20 CHED C=C(Cl)CN1CCn2c(cc3ccc(Cl)cc32)C1 773972197 KAFGAZLLKCRPJA-UHFFFAOYSA-N 281.186 3.863 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 879028778 LLXFDBFWOYMXQC-IAGOWNOFSA-N 296.414 3.887 30 20 CHED FC(F)(F)Oc1ccccc1NN=Cc1ccco1 777453021 JWTCBRWPRGLTPF-UHFFFAOYSA-N 270.210 3.624 30 20 CHED CC1CC(C#N)(c2ccc(Br)cc2)C1 70068577 FWZRVJDMBQLBPA-UHFFFAOYSA-N 250.139 3.640 30 20 CHED C#C[C@H](C)N(C)Cc1cc(C(F)(F)F)ccc1Cl 775184469 WIUJVRHTYIJTDN-VIFPVBQESA-N 275.701 3.812 30 20 CHED C=CCCN1CCC(c2ccc(N(C)C)cc2)CC1 775881484 AKZAVPNXGUHTKZ-UHFFFAOYSA-N 258.409 3.508 30 20 CHED CC(=NN[C@@H](CO)c1ccccc1)c1cc(C)c(C)cc1C 788458888 ALBHTYRMPLTDRT-IBGZPJMESA-N 296.414 3.659 30 20 CHED COc1cccc([C@@H](C)CCCC(=O)OCCCC#N)c1 789045733 DQOHYYCBEQGYGW-AWEZNQCLSA-N 289.375 3.816 30 20 CHED C#C[C@@H](OC(=O)c1ccco1)c1ccc(Cl)cc1F 788152644 GYFACCNUUIADAW-GFCCVEGCSA-N 278.666 3.603 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(-c3ccccc3Cl)nn2)C1 894272901 MLEAYDGVINROLX-NWDGAFQWSA-N 298.777 3.901 30 20 CHED CN(C)[C@@H]1CCCC(=NNc2ccc3ccccc3n2)C1 788407109 CEBPSACDLFVQLM-OAHLLOKOSA-N 282.391 3.507 30 20 CHED O=c1[nH]ccc2cc(NN=C3CCCCCC3)ccc12 789077513 VIFZNDFENUXNPJ-UHFFFAOYSA-N 269.348 3.650 30 20 CHED CCCCNN=C1CC(c2ccc(Cl)cc2)C1 783826287 DBSOMVMJEVODCF-UHFFFAOYSA-N 250.773 3.963 30 20 CHED C=CC1(OC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 893365380 KUKSLSGUFOMTOG-ZJUUUORDSA-N 262.271 3.617 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H]2c2ccc(F)cc2)nc1 783292511 ASLUVHLABPNBSR-MSOLQXFVSA-N 295.361 3.518 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc(F)cc1C 891938098 XUVHSTKFOJBQEU-UHFFFAOYSA-N 277.387 3.681 30 20 CHED C#CCC1(C(=O)N[C@H](C)CCC(C)C)CCCCC1 788135773 PATUIOBLPGQOSM-OAHLLOKOSA-N 263.425 3.901 30 20 CHED CCCC[C@H]1CCCC1=NNc1ccc(OC)cn1 780270360 GXEMZVNJLLZKAG-LBPRGKRZSA-N 261.369 3.848 30 20 CHED C=C1CC(c2noc([C@H](C)c3ccccc3F)n2)C1 896881524 JFEKTQJTPWFBGJ-SNVBAGLBSA-N 258.296 3.794 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1cc(C)on1 790288130 YXCFUWCNAHTRRM-UHFFFAOYSA-N 267.691 3.612 30 20 CHED Cc1ccc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1C#N 799345818 PTQYYGRINAQVKD-HUUCEWRRSA-N 292.382 3.789 30 20 CHED C=CCCN(C)Cc1csc(-c2cccs2)n1 276362850 FZPBATUFCRLREQ-UHFFFAOYSA-N 264.419 3.880 30 20 CHED Cc1csc(NC(=O)NC[C@H]2CCCC[C@@H]2C)c1C#N 1204889498 RDYUMQPCFGPONO-CMPLNLGQSA-N 291.420 3.876 30 20 CHED Cc1cccnc1NN=Cc1ccc([C@@H]2C[C@@H]2C)o1 790193190 XNQBSTMGBSOVAN-WCQYABFASA-N 255.321 3.552 30 20 CHED CC1(CNN=C2CCC3(CCOCC3)CC2)CCCC1 793084975 RZEMVPFTFNNHKP-UHFFFAOYSA-N 278.440 3.883 30 20 CHED CCCCCCCC(=O)Nc1cccc2c1CCNC2 59528813 WRSLFMMSJAYIJE-UHFFFAOYSA-N 274.408 3.631 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(-c2ccccc2)on1 796474972 WIRILZBHJHWEJN-UHFFFAOYSA-N 285.343 3.987 30 20 CHED C#C[C@H](CCC)NC(=O)CCc1ccc(C(C)C)cc1 791213564 PRZRNUHLZQHXCI-QGZVFWFLSA-N 271.404 3.661 30 20 CHED C[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)C 793517425 HLYPWQKONJKYDH-ZDUSSCGKSA-N 286.419 3.900 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1cccnc1C1CC1 799442621 RKRQVSHAMCKNMX-UHFFFAOYSA-N 292.338 3.612 30 20 CHED N#Cc1cc(NCCc2ccc(Cl)c(Cl)c2)ccn1 716318601 ISDPYKKSYARBSW-UHFFFAOYSA-N 292.169 3.915 30 20 CHED FC(F)(F)CCNN=Cc1cccc(C(F)(F)F)c1 794551666 HZVWCFSFCQMMPE-UHFFFAOYSA-N 284.203 3.581 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H]2C=CCCC2)c1 571498178 GAWGCYAMKKEAGA-ZDUSSCGKSA-N 254.333 3.552 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc(C2CCC2)cc1 756576862 YHMSSPXJELNTOG-UHFFFAOYSA-N 269.388 3.620 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(C#N)c(F)c1 1219030763 LGLDRZOFHZAXBQ-AAEUAGOBSA-N 289.354 3.645 30 20 CHED C#CCOc1ccc(NC(=O)C2(C)CCCCC2)cc1 780629984 BIRBPULBMKVRFQ-UHFFFAOYSA-N 271.360 3.608 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1c1cc(C)c(C#N)cn1 1306999708 ZQUYNPOCBRWHSX-WFASDCNBSA-N 257.381 3.667 30 20 CHED C[C@@H](NC(=O)NCC1C(C)(C)C1(C)C)c1cccc(C#N)c1 1226973299 OVRKZQFRZILJSR-GFCCVEGCSA-N 299.418 3.601 30 20 CHED CC(C)CC1(CNC(=O)Nc2cccc(C#N)c2)CCC1 1310076015 DKVRAIZGOMIYGS-UHFFFAOYSA-N 285.391 3.896 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCCC[C@H]2C)c1C#N 1161970412 JZMUEUNXYVVROA-NOZJJQNGSA-N 263.772 3.906 30 20 CHED C[C@H]1CCC[C@@H]1CNc1nc(C#N)c(Cl)s1 1163145496 PLKNQADVPALPRY-JGVFFNPUSA-N 255.774 3.516 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1sccc1C#N 1310956701 NMYMRHUJMLRLFA-NWDGAFQWSA-N 291.420 3.958 30 20 CHED C=CC(C)(C)CNC(=O)C1(c2ccc(F)cc2)CCC1 1328077340 GGARQLUWFYNNEY-UHFFFAOYSA-N 275.367 3.576 30 20 CHED CCCC(=O)Nc1ccc(O)c(C(C)=NOC(C)(C)C)c1 1323132761 QKRSANLKMWKGSD-UHFFFAOYSA-N 292.379 3.670 30 20 CHED Cc1ccc(CN(C)Cc2cccc(C#N)c2F)cc1C 1249691818 UBFSQDSASSQTAS-UHFFFAOYSA-N 282.362 3.946 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NOCCC(F)(F)F 1320446510 WMCCHCVLRKZAKL-VIFPVBQESA-N 287.281 3.881 30 20 CHED CC[C@@H](C#N)OC(=O)c1c(-n2cccc2)sc(C)c1C 1324286958 LFAMVPZUIDSJRX-LBPRGKRZSA-N 288.372 3.615 30 20 CHED C=C[C@H](COC)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 1325620116 PMCJQOXWPQXOCQ-DZOHQFGASA-N 273.420 3.749 30 20 CHED N#Cc1cc(F)cc(NC[C@@H]2C[C@@H]2c2ccccc2)c1 1665454567 WHGQINSDWGITCW-WMLDXEAASA-N 266.319 3.913 30 20 CHED C=CCC(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 1328156934 MIWTWMUBNNXEAQ-UHFFFAOYSA-N 285.303 3.881 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@@H]1CCC(C)C 1339831164 YZQWTHIFJYHCHM-GFCCVEGCSA-N 298.381 3.807 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NNc1ccnc(F)c1 1254390845 KPOFSSGFFJJRPJ-SNVBAGLBSA-N 285.322 3.558 30 20 CHED CCCC1(C(=O)Nc2cc(OC)c(C#N)cc2F)CCC1 1331461246 HVVDVVBJVJGFFP-UHFFFAOYSA-N 290.338 3.615 30 20 CHED CC(C)Sc1ccccc1C(=O)N(C)[C@@H](C)CC#N 1337807750 IBMIKRVGUHEPBG-LBPRGKRZSA-N 276.405 3.561 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 1339152757 MRSBFKGHIUSDRX-RYQLBKOJSA-N 299.414 3.756 30 20 CHED C=CCN(C(=O)CCOc1ccccc1C)c1ccccc1 1337241954 DSJORSPEAKPRGF-UHFFFAOYSA-N 295.382 3.983 30 20 CHED Cc1cc(CNc2ncccc2OC(C)C)ccc1C#N 1343915536 SOANUDMPYKMVME-UHFFFAOYSA-N 281.359 3.661 30 20 CHED Cc1ccc(F)cc1NC(=O)[C@@H](CC#N)c1ccccc1 1348563656 MLHJWEMPWNVLTJ-HNNXBMFYSA-N 282.318 3.770 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(F)cc(F)c1 156880087 SHEHEXWYMLMKBO-UHFFFAOYSA-N 267.319 3.783 30 20 CHED COc1c(C)ccc(NC(=O)c2ccc(C#N)cc2F)c1C 1350234144 GWVMFDHAYJTPMZ-UHFFFAOYSA-N 298.317 3.575 30 20 CHED N#CCc1ccc(NC(=O)CC2=CCCCC2)cc1 106602556 YUEJCGGJIOSRHS-UHFFFAOYSA-N 254.333 3.582 30 20 CHED CC(C)Sc1ccccc1NCCO[C@@H](C)C#N 802743852 QFTMXNCSFBNXGL-LBPRGKRZSA-N 264.394 3.528 30 20 CHED Cc1cccn2cc(C(=O)N(CCC#N)CCC(C)C)cc12 1293065684 GLDJDGWSNSASGP-UHFFFAOYSA-N 297.402 3.650 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(-c2ccncc2)c(C)c1 1298666686 ZIPFDLKCNVFMBF-ZDUSSCGKSA-N 279.343 3.545 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]([C@H](C)O)C1 129896641 NFYJTXCCJRFUOA-HOTGVXAUSA-N 283.456 3.747 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc3c(s2)CCCC3)C1 1528488766 BYDGJBFLNNCFTN-WCQYABFASA-N 289.400 3.866 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1scc(C)c1C#N)CC2 1466472436 LPQMQTDRTZNTHE-UHFFFAOYSA-N 297.383 3.831 30 20 CHED Cc1cc(NCc2c(C)cc(C#N)cc2C)cc(C(=O)O)c1 1600280538 PDJWPIARPULJNJ-UHFFFAOYSA-N 294.354 3.794 30 20 CHED Cc1cc(CNCC2(c3ccccc3C)CC2)ccc1C#N 1473972342 MJYNJNMZSWQSRK-UHFFFAOYSA-N 290.410 3.997 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)C1(C#N)CCCCC1 1544683544 AHCJKJMYVYLVIW-HUUCEWRRSA-N 276.424 3.793 30 20 CHED C=C(Cl)CN[C@@H](c1ccc(C)cc1)c1ccccn1 1617694218 PURBNCQADUOPOS-INIZCTEOSA-N 272.779 3.822 30 20 CHED Cc1c(Cl)cnc(N(C)CCC(C)(C)C)c1C#N 1612532865 HUVNKURTFGIQSZ-UHFFFAOYSA-N 265.788 3.788 30 20 CHED Cc1cc(S[C@@H](C)c2cnccn2)ccc1C#N 1473048911 GFDWNUJHNIADTE-NSHDSACASA-N 255.346 3.510 30 20 CHED CC1(C)CCC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 1625379882 TZMMOUQJVBZGFY-LLVKDONJSA-N 292.329 3.535 30 20 CHED CC[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C1CCCC1 1556592076 WZRWCRYOAGMNHB-HNNXBMFYSA-N 292.329 3.535 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(CC2(CC#N)CC2)C1 1559573507 GPOIQMVSVUMVPM-CZUORRHYSA-N 272.367 3.902 30 20 CHED C[C@H]1C[C@H](CCNC(=O)NCC(C)(C)C#N)CC(C)(C)C1 1634161430 XQXJKRSIDRXFBW-KBPBESRZSA-N 293.455 3.688 30 20 CHED Cc1cccc([C@H](C)NCc2cccc(F)c2C#N)c1 1560702915 JYOPBFDSELQPEM-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C=C(Cl)CN[C@H](CC)c1cc(F)ccc1OC 1644586372 JAGUECCFVHOFJW-GFCCVEGCSA-N 257.736 3.628 30 20 CHED Cc1nc(Nc2ccc3c(c2)C[C@@H](C)O3)c(Cl)cc1C#N 1652285440 ZMOVKAWFPZJKQK-SECBINFHSA-N 299.761 3.982 30 20 CHED C=C[C@@H](N[C@@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)O 1588693494 ZTJFBZSVPSZNPE-SUMWQHHRSA-N 297.354 3.769 30 20 CHED C=C(C)c1cccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@H]32)c1 1588605528 KVCLJCIUHSOMNW-WMHQRMGPSA-N 271.360 3.631 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1cncc(F)c1 150952332 VUAXMNUSTKEXME-HWKANZROSA-N 259.255 3.564 30 20 CHED CCOc1cccc([C@@H](C)NCc2ccccc2C#N)c1 161303002 ZLFAWGXGHKRMJF-CQSZACIVSA-N 280.371 3.808 30 20 CHED CCCCCCCOC(=O)c1ccccc1C(=O)OC 167589567 HJOXYDMLDIRNIT-UHFFFAOYSA-N 278.348 3.600 30 20 CHED C=C(C)CNC(=O)Nc1cc(OC)ccc1OCCCC 156398093 YHESRUGEVZAWMN-UHFFFAOYSA-N 292.379 3.572 30 20 CHED C=CCn1c(SC[C@@H](C)CC)nnc1-c1cccnc1 154467663 UDDPANPMUJONDR-LBPRGKRZSA-N 288.420 3.664 30 20 CHED N#Cc1ccnc(CNc2cccc(C3CCC3)c2)c1 901422610 CLAVTRLQOKVJNE-UHFFFAOYSA-N 263.344 3.833 30 20 CHED C=CCN(Cc1cc(C(C)=O)ccc1OCC)C(C)C 917167123 URXFYLNZOIDOBN-UHFFFAOYSA-N 275.392 3.684 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@@H]2c2ccccc2)c1Cl 236051918 UKMPLFGWLYYSEY-OLZOCXBDSA-N 269.735 3.575 30 20 CHED N#Cc1cccc(CNc2ccc(C(F)F)cc2)n1 1308958737 KIFBAEKHQNAYMN-UHFFFAOYSA-N 259.259 3.503 30 20 CHED C[C@H](NC[C@H]1CCCCS1)c1ccc(OCC#N)cc1 156376719 FLRRAYKTNLNFOU-XJKSGUPXSA-N 290.432 3.525 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCc1cc(Cl)cc(Cl)c1 158346201 IHIWPXUPNDBXER-AWEZNQCLSA-N 299.201 3.734 30 20 CHED Cc1ccccc1CN(C)c1ccc(C#N)cc1F 48872710 YKUQNXDHVSORCV-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C[C@@H]1CCC[C@H](NCCc2cccc(C#N)c2)[C@@H]1C 467434141 UEXINWDDMNPOPK-CPUCHLNUSA-N 256.393 3.515 30 20 CHED Cc1ccc(CNCc2cccc(C#N)c2)cc1Cl 193733677 MCQYGAFLDULAGW-UHFFFAOYSA-N 270.763 3.810 30 20 CHED C#CCN(C(=O)[C@H]1CCCC(F)(F)C1)C1CCCCC1 491099629 BVQRZGDSIDXGJF-ZDUSSCGKSA-N 283.362 3.606 30 20 CHED CC(C)(CCC#N)CNCc1cnccc1C(F)(F)F 596062477 PWNFOMUCLXQKRG-UHFFFAOYSA-N 285.313 3.520 30 20 CHED COc1cc(C#N)ccc1OC[C@@H]1CCCCC1(F)F 382076349 HOZHFDZSMFACMC-LBPRGKRZSA-N 281.302 3.771 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc2c(c1)OCCCO2 393773245 CERDMWVOUUADMZ-ZFWWWQNUSA-N 275.392 3.853 30 20 CHED C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1csnn1 398272263 BPPUKVAHFRZACR-ZETCQYMHSA-N 298.293 3.602 30 20 CHED C=CCSc1nc2cc3ccccc3cc2c(=O)n1CC 7577741 JFXLLMIRBYZNTB-UHFFFAOYSA-N 296.395 3.848 30 20 CHED C=CCCCN(C)[C@@H]1CCCc2nc(C)sc21 117882655 DWEJFBQDBXAJEN-CYBMUJFWSA-N 250.411 3.727 30 20 CHED Cc1cc(CN(C)[C@@H](C)CC#N)c(O)c(C(C)(C)C)c1 103460846 ASDLZIMGVATNAT-ZDUSSCGKSA-N 274.408 3.732 30 20 CHED C[C@H]1CCN(CC#N)c2cc(Cl)ccc2S1 177037004 GYKJYRZLVWMWHA-VIFPVBQESA-N 252.770 3.554 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1 177070577 SMXDHEQCHTUSRF-MRXNPFEDSA-N 286.400 3.582 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2ccc(C)cc2)c1 113961455 GMKDVRXTYYPZHB-GOSISDBHSA-N 294.398 3.966 30 20 CHED N#CC1(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)CCC1 107571890 YZILMBGLBGFEPB-IRXDYDNUSA-N 290.366 3.506 30 20 CHED C#CCCCN[C@H]1CCCOc2c(C)cc(C)cc21 178060342 PDTOIFHCHWAECW-INIZCTEOSA-N 257.377 3.520 30 20 CHED Cc1nc(CN(Cc2ccc(C#N)cc2)C2CC2)sc1C 176335817 KXQBSCWQMCHIOG-UHFFFAOYSA-N 297.427 3.796 30 20 CHED CCCCCCCCCNC(=O)CC1CCOCC1 117235886 RKNLETLLFRGIRU-UHFFFAOYSA-N 269.429 3.670 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C/c1c(C)noc1C 170967264 PNUAHEHXSSIGAT-AATRIKPKSA-N 291.734 3.850 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1ccc2[nH]ccc2c1 171962148 UMKFHWKRNXYYMS-VMPITWQZSA-N 287.322 3.691 30 20 CHED C=CC1CCN(c2nc(-c3cccnc3)nc(C)c2C)CC1 301407397 VTBIUIWYFCRHTG-UHFFFAOYSA-N 294.402 3.558 30 20 CHED COc1ccccc1[C@H]1CCCN1Cc1ccccc1C#N 69085878 HMZQXILUMSGBBO-GOSISDBHSA-N 292.382 3.904 30 20 CHED C[C@H](CNc1ccc(F)cc1C#N)Oc1ccccc1F 301468700 RNOSSPNTEWQUBH-LLVKDONJSA-N 288.297 3.716 30 20 CHED C[C@]1(C(=O)O[C@H](CC#N)c2ccco2)C[C@@H]1c1ccccc1 1347948277 DNAFMVASCFVNJN-KYJSFNMBSA-N 295.338 3.971 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)CCCc2ccccc2)c1 302077195 AHNDIGHNSGNHKF-UHFFFAOYSA-N 292.382 3.830 30 20 CHED C[C@H]1CN(c2cccc(F)c2C#N)C[C@@H](c2ccccc2)O1 301133524 YSGUQVBMFBTKAU-UGSOOPFHSA-N 296.345 3.664 30 20 CHED N#CCC[C@@H](C#N)CSc1nc2ccccc2s1 66237214 FPDFLZMCQQKMQZ-JTQLQIEISA-N 273.386 3.832 30 20 CHED C=CCN1CCC(N[C@@H](CC)c2ccc(F)cc2F)CC1 177909419 BSFVPXFHGAVHLI-KRWDZBQOSA-N 294.389 3.656 30 20 CHED N#Cc1ccc(CNCCc2c[nH]c3ccc(Cl)cc23)o1 174592779 QWLGUVDHSQNEAS-UHFFFAOYSA-N 299.761 3.618 30 20 CHED C=C(C)COC(=O)c1ccc2ccc(Cl)cc2n1 176464087 XDELHZQCWNEGLF-UHFFFAOYSA-N 261.708 3.621 30 20 CHED N#Cc1ccc(SCC(F)F)cc1C(F)(F)F 122254256 HNQUABVQMFHZTN-UHFFFAOYSA-N 267.222 3.934 30 20 CHED C#CCCCCC(=O)N(C)c1ccc(C(C)C)cc1 120285644 LYWUEJIBYYCBEL-UHFFFAOYSA-N 257.377 3.966 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@H]1c1ccc(F)cc1 302840814 CQWSVRWBKDFDKM-BLLLJJGKSA-N 270.282 3.804 30 20 CHED Cc1cc(C#N)ccc1CSc1nnc(C(C)(C)C)o1 186261334 KTELANLGOCLGRI-UHFFFAOYSA-N 287.388 3.840 30 20 CHED C=C[C@H](CC(=O)Nc1cc([C@H]2C[C@@H]2C)n[nH]1)c1ccccc1 120420571 PDMSFACTOXVFMW-GUTXKFCHSA-N 295.386 3.832 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N 182076344 SZQZHYZRFDLVAJ-FRRDWIJNSA-N 274.364 3.598 30 20 CHED C[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 78973152 RWCSLLYRDNBCQS-CHWSQXEVSA-N 294.354 3.699 30 20 CHED Cc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1 181123595 MFYMWLPSRQIWOK-AWEZNQCLSA-N 266.344 3.898 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ncc(Br)s1 281688647 RXMMHXWBKKSIDN-IUCAKERBSA-N 289.242 3.911 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C1(C)C 182052560 JVPPQJGCLUGWAG-YESZJQIVSA-N 286.419 3.825 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2F)c(F)cc1[N+](=O)[O-] 123438333 FZPKBBRVZFSXII-UHFFFAOYSA-N 290.225 3.845 30 20 CHED N#CC1(CCN2CCOC[C@@H]2c2ccccc2)CCCCC1 411306257 YTBDFPUOLMLWPH-GOSISDBHSA-N 298.430 3.924 30 20 CHED N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1Cl 37979463 ZGSQTEVHXDSQKB-UHFFFAOYSA-N 274.682 3.603 30 20 CHED COc1cc(Cl)ccc1CN[C@@H]1CCC[C@H](C#N)C1 185836132 XJTQGLVCOJCCKR-SMDDNHRTSA-N 278.783 3.521 30 20 CHED CCCC(=O)Nc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 185781847 XIAUJRUZYZTQCA-HOCLYGCPSA-N 299.418 3.597 30 20 CHED C=C(C)CNCc1cc(Cl)ccc1OC(F)F 122576766 FYCJTEISMMWDLZ-UHFFFAOYSA-N 261.699 3.607 30 20 CHED C=CC1CCN([C@@H](C)c2nc3ccccc3o2)CC1 181106546 UOGOAICBHGXCAK-LBPRGKRZSA-N 256.349 3.787 30 20 CHED C=C[C@@H]1CCCCN1c1ncnc2scc(C)c12 413261894 GTNVQCKJCRJTFP-LLVKDONJSA-N 259.378 3.545 30 20 CHED C=CCSCCNC(=O)[C@H](C)CC1CCCCC1 508893481 JMVVLZWSDDLPMM-CYBMUJFWSA-N 269.454 3.628 30 20 CHED CO[C@H](C)CCC(=O)Nc1scc(C(C)(C)C)c1C#N 410932545 YJCXCRNXUMQGPN-SNVBAGLBSA-N 294.420 3.671 30 20 CHED CC#CCCCC(=O)Nc1cccc(COCC2CC2)c1 185275938 YBGPAJBWTZYRGK-UHFFFAOYSA-N 285.387 3.745 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(C2CCC2)cc1 410831644 AEYHFOBXDOBZTK-MRXNPFEDSA-N 270.376 3.718 30 20 CHED C=CCC1(C(=O)NCC2(c3ccc(F)cc3)CC2)CCC1 188848493 DEJOEVKYXHFBPE-UHFFFAOYSA-N 287.378 3.720 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)o1)c1ccc(C2CC2)cc1 416084951 ZCBLOPYPTXTLNU-NSHDSACASA-N 280.327 3.520 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1 42384102 IUWFZJLHDKUIIU-OAHLLOKOSA-N 296.395 3.791 30 20 CHED N#Cc1ccc(NC[C@H]2CCOc3ccccc32)c(F)c1 134475205 JPSJPVMKEIJSNS-CYBMUJFWSA-N 282.318 3.676 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(Cl)c(SC)c1 417272544 URHAMOLWWPMXSE-UHFFFAOYSA-N 282.796 3.549 30 20 CHED CC[C@@H](CC(=O)N(CC)CCC#N)c1ccc(C)cc1 133405768 KYJUDSUYYKSQIQ-HNNXBMFYSA-N 272.392 3.641 30 20 CHED COc1ccccc1CCCN(CCC#N)CCC(C)C 505608741 OLZARTSKSBLKBH-UHFFFAOYSA-N 288.435 3.890 30 20 CHED N#CC1(C(O)=Nc2ccc(F)c(C3CC3)c2)CCC1 329804254 LVASVIXWRWWVBJ-UHFFFAOYSA-N 258.296 3.985 30 20 CHED CC(C)(C#N)CCCSCc1cc(O)nc(C2CC2)n1 419590148 RHTJELGEGIWTQU-UHFFFAOYSA-N 291.420 3.623 30 20 CHED CC1(C)CC[C@H](/N=C(/O)c2cc(O)nc(C3CC3)c2)C1 329999666 VCQVKHHIVRYHLZ-LBPRGKRZSA-N 274.364 3.548 30 20 CHED CSc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1 80399111 CQIYELHYRGCYRG-UHFFFAOYSA-N 296.395 3.552 30 20 CHED CC(C)CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 42062505 RSEJIKOBAQYMPQ-UHFFFAOYSA-N 297.320 3.609 30 20 CHED C=CCSCCNC(=O)c1cc2c(s1)CC[C@H](C)C2 195728662 WBIFUKDEMLYGPM-NSHDSACASA-N 295.473 3.522 30 20 CHED Cc1nc(COc2ccc(C#N)cc2Cl)cs1 42210719 GEVHOPZQSKSIDE-UHFFFAOYSA-N 264.737 3.556 30 20 CHED N#CCCNCc1cccc(OCCCc2ccccc2)c1 425997984 FDHXJOMIWHPDIH-UHFFFAOYSA-N 294.398 3.701 30 20 CHED C=CCn1c(C)nnc1N1CC(C)(C)C[C@@H]1c1ccccc1 424114973 SUTZTZCXYZSTOZ-MRXNPFEDSA-N 296.418 3.750 30 20 CHED N#CCCN(Cc1cscc1Br)CC1CC1 289026018 AQMUTLNMJHITSX-UHFFFAOYSA-N 299.237 3.636 30 20 CHED Cc1occc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 80451074 IIOCBZLSTBVYRC-LLVKDONJSA-N 274.345 3.658 30 20 CHED CC(C)=CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 531209592 VPNUVAIZFARBKV-SJORKVTESA-N 254.377 3.724 30 20 CHED Cc1cc(/C=C/C(=O)c2ccsc2)cc(C)c1O 194615312 HGUMPRQKVVTWGL-ONEGZZNKSA-N 258.342 3.967 30 20 CHED N#CC1(CN2CCCC[C@H]2c2nc3ccccc3o2)CC1 329184575 FYNWUXUWACTSAQ-AWEZNQCLSA-N 281.359 3.659 30 20 CHED C[C@H](OC1CCCCCC1)/C(O)=N/[C@@H]1CCC(O)=N[C@@H]1C 328693952 FVFUMOZLLDVSIR-MBNYWOFBSA-N 296.411 3.578 30 20 CHED C=C(C)[C@@H](NC[C@H](OC)C1CC1)c1ccc(F)c(F)c1 425436082 VCBGRMRATQXCOB-JKSUJKDBSA-N 281.346 3.597 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnc(-c2ccccc2)nc1C 337090818 KHHGJHKALYHJJJ-HNNXBMFYSA-N 295.386 3.537 30 20 CHED Cc1cc([C@H](C)Nc2ncc3c(c2C#N)CCC3)c(C)o1 425205535 BPZFIYNBXOFTKT-NSHDSACASA-N 281.359 3.825 30 20 CHED C[C@@H](C#N)CNCCCc1c(Cl)cccc1Cl 193312606 DLHZVQRJHLLNNY-JTQLQIEISA-N 271.191 3.675 30 20 CHED C=C(C)CCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 510799887 UWTNJYMWQHQZQJ-GJZGRUSLSA-N 283.774 3.865 30 20 CHED CC#CCCCC(=O)N(C)C/C(C)=C/c1ccccc1 427218474 MMGIYVBLKSOLME-JQIJEIRASA-N 269.388 3.742 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(C)CCCC1 425438429 AVABZGQWFFXILO-AWEZNQCLSA-N 299.418 3.841 30 20 CHED CCC(C)(C)C/N=C(/O)Nc1c(C)cccc1OC 331320446 JAVXKCXLXGQKNY-UHFFFAOYSA-N 264.369 3.766 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCNc1ncc(C#N)cc1Cl 339136352 LPPAJCVQTCKFLF-RISCZKNCSA-N 293.798 3.614 30 20 CHED CC(C)(C#N)CC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 335093686 RQTMCBLVJKKHJS-OAHLLOKOSA-N 284.403 3.926 30 20 CHED CN(C(=O)c1sccc1C1CC1)c1ccccc1C#N 335382735 FKXJRHIZBIZYPE-UHFFFAOYSA-N 282.368 3.774 30 20 CHED C[C@]1(CNc2cc(C#N)ccn2)C[C@@H]1c1ccccc1 338737344 BJBIPSUKEOMEEG-NVXWUHKLSA-N 263.344 3.559 30 20 CHED CC[C@H](C)[C@](C)(O)C/N=C(/O)c1ccoc1C(C)C 331095751 LRLFDRHEKMICAN-XHDPSFHLSA-N 267.369 3.505 30 20 CHED C[C@H]1CN(c2cccc(Cl)c2)CCN1CCCCC#N 519742057 QCJDAQSTRVNKRO-AWEZNQCLSA-N 291.826 3.544 30 20 CHED C[C@H]1OCCC[C@@H]1C(O)=Nc1ncc(-c2ccccc2)cn1 330139545 WJFYNALRYRFPGF-DOMZBBRYSA-N 297.358 3.547 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1S[C@H]1CC[C@H](C#N)C1 335231965 BSTDMNPVVYTPCX-WPRPVWTQSA-N 297.305 3.756 30 20 CHED Cc1nsc(Nc2ccc3ncsc3c2)c1C#N 236005799 WBQJRDNZVMDQHW-UHFFFAOYSA-N 272.358 3.677 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc2ccccc2n1)OCC 339424117 UAMWLQHWJUKIDP-HNNXBMFYSA-N 284.359 3.545 30 20 CHED C=C[C@](C)(CC)c1nc(C(C)(C)c2cc(C)ccn2)no1 528262735 MGMHHEVPENKFDN-QGZVFWFLSA-N 285.391 3.953 30 20 CHED Cc1cc(OCC(=O)c2ccc3c(c2)CCC3)ccc1C#N 434648048 JHSLPNSKUWEBLJ-UHFFFAOYSA-N 291.350 3.617 30 20 CHED C=CCOc1cccc(/C=C\c2ccncc2C#N)c1 349108017 KOXNTWVYEUPJPC-SREVYHEPSA-N 262.312 3.688 30 20 CHED CCC(CC)[C@H](CCNCc1cc(C#N)cs1)OC 344858950 SJGQDWHDQFAEPP-HNNXBMFYSA-N 280.437 3.551 30 20 CHED C#CC(C)(C)NC(=O)c1cccc(Oc2ccccc2)c1 248269750 PUCSWSHDJQBILM-UHFFFAOYSA-N 279.339 3.621 30 20 CHED Cc1nsc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1C#N 431479422 WFYRJNFCLLTSIB-AULYBMBSSA-N 287.363 3.820 30 20 CHED C[C@@H](NCc1ccccc1F)c1ccc(C#N)c(F)c1 346058095 AZIAXDCAMKKXJH-LLVKDONJSA-N 272.298 3.687 30 20 CHED CC(C)c1noc(CSCc2cccc(C#N)c2F)n1 340857543 ULQBIAMSSBBKSR-UHFFFAOYSA-N 291.351 3.637 30 20 CHED Cc1ccccc1C[C@@H](NCC1(CC#N)CC1)C1CC1 342594244 KTQIQENXXORMCG-QGZVFWFLSA-N 268.404 3.600 30 20 CHED CCCCOc1ccc(CCNc2ncccc2C#N)cc1 603863298 GJCTWKCMERZDSK-UHFFFAOYSA-N 295.386 3.787 30 20 CHED N#CCCc1cn(CC2CCC(c3ccccc3)CC2)nn1 603251262 SNSPOKASDRXWFM-UHFFFAOYSA-N 294.402 3.708 30 20 CHED C=CCC[C@H](NC(=O)COC1CCCC1)c1ccccc1 435293450 YXWVVRQVWIMYFN-KRWDZBQOSA-N 287.403 3.769 30 20 CHED N#CCCCCCC(=O)Nc1cscc1Cl 602223412 ZPBIERPXLXQLQA-UHFFFAOYSA-N 256.758 3.814 30 20 CHED CC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccc(C)cc1 340757692 VDUGQYTWQKBEKZ-QGZVFWFLSA-N 296.345 3.887 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 604532912 SFZMVFHLOITBPH-PBHICJAKSA-N 299.418 3.839 30 20 CHED N#Cc1ccccc1/C=C\c1nc(Cc2ccccc2)no1 255304046 JOCJIBPGCIWJLL-KHPPLWFESA-N 287.322 3.702 30 20 CHED CCc1ccccc1CSc1ccc(C#N)cn1 437621968 QPVMGHXEHKNKAB-UHFFFAOYSA-N 254.358 3.808 30 20 CHED CC(C)(C)c1nnc(SCc2ccc(CC#N)cc2)o1 342567235 MRBOOYWRPFEZDF-UHFFFAOYSA-N 287.388 3.725 30 20 CHED C=C(C)COc1cc(CN[C@H]2CC[C@@H](F)C2)ccc1OC 342273613 GOIJOVSCTBTBJD-CABCVRRESA-N 293.382 3.630 30 20 CHED CCCOc1ccc(NCc2cccc(C#N)c2)cc1 51785131 AWGYRXGIEPHQEG-UHFFFAOYSA-N 266.344 3.959 30 20 CHED C=CCCCCCN(C)C(=O)[C@@](C)(OC)c1ccccc1 606815767 BGOXBDOTCJHCPF-SFHVURJKSA-N 289.419 3.753 30 20 CHED C=CC[C@H]1N(C(=O)CC2(OC)CCC2)CCCC1(C)C 347450643 SQPJLRUQEVGNNT-CQSZACIVSA-N 279.424 3.539 30 20 CHED Fc1ccccc1C=NOCc1ccc(OC(F)F)cc1 255373265 BDQCEEPXGIYEFR-UHFFFAOYSA-N 295.260 3.978 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1ccc(Cl)c(F)c1 528928476 KUGFIFFXCDICIY-UHFFFAOYSA-N 296.773 3.767 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(CC#N)cc1 527702221 SJSPLLIHYXOEDS-HNNXBMFYSA-N 292.382 3.878 30 20 CHED N#Cc1c(CN2CCC[C@@H]3CCC[C@H]32)cn2ccccc12 441432720 FGWCDDHYOIOFND-WMLDXEAASA-N 279.387 3.575 30 20 CHED N#CCc1ccccc1C(=O)N[C@H]1CCCc2sccc21 601452484 UEFQNDQRPRYYAP-HNNXBMFYSA-N 296.395 3.622 30 20 CHED CC[C@@H](CN(CCC#N)Cc1ccccn1)c1ccccc1 353421076 YAYGNMFICQVAGP-KRWDZBQOSA-N 293.414 3.991 30 20 CHED C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)C(C)(C)C1 443508180 IIOMVPCFOGYRKH-VIFPVBQESA-N 283.297 3.597 30 20 CHED C[C@@H]1CCCN(C(C)(C)CNC2CCC(C)(C#N)CC2)C1 449094686 SXODXNAMONMHCC-KLHKWILBSA-N 291.483 3.559 30 20 CHED C=CC(C)(C)CNCc1ncc(C(C)(C)C)s1 449486619 TWDKNKPQBHMTQR-UHFFFAOYSA-N 252.427 3.742 30 20 CHED C[C@H]1CCCN([C@H](C)CNc2cc(Cl)ccc2C#N)C1 609891728 HLIVRVNMSGQYGW-QWHCGFSZSA-N 291.826 3.744 30 20 CHED C[C@H](CC(=O)N(C)CC(C)(C)C#N)c1c[nH]c2ccccc12 353296721 PNRLFUOOORSJFA-CYBMUJFWSA-N 297.402 3.670 30 20 CHED C=CCCOCCCCC(=O)N[C@H](C)c1ccc(C)cc1 539366886 XTYJLIUKRDMKJO-MRXNPFEDSA-N 289.419 3.935 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2ccc(OC)cc2[nH]1 537233371 WWCFPVUJKDVAKJ-LBPRGKRZSA-N 286.375 3.651 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1OC(F)F 265268534 FLHMHTJPRZXSFK-MNOVXSKESA-N 298.333 3.613 30 20 CHED C=CCOCCCSCc1cc(F)ccc1C#N 359136242 DUYQSJZNLNJHNC-UHFFFAOYSA-N 265.353 3.523 30 20 CHED C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 610364273 NVLQTVRRZQKABL-LBPRGKRZSA-N 298.773 3.632 30 20 CHED N#C[C@@H](NC(=O)c1cc2occc2s1)C1CCCCC1 610502364 YTBZZKVKVPOBKW-LLVKDONJSA-N 288.372 3.697 30 20 CHED CC1CCC(N(C)C(=O)NCC(C)(C)CCC#N)CC1 358734160 MNLKVLYXDPKOAD-UHFFFAOYSA-N 279.428 3.536 30 20 CHED CCc1ccc2occ(C(=O)[C@@H](C#N)c3ccccn3)c2c1 353521203 PPNUZNCIKHEQOG-AWEZNQCLSA-N 290.322 3.880 30 20 CHED C=C(CNCc1ncc(-c2ccccc2)[nH]1)c1ccccc1 447828359 DIEFOOKZTQIUJL-UHFFFAOYSA-N 289.382 3.880 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 617787729 VWPYGPRFAMBCPR-CQSZACIVSA-N 295.382 3.974 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](CC(F)(F)F)C(C)C 615005751 HQXVZTZUGBRPDU-CQSZACIVSA-N 284.325 3.933 30 20 CHED CC(C)(C)c1nc(C(=O)Oc2ccc(C#N)cc2)cs1 263712761 WVVIMELFSOVOBX-UHFFFAOYSA-N 286.356 3.531 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC[C@H](C)CC 352639656 LWECFUJWHPJLPI-CQSZACIVSA-N 266.429 3.991 30 20 CHED COCc1ccc([S@](=O)CCCCC(C)(C)C#N)cc1 618070189 QRWSQCWWQFYBOE-HXUWFJFHSA-N 293.432 3.661 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@](C)(CC)C1 538429980 QNVGFBGFLAVKNP-KRWDZBQOSA-N 281.440 3.788 30 20 CHED C[C@H](N[C@H](C)c1cncc(F)c1)c1cccc(C#N)c1 359216830 ADJYKPITESXCJD-NWDGAFQWSA-N 269.323 3.504 30 20 CHED C=CCN(Cc1cc(OC)c(OC)cc1SC)C1CC1 350266007 LZKUQNAYGPEKBM-UHFFFAOYSA-N 293.432 3.576 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(CC#N)cc1 533949694 SWFKWNBFQWPNTC-GOEBONIOSA-N 284.403 3.699 30 20 CHED C=CC(C)(C)CNC(=O)N(CC)CCc1cccs1 458991005 SGWJPXMWJNQQJN-UHFFFAOYSA-N 280.437 3.534 30 20 CHED C[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccsc1 610360060 QTJPCYANVHAOMT-NWDGAFQWSA-N 284.384 3.601 30 20 CHED CC[C@H](NC(=O)Nc1cccc(CC#N)c1)C1CCCC1 455905986 MSFPJLRJLMMXTJ-INIZCTEOSA-N 285.391 3.843 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)C1(C#N)CCCCC1 456323475 HNXOIBGEUHBMLI-GJZGRUSLSA-N 276.424 3.599 30 20 CHED N#Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1F 362295433 CREAJTUBNORWDO-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CCCc1nc(C)c(NC(=O)c2ccc(CC#N)cc2)s1 362519238 LYZOQEAOHMSRNA-UHFFFAOYSA-N 299.399 3.722 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1c1cccc(C#N)n1 450905935 CLHLYUPEVRGNST-MRXNPFEDSA-N 281.334 3.742 30 20 CHED C[C@@H](c1ccc2c(c1)CCC2)N(C)CC(C)(C)C#N 459492196 VVPFQZYZIVCTKQ-ZDUSSCGKSA-N 256.393 3.718 30 20 CHED CCCN(Cc1ccc(Cl)cc1C#N)CC(F)(F)F 614167000 WUXMZZZUXDRSHQ-UHFFFAOYSA-N 290.716 3.986 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1OC 361866762 BWGSYODCQAOUPR-QGZVFWFLSA-N 298.361 3.947 30 20 CHED N#CCc1cccc(NCCCOCCc2ccccc2)c1 453139994 FQWWNQYYYQHSOF-UHFFFAOYSA-N 294.398 3.814 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)CCCc1cccs1)CC2 270271289 SCBMIXKNVFECAY-UHFFFAOYSA-N 296.395 3.532 30 20 CHED C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@](C)(C#N)C1 612164463 AIVCZGDTAGRTFK-MLGOLLRUSA-N 275.396 3.659 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC(CC)C2)c1 454666997 IKRPZAOUZFQZSY-UHFFFAOYSA-N 274.364 3.515 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(C)[nH]c3ccccc23)C1 617789007 WUTOJYSBSZTMCD-AWEZNQCLSA-N 282.387 3.905 30 20 CHED Cc1cccc(OCCN(C)Cc2ccc(C#N)cc2C)c1 614395960 FIOAPZZOBUMXBH-UHFFFAOYSA-N 294.398 3.686 30 20 CHED C=CCCC(=O)N1CCn2c(cc3c(Cl)cccc32)C1 278406097 XYMWXZWRWRWEMH-UHFFFAOYSA-N 288.778 3.603 30 20 CHED COCCOc1ccc(C#N)cc1NC1CCC(C)CC1 544349469 ZATNKPMNYHMOTG-UHFFFAOYSA-N 288.391 3.574 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H](c2ccccc2)C1 455540891 POGVLMBPTIYDDP-MRXNPFEDSA-N 272.392 3.542 30 20 CHED C=CCCCc1nc(-c2ccc(NC(C)(C)C)cn2)no1 545131470 BXXJBMNVLCPUTQ-UHFFFAOYSA-N 286.379 3.851 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CCOC2(CCC2)C1)c1ccccc1 275073037 VPNKECUDKRWJHG-IRXDYDNUSA-N 299.414 3.564 30 20 CHED C=CCCC1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 361841937 IFMFVTHNIGSJGR-CQSZACIVSA-N 288.778 3.767 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 362962830 GNWVUYFHBRAFED-ZDUSSCGKSA-N 270.357 3.501 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2cc(C)ccc2OC)CC1 457931066 AKELGMBQIJFWGP-AWEZNQCLSA-N 287.403 3.927 30 20 CHED CC#CC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 277788583 UURSTMFMUUNCOZ-RHSMWYFYSA-N 285.387 3.744 30 20 CHED CCOC(=O)c1cccc(S[C@H]2CC[C@@H](C#N)C2)c1 450928936 HFBCSPQCOBIXMR-RISCZKNCSA-N 275.373 3.648 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 452780435 XPYVOPYQUIDSDT-ZIAGYGMSSA-N 277.795 3.772 30 20 CHED C=CCC1(NC[C@H](C)c2ccc(C)cc2)CCOCC1 628338308 HGOVXJBBWWDGMS-INIZCTEOSA-N 273.420 3.813 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 544398459 CSKFUVSVUBQCHX-UHFFFAOYSA-N 290.794 3.864 30 20 CHED Cc1ccccc1CCN[C@H](C)c1ccc(C#N)c(F)c1 540705504 KZLVNEIFHNQLLQ-CQSZACIVSA-N 282.362 3.899 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1c(C)oc2ccccc12 467922248 VPGGVFOKNDLSEQ-KRWDZBQOSA-N 271.360 3.960 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)/C=C/c1ccc2[nH]ccc2c1 274305979 HDVZWYMJGXILMI-IWHGQQBYSA-N 295.386 3.626 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](CC)CC=C 466396327 OURSJOCXWGISNA-AWEZNQCLSA-N 252.402 3.729 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(CC(C)C)CCC1 467993314 HOQMYNOBFHPUHG-OAHLLOKOSA-N 251.414 3.921 30 20 CHED C#CCCOc1ccc(CNC[C@@H]2CCC(F)(F)C2)cc1 281726661 QUYSCNUQFSPZNW-OAHLLOKOSA-N 293.357 3.614 30 20 CHED CCSCCC/N=C/c1cc2ccccc2nc1O 283772980 JQBXJWDMVKSFLI-LFIBNONCSA-N 274.389 3.503 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C)c(C(=O)OCC)s1 467852933 QRCFNWTTZFDKKV-OAHLLOKOSA-N 295.404 3.774 30 20 CHED C=CCNC(=O)[C@H](C)SCC[C@@H]1CCC[C@@H](C)C1 465460064 STFUGWZBDABVLZ-RDBSUJKOSA-N 269.454 3.627 30 20 CHED C=CC[C@H](CC)NCc1cc2cc(OC)ccc2o1 466385632 HWXSKDDWWFEOOB-ZDUSSCGKSA-N 259.349 3.886 30 20 CHED C=CCc1ccc(OC(=O)OCC(F)(F)F)c(OC)c1 283944219 QZRUOLQQKCYQAN-UHFFFAOYSA-N 290.237 3.501 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](CC)Oc1ccccc1Cl 466533903 KYQPCOHVVQETCE-OCCSQVGLSA-N 295.810 3.968 30 20 CHED CN(CCc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1)C1CC1 463234548 CQJFMJRXYWISAH-AEFFLSMTSA-N 297.446 3.818 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)o1 280420887 ZCRDTORBXGCVPE-DZGCQCFKSA-N 284.334 3.716 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C=C)c1ccccc1 281129110 TZHYQUKGEKQVTD-ZBFHGGJFSA-N 257.377 3.817 30 20 CHED CC(C)[C@@H](CNC(=O)C(C)(C)C#N)c1ccc(Cl)cc1 286474868 ORZHAEZUGXOXKC-CQSZACIVSA-N 292.810 3.746 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCSC1)c1ccco1 287303548 DQSLAHNTYGUAJE-QWHCGFSZSA-N 251.395 3.630 30 20 CHED CO[C@H](C1CC1)[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 388359436 RYTSFGUBSZIDQG-XPTSAGLGSA-N 298.308 3.802 30 20 CHED C=C(C)COc1cccc(NC2CCN(C3CC3)CC2)c1 298218567 AEQZBWLQQYZTSY-UHFFFAOYSA-N 286.419 3.680 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C 473842138 IIEBYHUYLJXASI-GJZGRUSLSA-N 293.451 3.833 30 20 CHED C[C@H](C#N)OCCN(Cc1ccsc1)c1ccccc1 801931654 KYBIYRDBHSUQSP-CQSZACIVSA-N 286.400 3.683 30 20 CHED C[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1C#N 383356400 QMRMCVRKOMPDNZ-QMTHXVAHSA-N 293.208 3.599 30 20 CHED CCSc1ccc(Cl)cc1NCCO[C@H](C)C#N 802742097 AHKHFNJGYJEAAH-SNVBAGLBSA-N 284.812 3.793 30 20 CHED Cc1cc(OC(=O)C2(C)CCC2)c(C)c(C)c1C#N 809036676 RGDAPUABTPFSGU-UHFFFAOYSA-N 257.333 3.579 30 20 CHED CC[C@H](C#N)N[C@H](Cc1ccccc1)c1ccc(OC)cc1 290461641 FOHFWXSOEKHCLR-IEBWSBKVSA-N 294.398 3.871 30 20 CHED Cn1cc(/C=C2/CCc3sccc3C2=O)c(C(F)F)n1 291693106 XSZJLFFXSUXTEZ-VURMDHGXSA-N 294.326 3.632 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)OCCCC 470647639 ZHHDXEZCCBUFLF-INIZCTEOSA-N 289.419 3.797 30 20 CHED CCCc1ccc([C@H](NCCO[C@@H](C)C#N)C(C)C)cc1 801929831 VNRUOHQYEXXBKX-MAUKXSAKSA-N 288.435 3.854 30 20 CHED C[C@@H](C#N)OCCN[C@@H](c1ccccc1)C1CCCCC1 801935482 FSQXWXDSEALWSR-YJBOKZPZSA-N 286.419 3.826 30 20 CHED N#CCCCCCC(=O)N1Cc2cccc(Cl)c2C1 805271085 ZTLOJYCNKXITDO-UHFFFAOYSA-N 276.767 3.656 30 20 CHED N#Cc1cc(N2CCC[C@@H]2c2ccc(Cl)cc2)ccn1 561141920 GOXZFHPBVXIOPC-MRXNPFEDSA-N 283.762 3.948 30 20 CHED C[C@H](O)CCc1ccc(OCc2ccc(CC#N)cc2)cc1 398991256 LCMMJLDYYNXYJZ-HNNXBMFYSA-N 295.382 3.645 30 20 CHED COc1ccc(/C=C2/C(=O)c3ccccc3[C@H]2C)cc1C#N 809157051 QBEFRVDMWKZMON-YXHQGMJNSA-N 289.334 3.950 30 20 CHED C=CCC(F)(F)c1nc(-c2cc(C)c(O)c(C)c2)no1 293161166 LMWIUFKDRSRBMA-UHFFFAOYSA-N 280.274 3.727 30 20 CHED N#C[C@@]1(C(=O)Oc2cc(F)ccc2Cl)CC12CCCC2 297845591 RPBOLFMNJXNEJW-OAHLLOKOSA-N 293.725 3.859 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1c(CC)oc2ccccc12 472747885 JQJQWTPADUWOJB-CQSZACIVSA-N 287.403 3.754 30 20 CHED N#CC1(COC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCC1 802765912 RTDXEZMYVHPMGB-RRFJBIMHSA-N 275.392 3.830 30 20 CHED C=CCCOCc1nc(-c2ccc(Cl)cc2F)no1 645607292 JXKFHPSEFULYRL-UHFFFAOYSA-N 282.702 3.622 30 20 CHED C#CCC(C)(C)c1nc(Cc2cc(C)cc(C)c2)no1 809293374 VGRJBNDLOWUIEE-UHFFFAOYSA-N 268.360 3.578 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@H](C)CCC 807571866 RGQFIQBLKFJZSO-CQSZACIVSA-N 254.418 3.953 30 20 CHED CSC1(C=NOc2ccccc2C(F)(F)F)CC1 800815136 MYYDJHCCLVWZMW-UHFFFAOYSA-N 275.295 3.966 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccnn1[C@H](C)CC(C)C 481490343 JMNXADZYNOZXNE-CQSZACIVSA-N 290.411 3.696 30 20 CHED C=CCC(C)(C)CN[C@@H]1CC[C@@H]2SCCS[C@@H]21 815636770 BOBNHJVEOUJEBE-FRRDWIJNSA-N 271.495 3.558 30 20 CHED O[C@@H]1CCC[C@H]1NN=C1CCCC[C@H]1C1=CCCCC1 817337634 QXCLTTUDDAGMHQ-USXIJHARSA-N 276.424 3.536 30 20 CHED Cc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1N(C)C 815009986 OAVGDJMUBZEREN-UHFFFAOYSA-N 293.414 3.565 30 20 CHED CCOc1ccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 814984963 NIXHFDLPGCKLMN-IHRRRGAJSA-N 258.365 3.919 30 20 CHED C=CCCCCCN[C@H](CC(=O)N(C)C)c1ccccc1 488149591 MGAHTCKBXPACKR-QGZVFWFLSA-N 288.435 3.542 30 20 CHED CC(CCCO)=NN=C1c2ccccc2-c2ccccc21 814779104 FSZUMNSHBURUDB-UHFFFAOYSA-N 278.355 3.653 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)N2CCC(CCC#N)CC2)C1 573115080 IHLKTAMEWLYGTJ-GDBMZVCRSA-N 291.439 3.538 30 20 CHED N#CC[C@H](CC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 570214693 AXGNTZXFIPXXPC-KSZLIROESA-N 296.414 3.865 30 20 CHED C=C(C)COC(=O)c1c(F)cc(C(F)(F)F)cc1F 811418085 DXPZPSVRTSBMMJ-UHFFFAOYSA-N 280.192 3.717 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccncc2)c(C)n1C1CC1 819814857 GKUKHQVXXQXCRZ-ZDUSSCGKSA-N 282.391 3.520 30 20 CHED C#Cc1cccc(NC(=O)CCCOc2cccc(C)c2)c1 817840567 DWRUWRSTXXDGMM-UHFFFAOYSA-N 293.366 3.774 30 20 CHED c1ccc([C@H]2CCC(=NNC[C@H]3CCSC3)C2)cc1 814935342 KUDMIBJHKINQAR-HIFRSBDPSA-N 274.433 3.653 30 20 CHED C[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(C#N)s1 816224230 CGEGLVOHDGMKGQ-SCVCMEIPSA-N 263.362 3.601 30 20 CHED CSCc1cnc(C=NNCC2(C)CCCC2)s1 814937935 RVPQKAPWALDOFS-UHFFFAOYSA-N 283.466 3.510 30 20 CHED Fc1ccc2c(c1)CCCC2=NOC/C=C/Cl 811668871 USAYGBNVBMAQAL-DJELVZJCSA-N 253.704 3.635 30 20 CHED CON=C(C)c1sc(-c2ccccc2F)nc1C 814795947 PZRCPKXIZCDVQW-UHFFFAOYSA-N 264.325 3.628 30 20 CHED COc1cccc(NN=C(C)c2nc(C)sc2C)c1 725855398 SJFWAKQGMKELNO-UHFFFAOYSA-N 275.377 3.605 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3ccccc3)c2c1 488257135 BFYJHMJBMSDKCX-UHFFFAOYSA-N 274.323 3.994 30 20 CHED COc1ccc(F)cc1C=NNc1ccc(Cl)cc1 812223511 YQWQMJYOHGLNHB-UHFFFAOYSA-N 278.714 3.934 30 20 CHED COCC(C)(C)CNc1cc(C#N)ccc1C(F)(F)F 488672843 IGWQZRNTPGRIDE-UHFFFAOYSA-N 286.297 3.662 30 20 CHED CSc1ccc(C=NNc2cc(Cl)nc(C)n2)s1 814855611 PPAPUWVKRSFRLT-UHFFFAOYSA-N 298.824 3.668 30 20 CHED CCc1ccc(CN(C)Cc2ccc(OCC#N)cc2)cc1 729266853 OTENXOHVIWNECC-UHFFFAOYSA-N 294.398 3.783 30 20 CHED C=CCCn1cc(CNc2ccc(C(C)C)cc2)nn1 656115575 OIQVTVPLYPSXLJ-UHFFFAOYSA-N 270.380 3.590 30 20 CHED N#CC1(CNC(=O)c2ccc(Cl)c3occc23)CCC1 822967869 TURBXBYCQAVAID-UHFFFAOYSA-N 288.734 3.510 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCC1(C#N)CC1 577458181 WBSQJELFTFVCSI-VXGBXAGGSA-N 262.784 3.725 30 20 CHED Clc1cccc(C=NNCCCOc2ccccc2)c1 729149543 LJANZOPXFDDKIK-UHFFFAOYSA-N 288.778 3.733 30 20 CHED CC#CCCCC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 576950478 GJAKXYXJPYGJAK-HDJSIYSDSA-N 289.806 3.896 30 20 CHED C=CCCNC(=O)N[C@@H](C)c1ccc(SCC)cc1 660568216 LTTIHWRJUUFVEG-LBPRGKRZSA-N 278.421 3.735 30 20 CHED C[C@H](OC(=O)c1scnc1Cl)c1cccc(C#N)c1 727635790 OUZXEHKVFCFURW-QMMMGPOBSA-N 292.747 3.586 30 20 CHED C=CC[C@@H](NC(=O)N1CC[C@@H](C)C[C@H]1C)c1ccncc1 824337676 MCXRNUWCOSAQGW-IIAWOOMASA-N 287.407 3.529 30 20 CHED CCOc1cccc(/C=N/Cc2cc(F)ccc2F)c1O 729641575 OCMGFNPWQHGRGC-DJKKODMXSA-N 291.297 3.688 30 20 CHED C=C(CC)CN[C@@H](C)c1nc(C(F)(F)F)cs1 490060133 UYIIDBNSQZNLAI-QMMMGPOBSA-N 264.316 3.779 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1ccc2c(c1)CCCC2 580864218 IBXJDTIEBFRCRC-KDOFPFPSSA-N 273.420 3.543 30 20 CHED CS[C@@H](C)CCC(=O)N(O)Cc1ccccc1Cl 904190372 KXCGACYJRMHGGB-JTQLQIEISA-N 287.812 3.590 30 20 CHED CC(C)(C)Oc1ccc(NCC[C@H]2CCOC2)cc1C#N 824722628 VCDJBYGDFWAZHI-ZDUSSCGKSA-N 288.391 3.574 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccnc(Cl)c2C)C1 823454939 PDTUHKWMZGSCSP-LBPRGKRZSA-N 293.798 3.863 30 20 CHED Cc1ccc2c(CCNC(=O)CCCCCC#N)c[nH]c2c1 588154910 GCGRVUMRLFEAAQ-UHFFFAOYSA-N 297.402 3.609 30 20 CHED CC[C@H](NC[C@]1(C)CCO[C@@H]1C1CC1)c1cccc(C#N)c1 902957166 QXHNMKNJTGCMOD-OTWHNJEPSA-N 298.430 3.804 30 20 CHED CCC(CC)NN=Cc1csc(Br)c1 734366182 HMUXOZYBAQCFOG-UHFFFAOYSA-N 275.215 3.623 30 20 CHED C#CCCCCCC(=O)Nc1cc(Cl)cc(C(=O)O)c1 833361850 OVYOMESVBXQUAE-UHFFFAOYSA-N 293.750 3.560 30 20 CHED C=C(C)CN(C)Cc1ccc(F)c(C(F)(F)F)c1 497263989 VJOCSJOJFXVUJD-UHFFFAOYSA-N 261.262 3.852 30 20 CHED C=C(C)CN(C)CCCc1cc(-c2ccc(F)cc2)no1 585764007 NHGVOOLZGVYGCP-UHFFFAOYSA-N 288.366 3.921 30 20 CHED C#CCCCCC(=O)OCc1cnc2ccc(C)cc2c1 836106066 KMAIVSQAOWETAW-UHFFFAOYSA-N 281.355 3.780 30 20 CHED Cc1cc([C@@H](NC(=O)C#CC(C)(C)C)C2CC2)ccc1F 837496444 AHWRUANBPNEBJQ-KRWDZBQOSA-N 287.378 3.751 30 20 CHED O=c1[nH]ccc2cc(NN=C3CCCC34CCC4)ccc12 834977546 UMUSTERYLHSSSS-UHFFFAOYSA-N 281.359 3.650 30 20 CHED CCN(C(=O)CCCCCC#N)c1cccc(OC)c1 588752838 OQCHMALMFUNRDU-UHFFFAOYSA-N 274.364 3.522 30 20 CHED C[C@H]1CC(/N=C\c2cc([N+](=O)[O-])ccc2O)C[C@H](C)C1 739426361 KMNIKXLAHOSRIV-UXZOXPIXSA-N 276.336 3.544 30 20 CHED CCc1ccc(C=NNc2cnnc3ccccc23)cc1 733750124 MXDLHBQNPXBXRG-UHFFFAOYSA-N 276.343 3.638 30 20 CHED C=C[C@H](OC(=O)[C@H]1CC12CCSCC2)C(C)(C)C 835392069 VXDFCNVNXPAAQD-NEPJUHHUSA-N 268.422 3.664 30 20 CHED Cc1cccc(C=NNc2ccc(Cl)nc2)c1C 743451321 CWKPRKKMUYUXSH-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CCCCCCCC(=O)OCc1noc2c1CCCC2 731241998 KNQFTRDLRXCJOX-UHFFFAOYSA-N 279.380 3.957 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C1(C#N)CCC1 736006496 NUDOXVJZOXECSQ-ZIAGYGMSSA-N 276.424 3.649 30 20 CHED c1nc(NN=C2CC3(CCCC3)C2)c2ccsc2n1 901156028 URPUCWCUEGXTGR-UHFFFAOYSA-N 272.377 3.813 30 20 CHED CN=[S@](C)(=O)c1cccc(NCCCC(C)(C)C#N)c1 902143386 QWFZODQARVNSAP-HXUWFJFHSA-N 293.436 3.515 30 20 CHED Cc1cc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)cs1 834447324 KEQYMKRJYWNERV-WAYWQWQTSA-N 274.389 3.973 30 20 CHED CO[C@@H](C=NOC1CCCCC1)Cc1ccccc1 834973212 UHEOUVJARBEHCM-MRXNPFEDSA-N 261.365 3.579 30 20 CHED C=CC[C@H](NC(=O)C1=CCC(C)(C)CC1)c1ccncc1 836698486 IFDMGTBRYRSFLD-INIZCTEOSA-N 284.403 3.952 30 20 CHED C=CC[C@@H](NC(=O)c1cc(C)ccc1F)c1ccncc1 734457544 LIWHHYAHIGIQRT-MRXNPFEDSA-N 284.334 3.576 30 20 CHED Cc1cc(O)c(CN(CCC#N)C(C)C)cc1C(C)C 739842120 WHJQVXURZZZMDO-UHFFFAOYSA-N 274.408 3.948 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1ccc(C#N)cn1 581569886 WHGNRDJVXJLIQH-OCCSQVGLSA-N 257.381 3.604 30 20 CHED CC(=NNc1nncc2ccccc12)C1CCCC1 733077576 CROGRRVXMFHPPU-UHFFFAOYSA-N 254.337 3.608 30 20 CHED CCC(C[C@H](C)CC)=NNc1nccnc1Cl 733079604 OQSTZMPQVYHDSV-SECBINFHSA-N 254.765 3.744 30 20 CHED CC1(C)OCC[C@H]1NN=C1CCC2(CCCC2)CC1 835021698 QPSQQJSSGOKDFF-CQSZACIVSA-N 264.413 3.634 30 20 CHED C=COc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 837765851 YHCRTNMVRIKUFJ-QGZVFWFLSA-N 282.343 3.621 30 20 CHED CCc1nc(C)c([C@H](C)NCCc2ccc(C#N)cc2)s1 595055890 MAHKSRHLXDPZCP-LBPRGKRZSA-N 299.443 3.779 30 20 CHED Cc1sc(NC(=O)c2cccc(CC#N)c2)nc1C(C)C 597893608 DYXQZDSEVPSXKS-UHFFFAOYSA-N 299.399 3.893 30 20 CHED COc1ccc(O)c(/C=N\CC2(c3ccccc3)CCC2)c1 839388676 LSGHYWCWPRRYBL-MOSHPQCFSA-N 295.382 3.942 30 20 CHED COc1ccc(CN(C)CCc2ccc(C#N)cc2)cc1C 595303723 CDLFTYDTMWANPI-UHFFFAOYSA-N 294.398 3.550 30 20 CHED C/C(=C\C(=O)N(CCC#N)CCC(C)C)C(C)(C)C 742639421 ZNGPYFXQCPMRCT-WYMLVPIESA-N 264.413 3.767 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC1(SC)CCN(C)CC1 595053156 WEIHYPSZXYRVMX-HZPDHXFCSA-N 296.524 3.538 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc[nH]1 840332783 DERQEGRGWBRTNO-GDBMZVCRSA-N 297.402 3.562 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ncc(-c2ccc(C)cc2C)s1 593614229 WCMQSJDSMVJCKI-LBPRGKRZSA-N 299.399 3.915 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)/C=C\c1ccco1 919864742 WCZRZXMKSAWXPX-VURMDHGXSA-N 296.326 3.590 30 20 CHED C=C(CNC(=O)[C@H](C)Cc1ccccc1F)c1ccccc1 672479318 LLOCTWOAICWXDI-CQSZACIVSA-N 297.373 3.834 30 20 CHED COc1ccnc(NN=CC[C@H](C)CCC=C(C)C)n1 914696477 DYVAQHWAXIEGKJ-CYBMUJFWSA-N 276.384 3.656 30 20 CHED CC(=NNC(=S)Nc1cccc(C)c1C)c1ccco1 915912857 YZBXTDVJIHNYEK-UHFFFAOYSA-N 287.388 3.607 30 20 CHED C[C@H]1CCC(=NNc2ccc(CC(=O)O)cc2)[C@@H](C)C1 848414892 SZHQQFUOLGVZGE-RYUDHWBXSA-N 274.364 3.538 30 20 CHED Cc1ccccc1/C=C1\CCc2c(O)cccc2C1=O 742435838 ZJNRQCRBXOQRSM-SDNWHVSQSA-N 264.324 3.913 30 20 CHED CC1CCC(=CC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 749016128 SFHNRRLWFSPOAS-UHFFFAOYSA-N 294.398 3.800 30 20 CHED Cc1cc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)c(C)o1 598884890 ARRZWRFANFQUAE-UHFFFAOYSA-N 294.354 3.967 30 20 CHED N#CCCOCCN1Cc2ccccc2-c2ccccc21 590166121 WEDFPHHBGWGGSK-UHFFFAOYSA-N 278.355 3.604 30 20 CHED N#Cc1cccc(NN=C2CCc3cc(Cl)ccc32)c1 743433508 IRANOZQUWFCTEF-UHFFFAOYSA-N 281.746 3.974 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc2cc(Cl)ccc2s1 597143243 GBJVTYIKNTVGGQ-VIFPVBQESA-N 292.791 3.929 30 20 CHED CCC(C)(C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 745952224 QAEIGQOLUKXPRX-GFCCVEGCSA-N 283.375 3.874 30 20 CHED CCOc1ccc(CNCc2cccc(C#N)c2)c(C)c1 594916008 ZYGZWUUGUCZSQE-UHFFFAOYSA-N 280.371 3.555 30 20 CHED CC(C)c1csc(Sc2ncc(C#N)cc2F)n1 593496928 YDOFPHAIIAGNAZ-UHFFFAOYSA-N 279.365 3.823 30 20 CHED C=C(C)COC(=O)[C@H](C)CCc1ccccc1F 744040938 VRRWLCMLTQCENW-GFCCVEGCSA-N 250.313 3.514 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1ccsc1 749098698 GNDJBCOCNBSZKG-UHFFFAOYSA-N 285.294 3.998 30 20 CHED C[C@H](CCC#N)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 599516431 UDCKAZFNQCGXFG-TZMCWYRMSA-N 278.346 3.836 30 20 CHED Cc1ccccc1-c1nnc(SCC2(CC#N)CC2)o1 594884143 VQBUJAJMVZVYDH-UHFFFAOYSA-N 285.372 3.831 30 20 CHED C=CCN(C(=O)[C@@H](SC)c1ccccc1)C(C)C 841045448 VSKQJZIUTZFOKL-AWEZNQCLSA-N 263.406 3.514 30 20 CHED CCOc1ccccc1C=NNc1ccc(Cl)nc1 743450217 NGESDUOFVWWBHR-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(=NNCc1ccc(-c2ccccc2)cc1)[C@@H]1CCOC1 748085800 NUEGMCBDSYQXLT-LJQANCHMSA-N 294.398 3.856 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)COc2ccc(F)cc21 749005455 KBQRSXNRABCNIV-YHYXMXQVSA-N 289.693 3.533 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@H](C)CC(C)C 741643167 QPRMPUYPWKOZLJ-CYBMUJFWSA-N 291.366 3.849 30 20 CHED C=CCC[C@H](CC)NCCc1nc2c(s1)CCC2 926933524 FPXCHRYITRPJFY-LBPRGKRZSA-N 264.438 3.509 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1[C@H](C)c1ccccc1 928384634 LLBKNOVYFQOBIV-SJLPKXTDSA-N 283.415 3.975 30 20 CHED C/C(=C/c1ccco1)C(=O)O[C@H](C)CC(C)(C)C#N 851205995 NLESTLSERTUTHI-NXIHDVOMSA-N 261.321 3.554 30 20 CHED COCC(C)(C)C=NNc1cccc(C(F)(F)F)c1 754901838 SWHSJRIIUKGCQL-UHFFFAOYSA-N 274.286 3.776 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCOC[C@@H](C)C1 754576565 DFSBTEUAJYDYAY-HOTGVXAUSA-N 298.471 3.661 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H](CSC)C1 858113693 ONAPCXKAQLGPPO-AWEZNQCLSA-N 286.485 3.741 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N(C1CC1)[C@H](C)C#N 855582368 GLORKPOYYVMWKJ-NXIHDVOMSA-N 288.778 3.646 30 20 CHED CCC(=NNc1cc(F)cc(OC)c1)c1ccc(O)cc1 759209976 LJYIYNQUMGZCCP-UHFFFAOYSA-N 288.322 3.766 30 20 CHED C=C[C@@H](OC(=O)CCCCSC)c1ccccc1 851451188 FAZLXYFQMUVFBR-CQSZACIVSA-N 264.390 3.990 30 20 CHED Cn1cc(C(=O)/C=C/c2ccccc2-c2ccccc2)cn1 920834044 UIFOTHLPGQOBSI-VAWYXSNFSA-N 288.350 3.983 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@]1(C)CC1(Cl)Cl 856374722 GFDSGKURSZHADV-GFCCVEGCSA-N 278.223 3.821 30 20 CHED CCCCCCCNC(=O)Nc1cccc(OC)c1 758194787 WBNMVHRUSGUMMP-UHFFFAOYSA-N 264.369 3.787 30 20 CHED O=[N+]([O-])c1ccc(NN=CC2CCSCC2)c(Cl)c1 853302376 XZXNBVLUCHQIEB-UHFFFAOYSA-N 299.783 3.789 30 20 CHED CCCCCCCCNC(=O)N(CC)C[C@@H]1CCCO1 755075667 OQIIHIAZAULXNQ-HNNXBMFYSA-N 284.444 3.557 30 20 CHED CC(=NOCc1ncnn1C(C)C)c1cc2ccccc2o1 853643934 WHFBYLAHAVNSKL-UHFFFAOYSA-N 298.346 3.546 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1cc(F)cc(F)c1O 757472541 KBCZJIKPLVYHKH-SNAWJCMRSA-N 278.229 3.706 30 20 CHED C#CC(C)(C)NC(=O)Cc1cc2c(ccc3ccccc32)o1 753584526 SJVBYMZSFZTNEI-UHFFFAOYSA-N 291.350 3.657 30 20 CHED N#CC1(CCCCN2CCC(OC3CCC3)CC2)CCC1 930741457 BEVAXCBNFQHOFR-UHFFFAOYSA-N 290.451 3.884 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)Nc1sccc1C#N 931837472 ILEUEEGUAUAATK-LBPRGKRZSA-N 277.393 3.662 30 20 CHED C#CCCc1noc(Cc2ccc(C(C)(C)C)cc2)n1 762014445 NZHFLJLBELLTJZ-UHFFFAOYSA-N 268.360 3.524 30 20 CHED C[C@@H](CCc1ccc(O)cc1)NCc1cc(C#N)ccc1F 768519106 XYJRYPVZBCGXDD-ZDUSSCGKSA-N 298.361 3.514 30 20 CHED C=CCN(C(=O)Nc1ccc(C(F)F)cc1)[C@@H](C)COC 933094536 RXGPEQBNBXIMKI-NSHDSACASA-N 298.333 3.679 30 20 CHED CCCCCCCCCC(=O)N1CC[C@](C)(C(=O)OC)C1 760042126 FEIFFHLEHLGKGN-KRWDZBQOSA-N 297.439 3.539 30 20 CHED C#CCCc1noc(-c2ccc(C(C)(C)C)cc2)n1 762001170 MUJYDBMJTDNTTR-UHFFFAOYSA-N 254.333 3.600 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N(CC#N)c1ccccn1 1119479395 BLGWLOJYMYPSNX-CQSZACIVSA-N 285.391 3.545 30 20 CHED C#C[C@@H](C)N(C)Cc1c(-c2ccccc2)nc2sccn12 766857185 ZFWGFVLKIQJVOY-CYBMUJFWSA-N 295.411 3.516 30 20 CHED C=CCc1ccc(OCC(=O)OC(CC)CC)c(OC)c1 762108339 KZKZJWHNQHWVHA-UHFFFAOYSA-N 292.375 3.534 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1cc(C#N)cc(Cl)n1 768381465 HEXLZMLWSHVJJX-NSHDSACASA-N 276.771 3.831 30 20 CHED Clc1ccc(NN=CCCC2CCOCC2)cc1 764892636 XQLAZQPDWZGLSJ-UHFFFAOYSA-N 266.772 3.945 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(F)ccc2O)cnc1Cl 760263934 IDARACPEXOBTMC-DUXPYHPUSA-N 291.709 3.784 30 20 CHED Cc1cc(C)nc(NN=CC2CCC(C)(C)CC2)n1 764639513 HRQLZVSCNDVDRZ-UHFFFAOYSA-N 260.385 3.708 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1ccccc1CC(F)(F)F 878816416 PSRMFVJSKFQVDV-CQSZACIVSA-N 298.308 3.715 30 20 CHED CCC(=NNc1ccc(F)cc1OC)c1ccc(C#N)cc1 773072508 GSAPVTVGKUNEJY-UHFFFAOYSA-N 297.333 3.932 30 20 CHED C=CCCC[C@H](C)NC(=O)/C=C\c1cccc(F)c1 775926532 YGCSSEOGJFAZSY-OEYXZAGESA-N 261.340 3.700 30 20 CHED C[C@H](CCC#N)CN[C@H]1CC2(CCC2)Oc2ccccc21 877095182 PFAWZTAKTOFMTK-ZBFHGGJFSA-N 284.403 3.962 30 20 CHED Cc1ccnc(NN=Cc2cscc2Cl)c1 771878810 MYAMSXLXQRYMPB-UHFFFAOYSA-N 251.742 3.551 30 20 CHED N#C[C@H](OC(=O)/C=C\c1ccccc1F)C1CCCCC1 776363702 GFBWZCXGRPCJKK-SNGWPZLWSA-N 287.334 3.855 30 20 CHED O=C(/C=C\c1cscc1Cl)c1ccc(O)cc1O 771858733 KOBXYRGTSNRHQZ-RJRFIUFISA-N 280.732 3.709 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)c1 770569772 URIHLMHTUNGQRG-VURMDHGXSA-N 281.286 3.602 30 20 CHED CCOc1cccc([C@@H]2C[C@H]2/N=C/c2ccccc2O)c1 775630995 OSGQDBWMVGOPPW-LJNFXEMMSA-N 281.355 3.766 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NOCCC(F)(F)F)o1 777460648 QLJPBWGRSCZQEC-SCZZXKLOSA-N 261.243 3.706 30 20 CHED CC[C@@H](C)Oc1cc(C/N=C/c2ccccc2O)ccn1 776725407 LYJSVBNWTABTMW-RNEAKCBISA-N 284.359 3.584 30 20 CHED C#C[C@@H](C)NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 772962267 LOSXALGZIHSSDN-APWZRJJASA-N 291.394 3.541 30 20 CHED Cc1cccc(F)c1CN[C@@H](C)c1cccc(C#N)c1 776162682 IVWZZKUTPZWHJW-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C=C(CN[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 776157504 CBTNNNKLOPNHLD-INIZCTEOSA-N 292.382 3.953 30 20 CHED C=C(CC)COC(=O)[C@@H]1CCSc2ccccc21 773519965 BSCOUYMOWVENGI-CYBMUJFWSA-N 262.374 3.775 30 20 CHED N#CCc1ccc(COC(=O)CC2=CCCCC2)cc1 776106884 HRXYRZYXVVOTRC-UHFFFAOYSA-N 269.344 3.686 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1nc(-c2ccncc2)no1 773206647 ICEGSOXYZRYMHP-TZMCWYRMSA-N 297.362 3.522 30 20 CHED C#CCCCCCC(=O)NCCCCC(C)(C)C 779905004 OVGOJRQNOWNQAK-UHFFFAOYSA-N 251.414 3.903 30 20 CHED Cc1ccc(CN(C)C(=O)[C@H](CC#N)c2ccccc2)s1 1125774573 KTPKUXJHFRUFDX-MRXNPFEDSA-N 298.411 3.712 30 20 CHED Clc1ccc2c(c1)C(=NOC[C@H]1CCOC1)CCS2 788033534 IWAJXIIZZNHUQV-JTQLQIEISA-N 297.807 3.593 30 20 CHED CCCCCOc1ccc(C=NOC[C@@H]2CCOC2)cc1 788039245 PXYYIELWBKVFHF-MRXNPFEDSA-N 291.391 3.643 30 20 CHED CC1(C(=O)OCc2ccc(OCC#N)cc2)CCCCC1 781266783 ALBHVZYOCJJXAS-UHFFFAOYSA-N 287.359 3.603 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)c(O)cc1Cl 885682855 WWTADZRTAIINCL-MRVPVSSYSA-N 271.719 3.726 30 20 CHED C[C@@H](CC(=O)OCc1ccc(Cl)cc1C#N)C1CC1 780038200 ZGJUCQLOEGKFLL-JTQLQIEISA-N 277.751 3.691 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)CCCC(C)=O)c1cccs1 1123010155 PAAPIBBSLDITOZ-SWLSCSKDSA-N 293.388 3.641 30 20 CHED CC(C)n1cccc1C(=O)OCCCC(C)(C)C#N 784454803 QSZPUBJWJQCPRF-UHFFFAOYSA-N 262.353 3.556 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(C(=O)O)cc1Cl 783708701 DHJXGUGFOXHEIT-PLNGDYQASA-N 290.702 3.836 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNc1ccc(Cl)nn1 785450780 HSNZDOMGOBHXDA-GHMZBOCLSA-N 280.803 3.990 30 20 CHED CC(C)(CCC#N)CNCCCOCc1ccccc1 390110976 WXTMUDSGJOVJCE-UHFFFAOYSA-N 274.408 3.513 30 20 CHED N#Cc1nc(N[C@H](c2ccccn2)C2CC2)ccc1Cl 895793791 PPQBZAMYEZSBJF-HNNXBMFYSA-N 284.750 3.565 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc2cnccc2c1 782287197 LAEZIYPUGACCHT-MRXNPFEDSA-N 267.376 3.737 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccnc(Cl)c1 782353179 YTULFACJELUHAG-ARJAWSKDSA-N 290.775 3.965 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)Cc1ccsc1 780033974 GDGSTFDSHYHRCH-UHFFFAOYSA-N 291.759 3.559 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1occc1Br 782289700 WWTTYNULZNKDAT-NSHDSACASA-N 285.185 3.544 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C(F)=C1CCCC1 781034497 LXZQAJAKVNGUDD-LLVKDONJSA-N 288.322 3.714 30 20 CHED CCC(=NNc1ccnc(F)c1)c1ccc(N(C)C)cc1 781134286 ZTPFJRLUVHYPFH-UHFFFAOYSA-N 286.354 3.513 30 20 CHED C=C1CC(c2noc([C@@H]3[C@H]4Cc5ccccc5[C@@H]43)n2)C1 896873848 HBAQGAFROURIPW-SOUVJXGZSA-N 264.328 3.557 30 20 CHED C=CCCCOc1ccc(F)cc1Br 70592609 UUXRCAURAAYSSP-UHFFFAOYSA-N 259.118 3.933 30 20 CHED Fc1cccnc1NN=Cc1ccc(C(F)(F)F)cc1 794990297 KYTGXAICRWWDTJ-UHFFFAOYSA-N 283.228 3.686 30 20 CHED COCC[C@@H]1CCCC1=NN[C@@H](C)c1ccccc1 799877333 WDPNXUJSIHLDNV-ZFWWWQNUSA-N 260.381 3.530 30 20 CHED CC[C@@H](C)CN(C)c1nc2ccccc2cc1C#N 71389785 KIRWSXJZMPZBKM-GFCCVEGCSA-N 253.349 3.589 30 20 CHED C=CC[C@@H](C(=O)OC[C@H]1CCC(C)(C)O1)c1ccccc1 792020830 KLTQNCUORDQPKV-HZPDHXFCSA-N 288.387 3.847 30 20 CHED Cc1ccc(C(=O)N2CCC(CC(C)C)CC2)cc1C#N 799421640 PNXQCSLCEBAUDS-UHFFFAOYSA-N 284.403 3.765 30 20 CHED Cc1cc(NN=C[C@@H](c2ccccc2)C(C)C)nc(C)n1 794494680 HXCFRYSPYQYUJK-MRXNPFEDSA-N 282.391 3.931 30 20 CHED CSCCON=C(Cc1ccc(C)cc1)C1CC1 794577478 UVVAWYYMSYVKQT-UHFFFAOYSA-N 263.406 3.683 30 20 CHED CC1=C(C)C[C@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 584352046 DSQQBAVMDKQYOG-CABCVRRESA-N 274.408 3.664 30 20 CHED Fc1ccc(Cl)cc1C=NNc1cccc(Cl)n1 793163092 DYCUZDZDRZTDPE-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CCOc1ccc(N[C@H]2CC[C@@H](C#N)C2)c2ncccc12 799723827 VAEWVFJGUQGLSL-OLZOCXBDSA-N 281.359 3.738 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](CC)c1cc(F)ccc1F 791066937 GZKTYMFRJCFWPS-WFASDCNBSA-N 294.345 3.517 30 20 CHED Cc1ccc(C2=CCN(C[C@@H](C#N)CCC#N)CC2)cc1 798036009 RRRRBWYKHVTVGQ-MRXNPFEDSA-N 279.387 3.528 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](CC)c1ccc(Cl)s1)C(C)C 798555940 WRLXCBGNVZDNOE-MNOVXSKESA-N 298.839 3.810 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cc(O)cc(O)c1 799493893 UKQORKJNMDEAOO-UHFFFAOYSA-N 284.359 3.805 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 799001475 OSPHMIVTTRIGLV-BXUZGUMPSA-N 297.320 3.727 30 20 CHED CC[C@@H](C)[C@@H](C(=O)OCCCC#N)c1ccccc1 794005242 VOLAXMOKQMYFKX-UKRRQHHQSA-N 259.349 3.663 30 20 CHED CCCCCCCS(=O)(=O)N(C(C)C)C1CCC1 799775485 GIRVZCFWQJPNEN-UHFFFAOYSA-N 275.458 3.550 30 20 CHED CC[C@H](C)NN=Cc1cc(Cl)c(OC)cc1Cl 790191154 TVTJDSGSPWJMTQ-QMMMGPOBSA-N 275.179 3.724 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sc2ccccc2c1Cl 767259141 NKFSEWCPEPUPBV-SECBINFHSA-N 277.776 3.648 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1ccc(Cl)c(F)c1 1319643867 NJOXUAYPQGYGJO-VIFPVBQESA-N 275.714 3.919 30 20 CHED C=CCN(C(=O)c1cc(C)c2ccccc2n1)C(C)C 1317907253 OEAOOJYQEZQZRQ-UHFFFAOYSA-N 268.360 3.580 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(CF)cc1 1328013495 SWKVDMPQHMSWNX-UHFFFAOYSA-N 263.312 3.643 30 20 CHED CCOc1cccc([C@H]2C[C@H]2Nc2cccc(CC#N)n2)c1 1320656279 QNKGKQNWMHACDJ-IAGOWNOFSA-N 293.370 3.514 30 20 CHED N#Cc1cc(Cl)c(C(=O)N[C@@H]2C=CCCC2)c(Cl)c1 1324503042 SGRYBHSOTTWHAU-SNVBAGLBSA-N 295.169 3.704 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCOC(C)(C)C1 1336966177 VJEGQDXCVQJJKG-MRXNPFEDSA-N 293.451 3.787 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cccc(-c2ccoc2)c1 1338327538 FVLFERWHWIVFHB-MRXNPFEDSA-N 282.343 3.711 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(SC)o1 1339153762 XITPCODKJLXXQT-NSHDSACASA-N 265.378 3.572 30 20 CHED COc1cc(C#N)ccc1C(=O)Nc1ccc(SC)cc1 1264272589 YSAJNYGGKHWAKW-UHFFFAOYSA-N 298.367 3.541 30 20 CHED Cc1cccc(C)c1NC(=O)NCCc1ccc(C#N)cc1 1197625074 KZNDZEAYGKDBIL-UHFFFAOYSA-N 293.370 3.539 30 20 CHED CC(C)(C)C#Cc1nnc(-c2ccccc2Cl)o1 1349954820 DJYRCXLAXSMJPH-UHFFFAOYSA-N 260.724 3.788 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1coc(C)n1 1345142216 SSYHQJVVGDSFCY-UHFFFAOYSA-N 263.728 3.781 30 20 CHED C=CCC[C@H](C(=O)NCc1nc(C)c(C)o1)c1ccccc1 1347242516 QDUCRIZUDZZYOW-INIZCTEOSA-N 298.386 3.658 30 20 CHED CN(Cc1ccccc1)CC1CCN(CCCCC#N)CC1 103142876 SHTSYSMINFEARP-UHFFFAOYSA-N 299.462 3.524 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCCC[C@@H]1CCCCC1=O 1515257405 SRYPGLGHKUGJNJ-HNNXBMFYSA-N 299.370 3.563 30 20 CHED N#CC[C@H](OC(=O)c1ccc(C2CC2)cc1)c1ccco1 1520417123 CJRLGFHOAGWONU-INIZCTEOSA-N 281.311 3.969 30 20 CHED Cc1cc(C#N)cc(NC(=O)Cc2c(C)cc(C)cc2C)c1 1525310546 DCIDOUWUWRXSOH-UHFFFAOYSA-N 292.382 3.973 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(C#N)cc1F 1526342359 FPGKBQXGHNLPSD-QGZVFWFLSA-N 288.366 3.738 30 20 CHED CCc1ccc(CCC(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 1528082588 ZPEHHLSHSTVERV-DLBZAZTESA-N 285.387 3.807 30 20 CHED CC1(C)CN(C(=O)c2cc(C#N)ccc2F)c2ccccc21 1534709252 ZIPZWRAJTWQDCV-UHFFFAOYSA-N 294.329 3.635 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)CCC1CC1 1539776133 WAHTZRBYCJEZFH-LLVKDONJSA-N 296.846 3.780 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1ccccc1 20035418 YFLYDCYYGDZHCF-LBPRGKRZSA-N 254.308 3.548 30 20 CHED N#CCCCCNc1c(Cl)cc(Cl)cc1C(=O)O 1610621601 MQVHYYLJOIBVMO-UHFFFAOYSA-N 287.146 3.797 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 227358788 KPUZOFGDIOMXQI-NEPJUHHUSA-N 291.376 3.553 30 20 CHED CCO[C@@H]1C[C@H](Nc2nc(C)ccc2C#N)C1(CC)CC 1559121043 LADIMJFILSHJNA-LSDHHAIUSA-N 287.407 3.657 30 20 CHED CCC[C@H](NCc1ccc(OC)c(C#N)c1)[C@@H]1CC1(C)C 1621498177 OSHWEXULOHSZGB-HOTGVXAUSA-N 286.419 3.871 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 1625934304 MBRGMVMPZMGXOC-ZDUSSCGKSA-N 295.342 3.671 30 20 CHED C#CCCCCC(=O)N(C)[C@H](C)c1ccccc1F 119562111 GQALFJJUGYCLPG-CYBMUJFWSA-N 261.340 3.539 30 20 CHED CCN(Cc1ccccc1)c1ncc(Cl)c(C)c1C#N 1639178108 AYCVCNIEYRRSHJ-UHFFFAOYSA-N 285.778 3.942 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(Cc3cccc(C#N)n3)C2)cc1 1560793529 RBJIDBQHDGSYSE-NVXWUHKLSA-N 291.398 3.640 30 20 CHED N#Cc1ccnc(CN2CCC[C@@H]2CCC2CCCC2)c1 1642285171 KVOWDYGIPQEJRF-GOSISDBHSA-N 283.419 3.888 30 20 CHED Cn1c(CNc2cccc(OCC#N)c2)cc2ccccc21 1560744757 RRPRLWZJPTXGDN-UHFFFAOYSA-N 291.354 3.693 30 20 CHED CC1(C)C[C@@H]1CNc1c(C#N)cnc2ccccc12 230905462 CKZVNYODXYNWJR-GFCCVEGCSA-N 251.333 3.564 30 20 CHED C[C@@H](CC#N)NC(=O)c1cc2cc(Cl)ccc2s1 1585744696 LHOXJEPWDCJTPI-QMMMGPOBSA-N 278.764 3.587 30 20 CHED C=C[C@@H](Nc1ccc(C)c(Oc2cc(C)ccn2)c1)C(=O)O 1588702025 GOBGXNUQCCQNKT-CQSZACIVSA-N 298.342 3.542 30 20 CHED Cc1cc(C)c(/C=C/CNc2n[nH]c(C)c2C#N)cc1C 1658083664 JNGKWIUBUJBWTG-AATRIKPKSA-N 280.375 3.640 30 20 CHED Cc1nc(C#N)cc(NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 1655058449 QBWOQZJAWKMESV-IVMMDQJWSA-N 286.423 3.777 30 20 CHED C[C@@H](Nc1ccc(C(=O)O)c(F)c1)c1cccc(C#N)c1 1593359615 JYWIOYULIDLVJO-SNVBAGLBSA-N 284.290 3.569 30 20 CHED C=CCSCCNC1CCC(C(F)(F)F)CC1 123492094 CXDLBVQFACJPAJ-UHFFFAOYSA-N 267.360 3.616 30 20 CHED C=CCc1ccccc1C=NNc1ccc(C(=O)O)c(F)c1 1776077006 PVGZPFVNTXATAF-UHFFFAOYSA-N 298.317 3.698 30 20 CHED C[C@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776061576 CTQUFKSPQJZPEX-VIFPVBQESA-N 264.300 3.502 30 20 CHED CC1(C)CCCC(=NNc2ccc(C(=O)O)nc2)CC1 1776071775 SDTFTOMDKNXIBI-UHFFFAOYSA-N 275.352 3.538 30 20 CHED Cc1cccc(NC(=O)[C@H](C)Nc2ccc(CC#N)cc2)c1 15499238 DZJAOJPNBAZTKK-AWEZNQCLSA-N 293.370 3.500 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 151974700 GYPOYMYETUMWRN-LBPRGKRZSA-N 277.389 3.526 30 20 CHED COc1ccc(C(=O)/C=C/c2ccccc2OC)cc1F 7336079 LEMDSYJAJUJVTM-VQHVLOKHSA-N 286.302 3.739 30 20 CHED CC(C)(C#N)CCCNc1ccn(-c2ccccc2)n1 153378744 IXFIGNRAJCABKX-UHFFFAOYSA-N 268.364 3.614 30 20 CHED Cc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1C 156042079 MNXUTEMOPXCZMN-UHFFFAOYSA-N 297.358 3.844 30 20 CHED C[C@@H](CC#N)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 157591422 JNVVFSQGAUTPBA-QWRGUYRKSA-N 298.308 3.617 30 20 CHED CC(C)N(CC#Cc1cccc(Cl)c1)CC(F)F 157246358 XMNGWDQMTRIPCE-UHFFFAOYSA-N 271.738 3.667 30 20 CHED C=C(Cl)CNCc1ccc(F)cc1C(F)(F)F 157898155 SSLCLZXAIYEXBQ-UHFFFAOYSA-N 267.653 3.687 30 20 CHED C/C(=C/C(=O)O[C@H](C#N)C(C)(C)C)c1ccc(F)cc1 154593613 TXTZQCCLOOOLRU-RBJHHQRMSA-N 275.323 3.710 30 20 CHED C=CC[C@H](C)NCc1ccc(F)cc1C(F)(F)F 156937403 QBYUVVHZSQULSU-VIFPVBQESA-N 261.262 3.899 30 20 CHED Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1 209108736 GKTOQZUNEDSDBX-FLIBITNWSA-N 262.312 3.519 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](c1ccccc1)[C@H](C)CC 249745678 NAYUFWOUPHQLGV-BMFZPTHFSA-N 272.392 3.625 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(C#N)cc2C)CC1 165486461 IQEUQGIXGOCGQA-OAHLLOKOSA-N 256.393 3.879 30 20 CHED N#Cc1ccc(NC(=O)N2CCCCCC2)cc1Cl 48474464 AONAIIYINZCJPC-UHFFFAOYSA-N 277.755 3.620 30 20 CHED CC(C)(C#N)CCCOc1cccc2ncccc12 178817426 QSUYLRPRQJTGBY-UHFFFAOYSA-N 254.333 3.944 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(Br)ccc1F 185451904 XGQMTDHYESUGOQ-UHFFFAOYSA-N 298.155 3.576 30 20 CHED CC1(C)CCC(NCCc2cccc(C#N)c2)CC1 466423020 PMQQBTSRLIVUBY-UHFFFAOYSA-N 256.393 3.659 30 20 CHED C[C@H]1CC(NCc2ccc(C#N)c(F)c2)C[C@H](C)C1 404111278 DOSDEKBSDHNFJL-VXGBXAGGSA-N 260.356 3.612 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)c(F)c1 404247962 HDAAVINIILLFNN-WBMJQRKESA-N 260.356 3.708 30 20 CHED CC[C@H]1CC[C@H](C)N1c1nc(C)c(C#N)cc1Cl 311118616 ODXUQBVVNOERGK-CABZTGNLSA-N 263.772 3.682 30 20 CHED CC1(C)CC[C@@H]1Nc1nc2ccccc2cc1C#N 311938845 HNRCPSMOODQUES-AWEZNQCLSA-N 251.333 3.707 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@H]1CC=CCC1 701306959 RDVDYOSNBUNVDK-JTQLQIEISA-N 260.724 3.506 30 20 CHED C[C@@H]1CC(F)(F)CCN1c1ccc(C#N)cc1Cl 697656173 QSMRNBIVTKJCPK-SECBINFHSA-N 270.710 3.836 30 20 CHED C[C@@H](CN(C)c1ccc(C#N)cc1)c1ccccc1 395074996 ZWUWZBXIIRUQBF-AWEZNQCLSA-N 250.345 3.798 30 20 CHED Cc1cccc(Nc2nnc(S[C@@H](C)C#N)s2)c1 4838354 MVHPPUVGXIRQHL-VIFPVBQESA-N 276.390 3.594 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(Cl)cc1F 104974109 HVFSARZYLRFCPN-UHFFFAOYSA-N 270.735 3.909 30 20 CHED C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 104978733 XVQRYEFKGUMKCE-RNCFNFMXSA-N 277.755 3.522 30 20 CHED C[C@H](C#N)OC(=O)c1ccc(Oc2ccc(F)cc2)cc1 8522700 MEZGWBCKLTXFQR-LLVKDONJSA-N 285.274 3.687 30 20 CHED CC(C)(C)OCCSCc1ccc(F)cc1C#N 108413847 AIVMNZKIDDXXGM-UHFFFAOYSA-N 267.369 3.746 30 20 CHED CCC(CC)[C@@H](O)C/N=C/c1c(O)ccc2ccccc12 110129674 KRYGBLALCUDACH-PYJSORCASA-N 285.387 3.761 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1cccc(C#N)c1 55616460 VWWGFIYLQMUWIT-UHFFFAOYSA-N 280.327 3.518 30 20 CHED C[C@@H]1CC(NC(=O)N(C)Cc2cccc(C#N)c2)C[C@@H](C)C1 172399439 PNAXUKWCLAFYLO-KBPBESRZSA-N 299.418 3.524 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)Cc1ccccc1 178576291 PNRRCDKBOUIKJH-UHFFFAOYSA-N 279.343 3.531 30 20 CHED C#CC[C@H](OC(=O)c1cc2ccccc2o1)c1ccccn1 113661000 AVNQZIXMPNVENE-INIZCTEOSA-N 291.306 3.749 30 20 CHED C#CCCCNC(=O)c1cc(Cl)ccc1SCC 177108939 ABVLOWDLGXYAGI-UHFFFAOYSA-N 281.808 3.595 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C/c1ccccc1 178394085 CEPMPRSXJNKLGK-ZHACJKMWSA-N 262.312 3.519 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1cccc(O)c1 303131589 PJPMFCRYRFUCPS-SOFGYWHQSA-N 256.276 3.736 30 20 CHED C=CCCC(=O)N1c2ccccc2S[C@@H](C)[C@@H]1C 176698857 GZWRMRXKDOZIBU-RYUDHWBXSA-N 261.390 3.869 30 20 CHED CCCn1c(-c2ccc(C#N)o2)nc2cc(F)ccc21 173743808 CODCWFLCEPIMCR-UHFFFAOYSA-N 269.279 3.717 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 175580477 KETMKCMLTYKCBX-ZJUUUORDSA-N 284.812 3.513 30 20 CHED CC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 175764333 WYFBPXNPXAXVGI-ZDUSSCGKSA-N 293.322 3.679 30 20 CHED COC(=O)c1ccc(/C=C2\C[C@H](C)c3ccccc3C2=O)o1 178902235 DLCBTOWRPIEFCE-OCUQMRJBSA-N 296.322 3.840 30 20 CHED CCSc1cc(CNc2ccc(C#N)cc2F)ccn1 302412482 LRYZGHLABCDYJB-UHFFFAOYSA-N 287.363 3.816 30 20 CHED C=CCCC(=O)N1CCCc2cc(OC(F)F)ccc21 171440146 RHLFFCQECHUEPL-UHFFFAOYSA-N 281.302 3.533 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@@H]2CCc3ccccc32)C1 116813099 XVEUHVPHKVYZSG-SIXWZSSISA-N 296.414 3.695 30 20 CHED CN(Cc1ccc(C#N)cc1F)c1c(F)cccc1F 64799674 HJGZAAIGLSKMTQ-UHFFFAOYSA-N 276.261 3.612 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1ccc(O)c(F)c1 170851827 JKOIHVGBSPLIME-GQCTYLIASA-N 260.239 3.567 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)c1cccc(C(C)C)c1 69360014 GVTJBXJMYNMKJU-AWEZNQCLSA-N 275.392 3.754 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(F)cc1 60677774 SHQKUHZSCFADOU-UHFFFAOYSA-N 275.348 3.716 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1(CC)CCCC1 176841257 VIMUXLCZJSCVGK-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C=CCC(CC=C)C(=O)NCc1cc2ccccc2[nH]1 127965557 QRZZVAXRFMNFLK-UHFFFAOYSA-N 268.360 3.553 30 20 CHED CC[C@@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C1 301541338 CAVAOEKIEHFPCF-SNVBAGLBSA-N 268.282 3.813 30 20 CHED CCn1ncc2ccc(NCc3cc(C#N)cs3)cc21 123443239 CNHSNROIQUBCRI-UHFFFAOYSA-N 282.372 3.601 30 20 CHED Cc1ccsc1CCCC(=O)[C@@H](C#N)c1ccccn1 129405540 KMNGFJQTBGOMIG-ZDUSSCGKSA-N 284.384 3.651 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2cccc(C)c2)cc1 120416600 SBCDQYYWMVMSPL-MRXNPFEDSA-N 279.383 3.858 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(C)[C@H](C)CC#N 413356988 HCLBUFKSOXQCFV-UKRRQHHQSA-N 264.413 3.744 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 185289031 MQNVMJRRJJIXKJ-OAHLLOKOSA-N 285.431 3.909 30 20 CHED CCCCCC(=O)NCc1cccc(O[C@@H](C#N)CC)c1 71069505 QPEWHVLKOVJLHQ-OAHLLOKOSA-N 288.391 3.564 30 20 CHED C=CCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 128159763 LIOIGVUPZVNGSM-CQSZACIVSA-N 294.350 3.750 30 20 CHED C=CCC[C@H](C(=O)NCc1ccoc1)c1ccccc1 187843944 AQMJVVNHQSIQOM-INIZCTEOSA-N 269.344 3.646 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)c2cc(C#N)ccc2Cl)C1 505402941 LKEUSPZGCPJXTJ-AAEUAGOBSA-N 290.794 3.862 30 20 CHED C[C@H]1CN(CCCSCC#N)CC[C@@H]1c1ccccc1 74991556 ODRWWMNADYIEKD-RDJZCZTQSA-N 288.460 3.759 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C=C(CC)CC 126171863 IMTQKAOJGWKEGU-UHFFFAOYSA-N 282.387 3.819 30 20 CHED CC#CCCCC(=O)Nc1cc(Br)ccc1F 185451973 QLMVRUJKANEZCV-UHFFFAOYSA-N 298.155 3.720 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H]1C[C@H](OCC)C12CCC2 127007096 CNOUFOCULJGWTR-CVEARBPZSA-N 291.435 3.561 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H](Oc2ccccc2)C1 416270198 KLNKUKGLVOFEDI-GOSISDBHSA-N 299.414 3.825 30 20 CHED Cc1[nH]ncc1[C@@H](C)Nc1cccc(OCCCC#N)c1 181082218 CWWNUKJDQBHLFL-GFCCVEGCSA-N 284.363 3.574 30 20 CHED CC(=O)c1cccc(NCCCOc2cccc(C#N)c2)c1 127550041 UGFRCGSLXZDKSX-UHFFFAOYSA-N 294.354 3.642 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)CC1 189707303 GGZRIGMDZIHMTA-DZGCQCFKSA-N 285.391 3.843 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C(C)(CC)CC 185482870 OAVPTCZCVROPGA-UHFFFAOYSA-N 274.364 3.722 30 20 CHED C=CCn1c(SCCF)nnc1-c1ccc(Cl)cc1 78938483 LYCDQBKHZWJDGW-UHFFFAOYSA-N 297.786 3.846 30 20 CHED COc1cc(/C=C/C(=O)c2sccc2C)cc(OC)c1 72614361 QFBZRVCMYHYPRS-SNAWJCMRSA-N 288.368 3.970 30 20 CHED N#Cc1cccc(NCc2ccc(OCC(F)F)cc2)c1 132884201 CMWFEOWQAHNYJS-UHFFFAOYSA-N 288.297 3.814 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@@H](CC)C2)c1 133143543 MDISDMMZBHOEIS-CQSZACIVSA-N 288.391 3.905 30 20 CHED N#Cc1cnc(N2CCCC[C@H]2c2ccccc2)c(F)c1 413221829 AAOKWJZPQQDUEV-INIZCTEOSA-N 281.334 3.824 30 20 CHED CC(C)(C#N)CCCCN1C[C@@H](O)C[C@H]1c1ccccc1 411926624 QDMNKIZPHVMODE-IRXDYDNUSA-N 286.419 3.514 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](Cc2ccccc2)C1 188447423 CZAJGDLSIUSQCY-FUHWJXTLSA-N 271.404 3.680 30 20 CHED C=C(C)CS[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O 419411395 BKUFKGXSDHTNOG-IUODEOHRSA-N 293.407 3.797 30 20 CHED C=CCc1cc(CN2CCC[C@H](CC)C2)cc(OC)c1O 509546869 WPRAXTLYEGWVAM-AWEZNQCLSA-N 289.419 3.751 30 20 CHED N#Cc1ccc(CN2CCSC3(CCCCC3)C2)s1 131555786 QFDQCZRYTGXBRE-UHFFFAOYSA-N 292.473 3.871 30 20 CHED C[C@H]1CC[C@H](C(O)=Nc2ncn(C3CCCCC3)n2)C1 329570800 QLTLVNPVXQIZPX-RYUDHWBXSA-N 276.384 3.808 30 20 CHED N#C[C@@H](C(=O)CCc1ccc(Cl)s1)c1ccccn1 49458588 WLZONHNFQILLRA-LLVKDONJSA-N 290.775 3.606 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(F)c(C(F)(F)F)c1 134710043 KDMDOSRKQKPKNU-QMMMGPOBSA-N 275.245 3.539 30 20 CHED N#Cc1cccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 610271345 HURXYJFNZVMWPG-YESZJQIVSA-N 254.377 3.617 30 20 CHED Cc1cc(C)cc(CSc2cccnc2C#N)c1 130911948 PSNUMOXLZLNRQB-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C[C@@H](/N=C(/O)c1ncoc1C1CC1)C1CCCCC1 328825970 HSYSCWOERMHQIU-SNVBAGLBSA-N 262.353 3.825 30 20 CHED COC(=O)c1oc(CSc2ccc(C#N)cc2)cc1C 426588551 YCFYNDOCMNAQEN-UHFFFAOYSA-N 287.340 3.539 30 20 CHED Cc1cccc2c(CC(=O)OCC(C)(C)CCC#N)c[nH]c12 195040328 YDRGGKXUZSULSV-UHFFFAOYSA-N 298.386 3.892 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H](C)C2CCCCC2)C1 328828307 IVJOTJDLTCAPDV-GVXVVHGQSA-N 266.385 3.667 30 20 CHED N#Cc1ccc(NCCCOCCc2ccccc2)cc1 195669173 RCWZHNAMTBLMEN-UHFFFAOYSA-N 280.371 3.620 30 20 CHED N#Cc1ccc(Sc2nccc(C(F)(F)F)n2)cc1 48837443 QWOHQBXCIZLGNN-UHFFFAOYSA-N 281.262 3.518 30 20 CHED C=C(CNC(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1 512661164 QFWLUAFNQIRGII-HNNXBMFYSA-N 292.382 3.861 30 20 CHED C#CCCCC(=O)N[C@H](CC)C(C)(C)c1ccccc1 192346934 YAUNKKZHXOFZLS-MRXNPFEDSA-N 271.404 3.663 30 20 CHED N#Cc1cccc(NC(=O)c2sccc2C2CC2)c1 46438473 GAWBCQXYYMSNST-UHFFFAOYSA-N 268.341 3.749 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](CC)Cc1ccccc1C 424681979 WDYKMEUTYVNCKY-LSDHHAIUSA-N 259.393 3.645 30 20 CHED C[C@H]1CC[C@H](C)N1Cc1cc(C#N)ccc1Br 191807602 GKTPDGVTBWGZFQ-QWRGUYRKSA-N 293.208 3.694 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)C=C1CCC1 87059752 UMXOONRTLXYKAZ-UHFFFAOYSA-N 291.734 3.626 30 20 CHED N#CC1(COC(=O)c2ccc(C3CCC3)cc2)CCC1 192297640 ALGKUIKWEXXTBR-UHFFFAOYSA-N 269.344 3.805 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC=CCC2)n1 80459099 PQWXQKZULIVZCK-VXGBXAGGSA-N 274.389 3.799 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)C1 331745525 CQSPLGDEJJEYMV-GHMZBOCLSA-N 288.416 3.873 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCc2cc(F)ccc21 190990726 CUOVFBCFFOTYJE-HOCLYGCPSA-N 261.340 3.532 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ncc3c(c2C#N)CCC3)C1 425240638 YUPFJSFTQKWEND-QWHCGFSZSA-N 287.432 3.528 30 20 CHED N#Cc1ccc(CN2CCCC[C@H]2Cc2ccccc2)o1 92759807 LNQZNLZRWKLGDV-INIZCTEOSA-N 280.371 3.748 30 20 CHED Cc1cc(NC(=O)Nc2ccc(CC#N)cc2)cc(C)c1O 336530523 URMFKCLYIMCDMI-UHFFFAOYSA-N 295.342 3.719 30 20 CHED C[C@@H]1CCC[C@@H](CNc2nc(Cl)c(C#N)s2)C1 235344422 LRDMZFQIBRNPNN-RKDXNWHRSA-N 269.801 3.906 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(C(C)=O)c1 424822834 AJJLLDBMASQACO-UHFFFAOYSA-N 263.312 3.569 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCCN(c3ccccc3)C2)CC1 336209872 JBHLXVFISVRGPS-TVRKMHQQSA-N 297.446 3.717 30 20 CHED COc1cc(CN[C@@H](C)c2ccccc2C)ccc1C#N 234938806 YFHBBWOHEIGVNW-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C=CCC1(c2nc(-c3ccc(N(C)C)cc3)no2)CCC1 516601077 SJBSESFIZHEJRQ-UHFFFAOYSA-N 283.375 3.800 30 20 CHED N#Cc1ccc(COc2ccc([N+](=O)[O-])c(Cl)c2)cc1 49302902 HIOSONDCJKZPOO-UHFFFAOYSA-N 288.690 3.699 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2oc(C(C)C)nc2C)c1 335087422 VVOSFLTYHQWANG-UHFFFAOYSA-N 283.331 3.539 30 20 CHED C=CCCCC[C@H](C)NC1CCN(CC(F)(F)F)CC1 513461898 AHPYMPADJOXGKY-ZDUSSCGKSA-N 292.389 3.738 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 331625312 YJPHVCRCMVWEBH-ZMSDIMECSA-N 297.402 3.534 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)c1nccc(C#N)c1Cl 235261244 HEVMCAQMWUDDQT-ZYHUDNBSSA-N 263.772 3.622 30 20 CHED N#Cc1csc(CN2CCCc3ccccc3C2)c1 93085207 UUXUADNXQDPJLY-UHFFFAOYSA-N 268.385 3.568 30 20 CHED CN(C(=O)[C@H]1CCCC(C)(C)C1)c1ccccc1C#N 534474300 GONVTJVATZANPK-ZDUSSCGKSA-N 270.376 3.737 30 20 CHED C=CCC[C@@H](NCCc1ccc(C)c(OC)c1)C1CC1 438994853 AOLMYCHDEJZLSB-QGZVFWFLSA-N 273.420 3.881 30 20 CHED C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C)CC1 337772136 IMGVTSGQYHNHTR-INIZCTEOSA-N 296.418 3.513 30 20 CHED C=CC1CCN(C(=O)C2C[C@H]3CCC[C@H](C2)C3)CC1 435865381 PJIAFBZJDQIWBO-GJZGRUSLSA-N 261.409 3.627 30 20 CHED C=CCC[C@@H](N[C@@H]1CCCN(c2ccccc2)C1)C1CC1 439006232 SZMMGVYJOFYHDE-IEBWSBKVSA-N 284.447 3.990 30 20 CHED N#Cc1cnccc1/C=C/c1coc(-c2ccccc2)n1 349103781 CVWYPAUPYOUOLH-VOTSOKGWSA-N 273.295 3.779 30 20 CHED N#CCC[C@@H](C#N)CN1CC2(CCC2)c2c(F)cccc21 343728953 JUVRBDROTKUAQR-ZDUSSCGKSA-N 283.350 3.511 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCc1ccc(C)cc1 436318845 ZAALEBSFMMAKQJ-WDSOQIARSA-N 287.447 3.887 30 20 CHED C=C(C)CCc1noc(CSCc2c(C)noc2C)n1 349788929 WFNIWUTVBFROJP-UHFFFAOYSA-N 293.392 3.617 30 20 CHED Cc1cn(Cc2cccc(OCC(F)(F)F)c2)cc1C#N 521138776 LEMXEQXTVUIXAA-UHFFFAOYSA-N 294.276 3.658 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1 341482654 OKRVNBNSPKHUAQ-OAHLLOKOSA-N 288.366 3.738 30 20 CHED Cc1ccccc1[C@H]([C@@H](C)NC[C@H](C)CCC#N)N(C)C 602627042 PFCHOQGRFYGJDB-KYJSFNMBSA-N 287.451 3.516 30 20 CHED C=C1CCN(Cc2csc(-c3ccc(C)o3)n2)CC1 342009384 RAEVHWWJPWRKJH-UHFFFAOYSA-N 274.389 3.864 30 20 CHED CCC1(C)CCN(C(=O)Nc2cccc(C#N)c2C)CC1 431748494 GYBIDIWRPHSRLW-UHFFFAOYSA-N 285.391 3.911 30 20 CHED C=CCCC(=O)N(CCC)[C@@H]1C[C@H](OCC)C12CCCC2 607094530 UOPXPNAYVPQPLV-CVEARBPZSA-N 293.451 3.929 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCOc2c(F)cccc2C1 434624965 SBBUUDLFNZMNCR-CYBMUJFWSA-N 296.345 3.653 30 20 CHED Cc1ncccc1/C=C1/CSc2c(F)cccc2C1=O 255118936 VQHWZZNVZQVBFU-WQLSENKSSA-N 285.343 3.901 30 20 CHED C=CCC(C)(C)c1noc(CC[C@H](C)SC)n1 340787411 AEJHSBJGKCBWSX-JTQLQIEISA-N 254.399 3.607 30 20 CHED C=CCCN(C)[C@H]1C[C@H](OCC)C12CCCCC2 525123850 DNZYRUKZZZMGHE-GJZGRUSLSA-N 251.414 3.622 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(C(F)(F)F)c2)C1 442860262 BPWBPVOKMPXCCJ-CABZTGNLSA-N 254.255 3.810 30 20 CHED N#Cc1ccc(NCc2cc(-c3ccccc3)no2)c(F)c1 350727894 BGUGNTQSTBOYDC-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)C1CCC(CC)CC1 445551742 HENJBPGSYYVHHS-DQPZFDDXSA-N 281.440 3.642 30 20 CHED CC(C)c1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)on1 269629582 UVXIEWDXQOLHJL-AWEZNQCLSA-N 297.358 3.573 30 20 CHED C=CCN(CCc1ccco1)Cc1nc2ccccc2o1 352702555 ZFLUVVPWGNTKLG-UHFFFAOYSA-N 282.343 3.652 30 20 CHED C=C1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 267792915 YVGVLLLCEDLFJB-UHFFFAOYSA-N 286.762 3.680 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)NCC(C)(C)CCC#N 358677878 CXZWVHFOFZYUPV-AWEZNQCLSA-N 299.418 3.645 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](CC)c1nc(C)cs1 358983517 CGSXDEZQBJFJJL-NEPJUHHUSA-N 281.425 3.557 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N(CCC#N)CC1CC1 358817594 POHIRWHIZJJCRV-MRXNPFEDSA-N 276.424 3.745 30 20 CHED CCCn1ccc2ccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)cc21 449932416 TYQZIZKAOAQQKX-YVEFUNNKSA-N 281.359 3.540 30 20 CHED N#Cc1cccc(NCC#Cc2cccc(Cl)c2)c1 448100454 CSIHPBJSDSOSAV-UHFFFAOYSA-N 266.731 3.675 30 20 CHED C=C(Cl)CNC(=O)c1ccc(CCC(F)(F)F)cc1 269792555 RPDHJDCDSJMSIW-UHFFFAOYSA-N 291.700 3.664 30 20 CHED CC1(CNC(=O)C[C@@H](CC#N)c2ccccc2)CCCC1 355829816 ONGZGNTVJZRWBY-MRXNPFEDSA-N 284.403 3.770 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCc2cc(C)ccc21 539703970 ZOVOONJTWBGQHP-HOCLYGCPSA-N 272.392 3.636 30 20 CHED C=CCC[C@@H](NCc1ccc(C)nc1)c1ccco1 353436033 AUMUSJVELXVNFY-OAHLLOKOSA-N 256.349 3.780 30 20 CHED N#Cc1cc(NCc2cc3ccccc3[nH]2)ccc1F 618948518 OYRUJQJRZTWJAY-UHFFFAOYSA-N 265.291 3.791 30 20 CHED CN1CCCN(Cc2cccc(C#N)c2)c2cc(F)ccc21 533393238 KUVQTQQTTWSHOL-UHFFFAOYSA-N 295.361 3.544 30 20 CHED Cc1cccc(NCC2CCC(C#N)CC2)c1[N+](=O)[O-] 619651637 MQIYAPKGTXOCKH-UHFFFAOYSA-N 273.336 3.645 30 20 CHED CN(Cc1cc(F)cc(F)c1)Cc1ccc(C#N)c(F)c1 444702154 IACMLHJXUJVIMU-UHFFFAOYSA-N 290.288 3.608 30 20 CHED Cc1cc(CN2CCC[C@@]3(CCSC3)C2)ccc1C#N 449733750 QBTSFRYQQQGVMI-QGZVFWFLSA-N 286.444 3.586 30 20 CHED C=CCCCCCN(C)Cc1cn2ccccc2c1C#N 610079908 QLTPGKHXJGPKSL-UHFFFAOYSA-N 281.403 3.989 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2sccc2c1 268336308 DOIJCOCVFCYNQT-UHFFFAOYSA-N 259.374 3.940 30 20 CHED Cc1cc(C)cc(OCCN[C@@H](C)c2ccc(C#N)cc2)c1 538393953 YLZIAUFOKWDGBJ-INIZCTEOSA-N 294.398 3.905 30 20 CHED C#CCN(CC)C(=O)Nc1ccccc1SC(C)C 268451978 FUJMIOMJZZQWFC-UHFFFAOYSA-N 276.405 3.674 30 20 CHED CCC1CCC(CNC(=O)N2CCC[C@@](C)(C#N)C2)CC1 612126103 ANHNGNNISUZCII-DQPZFDDXSA-N 291.439 3.538 30 20 CHED C=C(C)CCNC(=O)Nc1cc(C)c(F)cc1Cl 455417527 HUAANALDIRFMRC-UHFFFAOYSA-N 270.735 3.875 30 20 CHED Cc1c(F)cccc1NC(=O)c1ccc(Cl)c(C#N)c1 539783839 MXCLEASQMOXWNU-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCC(F)(F)C2)c(Cl)c1 610877311 PLURALBDYQSQJM-SECBINFHSA-N 299.708 3.521 30 20 CHED Cc1nn(-c2ccccc2)c(CN(C)[C@@H](C)C(C)C)c1C#N 611346329 YLQVUOLUHJZVOY-HNNXBMFYSA-N 296.418 3.529 30 20 CHED Cc1cc(C)nc(S[C@@H](C#N)Cc2ccccc2)c1 615683388 MAIYRMAOGFRLQD-OAHLLOKOSA-N 268.385 3.925 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1nccc2ccccc12 611254329 PWJMFJBEPKBVFX-UHFFFAOYSA-N 287.366 3.738 30 20 CHED N#CCCCC(=O)NCC1(Cc2ccccc2)CCCCC1 360663407 CYPUMVLRYJDPQW-UHFFFAOYSA-N 298.430 3.990 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H](C)CCC(C)(C)C 544426156 KODDUVFUFPZSAP-LBPRGKRZSA-N 288.391 3.968 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc([C@@H]2CCCC[C@H]2CC)no1 453188943 RCQQBTLTORVSAD-SYQHCUMBSA-N 276.380 3.812 30 20 CHED Cc1c(C#N)c(SCC2CC(F)(F)C2)nc2c1CCC2 450725862 JGBYRYNVQWNRFY-UHFFFAOYSA-N 294.370 3.888 30 20 CHED CCCN(C(=O)c1c[nH]c(C#N)c1)[C@H](CC)c1ccccc1 272026334 SQQXOZVYVVAQHW-QGZVFWFLSA-N 295.386 3.890 30 20 CHED N#Cc1ccc(N2CCC(=Cc3ccccc3F)CC2)cn1 362562499 SQBKWEOZZKFKKG-UHFFFAOYSA-N 293.345 3.776 30 20 CHED Cn1cc(CN2CCC[C@H]2/C=C/c2ccccc2)cc1C#N 361605180 XIZHKPPIAAYKTL-BBVFFXRHSA-N 291.398 3.575 30 20 CHED Cc1nccn1CCCS[C@@H](C)c1ccc(C#N)cc1 271874942 YXSJHPLDIXDUSB-ZDUSSCGKSA-N 285.416 3.948 30 20 CHED C=C(C)CCNC(=O)N1CC2(CCCC2)[C@H]1C(C)C 459008712 UNMKXBBGJLYEDX-CQSZACIVSA-N 264.413 3.563 30 20 CHED C=CCC[C@H](CO)N[C@H](CC)c1ccc(Cl)s1 453357639 NKFCQVLJGHBBKD-GHMZBOCLSA-N 273.829 3.769 30 20 CHED C=CCN(C(=O)[C@@H](C)c1cccc(F)c1)C(C)(C)C 622944472 UHISQUPFZBUIKB-LBPRGKRZSA-N 263.356 3.742 30 20 CHED C=C(CC)CNC(=O)c1c(Cl)c2ccccc2n1C 456830405 RBMYCRQUCDZJLW-UHFFFAOYSA-N 276.767 3.528 30 20 CHED C=CCN(CC1CCCCC1)CC1CCC(=O)CC1 450408263 SMLIFFIBTASRGG-UHFFFAOYSA-N 263.425 3.814 30 20 CHED N#Cc1cc(C(=O)N(CC2CC2)c2ccccc2)ccc1F 548420025 AWVNYHYJSGMTHW-UHFFFAOYSA-N 294.329 3.754 30 20 CHED CCC[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1ccccc1 457493936 WMMJJMWMJQTZNK-OAHLLOKOSA-N 287.407 3.719 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCC(C)(C)CC#N 458578046 HPCBNSCAZCNLDY-CJNGLKHVSA-N 299.418 3.549 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N(C)c2ccccc2C#N)cc1 272613095 SCZHODBWONAXLN-OAHLLOKOSA-N 292.382 3.708 30 20 CHED C=CCC1(C(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C)CCCC1 452908022 DCQNFIIQWGSZPS-HOTGVXAUSA-N 295.467 3.528 30 20 CHED Cc1noc(C)c1-c1ccc(OC(=O)CC(C)(C)C#N)cc1 278900724 YNWNKMDJIREYMX-UHFFFAOYSA-N 298.342 3.804 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CSc2ccccc21 540490904 ZKIRHGSPLHOEGY-GXTWGEPZSA-N 290.432 3.877 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1c1ccc(C)cc1 370432019 AAYGKVMZBPPLKM-QGZVFWFLSA-N 284.403 3.645 30 20 CHED C=CCCCCNC(=O)c1cnn(CC(C)C)c1C1CC1 274484148 PKXSUJCIUBVAJC-UHFFFAOYSA-N 289.423 3.503 30 20 CHED CN(Cc1ccccc1OC(F)(F)F)[C@H]1CC[C@H](C#N)C1 278534058 FNAHFPIWEAILRY-AAEUAGOBSA-N 298.308 3.709 30 20 CHED C=CCC[C@@H](C)Nc1ccc(Cl)c(N2CCNC2=O)c1 467418117 IVLWFYJCQYMFLP-LLVKDONJSA-N 293.798 3.636 30 20 CHED C[C@@]1(CNc2c(Cl)cccc2C#N)CCO[C@H]1C1CC1 466617894 KLNYVVNVTWTGFY-HOTGVXAUSA-N 290.794 3.829 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2ccccc2s1 467869613 XVGUBVMQNOZZNJ-AWEZNQCLSA-N 260.362 3.837 30 20 CHED C=C[C@@H](CC(=O)N[C@@H]1CCC1(C)C)c1ccccc1 286688103 KSGRGZJZSOUNAQ-DZGCQCFKSA-N 257.377 3.651 30 20 CHED CCCc1ccc([C@@H](NC(=O)[C@H](C)C#N)C(C)C)cc1 468174813 URJFTEIATYPSFH-CJNGLKHVSA-N 272.392 3.612 30 20 CHED Cc1csc([C@H](C)CNc2nc(Cl)c(C#N)s2)n1 286509833 BFTDQTZVPTXUJH-ZCFIWIBFSA-N 298.824 3.649 30 20 CHED Cc1cc(C)cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 461726308 FITNUYZTXWSROL-AWEZNQCLSA-N 278.355 3.917 30 20 CHED C=CCC[C@H](N[C@@H](CO)Cc1ccc(C)cc1)c1ccco1 552283862 LSCLDPGSJAGTGA-MSOLQXFVSA-N 299.414 3.789 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N(C1CC1)C1(C#N)CCC1 551655688 XHBVAVUUNWGAMY-INIZCTEOSA-N 296.414 3.693 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccc(C)cc1Cl 556901778 GHGJXJRWXIGYEU-UHFFFAOYSA-N 286.824 3.920 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@H](C)c1cccc(Cl)c1 464756240 JUGSOLWIXZAZGW-WDEREUQCSA-N 266.772 3.617 30 20 CHED C=C(C)[C@H](N[C@H](C)c1noc(C)n1)c1ccc(F)c(F)c1 289312005 CURCFMXCESULJI-OTYXRUKQSA-N 293.317 3.624 30 20 CHED Cc1ccccc1[C@H](NCc1ccc(C#N)cn1)C1CC1 554365243 DLUNBNYYBIUWLJ-GOSISDBHSA-N 277.371 3.503 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C)c1 556395514 QICKSGZVMCEJFN-CZUORRHYSA-N 271.360 3.792 30 20 CHED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)CCC1 283534417 HVBMOQNQBVGZBN-BJWYYQGGSA-N 294.398 3.617 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2ccc(C)s2)no1 289019092 FJQQGZRWBHCRPP-LLVKDONJSA-N 278.377 3.684 30 20 CHED CC(=O)CC(C)(C)CC(=O)Nc1ccc(C#N)cc1Cl 637027075 YTAVDXDBOFKCFD-UHFFFAOYSA-N 292.766 3.546 30 20 CHED N#Cc1ccc(C2=CCN(c3cccc(Cl)n3)CC2)cc1 800861499 PCNHQZCLCHAOFW-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H](C(C)(C)C)C1 478444722 GOPWTAAMMDMVDU-AWEZNQCLSA-N 274.408 3.572 30 20 CHED COc1ccc(Cl)c(CSCCO[C@H](C)C#N)c1 802750736 CFVAMRCGQVZXMX-SNVBAGLBSA-N 285.796 3.510 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCCSC1 807723937 UVEZTUXWQFWJGK-CYBMUJFWSA-N 257.443 3.606 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1scc(C)c1C#N 297923123 XXVCTYGJGVYNOH-QWRGUYRKSA-N 262.378 3.693 30 20 CHED C=CCOCCCN(Cc1ccccc1)[C@@H](C)C1CC1 470722999 LQHXQRASPWZJHA-INIZCTEOSA-N 273.420 3.880 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc([C@H]2CCOC2)cc1 294214304 OLYKBHSPTBRUPJ-YOEHRIQHSA-N 273.376 3.731 30 20 CHED CC#CCCCc1nc([C@H](C)c2ccccc2C)no1 563894387 OIQODVRKKOUJAH-CQSZACIVSA-N 268.360 3.876 30 20 CHED C=CCCCCSc1n[nH]c(-c2ccccc2O)n1 568951084 BBEGFFLNWDBZOB-UHFFFAOYSA-N 275.377 3.626 30 20 CHED C=CCSCCN[C@@H]1CC(C)(C)c2cc(OC)ccc21 474034206 LKNCULZHMNVITI-MRXNPFEDSA-N 291.460 3.926 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(C(=O)CC)c1 292775869 LPTZZCTWPYYDBQ-UHFFFAOYSA-N 259.349 3.820 30 20 CHED COc1cc(Cl)c(N[C@@H]2CC[C@H](C#N)C2)cc1C 808722750 FVDHGDWQOPMTSM-WDEREUQCSA-N 264.756 3.761 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cccc(Cl)c1OC(C)C 806284573 ZPWJQTJIUFEHPN-NSHDSACASA-N 294.782 3.661 30 20 CHED CCCCCCC(=O)N[C@@H](C#N)c1ccc(CC)cc1 809258208 NUDFSNRTIPIWGI-INIZCTEOSA-N 272.392 3.900 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCCC=C(C)C 479846237 BHBDIEQACFEDBC-UHFFFAOYSA-N 286.419 3.783 30 20 CHED Cc1cc(C)c(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)o1 647378350 QDVAQGUYJFCBTC-NSHDSACASA-N 286.356 3.720 30 20 CHED CC[C@H]1CN(c2c(C#N)cnc3ccccc23)C[C@@H](CC)O1 398419077 BNDCMAIOAXFMFM-GASCZTMLSA-N 295.386 3.500 30 20 CHED C[C@H](N(C)c1ccc(C(F)(F)F)c(C#N)n1)C(C)(C)C 569894025 HQPJKMKPBCJXOK-VIFPVBQESA-N 285.313 3.843 30 20 CHED C=CC[C@H](C)NC(=O)CCSc1cccc(Cl)c1 486397724 SIJIKHVSFMVMCQ-NSHDSACASA-N 283.824 3.903 30 20 CHED O=[N+]([O-])c1c(Cl)cc(Cl)cc1C=NOCC1CC1 814244184 HRWLVKTVQGPHRY-UHFFFAOYSA-N 289.118 3.662 30 20 CHED C=CCCC[C@@H](C)NC[C@H](O)c1ccc(Cl)c(F)c1 819209902 NQUIVFUDHFGTNK-ABAIWWIYSA-N 285.790 3.847 30 20 CHED c1ccc(CN2C[C@H]3CCCC(=NOC4CCC4)[C@@H]3C2)cc1 812237200 PATNFJLQQNQWNC-SJLPKXTDSA-N 298.430 3.844 30 20 CHED C=C[C@@H]1CCCCN1c1nc(C(F)(F)F)cs1 486490057 RTABLUWCMKIWMV-MRVPVSSYSA-N 262.300 3.707 30 20 CHED C=CCCCCNC(=O)N[C@@H](C1CCCC1)C(F)(F)F 481348132 PZPGNBXYVWRGHU-LBPRGKRZSA-N 292.345 3.763 30 20 CHED CC(C)CN(CCC#N)C[C@@H](C)COCc1ccccc1 719590863 GCLCAJLOSDSTPO-QGZVFWFLSA-N 288.435 3.711 30 20 CHED CC#CCCNC(=O)N[C@H](c1ccccc1Cl)C(C)C 483064314 VGJTXIIFPKVPIS-HNNXBMFYSA-N 292.810 3.750 30 20 CHED CSC(C)(C)CC=NNc1cccc([N+](=O)[O-])c1C 814833207 AOMYLQANOIQDCX-UHFFFAOYSA-N 281.381 3.833 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 480783594 CMNBCDKUGZNMTQ-CZUORRHYSA-N 281.334 3.841 30 20 CHED COC(=O)c1ccc(Cl)c(/C=C/c2ncccc2C#N)c1 486104765 UQCNUAUZDDCCKI-FNORWQNLSA-N 298.729 3.564 30 20 CHED N#C[C@]1(C(=O)Nc2nccc3sccc23)CC12CCCC2 577468067 YBKYCDJLXNMUON-INIZCTEOSA-N 297.383 3.709 30 20 CHED C/C=C(\CC)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813217798 PDOIQFAGQQUNQP-DKSFEKEHSA-N 282.265 3.633 30 20 CHED N#CCCOCCN[C@@H](c1ccccc1)C1CCCCC1 815077856 HBBBZWBBYISZIS-SFHVURJKSA-N 286.419 3.828 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(C)o1 812242359 VETCMCJABABERF-GQCTYLIASA-N 260.264 3.632 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1ccccc1F 815311100 XUHFDWXOBVXJLF-VIFPVBQESA-N 258.239 3.641 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)N1CCC(CC#N)CC1 574633558 USVVGARPKUPDQT-AWEZNQCLSA-N 291.439 3.681 30 20 CHED C=CCCCCCN[C@H](COC)c1ccc(F)c(F)c1 488161011 ALLNQVCCNOXISN-MRXNPFEDSA-N 283.362 3.988 30 20 CHED N#CCC[C@@H](C#N)CN[C@@H]1C[C@H]1c1cccc2ccccc12 579070421 MCCMFSMKALJCBP-ZOCIIQOWSA-N 289.382 3.729 30 20 CHED Cc1nc(NCC[C@]2(C)CC2(Cl)Cl)ccc1C#N 829063304 QUCHCZCGSSKQLV-GFCCVEGCSA-N 284.190 3.648 30 20 CHED N#Cc1ccc(Sc2nnc(-c3ccccc3)s2)nc1 729986863 CJYYQQNBTUMGAM-UHFFFAOYSA-N 296.380 3.623 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 822406330 INQPBLNPJVMUHG-CRAIPNDOSA-N 299.414 3.739 30 20 CHED C[C@]1(CNC2(c3cccc(C#N)c3)CC2)CC1(Cl)Cl 828691384 BWYVZVMZAFADRK-CYBMUJFWSA-N 295.213 3.721 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 823284537 QDTLKQDPULCCPW-UONOGXRCSA-N 270.376 3.680 30 20 CHED C=CCN(Cc1nc2c(F)cccc2n1CC)C(C)C 728569561 MHKBSIQXCOIYCN-UHFFFAOYSA-N 275.371 3.592 30 20 CHED C=CCOc1ccccc1C(=O)N(C)Cc1cccc(C)c1 496740002 SBFXHZOJPWDAAE-UHFFFAOYSA-N 295.382 3.832 30 20 CHED C=CCN(C(=S)N[C@@H](C)c1cccs1)C(C)C 726473778 POFOFCKOLYQPRF-NSHDSACASA-N 268.451 3.580 30 20 CHED C/C(=C\C(=O)N[C@H](C#N)CC(C)C)c1ccccc1Cl 727383397 RKKZPZRFVBMACT-SRXBQZRASA-N 290.794 3.798 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)c(C(F)(F)F)c1 589514755 KQRCMFPVYLYFIQ-IUODEOHRSA-N 294.320 3.951 30 20 CHED C=CCC[C@H](NCc1ccc2nonc2c1)c1ccco1 903324160 HSJRPVLKZMYYNF-AWEZNQCLSA-N 283.331 3.613 30 20 CHED CCC(CC)[C@@H]1C[C@H](NC(=O)CCCCCC#N)CCO1 588163203 DRHMSTGEZPCYHW-CVEARBPZSA-N 294.439 3.560 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1 497957845 ZIDQKYSNWSIWHT-JKIFEVAISA-N 287.403 3.806 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N1CCc2c(C#N)cccc21 823096665 KZINJGFNCWRRLA-AWEZNQCLSA-N 290.366 3.560 30 20 CHED CC[C@H](N[C@@H](C)CCSC)c1cccc(C#N)c1 902808948 ONDFGHWNEPDPEH-WFASDCNBSA-N 262.422 3.741 30 20 CHED Cc1ccc(-n2cc(N[C@@H]3CC[C@H](C#N)C3)cn2)c(C)c1 580031607 UJVPUMIEQVHHCV-LSDHHAIUSA-N 280.375 3.593 30 20 CHED C=CCCCCCN(C)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 735408219 IBFZDAHVZINRQS-CQSZACIVSA-N 299.422 3.606 30 20 CHED Cc1ccc(-c2ccc(C(=O)O[C@@H](C)C#N)c(F)c2)cc1 730350753 MDFRWCURLUNICE-LBPRGKRZSA-N 283.302 3.870 30 20 CHED C=CCc1cc(CN2C[C@@H]3CCCC[C@@H]32)cc(OC)c1O 668299366 BOQXUMHGLVSQBE-HOTGVXAUSA-N 287.403 3.504 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@H](C)c2ccccc21 582809068 FFEKSBJLFXTKBT-JFTQMJAMSA-N 271.404 3.806 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(F)c(F)c(F)c2)C1 666165919 AJWBBULRRQMXKT-SNVBAGLBSA-N 298.308 3.924 30 20 CHED C[C@@H](C/N=C\c1cc2ccccc2nc1O)c1nccs1 588435161 HVLHUBBEDBTWDT-MTUBTWAWSA-N 297.383 3.620 30 20 CHED CCc1nocc1/C=C1\COc2cc(C)cc(C)c2C1=O 834416983 AAHDYNOLDDXDGG-NTUHNPAUSA-N 283.327 3.513 30 20 CHED C#CCOc1ccc(NC(=O)c2cccc(C)c2C)cc1 730979721 BYCHRMQTDXUVTQ-UHFFFAOYSA-N 279.339 3.568 30 20 CHED C#CC[C@@H](N[C@H](CC)c1ccncc1)c1ccccc1 834692473 CBTOANHEYUQARY-QZTJIDSGSA-N 264.372 3.887 30 20 CHED N#C[C@]1(C(=O)OCCCc2ccccc2)CC12CCCC2 837909795 XQRNVKHLMAVGCT-SFHVURJKSA-N 283.371 3.636 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc(-c3cnco3)cc2)C1 906525370 MKBYJERLGNORNS-HOCLYGCPSA-N 281.359 3.514 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@@H]1CCC[C@H]1CC 835337737 QBFYNHDDRQVNLF-IIAWOOMASA-N 268.397 3.585 30 20 CHED C=CCOc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1Cl 582927818 YBYOBZOKSPGAGS-JQWIXIFHSA-N 287.737 3.648 30 20 CHED C=C(C)CN(CC)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 733609569 DCLIPQXKMYVNIG-HNNXBMFYSA-N 296.455 3.532 30 20 CHED CC(C)(C)CCCCC(=O)N1CCC[C@@](C)(C#N)C1 588000119 JSYPVRVCSRXIHJ-INIZCTEOSA-N 264.413 3.745 30 20 CHED CCCc1ccc(C(=O)/C=C/c2nc(C)c(C)[nH]2)cc1 901438376 HQDZDTYDODLEAC-ZHACJKMWSA-N 268.360 3.875 30 20 CHED CC(C)(C#N)CCN1CCC(Nc2ccc(F)cc2)CC1 580108124 HWHZAEFGEOITCG-UHFFFAOYSA-N 289.398 3.642 30 20 CHED C=CCC[C@H](NC1CCN(CC(F)F)CC1)c1ccco1 671744836 MUEUIZJPXUGSCY-AWEZNQCLSA-N 298.377 3.606 30 20 CHED C=C(CNC(=O)C[C@H](CC)C(C)C)c1ccccc1 672479536 AGKWCVJJNRQNDY-HNNXBMFYSA-N 259.393 3.888 30 20 CHED N#Cc1ccccc1OCCOC(=O)/C=C\C1CCCCC1 735561906 KCMYBWVNRIVPDU-KHPPLWFESA-N 299.370 3.617 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839061425 CZVAPUDFOKCZCT-KBPBESRZSA-N 286.375 3.753 30 20 CHED C/C(=C/C(=O)Nc1cccc(CC#N)c1)C(C)(C)C 837072211 SCKBMEDBGNTBRG-BENRWUELSA-N 256.349 3.684 30 20 CHED CC(C)CCCCC(=O)N(CCC#N)CC(C)C 837368996 LNAGBBDQVPJADE-UHFFFAOYSA-N 252.402 3.601 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2nc(C(C)C)no2)CCCC1 838279145 HXJSOLQMEQHKGR-LBPRGKRZSA-N 292.379 3.934 30 20 CHED C[C@H](C=NOCCC1CC1)c1cc(F)cc(F)c1 834982071 LWFUPLRREMZRKD-SNVBAGLBSA-N 253.292 3.871 30 20 CHED C#CCN(C(=O)/C=C\c1ccsc1)C1CCCCC1 743689947 QYDNSRXBKQYSOS-HJWRWDBZSA-N 273.401 3.556 30 20 CHED C=C(Cl)COC(=O)C1(c2cc(C)cc(C)c2)CC1 917312072 JRGJVSPYLUCUGE-UHFFFAOYSA-N 264.752 3.631 30 20 CHED C#CCN(C[C@@H]1CC1(Cl)Cl)[C@@H]1CCc2ccccc21 747528829 OTHMVQQRWVYVEK-DZGCQCFKSA-N 294.225 3.803 30 20 CHED C/C=C/C=C\C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 916828742 SPXJTGIFQGNFFN-WRGWHIHZSA-N 286.400 3.815 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 917304655 BZSGNRQOCVHNQX-SECBINFHSA-N 289.158 3.880 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)C1CCCC1 679326603 ZECASVZONJHBFU-AWEZNQCLSA-N 275.392 3.663 30 20 CHED CC/C(=C\C(=O)N(CC)CCC#N)c1ccc(C)cc1 744348598 VESCNQVRELORGW-FYWRMAATSA-N 270.376 3.551 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)[C@H](C)c1ccc(C)cc1C 845639531 QUCKDUSBXCTMPK-ZIAGYGMSSA-N 276.380 3.512 30 20 CHED CC(=NNC(=S)N[C@@H]1CCCC[C@@H]1C)c1ccsc1 749098715 GVDOPDNBFNCWTA-GXFFZTMASA-N 295.477 3.515 30 20 CHED CC(C)c1cccc(C(=O)N(C)Cc2ccc(C#N)cc2)c1 596745314 YMMVBYMVANKOKX-UHFFFAOYSA-N 292.382 3.954 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)C(C)(C)C 846876635 WBAGAFILCZUYNY-UONOGXRCSA-N 286.419 3.535 30 20 CHED CC[C@H](NC(=O)C#Cc1ccccc1)c1ccc(F)cc1F 747399487 QUKAMMXXMVTSLP-KRWDZBQOSA-N 299.320 3.584 30 20 CHED CC[C@@H]1CCC[C@@H](/N=C\c2cccc(OC)c2O)C1 740764027 WGEBVFWIHBXOLL-NJPOPAGRSA-N 261.365 3.789 30 20 CHED FC(F)(F)c1cc(NN=C2CCOC2)ccc1Cl 844606995 LHCQCJFYWSCJLA-UHFFFAOYSA-N 278.661 3.547 30 20 CHED CC(C)(C)CCCCC(=O)N1CCC[C@H](CC#N)C1 597901166 SNMMWICUDPRYAG-CQSZACIVSA-N 264.413 3.745 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCCC1CC1 591316421 PXOBODILBVNHGQ-QGZVFWFLSA-N 282.387 3.632 30 20 CHED Cc1cc(C=NNc2cccc([N+](=O)[O-])c2)c(C)n1C1CC1 916269019 LYQKITDDYWMXIT-UHFFFAOYSA-N 298.346 3.794 30 20 CHED Cc1nc([C@@H](C)ON=Cc2ccc(C(C)(C)C)cc2)no1 842018567 QIYQCZOQLLUXKI-LLVKDONJSA-N 287.363 3.787 30 20 CHED C[C@@H]1c2ccccc2CCN1c1nc(C#N)c(Cl)s1 596149783 QXCAEVDOKHMDIV-SECBINFHSA-N 289.791 3.792 30 20 CHED COCCON=C(C)C(c1ccccc1)c1ccccc1 748788311 CZILPGUYIRVSJS-UHFFFAOYSA-N 283.371 3.857 30 20 CHED C=CCC1(NC(=O)Nc2cc(C#N)ccc2OC)CCCC1 596706829 ASIMJDVMAKUTJJ-UHFFFAOYSA-N 299.374 3.577 30 20 CHED CC(C)[C@@H]1CCCCC1=NNc1ncc(Cl)cn1 857221178 WQALZBDWUFSWGT-NSHDSACASA-N 266.776 3.744 30 20 CHED COc1cccc(NN=C2CCc3c(cccc3OC)C2)c1 754922788 LOXYMAVOEZTRIR-UHFFFAOYSA-N 296.370 3.661 30 20 CHED Clc1ccc(Cl)c(NN=Cc2cccnc2)c1 751895893 WFLMSDPCYUVEKT-UHFFFAOYSA-N 266.131 3.834 30 20 CHED Cc1cccc2c1[C@@H](NCc1cccc(C#N)c1)CC2 924639817 NFXVIHQZKFRCKE-KRWDZBQOSA-N 262.356 3.644 30 20 CHED CCCCCCCCOCC(=O)N1[C@@H](C)CC[C@H]1C 757794688 DKRRJCVNWYKEDH-GASCZTMLSA-N 269.429 3.763 30 20 CHED C[C@H](NC(=O)N1[C@@H](C)CCC1(C)C)c1cccc(C#N)c1 920996857 RBERVPUQZHHCOG-STQMWFEESA-N 285.391 3.592 30 20 CHED Cc1cc(C)nc(NN=C2CC[C@H](C)c3ccccc32)n1 752713726 SWJKVPYKUMRRRN-NSHDSACASA-N 280.375 3.807 30 20 CHED CN(C)c1ccc(Cl)cc1N=Cc1ccccc1O 920944448 XNLFQEJTCFMWEZ-UHFFFAOYSA-N 274.751 3.862 30 20 CHED COc1ccc(NN=C2CCc3ccc(OC)cc3C2)cc1 752735224 MSMLMPAVLIRRNN-UHFFFAOYSA-N 296.370 3.661 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(N(C)CC)cc1 853007031 NEVPLRDGSJHZKN-KHPPLWFESA-N 297.402 3.645 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ccnc(O)c1 926590839 GVIWLMQFUQTRCY-PBHICJAKSA-N 282.387 3.625 30 20 CHED Cc1cc(COC(=O)C[C@H](CC#N)c2ccccc2)ccn1 856935405 UQXWORCJJNLQBW-KRWDZBQOSA-N 294.354 3.521 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCc1csc(C2CC2)n1 924395213 OERJGMZBUIJOCO-UHFFFAOYSA-N 298.367 3.558 30 20 CHED C#CC[C@@H](NC(=O)c1cc(C)sc1C)c1ccccc1 757581190 WDCKWVUWTLVDGT-MRXNPFEDSA-N 283.396 3.859 30 20 CHED C#C[C@@H](CC)NC(=O)CC1CCC(c2ccccc2)CC1 754357405 LFMGTODRQGHLPK-VJFUWPCTSA-N 283.415 3.879 30 20 CHED C[C@H](CC(=O)OCc1cccc(C#N)c1F)c1ccco1 859813280 JIBNQUGBGKXOOV-LLVKDONJSA-N 287.290 3.527 30 20 CHED C[C@@H](C=NNc1nncc2ccccc12)c1ccc(F)cc1 756870472 KRURUJDTHMPMHU-LBPRGKRZSA-N 294.333 3.970 30 20 CHED N#CCc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1 758696332 NFDOZDLATZSONY-UHFFFAOYSA-N 285.730 3.763 30 20 CHED C[C@]1(C#N)CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 853476803 TXLRTXZYGXGVBP-CQSZACIVSA-N 295.289 3.662 30 20 CHED C=CCC1(NC[C@@H](O)c2c(F)cccc2F)CCCCC1 859745332 JNCPMPXAPBEQBM-OAHLLOKOSA-N 295.373 3.867 30 20 CHED CCCCCCCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] 755147280 NNLFLXRIXZHAMN-UHFFFAOYSA-N 292.379 3.994 30 20 CHED CC[C@@H]1CCC[C@@H]1NCc1ccc(O[C@H](C)C#N)cc1 756901329 ITYLYXQEWFOLAB-UNEWFSDZSA-N 272.392 3.646 30 20 CHED COC(=O)c1oc(/C=C2/CCCC(C)(C)C2=O)cc1C 853004335 BSKGXZIYRZOOKK-LUAWRHEFSA-N 276.332 3.537 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1c[nH]c2cc(Cl)ccc12 756014779 SSZIEERDBQPFPR-SNVBAGLBSA-N 277.751 3.872 30 20 CHED N#Cc1c(Cl)cccc1NCc1cccc(F)c1 47848214 WXPIPHKHCLYZAC-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CC[C@H](NC(=O)N[C@H]1CCC[C@@H]1CC)c1ccncc1 757207558 IKAZYUKOWBIIHK-BPUTZDHNSA-N 287.407 3.577 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCCc3ccccc32)n1 51632627 NZKMKPZVOXKAIY-MRXNPFEDSA-N 263.344 3.751 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ncc(C(C)C)s1 933597204 ADEHXCPCVNGULI-UHFFFAOYSA-N 285.372 3.699 30 20 CHED CCCn1cc(/C=C/C(=O)c2cc(C)c(C)cc2C)nn1 865215083 IXNBGCGLSNWGSB-VOTSOKGWSA-N 283.375 3.509 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2)cc1C 765825570 PXYNSTPRNRHOMO-VQHVLOKHSA-N 280.323 3.898 30 20 CHED C[C@@H]1CCC[C@@H](C=NNCc2ccc(F)c(F)c2)C1 768361786 WPCACSIFNHNYKI-VXGBXAGGSA-N 266.335 3.867 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)C1 865890630 XJYRXBQQJSOVRJ-DTWKUNHWSA-N 281.262 3.637 30 20 CHED CCCCCCCC(=O)Nc1cnc(C(=O)OCC)s1 769994880 CJWWEGKBIOFNEV-UHFFFAOYSA-N 298.408 3.619 30 20 CHED N#Cc1cc(Cl)nc(NN=C[C@H]2C[C@@H]2c2ccccc2)c1 768376147 RCCXMYKODYAPSL-ZIAGYGMSSA-N 296.761 3.808 30 20 CHED COc1ccccc1C=NOCc1ccc(C)c(C)c1 762189783 MFPJCQANDAJMTE-UHFFFAOYSA-N 269.344 3.863 30 20 CHED CCC(CC)CN(CCC#N)Cc1c(O)cccc1OC 769335958 XZLASAOVIXHXRY-UHFFFAOYSA-N 290.407 3.553 30 20 CHED C#CCCCSc1nnc(NC2CCCCC2)s1 766283597 CAHQUHDJMMCMQP-UHFFFAOYSA-N 281.450 3.788 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc(OC(F)F)cc1 878019163 RQWCKRVZZQAFEH-UHFFFAOYSA-N 283.318 3.507 30 20 CHED C=CCCCOC(=O)c1cnn(C2CCCCC2)c1 1116088553 MQSAQNATWCSHAT-UHFFFAOYSA-N 262.353 3.511 30 20 CHED C#CCCCCCC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 779902088 BHCYNOBKYYMDBD-HKUYNNGSSA-N 299.414 3.607 30 20 CHED N#C[C@@H](OC(=O)/C=C/c1ccccc1F)C1CCCCC1 776363697 GFBWZCXGRPCJKK-SIFUEBAJSA-N 287.334 3.855 30 20 CHED C#CCCCCCC(=O)N1CCCCc2ccc(OC)cc21 779984764 VMTPOJHOSGTQFM-UHFFFAOYSA-N 299.414 3.948 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)[C@@H](O)c1cccc(F)c1 773045166 YGGRBFUWPFVYNU-XOKHGSTOSA-N 279.399 3.972 30 20 CHED COC[C@@H](C)NN=Cc1cc(C)n(C2CCCCC2)c1C 777901412 KYRFEUYMTOHVEU-CYBMUJFWSA-N 291.439 3.569 30 20 CHED Cc1nsc(NCCc2c(F)cccc2Cl)c1C#N 1117259600 WOIVWRGLXUBFII-UHFFFAOYSA-N 295.770 3.770 30 20 CHED C=CCn1cnnc1SCC[C@H]1CCC[C@@H](C)C1 1116931759 GPMUHOUXWTZJFA-CHWSQXEVSA-N 265.426 3.773 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2cccc(F)c2C#N)s1 777581586 WPYRRKBGNVNGGJ-JTQLQIEISA-N 288.347 3.558 30 20 CHED CC(C)CC[C@H]1CCCC1=NNc1cc(Cl)nc(N)n1 778544635 HVGJMQWCXIQQOS-SNVBAGLBSA-N 295.818 3.716 30 20 CHED Fc1ccc(/C=C\C=NNc2cc(Cl)ccn2)cc1 777906262 HGGHLBSYOQGPHW-QVQFVAASSA-N 275.714 3.985 30 20 CHED C=CCC1(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CCC1 1116771334 PQKMJIZHPRFXFE-LSDHHAIUSA-N 261.409 3.772 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(C#N)cc2F)c1 772838267 HSMBVKMQGLHDRH-UHFFFAOYSA-N 267.307 3.760 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccc(F)c(C#N)c1)C2=O 770572747 JHROQRKNHQKOSZ-ZSOIEALJSA-N 293.297 3.665 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(OC)c1OC 889493139 MJMFQFSGVLSXRE-LBPRGKRZSA-N 292.379 3.570 30 20 CHED CCC(C)(C)CC(=O)OCC#Cc1ccc(F)cc1 771359462 BWRCTMFCSNZMNL-UHFFFAOYSA-N 262.324 3.547 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1ccc(F)cc1F 776202574 MDSKUJYPIXBRBY-JTQLQIEISA-N 284.375 3.996 30 20 CHED Cc1ccc(N(C)C(=O)[C@@H](CC#N)c2ccccc2)cc1C 1125602551 YISBWBSYQLLPRB-SFHVURJKSA-N 292.382 3.964 30 20 CHED C=C/C=C\CCON=C(C)c1ccc(NC(C)=O)cc1 882949875 KZEFYUCLOJABEQ-GOQRIPDPSA-N 272.348 3.518 30 20 CHED CC(=NOC1CCCC1)c1nc2ccccc2s1 774597724 WWHWYFMTQWPEPB-UHFFFAOYSA-N 260.362 3.980 30 20 CHED COc1ncc(C(C)=NNc2cccc(F)c2)cc1Cl 789000309 GSTQTSMSNQGKRV-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C=CC(C)(C)CC(=O)N1Cc2ccccc2[C@H](C)C1 881459976 NWFPENRJMXVHBJ-CYBMUJFWSA-N 257.377 3.735 30 20 CHED CC(=NNc1cccc(C#N)c1)c1cnn(C(C)(C)C)c1C 787151593 IENSMTIEGHHTCA-UHFFFAOYSA-N 295.390 3.654 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(N3CCCCC3)c(F)c2)C1 883372011 IHIQALCVVYXDKJ-ZIAGYGMSSA-N 287.382 3.920 30 20 CHED Cc1cc(COC(=O)Cc2ccccc2Cl)ccc1C#N 782611612 SFVFQCOYDQIUOV-UHFFFAOYSA-N 299.757 3.806 30 20 CHED CCCCCCCCn1cc2c(c(C#N)c1=O)CCC2 783122923 IYNWOZDIMAVTMJ-UHFFFAOYSA-N 272.392 3.569 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1ccc(Cl)s1 785769482 RDAWMCWRFJKGCN-CYBMUJFWSA-N 286.780 3.730 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc(-c3ccco3)s2)C1 1122716840 AESYMLJDIBQLAG-MNOVXSKESA-N 287.340 3.857 30 20 CHED N#C[C@@]1(C(=O)Nc2c[nH]c3ccccc23)CC12CCCC2 888115526 WKASAOCHYHADKG-QGZVFWFLSA-N 279.343 3.580 30 20 CHED CC(=NN1Cc2ccccc2C1=O)c1csc(Cl)c1 787161700 FFGXWJPETJHKJW-UHFFFAOYSA-N 290.775 3.782 30 20 CHED C=C1CC(c2noc(CSCc3ccc(C#N)cc3)n2)C1 896884501 NUQUKVYRGFRBPW-UHFFFAOYSA-N 297.383 3.808 30 20 CHED C=CCOc1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1 780188257 MUIFKRVVEYLSGY-OQLLNIDSSA-N 292.334 3.779 30 20 CHED CCCCC[C@](C)(CC)C(=O)NCC(C)(C)C#N 781003442 VJIBHNLABXRJRZ-HNNXBMFYSA-N 252.402 3.649 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1ccc(N(C)C)cc1 899343380 VDSUITUXOCYEOU-ZHACJKMWSA-N 284.359 3.508 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc(Cl)c(F)c1 785668854 YOSAKPSKYCVFGP-JTQLQIEISA-N 286.730 3.504 30 20 CHED C#C[C@@H](OC(=O)[C@H]1CCOC2(CCC2)C1)c1ccc(C)cc1 893251927 ZFSPSGIHFVTPSX-DLBZAZTESA-N 298.382 3.562 30 20 CHED Cc1ccc(NC(=S)N2CCC[C@](C)(C#N)C2)c(C)c1 783774503 WYBLLOLVSVWHBE-MRXNPFEDSA-N 287.432 3.626 30 20 CHED C=C(C)COc1cccc(NC(=O)/C(=C/C)CC)c1 788785823 GFCAYAONBHSVKV-WLRTZDKTSA-N 259.349 3.936 30 20 CHED C[C@@H](NCc1nc(Cl)cs1)c1cccc(C#N)c1 1474706160 YOHMDJONYRJRJQ-SECBINFHSA-N 277.780 3.519 30 20 CHED N#Cc1ccc(C(=O)NCCC2CCC(F)(F)CC2)s1 890061276 GCECFRBSBXHRNH-UHFFFAOYSA-N 298.358 3.565 30 20 CHED CC(C)C[C@@H](C)C=NNc1ncnc2ccsc12 799112600 XEVLAYCTKQGMST-SNVBAGLBSA-N 262.382 3.771 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc(C)cc1 796799432 BYURWHNRBCCLHR-CQSZACIVSA-N 269.300 3.768 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNCCC(F)(F)F 794551118 BPGPJGANDAKSAK-VHSXEESVSA-N 250.308 3.731 30 20 CHED FCC[C@H]1CCCC1=NNCc1ccc(Cl)cc1 794917706 IBXSPFRWGGXFQQ-GFCCVEGCSA-N 268.763 3.945 30 20 CHED C#CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)C1CCCCC1 688892948 LTZACABEBOYLTA-HUUCEWRRSA-N 261.409 3.607 30 20 CHED Cc1ccnc(NN=Cc2cscc2Br)c1 794919189 QNCNNJPZKXSPDU-UHFFFAOYSA-N 296.193 3.660 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C\c1cccc(F)c1)C2 794961655 QTJNLSAFEONFSC-MLPAPPSSSA-N 298.313 3.665 30 20 CHED CC[C@H](C)[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)OC 1206376515 ILPZOHSWUQIBNN-ZQIUZPCESA-N 274.408 3.612 30 20 CHED CCN(Cc1ccc2ccccc2c1)C[C@@H](C)C#N 193501984 ZREGYJUYFYBUDT-AWEZNQCLSA-N 252.361 3.821 30 20 CHED FCC[C@H]1CCCC1=NNCc1cc(F)ccc1F 794895587 FNDAAPJVZJYSJW-SNVBAGLBSA-N 270.298 3.570 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c1 1206306323 YVQHDKWRIWCQBZ-JKSUJKDBSA-N 297.402 3.957 30 20 CHED C#C[C@@H](NC(=O)c1oc2c(C)ccc(C)c2c1C)C(C)C 799046691 JJRNSOZWZZPEQK-CQSZACIVSA-N 283.371 3.746 30 20 CHED C=CC1CCN(Cc2nc(Cl)ccc2Cl)CC1 766781112 KBZMIXTZKVOFKW-UHFFFAOYSA-N 271.191 3.786 30 20 CHED C#Cc1ccc(COC(=O)C[C@@H](C)c2c(C)noc2C)cc1 1343502438 JDMSNHXHABSMJG-GFCCVEGCSA-N 297.354 3.510 30 20 CHED COc1ccc(C#N)cc1CN1CCc2c(Cl)cccc21 1307558443 QCNQEFVQBBWEJM-UHFFFAOYSA-N 298.773 3.783 30 20 CHED C[C@@H]1CC(=NNc2ccccc2Cl)CC[C@@H]1C(=O)O 1324915283 WVNIZUGBCXVUEQ-KOLCDFICSA-N 280.755 3.629 30 20 CHED C[C@H]1CN(C(=O)CC#Cc2ccccc2)c2ccccc21 1328775883 KIHCBTDUQWAUGK-HNNXBMFYSA-N 275.351 3.579 30 20 CHED Cc1cccc(CNCC(C)(C)CC#N)c1Br 1178922239 SWEGSLNGHCBPEP-UHFFFAOYSA-N 295.224 3.787 30 20 CHED CCC[C@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccccn1 1171528159 IIZBDTTZPQHQCC-HNNXBMFYSA-N 297.333 3.615 30 20 CHED N#Cc1cnc(N2CC[C@@H]3CCCC[C@@H]3C2)c(Cl)c1 1321745217 ZGLZXMAXIAGZEF-QWHCGFSZSA-N 275.783 3.623 30 20 CHED C[C@H]1CCC[C@@]1(C)c1nnc(COc2ccccc2C#N)o1 1326969869 GSRXWJCEGKEVCH-YVEFUNNKSA-N 297.358 3.598 30 20 CHED C=CCN(C)C(=O)c1nc(-c2ccccc2)oc1C(C)C 1320465280 AXGCYHDGSYAJQV-UHFFFAOYSA-N 284.359 3.723 30 20 CHED Nc1cnnc(NN=C2CCCC23CCCCC3)c1Cl 1324550089 DNHFEKDZHSQYCC-UHFFFAOYSA-N 293.802 3.615 30 20 CHED C[C@@H]1CCCC[C@@H]1Cc1nnc(-c2cccc(C#N)c2)o1 1327809033 XJMPQJTXYLELDV-TZMCWYRMSA-N 281.359 3.977 30 20 CHED CC(C)[C@H](CC(F)(F)F)NC(=O)CC#Cc1ccccc1 1338611900 ONWARRQOWILGJN-AWEZNQCLSA-N 297.320 3.521 30 20 CHED COc1cccc2c1CC[C@H]2Nc1cc(C#N)cc(Cl)n1 1337888990 VJQSBUGBTNSRIJ-CYBMUJFWSA-N 299.761 3.715 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCCc1nc(C)cs1 1336759759 OQMXSOQDQBIBLU-CQSZACIVSA-N 292.448 3.731 30 20 CHED Cc1cccc(-c2nnc(-c3cccc(C#N)c3)o2)c1 1253612041 DWVJOMYRPFSBIV-UHFFFAOYSA-N 261.284 3.584 30 20 CHED Cc1ccc([C@H](C)c2nnc(-c3cccc(C#N)c3)o2)o1 1333075729 CYMGYFQBXRAXSC-NSHDSACASA-N 279.299 3.662 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1c(C)oc(C)c1C 1337551926 SMPMZBFFWPDCKU-CQSZACIVSA-N 261.365 3.776 30 20 CHED C#CCN(C(=O)Nc1ccc2oc(C(C)C)nc2c1)C(C)C 1335813646 IOZUFOBFKUEERK-UHFFFAOYSA-N 299.374 3.827 30 20 CHED Cc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1cccc(F)n1 1344007159 XTFLRSUPNNWRAQ-LBPRGKRZSA-N 288.709 3.673 30 20 CHED C[C@@H](OC(=O)[C@@H]1CC2CCC1CC2)c1ccc(C#N)cc1 1265620314 GNVMSFAOIBZJDG-PSPNYPNSSA-N 283.371 3.989 30 20 CHED CC(C)(C)CC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1 1342601142 ADBPALDTGDMPEE-OAHLLOKOSA-N 295.386 3.544 30 20 CHED C=C(CC)C(=O)N(C)[C@H](C)c1ccccc1Cl 1345589599 WGGVKNJZPOROLT-LLVKDONJSA-N 251.757 3.826 30 20 CHED C=C(CC)C(=O)Nc1nc(-c2sc(C)nc2C)cs1 1347627631 KWNDOTUBNRUCRZ-UHFFFAOYSA-N 293.417 3.788 30 20 CHED CCC[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)C(C)C 1263660563 JMHDASHOZXOJCZ-OCCSQVGLSA-N 263.337 3.850 30 20 CHED C=C(CC(C)C)C(=O)N1CCOc2ccccc2[C@H]1C 1347120409 ALGZWYKABUXNGQ-CQSZACIVSA-N 273.376 3.571 30 20 CHED Cc1ccc(SCC(=O)Nc2cccc(CC#N)c2)cc1 1272960668 LMPMVMFYNZAXDK-UHFFFAOYSA-N 296.395 3.792 30 20 CHED CCCCCCCC(=O)NCc1ccc(C#N)cc1 106324361 XGVKVPRBAMCKKU-UHFFFAOYSA-N 258.365 3.535 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H]2CCC[C@H]2C)c1 1436706279 PQCFYZKDCIKLQU-TZMCWYRMSA-N 256.349 3.632 30 20 CHED N#Cc1cc(Cl)cc(OCCCCCCCO)c1 806584798 UJEYLSXFKACOAV-UHFFFAOYSA-N 267.756 3.533 30 20 CHED CCCCCCCC(=O)N(C)Cc1ccccc1O 105313740 OBCQHQYHTBKZSC-UHFFFAOYSA-N 263.381 3.711 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1CCC[C@H]1OC 1353680086 SZKGNZQNZSAKNW-GDBMZVCRSA-N 273.376 3.559 30 20 CHED Cc1cccc2oc(C(=O)NCc3ccc(C#N)cc3)cc12 1360629940 SHRPSULPFCJHFJ-UHFFFAOYSA-N 290.322 3.543 30 20 CHED CCn1c(C(=O)O[C@H]2CC[C@@H](C#N)C2)cc2ccccc21 1524711607 GSNAIRBKOSZVNO-OCCSQVGLSA-N 282.343 3.510 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)C1 1466772879 JMEGAVKGLZYSHE-VXGBXAGGSA-N 289.354 3.645 30 20 CHED N#CC1(CCCCN(CC(=O)O)C2CCCCC2)CCC1 1601054047 DUGRFDCTYVREPJ-UHFFFAOYSA-N 292.423 3.570 30 20 CHED N#CCC1(CSc2nccn2-c2cccc(F)c2)CC1 1613352936 ATGLZGHJMRLZRM-UHFFFAOYSA-N 287.363 3.797 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 1472775300 VZJIAAOPNTYZGU-UKRRQHHQSA-N 296.349 3.544 30 20 CHED C=C(CC)C(=O)N1C[C@H](C)C[C@H]1c1ccc(OC)cc1 1548671342 NIXOLGFGFKKHLA-WBMJQRKESA-N 273.376 3.571 30 20 CHED C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc23)C[C@@H]1C 1559116278 UEVPREBMESAGQR-PHIMTYICSA-N 285.778 3.852 30 20 CHED CCC[C@@H](CC)C(=O)Nc1cc(C#N)ccc1NCC 1630543325 LPCMZCBICOAMIT-CYBMUJFWSA-N 273.380 3.755 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc2c(c1)CCCO2 1560497955 LYTASNIZFMEWMW-UHFFFAOYSA-N 278.355 3.804 30 20 CHED C[C@H](COCC1CCCCC1)NCc1cccc(C#N)c1 1655655509 MECXFOHABXFAPK-OAHLLOKOSA-N 286.419 3.633 30 20 CHED CN(Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CC1(C)C 1654354311 VTVZKFPEAOSGHS-ZDUSSCGKSA-N 292.810 3.720 30 20 CHED N#Cc1nc(Oc2ccc(F)cc2)sc1Cl 1651305351 GKFQFCRYSFNNMJ-UHFFFAOYSA-N 254.673 3.600 30 20 CHED Cc1cscc1NC(=O)Nc1sccc1C#N 1663159321 IGSIFYUQNIPZRX-UHFFFAOYSA-N 263.347 3.634 30 20 CHED CC(=NNc1ccccc1C(=O)O)[C@H]1C[C@H]2C=C[C@H]1CC2 1776031239 VAXFQGDUBMYOOM-KCQAQPDRSA-N 284.359 3.775 30 20 CHED CCCC1(CNC(=O)Nc2cc(C#N)c(F)cc2F)CC1 1680088662 SZHLEVSGQAFSBM-UHFFFAOYSA-N 293.317 3.538 30 20 CHED C[C@H]1CC(=NO[C@H](C)c2ccccc2)CC[C@@H]1C(=O)O 1776083276 VGYSUFUSBXDNQB-ZOWXZIJZSA-N 275.348 3.641 30 20 CHED O=C(O)c1cc(C=NNc2c(F)cccc2Cl)cs1 1776055834 WBAVEVLIJMXYER-UHFFFAOYSA-N 298.726 3.685 30 20 CHED COc1cccc(/C=N/CCc2c[nH]c3ccccc23)c1O 5287749 PPSXAKRYBMPSBE-YBFXNURJSA-N 294.354 3.544 30 20 CHED O=C(/C=C/c1cc2ccccc2o1)c1cncc(F)c1 150950372 AKHHHBUUFWTRKJ-AATRIKPKSA-N 267.259 3.863 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ccccc1-c1ccccc1 153504328 MXGAFCIPUOGXRC-CYBMUJFWSA-N 279.343 3.777 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc2ccccc2c1O 156608800 UBDOBJLAQSAFIG-MDZDMXLPSA-N 292.338 3.781 30 20 CHED C#CC[C@@H](OC(=O)c1coc(-c2ccccc2)n1)C(C)(C)C 159842489 VPWLKQDJEIWFQN-OAHLLOKOSA-N 297.354 3.936 30 20 CHED N#Cc1ccc(OCCCSCCOC2CCC2)cc1 808357458 HTVQXVNAPXKBMQ-UHFFFAOYSA-N 291.416 3.629 30 20 CHED C#Cc1ccc(CNc2cc(F)c(OC)c(F)c2)cc1 809597475 GZWOWGAJCOXXFD-UHFFFAOYSA-N 273.282 3.567 30 20 CHED C#Cc1ccc(CNc2cncc3ccccc23)cc1 809629718 CIODLNHGWBEUQN-UHFFFAOYSA-N 258.324 3.828 30 20 CHED C[C@H]1C[C@@H](Nc2c(Br)cccc2C#N)CS1 1307143104 YKBUUJVDYFJICU-WCBMZHEXSA-N 297.221 3.627 30 20 CHED CN(Cc1nc2ccccc2s1)c1ccc(C#N)cc1 157884584 BZMMZNNOHYOOGO-UHFFFAOYSA-N 279.368 3.804 30 20 CHED CC(C)CC[C@H](C)NCc1ccc(OCC#N)cc1 34991359 SKERBVYGILYELQ-AWEZNQCLSA-N 260.381 3.503 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 35018888 NBBBELIATFMQCD-NSHDSACASA-N 272.298 3.687 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccccc1O 37748729 ZAOPCHAGGXWZIN-MRXNPFEDSA-N 266.344 3.505 30 20 CHED N#Cc1ccc(NCc2csc(C3CC3)n2)cc1 171958498 FBWACGBMWUYMPP-UHFFFAOYSA-N 255.346 3.504 30 20 CHED C=CCN(Cc1ccccc1)Cc1nc(C(C)(C)C)no1 298335475 ZKHXWQDSQDFNOT-UHFFFAOYSA-N 285.391 3.555 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(C#N)cc2F)[C@H](C)C1 70113419 PFJWZRFPDYWYEU-HSMVNMDESA-N 260.356 3.612 30 20 CHED C=CCCCN(Cc1ccccc1)C[C@@H]1CCCO1 605150008 DLRIGZUFZKPIJR-KRWDZBQOSA-N 259.393 3.634 30 20 CHED C=C(CC)CN[C@H](c1ccccc1)c1ccccn1 313504780 OSGPWELRPOASSK-QGZVFWFLSA-N 252.361 3.727 30 20 CHED Cc1nc(N[C@@H](C)CCc2ccco2)c(Cl)cc1C#N 336829330 CMXAMWIZJBRMSZ-JTQLQIEISA-N 289.766 3.941 30 20 CHED Cc1cc(C)c(C#N)c(NCC2(C(F)(F)F)CCC2)n1 343906430 FGYNYZFKDFKWCD-UHFFFAOYSA-N 283.297 3.715 30 20 CHED CCCCCCCNC(=O)c1cc(N)ccc1Cl 703753601 PCKAGCGLQUSJDP-UHFFFAOYSA-N 268.788 3.622 30 20 CHED C=CCCOC(=O)CCSc1ccccc1Cl 740182785 FKKLXWKLXBWNRO-UHFFFAOYSA-N 270.781 3.942 30 20 CHED COc1ccc(C)cc1C=NOCc1ccccc1 839420546 FUSLPSMIINXRAG-UHFFFAOYSA-N 255.317 3.554 30 20 CHED CCCCc1ccc(NC(=S)N(C)CCC#N)cc1 7523041 NHOPDRUIJBCXCK-UHFFFAOYSA-N 275.421 3.571 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c1 55862386 PVEDWVGIJRCHJA-KRWDZBQOSA-N 294.329 3.675 30 20 CHED CCc1ccc(N/C(N)=N/[C@@H]2C[C@H]2c2ccccc2F)cc1 104193815 WMQKDZNUDVFXDC-DOTOQJQBSA-N 297.377 3.671 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCCCc1ccccc1 178576390 HXHQELHMJALSSX-UHFFFAOYSA-N 293.370 3.621 30 20 CHED C=CCNC(=O)N[C@H](CC(C)(C)C)c1ccccc1 59035463 IJUZQAWBLRPNIB-CQSZACIVSA-N 260.381 3.649 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(C#N)cc2)c1 172813874 UXUVUJKXIXQYSP-JXMROGBWSA-N 277.323 3.601 30 20 CHED C=CCCCC(=O)Nc1ccc(C(C)(C)C#N)cc1 175246749 VOJWZAXMJZWZKD-UHFFFAOYSA-N 256.349 3.783 30 20 CHED CC(C)c1ccccc1NC(=O)c1cc(C#N)cs1 176815469 IJCMIRXQJBFZOL-UHFFFAOYSA-N 270.357 3.995 30 20 CHED N#Cc1cccc(Cl)c1N[C@@H]1CCC[C@@H]2OCC[C@H]21 301680095 URDMUKOPLGSERA-YUTCNCBUSA-N 276.767 3.581 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N2CCC3(CCCC3)CC2)c1 302226726 WHMFYFHTAYMDOV-UHFFFAOYSA-N 285.347 3.627 30 20 CHED CC[C@H](C)C(=O)O[C@@H](c1cccs1)[C@H](C#N)CC 1263524630 PVPKPBYVIDUMDG-GMXVVIOVSA-N 265.378 3.928 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccc(Cl)c(Cl)c1 66294082 SNKKCCQWVCFTDT-OAHLLOKOSA-N 283.607 3.995 30 20 CHED C=CC1CCN(C(=O)N[C@@H](CC)c2nc(C)cs2)CC1 111858785 GIHSEIBKMAEBDN-ZDUSSCGKSA-N 293.436 3.510 30 20 CHED C=CC[C@H](C)NC(=O)N1CC=C(c2ccc(F)cc2)CC1 172079591 MMURITUAJUJSOI-ZDUSSCGKSA-N 288.366 3.589 30 20 CHED CCS[C@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 176982889 QJHFVNXCLZYHOJ-NEPJUHHUSA-N 280.462 3.774 30 20 CHED COc1cc(Cl)ccc1CNCc1ccc(C#N)s1 176965970 IFIXHWLIROMGHL-UHFFFAOYSA-N 292.791 3.572 30 20 CHED C[C@@H](NC(=O)N(C)[C@H](C)c1ccco1)c1ccc(C#N)cc1 69104131 DSFDRWKHSNTDLW-CHWSQXEVSA-N 297.358 3.615 30 20 CHED CO[C@H](CNc1cc(C(C)=O)ccc1C#N)c1ccccc1 302019906 HIVJKGGPLOVSMH-GOSISDBHSA-N 294.354 3.560 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCc2ccc(F)cc21 301177161 GLIDRWVYYAIGJT-INIZCTEOSA-N 297.289 3.705 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2F)C1 352892968 LTYRZGFJSQTNGX-HUUCEWRRSA-N 292.423 3.803 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3c(Cl)cccc32)cn1 301508084 JPENUEKNZIBKEU-OAHLLOKOSA-N 269.735 3.706 30 20 CHED N#CCCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 60483104 NWSDTZJQTDGTFN-UHFFFAOYSA-N 290.794 3.538 30 20 CHED CN(CCc1ccc(Cl)cc1)Cc1cccc(C#N)c1 308550886 XKDLNCJNHMZONS-UHFFFAOYSA-N 284.790 3.886 30 20 CHED CC#CCCCC(=O)N(Cc1ccc(F)cc1)CC1CC1 185581115 UKPRGSCWSKZLQG-UHFFFAOYSA-N 287.378 3.758 30 20 CHED C=CCOc1ccc(Oc2ncnc(CC)c2F)cc1 302018149 ZKMTXFRDYKMDCV-UHFFFAOYSA-N 274.295 3.535 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 182615085 BCLBRUZYKLEECD-GFCCVEGCSA-N 265.784 3.744 30 20 CHED CC[C@H](C#N)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 187025600 OQFBZYXVCSTHSV-DZGCQCFKSA-N 271.408 3.761 30 20 CHED CCc1cc(C#N)c(NC(=O)CCc2ccsc2)s1 79263218 PRTBACLYKLXJPB-UHFFFAOYSA-N 290.413 3.815 30 20 CHED COc1cccc(CCCOc2ccc(C#N)cc2OC)c1 125701416 ZXYLFYZIPNNWHU-UHFFFAOYSA-N 297.354 3.587 30 20 CHED C=C[C@H](CC(=O)N1CCCC[C@H](C)C1)c1ccccc1 184380417 ZLVZHKVJMVGHHZ-JKSUJKDBSA-N 271.404 3.995 30 20 CHED N#Cc1cccc(CNCc2ccc(Cl)s2)c1 37500176 OVZWDXGSLOXCRQ-UHFFFAOYSA-N 262.765 3.563 30 20 CHED C[C@H](C#N)CNCc1ccc(-c2ccc(F)cc2)s1 183816010 QVTIBTIUGZLHKN-LLVKDONJSA-N 274.364 3.803 30 20 CHED C[C@@H](C#N)NC(=O)c1ccc(CSc2ccccc2)cc1 125900265 HCUQDUHPAQGUBJ-ZDUSSCGKSA-N 296.395 3.621 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 75462288 UMBJBDODZHUKEO-UHFFFAOYSA-N 282.318 3.614 30 20 CHED Cc1cncc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)c1 184761937 SBTKSNJEQUNUFI-SNAWJCMRSA-N 297.383 3.612 30 20 CHED C=C(C)CCc1noc([C@H]2C[C@@H]2c2ccc(F)cc2)n1 508633845 SZRDZEFFMIWVQH-KGLIPLIRSA-N 272.323 3.989 30 20 CHED CC(C)(C)OC(=O)Nc1cc(CC#N)ccc1Cl 259307245 FAPHAZNFYLFIMN-UHFFFAOYSA-N 266.728 3.753 30 20 CHED C[C@H](Nc1nccc(C#N)c1Cl)C1CCCCC1 235538449 WWWYFQCCYCTFBN-JTQLQIEISA-N 263.772 3.987 30 20 CHED C=C[C@@H](CC(=O)Nc1ccnn1CCCC)c1ccccc1 123427458 DACDXKMNNZKYCX-HNNXBMFYSA-N 297.402 3.982 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCc1cccc(OC(F)F)c1 185346518 RXMWOLAHMVRVBP-LLVKDONJSA-N 283.318 3.507 30 20 CHED CC1(CC(=O)N[C@@H](C#N)c2ccccc2F)CCCCC1 127317643 JEBDNYQBDSQNJM-HNNXBMFYSA-N 288.366 3.867 30 20 CHED N#CCCCCSc1n[nH]c(-c2ccc3c(c2)CCC3)n1 122789936 BQTNZCQXPXRWPS-UHFFFAOYSA-N 298.415 3.746 30 20 CHED CCc1ccc([C@H](COC)N[C@H](C)c2cccc(C#N)c2)o1 181812498 UWWVPCCDFKQBND-DYVFJYSZSA-N 298.386 3.752 30 20 CHED N#Cc1ccc(SC[C@@H]2CCOC2)cc1C(F)(F)F 181059455 NHSSCPSLOZRNCC-SECBINFHSA-N 287.306 3.706 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccc(C(F)(F)F)cc1 125356553 ZVBKWGGGZYRCTN-QGZVFWFLSA-N 282.714 3.707 30 20 CHED CC(C)CSCCCN(C#N)c1ccc(F)c(C#N)c1 507815033 PBRBFRSHILFBBG-UHFFFAOYSA-N 291.395 3.764 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(C(C)C)cc2)cn1 210375972 OXJXDSZDXLBKLX-YHYXMXQVSA-N 268.360 3.923 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2ccccc2C)s1 79263068 RARJOKRUOIYGDE-UHFFFAOYSA-N 284.384 3.672 30 20 CHED CC(C)CCN(CCC#N)Cc1ccccc1N(C)C 72691526 ZHEMFTJEVWFMJO-UHFFFAOYSA-N 273.424 3.514 30 20 CHED C=Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1 185279206 XMIBSNXGDCTETN-GUYCJALGSA-N 268.360 3.532 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1scnc1C)C2=O 78692771 SYMWTOVXWJCPRQ-XYOKQWHBSA-N 285.368 3.673 30 20 CHED C[C@@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccncc1 120687894 YURMJKAEWHFDSP-NSHDSACASA-N 299.761 3.739 30 20 CHED CCC(C)(C)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416094433 FRDVKMGIMGDDGO-INIZCTEOSA-N 284.403 3.878 30 20 CHED C[C@@H](NC(=O)CSc1ccccc1)c1cccc(C#N)c1 75276135 CITTUVOVEVZOAP-CYBMUJFWSA-N 296.395 3.528 30 20 CHED C[C@H](CC1CCCCC1)C(=O)NCc1cccc(C#N)c1 74435266 FIJMHPXNIWQWQC-CQSZACIVSA-N 284.403 3.781 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccccc1Cl 42268139 OTSUFMRGYNEGKY-UHFFFAOYSA-N 270.763 3.844 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 41130451 PHCMOQPQXAYGDT-GFCCVEGCSA-N 282.318 3.830 30 20 CHED Cc1ccc(C#N)c(NCc2ccccc2Cl)n1 43395402 IOXFCIULAJDYAH-UHFFFAOYSA-N 257.724 3.527 30 20 CHED N#CCN(Cc1ccc(-c2ncco2)cc1F)C1CCCC1 411289899 HVTOEYVOOIQTBV-UHFFFAOYSA-N 299.349 3.749 30 20 CHED Cc1nnccc1N=C(O)CC1CCC(C)(C)CC1 329686699 UZTRVYDDCZXYEX-UHFFFAOYSA-N 261.369 3.980 30 20 CHED C=C(C)CCc1noc(COc2ccc(F)c(Cl)c2)n1 508618830 KTSCKNMNUYOVBD-UHFFFAOYSA-N 296.729 3.950 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(COC)cc1 195261718 BDGLUUHZMDDOKG-UHFFFAOYSA-N 259.349 3.540 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(-c2cccs2)nc1C 89527450 ISSBITZEQGPGMQ-GFCCVEGCSA-N 299.399 3.541 30 20 CHED C#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1OCC 192229616 UWWQOCMWRBXJHR-UHFFFAOYSA-N 299.292 3.846 30 20 CHED N#Cc1ccc(-c2nnc(CSC3CCCC3)o2)cc1 133344668 BJQLGMGVSDAFKI-UHFFFAOYSA-N 285.372 3.784 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ncc(C(C)(C)C)o1 193851605 AJBKLMGEGYBJCK-CYBMUJFWSA-N 292.423 3.766 30 20 CHED Cc1c(C(=O)NCc2cccc(C#N)c2)oc2ccccc12 45212382 LIHGEMLGUPHHFP-UHFFFAOYSA-N 290.322 3.543 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCC(F)(F)C1 424836158 SIWYGAPBTHIXJI-LBPRGKRZSA-N 273.367 3.921 30 20 CHED C=CCn1cc(CN[C@H](C)c2ccc(CC(C)C)cc2)nn1 424296529 OYCMWCDDHCQVRF-OAHLLOKOSA-N 298.434 3.513 30 20 CHED C=CC[C@H](C)N[C@@H](C)CCc1c(F)cccc1F 510724593 YSEOGIWDCQZACP-RYUDHWBXSA-N 253.336 3.840 30 20 CHED C=CCC[C@H](NCCc1nnc(C(C)C)s1)C1CC1 426291694 SGUOTBPBXMDBHX-ZDUSSCGKSA-N 279.453 3.538 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccccc2N2CCCC2)C1 193108708 NWVJANYBFOZDQF-HUUCEWRRSA-N 269.392 3.781 30 20 CHED Cc1ccc(N=C(O)c2cc(C(C)C)oc2C)c(O)n1 330613511 YWXLZCJWNFMRFT-UHFFFAOYSA-N 274.320 3.757 30 20 CHED C=CCOc1ccc(CN2CC[C@H]3CCC[C@@H]32)cc1 428454485 RGJJPMDQGJHZCA-WBVHZDCISA-N 257.377 3.626 30 20 CHED Cc1cnc([C@@H](C)Sc2ccc(C#N)cc2F)o1 336351387 ZJJFTLXYGZYDSX-SECBINFHSA-N 262.309 3.847 30 20 CHED N#CC1(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)CCC1 333630529 AEIJAFVQMIAOFX-INIZCTEOSA-N 294.402 3.784 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1scnc1C1CCCC1 339170557 YFBSKDFRCQPMLW-LBPRGKRZSA-N 291.420 3.565 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1 96792660 RUOLPVLVNKGHPV-FLIBITNWSA-N 268.312 3.687 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 335558696 IXIHYLDXOHEGAE-ZFWWWQNUSA-N 257.377 3.808 30 20 CHED C=CC[C@H](C)[C@H](C)NCC1(c2cccc(OC)c2)CC1 519591965 KJZMSKHDEKTEGP-GJZGRUSLSA-N 273.420 3.917 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(C)cc2)ccc1O 97993511 KDCLWYQQWHARDU-CLFYSBASSA-N 268.312 3.605 30 20 CHED Cc1ncc(-c2ccccc2)cc1NC(=O)C1(C#N)CCC1 336248365 ORCXMEYNVHTDCW-UHFFFAOYSA-N 291.354 3.689 30 20 CHED Clc1ccccc1C#CCN1CC[C@H]2CCC[C@H]21 426462055 RWPMKPCCJCTXCO-GDBMZVCRSA-N 259.780 3.566 30 20 CHED Cc1ccc2c(c1)[C@H](N/C(O)=N/[C@@H]1CCC[C@@H]1C#N)CCC2 330208251 GQDMAOJFOFTRAM-DJIMGWMZSA-N 297.402 3.568 30 20 CHED CCc1c(C)sc(NC(=O)C(C)(C)C2CC2)c1C#N 517725433 UNWVMERDTISLOP-UHFFFAOYSA-N 276.405 3.865 30 20 CHED C=CCCCSCC(=O)N(CC(C)C)C(C)C 337838324 KDFBYFZJYLLGJG-UHFFFAOYSA-N 257.443 3.579 30 20 CHED CC(C)[C@H](C/N=C(/O)N[C@H]1CC[C@@H](C)C1)c1cccnc1 331224015 LXYOZHAWDPNYBX-KBMXLJTQSA-N 289.423 3.513 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1CC2CCC1CC2 334819006 SUGHVFOEYCIXOM-PIMMBPRGSA-N 268.360 3.517 30 20 CHED CSc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)ccc1Cl 335641611 UNNMMFRAFHRWOJ-OQPBUACISA-N 280.780 3.550 30 20 CHED Cc1ccc2[nH]c(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)cc2c1 522648358 HQACDSSHYJZVOK-SCLBCKFNSA-N 295.386 3.679 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1sccc1C1CC1 432999943 NGXPAQGDHBUREM-OAHLLOKOSA-N 276.405 3.684 30 20 CHED C[C@H](NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1ccc(C#N)cc1 246608625 DJWJJKPQLMKYPO-BBLUDWJGSA-N 288.394 3.795 30 20 CHED CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(C#N)cc1 340335636 ATFQLFHYDYVOMB-CYBMUJFWSA-N 296.374 3.614 30 20 CHED CCn1ncc2ccc(NCc3ccc(C#N)cc3F)cc21 347781126 SXAUZBNLTSNMLE-UHFFFAOYSA-N 294.333 3.679 30 20 CHED C[C@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 437400348 KJXIZHHAUBROJT-NSHDSACASA-N 280.318 3.534 30 20 CHED Cc1ccnc(NCc2nc(C(C)(C)C)cs2)c1C#N 343515503 QDOWLVTVTWQIQG-UHFFFAOYSA-N 286.404 3.628 30 20 CHED C=C1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1 520494592 VWKUNWBUSHWGDK-ZDUSSCGKSA-N 293.794 3.594 30 20 CHED CCCN(CC)C(=O)Nc1cc(C#N)ccc1OC(C)C 521842283 VFHXNEYTAQVQNE-UHFFFAOYSA-N 289.379 3.609 30 20 CHED C[C@H](CCC#N)CN1CCC(Oc2cccc(F)c2)CC1 602721808 WIXRALUZGWUZOZ-CQSZACIVSA-N 290.382 3.609 30 20 CHED COc1cccc(CN(CC(C)C)c2ccc(C#N)cn2)c1 604492399 VNKIDQQEURZMPX-UHFFFAOYSA-N 295.386 3.624 30 20 CHED C[C@H](CF)NCc1cccc(OCc2ccccc2C#N)c1 342207073 SNKGNVLLYURBKA-CQSZACIVSA-N 298.361 3.585 30 20 CHED C=CCC[C@H](NC(=O)N[C@H]1CC[C@@H](F)C1)c1ccccc1 345581561 FCPVDXFVEICHBL-PMPSAXMXSA-N 290.382 3.884 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)cc1)CCC2 609540746 ZCQLMPCRKCRQLD-UHFFFAOYSA-N 262.356 3.820 30 20 CHED Cc1ccnn1-c1ccccc1NC[C@@H](C)CCC#N 602608537 NGHHDFUSWRXXCL-ZDUSSCGKSA-N 268.364 3.533 30 20 CHED C[C@H](OC(=O)/C=C\c1ccccc1)c1ccc(C#N)cc1 255900890 GATRILMHRFTCOE-UQTJOTSZSA-N 277.323 3.876 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccc2nc(O)oc2c1 601304415 MVBGSYXXHZHSSP-FFLHNBHYSA-N 299.374 3.656 30 20 CHED C=C(CNc1nc2c(cc1C#N)CCC2)c1ccccc1 340849350 LHOJDCQIOSOYPN-UHFFFAOYSA-N 275.355 3.567 30 20 CHED C=C(CNC(=O)[C@H](C)c1ccsc1)c1ccccc1 345744173 FMORPOWNJKRQNJ-CYBMUJFWSA-N 271.385 3.681 30 20 CHED C=CCCN(C)[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 342765568 PMXUBTAHGVKESY-WBVHZDCISA-N 288.435 3.540 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 343508002 PBXWNAOKWDUJCV-CJNGLKHVSA-N 274.364 3.917 30 20 CHED N#Cc1ccnc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 342381009 PHXJCDMOBCYZEC-ZWNOBZJWSA-N 287.725 3.714 30 20 CHED C=CC(C)(C)CNC1CCN(c2ccc(F)cc2F)CC1 449483453 ASAHDCVIDOOWLR-UHFFFAOYSA-N 294.389 3.735 30 20 CHED Cc1cc(SCc2ccc(N(C)C)nc2)ccc1C#N 600562258 LJGASPFZLUIQQJ-UHFFFAOYSA-N 283.400 3.620 30 20 CHED C=CCc1cc(C)cc(OC)c1OC[C@@H](C#N)CCC#N 445483981 RGFWSZOJUIDEOH-CQSZACIVSA-N 284.359 3.554 30 20 CHED CCO[C@H](CCNC[C@@H](C)CCC#N)C1CCCC1 602562396 BASUDYOXOWZDET-GOEBONIOSA-N 266.429 3.501 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H](Nc2ccccc2)C1 602478578 ZQBPRBLZKHVLMH-WBVHZDCISA-N 271.408 3.503 30 20 CHED Cn1ccc2c(NCc3ccc(C#N)cc3F)cccc21 608886472 NTLQFGDMXXVSGU-UHFFFAOYSA-N 279.318 3.801 30 20 CHED CC(C)[C@@H](NC(=O)[C@H](C)C#N)c1cccc(C(F)(F)F)c1 609848103 XSYRXMXHTRHCJB-ZWNOBZJWSA-N 298.308 3.678 30 20 CHED COc1ccc([C@H](C)N(C)C[C@@H](C)CCC#N)cc1 602437389 WIPOAUWABDXONK-KBPBESRZSA-N 260.381 3.628 30 20 CHED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)Oc1ccccc1 447541119 LDBMKNSVYRTLRN-LSDHHAIUSA-N 272.392 3.516 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@H]2CCCC)CC1 600870124 YYUQPCOIIOHLRM-CVEARBPZSA-N 278.440 3.953 30 20 CHED C=CCN1CCC(N[C@@H](CC)c2cccc(C)c2)CC1 353501520 IYXPDLMUCDKPHX-SFHVURJKSA-N 272.436 3.686 30 20 CHED C=C1CCN(C(=O)c2cc(C)c(Cl)cc2C)CC1 355669395 CRNBHKKVPNCNPK-UHFFFAOYSA-N 263.768 3.749 30 20 CHED CC(C)(C)OC1CC(CCN[C@H]2CCC[C@H](C#N)C2)C1 446976389 WFGMKPADOVXSEY-PYBGIAKNSA-N 278.440 3.642 30 20 CHED Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c2c1CCC2 448595135 PNSGINMXMODAMI-UHFFFAOYSA-N 290.366 3.802 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc3c[nH]nc23)CCCC1(C)C 357346929 NNOBYPAHQLUVBI-HNNXBMFYSA-N 297.402 3.770 30 20 CHED N#CC1(F)CCN(Cc2cc3ccccc3s2)CC1 352449093 KTVWREJERYTOHV-UHFFFAOYSA-N 274.364 3.729 30 20 CHED C=CCCCC(=O)N1CCCCC[C@@H]1c1ccncc1 267192019 KGACHOJPYVGABI-MRXNPFEDSA-N 272.392 3.882 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCc3c(C)cccc32)CC1 530281414 VRFJMHUAOSBGIT-INIZCTEOSA-N 269.388 3.845 30 20 CHED N#C[C@H]1CC[C@H](NCC2(CCOCc3ccccc3)CC2)C1 442833459 HZJWLGNHWFRYOH-ROUUACIJSA-N 298.430 3.655 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](CCOC)c1ccc(C)o1 353032119 FASRKXVDVPEBLD-AEGPPILISA-N 265.397 3.856 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc2ccoc2c1 351535954 NVMZCMIQNGZRPH-UHFFFAOYSA-N 285.347 3.884 30 20 CHED CCn1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 616785487 UXKURUMSBFEFBD-CQSZACIVSA-N 267.376 3.573 30 20 CHED C=C1CCN(Cc2cccc(-c3ccccn3)c2)CC1 353307101 JTWQGVDNCHOUCE-UHFFFAOYSA-N 264.372 3.901 30 20 CHED C=CCCCNc1ccc(F)cc1OCC(F)F 539094710 CXZBXEAKVCWPNU-UHFFFAOYSA-N 259.271 3.848 30 20 CHED CCSc1cccc(CN2CCC[C@](C)(C#N)C2)c1 613746435 WNHUHTPRIOKDTP-MRXNPFEDSA-N 274.433 3.924 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C(C)(C)C)C1 612301696 JBRRIVDXIYMGGN-AWEZNQCLSA-N 285.391 3.767 30 20 CHED CC(C)=CCCNC(=O)C(C)(C)Cc1ccc(C#N)cc1 456033018 VFRYGDUBRJNSDV-UHFFFAOYSA-N 284.403 3.599 30 20 CHED C=C(C)CCNC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 455070217 YYIBRTXVTMTVIH-LBPRGKRZSA-N 290.411 3.819 30 20 CHED CC(C)(C#N)CCCNC1(C(=O)OC(C)(C)C)CCCC1 532704481 RBKCSGIHFZYTGL-UHFFFAOYSA-N 294.439 3.560 30 20 CHED CC[C@@H](c1ccc(F)cc1F)N(C)C[C@H](C)C#N 533406096 JGBYXMHCDKWTSG-YGRLFVJLSA-N 252.308 3.507 30 20 CHED CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(C)cc(C#N)c1 455998798 JTMAAWOARBQJSQ-WFASDCNBSA-N 271.364 3.519 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cnc(C3CCC3)s2)C1 612407128 ZGABDCCCGQKMPW-HNNXBMFYSA-N 275.421 3.536 30 20 CHED C[C@H](NC(=O)NC1[C@@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 610484888 AHIYHJNMZNNXOC-IHRRRGAJSA-N 299.418 3.743 30 20 CHED C=CCC1(NC(=O)CC[C@H]2CC[C@H](C)O2)CCCCC1 456371302 SKGQEMUVGMCDKR-LSDHHAIUSA-N 279.424 3.729 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1cccc(O)c1 612621903 DIFYAWUICXWPNL-HNNXBMFYSA-N 255.342 3.619 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)CCCc1cccnc1 457968582 XCPWROSJWSZRBQ-OAHLLOKOSA-N 286.419 3.677 30 20 CHED N#CCCN(CCCC1CCCC1)Cc1ccco1 361541761 SPMXXTSUCBKHEE-UHFFFAOYSA-N 260.381 3.966 30 20 CHED C=CCN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)C1CC1 540134949 RXHNBVCRUUFSOE-UHFFFAOYSA-N 294.398 3.791 30 20 CHED C=CCC[C@H](C(=O)N(C)Cc1ccccn1)c1ccccc1 275189934 YHHPDXZAXBFFEJ-SFHVURJKSA-N 294.398 3.790 30 20 CHED Cc1cccc(C)c1[C@@H](C)NCCOc1ccccc1C#N 546227905 GAUDSOQIUPIBFN-MRXNPFEDSA-N 294.398 3.905 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 276052157 YERCMUNPFYSSPJ-KZULUSFZSA-N 283.371 3.696 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CC)c1cccc(Cl)c1 362372074 XCINQEGPSJWELC-GWCFXTLKSA-N 266.772 3.665 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccccc1C)C1CC1 276116717 FIMDVVFWSWAOLK-INIZCTEOSA-N 272.392 3.664 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccc(C2CCCCC2)cc1 452165156 WNIAHRPJPGPSNK-KUHUBIRLSA-N 296.414 3.900 30 20 CHED CN(CC(C)(C)C#N)C(=O)NCc1ccc(C2CCC2)cc1 458713783 PTAIGVUJVANSIA-UHFFFAOYSA-N 299.418 3.645 30 20 CHED CC(C)(C#N)c1ccccc1CNc1cccc2c1OCO2 543863304 UKJVSNCCWNLKHH-UHFFFAOYSA-N 294.354 3.829 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)Nc1cccc(CC#N)c1 455911186 DXWQYEZDXBLPMV-HNNXBMFYSA-N 285.391 3.843 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccccc1OC(F)F 274265860 FIXSEHHZHQXNEB-GFCCVEGCSA-N 295.329 3.659 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 450303547 NHJLQTSEWURFEZ-RDJZCZTQSA-N 296.414 3.880 30 20 CHED CC[C@@H](NCCCCOC(C)C)c1ccc(C#N)cc1 278639658 HMBRSSIYXAEXSG-QGZVFWFLSA-N 274.408 3.804 30 20 CHED CC[C@@H](N[C@@H](C)c1ccccn1)c1ccc(C#N)cc1 278296128 RNLNCPKHCUHNGV-XJKSGUPXSA-N 265.360 3.755 30 20 CHED C=CCN(CCc1ccco1)C(=O)CCc1cccc(C)c1 542775094 NLUCZKXNDIFNTO-UHFFFAOYSA-N 297.398 3.778 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)c1ccc2[nH]ccc2c1 276648348 MCXAETJVVTXTSQ-CYBMUJFWSA-N 286.375 3.502 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cncs1 271511744 NVTBOXJIAPAFRJ-OCCSQVGLSA-N 271.389 3.839 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)NCCCC#N 273213949 KCTHRJSUKNLEGS-UHFFFAOYSA-N 295.386 3.675 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@H](C)C1CC1 460956886 DCSWXHDGWOXKGX-QWHCGFSZSA-N 276.428 3.602 30 20 CHED CC#CCSc1nnc(-c2ccc(Cl)cc2)n1CC 463039338 RSDHPUAXZLLVKH-UHFFFAOYSA-N 291.807 3.734 30 20 CHED COc1cc(C#N)ccc1CN1C[C@H](C)[C@H]2CCCC[C@@H]21 542968353 ZRXOZPFECKPEBO-XKQJLSEDSA-N 284.403 3.577 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC=C)Cc1ccccc1F 466318946 BVQKNDKCOIYPPR-OAHLLOKOSA-N 290.382 3.878 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2c2ccccc2Cl)c1 286408252 OJRSEBZSKWKFII-HNNXBMFYSA-N 283.762 3.948 30 20 CHED C[C@H](C(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)c1cccc(C#N)c1 462541015 XOERAYUFTSBKHS-VCBZYWHSSA-N 296.414 3.700 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 280219049 QRHTWFFEHFJVCS-ILXRZTDVSA-N 299.418 3.761 30 20 CHED CC(=O)c1ccc(Oc2cc(C#N)ccc2[N+](=O)[O-])c(C)c1 466477543 NNNUINHNMATNMY-UHFFFAOYSA-N 296.282 3.770 30 20 CHED CC[C@H](N[C@@H]1COc2ccccc2C1)c1ccc(C#N)cc1 556064090 RZBZBVNZFSKJPF-ROUUACIJSA-N 292.382 3.603 30 20 CHED C[C@H]1CN(Cc2cc(F)ccc2C#N)[C@@H]1c1ccccc1 469330907 TYJAWTLPQZYQKT-UGSOOPFHSA-N 280.346 3.890 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](CC)Cc1ccccc1 550224679 YLJXLBMSRMELLP-OAHLLOKOSA-N 259.393 3.726 30 20 CHED CCc1nc2ccccc2c(N(C)C[C@H](C)C#N)c1C 554286875 ODDGTHPYKWRDNQ-GFCCVEGCSA-N 267.376 3.702 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)[C@@H](C)c1cccc(C#N)c1 462015313 KZJQZRZEXBTLMO-WMLDXEAASA-N 284.403 3.699 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 373878138 LNIUOASBTRRLCT-AXAPSJFSSA-N 293.357 3.929 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 464399923 SYGJQRNLINRLAH-PTRXPTGYSA-N 297.185 3.720 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3ccn(C)c3c2)C1 633619840 XPTUWXJFBHJFOT-CQSZACIVSA-N 282.387 3.607 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 552468719 XCXKOLPWHVTUGO-DOTOQJQBSA-N 296.414 3.880 30 20 CHED C[C@H]1CCC[C@H](C)N(Cc2cc(F)ccc2C#N)C1 469098333 XAAZAOVIUCMFDV-STQMWFEESA-N 260.356 3.708 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)c2cc(C#N)oc2C)c1 280749808 MGZQZWYWHJVDOG-QGZVFWFLSA-N 294.354 3.745 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1ccc(Cl)s1 281380939 NSMCINQAOAYPDV-VHSXEESVSA-N 271.813 3.976 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H]1CC[C@H](C)C1 460554748 ZYXNRLUSUMIKOG-UONOGXRCSA-N 276.428 3.602 30 20 CHED C[C@H]1CN(CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 281146784 BCZYUYNNUAJLJJ-WMZOPIPTSA-N 298.430 3.780 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 467015551 SAMPNCXTEZVWGY-HUUCEWRRSA-N 266.429 3.809 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccnc(C#N)c2)c1 286349061 KURTXVDIEJDUPC-KRWDZBQOSA-N 263.344 3.603 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCC2(CCCCC2)C1 280581795 HPEIZSIFIOEZBE-UHFFFAOYSA-N 286.375 3.646 30 20 CHED C=C1CCN(C(=O)CCc2ccc3ccccc3c2O)CC1 294755443 ZHTMPSDLAXUOSG-UHFFFAOYSA-N 295.382 3.657 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(N(C)C)cc2F)no1 558356176 DLEBDZCNDRIXGJ-MRXNPFEDSA-N 289.354 3.795 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccccc1COC(C)(C)CC 806417196 RJKGLENIYLIDLW-ZDUSSCGKSA-N 288.391 3.535 30 20 CHED C=CCC(C)(C)CN[C@H](C)CC(=O)N(C)c1ccccc1 550855910 DUKCFZVMMSAULJ-OAHLLOKOSA-N 288.435 3.620 30 20 CHED N#CCCN[C@H](CCc1ccccc1)c1ccccc1 299732723 XXGUQWBTEODHBZ-GOSISDBHSA-N 264.372 3.864 30 20 CHED C=CCOc1cccc(CNCC2(CC)CCOCC2)c1 553516790 DJBYBDRTXWDPSV-UHFFFAOYSA-N 289.419 3.548 30 20 CHED COc1ccccc1C[C@H](C)Nc1ccc(OCC#N)cc1 387510674 MIVCOEJIHVLBTR-AWEZNQCLSA-N 296.370 3.641 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(OCCCC)cc1Cl 472339418 CLJAFQVXZJTBIM-LLVKDONJSA-N 281.783 3.823 30 20 CHED C#CC[C@H](NCc1ccsc1C)c1ccccc1 293392262 XEAMWZRPUNYTCR-INIZCTEOSA-N 255.386 3.911 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1C1CCC1 564457779 JYUYFGOBWVDKFW-LSDHHAIUSA-N 298.386 3.720 30 20 CHED COC(=O)c1ccc(/C=C2\C(=O)c3ccccc3[C@H]2C)cc1 809158432 AHSJBIPPJUZUOS-ZSAINHDTSA-N 292.334 3.857 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 476160882 REBZQCWLJZNFIY-SOUVJXGZSA-N 261.409 3.818 30 20 CHED Cc1cc(OC(=O)[C@H](C)c2ccco2)c(C)c(C)c1C#N 809036148 RLPCNUXPDWVFDD-CYBMUJFWSA-N 283.327 3.786 30 20 CHED C#C[C@@H](C)NCc1ccc(-c2ccc(F)cc2)s1 809683490 DHQIGCWNAKCTBH-LLVKDONJSA-N 259.349 3.666 30 20 CHED Cc1cc(OC(=O)[C@H]2CCCCS2)c(C)c(C)c1C#N 809034639 LZPDTRQQJLURKO-OAHLLOKOSA-N 289.400 3.675 30 20 CHED C[C@H]1CC[C@H](C=NNc2cccc(F)c2[N+](=O)[O-])C1 800817939 ZXFLSMGGHTXZBN-UWVGGRQHSA-N 265.288 3.568 30 20 CHED Cc1nn(C)c2sc(C(=O)/C=C\c3cccs3)cc12 806578947 PYEWFLWHOAYGIS-WAYWQWQTSA-N 288.397 3.901 30 20 CHED C[C@@H]1CCCC(=NNc2nccnc2C2CCC2)[C@@H]1C 807991431 LORSEVXMDLYPMC-VXGBXAGGSA-N 272.396 3.968 30 20 CHED C[C@H](c1cccs1)[S@@](=O)Cc1ccccc1C#N 802758162 JEFPKJXOPMNOST-ZMZPIMSZSA-N 275.398 3.630 30 20 CHED CCSCC(=NNc1ccnc(F)c1)c1ccccc1 807982685 JPZWLVGJAKNGKO-UHFFFAOYSA-N 289.379 3.790 30 20 CHED CCc1cc(NC(=O)NCc2ccc(C#N)cc2)ccc1F 806557971 NQQWJUNYAQBGIB-UHFFFAOYSA-N 297.333 3.581 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCC(C)(C)O1 480510513 QBYSXNLUMHVICT-QGZVFWFLSA-N 289.419 3.641 30 20 CHED C=CCN(CCOC)C(=O)C[C@H](CC)c1ccc(C)cc1 482352748 UMLNNNGLWVFSHM-INIZCTEOSA-N 289.419 3.540 30 20 CHED CC(C)[C@H]1CC(=NNc2c(F)cccc2F)CS1 814852624 IJBKLMMCDOKWTN-GFCCVEGCSA-N 270.348 3.894 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 484228458 DFGJBOJNHNNYGJ-AWEZNQCLSA-N 299.345 3.812 30 20 CHED C=CCC1(C(=O)N2CC3(CCOCC3)C[C@H]2C)CCCC1 648618597 LZCZVGDJEWSCPN-OAHLLOKOSA-N 291.435 3.541 30 20 CHED CCCCCN(CCCOC)Cc1ccc(C#N)c(F)c1 484097050 KMJZIPWEUDWSTI-UHFFFAOYSA-N 292.398 3.726 30 20 CHED C=CCC(C)(C)CNCc1cc(Cl)c(F)cc1O 816628222 MGQUDGMIGGXEOL-UHFFFAOYSA-N 271.763 3.877 30 20 CHED C=CCOCC(=O)N(c1ccsc1)C1CCCCC1 487254028 KOKRUKCAXBHMLN-UHFFFAOYSA-N 279.405 3.616 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1cn(C)c2ccccc12 488813497 IGAJIEXSSMUYRN-INIZCTEOSA-N 296.414 3.678 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(C#N)s1 487768954 DNUYTBRDHUDNSO-CMPLNLGQSA-N 276.405 3.564 30 20 CHED C=CCCCNC(=O)NCc1cccc2ccsc12 651067851 AZQLQXIGKSSPQX-UHFFFAOYSA-N 274.389 3.667 30 20 CHED C=CCC1(C(=O)NCCCc2cccs2)CCC1 570259259 KQWBWBDKDPVHHA-UHFFFAOYSA-N 263.406 3.543 30 20 CHED C=C(C)CN1CCC(N[C@@H](CCC(C)C)C2CC2)CC1 574458978 FHMUJJSNWYQWKF-SFHVURJKSA-N 278.484 3.831 30 20 CHED Cc1ccc(CC(=NOCCOC(C)C)C2CC2)cc1 812238961 JBXFIAXZYPEIFF-UHFFFAOYSA-N 275.392 3.745 30 20 CHED Cc1cc(C)cc(NN=C2CC[C@H](CC(=O)O)[C@@H]2C)c1 814753593 QVBCXXXIVFYZNB-QWHCGFSZSA-N 274.364 3.592 30 20 CHED COc1cc(OCC[C@H]2CC2(Cl)Cl)ccc1C#N 818084570 ZXBGMQDNSJDRFL-JTQLQIEISA-N 286.158 3.530 30 20 CHED C=CCCCCCN(C)Cc1cc(C(C)(C)C)n[nH]1 488985190 QWWVFYZEINYKDU-UHFFFAOYSA-N 263.429 3.885 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2snc(Cl)c2C#N)o1 725788278 PUVYLIRXNJLJCV-IONNQARKSA-N 293.779 3.997 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1ccc(F)c(C#N)c1 570274824 ALOBFZVCQZMDED-UHFFFAOYSA-N 296.345 3.668 30 20 CHED C=C[C@@H]1OCCC[C@H]1Nc1ccnc2c(F)cccc12 829041917 UENDLPDJSBCLMC-CABCVRRESA-N 272.323 3.519 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@@H]1CCCC[C@H]1C 820742664 XBSZSHZJDFVXKC-IIAWOOMASA-N 268.397 3.585 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(O)cccc1Cl 820559777 ZARGNPQEAYKMQH-SECBINFHSA-N 253.729 3.586 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C)CC1 573983790 CZJZSYPYRDHFLI-UHFFFAOYSA-N 290.455 3.679 30 20 CHED CCC(C)(CC)C(=O)Nc1ccc(C#N)cc1C(C)=O 661899660 VYMGPDBOJZGHHS-UHFFFAOYSA-N 272.348 3.526 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CSc2ccccc21 664162542 SJLVNFPZQDUZSA-ZDUSSCGKSA-N 290.432 3.877 30 20 CHED CCC[C@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 497228171 KIWWKKGZYHIEAO-HNNXBMFYSA-N 272.392 3.578 30 20 CHED Cc1cc(N2CCC(C)(c3ccccc3)CC2)cc(C#N)n1 583769958 DDKGSDVJNQTZDY-UHFFFAOYSA-N 291.398 3.820 30 20 CHED O=C1/C(=C\c2ccc(O)c(Cl)c2)Cc2cc(O)ccc21 588535106 JPGAUYOWJJASJV-WZUFQYTHSA-N 286.714 3.574 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)nc2C)C1 823080468 ZJFYNAIRHNSLPZ-LBPRGKRZSA-N 293.798 3.863 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(C(F)F)ccc1Cl 497250213 WANFRTRSGCDGBY-ZETCQYMHSA-N 274.698 3.974 30 20 CHED C=CCC(C)(C)c1noc(COc2ccc(F)cc2)n1 583757890 LEIXWGVZQIBEAF-UHFFFAOYSA-N 276.311 3.641 30 20 CHED CC(C)(C#N)CCCSCCCOC(F)(F)F 902458915 NCBVXEIJROOANA-UHFFFAOYSA-N 269.332 3.976 30 20 CHED C=CCC(C)(C)c1noc(-c2csc(C(C)=O)c2)n1 582732532 DFTLJDTXKDCWHW-UHFFFAOYSA-N 276.361 3.854 30 20 CHED C[C@@H](C(=O)N(C)CC(C)(C)C#N)c1ccc2ccccc2c1 497330749 CWBVYORAPJWVLE-CQSZACIVSA-N 294.398 3.951 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ncc(Br)cc1C 903988341 YPAGRBPKGZEXDB-SNVBAGLBSA-N 297.196 3.693 30 20 CHED C=C(C)CNC(=O)COc1ccc(Cl)c2ccccc12 490035589 TUROVKRQPDQKEN-UHFFFAOYSA-N 289.762 3.564 30 20 CHED N#Cc1cnc(/C=C\c2ccccc2OC2CCCC2)cn1 905080625 IOZGGURBVWPCDS-KTKRTIGZSA-N 291.354 3.840 30 20 CHED Cc1ncccc1/C=C1/CCc2ccc([N+](=O)[O-])cc2C1=O 588598690 XRLSJIKWEYUYKO-ZROIWOOFSA-N 294.310 3.511 30 20 CHED Cc1ccc(CN2CCCC2)cc1NC(=O)C#CC(C)(C)C 837482253 WJIRNCIOSXZDOY-UHFFFAOYSA-N 298.430 3.579 30 20 CHED N#CCc1ccc(COC(=O)[C@H]2CCCCC2(F)F)cc1 835273901 SWAWPOQVNYYLAV-CQSZACIVSA-N 293.313 3.621 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@H]1CCC[C@H](C#N)C1 839052302 NEDJVTGDVKURFR-KBPBESRZSA-N 297.354 3.909 30 20 CHED CC(C)(C)c1nc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cs1 839049096 HIOINDQYHMXXPT-MNOVXSKESA-N 292.404 3.680 30 20 CHED Cc1nsc(SCC2CCCCC2)c1C#N 581905145 SIRMXRIYIRCKJV-UHFFFAOYSA-N 252.408 3.996 30 20 CHED CC[C@@H](N[C@H]1CCc2c(O)cccc21)c1cccc(C#N)c1 902794717 YLAMEEQVOOYQMH-MSOLQXFVSA-N 292.382 3.992 30 20 CHED CCN(Cc1ccccc1C)c1ccc([N+](=O)[O-])c(C#N)c1 589585809 LPCUARNLFQMZOO-UHFFFAOYSA-N 295.342 3.801 30 20 CHED CC1(C)OCC[C@@H]1NN=C1C[C@@H](c2ccccc2)C1(C)C 835017025 JPSOSKINXWHHPQ-GJZGRUSLSA-N 286.419 3.713 30 20 CHED CCC(Cc1cccs1)=NN[C@@H](C)C(F)(F)F 835000214 JQGGMCRFHOMKEY-QMMMGPOBSA-N 264.316 3.597 30 20 CHED c1ccc(NN=C(CC2CCCCC2)c2ncccn2)nc1 733907899 XGGVOOPZILVNNT-UHFFFAOYSA-N 295.390 3.658 30 20 CHED N#CC1(CCCCOC(=O)c2cnc(C3CC3)o2)CCC1 909487169 KWPGZEGVUDVOOW-UHFFFAOYSA-N 288.347 3.573 30 20 CHED C=CC(C)(C)Cc1nc(Cc2ccccc2C)no1 904650704 QNQNVKQCYVRBLS-UHFFFAOYSA-N 256.349 3.724 30 20 CHED N#CC1(CCCCOC(=O)C2CCSCC2)CCC1 909006678 HJJGRUQTZCLGLO-UHFFFAOYSA-N 281.421 3.537 30 20 CHED C=CC[C@@H](NC(=O)c1cc2occc2s1)c1ccncc1 736091133 COCAKAXEBVSKEH-GFCCVEGCSA-N 298.367 3.937 30 20 CHED CCc1c(C)sc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1C#N 581653045 GIAROKPNASCTAL-GMXVVIOVSA-N 288.416 3.865 30 20 CHED C=CCNC(=S)NCC1CCC(c2ccccc2)CC1 730951134 HMADRIIWGXXDNA-UHFFFAOYSA-N 288.460 3.611 30 20 CHED C=CCC1(C(=O)OCc2ncc(Cl)n2C)CCCCC1 838150848 SLNXKUKUHLDTOG-UHFFFAOYSA-N 296.798 3.643 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 839039593 QNYWWDCEOKJBTR-GMTAPVOTSA-N 282.792 3.850 30 20 CHED C=CCN(C(=O)[C@@H](C)Sc1ccc(OC)cc1)C(C)C 917659343 WWRXSLYGVPQQSN-CYBMUJFWSA-N 293.432 3.599 30 20 CHED Oc1cccc(/C=N/[C@H](Cc2ccccc2)C2CC2)c1O 736430838 JQEDJZCXDXOCNW-PUMYGXPMSA-N 281.355 3.538 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)F)C1 596933313 JUPHNKAXDHNQMI-NSHDSACASA-N 293.317 3.782 30 20 CHED C#CCCCCC(=O)N(C)Cc1ccc(OC)c(Cl)c1 839887468 OOVZCHRWBJMXTG-UHFFFAOYSA-N 293.794 3.501 30 20 CHED C=CCCS(=O)(=O)N(CCCC)[C@H](C)c1ccc(C)o1 675755825 ZCBXUTBZLQFSKB-CQSZACIVSA-N 299.436 3.657 30 20 CHED CC1=C(C)C[C@@H](C(=O)NC2(c3cccc(C#N)c3)CC2)CC1 592609471 LRDYVONTMDSNMR-INIZCTEOSA-N 294.398 3.800 30 20 CHED CCCCCCCC(=O)OCc1nc2ccccc2n1C 918524264 ZGPYWPJJSCREKQ-UHFFFAOYSA-N 288.391 3.977 30 20 CHED CCSc1ccccc1C(=O)OCC1(CC#N)CC1 744277572 UGZOXYHMXJQYLJ-UHFFFAOYSA-N 275.373 3.649 30 20 CHED CCCCCCCCCN(C)C(=O)NCC1CCOCC1 749187264 DDQWRNKAWFVQFB-UHFFFAOYSA-N 298.471 3.805 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cc(F)ccc1C 748921401 HHYLZWQUZDIDCZ-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=C(Cl)CNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 743620996 VDAHBIDHIMCIOO-HZMBPMFUSA-N 296.773 3.671 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCC[C@H](CC#N)C1 597904128 DCQPJEAKAFFVLI-UONOGXRCSA-N 264.413 3.601 30 20 CHED CC(C)c1csc(SC[C@@H](C#N)CCC#N)n1 844275722 GICSYXCEWSMLGM-SNVBAGLBSA-N 265.407 3.802 30 20 CHED C[C@@H](OC(=O)CCCc1cccnc1)c1ccc(C#N)cc1 849860521 DRCRFUUGGCYENM-CQSZACIVSA-N 294.354 3.580 30 20 CHED CCOc1ccc(/C=N/C[C@H](C)CC(F)(F)F)c(O)c1 840711831 CMPPAHPUZMCVIY-SVXRXWARSA-N 289.297 3.798 30 20 CHED N#Cc1c[nH]c(C(=O)OCc2c(Cl)cccc2Cl)c1 748222761 IZZKPDPKOJJVDZ-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@H](SCC)C1)C(C)C 748968129 MZPGLBXQLQACCP-KBPBESRZSA-N 284.469 3.657 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@H]1CCc2ccccc21 678881347 GVRJLUCWINLYGN-GDBMZVCRSA-N 271.404 3.968 30 20 CHED O=[N+]([O-])c1ccc(NN=C/C=C\c2ccc(F)cc2)cc1 747737350 ZAGJUWMLSUOUEF-PCACMUMPSA-N 285.278 3.845 30 20 CHED C[C@H]1CN([C@@H](C#N)c2ccccc2)Cc2ccccc2O1 595508443 ADUCVFDXJSBTPK-YOEHRIQHSA-N 278.355 3.534 30 20 CHED C#Cc1cccc(NC(=S)NCc2ccccc2CC)c1 740628622 JDNSIWRONFVFDO-UHFFFAOYSA-N 294.423 3.717 30 20 CHED CC[C@@H](CC#N)N[C@@H](CC)Cc1ccc(Cl)cc1 597086972 QANIABFDMHAXMO-GJZGRUSLSA-N 264.800 3.943 30 20 CHED N#CCC1(CNc2ccc3c(cnn3C(F)F)c2)CC1 594703665 SPABKKQKMBGBLF-UHFFFAOYSA-N 276.290 3.537 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1cccc(F)c1 915967929 PWYVQHSLBXNUJM-UHFFFAOYSA-N 282.322 3.549 30 20 CHED CCN(C(=O)[C@H](C)Sc1ccc(Cl)cc1)[C@H](C)C#N 598354804 UFYFVLZZSYKCIN-MNOVXSKESA-N 296.823 3.581 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cccc(CC#N)c1 840823661 OSUXBKUQMKLBEV-DOMZBBRYSA-N 287.432 3.618 30 20 CHED C=CC[C@H]1N(C(=O)N[C@@H](C)CCC)CCCC1(C)C 683529614 HDZOTENPWHVLTI-UONOGXRCSA-N 266.429 3.951 30 20 CHED N#C[C@H](OC(=O)c1ccc(C(F)F)nc1)C1CCCCC1 847692405 OHZKMGSJHWOKFA-ZDUSSCGKSA-N 294.301 3.648 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1cccc2cc[nH]c12 745542943 BPQUSKFNAPFIPB-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC(C)(C)C[C@H]2C)cc1 840970804 WVBFADVXNGKRHO-ZIAGYGMSSA-N 272.392 3.598 30 20 CHED N#CCC[C@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccccc1 593104079 ARKDKKYCJWOEJQ-ATLSCFEFSA-N 294.398 3.750 30 20 CHED CC(C)O[C@H]1C[C@@H](/N=C/c2c(O)ccc3ccccc23)C1 840709974 GYCKHNOSERYCDW-FKSQXNRSSA-N 283.371 3.920 30 20 CHED C=C(C)COC(=O)C1(c2ccc(Br)cc2)CC1 844259013 UCVGXOGNKYOYTD-UHFFFAOYSA-N 295.176 3.600 30 20 CHED C=CC[C@H](C(=O)N(C)Cc1ccn(CC)c1)c1ccccc1 682945496 KVSVIYGIJIROSL-SFHVURJKSA-N 296.414 3.826 30 20 CHED N#CC1(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCC1 746051398 TZNVGNOMJMKXBL-SOUVJXGZSA-N 275.392 3.972 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)CCCc2cccnc2)c1 840712082 VFYRMAZXOVUEGH-DABDWFRDSA-N 298.386 3.626 30 20 CHED CCCCCC[C@H](C)NN=C(C)c1ccc(N)cc1 743451004 WRUOZWFHKMGXHJ-ZDUSSCGKSA-N 261.413 3.941 30 20 CHED CC[C@@H](C#N)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 593427638 WOZLMSZPPHTQEM-VIFPVBQESA-N 297.185 3.648 30 20 CHED N#CCC1(CNc2cc(F)ccc2OC(F)F)CC1 594702599 JZZKNSZQMZCEQY-UHFFFAOYSA-N 270.254 3.533 30 20 CHED CCOc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)cc1 849243245 RPHAKDBSTBKREH-KHPPLWFESA-N 296.370 3.592 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(C)c(C)cc2C)n(C)n1 841486540 AHKZKTMZMGGCFD-SREVYHEPSA-N 268.360 3.550 30 20 CHED CC(C)Cn1nccc1/C=C1\CCc2ccc(F)cc2C1=O 843270325 ZBXUTVAEZUBPNU-NTEUORMPSA-N 298.361 3.891 30 20 CHED C[C@]1(C=NNc2ccc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 841618204 BCSISPZFKAXBRB-GDBMZVCRSA-N 296.330 3.581 30 20 CHED C=C(Cl)CNC(=O)c1c(C)[nH]c2ccc(Cl)cc12 751981501 BDIVTEZCFNURJC-UHFFFAOYSA-N 283.158 3.612 30 20 CHED CCCCCCCCC/C=C/C(=O)N[C@H]1CCOC1 752419915 VUZHKGARWXYXGP-NKSUMMKUSA-N 267.413 3.588 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)NCCC#N 854028354 XGYMHFSPQWKNLM-AWEZNQCLSA-N 267.417 3.538 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1ccc(C#N)s1 750714289 VDXYLBUPNFCKNF-JFGNBEQYSA-N 263.362 3.601 30 20 CHED Cc1cc(F)ccc1C=NNCc1cccc(Cl)c1 756830793 CGPRLJUYIBKACN-UHFFFAOYSA-N 276.742 3.911 30 20 CHED C=C[C@@H](OC(=O)CSC(C)C)c1ccccc1 851453622 RVJIOVNCMQPFOL-CYBMUJFWSA-N 250.363 3.599 30 20 CHED O=C(/C=C/C1=Cc2ccccc2OC1)c1ccc(F)cc1O 757475040 GBIRNKLDWMHAFE-VMPITWQZSA-N 296.297 3.746 30 20 CHED Oc1cccc(C=NOc2ccccc2C(F)(F)F)c1 754723809 KCLWAWUQMBYXJU-UHFFFAOYSA-N 281.233 3.824 30 20 CHED C#CCCCCNC(=S)Nc1ccc(C(C)C)cc1 758434782 ZFBNHIQOHXNRNO-UHFFFAOYSA-N 274.433 3.900 30 20 CHED CCc1nc2ccccc2n1N=Cc1csc(C2CC2)n1 920371413 IYAJYENWPBACLK-UHFFFAOYSA-N 296.399 3.815 30 20 CHED COC1(COC(=O)CC2(C#N)CCCCC2)CCCCC1 850986742 UWHBYORGDJFTRM-UHFFFAOYSA-N 293.407 3.743 30 20 CHED CCc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851213757 JSKUUXCFQUPGIV-GFCCVEGCSA-N 259.349 3.734 30 20 CHED CCCCCCCCNC(=O)[C@@H]1OCCc2ccccc21 754852455 BPOBQXBZABOEQH-QGZVFWFLSA-N 289.419 3.777 30 20 CHED CC1(C)C(=NNc2ccc(Cl)cn2)[C@H]2CCC[C@H]21 853435080 LUAVTGDFRPXQMW-WDEREUQCSA-N 263.772 3.959 30 20 CHED C=CCCSCCNCc1cccc2ccoc12 1346847881 VTSZOMOCWZOVIJ-UHFFFAOYSA-N 261.390 3.832 30 20 CHED C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C[C@H](C)C1 931712049 NYQZATHAFWWGSG-VXGBXAGGSA-N 289.354 3.597 30 20 CHED CCCCCCCCNC(=O)[C@H]1Cc2ccccc21 754853326 FIFHCDIJFCYHSG-INIZCTEOSA-N 259.393 3.803 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1CCCc2cn(C(C)C)nc21 853474076 VEAKACZFRWISOB-OAHLLOKOSA-N 295.390 3.529 30 20 CHED CCCCCCCCNC(=O)c1ccn(C(C)C)n1 754842603 PZZJMSTZDHIZDP-UHFFFAOYSA-N 265.401 3.554 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)Cc2c(F)ccc(F)c21 759082467 FFRYYUMPXUFILA-GQCTYLIASA-N 297.713 3.897 30 20 CHED Cc1oc2ccccc2c1CC(=O)[C@H](C#N)c1ccccn1 767958481 FWQLZBZOVOIAPK-OAHLLOKOSA-N 290.322 3.555 30 20 CHED C=CCCCCNC(=S)Nc1ccc(C)cc1C 769760737 PYWHCELMTJWQPE-UHFFFAOYSA-N 262.422 3.946 30 20 CHED COc1ccsc1C(C)=NNCc1ccc(Cl)cc1 769792516 ILVRSAIIEJVLMY-UHFFFAOYSA-N 294.807 3.924 30 20 CHED FC(F)(F)CON=Cc1c(Cl)oc2ccccc12 761268272 YUBQVGCJFKLGAI-UHFFFAOYSA-N 277.629 3.999 30 20 CHED CC(CCCCO)=NNc1ccc(C(F)(F)F)cc1 766716991 UOKAACVRXQVDNI-UHFFFAOYSA-N 274.286 3.656 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@](C)(CC)c1nc(C)cs1 933480957 XMEXSDYMICJJIZ-DOMZBBRYSA-N 280.437 3.795 30 20 CHED CCOc1ccc(/C=N\CCC[C@@H]2CCCCO2)c(O)c1 761016176 VGKDBJLDSUYLNP-LUJRCDHRSA-N 291.391 3.559 30 20 CHED N#Cc1ccc(CNCCCCc2ccccc2)cc1 132099052 NDVJONYQCREKAI-UHFFFAOYSA-N 264.372 3.671 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc2nccnc2c1 768359628 XMNUOFXUURCOAE-UHFFFAOYSA-N 297.358 3.507 30 20 CHED CC#CCCCC(=O)O[C@H](C)CCc1ccccc1 767682920 XRAJSUXXTPWUCH-OAHLLOKOSA-N 258.361 3.745 30 20 CHED C#Cc1cccc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 766447450 QXXSQLXVJDXQCN-UZLBHIALSA-N 290.410 3.915 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCc3ccc(Cl)cc32)C1 769846874 QUPOZLZEUSMEKY-DGFSRKRXSA-N 260.768 3.609 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1sccc1C)CO2 1115829135 HQUVMZBEHWOIMC-XFFZJAGNSA-N 286.352 3.724 30 20 CHED CCOCCON=C(C)[C@H](C)c1nc2ccccc2s1 774439031 RXJDABKWGQZATN-NSHDSACASA-N 292.404 3.829 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1ccc(N)cc1 777449489 WGOLCNYOHAGAAJ-IBGZPJMESA-N 295.430 3.850 30 20 CHED C[C@@H](Nc1ccc2c(c1)CCO2)c1ccc(C#N)c(F)c1 777036772 ITZBBDAYDRJONN-LLVKDONJSA-N 282.318 3.805 30 20 CHED CCS[C@H]1CCC[C@@H](Nc2cccc(CC#N)n2)C1 1116661936 MHWUYXPPBSYBKS-KGLIPLIRSA-N 275.421 3.624 30 20 CHED O=C(/C=C/c1cccc(Br)n1)c1cccs1 777912346 VMUJRGXHZPNYHR-VOTSOKGWSA-N 294.173 3.802 30 20 CHED CC(C)(C)c1nc(C=NOC2CCCC2)cs1 774596648 JMEZOMDMMZSDTA-UHFFFAOYSA-N 252.383 3.734 30 20 CHED C[C@H](NN=Cc1ccc(N2CCCC2)cc1)C(C)(C)C 1117678751 GVHHNBZDZTUXLP-AWEZNQCLSA-N 273.424 3.645 30 20 CHED C[C@H]1CCCCN(C(=O)c2ccccc2SCC#N)C1 772637111 AVBRMRFHNUKGIJ-ZDUSSCGKSA-N 288.416 3.564 30 20 CHED CC(=NNc1ccc(F)cc1)c1cccc(F)c1F 776258716 UGUXPHWIDQUILM-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C(=O)c1csc(C#N)c1 1117752510 HWPJTKLKPWRCRY-OAHLLOKOSA-N 298.411 3.713 30 20 CHED c1ccc2c(c1)CSCC2=NOC1CCCCC1 777459383 OSROVYIUOMUCTM-UHFFFAOYSA-N 261.390 3.987 30 20 CHED N#Cc1ccc(OCCCOc2ccccc2)c(F)c1 62665798 QURGHHWNGVHCBY-UHFFFAOYSA-N 271.291 3.545 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)[C@H]1CCCN(C(=O)OCC)C1 776864277 JEUDMIDAGFWMKQ-JYJNAYRXSA-N 296.455 3.578 30 20 CHED C=CCCCC(=O)N1CCC(c2ccc(C#N)cc2)CC1 887703090 DEMHRUQYWCEKNW-UHFFFAOYSA-N 282.387 3.621 30 20 CHED CCOc1cccc(/C=N/Cc2cccc3cc[nH]c23)c1O 786027738 QCRCPNCBIKJNPD-XDHOZWIPSA-N 294.354 3.891 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 880219635 PHSULIRBBDFWGO-INIZCTEOSA-N 286.419 3.776 30 20 CHED C[C@@H](CC(=O)OCCCC#N)c1c[nH]c2ccccc12 786479954 ZULWFWPHLPLGEN-LBPRGKRZSA-N 270.332 3.508 30 20 CHED C=C(CC(C)C)C(=O)NCc1nc2ccccc2s1 1123488048 CCNFGUKMQSLMJW-UHFFFAOYSA-N 274.389 3.515 30 20 CHED Cc1ccnc(N2CCC(c3ccc(F)cc3)CC2)c1C#N 784162155 DPNNEFIMMVCJLO-UHFFFAOYSA-N 295.361 3.785 30 20 CHED COCC(=NNc1cccc(Cl)c1)C1CCCC1 780187118 ANKJNWRPPRWASU-UHFFFAOYSA-N 266.772 3.945 30 20 CHED N#CCc1cccc(NC(=O)c2ccsc2Cl)c1 1460141321 JJJNOBPQDRZHIL-UHFFFAOYSA-N 276.748 3.720 30 20 CHED Cc1ccc(F)cc1COC(=O)c1ccc(CC#N)cc1 782300490 IOJKCBTUUIEHGU-UHFFFAOYSA-N 283.302 3.557 30 20 CHED CC[C@H]1CCC[C@@H](CNCc2ccc(OCC#N)cc2)C1 784534247 KLQBOHAQRNRULA-DOTOQJQBSA-N 286.419 3.895 30 20 CHED COc1cc(C(C)=NNc2cc(C)ccc2C)ccn1 782165212 CMNSWYYCHZXSMH-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C=CCCCCCOC(=O)c1ccc(NC(C)=O)c(F)c1 784986597 CNMOLWMJWCUBOC-UHFFFAOYSA-N 293.338 3.687 30 20 CHED COc1ccc(NN=C[C@H](C)c2cccc(Cl)c2)nc1 780275862 HDNVUROGUHGKBX-NSHDSACASA-N 289.766 3.945 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccsc1 782329595 UBKQIWCXAGSVON-ONEGZZNKSA-N 261.371 3.978 30 20 CHED Cc1cc(C#N)ccc1N[C@@H](c1ccccn1)C1CC1 895798239 CUDLYFLWMZJUAN-QGZVFWFLSA-N 263.344 3.825 30 20 CHED N#CC[C@H](CC(=O)OCCc1cccs1)c1ccccc1 795987380 UZXCZDMNUFIEEX-OAHLLOKOSA-N 299.395 3.921 30 20 CHED Cc1ccc(F)c(NCc2ccc(F)c(C#N)c2)c1 83429851 ZXFHUAZYMHBBRP-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC(C)Cc1ccccc1C(=O)[C@H](C#N)c1ccccn1 791770856 APWSSQJXQYGJQD-MRXNPFEDSA-N 278.355 3.770 30 20 CHED C=C1CCN(Cc2cc(F)ccc2Br)CC1 513467217 SBRBDDUZQBEIJO-UHFFFAOYSA-N 284.172 3.740 30 20 CHED C=C1CC(c2noc(-c3cccc([C@H]4CCOC4)c3)n2)C1 896884299 OTESTRJJSOEHHU-AWEZNQCLSA-N 282.343 3.674 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)[C@H](C#N)CCc2ccccc2)C1 1136825333 RBRNVMUQUZMEDY-NUJGCVRESA-N 298.430 3.796 30 20 CHED CC(=NNc1nccn1C)[C@@H](C)c1nc2ccccc2s1 790299335 CIIKXOJKABFEQQ-SNVBAGLBSA-N 299.403 3.621 30 20 CHED Clc1cccc(C#CCN2CC[C@@H](c3ccccn3)C2)c1 799194002 CGHYNDBZBKVPJZ-MRXNPFEDSA-N 296.801 3.576 30 20 CHED CCCCCCCC(=O)N(C)c1ccccc1C(=O)O 59082213 KTCKNRLSAIXCFV-UHFFFAOYSA-N 277.364 3.708 30 20 CHED C=CCCCCC[C@@H](C)Nc1cccc(C(N)=O)c1OC 793548868 AVWVGMGJHPKFBV-CYBMUJFWSA-N 290.407 3.731 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C(\C)Cc1ccccc1OC 798554553 RBZMEGFUYQEOQK-FIFPYPGSSA-N 287.403 3.655 30 20 CHED C=CCOCCOC(=O)C1(c2ccccc2C)CCCC1 797309953 NNWYFMDYPHLFQM-UHFFFAOYSA-N 288.387 3.553 30 20 CHED C[C@@H](NN=Cc1csc(Br)c1)C(C)(C)C 793115150 KRMFQFCZHNIPRB-MRVPVSSYSA-N 289.242 3.869 30 20 CHED Cc1cccnc1NN=Cc1cc(F)cc2cccnc12 790193215 YMVGSYHTIUEBIH-UHFFFAOYSA-N 280.306 3.523 30 20 CHED CC1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 565398572 VUYVJGRXLYPJRB-HOTGVXAUSA-N 254.377 3.558 30 20 CHED CC[C@@H](C)CON=C1CCC2(CCOCC2)CC1 793163182 GZBDTFVIUUHLNF-CYBMUJFWSA-N 253.386 3.776 30 20 CHED COc1ccc([C@@H](C)C(C)=NNCCC(F)(F)F)cc1 794553334 QPXGSPLCECTVCW-JTQLQIEISA-N 288.313 3.717 30 20 CHED C#C[C@@H](CCC)/N=C\c1cc(Cl)cc(Cl)c1O 790098278 FYWKIWHUIMGIAC-FSKGUYTJSA-N 270.159 3.920 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccncc1C(F)(F)F 1148041230 JUPZXAOCMUWXMJ-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C/C(=C\Cl)CS[C@H](C)C(=O)Nc1cccc(C#N)c1 797815557 SXODSXHLOXTLLW-PFEDMVJOSA-N 294.807 3.761 30 20 CHED COc1cc(C=NNc2ncccc2C)ccc1SC 790192945 KYUHLIQCXHGJEF-UHFFFAOYSA-N 287.388 3.567 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccc(C(F)F)cc1 794939302 VELTWAMUDYJOPH-VMPITWQZSA-N 276.286 3.562 30 20 CHED C=CCC1(C(=O)OCCCOc2ccc(C#N)cc2)CCC1 791563342 XSHPXHDVEVWAEW-UHFFFAOYSA-N 299.370 3.617 30 20 CHED Cc1cc(C)c(C=NNc2ncccc2C)c(C)c1 790185941 LLKLSGKGRKAEID-UHFFFAOYSA-N 253.349 3.761 30 20 CHED CCC(CC)NN=Cc1cscc1Br 794907881 FDGLMULKGAAGJS-UHFFFAOYSA-N 275.215 3.623 30 20 CHED C[C@H](CCc1ccccc1)N[C@H](C)CC(C)(C)C#N 695816609 PFZYZBBUHIIUCK-HUUCEWRRSA-N 258.409 3.926 30 20 CHED Cc1ccc(C#N)c(NCCc2ccc(C)c(C)c2)n1 1307161268 LJJXEVCZFHMEQJ-UHFFFAOYSA-N 265.360 3.533 30 20 CHED N#Cc1cc(Br)ccc1Oc1nccs1 1162781570 UIDRIVDXNMRCGX-UHFFFAOYSA-N 281.134 3.570 30 20 CHED N#Cc1cc(F)cc(NCc2cc(O)cc(Cl)c2)c1 1308490900 GZXKTQGEKBEXJE-UHFFFAOYSA-N 276.698 3.668 30 20 CHED CC(CCC1CCCCC1)=NNCC1CCOCC1 1318599738 IPJYNRZEAGPTKM-UHFFFAOYSA-N 266.429 3.739 30 20 CHED C[C@@H]1CCCC[C@H]1CN1CCc2ccc(C#N)cc21 1168926227 YWZJDLLJCLJMLJ-CJNGLKHVSA-N 254.377 3.747 30 20 CHED CCCC[C@H](Nc1cc(C#N)nc(CC)n1)C1CCC1 1162819210 RVFQXWDCOWMHBI-AWEZNQCLSA-N 272.396 3.681 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCCOc1ccccc1 1320629705 ITWRARNHWVJTFI-KRWDZBQOSA-N 275.392 3.564 30 20 CHED CC(C)c1ocnc1CSCC1(C#N)CCC1 1325355148 HMYFICRDTXFQBG-UHFFFAOYSA-N 250.367 3.725 30 20 CHED C=C[C@H](COC)NC(=O)Nc1ccccc1SC(C)C 1320427417 YPDOKSXVVVMWKH-GFCCVEGCSA-N 294.420 3.510 30 20 CHED CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nc2ccccc2[nH]1 1321354197 CDKXRJMDICPSRE-WWGRRREGSA-N 282.391 3.542 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(C)c(Cl)c1Cl 1328887780 RYQBENQPZSMACH-VIFPVBQESA-N 285.174 3.835 30 20 CHED COc1cc(C=NNc2ccc(F)cc2F)ccc1F 1253612908 UJQVURSOZNACHW-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CC(C)C[C@H](C)C=NNc1ccc(C(C)(C)C)nn1 1256542050 HHSNVPNBFRQZKC-LBPRGKRZSA-N 262.401 3.854 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1ccc(F)cc1F 1337121422 DZKNYCXNJUNISY-CLTKARDFSA-N 290.265 3.575 30 20 CHED CC(=NNCC1CCOCC1)[C@H](C)c1ccc(Cl)cc1 1344416413 RRERRUTXHIAXNK-LBPRGKRZSA-N 294.826 3.836 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1349109717 KYJGCULCXOAXLV-GVDBMIGSSA-N 296.414 3.955 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(Cl)c(NC(C)=O)c1 1263713072 XNDPOUDABGGHTF-UHFFFAOYSA-N 294.782 3.839 30 20 CHED CCC[C@@H](CC)C(=O)OCc1ccc(CC#N)cc1 1266639750 HZWPRJZGAUICDB-OAHLLOKOSA-N 259.349 3.622 30 20 CHED C[C@@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1435244182 YAMNDFIXLVAFOY-GFCCVEGCSA-N 298.773 3.632 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)s2)CC1 1435981904 RBCLJIRGNHAMGO-CHWSQXEVSA-N 290.432 3.954 30 20 CHED CCCC[C@@H](CC)CNC(=O)C1(C#N)CCCCC1 218725952 NNWRRIKTUYUMFD-CQSZACIVSA-N 264.413 3.793 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 1351697171 MIGIWSYOCZEPRK-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED C=CCC1(C(=O)N2CCc3cc(O)ccc3C2)CCCCC1 1515044177 SNKZCCLEBIVTSG-UHFFFAOYSA-N 299.414 3.804 30 20 CHED CCOC(=O)CCCCCOc1ccc(C#N)c(Cl)c1 220980295 URMYKZPDQJJWEV-UHFFFAOYSA-N 295.766 3.714 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1518213406 QYMYWSGCHHLHJW-WOSRLPQWSA-N 271.360 3.989 30 20 CHED CCc1nc(C#N)cc(N2CCCC3(CCCCCC3)C2)n1 1458231064 RSQPLBZIQHKVTN-UHFFFAOYSA-N 298.434 3.851 30 20 CHED CC1(C)CCCC1=NNc1ccc(F)c(C(=O)O)c1 1604533700 OKUGTJSFBCGFOO-UHFFFAOYSA-N 264.300 3.502 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2sccc2Cl)c1 1608985912 VKSFJCMUWZTKAO-OWOJBTEDSA-N 282.704 3.589 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(CC#N)cc1 1537111061 DXVBFJULYVQVGV-KRWDZBQOSA-N 284.403 3.793 30 20 CHED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)c2)C[C@@H](c2ccccc2)C1 1472804954 SGBLKXNEYHJSFJ-ZVZYQTTQSA-N 291.398 3.759 30 20 CHED Cc1cc(N2CCC[C@]2(C)Cc2ccccc2)ncc1C#N 1559159792 RSJZMUVBYARQMJ-LJQANCHMSA-N 291.398 3.863 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3c2N=S=N3)s1 1623738848 FDTQNTWOAJDMCK-UHFFFAOYSA-N 286.341 3.598 30 20 CHED Cc1nc(N[C@@H]2CCC[C@H](C(C)C)C2)ccc1C#N 1639443714 XWSZVGVSWMIEOA-DZGCQCFKSA-N 257.381 3.888 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)NCC1(C#N)CCC1 1564927244 PLXBGXRIUMKEFU-GJZGRUSLSA-N 291.439 3.586 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)cc1C(F)(F)F 121083763 FSBLGRDBLRWECN-UHFFFAOYSA-N 287.256 3.977 30 20 CHED C=CCCC[C@H](Nc1ccc(C(=O)O)nn1)c1ccccc1 1573364654 ACUGGNFHOPIJJQ-AWEZNQCLSA-N 297.358 3.684 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2Cl)c2ccccc2O1 1641799954 PPHCCLZZOHCSBA-LBPRGKRZSA-N 298.773 3.999 30 20 CHED COc1cc(CNc2cc(F)cc(Cl)c2)ccc1C#N 230009158 OCQOWYHVFXVQHJ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED COC1(CCN(CC(C)C)c2ccc(C#N)cc2)CCC1 1653664685 MXBGTHBWVOAXNB-UHFFFAOYSA-N 286.419 3.980 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1659392574 CPIPPGSSAWMRDB-DGXTUMSLSA-N 282.387 3.803 30 20 CHED CCC1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCCCC1 1584703276 ONOWJVDPCAABGT-UONOGXRCSA-N 263.381 3.972 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 1585134700 JQTIRPUUJTUUEM-IVMMDQJWSA-N 284.403 3.811 30 20 CHED N#CCC[C@H](NCc1cc2cnccc2o1)c1ccccc1 1661985829 GMYYTCBBWBLWBR-KRWDZBQOSA-N 291.354 3.962 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1595653440 UTPCINQXCVHPJR-GXSJLCMTSA-N 292.329 3.847 30 20 CHED CC(C)(C#N)CCCCn1ccc2sccc2c1=O 232528879 QXGQXWUTPGHCJM-UHFFFAOYSA-N 274.389 3.783 30 20 CHED C=CCC[C@H](NCc1csc(Cl)c1Cl)C(=O)O 1776167771 IJWQHZQPINAHEE-QMMMGPOBSA-N 294.203 3.564 30 20 CHED CCCC(=NNc1ccccc1C(=O)O)c1cc(C)ccn1 1776030951 FNIOUAYQZMYCRI-UHFFFAOYSA-N 297.358 3.705 30 20 CHED CSc1cccc(C=NNc2ccccc2C(=O)O)c1 1776031563 MXEBPJRPVXJRID-UHFFFAOYSA-N 286.356 3.553 30 20 CHED O=C(O)c1cc(C=NNc2cccc(Cl)c2)cs1 1776032644 GKFVNRMRNDISKQ-UHFFFAOYSA-N 280.736 3.546 30 20 CHED C=CC[C@H](CNc1ccc(C(=O)O)cn1)c1ccccc1 1776152008 ZBVICNCYWSVTBH-CQSZACIVSA-N 282.343 3.552 30 20 CHED C=CCC[C@@H](CC(C)C)C(=O)Nc1ccccc1C(=O)O 1776165918 HMGFXMXLXKASCZ-ZDUSSCGKSA-N 289.375 3.952 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1 5576882 FMQZMNLXCPDUQX-UHFFFAOYSA-N 291.228 3.796 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 160641298 VAUJMASMFMVLML-ZWKOTPCHSA-N 278.355 3.890 30 20 CHED COc1cccc(/C=N\[C@@H](C)C2CCCCC2)c1O 166179991 LRQFKKAGKBWPAL-UEMWTREESA-N 261.365 3.789 30 20 CHED CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H](C)C(C)C 155521264 CZEFCQSNCLNLSA-NSHDSACASA-N 278.783 3.718 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)c1ccc(C(C)C)cc1 155650117 DJEPEYKEYWYQCF-AWEZNQCLSA-N 275.392 3.754 30 20 CHED C=C(C)CNC(=O)N(C)Cc1c(CC)oc2ccccc12 156298491 HZUMUXIGWBUKBP-UHFFFAOYSA-N 286.375 3.713 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1S[C@H](C)CC#N 157371982 ZGIJAHFIGVTLLT-GFCCVEGCSA-N 289.404 3.778 30 20 CHED C#Cc1ccc(CNc2ccc3ncsc3c2)cc1 809633535 GCICBHQDSHXFHH-UHFFFAOYSA-N 264.353 3.890 30 20 CHED C[C@]1(C#N)CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 845514894 JFGWVVWVBHDVFW-CYBMUJFWSA-N 297.717 3.517 30 20 CHED C=CC[C@H]1CCCN(Cc2csc(Cl)n2)C1 852410670 PBNSPCXDJTWOAU-JTQLQIEISA-N 256.802 3.585 30 20 CHED N#Cc1cccc(CNC(=O)CC2CCCCCC2)c1 135800112 ZLFMRJARSJIVSO-UHFFFAOYSA-N 270.376 3.535 30 20 CHED C[C@@H](Nc1ccc(Cl)cn1)c1ccc(C#N)cc1 37749729 NJZGZLICLUVLGY-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CC[C@H](C)[C@H](C(=O)N[C@H](CC)CC#N)c1ccccc1 249745684 NAYUFWOUPHQLGV-IMJJTQAJSA-N 272.392 3.625 30 20 CHED Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 37214610 CNDTZLQZBCMGFF-CQSZACIVSA-N 250.345 3.718 30 20 CHED Cc1ccc(C)c(CNc2cccc(OCC#N)c2)c1 48443037 DRWBRGKKIIIGQC-UHFFFAOYSA-N 266.344 3.818 30 20 CHED N#Cc1ccc(F)c(CNC2(C(F)F)CCCCC2)c1 510093673 JSUYDKMSNIHBBB-UHFFFAOYSA-N 282.309 3.755 30 20 CHED C=CCCCCCCNC[C@@H](O)c1cccc(F)c1 311647668 SSROEMNRBUVAQY-MRXNPFEDSA-N 265.372 3.585 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc2cscc2s1 528325417 GGHKBFJBQUVYAQ-UHFFFAOYSA-N 278.402 3.727 30 20 CHED N#Cc1ccccc1NC(=O)Cc1cccc(Cl)c1F 336346356 MZGCCPKBSQGETD-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C=C(CNCC1(OC)CCCCC1)c1ccccc1 480340954 IJWPIMBYVDBCIC-UHFFFAOYSA-N 259.393 3.639 30 20 CHED CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cccc(C#N)c1 106406999 QOKVCGIPXMAJRM-NSHDSACASA-N 298.308 3.607 30 20 CHED N#Cc1csc(CNC2(c3cccc(F)c3)CC2)c1 177704812 ZGEFWRWXMHDTEQ-UHFFFAOYSA-N 272.348 3.538 30 20 CHED CCCC[C@H](CC)C(=O)N1CCc2cc(C#N)ccc21 416019956 NUJQQFWWNWRNTK-AWEZNQCLSA-N 270.376 3.664 30 20 CHED C=CC[C@H](C)NC(=O)N(Cc1ccccc1)CC1CCC1 116971031 HHLYNYSLXOHSKZ-HNNXBMFYSA-N 286.419 3.963 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(Cl)ccc2OC)c1 103033747 ZNGJUDCDKKPINP-UHFFFAOYSA-N 299.757 3.607 30 20 CHED CCN(C(=O)[C@H](C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 178418146 QQVFETBVMFXYPF-OLZOCXBDSA-N 270.376 3.514 30 20 CHED Cc1ccc(CN(CCOc2ccc(C#N)cc2)C2CC2)o1 51966964 UZHQCHISZZWHQO-UHFFFAOYSA-N 296.370 3.503 30 20 CHED C=CCCC(=O)Oc1cccc(-c2nc(C)cs2)c1 103008649 KXCHEUHXPJTPQU-UHFFFAOYSA-N 273.357 3.990 30 20 CHED COc1ccc(CN[C@H]2CCCc3ccccc32)cc1C#N 172688328 LOWIRBNELXLPRR-SFHVURJKSA-N 292.382 3.734 30 20 CHED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(C)s1 116802359 TXPDATIUCMHBRH-BMIGLBTASA-N 276.405 3.567 30 20 CHED C=C(Br)COc1c(Cl)cccc1[N+](=O)[O-] 130767031 QXYQSOYITBPMRH-UHFFFAOYSA-N 292.516 3.536 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 111726487 QEHDMUWUCPOFFZ-UHFFFAOYSA-N 282.746 3.909 30 20 CHED CO[C@@]1(C)C[C@H](Nc2ccc3cc(C#N)ccc3n2)C1(C)C 301957568 APUUPEAOYWUJNA-YJBOKZPZSA-N 295.386 3.722 30 20 CHED C[C@H](Cc1nc2ccccc2s1)Nc1ccc(C#N)cn1 301078927 HOXSEXOWZLZXSW-LLVKDONJSA-N 294.383 3.606 30 20 CHED CC[C@H](C)CN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 111722768 ZXMIEOHOXGYWEF-ZDUSSCGKSA-N 287.407 3.998 30 20 CHED C#CCCCN[C@@H](C)c1sc(C(C)C)nc1C 178054369 WXTWOPMZSGLMAT-NSHDSACASA-N 250.411 3.639 30 20 CHED N#Cc1cccc(C#N)c1NCc1ccc(F)c(Cl)c1 302870600 BNGAJWOJPRSHIW-UHFFFAOYSA-N 285.709 3.835 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68768381 NTLNDSLTEOVRCU-AXFHLTTASA-N 297.185 3.515 30 20 CHED C=C[C@H](C(=O)Nc1c(C)noc1C1CC1)c1ccccc1 1347136601 HRAOCHFJPDDGMH-AWEZNQCLSA-N 282.343 3.769 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)Cc1ccccc1OC 112569265 OIADSRSXMKCDBI-UHFFFAOYSA-N 289.419 3.689 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 176104943 RBKMWZRKULKSPI-LBPRGKRZSA-N 291.395 3.651 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCCCCC#N 170886652 FOPONQQJZAJTTF-LBPRGKRZSA-N 293.798 3.736 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3oc(CC)nc3c2)CC1 118045857 KGOSDZOOOOCWQU-UHFFFAOYSA-N 299.374 3.820 30 20 CHED C=CC1CCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 175220606 FORVMUKRRGVGGD-GFCCVEGCSA-N 262.397 3.931 30 20 CHED C[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)[C@H]1C 302276991 IZFKRIRZBLZYKD-UWVGGRQHSA-N 268.282 3.812 30 20 CHED CC(C)=CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 66397726 RUACBZBPMKNREN-HNNXBMFYSA-N 270.376 3.631 30 20 CHED C[C@@H]1CC(NC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1 352561554 XWCLRANEDIOFCZ-RYUDHWBXSA-N 271.364 3.504 30 20 CHED Cc1cc(C(=O)OCC2(C#N)CCCCC2)cc(Cl)n1 126315146 YCYZBSGMIAKLJI-UHFFFAOYSA-N 292.766 3.674 30 20 CHED C=C(C)[C@@H](Nc1ncc(C)cn1)c1ccc(F)c(F)c1 302447072 SISQUKCVDXHAOO-CQSZACIVSA-N 275.302 3.793 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCCOC(C)C 181622257 BIIJWNJQNIYUHF-UHFFFAOYSA-N 292.375 3.534 30 20 CHED Cc1ncsc1CN(C)[C@H](C)c1cccc(C#N)c1 187675353 VPRMTAROGCKYHE-GFCCVEGCSA-N 271.389 3.516 30 20 CHED C[C@H](CNc1snc(Cl)c1C#N)Oc1ccccc1 72945994 KPLRJNKVLOFPNW-SECBINFHSA-N 293.779 3.548 30 20 CHED CC(C)[C@H](C(=O)[C@H](C#N)c1ccccn1)c1ccccc1 76825484 SIDVRHYKYYWRQS-WBVHZDCISA-N 278.355 3.698 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 410990309 SRHRPLHUGBPGFT-ZJUUUORDSA-N 276.405 3.900 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(Cl)cc1 73623902 GSCNKYBLOBOZIH-LBPRGKRZSA-N 280.799 3.565 30 20 CHED CC1(C)C[C@H](Nc2cccc(OCCCC#N)c2)CCO1 70358014 ZTJKHOUMLPWXLI-OAHLLOKOSA-N 288.391 3.739 30 20 CHED COc1cccc(/C=C2\Oc3ccc(Cl)cc3C2=O)c1 39842276 NTKUXYRUPCFAGP-NVNXTCNLSA-N 286.714 3.965 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc(OC)c(Cl)c1 410135067 LQWZDIGNJGKWBL-CYBMUJFWSA-N 295.810 3.752 30 20 CHED C=CCc1cc(CN[C@H]2CCC(C)(C)C2)cc(OC)c1O 507717073 IXTWBJXSJNKALI-HNNXBMFYSA-N 289.419 3.798 30 20 CHED C[C@@H](CCC#N)N1CCC(CCN2CCCC[C@H]2C)CC1 411350614 SGQUCFVWBHJBBS-SJORKVTESA-N 291.483 3.655 30 20 CHED C=C(C)[C@H](NC(=O)NCC(C)C)c1ccc(F)c(F)c1 186956332 NYAAOJUCGGNEGT-AWEZNQCLSA-N 282.334 3.537 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1scc(C(C)(C)C)c1C#N 410919839 ANHVCDIEVNOVOH-VHSXEESVSA-N 276.405 3.902 30 20 CHED Cc1ccc(-c2csc3ncnc(OCCC#N)c23)cc1 121624689 ZDLGWWKFFWQQPZ-UHFFFAOYSA-N 295.367 3.959 30 20 CHED C=CCOc1ccc(O[C@H](C)c2nc(C(C)C)no2)cc1 72921363 UNNCMNOVYRGFTP-GFCCVEGCSA-N 288.347 3.898 30 20 CHED CCC(CC)[C@@H]1C[C@H](NCc2cccc(C#N)c2)CCO1 180373519 PKUJROKFTJOFBF-MSOLQXFVSA-N 286.419 3.632 30 20 CHED C=CCCC(=O)N[C@H](CC)CSc1ccccc1 123196726 FEOFHQHCDFOFHB-CYBMUJFWSA-N 263.406 3.640 30 20 CHED C#Cc1cccc(N(C(=O)c2ccc(Cl)nc2)C(C)C)c1 77293879 RPKAVKMXJVLFRC-UHFFFAOYSA-N 298.773 3.772 30 20 CHED O=C1/C(=C/c2cccc3nccn23)Cc2cc(Cl)ccc21 180314809 NVYYAMVBHFGENR-ZRDIBKRKSA-N 294.741 3.810 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Sc1ccc(C)cc1 410119931 FMCDDWQSOVUYPK-KBPBESRZSA-N 277.433 3.947 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(CCSC)cc1 181687409 GNBWSBJUDQUWIN-UHFFFAOYSA-N 278.421 3.632 30 20 CHED CC[C@@H](CN(CC)C(=O)c1c[nH]c(C#N)c1)c1ccccc1 185144534 JLGPXWZDQWENAY-AWEZNQCLSA-N 295.386 3.542 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](CC)c1ccn(C)n1 414302063 MLRTXSQSGCIRHA-IAGOWNOFSA-N 283.419 3.648 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 410134454 IJPIFVLQMPDSRT-CMPLNLGQSA-N 299.773 3.717 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N(CC#N)C1CCCC1 180943380 NTCXQMKBGSZYBZ-INIZCTEOSA-N 298.430 3.940 30 20 CHED C=C(C)CCN[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 509607860 ZBTLDPAOQTXKBT-GFCCVEGCSA-N 289.354 3.801 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1ccc(CC#N)cc1 78248262 BMZCTJUURBDJSU-UHFFFAOYSA-N 293.370 3.725 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@@H](Oc2ccccc2)C1 416269692 GEKXXMXSEKHQLX-MRXNPFEDSA-N 287.403 3.659 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@@H](C)c1n[nH]c(C)n1 411135978 NWSOXHYNEJZRJS-VIFPVBQESA-N 296.827 3.577 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCc1ccc(OCC#N)cc1)C2 315465179 OFTYYISIBKOLSY-WDYCEAGBSA-N 298.430 3.893 30 20 CHED CCOC(=O)C[C@@H](C)SCCC1(C#N)CCCCC1 412991517 ILWBBBAKLJIEKG-CYBMUJFWSA-N 283.437 3.925 30 20 CHED CCCCCCCCN1CCC(n2ccnc2)CC1 158081136 GFQKRRJHDZNPJZ-UHFFFAOYSA-N 263.429 3.881 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1CC[C@@H](C)C1 182038374 AAVGFHAXNHTTBO-HZSPNIEDSA-N 286.375 3.742 30 20 CHED C=CCCCCNC(=O)c1cnc2c(F)ccc(F)c2c1 500762683 HMUAOLMJKUDZOW-UHFFFAOYSA-N 290.313 3.599 30 20 CHED C=CCc1ccccc1OC(=O)c1cccc(C#N)c1 48526989 NQEGFMPTFHVUIH-UHFFFAOYSA-N 263.296 3.506 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CC)CSc1ccccc1 507484594 QOSIXSQDNCFOPP-KBPBESRZSA-N 292.448 3.821 30 20 CHED Cc1c(C/N=C(/O)C[C@H]2CCOC2)oc2ccccc12 329846194 OUSBMKVGHWGXJZ-GFCCVEGCSA-N 273.332 3.624 30 20 CHED C=CCC(C)(C)C(=O)N(C)CC1(c2ccccc2)CC1 504129988 JADGAFZSOKPGSV-UHFFFAOYSA-N 271.404 3.779 30 20 CHED C=CCC1(c2nc(COc3ccccc3F)no2)CCC1 191344616 DYBZYLVXGHVSCX-UHFFFAOYSA-N 288.322 3.786 30 20 CHED CCOc1c(Cl)cccc1CNCC1(C#N)CCC1 418140780 KEOPUWNFKLOTOZ-UHFFFAOYSA-N 278.783 3.522 30 20 CHED N#Cc1ccc(COc2ccc([C@H]3CCOC3)cc2)c(F)c1 190305782 HRDCBNQUBCFIAY-HNNXBMFYSA-N 297.329 3.780 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2cnco2)cc1 190753529 HTGZRVDJMKZHSG-INIZCTEOSA-N 270.332 3.882 30 20 CHED C=CCC[C@@H](NCCO[C@@H]1CCCCO1)c1ccccc1 193090354 MCYRUJMIONBXPG-QZTJIDSGSA-N 289.419 3.827 30 20 CHED C[C@@H](SCCc1ccccn1)c1cccc(C#N)c1 190875472 UUMAXVLOWXIAAG-CYBMUJFWSA-N 268.385 3.990 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnc([C@@H](C)CC)nc1 424806715 DFRGLIMOEWZARL-NSHDSACASA-N 261.369 3.531 30 20 CHED Cc1nn(-c2ccccc2)cc1Nc1cccc(F)c1C#N 511884988 APUOHOFBARZCBC-UHFFFAOYSA-N 292.317 3.935 30 20 CHED C=C(C)CNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 425507719 HTPVZXRWJNBVME-HNNXBMFYSA-N 272.392 3.745 30 20 CHED C[C@@H](Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC[C@H](C#N)C1 424318710 DIHUFIHEMSCFSW-CORIIIEPSA-N 296.336 3.918 30 20 CHED C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)c2ccccc21 192503244 QLCSLRSJJGKYND-CYBMUJFWSA-N 276.339 3.517 30 20 CHED C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)CCS1 192177931 YDNRVOKUGJFNJY-CQSZACIVSA-N 288.460 3.815 30 20 CHED C=C(C)CSc1nnc(C)n1-c1ccccc1C 43462241 UYRZQJMZTJEKNT-UHFFFAOYSA-N 259.378 3.552 30 20 CHED C=CCNc1cccc(NC(=O)c2ccccc2)c1C 89104203 WVNXEXAATGXGSA-UHFFFAOYSA-N 266.344 3.845 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C1 424106085 LHJRQZOZCKLFOB-DTWKUNHWSA-N 298.173 3.807 30 20 CHED Cc1cccc(CCN2CCC(CCC#N)CC2)c1 514728509 QMCIDSQHMUKTSM-UHFFFAOYSA-N 256.393 3.553 30 20 CHED N#Cc1ccc(NC(=O)c2ccccc2F)c(Cl)c1 225783896 LOXACFHYFVKCPE-UHFFFAOYSA-N 274.682 3.603 30 20 CHED COc1ccc2nc(NCC(C)(C)CCC#N)c(C)nc2c1 338725422 KPXZFSYRSFWYDQ-UHFFFAOYSA-N 298.390 3.689 30 20 CHED N#CCCC1CCN(CC2CCC(F)(F)CC2)CC1 519774525 YDDPKNTYMGDSHK-UHFFFAOYSA-N 270.367 3.828 30 20 CHED C=CCCCCCN1CCC(OC[C@@H]2CCCCO2)CC1 193373683 RCQJWWQYKIQZTL-SFHVURJKSA-N 295.467 3.783 30 20 CHED Cc1csc(NC(=O)[C@@H](C)c2ccccc2F)c1C#N 335135195 DMGPOOLEHAXULD-JTQLQIEISA-N 288.347 3.810 30 20 CHED CCc1nnc(C)cc1/C(O)=N/C(C)(C)CC(C)(C)C 330821079 OZUCTZNJTDAHHG-UHFFFAOYSA-N 277.412 3.867 30 20 CHED OC(=Nc1nc2cccnc2[nH]1)[C@@H]1C[C@H]1C1CCCCC1 330294493 FGPOLDACWZBXTJ-NWDGAFQWSA-N 284.363 3.762 30 20 CHED C=CCc1cc(CN2CCCC[C@H]2C=C)cc(OC)c1O 426561411 VULMTHVTQSZHKI-MRXNPFEDSA-N 287.403 3.670 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(F)c(C#N)c1 339876494 FSYGQWQNDGJXOS-UHFFFAOYSA-N 297.333 3.777 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC1CC(F)(F)C1 425108142 KFQWOALBQQVVCJ-LLVKDONJSA-N 292.329 3.513 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@]1(C#N)CCc2ccccc2C1 193358722 HOZMEQRZBAIDTJ-DNVCBOLYSA-N 298.430 3.770 30 20 CHED C=CC[C@H](C)NC(=O)c1nc(-c2ccccc2)cs1 338199363 WUCWDHFAUDYTRL-NSHDSACASA-N 272.373 3.505 30 20 CHED C=CCCCCCN(C)Cc1ccc(C(=O)O)cc1 234285530 DIPCYZKOGPQUJP-UHFFFAOYSA-N 261.365 3.563 30 20 CHED Cc1cc(C)c(/C(O)=N/CCc2nc(C)oc2C)c(C)c1 330622952 DGXVTCKKBWYHIJ-UHFFFAOYSA-N 286.375 3.764 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2ccccc2Cl)s1 140495853 YAURNYBMNNUPAN-WAYWQWQTSA-N 292.743 3.996 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H]1C 335584598 ZZOLTGPNYBUGGN-WDEREUQCSA-N 291.782 3.668 30 20 CHED Cc1ccc2c(CCNCc3ccc(C#N)cc3)c[nH]c2c1 237884756 KGYVKNDOGGXQTR-UHFFFAOYSA-N 289.382 3.680 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1C[C@H](C)CC(C)(C)C1 514679780 QHTACDAORIXSOJ-CYBMUJFWSA-N 288.439 3.604 30 20 CHED N#Cc1ccnc(Sc2cccc(F)c2)c1Cl 236233920 GDHGESJTRINGOA-UHFFFAOYSA-N 264.712 3.897 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CC(C)(C)c2ccccc21 331705522 CJNFUGZJAMXCSG-MRXNPFEDSA-N 294.354 3.612 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)CCc1ccccc1 424530552 UGLQVFFASONKBS-AWEZNQCLSA-N 259.393 3.726 30 20 CHED C[C@]1(CNc2ccc(C#N)c(Cl)c2)C[C@H]2CC[C@H]1O2 425284355 QKYXDOGRCATTBS-BPLDGKMQSA-N 276.767 3.581 30 20 CHED C[C@@H](NCc1nc2ccccc2o1)c1ccc(C#N)cc1 338349649 PCVHNMIWPIWPAX-GFCCVEGCSA-N 277.327 3.550 30 20 CHED N#Cc1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)cc1 230996425 SQMIRRDRKYRSPY-UHFFFAOYSA-N 283.237 3.553 30 20 CHED C[C@H](CSCCOc1cccc(C#N)c1)C(F)(F)F 439027726 OOYKRRHHDREPEA-SNVBAGLBSA-N 289.322 3.869 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2cccc(C#N)c2F)C1 335959101 FLMUNCZNZZIRCN-SUMWQHHRSA-N 295.361 3.675 30 20 CHED Cc1ncsc1CCNc1ccc(C#N)cc1Cl 235806627 LVKLOVKNTXQTMN-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)C1C[C@H]2CCC[C@H](C1)C2 435606736 JVAJFDCHQWKJKY-IRXDYDNUSA-N 296.414 3.733 30 20 CHED CCc1ccc([C@H](C)C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 434031086 LIBHCCHAVPGWPO-WMLDXEAASA-N 298.430 3.893 30 20 CHED C=C(C)COCCN[C@H]1CC[C@@](C)(c2ccccc2)C1 438201693 QTRUXUWFCSIFIM-ZWKOTPCHSA-N 273.420 3.679 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H]2C2CCC2)c1C#N 343435666 KJPWMAFRCDUSOF-CQSZACIVSA-N 275.783 3.684 30 20 CHED Clc1cccc(C#CCN2CCC3(CCC3)C2)c1 438534153 JSQYDYWUUIGOPW-UHFFFAOYSA-N 259.780 3.568 30 20 CHED C=CC[C@H]1N(C(=O)c2occc2C)CCCC1(C)C 347492391 VEAMVLQNHOCOIY-CYBMUJFWSA-N 261.365 3.795 30 20 CHED C[C@H]1c2ccccc2CN1c1c(C#N)cccc1C#N 436347428 SIDMWWPMFUHXAQ-LBPRGKRZSA-N 259.312 3.511 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 437703413 PKNXFODCIDAXFV-GIPNMCIBSA-N 296.773 3.599 30 20 CHED CCCN(CC1(C#N)CC1)[C@H]1C[C@@H](OCC)C12CCCC2 343321975 PGTJSFCTYMTVRZ-JKSUJKDBSA-N 290.451 3.740 30 20 CHED C=CCN(CC[C@@H]1CCCO1)Cc1ccc(Cl)s1 345780598 IHLJMYKIXUVMMW-LBPRGKRZSA-N 285.840 3.959 30 20 CHED C/C=C\c1ccc(Oc2ccc(C#N)cn2)c(OC)c1 349326331 VLNOFRQQWAZHOM-ARJAWSKDSA-N 266.300 3.787 30 20 CHED Cc1nsc(N2CCc3c(Cl)cccc3C2)c1C#N 340022926 LLKDKBSIJLAIAP-UHFFFAOYSA-N 289.791 3.539 30 20 CHED C=Cc1ccc(CCN[C@@H](C)CC2(C#N)CCOCC2)cc1 602673699 BKUZISWCZXOOSE-INIZCTEOSA-N 298.430 3.561 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(CC#N)cc2)C1 347173322 SLQJREODBICTRY-DNVCBOLYSA-N 291.398 3.731 30 20 CHED C=CCC(C)(C)CNC(=O)N1Cc2ccccc2C[C@@H]1C 432571597 GQAKDOSXAFJGIL-AWEZNQCLSA-N 286.419 3.745 30 20 CHED Cc1cc(C)c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)s1 601189832 MOIIXXIPNMNMKF-MEBBXXQBSA-N 276.405 3.567 30 20 CHED CC1(C)CCCN(C(=O)c2ccc3c(c2)CCCC3)[C@H]1C#N 434027348 XZIVUSKCSRZZLH-KRWDZBQOSA-N 296.414 3.720 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 435802932 ZKJYEMKZQSXQHM-RHSMWYFYSA-N 299.418 3.697 30 20 CHED Cc1c(C#N)cccc1NCc1cnc(C(C)(C)C)nc1 342799722 MNHMWLSSDWZFAM-UHFFFAOYSA-N 280.375 3.566 30 20 CHED COC(=O)c1csc([C@@H](C)NCC(C)(C)CCC#N)c1 348213399 JNSYXZVIEQBBSM-LLVKDONJSA-N 294.420 3.515 30 20 CHED C=CCCC1(C(=O)Nc2cccc3cc[nH]c23)CC1 527259360 JEWHXOSENIXYAL-UHFFFAOYSA-N 254.333 3.853 30 20 CHED CCN(Cc1cccc(F)c1)c1ncc(C#N)cc1Cl 344909911 UYLIXIIDBYQMSV-UHFFFAOYSA-N 289.741 3.772 30 20 CHED Cc1ccc([C@H](C)CNCCc2ccc(C#N)cc2)cc1 600178290 NWFYDBBKGVZXQQ-MRXNPFEDSA-N 278.399 3.803 30 20 CHED Cc1nc(C(C)(C)NC[C@@H](C)CCC#N)sc1C 602546296 JFLRPBRYIKFMMH-JTQLQIEISA-N 265.426 3.525 30 20 CHED C=C(CC)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 539104032 KOPJQYLOIDWYAW-IAGOWNOFSA-N 254.377 3.724 30 20 CHED C[C@@H](Cc1cccc(F)c1)N(C)C[C@H](C)CCC#N 602687534 MUYMVWSGKKDURJ-KGLIPLIRSA-N 262.372 3.628 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2cncc(F)c2)c1 255900209 XHGJAZJWNUBFSK-SREVYHEPSA-N 285.318 3.906 30 20 CHED CCO[C@H]1C[C@@H](N(C)CCCCC(C)(C)C#N)C1(C)C 444641107 OSQKGILGSAYAET-CABCVRRESA-N 280.456 3.842 30 20 CHED C[C@@H](CCC#N)CN(C)[C@H]1CCCN(c2ccccc2)C1 602475325 SVAPXTVROJUDMI-WMZOPIPTSA-N 285.435 3.527 30 20 CHED C[C@@H](CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccco1 529509317 YAEKMWUZORSUGL-KBPBESRZSA-N 296.370 3.864 30 20 CHED N#CCC1(CN2CCC(=Cc3ccccc3F)CC2)CC1 602788311 NOZIFWTUJVJYGW-UHFFFAOYSA-N 284.378 3.999 30 20 CHED C=CCCCOc1cccc(C(=O)NCc2ccccc2)c1 607148597 JURWPJKBAYLVHA-UHFFFAOYSA-N 295.382 3.962 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2cnc[nH]2)cc1 527485914 WYTIXBCGYITYCU-MRXNPFEDSA-N 269.348 3.618 30 20 CHED Cc1ncsc1/C=C1/CSc2ccc(F)cc2C1=O 255543113 CGZHUWJLFARLDB-WTKPLQERSA-N 291.372 3.963 30 20 CHED CCC[C@H](NC(=O)CC#N)c1ccc(Cl)c(Cl)c1 355960155 TXFTWPDBYHGCLB-LBPRGKRZSA-N 285.174 3.864 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1ccc(F)cc1Cl 602609329 CFEJKGOIDZPYAA-ZWNOBZJWSA-N 268.763 3.692 30 20 CHED CC(C)Sc1ccc(CN(CC#N)C2CC2)cc1 358072769 ZJDHGDXPVZFMGQ-UHFFFAOYSA-N 260.406 3.675 30 20 CHED Cc1cccc(N(C)CCOc2cccc(C#N)c2)c1C 603935516 ARUVPMIYGHTMPA-UHFFFAOYSA-N 280.371 3.690 30 20 CHED Cc1cc(C)c(NC(=O)N(C)C[C@H](C)C#N)c(Cl)c1 609147454 KFCBPZXMDZESKP-SNVBAGLBSA-N 279.771 3.580 30 20 CHED N#Cc1ccc(CNC[C@H]2CSc3ccccc32)s1 449365076 OTSXXEPTKINESP-NSHDSACASA-N 286.425 3.599 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(NC2CCCC2)c1 449847924 CNRIKRUONXTTKI-YVEFUNNKSA-N 283.375 3.529 30 20 CHED N#Cc1ccc(NC[C@H]2CCCO[C@H]2c2ccccc2)cn1 267438077 YFCNZHOXZNNBJO-QAPCUYQASA-N 293.370 3.533 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C 539844988 KNVLBDAPMMBHDI-DOMZBBRYSA-N 295.810 3.824 30 20 CHED C=CC[C@H]1N(C(=O)NCCC(F)(F)F)CCCC1(C)C 445108876 LCHCTWLWRHVPOW-LLVKDONJSA-N 292.345 3.715 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1cccc(C#N)c1 532069836 GPDPLKRNHVVJIS-SJORKVTESA-N 284.403 3.528 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1Cl 538268385 HARJEMCDYFDNSI-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CC[C@H]1N(Cc2cnc(N(C)C)s2)CCCC1(C)C 446834426 WZFXPCAVSLVPIO-CQSZACIVSA-N 293.480 3.776 30 20 CHED C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(C#N)cc1 532090291 WXAWDNPCFRAGRH-LBPRGKRZSA-N 298.336 3.956 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OC(C)C)nc2)CC1 354784257 KSLLMVGCESTDTA-UHFFFAOYSA-N 274.364 3.554 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)CCCC1 619111468 YYGSTYHHJVKYDX-HZPDHXFCSA-N 293.451 3.833 30 20 CHED C=CCC1(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CCCC1 449592789 ZAAVYDGTNDVTKX-CVEARBPZSA-N 292.467 3.502 30 20 CHED C=CCC[C@@H](CC)Nc1cccc(N2CCC2=O)c1 448279781 BEDUCUDHXGZTEF-CYBMUJFWSA-N 258.365 3.580 30 20 CHED CCc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 269594722 FQVNSZOSGOQPML-UHFFFAOYSA-N 276.383 3.900 30 20 CHED CC1(C)C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CCO1 613427753 NOAWUWYRMOKVPE-ZDUSSCGKSA-N 287.407 3.620 30 20 CHED C=CCCCCCN(C)Cc1ccc2nc[nH]c2c1 536668805 QBCRCFWFWRGLFF-UHFFFAOYSA-N 257.381 3.741 30 20 CHED CC(C)CN(C(=O)c1cc(C#N)cs1)c1ccccc1 267650191 UFMQFTVSFQUKRY-UHFFFAOYSA-N 284.384 3.923 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(F)cc1F 618740948 AIGGEJURBOFHCS-QGZVFWFLSA-N 284.309 3.614 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc3cnccc23)C1 617782790 MNUIMVTVDNEFNS-CQSZACIVSA-N 280.371 3.663 30 20 CHED C=CCN1CC[C@H](Nc2ccccc2-c2ccccc2)C1=O 539710217 JPJLBSJWKHFNCW-SFHVURJKSA-N 292.382 3.552 30 20 CHED C[C@@H](C(=O)NCc1ccc(C#N)cc1)c1cccc(Cl)c1 610222897 QGTSPMHVHLUVPZ-GFCCVEGCSA-N 298.773 3.632 30 20 CHED CC(C)(C)CCNC(=O)C[C@H](CC#N)c1ccccc1 354376704 DBLZLGOOARXYSF-HNNXBMFYSA-N 272.392 3.626 30 20 CHED COc1ccccc1[C@H]1CCN(CCCC(C)(C)C#N)C1 266964068 YRUCSPGXOSZIGG-HNNXBMFYSA-N 286.419 3.814 30 20 CHED Cc1ccc(CN(CC(C)C)c2ccc(C#N)cc2)nc1 610968414 OELBFUGBUMKLLX-UHFFFAOYSA-N 279.387 3.924 30 20 CHED CC(C)(C)C1=CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 533886949 XUWJDFJBYAMBEU-UHFFFAOYSA-N 285.347 3.649 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc3ccncc23)C1 618574044 MNSWWIRVRHKIGC-JSGCOSHPSA-N 251.333 3.729 30 20 CHED C=CCC[C@H](NCC1(COC)CCCC1)C1CC1 453395160 XGDNTCDHDGKEEJ-HNNXBMFYSA-N 251.414 3.528 30 20 CHED C=C(CC)CN[C@@H](Cc1ccncc1)c1ccc(OC)cc1 453351214 IDFBSHOZULAPTR-IBGZPJMESA-N 296.414 3.930 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cc2ccccc2o1 537505129 FOUJKBOHVNWRTB-ZDUSSCGKSA-N 272.348 3.587 30 20 CHED CCCN(CCCSCC#N)Cc1ccc(F)cc1 266786307 YTNOLQBFHAEECF-UHFFFAOYSA-N 280.412 3.685 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(-c3nccs3)c2)C1 532065627 KMLRDHXEMGCPLJ-UHFFFAOYSA-N 297.383 3.688 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(C#N)cc1C 614406889 FBOWNBGQOZJWBU-UHFFFAOYSA-N 280.371 3.690 30 20 CHED C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@](C)(C#N)C1 615837631 PHDVFMAMKYJLMR-DZXKJOIRSA-N 299.374 3.624 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@H](OC)c1ccc(OC)cc1 542705943 LUBTXOWYAFEYOG-VBQJREDUSA-N 277.408 3.716 30 20 CHED CCCCCCCCC(=O)N1CC[C@@](CO)(CCC)C1 365616711 LOXZMVLITBTAFI-KRWDZBQOSA-N 283.456 3.748 30 20 CHED COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(C#N)cc1F 363559886 SUOHHEVREGHDAV-HNNXBMFYSA-N 298.317 3.642 30 20 CHED C=C(Cl)CNC(=O)C1(Cc2ccccc2Cl)CC1 275891125 QIAIKJUEJVNHRS-UHFFFAOYSA-N 284.186 3.531 30 20 CHED C=CCC1(C(=O)N2CCc3cc(C)ccc3C2)CCC1 360226760 DNCHYAXLUODMMC-UHFFFAOYSA-N 269.388 3.626 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1CSC 455129745 BRWHVZXMEQRJJS-UHFFFAOYSA-N 264.394 3.637 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)N(C)CC(C)(C)C#N 458387202 DUYLYNYCEMQECS-AWEZNQCLSA-N 293.455 3.927 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@H](C)c1c[nH]c2ccccc12 279126593 XQUPBFZSBNXNSL-QWHCGFSZSA-N 270.376 3.742 30 20 CHED N#C[C@@H]1CC[C@H](Sc2ccc(Br)cn2)C1 278526385 HNRNRYQNSPGTGF-SCZZXKLOSA-N 283.194 3.628 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 454214632 RMEYEGMQVAMKHE-RHSMWYFYSA-N 298.430 3.822 30 20 CHED Cc1cc(N[C@@H](C)c2ccc(F)c(F)c2)nn1CCC#N 271016390 LEVVZWJSSFFCFB-NSHDSACASA-N 290.317 3.557 30 20 CHED C=CCC[C@H](C)NC[C@H](OC)c1ccc(Cl)cc1 544565342 KOOAAOVWUFRNKY-WFASDCNBSA-N 267.800 3.972 30 20 CHED C=CCSc1ccccc1C(=O)NCC1CC(C)C1 622238730 AUNRLSZTOVDUMP-UHFFFAOYSA-N 275.417 3.741 30 20 CHED CCCC[C@@H](CC)C(=O)N(CCC#N)Cc1ccccn1 279527228 GVIZOCPPFSCSQZ-OAHLLOKOSA-N 287.407 3.540 30 20 CHED C=C[C@H](C)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 467356847 VCZAWUUVKZDHMG-QWRGUYRKSA-N 257.299 3.801 30 20 CHED C=C(CC)CSCC(=O)N1c2ccccc2C[C@H]1C 540193349 QKWQGBRKFQTBBA-CYBMUJFWSA-N 275.417 3.664 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1 464749296 DCZDMLPKHJRAST-MAUKXSAKSA-N 294.398 3.844 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cc(C)c(C)c(C(=O)OC)c1 464644774 AABNMNVQYRZYHJ-LBPRGKRZSA-N 289.375 3.631 30 20 CHED N#Cc1ccnc(N2CCC(c3cccc(F)c3F)CC2)c1 376476382 ZCLNWNRJVYJCCK-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C[C@H](C(=O)N1CC[C@H](C)C2(CCC2)C1)c1cccc(C#N)c1 462606243 YXZCEQXZKWYCEM-GJZGRUSLSA-N 296.414 3.700 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(OCC)c2)n1 551112120 RLPMMIBVCGJVIM-UHFFFAOYSA-N 272.348 3.989 30 20 CHED C=CCC(C)(C)C(=O)N1CCCC[C@H](SCC)C1 559755605 LGQZQMKHGVVZMS-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED C[C@H]1Oc2ccccc2[C@H]1Nc1ccc(Cl)c(C#N)n1 377175128 KSHDIJFIZRVEMQ-PSLIRLAXSA-N 285.734 3.541 30 20 CHED Cc1ccc(NCCCC2(C#N)CCOCC2)cc1 281256896 QPUGLZMNLVVSTC-UHFFFAOYSA-N 258.365 3.508 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(COCC)cc1 551624916 NVEFMRIKSCGGBQ-UHFFFAOYSA-N 261.365 3.764 30 20 CHED CCc1ccc2occ(C(=O)N[C@H](C#N)C(C)(C)C)c2c1 287592936 RRIAXNVKWDFZPX-OAHLLOKOSA-N 284.359 3.663 30 20 CHED C[C@@H](C(=O)N[C@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 462327013 VHYRNJRAIMYXNJ-CJNGLKHVSA-N 284.403 3.747 30 20 CHED C=CC[C@H](CC)N[C@@H](C)CC(=O)Nc1cccc(C)c1C 281734470 VDMIXVRCKAUILW-HOCLYGCPSA-N 288.435 3.965 30 20 CHED CCCN(C(=O)CC(C)(C)C#N)[C@@H]1CCc2ccccc2C1 469573963 DGKPKCRBRWRLSY-QGZVFWFLSA-N 298.430 3.722 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 464396221 IDTDLWWTWDWFLQ-KBVBSXBZSA-N 297.185 3.720 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C)cc1F 639405547 ZAVIVXGPQCMUCJ-QGZVFWFLSA-N 296.345 3.887 30 20 CHED C=CC[C@@H](CC)NC1CCN(c2ccccc2OC)CC1 631125543 BMWGJALXWSDJSX-OAHLLOKOSA-N 288.435 3.608 30 20 CHED C=CCN(Cc1ccccc1F)CC1CC(OCC)C1 286188103 ZSOHSXVEIFSBDH-UHFFFAOYSA-N 277.383 3.629 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(c2ccnc(C#N)c2)C1 553446882 VRJPRSGHWPRQFF-LJQANCHMSA-N 291.398 3.802 30 20 CHED C=CCC[C@H](NC[C@@H](O)C(CC)CC)c1ccco1 552246382 SDFVVYNEBBVKAB-LSDHHAIUSA-N 265.397 3.674 30 20 CHED N#Cc1sc(NC[C@H]2CCc3ccccc32)nc1Cl 804445879 SAOHUEQTTQCNDE-SNVBAGLBSA-N 289.791 3.810 30 20 CHED C=CCCCCCCNC(=O)c1cccnc1C1CC1 805219436 KLKFJPKVGSTIIQ-UHFFFAOYSA-N 272.392 3.825 30 20 CHED Cn1cnc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)c1 800793090 HFDCVBFLHIGFKU-YWEYNIOJSA-N 293.153 3.549 30 20 CHED C=CCC[C@H](O)CN[C@H]1CCCC[C@H]1C(C)(C)C 472660751 RCIJZNDCRFZSHW-ZNMIVQPWSA-N 253.430 3.508 30 20 CHED CSc1ccc(CSCCO[C@H](C)C#N)cc1 801659348 DUFPZPLTLADUFI-LLVKDONJSA-N 267.419 3.570 30 20 CHED C#CCCCC(=O)N[C@H](C)c1cccc(C2CC2)c1 295692053 ZSHKLLJSEMWQBB-CYBMUJFWSA-N 255.361 3.545 30 20 CHED CC(C)(C1=CCCCC1)c1noc(CCCC#N)n1 291096641 QLASFRCDNIRJAQ-UHFFFAOYSA-N 259.353 3.694 30 20 CHED Clc1oc2ccccc2c1C=NN[C@H]1CCSC1 808000480 NXNIDWQWGRBBQM-VIFPVBQESA-N 280.780 3.515 30 20 CHED C#C[C@H](NC(=O)N(C)Cc1ccccc1Cl)C(C)(C)C 808317495 UFYYQUUMCNCHKZ-AWEZNQCLSA-N 292.810 3.529 30 20 CHED Cc1nc(Cl)cc(NCc2ccc(C#N)c(Cl)c2)n1 800884562 UMHTXKVLKRQBCZ-UHFFFAOYSA-N 293.157 3.576 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)Cc1ccccc1Cl)C(C)(C)C 807882595 UREWBIRJDXWFDX-WFASDCNBSA-N 291.822 3.683 30 20 CHED N#C[C@@H](OC(=O)c1cc(Cl)ccc1N)C1CCCCC1 801211422 FEYNHLCNIHHEGC-CQSZACIVSA-N 292.766 3.551 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H]2CCC2(C)C)cc1 806169601 NXWSQYFFGWVNIT-CZUORRHYSA-N 257.377 3.538 30 20 CHED C=CCOCCCN1C[C@H](c2ccccc2C)C[C@@H]1C 470771781 HFUMFVDZGLRHAL-DLBZAZTESA-N 273.420 3.766 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2sccc2C)no1 568807972 WKPPZMGOUOZVFV-CQSZACIVSA-N 278.377 3.587 30 20 CHED C=CCN(C(=O)c1cnn(C(C)(C)C)c1C)c1ccccc1 298705110 CFPIUNYPJMUALS-UHFFFAOYSA-N 297.402 3.779 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)[C@@H](C)CCCC)CC1 567273097 XETORJBXHCEYQD-HOTGVXAUSA-N 266.473 3.831 30 20 CHED N#CC1(CNCCCc2c(Cl)cccc2Cl)CC1 565635112 MYIUCBOACMHMAD-UHFFFAOYSA-N 283.202 3.819 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CC(C)(C)C2CC2)cc1 560645402 PNLWSJWKCKTCGX-INIZCTEOSA-N 284.403 3.756 30 20 CHED C[C@H](C#N)N(C)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 297715305 FLWABJBRGIJMAB-SNVBAGLBSA-N 278.783 3.622 30 20 CHED C#C[C@H](NC(=O)Nc1cc(Cl)ccc1C)C(C)(C)C 808482624 UJNLBUCIKLQCRT-ZDUSSCGKSA-N 278.783 3.818 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 473580560 DNKQFZZWLBJQAL-INIZCTEOSA-N 275.348 3.735 30 20 CHED C#C[C@@H](N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1)C(C)C 809685128 ATDBGXXFYXEUDR-WMLDXEAASA-N 280.415 3.581 30 20 CHED C=CCCCCCCCCNC(=O)[C@H]1CCO[C@H](C)C1 805277844 KTVBFTBRNZCSSZ-CVEARBPZSA-N 281.440 3.834 30 20 CHED C#Cc1ccccc1CC(=O)N(Cc1cccs1)C(C)C 290616454 BTXBWUKROTZWQQ-UHFFFAOYSA-N 297.423 3.709 30 20 CHED Cc1cc2cc(Nc3snc(C)c3C#N)ccc2[nH]1 569027127 KESJXSLBIWGTSX-UHFFFAOYSA-N 268.345 3.857 30 20 CHED N#CCCCNC1(c2ccc(Cl)c(Cl)c2)CC1 299268800 ALNCGKADORUYRC-UHFFFAOYSA-N 269.175 3.876 30 20 CHED CC(C)(CC#N)CSc1ccc2c(c1)OCCCO2 568267337 DZKCRSJKMXBFBT-UHFFFAOYSA-N 277.389 3.880 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)OCCO[C@H](C)C#N 801840332 LDXLNPXCHAGNFI-ZBFHGGJFSA-N 295.423 3.701 30 20 CHED COc1ccc(C=NNc2ccccc2F)cc1C 812460201 NIYJKFQAEGLTER-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CCOC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCCC1 568656806 ORLNVFZEZOIKFK-ZDUSSCGKSA-N 290.382 3.697 30 20 CHED C=CC[C@@H](C(=O)Nc1cnc(C)s1)c1ccccc1 489751154 KWELSBVXGOKJKK-CYBMUJFWSA-N 272.373 3.750 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C)nc2C(F)F)s1 812241764 MNYOBSNBIHMRMF-PLNGDYQASA-N 282.315 3.624 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)c1ccc(F)c(C)c1 488769715 YUWDDWYVWFLYJH-ZDUSSCGKSA-N 286.350 3.613 30 20 CHED FC(F)(F)c1cscc1C=NNC1CCCC1 811641322 XPKHHNVBCICCFI-UHFFFAOYSA-N 262.300 3.633 30 20 CHED C[C@H](NN=Cc1ncc(C(C)(C)C)s1)C(C)(C)C 814938420 KSPNSQXLQMCYHV-JTQLQIEISA-N 267.442 3.799 30 20 CHED C#C[C@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 811950939 RZNLNGMHXMNHFM-HNNXBMFYSA-N 287.721 3.583 30 20 CHED CCCCC[C@@H](NC(=O)c1ccc(C#N)o1)C(C)(C)C 814114677 OTIMKGPUBBDDBJ-CQSZACIVSA-N 276.380 3.876 30 20 CHED C=CCCCCOC(=O)Cn1cc(-c2ccccc2)c(C)n1 811012764 WJXANIZMEODZOS-UHFFFAOYSA-N 298.386 3.758 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CC[C@H](CC)C1 579027767 WPAZFIIMNITSRT-AWEZNQCLSA-N 288.439 3.748 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@H](C)C[C@@H]1CC 571809497 NYNHPYRYEUNOMU-ZBFHGGJFSA-N 296.418 3.756 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2nc(C)sc2c1 488813933 IFPLPSQDCFRPBT-ZDUSSCGKSA-N 286.400 3.785 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(C)nc1C 814931634 ZLLUVPULAOOEBO-UHFFFAOYSA-N 298.346 3.751 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)Cc3nccs3)c2c1 488111962 YRYSIWWRDLKTMF-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C#CCCCCC(=O)O[C@@H]1CCOc2cccc(C)c21 814027328 FQXGKIYPGIEBFH-OAHLLOKOSA-N 272.344 3.555 30 20 CHED C=CCC(F)(F)C(=O)O[C@H]1CCOc2cccc(C)c21 816096056 QYFSJADICSNWNS-LBPRGKRZSA-N 282.286 3.573 30 20 CHED C(=NOC1CCCCC1)c1conc1Cc1ccccc1 814910621 ZLIFDOMVHQAXNQ-UHFFFAOYSA-N 284.359 3.949 30 20 CHED C#CC[C@H](NC(=O)N(CC)C(CC)CC)c1ccccc1 812181848 USYYWQYEUYRPDD-KRWDZBQOSA-N 286.419 3.971 30 20 CHED N#CCCC1CCN(c2ccc3ccc(F)cc3n2)CC1 578502112 GPJVOGKCTJWCTQ-UHFFFAOYSA-N 283.350 3.894 30 20 CHED C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc(OCC#N)cc1 818346318 RXPZFOBJDIOIJU-OWQGQXMQSA-N 284.403 3.676 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)cn1 574871906 XXQZSAMWLNFOCF-GFCCVEGCSA-N 285.778 3.800 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)OCc1ccc(Cl)cc1C#N 812634849 LYWWELASBKBFQM-QMTHXVAHSA-N 277.751 3.691 30 20 CHED CCCC(=NNc1cccc(F)c1)c1cccnc1 814815487 ZPDGRHSFPQSVLL-UHFFFAOYSA-N 257.312 3.837 30 20 CHED CC#CCCNC(=O)N[C@@H](c1ccccc1)C1CCCC1 482879681 YMQDXTDDWTYNQI-KRWDZBQOSA-N 284.403 3.631 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C)cc2C)cc1 570033185 NADCEHGDANIFOM-GOSISDBHSA-N 292.382 3.861 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 572337911 RBALKYSFCAVUOX-LBPRGKRZSA-N 288.416 3.873 30 20 CHED C=CCCCCS[C@@H]1CCCN(CC(F)(F)F)C1=O 570426648 OUVHQURRXNLURU-LLVKDONJSA-N 295.370 3.629 30 20 CHED CCc1cc(N2CCC(CC#N)CC2)c2ccccc2n1 572273133 LUSGCIATLXFEOD-UHFFFAOYSA-N 279.387 3.927 30 20 CHED CCc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 577308995 PARICQNTSVBESQ-IBGZPJMESA-N 276.383 3.898 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1coc2ccc(C(C)C)cc12 570505009 VNUOPOAZKPQUJB-KRWDZBQOSA-N 284.359 3.978 30 20 CHED CN(Cc1cccc(Cl)c1Cl)c1cccnc1C#N 572086348 DDLGLEZTDBVGJO-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1cccc(C(F)F)c1C#N 570107033 RZPUMOOHMHTZJX-GHMZBOCLSA-N 280.318 3.865 30 20 CHED Cc1cc(SCCOCC(F)(F)F)ccc1C#N 580444325 CWKUGVYMUGQVOA-UHFFFAOYSA-N 275.295 3.538 30 20 CHED C=CCCCC[C@H](C)NCc1cccc(C(=O)O)c1 666576176 YHGZTWIXRORJEK-ZDUSSCGKSA-N 261.365 3.609 30 20 CHED CC(C)(NC(=O)CCCCCC#N)c1ccc(F)c(F)c1 588939663 GUWSWKCJAZPEMC-UHFFFAOYSA-N 294.345 3.790 30 20 CHED N#CC1(CCCCn2ccnc2C(F)(F)F)CCC1 901595860 UCHKYGIMQITGKP-UHFFFAOYSA-N 271.286 3.766 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1oc(CCC)nc1C 821201592 FPUWRKXYLYUYKE-UHFFFAOYSA-N 265.353 3.581 30 20 CHED C=CCCNC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 661572137 VWKPUECJUNHKRV-UHFFFAOYSA-N 287.190 3.711 30 20 CHED CCC(CC)NN=Cc1c(C)nn(-c2ccccc2)c1C 734366093 FAGNFNZIDIXAHD-UHFFFAOYSA-N 284.407 3.601 30 20 CHED N#Cc1sccc1-c1cccc([C@@H]2CCCN2)c1 904894506 JNNYZTHIIZPVNF-AWEZNQCLSA-N 254.358 3.711 30 20 CHED Cc1cc(N2Cc3ccccc3C(C)(C)C2)cc(C#N)n1 588007954 YQGUARHFALVSSS-UHFFFAOYSA-N 277.371 3.560 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@H]1NC[C@H](C#N)CCC#N 581999180 ZADFOXLBVUZLQK-IEZWGBDMSA-N 295.430 3.979 30 20 CHED CC[C@@H](NCc1cc(C(C)C)no1)c1cccc(C#N)c1 902804360 OZRXQSTWMMUKDN-MRXNPFEDSA-N 283.375 3.911 30 20 CHED N#CCCSc1ccccc1N=Cc1cccc(O)c1O 730951707 OEXXNGSYUYCWKM-UHFFFAOYSA-N 298.367 3.854 30 20 CHED Cc1cccc(CON=Cc2c(Cl)nc3ccccn23)c1 736610049 QOSOMBDVGCXJNK-UHFFFAOYSA-N 299.761 3.847 30 20 CHED C=CCC[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)O 901692193 JTVUTJYCNNSTAI-AAEUAGOBSA-N 273.332 3.503 30 20 CHED C=CCOc1ccc(Oc2cc(C)nc(CC)n2)cc1 583517035 ZFRYTQORBPRVRL-UHFFFAOYSA-N 270.332 3.705 30 20 CHED Cc1ccc(CNN=C2CCC[C@H](c3ccnn3C)C2)cc1 835008526 KOWUUEASFPKBFJ-INIZCTEOSA-N 296.418 3.532 30 20 CHED C=CCC[C@@H](NC(=O)/C=C\c1ccc[nH]1)c1ccccc1 588549896 YMOWMWPCHKJNSM-MUSGIIIZSA-N 280.371 3.852 30 20 CHED FC(F)(F)c1cccc(NN=C/C=C/c2ccco2)n1 739421732 OURAZWJDVQZLPN-LNMKEZQDSA-N 281.237 3.805 30 20 CHED C=C(Cl)CNC(=O)c1cccc2c3c([nH]c12)CCCC3 736242559 NCIOFTOILMXPND-UHFFFAOYSA-N 288.778 3.529 30 20 CHED CCCCCCCN1CCC[C@H](CC(C)(C)C(N)=O)C1 830558232 PUXKEVLNWJTRMM-OAHLLOKOSA-N 282.472 3.570 30 20 CHED C=CCOc1ccccc1CN1CCC(CCC#N)CC1 584114085 BCWBWEUJJHOJKP-UHFFFAOYSA-N 284.403 3.767 30 20 CHED C#CCOc1ccc(CNC[C@H]2CCc3ccccc32)cc1 733328584 VWTZJESNYCCLAO-GOSISDBHSA-N 291.394 3.518 30 20 CHED C=C1CCC(c2nc(CCCCSC)no2)CC1 903776132 NJJKLVMKCWTXGN-UHFFFAOYSA-N 266.410 3.969 30 20 CHED CC(C)(C)OC(=O)NCCS[C@H](C#N)C1CCCCC1 901610990 JBZNFAMAPBWXQB-CYBMUJFWSA-N 298.452 3.717 30 20 CHED COc1ccccc1[C@@H](NCC1(C#N)CC1)C1CCCC1 903106824 WGULZMYMMAVCRU-KRWDZBQOSA-N 284.403 3.820 30 20 CHED Cc1cc(C)cc(COC(=O)[C@]2(C#N)CC23CCCC3)c1 837905192 KCPIFKYDSJKEFU-GOSISDBHSA-N 283.371 3.821 30 20 CHED N#CCCCCN=c1ccc2cc(F)cc(Cl)c2[nH]1 580642688 GTSSDDMSDKLLAD-UHFFFAOYSA-N 277.730 3.555 30 20 CHED C=CCCCOC(=O)c1nc2ccccc2nc1C1CC1 838101035 ZOPXXTFJIBSGJO-UHFFFAOYSA-N 282.343 3.630 30 20 CHED C=CCC1(CNC(=O)C2(F)CCCC2)CCCC1 836990504 HZCGXHNWWXXACQ-UHFFFAOYSA-N 253.361 3.521 30 20 CHED CN(C(=O)/C=C/C1CCCCC1)c1ccc(C#N)cc1F 735438270 XLLXBGMYBJPDPB-CSKARUKUSA-N 286.350 3.797 30 20 CHED Cc1ccc(C(=O)OC[C@@H](C)C#N)c(Cl)c1Cl 835238437 MPPXXGMUOGFGJO-ZETCQYMHSA-N 272.131 3.618 30 20 CHED C=CCc1ccccc1OC(=O)c1cccc(NC(=O)O)c1 736115014 UEFLWEAHPXCVKF-UHFFFAOYSA-N 297.310 3.724 30 20 CHED COc1ccnc(NN=C2CCCC[C@@H]2c2ccccc2)n1 914696761 MPFOYCLVLMXNPS-CQSZACIVSA-N 296.374 3.611 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2[C@H](C)c1ccc(C#N)cc1 595857572 LKRMQQDXLGUWLK-JFOKOBIRSA-N 254.377 3.882 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 593618357 IXDZSPHRGSCRCH-SPUZQDLCSA-N 296.414 3.721 30 20 CHED C=CCNC(=S)N[C@H](C)c1cc(Cl)ccc1Cl 745659118 GIKCMGSRWOYBID-MRVPVSSYSA-N 289.231 3.705 30 20 CHED CN(C(=O)c1cccc(C#N)n1)C1CC(C)(C)CC(C)(C)C1 598097452 OEOKQKSSPISRLZ-UHFFFAOYSA-N 299.418 3.630 30 20 CHED Cc1ccc(C2=CCN(CCCSCC#N)CC2)cc1 745942428 JLLHDUIBIUIXKT-UHFFFAOYSA-N 286.444 3.731 30 20 CHED CC(C)c1ccc2c(c1)CN(c1cccc(C#N)n1)CC2 596408951 FJOPDQILDBWKSJ-UHFFFAOYSA-N 277.371 3.639 30 20 CHED Cc1ccc(C(=O)OCC2(CC#N)CC2)cc1-n1cccc1 744277075 ZGUMIPWHHSQIRX-UHFFFAOYSA-N 294.354 3.636 30 20 CHED CCCON=C(C)c1cc(Cl)c(OC)cc1OC 842566260 ZBJFDVDIANEYPE-UHFFFAOYSA-N 271.744 3.508 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@@H](Oc2cccc(F)c2)C1 595427204 SMGREKGVERQDLH-QZTJIDSGSA-N 296.345 3.544 30 20 CHED C=CCCSCCNC(=O)c1ccc(OC(C)C)cc1 597975139 ZMMUOCGLENNAFF-UHFFFAOYSA-N 293.432 3.513 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)Cc1ccccc1Cl 916644373 SYGBJBCTSHCJSO-ZDUSSCGKSA-N 292.810 3.655 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1ccc2c(c1)CC(=O)N2 915933511 YJIVHPHFABYKKA-UHFFFAOYSA-N 299.761 3.671 30 20 CHED CCO[C@H]1CC(=NNc2ncccc2Cl)C12CCCC2 743437700 GYLBZWGLVWZZPY-ZDUSSCGKSA-N 293.798 3.872 30 20 CHED CC(C)(C)CCCn1cc(C#N)c2ccccc2c1=O 596314504 ICXDQHDMLXDODJ-UHFFFAOYSA-N 268.360 3.699 30 20 CHED CC1(C)CCCN(Cc2nsc3ccccc23)[C@H]1C#N 595466152 QBQAOBQBCZXRRS-HNNXBMFYSA-N 285.416 3.810 30 20 CHED N#CC[C@@H]1CCCN(CCc2ccccc2Cl)C1 595613549 FHGDFMGIXOKHSM-ZDUSSCGKSA-N 262.784 3.508 30 20 CHED C[C@H](C/N=C\c1ccccc1O)Oc1ccc(Cl)cc1 743044613 MXWIRGPDBJKGJP-OTWJJXBCSA-N 289.762 3.932 30 20 CHED C/C(=C\C(=O)OCc1cc(C#N)ccc1F)C(C)(C)C 745597807 BLEDZVISSLKSEL-YRNVUSSQSA-N 275.323 3.733 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](SC)c1ccccc1 598889147 TXZKHAKCXDIPKZ-AWEZNQCLSA-N 277.433 3.952 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C1CC1 749032397 GACAVFOJDUVQGG-GZMMTYOYSA-N 288.347 3.658 30 20 CHED C=C[C@@H](C)ONC(=O)CCCCCc1ccc(F)cc1 846551144 XEWRKJOENWXASW-CYBMUJFWSA-N 279.355 3.551 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@H]2CC[C@@H](C)O2)no1 599177948 WHTNOGCHCSJUIP-YWPYICTPSA-N 297.358 3.527 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc3c(c2)COC3)c1 742437519 VELSIMQFIXOLKJ-YVMONPNESA-N 264.324 3.921 30 20 CHED C#C[C@@H](NC(=O)c1cc(C(C)C)oc1C)c1ccccc1 843643114 PVZDTVSLOVOMJK-MRXNPFEDSA-N 281.355 3.816 30 20 CHED C[C@@H]1CC(=NNc2ncnc3sccc23)C[C@H](C)C1 747754802 DRWJNOBJJZIWTK-AOOOYVTPSA-N 274.393 3.915 30 20 CHED C=CCCCCNC(=O)c1ccc(OC(C)C)cc1 681145187 JVZPJMUAXHULQH-UHFFFAOYSA-N 261.365 3.560 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1ccc(C#N)cc1C 849847262 UEIFHOKZAOJZEO-INIZCTEOSA-N 277.339 3.828 30 20 CHED CC(C)c1ccccc1/C=C1\CCc2nn(C)cc2C1=O 848641586 INVULQQDCUKJTM-GXDHUFHOSA-N 280.371 3.756 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](C)c1oc2ccccc2c1C 845623749 QHHAPXKPQJNAEL-CMPLNLGQSA-N 288.347 3.608 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)[nH]1)c1ccc2ccccc2c1 752483267 LDGVLEGLSCAXSC-LBPRGKRZSA-N 290.322 3.958 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(OC)c(Cl)cc1OC 929319669 YYLOPLGPSNVHAE-JTQLQIEISA-N 297.782 3.898 30 20 CHED Cc1ccnc(NN=C[C@@H]2C[C@@H]2c2ccccc2)c1 755771770 YUPKXHBLDXTOAK-LSDHHAIUSA-N 251.333 3.591 30 20 CHED C=C(C)CN(CC)C(=O)/C=C/c1cccc(OCC)c1 858419449 MDAFAPRWCCXQPS-ZHACJKMWSA-N 273.376 3.523 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCc2cc(F)ccc2C#N)c1 759361199 GZDPYEGMMILSCL-CYBMUJFWSA-N 297.329 3.853 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(F)cc1 920386199 TXVOOROOTVTQBS-GFCCVEGCSA-N 256.324 3.901 30 20 CHED N#Cc1ccc(/C=C2/Cc3c(F)cc(F)cc3C2=O)s1 751536509 ROTHYBUOPMKYTL-BAQGIRSFSA-N 287.290 3.720 30 20 CHED C=CCCCOC(=O)C[C@@H](C)c1ccc(OC)cc1 750538594 DRFUBLSJXLHCDS-CYBMUJFWSA-N 262.349 3.698 30 20 CHED CCN(C(=O)/C(C)=C\c1cccc(Cl)c1)[C@@H](C)C#N 856076032 VJQBMDPHGJSIKB-KGTBHZDVSA-N 276.767 3.504 30 20 CHED CC1(CC(=O)Oc2ccc(C#N)cc2F)CCCCC1 753210468 ZBKHAJFXHABCDA-UHFFFAOYSA-N 275.323 3.963 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1c[nH]c2cc(C)ccc12 756012023 CTOZEDMRCMSAHN-LBPRGKRZSA-N 257.333 3.527 30 20 CHED CCCCC[C@@H](C(=O)N1CCC[C@@H](C#N)C1)C(C)C 928221655 QYDRPJYADZEVSR-LSDHHAIUSA-N 264.413 3.601 30 20 CHED CC(CC1CCC1)=NNc1cnc2ccccc2n1 758374225 DCZOKHUTFOXHAD-UHFFFAOYSA-N 254.337 3.608 30 20 CHED N#CCCNCc1c2ccccc2cc2ccccc12 920956626 GQCGVIAUPFRWFL-UHFFFAOYSA-N 260.340 3.996 30 20 CHED CCCCCCCOC(=O)c1sc(N)nc1C1CC1 758539395 ZDVCCQKQDJXDOA-UHFFFAOYSA-N 282.409 3.730 30 20 CHED CC(C)(C#N)CCCCN1CC[C@H](C(F)(F)F)C1 384978745 PVSFHMIKULWVGY-NSHDSACASA-N 262.319 3.591 30 20 CHED CCC(CC)CC(=O)OCc1ccc(C#N)cc1F 759412301 HCBFOGINOOYGDB-UHFFFAOYSA-N 263.312 3.567 30 20 CHED CCCNN=Cc1cn(-c2ccccc2)nc1C(C)(C)C 758373335 WJOYMGAYDWVFEO-UHFFFAOYSA-N 284.407 3.503 30 20 CHED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 751972009 MBEVBVVWXLKDBX-GJZGRUSLSA-N 286.375 3.693 30 20 CHED COc1ccsc1/C=C1\Cc2c(F)cc(F)cc2C1=O 751536445 QFYBKLNCSLNEEP-VMPITWQZSA-N 292.306 3.857 30 20 CHED C#CCCCN(Cc1ccccc1)C[C@@H](O)c1cccs1 766905947 NWHQHDOJGMUJPC-QGZVFWFLSA-N 299.439 3.697 30 20 CHED C=CCCC(=O)COC(=O)C[C@@H](C)c1ccccc1C 761402913 RBGJFTLCJPPLLZ-CQSZACIVSA-N 274.360 3.567 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)O[C@@H](C)C#N 766794826 QSJAAGOLDMMTDJ-XZLDQRQTSA-N 284.142 3.852 30 20 CHED COc1ccsc1/C=C1/Cc2ccc(F)cc2C1=O 764440930 CZASXUHFEGCOGZ-YFHOEESVSA-N 274.316 3.718 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H]1CCCc2nc(C)sc21 932551066 DWYTYXKIIWXODV-OCCSQVGLSA-N 292.448 3.890 30 20 CHED N#CCC1(COC(=O)c2scnc2C2CCCC2)CC1 760218996 SVTYCHHHXHYYOH-UHFFFAOYSA-N 290.388 3.651 30 20 CHED C#CCCCCCOC(=O)c1[nH]c(-c2ccccc2)nc1C 760257687 ASUHQIHOBACHJC-UHFFFAOYSA-N 296.370 3.736 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 933660043 XGLPQGZZWYIIIK-KOLCDFICSA-N 265.319 3.682 30 20 CHED Cc1ccc(F)c([C@H](C)OC(=O)c2cc(C#N)cs2)c1 764337543 FSXUPJDXWOQMFR-JTQLQIEISA-N 289.331 3.985 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccccc1CC(C)(C)C 930487505 ZXZJQAFOKPPWSN-CYBMUJFWSA-N 272.392 3.507 30 20 CHED C=CCOCCCC(=O)OCc1ccc(C(F)F)cc1 764555205 HRTFCEAUPFCYEI-UHFFFAOYSA-N 284.302 3.650 30 20 CHED C#C[C@H](OC(=O)c1cc2c(F)cccc2s1)C1CC1 767523229 PKOLSROOOZKJDA-LBPRGKRZSA-N 274.316 3.609 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1cncc(C)c1 767357089 XUKBSBNINTYYBK-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)CC#Cc1ccccc1 1116270231 JOOXYLDQTJDDCN-SJLPKXTDSA-N 283.415 3.761 30 20 CHED C#CCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 764243009 WTGHFISIHFOTJX-KRWDZBQOSA-N 252.361 3.718 30 20 CHED C=CCC1(C(=O)Nc2cc(C(C)(C)C)nn2C)CCCC1 1117790743 HOYBHBKCMRAEPT-UHFFFAOYSA-N 289.423 3.793 30 20 CHED CCC[C@H](CC)C(=O)[C@H](C#N)c1nc2ccccc2o1 873498359 AAAFGARUPJFFHC-RYUDHWBXSA-N 270.332 3.830 30 20 CHED Cc1cccc(C)c1/C=C1\C(=O)Nc2cc(C#N)ccc21 773160519 MOJNIGCZGDTDGJ-SXGWCWSVSA-N 274.323 3.668 30 20 CHED CCOC(=O)C1CCC(=NN[C@@H]2CCCCC2(C)C)CC1 773126077 SWLZREOXYIWRCL-AWKYBWMHSA-N 294.439 3.654 30 20 CHED C=CC[C@H](OC(=O)c1cc(C)nc(O)c1)c1ccccc1 778737078 KJWIMYPXUOXTLA-HNNXBMFYSA-N 283.327 3.570 30 20 CHED C=CCS(=O)(=O)Cc1ccccc1Oc1ccccc1 779366357 CLCVYWFMOLLLEN-UHFFFAOYSA-N 288.368 3.580 30 20 CHED Clc1cscc1C=NNc1ccc2[nH]ncc2c1 779815948 HSSBOHHSPFJRFV-UHFFFAOYSA-N 276.752 3.724 30 20 CHED C[C@H](Cc1cccc(F)c1)NCc1cc(C#N)ccc1F 773029458 FXACPJMDGDHLIS-GFCCVEGCSA-N 286.325 3.557 30 20 CHED C#CCCCCC(=O)Nc1ccc2c(cnn2C(F)F)c1 773317194 CMKFHVMLHUVVBD-UHFFFAOYSA-N 291.301 3.564 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@@H]1CCCC[C@@H]1C 775940715 SPWZCFSUCLVBKN-GJZGRUSLSA-N 285.387 3.854 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 1120552973 STTPDEYYMAISPF-NSHDSACASA-N 283.318 3.822 30 20 CHED O=C(/C=C/c1nc2c(s1)CCCC2)c1sccc1O 773147825 CSUCBLZNDMDJJQ-AATRIKPKSA-N 291.397 3.685 30 20 CHED C#CCOc1ccc([C@H](C)Nc2ccccc2OC)cc1 776751495 BDTIHDLYSTVCMT-AWEZNQCLSA-N 281.355 3.880 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 880864338 OGASBGNHWMTBTF-UHFFFAOYSA-N 284.403 3.898 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccccc2)c(F)c1 772802149 LBVGGLSNPNANIB-CMDGGOBGSA-N 251.260 3.593 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(OC)cc1O 776256130 KWIZFVXGGSOVPH-ZDUSSCGKSA-N 263.381 3.625 30 20 CHED C=CC(C)(C)CC(=O)Nc1cncc(Br)c1C 888902370 PQINLOISQXPALL-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C#CCCCCCC(=O)Nc1cncc(Cl)c1Cl 780038529 PATCGRTZNYVGIK-UHFFFAOYSA-N 285.174 3.911 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)COc2c(F)ccc(F)c21 783711490 DBMOFYZDMIEHHP-JXMROGBWSA-N 290.240 3.763 30 20 CHED C#CCC1(C(=O)N2CC[C@H](C(C)(C)C)C2)CCCCC1 788243196 FUZRVNWVORWFFZ-HNNXBMFYSA-N 275.436 3.855 30 20 CHED C[C@H](C(=O)OCc1ccc(Cl)cc1C#N)c1ccco1 780039966 QMPMKUSXDWLFEJ-JTQLQIEISA-N 289.718 3.652 30 20 CHED CC1(C)C[C@@H](NN=C2C[C@H]3CCCc4cccc2c43)CCO1 780251440 VHLUMKUQJSJAGQ-CABCVRRESA-N 298.430 3.762 30 20 CHED C=CCOc1ccc(COC(=O)c2cncc(CC)c2)cc1 789477389 DLMIRCMOVYIQBO-UHFFFAOYSA-N 297.354 3.566 30 20 CHED C#CCCCCCC(=O)OCc1cc(F)cc(F)c1 782303518 UUOIBJHUOJJLOA-UHFFFAOYSA-N 266.287 3.592 30 20 CHED OC[C@H](NN=Cc1csc2ccccc12)c1ccccc1 788467495 CJVRDIOLJCFFBR-INIZCTEOSA-N 296.395 3.558 30 20 CHED CC(C)[C@H]1C[C@H](Nc2ccccc2O[C@H](C)C#N)CCO1 780745537 QFXLARBIZRZMEN-CKEIUWERSA-N 288.391 3.593 30 20 CHED C=CCn1c(C2[C@@H]3CCCC[C@@H]23)nnc1N1CCC(=C)CC1 1121570237 MCZPCFXGMRCXIK-HUUCEWRRSA-N 298.434 3.524 30 20 CHED CC(C)OCCNN=C1CC(c2ccc(Cl)cc2)C1 783865010 ZARPUMNWTLNLBK-UHFFFAOYSA-N 280.799 3.588 30 20 CHED C=C[C@H](C(=O)NC[C@@H]1CCC(F)(F)C1)c1ccccc1 1123871351 IEDOTJIWLXDDMZ-OCCSQVGLSA-N 279.330 3.508 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C)c(-n2cccc2)c1 785862297 ZNMJTECFZQVLLM-QGZVFWFLSA-N 294.398 3.966 30 20 CHED Cc1ncc(C[S@](=O)CCCCC2(C#N)CCC2)s1 899392128 PRHHASMHEGAILY-LJQANCHMSA-N 296.461 3.564 30 20 CHED C=C[C@H]1CCCCN1C(=S)N[C@@H](C)c1ccccc1 782407588 JFNQRFRLJFSCLV-ZFWWWQNUSA-N 274.433 3.663 30 20 CHED N#Cc1ccccc1N(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C1CCC1 1130950540 LWZKIDMLKGYBRA-GRDNDAEWSA-N 294.398 3.880 30 20 CHED COc1ccc(NN=C2C[C@@H](C)c3c(C)cccc32)nc1 780271462 SBHXFADLBWJPAR-GFCCVEGCSA-N 281.359 3.722 30 20 CHED C=C1CCC(c2nc(Cc3c[nH]c4ncccc34)no2)CC1 896126004 JVPNBMNCFXXTEC-UHFFFAOYSA-N 294.358 3.751 30 20 CHED C#CCC1(C(=O)Nc2ccc(O)c(Cl)c2)CCCCC1 788513498 PUDUJRBVOSQFJO-UHFFFAOYSA-N 291.778 3.958 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 788037937 KPJYATOQXOUDEO-PBHICJAKSA-N 284.403 3.581 30 20 CHED COc1cc(C#N)ccc1CNc1c(C)cccc1C 83492938 WEDOXLWBRRLVPY-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CCC(C)(C)CNc1snc(Cl)c1C#N 390801502 ZMZRWTNGQWOOHG-UHFFFAOYSA-N 255.774 3.682 30 20 CHED Cc1nsc(N(C)C(=O)[C@H](C)CC2CCCC2)c1C#N 891431938 FYMWANBINSRIFI-SNVBAGLBSA-N 291.420 3.502 30 20 CHED CCC1(CC)CCCN(c2ccc(C#N)c(C)n2)C1 702029141 ZDDCYLXBSZIAEJ-UHFFFAOYSA-N 257.381 3.668 30 20 CHED CC1CCN(c2ccc(CN[C@H]3CC[C@@H](C#N)C3)cc2)CC1 799717175 JZUZPRLYMLMQIL-MSOLQXFVSA-N 297.446 3.705 30 20 CHED CSCCON=Cc1cc(Cl)c2ccccc2c1O 794572220 CNMSVNFSILFMBT-UHFFFAOYSA-N 295.791 3.912 30 20 CHED C=CCCCCC[C@H](C)Nc1ccc(CC(=O)NC)cc1 793545102 HBTJFNDHCBCUEF-HNNXBMFYSA-N 288.435 3.912 30 20 CHED CCCCOc1ccccc1C=NNc1ncccc1F 794991267 YKNHJTTZMCTXPB-UHFFFAOYSA-N 287.338 3.846 30 20 CHED CCc1cccc(C)c1NN=C(C)c1ccc(N)cc1 799494099 BCZAKJZVBJSQLB-UHFFFAOYSA-N 267.376 3.976 30 20 CHED C[C@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)cn1 798215076 STJTUBQIYFZXME-LURJTMIESA-N 299.186 3.890 30 20 CHED C[C@@H]1CCc2c(F)cccc2C1=NNc1cccc(F)n1 795008182 XQLSMMSRIDFPSQ-SNVBAGLBSA-N 287.313 3.758 30 20 CHED C=CCCC(=O)O[C@H]1CC(C)(C)Oc2ccccc21 799437878 GIKRHDHAKRGBDZ-AWEZNQCLSA-N 260.333 3.798 30 20 CHED C=CCC(C)(C)C(=O)OCCCCCn1cc(C)cn1 796474514 ROHYMQAGPHMGQD-UHFFFAOYSA-N 278.396 3.507 30 20 CHED N#Cc1ccccc1COc1c(F)c(F)cc(F)c1F 194297455 CZIXDILRMLZDRU-UHFFFAOYSA-N 281.208 3.694 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Oc2ccccc2F)cc1 792864584 GSQYRVILVREVHO-UHFFFAOYSA-N 283.302 3.846 30 20 CHED CCc1ccc2occ(C(=O)OC3(C#N)CCC3)c2c1 797114211 PPRNRHGKHNUOCC-UHFFFAOYSA-N 269.300 3.598 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)c1cccc(OC)c1 799306931 ACWNCTQJHDAJHH-UHFFFAOYSA-N 294.354 3.542 30 20 CHED COc1ccc(NN=C[C@@H](OC(C)C)c2ccccc2)nc1 793041250 MHXBOZXJJYCPDV-MRXNPFEDSA-N 299.374 3.654 30 20 CHED CCc1cccc2c1OC/C(=C/c1cccnc1Cl)C2=O 794729104 YCYNKSCMCONGBO-LCYFTJDESA-N 299.757 3.956 30 20 CHED C=C(Br)CSc1nc2ccc(F)cc2o1 1307400586 FXVPDFWCVPVHPX-UHFFFAOYSA-N 288.141 3.968 30 20 CHED CCc1cccc2c1N(CCC(C)(C)C#N)CCC2 1307553703 UUXBOBQGMWANLZ-UHFFFAOYSA-N 256.393 3.941 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H](C3CCCC3)C2)c1C#N 1163546180 YPZRJCDQXMXCBO-CYBMUJFWSA-N 289.810 3.932 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1ccc(C)cc1 1317754672 RVBGDXVUSMGBLA-NTMALXAHSA-N 268.312 3.605 30 20 CHED C[C@@H](c1ccco1)N(C(=O)CC#Cc1ccccc1)C1CC1 1319117264 JRSVSFQIDNQAFU-HNNXBMFYSA-N 293.366 3.773 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCc2cccc(Cl)c21 1327101487 IQUJBIKTNTVXOZ-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CCCCNc1nnc(S[C@@H]2CC[C@@H](C#N)C2)s1 1324719534 CXVYSZWDKMWBCZ-NXEZZACHSA-N 282.438 3.534 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2ccc(OCC#N)cc2)CC[C@H]1C 1325099064 FNOPLRXLIKHOFB-HZSPNIEDSA-N 286.375 3.600 30 20 CHED CCCCCCCc1nnc(-c2cccc(C)n2)o1 1326364303 ZKZDLNKSZBCTTC-UHFFFAOYSA-N 259.353 3.953 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)Oc1ccccc1 1326466621 MFGGFELKEJDETA-UHFFFAOYSA-N 275.392 3.563 30 20 CHED C=C(C)CCc1noc(-c2csc(-c3ccco3)n2)n1 1323533160 PQGXJXXHUHPISU-UHFFFAOYSA-N 287.344 3.962 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC[C@@H](SC)C2)CCCCC1 1326481785 KPLREOBVEUKBSM-ZIAGYGMSSA-N 281.465 3.913 30 20 CHED N#Cc1ccc(COc2cccc3c2CCCC3=O)s1 1334026404 LSFAMVWKHPCWKV-UHFFFAOYSA-N 283.352 3.718 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccnn2[C@H](C)CC)c1 1337670588 UYZCPBRCUZSBRJ-CQSZACIVSA-N 295.386 3.502 30 20 CHED C=C1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 1335745143 KOHCFDIGTPLYFG-UHFFFAOYSA-N 290.672 3.763 30 20 CHED COc1cc(NC(=O)/C=C(/C)C(C)(C)C)c(F)cc1C#N 1331485685 ZXCSODAKCBVTFE-POHAHGRESA-N 290.338 3.637 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@H](CC)C1 1263327807 VMLJFUWGIKNFRY-STQMWFEESA-N 294.468 3.515 30 20 CHED Fc1ccc(CNN=Cc2ccc(F)cc2Cl)cc1 1340589162 ICXFLYMSOCAKNG-UHFFFAOYSA-N 280.705 3.742 30 20 CHED Cn1c(Cl)cnc1[C@H](C#N)C(=O)C1(C)CCCCCC1 1347337938 OAJJIJDGYZUDFB-LLVKDONJSA-N 293.798 3.610 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C(C)(C)CC)o1 1262712204 WXGDHEKYWFKMRG-GFCCVEGCSA-N 263.385 3.692 30 20 CHED Cc1c(C#N)c(NC(=O)[C@H]2CCC[C@H](F)C2)n2ccccc12 1262090453 QRKTYAZTMABZMA-STQMWFEESA-N 299.349 3.586 30 20 CHED CCCC(=NNc1ccc(C(C)(C)C)nn1)c1cccnc1 1343882067 MSWKKIOHFKEERD-UHFFFAOYSA-N 297.406 3.785 30 20 CHED C=CCC1(NC(=O)NCCCC(F)F)CCCCC1 1350917446 DXOUSQZBMCIUPR-UHFFFAOYSA-N 274.355 3.610 30 20 CHED C=CCN(C(=O)c1ccnc(-c2ccccc2)n1)C(C)(C)C 1355009956 JTYMYTHVZQRVLM-UHFFFAOYSA-N 295.386 3.570 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1cccc(C#N)c1)C2 219214182 SVXBKGAKCAAVBV-BQFCYCMXSA-N 268.404 3.863 30 20 CHED CN(C(=O)[C@@H]1Cc2ccccc21)c1ccc(C#N)c(Cl)c1 1287626493 PWEAXDNMQLULQW-OAHLLOKOSA-N 296.757 3.514 30 20 CHED C=C(CC)C(=O)N(Cc1cccc(OC)c1)CC(C)C 1527618582 NGOKNGXGKDURMB-UHFFFAOYSA-N 275.392 3.646 30 20 CHED CCCCCCCCCC(=O)N1CCC(C#N)CC1 110483179 QBOUCQAJHZOXSJ-UHFFFAOYSA-N 264.413 3.889 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1cccc(C#N)c1F 223517722 GCQNXSSJXXUMMU-LLVKDONJSA-N 286.375 3.878 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)O[C@@H]1CCC[C@H](C#N)C1 1460793434 CTPUFRUNVIKDRF-LXTVHRRPSA-N 263.381 3.828 30 20 CHED CC[C@H]1CCC1=NNc1ccc(C(=O)O)c(Cl)c1 1605160909 KHFSZSVMHASLBW-QMMMGPOBSA-N 266.728 3.626 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)cc1C#N 1532393192 YWCVVINPZWQWPX-UHFFFAOYSA-N 295.729 3.644 30 20 CHED N#CCCC[C@H](NCc1occc1C(=O)O)c1ccccc1 1610621390 HUFKZQCKAUSOLQ-HNNXBMFYSA-N 298.342 3.503 30 20 CHED Cc1cc(C)cc(OCc2ccc(C#N)cc2F)c1 19804884 YQVJTGVZCACXBZ-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C[C@@H](NCc1ccccc1F)c1ccc(C#N)cc1 19949905 ZXOKGGKLKZCEGP-GFCCVEGCSA-N 254.308 3.548 30 20 CHED C=C(CNC(=O)c1ccc(C(C)C)cc1O)c1ccccc1 1642089270 SFLDEUFHUYEQDY-UHFFFAOYSA-N 295.382 3.959 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N(C)C1CCC1 1749267430 SBTPPLCDHVOZLQ-UHFFFAOYSA-N 294.830 3.677 30 20 CHED Cc1cc([C@@H](C)NCc2cccc(C#N)c2F)c(C)o1 230636902 CNDHWGNIMCUFDL-LLVKDONJSA-N 272.323 3.758 30 20 CHED C=CCOCCSc1cc2ccccc2cc1C(=O)O 1588868820 XNJYOCHWVLZQGC-UHFFFAOYSA-N 288.368 3.833 30 20 CHED Cc1ccccc1Cc1noc(-c2ccc(C#N)s2)n1 230958235 UXKRXZQATKVOHS-UHFFFAOYSA-N 281.340 3.569 30 20 CHED CC(C)(CCC#N)CNc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 1590656349 PUUXCRUEJSUUMM-LSDHHAIUSA-N 286.375 3.617 30 20 CHED CCCCCCC[C@@H](C)CN=c1cc[nH]cc1C(=O)O 1776782431 ZFKGFKUNNFBSFY-CYBMUJFWSA-N 278.396 3.610 30 20 CHED Cc1cccc(Cl)c1NN=C1CC[C@@H](CC(=O)O)[C@@H]1C 1776060691 JHYJYMWPYJCHJE-QWRGUYRKSA-N 294.782 3.937 30 20 CHED Cc1c(NN=C2CCC[C@H](C(F)F)C2)cccc1C(=O)O 1776088419 KXZDBLXYTKVASG-JTQLQIEISA-N 296.317 3.916 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)o2)c(C)c1 1776132798 GBAWSLAIBVJDNB-ALCCZGGFSA-N 284.311 3.799 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cc(C(=O)O)ccc1F 1777465291 KNFZEYVGMOAFKT-CLFYSBASSA-N 284.286 3.728 30 20 CHED CC1(C)CCC[C@@H](Nc2c(C#N)nnc3ccccc23)C1 150195839 FKDVNMZKTPNZJR-GFCCVEGCSA-N 280.375 3.882 30 20 CHED CC(C)CCn1cccc1CNCc1cccc(C#N)c1 161623905 LVWDAKVKTGKTHR-UHFFFAOYSA-N 281.403 3.696 30 20 CHED CCN(C[C@@H]1CCCO1)c1ccc(C(F)(F)F)c(C#N)c1 164430711 JOAGDNIYJHAFBD-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED C=CCCS[C@@H](C)C(=O)N(CC)c1ccccc1 151979871 OKRUKYLKPOWAMS-ZDUSSCGKSA-N 263.406 3.737 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2cc(O)cc(O)c2)c1 152701371 MBEJDAQZYVQVHT-VOTSOKGWSA-N 298.338 3.781 30 20 CHED C=C(C)CNC(=O)c1c(-c2ccccc2Cl)noc1C 153043278 YTQHWMHXALJHIA-UHFFFAOYSA-N 290.750 3.609 30 20 CHED C=CCC[C@H](NC(=O)NCc1ccco1)c1ccccc1 153293020 SESJBPKKKPGCSM-INIZCTEOSA-N 284.359 3.786 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)C(C)(C)c1ccccc1 156127567 NYWCMKUIJPBWKL-HNNXBMFYSA-N 298.430 3.943 30 20 CHED COc1cc(C#N)ccc1CNc1cc(F)ccc1C 157742369 FUMFCLJYQPCBJW-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@H]2CC(C)C)c1 154125109 NXSADJLLCSKFQQ-INIZCTEOSA-N 270.376 3.710 30 20 CHED C=CCCOC(=O)[C@H](OC(C)(C)C)c1ccccc1 156411832 RJGQXWAQSRYPQV-CQSZACIVSA-N 262.349 3.662 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1ccco1 156786607 RGACTQSOKJTPKS-ZIAGYGMSSA-N 261.365 3.588 30 20 CHED N#Cc1ccc(Nc2cccc(C(=O)N3CCCC3)c2)cc1 154612970 PMGSNDQCKGCPOJ-UHFFFAOYSA-N 291.354 3.538 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H](C)C=C)c1ccccc1 159300323 VSULFQUVXQNZMF-ZFWWWQNUSA-N 258.365 3.568 30 20 CHED C=CCC[C@H](N[C@@H](C)CCn1cccn1)c1ccccc1 159125074 VIDQWDQEEKCXNO-WMZOPIPTSA-N 283.419 3.959 30 20 CHED CCCc1ccc(CNCc2ccc(C#N)cc2)cc1 915680846 DUUBWBOXIQXBBL-UHFFFAOYSA-N 264.372 3.801 30 20 CHED N#CCOc1cccc(NCc2c(O)cccc2Cl)c1 127282004 CYPDEMCKFAQKRQ-UHFFFAOYSA-N 288.734 3.560 30 20 CHED C=CCC(C)(C)CNCc1ncc(Br)s1 339416513 LRFARMGJUVWOCV-UHFFFAOYSA-N 289.242 3.598 30 20 CHED CC(C)C1CCC(NCc2ccc(C#N)cc2)CC1 54555980 QBYNEPAEFJGMKG-UHFFFAOYSA-N 256.393 3.863 30 20 CHED COc1cccc(Cl)c1CNCC(C)(C)CCC#N 188280811 JUFPNUYEMQSLNM-UHFFFAOYSA-N 280.799 3.768 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)c(F)c2)s1 191989310 BYVBSQRCUXKWLE-UHFFFAOYSA-N 274.364 3.699 30 20 CHED CCc1nc(C#N)cc(NC(C)(C)CC(C)(C)C)n1 308370594 KOKYZAFYWMTNRP-UHFFFAOYSA-N 260.385 3.537 30 20 CHED N#Cc1cc(F)cc(OC[C@H]2CCCC(F)(F)C2)c1 311847974 IBQUOMYAFVLSSR-JTQLQIEISA-N 269.266 3.902 30 20 CHED N#Cc1cccc(CNCc2ccsc2Cl)c1 312568305 ZFJQFRYQIGZAEJ-UHFFFAOYSA-N 262.765 3.563 30 20 CHED Cc1csc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)n1 80272922 STYULAPMZVRIEW-NWDGAFQWSA-N 271.389 3.735 30 20 CHED Cc1ccc([S@@](=O)Cc2ccc(CC#N)cc2)c(C)c1 342152808 YRVURSJTJNTDQN-FQEVSTJZSA-N 283.396 3.677 30 20 CHED CC[C@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1Cl 384292796 XVQGFNMWHIBERN-ABAIWWIYSA-N 262.784 3.832 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 397668397 PQKIXJQNJRIJQJ-LBPRGKRZSA-N 293.208 3.575 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc(Br)c2)C1 397682531 UJXVXEMIYQMGBY-LBPRGKRZSA-N 293.208 3.575 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(F)c(F)c2)no1 109537755 WSHGNTPHLJUXDX-SECBINFHSA-N 280.274 3.669 30 20 CHED CCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 104658527 AKCBNRRAFPXZLD-UHFFFAOYSA-N 295.342 3.882 30 20 CHED C=CCn1c(Sc2nc3ccccc3o2)nnc1C1CC1 51536878 IHALJCOQCFCLGP-UHFFFAOYSA-N 298.371 3.634 30 20 CHED C#CCCCN[C@H](C)c1ccc(SC)c(F)c1 178055802 BLUZRYLDTWFITD-LLVKDONJSA-N 251.370 3.612 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(C)c2)cc(OC)c1 23164424 VOGKLCAUMNDMTP-BQYQJAHWSA-N 282.339 3.908 30 20 CHED N#Cc1cc(Cl)ccc1NCc1cccc(F)c1 52856925 UNFJCCRGRAYVAV-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C#CCCCN[C@H](C)c1cc(Br)ccc1F 178058489 RNWKRQPIYLPANO-SNVBAGLBSA-N 284.172 3.652 30 20 CHED C[C@@H](c1ccco1)N(C)Cc1cn2ccccc2c1C#N 69067447 DPODWNAAWTZJLD-ZDUSSCGKSA-N 279.343 3.597 30 20 CHED C=CCCSc1nccn1-c1cccc(OC)c1 303828539 QLVIPOQTQXYWBB-UHFFFAOYSA-N 260.362 3.549 30 20 CHED C=C(C)CNc1ccccc1OC[C@@H]1CCCCO1 67959556 UXLSCBMLTWTLNN-AWEZNQCLSA-N 261.365 3.623 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)ccc1N1CCCC1 116623826 MVTNOCUCJQBXSX-UHFFFAOYSA-N 286.419 3.633 30 20 CHED O=C(C#Cc1ccccc1)N1CCC[C@H]1c1cccc(F)c1 176077338 GKIAXGOMAGCMMY-SFHVURJKSA-N 293.341 3.541 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(OCCC)c1 117000004 FQXYVRRQPQOSTC-GFCCVEGCSA-N 262.353 3.562 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 174295293 OZIZUVDYNZXLQQ-YOEHRIQHSA-N 285.387 3.656 30 20 CHED N#C[C@H](NC(=O)C1=CCCC1)c1ccc(Cl)c(Cl)c1 119239809 KTTLWVROSRCOQR-ZDUSSCGKSA-N 295.169 3.785 30 20 CHED C[C@@H](Sc1ccccc1Cl)C(=O)OCCCC#N 62404394 RIVFQJNCUKBFCL-SNVBAGLBSA-N 283.780 3.668 30 20 CHED CC[C@H](C)[C@@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 404159369 UCQKTNPZLVTVJX-GOEBONIOSA-N 284.403 3.626 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)cc1C 119920354 XMPLXKGKYVMWLN-UHFFFAOYSA-N 298.317 3.597 30 20 CHED CCN(C/C=C/c1ccc(Cl)cc1)C[C@@H](C)C#N 179816720 AIORISLCHAPROK-IHVVCDCBSA-N 262.784 3.835 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1Nc1cccc(F)c1C#N 302416468 IWRNUOIWUJIKTP-CVEARBPZSA-N 276.355 3.703 30 20 CHED CCOC[C@H](Nc1ccc2cc(C#N)ccc2n1)C(C)C 302692382 RYUFKCSLYJCFFO-INIZCTEOSA-N 283.375 3.579 30 20 CHED CC(C)CS[C@H](C)C(=O)N(CCC#N)c1ccccc1 69050241 IDZRQSRULJMKKR-CQSZACIVSA-N 290.432 3.711 30 20 CHED C=CCC[C@@H](NCc1cccc(Cn2ccnc2)c1)C1CC1 120090949 KJCGPPLVHGBWSW-LJQANCHMSA-N 295.430 3.766 30 20 CHED C#CCCCCC(=O)OCc1coc(-c2ccccc2)n1 180617800 LIZGJNPJDXALJQ-UHFFFAOYSA-N 283.327 3.578 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CCC)Cc1ccccc1 180965199 PKZWUMBISPYVKH-INIZCTEOSA-N 274.408 3.615 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C#N)c1 120093171 ZHOATAPWYQVLPH-OAHLLOKOSA-N 289.354 3.740 30 20 CHED N#CCSCCCN(C1CC1)[C@@H]1CCc2ccccc21 72515182 JKYSILWMKAKUQR-QGZVFWFLSA-N 286.444 3.785 30 20 CHED C#CCCCN[C@H](c1ccccc1)c1ccc(OC)cc1 180653747 YWENGMBGUYLSFL-LJQANCHMSA-N 279.383 3.788 30 20 CHED CCCCCCCSc1nnc(C(F)F)n1C 181212655 MQLVAEQYVBGQBV-UHFFFAOYSA-N 263.357 3.815 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)[C@H](C)C2 180083143 MOHWBLYWOPNZNZ-KUHUBIRLSA-N 276.383 3.890 30 20 CHED C=CCC1(C(=O)N[C@@H]2CS[C@H](C)C2)CCCCC1 412575906 DGYHUJJYNAXGDN-OLZOCXBDSA-N 267.438 3.523 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1ccccc1Cl 187962397 IFZMACGCKJKGKK-LRDDRELGSA-N 295.810 3.746 30 20 CHED CCc1sc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1C 434022006 OKUFXTXIEJWSCX-CQSZACIVSA-N 290.432 3.773 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 188575404 ULJUICFFINHJAI-ZMSDIMECSA-N 281.440 3.689 30 20 CHED C[C@H](CC(=O)OCc1ccc(C#N)cc1)c1ccccc1 72205222 HLICBXYUORKUGG-CQSZACIVSA-N 279.339 3.795 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 128555023 JRSCYVVSQKDKMN-MOPGFXCFSA-N 299.389 3.832 30 20 CHED C#CCCCCC(=O)Nc1cccc2c1CN(CC(C)C)C2 180435068 CITLGZUNTYGTBC-UHFFFAOYSA-N 298.430 3.790 30 20 CHED CC#CCCCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 186102998 IJTJKUBNHWSGQW-UHFFFAOYSA-N 295.386 3.583 30 20 CHED CCN(Cc1ccc(C#N)c(F)c1)Cc1occc1C 412032380 YYYYELMROMRDKC-UHFFFAOYSA-N 272.323 3.621 30 20 CHED Cc1cc(NC2CCC(F)(F)CC2)c(C#N)cc1[N+](=O)[O-] 413216895 VYFISELIICWMSS-UHFFFAOYSA-N 295.289 3.765 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 37150713 GFKCWFUBWCCFGX-AWEZNQCLSA-N 283.371 3.808 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(C(C)C)[C@H](C)c1ccccc1 410894217 UGKKJWKUBZIBQK-OIISXLGYSA-N 287.403 3.576 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC2CC=CC2)c1 127135223 MRBRAHCMBMURSO-UHFFFAOYSA-N 252.239 3.708 30 20 CHED CCOc1ccccc1OC(=O)/C=C/c1ccccc1C#N 73142452 YEWJENKJPNUCRN-VAWYXSNFSA-N 293.322 3.576 30 20 CHED C[C@H](SCCn1cc(Cl)cn1)c1ccc(C#N)cc1 419412493 CIMDMVMPKJIAPL-NSHDSACASA-N 291.807 3.903 30 20 CHED C=CCSCCNC(=O)c1cc2cc(C)c(C)cc2o1 79801968 WDTVTDDEQAJHMU-UHFFFAOYSA-N 289.400 3.699 30 20 CHED C=C(C)CN(CC)C(=O)COc1ccc(Cl)c(CC)c1 410370436 CWJFZLJMSHNANK-UHFFFAOYSA-N 295.810 3.706 30 20 CHED C=C(Cl)CN1CC[C@H](c2c(F)cccc2F)C1 185330520 FEFCHWOKPSKXFX-JTQLQIEISA-N 257.711 3.507 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(c3c(F)cccc3F)CCC2)C1 414228099 DFZPKBOXCHGPMN-OLZOCXBDSA-N 290.357 3.668 30 20 CHED CCC[C@@](C)(CC)C(=O)N1CCc2cc(C#N)ccc21 416012302 LBQREAZINISVDB-QGZVFWFLSA-N 270.376 3.664 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1CCCSCC#N 135354470 LODPBRBRYGHLKA-KBPBESRZSA-N 254.443 3.534 30 20 CHED C[C@H](CCC#N)N(C)CCCc1cc(-c2ccccc2)n[nH]1 411227164 MJCHXLBOKKGPME-OAHLLOKOSA-N 296.418 3.633 30 20 CHED COc1ccc(Cl)c(NCc2ccccc2C#N)c1 43317801 UQEPDHMQLXDBLA-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1cncc(CSc2nc3c(cc2C#N)CCCC3)c1 189821369 XEACVKVSRLKBQQ-UHFFFAOYSA-N 295.411 3.828 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1coc2ccccc12 130754184 ZWIGBCXWUFHDJF-UHFFFAOYSA-N 276.339 3.936 30 20 CHED CCN(Cc1ccc(Br)cc1F)C[C@@H](C)C#N 42287665 OIWJJVDBQPKINI-JTQLQIEISA-N 299.187 3.570 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc2c(c1)CCCN2 415875767 ZPTZHXALZNPUDD-UHFFFAOYSA-N 287.407 3.769 30 20 CHED C=C(Br)CN[C@H](C)c1ccc(Cl)cc1 49525783 KETRJUTYBGSARJ-SECBINFHSA-N 274.589 3.899 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(Cl)ccc1C 136180190 SXPFQZHJFKAHQO-CYBMUJFWSA-N 250.729 3.527 30 20 CHED C=C(C)CCc1noc(-c2ccc(Cl)s2)n1 508638754 SMHFGCMRIHEIOE-UHFFFAOYSA-N 254.742 3.960 30 20 CHED C=CCCC(=O)CSc1nc2cc(Cl)ccc2n1C 134787194 OCEZPZFVTRPWDK-UHFFFAOYSA-N 294.807 3.854 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 191801751 DUQSHAKUQQZMRJ-KRWDZBQOSA-N 285.343 3.642 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](CC)c1cc(F)ccc1F 130151976 DTNNOZOYFLFOFV-ABAIWWIYSA-N 297.345 3.513 30 20 CHED CC[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 47053117 VLAZTLICCWBMTI-CZUORRHYSA-N 285.391 3.593 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 134164253 BRRPHODKUDPJFC-PVAVHDDUSA-N 299.418 3.909 30 20 CHED CC(C)(C)CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505933053 DRSGBWFMOYBZBO-LBPRGKRZSA-N 298.308 3.822 30 20 CHED COc1ccc(OC)c([C@H](C)NCC(C)(C)CCC#N)c1 229683400 QDOZHHAUAIEDCL-ZDUSSCGKSA-N 290.407 3.684 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OCC)c(F)c1 429815091 YXXSGMMKYPPKIV-UHFFFAOYSA-N 265.328 3.765 30 20 CHED CC(C)OCCCCNc1cccc(Cl)c1C#N 225319751 UXXIKWUVLFMJDH-UHFFFAOYSA-N 266.772 3.829 30 20 CHED C[C@@H](c1ccco1)N(C(=O)Nc1ccc(C#N)cc1)C1CC1 86164941 FYXKYZOTLVNWPJ-LBPRGKRZSA-N 295.342 3.909 30 20 CHED Cc1cc(N/C(O)=N/[C@H]2CCCCC23CCCC3)n(C)n1 329595932 IJDQGYCJRCPLGW-ZDUSSCGKSA-N 290.411 3.557 30 20 CHED C=CCN(CCOC)C(=O)Nc1ccc(C(C)(C)C)cc1 191885851 PHGDEUBOHDWFLG-UHFFFAOYSA-N 290.407 3.650 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCC1CCC(F)(F)CC1)CC2 517265485 HIWROKUJNCCNQN-MRXNPFEDSA-N 290.357 3.961 30 20 CHED N#CC[C@@H](CC(=O)NC[C@@H]1C[C@H]1C1CCC1)c1ccccc1 424911837 ZYYMORJMCIXNMB-BZSNNMDCSA-N 296.414 3.626 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 421137796 GTSRSUWSWQDDCK-UHFFFAOYSA-N 298.386 3.802 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCCC[C@H]2c2ccccc2)C1 424333924 UVROVLWGPWETBK-UBDQQSCGSA-N 268.404 3.995 30 20 CHED C=CCCC(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F 511834699 ZWNQUXKCUTTWRX-ZDUSSCGKSA-N 271.282 3.681 30 20 CHED C#CCCCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 192055542 SDBWDVGHZWYYRL-CQSZACIVSA-N 269.388 3.546 30 20 CHED CO[C@@H](C)C/N=C(/O)Nc1ncc(C2CCCCC2)s1 331283022 JVAADKZTSFBNDY-JTQLQIEISA-N 297.424 3.552 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@H](C)OC1CCCCCC1 332049436 VSQSECHEDROVHT-YOEHRIQHSA-N 294.439 3.559 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 332310421 XFPVCDNFDKKKPC-RRQGHBQHSA-N 297.402 3.909 30 20 CHED N#Cc1cccc2c1CCN2C(=O)CCC1CCCCC1 421653607 ZZGAGORLLDCZGL-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C=CCCC(=O)O[C@@H](C)c1ccc(SC)cc1 194849835 BRNFUCKJSAWFBF-NSHDSACASA-N 250.363 3.979 30 20 CHED N#Cc1nccnc1SC1CCC(C(F)(F)F)CC1 334619609 BWASHBLRLBFRQE-UHFFFAOYSA-N 287.310 3.561 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC/C=C\c1ccc(F)c(F)c1 512355269 UPMUWUQXXQCELR-GPAZVNKHSA-N 293.357 3.549 30 20 CHED C=CCSc1nnc(-c2cccc(C)c2)n1CC 97528621 DSEMRBYTNWISSA-UHFFFAOYSA-N 259.378 3.552 30 20 CHED N#Cc1cc(NC(=O)C(C2CCC2)C2CCC2)ccc1F 336846970 SICRJKRICCJQEV-UHFFFAOYSA-N 286.350 3.852 30 20 CHED Cc1cc(N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(C#N)cn1 425273702 YKTZZWSIPIKDCD-BETUJISGSA-N 297.324 3.819 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(F)c2ccccc12 234287498 ZXPZTHUADURVTG-UHFFFAOYSA-N 257.308 3.627 30 20 CHED CCCN(Cc1cccc(OCCCC#N)c1)CC(F)F 92737463 WMONRUJHTKRZEW-UHFFFAOYSA-N 296.361 3.846 30 20 CHED CS[C@@H]1CC[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1 92917581 FXZRTHRSILWDFA-ZIAGYGMSSA-N 283.400 3.802 30 20 CHED COCc1ccccc1/C=C(/C)CN1CCC(C)(C#N)CC1 512333518 GTMVSUQEVRXUCC-VBKFSLOCSA-N 298.430 3.862 30 20 CHED C=CCN(Cc1cccs1)c1ccc2c(c1)OCCO2 96982651 FBKCYFXMLUXRQV-UHFFFAOYSA-N 287.384 3.712 30 20 CHED N#CCc1cccc(C(=O)N2CCc3cc(Cl)ccc32)c1 334362237 CTGKBBHYZXKMII-UHFFFAOYSA-N 296.757 3.609 30 20 CHED N#Cc1cccnc1N1CCCC[C@H]1c1ccc(F)cc1F 432055089 OQMIRWNHHOVJEW-INIZCTEOSA-N 299.324 3.963 30 20 CHED Cc1ccnc(-c2cccc(N=C(O)[C@@H]3CC[C@@H](C)O3)c2)n1 330076090 GRNFECKCJASYCY-DOMZBBRYSA-N 297.358 3.608 30 20 CHED C=CCC(C)(C)CNCc1c(C2CC2)nc2sccn12 339418577 WMJAZDOJDYWWJA-UHFFFAOYSA-N 289.448 3.965 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 335517073 WOILHSPPQJHKNI-TZMCWYRMSA-N 293.432 3.639 30 20 CHED COc1cc(OC/C=C\c2ccccc2)ccc1C#N 435793816 DSVTUMQSQXDGKN-YVMONPNESA-N 265.312 3.659 30 20 CHED C=CC[C@H](C)NC(=O)c1[nH]c2ccccc2c1Cl 342361599 RQRWCQQRALHEGG-VIFPVBQESA-N 262.740 3.516 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C#N)cc2)C1 343616233 CTDLETBXAUBUAU-KDOFPFPSSA-N 290.366 3.782 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 431749912 MJRSOAHJYHFLRE-IJEWVQPXSA-N 297.402 3.957 30 20 CHED CC1(C)Cc2occc2[C@H](NCCc2cccc(C#N)c2)C1 343500680 AYUHMYGAONGRFO-QGZVFWFLSA-N 294.398 3.997 30 20 CHED COc1cc(NC[C@H](C)CCC#N)c(OC)cc1Cl 602497505 VNSGBIZUENNVGO-SNVBAGLBSA-N 282.771 3.709 30 20 CHED C[C@H](CC(=O)N(C)Cc1ccc(C#N)cc1)CC(C)(C)C 603872016 NDOWBDHZNAJARS-CQSZACIVSA-N 286.419 3.979 30 20 CHED Cc1oc2ccccc2c1CNc1cnccc1C#N 341951787 AKTBSJKDJUDNFU-UHFFFAOYSA-N 263.300 3.620 30 20 CHED Cc1cccc(C2(C(=O)NCCCC#N)CCCCC2)c1 342619191 MYHQNDJPEBNBGE-UHFFFAOYSA-N 284.403 3.617 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccccc1C 524839114 URMILOREFAYQCR-UHFFFAOYSA-N 274.408 3.883 30 20 CHED C[C@H](CCC#N)CN(C)[C@H](C)c1ccc(F)c(F)c1 602437480 YSVYYIIKOYOVSM-VXGBXAGGSA-N 266.335 3.897 30 20 CHED COc1ccc(/C=C\C(=O)c2occc2C)cc1OC 255643486 YMIAIOUQHJGDLA-XQRVVYSFSA-N 272.300 3.501 30 20 CHED C=CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1 537852749 MEVMZUMODDFCIK-UHFFFAOYSA-N 299.201 3.582 30 20 CHED N#CCc1ccc(N=Cc2cc(Cl)ccc2O)cc1 255305161 QGKIPCZPMJHDAI-UHFFFAOYSA-N 270.719 3.862 30 20 CHED Oc1nc2ccccc2cc1/C=N\Cc1ccsc1 255322119 OGFRIUJWSOLAGR-SXGWCWSVSA-N 268.341 3.621 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1ccc(Cl)nc1 254998595 GQAAWCAXRBZRFY-XQRVVYSFSA-N 261.683 3.770 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccc(C)cn2)CCCC1(C)C 444954935 SFNZDPANVHYVNZ-CQSZACIVSA-N 287.407 3.989 30 20 CHED C=C(C)COc1cccc(N[C@H]2CSC[C@H]2C)c1 449056279 ZYALQMMXFTTZBD-DOMZBBRYSA-N 263.406 3.805 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(C#N)s2)o1 343330683 IIDZESQIPZCSII-QMTHXVAHSA-N 272.373 3.626 30 20 CHED CC(=O)Nc1c(C)ccc(NC[C@@H](C)CCC#N)c1C 602487266 JSMHQMYKVWCZAM-NSHDSACASA-N 273.380 3.614 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(Cl)c2ncccc12 604904610 LRRAHPZOABWNKZ-SNVBAGLBSA-N 289.766 3.974 30 20 CHED CC(C)(NC(=O)Nc1ccc(C#N)cc1)c1cccs1 609741997 SGRYJCZBDDUUKE-UHFFFAOYSA-N 285.372 3.677 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 604880545 XOENGHIVQXEKAF-KBPBESRZSA-N 289.419 3.832 30 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265.784 3.663 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)nc1 810567765 BHEDZICFPSLZLG-ZDUSSCGKSA-N 294.354 3.995 30 20 CHED C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C1CC1 577500046 JZRNSWVLQOKAST-UHFFFAOYSA-N 288.782 3.556 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)n1)c1cccc(Cl)c1 810551281 RONINUYEGXHEHC-SNVBAGLBSA-N 286.718 3.525 30 20 CHED N#C[C@@H]1CC[C@@H](S[C@@H]2CCc3ccccc3C2)C1 577651591 LHKHFWNFEKQTIM-DAXOMENPSA-N 257.402 3.969 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@H]2CC(C)C)c1 726488571 WWBHVCXLVJFXLU-INIZCTEOSA-N 286.444 3.875 30 20 CHED C=CCC(C)(C)CNC(=O)C1(CC(C)C)CCC1 489907335 KTXXGWRBLSEKDK-UHFFFAOYSA-N 251.414 3.921 30 20 CHED CC[C@]1(CNc2ccc(C#N)cc2)OCCc2ccccc21 572850387 DRKILLPYTCKYMI-LJQANCHMSA-N 292.382 3.848 30 20 CHED Cc1cc(Cl)cc(C=NNc2cccc(F)n2)c1 814927922 NKMHHJKKDHLFBH-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCCNC1CCN(Cc2c(F)cccc2Cl)CC1 657583793 QGDLLDSCIJCLMR-UHFFFAOYSA-N 296.817 3.609 30 20 CHED C=CCC1(NCc2ccccc2Cl)CCOCC1 657632136 AEFXYBSIMRNKOZ-UHFFFAOYSA-N 265.784 3.555 30 20 CHED C=CCC1(NC[C@H](C)CCc2ccccc2)CCOCC1 657633797 XEXDQZFTIZSNMQ-QGZVFWFLSA-N 287.447 3.970 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1coc2ccccc12 571590332 SHPCJODXCGSOAV-CYBMUJFWSA-N 286.375 3.977 30 20 CHED Cc1ccccc1C1(C(=O)OCc2cccc(C#N)c2)CC1 727016230 UWEOVCVHIMXDPT-UHFFFAOYSA-N 291.350 3.642 30 20 CHED C=CCCOC(=O)/C=C\c1ccccc1O[C@H](C)CC 729888701 DYTTUAAPZUELDL-XMXAVACDSA-N 274.360 3.996 30 20 CHED Cc1ccoc1C(=O)N(O)Cc1cccc2ccccc12 900091768 MJKBWLZDKQVAPF-UHFFFAOYSA-N 281.311 3.773 30 20 CHED C[C@]1(CCOC(=O)c2cccc(CC#N)c2)C[C@]1(F)Cl 822071810 XGWSUJSOLGOHFP-LSDHHAIUSA-N 295.741 3.614 30 20 CHED CCCCn1nc(C)c(/C=C/C(=O)c2ncco2)c1Cl 901520282 VJEPXMVALQBPBW-AATRIKPKSA-N 293.754 3.529 30 20 CHED CNc1nnc(SCCCCC2(C#N)CCC2)s1 901420522 JJFZBMNJYTVJFA-UHFFFAOYSA-N 282.438 3.536 30 20 CHED CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)C#N 903101840 NOMGYQGJZKZSCF-SNVBAGLBSA-N 293.392 3.517 30 20 CHED C=C(C)C[C@@H](N[C@H](C)CC(C)(C)c1ccccc1)C(=O)O 901680369 WWBABJGDJDFVTR-GDBMZVCRSA-N 289.419 3.752 30 20 CHED C=CCCC[C@H](C)NC(=O)/C=C\SCc1ccco1 492369898 WSXDAPATSOLTNJ-FUWURINLSA-N 279.405 3.888 30 20 CHED CCCCCCCCn1cnc2snc(C)c2c1=O 829546828 JKQSRYAGAFQVOH-UHFFFAOYSA-N 279.409 3.522 30 20 CHED C=CCCCCNC(=O)NC[C@@H]1CCCCC(F)(F)C1 490229573 IDLPGVMNXFZKAW-CYBMUJFWSA-N 288.382 3.858 30 20 CHED CC(C[C@H]1CCOC1)=NNc1cc(Cl)ccc1C 901317078 GKURGCXAUWURNV-GFCCVEGCSA-N 266.772 3.863 30 20 CHED N#C[C@@H](c1ccc(Cl)cc1)N1C[C@H]2CCC[C@H]2C1 585719625 FUBKDYPESAVUGI-GUTXKFCHSA-N 260.768 3.637 30 20 CHED C=CCCNC(=O)Nc1cc(Cl)c(C)cc1Cl 666422699 PLEXZYXMJAEENE-UHFFFAOYSA-N 273.163 3.999 30 20 CHED C#Cc1ccc([C@H](OC(=O)/C(C)=C\C)C(F)(F)F)cc1 836081913 ZOCHJYQDVPLZEP-FSIMMPEJSA-N 282.261 3.781 30 20 CHED COCC1CCC(=NN[C@H](C)c2ccccc2)CC1 834943705 FIVHMFZWQPDKFJ-KWCCSABGSA-N 260.381 3.530 30 20 CHED C=CC[C@H](C)C(C)=NNc1ccc(C(=O)O)c(F)c1 835009860 FZRDBSRDMSXPMJ-VIFPVBQESA-N 264.300 3.524 30 20 CHED C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C)C1 661379361 XHBCPIQZVRISOZ-HZPDHXFCSA-N 286.419 3.610 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2c(C)cc(C)nc2C)C1 667118937 CHQCCPWTQZAIKD-HNNXBMFYSA-N 287.407 3.827 30 20 CHED C=CCCCCN(CC)Cc1ccc(C(=O)N(C)C)cc1 583184397 AQCJGERUOPPDAZ-UHFFFAOYSA-N 288.435 3.567 30 20 CHED Cc1nc(/C=C2\C[C@H](C)c3ccccc3C2=O)[nH]c1C 901486309 ARSRTGWKSVILOM-YWEFTTLKSA-N 266.344 3.800 30 20 CHED CC(C)(C)c1csc(NC(=O)c2ccsc2C#N)n1 906376952 SNZBURFLTWAFPG-UHFFFAOYSA-N 291.401 3.626 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1nccc2ccccc12 903034710 BJFNZFAIQVSBMJ-CYBMUJFWSA-N 265.360 3.579 30 20 CHED C=CCC(F)(F)C(=O)OC[C@H]1CCCCC1(F)F 835632741 HPYDFPCLJLHSSQ-SECBINFHSA-N 268.250 3.567 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CCC[C@H](O)C1 737792674 QMINQRSXVJHSSP-DDKJEQMHSA-N 281.440 3.667 30 20 CHED C=CCCNC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 661571262 RTZWIPJSKBCOOZ-UHFFFAOYSA-N 290.794 3.715 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1ccc(F)cc1Cl 835143889 JBTFLEHJVNXPNM-BHYNMZESSA-N 298.741 3.674 30 20 CHED C#Cc1cccc(CN[C@H](C)c2cccc(OCC)c2)c1 834903807 SJQUHOWLZQFCLS-OAHLLOKOSA-N 279.383 3.917 30 20 CHED C=CCN(C(=O)c1ccc2nc(C(F)F)[nH]c2c1)C(C)C 730168647 MXOAWCFHJVDFSD-UHFFFAOYSA-N 293.317 3.537 30 20 CHED Cc1cncc(C(=O)/C=C\c2cccc(Cl)c2)c1 588476543 JRSPEVSBLWXZKV-WAYWQWQTSA-N 257.720 3.940 30 20 CHED C=CCN(CCc1ccccc1)CC1(SC)CC1 589159519 XVJNJAPUEMWLQS-UHFFFAOYSA-N 261.434 3.613 30 20 CHED Cc1nc2ccccc2cc1C(=O)OCC1(C#N)CCCC1 835282967 NXRQECLDCVVCOI-UHFFFAOYSA-N 294.354 3.784 30 20 CHED C#CCCCCNC(=O)Nc1ccc(CSCC)cc1 836743420 DOKDOEOHISXDMH-UHFFFAOYSA-N 290.432 3.865 30 20 CHED C=CCOC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 738742980 NQDPUNCQFLADLB-JTQLQIEISA-N 272.266 3.928 30 20 CHED CCCCNN=C(C)c1nc2ccccc2n1C(F)F 915966181 NGGWNVDMLVBWQP-UHFFFAOYSA-N 280.322 3.545 30 20 CHED c1cnc(C2CCC2)c(NN=C2CCCC23CCC3)n1 834979947 PRUMQFCXNXKOSY-UHFFFAOYSA-N 270.380 3.866 30 20 CHED Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H](C#N)C1)C(C)C 918143684 CXNDXPPALBPNMJ-RDJZCZTQSA-N 299.418 3.637 30 20 CHED CCCCCCCCCNC(=O)N[C@H](C)c1ccn(C)n1 837388518 VBLIHNISCNOEIO-CQSZACIVSA-N 294.443 3.531 30 20 CHED Cc1cc(Cl)cc(C=NN[C@@H](C)C(F)(F)F)c1 834998758 LPYTTWLUTXQBMD-QMMMGPOBSA-N 264.678 3.523 30 20 CHED CCC1(NC(=O)c2cc3ccccc3n2CC#N)CCCC1 590776611 XEUJJBKHINXKPQ-UHFFFAOYSA-N 295.386 3.617 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](CC#N)C1 595488586 HRPCUINAHRSOQC-XHSDSOJGSA-N 291.439 3.681 30 20 CHED CCN(C(=O)c1csc(C2CCCCC2)n1)[C@H](C)C#N 598349524 LMKGQXXQMMCUJW-LLVKDONJSA-N 291.420 3.565 30 20 CHED C=CCN(C(=O)c1cc2ccccc2n1CC#N)C(C)(C)C 598866073 LFZUPVZFMPKTJE-UHFFFAOYSA-N 295.386 3.592 30 20 CHED C[C@@H](C#N)N(CCCc1ccc(Cl)cc1)C1CC1 595720702 LIABXZUURVFWDF-LBPRGKRZSA-N 262.784 3.649 30 20 CHED C[C@H](NC(=O)CCCCCC#N)[C@H]1CCC[C@@H](C)C1 590888724 SUGYZGIZEMGMLM-ILXRZTDVSA-N 264.413 3.791 30 20 CHED C[C@@H](C=NNc1ccc(F)cn1)CCc1ccccc1 749165397 VJRJHEFVVAQNBQ-CYBMUJFWSA-N 271.339 3.887 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)o1 745624904 ORRXOEAZTLFCHY-VOAKCMCISA-N 298.390 3.894 30 20 CHED CC(=O)c1c(F)cccc1OCCCC(C)(C)C#N 918995793 CUOZOFKQQFUVJJ-UHFFFAOYSA-N 263.312 3.737 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccc(Cl)c(F)c1F 841310420 BWLAKGDYJYUCKA-QMMMGPOBSA-N 290.693 3.505 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H]1CCCc1ccccc1 593538242 NEVSRDKHMHWQAQ-SJORKVTESA-N 284.403 3.550 30 20 CHED CCC(=NOCc1cccnc1)c1ccc(C)cc1 746588227 LYDZCHBVXKFSNQ-UHFFFAOYSA-N 254.333 3.721 30 20 CHED C=C(C)CONC(=O)Nc1ccc2oc(C)c(C)c2c1 844632085 NIKUREGXEFUFGJ-UHFFFAOYSA-N 274.320 3.679 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)Oc2ccccc21 742437436 UCYVIGWTKNHCNK-MDWZMJQESA-N 258.223 3.581 30 20 CHED C#Cc1cccc(NC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c1 916648639 ZULGECUNOTYVLS-HRCADAONSA-N 282.387 3.616 30 20 CHED C=C(C)CNC(=S)Nc1ccc2oc(C3CC3)nc2c1 914706078 LLHFUYXBMWYCJM-UHFFFAOYSA-N 287.388 3.568 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)CC1(C#N)CCCCC1 597228117 DKPBBBLOXKIBBS-ILXRZTDVSA-N 276.424 3.791 30 20 CHED C#CCCCNC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 745899631 HJVXFMGOSOOXGL-GOSISDBHSA-N 298.430 3.953 30 20 CHED C=C[C@@H](C)ONC(=O)CC1(CSc2ccccc2)CC1 846551275 ZCUOTBZWBYYXEJ-CYBMUJFWSA-N 291.416 3.571 30 20 CHED C=C(C)CNC(=N)NCc1ccc(-c2ccccc2)c(C)c1 849097870 IXTQEHXMAFPUSE-UHFFFAOYSA-N 293.414 3.852 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCc2c(F)cc(F)cc21 684766112 FZDKCDHFJOIBEF-LQAWEQHXSA-N 293.357 3.523 30 20 CHED C[C@H](C(=O)OCCCSCC#N)c1ccc(Cl)cc1 845337501 SFHPVWYNNRMDPK-NSHDSACASA-N 297.807 3.634 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 917301696 LQSCAIXPMIDSGW-ZDUSSCGKSA-N 276.376 3.871 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCc2cc(C)cc(C)c21 747309522 UDWMFDHASYLPTD-OAHLLOKOSA-N 287.403 3.564 30 20 CHED CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccsc1 749100036 YUXLBFOICLJJPX-UHFFFAOYSA-N 292.314 3.739 30 20 CHED CSC(C)(C)CN=c1c(C#N)c[nH]c2c(C)cc(C)cc12 743460695 NFMSRNLHYMTHJE-UHFFFAOYSA-N 299.443 3.699 30 20 CHED CC(C)Oc1c(F)cc(NCC2(CC#N)CC2)cc1F 849315830 IXWZPYLMGVDAGE-UHFFFAOYSA-N 280.318 3.858 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc(F)cc2F)co1 752891353 UAOSODWJGWHDOH-GQCTYLIASA-N 277.270 3.972 30 20 CHED C(=NNc1nncc2ccccc12)[C@@H]1C[C@H]1c1ccccc1 755491646 UTSAIEONBUYBJM-RDJZCZTQSA-N 288.354 3.831 30 20 CHED C=CCC1(O)CCN(C(=O)C2(CC(C)C)CCCC2)CC1 924438351 RYGQBXNKENCGDY-UHFFFAOYSA-N 293.451 3.523 30 20 CHED CCCCC1CCC(C(=O)O[C@@H](C#N)CC)CC1 753422499 VWLTUTUHUZKPSE-JXQTWKCFSA-N 251.370 3.828 30 20 CHED c1cc(-c2noc(NN=C3CCCCCCC3)n2)ccn1 750947560 AENSCFKSNUBKET-UHFFFAOYSA-N 285.351 3.644 30 20 CHED C[C@@H](CCC(=O)OCc1ccnc(C#N)c1)c1ccccc1 750097521 WLWSUMYMDKKENY-AWEZNQCLSA-N 294.354 3.580 30 20 CHED CCSc1ccc(C(C)=NOCC(F)F)cc1 758903878 KNXFFKXWMKDKEW-UHFFFAOYSA-N 259.321 3.804 30 20 CHED C(=NO[C@H]1CCCCO1)c1cccc(OC2CCCC2)c1 755818831 UOGJTPYRAVODKF-KRWDZBQOSA-N 289.375 3.885 30 20 CHED C[C@]1(COC(=O)CC2(C#N)CCCCC2)C[C@]1(F)Cl 851098350 RPTZPWBCIVLHJZ-TZMCWYRMSA-N 287.762 3.708 30 20 CHED C=CCCNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 852487099 LLBOPIZFYYBRBI-UHFFFAOYSA-N 297.402 3.633 30 20 CHED C#CCCCOc1cccnc1NC[C@@H]1CCCC1(F)F 853662857 UVMZJNFMQSKOHC-ZDUSSCGKSA-N 294.345 3.721 30 20 CHED C=CCCCCCCNC(=O)[C@H](C)c1nc(C)cs1 854452339 UIWLDSXGIMUREH-ZDUSSCGKSA-N 280.437 3.808 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H]1C1CCOCC1 858112137 GQZUJRKDECESHL-INIZCTEOSA-N 296.455 3.557 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(OC(C)(C)C)c1 934050553 UJHIBRQMTMGYKC-UHFFFAOYSA-N 276.380 3.904 30 20 CHED C#CCCCC(=O)Oc1ccc(F)c(C(F)(F)F)c1 759320662 CSUOSEOZFQDSIH-UHFFFAOYSA-N 274.213 3.553 30 20 CHED C=C(Cl)COC(=O)c1cncc(-c2ccccc2)c1 758102652 JWNBHHLMOFHKAM-UHFFFAOYSA-N 273.719 3.658 30 20 CHED Cc1ccc(N(C)C(=O)c2cc(C#N)cs2)cc1C 752296897 ZGYZFDOHGLHASW-UHFFFAOYSA-N 270.357 3.513 30 20 CHED C#CCCc1noc(C[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 762008044 XOEIQBHBCPDLDJ-OLZOCXBDSA-N 260.381 3.640 30 20 CHED C#CCCc1noc(C[C@H](c2ccccc2)C(C)C)n1 762006898 LLEROUKVYHWGHH-HNNXBMFYSA-N 268.360 3.618 30 20 CHED CCc1ccc(C(C)(C)C(=O)OCC2(C#N)CCC2)cc1 768092230 WYAPBVKYLGLTIM-UHFFFAOYSA-N 285.387 3.764 30 20 CHED CC[C@H](CC#N)OC(=O)Cc1coc2ccc(C)cc12 860694601 JHYXFWLMAVITEM-CYBMUJFWSA-N 271.316 3.519 30 20 CHED Cc1ccc(C)c(C=NNc2cc(C#N)cc(Cl)n2)c1 768381425 GQWJZTRXJHWUOI-UHFFFAOYSA-N 284.750 3.670 30 20 CHED Cn1cnc2cc(/C=C3/Cc4ccc(F)cc4C3=O)ccc21 761204147 FMYRPRQSVRYOLU-MLPAPPSSSA-N 292.313 3.535 30 20 CHED CCc1cnccc1C(C)=NNc1ccc(F)cc1 765548838 OJZVOVTULWZYSJ-UHFFFAOYSA-N 257.312 3.619 30 20 CHED C[C@H]1CCC(=NNc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1C 769821876 FGWCUAOOGHJYNZ-UWVGGRQHSA-N 279.315 3.958 30 20 CHED C=C[C@H](CC)CC(=O)N(CCC(F)(F)F)CC1CC1 934350736 JXIOVQRFLPEIQW-LLVKDONJSA-N 277.330 3.780 30 20 CHED CCOc1ccc(C=Nc2ccc(COC)cc2)c(O)c1 766283109 HQEJQQJNTYXSFL-UHFFFAOYSA-N 285.343 3.688 30 20 CHED CC[C@H]1CC[C@H](C(=O)Oc2ccc(C#N)c(OC)c2)CC1 767157246 AXPALYHPDDBZSM-JOCQHMNTSA-N 287.359 3.689 30 20 CHED C[C@@H](NN=Cc1ccsc1C(F)(F)F)C(F)(F)F 863116035 GXVPGHIOYKDKIJ-RXMQYKEDSA-N 290.232 3.641 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)OCCCC(C)(C)C#N)c1 860337854 BNKVIOVFNHUEHS-JKSUJKDBSA-N 285.387 3.972 30 20 CHED Cc1nc(Cl)cc(NN=C2CCCC(C)(C)C2)n1 767785919 SKRXHPASOOJVHH-UHFFFAOYSA-N 266.776 3.807 30 20 CHED N#CC1(COC(=O)c2occc2-c2ccccc2)CCC1 768095957 AJMSYCBBABHTKM-UHFFFAOYSA-N 281.311 3.797 30 20 CHED Cc1nc(-c2cccc(C(=O)OC3(C#N)CCC3)c2)cs1 762092259 ZKLVBJUATACYDM-UHFFFAOYSA-N 298.367 3.722 30 20 CHED CCC(=NNc1cccc(C#N)c1)c1ccc(C#N)cc1 773032493 MCAYZBCCYFHUKO-UHFFFAOYSA-N 274.327 3.656 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1Nc1cccc(CC#N)n1 1116636379 MWFMENQTUSTFDU-JSGCOSHPSA-N 257.381 3.774 30 20 CHED C#CC[C@H](NCCc1cccs1)c1ccccc1 775398692 KURKHFIZOWLINV-INIZCTEOSA-N 255.386 3.645 30 20 CHED C#CCCCCC(=O)OCCCc1cccc(C)c1 778138351 XGVHHSQLWICWIR-UHFFFAOYSA-N 258.361 3.664 30 20 CHED c1ccc(C(CC2CCC2)=NN=c2cc[nH]cc2)cc1 779809731 OPSZQQPMGGBJGA-UHFFFAOYSA-N 265.360 3.510 30 20 CHED C#CCCCCC(=O)OCc1ccccc1OC(F)F 773638282 GWLHUGGIODRXKZ-UHFFFAOYSA-N 282.286 3.525 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)c1 770565846 LINISRMNYNDAPK-VURMDHGXSA-N 265.287 3.902 30 20 CHED CCOCCON=C(C)C1(c2ccccc2)CCCC1 774423731 XSZIGSQFQBCIAY-UHFFFAOYSA-N 275.392 3.927 30 20 CHED CCC(=NNc1nc(C)cc(C)n1)c1cc(C)ccc1OC 771554590 YEYWCDSGFANCGF-UHFFFAOYSA-N 298.390 3.637 30 20 CHED Cn1ccc(/C=C2\CCCc3ccc(Cl)cc3C2=O)n1 773154119 RYNAYEGROYGJQD-FMIVXFBMSA-N 286.762 3.676 30 20 CHED N#CCC1(OC(=O)c2ccc(Cn3cccc3)cc2)CCC1 1122964794 VWLDDRXGCXJCMM-UHFFFAOYSA-N 294.354 3.530 30 20 CHED C[C@@H](CC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CC1 887704368 BUROGVDECSXZBU-AWEZNQCLSA-N 296.414 3.700 30 20 CHED COc1ccc(/C=C2/CCc3ccc(F)cc3C2=O)cc1O 776192138 IMBMLNHWRORGEA-JYRVWZFOSA-N 298.313 3.752 30 20 CHED C=CCc1cc(CN2CC[C@H](C)[C@@H]2CC)c(O)c(OC)c1 774620197 VNVJJBWPCXDQJS-BBRMVZONSA-N 289.419 3.750 30 20 CHED C[C@H](C#N)OC(=O)CCCOc1ccc(C(C)(C)C)cc1 771290433 FTEZRWKDSUPXMX-CYBMUJFWSA-N 289.375 3.598 30 20 CHED N#CC[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1 1124170939 PEFKCSOVGITUEC-OAHLLOKOSA-N 284.746 3.976 30 20 CHED CC(C)CC[C@@H]1CCCC1=NOC[C@@H]1CCOC1 788034679 UCPNDNZUHBXQCV-KGLIPLIRSA-N 253.386 3.632 30 20 CHED Cc1ccc(F)cc1[C@@H](C)OC(=O)Cc1cccc(C#N)c1 1127735697 LDRGENQRGHKGIR-CYBMUJFWSA-N 297.329 3.853 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1C1CCCC1 780391879 GIPOSZGGCSWWSA-INIZCTEOSA-N 261.409 3.751 30 20 CHED C=C(CC)COC(=O)Cc1c[nH]c2cccc(OCC)c12 782464205 QFBIMKUOUCMTSV-UHFFFAOYSA-N 287.359 3.619 30 20 CHED C=CCCC(=O)OCc1ccc(Cl)nc1C(F)(F)F 787689302 XEPMKWYBYQDIAY-UHFFFAOYSA-N 293.672 3.763 30 20 CHED C#CCCCCC(=O)Oc1ccc(OCC(C)C)cc1 789533282 ZCESDXIWHBHHDV-UHFFFAOYSA-N 274.360 3.820 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ncnc2ccsc12 783854916 AVNVNPNXAALEIK-GHMZBOCLSA-N 274.393 3.915 30 20 CHED CC1(C)CCC(=NNc2ncnc3sccc23)C1 783815199 CHFBIPDFUZVRIC-UHFFFAOYSA-N 260.366 3.669 30 20 CHED C=C(C)CCc1noc([C@H]2CC(c3ccc(C)cc3)=NO2)n1 896280912 KTZNGKFVCLLMHV-OAHLLOKOSA-N 297.358 3.752 30 20 CHED Cc1cc(/C=C\C(=O)c2ccnc(Cl)c2)cc(C)c1O 782184683 MUUVNPYWDJKPBP-ARJAWSKDSA-N 287.746 3.954 30 20 CHED CCc1cccc(Cl)c1/C=C/C(=O)c1cnn(C)c1 788733987 RONBYSCXNBZWRH-BQYQJAHWSA-N 274.751 3.532 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1Cl 271833712 XOFBJXVQTOMGGK-UHFFFAOYSA-N 289.684 3.500 30 20 CHED Cc1ccnc(N(C)[C@@H](C)C2CCCCC2)c1C#N 1472766664 XVAOPHPJHMNDMS-ZDUSSCGKSA-N 257.381 3.667 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(C)C)cc2)n(C)n1 789158557 FXIGEEXJLYVFBQ-JXMROGBWSA-N 268.360 3.748 30 20 CHED C#Cc1ccc(NCc2ccc3c(c2)COC(C)(C)O3)cc1 898498676 LBZDLLNXMNAVQI-UHFFFAOYSA-N 293.366 3.925 30 20 CHED C=C1CC(c2noc([C@@H](c3cccnc3)C(C)C)n2)C1 896878182 VSAYCVPBKOILDC-CQSZACIVSA-N 269.348 3.686 30 20 CHED CCOC1CC(CCNc2nc3ccccc3cc2C#N)C1 788861859 REFLCFIAYKATAM-UHFFFAOYSA-N 295.386 3.724 30 20 CHED Cc1cccc(/C=C\C(=O)c2cncs2)c1OC(F)F 787173177 XXPVRZQUPXHYEH-WAYWQWQTSA-N 295.310 3.949 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@@H]2C[C@]2(CO)C1 783818470 IKGPQEPPASGKPR-XYJFISCASA-N 295.467 3.604 30 20 CHED CC(C)=CCC[C@@H](C)CC=NOC[C@@H]1CCOC1 788036752 MNZCDEKLCGUMTL-HUUCEWRRSA-N 253.386 3.798 30 20 CHED C=CCC[C@H](C)Nc1ccc(Cc2nc(C)no2)cc1 897117976 CUXZNLWFOJHLAG-LBPRGKRZSA-N 271.364 3.735 30 20 CHED CC1(C(=O)Nc2cccc(C#N)c2)CCCCCC1 510201123 VRGWXJILVKQKNB-UHFFFAOYSA-N 256.349 3.857 30 20 CHED CCc1cccc2c1OC/C(=C\c1scnc1C)C2=O 794726829 FMXOWLJYZBXEMO-KPKJPENVSA-N 285.368 3.673 30 20 CHED C#C[C@H](CCC)NC(=O)c1cncc(-c2ccc(C)cc2)c1 791202225 HKXHVSLFHUSWLL-GOSISDBHSA-N 292.382 3.589 30 20 CHED C=CCOC(=O)COc1ccc(Cl)c2ccccc12 791509209 UMBZOSBGPJRSSV-UHFFFAOYSA-N 276.719 3.601 30 20 CHED CCC(=NOCCSC)c1ccc(OC(F)F)cc1 794571665 FFDITGITAJTEQJ-UHFFFAOYSA-N 289.347 3.782 30 20 CHED N#Cc1ccc(Oc2cccc3sccc23)nc1 705105754 NHSKRIOVXZCRSK-UHFFFAOYSA-N 252.298 3.960 30 20 CHED CCCCCCC[C@H](C)NCc1cc(C)nn1C 688932945 KHRKKODNFKDYEY-ZDUSSCGKSA-N 251.418 3.567 30 20 CHED CCCCCCCCNC(=O)c1cc(C2CC2)no1 799354649 KBCQKDFMXNJFTH-UHFFFAOYSA-N 264.369 3.642 30 20 CHED C#C[C@@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc12)C(C)C 799044998 QEQDYUQNLMOCKP-CYBMUJFWSA-N 288.778 3.517 30 20 CHED Cc1ccc(C(=O)OCc2ccc(Cl)s2)cc1C#N 799549661 VHLUUSKVBCLRAW-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CC[C@@H](C)CC(=O)OCc1ccccc1C(C)(C)C#N 791500475 VNWKBEJXMFIWRJ-CYBMUJFWSA-N 273.376 3.967 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C(\C)C1CC1 791865014 OZEWLNMYWBGBCJ-RVDMUPIBSA-N 269.388 3.948 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N(CC)C(C)C 162566779 KLWOJOVARHGGAF-UHFFFAOYSA-N 287.407 3.621 30 20 CHED N#Cc1ccc(NCc2ccccc2Cl)cc1[N+](=O)[O-] 94591541 QMCMBYKCDSJEPU-UHFFFAOYSA-N 287.706 3.732 30 20 CHED N#Cc1cccc(C#N)c1Sc1nc2ncccc2s1 1163891925 SECHGDMTLFHMIM-UHFFFAOYSA-N 294.364 3.586 30 20 CHED CCCc1ccccc1Nc1cc(C)c(C#N)cn1 1162055384 GJYAFRHFSSRQAX-UHFFFAOYSA-N 251.333 3.958 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 1318556948 ZIEJIRMVXWOSJA-CYBMUJFWSA-N 298.390 3.575 30 20 CHED N#CCOc1ccc(N[C@@H]2CCC[C@H]2CCCF)cc1 1321269327 TUUSJCDBTQQQPI-XJKSGUPXSA-N 276.355 3.919 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(OC(C)C)c(Cl)c1 1321758968 RQADBXIDTVXPDA-TZMCWYRMSA-N 297.826 3.979 30 20 CHED C=CC[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)OCC 1324625394 NMAZLUNUOARGDR-INIZCTEOSA-N 299.370 3.544 30 20 CHED Cc1cc(Br)cc(C=NOC(C)(C)C)c1O 1324924630 BHHVQPSUCCSHRX-UHFFFAOYSA-N 286.169 3.612 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC(CC(C)C)CC1 1327113691 OVTLNNYJLCPMBC-UHFFFAOYSA-N 284.403 3.765 30 20 CHED O=C(C#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 1857791585 ALCKMHDMDNUPFY-UHFFFAOYSA-N 274.241 3.940 30 20 CHED Cc1cc(C)c(C#N)c(NCc2cccc(Cl)c2F)n1 1339514288 YXYDUUZDPZPQAS-UHFFFAOYSA-N 289.741 3.975 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(F)c3cccnc23)C1 1339066536 XPMYTMDYYSMWIL-ZDUSSCGKSA-N 298.361 3.802 30 20 CHED CCC1(CC)CCCN(C(=O)c2csc(C#N)c2)C1 1331266361 WWZRWSQSQVSIDW-UHFFFAOYSA-N 276.405 3.662 30 20 CHED C=C(Cl)CN[C@H](C)c1nc(C(C)(C)C)cs1 1332783229 RENGIANTTRFESJ-SECBINFHSA-N 258.818 3.844 30 20 CHED CC[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2cccc(F)n2)CC1 1342675779 RGQCFNAYVZHQND-AVGNSLFASA-N 274.339 3.613 30 20 CHED CCC1(CNC(=O)c2csc(C#N)c2)CCCCC1 1267715153 CJPSTPVVOAFPEA-UHFFFAOYSA-N 276.405 3.710 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)CC#Cc1ccccc1)CC2 1261503424 ZJUORZIMOJUWIK-IBGZPJMESA-N 289.378 3.540 30 20 CHED C=C(CC(C)C)C(=O)Nc1c(-c2ccccc2)n[nH]c1C 1346579947 KQPTVPZSVGXKQC-UHFFFAOYSA-N 283.375 3.926 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C)nc1C 1347682140 PMMOHFPKEXEQEM-CQSZACIVSA-N 273.380 3.661 30 20 CHED Cc1cc(C#N)nc(NC[C@H](c2cccnc2)C(C)C)c1 1355244190 OFDOKPCZOYVBEC-INIZCTEOSA-N 280.375 3.508 30 20 CHED CCSCC[C@H](C)N[C@H](C)c1cccc(C#N)c1 164593880 DHYFDXBNITXGMJ-QWHCGFSZSA-N 262.422 3.741 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)c1cccc(C)c1C 1355497397 JGXWUYQSIMAORV-UHFFFAOYSA-N 278.355 3.760 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](c2ccccc2C)C1 1354475750 URPOGQTYXHQIIA-OAHLLOKOSA-N 257.377 3.667 30 20 CHED C[C@H](C#N)N(C)C(=O)c1cc2cccc(Cl)c2s1 1436530970 WXCAIXFURSKTFU-MRVPVSSYSA-N 278.764 3.539 30 20 CHED Cc1c(F)cccc1NC(=O)c1cc(F)c(C#N)c(F)c1 1444727114 RAUASPZEOBSAJO-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC[C@H](Nc1nc(C)c(C#N)cc1Cl)c1ccccn1 1516005341 HVDSWSIODXRPAA-ZDUSSCGKSA-N 286.766 3.873 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2cc(C#N)c3ccccc3n2)CC1 1525443511 SGMXZLRTXDVLSZ-JOCQHMNTSA-N 293.370 3.871 30 20 CHED N#Cc1cc(F)c(NCCc2cccc(F)c2)c(F)c1 110316083 FRXXJPMENYHVMO-UHFFFAOYSA-N 276.261 3.630 30 20 CHED CC1(C)CCC[C@@H](OC(=O)Cc2ccc(C#N)cc2)C1 1528164067 KVSOHXNTKKGIMQ-OAHLLOKOSA-N 271.360 3.613 30 20 CHED C=C(CC)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 1520976742 WOUQEASPLJTCQR-HNNXBMFYSA-N 270.376 3.631 30 20 CHED C[C@H](OC(=O)c1csc(C#N)c1)c1c(F)cccc1F 1538813300 DKHKWCRXTTUEPY-QMMMGPOBSA-N 293.294 3.816 30 20 CHED C=C(CC)CN[C@H](c1ccc(C(=O)O)cc1)C(F)(F)F 1602774648 UDRVQXJKVXXOAS-GFCCVEGCSA-N 287.281 3.544 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCc1ccc2ccccc2c1 1536521668 OBYVFSOSAYYWBE-GOSISDBHSA-N 294.398 3.923 30 20 CHED C=C(CC)C(=O)N1CCCc2[nH]c3ccc(F)cc3c2C1 1548698762 YLWHDNHCNSSSSU-UHFFFAOYSA-N 286.350 3.548 30 20 CHED Cc1cc(Cl)ccc1/C=C/C(=O)c1cc(C(=O)O)co1 1610464892 DKGHTGRLKMBQSO-HWKANZROSA-N 290.702 3.836 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CN=c1cc[nH]c(C#N)c1 1559089419 LREQVKVVOKMNDV-BBRMVZONSA-N 271.408 3.640 30 20 CHED Cc1ccc2sc(Sc3nc(C)cc(C#N)n3)nc2c1 1559284431 BPFHYSARKAPKMZ-UHFFFAOYSA-N 298.396 3.726 30 20 CHED CCC[C@H](Nc1ncc(C#N)cc1F)C1CCCC1 1559209461 BKEDRQHMFBSVJP-AWEZNQCLSA-N 261.344 3.863 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2c(C)cccc2C)n1 1643243705 LLSQGKJJBMDPEZ-UHFFFAOYSA-N 265.360 3.515 30 20 CHED Cc1c(Cl)cnc(N2C[C@H](C)CCC[C@@H]2C)c1C#N 1642281850 GEHWHSYDWXYGIU-MNOVXSKESA-N 277.799 3.930 30 20 CHED C[C@H]1C[C@H](N2CCC[C@@H](C#N)C2)c2ccsc2S1 1659993021 NVHZQNVKMCKGNI-GVXVVHGQSA-N 278.446 3.909 30 20 CHED C=CC[C@@H](S[C@H](C)c1cccc(OC)c1)C(=O)O 1588758290 FHMCGLZDFKEPMA-ZWNOBZJWSA-N 266.362 3.519 30 20 CHED Cc1cccc([C@H](C)NC(=O)Nc2ccc(F)cc2C#N)c1 1659657781 WAHFRMALPQVONP-LBPRGKRZSA-N 297.333 3.889 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]1c1ccccc1F 1651133289 JNHGRXWOSYCFIN-GOEBONIOSA-N 277.302 3.537 30 20 CHED C=C[C@H](N[C@@](C)(Cc1ccc(Cl)cc1)C(C)C)C(=O)O 1588693237 UNHDSCJIRFZWKZ-HOCLYGCPSA-N 295.810 3.526 30 20 CHED Cc1[nH]nc(NCc2ccc(Cl)cc2Cl)c1C#N 1651183787 GYWKZOFRDHBXTB-UHFFFAOYSA-N 281.146 3.509 30 20 CHED CC[C@@H]1c2ccccc2CN1c1c(C#N)cccc1C#N 1655932420 MVCNCSIDWQAYHE-QGZVFWFLSA-N 273.339 3.901 30 20 CHED N#Cc1ccc(CNc2cccc(-c3ccon3)c2)cc1 1651609563 BCTFKBGTXSLRQB-UHFFFAOYSA-N 275.311 3.825 30 20 CHED C=C(CNC(=O)N[C@@H](C)C[C@@H](C)CC)c1ccccc1 1669519102 VWBUGFPDYRVQBG-ZFWWWQNUSA-N 274.408 3.824 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cc(C(=O)O)c(C)o2)c1 1776133633 GGRRKIPDAHUQFJ-SREVYHEPSA-N 284.311 3.799 30 20 CHED C=CCN(CCCCCCCOC(C)(C)C)CCC(=O)O 1776178919 YMKUMMFXLMMTSH-UHFFFAOYSA-N 299.455 3.715 30 20 CHED CC(=NNc1ccccc1)c1ccc(C(=O)O)cc1C 1776032597 CCKHCRZPGLZYCI-UHFFFAOYSA-N 268.316 3.529 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1ccccc1C(=O)O 1776030475 DCVSQBRZDLILGQ-UHFFFAOYSA-N 298.367 3.615 30 20 CHED N#Cc1ccccc1OCc1c(F)cccc1Cl 11994403 RLAHNQOJJVMLKF-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc3c(c2)CCO3)c1 14202566 IQZFDOXBSYPCFS-FNORWQNLSA-N 264.324 3.826 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccccc1CC 150820614 ZIYYXXCUBUNVMS-UHFFFAOYSA-N 257.377 3.634 30 20 CHED CC(C)(C(=O)N[C@@H](C#N)c1ccccc1F)C1CCCC1 161318021 HJYMHPSIVAXSSB-HNNXBMFYSA-N 288.366 3.723 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)[nH]1)[C@@H](C)CCC 161544310 JLCUYKIDLAVVAB-ZDUSSCGKSA-N 275.396 3.707 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCCCOC)cc1 158323219 JCMRLIHWWVVUHQ-CQSZACIVSA-N 297.826 3.895 30 20 CHED C=CCC[C@@H](NC(=O)N(C)CCSC)c1ccccc1 160520227 ZAKPYLTVAAFJRZ-OAHLLOKOSA-N 292.448 3.698 30 20 CHED C=C(Cl)CNCc1ccc(Br)cc1C 166097782 RGSWVNBROHTNDW-UHFFFAOYSA-N 274.589 3.600 30 20 CHED C[C@@H]1CSC(SCCCOc2cccc(C#N)c2)=N1 155671728 NDUWAAPEOQBKJN-LLVKDONJSA-N 292.429 3.552 30 20 CHED C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C#N)C(C)(C)C 155280850 ICKGHAORYCOPCC-BXUZGUMPSA-N 292.810 3.573 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1C[C@H]2CCC[C@H]2C1 125186165 CXSPOIPEOGYHOV-PHIMTYICSA-N 280.293 3.813 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H]2CCCC[C@H]2C1 1141166547 VEEJDNHTDBOFHP-KGLIPLIRSA-N 272.367 3.709 30 20 CHED COc1cccc(NCc2cc(C#N)cs2)c1C 1179153079 HOPVWMMWOYKQDV-UHFFFAOYSA-N 258.346 3.549 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1C#N 150693359 JMBQEAOAUSMUEW-UHFFFAOYSA-N 288.709 3.912 30 20 CHED COc1ccc(CNc2nc(C)ccc2C#N)cc1Cl 161908687 OVPIBWOEGFXBDM-UHFFFAOYSA-N 287.750 3.536 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 37748276 SUVKDOWAXHLVOR-QGZVFWFLSA-N 268.335 3.938 30 20 CHED Cc1cc(C#N)ccc1CN(CCC(C)C)C1CC1 165465176 GWJHQOJVWHGXDX-UHFFFAOYSA-N 256.393 3.877 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C)c(C)s2)c1 308182412 DHYZCIOAGYIPOQ-UHFFFAOYSA-N 270.357 3.797 30 20 CHED Cc1nc(NCCc2ccccc2)c(Cl)cc1C#N 311727359 QKNHJISYDVEGKW-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(-n2ccnc2)cc1 343502886 KYFLZDHVTUBOQX-GOEBONIOSA-N 269.392 3.878 30 20 CHED Cc1nc(N2CCC[C@H]2C2CCC2)c(Cl)cc1C#N 359875740 KUQUBEFPMVFWAQ-AWEZNQCLSA-N 275.783 3.684 30 20 CHED C=CC[C@@H](CC)NCc1cc(Br)ccc1OC 393790982 DYNFDJIJGYYZOB-CYBMUJFWSA-N 298.224 3.902 30 20 CHED Cc1ccccc1N(C)Cc1ccc(CC#N)cc1 399010009 WYFBBUOYQZJEHV-UHFFFAOYSA-N 250.345 3.698 30 20 CHED Oc1c(F)cc(Cl)cc1C=NOCc1ccccc1 768354351 ICMGQKVLGZUABY-UHFFFAOYSA-N 279.698 3.735 30 20 CHED C=C(Cl)CN[C@H](COCc1ccccc1)C(C)C 783253238 ZTXSATNJXIBQNM-OAHLLOKOSA-N 267.800 3.570 30 20 CHED C=CCCS(=O)(=O)Nc1ccccc1SC(C)C 120303498 PXHCVKMDRUPRRU-UHFFFAOYSA-N 285.434 3.505 30 20 CHED N#Cc1ccc(OCc2cccnc2Cl)c(Cl)c1 310895281 LRAATKUCRZOLHF-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CCOc1ccccc1CN(C)Cc1ccccc1C#N 52164069 KWIQOWHZLZFEQS-UHFFFAOYSA-N 280.371 3.589 30 20 CHED C=CCCOC(=O)CCc1nc(C)c(-c2ccccc2)o1 106986368 UEDAPMGXCGGPGQ-UHFFFAOYSA-N 285.343 3.702 30 20 CHED N#Cc1ccc(NC(=O)/C=C/c2ccsc2)cc1Cl 22423148 KPJVFZGYFQJGQU-DAFODLJHSA-N 288.759 3.925 30 20 CHED Cc1cccc(C2(CNC(=O)C(C)(C)C#N)CCCCC2)c1 55411559 CEABJEJYOUORGJ-UHFFFAOYSA-N 298.430 3.863 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1cnc(C)s1 1341165878 KXMURVKQIHNEPQ-WCQYABFASA-N 293.436 3.653 30 20 CHED CCC(CC)c1cc(CNCc2ccc(C#N)cc2)on1 174547363 YMYVOLFNKGSYIR-UHFFFAOYSA-N 283.375 3.740 30 20 CHED C[C@@H](NC[C@H]1CCOc2ccccc21)c1ccc(C#N)cc1 174072339 CARNWIFEDWMJSC-RHSMWYFYSA-N 292.382 3.775 30 20 CHED CCc1cccc(Nc2nc(Cl)c(C#N)s2)c1 310321762 YYZBBEGHROWPNO-UHFFFAOYSA-N 263.753 3.974 30 20 CHED C=C(Cl)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 23875909 ACEHRVHQXKFQJB-UHFFFAOYSA-N 286.187 3.970 30 20 CHED C[C@@H](Cc1ccccc1F)NCc1ccc(C#N)cc1F 178784201 ZLKMLHFSYAJTOF-LBPRGKRZSA-N 286.325 3.557 30 20 CHED C=CCNC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C 113574573 BXASAVGADMKINL-CQSZACIVSA-N 280.799 3.865 30 20 CHED C#Cc1cccc(NCc2ccc(OCC)c(OC)c2)c1 20085192 FDQUETVKFNBLST-UHFFFAOYSA-N 281.355 3.687 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C)[C@H]1C)c1ccccc1 119968841 UDTWBYCMVZSKGE-RBSFLKMASA-N 257.377 3.603 30 20 CHED CC(C)c1cccc(N/C(N)=N/C[C@@]2(C)CCCS2)c1 305089368 ZTYSIVUEQHVWEA-MRXNPFEDSA-N 291.464 3.822 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(OC)c(Br)c1 119309655 SHPLKLOSZRPFGQ-ZJUUUORDSA-N 284.197 3.683 30 20 CHED C=CCCCS[C@H](C)C(=O)N(C)Cc1cccc(F)c1 177851941 WMYUSSXGGDBIMF-CYBMUJFWSA-N 295.423 3.872 30 20 CHED Cc1sc(NC(=O)[C@@H](C)OCCC(C)C)c(C#N)c1C 68752987 OTJPTIBFPBOCKP-LLVKDONJSA-N 294.420 3.626 30 20 CHED C[C@H](CC#N)NCc1ccccc1Oc1ccccc1 68615192 REJMIDJPHQPFLZ-CQSZACIVSA-N 266.344 3.871 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2ncccc2C#N)c1 301418179 BFPXZQQDOGHRNO-AWEZNQCLSA-N 265.360 3.613 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)c(F)c1 120725578 UILBKBMYZOZHIR-QHHAFSJGSA-N 290.265 3.575 30 20 CHED CC[C@]1(C)CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1 302615695 CIKBPOIFPWTRMS-CQSZACIVSA-N 298.308 3.582 30 20 CHED C[C@H](CNc1ccc(C#N)cc1F)Oc1ccc(F)cc1 301473348 QVZASCVWMCAARX-LLVKDONJSA-N 288.297 3.716 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(Oc2ccccc2)o1 180429592 JPDNBTMFNCUQAW-ZDUSSCGKSA-N 270.332 3.806 30 20 CHED Cc1ccc2oc(C(=O)N[C@@H](C#N)C3CCCCC3)cc2c1 120140546 OQEACVIAOUCLDN-HNNXBMFYSA-N 296.370 3.944 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](C)CC 188178560 FWZZXIWOZYQWPE-AWEZNQCLSA-N 272.392 3.733 30 20 CHED CCc1cnc(CN(C)[C@@H](C)c2cccc(C#N)c2)s1 187708017 NWVBDDCXBQJQAT-LBPRGKRZSA-N 285.416 3.770 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H](C)c1ccccc1 124019192 KSEWGHOUPHTSDN-OAHLLOKOSA-N 295.382 3.671 30 20 CHED Cc1cc2occ(C(=O)[C@@H](C#N)c3ccccn3)c2cc1C 187475295 KKQPVTPUMHFCRR-AWEZNQCLSA-N 290.322 3.935 30 20 CHED N#Cc1ccc(OC(=O)CCCc2cccs2)cc1 122186438 UDHDTVBVMDMISS-UHFFFAOYSA-N 271.341 3.548 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)CCCC2 189584803 YFLDDGJASQGABR-AWEZNQCLSA-N 293.414 3.626 30 20 CHED CCC(CC)n1ccc(COc2cc(F)cc(C#N)c2)n1 313857378 VADBUXHQPFIQHV-UHFFFAOYSA-N 287.338 3.834 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 73851043 CZZCSESERCIPRA-ZYHUDNBSSA-N 288.416 3.873 30 20 CHED CCOc1ccccc1OCCNc1cccc(CC#N)c1 313413618 WGALSVPIXHQCLX-UHFFFAOYSA-N 296.370 3.642 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCC[C@H]1OC(F)F 503921721 XIDAQNIHLCJZLV-YNEHKIRRSA-N 261.356 3.871 30 20 CHED CCc1nocc1CN(C)CCC1(C#N)CCCCC1 411772303 TUWKLIRLBNOKBF-UHFFFAOYSA-N 275.396 3.533 30 20 CHED C=CCOc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)cc1 411085386 KRKDITFUTADNAT-ZDUSSCGKSA-N 273.376 3.655 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCc2ccccc2N1 78495594 ILBTUODIGXUKIV-ZDUSSCGKSA-N 281.334 3.536 30 20 CHED N#Cc1cccnc1N1CCC(Cc2cccc(F)c2)CC1 76841270 WSUVKOPQBCNRFU-UHFFFAOYSA-N 295.361 3.551 30 20 CHED Cc1nnc(N[C@@H]2CCC[C@H](C(C)C)C2)c(C#N)c1C 505576810 LRDPFXFIGLYGBK-UONOGXRCSA-N 272.396 3.592 30 20 CHED C=CCC[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C1CC1 182820153 KXHJUJUTDZXDLJ-RISCZKNCSA-N 286.375 3.563 30 20 CHED N#CCCOCCN1CCc2ccccc2-c2ccccc21 411998079 KXZGWTFOCSSNAT-UHFFFAOYSA-N 292.382 3.646 30 20 CHED Cc1csc2ncnc(NCCc3cccc(C#N)c3)c12 505720565 PVXKRUCMPVOXRI-UHFFFAOYSA-N 294.383 3.526 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)Cc1cccs1 180468286 CEYIXFRMTXPZFW-OLZOCXBDSA-N 280.437 3.723 30 20 CHED C=C[C@H](C)Nc1nn2cc(-c3ccc(F)cc3)nc2s1 129291020 DOVUWZUOVYVRND-VIFPVBQESA-N 288.351 3.583 30 20 CHED O=C(O)c1cccc(/C=C2/CCc3sccc3C2=O)c1 126421416 LROBWABLLPMSTR-FLIBITNWSA-N 284.336 3.659 30 20 CHED C=CCC1(C(=O)Nc2cc(CC)ccc2O)CCC1 189809405 AVRJLJKJWBNCBJ-UHFFFAOYSA-N 259.349 3.640 30 20 CHED COc1cc(C)c(NC(=O)Nc2cccc(C#N)c2)cc1F 185546097 SAOMWAQWAVKLGY-UHFFFAOYSA-N 299.305 3.658 30 20 CHED C[C@@H]1C[C@]1(NCc1ccc(C#N)o1)c1ccc(Cl)cc1 500414206 GIOLKVRQXDAUAO-BDJLRTHQSA-N 286.762 3.830 30 20 CHED Cn1nccc1/C=C/C(=O)c1ccc(-c2ccccc2)o1 123392120 DHVBDMGPOVTCGD-BQYQJAHWSA-N 278.311 3.576 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Sc1ccc(OC)cc1 410130927 ACZGINVGWSYJHI-CHWSQXEVSA-N 293.432 3.647 30 20 CHED C=C(C)[C@@H](NC(=O)N[C@@H](C)C1CC1)c1ccc(F)c(F)c1 187059783 BBKBUFAXACFZOX-ZUZCIYMTSA-N 294.345 3.680 30 20 CHED CCOc1ccc(OCC)c(N[C@H]2CCC[C@H](C#N)C2)c1 185736136 VSQZZKLARHZRMB-KBPBESRZSA-N 288.391 3.978 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc(F)cc1 182548507 DCLWJVCDHHGMPF-LBPRGKRZSA-N 270.307 3.729 30 20 CHED COc1ccc(COc2ccc(C#N)cc2C)cc1F 522994558 WWKHVMLWISIDQF-UHFFFAOYSA-N 271.291 3.593 30 20 CHED Cc1ccc(CC(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 41543772 NXQKIFYCBSYVBP-CQSZACIVSA-N 290.322 3.555 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(-c2ccc(F)cc2)on1 410122164 YJWVAZTYVXQQKE-CYBMUJFWSA-N 288.322 3.565 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cc(F)ccc1F 180711358 ITOGMWRLHMUTQE-NSHDSACASA-N 282.334 3.509 30 20 CHED CC(C)(C#N)CCCN1CCSC(C)(C)CC1 228089398 KASBARQAZQHSOD-UHFFFAOYSA-N 254.443 3.534 30 20 CHED C=CCn1c(CCCC)nnc1N1CC[C@@H](C(C)(C)C)C1 508861610 BBPTZPQUGHEEDX-CQSZACIVSA-N 290.455 3.679 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(OC)cc1Br 132830260 VXAWTVRTZMWKDB-ZJUUUORDSA-N 284.197 3.683 30 20 CHED C=C(Cl)COc1ccc(F)c(Br)c1 137571104 XYCXTFUCQWXKCA-UHFFFAOYSA-N 265.509 3.720 30 20 CHED N#CCCN(Cc1ccccc1C1CC1)CC1CC1 611268704 GBMDEKZLHCSYOF-UHFFFAOYSA-N 254.377 3.690 30 20 CHED C=CCC[C@H](NC(=O)CCc1ccccn1)c1ccccc1 133908246 VHKARCIKVONEOU-SFHVURJKSA-N 294.398 3.838 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2c[nH]c3ccccc23)cc1 221726348 LASJQORRWMTBCQ-YFHOEESVSA-N 291.306 3.762 30 20 CHED CCOc1ccc(CN(C)Cc2ccccc2C#N)cc1 42976828 FRUVYPKRRUPXDF-UHFFFAOYSA-N 280.371 3.589 30 20 CHED CC(C)[C@@H](CC(F)(F)F)Nc1ncc2c(c1C#N)CCC2 425250040 CHHKYJBDDFHOPI-CYBMUJFWSA-N 297.324 3.831 30 20 CHED C=CCC[C@@H](CC)NCCc1nc2c(F)cccc2n1C 89674289 LXXTVXBYNWUIRR-CYBMUJFWSA-N 289.398 3.589 30 20 CHED C=C(C)CN(C)Cc1cc(Br)cs1 47751512 PBLOHDDJHMPEQP-UHFFFAOYSA-N 260.200 3.519 30 20 CHED C=CCCCN(C)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F 135077217 YCOQFSZYRFWEFC-NWDGAFQWSA-N 277.330 3.780 30 20 CHED CC(C)[C@@H](CNCc1ccc(C#N)c(F)c1)c1cccnc1 421362169 ILBXNBJFFFYTRR-QGZVFWFLSA-N 297.377 3.622 30 20 CHED CC1(C)CCC[C@H](C(=O)NCC#Cc2cccc(F)c2)C1 513202400 QYUJLEJYFIRSGD-HNNXBMFYSA-N 287.378 3.510 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cscc1C 334552317 QYMMPQNBUZCEQF-LLVKDONJSA-N 250.367 3.629 30 20 CHED C=CC[C@H](CC)NC[C@@H](O)COc1cccc2ccccc12 516277777 HUTNGPAMEGLLNH-DLBZAZTESA-N 299.414 3.524 30 20 CHED C=C[C@H](C)NC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 512368916 RMJJHZVIUTYMKO-ZDUSSCGKSA-N 286.419 3.626 30 20 CHED Cc1cc(/C(O)=N/CCC(C)(C)C)c2n[nH]cc2c1 330424274 FKRNHVHRPQFWOY-UHFFFAOYSA-N 259.353 3.612 30 20 CHED C[C@H]1CCN(C(=O)Nc2cccc(CC#N)c2)C[C@H](C)C1 334981732 IEJXJKKFKLMWCY-UONOGXRCSA-N 285.391 3.653 30 20 CHED CC[C@H](C)CNC(=O)c1cn(CCCC#N)c2ccccc12 421905881 ALUGZQTWADIPCS-AWEZNQCLSA-N 297.402 3.721 30 20 CHED C=C(CNC(=O)[C@@H]1CCCC[C@H]1C)c1ccccc1 424844818 HPBYPQMOOJIUJN-CZUORRHYSA-N 257.377 3.642 30 20 CHED CN(C(=O)c1sccc1C1CC1)c1ccc(C#N)cc1 336502092 QZRDKDDGUBOEEX-UHFFFAOYSA-N 282.368 3.774 30 20 CHED CC1(C/N=C(/O)c2ccc(F)c(C#N)c2)CCCC1 330521370 OFZCWUJXQOMCLC-UHFFFAOYSA-N 260.312 3.582 30 20 CHED CSc1ccc(C)c(N/C(O)=N/C[C@@]2(C)CCCO2)c1 330699121 XMKKYDIEWUNWHL-OAHLLOKOSA-N 294.420 3.612 30 20 CHED C=CC[C@H](NCc1cccc(-c2ccc(C)cc2)c1)C(=O)O 426820554 LOYZUTTVCBJREI-SFHVURJKSA-N 295.382 3.781 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC2(CCOCC2)[C@H]1C 334582005 LTOUGGFBXIUWJM-HUUCEWRRSA-N 284.403 3.510 30 20 CHED C=CC1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 93359319 VWJPMCFXSOOQPI-UHFFFAOYSA-N 295.386 3.667 30 20 CHED C[C@H]1CCC[C@@H](NC2CCN(c3ccc(C#N)cc3)CC2)C1 513702197 FUYLZBFGDVTHEQ-MAUKXSAKSA-N 297.446 3.695 30 20 CHED C=C(C)CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 428126112 AHDJFSCXBCEIOB-LBPRGKRZSA-N 282.387 3.599 30 20 CHED C=CCC1(CN[C@H](Cc2ccccc2)[C@H](C)N)CCCC1 423162561 PWPSHCLPCAYQJD-FUHWJXTLSA-N 286.463 3.671 30 20 CHED N#Cc1ccccc1C[S@@](=O)CCCCc1ccccc1 339152174 QYKHPQJWWNUVAN-NRFANRHFSA-N 297.423 3.830 30 20 CHED CCOc1ccc(N/C(O)=N/C2(C)CCCC2)cc1 330437579 NFSWDCZRFQYOCJ-UHFFFAOYSA-N 262.353 3.744 30 20 CHED C=CCC[C@H](NCC1(N(C)C)CCCCC1)C1CC1 439092983 PWCHHNOYXYFNFK-INIZCTEOSA-N 264.457 3.585 30 20 CHED Cc1cccc([C@H](C)CNc2ccc(C#N)cc2[N+](=O)[O-])c1 525461622 BOEUTHHKKYBSRK-CYBMUJFWSA-N 295.342 3.991 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)oc2C)ccc1C1CC1 436118019 KXPQJAUIMUZGFI-UHFFFAOYSA-N 280.327 3.898 30 20 CHED C=CC[C@H]1N(C(=O)Cc2ccc(C)nc2)CCCC1(C)C 347480111 HLAMFRUSFSPMRE-MRXNPFEDSA-N 286.419 3.526 30 20 CHED Cc1cc(=N[C@@H](C)c2oc3ccccc3c2C)cc(C#N)[nH]1 436685651 MBGMQZJZDKHGCY-ZDUSSCGKSA-N 291.354 3.911 30 20 CHED N#Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1F 341170741 AEPULCDGIBONNT-KRWDZBQOSA-N 294.329 3.578 30 20 CHED N#Cc1c(CN2CC[C@@H]2c2ccccc2)cn2ccccc12 348539716 ATAKGXRYDUIUDN-GOSISDBHSA-N 287.366 3.758 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C12CCC(CC1)C2 342504561 VYSKGNSWKYCBGA-UHFFFAOYSA-N 299.414 3.790 30 20 CHED CC(C)(C#N)CCSCc1ccc(F)cc1C#N 341916536 DKVDVUMVTGIDIY-UHFFFAOYSA-N 262.353 3.870 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C1=C(C)CCC1 437263464 ARULVLTXQRIEBU-UHFFFAOYSA-N 282.387 3.797 30 20 CHED COc1ccc(C#N)cc1CN1C[C@H](C)CCC[C@@H]1C 438060573 HWWNFFKXMFZGIC-KGLIPLIRSA-N 272.392 3.577 30 20 CHED COc1cc(C#N)ccc1OCc1oc(C(C)C)nc1C 436476417 ZOXPSOXEKVUVSO-UHFFFAOYSA-N 286.331 3.566 30 20 CHED C=CCCOCCN[C@H](C)c1cccc(C2CC2)c1 340312234 IYZOISKEULJUSS-CQSZACIVSA-N 259.393 3.807 30 20 CHED N#Cc1cccc(CNCCc2ccc(F)cc2Cl)c1 609599072 HVVVETOHUOSJJI-UHFFFAOYSA-N 288.753 3.683 30 20 CHED CC[C@@H]1Cc2ccccc2CN1c1nccc(C)c1C#N 341608956 IPVWWUYHCIYOBU-MRXNPFEDSA-N 277.371 3.603 30 20 CHED N#Cc1cc(NC(=O)c2ccc(Cl)cc2F)ccc1F 51637657 RUPVDWNTWWHZKO-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)NC[C@@H](C)CCC#N 602564376 FGMIVQCBBBXWRY-YOEHRIQHSA-N 276.399 3.922 30 20 CHED CC1(C)C(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1(C)C 344277147 ULAHQHLCJDZZEH-UHFFFAOYSA-N 296.414 3.731 30 20 CHED Cc1ccc([C@]2(C)CCN(c3ccc(C)c(C#N)n3)C2)cc1 432933370 UJCRYKYEXNAXCN-LJQANCHMSA-N 291.398 3.738 30 20 CHED CC1=C(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCC1 348729119 NJZJMXMHSGUCCK-UHFFFAOYSA-N 292.382 3.674 30 20 CHED N#CC1(CSc2nnc(-c3ccccc3Cl)o2)CC1 347064345 GUJISDNBPCTGIJ-UHFFFAOYSA-N 291.763 3.786 30 20 CHED CC(C)C[C@@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 431166240 JCCBOXNBUOWXBI-MRXNPFEDSA-N 284.403 3.626 30 20 CHED Cc1ccc(-c2ccc(NC(C)C)nc2)c(C#N)c1 600773958 AGRWHJXYCZRDKK-UHFFFAOYSA-N 251.333 3.749 30 20 CHED COC(=O)[C@H](Sc1ccccc1C#N)c1ccsc1 347771805 AIBALWKBFBGPJX-CYBMUJFWSA-N 289.381 3.626 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1ccsc1 254912324 NCYCPSHLAWQNME-WAYWQWQTSA-N 268.337 3.963 30 20 CHED N#CCCN(C/C=C\c1ccccc1)Cc1ccccn1 255195711 NVGSZSPWBFEPSZ-POHAHGRESA-N 277.371 3.511 30 20 CHED C[C@@H](c1ccccc1)N1CCO[C@H](c2cccc(C#N)c2)C1 341802277 YPXWVXJESQNPNL-KXBFYZLASA-N 292.382 3.693 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccsc2)cc1 298697292 FVIHPMRAUFFTRL-HNNXBMFYSA-N 254.358 3.961 30 20 CHED Cc1ccnc(NCC(C)(C)CCC#N)c1Br 340941826 VDJOJQOVLVTOFF-UHFFFAOYSA-N 296.212 3.894 30 20 CHED C=CCOc1ccc(CNC[C@@H](OC)C(C)C)cc1Cl 525290233 HDHSNAYZBJBZNI-MRXNPFEDSA-N 297.826 3.665 30 20 CHED N#Cc1cc(Cl)ccc1SCC1CCOCC1 601912964 OCWLXSWRBGICEO-UHFFFAOYSA-N 267.781 3.730 30 20 CHED CC[C@@H](NC[C@@H](CCO)CC(C)C)c1ccc(C#N)cc1 447559986 BQIAMUUVKNVJOP-FUHWJXTLSA-N 288.435 3.644 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2ccsc2[nH]1 604499062 YADGDGBVJSGGLA-UHFFFAOYSA-N 281.340 3.662 30 20 CHED Cc1cc(CN(C)Cc2ccc(F)c(C#N)c2)ccc1F 444730222 DUIYIKCZDHQGQD-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(CC)CC1CCC1 359257132 VMAXJIWEUUECJP-UHFFFAOYSA-N 288.439 3.748 30 20 CHED Cc1cccc(Oc2ccccc2C(=O)N[C@H](C)CC#N)c1 442033510 XRLGHRLOBCGXQE-CQSZACIVSA-N 294.354 3.819 30 20 CHED CNCC1(c2ccc(-c3cccc(F)c3C#N)cc2)CC1 600791524 QKKAMQWSHZNQHB-UHFFFAOYSA-N 280.346 3.615 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@H]1C1CCCCC1 602589379 REURKWGMHWHDNI-HYVNUMGLSA-N 290.451 3.644 30 20 CHED CC[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 609766815 SZGPBPHSDJAPTI-OAHLLOKOSA-N 281.403 3.823 30 20 CHED C=CCCCCCN(C)C(=O)NC1CCC(F)(F)CC1 536453242 FJGDMEBALNLRHK-UHFFFAOYSA-N 288.382 3.952 30 20 CHED C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1CC=C 351119753 VFNNSOOLXFWHOY-UHFFFAOYSA-N 294.402 3.534 30 20 CHED CC#CCNC(=O)c1ccc(CSc2ccccc2)cc1 534262328 OYVXTOYXNNHGFP-UHFFFAOYSA-N 295.407 3.732 30 20 CHED Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(O)c1 353520489 WCNQQCIPADRYNM-OAHLLOKOSA-N 294.354 3.727 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)sc2C)C1 617788235 DRDSMSYAALFAGC-CYBMUJFWSA-N 263.406 3.793 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN(CC#N)C1CC1 443412113 ABWBAWSFJLCJLC-UHFFFAOYSA-N 268.282 3.502 30 20 CHED N#Cc1c[nH]c(C(=O)Nc2ccccc2-c2cccs2)c1 359880912 SVQBYLLVVVIDBJ-UHFFFAOYSA-N 293.351 3.867 30 20 CHED C=CCOc1cccc(-c2nc3ccccc3[nH]2)c1 612364559 PDRQNESDFAOXLW-UHFFFAOYSA-N 250.301 3.795 30 20 CHED CC(C)COc1ccccc1CN[C@H]1CC[C@H](C#N)C1 442710686 CWJXNBWGKSNIJD-HOCLYGCPSA-N 272.392 3.503 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1ccsc1 619789955 UJNKSLTUUZXTOE-LLVKDONJSA-N 285.372 3.811 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)NCC(C)(C)CCC#N)C1 358701551 ZBBQEAHQDIJAOZ-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED CC(C)OCc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 442876966 SXVQBXJFRWMDMD-ZBFHGGJFSA-N 258.365 3.716 30 20 CHED CC#CCNC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 534976386 YDWNNQZAKYHODU-ZDUSSCGKSA-N 290.432 3.571 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 448563040 AFHQAGUAWSWWNS-DLBZAZTESA-N 269.388 3.771 30 20 CHED C=CCCC1(C(=O)Nc2nc(-c3cccnc3)cs2)CC1 358929903 ACJSDDJNWYQQBM-UHFFFAOYSA-N 299.399 3.890 30 20 CHED C=C(CC)CS[C@H](C)C(=O)N(C)C1CCCCC1 536882811 XACCGSKEVNFWNQ-CYBMUJFWSA-N 269.454 3.865 30 20 CHED C[C@H](NCc1ncc(C(C)(C)C)o1)c1cccc(C#N)c1 611388594 KQCCRZOFEANLIO-LBPRGKRZSA-N 283.375 3.695 30 20 CHED C[C@H]1CN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC(C)(C)C1 612134149 LLGNRMGTCZANPC-ZIAGYGMSSA-N 299.418 3.697 30 20 CHED N#Cc1ccc(C(=O)N2CCCCCc3ccccc32)s1 444454948 QMJKALZQRHZXQU-UHFFFAOYSA-N 296.395 3.993 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)c(F)c1 539427017 FCKKJLZHBVGKNQ-JTQLQIEISA-N 269.747 3.954 30 20 CHED C=CCCC[C@@H](C)NC(=O)COC/C=C/c1ccccc1 538334060 PIKSVUCVUICYCS-LRFDDAOPSA-N 287.403 3.577 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C 453306455 JOCHEQWMVMBBTH-LBPRGKRZSA-N 262.353 3.766 30 20 CHED N#CCCCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 368359463 CWCPGWRYSRIWEV-CYBMUJFWSA-N 282.309 3.798 30 20 CHED C=CCc1cc(CN2CC[C@](C)(CC)C2)cc(OC)c1O 536695317 ZTSKVLAALNMGIU-SFHVURJKSA-N 289.419 3.751 30 20 CHED C=CCCC(=O)Nc1c2c(cc3c1CCC3)CCC2 362364470 USRVSCYLIPEVLN-UHFFFAOYSA-N 255.361 3.569 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2nc(C3CC3)oc2c1 454930754 UAVZOLNTOZNEDM-UHFFFAOYSA-N 285.347 3.793 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 612098466 QAZXRFFRHDBSCH-GDBMZVCRSA-N 279.428 3.536 30 20 CHED Cc1cc(C)c2c(c1)[C@H](NCC1(CC#N)CC1)CCCO2 366767788 NBDGLZGHPRICOC-MRXNPFEDSA-N 284.403 3.801 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cccc(OC)c1Cl 613271838 JPBCCGRXBKBLII-LBPRGKRZSA-N 295.810 3.752 30 20 CHED CC(C)(CC#N)CNCc1cscc1Br 459736274 UKSOWQKCTHCKIK-UHFFFAOYSA-N 287.226 3.540 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C)c(F)c2)C1 617788081 AFGYPMHHCNDTRQ-ZDUSSCGKSA-N 261.340 3.562 30 20 CHED COCCN(CC#N)Cc1sc2ccccc2c1Cl 453595417 HLUSQFBPVSTRCU-UHFFFAOYSA-N 294.807 3.527 30 20 CHED CC(C)CC(C)(C)CNC(=O)[C@]1(C#N)CC12CCCC2 450070019 WDZJWOSTNIWDGM-QGZVFWFLSA-N 276.424 3.649 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)CCCC1 450055127 BGCFPWRJZHLLSP-HZPDHXFCSA-N 293.451 3.690 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@]2(CCSC2)C1 451979268 QAGUCLJOGPSPIY-OAHLLOKOSA-N 266.454 3.535 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCC)CC(C)C 451394240 RTHYCGIEVQZHPG-JYJNAYRXSA-N 281.440 3.546 30 20 CHED C=CCCCCCN(C)C(=O)NCC(C)(C)C=C 455369020 OWSOBVUSYHJWRQ-UHFFFAOYSA-N 252.402 3.586 30 20 CHED CC(C)(C)SCCSc1ccc(C#N)cn1 278899268 YFDYVWMWVPVTMT-UHFFFAOYSA-N 252.408 3.577 30 20 CHED C=CCCC(=O)Nc1cc(-c2ccccc2)cnc1C 366884437 UIPCPGCNYCGWCS-UHFFFAOYSA-N 266.344 3.962 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(OC(C)C)c1 455775622 BNUSQOAJVHAQEO-ZDUSSCGKSA-N 276.380 3.950 30 20 CHED N#CC1(c2nc(-c3cnc4ccsc4c3)no2)CCCC1 274042847 WNCOZEONSBFSJD-UHFFFAOYSA-N 296.355 3.682 30 20 CHED CC#CCCNC(=O)Cc1coc2ccc3ccccc3c12 542673565 ISTZXHPVPGWNTN-UHFFFAOYSA-N 291.350 3.658 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1CCCCO1 279377444 HZHNYFZKWYUUQJ-KRWDZBQOSA-N 287.403 3.551 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(OC(C)C)c1 455775621 BNUSQOAJVHAQEO-CYBMUJFWSA-N 276.380 3.950 30 20 CHED C=CCOCc1nc(CCCc2ccccc2Cl)no1 547125900 VUVIJZUTDQACRE-UHFFFAOYSA-N 292.766 3.601 30 20 CHED C[C@@H](NC[C@]1(C)CCCS1)c1ccc(C#N)c(F)c1 271979064 WRKDKHGBCDPKMM-ABAIWWIYSA-N 278.396 3.634 30 20 CHED C=CCCN(C)Cc1csc(Cc2ccccc2)n1 467292774 WDCUIUABUFNIPQ-UHFFFAOYSA-N 272.417 3.742 30 20 CHED C=CCC[C@@H](CC)NCC1([C@H](C)CCO)CCC1 540605104 BVFGGZXOMXIOIN-HUUCEWRRSA-N 253.430 3.510 30 20 CHED N#Cc1cccc(-c2nc(-c3cccc4cnccc34)no2)c1 545086386 GARRDLBQPRWAKV-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)CCC(C)(C)C 272718519 SPLIQAAGVBXSEW-GFCCVEGCSA-N 274.364 3.742 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 460597079 DFBQOKYQPTVLNJ-HYVNUMGLSA-N 299.414 3.950 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ccsc1 620864014 MELWSWHEIUVEGP-UHFFFAOYSA-N 251.395 3.542 30 20 CHED CCC1(CC)CCN(c2cc(C(C)=O)ccc2C#N)C1 541578009 OCIWLXFOFYOKJE-UHFFFAOYSA-N 270.376 3.777 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1c(C)cccc1C)OCC 545454958 BBCLETSERDWSNG-JKSUJKDBSA-N 289.419 3.852 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCC2(CCCCCC2)C1 464693596 VSYBJDUHQDUWCF-MRXNPFEDSA-N 293.451 3.931 30 20 CHED Cc1cc(C#N)cnc1-c1nc(-c2ccccc2Cl)no1 550951070 XMOPARRISMDRFC-UHFFFAOYSA-N 296.717 3.632 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(Cl)nc1 280882839 CKLCQYYHDSRKBO-GQCTYLIASA-N 289.766 3.717 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC)Oc1ccccc1C 466525405 HUPUBOKBMIYKKT-GJZGRUSLSA-N 275.392 3.623 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(F)cc(F)c1 280712046 DPXICLWGANCYPB-OZVIIMIRSA-N 281.346 3.597 30 20 CHED C=CCC[C@@H](C)N[C@@H](Cn1ccccc1=O)c1ccccc1 282505647 OGJWOMDBFMJBQZ-AEFFLSMTSA-N 296.414 3.534 30 20 CHED CC(C)C(C)(C)CNC1CCN(c2ccc(C#N)cc2)CC1 552066924 UYRIXBXWJAOIIE-UHFFFAOYSA-N 299.462 3.799 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC[C@H]1CCOC 281997467 CTBORMYBBUWOOX-RDJZCZTQSA-N 289.419 3.546 30 20 CHED C[C@H](C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C)c1cccc(C#N)c1 462054543 OEERBRHCKCHYAX-FHIRATQRSA-N 284.403 3.603 30 20 CHED CCOCC(C)(C)CN[C@@H](CC)c1ccc(C#N)cc1 289861872 BPOPBEFZTBBNHX-INIZCTEOSA-N 274.408 3.662 30 20 CHED C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1cccc(C#N)c1 461749807 YDTNMHROYQHHIU-QDEZUTFSSA-N 284.403 3.603 30 20 CHED C=CCOCCCN(C)[C@@H](CC)Cc1ccccc1 470766242 QNMNOLMFEDPANO-KRWDZBQOSA-N 261.409 3.532 30 20 CHED C#C[C@@H](NC(=O)Nc1cc(Cl)ccc1OC)C(C)(C)C 808481894 GLZZMDVZXUVCLS-CYBMUJFWSA-N 294.782 3.518 30 20 CHED C=CC1CCN(C(=O)N[C@@H](c2cccs2)C2CC2)CC1 476404608 DBUPKFJQLUQRHV-OAHLLOKOSA-N 290.432 3.807 30 20 CHED CSCC(C)(C)C(=O)O[C@H](C)c1cccc(C#N)c1 800312915 WKWYCJPCIIOUTO-LLVKDONJSA-N 277.389 3.552 30 20 CHED C[C@@H]1/C(=C/c2cccc3c2OCO3)C(=O)c2ccccc21 809159391 OQHARSXHAMFSBM-GPILYODUSA-N 278.307 3.799 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1ccc2[nH]ccc2c1 472281157 YXNDHGIGBLYOCC-UHFFFAOYSA-N 295.367 3.768 30 20 CHED C=CCCCC(=O)Nc1nc(C(C)(C)C)cs1 479513574 UMDOUTTYCRUMBA-UHFFFAOYSA-N 252.383 3.735 30 20 CHED C#CCCCNc1ccc(Cl)cc1OCC(F)F 809194767 DOPSIBHYCZYSRO-UHFFFAOYSA-N 273.710 3.809 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H]1CCCC1(C)C 475406969 KYUGDTSKFQKWOY-HNNXBMFYSA-N 287.403 3.694 30 20 CHED C=CCC[C@H](O)CN1CCCCC[C@@H]1c1ccc(C)o1 472588944 LMHMDJFGQCWDCB-JKSUJKDBSA-N 277.408 3.832 30 20 CHED CC#CCCCC(=O)N1CCC[C@H](c2ccccc2)C1 562115953 ANEALQSPULHGSY-KRWDZBQOSA-N 269.388 3.586 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1cccc(C)c1)C2=O 809158206 YVEVNBRDHNLWSV-LCYFTJDESA-N 282.314 3.965 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 292672980 FYDAJWHMOUQMRU-JSGCOSHPSA-N 293.432 3.639 30 20 CHED Cc1ccc(CC(=O)Nc2cccc(C#N)c2)c(Cl)c1 474663886 SPGLPFJUXFDASZ-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CCCCCc1ccc(NC(=O)c2cnccc2C#N)cc1 561107517 NQNANJYSGXNUAO-UHFFFAOYSA-N 293.370 3.938 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc2ccccc2n1 291820155 ZIOMUFLRPYNFCW-OAHLLOKOSA-N 282.387 3.638 30 20 CHED N#Cc1nccnc1N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 563320494 PRIARPSXNAYRLU-GXTWGEPZSA-N 298.777 3.750 30 20 CHED Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)c2ccccc2c1 297463431 RGGAGVMGOSVWAP-ZDUSSCGKSA-N 281.359 3.772 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(F)ccc1Cl 292478497 APUNPSJVEFCERE-UHFFFAOYSA-N 255.720 3.517 30 20 CHED C=CCCCCCCNC(=O)c1cnc(CC)s1 805221603 SAHLWTBOMWJYJS-UHFFFAOYSA-N 266.410 3.572 30 20 CHED C=CC[C@H](C)NCCCc1c(F)cccc1Cl 568713531 UINBPVUBUIYTBI-NSHDSACASA-N 255.764 3.966 30 20 CHED C=CCCCCCN[C@H](CCO)c1ccccc1F 646069980 FJMCNLQFNCRMDE-MRXNPFEDSA-N 265.372 3.585 30 20 CHED Cc1csc(NC(=O)N2CC[C@@H](C)C[C@@H](C)C2)c1C#N 560465736 PASGNXIHAPGBSX-GHMZBOCLSA-N 291.420 3.828 30 20 CHED C=CCN(C(=O)[C@H](C)Sc1ccccn1)c1ccccc1 647741780 IIQTZPJCBQRBSH-AWEZNQCLSA-N 298.411 3.781 30 20 CHED CCC(=NN[C@@H]1CCCOC1)C12CC3CC(CC(C3)C1)C2 811648800 QXVUREXLGWADNO-QFQXCOSMSA-N 290.451 3.737 30 20 CHED CC(=O)c1cc(C(=O)O[C@@H](C#N)C2CCCCC2)cs1 815277002 MZNFTERMHMCQMQ-ZDUSSCGKSA-N 291.372 3.580 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@H]2C(C)(C)C#N)o1 814821158 VFUGTPZHKPDJPV-LLVKDONJSA-N 299.378 3.787 30 20 CHED C=CCC(C)(C)CNC(=O)NCCCc1cccs1 567548403 RRJHRJKHBGTAOT-UHFFFAOYSA-N 280.437 3.582 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 488484673 VHFXTLUMOJEIEK-MLGOLLRUSA-N 272.392 3.671 30 20 CHED CCCC(=NNc1nc(C)cc(C)n1)c1ccc(OC)cc1 814681342 HLQFNXBHYOIXHH-UHFFFAOYSA-N 298.390 3.718 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1CCC1CCCC1 483425376 XOTGZAPUIHFMLC-MRXNPFEDSA-N 276.424 3.544 30 20 CHED N#C[C@H]1CCCC(=NNc2cc(Cl)nc(Cl)c2)C1 819828751 OZBROJDJDMWLLR-QMMMGPOBSA-N 283.162 3.870 30 20 CHED Cc1cc(OCc2cccc(C#N)c2)c2ccccc2n1 486194155 OSKWIBLKTWRJLT-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H](F)C1 570566473 GTRFFJQLNODRFX-JKSUJKDBSA-N 290.382 3.665 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCC(=O)C[C@@H]1C 811590079 OMRQUGWLNYGJKR-HOCLYGCPSA-N 279.424 3.635 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccnn1[C@H](C)CC(C)C 816769260 AGDYNFMOPXELAW-LLVKDONJSA-N 285.338 3.640 30 20 CHED CC(=NNc1ccccc1)c1cccc(CN(C)C)c1 814684454 UMDLOPCYSQHBMU-UHFFFAOYSA-N 267.376 3.584 30 20 CHED C#CC[C@@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 815876751 NDBWGDIZTMMNJS-MUDYYLEHSA-N 281.399 3.694 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(/C=C\C)cc1 487944619 AJHUDNZVQHMFIM-GTBONMDNSA-N 284.403 3.721 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 815030931 UUTLDGMDKXHKFK-LBPRGKRZSA-N 297.345 3.929 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CC(=O)c2ccccc21 811590312 XGEILHJIMJFLLS-KRWDZBQOSA-N 299.414 3.999 30 20 CHED C=CCCCCOC(=O)c1ccccc1-c1nnc(C)o1 811013439 VSUVYRYXVZTRIR-UHFFFAOYSA-N 286.331 3.558 30 20 CHED C[C@@H](NN=Cc1nc2c(s1)CCCC2)c1ccccc1 814814940 GLBWXHJSSDNTAA-GFCCVEGCSA-N 285.416 3.707 30 20 CHED C[C@@H](OC(=O)CCCC#N)c1ccc(Br)cc1 813062235 GVRBZTOUMUJVPD-SNVBAGLBSA-N 296.164 3.747 30 20 CHED N#Cc1ncc(OCc2ccc(C3CCCC3)cc2)cn1 570846339 SUDADCKFERHTFM-UHFFFAOYSA-N 279.343 3.585 30 20 CHED Cn1cc(CN[C@H]2CCC[C@H](c3ccccc3)C2)cc1C#N 486866730 OCMZKXUZWONRBZ-ROUUACIJSA-N 293.414 3.713 30 20 CHED CC[C@H](Cc1ccccc1-c1ccsc1C#N)C(=O)O 579496050 VYQRBUVXRONGKL-LLVKDONJSA-N 285.368 3.940 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cccc(C(C)C)c1 483339612 NDSUIUBKKZQEFC-UHFFFAOYSA-N 274.408 3.918 30 20 CHED CCCCCCCCC(=O)N[C@H](C#N)CC(C)C 726559361 DZWKSOGUOOWFRH-AWEZNQCLSA-N 252.402 3.791 30 20 CHED C#Cc1cccc(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)c1 728482873 NPIJWHCYKKVTFP-UHFFFAOYSA-N 293.410 3.847 30 20 CHED C=CCC[C@H](C)NC[C@H](OC1CCCC1)C(F)(F)F 658124958 RWEBTZFTYNCOTA-AAEUAGOBSA-N 279.346 3.821 30 20 CHED CC(C)CC[C@H]1CCCC1=NNCCN1CCCCC1 727255090 ISWREWZHFBYSNZ-MRXNPFEDSA-N 279.472 3.654 30 20 CHED Cc1cc(C(=O)OCc2cc(C#N)ccc2F)ccc1F 728995424 DIYRAXMEOJPVLW-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCCCCCC[C@@H](C)NC1CCN([C@@H]2CCOC2)CC1 827549330 HXAAEEGAWWLCFW-SJLPKXTDSA-N 296.499 3.578 30 20 CHED C=CCC[C@@H](CC)NC[C@@]1(C)CC1(Cl)Cl 824774793 VGPUQQTZUBHHCM-GHMZBOCLSA-N 250.213 3.905 30 20 CHED CC1(C)CCN(C(=O)c2ccsc2C#N)c2ccccc21 905650836 FSQMOFLUXWJTII-UHFFFAOYSA-N 296.395 3.948 30 20 CHED C=CCOc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1 498262863 VAFCABKJQPMMES-AWEZNQCLSA-N 293.366 3.843 30 20 CHED C=C[C@H](CC)Cc1nc(CCOCc2ccccc2)no1 904091459 JQNSLGRNUAQOPT-CQSZACIVSA-N 286.375 3.584 30 20 CHED C=CCCCCNC(=O)NCc1cccc(SCC)c1 490232487 WMKMXMGCRPOOQG-UHFFFAOYSA-N 292.448 3.954 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 498403404 IQSXXCJFYQLFCA-KGLIPLIRSA-N 299.418 3.671 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H](C)CCC=C(C)C 580716975 UHHUPZSLSGMOSC-XHSDSOJGSA-N 279.424 3.609 30 20 CHED COc1ccc2cc(/C=C\C(=O)O[C@@H](C)CC#N)ccc2c1 733711233 YGMUXIGPHIUHAG-UKOWJOKBSA-N 295.338 3.707 30 20 CHED C=C[C@H](CC)Cc1nc(-c2ncccc2OC(C)C)no1 904105553 ALVYROHECYXHKW-GFCCVEGCSA-N 287.363 3.674 30 20 CHED C=CCCC[C@H](N)c1nc(-c2cccc(C)c2F)no1 904710106 XMLJQQOBDDFKJN-LBPRGKRZSA-N 275.327 3.540 30 20 CHED Clc1nccnc1NN=Cc1csc2ccccc12 733079868 WCSCAVINNJSIJV-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C[C@@H](Nc1ccc(N(C)C(=O)O)cc1)c1cccc(C#N)c1 833526859 WJLRRIOKCNSJRM-GFCCVEGCSA-N 295.342 3.846 30 20 CHED COCCC(=NNc1ccccc1F)c1ccc(F)cc1 734746696 PUEKOJWQKAUUDR-UHFFFAOYSA-N 290.313 3.818 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc(C(F)(F)F)s1 839041004 SMWWUSLKWWQKKM-MRVPVSSYSA-N 276.279 3.726 30 20 CHED N#CC1(CCCCONC(=N)c2cccc(F)c2)CCC1 902703577 QXERKRRBRDZDFH-UHFFFAOYSA-N 289.354 3.536 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCc2ccc(F)cc2F)C1 839054860 MCGOXYDEHKMNJX-SMDDNHRTSA-N 293.313 3.523 30 20 CHED C[C@H]1/C(=C\c2ccc(OCC3CC3)cc2)C(=O)c2nccn21 901564784 HMQIJHSKERSRTR-SEJMYLSOSA-N 294.354 3.513 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@H](F)C1 582119284 PURBQFBZIFYZCO-UONOGXRCSA-N 270.392 3.655 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)/C=C(/C)C(C)(C)C 839424478 MERIORLQGYGPGN-FLIBITNWSA-N 284.359 3.692 30 20 CHED C#CCC[C@H](C)OC(=O)Cc1c[nH]c2ccc(Cl)cc12 839037672 CINRWVYIFRTMOC-NSHDSACASA-N 289.762 3.709 30 20 CHED N#CC1(CCCCOC(=O)c2cccc3[nH]ncc23)CCC1 909244594 UPEZHRWLRHGPNC-UHFFFAOYSA-N 297.358 3.584 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H](C)c2ccccc2)c1 730434398 LCTSZTWCPJRRAI-RNEAKCBISA-N 269.344 3.971 30 20 CHED Cc1cc(F)ccc1NN=Cc1c(C)nn(C(C)C)c1C 901208904 ZWXWOICIVFOPTC-UHFFFAOYSA-N 288.370 3.974 30 20 CHED C=CCCCCN[C@H](c1ccccc1)C(C)(C)CO 582646975 DWCXMVGDONPSTN-MRXNPFEDSA-N 261.409 3.692 30 20 CHED Cc1cc(C)nc(COC(=O)CC2(C#N)CCCCC2)c1 909429320 BIWNRHYMWXRTJZ-UHFFFAOYSA-N 286.375 3.606 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C(=O)O)c(C)cc1C 909511369 SKLVIICOVZPYAY-UHFFFAOYSA-N 275.348 3.542 30 20 CHED CC(C)[C@@H](CNC(=O)C#CC1CC1)c1ccc(Cl)cc1 837643486 PAPCIVXZRUIUFN-MRXNPFEDSA-N 289.806 3.609 30 20 CHED N#CCCCCNc1c(C#N)cnc2c(Cl)cccc12 580831003 XLTOLJVSRXXCRZ-UHFFFAOYSA-N 284.750 3.866 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2OCC(C)C)n(C)n1 834441653 QDWAKTBCDKPKCW-MDZDMXLPSA-N 298.386 3.659 30 20 CHED N#CCC1(CSc2nnc(CCc3ccccc3)o2)CC1 594896452 UADYNJSOXPFHNS-UHFFFAOYSA-N 299.399 3.641 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc(CCC(F)(F)F)cc1 594086633 YUQPBLKGIDDHGH-CYBMUJFWSA-N 298.308 3.556 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)c2ccco2)n1 747198542 ZBWUQBHMCBBPCC-GHMZBOCLSA-N 288.372 3.839 30 20 CHED N#CCCCCOC(=O)c1cccc(Cl)c1Cl 912956739 UUFIGLDPFLJMTR-UHFFFAOYSA-N 272.131 3.844 30 20 CHED C=CCN(CCc1ccco1)c1ccnc(C(C)(C)C)n1 679282016 IOXAQLJNRRXGOQ-UHFFFAOYSA-N 285.391 3.602 30 20 CHED C=CCN(C(=O)CCCOc1ccc(Cl)cc1)C(C)C 917659239 PTMUFVNDCNKOKQ-UHFFFAOYSA-N 295.810 3.922 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)Cc2ccc(F)cc21 749005231 JAZZHHWNXKUUTA-YFHOEESVSA-N 274.241 3.926 30 20 CHED N#CC1(CC(=O)Nc2scnc2C2CC2)CCCCC1 597454813 NAOAMCLQSVGJKY-UHFFFAOYSA-N 289.404 3.823 30 20 CHED CCN(C(=O)CCCCCc1ccc(F)cc1)[C@H](C)C#N 598362177 ZIGIFEUPCHBKJS-CQSZACIVSA-N 290.382 3.689 30 20 CHED Cc1ccc2c(C=NNCc3cc(F)ccc3F)c[nH]c2c1 917544706 FAEHQTWCVXBBDN-UHFFFAOYSA-N 299.324 3.878 30 20 CHED CCC(=NNc1cccc(OC)c1)c1ccc2c(c1)CCO2 915956008 PBDDJGVPSSLGRK-UHFFFAOYSA-N 296.370 3.856 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cc(C(C)=O)c[nH]1 918000619 VQAUTBNQRFUOBS-ZDUSSCGKSA-N 292.423 3.944 30 20 CHED CCc1nc2ccc(NCC3(CC#N)CC3)cc2s1 594704124 BPKJURYWRJULPR-UHFFFAOYSA-N 271.389 3.964 30 20 CHED CC(C)c1ccc(C=NNCc2ccccc2)cc1[N+](=O)[O-] 916345045 RTTWSPRNCXOCDQ-UHFFFAOYSA-N 297.358 3.842 30 20 CHED CC(CCCCC#N)=NNc1cccc(C(F)(F)F)n1 841625229 IILCJWUVXLZXKA-UHFFFAOYSA-N 284.285 3.972 30 20 CHED C#C[C@H](OC(=O)CC1CC1)c1cccc(C(F)(F)F)c1 842408824 JUSCUOOQASKDIV-ZDUSSCGKSA-N 282.261 3.723 30 20 CHED C=C(C)CON=C(C)[C@@H](C)c1ccc(OC)c(OC)c1 844618271 NSMKDRQDUVSDMU-GFCCVEGCSA-N 277.364 3.776 30 20 CHED C[C@@H](CSC[C@H](O)CC(C)(C)C#N)c1ccccc1 598700580 CTBSPULUUWERMK-DZGCQCFKSA-N 277.433 3.824 30 20 CHED CC(C)c1cc(C(=O)OCCC2(C#N)CCCCC2)on1 840230665 IPBYJPKCPWJZQH-UHFFFAOYSA-N 290.363 3.819 30 20 CHED Cc1cc2c(N(CCC#N)CC(C)(C)C)ncnc2s1 848674798 JIKIDLVGTBJWRE-UHFFFAOYSA-N 288.420 3.766 30 20 CHED C=CCCC[C@@H](C)NC(=O)CNc1cccc(Cl)c1 678894373 CCMGJSBNXOOZHZ-GFCCVEGCSA-N 280.799 3.613 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1coc2ccccc12 747765630 FTCANGFFKKPQIC-UHFFFAOYSA-N 285.734 3.739 30 20 CHED CCC(=NNc1ncnc2c1oc1ccccc12)C1CC1 741162994 GMPUHNMHOSTRHN-UHFFFAOYSA-N 280.331 3.964 30 20 CHED CCOCc1cc(C=NNc2cccc(C)c2)ccc1OC 747602766 PREAWLRDKASAOF-UHFFFAOYSA-N 298.386 3.986 30 20 CHED CCn1ccnc1[C@H](C)Nc1nc(C(C)(C)C)ccc1C#N 590723761 FLNRPLQVPOTFKJ-LBPRGKRZSA-N 297.406 3.640 30 20 CHED C=CC(C)(C)CNC(=S)N[C@H](CC)c1cccs1 840794064 CHBUMJUSGVCTKZ-LLVKDONJSA-N 282.478 3.876 30 20 CHED C[C@@H]1SCC[C@@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 592400501 UXEVREXUOUZVMQ-AFAVFJNCSA-N 286.444 3.809 30 20 CHED CCCNN=Cc1ccc(OCc2ccccc2F)cc1 915965083 DHLDLTJAIFEJCW-UHFFFAOYSA-N 286.350 3.738 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cccc(C3CC3)c2)C1 591502722 RERNALZPHFDCLK-KRWDZBQOSA-N 254.377 3.690 30 20 CHED CCCCCCCCC(=O)NC[C@@H](O)c1ccccc1F 746713141 QVJOOTPKQWVMMV-MRXNPFEDSA-N 295.398 3.726 30 20 CHED C[C@H](CO)NN=C1CCCCCCCCCCC1 749816687 SNCPLDHXVXBPGJ-CQSZACIVSA-N 254.418 3.618 30 20 CHED N#Cc1ccc(SCc2cc(C3CC3)no2)c(F)c1 594887767 RRIHGTZZKZFINK-UHFFFAOYSA-N 274.320 3.855 30 20 CHED C=C(Cl)CNc1ccc(C)c(C(=O)N(C)C(C)C)c1 849315825 ISAQLJMRARLYPI-UHFFFAOYSA-N 280.799 3.640 30 20 CHED CC(C)(C)N(CCCSCC#N)Cc1ccsc1 595601760 SEUGZWDFIFXHMM-UHFFFAOYSA-N 282.478 3.995 30 20 CHED Cc1cc(C#N)ccc1N1CCO[C@H](c2ccccc2F)C1 846747151 ABIDIIUVTQAYFB-SFHVURJKSA-N 296.345 3.584 30 20 CHED CCCCCCCN1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 740875896 KZYBEQZPBFONKA-FGTMMUONSA-N 296.499 3.530 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C=C(/C)c1cccc(Cl)c1 847167645 JOAXCPPTXSCLKM-MSKHEQNASA-N 276.767 3.504 30 20 CHED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1cccc(O)c1 750902086 VCXBIYPUNPJLFH-MPYXGJHCSA-N 295.294 3.753 30 20 CHED N#Cc1csc(/C=C\C(=O)c2ccccc2F)c1 757464800 GKGQPUFPINKEFX-WAYWQWQTSA-N 257.289 3.655 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(O)c(F)c1 750938718 MXFSWNYUKPVPJC-UHFFFAOYSA-N 276.286 3.815 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2cccc3[nH]ccc23)o1 755674762 SMRSMSJATHYPRA-UHFFFAOYSA-N 293.330 3.597 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2cc(O)ccc2O)c1 757468766 WVKKYFKXZVTEMD-HWKANZROSA-N 268.312 3.611 30 20 CHED C#Cc1cccnc1NCc1cccc(CN(CC)CC)c1 853189315 QQOZLAVPKKKWKD-UHFFFAOYSA-N 293.414 3.517 30 20 CHED CCc1ccc([C@H](C)CC(=O)N2CCC[C@H](C#N)C2)cc1 928220641 JXCLKUGIYCFSRI-GDBMZVCRSA-N 284.403 3.505 30 20 CHED Clc1cccc2c1CCC2=NNc1nc2ccccc2[nH]1 921253795 QIHGEAYOFVIUAJ-UHFFFAOYSA-N 296.761 3.979 30 20 CHED CC(=O)c1ccc(OC(=O)CC2(C#N)CCCCC2)c(C)c1 857585442 XWVXRKPIWYUXFD-UHFFFAOYSA-N 299.370 3.967 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2ccnc(O)c2)cc1 752878886 STYYHLJAGFZQNH-YFHOEESVSA-N 296.370 3.530 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccccc1F 759069700 AUEAHRCLCASNPC-WAYWQWQTSA-N 267.712 3.832 30 20 CHED N#Cc1cccc(/C=C2\Cc3c(F)cccc3C2=O)c1 921263499 FIIPHUUABZNWQL-MDWZMJQESA-N 263.271 3.520 30 20 CHED CCCCCCCCNC(=O)[C@H](C)c1c(C)nn(C)c1C 754855823 YHZANUOBLJEFEZ-CYBMUJFWSA-N 293.455 3.617 30 20 CHED COc1ccc(C)cc1/C=C1/Cc2c(F)cccc2C1=O 921264701 XQIFNEKCYSBOEZ-LCYFTJDESA-N 282.314 3.965 30 20 CHED C=CC[C@H](NCc1ccc(OC)cc1C)c1ccncc1 921748795 ZIWBDKGSKGFDAH-SFHVURJKSA-N 282.387 3.806 30 20 CHED CC(=NN=C1CCC(=C2CCC2)CC1)c1cnccn1 853314453 MADCYCODYIUFMV-UHFFFAOYSA-N 268.364 3.696 30 20 CHED C=CCC1(C(=O)O[C@H]2CCN(c3ccccc3)C2)CCC1 851189245 MMYXNURHHYNKMS-INIZCTEOSA-N 285.387 3.555 30 20 CHED CCCCOC(=O)CSc1ccc(C#N)cc1Cl 757391282 KPPCXMLVCVNPPZ-UHFFFAOYSA-N 283.780 3.647 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc(SC)cc1)OCC 756471834 LWKSGYMZMXEYNM-OAHLLOKOSA-N 294.416 3.823 30 20 CHED N#CC1(CC(=O)OC[C@@H]2CCCSC2)CCCCC1 851023080 VMPJCSXNPTZMLB-ZDUSSCGKSA-N 281.421 3.537 30 20 CHED COc1cccc(NN=C(C)c2cc(F)cc(F)c2)c1 755891519 AGMJNGIXQWLAPJ-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C#C[C@@H](CC)NC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 753244228 YZRLTFFMQPFFTG-HIFRSBDPSA-N 298.386 3.937 30 20 CHED Oc1ccc(C=NNc2cccc3cnccc23)cc1F 755696922 BEBSXZCUTKRFCD-UHFFFAOYSA-N 281.290 3.526 30 20 CHED Cc1cccc(CN2CCC(c3ccc(C#N)cc3)CC2)n1 933606546 JYHKYHPQTGKWOP-UHFFFAOYSA-N 291.398 3.641 30 20 CHED C(=NNc1cccc2c1CCCC2)c1cnc(C2CC2)o1 863081489 MBPOHZWINUZFBF-UHFFFAOYSA-N 281.359 3.877 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1ccc(Cl)cc1 769823508 SMILTBXZBNROJY-UHFFFAOYSA-N 283.762 3.725 30 20 CHED CSCC(C)(C)NCc1ccccc1C(C)(C)C#N 934673757 GBOJETBUWIPSBF-UHFFFAOYSA-N 276.449 3.719 30 20 CHED CC(=NNc1ccc(F)cn1)c1csc(C(C)C)n1 768777648 OPBRFJGIEPNMIG-UHFFFAOYSA-N 278.356 3.637 30 20 CHED Cc1noc(C)c1CSCc1ccccc1C#N 58240032 ITALNBINJRIRSI-UHFFFAOYSA-N 258.346 3.597 30 20 CHED CCC(CC)[C@H](C)C(=O)Oc1ccc(C#N)cc1OC 761224176 ODIJGVWBDMQOLF-NSHDSACASA-N 275.348 3.545 30 20 CHED COc1cc(C=NN2CCCC[C@@H]2C)ccc1Cl 863126138 DYWDCSROOBWKTE-NSHDSACASA-N 266.772 3.557 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(F)c(F)c1 767335866 HQNNPVUWJORBPC-UHFFFAOYSA-N 271.270 3.673 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 767100605 VPTIJSBLGCBYCU-UHFFFAOYSA-N 295.329 3.740 30 20 CHED CCC[C@H](C)N(C)Cc1ccc(O[C@H](C)C#N)cc1 768337092 ALVSCVJYRZNBCJ-UONOGXRCSA-N 260.381 3.598 30 20 CHED C#CCNC(=O)[C@@H](C)SCc1c(C)ccc2ccccc12 764667979 VAZNYCLOCTUQHS-CQSZACIVSA-N 297.423 3.519 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NCc1cccc(OCC#N)c1 1116466993 PEGZLSNTJUVSPV-PBHICJAKSA-N 286.419 3.893 30 20 CHED C=CC[C@H](NC(=O)[C@@H](CCC)C(C)C)c1ccncc1 764022554 QGHNFBCXRFRYLD-HOTGVXAUSA-N 274.408 3.887 30 20 CHED C=CCCC(=O)COC(=O)/C=C(\C)c1ccccc1Cl 761402515 KJRHTUITSHPMQJ-ZRDIBKRKSA-N 292.762 3.822 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)OCC1(C#N)CCC1 768085758 FKRTWWCKDFIZLO-HNNXBMFYSA-N 285.387 3.882 30 20 CHED C[C@@]1(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H]2CC[C@H]1C2 876349557 ZXELMQXJOPWJCO-KJRLAJNESA-N 290.313 3.601 30 20 CHED C=C(C)CNC(=S)N(CC)C[C@H](CC)c1ccccc1 774267480 MXECXKSXSBRLFJ-HNNXBMFYSA-N 290.476 3.953 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(C)c1O 779170850 WEYFQWQANYHEAM-UHFFFAOYSA-N 271.360 3.524 30 20 CHED Cc1cccc(/C=C2\CC(=O)Nc3ccccc3C2=O)c1C 774146717 WZAIXNCMEYPIDU-XNTDXEJSSA-N 291.350 3.912 30 20 CHED CCn1ccnc1C=NNc1ccc(C(C)(C)C)cc1 779824638 DGFKVXMZQYPVQN-UHFFFAOYSA-N 270.380 3.647 30 20 CHED C=CCN(C)Cn1nc(-c2cc(C)cc(C)c2)oc1=S 777548676 YKXNJMJYQKLXRU-UHFFFAOYSA-N 289.404 3.565 30 20 CHED Fc1ccc(C=NNc2cc(Cl)ccn2)c(Cl)c1 777905362 IATPESFXJYGYIM-UHFFFAOYSA-N 284.121 3.974 30 20 CHED COc1ccc(NCCCCC(F)(F)F)cc1C#N 871866801 OOVHFVOBYJPQHB-UHFFFAOYSA-N 272.270 3.711 30 20 CHED C#C[C@H](C)NC(=O)/C(C)=C/c1c(Cl)cccc1Cl 775385677 JXYBIKXMZPCINO-DDXVTDLHSA-N 282.170 3.535 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(C(=O)OC)c2)o1 1116270856 PJIUNRPJLONLBA-VQHVLOKHSA-N 284.311 3.525 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1cnc(C)s1 773122589 AMGYFZNJEZXRSX-CYBMUJFWSA-N 265.426 3.734 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1ccc2ncccc2c1 779820703 MVDODWXRAPUBIT-UHFFFAOYSA-N 287.326 3.557 30 20 CHED Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1C#N 774813152 AEGWKSXHHQHBTI-UHFFFAOYSA-N 293.414 3.565 30 20 CHED C=CCC[C@@H](C(=O)OC[C@@H]1CCCOC1)c1ccccc1 778558471 AMDBHHUVSIZFES-NVXWUHKLSA-N 288.387 3.706 30 20 CHED N#CCCCCCC(=O)Nc1cccc(-c2ccon2)c1 887104690 QWBLCAZFGSHNAI-UHFFFAOYSA-N 283.331 3.754 30 20 CHED C=C(CC)COC(=O)c1cc(C(F)(F)F)ccc1F 773537169 YANDGXZTDOQLPU-UHFFFAOYSA-N 276.229 3.968 30 20 CHED C[C@H](C(=O)OCc1ccc(CC#N)cc1)c1ccsc1 776108377 RYWMFLJPQSCWNP-LBPRGKRZSA-N 285.368 3.661 30 20 CHED C#CCCCCCC(=O)NCCc1ccc(C)cc1C 779873840 KKGFJKNMSRBYEA-UHFFFAOYSA-N 271.404 3.546 30 20 CHED C#CCC1(C(=O)NCCCc2ccccc2)CCCCC1 788135729 HNUJIGVLVBPJAM-UHFFFAOYSA-N 283.415 3.709 30 20 CHED C#CCOc1ccccc1CNC[C@@H](SC)C(C)(C)C 784624623 ALYMHDPCWVESLI-MRXNPFEDSA-N 291.460 3.566 30 20 CHED C[C@H](CCC#N)Sc1nnc(-c2ccccc2)s1 789921756 YOTPACDIEOBDKC-SNVBAGLBSA-N 275.402 3.989 30 20 CHED CC(=NOC[C@@H]1CCOC1)C12CC3CC(CC(C3)C1)C2 788033672 KPSBFRSHEJRYAU-CWJHNBGESA-N 277.408 3.632 30 20 CHED C#CCC1(C(=O)OCc2csc(CC)n2)CCCCC1 788217143 AGUJOUHMTPCYNI-UHFFFAOYSA-N 291.416 3.723 30 20 CHED COc1ccc(OC(F)F)c(C=NNC2CCCCC2)c1 786043405 NVYDIACQDJYSAL-UHFFFAOYSA-N 298.333 3.553 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(C)c1 1461019602 PZMUHBAETUCXOS-WBVHZDCISA-N 256.393 3.925 30 20 CHED C=CCCN(OCc1ccccc1)c1nccc(C)c1C#N 782450540 XFJLCLULSUIGCQ-UHFFFAOYSA-N 293.370 3.776 30 20 CHED CCC(=NNc1ccnc(F)c1)c1cccc(F)c1 783525184 WGMOZIPSQXNAOU-UHFFFAOYSA-N 261.275 3.586 30 20 CHED N#Cc1csc(/C=C2/CCOc3cc(F)ccc3C2=O)c1 781554939 XVAIKKXZVWZPNS-WDZFZDKYSA-N 299.326 3.808 30 20 CHED CCCCCCCN1CCC(C)(c2nc(C)no2)CC1 781351274 VYDFEONHTHNRDO-UHFFFAOYSA-N 279.428 3.702 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNc1ncncc1Cl 780283063 PQPQKKPXLIDBAL-UHFFFAOYSA-N 295.173 3.846 30 20 CHED N#Cc1ccc(NN=Cc2cc(Cl)cs2)cc1 782199713 OJLJIPQLDRIPOD-UHFFFAOYSA-N 261.737 3.719 30 20 CHED C=C1CN(C(=O)[C@@H](CC)Cc2ccc(C(F)(F)F)cc2)C1 898700602 CMKGHAWZZSRBKQ-ZDUSSCGKSA-N 297.320 3.673 30 20 CHED COc1ccc(O)c(/C=N/CCCCc2ccccc2)c1 798068572 QLJBTOIJGSSQFX-XMHGGMMESA-N 283.371 3.843 30 20 CHED C[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C#N)C1 702313867 QQTHLHYECMNDSS-QWRGUYRKSA-N 276.767 3.976 30 20 CHED N#C[C@@H](C(=O)c1cc2ccccc2s1)c1ccccn1 41493225 RUIKRDUSNNIIMJ-GFCCVEGCSA-N 278.336 3.786 30 20 CHED CCOc1ccc(C=NNc2cccc(Cl)n2)cc1 793176081 YGEZWSJGJCNUGR-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(C)c(Cl)c(C)c1 799517098 KSMBIMRSLAPETN-UHFFFAOYSA-N 273.163 3.831 30 20 CHED c1ccc(NN=C2CCC[C@@H](c3cccnc3)C2)nc1 799869032 GIEWNODMGCPDCR-CYBMUJFWSA-N 266.348 3.602 30 20 CHED C[C@H](OC(=O)c1ccc(F)c(C#N)c1)c1ccccc1F 790921874 QAWLNADHHYYPTK-JTQLQIEISA-N 287.265 3.754 30 20 CHED COc1ccc(CCNN=C2CCC(C(F)F)CC2)cc1 799480884 AAWODQHRLXTRQZ-UHFFFAOYSA-N 296.361 3.639 30 20 CHED C#CCCN1CCC(C)(c2ccc(Cl)cc2)CC1 791549958 PGHFZAZFGMISCQ-UHFFFAOYSA-N 261.796 3.717 30 20 CHED N#Cc1c(Cl)nsc1NCCCc1ccccc1F 795270177 KPQYLWYKOQRLPE-UHFFFAOYSA-N 295.770 3.852 30 20 CHED Cc1cccnc1NN=Cc1cccc(-c2ccccn2)c1 790193810 OAAZPRBRBFDHLQ-UHFFFAOYSA-N 288.354 3.898 30 20 CHED N#CCCCOC(=O)c1cc2c(s1)CCCCCC2 794242537 IQTBSHBBKREATR-UHFFFAOYSA-N 277.389 3.868 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/CCCC(C)(C)C1=O 798370073 BFZQMBANDXYIHM-LCYFTJDESA-N 260.381 3.935 30 20 CHED Fc1cc(F)cc(NN=C2CCOc3cc(F)ccc32)c1 794900963 INWALXIQEBGSLO-UHFFFAOYSA-N 292.260 3.703 30 20 CHED C#C[C@@H](C)N(C)Cc1csc(-c2ccc(C)cc2)n1 769975825 MLMCSWZHSUUIQU-CYBMUJFWSA-N 270.401 3.572 30 20 CHED C=C(C)COCCN[C@H](C)c1cccc(C(F)(F)F)c1 90451212 FKWTXTIOBYUPOV-GFCCVEGCSA-N 287.325 3.949 30 20 CHED Cc1cc(C(=O)N(CCC#N)CC(C)C)nc2ccccc12 1318118620 VJKUAHKWOAINAG-UHFFFAOYSA-N 295.386 3.555 30 20 CHED CCCc1ccc(CON=CC(=O)Nc2ccccc2)cc1 1317986593 QROHBDONZPMXHW-UHFFFAOYSA-N 296.370 3.780 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cccc3cc[nH]c23)nn1 1326233708 BJVSUDDXIOTJQU-UHFFFAOYSA-N 293.374 3.701 30 20 CHED Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1C#N 1327030844 DKLABKQFOQZBJD-HOCLYGCPSA-N 282.387 3.519 30 20 CHED CC[C@H](c1ccccc1)c1nnc(C2(C#N)CCC2)o1 1327919482 NNYBUJOJHANTNH-CYBMUJFWSA-N 267.332 3.557 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cnoc1C 1322614431 IMJHMFHVOBZKEH-UHFFFAOYSA-N 263.728 3.781 30 20 CHED C=CC[C@@H](C)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1322942835 ZOZYZFSHFNSTSO-SNVBAGLBSA-N 276.767 3.824 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1oc2ccccc2c1C 1320592974 VOAGGCHQYLXAHD-QWHCGFSZSA-N 259.349 3.593 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CC[C@@H](C)c1ccccc1 1337717167 VXMYZIKGPXDSTJ-ZBFHGGJFSA-N 272.392 3.721 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1 1336217584 MVMFULYWMAMQLN-OAHLLOKOSA-N 296.370 3.912 30 20 CHED CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(C)c(F)c1 1192881562 VYKXBQAKPLBLKC-NOLJZWGESA-N 260.356 3.867 30 20 CHED C=C(Cl)CN(CCC)[C@@H]1C[C@@H](OCC)C1(C)C 1191099119 IUJQKJVPPLCZIG-CHWSQXEVSA-N 259.821 3.655 30 20 CHED N#C[C@@H](C(=O)[C@H]1CC12CCC2)c1nc2cccc(Cl)c2[nH]1 1349759822 CSEZYTXUIINESV-VHSXEESVSA-N 299.761 3.583 30 20 CHED CC1(C)CC=C(C(=O)O[C@H](CC#N)c2ccco2)CC1 1345981406 IDFAMNOIVKEXPD-CQSZACIVSA-N 273.332 3.914 30 20 CHED C=C1CC(c2noc([C@H](C)c3ccc(F)cc3F)n2)C1 1262115775 LZCTXLYMNJGWLT-SECBINFHSA-N 276.286 3.933 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1cccc(NC(=O)C2CC2)c1 1341868732 IUORVXRAJPDVII-LBPRGKRZSA-N 287.359 3.543 30 20 CHED C=C(C)CCC(=O)NCc1ccc2sccc2c1 1262625946 ZKFXTLJSELBFCK-UHFFFAOYSA-N 259.374 3.874 30 20 CHED CCSc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)CC#N 1355146125 XLLMRRQWYKGDBP-JTQLQIEISA-N 296.823 3.826 30 20 CHED N#Cc1cc(C(=O)NCc2csc3ccccc23)cs1 1355159137 AJVRYHWFONVAMJ-UHFFFAOYSA-N 298.392 3.764 30 20 CHED N#CC[C@@H](O)CN[C@H](CC1CCCCC1)c1ccccc1 1354473312 XLQCPVICPRTMOB-QZTJIDSGSA-N 286.419 3.562 30 20 CHED CC(C)[C@@H](C(=O)O[C@H](CC#N)c1ccco1)c1cccnc1 1350311382 KBHNPURIKAUAQT-HZPDHXFCSA-N 298.342 3.612 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)cc1F 1436533392 GSZOMEZFRHKQSY-KGLIPLIRSA-N 288.366 3.644 30 20 CHED C[C@@H](OC(=O)C[C@H]1CCC[C@H]1C)c1cccc(C#N)c1 1457762672 OQXOSLUMUAWTEU-UMVBOHGHSA-N 271.360 3.989 30 20 CHED C=C(CC)C(=O)N1CCC2(CC1)C(C)=Nc1ccccc12 1528518360 VYRPENTUAFARMR-UHFFFAOYSA-N 282.387 3.619 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)cc1C#N 1521087672 XJBJOJKZVFIYDK-RHSMWYFYSA-N 284.403 3.811 30 20 CHED N#Cc1ccccc1SC[C@H]1CCCC[C@H]1C(=O)O 1601127913 YROFIOMUQDQCEZ-CHWSQXEVSA-N 275.373 3.541 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1ccc(OCC#N)cc1 226170243 SALNXQLCQGEFGQ-KEYYUXOJSA-N 272.392 3.503 30 20 CHED N#Cc1cc(F)cc(NC(=O)Cc2coc3ccccc23)c1 1535371957 SYNVXFPXYGCRFP-UHFFFAOYSA-N 294.285 3.625 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cc(C(=O)O)n(C)c2)cc1C 1600147367 QWIVRUHXGOEWFG-WAYWQWQTSA-N 297.354 3.545 30 20 CHED N#Cc1ccc(CCSc2ccc(C(=O)O)cc2)cc1 1608204718 NWPSVGGTYZNJIC-UHFFFAOYSA-N 283.352 3.591 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(C(=O)O)co1 1602842529 JJHZNZCSSFPGRR-CJNGLKHVSA-N 299.370 3.816 30 20 CHED CO[C@H](CSc1nc(C)cc(C)c1C#N)CC(C)C 1472918925 SZUCDWKKDGDDDM-ZDUSSCGKSA-N 278.421 3.723 30 20 CHED COc1ccc([C@@H](C)Sc2ccncc2C#N)cc1 1611872352 HMFDZXQUCDIHOG-LLVKDONJSA-N 270.357 3.815 30 20 CHED CC[C@H](C#N)C(=O)NCC1(c2cccc(C)c2)CCCCC1 1544360264 YKIRFQFIVNYZAI-MRXNPFEDSA-N 298.430 3.863 30 20 CHED CC(=O)c1cccc(OCc2ccc(C#N)s2)c1F 1473083702 VNEMBSWTDYWNTR-UHFFFAOYSA-N 275.304 3.540 30 20 CHED N#Cc1ccc(S[C@@H](C#N)Cc2ccccc2)cc1 1559361822 LXURYDFUJREWOS-MRXNPFEDSA-N 264.353 3.785 30 20 CHED COc1ccc([C@H](C)CCNc2cc(C)c(C#N)cn2)cc1 1559105117 IJPHYSNHLLYGQV-CYBMUJFWSA-N 295.386 3.876 30 20 CHED C#CCCCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F 229738449 MFRWEIDNPBUJBH-UHFFFAOYSA-N 286.253 3.829 30 20 CHED CC[C@H]1CCCC[C@H]1CNc1ncc(C#N)cc1F 1642734450 GKWVVOXNRCPZOY-STQMWFEESA-N 261.344 3.721 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H](CC(C)C)C1 1644940201 SWDXECLPNPCIFA-INIZCTEOSA-N 286.419 3.825 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc2cc(C(=O)O)oc2c1 1573347843 OWQLMXROJCCPDQ-SNVBAGLBSA-N 288.299 3.639 30 20 CHED N#Cc1ccc(F)c(CSCc2ccncc2)c1 1641454921 IPOAUQNTBKYEFC-UHFFFAOYSA-N 258.321 3.526 30 20 CHED CCCOc1cc(C)ccc1CNc1cc(C)c(C#N)cn1 1655238994 YHXBODZGGIPFPD-UHFFFAOYSA-N 295.386 3.971 30 20 CHED Cc1cccc(C)c1CN(C)c1nc(Cl)c(C#N)s1 1655900433 XWDTVQNTKGGNNQ-UHFFFAOYSA-N 291.807 3.921 30 20 CHED C=C(Cl)CN1CCc2cc(OCCC)ccc2C1 1652954268 GZKMKQDSHMUBQZ-UHFFFAOYSA-N 265.784 3.586 30 20 CHED C#CCCCCCCNc1cc(C(=O)O)c(C)cc1C 1588442738 WEVQQRUWQWVGSU-UHFFFAOYSA-N 273.376 3.997 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2cc(C#N)cs2)C1 1583955181 BGMMUXSKSUPFND-LLVKDONJSA-N 276.405 3.566 30 20 CHED C[C@H](Nc1cc(C#N)cnn1)c1cccc(Cl)c1Cl 1655166975 CXTZNGQKNHHMBO-QMMMGPOBSA-N 293.157 3.828 30 20 CHED CCc1ccc2c(c1)CCN2Cc1ccc(C#N)s1 1655055788 TYIQJITXGDMKSB-UHFFFAOYSA-N 268.385 3.745 30 20 CHED Cc1ccc(C(C)(C)CNc2ccc(C#N)cn2)c(C)c1 1655512811 YTIRLGJMAGPIPT-UHFFFAOYSA-N 279.387 3.960 30 20 CHED Cc1csc(NC(=O)N[C@H]2CC23CCCCC3)c1C#N 1677351334 HCXKTNHYMCLMEL-LBPRGKRZSA-N 289.404 3.773 30 20 CHED CCCC1CCC(=NNc2ccc(C(=O)O)nc2)CC1 1776068691 SURZLJFRCDAMIP-UHFFFAOYSA-N 275.352 3.538 30 20 CHED Cc1cccc(NN=Cc2cccc(C(=O)O)c2)c1Cl 1776106407 DUOHBMIYKQFECB-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C=CCCC[C@@H](NCc1cccc(C(F)F)c1)C(=O)O 1776172436 ZCPONQUKBCUANH-CYBMUJFWSA-N 283.318 3.523 30 20 CHED C=CC[C@@H](NCc1ccc(-c2ccsc2)cc1)C(=O)O 1776152406 XCBZYYHTWKHRHU-OAHLLOKOSA-N 287.384 3.534 30 20 CHED N#Cc1ccc(COc2cccc(Br)c2)cc1 11834317 DGPJZUOYDJSHLB-UHFFFAOYSA-N 288.144 3.900 30 20 CHED Cc1cc(C#N)ccc1COc1ccc([N+](=O)[O-])cc1C 165571412 XYBGNWUVJQYNJA-UHFFFAOYSA-N 282.299 3.662 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(C(C)(C)C)s1 151298440 INWVIBJJVNDNPB-OAHLLOKOSA-N 278.421 3.714 30 20 CHED CC[C@H](C#N)Oc1cccc(CNC[C@H]2C[C@H]3C=C[C@H]2C3)c1 156122293 KKTUKFYBHQRBFY-DZJNRPSUSA-N 296.414 3.669 30 20 CHED CC#CCCSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 155679471 ZPLZWLNIAGNKJY-GXTWGEPZSA-N 277.437 3.843 30 20 CHED C[C@H](SC1=N[C@H](C)CS1)c1ccc(C#N)cc1 155379380 WJFAOMPADMMZNV-ZJUUUORDSA-N 262.403 3.844 30 20 CHED C[C@@H]1CC(Nc2ccc(C(F)(F)F)cc2C#N)C[C@@H](C)O1 157849624 REHDWXDWJIENPI-NXEZZACHSA-N 298.308 3.945 30 20 CHED CCC[C@@H](C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(C)C 159890442 ZKWNRJHUSSDTST-CYBMUJFWSA-N 290.411 3.521 30 20 CHED CC(C)C1CCC(NCc2cccc(C#N)c2)CC1 54555985 KFUHEBJSKQHOMN-UHFFFAOYSA-N 256.393 3.863 30 20 CHED CC(C)(NCCCC#N)c1ccc(Br)cc1 309677443 MFTQHNCFUHESCK-UHFFFAOYSA-N 281.197 3.578 30 20 CHED CCCCC1CCC(C(=O)N2CCC[C@H](C#N)C2)CC1 79825911 AHAUEIWIKNWZKJ-HWOWSKLDSA-N 276.424 3.745 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H](CO)CC1 378755740 SCXGSQOZVNPJQQ-MRXNPFEDSA-N 283.456 3.748 30 20 CHED C[C@@H]1CCN(CCCCC(C)(C)C#N)CCS1 380383765 UHJAJFJIDJRNCE-CYBMUJFWSA-N 254.443 3.534 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 716915796 KJNHUXNDWFDPSP-GBIKHYSHSA-N 274.751 3.586 30 20 CHED C=CCCCCCCN[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 386605775 AVOGDFHQJQOHSA-XUWVNRHRSA-N 251.414 3.669 30 20 CHED CCCCN(CCC(C)(C)C#N)CC(F)(F)F 387032155 OSEPJVATPKNUCV-UHFFFAOYSA-N 250.308 3.591 30 20 CHED C[C@@H](C=NN1C(=O)c2ccccc2C1=O)CC1CCCCC1 758069289 UONDIAMWUMWKHG-CYBMUJFWSA-N 298.386 3.875 30 20 CHED N#Cc1ccncc1NC[C@H]1CCCC[C@@H]1C(F)(F)F 340934304 MNCSDXPQXOPSBG-NEPJUHHUSA-N 283.297 3.734 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)c2ccccc2F)c1 108972241 NFSQPKWBVQJRJX-CYBMUJFWSA-N 281.330 3.574 30 20 CHED Cc1cc(C(=O)N(CCC#N)CCC(C)C)sc1C 103440369 BSVNNKPAUFYRBO-UHFFFAOYSA-N 278.421 3.767 30 20 CHED CCCCCCCC(=O)Oc1cccc(C(=O)O)c1 100149871 HFRHBDRTQGWNHK-UHFFFAOYSA-N 264.321 3.651 30 20 CHED C[C@@H]1Cc2ccccc2[C@H]1NCc1cccc(C#N)c1 111410806 GDQUSCYXYPYWJC-ACJLOTCBSA-N 262.356 3.581 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1ccc(C#N)cc1F 226127158 AYOWJMUCTQUVFP-ZIAGYGMSSA-N 264.369 3.783 30 20 CHED Cc1c(NC(=O)c2ccccc2)cccc1N[C@@H](C)C#N 55155312 BNNKTWAWSJFZHH-LBPRGKRZSA-N 279.343 3.571 30 20 CHED N#Cc1cccc(NC(=O)C2(Cc3ccccc3)CC2)c1 176819991 BSESTABAVAIESF-UHFFFAOYSA-N 276.339 3.520 30 20 CHED CC[C@H](OC1CCCC1)C(=O)Nc1cccc(C#N)c1C 178641281 PEAQJKOAKMQMRZ-INIZCTEOSA-N 286.375 3.543 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cccc(F)c1 175315474 OUXKUZRUMYCPBL-SNAWJCMRSA-N 278.229 3.706 30 20 CHED O=C(CC(F)(F)F)Nc1ccc(F)cc1C(F)(F)F 102738774 NAUSITKRNVWJRN-UHFFFAOYSA-N 289.150 3.735 30 20 CHED CC1(CNc2cc(Br)c(C#N)cc2F)CC1 309505989 PMCWSYCFJLCMCE-UHFFFAOYSA-N 283.144 3.672 30 20 CHED N#Cc1ccc(CCC(=O)NCCCC2CCCCC2)cc1 29227944 XUYVPOOJCBRNGF-UHFFFAOYSA-N 298.430 3.968 30 20 CHED C=CCn1c(C)nnc1S[C@H]1CCc2ccc(F)cc21 178408858 PZFFYCUZONVZBY-AWEZNQCLSA-N 289.379 3.691 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1COc1ccccc1 116850672 WXYYSVMYEJOKMX-HNNXBMFYSA-N 295.382 3.960 30 20 CHED CC1(C)CCC[C@H](C(=O)N(CCC#N)Cc2cccnc2)C1 179367040 WTOXZRZQPSDPJA-INIZCTEOSA-N 299.418 3.540 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 113336454 JZYPDUJNYCCUIG-HNNXBMFYSA-N 295.382 3.645 30 20 CHED CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(C#N)cc1 172007869 JUWWSXUWUCXYDV-UHFFFAOYSA-N 298.773 3.526 30 20 CHED C[C@H](CNc1ccc(F)cc1C#N)Oc1cccc(F)c1 301466818 QGTONUPEPDHXIQ-LLVKDONJSA-N 288.297 3.716 30 20 CHED C=CCCCCNCc1csc(C(C)(C)C)n1 310394921 SHHYXZIMWCNBAS-UHFFFAOYSA-N 252.427 3.887 30 20 CHED C=CCCC(=O)Nc1nc(Sc2ccccc2)ns1 110768665 OVIPTDABSSPMNA-UHFFFAOYSA-N 291.401 3.594 30 20 CHED COCc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1 113533584 HQXHMZYMWUCFSI-UHFFFAOYSA-N 295.342 3.543 30 20 CHED CCS[C@@H]1CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1 176703953 BVOUXNBXQWBNKA-UONOGXRCSA-N 294.464 3.641 30 20 CHED C=CCC[C@H](NCc1cccnc1OC)c1ccccc1 178756575 DYGVGIFYISYLPF-KRWDZBQOSA-N 282.387 3.887 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1 175158614 SVTFDRFTIDQVAQ-UYAOXDASSA-N 287.362 3.511 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2ncccc2c1 178632697 ZKOWUNRONATSHA-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#Cc1cccnc1Nc1cccc(N2CCCCC2)c1 301542705 ONODZLGYZPKIAF-UHFFFAOYSA-N 278.359 3.687 30 20 CHED C[C@H](CNCc1ccc(C#N)s1)Sc1ccccc1 176978517 UXBTWJKWPYAYFM-GFCCVEGCSA-N 288.441 3.890 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1C 116805754 JJLGZAUVUOFNHR-PXAZEXFGSA-N 270.376 3.506 30 20 CHED C=CCCCC(=O)N(C)[C@@H](C)c1sc(C)nc1C 175595313 SMEUJSUXNHKIAH-NSHDSACASA-N 266.410 3.636 30 20 CHED C=CCN(CC=C)C(=O)c1cc2ccccc2s1 60866717 ITJPSNYRSKNFGD-UHFFFAOYSA-N 257.358 3.716 30 20 CHED CCOCCC/N=C/c1cc(Cl)cc(Cl)c1O 60803133 RDEYWNDUXSUYKS-OVCLIPMQSA-N 276.163 3.545 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2csc3ccccc23)C1 179862521 YXKLXCUQNCBXBC-GHMZBOCLSA-N 271.341 3.750 30 20 CHED C=C(C)CSCC(=O)c1cc(C)n([C@H](C)COC)c1C 177870761 LUCOSMRHABVBFY-CYBMUJFWSA-N 295.448 3.804 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Cl)c(Cl)cc1OC 176750138 RFLWXPLAWZENGE-QMMMGPOBSA-N 288.174 3.696 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@H]2CCC[C@H](O)C2)c1 125409683 PHHANRUTWLCZMQ-RYUDHWBXSA-N 298.308 3.540 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCOc1ccc(C#N)cc1 303709394 PMDADFYJERISSM-KYJSFNMBSA-N 284.403 3.590 30 20 CHED C=C(C)COc1cccc(NCc2cccn2C)c1 129259030 HENZQAGOIBIQEV-UHFFFAOYSA-N 256.349 3.592 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(OC)cc(OC)c1 124457969 RJVGFSXQVXJHNF-GFCCVEGCSA-N 292.379 3.570 30 20 CHED Cc1ccc(N(C)CCCSCC#N)cc1Cl 72518238 XZLJIPRTLLURBR-UHFFFAOYSA-N 268.813 3.732 30 20 CHED Cc1cc(Cl)c(C(=O)N(CCC#N)CC2CC2)cc1C 180709768 BCSIMNORRUSCQZ-UHFFFAOYSA-N 290.794 3.723 30 20 CHED C[C@@H](NCc1cnc2ccccc2c1)c1ccc(C#N)cc1 317301536 RXQNPCUFHQLISO-CQSZACIVSA-N 287.366 3.957 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc2c1CCNC2=O 414347164 QUJZUHBVEXEGEA-CYBMUJFWSA-N 272.392 3.519 30 20 CHED N#CCc1ccc(NC(=O)c2coc3ccccc23)cc1 70379595 PDPMGSDLODXILJ-UHFFFAOYSA-N 276.295 3.751 30 20 CHED COc1ccc(N[C@H]2CCC[C@H](C#N)C2)c2cccnc12 185889101 YOIMFKBGAZEWGH-STQMWFEESA-N 281.359 3.738 30 20 CHED C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CCC1 128411733 ZQCQMSKKWGZWRF-BBRMVZONSA-N 285.391 3.519 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(CC#N)cc1 78247926 GVFQMHAOPLXRQS-CQSZACIVSA-N 293.370 3.978 30 20 CHED C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccccc1 79379993 APKNZWQGEPDPEB-CYBMUJFWSA-N 296.395 3.793 30 20 CHED CC(=O)Nc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1 36972977 BADXXOLHGBADTQ-UHFFFAOYSA-N 299.761 3.782 30 20 CHED C#Cc1cccc(N(C(=O)c2ccc(Cl)o2)C(C)C)c1 77293792 VARZTOHVPJJZSJ-UHFFFAOYSA-N 287.746 3.970 30 20 CHED N#CC1(CC[S@](=O)C2CCCC2)CCCCC1 414230778 OGYVVHWYTPZWLE-KRWDZBQOSA-N 253.411 3.542 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H](C)C1 508992588 ANGMANBRCVDGFD-OKILXGFUSA-N 290.455 3.535 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 79546058 AUFSOXLSZNHLCS-LBPRGKRZSA-N 261.365 3.558 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1F)c1ccc(C)cc1 413028124 OHQUAODFFWYVSC-HNNXBMFYSA-N 269.323 3.964 30 20 CHED C#CCN(C(=O)c1csc(C(C)C)n1)C1CCCCC1 490605788 USPNHHFXHZYQSJ-UHFFFAOYSA-N 290.432 3.675 30 20 CHED CC(C)Cn1cc(/C=C/C(=O)c2ccc(F)cc2F)cn1 180713363 UAQKFOFZFTYLRO-ZZXKWVIFSA-N 290.313 3.713 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)C(C)(F)F 410969762 QDWGMAPZFNZMQW-MRVPVSSYSA-N 286.709 3.636 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCCCC(C)(C)C#N 182549899 RENAPAGPUYLJLR-ZDUSSCGKSA-N 271.364 3.719 30 20 CHED CCc1nnc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c(C#N)c1CC 124988770 VFQMIKRIUCDDSM-JHJVBQTASA-N 286.423 3.710 30 20 CHED C=CCC1(C(=O)N[C@H](C)CCc2ccc(O)cc2)CCC1 189540137 XFDZKBHCEDHRPQ-CQSZACIVSA-N 287.403 3.576 30 20 CHED Cc1cscc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 79172969 BKZUGOJNBVKTRU-NSHDSACASA-N 271.341 3.846 30 20 CHED CC(C)[C@@H]1N(C[C@H](C#N)CCC#N)CC12CCCCC2 414133190 BPDVMUXFRHOZFN-HOTGVXAUSA-N 273.424 3.721 30 20 CHED Cc1ccc(CCN[C@@H](C)c2cccc(C#N)c2)cc1 181978611 MYQQTSFHMJUNER-HNNXBMFYSA-N 264.372 3.760 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(F)cc1N(C)C 180950457 KWXLGSUATPHWLW-NEPJUHHUSA-N 250.361 3.507 30 20 CHED C[C@H](NCCc1c(F)cccc1F)c1cccc(C#N)c1 181533483 JFHNYVUJIHJJHI-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1cc2ccccc2o1 79321960 XXACGCKPTIBWCW-CYBMUJFWSA-N 287.359 3.593 30 20 CHED CCCCCCCN[C@H](C[S@](C)=O)c1ccccc1 183107648 XENWHDBYVIEGLT-APWZRJJASA-N 281.465 3.666 30 20 CHED C=CCc1ccccc1OCCOCC(F)(F)C(F)F 189206666 DFRSZKRBWTYATN-UHFFFAOYSA-N 292.272 3.711 30 20 CHED C=CCC[C@@H](C(=O)Nc1cnccc1OC)c1ccccc1 188852877 TYAXAZAUNZURPE-OAHLLOKOSA-N 296.370 3.779 30 20 CHED CCCC(=O)Nc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 185781370 MKNJVZWFNXXBJN-RDJZCZTQSA-N 299.418 3.597 30 20 CHED C=CCCCC(=O)NCc1ccc(Cl)c(C)c1 183863542 MJIVCFMTNUMZPA-UHFFFAOYSA-N 251.757 3.621 30 20 CHED CSc1cccc(N(C)Cc2ccc(C#N)o2)c1 184750368 DNKYAMZRJGUEFJ-UHFFFAOYSA-N 258.346 3.510 30 20 CHED CCCCN(CCOC)Cc1ccccc1C(C)(C)C#N 135213272 OGEPRTKQBIVDRM-UHFFFAOYSA-N 288.435 3.736 30 20 CHED C[C@@H](CCC#N)N(C)CCCOc1ccc(Cl)cc1 411178144 KVIUTVNWOMWGCD-ZDUSSCGKSA-N 280.799 3.733 30 20 CHED Cc1ccccc1[C@@H]1CN(c2cccc(F)c2C#N)CCO1 78367360 JVGUKRFCFQGAQO-SFHVURJKSA-N 296.345 3.584 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCC[C@H]2CC)CC1 181746589 QWWSITGXPCDCKF-WBVHZDCISA-N 264.457 3.585 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(CCSC)cc1 185442272 RARXZKLUDYGBFK-UHFFFAOYSA-N 275.417 3.580 30 20 CHED C=C(C)COCCNCc1cnc(-c2ccsc2)s1 134507718 YCHZMOBWXXHEHO-UHFFFAOYSA-N 294.445 3.554 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)[C@H](C)C[C@@H](C)C2 411006816 FCXKMFJGYGOZII-NXEZZACHSA-N 276.405 3.900 30 20 CHED CC(C)[C@H]1CC[C@H](/C(O)=N/CCc2csc(O)n2)CC1 329534839 YYLMHUSXBIPWHL-HAQNSBGRSA-N 296.436 3.810 30 20 CHED CC#CCCN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 502810511 VSJAZKIWBITLIG-QZTJIDSGSA-N 251.373 3.720 30 20 CHED C=C(C)COCCN[C@@H](C)c1csc(Cl)c1 191380757 YFEZGYXTZZUPPI-JTQLQIEISA-N 259.802 3.645 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccncc2)CC1 191664344 IZKSPSMMHYBAFN-HNNXBMFYSA-N 291.398 3.894 30 20 CHED C[C@H](CC1CCCCC1)/C(O)=N/[C@H]1CCc2c[nH]nc2C1 329887731 XVIPOUWRKWZCFP-DOMZBBRYSA-N 289.423 3.830 30 20 CHED C=CCSCCN[C@H]1CCc2cc(Cl)ccc21 221939007 KILFEQJYZBGPHW-AWEZNQCLSA-N 267.825 3.836 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(C#N)cc1 42099850 QPCOMCZTCMWLFS-LLVKDONJSA-N 292.298 3.511 30 20 CHED CCn1c(N=C(O)[C@H]2CCC(=O)[C@@H](C)C2)nc2ccccc21 328951228 XDZAVAJIZFJKLX-RYUDHWBXSA-N 299.374 3.650 30 20 CHED C[C@H](O)CN(CC#Cc1ccc(Cl)cc1)c1ccccc1 427018084 YUTIHNVIZREZGN-HNNXBMFYSA-N 299.801 3.579 30 20 CHED C=CCC1(C(=O)NCc2ccc(C#N)s2)CCCCC1 421605221 UIRSPIQZJUOVKT-UHFFFAOYSA-N 288.416 3.763 30 20 CHED C[C@@H](NCCCc1ccccc1)c1ccc(OCC#N)cc1 192934634 UILFJCIBZJGIQM-MRXNPFEDSA-N 294.398 3.872 30 20 CHED Cc1cc(C#N)ccc1CN1CCC(c2ccncc2)CC1 191664323 BRNYOWJCRHCATP-UHFFFAOYSA-N 291.398 3.641 30 20 CHED CC(C)CC1(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCCC1 425464724 LKUYALJBZWMTNP-LSDHHAIUSA-N 291.439 3.584 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1nc(C(C)C)cs1 425919857 GQUFOAHPFKDLPH-GFCCVEGCSA-N 293.436 3.517 30 20 CHED CC(C)(CCC#N)CNCCSc1ccccc1 135132982 YNCGEFIVYWTTJQ-UHFFFAOYSA-N 262.422 3.698 30 20 CHED Cc1ccc(CN(C)c2nc(Cl)c(C#N)s2)s1 287884635 NGMSAKUFOKMZSV-UHFFFAOYSA-N 283.809 3.675 30 20 CHED Cc1cc(OCCCC(C)(C)C#N)ccc1[N+](=O)[O-] 87609020 CYCYQSFDWXVIFK-UHFFFAOYSA-N 262.309 3.612 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCOc2ccccc21 134475130 RAEWQZJQBCKLOX-LBPRGKRZSA-N 282.318 3.676 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)CCc2ccc(C#N)cc2)C1 193288779 YHGSTRCYQHGSMD-WMLDXEAASA-N 284.403 3.528 30 20 CHED Cc1nc2ccc(N=C(O)C[C@H]3CCOC3)cc2s1 329776836 KDWGRLGWNIQZLB-SNVBAGLBSA-N 276.361 3.619 30 20 CHED CS[C@@H]1CCC[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])C1 425228537 KIYSBKQTQJOIJF-NWDGAFQWSA-N 291.376 3.553 30 20 CHED CCN(CCC1(OC)CCC1)[C@@H](C)c1ccc(C#N)cc1 338927126 UNKDTMIGQOXTFX-HNNXBMFYSA-N 286.419 3.900 30 20 CHED CC[C@H](/N=C(/O)c1ccc(NC(C)C)nc1)C(C)C 331134780 CEGOIJZCMBQDFI-ZDUSSCGKSA-N 263.385 3.641 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CCCCS2)c(Cl)c1 334528381 ZJVHWHLORKCCBO-ZDUSSCGKSA-N 294.807 3.630 30 20 CHED Cc1csc(NC(=O)[C@H](C)c2ccccc2)c1C#N 335136252 WNNVBNZOOJASPQ-LLVKDONJSA-N 270.357 3.670 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(COC)cc1 192559968 NGMCOVWEBGQFQX-CYBMUJFWSA-N 276.380 3.699 30 20 CHED CCN(Cc1ccnc(OC)c1)[C@@H](C)c1ccc(C#N)cc1 339864227 ARCPZCPXNCVJKV-AWEZNQCLSA-N 295.386 3.545 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1scnc1C 92217555 BLSCSFKBHABAHH-UHFFFAOYSA-N 288.416 3.648 30 20 CHED N#Cc1cccnc1/C=C/c1cnc(C2CCC2)s1 334528598 NQOYPMBZEPUEFV-VOTSOKGWSA-N 267.357 3.848 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1C(F)(F)F 429809498 JKNIBDYFBLWRLI-UHFFFAOYSA-N 285.309 3.924 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC[C@@H](C(C)(C)C)CC1 331897868 DYONEUDSGNEOLO-CQSZACIVSA-N 293.455 3.784 30 20 CHED C[C@H]1Oc2ccccc2[C@H]1NC1CCC(C)(C#N)CC1 336222679 BDWWTHQIRRLESY-BKEMPNMISA-N 270.376 3.571 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)cc1 336063509 YHAAXPXSDHVDRD-DOMZBBRYSA-N 283.375 3.504 30 20 CHED CCc1oc2ccccc2c1CN[C@@H]1CC[C@H](C#N)C1 424208664 YOGNOLWZPVZMMK-QWHCGFSZSA-N 268.360 3.777 30 20 CHED C#CCOc1ccc(CNC[C@@H]2C[C@H]2c2ccccc2)cc1 236692469 CMPQMVPPYPPPEF-ICSRJNTNSA-N 291.394 3.592 30 20 CHED N#CCCCOc1cccc(NCc2cc(C#N)cs2)c1 93492490 DIIPGQZTVNEBNP-UHFFFAOYSA-N 297.383 3.914 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CC2CCC1CC2 339929194 OTIDEVHLPPQYMO-UYSNPLJNSA-N 276.424 3.601 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)NCCc2cccc(C#N)c2)CC1 330482202 STWKWVAPZUZMFD-IYARVYRRSA-N 298.430 3.679 30 20 CHED CCN(CCC#N)Cc1csc(Cl)c1Cl 432747007 LECCSEGPRWFWKO-UHFFFAOYSA-N 263.193 3.790 30 20 CHED N#Cc1ccc(Cn2nccc2-c2ccncc2)c(Cl)c1 438909714 DSYOVLBGKMQRSD-UHFFFAOYSA-N 294.745 3.518 30 20 CHED C[C@H](CC#N)N(C)Cc1nc(-c2ccccc2)cs1 93090749 NSFXDEZXMMAQGL-GFCCVEGCSA-N 271.389 3.544 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(c2ccnc(C#N)c2)C2CC2)o1 339975085 YLTOJBYOEWLNMI-YVEFUNNKSA-N 293.370 3.839 30 20 CHED N#C[C@@H](NC(=O)c1ccoc1)c1c(Cl)cccc1Cl 334370167 VNTCTOKTGZQNRV-LLVKDONJSA-N 295.125 3.581 30 20 CHED C=CCCCCCN1CCCCC[C@H]1C[C@@H](C)O 235227138 OAIZHXQVHCDUHU-CVEARBPZSA-N 253.430 3.748 30 20 CHED C=CC[C@H](C)NC(=O)c1ncsc1-c1ccccc1 438002754 QBCWPQXEYQTMGO-NSHDSACASA-N 272.373 3.505 30 20 CHED CCN(C[C@H](C)C#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 437581386 PIHJQNGFLABWMO-KBAYOESNSA-N 270.420 3.978 30 20 CHED N#CCC[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 246986952 WFERSJUDEJRBBQ-QSPRXWTASA-N 282.387 3.584 30 20 CHED CCC[C@@H](C#N)NC(=O)c1c(-c2ccccc2)oc(C)c1C 527079127 XYEPBWSPBHDCAX-HNNXBMFYSA-N 296.370 3.986 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)c1ccc2[nH]ccc2c1 437168169 PSGPNAHGYLNUJN-UHFFFAOYSA-N 293.326 3.608 30 20 CHED CSc1cc(C)ccc1CNc1cc(C#N)ccn1 342509958 LLVPKMBHEYPYEE-UHFFFAOYSA-N 269.373 3.596 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(C)cc(F)c1 439436311 IDUHVOSYUFONRE-LBPRGKRZSA-N 250.317 3.610 30 20 CHED Cc1cc(C(=O)Nc2scc(C)c2C#N)sc1C 344886336 DGBBALURTABQKF-UHFFFAOYSA-N 276.386 3.859 30 20 CHED C[C@@H]1CN(C[C@H](C#N)CCC#N)CC[C@H]1c1ccccc1 247047227 VPRITBLRRWQEJQ-SOLBZPMBSA-N 281.403 3.556 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCc2ccccc21 347315343 OPHXQLHOEMYREW-ZDUSSCGKSA-N 266.319 3.839 30 20 CHED C[C@H](CCC#N)CNCc1ccc(F)cc1C(F)(F)F 602514810 MFAYXCZGGWGLLA-SNVBAGLBSA-N 288.288 3.874 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1nnn(-c2ccccc2)c1C 343511164 SUKBYJPXFXBMEZ-ZFWWWQNUSA-N 284.407 3.581 30 20 CHED Oc1nc2ccccc2cc1C=Nc1ccc2c(c1)COC2 255545983 ZAWOXNOGNYSVST-UHFFFAOYSA-N 290.322 3.721 30 20 CHED COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1C#N 443033212 DZSWTDLUEIDKLN-UHFFFAOYSA-N 277.327 3.727 30 20 CHED Cc1ccccc1C=NOCc1cnc(Cl)s1 255498761 HBMHOZOAUUQCDO-UHFFFAOYSA-N 266.753 3.656 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccc(F)cc2)o1 449522324 VFRGCYWCOVRIJD-CVEARBPZSA-N 287.334 3.519 30 20 CHED Cc1cc(CNCc2ccc(Cl)cc2F)ccc1C#N 443997176 LPXSKRBLYXCVEY-UHFFFAOYSA-N 288.753 3.949 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(C#N)s1 255479880 WBTAUDWBPQFWND-VURMDHGXSA-N 253.326 3.824 30 20 CHED C=CC(C)(C)CNCc1ccc(C)cc1-c1ccnn1C 449486727 UXUVBCUICUCBBA-UHFFFAOYSA-N 283.419 3.697 30 20 CHED C=C[C@@H](CO)N[C@@H]1CCCc2c(Cl)sc(Cl)c21 353564720 HUIRYXQAPMFNHP-IONNQARKSA-N 292.231 3.569 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(F)cc1 255180824 MBURZEOTVQOZDK-XFSBKJJWSA-N 260.239 3.567 30 20 CHED C[C@@H](CC#N)N(C)Cc1cnc(-c2ccccc2F)s1 449022360 IKBBKHTYARMGRK-NSHDSACASA-N 289.379 3.683 30 20 CHED CCN(CC)[C@@H](CNC1CCC(C)(C#N)CC1)CC(C)C 449074977 LXQSRNFFCNSHDB-LXPRWKDFSA-N 293.499 3.805 30 20 CHED C=CC1CCN(Cc2ccc(OCC)c(OCC)c2)CC1 538729901 IABUXCGHRFUQRW-UHFFFAOYSA-N 289.419 3.882 30 20 CHED N#CCc1ccccc1C(=O)N1CC[C@H](C2CCCCC2)C1 601668819 BYJMUMIUTRIDIF-KRWDZBQOSA-N 296.414 3.795 30 20 CHED C=CCCC(=O)N1CCCCC[C@@H]1CC(=O)c1ccco1 268396901 DYRKRTSZAMTEFF-CQSZACIVSA-N 289.375 3.590 30 20 CHED C=CCCN[C@@H](C)[C@@H](OC)c1ccccc1Cl 537588727 ILSLYKDUSKFVAC-SMDDNHRTSA-N 253.773 3.582 30 20 CHED CC[C@@H]1CCCCN1C(=O)C[C@H](CC#N)c1ccccc1 353310908 HFHRYOMIWCYMKI-DLBZAZTESA-N 284.403 3.865 30 20 CHED CCOc1ccc(CN(CCC#N)C(C)C)cc1OCC 536645273 HLNPTDWUCQZGHQ-UHFFFAOYSA-N 290.407 3.608 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H](C)c1cccc(O)c1 269607530 QMDPDZYWWDQUKS-ZDUSSCGKSA-N 273.376 3.680 30 20 CHED N#CC[C@H](CC(=O)Nc1cc(F)ccc1O)c1ccccc1 356585764 ZABDDLFKUMRWNS-CYBMUJFWSA-N 298.317 3.557 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)[C@H](C)c1ccccc1)OCC 535966391 YGBDGGQJKHBFEA-ZOBUZTSGSA-N 289.419 3.666 30 20 CHED CCCCCCCCCC(=O)NCc1ncc(C)o1 267261027 TXTIPHQICKDHAG-UHFFFAOYSA-N 266.385 3.740 30 20 CHED CCN(CCCSCC#N)c1ccc(Cl)c(F)c1 440628894 YVAOOUKJSVVHPO-UHFFFAOYSA-N 286.803 3.952 30 20 CHED N#Cc1cccnc1NCc1ccc(-c2ccco2)cc1F 447818019 UTTJKGZWJUIHFJ-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=CCC1(C(=O)N2C[C@H]3[C@H](C2)C3(C)C)CCCCC1 449954818 QEUCCKCEOPLFCO-KBPBESRZSA-N 261.409 3.627 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)C1CC1 357496804 WKFXHISIWCYQED-UHFFFAOYSA-N 288.778 3.541 30 20 CHED N#C[C@H]1CCC[C@H]1N=c1[nH]c2cc(Cl)cc(Cl)c2o1 618971917 HMJRHZMQMVLYQH-GMSGAONNSA-N 296.157 3.661 30 20 CHED C=CCN(CCC#N)C(=O)c1occc1-c1ccc(F)cc1 359410219 HFJKDKDHIZAFDW-UHFFFAOYSA-N 298.317 3.628 30 20 CHED C=C(CC)CSc1nc(-c2ccc(OC)cc2)n[nH]1 538016461 IZLBOKMZQBNJJV-UHFFFAOYSA-N 275.377 3.539 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(C#N)c(Cl)c2)C1 619768122 USMMHWDHNKYJLD-DGCLKSJQSA-N 290.794 3.654 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCSc2ccc(F)cc21 618887920 JDQOKOJQAZYHQZ-BXUZGUMPSA-N 278.396 3.892 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1occc1-c1ccccc1 353200848 DZQUHFVQVPSKFJ-UHFFFAOYSA-N 282.343 3.568 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)C1CCC(C)(C)CC1)OCC 533706293 KUEKUKCUUUHXFX-OAHLLOKOSA-N 281.440 3.785 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(CC)c1 537164726 ZXBAMUHSVSVFPD-UHFFFAOYSA-N 275.392 3.951 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2ccccc2[C@H]1C 614398480 XVOFOTDLNKICQJ-OAHLLOKOSA-N 276.383 3.986 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cccc(N2CCCC2=O)c1 453303512 CQZYXWHVRQJTNF-AWEZNQCLSA-N 286.419 3.676 30 20 CHED CC(C)N(Cc1ccco1)C(=O)[C@@H](C)c1cccc(C#N)c1 360398436 XJOCWMDRBVKIEA-AWEZNQCLSA-N 296.370 3.692 30 20 CHED N#CCCCCN1CCC(Cc2ccc(F)c(F)c2)CC1 368654154 YFKBPRHTOOHTAP-UHFFFAOYSA-N 292.373 3.913 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cc3c(s2)CCCC3)C1 618566887 QHGFXPBZTULONI-GXTWGEPZSA-N 274.433 3.799 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CCC[C@@H](c2ccnn2C)C1 369616349 RFDKPTHFFVPYMH-ARFHVFGLSA-N 275.440 3.781 30 20 CHED C=C(CC)CNC(=O)c1oc2ccccc2c1CC 456821130 ALDZNGQMCBWIAX-UHFFFAOYSA-N 257.333 3.691 30 20 CHED CC(C)(C#N)CNC(=O)CC(C)(C)C1CCCCC1 619442436 SSTVFVNLFOHOOV-UHFFFAOYSA-N 264.413 3.649 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl 452529219 OPXBCWKMKKVTNN-STQMWFEESA-N 290.794 3.768 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@H](c2cccc(F)c2)C1 455373691 WSLLCWCPYFESCQ-AWEZNQCLSA-N 290.382 3.537 30 20 CHED C=CCC1(NC(=O)Nc2cncc(F)c2)CCCCC1 455392708 VFDFIWQRQKQLTM-UHFFFAOYSA-N 277.343 3.621 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CC(F)(F)F)CCCC1 450655814 XRDSAELHSRNMNS-JTQLQIEISA-N 263.303 3.580 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1ccccc1 272369541 RPCXWVKIYCLIDK-OAHLLOKOSA-N 298.386 3.781 30 20 CHED C=CCCN1CC[C@@](F)(c2cccc(Cl)c2)C1 549180474 ODPFJHHBMBEPNI-AWEZNQCLSA-N 253.748 3.787 30 20 CHED C=CCC1(NC(=O)Cc2ccc(C)c(O)c2)CCCCC1 456374074 WSEJDFWIFXEKGY-UHFFFAOYSA-N 287.403 3.638 30 20 CHED C=CCCCCNC(=O)[C@H](CC)Cc1ccccc1 546724041 LKSMOHSXEWMEJT-MRXNPFEDSA-N 259.393 3.728 30 20 CHED C=CCC[C@@H](CCC)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 453273566 FTEIIWVUJDJKQB-JKSUJKDBSA-N 294.483 3.735 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 452783143 LVUOHDOQTAARKO-CHWSQXEVSA-N 277.795 3.772 30 20 CHED C=CCC1(CNC(=O)CCCc2nccs2)CCCC1 456512563 UWWZPGQXAREYPX-UHFFFAOYSA-N 292.448 3.719 30 20 CHED N#CCc1ccc(NC(=O)N2CC3(CCCCC3)C2)cc1 273923015 DRGSFTMZJRKEHO-UHFFFAOYSA-N 283.375 3.551 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(CN(CC)CC)o1 620861722 XFAZFVMILOPZBO-UHFFFAOYSA-N 292.423 3.596 30 20 CHED CCC(CC)c1noc([C@H](C)Oc2ccc(C#N)cc2)n1 547083297 VYVHLZHFYKUTIA-NSHDSACASA-N 285.347 3.985 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)C2CCC2)C1 549527981 ZCBTVSFVFDXMDZ-KBRIMQKVSA-N 254.377 3.810 30 20 CHED C#CC[C@H](NC(=O)N(CCCC)C1CC1)c1ccccc1 270373163 UKRFTODCMVLGCS-KRWDZBQOSA-N 284.403 3.725 30 20 CHED Cc1coc2ccc(NC(=O)CC(C)(C)C#N)cc12 278757795 JZMLKKDHILCPSD-UHFFFAOYSA-N 256.305 3.620 30 20 CHED N#Cc1ccc(NC(=O)N(CC2CCC2)CC2CC2)cc1 279911648 RWTUYCFOAHAKJQ-UHFFFAOYSA-N 283.375 3.602 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(C)cc1SC 467995357 PNDLFTJJRJJLFS-INIZCTEOSA-N 277.433 3.935 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccccc1C)C(C)C 464762669 WYMRTLRCFXXDEI-UKRRQHHQSA-N 260.381 3.566 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 540567089 WKQNXAVZZQKEEI-XDKFSHSGSA-N 298.430 3.759 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 625758782 IKPDZTBKDUWLID-OKZBNKHCSA-N 283.415 3.777 30 20 CHED C=CCC(C)(C)CNCc1c[nH]nc1-c1ccccc1F 549829408 GYGLOTFBQLQAMZ-UHFFFAOYSA-N 287.382 3.908 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1(C)C 281716967 WVWQFTXFDTUMOX-CQSZACIVSA-N 298.430 3.996 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1NC(C)(C)C 280968070 IFBZZVRYIGCYFL-UHFFFAOYSA-N 297.358 3.922 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CCCC)C1CCC1 464950828 KMXYDWLXGKZZBY-GXTWGEPZSA-N 252.402 3.609 30 20 CHED C=CCOCCSc1nnc(SCCCC)s1 558828856 WWMWVFROFYPTKG-UHFFFAOYSA-N 290.479 3.725 30 20 CHED C[C@H](C(=O)N1CCCC12CCCCC2)c1cccc(C#N)c1 462264967 DPNLPRKOOHKSOH-HNNXBMFYSA-N 296.414 3.987 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C#N)ccc1Cl 552050904 YPVCLMVJXUIEOQ-WDEREUQCSA-N 278.783 3.766 30 20 CHED C#CCC(C)(C)c1nc(Cc2csc(C(C)C)n2)no1 288843431 DNXPSKQBMQTERY-UHFFFAOYSA-N 289.404 3.541 30 20 CHED CC(C)(C#N)CCSCc1ccccc1[N+](=O)[O-] 289309675 AKNPNNTYSSCTBN-UHFFFAOYSA-N 264.350 3.768 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cc(C)ccc2F)no1 289032816 JNYUMQRRQAFVKO-BXUZGUMPSA-N 288.322 3.633 30 20 CHED CCc1occc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 282028500 RFJQCODSROZRAA-UHFFFAOYSA-N 296.370 3.764 30 20 CHED C[C@@H](CCCC(F)(F)F)N=c1[nH]ccc(C#N)c1Cl 553246647 HSWMIXPSGOJZHF-QMMMGPOBSA-N 291.704 3.562 30 20 CHED Cc1ccnc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 286267584 VGEJRCPXJWVKED-KBPBESRZSA-N 265.360 3.674 30 20 CHED CC1(C)CC[C@H](NC2CCN(c3ccc(C#N)cc3)CC2)C1 556887507 YOILXCRSPISTRV-KRWDZBQOSA-N 297.446 3.695 30 20 CHED C#C[C@H](NC(=O)Cc1ccc(SCC)cc1)C(C)(C)C 807881019 WLVBMILJWNGFAI-HNNXBMFYSA-N 289.444 3.505 30 20 CHED CC(=O)c1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 630055837 QCAQEBUZRNWNSF-LBPRGKRZSA-N 264.328 3.934 30 20 CHED CCCCCCCC(=O)N1CCCC[C@H]1c1nc(C)no1 804859126 OBWDQNZBQDZRMF-AWEZNQCLSA-N 293.411 3.792 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC1(c3cccc(F)c3)CC1)CC2 554999785 NXANAUNNGQWLOM-GOSISDBHSA-N 292.357 3.964 30 20 CHED Cc1cc(NC[C@@H](C)c2ccc(F)cc2)cc(C#N)n1 553317335 SRAFEJDERJZOSS-LLVKDONJSA-N 269.323 3.616 30 20 CHED CC(C)c1[nH]ccc1C(=O)O[C@H](C)c1cccc(C#N)c1 803779822 GFVNHKBRRKGPGG-GFCCVEGCSA-N 282.343 3.928 30 20 CHED CON=C(C)CCCOc1ccc(Cl)c(C)c1 800809536 BFHNOIGKUVCDRT-UHFFFAOYSA-N 255.745 3.830 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2C[C@H](c3ccc(F)cc3)C2)C1 293713475 MYSWKHBKVOQBEC-QIJZBDPFSA-N 272.367 3.744 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N(C2CCC2)C2CCC2)c1 293868871 LDCJODSKJMYTMC-UHFFFAOYSA-N 288.778 3.759 30 20 CHED Cc1ccc(NN=Cc2c[nH]c(C(F)(F)F)c2)cc1 807943078 HWMFRWOPPYDGOB-UHFFFAOYSA-N 267.254 3.788 30 20 CHED CC1(C)CN(c2ccc(Cl)c(C#N)n2)[C@@H]1c1ccncc1 292798049 QWTFVBHHYUEQBM-OAHLLOKOSA-N 298.777 3.589 30 20 CHED C=CCCCCCN[C@@H]1CCC(=O)Nc2ccccc21 569472399 PCGIFFPNGQOBJE-OAHLLOKOSA-N 272.392 3.796 30 20 CHED CC(C)C1(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 297252452 JLSKEXPJYDLCFA-HNNXBMFYSA-N 285.391 3.519 30 20 CHED CC/C(C)=C/C(=O)Nc1ccccc1SCCC#N 294689077 SGYVPBMUFJTPBA-VAWYXSNFSA-N 274.389 3.987 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCc1c(F)cccc1F)CC2 564431986 MZNQEVCPBGGNOM-GOSISDBHSA-N 298.336 3.656 30 20 CHED C=CCCCCCCNC(=O)NCC(C)(C)SC 805164005 PMCMGDLQFYBSHM-UHFFFAOYSA-N 272.458 3.564 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2C[C@H]2c2cccnc2)n1 562572086 TYSBWCIMJQEEJL-QWHCGFSZSA-N 269.348 3.589 30 20 CHED C=CCOC(=O)c1cc2c(Cl)cccc2s1 807533519 SBMWGYBAGMKWAU-UHFFFAOYSA-N 252.722 3.898 30 20 CHED Cc1c(Br)cccc1CN[C@@H]1CC[C@H](C#N)C1 568239589 PJVLWIXKNCHZHN-WCQYABFASA-N 293.208 3.539 30 20 CHED C=CCCCCNC(=O)Cc1ccc(C(F)(F)F)cc1 471680035 QZBLJIQRYIQECF-UHFFFAOYSA-N 285.309 3.720 30 20 CHED CCCC[C@H](CC)CNC(=O)NCC#Cc1ccccc1 642106563 YYGBQWZMHUHIOF-INIZCTEOSA-N 286.419 3.554 30 20 CHED CC(C)c1cccc(CNC(=O)Cc2ccc(C#N)cc2)c1 475947513 ALFRAFFMMLNBLK-UHFFFAOYSA-N 292.382 3.541 30 20 CHED C#C[C@@H](CC)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 809686071 LENPWMCFPFQZME-FZMZJTMJSA-N 269.310 3.638 30 20 CHED CN(Cc1cc(F)cc(C(F)(F)F)c1)CC(C)(C)C#N 560569785 KDYXEODRHUXAMQ-UHFFFAOYSA-N 288.288 3.826 30 20 CHED N#Cc1cc(Oc2ccc(NCC3CCC3)cc2)ccn1 569164120 VSSQMUMDRDKULX-UHFFFAOYSA-N 279.343 3.958 30 20 CHED C=C(CN[C@H](C(=O)OCC)c1ccccc1)c1ccccc1 487901894 WWKWYQNJYNHMMP-SFHVURJKSA-N 295.382 3.594 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 481074799 SAQKXKMFLRYJOL-CYBMUJFWSA-N 287.363 3.729 30 20 CHED CC(CCc1cccc(F)c1)=NOC/C=C/Cl 811669906 WGJNHBGZSQDKLJ-VICKTKDPSA-N 255.720 3.903 30 20 CHED C=CCCCCNC[C@H](O)c1ccccc1C(F)(F)F 819238060 UTMLUFNEYJPVNF-AWEZNQCLSA-N 287.325 3.685 30 20 CHED CC(=NNc1ncnc2sccc12)c1ccc(C)nc1C 814767446 JFARMHOVTFZFPG-UHFFFAOYSA-N 297.387 3.539 30 20 CHED CC(C)(C)c1cnc(C=Nn2cnc3ccccc32)s1 814779012 DHRDFHHWTVYDJI-UHFFFAOYSA-N 284.388 3.673 30 20 CHED CCCC(=NNCCCOc1ccccc1)c1cccnc1 814838457 OJXFMBHCJFPALT-UHFFFAOYSA-N 297.402 3.645 30 20 CHED CCCOc1ccc(NC[C@H](C#N)CCC#N)c(C)c1 819420114 OMNRLDIZFCJJLW-AWEZNQCLSA-N 271.364 3.639 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@H]2CCC[C@H]21 483174141 JMGKCCGHWHCWPN-PIIMJCKOSA-N 296.414 3.589 30 20 CHED CCOC(=O)c1ccc(NN=C[C@@H]2CC=CCC2)cc1C 812229607 MVEKDQJDEPDZNN-CQSZACIVSA-N 286.375 3.926 30 20 CHED N#Cc1cccc(CN2CCc3cc(Cl)ccc3C2)c1 483661285 NKZBIUYISRVTQF-UHFFFAOYSA-N 282.774 3.770 30 20 CHED C=CCCC(CCC)=NNc1ccc(C(=O)O)cc1 814681040 UCQPFQLKUUKUJQ-UHFFFAOYSA-N 260.337 3.919 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(F)ccc1OC)C2 812243043 BHYMJCLTCRDAPH-MDWZMJQESA-N 298.313 3.665 30 20 CHED C=CCC[C@H](C(=O)OCC[C@H]1CCOC1)c1ccccc1 816444158 FCRKHOBSJIMCRY-WBVHZDCISA-N 288.387 3.706 30 20 CHED C=C(C)CNC(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 488601171 RSRIOUSWJIJZLW-AWEZNQCLSA-N 280.799 3.536 30 20 CHED CC(C)OCCON=Cc1cnc(C2CCCC2)s1 812239553 XTJRZQCEWFOTNE-UHFFFAOYSA-N 282.409 3.576 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N(C)CC(C)(C)C#N)cc1C 817617950 MEAGZVSMIZPRJN-BQYQJAHWSA-N 284.403 3.633 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1cccc2ccccc12 489487663 XAOSXKOZZIMUBS-INIZCTEOSA-N 294.398 3.819 30 20 CHED C=CCN(C(=O)NCc1ccc(F)c(Cl)c1)C(C)C 726277358 ADKNKYRVEJJOGO-UHFFFAOYSA-N 284.762 3.585 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(OCCC)c1 488508426 SVDGYAICXRWVLO-UHFFFAOYSA-N 284.359 3.715 30 20 CHED C=C(CC)CNC(=O)Nc1ccc2c(cnn2C(C)C)c1 652546456 GDCHNILWWXWKEC-UHFFFAOYSA-N 286.379 3.705 30 20 CHED C#CCCCOc1cccnc1N1CCCCCCC1 820598887 LYTPNBVPSRVYJX-UHFFFAOYSA-N 272.392 3.644 30 20 CHED C#Cc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)nc1 728798054 CJSVNLCZHPRVSV-UHFFFAOYSA-N 299.329 3.949 30 20 CHED CC(C)C[C@H](C)CN1CCO[C@@H](c2cccc(C#N)c2)C1 499586305 BKDWXLVICMOCCD-MAUKXSAKSA-N 286.419 3.614 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(C)cc2F)c1 726436058 KCCKDUPJYDZJIY-UHFFFAOYSA-N 284.359 3.924 30 20 CHED CC(C)C#CC(=O)N(C)CCc1cccc2ccccc12 825179203 UVSRWXLTJNBWJG-UHFFFAOYSA-N 279.383 3.500 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(OCCCC)cc1C 491653930 DTASGRLULQCFKW-CQSZACIVSA-N 288.391 3.659 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1CCc2sc(Cl)cc21 583116627 RFODSXSNWADISN-SCZZXKLOSA-N 284.812 3.653 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](O)c1ccccc1F 823691905 YQISWSXCBOPGAF-CJNGLKHVSA-N 265.372 3.584 30 20 CHED C#C[C@H](NCc1cnccc1C)c1ccc(Cl)cc1F 491744100 SFEKTXOLOILPDR-INIZCTEOSA-N 288.753 3.647 30 20 CHED N#CC1(COc2ccc3ccccc3c2C=O)CCC1 828492271 IAUBURIFMFTTPZ-UHFFFAOYSA-N 265.312 3.725 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)c1ccc(F)cc1 495139459 LPBZVYRCKXXNSI-XJKSGUPXSA-N 290.382 3.679 30 20 CHED C#CCCOC(=O)c1ccc(-c2ccc(C)cc2)cc1F 730398159 FXTAUCBBKIVJJF-UHFFFAOYSA-N 282.314 3.981 30 20 CHED COc1ccc(O)c(/C=N\[C@H](Cc2ccccc2)C2CC2)c1 736430790 HWZKRHOVBVIRBV-RXWSAZGZSA-N 295.382 3.841 30 20 CHED CON(C(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1C 820033827 OKEJEEKATLQWRX-AWEZNQCLSA-N 294.354 3.632 30 20 CHED C=CCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C 663667047 DFBRNKJFENWOQJ-CQSZACIVSA-N 260.381 3.649 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 499820170 ANQMJOIKQVRNIZ-APIJFGDWSA-N 287.403 3.931 30 20 CHED C#CCCCCCCN[C@@H](CC1CCCCC1)C(=O)O 901768863 CSSCBCGKTLAJSF-INIZCTEOSA-N 279.424 3.583 30 20 CHED C=C(Cl)CNC(=O)C1(c2ccc(F)cc2)CCCCC1 736245351 PXCKCOYQNCMSAE-UHFFFAOYSA-N 295.785 3.896 30 20 CHED C#CCO[C@@H](C)c1nc(-c2oc3ccccc3c2C)no1 834697357 JJNZMUIOKRDFQP-NSHDSACASA-N 282.299 3.502 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(F)c2F)cc1C#N 588386939 SGNINTJDVJBUGK-ALCCZGGFSA-N 299.276 3.741 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1sccc1Cl 908663136 RUJHHFHOKXWQQS-LLVKDONJSA-N 297.807 3.541 30 20 CHED C#CCN(CC)C(=O)N[C@H](CC(C)C)c1ccccc1C 732894090 JDLFXUCMMCNYCY-QGZVFWFLSA-N 286.419 3.747 30 20 CHED CC(C)c1ccc(NN=C2CCCN(C)CC2)cc1 835018345 MFFHDDYDRYOIMF-UHFFFAOYSA-N 259.397 3.694 30 20 CHED C#CC1CCN(C(=O)Nc2c(C)cccc2C(C)C)CC1 831062111 CJYJVBDDHNIOIW-UHFFFAOYSA-N 284.403 3.996 30 20 CHED C[C@H](NN=Cc1cnc(CC(F)(F)F)s1)C(C)(C)C 901246830 ROAWTXUSNWOPHR-QMMMGPOBSA-N 293.358 3.606 30 20 CHED C[C@@H](CC(C)(C)C)NCc1ccc(O[C@H](C)C#N)cc1 835065302 OFHHWPRPPCWVKH-UONOGXRCSA-N 274.408 3.892 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc(F)cc1Br 839033252 BOKXQSNPJLABCK-SECBINFHSA-N 299.139 3.547 30 20 CHED C=CCCC(=NNc1ccc(C(=O)OC)c(F)c1)C1CC1 835018899 XCHHQJBQAVACGK-UHFFFAOYSA-N 290.338 3.756 30 20 CHED Cc1cc(C)cc([C@H](C)/N=C\c2cccc(O)c2O)c1 730434149 GWMXXYUXBFGMBS-VQIMKDEXSA-N 269.344 3.895 30 20 CHED CCCCCCCOC(=O)c1sccc1OC 730059193 WFSCITYZMVVTQU-UHFFFAOYSA-N 256.367 3.884 30 20 CHED C=CCN(Cc1cccs1)Cc1n[nH]c2ccccc12 678125243 YKZYQJQKYNKSAN-UHFFFAOYSA-N 283.400 3.813 30 20 CHED O=C(c1cccc(Cl)c1)N(O)Cc1ccc(F)cc1 901378521 IEJCDRUFGCFFMS-UHFFFAOYSA-N 279.698 3.511 30 20 CHED CCCC1(CN[C@H]2CCc3ccc(C#N)cc32)CC1 581161357 WGDOVRDHCQLYHI-INIZCTEOSA-N 254.377 3.715 30 20 CHED C=CCCC[C@H](N[C@H](C)[C@@H]1C[C@H]1C(=O)O)c1ccccc1 902327692 LYJVNTOYIHYFRR-XBVQOTNRSA-N 287.403 3.783 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1ccc(C#N)s1 835021013 QWKRXWFDOYEDHE-OAHLLOKOSA-N 299.374 3.760 30 20 CHED C#CCOc1ccc(N=Cc2cccc(OCC)c2O)cc1 730952120 SIVVCYYBZUMMLM-UHFFFAOYSA-N 295.338 3.554 30 20 CHED Cc1sccc1C(=O)OC[C@@H](C#N)Cc1ccccc1 835209368 FQCYNIHWGJZWSW-CQSZACIVSA-N 285.368 3.596 30 20 CHED CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)CCCCCC#N 588651565 UTWWWGQLEVFQOM-HUUCEWRRSA-N 294.439 3.513 30 20 CHED C=CCCCN1C(=O)S/C(=C/c2cccs2)C1=O 735414330 OJQVHAMYKAORBK-PKNBQFBNSA-N 279.386 3.751 30 20 CHED C#CCCCCCCOC(=O)/C=C\c1cnccc1C 835715228 VJHPRHKNHOEYKE-KTKRTIGZSA-N 271.360 3.530 30 20 CHED CC(=NNc1ccc(Cl)nn1)[C@H]1CCCC[C@@H]1C 834921803 WZTUOWBVODHIJH-ONGXEEELSA-N 266.776 3.744 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H](C)SC 917871144 LAMSMNKVEPICCR-QWHCGFSZSA-N 259.459 3.851 30 20 CHED C#CCN(CC)C(=O)CCc1ccc(-c2ccccc2F)o1 919876468 UQCDYERXNBOSQP-UHFFFAOYSA-N 299.345 3.500 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H](CC#N)C2)c(Cl)c1C 597906032 SHPXEVVASBBHQV-CYBMUJFWSA-N 290.794 3.723 30 20 CHED CC(=O)CCCCCOC(=O)c1ccc(Cl)c(C#N)c1 837632495 QBDVKUIUONSBQZ-UHFFFAOYSA-N 293.750 3.518 30 20 CHED C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H](CC#N)C1 595613334 BDKYRWMVWVFNPP-RYUDHWBXSA-N 264.319 3.651 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H]1C[C@H]1c1sccc1C 839036632 FOGMEFSRZISXLM-YNEHKIRRSA-N 262.374 3.505 30 20 CHED CCC(=NN[C@H]1CCc2c(F)cccc21)c1ccncc1 835020602 IULBUXOEARVZKY-KRWDZBQOSA-N 283.350 3.612 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 597178259 WSAIHBIGYVNROM-INIZCTEOSA-N 291.398 3.874 30 20 CHED COc1c(C)cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1C 839051297 DHYZXFHAHJMYGN-DZGCQCFKSA-N 287.359 3.551 30 20 CHED CC[C@@](C)(NC(=O)c1ccc(C#N)s1)c1ccccc1 749381888 LAIZRSMIFJBMPS-MRXNPFEDSA-N 284.384 3.675 30 20 CHED C=C(C)CCOC(=O)c1ccc(OC)c(Br)c1 744302905 GTLSLJOGZCWQSI-UHFFFAOYSA-N 299.164 3.581 30 20 CHED CCCCC[C@H](C)CC(=O)Nc1cc(C)nn1CCC#N 742573323 MNCDKHVZYMBQAA-ZDUSSCGKSA-N 290.411 3.650 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cnn(C(C)C)c1 743450874 SHOYXXHWHKZUPP-CQSZACIVSA-N 264.417 3.746 30 20 CHED CCCC[C@H](CC)C(=O)OCc1cc(C#N)ccc1F 919224206 WYAGLWDCJLVPED-ZDUSSCGKSA-N 277.339 3.957 30 20 CHED Cc1ccccc1C1CC(=NNc2ccc(F)cn2)C1 743442252 UMZSGXUKNANAJP-UHFFFAOYSA-N 269.323 3.875 30 20 CHED N#Cc1ccc(N(C(=O)c2ccsc2)C2CCC2)cc1 598885095 LZWVKQCLGFSHLC-UHFFFAOYSA-N 282.368 3.819 30 20 CHED C=CCCCNc1cc(Cl)c(OC)c(OC)c1 844617159 JOFCEUYWMOCLEN-UHFFFAOYSA-N 255.745 3.735 30 20 CHED C=C[C@H](C)ONC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 846551344 UKBFVOVHXNYHTG-KBPBESRZSA-N 291.391 3.508 30 20 CHED Cc1ccc(CN(CC(C)C)C(=O)C#CC2CC2)c(C)c1 843956805 ONNBYQJHBLWUGY-UHFFFAOYSA-N 283.415 3.701 30 20 CHED CCCCCC[C@H](C)CC(=O)N(C)c1ccc(C#N)nc1 844824127 CSTYOILMRVAXIB-AWEZNQCLSA-N 287.407 3.913 30 20 CHED C=CCOCCCC(=O)Oc1ccc(Cl)c(F)c1F 841311439 UWBXUGPQXCULGK-UHFFFAOYSA-N 290.693 3.506 30 20 CHED COc1ccc(CCC(C)=NNc2ccc(C#N)cc2)cc1 915962619 TVXOBIDNPGKXCZ-UHFFFAOYSA-N 293.370 3.987 30 20 CHED COc1ccc2c(c1)CCCC2=NOCc1cncc(C)c1 842022770 NAIHEBJPAITKCY-UHFFFAOYSA-N 296.370 3.656 30 20 CHED CCCCCCCCCN(C)C(=O)N1CCCC1 918541808 MQIIFXTWRWAXPN-UHFFFAOYSA-N 254.418 3.885 30 20 CHED C[C@H](C(=O)N(CCC#N)CC1CC1)c1ccc(Cl)cc1 593452198 ULGCCRKWPGCXLB-LBPRGKRZSA-N 290.794 3.596 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(-c2ncco2)cc1 599725884 JMLAAMZPBRLVOO-UHFFFAOYSA-N 283.331 3.610 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccnn1CC(C)C)C2=O 843269585 RNCAKMPLMXCLLM-NTEUORMPSA-N 296.370 3.506 30 20 CHED CC[C@@H](CC(C)C)C(=O)Oc1cccc(OCC#N)c1 841344829 ZHNWDTYTNJVHOC-ZDUSSCGKSA-N 275.348 3.567 30 20 CHED C[C@H](C(=O)OCc1cccc(C#N)c1)c1cccc(F)c1 744118491 CIZDTYJSHNQJQX-LBPRGKRZSA-N 283.302 3.544 30 20 CHED C[C@@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)C1CCC1 598885472 LDKOXOAUCKPJDM-CYBMUJFWSA-N 282.387 3.880 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)Cc1ccc(C)cc1C 595825115 AKXMKOZAPXEGFZ-MRXNPFEDSA-N 288.435 3.842 30 20 CHED CN(c1ccccc1)c1ccc(C=NNCC(F)F)cc1 740615788 BCAJTBSENWEYIV-UHFFFAOYSA-N 289.329 3.643 30 20 CHED C#CCNC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 915313309 FNZJXTUMUFKCCP-UHFFFAOYSA-N 280.327 3.542 30 20 CHED CCC(=NNc1ncccc1Cl)c1ccccc1 917548496 AAICPXHVZBUGED-UHFFFAOYSA-N 259.740 3.961 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC1CCC(F)(F)CC1 592389682 LAURUAGUINJHTM-OAHLLOKOSA-N 276.330 3.713 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)s1 749615176 KURCUPQAPCWEPI-HZRUHFOJSA-N 296.823 3.859 30 20 CHED CCCCNN=Cc1ccc(OC)c(OCCC(C)C)c1 747611142 PNTYLPXIRWWJFR-UHFFFAOYSA-N 292.423 3.844 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CC=CCC1 594004236 YOAYFKOPTSMKKW-YJBOKZPZSA-N 296.414 3.552 30 20 CHED Clc1ccc(C=NNc2ccccc2Cl)cn1 748777469 BDMKTDBSPCBXJF-UHFFFAOYSA-N 266.131 3.834 30 20 CHED C=CC[C@H](NC(=O)/C=C\C1CCCC1)c1ccncc1 843550055 XOBXERIKLFEQDW-QWGSZXSUSA-N 270.376 3.561 30 20 CHED C#C[C@H](NC(=O)CCCc1ccc(C)s1)c1ccccc1 843645137 YYRWRJHVNJDKPV-KRWDZBQOSA-N 297.423 3.870 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccccc1F 742260395 FQLLWFZHDIWPLA-UHFFFAOYSA-N 273.282 3.589 30 20 CHED N#CC1(c2cccc(-c3ccc(O)cc3)c2)CCOCC1 596645235 CGZIVSCZIUTFGO-UHFFFAOYSA-N 279.339 3.631 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1ccncc1 746576777 CBWGNLMHBSBYBF-UHFFFAOYSA-N 279.265 3.937 30 20 CHED C[C@H]1C[C@@H](C)CN(CCCCN[C@@H](C)CC(C)(C)C#N)C1 924687551 WDTWTMHDGRTHCM-BBWFWOEESA-N 293.499 3.662 30 20 CHED N#CCOC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 842093454 UUCYXSXWMINKQN-VURMDHGXSA-N 287.315 3.634 30 20 CHED FC(F)(F)[C@H]1CCC[C@@H](C=NNc2ccccn2)C1 853269336 SVFKLNDDPFBHST-MNOVXSKESA-N 271.286 3.848 30 20 CHED CCCn1nccc1/C=C1\CCc2cc(OC)ccc2C1=O 853003368 JJYVWFXRMVNXER-SDNWHVSQSA-N 296.370 3.514 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1csc2ccccc12 921220493 YVHTUVVBDDEEND-GFCCVEGCSA-N 290.384 3.926 30 20 CHED CCCCCC[C@@H](C)NN=Cc1nc(C)cs1 755755048 WXFCLQDZRHELPO-LLVKDONJSA-N 253.415 3.734 30 20 CHED CC(=NOCC(F)F)c1cc2c(s1)CCCC2 758899109 DNLYAIZLRBKGCC-UHFFFAOYSA-N 259.321 3.633 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 920383859 ZGNCFCFUZQJFIZ-AWEZNQCLSA-N 281.403 3.827 30 20 CHED C#CCCCCNC(=O)N(CC)[C@H](CC)c1ccccc1 758886090 RAPZRWWIHXXDPT-QGZVFWFLSA-N 286.419 3.973 30 20 CHED C=CCC[C@H](C)OC(=O)c1ccc(-c2csnn2)cc1 859806958 SYXUMXMHMUMHJM-NSHDSACASA-N 288.372 3.717 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1cncc(COC)c1 851141605 BQXPMGDTESZBCW-GOEBONIOSA-N 289.375 3.520 30 20 CHED CCCCCCCCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 754189566 QJEQRERHMNEIJG-UAGQMJEPSA-N 293.451 3.811 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)[nH]1 752480081 RTLZZAAPVDJBTB-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2ccccc2F)C1 926349168 YUMNNPIYBFLJQQ-IHRRRGAJSA-N 274.383 3.990 30 20 CHED C#C[C@](C)(CC)NCc1csc(Cc2ccccc2)n1 852099263 IESLBKSRADEVND-QGZVFWFLSA-N 284.428 3.625 30 20 CHED CCCCC[C@H](NC(=O)c1ccc(C#N)[nH]1)C(C)(C)C 751972456 CDSQQXXQOWHHFL-AWEZNQCLSA-N 275.396 3.611 30 20 CHED Cc1cccc(CCC(=O)O[C@H](C)CC(C)(C)C#N)c1 851213647 SIWFOSZCPVZWTC-CQSZACIVSA-N 273.376 3.799 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCOc2c(Cl)cccc21 920174297 LOWVEHHBSHVTTG-FNHQQPGVSA-N 287.746 3.988 30 20 CHED CC(/C=C\C(=O)c1cc(O)cc(O)c1)=C\c1ccccc1 753715378 CJIAVMNCEHDXQU-XTYDYKDCSA-N 280.323 3.940 30 20 CHED CCC1CCC(=NN=c2cc[nH]cc2Cl)CC1 756837867 FGBAAQNDZNOQHF-UHFFFAOYSA-N 251.761 3.525 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)Nc1sccc1C#N 931837470 ILEUEEGUAUAATK-GFCCVEGCSA-N 277.393 3.662 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1coc2ccccc12 755813287 DLJHSXVBBSOLDI-OAHLLOKOSA-N 259.305 3.700 30 20 CHED C=CCN(C(=O)c1ccccc1OCC(C)C)C1CC1 754417806 UUFQSMAFEZJHFY-UHFFFAOYSA-N 273.376 3.512 30 20 CHED C#C[C@H](OC(=O)CCCF)c1cccc(C(F)(F)F)c1 851086730 GBEZVPDVVNCMCR-LBPRGKRZSA-N 288.240 3.673 30 20 CHED CCCCCCCCNC(=O)NCCC(F)(F)F 754865012 ITCVRZHBCPRUEV-UHFFFAOYSA-N 268.323 3.599 30 20 CHED CCCC=NNc1ncc(C(F)(F)F)cc1Cl 864372366 PBJQRYAVOWTGLF-UHFFFAOYSA-N 265.666 3.952 30 20 CHED CC(=NNc1ncnc2ccsc12)c1ccccc1C 764835661 OYDGYKXQXFBPQG-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C[C@H]1CCC(=NNc2ncccc2Cl)C[C@@H]1C 767370699 LXGPLVSANFUUPJ-UWVGGRQHSA-N 251.761 3.959 30 20 CHED COC[C@@H](C)NN=C1CCC(C2CCCCC2)CC1 766454160 HHTGDIHZYSQCFB-AFYYWNPRSA-N 266.429 3.737 30 20 CHED CC#CCCOC(=O)Cc1csc(-c2ccc(C)cc2)n1 760290991 ADSOSGDLEOPFIG-UHFFFAOYSA-N 299.395 3.618 30 20 CHED N#Cc1c(F)ccc(/C=C\C(=O)c2cccnc2)c1Cl 761476189 RVLSTLASSVIIDE-XQRVVYSFSA-N 286.693 3.642 30 20 CHED CC[C@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 132103825 NOCXRRUBIBDRGW-QWRGUYRKSA-N 261.325 3.703 30 20 CHED C=CC[C@@H](NCc1cc(C)oc1C)c1ccncc1 767370660 BEHVEXJQURNTFG-MRXNPFEDSA-N 256.349 3.698 30 20 CHED CCCCCCCc1nc(-c2ccc(C)nc2)no1 761633219 MGMIENRHISTWER-UHFFFAOYSA-N 259.353 3.953 30 20 CHED COC(=O)c1ccc(C(C)=NN[C@H](C)c2ccccc2)cc1 767780088 RAOYFQQASCIELE-CYBMUJFWSA-N 296.370 3.548 30 20 CHED N#CC1(CNC(=O)CCc2cccc3ccccc23)CCC1 868901930 ACBYAIPIKLHURN-UHFFFAOYSA-N 292.382 3.582 30 20 CHED N#Cc1ccccc1/C=C/C(=O)NCCC1=CCCCCC1 766558225 CSPMZPRZVSFJNV-VAWYXSNFSA-N 294.398 3.968 30 20 CHED CCc1noc(C)c1C(C)=NNCc1ccccc1Cl 769794057 VNDDJSLYLZNVTL-UHFFFAOYSA-N 291.782 3.713 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1cnn(C)c1)CCC2 761867984 SYHOGHPVJWFXGL-UHFFFAOYSA-N 282.391 3.696 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2CC[C@H](C)C2)cc1 776707490 ZVVNWGSKLQDNEJ-GJZGRUSLSA-N 270.376 3.678 30 20 CHED N#C[C@@H](OC(=O)c1ccc(Cl)cc1N)C1CCCCC1 776360496 AORHDCZPRBXQPZ-CQSZACIVSA-N 292.766 3.551 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2nnc(C)o2)c1 878975231 BQMUJKNKXYKKNU-UHFFFAOYSA-N 285.347 3.586 30 20 CHED N#CCC1CCN(Cc2ccc(OC(F)F)cc2F)CC1 877191532 YWUPEVHXRBXZIP-UHFFFAOYSA-N 298.308 3.553 30 20 CHED CC(=O)[C@@](C#N)(CCN1CCC(C)(C)CC1)c1ccccc1 878038208 CRVYXOSHLVZGDD-IBGZPJMESA-N 298.430 3.549 30 20 CHED Cn1c(C=NOC2CCCC2)nc2ccc(Cl)cc21 774603479 VEWMGAJNECXCGC-UHFFFAOYSA-N 277.755 3.520 30 20 CHED C=C(C)CNC(=S)N(CC(C)(C)C)CC(C)(C)C 774565591 NTEJTTRHOXWYOT-UHFFFAOYSA-N 270.486 3.831 30 20 CHED C#CCCCCc1nnc(-c2ccccc2Cl)o1 1117167131 LIZMLMWRKWVNFI-UHFFFAOYSA-N 260.724 3.736 30 20 CHED C#Cc1ccc(-c2nc(-c3cccc(C(F)F)c3)no2)nc1 771516148 DXJNLYQYSHVRNZ-UHFFFAOYSA-N 297.264 3.718 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(C#N)cc1F 772805403 GUTMRAMOCAGCBK-SNAWJCMRSA-N 271.316 3.963 30 20 CHED CC(Cl)(Cl)C(=O)[C@H](C#N)c1ccc2ccccc2n1 777295625 NIEOEOZKOCNFGH-SNVBAGLBSA-N 293.153 3.605 30 20 CHED C=C(C)CN(C)c1ccc(C(F)(F)F)c(Cl)n1 777996233 WYLMAHVJOCULQW-UHFFFAOYSA-N 264.678 3.766 30 20 CHED Cc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)c(F)cc1F 776393714 JRHRUAJZFFDDJC-HNNXBMFYSA-N 293.313 3.903 30 20 CHED COCC(=NNc1ccc(C(C)(C)C)cc1)C1CC1 779825479 UTWOUDNJZCTNDL-UHFFFAOYSA-N 260.381 3.808 30 20 CHED 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3.702 30 20 CHED C[C@H](Cc1cccs1)N(C)Cc1cccc(C#N)c1 80846732 FLNFWCURMMQZKI-CYBMUJFWSA-N 270.401 3.683 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C1CC(C)(C)CC(C)(C)C1 597143427 IHCPKUZROWSXCJ-LBPRGKRZSA-N 264.413 3.599 30 20 CHED C=C(Br)CNCc1cccc(C2CC2)c1 168203333 GQGUIMRRKGUOFM-UHFFFAOYSA-N 266.182 3.562 30 20 CHED CC(C)(C)CC(=O)Nc1ccc(Br)c(C#N)c1 690184751 FFHDNSFKRQDYFW-UHFFFAOYSA-N 295.180 3.695 30 20 CHED C#CCCCCC(=O)N[C@H](C)Cc1ccccc1Cl 692929397 YETGQUHSCBANMD-CYBMUJFWSA-N 277.795 3.581 30 20 CHED C[C@@]1(CNc2ccc(C(F)(F)F)cc2C#N)CCCO1 94802845 UVUFNBJAUUKMSA-ZDUSSCGKSA-N 284.281 3.558 30 20 CHED CCc1ccc(/C=C2\COc3ccc(OC)cc3C2=O)cc1 1317776822 CBZOPJKRFQDYGK-XNTDXEJSSA-N 294.350 3.916 30 20 CHED Cc1csc(C=NNc2ccc(C)c(Cl)c2)n1 1319705915 TYDJXMYWQUPGEI-UHFFFAOYSA-N 265.769 3.859 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccnc4ccccc34)o2)cc1 1326238566 OYNFFJSRKQAALL-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C[C@@H]1CCC[C@H]1Cc1nnc(-c2ccc(C#N)cc2)o1 1327864374 JSDQEYAEMHKYSX-RISCZKNCSA-N 267.332 3.587 30 20 CHED C=CCC1(C(=O)N[C@H]2CC[C@H](SC)C2)CCCCC1 1326481779 KPLREOBVEUKBSM-KBPBESRZSA-N 281.465 3.913 30 20 CHED O=C(CC#Cc1ccccc1)NCCCC1CCCC1 1332928607 DPFRGOZAZFPSSS-UHFFFAOYSA-N 269.388 3.515 30 20 CHED Cc1cccc(C(C)(C)CNC(=O)c2csc(C#N)c2)c1 1330505994 WMMLRFZKFBHMCZ-UHFFFAOYSA-N 298.411 3.636 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@@H](C)C1CC1)c1cccs1 1343904609 FOZVIOCCXNPVOG-WDMOLILDSA-N 277.389 3.928 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1c1cccc(CC#N)n1 1342842002 KDKTVOAMJAHDLZ-RHSMWYFYSA-N 277.371 3.530 30 20 CHED N#Cc1ccc(NCCCc2ccsc2)c(F)c1 1347773230 VYQJMDFUZVXRMX-UHFFFAOYSA-N 260.337 3.804 30 20 CHED C=CCCCCCCNCc1nc2c(s1)CCC2 808419576 UEVHSOKJSOJVAR-UHFFFAOYSA-N 264.438 3.858 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1csc(C(C)=O)c1 1353907024 VRARAWVZODSHDY-CYBMUJFWSA-N 277.389 3.522 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C2CCC2)n1CC 1356388154 MERBWWVPWIRHDZ-AWEZNQCLSA-N 274.412 3.501 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@@H]1c1ccccn1)c1ccccc1 1519021010 PZIQDKLRYHDWSQ-SJLPKXTDSA-N 292.382 3.715 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccccc1C 1515551407 MPSYKUJGEVNLAX-CQSZACIVSA-N 278.355 3.917 30 20 CHED C=C(Cl)CN[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 1459911339 NQOVQKDAUAPOAT-JTQLQIEISA-N 295.745 3.587 30 20 CHED C=CCCOCCN[C@@H]1CC[C@H](C)c2ccccc21 222446832 LGSGJIUSQMSRBA-WMLDXEAASA-N 259.393 3.807 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2sccc2Cl)c1 1525018991 MRDINCSNCUWZBG-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1C)c1ccccc1 1529203990 LSXPWSHYEDYSHZ-KRWDZBQOSA-N 278.355 3.748 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1466957288 QPOVGNMVSSLFLI-IRXDYDNUSA-N 284.403 3.578 30 20 CHED CC(C)Oc1cccc(NC(=O)c2csc(C#N)c2)c1 1460236359 VFYDKQFSSYBPPO-UHFFFAOYSA-N 286.356 3.659 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc(-c2ccon2)cc1 1538291010 BSTKQGZRGWXMEE-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1cccc(CCCN2CCc3ccc(C#N)cc32)c1 1616942090 CRLRQZSUQQYNLW-UHFFFAOYSA-N 276.383 3.862 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)n1 1612432733 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3.829 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H](C)c1ccccn1)c1ccccc1 179167236 OVYLGHYVSKWGLU-HZPDHXFCSA-N 294.398 3.961 30 20 CHED C=CCCCC(=O)N1CCC(Nc2cccc(C)c2)CC1 175749370 PVPWSOVQSJJIIB-UHFFFAOYSA-N 286.419 3.754 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)NCCCCC#N 178872552 SXICJXCRUDHIIL-VAWYXSNFSA-N 276.767 3.553 30 20 CHED C=CCSCCN[C@H](C)c1ccc(F)c(F)c1 173389239 WMUNRKBHZVGLJZ-SNVBAGLBSA-N 257.349 3.535 30 20 CHED C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 104996980 MMUJHGCJVHXNQC-DOMZBBRYSA-N 285.391 3.798 30 20 CHED N#C[C@H](C(=O)C1CCCC1)c1nc(-c2ccncc2)cs1 114620077 HXXCWMAWQFMZMI-CYBMUJFWSA-N 297.383 3.572 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2cccc(C#N)c2)C1 173658684 KDKBSORCYZYSLJ-QGZVFWFLSA-N 270.376 3.601 30 20 CHED C=CCCCOC(=O)c1csc(-c2ccc(C)o2)n1 117994276 GBKIHUQNESFBFK-UHFFFAOYSA-N 277.345 3.835 30 20 CHED Cc1cccc(NC(=O)/C=C/c2ccccc2C#N)c1 28092979 MHELYFUYYMFRRC-MDZDMXLPSA-N 262.312 3.519 30 20 CHED N#Cc1ccc(-c2nnc(-c3csc(C4CC4)n3)o2)cc1 1341532524 SWGJXUFDAFYYMZ-UHFFFAOYSA-N 294.339 3.609 30 20 CHED CCCCCCC[C@H](C)C/N=C(\N)Nc1ccccn1 170909497 SNSUGCIETPBQPR-AWEZNQCLSA-N 276.428 3.805 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccoc2)cc1 66397667 YUBKPSIJXGWXTN-HNNXBMFYSA-N 282.343 3.572 30 20 CHED C[C@H]1CCCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 119252331 GKJGMCWKCCQLJZ-ZDUSSCGKSA-N 285.391 3.894 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C1(CC(C)C)CCCC1 1349713791 KRVJSHHGNGFTKE-AWEZNQCLSA-N 287.407 3.686 30 20 CHED C=CCOCCCC(=O)O[C@@H](CC)c1ccccc1 173928134 JCKZFDPZGGBQTA-HNNXBMFYSA-N 262.349 3.664 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H](C)C(C)C 172018992 WUBZSLYQZHEWIH-BXUZGUMPSA-N 296.370 3.660 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)NCCC1CC1 174676605 VMYZPSLFEMRHPR-UHFFFAOYSA-N 290.366 3.755 30 20 CHED CN(c1ccccc1)C1CCN(CCCC(C)(C)C#N)CC1 174834989 IRXYLBGHWFRDAF-UHFFFAOYSA-N 299.462 3.917 30 20 CHED C#Cc1cc(F)c(NC/C(Cl)=C\Cl)c(F)c1 309622325 HXKGRRVAUVEXPU-VMPITWQZSA-N 262.086 3.677 30 20 CHED CSc1ccc(C)c(C(=O)O[C@H]2CC[C@H](C#N)C2)c1 179860988 LXMBCLSFSRRVGF-RYUDHWBXSA-N 275.373 3.566 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccc(F)cc2nc1C 125009184 LFTCRCZROCCDBN-UHFFFAOYSA-N 286.350 3.721 30 20 CHED COCCCCCNc1cc(C#N)ccc1C(F)(F)F 122938431 IZSUIBLCBIHLNF-UHFFFAOYSA-N 286.297 3.806 30 20 CHED N#Cc1ccc(CN(C(=O)C[C@@H]2C=CCCC2)C2CC2)cc1 186492778 LBAIJURLZSRZJN-OAHLLOKOSA-N 294.398 3.796 30 20 CHED CC(C)[C@H](Nc1cccc(C#N)n1)c1ccccc1 301529625 OTNGUBNKBCRWDB-INIZCTEOSA-N 251.333 3.762 30 20 CHED C#CCC(C)(C)C(=O)N(C)CCc1cccc2ccccc12 185386998 HHHVBPXWKLGHBP-UHFFFAOYSA-N 293.410 3.890 30 20 CHED C=C[C@@H](CC(=O)Nc1cnn(C(C)C)c1)c1ccccc1 127396997 AHJMYEOOTWKYRX-AWEZNQCLSA-N 283.375 3.762 30 20 CHED CCN(C(=O)NC1CCCCC1)[C@H](C)c1ccc(C#N)cc1 76548254 DIJAUTOUTKMSMD-CQSZACIVSA-N 299.418 3.983 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc(O)c1 181090063 LTMBRSMERLEGBE-KBPBESRZSA-N 290.407 3.839 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 182371642 MRKPXSXKWIUUCO-UWVGGRQHSA-N 276.405 3.729 30 20 CHED CN(C(=O)C1C2CC3CC(C2)CC1C3)c1ccc(C#N)cc1 316325798 FBTIDLSSEIPEIG-UHFFFAOYSA-N 294.398 3.593 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 127170798 PKNXFODCIDAXFV-NRUUGDAUSA-N 296.773 3.599 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(F)cc(F)c1 32424719 KHYZOTSBHRPLOO-UHFFFAOYSA-N 289.281 3.782 30 20 CHED N#Cc1cc(Cl)ccc1CSC[C@H]1CCCO1 184810334 NLVTYQOCFMZJAQ-CYBMUJFWSA-N 267.781 3.624 30 20 CHED C=CCC[C@H](C(=O)Nc1ccncc1F)c1ccccc1 188907704 LZSANWIODHERPE-AWEZNQCLSA-N 284.334 3.909 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1c1ncc(C#N)cc1F 413316111 KWVBGUXDNKIFFC-INIZCTEOSA-N 299.324 3.881 30 20 CHED C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 315356395 BFMDCJSARPGGGC-CHWSQXEVSA-N 295.342 3.878 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 181038018 IRSDNAQFQIFSPK-LLVKDONJSA-N 295.452 3.719 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)cc(Br)c1 187499464 LPUQSFUABJUFHP-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=CCC[C@@H](NCc1noc(C(C)C)n1)c1ccccc1 180041990 PRUHLMWJOAGSPS-OAHLLOKOSA-N 285.391 3.990 30 20 CHED C[C@@]1(C(=O)Nc2cc(C#N)c3ccccc3n2)CC=CCC1 410865064 UOPWWUJQNZETEQ-GOSISDBHSA-N 291.354 3.791 30 20 CHED CC[C@@H](Nc1cccc(OCCCC#N)c1)[C@@H]1CCOC1 314486227 KWADESPTAZZPFC-RHSMWYFYSA-N 288.391 3.596 30 20 CHED CCOCc1ccc(CNc2cccc(F)c2C#N)cc1 75607385 DKUJQNJVZJPYEA-UHFFFAOYSA-N 284.334 3.846 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)CCC1CC1 410961976 BRFXJFGSHGKMNZ-UHFFFAOYSA-N 262.740 3.535 30 20 CHED C=C(C)[C@@H](NCc1cncs1)c1ccc(F)c(F)c1 187368762 BDCVCEKHGVOEFD-CQSZACIVSA-N 280.343 3.828 30 20 CHED C=CC[C@@H](CC)NC(=O)CCSc1ccc(F)cc1 410117664 NMMOSSSGBPUVPL-CYBMUJFWSA-N 281.396 3.779 30 20 CHED Cc1ccccc1C(=O)Nc1ccccc1O[C@@H](C)C#N 182077818 PKIYCZNSUZLFIP-ZDUSSCGKSA-N 280.327 3.538 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1 416782831 SRVRUQFCWYTBEY-MJBXVCDLSA-N 288.391 3.760 30 20 CHED Cc1ccc(CNc2ccc(F)cc2OCC#N)cc1 181546478 YQABCNJPKSUHGH-UHFFFAOYSA-N 270.307 3.649 30 20 CHED Cc1cc(COc2ccccc2-n2cccn2)ccc1C#N 506718186 HBNPWYYGDBHQIM-UHFFFAOYSA-N 289.338 3.631 30 20 CHED O/C(=N/CCC1CCCCC1)c1cc(O)nc(C2CC2)c1 329946558 GMVFTZAFOQRYBQ-UHFFFAOYSA-N 288.391 3.940 30 20 CHED Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1C 80837667 KXSCNNQZTRVIKN-ZWKOTPCHSA-N 290.366 3.917 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC/C=C\c1ccncc1 418138329 CQNHUDXUJBEFLR-FFPCURRISA-N 289.382 3.634 30 20 CHED Cc1ccc(OC(=O)c2cc(C#N)cs2)c(Cl)c1 83942854 KTRJVSDHJPBPKS-UHFFFAOYSA-N 277.732 3.801 30 20 CHED C#CCCCC(=O)Nc1cccc(-c2csc(C)n2)c1 192049408 FMKASJUWVLRSIK-UHFFFAOYSA-N 284.384 3.861 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc2occc2[nH]1 131062930 AHRIVPGGMHMNLM-UHFFFAOYSA-N 280.327 3.589 30 20 CHED C#CCCCC(=O)N[C@@H](CC)c1ccccc1OC(F)F 192172267 PHWUTUXLWGHFHI-ZDUSSCGKSA-N 295.329 3.659 30 20 CHED CC(C)N(C)c1ccc(/C=C/C(=O)c2ccc(O)cc2)cn1 191204346 XVDTVVFUWJDBMQ-ONNFQVAWSA-N 296.370 3.528 30 20 CHED C[C@@H]1C[C@@H](/C(O)=N/CCc2cc3ccccc3o2)CCC1=O 328960934 PSDRZIKDXDEWNT-OCCSQVGLSA-N 299.370 3.937 30 20 CHED N#CCN(Cc1ccccc1Br)C1CCCC1 80215004 FWYNRGXOFOYSSH-UHFFFAOYSA-N 293.208 3.717 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(-n3ccnc3)c(F)c2)C1 193186266 FQNUVPMTSAHRGU-OLZOCXBDSA-N 284.338 3.506 30 20 CHED CCN(C(=O)c1occc1C)[C@H](C)c1ccc(C#N)cc1 45500467 LYLLEDQMMDPRGL-CYBMUJFWSA-N 282.343 3.683 30 20 CHED CC1(C)CC(=O)c2ccc(OCC3(CC#N)CC3)cc2O1 88255518 ICWODKWJVVSNSM-UHFFFAOYSA-N 285.343 3.503 30 20 CHED CC(C)=CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 133741168 RXBKWRFYNWYOER-UHFFFAOYSA-N 286.419 3.664 30 20 CHED N#Cc1cccc(Oc2ccc(Br)cc2)n1 81595162 XKCLNYUVIQBULR-UHFFFAOYSA-N 275.105 3.508 30 20 CHED Cc1c(N[C@@H]2CCC[C@@H](C#N)C2)cnn1C1CCCC1 193385758 WPLYMOUZIXOOMZ-ZIAGYGMSSA-N 272.396 3.801 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCCc1ccncc1 425529929 DCCUTHJCHLYZSK-OAHLLOKOSA-N 279.387 3.579 30 20 CHED C=CCOc1ccccc1C(=O)N(C)Cc1cccs1 45053862 XSDXBEKRMYDTFZ-UHFFFAOYSA-N 287.384 3.585 30 20 CHED CCC(C)(C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425126866 IHFPXZYLFJWJMR-ZDUSSCGKSA-N 272.392 3.904 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)NCC(C)(C)C#N)c1C 512794169 ZRTHJLQHZSVKKT-MRXNPFEDSA-N 299.418 3.700 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 334845455 NXCGUIRFHASGIX-UHFFFAOYSA-N 299.761 3.788 30 20 CHED N#CC1(NC(=O)CCc2cc3ccccc3o2)CCCCC1 331890735 GKFRASCNEANSJD-UHFFFAOYSA-N 296.370 3.708 30 20 CHED COc1cc(CN2CCc3sccc3[C@H]2C)ccc1C#N 235002899 QBLILLACHOSZDE-GFCCVEGCSA-N 298.411 3.748 30 20 CHED CCC[C@H](C)N(C)C(O)=Nc1cccc(C#N)c1C 331184406 NZNJWLDDBSYVMU-NSHDSACASA-N 259.353 3.533 30 20 CHED C#CCCCCN[C@@H]1CCC[C@H]1c1ccc(F)cc1 90399401 JGVOTHDMDSCDPB-DLBZAZTESA-N 259.368 3.855 30 20 CHED C=CCCc1csc(Cc2csc(C)n2)n1 90065522 CJSWXYUQKJJBQZ-UHFFFAOYSA-N 250.392 3.617 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCCC(F)(F)C2)CC1 337110356 MMSDYFRAVAZDOF-LBPRGKRZSA-N 271.351 3.675 30 20 CHED C[C@@]1(CNCc2cc(C#N)cs2)C[C@H]1c1ccccc1 339445952 ALMBMOQCWAETSI-IRXDYDNUSA-N 282.412 3.903 30 20 CHED N#Cc1cccc(CNCC2(c3ccc(F)cc3)CCC2)c1 237741128 PZQCGNCXYDPWET-UHFFFAOYSA-N 294.373 3.909 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)c1nc2c(s1)CCC2 334179831 BKYLBRBEGMXLIR-SNVBAGLBSA-N 269.373 3.677 30 20 CHED C=C[C@@H](C)NCc1ccc(OC)c(OCCCCC)c1 236764287 JFPLEAXVUNBQMF-CQSZACIVSA-N 277.408 3.928 30 20 CHED COc1ccccc1/C=C\C(=O)c1cccc(NC(C)=O)c1 96766882 YKQGGHIDSLEPDU-KHPPLWFESA-N 295.338 3.550 30 20 CHED COc1cc(C#N)ccc1Oc1ncnc2sc(C)cc12 90066369 UZCYLWSIHQPUQD-UHFFFAOYSA-N 297.339 3.672 30 20 CHED Cc1coc(C)c1/C(O)=N/C[C@](C)(O)C1CCCCC1 330623492 PRHHRUXMAZSWPY-INIZCTEOSA-N 279.380 3.532 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@@H]2CCc3ccccc32)cc1 237605098 UYIMNXWRQIFCND-AUUYWEPGSA-N 292.382 3.755 30 20 CHED C=C(CNC(=O)N(CC)C1CCCC1)c1ccccc1 512670611 AJTQUAZBQJRCQJ-UHFFFAOYSA-N 272.392 3.674 30 20 CHED Cc1nc(C(C)C)oc1C(=O)Nc1cccc(C#N)c1C 334349705 VAHQOCAQTBPAEW-UHFFFAOYSA-N 283.331 3.539 30 20 CHED CC(C)c1ccoc1C(=O)Nc1ccc(C#N)cc1 334193146 IZMIWTXTWCSVFO-UHFFFAOYSA-N 254.289 3.527 30 20 CHED C=C1CCN(C(=O)c2ccc(-c3cccs3)o2)CC1 334276619 CUCZGUHAHUIVNB-UHFFFAOYSA-N 273.357 3.800 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H](c2ccccc2)CC1 336043905 UIHYARTXOIHYDZ-INIZCTEOSA-N 284.403 3.723 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)C2(c3cccc(C#N)c3)CC2)C1 435041450 ITLKCWPMXFBSGZ-RHSMWYFYSA-N 296.414 3.627 30 20 CHED Cc1ccc(NN=C2C[C@@H](C)n3ccnc32)cc1Cl 1344436991 CLQYRZIQMKJAJM-SNVBAGLBSA-N 274.755 3.626 30 20 CHED C=CC[C@@H](CC)NC/C=C\c1ccc(F)c(F)c1 512344561 YKHGAQZINLZQCT-SCXUMTSISA-N 251.320 3.922 30 20 CHED C=CC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 93359246 MPNOVLSYDPARSR-UHFFFAOYSA-N 285.366 3.614 30 20 CHED Cc1ccccc1CN(C)Cc1cn2ccccc2c1C#N 141210960 JBFJFBFXTHFESI-UHFFFAOYSA-N 289.382 3.751 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1Cc1cc(C#N)cs1 93689772 PQLIFJWARZENRP-SUMWQHHRSA-N 282.412 3.998 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCc2ccc(F)cn2)c1 337255600 RCGOBSAYPHYADF-UHFFFAOYSA-N 295.239 3.723 30 20 CHED Cc1cc(C)c(CN(CCC#N)Cc2ccccn2)cc1C 93100295 SDOZYGIGZZBWSG-UHFFFAOYSA-N 293.414 3.923 30 20 CHED C[C@H](N[C@H](C)c1cc(F)ccc1O)c1ccc(C#N)cc1 94617289 LDKMPULCBKVMLQ-NWDGAFQWSA-N 284.334 3.815 30 20 CHED CC(C)c1occc1C(=O)Nc1ccc(C#N)cc1 335692090 PSJKUTBIOCTVPY-UHFFFAOYSA-N 254.289 3.527 30 20 CHED N#Cc1csc(CNCc2ccc(Cl)cc2)c1 93492070 JCQAJHCDICMWQD-UHFFFAOYSA-N 262.765 3.563 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](c2cccnc2)C1 335418702 VXZWSPALIIVYSY-KBXCAEBGSA-N 277.371 3.504 30 20 CHED N#CCC1(CNCc2ccc(-c3ccccc3F)o2)CC1 430044815 WKJNRFBDWXSQOU-UHFFFAOYSA-N 284.334 3.869 30 20 CHED C=CCOCCCN1CC[C@H](C)C[C@H]1c1ccco1 348053873 WXRHQZXXFJADIT-GJZGRUSLSA-N 263.381 3.645 30 20 CHED C#CCCCNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 245473171 PRUHJINOOVBOAQ-CMKODMSKSA-N 295.426 3.565 30 20 CHED C=CCS[C@@H]1CCCN(c2cc(C)ccc2F)C1=O 349084859 ZDVCDTSGFQVCGI-CQSZACIVSA-N 279.380 3.549 30 20 CHED CCS[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H](C#N)C1 248904242 UTAHLPOEMCFBIR-ZQDZILKHSA-N 266.454 3.723 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cn1 435569240 JIMQPQYRWUGWGF-LSDHHAIUSA-N 269.735 3.575 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)C1CCC(F)(F)CC1 436303915 CQRIBUSIKHZBJT-SNPRPXQTSA-N 287.394 3.771 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C)c2ncccc12 527785917 LRAXRKGUMVMPOH-UHFFFAOYSA-N 281.359 3.812 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccccc2nc1C 341641377 BWOASPLHRUYJKE-CQSZACIVSA-N 268.360 3.628 30 20 CHED C=C[C@H](C)NC(=O)C1c2ccccc2Oc2ccccc21 340878415 MZXHMUCEUBMBMO-LBPRGKRZSA-N 279.339 3.615 30 20 CHED Cc1cc2nnc(S[C@H](C#N)C3CC3)n2c2ccccc12 601068259 CTXAGNJKQQDVMA-CQSZACIVSA-N 294.383 3.585 30 20 CHED C=C(C)CCNc1ccccc1C(=O)N1CCC(C)CC1 345400642 AYWHODFLMFPBTB-UHFFFAOYSA-N 286.419 3.937 30 20 CHED CCC(CC)[C@@H](CCNc1c(C#N)cccc1C#N)OC 436392998 UBWUEQMCEDZXOD-MRXNPFEDSA-N 285.391 3.683 30 20 CHED CCC(CC)[C@H](CCNc1nccc(C)c1C#N)OC 343511869 MPQYZRFKYAWTQW-HNNXBMFYSA-N 275.396 3.515 30 20 CHED Cc1nnc(N[C@@H]2CCC[C@@H]2c2ccccc2)c(C#N)c1C 609513890 CKCJIOGOIBYNCO-NVXWUHKLSA-N 292.386 3.713 30 20 CHED C=CCCCCCN(C)C(=O)CCOc1cccc(C)c1 606814359 JNOCVSBQZOWNHV-UHFFFAOYSA-N 289.419 3.969 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC/C=C\Cl 255779193 WQIAYZDBYJAAPZ-UTCJRWHESA-N 250.729 3.510 30 20 CHED C[C@@H](CCC#N)CNc1cccc(CCN2CCCC2)c1 602577132 SUFINBPKUCNCKI-INIZCTEOSA-N 285.435 3.677 30 20 CHED C=CCCOCCCCC(=O)Nc1ncc(C(C)C)s1 342867452 RGBICQFZVZOESV-UHFFFAOYSA-N 296.436 3.968 30 20 CHED Cc1cccc(N=Cc2ccc(O)c(O)c2O)c1Cl 255515041 LRHSRGRHDNOVHX-UHFFFAOYSA-N 277.707 3.516 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccnc(C2CC2)c1 341066419 PFBSSSHWYPEZGX-UHFFFAOYSA-N 299.418 3.751 30 20 CHED Cc1ccc2[nH]c(C(=O)Nc3ccc(CC#N)cc3)cc2c1 603457310 PYMULCXDPLGIDA-UHFFFAOYSA-N 289.338 3.795 30 20 CHED C[C@H](C#N)CNCc1ccc(OCc2ccccc2)cc1 54178996 WMGIHQWSSCFWQU-OAHLLOKOSA-N 280.371 3.515 30 20 CHED C[C@H]1C[C@@H](C(=O)N[C@@H](C#N)c2ccccc2F)CC[C@H]1C 448895976 PHRVUCFCSFONGO-DVZHBHJUSA-N 288.366 3.579 30 20 CHED Fc1ccc(C=NOCCCOc2ccc(F)cc2)cc1 255602118 KTTACPZSHQAUDO-UHFFFAOYSA-N 291.297 3.784 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 341019898 XABHQUMWFATVID-MLGOLLRUSA-N 288.366 3.738 30 20 CHED C=C[C@H](CC(=O)Nc1cnn(C(F)F)c1)c1ccccc1 343573468 OEACPKIMGBJMQV-LLVKDONJSA-N 291.301 3.577 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCSc3ccccc32)c1 343547969 JGWUPCLQYWGFAZ-QGZVFWFLSA-N 294.423 3.927 30 20 CHED CC[C@H](NC1CC(C(F)(F)F)C1)c1ccc(C#N)cc1 348705610 STDCMHCQRWRBTO-RUXDESIVSA-N 282.309 3.940 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C#N)s2)cccc1[N+](=O)[O-] 255842332 MTYCSOZEGZRTAL-FPLPWBNLSA-N 298.323 3.733 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1N[C@@H]1CC[C@H](C#N)C1 442847297 QCCGRTOIBIZVCU-CXHZTBPHSA-N 268.404 3.982 30 20 CHED CC1(C)CCCN(Cc2cnc(C3CCC3)s2)[C@H]1C#N 446975203 PXIKCAAPEJMZEN-AWEZNQCLSA-N 289.448 3.925 30 20 CHED C[C@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)C(C)(C)C1 356267627 HASOUPQIDDXSSW-ZBFHGGJFSA-N 284.403 3.721 30 20 CHED N#C[C@H]1CCC[C@H](NC2CCc3ccccc3CC2)C1 449587527 HJWQFZIDLQRLOH-KSSFIOAISA-N 268.404 3.606 30 20 CHED CCCCOc1ccccc1NCc1cccc(C#N)n1 602489081 FJECUBSRFDCWFC-UHFFFAOYSA-N 281.359 3.744 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C2(C#N)CC(C)C2)C1 531821790 VXDKCZIKWPWBMS-ZAKOAHRUSA-N 296.414 3.639 30 20 CHED C=C[C@@H](Nc1cccc(CSC(C)C)c1C)C(=O)OC 619734933 YBPFUVRIGONLFF-CQSZACIVSA-N 293.432 3.776 30 20 CHED CCCC[C@H](CC)CNC(=O)[C@]1(C#N)CC12CCCC2 448652680 YYVVPPGJMSUAQJ-WMLDXEAASA-N 276.424 3.793 30 20 CHED Cc1ccc2sc(C(=O)N[C@@H]3CCC[C@H]3C#N)c(C)c2c1 446239081 XJYMCRCWTBAQNH-GXTWGEPZSA-N 298.411 3.940 30 20 CHED CC[C@H](C)[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612367016 KONTWGYPUYUMFL-VDZJLULYSA-N 298.430 3.969 30 20 CHED C=CCCC(=O)NC1CCC(c2ccccc2)CC1 263642033 CROLTNBSJVAFBB-UHFFFAOYSA-N 257.377 3.795 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC(F)F)cc1)C1CC1 357690437 SZBRUUGIFPVNGU-UHFFFAOYSA-N 296.317 3.513 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc2occc2c1 617624606 OPMFNRONJWXLDI-MRXNPFEDSA-N 257.333 3.651 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCCC[C@@H]1CC 537197066 IZSABRLRLLEIPK-JKSUJKDBSA-N 281.440 3.834 30 20 CHED C#CCOc1ccc([C@H](C)NCCCC(F)(F)F)cc1 269020402 ZXURHNMIIGOSEG-LBPRGKRZSA-N 285.309 3.692 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1nc(C(C)(C)C)cs1 450728599 MAYAHQXUYRNXMF-LLVKDONJSA-N 277.437 3.785 30 20 CHED C=CCC1(CNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CCCC1 456516433 YVXDNUIXXCFULG-SOUVJXGZSA-N 261.409 3.675 30 20 CHED C=CCC[C@H](C(=O)NC/C=C\CC)c1ccccc1 452607804 VZKMNYYPVSYVKZ-AVFOEOQDSA-N 257.377 3.819 30 20 CHED CC(C)C(CN1CCC(C#N)(c2ccccn2)CC1)C(C)C 367046830 CCXCVGMDDLYAKI-UHFFFAOYSA-N 299.462 3.867 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C1CCC1 457517504 OBSIACYBUFBLSP-HNNXBMFYSA-N 298.430 3.979 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCC[C@H]1CCCCO1 360874433 SUFVBEAZYREASL-IEBWSBKVSA-N 298.430 3.875 30 20 CHED CCc1cccc(NC(=O)N(C)CC(C)(C)C#N)c1CC 455272329 WLZWHYQTLPAEQM-UHFFFAOYSA-N 287.407 3.825 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)C1 610975288 AEDRYAIYWWIOPJ-HUUCEWRRSA-N 296.414 3.880 30 20 CHED N#CCCCC(=O)N1CCCCc2c(Cl)cccc21 362083025 KYLQRGUOAFZYIZ-UHFFFAOYSA-N 276.767 3.703 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2c1ccc(Cl)c2Cl 453380523 ZYAGXEJTXOBKKP-MJBXVCDLSA-N 298.213 3.914 30 20 CHED CC#CCCNC(=O)c1sc(C2CCCCC2)nc1C 541747843 OOIVDXQWHAOKCF-UHFFFAOYSA-N 290.432 3.642 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)Nc2cccc(CC#N)c2)C1 455924596 WGSZKEUMPMSMJD-DZGCQCFKSA-N 285.391 3.700 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@](C)(C#N)C1 612364875 QIIAYNLYHREZSW-HKUYNNGSSA-N 298.430 3.654 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 459103726 URCZWFAJIVHRDZ-IRXDYDNUSA-N 286.419 3.930 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1cccs1 454235710 GZFGSBVSLZFCAL-UHFFFAOYSA-N 298.411 3.505 30 20 CHED CN(CC(C)(C)C#N)C(=O)NCCCC1CCCCC1 457720598 CIBDMOZQBACEMG-UHFFFAOYSA-N 279.428 3.538 30 20 CHED CC(C)(C)[C@H](NCc1ccc(F)c(C#N)c1)C(F)(F)F 545215273 QYOFKRSGKLMEEN-LBPRGKRZSA-N 288.288 3.764 30 20 CHED C=CCC(CC=C)C(=O)N1CCOc2ccccc2[C@@H]1C 621144762 QFGQOZLXRACMQW-AWEZNQCLSA-N 285.387 3.737 30 20 CHED C=CC[C@H]1N(C(=O)c2coc(CCC)n2)CCCC1(C)C 277909723 GPJTYQCZUXKALM-CQSZACIVSA-N 290.407 3.834 30 20 CHED CC(C)(C)CN[C@H]1CCCCc2cc(C#N)ccc21 360664294 OPIBJRRPOZPNBJ-INIZCTEOSA-N 256.393 3.961 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(C)cc2F)no1 274115278 YHSNPEWMSVWMJF-LLVKDONJSA-N 276.311 3.838 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2c1[nH]c1ccccc21 453380233 ZQGKZVBSRPUAPH-SQNIBIBYSA-N 296.414 3.869 30 20 CHED Cc1ccnc(NC[C@H](Nc2ccccc2)C(C)C)c1C#N 543139002 SPLSCVFZVKQMNG-KRWDZBQOSA-N 294.402 3.810 30 20 CHED C=CCOc1ccc(CC(=O)N(CC=C)C(C)(C)C)cc1 622945726 PYYHMBDVYTXTCK-UHFFFAOYSA-N 287.403 3.607 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(Cl)ccc1OC)OCC 270029144 DCEUELLAOMBQRH-AWEZNQCLSA-N 297.782 3.658 30 20 CHED Cc1csc([C@H](C)CNc2ccc(C#N)cc2)n1 273202214 FJJCOAGYKRKLAX-SNVBAGLBSA-N 257.362 3.539 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(CC)CCC 460963829 PCMNGRLWXIUODQ-ZDUSSCGKSA-N 264.417 3.604 30 20 CHED C=C(CC)CSc1nnc(-c2ccccc2)n1C 540211297 QAQPWTOUJIKTMT-UHFFFAOYSA-N 259.378 3.540 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(SC)c1C 274679268 WIQSBVCFYOEUFP-LLVKDONJSA-N 277.393 3.531 30 20 CHED CC[C@](C)(C#N)c1nc(C2(c3cc(F)ccc3C)CC2)no1 288957157 ACMDOHWXTYXEEK-MRXNPFEDSA-N 299.349 3.788 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCC[C@@H]1c1ccccc1 376990475 ATSIFHQKQGWVHA-MRXNPFEDSA-N 299.418 3.863 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CCc2ccccc2C1 461878528 TXNIRITXCZQWHL-MRXNPFEDSA-N 278.355 3.536 30 20 CHED C=CCC1(C(=O)Nc2ccc3cc[nH]c3n2)CCCC1 556694553 HGNOCQIHJBCKBX-UHFFFAOYSA-N 269.348 3.638 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(C(F)F)cc1 464166442 ANPVDXKBFOAQGB-HNNXBMFYSA-N 280.318 3.682 30 20 CHED C=CCC(CC=C)C(=O)NCc1c(F)cccc1Cl 467325799 HZEIFMUFKXIJBB-UHFFFAOYSA-N 281.758 3.864 30 20 CHED C[C@H](F)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 377125875 JEQHKVDDRSJYCY-NUEKZKHPSA-N 260.356 3.506 30 20 CHED C=CCC(C)(C)CNCc1c[nH]nc1-c1ccc(F)cc1 550227026 LJKGEALDBHKECZ-UHFFFAOYSA-N 287.382 3.908 30 20 CHED CC[C@H](C(=O)N[C@@](C)(C#N)C(C)C)C1CCC(C)CC1 460754004 FLVLABIMKQKKOV-NDTCATRNSA-N 278.440 3.893 30 20 CHED C=CCN(CCc1ccccc1)c1nccc(C#N)c1Cl 553008737 RUUUNOSVQDKNRO-UHFFFAOYSA-N 297.789 3.842 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)c1cccc(C)c1C 280707145 HJENVKRDQWPJHG-UHFFFAOYSA-N 282.343 3.743 30 20 CHED Cc1nc(Oc2ccc(F)c3c2C(=O)C[C@H]3C)ccc1C#N 555535053 HXROKDNBBGCUEJ-SECBINFHSA-N 296.301 3.883 30 20 CHED C[C@H](C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 461735607 ICYYMHCOLOXUTL-TZUPDSNESA-N 296.414 3.603 30 20 CHED CO[C@]1(C)CCCN(c2c(Cl)cccc2C#N)CC1 280199313 JGOFZFSXMHITMY-OAHLLOKOSA-N 278.783 3.607 30 20 CHED Cc1coc(C)c1C(=O)N[C@@](C)(C#N)CCc1ccccc1 283851754 GQMXRQPBRPLWNO-GOSISDBHSA-N 296.370 3.541 30 20 CHED COc1cc(CN[C@H]2CCc3cc(C)ccc32)ccc1C#N 281655561 KJRLIMFWRSFCIZ-SFHVURJKSA-N 292.382 3.652 30 20 CHED C=C(C)CS[C@H](C(=O)N(CC)CC)c1ccccc1 476997269 DLLCWSZEHPHMBJ-HNNXBMFYSA-N 277.433 3.905 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(Cl)c(C)c1 552530946 AXIRJOLOLHIJCL-UHFFFAOYSA-N 279.811 3.909 30 20 CHED C=CCC[C@@H](NCC1(O)CCCCCC1)c1ccco1 552046332 FBVHDLKSTLGGPG-OAHLLOKOSA-N 277.408 3.962 30 20 CHED C=CC[C@@H](C(=O)N1CCC(C)(F)CC1)c1ccccc1 634360178 CETSRNSFZMKZGF-OAHLLOKOSA-N 275.367 3.697 30 20 CHED CCC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 291373294 DIBNXRNYEMKBGB-GJZGRUSLSA-N 272.392 3.625 30 20 CHED C=C(C)CN(C)C(=O)CCCOc1ccc(C)cc1Cl 479247820 PRXNXQRLURYZKK-UHFFFAOYSA-N 295.810 3.842 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 474287611 HTDLGAVXMPZBKA-ZBFHGGJFSA-N 270.376 3.908 30 20 CHED C[C@H](C#N)CN(C)C(=O)CCc1ccc(Cl)c(Cl)c1 299654552 LRCFUEWJIQVJKW-SNVBAGLBSA-N 299.201 3.544 30 20 CHED C=CC(C)(C)C(=O)N1CCC(COc2ccccc2)CC1 294503185 HCJQQWOYJPUWOO-UHFFFAOYSA-N 287.403 3.516 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(OC(F)F)cn2)no1 568139143 YBPSZXMPCSNDJD-AWEZNQCLSA-N 295.289 3.587 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc(C(F)(F)F)[nH]1 807984525 ARHNQUQHWAYPRF-JTQLQIEISA-N 273.302 3.536 30 20 CHED C[C@@H](Cn1ccc2ccccc21)C(=O)OCC1(C#N)CCC1 802765577 KLHPBUOTPIDWAG-AWEZNQCLSA-N 296.370 3.514 30 20 CHED CC[C@@H](C)C(=O)N(Cc1ccco1)c1ccccc1C#N 298410722 XMQMNOHFUBKAOA-CYBMUJFWSA-N 282.343 3.731 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H](C)c1ccccc1F)C(C)(C)C 808315905 NSSRGNCCBFUUKD-DOMZBBRYSA-N 290.382 3.576 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@]1(C)CC(C)C 295747383 IGCGHORJABIVNC-MRXNPFEDSA-N 274.364 3.501 30 20 CHED CCCCSCC(=O)Nc1cc(C#N)c2ccccc2n1 809074600 DHJZDUSZTVQBKX-UHFFFAOYSA-N 299.399 3.578 30 20 CHED COCc1ccccc1/C=C(/C)C=NNc1cccc(F)n1 814230012 VVJJLZWVMZFENS-ZDHPMUAHSA-N 299.349 3.868 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc2c(c1)COC2 812243680 RKEWZLJCZBIMCZ-XQRVVYSFSA-N 298.313 3.761 30 20 CHED CSCCON=C(C)c1nc(-c2ccccc2)cs1 814921773 BBCKYOQYGRMVGS-UHFFFAOYSA-N 292.429 3.914 30 20 CHED C[C@@H](NN=CC1CCC(C)(C)CC1)c1ccncc1 819816850 QMIIYIJXJHNMHK-CYBMUJFWSA-N 259.397 3.934 30 20 CHED CC(=O)c1cc(C(=O)OCC2(C#N)CCCCC2)cs1 816008642 AJIPOEXIWKVEOJ-UHFFFAOYSA-N 291.372 3.582 30 20 CHED CC(C)[C@@H]1N(Cc2ccc(O[C@@H](C)C#N)cc2)CC12CCC2 814171021 HLUSRWMDFMQYAS-YJBOKZPZSA-N 298.430 3.988 30 20 CHED C=CCn1cccc1C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 488963277 VSRNRERECZQTHW-RDJZCZTQSA-N 294.398 3.692 30 20 CHED CC(C)CNN=Cc1c(Cl)cc(Cl)cc1N(C)C 811647131 YIGCSPZUWDLYPE-UHFFFAOYSA-N 288.222 3.639 30 20 CHED C#Cc1ccccc1CC(=O)O[C@H]1CCc2ccc(F)cc21 810606911 WDMFWDJDDWSQMW-SFHVURJKSA-N 294.325 3.580 30 20 CHED CC/C(=C\C(=O)N[C@@]1(C#N)CC1(C)C)c1ccc(C)cc1 813300820 NCGYSLMAAIKVEW-PMXLPMHFSA-N 282.387 3.597 30 20 CHED C=CCC(F)(F)C(=O)NC1(Cc2ccccc2)CCCC1 816094940 KCQVYSRVJQETBA-UHFFFAOYSA-N 293.357 3.870 30 20 CHED CC#CCCNC(=O)N(Cc1cccc(C)c1)CC(C)C 483420035 QZFXULNHXHOOEP-UHFFFAOYSA-N 286.419 3.576 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1nccnc1C1CCC1 814931361 RHZSSVDRZNAWGO-UHFFFAOYSA-N 298.365 3.914 30 20 CHED C[C@H](NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ccncc1 819815098 LXVHYNPNOKOGJZ-LNNMMNKASA-N 269.392 3.544 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2c(c1)CCCCC2 650423802 GAXMEJZXTXSTKB-UHFFFAOYSA-N 272.392 3.995 30 20 CHED CCCCC(COC)=NNc1ccc(F)c(F)c1F 814946800 YQGOBNMHEINRKH-UHFFFAOYSA-N 274.286 3.708 30 20 CHED CCc1nocc1C=NNc1ccc(C(C)(C)C)cc1 814900929 OQERLMGJDLRESF-UHFFFAOYSA-N 271.364 3.981 30 20 CHED N#CC1(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)CCC1 573756863 KCQDTVPGVDYVRT-DLBZAZTESA-N 290.366 3.506 30 20 CHED C=CCCCCOC(=O)c1nc(C(C)C)oc1C 811010541 BTLIQSDLXWIXDC-UHFFFAOYSA-N 251.326 3.620 30 20 CHED Cc1cc(C)c2cc(CN[C@H]3CCC[C@@H]3C#N)[nH]c2c1 482514040 SFKJHTKEGBZNLG-CJNGLKHVSA-N 267.376 3.567 30 20 CHED C#CCCCCNC(=O)NCc1ccc2sccc2c1 811894209 PRPJKQDZCBCSFY-UHFFFAOYSA-N 286.400 3.504 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CC2CCC1CC2 816016759 ZQVFFJAOWLTNFV-VXGQWTEUSA-N 298.386 3.742 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1ccc(C#N)nc1 572155642 NXISOXVPUDCAMS-OLZOCXBDSA-N 257.381 3.604 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CCC1CCCC1 488293016 ZXEVKZCPZHWFJB-NVXWUHKLSA-N 293.451 3.929 30 20 CHED C[C@H]1SCCC1=NNc1cccc2cnccc12 814836128 JFYRNUDUIKFKOI-SNVBAGLBSA-N 257.362 3.528 30 20 CHED C=C[C@H]1CCCCN1C(=O)COc1ccc2ccccc2c1 488834007 WNJBWFOPYKXGKY-KRWDZBQOSA-N 295.382 3.786 30 20 CHED C=CCC[C@@H](C(=O)NCc1ccc(F)cn1)c1ccccc1 489974936 YAVIJTIGZRPCQH-QGZVFWFLSA-N 298.361 3.587 30 20 CHED N#CCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 485859062 LUVLSJLCQIRORH-ZACQAIPSSA-N 254.377 3.558 30 20 CHED C=CCC(F)(F)C(=O)NC[C@@H]1CCCCC(F)(F)C1 816789398 NRBRDBLVYIYHES-SNVBAGLBSA-N 281.293 3.530 30 20 CHED CC[C@H](C=NNc1ncccc1F)c1ccccc1 814926720 GMHBDIRKMNWPCU-GFCCVEGCSA-N 257.312 3.812 30 20 CHED C=CCCC(CC)=NNc1nc(-c2ccccc2)no1 726737890 GHHADKDDAKAJKI-UHFFFAOYSA-N 270.336 3.881 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCOC2(CCCCC2)C1 480316674 CEPMGHBQZUOTBV-AWEZNQCLSA-N 279.424 3.587 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(OC)c(Cl)c1 575216454 UZNKPHVOSBQNHD-LLVKDONJSA-N 253.773 3.965 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC1(C)C 489232934 OKAGWIMXGAUMDC-INIZCTEOSA-N 299.418 3.526 30 20 CHED CC[C@@H]1CC[C@H](C)N1Cc1ccc(Cl)cc1C#N 480862148 BWZDBKYHXWMSEF-XHDPSFHLSA-N 262.784 3.975 30 20 CHED CCN(CCc1cccc(C)n1)[C@@H](C)c1ccc(C#N)cc1 574154070 ONTGSCQQVQSQLF-INIZCTEOSA-N 293.414 3.887 30 20 CHED C=CCCC[C@@H](C)N1CCC[C@H](C(C)(C)C(=O)O)C1 652497764 GVLCEOMTAHMMNU-KGLIPLIRSA-N 267.413 3.554 30 20 CHED C[C@@H](CC#N)N(C)C(=O)/C=C\c1ccc(C(C)(C)C)cc1 728873896 BSFGJQHKEHJXCY-MSKHEQNASA-N 284.403 3.758 30 20 CHED Cc1cc(N2CCC[C@](C)(c3ccccc3)C2)cc(C#N)n1 571667245 BCRQWNBPPHGTIJ-IBGZPJMESA-N 291.398 3.820 30 20 CHED C=CCC[C@H](C)Nc1cnn(C)c1-c1ccccc1 573433862 FGYOWYNHSHXHIF-ZDUSSCGKSA-N 255.365 3.854 30 20 CHED CN(CC(C)(C)C#N)C(=O)Cc1cccc(Cl)c1Cl 497320371 VYAXLSQIOZWOHD-UHFFFAOYSA-N 299.201 3.544 30 20 CHED C=CCCOC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 729072553 QXPPZSFJSLSNMB-UHFFFAOYSA-N 299.248 3.799 30 20 CHED C#Cc1cccc(NC(=S)N2CC[C@@H]2c2ccccc2)c1 726470832 VOWSTCBMGYTWSU-QGZVFWFLSA-N 292.407 3.812 30 20 CHED CCS[C@@H]1CC[C@H](N(C)C(=O)CCCCCC#N)C1 588649745 CFIXSDVMGKCWAF-UONOGXRCSA-N 282.453 3.593 30 20 CHED O=C1/C(=C/c2ccc(Cl)s2)Cc2cc(O)ccc21 588535266 VBLMXPDKBSDFRI-VQHVLOKHSA-N 276.744 3.930 30 20 CHED CC(C)CO[C@@H]1CC(=NNc2ncccc2Cl)C1(C)C 737430283 OKVAYPDNKTYXJB-CYBMUJFWSA-N 295.814 3.974 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cc(C)cc(C)c2)cc1 589080496 FYXWBRMPILHYJA-GOSISDBHSA-N 292.382 3.861 30 20 CHED CC1(C(=O)OCCCCC2(C#N)CCC2)CCC(=O)CC1 909383232 RKFPJJPNHVNUMY-UHFFFAOYSA-N 291.391 3.543 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ccc(F)cc2)o1 732762093 SHLWODJVWNNMNI-IINYFYTJSA-N 258.296 3.988 30 20 CHED C=CC[C@H](CC)NC(=O)CCCc1ccc(F)cc1 584180495 QBSHPRKHBURHGO-HNNXBMFYSA-N 263.356 3.619 30 20 CHED C[C@@H]1CCN(C(=O)CCCCCC#N)[C@@H]2CCCC[C@@H]12 588635044 PQBIOFFIFFAZAU-OWCLPIDISA-N 276.424 3.888 30 20 CHED Cc1cc(NN=C2C[C@@H](C)n3ccnc32)ccc1Cl 905507974 AQTHQGPJABENPT-SNVBAGLBSA-N 274.755 3.626 30 20 CHED CC[C@@H](CC(=O)N(C)CC(C)(C)C#N)c1ccc(C)cc1 497356556 ANUDLGXPPUQIGL-HNNXBMFYSA-N 286.419 3.887 30 20 CHED CC(C)NC(=S)Nc1ccccc1SC[C@@H](C)C#N 730955049 SRTMLSNRYWNRER-NSHDSACASA-N 293.461 3.633 30 20 CHED CCCc1coc(NC(=O)c2ccc(C(C)(C)C#N)cc2)n1 581556579 LKUVIRVAHGLGAJ-UHFFFAOYSA-N 297.358 3.681 30 20 CHED C=CCCCCN(Cc1ccccc1)C[C@@H](C)C(=O)O 580779024 VFBPSRIBYSZONO-OAHLLOKOSA-N 275.392 3.566 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccccc2OCC2CC2)C1 839052092 PERXCCMJUJUYLB-CABCVRRESA-N 299.370 3.715 30 20 CHED C[C@@H]1CN(C)c2ccccc2N(Cc2cc(C#N)cs2)C1 580636238 TZJXBNQQTMCURI-CYBMUJFWSA-N 297.427 3.712 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(OCC(F)(F)F)c1 837339976 CFGUOBLDOVPPND-UHFFFAOYSA-N 299.292 3.616 30 20 CHED C#CCC[C@H](C)OC(=O)C[C@H](C=C)c1ccccc1 839037062 LSHPFSBAXYQPOV-GJZGRUSLSA-N 256.345 3.691 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)C1CC1 839892773 ZZTJDZMOTHPAEU-RHSMWYFYSA-N 271.404 3.726 30 20 CHED CCC(=O)c1ccc(OC(=O)[C@]2(C#N)CC23CCCC3)cc1 839211618 PZQZNKDGNLNTHN-GOSISDBHSA-N 297.354 3.659 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ccc(C#N)cn1 730747685 XBJNQSFEXQGBEQ-AWEZNQCLSA-N 287.407 3.680 30 20 CHED N#CCc1cccc(NC(=O)NC2CCCCCCC2)c1 836762928 DDDBSNUYBJCRTP-UHFFFAOYSA-N 285.391 3.987 30 20 CHED CC(=NNC(=S)Nc1cccnc1)[C@@H]1CCCC[C@@H]1C 834922300 NZVHNAXHGBTLLF-SMDDNHRTSA-N 290.436 3.570 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc(Br)cc1F 839034042 LKLKVEPQRKVHIO-VIFPVBQESA-N 299.139 3.547 30 20 CHED C#CC1CCN(C(=O)Nc2cccc(SCC)c2)CC1 831461256 IQJAOZFKJWXNIH-UHFFFAOYSA-N 288.416 3.676 30 20 CHED CC(C)c1ncsc1C(=O)OCC1(C#N)CCCCC1 835282245 PJNSSKITOXTROZ-UHFFFAOYSA-N 292.404 3.897 30 20 CHED C=C(C)CNC(=S)N(c1ccccc1)C1CCCC1 731159638 KMNJLSHPTYETOH-UHFFFAOYSA-N 274.433 3.886 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCc2cc(Cl)cs2)C1 839057190 WXSDQWCQTBEFAU-JQWIXIFHSA-N 297.807 3.960 30 20 CHED CCCCNN=Cc1csc(-c2ccc(C)cc2)n1 918713095 VCUSADHCVKBHHZ-UHFFFAOYSA-N 273.405 3.842 30 20 CHED C#Cc1cccc(NC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)c1 916648640 ZULGECUNOTYVLS-JYJNAYRXSA-N 282.387 3.616 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)C1(C)C 596218659 KUDOHDZDIREKRN-VHSXEESVSA-N 299.827 3.672 30 20 CHED CC(C)[C@H](C#N)c1ccc(-c2cnc3c(c2)CC(=O)N3)cc1 596637783 ORSNRJNVZXOGTD-INIZCTEOSA-N 291.354 3.506 30 20 CHED N#CC1(CC(=O)N[C@@H]2CCCc3occc32)CCCCC1 596732224 QCMNCRJSXOASNH-CQSZACIVSA-N 286.375 3.637 30 20 CHED N#C[C@@H](c1ccccc1)N1CCCO[C@H](c2ccccc2)C1 595300262 OGEXOUYPRRWXSC-OALUTQOASA-N 292.382 3.715 30 20 CHED CC#CCOC(=O)c1cc(C2CC2)nc2ccc(C)cc12 747048078 GYXVYNOFBAUJGJ-UHFFFAOYSA-N 279.339 3.601 30 20 CHED C=CCCCOC(=O)[C@H](C)CCc1ccccc1F 745576988 QPGNQOKAYUUBRD-CYBMUJFWSA-N 264.340 3.904 30 20 CHED CC(C)N(CC(F)(F)F)C(=O)CC1(C#N)CCCCC1 598807939 NRMQEDNDVXGPLY-UHFFFAOYSA-N 290.329 3.650 30 20 CHED C=CC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccncc1 846144239 KAZUDXYSVJALES-CJNGLKHVSA-N 298.386 3.764 30 20 CHED C#CCNc1ccccc1C(=O)Nc1ccc(Cl)cc1 746470113 GAYNOKKNHNHXRP-UHFFFAOYSA-N 284.746 3.637 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@@](O)(CC)c1ccccc1 840412094 KTYKQQGTNAINNU-QAPCUYQASA-N 289.419 3.535 30 20 CHED CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(C#N)nc1 593272955 GUXNNFFZSMDKEZ-QLFBSQMISA-N 297.402 3.523 30 20 CHED CCCCCCCNC(=O)[C@@H](C)Oc1cccc(C)c1 916663169 RHYHMBDUUBKZTQ-OAHLLOKOSA-N 277.408 3.849 30 20 CHED CCN(CCCSCC#N)c1ccc(Cl)cc1 745984150 NCWNTBHWWBUKQH-UHFFFAOYSA-N 268.813 3.813 30 20 CHED C[C@H]1/C(=C/c2c(C3CC3)cnn2C)C(=O)c2ccccc21 849249589 JNBYTMRKKSMUCW-PDICVPPASA-N 278.355 3.681 30 20 CHED Cc1csc(CSCCc2ccc(C#N)cc2)n1 596342616 HYFSHEKIPSKZDT-UHFFFAOYSA-N 274.414 3.799 30 20 CHED C[C@H](Cc1cccs1)NC(=O)CC1(C#N)CCCCC1 596784086 REQOVIWYBRGFSK-CYBMUJFWSA-N 290.432 3.659 30 20 CHED C=CC[C@@H](NC(=O)N1[C@H](C)CCC1(C)C)c1ccncc1 919004826 VZYDYNQYZZLHIG-UKRRQHHQSA-N 287.407 3.671 30 20 CHED CO[C@@H](CSCC1(CC#N)CC1)Cc1ccccc1 596370121 QYUOGVTXNIDQDD-OAHLLOKOSA-N 275.417 3.671 30 20 CHED C=CCC1(C(=O)OCc2ccncc2Cl)CCC1 842853522 AHEFPYUMEPBRKH-UHFFFAOYSA-N 265.740 3.525 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)c(F)c1)C(C)C 916708984 MRAVERSUTBVDDU-UHFFFAOYSA-N 270.735 3.907 30 20 CHED C=C[C@H](CC)OC(=O)Cc1c(C)nc([C@H](C)CC)nc1C 847675526 XIESJAYZJFKGSS-BXUZGUMPSA-N 290.407 3.657 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 847167259 IBVUMGPVCYUPJV-ONOODXEBSA-N 284.403 3.758 30 20 CHED COC[C@H](CC(C)(C)C)NCc1ccc(C#N)c(Cl)c1 593625127 SOSXHYPGCZTMSB-AWEZNQCLSA-N 294.826 3.752 30 20 CHED C=CCN(C(=O)[C@@H](SC)c1ccccc1)C(C)(C)C 598865259 BIQYFKIOKWSYEX-AWEZNQCLSA-N 277.433 3.904 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 593457907 NWSHGVPJGAUADL-RYUDHWBXSA-N 299.399 3.537 30 20 CHED C=CCCC(C)(C)NC/C=C\c1ccccc1[N+](=O)[O-] 594998074 GFEIPZFBWGLKBY-NTMALXAHSA-N 274.364 3.942 30 20 CHED CO[C@@H](C)C(C)=NNc1ccc(C(F)(F)F)cc1 746578054 JZARTHCRKCNRKI-VIFPVBQESA-N 260.259 3.528 30 20 CHED CC(C)C#CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 847028735 VPWHRLGDCGIWKW-SMDDNHRTSA-N 296.197 3.625 30 20 CHED Cc1cc(/C=C2\Cc3ccc(F)cc3C2=O)cc(C)c1O 749005483 KICGBSAGMKOHJG-VGOFMYFVSA-N 282.314 3.971 30 20 CHED C=C(C)CONC(=O)Nc1cccc(Cl)c1OC(C)C 844539085 HNDHFBQBSGPDHV-UHFFFAOYSA-N 298.770 3.756 30 20 CHED N#C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 928218099 XOCICXZXQKMQIO-CGTJXYLNSA-N 296.414 3.723 30 20 CHED CCc1ccc(-c2ccc(C(=O)O[C@@H](C#N)CC)o2)cc1 753413254 DHDHVHPZVIQWFY-CQSZACIVSA-N 283.327 3.968 30 20 CHED COc1ccc(NN=C(C)c2cccc(OC)c2)cc1 750921320 GSALZTIXEXMOCL-UHFFFAOYSA-N 270.332 3.540 30 20 CHED CCC1(CC)CCN(c2snc(Cl)c2C#N)C1 756143004 WGYVVDUGEQDZPP-UHFFFAOYSA-N 269.801 3.685 30 20 CHED C=CCCONC(=O)c1cccn1[C@@H](C)Cc1ccccc1 856034272 KDNXBCBLQYDYOP-HNNXBMFYSA-N 298.386 3.529 30 20 CHED CC[C@@H](C)n1ncc(N[C@@H](C)CC(C)(C)C#N)c1C 926274967 DKQCFJDMXYJVKO-NWDGAFQWSA-N 262.401 3.903 30 20 CHED CC(C)(C#N)C[C@@H](O)CNc1ccc2ccccc2c1 857238495 SDMIWNTZVLASEK-MRXNPFEDSA-N 268.360 3.552 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@H]1CCc2ccccc21 851208665 AILNBIBTDFJUCP-DZGCQCFKSA-N 285.387 3.978 30 20 CHED N#CCCCCOC(=O)c1cc2ccccc2s1 755144397 JOQUIPVJOBSNPC-UHFFFAOYSA-N 259.330 3.752 30 20 CHED C=CCCOC(=O)[C@@H](C)Cc1ccccc1Cl 754297376 FDOBTPMQOFVROG-NSHDSACASA-N 252.741 3.638 30 20 CHED CN(C)c1ccc(C=NNCc2cccc(Cl)c2)s1 756828069 WERIQGGLUHOMHT-UHFFFAOYSA-N 293.823 3.591 30 20 CHED CC(C)[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1cccnc1 851204252 NIHYKBCMXSWTED-HIFRSBDPSA-N 288.391 3.693 30 20 CHED C[C@@H]1CCCCN1N=Cc1csc(Br)c1 853380763 SMOJRIUBFJWQEO-SECBINFHSA-N 287.226 3.719 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(F)cccc1-n1cccn1 932203173 ICFFJDZMODZCGM-LBPRGKRZSA-N 287.338 3.552 30 20 CHED C=C[C@@H](CC(=O)OCCOCC(C)C)c1ccccc1 759726894 XXNVPNULCPVBFG-HNNXBMFYSA-N 276.376 3.562 30 20 CHED CC[C@@H](C)n1nc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1C 851208338 RXJISKCNVGPQBZ-YPMHNXCESA-N 291.395 3.648 30 20 CHED N#Cc1ccsc1NC(=O)NC1(Cc2ccccc2)CC1 931837543 JABNHIXQHGJWHQ-UHFFFAOYSA-N 297.383 3.517 30 20 CHED C#CC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C)c1ccccc1 757003900 RGWYIXFWCXDDAF-OIISXLGYSA-N 284.403 3.629 30 20 CHED C[C@H](C#N)COC(=O)c1cc(C(F)(F)F)ccc1Cl 860615393 TYHIQJIPQWFQRH-SSDOTTSWSA-N 291.656 3.675 30 20 CHED Cc1ccc(-c2ccc(C=NNc3cnn(C)c3)s2)cc1 761870706 TWAJMNODOWWHSW-UHFFFAOYSA-N 296.399 3.903 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C 862356936 IXKUPEPAJCAGKT-KGLIPLIRSA-N 281.440 3.714 30 20 CHED N#CC1(CCCCN2CC[C@H](C3CCOCC3)C2)CCC1 930098228 VHEHNBJAAUYRGS-KRWDZBQOSA-N 290.451 3.599 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCc1cccc2ccccc12 865164632 KZNSNZSJZSAFMX-CQSZACIVSA-N 280.371 3.533 30 20 CHED Fc1ccccc1CCNN=Cc1c[nH]c2cccc(F)c12 763358876 YOPCNZJYNVHFQD-UHFFFAOYSA-N 299.324 3.612 30 20 CHED N#CC1(COC(=O)CCc2ccc(Cl)c(F)c2)CCC1 860420456 BIXSJQPTNKKYOC-UHFFFAOYSA-N 295.741 3.649 30 20 CHED CC[C@@H](C)CCCCC(=O)OCC1(C#N)CCC1 768103109 FGLRWVHEHDCANV-CYBMUJFWSA-N 251.370 3.830 30 20 CHED C#CCCCSc1nnc(-c2cccc(C)c2)n1CC 766283536 HLZZNAYFCSSIHU-UHFFFAOYSA-N 285.416 3.779 30 20 CHED CCCCN(Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 768291953 SGDBQIYPVLNYDV-CQSZACIVSA-N 272.392 3.742 30 20 CHED CC(=NNc1cccc(C#N)c1)c1cc(Cl)ccc1O 767336549 RMYDQEBJLNPAQY-UHFFFAOYSA-N 285.734 3.753 30 20 CHED C[C@H]1CCc2c(F)cccc2C1=NOCC(F)(F)F 764847480 RKMHTXHTVIHIHQ-QMMMGPOBSA-N 275.245 3.691 30 20 CHED C[C@H]1CC(C)(C)C[C@H]1NCc1cc(C#N)ccc1F 766213054 CKTPAOUIGDAMFS-XHDPSFHLSA-N 260.356 3.612 30 20 CHED CC(=NNc1ccc(C(=O)O)cn1)c1ccc(C(C)C)cc1 763370404 PIBSVRFWPQQBER-UHFFFAOYSA-N 297.358 3.739 30 20 CHED CCCCN(C)c1ccc(NCc2cccc(C#N)n2)cc1 876857957 LFNPKKRYSXCUQT-UHFFFAOYSA-N 294.402 3.802 30 20 CHED N#CC1CCC(CNCc2cccc3ncccc23)CC1 873122120 OEBLKIXEWPOSBE-UHFFFAOYSA-N 279.387 3.654 30 20 CHED CC(=NOCCC(F)(F)F)c1nc2c(s1)CCCC2 777459734 UHNLBRFPYBCYSA-UHFFFAOYSA-N 292.326 3.715 30 20 CHED C[C@H](OC(=O)[C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 776335413 ZTNFCPSZKAZVAB-XUJVJEKNSA-N 257.333 3.599 30 20 CHED C#CCN[C@H](c1cccc(C(F)(F)F)c1)C(C)C 774371191 QTMBTJFRUGBADO-ZDUSSCGKSA-N 255.283 3.625 30 20 CHED C[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(F)cc1F 1116632985 JEPPROLIPFXOLM-QFYYESIMSA-N 294.345 3.513 30 20 CHED C=CCSCCN[C@@H](CC)c1ccc2c(c1)CCCO2 772952542 HOCFSZLIMRNAFZ-INIZCTEOSA-N 291.460 3.972 30 20 CHED CCOCCON=Cc1ccc(-c2ccc(F)cc2)s1 774413521 BWWVSHPOUCUXEU-UHFFFAOYSA-N 293.363 3.941 30 20 CHED CC(=NOC1CCCCC1)c1ccc(OCC#N)cc1 777456626 DOUZBEZIJBMQLG-UHFFFAOYSA-N 272.348 3.662 30 20 CHED C#CCCCCCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 779742610 KCUALSFWSKLADT-UHFFFAOYSA-N 288.347 3.734 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Cl)c(C#N)c1 779764327 YBJTXEUFLXYYNE-UHFFFAOYSA-N 274.751 3.734 30 20 CHED CC[C@H](C#N)OC(=O)c1sc(C2CCCCC2)nc1C 775255240 MPUMCEQNLNGUNX-GFCCVEGCSA-N 292.404 3.958 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1ccncc1 779655105 DGKNAFGZCNDCHB-OAHLLOKOSA-N 276.424 3.737 30 20 CHED CCCCC[C@H](CC)C(=O)N[C@@H](C#N)CC(C)C 775695589 NYLOHAFBPCYHTM-UONOGXRCSA-N 252.402 3.647 30 20 CHED C=CC[C@@H](C(=O)O[C@H](C)c1ncc(C)o1)c1ccccc1 778419206 QUFKBORXLAEGJI-UKRRQHHQSA-N 285.343 3.947 30 20 CHED C=CCC1(O)CCN([C@H](C)c2cccc(Cl)c2)CC1 886761594 HKSGLTZGGNATBI-CYBMUJFWSA-N 279.811 3.804 30 20 CHED N#Cc1ccc(F)c(NC(=O)C2[C@H]3CCCCCC[C@H]23)c1 1129715861 SCPBTRBQCUIGRH-STQMWFEESA-N 286.350 3.852 30 20 CHED C=CCCCOC(=O)c1cnn(C2CCCCC2)c1C 781306360 TYMQHEZZYHBUNG-UHFFFAOYSA-N 276.380 3.820 30 20 CHED Cc1ccc(N2CCC[C@H]2c2ccsc2)c(C#N)n1 881809937 PWVOSPPEWXLLEC-AWEZNQCLSA-N 269.373 3.665 30 20 CHED C[C@H](OC(=O)c1ccc(Cl)nc1)c1cccc(C#N)c1 782007453 UIBFTCVAWXCMPN-JTQLQIEISA-N 286.718 3.525 30 20 CHED Cc1ccc([C@H](C)Nc2nc3ccccn3c2C#N)s1 782292080 XRMLSUOUUIIQBD-NSHDSACASA-N 282.372 3.749 30 20 CHED COCCON=Cc1c(Cl)cccc1SC(C)C 786037293 PJTLXHLZHNQUHR-UHFFFAOYSA-N 287.812 3.837 30 20 CHED C=C[C@@H](C)OC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F 781569109 VNDIHQJTJUZVFF-SNVBAGLBSA-N 293.338 3.542 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(F)c([C@@H](C)O)c1 894435405 OVVFHEGPZKTZPH-GHMZBOCLSA-N 264.344 3.619 30 20 CHED C=CCC1(c2nc([C@@H](C)OCC(F)(F)F)no2)CCC1 896611395 QFDOMYIELLBPEC-SECBINFHSA-N 290.285 3.707 30 20 CHED C#CCNC(=O)[C@@H](C)S[C@@H](C)c1ccc(C(C)C)cc1 783906276 HOKQGSUGXWPNNF-UONOGXRCSA-N 289.444 3.742 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2ccccc2O[C@@H](C)C#N)o1 780153561 KFWXEXQZNNSTIC-QWHCGFSZSA-N 298.342 3.621 30 20 CHED N#CCCN(Cc1ccc(Br)cc1)CC1CC1 81044103 RQTIITTVHISEQX-UHFFFAOYSA-N 293.208 3.575 30 20 CHED C=CCCCCCON=C(N)c1nccc2ccccc12 783022935 DRXBVJPBKGCJHW-UHFFFAOYSA-N 283.375 3.618 30 20 CHED C=C1CC(c2noc(CCSc3ccccc3)n2)C1 896889908 DQIDRLSMUQTXOM-UHFFFAOYSA-N 272.373 3.838 30 20 CHED CCCCCCCCNC(=O)NCC[C@H]1CCO[C@@H](C)C1 784388762 OKLGORVSXSTJSJ-HOTGVXAUSA-N 298.471 3.851 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1cn(C)c2ccccc12 794934436 KWRCIRWZPOTZNP-CMDGGOBGSA-N 293.370 3.852 30 20 CHED CC1CCC(OCC(=O)OCCCCC(C)(C)C#N)CC1 795949118 DIIZHHDQRYNNRK-UHFFFAOYSA-N 295.423 3.845 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(C(=O)N2CCCC2)cc1 798081760 WHDSJTCVLILRDM-CABCVRRESA-N 286.419 3.935 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC[C@@H]2CCF)cc1 794866093 PNTMZXTUKNJTIX-GFCCVEGCSA-N 293.411 3.797 30 20 CHED C=CCNN=C1CCC(O)(c2ccc(C(C)C)cc2)CC1 794999272 FOMLJUSKVIDNEP-UHFFFAOYSA-N 286.419 3.703 30 20 CHED COCCCON=C1CC2(CCCC2)Oc2ccccc21 795052912 DUQWOPNCPYDPOA-UHFFFAOYSA-N 289.375 3.539 30 20 CHED Cc1ccc(C)c(COC(=O)c2ccc(F)c(C#N)c2)c1 792323214 CQTGALBPDULNJJ-UHFFFAOYSA-N 283.302 3.671 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@H](C(C)C)C2)n1 794446941 FEVULVYDPUQTJQ-ZDUSSCGKSA-N 260.385 3.708 30 20 CHED C#CCCN1CCC(F)(c2ccccc2C(F)(F)F)CC1 799176490 VPZBYRLLAHHBHK-UHFFFAOYSA-N 299.311 3.989 30 20 CHED N#Cc1ccc(OCc2ncccc2Cl)cc1Cl 707357976 RWKMUJLQOXZMCV-UHFFFAOYSA-N 279.126 3.839 30 20 CHED COc1ccc(CNN=C2CCC[C@H]2c2ccccn2)cc1 794895582 FMVIKXGVFZAUFQ-INIZCTEOSA-N 295.386 3.504 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 796461433 GSVCOOCDCRZJJD-UHFFFAOYSA-N 297.738 3.894 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1F 63060131 DBYWNXDEZSKGSM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1cccc(C2(NC(=S)Nc3ccsc3)CC2)c1 790317154 XUJDIHFTWYLGBA-UHFFFAOYSA-N 299.424 3.595 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cn(C(C)C)nc2C)c(O)c1 799896735 YGJGJQXWUWSYJC-SREVYHEPSA-N 298.386 3.991 30 20 CHED CCc1cccc(C)c1NN=Cc1c(CC)nn(C)c1CC 799493635 JVLYWWOFSLJUOT-UHFFFAOYSA-N 298.434 3.862 30 20 CHED N#Cc1ccc(C=NNCc2cccc(Cl)c2Cl)o1 790180237 CVQPJRZERSWPBM-UHFFFAOYSA-N 294.141 3.582 30 20 CHED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1ccnc(F)c1 794720083 PUDRPNLBRHSXLY-UPHRSURJSA-N 281.208 3.534 30 20 CHED Cc1ccc(C(=O)N2CCCC[C@@H]2C(C)C)cc1C#N 799341376 OFDJJKLTUWGZCQ-MRXNPFEDSA-N 270.376 3.517 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H]1c1ccccc1Cl 593412610 LOPZYSBBTKEMCW-RISCZKNCSA-N 276.767 3.553 30 20 CHED N#Cc1csc(CNc2cccc3ncccc23)c1 93684970 QFHZPVVHLHNMGU-UHFFFAOYSA-N 265.341 3.780 30 20 CHED N#Cc1cnccc1S[C@H]1CCOc2ccccc21 1306996119 KFJSGYVWPHYWNL-HNNXBMFYSA-N 268.341 3.569 30 20 CHED Cc1cc(C#N)nc(-c2cc(Cl)cc(Cl)c2)n1 1222582344 UELOIEOCLBPOCA-UHFFFAOYSA-N 264.115 3.631 30 20 CHED Cc1ccc([C@@H]2C[C@H]2Nc2c(C#N)cccc2C#N)cc1 1307148694 XRFQZUJKJANAEH-DLBZAZTESA-N 273.339 3.706 30 20 CHED Cc1cscc1CNc1nc(C#N)c(Cl)s1 1163200221 PDBRGGHDNXGHOB-UHFFFAOYSA-N 269.782 3.650 30 20 CHED CC(C)(C)c1ccc(NN=C2CCc3ccccc32)nn1 1318574561 CQXHEEWTCNHGJK-UHFFFAOYSA-N 280.375 3.537 30 20 CHED Cc1nnc(NC[C@H]2CCCC(C)(C)C2)c(C#N)c1C 1640036373 WECAAXLYJXAIJO-ZDUSSCGKSA-N 272.396 3.593 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC/C=C\C1CC1 1324733437 AJMXLLDJIKHDNU-TWGQIWQCSA-N 284.403 3.741 30 20 CHED C[C@@H](CC(=O)Nc1ccccc1)Nc1cc(F)cc(C#N)c1 1179353737 VWUJTTLJIJEGAD-LBPRGKRZSA-N 297.333 3.527 30 20 CHED CSc1ccccc1COC(=O)CC#Cc1ccccc1 1320806759 SLIBLILPUIBMIW-UHFFFAOYSA-N 296.391 3.894 30 20 CHED CC(C)c1cccc(-c2nnc(-c3ccc(C#N)cc3)o2)n1 1329567336 HMNCKBARNRQXCH-UHFFFAOYSA-N 290.326 3.794 30 20 CHED C=C1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)CC1 1336410521 KEEBBERBDWCAGT-UHFFFAOYSA-N 285.297 3.541 30 20 CHED CC[C@@H](Nc1nc(C)cc(C)c1C#N)c1c(C)noc1C 1336425280 CZKPCYOJJDWRAG-CQSZACIVSA-N 284.363 3.738 30 20 CHED Cc1cccnc1COc1nc(C(C)(C)C)ccc1C#N 1330815879 HQOZNTZNZZPAAH-UHFFFAOYSA-N 281.359 3.533 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1cccs1 1336759057 LMPSBUIOGIXTFU-CYBMUJFWSA-N 263.406 3.638 30 20 CHED C=C[C@H](Cc1nnc(-c2cccnc2)o1)c1ccccc1 1345635475 BTOQKZXPOHNOTR-CYBMUJFWSA-N 277.327 3.644 30 20 CHED Cc1cccc2oc(C(=O)O[C@@H]3CC[C@H](C#N)C3)cc12 1344490066 RAQZNDFHKMXHIG-NWDGAFQWSA-N 269.300 3.590 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1c(F)cccc1Cl 1347981817 ZFYVGZJEBIZYOA-VIFPVBQESA-N 255.720 3.623 30 20 CHED C=C(CC)C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 1348506948 QMQLPELUDPUGKA-IUODEOHRSA-N 273.376 3.860 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)c1ncccc1C 1358474043 FRRIGMADNCRCTR-OAHLLOKOSA-N 289.423 3.839 30 20 CHED CC1(C)C[C@]1(C)Nc1nccc(Oc2cccc(C#N)c2)n1 1458498152 UQDNAXJDWWIXRB-KRWDZBQOSA-N 294.358 3.741 30 20 CHED CCC1CN(c2cc(C)c(C#N)c3nc4ccccc4n23)C1 1458421697 OEZINACVRJKCDL-UHFFFAOYSA-N 290.370 3.514 30 20 CHED C[C@H](OC(=O)c1csc(C#N)c1)c1nc2ccccc2o1 1520012256 VDENPZYOOIXUHI-VIFPVBQESA-N 298.323 3.679 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@H](CC#N)c2ccccc2)[C@@H]1C 1525767056 SVIMHVJTZILFPS-SRABZTEZSA-N 284.403 3.625 30 20 CHED Cc1ccc2c(c1)CCN2Cc1ccc(C#N)cc1C 1460054874 XHIXOAWJUHOABT-UHFFFAOYSA-N 262.356 3.738 30 20 CHED N#Cc1ccc(COc2ccc3cc(C(=O)O)oc3c2)cc1 1601102547 SSTFOOILUZHJOD-UHFFFAOYSA-N 293.278 3.582 30 20 CHED C=CC[C@H](N[C@H](C)c1cccc2ccccc12)C(=O)O 1602841744 FDGUJJYBISZLHI-WBMJQRKESA-N 269.344 3.520 30 20 CHED Cc1ccc(CSc2ccc(C(=O)O)nc2C#N)cc1C 1607785388 GCAZHEATNGUFGE-UHFFFAOYSA-N 298.367 3.561 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1nc(Cl)cs1 1474387457 OVTXFBSXGDDIQM-SECBINFHSA-N 293.779 3.699 30 20 CHED N#Cc1ccc(NCc2ccnc(-c3ccccc3)c2)nc1 1472847401 XEIUNGWKJAUTQA-UHFFFAOYSA-N 286.338 3.627 30 20 CHED C=C[C@@H](C(=O)N1CCCC[C@@H]1C(F)F)c1ccccc1 1548700944 HVTGRPZRYNJIOH-ZIAGYGMSSA-N 279.330 3.602 30 20 CHED CO[C@](C)(CN1CCC(c2ccc(C#N)cc2)CC1)C1CC1 1561026705 LEGRDFLJUHFTNE-LJQANCHMSA-N 298.430 3.553 30 20 CHED N#Cc1ccc(F)cc1CN1CCC[C@H]2CCCC[C@@H]21 229956771 VDNABBHORNTQNM-DYVFJYSZSA-N 272.367 3.852 30 20 CHED CCC[C@@H](Nc1cc(C#N)nc(CC)n1)c1ccccc1 1649310687 PIBDECPBCXUEFH-OAHLLOKOSA-N 280.375 3.864 30 20 CHED CN(Cc1cc(C#N)ccn1)c1cccc2ccccc12 1644411028 SQWXPCGKHXDLBM-UHFFFAOYSA-N 273.339 3.743 30 20 CHED N#C[C@@H]1CC[C@H](S[C@@H]2CCOc3ccccc32)C1 1640989897 CZUNPABYHUBXFI-TYNCELHUSA-N 259.374 3.936 30 20 CHED N#Cc1ccc(CSc2ccc(Cl)cn2)s1 1652601255 YDXWWWKJVUOJCT-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C=CCC[C@H]1CCCN1Cc1ccc(C)c(C(=O)O)c1 1588782626 XAGZTFIRDBQHIS-HNNXBMFYSA-N 273.376 3.624 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc3c2CCCC3)C1 1583566642 YOIYUXAHAVBFFC-DZGCQCFKSA-N 283.371 3.805 30 20 CHED CCc1nc(C#N)cc(N[C@@H](c2ccccc2)C2CCC2)n1 1655108887 AJVFRAGGYXRNAJ-SFHVURJKSA-N 292.386 3.864 30 20 CHED N#CCc1cccc(NCc2ncc(-c3ccccc3)[nH]2)c1 1662474586 YAIPTKFAIUOCRO-UHFFFAOYSA-N 288.354 3.755 30 20 CHED C=C(Cn1c(C)nnc1N(C)C[C@@H](C)CC)c1ccccc1 1760362389 JIJUBUVPWBVQTC-AWEZNQCLSA-N 298.434 3.782 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1ccc(F)c(C(=O)O)c1)C2 1777455765 XEWKEVYHPJSGAC-QPEQYQDCSA-N 296.297 3.655 30 20 CHED CC[C@H](C)[C@@H]1CCC(=NNc2ccc(C(=O)O)cc2)C1 1776012816 PGZFVDFRBSOLQE-WCQYABFASA-N 274.364 3.999 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc(F)c(C)c1 1776030168 KJKQLYGQVFAUHV-UHFFFAOYSA-N 286.306 3.668 30 20 CHED O=C(O)c1ccc(NN=C2C[C@@H]3CC=CC[C@@H]3C2)cc1 1776014022 CNSIHZOTLVKHBH-BETUJISGSA-N 270.332 3.529 30 20 CHED CCCCCCCN1CCC([C@@H](O)C(F)(F)F)CC1 161198712 JTZNCRUNQWASCF-CYBMUJFWSA-N 281.362 3.592 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)c(F)c1 151137030 IZDIMTLGXRNUQL-KRWDZBQOSA-N 284.309 3.614 30 20 CHED Clc1ccc(C#CCN2CCC[C@H]2c2ccncc2)cc1 153883730 KHLWQWCJDIIXOX-SFHVURJKSA-N 296.801 3.924 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 156159035 NOIFPCSXIHTBTA-UHFFFAOYSA-N 290.697 3.591 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)NC2(C#N)CCCCC2)C1 154097794 FJONBBFVKSXFJT-KGLIPLIRSA-N 262.397 3.545 30 20 CHED Cc1cccc(NC2CCN(c3ccc(C#N)cc3)CC2)c1 156834458 VNGDZNCXJDKPEB-UHFFFAOYSA-N 291.398 3.948 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)Cc2ccccc21 209181710 UQAZKMUTZLQIJV-WQLSENKSSA-N 256.251 3.787 30 20 CHED N#Cc1cccc(NC(=O)c2c(Cl)cccc2Cl)n1 1130114244 SDRRZISYKACNAB-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCCc1csc(NC(=O)C2(C#N)CCCCC2)n1 127793098 CDXOOCUPRJPRCJ-UHFFFAOYSA-N 277.393 3.508 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1ccc(OCC#N)cc1 35257042 JTSWQSRSCBWQNQ-DOTOQJQBSA-N 272.392 3.647 30 20 CHED C[C@@H]1CCC[C@@H](Nc2nc3c(cc2C#N)CCC3)[C@@H]1C 42245919 INWVXTIRTVIRQY-LALPHHSUSA-N 269.392 3.679 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](c1ccccc1)[C@@H](C)CC 40352535 MPNQYYNJYWAATA-IMJJTQAJSA-N 272.392 3.625 30 20 CHED Cc1cc([C@@H](C)NC(=O)C2(C#N)CCCC2)c(C)s1 44316823 STVZZYRHURUJSF-LLVKDONJSA-N 276.405 3.626 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)Cc2ccsc2)n1 44367585 LMPHBMMQCDIKIL-LBPRGKRZSA-N 271.389 3.675 30 20 CHED CCCCCCC[C@H](C)NC1CCN(C2CC2)CC1 59474611 VHALIZBBYCVVEE-HNNXBMFYSA-N 266.473 3.952 30 20 CHED N#Cc1ccc(NC(=O)c2csc(Cl)c2)cc1F 307962679 NGHLGTQEQRTMET-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCOc1ccc(CNc2cc(C)cc(C#N)c2)cc1 308153511 LVMGXQGEKGZSNJ-UHFFFAOYSA-N 266.344 3.878 30 20 CHED CCCC1CCC(Nc2cc(C#N)nc(CC)n2)CC1 308182566 VWLHAWKWOBCBDH-UHFFFAOYSA-N 272.396 3.681 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 404103361 XJHVDKVGBJSOCC-INIZCTEOSA-N 260.356 3.708 30 20 CHED N#Cc1ccc(N2CCC[C@H]2C2CCCCC2)nc1 76853447 ANZZECYMNCRSHP-HNNXBMFYSA-N 255.365 3.502 30 20 CHED COC1(CCOc2c(C)cc(C#N)cc2C)CCC1 336816493 MFPJWQAZNNKTOB-UHFFFAOYSA-N 259.349 3.513 30 20 CHED C=CCCCCN[C@@H](C)c1cnn(Cc2ccccc2)c1 471588466 BRXUALJAGVKPCV-INIZCTEOSA-N 283.419 3.938 30 20 CHED C=C1CCN(C(=O)c2c(C)cccc2Br)CC1 362724762 QKERANBMIOJMAY-UHFFFAOYSA-N 294.192 3.550 30 20 CHED C#C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C 491737183 LDTCFHXGDZXNRM-TUAOUCFPSA-N 289.341 3.519 30 20 CHED N#CCC1(CSCCOCc2ccccc2)CC1 596374240 ULHJKRJRCQGKMW-UHFFFAOYSA-N 261.390 3.630 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)CC1CCCCC1 599843568 LVYZPKKZVMEFLQ-CYBMUJFWSA-N 264.413 3.791 30 20 CHED C=CC(C)(C)CNCc1csc(-c2ccccn2)n1 384903039 BCYWXLHXDJHSGA-UHFFFAOYSA-N 273.405 3.507 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cccc2ccsc12 386265620 XFJMLMJAFAHNGM-UHFFFAOYSA-N 286.400 3.913 30 20 CHED CC(C)Oc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 3486091 BTDMOEPMGAUCTF-UHFFFAOYSA-N 295.338 3.702 30 20 CHED CC(C)OCc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 7525783 ZKTULJAZWVSPQS-UHFFFAOYSA-N 294.354 3.736 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1F 7741011 YOIOSKURWBUYGQ-CMDGGOBGSA-N 271.247 3.630 30 20 CHED CCCc1nc(CO/N=C/c2cccs2)cs1 101540150 WXTWXYXDMUHDRK-NTUHNPAUSA-N 266.391 3.708 30 20 CHED C[C@@H](CC(=O)N(CCC#N)CC1CC1)C1CCCCC1 103437639 HNKKOGAMMXPZMW-AWEZNQCLSA-N 276.424 3.745 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1sccc1C#N 52034493 CTXBRQCLVDQAAR-LLVKDONJSA-N 264.394 3.708 30 20 CHED C=CCSc1nc2cc(Cl)ccc2n1CCOC 58946067 YCNHPRUASCYYLZ-UHFFFAOYSA-N 282.796 3.614 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1ccc(-c2ccccc2)cc1 116863722 VWIYWXCDKSCHKV-OAHLLOKOSA-N 279.383 3.977 30 20 CHED Cc1ccsc1CNc1ccc(OCC#N)cc1 20126428 ACQSQESBVRARBH-UHFFFAOYSA-N 258.346 3.571 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccccc1F 50355251 GDMIGDIWFOPMQH-LLVKDONJSA-N 269.275 3.615 30 20 CHED N#Cc1cc(NCc2ccccc2OC(F)F)ccc1F 51635579 BTUYXAYAEGARQH-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccccc1OC 67007518 WPXKBXWQRAEZNM-ZDUSSCGKSA-N 293.432 3.600 30 20 CHED CCCCCCCC(=O)N1CCO[C@H](c2ccco2)C1 176735297 QFLAABOGDXEZMO-HNNXBMFYSA-N 279.380 3.540 30 20 CHED C[C@H](CNc1cccc(F)c1C#N)Oc1ccc(F)cc1 301482765 XIZXSFZXRVRWOP-LLVKDONJSA-N 288.297 3.716 30 20 CHED Cc1cccc(C)c1CS(=O)(=O)CCCC(C)(C)C#N 178168680 GJQKDBAWVLPQPY-UHFFFAOYSA-N 293.432 3.548 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cn1 179996583 PBCWULBWRCOBGM-YRNVUSSQSA-N 297.745 3.649 30 20 CHED C=CCOc1ccc(CN[C@@](C)(CO)CCC)cc1Cl 177322261 VRHIOCGVBXZWKG-MRXNPFEDSA-N 297.826 3.546 30 20 CHED C[C@@H](Nc1ccc(C#N)nn1)c1ccc(Cl)c(Cl)c1 301829283 GUGZYLLPTNIKPU-MRVPVSSYSA-N 293.157 3.828 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cc(Cl)cc(Cl)c2)C1 179947696 CDVRSWAVXRGKGU-QPUJVOFHSA-N 284.142 3.842 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1CCOc1ccc(C#N)cc1 303709398 PMDADFYJERISSM-QGPMSJSTSA-N 284.403 3.590 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2cc(F)ccc2F)c1 302095808 JAMIYAJWDDUKNJ-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1ccsc1 61363499 KZKNWDRNWKCCTI-SNVBAGLBSA-N 260.337 3.610 30 20 CHED N#C[C@@H](Sc1ncccc1[N+](=O)[O-])C1CCCCC1 115187472 GJKZRWOCZZMYMJ-GFCCVEGCSA-N 277.349 3.554 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)[C@H](C)CC 303018216 OFUPONXNQAUVHO-ZIAGYGMSSA-N 292.398 3.958 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccc(Cl)nc1 172372351 IPKIDNDUNOLIET-UHFFFAOYSA-N 295.814 3.623 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)cc1 23986650 RODPOVYDWOILTB-KRWDZBQOSA-N 278.355 3.748 30 20 CHED CC(C)N(CCCNc1c(F)cc(C#N)cc1F)C(C)C 301433091 KTNGTZUUQIWTAO-UHFFFAOYSA-N 295.377 3.757 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)c1cccc2ccccc12 69358572 SWQIHNASXAKNME-AWEZNQCLSA-N 283.371 3.784 30 20 CHED Cc1ccnc([C@@H](Nc2ccc(C#N)c(Cl)c2)C2CC2)n1 302796843 AAHODYZFBASNAG-HNNXBMFYSA-N 298.777 3.873 30 20 CHED Cc1cccc(OC(=O)C2(c3cccc(C#N)c3)CC2)c1C 1342578304 BPXQSDNDIRGIHT-UHFFFAOYSA-N 291.350 3.812 30 20 CHED Cc1ncsc1CCOc1cc(Cl)ccc1C#N 62790163 VLLNSNBEWXFQPK-UHFFFAOYSA-N 278.764 3.598 30 20 CHED O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1cccc(O)c1 64360049 ZYLWVKOFMNJUBE-AATRIKPKSA-N 298.729 3.589 30 20 CHED Cc1cccc(O[C@@H](C)CNc2ccc(C#N)cc2)c1 301468428 RITSEUVNFBKONO-AWEZNQCLSA-N 266.344 3.746 30 20 CHED Cc1ccccc1CN[C@H](C)c1ccc(OCC#N)cc1 37719031 UPMOFGBLBZFUMY-OAHLLOKOSA-N 280.371 3.748 30 20 CHED Cc1cccn2c(/C=C3\Cc4cc(F)ccc4C3=O)cnc12 125376446 YRBKPQVFOAOHMD-UKTHLTGXSA-N 292.313 3.604 30 20 CHED CC(C)[C@@H]1CCCN(c2c(C#N)cccc2C#N)CC1 302906102 WKNQLEPKPBRDHK-CQSZACIVSA-N 267.376 3.692 30 20 CHED C[C@H]1CCCN(CCCCN[C@@H](C)c2ccc(C#N)cc2)C1 181511516 SOUAXIIHEQHHFR-IRXDYDNUSA-N 299.462 3.721 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cc2ccccc2o1 79558499 BTWQAPKYTCEHCU-UHFFFAOYSA-N 272.348 3.540 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCc2ccccc2[C@H]1CC 74644260 FZELZWGFKRNJDX-RHSMWYFYSA-N 287.403 3.504 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 182095008 YAXXCQZTHBHSRM-KBUPBQIOSA-N 298.386 3.742 30 20 CHED C=C(C)CCc1noc(-c2cn(C)c3ccccc23)n1 508644317 UXBPAKZOFOYREV-UHFFFAOYSA-N 267.332 3.737 30 20 CHED CC#CCCCC(=O)Nc1c(C)cccc1OC(F)F 185590142 REAHSBSUXLUYKR-UHFFFAOYSA-N 281.302 3.729 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N(C)[C@H](C)CC#N)oc12 78420039 JSBXAJSPEHOOCH-GFCCVEGCSA-N 284.359 3.732 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](C)[C@H]1C 416770304 XPLSSOPUUNNTCU-HZSPNIEDSA-N 299.418 3.996 30 20 CHED N#CC1(CCSc2ccc([N+](=O)[O-])cn2)CCCCC1 413005028 YDHVWBZWBLNREJ-UHFFFAOYSA-N 291.376 3.946 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)c1ccc([N+](=O)[O-])cc1 126263837 BRONSUOAWPCRJX-JTQLQIEISA-N 285.278 3.779 30 20 CHED CC#CCCCC(=O)N(CC)[C@H](CC)c1ccncc1 185873812 KBBYFSNKHOLJGF-MRXNPFEDSA-N 272.392 3.575 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 181231709 DPAVYBUVCZSYEK-DAXOMENPSA-N 283.375 3.601 30 20 CHED C#CCN(C(=O)Nc1ccccc1C)C1CCCCC1 491019766 CLMXFDPNMGUWBU-UHFFFAOYSA-N 270.376 3.795 30 20 CHED CC(C)(NCCC#N)c1ccc(Cl)c(Cl)c1 411357483 ROOUEZMTSOHFCK-UHFFFAOYSA-N 257.164 3.732 30 20 CHED N#C[C@@H]1CCC[C@H](NCC2(c3ccc(F)cc3)CC2)C1 185783394 PQJGSDOSLKLLJQ-CJNGLKHVSA-N 272.367 3.529 30 20 CHED N#C[C@H]1CCC[C@H](NCCCc2c[nH]c3ccccc23)C1 185817220 QSOPPBQQWYDICF-HOCLYGCPSA-N 281.403 3.772 30 20 CHED N#CCCN[C@H](c1cc(F)cc(Br)c1)C1CC1 411566207 YXJZETWPUVMICW-ZDUSSCGKSA-N 297.171 3.543 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(OC)c(C)c1 188248129 UVFMOAQMCHYTQY-KRWDZBQOSA-N 275.392 3.564 30 20 CHED C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(OCC#N)cc1 183401838 NPLVIYPFXRWATI-ZDUSSCGKSA-N 298.390 3.714 30 20 CHED C=CCCCC(=O)N(CCC)CCc1cccs1 184376643 NMRIXNNSMUWXJO-UHFFFAOYSA-N 265.422 3.886 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)Cc1ccccc1OC 410132551 XAPJCVPCVWDTQV-GOEBONIOSA-N 289.419 3.735 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)C(F)(F)[C@H](C)C1 599515314 RJKAUMHUVYACLM-BETUJISGSA-N 278.346 3.590 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1-c1cccs1 336504186 DWQVPNFTAIVYNH-SNVBAGLBSA-N 256.330 3.513 30 20 CHED CC(C)Sc1ccccc1NC(=O)N(C)[C@H](C)CC#N 135395214 OLOWNPYAXNFZHV-GFCCVEGCSA-N 291.420 3.953 30 20 CHED CC(C)(C#N)CCNc1ccccc1OC(F)(F)F 87590958 RQWLNRMWQUFVNR-UHFFFAOYSA-N 272.270 3.937 30 20 CHED N#CCCN(C(=O)C=C1CCC1)C12CC3CC(CC(C3)C1)C2 133767324 LJQKGXXVGUKMGY-UHFFFAOYSA-N 298.430 3.808 30 20 CHED CSc1cc(C)ccc1NC(=O)NCCCCC#N 417232745 MXJARDZCUNIEJR-UHFFFAOYSA-N 277.393 3.532 30 20 CHED C[C@@H](CCc1ccc(O)cc1)N[C@@H](C)c1ccc(C#N)cc1 192755398 ZAOVDYXCLYTFID-GJZGRUSLSA-N 294.398 3.936 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(OC)c1 45935081 SNOJBFCJSUYKFY-UHFFFAOYSA-N 281.355 3.524 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(F)c(Cl)c1 509013719 QGEHQEOKYJJRJD-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#CCCN(Cc1ccc(OC(F)(F)F)cc1)CC1CC1 81062246 CGHRJOOGUJVCGJ-UHFFFAOYSA-N 298.308 3.711 30 20 CHED C=CCCCCCN1CCC[C@@H](c2nnc3ccccn23)C1 193353515 KOBOXQNWOKCXPE-MRXNPFEDSA-N 298.434 3.655 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 425449960 KADLFQQWCMGUGJ-CWRNSKLLSA-N 291.439 3.727 30 20 CHED CC(C)CC[C@@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 42999310 GIQRECAYUPIIJF-CQSZACIVSA-N 287.407 3.524 30 20 CHED CC[C@@H](c1ccc(F)cc1F)N1CCC(F)(C#N)CC1 510871843 JBSSGVPSOHDQMO-AWEZNQCLSA-N 282.309 3.744 30 20 CHED C[C@@]1(C/N=C/c2c(O)ccc3ccccc23)CCCO1 132420159 ZBMULVRKLURAQS-SZLZGVTBSA-N 269.344 3.533 30 20 CHED C=CCC[C@H](NCCO[C@H]1CCCCO1)c1ccccc1 193090364 MCYRUJMIONBXPG-ROUUACIJSA-N 289.419 3.827 30 20 CHED CCCCCCCCC(=O)NC1CCSCC1 194798872 IVNCWAXRVVEPIM-UHFFFAOYSA-N 257.443 3.749 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCCc2cc(N)ccc21 423342763 DEOGDBQMFYAWAC-AHIWAGSCSA-N 258.409 3.837 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1ccnn1C)c1ccc(F)c(F)c1 193302558 OGACQYQUZCMARY-ZBEGNZNMSA-N 291.345 3.666 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(CC#N)c1 81180065 NLWKSBHBCMENHO-PBHICJAKSA-N 284.403 3.793 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1nc2ccccc2n1CC 424653226 SDPJXKUWLGALQK-CYBMUJFWSA-N 299.418 3.836 30 20 CHED N#CCSc1cccc(C(=O)NCCC2CCCC2)c1 429922599 JOTYTTGSHFLKTI-UHFFFAOYSA-N 288.416 3.612 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C)cc1OCC 193642120 JKZFJADMKVQUEY-UHFFFAOYSA-N 274.364 3.600 30 20 CHED CCC1(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCC1 336528469 JVXQSQHEMSWKIZ-UHFFFAOYSA-N 294.398 3.754 30 20 CHED CC(C)(NCc1cc(C#N)ccc1F)c1ccccc1F 429256085 PCKLFHURSJBFQD-UHFFFAOYSA-N 286.325 3.861 30 20 CHED C#CCSCCNC1CC(c2ccc(Cl)cc2)C1 230389898 KAZCSRLTXZPHTG-UHFFFAOYSA-N 279.836 3.542 30 20 CHED C=CCC[C@@H](NC(=O)NC1(C)CCC1)c1ccccc1 339101922 GWNRYJZACCHVHO-OAHLLOKOSA-N 272.392 3.936 30 20 CHED C[C@@]1(/N=C(/O)c2coc(C3CCCCC3)n2)CCCOC1 330176815 KGTRZBWFABIDIL-MRXNPFEDSA-N 292.379 3.596 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(Cl)cc2F)no1 334696717 PRMHYAVHZXBVER-PWSUYJOCSA-N 294.713 3.588 30 20 CHED CCc1ncc(CN(CCC#N)CC(CC)CC)s1 93100972 HIZJWWFNLSBOJU-UHFFFAOYSA-N 279.453 3.857 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2cccc(C(C)(F)F)c2)no1 335156610 OXNKELJVGJCMPX-RFAUZJTJSA-N 289.285 3.649 30 20 CHED CCC1CCC(CNc2snc(C)c2C#N)CC1 92912554 QFBNCOLWTUIOGE-UHFFFAOYSA-N 263.410 3.952 30 20 CHED N#CCCN(Cc1cccc(OC(F)(F)F)c1)CC1CC1 93091546 ADBAWQZDMQWIBN-UHFFFAOYSA-N 298.308 3.711 30 20 CHED C=C(C)COc1cccc(NCc2ccc(OC)nc2)c1 436299217 FCZQRNMNKVEEIB-UHFFFAOYSA-N 284.359 3.657 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](CC1CCCC1)c1ccccc1 337632108 WETWJFWWLQHGAP-XJKSGUPXSA-N 270.376 3.584 30 20 CHED COc1ccc(C[C@@H](C)Nc2cccc(C#N)c2)cc1OC 237228137 ILGZBZSJGKFYDM-CYBMUJFWSA-N 296.370 3.619 30 20 CHED CC(C)(O)C/N=C(/O)c1ccccc1NC1CCCCC1 330674758 QTWQQGAWZVAYDY-UHFFFAOYSA-N 290.407 3.507 30 20 CHED N#CCc1ccc(NC(=O)N[C@H]2CC=CCC2)c(Cl)c1 335583593 JXRFZUSEDHPOEU-LBPRGKRZSA-N 289.766 3.636 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H]1CCC[C@@H](CC)C1 435741346 OGKBKWZHEBCXGL-TWMKSMIVSA-N 265.441 3.774 30 20 CHED Cc1oc(C#N)cc1C(=O)NCc1ccc(C(C)(C)C)cc1 435704121 IGOSLRJWDMJROL-UHFFFAOYSA-N 296.370 3.687 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2ccccc2)CCCC1 604880014 IVINCCSZCWQQMH-CQSZACIVSA-N 257.377 3.579 30 20 CHED N#Cc1cc(F)ccc1CN[C@@H](c1ccccc1)C(F)F 433048936 ZRSHVNPBZNKUFY-HNNXBMFYSA-N 290.288 3.793 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 522647248 BLRCJYOIDMPMFS-DLTWYDFYSA-N 276.424 3.791 30 20 CHED C=C(C)CCc1noc(-c2nn(-c3ccccc3)cc2C)n1 347277557 ZIQZJIFUNMYGRJ-UHFFFAOYSA-N 294.358 3.739 30 20 CHED C=CCCOCCCCC(=O)N[C@@H](C)c1cc(C)oc1C 342752031 KXVZRZACYMEEMQ-AWEZNQCLSA-N 293.407 3.837 30 20 CHED N#C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C1CC1 601072761 SCJOZRPIYYDWCI-LLVKDONJSA-N 290.779 3.519 30 20 CHED Cc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)c(C)c1 602491479 IDHWPWCAISKAIU-HNNXBMFYSA-N 272.392 3.814 30 20 CHED Cn1ncc(NCc2ccc(C#N)cc2)c1-c1ccccc1 342229464 QJOLGWZVRQQKIK-UHFFFAOYSA-N 288.354 3.571 30 20 CHED N#Cc1ccnc(N2CC3(CC3)c3ccccc32)c1Cl 342349114 MWDAYXRKYMWQMX-UHFFFAOYSA-N 281.746 3.790 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccccc1OCC1CC1 602268318 ODYKRNAKUNFHDI-UHFFFAOYSA-N 286.375 3.744 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)cn1 255809066 JEWNHGXLOHLKKB-VURMDHGXSA-N 296.301 3.715 30 20 CHED CC(C)(C)[C@H]1OCCC[C@H]1CNc1ccc(C#N)cc1F 609823410 XRAHFKVYDCHWGI-BBRMVZONSA-N 290.382 3.951 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1c(CC)noc1C 347882174 PNEWJUWCDGSBKP-UHFFFAOYSA-N 298.386 3.764 30 20 CHED C[C@@H](CCC#N)CNCc1c(F)cccc1Cl 602524585 MTEMLBVHTBLGSX-JTQLQIEISA-N 254.736 3.509 30 20 CHED CC[C@H](NC(=O)CCCC#N)c1cc(C)ccc1C 600516814 IUUCLJPMDYPHHZ-HNNXBMFYSA-N 258.365 3.565 30 20 CHED C=CCCCS[C@H](C)C(=O)N(C)C1CCCCC1 522758319 RPOLDMPGSWNUBG-CYBMUJFWSA-N 269.454 3.865 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ccc3[nH]ccc3c2)c1 349474388 MQGZEYZYTRWEAK-UHFFFAOYSA-N 295.729 3.945 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N(CC#N)C2CC2)cc1 609968971 BAQQRMUDAHWIGJ-CQSZACIVSA-N 284.403 3.818 30 20 CHED Cn1nccc1/C=C1\Cc2c(ccc(Cl)c2Cl)C1=O 255006416 UIDKAYIKQRJYDM-SOFGYWHQSA-N 293.153 3.549 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1[N+](=O)[O-] 255471463 NXJZVEXFZXEMAZ-VURMDHGXSA-N 297.310 3.808 30 20 CHED CC[C@H](CC(=O)N[C@H](C#N)CC(C)C)c1ccccc1 609142407 HWGLGDJIETYDBE-ZBFHGGJFSA-N 272.392 3.625 30 20 CHED CCCCOCC/N=C\c1c(O)ccc2ccccc12 255125303 YLWHCBXTDWBSTL-AQTBWJFISA-N 271.360 3.781 30 20 CHED CN(Cc1cccc(-c2cccnc2)c1)CC(C)(C)C#N 354034801 CJZGGILEQCUHMZ-UHFFFAOYSA-N 279.387 3.730 30 20 CHED CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 267738520 OKGGJHAMGPJCQT-DOMZBBRYSA-N 285.391 3.798 30 20 CHED C=CCC[C@@H](NC(=O)c1c(C)ccn1C)c1ccccc1 353626309 WLTVTXSOZFGBPB-MRXNPFEDSA-N 282.387 3.771 30 20 CHED Cc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1 539229664 SKKXKJRPCSKQBJ-OAHLLOKOSA-N 267.347 3.836 30 20 CHED COc1ccc(C#N)cc1NC(=O)Nc1ccc(C)cc1 355305817 UZBRAXMKXWCUMP-UHFFFAOYSA-N 281.315 3.519 30 20 CHED CC#CCNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 536524975 FDXKLXJVOZXMLG-UHFFFAOYSA-N 287.359 3.616 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 609377741 DOIJEALPMPDZKR-GRYCIOLGSA-N 274.389 3.533 30 20 CHED Cc1nc(N2CC3(CCC3)[C@@H]2C2CC2)c(Cl)cc1C#N 359970326 YYFCZAYMBAKTAO-AWEZNQCLSA-N 287.794 3.684 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cc(C)cc(OC)c1 539390266 MMICTQRUBBLVEM-CQSZACIVSA-N 290.407 3.548 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1cc2cccc(F)c2o1 352986386 HAWQEXPHXCOCHP-NXEZZACHSA-N 276.311 3.507 30 20 CHED CC1(C)C(CNC(=O)c2cc(C#N)ccc2Cl)C1(C)C 355526482 PZRRLUWXDAJQAE-UHFFFAOYSA-N 290.794 3.624 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1ccccc1C(F)(F)F 352055158 MLGSQHQTVYVRCI-JTQLQIEISA-N 298.308 3.822 30 20 CHED Cc1cc2c(S[C@H](C)CCC#N)ncnc2s1 447330889 BMXMPCPINLSLLJ-MRVPVSSYSA-N 263.391 3.784 30 20 CHED C[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H]1C 356635427 PETZRBJGBWFLPH-HLLBOEOZSA-N 284.403 3.578 30 20 CHED C=CCC1(C(=O)Nc2ccc3nccnc3c2)CCCC1 449776425 OYVHQFUORBQALW-UHFFFAOYSA-N 281.359 3.705 30 20 CHED N#Cc1ccc(C2=CCN(Cc3ccsc3)CC2)cc1 355370087 VCADOPDXIIJWED-UHFFFAOYSA-N 280.396 3.909 30 20 CHED C=Cc1ccc(CCNC2CCC(C)(C#N)CC2)cc1 449334495 JROQNDXCLNBFNP-UHFFFAOYSA-N 268.404 3.934 30 20 CHED CC1(C)CC(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 354193936 GDICYEJYYQTQOR-HNNXBMFYSA-N 270.376 3.584 30 20 CHED C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccsc1 619788004 VOLDXWXMQAKEKN-SECBINFHSA-N 289.335 3.642 30 20 CHED N#Cc1cccc(/C=C\c2nc(CC3=CCCC3)no2)c1 355423199 DADFDGHFAITJKX-HJWRWDBZSA-N 277.327 3.764 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](OCCC)CC2)CCCC1 449851169 PYWNLPZSPLAXQF-MRXNPFEDSA-N 293.451 3.931 30 20 CHED Cc1oc(C(C)C)cc1C(=O)[C@@H](C#N)c1ccccn1 353518681 LMNCSOBQURDGFL-ZDUSSCGKSA-N 268.316 3.597 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)Cc1ccsc1 610905672 JUCCRZNQUJKHIZ-UHFFFAOYSA-N 285.372 3.592 30 20 CHED C=C(C)CN(CC)Cc1cc(Cl)c(O)c(OCC)c1 459309644 YVVTYOAFJCQHFN-UHFFFAOYSA-N 283.799 3.842 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](C(C)C)C2)c1 455953098 JSXIEDBUQJSPRF-HNNXBMFYSA-N 285.391 3.767 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCCc2occc21 268176192 RUOONXGUDOSIGW-AWEZNQCLSA-N 259.349 3.542 30 20 CHED C=CC(C)(C)CNC(=O)Nc1nc2ccsc2s1 454806209 BEWUAPMLTADSOU-UHFFFAOYSA-N 281.406 3.692 30 20 CHED Cc1noc([C@H](C)Sc2ccc(C#N)cc2Cl)n1 610704473 SEWRXQTXBRQGTJ-ZETCQYMHSA-N 279.752 3.756 30 20 CHED C=C1CCN(Cc2coc(-c3c(F)cccc3F)n2)CC1 269761613 HIGMMIHKXYYYDQ-UHFFFAOYSA-N 290.313 3.772 30 20 CHED CCCN(Cc1ccccc1)C(=O)NCC(C)(C)CC#N 459229741 IXOGIBYZPDAOLR-UHFFFAOYSA-N 287.407 3.548 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1CC(C)C 539388502 NFLNECHOXSYKJI-CABCVRRESA-N 266.429 3.951 30 20 CHED CC(C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)=C1CCCC1 267842633 ISEHTTAOPMHQPZ-HNNXBMFYSA-N 288.778 3.911 30 20 CHED C=C(CC)CNC(=O)C(C)(C)c1ccc(Cl)cc1F 456810501 GDEDYDREGCOHCH-UHFFFAOYSA-N 283.774 3.839 30 20 CHED N#CCCN(Cc1ccco1)C[C@H]1C[C@H]1c1ccccc1 361316881 WNHNQSAKXIFJIT-AEFFLSMTSA-N 280.371 3.799 30 20 CHED COc1ccccc1[C@H]1CCCCN1c1cccc(C#N)n1 611204169 XMADCUUTGOOTCC-MRXNPFEDSA-N 293.370 3.693 30 20 CHED C=C[C@@H](CC(=O)N[C@H](CC)C1CC1)c1ccccc1 618869313 ARMSHOXLTAVAQS-XJKSGUPXSA-N 257.377 3.651 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(-c3cnco3)cc2)s1 362941367 OVVQMOZSIWQNMZ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1cc(C)cc(C2(c3noc([C@@]4(C#N)C[C@@H]4C)n3)CC2)c1 453304095 FREKSZDMHYUYQB-SCLBCKFNSA-N 293.370 3.568 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 542535144 GIPGHBZXHMJJFI-XHDPSFHLSA-N 290.794 3.910 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccoc2CCC)C1 617780026 MWWOETGPJWYOBQ-ZDUSSCGKSA-N 261.365 3.660 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(CC2(C#N)CCC2)C1 450438522 KQCYFUMVYYIVHT-BBRMVZONSA-N 272.367 3.902 30 20 CHED C=C(CC)CSCCOc1ccc(OC)cc1 540193208 FBCKGTJZYXGGRL-UHFFFAOYSA-N 252.379 3.773 30 20 CHED CC1CC(C#N)(C(=O)NCC2CCC(C(C)C)CC2)C1 610914034 XXNRIABWOTXKOT-UHFFFAOYSA-N 276.424 3.505 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccccc1C(F)(F)F 276290719 HRDZCCZJXAXMIP-LLVKDONJSA-N 270.298 3.829 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc2c1OCO2 542026236 OYSJFOVLFAYAEE-UHFFFAOYSA-N 290.363 3.625 30 20 CHED N#CCN(CCc1c(Cl)cccc1Cl)C1CC1 450340084 TWJPYVNITUAJEP-UHFFFAOYSA-N 269.175 3.524 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1CCC(C)(C)C#N 271949055 AQNLLRYHOVVTFV-GOEBONIOSA-N 256.393 3.804 30 20 CHED C=CCC1(c2nc(Cc3ccc(C)nc3)no2)CCCC1 453084628 JTDQJAXUVHZOJK-UHFFFAOYSA-N 283.375 3.752 30 20 CHED CC(C)(C)CCCCNC(=O)N1CCC(CC#N)CC1 541915336 IGWHDDLTMQWOBY-UHFFFAOYSA-N 279.428 3.538 30 20 CHED C=CCOCCN[C@H](c1cccc(C)c1)C(C)(C)C 549535354 CUZNJJLFEOIQKC-MRXNPFEDSA-N 261.409 3.874 30 20 CHED C=C(C)CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 275037171 PPWWBJYJUFZEON-VIFPVBQESA-N 272.175 3.789 30 20 CHED CC(C)[C@@H]1/C(=C/c2csnn2)C(=O)c2ccccc21 277641820 PYNJQJIUYNOYNB-LVOZBFFPSA-N 270.357 3.558 30 20 CHED CC(C)CN(CC(C)C)C(=O)Nc1cccc(CC#N)c1 455921454 OVNOTOYSOGETJD-UHFFFAOYSA-N 287.407 3.899 30 20 CHED CC(C)(C#N)CCSCc1cccc2nsnc12 276553677 AZUZHCGVCQUCMP-UHFFFAOYSA-N 277.418 3.864 30 20 CHED C/C=C\c1ccc(NC(=O)NCC(C)(C)CC#N)cc1 459574741 SPMKZMGSOIJGCY-PLNGDYQASA-N 271.364 3.781 30 20 CHED Cc1cnc([C@@H](C)CNc2ccc(C#N)cc2)s1 273191484 CVXGGBPNGBKZHA-JTQLQIEISA-N 257.362 3.539 30 20 CHED C=CCC1(C(=O)Nc2ncc(COC)s2)CCCCC1 451682176 QPLXFZUIIIKUJX-UHFFFAOYSA-N 294.420 3.755 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(-c2ccc(F)cc2)o1 271128758 MZIGCMTYRHSJDN-GFCCVEGCSA-N 272.323 3.677 30 20 CHED C#CCCCC(=O)Nc1ccc(C)c(OC(C)C)c1 278309565 BEDIOPRTLKQXKP-UHFFFAOYSA-N 259.349 3.524 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@H]1c1sccc1C)C(C)(C)C 622944588 YILXCCRDJVPMSX-STQMWFEESA-N 277.433 3.973 30 20 CHED C=CCCOCCCCc1nc([C@H]2Cc3ccccc32)no1 544989696 SQULVYOMNUBNIA-INIZCTEOSA-N 298.386 3.673 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)CSc1ccc(C)cc1 466786083 JNFPBWNSTUAWGB-CQSZACIVSA-N 292.448 3.693 30 20 CHED COC(=O)c1cc(CSCCC(C)(C)C#N)oc1C 276603595 KIAFBLWBGPXJEQ-UHFFFAOYSA-N 281.377 3.548 30 20 CHED C=C(C)CCNC(=O)N[C@H](CCc1ccccc1)C(F)F 624152783 JYAJGIPEIKGOSD-CQSZACIVSA-N 296.361 3.518 30 20 CHED C=CC[C@H](CC)NCc1nc2ccc(F)cc2s1 466387573 UWIKLZQJNUHMNA-NSHDSACASA-N 264.369 3.880 30 20 CHED C=C[C@@](C)(CCOC)c1nc(Cc2ccc(C)s2)no1 289226483 WAWIGZVFHMGTGC-HNNXBMFYSA-N 292.404 3.511 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1[C@@H](C)CCC 460934609 SXTSUQVDHLHNLO-DZGCQCFKSA-N 276.428 3.568 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](CC)c1ccc(OC)cc1 466525598 BNCIRCOQCHMMKR-ZBFHGGJFSA-N 275.392 3.660 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2cc(C#N)oc2C)c(C)s1 280649009 VUGWDWIYALXCOX-SECBINFHSA-N 288.372 3.629 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1c[nH]c2cccc(C)c12 620861193 FZNKQWYCFMPTDZ-UHFFFAOYSA-N 284.403 3.880 30 20 CHED C=CCCN(C)C(=O)C1(Cc2ccc(Cl)cc2)CC1 466636601 UBTHBEXHHHXPOX-UHFFFAOYSA-N 277.795 3.697 30 20 CHED COc1ccc2c(c1)C1(CC1)CN(CCCC(C)(C)C#N)C2 289442186 DUGDKBGWXVOGSQ-UHFFFAOYSA-N 298.430 3.872 30 20 CHED N#Cc1c(F)cccc1N1CCC(CC(F)(F)F)CC1 557689676 YWNBAISBIDVMHB-UHFFFAOYSA-N 286.272 3.866 30 20 CHED CC[C@@]1(C)CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462198311 YPOIRUKVKHQQDR-KDOFPFPSSA-N 284.403 3.700 30 20 CHED CC(C)n1nccc1/C=C1\Cc2cc(Cl)ccc2C1=O 280099479 UMMQFMBGRNARBB-FMIVXFBMSA-N 286.762 3.940 30 20 CHED Cc1csc(NC(=O)c2ccc3c(c2)CCC3)c1C#N 288767060 JGXSQUUKANRGFN-UHFFFAOYSA-N 282.368 3.669 30 20 CHED Cc1nsc(N2CC[C@H](Cc3ccccc3)[C@H]2C)c1C#N 557630169 GGKLWERRGIQAMJ-UKRRQHHQSA-N 297.427 3.781 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1CCCSC1)c1ccccc1 288351907 LXYQYALMGRCDOJ-GOEBONIOSA-N 289.444 3.606 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]2c2ccccc2)C1 463307646 YDZAXKYIZLHUPT-SPUZQDLCSA-N 268.404 3.995 30 20 CHED CCOc1ccc([C@H](C)NCCc2cccc(C#N)c2)cc1 467460257 UQEFBCVTRHVUMK-HNNXBMFYSA-N 294.398 3.850 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1Cc1ccccc1Cl 464759049 UYLPXWBEJNIWMX-OCCSQVGLSA-N 292.810 3.631 30 20 CHED CCc1ccc(C2=CCN(C(=O)[C@](C)(C#N)CC)CC2)cc1 285504128 BBKQHYSAWWMIIU-IBGZPJMESA-N 296.414 3.805 30 20 CHED C=CCCCC(=O)Nc1ccc2c(c1)CC(C)(C)O2 469433260 CEGUMPWYCCLCSE-UHFFFAOYSA-N 259.349 3.695 30 20 CHED C=C(C)COc1cccc(N[C@H]2CCN(C)[C@@H](C)C2)c1 638248169 XQXWFVOGGSQCKB-HOCLYGCPSA-N 274.408 3.536 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(OCCC)c(Cl)c1 465151576 AMRSVTOCFRSWLW-SNVBAGLBSA-N 282.771 3.825 30 20 CHED C=CC[C@@H](C)N[C@H](COC)c1cccc(Cl)c1F 558260079 XGDXXLFELVELFM-ZWNOBZJWSA-N 271.763 3.721 30 20 CHED CCCC[C@H](C)N(C)C(=O)NCC(C)(C)CCC#N 461518507 FQBYDROQINJFIP-ZDUSSCGKSA-N 267.417 3.536 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2ccc(Cl)cc2)no1 284927735 CAVFNLWVLBOULT-CQSZACIVSA-N 275.739 3.505 30 20 CHED C=CCCCCCN(C)Cc1cccc2c[nH]nc12 552299544 HERZAMFWENDUJU-UHFFFAOYSA-N 257.381 3.741 30 20 CHED Cc1ccc([C@@H]2CCN([C@@H]3CC[C@@H](C#N)C3)C2)c(C)c1 294221631 SKQINADZHHAXSG-BRWVUGGUSA-N 268.404 3.785 30 20 CHED CCCC[C@@H](C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 800409932 RYQRRAUXHCEWJI-OLZOCXBDSA-N 281.359 3.632 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCCCC(C)(C)C 553551965 WNILCVOIKPLYDO-GDBMZVCRSA-N 281.440 3.690 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCF 296481930 AYQWEEVKSZCILP-NSHDSACASA-N 295.383 3.514 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1Cc1ccccc1 806124487 ZJUFEYKCQBKKTR-KRWDZBQOSA-N 292.382 3.811 30 20 CHED C=CCOCCCNC1(c2ccccc2)CCCC1 470766504 RAQZUXXQNFFYFD-UHFFFAOYSA-N 259.393 3.638 30 20 CHED N#Cc1ccc(Cn2ccc3c([N+](=O)[O-])cccc32)c(F)c1 387817004 UVMWHLOAWREXOU-UHFFFAOYSA-N 295.273 3.609 30 20 CHED C[C@@H](C#N)OCCSCc1ncc(-c2cccs2)o1 802752984 VRJJTZGSRQCRPQ-JTQLQIEISA-N 294.401 3.565 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](c2ccccc2)C1 472847064 DETOTSRSBOFTED-INIZCTEOSA-N 272.392 3.542 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1 472778481 YNLBFIRHNMWICT-SNVBAGLBSA-N 291.782 3.864 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)[C@]1(C#N)CC12CCCC2 294287315 UWPRFZVADJSVHN-HNAYVOBHSA-N 296.414 3.598 30 20 CHED C[C@@H](OC(=O)CCCC#N)c1cccc(Br)c1 291802321 RIFYZLTZUJCHMM-SNVBAGLBSA-N 296.164 3.747 30 20 CHED C=C(C)CNC(=S)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 806605302 NGNNGWFXKAGJPB-QWHCGFSZSA-N 268.470 3.584 30 20 CHED C=C(CC)CNCc1csc(-c2ccc(OC)cc2)n1 648840067 MEVVGRFRILJBAG-UHFFFAOYSA-N 288.416 3.875 30 20 CHED C=CCCCCCCNC(=O)N1CCC(C=C)CC1 806005123 NZMAHXKWVDKEET-UHFFFAOYSA-N 264.413 3.731 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(C2CC2)c1 296082161 QPCDIJMSYIDLAB-CYBMUJFWSA-N 279.387 3.625 30 20 CHED C=CCN(CCC#N)Cc1ccc(N2CCCCC2)cc1 292679888 AOEPCSFBDVTPJO-UHFFFAOYSA-N 283.419 3.579 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCc2cc(C)ccc2O1 476538435 DWAAITLVNYKUAO-YOEHRIQHSA-N 287.403 3.550 30 20 CHED Cc1cccc(C)c1OCCCSCCO[C@H](C)C#N 802752669 SHNARMSONKLJNA-OAHLLOKOSA-N 293.432 3.734 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 476709686 QRRHSPVVXGUZLV-SDADXPQNSA-N 297.402 3.813 30 20 CHED CCC(CC)NN=Cc1ccc(C)cc1-c1ccnn1C 802711639 ZWULQDKPSHUMEP-UHFFFAOYSA-N 284.407 3.508 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2cccc(C#N)c2)CC12CCC2 291823408 SERLVWBSHPXHEA-HNNXBMFYSA-N 283.375 3.601 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)c1cccs1 294439736 ZXFLERXWZGZMQI-LLVKDONJSA-N 251.395 3.570 30 20 CHED C#Cc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1 809636863 HKZRPFGHPXTYPA-DOMZBBRYSA-N 281.321 3.831 30 20 CHED CC(C)c1cccc2c1CCN([C@H]1CC[C@H](C#N)C1)C2 294672318 RWPUDVAQOPULRE-HOCLYGCPSA-N 268.404 3.860 30 20 CHED N#Cc1ccc([C@H](O)CNCCCCC2CCCC2)cc1 819120919 DDOQVBKHDGYLEK-GOSISDBHSA-N 286.419 3.542 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cc(N)ccc1F 814753785 ZRLOCHOVTOBTRY-UHFFFAOYSA-N 271.339 3.861 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 483427214 QULKOLQMNLNEST-SJLPKXTDSA-N 298.430 3.891 30 20 CHED C#Cc1cccc(N(C(=O)c2ccn(C)c2CC)C(C)C)c1 812972565 JEKDRWXYSVAOMF-UHFFFAOYSA-N 294.398 3.624 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC[C@H](C#N)CCC#N)CC2 563013678 GNDPAJIHKJOWCJ-KBXCAEBGSA-N 281.403 3.830 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CCOC3(CCCCC3)C2)n1 486894023 DIVCGOMYOBYSBR-HNNXBMFYSA-N 299.418 3.864 30 20 CHED C=CCCCCCCCNC(=O)NC1CCC(C)(O)CC1 811891544 UPYNSUQGAQENGL-UHFFFAOYSA-N 296.455 3.506 30 20 CHED C#CCCCCC(=O)Nc1nc2c(s1)CCCC2(C)C 812318865 JNGIZAUMCBBDDU-UHFFFAOYSA-N 290.432 3.889 30 20 CHED N#CCCCC(=O)OCc1cc2c(Cl)cccc2[nH]1 813071806 FNTUKGPLPDKUGF-UHFFFAOYSA-N 276.723 3.558 30 20 CHED Cc1cc(C=NOC/C=C/Cl)cc2cccnc12 811668781 SYOOJFXSEGONIG-LNQFFCECSA-N 260.724 3.646 30 20 CHED C#C[C@H](NC(=O)/C=C1/CC[C@H](C)C1)c1ccc(Cl)cc1 811944824 KRGRHYPTBLIYNA-MYCNDKQDSA-N 287.790 3.877 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NN=c1cc[nH]c2ccccc12 814841944 ZPBXQCVVQZIOHP-CQSZACIVSA-N 292.386 3.774 30 20 CHED N#Cc1ccc(SCCCC2CCOCC2)c(F)c1 576190034 CTOCEFZXTBZOGP-UHFFFAOYSA-N 279.380 3.996 30 20 CHED C=CC[C@@H](C(=O)O[C@@H](C)c1cc(C)on1)c1ccccc1 810790110 NQIYMUIDMKWXRT-DZGCQCFKSA-N 285.343 3.947 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1 577386125 LLJHBKIYMZOHKE-RDJZCZTQSA-N 296.414 3.654 30 20 CHED CC#CCN(C)C(=O)c1csc(-c2ccc(C)cc2C)n1 570102156 XTXSTTYGAAYYIU-UHFFFAOYSA-N 298.411 3.522 30 20 CHED COCCC(C)=NNC(=S)Nc1ccc(C(C)C)cc1 814720416 ORTKOVHJALOQTR-UHFFFAOYSA-N 293.436 3.509 30 20 CHED N#Cc1ccc(COC(=O)C2(F)CCCCC2)c(Cl)c1 810707540 RFGKHHMORCTASE-UHFFFAOYSA-N 295.741 3.927 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)[C@@H](c1ccccc1)N(C)C 570671925 BHHPSQMMWKRJEP-UGSOOPFHSA-N 297.377 3.801 30 20 CHED CCC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)C1CCCC1 819366502 QXMVGPJXQRNKGE-ZWKOTPCHSA-N 286.419 3.540 30 20 CHED C=CCN(CC1CCCCC1)C(=O)COC1CCCC1 482717903 BBDBXQGBOJBFQQ-UHFFFAOYSA-N 279.424 3.541 30 20 CHED Fc1ccccc1NN=Cc1cc(F)c(F)c(F)c1 727969948 NYYCFLWFEBFNGO-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C#Cc1ccc(C(=O)OCc2ccc(C(C)(C)C)cc2)cn1 728803790 MUOYVILSSXXQBR-UHFFFAOYSA-N 293.366 3.717 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)CCC(C)(C)C 575906836 PDBAHPXNPWBNHG-ZDUSSCGKSA-N 252.402 3.599 30 20 CHED CC[C@@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 572946169 LNVBHAGURNMKPL-DLTLXFJOSA-N 272.392 3.555 30 20 CHED Cc1cccc(CN(CC(C)C)C(=O)CC(C)(C)C#N)c1 498627802 SPIVSMOBJUMWEU-UHFFFAOYSA-N 286.419 3.920 30 20 CHED N#CCC[C@@H](C#N)CN[C@H](CC1CCC1)c1ccccc1 573834931 IDUSCKLBOJICBN-FUHWJXTLSA-N 281.403 3.951 30 20 CHED C#CCCOC(=O)CCCSc1ccc(Cl)cc1 727041359 MRYLDGJTSYAJTH-UHFFFAOYSA-N 282.792 3.779 30 20 CHED CN(Cc1ccc(C#N)cn1)[C@@H]1CCC[C@H]1C(C)(C)C 573576793 QAGFYGBJLIXGAD-HZPDHXFCSA-N 271.408 3.600 30 20 CHED C[C@H](OC(=O)CCC(C)(F)F)c1cccc(C#N)c1 727636738 PGNJGNXCPYJKMK-JTQLQIEISA-N 267.275 3.598 30 20 CHED C[C@H]1CN(c2ncc(C#N)cc2Cl)Cc2ccccc21 726965545 IZFHAGIFRZZTET-NSHDSACASA-N 283.762 3.730 30 20 CHED COc1cc(C#N)cc(OC[C@@]2(C)CC2(Cl)Cl)c1 829473558 BKHAADSMZKQSNK-GFCCVEGCSA-N 286.158 3.530 30 20 CHED C=CCCNC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 661572672 WFBRYGGYFIFQMU-MRXNPFEDSA-N 288.391 3.508 30 20 CHED C#CC[C@@H](NC[C@@H](Cc1ccccc1)OC)c1ccccc1 828687496 LBYWWCBVSXVUDP-WOJBJXKFSA-N 293.410 3.598 30 20 CHED C[C@H]1CN(c2ccnc(C#N)c2)CC[C@@H]1c1ccccc1 587985904 AZVOGWWGSBJDFO-KSSFIOAISA-N 277.371 3.583 30 20 CHED CCCc1cnc(NC(=O)/C=C\c2ccccc2C#N)s1 588387589 PRVHOFSMOALJDI-HJWRWDBZSA-N 297.383 3.619 30 20 CHED C=C(C)CN1CCC(c2ccnc3ccccc23)CC1 583761379 PDUJCJBDBGVJDB-UHFFFAOYSA-N 266.388 3.990 30 20 CHED Cc1cc(C2OCCO2)c(C)cc1-c1ccc(C#N)cc1 904766975 PIMZTOLIMJIXOW-UHFFFAOYSA-N 279.339 3.888 30 20 CHED C#C[C@@H](CC)NC(=O)c1oc2ccc(Cl)cc2c1C 700592785 NBWADUYDMBXEBF-NSHDSACASA-N 275.735 3.536 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@](C)(F)C3)c2c1 499671733 QBSDAKTZIITEJI-KRWDZBQOSA-N 283.350 3.662 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C1=CCCCC1 580532663 IFCPNUVDWYAVJA-UHFFFAOYSA-N 274.751 3.845 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1c[nH]nc1C 666238555 MPMBCFKRKCERRC-CJNGLKHVSA-N 269.392 3.556 30 20 CHED C=CCCC[C@H](NCc1ccc(C)cc1Cl)C(=O)O 900069299 XPEHVALEOUJUSP-AWEZNQCLSA-N 281.783 3.548 30 20 CHED O=C1/C(=C\c2cccc(F)c2)COc2ccc(F)cc21 731565256 JBWWWWGYLGLHCV-WDZFZDKYSA-N 272.250 3.624 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C/c1ccsc1 492521848 RNLJYGYPZPYWTM-AATRIKPKSA-N 287.384 3.612 30 20 CHED C#CCCCC(=O)N1CCCc2c(C)ccc(Cl)c21 839435873 QRDKDRMMBKZYEQ-UHFFFAOYSA-N 275.779 3.731 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CC12CCCCC2 490270704 GTSOEDJKIVGOHP-MRXNPFEDSA-N 287.403 3.807 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1cccc(OCC)c1 497118273 YALBHILGSBBWSM-ZFWWWQNUSA-N 290.407 3.800 30 20 CHED C=CCCNC(=O)N1CCC[C@@H]1c1cccc(C)c1C 661570598 HVYWZGWSFYCSQC-MRXNPFEDSA-N 272.392 3.726 30 20 CHED CC1(C)Nc2ccccc2[C@H]1NCc1cccc(C#N)c1 903947701 FOEAZXHTBARMER-QGZVFWFLSA-N 277.371 3.593 30 20 CHED C=CCCCC[C@H](C)N[C@H](C(=O)O)c1ccc(OC)cc1 901649067 RRGAJVLTHPEFCR-BBRMVZONSA-N 291.391 3.545 30 20 CHED C=CC(C)(C)COC(=O)[C@H](C)c1cccc(OC)c1 835725806 GYIVCIQTCJJSHS-GFCCVEGCSA-N 262.349 3.554 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)n1C 735066229 RBQQPCPKYLWPHW-LBPRGKRZSA-N 286.350 3.526 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2CCCCS2)CCC1 909157020 PYTVQPSWZBPKGT-ZDUSSCGKSA-N 281.421 3.679 30 20 CHED C=C1CCC(C(=O)N=[S@@](C)(=O)c2cccc(F)c2)CC1 906355054 QMMCQJHSLZXDRR-FQEVSTJZSA-N 295.379 3.555 30 20 CHED C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)C 734650554 QYAWMLSVPPBJME-JTQLQIEISA-N 277.343 3.501 30 20 CHED CC(C)[C@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839436507 ZOTZVKJVXQRWBZ-LBPRGKRZSA-N 266.344 3.942 30 20 CHED CCc1c(C(=O)O[C@H](C#N)C(C)C)oc2ccccc12 835124992 UROQXRJBQXUAHO-CQSZACIVSA-N 271.316 3.700 30 20 CHED CC(C)(CCC#N)CN[C@H]1CS[C@H](C(C)(C)C)C1 580918689 DKGKJWQILVIORM-OLZOCXBDSA-N 268.470 3.826 30 20 CHED C=C(Cl)COC(=O)COc1ccccc1[C@H](C)CC 839270782 JUBRWQJEAJTXRH-LLVKDONJSA-N 282.767 3.875 30 20 CHED C[C@@H](c1ccc(C(=O)OC(C)(C)C#N)cc1)C(F)(F)F 835222050 AJKDIBPAYDXEAJ-VIFPVBQESA-N 285.265 3.811 30 20 CHED CC1(C#N)CCC(=NNc2ccc(F)c([N+](=O)[O-])c2)CC1 834969701 PKXSJUTWJWLGJA-UHFFFAOYSA-N 290.298 3.606 30 20 CHED CCN(Cc1csc(C2CCCC2)n1)[C@@H](C)C#N 595814896 ZMOYLZUXOCLERX-NSHDSACASA-N 263.410 3.535 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 837466419 WUKFVEKKDIYXDJ-HNNXBMFYSA-N 297.398 3.599 30 20 CHED CCCCCCCCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 745345910 NGPLOKCQTPJUSU-JKSUJKDBSA-N 297.487 3.519 30 20 CHED CCCCCC(CCCCC)=NNc1nccn(C)c1=O 748081264 VQCJGHNDRQVNHI-UHFFFAOYSA-N 292.427 3.709 30 20 CHED CCC(C#N)(CC)c1nc([C@H]2CSc3ccccc32)no1 599163018 CVVPEVHZTMLECC-LBPRGKRZSA-N 299.399 3.889 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)NCC(C)(C)CCC#N 599940814 CFRXMFSTZUROPG-HNNXBMFYSA-N 286.419 3.620 30 20 CHED C=CCC[C@@H](NC[C@H]1COc2ccccc2C1)C1CC1 747866435 KFOASGKHLKFUKB-WMLDXEAASA-N 271.404 3.572 30 20 CHED CC[C@@H](C)n1ncc(Nc2nc(C#N)c(Cl)s2)c1C 596205102 GCNGYFITIWZPGN-SSDOTTSWSA-N 295.799 3.888 30 20 CHED CCCC(C)(C)C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 845512396 WAAJBRMIGCEDBH-CYBMUJFWSA-N 295.329 3.769 30 20 CHED CCC1CCC(N(C)C(=O)/C=C/c2ccccc2C#N)CC1 914492674 ALCOPLMOFHNAAJ-JLHYYAGUSA-N 296.414 3.999 30 20 CHED C#CCCCNCc1ccc(N(C)c2ccccc2)cc1 742382479 ACAMUKYQTMBMHO-UHFFFAOYSA-N 278.399 3.958 30 20 CHED COc1ccc(C)cc1C(C)=NNc1ccccc1[N+](=O)[O-] 744544400 YPSSFYNADHFWPS-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C=CCOc1cccc(NC(=O)C=C2CCCC2)c1 919872867 FRRLCZVAGAZVOR-UHFFFAOYSA-N 257.333 3.690 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cc(F)c(F)c(F)c1 743450105 LONBIPPFNNTJCQ-UHFFFAOYSA-N 299.683 3.988 30 20 CHED CC(C)Cc1ccc(CCC(=O)N(C2CC2)[C@@H](C)C#N)cc1 598133165 XRSJLOYJFYBIFB-HNNXBMFYSA-N 298.430 3.721 30 20 CHED C=C[C@@H](C)ON=C1CCC[C@@H](c2ncccc2C)C1 844625638 NWHDNMRKECDUSE-ZIAGYGMSSA-N 258.365 3.995 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 597041062 FOTRNTCYTYEJKC-ROUUACIJSA-N 298.430 3.796 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 593158558 XQOAPFUMHCNHCQ-ATLSCFEFSA-N 294.398 3.532 30 20 CHED C=CCC1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCC1 598295172 AMOBYTQOODOWNM-DLBZAZTESA-N 294.398 3.667 30 20 CHED CC(C)OCc1ccccc1C/N=C/c1ccccc1O 914556982 KFOBPMPPMHMBOH-XDHOZWIPSA-N 283.371 3.936 30 20 CHED CC(C)C[C@@H](C(=O)N(C)[C@@H](C)C#N)c1ccc(Cl)cc1 598844803 QKPWDNLPEOTKSK-SWLSCSKDSA-N 292.810 3.840 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(CC)[C@@H](C)C#N)cc1 598358412 FITUQHVXJIOLHY-KGLIPLIRSA-N 272.392 3.503 30 20 CHED CC[C@@H](C#N)C(=O)NCC1CCC(C(C)(C)C)CC1 593534423 MIERBXPBJPGTTE-MOKVOYLWSA-N 264.413 3.505 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C\c1cc(C)nn1C)CC2 843271959 GOKFCXUUNMBJQF-LCYFTJDESA-N 298.411 3.663 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[C@@H](C)CC 596727426 JDEBCATVGVYUOC-HNNXBMFYSA-N 299.418 3.692 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccnn1CC1CC1 849244788 KLKLKOXTYKZQPQ-FNORWQNLSA-N 284.334 3.637 30 20 CHED C#CCCCNC(=O)[C@@H](CCC)CC1CCCCC1 742789096 VGQCDYCVAHLCBY-INIZCTEOSA-N 263.425 3.903 30 20 CHED C[C@@H](CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)C1CC1 842941241 HPBIRRRTIXEMMS-JOYOIKCWSA-N 274.389 3.633 30 20 CHED N#C[C@H](C(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1nc(C2CC2)cs1 842940859 KJRRHWSEKGGNDG-CZXHOFHRSA-N 286.400 3.633 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H](c1ccccc1)N1CCCC1 924534453 WVTKETWBCSQZQS-AEFFLSMTSA-N 299.462 3.741 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H](CO)[C@@H]1C 840563536 MVWIRELHMZAULJ-JKSUJKDBSA-N 283.456 3.747 30 20 CHED C#CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1 741510119 ZQFVTWDDNUKYOG-UHFFFAOYSA-N 297.379 3.673 30 20 CHED CCOc1ccc(C[C@H](C)C(=O)OCCCCC#N)cc1 840654167 XBEXKJGDMIFZTO-AWEZNQCLSA-N 289.375 3.501 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N(C)Cc1ccc(C#N)cc1 929948366 PDEGMAXYXXTKSC-OAHLLOKOSA-N 292.382 3.629 30 20 CHED C#C[C@@](C)(CC)NCc1coc(-c2cccc(Cl)c2)n1 852099143 FQCAVZBALWMGQF-INIZCTEOSA-N 288.778 3.887 30 20 CHED COc1ccc2oc(C(=O)OCCCCC#N)c(C)c2c1 752626985 IFEZDSMLTQTECX-UHFFFAOYSA-N 287.315 3.601 30 20 CHED C=CCN(Cc1n[nH]c2ccccc12)c1ccccc1 682783792 AFMRXUNYWBDGSM-UHFFFAOYSA-N 263.344 3.756 30 20 CHED COc1cccc2c1C/C(=C\c1cccc(C)c1)C2=O 759665928 SBOQXCIYFMWPEA-GXDHUFHOSA-N 264.324 3.826 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)OCC2(CC#N)CC2)cc1C 850271685 DILLRVOKKJUMFN-JKSUJKDBSA-N 283.371 3.644 30 20 CHED C=CCCSCCN[C@H]1CCc2ccc(Cl)nc21 857914951 RJBAJNKWHIAKOM-LBPRGKRZSA-N 282.840 3.621 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(C#N)cc1 920385689 GFCVHFSEOFQFQZ-CYBMUJFWSA-N 263.344 3.633 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H]1CCc2ccccc21 683788068 FXGYKWQJOPVXRH-HZPDHXFCSA-N 269.388 3.674 30 20 CHED C#C[C@H](CC)NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 754389369 CDATUCAGYUPLDL-CYBMUJFWSA-N 297.320 3.511 30 20 CHED CO[C@H](C=NNc1ccc(Cl)cc1Cl)C1CC1 853275725 WKKQACNSDSOKLK-GFCCVEGCSA-N 273.163 3.816 30 20 CHED CO[C@H](C=NN=C1c2ccccc2-c2ccccc21)C1CC1 853284163 RTGQYFSJNNTGQR-GOSISDBHSA-N 290.366 3.915 30 20 CHED C=CCN(Cc1cc2cccc(OC)c2o1)C1CC1 757923559 QLEQBUCFJILQDB-UHFFFAOYSA-N 257.333 3.592 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)C1(Br)CC1 925186127 TXGCPNCWTOWEGU-MNOVXSKESA-N 293.208 3.525 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)SCCCC)c1ccccc1 757576597 DTODONWOSIUQOF-HOCLYGCPSA-N 289.444 3.789 30 20 CHED CCCOc1ccccc1N=Cc1cccc(OC)c1O 920944962 XLMVNODKZWUNIC-UHFFFAOYSA-N 285.343 3.940 30 20 CHED CCC(Cc1ccc(Cl)cc1)=NNc1ccc(C)nn1 853304231 FJBLDYZTJRURDK-UHFFFAOYSA-N 288.782 3.859 30 20 CHED CCCc1nc(C)c(CON=Cc2cccs2)o1 853640815 QSLRZAASNAYBGI-UHFFFAOYSA-N 264.350 3.548 30 20 CHED C=CCCCCCCNC(=O)c1coc(-c2cccnc2)n1 854451518 CDPZQOSXEFGGOG-UHFFFAOYSA-N 299.374 3.603 30 20 CHED Cc1ccnc(NN=Cc2ccc(Br)s2)c1 755903336 PPCSDMACOOLILV-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CCCCCCCOC(=O)Cn1nc(C)c(Cl)c1C 750399493 YKYBIJLQZKZKRE-UHFFFAOYSA-N 286.803 3.667 30 20 CHED C=CCC1(NC(=O)C[C@@H](O)CC[C@@H](C)CC)CCCC1 855928102 GOLXVXOSZOWUDP-GJZGRUSLSA-N 281.440 3.569 30 20 CHED CCOc1ccc2ccccc2c1C(=O)N(CC)CCC#N 930464070 HALMQHLFFZKVPQ-UHFFFAOYSA-N 296.370 3.614 30 20 CHED C=C1CN(C(=O)Nc2nc(C3CCCCC3)cs2)C1 932095188 VHRKHERCPGGOAS-UHFFFAOYSA-N 277.393 3.595 30 20 CHED CCO[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1Cl 766445898 ASWILXPZFSGHPV-ZDUSSCGKSA-N 297.742 3.605 30 20 CHED C#CCCc1noc(/C(C)=C/c2ccccc2Cl)n1 762013790 IIDKYYSXAFOPKZ-ZHACJKMWSA-N 272.735 3.849 30 20 CHED CC(C)(C)[C@H]1CN(CCCCC2(C#N)CCC2)CCO1 930268040 LYHVMTKNMLQHDW-OAHLLOKOSA-N 278.440 3.597 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccccc1N(C)C 769566787 KEUWYBBKHRHRKF-UHFFFAOYSA-N 289.329 3.867 30 20 CHED C[C@H]1Cc2ccccc2CN1C(=O)Nc1sccc1C#N 931844035 ZRECTDJYADPOTF-NSHDSACASA-N 297.383 3.598 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccc(O)cc1 864027084 RMFXNKIAESPXHJ-UHFFFAOYSA-N 274.751 3.559 30 20 CHED C=C[C@H](CC)CC(=O)N[C@](C)(C#N)C1CCCCC1 932887144 QQIOYYLFXHUHLY-CZUORRHYSA-N 262.397 3.567 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](F)c1ccccc1 769352709 GPDFEOZRVOHSIC-OAHLLOKOSA-N 289.375 3.974 30 20 CHED CC[C@H](CC(F)(F)F)Nc1snc(Cl)c1C#N 760599546 CKAPTZOLJJJWGF-RXMQYKEDSA-N 283.706 3.811 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccccc1C(=O)O 766002919 RGUZIACKUYVSQA-SNVBAGLBSA-N 260.337 3.609 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cscn1 767892628 FMYSNYUZXOQREU-UHFFFAOYSA-N 274.374 3.589 30 20 CHED C=C1CCN(C(=O)Nc2cc(C)c(F)cc2Cl)CC1 864253402 TXDFXUIRUBIGFM-UHFFFAOYSA-N 282.746 3.971 30 20 CHED CCCCCCCNC(=O)c1cccc(C(C)=O)c1 862358690 QXPULOQESAMMPA-UHFFFAOYSA-N 261.365 3.589 30 20 CHED C#C[C@H](OC(=O)c1nc(C(C)C)oc1C)c1ccc(C)cc1 860963273 SUQNSWGTQQJWNY-HNNXBMFYSA-N 297.354 3.946 30 20 CHED Cc1cccnc1C=NNc1c(F)cccc1Cl 769829019 LPQWRJHRAPBXAB-UHFFFAOYSA-N 263.703 3.629 30 20 CHED COc1cc(F)cc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)c1 762433807 IYRLJGXXUVCOCD-SRVKXCTJSA-N 262.328 3.668 30 20 CHED Cc1noc(C2CC2)c1C(=O)OCCCCC(C)(C)C#N 768850726 IRXRMOMOOYGVKJ-UHFFFAOYSA-N 290.363 3.737 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C[C@@H]2CCC[C@@H](C)C2)o1 768364002 DSOJWTSSWADXQI-CHWSQXEVSA-N 288.395 3.969 30 20 CHED CC(=NNc1ncc(F)cn1)c1ccc2ccccc2c1 760246850 JSZAFCYYLPWMPN-UHFFFAOYSA-N 280.306 3.605 30 20 CHED CC#CCSCc1ccc(N2CCC(OC)CC2)cc1 1117975224 KHVJVWPTVGWLAT-UHFFFAOYSA-N 289.444 3.558 30 20 CHED C=CCCOCc1nc(-c2cc3ccccc3o2)no1 1116808720 AMVHZQJMGOKGNV-UHFFFAOYSA-N 270.288 3.576 30 20 CHED CC(=NNc1cccc(Br)c1)[C@@H]1CCCOC1 779767521 GCTYCSAIDIXQCI-LLVKDONJSA-N 297.196 3.664 30 20 CHED C[C@@H](C#N)CNN=Cc1ccc(-c2cccs2)cc1F 771108223 RTNCHDZXNSGQNI-NSHDSACASA-N 287.363 3.637 30 20 CHED C=CC[C@H](NC(=O)/C(C)=C(/C)CC)c1ccncc1 779944569 QUSLQKCNLNEFAC-LLNWESEBSA-N 258.365 3.561 30 20 CHED C=CCC[C@@H](C(=O)OCc1cc(C)no1)c1ccccc1 778559811 WCEHAKVBKMWYLF-MRXNPFEDSA-N 285.343 3.776 30 20 CHED C1CCN([C@H]2CCCCC2=NOC2CCCC2)CC1 774605857 ASWBASPNPRMAOV-INIZCTEOSA-N 264.413 3.730 30 20 CHED C#CCCCCCC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 779841140 ZUWLNPZDVJVZBJ-CYBMUJFWSA-N 289.331 3.783 30 20 CHED Cc1ccc(NC(=O)Cc2ccccc2CC#N)cc1C 776727106 ATWCULUAQFWREW-UHFFFAOYSA-N 278.355 3.551 30 20 CHED C#CCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 776852161 PWJVFKDEJPXOMC-RCCFBDPRSA-N 253.389 3.668 30 20 CHED C#CCCCCCC(=O)NC(C)(C)c1cccc(F)c1 779955764 ZEKJUXQRYMNACY-UHFFFAOYSA-N 275.367 3.761 30 20 CHED CC(=NNC[C@H](C)C#N)c1cc(F)c(Cl)cc1Cl 771110888 DCFKXCCTWXGKBG-SSDOTTSWSA-N 288.153 3.606 30 20 CHED CCOCCON=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 774430669 CAGXEYCQKKYXJN-ZBFHGGJFSA-N 275.392 3.999 30 20 CHED Cc1ccc(C=NN[C@H](Cc2ccccc2)C(C)C)o1 777449796 ZHBPOOUPVSQNGA-QGZVFWFLSA-N 270.376 3.779 30 20 CHED COc1ccc([C@H]2CCCN2c2ccc(C)nc2C#N)cc1 881760616 GUPGRAANFYKIED-QGZVFWFLSA-N 293.370 3.612 30 20 CHED N#CCc1ccc(NC(=O)c2cccc(C3CC3)c2)cc1 1124553113 NCSLZOLYPUCFHE-UHFFFAOYSA-N 276.339 3.882 30 20 CHED CCc1cc(C#N)c(NC(=O)c2nccc3occc23)s1 1125352111 YQXGEDATHXTTQD-UHFFFAOYSA-N 297.339 3.576 30 20 CHED CC(=NN[C@H]1CCOC1)c1cc2c(ccc3ccccc32)o1 788447101 OYGKXGUYZZFCMC-AWEZNQCLSA-N 294.354 3.689 30 20 CHED CC[C@H](CC#N)OC(=O)c1oc2c(F)cccc2c1C 787089335 KFRGLSWRNVUOOW-SNVBAGLBSA-N 275.279 3.729 30 20 CHED C=CCCCCCOC(=O)c1sc(COC)nc1C 784407034 NGYCQELUIBNXTQ-UHFFFAOYSA-N 283.393 3.501 30 20 CHED N#Cc1cccc(NN=Cc2cnc(-c3ccco3)s2)c1 782187203 XCNHQIDTGZIXAD-UHFFFAOYSA-N 294.339 3.721 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cscn2)cc1F 782351635 MPFSSYORFXCDIX-HWKANZROSA-N 277.320 3.577 30 20 CHED CCc1cccc(Cl)c1C=NNc1cccc(OC)n1 788725941 QXGIVADNNSVVCZ-UHFFFAOYSA-N 289.766 3.752 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 786610880 HWJYWQRCGNTOBI-IAQYHMDHSA-N 277.320 3.801 30 20 CHED COc1ccc2c(c1)CC[C@@H](Nc1ccc(C#N)cc1)C2 784175662 VXLWYJDCZTZOGP-QGZVFWFLSA-N 278.355 3.536 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1cc(C)nn1C 788940687 VGFXIYQOZPJXEZ-UHFFFAOYSA-N 296.296 3.583 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)NC(C)(C)C 782198969 AGBZZHBAZHDFHW-UHFFFAOYSA-N 276.380 3.504 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NNC1CCCCC1 786043078 HDIRTKFHOCGNDR-UHFFFAOYSA-N 273.355 3.872 30 20 CHED CCC1(CC)CN(Cc2ccc(C#N)cc2C)CCS1 1473359988 DNOUVICEZGSQBD-UHFFFAOYSA-N 288.460 3.974 30 20 CHED CCc1nc(C)c(C(C)=NNCC2(C)CCCC2)s1 793085054 WEIGXRYGSFSTHK-UHFFFAOYSA-N 279.453 3.908 30 20 CHED CCCCCCCS(=O)(=O)Nc1noc2ccccc12 795588854 XIPUBFUCNZTVFS-UHFFFAOYSA-N 296.392 3.540 30 20 CHED Fc1cccnc1NN=Cc1ccccc1C(F)(F)F 794991418 YUNODYWYXJVCSI-UHFFFAOYSA-N 283.228 3.686 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1cccc(C(C)(C)C)c1 796759560 JUGQAXXJALSXMM-INIZCTEOSA-N 259.349 3.829 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C(C)C 798556344 IHEZMNWBGKBXGY-DZGCQCFKSA-N 298.386 3.793 30 20 CHED C#C[C@H](C)NC(=O)c1sc2cc(Cl)ccc2c1Cl 186104182 IIOFJVHLUQTLFM-ZETCQYMHSA-N 298.194 3.960 30 20 CHED CN(c1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 511650240 QXILLSCCVBZFKS-GOSISDBHSA-N 262.356 3.552 30 20 CHED Fc1ccc(/C=C/C=NNC2CCCCC2)cc1F 794932470 IDHJPRFCGGXGJF-LJGOCUTKSA-N 264.319 3.886 30 20 CHED Cc1ccc(NC(=O)/C=C/C(=O)c2ccc(C)cc2)cc1 899911947 WPVBEDIBLBSABT-VAWYXSNFSA-N 279.339 3.681 30 20 CHED Cc1ccnc(CON=C(c2ccccc2)C(F)(F)F)c1 791443616 YPYBIKSSFCBAGJ-UHFFFAOYSA-N 294.276 3.873 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccc2c(c1)CCCC2 794696287 DJWOCWDXOBTYHW-KTKRTIGZSA-N 280.371 3.503 30 20 CHED CCCCCCCCSCc1ccn(C)c(=O)c1 790562033 PBNBJAYFDUIDJU-UHFFFAOYSA-N 267.438 3.979 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)c1nnc2ccccn12 793515023 HRBSPCPCIMPFQX-LSDHHAIUSA-N 286.423 3.905 30 20 CHED CCCCCCCNC(=O)C1(C#N)CCCCC1 703707286 AYJALSBOMPNEFG-UHFFFAOYSA-N 250.386 3.547 30 20 CHED CCCCCCCCCC(=O)NC1(C(=O)O)CCCC1 59213260 IRYXLGMABHFULC-UHFFFAOYSA-N 283.412 3.641 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1nc2c(s1)CCCC2 793113430 ABIIGGUUESTRIC-LLVKDONJSA-N 279.453 3.770 30 20 CHED N#Cc1ccc(F)c(CNc2cc(F)c(F)c(F)c2)c1 61095792 GVUPGKLINXLYOQ-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](CC)CCCC)c1 728482458 PFBGPTWZNMYOLL-OAHLLOKOSA-N 257.377 3.847 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1cccc(C(F)F)c1 791761806 GDZOQINYEGFIRZ-NSHDSACASA-N 284.302 3.649 30 20 CHED C=CC[C@H](CC)NC(=O)NCC(CC)(CC)SC 798427258 RXSGQRHJAUGQBJ-LBPRGKRZSA-N 272.458 3.562 30 20 CHED C=CCCC(=O)OCC(=O)c1csc2ccccc12 795480335 FYQDKADSRGZLFW-UHFFFAOYSA-N 274.341 3.593 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccnn1C(C)C)CC2 794945943 LUDIRVKDYYZZMF-PTNGSMBKSA-N 280.371 3.985 30 20 CHED CC(C)[C@@H](Cc1ccccc1)OC(=O)c1ccc(C#N)o1 797116866 ACQAANCTLNLERQ-MRXNPFEDSA-N 283.327 3.575 30 20 CHED N#Cc1ccccc1NCc1c(O)ccc(Cl)c1F 798189455 RRDQWMYDLAGCIZ-UHFFFAOYSA-N 276.698 3.668 30 20 CHED C#CCN(C[C@@H](O)c1cccc(Cl)c1)C1CCCCC1 743843383 YTIWNXRSEXMOFF-QGZVFWFLSA-N 291.822 3.641 30 20 CHED CC1CC(CNc2cc(Br)c(C#N)cc2F)C1 691942021 ASQCSSGKLFAQSH-UHFFFAOYSA-N 297.171 3.918 30 20 CHED CCCCCCCC(=O)N1CCCC(C)(C)[C@H]1C#N 765119139 IGNYZZSHXWGFDD-CQSZACIVSA-N 264.413 3.888 30 20 CHED COc1ccc(CNc2cccc(F)c2C)cc1C#N 87824030 WHUJWPKNJLECDQ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1cc2c(NC(=O)[C@H]3CCCC[C@@H]3C)n[nH]c2cc1C#N 1164586843 CPDNDXVLIVEXMF-GWCFXTLKSA-N 296.374 3.508 30 20 CHED CC(C)c1nc(C=NOCc2ccccc2)cs1 1323882756 OGQRUCULNDDALW-UHFFFAOYSA-N 260.362 3.817 30 20 CHED CC(C)(C)c1ccc(NN=C2CCc3ccccc3C2)nn1 1318574455 BAJHXIVHNLOEKD-UHFFFAOYSA-N 294.402 3.731 30 20 CHED Cc1cc([C@@H](C)NCc2cccc(OCC#N)c2)cs1 1328092087 URTMHXJXRHQYTD-CYBMUJFWSA-N 286.400 3.810 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NOCCC(F)(F)F 1320446509 WMCCHCVLRKZAKL-SECBINFHSA-N 287.281 3.881 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@@H](C(C)C)Nc2ccccc21 1327982400 VXJCKCQVRXMYOG-ZDUSSCGKSA-N 294.345 3.681 30 20 CHED N#Cc1ccc(COC(=O)C2(c3ccccc3)CCC2)s1 1327197079 MACWLERSEVHFGE-UHFFFAOYSA-N 297.379 3.785 30 20 CHED N#CC1(CNC(=O)c2ccc(-c3ccccc3)s2)CCC1 1328694467 NCKBNNUTBJPINE-UHFFFAOYSA-N 296.395 3.839 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC2CCC1CC2 1325566178 WJZFWRKXBGKSMC-ADKAHSJRSA-N 298.430 3.758 30 20 CHED Cc1cccc(N=C2NN=C(c3cccs3)CS2)c1 1328384358 IXHSZCWGOKOSOD-UHFFFAOYSA-N 287.413 3.785 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CCC(C)(C)C1 1180739830 HUWBUYRFVBSUAP-CYBMUJFWSA-N 258.365 3.948 30 20 CHED Cc1cc(CN2C[C@H](C)CC(C)(C)C2)ccc1C#N 1657529282 IEBFDQFZKGIOLK-CYBMUJFWSA-N 256.393 3.735 30 20 CHED CCc1ccccc1CCOc1ccc(C#N)cc1OC 1187993801 CJRWVQZFMPGKMC-UHFFFAOYSA-N 281.355 3.751 30 20 CHED C[C@@H](CCCC(F)(F)F)Nc1cccc(CC#N)n1 1255779383 PUAJKIGVMJCFSE-JTQLQIEISA-N 271.286 3.681 30 20 CHED CCCC1CCN(c2cc(C(C)=O)ccc2C#N)CC1 1337737168 XAADSVJIKHMLFZ-UHFFFAOYSA-N 270.376 3.777 30 20 CHED N#Cc1ccc(OCc2nnc(/C=C\C3CCCC3)o2)cc1 1330072892 CPEGYAFLUHSQQK-YFHOEESVSA-N 295.342 3.724 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CCCCOC)c1cccs1 1263525030 YKDSFQANJLVBQC-DOMZBBRYSA-N 295.404 3.699 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(OCCC(C)C)CC1 1333615886 JEIPZBOXQAPOQG-HNNXBMFYSA-N 281.440 3.642 30 20 CHED Cc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1F 1264227404 SVMOQBIFKWKXLJ-HNNXBMFYSA-N 282.318 3.770 30 20 CHED C=C1CCC(C(=O)N2CCC3(CCCC3)CC2)CC1 1350716713 GROCBRNUAKQSJP-UHFFFAOYSA-N 261.409 3.916 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2cc(C#N)c(F)cc2F)C1 1438610517 KXDABQBCYSVWTF-NXEZZACHSA-N 278.302 3.601 30 20 CHED Cc1c(Cl)cncc1NC(=O)[C@@H](CC#N)c1ccccc1 1436541292 QYOUWYCMJKROEX-ZDUSSCGKSA-N 299.761 3.679 30 20 CHED C=CCCC(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1525978634 SFTNDCNOKPTFCE-RISCZKNCSA-N 263.362 3.848 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1C[C@H](C)CC(C)(C)C1 1524061865 NZMBGYVVYMIEQD-LLVKDONJSA-N 298.381 3.664 30 20 CHED C=C(CC)C(=O)NC1(C(C)(C)c2ccccc2)CC1 1521653122 PGQWLVVQGVNXNP-UHFFFAOYSA-N 257.377 3.579 30 20 CHED CC1(C)CC[C@@H](C(=O)O[C@H](CC#N)c2ccco2)C1 1520425288 NKKPZYXUAFWHAQ-DGCLKSJQSA-N 261.321 3.604 30 20 CHED Cc1cccc(C#N)c1SCc1cc(C(=O)O)c(C)o1 1600511309 XRNORUMYJFHVOH-UHFFFAOYSA-N 287.340 3.759 30 20 CHED N#Cc1cccc(NCc2cc(C(=O)O)ccc2Cl)c1 1601120810 NHWNPTVSZRKWAC-UHFFFAOYSA-N 286.718 3.522 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2ccc(C(F)F)cc2)c1 1608986074 YZAQMBARHGUSBO-UTCJRWHESA-N 292.237 3.812 30 20 CHED Cc1ccc(CC(=O)Nc2cccc(CC#N)c2)cc1Cl 1460141017 GHXMLVIJCZIEAV-UHFFFAOYSA-N 298.773 3.896 30 20 CHED CC(C)CN(CCC#N)C[C@@H](C)c1cc(F)cc(F)c1 1474403059 WWLBRPLUOJGRPH-CYBMUJFWSA-N 280.362 3.940 30 20 CHED Cc1cc(OCC(=O)c2cc(C)c(F)c(C)c2)ccc1C#N 1613750333 ZORSIBMCYCDISV-UHFFFAOYSA-N 297.329 3.884 30 20 CHED COc1cc(NC(=O)c2cc(C)cc(C)c2)c(F)cc1C#N 1623344718 HTTVIBQMPHGEQT-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(C)(C)CC(C)(C)C1 855690057 IXODFYTWFWXSKW-UHFFFAOYSA-N 263.425 3.711 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cn(C)c3ccccc23)c1 1626379437 DLFOXCRCXXERAI-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)cc(Cl)c1C(=O)O 1588691234 VCHHNOBQNZKDDR-QMMMGPOBSA-N 299.729 3.718 30 20 CHED CC(=O)c1cc(NC(=O)c2ccc(CC#N)cc2)ccc1C 1586138016 JIKHJHIOGPIEBE-UHFFFAOYSA-N 292.338 3.516 30 20 CHED C#CCCCNCc1ccc(OCc2ccccc2)cc1 230705542 ULEGFMFUZKPUNE-UHFFFAOYSA-N 279.383 3.769 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccncc1Cl 1655973773 AMBAMDMYKSKJMV-LLVKDONJSA-N 287.750 3.638 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1cncc(C#N)n1 1655066836 YKVIFCKGIBWNPH-OCCSQVGLSA-N 272.396 3.613 30 20 CHED N#CC1CCC(CNc2cc(-c3ccccc3)ncn2)CC1 1651004768 JGKMGMJPQPEPKR-UHFFFAOYSA-N 292.386 3.885 30 20 CHED Cc1cc2occ(C(=O)Nc3cccc(C#N)n3)c2cc1C 1585912090 BNIYUTRHAJDCHF-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C=C(C)CON=Cc1csc2ccc(C(=O)O)cc12 1776090727 XFHZWEJDHXEDQA-UHFFFAOYSA-N 275.329 3.526 30 20 CHED C[C@@H]1C(=NNc2ccc(Cl)cc2F)CC[C@H]1CC(=O)O 1776106709 RFQCFPZWSXJGDY-IUCAKERBSA-N 298.745 3.768 30 20 CHED C=CCC1(C(=O)O)CCN(CC2CCC(CC)CC2)CC1 1776158287 KYEWRQPTKIBSKY-UHFFFAOYSA-N 293.451 3.946 30 20 CHED CC(C)c1ccc(O)c(C=NNc2cccc(C(=O)O)c2)c1 1776038237 YNNSWJJVUGWJAS-UHFFFAOYSA-N 298.342 3.660 30 20 CHED C=CC[C@]1(C(=O)O)CCN(Cc2cccc(C(C)C)c2)C1 1776162456 AQDBYDOTCCOWDG-SFHVURJKSA-N 287.403 3.663 30 20 CHED CC(C)(C)CC(=NNc1cccc(C(=O)O)c1)C1CC1 1776037095 UWZWZAMOXFLFRF-UHFFFAOYSA-N 274.364 3.999 30 20 CHED CC(C)C[C@H]1CCC1=NNc1ccc(F)c(C(=O)O)c1 1776064912 MBUHUKLGBDERHY-SNVBAGLBSA-N 278.327 3.748 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1cc(C(=O)O)ccc1F)C2 1777455628 HAMGSOPAHNKCLV-ZROIWOOFSA-N 296.297 3.655 30 20 CHED CCCCCC(CCCCC)=NN[C@H](CC)C(=O)O 1776065929 MQNHFVSEBQWJEM-CQSZACIVSA-N 270.417 3.956 30 20 CHED Cc1ccsc1/C=C1\CCc2occ(C(=O)O)c2C1=O 1777477373 DLRYQAAFNAFNPM-RMKNXTFCSA-N 288.324 3.560 30 20 CHED Cc1cccc(C(=O)/C=C/c2cccc(CC(=O)O)c2)c1 1776127467 UGHGYFIHDQYETJ-CMDGGOBGSA-N 280.323 3.518 30 20 CHED O=C(O)c1cc(NN=Cc2cccc(C3CC3)c2)ccc1F 1776063277 JUNXYDUCHFOEMG-UHFFFAOYSA-N 298.317 3.847 30 20 CHED C#Cc1cccc(NCc2ccc(Br)o2)c1 19876845 IVRVSIFNZIXKPX-UHFFFAOYSA-N 276.133 3.636 30 20 CHED CCCCCCCN1CCC([C@H](O)C(F)(F)F)CC1 161198598 JTZNCRUNQWASCF-ZDUSSCGKSA-N 281.362 3.592 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@H](C)c2ccncc2)c1 160422146 AXTOXZZFQYSJCM-HNNXBMFYSA-N 292.382 3.610 30 20 CHED N#Cc1ccc(N2C[C@H]3CCC[C@H]3C2)c(Br)c1 168567078 IUPKXIJYBMHZHV-TXEJJXNPSA-N 291.192 3.557 30 20 CHED C=C(C)CN(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 157057997 UHQDXJMYAYYGOK-SJLPKXTDSA-N 272.436 3.547 30 20 CHED C=CCCOCCNC(=O)[C@H](c1ccccc1)[C@@H](C)CC 155204165 ZMKIEOKBRBTWBE-RDJZCZTQSA-N 289.419 3.525 30 20 CHED CC#CCCn1cnc2cc(-c3ccccc3)sc2c1=O 155211383 FKBZWXSIEOFEIE-UHFFFAOYSA-N 294.379 3.538 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(F)cc2C#N)n1 159846283 LJONLMQQFLNYSE-SFHVURJKSA-N 295.361 3.738 30 20 CHED CCOc1ccccc1NCc1cccc(C#N)c1 19903883 NNDSERDJKSBAFJ-UHFFFAOYSA-N 252.317 3.569 30 20 CHED C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C 35121333 YOVWRJPLBSQWPO-WZRBSPASSA-N 273.336 3.703 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N(CC)C(C)C 162547993 HNPGXYVPLRCIFR-UHFFFAOYSA-N 260.381 3.525 30 20 CHED N#Cc1ccc(Cl)cc1NCCOCc1ccccc1 301464421 GMXFPMBAGPFQKO-UHFFFAOYSA-N 286.762 3.840 30 20 CHED N#Cc1ccc(CC(=O)Nc2ccc(F)c(Cl)c2)cc1 70158532 RNQAHORUIIVDGQ-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@H](CC#N)N(C)CCc1cc(Cl)cc(Cl)c1 194638766 UZPSAJJWVOOPAS-SNVBAGLBSA-N 271.191 3.770 30 20 CHED C[C@H]1[C@@H](C)N(CCCCC#N)C[C@@H](C)N1Cc1ccccc1 404430218 OGSPCNHZCGBZFU-KURKYZTESA-N 299.462 3.664 30 20 CHED CCC[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 466833991 WWFCVUQEUDCHGJ-LLVKDONJSA-N 263.772 3.623 30 20 CHED CCCc1sc(C(=O)N2CCC[C@@H](C#N)C2)cc1CC 701330577 WUPHDPGSVWTEJH-LBPRGKRZSA-N 290.432 3.639 30 20 CHED Cc1cc(C)c(C#N)c(NC2CCC(F)(F)CC2)n1 341334056 HVMRCOQEMFJDSZ-UHFFFAOYSA-N 265.307 3.560 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cccc(C)c1C 804836032 QDOWLDINOASQGM-UHFFFAOYSA-N 277.367 3.579 30 20 CHED C=CCCC[C@H](C)NC[C@H](O)c1ccc(Cl)cc1 398207492 YXXYGMVWMUEBAI-WFASDCNBSA-N 267.800 3.708 30 20 CHED Clc1ccc(C=NNCc2ccccc2)s1 839399536 QADPKXOTGBHKCG-UHFFFAOYSA-N 250.754 3.525 30 20 CHED C[C@H](C#N)Sc1ncnc2sc3c(c12)CCCC3 6112055 WLXZQPGLCXEWRB-MRVPVSSYSA-N 275.402 3.574 30 20 CHED COc1cc(C(=O)/C=C/c2cccc(C)c2)ccc1O 8509837 JQQQADFGQVKSIH-SOFGYWHQSA-N 268.312 3.605 30 20 CHED Cc1ccc(-c2ccc(C(=O)NC(C)(C)C#N)c(F)c2)cc1 106906641 CHEGWQBVIFFTOL-UHFFFAOYSA-N 296.345 3.833 30 20 CHED C=CCN(C(=O)c1noc2c1C[C@@H](C)CC2)c1ccccc1 9227045 BBGOJMHELCCWRD-ZDUSSCGKSA-N 296.370 3.632 30 20 CHED Cn1c([C@H](C#N)C(=O)CC2=CCCCC2)nc2ccccc21 106982404 DPZHTUDRKYTCGG-CQSZACIVSA-N 293.370 3.640 30 20 CHED CC(C)CCN(CCC#N)C(=O)CCC1CCCC1 103440672 SYIKJBUBVCJHHS-UHFFFAOYSA-N 264.413 3.745 30 20 CHED Cc1ccc(C)c(C(=O)CCC(=O)O[C@H]2CC[C@H](C#N)C2)c1 179920710 HPIUJFNANDCJJS-GJZGRUSLSA-N 299.370 3.502 30 20 CHED C=CCNC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 56679499 OKGYQRYHVFHMLF-UHFFFAOYSA-N 295.386 3.631 30 20 CHED C=CCN(CC=C)C(=O)Cc1coc2c(C)c(C)ccc12 58045053 LUDHFJSYUXOBQY-UHFFFAOYSA-N 283.371 3.793 30 20 CHED C[C@@H](O/N=C(\N)C1CCCC1)c1ncc(-c2ccccc2)o1 177670992 YQWWNCKUGJNXRC-GFCCVEGCSA-N 299.374 3.882 30 20 CHED C=CCCC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 171421349 LFEVKBKXKXDZET-UHFFFAOYSA-N 283.375 3.667 30 20 CHED Cc1ccccc1CCNC(=O)Nc1cccc(C#N)c1C 178533264 AHCZZLLAXFVZAQ-UHFFFAOYSA-N 293.370 3.539 30 20 CHED COC(=O)c1ccc(CSc2cccc(C#N)c2)cc1 177098900 HQODVIWDROHXEW-UHFFFAOYSA-N 283.352 3.637 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c(F)c1Cl 1344036545 SMNUZLZBXAETOL-NXEZZACHSA-N 281.714 3.637 30 20 CHED CC[C@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 178992700 WYWJXIYKIIRMMR-LBPRGKRZSA-N 289.379 3.608 30 20 CHED C=CC(C)(C)COC(=O)c1cccc2oc(C)nc12 1344469228 IIMKKAJMBLQINO-UHFFFAOYSA-N 259.305 3.505 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2ccc(C#N)cn2)c1 301434446 HBFPGWKUJBVSEX-CQSZACIVSA-N 265.360 3.613 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1c[nH]c2ccccc12 119129752 XYMAOYKYAKBEFN-CMDGGOBGSA-N 287.322 3.712 30 20 CHED CCC[C@H](NCCCCC#N)c1ccc(OC)cc1 178641432 WUACIDAAJLZEAO-INIZCTEOSA-N 260.381 3.820 30 20 CHED C[C@H](C[C@@H](O)c1ccco1)Nc1c(Cl)cccc1C#N 301881706 IHVQWHUOPZQZTQ-ZWNOBZJWSA-N 290.750 3.729 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2c(F)cc(F)cc21 176979528 JOJIMRJOVQUKID-UHFFFAOYSA-N 277.314 3.622 30 20 CHED Cc1ccc(-c2cncc(C(=O)O[C@H](C)CC#N)c2)cc1 125483470 UBBKSINBSFMEGC-CYBMUJFWSA-N 280.327 3.516 30 20 CHED Cc1sc(C(=O)N[C@H](C)C#N)cc1-c1ccc(F)cc1 128519875 PMWRZUVGCYICFB-SECBINFHSA-N 288.347 3.505 30 20 CHED C#CCCCOC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 303836905 RWPXLVPXJKUBRY-LBPRGKRZSA-N 298.304 3.841 30 20 CHED N#Cc1csc(/C=C2\CCc3ccccc3C2=O)c1 176836765 BZQMSCITHJZJHZ-MDWZMJQESA-N 265.337 3.832 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)o1 121309998 YCPKOSROAWKCDQ-QPJJXVBHSA-N 260.264 3.583 30 20 CHED Cc1ccc2c(CC(=O)N[C@](C)(C#N)C(C)C)coc2c1C 122232349 ZNKZSNSULBOVTO-GOSISDBHSA-N 298.386 3.647 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)CC1CCCC1 181403347 JVKBKLGRGYRFOA-CYBMUJFWSA-N 252.402 3.563 30 20 CHED Cc1cc(Cl)c(C(=O)N[C@@](C)(C#N)C(C)C)cc1C 180364454 BIQLNKMHKAYBDI-HNNXBMFYSA-N 278.783 3.625 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H](C)c1ccccc1 123229181 AIIJARGXGFVVAZ-HNNXBMFYSA-N 272.392 3.578 30 20 CHED N#CCC[C@@H](C#N)CN1CC=C(c2ccc(Cl)cc2)CC1 127449470 IPEXBYCBAYMGCZ-AWEZNQCLSA-N 299.805 3.873 30 20 CHED C[C@H](NCc1ccccc1C(C)(C)C#N)c1nccs1 184441426 BXPYWOOQXIUOKT-LBPRGKRZSA-N 285.416 3.795 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 506750081 FZGMXPDTTSGYMK-AAEUAGOBSA-N 290.794 3.768 30 20 CHED CCOc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1OC 123216622 MHUZCQJESCHABR-UHFFFAOYSA-N 293.326 3.509 30 20 CHED Cn1c(NCc2cccc(C#N)c2)nc2cccc(Cl)c21 184312162 AUYOKJJBXQMCFC-UHFFFAOYSA-N 296.761 3.710 30 20 CHED N#Cc1c(F)cccc1CSCCC1CCOCC1 419478595 NGRXNORMXCDUND-UHFFFAOYSA-N 279.380 3.747 30 20 CHED CN(CCCOc1ccc(C#N)cc1)C1CCCCCC1 36328545 CVWXDYSGOIZBPB-UHFFFAOYSA-N 286.419 3.982 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 183355826 XWEPSUBZDAHMSY-IRXDYDNUSA-N 293.451 3.855 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OCC)cc1F 417458953 GJCRTNSUCBXRTQ-LBPRGKRZSA-N 292.354 3.797 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)CSc1ccccc1 410828245 NEPSGSWFHQKCOA-ZIAGYGMSSA-N 290.432 3.565 30 20 CHED N#Cc1cnc(N[C@H](c2ccccc2)C2CC2)c(F)c1 413032436 IIPHSELKDNXPHH-OAHLLOKOSA-N 267.307 3.656 30 20 CHED CCOCCC1(CNc2ccc(C#N)c(Cl)c2)CC1 127817273 SGJFXBXBBXTKPZ-UHFFFAOYSA-N 278.783 3.830 30 20 CHED Cc1ccc(C[C@@H](C)Nc2ncc(C#N)cc2F)s1 413155235 MAHKOTDVCDKHNO-SECBINFHSA-N 275.352 3.505 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(F)cc1C#N 489580019 UESQISHCFAKIOV-MLGOLLRUSA-N 260.356 3.708 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc2cc(C)ccc2nc1C 410828592 OBZINJDRIUDCEG-OAHLLOKOSA-N 295.386 3.616 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1nc2ccccc2s1 188159290 JHEPBOGMUMBDJZ-HNNXBMFYSA-N 274.389 3.515 30 20 CHED CC(C)[C@@H](CN[C@H]1CCC[C@H](C#N)C1)Nc1ccccc1 185769037 OFHNEPMTRROUOA-RYQLBKOJSA-N 285.435 3.795 30 20 CHED CC[C@@H](N[C@@H](C)c1nccs1)c1ccc(C#N)cc1 414217438 BQIBHHIBBDJEBI-SMDDNHRTSA-N 271.389 3.817 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C#N)cc2)cccc1[N+](=O)[O-] 130094217 WQYRQJNYASCHIL-MDZDMXLPSA-N 292.294 3.671 30 20 CHED N#CCCCCSCc1csc(C2CC2)n1 135385833 XMDLEGXGQRTMLE-UHFFFAOYSA-N 252.408 3.948 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(F)cc1OCC#N 180747774 NBSYGOLOWSEGBY-NWDGAFQWSA-N 262.328 3.741 30 20 CHED C[C@@H](N[C@@H]1CCc2ccccc2OC1)c1cccc(C#N)c1 509517328 SSPURXAORVYHEG-RDTXWAMCSA-N 292.382 3.603 30 20 CHED Cc1cc(C(=O)/C=C\c2c(Cl)cnn2C)c(C)s1 210386812 VGSIJVHBGHIUEG-PLNGDYQASA-N 280.780 3.648 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2)cc1F 71802173 CXTOEYJNASJVPO-VQHVLOKHSA-N 256.276 3.730 30 20 CHED N#CC1(C(=O)N2Cc3ccccc3C3(CC3)C2)CCCCC1 184594116 CWHZTUFHOHKNDG-UHFFFAOYSA-N 294.398 3.534 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(CCC#N)CCC#N 413224172 YGMWGPGNPQPIJX-MRXNPFEDSA-N 289.423 3.639 30 20 CHED CC[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)[C@H]1CC1(C)C 416087195 XODGVZMBHCFRMA-HZPDHXFCSA-N 296.414 3.531 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)Nc1cccc(C#N)c1 524065155 JHCWDAPHAJOXNU-GFCCVEGCSA-N 273.380 3.895 30 20 CHED C=CCC1(C(=O)N2CCOC(C)(C)[C@H]2C)CCCCC1 410574493 LDEKKIPMNHEEJE-CQSZACIVSA-N 279.424 3.539 30 20 CHED Cc1ccc2[nH]c([C@H]3CCCN(CCCCC#N)C3)nc2c1 130831644 RIDNLNIMZGLPAW-HNNXBMFYSA-N 296.418 3.745 30 20 CHED C=CCN(C(=O)Nc1ccccc1C(F)F)C1CC1 425702266 MJNHVEMDLGIQDM-UHFFFAOYSA-N 266.291 3.807 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1nccn1-c1ccccc1 194585914 ZRGVKQGBOYGAFJ-ZHACJKMWSA-N 299.333 3.640 30 20 CHED C=CCCN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 425531231 HAJLMFAMSCZFCO-GFCCVEGCSA-N 282.309 3.996 30 20 CHED N#Cc1c(F)cccc1OCc1coc(-c2ccccc2)n1 131941163 QCIYROVSTJBAQD-UHFFFAOYSA-N 294.285 3.931 30 20 CHED CCCN(CC)c1ccc(C#N)c(Br)c1 228177621 JDGABCOKOCJYDH-UHFFFAOYSA-N 267.170 3.557 30 20 CHED C[C@@H]1CCC[C@H](NC2CCN(c3ccc(C#N)cc3)CC2)C1 513702198 FUYLZBFGDVTHEQ-QAPCUYQASA-N 297.446 3.695 30 20 CHED O=C(NCC#Cc1cccc(F)c1)[C@@H]1C[C@H]1C1CCCCC1 513218219 IDCFMUKPMJKGAX-ZWKOTPCHSA-N 299.389 3.510 30 20 CHED CC(C)[C@@H]1CN(CCCCC#N)CCN1Cc1ccccc1 528642570 WZZBUMUBPDWULB-IBGZPJMESA-N 299.462 3.523 30 20 CHED C=CCCCC(=O)N1CCc2cc(Cl)ccc2C1 191496057 BKZLKMWSOFQKJL-UHFFFAOYSA-N 263.768 3.581 30 20 CHED Cc1oc2ccccc2c1CN[C@@H]1CCC[C@H](C#N)C1 193296709 BCBLOIPNZSWADB-UONOGXRCSA-N 268.360 3.913 30 20 CHED CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC)cc1 424335999 XHKDZQQCIRUVKD-YSVLISHTSA-N 272.392 3.818 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1cc(C)nn1C 194267795 AFFYBNILDJBCFN-UHFFFAOYSA-N 294.443 3.943 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](C)COCc1ccccc1 429881716 FSKALKOYTDLKJP-OAHLLOKOSA-N 289.419 3.558 30 20 CHED O=C1CCC(/C(O)=N/[C@H]2CCOC3(CCCCC3)C2)CC1 330219917 KMYBYISTAGYSTQ-AWEZNQCLSA-N 293.407 3.584 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nnc(-c2ccccc2)s1 424720858 LFSBVAZEXCAYHG-UHFFFAOYSA-N 287.388 3.746 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)n1 194130010 LBKCLLASUZPHDD-UHFFFAOYSA-N 293.370 3.752 30 20 CHED C=CC[C@@H](CC)NC(=O)CCn1ccc2ccccc21 337085199 DEWIJEVUZRRBJW-OAHLLOKOSA-N 270.376 3.502 30 20 CHED Cc1cc(F)c(CN[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 424199368 KTPNKSIDOWKCAX-WDEREUQCSA-N 266.747 3.569 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(OC(F)F)c1 426457654 YRDSCLKXDWBXSA-GXTWGEPZSA-N 292.329 3.534 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 330483595 UYJHTZJARXHXHT-RVKKMQEKSA-N 284.403 3.687 30 20 CHED CC1CCN([C@H](CNc2ccc(C#N)cc2)C(C)C)CC1 513167707 VWIJXYPYZUGTKU-GOSISDBHSA-N 285.435 3.727 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)cn1 517387280 BEBDDPXIJJESNB-QAPCUYQASA-N 291.398 3.721 30 20 CHED CC(C)CC[C@@H](C)Nc1nc(Cl)c(C#N)s1 232568491 MWPIZBDHARBVGT-MRVPVSSYSA-N 257.790 3.905 30 20 CHED C/C(=C/c1ccccc1)CN(C)C(=O)C1(C#N)CCCC1 427220565 VJDMJXMTCHWYNM-QINSGFPZSA-N 282.387 3.632 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@]12CCC[C@H]1C2 421443601 GKONOPYNRVHEKO-WMLDXEAASA-N 273.351 3.531 30 20 CHED C=C(C)CNC(=O)c1ccccc1OC1CCCCC1 428109006 WFFOTCQAAXHQFY-UHFFFAOYSA-N 273.376 3.704 30 20 CHED CC[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCC1 333830010 KYXHJEAQQKCAMR-YOEHRIQHSA-N 274.408 3.545 30 20 CHED C=CCCN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 513129302 XDSASKQTAQNVOR-CYBMUJFWSA-N 268.282 3.937 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2cccc(C(F)(F)F)c2)no1 334525133 FVDMUVRYQDKQQO-SDBXPKJASA-N 293.248 3.557 30 20 CHED CCc1ccc([C@H]2CCN(c3ccc(C#N)c(C)n3)C2)cc1 431498340 VFRDVCOYQVBDDB-SFHVURJKSA-N 291.398 3.818 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(SC)cc1 90451049 VNDIGIPBFAMBRA-ZDUSSCGKSA-N 265.422 3.652 30 20 CHED C=C[C@@H](C)NCc1cc(C)c(OCc2ccccn2)c(C)c1 237378450 NSWMFGMYQHVXEL-MRXNPFEDSA-N 296.414 3.942 30 20 CHED C=CCC[C@H](NCC(C)(C)N1CCCCC1)C1CC1 439096107 VRJYPHYLBAZXFW-INIZCTEOSA-N 264.457 3.585 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1C[C@H]1C 521705507 XHVQPCKOSUBCQM-MNOVXSKESA-N 283.824 3.962 30 20 CHED C=C(Br)CNC(C)(C)c1ccc(F)c(F)c1 180870731 SKCIUFXJNOJHPZ-UHFFFAOYSA-N 290.151 3.698 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)Cc2ccc(F)c(C)c2)c1 436427118 GCKIFEWQJWZOBM-UHFFFAOYSA-N 296.345 3.845 30 20 CHED Cc1nsc(NCc2ccc(OC(C)C)cc2)c1C#N 341743413 LVBIMNBYSJNLNS-UHFFFAOYSA-N 287.388 3.723 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1C[C@H]1C(F)F 348253785 FLYGHIIBZDCBEL-ILXRZTDVSA-N 276.330 3.569 30 20 CHED C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)Cc1cccs1 248715474 BVLWNOOBEZEGPV-MJBXVCDLSA-N 262.422 3.599 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CCc1ccccn1 347880058 LTTGUHYHFHVRGH-UHFFFAOYSA-N 294.398 3.619 30 20 CHED CC1(C)CCC(CNC(=O)c2ccc(C#N)s2)CC1 340350749 RDXXNHQBRPELOD-UHFFFAOYSA-N 276.405 3.566 30 20 CHED C[C@@H](SCC(=O)NCC(C)(C)C)c1cccc(C#N)c1 600626246 FFWQYIDTJXGUBP-GFCCVEGCSA-N 290.432 3.515 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1sc(C)c(C)c1C#N 341456465 IMYXKZCVBWFBKF-RISCZKNCSA-N 262.378 3.611 30 20 CHED N#CC1(N(C(=O)c2cccc(C(F)F)c2)C2CC2)CCC1 341580389 DMSZDTHCTPFBFQ-UHFFFAOYSA-N 290.313 3.675 30 20 CHED CC1(C)Cc2cc(/C=C\C(=O)c3ccco3)ccc2O1 255320032 OZSYKJFCKOEYBN-ALCCZGGFSA-N 268.312 3.889 30 20 CHED CC(C)(CCC#N)CNc1cc(C(F)(F)F)ccn1 340891568 IDZASPNUOKCDHA-UHFFFAOYSA-N 271.286 3.842 30 20 CHED CC(C)C[C@@H](NC(=O)[C@@H](C)C#N)c1ccc(Cl)cc1 346420765 ZVGMVRXHNQJHTJ-SMDDNHRTSA-N 278.783 3.703 30 20 CHED Cc1ccc(C=NOCc2nnc(-c3ccccc3)o2)cc1 255070178 WEZNRCCXAAMQRY-UHFFFAOYSA-N 293.326 3.596 30 20 CHED N#Cc1ccnc(NCc2ccc3ccccc3c2)c1 341779601 PQMLPTHKTFRINY-UHFFFAOYSA-N 259.312 3.719 30 20 CHED COc1ccc2oc(/C=C\c3ccc(C#N)cn3)cc2c1 255371644 KKEZZGPMGBCJPT-PLNGDYQASA-N 276.295 3.878 30 20 CHED COc1cccc2c(CNCCCCC#N)cccc12 449131032 JRCYYJJVEONRAS-UHFFFAOYSA-N 268.360 3.632 30 20 CHED CC(F)(F)CCC(=O)Nc1sc2c(c1C#N)CCCC2 603727670 MAYZDOUXLMAOBF-UHFFFAOYSA-N 298.358 3.872 30 20 CHED COc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1C(F)(F)F 442857360 NBHJIOFGIITMGI-VHSXEESVSA-N 284.281 3.818 30 20 CHED C=CCCCC(=O)N1Cc2cccc(Br)c2C1 184249553 OMXMYQPONHOZIK-UHFFFAOYSA-N 294.192 3.648 30 20 CHED N#Cc1ncccc1N[C@H]1CCc2sc(Cl)cc21 357605553 XNWDXDQQJXEBBV-VIFPVBQESA-N 275.764 3.768 30 20 CHED N#CC1(Cc2cn([C@H]3C=CCCC3)nn2)CCCCC1 603199017 IMMCXRIXISGNKT-HNNXBMFYSA-N 270.380 3.576 30 20 CHED CN(C)Cc1ccc(NC2CCC(C)(C#N)CC2)cc1 449039753 DTPRGLZROYKOCI-UHFFFAOYSA-N 271.408 3.633 30 20 CHED CCc1cc(C#N)c(NC(=O)CC[C@@H](C)SC)s1 359018525 KODIRLHCERZIBX-SECBINFHSA-N 282.434 3.652 30 20 CHED C=CCCCCCN1c2cc(Cl)ccc2CS1(=O)=O 447328007 WZOAPNUENXZYQQ-UHFFFAOYSA-N 299.823 3.736 30 20 CHED C=CCC1(C(=O)Nc2ccc(N3CCCC3)cn2)CCCC1 449524722 PHRXTAIBSHWZRZ-UHFFFAOYSA-N 299.418 3.757 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2CCc2ccccc2)n1 602440487 PPZGNFMZEUJPLC-IBGZPJMESA-N 291.398 3.550 30 20 CHED Cc1ccccc1CCCN(C)Cc1cccc(C#N)c1 440330273 XWQQWGQLTLZRFW-UHFFFAOYSA-N 278.399 3.931 30 20 CHED C[C@@H](C#N)CN(C)Cc1csc(-c2ccccc2F)n1 264014961 UHXONIRCTVXUFA-NSHDSACASA-N 289.379 3.541 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cccc(Cl)c1Cl 608880135 XMQSKGNOHLWKJR-SECBINFHSA-N 285.174 3.661 30 20 CHED CC(C)CN(CCCCF)Cc1ccc(C#N)cc1 351910838 QBJCTFFFIRBLEF-UHFFFAOYSA-N 262.372 3.766 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CCC(C)(C)C1 358970931 DRIACQPQJMQUGO-HNNXBMFYSA-N 278.440 3.991 30 20 CHED CC#CCNc1ccc(C)c(Oc2cc(C)ccn2)c1 537319520 WKCNJHRHVCJPAJ-UHFFFAOYSA-N 266.344 3.926 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@H]1CCCC)C1CC1 536797356 NKFNALXEMVVYAG-HIFRSBDPSA-N 264.413 3.705 30 20 CHED C=C(CC)CNCc1cccc(OC)c1OC(C)C 449731389 IMVAYDJQXUDAIH-UHFFFAOYSA-N 263.381 3.538 30 20 CHED C=C(CC)CSc1nncn1[C@@H](C)c1ccccc1 538012264 OQRZDHFZBIONDJ-ZDUSSCGKSA-N 273.405 3.946 30 20 CHED Cc1cc(N2CCC[C@](C)(C#N)C2)c2cc(F)ccc2n1 612108557 TWEHYWYWOWAALT-QGZVFWFLSA-N 283.350 3.812 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 449181420 HHICZPINXYCSLA-JJXSEGSLSA-N 251.414 3.669 30 20 CHED CC[C@@H](CC(=O)N(C)c1ccccc1C#N)C(C)C 269857516 QUJYJNCQTQCBEV-ZDUSSCGKSA-N 258.365 3.593 30 20 CHED C=C(C)CNc1ncnc2sc3ccccc3c12 440668944 LFXMQSYIBKMGBK-UHFFFAOYSA-N 255.346 3.833 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCc2cc(F)ccc21 613275226 MZAQQWOTQSFWQD-BLLLJJGKSA-N 275.367 3.717 30 20 CHED C[C@@H]1C[C@H](CNc2ccc(C#N)c(C(F)(F)F)c2)CCO1 356793963 LUSCEKIOZUVMMZ-GHMZBOCLSA-N 298.308 3.804 30 20 CHED COCC[C@@H]1CCC[C@H]1NCc1ccc(C#N)c(Cl)c1 619754553 CVXRAXNRMKNNKI-XJKSGUPXSA-N 292.810 3.506 30 20 CHED CCc1ccc(-c2noc(-c3cc(C#N)cs3)n2)cc1 531450067 GHLRPTUVCQZAID-UHFFFAOYSA-N 281.340 3.899 30 20 CHED Cc1ccccc1[C@H]([C@H](C)N[C@@H]1CCC[C@H](C#N)C1)N(C)C 618577570 MIURGYTXLTXYPZ-BMFAXAFESA-N 299.462 3.658 30 20 CHED CCc1nnc(CS[C@@H](C)c2ccc(C#N)cc2)s1 612019569 LTZQDHLRMPXUQH-JTQLQIEISA-N 289.429 3.967 30 20 CHED CSc1ccccc1NC(=O)N1CCC[C@@](C)(C#N)C1 612292347 RYPMMLCNJLIWHY-HNNXBMFYSA-N 289.404 3.566 30 20 CHED Cc1ccc2c(C)cc(N3CCC[C@@](C)(C#N)C3)nc2c1 613113968 JSXAEKOCMLNCJB-SFHVURJKSA-N 279.387 3.982 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1ccc(SCC)cc1 362369994 JIDGBCPZZHSNAS-VXGBXAGGSA-N 278.421 3.733 30 20 CHED C=CCC[C@H](C(=O)NC[C@@](C)(CC)OC)c1ccccc1 452739681 MIZABBIJNQGNIZ-FUHWJXTLSA-N 289.419 3.668 30 20 CHED CCc1nc(C)c(COc2ccc(C#N)cc2Cl)o1 450737916 MRNFLKCEXGTECV-UHFFFAOYSA-N 276.723 3.650 30 20 CHED C=CCCc1noc([C@H](C)Cc2ccc(C)cc2)n1 453237972 PSUUBNCOLHBGIX-CYBMUJFWSA-N 256.349 3.843 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 278950199 OKKPHAVHMKFLGP-WBVHZDCISA-N 283.415 3.749 30 20 CHED CCC(CC)N(CC)C(=O)Nc1cccc(CC#N)c1 455910974 VGAXYJVPKWCALK-UHFFFAOYSA-N 273.380 3.795 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)CCC[C@H]1C 540489111 OGDXIAVWKKSOHL-SOUVJXGZSA-N 266.429 3.951 30 20 CHED CCCCC[C@H](C)CC(=O)Nc1cc(C)n(CCC#N)n1 271156151 UWICPQUHSAYEJA-ZDUSSCGKSA-N 290.411 3.650 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C#N)cc(C(F)(F)F)c1 618699261 NBKITYISXRGXNX-UHFFFAOYSA-N 284.281 3.892 30 20 CHED N#Cc1ccc(N2CCC[C@]3(CCSC3)C2)cc1Cl 450898921 DCSUNVIMMXIKAQ-HNNXBMFYSA-N 292.835 3.935 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)C1(C#N)CCCCC1 452552491 UDHAZQHECIVCQD-AWEZNQCLSA-N 262.397 3.712 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 623746333 CASSFSFUGKQNIC-IINYFYTJSA-N 278.783 3.591 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OCCC)c(F)c1 627041691 OTCBBDYELZSDTF-LLVKDONJSA-N 280.343 3.701 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccccc1O 272926774 YYNZJQHWSGLVEW-CYBMUJFWSA-N 278.355 3.604 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1c(C2CC2)noc1C 459966470 PRVNVOWEXAYSMT-UHFFFAOYSA-N 296.370 3.689 30 20 CHED COc1cccc([C@@H]2C[C@H](C)CN2c2ccnc(C#N)c2)c1 367269057 GKTRWCFSNRLPFY-UGSOOPFHSA-N 293.370 3.549 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSc1ccc(F)c(F)c1 540532996 VKSKUQGCNBHANR-LLVKDONJSA-N 299.386 3.918 30 20 CHED C=CCOc1ccccc1C(=O)N1CCCC(F)(F)CC1 628637787 ZHYLLCWGPRYOEA-UHFFFAOYSA-N 295.329 3.513 30 20 CHED CCC[C@@H](NC(=O)c1ccc(CC#N)cc1)C1CCCC1 458336127 KHYCXDHETQTFNO-QGZVFWFLSA-N 284.403 3.841 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1cc(F)ccc1Cl 549959753 RMGAPRWGGYKWGG-AWEZNQCLSA-N 282.746 3.537 30 20 CHED C[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 462330494 DDASBLZDSFOMDH-RHSMWYFYSA-N 298.430 3.946 30 20 CHED CC1(C)CCCN(C(=O)CCCc2ccccc2)[C@H]1C#N 278024306 TXPUIUBDCLKYJQ-INIZCTEOSA-N 284.403 3.550 30 20 CHED C=CCCN(C)C(=O)NCC(C)(C)C1CCCCC1 466784347 ASJBXLFXRITJTO-UHFFFAOYSA-N 266.429 3.810 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OCCC)c(F)c1 629500717 RKFQAWLJRIQCHE-UHFFFAOYSA-N 265.328 3.765 30 20 CHED C=CCCC(C)(C)NC(=O)CCC(=O)c1ccc(C)cc1 620864185 USWASPRLTIKKEM-UHFFFAOYSA-N 287.403 3.819 30 20 CHED CC(C)(C#N)CCCCN1CC(C)(C)[C@H]1[C@H]1CCCO1 377648567 UZKOKWXREGJNGC-HUUCEWRRSA-N 278.440 3.596 30 20 CHED C=C(C)CCc1noc(CCC(=O)c2ccc(F)cc2)n1 285056268 HXMROSFXYOGYNL-UHFFFAOYSA-N 288.322 3.533 30 20 CHED Cc1cc2c(F)c(OCCC(C)(C)C#N)ccc2[nH]1 281881163 LKFGELKJHNPDDB-UHFFFAOYSA-N 260.312 3.934 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H]1C1CC1)c1ccccc1 372859501 VHXHMYDQOFRGNZ-PBHICJAKSA-N 269.388 3.747 30 20 CHED N#Cc1cc(N2CCC[C@@H](c3ccc(F)cc3)CC2)ccn1 553185182 SKOSKIRQCAPGMQ-CQSZACIVSA-N 295.361 3.866 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCCCCCC2)c1 285335981 GNZUIFXQHDJHFS-UHFFFAOYSA-N 276.767 3.618 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)C(C)C 557608447 WYADYJCGVUBRPH-OAHLLOKOSA-N 291.439 3.661 30 20 CHED CN(Cc1c(F)cccc1Cl)[C@H]1CC[C@@H](C#N)C1 284293112 ODWCFKXCSMOAAB-MNOVXSKESA-N 266.747 3.603 30 20 CHED C=C[C@H](C)NC(=O)N1CCC(=Cc2ccccc2F)CC1 464759352 XMXNVXIFWDFUSN-ZDUSSCGKSA-N 288.366 3.589 30 20 CHED C[C@H](OC(=O)CCCC#N)c1ccccc1Cl 291248789 NJIAKONBJHCHQL-JTQLQIEISA-N 251.713 3.638 30 20 CHED CC(C)[C@@H](C#N)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 701309318 RVRJCPKESCOQJB-DHCBQETCSA-N 297.185 3.671 30 20 CHED C#Cc1ccc(CN(C)[C@@H]2CC[C@H](SCC)C2)cc1 809592559 OYVOPFXHXVIZJI-SJORKVTESA-N 273.445 3.774 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cc(Cl)cc(C)c1O 808707335 MBOZZLCQBXRQIW-MNOVXSKESA-N 253.773 3.969 30 20 CHED C#CCCCCNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 293243574 WIRIYFVOINYVAC-QGZVFWFLSA-N 296.414 3.727 30 20 CHED C=CCSCCN[C@H]1CC(C)(C)c2cc(OC)ccc21 474034203 LKNCULZHMNVITI-INIZCTEOSA-N 291.460 3.926 30 20 CHED CC(C)(C)OC(=O)CSCC#Cc1ccc(Cl)cc1 472177785 IQSVEMZCSVHMAH-UHFFFAOYSA-N 296.819 3.766 30 20 CHED Cc1cccc([C@H]2CCCCN2CCO[C@H](C)C#N)c1C 801925153 GAQWJPQIPISLFF-CRAIPNDOSA-N 286.419 3.759 30 20 CHED N#Cc1cc(F)ccc1COc1cc(Cl)ccc1C#N 474362916 LNBNCZXYUZVDAA-UHFFFAOYSA-N 286.693 3.801 30 20 CHED N#Cc1ccccc1Oc1ccccc1C(=O)NC1CCC1 477658646 HJNYTHTZCBDYQI-UHFFFAOYSA-N 292.338 3.633 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](Cc2ccccc2)C1 292629896 CMDIXWQAFALIFP-INIZCTEOSA-N 271.404 3.680 30 20 CHED C=CCC(CC=C)c1nc([C@](C)(CC)OC)no1 290000576 CQAXHQQIMUJKCT-AWEZNQCLSA-N 250.342 3.577 30 20 CHED C=CCC[C@@H](NCc1ccc2cnn(C)c2c1)c1ccco1 563879134 ZJFATCITVQASKY-MRXNPFEDSA-N 295.386 3.963 30 20 CHED CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cccs1 293668375 UPUQHJCZYYBVHH-BZPMIXESSA-N 260.406 3.823 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](c3ccncc3)C2)CCCC1 565031773 VYHMHOZIHRMOET-KRWDZBQOSA-N 298.430 3.924 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H]1CCc2cc(Cl)ccc21 803786701 MDEBQCWKWJXUCG-DZGCQCFKSA-N 277.751 3.810 30 20 CHED C#CCOc1ccc(CN(C)C2CCC(F)(F)CC2)cc1 809782327 PDKYKSDHMPFRGQ-UHFFFAOYSA-N 293.357 3.708 30 20 CHED C#CCCc1noc([C@@H](C)c2ccc(C(F)(F)F)cc2)n1 809398193 SXBNAKWKAINJBJ-JTQLQIEISA-N 294.276 3.806 30 20 CHED C#Cc1ccc(CN(CC)C[C@H](O)c2ccc(C)cc2)cc1 809581128 JINCZLLPKARJAC-FQEVSTJZSA-N 293.410 3.532 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)c1cccc(C2CC2)c1 295767068 WLMVSVRDQTUZTJ-ZDUSSCGKSA-N 282.387 3.825 30 20 CHED C=CCCCCCCNC(=O)c1ncccc1CC 805221130 LIBKSDXKXLVADO-UHFFFAOYSA-N 260.381 3.510 30 20 CHED CC(F)(F)CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 296354365 NIYGRMDHYISOOH-UHFFFAOYSA-N 295.333 3.655 30 20 CHED C=CCC[C@H](CCC)Nc1cccc(CC(=O)O)c1 563393349 MWBRRZGBFWCRDO-AWEZNQCLSA-N 261.365 3.861 30 20 CHED CC(C)(CNC[C@H](C#N)CCC#N)c1ccccc1Cl 569034479 ASCGYHKVRXJQTN-ZDUSSCGKSA-N 289.810 3.651 30 20 CHED CC(C)CC[C@H](NC[C@@H](C#N)CCC#N)C(C)(C)C 562994810 ZTBRYSXXWFEVCW-CABCVRRESA-N 263.429 3.870 30 20 CHED Cc1sccc1C=NNc1oc(C(C)(C)C)nc1C#N 814821606 CFWLQEKAEWXABY-UHFFFAOYSA-N 288.376 3.660 30 20 CHED C#Cc1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)nc1 815700882 WZDQVNXUHLEAQK-UHFFFAOYSA-N 299.692 3.572 30 20 CHED C=CCC(C)(C)c1noc(CSCCCC)n1 815707172 NUCQRDVYFWFIFA-UHFFFAOYSA-N 254.399 3.957 30 20 CHED C=CCNN=C(C)c1sc(Cc2ccccc2)nc1C 814928131 XQMVIWSTCQYVJT-UHFFFAOYSA-N 285.416 3.542 30 20 CHED CC(=NOCC1CC1)c1cc(Cl)cc(C)c1O 814241757 NRWFVEGQZOOETD-UHFFFAOYSA-N 253.729 3.505 30 20 CHED C=CCC(F)(F)C(=O)OCc1coc(-c2ccccc2)n1 815311313 GENYVUGXRRQAGY-UHFFFAOYSA-N 293.269 3.596 30 20 CHED Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)c2c1CCC2 562514617 TVZSHLKPDVPVSR-UHFFFAOYSA-N 290.366 3.632 30 20 CHED C=CCCCCCCCNC(=O)C[C@H]1CCCCO1 810767318 SFNDNKWKDVDLBF-OAHLLOKOSA-N 267.413 3.588 30 20 CHED CCC1(CC)[C@H](OC)C[C@H]1N(C)CCCC(C)(C)C#N 485755730 VYCCAGAOIIAOKC-HUUCEWRRSA-N 280.456 3.842 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 812004147 OFXCIWIJMFNQNC-GOEBONIOSA-N 286.419 3.827 30 20 CHED c1cc2c3c(c1)C(=NNC1CCCCC1)CC[C@H]3CN2 814910114 QYNWMJFMQKZEMN-LBPRGKRZSA-N 269.392 3.616 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(F)c1C#N)C2 811691381 LXYXJXVTWYXERJ-ZSOIEALJSA-N 277.298 3.828 30 20 CHED COc1ccc([C@H](C)C(C)=NOC/C=C/Cl)cc1OC 811668427 FZVNGTZIZBDJTQ-GCMPDWGNSA-N 297.782 3.952 30 20 CHED C=CCC(F)(F)C(=O)N1CCCCC[C@@H]1c1ccncc1 815021759 TVKWRQHQEGCIBT-CQSZACIVSA-N 294.345 3.737 30 20 CHED CC#CCN(C)C(=O)c1coc2ccc(C(C)C)cc12 573520059 OSUMYYHRCKAXCR-UHFFFAOYSA-N 269.344 3.652 30 20 CHED Cc1cscc1CNC(=O)Nc1cccc(C#N)c1C 488904936 CUUNDDUJAAPTSC-UHFFFAOYSA-N 285.372 3.558 30 20 CHED C#C[C@H](NC(=O)C1(F)CCCCC1)c1ccc(Cl)cc1 811950963 SNISIDCWJMBXRD-AWEZNQCLSA-N 293.769 3.803 30 20 CHED C#C[C@H](NC(=O)C1(CC)CCC1)c1ccc(Cl)cc1 811947607 JNPXRXHYBWIXSX-AWEZNQCLSA-N 275.779 3.711 30 20 CHED CCC1(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)CCC1 813213091 IPYNHKLFPZZHLO-NSHDSACASA-N 296.292 3.857 30 20 CHED CSCC1CCC(=NN[C@@H](C)c2ccncc2)CC1 819819294 WHLNRRSBDMIFJK-UEWDXFNNSA-N 277.437 3.641 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C(\C)C2CC2)c1 727330619 OIQCHTVHMKQGKM-UKTHLTGXSA-N 271.360 3.936 30 20 CHED C=CCc1cc(CNC2(C3CCC3)CC2)cc(OC)c1O 651959443 MMZWWRQEVNLULE-UHFFFAOYSA-N 287.403 3.552 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@@H]1[C@@H](C)CCC 574495162 YVZSXBUZMQSXMS-LSDHHAIUSA-N 290.455 3.822 30 20 CHED C1=CC[C@H](C=NNc2nnc(-c3ccccc3)s2)CC1 814949168 VRGXVIFBPOBFOH-LBPRGKRZSA-N 284.388 3.959 30 20 CHED Cc1ccccc1CC(C)(C)NC(=O)c1ccc(C#N)s1 487309799 OVJRHVUAHSSTND-UHFFFAOYSA-N 298.411 3.679 30 20 CHED CCCc1nc(CON=Cc2cccc(F)c2)cs1 725791691 RJPCCVOUZREFOK-UHFFFAOYSA-N 278.352 3.785 30 20 CHED C=CCCCCOC(=O)c1ccnc2ccccc12 811013503 XTKQKIHTYVWLNM-UHFFFAOYSA-N 255.317 3.748 30 20 CHED FC(F)(F)COc1ccc(C=NOCCC2CC2)cc1 814245017 HKWRYFXAJMUOBP-UHFFFAOYSA-N 287.281 3.778 30 20 CHED C=CCn1c(CC2CCCC2)nnc1N1CCC[C@H]1CC 571484334 BLZPZJQELSSRLO-OAHLLOKOSA-N 288.439 3.576 30 20 CHED CCOc1cccc(C=Nc2cc(F)c(F)cc2F)c1O 729150315 UNBLJYFSPQMYFA-UHFFFAOYSA-N 295.260 3.959 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 729150456 KKBXNASVRDHOKE-UKTHLTGXSA-N 279.295 3.726 30 20 CHED CC[C@@H]1CCC[C@@H]1CNCc1ccc(O[C@@H](C)C#N)cc1 824655250 VSTRAOHVTLNBAD-USXIJHARSA-N 286.419 3.893 30 20 CHED CCN(CCc1ccncc1C)[C@H](C)c1ccc(C#N)cc1 573799077 WNXUILFVBPGHOI-MRXNPFEDSA-N 293.414 3.887 30 20 CHED CCCCC[C@@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 822394252 LOSGPDYBJSKTLQ-CJNGLKHVSA-N 262.397 3.545 30 20 CHED Cc1ccc(C)c(CC(=O)OCc2cc(C#N)ccc2F)c1 728113401 JTCMIAIKVCODJK-UHFFFAOYSA-N 297.329 3.600 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1cc(C#N)ccc1F 828225405 YXJXYUBIOPOHPO-LLVKDONJSA-N 276.355 3.642 30 20 CHED C#Cc1cccc(NC(=S)NN=C2CCCCCC2)c1 727259900 OQDBCYPHJIARGN-UHFFFAOYSA-N 285.416 3.665 30 20 CHED C#Cc1ccc(C(=O)Oc2cc(C)c(Cl)c(C)c2)cn1 728813191 XFZTUOJPPOPKMH-UHFFFAOYSA-N 285.730 3.552 30 20 CHED C=CCN(C(=O)C[C@H](CC)c1ccccc1)C(C)C 728810516 SVNUMSZMEWURIR-HNNXBMFYSA-N 259.393 3.993 30 20 CHED Cc1cc(-c2noc(CCCCCC#N)n2)ccc1F 588320697 CSCQUVWPIWFXMV-UHFFFAOYSA-N 273.311 3.811 30 20 CHED C#Cc1cccc(N(C(=O)CSC(C)C)C(C)C)c1 728246852 LNOJVMDKPQLRSH-UHFFFAOYSA-N 275.417 3.551 30 20 CHED N#CC1(CCCCn2cc(-c3ccsc3)nn2)CCC1 900615069 AGIKSNUAUBXWPL-UHFFFAOYSA-N 286.404 3.871 30 20 CHED C=CCC1(NCCCCCn2cccn2)CCCC1 661848211 JHTDCPSZFKLIHZ-UHFFFAOYSA-N 261.413 3.532 30 20 CHED C=C1CCC(C(=O)Nc2cccc([C@H](C)C(=O)O)c2)CC1 909831676 QHBKKSFOOILDAU-LBPRGKRZSA-N 287.359 3.560 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCOc2ccccc2[C@H]1C 661123807 SCKRWGYEBSEHDC-KGLIPLIRSA-N 288.391 3.506 30 20 CHED CC1(C)CCCN(CC[C@H]2CC2(Cl)Cl)[C@@H]1C#N 822971867 CQXXAKMIMKXAPT-WDEREUQCSA-N 275.223 3.584 30 20 CHED C=CCC1(C(=O)Nc2n[nH]c(C3CC3)c2C)CCCC1 825637078 NSYNSLGGYSBHEM-UHFFFAOYSA-N 273.380 3.671 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCCC1CC1 665667197 ZKSKZDLRMDNABN-QGZVFWFLSA-N 271.404 3.870 30 20 CHED COCCC(=NNc1ccc(F)cc1)c1ccc(F)cc1 734744194 FOSAZZHXBOJQDO-UHFFFAOYSA-N 290.313 3.818 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cccc(Cl)c1OC(C)C 491516101 QYHOKGANWNKFDJ-LLVKDONJSA-N 294.782 3.613 30 20 CHED Cc1ccc(-c2ccc(C=NNc3cc(C)ncn3)o2)cc1 731934741 GMLRUAMUFJQYCM-UHFFFAOYSA-N 292.342 3.799 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)O 901692196 JTVUTJYCNNSTAI-WCQYABFASA-N 273.332 3.503 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccccc2OCC#N)[C@H](C)C1 736033283 KSBOLTMMSUJUEG-NFAWXSAZSA-N 287.359 3.570 30 20 CHED C=CCC1(N[C@@H](CC)C[C@@H](C)CC)CCOCC1 668551570 QVIQKXGODYFYCK-GJZGRUSLSA-N 253.430 3.916 30 20 CHED C=CC(C)(C)c1nc(-c2ccccc2Br)no1 904958544 BWGGJUSZRSZATN-UHFFFAOYSA-N 293.164 3.963 30 20 CHED Cc1cc(NN=Cc2cc(Cl)cc(Cl)c2)ncn1 731935823 SUMMDNJTMXGUMU-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C=CCN(C)C(=O)CC1(CSc2ccccc2)CC1 490928974 UVSNORQHJLSKGI-UHFFFAOYSA-N 275.417 3.593 30 20 CHED CC[C@@H](NCc1ccoc1C)c1cccc(C#N)c1 902772439 RIHLGTZKKAQELQ-MRXNPFEDSA-N 254.333 3.701 30 20 CHED C=CC[C@@H](NC(=O)N1CCC[C@H](CC)C1)c1ccncc1 734680941 WTACFOPVRDEZMC-GOEBONIOSA-N 287.407 3.530 30 20 CHED C=CCCCCCN1CC(C)(C)[C@H]1[C@@H]1CCCO1 581635975 BWWVQIFLEASWSZ-LSDHHAIUSA-N 251.414 3.622 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1(F)CCCC1 839890554 JKIJDXZBTWQNQK-HNNXBMFYSA-N 275.367 3.572 30 20 CHED CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(C)cs1 835034319 ADYPIIQIMNPTSK-NWDGAFQWSA-N 264.394 3.700 30 20 CHED C[C@@H](CC(=O)OCCCCC#N)c1cccc(F)c1 734904848 OOMQLMOECYRSQJ-LBPRGKRZSA-N 263.312 3.556 30 20 CHED N#Cc1cccc(SCc2ccsc2C(=O)O)c1 833074985 HZTOJSBCWMTENP-UHFFFAOYSA-N 275.354 3.610 30 20 CHED Cc1cc(C(=O)/C=C/c2nc(C)c(C)[nH]2)cc(C)c1F 901480386 MUUJGJBSJSUTGS-AATRIKPKSA-N 272.323 3.679 30 20 CHED N#CCOc1ccc(CN2CCSc3ccccc32)cc1 731210216 FHQOJTPYKNVGSV-UHFFFAOYSA-N 296.395 3.701 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc3cc(F)ccc3o2)C1 839056600 DWNMFYSMUWZMEX-GXFFZTMASA-N 287.290 3.811 30 20 CHED CC(C)c1ncsc1NC(=O)CCCCCC#N 836982188 YGJLBNBJQSIIDG-UHFFFAOYSA-N 265.382 3.679 30 20 CHED C#CCC1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCCCC1 839451431 YLQAVZWKTLADQD-LSDHHAIUSA-N 273.376 3.586 30 20 CHED CC(C)(CCC#N)COC(=O)C[C@@]1(C)CC1(Cl)Cl 835387580 WJLPKRSLNTXJDT-LBPRGKRZSA-N 292.206 3.834 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCc2ccc(F)cc2F)C1 839054858 MCGOXYDEHKMNJX-RISCZKNCSA-N 293.313 3.523 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(-c3ccccc3)on2)C1 839041882 CBDKBVMIWOHUOG-GXTWGEPZSA-N 296.326 3.581 30 20 CHED Cc1n[nH]c(C)c1/C=C1\CSc2ccc(F)cc2C1=O 915985998 RTSKLWKCZSMRLX-BJMVGYQFSA-N 288.347 3.538 30 20 CHED C#CCCCCCCOC(=O)c1csc(C(C)=O)c1 835713766 VJHODHYVJZLXJI-UHFFFAOYSA-N 278.373 3.691 30 20 CHED C=C[C@@H](C)NC(=O)Nc1c(C)cc(C)cc1Cl 674974579 LQZLMTSXSSVNOF-SNVBAGLBSA-N 252.745 3.653 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccccc2C(F)(F)F)C1 839054064 GSHPJIPJNAECID-MNOVXSKESA-N 297.276 3.945 30 20 CHED Cc1noc(C)c1CCSCCc1ccc(C#N)cc1 596384509 NRNKLVXIUPMPRM-UHFFFAOYSA-N 286.400 3.682 30 20 CHED N#CCC[C@H](C#N)CNCc1cc(Cl)cc(Cl)c1 594719628 CKBHRNBWRXKACE-SNVBAGLBSA-N 282.174 3.527 30 20 CHED C=CCN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)C(C)C 836697718 NOVCTSSYLPYGGY-OAHLLOKOSA-N 288.391 3.619 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)n1 835201096 SJWOJIFLYUEWED-WUHRBBMRSA-N 288.416 3.879 30 20 CHED C=CCN(C(=O)c1cc(F)c(F)cc1Cl)C(C)C 914683049 CNGQPOKBRXJRTD-UHFFFAOYSA-N 273.710 3.655 30 20 CHED CCOc1ccc(OC)cc1NCCc1ccc(C#N)cc1 594704706 DRZQGTAVYGNDJM-UHFFFAOYSA-N 296.370 3.620 30 20 CHED N#CC[C@@H](CC(=O)N1CC[C@@H](C2CCC2)C1)c1ccccc1 591125745 OYWLKHDPBZWOFT-ZWKOTPCHSA-N 296.414 3.723 30 20 CHED C=C(C)COC(=O)CCOc1ccc(Cl)c(Cl)c1 914811947 FNKPIVWPGQESTF-UHFFFAOYSA-N 289.158 3.882 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C2[C@H]3CCCCCC[C@H]23)n1 598858259 ZRMGWGBEYZALQF-KBPBESRZSA-N 297.402 3.725 30 20 CHED N#CCC[C@H](C#N)CNc1ccc(Cc2ccncc2)cc1 591773644 XKGXODDFIVVWNB-QGZVFWFLSA-N 290.370 3.528 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C/c2cccc(O)c2O)C1 749007566 JGARPOQEJJTIQR-VYBIZCNCSA-N 279.405 3.581 30 20 CHED COc1cccc(C=Nc2ccc(N(C)C)cc2C)c1O 915978708 INLFVBUEQXNSML-UHFFFAOYSA-N 284.359 3.526 30 20 CHED C#CCOc1ccccc1CNC[C@H](C)Cc1cccs1 742375749 UZWUMKKVZGLGHQ-OAHLLOKOSA-N 299.439 3.729 30 20 CHED CCCCCCCCNc1cc(C(=O)NC)ccc1OC 749261103 FVXTXYNOPVCVSJ-UHFFFAOYSA-N 292.423 3.827 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)[C@@H]1C[C@H]2C=C[C@H]1CC2 842535061 BOIVEPRXXSNWBL-RHYQMDGZSA-N 260.303 3.505 30 20 CHED CC(C)[C@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@H]1C(C)C 597726160 CFJIWZSYVKBPFM-WBVHZDCISA-N 290.451 3.990 30 20 CHED CCCC[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)C(C)C 598657894 HHAHFKVZCCOSRV-KRWDZBQOSA-N 286.419 3.979 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 593556966 PGIZDVBHBRRGQX-NWDGAFQWSA-N 293.436 3.644 30 20 CHED Cc1cccc2c1CCN2CCCOc1ccc(C#N)cc1 746387598 MWNQZAIKEOOSIK-UHFFFAOYSA-N 292.382 3.698 30 20 CHED C#CCN(CC#CC)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 742003040 JVSGLGNPDJFMLJ-KRWDZBQOSA-N 295.426 3.789 30 20 CHED C[C@H](CSc1ccccc1)C(=O)OCC1(CC#N)CC1 744276489 JAVLYASZSDYYKB-CYBMUJFWSA-N 289.400 3.652 30 20 CHED C[C@@H](OC(=O)C(C)(C)C#N)c1ccc(Br)cc1 743466747 KVIPSIQMUKFFCA-SECBINFHSA-N 296.164 3.603 30 20 CHED CCCCCCCN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 740875898 KZYBEQZPBFONKA-KZNAEPCWSA-N 296.499 3.530 30 20 CHED C#CC1CCN(C(=O)c2coc3ccc(Cl)cc23)CC1 844625298 YJNQHORTQOPSSN-UHFFFAOYSA-N 287.746 3.572 30 20 CHED C#CCSCCNCc1cc(-c2ccccc2)ccc1O 740014557 MILBQCINKDEOMT-UHFFFAOYSA-N 297.423 3.515 30 20 CHED C[C@@H](O)CN(C)N=C1CCC[C@H](c2cccc(Cl)c2)C1 841648468 KJZCHAUWWYVHSU-OCCSQVGLSA-N 294.826 3.666 30 20 CHED CCc1nc(S[C@H](C)CCC#N)c2ccccc2n1 594466770 MNWFBOZNUOYJSF-LLVKDONJSA-N 271.389 3.977 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(C3CC3)cc2)C1 597259115 XENHRRILBHCWCU-UGSOOPFHSA-N 282.387 3.766 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCC(C)(C)c1ccccc1 684767748 RBYWINVEURRKLK-DOTOQJQBSA-N 273.420 3.535 30 20 CHED C=CCCSCCNC(=O)[C@H](C)Cc1ccc(C)cc1 597969397 ZCLJKNVFUNFONI-OAHLLOKOSA-N 291.460 3.599 30 20 CHED CCCCCCCCC(=O)NCc1ccc([N+](=O)[O-])cc1 917792629 CUKYGMGIHNDMEV-UHFFFAOYSA-N 292.379 3.962 30 20 CHED CC(C)N(Cc1cccc(F)c1)C(=O)C#Cc1ccccc1 747365192 HPDXICMVBIGCBD-UHFFFAOYSA-N 295.357 3.614 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](/N=C/c2ccccc2O)C1(C)C 840714025 WTPDXSOQLWMGSF-WCOBSMKMSA-N 275.392 3.793 30 20 CHED C=C(C)CCOC(=O)c1ccc(CN2CCCCC2)cc1 744305224 UBNMLYMTNVCJHR-UHFFFAOYSA-N 287.403 3.796 30 20 CHED C=C(C)CCOC(=O)c1cnn(-c2ccccc2Cl)c1 744304544 XBORADWXQVZDIY-UHFFFAOYSA-N 290.750 3.649 30 20 CHED C=C(C)CCOC(=O)CCc1cccc(Cl)c1 744305173 RACSRFKZBSCXSS-UHFFFAOYSA-N 252.741 3.782 30 20 CHED C[C@@H](NN=Cc1ccccc1OC(F)F)c1ccccc1 920386393 ZEOWGJBMFZOCFB-GFCCVEGCSA-N 290.313 3.973 30 20 CHED C[C@H](c1cccs1)[S@@](=O)CCCC(C)(C)C#N 747448396 NQETVKIRNZEMCB-DIFFPNOSSA-N 269.435 3.888 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC)C1CCCCC1 682416819 XVHLALDMSBCOMS-CQSZACIVSA-N 252.402 3.563 30 20 CHED CC#CCOC(=O)CCCc1cc(Cl)sc1Cl 756510791 DGQMKDGWAZKBMX-UHFFFAOYSA-N 291.199 3.944 30 20 CHED C(=NNc1cnnc2ccccc12)c1cccc2[nH]ccc12 755733100 DBBYVUMOOSFMSR-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C=CCOc1cccc(NC(=O)NCCC2CCC2)c1 755799507 NHRLKMLSSOMGHN-UHFFFAOYSA-N 274.364 3.563 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCc2ccccc21 685543800 HSWYYZMCLSDDFY-CYBMUJFWSA-N 282.391 3.672 30 20 CHED C[C@H](C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 751984219 DPSFPFBEYRHYKG-LBPRGKRZSA-N 283.302 3.544 30 20 CHED C#CC[C@@H](NC(=O)N[C@H](C)c1ccccc1)c1ccccc1 757003511 PGDVOEZZTXTRRG-CRAIPNDOSA-N 292.382 3.811 30 20 CHED Cc1n[nH]c(C)c1/C=C1/COc2c(cccc2C(C)C)C1=O 753901071 UZKHEDUNBDMBST-JYRVWZFOSA-N 296.370 3.809 30 20 CHED C=C(Br)CSCc1ccc([N+](=O)[O-])cc1 753944239 UOUDLACPGBTIND-UHFFFAOYSA-N 288.166 3.737 30 20 CHED Cc1ccnc(NN=Cc2cc(Br)cs2)c1 755900688 OFDBMKISDLOPLL-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C=C(Cl)CSCC(=O)N(c1ccccc1)C(C)C 853782644 IQVQWPILJUHXPR-UHFFFAOYSA-N 283.824 3.914 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3ccc(C)cc32)CCC1 682894256 VYCAVGMSHYBNLE-MRXNPFEDSA-N 269.388 3.845 30 20 CHED C=CCCNCc1c(C)nn(Cc2ccccc2)c1Cl 850354677 UGBHSXNCEXAROG-UHFFFAOYSA-N 289.810 3.559 30 20 CHED C#CC[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 757595186 FFRDWQDDPWMGBC-INIZCTEOSA-N 289.334 3.927 30 20 CHED Cc1ccc(NN=C2CCCC23CCOCC3)cc1F 853438892 RQHGJOPKFVTNLB-UHFFFAOYSA-N 276.355 3.883 30 20 CHED CCc1ccc(C=NOCc2cccc(OC)c2)cc1 853978309 ZDVFYDKKBCFPDJ-UHFFFAOYSA-N 269.344 3.808 30 20 CHED N#Cc1ccc(C(=O)OC[C@H]2CCCc3ccccc32)s1 750395168 MZHQIBYBWCTYBF-CYBMUJFWSA-N 297.379 3.897 30 20 CHED C=CC1CCN(C(=O)c2cc(-c3ccccc3)ccn2)CC1 932506106 PIUMAVXHSWPTHV-UHFFFAOYSA-N 292.382 3.787 30 20 CHED C=CCCN[C@H](C)c1cc(C)c(OC)c(Cl)c1 850501703 FWJVFLZXPLNCHN-LLVKDONJSA-N 253.773 3.884 30 20 CHED COCCCCCON=C(c1ccccc1)C(F)(F)F 751956207 PEYBAESSEOAGFO-UHFFFAOYSA-N 289.297 3.786 30 20 CHED C#CCCOc1ccc(CNCC(C)(C)CC)cc1 758478013 CQYREEQRRWQPGH-UHFFFAOYSA-N 259.393 3.615 30 20 CHED C#CCCN(Cc1cccs1)c1ccc(OC)cc1 764233121 MJXJRYSKIHMTMW-UHFFFAOYSA-N 271.385 3.787 30 20 CHED Cn1cc(NN=Cc2cc(-c3ccccc3)cs2)cn1 761882127 YAPPZXFELRFDFN-UHFFFAOYSA-N 282.372 3.595 30 20 CHED C#CCOc1ccccc1-c1noc(/C=C(/C)C2CC2)n1 761990327 UGLMVKRUMBMQKS-QXMHVHEDSA-N 280.327 3.562 30 20 CHED C[C@H]1CC(C)(C)CC1=NNCCc1ccccc1F 766026158 TYLFNZFGJKSRSW-LBPRGKRZSA-N 262.372 3.770 30 20 CHED CCCCCCCC(=O)N1CCc2c(O)cccc2C1 863308444 VCEGYQVVLSWQCD-UHFFFAOYSA-N 275.392 3.637 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccccc2C(=O)O)C1 768353920 CEVBGWJMHCYNBF-RYUDHWBXSA-N 260.337 3.609 30 20 CHED C#C[C@H](C)OC(=O)[C@H](CC)c1ccc(Br)cc1 860562023 XDETXDCRFQIYNF-GXFFZTMASA-N 295.176 3.508 30 20 CHED CC[C@H](CC1CCCC1)C(=O)OCC1(C#N)CCC1 768078300 LCZFDEOOEWHUIO-CQSZACIVSA-N 263.381 3.830 30 20 CHED C#CCN(C(=O)N[C@@H](C)c1cccc2ccccc12)C1CC1 764672921 UELROROMFAGSQA-AWEZNQCLSA-N 292.382 3.708 30 20 CHED C=CCCC(=O)COC(=O)c1oc2ccc(F)cc2c1C 761371810 YMTUIVZWOCZXLP-UHFFFAOYSA-N 290.290 3.572 30 20 CHED C#C[C@@H](C)N(C)C(=O)/C(C)=C/c1c(Cl)cccc1Cl 767244335 UXIXNTJMUVGCAZ-PBQZMEPESA-N 296.197 3.877 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(Cl)c(F)c2)c(F)c1 766520242 GJXNFQFLFDHWTE-UHFFFAOYSA-N 293.656 3.709 30 20 CHED CC(C)c1ccsc1C(=O)OCC1(C#N)CCC1 768086644 ZLZGECAGYJWPIP-UHFFFAOYSA-N 263.362 3.722 30 20 CHED COc1cc(NN=Cc2cnc(C3CC3)o2)ccc1Cl 863109403 NIHSNSIHLDNKJG-UHFFFAOYSA-N 291.738 3.660 30 20 CHED FC(F)CNN=C1CCC(C2CCCCC2)CC1 766453347 CQLKFGVCKFLEEZ-UHFFFAOYSA-N 258.356 3.968 30 20 CHED C#Cc1cccc(N(CC)CCc2csc(C)n2)c1 767426347 PCKFKKTUEFDGNG-UHFFFAOYSA-N 270.401 3.502 30 20 CHED C#CCCc1noc(/C=C/c2cnc(C(C)(C)C)s2)n1 762010138 DVPZUPNSOYUTGX-CMDGGOBGSA-N 287.388 3.560 30 20 CHED CCC1(CC)C(=NNc2cccc(C#N)c2)C[C@H]1OC 762603091 IWOWRRYNFJFYDN-OAHLLOKOSA-N 271.364 3.551 30 20 CHED C#CCCc1noc(-c2cccc(-c3ccoc3)c2)n1 762011428 JOODLLMRQBLMGS-UHFFFAOYSA-N 264.284 3.562 30 20 CHED CC(C)COc1ccc(C=NOCC(F)(F)F)cc1 764846280 GCECOILKBIHHDL-UHFFFAOYSA-N 275.270 3.634 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 15539509 JPKSGYCAGLAIIG-UHFFFAOYSA-N 264.328 3.934 30 20 CHED CCCOc1c(Cl)cc(C=NOC)cc1OCC 767490694 IVMQANKCUVCISD-UHFFFAOYSA-N 271.744 3.508 30 20 CHED CCN1CCC(=NNc2c(F)cccc2Cl)[C@H](C)C1 769827377 VNCJYFGGJGFXQG-SNVBAGLBSA-N 283.778 3.609 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1c(C)cc(C)cc1C 877904480 RBCQKKNJJXFZQF-MRXNPFEDSA-N 258.365 3.535 30 20 CHED Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC1(C#N)CCC1 1119605843 BFGJRQMBZKXSGZ-OLZOCXBDSA-N 270.376 3.532 30 20 CHED C=C(CC)COC(=O)c1cc(OCc2ccccc2)ccn1 773521630 XRKAPUCNGANQIF-UHFFFAOYSA-N 297.354 3.784 30 20 CHED COC(=O)c1ccccc1NN=Cc1ccc([C@H]2C[C@@H]2C)o1 776189769 SGMBRUDPTTYVBV-FZMZJTMJSA-N 298.342 3.636 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-n2ccnc2)c(F)c1 878345918 TZIICSBPEGTXFZ-UHFFFAOYSA-N 287.338 3.552 30 20 CHED Cc1cc(CNc2ccccc2O[C@H](C)C#N)c(C)o1 779988211 BDBXRVPUZIKGOC-GFCCVEGCSA-N 270.332 3.799 30 20 CHED C[C@H](OC(=O)CCCC(F)(F)F)c1ccc(C#N)cc1 770746764 OIAKDRJDYUZBMB-JTQLQIEISA-N 285.265 3.895 30 20 CHED C=C(C)CCN(Cc1ccc(N(C)C)cc1)C(C)C 775571454 HJSWUMLJBNLGCW-UHFFFAOYSA-N 260.425 3.929 30 20 CHED C#CCCCCCC(=O)N(Cc1ccco1)c1ccccn1 779841904 IJSNLEHGBVOTDQ-UHFFFAOYSA-N 296.370 3.792 30 20 CHED C#CCCCCCC(=O)NCCCc1ccc(C)cc1C 779756145 WXWLPCVBYWFPRN-UHFFFAOYSA-N 285.431 3.936 30 20 CHED C=CC(C)(C)CC(=O)Nc1n[nH]cc1-c1ccccc1 889868699 QBQVQINZOPUIRM-UHFFFAOYSA-N 269.348 3.618 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cccc(C(=O)O)c1 774114266 HPWWPPUDOCEYPC-KTKRTIGZSA-N 266.296 3.589 30 20 CHED C=CCCC[C@H](C)NC(=O)c1oc(C2CC2)nc1C(F)F 1121089023 ZHSOLLJKMGFYIV-VIFPVBQESA-N 298.333 3.964 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)c1ccccc1F 773123496 DJDTZXCSVFPVPR-UHFFFAOYSA-N 288.705 3.688 30 20 CHED C=CCC1(O)CCN(Cc2ccc3ccccc3c2)CC1 886755869 VDSJNTXHHOTWAZ-UHFFFAOYSA-N 281.399 3.743 30 20 CHED Clc1ccc(NN=Cc2cscc2Cl)cn1 771878473 GRJQAASSRHETRG-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1ccccn1 773193487 QMORBZBMZWOWKU-UHFFFAOYSA-N 259.740 3.766 30 20 CHED CC(C)(C)OC(=O)C1CCC(=NNC2CCCCC2)CC1 786039320 AMVCBSGTNVOPJG-UHFFFAOYSA-N 294.439 3.797 30 20 CHED CC(C)c1ccc(C=NN2Cc3ccccc3C2=O)cc1 781594596 BPLXGPCAMUBBBE-UHFFFAOYSA-N 278.355 3.800 30 20 CHED C#C[C@H](OC(=O)[C@@H](C)OC1CCCCC1)c1ccccc1 1122972120 QWLCLONLENJGIZ-PBHICJAKSA-N 286.371 3.642 30 20 CHED CC(C)(NCc1cc(C#N)cs1)c1ccc(F)cc1F 886349914 DGFIGONSGAGHSQ-UHFFFAOYSA-N 292.354 3.923 30 20 CHED COc1ccc(NN=C(C)c2ccc(Cl)s2)nc1 780271765 XJCWBVMVTRIPNA-UHFFFAOYSA-N 281.768 3.641 30 20 CHED C=C(CNCc1c(C)nn(C(C)C)c1C)c1ccccc1 892712121 OVQBPADOJOXHTE-UHFFFAOYSA-N 283.419 3.884 30 20 CHED Cc1ccc2[nH]cc(C=NNC3CCCCC3)c2c1 786043602 OOWQMURCLLUGNP-UHFFFAOYSA-N 255.365 3.733 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2c(C)oc(C)c2C)c1 786082080 MCDVVPGSQHVFDY-UHFFFAOYSA-N 281.355 3.853 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](CC1CCC1)c1ccccc1 788037938 KPJYATOQXOUDEO-RHSMWYFYSA-N 284.403 3.581 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1cc(C)nn1C 788976424 XXDDRHBFUJZWJC-UHFFFAOYSA-N 297.189 3.871 30 20 CHED CN(CCC#N)c1ccc(CNCC2CC(C)(C)C2)cc1 780589280 GUBATDIOWQBORN-UHFFFAOYSA-N 285.435 3.562 30 20 CHED C#CCN(CC)C(=O)Nc1cccnc1-c1ccc(C)s1 782912853 PBRRXSNKVZNSQC-UHFFFAOYSA-N 299.399 3.606 30 20 CHED C=C1CC(c2noc(CCSCc3ccccc3)n2)C1 896877598 NSQMYUVQXTZSMY-UHFFFAOYSA-N 286.400 3.979 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1scnc1C1CC1 785514345 OGTXPZQNGGTPQF-LLVKDONJSA-N 299.399 3.923 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)c(F)c1 1132690368 XVOKEHOYVZTBPJ-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C#CCCCCCC(=O)NCc1cccc(-c2cnco2)c1 898156391 SJVSITHFKLYITD-UHFFFAOYSA-N 296.370 3.542 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1CCOC2(CCOCC2)C1 793546982 HIJSMHZKKBOOQV-IAGOWNOFSA-N 295.467 3.829 30 20 CHED CCn1cc(CN(C)CC(C)(C)C#N)c(-c2ccccc2)n1 894857348 FPCUWCGDJUHDCB-UHFFFAOYSA-N 296.418 3.552 30 20 CHED CC[C@H](C)CCCCC(=O)N(CC#N)c1ccccn1 892472307 ZTMSRQKKODJPGR-AWEZNQCLSA-N 273.380 3.545 30 20 CHED C=CCCO[C@H](C)c1nc(C2(CCOC)CCCC2)no1 896633684 JZRMBGCMLWKQCA-CYBMUJFWSA-N 294.395 3.572 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccnc(OC)c1 793523506 IQYUHSNYDNMVKH-CQSZACIVSA-N 262.397 3.705 30 20 CHED CC(C)C[C@H]1CCCC(=NOC[C@H]2CCOC2)C1 794536806 ZCVYLPWQVZMCGX-KGLIPLIRSA-N 253.386 3.632 30 20 CHED CCCCCCCNCc1ccccc1NC(C)=O 703776063 DVEPLUSQTLTIDQ-UHFFFAOYSA-N 262.397 3.705 30 20 CHED COc1cc(C=NNc2ccccc2Cl)ccc1C#N 799464787 LYQKLWQDBBFVFG-UHFFFAOYSA-N 285.734 3.666 30 20 CHED C#C[C@@H](CCC)NC(=O)Cc1coc2c(C)c(C)ccc12 791202618 SEWDHCZXGSTGKP-HNNXBMFYSA-N 283.371 3.510 30 20 CHED CC[C@@H](C)CON=C(C)c1c(C)nn(C(C)C)c1C 793143877 AUAMWQCIDJQKRZ-LLVKDONJSA-N 265.401 3.868 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC(C2CC2)CC1 589872786 DOUVAANJVYJLFO-UHFFFAOYSA-N 260.768 3.838 30 20 CHED C=CCN(CCOC)C(=S)Nc1cccc(C(C)C)c1 790344371 QNNQYJWORGBFPW-UHFFFAOYSA-N 292.448 3.641 30 20 CHED Oc1ccc(F)c(C=NNc2cccc(Cl)c2)c1F 794454231 DBOFNJMWUIMOOG-UHFFFAOYSA-N 282.677 3.770 30 20 CHED C=CCCCCC[C@H](C)NCc1cccnc1OC 793524112 JYMNYKAIFRNEEG-AWEZNQCLSA-N 262.397 3.705 30 20 CHED C=CCCCCC[C@@H](C)NCCC1CCN(C)CC1 793526722 NPPRPULOEHGXMC-MRXNPFEDSA-N 266.473 3.833 30 20 CHED FCCCCON=Cc1ccccc1C(F)(F)F 795201726 VPGGVDJAWVWLSC-UHFFFAOYSA-N 263.234 3.806 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)cc1C#N)c1ccccc1 695723457 GQAFGDLUDWMNRK-LLVKDONJSA-N 284.746 3.954 30 20 CHED CC[C@H](NCc1ccc(OC)c(C#N)c1)c1cccs1 87823985 BFJAFAGUBPTHOT-AWEZNQCLSA-N 286.400 3.869 30 20 CHED C=C(C)COCCN[C@@H](C)c1cnc2ccsc2c1 90450982 YSDFXBNROZARKL-LBPRGKRZSA-N 276.405 3.540 30 20 CHED CC1(C)CCCC[C@H]1Nc1cccc(OCC#N)c1 94277024 VHKZKHCVCIQESJ-OAHLLOKOSA-N 258.365 3.970 30 20 CHED N#CCCN(Cc1ccco1)Cc1cccc2ncccc12 1167558611 QRKCMTXSWCNHMP-UHFFFAOYSA-N 291.354 3.744 30 20 CHED Cc1nc(NCC2(Cc3ccc(F)cc3)CC2)ccc1C#N 1161622852 PLSQKQPVDJBWRB-UHFFFAOYSA-N 295.361 3.836 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1Nc1ncc(C#N)cc1F 1162674915 BQESJVRBVOUERS-QFYYESIMSA-N 299.324 3.967 30 20 CHED CC(C)(C)C[C@H]1CCN(c2ncc(C#N)cc2Cl)C1 1163519867 VQYGQVFLIAYLKG-LLVKDONJSA-N 277.799 3.869 30 20 CHED CC(C)c1nc(C=NNc2ncccc2Cl)cs1 1319518062 JCYDFUPBZWJVKC-UHFFFAOYSA-N 280.784 3.761 30 20 CHED CC(C)[C@H](C#N)C=NNc1ccc(C#N)c(C(F)(F)F)c1 1319397596 RTWYWUDQARWDKU-LLVKDONJSA-N 294.280 3.771 30 20 CHED CCc1cccc(NC(=O)CC#Cc2ccccc2)c1 1319641250 WIYUODJPDYADSX-UHFFFAOYSA-N 263.340 3.629 30 20 CHED COC(=O)c1cccc(/C=C2/Cc3c(C)cccc3C2=O)c1 1319641053 SBYDLAKABYTSGH-GDNBJRDFSA-N 292.334 3.604 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)CC#Cc1ccccc1 1319200633 YRBFWMPPIHTJOD-QGZVFWFLSA-N 291.394 3.566 30 20 CHED Cc1cc(C(=O)Nc2sccc2C#N)cc(C)c1F 134094598 ILMCMFOZTMQEED-UHFFFAOYSA-N 274.320 3.628 30 20 CHED CN(C)c1ccc(CSCCC(C)(C)C#N)cc1 1324778495 XYIDVTVREFALCH-UHFFFAOYSA-N 262.422 3.926 30 20 CHED COc1cc(C=NNCc2ccc(Cl)cc2)ccc1F 1324406689 AOGWFOZAUDJVGR-UHFFFAOYSA-N 292.741 3.611 30 20 CHED N#Cc1cncc(NC[C@H]2CCCC[C@@H]2c2ccccc2)n1 1186450842 GCVUPOFZCUOWFG-NVXWUHKLSA-N 292.386 3.734 30 20 CHED C=CCCCCNC(=O)N(CC)Cc1ccccc1F 1320342109 HJFYOJFCTWWIHG-UHFFFAOYSA-N 278.371 3.714 30 20 CHED COc1ccccc1C1(NCCC(C)(C)C#N)CCC1 1323488500 UNUKGOZOCUJOGO-UHFFFAOYSA-N 272.392 3.604 30 20 CHED C#C[C@@H](CCC)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1255708820 FIZMKVCCHSUQEM-NSHDSACASA-N 288.778 3.661 30 20 CHED N#Cc1ccc(CSCC(=O)OC2CCCCC2)s1 1332929509 ZXPQNDBTUHQBME-UHFFFAOYSA-N 295.429 3.729 30 20 CHED Cc1cc(C)c(/C=C/CN(C)[C@H](C)CC#N)c(C)c1 1180030812 QADUBWLGLPGCDS-FYCOFBDGSA-N 256.393 3.859 30 20 CHED CC(=O)c1csc(-c2nnc(-c3cccc(C#N)c3)o2)c1 1341640801 UZJMKTPKTXJWJY-UHFFFAOYSA-N 295.323 3.539 30 20 CHED CCN(C(=O)/C=C(/C)c1ccccc1Cl)[C@H](C)C#N 1261755431 FDCFTBVJFPWJKX-UCQJPZFISA-N 276.767 3.504 30 20 CHED CC(C)C[C@]1(C)CCCN1CCOc1ccccc1C#N 1194533653 GFOJMOQFAPRKEA-SFHVURJKSA-N 286.419 3.838 30 20 CHED CC(C)(C)c1csc(NC(=O)[C@H]2CC2(C)C)c1C#N 1436551586 GUWGTBJCPQOOOO-SNVBAGLBSA-N 276.405 3.902 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1CCC(=C)CC1 1350138083 IUJJNOHZFQKJCR-UHFFFAOYSA-N 273.376 3.583 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1cccc(C#N)c1 1516898837 SQOLNASWJOMBQP-CYBMUJFWSA-N 290.322 3.656 30 20 CHED C=C(CC)C(=O)N[C@H](CC)c1ccc(Cl)s1 1519456120 POGVQXHYMDDQGA-SECBINFHSA-N 257.786 3.935 30 20 CHED Cc1nc(N[C@H]2C[C@H]2Cc2ccccc2)c(Cl)cc1C#N 1458198163 JOWTYOVOZPFQQD-CJNGLKHVSA-N 297.789 3.958 30 20 CHED C[C@@]1(Cc2ccccc2)CCCN1c1ccnc(C#N)c1 1458303413 DESBWKOPHDUZLH-SFHVURJKSA-N 277.371 3.555 30 20 CHED N#Cc1ccc(NC(=O)Nc2cccc3ccsc23)nc1 1467098622 GDNGYAFSVZUGAX-UHFFFAOYSA-N 294.339 3.812 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1C[C@H]2CCC[C@H]21 1539776200 XAUINDPSYSHXSG-RAIGVLPGSA-N 294.830 3.533 30 20 CHED Cc1cccc(C)c1CNC(=O)Nc1cccc(CC#N)c1 1476610762 TYVVXXQCVBDVDV-UHFFFAOYSA-N 293.370 3.691 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccc3c[nH]nc3c2)n1 1559318577 VUNJTZOCWJAWKP-UHFFFAOYSA-N 294.383 3.739 30 20 CHED CSCCCCCNc1cccc(F)c1C#N 229570713 WOJNMIUXKUCAFQ-UHFFFAOYSA-N 252.358 3.643 30 20 CHED N#Cc1ccnc(Oc2ccc3cccnc3c2)c1Cl 229034040 GTKLQQYEZBDJAK-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)Nc1cc(F)cc(C#N)c1 1563172527 LOZCEMXXEXHHBW-OAHLLOKOSA-N 289.354 3.740 30 20 CHED Cc1ccnc(NCC[C@H]2CCc3ccccc32)c1C#N 1642740504 NXOSEIIRAWWZIA-OAHLLOKOSA-N 277.371 3.794 30 20 CHED N#Cc1cccc(OCCN(CC2CC2)c2ccccc2)c1 1644851464 OWOFTQXNTVXBID-UHFFFAOYSA-N 292.382 3.854 30 20 CHED CC(C)CC[C@@H]1CCCCN1c1ncc(C#N)cc1F 1642435782 QHSHRQWKAGIDLX-AWEZNQCLSA-N 275.371 3.887 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(N(C)C(C)C)c(F)c2)n1 1642205703 LRDXKUWOOUICPN-UHFFFAOYSA-N 298.365 3.989 30 20 CHED Cc1cc(F)c(C(=O)Nc2cc(C#N)ccc2F)c(F)c1 1584674662 OLPGWLWMGUUZEZ-UHFFFAOYSA-N 290.244 3.536 30 20 CHED COc1ccc(CNCCCC2CCCC2)cc1C#N 230638551 QUHYJNDLSJOCMA-UHFFFAOYSA-N 272.392 3.627 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C)[C@H]2C)cc1C#N 1584088112 XIMPNTQBHRJCFH-AXAPSJFSSA-N 271.360 3.848 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H]1C[C@@H]2CCC[C@@H]21 1658578195 XNMUFVCGOPVMPO-ABHRYQDASA-N 256.349 3.578 30 20 CHED N#Cc1ccc(CCN2CCc3c(Cl)cccc32)cc1 1653685764 AHEOGDCJUBRPBQ-UHFFFAOYSA-N 282.774 3.817 30 20 CHED CO[C@@H](CSc1cc(C#N)ccn1)c1ccc(F)cc1 1652603521 MESUUMGFSLYFCR-AWEZNQCLSA-N 288.347 3.572 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cccc(Cl)c2C)n1 1587096714 USWFNZFPFWOQNO-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)C1CCCC1 1589016386 KKFXBRLHELNGLE-UHFFFAOYSA-N 260.337 3.671 30 20 CHED CC(C)(C)c1ccc(C(=O)/C=C/c2c[nH]c(C(=O)O)c2)cc1 1590472380 OASPVVVXLSSALF-RUDMXATFSA-N 297.354 3.907 30 20 CHED CC(CCc1ccco1)=NNc1ccc(C)c(C(=O)O)c1 1592552420 ZGEDTDLVONXZJA-UHFFFAOYSA-N 286.331 3.707 30 20 CHED CCCCCCCCCN(C)c1nc(C)cc(C(=O)O)n1 1595705398 YWYWHHORJCAHII-UHFFFAOYSA-N 293.411 3.670 30 20 CHED CCC1(C(=O)Nc2cc(F)cc(C#N)c2)CCCCC1 1596855016 CSXBUAFVPRLGBH-UHFFFAOYSA-N 274.339 3.996 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)cc2)cc1 1776114538 RWPVRGWLJUDTJW-QHKWOANTSA-N 292.334 3.989 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc3[nH]c(C(=O)O)cc3o2)cc1 1776114567 SLJWLSZSUMBNKN-SREVYHEPSA-N 295.294 3.664 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(Cl)s2)o1 1777433851 ZUCABJUTTINHQP-ONEGZZNKSA-N 296.731 3.897 30 20 CHED C=CCCC1(C(=O)O)CCN(CC2CCC=CCC2)CC1 1776168241 MDNWLSRNJBSMRR-UHFFFAOYSA-N 291.435 3.866 30 20 CHED C=CC[C@H](C)NCc1ccc(OC)c2ccccc12 134749490 TWWMOPOOTJVKIK-ZDUSSCGKSA-N 255.361 3.903 30 20 CHED C=CCn1c(C)nnc1SCc1c(F)cccc1Cl 13989898 PNUOCJBVUYGLGI-UHFFFAOYSA-N 297.786 3.857 30 20 CHED C=C(C)CNC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 161023615 JELOACNXWNXCPG-HZPDHXFCSA-N 281.440 3.834 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C)c2cccnc2)cc1 158506573 OJLFZVDMAJXCME-LSDHHAIUSA-N 280.371 3.505 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1C[C@@]1(C)CC 160001477 UWJKZQPEWOPLPS-UKRRQHHQSA-N 263.406 3.699 30 20 CHED N#CCC[C@@H](NC(=O)NCC1(C2CC2)CC1)c1ccccc1 160886086 WUVZLXGXBGDDAF-MRXNPFEDSA-N 297.402 3.521 30 20 CHED N#CCC[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1 153463285 LMPQFUXGEFTALF-JKSUJKDBSA-N 268.360 3.504 30 20 CHED C=C(C)CNC(=O)Nc1cc(-c2nc(C)co2)ccc1C 157590359 WWPYPWTWJHCFRX-UHFFFAOYSA-N 285.347 3.656 30 20 CHED C=C(C)CN1CCC(NCc2c(C)oc3ccccc23)CC1 155892638 PWRFFDYCNBSQRE-UHFFFAOYSA-N 298.430 3.871 30 20 CHED C=C(C)COc1cc(CNc2ccccn2)ccc1OC 157436424 HCWLWRJTYVOWEV-UHFFFAOYSA-N 284.359 3.657 30 20 CHED Cc1cc(CN(C)C)cc(NCc2ccc(C#N)cc2)c1 156526073 XEGOSKIOJMAHSG-UHFFFAOYSA-N 279.387 3.540 30 20 CHED CCCCC[C@H](C)NCc1cccc(OCC#N)c1 37263008 XMZNWFRXXJWPIC-AWEZNQCLSA-N 260.381 3.647 30 20 CHED N#C[C@H](NC(=O)c1ccc(Cl)cc1)C1CCCCC1 40360047 SPCOQHVJUOGZNN-AWEZNQCLSA-N 276.767 3.542 30 20 CHED Cc1cnc(CNc2ccc(Cl)c(C#N)c2)s1 179945545 WHRDHYVUMSTBQK-UHFFFAOYSA-N 263.753 3.589 30 20 CHED Cc1nc(C)c(CNc2ccc(Cl)cc2C#N)s1 302706981 YOCOECGTTXEMDB-UHFFFAOYSA-N 277.780 3.897 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)c(F)c2)cs1 404677272 HWDUKWGXTJSSMT-LLVKDONJSA-N 274.364 3.918 30 20 CHED CC[C@@H]1CC[C@H](C)N(c2nccc(C#N)c2Cl)C1 312873287 GVNNTKPYJSYZSD-WDEREUQCSA-N 263.772 3.622 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NC1CCCCC1 78832028 IRVCFNHFKGWHLN-UHFFFAOYSA-N 269.270 3.717 30 20 CHED N#Cc1cnc(NCCC2=CCCCC2)c(Cl)c1 524233606 LZKQGKKDNHIENV-UHFFFAOYSA-N 261.756 3.909 30 20 CHED C#C[C@@H](NC(=O)CSc1cc(C)ccc1C)C(C)(C)C 702225834 ZBXIDVODYARNKL-OAHLLOKOSA-N 289.444 3.560 30 20 CHED CC[C@H]1CC[C@H](C(=O)N2CCC(CCC#N)CC2)CC1 399488265 UBYSMDBAVLEWPZ-KOMQPUFPSA-N 276.424 3.745 30 20 CHED CC(C)(C)c1nc(C=NOCc2ccccc2)cs1 920374805 AMKKAWNDJKPJPK-UHFFFAOYSA-N 274.389 3.991 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCc1ccccc1F 106422654 NAJJZTQDYXBIDP-UHFFFAOYSA-N 290.382 3.737 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OC)c(Br)c1 178052639 VBWJXGCZBCJSPX-NSHDSACASA-N 296.208 3.522 30 20 CHED CCCCCCCC(=O)N[C@@H](CC(=O)O)c1ccccc1 59082238 ZSGQITGZXHPSFA-HNNXBMFYSA-N 291.391 3.679 30 20 CHED CCc1cccc(CC)c1NC(=O)N(C)[C@@H](C)CC#N 119906252 UWEMJDFVDSTJIK-LBPRGKRZSA-N 273.380 3.577 30 20 CHED Cc1cc(O)c(CN(CCC#N)CC(C)(C)C)cc1C 104657746 MHZTVRWTTPUIIJ-UHFFFAOYSA-N 274.408 3.771 30 20 CHED N#CC1(c2nc(C3CCCCC3)no2)CCCCC1 177723963 WPEMZNDYEDRVAA-UHFFFAOYSA-N 259.353 3.843 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2cccc(SCC#N)c2)C1 175573115 HJPUCBKIHLEFDT-OCCSQVGLSA-N 288.416 3.611 30 20 CHED COc1ccc(C)cc1CCNc1cccc(F)c1C#N 26761006 ACVHNLHVVVDWOW-UHFFFAOYSA-N 284.334 3.669 30 20 CHED C=CCCCC(=O)N[C@H]1CCCC[C@@H]1SCC 175281184 RTVFXFADJGZZHV-STQMWFEESA-N 255.427 3.523 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccc(C(C)(C)C)cc1 119863464 IBXPEEUKDXRUKU-GFCCVEGCSA-N 273.380 3.750 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2ccccc2n1 63960339 CXVNHMUHKGQQFB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N[C@@](C)(C#N)C(C)C 116185460 TZACOFVHWQEIMX-YOEHRIQHSA-N 272.392 3.543 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 117454786 MONSGEGJEUKYRQ-GFCCVEGCSA-N 289.354 3.741 30 20 CHED C=CCN1CCC(NC(=O)[C@@H](CC)CCCCCC)CC1 172291559 UJTBJLKGPMUFMJ-INIZCTEOSA-N 294.483 3.750 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@H]2c2ccccc2)nc1 110603786 FCCQRXSHKUFTOG-HOTGVXAUSA-N 263.344 3.701 30 20 CHED CCC(CC)C/N=C(/N)Nc1ccc(OC)c(Cl)c1 304736586 AEDHSZDWOHBOPV-UHFFFAOYSA-N 283.803 3.511 30 20 CHED C=C(CC)C(=O)N1CCCCC[C@H]1CC(=O)c1ccco1 1346410100 WXGPNEBTEGNEDH-AWEZNQCLSA-N 289.375 3.590 30 20 CHED N#CC1(C(=O)Nc2cccc(OC(F)(F)F)c2)CCCC1 24469306 RHPXTPHRRUGHFN-UHFFFAOYSA-N 298.264 3.608 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2ccc(F)cc2)c1 206978173 PGJVDXBDDUZCLF-TWGQIWQCSA-N 251.260 3.593 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(OC)cs1 176772616 DRNKIQZFTGGNOL-UHFFFAOYSA-N 294.420 3.549 30 20 CHED C=CCOCCCc1nc(-c2ccccc2Cl)no1 174844999 PVIZOHCHNBMKQS-UHFFFAOYSA-N 278.739 3.525 30 20 CHED CC(C)(CNc1ccc(C#N)nc1)Cc1ccccc1 301532121 SEHSJHBLCPVPTG-UHFFFAOYSA-N 265.360 3.634 30 20 CHED CC1CCN(CCCNc2cc(Cl)ccc2C#N)CC1 303535103 XJFFWSXFRZYPHE-UHFFFAOYSA-N 291.826 3.746 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(C#N)CCC1 118981142 VDSNTNOCFTXPOC-UHFFFAOYSA-N 297.185 3.646 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCSc2ccc(F)cc21 172054163 HTCXCPYJYZWVEQ-GXFFZTMASA-N 294.395 3.626 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 175983575 FLAASQVERVNRLL-DYVFJYSZSA-N 288.391 3.532 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H](C)C1 303838472 HYSTWPKWTAQRTD-GOEBONIOSA-N 287.378 3.614 30 20 CHED Cc1cccc(CN(C)c2ncc(C#N)cc2Cl)c1C 488425500 BJWGJMZCDCVBGA-UHFFFAOYSA-N 285.778 3.860 30 20 CHED C[C@@H](Nc1ccc2cc(C#N)ccc2n1)C1CCC1 301958394 NXKABJFVQDLNTK-LLVKDONJSA-N 251.333 3.707 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(C(F)(F)F)CC1 187512385 MZCAWRVUSKEBCK-NSHDSACASA-N 282.309 3.894 30 20 CHED COc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1OC 37199068 NQQIZFSXMMVJFV-LBPRGKRZSA-N 282.343 3.749 30 20 CHED N#Cc1cccc(C#N)c1Sc1cccc(F)c1 302899811 SGXSLGAHTDXDBU-UHFFFAOYSA-N 254.289 3.720 30 20 CHED C=CCCCNc1ccc(CCC(=O)N2CCCC2)cc1 77245536 MHJDDZUWBCHJJY-UHFFFAOYSA-N 286.419 3.620 30 20 CHED C=CCCOC(=O)/C=C/c1cnc(C(C)(C)C)s1 76872481 GRFOXFRQARGJOS-BQYQJAHWSA-N 265.378 3.573 30 20 CHED CC#CCCSCc1nnc(-c2ccccc2)s1 127988512 CHVPYVQJGUYEIH-UHFFFAOYSA-N 274.414 3.852 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(C)c2ccc(C#N)cc2)C[C@H]1C 410526495 OLKBZHWLSXSTSD-UMVBOHGHSA-N 270.376 3.593 30 20 CHED CCCCCN(CCCOC)Cc1cc(C#N)ccc1F 505889686 IPXIABVFGPMBKZ-UHFFFAOYSA-N 292.398 3.726 30 20 CHED C=CCC1(C(=O)Nc2cc(F)c(OC)c(F)c2)CCC1 189179745 URBDWWBQCYROKL-UHFFFAOYSA-N 281.302 3.658 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(C#N)c(F)c2)C1 361839861 MSLKPKXGCDCHSL-INIZCTEOSA-N 260.356 3.709 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1ccc(F)c(F)c1 126198685 XNCIVIQCWVWJPN-UHFFFAOYSA-N 265.303 3.696 30 20 CHED C=C[C@H](CCC(=O)O)NCc1cc2cc(C)c(C)cc2o1 417604521 BWAYRJPVXOQOPS-CQSZACIVSA-N 287.359 3.559 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 122371797 JPDHUWMLGMGXMU-IUODEOHRSA-N 288.391 3.532 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N(C)C1(C#N)CCC1 122593341 RJISTFJTVJTZMD-ZRDIBKRKSA-N 288.778 3.648 30 20 CHED C=C1CCN(C(=O)Cc2cccc(OCC=C(C)C)c2)CC1 416152118 UYLHTQDLZUYIDL-UHFFFAOYSA-N 299.414 3.753 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(CN(C)C)c1 181038287 DJKAXIZNARPASR-AWEZNQCLSA-N 289.423 3.615 30 20 CHED Cc1ccc2cccc(C(=O)Nc3cccc(C#N)c3)c2n1 78059365 QOLYUXQNVARXID-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC[C@H](C)N(C)Cc1ccc(Br)cc1C#N 336678945 WUZXUZASFOPFPY-JTQLQIEISA-N 281.197 3.551 30 20 CHED CC(C)Oc1ccc(Cl)cc1NC(=O)[C@]1(C#N)C[C@H]1C 410874630 SSEVRJYPHAWSJY-BMIGLBTASA-N 292.766 3.615 30 20 CHED CC(C)(C#N)CCSCc1ccn(CC(F)(F)F)n1 419480476 VFNXADYSIYQIHR-UHFFFAOYSA-N 291.342 3.618 30 20 CHED Cc1ccc2sc(C(=O)NCC3(C#N)CCC3)c(C)c2c1 416346256 KMLHIQDLMYMJTH-UHFFFAOYSA-N 298.411 3.942 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1cccc([N+](=O)[O-])c1 127357382 BFMWKZGXUXVELQ-FPLPWBNLSA-N 299.330 3.512 30 20 CHED N#CCOc1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1 318877578 MAZSUIZZKZBFFX-UHFFFAOYSA-N 298.386 3.744 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cc(F)cc(F)c1 414162858 HVORFGXUDCVKHL-JTQLQIEISA-N 252.308 3.555 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1CCC[C@@H](C)C1 505201103 LNFJOLJWZUEJDI-HZPDHXFCSA-N 278.440 3.991 30 20 CHED C#CCC(C)(C)C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 185981703 DWSHFZIVGASUNK-UHFFFAOYSA-N 295.426 3.969 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(C#N)c1 188091278 DAFBDMOVGYSRMF-CQSZACIVSA-N 275.355 3.623 30 20 CHED Cc1nnc(SC[C@H](C)c2ccccc2)c(C#N)c1C 182715927 ITDZWPBQLMHKPO-NSHDSACASA-N 283.400 3.861 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)C(C)(C)C#N 131293089 SHGJKPDBEMSAJW-IYJAJMOOSA-N 297.398 3.762 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1ccccc1OC 180019485 VDONRLVNQNOVPR-INIZCTEOSA-N 285.387 3.552 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(Cl)c(Cl)c1 47979393 GYDAMZSIAKZKLV-VIFPVBQESA-N 257.164 3.585 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 84058874 OBQFAFONFAHNMT-UHFFFAOYSA-N 296.273 3.891 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C)c(N(C)C)cc1C#N 415713131 VHRLSEHCDUVVCY-DZGCQCFKSA-N 299.418 3.698 30 20 CHED COCCCC(=O)Nc1cccc(C#Cc2cccs2)c1 49636465 IPLZHERDPXPXDK-UHFFFAOYSA-N 299.395 3.513 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1cccc(C#N)c1 45672684 OTBVBKSVQUQXHK-UHFFFAOYSA-N 278.355 3.611 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2)C1 192623183 QAFMPXGXIVULGT-JSGCOSHPSA-N 282.309 3.877 30 20 CHED C=C(C)CCc1noc(COc2ccccc2CC)n1 508644796 HIFLZMDHRBSLLF-UHFFFAOYSA-N 272.348 3.720 30 20 CHED C=CCCCCCCN[C@H](c1nccn1C)C1CC1 287223655 XTJYUYFEIKZCJV-HNNXBMFYSA-N 261.413 3.597 30 20 CHED CCCCCCCCC(=O)N[C@H](C)[C@H](O)c1ccccc1 220249045 SFXYCGSDCAGERV-QAPCUYQASA-N 291.435 3.975 30 20 CHED C[C@H](Cc1ccsc1)Nc1nc2c(cc1C#N)CCCC2 44420074 LYRKVKQYTMELHY-GFCCVEGCSA-N 297.427 3.937 30 20 CHED Cc1cc(C)c(C(=O)COc2ccccc2C#N)c(C)c1 47873600 OBVJZNASLYJKBP-UHFFFAOYSA-N 279.339 3.745 30 20 CHED CC(C)(C)CCNC(=O)Nc1ccc(C#N)c(Cl)c1 49262497 SSHCLWPQUZJJLR-UHFFFAOYSA-N 279.771 3.769 30 20 CHED CCc1ccc(OC(=O)CSCC#N)c(C(C)(C)C)c1 192501087 YDCVKNSVQYDFLF-UHFFFAOYSA-N 291.416 3.709 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](N)c2ccccc21 423174711 CNQNDYIFAAJZHM-NSISKUIASA-N 292.426 3.908 30 20 CHED C=CCC1(C(=O)NCc2ccc(Cl)cc2)CCC1 190211944 UXIKFNTUVCSEMP-UHFFFAOYSA-N 263.768 3.703 30 20 CHED CC[C@@H]1OCCC[C@H]1C(O)=Nc1cccc2ocnc12 328861296 APWVBYWTFRDWKX-PWSUYJOCSA-N 274.320 3.621 30 20 CHED Oc1ccccc1/C=N/[C@H](C[C@H]1CCOC1)c1ccccc1 133123907 NPJZBJWQZGWIBJ-AGRXVMOLSA-N 295.382 3.979 30 20 CHED C[C@@H](/N=C(/O)c1snnc1C1CC1)C1CCCCC1 329586960 RUSFPOREWNZTEK-SECBINFHSA-N 279.409 3.689 30 20 CHED N#Cc1ccc(OC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1 130610629 RSGVJWDQUTUDPG-JDPPGYRCSA-N 299.345 3.772 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(F)c1F 192162775 IVTXKOSYRAYINF-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCc3ccccc3O2)n1 420507141 XIDGSBRJAHZFDD-AWEZNQCLSA-N 284.359 3.990 30 20 CHED Cc1nsc(N(C)Cc2c(F)cccc2Cl)c1C#N 339970375 SACWGFFWPWWABT-UHFFFAOYSA-N 295.770 3.752 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC(F)F)c1ccccc1 422254686 FXZXSLJMZFMWKM-CYBMUJFWSA-N 282.334 3.600 30 20 CHED CCN(CCc1ccc(C(F)(F)F)cc1)CC1(C#N)CC1 425555367 YOWIRHAIKGCTSF-UHFFFAOYSA-N 296.336 3.874 30 20 CHED CCc1ccnc(C/N=C(/O)NC2CCC(CC)CC2)c1 331252109 YDQUTGOLUORMAX-UHFFFAOYSA-N 289.423 3.616 30 20 CHED CC(C)CCOC1CCN(Cc2ccccc2C#N)CC1 193107680 QSFWYTCKSAUINU-UHFFFAOYSA-N 286.419 3.585 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(-c3nccs3)c2)C1 335381734 ZADPTDSJEOVJCN-FZMZJTMJSA-N 269.373 3.914 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1C 96931554 BKHMMJLMRWLEDY-OQFOIZHKSA-N 268.312 3.605 30 20 CHED N#Cc1cccc(OC2CCN(Cc3ccsc3)CC2)c1 92034445 ZRDVFSVAOGUIAD-UHFFFAOYSA-N 298.411 3.663 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)n1cccc1 517101523 VTPYSJWNPACLQS-AWEZNQCLSA-N 295.386 3.879 30 20 CHED Cc1cc([C@H](C)/N=C(/O)c2ncccc2C)c(C)o1 331119623 ANDPVKLGNJBRMW-NSHDSACASA-N 258.321 3.666 30 20 CHED CC[C@H](/N=C(/O)c1cc(NC)ccc1Cl)[C@H]1CCCO1 331235116 DPWZPSSMQJDBCD-UONOGXRCSA-N 296.798 3.644 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc2c(cnn2C(C)C)c1 519695741 NBMORQBDZTYTBL-UHFFFAOYSA-N 286.379 3.553 30 20 CHED CCCN(Cc1ccccc1)c1ccc(C#N)c(C)n1 384436023 ZVSLWNNGTWAKRY-UHFFFAOYSA-N 265.360 3.678 30 20 CHED Cc1cc(Cl)c(NC(=O)N2CCC(C#N)CC2)cc1C 336288021 SQOORKPIRHLQBJ-UHFFFAOYSA-N 291.782 3.724 30 20 CHED CCC(CC)(CC)[S@](=O)Cc1ccc(CC#N)cc1 431173143 OKBRMZDBDBBJDG-LJQANCHMSA-N 277.433 3.970 30 20 CHED C[C@H](Nc1c(F)cc(C#N)cc1F)c1c(F)cncc1F 335955959 QWYCVZSUFYLLDY-ZETCQYMHSA-N 295.239 3.683 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H](c2ccccc2)C1 431946584 QYWUEFCTTHAQCQ-GDBMZVCRSA-N 272.392 3.540 30 20 CHED C=CCCCCCN1CCC(CO)(c2ccccc2)CC1 433065458 FEGNPWBBWXYTGK-UHFFFAOYSA-N 287.447 3.759 30 20 CHED CC(C)C[C@H]1CCCN1c1snc(Cl)c1C#N 92629979 JQQFFRCHYVNOHX-SECBINFHSA-N 269.801 3.683 30 20 CHED N#CCCCCN1CCC(OCc2ccc(F)cc2)CC1 91869375 LMUHTNWKPHQBQI-UHFFFAOYSA-N 290.382 3.501 30 20 CHED CC(C)Oc1ccccc1Cn1nc(C#N)c2ccccc21 432486088 RJTOUXZBBIDTQT-UHFFFAOYSA-N 291.354 3.743 30 20 CHED C=CCOc1ccccc1-c1nc([C@@H]2CC[C@@H](C)O2)no1 528238661 MDVCDGIHKIAOLD-RISCZKNCSA-N 286.331 3.541 30 20 CHED COCc1ccc(N[C@H]2CC=C(C)CC2)cc1C#N 529641017 ANZYXERRBLWYGP-HNNXBMFYSA-N 256.349 3.615 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC=Cc2ccccc21)OCC 342007162 SAVIKGLKCIUKND-KRWDZBQOSA-N 285.387 3.808 30 20 CHED Cc1cc(N(Cc2c(F)cccc2F)C2CC2)cc(C#N)n1 343212219 BMVNXNIVMSFYSB-UHFFFAOYSA-N 299.324 3.709 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](Cc2ccccc2)C2CC2)C1 248939328 YQQLQFKIQKWAMD-NJAFHUGGSA-N 268.404 3.680 30 20 CHED COCC(C)(C)CCCNc1ccc(C#N)cc1F 340947508 HDGPQIJRPDRPTF-UHFFFAOYSA-N 264.344 3.562 30 20 CHED Cc1cccc(NCCOc2ccc(C#N)cc2)c1C 248127502 XFBUZCHRNKNYLQ-UHFFFAOYSA-N 266.344 3.666 30 20 CHED C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)COCc1ccccc1 248948864 ZPSPRPIIWMYPGW-NXHRZFHOSA-N 286.419 3.511 30 20 CHED CC#CCCCC(=O)Nc1cn(CC(C)C)nc1C(F)F 341309337 IQASKCDCMCGOLU-UHFFFAOYSA-N 297.349 3.609 30 20 CHED C[C@H](CCC#N)CN(C)Cc1ccccc1N1CCCC1 602436274 MPXVHFGGILHDAD-MRXNPFEDSA-N 285.435 3.658 30 20 CHED C[C@@H]1CC=CC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 340902327 GYLWQKTVPSBGPN-KDOFPFPSSA-N 294.398 3.652 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1N(C)C 344076271 SVTDKBSNVCHBQY-OAHLLOKOSA-N 293.414 3.817 30 20 CHED C[C@H]1C[C@H](CC(=O)N(C)C2(C#N)CCC2)CC(C)(C)C1 608959306 MDABDOVKLHLAOG-UONOGXRCSA-N 276.424 3.744 30 20 CHED C=CCC(C)(C)c1noc(C(C)(C)c2cccnc2)n1 340774675 MNBFEDCXBUBQBD-UHFFFAOYSA-N 271.364 3.644 30 20 CHED C[C@@H]1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 437068831 KZWGWAQVEXTFJY-SRCQZFHVSA-N 254.377 3.714 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1 182319008 FHDMJPNRNVOFSY-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED Cc1nc(N2CC3(CCC3)[C@H]2c2ccccc2)ccc1C#N 432143261 MBZQYVABVZJGET-GOSISDBHSA-N 289.382 3.993 30 20 CHED Cc1ccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)c(C#N)c1 600775441 ILUCQEHBHMHOCZ-IFXJQAMLSA-N 292.382 3.583 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)Oc1ccc(F)cc1 606815630 QULAYTVSLZVVSA-CQSZACIVSA-N 293.382 3.798 30 20 CHED N#CC1(CNc2ncnc3sc4ccccc4c23)CC1 521529960 NVPKABFYRSEBAA-UHFFFAOYSA-N 280.356 3.560 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(F)c(F)c1 342623876 MHXDUDMMFRNZBU-UHFFFAOYSA-N 283.318 3.666 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2ccccc2CC#N)C1 601261423 QHYICFZTNRETHX-GOSISDBHSA-N 284.403 3.795 30 20 CHED Cc1cc(Cl)c(OC[C@@H](C#N)CCC#N)cc1F 342914402 WRSNDCRRJXPHIS-SNVBAGLBSA-N 266.703 3.610 30 20 CHED CC[C@H](C)Oc1ccccc1/C=C\C(=O)OCCCC#N 255773175 NCJHEODMLZIIAB-BMSUMIBZSA-N 287.359 3.724 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc(Cl)ccc1Cl 608824227 WCLGVDXADPALOI-JTQLQIEISA-N 285.174 3.661 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(Cc2ccc(C#N)nc2)n1 528205888 LSKJYXBOBIJNPR-ZFWWWQNUSA-N 296.374 3.611 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCCOc2c(F)cccc21 602587431 GWXBIQOURFYYLP-WFASDCNBSA-N 276.355 3.569 30 20 CHED C=CCN(C(=O)c1cccc(OC2CCCC2)c1)C1CC1 357527132 OCHBPSLQEXZWHS-UHFFFAOYSA-N 285.387 3.799 30 20 CHED C/C(=C/c1ccc(C#N)s1)c1nc(O)c2ccsc2n1 255180886 PEZBZMAUEDSJKY-VURMDHGXSA-N 299.380 3.891 30 20 CHED Cc1ccc(CN(C)C(=O)/C=C\c2ccccc2C#N)s1 255302087 QTSKLYDGGSTKMQ-NTMALXAHSA-N 296.395 3.600 30 20 CHED Cn1cc(CNC[C@@H]2CCC[C@H]2c2ccccc2)cc1C#N 449403036 UTBCQBWBKXHOEL-HKUYNNGSSA-N 293.414 3.570 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(CCC#N)Cc1ccccn1 358055006 XWLQXXVMFNJIKQ-OAHLLOKOSA-N 299.418 3.540 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CCC[C@H](C)C1 351115253 MCBAJAPNTYPSHO-ZFWWWQNUSA-N 288.439 3.747 30 20 CHED Cc1nc(C)c(C#N)c(SCc2ccc3c(c2)CCC3)n1 351841173 PPACUPMPIARNPD-UHFFFAOYSA-N 295.411 3.746 30 20 CHED C[C@H](CCC#N)CNc1ccc(C(=O)NC2CCCC2)cc1 602699176 KCXNHCXKEPOZEM-CQSZACIVSA-N 299.418 3.711 30 20 CHED C=C(CC)CSc1nncn1CCc1cccs1 538007973 VLYLAXGKAUGJHU-UHFFFAOYSA-N 279.434 3.641 30 20 CHED C=CCC1(C(=O)Nc2ccc3nc[nH]c3c2)CCCC1 449811146 KGDPBVMYNYYIND-UHFFFAOYSA-N 269.348 3.638 30 20 CHED CO[C@@]1(C)CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 359740618 VAXXSGLVQYJVPT-AWEZNQCLSA-N 298.308 3.582 30 20 CHED C=CCC1(NCc2csc(C)n2)CCCCC1 449570556 BOZRKOVUOKTVDP-UHFFFAOYSA-N 250.411 3.820 30 20 CHED CC(C)[C@H]1N(C(=O)c2cc(C#N)ccc2Cl)CC1(C)C 350748206 MQHZSGRHZKNWOO-CQSZACIVSA-N 290.794 3.718 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2cccc3ccccc23)C1 612036878 WCPYYMDFHWPQJD-SFHVURJKSA-N 293.370 3.997 30 20 CHED CCOC(=O)c1cccc(SCCCSCC#N)c1 357096756 DLIXLUFRPVBRQU-UHFFFAOYSA-N 295.429 3.602 30 20 CHED CCCCOc1ccc(CN2CCC[C@](C)(C#N)C2)cc1 612404390 VFQUCJNOWYMJGT-GOSISDBHSA-N 286.419 3.991 30 20 CHED CCC(CC)N(C(=O)Nc1ccc(F)cc1C#N)C1CC1 530722270 RVKXVFBXMJWUPU-UHFFFAOYSA-N 289.354 3.882 30 20 CHED CC1(C#N)CCC(Nc2cc3c(cn2)CCCC3)CC1 449334691 GJHDDWDRRPINFP-UHFFFAOYSA-N 269.392 3.845 30 20 CHED C=CCOc1ccc(C(=O)N(CCC)C(C)(C)C)cc1 444726973 DBFQBGNSEVCNNL-UHFFFAOYSA-N 275.392 3.902 30 20 CHED CCCC[C@H](CCC)CNC(=O)N1CCC[C@](C)(C#N)C1 612137730 CKVAWFXMKUWINP-DOTOQJQBSA-N 293.455 3.928 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])s1)c1cccc(C#N)c1 610340385 PUXVSXGCIMRTEW-SECBINFHSA-N 273.317 3.701 30 20 CHED Cc1nc(COc2ccc(C(F)(F)F)c(C#N)c2)oc1C 619573049 DWDDJDSRGIZEBY-UHFFFAOYSA-N 296.248 3.761 30 20 CHED C=CCCS[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 534997451 VVZGTSXTFDLKNB-ZDUSSCGKSA-N 299.798 3.894 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 455310070 LTLVYVLBCUAWOP-AWEZNQCLSA-N 260.381 3.664 30 20 CHED Cc1cccc([C@@H](C)NCCOc2ccccc2C#N)c1C 537087955 OEYKEIZQCVIZFF-MRXNPFEDSA-N 294.398 3.905 30 20 CHED C=CCC[C@H](C(=O)N[C@H](CC)C(F)F)c1ccccc1 452267229 UQKRUCMRBWVXRB-UONOGXRCSA-N 281.346 3.896 30 20 CHED C=C(C)CN(C)C(=O)C1(C(F)(F)F)CCCCC1 613305378 RYQYUIDTGAZYLB-UHFFFAOYSA-N 263.303 3.534 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@](C)(C#N)C1 612250443 HQDURSRGFRVTBL-QAPCUYQASA-N 284.403 3.641 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1ccc(C)o1 533123501 FLEXBYHZXOIFEU-UHFFFAOYSA-N 275.392 3.725 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OC)c(SC)c1 457896928 DLURPLHGGRGVTC-UHFFFAOYSA-N 279.405 3.958 30 20 CHED C=CCSc1ccccc1C(=O)N(C)CC(C)C 362394861 BZGFJPMPZPVMCS-UHFFFAOYSA-N 263.406 3.693 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCCc2ccccc2)C1 618562202 ISDLKCSTIZUSLW-DLBZAZTESA-N 256.393 3.681 30 20 CHED C=C(CNC(=O)[C@@H](c1cccnc1)C(C)C)c1ccccc1 360211709 FVPYVLKSSGQNOQ-GOSISDBHSA-N 294.398 3.651 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C(C)(C)C)oc2c(F)cccc12 610659734 UWXLJXWWNMTNDD-LBPRGKRZSA-N 288.322 3.548 30 20 CHED COc1cc(F)cc(C[C@H](C)NCC(C)(C)CCC#N)c1 453594097 KBPPHJOYHRBKGJ-ZDUSSCGKSA-N 292.398 3.685 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NCc1cccc(C#N)c1 543440356 GKEQMMCGEJLKPQ-CYBMUJFWSA-N 272.392 3.637 30 20 CHED C=CCCCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C 545310490 XDLHXPGIJRZLIY-CYBMUJFWSA-N 262.353 3.910 30 20 CHED CC[C@H](NCCOC(C)(C)CC)c1ccc(C#N)cc1 453407155 LRELTYKXMPBWRI-INIZCTEOSA-N 274.408 3.804 30 20 CHED CC[C@H](OC(=O)CC(C)(C)C#N)c1cc(C)ccc1OC 278288414 CIZRDIPVOCQERN-AWEZNQCLSA-N 289.375 3.938 30 20 CHED N#Cc1nn(Cc2c(F)cccc2Cl)c2ccccc12 542337628 RPKZQJVOGJVNNG-UHFFFAOYSA-N 285.709 3.749 30 20 CHED C=CCC(CC=C)c1nc(CCC(F)(F)F)no1 273865908 SJNKOYOXTFRORB-UHFFFAOYSA-N 260.259 3.800 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1c1ccccc1 459290258 BZGXWLPXOXTOOG-OALUTQOASA-N 276.383 3.794 30 20 CHED CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1OC 361866761 BWGSYODCQAOUPR-KRWDZBQOSA-N 298.361 3.947 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@@H]1CSc2ccccc21 454913736 OGWLAEZFQOAVSK-CHWSQXEVSA-N 290.432 3.530 30 20 CHED C#CC[C@@H](NCc1cccc(COC)c1)c1ccccc1 270140179 AUMRQENKLZHNQA-LJQANCHMSA-N 279.383 3.687 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(Cl)cc2)no1)OCC 270049568 QXELJFFSKKMIPK-ZDUSSCGKSA-N 292.766 3.914 30 20 CHED CCCCN1CCCC[C@H]1CN[C@@H](C)c1cccc(C#N)c1 540595026 SISKCAMMBZJIBR-LPHOPBHVSA-N 299.462 3.863 30 20 CHED CC#CCCNC(=O)c1cccc(OC2CCCCC2)c1 542670201 GWKXDBYPXAVACC-UHFFFAOYSA-N 285.387 3.541 30 20 CHED N#CCCCN[C@@H]1CCCc2ccc(Br)cc21 273311638 WUJTZRDWHVJDHW-CQSZACIVSA-N 293.208 3.720 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1C[C@H]1Cc1ccccc1 462883486 LVZFDRCBMBSQRY-DYVFJYSZSA-N 266.319 3.740 30 20 CHED C=CCCCNC(=O)c1ccc(OC2CCC2)cc1Cl 468373934 UHUFWGZXGCDTAL-UHFFFAOYSA-N 293.794 3.967 30 20 CHED C=CCOc1c(Cl)cc(CN(C)CC=C)cc1OC 628241462 WLYXCMUWNMQLRQ-UHFFFAOYSA-N 281.783 3.531 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CCC)CCc1ccccc1 464755056 MHVDZVKJBWYUCT-GOEBONIOSA-N 274.408 3.662 30 20 CHED CC[C@@H](C)[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 286153268 PNXARJVDQWUGDY-CABCVRRESA-N 285.435 3.551 30 20 CHED C=CCC1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CCC1 373626882 SWHTZRMCQVJAHQ-HNNXBMFYSA-N 291.435 3.731 30 20 CHED C=CCCCC(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O 372743573 DIYUXCVKYCSXBH-HOTGVXAUSA-N 291.435 3.873 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C(C)(C)C 464710696 LJOPLSHJOHYGAU-HOTGVXAUSA-N 286.419 3.556 30 20 CHED C=C(CC)CN(C)[C@@]1(c2ccccc2)CCCCC1=O 551449111 SHRBMKHFQOXCFP-GOSISDBHSA-N 271.404 3.923 30 20 CHED C=CCCN(C)C(=O)NCC1(c2ccccc2)CCCC1 466975959 RDVKNNJMKFUVRM-UHFFFAOYSA-N 286.419 3.716 30 20 CHED Cc1ccc(C[C@H]2CCCN(C[C@H](C#N)CCC#N)C2)cc1 557704106 IVUBMIAXBNLHSQ-MOPGFXCFSA-N 295.430 3.693 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc(OCC=C(C)C)c1 461037460 JBPHJYLXVFVBJT-CQSZACIVSA-N 273.376 3.726 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(C)sn2)c1 469116272 BNXRPPAEVWPFJQ-UHFFFAOYSA-N 288.372 3.659 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl 468038210 PHNHTZGOKOFLAN-GHMZBOCLSA-N 282.771 3.939 30 20 CHED CC(C)Oc1ccccc1[C@H](C)NCc1cc(C#N)n(C)c1 389431760 UVYXCPAQIXLDIU-AWEZNQCLSA-N 297.402 3.535 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc(C(C)(F)F)cc1 559368915 BTGHSIRNZZOPLX-OAHLLOKOSA-N 294.345 3.856 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1ccoc1CC 280904108 WEQSXBKXKWSSKE-UHFFFAOYSA-N 297.358 3.788 30 20 CHED C=CCCCCCN(C)C(=O)c1c[nH]cc1C1CC1 639807089 NEHQBVSVAJXDEU-UHFFFAOYSA-N 260.381 3.711 30 20 CHED Cc1ccc(CNC(=O)[C@H](C)c2cccc(C#N)c2)c(C)c1 461908882 RVEAYNQTVZOKQP-OAHLLOKOSA-N 292.382 3.595 30 20 CHED C=C(C)CNC(=O)Nc1cc(C(C)C)nn1-c1ccccc1 555004012 OJJPTSURPHZNOX-UHFFFAOYSA-N 298.390 3.693 30 20 CHED CC#CCCCC(=O)NCC1(CC(C)C)CCCC1 466421818 OFMKUQHPPQUPCL-UHFFFAOYSA-N 263.425 3.903 30 20 CHED C[C@H](CSC[C@H](C#N)CCC#N)c1ccccc1 280192310 DCYNTZKXSLNWQI-KGLIPLIRSA-N 258.390 3.967 30 20 CHED N#Cc1cc(N2CCC(c3ccc(F)c(F)c3)CC2)ccn1 288103889 XCGHDNGODYJJMP-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(C(=O)O)c[nH]c3c2)CCC1 630236908 XJTVOXMNTZOVCM-UHFFFAOYSA-N 298.342 3.551 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1ccc(OCC#N)cc1 1341855208 HVECBWHPMSSFAS-GOSISDBHSA-N 278.355 3.997 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1CC[C@H](C#N)C1 471598828 MEEMUUYYKZHAON-ZOPJHEKZSA-N 272.367 3.731 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@](C)(c2ccccc2)CC1 805348092 MWJPOQTXOJURAD-HKUYNNGSSA-N 298.430 3.552 30 20 CHED C#C[C@@H](C)NCc1ccc(Oc2ccc(OC)cc2)cc1 809684112 OCUVPTDIDUYGEN-CQSZACIVSA-N 281.355 3.599 30 20 CHED C=CCCO[C@@H](C)C(=O)N1C[C@H](C(C)C)c2ccccc21 470415644 QSZNMQAWSZYEBD-GOEBONIOSA-N 287.403 3.754 30 20 CHED C=CCOCCCN[C@@H](CC)C(C)(C)c1ccccc1 470776634 KRSAZNURUGTVEZ-KRWDZBQOSA-N 275.436 3.925 30 20 CHED C=C(CNC(=O)/C=C\c1ccsc1)c1ccccc1 805251012 KHBLFIKXRXCORP-FPLPWBNLSA-N 269.369 3.591 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F 295865258 YPKFFURJFGPTQT-LBPRGKRZSA-N 285.309 3.661 30 20 CHED C[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)c1cccs1 568301318 BGZYGOWHBVMHSY-LRDDRELGSA-N 290.432 3.830 30 20 CHED C#CCCCCNC(=O)c1cc2cccc(C)c2s1 808405813 OFLIVHUHYWOLTI-UHFFFAOYSA-N 271.385 3.743 30 20 CHED C=CCCCCNC(=O)NCc1ccc(OC(C)C)cc1 472852790 QNTQAYLKABWEQV-UHFFFAOYSA-N 290.407 3.629 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)C1CCC(C(F)(F)F)CC1 474893627 DRQZEWJSFANZTQ-MRFVTOPCSA-N 293.373 3.518 30 20 CHED C#Cc1ccc(CNc2ccc(N3CCCCC3)nc2)cc1 809633731 JLHOVSINNUBBDH-UHFFFAOYSA-N 291.398 3.665 30 20 CHED C=C[C@@H](CC(=O)N1CCC(F)(F)[C@H](C)C1)c1ccccc1 290839584 HDTWUFNPYQMWNG-KGLIPLIRSA-N 293.357 3.850 30 20 CHED CCCCC[C@@H](NC1CCN(CC#N)CC1)C(C)(C)C 808693923 UWAOXGVXWSUUOT-MRXNPFEDSA-N 279.472 3.559 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2C[C@H]2C2CC2)CCCC1(C)C 470299918 SWOWPOYIZPYGDA-ZNMIVQPWSA-N 261.409 3.626 30 20 CHED CCC(O)(CC)C(C)(C)CN[C@H](C)c1cccc(C#N)c1 569624214 WRQJZQYPZWNNAA-CQSZACIVSA-N 288.435 3.786 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2ccc(F)c(F)c2)c1 806558684 JCSCSNAUHUUSJV-FNORWQNLSA-N 288.249 3.559 30 20 CHED FC(F)(F)c1cc(C=NNc2ccc(Cl)nc2)c[nH]1 807974690 PPOIQORJLFAWLI-UHFFFAOYSA-N 288.660 3.528 30 20 CHED Cc1cc(C)cc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 294225982 DEARLURGFYRCPG-QGZVFWFLSA-N 268.360 3.716 30 20 CHED C=CC[C@@H](CC)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 291128609 MXUYFLSIJHFBNL-LLVKDONJSA-N 262.309 3.564 30 20 CHED C#C[C@H](CC)NCc1ccc(-c2ccccc2F)o1 809686133 RXFAGNDRFIENDZ-GFCCVEGCSA-N 257.308 3.587 30 20 CHED C#C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C)C(C)(C)C 808315815 NGTMZTYTMWTFIX-PVAVHDDUSA-N 298.430 3.622 30 20 CHED COc1ccc(O)c(/C=N/CC2CCC(F)(F)CC2)c1 800720205 APYBZGJOKPCVPF-VCHYOVAHSA-N 283.318 3.645 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)OCC(C)C)CCCC1(C)C 564622373 UWGGBAVCAQVPEI-CABCVRRESA-N 281.440 3.641 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Oc1ccccc1Cl 471670236 SKCGPVYTXZUIJB-GFCCVEGCSA-N 281.783 3.580 30 20 CHED N#CCN(C(=O)c1cccc2c1CCCC2)c1ccccc1 299248664 YXSDONSGAQJCKZ-UHFFFAOYSA-N 290.366 3.736 30 20 CHED N#C[C@]1(C(=O)Nc2cncc3ccccc23)CC12CCCC2 569196397 YREOGJOYWXWBAC-SFHVURJKSA-N 291.354 3.647 30 20 CHED Cn1c(NN=C2CCC[C@H]2CCCF)nc2ccccc21 800810302 KXFBQNVCVJJEJA-LBPRGKRZSA-N 288.370 3.891 30 20 CHED Cc1ccccc1/C=C1/Cc2nc(Cl)ccc2C1=O 806578650 WXDITZTUOCKGNI-WQLSENKSSA-N 269.731 3.866 30 20 CHED C=CCC[C@H](CC)N[C@@H](CN(C)C)c1ccc(OC)cc1 560257800 CZVYROAIVBWZPP-WMZOPIPTSA-N 290.451 3.632 30 20 CHED CCCCCCCOc1ccnc2c1c(C)nn2C 810007749 PIAYLNDJUXEAHP-UHFFFAOYSA-N 261.369 3.626 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1CC[C@H](C2CCCC2)C1 817471436 XIDYMENEKBAJKQ-BBVFFXRHSA-N 294.398 3.610 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=NNCC(F)(F)F)c2c1 811647750 ZISLKDLBTZNGMI-UHFFFAOYSA-N 297.324 3.951 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C 815729498 WXQMMDHEZUHLKG-CQSZACIVSA-N 299.336 3.720 30 20 CHED COC1([C@@H](C)NCc2cc(C#N)ccc2F)CCCCC1 817581678 RJQTZQDWBDQARD-CYBMUJFWSA-N 290.382 3.525 30 20 CHED CCC[C@H](C(=O)[C@H](C#N)c1nc(C)cs1)c1ccccn1 810519603 IEBWMJBEPUSHDJ-STQMWFEESA-N 299.399 3.607 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](c1ccc(F)cc1)C(C)C 814857925 CDOYNDBSYMTABB-ZDUSSCGKSA-N 285.309 3.850 30 20 CHED N#CCC[C@H](NC/C=C/c1ccncc1)c1ccccc1 487576211 SVVUQXCOQNZDKG-QWNKOJSDSA-N 277.371 3.729 30 20 CHED C=CC[C@@H]1CCCC[C@H]1N[C@H](C)Cc1ccccn1 658049901 ZKZFTCSWLTYTAY-BFYDXBDKSA-N 258.409 3.737 30 20 CHED COc1cc(C(C)=NNc2cccc(C(F)(F)F)c2)on1 814690097 UCMZQHKNGAMCSW-UHFFFAOYSA-N 299.252 3.538 30 20 CHED CCCCOc1ccc(C=NOCCOC(C)C)cc1 812239838 BGYXXGCMFFARNF-UHFFFAOYSA-N 279.380 3.641 30 20 CHED N#CCC1(OC(=O)c2[nH]c3ccccc3c2Cl)CCC1 810855829 UZGVHBIAEQIMRS-UHFFFAOYSA-N 288.734 3.814 30 20 CHED CC[C@@H](C)NN=C1CC(c2cc(F)cc(F)c2)C1 814913424 MYYRGCFNDSHGRT-BFHBGLAWSA-N 252.308 3.586 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 571608195 UHOPVENSWNNPKO-OALUTQOASA-N 299.414 3.585 30 20 CHED C=CCOc1ccc(C(=O)N(CC)C[C@H](C)CC)cc1 480223944 KZEVFVPUKIBYAB-CQSZACIVSA-N 275.392 3.760 30 20 CHED C=CC[C@@H](CC)NCCc1ccc(F)cc1Cl 577805484 VZHOOVNWNZRMID-CYBMUJFWSA-N 255.764 3.966 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C1CC2(CCC2)C1 577495383 VJDHECDOAABTFD-QGZVFWFLSA-N 294.398 3.632 30 20 CHED FC(F)(F)CCNN=Cc1ccc(C2CCC2)cc1 814920201 DXGVRMJEBYTOCV-UHFFFAOYSA-N 270.298 3.830 30 20 CHED C=CCC[C@H](C(=O)N(C)CC(C)C)c1ccccc1 488682818 HGIHJFARJJCSFC-INIZCTEOSA-N 259.393 3.851 30 20 CHED C=CCC[C@@H](NC(=O)NOC/C=C/Cl)c1ccccc1 811896579 YKZLTGJGEGTHGT-DPQIITEBSA-N 294.782 3.677 30 20 CHED C=CCN(CCOC)Cc1ccccc1OC1CCCC1 483402159 GTLGQXAOVBTNPY-UHFFFAOYSA-N 289.419 3.642 30 20 CHED N#Cc1cccnc1/C=C\c1ccc(OCC(F)F)cc1 486103936 ONNHBALFNPUVPR-YVMONPNESA-N 286.281 3.768 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1C#N 571121647 POCMOMCYLUCRKT-LBPRGKRZSA-N 282.318 3.515 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccc(C#N)s1 814945472 XUUIRONROYLCMB-UHFFFAOYSA-N 295.289 3.873 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc(C)s1 812445219 NDOVDIKUBCDOSN-UHFFFAOYSA-N 274.345 3.591 30 20 CHED C=CCN(C(=O)N[C@@H](C)C(C)(C)c1ccccc1)C(C)C 728134391 KWFXTPPSRIOULL-HNNXBMFYSA-N 288.435 3.959 30 20 CHED C=C(C)COC(=O)/C=C(\C)c1ccccc1Cl 727577353 CWUDOVYDJBOQAJ-DHZHZOJOSA-N 250.725 3.863 30 20 CHED N#Cc1c(F)cccc1CSc1nnc(C2CC2)s1 488251365 QKOQPTWVOHUXKS-UHFFFAOYSA-N 291.376 3.719 30 20 CHED Cc1cccc(OC(=O)c2cc3ccccc3n2CC#N)c1 729649803 DKTUVMYBYCYJGK-UHFFFAOYSA-N 290.322 3.693 30 20 CHED Cc1c(NN=C2CCc3c(F)cccc32)cccc1[N+](=O)[O-] 727973359 JAARAUYDKCCEEK-UHFFFAOYSA-N 299.305 3.805 30 20 CHED CC(=NNCC1(C)CCCC1)[C@@H](C)CCCCC(=O)O 814937835 QNQXLMAPVMRGTD-ZDUSSCGKSA-N 282.428 3.813 30 20 CHED Clc1ccc(C=NNCCCOc2ccccc2)cc1 729150110 SIHAMOXPISQQKU-UHFFFAOYSA-N 288.778 3.733 30 20 CHED C=CCCC(=O)N(C)[C@H](C)CSc1ccccc1 650226378 HCRSANCCCXITDJ-CYBMUJFWSA-N 263.406 3.592 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C(C)=C2CCC2)cc1 825688455 LFQXOKJHPLAVBS-UHFFFAOYSA-N 298.386 3.832 30 20 CHED C[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)C1CC1 726479414 YZTFSLLFQBZCOJ-VIFPVBQESA-N 293.823 3.544 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNCCCc2ccccc2)o1 729146452 XVTSZPCYZBCLOK-RHSMWYFYSA-N 282.387 3.959 30 20 CHED Cc1[nH]c(=NCc2ccc(C#N)o2)ccc1-c1ccccc1 576673119 JSEJDSNIJVRHKP-UHFFFAOYSA-N 289.338 3.556 30 20 CHED C=CCCC(=O)OCC(=O)c1sc2ccccc2c1C 726652917 XOTPRGNQKWGWOX-UHFFFAOYSA-N 288.368 3.902 30 20 CHED C#C[C@H](OC(=O)c1ccc(OC)cc1C)c1ccccc1 821612741 HNZAVTAVQHINLC-KRWDZBQOSA-N 280.323 3.535 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCc2ccccc2C1 578631929 FRSJWNANNKCTLX-MRXNPFEDSA-N 271.404 3.510 30 20 CHED C=CCN(C)C(=O)CCCc1ccc(CC(C)C)cc1 490057617 SYCLQDCDEWKJLG-UHFFFAOYSA-N 273.420 3.852 30 20 CHED CSCCON=Cc1ccc(Cl)c(Cl)c1 727411833 QLOXUCNQFMQXGZ-UHFFFAOYSA-N 264.177 3.707 30 20 CHED N#CC1(CCCCn2ccc(C(F)(F)F)cc2=O)CCC1 901549546 ZRDFASWGBXRHLN-UHFFFAOYSA-N 298.308 3.731 30 20 CHED CC(C)[C@@H](CNCCC#N)c1ccc(Cl)cc1 583318017 MCXRKZJNXRNLQS-CQSZACIVSA-N 250.773 3.583 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cc2cc(F)ccc2o1 735468627 QBIFPUKXJHMSKR-UHFFFAOYSA-N 288.322 3.584 30 20 CHED C#CCOc1ccc(CN[C@H](CCC)c2ccccn2)cc1 733327380 USBVRMWTBYPTRY-GOSISDBHSA-N 294.398 3.725 30 20 CHED Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(F)cc1C#N 904800511 YGESIANWTGOTQN-UHFFFAOYSA-N 297.255 3.740 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 589350526 KWSMCIPZMLNCQY-GHMZBOCLSA-N 277.343 3.644 30 20 CHED C(=NNc1cccnn1)c1cccc(Oc2ccccc2)c1 735976445 LHKCDCHCWFZLDZ-UHFFFAOYSA-N 290.326 3.715 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCOc3cc(F)ccc32)c1 834903771 RJWFPIHXJDPIHI-GOSISDBHSA-N 295.357 3.811 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc2[nH]ccc12 495185130 SPOBIPJTNPGARY-UHFFFAOYSA-N 280.371 3.992 30 20 CHED CC(C)c1ccc(NN=Cc2cn(C(C)(C)C)nn2)cc1 835018156 HJMOXMSMOOTLKL-UHFFFAOYSA-N 285.395 3.603 30 20 CHED CON=C(CC(C)C)c1cc(Cl)ccc1OC 735972094 LGSZQIRKFXISQG-UHFFFAOYSA-N 255.745 3.745 30 20 CHED CC(C)CCCCC(=O)Nc1cccc(OCC#N)c1 837350462 SLTUXMAUHXHOGE-UHFFFAOYSA-N 274.364 3.744 30 20 CHED COCOc1ccc(C#N)cc1-c1cccc2c1OCCC2 904883130 XHSRYQKJMQDZJL-UHFFFAOYSA-N 295.338 3.533 30 20 CHED CCC(=NN[C@H](C)C(F)(F)F)c1ccc(Cl)c(N)c1 834998340 FYJUCWYYMHCJLU-SSDOTTSWSA-N 293.720 3.577 30 20 CHED O=C(O)c1ccc(NN=CC2CCCCCC2)cc1F 835010128 PSTZPUVOOSKJAE-UHFFFAOYSA-N 278.327 3.892 30 20 CHED N#CC1(CCCCOC(=O)[C@H]2CC=CCC2)CCC1 908762462 FKDSHTMTYSJYKG-AWEZNQCLSA-N 261.365 3.750 30 20 CHED CC(C)(C)C#CC(=O)N1CCCCC[C@H]1c1ccncc1 837345208 PJUPBMCDGPVSRF-INIZCTEOSA-N 284.403 3.575 30 20 CHED C=CCN(Cc1cccs1)Cc1ccncc1C 583852493 NNGXXNIBSRMOCD-UHFFFAOYSA-N 258.390 3.640 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc3c(c2)OCCO3)c1 916346514 GELYLSGCWVPPAW-UHFFFAOYSA-N 282.343 3.521 30 20 CHED CCOc1ccc(C=NNc2ncccc2Cl)cc1 917549319 LITZTGKNQYBYHL-UHFFFAOYSA-N 275.739 3.580 30 20 CHED Cc1c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cnc2ccccc12 839051840 GRBSJJSQFNOKNI-ZIAGYGMSSA-N 294.354 3.782 30 20 CHED CCOc1ccccc1COC(=O)[C@]1(C#N)CC12CCCC2 837907697 ROKZRYPVIVSBKC-GOSISDBHSA-N 299.370 3.603 30 20 CHED CCCOc1ccc(NC(=O)C#CC(C)(C)C)c(C)c1 837355538 FWSSAUUHSCXKMI-UHFFFAOYSA-N 273.376 3.772 30 20 CHED C[C@H](CC#N)OC(=O)C1=C(c2ccccc2)CCCC1 835158529 HAXWLARYAIOAGP-CYBMUJFWSA-N 269.344 3.860 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(C(F)F)cc2)C1 839051724 OPTAJINKWZZCSK-MFKMUULPSA-N 279.286 3.863 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1cc(C2CC2)no1 594913625 SGWRYNXTYQBSDY-UHFFFAOYSA-N 288.734 3.965 30 20 CHED Cc1ccc(C)c(C=NNc2ccccc2[N+](=O)[O-])c1 916249907 CPTOGFYTJBHWOR-UHFFFAOYSA-N 269.304 3.658 30 20 CHED N#CC[C@@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 595610441 YRSPSCCIBKHSGX-ZDUSSCGKSA-N 299.349 3.606 30 20 CHED C#CC(C)(C)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 742076549 OXBGMHBDCMUJEF-OLZOCXBDSA-N 296.197 3.625 30 20 CHED CC#CCOC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 744980609 IEJAPQALUSLARV-SNVBAGLBSA-N 285.170 3.739 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1nc(C)sc1C 916245048 QKWYDSDCLQPBRR-UHFFFAOYSA-N 290.348 3.504 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCCc1ccc2ccccc2c1 594085180 ITHSDUKZBXYXAX-SFHVURJKSA-N 294.398 3.923 30 20 CHED CC(C)CC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593939137 BWHKQQFYDCXMPA-LSDHHAIUSA-N 286.419 3.678 30 20 CHED N#CCCSCCSc1ccc(F)cc1F 849921068 FIAWZJWTGYJZIW-UHFFFAOYSA-N 259.346 3.704 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)CCCCCC#N 598460267 BIQZQLDRDSLSPN-UONOGXRCSA-N 250.386 3.640 30 20 CHED CC[C@@]1(C)CCCN(c2nc(C#N)c(Cl)s2)C1 596142197 OVLOAQSQQMYMIV-LBPRGKRZSA-N 269.801 3.685 30 20 CHED C=CCCSCCNC(=O)c1ccccc1OC(C)C 597973055 QSBHCLSXVWFJGF-UHFFFAOYSA-N 293.432 3.513 30 20 CHED CCCCCCCOC(=O)c1ccc([N+](=O)[O-])s1 918825897 FEOBOUZVKMIYGF-UHFFFAOYSA-N 271.338 3.784 30 20 CHED C[C@H](NC(=O)c1ccc(C2CC2)cc1)c1ccc(C#N)cc1 596741024 KDYNAQQKXMQRMZ-ZDUSSCGKSA-N 290.366 3.927 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccsc1 594023178 DRBLGLBFMKGYNL-QWHCGFSZSA-N 298.411 3.676 30 20 CHED Cc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)o1 592988241 IJGJBOBYHFBLQI-UHFFFAOYSA-N 267.328 3.827 30 20 CHED C=CCN(C(=S)Nc1ccc(F)cc1F)C(C)C 917589341 RDNQIDXJWBCSPI-UHFFFAOYSA-N 270.348 3.558 30 20 CHED C=CCCCOC(=O)[C@H](C)c1cccc(Cl)c1 745303288 FWPSHIHORCPAHF-LLVKDONJSA-N 252.741 3.953 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C1CC1 749032402 GACAVFOJDUVQGG-LDYMZIIASA-N 288.347 3.658 30 20 CHED C#CCN(CC)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 741913531 NHURJQVANRWGIO-UONOGXRCSA-N 296.197 3.579 30 20 CHED C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1CCCCC#N 595767993 VVKDOKODWVJHPN-CJNGLKHVSA-N 292.810 3.796 30 20 CHED CC(C)CON=Cc1cnc(C2CCCC2)s1 749635939 AJUXXUMTUHPLTA-UHFFFAOYSA-N 252.383 3.807 30 20 CHED CC(=O)c1c(C)cc(C)c(CN2CCC[C@@](C)(C#N)C2)c1C 680105470 UCNIKZKWEQWEKE-IBGZPJMESA-N 298.430 3.940 30 20 CHED C#CCN(CC)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 746515560 DMMIDEBYUSEVBH-JTQLQIEISA-N 284.186 3.579 30 20 CHED CC[C@@H](O)CNN=C1CCC[C@@H](c2ccc(Cl)cc2)C1 841640232 YCBZODAGLVDHJB-CZUORRHYSA-N 294.826 3.714 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 681625640 YFMXZOYBZPXFRX-PASATYPHSA-N 299.439 3.739 30 20 CHED N#CCC1(COC(=O)c2ccsc2C(F)F)CC1 924252438 YSBVZSRDDROEGK-UHFFFAOYSA-N 271.288 3.536 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1[C@H](C)c1ccccc1 928384980 NUFQEQFPCVFQND-NVXWUHKLSA-N 269.388 3.585 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H](C)Oc1ccc(F)cc1 925154325 BHVQOFVFWDDAMZ-QWHCGFSZSA-N 278.371 3.511 30 20 CHED N#C[C@H](OC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)C1CCCCC1 859855505 RMZZUWPYEMQGNR-XLAORIBOSA-N 295.382 3.588 30 20 CHED Cn1ncc2c1CC/C(=C\c1ccccc1C1CC1)C2=O 751031321 HJSOUNMKBHMYAL-GXDHUFHOSA-N 278.355 3.510 30 20 CHED Cc1cc(C)c(NN=Cc2ccccc2C#N)c(C)c1 755751065 USDPEJFGPSXODV-UHFFFAOYSA-N 263.344 3.930 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(C)noc2C(C)C)C1 855440406 JDYDFMACNNTUKP-ZDUSSCGKSA-N 276.380 3.535 30 20 CHED CCCC(C)=NNc1nc(C(F)(F)F)cs1 755903210 HUXRWPUQVGIWQB-UHFFFAOYSA-N 251.277 3.750 30 20 CHED CCCCO[C@@H]1CC(=NNc2ncc(Cl)cn2)C1(C)C 857221105 UURNIAFNWDMBSM-GFCCVEGCSA-N 296.802 3.513 30 20 CHED C#CCOc1cccc(NC(=O)c2cccc(C)c2Cl)c1 754838742 OLDSPKNZOMVIQX-UHFFFAOYSA-N 299.757 3.913 30 20 CHED C[C@@H]1Cc2cc(CNc3cccc(CC#N)c3)ccc2O1 922166564 GEJXGOXDBREHPF-CYBMUJFWSA-N 278.355 3.688 30 20 CHED Cc1ccc(N2CCN(CCCC(C)(C)C#N)CC2)c(C)c1 852742860 OMGQMVAGBFRSPL-UHFFFAOYSA-N 299.462 3.755 30 20 CHED Cc1ccnc(NN=Cc2cccc3ccccc23)c1 755901510 WQXIAYVODDJBRA-UHFFFAOYSA-N 261.328 3.989 30 20 CHED C=C(Cl)CSCc1cnn(-c2ccccc2)c1 759165200 AQUGMSKQAKKLOJ-UHFFFAOYSA-N 264.781 3.858 30 20 CHED CC1(C)CCC[C@H](C=NNc2ccc(Cl)nn2)C1 752717753 JFNGUOFUQVZYPW-JTQLQIEISA-N 266.776 3.744 30 20 CHED C#CCCCCCC(=O)OCC(C)(C)CSC 851171625 XDRVRCNOONHSMM-UHFFFAOYSA-N 256.411 3.503 30 20 CHED Cc1ccc(C=NN2CCCC[C@H]2C)c(-c2cnn(C)c2)c1 853381818 MJGKHJNWRWFPSR-OAHLLOKOSA-N 296.418 3.604 30 20 CHED Cc1cc2cc(C=NO[C@H]3CCCCO3)oc2cc1C 755823326 YYYDTVBHEOSVBO-INIZCTEOSA-N 273.332 3.927 30 20 CHED Cn1nc(/C=C2\CCCC(C)(C)C2=O)c2ccccc21 853007250 RYIATXIFSQXMEX-VAWYXSNFSA-N 268.360 3.736 30 20 CHED N#CC1(CC(=O)O[C@H]2CCCc3cccnc32)CCCCC1 851103599 POCGHNGAASJSJQ-HNNXBMFYSA-N 298.386 3.866 30 20 CHED C=CCC1(NC[C@@H](O)c2ccc(F)cc2F)CCCCC1 859744275 BLQLWEMRECJXRQ-MRXNPFEDSA-N 295.373 3.867 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1ccccc1N1CCCC1 930412247 NIZNYPFJHDLPEY-HNNXBMFYSA-N 286.419 3.505 30 20 CHED N#CC[C@H]1CCCN(Cn2ccc(=S)c3ccccc32)C1 853525069 RTOYPKBFVYJCLX-CQSZACIVSA-N 297.427 3.954 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2ccc(C#N)[nH]2)cc1 752503093 YYLFQOIIFGFJEA-RDJZCZTQSA-N 294.354 3.688 30 20 CHED C#CCC(C)(C)C(=O)NCCc1ccc(C(C)C)cc1 767046770 MCSYBMKHFQYGDJ-UHFFFAOYSA-N 271.404 3.518 30 20 CHED CCc1ccc(C=NNCc2ccc(Cl)cc2)o1 864026777 CKSOZUKPEMZFKW-UHFFFAOYSA-N 262.740 3.619 30 20 CHED C#CCN(C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C)C1CC1 764734768 NKZFWJHLYSASJJ-KRWDZBQOSA-N 298.430 3.889 30 20 CHED CCCCCCCCCNC(=O)NCc1ccc(F)cn1 764352165 RCRFEQQWYYDVRZ-UHFFFAOYSA-N 295.402 3.771 30 20 CHED CN(CCCc1ccccc1)C(=O)Nc1sccc1C#N 931841111 AEVSTKDCBYWFQN-UHFFFAOYSA-N 299.399 3.716 30 20 CHED CC[C@H](NCCCSCC#N)c1cc(F)ccc1OC 932475465 UUAIGQRMQIFZFX-AWEZNQCLSA-N 296.411 3.522 30 20 CHED C#CCCCN[C@H]1CCSc2c(Cl)cccc21 766233848 SFZXCFFXWRUETQ-ZDUSSCGKSA-N 265.809 3.880 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1nc(C2CC2)cs1 767118055 PSTMTEIAVUBLCN-LLVKDONJSA-N 277.389 3.818 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc2cc(F)c(F)cc2s1 767076867 VAYHDCDPJVEGCC-UHFFFAOYSA-N 294.326 3.563 30 20 CHED CC1CC(C#N)(C(=O)N(C)c2ccc(C(C)C)cc2)C1 763741521 CDAQEGFARKKFNH-UHFFFAOYSA-N 270.376 3.713 30 20 CHED C#C[C@H](CC)OC(=O)c1csc(-c2ccccc2F)n1 768050155 PEKIODILSNOKRQ-SNVBAGLBSA-N 289.331 3.518 30 20 CHED CCCOc1ccc(Br)cc1C=NOCC 767461837 KDTUWSADZBKZFN-UHFFFAOYSA-N 286.169 3.608 30 20 CHED C#CCCCCCC(=O)NCc1cc2cccc(OC)c2o1 1116508100 AAPVFMPDPVGFLA-UHFFFAOYSA-N 299.370 3.641 30 20 CHED CC[C@@H](C#N)NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1116683241 USTKPYGBTGMQEW-JTQLQIEISA-N 299.201 3.689 30 20 CHED C[C@H](NCc1cccn1C1CC1)c1ccc(C#N)cc1 1119340250 VCIAJYIQYCNZDX-ZDUSSCGKSA-N 265.360 3.545 30 20 CHED N#Cc1ccc(CNN=Cc2cc3cc(F)ccc3o2)cc1 769821567 SROSWVXSHGGWEI-UHFFFAOYSA-N 293.301 3.567 30 20 CHED C=CCCC(=O)COC(=O)c1cc2cc(Cl)ccc2[nH]1 761375110 BXPDTRINOZBVHQ-UHFFFAOYSA-N 291.734 3.513 30 20 CHED CC#CCCOC(=O)c1sc(-c2ccc(C)o2)nc1C 760284913 UKFGTOQZFUHYNR-UHFFFAOYSA-N 289.356 3.590 30 20 CHED C=CCNC(=S)N1CCC[C@H]1c1cc(C)ccc1C 761818632 PJFLEJBUOFWFLM-HNNXBMFYSA-N 274.433 3.501 30 20 CHED COc1cc(C#N)ccc1COC(=O)/C=C(/C)C(C)(C)C 766901128 SUAAZWZTYAVRGT-WQLSENKSSA-N 287.359 3.602 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCCc2sccc21 879505789 JACRYJJDFYGEJL-GFCCVEGCSA-N 263.406 3.844 30 20 CHED N#Cc1ccc(CNN=C2CCCCCCC2)cc1 769820515 HIDDDCAXCIXXHF-UHFFFAOYSA-N 255.365 3.748 30 20 CHED CC[C@@H](C)c1nnc([C@H](C)Oc2ccc(C#N)cc2)o1 1117240215 OUSPUUICUZJORZ-MNOVXSKESA-N 271.320 3.595 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1C[C@@H]1C1CCCCC1 1116273672 LONMBSMJGJDSON-QZTJIDSGSA-N 281.399 3.513 30 20 CHED C=C(C)CCN(C)C1CCC(NC(=O)OC(C)(C)C)CC1 775615034 PSXNWBCYSMXAAO-UHFFFAOYSA-N 296.455 3.720 30 20 CHED N#CCC1(CN2CCC(c3cccc(F)c3)CC2)CC1 878168919 XOANJMLOEQELIR-UHFFFAOYSA-N 272.367 3.699 30 20 CHED CO[C@@H]1[C@H](C)[C@H](/N=C\c2cc(Cl)ccc2O)C1(C)C 775629424 HOTUNEGUBUWLHI-JCZRPPOCSA-N 281.783 3.524 30 20 CHED N#Cc1cc(-c2nnc(CC3CCCC3)o2)ccc1Cl 1117228414 WTTPYSBDYPJIII-UHFFFAOYSA-N 287.750 3.994 30 20 CHED C#C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1F 877517235 MTKPDXPNPAOUGP-IUODEOHRSA-N 295.785 3.701 30 20 CHED Cc1ccccc1C1(NC(=O)c2cccc(C#N)c2C)CC1 1118208424 LEOWMEKWXIBSMS-UHFFFAOYSA-N 290.366 3.594 30 20 CHED C=CCC[C@@H](NC(=S)N[C@H](C)CC)c1ccccc1 771851909 WOLBBJWRMWAVQU-UKRRQHHQSA-N 276.449 3.957 30 20 CHED CC(C)(CC#N)COC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 870287773 WLUFWDKZEFVRQO-MNOVXSKESA-N 291.313 3.838 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)CN(C)c2ccccc21 779966499 GAYRZTFLDUWFBB-MRXNPFEDSA-N 298.430 3.689 30 20 CHED Cc1cc(C(=O)OCc2cccc(C#N)c2F)c(C)s1 774906292 CYJFYVAXIGYEDW-UHFFFAOYSA-N 289.331 3.733 30 20 CHED C#CCCCCC(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C 773585905 AREIOFTZDRUUJJ-ZIAGYGMSSA-N 287.378 3.854 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 775265208 ZYDRWPMFUVZCJD-KBPBESRZSA-N 288.391 3.649 30 20 CHED CC(C)N(CCC(C)(C)C#N)Cc1ccc(N(C)C)cc1 776580648 YHKLXTWMOGXMDB-UHFFFAOYSA-N 287.451 3.903 30 20 CHED O=C1/C(=C/c2nc3c(s2)CCCC3)Cc2ccc(F)cc21 776264745 IATDELZDYCEGQM-DHZHZOJOSA-N 299.370 3.983 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CCC=C)c2ccccc2)cn1 772170603 VYIORXFTXQRSQY-SFHVURJKSA-N 290.366 3.500 30 20 CHED COc1ccc2c(c1)CCCC2=NOCCC(C)(C)C#N 777752007 UNTYOPBARWOSIX-UHFFFAOYSA-N 286.375 3.692 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C[C@@H]2CCc3ccccc3C2)C1 1129609255 QUHCJBOVXCQRSK-IIDMSEBBSA-N 297.398 3.807 30 20 CHED CC(C)(C#N)CCOC(=O)C1(c2ccccc2)CCC1 776365341 SNLDZOFXJGIVRI-UHFFFAOYSA-N 271.360 3.591 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1CCNc2ccccc21 1122374519 RZZZRTAEDBAQLC-HZPDHXFCSA-N 298.430 3.933 30 20 CHED COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1C 785617136 ZRGRFQGVMUAGHL-SFHVURJKSA-N 292.382 3.652 30 20 CHED CC1(C)CC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 781771273 CIVWVTFTFSEVAT-VXGBXAGGSA-N 282.343 3.830 30 20 CHED C=CC(C)(C)CC(=O)OC[C@@H]1CCO[C@@H]1c1ccccc1 1122738638 VDDWAKVKDPJVMD-DOTOQJQBSA-N 288.387 3.910 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)c1cccc(F)n1 1122631965 MIZVRVHVVHBWJD-DZGCQCFKSA-N 296.345 3.899 30 20 CHED CC1(C=NOCc2ccc(F)cc2Br)CC1 782281647 DQCMMFVTRCWNGX-UHFFFAOYSA-N 286.144 3.891 30 20 CHED Cc1cc(C=NN[C@@H]2CCCC2(C)C)c(C)s1 782287514 MCUROUQVRNLOTH-CYBMUJFWSA-N 250.411 3.867 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@H](c1ncccn1)C1CCCC1 1122798613 SKYSJUKNDWZIEX-BBRMVZONSA-N 288.391 3.853 30 20 CHED COCCC1(C=NOC2CCCC2)CCCCC1 780237638 UBYMTPIKHOCYPP-UHFFFAOYSA-N 253.386 3.918 30 20 CHED CCc1onc(C)c1/C=C1\CCc2ccc(OC)cc2C1=O 899360739 OSVSKKURCVALJT-UKTHLTGXSA-N 297.354 3.767 30 20 CHED Fc1cc(NN=Cc2cccc(Cl)c2Cl)ccn1 781128352 VIJQJXFZEPGKIT-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ncccc1CCCCOC 899137115 URPUTZMHHNDSQD-AWEZNQCLSA-N 290.407 3.592 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@@H](CC)c1ccc(C)cc1 791201779 LZRZITXMFDMBCN-NVXWUHKLSA-N 271.404 3.797 30 20 CHED CC[C@H]1[C@@H](C)CCN1c1nc(C(F)(F)F)ccc1C#N 185930150 HVRAODUYIWTJFZ-ONGXEEELSA-N 283.297 3.597 30 20 CHED CN(C(=O)[C@@H](F)CC1CCCCC1)c1ccc(C#N)cc1 796733298 PMDMBFMDESVKRE-INIZCTEOSA-N 288.366 3.830 30 20 CHED FCC[C@@H]1CCCC1=NNc1nc2cc(F)c(F)cc2[nH]1 794889177 VHPQCWNBVDDDBN-QMMMGPOBSA-N 296.296 3.769 30 20 CHED COc1ccsc1/C=C1\CCc2ccc(O)cc2C1=O 794960019 INYCCZVBDYXCIG-DHZHZOJOSA-N 286.352 3.675 30 20 CHED C#C[C@H](C)OC(=O)c1ccc2nc(-c3ccccc3)oc2c1 796729737 YUZLTIWANBTQHW-LBPRGKRZSA-N 291.306 3.673 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@H]2CCC(F)(F)C2)cc1 797586562 HEZGIZSUOQAEJT-KBPBESRZSA-N 293.357 3.785 30 20 CHED CCCCCCC[C@H](C)NC[C@@H]1CCCN(C(C)=O)C1 793290374 FYAQPVGDQIDQSE-RDJZCZTQSA-N 282.472 3.584 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)C2CCCCC2)cc1C#N 799340248 BHNHXBLUZGJFHS-ZDUSSCGKSA-N 270.376 3.565 30 20 CHED COCCN(C)N=C1CCCc2c1sc1ccccc21 794967696 JFLJUYYXWLFDAN-UHFFFAOYSA-N 288.416 3.520 30 20 CHED CSc1cccc(COC(=O)c2cc(C#N)oc2C)c1 797964038 CEBCTJRDWCDXNW-UHFFFAOYSA-N 287.340 3.539 30 20 CHED FCC[C@H]1CCCC1=NNc1nncc2ccccc12 794860253 OCDQOYJHTYGNKK-LLVKDONJSA-N 272.327 3.557 30 20 CHED CSCCON=C1C[C@@H]2CCCc3cccc1c32 794573498 DKZFKDIWEAKDKL-LBPRGKRZSA-N 261.390 3.594 30 20 CHED CCCC[C@@H](C)[C@H](C)NCc1cccc(OCC#N)c1 1323664921 QFPLEHBKXXRRSW-CABCVRRESA-N 274.408 3.893 30 20 CHED C=CCCO[C@H](C)C(=O)NC[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1324478314 JZFSVNFHADREGS-VVLHAWIVSA-N 295.467 3.792 30 20 CHED C=CCCO[C@H](C)C(=O)NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1324478313 JZFSVNFHADREGS-NCOADZHNSA-N 295.467 3.792 30 20 CHED N#Cc1cncc(SCc2cccc3ccccc23)n1 1185055048 MIMUVWGJXMRJEO-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CC1(C)CC(c2nnc(-c3cccc(C#N)c3)o2)C1 1325827191 AYTANNFDWUHMLL-UHFFFAOYSA-N 253.305 3.512 30 20 CHED CCC(CC)(C(=O)N(C)[C@@H](C)CC#N)c1ccccc1 1338414978 PHVWPHJSNLMQFN-AWEZNQCLSA-N 272.392 3.505 30 20 CHED Cc1nc(C#N)cc(NCC(C)(C)C2CCCCC2)n1 1650883133 KVEVRVVNEBPGHI-UHFFFAOYSA-N 272.396 3.675 30 20 CHED N#CCC[C@@H](C#N)CN[C@@H](C1CCCCC1)C1CCC1 1336799722 LZDPMRGGDIOJGL-YOEHRIQHSA-N 273.424 3.769 30 20 CHED CCN(CCC#N)c1ccnc(-c2cccc(Cl)c2)n1 1332235420 NPLVBOHALLIVFB-UHFFFAOYSA-N 286.766 3.537 30 20 CHED Cc1ccc(NCCO[C@H](C)C#N)c(Cl)c1Cl 1344745033 PLCYLMXROZKRGV-SECBINFHSA-N 273.163 3.642 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)Cc1ccccc1Cl 1344076541 UMUQTCKNLQANFM-MAZHCROVSA-N 279.811 3.594 30 20 CHED C=C(C)CCC(=O)N(Cc1cccs1)C[C@H]1CCCO1 1347092367 CLDWZAUVRYPZKS-CQSZACIVSA-N 293.432 3.612 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CCC[C@H](CC)C1 1359149134 OPNVXAYYDVSMOF-LBPRGKRZSA-N 294.830 3.534 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2ccsc2C#N)c1 1457813307 RRPOYQLKNFDIMK-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCc1ccc(NC(=O)c2ccc(C#N)cc2OC)cc1C 1526102959 KCCLFXDBJXKDIU-UHFFFAOYSA-N 294.354 3.690 30 20 CHED CC1(C)CCC(CNC(=O)c2csc(C#N)c2)CC1 1527965105 WPUVVYGNTQSYMN-UHFFFAOYSA-N 276.405 3.566 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccccc1C 1526676978 WXGQPVUHTGVJFR-AWEZNQCLSA-N 258.365 3.958 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CC[C@@H](C)C[C@H]1C 1538683896 IZCFSANFAVSJQA-AXAPSJFSSA-N 271.360 3.848 30 20 CHED O=C1/C(=C\c2ccoc2C(=O)O)[C@H]2CCCc3cccc1c32 1610881784 GHMQWKKWGQOTRK-OJLMPMFISA-N 294.306 3.678 30 20 CHED C[C@H](CC#N)N[C@H]1CCCC[C@H](c2ccccc2)C1 1474251078 QWKJDNCBEFYLFQ-PVAVHDDUSA-N 256.393 3.995 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2csc(Cl)c2)c1 1535455213 HHBPZMRMDDQVRE-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=C(Br)CN1c2ccccc2N(C)CC[C@@H]1C 1559600982 NRCPDKDBOACTSC-LBPRGKRZSA-N 295.224 3.630 30 20 CHED Cc1cc(N2CCc3c(Cl)cccc32)ncc1C#N 1559140091 XWVNHAMVVYTWHB-UHFFFAOYSA-N 269.735 3.609 30 20 CHED CC(C)[C@@]1(C)C[C@H]1Nc1nc(C#N)c(Cl)s1 1640004883 SPPYFFMWOBSMFT-LDYMZIIASA-N 255.774 3.515 30 20 CHED N#Cc1cnc(NCC[C@H]2CCc3ccccc32)c(F)c1 1642740811 UDWYPIQBXBGBII-CQSZACIVSA-N 281.334 3.624 30 20 CHED Cc1ccc(Cl)cc1N(C)Cc1cc(C#N)ccn1 1658809710 VZZJCEARXRPDQY-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1583323734 KRMZMSDLOGMFFQ-GFCCVEGCSA-N 288.391 3.966 30 20 CHED COC(=O)c1cc(CSc2ccc(C#N)cc2)cs1 1651772105 QSGUVTVSHYKSJE-UHFFFAOYSA-N 289.381 3.699 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)c1ccccc1F 1653972254 AEQJPRDFVLDFII-ZDUSSCGKSA-N 296.345 3.573 30 20 CHED C=CCC[C@@H](CC)NC[C@H](CC1CCCC1)C(=O)O 1588777961 NVOAJFUSMSEVII-LSDHHAIUSA-N 267.413 3.602 30 20 CHED CC(C)(C)CC(=NNc1ccccc1C(=O)O)C1CC1 1776030477 DEUHQXVZTRXEKR-UHFFFAOYSA-N 274.364 3.999 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cccc(CC(=O)O)c1 1777465343 UIKKCICCGSMZPJ-KTKRTIGZSA-N 280.323 3.518 30 20 CHED C=C(C)CCCN(CC(=O)O)[C@H](CC)c1ccccc1 1776138556 CQASHPJRVWAIPO-MRXNPFEDSA-N 275.392 3.881 30 20 CHED CCN(CC)CCC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 19914947 DHTJGZHEAHXZCR-JKSUJKDBSA-N 287.451 3.719 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@@H]1C 162935639 LBLFGPQQAPTWCJ-RYUDHWBXSA-N 262.784 3.690 30 20 CHED CC(=O)c1ccc(OCc2ccc(F)c(C#N)c2)cc1F 158596463 AWJJZRKZNRSZGH-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C[C@@H]1CCCCN1CCC1CCN(CCCCC#N)CC1 158946652 RTQDPCYFWHYLRM-QGZVFWFLSA-N 291.483 3.657 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 151053560 PJYDUGBIYUPRBL-CRAIPNDOSA-N 299.414 3.743 30 20 CHED CC(C)[C@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 153170649 VTLHODLCCDZFAB-ZBFHGGJFSA-N 272.392 3.830 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCCC1(C)C 157006184 RMNQETVGRPYGEV-MRXNPFEDSA-N 299.418 3.668 30 20 CHED N#Cc1csc(CN2CC[C@H](Cc3ccccc3)C2)c1 155102096 YWSFSYBJAIVFFB-OAHLLOKOSA-N 282.412 3.684 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@H]1C 154177433 QLGBGYBUORSNFU-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C=CCN(C)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 157391992 CCJDYFKRXGBECW-UHFFFAOYSA-N 287.363 3.775 30 20 CHED COC(=O)[C@H](Sc1cccc(C#N)c1)c1ccccc1C 156897007 SSLAPPVEUZGDCU-MRXNPFEDSA-N 297.379 3.873 30 20 CHED CN(Cc1ccc2ccccc2c1)CC1(C#N)CC1 258965325 SHLJRPDPWQKHSU-UHFFFAOYSA-N 250.345 3.575 30 20 CHED COCCc1ccc(Oc2nccc(C#N)c2Cl)cc1 234693047 IIYAAUMPUUKCBG-UHFFFAOYSA-N 288.734 3.588 30 20 CHED COc1cc(CN[C@H]2CCCC(C)(C)C2)ccc1C#N 234951881 ZOFWKQSYUPQPDV-HNNXBMFYSA-N 272.392 3.625 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCOc2ccc(F)cc21 925382620 LUZUKKCJRQGAIS-BXUZGUMPSA-N 276.355 3.567 30 20 CHED CCCCCCCCCCC(=O)N[C@H]1CCN[C@@H](C)C1 834678619 YVBQIOHIBITIGB-HOTGVXAUSA-N 282.472 3.774 30 20 CHED C[C@@H]1CC[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)O1 127902877 FVRMVLHLSXWLCX-KOLCDFICSA-N 284.281 3.556 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2CCCc3sccc32)c1 136411268 ZYBJJIVNCNPQDG-AWEZNQCLSA-N 282.368 3.678 30 20 CHED CCc1noc(C)c1COc1ccc(C#N)cc1Cl 155441262 UYBMJKHAWMIPDC-UHFFFAOYSA-N 276.723 3.650 30 20 CHED N#CC1(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CCCCC1 155959737 IVRNKKGSPGTHTJ-GJZGRUSLSA-N 274.408 3.545 30 20 CHED N#CCc1ccc(N[C@@H]2Cc3ccc(Cl)cc3C2)cc1 158877081 AYESODGJISXHSQ-QGZVFWFLSA-N 282.774 3.985 30 20 CHED N#Cc1ccc(N2CCC([C@@H]3CCCO3)CC2)cc1Cl 275798553 CTWSSBGXPXBRAC-INIZCTEOSA-N 290.794 3.607 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(Br)c1C 185628979 VPCTUXDRURJYRV-UHFFFAOYSA-N 294.192 3.746 30 20 CHED CS[C@@H]1CCCCN(c2ccc(Cl)cc2C#N)C1 301797333 UISYTFSNGFLODA-CYBMUJFWSA-N 280.824 3.934 30 20 CHED CCC(CC)n1ccc(CNc2ccc(C#N)cc2)n1 69992308 LKVBLQRBPCCPBN-UHFFFAOYSA-N 268.364 3.728 30 20 CHED C=CCOCCN[C@H](CC)c1ccc(Cl)s1 310014368 KERTYLLCGIXAKS-SNVBAGLBSA-N 259.802 3.645 30 20 CHED Cc1ccc(CNc2cccc(CC#N)c2)c(C)c1 313483228 UDTGXFVWZGHSNG-UHFFFAOYSA-N 250.345 3.982 30 20 CHED C=CCCCC(=O)N(CC(=C)C)Cc1ccccc1 470646470 KIKLXLCAPBNTTE-UHFFFAOYSA-N 257.377 3.948 30 20 CHED C=CCCCCNCc1cnc(C)n1-c1ccccc1 336831088 CQDBNUONKQFRMF-UHFFFAOYSA-N 269.392 3.627 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC=CC[C@H]1C 285037933 SSEYSYIXPXJCIQ-ZIAGYGMSSA-N 262.397 3.520 30 20 CHED Cc1ccc(CSCCNCc2cccc(C#N)c2)cc1 57600770 TXVZLWJKCUSTAR-UHFFFAOYSA-N 296.439 3.890 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)Nc2sccc2C#N)C1(C)C 57984531 RCJZCIJWJRHXSS-RYUDHWBXSA-N 274.389 3.797 30 20 CHED CCCCCC[C@H](C)C(=O)NC1(C#N)CCCCC1 173372218 RSPBWCHDNQDPJS-AWEZNQCLSA-N 264.413 3.936 30 20 CHED CCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 101750661 MUFFTLOVXYGTKW-UHFFFAOYSA-N 295.342 3.834 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@H]2C2CCCC2)c1 56587220 NTHKDXBWPLMUCH-KRWDZBQOSA-N 282.387 3.854 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C[C@H](c1ccccc1)C(C)C 103070822 MFTMSVXVSBBRTM-RDJZCZTQSA-N 286.419 3.824 30 20 CHED C[C@@H]1CCC[C@H](Nc2ncc(Br)cc2C#N)C1 310067922 CEWIMWSBCVIIHU-SKDRFNHKSA-N 294.196 3.706 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 110364111 LXNFWDUNAJEVIZ-STQMWFEESA-N 289.341 3.780 30 20 CHED N#CCN(C(=O)/C=C/c1c(Cl)cccc1Cl)C1CC1 67686766 SZKHTQOKCZAYMI-VOTSOKGWSA-N 295.169 3.521 30 20 CHED Cc1ccc(N2CCC[C@@H](NCC(C)(C)CCC#N)C2)cc1 174589276 DBDGWSYMXNBJBX-QGZVFWFLSA-N 299.462 3.883 30 20 CHED C=CCOCCCC(=O)Nc1ccc(Cl)c(Cl)c1 173019384 YQJOPGLAYVSMRV-UHFFFAOYSA-N 288.174 3.915 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@H]1C=CCCC1 111190877 QTCMKFSINKFPKO-KRWDZBQOSA-N 254.377 3.879 30 20 CHED O=C1C(=Cc2cccc(Cl)c2F)C(=O)c2ccccc21 178028333 PGNYVYMHFGMJIT-UHFFFAOYSA-N 286.689 3.942 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)c1cn(C)nc1C 171079834 VIWLTPTUASRDEG-ZDUSSCGKSA-N 279.428 3.656 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H]2CCc3ccccc32)c1 111717856 OPIBBHNULRSBTC-MRXNPFEDSA-N 290.366 3.519 30 20 CHED Cc1nc(C)c(CCNc2ccc(Cl)cc2C#N)s1 301203413 NTUVQZURJPIFNY-UHFFFAOYSA-N 291.807 3.940 30 20 CHED CC(C)[C@@H]1CCc2ccccc2N1Cc1cc(C#N)ccn1 1193022412 UAWGPLOCDKUVPP-SFHVURJKSA-N 291.398 3.931 30 20 CHED N#CC1(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)CCCC1 110576354 WYSZJDGTRMHDDN-JKSUJKDBSA-N 282.387 3.523 30 20 CHED C[C@H](NCCc1c(F)cccc1F)c1ccc(C#N)cc1 173963445 GNTFRHCCNKOLBR-LBPRGKRZSA-N 286.325 3.730 30 20 CHED Cc1cccc(NC2CCN(CCC(C)(C)C#N)CC2)c1 119683212 LLHPGMJASOBGNI-UHFFFAOYSA-N 285.435 3.811 30 20 CHED C[C@H](CNc1cccc(C#N)n1)Sc1ccccc1 301470841 OZSQANRONXBTTN-GFCCVEGCSA-N 269.373 3.546 30 20 CHED C[C@H](C#N)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 68924996 SXZOUANUXKCRTR-CZUORRHYSA-N 296.395 3.548 30 20 CHED CCCCn1ncc(Nc2cccc(F)c2C#N)c1C 301784710 OKYAMCYMNYBMNL-UHFFFAOYSA-N 272.327 3.746 30 20 CHED C[C@@H]1CCCN([C@H](C)CNc2ccc(C#N)c(Cl)c2)C1 303542293 YRUIAEPCXSQWQD-CHWSQXEVSA-N 291.826 3.744 30 20 CHED CCOc1ccccc1CN(CCC#N)CC(C)(C)C 353419887 DFTTZLSZIPCVBU-UHFFFAOYSA-N 274.408 3.847 30 20 CHED C#CCCCCNC(=O)Nc1cc(C)ccc1Cl 120666678 OUUSZWGMFLJOIC-UHFFFAOYSA-N 264.756 3.573 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(C)c2ccccc2oc1=O 179790858 KJSCFRDKUNMWPE-LBPRGKRZSA-N 299.370 3.576 30 20 CHED Cc1ccc(N(C(=O)c2cc(C#N)cs2)C(C)C)cc1 177020665 YLDFZFPHORQXCK-UHFFFAOYSA-N 284.384 3.983 30 20 CHED C#CCCCCC(=O)Nc1cc(F)ccc1OC(F)F 120275627 CVIYWHJOHJHHPA-UHFFFAOYSA-N 285.265 3.559 30 20 CHED N#Cc1ccc(CNC(=O)NCCCC2CCCCC2)cc1 61921957 JEEYKRVLAHAZJR-UHFFFAOYSA-N 299.418 3.718 30 20 CHED C=CCOc1ccc(-c2nnc(SCC(=C)C)o2)cc1 126265773 IJXVHOPTPWEOGK-UHFFFAOYSA-N 288.372 3.970 30 20 CHED C=CCC[C@H](NC[C@H](C)c1nc(C)cs1)C1CC1 186574388 IUPZKVCCZRWMAS-FZMZJTMJSA-N 264.438 3.889 30 20 CHED C[C@@H](C/N=C(/N)NC1CCCCCC1)Cc1cccs1 305750673 ZYFLIAKLSYCLDW-CYBMUJFWSA-N 293.480 3.554 30 20 CHED C#CCCCCC(=O)Nc1cccc(C)c1Br 123516187 LVYCWSDFJGVEMS-UHFFFAOYSA-N 294.192 3.890 30 20 CHED C=C(C)CN[C@@H](c1ccccc1)c1nc2ccccc2n1C 126102388 SKZADEBHWMSAGV-SFHVURJKSA-N 291.398 3.828 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCc1c[nH]c2ccccc12 188331539 VUHVHJZRQBXUDO-GOSISDBHSA-N 284.403 3.819 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1cccc(OC(F)F)c1 185131011 KQBIEVFABSKAMM-GFCCVEGCSA-N 295.329 3.659 30 20 CHED C[C@@H](Nc1ccc(-n2cccn2)cc1)c1cccc(C#N)c1 315487693 MARPBMVXKATXLE-CQSZACIVSA-N 288.354 3.917 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@H]1C 184685740 CIJOGYPYRYNRKE-RISCZKNCSA-N 256.349 3.632 30 20 CHED C#C[C@H](C)NC(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 186044814 BWIPSSGZXUBIBW-KBPBESRZSA-N 298.386 3.937 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1cccc(OC(F)(F)F)c1 411473601 KQBANQLFEHDIFC-QWRGUYRKSA-N 286.297 3.928 30 20 CHED CCC(CC)CN(CC)C(=O)c1c(F)cc(C#N)cc1F 120247477 XRJPJKLZRYCVLJ-UHFFFAOYSA-N 294.345 3.735 30 20 CHED CCCCCCCCC(=O)Nc1ccc(F)c(C(N)=O)c1 121661213 IQEWFIVQLBNCKW-UHFFFAOYSA-N 294.370 3.614 30 20 CHED C=C(C)CCc1noc(CCCc2ccccc2)n1 508635769 YYMZTNVKGDVJLV-UHFFFAOYSA-N 256.349 3.754 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ccc(COC)o1 414537557 PIGLNBFYPTUCIH-MRXNPFEDSA-N 285.387 3.703 30 20 CHED C#CCCCCC(=O)N1CCCc2c(C)ccc(F)c21 121145172 FGJDJSHWYBXTON-UHFFFAOYSA-N 273.351 3.607 30 20 CHED C[C@@H](N[C@H]1CCC[C@@H]2C[C@H]12)c1ccc(C#N)c(F)c1 414214795 TXSDVURYGUWPOY-ILHHOCCXSA-N 258.340 3.537 30 20 CHED CC(C)c1ncc(/C=C2/Cc3c(O)cccc3C2=O)s1 125306483 MSDBNOLCDODZGQ-POHAHGRESA-N 285.368 3.795 30 20 CHED CC1(C)C[C@@H](NCc2ccc(C#N)o2)c2ccccc21 129442178 PKWMMHUAXPVZFF-MRXNPFEDSA-N 266.344 3.663 30 20 CHED C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 122774234 GUBYZDYZPHHFDN-KEYYUXOJSA-N 299.418 3.839 30 20 CHED C=CC[C@@H](C(=O)N1CCS[C@H](CC)C1)c1ccccc1 189970382 GBVXGXLGCFVVGA-HZPDHXFCSA-N 289.444 3.700 30 20 CHED C=CCCC(=O)N(Cc1ccc(F)cc1)C(C)(C)C 123671406 HIUMTQQGJZHRMP-UHFFFAOYSA-N 263.356 3.919 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(SC)cc1 125940777 AZEVIVJGTYIVDQ-CYBMUJFWSA-N 292.448 3.634 30 20 CHED CC(=O)c1ccc(C)cc1OCCOc1ccc(C#N)cc1 73091179 JPPPDLLQRUCQHK-UHFFFAOYSA-N 295.338 3.527 30 20 CHED C=CCCCC(=O)Nc1ccc(OC(C)C)c(OC)c1 183917588 RHINLXZFVLDBQM-UHFFFAOYSA-N 277.364 3.777 30 20 CHED C=C(C)CSCCC(=O)N1CCCc2ccccc21 507110772 LUXXBIQCMMYHTQ-UHFFFAOYSA-N 275.417 3.665 30 20 CHED CCn1cc([C@H](C)N[C@H](CCC#N)c2ccccc2)cn1 181578356 UOFPFWJLCKKLPT-WMLDXEAASA-N 282.391 3.599 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC/C=C/c1ccncc1 418138330 CQNHUDXUJBEFLR-LSTKMXGYSA-N 289.382 3.634 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(F)(F)F)cc1 410134474 AKAWBJKDEOPDTG-LBPRGKRZSA-N 271.282 3.790 30 20 CHED CCCc1nc(CSCc2ccc(C#N)cc2C)no1 186081974 NNOJCIYGVZZJJY-UHFFFAOYSA-N 287.388 3.636 30 20 CHED C=CCC[C@H](NC(=O)c1csnc1C)c1ccccc1 182276468 WUFDAIAXRBWOOW-HNNXBMFYSA-N 286.400 3.889 30 20 CHED Cc1ccc(OCCCCNc2ncccc2C#N)cc1 76834621 JRGOEBGQIMMKLH-UHFFFAOYSA-N 281.359 3.533 30 20 CHED C=CCN(CC=C)C(=O)Cc1ccc(Cl)cc1Cl 47465466 IOSXIJYRQJBPKM-UHFFFAOYSA-N 284.186 3.737 30 20 CHED Cc1nnc(SCCCc2ccccc2)c(C#N)c1C 182727462 PQMJVVYSBOPMGX-UHFFFAOYSA-N 283.400 3.690 30 20 CHED N#Cc1ccc(NCCC(F)(F)F)cc1Br 228186945 NQPNIVHGBMJLQC-UHFFFAOYSA-N 293.086 3.685 30 20 CHED COc1cc(C#N)ccc1NC(=O)CCC1CCCCC1 130210739 UGLWNTBPFWRVEH-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc(F)cc2)n1 508668071 WIOLIEUBWNTHOG-POHAHGRESA-N 258.296 3.888 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CC12CC2 417337973 MIBRGFQEJDLSAY-RDJZCZTQSA-N 266.388 3.715 30 20 CHED N#Cc1ccc(SCCCO[C@@H]2CCCCO2)c(F)c1 412995999 SBMFYTGBGQUJHI-OAHLLOKOSA-N 295.379 3.723 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 285775011 JPQFZSGYXMFLQM-GFCCVEGCSA-N 287.146 3.577 30 20 CHED C=CCCCCNC(=O)c1cc(C)ccc1Br 379766233 JDJVUMCEMOHULB-UHFFFAOYSA-N 296.208 3.844 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(CC#N)cc1 193997269 RNGYFLPXSOMIIZ-ZFWWWQNUSA-N 285.391 3.700 30 20 CHED N#CCCSCc1nc2ccc(Br)cc2o1 413018137 PRQCKEOHLLECEO-UHFFFAOYSA-N 297.177 3.737 30 20 CHED C=CCCOCC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 138749605 IMZLCLZXCGLRLE-INIZCTEOSA-N 293.382 3.622 30 20 CHED CC(C)CCSc1nc2c(cc1C#N)CCCC2 221175009 FJPFJSWCVFHKQX-UHFFFAOYSA-N 260.406 3.970 30 20 CHED O/C(=N/Cc1noc(C2CC2)n1)[C@@H]1C[C@H]1C1CCCCC1 328989664 RXHGVJPRTFCBGM-QWHCGFSZSA-N 289.379 3.620 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(C2SCCS2)cc1 84710641 ZCAKTPGSPCQDBN-GFCCVEGCSA-N 293.413 3.624 30 20 CHED C[C@@H](NCCc1cccc(F)c1)c1ccc(OCC#N)cc1 192960635 GMGXLSKMUDOCOK-CQSZACIVSA-N 298.361 3.621 30 20 CHED N#CCc1ccc(C(=O)N[C@H]2CCCCC23CCCC3)cc1 329640494 XDRYVISNQJLVHE-KRWDZBQOSA-N 296.414 3.985 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(N(C)C(C)C)nc2)o1 191257376 JFTXLNGGIUOCKZ-SOFGYWHQSA-N 284.359 3.724 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)o1 83987928 FQSVWOBPQBXNCB-SOFGYWHQSA-N 271.272 3.646 30 20 CHED CC(C)OCc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 193954738 BINYDUPCQXWMMP-UHFFFAOYSA-N 294.354 3.736 30 20 CHED N#Cc1cc(/C(O)=N/[C@@H]2CC23CCCCC3)ccc1F 328884205 NRNOXSIAITZCKD-CQSZACIVSA-N 272.323 3.725 30 20 CHED N#CCc1cccc(C(=O)Nc2cccc(Cl)c2F)c1 42291611 ZREWFEMNBGXHEU-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CCOC(=O)c1ccc(OCCCC(C)(C)C#N)cc1 87596490 MVBBNGNOPZOJGC-UHFFFAOYSA-N 275.348 3.572 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C 192171502 FYINUYJWFUOYOA-INIZCTEOSA-N 257.377 3.694 30 20 CHED N#Cc1cccc(C[S@](=O)c2ccc3c(c2)CCCC3)c1 422098742 NESMYZGCNNNFTG-NRFANRHFSA-N 295.407 3.745 30 20 CHED C#CCCCC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 192124166 WAJGDZWYTSRDBA-CQSZACIVSA-N 297.402 3.598 30 20 CHED CCCCCCOc1ccc(C(=O)N[C@@H](C)CC#N)cc1 194668902 NXVSITVNRSQCTL-AWEZNQCLSA-N 288.391 3.678 30 20 CHED C=C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 335188743 JKNHCZPTHSIVTK-LSDHHAIUSA-N 275.779 3.622 30 20 CHED C[C@@H](C(=O)Nc1ccc(F)cc1C#N)c1cccc(F)c1 335286959 CGOATHWIFBEMPI-SNVBAGLBSA-N 286.281 3.579 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(C(C)C)cc1 330755029 FSMZCEKNMZXGGK-KRWDZBQOSA-N 272.392 3.868 30 20 CHED Cc1c(C#N)c(S[C@@H](C)C(F)(F)F)nc2c1CCC2 427094014 RHZJDYLYMUOBJW-QMMMGPOBSA-N 286.322 3.793 30 20 CHED CCc1cccc(C)c1NC(=O)c1ncc(C#N)cc1Cl 335200523 PGVKNLCFETXLDP-UHFFFAOYSA-N 299.761 3.730 30 20 CHED C=CCNC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 191658473 DSJNVAAOFBOWRA-AWEZNQCLSA-N 281.355 3.742 30 20 CHED Cc1nc(N[C@H]2CCSc3ccccc32)ccc1C#N 291689148 SGULMFYYWWZXQX-AWEZNQCLSA-N 281.384 3.911 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(C#N)cc2F)C1 336536234 UWNZDHDMRDUJQB-FZKQIMNGSA-N 295.361 3.675 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCc2ccc(Cl)cc21)OCC 339379863 TZDNCFOFFFULIT-OAHLLOKOSA-N 293.794 3.600 30 20 CHED CCC(C)(C)CNC(=O)Nc1cc(C#N)cn1C(C)(C)C 428702788 WRKYGRXKOAXWES-UHFFFAOYSA-N 290.411 3.672 30 20 CHED C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[C@H](C#N)C1 424330427 QOLVMNANRIHSOS-MBNYWOFBSA-N 296.336 3.918 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(C#N)s1 334960267 IJJIJZSIZIRYOX-LLVKDONJSA-N 276.405 3.661 30 20 CHED CCCN1CCN(CCCCC#N)c2cc(F)ccc21 429762942 HBVSUJVFLLVKOH-UHFFFAOYSA-N 275.371 3.556 30 20 CHED C=CCOCCCN(C1CC1)[C@@H](C)c1ccccc1 512247478 ZVKDNPBBVNXLJG-HNNXBMFYSA-N 259.393 3.805 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(OC)c(OC)c1 96766924 UXOJOHMXWHAWDK-NTMALXAHSA-N 298.338 3.609 30 20 CHED CC[C@@H](C)n1ncc(N/C(O)=N/CC(C)(C)CC)c1C 331176462 KCQJVEZNGUYAFJ-LLVKDONJSA-N 280.416 3.925 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)[C@H](C#N)CCc1ccccc1 331350733 NXCDECHUUGCJRQ-CIRFHOKZSA-N 298.430 3.700 30 20 CHED Cc1ncsc1C/N=C(/O)c1csc(C(C)C)n1 330624520 RMOZKFLNGKNQOX-UHFFFAOYSA-N 281.406 3.536 30 20 CHED CC(C)COc1cccc(CNc2cnccc2C#N)c1 94149965 QMOWQBXESJMMQH-UHFFFAOYSA-N 281.359 3.600 30 20 CHED CC(C)(C#N)CNC(=O)N1CC2(CCCC2)c2ccccc21 512902583 PZFYXNNZXGJMJM-UHFFFAOYSA-N 297.402 3.578 30 20 CHED Cn1cccc1[C@H]1CCCN1Cc1ccc(C#N)cc1Cl 439443257 APSUESPZIVTARZ-QGZVFWFLSA-N 299.805 3.887 30 20 CHED CCc1cc(/C(O)=N/[C@@H]2CCCC[C@H]2CC)cc(O)n1 330718436 ASXQPBUSGZNJDS-BXUZGUMPSA-N 276.380 3.623 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[C@H]2C#N)c2ccccc21 331761102 GMCFQTSOKMFIMZ-OQUILHJVSA-N 297.402 3.616 30 20 CHED C=CC[C@H]1N(C(=O)c2cocc2C)CCCC1(C)C 529186494 KLFKZRIRXDZTLP-CQSZACIVSA-N 261.365 3.795 30 20 CHED C=C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc([C@H]3C[C@@H]3C)o2)CC1 342108725 SJTKPTWVDSRECS-ZQDZILKHSA-N 285.387 3.685 30 20 CHED CC(C)[C@H](CNCC(C)(C)CCC#N)N1CCCCCC1 343283470 KCVPBBMGCZJLHI-KRWDZBQOSA-N 293.499 3.807 30 20 CHED N#Cc1cc(F)ccc1COc1ccc2c(c1F)CCC2=O 344597036 YKTWDGFGHCNVTC-UHFFFAOYSA-N 299.276 3.544 30 20 CHED C=C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 342017306 XEAPQKIENKJKQU-UHFFFAOYSA-N 290.363 3.534 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1csc2ccccc12 435735260 LCRMGUYAADSMBY-GUYCJALGSA-N 287.428 3.972 30 20 CHED C=CCCCN1CC[C@@H](OCCCc2ccccc2)C1 430912668 NHZBKEZNHOXOIF-GOSISDBHSA-N 273.420 3.676 30 20 CHED Cc1ccc([C@H]2OCCC[C@H]2NC2CCC(C#N)CC2)cc1 602574107 WTQRAJRIMCYCKE-JDGDGYACSA-N 298.430 3.887 30 20 CHED C[C@@](C#N)(NC(=O)C1CC2(CCC2)C1)C1CCCCC1 520232134 SXJHKFMTVFHSES-INIZCTEOSA-N 274.408 3.545 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@@H](C#N)CC(C)C)cc1 609989011 VEGWWTWRWKOJTF-RHSMWYFYSA-N 286.419 3.797 30 20 CHED Cc1cccc(NC(=O)c2cc3ccccc3n2CC#N)c1 609159176 BKEWXEKLCWDIFG-UHFFFAOYSA-N 289.338 3.726 30 20 CHED CC(C)[C@H](C/N=C\c1ccccc1O)c1cccnc1 255105744 BPVPRKVISWZPAH-YLRSXTQRSA-N 268.360 3.646 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc2ccc(F)cc2c1 343259364 NFELLJIYAQWGIV-GFCCVEGCSA-N 286.350 3.849 30 20 CHED Cc1ccc(CNc2nc(C)ccc2C#N)c(OC(C)C)c1 346830978 LLLHYWBQKCVEPQ-UHFFFAOYSA-N 295.386 3.969 30 20 CHED CC[C@H](Nc1nc(C)cc(C#N)n1)c1cc(C)ccc1C 528222900 NNSCLUOOKNNBHU-INIZCTEOSA-N 280.375 3.837 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H]1Cc1ccc(F)cc1 602449448 MNVMIFCSDJKOEV-WMLDXEAASA-N 274.383 3.772 30 20 CHED CCCCN(C(=O)CCCCCC#N)c1cccnc1 602378624 BFUUFZWICZCTKA-UHFFFAOYSA-N 273.380 3.689 30 20 CHED N#Cc1nnc2ccccc2c1NCc1cccc2cc[nH]c12 341441748 ULDJHZNFZFRCSX-UHFFFAOYSA-N 299.337 3.595 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C\c1cccs1 255455774 PJTIKDOUYNAALX-FPLPWBNLSA-N 268.341 3.580 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCC[C@@H](C(=O)NC(C)C)C1 449145648 AAVSQFBCTWKIMF-BBWFWOEESA-N 294.483 3.794 30 20 CHED C=CCOCCCn1c(C(F)(F)F)nc2ccccc21 356058464 KEPWRQJCZSSPLG-UHFFFAOYSA-N 284.281 3.648 30 20 CHED C=CCOCCCSCc1nc(-c2ccccc2)no1 359096851 CGTILEORDVQEMT-UHFFFAOYSA-N 290.388 3.563 30 20 CHED CC(C)C[C@@H](C)CC(=O)N(C)c1ccc(C#N)cc1F 609217043 SLHFQXYKOMGRRC-GFCCVEGCSA-N 276.355 3.732 30 20 CHED C=CCOCC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 440863539 XJUDNKCZTCKOQF-MENFKHAKSA-N 299.414 3.674 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)C[C@H](CC#N)c1ccccc1 354304883 XZKMCEIQNJRXPL-ZBFHGGJFSA-N 272.392 3.577 30 20 CHED C=CCC1(C(=O)NCc2ccccc2OC)CCCCC1 448564820 LCJRZNMLOAJYES-UHFFFAOYSA-N 287.403 3.838 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@@H]1c1ccccn1 531385650 CLNPBKYPZANJSR-OAHLLOKOSA-N 283.762 3.948 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N(CC#N)c1ccc(F)cc1C 602392183 KIFIQQUTIOBXDA-HIFRSBDPSA-N 288.366 3.817 30 20 CHED Cc1nc(C)c(C#N)c(SCCCCOC(C)(C)C)n1 352917837 VEELOOQLVOAMRL-UHFFFAOYSA-N 293.436 3.653 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H](C)C1CCC1 350740889 JDGHLORVCJBUIN-OLZOCXBDSA-N 276.428 3.602 30 20 CHED C=CCCCC(=O)NCc1nc2ccccc2n1C(C)C 267154579 JJBVWZRGMVRELZ-UHFFFAOYSA-N 285.391 3.590 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)CNc1ccccc1 539468773 YGRNIAVYWCUFEC-CABCVRRESA-N 289.423 3.531 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](c1ccco1)N(CC)CC 531706698 WKWFRPJQXAJTEV-JYJNAYRXSA-N 278.440 3.853 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(OCCC)c1)OCC 535136816 DULPHWNEOOCRII-INIZCTEOSA-N 291.391 3.785 30 20 CHED CN(Cc1cc(F)ccc1C#N)c1ccc(F)c(F)c1 532091709 PNFUSVJJNOWSTQ-UHFFFAOYSA-N 276.261 3.612 30 20 CHED CC(C)c1cccc(N(C)C(=O)c2cc(O)cc(C#N)c2)c1 614366326 AGCFKRJREDKGDN-UHFFFAOYSA-N 294.354 3.664 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1Cc1cc(C#N)n(C)c1 449391660 YWIJOKSPWOIFLY-CLCXKQKWSA-N 293.414 3.663 30 20 CHED CCN(Cc1ccc(C#N)cc1F)c1cccc(OC)c1 533033769 MTJKBMOSCUXRPZ-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=C1CCN(C(=O)c2cc3c(C)c(C)ccc3[nH]2)CC1 265331216 GGULXENGOUDONH-UHFFFAOYSA-N 268.360 3.577 30 20 CHED Cc1ccccc1C1(C(=O)N2CCC[C@](C)(C#N)C2)CCC1 615967013 DDSGIMAFJPAEKO-GOSISDBHSA-N 296.414 3.569 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3occc31)CC2 353429139 SGZISUHIPPELQW-DLBZAZTESA-N 278.355 3.806 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCc2sc(C)nc21 352540632 NQKBTYGTMOJJOZ-GFCCVEGCSA-N 292.448 3.590 30 20 CHED COCCN(CCCCC(C)(C)C#N)Cc1cccs1 444594172 LVGDSGVOBYRFMC-UHFFFAOYSA-N 294.464 3.917 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCC2(CCCCC2)C1)OCC 535172213 HREPOVBPXUBJEL-INIZCTEOSA-N 293.451 3.931 30 20 CHED CCN(Cc1cc(Cl)cc2cccnc12)C[C@H](C)C#N 352091317 JDRBKUAHTTUWNO-GFCCVEGCSA-N 287.794 3.870 30 20 CHED CCN(Cc1ccc(C)cc1)Cc1ccc(C#N)s1 534336878 VAVDDKLQNMWOAQ-UHFFFAOYSA-N 270.401 3.950 30 20 CHED C=CCOc1ccc(C(=O)N2CCC(F)(F)C[C@H]2C)cc1 530012346 DQHJAHGQYSVQSS-GFCCVEGCSA-N 295.329 3.511 30 20 CHED C=C(C)[C@@H](CC(=O)N(CCCCC)C(C)C)OCC 533677284 XAYBKQNVGOGEIM-OAHLLOKOSA-N 269.429 3.785 30 20 CHED COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1C 618741675 KHHOQEUSIISNMF-GOSISDBHSA-N 292.382 3.652 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C(C)=O)c(C)c1 455024942 OGXZDBXHDFVCKH-UHFFFAOYSA-N 274.364 3.531 30 20 CHED COCC[C@H](C)Nc1ccccc1SC[C@@H](C)C#N 267927417 MPLZREHMSUZLQV-STQMWFEESA-N 278.421 3.775 30 20 CHED C=CCC1(C(=O)N2CC(C)(CC(F)(F)F)C2)CCCC1 457135486 FHZDRDYZBQTWGI-UHFFFAOYSA-N 289.341 3.924 30 20 CHED CC[C@H](NCc1ccc(COC)cc1)c1ccc(C#N)cc1 278336814 XCBRRSKHQJGVKW-IBGZPJMESA-N 294.398 3.946 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCN(CC(C)C)C1)C1CC1 540147722 PWPVSUASAPKXII-WMZOPIPTSA-N 278.484 3.689 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(F)c(C#N)c1 452991169 XIEIVSRIQOCOMW-QGZVFWFLSA-N 288.366 3.738 30 20 CHED C=CCOCCN[C@@H](c1cccc(C)c1)C(C)(C)C 549535353 CUZNJJLFEOIQKC-INIZCTEOSA-N 261.409 3.874 30 20 CHED CSc1cc(C)ccc1CN[C@@H]1CCC[C@H](C#N)C1 278797437 QWQFXFYTNQQEQJ-DZGCQCFKSA-N 274.433 3.889 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 455319583 ZXXNCAGSKLYVJB-BBRMVZONSA-N 290.382 3.884 30 20 CHED C=CCN(C)C(=O)C(C)(C)c1cccc2ccccc12 450785699 GBMVLRBZYPRHCT-UHFFFAOYSA-N 267.372 3.762 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CCCCC1(F)F)CC2 453244267 HASQSUKXPLRHBR-ZBFHGGJFSA-N 290.357 3.961 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC(C2CCCCC2)C1 458747991 ZOVGGWZHIYHJKU-OAHLLOKOSA-N 264.413 3.563 30 20 CHED CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)n[nH]1 276833346 BPRPAPMHVYTNRG-RWMBFGLXSA-N 297.406 3.602 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)Cc1cccc(Cl)c1 452716015 GBEUIHJZBLHODR-LBPRGKRZSA-N 265.784 3.601 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OC)c(Cl)c1 454217097 UPNBINRPSNEVER-UHFFFAOYSA-N 282.771 3.682 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)c2sccc2C#N)cc1 364025413 KHMSPOAXKWAVOJ-HNNXBMFYSA-N 296.395 3.906 30 20 CHED Cc1ccc2snc(C(=O)Nc3cccc(C#N)c3)c2c1 549012263 HWSKMTXFKDHQAX-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)CC[C@H]1C 541658981 UHSOIYOPZVUNPK-UHIISALHSA-N 290.794 3.766 30 20 CHED C#CCC1(C(=O)N(C)Cc2ccccc2OC)CCCCC1 276298409 NRUMTVJSRRJPCY-UHFFFAOYSA-N 299.414 3.627 30 20 CHED CSc1cccc(NC(=O)NCCCCC#N)c1C 271722245 QLJZICGPVHURKL-UHFFFAOYSA-N 277.393 3.532 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C 545979144 KZHPXARJFLRGJL-STQMWFEESA-N 262.353 3.909 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(CC(F)(F)F)cc1 466581764 PZDAMFNUZPLLOK-UHFFFAOYSA-N 286.297 3.831 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccccc2C(F)(F)F)C1 274176175 DBHMTXICXDZCRB-YPMHNXCESA-N 282.309 3.877 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 469339864 QXKPSVMUQWKVKV-SFHVURJKSA-N 298.430 3.776 30 20 CHED Cc1nn(CCCc2cccc3ccccc23)cc1C#N 461045202 CEWKOKPTSVACTR-UHFFFAOYSA-N 275.355 3.849 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(OCCCC)c1 465161988 BYIZHYLGZGGYET-GFCCVEGCSA-N 262.353 3.562 30 20 CHED CC(C)(C#N)CCCSc1nc(O)cc(C(F)F)n1 289493609 JTDYEFXKTLYNKB-UHFFFAOYSA-N 287.335 3.542 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1cccc(C)c1 540527134 VQDCBYDXRAHOMI-LSDHHAIUSA-N 259.393 3.960 30 20 CHED C=Cc1ccc(CCNc2nc3ccccn3c2C#N)cc1 461892322 SZIALBXMDJKOES-UHFFFAOYSA-N 288.354 3.504 30 20 CHED Cc1oc(C(C)C)nc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 285762623 SSVBBMNSJWMHBN-NSHDSACASA-N 298.342 3.896 30 20 CHED C=CCCC(C)(C)NC(=O)CCCOCc1ccccc1 620861275 JWIVOIMSFHVSQI-UHFFFAOYSA-N 289.419 3.844 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1CCc2cc(F)ccc21 620864942 UVMVBXZOBKQKGV-HNNXBMFYSA-N 275.367 3.717 30 20 CHED CCCNc1ccc(CNc2nc(C)ccc2C#N)cc1 287931882 XFPFBJCHJBQOCQ-UHFFFAOYSA-N 280.375 3.696 30 20 CHED N#Cc1ccc(NC(=O)N2CCc3c(Cl)cccc32)cc1 464911576 LLMIYIZGJPCSHY-UHFFFAOYSA-N 297.745 3.806 30 20 CHED CCCCOc1ccccc1NC(=O)c1cc(C#N)oc1C 280842613 XKWVGOAGJMNKHC-UHFFFAOYSA-N 298.342 3.891 30 20 CHED Cc1ccc(CSCCN[C@H]2CCC[C@H](C#N)C2)cc1 463286432 VEXCOOYWYAJYOW-IRXDYDNUSA-N 288.460 3.900 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 468530693 UHPLTLSHKXRXQD-IINYFYTJSA-N 296.361 3.926 30 20 CHED CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 280527508 IEPSWQIWCBWRNY-OAHLLOKOSA-N 272.392 3.652 30 20 CHED C=CCCC1(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)CC1 474394292 HAODOLKFYDQNGY-LLVKDONJSA-N 290.432 3.953 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(OC(C)(C)C)cn2)no1 293162787 XZUYINGZCXOLIN-UHFFFAOYSA-N 299.374 3.610 30 20 CHED CC#CC(=O)NCC1(C2CCCCC2)CCCCC1 801180138 SJLUWKLVUXYPNC-UHFFFAOYSA-N 261.409 3.657 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Sc1ccccc1 471678867 WDUFNVUTGHDPGO-CYBMUJFWSA-N 263.406 3.640 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(F)cc1OCCC 470423387 AKPMCMXHXMNBRZ-LLVKDONJSA-N 280.343 3.701 30 20 CHED Cc1c([C@H](NCCC#N)C(C)C)oc2ccccc12 298808234 FJFPEKIVGQRKIZ-OAHLLOKOSA-N 256.349 3.942 30 20 CHED C=CCOCCCN[C@@H]1CCC[C@H]1c1ccccc1 470868744 RASBUBKRXWPMPH-DLBZAZTESA-N 259.393 3.505 30 20 CHED CC#CCCCc1nc([C@H]2CSc3ccccc32)no1 296585669 WIGCSOXTLVVHAC-ZDUSSCGKSA-N 284.384 3.653 30 20 CHED CCCC[C@H](SCc1cccc(C#N)c1F)C(=O)OC 475901885 SOHFUQZOTKPDRS-ZDUSSCGKSA-N 295.379 3.662 30 20 CHED CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)CC#N 476695900 VTOSPBAQWBGFFW-OAHLLOKOSA-N 266.429 3.990 30 20 CHED CCCCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 298326304 GNVMDUDMUCTUEE-CYBMUJFWSA-N 258.365 3.658 30 20 CHED C=CCC[C@@H](NCC(C)(C)COC)c1ccco1 293710313 OXUGBBRZHSQUOK-CYBMUJFWSA-N 251.370 3.549 30 20 CHED CCC[C@@H](CC)SCC(=O)Nc1cccc(C#N)c1 477089703 QPRWXFWKZPUELF-CQSZACIVSA-N 276.405 3.809 30 20 CHED C=CCCCCCCNC(=O)N1CCC(C)(COC)CC1 806004157 KEBQMFUHOOWDLX-UHFFFAOYSA-N 296.455 3.581 30 20 CHED C#Cc1ccc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1 809636865 HKZRPFGHPXTYPA-SWLSCSKDSA-N 281.321 3.831 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nnc(Cc3cccs3)o2)C1 296005168 NDIVMTYBWOFPHT-KOLCDFICSA-N 291.401 3.506 30 20 CHED C#Cc1ccc(CNCc2cc3cccc(OC)c3o2)cc1 809601194 UWTOPVLWYUSQIB-UHFFFAOYSA-N 291.350 3.713 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NNCC1CCCC1 808006681 XILODQSAJCQKIJ-UHFFFAOYSA-N 288.288 3.958 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCc2c(Cl)cccc21 563943140 RNFJWGPQFDAFGY-CQSZACIVSA-N 262.784 3.857 30 20 CHED C#CCCc1noc(C2(Cc3ccccc3Cl)CC2)n1 809397631 YMWHZYLFEPTBAA-UHFFFAOYSA-N 286.762 3.563 30 20 CHED C[C@@H]1CC(=NNc2ncccc2F)c2ccccc21 807988874 ZZUOILZXGUHGCK-SNVBAGLBSA-N 255.296 3.544 30 20 CHED CON=CC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 809698853 HOFYCNTXLPRAEI-AWEZNQCLSA-N 296.370 3.505 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1SC(F)F 806152290 WOSNIEOVMNDJGJ-SECBINFHSA-N 284.331 3.535 30 20 CHED C=C(C)[C@H](NC1CC(C)C1)c1ccc(F)c(F)c1 480679041 USQXJFUMSLVRKP-QHAMSDLMSA-N 251.320 3.970 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)CSc1ccccc1 488880917 VISKXWHOTWIMNM-HUUCEWRRSA-N 289.444 3.982 30 20 CHED N#CCc1ccc(CNC[C@@H]2C[C@H]2c2ccccc2)cc1 563623834 WNPBSMZDILTKDX-OALUTQOASA-N 276.383 3.646 30 20 CHED Cc1cc(OC(=O)c2ncsc2C(C)C)ccc1C#N 813234887 WWOOTZFJVVHHBI-UHFFFAOYSA-N 286.356 3.666 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2ncccc2F)CS1 814927605 XENNOSXAIJBCOM-LLVKDONJSA-N 267.373 3.540 30 20 CHED C=C(CNC(=O)N[C@@H](CC)CCC)c1ccccc1 487803677 SWSACGPIVFGEOG-HNNXBMFYSA-N 260.381 3.578 30 20 CHED Cc1ccnc(NN=Cc2ncc(C(C)(C)C)s2)c1 814868022 SZOKISWIXWBHEZ-UHFFFAOYSA-N 274.393 3.590 30 20 CHED N#Cc1ccc(NC(=O)CCCc2ccsc2)cc1F 813258709 IJGWYVKWZHLIMB-UHFFFAOYSA-N 288.347 3.720 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 816730304 SAHNHUPYPXZIBI-AOOOYVTPSA-N 299.283 3.777 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N[C@]2(C#N)CC2(C)C)c1 484909559 KKYHRKUIYCWJLP-LIRRHRJNSA-N 298.430 3.797 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(NCC2(C)CC2)cc1 562324244 DRQQSJGGNVXFQD-UHFFFAOYSA-N 284.403 3.713 30 20 CHED CSc1ccc(C=NNc2cccc(C(=O)O)c2)s1 814687681 QSTQQQXQROMKLG-UHFFFAOYSA-N 292.385 3.614 30 20 CHED N#CCCCC(=O)Oc1ccc(Cc2ccccc2)cc1 812957079 KDLXHBTUIXFULQ-UHFFFAOYSA-N 279.339 3.877 30 20 CHED C[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)C 810255226 XSNXZLIHMOEJIN-JTQLQIEISA-N 277.343 3.501 30 20 CHED C[C@H](CC(=O)NCCc1cccc(C#N)c1)C1CCCCC1 573389983 GNPMZPKTPBINQF-OAHLLOKOSA-N 298.430 3.823 30 20 CHED C=CCC[C@H](CCC)NC[C@](C)(C(=O)O)c1ccccc1 650801877 CHXISJLKUQJNAY-WMZOPIPTSA-N 289.419 3.753 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 488488786 RYQWNVUZROBBNJ-UPJWGTAASA-N 264.417 3.714 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2C(F)F)cc1 812239822 FUIFFHGTKYZOQQ-BQYQJAHWSA-N 276.286 3.562 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(Br)cc1 811669960 LKXQNSAZWZDHOZ-KJXLZJQQSA-N 288.572 3.942 30 20 CHED Cc1cc(CNCC(C)(C)c2ncccc2C)ccc1C#N 575792027 UHXHBZCIDNRLHK-UHFFFAOYSA-N 293.414 3.638 30 20 CHED CC(=NOCCOC(C)C)c1cc(C)sc1C 812239628 ZNLUDEGSCQJLMA-UHFFFAOYSA-N 255.383 3.531 30 20 CHED CCC[C@H](C(=O)Nc1cccc(C#N)c1C)C(C)C 486398245 LYVWOAPPUVXLLT-AWEZNQCLSA-N 258.365 3.878 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccccc1OC)C(C)C 728466027 UBGKMRQTKWSOCO-AWEZNQCLSA-N 275.392 3.612 30 20 CHED CC(=NNC[C@H]1CCSC1)C(C)(C)c1ccc(F)cc1 811662408 KHWFYTKIWIKAPQ-CYBMUJFWSA-N 294.439 3.822 30 20 CHED CCC(CC)(CC)NC(=O)Nc1ccc(C#N)c(F)c1 576625592 GGSJZIAVIRUYPG-UHFFFAOYSA-N 277.343 3.788 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1cc(F)c(F)cc1F)C2 811692398 ATOGQDXQWKSUHH-XGICHPGQSA-N 299.251 3.798 30 20 CHED N#C[C@H](NC(=O)C1(F)CCCCC1)c1ccc(Cl)cc1 813122534 AIWCRXWNELOLGM-ZDUSSCGKSA-N 294.757 3.693 30 20 CHED C=CCCC(CCC)=NNc1nc(-c2cccnc2)no1 814950501 JHLVPUGAZVMEPO-UHFFFAOYSA-N 285.351 3.666 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)CCC(C)C 491911466 JXHLGJRMSOSAEH-KBPBESRZSA-N 252.402 3.561 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1cc[nH]n1 824157676 KCOCOEGYILKZDH-LBPRGKRZSA-N 269.348 3.618 30 20 CHED CCC[C@H](C)CC(=O)Nc1cc(C#N)c2ccccc2n1 570966581 MGPHWPXGXCQHFJ-LBPRGKRZSA-N 281.359 3.871 30 20 CHED CC[C@@H](NCCc1ccc(C)o1)c1ccc(C#N)cc1 579433230 NQVFMNPVVISCAP-QGZVFWFLSA-N 268.360 3.743 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc2n(n1)CCC2 570662552 MKAHLEICJRUSHV-RHSMWYFYSA-N 294.402 3.525 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 664472220 KRFYZRHITOLGMA-GVDBMIGSSA-N 298.430 3.616 30 20 CHED CCCC(=NNc1nccc(OC)n1)C1CCCCC1 727778586 NBRRGMAEUSEBPN-UHFFFAOYSA-N 276.384 3.634 30 20 CHED C#C[C@H](CCC)NC(=O)N(Cc1ccccc1F)C(C)C 820640535 PBHMPIHQQSROMM-OAHLLOKOSA-N 290.382 3.548 30 20 CHED C=CC[C@H]1CCCN(Cc2cccc(OCC)c2O)C1 826947669 ROMNOEOYDYIHOH-AWEZNQCLSA-N 275.392 3.579 30 20 CHED C#CCN(CC#N)C(=O)c1c2ccccc2cc2ccccc12 491494706 DXNKAOCRFDYJTO-UHFFFAOYSA-N 298.345 3.592 30 20 CHED c1nc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c2ccsc2n1 725819443 NKNAACANZWTJOU-UZWSLXQKSA-N 298.415 3.915 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(-c2ccc(F)cc2)no1 666259547 ISAINHSCABIFGR-UHFFFAOYSA-N 288.322 3.519 30 20 CHED C=CCN(C(=O)N[C@@H](CC)Cc1ccc(F)cc1)C1CC1 665495565 OZFJHWLYURCVQS-HNNXBMFYSA-N 290.382 3.507 30 20 CHED C#Cc1ccc(C(=O)Oc2c(Cl)cccc2Cl)cn1 728802252 RWPLDSKPUMTXML-UHFFFAOYSA-N 292.121 3.589 30 20 CHED CC(C)C#CC(=O)Nc1ccc2c3c(cccc13)CC2 820115184 YJGWMPLSKHFQSE-UHFFFAOYSA-N 263.340 3.536 30 20 CHED C=C(C)CN(CCC=C(C)C)Cc1ccc(CO)o1 660535261 AHBFSRHYHHQIHX-UHFFFAOYSA-N 263.381 3.506 30 20 CHED C=CCCNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 661572315 JHKDZYHUVQARMV-UHFFFAOYSA-N 297.402 3.633 30 20 CHED CO[C@H]1CC(=NNc2ccc(C#N)c(Cl)c2)C12CCC2 834968925 ORPOOLQWWPFPKD-AWEZNQCLSA-N 289.766 3.569 30 20 CHED CC(C)(C)c1ncc(/C=C\C(=O)c2ccncc2)s1 588386478 XUZJKNWATOQCEN-PLNGDYQASA-N 272.373 3.732 30 20 CHED N#Cc1cccc(C=NNc2nc3ccccc3s2)c1 839384260 VLJAUQWLXKDHKL-UHFFFAOYSA-N 278.340 3.614 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCc2sc(Cl)cc21 584812137 IWHICUXAOVHAJE-LLVKDONJSA-N 281.808 3.699 30 20 CHED N#CC1(COC(=O)[C@H]2CCC[C@H]2c2ccccc2)CCC1 835311866 YRMOAIHXYLGGPQ-HOTGVXAUSA-N 283.371 3.807 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(C)c(C)c2O)c1 834904169 VXFJWQFJVBFWPM-HNNXBMFYSA-N 279.383 3.841 30 20 CHED CC(C)(C)c1ncc(/C=C\c2nc(C#N)cs2)s1 901542970 CHXMHFUUUCZGIR-PLNGDYQASA-N 275.402 3.939 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2coc3ccccc23)C1 839048291 CRNWKVDVQHLFAN-RYUDHWBXSA-N 269.300 3.672 30 20 CHED C[C@@]1(C/N=C\c2cc(Cl)cc(Cl)c2O)CCOC1 733081209 QXASPCSPVRWMOH-KIOONODFSA-N 288.174 3.545 30 20 CHED CCN(CC)c1ccc(C=NNc2ccccn2)cc1F 739400751 RCNXKQMTFGZAHY-UHFFFAOYSA-N 286.354 3.513 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 674907151 SDZMMSVRABHMCJ-JTQLQIEISA-N 285.347 3.654 30 20 CHED C#CCCCCCCOC(=O)C[C@@H]1CCC[C@@H](OC)C1 835714626 MHIRHXVHGAMCMN-HZPDHXFCSA-N 280.408 3.709 30 20 CHED CC[C@H](C)[C@H](NC(=O)CCCCCC#N)C(F)(F)F 588978647 UEKSFOYKTSSSAF-JQWIXIFHSA-N 278.318 3.554 30 20 CHED CC(C)(C)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 837603735 GEEVUJPVZLAMMT-BCDXTJNWSA-N 295.426 3.973 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)c(F)c1)CO2 731490226 VKECVVAFQKXWSV-NTUHNPAUSA-N 298.313 3.801 30 20 CHED C=CC[C@@H](NC(=O)N[C@H](C1CCC1)C1CC1)c1ccncc1 838478075 SGDXARLYHRFOCF-IAGOWNOFSA-N 299.418 3.577 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H](Nc2ccccc2)C1 588649630 WODOABBGXUYVSB-KRWDZBQOSA-N 299.418 3.564 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1nccn1-c1ccccc1 588618558 ZRGVKQGBOYGAFJ-KHPPLWFESA-N 299.333 3.640 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)CC1CCC1 839435935 RDAVJLRSGWAKAZ-UHFFFAOYSA-N 264.328 3.840 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccccc1SC 599899091 AEKAGWRCSKEQEL-LBPRGKRZSA-N 290.432 3.916 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@H](C)CSc2ccccc21 839311742 XFDHXTBIAIDYBZ-NSHDSACASA-N 297.370 3.973 30 20 CHED CSCC[C@@H](C)OC(=O)c1ccc(C#N)c(Cl)c1 835813396 UJACLVDSVSVAPZ-SECBINFHSA-N 283.780 3.510 30 20 CHED C=C(Cl)CN1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 839617952 UFVZPKIZQNMMSX-SFYZADRCSA-N 295.654 3.944 30 20 CHED COc1cc(C)ccc1[C@@H](C)NCCc1ccc(C#N)cc1 595055205 ASHRWLPXDAQADA-OAHLLOKOSA-N 294.398 3.769 30 20 CHED CC(C)(Cc1ccccc1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839054832 ORWKKRPEXZQRQK-JKSUJKDBSA-N 285.387 3.881 30 20 CHED Cc1ccc(C2(C(=O)N[C@](C)(C#N)CC(C)C)CCC2)cc1 591757541 DMWPBROWBXEUJF-SFHVURJKSA-N 298.430 3.861 30 20 CHED C=C(C)CCOC(=O)CCOc1ccc(F)cc1Cl 744304429 MSRJOQKSLDKUOT-UHFFFAOYSA-N 286.730 3.757 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCOc2cc(F)ccc2C1 599686518 FUGDICKSYGZFNS-ZDUSSCGKSA-N 296.345 3.653 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc3occc3c2)C1 595072098 FHEBSKFLPOEGIQ-DOMZBBRYSA-N 254.333 3.605 30 20 CHED COc1ccc(CNN=Cc2cc(C)n(C3CC3)c2C)cc1 917547657 XPIPDKBWUWTZQV-UHFFFAOYSA-N 297.402 3.572 30 20 CHED N#Cc1ccc(CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1 596741690 OZJIGWYLGMOMNR-IYARVYRRSA-N 296.414 3.781 30 20 CHED Oc1cccc(C=NNc2ncc(Cl)cc2Cl)c1 916317010 VFSLPBCEXWBBHT-UHFFFAOYSA-N 282.130 3.540 30 20 CHED Cc1ccc(O[C@H](C)C/N=C/c2ccccc2O)cc1 743042332 JCPQAOMFGPTTAX-CRRKTRLDSA-N 269.344 3.587 30 20 CHED Oc1ccccc1/C=N/Cc1cccc(CN2CCCC2)c1 914701309 FOQFWBXYGNKXMT-XSFVSMFZSA-N 294.398 3.607 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)/C=C/C1CCCC1 843534466 LNMOASGWFPHNBR-CMDGGOBGSA-N 285.391 3.800 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ccc([N+](=O)[O-])cn1 748249107 RZIXQEVBFGAHMU-SNVBAGLBSA-N 264.329 3.604 30 20 CHED C#C[C@H](C)OC(=O)c1c(C)n(CCC)c2ccc(OC)cc12 744180664 SGTQDJRATUNZCO-LBPRGKRZSA-N 299.370 3.547 30 20 CHED CCc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 44385324 MEZBEYIALHFPGT-UHFFFAOYSA-N 256.349 3.662 30 20 CHED CCc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1 916269228 ZDCQJZPSBRDBSN-UHFFFAOYSA-N 269.304 3.603 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@@H]1c1ccc(F)cc1 595703194 LFKUSCQXAOPDCS-QGZVFWFLSA-N 296.345 3.653 30 20 CHED COc1ccccc1C(C)(C)C/N=C\c1ccccc1O 745021837 SKUXNFIBVCKPAZ-UNOMPAQXSA-N 283.371 3.798 30 20 CHED CO[C@@H]1CCC[C@H]1/N=C\c1c(O)ccc2ccccc12 840709204 LIYXASQRUQIQGC-BMQZRQAQSA-N 269.344 3.532 30 20 CHED C=CCCSCCNC(=O)N(C)[C@@H](C)c1cccs1 595723371 XUYHNFHZWFRKFQ-LBPRGKRZSA-N 298.477 3.760 30 20 CHED CC(C)CN(Cc1cccc(Cl)c1)C(=O)C(C)(C)C#N 598892560 NETJFLPRPJKRJB-UHFFFAOYSA-N 292.810 3.874 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Cl)nc(C2CC2)c1 846798687 LLSZREKDEHJIJZ-UHFFFAOYSA-N 278.783 3.651 30 20 CHED C=C(CNC(=O)CC1(C#N)CCCCC1)c1ccccc1 597655189 AXQMFIHDVRDWFQ-UHFFFAOYSA-N 282.387 3.680 30 20 CHED CCCCCCCC(=O)NC[C@@H](C)N1CCC(C)CC1 742402214 VOCFSPWOTMGDRQ-MRXNPFEDSA-N 282.472 3.584 30 20 CHED C=C1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 594733957 CFDXTDAYTAIYMW-ZDUSSCGKSA-N 292.810 3.627 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F 916245061 RJGXFMTZZHNRES-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CS[C@@H](C)CCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940399 DGUNEYTXJKPJMQ-GXSJLCMTSA-N 294.445 3.728 30 20 CHED O=C(O)c1cccc(NN=C2CCCCc3ccccc32)c1 916255281 OJGAFJWAFWBSFG-UHFFFAOYSA-N 294.354 3.927 30 20 CHED C#CCN(C(=O)C[C@@H]1CCCC[C@H]1C)C1CCCCC1 743689761 AKSJDGCAKVWIDU-CVEARBPZSA-N 275.436 3.997 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]1c1sccc1C)C(C)C 747857173 NTMNDYRVUXKVBT-OLZOCXBDSA-N 263.406 3.583 30 20 CHED CCC(=NNc1ncnc2ccsc12)[C@H]1C[C@H]1C 841631165 WFIKATJTSIBTDJ-BDAKNGLRSA-N 260.366 3.525 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H]1CC12CCOCC2 748844414 RYEIMQOJBDBWEG-HZPDHXFCSA-N 295.467 3.916 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2cccc(C3CC3)c2)C1 841255718 LOUSYBIWGMYMKL-WMLDXEAASA-N 283.371 3.732 30 20 CHED C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](CC#N)C1 597178188 WFPFXTDGHVMCCT-YVGNARHYSA-N 299.374 3.624 30 20 CHED COc1ccc(NC[C@@H]2CCOc3ccccc32)cc1C#N 846747521 LZAYZDLASOPKOT-ZDUSSCGKSA-N 294.354 3.545 30 20 CHED C[C@H](/N=C\c1ccc(O)c(O)c1O)c1cccc(C2CC2)c1 840705878 GCSKMZYBZVTPEH-ORPVNXHJSA-N 297.354 3.861 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(N(C)C)cc1 920375057 QOEBLDYHHBMZFS-UHFFFAOYSA-N 289.329 3.867 30 20 CHED Cc1cccc([C@@H](C)C/N=C\c2cccc(O)c2O)c1 741164858 BQVVKKVNOQZACA-FHNWIRHTSA-N 269.344 3.629 30 20 CHED COc1ccc(NN=C(C)c2ccc(OC)cc2)cc1 750923048 TWTCPVPVIPLIFV-UHFFFAOYSA-N 270.332 3.540 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cc(OC)ccn2)cc1 926402458 TZESZWRXPWTNSW-AWEZNQCLSA-N 298.386 3.506 30 20 CHED CCc1ccccc1NN=Cc1nc2ccccc2n1C 755643721 YTIORTRCJCAHLO-UHFFFAOYSA-N 278.359 3.582 30 20 CHED CC(=NNc1ccccc1Cl)C1CCOCC1 755870886 AJVMPLKVEIVRIC-UHFFFAOYSA-N 252.745 3.554 30 20 CHED C#CC[C@@H](OC(=O)C1CCC2(CC1)CC2)c1ccccn1 850819999 XLPAOTMMDQCYPC-MRXNPFEDSA-N 283.371 3.660 30 20 CHED CCCC(O)(CCC)CNc1nc2ccccc2cc1C#N 750028489 YMQWDJUUNFBASW-UHFFFAOYSA-N 297.402 3.850 30 20 CHED C[C@@H]1CCCC[C@H]1OCCOC(=O)C1(C#N)CCCCC1 920672974 IMDGOMLHFFGXDQ-HUUCEWRRSA-N 293.407 3.599 30 20 CHED Cc1ccccc1CCCOC(=O)c1ccc(C#N)cc1 753436433 JITRMRZIPCYXBH-UHFFFAOYSA-N 279.339 3.656 30 20 CHED CCCCCC(C)(C)CNC(=O)c1ccc(C#N)s1 755414083 VNIIJGGMXYBRBT-UHFFFAOYSA-N 278.421 3.956 30 20 CHED C[C@@H](CCCc1cccnc1)N[C@@H](C)CC(C)(C)C#N 926564806 GEDQWERWRXJCBO-GJZGRUSLSA-N 273.424 3.711 30 20 CHED CCOc1cncc(/C=C2\CCCC(C)(C)C2=O)c1 857201638 FKGPKXFKXMJZBM-MDWZMJQESA-N 259.349 3.643 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2C)s1 750938763 OEQLUYIQXQLDRL-UHFFFAOYSA-N 264.325 3.650 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](C)[C@@H](CO)C1 857364841 MCCOVSMKRCOMNG-IAGOWNOFSA-N 297.483 3.994 30 20 CHED C[C@@H]1CCCCN1N=Cc1ccc(C(F)F)cc1 853382076 RXTLWLAURMRHKX-LLVKDONJSA-N 252.308 3.833 30 20 CHED Oc1c(F)cccc1C=NNc1cccc2cnccc12 755697105 CBPPVVUPJIIEJU-UHFFFAOYSA-N 281.290 3.526 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1[nH]c2ccccc2c1Cl 756015583 XTQSKFOOEOPRKT-SECBINFHSA-N 263.724 3.943 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1cccc(Cl)c1 759007039 IMETWNXPEKHHIH-UHFFFAOYSA-N 292.762 3.834 30 20 CHED COCc1ccc(/C=C\C(=O)c2cc(F)ccc2O)cc1 757467906 OLEFGUOGYAUTIS-VURMDHGXSA-N 286.302 3.574 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C(CC=C)CC=C 758459390 GKWSBOIZHQBCMQ-UHFFFAOYSA-N 285.362 3.556 30 20 CHED C=CCCCC(=O)Nc1nc2ccccc2n1C1CC1 755152937 WRBVZVCEMYMQRA-UHFFFAOYSA-N 269.348 3.666 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2ccccc2C#N)cc1 755602232 USBCHVHJWNOYKE-JLHYYAGUSA-N 290.366 3.910 30 20 CHED C#CC[C@H](NC(=O)c1cc(C)ccc1C)c1ccccc1 757577244 FYPZOZWCEWTLBY-SFHVURJKSA-N 277.367 3.798 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cnc(CC(C)C)s1 931130093 ITWMKYRNIDQZRF-UHFFFAOYSA-N 299.399 3.774 30 20 CHED C=CC[C@@H](NC(=O)C[C@@H](C)c1ccco1)c1ccncc1 859404135 IIENIONHQDGAFP-UKRRQHHQSA-N 284.359 3.602 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(F)c(C(C)=O)c1 935919457 HZZTZMRUSLYBBR-LLVKDONJSA-N 263.312 3.569 30 20 CHED C#CCN(C(=O)Nc1c(C)noc1-c1ccccc1)C(C)C 930821196 XLUAEPLBKZEKJL-UHFFFAOYSA-N 297.358 3.526 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1ccc(F)cc1 764779897 XXAIWWSLHRVVEP-UHFFFAOYSA-N 293.345 3.888 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(C)n2)C12CCCC2 863160187 UISDIKOEUMQPKZ-CQSZACIVSA-N 273.380 3.527 30 20 CHED Fc1ccc(C=NOCc2ncccc2C(F)(F)F)cc1 762192017 SOXFSNFCXZLQKV-UHFFFAOYSA-N 298.239 3.790 30 20 CHED Cc1cc(NN=C2C[C@@H](C)c3c(C)cccc32)nc(C)n1 766694556 DIQMYYUOGXHIAT-LLVKDONJSA-N 280.375 3.725 30 20 CHED CC#CCCCC(=O)Oc1cc(Cl)ccc1F 767091386 KTGWTSLTCWUJOT-UHFFFAOYSA-N 254.688 3.578 30 20 CHED CCC(C#N)(CC)C(=O)OCCc1ccccc1Cl 860200146 PKHZVJLUYFIULC-UHFFFAOYSA-N 279.767 3.756 30 20 CHED CC(C)(CC#N)COC(=O)/C=C/c1ccc2[nH]ccc2c1 764847998 MAEAHUFRLMUVRY-GQCTYLIASA-N 282.343 3.664 30 20 CHED Cc1ccccc1-c1cccc(C=NN2CCCC2=O)c1 769589644 RNGFMZAKNAWJDO-UHFFFAOYSA-N 278.355 3.618 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1ccc([N+](=O)[O-])cc1F 864019514 JRKYCGDEHKQKAX-LLVKDONJSA-N 299.305 3.803 30 20 CHED C#CCCCSc1nncn1-c1ccc(C)c(Cl)c1 766285027 UUSBFRBFIWOZKM-UHFFFAOYSA-N 291.807 3.735 30 20 CHED Cc1cc(N(C)C)ccc1Nc1c(C#N)cccc1C#N 1116785246 QQLQVLWKTLBFPV-UHFFFAOYSA-N 276.343 3.548 30 20 CHED N#C[C@H](OC(=O)[C@@H](F)c1ccccc1)C1CCCCC1 769171984 RCTKFKDCVXRQGE-GJZGRUSLSA-N 275.323 3.713 30 20 CHED Cc1ccc(Cc2noc(-c3cccc(C#N)c3C)n2)s1 1117613949 UUTAYKYEOSWABD-UHFFFAOYSA-N 295.367 3.877 30 20 CHED C=CCC[C@H](NC(=O)C(F)(F)C(F)F)c1ccccc1 772243360 KIQUNKIDDYTNPN-NSHDSACASA-N 289.272 3.711 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1C=NOC1CCCC1 774601363 BYZJLNKOJHAUCW-UHFFFAOYSA-N 268.700 3.541 30 20 CHED COc1ccc(NCC#Cc2ccc(F)cc2)c(C)c1 771188798 QRZMLUPWYQZUGN-UHFFFAOYSA-N 269.319 3.606 30 20 CHED CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCCC#N 872031686 LMALZQKMZDUZMU-LLVKDONJSA-N 293.392 3.661 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2nc3c(s2)CCCC3)cc1 776264369 XEKBUGYZANVDER-KTKRTIGZSA-N 294.379 3.790 30 20 CHED CC(C)(C#N)CCOC(=O)CCn1ccc2ccccc21 776368093 OYOKRIUPJMUYNM-UHFFFAOYSA-N 284.359 3.514 30 20 CHED CCCCCCCCOCc1nnc([C@H]2CCO[C@H]2C)o1 1118258863 PXZQUMDUZLASOQ-KBPBESRZSA-N 296.411 3.839 30 20 CHED C=CCCCOC(=O)c1cc(C)oc1C(F)(F)F 770475167 VRVWFUZDRYNOLT-UHFFFAOYSA-N 262.227 3.730 30 20 CHED Cc1nc(C(=O)OCCCC#N)c(-c2ccccc2)s1 778859054 XBAIDHBZRBINJO-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C#CCCCCCC(=O)N[C@](C)(C#N)C1CCCCC1 779994665 UPHAZHQLXJSWPE-QGZVFWFLSA-N 274.408 3.549 30 20 CHED C(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(-c2cccnc2)c1 774597595 RVRJCRRHHLEYGI-FNHZYXHNSA-N 291.398 3.861 30 20 CHED CC(=NNc1cccc(Cl)c1F)[C@@H]1CCCOC1 779771762 OHMBZFFAOMNQKE-SNVBAGLBSA-N 270.735 3.694 30 20 CHED C=CCC[C@@H](OC(=O)[C@@H]1CCOC2(CCC2)C1)C1CC1 1122736640 AFSUNPKGBRIVCJ-HUUCEWRRSA-N 278.392 3.624 30 20 CHED CC(C)c1ccccc1C(=O)NCc1ccc(C#N)cc1F 1125898809 SBLCVJSVTFGQET-UHFFFAOYSA-N 296.345 3.751 30 20 CHED Cc1cccc(C)c1COC(=O)c1cccc(F)c1C#N 778375549 UQDJVAYODMUBCK-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC(C)c1ccc(C(=O)OCC2(C#N)CC2)cc1Cl 786397171 MHOWIMNUUQDMGP-UHFFFAOYSA-N 277.751 3.924 30 20 CHED C[C@@H](OC(=O)CSc1ccccc1)c1cccc(C#N)c1 782371333 GHZSEKLTDODJBG-CYBMUJFWSA-N 297.379 3.955 30 20 CHED CCN(CCOC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 65950690 BXBOQZWAGCDEDJ-CQSZACIVSA-N 274.408 3.756 30 20 CHED C[C@H]1CCCC(=NNc2ncnc3ccsc23)[C@@H]1C 781128714 TUGOLKHSWMRSJL-VHSXEESVSA-N 274.393 3.915 30 20 CHED Cc1ccc(F)c(CC(=O)O[C@H](C)c2cccc(C#N)c2)c1 1127022051 WBSXKEAYTRMRHH-CYBMUJFWSA-N 297.329 3.853 30 20 CHED CC(=NNc1ccccn1)C1CCC(F)(F)CC1 788700392 MRRNVBUAIWZQCQ-UHFFFAOYSA-N 253.296 3.695 30 20 CHED Cc1ccccc1C=NOCc1ccc(C(F)(F)F)cn1 783869997 DYOSAQWDBDXJGM-UHFFFAOYSA-N 294.276 3.960 30 20 CHED Cc1cnc(SCc2ccc(C#N)cc2Cl)nc1 163430035 QULQPHIOTBNJHF-UHFFFAOYSA-N 275.764 3.602 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1CCCC1(C)C 784788200 QZSNAJBWJMTYLE-GFCCVEGCSA-N 251.370 3.686 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1coc(C)c1 781452633 WDPSMWOOZTUNEB-UHFFFAOYSA-N 272.300 3.544 30 20 CHED C#CCC1(C(=O)N2C[C@@H](C)CCC[C@H]2C)CCCCC1 788446654 FQOSKIOXDSXVMB-JKSUJKDBSA-N 275.436 3.997 30 20 CHED CCCN(C(=O)c1ccc(CC#N)cc1)c1ccccc1F 1131009895 OXBCKGQOXPNRNQ-UHFFFAOYSA-N 296.345 3.949 30 20 CHED CCC(=NNc1cccnn1)c1cccc2ccccc12 780226928 HDNUMZUYNLGYHS-UHFFFAOYSA-N 276.343 3.856 30 20 CHED CC[C@H](CC(=O)Nc1cc(F)cc(C#N)c1)C(C)C 1132219556 KLXBVXIPEMYURU-GFCCVEGCSA-N 262.328 3.708 30 20 CHED C=C1CCC(C(=O)Nc2ccc3c(C)nn(C)c3c2)CC1 891082141 KRNVNMPYVDLQPB-UHFFFAOYSA-N 283.375 3.567 30 20 CHED Cc1ccc2c(C)cc(NN=C3CCOC[C@H]3C)nc2c1C 794480818 AXZJTSDTNQNXET-CYBMUJFWSA-N 297.402 3.984 30 20 CHED C/C(=C\Cl)CS[C@@H](C#N)Cc1ccccc1 797809648 FBORJCCZUHBOII-RUNBWSAHSA-N 251.782 3.997 30 20 CHED C#CCCN[C@@H](C)C(c1ccccc1)c1ccccc1 70245121 LNRLLCMDOFVULR-INIZCTEOSA-N 263.384 3.820 30 20 CHED CCCCCCCCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 796328193 DLKRWWDHXYUVCW-UONOGXRCSA-N 295.389 3.840 30 20 CHED C=C(C)COc1c(C(F)(F)F)ccnc1Br 791434349 KXCFYXJRXWCGND-UHFFFAOYSA-N 296.086 3.818 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)c(F)c1 187510823 GGRUUTSIEJTQPH-UHFFFAOYSA-N 276.355 3.679 30 20 CHED CC(C)Cc1ccccc1C(=O)[C@@H](C#N)c1ccccn1 791770855 APWSSQJXQYGJQD-INIZCTEOSA-N 278.355 3.770 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CCOC2(CCOCC2)C1 793546985 HIJSMHZKKBOOQV-SJORKVTESA-N 295.467 3.829 30 20 CHED CC[C@H](C)CON=Cc1c[nH]nc1-c1cccs1 793158414 FOAWPIYKGMJJBN-JTQLQIEISA-N 263.366 3.535 30 20 CHED CC[C@]1(C)CCCN(C(=O)c2ccc(C)c(C#N)c2)C1 799647939 NSLCDEUXUHUOAH-QGZVFWFLSA-N 270.376 3.519 30 20 CHED CC(=NNc1ccccc1F)c1ccnn1-c1ccccc1 799106566 JLEHXECJVDFHKD-UHFFFAOYSA-N 294.333 3.848 30 20 CHED Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2C)cc1C#N 799316907 NKCWRVJTRLIHNW-OAHLLOKOSA-N 292.382 3.536 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)[C@@H]1CCC(F)(F)C1 796374783 CHYSVYTZIZVGAQ-GFCCVEGCSA-N 298.716 3.670 30 20 CHED CC(C)(C/N=C\c1cc(Cl)ccc1O)CN1CCCC1 790098319 GVHKKVSQMQMRAA-ZDLGFXPLSA-N 294.826 3.587 30 20 CHED Clc1cccc(NN=C2CCC[C@@H]2c2ccccn2)n1 793174551 KIIARVWVWNZENJ-LLVKDONJSA-N 286.766 3.866 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C/C(=O)c1cccc(O)c1 794934517 SUDRQLSCZBHYNG-VOTSOKGWSA-N 296.322 3.603 30 20 CHED COc1ccc(Br)cc1OCCC(C)(C)C#N 598729535 GQEVCGCBZWRPLC-UHFFFAOYSA-N 298.180 3.776 30 20 CHED CSCCON=C1CCCOc2c(Cl)cccc21 794576132 DPXGQZKVIPOMBW-UHFFFAOYSA-N 285.796 3.596 30 20 CHED CSCCON=Cc1ccc(-c2ccccc2)o1 794576145 FDFBWOAUWCWYAB-UHFFFAOYSA-N 261.346 3.660 30 20 CHED CC(F)(F)c1ccc(C(=O)OCCCCC#N)cc1 796256365 PLNHCLOYFHOOKR-UHFFFAOYSA-N 267.275 3.649 30 20 CHED CCc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 17368307 NZVSLHSYMWOQTA-UHFFFAOYSA-N 264.328 3.567 30 20 CHED C[C@H]1CN(c2ccnc(C#N)c2)CCc2ccc(Cl)cc21 1150928716 DXHJEMSSYUKQGL-LBPRGKRZSA-N 297.789 3.773 30 20 CHED CCN(CC(C)C)c1nccc(Oc2cccc(C#N)c2)n1 1306918714 UJIJECHYILJWBC-UHFFFAOYSA-N 296.374 3.623 30 20 CHED COc1cccc(CSc2cc(C#N)ccn2)c1C 1307290560 KXYMPWXOIVKEKS-UHFFFAOYSA-N 270.357 3.563 30 20 CHED Cc1ccccc1COC(=O)C1(c2cccc(C#N)c2)CC1 1319917355 VZYAPSJNXRGJFE-UHFFFAOYSA-N 291.350 3.642 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)Nc1ccc(F)cc1C#N 1310386170 QMOWRELYDLPPFW-LBPRGKRZSA-N 289.354 3.645 30 20 CHED Cc1cc(C)cc(NC(=O)CC#Cc2ccccc2)c1 1319307359 DFNUYBCZEYAYGD-UHFFFAOYSA-N 263.340 3.684 30 20 CHED Cc1cc(C=NNCc2ccc(F)cc2)c(C)n1C1CC1 1319278228 NPOLHADQONXWJH-UHFFFAOYSA-N 285.366 3.703 30 20 CHED C=C[C@H](COC)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 1320313368 TWCFFUPMCCAQIF-IAGOWNOFSA-N 275.367 3.552 30 20 CHED C=CC[C@H](C(=O)OCC[C@H](C)C(C)=O)c1ccccc1 1327967713 RVZSYCDWVRGOPL-BBRMVZONSA-N 274.360 3.505 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2ccc(F)cc2)s1 1324017634 YQRGTMZWLAIXCI-AWEZNQCLSA-N 291.391 3.845 30 20 CHED COC(=O)c1cccc(/C=C2\Cc3cc(C)ccc3C2=O)c1 1322547195 UKEIDROAMSIOIY-MHWRWJLKSA-N 292.334 3.604 30 20 CHED COc1cc(O)ccc1C=NNc1cccc2c1CCCC2 1321782938 CEERTASGRRLQQV-UHFFFAOYSA-N 296.370 3.726 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cccc(C(F)F)c2)C1 1321283530 ZODITQCTLVMGPN-SMDDNHRTSA-N 264.319 3.796 30 20 CHED C[C@@H]1CCCC[C@H]1CCNc1cccc(CC#N)n1 1325709410 BMPKKPJPBHVMHA-KGLIPLIRSA-N 257.381 3.776 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1cc(F)ccc1OC 1332963001 DTRRESHLGXMPJN-NEPJUHHUSA-N 279.355 3.614 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccnc(Cl)c1 1337310347 WJMFLFQXONDKHF-LLVKDONJSA-N 287.750 3.810 30 20 CHED C=C(C)[C@H](Cc1nnc(-c2ccccc2Cl)o1)OCC 1333055314 BQOMNUATPLQCDW-ZDUSSCGKSA-N 292.766 3.914 30 20 CHED CCCOc1cccc(C(=O)O[C@@H](CC#N)c2ccco2)c1 1263660270 AYRXPKGQPZKCMB-INIZCTEOSA-N 299.326 3.880 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccsc2C#N)C1 1265030036 PAXLWUGKDYLNEU-VXGBXAGGSA-N 276.405 3.564 30 20 CHED C=CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 1262556416 MRCCNPHIJYFCPS-UHFFFAOYSA-N 278.311 3.784 30 20 CHED C#CCN(C(=O)Nc1ccccc1CC(F)(F)F)C(C)C 1354676603 UMPLCSFXYSZYGO-UHFFFAOYSA-N 298.308 3.667 30 20 CHED N#Cc1cccc(C(=O)NC2CCC(C3CCC3)CC2)c1 1280034414 DPVIQSKREBGCGN-UHFFFAOYSA-N 282.387 3.647 30 20 CHED CCCCC[C@H](CC)C(=O)[C@H](C#N)c1ncc(Cl)n1C 1520028409 CCOTXYMYKYCEDC-RYUDHWBXSA-N 295.814 3.856 30 20 CHED C=C(CC)C(=O)N(C)Cc1cccc(Cl)c1Cl 1528001770 IGRGXKVSYJDFHZ-UHFFFAOYSA-N 272.175 3.918 30 20 CHED CC(C)[C@H]1CN(C(=O)Nc2sccc2C#N)[C@H]1C(C)C 1467002770 ZVCWTAXQSCDWID-OLZOCXBDSA-N 291.420 3.764 30 20 CHED CC1(C)/C(=C/c2cc(C(=O)O)co2)C(=O)c2ccccc21 1604506363 VQCPVAHDTSBFEA-RIYZIHGNSA-N 282.295 3.535 30 20 CHED Cc1cc(NC(=O)c2cccc(SCC#N)c2)cs1 1533952253 SPVPZKNEPFSNGY-UHFFFAOYSA-N 288.397 3.925 30 20 CHED C=C(CNC(=O)NC[C@H]1CCC[C@@H]1CC)c1ccccc1 1478663062 YENXWURQKQJRIB-DOTOQJQBSA-N 286.419 3.825 30 20 CHED C=C(Br)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C 1473216053 PHLZFUCQKDIXSA-ZFWWWQNUSA-N 294.236 3.848 30 20 CHED CC(C)(C)[C@@H]1CCCN1C(=O)[C@H](C#N)CCc1ccccc1 1620921990 NCYRYZDMOIIBAI-IRXDYDNUSA-N 298.430 3.796 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C)cc(C#N)c1)[C@@H]1CC1(C)C 1562939826 WRRPIRHXMJWEIF-LSDHHAIUSA-N 285.391 3.813 30 20 CHED CC(=O)c1ccc(Oc2nc(C#N)c(Cl)s2)c(C)c1 1642214414 DHWHKQMXGKNYLO-UHFFFAOYSA-N 292.747 3.972 30 20 CHED CCCCC1CCC(N=c2cc[nH]c(C#N)c2)CC1 1650666865 QQBUVLATROJFIQ-UHFFFAOYSA-N 257.381 3.536 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H](C)c2ccccc2)c1 1583754809 DDPFBWVPRCZEFI-AWEZNQCLSA-N 278.355 3.999 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CC[C@@H]1C1CCC1 1658800143 ZRGANJLICRGJPO-CABCVRRESA-N 270.376 3.948 30 20 CHED CCCN(CC#N)Cc1csc(C2CCCCC2)n1 123021701 UUMHXQWRMUOGET-UHFFFAOYSA-N 277.437 3.926 30 20 CHED C[C@@H]1CN(C(=O)[C@@H](CC#N)c2ccccc2)CC(C)(C)C1 1597492804 MYHVFKAERLSEPB-HOCLYGCPSA-N 284.403 3.578 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@@H](CC)CCCC)C1 1776154547 JZUBKCPQOPOFEF-RDJZCZTQSA-N 281.440 3.946 30 20 CHED C=CCc1ccccc1CN(C)Cc1cc(C(=O)O)c(C)o1 1776189074 GZLPGJDPRYPCEB-UHFFFAOYSA-N 299.370 3.647 30 20 CHED C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 160668907 LQGCWGMCJLDQPC-INMHGKMJSA-N 299.418 3.719 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(F)cc1C 167979215 XVTZGKYQNJFZBB-UHFFFAOYSA-N 285.318 3.984 30 20 CHED CC(C)[C@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 153170884 VTLHODLCCDZFAB-GDBMZVCRSA-N 272.392 3.830 30 20 CHED N#CCCCOc1cccc(CNCCC2CCC2)c1 153533323 KCQJLCKUQHWAKC-UHFFFAOYSA-N 272.392 3.649 30 20 CHED CC(C)c1cnc(CNc2cccc(C#N)c2)s1 154055951 SNJVDEVQKVEICW-UHFFFAOYSA-N 257.362 3.750 30 20 CHED C=C(C)CNC(=O)N(C)[C@H](C)c1nc2ccccc2s1 156668866 WQKNXAJSIKWSKZ-LLVKDONJSA-N 289.404 3.575 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F 156846641 GZCWHJJSDYYKOX-UHFFFAOYSA-N 294.326 3.552 30 20 CHED C=CCN(C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 156860520 DGHAVZSDRKZXAH-LBPRGKRZSA-N 262.353 3.514 30 20 CHED N#Cc1ccc(OCC(=O)c2cccc(Cl)c2)c(F)c1 127500476 QDVMYXSDHKOMNG-UHFFFAOYSA-N 289.693 3.612 30 20 CHED Cc1ccccc1CCNc1nccc(C#N)c1Cl 235783996 KYXFLLTZSJDTOA-UHFFFAOYSA-N 271.751 3.570 30 20 CHED N#CCc1ccc(N[C@H]2Cc3ccc(Cl)cc3C2)cc1 158877216 AYESODGJISXHSQ-KRWDZBQOSA-N 282.774 3.985 30 20 CHED Cc1ccc(Cl)c(OCCOc2ccc(C#N)cc2)c1 34651424 SFPJMPFTNMPMMN-UHFFFAOYSA-N 287.746 3.978 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCC1CCC1 175519372 MIFRMPDJSNOMIO-UHFFFAOYSA-N 257.377 3.782 30 20 CHED N#CCCCN(Cc1ccccc1)Cc1ccco1 49968000 GPDRXYAMKBHEEK-UHFFFAOYSA-N 254.333 3.586 30 20 CHED N#Cc1ccccc1Oc1nc(Cl)nc2ccccc12 52811347 LEEGVCNWHRLMFT-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1snc(Cl)c1C#N 301955988 MBMUAURFVLHKOV-HTQZYQBOSA-N 257.790 3.905 30 20 CHED C=C(Cl)CN1CCC[C@H]1c1ccc(OC)cc1 302746032 GKCUTJKQUDNYQW-AWEZNQCLSA-N 251.757 3.585 30 20 CHED N#CCCCCNC(=O)Nc1cccc(C(F)(F)F)c1 70940829 XFKPOVUCEJOCMM-UHFFFAOYSA-N 285.269 3.521 30 20 CHED C=CC[C@@H](CC)NCc1cscc1Br 308604909 PHWVSDZLCWDBKL-SNVBAGLBSA-N 274.227 3.955 30 20 CHED CCCc1sc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1CC 331096133 LSXJTIGLSHEZDU-STQMWFEESA-N 290.432 3.685 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 332704105 WIMPQYGSYYSGHX-QLFBSQMISA-N 276.424 3.649 30 20 CHED Cc1ccccc1NC(=O)Nc1sccc1C#N 585201460 NOTZRSPMHQDOPF-UHFFFAOYSA-N 257.318 3.572 30 20 CHED Cc1nc(Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1C#N 380182348 AKNMAVSAWNMCTG-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CC[C@H](COc1ccc(C#N)cc1F)CC(F)F 594892924 LUEVYDCCPSYCRG-VIFPVBQESA-N 257.255 3.758 30 20 CHED CCC(C#N)(CC)C(=O)NCC(C)(C)CC(C)C 391292549 AZOSDNLEFWZPKA-UHFFFAOYSA-N 252.402 3.505 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1cccc(C#N)c1F 396894720 YQPQKZOAQZXEJX-HNNXBMFYSA-N 260.356 3.708 30 20 CHED Cc1ccccc1[C@H](C)NCc1ccc(CC#N)cc1 399022299 HUCQKYDIYQEZDA-HNNXBMFYSA-N 264.372 3.912 30 20 CHED C#CCN(C(=O)[C@H](C)C1CCCC1)C1CCCCC1 749362318 ILDXXOQFYMCNDT-CQSZACIVSA-N 261.409 3.607 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Br)c(C)c1 767046676 KPJXXDWJAKDUSH-UHFFFAOYSA-N 294.192 3.746 30 20 CHED N#Cc1cccnc1NC[C@H]1CCCC[C@@H]1C(F)(F)F 484829491 NLKWGIVBDIWILS-NEPJUHHUSA-N 283.297 3.734 30 20 CHED C[C@H](C#N)Sc1nc(C(F)(F)F)nc2ccccc12 7160885 LFZDHCQLRXIRIP-SSDOTTSWSA-N 283.278 3.653 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 104976054 ALEPALDSDGUARC-UHFFFAOYSA-N 297.742 3.678 30 20 CHED Cc1ccc2oc(C(=O)[C@@H](C#N)c3ccccn3)cc2c1 108498923 MZSQHBRRMDPHAW-ZDUSSCGKSA-N 276.295 3.626 30 20 CHED COc1ccccc1CN(Cc1ccccc1C#N)C1CC1 52182794 WMASSQCTTOHNSO-UHFFFAOYSA-N 292.382 3.731 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1O 23164380 NWUQRWYEYNPEGJ-SOFGYWHQSA-N 268.312 3.605 30 20 CHED C=CCNC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 59035461 IJUZQAWBLRPNIB-AWEZNQCLSA-N 260.381 3.649 30 20 CHED N#Cc1cccc(CSCCCOCC(F)(F)F)c1 105634342 YAQRHYXBMFOKFX-UHFFFAOYSA-N 289.322 3.760 30 20 CHED CSc1ccsc1C(=O)[C@@H](C#N)c1nc(C)cs1 107407866 HRDXDMFUOCPFNE-MRVPVSSYSA-N 294.426 3.725 30 20 CHED COc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 114759640 VGPLSEYUYDPUCT-CYBMUJFWSA-N 282.343 3.598 30 20 CHED C=CCCCN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 117876350 DLMMQABTSRHWDP-OAHLLOKOSA-N 296.455 3.532 30 20 CHED COc1ccc([C@H](Nc2cccc(C#N)n2)C(C)C)cc1 301503551 GAWGEFMIZNGLBM-QGZVFWFLSA-N 281.359 3.771 30 20 CHED C=CCCCC(=O)Nc1ccccc1NC(=O)NC(C)C 177539311 UFRLAVQJQNZFLC-UHFFFAOYSA-N 289.379 3.511 30 20 CHED N#Cc1cc(F)ccc1NCCCCCN1CCCCC1 301396232 MOTVXTAJSWQPNB-UHFFFAOYSA-N 289.398 3.765 30 20 CHED CC[C@]1(C)CCCN(c2cc(C(C)=O)ccc2C#N)C1 302127198 WVOKTPUCYOAUJK-QGZVFWFLSA-N 270.376 3.777 30 20 CHED CC(C)c1ccc(CCC(=O)N(C)C2(C#N)CCC2)cc1 66321714 UDKOZTXAGNAUNR-UHFFFAOYSA-N 284.403 3.647 30 20 CHED CN(C(=O)c1ccc(Oc2ccccc2)o1)C1(C#N)CCC1 176167624 NLFKROXHALQSOV-UHFFFAOYSA-N 296.326 3.590 30 20 CHED CC(C)(CC(=O)[C@H](C#N)c1ccccn1)c1ccccc1 67798204 VAPQOECFSMQVDL-OAHLLOKOSA-N 278.355 3.626 30 20 CHED CC(C)(CCC#N)CNCCSCc1ccccc1F 174244682 BFHHOSITNWKMQY-UHFFFAOYSA-N 294.439 3.978 30 20 CHED CC(C)c1ccccc1OC(=O)c1sccc1C#N 127991582 KNSAOKCDDBDZRC-UHFFFAOYSA-N 271.341 3.962 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC2(C)CCCC2)cc1 66594325 BGRBFUZPPDIHND-AWEZNQCLSA-N 272.392 3.647 30 20 CHED CN(CCC#N)c1ccc(CN2CCCC(C)(C)C2)cc1 121142127 WZZZMSXGHCCNIH-UHFFFAOYSA-N 285.435 3.658 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1CSC 184737164 TZAAIICUEOITAN-UHFFFAOYSA-N 278.421 3.980 30 20 CHED C#CCOc1ccc(C(=O)Nc2ccccc2SC)cc1 129105189 UXLGKXFZLJQIKH-UHFFFAOYSA-N 297.379 3.673 30 20 CHED CCN(CCC#N)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 121395167 QUAFPHPOLNUKSE-CQSZACIVSA-N 298.390 3.650 30 20 CHED N#Cc1cccc(CNc2ccc(N3CCCC3)cc2)c1 35046114 DZWMZOBUPUCXGX-UHFFFAOYSA-N 277.371 3.771 30 20 CHED C#Cc1cccc(NC(=O)c2cc(Cl)nc(Cl)c2)c1 36961017 CTFMRRPVLKIBSF-UHFFFAOYSA-N 291.137 3.622 30 20 CHED COc1cccc(CSCCCC(C)(C)C#N)n1 180475410 HJSSUHATXUJLCF-UHFFFAOYSA-N 264.394 3.653 30 20 CHED C=CCn1c(S[C@@H]2C=CCCC2)nnc1C1CC1 76609505 XDAIZZHNVRXEQV-GFCCVEGCSA-N 261.394 3.542 30 20 CHED CCN(Cc1ccccn1)[C@@H](C)c1cccc(C#N)c1 189921654 AYOSWTWDOJGYMY-AWEZNQCLSA-N 265.360 3.536 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1ccco1)c1ccccc1 123242791 QAFUGPNLVVTDOB-CQSZACIVSA-N 269.344 3.598 30 20 CHED CSc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 434024450 XXXLBSWUGFDJFZ-CQSZACIVSA-N 288.416 3.563 30 20 CHED C=CCN(CCc1ccccc1)Cc1nc(C)cs1 129815804 PZNYSEPXEWYSJM-UHFFFAOYSA-N 272.417 3.682 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)[C@@H](C)CC 183388735 OIFSPPWFRYRRPF-NWDGAFQWSA-N 274.364 3.578 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@H]1C1CCCCC1 509978083 SABLZFPASGEQLM-IRXDYDNUSA-N 282.387 3.565 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)[C@@H](C)C2 180145841 FXCHZGXAWLHKIK-LIRRHRJNSA-N 276.383 3.890 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCSC2(CCC2)CC1 411867043 IKIZLCXCVFWLQD-CQSZACIVSA-N 286.444 3.981 30 20 CHED CCSc1cccc(NC(=O)N[C@@H](CC)CC#N)c1 184566247 VMEUJNXKUUBOMD-NSHDSACASA-N 277.393 3.612 30 20 CHED N#Cc1cccc(OCC2CCC(F)(F)CC2)c1 412980241 DOLZCSMJKBJCCZ-UHFFFAOYSA-N 251.276 3.763 30 20 CHED C=CCCCCCN1CCO[C@H](c2cccc(F)c2)C1 487865244 DKTHJEVEJTVVGO-KRWDZBQOSA-N 277.383 3.945 30 20 CHED COc1ccc(OC(F)F)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 185738430 QHYIOPWUPKSLET-GHMZBOCLSA-N 296.317 3.791 30 20 CHED C=CC[C@H](C(=O)NCc1ccccc1OC)c1ccccc1 186026790 WEQGEZRAMIAZRX-KRWDZBQOSA-N 295.382 3.671 30 20 CHED C=CCCCCNC(=O)[C@H](OC(C)C)c1ccccc1 500763706 PBTOPGYHVIYTNA-MRXNPFEDSA-N 275.392 3.625 30 20 CHED Cn1c(C2CC2)nc2cc(N[C@@H]3CCC[C@@H](C#N)C3)ccc21 185890522 ITAXZFDXRRFQLL-TZMCWYRMSA-N 294.402 3.945 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2ccccc2C#N)cc1 182478562 FDBBRRJOHAPVRR-AWEZNQCLSA-N 278.355 3.684 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 187117799 RHKMCZLHYCKBIU-IAGOWNOFSA-N 286.419 3.615 30 20 CHED N#CC1(CNc2ncc(-c3ccccc3)s2)CCC1 419018494 HMZCISIVASJUOA-UHFFFAOYSA-N 269.373 3.916 30 20 CHED C=CCN(CC1CCCCC1)S(=O)(=O)c1ccsc1 509457033 ZNUDPIHHGKYMJA-UHFFFAOYSA-N 299.461 3.505 30 20 CHED C=CCN(CCc1ccco1)[C@@H](C)c1cccc(C#N)c1 411488563 ISHJBGJAVFWACX-HNNXBMFYSA-N 280.371 3.943 30 20 CHED C=CCCCN(C)C(=O)NCc1ccc2ccccc2c1 77593542 OVLKZUIKBAZRFN-UHFFFAOYSA-N 282.387 3.947 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1nc2c(s1)CCCC2 130199496 SHUHFMXJXWONLJ-GFCCVEGCSA-N 297.427 3.744 30 20 CHED N#Cc1ccc(N2CC[C@H](c3ccccc3F)C2)cc1 501275933 UGORXOIKYFVBBS-AWEZNQCLSA-N 266.319 3.691 30 20 CHED C[C@@H]1CCCN(c2cccc(Br)c2C#N)C1 228703525 LSNJACHJNVTKMW-SNVBAGLBSA-N 279.181 3.557 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 46911467 RRDATJUUYZMNGL-VXGBXAGGSA-N 296.292 3.865 30 20 CHED N#Cc1ccc(-c2nc([C@@H]3CCc4ccccc43)no2)cc1 320033754 HTWXKOKMCANJCK-MRXNPFEDSA-N 287.322 3.686 30 20 CHED C=CCn1nc(-c2ccc(C)c(C)c2)c2ccccc2c1=O 503577006 TYHSSIMPOGIWDO-UHFFFAOYSA-N 290.366 3.866 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2cnco2)cc1 190753510 HTGZRVDJMKZHSG-MRXNPFEDSA-N 270.332 3.882 30 20 CHED C=CCCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 132564979 XNPIDKRDPWFAGA-QGZVFWFLSA-N 280.371 3.532 30 20 CHED Cc1c(NC(=O)C(C)(C)C(C)(C)C)ccc(C#N)c1C#N 421558210 MLWRXUCYVNSVAY-UHFFFAOYSA-N 283.375 3.749 30 20 CHED N#CCCSc1nc(-c2ccc(F)cc2)cs1 194210693 QQBPZFPQDVOXTM-UHFFFAOYSA-N 264.350 3.955 30 20 CHED N#Cc1c(NC(=O)c2ccoc2Cl)sc2c1CCC2 192393936 KIHQYLHLDZBUKQ-UHFFFAOYSA-N 292.747 3.607 30 20 CHED CC[C@H](C)CC(=O)Oc1c(Cl)cc(C#N)cc1OC 191848488 FLQOESDYCFTPMP-VIFPVBQESA-N 281.739 3.562 30 20 CHED CN(CC(C)(C)C#N)c1nc(C2CCCCC2)ns1 420640951 SEPPBDWKZCOXGC-UHFFFAOYSA-N 278.425 3.572 30 20 CHED CCN(C(=O)c1ccc(C)o1)[C@H](C)c1ccc(C#N)cc1 45499328 OHGGJQOYKCHHLU-CYBMUJFWSA-N 282.343 3.683 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 134837023 CNUBPORQJLRPKK-GOSISDBHSA-N 298.430 3.953 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccs1 194590760 PMZQTQOMKHCBNT-LLVKDONJSA-N 285.372 3.811 30 20 CHED CCN(Cc1cccc(F)c1C#N)c1ccccc1OC 428374701 OZNDPWNCLNAXTE-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CC(C)[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 49603914 ASXRGPWDPXKAOT-SFHVURJKSA-N 292.382 3.880 30 20 CHED C=CCCCC(=O)Nc1cnn(C2CCCC2)c1C 192727289 ABQSACKGMZIFMN-UHFFFAOYSA-N 261.369 3.601 30 20 CHED CCC[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1ccccn1 339281133 IKSXJQIRODMXRW-RVKKMQEKSA-N 299.418 3.554 30 20 CHED CC[C@H](C)C[C@H](C)/N=C(/O)c1coc(C2CCOCC2)n1 330406948 GFODIWGJTKDXOM-RYUDHWBXSA-N 294.395 3.698 30 20 CHED CCC[C@H](C(=O)N[C@@]1(C#N)CCC[C@H](C)C1)c1ccccn1 339281128 IKSXJQIRODMXRW-MPGHIAIKSA-N 299.418 3.554 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cccc(OCC)c1 191163191 LSOCTIDXTMWHDP-DYVFJYSZSA-N 275.392 3.865 30 20 CHED C[C@H](N[C@H](C)C1CCSCC1)c1cccc(C#N)c1 614633749 AMMBBXFIVQWECS-OLZOCXBDSA-N 274.433 3.741 30 20 CHED N#CCC1CCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 336202651 CUBLQLOZLAQYQQ-QZTJIDSGSA-N 296.414 3.723 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(F)ccc2Cl)C1 614991343 NCQKHQAWCKFLBB-CQSZACIVSA-N 266.747 3.605 30 20 CHED Cc1cc(C#N)ccc1OCc1cc(F)ccc1F 530994819 WNCRSVQNIXLYDW-UHFFFAOYSA-N 259.255 3.724 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 96767114 VWDSGEBDLACRDW-CLFYSBASSA-N 297.310 3.808 30 20 CHED COc1cc(Cl)ccc1C/N=C(/O)N[C@@H]1CC[C@@H](C)C1 331217814 GPTDZPWTMJERHZ-ZWNOBZJWSA-N 296.798 3.541 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccccn1 90665160 SIVYTLHAERNJOD-PBHICJAKSA-N 265.360 3.777 30 20 CHED N#Cc1ccc(Cl)c(C(=O)NC2CCCCCC2)c1 332370630 VRMOERLLGNXLNO-UHFFFAOYSA-N 276.767 3.664 30 20 CHED Cc1ccsc1CN1CCC(C#N)(c2ccccn2)CC1 334188303 IKGXMPPNRBYLNK-UHFFFAOYSA-N 297.427 3.509 30 20 CHED N#Cc1ccn(CCc2cccc(Cl)c2Cl)c1 432667513 HFBGVNDXHNCIIG-UHFFFAOYSA-N 265.143 3.909 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 337775902 XSAYFJNSIUZPGG-YOEHRIQHSA-N 282.387 3.662 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2cnn(CC)c2c1 335204263 VBCSAUXJZQSQFY-HNNXBMFYSA-N 298.390 3.629 30 20 CHED C=C[C@@H](C)NC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 438927521 PSRBCGSYWXLCHR-CYBMUJFWSA-N 273.420 3.952 30 20 CHED CCCc1c(NCC2CC2)cnn1-c1cccc(C#N)c1 438907044 JUTOJMDJVAWUBB-UHFFFAOYSA-N 280.375 3.518 30 20 CHED CC(C)N(CCC#N)Cc1cc(F)ccc1Br 535796169 YQNRQZJHWLYZLD-UHFFFAOYSA-N 299.187 3.712 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCSc3ccc(F)cc32)C1 349355067 NPNOZHRFZBCGFX-OSMZGAPFSA-N 276.380 3.644 30 20 CHED CC(C)CN(CC[C@@H]1CCCN1C)Cc1ccc(C#N)cc1 348047462 NUDJUWSINUAMFH-IBGZPJMESA-N 299.462 3.501 30 20 CHED C=CCOc1ccc(C(=O)NC2CCC(F)(F)CC2)cc1 341520039 BXHZDUWQGXOZQV-UHFFFAOYSA-N 295.329 3.559 30 20 CHED N#Cc1cc(C(=O)Nc2cc(Cl)ccc2F)ccc1F 348656823 CPWHSNYCAVKDNN-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCC(C#N)(CC)c1nc(-c2sccc2C)no1 528198704 SPXKFEJMRBOMAK-UHFFFAOYSA-N 261.350 3.688 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1cc(F)cc(F)c1 255893954 MHUSFDKVSZMMRE-WAYWQWQTSA-N 269.250 3.733 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC=CCC1 341761754 RSBUJUPBUFZWIS-KBXCAEBGSA-N 266.388 3.882 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435356968 JPFAJUWTJPHXFN-PBHICJAKSA-N 286.375 3.720 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(C(F)(F)F)c1 600118240 SPXZBCSDTFPGKZ-QMMMGPOBSA-N 262.300 3.501 30 20 CHED Cc1ccc(C=NOCc2cccc(F)c2F)cc1 255207951 KFCKAQUUMUDPFF-UHFFFAOYSA-N 261.271 3.824 30 20 CHED CC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(C#N)cc1 601306783 RFIFVVFHVMIGQH-JHJVBQTASA-N 268.282 3.550 30 20 CHED CCCCO[C@@H]1C[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1(C)C 447587490 QMDWDLMLHLNZBC-FXUDXRNXSA-N 278.440 3.642 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 255695159 HVWRBQZTGHAOGG-MSKHEQNASA-N 282.368 3.731 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCCC(C)(C)CC1 359104744 CYQWNMACELAMGY-UHFFFAOYSA-N 288.439 3.748 30 20 CHED CC1=NN(c2cc(Cl)ccc2Cl)C(=O)[C@@H]1CCC#N 601939339 NOMVWEGXAHEMLN-SNVBAGLBSA-N 296.157 3.636 30 20 CHED C[C@@H](CCC#N)CN1CCO[C@@H](c2cccc(Cl)c2)C1 602610083 FNDKXGYKQSCHNF-XJKSGUPXSA-N 292.810 3.653 30 20 CHED C[C@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)CCC2 602521644 PFARSQZWGXYGJE-CQSZACIVSA-N 284.403 3.686 30 20 CHED CC(C)Oc1cccc([C@H](C)Nc2cccnc2C#N)c1 357305031 ROKFBUNBJFENEG-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1c(F)cccc1F 538626098 LVPHJUKNTZCKQY-GHMZBOCLSA-N 282.334 3.680 30 20 CHED N#Cc1cc(Cl)ccc1SCC1(C#N)CCC1 601912869 MYFRIOBCKIZZPV-UHFFFAOYSA-N 262.765 3.998 30 20 CHED Clc1cccc(C#CCN2CCc3ccsc3C2)c1 535574961 DXMBWKUMAMBBLH-UHFFFAOYSA-N 287.815 3.811 30 20 CHED CCC(=O)c1ccc(OCc2cccc(C#N)c2)c(F)c1 532271230 FAAJFLIQWNGNLE-UHFFFAOYSA-N 283.302 3.869 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(C2=CCCC2)cc1 353454699 VKHSMKZCBJSQGB-CQSZACIVSA-N 282.387 3.876 30 20 CHED CCSCC[C@@H](C)N(C)CCCC(C)(C)C#N 350115288 MBEUHKWYDNLICZ-CYBMUJFWSA-N 256.459 3.780 30 20 CHED C=CCN(CCc1ccco1)c1ncnc2ccc(F)cc12 352082815 LVKXXPYCXQXEHK-UHFFFAOYSA-N 297.333 3.597 30 20 CHED CC(C)Oc1ccc(N/C(N)=N/[C@@H]2C[C@@]2(C)C(C)C)cc1 263058350 FGGITXDTTVXFKJ-WBVHZDCISA-N 289.423 3.635 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 356496160 MQKCUNVLGCOANX-XJKCOSOUSA-N 270.376 3.562 30 20 CHED C=CCC[C@H](Nc1cccc(OCCOC)c1)C1CC1 538527658 UXRVOGKEZKWMHW-KRWDZBQOSA-N 275.392 3.869 30 20 CHED CSc1ccc(CNCC(C)(C)CCC#N)s1 352896118 OEIVHVROOUNDKJ-UHFFFAOYSA-N 268.451 3.890 30 20 CHED C=CC1CCN(C(=O)[C@@H](CCC)CC(C)C)CC1 449853654 HFGGAFPRSSULRY-HNNXBMFYSA-N 251.414 3.873 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(C)c1ccc(C#N)cc1 535619761 GFQOYBCXOMBXOH-GFCCVEGCSA-N 258.365 3.593 30 20 CHED C=CCOc1ccc(C(=O)N(CC)CCC2CC2)cc1 354867913 LEAUJLAKFZUWLV-UHFFFAOYSA-N 273.376 3.514 30 20 CHED Cc1c(C#N)cccc1NCc1cnc([C@H]2CCCO2)s1 354784882 HZSFQJFPDIRHOT-OAHLLOKOSA-N 299.399 3.787 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(c2cccc(C#N)n2)C1 535128455 IADWUKKGUUUZOE-WBMJQRKESA-N 281.334 3.680 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1Cc2cccc(O)c2C1 449281592 DGTRXXZHAVBECI-DZGCQCFKSA-N 259.393 3.584 30 20 CHED C=CCSCCN[C@@H](CC)c1ccc(F)cc1F 358020134 LSMLUEQQOWREBA-AWEZNQCLSA-N 271.376 3.925 30 20 CHED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1C(=O)N(C)C(C)C 442880975 YNBKBIHUJOAOQT-LSDHHAIUSA-N 299.418 3.580 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 267830586 CSXXLDQSXGIHAS-XFRGYXEISA-N 288.778 3.767 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H](c3nccs3)C2)CC1 355638857 WMQRVJWRAFRMII-ZDUSSCGKSA-N 290.432 3.596 30 20 CHED C=CCC1(C(=O)NCc2ccc(OC)c(F)c2)CCCC1 449467886 NKDQGVPASLQCQA-UHFFFAOYSA-N 291.366 3.587 30 20 CHED CC1(C)CCC[C@H](NC(=O)CC#Cc2ccccc2)C1 1343402751 GVHGHLWPUIVISC-INIZCTEOSA-N 269.388 3.513 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1cnn(C(C)C)c1 537186067 FWORBBJWVYGSPG-UONOGXRCSA-N 292.427 3.569 30 20 CHED C=C(CC)CSc1nnc(Cc2ccccc2)n1CC 536905880 SENNKFWSPVRLBF-UHFFFAOYSA-N 287.432 3.947 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 452561891 MJHAIRHCVTWMQU-BPUTZDHNSA-N 276.424 3.791 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2nc(C3CC3)sc2c1 362678396 CJCFLZGNWTVZPM-SECBINFHSA-N 287.388 3.870 30 20 CHED C=C(CNC(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1)c1ccccc1 458757666 KVCKVGRBMKSJOT-ZWKOTPCHSA-N 296.414 3.530 30 20 CHED CCc1ccc(-c2ccc(C(=O)NCC(C)(C)C#N)o2)cc1 611695471 VNQACWDSXKHWIL-UHFFFAOYSA-N 296.370 3.789 30 20 CHED C=CCC1(C(=O)N(C)CC[C@@H]2CCCO2)CCCCC1 451059942 VLDSMSGAJVCFBQ-HNNXBMFYSA-N 279.424 3.541 30 20 CHED CCC[C@@H](NC(=O)[C@@H](C)ON=C1CCC1)c1ccccc1 267457217 SEDZBWFNLYYAIE-CZUORRHYSA-N 288.391 3.589 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1ccccc1F 455373298 VXQCIAPUMQNJQH-GFCCVEGCSA-N 278.371 3.740 30 20 CHED Cc1noc(C)c1[C@H](C)Nc1ncc(Cl)c(C)c1C#N 612079551 WGANZPPENBVEEY-QMMMGPOBSA-N 290.754 3.693 30 20 CHED C[C@@H](SCc1ccc(F)cc1C#N)C(=O)OC(C)(C)C 610009241 XCIHLXUUWCWRHU-SNVBAGLBSA-N 295.379 3.661 30 20 CHED C=CCC1(C(=O)N2C[C@H]3CCC[C@H]3C2)CCCCC1 450087516 DETXYCSDFQWLCH-GASCZTMLSA-N 261.409 3.772 30 20 CHED C=CCC1(C(=O)NCC2(CCO)CCCC2)CCCCC1 450118911 OINKMKXQOSGHCW-UHFFFAOYSA-N 293.451 3.572 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1sccc1CC 272571435 VHZIRSZOHWCJMQ-UHFFFAOYSA-N 289.400 3.774 30 20 CHED COc1ccccc1C(C)(C)CN[C@H]1CCC[C@@H](C#N)C1 618570459 CTCJLKMLDOUZBD-CABCVRRESA-N 286.419 3.645 30 20 CHED C=CCCOc1c(F)cc(Br)cc1C(C)=O 541290529 NNYBSGVQGQVKGR-UHFFFAOYSA-N 287.128 3.746 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCOC(C)(C)C1)C1CC1 453431863 RTZFYOQPGUNKME-UKRRQHHQSA-N 251.414 3.526 30 20 CHED CC1(C)CCC[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 619762519 LPDSBDCBYHMJCE-CYBMUJFWSA-N 290.794 3.654 30 20 CHED COC(=O)[C@H](Cc1ccc(C)cc1)SCCCCC#N 279989455 QUUYOIZEUTXYFF-HNNXBMFYSA-N 291.416 3.506 30 20 CHED Cc1cc(C)c(CN[C@@H](C)c2ccc(C#N)c(F)c2)cn1 453345835 FOSQFQWQPSMMIE-ZDUSSCGKSA-N 283.350 3.560 30 20 CHED CCO[C@H](CNCc1ccc(C#N)cc1F)c1ccccc1 278500394 NPSYUMSJIFJUDU-GOSISDBHSA-N 298.361 3.565 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)C(F)(F)F 361368054 WSEJWJFYNDUNGL-SNVBAGLBSA-N 289.272 3.539 30 20 CHED C[C@@H](CCC1CC1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 456063215 JFCXKYFQPVNIOM-AWEZNQCLSA-N 298.430 3.822 30 20 CHED CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(C#N)cc1 278765407 OXTPDCJHUWTHEL-SWLSCSKDSA-N 297.406 3.602 30 20 CHED C=CCC1(CNC(=O)c2ccccc2F)CCCC1 456488642 RSOPJSOAPWBSRG-UHFFFAOYSA-N 261.340 3.692 30 20 CHED COc1cc(-c2noc(-c3ccc(C#N)s3)n2)ccc1C 546980916 ADAIZMPVBBVEBT-UHFFFAOYSA-N 297.339 3.654 30 20 CHED Cn1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 271990051 GUEHUWZSIFMYCK-UHFFFAOYSA-N 287.388 3.508 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cccc3[nH]ccc23)no1 273842222 ZHCAIGSLRMVQHE-NSHDSACASA-N 283.331 3.872 30 20 CHED N#CCc1ccccc1NC(=O)c1cccc2cccnc12 361013836 KXKYAMYJKDZMPN-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=C(CNC(=O)c1cc(C)n(CC)c1C)c1ccccc1 360212537 JTQLIKRPEHVSJT-UHFFFAOYSA-N 282.387 3.568 30 20 CHED C=C(CC)CNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 455548564 WJHSJJXWRBSBPE-INIZCTEOSA-N 284.403 3.889 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1ccc(-c2ccncc2)cc1 360309926 JRTWMZJYMALGSL-CQSZACIVSA-N 293.370 3.620 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N[C@H]3CCO[C@@H](C)C3)c2c1 271350160 HETLDDSSMFFHSL-ZFWWWQNUSA-N 295.386 3.703 30 20 CHED CC(C)(C)[C@@H](NCc1cccc(C#N)c1F)C(F)(F)F 546629193 HXWYSSAXHIAUDC-GFCCVEGCSA-N 288.288 3.764 30 20 CHED Cc1cccc(NC(=O)CC(C)(C)C#N)c1Cl 278949971 HCYJOFNTAALPEW-UHFFFAOYSA-N 250.729 3.527 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2cc(C)ccc2nc1C 466530857 PMJGPBJUNNQWFM-OAHLLOKOSA-N 282.387 3.936 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CCCc1ccc2ccccc2c1 271796975 KCCSWYOJZIDVER-GOSISDBHSA-N 294.398 3.827 30 20 CHED C=C[C@H](C)NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 465116041 CVSYNWFPIFUCQH-JTQLQIEISA-N 285.309 3.674 30 20 CHED C#CCCCCc1nc(CCn2ccc3ccccc32)no1 274245698 VHMKXILHMSRUAQ-UHFFFAOYSA-N 293.370 3.613 30 20 CHED C=CC[C@H](CC)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] 467416807 HQPPXQBLTSMCBD-ZFWWWQNUSA-N 276.380 3.860 30 20 CHED Cc1cc(CCN[C@H]2CCC[C@H](C#N)C2)ccc1Cl 462802935 IZIWBXFJTBCYCW-GJZGRUSLSA-N 276.811 3.863 30 20 CHED C=CCCC[C@@H](C)N[C@H](C(=O)OC)c1ccccc1C 467002728 BWUHVXOVLSZJJF-ZBFHGGJFSA-N 275.392 3.544 30 20 CHED Cc1nc(N(C)C2Cc3ccccc3C2)c(Cl)cc1C#N 461785575 OPGFSUGLKWUYPR-UHFFFAOYSA-N 297.789 3.519 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1Cl 281487608 VWPRQKREHFODIZ-JTQLQIEISA-N 252.745 3.816 30 20 CHED C=C(C)CCNC(=O)N[C@@H](CCc1ccccc1)C(F)F 624152782 JYAJGIPEIKGOSD-AWEZNQCLSA-N 296.361 3.518 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H]([C@H]2CCOC2)C1 378222790 IDTSGBYLPGMYTA-CVEARBPZSA-N 281.440 3.622 30 20 CHED C=CC[C@H](C)N[C@@H]1CCc2cccc(Br)c2C1 555552731 SITWVRSEPXUWFL-WCQYABFASA-N 294.236 3.861 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(N(C)C)cc2)no1 554784592 OSHIYTMBERUIST-MRXNPFEDSA-N 271.364 3.656 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(-c2csc(C)n2)cc1 282322383 NRBKLASKLJPEHI-AWEZNQCLSA-N 299.399 3.541 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 466135718 XMWGDEPBIQRYFZ-RBSFLKMASA-N 264.413 3.563 30 20 CHED Cc1nsc(N2C[C@@H](c3ccccc3)C[C@@H]2C)c1C#N 553103163 CDERQIPXKSOXQQ-FZMZJTMJSA-N 283.400 3.706 30 20 CHED C[C@H]1CCN(CC#Cc2ccc(F)cc2)CC12CCC2 552437515 HXYRZJRFUBKKGD-HNNXBMFYSA-N 271.379 3.689 30 20 CHED C#CCCCCN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 282968574 CZRBQHVJUNUNIJ-ZWKOTPCHSA-N 299.414 3.561 30 20 CHED N#Cc1ccnc(N2CC[C@@H](CSc3ccccc3)C2)c1 288228836 FDXHBRGSMCYXGK-OAHLLOKOSA-N 295.411 3.572 30 20 CHED C[C@H](CC(=O)[C@H](C#N)c1cccc(F)n1)CC(C)(C)C 1344593771 BQUOMHTXGURASI-VXGBXAGGSA-N 276.355 3.859 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(-c2ccccc2OCC#N)n1 289171667 OTPLVGNXFSBZSZ-CHWSQXEVSA-N 297.358 3.933 30 20 CHED C=C[C@H](C)NC(=O)c1sc(-c2ccccc2C)nc1C 476649677 VJBAMUKWJCGDGS-NSHDSACASA-N 286.400 3.731 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)N[C@H]1CC[C@@H](C#N)C1 471586418 CKPSQPFWFNLJNW-PVAVHDDUSA-N 274.383 3.675 30 20 CHED C=CC[C@@H]1N(C(=O)CCC2CCOCC2)CCCC1(C)C 470296897 GRWYZQBBUHHBOV-INIZCTEOSA-N 293.451 3.787 30 20 CHED C=CCCCCCCCCNC(=O)[C@@H]1CCSC1 805278297 XAADLTHXMSRWTL-CQSZACIVSA-N 269.454 3.772 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1cccc(CC#N)c1 298638231 YWUGKRYONPDNKY-UHFFFAOYSA-N 292.382 3.723 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(-n2cncn2)cc1 293643069 HHBKOQAGDYCBSO-CQSZACIVSA-N 284.407 3.520 30 20 CHED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCCC#N 292297176 YPGSSTDVGBFLLL-STQMWFEESA-N 292.810 3.984 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(C)cc(C)n1 800869135 ZXHAQXYYBPPXMK-UHFFFAOYSA-N 294.398 3.569 30 20 CHED C=CCCCCCCCCNC(=O)c1ccc(C#N)[nH]1 807842995 DVPFNOYBBHXLQW-UHFFFAOYSA-N 273.380 3.533 30 20 CHED C=C(C)[C@H](N=c1cc(C)[nH]c(C#N)c1)c1ccc(F)c(F)c1 561276024 ZOQWRFUANZHRGU-KRWDZBQOSA-N 299.324 3.691 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccsc2C)C1 640464233 DQTAOCVHQAAFFU-GFCCVEGCSA-N 264.394 3.877 30 20 CHED CC(C)(O)c1ccc(C=NNc2cc(F)cc(F)c2)cc1 807965452 XGAONHOCRXKRTM-UHFFFAOYSA-N 290.313 3.638 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(F)cc1SC 646550323 ZTTWUTUSINUYNW-UHFFFAOYSA-N 268.357 3.587 30 20 CHED C=CCCCCN(C)[C@H](C)c1ccc(-n2cncn2)cc1 565462226 AQKZGMDGSMWEAJ-OAHLLOKOSA-N 284.407 3.616 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1csc(CCC(C)C)n1 803783900 HGJWTNKYYUZHSE-OAHLLOKOSA-N 294.420 3.715 30 20 CHED CC(C)(C)C[C@H](NC(=O)NCC1(C#N)CC1)c1ccccc1 563700217 KVBAMABFYHIPOE-HNNXBMFYSA-N 299.418 3.767 30 20 CHED C[C@@H]1CCC[C@@H](COC(=O)CCCCCC#N)C1 805697811 HQDQMNHCDRYMJO-ZIAGYGMSSA-N 251.370 3.830 30 20 CHED C=CCCCCNC(=O)[C@H](C)CCc1cccc(F)c1 471708763 GYNNPPDQDFOCTD-CQSZACIVSA-N 277.383 3.867 30 20 CHED C=CCCCc1nc([C@@H]2CSc3ccccc32)no1 296596045 XFSQJGKIJSMWDJ-GFCCVEGCSA-N 272.373 3.816 30 20 CHED CC(C)(C)[C@H]1CCC1=NNc1cccc(C(=O)O)c1 807944120 SBCSRCSLOUQTNS-LBPRGKRZSA-N 260.337 3.609 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CCS[C@H]1C)c1ccccc1 648679921 VBEHLXKTCFEANJ-BPUTZDHNSA-N 289.444 3.747 30 20 CHED Cc1ccccc1-n1cc(/C=C\C(=O)c2cccs2)nn1 806568979 GMQYTUVRGBUIMP-HJWRWDBZSA-N 295.367 3.533 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccccc2CC)cc1 814401034 HCSVPOSXKGNHBO-UHFFFAOYSA-N 277.367 3.802 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(Cl)c2O)n1 815704749 OOYVTVZPUMJOBK-UHFFFAOYSA-N 278.739 3.949 30 20 CHED C[C@H]1CCC(=NNc2ccc(OC(F)F)cc2)C1 814828646 MSVGBDKQONITBO-VIFPVBQESA-N 254.280 3.876 30 20 CHED C=CCCCCN[C@H](CCOC)c1ccc(C)o1 566837538 MYKYJVRWZRCURO-CQSZACIVSA-N 251.370 3.612 30 20 CHED C[C@H]1CCCCN(Cc2ccc(C#N)cc2OC(F)F)C1 481562229 ATDNJMDAADVOID-LBPRGKRZSA-N 294.345 3.782 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(C(C)=O)o1 811590947 SKKSPCMLCFTVGL-UHFFFAOYSA-N 277.364 3.739 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc3cc[nH]c3c2)no1 810282398 VOTZVBNCBYACAN-UHFFFAOYSA-N 299.333 3.790 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@H](c2cccc(F)c2)C1 480783596 CMNBCDKUGZNMTQ-XJKSGUPXSA-N 281.334 3.841 30 20 CHED CCC(C=NNc1nc(-c2ccncc2)no1)(CC)CC 814827613 RIKUANAIYPWGRH-UHFFFAOYSA-N 287.367 3.746 30 20 CHED Cc1cc(Cl)cc(C=NNc2ncccc2F)c1 814927115 XMOSOYPKPBDRGQ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC[C@@H](C)Oc1cc(C=NOC/C=C/Cl)ccc1OC 811668939 LCMNKCNRGGQUDC-KJLGTNPMSA-N 297.782 3.976 30 20 CHED C=CCCCCCCCNC(=O)Cc1c[nH]c2ncccc12 810767167 SOPFIYKLLZRLFH-UHFFFAOYSA-N 299.418 3.748 30 20 CHED C[C@@H]1C(=NNc2cccc(Cl)c2)CC[C@@H]1CC(=O)O 814693335 KERPKCPEDVNUIS-VHSXEESVSA-N 280.755 3.629 30 20 CHED C=CCCCCCCCNC(=O)Cc1c(C)noc1Cl 811589683 CCOJTHOVFFEXSN-UHFFFAOYSA-N 298.814 3.822 30 20 CHED CC(C)(C)c1cnc(C=NNc2ccc3[nH]ncc3c2)s1 814900545 YATUPENCVIULRN-UHFFFAOYSA-N 299.403 3.763 30 20 CHED C=C(C)CN(CC)c1nnc(C2CCCC2)n1C1CC1 571889173 FBMPQVORLRKZQD-UHFFFAOYSA-N 274.412 3.673 30 20 CHED C#Cc1cncc(C(=O)N(CCCC)[C@H](C)CCCC)c1 818924456 OSTVZGOAYVUPTR-OAHLLOKOSA-N 286.419 3.884 30 20 CHED Oc1c(C=NOCCC(F)(F)F)ccc2ccccc12 814908602 AELSYZCEHVORFP-UHFFFAOYSA-N 283.249 3.848 30 20 CHED C=CCC1(NC(=O)[C@H]2COc3ccccc32)CCCCC1 654021109 ZALSKMGFEGKMKS-HNNXBMFYSA-N 285.387 3.558 30 20 CHED Cc1nnsc1C=NN[C@@H](C)c1ccc(C(C)C)cc1 814219118 VIYOZDXZGBBNFU-NSHDSACASA-N 288.420 3.655 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(c1cccnc1C#N)CC2 576394068 BHBVRJLAJLROCV-UHFFFAOYSA-N 291.398 3.813 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(Cl)nc2)c1 727070470 FTUYMDMYVSRNNR-UHFFFAOYSA-N 287.775 3.525 30 20 CHED CC(CSC(C)(C)C)=NNc1ccc(C(=O)O)cc1 729632250 PSURPJOGGVYVFW-UHFFFAOYSA-N 280.393 3.704 30 20 CHED CC(C)C[C@@H](C)OC(=O)N(C)Cc1ccc(C#N)cc1 829916174 VQYRBWZNCHUFDR-CYBMUJFWSA-N 274.364 3.561 30 20 CHED C=CCCC(=O)N(C)c1nc2c(Cl)cccc2s1 572938569 NEMOUGPQZCSMBQ-UHFFFAOYSA-N 280.780 3.879 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)C2CCCCC2)nc1 728810553 JREJBJKHHGVRLW-UHFFFAOYSA-N 284.403 3.638 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(-n2cccn2)cc1 665440195 YWRNOLRYMAOXIF-UHFFFAOYSA-N 298.390 3.739 30 20 CHED Cc1ccc2c(c1)OCCN2C(=O)CC1(C#N)CCCCC1 828686466 LUBRGMGGDHLXMD-UHFFFAOYSA-N 298.386 3.585 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)OCc1ccc(F)cc1C#N 728624843 LSOCKMKOMMFQNP-CHWSQXEVSA-N 289.350 3.957 30 20 CHED N#Cc1cc(Nc2ccc3nc(C4CC4)sc3c2)ncn1 584817977 OBRDFPXQLNQRCH-UHFFFAOYSA-N 293.355 3.579 30 20 CHED C=CCCCCCN[C@@H](CO)c1cccc(Cl)c1F 499936511 ACBJZIGDIISARB-AWEZNQCLSA-N 285.790 3.849 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N(O)Cc2ccc(F)cc2)C1(C)C 900096221 WGNRDZIAGSNZMM-CABCVRRESA-N 291.366 3.782 30 20 CHED CC(C)(C#N)CN[C@@H]1CCCOc2c(Cl)cccc21 903100304 NAQWNSJITJFJCW-CYBMUJFWSA-N 278.783 3.693 30 20 CHED OCc1ccc(C=NNc2ccc(Cl)c(Cl)c2)o1 739400597 FLNVHFUOLGRUGH-UHFFFAOYSA-N 285.130 3.525 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(SC(F)(F)F)cc1 735066005 LXMRDPBSXBFRPL-VIFPVBQESA-N 289.322 3.993 30 20 CHED C=CCC1(NCCCC2CCOCC2)CCCC1 661851552 WSGDEAGYPMQTPX-UHFFFAOYSA-N 251.414 3.672 30 20 CHED Cc1cc(SCCCn2ccnc2C)ccc1C#N 581943517 KPLJVRSFNSSZAZ-UHFFFAOYSA-N 271.389 3.554 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 820460484 MWVWBVCPRIIHGR-NOLJZWGESA-N 275.367 3.790 30 20 CHED C=CCCCC(=O)N(c1nc2ccccc2o1)C1CC1 905872686 WTFYIJLSHIEMQT-UHFFFAOYSA-N 270.332 3.680 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 581504774 IATWENWOVBMLTA-SOLBZPMBSA-N 284.403 3.769 30 20 CHED C[C@H]1CC(=NNc2ccc(C(C)(C)C)cc2)c2nccn21 834974226 WGBOTSCNJDZOFJ-LBPRGKRZSA-N 282.391 3.962 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cnccn1 734746822 WVMVWSYDIWZRMZ-CYBMUJFWSA-N 282.391 3.675 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cncs1 734748564 RFQSBWDHZUFLDH-UHFFFAOYSA-N 296.739 3.541 30 20 CHED Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H](C)C#N 736671824 IBLBLXVPRSQHSC-NSHDSACASA-N 276.405 3.984 30 20 CHED C=C(C)CCOC(=O)Cc1scnc1-c1ccccc1 835189790 OZLBDBLRMFSZKJ-UHFFFAOYSA-N 287.384 3.862 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cccc(C)c2C)cc1 734305125 JCBWDNDNRAPPNF-FMIVXFBMSA-N 294.350 3.986 30 20 CHED CC[C@H]1CCCC(=NNc2nncc3ccccc23)C1 734977151 GABSGWJYOCFRGE-LBPRGKRZSA-N 268.364 3.998 30 20 CHED C#CCCOc1ccc(CN[C@@H]2CCCC[C@@H]2C)cc1 733321745 ITNGFDALCFNGLQ-MAUKXSAKSA-N 271.404 3.757 30 20 CHED CC(C)c1ccc(C=NN[C@H](C)C(F)(F)F)cc1 834995760 BIPSUFGSXNBZOV-SNVBAGLBSA-N 258.287 3.684 30 20 CHED Cc1ccc(F)c(NC(=S)N(CCC#N)CC(C)C)c1 743559431 ODGKEZGEVYWIKB-UHFFFAOYSA-N 293.411 3.703 30 20 CHED CSCCCON=Cc1ccc(Br)cc1 742351465 XSOUAYHGBGCGBY-UHFFFAOYSA-N 288.210 3.553 30 20 CHED C[C@@H](NCCCCC#N)c1cc2ccncc2s1 595009901 DWMGDRBCZPFZDN-LLVKDONJSA-N 259.378 3.641 30 20 CHED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCc2cc(F)ccc21 747440049 NWDDOBJJGBLXKD-MDWZMJQESA-N 297.285 3.946 30 20 CHED Cc1ccc(Br)cc1C(=O)OCCCCC#N 744141590 YQFBQMIWVGTTJH-UHFFFAOYSA-N 296.164 3.608 30 20 CHED CC(C)COc1ccccc1C(=O)OCC1(CC#N)CC1 744276496 JGBHOEFOKCXEOT-UHFFFAOYSA-N 287.359 3.572 30 20 CHED CC(=NNc1ncnc2sc(C)c(C)c12)C1CCC1 747628234 RWIBIQAVLNPQEI-UHFFFAOYSA-N 274.393 3.896 30 20 CHED C#CCCOc1ccc(CNCC(C2CC2)C2CC2)cc1 742386397 DBBXNOZDHZQTNR-UHFFFAOYSA-N 283.415 3.615 30 20 CHED CCc1cc(C(=O)N2CC(C#N)C2)sc1-c1ccccc1 594365021 QQLAQDXYGHKJBY-UHFFFAOYSA-N 296.395 3.573 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](CC)[C@@H]2C[C@@H]2C)c1 840731029 YDDGIFZOEQRCCX-PAYONLEZSA-N 286.419 3.892 30 20 CHED C=CCOC(=O)c1ccc(OCCCC)c(OCC)c1 916592003 FLKDQHQYODSQNN-UHFFFAOYSA-N 278.348 3.607 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2C)cc1C#N 741756318 NZSFUMMYGVOVHE-UHFFFAOYSA-N 279.343 3.630 30 20 CHED C#CCCCOC(=O)/C=C/c1ccc2cc(OC)ccc2c1 919665609 FHEUXSDDNXIQPE-YRNVUSSQSA-N 294.350 3.818 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 590757008 XYCVAVYLKGKPIM-GXTWGEPZSA-N 290.794 3.654 30 20 CHED CN(C(=O)CCC1CCCCCC1)C1(C#N)CCC1 594001451 QYWARYLGJGJXHT-UHFFFAOYSA-N 262.397 3.642 30 20 CHED CC1(C)C(=NNc2cc(F)cc(F)c2)[C@H]2CCCO[C@H]21 743437209 DJOSWQSTGOLGRV-TZMCWYRMSA-N 280.318 3.568 30 20 CHED CC(C)(C#N)C[C@H](O)CN[C@@H]1CCC[C@H](C(C)(C)C)CC1 598724101 MITGHXAQKPHPML-XHSDSOJGSA-N 294.483 3.872 30 20 CHED C[C@H]1CCC[C@@H](C(=O)OCc2ccc(F)cc2C#N)C1 745158624 NXGFPRVKOFXAGL-NWDGAFQWSA-N 275.323 3.567 30 20 CHED C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@@H]2CCCC[C@H]12 597491650 HQEAANCYQNVRBT-BZUAXINKSA-N 288.435 3.888 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(-c2ccccc2)cc1F 917660084 OLSQIWDJFZFRHW-UHFFFAOYSA-N 282.318 3.981 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccs1 593948329 JQNUNJGWXZXFRL-QWHCGFSZSA-N 298.411 3.676 30 20 CHED C=CCOC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 917264303 ODIFUHUVSFTDIP-ZDUSSCGKSA-N 283.327 3.564 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCC(C)(C)C1 594013795 BLMSYJLJSHUPDL-RHSMWYFYSA-N 298.430 3.774 30 20 CHED COc1ccc2c(c1)CCCC2=NOCCOC(C)(C)C 747813518 ZJSGKFPCKDVOJT-UHFFFAOYSA-N 291.391 3.567 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C(C)(C)C 593976293 UAYUZWOJIPQDEK-RHSMWYFYSA-N 298.430 3.774 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(C)c1ccc(C#N)nc1 593275098 YEFCLWSOGCVBKE-AWEZNQCLSA-N 285.391 3.523 30 20 CHED Cc1cccc2[nH]c(CN(CC#N)C3CCCC3)cc12 597012966 GDRPBIZCLTWBSE-UHFFFAOYSA-N 267.376 3.745 30 20 CHED C=CCN(C(=O)c1cc(C#N)ccc1Cl)C(C)(C)C 598871258 NILHLHYUQKUWRR-UHFFFAOYSA-N 276.767 3.638 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(CC#N)c2)C1(C)C 590884352 QENVUGRNEOEETR-CVEARBPZSA-N 282.387 3.930 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2cc(OC)ccc2nc1C 842479272 BJWGHBBBJMIZLB-UHFFFAOYSA-N 298.386 3.590 30 20 CHED C=C(C)COC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 748912209 SNDPSPUWWKZGSD-STQMWFEESA-N 295.176 3.672 30 20 CHED Cc1nc(CSCC2(CC#N)CC2)sc1C 596343545 OTKFAHDTAWQKQC-UHFFFAOYSA-N 252.408 3.687 30 20 CHED Cc1ccc(-c2ncc(C=NNC3CC3)s2)cc1C 848408683 WACYUZDLZAVVIF-UHFFFAOYSA-N 271.389 3.513 30 20 CHED CCN(C(=O)C[C@H](C)Cc1ccc(Cl)cc1)[C@H](C)C#N 598358859 RIRCYIBEWGZIAP-CHWSQXEVSA-N 292.810 3.669 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)s1 849243894 OVJBZUFWMDBMEE-WAYWQWQTSA-N 272.373 3.559 30 20 CHED COCc1cccc(CON=Cc2ccccc2C)c1 746558559 RPEGXOOTEBCFMG-UHFFFAOYSA-N 269.344 3.692 30 20 CHED C=C(C)COC(=O)CCOc1ccc(C(C)C)cc1 743005308 HJFNSEAVXSJAMA-UHFFFAOYSA-N 262.349 3.698 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(C2CC2)c1 594001250 MBTNAGPOKCGRMB-KRWDZBQOSA-N 270.376 3.622 30 20 CHED Cc1cccc([C@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2O)c1 741165346 LBFMDBCNNBJCKI-VBEHJTROSA-N 298.342 3.831 30 20 CHED Clc1ccc2c(c1)CC(=NNc1ccccc1)C2 743419755 ZTRIIMHLLQVRRS-UHFFFAOYSA-N 256.736 3.907 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@H]1CCCC[C@H]1C 920716945 VIVVJBSWSRPKFR-TZMCWYRMSA-N 287.359 3.689 30 20 CHED C#CCCCNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 746527805 VVSDUWKFTACWTK-JTQLQIEISA-N 284.186 3.627 30 20 CHED C=CCCOC(=O)c1cc(C2CC2)nc2ccccc12 740200737 LQYQGRLAQCTDGH-UHFFFAOYSA-N 267.328 3.845 30 20 CHED CC(Cc1ccsc1)=NNc1cc(Cl)nc(C)n1 741766301 QSFUZVIVMQVTAY-UHFFFAOYSA-N 280.784 3.530 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=CC1CCCCC1 747062522 ZQTGMBQNJUTAMM-UHFFFAOYSA-N 261.325 3.881 30 20 CHED C=C[C@H](C)NC(=O)/C=C\c1ccccc1O[C@H](C)CC 757007051 VGVMCJAXRXKWSC-BFPJXGRPSA-N 273.376 3.568 30 20 CHED CCCCCCCCNC(=O)c1cc(C(C)C)nn1C 754853947 KVFCYXHVJMOOAK-UHFFFAOYSA-N 279.428 3.634 30 20 CHED C=CCc1cc(OCC)cc(CN2[C@H]3C=CC[C@H]2CC3)c1O 752802143 BRERLRSARWTDNO-IRXDYDNUSA-N 299.414 3.812 30 20 CHED CC(=NNc1cc(C)ccc1F)c1cccc([N+](=O)[O-])c1 759666698 UUUZCDAQFAISTK-UHFFFAOYSA-N 287.294 3.878 30 20 CHED C=C[C@@H](OC(=O)CCc1scnc1C)c1ccccc1 851451485 IPKOEULZKOAVIO-CQSZACIVSA-N 287.384 3.855 30 20 CHED N#CCC1(CSCc2cccc3nsnc23)CC1 853769453 XDLKJUZFJFVDPE-UHFFFAOYSA-N 275.402 3.618 30 20 CHED CCCCCOC1CN(c2nc3ccccc3cc2C#N)C1 757972470 IWVMINZLGPTKSE-UHFFFAOYSA-N 295.386 3.502 30 20 CHED COc1ccc(OC(F)F)c(C=NN2CCCC[C@H]2C)c1 853380793 STXRSOLSVWMZCD-LLVKDONJSA-N 298.333 3.505 30 20 CHED COC(=O)Nc1ccc(N[C@H](C)CC(C)(C)C#N)cc1 925757150 DDWPJZTVPBYHPQ-LLVKDONJSA-N 275.352 3.605 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C1\CC[C@H](C)C1 753608367 KCGGMILQDRTILB-AOHITCTBSA-N 276.424 3.911 30 20 CHED CS[C@H]1CCC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 921926272 UVRWJFKDFANZNP-CVEARBPZSA-N 286.444 3.811 30 20 CHED N#Cc1ccccc1/C=C1/Cc2c(F)cc(F)cc2C1=O 755598864 KFJFINUJEDDWMI-XGICHPGQSA-N 281.261 3.659 30 20 CHED C=CCc1cc(OC)cc(CN(CC)CC(C)C)c1O 754725942 IJPICMQSLAQHBC-UHFFFAOYSA-N 277.408 3.607 30 20 CHED CC(CC1CCC1)=NNc1nncc2ccccc12 758359561 BIVMWDVOMWKKAR-UHFFFAOYSA-N 254.337 3.608 30 20 CHED COc1cc(C)c(C=NOCc2ccccc2)cc1OC 751522147 VNERPWGCCXUGFW-UHFFFAOYSA-N 285.343 3.563 30 20 CHED CCSc1ccc(CC(=O)OCCCCC#N)cc1 751917255 LIVZIUDRYPLUNZ-UHFFFAOYSA-N 277.389 3.578 30 20 CHED Oc1nc(NN=CC2CCCCCC2)nc2ccccc12 757589625 LXZZJQBEDNBZMK-UHFFFAOYSA-N 284.363 3.704 30 20 CHED CCCCCCCCCCC(=O)N1C[C@@H](C)[C@](C)(CO)C1 856246629 HEYYVUKQEMHGLN-AEFFLSMTSA-N 297.483 3.994 30 20 CHED Cc1ccc(-c2cc(C#N)cc(N3CCCC3)c2)cn1 854179785 FZGNGQNZZDXXBU-UHFFFAOYSA-N 263.344 3.529 30 20 CHED C=CCSCCNC(=O)C(C)(C)CCCCC 753295714 WHAXRRMNNICISU-UHFFFAOYSA-N 257.443 3.628 30 20 CHED N#Cc1cc(C(=O)OCC2CCCC2)ccc1Cl 754907072 WDBJBZGDEKETRE-UHFFFAOYSA-N 263.724 3.559 30 20 CHED CCCn1nccc1/C=C1\C(=O)c2cccc(C)c2[C@H]1C 853007131 PUPRROVSFQXFBN-RERGGYADSA-N 280.371 3.985 30 20 CHED C[C@H]1CCCCN1N=Cc1coc(-c2ccccc2)n1 853378662 APTVWQVZPCRELY-ZDUSSCGKSA-N 269.348 3.550 30 20 CHED COc1ccc(CNc2cc(C(C)=O)ccc2C#N)c(C)c1 754096694 CXMRJWKSWBNBHC-UHFFFAOYSA-N 294.354 3.690 30 20 CHED CCO[C@@H]1CCCC[C@H]1NCCCCC1(C#N)CCC1 930664207 DBLKXOSYLNOJCF-HZPDHXFCSA-N 278.440 3.788 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc[nH]1 760353158 HIEZDGGILCVDQG-LBPRGKRZSA-N 289.404 3.535 30 20 CHED CC(=NNCC(F)(F)F)c1ccc(OC(C)(C)C)cc1 769813441 FVHRUOQWIUFBBN-UHFFFAOYSA-N 288.313 3.740 30 20 CHED CCCCCCCNC(=O)CC1(CSC)CC1 862354775 GPYSNPBBUCKLME-UHFFFAOYSA-N 257.443 3.606 30 20 CHED C#CCCCCNC(=O)N1CCCC[C@@H]1CCC(C)C 761769794 DTJHTOFZPZOING-MRXNPFEDSA-N 278.440 3.790 30 20 CHED CSc1ccccc1CC(=O)Oc1ccc(C#N)c(C)c1 765117998 MDZJBFFCJWIZCH-UHFFFAOYSA-N 297.379 3.737 30 20 CHED Fc1cc(C=NOCc2ccccc2)c2ncccc2c1 760240117 SGUKDPIGDXLZEI-UHFFFAOYSA-N 280.302 3.925 30 20 CHED COc1cc(OC(=O)/C=C/C2CCCCC2)ccc1C#N 767152280 ZBRSHHCYUDFUGE-JXMROGBWSA-N 285.343 3.609 30 20 CHED CC[C@H](CC(=O)Oc1ccc(C#N)c(OC)c1)C(C)C 767158479 SHPFQOGRRMOWCO-GFCCVEGCSA-N 275.348 3.545 30 20 CHED Cc1ccc(C=Nn2cnc3ccccc32)cc1Cl 766435172 ZNSMIXXHZQSOIA-UHFFFAOYSA-N 269.735 3.880 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(F)cc1 766772545 UCDLCXUQFSHCDL-VMPITWQZSA-N 255.292 3.679 30 20 CHED C#CCCCNc1ccc(F)cc1OC1CCCC1 766725106 MSUPVYVWYNUDEQ-UHFFFAOYSA-N 261.340 3.972 30 20 CHED CC(=NNC1CCCC1)c1csc(C(C)C)n1 768766762 DCOVKWJZTKHRGF-UHFFFAOYSA-N 251.399 3.523 30 20 CHED COc1ccsc1/C=C1/CCc2cc(C#N)ccc2C1=O 764443199 VBKRPNXQWVJHTI-LCYFTJDESA-N 295.363 3.841 30 20 CHED CCCCCCCC(=O)N[C@@H](C)C[C@H](O)c1ccco1 760190803 RAAPROYCJXWKNF-KBPBESRZSA-N 281.396 3.568 30 20 CHED Cc1cccc2cc(C(=O)OCC3(C#N)CCC3)oc12 768095111 MBKOAILEFXQZRI-UHFFFAOYSA-N 269.300 3.592 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@H]1CCC[C@@H]1C 769472980 HJSCDQNQZBPRKX-QWHCGFSZSA-N 289.350 3.603 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-n2cccn2)cc1C 879713632 QVTTWTSHIHPAFI-UHFFFAOYSA-N 283.375 3.722 30 20 CHED CCOc1ccc(CNc2cccc(C#N)c2C)c(O)c1 779599606 WADKOZGPVZWBTF-UHFFFAOYSA-N 282.343 3.583 30 20 CHED N#Cc1ccc(/C=C2\CCc3ccc(F)cc3C2=O)cc1 776191234 CHQGLXYHOONAHW-OQLLNIDSSA-N 277.298 3.910 30 20 CHED CCCCCCCC(=O)NCc1cc(Cl)ccn1 770436456 LZCICMAEGMZDLN-UHFFFAOYSA-N 268.788 3.712 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)s1 770574927 NXIPJCMDFVFWJQ-DJWKRKHSSA-N 282.299 3.527 30 20 CHED CC/C=C/CCOC(=O)c1ccc(C#N)c(Cl)c1 778535578 OVDQIPJOKKGTQV-ONEGZZNKSA-N 263.724 3.725 30 20 CHED C=CC(C)(C)CC(=O)NCCc1ccc(Cl)s1 878264033 ADCHSNBCQDXKFY-UHFFFAOYSA-N 271.813 3.663 30 20 CHED Cc1ccc(OCc2ccc(F)cc2C#N)c(Cl)n1 777548075 LUZZYHKEHJDYFX-UHFFFAOYSA-N 276.698 3.633 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C(C)=C(/C)CC 779975829 FHEJCEGXCNSHAP-SEYXRHQNSA-N 250.386 3.712 30 20 CHED COc1ccc(C#N)cc1COC(=O)C1CCCCCC1 772268621 JSDXWABOGYOMDX-UHFFFAOYSA-N 287.359 3.580 30 20 CHED C[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1cncc(F)c1 772960571 TWCQSPUOTATQCN-OLZOCXBDSA-N 299.349 3.535 30 20 CHED C=C1CCC(C(=O)N2Cc3ccccc3[C@@H](C)C2)CC1 887719198 GUUMBYUZIPXIBJ-AWEZNQCLSA-N 269.388 3.879 30 20 CHED Cc1ccc(NC[C@H](c2cccnc2)C(C)C)c(C#N)n1 882066705 FVUZEFPZECSWQI-HNNXBMFYSA-N 280.375 3.508 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1cccc(CC)c1 787803049 HJTOREGJRBVMDG-QGZVFWFLSA-N 276.376 3.521 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)[C@@]1(C#N)CC12CCCC2 887957746 MHBTUHYCMGWJMA-IBGZPJMESA-N 296.414 3.736 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)c(N2CCCC2)c1 881004969 DRHDLYVDIHYPCV-CQSZACIVSA-N 287.407 3.681 30 20 CHED C#CCCCCCC(=O)Nc1cccc2cnccc12 780333107 KPJYXZMMJVGLPT-UHFFFAOYSA-N 266.344 3.757 30 20 CHED C=CCN(C(=O)Nc1cn(-c2ccccc2)nc1C)C(C)C 781468525 HRSBFPYUOHHLHL-UHFFFAOYSA-N 298.390 3.609 30 20 CHED C=C(C)CCC(=O)Nc1cnn(C2CCCC2)c1C 1120635630 CQDCTYHYIGGTIC-UHFFFAOYSA-N 261.369 3.601 30 20 CHED C[C@@H]1CCC(=NNc2nncc3ccccc23)[C@H](C)C1 783793499 UWFCFCYDKJEALW-VXGBXAGGSA-N 268.364 3.854 30 20 CHED CC(=NNC1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] 786043579 OBALFTSOEHWTSD-UHFFFAOYSA-N 295.770 3.895 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(C#N)cc1Cl 784243689 MZXNXUXCAJCAOT-GHMZBOCLSA-N 279.767 3.937 30 20 CHED C=C(C)[C@@H](CC(=O)N1Cc2ccccc2[C@H]1CC)OCC 890613196 XCMNFJATTSMEND-IAGOWNOFSA-N 287.403 3.851 30 20 CHED COc1ccc(NN=C(C)c2ccccc2Cl)nc1 780267303 JUGPUGYHPFTQIM-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C#CCCCOC(=O)C(C)(C)c1ccc(Cl)cc1F 789214374 GVKZBGDSIPBOTG-UHFFFAOYSA-N 282.742 3.713 30 20 CHED C#CCC1(C(=O)NCc2sccc2C)CCCCC1 788170982 CQLARRKVECOGJW-UHFFFAOYSA-N 275.417 3.647 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)Oc2cc(F)ccc21 782353652 DYTZYQSBBILLJB-WUXMJOGZSA-N 287.315 3.776 30 20 CHED CCCc1cccc(/C=C\C(=O)c2cc(C)nn2C)c1 789157400 ZWAFNEWMZCKABN-KTKRTIGZSA-N 268.360 3.577 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1O 787028191 CAYAGENUPOTRDF-YVEFUNNKSA-N 278.355 3.602 30 20 CHED N#CC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 95835405 BORHVKAGIJEDOP-UHFFFAOYSA-N 293.366 3.837 30 20 CHED CCN(CCCCC#N)[C@@H](C)c1ccc(C#N)cc1 102397490 YNWJSGKSDAYVQW-AWEZNQCLSA-N 255.365 3.635 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1C#N 799495351 NBFQSBNEBKMUNO-YCRREMRBSA-N 281.286 3.602 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(O)c(F)c1 1204804153 WYWPZMJXDDIJJC-UHFFFAOYSA-N 298.361 3.815 30 20 CHED C[C@@H](OC(=O)CCc1cnc2ccccc2c1)C(C)(C)C#N 796782527 FKXJHIKAZLOUTG-CYBMUJFWSA-N 296.370 3.649 30 20 CHED CSCC1CCN(c2nc3ccccc3cc2C#N)CC1 896212773 WUAIZSBPZDVPLG-UHFFFAOYSA-N 297.427 3.686 30 20 CHED C=CCCCCC[C@@H](C)NCc1cccnc1-n1cccn1 793523072 HULJPQHPJLVSFG-MRXNPFEDSA-N 298.434 3.882 30 20 CHED CCCNc1ccc(C#N)cc1NCc1ncc(CC)o1 795266769 DAMPVZIRJSOMRP-UHFFFAOYSA-N 284.363 3.543 30 20 CHED CC1(C)CCc2ccccc2C(=NOC2CCOCC2)C1 797785997 BXAJORFPGQDHBJ-UHFFFAOYSA-N 287.403 3.949 30 20 CHED CSCCON=C1C[C@@H](c2ccccc2)C1(C)C 794577557 WPSAWZHNTUJEOH-ZDUSSCGKSA-N 263.406 3.936 30 20 CHED CCN(C)c1ccc(/C=C\C(=O)c2ccc(F)cc2C)cn1 790219108 GRNFHHHKLXSLMC-UITAMQMPSA-N 298.361 3.881 30 20 CHED Cc1cccnc1NN=Cc1cccc(-c2cccnc2)c1 790191139 SATODGYPWKSQOG-UHFFFAOYSA-N 288.354 3.898 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)CCCC)c1ccccc1 799976851 XEZUPJZGDAJUAJ-GOEBONIOSA-N 257.377 3.694 30 20 CHED N#Cc1ccsc1NC(=O)[C@H](F)CC1CCCCC1 796523338 LYLUQASWZCGKHQ-GFCCVEGCSA-N 280.368 3.867 30 20 CHED CCOc1cc(F)ccc1NC(=O)c1ccc(C)c(C#N)c1 799314664 PBEIAHXPCQHVLQ-UHFFFAOYSA-N 298.317 3.657 30 20 CHED COc1ccc(CCC=NNc2ncccc2F)c(C)c1 794980903 RQHFSMWNWFHXDN-UHFFFAOYSA-N 287.338 3.568 30 20 CHED COCC[C@H]1CCCC1=NNc1nccc2sccc12 799876678 XJHGVVKLXRQSQD-LLVKDONJSA-N 289.404 3.901 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCCC(F)(F)F 799743064 UHMCRPFTRBRHRV-FRKPEAEDSA-N 265.662 3.807 30 20 CHED CC(=NNc1ncncc1F)c1cc2ccccc2s1 793211600 XJMLQSRDENNLLV-UHFFFAOYSA-N 286.335 3.667 30 20 CHED Cc1ncc(COc2ccc(C(F)(F)F)c(C#N)c2)s1 798230982 GACKQMXIMYKKNS-UHFFFAOYSA-N 298.289 3.921 30 20 CHED C#CCN(Cc1ccncc1Cl)C1CCCCC1 746662508 BUMGMRYEWUJGBK-UHFFFAOYSA-N 262.784 3.503 30 20 CHED CC(C)n1nccc1C=NNc1c(F)cccc1Cl 794534961 PQAWJSNPEIGTCU-UHFFFAOYSA-N 280.734 3.703 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H](C)c1cccc(Cl)c1)C(C)C 798556428 JQFWCNFPNNKTBE-DOMZBBRYSA-N 292.810 3.700 30 20 CHED COc1cc2c(cc1/C=C/C(=O)c1ccc(C)o1)O[C@H](C)C2 797200377 QDXJTGBPIFEFST-BTDICHCPSA-N 298.338 3.816 30 20 CHED N#Cc1cc(Cl)ccc1N1CC[C@H](c2ccccn2)C1 798417140 RYNJWBLARNKSRB-LBPRGKRZSA-N 283.762 3.601 30 20 CHED CC1(CNc2snc(Cl)c2C#N)CCCC1 66468093 OWZDJJFMNUXMJB-UHFFFAOYSA-N 255.774 3.660 30 20 CHED Clc1cccc(C=NOC[C@H]2CCCO2)c1Cl 795199977 QFCNDILIUOLJJQ-SNVBAGLBSA-N 274.147 3.523 30 20 CHED CC(=NNCc1ccc(C(F)(F)F)cc1)c1cnoc1C 799477079 GPUOMGXBSITGNE-UHFFFAOYSA-N 297.280 3.516 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(C)c(OC)c(Cl)c1 796794139 YXVXSOANIDGQRI-GHMZBOCLSA-N 253.773 3.882 30 20 CHED N#CCOc1ccc(NCc2c(O)cccc2Cl)cc1 83607976 SHIDWOCEFIBKDR-UHFFFAOYSA-N 288.734 3.560 30 20 CHED C#CCCCCC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 773310954 YGBIMLRONGDIMK-QWHCGFSZSA-N 289.341 3.665 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1ccc(Cl)c(C#N)n1 1157883262 XUIKRNSOVZNTEC-ZJUUUORDSA-N 251.761 3.843 30 20 CHED Cc1c(C#N)cccc1NCc1ccc2c(c1)CCC2 1308421712 XDISYVJMRIWONT-UHFFFAOYSA-N 262.356 3.968 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)Nc2sccc2C#N)CC1 1310957300 XTXVJGIESVCPJL-CMPLNLGQSA-N 277.393 3.710 30 20 CHED COc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1Br 1321355679 TVMFHJADQNJJNY-ZJUUUORDSA-N 295.180 3.562 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](OC)C(C)(C)C1 1325305804 WNXXQWYUWZHCRE-CQSZACIVSA-N 269.429 3.620 30 20 CHED C[C@@H]1CC[C@@H](C)[C@H](NCc2cccc(OCC#N)c2)C1 1325117300 JRYOTIONACTLQS-CKEIUWERSA-N 272.392 3.503 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1323443757 GOALPOUUSVBGEY-IAGOWNOFSA-N 293.451 3.788 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 1254642684 GAGDCAISCFQXEY-MDZLAQPJSA-N 298.308 3.928 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(C#N)cc1 1331130420 FWIXDEYXVYDGJP-HNNXBMFYSA-N 298.430 3.823 30 20 CHED CCC[C@H]1CCCC[C@H]1CNc1cc(C#N)nc(CC)n1 1186704508 ARTNTZFKHFXDKY-KBPBESRZSA-N 286.423 3.929 30 20 CHED Cc1ccc(CN(C(=O)c2cc(C#N)ccc2C)C2CC2)o1 1335859311 HJDYYOLQFWABFC-UHFFFAOYSA-N 294.354 3.573 30 20 CHED CN(c1cncc(C#N)n1)C1c2ccccc2-c2ccccc21 1185611993 RQLXKXSOXBSTRW-UHFFFAOYSA-N 298.349 3.554 30 20 CHED N#Cc1cc(-c2nc(-c3ccc(F)cc3F)no2)cs1 1332501682 SNFVKXZIEGVDJJ-UHFFFAOYSA-N 289.266 3.615 30 20 CHED C=C(C)CCC(=O)Nc1c(OC)cccc1SC 1337268113 MOZPQBRSBISVII-UHFFFAOYSA-N 265.378 3.712 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1cc(F)cc(F)c1 1333483659 MNXKYLOJPWTAMS-UHFFFAOYSA-N 267.319 3.526 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C(F)F)n2CC(C)C)C1 1263415646 IMZOPAUBSSMROI-GFCCVEGCSA-N 298.381 3.664 30 20 CHED C=C(CC)C(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 1263711145 SAWKIMWIEHVTNM-INIZCTEOSA-N 297.402 3.593 30 20 CHED N#CCC1(CN2CCC(Cc3cccc(F)c3)CC2)CC1 1190364988 HLIZBTQBGQOUES-UHFFFAOYSA-N 286.394 3.774 30 20 CHED CC(C)(C)Oc1ccc(CCNc2ccc(C#N)cn2)cc1 1348978238 KEBMDAPHDLEYFW-UHFFFAOYSA-N 295.386 3.785 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc([C@H](C)SC)n1CC 1342768349 UXIPPRNGJUWXSX-QWHCGFSZSA-N 294.468 3.657 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(Cl)c2)cs1 1354100778 NVSLEHWFESPSSW-UHFFFAOYSA-N 262.721 3.525 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(-c3ccco3)s2)n1 1437076151 ZVTKAVJAPSFXIF-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCC[C@@]1(C)CCCN(Cc2cc(C#N)ccc2OC)C1 1459574376 ODVDRXMPPQZBCX-SFHVURJKSA-N 286.419 3.969 30 20 CHED N#CC[C@@H](C(=O)Nc1cc(F)cc(F)c1)c1ccccc1 1525193537 UPCFGYMJHWEHHO-OAHLLOKOSA-N 286.281 3.601 30 20 CHED CC(C)[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 112675838 XZIKTDJZAHXSCW-DLBZAZTESA-N 256.393 3.863 30 20 CHED Cc1ccc(-c2ccc([C@H](C)C(=O)O)s2)cc1C#N 1607716560 SANSMPPIMDERTM-JTQLQIEISA-N 271.341 3.783 30 20 CHED N#Cc1ccc(NC(=O)c2ccsc2C(F)F)cc1F 1535016280 KUSBGOMPJKVOCI-UHFFFAOYSA-N 296.273 3.949 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)CCCc1ccccc1 1538757332 KOHJXPDGKYQWCO-NVXWUHKLSA-N 286.419 3.796 30 20 CHED CC(C)(CN=c1cc[nH]cc1C#N)Cc1cccc(Cl)c1 1472730492 CXMHZFYSYPJMCG-UHFFFAOYSA-N 299.805 3.709 30 20 CHED Cc1cc(NC(=O)CC(C2CCC2)C2CCC2)ncc1C#N 1611366843 IFLBDFVIJGWRJY-UHFFFAOYSA-N 297.402 3.807 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1F)c1ccccc1 1612497226 CSVPAAMNMDDGKF-AWEZNQCLSA-N 255.296 3.656 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]([C@@H](C)N)C1 115859412 NFMWRCXYZDCHBD-CVEARBPZSA-N 282.472 3.713 30 20 CHED O=C(O)c1ccc(Cl)c(C=NNc2ccc(F)cc2)c1 1610830622 VJWNTXXCDZLHCF-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CC[C@H](CC#N)NCc1cc(F)cc(C(F)(F)F)c1 121541726 SDIQFCGDBLERGP-GFCCVEGCSA-N 274.261 3.626 30 20 CHED CCSc1cccc(CNc2ncc(C#N)cc2F)c1 1655539740 BPBJYAIEALDEML-UHFFFAOYSA-N 287.363 3.816 30 20 CHED Cc1cccc2cc(Oc3ccncc3C#N)cnc12 1655582277 IGOCCUWUNWJFRJ-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CC[C@H](CNc1ccc(C#N)c(C)n1)Oc1ccccc1C 1651575081 ULXASQYYGNCSOQ-MRXNPFEDSA-N 295.386 3.840 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1nc(C#N)c(Cl)s1 1651561865 CYHBEIMIBMPMDZ-JGVFFNPUSA-N 257.790 3.905 30 20 CHED Cc1ccccc1C[C@H]1CCCN1C[C@H](C)CCC#N 1658987250 YUDGJNOGJUFDTE-CRAIPNDOSA-N 270.420 3.942 30 20 CHED C=C(Br)CN(C)[C@@H](C)Cc1cccc(F)c1 1658943290 VQJRESDEYYBDNS-NSHDSACASA-N 286.188 3.597 30 20 CHED C=C[C@@](C)(CC)COC(=O)C12CCC(C(=O)O)(CC1)CC2 1588682805 QKFQCSKIFRFTNX-GTPINHCMSA-N 294.391 3.557 30 20 CHED Cc1cc(NC(=O)[C@@H](C)c2cccc(Cl)c2)ncc1C#N 1585003657 ZPELKYBZCRKPFB-NSHDSACASA-N 299.761 3.657 30 20 CHED C=CC[C@]1(C(=O)O)CCN(C[C@H]2CCCC(C)(C)C2)C1 1776159148 STEFMJCAVHUOMO-YOEHRIQHSA-N 279.424 3.556 30 20 CHED C=CCCCCN(CC)CC1CCC(C(=O)O)CC1 1776173747 PULVXGAPWFJMKJ-UHFFFAOYSA-N 267.413 3.556 30 20 CHED C=CCCCCN(C)[C@H](C(=O)O)c1ccccc1Cl 1776173634 IIFMWVVREHHTQU-AWEZNQCLSA-N 281.783 3.754 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)ccc2F)s1 1777433852 ZUXORQUQBZFSEG-GQCTYLIASA-N 290.315 3.790 30 20 CHED O=C(O)c1ccccc1NN=C1C[C@@H]2CCCC[C@H]2C1 1776031556 MTRXWZSVFUFZBF-RYUDHWBXSA-N 272.348 3.753 30 20 CHED CC(CC1(C(=O)O)CCC1)=NN[C@@H](C)C1CCCCC1 1776040232 CFCGCCLLZPTHOJ-ZDUSSCGKSA-N 280.412 3.566 30 20 CHED C[C@H](C=NNc1ccc(C(=O)O)nc1)CC1CCCCC1 1776070610 YEJLKHFNVQVCTB-LBPRGKRZSA-N 289.379 3.784 30 20 CHED COc1ccc(SCc2ccc(F)c(C#N)c2)cc1 158244172 ZTEKOSVEGWDNFQ-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1cc(C)ccc1OC 160153460 RKTWEHPIMUZDFP-AWEZNQCLSA-N 274.360 3.801 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)C(C)(C)c1ccccc1 156100816 OSWFMKMCWDOMQN-AWEZNQCLSA-N 284.403 3.553 30 20 CHED C=CCN(C)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 157608971 VHCWAXARAYGWRE-UHFFFAOYSA-N 285.347 3.608 30 20 CHED C=C(C)CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 156822073 AGZFHMQJJOCDAI-NSHDSACASA-N 266.772 3.619 30 20 CHED N#Cc1cccc(CNc2ccc(C(F)(F)F)cc2)n1 1308643553 WDDCGKBYWXPDKL-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CCOc1ccc(NCC(C)(C)CCC#N)cc1F 157000409 FVAAUNOBGNVAMW-UHFFFAOYSA-N 264.344 3.966 30 20 CHED N#CCOc1cccc(NCc2cc(F)cc(Cl)c2)c1 160864859 IKXGUPLHFIHLPL-UHFFFAOYSA-N 290.725 3.994 30 20 CHED C#CCCCCC(=O)N[C@H](c1ccccc1)C(C)C 271371615 LASQQKIVUGFMPJ-KRWDZBQOSA-N 257.377 3.694 30 20 CHED C=C(C)CN(C)Cc1ccc(F)cc1Br 481220863 ACRZNXSOJCFAMK-UHFFFAOYSA-N 272.161 3.596 30 20 CHED C#CCCCNC(=O)c1cc2c(s1)CCCCCC2 700580722 TVSKBTXTFUQQGL-UHFFFAOYSA-N 275.417 3.550 30 20 CHED Cc1cc(NC(C2CCC2)C2CCC2)cc(C#N)n1 308274548 JWYCICMERQFZDF-UHFFFAOYSA-N 255.365 3.642 30 20 CHED N#Cc1ccc(OCCc2ccc(Cl)cc2)cc1 308509479 KHKVSQYXPFBKPK-UHFFFAOYSA-N 257.720 3.833 30 20 CHED CC[C@H]1CO[C@H](CC)CN1Cc1ccc(C#N)cc1Cl 403895017 SMBYNBKDCHSLDK-LSDHHAIUSA-N 292.810 3.601 30 20 CHED C#C[C@H](CCC)NC(=O)c1sccc1-c1ccccc1 700610567 OXGFTSSQOPIBPE-CQSZACIVSA-N 283.396 3.947 30 20 CHED OC(=Nc1ccc2nc[nH]c2c1)C1[C@H]2CCCC[C@H]12 329042217 DSJXLZZSFRUNNI-QWRGUYRKSA-N 255.321 3.587 30 20 CHED CC[C@@H]1CCCC[C@H]1NCCc1cccc(C#N)c1 467449747 RNXAFDINYDDSEL-IAGOWNOFSA-N 256.393 3.659 30 20 CHED C[C@@H](CCc1ccco1)Nc1ncc(C#N)cc1Cl 339241338 UZUHTNWAKBNHHL-JTQLQIEISA-N 275.739 3.633 30 20 CHED C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F 389300985 LZLQPUVZQFVHDL-LURJTMIESA-N 289.194 3.885 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1nc(Cl)ccc1Cl 785855010 JIARBNCVHCSZRC-VIFPVBQESA-N 285.174 3.569 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@H](C)C1CCCCC1 101516665 JDEAMTJJDBZZGT-BBRMVZONSA-N 264.413 3.647 30 20 CHED N#Cc1ccc(Cl)cc1OCc1cccc(Cl)n1 310871494 FXGFNWDLKKSQPI-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OCC)c(Cl)c1 117001761 BUELUWQEKIYJRI-SNVBAGLBSA-N 282.771 3.825 30 20 CHED C#CCCCNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 172932080 PUMSDIFAXLFMTF-LBPRGKRZSA-N 297.320 3.729 30 20 CHED Cc1[nH]c2ccc(C(=O)O[C@H]3CC[C@H](C#N)C3)cc2c1C 179905285 RHRZDVITUVVHNT-JSGCOSHPSA-N 282.343 3.634 30 20 CHED C=C(Br)CN1CCC[C@@H]1C1CCCC1 57754978 FAGKPWLNQKSYTG-GFCCVEGCSA-N 258.203 3.550 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](CC)Cc1ccccc1 176861804 WKSHZDCLHFHKLQ-GOEBONIOSA-N 274.408 3.614 30 20 CHED CN(C)c1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1 172044961 GDGIBZUZAWXMRT-ZROIWOOFSA-N 281.330 3.714 30 20 CHED CCCCCCCCCC(=O)Nc1cc(C)n[nH]1 106103247 PUCIWFJXIFJHQM-UHFFFAOYSA-N 251.374 3.797 30 20 CHED CC1(CC(=O)NCc2ccc(C#N)cc2)CCCCC1 118986360 AILVCFYSMYTEMX-UHFFFAOYSA-N 270.376 3.535 30 20 CHED Cc1occc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 25438755 KXPNRRCTAXSEIU-UHFFFAOYSA-N 268.316 3.642 30 20 CHED Cc1cccc(CN(CCCC#N)Cc2ccccn2)c1 174675785 ZKUWEKBJXRYFIR-UHFFFAOYSA-N 279.387 3.696 30 20 CHED CSc1ccc(Cl)cc1NC(=O)NCCCCC#N 171381640 KNJAYXSVXITTOB-UHFFFAOYSA-N 297.811 3.877 30 20 CHED CCCCCCCCC(=O)NCc1ccn2ccnc2c1 178358959 VEPGRTDPEUYJBA-UHFFFAOYSA-N 287.407 3.701 30 20 CHED CC(C)(CNc1c(C#N)cccc1C#N)c1cccc(F)c1 302904861 VKRXSEQWLQDVHR-UHFFFAOYSA-N 293.345 3.959 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1ccccn1)c1ccc(Cl)s1 175099358 GSQSGTYPVRQGIU-ZJUUUORDSA-N 290.775 3.776 30 20 CHED C[C@@H](CCc1ccc2c(c1)OCO2)Nc1cccc(C#N)c1 20828379 GDCFPPDMYWPLTL-ZDUSSCGKSA-N 294.354 3.720 30 20 CHED N#Cc1ccccc1CN1CCSC[C@H]1c1ccccc1 172010677 KRBGSBOLFRVXGY-SFHVURJKSA-N 294.423 3.848 30 20 CHED C[C@H](NC(=O)Nc1ccc(CC#N)cc1)C1CCCCC1 174716772 IVYXCFMBYCDCTH-ZDUSSCGKSA-N 285.391 3.843 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)CCc1ccccc1F 173424923 XXVJRICVYHRBRN-AWEZNQCLSA-N 277.383 3.819 30 20 CHED N#Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F 307966202 RJPAHXNOFUIROG-UHFFFAOYSA-N 298.361 3.852 30 20 CHED C=CC[C@H](C)NCc1cn(CCC#N)nc1-c1ccccc1 116927735 ODWOTLBUPZWALL-HNNXBMFYSA-N 294.402 3.518 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1cc(C)nc2ccccc12 118900757 KVHOCDOHDWVVKU-CQSZACIVSA-N 299.370 3.568 30 20 CHED C=CCOc1cccc(NC(=O)/C=C/c2cccc(O)c2)c1 129647681 BXPIYKFHZDVAPY-MDZDMXLPSA-N 295.338 3.609 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]2Cc2ccccc2)nc1 301359829 LUMNOGDMVMWZOZ-IAGOWNOFSA-N 277.371 3.777 30 20 CHED C[C@@H]1CCCCN1CCCCNc1cccc(F)c1C#N 301094010 LTDXPMHHKOMSDB-CQSZACIVSA-N 289.398 3.764 30 20 CHED C=CCCCC(=O)N1CCC(OCc2ccccc2)CC1 175166368 ULDGGCOTDNCCLB-UHFFFAOYSA-N 287.403 3.551 30 20 CHED CC[C@H](C)Oc1cc(CNc2ccc(C#N)cc2)ccn1 302051395 OUTKLZBQEMEGCQ-ZDUSSCGKSA-N 281.359 3.743 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCc2cc(Cl)ccc21 69345640 XQHIQYABATZKJD-GFCCVEGCSA-N 293.794 3.600 30 20 CHED CC[C@@H](C#N)Sc1nccn1-c1cccc(C)c1 127242695 RMFQWHADWOYREV-ZDUSSCGKSA-N 257.362 3.575 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H](C)c1ccccc1 121564022 XLSZXMNJDQUAHU-AWEZNQCLSA-N 257.377 3.974 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)cc1O 189033363 CZWGTTOKGJYWKO-CYBMUJFWSA-N 253.729 3.586 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cc(F)c(F)cc1F 182650038 PJZCSZSPIJAGOL-SNVBAGLBSA-N 285.309 3.507 30 20 CHED CC[C@@H](CNc1ncccc1C#N)Oc1ccccc1C 301522365 DQRMGTUBQFBBLM-HNNXBMFYSA-N 281.359 3.531 30 20 CHED Cc1cc(C#N)ccc1Oc1ccc(Cl)c(C#N)n1 301530659 PGVZUDJWPQGSEY-UHFFFAOYSA-N 269.691 3.579 30 20 CHED CCCCc1nc(CO/N=C2/CCCOCC2)cs1 180495684 RQHOAIZJBJPSHM-VBKFSLOCSA-N 282.409 3.559 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C1CCC(c2ccccc2)CC1 79603170 OXYZEFISJKTXJQ-FAEJEUNOSA-N 298.430 3.969 30 20 CHED N#Cc1cc(NC(=O)C2(c3ccccc3)CC2)ccc1Cl 122089277 ZQHDUESQUZHZEJ-UHFFFAOYSA-N 296.757 3.882 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2ccc(Cl)cc2)s1 213226896 UPKUZCICFVKKER-UTCJRWHESA-N 292.743 3.996 30 20 CHED COc1cccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 37508464 YRAZXQKZQBSNBK-UONOGXRCSA-N 280.371 3.979 30 20 CHED Cc1cc(NCC(C)(C)CC#N)c2cccc([N+](=O)[O-])c2n1 413405845 JUKCTFSNTLBKKM-UHFFFAOYSA-N 298.346 3.803 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cnc3c(C)cccn13)C2 125372368 WGECSJCSTZKZRD-GDNBJRDFSA-N 288.350 3.774 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccccc1)C(C)(C)C 123572511 IBQGLJNQCGBVTH-CVEARBPZSA-N 261.409 3.691 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 122048155 UUPBRSRKWYKRKH-UHFFFAOYSA-N 299.349 3.815 30 20 CHED C=C(C)CN(C)C(=O)COc1ccccc1[C@H](C)CC 180419453 UDYMARWCMSZNCH-CQSZACIVSA-N 275.392 3.613 30 20 CHED Cc1cc(C#N)ccc1COc1ccc2c(c1)C(=O)CCC2 319680886 KSRFTYYFEIGNDB-UHFFFAOYSA-N 291.350 3.965 30 20 CHED Cc1cc(F)ccc1-c1ccc(CNC[C@@H](C)C#N)o1 183817158 JGHJMKHPILYCRM-NSHDSACASA-N 272.323 3.643 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cccc2ccc(OC)cc12 129992582 XGMIRKNGTQDNLN-UHFFFAOYSA-N 297.398 3.816 30 20 CHED CCn1c(-c2ccc(OC)c(F)c2)nc2cc(C#N)ccc21 122961122 YYENLYCGCKRFIV-UHFFFAOYSA-N 295.317 3.743 30 20 CHED C=CCOCCCC(=O)N[C@H](c1ccc(C)cc1)C1CC1 79399482 PKYODVVXQWBHBC-GOSISDBHSA-N 287.403 3.545 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(F)(F)C1 412843041 RQTHUMYPLUMOOE-CABCVRRESA-N 293.357 3.725 30 20 CHED C[C@]1(C(=O)N(C2CC2)C2(C#N)CCC2)C[C@@H]1c1ccccc1 415514284 ZJMJUBLVSDQRCB-AEFFLSMTSA-N 294.398 3.617 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)C1CCC1 127806363 RLBXFGRVYKMNBQ-CYBMUJFWSA-N 290.382 3.712 30 20 CHED COc1ccc2oc(/C=C/C(=O)c3ccncc3)cc2c1 182248023 BVJWZUKQFMBTQR-DUXPYHPUSA-N 279.295 3.733 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCCCCC1 419619239 XXSFHIOKYUVDPY-QGZVFWFLSA-N 297.402 3.521 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccncc1)c1ccccc1 120698186 HMVBEERSXNJZNR-HNNXBMFYSA-N 280.371 3.794 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccc(F)cc1Br 411629025 ZPEGWIFWWLTIPN-JTQLQIEISA-N 299.187 3.712 30 20 CHED COc1cc(C)cc(CN[C@@H](C)c2cccc(C#N)c2)c1 182058904 DUPITQICJCQVOG-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C=CCC[C@H](C)NCc1ccccc1OC(F)F 130534208 HQRKKXIRSNHMCN-NSHDSACASA-N 255.308 3.732 30 20 CHED C#CCN(Cc1ncc(C)s1)[C@H]1CCc2ccccc21 180445640 CZUMYQYUQJJBSK-INIZCTEOSA-N 282.412 3.574 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 410834108 JGQWZOQJQRGEHQ-HZSPNIEDSA-N 264.413 3.599 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)s1 134512639 JEIKEHCIKWZSNC-GORDUTHDSA-N 289.743 3.875 30 20 CHED Cc1ccc(CCC(=O)[C@@H](C#N)c2ccccn2)c(C)c1 41492206 DFFMYPPTTSNRQW-INIZCTEOSA-N 278.355 3.508 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(Br)c(F)cc1O 134928746 ARKIVHWKERXDOJ-JGVFFNPUSA-N 288.160 3.519 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1cc(F)ccc1F 194589784 FEWUBVSHPSDVTR-VMPITWQZSA-N 269.250 3.733 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)COCc1ccccc1 503975791 YMYBYIJWZSXEMA-UHFFFAOYSA-N 289.419 3.654 30 20 CHED CCc1onc(C)c1N=C(O)N1[C@H]2CC[C@H]1c1ccccc12 328813599 FYWQCSKAFXQKLV-KBPBESRZSA-N 297.358 3.983 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 84590891 GMWZWWJOMAYTOV-SCLBCKFNSA-N 280.371 3.752 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)C2(C#N)CCCC2)c1 48866292 LIVHVYQGAGVWOS-ZDUSSCGKSA-N 286.375 3.886 30 20 CHED O=C(NCC#Cc1ccccc1)NCCCC1CCCCC1 503288152 BHABFGUGOSWVNO-UHFFFAOYSA-N 298.430 3.698 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 131063612 UMDIFVZAUDPMAJ-RYUDHWBXSA-N 295.308 3.800 30 20 CHED Cc1cc(C)cc(NC(=O)COc2ccc(C#N)cc2C)c1 130597497 YAOBSLHUJJTRHM-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 81575071 PTZXTCCCHHFNSD-ACJLOTCBSA-N 280.346 3.890 30 20 CHED Cc1c(NCCCC(C)(C)C#N)cccc1[N+](=O)[O-] 133634516 JNERYUVHNNPSOX-UHFFFAOYSA-N 261.325 3.645 30 20 CHED Cc1nc(CC/N=C(/O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(C)o1 328829454 JHRLXFPFFQACGX-IHRRRGAJSA-N 276.380 3.617 30 20 CHED C=CCC(C)(C)C(=O)NCCOc1ccc2ccccc2c1 429911786 TXGXQBKXZCAPEW-UHFFFAOYSA-N 297.398 3.937 30 20 CHED Cc1ccc(C)c2c1CCC[C@H]2N[C@@H]1CC[C@H](C#N)C1 424335979 XGKZTIRRYBUUDD-ZMSDIMECSA-N 268.404 3.963 30 20 CHED C=C1CCN(Cc2csc(-c3ccco3)n2)CC1 264523163 IGTNIVGOKHQJOF-UHFFFAOYSA-N 260.362 3.555 30 20 CHED CC(C)Oc1cccc(COc2ccccc2C#N)c1 514442537 URUCZDGOOVDWLA-UHFFFAOYSA-N 267.328 3.924 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2ccccc2C)o1 83535610 OTGXAYXNEIPHQE-CSKARUKUSA-N 284.311 3.661 30 20 CHED C=CCSCCNC(=O)N(CC1CCCCC1)C1CC1 195730025 FPTIJEAPNYMJGP-UHFFFAOYSA-N 296.480 3.660 30 20 CHED C=CCC[C@@H](C(=O)NCc1ccc(O)cc1)c1ccccc1 427761443 OIMFHRSFGAXZPW-GOSISDBHSA-N 295.382 3.758 30 20 CHED C=CCCN1CCC[C@@H]1c1nc2ccccc2n1CC 84131774 RULNDOCFPQFORI-MRXNPFEDSA-N 269.392 3.769 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)Nc1cncc(C#N)n1 420588238 RQLKZJXHEFXHHT-CYBMUJFWSA-N 280.375 3.517 30 20 CHED CC(C)COc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 192728463 IMBMXCQKGUUJBM-NVXWUHKLSA-N 286.419 3.893 30 20 CHED N#Cc1cccc(OCCOc2ccc(C#N)c(Cl)c2)c1 190251813 UGGLAJQUEGOOLB-UHFFFAOYSA-N 298.729 3.541 30 20 CHED Cc1nnccc1N=C(O)N1CCCC[C@H]1c1ccccc1 330098291 BQFVOICSKLJFGJ-INIZCTEOSA-N 296.374 3.558 30 20 CHED N#Cc1cccc2c1CCN2C(=O)CCCc1cccs1 421649467 DCPKNJNXGLFMKI-UHFFFAOYSA-N 296.395 3.532 30 20 CHED N#Cc1ccc(CC(=O)Nc2ccc3ccccc3c2)cc1 194705171 ADKKYNISALNLSQ-UHFFFAOYSA-N 286.334 3.893 30 20 CHED CCCCC1CCC(NC(=O)c2ncc(C#N)cc2C)CC1 519114150 ALFXOEZNMNCSQP-UHFFFAOYSA-N 299.418 3.741 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ccoc1 336625019 QHDYOGNTXGPLFN-ZBEGNZNMSA-N 298.317 3.508 30 20 CHED C=C(C)CN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 513173701 LOFDXTDOFDYXRN-ZDUSSCGKSA-N 268.282 3.937 30 20 CHED C=CCCOCCN[C@H](CC)c1cc(C)ccc1OC 90883658 ZHZPOLNWMQAAGE-MRXNPFEDSA-N 277.408 3.637 30 20 CHED COCC[C@@H]1CCC[C@@H]1N[C@H](CCC#N)c1ccccc1 337464324 LJXIFCDHFDGAAK-OKZBNKHCSA-N 286.419 3.826 30 20 CHED C=C(C)CCN1CCC(c2ncccc2Cl)CC1 510799209 RQQGRPSRTXCOFG-UHFFFAOYSA-N 264.800 3.881 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)NCC(C)(C)CCC#N)C1CC1 513113557 PFEWOAXODUIHEP-KBPBESRZSA-N 293.455 3.925 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)N1CCC(CC#N)CC1 336429614 BTKGHNAFENZMPD-HNNXBMFYSA-N 299.418 3.700 30 20 CHED C=CCNc1ccc2sc(C(=O)OCC)cc2c1 513787657 CMPSSSOYZFHSQV-UHFFFAOYSA-N 261.346 3.676 30 20 CHED N#Cc1ccc(CNCCc2ccccc2Cl)c(F)c1 533311741 KWJWURMNRCYIHQ-UHFFFAOYSA-N 288.753 3.683 30 20 CHED CCC1(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 337794032 VCLIXEOCWVNNMR-UHFFFAOYSA-N 298.264 3.586 30 20 CHED N#Cc1cc(NCC2CCC(F)(F)CC2)ccc1[N+](=O)[O-] 336988002 IPMVYKWKGYGXON-UHFFFAOYSA-N 295.289 3.704 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)Cc2ccsc2)cc1 519615289 SHMPEJNCSYXDJQ-MRXNPFEDSA-N 298.411 3.576 30 20 CHED CCc1c(C(=O)/C=C\c2cnn(C)c2)oc2ccc(C)cc12 96939799 JCBITWAAWVHMDD-SREVYHEPSA-N 294.354 3.933 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc(C(C)C)nc2ccccc12 92005461 YENLYNBDSIWFNF-ZDUSSCGKSA-N 295.386 3.780 30 20 CHED N#Cc1cnccc1/C=C\c1cccc(Cl)c1F 349107005 JDPLTQLEMBRXPQ-PLNGDYQASA-N 258.683 3.916 30 20 CHED C[C@H](NC(=O)[C@H](C)c1ccccc1F)c1ccc(C#N)cc1 343280177 QOSZHDPRQSZHIX-OLZOCXBDSA-N 296.345 3.678 30 20 CHED C=CCC[C@H](NC(=O)c1ccncc1F)c1ccccc1 435277867 DTNKNBXTTABHKO-INIZCTEOSA-N 284.334 3.658 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)Oc1ccccc1F 523512214 PIAUPUUSFUJPFE-AWEZNQCLSA-N 293.382 3.798 30 20 CHED Cc1ccc(CCN2CCC(CCC#N)CC2)cc1 520575499 PXFGYOJJZBJGFF-UHFFFAOYSA-N 256.393 3.553 30 20 CHED CC[C@H](Nc1cc(C#N)ncn1)c1cc(C)ccc1C 528221737 IMYGSJQBEUZKJW-HNNXBMFYSA-N 266.348 3.528 30 20 CHED Cc1ncc(CNc2ccccc2C#Cc2ccccc2)cn1 349730028 NLJWCHQOUVDYPK-UHFFFAOYSA-N 299.377 3.797 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N(C1CC1)C1(C#N)CCC1 341605051 PIFTXMNSNRMYFE-OAHLLOKOSA-N 296.414 3.926 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cccc(N2CCCC2)c1 602807669 ZSFMXGIINQMGAG-OAHLLOKOSA-N 283.419 3.631 30 20 CHED C[C@H](Sc1ccc(C#N)cc1F)C(=O)OC(C)(C)C 525117140 HEXVUZZDLOAWJN-VIFPVBQESA-N 281.352 3.520 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H](Cc2ccc(F)cc2)C1 609914586 NTKHWRJNPZOJML-CQSZACIVSA-N 298.336 3.905 30 20 CHED C=CC[C@@H](C(=O)NCCC1(C)CC1)c1ccccc1 348697274 IIDZSRWIAPMPAY-OAHLLOKOSA-N 257.377 3.653 30 20 CHED C[C@@H](C#N)C(=O)NCC1(c2ccccc2)CCCCCC1 522995842 MTTNXVVIRYRVNB-HNNXBMFYSA-N 284.403 3.554 30 20 CHED CCc1ccc(C2CCN(C(=O)[C@@](C)(C#N)CC)CC2)cc1 600680859 DEZIKTPEXAJOPL-LJQANCHMSA-N 298.430 3.895 30 20 CHED COc1cc(/C=C\C(=O)c2occc2C)c2c(c1)C[C@H](C)O2 255866623 ADPUWZKTHXUILT-RXNFCKPNSA-N 298.338 3.816 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CCC=CCC1 602164524 AAJMAWHVNBFJAJ-CQSZACIVSA-N 282.387 3.824 30 20 CHED Cc1ccnc(NCCc2c(C)[nH]c3ccccc23)c1C#N 343514369 RIXVXOUVZBSREA-UHFFFAOYSA-N 290.370 3.706 30 20 CHED N#Cc1cccc(COc2cccc(C(F)(F)F)n2)c1F 346622759 UDWLQPVZQMQUBC-UHFFFAOYSA-N 296.223 3.690 30 20 CHED N#CC1(c2nc(-c3ccc4ccccc4c3)no2)CCC1 521941492 UNUOJRGRIATUMQ-UHFFFAOYSA-N 275.311 3.835 30 20 CHED Cc1ccc(N[C@@H](C#N)Cc2ccccc2)c(C)c1 604553114 KHTMXLWFTUXRNJ-MRXNPFEDSA-N 250.345 3.850 30 20 CHED N#Cc1cccc(NCC2(c3ccccc3Cl)CC2)n1 343470801 YGGIBXGWIGISMH-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 448667432 XMJVBUQONZQZOS-IAOVAPTHSA-N 284.403 3.952 30 20 CHED C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)C(C)(C)C1 443508177 IIOMVPCFOGYRKH-SECBINFHSA-N 283.297 3.597 30 20 CHED C=C[C@H](CC(=O)NCc1occc1C)c1ccccc1 343568010 XRGDYOKXEHMRCH-CQSZACIVSA-N 269.344 3.564 30 20 CHED CC1(C)CCCN(Cc2ccc(OCC3CC3)cc2)[C@H]1C#N 446976020 USNPAHHVDGHGJP-SFHVURJKSA-N 298.430 3.990 30 20 CHED N#CCC[C@@H](NCC1CCSCC1)c1ccccc1 602583637 SGQQFKSQQREMIA-MRXNPFEDSA-N 274.433 3.764 30 20 CHED Cc1cc(C(C)(C)NCCCC#N)ccc1Br 352399857 VZVNDGFDPXFFKO-UHFFFAOYSA-N 295.224 3.886 30 20 CHED Cc1ccc([C@@H]2CCN(Cc3cccc(C#N)n3)C2)c(C)c1 602650964 UDMXPHRPGLYLJU-MRXNPFEDSA-N 291.398 3.560 30 20 CHED CCc1cccc(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 447904499 QKHDZTGWXAKGPO-MOPGFXCFSA-N 298.430 3.676 30 20 CHED C=C(CC)COc1ccc(C(=O)N(CC)CC)cc1 358657465 SZLFSEFNJHTNAR-UHFFFAOYSA-N 261.365 3.514 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 604532913 SFZMVFHLOITBPH-RHSMWYFYSA-N 299.418 3.839 30 20 CHED CCOc1cc(F)ccc1N[C@@H](C#N)Cc1ccccc1 603955400 YVWHITFIQGYATF-OAHLLOKOSA-N 284.334 3.771 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1cccc(F)c1C#N 444459343 RLRQYNNUBHOFRQ-UHFFFAOYSA-N 293.301 3.739 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cccc(OC(C)(C)C)n1 539047110 RVVVWGBZZBNUEM-ZIAGYGMSSA-N 276.424 3.949 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCC1 264620517 PHLSOUDSAKFCJC-LLVKDONJSA-N 289.404 3.755 30 20 CHED C=CCCS(=O)(=O)Nc1ccc(Cl)cc1C(C)C 530146863 SVRWVIKPIBDRSB-UHFFFAOYSA-N 287.812 3.781 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-n2ccc(C)n2)cc1 357310293 XGXOXONJEMSACL-KRWDZBQOSA-N 283.375 3.722 30 20 CHED COC(=O)c1cccc(CSc2ccccc2)c1C#N 534430063 VGTPRDDFVHNKPT-UHFFFAOYSA-N 283.352 3.637 30 20 CHED C=CCN(Cc1cccnc1C)CC1CCCCC1 539830632 KOFFYDNYRFYIKG-UHFFFAOYSA-N 258.409 3.958 30 20 CHED C[C@@H](c1cccc(Br)c1)N(C)C[C@@H](C)C#N 268910198 MVKHHMVQKUEBCU-QWRGUYRKSA-N 281.197 3.602 30 20 CHED C=CCCN(CCC)CC(=O)Nc1ccc(Cl)cc1 533529197 WMAWAWVIICEYAN-UHFFFAOYSA-N 280.799 3.567 30 20 CHED CC1(C#N)CCC(NCc2cccc(OC(F)F)c2)CC1 449132799 BPDZUCCQXVNRTM-UHFFFAOYSA-N 294.345 3.850 30 20 CHED CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2C)C12CCC2 614402939 ZPECBOVDOYOEGC-ROUUACIJSA-N 298.430 3.646 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1/C=C\c1ccccc1 611541484 VFLWOHHGNXUFBJ-QXPKXGMISA-N 275.355 3.635 30 20 CHED C=CCOCCCSCc1cnn(-c2ccccc2)c1 359126819 NYPCWKCQBSTPOK-UHFFFAOYSA-N 288.416 3.698 30 20 CHED CCN(CC(C)C)C(=O)C[C@H](CC#N)c1ccccc1 354415475 GVIQRMQBIPTHPA-INIZCTEOSA-N 272.392 3.578 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2ccccc2)cn1 352591429 WYORRRHTJJFRKM-QGZVFWFLSA-N 295.342 3.752 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)n(C2CC2)c1C 352470182 IEUQJBCPYCHDDT-UHFFFAOYSA-N 274.408 3.772 30 20 CHED C[C@@H]1CCCC[C@H]1OCCNC1(c2cccc(C#N)c2)CC1 611396021 AQGKHKIXZQXYEY-CRAIPNDOSA-N 298.430 3.732 30 20 CHED C=CCCCC(=O)N1CCCCC[C@H]1c1ccncc1 267192017 KGACHOJPYVGABI-INIZCTEOSA-N 272.392 3.882 30 20 CHED CC1(C)C(CNC(=O)C[C@@H](CC#N)c2ccccc2)C1(C)C 358312567 RHPFYIUZGGPZOH-OAHLLOKOSA-N 298.430 3.872 30 20 CHED CC(=O)c1ccc(F)cc1OCc1ccc(C#N)c(C)c1 447304857 JVFJXGHSZXMKHB-UHFFFAOYSA-N 283.302 3.787 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(Nc2cnn(C)c2)c1 443290951 DKASNNMKBVCGAU-QGZVFWFLSA-N 298.390 3.705 30 20 CHED COc1ccc(CN2CCC[C@@](C)(C#N)C2)c2ccccc12 612406769 SUZKEDHNZVIKOP-IBGZPJMESA-N 294.398 3.974 30 20 CHED CC1(C)CCC(CC(=O)N2CCC[C@@](C)(C#N)C2)CC1 612237911 OTMUGFLOYAYHKQ-KRWDZBQOSA-N 276.424 3.745 30 20 CHED C=CCCCCCN(C)C(=O)c1sccc1CN(C)C 268078152 FPLBGMUOMVXKIS-UHFFFAOYSA-N 294.464 3.628 30 20 CHED C=C(CNC(=O)NC1CCC(C)CC1)c1ccccc1 352934058 GFHQAQIVRBSPKL-UHFFFAOYSA-N 272.392 3.578 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](CC)CC(F)(F)F)C1 617776872 CUESMXDJXPNKOJ-RYUDHWBXSA-N 277.330 3.780 30 20 CHED CC1(C)CCN1C(=O)c1ccccc1-c1ccccc1C#N 531086804 JBNUYRRXUADCJA-UHFFFAOYSA-N 290.366 3.850 30 20 CHED C=C(C)COCCNC[C@@H](CCC)c1ccccc1 539560595 UFWNYYAPOHIYIY-QGZVFWFLSA-N 261.409 3.753 30 20 CHED N#Cc1ccc(NCc2nc(CC3CCCCC3)no2)cc1 612912006 LKCUTQITPONTML-UHFFFAOYSA-N 296.374 3.676 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C2=CCCC2)cc1 456256100 CNBHFGIGOLFZMI-MSOLQXFVSA-N 297.398 3.717 30 20 CHED C=CC1CCN(Cc2cc(OC)ccc2OC(F)F)CC1 537627572 SLIJIBSWOCZCAN-UHFFFAOYSA-N 297.345 3.695 30 20 CHED C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H](C)S1 533019311 VRDQOSICACREDZ-CHWSQXEVSA-N 279.836 3.517 30 20 CHED C=C1CCN(C(=O)C[C@H](c2ccccc2)C(C)C)CC1 264499034 PMPBTKBHVCNOMZ-KRWDZBQOSA-N 271.404 3.995 30 20 CHED CC(C)c1ccc([C@H](C)N2CC[C@](F)(C#N)C2)cc1 615646131 RNPGPIWGEIHGLP-BBRMVZONSA-N 260.356 3.809 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(C)cccc1Cl 451626183 RRIWEBUDLLNZEC-LLVKDONJSA-N 251.757 3.733 30 20 CHED Cc1[nH]ccc(=N[C@H](C)c2cccc(C#N)c2)c1Cl 619587040 GDHOSHZWGLTQCH-SNVBAGLBSA-N 271.751 3.510 30 20 CHED CC(C)C[C@H](Nc1nccc(C#N)n1)c1cccs1 450371016 DBDPIYWJBMVPRG-LBPRGKRZSA-N 272.377 3.609 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CCN3CCC[C@@H]3C2)c1 272894506 OMBBRUSNQNWOIS-IAGOWNOFSA-N 286.419 3.680 30 20 CHED CC(C)(CC#N)CNCc1ccc(F)c(Cl)c1 459737741 WFMJPOJYHUMMJP-UHFFFAOYSA-N 254.736 3.509 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCCc2ccc(O)cc2)n1 613414687 IESXONMBAXULTD-UHFFFAOYSA-N 295.386 3.611 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CC23CCC3)CC1 613616241 MCXKRWTXEMWPLY-FVRSWCFKSA-N 288.435 3.791 30 20 CHED N#Cc1ccc(CN2CCc3c(F)cc(F)cc32)c(F)c1 549585803 XLVNSKSUCANUPJ-UHFFFAOYSA-N 288.272 3.538 30 20 CHED C=C(CC)CNC(=O)N[C@H]1CCSc2c(F)cccc21 454323050 CXPVAHXTSBEQNM-ZDUSSCGKSA-N 294.395 3.628 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CC(F)(F)C1 450450851 HRUYXRVBVOZLQA-CVEARBPZSA-N 290.357 3.803 30 20 CHED N#CCCCC(=O)Nc1ccc2ccc(Cl)cc2n1 360580859 KEAYNXRYHMBCCT-UHFFFAOYSA-N 273.723 3.521 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]12)c1ccc(C#N)cc1 278778789 PRJGNXKFLBTHSQ-XMTFNYHQSA-N 284.403 3.557 30 20 CHED CCC[C@@H](NC(=O)N(C)CC(C)(C)C#N)C1CCCC1 459314932 LJCYMKJINNAWGV-CQSZACIVSA-N 279.428 3.536 30 20 CHED CC(C)[C@H](C#N)NC(=O)CCCc1ccc2ccccc2c1 271796980 KCCSWYOJZIDVER-SFHVURJKSA-N 294.398 3.827 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(C(F)(F)F)cn1 620863217 KIUAIETVPPEHCJ-UHFFFAOYSA-N 286.297 3.575 30 20 CHED C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CC#N)C1CC1 274245680 VGRBZBSXGJUZSA-JTQLQIEISA-N 296.292 3.671 30 20 CHED N#CCCCNCc1cccc(OCc2ccccc2F)c1 273110625 XLZBDBSHDLTBKO-UHFFFAOYSA-N 298.361 3.798 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 620857111 NYVZTCSZMPWVQR-HUUCEWRRSA-N 275.367 3.790 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 450785669 BNOWPTJPCGIAKC-ATEUNZGCSA-N 297.185 3.720 30 20 CHED C=CCCN(C)Cc1coc(-c2c(F)cccc2F)n1 276356799 FFLKGPAHPBTSCI-UHFFFAOYSA-N 278.302 3.628 30 20 CHED C=CCC[C@H](NC(=O)CC(C)(C)C#N)c1ccccc1 278297495 DDJZEEOFIYYFEG-HNNXBMFYSA-N 270.376 3.750 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C 545979141 KZHPXARJFLRGJL-QWHCGFSZSA-N 262.353 3.909 30 20 CHED C=CCC1(NC(=O)[C@@H](CCCC)C(C)C)CCOCC1 622939642 ABJRKKCOWVHJTB-HNNXBMFYSA-N 281.440 3.690 30 20 CHED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467839852 PDFLKFZWRFGOOE-LSJOCFKGSA-N 297.185 3.515 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 466377964 IXQUKDVTDZBYHV-LLVKDONJSA-N 290.363 3.670 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(O[C@@H](C)CC)c1 465156483 MDAZRXQBUUXYKF-RYUDHWBXSA-N 262.353 3.560 30 20 CHED C=CCCCCNc1cccc(C(=O)OC(C)(C)C)n1 555195055 NUBAVGHLXRNWCL-UHFFFAOYSA-N 276.380 3.805 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2c2ccccc2)C1 463307645 YDZAXKYIZLHUPT-LAVFITLUSA-N 268.404 3.995 30 20 CHED CC(C)(C#N)CCCSCC(=O)Nc1ccccc1 282288616 WEZYLFOFRJLASQ-UHFFFAOYSA-N 276.405 3.688 30 20 CHED Cc1cc(C(F)(F)F)nn1[C@H](C)c1ccc(C#N)cc1 289930175 VEEGSMCYUIMYRG-SNVBAGLBSA-N 279.265 3.691 30 20 CHED CC#CCCCC(=O)OCc1cnc2c(F)cccc2c1 286819065 CCMQFBFGSOHWEO-UHFFFAOYSA-N 285.318 3.611 30 20 CHED C[C@@H](CCNC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 551131649 YBABYJKKCHXLNZ-ZDUSSCGKSA-N 296.345 3.621 30 20 CHED Cc1cc2cc(CNCC(C)(C)CCC#N)ccc2[nH]1 285435971 HVEFASQZAGJFCB-UHFFFAOYSA-N 269.392 3.896 30 20 CHED COc1cc(OCc2ccc(C(C)C)nc2C)ccc1C#N 558852584 JOFGTWHHFJQSQK-UHFFFAOYSA-N 296.370 3.973 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)cn2)n1 551536062 OWXTVSRGRYFZSP-QWHCGFSZSA-N 282.347 3.687 30 20 CHED C=CCC[C@@H](NC[C@](C)(OC)C1CC1)c1ccco1 462815412 CZALBZXBIPQABK-ZBFHGGJFSA-N 263.381 3.692 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@]1(C)CCC[C@@H]1C 460058139 YLYLNRKEWUOPDG-SJCJKPOMSA-N 286.375 3.722 30 20 CHED C[C@H](NCC1CCC(C#N)CC1)c1cc(F)ccc1F 282483729 TULGZSMTBZAVOF-HIFPTAJRSA-N 278.346 3.945 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1c(C)ccn1C 473363854 GLSUYHPVBVVMSV-UHFFFAOYSA-N 282.387 3.552 30 20 CHED N#Cc1cc(SCc2ccccc2C2CC2)ncn1 555805071 RCCZJWMEHSXBAW-UHFFFAOYSA-N 267.357 3.518 30 20 CHED Cc1ccsc1CN(C)c1ccc(Cl)c(C#N)n1 558892587 HCORKEBIXQEGQX-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2c(C)noc2C)CCCCC1 648930022 XYUFAYAJOFGHHF-GFCCVEGCSA-N 290.407 3.995 30 20 CHED CN(Cc1cc2ccccc2o1)[C@H]1CC[C@@H](C#N)C1 292833117 OYMAZXUAMMXXFR-OCCSQVGLSA-N 254.333 3.557 30 20 CHED C=CCCCCCCCNC(=O)N[C@H](C)C1CC1 809875412 LNPVMPSNYXDVRP-CYBMUJFWSA-N 252.402 3.611 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 562925620 QCODFGAIDZQMLS-OWLYRPNTSA-N 296.414 3.708 30 20 CHED C=C(C)CN(C)C(=O)c1cc2ccccc2c(OCCC)n1 479216366 NGNDGWSYPPFCHM-UHFFFAOYSA-N 298.386 3.672 30 20 CHED CC[C@@H](NCc1occc1C)c1ccc(C#N)cc1 293705115 OPEIWAYFOGEAAX-OAHLLOKOSA-N 254.333 3.701 30 20 CHED CC#CC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 801160352 AMJMWLGSYYTBFA-AWEZNQCLSA-N 263.768 3.567 30 20 CHED CC[C@@H](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 567387458 QYNNFKSULBRMMP-SNVBAGLBSA-N 264.756 3.976 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc(C)c(Br)c1 296071493 FNWACBDNZRCNNX-ZDUSSCGKSA-N 296.164 3.603 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(Cl)cn2)CCCC1(C)C 470310212 VGXWKYGITGPLML-CQSZACIVSA-N 292.810 3.942 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccccc1SC 800010524 UCNWLJWDCRLXDO-QWHCGFSZSA-N 294.416 3.994 30 20 CHED O=C(/C=C/c1cnccn1)c1ccc(Cl)c(Cl)c1 809152707 VPTSHWZFMUBLLP-DUXPYHPUSA-N 279.126 3.680 30 20 CHED C#CCOCSc1nnc(-c2ccc(C(C)C)cc2)o1 292578391 FRIFSGGYPAITOI-UHFFFAOYSA-N 288.372 3.559 30 20 CHED C#C[C@H](NC(=O)c1cc(C)c(C)cc1Cl)C(C)(C)C 807880685 OUIDOIRJQLUXFQ-AWEZNQCLSA-N 277.795 3.735 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(C#N)ccc1Cl 803831206 IFSGEXWOEOTBPE-UHFFFAOYSA-N 290.750 3.698 30 20 CHED N#CCCCC(=O)N(Cc1ccccc1)Cc1ccco1 292702468 SERXHDLIKQVGMA-UHFFFAOYSA-N 282.343 3.502 30 20 CHED CCCC[C@H](C)C(C)=NNc1ncncc1Cl 807983795 XYZCALVAKNJMIO-VIFPVBQESA-N 254.765 3.744 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc(F)c(F)c2F)CC12CCCC2 297842687 LWESNEXERLCJSJ-OAHLLOKOSA-N 294.276 3.516 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CCC1 479801964 IKNDWVKYQLWZMB-CABCVRRESA-N 261.409 3.818 30 20 CHED N#Cc1cccnc1SCc1cccc(F)c1F 809292735 KSIHHCGGZAJMOJ-UHFFFAOYSA-N 262.284 3.524 30 20 CHED C=C(C)[C@H](NCC1CCC1)c1ccc(F)c(F)c1 481613011 SVHQZDBYNAVWSF-HNNXBMFYSA-N 251.320 3.972 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1NCCC 489968921 BVLUVMNIJDZQQB-UHFFFAOYSA-N 283.375 3.748 30 20 CHED c1cc2c3c(c1)C(=NNC1CCCCC1)CC[C@@H]3CN2 814910112 QYNWMJFMQKZEMN-GFCCVEGCSA-N 269.392 3.616 30 20 CHED Cc1cc(Cl)cc(C=NO[C@@H]2CCCCO2)c1 814888123 QFYKXUOUZHDHIQ-CYBMUJFWSA-N 253.729 3.526 30 20 CHED C=C[C@H]1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2 488817414 ORZBSLHQYDVKPN-KUNBBXKYSA-N 273.420 3.770 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CCC[C@H](OC)C1 814414255 UMEHWZPFAPFRGK-CABCVRRESA-N 269.429 3.668 30 20 CHED C=CCCCCCCCNC(=O)NC[C@H]1CCC=CO1 811908825 YOYCICZDBGUPTK-OAHLLOKOSA-N 280.412 3.505 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1ccc(C)s1 819816359 ZXMJHOJBYQBRCE-LLVKDONJSA-N 259.378 3.526 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@H](CCO)c1ccccc1 657889711 TVQHKOPJUIZBAV-GUDVDZBRSA-N 287.447 3.877 30 20 CHED C=CCCC(=O)Nc1cnn(CCCC)c1C(C)C 482731372 GENAJUYLLQUJRL-UHFFFAOYSA-N 263.385 3.711 30 20 CHED Cc1nc(N2CC[C@H](c3ccccc3)[C@H]2C)ccc1C#N 488118284 AKPRAYKIXYWTGS-PBHICJAKSA-N 277.371 3.644 30 20 CHED CCCCCCCCN1CC[C@@]2(CCCN(C)C2)C1 815143421 KJSZMHOTOJASBZ-QGZVFWFLSA-N 266.473 3.765 30 20 CHED N#Cc1cccc(NCCCc2ccc3c(c2)CCO3)c1 482073578 VSMTZPVTKDQRAJ-UHFFFAOYSA-N 278.355 3.538 30 20 CHED CC1(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)CCCC1 813212466 CGELIXFQPDKILF-NSHDSACASA-N 296.292 3.857 30 20 CHED C=CCCCC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F 482222581 GHOLUBXZIVZAOB-NEPJUHHUSA-N 277.330 3.828 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\C1=Cc3ccccc3OC1)C2 811695230 AVHMZOUCDWKUEO-IUXPMGMMSA-N 299.329 3.699 30 20 CHED Cc1cccc2c1CCN(c1c(F)cc(C#N)cc1F)C2 729183577 JCHMIOVTLITOQM-UHFFFAOYSA-N 284.309 3.708 30 20 CHED C[C@@H]1CCCC1=NNc1ncnc2sc3c(c12)CCC3 729140868 POVXENNCNCOLRN-SECBINFHSA-N 286.404 3.768 30 20 CHED C#CCCCOC(=O)/C=C(\C)c1ccccc1Cl 727630837 MHIFQYXHEGGEPX-VAWYXSNFSA-N 262.736 3.700 30 20 CHED CC#CC(=O)N1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 827910914 GCMWRQVBIOUOLN-HNNXBMFYSA-N 295.304 3.566 30 20 CHED C=CCN(C(=O)CCC(=O)c1ccc2c(c1)CCC2)C(C)C 728868678 MEDCIPXKEKQOFW-UHFFFAOYSA-N 299.414 3.561 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(Cl)c(Cl)c1 493910201 ZOJMDHZCYLRORA-UHFFFAOYSA-N 298.173 3.927 30 20 CHED C=CCN(C(=O)Nc1cccc2[nH]ccc12)C(C)C 729039447 XJFNJYDQMXTREF-UHFFFAOYSA-N 257.337 3.596 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1ccc(O)c(Cl)c1 588480311 ZUSDNIUKFCCZGZ-ALCCZGGFSA-N 283.714 3.813 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2C[C@H](C(C)C)c3ccccc32)n1 583161516 BPOPUCSNLUQNKH-IAGOWNOFSA-N 292.386 3.953 30 20 CHED Cc1cccc([C@H](c2noc(C(C)(C)C#N)n2)C(C)C)c1 583466996 HBSYJNHRTQTNIU-CQSZACIVSA-N 283.375 3.967 30 20 CHED COc1ccc(N(CCCCC#N)CC(C)C)cc1 726597505 RQWUEVMCCNMYMT-UHFFFAOYSA-N 260.381 3.851 30 20 CHED COc1cccc(NN=Cc2ccc3ncccc3c2)c1 725852987 BEUWIBAVHLFSLA-UHFFFAOYSA-N 277.327 3.689 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C(=O)O)s2)ccc1F 729150951 RBWOZHNTNZJTBG-HYXAFXHYSA-N 290.315 3.790 30 20 CHED N#Cc1c(F)cccc1SCc1cn2ccccc2n1 583062964 GBRRCRRCMAYPEI-UHFFFAOYSA-N 283.331 3.637 30 20 CHED C[C@@H]1C[C@@H](NC2CCC(Oc3ccccc3C#N)CC2)[C@@H]1C 495051382 VMNALOWSJWKELG-MBZIKMLFSA-N 298.430 3.882 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CCCCS1)c1ccccc1 490200311 ILXJXTKHCNDPIN-CVEARBPZSA-N 289.444 3.748 30 20 CHED C[C@H](CC#N)Sc1ccccc1NCc1nncs1 901986306 WMMJSNDQCMIIOZ-SNVBAGLBSA-N 290.417 3.544 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(C(=O)O)cc1F 901754783 DAEAGTBYROGYQQ-GFCCVEGCSA-N 279.355 3.748 30 20 CHED C[C@H](c1ccc(C(=O)OCC2(C#N)CC2)cc1)C(F)(F)F 835414723 JIIUBHLKVFVBHV-SNVBAGLBSA-N 297.276 3.813 30 20 CHED Cc1nn(C)c2nccc(OCCCCC3(C#N)CCC3)c12 902734690 MFAOIGDZMYVPGP-UHFFFAOYSA-N 298.390 3.520 30 20 CHED C=CCCC1(c2nc(Cc3ccccc3F)no2)CC1 581908949 CSHVBKKWVWHACM-UHFFFAOYSA-N 272.323 3.797 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2nc(C)c(C)[nH]2)cc1C 901430118 HCJYYPRETAUPEX-VOTSOKGWSA-N 268.360 3.848 30 20 CHED Cc1ccc2c(c1)N(C(=O)CCCCCC#N)CCC2 588924811 FFYJZRWMCNPRAN-UHFFFAOYSA-N 270.376 3.748 30 20 CHED C[C@H](C#N)OC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 730635282 JTRLSBIUGYJWIH-RKDXNWHRSA-N 286.158 3.627 30 20 CHED C=C(C)COc1cccc(N[C@H](C)C(=O)OC(C)(C)C)c1 738414265 FVNAHMNPCGJLKF-CYBMUJFWSA-N 291.391 3.784 30 20 CHED C[C@H](C(=O)OCc1cc(C#N)ccc1F)c1cccs1 738793621 DPJJEGAORWGDRZ-JTQLQIEISA-N 289.331 3.606 30 20 CHED C=CCC1(C(=O)Nc2ccc(CN(C)C)cc2C)CCC1 909602526 UGQDBYGYVNGILD-UHFFFAOYSA-N 286.419 3.742 30 20 CHED COCCCCNc1ccc(OC(C)(C)C)c(C#N)c1 834634765 HEFPNCJYHQBJFU-UHFFFAOYSA-N 276.380 3.574 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1cccc(C2CC2)c1 834444855 UAVQKPZFAYOJEV-MDZDMXLPSA-N 280.371 3.756 30 20 CHED Cc1cc(NN=C2CCC[C@H]2Cc2ccccc2)ncn1 735614902 HGGMTGZJLCQHKS-HNNXBMFYSA-N 280.375 3.596 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)O 901871465 MAYWIIVJKZJCSD-XIRDDKMYSA-N 289.419 3.653 30 20 CHED CC(C)C[C@@H](C)OC(=O)N[C@H]1CCc2cc(C#N)ccc21 831307561 CNXROLFBTLBTDD-WBMJQRKESA-N 286.375 3.706 30 20 CHED C=CCc1ccc(OC(=O)CC2CC(F)(F)C2)c(OC)c1 835053100 SAEHQGZICMRDGH-UHFFFAOYSA-N 296.313 3.765 30 20 CHED Clc1cccc(C#CCN2CCOc3ccccc3C2)c1 676556916 BAHXCIFWBDLGHD-UHFFFAOYSA-N 297.785 3.586 30 20 CHED COc1ccc([C@@H](NC(=O)C#CC(C)(C)C)C(C)C)cc1 837323422 MHZWLQQWKARABH-KRWDZBQOSA-N 287.403 3.558 30 20 CHED CC(C)c1nnc(S)n1N=Cc1cccc2ccccc12 916312861 SPCZGHKBLBWANC-UHFFFAOYSA-N 296.399 3.726 30 20 CHED C[C@H]1CC[C@@H](C)C(=NNc2nc(O)c3ccccc3n2)C1 834961992 SYFMQGSOKUHXOH-WDEREUQCSA-N 284.363 3.559 30 20 CHED CCCCCCCN1CCC[C@@H](CC(C)(C)C(N)=O)C1 830558231 PUXKEVLNWJTRMM-HNNXBMFYSA-N 282.472 3.570 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1nc(C)cc(C)c1C#N 598858398 NKCYUIXMNCPJEV-LBPRGKRZSA-N 273.380 3.581 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C=C(C1CC1)C1CC1 741642694 VOXAFQMOPWOWDD-UHFFFAOYSA-N 299.345 3.523 30 20 CHED CC(C)(C)c1ccccc1OCC(=O)OCCCCC#N 914618928 DHDMDJNJIYBMIV-UHFFFAOYSA-N 289.375 3.600 30 20 CHED C#CCNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 742711686 BAKWRJPEPQROCJ-OAHLLOKOSA-N 292.382 3.689 30 20 CHED COc1cccc(NN=Cc2cc(Cl)ccc2OC)c1 917541039 KLBAEGKFPJZVRF-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CCOC1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 595046481 ZZICRHRFNHWHKI-FAFZWHIHSA-N 298.430 3.873 30 20 CHED Cc1ccccc1C=NNc1ncccc1C(F)(F)F 915051303 PDWGZSXHFQXBIY-UHFFFAOYSA-N 279.265 3.855 30 20 CHED Cc1cccc(N(C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 593976953 MAYQQRBPDGYEPN-OAHLLOKOSA-N 292.382 3.708 30 20 CHED Cc1ccccc1C[C@@H](C)NCCc1ccc(C#N)cc1 594955287 MPWIJUZKDBFPDD-MRXNPFEDSA-N 278.399 3.630 30 20 CHED Cc1nc(C)c([C@@H](C)N(C)CCc2ccc(C#N)cc2)s1 595314845 WBWXGOQLOYHWBR-CYBMUJFWSA-N 299.443 3.867 30 20 CHED CC(C)(C/N=C\c1ccccc1O)c1ccccc1F 749749002 SKORTAATHNYOGF-ODLFYWEKSA-N 271.335 3.928 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 919364899 GKTUPAPMCKOJQY-MNOVXSKESA-N 277.286 3.592 30 20 CHED CCC[C@@H](C)C(CC)=NNc1nc(-c2ccncc2)no1 748248697 KJVLXMKWAVISFH-LLVKDONJSA-N 287.367 3.746 30 20 CHED C=CCN(C(=O)N[C@@H](CC)C1CCCCC1)C1CC1 678543827 LIMRMGNIMYGZAB-HNNXBMFYSA-N 264.413 3.705 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NCC(C)(C)CC#N 591243352 ZUKSUHCCQVMKEY-BBRMVZONSA-N 256.393 3.839 30 20 CHED CCC(=NNc1ncc(Br)cn1)C1CCCC1 848420407 ZWJCQWBGQVUZMD-UHFFFAOYSA-N 297.200 3.607 30 20 CHED C=C(C)CCN1CCC(OCc2ccc(F)cc2)CC1 681408793 ZJEKXFLFBZMUNA-UHFFFAOYSA-N 277.383 3.773 30 20 CHED CC(=NNc1ccccc1)c1ccc2c(c1)OCCCO2 916245971 QDKMLIPIIBVUMP-UHFFFAOYSA-N 282.343 3.684 30 20 CHED C#CC[C@H](NC(=O)N1CC(C)(C)C[C@@H]1C)c1ccccc1 840331818 FAWBJXKUEQAUAJ-HOCLYGCPSA-N 284.403 3.581 30 20 CHED C=CCCCC(=O)N1CCCc2cc(C)cc(F)c21 748674260 SEEFBGHPKDBSSV-UHFFFAOYSA-N 261.340 3.770 30 20 CHED Oc1ccc2ccccc2c1/C=N\CC[C@@H]1C[C@H]2CC[C@H]1O2 840712478 YYQWSMJQRYQEHV-ARRSMFEWSA-N 295.382 3.922 30 20 CHED Cc1cc(C)nc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)n1 916241088 GGMRVXAYCCYGBL-UONOGXRCSA-N 272.396 3.852 30 20 CHED C#CCN(C(=O)N[C@@H](C)CCC(C)C)C1CCCCC1 744809879 BDDBWRUSNQVCLB-HNNXBMFYSA-N 278.440 3.789 30 20 CHED FC(F)(F)c1ccc(CON=C2CCn3cccc32)cc1 746576450 NNVYIBPUTJKKOE-UHFFFAOYSA-N 294.276 3.832 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cccc(C(C)(C)C)c1 593999746 ICWKUGJGUJDZNX-OAHLLOKOSA-N 272.392 3.652 30 20 CHED CC(C)[C@@H](CC(=O)N(C1CC1)[C@@H](C)C#N)c1ccccc1 598130742 UXZWUKVLIHWQDW-WMLDXEAASA-N 284.403 3.719 30 20 CHED CCOc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1OC 924657122 URPDSKXTILYRBS-CYBMUJFWSA-N 290.407 3.512 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C(C)=C/c1cccc(Cl)c1 847170583 ZYNUSYNSEOWJML-ZHZWZMEUSA-N 276.767 3.504 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cccc(C#N)c1 743449274 UAIZLRJJLMNKHF-CQSZACIVSA-N 257.381 3.841 30 20 CHED O=C1/C(=C\c2ccc(Cl)c(F)c2)Oc2cc(O)ccc21 921266297 XGIIGQVGSSSEDN-MKMNVTDBSA-N 290.677 3.801 30 20 CHED CC1(C)CCC(C(=O)OCC(=O)c2cccc(C#N)c2)CC1 748314877 LCDDDFSVVQRGMF-UHFFFAOYSA-N 299.370 3.501 30 20 CHED Cn1cc(Cl)cc1C(=O)OCCC1(C#N)CCCCC1 840066892 KQAIJDVWLZVDHG-UHFFFAOYSA-N 294.782 3.699 30 20 CHED C#CCCCCNc1nnc(-c2cccc(Cl)c2)o1 849166158 UDONTKZJZGJJAG-UHFFFAOYSA-N 275.739 3.605 30 20 CHED Fc1ccccc1NN=C1CCc2c(F)cccc21 921257720 QGYAEXUWMPNOLX-UHFFFAOYSA-N 258.271 3.727 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1nccc2ccccc12 851209924 LFLHDXDSHOAGFS-GFCCVEGCSA-N 282.343 3.720 30 20 CHED CCc1cccnc1C(C)=NNc1ccc(C)c(F)c1 853438970 WBNJCAYYHOMPES-UHFFFAOYSA-N 271.339 3.928 30 20 CHED COc1cc(F)cc(NN=C(C(C)C)C2CC2)c1 759205312 DLHVVMBOMGBHMO-UHFFFAOYSA-N 250.317 3.668 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1cc(F)cc(F)c1O 757473669 NUBLWGLWXDFNFG-RQOWECAXSA-N 296.219 3.845 30 20 CHED CC#CCOC(=O)[C@H](c1cccc(Cl)c1)C(C)C 750444433 IXSMRXNKULSSMT-AWEZNQCLSA-N 264.752 3.646 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCc1cccs1 925673171 AOPTVLOKNACXIA-LBPRGKRZSA-N 250.411 3.599 30 20 CHED C=CCC[C@@H](NCC1CCC(CCC)CC1)C(=O)O 756389974 UBLRJYRDUIYOFY-YMAMQOFZSA-N 267.413 3.602 30 20 CHED C#CCCCCNC(=O)N(CCC(C)C)C1CCCC1 758887752 GXDIMSHXDWBFFE-UHFFFAOYSA-N 278.440 3.790 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccc(OC)cc1O 757471277 AAVXRZBJLKMFBP-DHZHZOJOSA-N 298.338 3.696 30 20 CHED CC1(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1348338317 HMYAMIUXVATGOO-UHFFFAOYSA-N 262.740 3.730 30 20 CHED Cc1cccc(NN=Cc2cnc([C@H]3CCCO3)s2)c1 755465539 KIVLKQGORALHEG-CQSZACIVSA-N 287.388 3.749 30 20 CHED N#CCCCCOC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 756373647 YGQZAQXTAVZROQ-RBSFLKMASA-N 263.381 3.830 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1ccc(C#N)cc1 751131088 PXSNEAAKQQKJMT-LBPRGKRZSA-N 261.328 3.567 30 20 CHED CCCCCCCCNC(=O)N1CCOC2(CCCC2)C1 754862856 OHWAKGWVXGTZEJ-UHFFFAOYSA-N 296.455 3.702 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1csc(-c2ccncc2)n1 935401894 KUCYWUNEALSYNH-NSHDSACASA-N 287.388 3.746 30 20 CHED C#CCCCCNC(=O)[C@H](CCC)CC1CCCC1 758639679 MPGCZAQRUJYBJM-MRXNPFEDSA-N 263.425 3.903 30 20 CHED COc1ccc(NN=C/C=C\c2ccccc2)c([N+](=O)[O-])c1 767803440 PFIMTKVPMMRARX-HPQKFPEESA-N 297.314 3.715 30 20 CHED C#Cc1ccc(NC(=O)N(C)[C@@H](C)CCCC)cc1 934926581 YNGIBKQERUVBRJ-ZDUSSCGKSA-N 258.365 3.710 30 20 CHED C/C(=C\c1c(Cl)cccc1Cl)C(=O)O[C@@H](C)C#N 766794821 QSJAAGOLDMMTDJ-ORZBULNSSA-N 284.142 3.852 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC)c1ccc(OC)c(OC)c1 930064911 WXHQJHZUBPBLBG-ZDUSSCGKSA-N 291.391 3.659 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](CC)CCc1ccccc1 862691880 WGMIFXDPUJPYSF-MRXNPFEDSA-N 271.404 3.564 30 20 CHED C#CC[C@@H](NCCCC1CCOCC1)c1ccccc1 769537386 KAMNYVZWKRXAHF-GOSISDBHSA-N 271.404 3.547 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNC(=S)Nc1cccnc1 769566855 JBTLMNOOLXHEQT-NEPJUHHUSA-N 290.436 3.570 30 20 CHED CC(=NOCC1CC1)c1ccc(OCC(F)(F)F)cc1 763181337 ZZFSTGFYUIBQAX-UHFFFAOYSA-N 287.281 3.778 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCCCCCN2CCCC2)C1 765927382 RNAIPIBNWSPLEK-QZTJIDSGSA-N 291.483 3.705 30 20 CHED C#C[C@H](OC(=O)CC[C@H]1CC[C@H](C)O1)c1ccc(C)cc1 860964659 VXVKIESEKIUONK-UAGQMJEPSA-N 286.371 3.560 30 20 CHED CC(C)[C@@H]1CC(=NOC2CCOCC2)c2ccccc21 766478522 QXPBLOOMRXIHFZ-INIZCTEOSA-N 273.376 3.730 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CC(C)(C)C[C@H]2C)o1 766014392 SXXPIJUBYVLPHR-LLVKDONJSA-N 288.395 3.969 30 20 CHED C/C=C(/C=C\C(=O)OCc1cccc(C#N)c1)CC 767664485 ZKIRSKUEBQTLBA-HLQKFELGSA-N 255.317 3.514 30 20 CHED CCCCCCCC(=O)Nc1cccc2c[nH]nc12 1115831208 UIPQCHJFGLGBLM-UHFFFAOYSA-N 259.353 3.862 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cccn1C1CC1 1117743538 HNFJDMAENSPXOW-UHFFFAOYSA-N 291.398 3.883 30 20 CHED CC(C[C@H]1CCOC1)=NNc1c(F)cccc1Cl 769827178 QMMQQXJGLAQOSP-SNVBAGLBSA-N 270.735 3.694 30 20 CHED C#CCCCNc1nnc(Cc2ccc(Cl)cc2)s1 777767437 JNXXTIXLEFGYCH-UHFFFAOYSA-N 291.807 3.608 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)[C@H]1CCCOC1 777447561 HDBGBEZVQALOGS-ZWKOTPCHSA-N 288.435 3.646 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1cccc(F)c1F 776268914 WHAIHOZQWSWLIS-XQRVVYSFSA-N 279.673 3.909 30 20 CHED N#Cc1ccc(/C=C2\CCc3ccc(F)cc3C2=O)s1 776191058 AEWIKWUUXWVUGL-YRNVUSSQSA-N 283.327 3.971 30 20 CHED C#C[C@H](C)NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 772962270 LOSXALGZIHSSDN-LPHOPBHVSA-N 291.394 3.541 30 20 CHED C=CCc1cc(C=NOC2CCCCC2)cc(OC)c1O 777459275 PHTJWCHYMKYOIA-UHFFFAOYSA-N 289.375 3.813 30 20 CHED CC[C@@](C)(NCCOc1ccc(C#N)cc1)c1ccccc1 775390205 KAVWVUGWENQOLN-LJQANCHMSA-N 294.398 3.852 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1ccc(F)cc1F 773624391 NAIKXCLUAOVOBX-LLVKDONJSA-N 266.287 3.763 30 20 CHED N#Cc1cccc(NCc2nc3ccccc3s2)c1 16313324 HCTNWHZFLXSCPY-UHFFFAOYSA-N 265.341 3.780 30 20 CHED Cc1nc(CN[C@H]2CCCc3cc(C#N)ccc32)sc1C 775397095 TZWKDKDTNBGMMP-INIZCTEOSA-N 297.427 3.799 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](c2ccccc2C)C1 779896481 WDSWWUVLNKLCSV-QGZVFWFLSA-N 283.415 3.895 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccc2c(c1)COC2 779742661 KUWFTZSLGSCSKK-CYBMUJFWSA-N 294.354 3.620 30 20 CHED C#CCCCCCC(=O)N[C@@H](c1ncccc1C)C(C)C 779946678 UFAXPGOGZWDZSF-QGZVFWFLSA-N 286.419 3.787 30 20 CHED Cc1cccc(/C=C2\CC(=O)Nc3ccccc3C2=O)c1 774140089 DSDKITJJKATHDG-GXDHUFHOSA-N 277.323 3.604 30 20 CHED C=CCC[C@H](NC(=S)N[C@H](C)CC)c1ccccc1 771851908 WOLBBJWRMWAVQU-HIFRSBDPSA-N 276.449 3.957 30 20 CHED C=C(C)CCOC(=O)c1cnc(OC(C)C)c(Cl)c1 770146119 VAGVIBXSHUERIF-UHFFFAOYSA-N 283.755 3.645 30 20 CHED C#CCCCCCC(=O)Nc1c(F)cccc1-n1cccn1 779920236 CTNFQHPGAJYRBS-UHFFFAOYSA-N 299.349 3.534 30 20 CHED C#CCCCCCC(=O)N1CCc2ccccc2[C@@H]1C 779919180 NMSKJGUSMIVVIQ-HNNXBMFYSA-N 269.388 3.716 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 1123798718 NACMCTFUBCTFCU-VIFPVBQESA-N 255.720 3.623 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1cccs1 782303357 XAOFDOQATPTFHT-WAYWQWQTSA-N 261.371 3.978 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCc2cccnc21 886626758 KFUWQEQKYHEWQM-MSOLQXFVSA-N 278.399 3.846 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H]2CCCC[C@@H]2C)o1 783838315 WONIXEKFSUFTHW-NWDGAFQWSA-N 274.368 3.894 30 20 CHED CC(C)c1nc(/C=C\C(=O)c2cncs2)c2ccccn12 787171547 BDIGSXMAMJCAMF-SREVYHEPSA-N 297.383 3.810 30 20 CHED COc1ccc(CSCC2(C#N)CCC2)c(OC)c1 882308648 ZAGBFUHZRAHXGH-UHFFFAOYSA-N 277.389 3.631 30 20 CHED COc1ccccc1C=NNc1ccc(C#N)c(Cl)c1 783881424 YRMILDJUFQBXRX-UHFFFAOYSA-N 285.734 3.666 30 20 CHED Clc1ccccc1NN=C1COCc2ccccc21 782112188 AQBRMNYSFHZVBK-UHFFFAOYSA-N 272.735 3.686 30 20 CHED C=CC[C@H](NCc1cc2ccccc2[nH]1)c1ccncc1 788517037 YVLIQTKPLVRYNY-KRWDZBQOSA-N 277.371 3.970 30 20 CHED C=CCC1(C(=O)Nc2c[nH]nc2Cl)CCCCC1 897644630 KVRXKQBOXILPIW-UHFFFAOYSA-N 267.760 3.528 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cccc(Oc2ccccc2)c1 789833918 AZADCTWKDKFGON-CYBMUJFWSA-N 280.327 3.622 30 20 CHED C=CC(C)(C)CC(=O)OCc1oc(C(C)C)nc1C 891083371 BPGXRBWUDFGMMG-UHFFFAOYSA-N 265.353 3.752 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1ccccc1O 277664377 JGRSEFUOPAVYKS-UHFFFAOYSA-N 260.381 3.544 30 20 CHED C=CC(C)(C)CC(=O)OCc1oc(CCC)nc1C 891125505 UPZLYBMBPNPFOO-UHFFFAOYSA-N 265.353 3.581 30 20 CHED N#Cc1ccc(NCCc2ccc(OC(F)F)cc2)cc1 796455814 OHTDCJSRQREEQG-UHFFFAOYSA-N 288.297 3.814 30 20 CHED CCC[C@H](CN(CCC)Cc1ccc(C#N)cc1)OC 1204803831 SADPDKWSRRCLFH-QGZVFWFLSA-N 274.408 3.585 30 20 CHED C#CCOc1ccccc1CNCc1ccc(C2CC2)cc1 790996393 WLKYQBNJNMWISG-UHFFFAOYSA-N 291.394 3.866 30 20 CHED CC[C@H](C)NN=Cc1ccccc1OC1CCCC1 790191721 WKIIPNNHICLKHT-ZDUSSCGKSA-N 260.381 3.730 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccccc2-n2ccnn2)s1 794731262 JCSQYVHRQZFUJE-CMDGGOBGSA-N 295.367 3.533 30 20 CHED C=C(Br)CN1CCC(CC(F)(F)F)CC1 792934525 XIMISZADVKPDSD-UHFFFAOYSA-N 286.135 3.559 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc(OC(F)F)cc1 799877843 GZHOHAVHRYMRKT-LLVKDONJSA-N 298.333 3.893 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1 595609131 GPPUNBDNSASOLH-HNNXBMFYSA-N 264.372 3.965 30 20 CHED C#CCCCN(C)Cc1cccc(C(F)(F)F)c1 766895699 QLPCUVJZLLOJKT-UHFFFAOYSA-N 255.283 3.551 30 20 CHED Cc1cc(=NC[C@H]2[C@H](c3ccccc3)C2(C)C)c(C#N)c[nH]1 1307138875 RMJGJMTXTVMPMJ-WMZOPIPTSA-N 291.398 3.535 30 20 CHED N#Cc1ccc(CCSc2ccc3[nH]ncc3c2)cc1 1307356929 OLHKNHHUYOLFJM-UHFFFAOYSA-N 279.368 3.769 30 20 CHED C=CCn1cnnc1SCc1cccc(C(F)(F)F)c1 1317723951 LKVKPSPGOKQXGB-UHFFFAOYSA-N 299.321 3.775 30 20 CHED CC[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CC1(C)C 1310249698 DLCRJJQQNGMZIA-OCCSQVGLSA-N 289.354 3.644 30 20 CHED CC(C)[C@@H]1CCC[C@@H]1NCc1cccc(OCC#N)c1 1319894707 QFYLFKLWWCFWDQ-IRXDYDNUSA-N 272.392 3.503 30 20 CHED Cc1cccc(Cc2nnc(-c3cccc(C#N)c3)o2)c1 1322342822 JJMPOHAUQIRDHS-UHFFFAOYSA-N 275.311 3.508 30 20 CHED CC(C)CC1CCN(c2c(C#N)cccc2C#N)CC1 1320812997 GFOHVIOQSCMKHB-UHFFFAOYSA-N 267.376 3.692 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1cccc(C(F)F)c1 1322228416 WIRXHSMYTRCKKL-AWEZNQCLSA-N 294.345 3.874 30 20 CHED C/C(=C\C(=O)OCCCC(C)(C)C#N)c1ccco1 1327499864 LHCQLIRQNJYBMV-ZRDIBKRKSA-N 261.321 3.556 30 20 CHED C#CCCCCCC(=O)N[C@@H](CCC)C(C)(C)C 1326709396 XDBQLQSRWXVHJS-AWEZNQCLSA-N 251.414 3.901 30 20 CHED C=CCn1cnnc1SCc1ccccc1C(C)C 1336252599 FBUOHAAMUHIJIV-UHFFFAOYSA-N 273.405 3.880 30 20 CHED CC(C)(C)ON=Cc1ccc(N2CCCCC2)s1 1336205992 YGAHQDSILBGMSL-UHFFFAOYSA-N 266.410 3.887 30 20 CHED CCCCCCCCC/C=C/C(=O)N1C[C@@H]2C[C@]2(CO)C1 1338655975 KRKHKXOPLGRKJZ-KTGWGUMDSA-N 293.451 3.524 30 20 CHED CCCCCCCOC(=O)c1cc2c(cn1)OCCC2 1337578749 ZPYYZLZKDGJSRB-UHFFFAOYSA-N 277.364 3.534 30 20 CHED CCCSCC(=O)N(c1cccc(C#N)c1)C1CCC1 1331467719 DQFDHZKEJXCMCR-UHFFFAOYSA-N 288.416 3.587 30 20 CHED CN(Cc1ccc(C#N)cc1)[C@H]1CCc2c(F)cccc21 1253279802 JNBZKGKNMIRETM-SFHVURJKSA-N 280.346 3.817 30 20 CHED CCC[C@H](C(=O)Nc1cnc(Cl)cc1C#N)C(C)C 1337568567 YBVIDWDYHFFAKG-NSHDSACASA-N 279.771 3.617 30 20 CHED CC[C@H](F)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 1346343948 GOWFHZJYTYHKSR-IUCAKERBSA-N 296.754 3.874 30 20 CHED Cc1ccccc1-c1nnc(C2(C#N)CCCCC2)o1 1261427024 KLUQNOXHQYNRMM-UHFFFAOYSA-N 267.332 3.771 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2cc(F)cc(C#N)c2)c1 1438461743 DVYNEJZGCCHCOJ-GFCCVEGCSA-N 282.318 3.748 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccc(Cl)c(F)c2)c1 1275425949 OEEXQSCHEYGJAC-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)O)c(C)c1 105996459 KEFJCIPIQBXDLL-UHFFFAOYSA-N 277.364 3.992 30 20 CHED CC(C)CC1(C(=O)[C@@H](C#N)c2cccc(F)n2)CCC1 1516711168 SAYQMEZPXFHNFS-LBPRGKRZSA-N 274.339 3.613 30 20 CHED C=C(Cl)Cn1c(N(CC)CCCC)nnc1C(C)(C)C 1286635275 OEJNRZVZXGDDFN-UHFFFAOYSA-N 298.862 3.955 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](C)n1cnc2ccccc21 1514859000 NHMVZYXGTWKFDE-GJZGRUSLSA-N 297.402 3.555 30 20 CHED N#Cc1ccc(F)c(NC(=O)CCCC2CCCC2)c1 1528455887 FYBJJLNZGSAJQI-UHFFFAOYSA-N 274.339 3.996 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C)c(C#N)c1 1523823352 VEBVVWPBWOMXQC-HOCLYGCPSA-N 284.403 3.813 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N 224446371 KYSDGPWKHRMENF-ZIAGYGMSSA-N 291.376 3.553 30 20 CHED N#Cc1cc(NC(=O)c2cc3ncccc3o2)ccc1Cl 1525219747 OMKUQDCSCZITPE-UHFFFAOYSA-N 297.701 3.605 30 20 CHED CSc1ccc(CCC(=O)Nc2ccccc2C#N)cc1 1521475294 QZRPGYDFHXNELS-UHFFFAOYSA-N 296.395 3.851 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 1604124089 SXOPSXDTLXANAZ-BYCMXARLSA-N 286.375 3.615 30 20 CHED N#CC1(CCN2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)CCCCC1 1460165833 LMJNWCLQJQDTEM-LUKYLMHMSA-N 272.436 3.828 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(C(=O)O)co1 1602842531 JJHZNZCSSFPGRR-XJKSGUPXSA-N 299.370 3.816 30 20 CHED CSc1c(F)cccc1NC(=O)c1ccsc1C#N 1531812730 PCMYYBPCEPVLQX-UHFFFAOYSA-N 292.360 3.733 30 20 CHED Cc1ccc(C(=O)NCC[C@@H]2CCCC[C@@H]2C)cc1C#N 1538127835 NZKUJUNPSUGQJR-ZFWWWQNUSA-N 284.403 3.813 30 20 CHED O=C(O)c1csc(C(=O)/C=C/c2ccc3c(c2)CCC3)c1 1610870604 LXEHCOXIGFYCLI-FNORWQNLSA-N 298.363 3.831 30 20 CHED Cc1nc(C#N)cc(N[C@H]2c3ccccc3CCC[C@@H]2C)n1 1472752208 HKRNGHTVBWZXGM-KPZWWZAWSA-N 292.386 3.782 30 20 CHED CCCC[C@@H](CC)CC(=O)Nc1cc(C#N)cc(C)n1 1544535120 UMNMWCAJCMDTQF-CYBMUJFWSA-N 273.380 3.807 30 20 CHED CC(C)Oc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1 1544389665 DQBBPHKTDLWNNV-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]([C@H](C)O)C1 129896896 NFYJTXCCJRFUOA-JKSUJKDBSA-N 283.456 3.747 30 20 CHED COc1ccc([C@@H](C)CN2CCc3ccc(C#N)cc32)cc1 1559720691 QITXGFYJOQPECM-AWEZNQCLSA-N 292.382 3.733 30 20 CHED Cc1cc2c(NC(=O)[C@@H]3CCC[C@@H](C)C3)n[nH]c2cc1C#N 1557353891 ZFYOGURFYOVFHN-ZYHUDNBSSA-N 296.374 3.508 30 20 CHED C[C@@H](C#N)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 1645467813 WDTJTYXQFWRHIA-LBPRGKRZSA-N 289.338 3.933 30 20 CHED Cc1csc(-c2ccc(Nc3ncncc3C#N)cc2)n1 1642182912 HNWZULWSAXOUOZ-UHFFFAOYSA-N 293.355 3.524 30 20 CHED CCc1ccc(NCc2cccc(C#N)n2)cc1Cl 1659741961 QUAGWTXVSSMNCB-UHFFFAOYSA-N 271.751 3.781 30 20 CHED Cc1nc2ccccc2nc1CNc1cc(F)cc(C#N)c1 1652960287 SSJKJDWVCZJHPJ-UHFFFAOYSA-N 292.317 3.561 30 20 CHED Cc1cc(N2CCC[C@H](CC(C)C)C2)c(C#N)cn1 1651637016 YWESGFFNLBTGOX-CQSZACIVSA-N 257.381 3.524 30 20 CHED C[C@@H]1CCCC[C@H]1CN[C@H]1CCc2cc(C#N)ccc21 1651028141 HJYJSMNIOFQJDM-SKDZVZGDSA-N 268.404 3.961 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1cccc(C2CC2)c1 1584377187 KRIFLPYUPIRUBD-UHFFFAOYSA-N 292.338 3.697 30 20 CHED C=C(CC)CSc1ccc(-c2nn[nH]n2)cc1Cl 1588444334 XRGGYIGIEBRAIN-UHFFFAOYSA-N 280.784 3.578 30 20 CHED N#Cc1nc(SCC2CCCC2)sc1Cl 1651514537 ANXLBOZRRNFUOI-UHFFFAOYSA-N 258.799 3.950 30 20 CHED C=CCN(CC(=O)O)Cc1cc(Cl)cc2ccccc12 1776176813 YODICORIWVSFLC-UHFFFAOYSA-N 289.762 3.566 30 20 CHED C[C@@H](CC#N)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F 162294817 AXOBVMRDPOMTSN-QWRGUYRKSA-N 298.308 3.617 30 20 CHED CC(C)Oc1ccc(C(=O)/C=C\c2cccnc2)cc1 206084496 SQLNAGYQRBZZFB-YHYXMXQVSA-N 267.328 3.765 30 20 CHED N#Cc1cc(Cl)ccc1N[C@@H]1CCO[C@H](C2CC2)C1 160346593 XZEIJEQIZXVXMI-HIFRSBDPSA-N 276.767 3.581 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2cccc(F)c2)c1C 160686825 IAMLEIGVAZGCDU-CMDGGOBGSA-N 286.350 3.945 30 20 CHED Cn1cccc1C(=O)CSc1ccc(C#N)cc1Cl 163335288 WMOULPRIHQPZRZ-UHFFFAOYSA-N 290.775 3.525 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(F)cc(C(F)(F)F)c1 155123277 YGWYKIJPIUIPKS-UHFFFAOYSA-N 289.272 3.883 30 20 CHED C=CC[C@H](C)NC(=O)c1cncc(-c2cccc(C)c2)c1 152147378 QCMFHWCGGWTKDQ-AWEZNQCLSA-N 280.371 3.751 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(COc2cccc(F)c2)c1 154033006 FOUCCRDTOKNXFB-CYBMUJFWSA-N 299.345 3.709 30 20 CHED C#Cc1ccc(CNCc2ccc(CC)s2)cc1 809605623 LPNBUGZMXNFPFQ-UHFFFAOYSA-N 255.386 3.582 30 20 CHED C#Cc1cccc(NC(=O)Cc2cccc(Cl)c2F)c1 810014306 YRFRMFLTFHJUPP-UHFFFAOYSA-N 287.721 3.642 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(N)cc1 841300636 YIFFCHLPKAVARP-UHFFFAOYSA-N 261.369 3.527 30 20 CHED N#Cc1ccc(NC2CCN(C3CCC3)CC2)c(Cl)c1 894108727 VIYUQTSWJAPVNV-UHFFFAOYSA-N 289.810 3.640 30 20 CHED N#Cc1ccc(NCc2ccc(OC(F)F)cc2)cc1 19950698 KSXRTOLJPPKTQX-UHFFFAOYSA-N 274.270 3.772 30 20 CHED N#Cc1cccc(CNc2cccc3cnccc23)c1 35038641 PICWKRBXHYSALQ-UHFFFAOYSA-N 259.312 3.719 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc(C)c1F 161567216 XLWHRVXZNGPRPW-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1cnc([C@@H](C)Nc2ncc(C#N)cc2Cl)s1 267376223 KPZMFGFEPFVLDB-MRVPVSSYSA-N 278.768 3.545 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)C1CCC(F)(F)CC1 287072074 VURMZXFBBPPNID-UHFFFAOYSA-N 282.309 3.707 30 20 CHED CS[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 294455671 SUEJMPXFUYDQMS-LLVKDONJSA-N 286.322 3.519 30 20 CHED N#Cc1ccccc1COc1cnc2ccccc2c1 187889472 KBOLYILBOXZILZ-UHFFFAOYSA-N 260.296 3.685 30 20 CHED C=CCOc1ccc(CN[C@@H](C)C2CCSCC2)cc1 569014638 IFSUBLKJEMGFNB-AWEZNQCLSA-N 291.460 3.873 30 20 CHED C[C@@H]1CC[C@@H](C)[C@H](NCc2ccc(C#N)c(F)c2)C1 404837877 LGYLDQIOQIFQNV-XHBSWPGZSA-N 260.356 3.612 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(C3CCC3)c2)C1 564765459 XKGSEUGJRMLGQX-UHFFFAOYSA-N 268.360 3.832 30 20 CHED C=C(CC)CN[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 313487593 GFASBTVODITGAO-AWEZNQCLSA-N 296.455 3.578 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccccc1O 473381967 ZMBLAGSHDDGWQY-UHFFFAOYSA-N 295.382 3.540 30 20 CHED N#Cc1cccc(N2CCC[C@@H](C3CCCCC3)C2)n1 708373733 JOBGSLXKIQGHBG-OAHLLOKOSA-N 269.392 3.750 30 20 CHED C=C(C)CCNCc1c(C)nn(-c2ccccc2)c1C 387470507 TUJXXDZYIWWAAI-UHFFFAOYSA-N 269.392 3.545 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc(N(C)C)cc1 7586616 RTGHYGDHFILWNO-JLHYYAGUSA-N 281.355 3.657 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 113736044 YQTHWDQYXCNVRX-LBPRGKRZSA-N 272.348 3.953 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1cc(C)cc(C)c1 116957274 FFNUQQNIJHFASU-KGLIPLIRSA-N 260.381 3.628 30 20 CHED CCCCCN(C(=O)c1cc(C#N)c[nH]1)[C@H](C)CCC 177771456 YBYRTODMPFONEM-CYBMUJFWSA-N 275.396 3.707 30 20 CHED CC[C@@H](C)CN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 111708874 VABWRRYBRMNOBF-SNVBAGLBSA-N 279.771 3.721 30 20 CHED C[C@H](NCCSCc1ccccc1C#N)c1ccco1 177822461 RTVIERVBLLYRFT-ZDUSSCGKSA-N 286.400 3.735 30 20 CHED N#Cc1ccc(CCC(=O)Nc2ccccc2Cl)cc1 10404483 NTRKZQOSUKTGFM-UHFFFAOYSA-N 284.746 3.783 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)cc2)c2ccccc2n1 22264209 ORRAPQXCFICWRH-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2COc2ccccc2)c1 112984463 ZARUDYMJIUUWAU-SFHVURJKSA-N 292.382 3.602 30 20 CHED CCCCO[C@@H]1C[C@@H](/N=C/c2ccccc2O)C1(C)C 176414126 UVDKDDDNQJTAQQ-SUBKYJBBSA-N 275.392 3.795 30 20 CHED CCOC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 178808931 ANVDTXMQKQDAJS-UHFFFAOYSA-N 298.308 3.582 30 20 CHED C=C(C)CNCc1ccc(Oc2cccnc2)c(C)c1 119657060 RVYKFWBQGYBXQQ-UHFFFAOYSA-N 268.360 3.848 30 20 CHED Cc1ccccc1[C@H](C)C(=O)O[C@@H](C#N)C(C)(C)C 1343174566 NDRJNZMSIKWIIW-JSGCOSHPSA-N 259.349 3.580 30 20 CHED C=C(C)CN(C)c1c(C#N)cnc2ccc(Cl)cc12 302062767 SLGXDPMFTXOGOJ-UHFFFAOYSA-N 271.751 3.772 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(c2cc(C#N)cc(Cl)n2)C1 1348084295 NSQBUDZTIDOUDP-SMDDNHRTSA-N 298.777 3.589 30 20 CHED N#Cc1cccc(Nc2cnn(-c3ccccc3Cl)c2)n1 301842455 JUOOCOHUHIKYEH-UHFFFAOYSA-N 295.733 3.536 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCc3ccccc32)s1 176944213 MBLBLYFQGVVBMG-CQSZACIVSA-N 282.412 3.829 30 20 CHED N#Cc1cccc(C#N)c1NCCCOC1CCCCC1 302479392 VYKBDCZRYKRJHE-UHFFFAOYSA-N 283.375 3.581 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 301247854 LSPMUXPYZHFMFT-GXFFZTMASA-N 298.308 3.581 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cnn(C(C)C)c1 179617141 NPDWKRPEULJCON-UHFFFAOYSA-N 294.402 3.524 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2coc3ccc(Cl)cc23)C1 1344687766 UYXYEZNPSWRYJW-GXSJLCMTSA-N 289.718 3.935 30 20 CHED C=C(CC(C)C)C(=O)NC[C@@H]1CCCCC1(F)F 1347016776 RBSRQYALPZPDHL-LBPRGKRZSA-N 259.340 3.530 30 20 CHED Cc1ccc(CN(CCC#N)Cc2ccco2)s1 33910987 CKHNUMFJUQGRKL-UHFFFAOYSA-N 260.362 3.565 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(C)ccc1Cl 124545584 JWRZATNXVLJEOH-NSHDSACASA-N 267.756 3.568 30 20 CHED Cc1ccc(C(C)(C)CC(=O)N[C@@H](C#N)C(C)(C)C)cc1 122305614 ASLJCBGTVYVLLX-HNNXBMFYSA-N 286.419 3.717 30 20 CHED Cc1cc2occ(C(=O)OCC3(C#N)CCC3)c2cc1C 187554044 FCCXZGSDQHASFR-UHFFFAOYSA-N 283.327 3.900 30 20 CHED COc1ccccc1N[C@H](C)c1ccc(OCC#N)cc1 37189130 ANUAAQWBXJHWGW-CYBMUJFWSA-N 282.343 3.771 30 20 CHED CC#CCNc1ccccc1C(=O)N(C)C1CCCCC1 182303467 PIWAZMHZBGXXKT-UHFFFAOYSA-N 284.403 3.527 30 20 CHED C=C(C)CN(C)C(=O)c1sc(C)nc1-c1ccccc1 180441204 SNIGAFWEJJBNES-UHFFFAOYSA-N 286.400 3.767 30 20 CHED CC(C)(C(=O)Nc1ccc(CC#N)cc1)c1cccc(F)c1 128504361 PMLSJQGUAUIDGP-UHFFFAOYSA-N 296.345 3.808 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 189372707 ZNSYTWIWLLUMDR-QGZVFWFLSA-N 281.355 3.994 30 20 CHED CCCC[C@H](COC)Nc1cccc(OCCCC#N)c1 129939439 XVAZKKQKPVVQIC-MRXNPFEDSA-N 290.407 3.986 30 20 CHED C=C(C)COc1cccc(NCc2ccncc2)c1 129272919 JYPLMEWPILVOPA-UHFFFAOYSA-N 254.333 3.649 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2CCc2ccccc2)o1 180151216 ZZBFTFQBWXBRJI-INIZCTEOSA-N 280.371 3.748 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2C[C@]2(C)C(C)C)s1 186694158 PQHQSRFUPQGNST-IUODEOHRSA-N 276.405 3.803 30 20 CHED C=CCCCCNS(=O)(=O)c1csc2ccccc12 509925020 CQDIPDVHFPCDIX-UHFFFAOYSA-N 295.429 3.536 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(O)c(F)c2)cnn1C(C)C 188889735 MONOZQUFGJUVGP-GQCTYLIASA-N 288.322 3.513 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccccc1F 77380295 ZZCSQRNMQREVIL-UHFFFAOYSA-N 285.322 3.506 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(C1CC1)C1CC1 413985635 KLPWGSFCWGIBDC-QGZVFWFLSA-N 283.415 3.726 30 20 CHED C#C[C@H](C)NC(=O)c1ccccc1Sc1ccccc1 185305956 BNFDWCHZGGWHKC-ZDUSSCGKSA-N 281.380 3.589 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(CC)CC1(C#N)CC1 501537495 CQLWEMWJLHQHAU-QGZVFWFLSA-N 270.420 3.942 30 20 CHED N#Cc1c(NC(=O)C2CC2)sc2c1-c1ccccc1CC2 79058125 DMHJFFMCSADSMZ-UHFFFAOYSA-N 294.379 3.734 30 20 CHED C=CCC[C@H](N[C@H]1C[C@H](OC)C12CCC2)c1ccco1 414197355 VQIYJFUSPNZOAE-BPUTZDHNSA-N 275.392 3.834 30 20 CHED CCN(CC#N)[C@H]1CCCc2ccc(Br)cc21 411210385 DXDHONNDMWSORR-AWEZNQCLSA-N 293.208 3.672 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CC[C@](C)(CC)C1 509009342 ASVVGSKZYAKQQB-BBRMVZONSA-N 276.428 3.604 30 20 CHED CC(C)(C)CCCNC(=O)Nc1ccc(CC#N)cc1 157872368 WEEWJEDTYXWGDI-UHFFFAOYSA-N 273.380 3.700 30 20 CHED C[C@@H]1CC(C(=O)N2CCc3ccc(C#N)cc32)C[C@@H](C)C1 503351799 WWCVTJNBVOEWPY-STQMWFEESA-N 282.387 3.520 30 20 CHED Cc1ccc(/C=C\c2nc(S[C@H](C)CCC#N)n[nH]2)o1 412985744 GGPVZNBDTYZNLD-SKVAFPRGSA-N 288.376 3.661 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(Cl)cc1Cl 47979337 YIADIJKABNFGCI-SECBINFHSA-N 257.164 3.585 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)NCC2(C#N)CCC2)c1 416351470 MWXVAPCMRKTVOC-HNNXBMFYSA-N 298.430 3.799 30 20 CHED Cc1cc2cc(C(=O)N(CCC#N)C(C)C)oc2cc1C 79866889 QATJTCRHYJXOBT-UHFFFAOYSA-N 284.359 3.814 30 20 CHED COCCOc1ccc(C#N)cc1N[C@@H](C)c1ccccc1 181342469 SVHQDLBSPCDKLV-AWEZNQCLSA-N 296.370 3.757 30 20 CHED Cc1cc(C)cc(CN(C)Cc2ccc(C#N)cc2)c1 46856671 NCYGHLVUISHAAZ-UHFFFAOYSA-N 264.372 3.807 30 20 CHED N#Cc1ccc(Oc2ccc(OC[C@H]3CCCO3)cc2)cc1 505531625 DWSLOQZFVBSYPR-GOSISDBHSA-N 295.338 3.908 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1cccc(C)c1 182615810 RWNJSCFGUCGROB-OAHLLOKOSA-N 259.393 3.789 30 20 CHED C#CCCCNCc1cc(Cl)ccc1Br 173840900 CEGVYEWPFGKZHK-UHFFFAOYSA-N 286.600 3.606 30 20 CHED CC(C)(C)c1ccncc1CNCc1cccc(C#N)c1 414496556 IQGMUZIBRPFFAR-UHFFFAOYSA-N 279.387 3.541 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@](C)(C=C)CC 413979176 AQIBASIJHPCUCO-FUHWJXTLSA-N 271.404 3.892 30 20 CHED N#CCc1ccc(CSCC2(C#N)CCC2)cc1 419591115 WZRDNQMVWIIMLY-UHFFFAOYSA-N 256.374 3.680 30 20 CHED CC[C@@H]1OCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 413447122 IKAUWEBWTVJMFM-OLZOCXBDSA-N 284.281 3.556 30 20 CHED CC[C@@H]1CCN(Cc2cc(C#N)ccc2Br)C1 191806985 KPXBHTYSJMITLX-LLVKDONJSA-N 293.208 3.553 30 20 CHED CC[C@@H](C)CN(C)c1ccc(C#N)c(Br)c1 228177775 USZCBCVCPVQPPK-SNVBAGLBSA-N 281.197 3.803 30 20 CHED CCCCCOCC(=O)Nc1ccc(C(C)(C)C#N)cc1 194800883 CLNZACWADKKIMD-UHFFFAOYSA-N 288.391 3.633 30 20 CHED CC[C@H]1CCCN(C(O)=Nc2nccn2-c2ccccc2)C1 328727900 DMTZRJCVKGAMJQ-AWEZNQCLSA-N 298.390 3.540 30 20 CHED CC(C)(CCC#N)CNc1cccc(N2CCCC2=O)c1 135157361 IYLJDCYUZQDSTQ-UHFFFAOYSA-N 285.391 3.555 30 20 CHED N#Cc1cccc(NC(=O)CCCc2ccc(F)cc2)c1 40644641 DXYFLWNXJMWKCH-UHFFFAOYSA-N 282.318 3.659 30 20 CHED C=CCC[C@H](CCC)NC1CCC(N(C)C)CC1 421377587 TXKKGMDTWNPURW-FHERZECASA-N 252.446 3.584 30 20 CHED CCCN(CC#N)Cc1ccc(Cl)cc1Cl 44373561 CLLNQSPSSUOGTN-UHFFFAOYSA-N 257.164 3.729 30 20 CHED CN(CCCOc1ccccc1)Cc1ccc(C#N)c(F)c1 191895185 LWGIDVVVHORCCZ-UHFFFAOYSA-N 298.361 3.598 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(Br)c1 136250400 GEVXMMHGLFJYSD-CYBMUJFWSA-N 295.180 3.636 30 20 CHED CCOc1cc(NC(=O)C(C#N)(CC)CC)ccc1C 528383529 RUMIXKCUXGAQJF-UHFFFAOYSA-N 274.364 3.662 30 20 CHED O/C(=N/CC1CCCCC1)c1cnc([C@H]2CCCO2)s1 328899448 YXRZGHBWWDUMDV-GFCCVEGCSA-N 294.420 3.880 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(OC)c1 194891467 JCUCFWGZZRVZNI-AWEZNQCLSA-N 267.756 3.889 30 20 CHED COc1cc(C#N)ccc1CN(C#N)c1ccccc1Cl 429779442 ADCRUSNCZZCVHR-UHFFFAOYSA-N 297.745 3.708 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1ccn(C(C)C)n1 421198282 LEXLZBWZECQHJW-UHFFFAOYSA-N 289.766 3.877 30 20 CHED C#CCCCC(=O)Nc1cccc(CCC(F)(F)F)c1 192149483 ZPDHSLQWIPQTCS-UHFFFAOYSA-N 283.293 3.924 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl 424667230 PAYSKYXDMJLAQX-XUJVJEKNSA-N 290.794 3.847 30 20 CHED CCc1nc(C)c(/C(O)=N/C(C)(C)c2nccs2)s1 330789379 BEJAHZBAWTWRGN-UHFFFAOYSA-N 295.433 3.710 30 20 CHED CC(=O)c1ccc(/C(O)=N/[C@@H]2CCCCC2(C)C)cc1O 331359185 WDWUPROLCRAEHD-OAHLLOKOSA-N 289.375 3.868 30 20 CHED N#CCCN[C@@H]1CCc2ccc(-c3ccccc3)cc21 516277828 LOHRIOJXEQPYDE-GOSISDBHSA-N 262.356 3.844 30 20 CHED CC1CCC(OCC(O)=Nc2cccc3c2OCO3)CC1 330036964 YTMOHYZOSJCNBY-UHFFFAOYSA-N 291.347 3.599 30 20 CHED CN(C(=O)CC1(C)CCCCC1)c1ccc(C#N)cc1 337967604 ICQDHCZMTFWVTC-UHFFFAOYSA-N 270.376 3.882 30 20 CHED CCC1CCC(N/C(O)=N/Cc2sc(C)nc2C)CC1 330936999 TXEOGIQFNODTDW-UHFFFAOYSA-N 295.452 3.732 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)CC(C)(C)C#N 336388955 ITYPARIVRONVJJ-GOEBONIOSA-N 284.403 3.721 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(SC)CCC1 195128649 BXFQOJKRZYNOSB-UHFFFAOYSA-N 284.469 3.660 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](CC#N)c1ccccc1 331019753 JIIIHVFGBJEGSR-PVAVHDDUSA-N 284.403 3.769 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ncc(C(C)C)s1 424688700 KHWRJWLMOAAZRR-UHFFFAOYSA-N 252.383 3.807 30 20 CHED CCc1ccc(N/C(O)=N/[C@H]2CCOC(C)(C)C2)cc1C 330603525 KEZVRWDZUCTBQY-HNNXBMFYSA-N 290.407 3.841 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 533716540 OEMRBMSEOGWUDS-NSHDSACASA-N 274.339 3.852 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1cccc(CC#N)c1 510568465 AMPQZCGIIPFXLA-HOCLYGCPSA-N 284.403 3.699 30 20 CHED N#CCc1cccc(C(=O)N2CCCC23CCCCC3)c1 334194901 JGJOWLKVRJPDTR-UHFFFAOYSA-N 282.387 3.692 30 20 CHED CC[C@H](CC(=O)Nc1ccc(C#N)c(C#N)c1C)C(C)C 421564422 ZEBOEGQLEYLKPX-CYBMUJFWSA-N 283.375 3.749 30 20 CHED C=C(C)CN(C)c1ncc(Br)cc1Cl 234292512 YILVNBPTWYBSJY-UHFFFAOYSA-N 275.577 3.510 30 20 CHED CCC(CC)N(CC(C)C)C[C@H](O)c1ccc(C#N)cc1 93309039 NJLCSSVFBACVOS-SFHVURJKSA-N 288.435 3.738 30 20 CHED C=CCC[C@H](C)NCc1ccccc1Br 96034300 LWLCDOIUBAAJDG-NSHDSACASA-N 268.198 3.893 30 20 CHED CCSc1cccc(N=C(O)N[C@H]2CCC[C@H]2C#N)c1 330891213 JVLJEUHZIIDYBQ-FZMZJTMJSA-N 289.404 3.626 30 20 CHED CC[C@@H](CNc1cnccc1C#N)Oc1cccc(C)c1 91733898 RLIBCDTXOSNRPP-HNNXBMFYSA-N 281.359 3.531 30 20 CHED OC(=Nc1cccc(-c2ncco2)c1)N1CC[C@H]2CCC[C@@H]21 330247164 FLKOLOOWIHALMI-DOMZBBRYSA-N 297.358 3.762 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)C1CCCCC1 436306699 IXKWBDZHTOEXHG-IKGGRYGDSA-N 265.441 3.916 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 437986328 NUOCBJGCFDKJQR-GHMZBOCLSA-N 277.343 3.644 30 20 CHED Cc1cccc(C(=O)N[C@H](CCC#N)c2ccccc2)c1F 439677028 ZNVNVLRNLPQQLA-MRXNPFEDSA-N 296.345 3.909 30 20 CHED C=CCc1cc(CN2CCC(C=C)CC2)cc(OC)c1O 93359212 YELWCFIQJUPCIX-UHFFFAOYSA-N 287.403 3.527 30 20 CHED CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccc(C#N)cc1 335195693 UBHAUWJZKFEEBB-MJGOQNOKSA-N 290.366 3.715 30 20 CHED Cc1cc(C)c(C#N)c(NCC[C@H]2C[C@H](C)O[C@H](C)C2)n1 338485194 QYFWLRYCYOGRNN-QDMKHBRRSA-N 287.407 3.576 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1ccccc1F)c1ccc(C#N)cc1 343280185 QOSZHDPRQSZHIX-STQMWFEESA-N 296.345 3.678 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CSC1CCC(C)(C)CC1 344494833 HCPFLRSAVBWZLF-CYBMUJFWSA-N 296.480 3.697 30 20 CHED CCN(CCCNc1nc(C)ccc1C#N)c1ccccc1 346841621 UPRZMSVRHCPAKT-UHFFFAOYSA-N 294.402 3.590 30 20 CHED CC(=O)[C@@H](Cc1ccccc1F)Sc1cccc(C#N)c1 436185224 NCETXIKNZHRBCM-QGZVFWFLSA-N 299.370 3.990 30 20 CHED C=CCC[C@@H](CCC)N[C@H]1Cc2cccc(O)c2C1 433042547 ZBIMIFCZJGNSGF-CABCVRRESA-N 259.393 3.584 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 431749914 MJRSOAHJYHFLRE-SQWLQELKSA-N 297.402 3.957 30 20 CHED CC[C@@H](CC(=O)N(C)c1ccc(C#N)cc1F)C(C)C 609216943 XLKNGKYXAFZHJU-ZDUSSCGKSA-N 276.355 3.732 30 20 CHED CCc1c(NCCC(C)(C)C#N)cnn1-c1ccccc1 345338650 CYNCHIQFXJLVLU-UHFFFAOYSA-N 282.391 3.786 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1cccc(Cl)c1 249875514 LMRRTLXEKXYFLW-VXGBXAGGSA-N 250.773 3.883 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H](C)C(C)(F)F)cc1C#N 343220437 SGEZRYXUSCEMEC-JTQLQIEISA-N 296.317 3.575 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1cc(C#N)ccc1C 528304742 BTZRUFAZLHJMFJ-HNNXBMFYSA-N 292.382 3.992 30 20 CHED CCc1ccc(C2=CCN(CC3(C#N)CC3)CC2)cc1 343580398 IZICPNCVHYJNCT-UHFFFAOYSA-N 266.388 3.642 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1csc2ccccc12 435735261 LCRMGUYAADSMBY-SUMWQHHRSA-N 287.428 3.972 30 20 CHED Cc1ccnc(Oc2cc(NC(=O)[C@@H](C)C#N)ccc2C)c1 346244646 CDVJRFWXUDWVPM-ZDUSSCGKSA-N 295.342 3.589 30 20 CHED Cc1cccc2sc(C(=O)NC[C@@H](C)C#N)c(Cl)c12 609524717 YWXJIOVRYKSRPQ-QMMMGPOBSA-N 292.791 3.753 30 20 CHED C=CCC[C@@H](NC(=O)Nc1ccnn1CC)c1ccccc1 343502120 BXESUKMFFWPDGI-OAHLLOKOSA-N 298.390 3.732 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC[C@@H](C)C1 345268491 BSIZDELAUZIMEG-UKRRQHHQSA-N 264.413 3.601 30 20 CHED N#Cc1ccc(Cl)cc1NCCN1Cc2ccccc2C1 609892193 PRXFOFLSYMKWRF-UHFFFAOYSA-N 297.789 3.639 30 20 CHED C[C@H]1CCCN([C@@H](C)CNc2cccc(Cl)c2C#N)C1 603857274 HKQBHSSBJAMOJF-STQMWFEESA-N 291.826 3.744 30 20 CHED N#Cc1ccc(Sc2c(C#N)cccc2C#N)c(F)c1 436394721 VYQOYDLQAFAHGV-UHFFFAOYSA-N 279.299 3.592 30 20 CHED COc1cc(CSCC2(C#N)CC2)ccc1SC 344479392 DEEIAZZXJHRISO-UHFFFAOYSA-N 279.430 3.954 30 20 CHED C=CC[C@H](CO)CN[C@@H](CCC)c1ccc(Cl)cc1 540393442 JTNJDIDOCWRLHW-BBRMVZONSA-N 281.827 3.955 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(F)c(C(F)(F)F)cc1F 347061310 UFLJADCZIQCBQE-QMMMGPOBSA-N 292.251 3.718 30 20 CHED CC(C)(C#N)CCSCc1ncccc1Cl 600632129 PERMWTMVXAGJKG-UHFFFAOYSA-N 254.786 3.908 30 20 CHED CC1(C)CCCN(CCOC2CCCCCC2)[C@@H]1C#N 444729284 GRSAITXFWJRAGU-MRXNPFEDSA-N 278.440 3.740 30 20 CHED CC[C@@H](N=c1ccc(Cl)c(C#N)[nH]1)c1ccccc1 609449174 ZSSSWWBFMKNZPV-CYBMUJFWSA-N 271.751 3.592 30 20 CHED CCCN(C)c1ccccc1NC(=O)c1cc(C#N)cs1 600754505 AVPKFIXKGCEIIP-UHFFFAOYSA-N 299.399 3.718 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)c1ccc(F)cc1 449133334 YAFAATRWYVAGMB-NVPAJSRCSA-N 274.383 3.991 30 20 CHED C=CCCN1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 532244512 XBCZYDXBETYOIB-RTBURBONSA-N 284.447 3.549 30 20 CHED COc1cc(C#N)ccc1OCCCCOC(C)(C)C 352564200 ZPUXKWSIEDVSHY-UHFFFAOYSA-N 277.364 3.541 30 20 CHED COc1ccc2c(c1)C(C)(C)C[C@H]2NCCCCC#N 353331325 PEXQTSNTTXRSCI-MRXNPFEDSA-N 272.392 3.701 30 20 CHED C=CC[C@@H](CO)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 354022587 QQFAMUGKYKQUBY-RDTXWAMCSA-N 289.394 3.536 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(CCC#N)Cc1cccnc1 355254170 CKFAOFAZMJJLDG-IAGOWNOFSA-N 299.418 3.540 30 20 CHED Cc1cccc(O)c1NC(=O)C[C@@H](CC#N)c1ccccc1 356611416 BYQFDUUUTWWIAP-OAHLLOKOSA-N 294.354 3.727 30 20 CHED C=C(C)CCN[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 449472849 GICYVLUCSNOCJN-KGLIPLIRSA-N 277.408 3.752 30 20 CHED N#CCCN[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 443071308 PVDGKMSSKPNYBP-JSGCOSHPSA-N 282.309 3.845 30 20 CHED CC#CCN(C)C(=O)Nc1cc(Cl)ccc1SC 454588681 GOHCFDPVKHQGKI-UHFFFAOYSA-N 282.796 3.549 30 20 CHED C=CCC1(C(=O)N2CCC=C(F)C2)CCCCC1 450379741 PBJBQRMULXPGTK-UHFFFAOYSA-N 251.345 3.599 30 20 CHED CCO[C@@H](c1ccccc1)c1noc(C2(C#N)CCCC2)n1 445778238 VTWZHMCXILJZEF-AWEZNQCLSA-N 297.358 3.531 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)C#N)Cc1ccc(Cl)cc1 611696767 ISPLBYLFEDJCTR-GFCCVEGCSA-N 292.810 3.575 30 20 CHED N#Cc1ccc(/C=C/c2nc(C3CCCC3)no2)cc1 264662648 UZYWVBDXROKLPN-MDZDMXLPSA-N 265.316 3.769 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(CC#N)c2ccccc2)C1 356105367 VYINLGHWBXGQLJ-CABCVRRESA-N 270.376 3.760 30 20 CHED C=CCCCCNC(=O)C[C@@H](CC#N)c1ccccc1 356800445 XCOGFNXAZKDOQJ-MRXNPFEDSA-N 270.376 3.546 30 20 CHED C=CCN(CCC#N)Cc1cccc2c(OC)cccc12 449336383 NOLWACBYJLCTDC-UHFFFAOYSA-N 280.371 3.750 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 353664991 ZVSBVDHGSAVFIC-ZIAGYGMSSA-N 287.407 3.611 30 20 CHED C=CCn1c(CCCC)nnc1N(C)[C@@H](C)c1ccco1 350622441 ADAQRRDGZJOYFG-ZDUSSCGKSA-N 288.395 3.597 30 20 CHED C[C@@H](N[C@H]1CCCC1(C)C)c1ccc(C#N)c(F)c1 537406962 LBXUJJCKFXWKKH-ABAIWWIYSA-N 260.356 3.927 30 20 CHED CN(C(=O)c1cc2cccc(F)c2o1)c1ccc(C#N)cc1 610984546 XFWZEYVXAJYZGN-UHFFFAOYSA-N 294.285 3.720 30 20 CHED N#Cc1cccc(S[C@@H](C#N)Cc2ccccc2)c1 610722494 MEMRIOPVTXJGDS-MRXNPFEDSA-N 264.353 3.785 30 20 CHED Cc1ccccc1CCCN1CCC[C@](C)(C#N)C1 612167326 LSPGRGVUOAMKLC-QGZVFWFLSA-N 256.393 3.553 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)cs1 531208861 AAYZUFWOMWLBNG-OLZOCXBDSA-N 276.405 3.708 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc2c(cc1Cl)CCC2 530020852 GJGDIBZWQNWZIY-HNNXBMFYSA-N 276.767 3.707 30 20 CHED C[C@H]1CCCC[C@H]1N1CCC(NCC(C)(C)CC#N)CC1 459734693 SOGRJWJYXUXUOT-DOTOQJQBSA-N 291.483 3.559 30 20 CHED CC(C)[C@H](C)SCc1nnc(-c2cccc(C#N)c2)o1 361413081 AOONXCXOHJLWFL-NSHDSACASA-N 287.388 3.886 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc2ccccc2[nH]1 619073239 PLEYNYIWPZXCCE-UHFFFAOYSA-N 269.392 3.930 30 20 CHED C=C(CC)CN1CCC[C@H]1CC(=O)c1cccs1 539117664 YEMGMXNEODSGSS-ZDUSSCGKSA-N 263.406 3.752 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 451680963 MZJWUQCCDJISQG-MNEFBYGVSA-N 296.414 3.507 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2ccc(Cl)cc2Cl)no1 453181284 RLUSCYIQUWOBKQ-WPPNPWJKSA-N 294.141 3.845 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1 617787022 GAEVKDKIFXIZBF-AWEZNQCLSA-N 282.387 3.905 30 20 CHED C=C(C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 450720446 YRNWJANVYJIVQS-UHFFFAOYSA-N 272.251 3.574 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 278950195 OKKPHAVHMKFLGP-NVXWUHKLSA-N 283.415 3.749 30 20 CHED CN(Cc1cc(C#N)n(C)c1)[C@H]1CCC[C@@H]1c1ccccc1 459679902 QEZSKNTVNWBMFH-MOPGFXCFSA-N 293.414 3.665 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(Cc2ccc(C(C)(C)C)cc2)no1 453054707 BNBNEGAODRGHJU-XIKOKIGWSA-N 295.386 3.759 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CCCC1(F)F)c1ccccc1 452801737 DZWXYDXLGZOEBG-GJZGRUSLSA-N 293.357 3.898 30 20 CHED Cc1cc(C#N)cc(NCc2noc(C3CCCCC3)n2)c1 453136462 BVNRYDISHQWRFJ-UHFFFAOYSA-N 296.374 3.910 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 456281054 NQIXTDLKSWSPNL-WMZOPIPTSA-N 297.398 3.512 30 20 CHED C=CCN(C(=O)Nc1cc(F)ccc1Cl)C1CC1 271436546 BKUFVMUJFXJACC-UHFFFAOYSA-N 268.719 3.661 30 20 CHED CC#CCCNC(=O)CCc1ccc(-c2ccccc2F)o1 544581229 HUYLEBIXXGFUBM-UHFFFAOYSA-N 299.345 3.548 30 20 CHED Cc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1OC(C)C 278373632 CEGIEMKDHRDQSN-ZDUSSCGKSA-N 289.379 3.548 30 20 CHED CC(C)(C#N)CCN1CCC(COc2ccccc2)CC1 272060231 WLQCIYDFZQAHHG-UHFFFAOYSA-N 286.419 3.717 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCCCC3)nc2)C1 278875477 XISGQNAFCPRBCC-CABCVRRESA-N 284.407 3.566 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCC(C)(C)C1 466329157 YGLJQVPFSVEREA-STQMWFEESA-N 252.402 3.561 30 20 CHED C=CCCCCNC(=O)CCc1cccc(Cl)c1 546017594 CDXKDQNOLHALDH-UHFFFAOYSA-N 265.784 3.745 30 20 CHED COc1ccccc1CCCN[C@H](C)c1ccc(C#N)cc1 548936862 PILRTLQHWYBFJI-OAHLLOKOSA-N 294.398 3.850 30 20 CHED CC1(C)CN(C[C@@H](C#N)CCC#N)[C@@H]1c1cccs1 286936731 LOXSZFDQEAGETO-TZMCWYRMSA-N 273.405 3.575 30 20 CHED CC#CCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 462479316 WWIOQWWHHNXESW-CQSZACIVSA-N 281.321 3.908 30 20 CHED CCC1(CNC(=O)c2cc(C#N)ccc2Cl)CCC1 287392480 ITJLTJPLTMVJPE-UHFFFAOYSA-N 276.767 3.522 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CC[C@H](F)C2)c1 558030148 WDAUPVJQGXDPOW-VHSXEESVSA-N 272.245 3.880 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(F)cc1OCC 466379169 VVONUQYDQGUMFS-LBPRGKRZSA-N 280.343 3.701 30 20 CHED Cc1cc(N2CCC(c3ccccc3F)CC2)cc(C#N)n1 553433541 HFEBUQLYRBHZSN-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C=CC[C@@H](C(=O)NC[C@H]1CCCSC1)c1ccccc1 288351900 LXYQYALMGRCDOJ-GDBMZVCRSA-N 289.444 3.606 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(C)cc(C)n1 462730120 UOUKCRWUUKXESN-LBPRGKRZSA-N 261.369 3.565 30 20 CHED C[C@]1(CNc2ccc(Cl)cc2C#N)CCO[C@@H]1C1CC1 466629316 AADWIGIBMWKLDT-HZPDHXFCSA-N 290.794 3.829 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cc2ccccc2[nH]1 557654564 YKYUWZBMPHOVHN-ZDUSSCGKSA-N 285.391 3.712 30 20 CHED C=CCCCCCCNC(=O)c1c(F)cccc1OC 805220796 FZOAUJXRPVYHHJ-UHFFFAOYSA-N 279.355 3.701 30 20 CHED C=CCCCCCCNc1cc(N)c([N+](=O)[O-])c(C#N)c1 804851251 RCRMPFSVLDXLGM-UHFFFAOYSA-N 288.351 3.597 30 20 CHED C[C@H]1C/C(=C\c2ncc(Cl)n2C)C(=O)c2ccccc21 296020918 UMLZMYVWSBNTDF-NGPGYTDTSA-N 286.762 3.847 30 20 CHED C[C@@H](C#N)OCCSCc1ccc(Cl)s1 802749364 AWCKGBURKFDUAJ-QMMMGPOBSA-N 261.799 3.563 30 20 CHED Cc1ccncc1CCC=NNc1ccc([N+](=O)[O-])cc1C 807988907 AIDHCBJUKRIFSQ-UHFFFAOYSA-N 298.346 3.637 30 20 CHED C#CCCCCC(=O)Nc1csc(-c2ccccc2)n1 804824976 TXPWUICIBZFLRG-UHFFFAOYSA-N 284.384 3.942 30 20 CHED C=CCCCCCCNC(=O)N(C)CC1CCCC1 806003515 DYSVYHONDZBJSU-UHFFFAOYSA-N 266.429 3.955 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=CC1CCCCC1 807990479 DGJOFSOHLZJZGS-UHFFFAOYSA-N 261.325 3.881 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)COCCCCC 470635157 IKIXSQSPVQSARX-UHFFFAOYSA-N 289.419 3.798 30 20 CHED C=C(C)CCNc1cc2c(cc1Br)OCCO2 809187832 QAELNPNLVAETFC-UHFFFAOYSA-N 298.180 3.598 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 701309265 QPQXXCAEPMPXBC-MUBLQREKSA-N 297.185 3.815 30 20 CHED CCOc1ccccc1/C=C1/Cc2nc(Cl)ccc2C1=O 806577199 AJOMCZHHXOMAMD-XFXZXTDPSA-N 299.757 3.956 30 20 CHED C#Cc1ccc(CNc2nn(-c3ccccc3)cc2C)cc1 809633944 NSLXJEOTLIVYKU-UHFFFAOYSA-N 287.366 3.774 30 20 CHED C=CCOc1ccccc1-c1nc([C@](C)(CC)OC)no1 290573531 VKTNIBOCPFTVJV-INIZCTEOSA-N 288.347 3.573 30 20 CHED C=C[C@H](C)NC(=O)N1CC=C(c2cccc(Cl)c2)CC1 474666646 GKDBDPXKEYNYGD-LBPRGKRZSA-N 290.794 3.713 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)C(C)(F)F 293109707 GVCXVZPESJJQMA-JTQLQIEISA-N 295.333 3.610 30 20 CHED C=CCCCCCCNC(=O)C1(OCC)CCCC1 805217634 HBENEDFOKBXBLR-UHFFFAOYSA-N 267.413 3.588 30 20 CHED N#CCCCC(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 294309324 VEKNHIBDDTYLPU-LBPRGKRZSA-N 296.292 3.763 30 20 CHED CC(=O)c1cc(F)ccc1OCc1ccc(CC#N)cc1 399010714 ARBKVTZWKXVXNI-UHFFFAOYSA-N 283.302 3.673 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC1(F)F 294714866 USHOXPFGBDZIJZ-ZJUUUORDSA-N 296.342 3.532 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H]1c1cccc(C)c1C 472590480 NIYUZVWPLPGDMT-AEFFLSMTSA-N 273.420 3.767 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2oc(C3CC3)nc2c1 806190621 BNVXHSAWKVXTBP-GFCCVEGCSA-N 297.358 3.629 30 20 CHED COc1ccc(/C=C2\Cc3ccccc3C2=O)c(C)c1OC 806569201 MXVRGXJFGOOZGU-XNTDXEJSSA-N 294.350 3.835 30 20 CHED CC1CCC(CC(=O)NCc2ccc(CC#N)cc2)CC1 568886203 PTUURYGSECRTMO-UHFFFAOYSA-N 284.403 3.585 30 20 CHED C[C@H](NC1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1Cl 562427270 RLVNWRROJBLGAW-UTUOFQBUSA-N 292.810 3.818 30 20 CHED C=CCCCC(=O)OCc1ccc(OC(F)F)c(F)c1 813142759 OQWBKWSJLGBBKZ-UHFFFAOYSA-N 288.265 3.827 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C 562246921 QHQXRDQTRRCENP-RDTXWAMCSA-N 279.387 3.662 30 20 CHED CSCc1cnc(C=NNc2cc(C)ccc2F)s1 814872777 XXXMEIVSVDBSBD-UHFFFAOYSA-N 295.408 3.900 30 20 CHED CCC(C=NNc1ncccc1[N+](=O)[O-])(CC)CC 814870590 JGMNWBDBBQMUDF-UHFFFAOYSA-N 264.329 3.604 30 20 CHED CCc1noc(C)c1C(C)=NNc1ccc(F)c(F)c1F 814945149 NRPJHRJECRTHQP-UHFFFAOYSA-N 297.280 3.799 30 20 CHED C=CCC(F)(F)C(=O)NC1(c2ccc(F)cc2)CCC1 815111250 UDISSUSLXMDTIE-UHFFFAOYSA-N 283.293 3.533 30 20 CHED C=C(C)[C@@H](NC1CC(C)C1)c1ccc(F)c(F)c1 480679040 USQXJFUMSLVRKP-MBRGGSNBSA-N 251.320 3.970 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc3ncccc3c1)C2 811695445 GNAIQSPIXHRCOL-RQZCQDPDSA-N 296.329 3.929 30 20 CHED CCCC[C@@H](C)N(C)C(=O)c1ccc(C#N)c(Cl)c1 579897242 KBCNIRDDIJHKLB-LLVKDONJSA-N 278.783 3.862 30 20 CHED C=CCCn1cc(CN[C@H](C)CCC2CCCCC2)nn1 657362798 IMMDWLNRSXCGDS-OAHLLOKOSA-N 290.455 3.693 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1c[nH]c2cccc(Cl)c12 816017339 AGBUCRGASKEKRE-JTQLQIEISA-N 277.751 3.872 30 20 CHED N#CCC1(CN[C@H](CC2CC2)c2ccccc2)CC1 572094880 BXULVXGAVBVWDP-MRXNPFEDSA-N 254.377 3.811 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1ccc(C)nc1C 814916561 BWWUFJDBDFIKBC-OAHLLOKOSA-N 259.397 3.591 30 20 CHED COc1ccc([C@H](CCC#N)N[C@@H]2CCC[C@H](F)C2)cc1 573801845 POBFANHGINJZGR-UXLLHSPISA-N 290.382 3.910 30 20 CHED C=CCC[C@@H](O)CN1CCC(c2ccc(Cl)cc2)CC1 481837270 JHEAKCYCGMVTCZ-QGZVFWFLSA-N 293.838 3.847 30 20 CHED C#Cc1ccccc1CC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 812978465 QVUNYDOEXJIJNH-LSDHHAIUSA-N 283.415 3.636 30 20 CHED FC(F)(F)CCN(CCC(F)(F)F)CC(F)(F)F 570474935 QMMYILRPXINADF-UHFFFAOYSA-N 291.157 3.756 30 20 CHED OC1(c2cccc(F)c2)CCC(=NOCCC2CC2)CC1 814245594 YYBGLKVBCFSODA-UHFFFAOYSA-N 291.366 3.760 30 20 CHED C=CCCn1cc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)nn1 653675850 VNEOLDFNHOLHAF-GJZGRUSLSA-N 290.455 3.501 30 20 CHED C=CC[C@H](N[C@H](C)C[C@H]1CCCCCN1)c1ccncc1 817893251 DAFZCKKIMZZJKW-NXHRZFHOSA-N 287.451 3.599 30 20 CHED CC1(C)CC(=NNc2ncccc2C(F)(F)F)C1 814801694 QBPWOOIXTQZBCO-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C#CCN(C)C(=O)N[C@H](c1ccc(CCC)cc1)C(C)C 811995371 QFIZBVAQUUXLQM-KRWDZBQOSA-N 286.419 3.611 30 20 CHED C#CCCOC(=O)c1ccccc1OCc1ccc(F)cc1 727041761 ITAKAAICQRRRGM-UHFFFAOYSA-N 298.313 3.585 30 20 CHED Cc1nc(C#N)c(NN=Cc2ccc(C3CCC3)cc2)o1 814813388 CZEICHHXBGYMCJ-UHFFFAOYSA-N 280.331 3.568 30 20 CHED C#Cc1cccc(N(C(=S)NCCCC)C(C)C)c1 728226949 QRQUECLDUVJXRS-UHFFFAOYSA-N 274.433 3.557 30 20 CHED C#Cc1ccccc1CC(=O)N1CCCC[C@@H]1[C@H](C)CC 810481743 VFDIMQZLBWMSRH-CRAIPNDOSA-N 283.415 3.638 30 20 CHED C=C(CC)CN[C@H](C)[C@@H](OC)c1ccccc1Cl 481477675 AYESOOOJJQFLIH-IUODEOHRSA-N 267.800 3.972 30 20 CHED N#Cc1ncccc1SC[C@@H]1CCC2(CCCCC2)O1 573385977 OWSUUEOZAZHTNI-ZDUSSCGKSA-N 288.416 3.927 30 20 CHED c1ccc(C(CC2CC2)=NNC[C@@H]2CCSC2)cc1 811658466 KNEKJLLCPJTDDT-AWEZNQCLSA-N 274.433 3.534 30 20 CHED C=C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 651263884 RJASPTYOHJMVES-GFCCVEGCSA-N 263.768 3.622 30 20 CHED C=CCN(C)C(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 653753191 AGHIZWGXTIMZNI-UHFFFAOYSA-N 297.320 3.772 30 20 CHED C=C1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 729256799 XVHWLHYANAVWMF-DAXSKMNVSA-N 261.752 3.532 30 20 CHED C=CCC[C@@H](Nc1cccc(N2CCNC2=O)c1C)C1CC1 494445360 QHLZCMABJQXGOX-MRXNPFEDSA-N 299.418 3.681 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccc(Cl)cc1Cl 729935838 SEGZLFNGIKAHDY-UHFFFAOYSA-N 295.173 3.928 30 20 CHED C=CC[C@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 661378586 JNHSQXLELIAZBA-AWEZNQCLSA-N 283.375 3.525 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(CN(C)C)ccc1C 900956682 XSLHNCMCOKNONC-UHFFFAOYSA-N 274.408 3.597 30 20 CHED CCn1cncc1/C=C/C(=O)c1cc(C)c(C)cc1C 901430437 KPFVKICKTFUULP-VOTSOKGWSA-N 268.360 3.724 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@](C)(F)C2)c1 499574134 CCIURGJELREMCP-INIZCTEOSA-N 292.354 3.607 30 20 CHED CC(Cc1cccs1)=NNc1cnnc2ccccc12 733749956 GUCMPXIQVRAXJU-UHFFFAOYSA-N 282.372 3.722 30 20 CHED CN(C)Cc1cc(-c2csc(CC#N)c2)ccc1F 904807102 VISONNICYGOXFN-UHFFFAOYSA-N 274.364 3.682 30 20 CHED C#CC1CCN(Cc2csc(-c3ccc(C)o3)n2)CC1 830316618 ZXKOKZKCKASGOG-UHFFFAOYSA-N 286.400 3.557 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1cncs1 735793432 YTHCFYKNEYGMMQ-GHYOLMRSSA-N 255.342 3.986 30 20 CHED C[C@H](NC(=O)CCCCCC#N)c1ccccc1Cl 588147275 NIKVPJIKBXESQY-LBPRGKRZSA-N 278.783 3.991 30 20 CHED CC[C@@H](N[C@@H](C)CCSC)c1cccc(C#N)c1 902808947 ONDFGHWNEPDPEH-SWLSCSKDSA-N 262.422 3.741 30 20 CHED Cc1cccc(Cl)c1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839448710 JKDFWVPGXJDZBR-VXGBXAGGSA-N 277.751 3.888 30 20 CHED COc1cccc(/C=N\CC(C)(C)c2cccs2)c1O 733903639 NLOWOFNRDNGEMZ-YVLHZVERSA-N 289.400 3.859 30 20 CHED N#Cc1cccc(COC(=O)/C=C\Sc2ccccc2)c1 730036974 HJTSTOOVFPMXCL-KTKRTIGZSA-N 295.363 3.907 30 20 CHED O=C(c1sccc1C1CC1)N(O)Cc1ccc(F)cc1 901378715 KCRAUHDOCUXBQK-UHFFFAOYSA-N 291.347 3.796 30 20 CHED C#CCOc1ccc(CNCCc2ccccc2Cl)cc1 733326300 VJXNQGTYFWRCGN-UHFFFAOYSA-N 299.801 3.684 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@H](O)c1ccsc1 739427759 YGTSYCGUPWDIEH-NBPJVQFTSA-N 297.379 3.759 30 20 CHED C[C@H](CC1CCCC1)C(=O)O[C@H]1CCC[C@H](C#N)C1 839054364 NXWSPBIBMAUBKD-SNPRPXQTSA-N 263.381 3.828 30 20 CHED C#CCC1(c2nc(-c3c(C)noc3C)no2)CCCCC1 834874235 IFMPBWVDSJHWQU-UHFFFAOYSA-N 285.347 3.567 30 20 CHED CON=C1CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 834939074 YZRBSJZGZHZNGA-JSGCOSHPSA-N 296.411 3.579 30 20 CHED N#Cc1cccc(C2(NC[C@@H]3CCC4(CCCC4)O3)CC2)c1 581203703 YPBYFLXQRIVCNP-KRWDZBQOSA-N 296.414 3.629 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](CO)c1ccc(Cl)cc1 672619628 IDWGLSJCQXKDSX-GZBFAFLISA-N 281.827 3.606 30 20 CHED Cc1cc(F)c(F)cc1OC(=O)[C@@]1(C#N)CC12CCCC2 839354582 ZCXJVLCITVTXSL-INIZCTEOSA-N 291.297 3.653 30 20 CHED N#Cc1ccc(C(=O)NCC2CCCCCCC2)cc1 917821317 LBDNJORESAAYKO-UHFFFAOYSA-N 270.376 3.649 30 20 CHED CCCCO[C@H]1CC(=NNc2ccc(Cl)nn2)C1(C)C 747626061 RELSXACTKZZCEQ-NSHDSACASA-N 296.802 3.513 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1cccs1)C2=O 742436916 GXJBEQROQJOWST-LCYFTJDESA-N 265.337 3.832 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2nc3c(s2)CCCC3)c1 834903748 QRYUVMIXXAJXMH-ZDUSSCGKSA-N 296.439 3.854 30 20 CHED CC[C@@H](C#N)C(=O)N1CCc2c(-c3ccccc3)cccc21 593609083 POCQZPBVSPOZNR-AWEZNQCLSA-N 290.366 3.792 30 20 CHED CCCCCCCCCN(C)C(=O)c1ocnc1C 747367316 BFIREHLIVSOJTR-UHFFFAOYSA-N 266.385 3.806 30 20 CHED N#Cc1cc(OC[C@@H]2C[C@H]3CC[C@H]2O3)ccc1C(F)(F)F 591372361 QVLROGDDEKREBZ-ZKYQVNSYSA-N 297.276 3.523 30 20 CHED CSc1ccc(CCCC(=O)OCC(C)(C)C#N)cc1 842753854 ILMNKNJYPOGKAF-UHFFFAOYSA-N 291.416 3.824 30 20 CHED CCN(C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)[C@@H](C)C#N 598357363 AXIYAAJBMKBNLK-VHSXEESVSA-N 299.201 3.857 30 20 CHED CC(=NOCc1cccnc1)c1cc(C)cc(C)c1 746588002 INNNASRAXSXQFQ-UHFFFAOYSA-N 254.333 3.639 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H]1C[C@@H](C)C(=O)C(C)(C)C1 847943522 VGRULVVPQZCESD-VXGBXAGGSA-N 266.381 3.526 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cnn(C)c2C)c(C)c1 849249538 JGMCTSSTWFDNMZ-CLFYSBASSA-N 298.386 3.722 30 20 CHED CC[C@@H](CN1CCC[C@H](CC#N)C1)c1ccccc1 597175595 BSIOPNYHRZDGAA-CVEARBPZSA-N 256.393 3.806 30 20 CHED C=C[C@@H](C)ON=C(C)Cc1ccc(OC)c(OC)c1C 844620000 FQWXOIJNYOJBME-GFCCVEGCSA-N 277.364 3.522 30 20 CHED Oc1ccc(Cl)cc1/C=N/Cc1ccc(F)cc1F 745625300 VPWXXTVUPDVING-QGMBQPNBSA-N 281.689 3.943 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CCCCCC1 593940718 MJCREZQOHQYIJZ-AWEZNQCLSA-N 284.403 3.576 30 20 CHED C=C(C)CN(CC)c1nn2cc(-c3ccccc3)nc2s1 917054844 VPRJOJTZXRNOGT-UHFFFAOYSA-N 298.415 3.860 30 20 CHED CC1(C)C[C@@]1(C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597899474 ACEKIUZEUPETRR-BEFAXECRSA-N 296.414 3.507 30 20 CHED C[C@H]1CN(C(=O)c2cccc(CC#N)c2)Cc2ccccc21 915826480 ZUGLVWDJDIDMMK-AWEZNQCLSA-N 290.366 3.512 30 20 CHED CCc1oc2ccccc2c1C=NNc1cc(C)nc(C)n1 915968073 RFZDTLRPFBXZLI-UHFFFAOYSA-N 294.358 3.848 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccc2c(c1)CCCCC2 593838013 PMYXTJBKQCYQTI-UHFFFAOYSA-N 293.370 3.716 30 20 CHED CC[C@H](C/N=C\c1cccc(OC)c1O)CC(F)(F)F 840712776 LKIOXDSWDIFUPU-OAOMGELKSA-N 289.297 3.798 30 20 CHED N#CCCCCOC(=O)c1cc(Cl)cc(Cl)c1 912956688 RFYCZOFDDUBEFA-UHFFFAOYSA-N 272.131 3.844 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1F 916245062 RKADTKBRXZBTRD-UHFFFAOYSA-N 273.267 3.570 30 20 CHED COc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1C 595105709 PJDZUDRYRMYIFS-AWEZNQCLSA-N 280.371 3.726 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 916245128 WRUWJQSJSZFFGF-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C/C(=C/C(=O)N[C@@](C)(C#N)CC(C)C)c1ccc(F)cc1 749615275 MDGQPPGZQSSRTK-HOFZKYPUSA-N 288.366 3.674 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H](C)C1CC1 593960276 RWHQHLAXTYEVQV-ZIAGYGMSSA-N 296.414 3.526 30 20 CHED COCc1cccc(/C=C2/Cc3c(F)cccc3C2=O)c1 742433421 WVURVPVNCUPCRJ-ZROIWOOFSA-N 282.314 3.795 30 20 CHED C=CCN(C(=O)N[C@H](c1ccccc1)C1CC1)C(C)C 918063441 YPJBPHLOSBXJMV-MRXNPFEDSA-N 272.392 3.744 30 20 CHED CCC[C@H](C(=O)NC1(C#N)CCC1)c1cccc(Cl)c1 599183560 YCDWJKVBLQYQTQ-AWEZNQCLSA-N 290.794 3.786 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc2cc(OC)ccc2[nH]1 683904951 HUSLHNVYXPZXEF-UHFFFAOYSA-N 284.359 3.883 30 20 CHED C[C@@H](C#N)N(C(=O)c1cccc(Cl)c1Cl)C1CC1 598122844 GTWNBSCSUGEPLU-QMMMGPOBSA-N 283.158 3.510 30 20 CHED CCC[C@@H](C(=O)NC(C)(C)C#N)c1cccc(Cl)c1 599398918 FWLVFQXFRMFAQG-CYBMUJFWSA-N 278.783 3.642 30 20 CHED C#CC[C@H](NC(=O)/C=C\C1CCCC1)c1ccccc1 843572669 XBLIIYVZCXAGEN-NJWFCXLTSA-N 267.372 3.614 30 20 CHED C=C(C)CCOC(=O)C[C@@H](C)Cc1ccccc1OC 744303590 JRHRUHDLEFELNS-AWEZNQCLSA-N 276.376 3.773 30 20 CHED N#CCC1(COc2ccc(C(F)(F)F)c(C#N)c2)CC1 596281536 MPXLFIHSIQUISK-UHFFFAOYSA-N 280.249 3.650 30 20 CHED COc1ccc([C@H]2CCN([C@@H](C#N)c3ccccc3)C2)cc1 595300173 AVVAXUQPXKAJET-HKUYNNGSSA-N 292.382 3.749 30 20 CHED C[C@H](c1ccc(F)cc1F)N1CCC[C@@H](CC#N)C1 595612407 WKRBTJPFLUABPL-NEPJUHHUSA-N 264.319 3.651 30 20 CHED CC[C@H](N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(C#N)cc1 594520925 RQGOVEJYWCUFTB-FHWLQOOXSA-N 297.446 3.616 30 20 CHED C=CC[C@@H]1N(C(=O)c2coc(C3CC3)n2)CCCC1(C)C 683458152 YKCTURXEBDRGKJ-AWEZNQCLSA-N 288.391 3.759 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C(\CC)c1ccc(C)cc1 741694261 GPWZMDDKLSZKMK-FQZGENGWSA-N 257.377 3.869 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cc(C#N)cs1 748440006 CSCFIQAPLRBAIH-SNAWJCMRSA-N 298.323 3.733 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2cc(C)cc(C)c2o1 682437526 KFDKPTWLGVBDCR-MRXNPFEDSA-N 272.348 3.985 30 20 CHED C=CCN(C(=O)Nc1c(OC)cccc1SC)C(C)C 841823812 HBMKNLLCSZBOMV-UHFFFAOYSA-N 294.420 3.845 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2c(F)cccc2F)co1 752886116 HBAHKVGLIOWTDR-SREVYHEPSA-N 277.270 3.972 30 20 CHED N#Cc1cc(COC(=O)c2cccc3cc[nH]c23)ccc1F 758955359 RDAHAKZWOPIKHY-UHFFFAOYSA-N 294.285 3.536 30 20 CHED CCCCCCCCN1CCn2c(nnc2C(C)(C)C)C1 852743220 BQBKXQHXPXFFPE-UHFFFAOYSA-N 292.471 3.752 30 20 CHED CC(C)c1csc(CN[C@H](C)CC(C)(C)C#N)n1 925282644 KCHJBRMOPSAWBR-LLVKDONJSA-N 265.426 3.684 30 20 CHED CCCCCCCCC(=O)NCCC1CSC1 854979998 XVSDFZAGVJYEBM-UHFFFAOYSA-N 257.443 3.606 30 20 CHED C=CCCCCCN1CCC[C@H](c2ccnc(C)n2)C1 683779630 JGGZUPKXPZFRFO-INIZCTEOSA-N 273.424 3.711 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2c(s1)-c1ccccc1CC2 753416280 PLRGWQIWIRSPQH-ZDUSSCGKSA-N 297.379 3.973 30 20 CHED C=C(Cl)COC(=O)[C@H](C)c1ccc(Cl)s1 750548569 LDJNWQSQZSNPCQ-SSDOTTSWSA-N 265.161 3.801 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccc(C#N)c(C(F)(F)F)c1 758375273 PCCHGXKXRUZMQI-PSASIEDQSA-N 267.254 3.631 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)cc2F)c(C)n1C 754945080 QWVOJYCSLXZEBO-UHFFFAOYSA-N 281.281 3.505 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C2CCC3(CC2)CC3)C1 851084852 XWQHDHPOOVPCCT-OCCSQVGLSA-N 261.365 3.582 30 20 CHED COc1ccc(CCNN=Cc2ccccc2C2CC2)cc1 751133474 OZABKOMQDBXIDJ-UHFFFAOYSA-N 294.398 3.739 30 20 CHED COC(=O)c1cccc(NN=C2CCC[C@@H]2CCF)c1C 853398359 ZIGYMIWTUNRWJW-GFCCVEGCSA-N 292.354 3.709 30 20 CHED CCOc1cccc(/C=N\[C@@H]2CCCC[C@H]2C)c1O 920943090 MYIWVKPUSHCISQ-NJPOPAGRSA-N 261.365 3.789 30 20 CHED CCCOc1ccc(NCc2cccc(C#N)c2)cc1OC 858341279 DQTGEEUSYXFEQZ-UHFFFAOYSA-N 296.370 3.968 30 20 CHED Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c(O)c1 756627249 SOOGWXFIPOHAQJ-UONOGXRCSA-N 280.371 3.984 30 20 CHED CSc1ccc(/C=C\C(=O)N[C@@H](C#N)C(C)(C)C)s1 859917004 SJYMNZXZQVPHEO-XOIDGJRKSA-N 294.445 3.538 30 20 CHED C=CCSCCNC(=O)c1ccc([C@@H](C)CC)cc1 755247582 NSFFYTXHWXFFLZ-ZDUSSCGKSA-N 277.433 3.849 30 20 CHED C#Cc1cccc(N[C@H](C)CCc2ccc(OC)c(O)c2)c1 756100348 HORPFCVCCCPQMJ-CQSZACIVSA-N 295.382 3.815 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)c1ccc(Cl)cn1 935530453 KFZVVQHMXLMBDN-GHMZBOCLSA-N 266.772 3.515 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(Cc1ccoc1)C1CC1 930016790 DITFNLIDRBEUBK-UHFFFAOYSA-N 295.342 3.656 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(NC(=O)OC)c(F)c1 935334734 LNKNQMSERXEVTO-SNVBAGLBSA-N 294.326 3.545 30 20 CHED C=C1CCN(C(=O)Nc2c(Cl)cccc2OC)CC1 864252914 KJESKRCSFJQBGR-UHFFFAOYSA-N 280.755 3.533 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 767096611 WFPGMFPPWGCZNT-UHFFFAOYSA-N 294.276 3.565 30 20 CHED CCCCCCCNC(=O)c1cccc(NC(C)=O)c1C 862356146 CVSJGEYVRCQHOV-UHFFFAOYSA-N 290.407 3.654 30 20 CHED Cc1cccc2oc(C(=O)N3CCC[C@@](C)(C#N)C3)cc12 935351599 RUMKKHDYQMDFTI-KRWDZBQOSA-N 282.343 3.507 30 20 CHED CC(C)(C)SCCCC(=O)N[C@@](C)(C#N)C(C)(C)C 766581629 SXRQUOCXDYONSP-HNNXBMFYSA-N 284.469 3.743 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(N(C)C)c(F)c1 769783973 KSCNEYRXVXRJOO-ALCCZGGFSA-N 273.307 3.689 30 20 CHED C=CC[C@H](N[C@H](COC)Cc1ccccc1)c1ccncc1 766020903 QVZSBDSHIDLHFR-OALUTQOASA-N 296.414 3.546 30 20 CHED C=CCCCOC(=O)[C@H](C)OC1CCCCCC1 761241565 PSAATFBGBYCXJR-ZDUSSCGKSA-N 254.370 3.624 30 20 CHED C[C@H]1CC[C@@H](C(=O)OCCCCC(C)(C)C#N)C1 768830299 FBAYRIQZLLSRLK-QWHCGFSZSA-N 251.370 3.686 30 20 CHED CCC/C(C)=C/c1nnc(COc2ccc(C#N)cc2)o1 1118415228 JKYAPXRWFRWFIK-FMIVXFBMSA-N 283.331 3.724 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H](C)CC1CCCCC1 1116433790 KHBXSHYTURDYIW-DZGCQCFKSA-N 264.413 3.647 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(-c2ccccc2)ns1 767091139 KFVWFIZEOGSAHC-UHFFFAOYSA-N 284.384 3.798 30 20 CHED CCCC1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 1116444427 SEWHATAFBBDDIS-OAHLLOKOSA-N 286.419 3.990 30 20 CHED Cc1cc(C#N)ccc1CONC(=N)c1cccc(Cl)c1 776743725 SISJROGRPRNOQL-UHFFFAOYSA-N 299.761 3.567 30 20 CHED CCNc1ccc(C#N)cc1NCc1csc(C2CC2)n1 776843657 DVOMDZIEXVWKDM-UHFFFAOYSA-N 298.415 3.936 30 20 CHED CC(C)c1nccnc1NN=Cc1cccc(Cl)c1 773095656 ZVCJOCQKPLKKET-UHFFFAOYSA-N 274.755 3.699 30 20 CHED Cc1ccc(C=NNc2nccnc2C(C)C)c(C)c1 773086349 QFGRRAOWRWFQGQ-UHFFFAOYSA-N 268.364 3.663 30 20 CHED CCC[C@@H](C)N(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 877953409 MHSPPDAVVUUFLG-CRAIPNDOSA-N 286.419 3.547 30 20 CHED CCN(C(=O)CC#Cc1ccccc1)C1CCCCC1 1116266779 OJWJUMFTVUKDSO-UHFFFAOYSA-N 269.388 3.609 30 20 CHED Cc1cc(C(=O)/C=C\c2nc3c(s2)CCCC3)ccc1O 776263205 BVYNDWSBWYYVNP-HJWRWDBZSA-N 299.395 3.932 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@H]1CO 779027097 JXKYOULUUXKRSC-HOTGVXAUSA-N 283.456 3.747 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCCOC[C@H]1C 772988001 DUXPTJLWJLUBCP-JKSUJKDBSA-N 298.471 3.803 30 20 CHED C(=NNc1ccccc1)c1nc(-c2ccccc2)c[nH]1 1116022910 CFICIUCPTDPHTI-UHFFFAOYSA-N 262.316 3.523 30 20 CHED Cc1cc(Cl)c(C(=O)N[C@H](C#N)C2CCCC2)cc1C 1119506710 QZMZJFOUFXHWBR-OAHLLOKOSA-N 290.794 3.769 30 20 CHED C[C@H](C#N)CNN=Cc1ccc(-c2ccccc2F)s1 771106034 AEOSIQOMSGZTFY-LLVKDONJSA-N 287.363 3.637 30 20 CHED C=CCC[C@H](CCC)NC[C@@]1(O)CCc2ccccc21 773102430 MSFNKMRGEBIPPN-WMZOPIPTSA-N 273.420 3.545 30 20 CHED COc1cc(F)cc(NN=C(C)C2CCSCC2)c1 777442927 KVYPRYRYXPHEQG-UHFFFAOYSA-N 282.384 3.765 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@@H](C)[C@H]1C 773077149 CWPQWDXBIUGYCK-VXGBXAGGSA-N 260.385 3.824 30 20 CHED C=CCc1ccc(OC(=O)c2cc(C)oc2C)c(OC)c1 875123471 JYILLZZAFDSSIY-UHFFFAOYSA-N 286.327 3.853 30 20 CHED CC(C)[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2O)CCO1 771521677 VCYPXEUNJCMPJW-ZYGDNQFUSA-N 281.783 3.668 30 20 CHED CC/C=C(\C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887704688 PFHMJGIYKDHVPE-LNKIKWGQSA-N 282.387 3.621 30 20 CHED COc1cc(C#N)ccc1O[C@@H](C)c1ccccc1 70192731 LCNLACBPPSFWRJ-LBPRGKRZSA-N 253.301 3.707 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1csc(C2CC2)n1 773126639 VSFJXFSEUBSTOH-CYBMUJFWSA-N 277.437 3.913 30 20 CHED C=CCC[C@H](C)N[C@@H](Cn1ccnc1)c1ccccc1 883388449 VLVKYSUXKLAIFK-RDJZCZTQSA-N 269.392 3.569 30 20 CHED C#CCC1(C(=O)Nc2cc(C3CCCC3)[nH]n2)CCCCC1 788512595 ZDHPPYYNZUMDBJ-UHFFFAOYSA-N 299.418 3.980 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 781188285 XYMPEQYBNLVRRC-LBPRGKRZSA-N 298.317 3.710 30 20 CHED COc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1C 782194307 NBQXPVZUIOMBAF-HYXAFXHYSA-N 287.746 3.948 30 20 CHED C=C1CCC(C(=O)NC2(c3ccccc3)CCOCC2)CC1 888939318 KJYBRBAIZHGLSC-UHFFFAOYSA-N 299.414 3.555 30 20 CHED C=C1CCC(C(=O)Nc2cccc(NC(=O)OC)c2)CC1 888289489 BODRMCXZHXEWJU-UHFFFAOYSA-N 288.347 3.550 30 20 CHED O=C(O)c1csc(/C=C\C(=O)c2c[nH]c3ccccc23)c1 782200939 OXSYSHYPEVJGCU-WAYWQWQTSA-N 297.335 3.824 30 20 CHED COc1cccc(NN=Cc2ccc(Cl)cc2F)c1 783514601 QFWXBKVZVILAQG-UHFFFAOYSA-N 278.714 3.934 30 20 CHED Cc1cccc([C@@H]2CCCN2c2nc(C)cc(C)c2C#N)n1 1120870000 HVGNNTNAMXORQC-KRWDZBQOSA-N 292.386 3.615 30 20 CHED Cc1ccc(NC(=O)/C=C\C(=O)c2ccc(C)cc2)cc1 899911946 WPVBEDIBLBSABT-QXMHVHEDSA-N 279.339 3.681 30 20 CHED O=C1CCCN1N=Cc1ccc(-c2ccc(Cl)cc2)cc1 789033099 CAORINIKKOFFEM-UHFFFAOYSA-N 298.773 3.963 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 890321043 RHMYYXNGPVCBFF-CMPLNLGQSA-N 275.314 3.532 30 20 CHED CC(C)=CCC[C@@H](C)CC=NN[C@@H]1CCCOC1 780263024 QBKQJLNXYDMGFZ-HUUCEWRRSA-N 252.402 3.513 30 20 CHED C=CC1(OC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 893365376 KUKSLSGUFOMTOG-NXEZZACHSA-N 262.271 3.617 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H](c1ccccn1)C1CC1 895793705 JJOCKZLJOFRHTP-LLVKDONJSA-N 290.779 3.626 30 20 CHED CCc1ccccc1COC(=O)C1(C#N)CCCCC1 782263076 XEVSPWUJRRQMIO-UHFFFAOYSA-N 271.360 3.766 30 20 CHED C=C[C@H]1CCCCN1C[C@@H](O)c1ccc(Cl)c(F)c1 785997279 KKCFLALMXPAXIE-SWLSCSKDSA-N 283.774 3.553 30 20 CHED N#CC1(CCCCOc2ccc3c(c2)CCNCC3)CCC1 899588330 QNMYHYGCEGXFSY-UHFFFAOYSA-N 298.430 3.618 30 20 CHED C=C(Br)CNc1cc(Cl)ccc1[N+](=O)[O-] 168330425 HUSCUGJGBFSGKF-UHFFFAOYSA-N 291.532 3.569 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H]1[C@H]1CCCO1 793483623 OAXHFPKBPSMIHZ-JKSUJKDBSA-N 281.440 3.907 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C\Sc1ccccc1 798551775 WAAWRAYVNYYWRB-HHQWOOOKSA-N 261.390 3.763 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)ccc1N(C)C(C)C 798550884 GZCODWNOYFWVMC-OAHLLOKOSA-N 288.435 3.924 30 20 CHED C=CC[C@@H](NC(=O)c1cc[nH]c1C(C)C)c1ccncc1 796481596 GHDYQXSWTNNFOQ-OAHLLOKOSA-N 283.375 3.580 30 20 CHED CC(CC1CCC1)=NNc1cccc(F)c1[N+](=O)[O-] 790306057 DABMBBJVMIPDSJ-UHFFFAOYSA-N 265.288 3.712 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C1/CC[C@@H](C)C1 797169799 BCIVNBSFKFBXEJ-YGYTWAPGSA-N 283.375 3.675 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H]2CCC(C)C)cc1C#N 799351741 GYMISORDMKTRKJ-KRWDZBQOSA-N 284.403 3.908 30 20 CHED COc1ccccc1CON=Cc1cccc2cccnc12 799118196 UQWXCRKRAFCERH-UHFFFAOYSA-N 292.338 3.794 30 20 CHED C=CC[C@@H](CC)NC(=S)N[C@@H](C)c1ccccc1 798376028 RKEITKIATGHMRH-GXTWGEPZSA-N 262.422 3.566 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1cc(C#N)ccc1OC 796325304 ATSUWUNBXIJAHM-KRWDZBQOSA-N 289.375 3.826 30 20 CHED Cc1cccc(F)c1CN[C@H](C)c1ccc(C#N)cc1 743484386 OPGOIGPMLLXUDK-CYBMUJFWSA-N 268.335 3.857 30 20 CHED N#Cc1ccc(CSc2ccc(Cl)cc2)nc1 574257823 CIEWYRLJSALJKQ-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC(C)c1cnc(CN[C@H](C)c2cccc(C#N)c2)o1 775337313 DDCPCCCCYWKBHW-GFCCVEGCSA-N 269.348 3.520 30 20 CHED C=C(C)CCN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 775639210 OHGDAEQLAOGYQI-DLBZAZTESA-N 277.383 3.680 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)[C@@H]1C 1162717619 MWIPOEMIHALRQI-WDEREUQCSA-N 285.778 3.995 30 20 CHED Cc1ccc(F)c(C=NNc2ccc(C(C)(C)C)nn2)c1 1318681564 NBRMYSQVDDDWBS-UHFFFAOYSA-N 286.354 3.668 30 20 CHED CC[C@H]1CCCCN1Cc1ccc(Cl)cc1C#N 1232608343 GZIQZBQKUZJJNQ-HNNXBMFYSA-N 262.784 3.976 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 1327429369 QTCACCWZPNONKA-GOEBONIOSA-N 296.414 3.531 30 20 CHED C=C(Br)CN1CCCc2ccc(C)c(F)c21 1170939845 YDPRWGFAUMKMFJ-UHFFFAOYSA-N 284.172 3.795 30 20 CHED N#Cc1cccnc1NCc1cccc(C(F)F)c1 1325947136 LTXWWNADPYJBHN-UHFFFAOYSA-N 259.259 3.503 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2csc(C#N)c2)C1 1324722384 KZFNAEUFFFIVPM-DGCLKSJQSA-N 276.405 3.564 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1cccc2c1CCCN2 1338984445 PZATZQNLRIZWIB-UHFFFAOYSA-N 284.403 3.776 30 20 CHED C=C(C)CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 1337163889 MUFLQMGLFHLQJK-UHFFFAOYSA-N 290.794 3.836 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2csc(C#N)c2)CC1 1330885286 GHLSYYSKKRXEHF-ZDUSSCGKSA-N 290.432 3.908 30 20 CHED C=CC[C@H](N[C@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)O 1334016605 PNUWVFYADJOZOX-IHRRRGAJSA-N 267.413 3.600 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc(Cl)ccc1Cl 1338113628 VITQCEIEWYAYGT-ONGXEEELSA-N 274.191 3.845 30 20 CHED CCc1nnc(-c2cc(C)n(-c3ccc(C#N)cc3)c2C)o1 1345496344 GBOTZRXBWULOTH-UHFFFAOYSA-N 292.342 3.578 30 20 CHED Cc1ncsc1CSCc1cccc(C#N)c1F 1343588173 NXYHDRVXWJOTHG-UHFFFAOYSA-N 278.377 3.896 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)nc2ccccc12 1345018428 YQBRZEDXBVSVDN-UONOGXRCSA-N 294.354 3.782 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cc3ccc(F)cc3s2)C1 1347136825 KMQQVIIDBOTGSN-JOYOIKCWSA-N 289.331 3.889 30 20 CHED Cn1ccc(NN=Cc2c[nH]c3ccc(C(C)(C)C)cc23)n1 1347385803 ZRAILFOCTAINLE-UHFFFAOYSA-N 295.390 3.645 30 20 CHED CC(C)N1CCCC[C@@H]1CN(C)[C@@H](C)c1cccc(C#N)c1 1195368540 WSMXQUQNAHYMOE-QFBILLFUSA-N 299.462 3.814 30 20 CHED CCC/N=C(\S)Nc1cc(Br)ccc1C 1535301 QMGHSVLARYBHNN-UHFFFAOYSA-N 287.226 3.865 30 20 CHED Cc1c(Cl)cncc1NC(=O)[C@H](CC#N)c1ccccc1 1436541289 QYOUWYCMJKROEX-CYBMUJFWSA-N 299.761 3.679 30 20 CHED C=CCCCCCCCN[C@H]1CCN(C)[C@H](C)C1 810243820 VEEOPDFPLPRLKS-CVEARBPZSA-N 252.446 3.585 30 20 CHED C[C@@H](C#N)C(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 1294473544 HXZWHIOZQKHSMZ-SUMWQHHRSA-N 296.345 3.533 30 20 CHED CC[C@H](OC1CCCC1)C(=O)O[C@H](CC#N)c1ccco1 1520425063 HIZVWIYNPLPGDI-DZGCQCFKSA-N 291.347 3.515 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1ccc2[nH]ccc2c1 1459097304 KERXPAXAPAXDGR-UHFFFAOYSA-N 295.367 3.768 30 20 CHED Cc1cccc(Cl)c1COC(=O)c1csc(C#N)c1 1522744935 JBBDOFBVSNHZGI-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CCC[C@@H](CC)C(=O)N1CCCc2cc(C#N)ccc21 1460305297 ZUQDETGZZRCLNA-CQSZACIVSA-N 270.376 3.664 30 20 CHED Cc1cccc(C#N)c1SCc1cc(C(=O)O)oc1C 1600510344 GOYPTNWJCJPERN-UHFFFAOYSA-N 287.340 3.759 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCC[C@@H](C)[C@H]1C 1474477338 LTRPIAXUEDCODK-TUVASFSCSA-N 250.430 3.977 30 20 CHED CCCOc1ccc(CN(CC)C[C@@H](C)C#N)cc1C 1474376913 VQGHMIPZUUKFEE-AWEZNQCLSA-N 274.408 3.765 30 20 CHED CC1(C)CCC[C@@H](CNc2ncc(C#N)cc2F)C1 1472807755 UKLRFSVQSOMPSZ-LLVKDONJSA-N 261.344 3.721 30 20 CHED C=C[C@H](C(=O)NC[C@H]1CCCC(F)(F)C1)c1ccccc1 1548701225 ODKWMNBPODDFAT-ZFWWWQNUSA-N 293.357 3.898 30 20 CHED CC[C@H](CNc1ccc(C#N)c(C)n1)c1ccccc1 1559089323 JAAKSKURPJBSGL-CQSZACIVSA-N 265.360 3.867 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 1559208519 LORZETZSHKXNEQ-OKILXGFUSA-N 287.407 3.619 30 20 CHED CC[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@@H]1CC1(C)C 1559215481 CFZTULQJTPDNBS-GXSJLCMTSA-N 263.772 3.843 30 20 CHED N#CCc1ccccc1C(=O)Nc1cnc2ccccc2c1 1629144037 RFKAPNZSQJYQHK-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C[C@@H]1CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1633952832 OOOQASUAPUHOEA-CYBMUJFWSA-N 292.338 3.585 30 20 CHED COc1cc(C#N)ccc1CN1CCCc2cc(F)ccc21 1642085195 PXXJZJIMRICWDU-UHFFFAOYSA-N 296.345 3.659 30 20 CHED N#Cc1ccc(CCN2CCCc3cc(F)cc(F)c32)cc1 1644328852 DUQFAZFYAVSMHM-UHFFFAOYSA-N 298.336 3.832 30 20 CHED C=CC[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)O 1588759117 PQZWJVWERAFRHH-GFCCVEGCSA-N 293.319 3.602 30 20 CHED Cc1cccc2nc(NCc3ccc(C#N)c(F)c3)oc12 1655571139 YDEAUZLAFQLCDS-UHFFFAOYSA-N 281.290 3.759 30 20 CHED CC(=O)[C@H](Sc1ccc(C#N)cc1)c1ccccc1 1656233097 TZXKUIAHIQNRPF-INIZCTEOSA-N 267.353 3.981 30 20 CHED C=C(Cl)CSc1cc(Cl)ccc1C(=O)O 1588643841 USYWXYVKBREQKF-UHFFFAOYSA-N 263.145 3.883 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2F)ccc1Cl 1584674138 DBACITAQOQKKSQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCc3ccc(F)cc32)c1 1672285147 GDXSQENZERDYDA-UHFFFAOYSA-N 295.317 3.600 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2csc(C(=O)O)c2)c1 1776133595 CIUIPXOFJULWEI-WAYWQWQTSA-N 286.352 3.959 30 20 CHED Cc1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)cc1 1776114232 JKKWHQGYNHTNTQ-QPJJXVBHSA-N 272.325 3.651 30 20 CHED C=CCCC1(C(=O)O)CCN(C/C=C\c2ccccc2)CC1 1776173211 PUMFIBKLNFDJPS-YFHOEESVSA-N 299.414 3.833 30 20 CHED C=C(CNC(=O)NCC1C(C)(C)C1(C)C)c1ccccc1 1681710552 WMLZLBVGBAKXBA-UHFFFAOYSA-N 286.419 3.681 30 20 CHED O=C(O)c1ccccc1NN=C1C[C@@H]2CC=CC[C@H]2C1 1776032256 WCTBTFUYBDBFSY-RYUDHWBXSA-N 270.332 3.529 30 20 CHED Cc1ccc([C@@H](C)C=NNc2ccc(C(=O)O)cc2)cc1 1776012599 XBJFCEIXJFDFPV-ZDUSSCGKSA-N 282.343 3.895 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1C 14202772 LQTADMLQYZIGEX-ZZXKWVIFSA-N 294.350 3.835 30 20 CHED C#CCCCCNCc1c(C)nn(-c2ccc(F)cc2)c1C 150730520 DXJURYSMILFJKB-UHFFFAOYSA-N 299.393 3.521 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(N(C)C)cc1 168270530 HKRWTIWZZLEESK-GFCCVEGCSA-N 283.350 3.936 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cc(C)ccc2C)CC1 152970872 GCBGDTDRMNKNEO-QGZVFWFLSA-N 286.463 3.995 30 20 CHED CC[C@@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 157232053 HWCWORHZKBTZAE-GFCCVEGCSA-N 290.794 3.864 30 20 CHED C=CCn1c(SCCC#CC)nnc1-c1cccs1 155313120 FNHIVSSYIIEZMC-UHFFFAOYSA-N 289.429 3.698 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(COC)c1 156751779 PXIOSPAFXBHQTN-UHFFFAOYSA-N 275.392 3.651 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)C1 159332245 LCDSYERJEBFRIL-NWDGAFQWSA-N 290.794 3.720 30 20 CHED COc1cc(C#N)ccc1NCc1c(C)cccc1C 127960636 XUJYIGKWGGPVEZ-UHFFFAOYSA-N 266.344 3.796 30 20 CHED N#Cc1ccccc1COc1c(Cl)cccc1[N+](=O)[O-] 130459343 FTUXJBUCPFOCSC-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC[C@H](C(=O)NC1(C#N)CCCCC1)c1ccccc1 40216422 ZOXUIOMGLJRWCN-HNNXBMFYSA-N 270.376 3.523 30 20 CHED CCN(CCC#N)C(=O)c1cc(F)c(Cl)cc1Cl 267413116 RZXOCRBMZYLHPC-UHFFFAOYSA-N 289.137 3.508 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)c(F)c2)cc1 43389787 AKLQSOQUSGGMDQ-UHFFFAOYSA-N 274.726 3.641 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2[nH]ccc2c1 182651367 CMQYQNSFIYVDLQ-GFCCVEGCSA-N 256.349 3.643 30 20 CHED C[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1F 308717502 XVIRNWWCPOBCES-LRDDRELGSA-N 260.356 3.756 30 20 CHED C=C(Br)CNc1c(C)cnc2ccccc12 309883188 WQKHXGIDSVILPA-UHFFFAOYSA-N 277.165 3.864 30 20 CHED C[C@@H]1CCCCN1Cc1ccc(Br)cc1C#N 310275481 JLMBHFKEPYPHMR-LLVKDONJSA-N 293.208 3.695 30 20 CHED C#C[C@@H](NCc1c(OC)ccc2ccccc12)C(C)C 312152905 BBYLYNUVVCZQBH-QGZVFWFLSA-N 267.372 3.596 30 20 CHED CCOC[C@@H]1CCCCN1CCCCC(C)(C)C#N 313468140 JKPMBBPWLPLDNF-HNNXBMFYSA-N 266.429 3.597 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc2c(c1)OCO2 389200680 RKKCWLMNPZWVCE-LBPRGKRZSA-N 261.365 3.668 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccc2ccccc2n1 743870608 YZIMUZCNIJSAAS-UHFFFAOYSA-N 286.378 3.870 30 20 CHED C=C(C)CNC(=S)Nc1ccc(-c2nccs2)cc1 7557452 PODQFVXZULAQRE-UHFFFAOYSA-N 289.429 3.673 30 20 CHED Cc1cccc(C)c1NC(=O)CCc1ccc(C#N)cc1 10413593 DPGNQTATKYHMMF-UHFFFAOYSA-N 278.355 3.746 30 20 CHED C=CCCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 117871018 YGSFBRSMVSQDOQ-HNNXBMFYSA-N 273.376 3.561 30 20 CHED Cc1ccoc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 25439001 HJLTVKKZDDGKGO-UHFFFAOYSA-N 268.316 3.642 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC1CCC(C)CC1 58451783 MHHPYCJPGATFHF-UHFFFAOYSA-N 285.391 3.815 30 20 CHED C#CCCCNC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 174098413 XPBWEZKANFESSY-OAHLLOKOSA-N 290.382 3.626 30 20 CHED CCc1ccc(CNCc2cc(C#N)cs2)s1 177685416 DGBWBZHOGLGHPR-UHFFFAOYSA-N 262.403 3.533 30 20 CHED CCCCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H](C)CCC 177771440 YBYRTODMPFONEM-ZDUSSCGKSA-N 275.396 3.707 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C1(C#N)CCCCC1 175759410 PPDSUUVHCBPCQX-DOTOQJQBSA-N 296.414 3.865 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)OCc2cccc(C#N)c2)C1(C)C 111476423 NGTRBEQCNBMLRY-HOTGVXAUSA-N 283.371 3.840 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C(\C)c1ccccc1OC(F)F 175423130 ZAXWQHYBQVPMTG-HCRIHEDKSA-N 295.329 3.772 30 20 CHED C=CCCCC(=O)NCCCO[C@@H](C)c1ccccc1 175210069 HRQBEHJFKJGQRE-HNNXBMFYSA-N 275.392 3.627 30 20 CHED CSc1ccccc1C(=O)Nc1cccc(C#N)c1C 178629383 BZCWCQIEVCMNMP-UHFFFAOYSA-N 282.368 3.841 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CCCC2)cc1 66397006 SRSASJDDJSFLFT-MRXNPFEDSA-N 284.403 3.855 30 20 CHED C[C@@H]1COc2ccccc2N1CCCC(C)(C)C#N 174879953 KPDQFFIMDYMPCO-CYBMUJFWSA-N 258.365 3.604 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC(C)(C)C1 179273358 TXZSXIMWYCCHIN-MRXNPFEDSA-N 284.403 3.733 30 20 CHED O=C(/C=C/c1csc(-c2ccsc2)n1)c1cnccn1 115962439 SKGFBTZFXPNHCI-OWOJBTEDSA-N 299.380 3.558 30 20 CHED CCC[C@H](CCc1ccccc1)Nc1nccnc1C#N 301410182 JQJMJUSOKZIPQS-OAHLLOKOSA-N 280.375 3.562 30 20 CHED C=CCN1CCC(NC(=O)[C@H](CCCCC)C(C)C)CC1 176301453 NBZWDXYNRDBRHK-QGZVFWFLSA-N 294.483 3.606 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/Cc2cccc(O)c2)cc1 303789743 VRKCRXPLKKYJLD-ZDUSSCGKSA-N 297.402 3.833 30 20 CHED C=C(C)CSCC(=O)Nc1ccccc1OC(F)F 177864375 ZRKBXROODBLMQJ-UHFFFAOYSA-N 287.331 3.536 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(N(C)C)c1 173582808 GCMALUSCVSWEJL-OAHLLOKOSA-N 293.414 3.817 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCOC1CCCC1 111642105 IICKYQCCMFNNKA-UHFFFAOYSA-N 298.308 3.948 30 20 CHED CCOc1ccccc1C(=O)Nc1cccc(C#N)c1C 178636210 ZNWWNOSRPZVILX-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CCCc1ccccc1NCC(=O)Nc1ccc(C#N)cc1 25903198 JUIJIZXCSLOOHS-UHFFFAOYSA-N 293.370 3.561 30 20 CHED Cc1ccc(CCN(C)Cc2cccc(C#N)c2)cc1 303744071 FKUYBWGANALFNX-UHFFFAOYSA-N 264.372 3.541 30 20 CHED N#C[C@H](OC(=O)CSc1ccc2ccccc2c1)C1CC1 176063155 BTSZMCBRWNPTQN-INIZCTEOSA-N 297.379 3.777 30 20 CHED COc1ccccc1C[C@@H](Nc1ccc(C#N)cn1)C(C)C 301489112 KMLAUVCOMHQJOX-MRXNPFEDSA-N 295.386 3.641 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)c1 67538930 KZBUDTZKAZKBCX-CYBMUJFWSA-N 294.354 3.598 30 20 CHED CC[C@@H](C#N)Nc1cc(-c2ccncc2)ccc1C 122225442 SOGDCUNWLSXQIO-HNNXBMFYSA-N 251.333 3.771 30 20 CHED CC[C@@H](C)CSc1cc(C#N)ccc1[N+](=O)[O-] 302229051 XTQAIGFXOPMRPA-SECBINFHSA-N 250.323 3.605 30 20 CHED C[C@H]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N 42804419 NDWPVLVENGBZSV-RYUDHWBXSA-N 273.336 3.705 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 188472749 UAGKYWNMLDAFNG-KSSFIOAISA-N 297.402 3.652 30 20 CHED C=CC1CCN(c2ccnc3c(F)cccc23)CC1 302671430 KSCBRUKCKFABSA-UHFFFAOYSA-N 256.324 3.776 30 20 CHED C=C[C@H](Sc1ccc(C(C)C)cc1)C(=O)OC 304208842 GILVLIQDNHQFJK-ZDUSSCGKSA-N 250.363 3.630 30 20 CHED C[C@H](CCC#N)Sc1nnc(NCc2ccco2)s1 188268491 CVAFDDOTCNUKRQ-SECBINFHSA-N 294.405 3.528 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@H]1OCCc2ccccc21 182601053 LOSNIUHGULRCBB-RHSMWYFYSA-N 287.403 3.552 30 20 CHED C=CC[C@@H](C(=O)Nc1ncccc1C)c1ccccc1 186220466 FELACENIHFAMAO-OAHLLOKOSA-N 266.344 3.688 30 20 CHED C=C[C@@](C)(CC)C(=O)N(CC)Cc1cccs1 189888865 LNXUWJGUKSGKEC-AWEZNQCLSA-N 251.395 3.699 30 20 CHED N#Cc1ccc2nc(-c3ccsc3Cl)[nH]c2c1 478227365 DHSQBSKLOJVELR-UHFFFAOYSA-N 259.721 3.816 30 20 CHED C=C(C)CN(C)C(=O)c1sc(-c2cccs2)nc1C 180455026 YHRUOLFMDAOWHW-UHFFFAOYSA-N 292.429 3.828 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCc2ccccc2C1 187927851 CHAAMTQBTFYCCI-WMZOPIPTSA-N 271.404 3.605 30 20 CHED CC(C)Cn1cc(/C=C/C(=O)c2cccc(F)c2F)cn1 180758764 XWMZPBABGRBXFY-VOTSOKGWSA-N 290.313 3.713 30 20 CHED COc1cc(C#N)ccc1NCc1ccc(Cl)s1 127981973 NUVMBJHETDNCIZ-UHFFFAOYSA-N 278.764 3.894 30 20 CHED N#CCOc1ccc(NC2C3CC4CC(C3)CC2C4)cc1 36813646 WOZDHXIHGJWCLV-UHFFFAOYSA-N 282.387 3.826 30 20 CHED C=CC[C@@H](C(=O)NCc1ccccc1F)c1ccccc1 186112300 YIAGIRFBWIWYIS-MRXNPFEDSA-N 283.346 3.802 30 20 CHED CC1(C)Cc2cccc(/C=C/C(=O)c3cccnc3)c2O1 78022851 HCMQNFOLYNNLNI-CMDGGOBGSA-N 279.339 3.691 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H](c3ccccc3C)C2)n1 507026558 HBOWMQFLVLTHTA-INIZCTEOSA-N 291.398 3.872 30 20 CHED C=CCOCCSCc1cc(-c2cccs2)on1 419363005 QBFUVIKMQYCGNL-UHFFFAOYSA-N 281.402 3.839 30 20 CHED Cc1ncsc1CN(C)Cc1ccc(Cl)cc1C#N 187010543 KOYDDUIQIOLMPN-UHFFFAOYSA-N 291.807 3.609 30 20 CHED C[C@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccsc1 78119555 DMEPDCILETUEJC-LBPRGKRZSA-N 278.421 3.640 30 20 CHED C[C@@H](Nc1ncccc1Cl)c1ccc(C#N)cc1 37749739 BJGUEKSLUDFVTB-SNVBAGLBSA-N 257.724 3.780 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 181406066 RYTQLVGJCOMOKL-HUUCEWRRSA-N 294.439 3.522 30 20 CHED N#CCSCCCN1CCC[C@@H]1c1ccc(F)c(F)c1 74990838 BYMHEXNUPAEERB-OAHLLOKOSA-N 296.386 3.749 30 20 CHED C=CC[C@@H](C)NC(=O)C(CC)(CC)c1ccccc1 75200818 LCRDJLIOBLZCEJ-CQSZACIVSA-N 259.393 3.825 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)c2nc3ccccc3[nH]2)n1 73350124 BGRZNFYCGLKDSX-GFCCVEGCSA-N 291.358 3.620 30 20 CHED C=CCCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 76486993 REUCEFIFBPTXNM-ZIAGYGMSSA-N 277.795 3.868 30 20 CHED C=CC[C@H](C)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1 187078541 FAELSQDKVZADEP-NSHDSACASA-N 295.342 3.517 30 20 CHED C=C(Br)CNc1cc(C)nc2ccccc12 136269870 OZAXDEZUKXFMRF-UHFFFAOYSA-N 277.165 3.864 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC(C2CCC2)C1 413836229 PBKLVCOCXPQSNO-SFHVURJKSA-N 298.430 3.615 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCCC(C)(C)C1 508491341 SKPSCRSIQLILTB-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1[C@@H](C)C1(F)F 410346176 ULUZYUUWUPVDCM-MFKMUULPSA-N 265.303 3.645 30 20 CHED CC1(C)CCCC[C@H]1/C(O)=N/Cc1nnc(C2CC2)o1 329381606 OBRRIGVYLUVWOK-NSHDSACASA-N 277.368 3.620 30 20 CHED C[C@H](CCc1ccc(F)cc1F)NCC1(C#N)CCC1 418143092 OSJHBJRDXVRJKU-GFCCVEGCSA-N 278.346 3.569 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCOc2c(Cl)cccc21 190985691 ZGWRHXLSCSJBPO-XJKSGUPXSA-N 293.794 3.882 30 20 CHED C=CCn1c(SCCC)nnc1-c1ccccc1F 192624323 VFOQLHVUXQHLDB-UHFFFAOYSA-N 277.368 3.772 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cccc(-c2ccoc2)c1 89779344 ZRUSVDSBECWJCH-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED C=CCC[C@H](O)CN[C@H](c1cccc(C)c1)C(F)(F)F 510445828 QYHRIDBPNZKHKU-UONOGXRCSA-N 287.325 3.515 30 20 CHED CCCCCCC[S@](=O)Cc1csc(CC)n1 133016724 SWEKBNLRYMVSSF-QGZVFWFLSA-N 273.467 3.925 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NCC#Cc1cccc(F)c1 513222398 NMKMBMPLEMQXSG-CQSZACIVSA-N 289.394 3.756 30 20 CHED C[C@H](N/C(O)=N/CC1(C)CCCCCC1)[C@H]1CCCOC1 329390186 SDQBAOQNKPHNAN-GJZGRUSLSA-N 296.455 3.666 30 20 CHED C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(CC#N)cc1 518183391 YZRWSWDYEOUCPI-GFCCVEGCSA-N 299.399 3.567 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](OC)c1ccccc1 192576209 XBVLLWQRHNRIEW-SFHVURJKSA-N 295.382 3.589 30 20 CHED C[C@]1(c2ccccc2)CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)C1 424334039 VGOIZFVZVYWLCE-HPBDAGMYSA-N 268.404 3.779 30 20 CHED CCCN(CC1CCCCC1)C(=O)C1(C#N)CCCC1 517479723 JEBRZXSPBQHMGK-UHFFFAOYSA-N 276.424 3.889 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCc2ccccc2C1 425509284 UDFPTMCDVLNPAG-INIZCTEOSA-N 271.404 3.605 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccncc1Cl 425532114 IKVNRQCYZQOSSN-GFCCVEGCSA-N 285.778 3.800 30 20 CHED O=C1/C(=C\c2ccccc2F)COc2c(F)cc(F)cc21 195651268 JJBIGDUOLNQZGH-YHYXMXQVSA-N 290.240 3.763 30 20 CHED O=S(=O)(/N=C(\O)CCCC1CCCC1)C1CCCC1 86054602 CIRBJIDRHVRWRC-UHFFFAOYSA-N 287.425 3.576 30 20 CHED C=CCC[C@@H](NCCSCC=C)c1ccco1 513690556 KRCDCRDUIUSHDW-CYBMUJFWSA-N 251.395 3.796 30 20 CHED Cc1c(Cl)cccc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 192785665 LCLKCVAKVGGUQM-ZBEGNZNMSA-N 290.794 3.851 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@](C)(OC)c1ccccc1F 190602512 CVVHZRSRTOEHJL-CXAGYDPISA-N 293.382 3.548 30 20 CHED Cc1cscc1NC(O)=Nc1cnn([C@@H](C)C2CC2)c1 330265836 ZUMRVJYPCDRZTE-JTQLQIEISA-N 290.392 3.882 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)Nc2cccc(CC#N)c2)C1 334738823 AHEMMNGXMFZGCC-BBRMVZONSA-N 285.391 3.795 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C#N)c1ccc(CC)cc1 425603669 BNYXOBOHIYLLIK-OAHLLOKOSA-N 270.376 3.532 30 20 CHED Cc1ccc(-c2ccsc2C(=O)N(C)[C@@H](C)C#N)cc1 334971875 ADFJIWDSMBPGGB-LBPRGKRZSA-N 284.384 3.708 30 20 CHED C[C@@H]1CC[C@@H](/N=C(/O)Nc2ccc(C(F)(F)F)nc2)C1 331304084 UEMHMISDIWBHRE-RKDXNWHRSA-N 287.285 3.615 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)c(OC)cc1C 424771563 KRCNSWBHMLYXEW-UHFFFAOYSA-N 265.328 3.684 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc(Cl)ccc1OC(C)C 92003552 HGIPTOAZGVNPPX-GFCCVEGCSA-N 294.782 3.549 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(F)c1F 425379035 AGGDWFACYQUVFG-UHFFFAOYSA-N 257.255 3.645 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 331092926 JHRKKAVKQSLYFZ-DLBZAZTESA-N 284.403 3.551 30 20 CHED CC(C)c1occc1/C(O)=N/C[C@@H](O)CC(C)(C)C 331090486 HLWAUCNEBSOYAE-NSHDSACASA-N 267.369 3.505 30 20 CHED CCCC1(c2noc(Cc3c(F)cccc3C#N)n2)CCC1 420523563 SXLIFPURALZEJB-UHFFFAOYSA-N 299.349 3.893 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425449835 TZHIOSFKAWMOTR-CAOSSQGBSA-N 291.439 3.583 30 20 CHED C=CC[C@@H](C)NC(=O)CCCCC(=O)c1ccc(F)cc1 427453148 XVTAHMDNVBVQCR-CYBMUJFWSA-N 291.366 3.650 30 20 CHED CCN(Cc1nc(-c2ccccc2)cs1)C[C@H](C)C#N 91983208 FUKJBTZQTKOCOZ-CYBMUJFWSA-N 285.416 3.792 30 20 CHED CCn1nncc1/C(O)=N/C1CCC(C(C)(C)CC)CC1 330446351 RGKTZUNKXQIRDI-UHFFFAOYSA-N 292.427 3.598 30 20 CHED C=C1CCN(C(=O)c2ccccc2Oc2ccncc2)CC1 334375778 DUUCQOZAKCRKIK-UHFFFAOYSA-N 294.354 3.666 30 20 CHED CN(Cc1cc(F)ccc1C#N)Cc1c(F)cccc1F 339599092 PJEVAFYWZCVQEI-UHFFFAOYSA-N 290.288 3.608 30 20 CHED N#Cc1ccnc(N2CCC[C@@H](c3ccccc3)C2)c1Cl 431500928 UZYPAOYJLWVGDY-OAHLLOKOSA-N 297.789 3.991 30 20 CHED N#Cc1ccncc1N1CC[C@H](CSc2ccccc2)C1 91727951 ANMVQYFWWOQCBO-AWEZNQCLSA-N 295.411 3.572 30 20 CHED CC(C)(CCC#N)CNCc1c(F)cc(F)cc1F 339524872 WRENGHBDOFNUKT-UHFFFAOYSA-N 270.298 3.523 30 20 CHED Cc1cc(N(C)CC(C)(C)C#N)c2ccc(F)c(F)c2n1 432159071 ZRKZADOLJKISJA-UHFFFAOYSA-N 289.329 3.807 30 20 CHED Cc1cc(F)cc(-c2noc(-c3cccc(C#N)c3)n2)c1 230996343 SGWPUESBJRKEDS-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CC[C@H](/N=C(/O)c1c(C)[nH]c2ccc(Cl)cc12)[C@H](C)O 331355343 QNSMOHYUWNWKHG-CABZTGNLSA-N 294.782 3.594 30 20 CHED C[C@@H](N(C)Cc1cccc(OCCCC#N)c1)C1(C)CC1 91900457 YQIOFCWABDYIRY-OAHLLOKOSA-N 286.419 3.990 30 20 CHED Cc1ccc(C#N)c(NC[C@@]2(C)C[C@H]2c2ccccc2)n1 338738640 IEASBGPSCHDBDA-FUHWJXTLSA-N 277.371 3.867 30 20 CHED COCCC1(CNc2cccc(C#N)c2)CCCCC1 437592504 RHXOPFPWYYRXHO-UHFFFAOYSA-N 272.392 3.957 30 20 CHED CC1(C#N)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 439065387 QUYQWNFJAFAFLW-UHFFFAOYSA-N 291.354 3.731 30 20 CHED N#CC1(CN2Cc3ccccc3-c3ccccc3C2)CC1 343322613 RHFVZMXMBPGTEM-UHFFFAOYSA-N 274.367 3.973 30 20 CHED Cc1ccncc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430609722 INRDLBVJBGNERN-NSHDSACASA-N 299.399 3.634 30 20 CHED N#Cc1cccc(C#N)c1N1CCC2(CCCC2)CC1 436385650 GSFNSSWPSYTJRA-UHFFFAOYSA-N 265.360 3.591 30 20 CHED C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)[C@@H](C)C2)c1 438122826 PYLJVWGVMDMFIT-OKILXGFUSA-N 288.391 3.761 30 20 CHED CC(C)[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1F 601964779 UKGGPSJRTZRRBN-OAHLLOKOSA-N 278.346 3.945 30 20 CHED CC(C)(CCC#N)CNC(=O)C[C@H]1CCc2ccccc2C1 345907318 NEJFYZSQCZVWLQ-HNNXBMFYSA-N 298.430 3.628 30 20 CHED C=CCCCCCN(C)c1ncnc2sccc12 606895948 YZQSXSCQYUSUIE-UHFFFAOYSA-N 261.394 3.874 30 20 CHED CCCc1cc(C(=O)NCC#Cc2ccccc2)sc1C 251993317 JUYVKVNZKQTXSI-UHFFFAOYSA-N 297.423 3.791 30 20 CHED Cc1cc(OCc2ncccc2C(F)(F)F)ccc1C#N 434648860 PNJVSFSWOWMGFW-UHFFFAOYSA-N 292.260 3.860 30 20 CHED CC(C)N(Cc1cccc(C#N)n1)[C@@H](C)c1ccccc1 602670851 GYFWPPSXWFSROZ-HNNXBMFYSA-N 279.387 3.925 30 20 CHED COc1ccc(CSCC2(C#N)CC2)cc1Cl 344468552 RUMMUDNSSQRGPI-UHFFFAOYSA-N 267.781 3.886 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(c2nccc(C#N)c2Cl)C1 342829318 DDKHWYVEIXNRFD-SMDDNHRTSA-N 298.777 3.589 30 20 CHED N#CCC[C@@H](C#N)CN[C@@H]1CCCc2ccc(Cl)cc21 600616505 XXWKURKLPYPNDN-BLLLJJGKSA-N 287.794 3.751 30 20 CHED Cc1cc(C)c(C#N)c(NCCCOc2ccc(F)cc2)n1 520152963 WAHCVJLMPUDHGF-UHFFFAOYSA-N 299.349 3.590 30 20 CHED CCOc1ccc(/C=C/c2ccncc2C#N)cc1F 349112583 OSFUOJKBXDKNRX-HWKANZROSA-N 268.291 3.661 30 20 CHED CCN(CC)c1ccc(C=Nc2ccccc2)c(O)c1 252461675 NJVXPGOKQZBFPC-UHFFFAOYSA-N 268.360 3.989 30 20 CHED C=C(C)CCNCc1cnn(-c2ccc(Cl)cc2)c1 449477232 ORFWHYULFLLOFZ-UHFFFAOYSA-N 275.783 3.582 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(CC(F)(F)F)cc1 449925379 APSQAQMZMQZXDU-UHFFFAOYSA-N 271.282 3.942 30 20 CHED C/C(=C/C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1Cl 254925146 BJHUVPCBJIKDMW-HMWXGYMHSA-N 290.794 3.798 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1nccc2ccccc12 353639432 SVWKQBFLUOSQTP-CYBMUJFWSA-N 265.360 3.579 30 20 CHED C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H](C)S1 533019310 VRDQOSICACREDZ-BETUJISGSA-N 279.836 3.517 30 20 CHED Cc1nn(C)c2cc(NCc3ccc(F)c(C#N)c3)ccc12 359837699 WIELHZHKMPQYIP-UHFFFAOYSA-N 294.333 3.505 30 20 CHED CC(C)(C)c1cnc(CN(CCC#N)CC2CC2)s1 448335949 XXWABZQGJZFCSP-UHFFFAOYSA-N 277.437 3.566 30 20 CHED COC[C@@H](NC[C@H](C)CCC#N)c1ccc(Cl)cc1 602641941 VWTJUNFOPJENDJ-IUODEOHRSA-N 280.799 3.557 30 20 CHED CC[C@H](NC[C@@H]1CC=CCC1)c1ccc(C#N)cc1 447564828 ZGJXTCVDDMAYME-WBVHZDCISA-N 254.377 3.955 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 539269694 XQVJJGLDJPWDIB-AWEZNQCLSA-N 277.408 3.957 30 20 CHED COc1ccc(C(C)=NNc2ccc(C)cc2)c(O)c1 606346823 HXJLIHDTMDZLOZ-UHFFFAOYSA-N 270.332 3.545 30 20 CHED COCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 351568074 KWSRDDOOZZMCPO-MRXNPFEDSA-N 294.398 3.768 30 20 CHED C[C@@H]1CC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 353594100 FVMSSDMIKDKVFY-MRRJBJDNSA-N 254.377 3.571 30 20 CHED C=CC[C@@H](CO)CNCc1ccc(-c2ccc(C)cc2)o1 537022257 FDUBAUJLYHUISK-OAHLLOKOSA-N 285.387 3.529 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCc2ccc(C#N)cc2)n1 613412087 LISSZKFFQOWARZ-UHFFFAOYSA-N 290.370 3.735 30 20 CHED C=CCCCC(=O)N1CC[C@H](c2ccccc2C)C1 267141739 HFPLDBOPNOIKQE-HNNXBMFYSA-N 257.377 3.667 30 20 CHED C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)C(C)(C)C1 356267624 HASOUPQIDDXSSW-HOCLYGCPSA-N 284.403 3.721 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccccc2OCC)CC1 354667830 JHIGREUKZAAWRE-UHFFFAOYSA-N 287.403 3.790 30 20 CHED CCCOc1cc(C)ccc1NC(=O)c1cc(C#N)[nH]c1C 448737979 ZATPVRCGIOICMM-UHFFFAOYSA-N 297.358 3.544 30 20 CHED Cc1cc(F)ccc1NC(=O)N[C@H](C)c1cccc(C#N)c1 610317767 RNSYDEBWXXCEKT-GFCCVEGCSA-N 297.333 3.889 30 20 CHED CC#CCNC(=O)Nc1c(F)cccc1Oc1ccccc1 443598029 CZDKKDQUZWBAFI-UHFFFAOYSA-N 298.317 3.763 30 20 CHED COc1ccc(C#N)cc1CN1C[C@H](C)[C@H]2CCCC[C@@H]21 611801996 FOXMEZVFDYSJHY-XKQJLSEDSA-N 284.403 3.577 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 614534321 BZZOCVLGGJSROM-LRDDRELGSA-N 292.338 3.945 30 20 CHED CC(C)c1cc(N[C@@H](C)c2cccc(C#N)c2)ncn1 610340330 LODCTTWECQIDNI-LBPRGKRZSA-N 266.348 3.645 30 20 CHED C=CCn1c(C2CC2)nnc1N1C[C@@H](C)c2ccccc21 350751851 IROGJDWWENRHCU-GFCCVEGCSA-N 280.375 3.597 30 20 CHED COc1ccccc1[C@@H]1CC[C@H](C)CN1CCCC#N 352250295 GAOQRAMZGDCCNR-HOCLYGCPSA-N 272.392 3.772 30 20 CHED CCCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 536637880 ZWEZMKXRXQGDSM-UHFFFAOYSA-N 294.398 3.979 30 20 CHED Cc1ccc(C)c2sc(NC(=O)C3(C#N)CC(C)C3)nc12 610860473 VEBJXHWTRSJJRM-UHFFFAOYSA-N 299.399 3.792 30 20 CHED CC(C)(C)[C@@H](COc1ccccc1F)NCCCCC#N 539493909 UIMCFNKOXNNVOV-MRXNPFEDSA-N 292.398 3.903 30 20 CHED C=CCC1(C(=O)N2CC(C3CCCC3)C2)CCCC1 451354958 AAYKKJBUURRCAQ-UHFFFAOYSA-N 261.409 3.772 30 20 CHED CC(C)(CN[C@H]1CCc2ccc(C#N)cc21)c1ccccn1 453294071 QOHNGPPIDRSCSC-KRWDZBQOSA-N 291.398 3.508 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1cc2ccccc2o1 454512534 HEZRTFNCJGIGIQ-LBPRGKRZSA-N 272.348 3.759 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1ccc(F)cc1)C1CCCC1 539293957 FZQQGTCDPYGRRE-KBXCAEBGSA-N 291.410 3.831 30 20 CHED C=CC(C)(C)CNC(=O)c1c(Cl)c2ccccc2n1C 456120834 VQQHKVQKHKBIQO-UHFFFAOYSA-N 290.794 3.774 30 20 CHED CC[C@@H](F)CN1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F 451841656 SIOWCQBJGZKTQH-HRDYMLBCSA-N 295.242 3.940 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CCCC#N)cc1 360364729 NEODGPMYQPFQCD-IAGOWNOFSA-N 284.403 3.783 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1C(F)(F)F 454172032 SSITXDINTAXVKX-UHFFFAOYSA-N 272.270 3.793 30 20 CHED N#Cc1ccncc1N1CC=C(c2c(F)cccc2F)CC1 364916563 OFPBWVMYBAVGJY-UHFFFAOYSA-N 297.308 3.525 30 20 CHED CC#CCCCC(=O)N1CC2(CCC2)c2c(F)cccc21 362148627 AUHMWCLXCIDIKI-UHFFFAOYSA-N 285.362 3.788 30 20 CHED C[C@@H](CCCc1cccnc1)NCc1cccc(C#N)c1F 453214379 JPZQTZSWPBIHHI-AWEZNQCLSA-N 297.377 3.593 30 20 CHED C=CCCCCN[C@@H]1CCCc2nc(C)sc21 274582956 LJOIBJFPPATVCX-GFCCVEGCSA-N 250.411 3.775 30 20 CHED C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 279754086 YHTDFLCGMZTUGS-OKILXGFUSA-N 284.403 3.606 30 20 CHED CC(C)(C)[C@@H](NCc1ccc(C#N)cc1)C(F)(F)F 542775831 QUWGUEZJSMFVGR-GFCCVEGCSA-N 270.298 3.625 30 20 CHED CC1(C)CCC[C@H](CC(=O)NCCc2cccc(C#N)c2)C1 619608926 KYEOJIUTLIRVBS-MRXNPFEDSA-N 298.430 3.823 30 20 CHED C=CC(C)(C)CNC(=O)C1(Cc2ccccc2)CCC1 452776252 QTIUUCXLEAVKMJ-UHFFFAOYSA-N 271.404 3.728 30 20 CHED C=CCC1(NC(=O)[C@H](CCC)c2ccccn2)CCCC1 619110949 RWYUPWITUKJJHX-OAHLLOKOSA-N 286.419 3.970 30 20 CHED C[C@@H](NCC1(CCO)CCCCC1)c1cccc(C#N)c1 271919940 ZWQKMGJRIUQDON-OAHLLOKOSA-N 286.419 3.542 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(-c3csnn3)cc2)C1 278886312 YGMMQMPHRCXCSX-SMDDNHRTSA-N 284.388 3.699 30 20 CHED CCCCOc1ccccc1CNCC(C)(C)CC#N 459730011 LFLFESAFJCRKQX-UHFFFAOYSA-N 274.408 3.895 30 20 CHED CC#CCCCC(=O)Nc1cccc(C)c1Br 274673448 PQFIERZVRISBJT-UHFFFAOYSA-N 294.192 3.890 30 20 CHED C=C(C)Cn1c(-c2sccc2C)nnc1N(C)CCC 549247943 FKCXEYIDAISLOT-UHFFFAOYSA-N 290.436 3.737 30 20 CHED C=CCCN(C)C(=O)c1ccc(O[C@H](C)CC)cc1 276382421 LSRMFQXOFBEZNS-CYBMUJFWSA-N 261.365 3.512 30 20 CHED CC[C@H](NCCc1ccc(C)cn1)c1ccc(C#N)cc1 453430125 QMAOQJLONJNIRX-SFHVURJKSA-N 279.387 3.545 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2cc(F)ccc2C)no1)OCC 545703725 SWNJXZPOADTCGD-CQSZACIVSA-N 290.338 3.708 30 20 CHED C[C@@H]1SCCN(CC2(C#N)CCC2)[C@@H]1c1ccccc1 450415046 AIPODOSCHPZABQ-HOCLYGCPSA-N 286.444 3.859 30 20 CHED C=CCC1(C(=O)NCCCCOC(C)C)CCCCC1 450541932 SJZUVRVKBALBIG-UHFFFAOYSA-N 281.440 3.834 30 20 CHED N#CCCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 272833727 LPPLMNVDCPIMCW-KRWDZBQOSA-N 299.805 3.912 30 20 CHED C[C@H]1CCCC[C@H]1CN1CCC(C#N)(c2ccccn2)CC1 370532810 FDGSNQQRNGQCQW-IRXDYDNUSA-N 297.446 3.765 30 20 CHED C=CCC1(NCc2nc(O)c3ccccc3n2)CCCCC1 625935687 JBVBDGKYOMMXSK-UHFFFAOYSA-N 297.402 3.704 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1cc(Cl)cs1 464158757 PJZASFSRPYLOGJ-CQSZACIVSA-N 298.839 3.779 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2csnn2)cc1 276183429 KOEIXVBERYVPGT-OAHLLOKOSA-N 287.388 3.746 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccccc1C(F)(F)F 272380254 DWBLAETUYRDTQM-CQSZACIVSA-N 298.308 3.764 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(CC)CC1 549601627 QFSVDUPPIBFASL-AWEZNQCLSA-N 290.455 3.994 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC)CCc1ccccc1 466378378 LTNBMLOCMGDRQW-INIZCTEOSA-N 274.408 3.615 30 20 CHED N#Cc1cc(F)c(N[C@H]2C[C@@H]2Cc2ccccc2)c(F)c1 462875677 SVEYTCPJINWSMC-BBRMVZONSA-N 284.309 3.880 30 20 CHED C=C[C@H](C)NC(=O)NCC1(c2ccc(F)cc2)CCCC1 464754343 GBYUTKFZHCBAAS-ZDUSSCGKSA-N 290.382 3.511 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ncc(C(C)(C)C)s1 280040137 ZFKQHOHRZJPJQF-UHFFFAOYSA-N 299.443 3.944 30 20 CHED N#CCC[C@H](N[C@H]1CCC12CCOCC2)c1ccccc1 377121706 XKPUHPSURSFXNA-IRXDYDNUSA-N 284.403 3.580 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)CCC#N 376522407 MANOMWLWIQJRDV-STQMWFEESA-N 290.432 3.606 30 20 CHED C=CCNC(=O)[C@H](C)SC/C=C\c1ccc(Cl)cc1 468649851 DZVLCTBWHASXOS-RXNFCKPNSA-N 295.835 3.777 30 20 CHED C[C@@H](Cc1ccsc1)NC1(c2cccc(C#N)c2)CC1 556607465 DGCKDTZTNCABNV-ZDUSSCGKSA-N 282.412 3.830 30 20 CHED C=C(C)CCc1noc(-c2ccc(C)nc2C2CC2)n1 556411619 IWUHTXQLJXRPER-UHFFFAOYSA-N 269.348 3.826 30 20 CHED Cc1cc(=O)oc2cc(N(C)CC(C)(C)CCC#N)ccc12 289919114 VOWHJTHJMYGIBV-UHFFFAOYSA-N 298.386 3.868 30 20 CHED Clc1cccc(C#CCN2CCCC[C@H]2c2cc[nH]n2)c1 285298696 HCGWNTNJVKDQQU-KRWDZBQOSA-N 299.805 3.642 30 20 CHED CC[C@@H](C)CCC(=O)Nc1scc(C)c1C#N 288675531 BQAFUMCXUYWWGT-SECBINFHSA-N 250.367 3.693 30 20 CHED C[C@H](NCc1cccc(C#N)c1F)c1ccc(F)cc1F 553338174 ZREPLHIDALMWPK-JTQLQIEISA-N 290.288 3.826 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C1CCCCC1 461693330 KCFHTDNBWCLJAR-UHFFFAOYSA-N 285.391 3.899 30 20 CHED C=C[C@@H](C)NC(=O)N(Cc1ccccc1)CC(C)(C)C 464756789 RNQPIXYHDAQJNR-CQSZACIVSA-N 274.408 3.819 30 20 CHED CC1(C)[C@@H](NCC2(CC#N)CC2)C[C@H]1c1ccccc1 370668315 VEPSYTCLMLJCEB-HOTGVXAUSA-N 268.404 3.852 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc2cc(OC)ccc2c1 287243157 OYIOKAPNMRDZIK-CQSZACIVSA-N 297.358 3.662 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 283463082 JDRFTPINKHQOEX-GJZGRUSLSA-N 291.341 3.693 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@@H]1C1CC1 289412508 AKNBXFCJLQDESZ-HNNXBMFYSA-N 283.375 3.519 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCCC[C@@H]1CC 460931202 HIKPHIUSSZUHTK-AWEZNQCLSA-N 276.428 3.747 30 20 CHED CN(c1ccccc1)c1ccc(CNCCCCC#N)cn1 280719250 UVAJINUKXZFBNS-UHFFFAOYSA-N 294.402 3.633 30 20 CHED C=CC[C@H](CC)N[C@H](C)CC(=O)Nc1cccc(C)c1C 281734485 VDMIXVRCKAUILW-ZBFHGGJFSA-N 288.435 3.965 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCCc2occc2C1 288977321 ZDXVJPMAMMVJOW-CYBMUJFWSA-N 266.344 3.661 30 20 CHED Cc1cccc(CNC(=O)Nc2scc(C)c2C#N)c1 559642343 ZFVMWJANKBSTBW-UHFFFAOYSA-N 285.372 3.558 30 20 CHED C#C[C@@H](Nc1nc(C)ccc1C#N)c1ccc(Cl)cc1F 804807681 JBWFQWBSMYFTEX-OAHLLOKOSA-N 299.736 3.841 30 20 CHED C=CCCc1noc(-c2cnn(C(CC)CC)c2C)n1 297179747 DVVNDXUSSDIJRN-UHFFFAOYSA-N 274.368 3.721 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N(C1CC1)C1(C#N)CCC1 551283722 VZXNEYMESKSKCZ-CYBMUJFWSA-N 276.424 3.886 30 20 CHED Cc1nc2c(s1)[C@@H](N(C)c1ccc(C#N)c(C)n1)CCC2 291962924 OGVWDJTYKSQIIK-AWEZNQCLSA-N 298.415 3.540 30 20 CHED C=CCCCCNC(=O)N(C)[C@H](CC)c1ccncc1 472839551 IGCZBRXNDYTBHA-OAHLLOKOSA-N 275.396 3.530 30 20 CHED C=CCOCCCN1CCC(F)(c2ccccc2)CC1 470870800 DGNIZZURXAQKMZ-UHFFFAOYSA-N 277.383 3.540 30 20 CHED C#CCO[C@H](C)C(=O)Nc1c(CCC)cccc1C(C)C 296478310 YGNJFIJUOQNNAC-CQSZACIVSA-N 287.403 3.739 30 20 CHED C1CCC2(CC1)CCC(=NN[C@H]1CCSC1)CC2 808001149 GLRACHHCCFIUPD-AWEZNQCLSA-N 266.454 3.962 30 20 CHED C=CC1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 470178997 QVNSQAVBBDJIQZ-KAMYIIQDSA-N 286.375 3.896 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(N(C)C)cc2)c1 299737400 ISHXOZAIOGZOBZ-UHFFFAOYSA-N 284.359 3.608 30 20 CHED Cc1ccc(C(=O)/C=C/c2c[nH]c(C(F)(F)F)c2)o1 806568293 UHAFHRQYOOATMN-ONEGZZNKSA-N 269.222 3.831 30 20 CHED CC(C)[C@@H](NCCC#N)c1ccc(Cl)cc1F 298887906 KVWXDVSANRMDJO-CYBMUJFWSA-N 254.736 3.679 30 20 CHED Cc1nsc(C)c1-c1noc(C2(C#N)CCCCC2)n1 293129388 VVXYPMJPXYZKEC-UHFFFAOYSA-N 288.376 3.535 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 295753774 OIJFNIDHFJVLIX-LZLYRXPVSA-N 284.403 3.626 30 20 CHED C[C@@H](N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C 564055508 MTIVWDLSQOZKAE-UHOFOFEASA-N 284.403 3.555 30 20 CHED Cc1cc(CN2CCc3cc(F)ccc3C2)ccc1C#N 488144518 VOBACCMRWRNCIG-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=CCCCCCCCNC(=O)Cc1ccc(C#N)cc1 810767112 RZAFCCAREMYWOX-UHFFFAOYSA-N 284.403 3.744 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(O)c(F)c1 811590298 WJHRNMXZGZSMEW-UHFFFAOYSA-N 279.355 3.788 30 20 CHED C[C@@H]1SCCC1=NNc1ccc(Cl)c(F)c1 814862553 OCOBWGZYABKGPG-ZETCQYMHSA-N 258.749 3.772 30 20 CHED Cn1cc(/C=C\C(=O)c2ccccc2Cl)c(C(F)F)n1 812239766 DLDYJWVTZKEVSJ-SREVYHEPSA-N 296.704 3.907 30 20 CHED C#C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(Cl)cc1 811948400 DWCYOPPZHKIESI-XUWVNRHRSA-N 287.790 3.567 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cnn(C)c1Cl 814934391 BQPNIPQIWUEYKO-UHFFFAOYSA-N 290.798 3.951 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2c(F)cc(C#N)cc2F)CCO1 487078210 ZJIHURJUQCNEHP-SMDDNHRTSA-N 294.345 3.842 30 20 CHED N#CCC[C@H](C#N)CNc1cccc(C2CCC2)c1 570017199 DFRKHIAJWHLXDU-CYBMUJFWSA-N 253.349 3.810 30 20 CHED C=CCN(Cc1ccnc(Cl)c1Cl)C1CC1 811490502 SBAKBUNRUWJKCX-UHFFFAOYSA-N 257.164 3.539 30 20 CHED C=CCn1cccc1C(=O)NCc1c(C)oc2ccccc12 488922395 WNFXXGSPUSSOLV-UHFFFAOYSA-N 294.354 3.659 30 20 CHED CCCC[C@@H](C)N(C)C(=O)/C=C/c1ccccc1C#N 811958525 USJWBMMFCSFQCU-GCZGRYASSA-N 270.376 3.609 30 20 CHED CC(C)c1cnc(C=NNCc2cc(F)ccc2F)s1 814809319 XARBLBBVCJWPRT-UHFFFAOYSA-N 295.358 3.668 30 20 CHED C#Cc1ccccc1CC(=O)N1CC(C)(C)c2ccccc21 810523243 FXIXBQXAIZNJKB-UHFFFAOYSA-N 289.378 3.535 30 20 CHED CCCCCCCCCC(=O)N[C@]1(C#N)CC1(C)C 813301026 VNZHDMSCXPDADB-INIZCTEOSA-N 264.413 3.936 30 20 CHED CC1(CNN=C2CCC[C@@H]2C(C)(C)C#N)CCCC1 814938056 UOBWUQCYTILTJI-ZDUSSCGKSA-N 261.413 3.862 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1ccc([C@@H]2C[C@H]2C)o1 811666769 JQTNHJGUZJZHFH-CKEIUWERSA-N 298.386 3.794 30 20 CHED C[C@H](NC(=S)Nc1ccc(F)c(C#N)c1)c1ccccc1 728176998 VTFQSJBOLRQHBP-NSHDSACASA-N 299.374 3.745 30 20 CHED CCCCCCCSc1nc(=O)ccn1C(C)C 729820581 OPKORUVNKMIDKF-UHFFFAOYSA-N 268.426 3.887 30 20 CHED C=CCC(C)(C)CNCc1cc(OC)c(OC)cc1F 570284262 CKSPBBNITPMJOP-UHFFFAOYSA-N 281.371 3.535 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CCCC(F)(F)F)cc1 578914325 JGYPMOUZDKJKCA-ZDUSSCGKSA-N 298.308 3.662 30 20 CHED CN(C)c1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 820671767 IRNICVYLNPPXED-UHFFFAOYSA-N 285.391 3.555 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 579786564 SYKWIYXNQVUORU-RHSMWYFYSA-N 299.414 3.510 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)nc1 728810566 KDCRNNFMQOHORO-LBPRGKRZSA-N 298.773 3.550 30 20 CHED N#Cc1cc(NCCCc2ccc(Cl)cc2)ccn1 579720149 MEIXHCFIWDWCCG-UHFFFAOYSA-N 271.751 3.651 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1nc([C@H](C)SCC)no1 821447135 BJIULBPMPAHMAB-JTQLQIEISA-N 298.408 3.529 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)nc1 728812110 PCHCFLOSIQOCFS-KRWDZBQOSA-N 292.382 3.580 30 20 CHED CC(C)C#CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 820849044 CXTFKOJMSLRRLW-CYBMUJFWSA-N 269.344 3.612 30 20 CHED N#CC1(N(C(=O)/C=C/Sc2ccccc2)C2CC2)CCC1 492766339 BXOLEYQSCJSHIY-FMIVXFBMSA-N 298.411 3.730 30 20 CHED CC(CSC(C)(C)C)=NNc1nncc2ccccc12 729634082 YSYISKOWTIQCDQ-UHFFFAOYSA-N 288.420 3.949 30 20 CHED C#C[C@@H](NCc1cnccc1C)c1ccc(Cl)cc1 491671901 QYYVTOBUOIOUBZ-MRXNPFEDSA-N 270.763 3.508 30 20 CHED C#Cc1cccc(N(C(=O)/C=C\c2ccco2)C(C)C)c1 728247818 IJUXTIQFWQHBBF-KHPPLWFESA-N 279.339 3.716 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)CCCCC1 821796196 FNASQAQAPUTKMP-HZPDHXFCSA-N 293.451 3.833 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cccnc2C)c1 728787854 UTXLJWGBZFTVFL-KTKRTIGZSA-N 267.328 3.685 30 20 CHED C[C@@H]1Cc2cc(NCCCC(C)(C)C#N)ccc2O1 901448021 QPMMTEQHPQHEEQ-GFCCVEGCSA-N 258.365 3.752 30 20 CHED CC(CCC1CCCCC1)=NNCCN1CCCCC1 731925627 NOENOCFGQRAKIH-UHFFFAOYSA-N 279.472 3.798 30 20 CHED CC(C)COc1ccc(N=Cc2ccccc2O)cn1 734979639 SNCFIRJQCKOGIL-UHFFFAOYSA-N 270.332 3.573 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H]1CCC[C@H](C)C1 497407172 KGLMJBXXJBRPTR-GJZGRUSLSA-N 290.407 3.598 30 20 CHED Cc1cc(/C=C\C(=O)c2cn(C)nc2C)ccc1Cl 588410372 MOMNUIVAXVFEIK-ALCCZGGFSA-N 274.751 3.586 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccc(C)cc1O 730147029 JUSLHDHUBPFDFY-UHFFFAOYSA-N 291.354 3.507 30 20 CHED CCC(CC)NN=Cc1ccc(OCc2ccncc2)cc1 734365405 ZDTICFMPWKSZIH-UHFFFAOYSA-N 297.402 3.773 30 20 CHED Cc1cc(/C=C\C(=O)c2cn(C(C)C)nn2)ccc1Cl 901524869 IWXKJAUAMIZIPP-ALCCZGGFSA-N 289.766 3.717 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H]3CCC[C@H](C#N)C3)coc2c1 839052952 CHNUSNMNQYPPDC-DZGCQCFKSA-N 297.354 3.909 30 20 CHED COc1cccc(/C=C2/Cc3cc(F)ccc3C2=O)c1F 588619239 SWXZKDLYLTVSCY-GHXNOFRVSA-N 286.277 3.796 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C#CC(C)(C)C 837457668 JIWWLMZQLODIKB-SJKOYZFVSA-N 287.378 3.615 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 836310485 BHHSBQWWIGCFRA-XYPYZODXSA-N 299.201 3.638 30 20 CHED Cc1ccc(F)c(/C=C2\Oc3cc(O)cc(C)c3C2=O)c1 734981183 OLLBIBFHXPXEHE-CHHVJCJISA-N 284.286 3.764 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCc2cccc(Cl)c2)C1 839045397 APUMHYFZRULUOT-DZGCQCFKSA-N 291.778 3.898 30 20 CHED CCc1ncc(CNc2ccc(OC(C)C)c(C#N)c2)o1 901401479 ZBYOAZWPYZHSBS-UHFFFAOYSA-N 285.347 3.508 30 20 CHED CS[C@H](C)CCC(=O)N(O)Cc1ccccc1Cl 904190373 KXCGACYJRMHGGB-SNVBAGLBSA-N 287.812 3.590 30 20 CHED CC(C)(C)c1ccc(C(C)(C)NC(=O)C#CC2CC2)cc1 837493682 ORKOPFZUCDIREC-UHFFFAOYSA-N 283.415 3.749 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CCC[C@H]1Cc1ccccc1 835017995 SYKBCFOHLWNKGL-RDJZCZTQSA-N 286.419 3.542 30 20 CHED C=CCCC(=O)COC(=O)[C@H]1CCC[C@@H]1c1ccccc1 837862912 DHUIIDDJLKUYND-SJORKVTESA-N 286.371 3.649 30 20 CHED C=C(CNC(=O)N(C)C1CCCCC1)c1ccccc1 672423620 FUYOKZDLHZLEFW-UHFFFAOYSA-N 272.392 3.674 30 20 CHED Cc1cccn2cc(COc3cc(Cl)cc(C#N)c3)nc12 583894150 HCUWEBMGLWHDIE-UHFFFAOYSA-N 297.745 3.747 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccccc2C#N)cc1F 588618062 DFHXLUPVLBHDCD-HJWRWDBZSA-N 265.287 3.902 30 20 CHED Fc1ccc(F)c(C=NNc2cc(F)c(F)cc2F)c1 734301517 BUTFPADLTWSRJD-UHFFFAOYSA-N 286.203 3.828 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 839060926 ZYGNMWHKDQMBMY-BQDHKBFISA-N 287.334 3.555 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)Cc1ccsc1 670194741 QEKARCACNHDDSC-UHFFFAOYSA-N 290.436 3.676 30 20 CHED CCSc1cccc(CN2CCC[C@H](CC#N)C2)c1 597175250 ACPNERIBZMSQNW-CQSZACIVSA-N 274.433 3.924 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 674933638 DRVZJWVATHEDGJ-UKRRQHHQSA-N 297.402 3.631 30 20 CHED O=C(NO)c1cccc(CSc2ccc(Cl)cc2)c1 671997466 FCQRSUIIPVMRJS-UHFFFAOYSA-N 293.775 3.751 30 20 CHED C=CCOC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744042014 BGUPSSBVXSKCCQ-VXGBXAGGSA-N 271.143 3.826 30 20 CHED C=CCCSCCNC(=O)C(C)(C)c1ccc(F)cc1 597971818 HUTUTVYMGZTTLZ-UHFFFAOYSA-N 295.423 3.529 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C\c1cccc(OC)c1O 915113241 RYMSQZVYNVQMEU-WEUGLAFTSA-N 261.365 3.789 30 20 CHED CC(C)c1ccsc1C(=O)NCCc1ccc(C#N)cc1 597891155 LCNAOJRJXDSTLG-UHFFFAOYSA-N 298.411 3.716 30 20 CHED CCCCCCCC(=O)N[C@@H](C)CC(C)(C)OC 741971380 JESQBOYECCIRNS-ZDUSSCGKSA-N 257.418 3.667 30 20 CHED C#C[C@H](C)OC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 744181497 SGRJMAJPTRLBPE-LSDHHAIUSA-N 295.382 3.893 30 20 CHED C#CCNC(=O)N(CCCCC)Cc1ccc(Cl)cc1 915908316 ODOMJRSSRIPQCW-UHFFFAOYSA-N 292.810 3.675 30 20 CHED CC(=NOCC1(C#N)CCC1)c1cc2ccccc2o1 842017935 VKELWQHSJFNIPM-UHFFFAOYSA-N 268.316 3.867 30 20 CHED CCN(CCC#N)C(=O)CCCc1ccc2c(c1)CCCC2 593417354 RPGCEEOVRUGYEN-UHFFFAOYSA-N 298.430 3.650 30 20 CHED Oc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1O 746577538 WKZGHNWEMJRZLZ-UHFFFAOYSA-N 296.248 3.563 30 20 CHED C#CC[C@H](OC(=O)/C=C\c1nc2ccccc2s1)C(C)C 747195487 FNRXWDXEDQSZAG-BMSUMIBZSA-N 299.395 3.901 30 20 CHED COCCON=C1CCCSc2ccc(Cl)cc21 748789977 VGYZENNXUZGWEV-UHFFFAOYSA-N 285.796 3.593 30 20 CHED Cc1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1C#N 592986313 LYLNHEFCDGMWGR-HNNXBMFYSA-N 293.366 3.949 30 20 CHED Cc1ccc2c(c1)[C@H](NCCc1ccc(C#N)cc1)CC2 595055513 GDRHLXBFENVQMX-LJQANCHMSA-N 276.383 3.686 30 20 CHED C=CCN(C(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 915148056 SLVATLFEHDBQMA-UHFFFAOYSA-N 261.409 3.626 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC2(CCC2)CC1 594027531 QURVVKCCMPDKJQ-OAHLLOKOSA-N 296.414 3.530 30 20 CHED Cc1nc(C(C)(C)NCCc2ccc(C#N)cc2)sc1C 595383029 UNTIVEBUZULGRQ-UHFFFAOYSA-N 299.443 3.699 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@H](CC#N)C1 597901895 NUWFOVDKGXOKDJ-IAGOWNOFSA-N 298.430 3.716 30 20 CHED CCc1ccccc1NN=Cc1cc(OC)cc(OC)c1 915051654 LRWAXQQEHTVVGF-UHFFFAOYSA-N 284.359 3.712 30 20 CHED FC(F)(F)CC(=NNc1ccccn1)c1ccccc1 915945214 YLELWHRZAVFQLQ-UHFFFAOYSA-N 279.265 3.850 30 20 CHED CCCCCCCC(=O)N[C@H](C)COc1ccccc1 917775905 HMLYMTQGWCRWNO-OAHLLOKOSA-N 277.408 3.931 30 20 CHED COc1ccc(F)cc1[C@@H](C)/N=C\c1ccccc1O 915981197 NVQJCXIEMPPZQU-IPHDDYSGSA-N 273.307 3.720 30 20 CHED CCCC[C@H](C(=O)N[C@@](C)(C#N)C(C)C)C(C)C 598651391 YGKSPJVUYUOKGW-ZFWWWQNUSA-N 252.402 3.503 30 20 CHED C=C[C@H](CC(=O)OCc1cc(C2CC2)n[nH]1)c1ccccc1 848012739 PKGCCPLREITVNP-CYBMUJFWSA-N 296.370 3.690 30 20 CHED Cc1cc(C)nc(NN=C[C@@H](C)CCc2ccccc2)n1 749158464 OTWPWHCWFWTWCE-ZDUSSCGKSA-N 282.391 3.760 30 20 CHED N#CC[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 595623156 JCRBIDRTMPUHSL-CQSZACIVSA-N 297.427 3.936 30 20 CHED CCCCCCCC(=O)NC[C@H](OC)C(C)(C)C 744696893 CYXRVTLUDNPIGI-ZDUSSCGKSA-N 257.418 3.524 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 743084302 MAJJMTXBOKFISQ-DLBZAZTESA-N 282.387 3.758 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@@H](C)CCC 741641341 MRGVXYXPIRADBH-LBPRGKRZSA-N 277.339 3.603 30 20 CHED Fc1cccc(NN=Cc2cc(F)ccc2F)c1 920386325 XMXLJCLMCSMNNV-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C=C(C)[C@H](N[C@H](C)c1cn(C)cn1)c1ccc(F)c(F)c1 926205567 GBKQTJRYTNSNSP-BZNIZROVSA-N 291.345 3.666 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC12CCCC2 1333630051 VERMYUZKYXQIPK-LBPRGKRZSA-N 274.751 3.730 30 20 CHED C#CC[C@H](OC(=O)c1cc(Cl)cs1)c1ccccn1 759464538 UMEWMLPFXGHWPR-LBPRGKRZSA-N 291.759 3.718 30 20 CHED N#CCSc1ccccc1C(=O)O[C@H]1C[C@H]2CC[C@H]1C2 859601816 XZZAVEWUIOHYTP-OBJOEFQTSA-N 287.384 3.648 30 20 CHED C=C(Br)COC(=O)c1cccc(C)c1Cl 754988074 HKPVZZXGPNUVAZ-UHFFFAOYSA-N 289.556 3.714 30 20 CHED CCCCC(CC)=NNc1ccc(C(F)(F)F)nn1 754710230 WKHREPOFYNNMPB-UHFFFAOYSA-N 274.290 3.864 30 20 CHED Oc1cccc2c1CCC2=NNc1cccc(Cl)c1F 921137963 WNZSLUPUJRJLQT-UHFFFAOYSA-N 290.725 3.947 30 20 CHED C=CCNC(=S)N[C@H](c1ccccc1F)C1CCCC1 755730230 BAECMSQKLDPXSA-HNNXBMFYSA-N 292.423 3.707 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)C1CC(F)(F)C1 851141575 BGMSJKUCYJUDSQ-JQWIXIFHSA-N 258.308 3.710 30 20 CHED CC1(C)CC(=NNc2cccc(C(=O)O)c2)c2ccccc21 920356395 KNEVTCIBDUOMNU-UHFFFAOYSA-N 294.354 3.882 30 20 CHED COc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1F 921263898 KPCQIQGPVNHYTA-YRNVUSSQSA-N 286.277 3.796 30 20 CHED CCO[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccc1 851210977 XDNPMJISACORBZ-HIFRSBDPSA-N 289.375 3.636 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N(C1CC1)[C@H](C)C#N 855582304 DRBAQGUGQINEEI-UCQJPZFISA-N 288.778 3.646 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1nc(C)sc1C 756832997 XRVMJTQDJFJCDF-UHFFFAOYSA-N 293.823 3.927 30 20 CHED Cn1ccc(C(=O)OCC(C)(C)CC#N)c1-c1ccccc1 850950199 DJGMJARWXYYBLI-UHFFFAOYSA-N 296.370 3.789 30 20 CHED C#CCO[C@@H](C)c1nc(-c2ccccc2SCC)no1 858821120 XMNRANLDSPBFPH-NSHDSACASA-N 288.372 3.559 30 20 CHED C=CCC(CC=C)C(=O)OCc1ncc(C(C)C)o1 759009955 HOZFVKLTRDEZNV-UHFFFAOYSA-N 263.337 3.610 30 20 CHED C#CC[C@@H](N[C@H](C)c1cc(OC)ccn1)c1ccccc1 925632757 AMUBTNMRRQIBEU-RHSMWYFYSA-N 280.371 3.505 30 20 CHED COc1cc(F)cc(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)c1 759212506 HVPLTZFIAVXLFK-MEBBXXQBSA-N 288.322 3.997 30 20 CHED CCCCCCCN(C)[C@H](c1ccccc1)c1nc[nH]n1 852150790 CZDLSIXFQZMRSR-MRXNPFEDSA-N 286.423 3.796 30 20 CHED C=CCCCCCCCNC(=O)c1cccc(O)c1 752987477 VRYLHYRJFMODJM-UHFFFAOYSA-N 261.365 3.649 30 20 CHED CCCc1nc(C)c(NC(=O)c2cc(C#N)ccc2C)s1 935477998 VFVNOUOWHKBEIF-UHFFFAOYSA-N 299.399 3.836 30 20 CHED CC(=NO[C@H]1CCCCO1)c1sc(C(C)C)nc1C 755825609 YQAAUEWMEWFQFK-LBPRGKRZSA-N 282.409 3.842 30 20 CHED N#C[C@@H](OC(=O)[C@@H]1CCNc2ccccc21)C1CCCCC1 850030614 OZLOPUCQTFAFGS-NVXWUHKLSA-N 298.386 3.601 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c(OC)cccc1OC 755754970 VMQXDYDKYQBIOD-CQSZACIVSA-N 292.423 3.986 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)c(F)c2)c(C)n1C 754950941 WFCAYYATWRCDDM-UHFFFAOYSA-N 281.281 3.505 30 20 CHED CCn1nccc1/C=C\C(=O)c1cc(C)c(F)c(C)c1 753717996 SPXFKLASWYLPFO-WAYWQWQTSA-N 272.323 3.555 30 20 CHED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(F)cc1O 757474711 DFXSXWPUACGACM-ORCRQEGFSA-N 292.693 3.786 30 20 CHED COc1cccc2c1C/C(=C/c1cnc(Cl)c(C)c1)C2=O 760265402 NQMFHNLMMNKAFQ-GHXNOFRVSA-N 299.757 3.874 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(N)cc1C 769839662 FOBAVCMYJSGMIG-UHFFFAOYSA-N 271.339 3.861 30 20 CHED C#CCCc1noc([C@@H](C)Cc2ccccc2Cl)n1 762017750 MKGQZBJAAFOLLQ-NSHDSACASA-N 274.751 3.635 30 20 CHED CC(=NOCC(F)(F)F)c1ccc(F)cc1Cl 764844994 ORQYBQOTLVEIJY-UHFFFAOYSA-N 269.625 3.782 30 20 CHED C[C@H](CC#N)OC(=O)c1cc(C(F)(F)F)ccc1Cl 860546054 XHXITIOKWUIVTO-SSDOTTSWSA-N 291.656 3.818 30 20 CHED CC(C)Oc1ccc(N[C@@H](C)C[C@H]2CCOC2)cc1C#N 768518939 JIBSWXWITVBMDV-UONOGXRCSA-N 288.391 3.572 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc(F)c([N+](=O)[O-])c1 769822825 SGURQANINJTBPG-GHMZBOCLSA-N 279.315 3.958 30 20 CHED C#C[C@H](C)N(C)C(=O)CSc1ccc(C(C)(C)C)cc1 767232540 XDDHDNXOGWFHQE-ZDUSSCGKSA-N 289.444 3.556 30 20 CHED C=CCCOCC(=O)O[C@H](C)c1c(C)cccc1C 765981172 VXSFZMKGPZCCDK-CQSZACIVSA-N 262.349 3.500 30 20 CHED CC1(C)CCC/C(=C/c2ccc(F)c(C(=O)O)c2)C1=O 863186623 FHIKLTXWUHMWRQ-FLIBITNWSA-N 276.307 3.687 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1cccc(OC(C)(C)C)c1 865217584 IRTRGVSOCAJKSE-KTKRTIGZSA-N 298.386 3.802 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(C(F)(F)F)cn1 768877645 JMRHZKZASSAYNS-ZDUSSCGKSA-N 287.281 3.746 30 20 CHED C#Cc1ccc(-c2nc(-c3ccc(C(C)C)cc3)no2)nc1 761372645 RIDCKXRUBKIPSO-UHFFFAOYSA-N 289.338 3.903 30 20 CHED CC#CCCCC(=O)OCc1ccc(OC)c(Cl)c1 767113809 DBWAEJBKEOSCBN-UHFFFAOYSA-N 280.751 3.585 30 20 CHED Fc1ccc(C=NNCC(F)(F)F)c(Cl)c1Cl 761826315 ABOUCCRHGPSFED-UHFFFAOYSA-N 289.059 3.618 30 20 CHED C#CCCCCCC(=O)OCc1ccc(C(F)(F)F)cn1 768844119 CRKUFRWRBQYUTI-UHFFFAOYSA-N 299.292 3.727 30 20 CHED CCCCCCCCCNC(=O)c1ccncc1C 771095295 XRPNIANTBZCJDE-UHFFFAOYSA-N 262.397 3.870 30 20 CHED Cc1ccc(C(C)C)c2c1C(=O)/C(=C/c1ccn(C)n1)CO2 773159592 ILNOMLCYITWGOV-UKTHLTGXSA-N 296.370 3.511 30 20 CHED Cc1cnc(CN(CC(C)C)c2ccc(C#N)cc2)s1 772202247 SLVYKEUSKJTMNC-UHFFFAOYSA-N 285.416 3.986 30 20 CHED Cc1ncc(CCN[C@@H]2CCCc3cc(C#N)ccc32)s1 775416154 VAGKBZZEMWTZQI-QGZVFWFLSA-N 297.427 3.533 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(C#N)cc1F 772843586 CIPBJHHMPKMANO-ZDUSSCGKSA-N 275.371 3.980 30 20 CHED C#CCCCCCC(=O)OCc1ncc(-c2ccccc2)o1 779904041 ZKRRSSBYRSPPIH-UHFFFAOYSA-N 297.354 3.969 30 20 CHED Fc1cc(NN=CCSCc2ccccc2)ccn1 774409130 JZDBVJDTTCLBOU-UHFFFAOYSA-N 275.352 3.552 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(C(F)(F)F)cc1 776361246 MEXSGDKDSLYQOX-UHFFFAOYSA-N 285.265 3.802 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)cc2C)cc1F 776789379 HQHLUNYDHDPNIB-UHFFFAOYSA-N 298.361 3.646 30 20 CHED COc1ccc(/C=C\C(=O)c2cscn2)c(Cl)c1 776192412 JMOVPSBETNXHRP-HYXAFXHYSA-N 279.748 3.701 30 20 CHED C=CCOc1ccccc1CNC(=O)/C(C)=C(/C)CC 779931402 UYHQJISISSWATA-YPKPFQOOSA-N 273.376 3.614 30 20 CHED CC(=NNc1ccccc1)c1ccc(C#N)c(F)c1 776758779 YIZJDAOCANANPI-UHFFFAOYSA-N 253.280 3.533 30 20 CHED C=C(Cl)CN[C@H](CC)c1ccc(N(C)C)cc1 773005210 QFVFGDWIHWQMGF-CQSZACIVSA-N 252.789 3.546 30 20 CHED C#CCOc1ccccc1CNc1cc(C)n([C@H](C)CC)n1 776258786 VQSDVFZMBMPMLP-CQSZACIVSA-N 297.402 3.787 30 20 CHED C#CCCCCCC(=O)N1CCCc2c(C)ccc(F)c21 779927898 CIRIZHTZLMEBFP-UHFFFAOYSA-N 287.378 3.997 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@@H](C)CC(C)C 775939029 JFVZQAWGYVVVPY-AWEZNQCLSA-N 273.376 3.709 30 20 CHED CS[C@H](C)CCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 773762019 XVLXNCXGMSCIPJ-OCCSQVGLSA-N 298.411 3.943 30 20 CHED C#CCCCCC(=O)N[C@H](c1cccs1)C1CC1 773209392 NTYGACNSUGAVSU-HNNXBMFYSA-N 261.390 3.509 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)C[C@H](C)c1ccc(F)cc1F 1121161723 WLKYHYIWYUFFDI-AAEUAGOBSA-N 294.345 3.609 30 20 CHED Cc1ccnc(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 776770281 RQMBIYHPYWPTEG-NSHDSACASA-N 255.296 3.574 30 20 CHED C#CCCCCC(=O)N1CCC(c2ccccc2F)CC1 773301688 DNVSSSKECYSETO-UHFFFAOYSA-N 287.378 3.725 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1cc(C)ccc1O 776190683 XXCUINXMVVQCTE-CSKARUKUSA-N 298.338 3.614 30 20 CHED CC(=NNCCC(C)(C)C)c1ccc(C#N)cc1Cl 788439265 QQZDMGRPVJILOL-UHFFFAOYSA-N 277.799 3.961 30 20 CHED C[C@@H](C=NN[C@H](CO)c1ccccc1)CCc1ccccc1 788461648 SANPNUIHAQBXQK-VQIMIIECSA-N 296.414 3.564 30 20 CHED Cc1ccc(C(=O)OCCCCC#N)c(Cl)c1C 783270496 VPVMQHUKJMZNMK-UHFFFAOYSA-N 265.740 3.808 30 20 CHED Cc1cc(C=NN[C@@H](Cc2ccccc2)C(C)C)sn1 785462464 UJKUCDURIPJVQJ-INIZCTEOSA-N 287.432 3.642 30 20 CHED CC(C)[C@@H](F)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 784147848 ZRKMTAFZBYDKDU-LSDHHAIUSA-N 290.382 3.659 30 20 CHED CC(C)(C#N)CCCOC(=O)c1coc(-c2ccccc2)n1 783742222 BNCICPKFIHRUNS-UHFFFAOYSA-N 298.342 3.828 30 20 CHED C=CCCCC(=O)OC[C@@H]1CCC2(CCCCC2)O1 786298243 GITIPDBIVQHJEU-AWEZNQCLSA-N 266.381 3.768 30 20 CHED C=CCOC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 784835834 JZSITWHMNYTEQB-UHFFFAOYSA-N 297.232 3.703 30 20 CHED C=C1CCC(c2nc([C@@H](C)OCC(F)(F)F)no2)CC1 896617589 WURMWPGVWIGIAQ-SECBINFHSA-N 290.285 3.923 30 20 CHED N#Cc1csc(C(=O)OC[C@@H]2CCc3ccccc3C2)c1 781662840 FMXIBFQFAZATBH-GFCCVEGCSA-N 297.379 3.582 30 20 CHED N#CCCN(Cc1csc(-c2ccco2)n1)CC1CC1 81514881 TWBWOKXPFKLKFK-UHFFFAOYSA-N 287.388 3.529 30 20 CHED Cc1cccc(C)c1C=NNc1ccc2c(=O)[nH]ccc2c1 789070974 OBUFDEKJCHVQOS-UHFFFAOYSA-N 291.354 3.591 30 20 CHED Fc1cc(C=NNC2CCCCC2)ccc1Cl 786039546 FARZTOYGWMMEEC-UHFFFAOYSA-N 254.736 3.735 30 20 CHED CCCCc1nnc(S)n1N=C[C@H]1CCCC[C@@H]1C 783798823 JBCKDDRVLOPPIQ-NWDGAFQWSA-N 280.441 3.570 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1nc(C2CC2)cs1 784696811 GIPVTAOQSAKNDJ-SECBINFHSA-N 278.377 3.565 30 20 CHED N#CCOC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 789197002 UMAWXTKUNDSEOF-UHFFFAOYSA-N 295.216 3.646 30 20 CHED Cc1ccccc1CN(C)Cc1ccc(F)cc1C#N 103138719 LGADFJNKRZKTFF-UHFFFAOYSA-N 268.335 3.638 30 20 CHED N#Cc1cccc(N2CCCC3(CCCCC3)CC2)n1 302781013 ROXAZWVFAAMIGW-UHFFFAOYSA-N 269.392 3.894 30 20 CHED COc1ccc2c(c1OC)O/C(=C\c1cccc(C)c1)C2=O 799500752 FNBTUNAYLXZHNV-GDNBJRDFSA-N 296.322 3.628 30 20 CHED Cc1ccc(C)c(NC(=O)Nc2sccc2C#N)c1 1202758503 BNBWONLWPIGAAB-UHFFFAOYSA-N 271.345 3.881 30 20 CHED C[C@H](ONC(=N)c1cccc(Cl)c1)c1ccc(C#N)cc1 794716550 UYZYCLRVFZBCGI-NSHDSACASA-N 299.761 3.819 30 20 CHED CC(C)(C#N)CCON=Cc1ccc(Br)cc1 799961008 XVWKQNYDXCOLIU-UHFFFAOYSA-N 295.180 3.739 30 20 CHED Cc1cc(CNc2ccc(F)c([C@@H](C)O)c2)ccc1C#N 796518779 LCDUHALGCDCHER-GFCCVEGCSA-N 284.334 3.671 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)CC(C)(C)O3)no1 798230414 NHPFTSICTOWJGV-XQRVVYSFSA-N 283.327 3.593 30 20 CHED COc1ccc2cc(/C=C\C(=O)OCCCC#N)ccc2c1 791460660 PDIWWBKHHQBPPB-UITAMQMPSA-N 295.338 3.709 30 20 CHED Fc1ccccc1NC(=S)NN=C1CCC2(CC1)CC2 792627044 GZINFGVNFUREOE-UHFFFAOYSA-N 291.395 3.822 30 20 CHED CS[C@@H](C)CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567670 ADBXPNDAGTVBBU-UWVGGRQHSA-N 296.461 3.758 30 20 CHED COC(=O)c1cc(NN=C[C@@H]2CC=CCC2)ccc1C 793098345 RKHUZDYNYHNJBT-CYBMUJFWSA-N 272.348 3.536 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1CSCCS1 793534125 OLNKSVCAYMMGAX-UONOGXRCSA-N 273.511 3.950 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H](C)CC(C)C)n1 799109935 OSONPUIBPNBDRW-SECBINFHSA-N 254.765 3.518 30 20 CHED CCCCCCCCN(C)Cc1cccc(C(N)=O)c1 740875382 WVDZZYMDLNXTPR-UHFFFAOYSA-N 276.424 3.578 30 20 CHED C=CC1CCN(Cc2c(O)ccc(Cl)c2F)CC1 792167717 OMPOBUKTNGPMKS-UHFFFAOYSA-N 269.747 3.583 30 20 CHED C#CCN(Cc1sc(C)nc1C)C1CCCCC1 741781191 LVCXTMMYVLXSNV-UHFFFAOYSA-N 262.422 3.528 30 20 CHED N#Cc1cccc(C(=O)OCc2cccc(C(F)F)c2)c1 791760257 LIRYSGRKPYVZSO-UHFFFAOYSA-N 287.265 3.853 30 20 CHED Fc1cccc(NN=C2CC[C@@H]3CCCC[C@H]3C2)n1 795009958 QMNKXUUICBYZCP-RYUDHWBXSA-N 261.344 3.979 30 20 CHED C=C(C)CN(CC)Cc1nc(Cl)ccc1Cl 766106256 BQJILTJLEFJBSC-UHFFFAOYSA-N 259.180 3.786 30 20 CHED Cc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1F 96874341 YOSDIVFFXVUIBC-UHFFFAOYSA-N 251.264 3.549 30 20 CHED Cc1ccc([C@H]2CCCCN2c2cc(C#N)nc(C)n2)cc1 1306985031 LRTNJCAIDWKMPM-QGZVFWFLSA-N 292.386 3.697 30 20 CHED N#Cc1cnc(Nc2ccc(OC(F)F)c(F)c2)c(F)c1 1162200141 DOHLWLDWDNKGRD-UHFFFAOYSA-N 297.211 3.576 30 20 CHED CC(C)[C@H](NC(=O)c1csc(C#N)c1)c1ccccc1 1328233026 MTOBBRBICYJAGN-HNNXBMFYSA-N 284.384 3.747 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 1324561031 OKRRRENAUWGZAH-DOTOQJQBSA-N 295.426 3.848 30 20 CHED C=CC[C@@H]1N(C(=O)c2nc(C)cs2)CCCC1(C)C 1321175160 LXGKOFZGUGAYOX-LBPRGKRZSA-N 278.421 3.658 30 20 CHED N#CCOc1ccc(NCc2nccc3ccccc23)cc1 1320522915 SFLGNPWIKWOXTA-UHFFFAOYSA-N 289.338 3.749 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1csc(C#N)c1 1326419025 XSTBMMVCDLCYSB-LLVKDONJSA-N 264.394 3.564 30 20 CHED C#CCCCc1nnc(-c2ccc(Br)s2)o1 1326973880 YTBSJMCBGKKBHC-UHFFFAOYSA-N 297.177 3.517 30 20 CHED CC#CCCNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1254715302 VORYJPPFZPLEMQ-UHFFFAOYSA-N 298.213 3.801 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)c1cnccn1 1330863257 WBOGKRYZQALQHN-CQSZACIVSA-N 277.412 3.795 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1ccc(F)cc1F 1346350389 HGMBWUOPRUSBBQ-WDEREUQCSA-N 295.329 3.940 30 20 CHED N#CCOc1cccc(CN[C@H](C2CCCC2)C2CC2)c1 1347935211 JYGNBRSUMMYJDS-GOSISDBHSA-N 284.403 3.647 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1csc(C#N)c1)C1CC1 1347769912 ANDVXOZEQUSZJF-INIZCTEOSA-N 296.395 3.809 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(-c2ccc(OC)cc2)o1 1262712237 YBBRMHVGTRAVQK-CQSZACIVSA-N 299.374 3.680 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CCC[C@@H]1CC 1342878849 APHMAZDHMLBBMB-STQMWFEESA-N 294.468 3.657 30 20 CHED CCCCCCCCOCC(=O)N1C[C@H]2CCCC[C@H]21 1355052225 WFJNDNGSDQSELI-HZPDHXFCSA-N 281.440 3.765 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)C1 1436649075 LCUMGDJPUNFQDH-LEOABGAYSA-N 275.392 3.828 30 20 CHED C=CCCC(=O)N(CC(C)(C)C)c1cccc(C)n1 1353447358 QUDHKKQVHAOAHN-UHFFFAOYSA-N 260.381 3.735 30 20 CHED CC(C)[C@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 221385428 SGFISBHMSXALGR-DLBZAZTESA-N 256.393 3.863 30 20 CHED C[C@@H](Cc1cccs1)Nc1c(F)cc(C#N)cc1F 111143137 NVMHYLSRHVIOFA-VIFPVBQESA-N 278.327 3.941 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)oc1C 1460924590 ZYMJURDEPZQEPP-ZIAGYGMSSA-N 288.391 3.796 30 20 CHED N#Cc1ccc(CNc2ccccc2OCCF)cc1F 1462264075 IONCJZRPJCNPCB-UHFFFAOYSA-N 288.297 3.658 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccncc1C#N 1472883891 KJQDMZGUFPEBLM-YOEHRIQHSA-N 277.371 3.726 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1ccc(C#N)cc1Cl 227101336 MXOAQDBIZXJQKE-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(N(C)Cc2cc3ccccc3o2)c(C#N)cn1 1559128911 KXKJOZMYZYLVJX-UHFFFAOYSA-N 277.327 3.644 30 20 CHED CC[C@H]1CCCC[C@H]1CNCc1cc(C#N)cs1 1620953496 NFNFSPZPNJTZOQ-KBPBESRZSA-N 262.422 3.926 30 20 CHED CC[C@H]1CCc2ccccc2N1Cc1cc(C#N)ccn1 1559637782 ZYAFWMANWOHRAZ-KRWDZBQOSA-N 277.371 3.685 30 20 CHED C=C(Cl)CN1CCC[C@H]1c1ccc(F)cc1F 1658992954 DJDKRQVDAJDLMR-ZDUSSCGKSA-N 257.711 3.854 30 20 CHED Cc1cc(=N[C@H](C)CC(C)(C)c2ccccc2)c(C#N)c[nH]1 1651448512 OLNWSLVEPKTRNQ-OAHLLOKOSA-N 293.414 3.852 30 20 CHED CCc1cccc2c1N(Cc1cccc(C#N)c1F)CC2 1652795874 KXKYZFDGORSLCN-UHFFFAOYSA-N 280.346 3.822 30 20 CHED C=CCCCN(CC)[C@@H](C(=O)O)c1c(F)cccc1Cl 1588801380 KQFJRZHCRRGYMK-CQSZACIVSA-N 299.773 3.893 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CC1(C)C 1656473513 UROVUZIOSZMPSD-DZGCQCFKSA-N 260.356 3.612 30 20 CHED CC(C)CC1(CNCc2cc(C#N)n(C)c2)CCCC1 232315553 AKDRIBFLDBPVDX-UHFFFAOYSA-N 273.424 3.593 30 20 CHED CN(C)c1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1 13675256 VDXYEGLOBGVAHQ-RVDMUPIBSA-N 293.366 3.671 30 20 CHED Cc1ccc(/C=C2/Cc3c(O)cccc3C2=O)cc1C 206967629 YXWWCWKOKRXREL-ZROIWOOFSA-N 264.324 3.831 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)oc1C 158750877 SBFDBRMKHICPQA-ZDUSSCGKSA-N 288.734 3.545 30 20 CHED C=C(C)COCCN[C@H]1CC[C@@H](C)c2ccccc21 163518447 HJQVFIFJWAAENF-PBHICJAKSA-N 259.393 3.807 30 20 CHED CCCCCCCCCC(=O)NCC(C)(C)C#N 167194703 KQKQHQOUTVTNEE-UHFFFAOYSA-N 252.402 3.793 30 20 CHED C=CC1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 151306218 MSXBKMPULQVPRE-KRWDZBQOSA-N 297.402 3.639 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 156168094 CCZWOQMIMJIQEH-NSHDSACASA-N 298.346 3.519 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1Cl 157620482 LYTTXFIKZNANJA-ABAIWWIYSA-N 288.778 3.616 30 20 CHED C=CCN(C)C(=O)c1cccc(N[C@H](C)C(C)C)c1C 154152368 CYGRCBJCXKZFSM-CQSZACIVSA-N 274.408 3.709 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H]3CCCC[C@H]3C2)n1 250960959 ICWCTGGTXNPRGL-CABCVRRESA-N 269.392 3.587 30 20 CHED Cc1nc([C@@H](C)Nc2ccc(OCC#N)cc2)cs1 36915281 QOJQUMFWCUTTOL-SNVBAGLBSA-N 273.361 3.527 30 20 CHED C[C@H](CCc1ccco1)Nc1ccc(CC#N)cc1 37071537 FHXJWJFHEBZNOI-CYBMUJFWSA-N 254.333 3.779 30 20 CHED Cc1csc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 344552050 GDRTUMLESVKJBM-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1ccc(Cl)c(C#N)c1 58477086 VEUUHANVESCVSQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCC(C)(C)CNC[C@H](O)c1ccc(Cl)cc1 311076270 NIWFYKDHXZJIMD-AWEZNQCLSA-N 267.800 3.565 30 20 CHED C[C@H]1CCN(Cc2ccc(CC#N)cc2)C[C@H](C)C1 543140244 QKCQDGFAGBSLEE-LSDHHAIUSA-N 256.393 3.621 30 20 CHED C=C[C@@H](C)N[C@@H]1CCCc2c(Br)cccc21 336745308 QPSLHZVERGZQBQ-QMTHXVAHSA-N 280.209 3.991 30 20 CHED N#Cc1ccc(CNC(C2CCC2)C2CCC2)cc1 336808350 BQJDJXDBIMRBKU-UHFFFAOYSA-N 254.377 3.617 30 20 CHED CCCCCCCCNC(=O)C1(C#N)CCCC1 107045482 YIWODTXJMCXLFV-UHFFFAOYSA-N 250.386 3.547 30 20 CHED CCSc1cccc(CNCC2(C#N)CCC2)c1 418141595 LIXPQANODKUNDD-UHFFFAOYSA-N 260.406 3.582 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)Cc1ccccc1F 178380050 YGXNRRDZTSEQOP-LBPRGKRZSA-N 296.345 3.823 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H]1c1cccc(C)c1 173718867 RZHDJAWPQMQGDE-KRWDZBQOSA-N 287.403 3.641 30 20 CHED C[C@@H](NC(=O)c1sccc1C1CC1)c1ccc(C#N)cc1 67160710 AUQCPPBHKVPPLR-LLVKDONJSA-N 296.395 3.988 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 103249784 HPYLAFDMAZCFLV-TZIYXEQSSA-N 277.323 3.874 30 20 CHED COc1ccc([C@H](C)[C@H](C)NCc2cccc(C#N)c2)cc1 177579436 RJLYITYLIVCXPE-CABCVRRESA-N 294.398 3.849 30 20 CHED C=CCCCC(=O)N(Cc1ccc(C#N)cc1)C(C)C 177778928 RWBISXFTCLRRFM-UHFFFAOYSA-N 270.376 3.652 30 20 CHED C=CC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 110363468 HRIYPXWNGUFDQP-LBPRGKRZSA-N 293.794 3.532 30 20 CHED N#Cc1csc(CNCc2cccc(OC(F)F)c2)c1 177696973 GNRSGJFINVZBAI-UHFFFAOYSA-N 294.326 3.511 30 20 CHED C=CCCCC(=O)NC[C@H](C)Oc1ccccc1Cl 175968836 IGZDTWLTWXLRPM-LBPRGKRZSA-N 281.783 3.580 30 20 CHED CSCC[C@H](C)N(C)c1ccc2cc(C#N)ccc2n1 301802001 CONRVSVZCVOMBM-LBPRGKRZSA-N 285.416 3.684 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2ccc(Cl)c(C#N)n2)o1 67368735 HUHXYHQBIGFQHI-GXSJLCMTSA-N 287.750 3.935 30 20 CHED C=CCN(CC=C)C(=O)CCSc1ccc(C)c(C)c1 301683169 IABWNTQQXPISPB-UHFFFAOYSA-N 289.444 3.986 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 301422887 CQOBPCJUQQAQLO-PBHICJAKSA-N 277.371 3.583 30 20 CHED C[C@H](C(=O)N(CC#N)C1CCCC1)c1ccc(Cl)s1 176683102 RKUUMUVSOJHWKE-JTQLQIEISA-N 296.823 3.800 30 20 CHED C[C@@H](CNCc1ccc(C#N)s1)Sc1ccccc1 176978498 UXBTWJKWPYAYFM-LBPRGKRZSA-N 288.441 3.890 30 20 CHED C=CC1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 409688661 PBKMEMOLFOAESK-UHFFFAOYSA-N 283.415 3.995 30 20 CHED Cc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1[N+](=O)[O-] 172044987 BNOZTZYBOKGSSN-MLPAPPSSSA-N 297.285 3.865 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1c(Cl)cnn1C)CC2 122706536 VUVQPRZAHJANQG-WQLSENKSSA-N 286.762 3.594 30 20 CHED C=CCC[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)C1CC1 120490944 GLWZOYJXODHYSB-QGZVFWFLSA-N 299.393 3.846 30 20 CHED CC(C)COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccco1 185806203 FQKUQAJCMFQCOF-JYJNAYRXSA-N 290.407 3.665 30 20 CHED N#C[C@@H](C(=O)C1=CCCCCC1)c1nc2ccccc2[nH]1 122689614 OAOYYCHAASCIQM-ZDUSSCGKSA-N 279.343 3.630 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccccc1C#N)C2 121202018 NJCZWUSLPYEAGB-SXGWCWSVSA-N 259.308 3.689 30 20 CHED COc1cc(CCNc2ccc(C#N)cc2)ccc1C 301378154 XDUYUHOEWCVDHG-UHFFFAOYSA-N 266.344 3.530 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)c1ccccc1F 37764655 OFAGUQVZGPPXGN-ZDUSSCGKSA-N 284.334 3.579 30 20 CHED N#Cc1c(F)cccc1OCc1c(F)cccc1F 129859569 UTEAVFIBCLOKIB-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CCCCCCCN1CCC[C@@H]1[C@@H]1CCC[C@H]1O 253087945 DTJGAHTYANNDBC-ARFHVFGLSA-N 253.430 3.582 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CC1(C)C)c1ccccc1 412508977 ZELOTOWTUJJPBD-GJZGRUSLSA-N 257.377 3.651 30 20 CHED CC(C)C(CNC(=O)NCC(C)(C)CCC#N)C(C)C 502577774 UGQNIAXKTFBOOM-UHFFFAOYSA-N 281.444 3.544 30 20 CHED N#CCc1cccc(NC(=O)[C@H]2CSc3ccccc32)c1 313451575 SCGRXHDCNJAZTJ-HNNXBMFYSA-N 294.379 3.581 30 20 CHED CC#CCCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 185327751 ABYCSIRZBOMKIC-QGZVFWFLSA-N 297.402 3.570 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)c1nc(C(F)(F)F)ccc1C#N 78833488 OSGQKXFUCCOKMG-JQWIXIFHSA-N 297.324 3.987 30 20 CHED COc1ccsc1C(=O)/C=C/c1cnn(CC(C)C)c1 184767998 SWJPQQOVRMSPQS-SNAWJCMRSA-N 290.388 3.505 30 20 CHED C=CCCC[C@H](C)NC(=O)c1scnc1C(C)(C)C 182610660 QQCXFWIZWRAUME-NSHDSACASA-N 280.437 3.915 30 20 CHED C=CCN(CC=C)C(=O)NCC(C)(C)c1ccc(C)cc1 502980294 MPEKPOXXFYRIOH-UHFFFAOYSA-N 286.419 3.656 30 20 CHED C=CC[C@H](CC)NC(=O)CCC(=O)c1ccc(Cl)cc1 410137739 XRKAPDJOAUYHCA-AWEZNQCLSA-N 293.794 3.774 30 20 CHED N#Cc1ccc(NC2CC(c3ccccc3)C2)c([N+](=O)[O-])c1 316089784 MBDOONLYHWEFPC-UHFFFAOYSA-N 293.326 3.825 30 20 CHED C=CCC1(CN[C@@H](C)c2cc3n(n2)CCC3)CCCC1 414155092 UYMOLUGVMHAQIB-AWEZNQCLSA-N 273.424 3.616 30 20 CHED Cc1cc(CNCc2sccc2C)ccc1C#N 443978286 HCWYWFAJVMPLRS-UHFFFAOYSA-N 256.374 3.526 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cc(F)ccc1F 505240924 XDYHMQQQJBMKHG-LLVKDONJSA-N 299.386 3.870 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 410830026 SYKUXZYTBHYKNO-JJXSEGSLSA-N 294.439 3.511 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cc(COC(C)(C)C)on1 186818541 IQTONWIOCKCIJT-CHWSQXEVSA-N 280.412 3.680 30 20 CHED CC(C)c1ccccc1-n1ccnc1S[C@@H](C)C#N 73416034 RSATYEGOODTKJE-LBPRGKRZSA-N 271.389 4.000 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 134442282 YPHKATHLFKHSLO-DODZYUBVSA-N 296.414 3.721 30 20 CHED C[C@H](NC(=O)Cc1ccccc1Cl)c1cccc(C#N)c1 75277149 LJLTXEJFVKJUGW-LBPRGKRZSA-N 298.773 3.632 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)[C@H]1CCCC[C@H]1C 84095105 IOAIHAZKKHTOTK-YPMHNXCESA-N 276.405 3.661 30 20 CHED CC(C)C(=O)Nc1ccc(OCc2ccccc2C#N)cc1 84915439 KHJQJXZTKMYVKU-UHFFFAOYSA-N 294.354 3.732 30 20 CHED COc1ccc2c(c1)C(C)(C)C[C@@H]2NCC(C)(C)CC#N 414169440 RTXRHTNMLOUWNS-INIZCTEOSA-N 286.419 3.947 30 20 CHED Cc1nc(C)c([C@@H](C)NCC(C)(C)CCC#N)s1 229692372 YSBFWHDRSCRAJR-SNVBAGLBSA-N 265.426 3.741 30 20 CHED CC#CCCNCc1ccc(C(F)(F)F)c(C)c1 414435762 RZMCWRLYDJXXKO-UHFFFAOYSA-N 255.283 3.517 30 20 CHED CC(C)CC(C)(C)C(=O)N[C@H](C)c1ccc(C#N)cc1 84524000 GBFHAJNPWOUKAL-CYBMUJFWSA-N 272.392 3.808 30 20 CHED N#Cc1ccc(OC(=O)CCc2ccc(Cl)s2)cc1 44259400 AFTNBTMKBWGDQT-UHFFFAOYSA-N 291.759 3.811 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 88305159 QCAIQMAZZYMWIO-SNAWJCMRSA-N 289.237 3.769 30 20 CHED Cc1cc([C@H](C)/N=C(/O)[C@@H](C)c2cncnc2)c(C)s1 328775566 KQWGDLLUROBRCT-QWRGUYRKSA-N 289.404 3.976 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccccc1Br 191791468 NPNGXESWBAYVRI-ZDUSSCGKSA-N 282.181 3.990 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)s2)oc1C 421880071 NZJLPSJSIRRVJW-JTQLQIEISA-N 260.362 3.680 30 20 CHED C=C(C)CNc1cc(F)c(Br)cc1F 229064964 KDUIUQGQFCTHAA-UHFFFAOYSA-N 262.097 3.715 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(F)cc2F)no1 424366249 WOYYRMYDOYFHMD-UHFFFAOYSA-N 264.275 3.869 30 20 CHED CC(C)(/C(O)=N/Cc1noc(C2CC2)n1)C1CCCC1 328932608 DMUMOYYTCDBTCX-UHFFFAOYSA-N 277.368 3.620 30 20 CHED CSc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)cc1 49151586 ZGCXSWCAIAXMRF-JXMROGBWSA-N 286.400 3.655 30 20 CHED CC1(C)[C@@H](Oc2ccccc2)C[C@H]1N[C@@H]1CC[C@H](C#N)C1 424320279 FZNGDIYGQZCVGF-ABFRBSLYSA-N 284.403 3.514 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@@H]2CC[C@H](C)C2)c1 429752872 PTAGCXHQYDIVSM-DZGCQCFKSA-N 288.391 3.904 30 20 CHED O=S(=O)(/N=C(\O)CCC1CCCCC1)C1CCCC1 86055643 DIWNLMHDEWBWID-UHFFFAOYSA-N 287.425 3.576 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2)c(C(F)(F)F)o1 335750230 YCTRFYVAYVFSHP-UHFFFAOYSA-N 294.232 3.731 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(-c2cccc(C)c2)c1C 337076879 SPPTYDOTVXRUFI-HNNXBMFYSA-N 297.402 3.574 30 20 CHED CC(=O)c1c(C)[nH]c(/C(O)=N/[C@@H](C#N)C(C)C)c1C(C)C 331000036 QAXWIXRFQGOLSE-LBPRGKRZSA-N 289.379 3.502 30 20 CHED CN(Cc1cccc(O)c1)c1ccc(Cl)cc1C#N 530327503 MXKJDBFKMYXYOB-UHFFFAOYSA-N 272.735 3.554 30 20 CHED Cc1csc(NC(=O)C2CC(C(C)(C)C)C2)c1C#N 331809680 UIVSMYBCEBRDBO-UHFFFAOYSA-N 276.405 3.939 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(OCC)cc1 424541651 VIYJYFGQTLTSLA-UHFFFAOYSA-N 275.392 3.646 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 333222728 MORZOBGBVNWICV-RDJZCZTQSA-N 295.386 3.519 30 20 CHED CN(/C(O)=N/CC(C)(C)CCCO)C1CCC(C)(C)CC1 330661154 RDOYPSFVFHLHMQ-UHFFFAOYSA-N 298.471 3.600 30 20 CHED C[C@@H](CCSc1ccccc1)N1CCC(F)(C#N)CC1 510969648 QJZYFSAVVNQMIJ-AWEZNQCLSA-N 292.423 3.885 30 20 CHED CC1=CCCN(Cc2cccc(OCCCC#N)c2)C1 437346717 LHNGHAKJBHUKPT-UHFFFAOYSA-N 270.376 3.521 30 20 CHED CC1(C)C[C@H](N[C@H]2CCC[C@H](C#N)C2)c2cc(N)ccc2O1 332205685 HCWBROHVPAEZGA-NOLJZWGESA-N 299.418 3.543 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C)c(C)cc1C 435737677 KPAYCKZRIJZNHV-AEFFLSMTSA-N 273.420 3.683 30 20 CHED CCS[C@@H]1CCCC[C@H]1Nc1nccc(C)c1C#N 343523516 GUJAJPNGXQCRNQ-ZIAGYGMSSA-N 275.421 3.738 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 245422643 ACSIERODDKVACJ-WUHRBBMRSA-N 288.416 3.879 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CC12CC2 527909673 LEVSXNNANOSLLU-JCURWCKSSA-N 266.388 3.714 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](Nc2ccccc2)C1 246436404 UDGGDDWDSHPPSI-HNAYVOBHSA-N 291.398 3.806 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H](C)c2ccco2)n1 528202410 LJAITNMSNDKHHM-LLVKDONJSA-N 260.337 3.863 30 20 CHED C=CCn1c(S[C@@H](C)C(C)C)nnc1-c1ccncc1 430097322 BUMCLVDLXRYZQW-LBPRGKRZSA-N 288.420 3.663 30 20 CHED Cc1cc(CNc2c(C#N)nnc3ccccc23)ccc1F 524843007 VOXZDYGNMMHUAT-UHFFFAOYSA-N 292.317 3.561 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(CC#N)cc1 340036626 QVRQFXOBGVGVJP-ZDUSSCGKSA-N 296.345 3.725 30 20 CHED C[C@H]1CN(CCCCC#N)CC[C@H]1c1ccccc1 246937081 QPCBLXAULHPFNR-DOTOQJQBSA-N 256.393 3.806 30 20 CHED C=CC[C@H](C)NC(=O)NCC(C)(C)Cc1ccccc1 605018761 WFASKKNKMIDWTK-AWEZNQCLSA-N 274.408 3.519 30 20 CHED C=CCC(C)(C)c1noc(-c2cn(C)nc2-c2ccoc2)n1 340768493 HQYJTCGQKDDJGB-UHFFFAOYSA-N 298.346 3.584 30 20 CHED CCCCn1ncc(NCc2cc(C#N)cs2)c1C 341285306 XSXFZEALOAIKQF-UHFFFAOYSA-N 274.393 3.537 30 20 CHED C[C@H](NCc1ccc(C#N)s1)[C@H]1C[C@H]2CC[C@H]1C2 247355620 PTYFYKCRUOSFNI-JUFZMCDQSA-N 260.406 3.534 30 20 CHED CC[C@@H](C)n1c(SCC#N)nnc1-c1ccccc1 604548114 VMUWBODMSQKXGH-LLVKDONJSA-N 272.377 3.532 30 20 CHED CN(CCN(C)c1ccc(C#N)c(Cl)c1)c1ccccc1 521965651 WJFVKWNYRRKTOG-UHFFFAOYSA-N 299.805 3.784 30 20 CHED N#CCC1(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 602843087 BJOMIEXNEKUTED-KRWDZBQOSA-N 296.414 3.534 30 20 CHED CC(C)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)c2ccccc21 600414870 KOUZAXYIJAIMKE-IRXDYDNUSA-N 293.370 3.501 30 20 CHED Cc1cc(NC(=O)C2CCC=CCC2)c(C#N)cc1N(C)C 602336481 IBLRDFYNTAKFER-UHFFFAOYSA-N 297.402 3.618 30 20 CHED C=CCN(C(=O)c1occc1COc1ccccc1)C1CC1 347909387 LWICZBLNXAVXAW-UHFFFAOYSA-N 297.354 3.649 30 20 CHED N#CCC1(CN(Cc2ccc(F)cc2F)C2CC2)CC1 602767298 TWEDTXCQCMEGCF-UHFFFAOYSA-N 276.330 3.623 30 20 CHED N#Cc1ccc(CCC(=O)Nc2ccc3ccoc3c2)cc1 343961750 AOQAPMOKVBRKEI-UHFFFAOYSA-N 290.322 3.876 30 20 CHED C[C@H](CCC#N)CN(Cc1cccc(O)c1)CC1CC1 602455119 QKVVXRVSDMXXFX-CQSZACIVSA-N 272.392 3.544 30 20 CHED C=C1CCN(C(=O)[C@@H](C)c2ccccc2C(F)(F)F)CC1 607900529 OLOIXYRORHRKKG-LBPRGKRZSA-N 297.320 3.988 30 20 CHED COc1ccc(-c2cccc([C@H]3CCCN3)c2)cc1C#N 600790411 YZSCVGWYJVUDRD-QGZVFWFLSA-N 278.355 3.658 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(O)c(Cl)c1 342911308 LQNZJPISYAZUOG-UHFFFAOYSA-N 297.782 3.747 30 20 CHED C=CCCOCCCCC(=O)N(C)Cc1ccc(C)cc1 342617938 RBLSRDQFMVYUCE-UHFFFAOYSA-N 289.419 3.716 30 20 CHED C=C(C)CCN[C@H](C)CC(=O)Nc1cc(Cl)ccc1C 449472966 GTBHAKZNYPPTAR-CYBMUJFWSA-N 294.826 3.921 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NCc1cccc(C#N)n1 602545635 HMGKALIDUZVQCN-HNNXBMFYSA-N 299.805 3.718 30 20 CHED CCCCCCCC(=O)Nc1sccc1C#N 298183126 FQPVLQQJAWCTFQ-UHFFFAOYSA-N 250.367 3.919 30 20 CHED CCn1cc(C(=O)/C=C\c2cc3cc(OC)ccc3o2)cn1 255277864 UPFWPBBSACOFHI-XQRVVYSFSA-N 296.326 3.554 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@@H](C)c1ccco1 528307736 VZPCIHAOFYCEBR-GFCCVEGCSA-N 268.316 3.592 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@H](CC(C)C)c1ccccc1C 354392752 JHPNAGLTCIOFJD-AEFFLSMTSA-N 289.419 3.526 30 20 CHED CC(C)c1ccc(CCNC[C@H](C)CCC#N)cc1 602500454 ZHFWMAITBBVSRU-OAHLLOKOSA-N 258.409 3.882 30 20 CHED CCS[C@@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 447044585 MXHJGQSIHLBZNQ-QGZVFWFLSA-N 291.435 3.785 30 20 CHED N#C[C@H]1CC[C@H](Nc2cc(F)ccc2OCC2CC2)C1 442863180 QKEJTUPEYIRKHE-JSGCOSHPSA-N 274.339 3.719 30 20 CHED CSCc1cnc(CNc2cccc(CC#N)c2)s1 449703672 UPHCXLRGEKQPLU-UHFFFAOYSA-N 289.429 3.684 30 20 CHED CC(C)(CCC#N)CN1CCC(Cc2cccnc2)CC1 359960369 OQHULHWMXZGNRY-UHFFFAOYSA-N 285.435 3.666 30 20 CHED C=CC[C@@H](C)NC(=O)c1cnn(C(CC)CC)c1CC 358769613 WFDFGVFJSVLVOI-GFCCVEGCSA-N 277.412 3.501 30 20 CHED C=CCCC(=O)N1CC(C)(C)c2c(Cl)cccc21 531388109 CZVRCIHRUMHWCR-UHFFFAOYSA-N 263.768 3.930 30 20 CHED Cc1ccc(CCCNC(=O)c2sccc2C#N)c(C)c1 604523681 GQYOONMOOXUMLE-UHFFFAOYSA-N 298.411 3.599 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(C2CCC2)cs1 351026687 FPEWBOIMUUREDV-UHFFFAOYSA-N 264.394 3.951 30 20 CHED CCCCN(CC)c1ccc(C(F)(F)F)c(C#N)n1 443412433 JCZAOFNNXPPWCF-UHFFFAOYSA-N 271.286 3.598 30 20 CHED CC1(C)CC[C@H](NC(=O)c2cccc(SCC#N)c2)C1 351551087 RZNAXWBZEHKWID-ZDUSSCGKSA-N 288.416 3.611 30 20 CHED C=CCC(CC=C)c1nc(-c2nc(C)cs2)no1 356708231 PANURLDAIDGIRW-UHFFFAOYSA-N 261.350 3.737 30 20 CHED C=C(C)COc1cccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)c1 449056218 ZKTKVISTCMIYQZ-XJKCOSOUSA-N 261.365 3.619 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)NCCCCC#N)c1 351839784 STNMLMZQMFWPNY-ZDUSSCGKSA-N 289.379 3.679 30 20 CHED CCN(CCC(C)(C)C#N)[C@H](COC)Cc1ccccc1 538467269 CGZKPLWNPLNMSM-KRWDZBQOSA-N 288.435 3.506 30 20 CHED C=C1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 264532561 DZUJGMMUKCVPFW-HWKANZROSA-N 267.781 3.593 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 617787176 IQLIICRMDZIRDZ-LLVKDONJSA-N 298.308 3.529 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1C[C@@H]1c1cccc2ccccc12 357690595 HHMZHPUVXHRGPF-IAGOWNOFSA-N 292.382 3.752 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NCCc1ccco1 352304751 PWKZZYGOCNXXOH-UHFFFAOYSA-N 299.280 3.632 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 537308587 SVUKXPIHDQDMTC-UONOGXRCSA-N 286.419 3.967 30 20 CHED CCC1(CC)[C@@H](NC2CCC(C)(C#N)CC2)C[C@@H]1OC 449186683 JOCOAYWNWMDARZ-PYBGIAKNSA-N 278.440 3.642 30 20 CHED COc1cc(C#N)ccc1CN(CC1CCC1)C(C)C 444767845 AMBBBIUCDKPXLV-UHFFFAOYSA-N 272.392 3.577 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H](C)C(C)C)cc1 265085001 YJBNRCJDPIKYQR-CQSZACIVSA-N 258.365 3.534 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 355390588 WYAUNDMMGVBSSW-GXFFZTMASA-N 297.383 3.666 30 20 CHED CC(C)(C#N)CCC[S@](=O)c1c(F)cc(F)cc1F 531341237 KHUUGQWUIYFKEL-IBGZPJMESA-N 289.322 3.541 30 20 CHED COc1ccc(C#N)cc1CN1CC=C(C(C)(C)C)CC1 534659487 XKRGVPBKOCIZQW-UHFFFAOYSA-N 284.403 3.745 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 538302068 VVGLZBHCJSRFJN-ARFHVFGLSA-N 281.440 3.690 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)c(C)cc1C 453373900 VXGBPDADADZWIX-OIISXLGYSA-N 259.393 3.606 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C[C@H]2CCOC2)C1 367404768 RVBGXJNELRNSCA-BPQIPLTHSA-N 298.430 3.758 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@]1(C#N)CC1(C)C 362189043 VAWCAKBANGIWCX-LPMFXHHGSA-N 296.414 3.784 30 20 CHED C[C@@H](CNC1(c2cccc(C#N)c2)CC1)C(C)(C)C 619844989 NRWJYKFYPHIFTP-ZDUSSCGKSA-N 256.393 3.819 30 20 CHED C#CCCCCC(=O)N(CC)Cc1ccc(Cl)cc1 271373298 LOANPQSOVPFYKY-UHFFFAOYSA-N 277.795 3.882 30 20 CHED Cc1cc(C#N)ccc1CSc1nnc(C)n1C(C)C 614475805 OBJBKLAKCLEHMR-UHFFFAOYSA-N 286.404 3.640 30 20 CHED Cc1nc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c(C)s1 618801466 BAYVXSPVMMPSQJ-MGPLVRAMSA-N 297.427 3.970 30 20 CHED C=CCN(C(=O)CC/C=C\c1ccccc1)[C@@H](C)COC 617579645 IORADYCZFOVYTI-LJEUOOAZSA-N 287.403 3.530 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 612164499 CULMYZACJGSICA-AWEZNQCLSA-N 298.308 3.711 30 20 CHED C=C(CC)CNC(=O)c1ccc(CN(CC)CCC)cc1 456831947 VQADELYFIITYFE-UHFFFAOYSA-N 288.435 3.615 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OCCC)cc1 455058580 MVMONPKFSOUEQT-UHFFFAOYSA-N 262.353 3.563 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N(C)CC(C)(C)C#N 458263087 ZMBWJSADSFNASM-LSDHHAIUSA-N 293.455 3.782 30 20 CHED C=C(C)CCNC(=O)Cc1coc2cc(C)c(C)cc12 456120646 LBBTXIMBHIJIGO-UHFFFAOYSA-N 271.360 3.675 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccoc2C(C)C)c1 456975796 ZZFXJRWMMMHXRR-UHFFFAOYSA-N 268.316 3.835 30 20 CHED C=C(Cl)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273410889 IDWGGJDWFROICK-CABCVRRESA-N 283.774 3.730 30 20 CHED CC(C)(C#N)CCN1CC[C@@H](c2c(F)cccc2F)C1 546690654 SNLSNZRSECRHSC-GFCCVEGCSA-N 278.346 3.694 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccc(CC#N)cc2)n1 544076618 ADCWIGCFUDRYLV-UHFFFAOYSA-N 293.395 3.929 30 20 CHED CC(C)(C#N)CCCN1CCC2(CC1)OCc1ccccc12 363904440 SSYBDAUVMMXEPQ-UHFFFAOYSA-N 298.430 3.838 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 278283515 QJXRKKIVUGSKJH-OAHLLOKOSA-N 290.382 3.969 30 20 CHED C=CCCC(=O)Nc1cc(C(=O)CC)ccc1Cl 279767668 WIACBBHEEXKYNN-UHFFFAOYSA-N 265.740 3.837 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CCO1 270684785 DFDAFUREJCMNBN-GXFFZTMASA-N 293.798 3.612 30 20 CHED CN(CC1CCC1)C(=O)Nc1ccc(CC#N)cc1Cl 455697765 FGCODEZBSPZLSG-UHFFFAOYSA-N 291.782 3.670 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@H](c2ccccc2C)C1 455370354 QQYPEMZCPZWDCU-HNNXBMFYSA-N 286.419 3.706 30 20 CHED CS[C@@H](CN[C@@H](C)c1cccc(C#N)c1)C(C)(C)C 543426266 MCODKMGGXYYQKO-WFASDCNBSA-N 276.449 3.987 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(Cl)s1 274291209 CMKQEGMMBJFTJB-OTYXRUKQSA-N 298.839 3.950 30 20 CHED N#CCCCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 273002004 HQPGRZNLEMRUDW-CHWSQXEVSA-N 297.185 3.517 30 20 CHED CCC[C@H](C)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 371786815 PRDRHBOHLGFZFA-UAGQMJEPSA-N 284.403 3.721 30 20 CHED CC(C)c1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)s1 464169251 OBRSJLFOJMOTPS-OAHLLOKOSA-N 278.421 3.930 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(Cl)c(OC)c1 557998859 XMIOLUGRDWLXMH-MRXNPFEDSA-N 295.810 3.610 30 20 CHED CCc1nc(NC(=O)[C@@H](C)c2cccc(C#N)c2)sc1C 461912870 ZAFCXAOKLYYPCQ-JTQLQIEISA-N 299.399 3.628 30 20 CHED C[C@H]1Cc2ccccc2[C@@H]1NCCc1cccc(C#N)c1 467457046 VKQLIBNNMMDMRD-IFXJQAMLSA-N 276.383 3.624 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1cccc(Oc2ccccc2)c1 463830530 LPAJODJBQMMFTM-KRWDZBQOSA-N 294.354 3.757 30 20 CHED C=CCSCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 468599431 IHOOHPICHIKCAF-RAXLEYEMSA-N 292.404 3.507 30 20 CHED C=CCCC(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 462576006 KZUDBIVUDBXMBT-GUYCJALGSA-N 257.377 3.783 30 20 CHED N#Cc1cccc(C2(NC(=O)c3ccc(Cl)cc3)CC2)c1 557204465 YNOFDQQFKFPFCQ-UHFFFAOYSA-N 296.757 3.631 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N[C@](C)(C#N)C(C)(C)C 289117870 DEUBTDCNLFUYQE-MRXNPFEDSA-N 276.380 3.770 30 20 CHED CCCCCCCC(=O)Nc1cccc2c1COC2=O 289730459 NRODCUXQQPJRSI-UHFFFAOYSA-N 275.348 3.656 30 20 CHED C=C(C)CCc1noc(-c2ccc(OC)c(OC)c2C)n1 289284346 UHZHRJSMVYCVDX-UHFFFAOYSA-N 288.347 3.571 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1C1CCCC1 466324758 JCIRAFQOWJWHOT-LSDHHAIUSA-N 264.413 3.705 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2c(Cl)cccc2n1 285961409 JIUBWWUGDPJXJL-HNNXBMFYSA-N 287.750 3.767 30 20 CHED C=CCC[C@H](NCc1cnc(OC)s1)c1ccccc1 638785315 UZNSAMXGIKHURV-HNNXBMFYSA-N 288.416 3.949 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1cc(F)c(F)c(F)c1 557807937 CMFHQAWKDNZBFG-MRVPVSSYSA-N 296.317 3.888 30 20 CHED C#CCCCC(=O)N1CCC[C@](C)(c2ccccc2)CC1 286052459 QLWOHXCJKFPAJC-IBGZPJMESA-N 283.415 3.760 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1c1ccsc1 281386561 OTWOJOWNEGUDDN-ZIAGYGMSSA-N 278.421 3.949 30 20 CHED C[C@@H](N[C@H](CO)CCC(C)(C)C)c1ccc(C#N)c(F)c1 479522592 NXIYRXNMDXPZRH-DOMZBBRYSA-N 292.398 3.535 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(OC)ccc1Br 299204651 VEKNDSQQSOBKGL-UHFFFAOYSA-N 298.180 3.608 30 20 CHED Cc1ccc2[nH]c(CN(C[C@@H](C)C#N)C3CC3)cc2c1C 473134527 XTISRBVMAXDXIA-LBPRGKRZSA-N 281.403 3.909 30 20 CHED C=CCC[C@@H](NC(=O)CCCC#N)c1ccccc1 291056884 AKQZUVBSVQBDLH-OAHLLOKOSA-N 256.349 3.504 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)CCCc1ccccc1Cl 291556282 VGFYLKNSUZEBGG-CQSZACIVSA-N 292.810 3.717 30 20 CHED CCc1ccccc1COC(=O)CCCCCC#N 805696961 PYROPNFSRWBJOO-UHFFFAOYSA-N 259.349 3.766 30 20 CHED CCCOc1ccc2c(c1)CCN([C@H]1CC[C@H](C#N)C1)C2 293904199 WHJMNKHFYZSVHL-YOEHRIQHSA-N 284.403 3.526 30 20 CHED C=CCC1(c2nc([C@H](C)SCC)no2)CCC1 290043034 JBJUHKBJYZKGTP-JTQLQIEISA-N 252.383 3.882 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2cc(OC)ccc2c1 806615336 LBCYHBVDAQRTGN-UHFFFAOYSA-N 284.359 3.888 30 20 CHED C#C[C@H](C)NCc1ccc(Oc2ccc(OC)cc2)cc1 809684111 OCUVPTDIDUYGEN-AWEZNQCLSA-N 281.355 3.599 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NN[C@H]1CCSC1 808001369 KDENFRLKWHQRGI-FRRDWIJNSA-N 254.443 3.530 30 20 CHED CC(C)(C)[C@H]1CCC1=NNc1ccccc1C(=O)O 807957919 CJKTUJPYOIGYDD-NSHDSACASA-N 260.337 3.609 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1cc2cccc(F)c2o1 473869021 NGUBLNWBGPUNFG-GHMZBOCLSA-N 290.338 3.897 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc([C@@H]3CCOC3)cc2)C1 294902880 FRMNJOTZDPLQSP-FRFSOERESA-N 270.376 3.685 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CC[C@@H](C)C1 475300575 GZNNUHWSAQEJHJ-CABCVRRESA-N 266.429 3.810 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2scc(C)c2C#N)C1 569137128 HHQJEZHSHWXRLH-LBPRGKRZSA-N 291.420 3.972 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@H](C)C1(C)CC1 807572906 SZAFSDIANPFKJA-CQSZACIVSA-N 266.429 3.953 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)c2ccc(C)o2)cc1 809257960 MHFSLMRMIPFXRB-CZUORRHYSA-N 296.370 3.635 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2C[C@@H]2C2CC2)CCCC1(C)C 470299914 SWOWPOYIZPYGDA-ILXRZTDVSA-N 261.409 3.626 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 809257094 AOJUBHHPLFBXQO-AHKFDXCISA-N 270.376 3.676 30 20 CHED C#C[C@@H](NCc1cnc(-c2ccccc2)s1)C(C)(C)C 809782609 AISNXHGKFVFXST-OAHLLOKOSA-N 284.428 3.948 30 20 CHED CCc1ccc(CCOC(=O)CCCCCC#N)cc1 805696436 GQMQZCGWGRGSAO-UHFFFAOYSA-N 273.376 3.809 30 20 CHED C[C@@H](C#N)OCCSCc1csc(-c2ccco2)n1 802749761 MKDLATOOWHZWHW-JTQLQIEISA-N 294.401 3.565 30 20 CHED Cc1ccc(NN=C2CCOc3c(Cl)cccc32)nc1 814832956 ZMCWOJZXLTYJER-UHFFFAOYSA-N 287.750 3.642 30 20 CHED C=CC[C@H](C(=O)OCCc1cncs1)c1ccccc1 811119488 SFBVIHFJLZKGPU-HNNXBMFYSA-N 287.384 3.589 30 20 CHED Cc1nc(-c2ccccc2)oc1C(=O)OC1(CC#N)CCC1 810854350 VHVPPFAKANWCMR-UHFFFAOYSA-N 296.326 3.643 30 20 CHED CCCCCCCCCNC(=O)c1ccc(C#N)o1 814103273 NGLCXSSKBGJVEH-UHFFFAOYSA-N 262.353 3.632 30 20 CHED C=CCC[C@@H](C(=O)NC[C@H](OC)C(C)C)c1ccccc1 489713106 WVSYOTQQQNHLSL-SJORKVTESA-N 289.419 3.524 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@H](c3ccccc3)C2)nc1 814890613 ULBRPJKOEMOHFF-ZDUSSCGKSA-N 295.342 3.515 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)C2(C#N)CCCCC2)[C@@H]1C 482705330 NLCXNRIFLSYDIQ-KFWWJZLASA-N 276.424 3.649 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](CC1CCCC1)c1ccccc1 812176452 CBJAPUKHOVYTKX-CRAIPNDOSA-N 298.430 3.971 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(F)c(F)c(F)c1 488475448 HLHGGYNFWLJKMG-JTQLQIEISA-N 284.281 3.676 30 20 CHED C=CCCCCCCCNC(=O)c1ccc2cncn2c1 811589528 AIOJZQUTQLDKPC-UHFFFAOYSA-N 285.391 3.591 30 20 CHED CCC(=NNc1ccc(F)cc1F)c1cccc(N)c1 814686672 VWLQEOLFYNXMLS-UHFFFAOYSA-N 275.302 3.773 30 20 CHED C=CC[C@H]1N(C(=O)c2cnc3ccccn23)CCCC1(C)C 570896874 ZJHUECZRZSHLAH-OAHLLOKOSA-N 297.402 3.541 30 20 CHED N#Cc1ccnc(NCCc2ccc(F)cc2F)c1Cl 572025647 GDFOIXVBWKVLSJ-UHFFFAOYSA-N 293.704 3.539 30 20 CHED CCc1cccc(Cl)c1C=NN[C@H](C)c1ccncc1 819815962 DXOCGWFITKKDPK-GFCCVEGCSA-N 287.794 3.982 30 20 CHED CSc1ccc(C=NNc2ncccc2Cl)s1 814810156 ALKUANUHVRNPBD-UHFFFAOYSA-N 283.809 3.964 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](C)CCCCCC 810039411 XNIHRTUWTKYMFL-OAHLLOKOSA-N 271.404 3.686 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc(CC2CC2)no1 576767527 AOEVRNGGWMSJSX-AWEZNQCLSA-N 254.333 3.730 30 20 CHED C=CC[C@@H](N[C@H]1CCc2cccnc2CC1)c1ccncc1 817577130 DRABAABIAUZAFA-PKOBYXMFSA-N 293.414 3.631 30 20 CHED C=C(C)CNC(=O)N(C)Cc1c(Cl)cccc1Cl 488545014 NOOSJUGRZNJDCP-UHFFFAOYSA-N 287.190 3.711 30 20 CHED Cc1ccc(F)c(NN=C2COc3cc(F)cc(F)c32)c1 814872737 WXFZDNQGCRVCJE-UHFFFAOYSA-N 292.260 3.621 30 20 CHED COc1ccc(Cl)cc1C(C)=NOCCC1CC1 814246879 GULGPTKTECQAEI-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1ccc(C#N)cn1 577506486 XROZJLRTOQMXDP-UKRRQHHQSA-N 271.408 3.600 30 20 CHED Cc1ncc(-c2ccccc2)cc1NC(=O)[C@@]1(C#N)C[C@@H]1C 576789747 QEKNOIGPBUJHSN-KPZWWZAWSA-N 291.354 3.545 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C\c1cccnc1 491986085 ZTRAHJABAQKHPI-KHPPLWFESA-N 292.382 3.700 30 20 CHED N#CCc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c(Cl)c1 570595004 FZMSFWHJBYUCNZ-AGIUHOORSA-N 288.778 3.781 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(OC2CCC2)cc1 490081451 AEDLJGPWUAFGTP-UHFFFAOYSA-N 287.403 3.950 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 728480953 XEWWMFQQYUXUNP-ULQDDVLXSA-N 281.399 3.847 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccccc1F)C(C)C 726751444 NVQIDYSUDRIGAE-ZDUSSCGKSA-N 263.356 3.742 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cncn1C(C)C 901443212 MMQYCIPVOHGRKL-VOTSOKGWSA-N 284.359 3.677 30 20 CHED N#CCCCCCC(=O)N1CCCc2ccc(F)cc21 588879474 MLUQHJJBOBHHLJ-UHFFFAOYSA-N 274.339 3.579 30 20 CHED C=CCC1(NCc2cc3ccccc3nc2O)CCCC1 661847674 COBNNTQYYMOGMM-UHFFFAOYSA-N 282.387 3.919 30 20 CHED C#CCOc1cccc(OC(=O)c2cc3occc3s2)c1 736014239 HBCXPDKTOHGJDB-UHFFFAOYSA-N 298.319 3.726 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(O)cc2)s1 731155913 WOAADORSHRFVMW-KTKRTIGZSA-N 258.342 3.912 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)/C=C\c1ccccc1C#N 737593776 ZBNICOYXFAYRFD-KUFHYKGKSA-N 296.414 3.999 30 20 CHED N#CCC[C@H](C#N)CNCC1(Cc2ccccc2)CCCC1 582199562 GXNVEKMMDFBHLX-GOSISDBHSA-N 295.430 3.823 30 20 CHED CCCCCCCSc1n[nH]c(-c2ccccn2)n1 735234071 IGEHTINBUVRCMF-UHFFFAOYSA-N 276.409 3.929 30 20 CHED C=CCCCOC(=O)c1cnn(-c2cccc(C)c2)c1C 735525740 NHVQPDQHEDSFEU-UHFFFAOYSA-N 284.359 3.612 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H](CC)c1ccc(OC)cc1 839038052 BCMLTBVWMCGSGR-CZUORRHYSA-N 274.360 3.534 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ncc(F)cc2F)o1 835022464 KPMBXMIYRUYMCP-KCJUWKMLSA-N 277.274 3.522 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2cccc(C3CC3)c2)nn1 834444858 UFLCQRHLDHDESM-HJWRWDBZSA-N 281.359 3.633 30 20 CHED C=CCCOCC(=O)O[C@@H](CC)c1ccc(F)cc1F 739272778 WPAYXDHTHXUPTH-AWEZNQCLSA-N 284.302 3.552 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C2(c3ccccc3)CCC2)C1 839060341 ZOZCHIRKHYVDRX-ZBFHGGJFSA-N 283.371 3.734 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C\c1cccc(F)c1F)O2 730729259 GPNMVKWAKNABME-AWNIVKPZSA-N 288.249 3.595 30 20 CHED COc1ccsc1C(=O)/C=C\c1cc(C)c(O)c(C)c1 588488987 CUIRBAVVMLBWQY-PLNGDYQASA-N 288.368 3.975 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CC[C@H](C)C2)cc1 581497024 JERFBSCXJNRSKG-XKQJLSEDSA-N 284.403 3.708 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCC(C)(C)C#N 903101248 DISMPCWCWODVKY-INIZCTEOSA-N 281.403 3.993 30 20 CHED CS[C@H]1CCCC(=NNc2cccc([N+](=O)[O-])c2)C1 901123970 QZFUEEYTLKKGTR-ZDUSSCGKSA-N 279.365 3.668 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(F)cc2Cl)C1 839043991 OIEWEHGLDZLEQB-ONGXEEELSA-N 281.714 3.718 30 20 CHED C[C@@H](ON=C1CCC1)C(=O)Nc1ccc(C(C)(C)C)cc1 735489789 FSEZZRQUOCKDHS-GFCCVEGCSA-N 288.391 3.868 30 20 CHED CC#CC(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 837099577 HKDUATCEBMPLJB-DZGCQCFKSA-N 275.779 3.506 30 20 CHED CC(=O)c1ccc(OCC#Cc2cccc(Cl)c2)cc1 676487080 JSLCPDJYYMWDCR-UHFFFAOYSA-N 284.742 3.973 30 20 CHED N#CCC1(CSCc2ccn(C3CCCC3)n2)CC1 596344183 DZWUDTGPUSJLIH-UHFFFAOYSA-N 275.421 3.925 30 20 CHED CC(C)c1ccccc1OC(=O)c1ccc(C#N)s1 749310765 MBRQTNCJJULTME-UHFFFAOYSA-N 271.341 3.962 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ocnc1C 747368133 NNKDVSDBAXPGGQ-GFCCVEGCSA-N 266.385 3.709 30 20 CHED CC(C)C(CCc1ccccc1)=NNc1cnccn1 917545801 JIIMHNSBNWUZPO-UHFFFAOYSA-N 268.364 3.533 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 590166112 PWUQHWWSYCTKBL-DGCLKSJQSA-N 299.805 3.872 30 20 CHED COCCOCc1cccc(-c2ccc(C)c(CC#N)c2)c1 592986530 OXAFUXHZIOKFGW-UHFFFAOYSA-N 295.382 3.891 30 20 CHED C=CCCSCC/N=C/c1cc(OCC)ccc1O 849170458 PPHLRTQAWIRSHS-FOWTUZBSSA-N 279.405 3.519 30 20 CHED C=CCN(Cc1cc(-c2ccc(OC)cc2)no1)C1CC1 678537088 BQBXQTZQUPIGAH-UHFFFAOYSA-N 284.359 3.501 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)CCc2c(O)cccc21 742435694 XBILJDAKACEAOS-PKNBQFBNSA-N 286.277 3.883 30 20 CHED C=CCCCOC(=O)/C=C/c1cnc(C(C)(C)C)s1 745677153 RLGRLZKHCWNRSY-CMDGGOBGSA-N 279.405 3.963 30 20 CHED N#CCCSC[C@H](O)c1cccc2ccccc12 840215376 YYGWUDWYIPVJRE-HNNXBMFYSA-N 257.358 3.520 30 20 CHED CSc1ccccc1CN1CCC[C@H](CC#N)C1 595620360 MMKMMWZZFKXJQX-CYBMUJFWSA-N 260.406 3.534 30 20 CHED N#C[C@H](C(=O)C1CC2(CCC2)C1)c1nc2ccccc2o1 842693060 AZDMFGGOMYKXKI-GFCCVEGCSA-N 280.327 3.584 30 20 CHED CC(C)(C)CCCNC(=O)Nc1cccc(OCC#N)c1 740438027 YHBPLIMEISQQIS-UHFFFAOYSA-N 289.379 3.537 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 593656244 DWKAWDGKGFHEBI-PBHICJAKSA-N 290.366 3.715 30 20 CHED C=CC[C@H](NC(=O)N1C[C@H](C)CC1(C)C)c1ccncc1 746765806 KUEPDELBCFAKSU-HIFRSBDPSA-N 287.407 3.529 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Nc1cnn(C)c1 918029211 DRLCWPCKQICPGN-CYBMUJFWSA-N 280.416 3.538 30 20 CHED CC(C)c1cccc(C(=O)N(C2CC2)C2(C#N)CCC2)c1 598834700 WNNHFFAVHLOJOM-UHFFFAOYSA-N 282.387 3.861 30 20 CHED Cc1ccc(OCCC(=O)Oc2ccc(C#N)cc2)c(C)c1 914037787 WIYAOVXTOPAWOE-UHFFFAOYSA-N 295.338 3.550 30 20 CHED COCCOc1ccc(-c2cccc(C3(C#N)CC3)c2)cc1 592983961 JPYWBRIQCLVUGN-UHFFFAOYSA-N 293.366 3.934 30 20 CHED CCCCCCCC(=O)OCc1c(C)noc1C 919223358 UTDPRQDFKSNVBQ-UHFFFAOYSA-N 253.342 3.695 30 20 CHED C#CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)C1CCCCC1 743689762 AKSJDGCAKVWIDU-HOTGVXAUSA-N 275.436 3.997 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)c2cccc(OC)c2)c(O)c1 917557747 BAZNOLCUPRVUNZ-QXGSTRBFSA-N 299.370 3.980 30 20 CHED O=C(O)c1ccc(NN=C/C=C\c2ccc(F)cc2)cc1 747735679 HNSHIUXMHDTIOX-XCSJNYROSA-N 284.290 3.635 30 20 CHED CN(C(=O)CC(C)(C)C1CCCCC1)c1ccc(C#N)nc1 593275293 FXCNAGLFVVSRCW-UHFFFAOYSA-N 299.418 3.913 30 20 CHED C=C(C)CNC(=S)N1CC[C@H](c2ccccc2)[C@H](C)C1 741861240 DAZRHMCAHYCOSQ-ZBFHGGJFSA-N 288.460 3.563 30 20 CHED COc1ccc(NC2CCC(F)(F)CC2)cc1C#N 846749658 FHYYAWYGHWVAQO-UHFFFAOYSA-N 266.291 3.557 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CCC(F)(F)C1 840273559 ALTZBWACUBPRNI-MRVPVSSYSA-N 291.223 3.572 30 20 CHED CCCOc1ccc(-c2cn(C)nc2C(C)C)cc1C#N 844229482 QCUWQPQKMUYQNB-UHFFFAOYSA-N 283.375 3.871 30 20 CHED C=C[C@@H](C)ON=C(C)c1sc2nc(C)nc(C)c2c1C 844624996 PGJIBJQUVNBMLD-MRVPVSSYSA-N 289.404 3.932 30 20 CHED C=CCCSCCNC(=O)N(C)[C@H](C)CCCC 596716627 ZCGBQVHLGOQGMZ-CYBMUJFWSA-N 272.458 3.516 30 20 CHED C=C[C@@H](C)ONC(=O)c1cccc(N[C@H](C)C(C)C)c1C 846545235 FNULQYVXQNBHSL-TZMCWYRMSA-N 290.407 3.687 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2cccc(C#N)c2)CCCC1 596437215 NFGMTHOXEZBHBW-AWEZNQCLSA-N 297.402 3.807 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCC[C@@H]1CC1(Cl)Cl 845173117 ZJNVXHNBFLVPSV-GHMZBOCLSA-N 293.238 3.614 30 20 CHED CC(C)(C)[C@H]1CCCC(=NNc2cccnn2)CC1 746576660 PZTXKCIAVFZTML-LBPRGKRZSA-N 260.385 3.871 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1 681661144 PRECHZQONYDTII-LRDDRELGSA-N 298.386 3.829 30 20 CHED CCCCCCCCC(=O)N1CCn2cccc2C1 928963905 HVCRUYOZIYTCDL-UHFFFAOYSA-N 262.397 3.581 30 20 CHED O=C1/C(=C\c2cccs2)Oc2cc(F)cc(F)c21 758030637 RTDWRYAAMPZQMX-IZZDOVSWSA-N 264.252 3.643 30 20 CHED N#C[C@H]1CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1 928219803 CHKRJJXHXWVQLQ-FAEJEUNOSA-N 296.414 3.723 30 20 CHED CC1CC(COC(=O)C[C@H](CC#N)c2ccccc2)C1 851463787 GPCWKGFBQNJAHE-XUJLQICISA-N 271.360 3.663 30 20 CHED N#Cc1ccc(CN(CC=C(Cl)Cl)C2CC2)cc1 851738909 XFAVZPUDYAAZAL-UHFFFAOYSA-N 281.186 3.842 30 20 CHED C=CCCCN1CCC[C@H](c2nc3ccccc3[nH]2)C1 1335059377 FKENIVDBPXGZQJ-AWEZNQCLSA-N 269.392 3.709 30 20 CHED C=CC[C@@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O 850140932 NYCOUFYOECAASA-GFCCVEGCSA-N 277.408 3.753 30 20 CHED C[C@H]1CCCCN1N=Cc1sccc1Br 853379921 OBKGCMJXMRZKMI-VIFPVBQESA-N 287.226 3.719 30 20 CHED C#C[C@](C)(CC)N[C@H](C)c1nc2ccccc2n1C(F)F 852101506 QDJZDXYTWWJUKF-BDJLRTHQSA-N 291.345 3.884 30 20 CHED Cc1ccc(F)cc1CNc1ccc(CC#N)cc1 131985488 VVHDENMEJDNBPZ-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C#CC[C@H](NC(=O)CCc1ccccc1F)c1ccccc1 757581945 YODUWECIQOCYBQ-SFHVURJKSA-N 295.357 3.639 30 20 CHED CCC/C(C)=C/C(=O)[C@@H](C#N)C(=O)Nc1ccc(CC)cc1 920324577 PXBPUELPZZTZTR-SICOMBFOSA-N 298.386 3.643 30 20 CHED Cc1cc([C@H](C#N)C(=O)C[C@@H]2CCCCC2(C)C)nc(C)n1 752477677 KCSDTLMDYNASFR-GJZGRUSLSA-N 299.418 3.876 30 20 CHED CC[C@@H](CC(F)(F)F)N[C@@H](C)CC(C)(C)C#N 926169985 ACBSUFKEQMGBOI-UWVGGRQHSA-N 250.308 3.635 30 20 CHED C#CC1CCC(=NNc2cccc(C(F)(F)F)n2)CC1 853310438 PYEHJIFETUVBLO-UHFFFAOYSA-N 281.281 3.692 30 20 CHED C#Cc1ccc(C(=O)Oc2ccc(CCCC)cc2)nc1 756693546 WGLXTNOAEVMPSB-UHFFFAOYSA-N 279.339 3.625 30 20 CHED C#CC[C@H](NC(=O)C1CCCCCC1)c1ccccc1 757575060 AKTHUZJXBORDQU-KRWDZBQOSA-N 269.388 3.838 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)[C@H](O)CCCC3)cc1 850362048 FOHSGGUFSIYBDR-LJQANCHMSA-N 292.382 3.930 30 20 CHED CCOc1cccc(C=Nc2ccc3c(c2)CCCO3)c1O 750950216 QEXPHVLWNNZQAH-UHFFFAOYSA-N 297.354 3.867 30 20 CHED Cc1ccc(-c2nc(C=NN3CCCC[C@@H]3C)co2)cc1 853380209 QGWFXIQVOXOPKZ-AWEZNQCLSA-N 283.375 3.858 30 20 CHED C/C(=C\C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccccc1 851211566 KTGSGAQRUHVWJY-UELRPHRMSA-N 271.360 3.961 30 20 CHED CCN(CC)c1ccc(C=NO[C@H]2CCCCO2)cc1F 755821240 ZLTJWBHUSSXBKG-INIZCTEOSA-N 294.370 3.549 30 20 CHED CCCCCCCCCCN1CCC2(CC1)CNC(=O)C2 752302289 GHWJTIUOHWPQSS-UHFFFAOYSA-N 294.483 3.729 30 20 CHED CC[C@H](c1ccc(F)cc1F)N1CCC[C@@H](C#N)C1 932147971 JQKATMMBBHTUDG-XHDPSFHLSA-N 264.319 3.651 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(COC(C)(C)C)c1 933212461 GMTMDMSXEFYZBA-LBPRGKRZSA-N 276.380 3.698 30 20 CHED CC1(C)CCCN(C(=O)c2ccsc2C(F)F)[C@@H]1C#N 935662576 HPEXEQIWYUWXFA-SNVBAGLBSA-N 298.358 3.840 30 20 CHED C#CCN(Cc1ccc(OCC=C)c(Cl)c1)C1CC1 764676294 JCZLMNIAXVZXKM-UHFFFAOYSA-N 275.779 3.502 30 20 CHED C/C(=C/c1ccccc1)CN(CCC#N)CC(C)C 768153300 CUAKIGLYYUJNEC-VBKFSLOCSA-N 256.393 3.962 30 20 CHED C#CCN(C(=O)c1cccc(Oc2ccccc2)c1)C1CC1 763791721 WKRVHVUTDKUMFO-UHFFFAOYSA-N 291.350 3.717 30 20 CHED CCc1cccc2c(C=NOCC(F)(F)F)c[nH]c12 764844178 HQBUDVBTYUMVPW-UHFFFAOYSA-N 270.254 3.643 30 20 CHED N#C[C@@H]1CCCC(=NNc2nc3ccccc3[nH]c2=S)C1 863125255 QUEBBHMJWNOZQX-SNVBAGLBSA-N 297.387 3.774 30 20 CHED N#Cc1ccc(OC(=O)c2cccc(Cl)c2)c(F)c1 769738954 UERXGVRSIZSBCT-UHFFFAOYSA-N 275.666 3.570 30 20 CHED C=C(C)CN1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 769944745 YPXAXRRLSVMUQT-UHFFFAOYSA-N 296.455 3.532 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cnc(C)s1 761253319 XYHDKHUMIGMSPP-UHFFFAOYSA-N 259.378 3.904 30 20 CHED C[C@@H](O)c1cc(N[C@H](C)c2cccc(C#N)c2)ccc1F 864012703 YEJDYYYUJQVZHS-VXGBXAGGSA-N 284.334 3.924 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)/C=C\c1ccccc1C#N 768935293 XASKPUPFZQBVRL-LMVHURLUSA-N 296.414 3.999 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 765927325 PRXMEFGSDIDSGQ-BHYGNILZSA-N 297.402 3.540 30 20 CHED Cc1ccc(-c2ncco2)cc1N[C@H]1CC[C@@H](C#N)C1 1116925561 VWIUHAWWJAHYID-OCCSQVGLSA-N 267.332 3.754 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1ccc(C)s1 878385270 XOCDUNCFPYOTJX-LLVKDONJSA-N 251.395 3.836 30 20 CHED CCCCCCCCNC(=O)Cc1ccccc1CC#N 776988134 WOTUCHMBVOQVTK-UHFFFAOYSA-N 286.419 3.772 30 20 CHED CCCc1nc(COc2ccc(C#N)c(F)c2)cs1 66860848 LXPOPAIPKWLORK-UHFFFAOYSA-N 276.336 3.685 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1cn(C)cn1 872374979 PGAIMZVOEHFGCB-UHFFFAOYSA-N 270.380 3.688 30 20 CHED CCCn1nc(C)c(C=NN[C@H]2CCCCC2(C)C)c1C 773122605 ARZCRZVLBVHCRN-INIZCTEOSA-N 290.455 3.802 30 20 CHED N#Cc1cc(/C=C/C(=O)c2cccc(F)c2F)ccc1F 776267810 FGMQUPYJIQNNTR-FNORWQNLSA-N 287.240 3.872 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1ccn(C)n1)CCO2 773153159 IHWFVHIBRIISDN-UVTDQMKNSA-N 296.370 3.592 30 20 CHED C=CCCCCNC(=O)Nc1cnccc1C(F)(F)F 880967725 PFZKQSNHVOUOSA-UHFFFAOYSA-N 287.285 3.578 30 20 CHED C=C(CC)COC(=O)CCCOc1ccc(F)cc1F 773502312 YFQCXWHYBGBCLR-UHFFFAOYSA-N 284.302 3.633 30 20 CHED C#CC[C@H](NCCCOc1ccccc1)c1ccccc1 775401261 XYKRZQRFCUNFOT-IBGZPJMESA-N 279.383 3.810 30 20 CHED COC(=O)c1ccccc1NN=C[C@@H]1CCc2ccccc21 776187330 NTAKFEKYOSRYSJ-AWEZNQCLSA-N 294.354 3.601 30 20 CHED C=C1CCC(C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 888182849 KQNYPOWGWJGFFI-UHFFFAOYSA-N 286.375 3.638 30 20 CHED Cc1ccc(CCC(=O)O[C@H]2CCC[C@@H](C#N)C2)c(C)c1 1129608497 FLXTZYGBTPJMKG-WBVHZDCISA-N 285.387 3.862 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(C#N)cc1Cl 788421292 GMNQQOZBBCUYBH-UHFFFAOYSA-N 294.745 3.919 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 1123559861 SXWFXIUJAGHTCL-LBPRGKRZSA-N 287.359 3.893 30 20 CHED C#CCCCCCc1nc(COc2cccc(F)c2)no1 780359572 JHIOCBCXUVHAQP-UHFFFAOYSA-N 288.322 3.524 30 20 CHED C#CCC1(C(=O)N2CC[C@@H](C)C3(CCC3)C2)CCCCC1 788236969 AVKLEBFKZOGKPC-MRXNPFEDSA-N 287.447 3.999 30 20 CHED C(=NN[C@@H]1CCCOC1)c1cccc(Oc2ccccc2)c1 780265668 NDNNGTCHYYZQTQ-MRXNPFEDSA-N 296.370 3.581 30 20 CHED C=CCOc1ccc(COC(=O)c2coc(C)c2)cc1 781555971 ATPXJEFLVLRLOX-UHFFFAOYSA-N 272.300 3.510 30 20 CHED CC[C@H](C#N)OC(=O)c1sc(C)nc1-c1ccccc1 781136394 MZXUDQDKRJKNET-GFCCVEGCSA-N 286.356 3.578 30 20 CHED CC(CCCCN(C)C)=NNc1cc(F)c(F)cc1F 781127293 LVAUAPFLYSTUAH-UHFFFAOYSA-N 287.329 3.624 30 20 CHED Cc1cc(CN2CC[C@H](C3CCCC3)C2)ccc1C#N 1462387611 REURZTLUUNKBCF-SFHVURJKSA-N 268.404 3.879 30 20 CHED N#Cc1ccc(COC(=O)C2(F)CCCC2)c(Cl)c1 784250883 QJFBQZIKFBNLHL-UHFFFAOYSA-N 281.714 3.537 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1cccc(Cl)c1 785085333 ANJSPDCSNVZCQK-JTQLQIEISA-N 265.740 3.884 30 20 CHED Cc1cccc2c1OCC[C@H]2OC(=O)c1ccc(C#N)cc1 789492261 AMIAXFXPZADYBB-MRXNPFEDSA-N 293.322 3.547 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1cccc(Cl)c1 780251375 BNGNONQFKVTINP-AWEZNQCLSA-N 280.799 3.611 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1ccccc1 899334029 WAUOFOOLRXAJMV-MDZDMXLPSA-N 252.317 3.504 30 20 CHED C=C1CCC(C(=O)O[C@H](C2CC2)C(F)(F)F)CC1 892843228 YBDYTICIIIZBOE-LLVKDONJSA-N 262.271 3.617 30 20 CHED COc1ccc(C(C)=NOC[C@H]2CCOC2)c2ccccc12 788035337 ZMIDKWQDGZTNEG-AWEZNQCLSA-N 299.370 3.626 30 20 CHED Cc1cc(CNCc2ccc(C#N)cc2)cc2cccnc12 784501992 QYBUEVLTXGKPDZ-UHFFFAOYSA-N 287.366 3.705 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 785593052 CXTABOSWUQHQGK-OAHLLOKOSA-N 295.766 3.667 30 20 CHED O=C1/C(=C/c2cc(Cl)cs2)Oc2cc(O)ccc21 782321863 CFHXSYYVIPJURS-XGICHPGQSA-N 278.716 3.723 30 20 CHED Oc1nc2ccccc2cc1/C=N/C[C@@H]1CCCCS1 783682196 TUNHFSOZSYSULQ-FBJMNJBLSA-N 286.400 3.645 30 20 CHED C[C@]1(c2ccccc2)CCC(=NOC[C@H]2CCOC2)C1 788030778 PTNLUASMCFAHQA-YOEHRIQHSA-N 273.376 3.537 30 20 CHED CN(CCC#N)c1ccc(C=NN[C@H]2CCCC2(C)C)cc1 782289358 WUBUABJTKKZRKD-KRWDZBQOSA-N 298.434 3.539 30 20 CHED CC(=O)c1ccc(NCc2ccc(F)c(C#N)c2)cc1 83497100 JERGEXVBEOXENV-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C#Cc1cccc(N(C)Cc2ccc(F)c(F)c2)c1 303207915 QIGVULGCIHQJFQ-UHFFFAOYSA-N 257.283 3.583 30 20 CHED N#CC[C@H](CC(=O)OCc1ccccc1F)c1ccccc1 795980545 FANWUTDSFXNFGV-OAHLLOKOSA-N 297.329 3.956 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)cc(Cl)c1O 546859533 KKQPTMPAPKCHMZ-UHFFFAOYSA-N 274.147 3.994 30 20 CHED CC(=NNc1cccc(F)n1)c1coc2ccccc12 795006170 FOCXEMAQNKMLJM-UHFFFAOYSA-N 269.279 3.803 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C\C(=O)c1cccs1 794927523 SFJUVQQFTSXCRR-WAYWQWQTSA-N 286.352 3.959 30 20 CHED CCCCCCCCC(=O)OCc1cnc(Cl)cn1 798598141 SROKNXLTABIDME-UHFFFAOYSA-N 284.787 3.924 30 20 CHED Cn1ccnc1NN=C1CCC[C@H](C(C)(C)C)CC1 790303446 UGCFVYMMEKBVDS-LBPRGKRZSA-N 262.401 3.814 30 20 CHED COCCCON=C1CCC[C@H]1c1ccc(C)cc1 795048004 FHORKNBSMHRVFF-HNNXBMFYSA-N 261.365 3.672 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1cc3cc(F)ccc3o1)C2=O 794965713 YJIXJIOYFDPZDU-YFHOEESVSA-N 296.301 3.518 30 20 CHED CCCCCCCCN1CCC2(CCCN2C)CC1 784251903 JMSRVNKQUZOCRO-UHFFFAOYSA-N 266.473 3.907 30 20 CHED CC[C@H](C)[C@H](CN(Cc1ccc(C#N)cc1)C(C)C)OC 1308571133 PLMLYCQYWFTZBE-YJBOKZPZSA-N 288.435 3.830 30 20 CHED COc1ccc(C#N)cc1CSc1cc(C)ccn1 1166805558 QCQXSLGHZREHOH-UHFFFAOYSA-N 270.357 3.563 30 20 CHED N#Cc1nc(NCC2CCCCCC2)ccc1Cl 1163304828 FMIFQWYHJUIHKY-UHFFFAOYSA-N 263.772 3.989 30 20 CHED N#C[C@H](Cc1ccccc1)SCc1nc2ccccc2[nH]1 1166308344 YOMJRQLDHUROQV-AWEZNQCLSA-N 293.395 3.931 30 20 CHED Cc1cc(C#N)nc(NCc2ccc(C)c3ccccc23)n1 1169413769 MKPUQGHJIUBMEJ-UHFFFAOYSA-N 288.354 3.730 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)ccc1N1CCCC1=O 1318775185 AMPLXXOHQYQDPA-UHFFFAOYSA-N 299.418 3.864 30 20 CHED Cc1cc(N(C)Cc2ccc(Cl)cc2)ncc1C#N 1166676434 IVSCCXQMNMEUHW-UHFFFAOYSA-N 271.751 3.552 30 20 CHED COc1ccc(C=NNCc2ccc(F)cc2)c(Cl)c1 1319191908 HMQBBRUSKPLKPK-UHFFFAOYSA-N 292.741 3.611 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1ccc(Cl)cc1 1317743292 PAANKXWGSPSMAR-UITAMQMPSA-N 288.730 3.950 30 20 CHED CCOc1ccc(/C=C\c2cc(C#N)ccn2)cc1OC 1321824664 GUKPTGXLLMOOTO-XQRVVYSFSA-N 280.327 3.531 30 20 CHED CN(C(=O)c1csc(C#N)c1)[C@H]1CCCc2ccccc21 1325103702 JMAXDLYLYDRDRP-INIZCTEOSA-N 296.395 3.769 30 20 CHED CCCCNc1nnc(S[C@H](C)CCC#N)s1 1321670941 YSMGCTMMBMZAAS-SECBINFHSA-N 270.427 3.534 30 20 CHED C=C(C)CCC(=O)Nc1n[nH]c(C)c1-c1ccccc1F 1336602380 XPXMQBHXHCHYOI-UHFFFAOYSA-N 287.338 3.819 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1cccc(O)c1 1339511391 GORSCRRMVYVUFG-CSKARUKUSA-N 264.324 3.777 30 20 CHED CCC1(NCc2cccc(F)c2C#N)CCCCC1 1181901905 XLGJYAQNGCVHEO-UHFFFAOYSA-N 260.356 3.900 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(F)cc1OC(F)F 1261360145 BFPMEEDBTCDPJA-UWVGGRQHSA-N 286.297 3.770 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)c2ccc(F)cc2F)C1 1347999289 MQUSTVXVCKVWGW-STQMWFEESA-N 293.357 3.883 30 20 CHED CCSc1ccc(CNc2cccc(CC#N)n2)cc1 1349772857 GSDXXNOONASYMF-UHFFFAOYSA-N 283.400 3.872 30 20 CHED COc1cc(C#N)ccc1C(=O)N(c1ccccc1)C(C)C 1351017030 FUPFAZFYWXBXAL-UHFFFAOYSA-N 294.354 3.622 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(C)c(F)c1 1357805197 PQOMVSDFVPWLMF-QGZVFWFLSA-N 296.345 3.887 30 20 CHED Cc1ccc(CCOC(=O)c2cc(C#N)ccc2C)cc1 1354087509 MOCDPKFAKBLHGT-UHFFFAOYSA-N 279.339 3.575 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)cc1F 1525584146 ITNVOBPHPIEBNE-CZUORRHYSA-N 288.366 3.738 30 20 CHED CCCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1F 1461945244 RMNGXMVHQAPOHN-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C=CCCc1ccccc1NC(=O)c1ccc(C(=O)O)cc1 1602884451 CZPRBLQYYSBKJL-UHFFFAOYSA-N 295.338 3.756 30 20 CHED N#Cc1ccc(C(=O)NCc2cc(C3CC3)ccc2F)cc1 1523198174 REGZQMJPVHNCRQ-UHFFFAOYSA-N 294.329 3.505 30 20 CHED C=CCC[C@@H](C)Nc1ccc(SC)c(C(=O)O)c1 1602857251 OQPFRCZNVSYJIU-SNVBAGLBSA-N 265.378 3.873 30 20 CHED N#Cc1cc(NC(=O)c2cccc(Cl)c2)c(F)cc1F 1535867814 MVAVJLPEHPDPAV-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2cc(C#N)ccc2F)[C@@H]1C 1537623220 AKRNOUDVDSTQNT-HFAKWTLXSA-N 275.323 3.679 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1533708904 ZUXZUDIDUQGNLZ-HUUCEWRRSA-N 276.424 3.793 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)[C@@H]1CCCNC1 116306661 JDUKHMDPJFWMPJ-HZPDHXFCSA-N 282.472 3.631 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccc(F)cc1OC(F)F 1616669048 BFPMEEDBTCDPJA-NXEZZACHSA-N 286.297 3.770 30 20 CHED COc1ccc(C#N)cc1NCc1cc2c(C)cccc2[nH]1 1560497954 LYRAJTAYEHHTPP-UHFFFAOYSA-N 291.354 3.969 30 20 CHED Cc1cc(N(C)Cc2cc3ccccc3o2)ncc1C#N 1639582831 SMXXJZAPGANAOK-UHFFFAOYSA-N 277.327 3.644 30 20 CHED CC(=O)[C@H](Cc1ccccc1)Sc1cccc(C#N)c1 1640957216 JSWJNWPKEZUCAH-KRWDZBQOSA-N 281.380 3.851 30 20 CHED C#CCCCCCCSc1ccc(-c2nn[nH]n2)cc1 1573282632 LWACYZXHLIJMBR-UHFFFAOYSA-N 286.404 3.543 30 20 CHED C=CCCCC(=O)Nc1sc2c(c1C(=O)O)CCCC2 1573328491 IVUSPEQKLAIPEZ-UHFFFAOYSA-N 293.388 3.620 30 20 CHED N#Cc1ccc(SCC(=O)c2ccoc2)c(Cl)c1 1656378387 OEGMCGDEOCMNDT-UHFFFAOYSA-N 277.732 3.780 30 20 CHED N#Cc1cccc(C(=O)Nc2c(F)cccc2Cl)c1 122237957 JSANYWFTCDGMBA-UHFFFAOYSA-N 274.682 3.603 30 20 CHED N#Cc1ccc(CSc2ccc3c(c2)OCCO3)s1 1652455294 SPKLHWKHFOQSSU-UHFFFAOYSA-N 289.381 3.683 30 20 CHED Cc1nc(N[C@@H]2CCC[C@@H]2C(C)(C)C)ccc1C#N 1651933193 QCHQMIZVUBOCMO-UONOGXRCSA-N 257.381 3.888 30 20 CHED C[C@H]1CCC[C@H](c2noc(-c3ccc(C#N)cc3)n2)C1 230997647 XTRCETSHLIFTMI-FZMZJTMJSA-N 267.332 3.902 30 20 CHED CCOc1cc(Sc2ccc(C#N)c(C)c2)nc(C)n1 1651169338 VGLXKVZDORZRNU-UHFFFAOYSA-N 285.372 3.515 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(C#N)cc1F 1595562946 AANRHAYPXAVRTD-BLLLJJGKSA-N 288.366 3.738 30 20 CHED Cc1cccc2c1CCN2C(=O)Nc1cc(C#N)ccc1F 1678269663 HUGRGKFEGONFGE-UHFFFAOYSA-N 295.317 3.600 30 20 CHED Cc1cc2c(s1)C/C(=C\c1cccc(C(=O)O)c1)C2=O 1777428117 RRYNFGUQGYRDPA-KPKJPENVSA-N 284.336 3.577 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@H](C)C[C@H](C)CC)C1 1776154483 DBEYEGYDYFOAHP-INMHGKMJSA-N 281.440 3.802 30 20 CHED CC(C)c1cccc(C(=O)/C=C\c2cncc(C(=O)O)c2)c1 1776375341 HSHPMDLLIZFIRQ-SREVYHEPSA-N 295.338 3.799 30 20 CHED C[C@H]1C/C(=C\c2ccc(C(=O)O)nc2)C(=O)c2sccc21 1776589504 HMYJROHOZIQCDF-FKVCUQLRSA-N 299.351 3.615 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(F)nc1 1776783937 MDBNNQUHMCGUNP-AWEZNQCLSA-N 296.386 3.514 30 20 CHED Cc1ccc([C@@H](NC(=O)c2cccc(C#N)c2)C2CC2)cc1 14709028 YSOZWTVTEPWBAH-GOSISDBHSA-N 290.366 3.748 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@@H](O)c1ccccc1 17206755 LICUUHGZDORSAJ-CNJGYECJSA-N 291.350 3.698 30 20 CHED C[C@@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 17368352 PUUCKTMKCIBZNQ-AWEZNQCLSA-N 278.355 3.885 30 20 CHED CC[C@H](C(=O)N[C@@H](C#N)c1ccccc1F)c1ccccc1 161450282 BVMBYDXWTCRQIG-YOEHRIQHSA-N 296.345 3.700 30 20 CHED C=C(C)CN(CC)C(=O)c1cnc2c(C)cc(C)cc2c1O 161513432 ZEQQQAGAIYSBDR-UHFFFAOYSA-N 298.386 3.595 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(C)[C@H](C)CC#N)cc1 158887282 MJDOPSIRFVVJTK-ZIAGYGMSSA-N 272.392 3.503 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cc(F)cc(F)c2)CC1 153002130 ZSRCAPQERIANQH-CYBMUJFWSA-N 294.389 3.656 30 20 CHED CC(C)CSCCCN(CC#N)C1CCCC1 154050242 HTFICRFPGBXPSI-UHFFFAOYSA-N 254.443 3.534 30 20 CHED N#CCCN(Cc1cc(F)c(F)c(F)c1)Cc1ccco1 159592510 ORSKHSOWEJUQBB-UHFFFAOYSA-N 294.276 3.613 30 20 CHED CC/N=C(/NCC)N(Cc1ccccc1)Cc1ccccc1 307407782 FADKRKDJBFXNJF-UHFFFAOYSA-N 295.430 3.674 30 20 CHED C[C@@H](NCCC#N)C(c1ccccc1)c1ccccc1 20199769 SVFARQPKWGVFQC-OAHLLOKOSA-N 264.372 3.710 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cncc(F)c1 154340499 HOMJNINMLWUJEH-NEPJUHHUSA-N 269.323 3.504 30 20 CHED C[C@H](Cc1cccs1)N[C@H](C)c1ccc(C#N)cc1 36992915 OMLLKUSQRNZXAB-CHWSQXEVSA-N 270.401 3.902 30 20 CHED N#Cc1cccc(CNc2nccc3sccc23)c1 37749690 VAHAZGDTENVOEG-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 38070534 LQFHQXDQOJACHV-ZDUSSCGKSA-N 250.345 3.896 30 20 CHED C#CCCCNC(=O)c1oc2ccc(Cl)cc2c1C 172930440 KXVPJWUQKROSFM-UHFFFAOYSA-N 275.735 3.538 30 20 CHED Cc1csc(CN[C@H](C)c2ccc(C#N)cc2)c1 344620972 ZPQWNIDHJWLYTO-GFCCVEGCSA-N 256.374 3.779 30 20 CHED N#Cc1sc(N2CC[C@@H]3CCCC[C@@H]3C2)nc1Cl 311136431 KMHFUDOEWPDLHZ-VHSXEESVSA-N 281.812 3.685 30 20 CHED C=C(CC)CNC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 469766304 DCPLLAGMWPLUKR-IRXDYDNUSA-N 286.463 3.699 30 20 CHED N#Cc1cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)ccc1F 701318396 GFZGZVBENFCGBU-UHFFFAOYSA-N 298.104 3.585 30 20 CHED C[C@@H](c1ccccc1)N(CC#N)Cc1ccccc1 343011619 URUTWMSLCXWTJE-HNNXBMFYSA-N 250.345 3.773 30 20 CHED C#CCN(C(=O)c1cccc(C)c1F)C1CCCCC1 688813122 GWRWPEDEHALDEU-UHFFFAOYSA-N 273.351 3.542 30 20 CHED CCC(CC)N(CC)c1nc(Cl)c(C#N)s1 808132659 GSIOTBVSGRAIKP-UHFFFAOYSA-N 257.790 3.683 30 20 CHED CC[C@H](C)[C@H](CNc1ccc(Cl)cc1C#N)OC 394456807 JODMODPAQGHUFN-HZMBPMFUSA-N 266.772 3.685 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CC23CCCCC3)cc1 531907716 RUEUIQBFZUNFDG-OAHLLOKOSA-N 268.360 3.662 30 20 CHED COCCN(CCCCC#N)Cc1ccc(F)cc1Cl 107372500 GJGQIJKZDKYOKW-UHFFFAOYSA-N 298.789 3.621 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](C(=O)OCC)C1 59253093 ASGDCVWIXKFMMM-HNNXBMFYSA-N 297.439 3.539 30 20 CHED N#CC1(COc2ccc(F)c(C(F)(F)F)c2)CCC1 418958118 WNYXZPLUXFXOQJ-UHFFFAOYSA-N 273.229 3.917 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1ccc(C#N)cc1 106862202 NHKSHVCTSCJFOH-AWEZNQCLSA-N 262.356 3.678 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)c1cc(C#N)cs1 176963716 LIYHKXWIXYWRCO-CYBMUJFWSA-N 276.405 3.661 30 20 CHED COc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)cc1 20126494 BGGDTEPGCNKNRH-CYBMUJFWSA-N 282.343 3.771 30 20 CHED Cc1cccc(NC(=O)Nc2ccc(OCC#N)cc2)c1 24689546 NPPHAXVMTKPOKQ-UHFFFAOYSA-N 281.315 3.541 30 20 CHED CC(C)(C)C[C@H](NCC#N)c1ccc(Cl)cc1 179706674 IWWOHGWQCWLDAM-ZDUSSCGKSA-N 250.773 3.930 30 20 CHED C[C@H](C#N)N[C@H](Cc1ccccc1)c1cccs1 116908713 QBJOLFLTRDJJHB-TZMCWYRMSA-N 256.374 3.534 30 20 CHED C[C@H](NC(=O)C(C)(C)C#N)c1ccc(Cl)c(Cl)c1 54990947 KCLGNIZAKYKCBF-QMMMGPOBSA-N 285.174 3.720 30 20 CHED N#Cc1nc(NCCCOC2CCCCC2)ccc1Cl 67348047 DKIYXLASCVREMS-UHFFFAOYSA-N 293.798 3.758 30 20 CHED C[C@@H](SCCOCC(F)(F)F)c1ccc(C#N)cc1 173829253 JPLASTKOZGGOKH-SNVBAGLBSA-N 289.322 3.931 30 20 CHED CC[C@H](C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 66397659 YBAFXCFBQUTAML-WFASDCNBSA-N 272.392 3.711 30 20 CHED O=C(/C=C/C1=Cc2ccccc2OC1)c1ccsc1 171149212 NCYCPSHLAWQNME-AATRIKPKSA-N 268.337 3.963 30 20 CHED C=CCCCC(=O)N(C)Cc1cc(Cl)ccc1OC 175134646 NEMPFNVWTMNWGK-UHFFFAOYSA-N 281.783 3.663 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(Cl)cc1 178394034 PVIHJPHUQSMARO-UHFFFAOYSA-N 270.719 3.772 30 20 CHED N#Cc1nc(Oc2cccc(-n3ccnc3)c2)ccc1Cl 301572751 LHDDXSQQJNAEQI-UHFFFAOYSA-N 296.717 3.585 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CNc1c(C)cccc1C 173320206 RXFIUCRQWAFUCE-UHFFFAOYSA-N 293.370 3.534 30 20 CHED C=CCCCC(=O)Nc1nnc(CCCCC)s1 175215602 GNLQKBVFXXFQKR-UHFFFAOYSA-N 267.398 3.566 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC1CCOCC1 409447420 QAHLZBTZKRNWED-RTBURBONSA-N 298.430 3.575 30 20 CHED N#CCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1 123176295 LNOCISXFTKJZPD-UHFFFAOYSA-N 291.306 3.752 30 20 CHED N#Cc1cccc(OCCCSCCc2ccccn2)c1 126466103 VXTKSRYOPQOMEL-UHFFFAOYSA-N 298.411 3.698 30 20 CHED COc1ccc(CNc2ccc(N(C)C)c(C)c2)cc1C#N 120180115 SBUNBVABWOITKM-UHFFFAOYSA-N 295.386 3.553 30 20 CHED C=CCCCCCCNc1ccc(S(C)(=O)=O)cc1F 313686599 QDHDTNFPKZLKOL-UHFFFAOYSA-N 299.411 3.778 30 20 CHED Cc1nc(CN(Cc2ccc(C#N)cc2)C(C)C)cs1 120559728 PLBLGESCNXJDGG-UHFFFAOYSA-N 285.416 3.734 30 20 CHED CC1(CC(=O)[C@@H](C#N)c2ccccn2)CCCCC1 126061611 GHLRCHITQCGGRF-ZDUSSCGKSA-N 256.349 3.618 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc([C@@H](C)C(=O)OC)c1 412543202 FCIDHCCDMJLKLW-SJKOYZFVSA-N 289.375 3.504 30 20 CHED N#C[C@H](NC(=O)C1CC=CC1)c1cccc(Cl)c1Cl 76996798 MVZZYSKUJSZJDW-LBPRGKRZSA-N 295.169 3.640 30 20 CHED CC[C@H]1C[C@@]1(NC(=O)NCCCCC#N)c1cccc(C)c1 507185136 WCHFQOVBJFZWCU-YJBOKZPZSA-N 299.418 3.613 30 20 CHED COc1ccc2c(c1)OCC[C@@H]2Nc1cccc(F)c1C#N 78380453 ZYWUHWHMTNXPTB-INIZCTEOSA-N 298.317 3.642 30 20 CHED C[C@@H](NCCCSCC#N)C(C)(C)c1ccccc1 181801272 KAOTUVMUPXIKIL-CQSZACIVSA-N 276.449 3.589 30 20 CHED CO[C@H](COc1ccc(C#N)cc1)c1ccc(Cl)cc1 509076170 XMLGDSPUMZPIKP-MRXNPFEDSA-N 287.746 3.978 30 20 CHED CC(C)(C#N)CCCCOc1c(Cl)cncc1[N+](=O)[O-] 506540575 NTMYKLOWQSLKFD-UHFFFAOYSA-N 297.742 3.742 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C)c(O)c1 500004063 OJAPUCPBZHALTA-UHFFFAOYSA-N 287.403 3.909 30 20 CHED C=C(C)CCc1noc(C[C@@H]2CCO[C@H](C(C)C)C2)n1 508663740 HQXKAIXGMZGKDB-KGLIPLIRSA-N 278.396 3.572 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)C1(C)C 32617858 RPLSNDLOPOIEOG-SJORKVTESA-N 296.414 3.755 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c(C)cccc1SC 184636067 KUZNKZFBIBTKTC-GFCCVEGCSA-N 279.405 3.637 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1CC 413829950 WXBVKACIKZERPR-IAGOWNOFSA-N 286.419 3.758 30 20 CHED C[C@@H](NCc1ccc(F)c(C#N)c1)[C@H](C)c1ccccc1 183373657 FVGXJJXTNYFUQO-UONOGXRCSA-N 282.362 3.979 30 20 CHED N#CC1(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)CCC1 418144979 WDTSUODHMQSRMN-IRXDYDNUSA-N 268.404 3.681 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(Cl)cc1C(F)(F)F 491654157 PDYZFCLYOJAAEW-VIFPVBQESA-N 289.684 3.500 30 20 CHED CC1(C)CCCN(Cc2ccccc2Cl)[C@H]1C#N 444739089 ZYTDQXBWONZZBS-AWEZNQCLSA-N 262.784 3.854 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H](Cc2ccccc2)C2CC2)C1 185833676 YQQLQFKIQKWAMD-RYQLBKOJSA-N 268.404 3.680 30 20 CHED Cc1ccc(C#N)c(N2CC[C@H](c3ccccc3)[C@H](C)C2)n1 500290287 QPYIKDPMYUGDMH-KDOFPFPSSA-N 291.398 3.892 30 20 CHED COc1ccc(C#N)cc1COc1cc(F)c(F)cc1C 314400679 WKFVWQLMUIKKKL-UHFFFAOYSA-N 289.281 3.733 30 20 CHED C=CCN(Cc1cccnc1)Cc1ccc(Cl)s1 73887146 YIZKAVVWMJRJHU-UHFFFAOYSA-N 278.808 3.985 30 20 CHED Cc1cnccc1NCCSCc1ccccc1C#N 195337612 UKRMKNXDAXVWSZ-UHFFFAOYSA-N 283.400 3.607 30 20 CHED C=CCCOCC(=O)Nc1ccccc1OC1CCCC1 138608536 HQHCADZCCDIYMI-UHFFFAOYSA-N 289.375 3.539 30 20 CHED COc1cc(C(C)=O)ccc1O[C@@H](C)c1ccc(C#N)cc1 194623565 WREIIJWAWYVVRC-ZDUSSCGKSA-N 295.338 3.909 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(OC)c(F)c2)no1 426459334 KEOGJEVJFSYCGG-UHFFFAOYSA-N 290.338 3.662 30 20 CHED C[C@@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CS1 86934942 QVPWLPPLDLPRPG-KCJUWKMLSA-N 252.770 3.518 30 20 CHED Cc1ncsc1/C=C1/CCOc2ccccc2C1=O 84065583 PPXKGIVYCGNAFD-FLIBITNWSA-N 271.341 3.500 30 20 CHED N#CCCN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 426003178 REYNAPHRILOYMK-UONOGXRCSA-N 282.309 3.845 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1cccc(N2CCCC2)c1 88758882 ZFNNMUAAMSNGQP-AWEZNQCLSA-N 292.386 3.727 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccc(Oc2ccccc2)cc1 45851760 RSWMDYUCHCMHGY-CQSZACIVSA-N 294.354 3.711 30 20 CHED COC1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 130079392 ASOYXJWQAFIAMG-UHFFFAOYSA-N 298.308 3.947 30 20 CHED N#Cc1cc2c(nc1NCCc1ccc(Cl)cc1)CCC2 42245795 RGQCILZASPCOFG-UHFFFAOYSA-N 297.789 3.750 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccncc2)CC1 191603749 SDBOSPWEDDEAMS-OAHLLOKOSA-N 291.398 3.894 30 20 CHED COc1ccc([C@@H](NCC(C)(C)CC#N)C2CC2)c(F)c1 421863243 XDIXZZMTJALGTA-INIZCTEOSA-N 290.382 3.815 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@H](N[C@@H]2CC[C@H](C#N)C2)C1 424322139 HXAMONOQLKGSJM-VVLHAWIVSA-N 283.419 3.698 30 20 CHED CC1(C(=O)NCC#Cc2ccccc2)CCCCCC1 510185015 YXDOPECVYYHHEK-UHFFFAOYSA-N 269.388 3.515 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(Cl)c(F)c1 511021589 DVWVVCZXFZUEQV-LLVKDONJSA-N 298.789 3.704 30 20 CHED C[C@]1(C#N)CCCN(Cc2c(F)cccc2Cl)C1 612165619 RBOINLNEEISWCK-CQSZACIVSA-N 266.747 3.605 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 425412882 ZSXLCMWOPFOHPO-UHFFFAOYSA-N 295.766 3.667 30 20 CHED CC#CCCNCc1ccc(Br)cc1SC 381564047 SLFZFAXILAGKCT-UHFFFAOYSA-N 298.249 3.674 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(OC3CCCCC3)nc2)C1 518473114 NVWRYRORBLIYFD-GOEBONIOSA-N 299.418 3.575 30 20 CHED C[C@@]1(CNCc2ccc(C#N)cc2)C[C@H]1c1ccccc1 339450237 QFNNJTPPTMZVNA-OALUTQOASA-N 276.383 3.842 30 20 CHED CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1nc(C)cs1 192836866 MNMPTIDWWWIZDT-AVGNSLFASA-N 263.410 3.575 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1ccsc1 194614991 KAAPYWQADLMEDL-SNAWJCMRSA-N 250.269 3.922 30 20 CHED COc1ccc(C/N=C(/O)N[C@@H]2CC[C@@H](C)C2)cc1Cl 331228089 ODDHKVASNRDFMO-ZYHUDNBSSA-N 296.798 3.541 30 20 CHED N#Cc1nccnc1Oc1ccc(C2CC2)cc1Cl 334708677 GYQIHXKEVCJUSI-UHFFFAOYSA-N 271.707 3.671 30 20 CHED CCC1(C/N=C(/O)N[C@H](C(=N)O)C(C)(C)C)CCCCC1 330863335 ANGGYRYVLSAILY-GFCCVEGCSA-N 297.443 3.800 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 425467795 FJACWCCSAITHRS-UAGQMJEPSA-N 297.402 3.685 30 20 CHED C=C(CNC(=O)N(CCCC)C1CC1)c1ccccc1 512660417 NCOXKLOYWMYCOK-UHFFFAOYSA-N 272.392 3.674 30 20 CHED C=C(C)[C@H](CC(=O)N1C[C@@H](C)Cc2ccccc21)OCC 339352862 QQFCYIKTOMNUQA-YOEHRIQHSA-N 287.403 3.583 30 20 CHED CC(C)c1ccccc1NC(=O)N[C@@H]1CC[C@H](C#N)C1 335614483 UPDJIVYGWZCMET-QWHCGFSZSA-N 271.364 3.624 30 20 CHED CCCC[C@H](CC)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 330918616 NIIGUJFUULMMJE-IJEWVQPXSA-N 264.413 3.791 30 20 CHED CCCCCCCOc1cccc(OC)c1C=O 915794176 NMDSFDWWZLDRLJ-UHFFFAOYSA-N 250.338 3.857 30 20 CHED C[C@H](N[C@@H](C)[C@H](C)O)c1ccc(-c2cccc(C#N)c2)cc1 515084461 HWGUXNIRJGBBRT-KKUMJFAQSA-N 294.398 3.645 30 20 CHED C=CCCC1(c2nc(Cc3cccc(C)c3)no2)CC1 515913456 GVQYAERVIVMFRE-UHFFFAOYSA-N 268.360 3.967 30 20 CHED C[C@@H]1C(=O)CC[C@H](/C(O)=N/CC[C@H]2CCCCO2)C1(C)C 330003314 ZPLMEVSQQQKMMW-MGPQQGTHSA-N 295.423 3.544 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(C#N)cc1 510586823 BZOSEDXAKORLMZ-UKRRQHHQSA-N 270.376 3.504 30 20 CHED Cc1oc(-c2cccs2)nc1CN(C)CC(C)(C)C#N 433305583 QEQHBWNYTIANAL-UHFFFAOYSA-N 289.404 3.693 30 20 CHED C=CCOc1ccc(CN(C)[C@@H](C)CC#N)cc1Cl 93090435 WYLPVIKGCVXKAQ-LBPRGKRZSA-N 278.783 3.639 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC)c1cc(Cl)ccc1OC 341878279 MUZHVGXCHBIPPM-WFASDCNBSA-N 297.826 3.574 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(-c2nnc(C)o2)cc1 343532316 VUIGYFZFYNVXJG-LBPRGKRZSA-N 299.374 3.520 30 20 CHED C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cc(C#N)n(C)c2)C1 348631711 FTCWENHLTYABTI-BEFAXECRSA-N 293.414 3.870 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 434010786 FSGZPPVOUAIGRP-BZUAXINKSA-N 290.451 3.990 30 20 CHED Cc1nc(C(=O)Nc2ccc(C(C)C)cc2)ccc1C#N 344979769 ULGPXPDHSCSZGT-UHFFFAOYSA-N 279.343 3.637 30 20 CHED Cc1ccccc1-n1ccnc1S[C@H]1CC[C@@H](C#N)C1 430120688 MKKOXEBENUZDSZ-KGLIPLIRSA-N 283.400 3.965 30 20 CHED Cc1cccc([C@H](NCc2ccnc(C#N)c2)C(C)C)c1 528768332 LRZSDFYNJMBKQQ-GOSISDBHSA-N 279.387 3.749 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]1CC(C)C 432263204 GGUCLROWOKKFBD-HNNXBMFYSA-N 285.391 3.909 30 20 CHED CCS[C@H]1CCC[C@@H](N=c2[nH]ccc(C#N)c2Cl)C1 342815564 DJUFXESOAFUGSX-NEPJUHHUSA-N 295.839 3.505 30 20 CHED C=CCOc1ccc(/C=C\c2ccncn2)cc1Cl 255083963 KSYWUCKQRQTYMG-HYXAFXHYSA-N 272.735 3.865 30 20 CHED C=CCOc1ccccc1C(=O)N1C2CCCC1CCC2 607867537 RAIUJCXQNHFFBP-UHFFFAOYSA-N 285.387 3.799 30 20 CHED Cc1ccc(CCNc2nccc(C#N)c2Cl)cc1 342410500 TVPAIHDSPPYVPV-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CCCCCCCNC(=O)N1CCCCCC1 385184321 SNDGSPZLLDOLCI-UHFFFAOYSA-N 252.402 3.709 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 529272240 OABNPBVJLJBRKZ-WSMBLCCSSA-N 287.403 3.803 30 20 CHED C[C@H](CC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccco1 527849471 UHRWJKVAYASBEK-CHWSQXEVSA-N 282.343 3.522 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C)cc1C 436282388 JCRRIWURXKNQJE-NUJGCVRESA-N 273.420 3.935 30 20 CHED C=CCOc1ccc(CNc2snc(C)c2C#N)cc1 343255579 XVSUKMSYCDYHMO-UHFFFAOYSA-N 285.372 3.500 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1 340093041 XHGZOQLYEWWHAW-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=CCOCCCN(C1CCC(C)CC1)C1CC1 347967509 IPOSLCGMVCCRNT-UHFFFAOYSA-N 251.414 3.622 30 20 CHED C=CC[C@H](C)NCc1ncc(Cl)cc1Br 527663061 YCTZOSWPKTUQHK-QMMMGPOBSA-N 289.604 3.552 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2ccc(C#N)s2)c1 255678626 JHDBRJBKXKYLDL-ALCCZGGFSA-N 269.325 3.530 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@H]2CCCC[C@H]2C1 250394486 GGFPBTPCBCIUGH-CVEARBPZSA-N 284.403 3.579 30 20 CHED COc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccc(C#N)cc1 601265400 PQTREWFECZXWNE-BFUOFWGJSA-N 292.382 3.905 30 20 CHED CC[C@@H](CC(F)(F)F)NC1CCC(C)(C#N)CC1 449243409 KOKWOPMXMGSIGD-UNXYVOJBSA-N 262.319 3.779 30 20 CHED Cc1ccc(-c2noc(-c3ccc(C#N)s3)n2)c(F)c1 445396994 BMHUGYOGXKLLKJ-UHFFFAOYSA-N 285.303 3.784 30 20 CHED C[C@H](C#N)CNC(=O)CC1(CCc2ccccc2)CCCC1 524305131 AAPROAWVKBFDMS-MRXNPFEDSA-N 298.430 3.846 30 20 CHED N#Cc1cccc(CN[C@H]2CCCc3c(F)cccc32)c1 449353245 ZGROAKWWNXRZFY-SFHVURJKSA-N 280.346 3.865 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(N(C)C)cc2)o1 255373765 QOMDIOOJGBAIAS-XFFZJAGNSA-N 269.344 3.804 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc2c1CCC2 523510472 KLVVPBWPXWALGL-UHFFFAOYSA-N 271.404 3.994 30 20 CHED Cc1ccc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)s1 255096080 SIWONIGSJCLQFB-SREVYHEPSA-N 274.389 3.973 30 20 CHED CCc1ccc(C=NOCC(=O)Nc2ccccc2C)cc1 255336082 YMIHICQYZBUKGE-UHFFFAOYSA-N 296.370 3.547 30 20 CHED C=C(C)COc1cccc(NC[C@@H](C)CCC#N)c1 602496826 VYMKULLZPGDOIS-AWEZNQCLSA-N 258.365 3.993 30 20 CHED CC1CCC(c2noc(C3(C#N)CCCC3)n2)CC1 356197621 VESPFKFCWJNTKD-UHFFFAOYSA-N 259.353 3.699 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1Cl 602503891 NXYUOGBTQIAJEU-ZDUSSCGKSA-N 292.810 3.529 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C\c2cccs2)s1 255771025 KNBPPXPQBSYZEN-WAYWQWQTSA-N 288.397 3.896 30 20 CHED CC[C@H](NCc1cccc(C#N)n1)c1cccc(Cl)c1 602510751 NBZSFPCMOSKKHY-INIZCTEOSA-N 285.778 3.848 30 20 CHED CCC[C@H](C#N)NC(=O)Cc1ccc(-c2ccccc2)cc1 608815464 QXAPZRRCAUOUDJ-GOSISDBHSA-N 292.382 3.705 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2ccc(C#N)cc2)c1 539594276 LWCFBZJXNCKMRK-UHFFFAOYSA-N 278.355 3.746 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCCC[C@H]1CC(C)C 449974034 LNKPFMKRVOFCAT-HNNXBMFYSA-N 287.407 3.626 30 20 CHED CC[C@@H](CNC[C@H](C)CCC#N)Oc1ccccc1F 602574398 ZZRZJQWYKXRTGE-KGLIPLIRSA-N 278.371 3.513 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(C2=CCCC2)cc1 353281113 BCMLNROCIZMYAT-UHFFFAOYSA-N 282.387 3.876 30 20 CHED COc1cc(C)c([C@H](C)N2CCC[C@H](CC#N)C2)cc1C 602709987 UFNVLGCQEXKBLR-JKSUJKDBSA-N 286.419 3.999 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CCCc1ccccc1 355365316 LDXAKAOYGAIGDY-UHFFFAOYSA-N 293.370 3.561 30 20 CHED CC(C)N(C)c1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442887318 XSNZAZGPAZTRDW-UKRRQHHQSA-N 257.381 3.635 30 20 CHED Cc1nc2c(OCc3ccc(F)cc3C#N)cccc2o1 440088348 NSWRNXVUSOFBJN-UHFFFAOYSA-N 282.274 3.726 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)C1CCC(CC)CC1)OCC 535142534 WGKDUZYDNPNPMM-UYSNPLJNSA-N 281.440 3.785 30 20 CHED C=CCCCCNC(=O)Nc1ccc(F)c(C(C)=O)c1 352109914 OJXJJJISRBNJMW-UHFFFAOYSA-N 278.327 3.506 30 20 CHED CCN(CCC#N)C[C@@H](C)c1cccc(Cl)c1 351518157 LJFJXYWRWRXIKV-GFCCVEGCSA-N 250.773 3.679 30 20 CHED CSc1ccc(NC(=O)N(C)C[C@@H](C)C#N)cc1Cl 267178581 PSHMSPGJTZGNPU-VIFPVBQESA-N 297.811 3.685 30 20 CHED N#Cc1cccc(N2CCC[C@H]2c2ccccc2Cl)n1 530665234 TWZURJLXUXYSJJ-HNNXBMFYSA-N 283.762 3.948 30 20 CHED CO[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 353262771 IXUYPCNYZJBNOG-MOPGFXCFSA-N 292.382 3.523 30 20 CHED Cc1oc2ccc(NC(=O)c3ccc(C#N)[nH]3)cc2c1C 358705767 JFDIDPIDGBHGSI-UHFFFAOYSA-N 279.299 3.502 30 20 CHED N#Cc1cccc(OCCCN2CCC[C@@H]2C2CCC2)c1 357250812 HQDJTLJKNNMMLA-GOSISDBHSA-N 284.403 3.592 30 20 CHED C[C@]1(N[C@H]2CCC[C@H](C#N)C2)CCCc2ccccc21 618573796 QEGNPNATQDXUPM-ZVZYQTTQSA-N 268.404 3.910 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCC(=O)c2ccc(C)cc2)C1 617789984 ZIURNAHTROOFPT-INIZCTEOSA-N 299.414 3.773 30 20 CHED C=CCc1cc(CN2CCC(C)(C)CC2)cc(OC)c1O 536683768 JRXCNKDZTPQXSO-UHFFFAOYSA-N 289.419 3.751 30 20 CHED COCc1cccc(CSc2cccc(C#N)c2)c1 533331567 HVCLUWXZBMVEDB-UHFFFAOYSA-N 269.369 3.997 30 20 CHED Cc1cccc2c(N3CCSC[C@H](C)C3)c(C#N)cnc12 617003369 XAUAZGWBQYKBRN-GFCCVEGCSA-N 297.427 3.604 30 20 CHED CCN(C(=O)Nc1ccc(F)cc1C#N)[C@@H](C)C(C)C 267562793 FQYQRRNFWQUVPM-NSHDSACASA-N 277.343 3.596 30 20 CHED CC(C)=CCSc1c(C#N)nnc2ccccc12 447689942 AHMUVWVAHCSPAE-UHFFFAOYSA-N 255.346 3.560 30 20 CHED C=CCN(C(=O)CCCc1ccc(Cl)cc1)C1CC1 537934360 KNGVAMSGZNATFA-UHFFFAOYSA-N 277.795 3.840 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H]1[C@@H](C)CCC)OCC 535941234 APJJFVUVYRXRCM-JYJNAYRXSA-N 281.440 3.785 30 20 CHED CCCN(CC(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1 610407492 XSUDHHGHIRKCLS-CQSZACIVSA-N 287.407 3.697 30 20 CHED CC(C)(C)CCNC1CCN(Cc2ccc(C#N)cc2)CC1 537292876 BSPLFFJLJKTXGQ-UHFFFAOYSA-N 299.462 3.548 30 20 CHED CCn1nc(N[C@@H](C)c2ccc(C#N)cc2)cc1C1CC1 267462396 ORNOBHVYSPYCRV-LBPRGKRZSA-N 280.375 3.825 30 20 CHED C=CCC1(C(=O)Nc2cccc([C@H](C)C(=O)O)c2)CCC1 263342389 SHVJWLHYDMNPJM-LBPRGKRZSA-N 287.359 3.560 30 20 CHED Cc1cc(CS[C@@H](C)c2cccc(C#N)c2)nn1C 615465837 GRDXLMZDECXNCC-LBPRGKRZSA-N 271.389 3.595 30 20 CHED C[C@@H](Sc1cc(C#N)ccn1)c1ccccc1[N+](=O)[O-] 361443983 WSYYAJKJZHHHBW-SNVBAGLBSA-N 285.328 3.715 30 20 CHED C[C@H](NCCOCC1CCCC1)c1ccc(C#N)c(F)c1 453385749 DNWLJBTURXCFFS-ZDUSSCGKSA-N 290.382 3.555 30 20 CHED Cc1sc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c(C#N)c1C 361819448 NVHCQGQZDRKPTG-DOMZBBRYSA-N 276.405 3.857 30 20 CHED C=CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 537835263 ZJGKLIOLCWDHMD-MRVPVSSYSA-N 272.251 3.573 30 20 CHED C[C@@H](NCc1cc2ccccc2[nH]1)c1cccc(C#N)c1 611438329 VWCFZOGFKRKBJP-CYBMUJFWSA-N 275.355 3.890 30 20 CHED CCSc1cccc(CNCC(C)(C)CC#N)c1 459726898 FQUANWLLTMRDJL-UHFFFAOYSA-N 262.422 3.828 30 20 CHED C[C@H]1C[C@H](C(=O)NCC(C)(C)CCC#N)CC[C@H]1C 451781414 XNTHPSBWZCKTLU-HZSPNIEDSA-N 264.413 3.505 30 20 CHED COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 459650323 MFXKUYZINIEHNX-QLFBSQMISA-N 272.392 3.737 30 20 CHED CCSCCNc1ccc(CC#N)cc1Cl 453136368 UQZOVZJPXMNXDV-UHFFFAOYSA-N 254.786 3.571 30 20 CHED C[C@@H](CC#N)NCCCOc1ccc2ccccc2c1 610769421 NSQJNRIWQFVLQR-AWEZNQCLSA-N 268.360 3.500 30 20 CHED C=CCCCc1nc(-c2cnc(-c3ccccc3)nc2)no1 546383733 PSEJHPXTARIMOC-UHFFFAOYSA-N 292.342 3.702 30 20 CHED C=CCC1(CNC(=O)c2ccc(COC)cc2)CCCC1 456488427 QPCJAVYXWVXZSG-UHFFFAOYSA-N 287.403 3.699 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(OC)c(Cl)c1)OCC 270115167 KOCIRPZUVBZFOL-AWEZNQCLSA-N 297.782 3.658 30 20 CHED CC[C@H](CC#N)NC(=O)CCc1ccc(Cl)c(Cl)c1 273881188 QZFZJPGMYIUINX-LLVKDONJSA-N 299.201 3.734 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1N1CCCCC1 454198785 UFSMUIKZRHWUOD-UHFFFAOYSA-N 287.407 3.765 30 20 CHED C[C@@H](NC(=O)NCCCC#N)c1cccc2ccccc12 273248213 XWYMJRQWXMEAAA-CYBMUJFWSA-N 281.359 3.504 30 20 CHED C[C@@H](c1ccc(C(=O)NCCCCC#N)cc1)C(F)(F)F 455439091 YWZDVRBUOQMRRO-NSHDSACASA-N 298.308 3.776 30 20 CHED C=C(CC)CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 540205350 ZXSLKOIIXDHVRT-HNNXBMFYSA-N 275.367 3.687 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1ccccc1[N+](=O)[O-] 278241728 WJUHMTVDRGQGHT-UHFFFAOYSA-N 289.379 3.747 30 20 CHED N#CC1(c2nc(-c3cccc4[nH]ccc34)no2)CCCC1 273703088 GUJVDOMZOCGVBQ-UHFFFAOYSA-N 278.315 3.553 30 20 CHED CC(C)Cn1ccc2c(C(=O)NCCCCC#N)cccc21 278102358 ZMSIUHDDHXMPIZ-UHFFFAOYSA-N 297.402 3.721 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](COc2ccccc2)C1 272554628 MTAWUOHYSZVYKO-INIZCTEOSA-N 299.414 3.682 30 20 CHED CCCCCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 465447643 ZBLLBCJTAXIUKP-IRXDYDNUSA-N 299.418 3.658 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1cc(C#N)ccc1[N+](=O)[O-] 466542526 AARDOGYWWKYRGQ-VIFPVBQESA-N 287.241 3.609 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCCc2ccccc21 466546947 WSTDDBFKXXXJFW-CRAIPNDOSA-N 271.404 3.825 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1nccn1-c1ccccc1 288197088 NWXQEQFDAHSHSX-KSSFIOAISA-N 297.402 3.652 30 20 CHED C#CC[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 283463085 JDRFTPINKHQOEX-HUUCEWRRSA-N 291.341 3.693 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CCc1ccccc1)C(F)F 623622716 CCZMTGYZKFYOBE-JSGCOSHPSA-N 296.361 3.517 30 20 CHED CN(C(=O)C1(C#N)CCCCC1)c1ccc2cc[nH]c2c1 280728293 YOSXLFLLRIPBGA-UHFFFAOYSA-N 281.359 3.605 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(NC(=O)CC)c1 620861190 FXILXZBMWOSESJ-UHFFFAOYSA-N 288.391 3.510 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1ccc(F)c2ccccc12 554742036 APTLWTNDRXAVTD-KBPBESRZSA-N 287.378 3.957 30 20 CHED CSc1cccc(F)c1CN[C@H]1CCC[C@@H](C#N)C1 287551315 PSWQMNWPOWVWNF-NEPJUHHUSA-N 278.396 3.720 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cnn(-c2ccccc2)c1C 282010051 RDVHGSFMIBWZSE-CQSZACIVSA-N 298.390 3.657 30 20 CHED C=C(C)[C@@H](NCc1ccc(F)cn1)c1ccc(F)c(F)c1 469792864 XLUYOVYDPBYEGX-MRXNPFEDSA-N 292.304 3.906 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(CC(C)C)c1C(F)F 280987246 BWMWULWNAYKORZ-LLVKDONJSA-N 299.365 3.561 30 20 CHED CCc1cc(Oc2cc(C)c(C#N)c(C)c2C)nc(C)n1 553385592 OLJZSHWWOYIKJM-UHFFFAOYSA-N 281.359 3.937 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccccc1SC 281702025 BWQPGBIGGBRJSG-CHWSQXEVSA-N 293.432 3.567 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C 466673158 RALSVYCWFSYZEL-PBHICJAKSA-N 296.455 3.578 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCCc2ncccc21 631581257 VTILFEXAXPGPIB-SFHVURJKSA-N 294.398 3.814 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2cc(OC)ccc2C1 550281491 ITZICILTABHUGG-UHFFFAOYSA-N 287.403 3.572 30 20 CHED C=CCN(CCCN(CC)CC)Cc1ccccc1F 559944260 OHCOBWKJRWRAPW-UHFFFAOYSA-N 278.415 3.546 30 20 CHED Cc1ccc(CN(C)C)cc1N[C@@H]1CCC[C@@H](C#N)C1 463298258 VKESBRNBVPZDND-GDBMZVCRSA-N 271.408 3.551 30 20 CHED CCc1ccccc1NC(=O)[C@H](C)c1cccc(C#N)c1 461765998 GUEMZIOMKJEQBM-CYBMUJFWSA-N 278.355 3.863 30 20 CHED N#Cc1c[nH]c2ccc(Cl)cc2c1=N[C@@H]1CC=CCC1 462865052 ZMXSSSWTARLVDQ-CYBMUJFWSA-N 283.762 3.702 30 20 CHED CC(C)(C#N)CCN1CCCc2cc(F)c(F)cc21 553708566 KNNATRHWDXKIRH-UHFFFAOYSA-N 264.319 3.657 30 20 CHED C=CCC(F)(F)c1nc([C@@H]2Cc3ccc(F)cc32)no1 632220155 DJXAJRRQFBVGDX-LLVKDONJSA-N 280.249 3.565 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccc(CC)cc1)C1CC1 472777583 ZGLIJHACZVOTQV-GOSISDBHSA-N 273.420 3.541 30 20 CHED C[C@@H]1/C(=C/c2cc(O)ccc2[N+](=O)[O-])C(=O)c2ccccc21 809156122 JFSJSAVYDQFIRB-QNKACBJSSA-N 295.294 3.684 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1CCCCC#N 296584678 FCLKGMWOFDWFNR-VYDXJSESSA-N 256.393 3.947 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc2oc(C)nc12 633347241 UWSHKACFKQQLLW-OAHLLOKOSA-N 258.321 3.677 30 20 CHED C=CCCC1(C(=O)N[C@H](C)COc2cccc(C)c2)CC1 475110742 AFULLXKRGAQWRT-OAHLLOKOSA-N 287.403 3.625 30 20 CHED C=CCOc1ccc(CNC(=O)C=C2CCCCC2)cc1 804140403 HTXUMAMILJDKDL-UHFFFAOYSA-N 285.387 3.758 30 20 CHED CC(C)(C)c1ncc(/C=C2\Cc3ccccc3C2=O)cn1 806565406 NFHHTVNUHYHGAR-RIYZIHGNSA-N 278.355 3.597 30 20 CHED CC(C)c1ccc2occ(C(=O)NC(C)(C)C#N)c2c1 564594465 FZQPGKXPWSRKJU-UHFFFAOYSA-N 270.332 3.588 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CCc1ccc(Cl)c(Cl)c1 299654551 LRCFUEWJIQVJKW-JTQLQIEISA-N 299.201 3.544 30 20 CHED Clc1cccc(C#CCN2CCOCc3ccccc32)c1 470926959 VXFSBZNKLXNXTK-UHFFFAOYSA-N 297.785 3.728 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)[C@H]1CC2CCC1CC2 394527497 ZBTMRTRLKOWGFR-PHZSVIKTSA-N 298.430 3.893 30 20 CHED Cc1ccc(OC(F)F)c(CO/N=C2/CCCOCC2)c1 292182310 YFOOYKCICYFRHR-AQTBWJFISA-N 299.317 3.670 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cscc1Cl 640777879 KSMVDEWCSXPAKQ-UHFFFAOYSA-N 258.774 3.735 30 20 CHED C[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)c2nccn21 294040781 IQGMECCYRITRHN-BBRMVZONSA-N 296.374 3.684 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)c(OC)cc2C)CC1 476782615 UUARTHCIPJVPAE-UHFFFAOYSA-N 277.339 3.828 30 20 CHED CN(CCCCC#N)[C@H]1CCC[C@@H]1c1ccccc1 297666924 ZNCWGUTXNOKLAP-SJORKVTESA-N 256.393 3.948 30 20 CHED N#CCCNC[C@H]1CC2c3ccccc3C1c1ccccc12 560830653 DGRUAVFDDBIECB-WPUWVODUSA-N 288.394 3.787 30 20 CHED CC#CC(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 801147616 YQXZSVGLFILZDO-AWEZNQCLSA-N 279.339 3.679 30 20 CHED CCOc1ccccc1C=NOCc1ccc(C#N)cc1F 809804446 FLUXOTDDRNCVSP-UHFFFAOYSA-N 298.317 3.647 30 20 CHED CC#CCCNCc1c(OC(F)F)ccc2ccccc12 482164443 PBLWBTCUQCEAHP-UHFFFAOYSA-N 289.325 3.944 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1F)C2 811695341 DJJSKXFWZDPQED-NTUHNPAUSA-N 281.261 3.659 30 20 CHED Cc1cc(C)cc(NN=Cc2cncn2C(C)C)c1 819805527 XYNSVXILHYJONO-UHFFFAOYSA-N 256.353 3.527 30 20 CHED COc1ccc(C)cc1CSCc1ccc(C#N)cn1 561472772 FZHQAWVGDPIHQD-UHFFFAOYSA-N 284.384 3.704 30 20 CHED COc1cccc(C=NNc2ccc(F)c(F)c2F)c1F 814945170 OQBUTLNGLOTASH-UHFFFAOYSA-N 298.239 3.698 30 20 CHED Oc1ccc(/C=N/[C@@H]2CCCCC23CCCC3)c(O)c1O 812445474 XTEWAKBASWOYBQ-XWAFYUISSA-N 289.375 3.725 30 20 CHED COc1c(C)cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1Cl 818356288 NBPCXDGGRXUAPB-SGMGOOAPSA-N 292.810 4.000 30 20 CHED CSC(C)(C)CC=NNc1nc2cc(F)c(F)cc2[nH]1 814795187 SOSIPOHXMRQVPS-UHFFFAOYSA-N 298.362 3.771 30 20 CHED CSC(C)(C)CC=NOCc1ccc(F)cc1 814903294 BRMMPWHCVYZOIV-UHFFFAOYSA-N 255.358 3.860 30 20 CHED CC[C@@H](C=NNc1cccc(F)n1)c1ccccc1 814927816 HYEGVRHKZOYYFM-LBPRGKRZSA-N 257.312 3.812 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 488939047 JCIJUCGOPUYYAQ-UHFFFAOYSA-N 298.390 3.697 30 20 CHED C=C(C)CSCc1nc(-c2ccc(F)c(C)c2)no1 480363571 KESIHCNHLKSAMB-UHFFFAOYSA-N 278.352 3.993 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NOCCC2CC2)C1 814941017 ADTKXLHELMRZSM-CQSZACIVSA-N 281.396 3.693 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)cc1F 811694324 RNMIMYXLLGBJDR-VOTSOKGWSA-N 294.260 3.604 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(C)c1C 485594150 PCNBLWNGPWXRFW-AWEZNQCLSA-N 258.365 3.876 30 20 CHED Cc1cc(Nc2ccc(C#N)cc2[N+](=O)[O-])ccc1F 488016071 VGWBPYCVRZELPL-UHFFFAOYSA-N 271.251 3.658 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N2CCC(CCC#N)CC2)C1 570723699 UTPQCDDQLCRAPZ-HOCLYGCPSA-N 276.424 3.745 30 20 CHED CC(C)(C)CCCC(=O)OCc1ccc(C#N)cc1F 729027310 XSAJDSKATMCEPG-UHFFFAOYSA-N 277.339 3.957 30 20 CHED CC1(C)CCCN(C/C=C\c2ccc(F)cc2F)[C@H]1C#N 572569258 CITULKOVTUTBBT-IMMZDGJCSA-N 290.357 3.992 30 20 CHED C=CCC[C@@H](CO)NCc1cnc(C2CCCCC2)s1 570667665 PKIDCBKQQIXUKW-AWEZNQCLSA-N 294.464 3.608 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(NC(=O)OCC)cc1 497000470 TYXCIDVMVAZDSN-UHFFFAOYSA-N 290.363 3.796 30 20 CHED C=C(Cl)CSCc1ccc(C(=O)O)c(F)c1 825647345 LGUMBMYOZDFAES-UHFFFAOYSA-N 260.717 3.510 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 498105970 DNLTXFZXURLDPR-SOUVJXGZSA-N 264.413 3.563 30 20 CHED COc1ccccc1N(Cc1cccc(C#N)c1)C(C)C 570250454 QPKATXVKZORAQD-UHFFFAOYSA-N 280.371 3.982 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1 728482154 MIZNNJBJOCXWLW-DLBZAZTESA-N 281.399 3.869 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCc2c(C)cccc21 579618692 HPBQFOWJLNMNQW-OAHLLOKOSA-N 257.377 3.701 30 20 CHED CCN(C(=O)c1ccc(Cl)c(C#N)c1)C1CCCC1 574553414 UWPUUWNLODZAEP-UHFFFAOYSA-N 276.767 3.616 30 20 CHED C[C@]1(COc2ccc(C#N)c(F)c2)CC1(Cl)Cl 829165985 LRCQNEUUWICSIB-LLVKDONJSA-N 274.122 3.660 30 20 CHED CCON=Cc1ccc(Cl)c(C(F)(F)F)c1 727255108 CPEQDVNTDOUZMN-UHFFFAOYSA-N 251.635 3.729 30 20 CHED C=C[C@@](C)(CC)c1nc([C@@H](OCC)C(C)C)no1 904121220 KJTVVSUDJLNBDN-FZMZJTMJSA-N 252.358 3.657 30 20 CHED C=CCCNC(=O)Nc1cnn(C(CC)CC)c1CC 666876149 CIDWJQPHBGWGID-UHFFFAOYSA-N 278.400 3.504 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)NCC(C)(C)CCC#N 491995246 DSVXYTMQFWYGHM-GJZGRUSLSA-N 293.455 3.974 30 20 CHED Cc1ccc(OC[C@H](C)NC2CCC(C)(C#N)CC2)cc1 823729171 CHMMRBXDEIPVTI-HJOIGYKYSA-N 286.419 3.824 30 20 CHED CCO[C@@H]1CCC[C@H](Nc2ccccc2O[C@@H](C)C#N)C1 902946241 ZAAHXAZPPDLJFN-SOUVJXGZSA-N 288.391 3.737 30 20 CHED C=CCCN(C)[C@H](CO)c1cccc(Cl)c1Cl 661639210 PLMSHOPDXSFMNM-GFCCVEGCSA-N 274.191 3.535 30 20 CHED Cc1ccc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)cc1 730085315 NZHWMOZSWWTJEW-MDZDMXLPSA-N 290.366 3.819 30 20 CHED Cc1cc(/C=C2\CCc3c(cnn3C)C2=O)ccc1Cl 588410395 RIBZTQDPNFURQA-XYOKQWHBSA-N 286.762 3.594 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc(O)c(OCC)c2)C1 668493720 RBWHCMPBPVJPAF-AWEZNQCLSA-N 275.392 3.579 30 20 CHED CCOc1cccc(/C=N\[C@H]2CC[C@H](C)CC2)c1O 730950261 BULZLKPVGGFWPG-YCAHFGOMSA-N 261.365 3.789 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C=C\c1cccc(O)c1 493433844 ZLIGHDFQRXKGBJ-HJWRWDBZSA-N 299.395 3.682 30 20 CHED Cc1nonc1CSCc1ccccc1C(C)(C)C#N 902528664 RAORQCRZSNCARX-UHFFFAOYSA-N 287.388 3.613 30 20 CHED N#CC1(c2ccc(-c3ccccc3CO)cc2)CCC1 906179706 XGAPMCPKFYDOQW-UHFFFAOYSA-N 263.340 3.791 30 20 CHED C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C#CC(C)(C)C 837428433 JJVFXHTUFGUZJW-ZFWWWQNUSA-N 287.378 3.580 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(NC(=O)O)cc1 833374025 NYCXTRKOXZCJKR-NSHDSACASA-N 291.351 3.643 30 20 CHED C=CCC1(C(=O)OCc2ccn(C(C)C)n2)CCCC1 835897045 JOEKXNFRJXXPRL-UHFFFAOYSA-N 276.380 3.644 30 20 CHED N#Cc1ccc(Cl)cc1NCCNc1ccccc1 736294259 GAVZXLKLWPDKGX-UHFFFAOYSA-N 271.751 3.736 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Oc1ccc(C#N)cc1 732727119 ZSHWQTDSFAEMAM-MRXNPFEDSA-N 279.339 3.733 30 20 CHED N#CC1(CCCCSC[C@@H]2CC3(CC3)C(=O)O2)CCC1 901788891 ZGSNQGLWBGEINN-ZDUSSCGKSA-N 293.432 3.679 30 20 CHED C#CCCCCNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 830036003 UYPVRWLORFBKQP-MSOLQXFVSA-N 283.415 3.565 30 20 CHED Cc1ccc(N(C)Cc2ccc(OCC#N)cc2)cc1 731212907 WOKNJKWZYMUIOT-UHFFFAOYSA-N 266.344 3.534 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839057897 YTMNKPHZNWQWDW-NFAWXSAZSA-N 289.350 3.630 30 20 CHED CN(CCC#N)c1ccc(CN[C@@H](C2CCC2)C2CC2)cc1 835069426 GVBQCNDWUKSIHV-IBGZPJMESA-N 297.446 3.705 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cc(Cl)c(N)c(Cl)c1 903100333 NZHROLJVYLMQKP-QMMMGPOBSA-N 286.206 3.776 30 20 CHED CCCN(C(=O)c1cc(C#N)c[nH]1)c1ccc(CC)cc1 836850033 LPTSSNGFARBSMM-UHFFFAOYSA-N 281.359 3.506 30 20 CHED C=CCCC[C@H](NCc1cccc(Cl)c1C)C(=O)O 900068577 LFSXYNZHYGVKKQ-AWEZNQCLSA-N 281.783 3.548 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2nncs2)cc1 839348039 IJADAYJEGGGJDV-UHFFFAOYSA-N 299.399 3.727 30 20 CHED CCO[C@@H](c1noc(C2(C#N)CCCCC2)n1)C(C)C 904120414 YOINRUJASBPEOS-GFCCVEGCSA-N 277.368 3.529 30 20 CHED COc1ccccc1C=NNc1cccc(C(F)(F)F)n1 739422297 TYPAYXSZOQCKBP-UHFFFAOYSA-N 295.264 3.555 30 20 CHED Cc1ccc(F)c(/C=C2/COc3ccccc3C2=O)c1 734981231 PETMNDZDVYGYCJ-LCYFTJDESA-N 268.287 3.793 30 20 CHED COc1ccc(C(C)=NOCc2ccccc2)cc1F 839421844 OWMLCJHBWAVEOX-UHFFFAOYSA-N 273.307 3.775 30 20 CHED CC(C)CN(CC(C)C)C(=O)CCCCCC#N 588750792 BAYOFADAOYCLCD-UHFFFAOYSA-N 252.402 3.601 30 20 CHED Cc1ncc(/C=C\C(=O)O[C@H](C)c2cccc(C#N)c2)s1 732902490 HKRCYHCHMHEACT-JMEBYUIHSA-N 298.367 3.641 30 20 CHED CSc1ccc(C=NNc2nc3ccccc3n2C)cc1 915971165 HEWBCSGJLNPSIL-UHFFFAOYSA-N 296.399 3.741 30 20 CHED C=CCCCN1C(=O)S/C(=C\c2cccs2)C1=O 735414327 OJQVHAMYKAORBK-LUAWRHEFSA-N 279.386 3.751 30 20 CHED C=CCC(C)(C)COC(=O)c1coc2c1C(=O)CCC2 835462000 CAZASUHEPDOTBN-UHFFFAOYSA-N 276.332 3.558 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)OC1CCCC1 830236141 TZCDQJQQCOZXQC-UHFFFAOYSA-N 284.359 3.625 30 20 CHED CC[C@H](C)N(CC)Cc1ccc(C#N)cc1OC(F)F 595593688 SOWLUFUWRIWRAN-NSHDSACASA-N 282.334 3.780 30 20 CHED FC(F)(F)c1cccc(NN=Cc2ccco2)c1 916260242 UYGRIUZZYZEWPX-UHFFFAOYSA-N 254.211 3.744 30 20 CHED C[C@H](COCC1CC1)N[C@@H]1CCCCc2cc(C#N)ccc21 593719724 PNNROVRQUHGQSI-AUUYWEPGSA-N 298.430 3.730 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1C(=O)C#CC(C)(C)C 837474020 CSXHBRHFOGMORH-GOSISDBHSA-N 283.415 3.818 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C(\C)C(C)(C)C 742581138 MXYQRCCTWZTADX-FMIVXFBMSA-N 286.375 3.888 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2ccccc2)C1 595831035 KUKYVIHLDSMUHZ-HNAYVOBHSA-N 292.382 3.773 30 20 CHED N#Cc1cccc(-c2ccc(OC[C@H]3CCCO3)cc2)c1 592988035 DSHLXAGOLRZGQH-GOSISDBHSA-N 279.339 3.783 30 20 CHED CCCC[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)C(C)C 598747035 YWGQEFHSXHSCFA-LSDHHAIUSA-N 264.413 3.601 30 20 CHED COc1cccc(C2(NCc3ccccc3C#N)CCC2)c1 594996550 DIDXIFZLNXTJAN-UHFFFAOYSA-N 292.382 3.736 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc2cc(Cl)ccc2s1 597035695 CAUKJWDXTSBCDF-AWEZNQCLSA-N 292.791 3.977 30 20 CHED O=C(O)Cc1ccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 848415497 MSPJLUSFMWNXEK-OJLVUWQFSA-N 298.386 3.538 30 20 CHED COc1ccc(-c2ccc(C3(C#N)CCC3)s2)cn1 592577318 PJRCVDHUXHOWNS-UHFFFAOYSA-N 270.357 3.764 30 20 CHED CCC[C@H](CN[C@H](CC)c1ccc(C#N)cc1)OCC 599062511 XQWFKFAJQXUNQY-IAGOWNOFSA-N 274.408 3.804 30 20 CHED COc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1C 595105985 PVYXXRALYMWBGA-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED C=C(Cl)CNc1cccc(COCCOCC)c1C 849315078 LZFHVIYOJXAIFQ-UHFFFAOYSA-N 283.799 3.713 30 20 CHED N#CCCCOc1cccc(N[C@@H]2CCCn3nccc32)c1 595029593 ZXUBQNNAZPNXHE-MRXNPFEDSA-N 296.374 3.513 30 20 CHED C[C@](C#N)(NC(=O)c1ccsc1Cl)C1CCCCC1 597249599 VTBZNXNYGGMEBQ-CQSZACIVSA-N 296.823 3.994 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 749587133 ADIAOXCUZZPTLG-FNORWQNLSA-N 283.283 3.505 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)c1c(F)cccc1F 917558801 YWNOKGKLXCVAMZ-XPAGJJBOSA-N 291.297 3.859 30 20 CHED N#CCOc1ccc(CSc2ccccc2C#N)cc1 743454155 GOGPIPVIMKXVQN-UHFFFAOYSA-N 280.352 3.753 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)CCc2cc(F)ccc21 747441045 YDPGJCHXNDOYQK-GDNBJRDFSA-N 294.325 3.973 30 20 CHED C=CCOC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 917257487 PVCNJHKWGAZHHX-UHFFFAOYSA-N 299.282 3.730 30 20 CHED C=C(C)COC(=O)c1cccc(-c2csc(C)n2)c1 744040064 HFNDXYNKHGLEJQ-UHFFFAOYSA-N 273.357 3.851 30 20 CHED COc1ccnc(NN=C2CCC[C@H]2c2ccc(C)cc2)n1 741847955 PPPQMPMYTLSNLZ-AWEZNQCLSA-N 296.374 3.529 30 20 CHED C[C@@H](C(=O)OCCCCC#N)c1ccc(Cl)cc1 845333560 ICKKIZXUWNSVBD-LLVKDONJSA-N 265.740 3.681 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(C3CC3)c2)no1 844551400 RTXOPQALWSXRMY-VMPITWQZSA-N 253.301 3.757 30 20 CHED CC[C@H](NCCCSCC#N)c1cc(C)ccc1C 599641563 UXJOHJGBNNYHSC-INIZCTEOSA-N 276.449 3.991 30 20 CHED CCCCCCCN1CCC[C@H](c2ccnc(C)n2)C1 740875894 KZRUCYMMRTXEHD-INIZCTEOSA-N 275.440 3.935 30 20 CHED C#CCCCNC(=O)NCC1CCC(c2ccccc2)CC1 743693204 KSEXSIAXLCVENR-UHFFFAOYSA-N 298.430 3.673 30 20 CHED C=CCCCOC(=O)[C@H]1CCSc2ccccc21 745425482 SKRZFYHZCJUOKG-ZDUSSCGKSA-N 262.374 3.775 30 20 CHED Cc1ccc([C@@H](NC(=O)C#Cc2ccccc2)C2CC2)cc1 747202900 DCFJUEWIIGKDBW-HXUWFJFHSA-N 289.378 3.614 30 20 CHED C#CCN(CC)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 746457081 WGYGHXNOVWQZFS-UHFFFAOYSA-N 297.398 3.680 30 20 CHED C[C@@H]1/C(=C/c2ccnn2CC2CC2)C(=O)c2ccccc21 849249791 LVCNZYRBVPNRLQ-NJPLLEPOSA-N 278.355 3.677 30 20 CHED Cc1ccc2c(c1)CC[C@H]2/N=C\c1cccc(O)c1O 920177864 LWIRONUDASIBBA-YQYFLZKSSA-N 267.328 3.513 30 20 CHED C#CC[C@@H](NC(=O)N(C)Cc1ccsc1)c1ccccc1 757058653 RLXBVQJAQMQQRZ-MRXNPFEDSA-N 298.411 3.654 30 20 CHED Clc1ccc2nc(NN=C3CCCOCC3)sc2c1 853438429 AWBFKYSLWDPXGA-UHFFFAOYSA-N 295.795 3.918 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1O2 925602234 SJDXNLBMLGJPQM-SRVCANOKSA-N 284.403 3.577 30 20 CHED CC(C)(C)C=NNc1ncnc2sc3c(c12)CCC3 755521481 QUOWFBIPOZXIFT-UHFFFAOYSA-N 274.393 3.624 30 20 CHED C#CCNc1ccc(OCc2cccc(F)c2)c(F)c1 754307131 LHXSKRDKRHCPBJ-UHFFFAOYSA-N 273.282 3.589 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1ccc(C#N)c(Cl)n1 752972613 BXEJTIDZEFZNLZ-LLVKDONJSA-N 293.798 3.551 30 20 CHED C=CC[C@H](CC)NC(=O)NC1(c2ccc(F)cc2)CCC1 684893381 JOYYJZHLDAEPCZ-HNNXBMFYSA-N 290.382 3.859 30 20 CHED C=CCCONC(=O)c1sc(C2CCCCC2)nc1C 856034751 UICZBAXXSHQDDP-UHFFFAOYSA-N 294.420 3.737 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2cc(F)ccc2[C@H]1C 684928876 DJJNNUFRGOQZDV-DOMZBBRYSA-N 290.382 3.809 30 20 CHED CCOc1ccc(/C=N/Cc2ccc(C)c(OC)c2)c(O)c1 920174807 QQQHBXXXUROZJW-XDHOZWIPSA-N 299.370 3.727 30 20 CHED CCCCCCCn1nc(C(=O)OC)c(Cl)c1C 758997132 QTMIBTRYOGBFHM-UHFFFAOYSA-N 272.776 3.602 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)C[C@@H](O)c1ccco1 850441670 FPISQQZCDVKTHD-LVQVYYBASA-N 277.408 3.816 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc2cc(O)ccc2c1 755825171 VDANADIXZHMMAI-KRWDZBQOSA-N 285.343 3.813 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCCC(F)(F)C1 851203601 CGNIOFPPUNCYRJ-QWRGUYRKSA-N 273.323 3.683 30 20 CHED CC(C)[C@@H](N[C@@H](C)CC(C)(C)C#N)c1nc(C2CC2)no1 925411001 LISFXWYQOFSBHG-WCQYABFASA-N 290.411 3.562 30 20 CHED CC1CC(CNC(=S)Nc2ccc(C#N)c(Cl)c2)C1 857204812 WNABUCNDXWHCHA-UHFFFAOYSA-N 293.823 3.544 30 20 CHED c1ccc(C(CC2CC2)=NO[C@H]2CCCCO2)cc1 755815936 STFJRZBPCZXXNI-INIZCTEOSA-N 259.349 3.734 30 20 CHED COCCC(=NNc1nccc2sccc12)C(C)C 756832124 BNUMERPVJCGSPV-UHFFFAOYSA-N 277.393 3.757 30 20 CHED Cc1oc2ccccc2c1C=NNc1cccc(C(=O)O)c1 758088821 FBZDMVQSFFOFCB-UHFFFAOYSA-N 294.310 3.885 30 20 CHED CC(C)(C)OC(=O)N[C@H]1CCCC(=NOCC2CCC2)C1 853440707 KSTLLLZOAZOYBY-ZDUSSCGKSA-N 296.411 3.626 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc([N+](=O)[O-])cc1Cl 853301590 IZLDOILRMPFSFT-UHFFFAOYSA-N 294.742 3.976 30 20 CHED C(=NO[C@@H]1CCCCO1)c1cnc(-c2ccccc2)s1 755818530 RVBCDMYXBHUTIS-CQSZACIVSA-N 288.372 3.687 30 20 CHED Fc1cc(Cl)cc(NN=Cc2ccnn2CC2CC2)c1 853395879 NUVKHTRJPGJDOV-UHFFFAOYSA-N 292.745 3.532 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(OC(F)F)cc1 751526405 NBGWGAFIVRQJFA-NSHDSACASA-N 284.306 3.502 30 20 CHED C=CCN(C(=O)Nc1cccc(-c2ccon2)c1)C1CC1 933789044 ANDZBCDIQIZLET-UHFFFAOYSA-N 283.331 3.524 30 20 CHED Cc1ccc(NN=Cc2cc(Cl)ccc2Cl)nn1 753700505 JOGSKRDKHBDHJZ-UHFFFAOYSA-N 281.146 3.538 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1Cl)c1cccnc1 761476626 TZQZFSLKASMCTR-HYXAFXHYSA-N 279.126 3.680 30 20 CHED N#CC1(COC(=O)/C=C\c2ccccc2C(F)(F)F)CC1 869738874 DPWMGGBFLKYHIS-WAYWQWQTSA-N 295.260 3.566 30 20 CHED C=C(Cl)CN1CCC(=Cc2cccc(OC)c2)CC1 760961185 PEZJFFRJOGONNV-UHFFFAOYSA-N 277.795 3.927 30 20 CHED Cc1sc(/C=C\c2ccc(C#N)cc2)cc1C=O 760264801 MSUIYQJHPYBGRU-SREVYHEPSA-N 253.326 3.911 30 20 CHED CC(=NNCC(F)(F)F)c1ccc(Cl)cc1Cl 769809801 GZJYUYOTQPVPTG-UHFFFAOYSA-N 285.096 3.869 30 20 CHED C=C(C)C[C@H](NCc1csc(Cl)c1Cl)C(=O)O 864529518 IUIUVLDTTBCFSZ-QMMMGPOBSA-N 294.203 3.564 30 20 CHED C#C[C@H](C)N(C)C(=O)C(CC)(CC)c1ccc(Cl)cc1 767232899 QXJQNVNGLGDSQM-ZDUSSCGKSA-N 291.822 3.878 30 20 CHED COc1cc(F)ccc1NN=C(C)c1cccc(F)c1 761891198 WOXAILXKPZBZQZ-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CC(CCc1ccccc1F)=NNc1cccc(C)n1 863159684 BPTVULSFCCIPSD-UHFFFAOYSA-N 271.339 3.950 30 20 CHED CCCCCCCCOCC(=O)Nc1ccc(F)nc1 766750440 XORKDTUVHJPOHJ-UHFFFAOYSA-N 282.359 3.536 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1ccc(F)c([N+](=O)[O-])c1 769821938 KQFKWZGBIGJSDS-SNVBAGLBSA-N 299.305 3.742 30 20 CHED C[C@@H](c1cccnc1)N(C)CCCCC1(C#N)CCC1 930117993 AHGFLRASYVGFJI-HNNXBMFYSA-N 271.408 3.939 30 20 CHED C#CCN(CC)C(=O)c1sc(-c2ccccc2)cc1OC 764208280 AYEJWJGSLBFJKW-UHFFFAOYSA-N 299.395 3.519 30 20 CHED C=CCOc1ccc(OC(=O)C2(CCC)CC2)cc1 760572798 RCBIRWOLBUJGBC-UHFFFAOYSA-N 260.333 3.737 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2cnc(C)s2)CCCCC1 1119050659 MNQALIZIXQARJS-GFCCVEGCSA-N 290.432 3.603 30 20 CHED N#Cc1cc(C(=O)OCC[C@H]2CCCc3ccccc32)c[nH]1 763049123 HCXCEGHWIINWKX-CQSZACIVSA-N 294.354 3.553 30 20 CHED Cc1cc(C=NNCc2ccccc2Cl)cnc1Cl 760253875 OHQQBXQKHPMBCS-UHFFFAOYSA-N 294.185 3.821 30 20 CHED C#CCCOc1ccc(CN2[C@H]3CCC[C@H]2CC3)cc1 769450824 HMPVZAKKEFAPQP-IRXDYDNUSA-N 269.388 3.606 30 20 CHED C=C(C)CCOC(=O)c1cc(C)nc2ccccc12 760221101 WMJUYARQMJPZFD-UHFFFAOYSA-N 255.317 3.666 30 20 CHED N#CCOc1ccc(NCc2nc3c(s2)CCCC3)cc1 1116490129 UQKNRBVFTYPYJT-UHFFFAOYSA-N 299.399 3.536 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1occ(C)c1C 1117110204 FYPBDSFCWIUDOI-UHFFFAOYSA-N 276.380 3.689 30 20 CHED CC[C@](C)(NCCOc1ccc(C#N)cc1)c1ccccc1 775390204 KAVWVUGWENQOLN-IBGZPJMESA-N 294.398 3.852 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](CC)[C@H](O)c1c(F)cccc1F 773028929 IODIXWHENUTELQ-VGWHQZGPSA-N 297.389 3.967 30 20 CHED CC1(C#N)CCC(NCc2cccc3ncccc23)CC1 872122837 INNWTZUJGJRUOK-UHFFFAOYSA-N 279.387 3.797 30 20 CHED CC[C@@H](N[C@@H](C)Cc1ccco1)c1ccc(C#N)cc1 774116912 PDIVRDVUHAHDHH-SUMWQHHRSA-N 268.360 3.823 30 20 CHED C=CCC[C@@H](CCC)NC[C@](C)(O)c1ccc(F)cc1 773116871 GBAKYSRATNMTJD-SJORKVTESA-N 279.399 3.758 30 20 CHED Cc1ccccc1SC[C@@H](C)CN[C@@H](C)CC#N 878819682 AOMPMJZXLKWXED-JSGCOSHPSA-N 262.422 3.615 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 777542623 UGSXRGTZOJWPQS-OAHLLOKOSA-N 292.810 3.849 30 20 CHED C(=NOC1CCCC1)c1ccccc1OCc1ccccn1 774609778 YWCKOUXOLGNDNU-UHFFFAOYSA-N 296.370 3.954 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2c(F)cccc2C1 775777315 KPKHDXQIYKCJPP-ZDUSSCGKSA-N 290.382 3.638 30 20 CHED O=C1C/C(=C\c2ccc(F)cc2F)C(=O)c2ccccc2N1 774145452 OHUWIXCGGOBWCE-YRNVUSSQSA-N 299.276 3.573 30 20 CHED CC(C)c1nc(C(=O)O[C@H](C#N)C2CCCCC2)cs1 776381037 CFFJQBXTPVZOOZ-CYBMUJFWSA-N 292.404 3.896 30 20 CHED C#Cc1cccc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c1 779769936 CRRBUHWQYMDXCB-STQMWFEESA-N 255.361 3.679 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N(C)CC#N 775163148 OQBGLHDTGKWCAQ-CQSZACIVSA-N 252.402 3.745 30 20 CHED N#C[C@H](OC(=O)CCC1CCCC1)C1CCCCC1 776359425 JKTXSDPODGAVTG-HNNXBMFYSA-N 263.381 3.972 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2F)C1 888354097 QNCRBEGMXGBKFO-AAEUAGOBSA-N 289.354 3.740 30 20 CHED C=CCC[C@H](C(=O)OCc1cc(C)nn1C)c1ccccc1 777766343 GNTOOVNETLVPEQ-KRWDZBQOSA-N 298.386 3.522 30 20 CHED C#CC[C@@H](NCc1cccc(C)c1O)c1ccccc1 776251926 CYQFOWWPZJDJLN-QGZVFWFLSA-N 265.356 3.555 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2sccc2O)c1 773151165 UZEYRLIJJDPTTM-SREVYHEPSA-N 286.352 3.915 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)/C(C)=C/C)cc1 774575616 NDZSIVIDOKBGNK-WLRTZDKTSA-N 287.359 3.601 30 20 CHED CCCCC[C@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 777409313 XEWLTEBGBNLXMS-NSHDSACASA-N 278.783 3.910 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)C[C@@H]1C=CCCC1 1123062527 SHQSHJGMHGPIFN-HZPDHXFCSA-N 283.371 3.501 30 20 CHED C[C@H](C#N)COC(=O)Cc1coc2ccc3ccccc3c12 770941129 FYCZRNXRUHESNC-GFCCVEGCSA-N 293.322 3.831 30 20 CHED C=C(C)CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 775641979 SNZJMNPYIDHQPB-CABCVRRESA-N 296.455 3.578 30 20 CHED CC#CCCNc1ccc(C(F)(F)F)c(Cl)n1 772159150 MJRYUBPCHAQDQI-UHFFFAOYSA-N 262.662 3.579 30 20 CHED C=CCCC[C@H](N[C@H](C)CC[S@](C)=O)c1ccccc1 883206364 PSWVSSIHDZGRDY-SYNHAJSKSA-N 293.476 3.831 30 20 CHED C[C@@H](OC(=O)c1c[nH]c(C#N)c1)c1cccc2ccccc12 786899600 DLQOSTWYLQHGPT-GFCCVEGCSA-N 290.322 3.958 30 20 CHED C=CCCC[C@H](N[C@H](C)CC[S@@](C)=O)c1ccccc1 883206362 PSWVSSIHDZGRDY-OXFYSEKESA-N 293.476 3.831 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(CC(C)C)cc2)n(C)n1 789160168 UGTHUASVYDYSEB-KTKRTIGZSA-N 282.387 3.823 30 20 CHED Cc1ccc(C(=O)OCCCC(C)(C)C#N)s1 782022196 HHUCIVKRVKVYJH-UHFFFAOYSA-N 251.351 3.543 30 20 CHED COCCCC(C)=NNc1ccc(Cl)c(OC)c1 788471778 HMIABYXTLJZCFO-UHFFFAOYSA-N 270.760 3.563 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2ccncc2c1 1126773195 HFQBQUUQITYLNB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C[C@@H](CC(=O)OCC1(C#N)CC1)c1c[nH]c2ccccc12 787229681 UQJMJRBNRVDLNS-LBPRGKRZSA-N 282.343 3.508 30 20 CHED CC1(C)CCC(=NNc2ccc(Br)nc2)C1 783845001 APLSVLMSMMQYKI-UHFFFAOYSA-N 282.185 3.822 30 20 CHED COc1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)cc1 899336735 YPAXDBRJRYLTPE-BJMVGYQFSA-N 282.343 3.513 30 20 CHED FC(F)(F)c1ccccc1NN=CCC1CCOCC1 788698672 HMYYNBVPUGMVIV-UHFFFAOYSA-N 286.297 3.920 30 20 CHED C#Cc1ccc(NCc2scnc2C2CC2)cc1 898499158 OPKBDGBBMFKYBY-UHFFFAOYSA-N 254.358 3.614 30 20 CHED Cc1cc2cc(NC(=O)c3cc(C#N)ccc3F)ccc2[nH]1 1136210804 RWGJUGVMWFTSMF-UHFFFAOYSA-N 293.301 3.739 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N(CC#N)c2ccccn2)CC(C)(C)C1 892465219 STKDYIRGJKROHX-CABCVRRESA-N 299.418 3.791 30 20 CHED N#Cc1ccc(N[C@H](CCO)C2CCCCC2)cc1Cl 301520652 FMSGITHKZSNGIS-MRXNPFEDSA-N 292.810 3.955 30 20 CHED CC(=NN1CCC(C(C)(C)C)CC1)[C@H]1CCCOC1 790182192 XUIJEHJMNSQOAG-AWEZNQCLSA-N 266.429 3.547 30 20 CHED C=C(C)CNC(=S)N[C@H]1CCC[C@H](c2ccccc2)C1 792697664 DLEGNTROHLYFQL-HOTGVXAUSA-N 288.460 3.753 30 20 CHED C=C1CCC(C(=O)O[C@@H](C)c2ccc3c(c2)CC(=O)N3)CC1 892659436 LNBAFJKZTYDJLI-LBPRGKRZSA-N 299.370 3.532 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1nc(Cl)cs1 799498692 CONMIMJFZBJPFU-AATRIKPKSA-N 274.732 3.564 30 20 CHED C=C1CC(c2noc([C@@H](C)Cc3ccc(C#N)cc3)n2)C1 896873502 BIXAKUGRNOPJQX-LBPRGKRZSA-N 279.343 3.721 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc(Cl)c1)C(C)(C)C 702275869 LVUBOCYGOHFCET-GFCCVEGCSA-N 264.756 3.509 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H]1CCc2cc(Cl)ccc21 795380515 CWSZSGGGWQSCTH-HZMBPMFUSA-N 295.835 3.751 30 20 CHED N#Cc1cccc(-c2csc(-c3ccccc3N)n2)c1 70981977 QDJXQYQBMZVGGC-UHFFFAOYSA-N 277.352 3.931 30 20 CHED C[C@H]1CSCC1=NNc1cccc(C(F)(F)F)c1 794855570 VEFVIZZUAYFVJG-QMMMGPOBSA-N 274.311 3.856 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)cc2)c(Cl)c1 796969001 POCBQCSUQGTCGJ-UITAMQMPSA-N 288.730 3.950 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1 794940596 BGSAODUQCZTKEV-ZHACJKMWSA-N 297.402 3.816 30 20 CHED C#CCOc1cccc(NC(=O)C2CCCCCC2)c1 730980184 TWJSRDNFPHISGH-UHFFFAOYSA-N 271.360 3.608 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cn(C(C)(C)C)nn2)c1 790213680 DEMOUYPPWSLRED-CMDGGOBGSA-N 283.375 3.546 30 20 CHED Cc1ccsc1CN(C)Cc1ccc(C#N)cc1 61798642 XRUNOTKOGKRRCU-UHFFFAOYSA-N 256.374 3.560 30 20 CHED CCn1c(C)cc(C=NOCc2ccccc2OC)c1C 799118520 KBTFKYXBJQWTQL-UHFFFAOYSA-N 286.375 3.684 30 20 CHED CC(C)C[C@H](C)C=NNc1ccc(C(F)(F)F)nn1 799112219 QESZCLBTWURKQL-VIFPVBQESA-N 274.290 3.575 30 20 CHED Cc1ccc(NN=C[C@H](OC(C)C)c2ccccc2)nc1 793005660 YCLVMYYSAMJQMP-INIZCTEOSA-N 283.375 3.954 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3c(c2)OCCO3)oc1C 799896231 HOXRAIWJSNYOSZ-HWKANZROSA-N 284.311 3.564 30 20 CHED CC1(O)CCC(N[C@H]2CCCCc3cc(C#N)ccc32)CC1 795797339 DACUYYQOFCMPEY-AVAKVYKDSA-N 298.430 3.609 30 20 CHED CCCCc1ccc(C(=O)/C=C/c2c(C)cnn2C)cc1 794697198 KPWOSDQBVFRXGG-VAWYXSNFSA-N 282.387 3.967 30 20 CHED COc1cc(F)cc(NN=Cc2ccsc2Cl)c1 790166696 SAMARZBSQAYOOI-UHFFFAOYSA-N 284.743 3.995 30 20 CHED N#Cc1ccc(CSc2cccc(Cl)c2)nc1 571500182 ZFBCASXYNMFBPT-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC(COC(C)C)=NNc1ncc(Cl)cc1Cl 799869917 PHTWUDNRUBVSSH-UHFFFAOYSA-N 276.167 3.601 30 20 CHED CCc1cccc2c1OC/C(=C/c1scnc1C)C2=O 794726825 FMXOWLJYZBXEMO-GHXNOFRVSA-N 285.368 3.673 30 20 CHED C=CCN(Cc1csc(C2CCCC2)n1)[C@@H](C)COC 661242522 BSMVCOCSCZXLMN-ZDUSSCGKSA-N 294.464 3.824 30 20 CHED C[C@H](NCc1cc(C#N)cs1)c1ccc(F)cc1F 93492082 LPTOQWFGSRUIPQ-VIFPVBQESA-N 278.327 3.749 30 20 CHED C[C@@H]1CC[C@H](Nc2nc(C#N)c(Cl)s2)[C@H](C)C1 1306967453 IQOOTGBWDYWETF-HLTSFMKQSA-N 269.801 3.905 30 20 CHED C=C[C@@H](C)NC(=O)c1nc(-c2ccccc2)oc1C(C)C 1319074247 ZVLJNQWZGPFETD-GFCCVEGCSA-N 284.359 3.769 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)Nc1sccc1C#N 1310956739 OJFSNQZGPOLMQM-LLVKDONJSA-N 277.393 3.710 30 20 CHED C[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)n2)[C@@H]1C 1161994396 ZRMQUTCNMKLVEN-CKYFFXLPSA-N 263.772 3.843 30 20 CHED C=CC1CCN(c2cc(C)c3ccccc3n2)CC1 1318368988 AGJPKRUMWHXPPH-UHFFFAOYSA-N 252.361 3.946 30 20 CHED COc1c(Br)cccc1C=NOC(C)(C)C 1324135687 GPLWCGWCDZRCDQ-UHFFFAOYSA-N 286.169 3.607 30 20 CHED CC[C@H]1CCN(c2nc(C)c(C#N)cc2Cl)[C@H]1C 1655393055 VMALMEXRYWEMTP-QWRGUYRKSA-N 263.772 3.540 30 20 CHED CCC[C@](C)(CC)c1nnc(COc2ccc(C#N)cc2)o1 1329294858 CLHYQHJRQVYWKJ-KRWDZBQOSA-N 299.374 3.988 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C#N)C1 1251879209 PTRMWDBTXGSBFH-XHSDSOJGSA-N 291.439 3.538 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1Cc1ccccc1 1336437337 COWODITUODDTOZ-INIZCTEOSA-N 257.377 3.576 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 1331314363 DZFMADNFOZOFKP-ZDUSSCGKSA-N 284.359 3.662 30 20 CHED CC(C)(CNc1ccc(OCC#N)cc1)Oc1ccccc1 1331039616 AOBRXESAUIQSTH-UHFFFAOYSA-N 296.370 3.858 30 20 CHED C=C(C)CCC(=O)Nc1cccc(NCC(F)(F)F)c1 1338983681 QQHPBSMMRIIZQV-UHFFFAOYSA-N 286.297 3.956 30 20 CHED N#C[C@H](C(=O)/C=C/Sc1ccccc1)c1cccc(F)n1 1263378328 BZLBJOUZBSIORK-LXKVQUBZSA-N 298.342 3.703 30 20 CHED C=C[C@H](CC(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1344003444 GVRMOGLSTVGNJP-HIFRSBDPSA-N 294.329 3.757 30 20 CHED C=C(CC)C(=O)N1CCCCC[C@@H]1CC(=O)c1ccco1 1346410101 WXGPNEBTEGNEDH-CQSZACIVSA-N 289.375 3.590 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(C(=O)O)oc1C 1588567971 XQHFGBMWPDHPCC-UHFFFAOYSA-N 299.370 3.865 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCc3ccccc32)c1 1192997645 YDEVMUGKTOJJAG-QGZVFWFLSA-N 291.354 3.676 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C 1354002157 HHDUTQHTPLWYGZ-TYNCELHUSA-N 287.359 3.548 30 20 CHED CCC(=O)c1ccc(NC(=O)c2cccc(C#N)c2C)cc1 1437705052 NKXJSNDRKZHAMH-UHFFFAOYSA-N 292.338 3.712 30 20 CHED CC(C)(C)C#CCOC(=O)c1oc(C2CC2)nc1C(F)F 1514984547 MGXUQCPZGQMEKE-UHFFFAOYSA-N 297.301 3.696 30 20 CHED CC(C)CCN(Cc1cccc(C#N)c1F)C1CC1 223521877 HFGGYGIYQUTIRF-UHFFFAOYSA-N 260.356 3.708 30 20 CHED CCc1ccc(CCC(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 1528082591 ZPEHHLSHSTVERV-SJORKVTESA-N 285.387 3.807 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1ccc(C#N)cc1 1537105676 YCFAHNRYMHABMH-MRXNPFEDSA-N 270.376 3.599 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 1528099374 CHCJSOYAGUXZCT-CZUORRHYSA-N 272.392 3.593 30 20 CHED CC(C)[C@@H]1C[C@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 1465062085 RJQTWPGQRNNEBM-AAEUAGOBSA-N 291.782 3.625 30 20 CHED N#CC[C@H](C(=O)NCC1CCCCCC1)c1ccccc1 1544922073 ZIRZIIHALZPACA-KRWDZBQOSA-N 284.403 3.770 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N(C[C@@H](C)C#N)C1CC1 1546327962 JGZGTXSUVDAXED-DOTOQJQBSA-N 298.430 3.714 30 20 CHED COc1cc(Cl)ccc1Oc1cc(C)c(C#N)cn1 1559215061 FKFOJKQELQQCEW-UHFFFAOYSA-N 274.707 3.716 30 20 CHED C[C@H](Cc1ccccc1F)Nc1ccc(F)cc1C#N 229338521 VCSAFIMHCNIAQQ-LLVKDONJSA-N 272.298 3.880 30 20 CHED Cc1nnc(NCC2(C)CCC(C)(C)CC2)c(C#N)c1C 1640036067 KDMOKKGAJAEKIN-UHFFFAOYSA-N 286.423 3.984 30 20 CHED N#Cc1ccc(F)cc1CN1CCCc2ccccc21 229955829 IEAQDSPXVHJTDN-UHFFFAOYSA-N 266.319 3.650 30 20 CHED Cc1cc(SCC(=O)c2cccc(C#N)c2)ccc1C#N 1644029586 PIDVPXXDEFEPON-UHFFFAOYSA-N 292.363 3.713 30 20 CHED C=C[C@@H](C(=O)Nc1ccc(C)c(C(=O)O)c1)c1ccccc1 1588663439 GJCIARQCMNBEBC-OAHLLOKOSA-N 295.338 3.602 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCc1ccc(C(C)C)cc1 1585343149 SQDYPIQRVYMTGY-KRWDZBQOSA-N 286.419 3.893 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)c1csc(C)c1 1589016349 ITVKQULHXCSJEU-UHFFFAOYSA-N 288.372 3.520 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 1668156868 SNPAEZYXBPZAHK-CQSZACIVSA-N 289.354 3.788 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2cccc(CC#N)c2)cc1 1677654380 XUXBVFOQQKLWEX-AWEZNQCLSA-N 293.370 3.944 30 20 CHED C[C@@H]1C(=NO[C@H](C)c2ccccc2)CC[C@@H]1CC(=O)O 1776083280 VIYPGOCEPNUZBC-OUCADQQQSA-N 275.348 3.641 30 20 CHED O=C(O)c1cncc(C(=O)/C=C/c2ccccc2C2CC2)c1 1777694993 PDLGXTNGAIONRE-BQYQJAHWSA-N 293.322 3.553 30 20 CHED C[C@H]1CC(/N=C/c2c(O)ccc3ccccc23)C[C@@H](C)O1 162455419 UDLZYEDNZLNVIC-QRFPEDGKSA-N 283.371 3.920 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)c([N+](=O)[O-])c2)s1 206429173 ZNTUNGCKZMYALL-XQRVVYSFSA-N 289.312 3.566 30 20 CHED COc1cc(/C=C2/CCCC(C)(C)C2=O)ccc1O 158991064 NKOGHPWOBYBKLJ-XFXZXTDPSA-N 260.333 3.563 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2ccc([N+](=O)[O-])cn2)cc1 160302204 PNHNIXOZYLDUPQ-AWEZNQCLSA-N 299.355 3.525 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCO[C@@H](c2ccccc2)C1 157281173 JTEDTSJLUATCKG-DLBZAZTESA-N 286.419 3.826 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@H]1C 154177673 QLGBGYBUORSNFU-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C=CCN(C)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 157359412 DLZGKDZQMFETHJ-UHFFFAOYSA-N 293.798 3.590 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(CC#N)cc2)CCC1 154863840 SKMRXJRSWRIEIY-UHFFFAOYSA-N 270.376 3.908 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc1C 207527034 LHDFWGARGJJEGM-DAXSKMNVSA-N 298.338 3.614 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H](C)c1ccccc1 917363994 MVVYXQCYYIMAQQ-OAHLLOKOSA-N 272.392 3.578 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 1264297827 VVXNIAAPIQIKTR-XYPYZODXSA-N 276.767 3.976 30 20 CHED N#Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1 15512024 HUUHQGPBZZKBID-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1ccc(Cl)c(C#N)c1 135324236 KDXNHPYROWZSBD-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)cnc1Cl 890023409 BWYQUEGHRISOCW-UHFFFAOYSA-N 293.798 3.588 30 20 CHED Cc1nnc(Nc2cccc(C(C)C)c2)c(C#N)c1C 24054019 MTZWUSLECGLHRW-UHFFFAOYSA-N 266.348 3.832 30 20 CHED C=CCN(C(=O)c1ccc2[nH]c(C)c(C)c2c1)C(C)C 37841806 NNJJYFKVPATACU-UHFFFAOYSA-N 270.376 3.821 30 20 CHED CSc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 44385733 WJUWDLHATZUYAX-UHFFFAOYSA-N 274.389 3.821 30 20 CHED CCC(CC)n1ccc(COc2ccc(C#N)cc2)n1 69994602 JHOGFOKPLVTOPD-UHFFFAOYSA-N 269.348 3.695 30 20 CHED N#CCc1ccc(CSc2cccc(O)c2)cc1 351710567 QXQPFLXIMAWHOY-UHFFFAOYSA-N 255.342 3.751 30 20 CHED CCCCC1CCC(C(=O)NCC2(CC#N)CC2)CC1 404146803 QCXBTWQTNQVRFF-UHFFFAOYSA-N 276.424 3.793 30 20 CHED CCCC[C@H](CC)C(=O)NCc1ccc(C#N)c(F)c1 404568124 FHLLXJNWVMXMES-ZDUSSCGKSA-N 276.355 3.530 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc(Cl)sc1Cl 309437058 HONXCTUWKCOJOV-HTQZYQBOSA-N 280.220 3.907 30 20 CHED Cc1nc(Oc2cccc([N+](=O)[O-])c2)c(Cl)cc1C#N 312836781 DUQHLRJAZPTSEA-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CC[C@H](O)[C@H](CC)Nc1ccc(C(F)(F)F)cc1C#N 313114923 PCBWSNBKHQQQRP-AAEUAGOBSA-N 286.297 3.538 30 20 CHED CC(C)(C)[C@H](NCc1ccc(OCC#N)cc1)C1CC1 323936817 BPGBNHTVNDIMNX-MRXNPFEDSA-N 272.392 3.503 30 20 CHED C#C[C@@H](CCC)NC(=O)c1sccc1-c1ccccc1 700610566 OXGFTSSQOPIBPE-AWEZNQCLSA-N 283.396 3.947 30 20 CHED C=CCCC(=O)N1CCCc2cc(Br)ccc21 338665562 SGKKBQBITLKXKI-UHFFFAOYSA-N 294.192 3.695 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1sc2ccccc2c1Cl 701174664 FRXCDHRZEBSCDQ-JTQLQIEISA-N 292.791 3.833 30 20 CHED C#C[C@](C)(CC)NCc1csc(-c2ccc(F)cc2)n1 384200931 LOZIMYRBYVRDMS-MRXNPFEDSA-N 288.391 3.841 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1Cl)CC(F)F 387368516 YRCSTBSJMYTGRJ-UHFFFAOYSA-N 272.726 3.687 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 393793004 MYUOHXLKYSQIJD-JSGCOSHPSA-N 262.353 3.909 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)ccc1F 398060781 BOPNCVSKAFQARL-SNVBAGLBSA-N 269.747 3.954 30 20 CHED CC(C)C1CCN(Cc2ccc(CC#N)cc2)CC1 399002934 UKZPOTXOMXEBOH-UHFFFAOYSA-N 256.393 3.621 30 20 CHED N#Cc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 51189365 AVIPJUYGZXLRJQ-UHFFFAOYSA-N 293.345 3.511 30 20 CHED N#Cc1cc(Cl)ccc1NCC1CCSCC1 226640574 VRJWJCQYFJPMKT-UHFFFAOYSA-N 266.797 3.767 30 20 CHED N#Cc1ccc(/C=C2/CCc3ccccc3C2=O)s1 176399330 VPFGEVLOJOQNAL-XFXZXTDPSA-N 265.337 3.832 30 20 CHED N#Cc1cccc(SCc2c(F)cccc2[N+](=O)[O-])c1 177109986 UHSSFIFSGWYKDM-UHFFFAOYSA-N 288.303 3.898 30 20 CHED CCc1ccccc1CNc1ccc([N+](=O)[O-])cc1C#N 52202642 LJNGWVLDXJPFMY-UHFFFAOYSA-N 281.315 3.641 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)Cc2ccccc2F)c1 54387632 AJAJCBARERYYMC-CYBMUJFWSA-N 296.345 3.560 30 20 CHED N#CC1(COc2ccc(OC(F)(F)F)cc2)CCC1 418883192 BONBPWKIHYFGFW-UHFFFAOYSA-N 271.238 3.658 30 20 CHED COc1cc(C)ccc1NC(=O)/C=C/c1ccccc1C#N 55819068 CEGIPROSRVTYRW-CSKARUKUSA-N 292.338 3.527 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H](Cc2ccccc2)C1 174873830 WRJCMSDNMDZRFO-KRWDZBQOSA-N 270.420 3.881 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cnc(-c3ccccc3)s2)C1 179901109 DFBLEQOPSJKKOK-DGCLKSJQSA-N 298.367 3.659 30 20 CHED N#Cc1cc(F)c(N[C@@H](CCO)C2CCCCC2)c(F)c1 301546282 OZUZKMLTQZYKML-HNNXBMFYSA-N 294.345 3.580 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1cc(F)ccc1F 174107868 FZPZKVXORCQNMJ-NSHDSACASA-N 284.302 3.552 30 20 CHED CCOc1ccc(OCC)c(NCc2ccc(C#N)cc2)c1 20826838 SVZHHXXNSYPYDF-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CCC(CC)(CC)NCCC(=O)Nc1sccc1C#N 118983217 CXIARFLOMVVMGR-UHFFFAOYSA-N 293.436 3.507 30 20 CHED Cc1ncsc1CN(C)CC#Cc1ccc(Cl)cc1 177154622 YEFIGAVJUAEERW-UHFFFAOYSA-N 290.819 3.588 30 20 CHED C=CCNC(=O)Nc1ccc(NCc2ccc(C)o2)cc1 114767220 UKDBCHOVHZRTNZ-UHFFFAOYSA-N 285.347 3.508 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](C)c1cnc(C)s1 1341165879 KXMURVKQIHNEPQ-YPMHNXCESA-N 293.436 3.653 30 20 CHED C#CC[C@H](C)OC(=O)c1c(-c2ccccc2C)noc1C 1343350479 LRWQEGCOMBRAGX-LBPRGKRZSA-N 283.327 3.527 30 20 CHED CCCOc1ncccc1CN[C@H](C)c1ccc(C#N)cc1 174004634 KRVCRAHJIBEDBT-CQSZACIVSA-N 295.386 3.593 30 20 CHED CCN(Cc1cc(C(C)C)c(C)cc1O)C[C@@H](C)C#N 171065531 WLCVQTAEBKSJMB-ZDUSSCGKSA-N 274.408 3.806 30 20 CHED Cl/C=C/CON=Cc1cscc1Br 308178671 FFOWOJCGQRXZDS-VKJPGEBCSA-N 280.574 3.614 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)NCCCCC#N 179331336 WEBJCFLIAPZMHJ-BENRWUELSA-N 276.767 3.553 30 20 CHED C[C@@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 170945991 HZFOWZDYKQGTNJ-AXTRIDKLSA-N 297.185 3.515 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](C)Cc1cccc(F)c1 173599927 PPYNSXFCTBRAAZ-CQSZACIVSA-N 275.367 3.595 30 20 CHED C[C@H]1COc2ccccc2[C@H]1OC(=O)c1ccc(C#N)s1 1342081439 BEIJGVNRUZYYDH-BONVTDFDSA-N 299.351 3.546 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)C(=O)CCC2 177309868 ZMJBYJOGHIQHRZ-UHFFFAOYSA-N 286.375 3.636 30 20 CHED CC(C)(C#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 120773915 UEJIJRVEVRBSEO-UHFFFAOYSA-N 262.397 3.567 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]2c2cccc(F)c2)ccc1Cl 67369932 IPJFKTWRQDNDKT-WCQYABFASA-N 287.725 3.714 30 20 CHED CCc1ccsc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 120963710 VKAUTQVXFMLEFE-NSHDSACASA-N 295.367 3.677 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CCCCCc1cccs1 67273546 QHQPACOEJONJCM-CQSZACIVSA-N 292.448 3.905 30 20 CHED C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(C#N)cc1 128932975 CZSFTJHHVDOMEY-CYBMUJFWSA-N 286.375 3.625 30 20 CHED C=C(C)CN(C)CCCC(=O)Nc1c(C)cc(C)cc1C 181305909 BTRZUMLSAWVAKI-UHFFFAOYSA-N 288.435 3.838 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCCC1)c1ccccc1F 182043513 WNNFLSRLSWVMSF-LLVKDONJSA-N 261.296 3.514 30 20 CHED N#CCC1(CN[C@H]2CCSc3ccccc32)CC1 430757248 VHQBFUKRHKBXLV-ZDUSSCGKSA-N 258.390 3.507 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 302887840 OCTMBECTXBBLRU-ZIFCJYIRSA-N 285.350 3.570 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)[C@H](C)Cc1ccsc1 186327722 IEGRFKQWKFBUNG-CYBMUJFWSA-N 298.411 3.713 30 20 CHED C=CCN(Cc1ncc(CC)o1)CC1CCCCC1 75739389 UQNMBWGOVCWQAV-UHFFFAOYSA-N 262.397 3.805 30 20 CHED CC(C)CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CC1 74917499 RWWFYQWTMGJEJQ-CQSZACIVSA-N 299.418 3.839 30 20 CHED CSCC(=O)Nc1sc2c(c1C#N)[C@@H](C)C[C@@H](C)C2 410995970 DKJBLCXPBSFHQW-BDAKNGLRSA-N 294.445 3.607 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCc2ccccn2)c1 127449179 SGSORYVGPNJBBW-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=CC(C)(C)CNCc1cn(-c2cccc(F)c2)nc1C 414470140 NXDRIZOQQKKIDU-UHFFFAOYSA-N 287.382 3.622 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(C(F)(F)F)c1 189827402 BFHFDOLBDNCQQA-AWEZNQCLSA-N 285.309 3.924 30 20 CHED C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)c1cccc(C#N)c1 507272322 LCKNYBPVJLKCSZ-CHWSQXEVSA-N 290.370 3.846 30 20 CHED N#CC1(C(=O)N2CCCC3(CCCCC3)CC2)CCC1 364275591 ZMCMVPSWYZLPMJ-UHFFFAOYSA-N 274.408 3.643 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 410135593 GDBHBHBZDDPGLZ-FPMFFAJLSA-N 277.795 3.914 30 20 CHED C=CCCC(=O)Oc1ccc(C(=O)Nc2ccccc2)cc1 182089889 TYYHCGNGDHRXOG-UHFFFAOYSA-N 295.338 3.811 30 20 CHED C=CC[C@H](CC)NC(=O)C/C=C/c1ccccc1F 410135322 FRVWIDIVRIRGFL-RNVIBTMRSA-N 261.340 3.700 30 20 CHED CC(C)Cc1noc(CSCc2ccccc2C#N)n1 79329482 VJPGFPQCDHZPGX-UHFFFAOYSA-N 287.388 3.573 30 20 CHED CCC[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 78380317 HBDLBNYFYRHHEC-CQSZACIVSA-N 258.365 3.678 30 20 CHED C=C[C@H](CC(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1 129338981 PPULPWMXERVNNX-CYBMUJFWSA-N 291.354 3.861 30 20 CHED C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 78973463 ACMADGUEAKTLBR-QWHCGFSZSA-N 295.342 3.878 30 20 CHED C=CC[C@@H](CC)NC(=O)COc1cccc2ccccc12 410138343 REXUSIIEAYDAGE-OAHLLOKOSA-N 283.371 3.690 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccnc(C)c1Cl 124802019 LLLIDDHIYCCPDQ-UHFFFAOYSA-N 264.756 3.750 30 20 CHED CCc1ccc(Nc2nnc(CC)c(CC)c2C#N)cc1 124888382 JAVRJANQHJBPDI-UHFFFAOYSA-N 280.375 3.779 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CCOc1ccccc1 122882884 PWPWILWAUSWZAF-OAHLLOKOSA-N 280.371 3.630 30 20 CHED N#Cc1c(Cl)cccc1N1CCC[C@@H]1c1cccnc1 335946113 CRKXNJMVOUPSMS-OAHLLOKOSA-N 283.762 3.948 30 20 CHED COCc1ccccc1NCc1ccc(C#N)c(C)c1 443993856 CAVIRVCBYYPIPO-UHFFFAOYSA-N 266.344 3.625 30 20 CHED CC[C@@H](CC#N)NC(=O)c1csc(C2CCCCC2)n1 412248248 LYGGBGIDMINOED-LBPRGKRZSA-N 291.420 3.613 30 20 CHED CC(C)Cc1ccc(CCCC(=O)N(C)[C@H](C)C#N)cc1 410881650 DNAMTKFTUXMHQT-OAHLLOKOSA-N 286.419 3.578 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CC1 188810923 LUFOWZZKCCZBHX-PWSUYJOCSA-N 292.329 3.535 30 20 CHED CCS[C@@H]1CCC[C@H](Nc2ncc(C#N)cc2F)C1 413172880 OMEIBFMFVUCKFW-NWDGAFQWSA-N 279.384 3.569 30 20 CHED CCCC[C@H](CC)C(=O)Oc1ccc(C#N)cc1OC 73966337 STMQWUGJQMBRTI-ZDUSSCGKSA-N 275.348 3.689 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(Cl)cccc1OC 182610032 DNBVJRYNJLIBJI-LLVKDONJSA-N 281.783 3.823 30 20 CHED Cc1cc(NC(=O)c2cccc(CC#N)c2)c(C)c(C)c1O 185749779 VWRQNERVJWNHSL-UHFFFAOYSA-N 294.354 3.636 30 20 CHED CC#CCCCc1nc(-c2ccc(F)c(C)c2)no1 184866413 RUIZNZIXZFIBNZ-UHFFFAOYSA-N 258.296 3.530 30 20 CHED Cc1cccc(C2(/N=C(/O)c3cnnc(C)c3)CCCC2)c1 329812661 CJAMYKQLUFFLAJ-UHFFFAOYSA-N 295.386 3.868 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CC)C(F)F 413823873 BGSREAGRNOKTEE-ZIAGYGMSSA-N 296.361 3.517 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1CC(C)(C)C1 507746223 AZDVRFPJEFQNQL-UHFFFAOYSA-N 275.367 3.777 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc(Cl)cc2F)C1 193311162 URCHXXQNJGXJCK-GXFFZTMASA-N 266.747 3.651 30 20 CHED CCCC[C@@H](CC)/C(O)=N/S(=O)(=O)c1ccccc1C 46927962 FAQKTDUECCIIIQ-CYBMUJFWSA-N 297.420 3.857 30 20 CHED COc1ccc(C#N)cc1CN[C@H]1CCCCC1(C)C 130359619 XFGJAHOONOZNLL-INIZCTEOSA-N 272.392 3.625 30 20 CHED C=CCC1(C(=O)N2CCCC[C@H](SCC)C2)CCC1 191625170 KDXAOWRARFJHTN-AWEZNQCLSA-N 281.465 3.867 30 20 CHED C=CCN(CC=C)C(=O)c1cc2cc(Cl)ccc2[nH]1 44290304 RJFRZBAKCFJSLI-UHFFFAOYSA-N 274.751 3.636 30 20 CHED N#Cc1c(F)cccc1COc1ccccc1OC(F)F 427569822 QNKPAERZQSZSKL-UHFFFAOYSA-N 293.244 3.878 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCCc1ccncc1 425529928 DCCUTHJCHLYZSK-HNNXBMFYSA-N 279.387 3.579 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)c(F)cc1F 130962225 NVSFHMPVGSOQOC-UHFFFAOYSA-N 269.266 3.811 30 20 CHED C=CCCO[C@@H](C)C(=O)NCc1ccc(C2CCC2)cc1 427214570 BMFWLKPGJCRPGB-AWEZNQCLSA-N 287.403 3.552 30 20 CHED C[C@H](SC1CCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 518692110 UZMAHURRLXMLPZ-VIFPVBQESA-N 294.807 3.824 30 20 CHED CC(C)Oc1ccccc1CN(CCC#N)Cc1ccco1 81517342 FXLIEIYCUHOPNQ-UHFFFAOYSA-N 298.386 3.983 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC1(C)C 512388273 TVFIIZDUVKQGJA-HNNXBMFYSA-N 272.392 3.573 30 20 CHED CC#CCN(C)C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 518430005 LSLYHJJETLFWNU-IRXDYDNUSA-N 293.451 3.624 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(C#N)s1 420895305 YXKRAEONIHEGDH-GFCCVEGCSA-N 299.399 3.522 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H](CC(F)(F)F)C1 421957621 IRSAMIPGLGRNPM-LBPRGKRZSA-N 289.341 3.946 30 20 CHED C#CCCCC(=O)Oc1ccc2ccc(OC)cc2c1 192089180 CWOPJQDPVKNEJZ-UHFFFAOYSA-N 268.312 3.557 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2cnco2)c1 190776265 NTXOPPIBKILVTQ-INIZCTEOSA-N 270.332 3.882 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccc(Cl)s1 193851523 CVFZRISXQJBCEY-JTQLQIEISA-N 271.813 3.805 30 20 CHED N#Cc1cncnc1S[C@H]1CCCc2ccccc21 335483431 FOEVCGBFHVBOCJ-AWEZNQCLSA-N 267.357 3.518 30 20 CHED Cc1nc(N2CCC[C@@H]2c2cccs2)ccc1C#N 291612495 JSGNEZOBJVUZHP-CYBMUJFWSA-N 269.373 3.665 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[C@@H]1CC[C@H](C#N)C1 424965486 JATUCLCAMNGFLJ-FXUDXRNXSA-N 296.414 3.784 30 20 CHED N#Cc1cccc(NCc2ccc(-c3ccccc3)o2)n1 339217715 IHHYQZKYHHWNOW-UHFFFAOYSA-N 275.311 3.825 30 20 CHED COc1cc(C#N)ccc1CNc1ccc2ccn(C)c2c1 190599859 UCEDOWRJZZLDKF-UHFFFAOYSA-N 291.354 3.671 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCC(C)(C)C#N 512793840 XHOKTUZIROJKRE-LBPRGKRZSA-N 299.374 3.685 30 20 CHED N#CC1(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CCCCC1 510384440 LSHXPIQYMFXXBL-HOTGVXAUSA-N 288.435 3.793 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(C)Cc2ccccc2C1 424766167 PEYSQHZJQYVYSC-UHFFFAOYSA-N 271.404 3.510 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccsc2Cl)C1 616731802 RNOPPBLZXREPRD-LBPRGKRZSA-N 254.786 3.527 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2cccc(C#N)c2C)ccc1F 510200732 NMGLLTZXXLFNLJ-CYBMUJFWSA-N 296.345 3.805 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1C(F)(F)F 425269173 BLGMIQQVOLYPHH-GXSJLCMTSA-N 279.265 3.681 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(C)cc2C)ccc1O 96792760 RXUPUWRXOUAWDI-VURMDHGXSA-N 282.339 3.914 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1O[C@@H](C)C[C@H]1C 330181030 NSKKKZWOGRQPQN-OHUAYANFSA-N 299.374 3.787 30 20 CHED CC[C@@H](/N=C(/O)c1cnc(C(C)C)s1)C1CCOCC1 331307331 FIMDXXWEGJLOCX-GFCCVEGCSA-N 296.436 3.776 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CC[C@@H](C#N)C1 339193524 GZFMHMZTILTKAC-WBVHZDCISA-N 286.423 3.534 30 20 CHED CC1CCC(CC(=O)NCC#Cc2cccc(F)c2)CC1 513191278 INCTWKALTFDJTD-UHFFFAOYSA-N 287.378 3.510 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCC(C)(C)CCC#N 513113651 QNJPREDEKDSAPX-QLFBSQMISA-N 291.439 3.679 30 20 CHED COc1cccc(-c2nc(Cn3ccc(C#N)c3)cs2)c1 339196815 VSHMFBOJAWTRCV-UHFFFAOYSA-N 295.367 3.540 30 20 CHED COc1ccc(C#N)cc1CN1C[C@@H](C)CCC[C@H]1C 438060574 HWWNFFKXMFZGIC-UONOGXRCSA-N 272.392 3.577 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1 345378637 JOIPFCPOBHNRNI-RDJZCZTQSA-N 289.419 3.871 30 20 CHED CC(C)(C)NC(=O)c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 437116214 NBKCIBOVDVLSKO-CZUORRHYSA-N 299.418 3.709 30 20 CHED C=CCC[C@H](NCCN1CCCC[C@@H]1CC)C1CC1 438986735 RIQOJNQXCMZEEC-IRXDYDNUSA-N 264.457 3.585 30 20 CHED C=CCC[C@H](NCc1ccc(F)cc1F)C1CC1 439086492 OXZLNAYVAKGPAG-HNNXBMFYSA-N 251.320 3.799 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 247978231 GHNRTUNIAZIDNY-BZSNNMDCSA-N 296.414 3.733 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1[nH]ccc1C 437187424 FAGQLULSGDIPOL-UHFFFAOYSA-N 268.360 3.542 30 20 CHED C=CCC[C@H](NC(=O)c1cncs1)c1ccccc1 343212462 OIUAXJDMFDKKLF-ZDUSSCGKSA-N 272.373 3.580 30 20 CHED Cc1cc(NCCc2c(C)[nH]c3ccccc23)cc(C#N)n1 342109539 HNPCYGCADGTCIN-UHFFFAOYSA-N 290.370 3.706 30 20 CHED CC(=O)Nc1cccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 346222033 LJCKAFDRWRTTAM-NSHDSACASA-N 297.333 3.829 30 20 CHED C=CCCCSCC(=O)Nc1ccc(C)c(F)c1 609805234 XYBKBMXZLJHYNV-UHFFFAOYSA-N 267.369 3.772 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](Oc2ccccc2Cl)C1 602484536 OACKBHSUKFHTAM-UONOGXRCSA-N 292.810 3.733 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@@H](C)CCC[C@@H]1C 432553128 HKVFFWWMDDPBRX-KBPBESRZSA-N 266.429 3.809 30 20 CHED N#CCCN(CCC#N)Cc1ccc(C2CCCC2)cc1 343746856 XTIIKEJCFSOCMZ-UHFFFAOYSA-N 281.403 3.974 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1ccccc1OC(F)F 602507712 QUUYAKZABZTMJK-RYUDHWBXSA-N 282.334 3.878 30 20 CHED N#C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C1CC1 601070794 UHVDFLVDNWMESL-CQSZACIVSA-N 296.399 3.539 30 20 CHED N#Cc1ccc(N2CCCC[C@@H]2c2ccc(F)cc2F)nc1 432055132 PCQHJCKTLLFTGV-MRXNPFEDSA-N 299.324 3.963 30 20 CHED COCc1ccc(NC(=O)C2(C)CCCCC2)cc1C#N 529818361 YKUXLOJIEABBSH-UHFFFAOYSA-N 286.375 3.614 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(CC#N)c1ccc(F)cc1C 602386292 IRPSIDROFZOJBU-AAEUAGOBSA-N 276.355 3.673 30 20 CHED CCC[C@H](Cc1ccccc1)NC[C@H](C)CCC#N 602529137 DYNTYJNBLZYABW-NVXWUHKLSA-N 258.409 3.927 30 20 CHED CC(C)(C)Oc1cc(F)ccc1NCc1cccc(C#N)n1 602495600 GGMKQJJURFPYTA-UHFFFAOYSA-N 299.349 3.882 30 20 CHED C=C(CN[C@@H](C)c1cccc(CO)c1)c1ccccc1 345171228 UTOKRGICXRPFDD-HNNXBMFYSA-N 267.372 3.543 30 20 CHED C[C@]1(C(=O)Nc2ccc(CC#N)cc2)C[C@H]2CC[C@H]1C2 527703229 XALXESMLXQUHJL-ZQIUZPCESA-N 268.360 3.517 30 20 CHED COc1cc(CNc2cccc(C#N)c2C)ccc1C 446815397 UFMZSTHBHKISNH-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C[C@H]1CCc2c(sc3ncnc(N[C@@H](C)CC#N)c23)C1 604564612 SYLHHNXKWWNPBY-UWVGGRQHSA-N 286.404 3.530 30 20 CHED C[C@H](NCC1(C#N)CC1)c1nc(-c2ccccc2)cs1 348010398 RPUAGUZZUCKBJK-LBPRGKRZSA-N 283.400 3.764 30 20 CHED C=CCCCC(=O)Nc1nnc(/C=C\c2ccco2)s1 255001615 XCOOKDZRPBUBKY-HJWRWDBZSA-N 289.360 3.596 30 20 CHED C=CCCCCCN(C)C(=O)CO[C@H]1CCCC[C@H]1C 606813927 CBTRMRFSCFQKIL-CVEARBPZSA-N 281.440 3.787 30 20 CHED CSc1ccc(C=NNc2nncc3ccccc23)cc1 252610006 HXNOSPRWRIQFFT-UHFFFAOYSA-N 294.383 3.798 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](CC)CCC 606922907 MDPVCSNSDVMHNU-AWEZNQCLSA-N 254.418 3.953 30 20 CHED C[C@@H](CCC#N)CN1CCCn2c(cc3ccccc32)C1 602661672 HUNCJVGGXLLOJO-HNNXBMFYSA-N 281.403 3.787 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)cc1F 255161033 QNQZHMVMTXKEPC-DJWKRKHSSA-N 290.265 3.575 30 20 CHED C=CCC[C@@H](NC(=O)NC(C)(C)CF)c1ccccc1 353237775 NYCUIWFNZRDRHU-CQSZACIVSA-N 278.371 3.741 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@H]1CCCC[C@H]1C 449302791 WBWZQQRNHSLBKS-MTSZKFMLSA-N 265.441 3.772 30 20 CHED N#C[C@@H](C(=O)/C=C\c1cccs1)c1nc2ccccc2o1 255086474 ILDYJBDNNWGLKF-KRZKBDHCSA-N 294.335 3.779 30 20 CHED N#C[C@@H](Sc1nnc(CCCc2ccccc2)o1)C1CC1 601077867 AMRCGAPMDDJYIQ-CQSZACIVSA-N 299.399 3.639 30 20 CHED Cc1csc(-c2noc(/C=C/c3ccccc3C#N)n2)n1 356687852 QESYWKMXTRRAOK-VOTSOKGWSA-N 294.339 3.544 30 20 CHED COc1cccc2c1CCCN2CC(C)(C)CCC#N 354042711 WWXNADTVLLTCPQ-UHFFFAOYSA-N 272.392 3.778 30 20 CHED C=CCCCCCn1cnc2cc(Cl)ccc2c1=O 447286295 SNHNPOHVIZZHSN-UHFFFAOYSA-N 276.767 3.796 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H](Nc2ccccc2)C1 602478575 ZQBPRBLZKHVLMH-DOTOQJQBSA-N 271.408 3.503 30 20 CHED CC[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(OC)cc1 538141763 VBESZJSQCGQVET-LJQANCHMSA-N 297.373 3.927 30 20 CHED C=CCC(CC=C)C(=O)NCc1ncc(-c2ccccc2)o1 532073923 DBVKELXHRJMOAY-UHFFFAOYSA-N 296.370 3.726 30 20 CHED N#Cc1ncccc1N[C@H]1CCc2c(Cl)cccc21 357187575 LXFMSNBWGLJXSP-ZDUSSCGKSA-N 269.735 3.706 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CC[C@@H](C)C1 350740539 DQIDCTVTFYJNLS-MGPQQGTHSA-N 276.428 3.602 30 20 CHED Cc1cc(CSCc2ccc(C#N)cc2C)on1 614395281 KWDZXTGGTFISTA-UHFFFAOYSA-N 258.346 3.597 30 20 CHED COc1cc(CNCc2ccc([C@H]3C[C@H]3C)o2)ccc1C#N 353223301 SPVKZOGPNFXJHE-WBMJQRKESA-N 296.370 3.573 30 20 CHED CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)[C@H](C)c1ccc(C#N)cc1 448777507 MLPOCCFZHYCTDP-NKGKWGDASA-N 296.414 3.904 30 20 CHED Cc1cc(C(=O)N(CCC#N)CCC(C)C)ccc1F 264014251 CLYJGEDUPAJGOS-UHFFFAOYSA-N 276.355 3.536 30 20 CHED CCc1ccc([C@H](C)C(=O)N2CCC[C@@](C)(C#N)C2)cc1 612238311 YQNKAIJWSMJGTK-KSSFIOAISA-N 284.403 3.505 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccccc2SC)C1 617788697 PBOKICHUMAPILI-CYBMUJFWSA-N 275.417 3.837 30 20 CHED Cc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1Br 442859781 REWOGUMJAWMMAI-WCQYABFASA-N 293.208 3.539 30 20 CHED CC#CCNC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 534205012 MMSNWPADUZSRHS-QGZVFWFLSA-N 284.403 3.680 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C2CC2)c(C)c1 355934837 QBUGBNBWEBHKTK-UHFFFAOYSA-N 273.376 3.794 30 20 CHED C=CCC1(C(=O)N(CC)C[C@H](C)C#N)CCCCC1 448722153 ASJHOKNTCLHGTQ-CQSZACIVSA-N 262.397 3.521 30 20 CHED C[C@H](CCC#N)N1CCC[C@@H](c2nc3ccccc3o2)C1 616015962 HQTLRVNAFGWMSQ-ZIAGYGMSSA-N 283.375 3.699 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(CC)c(C)c1)OCC 537691924 DZRNRNYBWVOORB-INIZCTEOSA-N 275.392 3.867 30 20 CHED CC(C)CC(CC(C)C)NC(=O)c1ccc(CC#N)cc1 536104905 VLRMFMRBBNCZMG-UHFFFAOYSA-N 286.419 3.943 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H]1[C@H](C)CCC)OCC 535941241 APJJFVUVYRXRCM-OAGGEKHMSA-N 281.440 3.785 30 20 CHED C=CCC1(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)CCCC1 450229901 DYDVNWIXKSVNDS-HOCLYGCPSA-N 299.414 3.804 30 20 CHED C=CCC1(c2nc(C3CC(F)(F)C3)no2)CCCC1 453183320 HQOVXTVKQGWERU-UHFFFAOYSA-N 268.307 3.970 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 361859906 IHDQDHBVKOHJJE-DYVFJYSZSA-N 287.407 3.735 30 20 CHED C[C@]1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCCS1 611393298 AUECPHKELCYKKR-IAGOWNOFSA-N 286.444 3.811 30 20 CHED CN(CCCc1ccccc1)Cc1ccc(F)cc1C#N 536083445 CWIPPJRKFHCDBM-UHFFFAOYSA-N 282.362 3.762 30 20 CHED C=C(C)CCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 451313374 WACUNJKABWALAJ-AWEZNQCLSA-N 287.325 3.685 30 20 CHED Cc1cc(Cn2cc(C)c(C#N)c2)c2ccccc2n1 531832887 GKARAAYNQQSOTQ-UHFFFAOYSA-N 261.328 3.573 30 20 CHED CCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 618743092 WGTYMJVQUSGPNL-IBGZPJMESA-N 292.382 3.734 30 20 CHED CCCCc1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1 614293068 SZPSYTVOUJGHSA-UHFFFAOYSA-N 294.354 3.859 30 20 CHED C=CCn1c(S[C@H](C)CCC)nnc1-c1ccncc1 267377535 YTQYHMUXXHOFDM-GFCCVEGCSA-N 288.420 3.807 30 20 CHED C=CCC1(C(=O)N2CCc3ccc(F)cc3C2)CCCC1 450177948 ODBYHSJJLTVDID-UHFFFAOYSA-N 287.378 3.847 30 20 CHED CCC[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612236295 GCEPIWMMTVLPQI-WMZOPIPTSA-N 284.403 3.723 30 20 CHED Cc1cccc2cc(C(=O)NCC(C)(C)CC#N)sc12 458046779 VPCFYVAWGVRHGB-UHFFFAOYSA-N 286.400 3.879 30 20 CHED C=C(CNC(=O)N(C)C1CC(C)(C)C1)c1ccccc1 458762416 POYADGNTEFEYKJ-UHFFFAOYSA-N 272.392 3.530 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 618735277 JZXADUCKDDAWDR-LBTNJELSSA-N 296.414 3.878 30 20 CHED CN(C)c1ccccc1-c1noc(C2(C#N)CCCCC2)n1 544972620 MQFDFPKIMMAIEN-UHFFFAOYSA-N 296.374 3.528 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)s2)[C@@H]1c1ccccc1 610520695 HZVWVUPVZRSCES-OAHLLOKOSA-N 296.395 3.843 30 20 CHED C=CC1CCN(C(=O)Cc2c(C)cc(C)cc2C)CC1 540217928 UTFYUSOWSVJWJZ-UHFFFAOYSA-N 271.404 3.579 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCCCC2(F)F)C1 617779107 VNLQASQEXHYDNR-QWHCGFSZSA-N 271.351 3.627 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(OC(C)C)cc1C 547465393 JLHWKUQCRDJHDI-CYBMUJFWSA-N 289.379 3.596 30 20 CHED CS[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)C(C)(C)C 542210858 COBDAWDJVWWKAD-ZDUSSCGKSA-N 293.392 3.656 30 20 CHED CCCCO[C@H](C)C(=O)Nc1ccc(CC#N)cc1Cl 452638804 BDILPOXHYVLSAS-LLVKDONJSA-N 294.782 3.550 30 20 CHED N#Cc1ccnc(S[C@H]2CCCc3ccccc32)n1 450380631 RPMZJSHCTHGORB-AWEZNQCLSA-N 267.357 3.518 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(NC2CCCC2)c1 278807585 HVGONUIJKXNVCB-UHFFFAOYSA-N 285.391 3.919 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@H]1CCc2ccccc21 620858730 PSEMRXRPCHZNHI-HNNXBMFYSA-N 271.404 3.968 30 20 CHED C=C(C)CCNC(=O)c1ccc(SC(C)C)cc1 452726800 WFWAZTBYFWXEPV-UHFFFAOYSA-N 263.406 3.883 30 20 CHED COC[C@@H](c1ccc(Cl)cc1)N(C)CC1(C#N)CCC1 450871212 GJWPXYRUCRVGSR-HNNXBMFYSA-N 292.810 3.653 30 20 CHED CC(C)COc1ccccc1-c1noc([C@]2(C#N)C[C@@H]2C)n1 453082613 MDPXUGUGDMDIOB-SJCJKPOMSA-N 297.358 3.573 30 20 CHED CC(C)(CC#N)CNC/C=C\c1ccc(F)c(F)c1 459683499 BBFHVXGWVQMBHV-ARJAWSKDSA-N 264.319 3.507 30 20 CHED CC(C)CC1(C(=O)NCc2ccc(C#N)c(F)c2)CCC1 456831460 GTYJNZPARAVMHW-UHFFFAOYSA-N 288.366 3.530 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 542716834 ICPWWSODGWPHJA-WDEREUQCSA-N 278.783 3.766 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccnc(-c2ccccc2)c1 629440873 RWDVGPPBQOKUBC-UHFFFAOYSA-N 294.398 3.967 30 20 CHED C=CCN(CC=C)C(=O)NC[C@]1(C)CCCc2ccccc21 540414799 QBZCWRSYRNEEQN-IBGZPJMESA-N 298.430 3.664 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(C2CCC(C)(C)CC2)no1 453174793 AOCRRZXOXXSDJJ-BONVTDFDSA-N 259.353 3.555 30 20 CHED C=CCC1(C(=O)NCC[C@H]2C[C@H](C)O[C@H](C)C2)CCCC1 451522124 GGEVPLBVBPVWJI-MUJYYYPQSA-N 293.451 3.833 30 20 CHED C=CCC[C@H](NC[C@H](OC)c1cccc(OC)c1)C1CC1 624031693 QREDWQGOFXWAIN-ROUUACIJSA-N 289.419 3.717 30 20 CHED C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)c(F)c1 272706366 ZTQUIJMFWBOVQB-IAQYHMDHSA-N 290.382 3.694 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(OC)cc1C 276329072 XXFDCVSACXCUHO-UHFFFAOYSA-N 288.391 3.548 30 20 CHED C[C@H](C(=O)NC[C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 461925939 AMKURGXNYBRMAT-YCPHGPKFSA-N 284.403 3.604 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)c1 374294509 KNNLODBZHLWGHU-IEBWSBKVSA-N 291.398 3.769 30 20 CHED C=CCCN(C)C[C@@H](C)Cc1ccc(OC)c(F)c1 467379166 WBGFWAFYESEMLH-ZDUSSCGKSA-N 265.372 3.521 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N(C)Cc1ccc(C#N)cc1 544403202 YHJGEPQXDVCPBM-CQSZACIVSA-N 286.419 3.979 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)CCC1 629271001 FAZQGBMZDUPIIC-DZGCQCFKSA-N 291.341 3.683 30 20 CHED Cc1ccc(CSCCN[C@@H]2CCC[C@@H](C#N)C2)cc1 463286431 VEXCOOYWYAJYOW-IAGOWNOFSA-N 288.460 3.900 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)CCC1 286436510 SGGBNASABYVRNY-LLVKDONJSA-N 277.339 3.564 30 20 CHED CCOc1cc(C)ccc1CNc1nc(C)cc(C)c1C#N 465050408 JVRPUBIYKOIFBI-UHFFFAOYSA-N 295.386 3.889 30 20 CHED C=CCC[C@H](CC)N[C@@H](COC)c1ccc(CC)o1 462114148 ZNDACFLNJDCPDC-ZFWWWQNUSA-N 265.397 3.864 30 20 CHED C=CCN(CC=C)C(=O)NCC[C@H](C)c1ccccc1 555907483 CUEKQLAFLJPUKH-HNNXBMFYSA-N 272.392 3.564 30 20 CHED CCCC[C@H](C)[C@@H](C)NCCc1cccc(C#N)c1 558167038 WODVZWXCXMTLME-LSDHHAIUSA-N 258.409 3.905 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCCC(C)(C)C1 467886683 JQNZYVYSQBVMKY-HNNXBMFYSA-N 281.440 3.834 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)c1ccccc1SC 281702027 BWQPGBIGGBRJSG-OLZOCXBDSA-N 293.432 3.567 30 20 CHED C=CC[C@H](CC)N[C@@H](C)CC(=O)Nc1ccc(C)cc1C 281162010 BNHYFWAEOKBEDG-HOTGVXAUSA-N 288.435 3.965 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(c1ccnc(C#N)c1)CC2 557647341 URCYIPPJGDZBEB-UHFFFAOYSA-N 291.398 3.813 30 20 CHED C=CCN(c1ccccc1)[C@H](c1nccn1C)C1CC1 639089602 BGBGPKHBAKHTBW-INIZCTEOSA-N 267.376 3.564 30 20 CHED CCSCCCN[C@@H](CC)c1ccc(C#N)cc1 282915810 XOLBQMHIWRODOY-HNNXBMFYSA-N 262.422 3.742 30 20 CHED C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)[C@H]1CCOC1 280897894 CFFQYRIFSUBJKO-LJZFLEOYSA-N 288.174 3.543 30 20 CHED CC#CC(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 283432888 VNQLFGKCMJVPDX-ZDUSSCGKSA-N 269.344 3.756 30 20 CHED C=C(C)COCCNCCc1ccc(C(C)C)cc1 470252200 NCJNVXQLSIRTLT-UHFFFAOYSA-N 261.409 3.535 30 20 CHED Cc1cc(F)ccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 550744620 QHVMCYDXHRQEJR-KRWDZBQOSA-N 288.366 3.727 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccsc1C 639403890 JEJIUTDLKHUYLF-OAHLLOKOSA-N 284.384 3.809 30 20 CHED CN(Cc1cccc(OC(F)(F)F)c1)CC(C)(C)C#N 552086060 WNPROLOAIHOGJY-UHFFFAOYSA-N 286.297 3.567 30 20 CHED C=CCC(CC=C)c1nc([C@@](C)(CC)OC)no1 290000578 CQAXHQQIMUJKCT-CQSZACIVSA-N 250.342 3.577 30 20 CHED COC(=O)c1cccc(NCCCC(C)(C)C#N)c1Cl 292385374 HSPAJBBXIJQHJH-UHFFFAOYSA-N 294.782 3.868 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 479287718 PQFLNKCWXYFMMY-LLVKDONJSA-N 283.824 3.855 30 20 CHED C=CCCCCCCNC(=O)Nc1nc(C)cs1 806106466 UTGMWBDPLYGWKZ-UHFFFAOYSA-N 267.398 3.710 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cc(SC)ccc1C 296724870 CJDQTRNXHZYVGL-UHFFFAOYSA-N 289.404 3.651 30 20 CHED C#C[C@H](CC)NCc1csc(-c2ccc(C)cc2)n1 809686514 XBZYPKGOVKLCSH-CQSZACIVSA-N 270.401 3.620 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1[C@@H]1CC[C@@H](C#N)C1 293218238 VJWKYXVZNCIANR-TXCZRRACSA-N 254.377 3.557 30 20 CHED C#CCCc1noc(CCSc2cccc(Cl)c2)n1 809396448 HHSIEUWREYUZCN-UHFFFAOYSA-N 292.791 3.624 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(NC(=O)OCC)cc1 293101149 SSBMLUOIURQEEF-UHFFFAOYSA-N 290.363 3.796 30 20 CHED C=CCCCCCCNC(=O)NCC[C@H]1CCO[C@@H](C)C1 805277431 BSHUWPXUQQIJCK-HOTGVXAUSA-N 296.455 3.627 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(Cl)nc1 806178776 YPWYNLXYJFNYLO-LLVKDONJSA-N 265.788 3.716 30 20 CHED C#C[C@H](N[C@@H](C)C1CC1)c1ccc(Cl)cc1F 809699605 UVOYWNWXKIRANS-XPTSAGLGSA-N 251.732 3.542 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1c(F)cccc1SC 560997076 ZZLXNTIATOIQPJ-HNNXBMFYSA-N 281.396 3.766 30 20 CHED C=CCc1cc(CN[C@@H]2CC[C@@H]2CC)cc(OC)c1OC 806145986 PYBKMQMIVSCLBL-GOEBONIOSA-N 289.419 3.711 30 20 CHED N#CC1(c2ccccc2)CC(NC[C@H]2CCCC2(F)F)C1 390706595 VIZUOFBLSAGXHT-QQFBHYJXSA-N 290.357 3.635 30 20 CHED C#Cc1ccc(CNCCCO[C@@H](C)c2ccccc2)cc1 809603223 LZBQWGIUXPQGJP-KRWDZBQOSA-N 293.410 3.925 30 20 CHED C#C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)(C)C 807880449 XOIOLYAZNVTUQP-KRWDZBQOSA-N 279.383 3.546 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnn(C(CC)CC)c1C 489711893 GXTCKBAGEPBHRQ-UHFFFAOYSA-N 291.439 3.885 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1cc(C)ccc1OC 816033491 PBVPPMFZJBYFBZ-NSHDSACASA-N 284.302 3.819 30 20 CHED COc1ccc(C(C)=NNc2ccccc2F)c(OC)c1 812459258 UKBLWSWCZUKVMS-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 816021539 RWHDHMZNYNQJFK-NKSUMMKUSA-N 291.341 3.902 30 20 CHED C=CC[C@H](NC(=O)CC(C)(C)C1CC1)c1ccncc1 815622829 GNKHESGJQKNRON-HNNXBMFYSA-N 272.392 3.641 30 20 CHED C=CCn1cccc1C(=O)N1CCCc2c(C)cc(C)cc21 489992456 MNMGAHFUJXZOPK-UHFFFAOYSA-N 294.398 3.884 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2)cc1C 812377172 AGNOOQOWFSZBTI-UHFFFAOYSA-N 258.296 3.589 30 20 CHED Cc1ccc(CCCN2CCC(CCC#N)CC2)cc1 572399112 RSMXVWDHQVRQDX-UHFFFAOYSA-N 270.420 3.943 30 20 CHED CC(=NNC1CC1)c1sc(-c2ccccc2F)nc1C 814902976 LLOSVWPVNMDLAK-UHFFFAOYSA-N 289.379 3.734 30 20 CHED C(/C=C/c1ccco1)=NNc1nnc(-c2ccccc2)s1 814947121 CDDNNLHZLVRVOJ-UGMSAXTLSA-N 296.355 3.909 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Cl)ccc1OCCC 487012436 BEXYXQSHEFSCTA-NSHDSACASA-N 281.783 3.823 30 20 CHED Cc1ccc(C(C)(C)CNC(=O)C2(C#N)CCCC2)c(C)c1 570653131 ZEYNIUHUPDDZQK-UHFFFAOYSA-N 298.430 3.781 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(CC1CC1)CC1CC1 480958437 HYQMYWBJSRYYIT-UHFFFAOYSA-N 283.375 3.521 30 20 CHED Cc1ccc(N(C)[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)cc1 815090256 IEYMGGMKVHBOPY-BHIYHBOVSA-N 297.446 3.588 30 20 CHED C#CCN(C(=O)CCCC(C)(C)C)C1CCCCC1 728820710 BSQKBGZFXCGXOS-UHFFFAOYSA-N 263.425 3.997 30 20 CHED CC(=NNc1ccc(Br)cc1F)c1ccc[nH]1 728432853 FNSHCCMETIETDP-UHFFFAOYSA-N 296.143 3.752 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C/C=C/C 492803878 SRNXEMDNAYTYQH-BLHCBFLLSA-N 287.407 3.501 30 20 CHED C#Cc1cccc(CN[C@H]2CCC[C@@H](c3cccnc3)C2)c1 825227417 TVKLJZHPSDRCBH-QUCCMNQESA-N 290.410 3.879 30 20 CHED C=CCC(C)(C)CN[C@@H](C)CC(=O)Nc1cccc(F)c1 570171579 CGOHBSKUYGFDBS-ZDUSSCGKSA-N 292.398 3.735 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC=C(c2ccccn2)C1 578481444 SBTILRYGZBPUHL-OAHLLOKOSA-N 289.382 3.804 30 20 CHED C=C[C@H](CC)CC(=O)N(OC)[C@@H](C)c1csc(C)n1 821221845 NDQXITBPXXFLFA-CMPLNLGQSA-N 282.409 3.505 30 20 CHED C=CCCNC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 661569359 MTYCFOUOVDOCEW-BJWYYQGGSA-N 284.403 3.683 30 20 CHED C=CCC1(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 827145998 AQEDDYPPKVMXAE-CHWSQXEVSA-N 291.357 3.822 30 20 CHED CCCC[C@H]1CCCC1=NNC(=S)NC(C)(C)C 727256147 IGRIOBWZNVTQJP-NSHDSACASA-N 269.458 3.595 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@]2(C)CC2(Cl)Cl)n1 828790986 NYJLPWZIJJYECP-LBPRGKRZSA-N 284.190 3.566 30 20 CHED CC(C)(NC(=O)Nc1ccc(C#N)cc1)c1ccccc1F 494448336 AKAALVBCNLNIHE-UHFFFAOYSA-N 297.333 3.754 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1c(F)cccc1Cl 495166227 HTBJJWWKDLZSNM-NSHDSACASA-N 296.773 3.729 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@@H](CC)CC(F)(F)F 822680741 GWUUSEHVKLXHER-QWRGUYRKSA-N 265.319 3.684 30 20 CHED C=C(C)C[C@H](NC(C)=O)c1nc([C@@H]2CCCC[C@H]2C)no1 664782343 LFAGQTYLXMZOLZ-BNOWGMLFSA-N 291.395 3.507 30 20 CHED C=CCCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 588023345 SQHGVALCDDUHDA-SFHVURJKSA-N 283.346 3.998 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C\c2cncn2C)cc1 901429887 FGRPMDXDMJDNKG-HJWRWDBZSA-N 268.360 3.515 30 20 CHED Cc1ccc(F)c(C=NNCc2cc(F)ccc2F)c1 734980671 VTHVYPUWEJYGKQ-UHFFFAOYSA-N 278.277 3.536 30 20 CHED N#Cc1sccc1C(=O)N1CCC(C2CCCC2)CC1 906830242 QEEKNUDZZZYQRQ-UHFFFAOYSA-N 288.416 3.662 30 20 CHED CC[C@H](NCCc1cnc(C)s1)c1cccc(C#N)c1 902881607 KSXHDKHIBCLAGX-INIZCTEOSA-N 285.416 3.607 30 20 CHED C[C@@H](NC(=O)CCCCCC#N)[C@H](C)c1ccccc1 588160351 HHHPVBAMLXWGKQ-LSDHHAIUSA-N 272.392 3.769 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCCC[C@@H]3C)[nH]c12 820083992 HPBFFFWCQQSYOP-IACUBPJLSA-N 295.386 3.874 30 20 CHED C=CCN(CCc1ccco1)Cc1ccccc1N(C)C 491399584 XCLKBPWSUATBDQ-UHFFFAOYSA-N 284.403 3.576 30 20 CHED Fc1cc(F)c(NN=Cc2cccs2)cc1F 734301830 RIAWONIPGWKFBE-UHFFFAOYSA-N 256.252 3.611 30 20 CHED C=CCC[C@H](Nc1ccc(C)c(N2CCNC2=O)c1)C1CC1 494446549 VROXMKQGSJFHPZ-INIZCTEOSA-N 299.418 3.681 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)CCCCCC#N)c(C)c1 588157505 ZCUOICDJYLPJHG-MRXNPFEDSA-N 286.419 3.825 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C#CC(C)(C)C)C1 837439778 GNGHOIJBXBPSAU-CJNGLKHVSA-N 287.378 3.785 30 20 CHED C#CCC(C)(C)C(=O)N1CC2(CCCCC2)[C@H]1C(C)C 838130629 QGVGQGXUQZTJDH-OAHLLOKOSA-N 275.436 3.853 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2COc3ccccc32)CCC1 909245266 CCODOXNHBNUTAY-OAHLLOKOSA-N 299.370 3.570 30 20 CHED N#Cc1cnc(/C=C\c2ccc(N3CCCCC3)cc2)cn1 905080038 FYMFKPAGRQVIIN-DAXSKMNVSA-N 290.370 3.509 30 20 CHED C=CCC1(C(=O)OC[C@H]2CCCS2)CCCC1 835194490 KVCBLYIQNVMTEE-GFCCVEGCSA-N 254.395 3.562 30 20 CHED C/C(=C/C(=O)OCC(C)(C)C#N)c1cccc(Cl)c1 588419050 XJTOGLPWAXMWDZ-XFFZJAGNSA-N 277.751 3.836 30 20 CHED C[C@H](CC(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1F 839055136 XNJYCMBLSPFMRC-MCIONIFRSA-N 289.350 3.945 30 20 CHED N#CC1(CCCCN2CCCc3cc(CN)ccc32)CCC1 903716763 RUZFJWOXRJIQMR-UHFFFAOYSA-N 297.446 3.762 30 20 CHED O=C(c1sccc1Cl)N(O)Cc1ccc(F)cc1 900095636 HRNXAKXSNIVIFD-UHFFFAOYSA-N 285.727 3.572 30 20 CHED CC[C@@H](NCCc1ccc(C)cn1)c1cccc(C#N)c1 903017769 YCRVMQFXGAWQEB-GOSISDBHSA-N 279.387 3.545 30 20 CHED C=CCN(Cc1nnc(C(C)(C)C)o1)CC1CCCCC1 732667064 KAPFVSABSHAFGR-UHFFFAOYSA-N 291.439 3.935 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2cn(C)c3ccccc23)cn1 732714420 ROJINWUCDDSCJL-HJWRWDBZSA-N 293.370 3.852 30 20 CHED N#CCCCCCC(=O)Nc1ncc(-c2ccccc2)cn1 588985649 NSDXGXZKAZEZLO-UHFFFAOYSA-N 294.358 3.556 30 20 CHED C=C(CNC(=O)c1cc(C)c(C)s1)c1ccccc1 673342318 GNQJVRIIQBUHMX-UHFFFAOYSA-N 271.385 3.808 30 20 CHED CC(C)COc1ccccc1C(=O)[C@H](C#N)c1ccccn1 731410283 GKZDYHXDIPMCHE-OAHLLOKOSA-N 294.354 3.606 30 20 CHED C=CCONC(=O)Nc1cccc(CSC(C)C)c1C 836429351 QNSOIOROQDOIPY-UHFFFAOYSA-N 294.420 3.876 30 20 CHED CCCc1cc(C(=O)OCCCCC#N)sc1C 912956292 ZKEGPZLJPSBKQI-UHFFFAOYSA-N 265.378 3.860 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1nc(C)no1 836492941 HCGYGBKJLYFKTG-UHFFFAOYSA-N 282.388 3.592 30 20 CHED C=CC1CCN(C(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 599677060 LNCKNCZHZJOZOV-CJNGLKHVSA-N 287.403 3.760 30 20 CHED C#CCCCC(=O)N1CC[C@@H](C)c2cccc(C)c21 839386395 QTLRCRYXZSJXRX-CYBMUJFWSA-N 255.361 3.639 30 20 CHED C#CCOc1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 742651282 ZXBQLSROYIFSCW-QBFSEMIESA-N 271.360 3.630 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNCc2ccccc2F)o1 835010752 GQMAVLVZGNNXTF-SMDDNHRTSA-N 272.323 3.666 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1Nc1snc(C)c1C#N 593488516 KMHMCIYTWQSFQL-GXTWGEPZSA-N 269.373 3.600 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(F)c(C#N)c(F)c1 598461064 FEEXWHGFMKQRMU-CMPLNLGQSA-N 292.329 3.630 30 20 CHED C=CCN(C(=O)NCCCCC1CCCC1)C(C)C 745914286 KJNFSIXYZIRXNB-UHFFFAOYSA-N 266.429 3.953 30 20 CHED N#C[C@@H]1CC[C@@H](NC2(c3ccccc3Cl)CC2)C1 592391750 HQUYONBWTSBPNV-VXGBXAGGSA-N 260.768 3.611 30 20 CHED CCOc1ccccc1C=NOCc1cccc(F)c1 849813819 SVMJTOSYSFWORF-UHFFFAOYSA-N 273.307 3.775 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CCCC1 590748852 JBRLZYCUTHSCTP-KRWDZBQOSA-N 294.398 3.798 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2CCCC(C)(C)C#N 748831723 JKGGLINTFWBZHI-CQSZACIVSA-N 272.392 3.912 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1ccccc1F 915976043 OOBSXWXNJHXXFG-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C#CCN(CC)Cc1ccc(-c2ccccc2C#N)cc1 746456854 NZVOVRCBUPDLLS-UHFFFAOYSA-N 274.367 3.680 30 20 CHED CCCOc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1 917143213 IOFUKNANHACLSJ-LICLKQGHSA-N 296.322 3.797 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(C2CC2)CC1 590008669 QEIRHOWLHVBCHL-ZDUSSCGKSA-N 254.377 3.741 30 20 CHED C[C@H](/N=C/c1ccc(O)c(O)c1O)c1cccc(C2CC2)c1 840705884 GCSKMZYBZVTPEH-VSMYLPJWSA-N 297.354 3.861 30 20 CHED CC(C)C=NNc1ccc(-c2ccc(Cl)s2)nn1 848415853 ZANZCSDEEDDKAC-UHFFFAOYSA-N 280.784 3.912 30 20 CHED C=C(Br)COC(=O)C[C@H](C)CC(C)(C)C 919496216 LEJBVTXFGYQIMD-VIFPVBQESA-N 277.202 3.901 30 20 CHED C=C(C)CONC(=O)N(C)[C@@H](C)c1ccccc1Cl 845593298 NXNZSJYWDNFEKU-NSHDSACASA-N 282.771 3.550 30 20 CHED CCC#C[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1C 677131967 VHPOBFPRAJFTLZ-NSHDSACASA-N 289.379 3.515 30 20 CHED Cc1cc(C#N)ccc1-c1cccc(CO[C@H]2CCOC2)c1 593951548 DWQKPQURLMGTMM-SFHVURJKSA-N 293.366 3.839 30 20 CHED COC1(CON=C(C)c2cc3ccccc3o2)CCC1 842018195 ZALHSCLFBVJDTH-UHFFFAOYSA-N 273.332 3.743 30 20 CHED C[C@@H]1COc2ccccc2N1C(=O)CC1(C#N)CCCCC1 598815674 OBOSTYBQJJQSLE-CQSZACIVSA-N 298.386 3.665 30 20 CHED Cc1cc(C)c(C=NOCc2cccnc2)cc1C 746588787 SFIQGMOTBBNXDZ-UHFFFAOYSA-N 254.333 3.558 30 20 CHED CCCCCCCN1CCC[C@H](CNC(=O)C(C)(C)C)C1 740877221 HBPUPMZSJORNEJ-MRXNPFEDSA-N 296.499 3.831 30 20 CHED Cc1csc([C@@H](C)CNc2ccc(C#N)cc2C)n1 846750877 XBEKMHPWXNTMPN-NSHDSACASA-N 271.389 3.847 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 915339838 MEXWVIMRCSGZIL-DYWXZXKOSA-N 282.387 3.614 30 20 CHED CCCCCCCCC(=O)Nc1cc(CN(C)C)ccn1 748745433 YHGKZOUZWOABKE-UHFFFAOYSA-N 291.439 3.832 30 20 CHED COc1ccccc1/C=C1/Cc2c(F)ccc(F)c2C1=O 749582169 KWZOZMQTXPOTLM-FLIBITNWSA-N 286.277 3.796 30 20 CHED CCOc1ccc(N=Cc2cccc(O)c2O)c(C)c1 917557340 GTHZIZVXETYFNK-UHFFFAOYSA-N 271.316 3.556 30 20 CHED C=CCOc1ccccc1CNC(=O)N(C)C(C)(C)CC 684907161 DLKSQUJOTIYPMG-UHFFFAOYSA-N 290.407 3.581 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC(c2cccc(Cl)c2)CC1 593675929 FBUVWMNECHQLNU-LBPRGKRZSA-N 290.794 3.596 30 20 CHED Cc1ccc([C@H](O)C/N=C\c2c(O)ccc3ccccc23)o1 741165028 DPGNAZFWSHWAES-KLSKMWHSSA-N 295.338 3.599 30 20 CHED COc1cccc(/C=N/CCCC2CCCC2)c1O 918155553 URPPEAIJCSURSP-SFQUDFHCSA-N 261.365 3.790 30 20 CHED C=C(C)CNC(=S)Nc1ccc2oc(C(C)C)nc2c1 914707193 JOQIIWWVAMXQHN-UHFFFAOYSA-N 289.404 3.814 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc2c(c1)CCC(=O)N2 915936026 MMQNQBREQCZHIO-UHFFFAOYSA-N 293.370 3.716 30 20 CHED COc1ccc(Cl)cc1C=NNc1ccccc1 917530299 BFXSRXKRHSMZSG-UHFFFAOYSA-N 260.724 3.795 30 20 CHED C[C@H](C#N)N(Cc1ccc2ccccc2c1)C1CC1 595722108 ZZHAKBYARSFNCR-CYBMUJFWSA-N 250.345 3.716 30 20 CHED S=C(SCC#Cc1ccc(Cl)cc1)N1CCCC1 749136284 UNFHJNYKCDHWOP-UHFFFAOYSA-N 295.860 3.805 30 20 CHED C=C(C)COC(=O)CCc1ccc(Br)cc1 748919423 CTXAESMHZQDART-UHFFFAOYSA-N 283.165 3.501 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)OCC(=O)c2ccc(C#N)cc2)C1 748270362 IULPEHBNKKSPBV-UKRRQHHQSA-N 299.370 3.501 30 20 CHED CCc1ccc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)o1 840715526 FMPVYFGAAHASTH-VURMDHGXSA-N 284.359 3.826 30 20 CHED N#CC1(CCOC(=O)c2cc3occc3[nH]2)CCCCC1 840523714 OUNJBNLHRBUMMV-UHFFFAOYSA-N 286.331 3.782 30 20 CHED CC(=NOCc1cccnc1)c1cccc(Cl)c1 746587242 KKEYRXXTISWXRY-UHFFFAOYSA-N 260.724 3.676 30 20 CHED C=C[C@@](C)(CC)COC(=O)CCc1scnc1C 842344081 XPCGKEUEURSRTD-AWEZNQCLSA-N 267.394 3.530 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCc2ccc(F)cc21 925375890 VBVPAYLGQFXOAZ-XHDPSFHLSA-N 260.356 3.731 30 20 CHED C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc(C#N)c(F)c1 927061718 QUVZFUADPZHVLJ-SJKOYZFVSA-N 295.361 3.821 30 20 CHED CCCOc1cccc(COc2cccc(OCC#N)c2)c1 853720908 PBRXXAAIZUWBHO-UHFFFAOYSA-N 297.354 3.957 30 20 CHED C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)Cc2ccccc21 854256702 ZGDOOVQNSIQNBV-OAHLLOKOSA-N 296.414 3.996 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)OCc2ccccc2C#N)C1 750244693 XBEPYYLEGGQGMG-KGLIPLIRSA-N 271.360 3.818 30 20 CHED CCCCCCCN1CCc2nc(C3CC3)ncc2C1 859795576 PSKLRRAQKXISIT-UHFFFAOYSA-N 273.424 3.683 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccc([N+](=O)[O-])cc1 926893102 PYLPBUPCBBSJRJ-NWDGAFQWSA-N 275.352 3.574 30 20 CHED CC#CCCNC(=O)[C@H](C)c1c(Cl)cccc1Cl 680457121 KYRCXLQYVUUAON-SNVBAGLBSA-N 284.186 3.627 30 20 CHED CCCn1nccc1/C=C1/CSc2ccccc2C1=O 853001884 BTGMQIMGUQSJBI-BENRWUELSA-N 284.384 3.665 30 20 CHED CCOc1ccc(C=NOCc2cc(C3CC3)no2)cc1 853640943 UHELTKQODNZDKK-UHFFFAOYSA-N 286.331 3.501 30 20 CHED C=CCN(C(=O)C[C@H](C=C)c1ccccc1)C(C)C 759010941 TVOZXDZLPXBJHP-HNNXBMFYSA-N 257.377 3.769 30 20 CHED Oc1ccccc1/C=N\[C@H]1CCCOc2ccc(F)cc21 920174779 QBZDQBUFXUVSTO-VUQQOUJSSA-N 285.318 3.864 30 20 CHED CC(=NNc1cc(C)ccn1)c1ccc(F)c(F)c1 755906618 ODOGAQVXQVFSAN-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C=CCc1cc(CN(C)[C@H](C)C(C)(C)C)c(O)c(OC)c1 754724266 SNXFUCOMVWNWFW-CYBMUJFWSA-N 291.435 3.996 30 20 CHED C=C(C)[C@H](CC(=O)OCCCc1ccccc1)OCC 756476222 HMQQRQSGPQZMLZ-INIZCTEOSA-N 276.376 3.534 30 20 CHED C#C[C@H](CC)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 754390695 ZFCJMEKUSZORDL-VXGBXAGGSA-N 297.320 3.727 30 20 CHED COc1ccc(CC[C@H](C)/N=C\c2ccccc2O)cc1 921260908 IBUYUMKFCRJUET-QIQQCEGHSA-N 283.371 3.841 30 20 CHED C(=NNc1nccc2sccc12)C1CCSCC1 853294602 XHGBKEDVHQGXOH-UHFFFAOYSA-N 277.418 3.837 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccccc2C2CC2)n1 751132551 DZKVHLORIWSDDJ-UHFFFAOYSA-N 286.766 3.762 30 20 CHED C#CC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 925636883 FYAIQCCYZPIDIV-HOCLYGCPSA-N 254.377 3.669 30 20 CHED CCCC[C@H](C(=O)OCC1(CC#N)CC1)C(C)C 856976631 QLWMSSWIYJZYAH-ZDUSSCGKSA-N 251.370 3.686 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H]1c1ccncc1 858110674 XUHHXLSNYBLOFZ-INIZCTEOSA-N 289.423 3.899 30 20 CHED CC(C)C1CCC(=Nn2cc(Br)cn2)CC1 752746623 KMNJWUAAYZULOS-UHFFFAOYSA-N 284.201 3.696 30 20 CHED CCCCCCCCNC(=O)NCc1nc(C)cs1 754839363 WWVDTOVUMQMOSK-UHFFFAOYSA-N 283.441 3.611 30 20 CHED C#CC[C@@H](NC(=O)/C=C/C(=C\C)CC)c1ccccc1 757595104 DOKTWRMDKBIEBN-XXQGEAQGSA-N 267.372 3.780 30 20 CHED C#C[C@@H](CC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 754677016 ZFUFBCBYVGCBJQ-ZETCQYMHSA-N 290.577 3.788 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(OC)ccc1OCC 931996914 WUIFHEIKINVJFH-LBPRGKRZSA-N 277.364 3.635 30 20 CHED C#CCOc1ccccc1-c1noc(C(C2CC2)C2CC2)n1 762001420 PRFRCBUKTAZCLP-UHFFFAOYSA-N 294.354 3.652 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCOC2(CCC2)C1 768397334 NHHDYMROVSXKKG-CQSZACIVSA-N 267.413 3.565 30 20 CHED Cc1cc(/C=C\C(=O)c2cnn(C(C)C)c2C)ccc1C#N 766489424 DXZLPRRTXVVOOC-VURMDHGXSA-N 293.370 3.849 30 20 CHED C[C@H]1CCCC(=NNc2ccc(F)c([N+](=O)[O-])c2)[C@H]1C 769829550 SGIHYBGANGYYAB-UWVGGRQHSA-N 279.315 3.958 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(C#N)c(C)c1 766434920 SGZNEGIYKGNNHY-UHFFFAOYSA-N 288.354 3.661 30 20 CHED CCCCCCCNC(=O)CCc1nc2ccccc2[nH]1 862359689 QVUYAGBTDSLFIC-UHFFFAOYSA-N 287.407 3.582 30 20 CHED CN(CCC#N)c1ccc(CN2CCC(C)(C)CC2)cc1 769309126 RBAGCSZGCXXFCE-UHFFFAOYSA-N 285.435 3.658 30 20 CHED C#C[C@H](OC(=O)CCCC(F)(F)F)c1ccc(C)cc1 860963697 BDHYLVIHMMMWMK-ZDUSSCGKSA-N 284.277 3.945 30 20 CHED C[C@@H]1CCC(=NNc2cc(Cl)ccn2)C[C@H]1C 767386812 VZANRNOSTMUUDV-NXEZZACHSA-N 251.761 3.959 30 20 CHED C=C(C)CCOC(=O)CCc1cncc2ccccc12 765612026 ZYDCZYQFTVOYMZ-UHFFFAOYSA-N 269.344 3.677 30 20 CHED CC(C)CC1CCN(C(=O)c2cc(C#N)cs2)CC1 760937969 CMNFEXLOBWVHQE-UHFFFAOYSA-N 276.405 3.518 30 20 CHED C=CC[C@H]1N(Cc2nnc(C(C)(C)C)o2)CCCC1(C)C 769952987 HMBFWAZVEOMONG-CYBMUJFWSA-N 291.439 3.934 30 20 CHED C=CCN(Cc1ccc(OC)c(OCCC)c1)C(C)C 768546657 BVXLDTAXAJBHPX-UHFFFAOYSA-N 277.408 3.880 30 20 CHED CCCCCCCC(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C 866461855 YZXUBMCTFUZXFX-HUUCEWRRSA-N 297.439 3.680 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(C)c1F 760428324 CKQPOTFLHXEXDP-UHFFFAOYSA-N 299.320 3.549 30 20 CHED COc1cc(C)c(NCc2ccc(C#N)c(C)c2)cc1F 767685610 WZBPMYGQUFOXLP-UHFFFAOYSA-N 284.334 3.935 30 20 CHED CC(=NNc1c(C)cccc1F)c1cnc(C)s1 769829121 ZZUNBBDCYFPWEQ-UHFFFAOYSA-N 263.341 3.735 30 20 CHED CC(C)[C@H](O)C1(C/N=C\c2c(O)ccc3ccccc23)CC1 775628894 BCTMHCTXFKPSHY-ISRVBRPNSA-N 297.398 3.761 30 20 CHED CC[C@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 877927612 CMKJVOCGPROCDD-HKUYNNGSSA-N 298.430 3.549 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)c1ccc(C#N)c(Cl)c1 777767738 VELOTUCCGOMFAA-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CCCCC[C@H](C)NC(=O)CC#Cc1ccccc1 1116266666 JGFYSWAHRLVZHG-HNNXBMFYSA-N 257.377 3.513 30 20 CHED CC[C@@H](Oc1ccccc1C)C(=O)OCCC(C)(C)C#N 776394251 WBPNBGPOZIIDDT-CQSZACIVSA-N 289.375 3.636 30 20 CHED Cn1cc(C=NNc2ccc(F)cc2)c(-c2ccccc2)n1 771554441 VYJSEXYCHJMEFU-UHFFFAOYSA-N 294.333 3.672 30 20 CHED O=C1c2ccccc2CN1N=CCSCc1ccccc1 774411416 VIOPEPGYSBCUBC-UHFFFAOYSA-N 296.395 3.562 30 20 CHED C#CC[C@@H](NCc1cccc(N(C)C)c1)c1ccccc1 775400789 MPKMUVVBGFHBMG-LJQANCHMSA-N 278.399 3.607 30 20 CHED Cc1ccc(OCCNc2ccccc2O[C@@H](C)C#N)cc1 779742601 JZWYJZMEWISKTO-HNNXBMFYSA-N 296.370 3.777 30 20 CHED C[C@H](OC(=O)c1c[nH]c(C#N)c1)c1ccc(F)cc1Cl 779206970 VSCDZLRKKCUKFB-QMMMGPOBSA-N 292.697 3.597 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC[C@H](O)c1ccc(C#N)cc1 775683143 UHMDRBCRIFNAGK-NXHRZFHOSA-N 286.419 3.540 30 20 CHED CC#CCOC(=O)c1cc(C(F)(F)F)ccc1Cl 1122655607 QPLLWFZNBVNPLV-UHFFFAOYSA-N 276.641 3.539 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F 1126764369 SBOFMKSDRBAJJG-CQSZACIVSA-N 289.350 3.957 30 20 CHED Cc1cc(CON=C2CCOc3ccccc32)ccc1C#N 783027962 LKUGDPNUNLRUTG-UHFFFAOYSA-N 292.338 3.570 30 20 CHED Fc1cc(NN=C2CCc3ccc(Cl)cc32)ccn1 781133729 SWASYLKXIJSZBL-UHFFFAOYSA-N 275.714 3.637 30 20 CHED O=C1/C(=C/c2sccc2Cl)Oc2cc(O)ccc21 782322733 IQEPZOCVVJCMPA-WDZFZDKYSA-N 278.716 3.723 30 20 CHED CC1(C)CC(=NNCCc2ccccn2)CC(C)(C)C1 789112657 IRNRHDKXWSJMJL-UHFFFAOYSA-N 273.424 3.806 30 20 CHED COc1cc(C(C)=NNc2c(F)cccc2Cl)ccn1 782272809 VRNOTDYEZOKVRJ-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C=CCN(C(=O)Nc1ccc2sc(C)nc2c1)C1CC1 781490784 FDFCWDFEDNDNDD-UHFFFAOYSA-N 287.388 3.787 30 20 CHED CCC(=NNCCc1ccccn1)c1ccc(Cl)s1 789124940 OEJJGNGKYMUOOY-UHFFFAOYSA-N 293.823 3.743 30 20 CHED C=C1CC(c2noc(Cc3ccccc3OC(F)F)n2)C1 896883276 GAYYSLZZMZMULY-UHFFFAOYSA-N 292.285 3.695 30 20 CHED CCC(=NNCCc1ccncc1)c1ccc(CC)cc1 789096345 AWOJSKHNMHKHSV-UHFFFAOYSA-N 281.403 3.590 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NN[C@H]1CCCC1(C)C 782287149 KHPOTESKSIKRKB-KRWDZBQOSA-N 296.418 3.683 30 20 CHED CCc1ccc(NC(=O)/C=C\C(=O)c2ccc(C)cc2)cc1 899928227 FSZZHBRJKVQKAU-SEYXRHQNSA-N 293.366 3.935 30 20 CHED Cc1cccc(NN=C2CCC(=O)Nc3ccccc32)c1 783773991 VNQUPXAZGNWQFB-UHFFFAOYSA-N 279.343 3.544 30 20 CHED C=C[C@@](C)(CC)c1nc([C@@H](C)OCC(F)(F)F)no1 896611061 MBHNELMLQCMCSR-KCJUWKMLSA-N 278.274 3.563 30 20 CHED C=C1CC(c2noc(C(C)(C)COCc3ccccc3)n2)C1 896877627 OHUNOSLOVNUNLN-UHFFFAOYSA-N 298.386 3.998 30 20 CHED Cc1c(C(=O)N[C@@]2(C)CC2(C)C)sc2ccc(C#N)cc12 1131305280 IHAQEOJVBBTIJV-KRWDZBQOSA-N 298.411 4.000 30 20 CHED C=C(Cl)CN(C)Cc1ccccc1C(F)(F)F 898482504 JWJBPNCFEHKEKT-UHFFFAOYSA-N 263.690 3.890 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)n(-c2ccccn2)c1C 799035103 SIFJSORUSOIFPX-OAHLLOKOSA-N 297.402 3.574 30 20 CHED CCCCCCCN(C)[C@H](CC(N)=O)c1ccccc1 796533321 RSVYFTTZIMURCO-MRXNPFEDSA-N 276.424 3.505 30 20 CHED CCCCCCCCOCC(=O)Nc1cncc(F)c1 798532902 GQZPSXDAQGDBOL-UHFFFAOYSA-N 282.359 3.536 30 20 CHED Cc1ccccc1NC(=O)Nc1scc(C)c1C#N 1202175421 DHLMNVMJBNIVLR-UHFFFAOYSA-N 271.345 3.881 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1 796375218 OQUJUTKRMSBXSD-ZWNOBZJWSA-N 279.286 3.598 30 20 CHED Cc1ccc(C(=O)OCc2sccc2C)cc1C#N 799362090 CXZHHCSRPPOTLC-UHFFFAOYSA-N 271.341 3.594 30 20 CHED CCc1cccnc1C(C)=NOCc1ccccc1OC 799118326 ZPMRWLVGKKETTM-UHFFFAOYSA-N 284.359 3.593 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1c1cccc(C)c1 791065372 RCMVPCONQCIUSE-DLBZAZTESA-N 284.403 3.643 30 20 CHED C=CCNN=C(C)[C@@H](C)Oc1ccc(Cl)cc1Cl 794994663 WBVOJXLWKULPLD-SNVBAGLBSA-N 287.190 3.912 30 20 CHED C=CCCN(C)Cc1csc(-c2ccccc2)n1 677564953 OHYNAJAAHMTJJF-UHFFFAOYSA-N 258.390 3.818 30 20 CHED C[C@]1(C#N)CCCN(c2ncc(Cl)cc2Cl)C1 588016015 RJUJVBVERZVGDP-GFCCVEGCSA-N 270.163 3.518 30 20 CHED c1ccc(CCCNN=C2CCC3(CC2)CC3)cc1 792633920 VUFBFXSHNLNUDD-UHFFFAOYSA-N 256.393 3.919 30 20 CHED C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)C1CCCCC1 94591895 DYJJUTOIORFZPJ-LLVKDONJSA-N 273.336 3.847 30 20 CHED Cc1cc(Nc2ccc(OCC3CC3)cc2)c(C#N)cn1 1162494323 LRQAWHDVLQETKD-UHFFFAOYSA-N 279.343 3.794 30 20 CHED C[C@@H](Sc1cc(C#N)cnn1)c1ccc(Cl)cc1 1306947684 SRODPNBWKLEKSP-SECBINFHSA-N 275.764 3.855 30 20 CHED C[C@@H]1CCC[C@@H]1CNc1nc(C#N)c(Cl)s1 1163145495 PLKNQADVPALPRY-HTQZYQBOSA-N 255.774 3.516 30 20 CHED COc1cc(CN2CC[C@H](C3CCCCC3)C2)ccc1C#N 1238409944 SIMPJYGRMFUQTQ-SFHVURJKSA-N 298.430 3.969 30 20 CHED CC(C)(C)ON=Cc1ccc(OCC(F)(F)F)cc1 1319803193 QKEZZSWIFHUOLT-UHFFFAOYSA-N 275.270 3.777 30 20 CHED CC(C)(C)ON=Cc1ccc(Br)cc1 1319579600 VGYGRZPLZSPHQU-UHFFFAOYSA-N 256.143 3.598 30 20 CHED CCCn1ncnc1CSCCC1(C#N)CCCCC1 1327519983 JRARNCAWOYETNU-UHFFFAOYSA-N 292.452 3.785 30 20 CHED Oc1ccc(Br)cc1/C=N\[C@H]1C=CCCC1 1322495224 KVQOORFSMOZQKI-ZENNRRHLSA-N 280.165 3.682 30 20 CHED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)C 1325157793 OBFXXMYIQNGTTA-UHFFFAOYSA-N 272.392 3.748 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)n(CC2CC2)c1C 1320934492 CMCTWROAGGELOV-MRXNPFEDSA-N 286.419 3.696 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1csc(C#N)c1 1324503484 VFSOHPRQEPMENK-DGCLKSJQSA-N 290.432 3.907 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1occc1Br 1336237380 AYPCYWVLAQILER-SNVBAGLBSA-N 298.180 3.613 30 20 CHED Cc1ccc(C#N)c(Oc2ccc(Cl)c(F)c2)n1 156271587 RCGIMBZYCQIJGZ-UHFFFAOYSA-N 262.671 3.847 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1339034539 NUJZGIDUHIUXIQ-OKZBNKHCSA-N 294.398 3.619 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1oc2ccc(OC)cc2c1C 1255019791 UHUQBBKZGPNMAT-STQMWFEESA-N 289.375 3.601 30 20 CHED CCc1ccc(-c2n[nH]c(SCC3(CC#N)CC3)n2)cc1 1261592802 PWDIYGOEYCYKRL-UHFFFAOYSA-N 298.415 3.820 30 20 CHED COc1cc(/C=C/C(=O)c2coc(C(C)C)n2)ccc1F 1261504752 PVTGZHFGIZVGGJ-FNORWQNLSA-N 289.306 3.842 30 20 CHED C=C(CC)C(=O)NC[C@H](C)CSc1ccccc1OC 1346449097 HULWBADKVRIAFL-LBPRGKRZSA-N 293.432 3.506 30 20 CHED CCc1cnccc1C(=O)/C=C/c1c[nH]nc1C(C)(C)C 1341801506 FARLJCOTOBYQGV-VOTSOKGWSA-N 283.375 3.561 30 20 CHED CC(C)Nc1nnc(SCc2ccc(C#N)s2)s1 1261552322 OOCAMWHHOFTGDY-UHFFFAOYSA-N 296.446 3.584 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)CC/C=C\c1ccccc1 1344325852 PTEMBDIFJIMCJA-DIEDAUMRSA-N 293.370 3.573 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1cn2c(n1)CCCC2 1345048569 FRKAJKXQZRKQPW-DZGCQCFKSA-N 288.391 3.511 30 20 CHED C=CCC1(C(=O)OCC(=O)c2cccs2)CCCC1 1344541128 TWTQFJFNOFHGCB-UHFFFAOYSA-N 278.373 3.611 30 20 CHED CCC[C@H]1CCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1262647244 YOBXHKNVGFBHIG-SJORKVTESA-N 284.403 3.550 30 20 CHED Cc1cccc([C@H](C)C(=O)O[C@@H](CC#N)c2ccco2)c1 1345547378 KYPIJFYPTZKQBU-BBRMVZONSA-N 283.327 3.890 30 20 CHED C=CCCC[C@H](N)C(=O)Nc1cccc(CSCC)c1 1340092975 HLTCUZNXQCZMBJ-HNNXBMFYSA-N 292.448 3.562 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C1(Cc2ccccc2)CC1 1355121799 PPCRSWZCRPHMJQ-QGZVFWFLSA-N 283.415 3.967 30 20 CHED CCc1c[nH]c2ncnc(Oc3ccc(C#N)cc3Cl)c12 1458071168 DYTQRZCMLYCGIZ-UHFFFAOYSA-N 298.733 3.838 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2cc(C(=O)O)cs2)c1 1600388180 FCBIBLOVSKXZJD-WAYWQWQTSA-N 286.352 3.959 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@H](C)Cc2ccccc21 1528642706 JDSKPQIMVSTFFG-CYBMUJFWSA-N 290.366 3.706 30 20 CHED C#CCCCN[C@@H](C)c1sccc1Br 224306423 HHARSESHXNDARJ-VIFPVBQESA-N 272.211 3.575 30 20 CHED CCN(CC)[C@@H](CNc1cccc(F)c1C#N)CC(C)C 1611770001 FTRGJSFSJDKUDQ-CQSZACIVSA-N 291.414 3.866 30 20 CHED CCc1ccc2c(c1)CCN(c1ccc(Cl)c(C#N)n1)C2 1472903754 MSASOPGCPQBPMU-UHFFFAOYSA-N 297.789 3.732 30 20 CHED CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2C)C12CCCC2 1473457200 QTRLJNUTPCMFRL-ROUUACIJSA-N 298.430 3.694 30 20 CHED Cc1cc(OCc2ccccc2)ccc1N[C@@H](C)C#N 117380120 UJIYYUXQKMISLK-AWEZNQCLSA-N 266.344 3.898 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(C#N)c1 1622820364 NNGKQFYELPBCCS-GJZGRUSLSA-N 285.391 3.895 30 20 CHED C[C@H](Nc1nc(C#N)c(Cl)s1)c1ccc(C#N)cc1 1639349676 QKKZIMBLZRIUIE-QMMMGPOBSA-N 288.763 3.713 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNCc1cccc(F)c1C#N 1560786736 AMLYATWNILMOGZ-RDBSUJKOSA-N 274.383 3.859 30 20 CHED Cc1cc(N(CC2CCCCC2)C2CC2)ncc1C#N 1642109755 OQHZZWIFFDVUQX-UHFFFAOYSA-N 269.392 3.811 30 20 CHED CC(C)C[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 1642269353 WSAQJZWLYFUACT-AWEZNQCLSA-N 274.383 3.955 30 20 CHED CC(C)Cc1ccc(C(=O)NCC(C)(C)CC#N)s1 1584601241 RCWUPRCFQXTFDJ-UHFFFAOYSA-N 278.421 3.616 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(F)cc1C#N 1669604917 PKOWVUVASRSSMT-ZBEGNZNMSA-N 289.354 3.788 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(Br)c1C 232213784 KTKXFSXSRDHWLG-ZDUSSCGKSA-N 295.180 3.636 30 20 CHED C=CCCCCCN(CC(C)C)CC(C)(C)C(=O)O 1776173024 HYIYJJCBPQDBRP-UHFFFAOYSA-N 269.429 3.802 30 20 CHED Cc1ccc(C=NNc2ccccc2Cl)c(C(=O)O)c1 1776014980 VWKVMFMWNLDLEZ-UHFFFAOYSA-N 288.734 3.793 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)O)c2)c(C)c1 1776132695 BVIULQSUKSBQBZ-QPJJXVBHSA-N 296.322 3.603 30 20 CHED C=CCN(CCC(=O)O)Cc1ccc(C2CCCC2)cc1 1776178025 MGZQKQGFKGTINI-UHFFFAOYSA-N 287.403 3.807 30 20 CHED N#Cc1ccc(C(=O)CSc2cc(F)ccc2F)cc1 19362519 GKRSJVWCCKFKDB-UHFFFAOYSA-N 289.306 3.811 30 20 CHED C=CCN(C)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 161771192 LQPQTTZDSWUCEH-NSHDSACASA-N 285.309 3.843 30 20 CHED CCC(C)(CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 158769814 ILYNWWHCNLNHKS-GFCCVEGCSA-N 258.365 3.562 30 20 CHED N#C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C1CCCCC1 160288445 QIYJRETWKRIPSO-GFCCVEGCSA-N 277.349 3.554 30 20 CHED C[C@H]1C[C@H](C)CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 160668753 LQGCWGMCJLDQPC-ZOBUZTSGSA-N 299.418 3.719 30 20 CHED CCCOc1ccc(NC(=O)N[C@H](C)CC#N)cc1Cl 157303795 MRILSLHQFLMJLU-SNVBAGLBSA-N 295.770 3.552 30 20 CHED CC#CCCSCc1ccc(S(=O)(=O)C(C)C)cc1 154997451 ZCDMNGGPAXKLQU-UHFFFAOYSA-N 296.457 3.515 30 20 CHED N#Cc1ccncc1NCc1cccc(C(F)(F)F)c1 135285622 YVQJZPUDXWLURQ-UHFFFAOYSA-N 277.249 3.584 30 20 CHED Cc1ccc([C@H](O)COc2ccc(C#N)cc2Cl)cc1 153687667 ROOVRGXACIWDGG-OAHLLOKOSA-N 287.746 3.633 30 20 CHED COc1ccccc1SCCOc1ccccc1C#N 41030581 KFNVGNAZZFKLLO-UHFFFAOYSA-N 285.368 3.738 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCCC2(F)F)s1 295058331 GINBXRWPKMQAMK-SNVBAGLBSA-N 270.348 3.535 30 20 CHED C[C@H](CCNc1cc(C#N)ccn1)c1ccccc1 61910891 DKOIZJKVLXEZQW-CYBMUJFWSA-N 251.333 3.559 30 20 CHED Cc1ccc([C@@H](O)CNc2ccc(Cl)cc2C#N)cc1 301164618 CJXMBKDRUXIYQN-INIZCTEOSA-N 286.762 3.666 30 20 CHED C=CCCC[C@H](C)Nc1snc(Cl)c1C#N 302000201 IQYIQVBOTRMUAY-QMMMGPOBSA-N 255.774 3.825 30 20 CHED N#CC1(C(=O)NCCCC2CCCCC2)CCCCC1 302960115 DSVUSPZONDNGCV-UHFFFAOYSA-N 276.424 3.937 30 20 CHED CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@H]2CCC[C@H]21 404103193 XFMQIVASQWCSPU-ZBFHGGJFSA-N 272.367 3.708 30 20 CHED N#Cc1cc(Cl)ccc1NCc1ccc2c(c1)CCO2 520488565 ARCMYPOGVDHGDJ-UHFFFAOYSA-N 284.746 3.759 30 20 CHED CC[C@@](C)(CNc1ccc(C#N)c(Br)c1)OC 322755264 FAVBFXYFBDNDST-ZDUSSCGKSA-N 297.196 3.548 30 20 CHED N#CCC1CCN(Cc2ccc(Cl)c(F)c2)CC1 334347459 XLGVMORHFRYKEU-UHFFFAOYSA-N 266.747 3.605 30 20 CHED CCC(C#N)(CC)C(=O)N(C)[C@H](C)c1ccccc1 383595833 XIDUBDCRRILGOV-CYBMUJFWSA-N 258.365 3.536 30 20 CHED Cc1nc(N(C)CCc2cccs2)c(Cl)cc1C#N 388785369 RBLLWZPSKAOJLZ-UHFFFAOYSA-N 291.807 3.656 30 20 CHED Cc1cc(C)c(CNc2nc(C)c(C#N)cc2Cl)cn1 397020263 RBEZRFPBCSGBGC-UHFFFAOYSA-N 286.766 3.539 30 20 CHED CC(C)(C)c1csc(CN2CCC[C@H](CC#N)C2)n1 397849432 RGRQBJISGXVYTF-GFCCVEGCSA-N 277.437 3.566 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(C)s1 104542643 AKMACAPXBOOVHB-UHFFFAOYSA-N 278.421 3.849 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 413388348 QJARJXBVWFRZPJ-TXEJJXNPSA-N 284.281 3.556 30 20 CHED C#CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 8570377 QYEZXOLJJRJRRU-UHFFFAOYSA-N 299.757 3.913 30 20 CHED Cc1ccc(OC(=O)CCc2ccc(C#N)cc2)c(C)c1 24696356 AGJFHGOXMDYYPE-UHFFFAOYSA-N 279.339 3.713 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 227360483 ZFKLORJOGCMQQY-VXGBXAGGSA-N 264.369 3.783 30 20 CHED C#Cc1cccc(NC(=O)N2Cc3ccccc3C[C@@H]2C)c1 174786805 ICMOKZAHDBYINY-AWEZNQCLSA-N 290.366 3.647 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)Cc1ccccc1Cl 343020630 TYYWSVIKERDZFW-UHFFFAOYSA-N 292.810 3.671 30 20 CHED CCc1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1 26564040 FTUNKUPSOSHRAP-FMIVXFBMSA-N 276.339 3.773 30 20 CHED C#CCCOc1ccc(OCc2ccccc2)cc1 104366575 LKSDSEYPHWWPOV-UHFFFAOYSA-N 252.313 3.668 30 20 CHED C=C(C)CNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 66938788 SQEIHKXEJFIJJE-UHFFFAOYSA-N 299.399 3.683 30 20 CHED CC(C)(CCC(=O)NCCCCC#N)c1ccccc1 179238961 GCXSUXXNESLVBZ-UHFFFAOYSA-N 272.392 3.554 30 20 CHED C[C@@H](CC(=O)[C@H](C#N)c1ccccn1)c1cccc(F)c1 116592236 SNZWACVRUAAXES-SWLSCSKDSA-N 282.318 3.591 30 20 CHED C=CC[C@H](C)NCc1cccc(Br)c1 116926614 SXLNWNLVBFNLSG-JTQLQIEISA-N 254.171 3.503 30 20 CHED C=CCCCC(=O)NC[C@@H](OC)c1cccc(Cl)c1 176070679 RRZXPUZBSXVNHU-CQSZACIVSA-N 281.783 3.500 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1ccc(-c2ccccc2)o1 116854235 JEKSKHBLEIXJNR-CQSZACIVSA-N 283.371 3.960 30 20 CHED CC1CCC(N(C)c2ccc(Cl)c(C#N)n2)CC1 111218697 JBNAHXXWUPAAOT-UHFFFAOYSA-N 263.772 3.622 30 20 CHED C=CCN(CCOc1ccccc1)Cc1cccs1 60942740 ZLAXKBCLBXHFSU-UHFFFAOYSA-N 273.401 3.815 30 20 CHED C#CCCCNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 174122809 DFRWCXYSLDDBFT-ZDUSSCGKSA-N 284.359 3.549 30 20 CHED N#C[C@H](NC(=O)C1CCCC1)c1ccc(Cl)c(Cl)c1 68456202 GMJBIZSBOXCCEZ-ZDUSSCGKSA-N 297.185 3.864 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccc(O)c1)CO2 63411998 NQMYEDIHFOLRGK-ZSOIEALJSA-N 280.323 3.668 30 20 CHED C=CCCCSc1nnc(-c2ccccc2F)n1C 117547594 QAXOMUHSZTVGIR-UHFFFAOYSA-N 277.368 3.680 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(C#N)cs2)C1 177044459 DZFILANMNDDISU-STQMWFEESA-N 276.405 3.564 30 20 CHED C=CC1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 110367393 CNJIHMXOTTXUKP-UHFFFAOYSA-N 280.371 3.516 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc23)[C@H]1C 301502375 XSZSGQDQQLGRLR-QWRGUYRKSA-N 285.778 3.995 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2ccc(C#N)cc2)C1 1536347660 VFTRFIRNIACYNB-AWEZNQCLSA-N 270.376 3.504 30 20 CHED C=CCCC(=O)Nc1ccc(Sc2nncs2)cc1 171437609 GDKWISQHHVJCMT-UHFFFAOYSA-N 291.401 3.594 30 20 CHED C=C(C)COc1cccc(NC(=O)N(CC)C(C)C)c1 171401387 HCQUEQRFHRFUFM-UHFFFAOYSA-N 276.380 3.904 30 20 CHED CC(C)(CNc1c(C#N)cccc1C#N)c1ccc(F)cc1 302900856 SWCIMCARKOYWSM-UHFFFAOYSA-N 293.345 3.959 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](c1ccccc1)C(C)C 121275313 YXMIAGWPPRWDCA-MRXNPFEDSA-N 274.408 3.991 30 20 CHED CSCc1cccc(CNc2nc(C)ccc2C#N)c1 302509078 RUIQKJVUTUWSEO-UHFFFAOYSA-N 283.400 3.737 30 20 CHED CO[C@H](CNc1c(C#N)cnc2ccccc12)C(C)(C)C 301410468 ACSJFXOIDRFJMR-OAHLLOKOSA-N 283.375 3.579 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3C[C@H]4CCC[C@@H]4C3)c2c1 301598646 HIUDGOBJLMVRLZ-HUUCEWRRSA-N 291.398 3.960 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1cc(C)ccc1OC 121403652 NBEJDXBSXYFVAX-AWEZNQCLSA-N 287.403 3.949 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1CCN(c2ccccc2)C1 301208034 RROGKHSOOCCJEZ-AWEZNQCLSA-N 295.361 3.636 30 20 CHED N#CCCN(CC(F)(F)F)C(=O)CC1CCCCCC1 427637134 NSYQVVREKUDCMU-UHFFFAOYSA-N 290.329 3.651 30 20 CHED CC(C)(C)OCCCCNc1cc(F)cc(C#N)c1 601923372 KKEQXRVSDIRQLM-UHFFFAOYSA-N 264.344 3.705 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1cccnc1 210330203 RLCZJRJBNCXQNC-YVMONPNESA-N 275.254 3.579 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C(F)(F)F)c(F)c1 602362243 HOOPPGRMOMPVNU-GFCCVEGCSA-N 288.244 3.723 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(O)cc1OCCC 507309988 GARYIMIZAKRAMC-UHFFFAOYSA-N 277.364 3.722 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccc1F 76826495 IHVZVXNHIFOVEI-HUUCEWRRSA-N 298.292 3.579 30 20 CHED CCN(Cc1occc1C)C(=O)[C@H](C)c1cccc(C#N)c1 412796426 DJHSBWOSAAZWAU-CQSZACIVSA-N 296.370 3.612 30 20 CHED Cc1nc(NC[C@@H]2CCC(F)(F)C2)c(Cl)cc1C#N 360066687 ROWXVNFEXGJZJS-SECBINFHSA-N 285.725 3.762 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)cc2)c(OC)c1 33391499 RQNVFNZPTFAPJZ-FLIBITNWSA-N 282.339 3.908 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](CC)[C@@H]1CCOC1 414297291 HECFKBCPYAMTBM-KURKYZTESA-N 273.420 3.579 30 20 CHED C[C@@H](C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 410924921 FOKDQTHZDOKGJH-SECBINFHSA-N 276.405 3.902 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)Cc1ccc(Cl)c(Cl)c1 120674914 DXCZRNPQKMDVST-CQSZACIVSA-N 299.201 3.590 30 20 CHED C[C@H](C#N)Oc1ccccc1NC[C@@H]1CC=CCC1 181127720 RYDWFKACGAKWGE-ZIAGYGMSSA-N 256.349 3.746 30 20 CHED CCN1CC[C@@H](N(C)CCCCC(C)(C)C#N)C[C@@H]1C 336827828 KCGGQIPQQILJJY-JKSUJKDBSA-N 279.472 3.511 30 20 CHED C[C@@H]1C[C@@H](CNc2cc(C#N)ccc2C(F)(F)F)CCO1 505708210 XLBOVQJVGLRQGC-PWSUYJOCSA-N 298.308 3.804 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1ccc(F)cc1C#N 489570736 XMCXFBQBZJOUQY-INIZCTEOSA-N 260.356 3.708 30 20 CHED CC[C@H](NCc1ccc(F)cc1C#N)c1c(C)noc1C 182458139 QAGLPIOMSLUFJU-HNNXBMFYSA-N 287.338 3.543 30 20 CHED N#Cc1ccccc1Oc1cnc2cc(F)c(F)cc2n1 74278931 MKRBKSCAMJJBDJ-UHFFFAOYSA-N 283.237 3.572 30 20 CHED C=C(C)CCc1noc(Cc2cc(Cl)ccc2OC)n1 508643348 HNNSONIDKIITMP-UHFFFAOYSA-N 292.766 3.831 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1cccs1 37748342 JHRRKDLAVPFXGB-AWEZNQCLSA-N 256.374 3.861 30 20 CHED N#CC1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC1 419023791 PMDHLEWZTWDQSQ-UHFFFAOYSA-N 299.252 3.719 30 20 CHED COc1cc(C(=O)/C=C/c2cc(F)ccc2C)ccc1O 182275937 CHFJPGZPGNZGMM-QPJJXVBHSA-N 286.302 3.744 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCc2c(Cl)cccc21 180767001 JGFMIHYVXLKUPO-CQSZACIVSA-N 278.783 3.545 30 20 CHED C[C@H]1CCC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CC1 188810942 LUFOWZZKCCZBHX-JQWIXIFHSA-N 292.329 3.535 30 20 CHED CC(C)C1(C)CCN(C(=O)Nc2cccc(C#N)c2)CC1 186937629 UTHLLYJZNPFHPE-UHFFFAOYSA-N 285.391 3.848 30 20 CHED Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccon2)n1 74015001 KFBXNMSFFJUWFT-UHFFFAOYSA-N 299.277 3.561 30 20 CHED CCN(Cc1ccc(F)c(Br)c1)C[C@@H](C)C#N 42324073 LMLRXNRIMSDQAY-JTQLQIEISA-N 299.187 3.570 30 20 CHED C=CCC[C@@H](NCc1cn(C)nc1-c1ccccc1)C1CC1 180418448 POZXGXUBVRVNTC-GOSISDBHSA-N 295.430 3.922 30 20 CHED C=CCC[C@@H](NC(=O)C1CC=CC1)c1ccccc1 134014634 ZDLVEZSEPBXCFZ-MRXNPFEDSA-N 255.361 3.776 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2[nH]c(CC)cc(=O)c2c1 135168825 YSLJCPVSEURCTQ-GOSISDBHSA-N 298.386 3.631 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 137132286 BPFVJLLXCLVMTA-KRWDZBQOSA-N 299.418 3.668 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@@H]1Cc1ccccc1 506824983 OJEHEXHNDPAMDZ-OAHLLOKOSA-N 280.346 3.909 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/[C@H]1CCC(C)(C)C1 329522140 PHNKLWXGFQEZBX-NSHDSACASA-N 262.353 3.744 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(Br)cc1O 134931984 BMKBDYYFPHDVFO-UWVGGRQHSA-N 284.197 3.770 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OCC)c(F)c1 424588444 BMRBIODGSTTXBR-UHFFFAOYSA-N 265.328 3.765 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 191809491 CLCWQGJRSRUBPV-OAHLLOKOSA-N 276.336 3.752 30 20 CHED CC(C)c1nnc2ccc(N=C(O)[C@H]3CC[C@@H](C)C3)cn12 329991921 KCECHNNBMTVEKU-NEPJUHHUSA-N 286.379 3.877 30 20 CHED C=C[C@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] 426569697 CUSWXRFVRFKRDB-VIHMKRCTSA-N 272.348 3.649 30 20 CHED N#Cc1cccc(NC(=O)/C=C/SCc2ccco2)c1 84920754 ZUCIFOGPYIXDIH-SOFGYWHQSA-N 284.340 3.537 30 20 CHED N#CCSc1nnc(-c2ccc3ccccc3c2)o1 42180894 MIYKXLQCKGQJDR-UHFFFAOYSA-N 267.313 3.505 30 20 CHED C=CCCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 84209446 OJSNSIMAAYOLPL-UHFFFAOYSA-N 284.186 3.844 30 20 CHED C[C@H](N[C@@H](C)C1CCSCC1)c1cccc(C#N)c1 614633752 AMMBBXFIVQWECS-STQMWFEESA-N 274.433 3.741 30 20 CHED CCCCc1cc(NC(=O)Nc2cccc(C#N)c2C)[nH]n1 192284182 QMFMTZGYYXQQQW-UHFFFAOYSA-N 297.362 3.576 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H](OCC)c1ccccc1 194199659 LFBBLIUENHMJEK-QGZVFWFLSA-N 287.403 3.649 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425496264 AINLPZSKPPAODZ-AWEZNQCLSA-N 285.391 3.617 30 20 CHED C=C(Cl)CN[C@@H](c1ccccc1)c1ccccn1 130929703 ONVAXJXHLFWQNF-HNNXBMFYSA-N 258.752 3.513 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[C@H]1C 424600290 NZBDXXBYXFIBEJ-OCCSQVGLSA-N 286.375 3.722 30 20 CHED C#CCCCC(=O)N[C@@H](CCC=C)c1ccccc1 190450178 RDJBEZSLVPQLFZ-INIZCTEOSA-N 255.361 3.614 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)Nc1cccc(C#N)c1 512233617 KNDZXOWSMODDET-ZFWWWQNUSA-N 285.391 3.896 30 20 CHED N#Cc1ccc(CCC(=O)Nc2cccc3[nH]ccc23)cc1 338871809 KQANJNIFLVKEAZ-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C=C(C)C(C)(C)C(=O)NCCSCc1ccccc1F 424544489 PFIRVRXMSYXTOS-UHFFFAOYSA-N 295.423 3.777 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1nc2ccccc2s1 424568623 UKUGNFAZJUPOFM-UHFFFAOYSA-N 288.416 3.557 30 20 CHED N#CC[C@@H](CC(=O)NC1CCCCC1)c1ccccc1 331026059 PADVVLNPBARSHS-HNNXBMFYSA-N 270.376 3.523 30 20 CHED COc1ccc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)cc1Cl 331297549 SSKPZGWJRBYMCB-NXEZZACHSA-N 282.771 3.863 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(C(C)C)s1 330874316 STKFNFZUDSJSJO-HNNXBMFYSA-N 278.421 3.930 30 20 CHED Cc1cc(C)n(-c2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2)n1 334801450 BWBQVWMKXQMMCM-GDBMZVCRSA-N 280.375 3.593 30 20 CHED C=C(CNC(=O)N1CCc2ccsc2C1)c1ccccc1 512660216 LYLYDRKPIBHPDW-UHFFFAOYSA-N 298.411 3.529 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1)C(C)(C)C 517937718 OGLSZSLXQGKPHY-ZDUSSCGKSA-N 259.353 3.504 30 20 CHED C[C@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)S1 235586887 XSGBIDAMHHNADG-STQMWFEESA-N 254.443 3.532 30 20 CHED Cc1csc(NC(=O)c2scnc2C(C)C)c1C#N 334720408 CGWJELZNDDDEFI-UHFFFAOYSA-N 291.401 3.760 30 20 CHED CC[C@@H](CC(=O)NCc1ccc(C#N)s1)c1ccccc1 421599800 HHICVITYIAVLGM-ZDUSSCGKSA-N 298.411 3.820 30 20 CHED CSCC(C)(C)C(=O)Nc1ccc(C#N)cc1Cl 337110271 VJSBXTFLYUOSLV-UHFFFAOYSA-N 282.796 3.539 30 20 CHED CC(C)(C#N)CCOc1ccc(NC(=O)c2ccco2)cc1 337130494 JXBSMDHFDWCNJG-UHFFFAOYSA-N 298.342 3.851 30 20 CHED Cc1cccc([C@H]2CCCCN2c2cncc(C#N)n2)c1C 420606246 XLTWDKLJUKBFPL-QGZVFWFLSA-N 292.386 3.697 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H]1CCO[C@H](CC)C1 514185809 KZHXSUKSZNDZBY-JKSUJKDBSA-N 281.440 3.787 30 20 CHED CCN(C(=O)C[C@H](C)SC)c1ccc(C#N)c(Cl)c1 91207191 SWJCHLUZDJDOJM-JTQLQIEISA-N 296.823 3.706 30 20 CHED CCC(CC)/N=C(/O)Nc1cc2[nH]ccc2cc1C 331280314 BPFSIIRLHHFWSP-UHFFFAOYSA-N 259.353 3.991 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cccc(C)c1C 436291841 QYKKPMFZPWNUDZ-RYRKJORJSA-N 273.420 3.935 30 20 CHED Cc1cocc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 529008520 KFNXCEQVZJOLEY-SNVBAGLBSA-N 288.372 3.832 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@H]2c2ccc(Cl)cc2)c1 343044272 HGQHTBYRJTZNAQ-KBPBESRZSA-N 269.735 3.575 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(C(C)(C)C)ccc1O 528879766 XNBMQANYDPOTMD-UHFFFAOYSA-N 288.391 3.958 30 20 CHED C=CCOc1cccc(CN(C)Cc2ccc(O)cc2)c1 349370455 RGFUUSTWJRLOTO-UHFFFAOYSA-N 283.371 3.589 30 20 CHED CC(C)C(C)(C)C(=O)N[C@@H](C#N)c1ccccc1Cl 438937645 RBDXLYSTUFZNNG-ZDUSSCGKSA-N 278.783 3.703 30 20 CHED C=C[C@H](C)NC(=O)Nc1cnn(-c2ccccc2)c1CCC 341014516 ZOWLYQPGQYKKGC-ZDUSSCGKSA-N 298.390 3.521 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(C)cc1 523511354 BYRCGHQNDGDURB-UHFFFAOYSA-N 259.393 3.742 30 20 CHED C[C@H](SC[C@H]1CCO[C@@H]1C)c1ccc(C#N)cc1 601050835 SHAHLNCGCXWKPB-TYNCELHUSA-N 261.390 3.777 30 20 CHED N#C[C@H](SCCCCS[C@@H](C#N)C1CC1)C1CC1 601080871 HVRSYTZZCGITJY-KBPBESRZSA-N 280.462 3.837 30 20 CHED COc1cccc(C[C@H]2CCCCCN2CC2(C#N)CC2)c1 528749471 NVWMPGJKYCLCQQ-QGZVFWFLSA-N 298.430 3.786 30 20 CHED COc1cc(C)ccc1N[C@H](C)CC1(C#N)CCOCC1 602491740 MDQKIMKKNDLFRJ-CQSZACIVSA-N 288.391 3.515 30 20 CHED Cc1cccc(C)c1/C=C\C(=O)c1cnn(C(C)C)c1 255722223 YVNKRNPCLSSFCS-HJWRWDBZSA-N 268.360 3.977 30 20 CHED C[C@@H](CCC#N)CNCc1cc(C2CC2)ccc1F 602675703 WGRKVKHVXRMUDT-LBPRGKRZSA-N 260.356 3.733 30 20 CHED Cc1c(Cl)cnc(N2CC(c3ccccc3)C2)c1C#N 601209613 GKLWCFUHSWHZLA-UHFFFAOYSA-N 283.762 3.519 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@H]1C)c1cc2ccccc2s1 448929476 SCAAAWWOFMCXDP-OHUAYANFSA-N 284.384 3.628 30 20 CHED CCOc1cc(/C=C/c2ccncc2C#N)ccc1OC 347428190 JOIUSLVYMVSNOE-GQCTYLIASA-N 280.327 3.531 30 20 CHED C=CCN(Cc1nc2cc(C)ccc2s1)C1CC1 528430624 KJZYKTDKLKXOBS-UHFFFAOYSA-N 258.390 3.755 30 20 CHED CCc1csc([C@H](C)Nc2ncc3c(c2C#N)CCC3)n1 601182300 TWDLDDXJZJHNCM-JTQLQIEISA-N 298.415 3.634 30 20 CHED O=C(/C=C\c1csnn1)c1ccc(SC(F)F)cc1 255053517 HPMWWCMTPYLIOE-UTCJRWHESA-N 298.339 3.749 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)CCC 601877541 NLZGDZXTSNGVIT-CQSZACIVSA-N 266.429 3.953 30 20 CHED Cc1cc(F)ccc1N[C@@H](C)CC1(C#N)CCOCC1 602490774 FOGTYUBFNVCSLM-ZDUSSCGKSA-N 276.355 3.645 30 20 CHED CC(C)COc1ccc(CCNc2cccc(C#N)n2)cc1 609893553 YHUBYLPTUDEILM-UHFFFAOYSA-N 295.386 3.643 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cccn1C(C)C 354106109 HEVIFTXBIFSGSB-UHFFFAOYSA-N 296.374 3.625 30 20 CHED C=CCCC1(C(=O)N[C@H](CC)c2c(C)noc2C)CC1 356546401 WJHHIVAZHQFOIT-CYBMUJFWSA-N 276.380 3.605 30 20 CHED COCc1cccc(/C=C\C(=O)C2CCCCC2)c1 255053160 KMQCBAOFYGHGKX-KHPPLWFESA-N 258.361 3.996 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1cccc(-c2cccs2)c1 354151890 NCHPSFWIGHJNSX-MRXNPFEDSA-N 287.384 3.681 30 20 CHED CCOc1cc(C#N)ccc1OCCCCOC(C)(C)C 352542771 UOTWSABWXNYBTD-UHFFFAOYSA-N 291.391 3.931 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccccc1C(F)(F)F 352055159 MLGSQHQTVYVRCI-SNVBAGLBSA-N 298.308 3.822 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1 184864232 ZEJXWENIWHCCOE-UHFFFAOYSA-N 269.266 3.693 30 20 CHED C[C@@H]1CCN(CC2(CC#N)CC2)[C@@H](c2ccco2)C1 602784103 PRLJXJJNIJNCMG-ZIAGYGMSSA-N 258.365 3.746 30 20 CHED C=CC[C@@H](Cc1ccccc1)n1cc(CSC)nn1 600969735 AIUJUPCDALDMLQ-HNNXBMFYSA-N 273.405 3.501 30 20 CHED C[C@H](NC(=O)CCCC#N)c1ccc(Cl)cc1Cl 359853137 ZIDPRVWTWZADTF-VIFPVBQESA-N 285.174 3.864 30 20 CHED Cc1ccc(CCN2CCCC(C)(C)[C@H]2C#N)cc1 444723433 LAEOSTBPIXBWSH-MRXNPFEDSA-N 256.393 3.552 30 20 CHED C[C@H](CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N)c1ccccc1 447913080 HXLGSNQTMWOYOO-NEWSRXKRSA-N 298.430 3.717 30 20 CHED COc1ccccc1[C@@H](NC[C@H](C)CCC#N)c1ccco1 602591239 XRILYLFVPPAGCV-RDTXWAMCSA-N 298.386 3.907 30 20 CHED C=CC[C@H](C)NC(=O)Cc1cc2ccccc2s1 449923950 PAWAPSZXJIRCRQ-NSHDSACASA-N 259.374 3.525 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 448685247 VMQBFRWSJJBBCC-IAGOWNOFSA-N 271.404 3.995 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 611495747 CATZTLGSUOMGPN-CYBMUJFWSA-N 292.338 3.655 30 20 CHED C=CCOCC(=O)Nc1cccc(CSC(C)C)c1C 358689723 XEIYCBFVFXYHCU-UHFFFAOYSA-N 293.432 3.778 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1F 354098780 ZXAQHCMLVMNBSO-UHFFFAOYSA-N 297.333 3.690 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C(C)C)no1 265696357 BKLABLJCDABSFR-UHFFFAOYSA-N 264.369 3.616 30 20 CHED CC(C)C(C)(C)CNC(=O)Nc1ccc(F)c(C#N)c1 446163745 VAOYASZXLSCZFP-UHFFFAOYSA-N 277.343 3.501 30 20 CHED CC(C)(C)CN(CCC#N)c1ccc(F)cc1[N+](=O)[O-] 534657800 LSSSQDZPEGEAOR-UHFFFAOYSA-N 279.315 3.500 30 20 CHED CN(CCC#N)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 355372944 RTWOAZOOZPGYCH-UHFFFAOYSA-N 288.435 3.745 30 20 CHED N#Cc1cccc(NC2(Cc3cccc(F)c3)CCC2)n1 357616988 KWPNSLPFRQJRIG-UHFFFAOYSA-N 281.334 3.670 30 20 CHED C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)CC12CCC2 357018619 ALNKNPJVSKBMBN-CYBMUJFWSA-N 272.367 3.709 30 20 CHED C=CCC[C@@H](NCC1([C@@H](O)C(C)C)CC1)c1ccco1 353614396 SOVHXAHDEDOUFI-ZBFHGGJFSA-N 277.408 3.674 30 20 CHED COc1ccc(C#N)cc1CN(Cc1ccc(C)o1)C1CC1 610952865 XFALGPNWUDTLBX-UHFFFAOYSA-N 296.370 3.633 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCc2cc(C)ccc21 539703969 ZOVOONJTWBGQHP-GOEBONIOSA-N 272.392 3.636 30 20 CHED C[C@@H]1CC[C@@H](C)N1c1nc(C(C)(C)C)ccc1C#N 613429499 MBQXKYMQYLHGOE-VXGBXAGGSA-N 257.381 3.628 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)Cc1ccccc1OC 452778762 YYBJMGANKOOKAG-AWEZNQCLSA-N 289.419 3.592 30 20 CHED C[C@@H](CCC#N)CN1C[C@H](C)Oc2ccc(Cl)cc21 618888243 UUEYGJBRZHEMER-RYUDHWBXSA-N 278.783 3.867 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1cc(C)sc1C 185094629 IWTWFDXDKLFKTN-NSHDSACASA-N 263.406 3.592 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H](C)C1 538369526 QGSWLKROEUCZCI-ILXRZTDVSA-N 266.429 3.809 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)Nc1cccc(CC#N)c1 455911318 WDTJGLPSGFVLQZ-AWEZNQCLSA-N 285.391 3.700 30 20 CHED N#Cc1cc(Cl)c(C(=O)Nc2nccs2)c(Cl)c1 611092832 PLWRMDCIFJWIIV-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1cccs1 612443917 PURPPQVYVSYFFN-SECBINFHSA-N 290.775 3.764 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](c1ccccc1)C(C)C 459085825 WFLSKTHWYNSVFK-INIZCTEOSA-N 274.408 3.991 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)Nc1cccc(CC#N)c1 455904933 KPUBZOKMBUPSAL-VIKVFOODSA-N 285.391 3.699 30 20 CHED C=C[C@@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 277945741 OPUOAMGETFVZGO-RDJZCZTQSA-N 296.414 3.887 30 20 CHED N#CCCCC(=O)N1CCc2cc(-c3ccccc3)oc2C1 360313236 AHNLRIILRLULPF-UHFFFAOYSA-N 294.354 3.525 30 20 CHED CCC(CC)n1ccc(CN[C@H](C)c2cccc(C#N)c2)n1 611386036 AVNWKVRAIOBUOZ-CQSZACIVSA-N 296.418 3.967 30 20 CHED C[C@@H](COc1cccc(F)c1)N[C@H](C)c1ccc(C#N)cc1 540597963 YIDHBVDWUNOJKT-UONOGXRCSA-N 298.361 3.815 30 20 CHED CC(C)(C#N)CNC(=O)CCCCCc1ccc(F)cc1 614638198 RNGKWPWJPZJMDK-UHFFFAOYSA-N 290.382 3.595 30 20 CHED CC(C)(C)OC1CC(Sc2cccc(C#N)c2)C1 450866251 WSEMMQWKIDBZBT-UHFFFAOYSA-N 261.390 3.996 30 20 CHED C#CC[C@H](N[C@@H](C)c1csc(C)n1)c1ccccc1 271526427 PBCROTZOKYXSFD-WFASDCNBSA-N 270.401 3.867 30 20 CHED C=C(CC)CN[C@](C)(CC)COc1ncccc1Cl 540214715 KAQHFKGJBRLKAN-OAHLLOKOSA-N 282.815 3.838 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccccn1 540572029 OOMLLXDIZKYEIR-GOEBONIOSA-N 287.407 3.673 30 20 CHED CCC(C)(C)C1CCC(CC(=O)NC[C@H](C)C#N)CC1 549097250 ATQKABPBYDFGKR-WLYUNCDWSA-N 278.440 3.895 30 20 CHED C=CC[C@@H]1N(Cc2nc(C3CC3)no2)CCCC1(C)C 277668161 FMHKDAIIHJJMRY-ZDUSSCGKSA-N 275.396 3.514 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)C[C@H]1CC 540489878 HJTRAMSHUQCQCH-HZSPNIEDSA-N 252.402 3.561 30 20 CHED CCC(C)(C)c1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1 451313049 LSBCUIVSXDETPZ-SJKOYZFVSA-N 270.376 3.862 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C 456317778 FNIJBWKZQZZKRV-OFQRWUPVSA-N 251.414 3.728 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)OCc1ccc(F)cc1 450427075 RJLGFTQBRDYSLU-ZIAGYGMSSA-N 293.382 3.592 30 20 CHED CC(C)[C@H](NC(=O)CCCC#N)c1ccc(Cl)cc1F 360782957 PUMAHCAGLYQYQF-HNNXBMFYSA-N 296.773 3.986 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCc3occc32)c1 456004274 OBPZGLSBYUZPLK-OAHLLOKOSA-N 295.342 3.659 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1CCC(C)(C)C#N 271953797 BPOJYCUJVGOADA-GDBMZVCRSA-N 256.393 3.804 30 20 CHED CC#CCCOc1ccc(-c2c(C)noc2C)cc1 277838596 CUXYDUAPKMOVJE-UHFFFAOYSA-N 255.317 3.751 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 450097852 RDVVZSORQKZSQG-NUEKZKHPSA-N 257.377 3.651 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(COC(C)C)cc1 276333141 QZELOFBSKNKQCN-UHFFFAOYSA-N 276.380 3.651 30 20 CHED C=CCOCCCC(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 469753485 RRHKHVPBALXEFE-JKSUJKDBSA-N 281.440 3.690 30 20 CHED Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 461732152 YAYKIHHFBNLRGL-GJZGRUSLSA-N 292.382 3.848 30 20 CHED C=CCOc1cccc(NC(=O)[C@H]2C[C@]2(C)CC)c1 466301178 ZJHLAKPFUUILFT-ZBFHGGJFSA-N 259.349 3.626 30 20 CHED CCc1ccc(NC(=O)N(C)C[C@@H](C)C#N)cc1Cl 287852345 XHEAIOHGYUMGNV-JTQLQIEISA-N 279.771 3.526 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(F)c1)c1cccc(F)c1 464631079 AAPKYEGOGCSURZ-SNVBAGLBSA-N 286.281 3.579 30 20 CHED CCC(=O)c1ccc(NC(=O)C(C#N)(CC)CC)cc1 628692590 UALYSRGWSNLGGA-UHFFFAOYSA-N 272.348 3.548 30 20 CHED Cc1ccncc1CCCNc1ccccc1O[C@H](C)C#N 289961432 BGXBWKITGKGUGS-OAHLLOKOSA-N 295.386 3.726 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C(C)(C)CC=C 460059632 KBHKJWWFSVEGCV-UHFFFAOYSA-N 271.404 3.846 30 20 CHED C=CCOc1ccc(CNC(=O)c2ccccc2CC)cc1 557061020 ABJJEBYTOHPVSU-UHFFFAOYSA-N 295.382 3.744 30 20 CHED CCN(CCC#N)C(=O)c1coc2ccc(C(C)C)cc12 285948379 INTQHZGBXOUQPI-UHFFFAOYSA-N 284.359 3.932 30 20 CHED CCCCS[C@H](C)C(=O)N[C@@](C)(C#N)C1CCCCC1 555905142 VXEQVLNDJPRWAG-CJNGLKHVSA-N 296.480 3.887 30 20 CHED C[C@@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)c(F)c1 553791787 PGWGODOGNDWOIM-DSPQJCBJSA-N 272.367 3.784 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H](C)C1 558992536 YCPAHBMTCSVKSA-HUUCEWRRSA-N 296.418 3.613 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 285824500 NWRKUAITQQVYNZ-IBGZPJMESA-N 296.414 3.859 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 286085033 JWYYUYDFWNESQT-GUDVDZBRSA-N 295.426 3.975 30 20 CHED C=CCC(C)(C)C(=O)N(C)C[C@H](C)c1ccccc1 550548445 VHUDCYDYFFKKDJ-AWEZNQCLSA-N 259.393 3.851 30 20 CHED C=C(C)CSCC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 477014131 YRKJCGKNZDOAGX-KRWDZBQOSA-N 289.444 3.872 30 20 CHED C#C[C@@H](N[C@@H](CCc1ccccc1)C(F)F)C(C)C 809685667 JOOMKWGSGUFPMK-CABCVRRESA-N 265.347 3.500 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1 294694913 XQEIMTFPIVZKHK-UHFFFAOYSA-N 271.364 3.768 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC=CCC1 470649218 QQCNVODZSBFAKP-KRWDZBQOSA-N 269.388 3.948 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)c2ccccc2)CC1 470202825 LTBJANUSPMVRGP-UHFFFAOYSA-N 284.403 3.915 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 642015766 IPKAOZWUUAIWJW-OFQRWUPVSA-N 287.403 3.806 30 20 CHED C[C@H]1/C(=C\c2cc(C(=O)O)cs2)C(=O)c2ccccc21 809157531 UAZVTEMOVFMOEN-CULDGANSSA-N 284.336 3.830 30 20 CHED C=C(C)COC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 805659679 UGQLUPCRCTYZES-UHFFFAOYSA-N 288.734 3.530 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801898169 NICBAKFMBXEATJ-MNOVXSKESA-N 289.228 3.561 30 20 CHED FCCC[C@H]1CCCC1=NN[C@H]1C[C@H]2CC[C@H]1C2 800815140 MZGBYVMTZFAZOK-XFMPKHEZSA-N 252.377 3.670 30 20 CHED Cc1c(NC(=O)C2(C)CCCCC2)ccc(C#N)c1C#N 569469690 NQJIRFDTYIABCI-UHFFFAOYSA-N 281.359 3.647 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@]12CCC[C@@H]1C2 569684096 BXUZSXDMUZZOMK-CXAGYDPISA-N 283.375 3.509 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc2n1[C@@H](C)CCC2 649758558 QBPURXLBPROGNF-AWEZNQCLSA-N 289.423 3.599 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2c(C)nsc2C)cc1 292639708 HGECDADSXKBUME-UHFFFAOYSA-N 299.399 3.629 30 20 CHED C#CCCCC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 297095831 FQQWPAWMXMVVFN-IAGOWNOFSA-N 269.388 3.585 30 20 CHED N#CCc1ccc(C(=O)OCCc2ccccc2Cl)cc1 805518996 DTHGGFHSFRWNBE-UHFFFAOYSA-N 299.757 3.806 30 20 CHED N#Cc1sc(N[C@@H]2CSc3ccccc32)nc1Cl 804464244 RLJBESGYFXWKJZ-MRVPVSSYSA-N 293.804 3.927 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccc(F)cc2C)cc1 814365560 PVPMICNKWGVWRZ-UHFFFAOYSA-N 281.330 3.687 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](F)C2)cc1Cl 564902521 UGNUKHGGKANBMP-GHMZBOCLSA-N 295.745 3.614 30 20 CHED Cn1nncc1NN=C1CCCCCCCCCCC1 814980391 LQHOSZZPJQRCCJ-UHFFFAOYSA-N 277.416 3.888 30 20 CHED CC1(C)CCCC[C@H]1NN=C1CCc2cccnc2CC1 817327360 GWDKTNLKWXYIAC-QGZVFWFLSA-N 285.435 3.875 30 20 CHED C=CCCCN1CCO[C@@H](c2ccc(CC)cc2)C1 484358162 GFUIFOVOMPKBPH-QGZVFWFLSA-N 259.393 3.589 30 20 CHED Fc1ccc(CON=C2CCc3cccnc3CC2)cc1 817326046 LDOKMKOGDAKZTD-UHFFFAOYSA-N 284.334 3.672 30 20 CHED CCCC[C@H](CC)CC(=O)Nc1n[nH]c(C2CC2)c1C#N 573501026 YEOGAFLRVXLVOK-NSHDSACASA-N 288.395 3.704 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCSc2ccccc21 488879104 JJZWGUPRSGJSHD-UKRRQHHQSA-N 287.428 3.833 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(Cl)cc2)c(C(F)F)n1 812239827 FVEFUMYHACAQPB-QPJJXVBHSA-N 296.704 3.907 30 20 CHED Cc1nc(N(CCc2ccc(F)cc2)C2CC2)ccc1C#N 488119722 AZXASVTYQPFFAM-UHFFFAOYSA-N 295.361 3.612 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N1CCC(CCC#N)CC1 575318506 USWLZAGBLUTZAL-HOTGVXAUSA-N 276.424 3.745 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)c2ccc(C)o2)n1 815704806 QDVRACAWJCKBPG-LLVKDONJSA-N 260.337 3.977 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ccnn1CC1CC1 657496375 OZPUUJSTALGDCG-SFHVURJKSA-N 295.430 3.570 30 20 CHED CCOCCON=C/C(C)=C/c1ccccc1OC(F)F 811648493 LPMVUYDUMUTTFJ-ULPVHAHSSA-N 299.317 3.730 30 20 CHED CCC(=NOCCOC(C)C)c1cc(Cl)ccc1OC 812239262 RIENPTBZWFTPHL-UHFFFAOYSA-N 299.798 3.904 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CC[C@@H]2C2CCC2)c1 814694546 OUNXHAYERDDMLY-CYBMUJFWSA-N 259.309 3.573 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(F)cc1 812239835 FYRQZXSSAXHSKP-XBXARRHUSA-N 274.266 3.870 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1cccc(F)c1 819816809 PGRPXHMBGIOEAV-LBPRGKRZSA-N 271.339 3.686 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(C#N)o1 818923787 FJIHDBZWQUMIHP-CYBMUJFWSA-N 276.380 3.972 30 20 CHED C=CCCCCCS[C@@H](C)C(=O)NC1CCCC1 485587658 WRANRPCTOWDABS-ZDUSSCGKSA-N 269.454 3.913 30 20 CHED Clc1ccc(NN=C2CC[C@H](c3ccccc3)C2)nn1 814697979 KYZNRITXRCEYKM-LBPRGKRZSA-N 286.766 3.866 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cc(C)ccc1Cl 811907618 BQYPYBPMTWHQGX-UHFFFAOYSA-N 283.758 3.811 30 20 CHED C=CCn1cccc1C(=O)N(CC)[C@@H]1CCCC[C@H]1C 489996981 YROHOKUBNMIMCU-HUUCEWRRSA-N 274.408 3.715 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1sc(C)nc1C 726738570 YLBPWRLHYKRBDY-UHFFFAOYSA-N 290.348 3.504 30 20 CHED CC1(C#N)CCC(Nc2cnn(-c3ccccc3)c2)CC1 578411330 IAFJLEAXGHXZFL-UHFFFAOYSA-N 280.375 3.757 30 20 CHED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CC2(CCC2)O1 571320703 NANSFBBZTGCBMY-OAHLLOKOSA-N 298.430 3.631 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C(\C)C1CC1 729432629 KFJBVJSHFOABHC-ACCUITESSA-N 262.397 3.521 30 20 CHED CC(C)C#CC(=O)N1CCCCC[C@@H]1c1ccccc1 822693713 ZEUJWLOKVZYRFJ-QGZVFWFLSA-N 269.388 3.790 30 20 CHED C[C@@H](C#N)Oc1ccc(C=NNc2cccc(F)c2)cc1 727684913 QWLOGOKBQWXEII-LBPRGKRZSA-N 283.306 3.563 30 20 CHED CCC[C@@H](C(=O)N1CCC(CCC#N)CC1)c1ccccn1 573003625 UQIZJRKXIKAFGU-MRXNPFEDSA-N 299.418 3.508 30 20 CHED C=CCCCCNC(=O)Nc1cccc2cc[nH]c12 570748732 JPISGQVVZYBVEZ-UHFFFAOYSA-N 257.337 3.646 30 20 CHED CCCCCCCCCn1c(-c2cccnc2)noc1=O 728161586 OTGWMPKIXYLWDL-UHFFFAOYSA-N 289.379 3.649 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CC[C@@H]1CC1(Cl)Cl 824645477 JTTOLZJGFBOJFS-LLVKDONJSA-N 297.185 3.779 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1F 729148978 GJDJHYYLCYHKFL-OQFOIZHKSA-N 256.276 3.736 30 20 CHED C=CCCNC(=O)N1CCCC[C@H]1c1ccc(F)cc1F 665944819 UERXVTCDGMFDDT-HNNXBMFYSA-N 294.345 3.778 30 20 CHED C=CCCOc1cccc(CNC(=O)Nc2ccccc2)c1 584768367 PEAHLWBEDIWFED-UHFFFAOYSA-N 296.370 3.963 30 20 CHED C=C(CC)CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 494462098 ADWUHBBYNKKNGS-GJZGRUSLSA-N 283.774 3.865 30 20 CHED C=CCCC(C)(C)CNC1CCC(CC(=O)O)CC1 902266866 CJFNOTUGAXSLFI-UHFFFAOYSA-N 267.413 3.602 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1cc2ccccc2o1 584755039 OTAUUFJOHWUTCB-LJQANCHMSA-N 275.373 3.621 30 20 CHED N#Cc1ccc(Cl)cc1NCCc1ccc2c[nH]nc2c1 588048309 GWNKEMWRQUKHNS-UHFFFAOYSA-N 296.761 3.743 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1ccc(OC(F)F)cc1 903100287 MLXNARQVLIEKEE-ZDUSSCGKSA-N 282.334 3.878 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)CCC(C)C 497532603 KRQGCTMOERMVLH-AWEZNQCLSA-N 275.392 3.806 30 20 CHED C=CCC1(NC(=O)NCCCOC2CCCC2)CCCC1 663870735 IJHBTUAIKTZAKC-UHFFFAOYSA-N 294.439 3.524 30 20 CHED C[C@H](Nc1cnn(C2CCC2)c1)c1cccc(C#N)c1 901668272 UWVQDRRANQKDSN-LBPRGKRZSA-N 266.348 3.653 30 20 CHED CCCCC(=O)N(O)Cc1cccc2ccccc12 901367467 HHOSOUJNYLUXRO-UHFFFAOYSA-N 257.333 3.748 30 20 CHED CC(C)Oc1cccc(OC(=O)c2cccc(C#N)c2)c1 730931351 PYSRKSFSIYOLNS-UHFFFAOYSA-N 281.311 3.565 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N(C)CC(C)(C)C#N 497143381 IPGDHSIGDXJYMO-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED COc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1C1CC1 839059858 RUZNRNYXXQKODI-WFASDCNBSA-N 299.370 3.812 30 20 CHED C=CCCCCCN(C)[C@H](C)c1ccc(C(=O)O)o1 736097285 CZGWQLOWNHGNMA-GFCCVEGCSA-N 265.353 3.717 30 20 CHED C=CCCNC(=O)Nc1c(C)cc(C)cc1Br 666396686 CYYHABUSLRAIOZ-UHFFFAOYSA-N 297.196 3.764 30 20 CHED C=CCC1(NCc2nc3ccccc3nc2C)CCCC1 661851932 YJDSRLBMWPVUBC-UHFFFAOYSA-N 281.403 3.917 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1C 588598449 MASDNIUVBZDTNR-ALCCZGGFSA-N 286.302 3.744 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2cn(C(C)C)nn2)c1 901524753 NIZIGISXVOJERW-CMDGGOBGSA-N 299.374 3.542 30 20 CHED C#CCCOc1ccc(CN[C@@H]2CCc3ccccc32)cc1 733322783 UPZQNUVWVIOVCN-HXUWFJFHSA-N 291.394 3.866 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(OCC)cc2)c1 834904322 WTYOKQPYBWYWIK-HNNXBMFYSA-N 279.383 3.917 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1ccc(F)cc1Cl 837428036 VEARPYHSMHWKNX-JTQLQIEISA-N 281.758 3.706 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2c1ccc(OC(F)(F)F)cn1 664571742 IMFUSASTTMUUQW-PHIMTYICSA-N 284.281 3.668 30 20 CHED C(=NNc1ccccc1)c1ccc(OC[C@H]2CCCO2)cc1 839383890 QQDWMFMKXDQMOT-GOSISDBHSA-N 296.370 3.690 30 20 CHED N#Cc1sccc1C(=O)NC[C@H](c1ccccc1)C1CC1 908375336 IAPRTFPHWBQMQW-OAHLLOKOSA-N 296.395 3.543 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(C)cnc1Cl 836551563 OADAVZNAQPQYSH-UHFFFAOYSA-N 281.787 3.767 30 20 CHED CCCCc1ccc(C(C)=NNc2cc(C)ncn2)cc1 731936026 XRFHNAPTRHCETN-UHFFFAOYSA-N 282.391 3.964 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1cc(Cl)ccn1 901214731 GBCDENFVZRSMRV-UHFFFAOYSA-N 291.786 3.575 30 20 CHED C#CCN(C(=O)Nc1ccc(N(C)CCCC)cc1)C1CC1 836382750 QMSTWWYYPGBZNJ-UHFFFAOYSA-N 299.418 3.552 30 20 CHED CC(C)C#CC(=O)Nc1cnn(CCC(C)C)c1C(C)C 834392973 CMBBMHRQXZMDFT-UHFFFAOYSA-N 289.423 3.651 30 20 CHED O=C(NO)c1sc2cc(Cl)cc(Cl)c2c1Cl 675046643 OPYLIXBACJITDL-UHFFFAOYSA-N 296.562 3.981 30 20 CHED Cc1cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1C#N 595789281 QIWTUFUKPDCLBG-OALUTQOASA-N 298.430 3.648 30 20 CHED Cc1c(C(=O)NCC2CC(C)C2)sc2ccc(C#N)cc12 598778822 YEXGIWSFEKRMIS-UHFFFAOYSA-N 298.411 3.857 30 20 CHED CCC(C#N)(CC)c1nc([C@@H](C)c2cccc(OC)c2)no1 599127932 QUJXMNRCJISWNE-LBPRGKRZSA-N 299.374 3.811 30 20 CHED C#CCCCC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 838128966 ZRHOOWJXQMGJHM-MRXNPFEDSA-N 261.409 3.607 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 593480880 HCSAYEWUEZZVDD-CQSZACIVSA-N 288.391 3.908 30 20 CHED C=CCc1ccc(OC(=O)[C@H]2CC23CCCC3)c(OC)c1 747297055 FBZWZQNCBNJJDW-CQSZACIVSA-N 286.371 3.909 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)[C@@H]1Cc2ccccc21 749199464 QMFCBTLDUYVGCW-QGZVFWFLSA-N 296.753 3.575 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)c(O)c1 840716338 KOMFDEBPYWUSLZ-SOFGYWHQSA-N 296.370 3.684 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(C#N)s2)c(C)c1 749324298 ZEGGKJKCWGOMNZ-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CC(C)[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 595431275 OHJGWFLGFGDXMY-RDJZCZTQSA-N 299.418 3.719 30 20 CHED C=CCCC(=NNc1nc(-c2ccccc2)no1)C1CC1 747751647 PMOXLQLCSJWLRM-UHFFFAOYSA-N 282.347 3.881 30 20 CHED Cc1ccccc1OCC/N=C\c1cc(Cl)ccc1O 917557960 JMWQNJZZYHFPLT-WQRHYEAKSA-N 289.762 3.852 30 20 CHED Cc1ccccc1C[C@@H](C)/N=C/c1ccccc1O 917557161 ZQILPHYCZORLJZ-CRRKTRLDSA-N 253.345 3.751 30 20 CHED C=C(CNC(=O)[C@@H]1CCCC1(C)C)c1ccccc1 672479972 RRGZHNAJLZRYEX-HNNXBMFYSA-N 257.377 3.642 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc2c(c1)CCC(=O)N2 915992942 GOOPXNYPBVAYHF-YFHOEESVSA-N 291.350 3.776 30 20 CHED CC1=C(C)C[C@H](C(=O)Oc2ccc(C#N)cc2F)CC1 843567266 LZTOARYIVDLNEN-CYBMUJFWSA-N 273.307 3.739 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@H](c1ccccc1)C1CC1 599969571 XVDGHPIJUZGIDO-MRXNPFEDSA-N 284.403 3.626 30 20 CHED O=C1/C(=C\c2cccc(F)c2)CCc2c(O)cccc21 742434499 IGWOJVQDFKBRDD-XFXZXTDPSA-N 268.287 3.744 30 20 CHED CCC1(C/N=C/c2cc3ccccc3nc2O)CCOCC1 745976479 IRQQKRNOMLNDSU-XDHOZWIPSA-N 298.386 3.566 30 20 CHED C=CCC[C@H](C(=O)N1CCC(F)(F)CC1)c1ccccc1 684522345 WZWUFVCEBSKVNW-HNNXBMFYSA-N 293.357 3.994 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H](C)c2ccc(C)o2)cc1 742860267 PRWMGWXDCADVGU-ZDUSSCGKSA-N 286.327 3.862 30 20 CHED CC(=NNc1ncccc1Cl)c1ccccc1C 917549644 XYOJFTOSAYGUNO-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(CN2CCCCCC2)cc1 593426808 NSSYLQMGSPHNKL-INIZCTEOSA-N 299.418 3.551 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N[C@@](C)(C#N)CC(C)C 599236957 PPRLJPVWBYWJPE-MAUKXSAKSA-N 286.419 3.618 30 20 CHED Fc1cccc(CON=C2CCOc3ccccc32)c1 915214585 GRNFHHHNDMNWOO-UHFFFAOYSA-N 271.291 3.529 30 20 CHED C#C[C@H](OC(=O)[C@H](CC)CC(F)(F)F)c1ccccc1 842363697 OBKVIONAMACQKE-YPMHNXCESA-N 284.277 3.883 30 20 CHED CC(C)C(CCc1ccc(Cl)cc1)=NN(C)[C@H](C)CO 842540679 MAPDXVCIAXRXNP-CYBMUJFWSA-N 296.842 3.597 30 20 CHED C#CCCCC(=O)Nc1cc(C)c(Br)c(F)c1 840566890 TZTYOPDFZTULGS-UHFFFAOYSA-N 298.155 3.639 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)O[C@@H](C#N)C2CC2)cc1 747788434 NQNKNNXUICZPBN-RFKZRZAASA-N 283.371 3.843 30 20 CHED C=C(C)CNC(=N)NC[C@H]1CCCC[C@@H]1C(C)(C)C 849063627 NRVTUOLIYHYYQC-KGLIPLIRSA-N 265.445 3.529 30 20 CHED CCCC(CCC)=NNc1ccc(CC(=O)OC)cc1 844607137 QOHPWGTXLUOARF-UHFFFAOYSA-N 276.380 3.770 30 20 CHED Fc1ccc2oc(C=NOCc3cccnc3)cc2c1 746588959 VNLBTBPONKUMOS-UHFFFAOYSA-N 270.263 3.518 30 20 CHED Cc1ccc(/C=C\C(=O)c2c(C)nn(C)c2C)c(Cl)c1 844550824 ZLYBRENZBHEYPN-FPLPWBNLSA-N 288.778 3.895 30 20 CHED C#C[C@@H](OC(=O)CCCOC(C)(C)C)c1ccc(F)cc1 842409053 YQFQZWAYUMWOQG-OAHLLOKOSA-N 292.350 3.639 30 20 CHED CC1=C(C)C[C@@H](C(=O)OCC(C)(C)CCC#N)CC1 842785840 REORBCKJRNFTJS-AWEZNQCLSA-N 263.381 3.996 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(OCCC)c(Cl)c1 844511152 DNJQLWMGAHTENO-SNVBAGLBSA-N 298.770 3.756 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)COc1cccc(F)c1 924736260 ZDOHZDHINHBEAV-QWHCGFSZSA-N 278.371 3.511 30 20 CHED COc1cc(OC)c(N[C@@H](C)CC(C)(C)C#N)cc1F 926098254 UQXKQXWAMRTQMY-JTQLQIEISA-N 280.343 3.583 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(F)cc2)C1 855439272 YQMRTVHIIYYWTB-GDBMZVCRSA-N 289.394 3.819 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 681660264 WCDVSIBRLHWSPA-HNNXBMFYSA-N 297.402 3.633 30 20 CHED CCCCCCCCNC(=O)N[C@H](CC)C1CCOCC1 754862003 IZZNRNHNNMCTBD-MRXNPFEDSA-N 298.471 3.851 30 20 CHED C[C@@H](CCc1ccccc1)OC(=O)Cc1ccc(C#N)cc1 750244355 BCMYKAJGQJBTFB-HNNXBMFYSA-N 293.366 3.665 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C\SCc2ccco2)C1 855438555 KLRSNAXRZVPBMK-KOTGUFOOSA-N 291.416 3.841 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC[C@H]2C)c1 756117128 GLRHBOKVHAFGHH-UNEWFSDZSA-N 272.392 3.646 30 20 CHED C#Cc1cccnc1N1CCC(c2cccc(F)c2F)CC1 853483370 ZNMXPEATXMAFLE-UHFFFAOYSA-N 298.336 3.725 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1ccc(Cl)nc1 751133971 UEQPQVOUVDKADV-SNVBAGLBSA-N 271.751 3.743 30 20 CHED CC(C(=O)N[C@@H](C)c1cccc(C#N)c1)=C1CCCC1 753625589 LOOFHUGOJPKJHT-ZDUSSCGKSA-N 268.360 3.626 30 20 CHED Cc1noc(C)c1C=NNc1cccc(Cl)c1F 921137996 YIVDMBNHVZCMCV-UHFFFAOYSA-N 267.691 3.530 30 20 CHED C#CC(=O)Nc1nc(-c2ccc(CCCC)cc2)cs1 754018271 MTDVGUXPACBLEN-UHFFFAOYSA-N 284.384 3.724 30 20 CHED CC(C)(C=NNc1cc(F)c(F)cc1F)CCC#N 755729608 AFTSOKQHHMVULR-UHFFFAOYSA-N 269.270 3.832 30 20 CHED C=CCC[C@@H](C)Nc1ccc(OCc2nc(C)no2)cc1 757610781 LOVWNIMTZHLOFF-GFCCVEGCSA-N 287.363 3.724 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2c(F)cccc2F)co1 752886118 HBAHKVGLIOWTDR-VOTSOKGWSA-N 277.270 3.972 30 20 CHED CC(=O)Nc1cc(N[C@@H](C)CC(C)(C)C#N)ccc1C 925736938 LJKDQPXUCHBCJI-LBPRGKRZSA-N 273.380 3.694 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1c[nH]c2ccccc12 851212730 ATXWGIVINMYVPG-LBPRGKRZSA-N 284.359 3.582 30 20 CHED CC[C@@H](CSC)N(C)CCCCC1(C#N)CCC1 930180567 XAGLELHMJYWGFL-AWEZNQCLSA-N 268.470 3.924 30 20 CHED N#CC1(CC(=O)O[C@H]2COc3ccccc32)CCCCC1 850904422 WBVFWVASAAACDM-HNNXBMFYSA-N 285.343 3.527 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C 853783054 FWPQENZCPZWOCF-JLLWLGSASA-N 275.845 3.556 30 20 CHED CC(C)[C@H](N[C@H](C#N)c1ccccc1)[C@@H](O)c1ccccc1 852034446 GTLJPYMFRUDHRA-QYZOEREBSA-N 294.398 3.599 30 20 CHED CCc1nc(C=NNc2cc(C)ccc2C)cs1 755565545 PSKJPNLOGNSLOV-UHFFFAOYSA-N 259.378 3.768 30 20 CHED CC(C)C(CCc1ccc(Cl)cc1)=NNCC(C)(C)O 863138054 XVUQYQJZNSSONJ-UHFFFAOYSA-N 296.842 3.645 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1ccc2ccccc2n1 765015097 OPYWJHZUJAXSND-AWEZNQCLSA-N 287.366 3.957 30 20 CHED Cc1cc(OC(=O)c2c(F)cccc2Cl)ccc1C#N 765095468 WAEHHIHDQGDNEB-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C[C@@H]1CCC[C@@H](N2CCC(=NOCC(F)(F)F)CC2)C1 764846827 QXDYHJKKXDBKKJ-DGCLKSJQSA-N 292.345 3.596 30 20 CHED C#CCCc1noc(-c2cc(Cl)cc(Cl)c2)n1 762010168 GDWSIULWPNCUAO-UHFFFAOYSA-N 267.115 3.609 30 20 CHED C=C[C@@H](CC)CC(=O)NC1(c2cccc(F)c2)CC1 933333423 AAUFEQBFGYVHIC-LBPRGKRZSA-N 261.340 3.533 30 20 CHED C#CCCCCNC(=O)N(C1CCC(CC)CC1)C1CC1 767097165 VHNLZKAWBJXSFS-UHFFFAOYSA-N 290.451 3.933 30 20 CHED CC[C@@H]1C[C@H](C)CN1Cc1ccc(O[C@@H](C)C#N)cc1 769448472 RVXHIEHDTZPGGX-OFQRWUPVSA-N 272.392 3.598 30 20 CHED Fc1ccc(NN=Cc2ccc(Cl)o2)c(F)c1 864537069 CXLSNHHYOCQEML-UHFFFAOYSA-N 256.639 3.657 30 20 CHED C#CCCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 766913377 PILWXNBLRXNNEN-UHFFFAOYSA-N 282.362 3.810 30 20 CHED CC1CCC(c2noc(COc3cccc(C#N)c3)n2)CC1 761797989 YCMMMKZOXUPNPR-UHFFFAOYSA-N 297.358 3.814 30 20 CHED Cc1cccc(F)c1NN=Cc1c[nH]c2ccc(C#N)cc12 769827770 JRDYWPVHFQFDML-UHFFFAOYSA-N 292.317 3.933 30 20 CHED N#Cc1ccc(OC(=O)c2cccc3ccsc23)cc1 767049765 LQQXWSVYQLAPBZ-UHFFFAOYSA-N 279.320 3.992 30 20 CHED C#C[C@@H](OC(=O)[C@@H](C)c1ccc(C)o1)c1ccc(C)cc1 860964133 KKFACBFWHFPZPO-GOEBONIOSA-N 282.339 3.918 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](CC)OC2CCCCC2)c1 760502504 KUMCDGMCBVCNPW-SFHVURJKSA-N 299.414 3.759 30 20 CHED FC(F)(F)CON=Cc1cccc2ccccc12 764844140 GTKDZANHWWULFA-UHFFFAOYSA-N 253.223 3.753 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C\c1ccccc1F 762616498 DWFPAUNVDORDET-KTKRTIGZSA-N 288.366 3.818 30 20 CHED Cc1ccc(NC(=O)c2ccc(CC#N)cc2)c(C)c1 58243032 NEGRMGOCLIRGIH-UHFFFAOYSA-N 264.328 3.622 30 20 CHED C=CCOc1ccc(COC(=O)[C@@H]2C[C@H]2c2ccco2)cc1 860658529 KTGKKQSPFOCHEI-HZPDHXFCSA-N 298.338 3.691 30 20 CHED C#CCN(C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1)C1CC1 764737452 BJYFEZIBWHJKDO-OAHLLOKOSA-N 298.430 3.548 30 20 CHED CCCCCCCCOCc1nc([C@@H]2CCCO2)no1 762243776 LGJOMWGUNVXSBJ-ZDUSSCGKSA-N 282.384 3.798 30 20 CHED COc1ccc(NN=Cc2ccc(N3CCCC3)cc2)cc1 1116353929 LZMHGVGBNVAYLZ-UHFFFAOYSA-N 295.386 3.741 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)/C(=C/c1ccc(C#N)cc1)C2=O 1115823377 AMXQWDJMAAMBPX-ZENNRRHLSA-N 289.334 3.956 30 20 CHED CCC(=NNc1ccc(C)cn1)c1cccc(OC)c1OC 872348259 SPFZXBYKKOPHOA-UHFFFAOYSA-N 299.374 3.633 30 20 CHED CCCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)CC1CC1 877908605 XSPOUIKRRKNHIR-LJQANCHMSA-N 298.430 3.549 30 20 CHED CSc1cccc(NC(=O)Cc2ccccc2CC#N)c1 776727494 GZZGYEXDPNVSPT-UHFFFAOYSA-N 296.395 3.656 30 20 CHED CCC[C@H](C)CC(=O)OCc1cccc(C#N)c1F 774938262 DPKGZCPLKJJPQU-NSHDSACASA-N 263.312 3.567 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)c1ccccc1)c1ccccc1 772191509 RVYWJJYYBRMEII-QAPCUYQASA-N 277.367 3.671 30 20 CHED CCN(CCc1ccccn1)Cc1ccc(Cl)cc1C#N 775621219 PRASYLZBZWTRPQ-UHFFFAOYSA-N 299.805 3.671 30 20 CHED C=C(C)COC(=O)C1(Cc2cccc(F)c2)CCC1 773996950 VETUTGBBTHNECC-UHFFFAOYSA-N 262.324 3.658 30 20 CHED C=CCC[C@H](C)OC(=O)Cn1nc(C(F)F)cc1C1CC1 873436187 HTPJMYIXQIOFIW-JTQLQIEISA-N 298.333 3.596 30 20 CHED C=C(Cl)CNC(=O)c1ccc(C(F)(F)F)cc1Cl 774817103 YYIDCCZGZDBCOB-UHFFFAOYSA-N 298.091 3.841 30 20 CHED c1ccc2c(c1)oc1c(NN=C3CC[C@H]4C[C@@H]34)ncnc12 872337962 RDHGSBCSTVTCFL-GXSJLCMTSA-N 278.315 3.574 30 20 CHED CCC[C@H](CC)C(=O)Nc1nc2c(cc1C#N)CCCC2 875523654 FAFIRMIZWOMXQH-LBPRGKRZSA-N 285.391 3.597 30 20 CHED N#C[C@H](OC(=O)c1ccc(N)c(Cl)c1)C1CCCCC1 776387394 QRTZTENQNKVDIR-AWEZNQCLSA-N 292.766 3.551 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N[C@H]1CCCOCC1 776320269 KGYDMEXHFLXSOE-HOTGVXAUSA-N 298.471 3.851 30 20 CHED Fc1cnc(NN=C(CC2CCC2)c2ccccc2)nc1 776187205 CELDSDSTJXVBHG-UHFFFAOYSA-N 284.338 3.622 30 20 CHED C#CCCCCCC(=O)Oc1ccc(C(C)=O)cc1C 779912644 DBPWTJZDUSBVLD-UHFFFAOYSA-N 272.344 3.687 30 20 CHED N#C[C@@H](C(=O)[C@H]1CCc2c(Cl)cccc21)c1ccccn1 776076171 KXBLLJOEZLBBON-UONOGXRCSA-N 296.757 3.641 30 20 CHED CC[C@@H](OC(=O)Cc1ccccc1CC#N)c1ccccc1 777163288 KRZKIPGQFAOBLR-GOSISDBHSA-N 293.366 3.990 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc2c(c1)OCO2 777913299 UKBBSZBXPGQIAS-UTCJRWHESA-N 284.286 3.759 30 20 CHED N#Cc1cc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)ccc1F 1125786820 AJSUWYCSXLVFTG-RYUDHWBXSA-N 286.350 3.852 30 20 CHED Cc1cc2cc(C=NNCCc3ccccn3)oc2cc1C 789105467 RGFLEZXGJGNEND-UHFFFAOYSA-N 293.370 3.611 30 20 CHED O=C(/C=C/c1coc(-c2ccccc2)n1)c1cncs1 787170765 BLDBTZCZYQKPDS-VOTSOKGWSA-N 282.324 3.694 30 20 CHED C#CCCCCCC(=O)OCc1nc(C2CC2)cs1 780032799 UUNXHJRWYFMFPH-UHFFFAOYSA-N 277.389 3.647 30 20 CHED C/C=C(\CC)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 789369909 YCRWSZHEHWWWCY-DKSFEKEHSA-N 288.347 3.968 30 20 CHED N#CC[C@H](C(=O)N1CCC2(CCCC2)CC1)c1ccccc1 1129268214 OCXFIJFGKNJALL-KRWDZBQOSA-N 296.414 3.867 30 20 CHED COc1ccc2c(c1)CC[C@H](Nc1ccc(C#N)cc1)C2 784175659 VXLWYJDCZTZOGP-KRWDZBQOSA-N 278.355 3.536 30 20 CHED C=C1CC(c2noc([C@@]3(C)C[C@@H]3c3ccccc3)n2)C1 896874988 ZCIDSFCUEHSGRB-PBHICJAKSA-N 266.344 3.948 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1ccc(C)cc1)c1ccco1 789744025 ONCITGKNLKKFOQ-IAGOWNOFSA-N 285.387 3.919 30 20 CHED CS[C@@H](C/N=C/c1ccccc1O)C(C)(C)C 783682601 XTRFMEIKADJQRB-NCPSJORJSA-N 251.395 3.589 30 20 CHED CC(C)(C#N)CC(=O)OCc1cccc2ccccc12 785077947 KUIMUBDECDPDAO-UHFFFAOYSA-N 267.328 3.823 30 20 CHED C#Cc1ccc(NCc2c(C(C)C)nn(C)c2Cl)cc1 898506460 VGLQJAVASWCNGD-UHFFFAOYSA-N 287.794 3.790 30 20 CHED CCc1ccccc1CON=Cc1cc(OC)ccc1OC 783554648 DINIFLBLDSDNSP-UHFFFAOYSA-N 299.370 3.817 30 20 CHED C[C@H](c1cccc(F)c1)c1noc(CCCCCC#N)n1 897066489 ARCFZLXLTFLKJH-GFCCVEGCSA-N 287.338 3.987 30 20 CHED Cc1occc1[S@@](=O)CCCCC1(C#N)CCC1 899288716 YSIWQQCYPNMSRO-SFHVURJKSA-N 265.378 3.560 30 20 CHED C=C1CC(c2noc(Cc3cc(F)c(F)cc3F)n2)C1 896882000 GFISXYSABHVLPO-UHFFFAOYSA-N 280.249 3.511 30 20 CHED CC[C@@H](C)COC(=O)C[C@H](CC#N)c1ccccc1 795979976 AIUAQIQNTJIVIP-HIFRSBDPSA-N 259.349 3.663 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccnc(F)c2)c1 794720377 QFKJMWPLVOFGST-HYXAFXHYSA-N 259.255 3.564 30 20 CHED CSc1ccc(C(C)=NNc2cccc(F)n2)cc1F 795006900 STQBHZUAMQEOAY-UHFFFAOYSA-N 293.342 3.918 30 20 CHED CC[C@H](CC(F)F)CN(CCC#N)Cc1ccco1 595332262 IHVSFKVMYVARNE-GFCCVEGCSA-N 270.323 3.677 30 20 CHED CCc1nc(C)c(C(C)=NNc2ncccc2C)s1 790185969 LRQDICYKVFEHBS-UHFFFAOYSA-N 274.393 3.553 30 20 CHED CCCCN(C)c1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 796256004 QETZHZIKCZNUNX-QGZVFWFLSA-N 287.407 3.801 30 20 CHED C#C[C@H](NC(=O)CCCCCc1ccc(F)cc1)C(C)C 799042729 NDEJPLIWBFJGJI-KRWDZBQOSA-N 289.394 3.703 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)C[C@H]1C 1208346047 KNKUORDODYBRSN-GYSYKLTISA-N 289.354 3.644 30 20 CHED CC1(C)CCCC[C@@H]1NN=C[C@]1(C)CCCS1 793051134 HFWNXLOPRZJZCZ-JSGCOSHPSA-N 254.443 3.816 30 20 CHED N#CC1(CNCc2ccccc2-c2ccccc2)CC1 797604870 DUIXWMYPWILLMR-UHFFFAOYSA-N 262.356 3.747 30 20 CHED C=CCCOCCN[C@@H](C)c1cc(C)c(OC)c(Cl)c1 796848200 POHIPNJAELMTHC-ZDUSSCGKSA-N 297.826 3.900 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cncc(Br)c1 568276763 OZVFUUKJOAFILX-GXFFZTMASA-N 283.213 3.849 30 20 CHED Cc1ccc(CN(C)C(=O)c2ccc(C)c(C#N)c2)s1 799330472 GHEPXYJMLZPXGL-UHFFFAOYSA-N 284.384 3.509 30 20 CHED Fc1ccc(CNN=Cc2ccc3occc3c2)cc1F 794898105 YDHMCMJUFSCVOC-UHFFFAOYSA-N 286.281 3.835 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccnn1-c1ccc(F)cc1 794941495 PLYHZVMWJZRQQI-SREVYHEPSA-N 296.301 3.809 30 20 CHED CCCCCCCN1CC[C@@H](C)[C@H](n2ccnc2)C1 767435625 UNOXFPGBIKPXLB-HZPDHXFCSA-N 263.429 3.736 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1cccc(C#N)c1 1308658043 YHDFHULACPBZOY-CABCVRRESA-N 258.365 3.564 30 20 CHED C[C@H](CCc1ccccc1)CNc1n[nH]c(C2CC2)c1C#N 1308430614 PFJUJZCDNCYJHF-CYBMUJFWSA-N 294.402 3.840 30 20 CHED CC[C@H](C)Oc1cccc(N[C@H]2CCC[C@@H](C#N)C2)n1 1308911993 LXRGXARAPMSMQV-MJBXVCDLSA-N 273.380 3.753 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H](C#N)C1 1232006738 MQTCLLKZCKUEHA-GFCCVEGCSA-N 282.309 3.749 30 20 CHED CCC(C)(C)c1ccc(N=c2cc[nH]c(C#N)c2)cc1 1163223858 BOTQIYOSOILWRU-UHFFFAOYSA-N 265.360 3.806 30 20 CHED Cc1csc(NC(=O)NCC2(CC(C)C)CC2)c1C#N 1310701227 QVSHMYHTYAWRCL-UHFFFAOYSA-N 291.420 3.876 30 20 CHED C=CCCCOC(=O)[C@@H]1Cc2ccc(C)cc2S1 1328687727 UWZUEXXSHXBQJT-AWEZNQCLSA-N 262.374 3.521 30 20 CHED CCOc1cc(C=NOC(C)(C)C)ccc1OC(=O)CC 1326101585 RPTCOWHHVOXJKV-UHFFFAOYSA-N 293.363 3.550 30 20 CHED N#Cc1cc(C(=O)N2CCCCc3sccc32)cs1 1324439252 BDAHKIYFJVEHHN-UHFFFAOYSA-N 288.397 3.664 30 20 CHED N#Cc1ccnc(/C=C/c2csc(-c3ccccn3)n2)c1 1321170977 UYWVPRVKHVMADJ-SNAWJCMRSA-N 290.351 3.642 30 20 CHED C=CC[C@H]1CCCN([C@H](C(=O)O)c2ccccc2Cl)C1 1327038472 JRNGYEMGSUFLEF-WFASDCNBSA-N 293.794 3.754 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2cccc(F)c2C#N)C1 1181196569 RHPQQNPIBKDKQQ-CQSZACIVSA-N 274.383 3.955 30 20 CHED COc1ccc([C@@H](C)SCc2cc(C#N)ccn2)cc1 1188683753 IRKUMFKIFYZREC-GFCCVEGCSA-N 284.384 3.956 30 20 CHED CC(C)c1ccc(C(=O)Nc2cnc(Cl)cc2C#N)cc1 1256486239 NIFCRXLTWDMADC-UHFFFAOYSA-N 299.761 3.982 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](c2ccccc2)C(C)C)n1 1333534207 PFXVWORTJXGFFR-QGZVFWFLSA-N 293.370 3.640 30 20 CHED CCC(CC)[C@H]1C[C@@H](Nc2cccc(CC#N)n2)CCO1 1255103149 DARYJGZNKGRUKH-JKSUJKDBSA-N 287.407 3.543 30 20 CHED CN(c1ccnc(C#N)c1)[C@H]1CCC[C@H]1c1ccccc1 1186675433 KUHDHJTYEOGTJJ-ROUUACIJSA-N 277.371 3.726 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2cc(C)oc2C)CC1 1331748067 ACPSINIQCLXYOU-GFCCVEGCSA-N 261.365 3.820 30 20 CHED CC(C)CCC=NNc1cncc(Br)c1 1261236696 SUPNQNQLYHYNFM-UHFFFAOYSA-N 270.174 3.678 30 20 CHED C=C(C)Cn1c(N2C[C@@H](C)C[C@H]2CC)nnc1C(C)(F)F 1341808539 OLWCHMYDCPHEKJ-NWDGAFQWSA-N 298.381 3.591 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)c1cscn1)c1cccs1 1346401116 MJXDUHSUZCSFGA-SKDRFNHKSA-N 292.385 3.652 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 1263703382 RAIXXRDUXFYNSY-SNVBAGLBSA-N 293.317 3.575 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1ccccc1Cl 1345654911 WUDNNHMNUBZFRK-AWEZNQCLSA-N 263.768 3.970 30 20 CHED CC(C)OCCNN=Cc1ccc(-c2ccccc2)s1 1341925602 BGXAJQGUNBGPGN-UHFFFAOYSA-N 288.416 3.764 30 20 CHED C=C(C)Cn1c(N2CCC(C)=C(C)C2)nnc1C(C)(F)F 1345923034 CEZSRKRUPHGUSP-UHFFFAOYSA-N 296.365 3.512 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 1196400886 ZKNVRSKDVFDVMY-KBPBESRZSA-N 271.364 3.506 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC(C)C)cc1F 1346776975 RURWTHORMVZRBF-UHFFFAOYSA-N 265.328 3.908 30 20 CHED C=C(CC(C)C)C(=O)Nc1cccc2oc(C)nc12 1347160535 JMBXCZPDOQFRGW-UHFFFAOYSA-N 258.321 3.677 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc(OC3CCCC3)cc2)C1 1344017000 KJMIXPYPLAHHBS-SUMWQHHRSA-N 299.370 3.857 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2ccn(C)c2c1 1355075157 VXSRXIBFDAUZTP-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCCC[C@H]1CC(C)C 1356121064 BRYYLDCYCIUUJV-LBPRGKRZSA-N 298.381 3.807 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCC(C)(C)C[C@H]2C)n1 1458229122 HROWYSTVIRKHTQ-BXUZGUMPSA-N 257.381 3.888 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](C)CCC(C)(C)C 1522231050 ZURAGYJUYHZFDY-CYBMUJFWSA-N 272.392 3.811 30 20 CHED Cc1csc(NC(=O)c2ccc3cccnc3c2)c1C#N 1525674787 OITCPKAFMQTSKK-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@H](Nc1cc(C#N)cnn1)c1ccc(F)c2ccccc12 1458411611 AMOYFUGGUPAXKL-NSHDSACASA-N 292.317 3.814 30 20 CHED CSc1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)n1 1524301004 CVRKTYOYAJMSTM-LLVKDONJSA-N 298.367 3.593 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)[C@@H]1CCCC[C@@H]1C 1528044229 LHGQSPSGPWFOAG-WMLDXEAASA-N 284.403 3.908 30 20 CHED C[C@@H]1C/C(=C/c2cc(C(=O)O)co2)C(=O)c2sccc21 1609843812 WOYUXWJFMKVJCV-CPJBWDMUSA-N 288.324 3.813 30 20 CHED C=C(Cl)CN[C@H](C)c1cc(Br)cs1 226397668 DAFKKAIFDFCKSV-SSDOTTSWSA-N 280.618 3.914 30 20 CHED Cc1ccc(C(=O)NCC2(C)CCC(C)CC2)cc1C#N 1531566620 VCOVMDRLURQNFR-UHFFFAOYSA-N 284.403 3.813 30 20 CHED Cc1cc(N[C@H]2CCC[C@H]2C(C)(C)C)ncc1C#N 1559209505 DDHSVVVXLWALNU-KGLIPLIRSA-N 257.381 3.888 30 20 CHED Cc1cccc2[nH]c(CN(C)Cc3ccc(C#N)cc3)cc12 1560681909 XPJAFNLHIOFABI-UHFFFAOYSA-N 289.382 3.980 30 20 CHED CC(=O)c1cc(C(=O)Nc2cccc(CC#N)c2)ccc1C 1587609448 MONBTJBQZUDATL-UHFFFAOYSA-N 292.338 3.516 30 20 CHED C=CCC1(N[C@H](C)c2ncc(C(=O)O)s2)CCCCC1 1588768789 GEVHWLBUNJOXRB-LLVKDONJSA-N 294.420 3.771 30 20 CHED CCN(CCOc1ccccc1C)c1cccc(F)c1C#N 1651964541 PYOVFWZSRIPWHW-UHFFFAOYSA-N 298.361 3.911 30 20 CHED C=CC[C@H]1CC[C@@H](Nc2cc(C)cc(C(=O)O)c2)C1 1588770998 LEIJYCAPSNMCEL-GXTWGEPZSA-N 259.349 3.850 30 20 CHED C=CC[C@H](C(=O)O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 1588729101 HDHNJACOEKRCCK-BHYGNILZSA-N 287.403 3.531 30 20 CHED CCCCC1CCC(CN=c2cc[nH]c(C#N)c2)CC1 1650676951 PARXYEIHJZRKPI-UHFFFAOYSA-N 271.408 3.784 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1cccc(C#N)c1 1665581914 FORFHEKKHGWPKH-DOMZBBRYSA-N 285.391 3.895 30 20 CHED COC[C@H](CC(C)(C)C)Nc1cc(F)cc(C#N)c1 1665454755 YBOCAXZCILACCM-AWEZNQCLSA-N 264.344 3.560 30 20 CHED Cc1ccc(Cl)cc1NN=C1CC[C@@H](CC(=O)O)[C@H]1C 1776106536 KFFNWBCYNQAQEL-MNOVXSKESA-N 294.782 3.937 30 20 CHED CC1(C)CCCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776074446 APMVGPOESIELCV-UHFFFAOYSA-N 278.327 3.892 30 20 CHED Cc1ccsc1C(=O)/C=C\c1csc(C(=O)O)c1 1777477430 ZMUNPKJAYWMSMG-IHWYPQMZSA-N 278.354 3.712 30 20 CHED C[C@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)[C@@H]1C 1776062883 PJCJUKKZEYEYIE-VHSXEESVSA-N 278.327 3.748 30 20 CHED N#Cc1ccc(CNCC2(Cc3ccccc3)CCC2)o1 150957260 YOMBCWUODOEMSI-UHFFFAOYSA-N 280.371 3.654 30 20 CHED C=CCN(C)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 161432300 VPEFHNAKXRWWLT-LBPRGKRZSA-N 296.823 3.704 30 20 CHED C=CCN(C)C(=O)CCc1ccc(C(C)(C)C)cc1 161584732 DKUWLCMBXKVHOA-UHFFFAOYSA-N 259.393 3.561 30 20 CHED C=CCn1c(C)nnc1SCCCSCC(C)C 161952216 NRJSDFKEFLLRKP-UHFFFAOYSA-N 285.482 3.644 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccc(F)cc1F 151978442 QRIGEQCTUKVGIT-SECBINFHSA-N 271.332 3.601 30 20 CHED Fc1ccc(/C=N/OCc2csc(C3CC3)n2)cc1 152759881 KWOSKMJJMSUQLC-FRKPEAEDSA-N 276.336 3.710 30 20 CHED C=CCCSCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 154970863 RXOQKJLEPXUMDF-LLVKDONJSA-N 299.386 3.794 30 20 CHED CCOc1ccc(Nc2snc(C)c2C#N)cc1F 126759229 ADOCOBCLEXSEDE-UHFFFAOYSA-N 277.324 3.605 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1ccsc1 271385718 PLVSCKVWQVMYQS-CQSZACIVSA-N 261.390 3.605 30 20 CHED CC1(C)CN(c2nc(Cl)c(C#N)s2)[C@H]2CCC[C@@H]21 294022205 KUBSXRNGKJTNCQ-IUCAKERBSA-N 281.812 3.683 30 20 CHED N#Cc1ccc(NCCc2nccs2)cc1C(F)(F)F 63135500 ZIMVZMFLJKEDLZ-UHFFFAOYSA-N 297.305 3.688 30 20 CHED C=CC[C@H](C)NC(=O)c1scc(C)c1Br 190939537 GWQHYKWGMCVGEZ-QMMMGPOBSA-N 288.210 3.513 30 20 CHED Cc1ccc(C#N)c(N2CC[C@H](CC(C)(C)C)C2)n1 307780056 TZLUQXMDKKDSJJ-CYBMUJFWSA-N 257.381 3.524 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(CC#N)cc1 402487837 BGEUJAXPAIYZHK-LLVKDONJSA-N 284.281 3.670 30 20 CHED CC(C)C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 404083972 QOKKPXDBMIQJSS-AWEZNQCLSA-N 260.356 3.565 30 20 CHED C=CCCCN[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 309872433 RXGVDPYEOAXSIZ-CABCVRRESA-N 296.455 3.578 30 20 CHED N#Cc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1Cl 311339484 HORWSHSJKCPCOH-RYUDHWBXSA-N 274.751 3.586 30 20 CHED COc1cc(C)nc(COc2cc(Cl)cc(C#N)c2)c1 312230937 CTMNXMZIPFFOHX-UHFFFAOYSA-N 288.734 3.503 30 20 CHED C=CCC(C)(C)CNCc1ccccc1N1CCCC1 312339627 NHGDOFPPYFFROF-UHFFFAOYSA-N 272.436 3.979 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)CCC3)cc1F 359026979 GIDHTUUXDUWDKH-UHFFFAOYSA-N 266.319 3.798 30 20 CHED C=CCCSCCN[C@H](C)c1nc2ccccc2n1C 595061250 ZIBYCCVAQMQUBG-CYBMUJFWSA-N 289.448 3.533 30 20 CHED C=CC[C@@H](CC)NCc1cc2cccc(OC)c2o1 393761989 MLYXANMYFOYADR-CYBMUJFWSA-N 259.349 3.886 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(OC)c(F)c1 393809211 RHCUEJMLUUFMBN-AAEUAGOBSA-N 251.345 3.840 30 20 CHED C=CC[C@H](CC)N[C@@H]1C[C@@H](OCC)C12CCCC2 393802420 MPLFIDMQDMOZIR-RRFJBIMHSA-N 251.414 3.669 30 20 CHED C=CCCSCc1ccc2oc(C(=O)O)cc2c1 825676068 RDWYZHPGXSWTOE-UHFFFAOYSA-N 262.330 3.940 30 20 CHED N#Cc1c(Cl)cccc1NCC[C@H]1C[C@H]2CC[C@H]1O2 413417124 YLPGSIWRVGPHHO-FIXISWKDSA-N 276.767 3.581 30 20 CHED C/C=C(\C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 176036783 JNMOYODCGNWIGM-QNCMIEPLSA-N 274.389 3.986 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1c(OC)ccc2ccccc12 116937145 APAUGXSDUOOEFV-CYBMUJFWSA-N 298.386 3.612 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)[C@H](C#N)c1ccccn1 116592219 RTJMKCSPSDCZEA-GDBMZVCRSA-N 278.355 3.760 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](C)c2ccccn2)c1 56551952 OUKLHFYNXBHUGS-CYBMUJFWSA-N 297.358 3.529 30 20 CHED N#CCC1(COC(=O)CCc2cc(Cl)cs2)CC1 174734333 QBADJKKHBPSDAC-UHFFFAOYSA-N 283.780 3.571 30 20 CHED C=C(Br)CN[C@@H](CC)c1ccccc1 51627972 SDKSSOGTYAKRFD-LBPRGKRZSA-N 254.171 3.636 30 20 CHED COCCCCCNc1ccc(C#N)cc1Br 134741349 OAVOCZIVFAGEAZ-UHFFFAOYSA-N 297.196 3.549 30 20 CHED C[C@H](CC#N)NC(=O)c1ccc(C2CCCCC2)cc1 64333208 BTQVGPDZWMXMME-CYBMUJFWSA-N 270.376 3.766 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1C 175177113 WXKYZJZCAWJSHX-STQMWFEESA-N 285.391 3.750 30 20 CHED N#Cc1cccc(NC/C=C/c2ccccc2[N+](=O)[O-])c1 179550760 ORZOYGKRCRAKFG-QPJJXVBHSA-N 279.299 3.592 30 20 CHED CN(C)C(=O)c1cccc(CSc2ccccc2C#N)c1 172682251 MQZHRHOBXXQJIZ-UHFFFAOYSA-N 296.395 3.552 30 20 CHED C=CCOCCCC(=O)Oc1ccc(Cl)cc1Cl 173922287 HSOWUNUWIXYDAH-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C=CCCCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 175242831 SUMYYAGUXCWRSF-NSHDSACASA-N 267.319 3.841 30 20 CHED Cc1sc(NC(=O)CNc2ccc(C#N)cc2)c(C)c1C 172848393 OXDNFZGDWRYQNS-UHFFFAOYSA-N 299.399 3.596 30 20 CHED C=CC[C@H](C)N[C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C 248696969 DOSFITGSUXNMRL-SOUVJXGZSA-N 296.455 3.719 30 20 CHED Cc1c(C(=O)N(C)c2cccc(C#N)c2)oc2ccccc12 63325054 YLXKFNCBLJZZMN-UHFFFAOYSA-N 290.322 3.890 30 20 CHED C=CCCCNc1cccc(-c2ccnc(C)n2)c1 172645271 KZUCOQKPSUGVLK-UHFFFAOYSA-N 253.349 3.830 30 20 CHED Cc1ccccc1[C@H](NC(=O)N1CCC(C#N)CC1)C(C)C 69959311 BJSVIBUXFAFIIC-QGZVFWFLSA-N 299.418 3.637 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(COc2ccccc2)cc1 116852975 AQUREQGOZLZPDW-HNNXBMFYSA-N 295.382 3.960 30 20 CHED Cc1cc(CSCCOCC(C)C)ccc1C#N 409860215 VLZLBJOSYGDCOK-UHFFFAOYSA-N 263.406 3.773 30 20 CHED N#Cc1cc(F)c(NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c(F)c1 301691053 KHOGAFGUEQXQRH-CPUCHLNUSA-N 296.320 3.834 30 20 CHED C=CCCCC(=O)Nc1cccc(OC(F)(F)F)c1 175211474 JTUJNRHCKQDJDV-UHFFFAOYSA-N 273.254 3.880 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1sc(C(C)(C)C)nc1C 119350334 CJUAOXGNQVEVNK-ZJUUUORDSA-N 252.427 3.974 30 20 CHED C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 68857703 AHCVKQAVXIMUKB-NSHDSACASA-N 291.782 3.866 30 20 CHED CC1CCC(=CC(=O)Nc2sccc2C#N)CC1 114634626 IBVIZFXFWDWQBR-UHFFFAOYSA-N 260.362 3.695 30 20 CHED C=CCNC(=O)c1ccccc1Sc1ccccc1 172925215 CHWANLCXONMQMI-UHFFFAOYSA-N 269.369 3.754 30 20 CHED CC[C@@H](C#N)OC(=O)CCCc1ncc(-c2ccccc2)o1 176017172 GMFYAWQERNKABM-AWEZNQCLSA-N 298.342 3.510 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cn(C)c2ccccc12 171549176 IJZPJKFMNPEIJZ-UHFFFAOYSA-N 297.402 3.580 30 20 CHED CC(C)(C#N)c1ccccc1CNc1cccc(CO)c1 179880038 YTIDROMDPVUOIP-UHFFFAOYSA-N 280.371 3.592 30 20 CHED C=CCCCOC(=O)C[C@@H](C)c1cccc(F)c1 303684173 JXBGKNXPFFYXFP-GFCCVEGCSA-N 250.313 3.829 30 20 CHED C=CC1CCN(CCOc2ccccc2Cl)CC1 600681575 VWOSLMBIXWCLNV-UHFFFAOYSA-N 265.784 3.617 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1cccs1 33403266 YNTQJIBSFGNMIH-SREVYHEPSA-N 259.286 3.552 30 20 CHED CCCCOc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 120191569 FTXSDDZBOGGFNF-CYBMUJFWSA-N 289.379 3.631 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N1CCCC2(CC2)C1 184831360 FBPCHVMFECWYAG-UHFFFAOYSA-N 299.324 3.765 30 20 CHED CC(C)(C)OCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 76154008 XEWCAOOJKLEOJA-IRXDYDNUSA-N 286.419 3.573 30 20 CHED COc1ccc(Cl)cc1/C=C\C(=O)c1ccco1 212543519 FIRRQXAYIUNXIA-XQRVVYSFSA-N 262.692 3.838 30 20 CHED N/C(Cc1ccccc1)=N\OCc1c(F)cccc1Cl 71939163 AANIINQPNIRUHY-UHFFFAOYSA-N 292.741 3.511 30 20 CHED Cn1ccc2cccc(NCC(C)(C)CCC#N)c21 189198561 KOQYROPPPVYGPW-UHFFFAOYSA-N 255.365 3.920 30 20 CHED CC#CCCCC(=O)NCC1(Sc2ccccc2)CC1 185517362 UIMNVQDVLMZHDZ-UHFFFAOYSA-N 287.428 3.621 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)[C@H](C)c1ccccc1 180558337 SVAITPPKIFXYEX-JKSUJKDBSA-N 294.398 3.871 30 20 CHED C=CCC[C@H](O)CN[C@H](CC)c1ccc(Cl)cc1 121774692 DUXVNDDWROKGSF-LSDHHAIUSA-N 267.800 3.708 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccco1 121603645 IUHGVAJTGNTTJC-HZPDHXFCSA-N 281.355 3.598 30 20 CHED C=C[C@@H](C)N[C@H]1CCCc2ccc(Br)cc21 128834187 QTASPUCRSMRLJQ-YGRLFVJLSA-N 280.209 3.991 30 20 CHED C#CCCCCC(=O)Oc1ccc(CC=C)cc1OC 120379945 OSDRGFVPNPLTMG-UHFFFAOYSA-N 272.344 3.523 30 20 CHED N#CC1(CCN(CC(F)(F)F)C2CC2)CCCCC1 411405222 CEDIPNKLXWDTJX-UHFFFAOYSA-N 274.330 3.877 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CCO[C@H](CC)C2)C(C)C)c1 180165451 VZZDDSZICJRFTO-FUHWJXTLSA-N 299.414 3.615 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@H](C)c1ccccc1 410223191 IJWDCOWMLIBAAL-YOEHRIQHSA-N 259.393 3.899 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)Cc1ccccc1Cl 410828404 NPDROATXZGGUCQ-OCCSQVGLSA-N 292.810 3.669 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H](C)C1 185772114 ZXDOWGUAPVIMDX-KGLIPLIRSA-N 252.402 3.563 30 20 CHED N#Cc1cc2ccccc2nc1NCc1cccc(F)c1 71385752 JRWNGCOGTIXVNG-UHFFFAOYSA-N 277.302 3.858 30 20 CHED Cc1cc2occ(CC(=O)N[C@@](C)(C#N)C(C)C)c2cc1C 122231828 VDRWKBGMPDMNND-SFHVURJKSA-N 298.386 3.647 30 20 CHED C=CCSCCNC(=O)Nc1c(C)cccc1SC 184947181 UKDKRYHJMCNOJG-UHFFFAOYSA-N 296.461 3.758 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)c1nc2c(s1)CCC2 413397820 QVCYLFJGKRMZSO-VIFPVBQESA-N 287.363 3.816 30 20 CHED CN(CCCSCC#N)C1CCC(C)(C)CC1 127618886 ZIWLCEFLPFWMLQ-UHFFFAOYSA-N 254.443 3.534 30 20 CHED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCCSCC#N 74991187 AZJNVXHZJFXSBN-DZGCQCFKSA-N 292.423 3.650 30 20 CHED CN(CCCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 411998294 MPEONRYUTQPPBM-SJORKVTESA-N 256.393 3.948 30 20 CHED Cc1nsc(NCc2cnccc2C(C)(C)C)c1C#N 413520109 SMEAUMYNRFRTLI-UHFFFAOYSA-N 286.404 3.628 30 20 CHED C=C(C)CN(CC)Cc1nc2ccc(Cl)cc2n1C 505858299 CASZZXBNHIEGQP-UHFFFAOYSA-N 277.799 3.625 30 20 CHED C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1nccs1 414222598 NBOROPCBDBHFRB-UWVGGRQHSA-N 275.352 3.566 30 20 CHED N#Cc1cccc(Oc2ccc(F)c(Br)c2)n1 137062816 AMXUKSJYKQZCCL-UHFFFAOYSA-N 293.095 3.647 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](C)[C@@H](C)CC)c1 502965291 BNMSIHBPLFNIDJ-QWHCGFSZSA-N 261.365 3.872 30 20 CHED Cc1cccc(CNc2nc(C(F)(F)F)ccc2C#N)c1 78833402 PXPLATSUJQMCSY-UHFFFAOYSA-N 291.276 3.893 30 20 CHED Cc1ccc2nc(SCC3(C#N)CCC3)[nH]c2c1 450622711 JUCZSHIMGKPUGI-UHFFFAOYSA-N 257.362 3.657 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)c1 76106428 YCWMZHPLDLQXND-SNAWJCMRSA-N 287.240 3.872 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(NC(=O)OC)c(F)c1 135177544 YFSJXGJFGSWCMW-OAHLLOKOSA-N 294.326 3.545 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](CC)[C@H]1CCOC1 414297289 HECFKBCPYAMTBM-KSZLIROESA-N 273.420 3.579 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1ccc(C)cc1C 45510339 OZZBITBXASNFCO-UHFFFAOYSA-N 278.355 3.842 30 20 CHED Cc1ncc(N=C(O)C2CCCCC2)c(C2CC2)n1 328800345 YHSCUMSBFOSYIK-UHFFFAOYSA-N 259.353 3.831 30 20 CHED C=CCOc1ccc(CNC2(C)CCOCC2)cc1Cl 131178117 XBMVVKQQJSJKLR-UHFFFAOYSA-N 295.810 3.564 30 20 CHED N#Cc1ccc(Cl)cc1Oc1nccc(C(F)(F)F)n1 335690987 KVKSNPIIARLZMJ-UHFFFAOYSA-N 299.639 3.813 30 20 CHED C=CCN(CCc1ccccc1)[C@H](C)c1cccnc1 411203186 WQAOAZGAMMMAAS-MRXNPFEDSA-N 266.388 3.873 30 20 CHED N#CCc1ccc(NCc2nc3c(s2)CCCC3)cc1 612691805 HNWSAXADRLFBSJ-UHFFFAOYSA-N 283.400 3.700 30 20 CHED C[C@H](Cc1ccsc1)NCC(C)(C)CCC#N 229693176 XIFZPSYBTZJEEJ-GFCCVEGCSA-N 250.411 3.599 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)CC(F)(F)F 416767257 HRPMTQVMJFGTIY-SECBINFHSA-N 299.296 3.577 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccccc1OC 48176460 FBMWUWSVPOIOIC-UHFFFAOYSA-N 283.327 3.545 30 20 CHED OC1=NCCC[C@H]1/N=C(/O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 328777114 LIQDFBRAVRVBSF-IGQOVBAYSA-N 278.396 3.668 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1C 46440960 XARRLQVQWTXOBD-AWEZNQCLSA-N 289.338 3.670 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2ccccc2F)o1 84711824 OCDHSRXKOGBFKH-JTQLQIEISA-N 273.263 3.545 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1 134502737 AQVYPEMKDMCIPP-XBXARRHUSA-N 269.325 3.524 30 20 CHED Cc1cccc(CC[C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 424319550 DZIADSDCACWKBO-BHYGNILZSA-N 256.393 3.598 30 20 CHED Cc1cccc(NCc2cn3ccccc3c2C#N)c1 193409750 FEFJXMVNEJZPLL-UHFFFAOYSA-N 261.328 3.732 30 20 CHED Cc1ccc(C(C)(C)/N=C(/O)c2oc(C3CC3)nc2C)cn1 329790493 TYWMQUZXQDJXFO-UHFFFAOYSA-N 299.374 3.804 30 20 CHED C[C@](C#N)(NC(=O)C1CCCCC1)C1CCCCC1 519855204 ASFOJJUKJZFHLT-MRXNPFEDSA-N 262.397 3.545 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)[C@H](C)C1 329354258 YJVNFHKTIQMYBE-NDBYEHHHSA-N 266.385 3.667 30 20 CHED C=CCSCCN[C@H](CC)c1ccccc1F 226616174 LPJUXZUHFVTGPN-CQSZACIVSA-N 253.386 3.786 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1ccccc1CC#N 334589186 HUGCLCUNDUJAAV-UHFFFAOYSA-N 284.746 3.967 30 20 CHED COc1ccccc1[C@@H](C)[S@@](=O)Cc1ccc(C#N)cc1 83080334 MMUFJUDTNLWDMI-LRTDBIEQSA-N 299.395 3.577 30 20 CHED N#CCC1CCN(c2ccc3ccc(F)cc3n2)CC1 335699294 PUMVSMHAHCLEJD-UHFFFAOYSA-N 269.323 3.504 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)cc1C)C(F)(F)F 614403539 IQBOWXBTUNQCJZ-CYBMUJFWSA-N 270.298 3.687 30 20 CHED COCCSCCCOc1c(C)cc(Cl)cc1C#N 421187459 HQRSXMOPBKKJHO-UHFFFAOYSA-N 299.823 3.669 30 20 CHED N#CCSCCCSc1nnc(-c2cccs2)o1 80708806 IFNZGRBOVTVQGH-UHFFFAOYSA-N 297.430 3.537 30 20 CHED C[C@@H]1C[C@H]1[C@@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 420606163 WWVUVBCPCZMZIS-HQQWDMGQSA-N 298.777 3.811 30 20 CHED CCCC[C@H](CC)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 193358758 HOZMEQRZBAIDTJ-KXBFYZLASA-N 298.430 3.770 30 20 CHED CCCCCCCCCNC(=O)C[C@H]1CCCOC1 192552908 KDCLSZWHNOPKCI-OAHLLOKOSA-N 269.429 3.670 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(C#N)c1C)C1CC1 337868892 MHIORCUFMUNCAG-TZMCWYRMSA-N 284.403 3.906 30 20 CHED C=CCOCCN(Cc1cccc(C)c1)Cc1ccco1 339026615 DJKINCIYQUKUMX-UHFFFAOYSA-N 285.387 3.793 30 20 CHED Cc1ccsc1CNC(=O)c1cc(C#N)ccc1Cl 336114348 RVXYRDPAEMSCTM-UHFFFAOYSA-N 290.775 3.512 30 20 CHED CN(Cc1cc(C#N)cs1)C1CCC(F)(F)CC1 336622373 ARKHRNYPJCRWFP-UHFFFAOYSA-N 270.348 3.629 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(C#N)c1C 510497309 UWISULWBPNBPSV-XJKSGUPXSA-N 270.376 3.565 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc(C#N)ccc1Cl 335111526 WOMMHHCABQPARK-UHFFFAOYSA-N 295.729 3.644 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCOC3(CCCC3)C1)CC2 336004746 VSLZHNXZSHQZCK-SJLPKXTDSA-N 296.414 3.627 30 20 CHED CCOc1cccc(CN(CCC#N)CC(C)(C)C)c1O 93101172 VVRFLNGNWIOGPR-UHFFFAOYSA-N 290.407 3.553 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](C)c1cc2ccccc2o1 436067398 GCDFVIRPCRUKJL-SNVBAGLBSA-N 294.310 3.697 30 20 CHED Cc1oc(C(C)C)nc1C(=O)Nc1cccc(C#N)c1C 336255338 OWEYASPARKNLEN-UHFFFAOYSA-N 283.331 3.539 30 20 CHED C=CCC[C@@H](NC[C@H](c1ccc(F)cc1)N(C)C)C1CC1 439088620 VCOIPIPYGVVWEG-QZTJIDSGSA-N 290.426 3.763 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1CCC(F)(F)CC1 334251294 IHIKEDNGKMHIRM-UHFFFAOYSA-N 293.317 3.566 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(-n2cccc2)c1)OCC 339425246 YVDONINUOPGOEK-KRWDZBQOSA-N 298.386 3.787 30 20 CHED CC(C)(CC(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 434031559 NSIZVLKBEPPUPU-MRXNPFEDSA-N 298.430 3.895 30 20 CHED COc1c(Cl)cccc1NCC#Cc1ccc(F)cc1 433469188 KMBFIJMHVUDKBK-UHFFFAOYSA-N 289.737 3.951 30 20 CHED CCCc1ccccc1NC(=O)N(C)CC(C)(C)C#N 432688734 DIFORTNATNUULZ-UHFFFAOYSA-N 273.380 3.653 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cnn(C(C)(C)C)c1 93276877 QZKPHTKKZIWCAN-UHFFFAOYSA-N 292.427 3.848 30 20 CHED Cc1ccc(NCC#Cc2ccc(F)cc2)c(F)c1 433433436 LROMJDZENQJREB-UHFFFAOYSA-N 257.283 3.737 30 20 CHED CSc1ccc(CCNCc2cccc(C#N)c2)cc1 435724656 DEVAEGUGTRVWJL-UHFFFAOYSA-N 282.412 3.612 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl 430372281 RHNWEDSOFIPTKO-YGRLFVJLSA-N 262.740 3.586 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H](c2ccccc2)C1 431316506 WTQUWNVOMBAMLT-DLBZAZTESA-N 286.419 3.930 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2ccccc2C#N)C1 245759978 VLINTMZPNWRAHB-IMRBUKKESA-N 256.349 3.569 30 20 CHED Cc1ccnc(NCC2(c3cccc(F)c3)CC2)c1C#N 343481028 SINZDYPALRXHIX-UHFFFAOYSA-N 281.334 3.545 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCCSCC#N 245951907 LGJFLJIZJFKRTR-ILXRZTDVSA-N 268.470 3.684 30 20 CHED COc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 346093462 HXXBGLYGXQYNDD-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](C)c1ccccc1C 522504657 ANFWTPZYHYBVNE-HNNXBMFYSA-N 257.377 3.689 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1-n1nccc1C 439371678 PWAKZAPUYSVZCD-AWEZNQCLSA-N 298.390 3.657 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1OCC(F)F 439449103 IKFLQIXVFNQYKW-NSHDSACASA-N 298.333 3.807 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cc2Br)[C@H]1C 245539189 HLIIYGXXAQCCEV-QWRGUYRKSA-N 293.208 3.551 30 20 CHED C=CCC[C@@H](NC(=O)N[C@@H]1C[C@H]1CC)c1ccccc1 437550650 WKFOSYVRDUSFSY-FVQBIDKESA-N 272.392 3.792 30 20 CHED CCO[C@@H]1C[C@@H](N[C@H](C)c2cccc(C#N)c2)C12CCC2 245943059 VGJABTDXLCRMGD-KBRIMQKVSA-N 284.403 3.557 30 20 CHED C=CCCC[C@H](C)Nc1ncnc2oc(C)c(C)c12 342784840 WRAZYQKFZBLZPS-JTQLQIEISA-N 259.353 3.996 30 20 CHED C=CCCC[C@H](C)SCCCNc1ncccn1 341466562 LGTLKJUJXNFDSZ-ZDUSSCGKSA-N 265.426 3.757 30 20 CHED Cc1ccnc(N[C@@H](CCC#N)c2ccccc2)c1C#N 343502440 DTMMRKFRAOYDMT-INIZCTEOSA-N 276.343 3.719 30 20 CHED C=CC1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 522046341 GZOCOKKNZSAPBZ-UHFFFAOYSA-N 293.794 3.534 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(OCC=C(C)C)c1 525138678 MRMURTJKANHRCR-UHFFFAOYSA-N 285.387 3.846 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccnc(C2CC2)c1 340909509 GCIYFWHRSIWOPI-UHFFFAOYSA-N 292.382 3.787 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1CCCSCC#N 342156646 CFNRMAAQSYPGSA-ZIAGYGMSSA-N 254.443 3.534 30 20 CHED CCC(=O)c1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1 341488332 PTMKQTJXTQVTRD-UHFFFAOYSA-N 296.301 3.542 30 20 CHED C[C@H](CCC#N)CNC1CC(C)(c2ccccc2)C1 602536593 IDNONWHEHYMKCX-ODIFPOPNSA-N 256.393 3.636 30 20 CHED CC(C)Sc1ccc(C(=O)Nc2ccncc2C#N)cc1 344419617 GMPPQVMBAXTQPQ-UHFFFAOYSA-N 297.383 3.706 30 20 CHED C=CC[C@@H]1N(CCC2CCOCC2)CCCC1(C)C 433203562 CJXXAPSISQAXRA-INIZCTEOSA-N 265.441 3.870 30 20 CHED C[C@H](CNc1c(C#N)cccc1C#N)c1ccccc1 436275405 OTGRQFPXVZQKDO-CYBMUJFWSA-N 261.328 3.646 30 20 CHED COc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1C#N 255911857 AUHQJJXHPIQBES-AWNIVKPZSA-N 293.297 3.528 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCCC[C@H]1CC(C)C 607081023 UDPGHQZAGKIVSO-HOTGVXAUSA-N 281.440 3.785 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)CSC 609936044 JGEIIZHOLDEZNV-ZDUSSCGKSA-N 284.469 3.516 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 253374308 LXYKZANVVJTTDK-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C=CCN(Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 540055612 JDIXOBVPDSTUMX-UHFFFAOYSA-N 272.323 3.631 30 20 CHED C[C@H](CCC#N)CNC1[C@H]2CC[C@H]1Cc1ccccc1C2 602656365 SXILNUMZVXHAGN-JLSDUUJJSA-N 282.431 3.709 30 20 CHED C[C@@H](C#N)Cn1nc(C(F)(F)F)cc1-c1ccccc1 601932787 NKOIXLYGAAJSSO-JTQLQIEISA-N 279.265 3.729 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1cc(Cl)ccc1Cl 448662414 BNOWPTJPCGIAKC-ITMYJUKJSA-N 297.185 3.720 30 20 CHED CCc1cccc2c(CCNC[C@@H](C)CCC#N)c[nH]c12 602555032 GBJRWNWKKVGHTD-AWEZNQCLSA-N 283.419 3.802 30 20 CHED C[C@@H](CCC#N)CNCC#Cc1ccc(C(F)(F)F)cc1 602588529 NLQVXHIJHQFNKK-ZDUSSCGKSA-N 294.320 3.586 30 20 CHED Cc1ncc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)s1 601298550 BJKKVRHDXLCGKZ-BMIGLBTASA-N 283.400 3.661 30 20 CHED CC(C)(C#N)CCCCN[C@@H](CCO)C1CCCCC1 444684269 LDDWFHZSKHIQDZ-INIZCTEOSA-N 280.456 3.627 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(F)c(C)c1 356579597 UEJNXOUMBSSORY-QGZVFWFLSA-N 296.345 3.887 30 20 CHED CN(c1c(C#N)nnc2ccccc12)C1CCC(C)(C)CC1 446853637 RJAILOIKXQHSGT-UHFFFAOYSA-N 294.402 3.906 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc(OC(C)C)cc1 604546202 UJYGQJGHHPHMBK-QGZVFWFLSA-N 288.391 3.532 30 20 CHED Cc1ncc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)s1 601298552 BJKKVRHDXLCGKZ-MEBBXXQBSA-N 283.400 3.661 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H](C)c1ccco1 359234757 SOSJBCBLQZJSER-CYBMUJFWSA-N 288.395 3.768 30 20 CHED Cc1c(CNCC(C)(C)CCC#N)n(C)c2ccccc12 355123171 MXIIFDAJFPQSLL-UHFFFAOYSA-N 283.419 3.906 30 20 CHED C=C(CN[C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 442774518 ZFTZSENQSYHWHH-INIZCTEOSA-N 288.394 3.938 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccccc1CCC(F)(F)F 535449857 GKZDRKQBFFRJER-CQSZACIVSA-N 298.308 3.604 30 20 CHED Cn1c(CNc2ccc(C#N)cc2)nc2cccc(Cl)c21 355733555 BAXOZPNDTHDMTK-UHFFFAOYSA-N 296.761 3.710 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](CC(C)C)c1ccccc1 358058113 QFCUAARJQPLSFU-JKSUJKDBSA-N 272.392 3.625 30 20 CHED CC(C)CC(CC(C)C)C(=O)N(C)C1(C#N)CCC1 448783409 HHLZVWZHUGTYPU-UHFFFAOYSA-N 264.413 3.599 30 20 CHED C=C(C)CN(C)C(=O)c1nc(C)sc1-c1ccccc1 352643975 CKMUQJJRRLZHOB-UHFFFAOYSA-N 286.400 3.767 30 20 CHED C=CCC1(C(=O)Nc2ccc(COCC)cc2)CCC1 359420660 UMRDFXDSIDZAJI-UHFFFAOYSA-N 273.376 3.908 30 20 CHED CC[C@H](NCC1(OC)CCCCC1)c1ccc(C#N)cc1 447594788 IMPLNTRZQKHHDJ-KRWDZBQOSA-N 286.419 3.948 30 20 CHED CCSCc1cccc(NC(=O)[C@@](C)(C#N)CC)c1 353234282 XSPGRSXLCAOVNL-OAHLLOKOSA-N 276.405 3.818 30 20 CHED C[C@H](CC(F)(F)F)N[C@@H]1CCCc2cc(C#N)ccc21 613516457 QMDKMCZSVCJDNI-QMTHXVAHSA-N 282.309 3.866 30 20 CHED Cc1cc(N[C@H](C)CC#N)c(C(F)(F)F)cc1[N+](=O)[O-] 359876429 LNIYIAPXDKVQPG-MRVPVSSYSA-N 287.241 3.636 30 20 CHED C=CC(C)(C)CN[C@@H](CCOC)Cc1cccc(F)c1 449484655 IUMXMPBUHKHMES-INIZCTEOSA-N 279.399 3.575 30 20 CHED CSc1ccc(N(C)Cc2cc(C#N)cs2)cc1 355367323 OTIYUQQTUSXKBO-UHFFFAOYSA-N 274.414 3.978 30 20 CHED CC[C@H](NCC1(CN(C)C)CCCC1)c1ccc(C#N)cc1 447603309 XMARCFXJNRXVDE-SFHVURJKSA-N 299.462 3.721 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1ccccc1)c1ccc(F)cc1 538196099 WZASAEVTHDUISX-KXBFYZLASA-N 299.389 3.689 30 20 CHED C=C(CC)CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 536881743 PATXOMFWTZWIAZ-UHFFFAOYSA-N 298.430 3.509 30 20 CHED CC[C@H](C(=O)N[C@@H](C#N)CC(C)C)C1CCC(C)CC1 613113860 ANNXIVYJSMSIDV-FJBKBRRZSA-N 278.440 3.893 30 20 CHED N#Cc1ccccc1CN[C@@H](c1ccccc1)C(F)(F)F 533479698 LKAMINPUBRCMLD-HNNXBMFYSA-N 290.288 3.951 30 20 CHED COc1cc(CN2CCc3ccccc3[C@@H]2C)ccc1C#N 442886080 PWFSFYRQDXZYTO-AWEZNQCLSA-N 292.382 3.686 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@@H]1C 354083077 MYLCNCXYNTWCLE-JSGCOSHPSA-N 285.391 3.755 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](CO)c1c(F)cccc1F 449138596 CNOJAIOCNJROCZ-DOMZBBRYSA-N 283.362 3.723 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCC(C)(C)C1 538286386 ORMGDMFLLTZRDG-CHWSQXEVSA-N 252.402 3.609 30 20 CHED CCN(C(=O)C[C@@H]1C[C@@H]1C)c1ccc(C#N)c(Cl)c1 361960491 BDWVECRHBWOATD-JQWIXIFHSA-N 276.767 3.611 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(Cl)cc1)OCC 535126805 KPOROMNXOMPNCE-ZDUSSCGKSA-N 267.756 3.650 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@]2(CCSC2)C1 455001400 QKGDLXZBKIJMLX-MRXNPFEDSA-N 296.480 3.517 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCC(C)(C)CC#N 459252822 CYGZMZSBTKUNSU-KGLIPLIRSA-N 279.428 3.536 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NCCCC1(C#N)CCOCC1 459610800 KVRDAVFDDWWHCU-HZPDHXFCSA-N 278.440 3.645 30 20 CHED C=CCC(C)(C)CNC(=O)N(C1CC1)[C@H](C)C1CC1 458808750 JEECHIJXMPEDOL-GFCCVEGCSA-N 264.413 3.561 30 20 CHED C#CCCCC(=O)N1CC=C(c2ccccc2Cl)CC1 365405918 MFDUUVCWJMFRHW-UHFFFAOYSA-N 287.790 3.759 30 20 CHED CCOC1CC(CNc2ccc(CC#N)cc2Cl)C1 453119422 BLMRVMNAZWFZEU-UHFFFAOYSA-N 278.783 3.633 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(N(C)C(C)C)c1 454810233 NIUDXNOXBSONPB-UHFFFAOYSA-N 275.396 3.619 30 20 CHED Cc1ccccc1[C@H](N[C@H]1CC[C@H](C#N)C1)C1CC1 274631234 OWQBVMQEIZEASG-JLJPHGGASA-N 254.377 3.728 30 20 CHED N#CCCCC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 361936199 UMKAXDCRMOHMEP-CQSZACIVSA-N 297.358 3.575 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(C2CCCCC2)no1 279028269 PHHYIXBRBAQSCA-CHWSQXEVSA-N 262.353 3.566 30 20 CHED C=CCC1(C(=O)NCC2(CCOCC)CC2)CCCCC1 450201200 QCIVXHXSNFTLPG-UHFFFAOYSA-N 293.451 3.836 30 20 CHED CC[C@@H]1CCCN(c2ncc(Cl)c(C)c2C#N)C1 544069385 OORKQMWXXKSYNA-LLVKDONJSA-N 263.772 3.542 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@]2(CCSC2)C1 454812130 PMFPZDLDMRAFGM-ZBFHGGJFSA-N 296.480 3.660 30 20 CHED CC(C)CC[C@H]1CCCCN1Cc1cc(C#N)n(C)c1 361577834 MUPFDVDDJOKONN-MRXNPFEDSA-N 273.424 3.687 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc2ncsc2c1 454420845 CZFFYWYTRVCFRN-UHFFFAOYSA-N 275.377 3.630 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(Cl)c(C)c1 542470034 KKLNAIGKXAHPSR-ZDUSSCGKSA-N 280.799 3.802 30 20 CHED C=CC(C)(C)CNC(=O)N(CCC)CCc1cccs1 455382911 KAROQZXZNDCGGN-UHFFFAOYSA-N 294.464 3.924 30 20 CHED C[C@@H](CC(C)(C)C)NC1(c2cccc(C#N)c2)CC1 453172277 KLGDAOWETKBYEK-ZDUSSCGKSA-N 256.393 3.962 30 20 CHED CC(C)C[C@H]1C[C@H](Nc2ccc(C#N)cc2)CCO1 272012888 NHAROAPUVONTGG-CVEARBPZSA-N 258.365 3.564 30 20 CHED CC(C)c1nc(S[C@@H](C)C#N)c2ccccc2n1 278344581 MLMCTYWWQMTYCR-JTQLQIEISA-N 257.362 3.757 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@H]1C(C)C 466381724 CMYOZMAGFXFAGW-KBPBESRZSA-N 252.402 3.561 30 20 CHED C=CCCCc1nc(-c2ccc(OC3CCCC3)nc2)no1 545081502 NKNVHWSTNYFFMV-UHFFFAOYSA-N 299.374 3.962 30 20 CHED C=CCOCCCC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 463321498 SBVRYAVQLCKPFS-GJZGRUSLSA-N 281.440 3.690 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H]2C(C)C)c1C#N 544065975 FOUIRMHHZHZEHN-ZDUSSCGKSA-N 263.772 3.540 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCCCC12CCCC2 463546555 MEWLERYBNFBONH-CQSZACIVSA-N 264.413 3.707 30 20 CHED N#Cc1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)ccc1F 468285700 KKIQQUZAMULGTA-OAHLLOKOSA-N 298.336 3.826 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Oc1ccccc1C 467991841 CFRLISILZWIXOY-CRAIPNDOSA-N 289.419 3.871 30 20 CHED C[C@@H](C(=O)N(C)CC1CCCCC1)c1cccc(C#N)c1 461897807 YQIGHXPMKOAPKL-CQSZACIVSA-N 284.403 3.700 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@H]2CC)c1 465154276 AAVASENWYMBULO-CZUORRHYSA-N 288.391 3.952 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CCCSC1)c1ccccc1 288351915 LXYQYALMGRCDOJ-ZBFHGGJFSA-N 289.444 3.606 30 20 CHED C=CCC[C@@H](NCC1(SC)CC1)c1ccco1 287641006 UORVVESPGQLJSS-GFCCVEGCSA-N 251.395 3.772 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](CC2CC2)C1 555696753 DVRFQMIQCUYNGS-XJKSGUPXSA-N 254.377 3.741 30 20 CHED CCN(CC(C)(C)C)C(=O)[C@H](C)c1cccc(C#N)c1 463020241 LOIMPLLNDCZNGO-CYBMUJFWSA-N 272.392 3.556 30 20 CHED C=CC[C@H](CC)NCc1ccc(OCC(F)F)cc1 466379921 IBMJGYBXMXXWEK-ZDUSSCGKSA-N 269.335 3.775 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2cnn(CC)c2c1 281382399 NPKFZSLYVBTDAT-CYBMUJFWSA-N 286.379 3.532 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCc1cccc(Cl)c1 467929784 MSZJECMDEXIMGJ-INIZCTEOSA-N 279.811 3.991 30 20 CHED CCC(CC)(CC)CNC(=O)NCc1ccc(C#N)cc1 469185089 CBNITKSMYPUCEG-UHFFFAOYSA-N 287.407 3.574 30 20 CHED C=CC[C@H](CC)N[C@H]1CCC[C@H](CCCC(=O)OC)C1 551176076 TUWVTBZQOKLRDD-PMPSAXMXSA-N 281.440 3.833 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)NC2(C#N)CCC2)c1 285044016 JMCQCFVISMWDTQ-AWEZNQCLSA-N 284.403 3.551 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC(F)F)cc1F 282795943 PXJXVJLRHCCUMX-AWEZNQCLSA-N 287.281 3.968 30 20 CHED C[C@]12CCN(Cc3cccc(C#N)c3)C[C@H]1C2(Cl)Cl 283950369 ANJJYUWCRMZXDE-KGLIPLIRSA-N 295.213 3.574 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1cnc(C)s1 633460747 FVYFBUCBJFDOFH-LBPRGKRZSA-N 295.452 3.900 30 20 CHED N#Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)c2ccccc12 559010734 HPGWNJZHIOGURL-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1 292692348 NONJKFIPBAUJHF-UHFFFAOYSA-N 286.419 3.505 30 20 CHED C=CCOCCCN1CCc2cc(-c3ccccc3)oc2C1 470777832 BRDMFMPYIJBONL-UHFFFAOYSA-N 297.398 3.897 30 20 CHED C=CC1CCN(c2nnc([C@@H](C)CC)n2CC(=C)C)CC1 558989130 KFQQRJQXDURWGM-AWEZNQCLSA-N 288.439 3.770 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1nccnc1C1CCC1 807994709 VXQZHICHXRJLEV-LBPRGKRZSA-N 292.386 3.753 30 20 CHED N#C[C@@H]1CC[C@@H](SCc2c(F)cccc2F)C1 295340083 MYMQKNCTRYDPJD-NXEZZACHSA-N 253.317 3.890 30 20 CHED C=CCCCCNC(=O)[C@@H]1SCCc2sccc21 471689454 SRMNHASCPSWKGT-CYBMUJFWSA-N 281.446 3.551 30 20 CHED CC[C@@H](CN(CC)C(=O)CCCC#N)c1ccccc1 293414518 SVWZSCIORAIWLU-HNNXBMFYSA-N 272.392 3.723 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2nccnc2C2CCC2)C1 807991577 OQXQCROLXABMRK-VXGBXAGGSA-N 258.369 3.578 30 20 CHED C=CCn1c(SCC2=CCCC2)nnc1-c1ccccn1 647118846 OAAFBABRTUXZIA-UHFFFAOYSA-N 298.415 3.729 30 20 CHED Cc1ccccc1CCC(=O)Nc1ccccc1CC#N 569618144 ALKBLMFGCIDDON-UHFFFAOYSA-N 278.355 3.632 30 20 CHED CCSc1cccc(F)c1NC(=O)N[C@H](CC)CC#N 290058394 IBGKAKVGBDUMJA-SNVBAGLBSA-N 295.383 3.751 30 20 CHED CN(Cc1cc(Br)cs1)[C@H]1CC[C@@H](C#N)C1 293601895 VCLRVWMKNCVEFL-KOLCDFICSA-N 299.237 3.635 30 20 CHED C=CCN(C(=O)NC(C1CCC1)C1CCC1)C(C)C 807543358 FROCAICCDIPGOB-UHFFFAOYSA-N 264.413 3.561 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Cc1cncc2ccccc12 805677511 DAONXVKDZVISHX-CQSZACIVSA-N 283.371 3.923 30 20 CHED N#CCCCCCC(=O)OCCCc1cccc(F)c1 805698171 VKVJPCQUYVDURD-UHFFFAOYSA-N 277.339 3.776 30 20 CHED CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(C#N)c(C)c1 566223645 SXDSZUVOVCSQIF-QWHCGFSZSA-N 290.432 3.652 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2ccc(C#N)c(C#N)c2)CC1 568629675 IAZHYJQFMAENAQ-ZDUSSCGKSA-N 279.343 3.505 30 20 CHED CCCCCCCN1CC[C@H](n2cc(Cl)cn2)C1 810133259 GJHBVLLWNLXXHC-AWEZNQCLSA-N 269.820 3.754 30 20 CHED C=CCC(C)(C)CNCc1ccc(OCOCC)cc1 815141491 AQVFGOMLTFLHMB-UHFFFAOYSA-N 277.408 3.751 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(Cl)c1 810544974 MSANOHWMUUYBNV-UHFFFAOYSA-N 269.731 3.503 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OC(F)(F)F)cc1 814698975 DWVCFXOLUVWWBK-UHFFFAOYSA-N 295.207 3.735 30 20 CHED C#CCON=Cc1sc(Oc2ccccc2)nc1Cl 812233423 QUPVOFZLYMKGFQ-UHFFFAOYSA-N 292.747 3.573 30 20 CHED C=CC[C@H](Cc1ccccc1)NC[C@@H](O)c1ccc(F)cc1 819367788 JVYUKSDFCABHDF-RTBURBONSA-N 299.389 3.636 30 20 CHED COc1ccc([C@H](C)C(C)=NOC2CCC2)cc1OC 812236417 MCCXHOKMRTULHP-LLVKDONJSA-N 277.364 3.752 30 20 CHED Cc1nnsc1C=NNc1c(Cl)cccc1Cl 814223453 HVGPFAKVPCSUPP-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C=C1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 483389855 GAZFQSOQPYKJPT-UHFFFAOYSA-N 296.292 3.999 30 20 CHED CC(C)(C)c1ncc(C=NNc2ccc(Cl)cc2)cn1 814683899 VHQXTFMIKUVZRM-UHFFFAOYSA-N 288.782 3.874 30 20 CHED C=CCC1(NCc2cccc(C(F)(F)F)c2)CCOCC1 657632309 FNUHIOYXPFELMH-UHFFFAOYSA-N 299.336 3.920 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)s1)C[C@H](C)O2 484740294 RSJIIIFRWJNDFI-LBPRGKRZSA-N 284.384 3.716 30 20 CHED C=C(CC)CN[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 652206652 NOXLOUNKUZOBCC-AWEZNQCLSA-N 293.407 3.719 30 20 CHED Cc1cc(N2CCCC[C@H]2C)ccc1NCCC#N 575982275 ODUBWWXXWLSIFA-CQSZACIVSA-N 257.381 3.699 30 20 CHED CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NOC1CCC1 812237171 NTNJKBDKEMARQN-CYBMUJFWSA-N 296.411 3.721 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1cccc(C#N)c1 814787116 VZJUJAVHWALULD-UHFFFAOYSA-N 267.307 3.728 30 20 CHED C(=NOC1CCCCC1)c1nc2c(s1)CCCC2 814909989 NRPZTZSQYMXIDK-UHFFFAOYSA-N 264.394 3.705 30 20 CHED CC(=NOC/C=C\Cl)C1CCC(F)(F)CC1 811672465 ZNFXJEKNIXOQOG-XKCGPSLASA-N 251.704 3.957 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(CC)(CC)SC 819328645 HXUIORCLCJVWED-UHFFFAOYSA-N 257.443 3.627 30 20 CHED C=CCC(CC=C)C(=O)N(CCOC)C[C@H]1CC=CCC1 483024815 RSSSCCLFSSWZFC-INIZCTEOSA-N 291.435 3.586 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1C 650381123 OEFCHKJPEMEKCB-LSDHHAIUSA-N 257.377 3.569 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1cnc(-c2ccccc2)cn1 487732364 PBMYDMUWFYHIHJ-QAPCUYQASA-N 295.386 3.537 30 20 CHED CC1=CC(=NNc2nc3cc(F)c(F)cc3[nH]2)CCC1 727256340 VEQKFXJPRBLBFB-UHFFFAOYSA-N 276.290 3.739 30 20 CHED Clc1ccc(CNN=Cc2cccc3cc[nH]c23)cc1 814873025 IQLGFXQOOMZFRU-UHFFFAOYSA-N 283.762 3.945 30 20 CHED Cc1ccc2nc(CNc3ccc(C#N)cc3Cl)cn2c1 486589783 VRUIPGDZGKSDSH-UHFFFAOYSA-N 296.761 3.780 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc3oncc3c2)c1 814753525 PFTFELSNRBPTIS-UHFFFAOYSA-N 265.316 3.891 30 20 CHED N#CCCCOc1cccc(NC(=O)C2CC3(CCC3)C2)c1 570518150 SFJMNNGCOBRTLS-UHFFFAOYSA-N 298.386 3.888 30 20 CHED C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CCC#N)CC1 574449557 CTVOMVQMABIMAO-CYBMUJFWSA-N 287.363 3.672 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2cc(Cl)ccc21 573193022 QDJWKMLWITYTJK-OAHLLOKOSA-N 263.768 3.831 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2cccc3cnccc23)cc1 728432327 RBLGDXFPNJZZDC-UHFFFAOYSA-N 292.298 3.589 30 20 CHED CC(C)(C)CCCC(=O)OCc1cccc(C#N)c1 729026064 JWAMXKUIHQPJOI-UHFFFAOYSA-N 259.349 3.818 30 20 CHED C#CCOc1ccc(NC(=O)[C@@H](CC)CC(F)(F)F)cc1 823195600 DMSGNQJXGIUHRZ-NSHDSACASA-N 299.292 3.616 30 20 CHED C/C(=C\c1ccccc1)CN(C)CCCSCC#N 494232859 DDBKMUIMZUMUNX-FYWRMAATSA-N 274.433 3.669 30 20 CHED Cc1ccc(C)c(NC(=S)NN=C2CCC[C@@H]2C)c1 729140615 JYRHDDPCBOFGCK-NSHDSACASA-N 275.421 3.766 30 20 CHED CC(C)C#CC(=O)N[C@H](Cc1ccccc1)c1cccs1 828029732 MDTLJIXGXGHYPY-MRXNPFEDSA-N 297.423 3.808 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 668303911 XZVVPQPNHGXRCO-ZWKOTPCHSA-N 283.415 3.824 30 20 CHED C#CCCCCNCc1cc(OC)c2ccccc2c1 823990253 KCUJACUJZVWLSM-UHFFFAOYSA-N 267.372 3.742 30 20 CHED Cc1cccc(CN(C)C(=O)CCCCCC#N)c1C 589995918 FECHMNJEQCLEKN-UHFFFAOYSA-N 272.392 3.736 30 20 CHED O=C(/C=C\c1ccc2oncc2c1)c1cccc(F)c1 821022817 VIGJENGXFFIANO-XQRVVYSFSA-N 267.259 3.863 30 20 CHED C[C@H]1CCC[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)[C@@H]1C 728713285 XPUZBHZPVBISFV-LUXYFRNMSA-N 286.419 3.892 30 20 CHED C=CCC1(C(=O)OCC[C@@H]2CC2(Cl)Cl)CCC1 820549883 AEXLDSAURTUFSM-SNVBAGLBSA-N 277.191 3.860 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 581534773 TYSJGCGROZODJD-HUHSQHJXSA-N 296.414 3.604 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H]1CCc2ccccc2C1 490030415 LHOHYVMWLFSADJ-HNNXBMFYSA-N 285.431 3.900 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)CCCCCC#N)C1CC1 588923689 HRMDFHVNHXHSPU-KGLIPLIRSA-N 264.413 3.886 30 20 CHED C=CCCNC(=O)N(Cc1ccccc1)CC(C)(C)C 661571458 WAXWGMITMXKQNG-UHFFFAOYSA-N 274.408 3.820 30 20 CHED C=CCNC(=S)N1CCCCC[C@H]1c1cccc(C)c1 735423139 LKVGMASZYCKCJS-INIZCTEOSA-N 288.460 3.973 30 20 CHED C[C@H](C(=O)OCCCCC1(C#N)CCC1)C(F)(F)F 909034821 OCVIXELURYXMBT-SNVBAGLBSA-N 277.286 3.592 30 20 CHED CC(C)CC1(CNC(=O)CCCCCC#N)CCC1 588161523 RIXQUGDMROAOIJ-UHFFFAOYSA-N 264.413 3.793 30 20 CHED C#C[C@@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(C)C 836785447 PFOFRARLDOCVBJ-BXUZGUMPSA-N 297.320 3.740 30 20 CHED O=C(O)c1ccc(NN=C2CCC23CCCC3)cc1F 835009755 ZICKSDFFJOLPRV-UHFFFAOYSA-N 276.311 3.646 30 20 CHED C=CCN(C(=O)Nc1cc(Cl)ccc1C)[C@H](C)COC 664319598 NAOAYHYUAYQNCJ-GFCCVEGCSA-N 296.798 3.703 30 20 CHED C=CC[C@H](C(=O)Nc1nccn1C1CC1)c1ccccc1 839939004 HIWQUCOHVUFTFK-HNNXBMFYSA-N 281.359 3.516 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1scnc1C 742434626 LSJSCOBOCKTTSU-AATRIKPKSA-N 261.321 3.795 30 20 CHED Cc1csc(C(=O)O[C@H](C#N)C2CCCCC2)c1 835341235 HBZCXBGWBVELTA-GFCCVEGCSA-N 263.362 3.686 30 20 CHED CCC(=NNC(=S)Nc1cccc(OC)c1)C1CCC1 834922310 ODTFHNWHWRJPJU-UHFFFAOYSA-N 291.420 3.548 30 20 CHED C=CCCCCC(C)=NNc1ncccc1[N+](=O)[O-] 834960746 APGDKMFEJSANTO-UHFFFAOYSA-N 262.313 3.524 30 20 CHED C#CCN(C(=O)Nc1ccc2c(ccn2CCC)c1)C1CC1 836376123 AHIFITPRHIXYRL-UHFFFAOYSA-N 295.386 3.681 30 20 CHED CCN(C)c1ccc(/C=C/C(=O)c2csc(C)c2)cn1 834447792 SDCNFGCTJXYBFN-FNORWQNLSA-N 286.400 3.804 30 20 CHED Cc1ccc(CNC[C@H](C#N)CCC#N)c2ccccc12 591377314 FMAVSLLROJCQGJ-HNNXBMFYSA-N 277.371 3.681 30 20 CHED CCCC[C@@H](CC)C(=O)OCc1ccccc1C#N 919223554 YLNXWMMGDZWLTA-CYBMUJFWSA-N 259.349 3.818 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 741871696 ZATCYYIDHRKYLN-YQQAZPJKSA-N 298.455 3.923 30 20 CHED C=CCN(C(=O)Nc1ncc(C(C)(C)C)s1)C(C)C 743219225 CLRVOXXERGDNJC-UHFFFAOYSA-N 281.425 3.869 30 20 CHED C#CCCCNC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 743692561 JVLKCYDCRHGMDQ-INIZCTEOSA-N 286.419 3.877 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2F)[C@@H]1c1ccccc1 591141825 AUOHLXANAFYYFW-OAHLLOKOSA-N 281.334 3.680 30 20 CHED CC(CCO)=NNc1c(Cl)cc(Cl)cc1Cl 749853492 NPULOVFHNIAVHS-UHFFFAOYSA-N 281.570 3.817 30 20 CHED CCCC[C@@H](C)NC1CCN(Cc2cccc(C#N)c2)CC1 593703419 UTEKSNUHBULCIM-MRXNPFEDSA-N 299.462 3.691 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OCC=C(Cl)Cl 849821638 SDZYSDLIADKQBS-SNVBAGLBSA-N 298.169 3.599 30 20 CHED CCCCCCCC(=O)NC[C@H](O)c1ccccc1Cl 740929846 YBRSGWHOYOZPKD-HNNXBMFYSA-N 297.826 3.850 30 20 CHED C[C@@H](C(=O)OCCCSCC#N)c1ccc(Cl)cc1 845337500 SFHPVWYNNRMDPK-LLVKDONJSA-N 297.807 3.634 30 20 CHED C=C(C)CNC(=S)N(CC)c1cc(C)ccc1C 917594351 OLKVAAMFWXLQOL-UHFFFAOYSA-N 262.422 3.580 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ncnc2ccsc12 747764175 VFFQQMFRPLMHIB-JTQLQIEISA-N 274.393 3.915 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1CCC(c2ccccc2)CC1 594088566 JNLNDTFPSHGHPT-JCYILVPMSA-N 284.403 3.721 30 20 CHED Clc1cccnc1NN=Cc1ccc2ccccc2n1 741461141 FNTMJIUSLFGMAD-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CCC(C#N)(CC)C(=O)NCC[C@H]1CCCC[C@H]1C 599501612 SFOCSNHQIFDNOH-ZIAGYGMSSA-N 264.413 3.649 30 20 CHED N#CC1(CCOC(=O)[C@@H]2CC2(Cl)Cl)CCCCC1 840097069 DKOJXNCMBODBBS-JTQLQIEISA-N 290.190 3.588 30 20 CHED C[C@@H]1CC(NC(=O)CC2(C#N)CCCCC2)C[C@@H](C)C1 597284007 YQSMACLEOIONBX-KBPBESRZSA-N 276.424 3.791 30 20 CHED CCN(Cc1csc(-c2ccccc2F)n1)[C@H](C)C#N 595814667 WWUZEZQTJYTUGI-LLVKDONJSA-N 289.379 3.683 30 20 CHED COc1cccc(C(=O)/C=C\c2cnc3cccc(C)n23)c1 748994189 JTZFDTSFWYHZIN-KTKRTIGZSA-N 292.338 3.547 30 20 CHED CCCCCCCCN1CCC[C@@H](c2ncc[nH]2)C1 746454276 SNVKFUGHZPCHCW-OAHLLOKOSA-N 263.429 3.950 30 20 CHED N#CC1(C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1 746051395 TZNVGNOMJMKXBL-RBSFLKMASA-N 275.392 3.972 30 20 CHED CCC(C)(C)OCCN[C@H]1CCCc2cc(C#N)ccc21 590780401 NKEDGTMAGPFPSM-KRWDZBQOSA-N 286.419 3.730 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 596448106 UYEYGLKJMQXKMA-SNVBAGLBSA-N 295.745 3.637 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1 748146513 JCZUQTNIDIDOTM-SOFGYWHQSA-N 297.310 3.813 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(O)c(F)c1 681046735 QEVWKNXICSFCBQ-UHFFFAOYSA-N 291.366 3.740 30 20 CHED C[C@@H]1CC(NC(=O)N2CCC(CCC#N)CC2)C[C@@H](C)C1 591942065 GNNZGLOIDOZJFD-KBPBESRZSA-N 291.439 3.536 30 20 CHED CCN(CCCc1ccc(Cl)cc1)[C@@H](C)C#N 595814252 RPZPHECBMMZGGL-LBPRGKRZSA-N 250.773 3.507 30 20 CHED C[C@H](C=NNc1ccc([N+](=O)[O-])cn1)CCc1ccccc1 749158302 PDJUNGFGWZBMTO-ZDUSSCGKSA-N 298.346 3.656 30 20 CHED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1 596617490 DFDXLBOFZVXNLC-CQSZACIVSA-N 270.376 3.728 30 20 CHED CCC1(CC)CCCN(C[C@@H](O)CC(C)(C)C#N)CC1 598615704 LCFZKYGXUCUTBF-HNNXBMFYSA-N 280.456 3.579 30 20 CHED CCOc1cccc([C@H](C)/N=C\c2c(O)cccc2OC)c1 745013089 SQLOTGHUIMCVIO-QXGSTRBFSA-N 299.370 3.980 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Cc1ccc(F)cc1 744304337 MBYSTXDNCKIMCU-GFCCVEGCSA-N 250.313 3.514 30 20 CHED C=CCCSCCN[C@@H]1CCCc2nc(C)sc21 595059892 RDLTUYRATUGUNF-GFCCVEGCSA-N 282.478 3.728 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1ccco1 847671550 OJZJKKKFCZILPE-STQMWFEESA-N 283.327 3.634 30 20 CHED COc1cccc(/C=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1O 741845411 TXDFOXBXKUGYMH-UYVJIDMWSA-N 273.376 3.789 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1cccnc1 747635830 QYDOIXNCGRLZET-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CC1(CCC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 929933406 HMPYQDLPFQDUAT-UHFFFAOYSA-N 282.387 3.630 30 20 CHED CC(=O)CC(C)(C)CC(=O)Nc1ccc(Cl)c(C#N)c1 682679394 YIBKVRAPAHTRED-UHFFFAOYSA-N 292.766 3.546 30 20 CHED C#C[C@@H](NC(=O)CCCc1ccc(SC)cc1)C(C)C 843591442 YZRHQBFWKMDYRA-MRXNPFEDSA-N 289.444 3.505 30 20 CHED C#CCN(C(=O)Nc1ccc(SC(F)F)cc1)C(C)C 929088148 ILUJGZXHSCPFIY-UHFFFAOYSA-N 298.358 3.877 30 20 CHED CNC(=S)N(C)N=C1CCC(C2CCCCC2)CC1 841645843 IINFGGJMCAMFSG-UHFFFAOYSA-N 281.469 3.549 30 20 CHED C#CCCCC(=O)OCc1nc(-c2cccs2)oc1C 759173574 JNBLTWJVXBXJOP-UHFFFAOYSA-N 289.356 3.558 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)cc1 755588071 XMZNOYDCLOSUDM-FPYGCLRLSA-N 287.309 3.927 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)CCN3C)cc1 751525571 IRXREKGYDKIBFI-UXBLZVDNSA-N 277.367 3.883 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccc(C)cc2O)c1C 759652337 GPUIAIPJQLTHQI-CMDGGOBGSA-N 298.386 3.820 30 20 CHED C#C[C@@H](CC)NC(=O)C1(c2ccc(F)cc2)CCCCC1 754682577 KNLVWOHLIOOSHR-INIZCTEOSA-N 287.378 3.556 30 20 CHED COc1ccc(NN=Cc2c[nH]c3cc(C)ccc23)cc1 750923892 HHLGMUQAGXKOEE-UHFFFAOYSA-N 279.343 3.931 30 20 CHED N#CC1(CC(=O)OCc2ccncc2Cl)CCCCC1 851096119 HXIHZITYXYKCCT-UHFFFAOYSA-N 292.766 3.642 30 20 CHED C=CCCONC(=O)c1ccccc1SC(F)(F)F 856029909 IFHSXLZPVLRMLE-UHFFFAOYSA-N 291.294 3.536 30 20 CHED C#CC[C@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(C)C 752202371 MLXMLPHYTVZRKZ-SQVRQVGWSA-N 293.366 3.839 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)CCOc2ccccc21 759083050 GZUACQOPRCLDRO-CLFYSBASSA-N 291.759 3.845 30 20 CHED COc1ccc(Cl)c(N=Cc2c(O)cccc2OC)c1 920755289 IJFCCKWCSYELLX-UHFFFAOYSA-N 291.734 3.813 30 20 CHED CC(C)CCCCCCNC(=O)N1CCC[C@](C)(C#N)C1 753072870 WZUJYOONLGIGKU-QGZVFWFLSA-N 293.455 3.928 30 20 CHED CCCCCCCCNC(=O)[C@H]1COc2ccccc21 754853131 FAEAYKVRXCRXML-HNNXBMFYSA-N 275.392 3.639 30 20 CHED C1CC[C@H](ON=C2CC[C@H]3CCCC[C@H]3C2)OC1 755819516 VBESFIPJGZQMAR-IPYPFGDCSA-N 251.370 3.876 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(SC)cc1 858189944 VWGPFFOOYNTQGH-UHFFFAOYSA-N 263.362 3.644 30 20 CHED CCOc1ccc(C/N=C/c2cc(OCC)ccc2O)cc1 920387288 OTAWTPRKSCVTMC-CPNJWEJPSA-N 299.370 3.809 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc(C)c(OC)cc1C 753677379 DNQNPCWCKAAEJQ-LBPRGKRZSA-N 253.773 3.715 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)[C@H](C#N)C(=O)Nc2ccccc2)C1 750668411 SPUAFYBHKQFJSS-YCPHGPKFSA-N 298.386 3.550 30 20 CHED N#CCc1ccc(C(=O)Oc2cc(Cl)ccc2F)cc1 759876988 HASZXSVQBUNAOW-UHFFFAOYSA-N 289.693 3.764 30 20 CHED CCCc1ccc(C=NO[C@@H]2CCCCO2)s1 857211736 MXTQEGAXMRMQJC-CYBMUJFWSA-N 253.367 3.578 30 20 CHED C#CC[C@H](NC(=O)N[C@H](C)C[C@@H](C)CC)c1ccccc1 757034875 LIRMPIULBJQIOQ-UXLLHSPISA-N 286.419 3.875 30 20 CHED C#CCOc1ccccc1CNC[C@H](C)c1cccc(F)c1 921070313 UFMVFOKFDBHPPJ-HNNXBMFYSA-N 297.373 3.731 30 20 CHED C=C[C@@H](C)NC(=O)/C=C\c1cccc(OC2CCCC2)c1 757003266 AKQIOGHKRFGPRM-XMXAVACDSA-N 285.387 3.712 30 20 CHED C=CC[C@H](N[C@H]1CS[C@@H](C(C)C)C1)c1ccncc1 754124228 UHDUTAOZGGKGQZ-OWCLPIDISA-N 276.449 3.819 30 20 CHED C[C@@H](c1ccccc1)N(CCC#N)Cc1ccccc1O 757276919 OYACSJLGKBGHRJ-HNNXBMFYSA-N 280.371 3.869 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc(Cl)cs1 851207053 RUHWTEVXYYHJMX-MRVPVSSYSA-N 271.769 3.887 30 20 CHED CCCCCCCCCN1CC[C@H](C)[S@](=O)CC1 759871147 UKEZITGIJYBHJC-MAUKXSAKSA-N 273.486 3.580 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1cc(C#N)cs1)O2 759119009 YNHSRFNAZREGIH-UUASQNMZSA-N 281.336 3.853 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)Cc1csc(C)n1 851142539 SPTFTUSFJUDNCZ-JSGCOSHPSA-N 279.405 3.672 30 20 CHED CN(C(=O)Nc1sccc1C#N)[C@@H]1CCC(C)(C)C1 931836638 DNXPQEGLFOHCQA-LLVKDONJSA-N 277.393 3.662 30 20 CHED CCC(C)(C)CCN1CCO[C@@H](c2cccc(C#N)c2)C1 761764525 BFUPZXFBEILKHW-QGZVFWFLSA-N 286.419 3.758 30 20 CHED C[C@H]1CC(=NNc2c(F)cccc2Cl)CN1C1CC1 769826315 DOPICHVJQKGTFS-VIFPVBQESA-N 281.762 3.504 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(-c2nncs2)cc1 935779438 YUGBJLITNMOVLO-LLVKDONJSA-N 287.388 3.746 30 20 CHED COc1cccc(O)c1C=Nc1ccc(C#N)cc1Cl 767688068 JFWRAGZUMKYEEV-UHFFFAOYSA-N 286.718 3.676 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)O[C@@H](C#N)C1CC1 860577136 HUGDIXWSQPETLB-INIZCTEOSA-N 281.311 3.714 30 20 CHED CC#CCNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 762704214 JIYYUMUZKOYODN-NTCAYCPXSA-N 299.370 3.567 30 20 CHED CC(=NNc1cccc(Cl)c1)c1sccc1O 769764508 ZORPWSAJZJEOFG-UHFFFAOYSA-N 266.753 3.943 30 20 CHED CO[C@]1(C)CCCN(CCCCC2(C#N)CCC2)CC1 930285782 JVLJCVYIHZZWKJ-MRXNPFEDSA-N 278.440 3.742 30 20 CHED C=C(C)C(C)(C)c1nnc(CCOc2ccccc2)o1 1118429522 GRCABNHJBSUKLS-UHFFFAOYSA-N 272.348 3.545 30 20 CHED COc1cc(OC(=O)c2ccc(SC)cc2)ccc1C#N 767166046 AZLKLELMPVAINI-UHFFFAOYSA-N 299.351 3.508 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1ccnc(C)n1 1116761098 SMOHBUGHSHDHFH-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cccc(C)c1O 775657520 CMTXYHRDMAEMKS-UHFFFAOYSA-N 297.398 3.897 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1c(C)cc(OC)c(C)c1C 879569488 QIDODCWUWASBJP-KRWDZBQOSA-N 288.391 3.544 30 20 CHED C#CCCCCCC(=O)N(C)c1nc2ccccc2s1 779772629 WFOUNBUUMDPRBG-UHFFFAOYSA-N 286.400 3.843 30 20 CHED CCCCCCCC[C@@H](O)CCC(=O)N1CC[C@@H](C)C1 774040940 PXFKUBKEOMZVKB-HZPDHXFCSA-N 283.456 3.747 30 20 CHED C=CCCCC(=O)N(C)c1ccc(C#N)c(Cl)c1 876167083 KIWWJKFWOCXFDY-UHFFFAOYSA-N 262.740 3.531 30 20 CHED CC(C)(C)Oc1ccc(CCNc2cccc(C#N)n2)cc1 1116353112 FPZKHDOKGOIEDA-UHFFFAOYSA-N 295.386 3.785 30 20 CHED N#Cc1cc(Cl)nc(-n2nc(C3CC3)cc2C2CC2)c1 871953922 AGCRENCLXAGKDW-UHFFFAOYSA-N 284.750 3.547 30 20 CHED CS[C@@H](C)CCC(=O)O[C@H](C)c1ccc(C#N)cc1 773789997 ZHAQQPMMDIPWQJ-NWDGAFQWSA-N 277.389 3.694 30 20 CHED C#CCCCCCC(=O)Nc1nccnc1-c1ccccc1 875723612 YEENZXDMUFZIMJ-UHFFFAOYSA-N 293.370 3.666 30 20 CHED C=C(CC)COC(=O)Cc1c[nH]c2cc(C)ccc12 773501228 PPDPGZFNQRETLZ-UHFFFAOYSA-N 257.333 3.528 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1ccc(CC#N)cc1 1126375212 LNFHJSWBAUMDFE-DVOMOZLQSA-N 271.360 3.734 30 20 CHED O=C(O)c1cccc(NN=Cc2cc(F)cc(Cl)c2)c1 776722889 YPQLRDJAGCFIFN-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1 770389761 XCCSZOMBBRLYDI-CXAGYDPISA-N 295.398 3.724 30 20 CHED C#CCCCCC(=O)N(Cc1ccccc1C)C1CC1 773231525 CYDQTGGFLOUTKD-UHFFFAOYSA-N 269.388 3.680 30 20 CHED C=CCC[C@H](NC(=O)/C=C\SC)c1ccccc1 772169114 FKBHBSPDYKNTCP-NYHXXUGCSA-N 261.390 3.687 30 20 CHED CC(C)c1ccccc1OCC(=O)OCCC(C)(C)C#N 776361942 LARGMFXRAXWZJV-UHFFFAOYSA-N 289.375 3.672 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(C)nc(C)c1 1120872032 ITKCYMQBGPBHDZ-UHFFFAOYSA-N 286.400 3.588 30 20 CHED C=C1CCC(C(=O)N(C)Cc2ccc(OC)c(C)c2)CC1 888803546 BHSAPXJBTNUPKS-UHFFFAOYSA-N 287.403 3.708 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2F)C1 888354098 QNCRBEGMXGBKFO-DGCLKSJQSA-N 289.354 3.740 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1cc(C#N)ccc1F 1124383768 RVGSGDLAMQDQAV-UHFFFAOYSA-N 288.709 3.912 30 20 CHED COc1cc(C=NN[C@@H]2CCCC2(C)C)cc(Cl)c1O 782302304 TWDHJLRKJGOVTN-CYBMUJFWSA-N 296.798 3.556 30 20 CHED COc1c(C)cc(C(=O)OCC2(C#N)CCCC2)cc1C 780529875 DWFRRNJUXMHYAA-UHFFFAOYSA-N 287.359 3.553 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCC[C@H]2SCC)CC1 889350696 JSVMLUZNECMCLX-ZIAGYGMSSA-N 267.438 3.523 30 20 CHED Cn1c([C@H](C#N)C(=O)[C@H]2CCC(C)(C)C2)nc2ccccc21 781752171 VIFBGDJDSQIPHR-QWHCGFSZSA-N 295.386 3.576 30 20 CHED O=C1/C(=C\c2coc3ccccc23)Cc2cc(O)ccc21 780188560 NFJIOQNFLOXBMG-WQLSENKSSA-N 276.291 3.961 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 787682582 YPCCLVDUCDPSPQ-QMMMGPOBSA-N 273.163 3.502 30 20 CHED C#CCC1(C(=O)N2CCCc3ccccc3C2)CCCCC1 788206432 IXQRUBDGYJLCTE-UHFFFAOYSA-N 295.426 3.935 30 20 CHED COc1ccc(Cl)cc1C=NNCCC(C)(C)C 782907154 JMKGKOLJRVMKAL-UHFFFAOYSA-N 268.788 3.708 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NN[C@@H]1CCOC(C)(C)C1 780252169 WXYXGMNBZXNELE-MGPQQGTHSA-N 266.429 3.736 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccccc1[N+](=O)[O-] 783772585 MVLZJPQKJVHMIY-NWDGAFQWSA-N 261.325 3.819 30 20 CHED CC(C)c1ccccc1CNc1cccc(CC#N)n1 782414736 ZMFDSCUJGSXMIJ-UHFFFAOYSA-N 265.360 3.883 30 20 CHED C=CCCN(C)C(=O)/C=C\c1cc(C)c(C)cc1C 786671589 QOYOYUVBWNURHH-HJWRWDBZSA-N 257.377 3.660 30 20 CHED C#CCC1(C(=O)N[C@H]2CCC[C@@H]2SCC)CCCCC1 788514225 GOGLTXCQTKNMTR-GJZGRUSLSA-N 293.476 3.751 30 20 CHED Cc1cc(C)c(C=NNc2ccnc(F)c2)cc1C 781133969 YNFAZMSFVDGOQB-UHFFFAOYSA-N 257.312 3.592 30 20 CHED C#CCNC(=O)[C@@H](C)S[C@H](C)c1ccc(C(C)C)cc1 783906277 HOKQGSUGXWPNNF-ZIAGYGMSSA-N 289.444 3.742 30 20 CHED Cc1cc(F)ncc1CN(Cc1ccc(C#N)cc1)C1CC1 891596028 IRANSZRPXLIKQB-UHFFFAOYSA-N 295.361 3.565 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(-c2cnco2)cc1 898063909 QCVHMJYSIZOQMB-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C=CCC[C@@H](NC1CCC(C)(O)CC1)c1ccco1 796796183 BLKOSCWGCIVREC-NPCAHTBFSA-N 263.381 3.570 30 20 CHED Cc1c(C#N)cccc1NCc1c(O)ccc(Cl)c1F 792173903 LNNVOWAQBRBHCY-UHFFFAOYSA-N 290.725 3.977 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1CCCCC 791066627 DPDOMAHDEMMIOE-GJZGRUSLSA-N 264.413 3.543 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2CC=CCC2)s1 797570378 GKIOKBGBPSGPAN-VXGBXAGGSA-N 288.416 3.973 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)CCc2ccc(O)cc21 794959944 GTBPNEWSLWMICG-LFYBBSHMSA-N 286.277 3.883 30 20 CHED N#Cc1cc(NC(=O)C=C2CCC2)ccc1OC(F)(F)F 799446014 DIDHMTQFEWTYPI-UHFFFAOYSA-N 296.248 3.506 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2cccnc2Cl)cc1 792919288 DXXPXRCXXOFHCR-UHFFFAOYSA-N 299.761 3.788 30 20 CHED CC[C@H](C)CON=C(C)c1ccc(Br)cn1 793158057 DBGGBWZINKNJKM-VIFPVBQESA-N 285.185 3.631 30 20 CHED N#C[C@H]1CCCN(CCCc2ccc(Cl)cc2)C1 1207596149 PJVNAAXVLIFFMG-CQSZACIVSA-N 262.784 3.508 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1ccnc(C2CC2)c1 799444178 MJKNVQSFIUWOFL-UHFFFAOYSA-N 292.338 3.612 30 20 CHED FCC[C@@H]1CCCC1=NNc1ncnc2ccsc12 794920524 MSBHWXGCIGDNJB-VIFPVBQESA-N 278.356 3.619 30 20 CHED N#CCOC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 792714807 LBPVWDQBXUPAHT-UHFFFAOYSA-N 297.276 3.584 30 20 CHED CCc1oc2ccccc2c1C=NOC[C@@H]1CCCO1 795203603 QWEFUVYZPVDCEJ-LBPRGKRZSA-N 273.332 3.525 30 20 CHED C#CCCCCCC(=O)N1CCc2cc(Cl)ccc2C1 790983674 UJXSADDASMWHKY-UHFFFAOYSA-N 289.806 3.808 30 20 CHED Fc1ccc(NN=C2CCCC23CCOCC3)c(F)c1 799864837 SJTGSSLBBPHBAS-UHFFFAOYSA-N 280.318 3.713 30 20 CHED CC(COC(C)C)=NNc1ccc(OC(F)F)cc1 799877544 AMFLSTIVJLMFRZ-UHFFFAOYSA-N 272.295 3.501 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 661380885 QRALCZORRSGKFV-OAHLLOKOSA-N 273.424 3.786 30 20 CHED COc1cccc(Cl)c1CN[C@H](C)CC(C)(C)C#N 695835939 JYFDZVWVJDEQTD-LLVKDONJSA-N 280.799 3.767 30 20 CHED Cc1ccc(Cl)cc1OCCOc1ccc(C#N)cc1 88729866 NNKQRPUYJYOFSD-UHFFFAOYSA-N 287.746 3.978 30 20 CHED CCCCCCCN1CCC([C@H]2CCOC2)CC1 784340576 GRWSPUJJOMVQMR-INIZCTEOSA-N 253.430 3.705 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1Nc1ncc(C#N)cc1F 1162674913 BQESJVRBVOUERS-HWPZZCPQSA-N 299.324 3.967 30 20 CHED N#Cc1ccc(SCC(=O)CCc2ccccc2)cc1 1165547597 XIPJKJVLWBSCDE-UHFFFAOYSA-N 281.380 3.852 30 20 CHED Cc1cc(N2CCC[C@H](Cc3ccccc3)C2)ncc1C#N 1166563833 VYTPDAFZCOJUMH-QGZVFWFLSA-N 291.398 3.721 30 20 CHED C=CCN(C(=S)Nc1cccc(F)c1F)C(C)C 1319654369 DCYBPYJNQFFQAZ-UHFFFAOYSA-N 270.348 3.558 30 20 CHED Cc1ccc(C)c2c1OCCC2=NN[C@H](C)c1ccncc1 1325905104 WSNSUPWGDAMTIN-CQSZACIVSA-N 295.386 3.536 30 20 CHED N#Cc1ccnc(CSc2ccc3ccccc3n2)c1 1643448660 IBDLAPVBDTVVMJ-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNc1cc(C#N)nc(CC)n1 1186704514 ARTNTZFKHFXDKY-ZIAGYGMSSA-N 286.423 3.929 30 20 CHED N#CCOc1ccc(NCCSCc2ccccc2)cc1 1339733131 OXRGGZIDSFPCQU-UHFFFAOYSA-N 298.411 3.934 30 20 CHED COc1cc(NN=Cc2cccn2C2CC2)ccc1Cl 1261277593 DUSFWTCTXSAVKD-UHFFFAOYSA-N 289.766 3.931 30 20 CHED Cc1cnc(/C=C2/COc3c(C)ccc(C)c3C2=O)s1 1347925772 BQDJSOJMLFRESK-SDQBBNPISA-N 285.368 3.727 30 20 CHED C=C(C)CN(CC)c1nnc([C@@H](C)OC(C)(C)C)n1CC 1342683630 TZSHXXGSJXUSTC-CYBMUJFWSA-N 294.443 3.577 30 20 CHED C=C(CC)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 1348442960 HJQHZJJHRZJYBE-UHFFFAOYSA-N 283.371 3.773 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2F)C1 1435530748 MRIKTGGYFJMMGB-AWEZNQCLSA-N 288.366 3.596 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(C#N)oc2C)c1 1358045447 VFFLYDFTQLQKTJ-GFCCVEGCSA-N 282.343 3.568 30 20 CHED CCCC(CCC)C(=O)Nc1cnc(Cl)cc1C#N 1354952359 GKBDTJQEETWDCW-UHFFFAOYSA-N 279.771 3.762 30 20 CHED C=C(CC)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 1520147071 WRZOTTOUAIQPQO-DZGCQCFKSA-N 261.340 3.544 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1ccc(C#N)cc1 1527768686 NHNBOJZZYGHARC-TYNCELHUSA-N 257.333 3.540 30 20 CHED C=C(C)CCC(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1520068373 HAUPBXCIUNZFDM-SNVBAGLBSA-N 287.750 3.749 30 20 CHED C=CCN(c1ccccc1)[C@@H](C)c1ncc(C(=O)O)s1 1602894500 GYWKTQVAVJNVMA-NSHDSACASA-N 288.372 3.595 30 20 CHED C=CCCc1ccccc1NCc1cc(C(=O)O)co1 1609345990 VAYGUYFQKSLLRP-UHFFFAOYSA-N 271.316 3.709 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2cc(C#N)c(F)cc2F)C1 1535867185 CKSCVWSYPFRIIH-ZJUUUORDSA-N 278.302 3.601 30 20 CHED CN(c1ncccc1C#N)[C@H]1CCC[C@H]1c1ccccc1 1472802927 OGCLRVPCUKWDTA-IRXDYDNUSA-N 277.371 3.726 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)CC1 227309049 RSPJSOJSYXFCBX-IUODEOHRSA-N 260.356 3.756 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)n2C)c2ccccc2c1 1543743096 JLYIFRFKAOGCLI-UHFFFAOYSA-N 289.338 3.611 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc(Cl)c(F)c1 1541001854 UTBZVOFYJUFMTB-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1ccc(Cl)cc1C(=O)N(C)c1ccc(C#N)cc1 228448921 MEIPKUVMPJPREC-UHFFFAOYSA-N 284.746 3.797 30 20 CHED N#Cc1ccc(Oc2cccc(NC(=O)CCF)c2)cc1 1627499507 FRFQTMKJIRYXJS-UHFFFAOYSA-N 284.290 3.649 30 20 CHED C=C(Cl)CNC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 1634028780 WUBXYYLWANYCQX-UHFFFAOYSA-N 290.794 3.948 30 20 CHED N#Cc1cnc(N[C@@H]2CCSc3ccccc32)c(F)c1 1641990536 LNEBWAFDYWRPHQ-CYBMUJFWSA-N 285.347 3.741 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1F)c1cc(F)ccc1F 1642292549 RMEWBRJLOTVYHW-AWEZNQCLSA-N 291.276 3.934 30 20 CHED Cc1ccccc1CCN(C)c1nc(C)c(C#N)cc1Cl 1651883803 GBIXYNQJKAEWMF-UHFFFAOYSA-N 299.805 3.902 30 20 CHED C=CC[C@H](Sc1ccc(C(C)C)cc1)C(=O)O 1588759106 PIHKBRKBORFEDW-ZDUSSCGKSA-N 250.363 3.931 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1c1cc(C)c(C#N)cn1 1651699019 MVRBLPLPXZKFPH-IUODEOHRSA-N 257.381 3.667 30 20 CHED Cc1ccc(-c2cccc(CNc3n[nH]cc3C#N)c2)cc1 1657931418 XAFWIPBZCKYSAQ-UHFFFAOYSA-N 288.354 3.869 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1cc(C)ns1 1776783073 VCUSTHPXKPFBBC-ZDUSSCGKSA-N 298.452 3.745 30 20 CHED CC1(C)CCC/C(=C\c2ccc(/C=C/C(=O)O)cc2)C1=O 1776548608 PBSJNJTWPVTLHV-MKQCFFQWSA-N 284.355 3.947 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@H]2CC3CCC2CC3)C1 1776153394 JBDRJXGAYRXYBF-AJTLQJAISA-N 291.435 3.556 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNc1ccc(CC(=O)O)cc1 1776084871 UIAZUCAMJIRXCN-TZMCWYRMSA-N 288.391 3.928 30 20 CHED Cc1ccnc(N[C@H](C)CCc2ccccc2)c1C#N 135072121 IZWKQTPAXNMKLW-CQSZACIVSA-N 265.360 3.695 30 20 CHED N#Cc1ccc(OC(=O)Cc2cccc3ccccc23)cc1 5576868 ZJECGLSKSLSNMW-UHFFFAOYSA-N 287.318 3.860 30 20 CHED CC(=O)Nc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1 19885841 NAACLBHVXHOUPR-GFCCVEGCSA-N 279.343 3.690 30 20 CHED CCCOc1cc(C)ccc1CNCc1ccc(C#N)cc1 153600581 ZHELDMLCEPELFP-UHFFFAOYSA-N 294.398 3.945 30 20 CHED CC#CCCSc1nnc(-c2ccccc2C)o1 155047222 UGIBULMRJUHSLE-UHFFFAOYSA-N 258.346 3.551 30 20 CHED COc1cccc(/C=N/[C@@H]2CCc3c(OC)cccc32)c1O 159847125 BJGWRWPZQVNQFZ-SKCQWOFPSA-N 297.354 3.516 30 20 CHED N#Cc1ccc(COc2ccc(F)cc2C=O)c(Cl)c1 236199779 NVMRVTUKYHHPJF-UHFFFAOYSA-N 289.693 3.742 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@@H]3CCCC[C@H]3C2)c1 250910947 XPJUEDMOBIDFJA-GJZGRUSLSA-N 272.367 3.709 30 20 CHED CCOc1ccc(CNc2cccc(F)c2C#N)cc1 36138569 YYBXJGHBJHIPOL-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C[C@@H](NCc1ccc(F)cc1F)c1cccc(C#N)c1 51016959 KLBYXBQDTPYHTE-LLVKDONJSA-N 272.298 3.687 30 20 CHED C=CC[C@H](CC)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 463246461 CVJHTJMUTDONOL-NEWSRXKRSA-N 286.463 3.984 30 20 CHED FC(F)C(F)(F)CNCC1CCC(C(F)(F)F)CC1 191776138 YDBXAWGAGZINRJ-UHFFFAOYSA-N 295.242 3.845 30 20 CHED COc1ccc(F)cc1CNc1cc(C)cc(C#N)c1 308120465 GRAMJSAHVMPHCV-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCCN[C@@H]1CCc2sc(Br)cc21 308704240 WEMRRURNJMDEJP-SECBINFHSA-N 272.211 3.664 30 20 CHED C[C@@H](CNCc1ccc(C#N)c(F)c1)c1ccccc1 404248706 IPPRNYQDXXOSLF-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H]1CCSC1 475286097 IPPQJPOWPMLQDM-MRXNPFEDSA-N 261.434 3.818 30 20 CHED N#Cc1cc(F)cc(OC[C@@H]2CCCC2(F)F)c1 381696256 OEKPTTHSPFFSPB-JTQLQIEISA-N 255.239 3.512 30 20 CHED C[C@H]1CN(Cc2ccc(F)c(C#N)c2)c2ccccc21 398503596 IYCBVVYSAVKZSZ-LBPRGKRZSA-N 266.319 3.821 30 20 CHED CC[C@H]1C[C@H](C)CN1c1nc(C)c(C#N)cc1Cl 399561692 LUYRXYQEJGMLMM-CABZTGNLSA-N 263.772 3.540 30 20 CHED CCOc1ccc(C(C)=O)cc1COc1ccc(C#N)cc1 7890279 SIXPVCVWAWFHLX-UHFFFAOYSA-N 295.338 3.739 30 20 CHED CCCCCCCCCC(=O)N(C)C[C@H](C)C#N 109476455 GLKPGLZTCRBOKL-CQSZACIVSA-N 252.402 3.745 30 20 CHED C=CCN(CCCCCOC)Cc1ccccc1F 103226839 WDRQVCAJQSXIAX-UHFFFAOYSA-N 265.372 3.630 30 20 CHED CCCc1nc(CO/N=C/c2ccc(F)cc2)cs1 101540156 HTNLCBPOENICLN-LZYBPNLTSA-N 278.352 3.785 30 20 CHED C[C@H]1CN(Cc2ccccc2C#N)C[C@H](c2ccsc2)O1 177197408 IEGGXFXSGXVMFU-SUMWQHHRSA-N 298.411 3.582 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(CC#N)c2)C1 171514535 UFHMBMMCPSIDOC-RDJZCZTQSA-N 284.403 3.697 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc(F)cc1Cl 52027912 WXPWBDFZHKBXOU-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=CCCCC(=O)N1CCC(c2nc3ccccc3o2)CC1 175092794 XEYMXLTWHYQNMM-UHFFFAOYSA-N 298.386 3.890 30 20 CHED Cc1cccc(C(C)(C)NCc2ccccc2C#N)c1 179092813 VXMIWQDFKFVVCG-UHFFFAOYSA-N 264.372 3.892 30 20 CHED C=CC[C@H](C)NCc1nc(-c2ccccc2)cs1 116926763 RRPOUSXRQJEBNW-LBPRGKRZSA-N 258.390 3.864 30 20 CHED CCCCCCCCCc1nc(-c2cnccn2)no1 177015293 MLBZARQOJDUAKB-UHFFFAOYSA-N 274.368 3.820 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1 112775608 BAQPTPKNJLDLFH-HUUCEWRRSA-N 298.292 3.579 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 408409012 ZHKTYGMWQFVKJF-GJZGRUSLSA-N 288.391 3.794 30 20 CHED CCC[C@H](C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 113175605 RMCNIHFDHCZSTR-SMDDNHRTSA-N 278.783 3.847 30 20 CHED C=CC1CCN(c2ncccc2C(F)(F)F)CC1 110595240 XJTCRVNGHSFRFK-UHFFFAOYSA-N 256.271 3.503 30 20 CHED C=C(C)CN(CC)Cc1nc(-c2ccc(CC)cc2)no1 61758732 SAZFDNKCZUGENO-UHFFFAOYSA-N 285.391 3.697 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ccc(Cl)nc1 310936365 UYWATKNBZVJFBE-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CC(C)=CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 68458094 OJDFDAIMSAHLKY-GFCCVEGCSA-N 283.158 3.640 30 20 CHED COc1ccc(CCNc2c(Cl)cccc2C#N)cc1 303474127 NNRNSPYRIWHEIJ-UHFFFAOYSA-N 286.762 3.875 30 20 CHED C=CCCCCCCNCc1cc(F)ccc1O 310777093 OBTYBIPONRJCBB-UHFFFAOYSA-N 251.345 3.757 30 20 CHED C#CCOc1ccc(CNCc2ccc(CC)s2)cc1 113322025 LZOUBLUVKXTZDE-UHFFFAOYSA-N 285.412 3.612 30 20 CHED CN/C(=N/CCCCCCC(C)C)NCc1ccco1 303387920 BMOYAXWKTAXIOU-UHFFFAOYSA-N 279.428 3.551 30 20 CHED CC(C)[C@H](C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 113178740 VPNSPYBJMNBSJP-RISCZKNCSA-N 278.783 3.703 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(c2ncccc2C#N)C2CC2)o1 301230294 AIIRWMQKYWFROW-MLGOLLRUSA-N 293.370 3.839 30 20 CHED CCc1nnc(N2CCC3(CCCC3)CC2)c(C#N)c1CC 301611768 DZILFSJRHKVYNN-UHFFFAOYSA-N 298.434 3.634 30 20 CHED Cc1ccc(N/C(N)=N/CC2(c3ccc(F)cc3)CC2)cc1 303878774 JHQTZNMXZCNYOL-UHFFFAOYSA-N 297.377 3.593 30 20 CHED C=C(CC)C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 1345987198 UFWXGEWIRNRXNK-UKRRQHHQSA-N 275.417 3.658 30 20 CHED Cc1ccc(C#N)cc1NCc1nc(C2CCCC2)no1 178973480 FREBTWCDWMSDSW-UHFFFAOYSA-N 282.347 3.519 30 20 CHED C=CCCSc1nnc(NC2CCCCC2)s1 303837836 SANHGHYCHHERPT-UHFFFAOYSA-N 269.439 3.951 30 20 CHED Cc1c(C#N)cccc1NC(=O)Cc1cccc(Cl)c1 178380417 LVRFMEGWQAUEJY-UHFFFAOYSA-N 284.746 3.701 30 20 CHED N#CCC1(COC(=O)c2cccc(Cl)c2Cl)CC1 174740769 HRXIJIISWGWWPE-UHFFFAOYSA-N 284.142 3.844 30 20 CHED C=CCC[C@@H](C(=O)NCCCCC#N)c1ccccc1 187598472 ZFFKHOZJDBUWJY-MRXNPFEDSA-N 270.376 3.546 30 20 CHED Cc1cc(C)c(C(=O)N2CCCC(C)(C)[C@H]2C#N)s1 601533037 IAGFYLNOJVZFCF-GFCCVEGCSA-N 276.405 3.519 30 20 CHED N#CCC[C@@H](NCc1cc(O)cc(F)c1)c1ccccc1 185604459 KURMWFUYBNDTRR-QGZVFWFLSA-N 284.334 3.666 30 20 CHED C=CC1CCN(Cc2csc([C@H](C)OCC)n2)CC1 120786064 CYLIOSDYLLOWGX-LBPRGKRZSA-N 280.437 3.639 30 20 CHED N#Cc1ccc(N[C@@H](c2ccccc2)c2nccs2)nc1 301217235 ZUCFURQKUOSBMI-HNNXBMFYSA-N 292.367 3.611 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cc(Cl)ccc2C)n1 125903305 ZJFMVFRJFRHTJG-GFCCVEGCSA-N 290.775 3.903 30 20 CHED CC1=C(C)CN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 409642433 WEAQFTJBTNEFMW-UHFFFAOYSA-N 281.281 3.519 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(OC)c(OC)c2)c1 33395682 BRUPFIAANJWNTN-CLFYSBASSA-N 298.338 3.609 30 20 CHED C=C(C)CN(C)C(=O)C[C@@H](CC)c1ccc(C)cc1 180399560 IBYGNOUULRTTGB-OAHLLOKOSA-N 259.393 3.913 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 181555855 FDAZAFVRVZSRCI-INIZCTEOSA-N 296.414 3.940 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@@H](C)c1ccccn1 180202999 WYLSHTNYTYIOMB-STQMWFEESA-N 267.332 3.546 30 20 CHED CCC[C@H](C)CC(=O)Nc1cc(C#N)ccc1OC(F)F 76193722 BYVPVBQFPDLHSS-JTQLQIEISA-N 296.317 3.924 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1ccc(F)cc1OCC#N 120324876 ACHPXHYSQHJNPZ-GFCCVEGCSA-N 292.354 3.739 30 20 CHED C[C@H](C#N)Oc1ccccc1NCC#Cc1ccc(F)cc1 182570798 WCIZWTFSYUBJOS-CQSZACIVSA-N 294.329 3.580 30 20 CHED Cc1coc(SCc2ccc(Cl)cc2C#N)n1 188346121 GRSFMISQYULNSJ-UHFFFAOYSA-N 264.737 3.800 30 20 CHED C=C(Br)CN(C1CC1)[C@@H](C)c1ccco1 127792531 UKRDMRTTZUCJHW-JTQLQIEISA-N 270.170 3.714 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C)c(Oc2ccncc2)c1 180437360 VRJRKVYLEQTCAP-UHFFFAOYSA-N 296.370 3.830 30 20 CHED C=CCSc1nnc(NCCc2cccs2)s1 73125635 CVJXCRGSZFKXNK-UHFFFAOYSA-N 283.447 3.532 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(C#N)ccc1F 441470563 XEXGJTCMSKWHTM-SUYBPPKGSA-N 272.367 3.850 30 20 CHED C[C@H](CNc1ncccc1C#N)Sc1ccccc1 78505639 LVHLISBYHSJHBC-GFCCVEGCSA-N 269.373 3.546 30 20 CHED C[C@H](NCCCC#N)c1ccc(OCC(F)(F)F)cc1 180974282 FWBOCBWVJFQFDB-NSHDSACASA-N 286.297 3.582 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 506973647 UKXMLOQTGOBWSO-ZETCQYMHSA-N 290.697 3.637 30 20 CHED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 185829210 VBHRWLAZAPLIEJ-CJNGLKHVSA-N 274.383 3.775 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1cc(C)sc1C 79336198 AERNWPUUUJDYCX-GFCCVEGCSA-N 278.421 3.810 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)CCC(C)C 70745925 VOVPMWOSJFOMFY-UHFFFAOYSA-N 281.739 3.562 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 180948427 XJXALLOUYUOYEU-ZIAGYGMSSA-N 269.392 3.796 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(F)cc2C#N)C1 133778252 WHCHXTUNAFNVBM-SMDDNHRTSA-N 289.354 3.740 30 20 CHED CCn1c(-c2ccc(OC)c(C#N)c2)nc2ccc(F)cc21 502773878 MAAFPCDCMOIEIO-UHFFFAOYSA-N 295.317 3.743 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1N1CCCCC1 181502563 ZUNACEZZCABMAO-UHFFFAOYSA-N 287.407 3.717 30 20 CHED N#CCCCN[C@@H](c1cccc(Cl)c1)c1ccccn1 133786095 JIWUQMLLWNBTRL-INIZCTEOSA-N 285.778 3.718 30 20 CHED Cc1ccc(NC(=O)c2cccc(F)c2C#N)cc1C 189375792 VSPVEHQXRCYOOO-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC[C@H](CC#N)NC(=O)c1cccc(Oc2ccccc2)c1 183888418 LXFKYZGPAAEPJE-OAHLLOKOSA-N 294.354 3.901 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Oc1cccc(C(C)C)c1 410181205 PPQHXDKDWCNUNL-HNNXBMFYSA-N 287.403 3.778 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 181133844 ZJAZBVBZSIGJMD-ZJUUUORDSA-N 280.334 3.617 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)C[C@H]2CCCC(O)=N2)CC1 329681145 YCSWEXXZOJCDML-FRRDWIJNSA-N 266.385 3.811 30 20 CHED CC(C)c1nnc2ccc(N=C(O)[C@H]3CC[C@H](C)C3)cn12 329991924 KCECHNNBMTVEKU-RYUDHWBXSA-N 286.379 3.877 30 20 CHED C=CCn1c(SCC[C@H](C)F)nnc1-c1ccoc1C 505427587 NINHECPXMCPPIF-JTQLQIEISA-N 295.383 3.873 30 20 CHED N#CCc1cccc(C(=O)Oc2cc(F)ccc2Cl)c1 194303005 YJEHYLKUZJCTOX-UHFFFAOYSA-N 289.693 3.764 30 20 CHED COc1ccc([C@H](C)NCCc2cccc(C#N)c2)c(C)c1 414122804 AZYXXODDYPVUCH-HNNXBMFYSA-N 294.398 3.769 30 20 CHED CC(C)CCN(C(=O)c1ccc(C#N)cc1)C1CCCC1 83946155 KZVICVFRJJXFAK-UHFFFAOYSA-N 284.403 3.989 30 20 CHED CCN(Cc1coc(-c2ccc(C)cc2)n1)C[C@H](C)C#N 509773035 MYMAURPJFUXHQA-CQSZACIVSA-N 283.375 3.632 30 20 CHED CCc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)o1 133968088 OBCOLFSFFHHRFA-MRXNPFEDSA-N 298.386 3.813 30 20 CHED OC(C[C@@H]1CCOC1)=Nc1cccc(N=C(O)C2CC2)c1 329862261 YMEWNXVBFRZJMF-NSHDSACASA-N 288.347 3.699 30 20 CHED C#CCCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 192117695 WVOUXEIMAHCXEP-HNNXBMFYSA-N 299.414 3.626 30 20 CHED C=CCCC(=O)CSc1ccc(C#N)cc1Cl 134817123 KHLJBUNBDPMWBW-UHFFFAOYSA-N 265.765 3.839 30 20 CHED C=CCC[C@@H](NC(=O)CCc1ccccn1)c1ccccc1 133908453 VHKARCIKVONEOU-GOSISDBHSA-N 294.398 3.838 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(COC)cc2)no1 424337458 LNKYQGYZIICZSI-UHFFFAOYSA-N 272.348 3.737 30 20 CHED CC[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)CCS1 613426223 QDQKYZKTDVXFLG-ZDUSSCGKSA-N 289.448 3.583 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1ccccc1SC 192467453 OOFKKIKELLJYMR-UHFFFAOYSA-N 299.351 3.508 30 20 CHED C[C@@H](NCc1cccc2c1CCCN2)c1ccc(C#N)cc1 423414765 NYNUCPQWSAMVMU-CQSZACIVSA-N 291.398 3.767 30 20 CHED C[C@@H](OC(=O)c1ccc(-n2cccc2)cc1)C(C)(C)C#N 131035876 JNEKPKBZYHHTBR-CYBMUJFWSA-N 282.343 3.572 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 44809391 DSXJCDLVUVSMIC-CYBMUJFWSA-N 280.327 3.967 30 20 CHED N#CCc1ccc(NC(=O)Cc2ccc(Cl)s2)cc1 193285266 CQLZDXQZPUXDHV-UHFFFAOYSA-N 290.775 3.649 30 20 CHED Cc1cc(/C(O)=N/C[C@H]2CC=CCC2)c2n[nH]cc2c1 328721541 WWZFPFNEVVYLON-LBPRGKRZSA-N 269.348 3.532 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1cc2ccccc2o1 45438546 JLJHVHZFPDEXTA-LLVKDONJSA-N 263.300 3.873 30 20 CHED CCCC[C@@H](CCC)NC(=O)NCc1ccc(C#N)s1 420800171 JHWFCONDGLGSFL-GFCCVEGCSA-N 293.436 3.778 30 20 CHED N#Cc1cccc(C#N)c1N1CCC[C@@H](CC(F)(F)F)C1 335570710 WBKDVJNKFBIGLC-NSHDSACASA-N 293.292 3.599 30 20 CHED C=CC[C@@H](C(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 426573544 NHLYZTZQBNATHI-HLLBOEOZSA-N 271.404 3.851 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 335844729 SNZJFVGGTLPZHP-SCLBCKFNSA-N 277.371 3.681 30 20 CHED C=C(CN[C@H]1CCc2ccc(OC)cc2C1)c1ccccc1 513505573 LABISIXHDQKHRX-IBGZPJMESA-N 293.410 3.856 30 20 CHED Cc1nc(COc2ccc(C#N)cc2C)c(C)s1 533572912 OLSDIDAYIUNEBS-UHFFFAOYSA-N 258.346 3.519 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccsc1 336001936 KBLPYDYWGZHVDD-NSHDSACASA-N 270.357 3.670 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)C1CC1 331880153 PRTFKWHMYKLKRJ-MLGOLLRUSA-N 284.403 3.711 30 20 CHED Cc1cc(N/C(O)=N/C[C@@]2(C)CCOC2)cc(C)c1Cl 331286590 YLNVFXPVZYOQND-OAHLLOKOSA-N 296.798 3.709 30 20 CHED CN(C(=O)[C@]1(C#N)CC12CCCC2)c1ccc2cc[nH]c2c1 333744917 WNGURGBOJFNZLN-GOSISDBHSA-N 293.370 3.605 30 20 CHED C=CC1CCN(C(=O)c2cc(C(C)C)c(O)cc2C)CC1 436542359 BGDUYSCOBOJTEV-UHFFFAOYSA-N 287.403 3.862 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 337632106 WETWJFWWLQHGAP-CJNGLKHVSA-N 270.376 3.584 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H](c2ccccc2)C1 431467528 YRLBPGGCJRJMSK-KRWDZBQOSA-N 286.419 3.932 30 20 CHED C=CCC1(C(=O)N(C)Cc2sccc2C)CCC1 338750368 LFKVDKBZHGCTPB-UHFFFAOYSA-N 263.406 3.761 30 20 CHED CC[C@H](N[C@@H]1C[C@]1(C)OC(C)C)c1ccc(C#N)cc1 528003768 CJJIDPQMKURBNT-BBWFWOEESA-N 272.392 3.555 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCc2cc(F)ccc21 436309431 RROBHWVQNZCVSU-JLSDUUJJSA-N 289.394 3.774 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)CCC2 521542665 XXGLTVIXLXVTRQ-IRWQIABSSA-N 296.414 3.853 30 20 CHED CC(C)(CCC#N)CNCc1cccc(OC(C)(C)C)n1 348342637 BMSRLFDZCJZIRI-UHFFFAOYSA-N 289.423 3.678 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(-c2nc(C)co2)c1 341646868 KROOVAKZCMVNOH-UHFFFAOYSA-N 285.347 3.690 30 20 CHED CC(C)CN(Cc1nnc(C(C)C)o1)c1ccc(C#N)cc1 341806993 HWQSWVDOIBKAMN-UHFFFAOYSA-N 298.390 3.727 30 20 CHED N#CCCCNC(=O)CCCc1ccc(Cl)c(Cl)c1 342654829 NQFNPSBCKPLVJW-UHFFFAOYSA-N 299.201 3.736 30 20 CHED N#Cc1cccc(Oc2cnc3ccc(Cl)cc3c2)n1 343072871 GDQLOMSXLVBQJN-UHFFFAOYSA-N 281.702 3.947 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1C[C@@H]1Cc1ccccc1 432091497 FWXRTUBGTVJMSY-HOTGVXAUSA-N 286.419 3.519 30 20 CHED Cc1ccc(CCCNC[C@@H](C)CCC#N)c(C)c1 602501247 DLLSSTVUEUDFTD-HNNXBMFYSA-N 258.409 3.766 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccccc1C)C(C)C 522635215 AMLJKGGLZRTKDT-ZBFHGGJFSA-N 274.408 3.956 30 20 CHED C=C(C)CN(CC)C(=O)NCCCc1ccc(Cl)cc1 522846933 VMEBDZPSPFHANX-UHFFFAOYSA-N 294.826 3.880 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 439375743 JGNVCZHVMSYJOX-LBPRGKRZSA-N 291.351 3.688 30 20 CHED N#CCC1(CNC(=O)N[C@H](c2ccccc2)C2CCC2)CC1 430570533 YUOCKEPLMORBMN-MRXNPFEDSA-N 297.402 3.521 30 20 CHED C=CCCOCC(=O)N1CCCc2cc(Cl)cc(C)c21 605095258 PFQUOJOPSGHHFK-UHFFFAOYSA-N 293.794 3.520 30 20 CHED CC[C@@H](C#N)N[C@@H](COc1ccccc1F)C(C)(C)C 435919790 BLWXOJDOYJRJGT-WFASDCNBSA-N 278.371 3.511 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C\c3cccnc3C)c2c1 255429248 UEELUUUDKSKDSJ-YVMONPNESA-N 292.338 3.776 30 20 CHED O=C(/C=C\c1c(F)cccc1Cl)c1ccncc1 255868345 NGOZWPPVKSLFMN-PLNGDYQASA-N 261.683 3.770 30 20 CHED CCOc1cccc([C@@H]2C[C@@H]2Nc2nc(C)ccc2C#N)c1 342816663 JBYGJKYUJKNOFF-IRXDYDNUSA-N 293.370 3.628 30 20 CHED C=CCC(C)(C)C(=O)Nc1sc(CC)nc1C 347529751 ZTZPWCUZPPVDQG-UHFFFAOYSA-N 252.383 3.555 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)c(C)n2)n1 341177635 UTCSBKDIXXOGLL-TZMCWYRMSA-N 296.374 3.996 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc(-c2ccccc2)oc1C 602354430 JVIVUPWUWXAYQS-CQSZACIVSA-N 282.343 3.629 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(OC)cc2OC)o1 255870980 NODUMKNXHCVDJV-TWGQIWQCSA-N 286.327 3.755 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C#N)s2)cc(OC)c1 255443101 ZMDPREQUWBEGDB-HYXAFXHYSA-N 299.351 3.533 30 20 CHED N#Cc1csc(C(=O)N(CC(F)F)c2ccccc2)c1 346640126 JOAOJIUZQHUDDF-UHFFFAOYSA-N 292.310 3.532 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 609345668 JMHZRGWRUKLRHA-FHLIZLRMSA-N 292.382 3.752 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(C)n2C)CCCC1(C)C 347443277 MQFYXVLPLPYXJN-HNNXBMFYSA-N 274.408 3.540 30 20 CHED Cn1ccnc1[C@H](N[C@@H](CCC#N)c1ccccc1)C1CC1 602581798 KYWQQJWSHOTBGN-DLBZAZTESA-N 294.402 3.506 30 20 CHED CCC(CC)CN(CCC#N)Cc1cn(C(C)C)nc1C 343525971 YADDIVPJRRZFRZ-UHFFFAOYSA-N 290.455 3.924 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc3nccn13)CC2 255711004 GEIIHWIMPIEGFH-NTCAYCPXSA-N 288.350 3.855 30 20 CHED C[C@H]1C[C@@H](CCNC(=O)NCCCCC#N)CC(C)(C)C1 444109349 MBBCFFLQEOWRLE-LSDHHAIUSA-N 293.455 3.832 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C)C(C)(C)C1 442901929 PIWGPTIQWXZCSU-KBPBESRZSA-N 256.393 3.987 30 20 CHED COc1ccc(S[C@H](C#N)Cc2ccccc2)cc1 603452542 WVYOXIBNBIKEHD-INIZCTEOSA-N 269.369 3.922 30 20 CHED CC1=Nc2ccccc2C12CCN([C@H](C)CCC#N)CC2 602863374 NCHKZOGUVKKPCG-CQSZACIVSA-N 281.403 3.818 30 20 CHED CSc1ccccc1-c1cn([C@@H]2CC[C@H](C#N)C2)nn1 600974229 XARXUOOSNBXGSZ-NWDGAFQWSA-N 284.388 3.532 30 20 CHED CC(C)[C@H](CC(F)(F)F)N[C@@H]1CCC[C@@H](C#N)C1 446814864 ZWIOBWPOZOPTEX-UTUOFQBUSA-N 262.319 3.635 30 20 CHED C[C@]1(C/N=C\c2cc(Cl)cc(Cl)c2O)CCCO1 254948922 PYWILTQUEADYTK-YSTIZTGUSA-N 288.174 3.687 30 20 CHED COC(=O)c1c(F)cccc1N[C@H](C)c1cccc(C#N)c1 600847461 SUXOPKGGJABGMA-LLVKDONJSA-N 298.317 3.657 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2cc(C)ccc2n1 351623968 LEVHNDCNYIYTLZ-HNNXBMFYSA-N 280.371 3.724 30 20 CHED CCc1ccc(C2CCN(C(=O)CC(C)(C)C#N)CC2)cc1 600681955 LAUZEWAFJNKZCZ-UHFFFAOYSA-N 298.430 3.895 30 20 CHED CCc1cc2c(N[C@@H]3CC[C@H](C#N)C3)nc(C)nc2s1 603395008 GBCXQYLSFKDPHB-WDEREUQCSA-N 286.404 3.666 30 20 CHED C=CC[C@H]1N(C(=O)NCc2ccoc2)CCCC1(C)C 444977268 BYPRUTJQEYEGIF-CQSZACIVSA-N 276.380 3.556 30 20 CHED CN(CC#Cc1cccc(Cl)c1)C(C1CC1)C1CC1 533463106 NQVSUQNSDREQAK-UHFFFAOYSA-N 273.807 3.812 30 20 CHED C=C(C)COc1ccc(NC(=O)c2cccnc2)cc1C 442081138 IUWMDZVKPBFYGZ-UHFFFAOYSA-N 282.343 3.597 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccncc1Oc1ccccc1 442719816 XDPBHFRGRZGTSI-CYBMUJFWSA-N 282.343 3.568 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 539666098 JERUKRYTVVLCMZ-JYJNAYRXSA-N 296.455 3.624 30 20 CHED CCC[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612236287 GCEPIWMMTVLPQI-AEFFLSMTSA-N 284.403 3.723 30 20 CHED CC(C)(C)OC1CC(Nc2cccc(CC#N)c2)C1 449700169 PSCOMLPHQJWPMJ-UHFFFAOYSA-N 258.365 3.511 30 20 CHED C=CCOCCCSCc1noc(-c2ccsc2)n1 359109973 VMDNJMIABMCORY-UHFFFAOYSA-N 296.417 3.624 30 20 CHED C=CCCC1(C(=O)N(C)Cc2cccc3[nH]ccc23)CC1 357147976 OVJXGTORYIXELN-UHFFFAOYSA-N 282.387 3.873 30 20 CHED C=CCN(C(=O)NC[C@@]1(C)CCCc2ccccc21)C1CC1 538215833 NLVDQSJUWSREIO-LJQANCHMSA-N 298.430 3.641 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(CC#N)c1 265646394 VUHWVLGMWGONFB-RHSMWYFYSA-N 284.403 3.793 30 20 CHED CCc1ccc([C@H](Nc2nccc(C#N)n2)C(C)C)cc1 450225945 IPXZSRDPHIKWKH-MRXNPFEDSA-N 280.375 3.720 30 20 CHED CC(C)(C#N)CCCCn1c(C(F)(F)F)csc1=O 618144402 ZATWGEJYIKVBSN-UHFFFAOYSA-N 292.326 3.649 30 20 CHED C=CCC[C@@H](NCCc1cc(C)ccc1OC)C1CC1 532677784 VIDGJICKAVJTOQ-QGZVFWFLSA-N 273.420 3.881 30 20 CHED CC(C)(C)CCCCC(=O)NCc1ccc(C#N)c(F)c1 456833161 IDAQGCKIOOUKPR-UHFFFAOYSA-N 290.382 3.920 30 20 CHED C[C@H](C#N)CN(C)Cc1c(Cl)cccc1OC(F)F 611260873 SOVDKLRBSHFAGL-SECBINFHSA-N 288.725 3.533 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)c1cc2ccccc2n1CC#N 611326520 JUMUUZSURHJDOQ-DZGCQCFKSA-N 295.386 3.568 30 20 CHED C=CCC1(C(=O)N2CC[C@@H]2Cc2ccccc2)CCCC1 450030631 XNNXCFZUNWSXNT-QGZVFWFLSA-N 283.415 3.967 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)CCC(C)(C)C 272718522 SPLIQAAGVBXSEW-LBPRGKRZSA-N 274.364 3.742 30 20 CHED C=CCCc1noc([C@H](C)Cn2ccc3ccccc32)n1 453241167 VQDBQNOLQJWCJU-CYBMUJFWSA-N 281.359 3.947 30 20 CHED COCc1ccc([C@H]2CCCN2C[C@@H](C)CCC#N)o1 619568587 BRWVZEVCMIDVLG-DZGCQCFKSA-N 276.380 3.503 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](c1ccccc1)c1cnn(C)c1 369911981 YXSZWLZSUJBPSM-RLFYNMQTSA-N 283.419 3.700 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccccc2C)no1)OCC 270020802 IURVICNOSRUXQG-AWEZNQCLSA-N 272.348 3.569 30 20 CHED COCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C)o1 272068515 BOWPYLFUKFZGEF-WMLDXEAASA-N 298.386 3.888 30 20 CHED C=CCC[C@H](C)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 544602576 MZMHLNHLIDTWAJ-FZMZJTMJSA-N 287.325 3.683 30 20 CHED N#Cc1cc(F)c(NC[C@@H]2CCOC3(CCC3)C2)c(F)c1 450710388 BKCFPUZQGLUREG-LLVKDONJSA-N 292.329 3.598 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OC(C)C)cc1F 454631608 AMGDCVQQPVXXOA-UHFFFAOYSA-N 294.370 3.947 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cccc(Cl)c1 620861154 DGNQSUOZLPKIBT-UHFFFAOYSA-N 265.784 3.744 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CCOC)c1ccc(C)o1 272392973 ZPMPGNIHWOIAQD-OAHLLOKOSA-N 291.391 3.550 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(C)(C)C1 549302508 XISQINFQXPAGDM-UHFFFAOYSA-N 296.418 3.758 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)c2ccccc21 466384054 QQRMZCRVQXYHKS-STQMWFEESA-N 258.365 3.674 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2cccc(C)c2)C1 274358606 VCGABLLVZVUPNQ-QGZVFWFLSA-N 269.388 3.505 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC(C(C)C)CC1 549666709 AKOKUGDYUNMJGA-UHFFFAOYSA-N 290.455 3.850 30 20 CHED C=CCCOCC(=O)N[C@H](c1ccc(CC)cc1)C(C)C 620224187 ZTNMQGZGOFVQJX-SFHVURJKSA-N 289.419 3.655 30 20 CHED c1ccc(COc2cncc(CON=C3CCC3)c2)cc1 278346700 YXSJJJKYFHRZHW-UHFFFAOYSA-N 282.343 3.717 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@]2(C)C[C@@H]3C[C@@H]3C2)cc1 549684994 BHYWWEAZODJRKO-MCBXIFIFSA-N 282.387 3.862 30 20 CHED C=CCC[C@H](CC)Nc1cccc2c1CCN2C(C)=O 545985467 AQSWEVBVTKRZGA-AWEZNQCLSA-N 272.392 3.752 30 20 CHED Cc1ccc(C)c(Cc2noc(-c3ccc(C#N)s3)n2)c1 545610010 YWUDZFMYEYFIAX-UHFFFAOYSA-N 295.367 3.877 30 20 CHED C=CCC[C@@H](C)N[C@H](Cn1ccccc1=O)c1ccccc1 282505651 OGJWOMDBFMJBQZ-SJLPKXTDSA-N 296.414 3.534 30 20 CHED C=CC[C@H](CC)NC1CCC(C(=O)OC(C)(C)C)CC1 467405793 HKCIUCCJVNBQDY-SLTAFYQDSA-N 281.440 3.831 30 20 CHED CC#CCSCc1csc(-c2ccc(C)o2)n1 464090132 FFSXHICDTZHYQF-UHFFFAOYSA-N 263.387 3.968 30 20 CHED CN(Cc1c(F)cccc1F)c1ccc(C#N)cc1F 555223569 DKHWREATTPGJMS-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 377236774 GLMIZJVHESCHSF-LGHUBQEGSA-N 281.399 3.884 30 20 CHED C=C(CNC(=O)N1CCC[C@H]1c1ccc[nH]1)c1ccccc1 288068381 QNLUYLSWFRZPRD-KRWDZBQOSA-N 295.386 3.575 30 20 CHED C[C@@H]1N(c2ccc(Cl)cc2C#N)CCC12CCOCC2 374935661 ZGGLVBLXSYZGDC-LBPRGKRZSA-N 290.794 3.607 30 20 CHED C=CCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 553921001 VTELZTJVBPXFSC-NSHDSACASA-N 257.299 3.754 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cnn(C(C)(C)C)c1C 281612596 NCKLUOVDWNNBKJ-TZMCWYRMSA-N 263.429 3.952 30 20 CHED C=C(C)CCc1noc(-c2cnc3c(cnn3C(C)C)c2)n1 285061303 IJNYEOWCKKHCOL-UHFFFAOYSA-N 297.362 3.571 30 20 CHED C=CCCN(C)C(=O)CCOc1cc(C)ccc1C(C)C 467084777 ZPVNDOVCRYEPTF-UHFFFAOYSA-N 289.419 3.922 30 20 CHED N#Cc1nc(N2CC[C@H](CC3CC3)C2)ccc1C(F)(F)F 558988487 LCDWFYDUAQFSKC-LLVKDONJSA-N 295.308 3.598 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C2CCCCC2)C1 296499925 PYKQVHSXOZKQQF-UHFFFAOYSA-N 297.402 3.911 30 20 CHED CCCC[C@@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 800273490 FIFCXLICIJGWCO-CHWSQXEVSA-N 259.349 3.989 30 20 CHED Cc1ccc(NC(=O)c2cscc2C#N)c2c1NCCC2 551981515 URUSQWVOSZEWRL-UHFFFAOYSA-N 297.383 3.539 30 20 CHED Cc1ccccc1CCC(=O)N[C@](C)(C#N)C1CCCCC1 550350114 LCPGCALRFMBTIC-LJQANCHMSA-N 298.430 3.906 30 20 CHED CN(CCCOc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C#N)C1 556105157 RSTUYFUXLXLPPY-UKRRQHHQSA-N 292.810 3.733 30 20 CHED CC[C@@H](C)CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 479937838 DKOQVJQCILBFED-OAHLLOKOSA-N 286.419 3.979 30 20 CHED Cc1ccnc(N2[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]2C)c1C#N 294954786 MWLBBAWDMLIRLE-TUAOUCFPSA-N 297.324 3.817 30 20 CHED C[C@H]1CCCC[C@H]1OCCN1CCC(CCC#N)CC1 563069157 UMGSQZKYBLOODS-DOTOQJQBSA-N 278.440 3.597 30 20 CHED C=CCCOc1ccc(-c2ncc3n2CCCC3)cc1 569230594 RUHBCNXIXVHPLP-UHFFFAOYSA-N 268.360 3.841 30 20 CHED C=CCCCC(=O)Nc1nc2c(C)cccc2s1 479510469 IWHNAADRCXOGJM-UHFFFAOYSA-N 260.362 3.900 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 293395279 PKNOUVHYOPOHMO-GOSISDBHSA-N 283.415 3.759 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C(F)=C2CCCC2)cc1 809257770 JWARFBLPQJMCGM-OAHLLOKOSA-N 286.350 3.727 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C#N)cn2)o1 562442401 RIVPIMBYXSXQBO-GUYCJALGSA-N 295.386 3.828 30 20 CHED N#CCCCCCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 805844557 LJZDMMVSYXDWFK-HNNXBMFYSA-N 291.354 3.885 30 20 CHED C[C@H](CCC#N)N1CCCn2c(cc3ccccc32)C1 298528372 MAGJBWUIFMCABK-CQSZACIVSA-N 267.376 3.539 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCc2c1cccc2[N+](=O)[O-] 568236640 QQXUKDHVLRNZBW-RISCZKNCSA-N 260.337 3.526 30 20 CHED CC(C)[C@@H](NCCO[C@@H](C)C#N)c1ccc(Cl)cc1F 801939017 OPICSSRNPYWILW-XHDPSFHLSA-N 298.789 3.694 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 562925618 QCODFGAIDZQMLS-DZJNRPSUSA-N 296.414 3.708 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 567370232 GEESNFNPRRKTNO-XLQHLMKVSA-N 268.404 3.960 30 20 CHED CCc1c(C(C)=NN[C@H]2CCSC2)oc2ccccc12 808004401 NVXHURMKXYXPRB-LBPRGKRZSA-N 288.416 3.814 30 20 CHED C[C@H]1Sc2ccccc2N(Cc2ccc(C#N)cn2)[C@@H]1C 563349233 FOPJIWXFAXCENW-CHWSQXEVSA-N 295.411 3.843 30 20 CHED CCCCCCCSCc1ccc(OC)nn1 800798424 AYUYCHMGBPOTEL-UHFFFAOYSA-N 254.399 3.689 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N(CC)CCC 567651992 OGSYAOBIPDINHA-UHFFFAOYSA-N 284.407 3.676 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 642003746 JIFFOUBTQIEBLG-JKIFEVAISA-N 287.403 3.806 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](F)C2)cc1Cl 564902522 UGNUKHGGKANBMP-MNOVXSKESA-N 295.745 3.614 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 483912711 ONBHWAROQZZYCK-SWLSCSKDSA-N 276.767 3.832 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCOc1cccc(C)c1C 488868708 ZQWLDPQINQAVPY-MRXNPFEDSA-N 287.403 3.639 30 20 CHED C=CCCCCCCCNc1ncc([N+](=O)[O-])cc1C#N 811848267 WTABFCTWHIGRQG-UHFFFAOYSA-N 288.351 3.800 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)N1CCC(CCC#N)CC1 564653149 PFRVRECWKSAIDF-OAHLLOKOSA-N 291.439 3.847 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)CCOc1ccccc1 488881347 SNFNCCWODBDMNO-HOTGVXAUSA-N 287.403 3.659 30 20 CHED C[C@@H](C1CC1)N(Cc1ccc(Cl)cc1C#N)C1CC1 480506331 UARIZKIFBZXSDP-NSHDSACASA-N 274.795 3.975 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1ccc2occc2c1 811667450 VSBLJKZLEJATDY-CQSZACIVSA-N 294.354 3.824 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)no1 488852423 HJDNPJJRQUXATA-OAHLLOKOSA-N 296.370 3.831 30 20 CHED COc1cccc(O)c1C=Nc1ccc(OC(F)F)cc1 812391644 MPRQSXGWOUQNKA-UHFFFAOYSA-N 293.269 3.753 30 20 CHED Cc1cc(F)c(/C=C\C(=O)c2cnn(C(C)C)c2)c(F)c1 819010468 DZKDMYZHQNZGFS-PLNGDYQASA-N 290.313 3.947 30 20 CHED C=CCCCCOC(=O)c1ccccc1-c1nc(C)no1 811009859 CVQLRBFUQNIVCL-UHFFFAOYSA-N 286.331 3.558 30 20 CHED COCCC(C)=NNc1ccc(Cl)c(Cl)c1 814796830 RNVUTLUDSAXIAS-UHFFFAOYSA-N 261.152 3.818 30 20 CHED CC(=NN=C(c1ccccc1)c1ccccc1)c1cc[nH]n1 814691499 DVHWTTLCWPYTBR-UHFFFAOYSA-N 288.354 3.671 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccnn1[C@@H](C)CC(C)C 816769261 AGDYNFMOPXELAW-NSHDSACASA-N 285.338 3.640 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)CCc1ccccc1 812389409 IARHGQUUXVEKAW-NFECSFHCSA-N 283.371 3.841 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)s1 488821008 JHBKGTJWONSKIX-VIFPVBQESA-N 255.770 3.582 30 20 CHED C#CCC(C)(C)C(=O)OCCCSC(C)(C)C 810656997 YWCDNSPFNXFDRT-UHFFFAOYSA-N 256.411 3.501 30 20 CHED CC[C@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1OC(F)F 481373960 OKGCXQQNPNSFEO-RISCZKNCSA-N 294.345 3.780 30 20 CHED N#Cc1ccncc1N[C@H]1CC[C@H](c2ccc(F)cc2)C1 480575791 CYIIYRNGORINSQ-BBRMVZONSA-N 281.334 3.841 30 20 CHED C=C(CC)CNc1cc(-c2ccnn2C)ccc1C 486739555 ZJSRKPQRXOJEDK-UHFFFAOYSA-N 255.365 3.774 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 488874703 VPQUCAJMJWQTQS-OAHLLOKOSA-N 280.371 3.862 30 20 CHED CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CC1(C)C 577484208 WHPJPGHAPDSODE-YVSFHVDLSA-N 296.414 3.603 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2cccc(Cl)c2)nc1 729013463 YGGRRGIUXYQWMP-NSHDSACASA-N 285.730 3.634 30 20 CHED COc1cc(NCc2ccc(C#N)cc2OC)c(C)cc1C 480283138 NBNXHMMHYMDQCC-UHFFFAOYSA-N 296.370 3.804 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccccc1OC(F)F 483948791 YEGHRXNGDUDBSS-NSHDSACASA-N 298.333 3.567 30 20 CHED Cc1nc(N2C[C@@H](C)C[C@H]2c2ccccc2F)ccc1C#N 488049497 MATSQTPMMFVZJS-SJCJKPOMSA-N 295.361 3.988 30 20 CHED C=C[C@H]1CCCCN1c1cnc(-c2ccccc2)cn1 487749010 CDYLIPCKOYFTRZ-HNNXBMFYSA-N 265.360 3.689 30 20 CHED C=CCCCS(=O)(=O)N(C)Cc1ccc(C(C)C)cc1 489024813 UCZZOVUCSCXPIG-UHFFFAOYSA-N 295.448 3.538 30 20 CHED C=CC(C)(C)c1nc([C@H](C)c2cccc(OC)c2)no1 651215797 XGBVNOIIIIJSSH-LLVKDONJSA-N 272.348 3.694 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc(O)c(C)c1 728226362 NENJQFIQYGRXLF-UHFFFAOYSA-N 298.346 3.520 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)[C@H](C)O 570202180 DFGDRAUFFURCJL-KBPBESRZSA-N 296.370 3.840 30 20 CHED C=CCC[C@@H](C)Nc1cc(F)c(OC)c(F)c1OC 824946681 DIURRWXVLGWIKA-SECBINFHSA-N 271.307 3.749 30 20 CHED C=CCn1c(CC2CC2)nnc1N(C)[C@@H](C)c1ccccc1 576386866 IUZMEYHLUNGFDK-AWEZNQCLSA-N 296.418 3.614 30 20 CHED CCC/C(C)=C/C(=O)N(CCC#N)c1ccc(C)cc1 726940612 ZDSARWIHUHUPTL-FYWRMAATSA-N 270.376 3.988 30 20 CHED Cc1cc(CN[C@H]2CCc3c(C)cccc32)ccc1C#N 572685633 NGKMERHLTXKASX-IBGZPJMESA-N 276.383 3.952 30 20 CHED C=CCC1(C(=O)OCC[C@H]2CC2(Cl)Cl)CCC1 820549880 AEXLDSAURTUFSM-JTQLQIEISA-N 277.191 3.860 30 20 CHED C=CCCCCN1Cc2ccc(O)cc2C2(CC2)C1 579198389 VUSBPIKBDHQWRG-UHFFFAOYSA-N 257.377 3.596 30 20 CHED COc1ccc(CNN=C(C)c2ccc(C)c(C)c2O)cc1 728157547 ZFGKNVBMMFDLQZ-UHFFFAOYSA-N 298.386 3.531 30 20 CHED C=C[C@H](CC)CC(=O)N1CC(CC)(c2ccccc2)C1 822468459 GMIJUVDJLZJCEA-OAHLLOKOSA-N 271.404 3.779 30 20 CHED C=CCCNC(=O)N(Cc1ccccc1F)CC(C)C 661572136 HJXWWTYILKEULM-UHFFFAOYSA-N 278.371 3.569 30 20 CHED Cc1ccc(C#N)nc1N1CCC[C@H]1c1cccs1 589102962 GCSRPMPOOPFPMP-ZDUSSCGKSA-N 269.373 3.665 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cn(C)nc1-c1ccccc1 820499288 PIIJTHGIZQIGLJ-UHFFFAOYSA-N 298.386 3.733 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccsc2C(F)F)C1 905930627 ZFAPBNSZNFRBJR-BDAKNGLRSA-N 285.315 3.925 30 20 CHED Cc1ccccc1OCCN[C@@H]1CCc2ccc(C#N)cc21 589337219 UOKAMWPLXWBOBD-GOSISDBHSA-N 292.382 3.523 30 20 CHED C=C(Cl)C[C@H](NCC1CCC(C(C)C)CC1)C(=O)O 901941758 YKRWAMUBAJTDER-RUXDESIVSA-N 287.831 3.634 30 20 CHED C=C(Br)CN(CCc1ccc(F)cc1)C1CC1 735169441 UGDUVNHHLNORRU-UHFFFAOYSA-N 298.199 3.741 30 20 CHED Cc1nc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)[nH]c1C 901488801 HUDXSCPIKKAIPH-GULXKOIASA-N 278.355 3.726 30 20 CHED CC(C)(C)Oc1ccc(NC[C@H]2CCC=CO2)cc1C#N 824721843 JYCQQHQMWJOHOL-OAHLLOKOSA-N 286.375 3.840 30 20 CHED C#CCOc1cccc(NC(=S)Nc2ccccc2)c1 730951606 KUCUFLJRVJGDFS-UHFFFAOYSA-N 282.368 3.508 30 20 CHED N#CC1(c2ccc(-c3cc(F)ccc3CO)cc2)CCC1 906172214 OOCWOQAGQYUZQF-UHFFFAOYSA-N 281.330 3.930 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1F 495100304 UIOPZLSZMWPDBA-UHFFFAOYSA-N 298.361 3.728 30 20 CHED C=CCCNC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 665946109 SUTMHWUTCLPWDT-AWEZNQCLSA-N 272.392 3.573 30 20 CHED CC(C)[C@H](NCC1(C#N)CC1)c1cc(F)ccc1F 903106603 SGHMMTWLDKTICF-AWEZNQCLSA-N 264.319 3.555 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H]1c1ccsc1 588295286 QMPOAPUFQYOJHY-CQSZACIVSA-N 276.405 3.886 30 20 CHED Fc1cccc(-c2ccc(C=NNc3cccnn3)s2)c1 735975185 VALKEBIKQYSQBH-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CC(=NOC[C@H]1CCOC1)c1c(C)oc2ccccc12 834973811 QPPQCECSYBNNDB-ZDUSSCGKSA-N 273.332 3.518 30 20 CHED CC(=NNc1ncccn1)c1cccc(Cl)c1Cl 734978548 LWEVNXNNLJDADV-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@H](C)CC[C@@H]1C 581362593 XHQWXOACYIRTDG-CABCVRRESA-N 296.418 3.756 30 20 CHED CC(=NNc1ncccn1)c1ccc(Cl)c(Cl)c1 912973287 QJOVAIDCFGYAMS-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=CCC1(C(=O)OCCCCn2ccnc2C)CCCC1 838279703 JLOLTRBQVDASAL-UHFFFAOYSA-N 290.407 3.651 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 837516321 DMLLEDAYKSSIMP-QGZVFWFLSA-N 299.389 3.927 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1CCOC2(CCC2)C1 834977914 PAJBJZPQWLAGER-AWEZNQCLSA-N 264.413 3.634 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cnc2c(c1)c(C)nn2C 733749035 BAIRXNLODRQHPC-PLNGDYQASA-N 297.383 3.543 30 20 CHED CC(C)C[C@H](C)CN[C@@H]1CCc2cc(C#N)ccc21 589176664 ZIPSMVIMCMROEY-SUMWQHHRSA-N 256.393 3.817 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1cnc2ccsc2c1 835002405 SAHVEQNFZPJTPF-MRVPVSSYSA-N 287.310 3.561 30 20 CHED C#CCCCOC(=O)/C=C\c1ccc2cc(OC)ccc2c1 919665608 FHEUXSDDNXIQPE-XFFZJAGNSA-N 294.350 3.818 30 20 CHED C#CCN(CC)C(=O)c1ccc(Oc2ccccc2)cc1 919876740 MZJPBRZXWSMZTB-UHFFFAOYSA-N 279.339 3.574 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NCc2ccc(OCC#N)cc2)C1 832690459 HRRXOXDUIMVHPN-ZOBUZTSGSA-N 286.419 3.893 30 20 CHED N#Cc1ccc(Oc2nc(C3CCCC3)ns2)c(F)c1 591460913 RAKIAIWYPPUKPB-UHFFFAOYSA-N 289.335 3.999 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)[C@]1(C#N)CC12CCCC2 591103808 YCOWKWYWJXPXLV-QWQRMKEZSA-N 288.435 3.791 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1ccc(F)c(F)c1 918156359 OGCBRTTXFKFCMA-POHAHGRESA-N 290.240 3.763 30 20 CHED CC(C)(CNC(=O)CC1(C#N)CCCCC1)c1ccccc1 596782066 UVGRKEYNBJGYBE-UHFFFAOYSA-N 298.430 3.945 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1)c1ccccc1 916255218 KIYHUIHDOIOAIL-UHFFFAOYSA-N 268.316 3.611 30 20 CHED Clc1ccc(NN=C2C3CC4CC(C3)CC2C4)cn1 743450715 YQPLUFXNQVVBTP-UHFFFAOYSA-N 275.783 3.959 30 20 CHED COc1cc(CNCC2CCC(C#N)CC2)ccc1Cl 598978538 GGUNSLMQXFDEFO-UHFFFAOYSA-N 292.810 3.768 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CCCC12CCCCC2 835019961 CMOUZGSWCNKWHU-ZDUSSCGKSA-N 264.413 3.634 30 20 CHED CCn1cc(C=NNc2ccccn2)c2ccccc21 915047847 DVODMOXTSVJBBO-UHFFFAOYSA-N 264.332 3.502 30 20 CHED Cc1c(COC(C)(C)C)cccc1NC(=O)C#CC1CC1 837451735 NCRPFSLFYOWUAV-UHFFFAOYSA-N 285.387 3.662 30 20 CHED CCN(CCOc1cc(Cl)ccc1Cl)[C@H](C)C#N 595815704 QYOBRJBESWBOFU-SNVBAGLBSA-N 287.190 3.606 30 20 CHED CCCCCCCCCOC(=O)[C@@]1(C)CCN(C(C)=O)C1 747084971 MWAIANXRTKMDFY-KRWDZBQOSA-N 297.439 3.539 30 20 CHED CC(C)=CCC[C@H](C)CC=NNc1ncnc2[nH]cnc12 917555615 WGLUOWROZDGUNQ-LBPRGKRZSA-N 286.383 3.523 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 593657097 LPCBKDPTMIALCI-TZMCWYRMSA-N 270.376 3.713 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2sccc2C2CC2)n1 598852008 GNKVOMICRXSOOG-UHFFFAOYSA-N 297.383 3.761 30 20 CHED C#CCNC(=O)CSc1ccc(C2CCCCC2)cc1 915796624 NLVWFMDNTMYZEC-UHFFFAOYSA-N 287.428 3.576 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C[C@H](c1ccccc1)C(C)C 594094932 QXFOXAMHJSGWSO-HOTGVXAUSA-N 272.392 3.577 30 20 CHED N#Cc1nc(N2CCCc3sccc3C2)sc1Cl 596125070 YWDGLUDKQCAAHN-UHFFFAOYSA-N 295.820 3.682 30 20 CHED C=CCNC(=S)N(Cc1cccc(Cl)c1)C(C)C 916020141 DHZMBKHCWLTZKW-UHFFFAOYSA-N 282.840 3.611 30 20 CHED CCCCCCCNCc1cnc2c(C)cccn12 742366348 XRKXKXZHUOPJHI-UHFFFAOYSA-N 259.397 3.703 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 599527310 KJELLYAOMWSGLN-ITQYTPKQSA-N 296.414 3.687 30 20 CHED C=C[C@@H](C)ONC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 845625027 ZPCIHVNFSGFJAL-KBRIMQKVSA-N 298.386 3.522 30 20 CHED C=CCN(CCCc1nc(-c2ccccc2)no1)C(C)C 741777157 KMYVINMSMQONQI-UHFFFAOYSA-N 285.391 3.566 30 20 CHED N#CC1(CNC(=O)Nc2ccc3ccccc3c2)CCC1 841596677 UJWDTMYSLRTDII-UHFFFAOYSA-N 279.343 3.655 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842942735 DQGWBHNWOUWMCT-IJLUTSLNSA-N 274.389 3.633 30 20 CHED N#CC1(CC(=O)Nc2ccc3c(c2)COC3)CCCCC1 597464474 XXKIMBRRJGNFRQ-UHFFFAOYSA-N 284.359 3.519 30 20 CHED CCC(=NNc1nc2ccccc2n1C)c1ccc(F)cc1 915967247 FXPKNXIZUYPTJM-UHFFFAOYSA-N 296.349 3.939 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCc3ccccc3C2)o1 745612094 ONUIOBOGCWASAA-UHFFFAOYSA-N 294.358 3.626 30 20 CHED Cc1ccc(-c2nc(CN3CCC[C@H](CC#N)C3)co2)cc1 595609088 FXCYLGFLIGVWBC-OAHLLOKOSA-N 295.386 3.776 30 20 CHED C[C@H](/N=C/c1ccccc1O)c1cccc(-n2cccn2)c1 745977223 RPRLDIQZCOBVOD-ITRAFESCSA-N 291.354 3.758 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc(C#N)cc2)o1 915961280 DDPZYTTZNXEINI-NHYWBVRUSA-N 265.316 3.721 30 20 CHED C[C@@H](C/N=C/c1cc(Cl)ccc1O)N1CCCC[C@H]1C 915271433 URVMJEVFHQQORT-LDQMOMIISA-N 294.826 3.727 30 20 CHED C[C@@H](C(=O)O[C@@H](C#N)C(C)(C)C)c1ccc(Cl)cc1 845510783 DSQMWEBFETUBPW-MFKMUULPSA-N 279.767 3.925 30 20 CHED CC1=C(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)CCC1 747234258 ZTVCDWHIGNVWDW-ZDUSSCGKSA-N 279.343 3.548 30 20 CHED Cc1ccsc1/C=C1\Oc2ccc(F)cc2C1=O 749746019 KGFXGGYUNLJJDQ-GHXNOFRVSA-N 260.289 3.812 30 20 CHED C=CC[C@@H]1CCCN(C(=S)Nc2ccsc2)C1 849279591 AVUPFKAOUPXGIW-LLVKDONJSA-N 266.435 3.733 30 20 CHED CC(C)(C#N)C(=O)OCCSc1cccc(Cl)c1 849698759 QVXACZRCWJUOCD-UHFFFAOYSA-N 283.780 3.525 30 20 CHED C#C[C@H](OC(=O)CSCCCC)c1ccc(F)cc1 842410515 DTFRJSFEEPQLTH-AWEZNQCLSA-N 280.364 3.577 30 20 CHED Fc1cccc(C=NNc2nccc3sccc23)c1 915979901 KVTSXFXGTKBMTB-UHFFFAOYSA-N 271.320 3.881 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccncc1 590778608 DNEUWUYXIIWBLY-MRXNPFEDSA-N 285.778 3.848 30 20 CHED C[C@@H](C#N)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 595717004 KHYKQNPBVMGOEY-JTQLQIEISA-N 268.282 3.582 30 20 CHED CC[C@@H](C)CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 596728353 QAAGBHJOVWWZGB-CQSZACIVSA-N 299.418 3.668 30 20 CHED C[C@H](CC(=O)N(CCC#N)CC(C)(C)C)c1ccco1 599348671 BAWCPWAYKRZWCH-CYBMUJFWSA-N 276.380 3.562 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nc([C@H](C)C2CC2)no1 594528677 CHCJLYXAQVRGQP-VXGBXAGGSA-N 281.359 3.801 30 20 CHED C[C@H](NC(=O)N1CCC[C@H](CC#N)C1)[C@H]1CCC[C@@H](C)C1 595649240 XLHFEUBVXVNPOY-QXSJWSMHSA-N 291.439 3.536 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 597041061 FOTRNTCYTYEJKC-QZTJIDSGSA-N 298.430 3.796 30 20 CHED Cc1ccccc1C1CC(=NNc2cncc(Cl)n2)C1 743435616 LCNLTACYTHTYOO-UHFFFAOYSA-N 286.766 3.784 30 20 CHED C#CCCCNC(=O)/C=C/c1cccc(OC2CCCC2)c1 742786224 RRDSRHFBAFQUAK-OUKQBFOZSA-N 297.398 3.551 30 20 CHED Cc1cc([C@H](C)NC(=O)C#Cc2ccccc2)c(C)s1 747359820 LCSYJVFQUNYHJE-ZDUSSCGKSA-N 283.396 3.594 30 20 CHED N#CC1(CCOC(=O)Cc2ccccc2F)CCCCC1 840014599 JUOQUEPYXFTRCO-UHFFFAOYSA-N 289.350 3.776 30 20 CHED C(#Cc1cccs1)c1cccc(NCC2CCOCC2)c1 680624025 RZQSVVDXMNRMTJ-UHFFFAOYSA-N 297.423 3.986 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(C)cn1)c1ccccc1 753116430 HMEBJLHMDONDPD-MRXNPFEDSA-N 280.371 3.827 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(CCC)cc1 857303541 JICWBBJVLAIDSO-HNNXBMFYSA-N 286.419 3.640 30 20 CHED C[C@H](CN[C@H](C)CC(C)(C)C#N)Cc1cccs1 925141784 CSCZEDDJAMPMRE-QWHCGFSZSA-N 264.438 3.845 30 20 CHED C=C[C@@H](OC(=O)c1ncoc1C1CC1)c1ccccc1 851452357 RKFCNAVKUCNYTP-CYBMUJFWSA-N 269.300 3.636 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(N(C)C)cc1)C2=O 759664437 KNPURFXHSZQWKG-SDNWHVSQSA-N 293.366 3.584 30 20 CHED C=CCCN(C)Cc1cnn(Cc2ccccc2Cl)c1 682436227 AHQIKKASCNGHRO-UHFFFAOYSA-N 289.810 3.593 30 20 CHED CCCCCCCCNC(=O)N1CCC(OCC)CC1 754865023 YOKBNIMJLAQHGM-UHFFFAOYSA-N 284.444 3.557 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@@H]2C[C@@H]2c2ccccc2)cc1 755462098 NEFFHMHYAQUEFJ-XJKSGUPXSA-N 281.315 3.796 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@@H]1CC[C@H](C)C1 759280432 BECVBRQTZBLCRF-QWHCGFSZSA-N 287.359 3.689 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](C)c1ccc(SCC)cc1 753130040 JDCHRJKYXRAOSE-OCCSQVGLSA-N 290.432 3.571 30 20 CHED CC/C(=C\C(=O)N(CC)[C@H](C)C#N)c1cccc(Cl)c1 856075024 HABJBPIKBOZZPD-GMCKNXKJSA-N 290.794 3.894 30 20 CHED C#CC[C@@H](NCc1cnn(CC2CCC2)c1)c1ccccc1 921933876 AWVLQEVYJZZUFQ-LJQANCHMSA-N 293.414 3.537 30 20 CHED CC(CC(C)(C)C#N)=NNc1cc(F)c(F)cc1F 853308858 YSGTXXUGRHLDNJ-UHFFFAOYSA-N 269.270 3.832 30 20 CHED C=C(C)[C@H](CC(=O)N(C)C1CCCCCCC1)OCC 755816338 OYTAGNCEVQFDPM-INIZCTEOSA-N 281.440 3.929 30 20 CHED CC(C)c1ncc(C=NNc2ccc(F)cc2)s1 758359711 QTLQXADSXINVMT-UHFFFAOYSA-N 263.341 3.852 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C1/CC[C@H](C)C1 753581904 GLAVLECCWVGYQA-SUCHYCSPSA-N 299.414 3.956 30 20 CHED CC[C@H](C)N(CC)C(=O)Nc1ccccc1O[C@H](C)C#N 930761956 YGYUJEMFJIVNAD-QWHCGFSZSA-N 289.379 3.630 30 20 CHED C#Cc1ccc(C(=O)N(C)c2ccc(CCCC)cc2)cn1 752369593 IKHVSCSTOKNXGZ-UHFFFAOYSA-N 292.382 3.682 30 20 CHED CC(C)(C(=O)OCC#N)c1ccc(-c2ccccc2)cc1 751921604 JHYWVHDQNGAPLS-UHFFFAOYSA-N 279.339 3.698 30 20 CHED CCC(C#N)(CC)C(=O)OCCc1ccc(Cl)cc1 860200339 UCTYBTYIENERGX-UHFFFAOYSA-N 279.767 3.756 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C1CC(F)(F)C1 768040457 UHROCASVMAKDTJ-UHFFFAOYSA-N 293.313 3.576 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2cc(C#N)cc(Cl)n2)C1 768381574 JKOIFYPQMPQJFW-MNOVXSKESA-N 276.771 3.831 30 20 CHED N#CCCCSc1nc2cc(Br)ccc2o1 863377557 MEWAVGSOQGCVEI-UHFFFAOYSA-N 297.177 3.986 30 20 CHED C#C[C@H](OC(=O)CCCCSC)c1ccc(C)cc1 860964865 XYMGZARDFPZJEM-HNNXBMFYSA-N 276.401 3.746 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 767073044 PGGUISYICHYDLQ-UHFFFAOYSA-N 296.370 3.946 30 20 CHED C=CCC[C@@H](C(=O)OCc1nccnc1C)c1ccccc1 869479738 GSQWWHDJYZQKJC-MRXNPFEDSA-N 296.370 3.578 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 930011681 JBSQVVWOLKUAQB-CQSZACIVSA-N 296.414 3.963 30 20 CHED CCc1cnccc1C(C)=NNc1cccc(C)c1 765544909 YPIYJPZJHNUZME-UHFFFAOYSA-N 253.349 3.789 30 20 CHED CCCCCCCCn1cnc(C(C)C)cc1=O 762199790 UJGCMNLLNQFCHI-UHFFFAOYSA-N 250.386 3.727 30 20 CHED C#CCCOC(=O)c1cc(SC)c(Cl)cc1Cl 761073162 FFAVJAJWFFQLDI-UHFFFAOYSA-N 289.183 3.895 30 20 CHED Cc1ccc(C=NNc2ncc(Cl)cc2Cl)nc1 761805712 WNGGWEKKIMVFKO-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sc2cccc(C)c2c1Cl 767233468 ZGKSRQYSWUUZDR-SNVBAGLBSA-N 291.803 3.957 30 20 CHED Cc1cccc2sc(NN=C3CCO[C@@H](C)C3)nc12 872419704 RTRNEZDWUQBKSM-JTQLQIEISA-N 275.377 3.572 30 20 CHED CN(CCC1CCCCC1)C(=O)Cc1ccccc1CC#N 777378343 UZUITPRBROXLHC-UHFFFAOYSA-N 298.430 3.724 30 20 CHED C[C@@H](OC(=O)[C@H]1CCCC1(C)C)c1ccc(C#N)cc1 774144280 ITYKAFUHNSMADN-IUODEOHRSA-N 271.360 3.989 30 20 CHED Fc1ccc(C=NNC2CCCC2)c(C(F)(F)F)c1 771882946 CDXZVZUXUZJEJK-UHFFFAOYSA-N 274.261 3.711 30 20 CHED CC(=NOC1CCCC1)c1c(C)nn(C(C)C)c1C 774608445 MVLHGWDGEMDPJQ-UHFFFAOYSA-N 263.385 3.764 30 20 CHED CC(=NNC[C@@H](C)C#N)c1ccc(N2CCCCCC2)cc1 771102368 FIUCCPONXJAARP-HNNXBMFYSA-N 298.434 3.540 30 20 CHED C=C(CC)COC(=O)c1csc(-c2ccc(O)cc2)n1 773499765 AXNIIZDHLDQPLT-UHFFFAOYSA-N 289.356 3.639 30 20 CHED CC(=O)[C@@](C#N)(CCN(C)C1CC(C)(C)C1)c1ccccc1 878704529 WBLWSLSABPHPFO-IBGZPJMESA-N 298.430 3.547 30 20 CHED C#CCCCCc1nc(-c2nccc3ccccc23)no1 773177426 LIYYKSIJBLHELV-UHFFFAOYSA-N 277.327 3.631 30 20 CHED CCC[C@@H](OCC)C(=O)Nc1sc(C)c(CC)c1C#N 875298061 SVSPJVFSOHETCJ-CYBMUJFWSA-N 294.420 3.634 30 20 CHED C#CCCCCCC(=O)N(Cc1ccc(C#N)cc1)C(C)C 779818675 MESDZKZPZPKXQN-UHFFFAOYSA-N 296.414 3.879 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@@](C)(C#N)CCc1ccccc1 779987341 UZXMIJRTLFTDIM-LGHUBQEGSA-N 284.403 3.764 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1cccc2ncccc12 889746302 SCVBGHWGWKHQFA-UHFFFAOYSA-N 268.360 3.800 30 20 CHED C=C(CC)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 1123947762 WPBJBFNYJCZOKW-UHFFFAOYSA-N 291.700 3.941 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)OCCC(C)(C)C#N 776367169 ZIUDGZNFNUACBI-UHFFFAOYSA-N 270.332 3.573 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2cccc(F)c2C#N)s1 777581587 WPYRRKBGNVNGGJ-SNVBAGLBSA-N 288.347 3.558 30 20 CHED CSC1(C(=O)OCCCCC(C)(C)C#N)CCC1 787243701 SSHFCXKRVRNZKO-UHFFFAOYSA-N 269.410 3.535 30 20 CHED Cc1ccc(CC(=NOC[C@@H]2CCOC2)C(C)C)cc1 788030869 RHIORZPSQQPYOW-MRXNPFEDSA-N 275.392 3.603 30 20 CHED C#Cc1ccc([C@@H](OC(=O)[C@H](F)CC)C(F)(F)F)cc1 1121220350 VFOBUNAPMCFGPA-VXGBXAGGSA-N 288.240 3.563 30 20 CHED C=CCOc1ccc(C(=O)OCCCC(C)(C)C#N)cc1 782677152 PSXCGTMMFVLPCT-UHFFFAOYSA-N 287.359 3.738 30 20 CHED C=C(C)CCC(=O)N(Cc1ccc(F)cc1F)C1CC1 1120558669 URHJWVYXRQDKAR-UHFFFAOYSA-N 279.330 3.812 30 20 CHED C/C(=C\C(=O)OCC(C)(C)CCC#N)c1ccco1 1122881571 AYZGUSDKQUJJMW-ZRDIBKRKSA-N 261.321 3.556 30 20 CHED C[C@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1F 783582288 IXHNWAVIPCXLQS-LBPRGKRZSA-N 277.339 3.802 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(Cl)s1 1120734559 ZGUQMTQZLSWAOL-JTQLQIEISA-N 269.797 3.972 30 20 CHED C#CCN(C(=O)c1ccc(C(C)C)c(Cl)c1)C1CC1 786207489 JMGWAVGXBKXKQL-UHFFFAOYSA-N 275.779 3.701 30 20 CHED COc1ccc(/C=C2/CCc3scnc3C2=O)c(C)c1 899387955 WQIPJQASQIZTPN-WQLSENKSSA-N 285.368 3.673 30 20 CHED CC1(C)CCC(CNC(=O)c2cccc(F)c2C#N)CC1 1138034013 OLLADGDUWNDLCW-UHFFFAOYSA-N 288.366 3.644 30 20 CHED C=CCOCC(=O)O[C@@H](C)c1ccc(C(C)C)cc1 783457413 XPLYBDLEJXADJU-ZDUSSCGKSA-N 262.349 3.617 30 20 CHED CC1(C=NNc2nc(-c3ccc(Cl)cc3)no2)CC1 782230614 GFIWOXHQQIZMEB-UHFFFAOYSA-N 276.727 3.588 30 20 CHED Clc1ccc(C=NNCCc2ccccn2)cc1Cl 789097055 KVWYRDKVDLCSHK-UHFFFAOYSA-N 294.185 3.555 30 20 CHED C=CCC1(O)CCN(C(=O)[C@@H](CC)CCCCCC)CC1 899589435 UIFYSCKRESQQSX-INIZCTEOSA-N 295.467 3.913 30 20 CHED C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)c1ccc(F)cc1 1134733950 SESDCPPDQIQORO-CXAGYDPISA-N 296.345 3.700 30 20 CHED O=C1/C(=C/c2cccc(F)c2)COc2cc(F)ccc21 794728629 SHKFTZVVZZOCHY-IZZDOVSWSA-N 272.250 3.624 30 20 CHED CCC/C=C\C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570630 ILUIBIKUBPHSJI-TVRMLOFPSA-N 276.405 3.973 30 20 CHED C=C1CC(c2noc(CCc3ncc(C(C)(C)C)o3)n2)C1 896878383 ZIOLAVCZLDIIHC-UHFFFAOYSA-N 287.363 3.574 30 20 CHED C=CCC[C@H](C(=O)OCc1ccnc(C)n1)c1ccccc1 795598238 SGTWZHPTUPOPOM-KRWDZBQOSA-N 296.370 3.578 30 20 CHED CCCCCCCCS(=O)(=O)Cc1ccccc1OC 790143965 DIEPNGMZZJZMBM-UHFFFAOYSA-N 298.448 3.971 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(C#N)cc1 796322893 LMHHJFGLQBAOPY-HOCLYGCPSA-N 299.370 3.501 30 20 CHED CC[C@@](C)(NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 790458936 GSXBBOQZULHCPZ-GOSISDBHSA-N 296.345 3.753 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)[C@](C)(C#N)CC 582084001 XGYHOUJUDQFLQO-KRWDZBQOSA-N 272.392 3.674 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC23CCC3)cc1 799867465 JVCBIWMZBWTJGK-UHFFFAOYSA-N 273.405 3.602 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(C)c(OC)c(Cl)c1 796794142 YXVXSOANIDGQRI-WDEREUQCSA-N 253.773 3.882 30 20 CHED C=CCNc1nc(C(=O)OC[C@@H](C)CC(C)C)cs1 798578110 ZOBUFFQIJAVVSO-NSHDSACASA-N 282.409 3.580 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1c[nH]c2ccccc12 790310735 NBTIXFWXCMDSMD-UHFFFAOYSA-N 298.277 3.661 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccnn1-c1ccccc1 799103528 BEZJJZVHHDLVIK-UHFFFAOYSA-N 294.333 3.848 30 20 CHED CCC(CC)NN=C/C=C\c1ccc(F)c(F)c1 794908694 MLGKKJMOHIPXLO-ADLNQRAGSA-N 252.308 3.742 30 20 CHED CC(Cc1cccc(C(F)(F)F)c1)=NNc1cccnn1 799109865 MEPAWJAWYWREJC-UHFFFAOYSA-N 294.280 3.526 30 20 CHED CC[C@H](C)NN=C(C)c1ccc(F)cc1Br 790188064 DGXKRZIAHKFXOW-QMMMGPOBSA-N 287.176 3.700 30 20 CHED C#CCC1(C(=O)Nc2cnc(CC(C)C)nc2)CCCCC1 791981407 BICBGUJTUBZPOS-UHFFFAOYSA-N 299.418 3.587 30 20 CHED C=C(C)[C@H](CC(=O)NC(C)(C)C1CCCCC1)OCC 1319490815 QQUUWCHRIDNHEW-HNNXBMFYSA-N 281.440 3.833 30 20 CHED CCOc1ccc(Sc2ccnc(C#N)c2)cc1 1162032857 XMXDTULSXBUOQR-UHFFFAOYSA-N 256.330 3.503 30 20 CHED Cc1cc(N2CC[C@H](Cc3ccccc3)[C@H]2C)c(C#N)cn1 1162706259 PXOFCKOVCZQYGC-NVXWUHKLSA-N 291.398 3.719 30 20 CHED COCCCC(C)=NNc1ccc(C)c(Cl)c1 1319176760 DBJKBQDZTAJCES-UHFFFAOYSA-N 254.761 3.863 30 20 CHED Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC(C)(C)CC#N 1325573336 GPULLHSZWQXRIS-OLZOCXBDSA-N 272.392 3.778 30 20 CHED C#CCN(CC#CC)C(=O)c1ccc(-c2cccs2)s1 1325201670 BPPYTQOELIGGEN-UHFFFAOYSA-N 299.420 3.575 30 20 CHED N#Cc1cccc2c1CCN2CCc1ccc(Cl)cc1 1654793398 LEMCOVLOXTVZLA-UHFFFAOYSA-N 282.774 3.817 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(C(C)(C)C)cc1 1320303624 STMSIHKAHIMXLD-CZUORRHYSA-N 261.409 3.836 30 20 CHED N#CCCCCOC(=O)C1(Sc2ccccc2)CC1 1322910294 NPSGXTRFUUXGCO-UHFFFAOYSA-N 275.373 3.548 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1nc(C(C)(C)C)cs1 1332843349 IEFFISHVTWFRDQ-GFCCVEGCSA-N 293.480 3.901 30 20 CHED CC[C@@H](CC(=O)N[C@H](C#N)C1CCCC1)c1ccccc1 1262108419 OWSSMNUGGGMBCF-WMLDXEAASA-N 284.403 3.769 30 20 CHED CC(C)(C)ON=Cc1ccccc1Br 1341311202 XMNHKBISQQAIIO-UHFFFAOYSA-N 256.143 3.598 30 20 CHED COc1cc(C#N)ccc1C(=O)N[C@H](C)CCC(C)(C)C 1435205559 FZZCDFLNTPTWHU-GFCCVEGCSA-N 288.391 3.511 30 20 CHED N#CC1(CCCCSc2nc3c([nH]2)CCC3)CCC1 1356044401 DMJQAKSWTOJOCC-UHFFFAOYSA-N 275.421 3.855 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 1518199252 NIOLDAXKQSNPRF-UPJWGTAASA-N 259.349 3.845 30 20 CHED C[C@@H](NCC1(C)CCCC1)c1ccc(OCC#N)cc1 108941348 QRAIDOPXNDGLPP-CQSZACIVSA-N 272.392 3.820 30 20 CHED N#CC[C@@H](OC(=O)CCCc1cccs1)c1ccco1 1520425164 JURDCAGQSMVMGD-CQSZACIVSA-N 289.356 3.862 30 20 CHED CCC[C@@H](CC)C(=O)O[C@@H](C)c1ccc(C#N)cc1 1524303460 YITRBWPNSJRCEQ-GXTWGEPZSA-N 259.349 3.989 30 20 CHED C[C@@H](OC(=O)c1cc(C(C)(C)C)on1)c1cccc(C#N)c1 1533365571 RABTXIVNLSITCD-LLVKDONJSA-N 298.342 3.762 30 20 CHED Cc1cc(Sc2ccc3c(c2)CCC3)ncc1C#N 1472642771 HOFZIGUZRGUROD-UHFFFAOYSA-N 266.369 3.902 30 20 CHED C[C@@H]1CCCCN(c2c(Br)cccc2C#N)C1 1612268722 FYBSWADEAZZWNF-LLVKDONJSA-N 293.208 3.947 30 20 CHED C[C@@H](c1ccc(Cl)cc1Cl)N1CC(C)(C#N)C1 1559799351 VTEUJRLXTXGGHS-VIFPVBQESA-N 269.175 3.900 30 20 CHED Cc1ccc(-c2ccc(CNc3n[nH]cc3C#N)s2)cc1 1620930125 LYCYMVYBVYARQI-UHFFFAOYSA-N 294.383 3.930 30 20 CHED Cc1cc(N2C[C@H](c3ccccc3C)C[C@H]2C)c(C#N)cn1 1559114532 WSCJYJYBMLBOPV-HZPDHXFCSA-N 291.398 3.953 30 20 CHED CC(C)[C@@H]1CN(c2ncc(C#N)cc2F)c2ccccc21 1639868664 XQMBPCJYQBAOMC-AWEZNQCLSA-N 281.334 3.984 30 20 CHED Cc1cc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)ccc1C#N 1560294095 NMNWZDHSROEZOC-ZSXDVEMLSA-N 280.415 3.781 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(Br)cc1 119341115 ZBEDAKKYDKOPBK-UWVGGRQHSA-N 254.171 3.674 30 20 CHED C=C(Cl)CN[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 1560156403 MPMJWHBTZFVLMK-CYBMUJFWSA-N 299.773 3.551 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(CC)CCC 1740809977 NVKZSJKMZQBGQV-UHFFFAOYSA-N 282.819 3.534 30 20 CHED Cc1cc(Nc2ccc(NC3CCCC3)nc2)ncc1C#N 1655072737 XGGRLFAFJWWNEO-UHFFFAOYSA-N 293.374 3.755 30 20 CHED C=C[C@@H](C(=O)O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 1588664494 QRCDJRAKHRILFJ-HOTGVXAUSA-N 285.387 3.633 30 20 CHED Cc1cc(N(Cc2ccccc2)CC(C)C)ncc1C#N 1651442086 ZUHYVZVNQYMSEK-UHFFFAOYSA-N 279.387 3.924 30 20 CHED CCC[C@]1(C)CCCN(CCOc2cccc(C#N)c2)C1 1653466392 YFYLXLOSQJLBCF-GOSISDBHSA-N 286.419 3.839 30 20 CHED CC(C)[C@H]1C[C@H](Nc2cc(F)cc(C#N)c2)CS1 1665454483 UVCDGYHKNHXKFG-UONOGXRCSA-N 264.369 3.639 30 20 CHED C[C@]1(CN2CCC[C@@H](CC#N)C2)C[C@@H]1c1ccccc1 1665228876 IUXTVTLLAQJTDA-CGTJXYLNSA-N 268.404 3.806 30 20 CHED Cc1cc(C)c(C#N)c(NCCSc2ccccc2)n1 18061762 ZEPNKFUFUYHDJG-UHFFFAOYSA-N 283.400 3.774 30 20 CHED CCCc1ccc(C=NNc2cccc(C(=O)O)c2)s1 1776037512 LVDJINIMLDQZOK-UHFFFAOYSA-N 288.372 3.845 30 20 CHED Cc1cc(F)cc(C=NNc2cccc(C(=O)O)c2C)c1 1776089283 KUACKAIRQKTHAY-UHFFFAOYSA-N 286.306 3.587 30 20 CHED CSc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)nc1 150887210 GFMSCVGLDMEAKT-LBPRGKRZSA-N 299.399 3.706 30 20 CHED C=CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 161465201 OWKGFTPBSBRLBS-RYUDHWBXSA-N 284.186 3.741 30 20 CHED C[C@H](CC1CCOCC1)Nc1ccccc1O[C@H](C)C#N 162270407 TZODPRVKOIQDJU-ZIAGYGMSSA-N 288.391 3.595 30 20 CHED CCC[C@H](C(=O)N[C@@]1(C#N)CCC[C@H](C)C1)C(C)C 162565625 JWNUSZABTFSFAM-DZKIICNBSA-N 264.413 3.647 30 20 CHED CCCCC[C@@H](C(=O)Nc1ccn(CCC#N)n1)C(C)C 152112152 VANSKNVZTICDFJ-CQSZACIVSA-N 290.411 3.588 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H](C)c1ccc(F)cc1F 152250440 CMHSNURACBFUMV-QWRGUYRKSA-N 267.319 3.539 30 20 CHED Cc1ccc(-c2cnn(CN(CC#N)C3CCCC3)c2)cc1 153416611 BIJFIDPNYPHRDC-UHFFFAOYSA-N 294.402 3.584 30 20 CHED C=CCC[C@H](NC(=O)c1coc(CC)n1)c1ccccc1 153710209 GGGUGYRWGBMUHO-AWEZNQCLSA-N 284.359 3.674 30 20 CHED C=CCCOCC/N=C/c1cc(Cl)cc(Cl)c1O 154800895 OHYRRMILOOUALK-CXUHLZMHSA-N 288.174 3.711 30 20 CHED CC(C)n1c(-c2ccc(C#N)o2)nc2ccc(F)cc21 154928560 GFXVFOIPMMHOOB-UHFFFAOYSA-N 269.279 3.888 30 20 CHED CC(C)CCn1ccc(N[C@H](C)c2ccc(C#N)cc2)n1 159859858 AAXZEYSSGOUWKG-CQSZACIVSA-N 282.391 3.974 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(O)cc2)c1 209181081 ZYGKZRKYQPVSCM-WDZFZDKYSA-N 268.312 3.687 30 20 CHED N#Cc1ccc(-c2ccc(N)c(C(F)(F)F)c2)cc1 141084627 DNRZRGNYACGQBG-UHFFFAOYSA-N 262.234 3.826 30 20 CHED Cc1ccccc1C[C@H](C)N[C@H](C)CC(C)(C)C#N 924823034 JJCFQLNBQUXGDE-LSDHHAIUSA-N 258.409 3.844 30 20 CHED CC[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 135018960 CMRPZFNKKWPYJI-JTQLQIEISA-N 268.282 3.813 30 20 CHED CC(C)[C@@H]1CCC[C@H]1Nc1ccc(OCC#N)cc1 1319864431 RICPLRNECDZWJR-JKSUJKDBSA-N 258.365 3.826 30 20 CHED N#Cc1cccc(CNc2ccc(Cl)c(C#N)c2)c1 35222617 OIXGEUSBUHDMQS-UHFFFAOYSA-N 267.719 3.695 30 20 CHED C=CC[C@@H](C)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 163308296 KISRBFLAKLNBCF-IUODEOHRSA-N 262.353 3.990 30 20 CHED Cc1ccc(C#N)c(Oc2ccc(Cl)cc2[N+](=O)[O-])n1 43400319 CKMYNKNAVOPDAR-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CCc1cc(C(=O)N(C)c2cccc(C#N)c2)sc1C 49121424 GACHGUBGCUQOIP-UHFFFAOYSA-N 284.384 3.767 30 20 CHED C#C[C@H](NCc1sccc1Br)C(C)(C)C 309083759 UJRBXVZKTZHFKH-NSHDSACASA-N 286.238 3.648 30 20 CHED C[C@@H](Cc1ccc(O)cc1)Nc1cccc(CC#N)c1 313432974 ZIOMBWIKNIIHCN-ZDUSSCGKSA-N 266.344 3.501 30 20 CHED C[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C1 429573278 YTSAYGHJTQMUBD-SMDDNHRTSA-N 262.784 3.832 30 20 CHED C=CC[C@H](CC)Nc1nc(C)cc(C(F)(F)F)n1 440640453 SOJOJRUQHXYNJT-VIFPVBQESA-N 259.275 3.570 30 20 CHED Cc1nc(N(CC2CC2)CC2CC2)c(Cl)cc1C#N 381956099 CKXLCHQMZWFHOE-UHFFFAOYSA-N 275.783 3.542 30 20 CHED C=CCN(Cc1c(C(=O)O)sc2ccccc12)C1CC1 382485885 UQZCCYHPNGRXIH-UHFFFAOYSA-N 287.384 3.750 30 20 CHED N#Cc1cc(N[C@H]2CC23CCCCC3)ccc1[N+](=O)[O-] 386990940 FPWYHDXWIQHVEI-AWEZNQCLSA-N 271.320 3.601 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)c2ccccc2F)c1 108972240 NFSQPKWBVQJRJX-ZDUSSCGKSA-N 281.330 3.574 30 20 CHED CC(C)c1cccc(-c2ccc(C(=O)NC3(C#N)CC3)o2)c1 179780739 SWTAXNDPUURUQW-UHFFFAOYSA-N 294.354 3.856 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H](CC)c1ccccc1 101585638 HNIOLUCYZLGFRM-JSGCOSHPSA-N 263.406 3.562 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC(C=C)CC2)c1 111736658 UCSDISPZGBNTOO-UHFFFAOYSA-N 286.375 3.681 30 20 CHED CC1(Nc2cc(Br)c(C#N)cc2F)CCC1 309510586 SXHXNYJRCWKZNG-UHFFFAOYSA-N 283.144 3.814 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2cccs2)no1 109463096 VPRLFRNIEZYMRF-JTQLQIEISA-N 297.339 3.810 30 20 CHED C=CCCCN(C)C(=O)[C@@H](C)c1cc2ccccc2o1 176436885 GOGLPLCGXPMTJC-ZDUSSCGKSA-N 271.360 3.961 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2cccc(SCC#N)c2)C1 175573153 HJPUCBKIHLEFDT-TZMCWYRMSA-N 288.416 3.611 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)c1cccc(F)c1 172907203 LWGCJNASSUXOPV-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C#CCCCN[C@H](C)c1cnn(-c2cc(C)ccc2C)c1C 178053167 ZXJSCERIBLXBPU-MRXNPFEDSA-N 295.430 3.862 30 20 CHED CC[C@@H](Nc1ccc(C#N)nc1)c1cc(F)ccc1F 301528692 GXTDEHBVLXMYQL-OAHLLOKOSA-N 273.286 3.795 30 20 CHED C=CCN1CCC(N[C@@H](CCC)c2ccccc2)CC1 177904337 CLQXUFQBJVCSTO-SFHVURJKSA-N 272.436 3.768 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 177579167 BNDRAEJUDDLEJH-PBHICJAKSA-N 296.414 3.876 30 20 CHED CS[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 172354223 ILJZUTRRHLGQPS-HNNXBMFYSA-N 282.368 3.601 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1nc(C)c(-c2ccccc2)o1 116853398 BSHCYYDFOXERPO-CYBMUJFWSA-N 298.386 3.663 30 20 CHED C=C[C@H](CC)CC(=O)Oc1cccc(NC(=O)C2CC2)c1 1341868730 IUORVXRAJPDVII-GFCCVEGCSA-N 287.359 3.543 30 20 CHED Cc1ccc(N/C(N)=N/C[C@@H]2CCCc3ccccc32)cc1 303909039 YAYQZECAMUDLAX-INIZCTEOSA-N 293.414 3.842 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)CCCC2 177567435 XCOCSNYFACNGMK-UHFFFAOYSA-N 294.329 3.828 30 20 CHED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1ccco1 118985601 XXRVCKQFWAQIFD-VMPITWQZSA-N 278.254 3.820 30 20 CHED CCN(C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C(C)C 119042434 AGARNKCYJHSQTL-SJORKVTESA-N 299.418 3.608 30 20 CHED Cc1oc(C(C)(C)C)cc1COC(=O)c1cccc(C#N)n1 1349737919 OKPMHIHBIXYCRE-UHFFFAOYSA-N 298.342 3.509 30 20 CHED N#CCCN(C/C=C/c1ccc(Cl)cc1)CC1CC1 179453592 SQIKJPISMYBKKD-HNQUOIGGSA-N 274.795 3.979 30 20 CHED N#Cc1cc(NCCC2CC2)ccc1C(F)(F)F 124020472 YVPVZIYHEOSAEG-UHFFFAOYSA-N 254.255 3.789 30 20 CHED C=C(C)CSCCOc1ccc2c(C)cc(=O)oc2c1 123026070 GOGLSZOCHHPYBS-UHFFFAOYSA-N 290.384 3.790 30 20 CHED Cc1cccc(CCC(=O)Nc2cccc(C#N)c2C)c1 178378389 XRUNNFUDXAHJEA-UHFFFAOYSA-N 278.355 3.746 30 20 CHED CN(C(=O)c1ccc(-c2ccccc2F)o1)C1(C#N)CCC1 128236253 JIHHPQUMXHGXOH-UHFFFAOYSA-N 298.317 3.604 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)c1cccc(SC)c1 188475469 WRYMTTOHDYAXSP-MRXNPFEDSA-N 293.432 3.600 30 20 CHED C=CCCC(=O)N[C@@H](CCC)c1ccc(F)cc1F 124245297 BDBMEYCYILXIHP-AWEZNQCLSA-N 267.319 3.888 30 20 CHED C[C@@H](NCCCC#N)c1ccc(OCC2CC2)c(F)c1 181591278 USSFNCCFWZZLMT-GFCCVEGCSA-N 276.355 3.569 30 20 CHED CCN(CCc1c(F)cccc1Cl)C[C@@H](C)C#N 125595583 RWSLHSKTMMBOHD-NSHDSACASA-N 268.763 3.503 30 20 CHED C=CCC[C@H](NCc1nnc(C)n1CCC)c1ccccc1 180051534 YJIYCRFEAPQQQK-KRWDZBQOSA-N 298.434 3.794 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N[C@](C)(C#N)C(C)C 123062420 XAYIHPRVHFWYOH-OQRGYWNNSA-N 290.794 3.798 30 20 CHED CCCCCN(C(=O)c1sccc1C#N)C(C)C 128066248 ZKCRFQOTWRBWOQ-UHFFFAOYSA-N 264.394 3.661 30 20 CHED N#C[C@H](CCc1ccccc1)c1nc(C2CCCC2)no1 417265006 YEBWPTBFFOHYQP-HNNXBMFYSA-N 281.359 3.967 30 20 CHED CC[C@H](C#N)NC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 121407252 CEDWCJUKGKKGPR-XHSDSOJGSA-N 294.439 3.560 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Cc1cccs1 79840180 IUEIPOWHHFLSCW-UHFFFAOYSA-N 289.375 3.645 30 20 CHED CCOc1ccccc1N(C)C(=O)c1cccc(C#N)c1C 509283302 SLGAUEUNWDAQLR-UHFFFAOYSA-N 294.354 3.542 30 20 CHED CCOC(=O)Nc1ccc(NCc2cccc(C#N)c2)cc1 78975594 RSUJXECDIUTAJK-UHFFFAOYSA-N 295.342 3.739 30 20 CHED Cc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)s1 78380099 KNEHUNYWZRPGDU-UHFFFAOYSA-N 288.347 3.756 30 20 CHED C=C(C)[C@@H](NC(=O)NC1CCCC1)c1ccc(F)c(F)c1 186957642 LFROQNLNVKMOHW-OAHLLOKOSA-N 294.345 3.824 30 20 CHED CCC[C@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)C(C)C 182059240 GFWLZCOSAHSRHQ-KBPBESRZSA-N 288.391 3.988 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc(F)c(F)c1F 78732615 JVFFLBXWOOILAJ-UHFFFAOYSA-N 298.308 3.506 30 20 CHED CCCCCCCN[C@H](C)c1nc(C(C)(C)C)no1 185141362 CVFYSOFUARDCGF-GFCCVEGCSA-N 267.417 3.988 30 20 CHED C[C@@H](CC(F)F)C(=O)N[C@@H](CCCC#N)c1ccccc1 412368125 USCVGAFAHJEVES-JSGCOSHPSA-N 294.345 3.829 30 20 CHED C[C@@H]1CC(C)(C)CN1c1cc(C(F)(F)F)cnc1C#N 413564228 TZSNSNLMUICJMR-SECBINFHSA-N 283.297 3.597 30 20 CHED C[C@@H](SCC(=O)C(C)(C)C)c1cccc(C#N)c1 189853911 MRZYKMWNHSTHQE-LLVKDONJSA-N 261.390 3.968 30 20 CHED Cc1cc(CNc2ccc(CN(C)C)cc2F)ccc1C#N 414493143 BMIRIRJHRKRHRM-UHFFFAOYSA-N 297.377 3.680 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c2c1CCC2 410669193 BZZZKVRKOSYALX-SFHVURJKSA-N 284.403 3.542 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)c2cc(C#N)ccc2Cl)C1 505402943 LKEUSPZGCPJXTJ-WCQYABFASA-N 290.794 3.862 30 20 CHED COc1ccsc1CN[C@H]1CCCc2cc(C#N)ccc21 418151378 XCCNBMQEGSZDIE-HNNXBMFYSA-N 298.411 3.796 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 44464616 QADWJQIEIWUOGP-NWDGAFQWSA-N 277.330 3.780 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C#N)cc1F 72693012 NMFQEGBOTZMVRQ-UHFFFAOYSA-N 287.382 3.849 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)COC2 1345842725 OFOSWOMKDHNKPJ-MRXNPFEDSA-N 286.375 3.679 30 20 CHED Cc1cccc2c1CCN2Cc1cc(C#N)ccc1F 49492211 DJAVGKVXUDRXPA-UHFFFAOYSA-N 266.319 3.569 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 44816644 VOPXHHASXGGLOM-OLZOCXBDSA-N 296.292 3.865 30 20 CHED N#Cc1cnc(N2CC3(CCC3)[C@H]2c2ccccc2)c(F)c1 413293120 GTVKSXFMMVDYOY-MRXNPFEDSA-N 293.345 3.824 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1cccc(OC(C)C)c1 44099424 ICBGFAGVCSAJAH-ZDUSSCGKSA-N 292.448 3.575 30 20 CHED C=CCSCCNC(=O)[C@H](C)c1ccc2ccccc2c1 84588672 OVWPTHPFQNPPBK-CQSZACIVSA-N 299.439 3.979 30 20 CHED C[C@@H]1CCN(c2cccc(Br)c2C#N)[C@@H]1C 380733271 KOFQBRZJDIDHCV-NXEZZACHSA-N 279.181 3.555 30 20 CHED N#CCOc1cccc(NC(=O)CC2CCCCCC2)c1 135801818 GKHCMGBWPWTHJS-UHFFFAOYSA-N 286.375 3.888 30 20 CHED N#CCN(C(=O)CCc1ccccc1Cl)c1ccccc1 194954167 LEIGMUVUEAKLPT-UHFFFAOYSA-N 298.773 3.829 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C1CCC1 130499967 VLWVRKXMYDBAKZ-CQSZACIVSA-N 299.418 3.668 30 20 CHED C=CCOc1cccc(NC(=O)N2[C@@H](C)CC[C@H]2C)c1 135541741 PJKKOWDOVORKIU-BETUJISGSA-N 274.364 3.656 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 425126240 HOLXAPUNDZYRMZ-GJZGRUSLSA-N 292.382 3.881 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 331395795 BWPTXXVPASJDAY-RBSFLKMASA-N 291.439 3.536 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)C1CCSCC1 614633751 AMMBBXFIVQWECS-QWHCGFSZSA-N 274.433 3.741 30 20 CHED N#C[C@@H](COC(=O)c1ccc(Cl)o1)Cc1cccs1 89303088 VIGJZECAVPFWCA-VIFPVBQESA-N 295.747 3.534 30 20 CHED Cc1cc(C(F)(F)F)c(C#N)c(SCC2(C#N)CC2)n1 331903650 CDTGRNWGYNKGJJ-UHFFFAOYSA-N 297.305 3.676 30 20 CHED CC(=O)c1ccc(C)cc1OCCOc1ccccc1C#N 193697232 QPLRTOBFWRSUOZ-UHFFFAOYSA-N 295.338 3.527 30 20 CHED N#C[C@H]1CC[C@@H](N=c2[nH]c3cc(Cl)cc(Cl)c3o2)C1 425269943 DVNRXQRJHZXRLH-IONNQARKSA-N 296.157 3.661 30 20 CHED CCc1nc(N=C(O)c2cncnc2C(C)C)sc1C 330494322 SKKITBDHQRHEOD-UHFFFAOYSA-N 290.392 3.564 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@H](O)C1CCCCC1 511380283 RIALKFZQFDHTFC-HNNXBMFYSA-N 278.783 3.565 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCCc3sccc32)C1 193295609 HIZNBTUJCKCVQQ-OUCADQQQSA-N 260.406 3.797 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2cccc(C#N)c2F)C1 335959095 FLMUNCZNZZIRCN-CXAGYDPISA-N 295.361 3.675 30 20 CHED CCO[C@H](C/N=C/c1cc(OC)ccc1O)c1ccccc1 194515915 ILKLAXKHQKCJBR-LSCADSNKSA-N 299.370 3.598 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)Cc1ccccc1C 190760795 OKVCFERACWATEV-RHSMWYFYSA-N 259.393 3.645 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(C1CC1)C1CC1 425638394 MZCQQDWAGNDOOH-GFCCVEGCSA-N 282.387 3.514 30 20 CHED CC(C)(CCC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424963301 CWIFXCSVKJTTAB-GOEBONIOSA-N 284.403 3.553 30 20 CHED C=C[C@@H]1CCCCN1Cc1cccc(OCCCC#N)c1 426551834 HUMSYMNEWUKBCT-QGZVFWFLSA-N 284.403 3.910 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)C(C2CC2)C2CC2)cc1 92704017 RTTQKOOBVSMZSY-ZDUSSCGKSA-N 284.403 3.598 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 617782838 NIMOWXVFOHLSOK-NSHDSACASA-N 281.758 3.907 30 20 CHED C=C(C)CNCc1cn(-c2ccccc2)nc1C(C)(C)C 512343114 NOMVJJUIEPDLBN-UHFFFAOYSA-N 283.419 3.836 30 20 CHED CSc1ccc(N(C)C(=O)c2ccc(C#N)s2)cc1 336097322 QSBQPMNMUCBMBS-UHFFFAOYSA-N 288.397 3.618 30 20 CHED Cc1ccc(F)c(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 335698405 WQBSXQFREADTTI-UHFFFAOYSA-N 294.329 3.676 30 20 CHED Cc1cccc2c1CN(CC(C)(C)CCC#N)CC2 433049311 SOKRVSSNCVGYFT-UHFFFAOYSA-N 256.393 3.683 30 20 CHED CC(C)[C@H]1N(C(=O)c2cc(C#N)cs2)CC12CCCC2 334769597 GERHCBPRIDAFEU-CQSZACIVSA-N 288.416 3.661 30 20 CHED C=CCCN1CCC[C@H]1c1ccc(Br)cn1 339174667 WAVWVADOEDSFNS-ZDUSSCGKSA-N 281.197 3.557 30 20 CHED C[C@@H](CC#N)N(C)Cc1cnc(C2CCCC2)s1 93090574 PRMIOOZYVGXYQA-NSHDSACASA-N 263.410 3.535 30 20 CHED N#Cc1c(Cl)nsc1N1CCS[C@H]2CCCC[C@H]21 92670724 RMDCDCCOZJATDO-ZJUUUORDSA-N 299.852 3.533 30 20 CHED Cc1ccnc(CNc2ccccc2S[C@@H](C)CC#N)n1 339409289 FZJFVZKOLGIDEK-ZDUSSCGKSA-N 298.415 3.791 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCC[C@@H]1C 431722867 AZSVYNYUYQETCH-WFASDCNBSA-N 285.391 3.815 30 20 CHED C=CCC[C@@H](NC[C@H](c1ccccc1)N(C)C)C1CC1 439086087 PHMMIKIQQCBECB-QZTJIDSGSA-N 272.436 3.624 30 20 CHED C=CCN1CC[C@@H](S[C@H]2CCCc3ccccc32)C1=O 347693817 GKGKDKIKAPOZFK-JKSUJKDBSA-N 287.428 3.584 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 246186039 KACGIAVYVYSCPW-KZNAEPCWSA-N 281.399 3.599 30 20 CHED Cn1ccc2cccc(NCc3ccc(CC#N)cc3)c21 349190144 JLBCGZYZTKIQJR-UHFFFAOYSA-N 275.355 3.856 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 340149478 ADWSQIBPCRGFLO-UHFFFAOYSA-N 295.342 3.707 30 20 CHED COCc1ccc(NC(=O)C(C)(C)C(C)(C)C)cc1C#N 529813715 ANNHOOCUFPYZPN-UHFFFAOYSA-N 288.391 3.715 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCC1(CO)CC(c2ccccc2)C1 433092288 OAYVOULJBYOFNS-FDCMFXBMSA-N 287.447 3.733 30 20 CHED COc1ccc(N(CC(C)C)C(=O)CC(C)(C)C#N)cc1 345912526 RRXPZNHHYWERFM-UHFFFAOYSA-N 288.391 3.624 30 20 CHED N#Cc1cccc(F)c1CC(=O)Nc1cccc(Cl)c1 349038899 CUDSRBAXKSGWFA-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(C#N)c1 524534894 OUCDXPOXZVANCF-IAGOWNOFSA-N 299.418 3.716 30 20 CHED N#Cc1c(COc2cccc3cccnc23)cn2ccccc12 344686843 CBTHASBGSMUODL-UHFFFAOYSA-N 299.333 3.938 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2cccc3ccccc23)o1 255903482 DRZNIBQRRBLQLL-UHFFFAOYSA-N 296.282 3.892 30 20 CHED Cc1ccc([C@@H](NCCC#N)c2ccccc2)cc1 341797648 FWMMDILUZZYFAE-KRWDZBQOSA-N 250.345 3.588 30 20 CHED CCc1c(C(=O)/C=C\c2ccnn2C)oc2ccccc12 255360851 SSUPAPRXTORDAI-HJWRWDBZSA-N 280.327 3.625 30 20 CHED C=CCC(C)(C)CNC(=O)NCCCOC1CCCCC1 432113327 GNXJCUOSKSPUHC-UHFFFAOYSA-N 296.455 3.627 30 20 CHED COc1cccc(/C=N\C[C@@H](C)Oc2ccc(C)cc2)c1O 255660123 AGPFKKCQMSDNCE-VCRXTVNUSA-N 299.370 3.596 30 20 CHED CCO[C@H]1C[C@H](N(C)Cc2ccc(CC#N)cc2)C12CCC2 343565317 HGYONZQPUIGLKI-ROUUACIJSA-N 298.430 3.532 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)s1 606442798 HCOFMERQANGYHI-HYXAFXHYSA-N 286.352 3.724 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@@H]1CCCC 524118787 KNGAVAFOEVTITC-GJZGRUSLSA-N 266.429 3.953 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)n1 602636713 ZLVLOJRMSVDPRM-IAGOWNOFSA-N 291.398 3.769 30 20 CHED C=CCN(C(=O)[C@@H](C)c1cc2ccccc2o1)C1CC1 357496594 QUDYAWBLNOYAOO-LBPRGKRZSA-N 269.344 3.713 30 20 CHED COCCOc1ccc(/C=C\C(=O)c2occc2C)cc1 255476926 KKMBZPJPNBXMSX-YVMONPNESA-N 286.327 3.509 30 20 CHED N#CCC1CCN(CCSc2ccccc2F)CC1 543809410 NDFZAWOADKUOMA-UHFFFAOYSA-N 278.396 3.543 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 604900795 KNNNZNNRFGERMP-QUSNUVHPSA-N 290.451 3.951 30 20 CHED C=CC[C@H](CO)CNCc1cccc(Oc2ccccc2)c1 538122603 JJZGURVPWAZMTN-KRWDZBQOSA-N 297.398 3.753 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 268293272 FAIJRBXTBKZOKI-WBMJQRKESA-N 284.384 3.586 30 20 CHED CCCN(CC)C[C@H](C)N[C@H](CC)c1ccc(C#N)cc1 353481924 LDWHVRWTRMSEOE-MAUKXSAKSA-N 287.451 3.719 30 20 CHED C=CCOc1cccc(CN(CC(F)F)C(C)C)c1 537698040 RUWPFYWPHSNYJX-UHFFFAOYSA-N 269.335 3.727 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NCc1ccnc(C#N)c1 617226371 FRQBELCYWSYBRH-RDJZCZTQSA-N 271.408 3.648 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)no2)C1 617786101 UVWDLMLCSKLIIP-AWEZNQCLSA-N 296.370 3.770 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C1=C(c2ccccc2)CCC1 448726106 RUGBHQJOXPZJQK-AWEZNQCLSA-N 282.387 3.632 30 20 CHED COC[C@@H](CC(C)C)N[C@@H](CCC#N)c1ccccc1 358330503 QIGDVAVKRAPQLY-SJORKVTESA-N 274.408 3.682 30 20 CHED CN(C)c1nc2ccc(NC3CCC(C)(C#N)CC3)cc2o1 449194182 OUTWARBKRLLFGM-UHFFFAOYSA-N 298.390 3.778 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)Cc1ccc(Cl)cc1Cl 267257625 PNQHSGJDSJWBTH-LBPRGKRZSA-N 299.201 3.590 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@H](C)C(=O)c2ccccc2)C1 617783825 HQRIUKSMSFZOHZ-CVEARBPZSA-N 299.414 3.710 30 20 CHED Cc1cc(F)cc(NC(=O)NCC(C)(C)CCC#N)c1 350159801 RTBUPOIDGUNZDT-UHFFFAOYSA-N 277.343 3.586 30 20 CHED CCC[C@]1(C(=O)OCC)CCCN1CCCC(C)(C)C#N 444780559 NETBQOXDJTYXRW-QGZVFWFLSA-N 294.439 3.514 30 20 CHED C=CCc1cc(CN2C[C@@H](C)C[C@H]2CC)cc(OC)c1O 536670864 OHJLZADPGQYTRN-XJKSGUPXSA-N 289.419 3.750 30 20 CHED C=C1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 264461391 KLCAORUEFGMYER-UHFFFAOYSA-N 299.201 3.584 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N2CCc3ccc(C#N)cc32)C1(C)C 611139794 UXQZFCBZBHSBSH-RDJZCZTQSA-N 294.398 3.686 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 539919290 FMTXEXVVVAECCA-CORIIIEPSA-N 295.386 3.507 30 20 CHED Cc1ccc(-c2n[nH]cc2CN2CCC[C@@](C)(C#N)C2)cc1 612407178 ZTBCNVOUPXFUJL-SFHVURJKSA-N 294.402 3.511 30 20 CHED C=CCCC1(C(=O)Nc2ccccc2CCOC)CC1 361903366 ADHZJTXSIBSBNS-UHFFFAOYSA-N 273.376 3.560 30 20 CHED C=C(C)CN1CCC(NC2CCc3ccccc3CC2)CC1 453093171 FJSAHVXYJQJYQO-UHFFFAOYSA-N 298.474 3.564 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(CCCC(C)(C)C#N)C1 363830503 UVMMUXJHPGVVGE-GOEBONIOSA-N 271.408 3.794 30 20 CHED Cc1ccccc1[C@H](NC(=O)NCCCC#N)C(C)(C)C 273165885 DGCLSEJXGLKGEG-HNNXBMFYSA-N 287.407 3.685 30 20 CHED Cc1cccc2c(N(C)CCC3CC3)c(C#N)cnc12 610958191 UBGZRJZDWNXJLH-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(SC)cc1OC 455270928 HVXNZBOIPALNJB-UHFFFAOYSA-N 280.393 3.505 30 20 CHED CCC[C@@H](C(=O)N(C)c1ccc(C#N)cc1F)C(C)C 611205826 LLHHQPWGNRXQCN-CYBMUJFWSA-N 276.355 3.732 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCCc2sccc21)OCC 274304301 GEPIJLXYWSHKQR-KGLIPLIRSA-N 293.432 3.613 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2CCCC2(F)F)c1 450736475 IOIHPRSVOFUXML-CYBMUJFWSA-N 278.302 3.608 30 20 CHED C=C(CC)CNC(=O)c1cc(OC)c(C(C)C)c(OC)c1 456813494 QKNQDYARIJSVFE-UHFFFAOYSA-N 291.391 3.523 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1 279002838 MMWBEGXOZOEQHT-CHWSQXEVSA-N 290.750 3.839 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC[C@@H]1c1ccsc1 459256074 HXFNCSKNONUUHL-CYBMUJFWSA-N 291.420 3.534 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1cccc(C2CCC2)c1 455471303 DESGNYHITQXNTC-UHFFFAOYSA-N 285.391 3.968 30 20 CHED CC(C)(C#N)CCN1CCC(c2ccsc2)CC1 275046884 ZTFCQPDWTFBOTE-UHFFFAOYSA-N 262.422 3.867 30 20 CHED C=CCCSCc1nc(Cc2cccc(F)c2)no1 549558608 LBLHEMXTDJAOPY-UHFFFAOYSA-N 278.352 3.609 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 455326087 OGNFFHVADCHXAQ-DOTOQJQBSA-N 286.419 3.849 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC=C(C(C)(C)C)CC2)c1 544393267 DMMZSWWSDBMXLA-UHFFFAOYSA-N 282.387 3.943 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1CCCC1(F)F)c1ccccc1 452813829 PYEISHQKDZSLMS-UKRRQHHQSA-N 293.357 3.898 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H](COc2ccccc2)C1 272654045 ZYQFEJBMWNKIKP-MRXNPFEDSA-N 286.419 3.717 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(-c2ncco2)c1C 455530745 MUUVGCGIEBSPHH-UHFFFAOYSA-N 299.374 3.984 30 20 CHED C=CCC[C@H](CC)NCc1nnc(C(C)(C)C)s1 271544521 UUHIXRCLBPXJKX-NSHDSACASA-N 267.442 3.670 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc(CO)c1 271961995 LUAORYLOENQTTE-HNAYVOBHSA-N 294.398 3.875 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C(C)(F)F)nc1 450428252 VTJLEONKMOOPGX-LLVKDONJSA-N 282.334 3.668 30 20 CHED CCC[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1 540987991 DOXZNILMGVMCNV-KRWDZBQOSA-N 299.418 3.863 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Nc1cccc2cc[nH]c12 548489815 KDDULMRPCPHNPG-UHFFFAOYSA-N 290.326 3.992 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(C)cc2F)no1)OCC 278234707 XWFRWROSTIEUFT-AWEZNQCLSA-N 290.338 3.708 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 274358486 MNLXPZNZXYATCC-RISCZKNCSA-N 284.325 3.918 30 20 CHED O=C(/C=C\c1cccnc1)c1ccccc1C(F)(F)F 207089537 IPQWJVFPUUNHNT-FPLPWBNLSA-N 277.245 3.997 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCCCCC1 460952223 ODRGWTJAILEHLV-AWEZNQCLSA-N 276.428 3.748 30 20 CHED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)[C@H](C)C(C)C 463675872 BQAIAKRTPWUKFU-UONOGXRCSA-N 272.392 3.555 30 20 CHED CC(C)[C@H](C)N(C(=O)[C@H](C)c1cccc(C#N)c1)C1CC1 463394287 QIEGDMGNNYTIRP-KGLIPLIRSA-N 284.403 3.697 30 20 CHED C=CCC[C@H](C)NCc1c(F)cccc1SC 552323709 OZWRQVGTJISULS-NSHDSACASA-N 253.386 3.992 30 20 CHED N#CCOc1cccc(NC(=O)C(C2CCC2)C2CCC2)c1 285006089 GCIKHWFWBGOPGJ-UHFFFAOYSA-N 298.386 3.744 30 20 CHED CC(C)C[C@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CCO1 286555132 QMCGHFGKUZSEQX-ZJUUUORDSA-N 299.827 3.674 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/Oc2cc(F)ccc2C1=O 373041817 INHMSTKWKUFMSE-GIDUJCDVSA-N 286.306 3.528 30 20 CHED N#CCN(Cc1cc(-c2ccccc2)on1)C1CCCC1 284865382 DLWBGQLUUIFMOI-UHFFFAOYSA-N 281.359 3.610 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](CC)Oc1cccc(C)c1 466534940 UYGJMYKGGKQONQ-ZBFHGGJFSA-N 275.392 3.623 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 284969461 BEBLARSOFCTXJB-GOSISDBHSA-N 299.418 3.551 30 20 CHED C=CCCC[C@@H](C)Nc1cnn(C(C)(C)C)c(=O)c1Cl 553157243 XWZSCRUKQQUEDG-LLVKDONJSA-N 297.830 3.808 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(C#N)CC)cc1 285157864 QQXOPLZRVISBRO-LRDDRELGSA-N 274.364 3.742 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2oc(C)c(C)c2c1 556257621 ZMLRCRIRZZBEEU-HIFRSBDPSA-N 285.343 3.579 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 552410405 XWFXQSKIOHFPLX-IFXJQAMLSA-N 298.430 3.898 30 20 CHED CC#CCCSCc1ccc(Cl)cc1-n1cncn1 479627876 SMBGCNMEWPAUEB-UHFFFAOYSA-N 291.807 3.567 30 20 CHED C[C@@H](C(=O)Nc1sc(C(C)(C)C)cc1C#N)C1CC1 297642586 CXDBLEDPLXRULE-SECBINFHSA-N 276.405 3.902 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1cc(C#N)cs1)C2=O 809156906 OWXGDIQXUYAVFO-BJMVGYQFSA-N 299.326 3.590 30 20 CHED C#CCCCCC(=O)Nc1cnn(CC(C)C)c1C1CC1 807724637 BVVIWTXVARCMTM-UHFFFAOYSA-N 287.407 3.549 30 20 CHED Cc1cc(C)c(OC(=O)CCCCCC#N)c([N+](=O)[O-])c1 808023266 DDFWZBRLIKORBR-UHFFFAOYSA-N 290.319 3.591 30 20 CHED Cc1cc(Cl)c(NC(=O)N(C)C[C@@H](C)C#N)cc1C 297447778 QELWUMQRGMXXQG-VIFPVBQESA-N 279.771 3.580 30 20 CHED C#Cc1cncc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 806425036 SEWPGUIEOLAVJB-LBPRGKRZSA-N 298.773 3.550 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(F)ccc2Cl)C1 293836537 XKVLPAZGEUNOIS-ZUZCIYMTSA-N 294.757 3.681 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1cn(C)c(C)n1 800813898 DJAYSSLOSFBNOE-UHFFFAOYSA-N 297.189 3.871 30 20 CHED CCN(CC#N)Cc1csc(Nc2ccc(C)cc2)n1 299519996 HPQMGRCDEYJMIO-UHFFFAOYSA-N 286.404 3.541 30 20 CHED N#Cc1c(F)cccc1C(=O)O[C@H]1C[C@@H](c2ccccc2)C1 809103373 IWMHVLMDHIYNBE-OKILXGFUSA-N 295.313 3.800 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccc(Cl)cc1)C(C)C 472772697 PCTAYBODSIOCPA-JKSUJKDBSA-N 281.827 3.954 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 471592707 GFVKTOINOUITLI-GKLJAUDBSA-N 254.377 3.592 30 20 CHED C=C(C)COc1cccc(NC(=O)NCCC2(C)CC2)c1 471278789 VAFSZUCLQDZODE-UHFFFAOYSA-N 288.391 3.953 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2ccc(F)cc2F)c1 806559804 FSLHJFCYUTXPTP-ALCCZGGFSA-N 288.249 3.559 30 20 CHED C=CCCCC[C@@H](C)Nc1cnc2c(c1)COCC2 648495620 NAMCDAZYWYGFCQ-CYBMUJFWSA-N 260.381 3.701 30 20 CHED CCC(CC)N(CC)Cc1ccc(O[C@H](C)C#N)cc1 809788019 LKKBBJHYLSCUBX-CQSZACIVSA-N 274.408 3.988 30 20 CHED CC[C@@H](CC(=O)Nc1cccc(C#N)n1)c1ccc(C)cc1 565009660 MLANFZDCRYSYNB-AWEZNQCLSA-N 293.370 3.784 30 20 CHED C=CCC(F)(F)c1nc([C@H](C)c2cccc(OC)c2)no1 645534586 AFMKDKYGBUHJMJ-SNVBAGLBSA-N 294.301 3.898 30 20 CHED C=CC[C@@H](C(=O)N(C)c1ncccc1C)c1ccccc1 471295088 GIIRHLJUALZXHE-MRXNPFEDSA-N 280.371 3.713 30 20 CHED C=CCCCCNCc1cccc(OC)c1OC(C)C 472036092 BOYZFFQUKSXXIX-UHFFFAOYSA-N 277.408 3.928 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccsc2)cc1 800889748 WNONSFDJKAXZTL-STQMWFEESA-N 286.400 3.890 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H](C)C(CC)CC)cc1 560709494 GENOUIHWABWLJS-CQSZACIVSA-N 289.419 3.940 30 20 CHED CC#CCCNC(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 483424056 VHCINDGSCRTANK-ROUUACIJSA-N 298.430 3.686 30 20 CHED C[C@@H]1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)[C@H](C)C1 567370230 GEESNFNPRRKTNO-OSLDLMBLSA-N 268.404 3.960 30 20 CHED Cc1cc2c(cc1C)C(=NNc1cccc(Cl)n1)CO2 814939736 YUUCHPOUGJOPJH-UHFFFAOYSA-N 287.750 3.560 30 20 CHED CC(CCc1ccc(C)cc1)=NOCCOC(C)C 812237592 IANXXCQTVFVQCE-UHFFFAOYSA-N 263.381 3.745 30 20 CHED N#CC1(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 481204778 UVPYZBWLCHVSKP-SJORKVTESA-N 268.404 3.681 30 20 CHED C=CCn1cccc1C(=O)N(CC)CC(CC)CC 488505761 NCJZHLHQDKDWBZ-UHFFFAOYSA-N 262.397 3.572 30 20 CHED CCCCCCCCCN(C)C(=O)c1sc(N)nc1C 818501851 SDFFDADCCCELNB-UHFFFAOYSA-N 297.468 3.856 30 20 CHED N#C[C@H](C(=O)C1(F)CCCCC1)c1nc2ccccc2o1 810536677 SOIHPTCDUGAJFT-LLVKDONJSA-N 286.306 3.676 30 20 CHED Cc1cc(F)c(C=NOCCC(F)(F)F)c(F)c1 819809181 AYQHMYSRMKBTQK-UHFFFAOYSA-N 267.197 3.576 30 20 CHED C=CCN(CC=C)C(=O)CCCc1ccccc1Cl 571487757 BATSCEGWPGTBJB-UHFFFAOYSA-N 277.795 3.863 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1[C@H](C)CCC 815830467 CFUWHAZYEWMKCR-VXGBXAGGSA-N 259.340 3.625 30 20 CHED C=CCCCCCCCNC(=O)c1cnc(C)s1 811590748 ISGAJQAYMCKSNF-UHFFFAOYSA-N 266.410 3.708 30 20 CHED Cl/C=C\CON=Cc1cccc(-c2ccccn2)c1 811670505 UGPDJTLONYOGOP-PVLKGITGSA-N 272.735 3.852 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C#N)c2ccccc2n1 577657793 IMYVGIUUOHOVGX-UHFFFAOYSA-N 291.354 3.813 30 20 CHED C=CCC(CC=C)c1nc([C@@H]2CCOC(C)(C)C2)no1 651443701 ICBMWXJVKGFEPT-CYBMUJFWSA-N 276.380 3.978 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1OC(F)(F)F 814862198 DXGYHXCLTNBULL-UHFFFAOYSA-N 295.207 3.735 30 20 CHED CC(=NNc1ccccc1F)[C@H](C)CCCCC(=O)O 814789666 LWWFRQCIFOPYJL-LLVKDONJSA-N 280.343 3.895 30 20 CHED C=C[C@@H](CC(=O)OCCC1CCOCC1)c1ccccc1 814462750 HTBYCZYMRADRCQ-INIZCTEOSA-N 288.387 3.706 30 20 CHED Clc1cccc(N2CCCC2)c1C=NOCC1CC1 814245029 QFDPQOJITBSGMQ-UHFFFAOYSA-N 278.783 3.701 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572820075 JHNDOGRXCJZBNX-QXBKKUCYSA-N 296.414 3.603 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/C1=Cc3ccccc3OC1)C2 811695229 AVHMZOUCDWKUEO-CAOOACKPSA-N 299.329 3.699 30 20 CHED N#Cc1c(F)cccc1/C=C1\Cc2cc(F)ccc2C1=O 811690943 HSHNDSSAYZQWMZ-WUXMJOGZSA-N 281.261 3.659 30 20 CHED Oc1ccc(Cl)cc1/C=N/Cc1cc(F)ccc1F 729641506 KNUTWBGWCPRWHH-QGMBQPNBSA-N 281.689 3.943 30 20 CHED CCCc1ccc(C(=O)/C=C\c2ccc(C(=O)O)[nH]2)cc1 829566064 BRAAKUIGHHXPSO-LUAWRHEFSA-N 283.327 3.562 30 20 CHED C=CCCc1nc(Cc2cccc(OC(F)(F)F)c2)no1 650631887 RIHGMZFLYWGJMY-UHFFFAOYSA-N 298.264 3.678 30 20 CHED C=CCCCCCNC(=O)N(Cc1cccnc1)C(C)C 578762786 DVBVFUMHDOLZRH-UHFFFAOYSA-N 289.423 3.748 30 20 CHED Cc1ccc(C(=O)[C@@H](C)Sc2ccc(C#N)cn2)cc1C 498143187 BVMQAHSDVZURJP-CYBMUJFWSA-N 296.395 3.934 30 20 CHED Cc1ccc(C2CC(=NNc3ccc(Cl)nn3)C2)cc1 729818108 GZHVAEIAWMELNR-UHFFFAOYSA-N 286.766 3.784 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C(/C)C2CC2)c1 727330618 OIQCHTVHMKQGKM-LCYFTJDESA-N 271.360 3.936 30 20 CHED N#CCCCCCc1nc(-c2cccc(F)c2)no1 588321344 IBWJBLMFQPMXTM-UHFFFAOYSA-N 259.284 3.502 30 20 CHED O=C(/C=C/c1cccc(OC2CCCC2)c1)c1ncco1 901519704 RIFSTQZYSQQNJE-CMDGGOBGSA-N 283.327 3.892 30 20 CHED CC(C)CCc1ccc(NC(=O)NCC2(C#N)CC2)cc1 581472660 LYFSBLVCIWCLON-UHFFFAOYSA-N 285.391 3.700 30 20 CHED CC#CCCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F 498604581 IPFGNBINXPQQDZ-UHFFFAOYSA-N 295.357 3.944 30 20 CHED Cc1ccc(CC(=O)N[C@@](C)(C#N)C(C)(C)C)cc1Cl 904181493 PKIGEFSVWPZLLN-INIZCTEOSA-N 292.810 3.636 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc2c(c1)CC[C@H]2N(C)C 821733698 XBCFJFUPCBKGON-SUMWQHHRSA-N 286.419 3.776 30 20 CHED C#CCOc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 730976645 WDIITZDEQQSSLR-UHFFFAOYSA-N 297.379 3.501 30 20 CHED N#CC1(CN[C@@H]2CCCc3c2[nH]c2ccc(F)cc32)CC1 903108594 FASNEKIADCXQPL-OAHLLOKOSA-N 283.350 3.578 30 20 CHED C[C@H]1CN(Cc2ccc(OCC#N)cc2)Cc2ccccc21 731210210 DFPGYPWKIOBEHZ-HNNXBMFYSA-N 292.382 3.708 30 20 CHED C=CCC(C)(C)C(=O)NCc1cn(CCCCC)nc1C 495417378 WXRFLEYJXVEJFN-UHFFFAOYSA-N 291.439 3.600 30 20 CHED Cc1oc(-c2cccs2)nc1C=NOCC(F)(F)F 905455963 PMYRUXWDLSPHFY-UHFFFAOYSA-N 290.266 3.624 30 20 CHED CC[C@@H](NC[C@@H](CCO)CC(C)C)c1cccc(C#N)c1 902827856 QLQNQVGQDJDRNS-FUHWJXTLSA-N 288.435 3.644 30 20 CHED CS[C@@H](C)CCOC(=O)c1ccc(C(C)(C)C#N)cc1 835665565 GBOAYJOFLDEKBY-LBPRGKRZSA-N 291.416 3.786 30 20 CHED Cc1cc(/C=C2/COc3ccc(F)cc3C2=O)ccc1F 731565537 SNHZJVZFSVVLDA-GHXNOFRVSA-N 286.277 3.932 30 20 CHED C#CCCOc1ccc(CNCCCC(C)C)cc1 733322138 ABNOGVWOBCYGAD-UHFFFAOYSA-N 259.393 3.615 30 20 CHED C=C[C@H](CC(=O)OC[C@@H](C)SC)c1ccccc1 835686695 ZAZAUIYKLLYYMM-CHWSQXEVSA-N 264.390 3.641 30 20 CHED C#C[C@@H](NC(=O)/C=C(\C)CC)c1ccc(Cl)cc1F 832374276 LKXQVZJMJYUFBF-QSYFUGGGSA-N 279.742 3.626 30 20 CHED CCOc1cccc(C(=O)/C=C/c2conc2CC)c1 834421641 SRRJODAKCUAFIS-CMDGGOBGSA-N 271.316 3.532 30 20 CHED Cc1cc(NN=Cc2ccccc2OC2CCCC2)ncn1 731935320 UEWQRPMFVZDPCA-UHFFFAOYSA-N 296.374 3.552 30 20 CHED C[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 838470007 MRDFDAIJZNHQOA-UJNFCWOMSA-N 284.142 3.552 30 20 CHED N#Cc1c(Cl)nsc1N[C@H]1CSc2ccccc21 735489615 IGWPRKKXALYWBB-VIFPVBQESA-N 293.804 3.927 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)CCCCCC#N 588165437 PCTSVIFSGARKSC-CQSZACIVSA-N 264.413 3.936 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 735535660 KAVIRJUFHMCQQK-GHMZBOCLSA-N 266.287 3.578 30 20 CHED C=C(CNC(=O)c1c(F)ccc(C)c1F)c1ccccc1 673341790 LEQSVGZMAHPNST-UHFFFAOYSA-N 287.309 3.716 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc(COC(C)C)cc1 839035196 UNEGUGVMTKWCPO-AWEZNQCLSA-N 274.360 3.570 30 20 CHED C[C@@H]1CCCCC1=NNC(=S)Nc1ccccc1F 915920605 HBOHLRJLJYUDFA-SNVBAGLBSA-N 279.384 3.678 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1csc(C2CCCCC2)n1 594083951 MRWAMZGYRZERDY-LBPRGKRZSA-N 291.420 3.565 30 20 CHED CC[C@@H](C#N)C(=O)NCc1ccc(-c2cccc(C)c2)cc1 593481569 JJVVNAUPIMUKPG-INIZCTEOSA-N 292.382 3.828 30 20 CHED N#Cc1cccc(SCc2ccccc2C(=O)O)c1 833075483 SKOVTIJEXFFXRC-UHFFFAOYSA-N 269.325 3.549 30 20 CHED CCS[C@H]1CCCCN([C@@H](C#N)c2ccccc2)C1 595312672 LKOPFPXZCJROBS-HOTGVXAUSA-N 274.433 3.859 30 20 CHED COc1ccccc1C=NOCCOc1cc(C)cc(C)c1 914571901 QGPXMJHVFJJERN-UHFFFAOYSA-N 299.370 3.742 30 20 CHED N#Cc1ccc(/C=C2\Cc3c(F)cccc3C2=O)s1 748999358 WFHCHEKCSFAFCZ-RMKNXTFCSA-N 269.300 3.581 30 20 CHED CC(C)(C)C#CC(=O)N1CCC[C@H]1/C=C/c1ccccc1 837521291 AXNPCZDTYLNPFP-FLVLSHQESA-N 281.399 3.740 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](CC)c2ccncc2)c1 741487501 VAVXTECIYOHFHY-INIZCTEOSA-N 295.411 3.501 30 20 CHED CCC[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)C1CCC1 590928126 PYENEKSFTFAKNY-DYVFJYSZSA-N 299.418 3.887 30 20 CHED CCN(C)c1ccc(C(C)=NNc2ccc(C#N)cc2)cc1 748076444 UYVSIZWSZWKSCY-UHFFFAOYSA-N 292.386 3.850 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)C(C)(C)C 846876634 WBAGAFILCZUYNY-KGLIPLIRSA-N 286.419 3.535 30 20 CHED C#C[C@@H](OC(=O)[C@]1(C)CC=CCC1)c1ccccc1 842392363 OLNVGFWLKBZVGH-NVXWUHKLSA-N 254.329 3.651 30 20 CHED Cc1ccc(C=NN[C@H]2CCOC(C)(C)C2)c(Cl)c1 844591404 JJYGUGGQMREMMC-ZDUSSCGKSA-N 280.799 3.530 30 20 CHED C=CCN(C(=O)c1csc(-c2cccs2)n1)C(C)C 914683454 OJNJAQHQRBVPIH-UHFFFAOYSA-N 292.429 3.908 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1OCCC(C)C 594382840 PUHXSEDYCOJFHX-ZDUSSCGKSA-N 274.364 3.600 30 20 CHED C#C[C@H](OC(=O)[C@@H]1CC12CCCC2)c1ccc(F)cc1 842411620 LOSWRENWLLOMMQ-GJZGRUSLSA-N 272.319 3.624 30 20 CHED CCc1ccc([C@@H](C)C(=O)N2CCC[C@@H](CC#N)C2)cc1 597913201 NPTURUYQORIWRN-ZBFHGGJFSA-N 284.403 3.505 30 20 CHED CCOc1ccc(O)c(/C=N\CCc2cccc(F)c2)c1 747715517 JCDQNQRTVQRSKE-UNOMPAQXSA-N 287.334 3.592 30 20 CHED N#Cc1cccc(C(=O)O[C@H]2CCc3ccc(F)cc32)c1 747893819 FDERAHZZCMZYFB-INIZCTEOSA-N 281.286 3.542 30 20 CHED CC(C)(C)Oc1ccc(N[C@H]2COC(C)(C)C2)cc1C#N 841886796 ZDMCRMAAYFJUFB-CQSZACIVSA-N 288.391 3.715 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1CC(C)(C)CC(C)(C)C1 598849892 MXDYZLTVTDAJKG-ZDUSSCGKSA-N 264.413 3.599 30 20 CHED N#CC1(CNCc2cc(-c3ccccc3)ccc2O)CCC1 841898286 LVKWBZHAYQRIIN-UHFFFAOYSA-N 292.382 3.843 30 20 CHED COc1ccc2cc(C=NOCc3cccnc3)ccc2c1 746585333 CCTIBSQMFQEYSN-UHFFFAOYSA-N 292.338 3.794 30 20 CHED CC[C@@H](NC(=O)NCC1(CC#N)CC1)c1cc(C)ccc1C 599048792 OQEWGAMGZXRYOD-MRXNPFEDSA-N 299.418 3.748 30 20 CHED C=C[C@@H](C)ONC(=O)c1ccc(C)c(Cl)c1Cl 846553776 FBNMEWHOYZAERN-MRVPVSSYSA-N 274.147 3.538 30 20 CHED COc1ccc2[nH]cc(CCN[C@@H](C)CC(C)(C)C#N)c2c1 925050730 UXPIPNUTUKIXRO-ZDUSSCGKSA-N 299.418 3.637 30 20 CHED C#CC[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1 757580326 RXBYVBKJKOSQQS-LJQANCHMSA-N 289.378 3.670 30 20 CHED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1ccccc1O 757475252 QTJFBUKXSLYHFN-WAYWQWQTSA-N 278.229 3.706 30 20 CHED C[C@H]1CCCCN1N=Cc1c(O)ccc2ccccc12 853380339 UTMKZBRMLPUZDO-ZDUSSCGKSA-N 268.360 3.754 30 20 CHED Fc1cccc(NN=Cc2ccc(F)cc2F)c1 920383754 KAKKPYQRKSBJDB-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1cccc(Cl)c1 851211054 YUXSXQFVUHNBBT-LLVKDONJSA-N 279.767 3.754 30 20 CHED CCCCCCCNC(=O)NCC1CCC(C#N)CC1 858112695 IIZMKQIOOUQNRC-UHFFFAOYSA-N 279.428 3.586 30 20 CHED C#CCCCCNC(=O)N[C@H](CC)c1ccc(Cl)cc1 758691795 XIXTWQDNVJJRFS-OAHLLOKOSA-N 292.810 3.894 30 20 CHED C[C@H](CC(=O)OCc1cc(F)ccc1C#N)c1ccccc1 759347422 VBNIHLUPTMHHPW-CYBMUJFWSA-N 297.329 3.934 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1(Cl)CC1 926603980 XVWDFIMISWUHNV-XHDPSFHLSA-N 274.795 3.685 30 20 CHED Cc1sc(NC(=O)/C=C2/CC[C@@H](C)C2)c(C#N)c1C 753623539 PURBCOCTSGDJIG-JBBGTMGVSA-N 274.389 3.922 30 20 CHED N#Cc1csc(C(=O)OCc2c(F)cccc2Cl)c1 752585831 AKVIKDANZUKWKC-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C=C[C@H](OC(=O)CCc1scnc1C)c1ccccc1 851451484 IPKOEULZKOAVIO-AWEZNQCLSA-N 287.384 3.855 30 20 CHED C=C1CC(c2noc(-c3cc(Cl)nc(CC)c3)n2)C1 924122713 SQZFVGJGQKEFPC-UHFFFAOYSA-N 275.739 3.781 30 20 CHED CCCC1(C(=O)[C@H](C#N)c2nc3ccccc3o2)CCC1 759538999 PLRCZONRBCZOEW-LBPRGKRZSA-N 282.343 3.974 30 20 CHED C#CCCOC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 859080382 JAOHBCDVDYDAPK-LBPRGKRZSA-N 294.420 3.728 30 20 CHED C#CCCCOC(=O)c1ccccc1CCC(F)(F)F 759251352 IEAKRKWWGDDELE-UHFFFAOYSA-N 284.277 3.752 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C\SCc1ccco1 851209475 LNHGSCCNMVQABP-VFFGBVLKSA-N 293.388 3.898 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1ccccc1 757598217 PAFZVVNDYLEERB-DZGCQCFKSA-N 283.396 3.732 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C/c2cnnn2CC)cc1 863197464 RKLBEBWEPDKBOX-NHAQELONSA-N 283.375 3.708 30 20 CHED C#CCN(C(=O)N[C@H](c1ccccc1C)C(C)(C)C)C1CC1 764736496 PKPSMQQDSOSKIP-QGZVFWFLSA-N 298.430 3.889 30 20 CHED C(C[C@@H]1CCOC1)=NNCc1ccc(-c2ccccc2)cc1 765581096 NDMKGYSKPHOPKI-QGZVFWFLSA-N 294.398 3.856 30 20 CHED COCCON=C1CCCc2c(Cl)sc(Cl)c21 760258687 AAPMDOIYCWEHRT-UHFFFAOYSA-N 294.203 3.758 30 20 CHED FC1(F)CCC(=NNCCCOCc2ccccc2)CC1 863176016 BVCUWBWDFDWQKU-UHFFFAOYSA-N 296.361 3.748 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)ccc1C)c1ccccn1 931982979 VIZMCHJERARZGN-KRWDZBQOSA-N 293.370 3.533 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1C[C@]12CCOC2 763424879 DCEQHVYGDFQHFN-ZOBUZTSGSA-N 281.440 3.526 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(N(C)C)cc1 764435629 RNBFLAUVWYABEJ-CMDGGOBGSA-N 287.384 3.719 30 20 CHED N#Cc1cccc(COC(=O)[C@@H](c2ccccc2)C2CC2)c1 765938856 OEUHNABMENWWRQ-SFHVURJKSA-N 291.350 3.795 30 20 CHED Cc1sc(NC(=O)[C@H](F)c2ccccc2)c(C#N)c1C 769435627 KXSALEATZMVGQV-CYBMUJFWSA-N 288.347 3.886 30 20 CHED COc1cccc2cc(C(C)=NOCC(F)(F)F)oc12 764835271 KBMHRJAQPZMESP-UHFFFAOYSA-N 287.237 3.744 30 20 CHED CCN(CC[C@](C#N)(C(C)=O)c1ccccc1)CC1CCC1 878541885 HOZFACIMMPXFFJ-IBGZPJMESA-N 298.430 3.549 30 20 CHED N#CCc1ccccc1CC(=O)Nc1ccccc1Cl 776729595 XLMOLZPLEMFUBK-UHFFFAOYSA-N 284.746 3.587 30 20 CHED C=C(C)CCN(CC)Cc1cc(Br)ccc1O 775610470 PGBJDMCGJNMRBF-UHFFFAOYSA-N 298.224 3.943 30 20 CHED O=Cc1ccccc1OCC#Cc1cccc(Cl)c1 772828598 ZELMDVNIVKTUAQ-UHFFFAOYSA-N 270.715 3.583 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1cnn(C)c1C 778539494 CVTNFJFERSGGGI-UHFFFAOYSA-N 297.189 3.871 30 20 CHED Cc1cc(CN[C@@H](C)COc2ccccc2F)ccc1C#N 1116800945 NAFJQSSTEHEENJ-AWEZNQCLSA-N 298.361 3.563 30 20 CHED Cc1cccc(OC(=O)C2(C#N)CCCC2)c1Cl 774659948 VXHFNDDTLLJWLY-UHFFFAOYSA-N 263.724 3.638 30 20 CHED C=CCCC[C@@H](C)NC(=S)NC1CCCCC1 776204692 WOVKOXJKTYYIPI-GFCCVEGCSA-N 254.443 3.528 30 20 CHED CC(F)(F)CCC(=O)OCC#Cc1cccc(Cl)c1 773138736 CPPCAAUGZVEGBN-UHFFFAOYSA-N 286.705 3.670 30 20 CHED CC[C@@H]1CCCCC1=NNCc1ccc(C#N)cc1 779781585 DUBWJZAIPGTQIX-OAHLLOKOSA-N 255.365 3.604 30 20 CHED CC(CCCC(F)(F)F)=NO[C@H]1CCCCO1 774396048 XEQIZGKYZKYCNU-JTQLQIEISA-N 253.264 3.638 30 20 CHED C=C1CCC(C(=O)OCc2cc3ccccc3nc2O)CC1 885651821 GKQOZGOVGWJEMI-UHFFFAOYSA-N 297.354 3.730 30 20 CHED C#CCOc1ccc(CNc2cccc3cccnc23)cc1 770477714 ODSBMRVQQBSRNL-UHFFFAOYSA-N 288.350 3.859 30 20 CHED COc1cccc(C=Nc2cccc3cc[nH]c23)c1O 773908264 WXPUKAUKCLGNHW-UHFFFAOYSA-N 266.300 3.633 30 20 CHED O=C(/C=C/c1cnc(C2CCC2)s1)c1cscn1 776193178 OWFIYNMYVIACRE-SNAWJCMRSA-N 276.386 3.763 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C1=CCCCCC1 773974597 YTRFGCOQJPDBBQ-UHFFFAOYSA-N 285.343 3.753 30 20 CHED Cc1ccc2c(c1)C(=NNc1cc(Cl)ccn1)CC2 777905441 HKDFIBYNMUGQTC-UHFFFAOYSA-N 271.751 3.806 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCc1sccc1Cl 1128534243 HMRLDNNRJXLFOU-UHFFFAOYSA-N 291.759 3.939 30 20 CHED Cc1cc(C)cc(/C=C2\Cc3cc(O)ccc3C2=O)c1 780186943 QVMORUJIDXGKDO-OVCLIPMQSA-N 264.324 3.831 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccnc(Cl)c1 782353181 YTULFACJELUHAG-ONEGZZNKSA-N 290.775 3.965 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)c1cccc(C)c1 1124934278 OFLJAVXWZYWXGQ-UHFFFAOYSA-N 282.318 3.673 30 20 CHED C=CC(C)(C)Cc1nnc(N2Cc3ccccc3C2)n1CC 1121664518 WXULCQIUBVWZPO-UHFFFAOYSA-N 296.418 3.573 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)c1cccc(F)n1 1122631966 MIZVRVHVVHBWJD-HIFRSBDPSA-N 296.345 3.899 30 20 CHED C=C1CCC(C(=O)O[C@@H](C)c2nc(C(C)C)no2)CC1 885653404 MWWVLPBAZFUIEG-NSHDSACASA-N 278.352 3.544 30 20 CHED C=C[C@H]1CCCCN1C(=S)N[C@H](C)c1cccs1 782408962 QVSOSRGQNOPSPQ-NEPJUHHUSA-N 280.462 3.724 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1-c1nncn1C(C)C 1120621170 QDBCMQJJYXEOMD-UHFFFAOYSA-N 298.390 3.821 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C\c1ccccc1 782025785 YZGBLVRTARPZHC-KTKRTIGZSA-N 257.333 3.573 30 20 CHED N#CC1CCC(CNC/C=C/c2cccc(F)c2)CC1 886104671 HXIGXUJNNKQZDK-DUXPYHPUSA-N 272.367 3.758 30 20 CHED C=C(C)CN(CC)CCOc1ccc(Br)cc1 302745700 QHIGXYYNBORTFR-UHFFFAOYSA-N 298.224 3.726 30 20 CHED Cc1ccc(OCC(=O)OCCCC(C)(C)C#N)c(C)c1 781908742 FFYBXEPRAPOQCA-UHFFFAOYSA-N 289.375 3.555 30 20 CHED CCCC(=NNc1ncncc1Cl)c1ccsc1 785463001 ZCNMGGPVSSUZNR-UHFFFAOYSA-N 280.784 3.808 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 786610067 IADYNUKDGHINQM-CYBMUJFWSA-N 282.727 3.789 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccccc2COC)no1 896030300 UFKICVRFMVHBEF-UHFFFAOYSA-N 272.348 3.638 30 20 CHED COc1ccc(NN=C2CCC[C@@H]2c2ccccc2)nc1 780275161 RVTMCKHSSKWKND-OAHLLOKOSA-N 281.359 3.826 30 20 CHED Cc1nccn1CCCCNc1ccc(C#N)c(Cl)c1 78336152 KPWVWMOZHMOOQT-UHFFFAOYSA-N 288.782 3.609 30 20 CHED Fc1cc(NN=Cc2c[nH]c3cc(Cl)ccc23)ccn1 781128628 YUCPMUIZLSNJSI-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C=C1CC(c2noc(-c3ccc(C)c(C(C)=O)c3)n2)C1 896878198 WBAOUSZHQMMVDX-UHFFFAOYSA-N 268.316 3.681 30 20 CHED C=C1CC(c2noc(-c3cc(C)n([C@H](C)C4CC4)n3)n2)C1 896884687 VAAWUFQAFKWJHP-LLVKDONJSA-N 284.363 3.646 30 20 CHED C=CCC[C@@H](C)Nc1cccc([S@](C)(=O)=NC)c1 895736642 QZTSJITZNDASSH-XIKOKIGWSA-N 266.410 3.540 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NNCCC(C)(C)C 782906693 CSFPOQDMINESGR-UHFFFAOYSA-N 286.423 3.897 30 20 CHED C#Cc1cccc(N[C@H]2Cc3[nH]c4ccccc4c3C2)c1 799734571 GLLJECHKLYGOBM-OAHLLOKOSA-N 272.351 3.729 30 20 CHED C=C(CC)CN[C@H]1CCN(Cc2ccccc2)CC1(C)C 390909140 UZPAYBCAYRTTQR-SFHVURJKSA-N 286.463 3.843 30 20 CHED N#Cc1cc(N2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])s1 892129466 WUQCCUQJCVWCEN-LBPRGKRZSA-N 299.355 3.522 30 20 CHED C[C@H](NCCCC#N)c1ccc(F)c(Br)c1 273265568 NTMWOOMLWWJYPL-VIFPVBQESA-N 285.160 3.543 30 20 CHED C[C@]1(C#N)CCCN(C(=O)CCCCc2ccccc2)C1 897374258 NZMYLNUJBLRPPG-GOSISDBHSA-N 284.403 3.552 30 20 CHED Cc1cccc(NN=Cc2ccnn2-c2ccc(F)cc2)c1 794452091 PRFCCJJALQEXKQ-UHFFFAOYSA-N 294.333 3.766 30 20 CHED C=CCc1ccc(OC(=O)C(C)(C)C(F)F)c(OC)c1 791471516 RCIWXCWASLVXCD-UHFFFAOYSA-N 284.302 3.620 30 20 CHED C=C(C)CCOC(=O)CCCC(=O)c1cccc(OC)c1 795995592 DKHCYTOYNFEXGM-UHFFFAOYSA-N 290.359 3.558 30 20 CHED C#Cc1cncc(C(=O)N[C@H](CC)c2ccc(Cl)cc2)c1 798156242 YOFRIVWJRSVHOR-MRXNPFEDSA-N 298.773 3.597 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1F 799497846 BHLCJWILPCEWHT-VURMDHGXSA-N 296.257 3.502 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2cc(C)ccc2[nH]1 684987880 NZMDDXHKCMLAEJ-CYBMUJFWSA-N 256.349 3.561 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccncc1 799938267 TZOZCBFPNDZALI-KGLIPLIRSA-N 294.345 3.641 30 20 CHED CC[C@@H](C)CON=Cc1c(C(C)C)nc2sc(C)nn12 793158411 FKHWVFZKYUMQSN-SNVBAGLBSA-N 294.424 3.619 30 20 CHED C[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1ccccc1C#N 799430110 LNNXQSCGLYPAMO-IWMPZKFUSA-N 288.350 3.549 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccc(Cl)cc1 799865495 HCRHKGNZFYHMKK-NSHDSACASA-N 266.772 3.945 30 20 CHED C#CCCN(CCC)Cc1ccccc1Br 760820518 QEHFXQIQZDCCCJ-UHFFFAOYSA-N 280.209 3.684 30 20 CHED CN(CCC1CC1)c1c(C#N)cnc2c(Cl)cccc12 1307071404 GBCSLCVLXWBSPP-UHFFFAOYSA-N 285.778 3.996 30 20 CHED Cc1cc(N(CC(C)C)CC(C)(C)C)ncc1C#N 1307081304 PVZJJQWKKFQTBK-UHFFFAOYSA-N 259.397 3.770 30 20 CHED C=CCCCOC(=O)c1cc(C)c2ccccc2n1 1318580260 NRKYGUDZYJZOMO-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1Nc1ncc(C#N)cc1F 1162674916 BQESJVRBVOUERS-QLJPJBMISA-N 299.324 3.967 30 20 CHED CC(C)CC(=NNCc1ccc(F)cc1)c1ccccn1 1319373715 ZPDIXFTWSBZGPZ-UHFFFAOYSA-N 285.366 3.761 30 20 CHED Fc1ccc(CNN=C2CSCc3ccccc32)cc1 1319753269 YOMZUWBUMBPGDK-UHFFFAOYSA-N 286.375 3.566 30 20 CHED COCCN(C)N=CC1CCC(c2ccccc2)CC1 1321817913 DDKKGBSSHYCYIB-UHFFFAOYSA-N 274.408 3.524 30 20 CHED CSc1ccccc1C(C)=NNCc1ccc(C#N)cc1 1322614146 DXSJRAYUDVNNDT-UHFFFAOYSA-N 295.411 3.794 30 20 CHED Fc1ccc(CNN=C2CC[C@H]3CNc4cccc2c43)cc1 1324253922 NSEMRNLGXQWYIM-ZDUSSCGKSA-N 295.361 3.623 30 20 CHED C=CCC[C@@H](NCCc1ccc(N(C)C)cc1)C1CC1 1324265212 CHGCFWNFTWCYKG-GOSISDBHSA-N 272.436 3.630 30 20 CHED CCCOc1cc(C=NOC(C)(C)C)ccc1OC 1323133704 ZLNATGGOBNCJDH-UHFFFAOYSA-N 265.353 3.633 30 20 CHED CC#CCCCC(=O)N(CCc1ccccc1)C(C)C 1323985672 NIIIWLZALKDWTE-UHFFFAOYSA-N 271.404 3.660 30 20 CHED N#Cc1ccc(COC(=O)c2cc3c(s2)CCC3)s1 1329973245 MAVXTMFCIDJSKK-UHFFFAOYSA-N 289.381 3.527 30 20 CHED C=C(CNCCc1ccc(F)cc1F)c1ccccc1 1320017136 BWKQZJOLBAJFSE-UHFFFAOYSA-N 273.326 3.810 30 20 CHED C=C[C@H](COC)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 1325239929 POOGYWWCYWROJQ-BMFZPTHFSA-N 279.811 3.767 30 20 CHED CCc1nc(C)c(C(C)=NNCc2ccc(F)cc2)s1 1253072016 UQOQVSTYFVDUOC-UHFFFAOYSA-N 291.395 3.667 30 20 CHED C[C@@H](O)CCc1ccc(OCc2ccc(C#N)s2)cc1 1331966985 ADSCVFZUZVKTFU-GFCCVEGCSA-N 287.384 3.512 30 20 CHED CCOc1ccc(/C=C\c2cc(C#N)ccn2)cc1OCC 1256485759 GEOBVXRCXSVMLB-ALCCZGGFSA-N 294.354 3.921 30 20 CHED CCS[C@@H](C(=O)O[C@H](CC#N)c1ccco1)C(C)C 1263660255 ANICWBSTWQQAQF-CHWSQXEVSA-N 281.377 3.555 30 20 CHED Cc1cccc(N(C)c2nnc([C@@H](C)CCC#N)n2C)c1C 1339253451 LULITACEZJIIOU-ZDUSSCGKSA-N 297.406 3.607 30 20 CHED C#CC[C@H](C)OC(=O)c1ccc(-c2csc(C)n2)cc1 1344034671 HOJVTTDEDBPDGG-NSHDSACASA-N 285.368 3.687 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccsc2C)s1 1264755896 IUPICNQIJQRAII-UHFFFAOYSA-N 276.386 3.804 30 20 CHED CC(C)(NC(=O)CC#Cc1ccccc1)c1ccccc1F 1261335479 YGFPNWQCRKSIMN-UHFFFAOYSA-N 295.357 3.619 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 1354898659 IUPSDXYJTVVQDV-GJZGRUSLSA-N 284.403 3.970 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@@H](C)CCC[C@H]1C 1360392825 VPMARWLBDNKIHG-GXTWGEPZSA-N 270.376 3.517 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1c(C)ccnc1C 1517658096 WRPJKCFRWBELAJ-CQSZACIVSA-N 273.380 3.661 30 20 CHED Cn1ccnc1[C@H](C#N)C(=O)CC(C)(C)C1CCCCC1 1515835648 HPCSEEPESFVXAO-CQSZACIVSA-N 287.407 3.593 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 1528099375 CHCJSOYAGUXZCT-XJKSGUPXSA-N 272.392 3.593 30 20 CHED N#Cc1cc(NC(=O)c2cccc(C3CC3)c2)ccc1F 1529691717 XBGFXCYDLLDSRN-UHFFFAOYSA-N 280.302 3.827 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCCc1cccc(O)c1 1521525110 MVGYYMOQTINSDA-MRXNPFEDSA-N 287.403 3.672 30 20 CHED Cc1ccc(NN=C2CC[C@@H]2C2CCC2)cc1C(=O)O 1600463449 ZCRRIEGTVHIZBM-CYBMUJFWSA-N 272.348 3.671 30 20 CHED CC[C@@H]1CCC[C@H]1CNCc1ccc(C#N)c(F)c1 1462275450 YWVZLRZEZQZPSS-HIFRSBDPSA-N 260.356 3.613 30 20 CHED CC(C)(C)C1CCC(CC(=O)N2CCC[C@@H](C#N)C2)CC1 1471765624 AHCOHAQDIABIQR-PCKAHOCUSA-N 290.451 3.991 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(COc2ccccc2)c1 1543426129 LCBABLJKZPISKL-OAHLLOKOSA-N 294.354 3.754 30 20 CHED C=C(CC)C(=O)N1C[C@H](C)C[C@@H]1c1ccc(OC)cc1 1548671340 NIXOLGFGFKKHLA-MLGOLLRUSA-N 273.376 3.571 30 20 CHED C=C(Cn1c(C(C)C)nnc1N(C)C1CC1)c1ccccc1 1705741512 RMNULUBEDVYPEW-UHFFFAOYSA-N 296.418 3.714 30 20 CHED CC1(C)OB(C2=CC[C@]3(CCOC3(C)C)CC2)OC1(C)C 222069158 OCGPNABCQQTNCW-QGZVFWFLSA-N 292.228 3.913 30 20 CHED C#C[C@@H](NCc1cscc1C(F)(F)F)C(C)(C)C 811508105 ZZPMPYYHLYNLAG-LLVKDONJSA-N 275.339 3.904 30 20 CHED C[C@@H](C#N)C(=O)N(CCc1ccccc1)CCC(C)(C)C 1633170137 CCRHWKPYTSCJRA-HNNXBMFYSA-N 286.419 3.654 30 20 CHED COc1cc(C#N)ccc1CN(C)c1ccccc1C 1643927637 AFHTXBPVLQVNJW-UHFFFAOYSA-N 266.344 3.512 30 20 CHED COc1cccc2c1N(Cc1ccc(C#N)cc1C)CCC2 1644820293 FXAYWCSAWZPSLV-UHFFFAOYSA-N 292.382 3.828 30 20 CHED COc1ccc(C#N)cc1CN[C@@H]1CCC(C)(C)C[C@H]1C 1642811271 CBAZVBGSWAASBS-CZUORRHYSA-N 286.419 3.871 30 20 CHED CSc1ccccc1[C@H](C)Nc1ncc(C#N)cc1F 1651790470 FDNVNGQXBNHWIV-JTQLQIEISA-N 287.363 3.987 30 20 CHED CC[C@H]1CCC[C@@H](CNCc2ccc(OC)c(C#N)c2)C1 1657888323 GSRFKHXJXZGJQW-LSDHHAIUSA-N 286.419 3.873 30 20 CHED C[C@H]1C[C@H](C)CN(CCSc2cccc(C#N)c2)C1 1656327572 SCHTVDKBZCKVOK-KBPBESRZSA-N 274.433 3.628 30 20 CHED Cc1nc(C#N)cc(SC2CCC(C)(C)CC2)n1 1650975598 PNPDAEYCFDVJSJ-UHFFFAOYSA-N 261.394 3.718 30 20 CHED Cc1csc(CNc2ccc(Cl)c(C#N)n2)c1 1651080061 XLRCZCZNLOXFKM-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=CCCCCCN1C[C@H](C(=O)O)C2(CCCCC2)C1 1776173023 HWNKLTKHXHRARK-OAHLLOKOSA-N 279.424 3.700 30 20 CHED C=C(C)CCCN[C@@H](c1ccccc1)C(C)(C)C(=O)O 1776139079 ZZGCCGHPIHXXGI-HNNXBMFYSA-N 275.392 3.784 30 20 CHED Cc1cccc(NN=Cc2csc(C(=O)O)c2)c1Cl 1776106755 SQZXNIVFHZGDFK-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=CCn1cnc2sc(-c3ccccc3)c(C)c2c1=O 11539962 ZBJVLIVMFABCLA-UHFFFAOYSA-N 282.368 3.619 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1 15512076 FMPGAPBJRVRURH-UHFFFAOYSA-N 287.322 3.601 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H](C)c1cccc(C)c1 150838066 MLXNBZOVASDKCJ-OAHLLOKOSA-N 271.404 3.983 30 20 CHED O=C(/C=C/c1ccc(Cl)s1)c1cncc(F)c1 150948446 IJEFWGCBGWYHQH-HNQUOIGGSA-N 267.712 3.832 30 20 CHED CC[C@H](C#N)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 162772836 PZPFAAJOJSMCSV-GHMZBOCLSA-N 298.308 3.617 30 20 CHED N#Cc1cc(COc2ccc3c(c2)CCCC3=O)ccc1F 158564173 JIMINOBSPQCYNC-UHFFFAOYSA-N 295.313 3.795 30 20 CHED C=C(C)COc1cc(CNc2cccnc2C)ccc1OC 163323320 GITFVSONUACACY-UHFFFAOYSA-N 298.386 3.966 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCC1CCC1 151978383 NTSIMLJVGDALJX-UHFFFAOYSA-N 272.392 3.574 30 20 CHED C=C(C)CN1CCC(N[C@H](Cc2ccccc2)C2CC2)CC1 152943157 QXZVEGDYPGSJNX-HXUWFJFHSA-N 298.474 3.638 30 20 CHED CCC[C@@H](NC(=O)CC#N)c1cccc(C(F)(F)F)c1 153730826 LTUJILFSPHJAJR-GFCCVEGCSA-N 284.281 3.576 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(C#N)cc1 155975195 NLVWCOZNCZFKDC-CZUORRHYSA-N 270.376 3.599 30 20 CHED COc1cccc(/C=N/[C@H]2CCc3c(OC)cccc32)c1O 159846997 BJGWRWPZQVNQFZ-BKQORJHRSA-N 297.354 3.516 30 20 CHED C=CCCC[C@H](C)NC[C@@H](O)c1cccc(Cl)c1 819210166 TZSHQTMNYPNDLS-SWLSCSKDSA-N 267.800 3.708 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccccc1F 20126480 BBGNFTDMYVFFKW-GFCCVEGCSA-N 270.307 3.901 30 20 CHED C[C@H](CC(C)(C)C)NCc1ccc(OCC#N)cc1 295252129 UJOBJVNNORRADP-CYBMUJFWSA-N 260.381 3.503 30 20 CHED N#CCCN(CCCOCc1ccccc1)Cc1ccco1 182436426 HSZLUGJELQDPLK-UHFFFAOYSA-N 298.386 3.602 30 20 CHED C[C@H](CNc1ccc(F)cc1C#N)Oc1ccccc1 301397259 NRJMYUVKGZWURK-GFCCVEGCSA-N 270.307 3.577 30 20 CHED N#Cc1ccc2c(c1)N(C[C@H]1CCCC(F)(F)C1)CC2 514089882 OJRXWKZLRSNDSB-ZDUSSCGKSA-N 276.330 3.746 30 20 CHED N#Cc1cc(F)c(N2CCCC3(CCC3)C2)c(F)c1 359736545 OLWYLTJOZFFYHQ-UHFFFAOYSA-N 262.303 3.607 30 20 CHED Cc1cccc(CCNc2cc(Cl)ccc2C#N)n1 359838921 GDHCNIPYSDRSFT-UHFFFAOYSA-N 271.751 3.570 30 20 CHED N#Cc1cc(F)cc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 718618168 MARAZYVWIUDKAE-OFGYBXGMSA-N 270.351 3.934 30 20 CHED Cc1cc(C#N)ccc1OC[C@H](O)c1cccc(Cl)c1 755328572 HGXDMVJLGZEIDB-HNNXBMFYSA-N 287.746 3.633 30 20 CHED CCCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1 3153403 XNUSBBNRHPXZNF-UHFFFAOYSA-N 290.407 3.865 30 20 CHED N#Cc1cccc(COC(=O)c2ccc(Cl)s2)c1 4242463 WGZFZDZMSRJRAQ-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CCOc1ccc(NC(=S)Nc2cccc(C#N)c2)cc1 6329238 LGCGOVAWYGYTRM-UHFFFAOYSA-N 297.383 3.766 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F 7712517 ZKFPJTGVXSQNDO-QPJJXVBHSA-N 289.237 3.769 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1c[nH]c2ccccc12 106422081 DCNNJRWMUOCHQK-UHFFFAOYSA-N 297.402 3.689 30 20 CHED CCN(CC#N)C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 107133177 NMNXBKUGWSQQMW-JTQLQIEISA-N 299.201 3.544 30 20 CHED N#C[C@H](C(=O)CCc1cccs1)c1nc2ccccc2o1 73977289 BGWAUWUCMOGCDA-GFCCVEGCSA-N 296.351 3.698 30 20 CHED CC1(C)C[C@@H](Nc2cccc(OCCCC#N)c2)CCO1 70358015 ZTJKHOUMLPWXLI-HNNXBMFYSA-N 288.391 3.739 30 20 CHED C=CCNC(=O)Nc1cc(Cl)ccc1SCC 105048681 ZVHIGUWGHFSSOO-UHFFFAOYSA-N 270.785 3.760 30 20 CHED C=CCNC(=O)Nc1ccc(OCc2ccccc2)cc1C 117461638 JOTFNSNYGXRLPO-UHFFFAOYSA-N 296.370 3.882 30 20 CHED C=CCCOC(=O)c1csc(-c2ccccc2F)n1 103645909 GZUHRMYNUDTMRN-UHFFFAOYSA-N 277.320 3.682 30 20 CHED CC[C@@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 178637895 GSAXPPOGFGJWES-MRXNPFEDSA-N 278.355 3.999 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@@H](C#N)C1CCCCC1 176623203 ZISVVHWUMCZNCW-ZFWWWQNUSA-N 264.413 3.647 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc(C#N)c1 110718272 ULSVZOASNTZDFC-HOCLYGCPSA-N 270.376 3.647 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1CCCCCC1 171031289 ROVJELKSUJVCCL-UHFFFAOYSA-N 286.375 3.866 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C2CC2)sc2ccc(F)cc12 176064743 NETUZDDYZDCLRQ-LBPRGKRZSA-N 289.331 3.808 30 20 CHED C=CCOc1ccccc1CNC(=O)c1sccc1C 110425787 NQUFCWHHNCXABV-UHFFFAOYSA-N 287.384 3.551 30 20 CHED C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1cccc(C#N)c1 301464718 WOPDNFIJMHLBKR-SNVBAGLBSA-N 285.278 3.779 30 20 CHED C=CCN(Cc1ccc(OC)c(O)c1)Cc1cccs1 119935076 OQZRNCPPFAIUIR-UHFFFAOYSA-N 289.400 3.651 30 20 CHED CCCC[C@@H](C)C(=O)N[C@@](C)(C#N)CCc1ccccc1 409989528 VRJDTDBGUGJSBY-CRAIPNDOSA-N 286.419 3.844 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(-c2ccccc2Cl)on1 419209330 BFTOFYWOPCDNPM-LLVKDONJSA-N 289.766 3.729 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H](C)c2c(C)noc2C)c1 113771453 KTWKQSMLYHWOLF-VJCPFXPRSA-N 288.347 3.576 30 20 CHED N#CCCCOC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 171669948 WJEMXEBJUSRYQL-SJORKVTESA-N 279.339 3.790 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](CC(C)C)C1 178558098 LOBSXGMGCJBLDZ-AWEZNQCLSA-N 285.391 3.767 30 20 CHED N#CCC[C@H](C#N)COc1ccc2ccccc2c1 119248124 WHFZDNDJPYIDAV-CYBMUJFWSA-N 250.301 3.662 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc(Oc3ccccc3)o2)C1 179871027 RLRACACYOPLORU-GXTWGEPZSA-N 297.310 3.921 30 20 CHED N#Cc1nccnc1Nc1ccc(CCC(F)(F)F)cc1 301580174 SDUWNCDSQHAFGZ-UHFFFAOYSA-N 292.264 3.587 30 20 CHED CCCOC(=O)c1ccc(NCc2ccccc2C#N)cc1 22810634 VAAOTGPMXIKIMV-UHFFFAOYSA-N 294.354 3.737 30 20 CHED COc1ccc2[nH]cc(C3CCN(CCCC#N)CC3)c2c1 66436645 ZTMHOCLSSNMREM-UHFFFAOYSA-N 297.402 3.660 30 20 CHED C[C@H](c1ccccc1F)N(C)c1ccc(C#N)cc1[N+](=O)[O-] 301284266 QXNQXLGMPFNZOP-LLVKDONJSA-N 299.305 3.803 30 20 CHED Cc1ccc([C@@H](CNc2ccc(C#N)cc2)N(C)C)cc1 301080658 HYWPOHAJYAMUBG-GOSISDBHSA-N 279.387 3.582 30 20 CHED CN(CCC#N)C(=O)CCCc1csc2ccccc12 126639310 UANQBTPUIYZAAG-UHFFFAOYSA-N 286.400 3.596 30 20 CHED Cc1ncsc1CN(C)CC#Cc1cccc(Cl)c1 178976519 KDMWJTZFHRWCGT-UHFFFAOYSA-N 290.819 3.588 30 20 CHED CCN(C(=O)Cc1c(F)cccc1C#N)c1cccc(C)c1 505605932 DSLPVOZGMBJSCY-UHFFFAOYSA-N 296.345 3.601 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1cc(C#N)ccc1F 120147842 AMGGDEZMTXXNHA-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED CN(c1ccc(C#N)cc1[N+](=O)[O-])C1CCCCCC1 303625580 SOHJMDCCMAWLQO-UHFFFAOYSA-N 273.336 3.625 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1 213897810 MQLQQXYOTCEOBS-VURMDHGXSA-N 266.296 3.620 30 20 CHED CCn1c(C(=O)[C@H](C#N)c2ccccn2)cc2ccccc21 125478556 FIJIQMXDBJGVIQ-CQSZACIVSA-N 289.338 3.546 30 20 CHED N#Cc1cnc(N[C@@H]2C[C@H]2c2ccc(F)cc2)c(Cl)c1 302850413 ILCIDTBXSOWNCT-GXTWGEPZSA-N 287.725 3.714 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)CCCSCC#N 120844588 FDHWPVWDEMOGOW-KBPBESRZSA-N 254.443 3.534 30 20 CHED COc1cc(C(C)=O)ccc1SCCCCC#N 123215616 QQSIERYFEOQPKK-UHFFFAOYSA-N 263.362 3.684 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnn([C@@H](C)C2CC2)c1 189653012 UFEGTZPRHVQCBK-OLZOCXBDSA-N 290.411 3.720 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc(C2CC2)nc2ccccc12 183920216 ZXWQTCDCVDKDPJ-CYBMUJFWSA-N 293.370 3.534 30 20 CHED CCOc1ccccc1NC(=O)/C=C\c1ccccc1C#N 213194731 YXBMNHGDXYUOKY-QXMHVHEDSA-N 292.338 3.609 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H](C)c1ccccc1 121564205 XLSZXMNJDQUAHU-CQSZACIVSA-N 257.377 3.974 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@@H](CC)CC#N)cc1 183966934 DJBQRKCKZJBEBP-CJNGLKHVSA-N 272.392 3.551 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC)c(OC(C)C)c1 186060954 AGHNJUGRGNYLQG-UHFFFAOYSA-N 289.375 3.615 30 20 CHED C[C@H](N[C@H](C)CC(F)(F)F)c1ccc(C#N)cc1 154349117 DFRHCRWLVSOITL-ZJUUUORDSA-N 256.271 3.550 30 20 CHED C=CCn1c(SC)nnc1-c1ccc(Cl)cc1 78434778 HPZNDVAWELDOHK-UHFFFAOYSA-N 265.769 3.506 30 20 CHED CCn1c(SCc2ccc(C#N)cc2C)nnc1C1CC1 186240147 WROCNAHWMBPUKC-UHFFFAOYSA-N 298.415 3.648 30 20 CHED C=C(C)CCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 509703930 HDRYNQWJERYWRW-HNNXBMFYSA-N 275.367 3.687 30 20 CHED CCCOc1ccc(Cl)cc1N[C@@H](C#N)CC 122209310 ODWIGVJEOIJDOI-LLVKDONJSA-N 252.745 3.843 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1-n1cccn1 123216465 RVBFFWCDOJWVIB-UHFFFAOYSA-N 281.359 3.579 30 20 CHED C=CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 186219358 KKDJSHZEFVOFPP-INIZCTEOSA-N 296.326 3.893 30 20 CHED CC(C)[C@@H](C(=O)NCc1cccc(C#N)c1)c1ccccc1 79484320 YOPWWPADQGJGHE-GOSISDBHSA-N 292.382 3.614 30 20 CHED CC/C=C/CCSCC(=O)Nc1ccc(C#N)cc1 185723363 YPLSXOWOADDZPF-ONEGZZNKSA-N 274.389 3.586 30 20 CHED CCC[C@H](C)CC(=O)NC(C#N)(CCC)CCC 121535536 ONNJGRAGYDDNAU-ZDUSSCGKSA-N 252.402 3.791 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1 33466989 ORFCDTXKANZHGH-GHXNOFRVSA-N 276.339 3.520 30 20 CHED N#CCOc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 37253264 WABUARIOUZALTH-UHFFFAOYSA-N 297.745 3.726 30 20 CHED CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 79586470 NPVPAKKSFRSDBL-UHFFFAOYSA-N 296.345 3.636 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(C)[C@@H](C)CC#N 413356983 HCLBUFKSOXQCFV-DZGCQCFKSA-N 264.413 3.744 30 20 CHED CC(C)CC1(C(=O)NCc2cc(C#N)ccc2F)CCC1 124558813 PMUVXQOCCVZDEB-UHFFFAOYSA-N 288.366 3.530 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 410116865 KXOSZQCGIYANAN-DGCLKSJQSA-N 281.783 3.578 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 413000139 OMAUXPIVSOAMGD-AAEUAGOBSA-N 281.808 3.855 30 20 CHED CC#CCCCC(=O)N1CCCc2c1cc(F)c(F)c2F 411065299 SFTRXPSDYDTODI-UHFFFAOYSA-N 295.304 3.577 30 20 CHED CCC[C@H]1CCCCN1C(=O)c1c(F)cc(C#N)cc1F 183907056 UQNPTNXLKQVDFU-LBPRGKRZSA-N 292.329 3.631 30 20 CHED C#Cc1cccc(N(C(=O)c2occc2C)C(C)C)c1 77293724 DWMZEXTVLSNFJN-UHFFFAOYSA-N 267.328 3.625 30 20 CHED CC(C)(CCCc1ccccc1)C(=O)NCC1(C#N)CCC1 416345555 HZZDNYVVVMUMEP-UHFFFAOYSA-N 298.430 3.846 30 20 CHED C=C(C)CN(CC)C(=O)c1scnc1C1CCCC1 183923475 NRUHWICBAYFJFB-UHFFFAOYSA-N 278.421 3.839 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 44809321 FBELPVUSWKUDLV-GFCCVEGCSA-N 266.300 3.577 30 20 CHED C=CCOCCSCc1ncc(Cl)cc1Cl 419451489 DFHNKNPQHYEFBU-UHFFFAOYSA-N 278.204 3.824 30 20 CHED CCc1c(C)sc(NC(=O)CC2CC(F)(F)C2)c1C#N 410429041 BLXNRBYWOSYKAT-UHFFFAOYSA-N 298.358 3.865 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 89269277 GZECSRQFGJNWJQ-CVEARBPZSA-N 299.761 3.549 30 20 CHED CO[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 88191295 RGXOFZGMNNRZRA-UONOGXRCSA-N 298.308 3.947 30 20 CHED Cc1ccc(N(C)CCOc2cccc(C#N)c2)c(C)c1 48346161 PKMSKEAJKCGGBF-UHFFFAOYSA-N 280.371 3.690 30 20 CHED Cc1ccc(Br)cc1Oc1ccc(C#N)cn1 228333243 ZSVARFUOFWBWIK-UHFFFAOYSA-N 289.132 3.817 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 84710987 MWCRADCHEPOEDQ-GXFFZTMASA-N 299.292 3.729 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C(/O)[C@H]2CCCC(O)=N2)C1 328838253 YDXLGRZVDVXTFY-IJLUTSLNSA-N 284.425 3.516 30 20 CHED C[C@@H](Cc1ccc(F)cc1Cl)NCCCCC#N 421826551 SYNKSXNYMVSCOA-NSHDSACASA-N 268.763 3.694 30 20 CHED CC(C)[C@@H]1C[C@@H]1/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C 329309988 ZHGGTEGAPIQQNA-CIQGVGRVSA-N 280.412 3.769 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc(OC(F)F)cc1 429779527 AMHQOUNPKFYLCB-LLVKDONJSA-N 280.318 3.632 30 20 CHED CC(C)(C)c1nc(CN2CCC[C@](C)(C#N)C2)cs1 612163766 YJACEMCTXKJEMV-OAHLLOKOSA-N 277.437 3.566 30 20 CHED Cc1ccc(CN(C(=O)NCC(C)(C)C#N)C(C)C)s1 512890324 QFSAKGDMJPPHFU-UHFFFAOYSA-N 293.436 3.526 30 20 CHED N#Cc1ccc(/C=C2\Cc3c(F)cc(F)cc3C2=O)s1 131187175 ROTHYBUOPMKYTL-FPYGCLRLSA-N 287.290 3.720 30 20 CHED C=C(C)C(C)(C)C(=O)N(CC)Cc1ccc(OC)cc1 424578792 SYLSGBZKGBLSCI-UHFFFAOYSA-N 275.392 3.646 30 20 CHED O=C1/C(=C\c2cccs2)COc2c(F)cc(F)cc21 194579260 DCLJWZYAYPYPCH-YWEYNIOJSA-N 278.279 3.685 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3ccccc3)CC2)C1 429685884 NOSNVNOLYKUKTN-KBAYOESNSA-N 268.404 3.948 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(Oc2ccccc2)c1 44827991 QKNVYKLIFLHUKM-ZDUSSCGKSA-N 280.327 3.967 30 20 CHED C=CCSCCNC(=O)N[C@@H](C)c1cc(C)sc1C 194563494 ZMQZETXJTMJJHX-NSHDSACASA-N 298.477 3.644 30 20 CHED Cc1nc(C(C)C)oc1/C(O)=N/C[C@H]1CCCCS1 329028729 KOQQDCXBTYCKRD-LLVKDONJSA-N 282.409 3.697 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccccc1OC1CC1 514188538 GBJGQAAMQPMWQJ-UHFFFAOYSA-N 292.338 3.660 30 20 CHED CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 227576362 HQLVUGGAKXMMPT-ZOBUZTSGSA-N 284.403 3.578 30 20 CHED N#Cc1cccc(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)c1 510420605 QTWWMMGHEUPQMM-IRXDYDNUSA-N 282.387 3.504 30 20 CHED Cc1ccccc1[C@@H](C)NCc1cccc(F)c1C#N 428312359 UCYWURASPCBBMJ-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCc3c(C#N)cccc32)C[C@H]1C 421655551 HJASDSWRJRNAIY-MCIONIFRSA-N 282.387 3.520 30 20 CHED Cc1ccc2nc(SCC3(CC#N)CC3)[nH]c2c1 88259750 VTQCYAYVLHLQMX-UHFFFAOYSA-N 257.362 3.657 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(N(C)C)c(F)c2)no1 426446930 DSFVKDQCJKAZNM-UHFFFAOYSA-N 289.354 3.795 30 20 CHED CC(C)CC(CC(C)C)C(=O)NCc1ccc(C#N)s1 421600026 GKCXSRLBXGYWST-UHFFFAOYSA-N 292.448 3.944 30 20 CHED C=CCCC1(C(=O)Nc2cc(OC)cc(OC)c2C)CC1 337128854 AYHXQBCYINWBJL-UHFFFAOYSA-N 289.375 3.697 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)c2csc(C(C)(C)C)n2)o1 330708845 NWULCKMIRGPNRP-SECBINFHSA-N 293.392 3.803 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1ccsc1 194614796 LTQAOWXAZBKRKT-DAFODLJHSA-N 250.269 3.922 30 20 CHED CC(C)C[C@@H](C)CSCC(=O)Nc1cccc(C#N)c1 512821472 QVTYFUWMIPQLEE-CYBMUJFWSA-N 290.432 3.912 30 20 CHED N#Cc1ccccc1C[S@@](=O)c1cc(Cl)ccc1F 334437334 IBXKHLFRSCMRGN-LJQANCHMSA-N 293.750 3.659 30 20 CHED Cc1cc(C#N)ccc1Oc1ncnc2ccc(F)cc12 92640471 YQCJZIDBTICMRU-UHFFFAOYSA-N 279.274 3.741 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(CC#N)cc2)C1 98024871 MVYXFWZVRYBNBD-HIFRSBDPSA-N 285.391 3.700 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CC2(C)CCCCC2)C1 511851531 IDQPODOWEXZQPW-PBHICJAKSA-N 276.424 3.936 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/CC2(C3CC3)CC2)c1C 330142816 YMFMGIHJBBSKFQ-NSHDSACASA-N 290.411 3.679 30 20 CHED C[C@@H]1CC[C@@H](C/N=C(/O)c2c(Cl)cccc2[N+](=O)[O-])C1 331091577 WRXNKQNQVZDNGX-NXEZZACHSA-N 296.754 3.989 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1c1ccsc1 337981849 YVHOEGCLVSJHSS-INIZCTEOSA-N 296.395 3.906 30 20 CHED C=CCOCCCN[C@H](CC(F)F)c1ccccc1 420994110 MTPGBRZATZZTHZ-CQSZACIVSA-N 269.335 3.565 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)s2)cs1 421887402 SRIWSEWDSMDBHU-JTQLQIEISA-N 262.403 3.841 30 20 CHED N#CCC[C@@H](C#N)CN1CC=C(c2ccccc2Cl)CC1 91841974 FXWUBZKWFLWHLJ-AWEZNQCLSA-N 299.805 3.873 30 20 CHED C[C@H](C#N)CN(C(=O)[C@H](C)c1cc2ccccc2o1)C1CC1 338303715 WUTBCMRKGDHUSC-CHWSQXEVSA-N 296.370 3.687 30 20 CHED N#CCN(Cc1cc(F)ccc1Cl)C1CCCC1 98060033 WIFGRYXVHIZPOD-UHFFFAOYSA-N 266.747 3.747 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1c(F)cc(F)c(F)c1F 430743071 NRWGFFRUZYTNDB-DTWKUNHWSA-N 275.289 3.933 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(C#N)cc1 437643186 BEZQSEDQXDKYKV-XJKSGUPXSA-N 285.391 3.991 30 20 CHED N#CCc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 332642189 XFYZVQKWRXMZGV-BPQIPLTHSA-N 296.414 3.841 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(Cl)ccc1O 436528850 MQMYTXBSUBXGIL-UHFFFAOYSA-N 281.783 3.864 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCCc2ccc(C)cc21 529392192 BBHTXVNRZHVHGL-INIZCTEOSA-N 284.403 3.819 30 20 CHED C=C[C@@H](C)/N=C(/O)Nc1sc(C)nc1CC(C)C 331031551 ZXNKUDOGOAGVRL-SECBINFHSA-N 267.398 3.550 30 20 CHED C=CCC[C@H](CC)NC[C@@H]1Cc2ccccc2N(C)C1 437107591 PYFOVQBEGBQPGE-RDJZCZTQSA-N 272.436 3.630 30 20 CHED CC[C@@H](C)n1[nH]c(=N[C@@H](C)c2cccc(C#N)c2)cc1C 525951850 ATVBCJHXJCAPSI-OCCSQVGLSA-N 282.391 3.629 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2ccoc2c1 529131311 STSOOXKEWJRNJD-UHFFFAOYSA-N 256.305 3.701 30 20 CHED CC[C@H](C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 248224201 IQLAGVHVRVFZNA-QWHCGFSZSA-N 258.365 3.514 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cccc(OC(F)(F)F)c1 430747426 LTVURQVFMNOOPG-LLVKDONJSA-N 298.308 3.930 30 20 CHED C[C@H]1CN(Cc2ccccc2C#N)C[C@@H](c2ccsc2)O1 246391469 IEGGXFXSGXVMFU-GUYCJALGSA-N 298.411 3.582 30 20 CHED N#CC1(CN(C2CC2)[C@H]2CCCc3ccccc32)CC1 343316534 SSJDXBSIZXBESW-KRWDZBQOSA-N 266.388 3.832 30 20 CHED C=C1CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC1 342087367 BPRMBGZEYQROSC-UHFFFAOYSA-N 288.778 3.542 30 20 CHED C=C(C)CCNc1cc(Cl)ccc1C(=O)N1CCCC1 345295772 JPHLVVFWIOEEAN-UHFFFAOYSA-N 292.810 3.954 30 20 CHED C[C@@H](CCC#N)CN(C)CCOc1ccccc1Cl 602437902 YUXMONTVIIWXOA-ZDUSSCGKSA-N 280.799 3.590 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCOc2ccc(OC)cc21 344136066 QGDUGIXOKOVWQK-WOSRLPQWSA-N 275.392 3.709 30 20 CHED C=CCN(C)C(=O)Nc1cc(-c2cccnc2)ccc1C 432787381 GMNNRWMJMSGIFP-UHFFFAOYSA-N 281.359 3.707 30 20 CHED C[C@@H](Cc1ccc(F)cc1Cl)NCC1(C#N)CCC1 602697121 VHJSBISWDBKXDD-NSHDSACASA-N 280.774 3.694 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1ccc(F)c(C)c1 432563130 PWXBHMCNKNXORY-UHFFFAOYSA-N 292.398 3.878 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1coc2ccccc12 435740663 FTZBHWRYSXIXCY-SUMWQHHRSA-N 271.360 3.504 30 20 CHED N#Cc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1 609234369 QPPUPORANRPHNR-IBGZPJMESA-N 292.382 3.522 30 20 CHED C[C@@H](SC1CCC(C)(C)CC1)C(=O)NC1(C#N)CCC1 344603293 GRSUYQOPXFLURV-GFCCVEGCSA-N 294.464 3.639 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc2c(s1)CCCCC2 608821773 VTBGZEDZMPTMPO-ZDUSSCGKSA-N 290.432 3.685 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@@H](C)C2)cc1C#N 345281350 HRZRNZXKCCQIOA-OLZOCXBDSA-N 286.375 3.720 30 20 CHED N#CCCCOC(=O)/C=C\c1cccc(OC2CCCC2)c1 255136524 SNTRTTAZWYXUPF-KHPPLWFESA-N 299.370 3.868 30 20 CHED CCN(Cc1ccc(Cl)s1)CC1(C#N)CC1 343256001 YAECVKNARRAEAN-UHFFFAOYSA-N 254.786 3.527 30 20 CHED Fc1ccc(C=NOCc2ccc(F)cc2F)cc1 255726110 IOXZWFSEJVFJRU-UHFFFAOYSA-N 265.234 3.655 30 20 CHED C[C@@H](CN(C)CCOc1ccc(C#N)cc1)c1ccccc1 524069768 GVEPTPIJLPWASR-INIZCTEOSA-N 294.398 3.673 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1OC(C)C 604895534 VAYZZFMOCAPSGJ-KGLIPLIRSA-N 290.407 3.799 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccnn2CC)CCCC1(C)C 444945479 UZZKJRACQQXJQP-ZDUSSCGKSA-N 290.411 3.502 30 20 CHED CCN1CCc2ccc(Nc3cccc(F)c3C#N)cc21 609075141 KHDXSZRGFLNSQZ-UHFFFAOYSA-N 281.334 3.823 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)[C@@H]1c1ccco1 602924212 BPRGDHMZLSCSKP-MRXNPFEDSA-N 266.344 3.734 30 20 CHED C=CCC1(C(=O)N(C)Cc2scnc2C)CCCCC1 448944144 ZHFQGXBCKSDMOK-UHFFFAOYSA-N 292.448 3.937 30 20 CHED C(/C=C/c1ccccc1)=NNc1nc2ccccc2[nH]1 253995059 KPJPSAJGKAYSMB-VFXUPEKQSA-N 262.316 3.674 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCC1(C(F)(F)F)CCC1)CC2 353669246 UANKRZPIINXSPD-CQSZACIVSA-N 294.320 3.868 30 20 CHED CC(C)C[C@H](C)CC(=O)N(C)c1ccc(C#N)cc1F 609217044 SLHFQXYKOMGRRC-LBPRGKRZSA-N 276.355 3.732 30 20 CHED Cc1c(C(=O)N2CCCC(C)(C)[C@H]2C#N)ccn1C(C)C 350681988 MQLSJLRAPAQSIH-OAHLLOKOSA-N 287.407 3.532 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 353354456 MVLAWVVRTUYGEF-UHFFFAOYSA-N 274.320 3.588 30 20 CHED CCCN(C(=O)[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1 531043584 XRIXNCOZOUQYPN-QWHCGFSZSA-N 284.359 3.892 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](C)[C@@H](CO)C1 700436500 ITHWQAHJYBOETI-HZPDHXFCSA-N 283.456 3.604 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccccc2OCCF)C1 449385613 GKXVYJHXZOIYRV-QWHCGFSZSA-N 262.328 3.529 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 448660795 KUFVLKVNBLWURD-CFVMTHIKSA-N 299.370 3.543 30 20 CHED Cc1ccsc1CNC(=O)C[C@H](CC#N)c1ccccc1 355114663 QAXSPFCJIBIAGF-HNNXBMFYSA-N 298.411 3.760 30 20 CHED Cc1coc(SCc2ccc(C#N)cc2OC(F)F)n1 358511073 CTIMBLCTMDOCRP-UHFFFAOYSA-N 296.298 3.748 30 20 CHED CCc1nnc(CSc2ccc(C#N)cc2Cl)s1 612021425 PTPKTCWAOONXQC-UHFFFAOYSA-N 295.820 3.918 30 20 CHED C=CCCCC[C@H](C)NCc1cc2ccccc2n(C)c1=O 449334992 GYFPWSSJENMNRG-HNNXBMFYSA-N 298.430 3.763 30 20 CHED C=C1CCN(C(=O)c2cncc(-c3ccc(C)cc3)c2)CC1 268294222 ZZFSCZBISBDRCP-UHFFFAOYSA-N 292.382 3.849 30 20 CHED CC(C)COc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442866514 LWJLRYDTWFGYIT-HIFRSBDPSA-N 258.365 3.826 30 20 CHED C=CCC[C@@H](N[C@H](COC)C(C)C)c1ccccc1 358343316 SKOAWWOYTSUABL-IAGOWNOFSA-N 261.409 3.955 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccnc2C(F)(F)F)C1 617782124 YVWPABDGTROAKO-NSHDSACASA-N 298.308 3.529 30 20 CHED Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c(C)n1 611300585 QXSZBEZCHUXUKG-DZGCQCFKSA-N 279.387 3.982 30 20 CHED C=CCC1(NC(=O)Cc2cc3ccccc3o2)CCCC1 619104393 LEZIQTBYVFHXCN-UHFFFAOYSA-N 283.371 3.980 30 20 CHED CN(CC#N)C(=O)c1cc2sc3ccccc3c2s1 354138763 RGQPEZSDRYSEIW-UHFFFAOYSA-N 286.381 3.712 30 20 CHED CCCC[C@H](C)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 352410216 PCMJYSGDLZETQK-ZDUSSCGKSA-N 298.390 3.619 30 20 CHED COc1cc(F)c(F)cc1NCc1ccc(CC#N)cc1 357185132 GBUCZMXZXXSRLU-UHFFFAOYSA-N 288.297 3.652 30 20 CHED Cc1cnc(N[C@@H](CCC#N)c2ccccc2)c([N+](=O)[O-])c1 269709687 NSBYSXJTJIKJRT-AWEZNQCLSA-N 296.330 3.755 30 20 CHED C[C@]1(C#N)CCCN(C(=O)C2(Cc3ccccc3)CCC2)C1 612364723 NYYDNQRQZITCOJ-GOSISDBHSA-N 296.414 3.552 30 20 CHED C[C@@H](COc1cccc(F)c1)N[C@H](C)c1cccc(C#N)c1 538397103 PZLYMDLEQZXLKB-UONOGXRCSA-N 298.361 3.815 30 20 CHED N#CC1(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)CCC1 450823399 UPBOSYNKWSKCLI-IAGOWNOFSA-N 268.404 3.681 30 20 CHED C[C@H](NC(=O)NCCC1=CCCCC1)c1cccc(C#N)c1 610335248 GPNMNVBCXUMLET-AWEZNQCLSA-N 297.402 3.809 30 20 CHED CC(C)(CC#N)CNCc1cc2cc(F)ccc2o1 459738884 YGESKNGJANLPOA-UHFFFAOYSA-N 260.312 3.601 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 618683299 WCXYXYVJPNTHJZ-HBNTYKKESA-N 296.823 3.559 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2c[nH]c3cc(Cl)ccc23)C1 619672679 RWKRIHUOBKIQLE-BXUZGUMPSA-N 287.794 3.646 30 20 CHED C=C(C)[C@H](CC(=O)N(C)C[C@@H](C)c1ccccc1)OCC 535126142 RNJUCVCWMFXPAF-WBVHZDCISA-N 289.419 3.620 30 20 CHED C=CC(C)(C)CNC(=O)N(CCC(F)(F)F)CC1CC1 455363461 HPLIQIRFQRKUBY-UHFFFAOYSA-N 292.345 3.573 30 20 CHED C=CCCc1noc([C@@H](C)Oc2ccc(F)c(F)c2)n1 453247675 OGGZYSHGSKTSLX-SECBINFHSA-N 280.274 3.606 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCC(C)(C)CC#N 459227761 BXIDYKLHDIACQT-KBPBESRZSA-N 293.455 3.782 30 20 CHED CC(C)CCN(CCC#N)Cc1nc2c(s1)CCCC2 611463754 CMIIDQMWFQBPLY-UHFFFAOYSA-N 291.464 3.784 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nnc(-c3ccccc3)o2)C1 278686052 ZAQIPAAPQFQBLY-CMPLNLGQSA-N 271.345 3.521 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)NCC(C)(C)CC#N 457988422 CULQFSBBVIAFMY-AWEZNQCLSA-N 290.432 3.613 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(OCC)ccc1Cl 455784608 WJZDFJFWEXQJFT-SNVBAGLBSA-N 282.771 3.825 30 20 CHED CC#CCN(C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 458619330 BNICBKJPWVSPFW-KRWDZBQOSA-N 284.403 3.583 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(CC#N)cc1 270335001 MVYDJEZAIVPLLH-YOEHRIQHSA-N 284.403 3.793 30 20 CHED C=CCC[C@@H](C(=O)NCCCCOCC)c1ccccc1 275025321 QZCAHZKIUAOGPZ-QGZVFWFLSA-N 289.419 3.669 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC[C@H](C)C#N)CCC2 543806416 CAXUEIZAHLKWDI-DYVFJYSZSA-N 299.418 3.646 30 20 CHED C[C@H](N[C@@H]1COc2c(Cl)cccc21)c1cccc(C#N)c1 362796995 LKOUVQZLFSYCSC-MEDUHNTESA-N 298.773 3.996 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2c(F)cccc2F)CC1 450770447 NEMVMSJWNMFLBZ-UHFFFAOYSA-N 293.357 3.883 30 20 CHED CSCc1ccccc1NC(=O)NCC(C)(C)CC#N 459488300 IMAHDBWVQPOHAQ-UHFFFAOYSA-N 291.420 3.611 30 20 CHED Cc1ccc(CCCSc2nnc(C)c(C)c2C#N)cc1 543142300 NAOFULWWBXIOCC-UHFFFAOYSA-N 297.427 3.998 30 20 CHED CC(C)(C#N)C(=O)N1CC2(CCCC2)c2cccc(F)c21 278018110 MOKMYFADGISRNZ-UHFFFAOYSA-N 286.350 3.534 30 20 CHED N#CCc1ccc(CSc2ncc3ccccn23)cc1 544074719 RPSNFTZNADCSJV-UHFFFAOYSA-N 279.368 3.693 30 20 CHED C=CCN(C)C(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 277774022 IWXHWHGNVMNWGV-UHFFFAOYSA-N 297.402 3.563 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 466390781 DKDLWSNBZAIYQC-UAGQMJEPSA-N 286.419 3.929 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(Cc2ccc(F)cc2)CC1 467979599 BPVOBFFKJDATGP-KRWDZBQOSA-N 289.394 3.867 30 20 CHED CC(C)(C)Cc1noc(/C=C\c2ccc(C#N)cc2)n1 546457338 PSRTUFFBDJZWRY-HJWRWDBZSA-N 267.332 3.700 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccc(OC(F)F)cc1 620864015 MFHQNCZCTRHZGY-UHFFFAOYSA-N 297.345 3.692 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc2c(cn1)CCCC2 464087363 BDXYJRAKPUBLCO-OAHLLOKOSA-N 285.391 3.533 30 20 CHED CCN(C(=O)c1ncc(C#N)cc1C)c1cccc(C)c1C 549611783 FJCFMBBFFDBMHQ-UHFFFAOYSA-N 293.370 3.545 30 20 CHED C=CCCN(C)Cc1cccc(OCC)c1OCCC 467378332 UUQMUTMZGVOLBP-UHFFFAOYSA-N 277.408 3.882 30 20 CHED C=CCC[C@H](CC)NC[C@]1(C)CCO[C@H]1C1CC1 372095010 MLJHOWHXTAUDRB-JYJNAYRXSA-N 251.414 3.526 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc(Br)cc1C 288484555 ACXFXLGZAKJNNV-ZDUSSCGKSA-N 296.164 3.603 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1C[C@@H]1Cc1ccccc1 462883488 LVZFDRCBMBSQRY-SUMWQHHRSA-N 266.319 3.740 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1OCC1CC1 466541038 QBMIEBIRLCDGNP-CQSZACIVSA-N 273.376 3.560 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(OCCCCC)cc1 465102689 MPRYUMNJFLZHFS-CYBMUJFWSA-N 261.365 3.560 30 20 CHED CCCCCCCC(=O)Nc1ccc(-c2cncnc2)cn1 280988868 CCKMRMJLZZTRFL-UHFFFAOYSA-N 298.390 3.838 30 20 CHED CC(C)n1ncc2c1[C@H](Nc1ccc(F)cc1C#N)CCC2 375161264 RFJWGCZVQJDEBH-MRXNPFEDSA-N 298.365 3.964 30 20 CHED C[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C)c1cccc(C#N)c1 462117571 CAXKAMIJKJYWKD-NONVJHHQSA-N 296.414 3.841 30 20 CHED C=CCCCCCN[C@H](C(C)C)C1(CO)CCC1 555728523 VIOVCPFGUOETNG-OAHLLOKOSA-N 253.430 3.510 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2c2ccc(Cl)cc2)c1 286296176 YCAWQWQSICIETQ-OAHLLOKOSA-N 283.762 3.948 30 20 CHED C=CCC[C@H](NC[C@H]1CCC[C@@H]1OC)c1ccco1 552061264 DHWWTYLVFLOYOR-ILXRZTDVSA-N 263.381 3.692 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC(C(C)C)CC1 461437264 SHLWNUSSKZYVDL-UHFFFAOYSA-N 287.403 3.760 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cscc1Cl)OCC 636438974 RBBXEEDHZXDUIJ-NSHDSACASA-N 273.785 3.711 30 20 CHED Cc1ccc(O[C@@H](C)CNc2nc(C)cc(C)c2C#N)cc1 463068444 GPAFCSXOFRCFGQ-HNNXBMFYSA-N 295.386 3.758 30 20 CHED C#CCCCCN[C@H]1CCC[C@H](c2ncccc2C)C1 281652021 PSSHXDJGWYWIIL-IRXDYDNUSA-N 270.420 3.809 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2NC2CC2)o1 281295497 YIOVTMDZTKOZLE-UHFFFAOYSA-N 295.342 3.595 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc(OC(F)F)cc1 281166075 XGVKNUSLCDYKOH-ZDUSSCGKSA-N 297.345 3.692 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2ccnc(C#N)c2)C1 553061370 ZVCPQHGKJDOMJR-SFHVURJKSA-N 277.371 3.511 30 20 CHED C=CC(C)(C)C(=O)NCC[C@H](C)c1ccc(OC)cc1 294797524 BVCPJLANQSXBOF-ZDUSSCGKSA-N 275.392 3.517 30 20 CHED C=C(Br)CN1CCC[C@@H](C(C)(C)C)C1 708550072 WCFZIUQIEUTDTC-LLVKDONJSA-N 260.219 3.653 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(OC(C)C)n2)n1 551469652 FLRFFUDGNAWZPD-UHFFFAOYSA-N 287.363 3.773 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@H]1CSC 806004423 IXBAVVGCQMJPBU-AWEZNQCLSA-N 284.469 3.660 30 20 CHED CCN(CCC#N)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 701309705 VINZCOXJMQMKGK-SNAWJCMRSA-N 297.185 3.769 30 20 CHED C#C[C@@H](NCc1ccc(OCC(F)(F)F)cc1)C(C)(C)C 809780955 BMVLXGHFHRISGB-CQSZACIVSA-N 299.336 3.765 30 20 CHED COC(=O)c1cc([C@H](C)Nc2ccc(CC#N)cc2)oc1C 292355864 FKCUPUTYTXAAHJ-NSHDSACASA-N 298.342 3.614 30 20 CHED Cc1ccc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)cn1 564234227 QOYCPLMVUKRBOH-UHFFFAOYSA-N 296.717 3.632 30 20 CHED COc1cc([C@H](C)NCCc2cccc(C#N)c2)ccc1F 567280896 ZMTCOJSBRRZOEP-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED CC[C@@H](C)CONC(=O)Nc1ccc(C(C)(C)C#N)cc1 291753858 KPWPMUQMHAPEAA-GFCCVEGCSA-N 289.379 3.587 30 20 CHED CC#CCCCC(=O)N1C[C@@H]2CCCCN2c2ccccc21 294513283 YLMIJZCLOZFHOO-INIZCTEOSA-N 296.414 3.586 30 20 CHED Cc1csc(NC(=O)c2sc(Cl)nc2C)c1C#N 809005609 NASPLQDXCUAOLD-UHFFFAOYSA-N 297.792 3.599 30 20 CHED CC1(c2ccccc2)CC(=NNCC2CCCC2)C1 808006412 SRVYGVMPVCBMPK-UHFFFAOYSA-N 256.393 3.874 30 20 CHED C[C@@H](NCCCOc1ccc(C#N)cc1)c1ccsc1 801569627 AAMNBXKEFDCBEQ-CYBMUJFWSA-N 286.400 3.739 30 20 CHED C#C[C@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(C)(C)C 807879663 ZJMUDROPZCJUNK-ZDUSSCGKSA-N 298.213 3.700 30 20 CHED CCC(=NN[C@@H]1CCSC1)c1ccc(Cl)s1 807998729 AFSCEIXXBSJPON-MRVPVSSYSA-N 274.842 3.611 30 20 CHED CCOc1ccccc1C=NOCCSC(C)(C)C 802726833 QZUHQYAESZAVKB-UHFFFAOYSA-N 281.421 3.968 30 20 CHED C#C[C@H](C)N[C@H](C)CCCOc1ccc(Cl)c(C)c1 809684118 OMHGLLUXEPEZFF-UONOGXRCSA-N 279.811 3.807 30 20 CHED C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)CCCC#N)C1 291448825 LAVFPTMMWAWKDI-HOCLYGCPSA-N 270.376 3.680 30 20 CHED CCCCCCCCCC(=O)NC[C@H]1CCOC[C@@H]1C 804616456 FBZIXVKOTYKAHQ-JKSUJKDBSA-N 283.456 3.916 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 471709136 LOWNEAUENIPQHL-IEBWSBKVSA-N 283.415 3.753 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)c(Cl)c1 567613366 BRLSZKZPBYUBIM-YNEHKIRRSA-N 288.778 3.781 30 20 CHED CCCCCCCCCCC(=O)N1CCO[C@@H](C)C1 818513065 VFWASAJAUIPAEO-HNNXBMFYSA-N 269.429 3.765 30 20 CHED C=CCC(C)(C)CNC(=O)CCCc1ccc(O)c(F)c1 489856816 HQYZHVZITBZDQZ-UHFFFAOYSA-N 293.382 3.573 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)nc1 564358620 UYPPSKWIIPSORF-UHFFFAOYSA-N 299.333 3.873 30 20 CHED C=CCCCCCS[C@H]1CCCN(C(C)C)C1=O 485564994 ARTWWOVVSNZIFO-AWEZNQCLSA-N 269.454 3.865 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@H]1Nc1cc(C#N)ncn1 566775142 YOKWAKHJJSIMML-QAPCUYQASA-N 292.386 3.720 30 20 CHED CCCC(=NOCc1ccc(F)cc1)c1ccccn1 814903710 WUJFHAGIKGRZBO-UHFFFAOYSA-N 272.323 3.942 30 20 CHED C=C(C)CCN[C@H](CC)c1cc(OC)c(OC)c(OC)c1 652204492 UJAMACOAVYYLSS-CQSZACIVSA-N 293.407 3.719 30 20 CHED CC(CCC1CCCC1)=NNC[C@H]1CCSC1 811662432 KTKKEFOWQCVUPV-CQSZACIVSA-N 254.443 3.675 30 20 CHED N#Cc1cccc2c1CCN2C(=O)C1CCCCCCC1 817470339 VPPOMBZCHRGIJP-UHFFFAOYSA-N 282.387 3.808 30 20 CHED CC(=NN[C@@H](C)COc1ccccc1)c1cc(C)oc1C 811665580 QRCUEZUTZLIXTL-LBPRGKRZSA-N 286.375 3.678 30 20 CHED C=CCCCCOC(=O)c1ccc2ccccc2n1 811011108 MSYGBHYAYPJZGQ-UHFFFAOYSA-N 255.317 3.748 30 20 CHED CC(=NOCc1ccccc1)c1cccc(CN(C)C)c1 814792333 PHSVGJZODDNFGB-UHFFFAOYSA-N 282.387 3.689 30 20 CHED C#CCCCC(=O)OCc1ccc(C(C)C)nc1CC 815238725 DCAFWOKAEQLCCE-UHFFFAOYSA-N 273.376 3.614 30 20 CHED C=CCCN[C@@H](C)c1ccc(SC)c(OC)c1 658115923 FONCTBWNYYUVLS-NSHDSACASA-N 251.395 3.644 30 20 CHED Fc1ccc(CON=Cc2ccc(Br)o2)cc1 814903561 OZNSKTKPWMQMCH-UHFFFAOYSA-N 298.111 3.732 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC2(CCCCC2)C1 815568282 BTTSGFDNRVUABK-UHFFFAOYSA-N 271.351 3.771 30 20 CHED CCn1nc(CN2CCCC(C)(C)[C@H]2C#N)c2ccccc21 571372108 UEZYNPVMZVLCOS-QGZVFWFLSA-N 296.418 3.570 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)CCCN2C 819265017 KMIBZWITUJAXKR-UHFFFAOYSA-N 272.392 3.610 30 20 CHED CCCC(=NNc1cccc([N+](=O)[O-])c1)c1ccccn1 814694426 JVKGJEOPZGWWHX-UHFFFAOYSA-N 284.319 3.606 30 20 CHED C=CCNN=C(CSC)c1ccc(C(F)(F)F)cc1 814927934 NWOMQHRQLRBOPF-UHFFFAOYSA-N 288.338 3.548 30 20 CHED CC[C@H](Nc1ccc(C#N)c(C)n1)c1ccccc1OC 813586506 ZWZRDRKKXLVCBL-HNNXBMFYSA-N 281.359 3.834 30 20 CHED CCS[C@H]1CCCCN(Cc2ccc(C#N)c(C)c2)C1 487908766 LZHBUUMXPVUVIY-KRWDZBQOSA-N 288.460 3.974 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]2CCC[C@@H]21 480550946 GLIQUDFZKSYSSI-LRDDRELGSA-N 274.795 3.976 30 20 CHED C=CCC1(C(=O)N2Cc3ccc(OC)cc3C2)CCCC1 654174080 AVWNAAUEWVQALV-UHFFFAOYSA-N 285.387 3.674 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)Cc2ccc(F)cc2)c1 728481922 VJDUSSOYADOJRM-AWEZNQCLSA-N 295.357 3.649 30 20 CHED C#C[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1F 491738325 WPNNYAILFVFJDS-KRWDZBQOSA-N 298.748 3.815 30 20 CHED Cc1ccsc1/C=C1/CCc2cc(O)ccc2C1=O 726427292 JFDKRFOJHHMQAG-XFXZXTDPSA-N 270.353 3.975 30 20 CHED C=C(C)CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 490039949 LWTZBQUTDXXCRV-UHFFFAOYSA-N 277.673 3.665 30 20 CHED Cc1ccsc1CCN[C@@H]1CCc2ccc(C#N)cc21 581219994 GXKABKHHGMNZLN-MRXNPFEDSA-N 282.412 3.748 30 20 CHED CC[C@H](CC#N)N[C@@H](C)c1ncc(-c2ccccc2)o1 583639820 SCEQQQGFPZLDHL-GXTWGEPZSA-N 269.348 3.684 30 20 CHED C=CCCC(=O)N(C)Cc1ccc(Cl)cc1Cl 588016982 WXBRBODSCWSFNH-UHFFFAOYSA-N 272.175 3.918 30 20 CHED C=CCC[C@H](NC[C@@H](C(C)C)N1CCCC1)c1ccco1 583515640 LNGJMXBQROPCEZ-IRXDYDNUSA-N 290.451 3.997 30 20 CHED C=CCN(CCc1ccco1)Cc1c[nH]nc1C(C)(C)C 495181236 DAPOPKREYIITSK-UHFFFAOYSA-N 287.407 3.531 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCc3ccc(C)cc3C2)c1 664225015 VTGBPDOWHKCYIH-UHFFFAOYSA-N 290.366 3.632 30 20 CHED C/C=C/C=C\C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 491648034 YAYLQKUAXHOPDR-FBALNWLNSA-N 294.276 3.519 30 20 CHED C=C(Cl)CNC(=O)c1ccc(Oc2ccccc2)cc1 736238268 HPOGSQOQBPSXFQ-UHFFFAOYSA-N 287.746 3.961 30 20 CHED C=CCOc1ccc(-c2nc([C@H](CC)OCC)no2)cc1 665032892 NXHKVHLZZXNPHG-AWEZNQCLSA-N 288.347 3.789 30 20 CHED CC(=O)c1ccc(OCc2ccc(OCC#N)cc2)c(C)c1 731158362 GQPGPZUWGCKGNC-UHFFFAOYSA-N 295.338 3.679 30 20 CHED C=C1CCN(Cc2ccc(-c3ccc(C(=O)O)cc3)o2)CC1 902232421 XSBIXVZBMLFWAP-UHFFFAOYSA-N 297.354 3.797 30 20 CHED C=C(C)CN(CCC)[C@H](C)C(=O)Nc1ccccc1C 490041167 MBOUWZZNPSWCGO-OAHLLOKOSA-N 274.408 3.610 30 20 CHED CC(C)CN(CCC#N)Cc1cc(F)cc2cccnc12 739915436 ZQQSVTCOZHUZMV-UHFFFAOYSA-N 285.366 3.746 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C)C[C@@H](C)C#N 735039941 IGIDLNKSFZLYII-KBPBESRZSA-N 252.402 3.601 30 20 CHED N#C[C@@]1(C(=O)OCc2sccc2Cl)CC12CCCC2 837902788 OJGUFKHWNISQEI-CQSZACIVSA-N 295.791 3.919 30 20 CHED C[C@H](C=NN[C@@H](C)C(F)(F)F)CCc1ccccc1 835001104 NOSODKAHYKIVIM-RYUDHWBXSA-N 272.314 3.782 30 20 CHED C=CCN(CC(=O)Nc1cccc(SC)c1)C(C)(C)C 661755699 OUSZHUWLSOTCGV-UHFFFAOYSA-N 292.448 3.634 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1cc(C)ccc1OC 903099999 FMGVCZXNGLTRCZ-AWEZNQCLSA-N 260.381 3.594 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)CCc1ccc(C#N)cc1 736032921 JDBGBIMTVNKOHU-KEYYUXOJSA-N 285.387 3.859 30 20 CHED C#CCCCN[C@H](C)c1ccc(Oc2ccccc2)cn1 834606028 CMEGMCBIPATUPU-OAHLLOKOSA-N 280.371 3.938 30 20 CHED CC(C)C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CCO1 584868919 OYWOKTRXLFNYLE-SCTDSRPQSA-N 298.430 3.729 30 20 CHED CCC(CC)NN=C(C)c1cnc2ccsc2c1 739412325 WHGACNMZPYRDRI-UHFFFAOYSA-N 261.394 3.799 30 20 CHED COC(=O)c1cccc(NN=C(C)CC(C)(C)C)c1F 835018826 HTGCXEHAFOPVKI-UHFFFAOYSA-N 280.343 3.836 30 20 CHED C#CCOc1ccccc1OC(=O)c1cc(C)sc1C 730511257 INZQOHWFNILHJW-UHFFFAOYSA-N 286.352 3.596 30 20 CHED COc1ccccc1[C@H](NCC1(C#N)CC1)C1CCCC1 903106825 WGULZMYMMAVCRU-QGZVFWFLSA-N 284.403 3.820 30 20 CHED C#C[C@@H](CC)NC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 836424928 QLLRPJLLOGNPFW-DLBZAZTESA-N 296.414 3.725 30 20 CHED N#Cc1cccc(NC(=O)/C=C/C2CCCCC2)c1 735422716 YYCWWCXBANAZCK-MDZDMXLPSA-N 254.333 3.633 30 20 CHED C=CC[C@@H](NC(=O)O[C@@H](C)CC(C)C)c1ccncc1 830536036 ZIOHYRADRXCNMT-DZGCQCFKSA-N 276.380 3.860 30 20 CHED Clc1c(C=NNc2cccnn2)sc2ccccc12 735973962 ZSSOIVKXLCEJMV-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(OC)c1F 836529418 YGCNRARRUMMJIF-UHFFFAOYSA-N 280.343 3.558 30 20 CHED CC(=NNc1nccnc1Cl)c1ccc(C)cc1C 733078349 CFWYJNUGLIGPJL-UHFFFAOYSA-N 274.755 3.583 30 20 CHED C=C(CC)CN[C@H](C(=O)O)c1ccc(Cl)cc1Cl 833371347 ZNUZFHMUKRIBFL-LBPRGKRZSA-N 288.174 3.675 30 20 CHED CCCN(C(=O)c1ccc(C#N)n1C)c1ccc(CC)cc1 836851904 PASDEOJMFINOGD-UHFFFAOYSA-N 295.386 3.516 30 20 CHED COc1ccc(O)c(C(C)=NNc2cc(C)ccc2C)c1 916345648 KFRRHYBLDMENKR-UHFFFAOYSA-N 284.359 3.854 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)Nc1ccccc1O[C@H](C)C#N 839323193 YTIYPFRKWNLROA-AHIWAGSCSA-N 286.375 3.742 30 20 CHED C=CCC[C@H](C(=O)O[C@H]1CCOC[C@H]1C)c1ccccc1 835771470 KBXOVSLPVKICRQ-PVAVHDDUSA-N 288.387 3.705 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccccc2N(C)C)c1 834903977 ULCKPYHYOQULRF-OAHLLOKOSA-N 278.399 3.585 30 20 CHED C=CCN(C(C)C)S(=O)(=O)c1ccc([C@@H](C)CC)cc1 917657444 RBXXFQDZJCWXJD-AWEZNQCLSA-N 295.448 3.785 30 20 CHED Cc1cc(C)c(NN=Cc2ccc(C(=O)O)cc2)c(C)c1 916339054 ADQNJAPQJOKLGM-UHFFFAOYSA-N 282.343 3.756 30 20 CHED N#Cc1nc(Sc2ccc(O)cc2)sc1Cl 590574092 ARDYZBZPQJOHIH-UHFFFAOYSA-N 268.750 3.525 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(F)cc1F 916268327 YTXJPZKCYSIVIT-UHFFFAOYSA-N 264.250 3.940 30 20 CHED Cc1cc(C)cc(C=NNc2cc(Cl)nc(C)n2)c1 741766457 LRIYUSRZVRTPBB-UHFFFAOYSA-N 274.755 3.501 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2occc2s1 678881417 KYIMKXYMMYEXTF-SNVBAGLBSA-N 263.362 3.969 30 20 CHED CC[C@@H](CC(=O)Nc1cc(C#N)ccc1O)c1ccccc1 748005574 WMKSLNOZLYCXLG-AWEZNQCLSA-N 294.354 3.786 30 20 CHED C[C@@H](c1c(F)cccc1F)N1CCC[C@H](CC#N)C1 595611236 ICQMHMLEWSRZEZ-NWDGAFQWSA-N 264.319 3.651 30 20 CHED CC(=NNc1nc(O)c2ccccc2n1)C1C(C)(C)C1(C)C 746578842 RNSAUFIYWODYSC-UHFFFAOYSA-N 298.390 3.805 30 20 CHED COC[C@H](C)Oc1ccc(CNc2cccc(C#N)c2)cc1 594933676 AZRVQQLWGYYUME-AWEZNQCLSA-N 296.370 3.584 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(C)cc1O 747642296 LZONKOVGEQWGKY-UHFFFAOYSA-N 294.276 3.954 30 20 CHED COc1ccc(C=NNc2ncccc2Cl)c(Cl)c1 917546709 UPLXLPDFFPKSPV-UHFFFAOYSA-N 296.157 3.843 30 20 CHED Clc1cccnc1NN=Cc1ccc2ncccc2c1 917549046 HEQDCNOILJMOQU-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CC1(C)CCc2c(OCC3(CC#N)CC3)cccc2O1 596278109 KCEAVXNGPHASMJ-UHFFFAOYSA-N 271.360 3.863 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CCCS1 743316245 PIKRCWPDSUXBAM-KGLIPLIRSA-N 271.470 3.995 30 20 CHED CN1[C@H]2CC[C@H]1CC(/N=C\c1c(O)ccc3ccccc13)C2 840708845 IZVAWOREKHVZQN-ALVQJFKWSA-N 294.398 3.590 30 20 CHED CC1(C)CC[C@@H]1NCc1ccc(C#N)cc1Br 846960784 QJTNPBZYGUZQEF-ZDUSSCGKSA-N 293.208 3.599 30 20 CHED N#CCC1(Cn2cc(-c3cccc4c3CCCC4)nn2)CC1 594653986 RYTUBOAJSAQDDU-UHFFFAOYSA-N 292.386 3.518 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1c(F)cccc1F 590199065 ORQFONOHBSWERG-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=CCN(C(=O)c1cc(OC)cc(Cl)c1F)C(C)C 840321478 QBAYSOKOIMXQQI-UHFFFAOYSA-N 285.746 3.524 30 20 CHED Fc1ccc2c(c1)CCCC2=NNc1nc2ccccc2[nH]1 747625028 ASYCYVRHSFOYRY-UHFFFAOYSA-N 294.333 3.855 30 20 CHED C=CCN(C(=O)/C=C\c1ccc(Cl)s1)C(C)C 915153539 PMQIXAQSERGLMU-VURMDHGXSA-N 269.797 3.838 30 20 CHED C=CCN(C(=O)CCCc1c(F)cccc1F)C(C)C 846812690 WCXVUKIQJQFMFG-UHFFFAOYSA-N 281.346 3.711 30 20 CHED C=CCC1(NC(=O)c2cc(CSCC)on2)CCCC1 598295450 GENZHMLDYVBXKL-UHFFFAOYSA-N 294.420 3.546 30 20 CHED Clc1cccc(NN=C[C@H]2CCCOC2)c1Cl 841645494 OULSXBMZHWGANB-SECBINFHSA-N 273.163 3.818 30 20 CHED CCC1(CNC(=O)CC2(C#N)CCCCC2)CCC1 597364722 VJCKAXCDTYLLIR-UHFFFAOYSA-N 262.397 3.547 30 20 CHED CCCCCCCOC(=O)c1cccc(OC)c1OC 918493239 MHUQXJOBAZKDBZ-UHFFFAOYSA-N 280.364 3.831 30 20 CHED CCN(C(=O)c1cc2c(s1)CCCCCC2)[C@@H](C)C#N 598352927 GKYWYFRMARSPMD-LBPRGKRZSA-N 290.432 3.781 30 20 CHED N#CC[C@@H]1CCCN(CCCOc2cccc(Cl)c2)C1 595613537 FBRGAELDLJWDOR-AWEZNQCLSA-N 292.810 3.735 30 20 CHED CC(=NNc1ncccc1F)[C@H]1C[C@H]2C=C[C@H]1CC2 842533081 KXFCFGNKGQLNGY-RWMBFGLXSA-N 259.328 3.611 30 20 CHED CC[C@H](C#N)N(C)C(=O)C(C)(C)c1cccc2ccccc12 594092281 SNNBCFLREZXCES-OAHLLOKOSA-N 294.398 3.878 30 20 CHED CCOc1ccc(O)c(/C=N/CC(C)(C)c2cccnc2)c1 840714008 WQONUWGKGMIIGN-RGVLZGJSSA-N 298.386 3.583 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)CC2(C)CCCCC2)n1 598851979 FPXQUAPIXJPQCD-UHFFFAOYSA-N 285.391 3.869 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)C(=O)Nc1cccc(C)c1)C(C)(C)C 744028371 HMXXXKHNMIXPGC-NRMKIYEFSA-N 298.386 3.635 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)C[C@H](C)CC)c1 743083923 GFRXUXFXBNDYGA-OLZOCXBDSA-N 258.365 3.614 30 20 CHED C=CCCOCc1nc(-c2cccc(OCCC)c2)no1 680731669 RQFXVOHAYVTLNV-UHFFFAOYSA-N 288.347 3.618 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(N2CCCCCC2)c1 593483222 ZSVAXWFSLXWNCH-CQSZACIVSA-N 285.391 3.555 30 20 CHED C=CCN(CCc1ccccc1)C[C@@H](O)c1ccc(F)cc1 744211445 PAVFFNDJHTZBSE-LJQANCHMSA-N 299.389 3.590 30 20 CHED CCOc1cc(N[C@H](C)c2cccc(C#N)c2)c(F)cn1 596145150 RHSUCGBYVREQNC-LLVKDONJSA-N 285.322 3.664 30 20 CHED CCOc1ccc(/C=C2\Oc3ccccc3C2=O)cc1OC 742436381 KQSRICBRYHDDHI-BOPFTXTBSA-N 296.322 3.710 30 20 CHED C[C@@H](C(=O)OCCCCC#N)c1cccc(Cl)c1 744139081 ISVIJMHREWPQEM-LLVKDONJSA-N 265.740 3.681 30 20 CHED C=CC[C@@H](CC)NC(=O)c1snc(Cl)c1Cl 846064523 NMADRYSMZIHQJH-ZCFIWIBFSA-N 279.192 3.534 30 20 CHED CC(C)(C(=O)OCc1ccc(F)c(C#N)c1)C1CCCC1 757844312 YHWXFFJOPWFMJV-UHFFFAOYSA-N 289.350 3.957 30 20 CHED C#CCCCC(=O)Oc1ccc(OCc2ccccc2)cc1 757776198 APOXBNKVRYLPTN-UHFFFAOYSA-N 294.350 3.975 30 20 CHED CN1CCc2cc(/C=C3\Cc4cc(F)ccc4C3=O)ccc21 751534948 KVSXJKFREBVAQY-OQLLNIDSSA-N 293.341 3.640 30 20 CHED C[C@H]1CCCC[C@H]1CNc1ccc(F)cc1OCC#N 753570353 MMSWLJYXTDKESL-STQMWFEESA-N 276.355 3.966 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)O[C@@H](C)CC(C)(C)C#N 851205967 NCEVQVFPEWPLOJ-VHSXEESVSA-N 279.302 3.837 30 20 CHED COCc1csc(C(=O)O[C@H](C#N)C2CCCCC2)c1 850075292 NYZUESDNFYYCBT-CYBMUJFWSA-N 293.388 3.524 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1nc2ccccc2s1 929727617 KLSYJUHVNSQQQT-NSHDSACASA-N 274.389 3.515 30 20 CHED O=C(O)c1cccc(NN=C[C@H]2CCCc3ccccc32)c1 752158106 URXCXNADMVLGIW-OAHLLOKOSA-N 294.354 3.903 30 20 CHED C#CCCCC(=O)N(c1ccc(Cl)cc1)C(C)C 758211170 QIADFNHCMWLMRI-UHFFFAOYSA-N 263.768 3.885 30 20 CHED C[C@H]1C[C@H]1C=NNc1cc(C(F)(F)F)ccc1F 753948064 VZNHKIUQZUPCIS-YUMQZZPRSA-N 260.234 3.898 30 20 CHED Clc1cc(NN=Cc2cnc(C3CC3)s2)ccn1 853395218 PBQFGRGHNWLTDQ-UHFFFAOYSA-N 278.768 3.515 30 20 CHED COc1cc(F)cc(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)c1 759212505 HVPLTZFIAVXLFK-BONVTDFDSA-N 288.322 3.997 30 20 CHED C=C[C@H](CC(=O)Nc1n[nH]c(C2CC2)c1C)c1ccccc1 758988624 PEGUDZWRBWNEKY-CYBMUJFWSA-N 295.386 3.894 30 20 CHED C[C@H](CC=NNc1ncccc1[N+](=O)[O-])c1ccccc1 755770267 XKQVRMJETZXBKZ-GFCCVEGCSA-N 284.319 3.581 30 20 CHED CO[C@@H](C=NNc1ccc([N+](=O)[O-])cc1C)C1CCCC1 853346017 PNRXAAGRSUCXCP-HNNXBMFYSA-N 291.351 3.506 30 20 CHED C[C@@H]1CN(c2nc(C#N)c(Cl)s2)Cc2ccccc21 853090309 KKPYUBSWPIPIDR-SECBINFHSA-N 289.791 3.792 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1cc(F)cc(F)c1)OCC 756579181 JSZGSPJBHNAKQX-XHDPSFHLSA-N 298.329 3.940 30 20 CHED COc1cc(C(=O)O)ccc1NN=C[C@H](C)c1ccccc1 756905860 NLNZGULHZHJJPK-LBPRGKRZSA-N 298.342 3.595 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)OCC2(C#N)CCC2)cc1C 850272235 NXYADIHMCUUIDR-JKSUJKDBSA-N 283.371 3.644 30 20 CHED C#CC[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccccc1 756957236 MZESDNHSNOLQTO-CQSZACIVSA-N 284.290 3.910 30 20 CHED C[C@H]1CCCCC1=NNc1cncc(Br)c1 758122975 PIDXLUOFGZWRLU-VIFPVBQESA-N 282.185 3.822 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1ccccc1)OCC 756475587 CUQUCJASNVTSMD-HIFRSBDPSA-N 262.349 3.662 30 20 CHED CC1(CCC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 935027287 ILKFFJMUMRGDDP-HNNXBMFYSA-N 270.376 3.728 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(Cl)nc1 759083804 QZQDEPHLEYYPPT-ARJAWSKDSA-N 279.748 3.701 30 20 CHED Cc1ccc(C)c(OCCCN(CCC#N)CC(C)C)c1 755669685 GZQCLEAFCHFMAK-UHFFFAOYSA-N 288.435 3.944 30 20 CHED C#CCCCC(=O)N(CCC)Cc1ccc(C)cc1 757856422 QVJVVRPRLFYQKW-UHFFFAOYSA-N 257.377 3.537 30 20 CHED Cc1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1F 761144587 RPHMDYZJTOYYIM-GFCCVEGCSA-N 283.302 3.924 30 20 CHED CCCCCC(C)(C)C(=O)Nc1cc(CC#N)ccn1 763909861 SFMYSIHMIZSXFN-UHFFFAOYSA-N 273.380 3.693 30 20 CHED C#CCCc1noc(-c2ccc(C)c(C)c2Cl)n1 762010866 CBQDZOYDHNQLGD-UHFFFAOYSA-N 260.724 3.573 30 20 CHED C=C[C@H](CC)CC(=O)N1CCn2c(Cl)ccc2[C@@H]1C 936008649 ROOJXRBVSNFDDC-NWDGAFQWSA-N 280.799 3.647 30 20 CHED Cc1cc(CN(CCC#N)CCC(C)C)cnc1Cl 769335916 UYVAHVVKKLAGHU-UHFFFAOYSA-N 279.815 3.805 30 20 CHED C#CCCc1noc([C@H](C)Cc2cccc(Cl)c2)n1 762009961 YNVVDXRASKCRFU-LLVKDONJSA-N 274.751 3.635 30 20 CHED CC(=NNc1ccc(F)c(Cl)c1)[C@@]1(C)CCCO1 863178906 KHILQJRDDANOBH-CYBMUJFWSA-N 270.735 3.836 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1cnccn1)CCCO2 767772817 ZTXXIQMVEKLZSK-UHFFFAOYSA-N 296.374 3.589 30 20 CHED C=CC[C@H](N[C@H]1C[C@@H](OC(C)C)C1(C)C)c1ccncc1 765804270 RVCTXWVFKHJWJC-YESZJQIVSA-N 288.435 3.881 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccccc1Sc1ccccc1 767263762 ZVDURZJNESOTPO-CQSZACIVSA-N 295.407 3.932 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)o1)c1cc(C)ccc1C 863274530 QILZHNCBJGTYRL-HNNXBMFYSA-N 282.343 3.649 30 20 CHED CS[C@H](C)CCC(=O)O[C@H](C#N)C1CCCCC1 762929005 OLGMIPWYAGGKFC-DGCLKSJQSA-N 269.410 3.534 30 20 CHED Cc1cncc(C(=O)/C=C/c2cc(C)ccc2F)c1 767365917 CFCNCWBOMZRTTP-GQCTYLIASA-N 255.292 3.734 30 20 CHED CC#CCCOC(=O)c1cnc(-c2ccccc2F)s1 760293815 BZXMQDWXYJGWOC-UHFFFAOYSA-N 289.331 3.519 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)c1ccc(F)c(C)c1 874925618 OWQMBLXFACYSRF-UHFFFAOYSA-N 286.306 3.574 30 20 CHED C=CCN(C)Cn1ccn(-c2ccc(C)c(C)c2)c1=S 777543966 IVKXGQBMZMIMIF-UHFFFAOYSA-N 287.432 3.700 30 20 CHED CCOC(=O)[C@H]1CCC(=NOC2CCCCC2)C[C@H]1C 777458795 LWQUABWHECOXFI-DOMZBBRYSA-N 281.396 3.691 30 20 CHED COCCC1(C/N=C\c2ccccc2O)CCCCC1 773904080 BQOLORJSGPHKHD-AQTBWJFISA-N 275.392 3.798 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccc2c(c1)COC2 777936750 YRNXRSDKEMCBDY-UHFFFAOYSA-N 293.370 3.632 30 20 CHED COc1cccc(NN=C(C)c2ccc(F)c(Cl)c2)n1 779819994 ZYADZDXYIJDPMG-UHFFFAOYSA-N 293.729 3.719 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2cscn2)cc1 776191680 FUUWDNQZOMXUQY-VOTSOKGWSA-N 295.367 3.738 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ncc(C)cc1C 779879445 NKYXXROXYAEHIJ-UHFFFAOYSA-N 294.398 3.569 30 20 CHED COc1cccc2cc(C=NN[C@H]3C[C@H]4CC[C@H]3C4)oc12 774597773 SECCICBPQLSCDI-HUBLWGQQSA-N 284.359 3.554 30 20 CHED C=C(CC)CSCC(=O)N[C@H](C)CCCCC 773290613 QDSQNPZBVOQHCW-CYBMUJFWSA-N 257.443 3.771 30 20 CHED C#CC[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1 775400688 RLUICOGTULCOFG-LJQANCHMSA-N 277.342 3.531 30 20 CHED C[C@@H](COc1ccccc1)N[C@@H](C)c1cccc(C#N)c1 776158374 FPMBHZSKQJPGSO-GJZGRUSLSA-N 280.371 3.676 30 20 CHED O=C(/C=C/c1cc2ccccc2o1)c1cscn1 776190897 CMSAOLOHLBHWSN-AATRIKPKSA-N 255.298 3.785 30 20 CHED Cc1ccc(N2CCN(CCC(C)(C)C#N)[C@@H](C)C2)cc1C 776592999 SLGAFDVRBLZGMR-KRWDZBQOSA-N 299.462 3.754 30 20 CHED N#CCc1ccc(COC(=O)c2coc3ccccc23)cc1 776114030 JISMQIIAFNNVFE-UHFFFAOYSA-N 291.306 3.856 30 20 CHED C=CC(C)(C)CC(=O)NCCC[C@H]1CC1(Cl)Cl 880579301 QNIBLEYTXNUKPW-JTQLQIEISA-N 278.223 3.679 30 20 CHED C=C1CCC(C(=O)N[C@H](c2nc(C)cs2)C2CC2)CC1 889222704 XWWKKOGICNIXCA-AWEZNQCLSA-N 290.432 3.765 30 20 CHED C=CCC[C@@H](Nc1ccc(N(C)C(=O)NC)cc1)C1CC1 883317498 JXZWHEXKPZBYEP-MRXNPFEDSA-N 287.407 3.619 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 780915212 JYLQUJHNCYUFNP-GJZGRUSLSA-N 272.392 3.924 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 780915214 JYLQUJHNCYUFNP-LSDHHAIUSA-N 272.392 3.924 30 20 CHED Cc1noc(C)c1[C@@H](C)CC(=O)OCCCC(C)(C)C#N 784367378 LHMAKAXTXYJTCV-NSHDSACASA-N 292.379 3.658 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1coc2ccccc12 782285580 BKJMENMLMLQJDB-OAHLLOKOSA-N 256.349 3.935 30 20 CHED CCCCCCCS(=O)(=O)C/C(C)=C/Cl 899495055 AANSBMRLEVGFCT-PKNBQFBNSA-N 252.807 3.514 30 20 CHED C/C(C=NN[C@@H]1C[C@H]2CC[C@H]1C2)=C\c1cccc([N+](=O)[O-])c1 787163592 WFWIDTYMFYJZBO-OIZYIJECSA-N 299.374 3.762 30 20 CHED C#CCC1(C(=O)N(C)Cc2ccsc2)CCCCC1 788137038 RTGCIDRMASLEBL-UHFFFAOYSA-N 275.417 3.680 30 20 CHED N#CCSCCCN1CCC[C@H]1c1cccs1 74980667 CICJVGUQLVGJBK-LBPRGKRZSA-N 266.435 3.532 30 20 CHED C=CCCCCCOC(=O)[C@@H](OC)c1ccccc1 783013986 JEXOGYUXQASBGE-HNNXBMFYSA-N 262.349 3.664 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@H]2CC[C@@H](C)C2)cc1 793346736 JOHLTUSFHWNJEB-YCPHGPKFSA-N 272.392 3.503 30 20 CHED C=CCCCCCOC(=O)c1cc2nccnc2cc1F 795873262 PYAHYWRTZBQCTA-UHFFFAOYSA-N 288.322 3.672 30 20 CHED C#CCCCOc1c(C)cc(F)cc1Br 794729919 OJGQBFCCJCSPEV-UHFFFAOYSA-N 271.129 3.689 30 20 CHED O=C(/C=C\c1ccc(C(F)F)cc1)c1cncs1 794942013 FSAJBXVSBFHSHS-UTCJRWHESA-N 265.284 3.977 30 20 CHED CO[C@H]1CCC[C@H](CC(=O)OCCCCC(C)(C)C#N)C1 796063590 RJTIWBYRTQQVKV-GJZGRUSLSA-N 295.423 3.845 30 20 CHED CCCCCCCNC(=O)c1ccoc1Br 703786480 FEYGAPDBYPPFBN-UHFFFAOYSA-N 288.185 3.742 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1cc2ccccc2o1 796992386 PMIIKOACXZLSJT-SREVYHEPSA-N 296.278 3.709 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1coc2ccccc12 790307523 YLYCAFGQYOXOTG-UHFFFAOYSA-N 299.261 3.926 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(N2CCCC2=O)cc1 793144090 BOBPKFFVPKCVEF-CYBMUJFWSA-N 288.391 3.600 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c(F)ccc(O)c1F 794515444 KKXPIIAOIZLWIG-LLVKDONJSA-N 284.350 3.953 30 20 CHED COCCCON=C(C)c1ccc(Cl)c(Cl)c1 795042703 VKRFIUVDUDMQGQ-UHFFFAOYSA-N 276.163 3.771 30 20 CHED c1ccc2nc(NN=C3CCC34CCOCC4)ccc2c1 799865812 YCVNWXPUGGUZCP-UHFFFAOYSA-N 281.359 3.593 30 20 CHED C#C[C@@H](CC)/N=C/c1cc(Cl)cc(Cl)c1O 792570979 VPBCYDJQNJDBGI-XVBMGZJVSA-N 256.132 3.530 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1ccc3c(c1)CCCC3)C2=O 792905282 KUWUQYPMUGWNMP-WJDWOHSUSA-N 292.382 3.511 30 20 CHED C=CCCC(=O)O[C@H](C)c1ccc(C(F)(F)F)cn1 798671510 SECZHFLNHLKISM-SECBINFHSA-N 273.254 3.671 30 20 CHED Cc1cc(Nc2ncc(C#N)cc2F)ccc1OC(C)C 1306973048 ZQYNDCSQQYXKQN-UHFFFAOYSA-N 285.322 3.932 30 20 CHED C#CCN(CC1CC1)C(=O)CCc1ccc(C(C)C)cc1 1319460170 ZMBSWGNWJCWGCZ-UHFFFAOYSA-N 283.415 3.614 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN(C[C@H](C#N)CCC#N)C2 1318756702 HVAYUQOXMHRHTI-HNNXBMFYSA-N 295.430 3.786 30 20 CHED N#Cc1ccc(-c2nnc([C@H]3CCCCS3)o2)cc1 1327277815 LFTGKBXRZCYEJB-GFCCVEGCSA-N 271.345 3.566 30 20 CHED CC[C@H](C)[C@@H](C)c1nnc(-c2cccc(C#N)c2)o1 1325810583 OQYPKNYJRHQECQ-WDEREUQCSA-N 255.321 3.758 30 20 CHED C=CCC1(CNC(=O)C2(C(C)(F)F)CC2)CCCC1 1329326594 VYKGJLNXVQXKIC-UHFFFAOYSA-N 271.351 3.675 30 20 CHED C[C@@H](NN=Cc1nc(-c2ccccc2)c[nH]1)c1ccccc1 1322666535 TZDYITCJVJAOTK-CQSZACIVSA-N 290.370 3.761 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](CC)c1ccc(F)cc1)C(C)(C)C 1325293809 MBMKICXYJGDVPL-LSDHHAIUSA-N 290.382 3.624 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)c1ccc(F)cc1F 1329605795 KPIMCJMWVKUCIR-LLVKDONJSA-N 281.346 3.929 30 20 CHED Cc1cc(CN[C@@H](C)C2CCCCC2)ccc1C#N 1620979477 YCWIZMIXGGUDIK-AWEZNQCLSA-N 256.393 3.925 30 20 CHED N#Cc1ccc(CN2CCC(Nc3ccccc3)CC2)s1 1327573907 GDCNVIBPJWWPCA-UHFFFAOYSA-N 297.427 3.696 30 20 CHED C[C@H](Nc1cccc(CC#N)n1)[C@@H](C)c1ccccc1 1320655997 NVVBXUOAMLYPCY-KGLIPLIRSA-N 265.360 3.752 30 20 CHED CC(C)c1ccc(C2(C(=O)NCC(C)(C)C#N)CCC2)cc1 1325151920 YYIBZYCOEOJNLW-UHFFFAOYSA-N 298.430 3.898 30 20 CHED Cc1ccc(C[C@H](C)C(=O)[C@H](C#N)c2cccc(F)n2)cc1 1263379560 PWFDAJLFIHBYTI-DZGCQCFKSA-N 296.345 3.584 30 20 CHED CC(C)(C#N)CNCc1cccc(Cl)c1Cl 164695264 PJDXFKGGSQJBFE-UHFFFAOYSA-N 257.164 3.633 30 20 CHED CSc1cc(C)c(C(=O)Nc2ccc(F)c(C#N)c2)o1 1264923772 REGVTYUWFVHEAD-UHFFFAOYSA-N 290.319 3.573 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc2ccc(C)cc2o1 1343643114 IGBSFELIJDNYIS-JSGCOSHPSA-N 259.349 3.593 30 20 CHED C=C(CC)C(=O)Nc1ccc(Br)cc1OCC 1346436549 PBPKMHDJLAPVCE-UHFFFAOYSA-N 298.180 3.753 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cccc3ccsc23)C1 1344028672 BINRWMHQGFAHRK-JQWIXIFHSA-N 271.341 3.750 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(F)cc1F 1347510163 FRBUABTZOSWCDQ-LBPRGKRZSA-N 265.303 3.536 30 20 CHED CCC[C@H]1CCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 1353847318 CNXDWQNTJHVCRI-PBHICJAKSA-N 284.403 3.528 30 20 CHED C=Cc1ccc(C(=O)Nc2ccc(C#N)cc2C(C)=O)cc1 1436274403 BNIPGOQCIALRTL-UHFFFAOYSA-N 290.322 3.656 30 20 CHED Cc1sccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1354918460 JIBUVZZIFJVTJU-JTQLQIEISA-N 271.341 3.846 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 1358011590 TYMHKOSQHPQPJW-GOEBONIOSA-N 257.377 3.747 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@H](C)c1ccccc1F 1435772216 KMVPBIZMCIQFEN-LLVKDONJSA-N 299.301 3.624 30 20 CHED CCC1CCC(CNC(=O)c2cc(C#N)ccc2F)CC1 1526328305 NWOVHBWHNAHIAX-UHFFFAOYSA-N 288.366 3.644 30 20 CHED CC1(C)CC(CNC(=O)c2cc(C#N)ccn2)CC(C)(C)C1 1538545586 UQPCRAQGPWHZIE-UHFFFAOYSA-N 299.418 3.536 30 20 CHED CSc1cccc(NC(=O)Nc2cccc(C#N)n2)c1C 1466940847 DSJSBJNNIGWDOW-UHFFFAOYSA-N 298.371 3.628 30 20 CHED N#Cc1cc(=Nc2ccc3nc(C4CC4)sc3c2)cc[nH]1 1650687987 MVUYPCVRLXXLNA-UHFFFAOYSA-N 292.367 3.606 30 20 CHED N#Cc1c(Cl)nsc1NC[C@H]1CCC[C@H]1C1CC1 1655567665 XLCVSDMWFOEOMD-ZJUUUORDSA-N 281.812 3.906 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1c1cc(C)c(C#N)cn1 1651699021 MVRBLPLPXZKFPH-WFASDCNBSA-N 257.381 3.667 30 20 CHED Cc1cc(CNCc2cccc3[nH]ccc23)ccc1C#N 1656838544 YIHAGUGGRDIRMN-UHFFFAOYSA-N 275.355 3.638 30 20 CHED N#Cc1cccc(OCc2nsc3ccccc23)c1 1651727355 LMTIMTHCYJYFKK-UHFFFAOYSA-N 266.325 3.747 30 20 CHED C[C@H](CC=NNc1cc(Cl)ccc1Cl)C(=O)O 1592470252 GGQYHIXMSBIPNM-SSDOTTSWSA-N 275.135 3.502 30 20 CHED C[C@H]1CC(NC(=O)Nc2cc(C#N)ccc2F)C[C@H](C)C1 1662505121 OOTSHLNEHDEFER-GHMZBOCLSA-N 289.354 3.644 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)o2)cc1F 1777433815 RHOJDXMPFXVUJL-WAYWQWQTSA-N 288.274 3.630 30 20 CHED O=C(O)c1ccc(NN=C2C[C@@H]3CCCC[C@@H]3C2)cc1 1776013671 KHACFKRPNWVXFD-BETUJISGSA-N 272.348 3.753 30 20 CHED CCC(=NOC[C@H](C)CC)c1ccc(C(=O)O)cc1 1776077908 LCFYSGQSPNDXQF-LLVKDONJSA-N 263.337 3.562 30 20 CHED C=C(Cl)Cn1c(CC(C)C)nnc1N1CCC[C@H]1CC 1690346199 NDOPSQLJSIPSKO-CYBMUJFWSA-N 296.846 3.608 30 20 CHED O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccccc1F 18063184 QRRVZUFMEQMECG-ZHACJKMWSA-N 292.313 3.908 30 20 CHED COc1ccc(C(=O)/C=C\c2cccs2)cc1F 206164845 RGVHFHNDJFTSIH-WAYWQWQTSA-N 262.305 3.792 30 20 CHED CCC(=O)c1ccc(OCc2ccc(F)c(C#N)c2)cc1 158043018 LYCDFEAEKGQYRF-UHFFFAOYSA-N 283.302 3.869 30 20 CHED CC(C)(C)[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(F)cc1 158418127 DBJQMZDZKYNMFZ-HNNXBMFYSA-N 299.349 3.543 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H]2CC[C@@H](C)C2)s1 160480079 NIPAIPYSGADTSW-GHMZBOCLSA-N 276.405 3.947 30 20 CHED C=CCCCCCN(C)C(=O)NCCc1cccs1 153374065 JUVJVQULTUWLCH-UHFFFAOYSA-N 280.437 3.678 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)c(Cl)c1)C1CCC1 157516324 HAGTUXCPZZPIEH-UHFFFAOYSA-N 276.767 3.615 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccccc2F)cc1 153928715 OATNIYBSDZBODS-AWEZNQCLSA-N 283.346 3.689 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)Cc1ccc2ccccc2c1 154232388 WVAVTHZXNZEOSD-MRXNPFEDSA-N 281.355 3.864 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C(C)(C)C)nn1C 156807065 VTCJIOBYUOGPGU-UHFFFAOYSA-N 291.439 3.536 30 20 CHED C=CCN(CCOc1ccc(Cl)cc1)C(C)C 917068806 CMCQOLMBPIMJNG-UHFFFAOYSA-N 253.773 3.615 30 20 CHED COc1cc(CN[C@@H]2CCC[C@@H](C)CC2)ccc1C#N 234943123 JVHRMWJBORZPIS-CZUORRHYSA-N 272.392 3.625 30 20 CHED N#Cc1ccc(N2C[C@H]3CCC[C@@H]3C2)cc1C(F)(F)F 148317856 YWZFAONBRVYNPQ-VXGBXAGGSA-N 280.293 3.813 30 20 CHED N#Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1Cl 37393168 JAAZVXUOJRUISO-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCc2cccc(C#N)c2)o1 37748570 NVUXSFKBAFYIMN-BLLLJJGKSA-N 266.344 3.564 30 20 CHED CN(C(=O)c1cccc(F)c1Cl)c1ccc(C#N)cc1 165231848 IUCOFCFNPLRMQH-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(O)c(Cl)c1 182645796 ABLZGDHNUZIPSZ-SNVBAGLBSA-N 267.756 3.520 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1ccc(C#N)c(F)c1 404132190 UVKQWLJPXLRYGF-BFQNTYOBSA-N 260.356 3.612 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H]1CC1(Cl)Cl 309486540 GPZSOCJFPOVUPB-MRVPVSSYSA-N 275.566 3.817 30 20 CHED COC1(CNc2ccc(CC#N)cc2)CCCCC1 319130979 HBVPABBSBTVZGW-UHFFFAOYSA-N 258.365 3.514 30 20 CHED CCN(Cc1ccc(Br)cc1C#N)C1CCC1 347054534 MSFRYIXAFQEWEO-UHFFFAOYSA-N 293.208 3.695 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cnn(Cc2ccccc2)c1 467412522 IRTTYCQQELIKBS-YJBOKZPZSA-N 283.419 3.937 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccccc1F 695721569 SEBMKABRGHGMRJ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CC13CCCCC3)CCC2 386990346 FKNWIMSPLGNTOT-OAHLLOKOSA-N 267.376 3.577 30 20 CHED C=CC[C@H](CC)N[C@H](C)CCc1ccc2c(c1)OCO2 393794710 OIMFDMZKQPOQIT-HIFRSBDPSA-N 275.392 3.681 30 20 CHED C=CCC(F)(F)C(=O)N(Cc1ccccc1)C(C)C 814893189 HAELIZUGJFPGSF-UHFFFAOYSA-N 267.319 3.635 30 20 CHED CCO[C@@H]1CCCC[C@H]1NCCCCC(C)(C)C#N 452054108 PSPLAMQIBVCXIN-HUUCEWRRSA-N 266.429 3.644 30 20 CHED C=CCNc1nc(-c2ccc(NC(C)=O)cc2)c(C)s1 8225440 UZZAPZKCGUHZHH-UHFFFAOYSA-N 287.388 3.675 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(Cl)nc1 104542820 YYLDTNWZRJRWEM-UHFFFAOYSA-N 293.798 3.527 30 20 CHED CC#CCSc1nnc(CCC2CCCCC2)o1 172922500 PDMOSXJKSSFIDM-UHFFFAOYSA-N 264.394 3.698 30 20 CHED C[C@H]1CCCCN1CCCCNCC(C)(C)CCC#N 174272619 AOZFWHDLGWTIRM-INIZCTEOSA-N 279.472 3.561 30 20 CHED C[C@H]1C[C@H](C)CN(C(C)(C)CNCC(C)(C)CCC#N)C1 174299078 PAXKZTXTPYQJOI-HOTGVXAUSA-N 293.499 3.662 30 20 CHED CCC(CC)CN(CCC#N)C(=O)Cc1ccccc1F 104542972 KHPFJCUPKFHIIK-UHFFFAOYSA-N 290.382 3.547 30 20 CHED C#CCN(Cc1ccc(C#N)s1)[C@H]1CCc2ccccc21 179203698 BHMVKCQGAIHQGF-SFHVURJKSA-N 292.407 3.742 30 20 CHED C[C@H](C1CC1)N(C)Cc1ccc(Br)cc1C#N 310308363 SIDKGVRKQRZWDG-SNVBAGLBSA-N 293.208 3.551 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC(C)CC2)c1 67319578 UZSXJRRUGAOSRD-UHFFFAOYSA-N 288.391 3.905 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(-c2nnc(C)o2)c1 179782486 XYXCHHXXZWCULD-GFCCVEGCSA-N 299.374 3.520 30 20 CHED C[C@@]1(CO)CCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 301334131 CGCORQBJOPDRFL-KGLIPLIRSA-N 298.308 3.540 30 20 CHED CC[C@@H](C)N(C)Cc1ccc(OC)c(OCCCC#N)c1 179325008 OBMJJPIGHZLHPE-CQSZACIVSA-N 290.407 3.608 30 20 CHED Cc1cccc(-c2noc(C3(C#N)CCCCC3)n2)c1 408225615 ZVKQNJOZEJGWHL-UHFFFAOYSA-N 267.332 3.771 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 119952448 MQQAMASHQCZTJZ-GDBMZVCRSA-N 299.480 3.518 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1OC(F)(F)F 172100533 XENWIHKJGZKGDG-VIFPVBQESA-N 288.269 3.671 30 20 CHED CC(C)Oc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1 303082184 VWBPDASORHEHSN-RQZCQDPDSA-N 296.322 3.796 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccccc2)cc1[N+](=O)[O-] 20232223 CHHQEJQSRYJWBV-KTKRTIGZSA-N 267.284 3.799 30 20 CHED N#Cc1c(N2CCC[C@H]2c2ccsc2)nc2ccccn12 302118384 WZRCERGSADOESN-ZDUSSCGKSA-N 294.383 3.609 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@H](C#N)C1CCCCC1 176634658 XQVSJRASBZRNRG-XJKSGUPXSA-N 276.424 3.791 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 177070571 SMXDHEQCHTUSRF-INIZCTEOSA-N 286.400 3.582 30 20 CHED COCCOc1ccc(/C=C/C(=O)c2occc2C)cc1 119029572 KKMBZPJPNBXMSX-VMPITWQZSA-N 286.327 3.509 30 20 CHED COc1ccc(/C=C/C(=O)c2ccco2)c(Cl)c1OC 118977900 KWTGCWQZKWCKMO-FNORWQNLSA-N 292.718 3.846 30 20 CHED C=C(C)CCN(Cc1cccs1)C[C@@H]1CCCO1 351865526 UPEKELFSASMOIS-AWEZNQCLSA-N 265.422 3.695 30 20 CHED CCc1ccc(C/N=C(/N)Nc2cc(C)cc(C)c2)s1 303904970 VHEOTEYXJPUHPF-UHFFFAOYSA-N 287.432 3.854 30 20 CHED CC(C)(C)CCCC(=O)Nc1cc(C#N)ccc1F 1275425991 PQUAXHDJSJXMHX-UHFFFAOYSA-N 262.328 3.852 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1=CCCCC1 125493295 LDGKBPWZCGDCMO-UHFFFAOYSA-N 261.390 3.763 30 20 CHED CN(CCC#N)C(=O)Nc1cccc(CCC(F)(F)F)c1 127516483 OLJYYUXVRARQEP-UHFFFAOYSA-N 299.296 3.559 30 20 CHED CC(C)(C#N)CCC[S@](=O)c1ccc(F)c(Cl)c1 147452629 NCOKVICJDZSQLP-GOSISDBHSA-N 287.787 3.917 30 20 CHED C=CCC[C@@H](CC)NCc1nc2cc(C)ccc2n1C 187575733 RKGMZWQXPPLYHR-CQSZACIVSA-N 271.408 3.716 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(C)(c2ccccc2)CC1 185933351 RKGDEQSPYAKDTL-UHFFFAOYSA-N 283.415 3.616 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](c1ccccc1)[C@H](C)CC 180396233 XBWDQPXQXOLHCQ-GDBMZVCRSA-N 259.393 3.851 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)N(CCC)CCC 127418721 GGLDFCKMWLSCTB-UHFFFAOYSA-N 291.391 3.522 30 20 CHED Cc1ccc2nc(SCCCSCC#N)[nH]c2c1 75075418 WZPXIZIIKUMRBY-UHFFFAOYSA-N 277.418 3.610 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1 129338787 PPULPWMXERVNNX-ZDUSSCGKSA-N 291.354 3.861 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@@H]1C 184685722 CIJOGYPYRYNRKE-SMDDNHRTSA-N 256.349 3.632 30 20 CHED N#Cc1ccc(CNC2CC(c3cccc(F)c3)C2)cc1 37748406 JWOOGHQVFYJDBL-UHFFFAOYSA-N 280.346 3.733 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(C(C)C)no2)s1 70804144 SDIGTIVMDZFTJM-UHFFFAOYSA-N 289.360 3.546 30 20 CHED C=C[C@H](CC(=O)NCc1cccs1)c1ccccc1 122682926 DAFTUFVBVNLPLN-CYBMUJFWSA-N 271.385 3.724 30 20 CHED COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 315886124 OZGRYUQKVSNPAC-LLVKDONJSA-N 297.314 3.648 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(F)cc2C#N)C1 362389574 AMCRGYUTUCJFED-MRXNPFEDSA-N 260.356 3.709 30 20 CHED C=CC1CCN(C(=O)NCCc2cc3ccccc3o2)CC1 120816265 VRMPAIRTHGIIJR-UHFFFAOYSA-N 298.386 3.583 30 20 CHED COCC1(CNc2ccc(C(F)(F)F)cc2C#N)CCC1 313817115 AGBKNWBGCUAQDP-UHFFFAOYSA-N 298.308 3.806 30 20 CHED CC[C@@H](CC#N)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 183789085 YJUJAFLKSYHUGX-DOMZBBRYSA-N 292.810 3.717 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)c1ccc(CC)cc1 410827605 LMQQJVNFPFNIAH-BBRMVZONSA-N 272.392 3.503 30 20 CHED C=C[C@H](CC(=O)N1CCCCCC1)c1ccccc1 121350585 STMYVFPIKIHTCD-OAHLLOKOSA-N 257.377 3.749 30 20 CHED CC[C@H](CSC)N(C)c1ccc(C#N)c(Cl)c1 124309363 HZQLGFZYWOETIR-LLVKDONJSA-N 268.813 3.789 30 20 CHED Cc1csc(CCCCN[C@H](C)c2cccc(C#N)c2)n1 181666075 QBXGQDKBGONOBG-CQSZACIVSA-N 299.443 3.997 30 20 CHED C=C(C)[C@@H](NC(=O)CC(C)C)c1ccc(F)c(F)c1 186028722 GCDDQVZLFKHBBY-OAHLLOKOSA-N 267.319 3.744 30 20 CHED C=CCC[C@@H](C(=O)NC[C@H](C)CCOC)c1ccccc1 412488614 RPBJNIJTPOBKBY-NVXWUHKLSA-N 289.419 3.525 30 20 CHED CC(C)Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 122268907 XNTPQPKDRORCCJ-KRWDZBQOSA-N 272.392 3.553 30 20 CHED N#Cc1cccc(OCCSc2ccccc2)c1 37139240 SWXWGBRQZHTMIW-UHFFFAOYSA-N 255.342 3.729 30 20 CHED C=C[C@@H]1CCCCN1CCOc1ccccc1OCC 489427826 NVQKIWPZWUCKBG-OAHLLOKOSA-N 275.392 3.505 30 20 CHED C=C(C)CCc1noc([C@H](C)OCCC(C)C)n1 508622485 XXCZGIQYRNFIRO-LBPRGKRZSA-N 252.358 3.702 30 20 CHED Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OCC2CC2)c1 185863309 HIGYDGDLZDZJDQ-WMZOPIPTSA-N 298.430 3.956 30 20 CHED N#C[C@H](Nc1ccccc1OCCF)C1CCCCC1 414156009 OSKOPJJLYHIRBE-HNNXBMFYSA-N 276.355 3.919 30 20 CHED CCOc1cc(/C=C/C(=O)c2cncc(C)c2)ccc1OC 184779816 XZTHSFVEPPETAI-FNORWQNLSA-N 297.354 3.693 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1cn(C)c2ccccc12 410125928 SBKQWAGGBMMMAJ-OAHLLOKOSA-N 284.403 3.582 30 20 CHED C[C@H]1CCCCN(c2cc(C(F)(F)F)cnc2C#N)C1 413224344 FMAWPXHTVYEJFN-JTQLQIEISA-N 283.297 3.598 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(OCC3CC3)cc2)C1 185729272 UXRWFPXOLPLAKS-ZBFHGGJFSA-N 270.376 3.970 30 20 CHED COc1ccc2nc(C)cc(OCCC(C)(C)C#N)c2c1 410318201 HELCOQGBXBAORG-UHFFFAOYSA-N 284.359 3.871 30 20 CHED CC(C)(CCCc1ccccc1)CNc1nccnc1C#N 505771992 GNEIICFBDGCOBJ-UHFFFAOYSA-N 294.402 3.809 30 20 CHED CCC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 411828969 RUHLEIHJKHHICA-DLBZAZTESA-N 296.414 3.700 30 20 CHED C=CCCC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 78481087 DOJMAGWHSRETQS-IAGOWNOFSA-N 271.404 3.870 30 20 CHED N#Cc1ccc(CNC[C@@H]2C[C@H]2c2ccccc2)cc1F 418110126 DNUMAWXBLCLRDC-IRXDYDNUSA-N 280.346 3.591 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1ccc(SCC)cc1 410134814 KLMAPBQFWZFEPP-AWEZNQCLSA-N 277.433 3.812 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N[C@@H](C#N)C(C)C 413414471 ZFCYFHBQGDMHKU-GJZGRUSLSA-N 264.413 3.647 30 20 CHED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccncc1 181806446 ZUWRDMRULVVRTD-DYVFJYSZSA-N 265.360 3.755 30 20 CHED Cc1ccc(C#N)c(NCc2ccc(Cl)cc2)n1 44419324 UOXXAAGLMMBKNU-UHFFFAOYSA-N 257.724 3.527 30 20 CHED COc1ccccc1[C@H](CC(C)C)NCCCC#N 181716407 ILLMUJYBASQSAF-HNNXBMFYSA-N 260.381 3.676 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(F)cc1OCC1CC1 181744769 ZZUOWKPGXVZYSG-UHFFFAOYSA-N 292.354 3.654 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(C#N)cc1 505363563 DDIHWONQGWIHEJ-AYMQEEERSA-N 299.418 3.743 30 20 CHED C=CCOc1ccc(-c2nc3ccccc3n2C)cc1OC 48878362 XAXXUCOXKBOCIM-UHFFFAOYSA-N 294.354 3.814 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)c(F)c1 503571627 ARMYELRVZBGDRV-GFCCVEGCSA-N 286.325 3.730 30 20 CHED OC1=NCC[C@@H](/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)C1 329335721 LISYUMAKDLXPPR-RDBSUJKOSA-N 278.396 3.526 30 20 CHED CCC(C)(C)CNC(=O)N[C@H](CCC#N)c1ccccc1 190604264 QRYHIEGRXZYASX-OAHLLOKOSA-N 287.407 3.767 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)ccc1-n1cccn1 131542191 TVDQQSHUJXQDSH-UHFFFAOYSA-N 299.349 3.718 30 20 CHED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 46439646 VBFUIOQBLCPBSH-HNNXBMFYSA-N 278.355 3.869 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc(OCC#N)cc1 131115695 UHWQDECCIYIVAF-WEVVVXLNSA-N 295.313 3.933 30 20 CHED C=C(C)CCSc1n[nH]c(/C=C/c2ccc(C)o2)n1 505655288 CJYLVHBFSRELID-VOTSOKGWSA-N 275.377 3.935 30 20 CHED CC1(NC(O)=Nc2scnc2C2CC2)CCCCC1 329188076 QYIVJNUDOOFXOX-UHFFFAOYSA-N 279.409 3.878 30 20 CHED N#Cc1csc(CNCCc2ccccc2Cl)c1 177692626 WEOOFHJDGCQYLC-UHFFFAOYSA-N 276.792 3.605 30 20 CHED C=CCCCCN[C@H](C)CCc1ccc(OC)c(O)c1 426363331 AAPWNXMQXMIZPR-CQSZACIVSA-N 277.408 3.668 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C 46896119 PAAYIESXHOOSFI-DZGCQCFKSA-N 287.407 3.575 30 20 CHED C[C@H](CC(=O)N(CCC#N)CC(F)(F)F)CC(C)(C)C 610503903 YTFGEGWSJRFTOS-LLVKDONJSA-N 292.345 3.753 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2CCC[C@@H](C)CC2)C1 329013271 PGCWSYLSVZSJEQ-VOAKCMCISA-N 266.385 3.667 30 20 CHED Cc1nc2ccc(N=C(O)CC3(C)CCCCC3)cn2n1 328990709 IGDSCSLCYCDIGF-UHFFFAOYSA-N 286.379 3.986 30 20 CHED CC(C)c1ccc([C@@H](N)CNC2CCC(C)(C#N)CC2)cc1 423245612 OYDKAJXGRYHJMT-XBMUEBEBSA-N 299.462 3.872 30 20 CHED N#CC1(F)CCN(C/C=C\c2ccc(Cl)cc2)CC1 510945291 INICJRRURUMNRZ-UPHRSURJSA-N 278.758 3.681 30 20 CHED Cn1ccc2ccc(NC(=O)Nc3ccc(C#N)cc3)cc21 191036113 PAGDYHUGALLZAG-UHFFFAOYSA-N 290.326 3.694 30 20 CHED COC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 194255036 MPYOABQGSQPGLO-VBNZEHGJSA-N 292.810 3.699 30 20 CHED C=CCCC(=O)Nc1nnc(-c2cc3ccccc3o2)s1 191845582 UUSCWOKBWAIMGV-UHFFFAOYSA-N 299.355 3.856 30 20 CHED C=CCC(C)(C)c1nc([C@@H](OC)c2ccc(F)cc2)no1 426418286 WNJZONFOXBNRQC-ZDUSSCGKSA-N 290.338 3.798 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1c(C)noc1C 195397302 UONNFAHRCJCNQW-VOTSOKGWSA-N 271.316 3.505 30 20 CHED C=CCN(C)C(=O)c1cnn(-c2ccccc2C)c1C(C)C 190509651 FWKCCBQSMJIBGK-UHFFFAOYSA-N 297.402 3.562 30 20 CHED CC(C)(C)CCCCNC(=O)NCc1ccc(C#N)cc1 511233098 JFZAJZSQMGRCOB-UHFFFAOYSA-N 287.407 3.574 30 20 CHED COc1cc(CSCCCC#N)ccc1SC 190944129 YXNMOTIWRWIDLD-UHFFFAOYSA-N 267.419 3.954 30 20 CHED C=C(CNC(=O)N1CCC[C@@H](CC)C1)c1ccccc1 512662424 XCNHBKCHKBMDDA-OAHLLOKOSA-N 272.392 3.531 30 20 CHED Cc1c(NC(=O)[C@@H]2CC3CCC2CC3)ccc(C#N)c1C#N 421553627 DUGKDJJXPNSALX-SSDMNJCBSA-N 293.370 3.503 30 20 CHED C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccncc1F 337805347 KFURRYUBCSVYMG-SECBINFHSA-N 275.714 3.919 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cn(C)nc2C)c(C)c1 193584999 GWMQXFJAUSFSLS-VOTSOKGWSA-N 268.360 3.550 30 20 CHED Cc1cc(F)ccc1OCc1cccc(F)c1C#N 427540111 AQKDFXAIPVIGLY-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 193045447 AOZQGMVQOWZEEI-UHFFFAOYSA-N 271.364 3.504 30 20 CHED C=C(C)CCN[C@@H](Cc1ccncc1)c1cccs1 424354212 SFIKUJFWYVBMCJ-HNNXBMFYSA-N 272.417 3.983 30 20 CHED Cc1cc(NC(=O)Nc2cc(C#N)ccc2C)c(C)cc1O 336182640 JSQCWZMKMQVIDX-UHFFFAOYSA-N 295.342 3.833 30 20 CHED Cc1ccc(CC(=O)N(CCC#N)CCC(C)C)cc1C 517769974 ZVPXIKKGMQEJEA-UHFFFAOYSA-N 286.419 3.634 30 20 CHED CCn1c(-c2cc(C#N)n(C)c2)nc2cc(Cl)ccc21 190325809 LXTYFILSGKUCPY-UHFFFAOYSA-N 284.750 3.587 30 20 CHED C=CCC1(c2nc(-c3ccc(F)c(OC)c3)no2)CCC1 517260719 GAQHICNUSUTHOO-UHFFFAOYSA-N 288.322 3.882 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(OC)c(C)c2)cc1 147781400 GWSLMHJVZJLKLC-WMZJFQQLSA-N 282.339 3.908 30 20 CHED CC[C@H](C#N)NC(=O)c1sc2ccc(C)cc2c1C 335307575 NPODXRKBNYBQCT-LLVKDONJSA-N 272.373 3.550 30 20 CHED CC(C)(CCC#N)CN1CC[C@H](Nc2ccccc2)C1 92758486 GXNORUZZQQHTIA-INIZCTEOSA-N 271.408 3.503 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(Cl)c2F)s1 336478093 GYEGCRZASMZUKV-UHFFFAOYSA-N 280.711 3.665 30 20 CHED N#CC1(/C(O)=N/C[C@@H]2CCC3(CCCCC3)O2)CCCC1 330089176 VNGQWOPBXQNPCQ-AWEZNQCLSA-N 290.407 3.909 30 20 CHED C[C@@H]1N([C@H](C)c2ccc(C#N)cc2)CCC12CCOCC2 334581999 LTOUGGFBXIUWJM-CABCVRRESA-N 284.403 3.510 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 424696791 NVHPUNWOJYOLQT-AWEZNQCLSA-N 297.402 3.652 30 20 CHED C[C@@H](C#N)Sc1nc(-c2ccccc2)ccc1C#N 335976874 RUOYIABRNNULLW-NSHDSACASA-N 265.341 3.624 30 20 CHED Cc1cc(C)cc(C2=CCN(C[C@H](C#N)CCC#N)CC2)c1 92427248 SRLFKYZKVOIFLA-KRWDZBQOSA-N 293.414 3.836 30 20 CHED C[C@H](CC#N)N(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94543969 INSIMCCDBUYRGG-PNJGHZNZSA-N 288.435 3.744 30 20 CHED CCCc1noc(CSCCCCC(C)(C)C#N)n1 435883212 JGQUXGKGIFPCDR-UHFFFAOYSA-N 281.425 3.975 30 20 CHED C=C(C)COCCN[C@H]1CCSc2ccc(F)cc21 90451397 PFGNAQFXTDAISN-AWEZNQCLSA-N 281.396 3.545 30 20 CHED N#CCCC1CCN(C(=O)Nc2cccc(F)c2F)CC1 335368815 OZOFRFXORFOOSD-UHFFFAOYSA-N 293.317 3.512 30 20 CHED C=CCN(CCC)[C@@H]1C[C@H](OCC)C12CCCC2 524893365 PDJFYKLEXVNYNZ-CABCVRRESA-N 251.414 3.622 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2cnccc2C#N)C1 94163104 HOJSPBLPCFAKEA-GOEBONIOSA-N 277.371 3.644 30 20 CHED N#Cc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1 91682309 MNLRAANHQKXJPQ-UHFFFAOYSA-N 273.295 3.808 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(C(=O)CC)c1 439469010 NAKPJQXKDUCMTP-CYBMUJFWSA-N 274.364 3.756 30 20 CHED N#Cc1cccc(Sc2ncc(C#N)cc2Cl)c1 343913167 YTSYILVXKBFEOC-UHFFFAOYSA-N 271.732 3.630 30 20 CHED C=CCCC1(c2nc(CCC(F)(F)F)no2)CC1 345868885 AWYSSHZTNQSSPJ-UHFFFAOYSA-N 260.259 3.562 30 20 CHED CC(C)[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)CCO1 346136538 RELIWVQTJRIFKW-KURKYZTESA-N 286.419 3.825 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1occc1C 341086348 CJHZYZNPTKXVMH-UHFFFAOYSA-N 273.307 3.556 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 345431267 ISGBTNIKXFPVNM-GXSJLCMTSA-N 294.301 3.534 30 20 CHED CC(C)c1nc(CSCc2ccc(CC#N)cc2)no1 342556877 KYGDSTPIZGGKFN-UHFFFAOYSA-N 287.388 3.692 30 20 CHED C=C(C)COCCN[C@@H]1CC[C@H](Cc2ccccc2)C1 436286101 APHXIZDUXDDHOR-QZTJIDSGSA-N 273.420 3.580 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccccc1CC 431457616 AINCWTXSIUWPIU-UHFFFAOYSA-N 295.382 3.744 30 20 CHED CC(C)COc1ccccc1CN(CCC#N)CC1CC1 348570720 MKRZVHCZVMFMMA-UHFFFAOYSA-N 286.419 3.847 30 20 CHED C[C@@H](CCC#N)CNCCCc1ccc(Cl)cc1 602543084 HIHXWRPUPNKIFU-ZDUSSCGKSA-N 264.800 3.802 30 20 CHED C[C@H](CCC#N)CN[C@H](c1ccccc1)c1cccnc1 602533798 DKOSDQAADLKSBD-CRAIPNDOSA-N 279.387 3.700 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(C#N)c2)cccc1[N+](=O)[O-] 255846943 QOSOZZMIPUYQKG-HJWRWDBZSA-N 292.294 3.671 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1F)C1CCOCC1 600528745 IQZRIJVSZUUBSB-SNVBAGLBSA-N 265.353 3.605 30 20 CHED C=CCC(C)(C)c1noc(-c2coc(CCC)n2)n1 340796100 LYWYYLNNWFPXHR-UHFFFAOYSA-N 261.325 3.531 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 346486934 FGKLJTKMHCZRAZ-IRXDYDNUSA-N 299.414 3.769 30 20 CHED C=CCN(CCn1ccnc1C)Cc1ccc(Cl)s1 345546199 RLIAAWWWRXKSLO-UHFFFAOYSA-N 295.839 3.595 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1CCCCS1 341105131 WYWJDTLZNRBFDT-ZDUSSCGKSA-N 281.446 3.548 30 20 CHED Cc1occc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430595900 VSXPFTOWJVNGRW-LLVKDONJSA-N 288.372 3.832 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1ccccc1OC(F)F 255431114 SHDGYHBJDYKVPN-HJWRWDBZSA-N 290.265 3.890 30 20 CHED O=C(/C=C\c1cncs1)c1ccccc1OC(F)F 255777757 VOFCVWRMDMJTQO-WAYWQWQTSA-N 281.283 3.641 30 20 CHED C[C@H](CCC#N)Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1 340695876 NWWVHLMFVHNLSO-LLVKDONJSA-N 298.415 3.745 30 20 CHED CCOC(=O)c1sc(/C=C\c2ccccc2C#N)nc1C 255679507 KPRSLZQPTVGLSY-HJWRWDBZSA-N 298.367 3.670 30 20 CHED CC(C)N(C)CC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 609823504 LTRVLPVGVUTYDY-MRXNPFEDSA-N 299.462 3.671 30 20 CHED CC[C@H]1C[C@H](C)CN1c1ccc(C(F)(F)F)c(C#N)n1 443512339 VVLZXQMOSTYQCY-UWVGGRQHSA-N 283.297 3.597 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 343044998 JPSPGCIVRXGZMI-KGLIPLIRSA-N 269.735 3.575 30 20 CHED C=CCCCCCN(C)S(=O)(=O)c1ccc(F)c(C)c1 606910001 PAGFPNQJPAPVMC-UHFFFAOYSA-N 299.411 3.501 30 20 CHED Cc1cc(CNC[C@H](C)c2ccc(F)cc2)ccc1C#N 443971929 LCRLGDRKROITJS-AWEZNQCLSA-N 282.362 3.899 30 20 CHED CCCCC(CC)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254865213 ZYYAHBWEWWDHQZ-UHFFFAOYSA-N 294.311 3.871 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cnc(C2CCCC2)s1 449546809 DWXRRZFVYBGCSF-CABCVRRESA-N 292.448 3.624 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@H](c1ccccc1)C(C)C 609129486 AHXMYKHRYZSNKF-SJORKVTESA-N 286.419 3.871 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)CCC(C)(C)C)OCC 535211070 PLPLMYRXOQSTCQ-KGLIPLIRSA-N 269.429 3.689 30 20 CHED C=CCC1(NCc2cnn(CC(F)F)c2)CCCCC1 449570883 CSVVANANQCPWKQ-UHFFFAOYSA-N 283.366 3.517 30 20 CHED CC[C@@]1(C)CCCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 443507642 IJAHUIYLYSWFFE-AWEZNQCLSA-N 297.324 3.989 30 20 CHED CC[C@H](NC(C1CC1)C1CC1)c1ccc(C#N)cc1 447540134 IVIKNODEQURGGB-INIZCTEOSA-N 254.377 3.788 30 20 CHED N#Cc1ncccc1N[C@H]1CCSc2c(F)cccc21 357303883 QCMCAAVIDCDCTK-LBPRGKRZSA-N 285.347 3.741 30 20 CHED Fc1cc(Br)ccc1CON=C1CCC1 265379454 CDMOIHYEHPDBFW-UHFFFAOYSA-N 272.117 3.645 30 20 CHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1Cl 449349583 RLCHDQKKVQXWQL-FOGDFJRCSA-N 266.747 3.822 30 20 CHED N#Cc1cc(NC(=O)N[C@@H]2CC23CCCCC3)ccc1F 357075102 VCQKOBLNIKIGCF-CQSZACIVSA-N 287.338 3.542 30 20 CHED C=C(C)COc1cccc(NC(=O)Cc2ccc(C)o2)c1 532802169 WQQSSUWWDLJLTP-UHFFFAOYSA-N 285.343 3.724 30 20 CHED CC[C@@H]1CN(c2c(C#N)cnc3c(C)cccc23)CCS1 610283304 LAPSPZFVRBUJRD-CQSZACIVSA-N 297.427 3.747 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(C(C)(C)C2CCCCC2)no1 453164058 PVESBFORSZNNNI-ZBEGNZNMSA-N 273.380 3.729 30 20 CHED CC[C@@H](Cc1cccs1)NCc1cccc(C#N)c1 610798921 SZRNHCATCRQUCT-HNNXBMFYSA-N 270.401 3.731 30 20 CHED C=CCC1(NC(=O)Cc2ccc(Cl)cc2)CCCC1 619105750 ILMIQXRLWDITST-UHFFFAOYSA-N 277.795 3.888 30 20 CHED C=CCCc1noc([C@H]2SCCc3ccccc32)n1 453229258 GOOALXAFYTUZLT-AWEZNQCLSA-N 272.373 3.567 30 20 CHED N#C[C@@H]1N(C/C=C/c2ccccc2)CCC[C@@]12CCCCO2 369294285 QENPOEDRMNPJMG-KXQQJKGRSA-N 296.414 3.627 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc2cc(OC)ccc2[nH]1 613908839 KRHZWPNDECCZOU-MRXNPFEDSA-N 272.348 3.717 30 20 CHED N#Cc1ccc(CNC[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 619748713 RHVWQULEZAYZAA-WHOFXGATSA-N 274.795 3.737 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@H]1CCOC2(CCC2)C1 450714550 HIJIVJLBNUEFNU-LBPRGKRZSA-N 290.794 3.973 30 20 CHED N#C[C@@H]1CCC[C@H]1N[C@@H]1CCc2ccc(Cl)cc21 459476030 LAYLKGMGQAZPLJ-NILFDRSVSA-N 260.768 3.609 30 20 CHED C=CCCN(C)C(=O)C1=C(c2ccccc2)CCC1 451266849 ZZXIBSRNURUVEX-UHFFFAOYSA-N 255.361 3.659 30 20 CHED C[C@@]1(NCc2cccc(OCCCC#N)c2)CC=CCC1 459752566 LDBMPSVXDBALAX-GOSISDBHSA-N 284.403 3.958 30 20 CHED C[C@H](NC[C@@H]1CCCC1(F)F)c1ccc(C#N)c(F)c1 453312803 CELPERCKMNFQTH-GWCFXTLKSA-N 282.309 3.783 30 20 CHED N#C[C@H]1CC[C@H](Sc2nnc(-c3ccccc3)o2)C1 278686054 ZAQIPAAPQFQBLY-JQWIXIFHSA-N 271.345 3.521 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@]1(C)CC(C)C)OCC 452507903 HOQLCVIGAHTKGS-RDJZCZTQSA-N 281.440 3.785 30 20 CHED C=C[C@H](CC(=O)NCc1cnc(C2CC2)o1)c1ccccc1 456765222 RMDKZUMBHFNDNH-CYBMUJFWSA-N 296.370 3.528 30 20 CHED Cc1csc([C@@H](C)CNc2ccc(F)cc2C#N)n1 273305303 MHYHSGFNTMXDMK-VIFPVBQESA-N 275.352 3.678 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 548616277 VLUPYTXGNQDABN-ZDUSSCGKSA-N 290.794 3.720 30 20 CHED Cc1cc2c(cc1C)[C@H](NCCCC#N)CCS2 275350947 QPRJTSCBNUSRCZ-CQSZACIVSA-N 260.406 3.734 30 20 CHED C=CCCN(C)C(=O)Nc1cc(F)c(SC)c(F)c1 276064294 IZIHQLNYAHONGS-UHFFFAOYSA-N 286.347 3.727 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(Cc2ccsc2)C1 621497741 RSZBVILREPEPPW-ZDUSSCGKSA-N 292.448 3.677 30 20 CHED CC(C)C[C@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CCO1 272035265 SQIOIZDXESFABT-STQMWFEESA-N 293.798 3.612 30 20 CHED C=CCN(Cc1cc(C)c(Br)s1)C1CC1 543621546 SESFMXRJNHTDCK-UHFFFAOYSA-N 286.238 3.969 30 20 CHED C[C@@H](NCc1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 540706851 UJZABHDKRBWOMF-SNVBAGLBSA-N 290.288 3.826 30 20 CHED CC[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(C#N)cc1 278786027 QCVSKOIUCPPFKR-XDNAFOTISA-N 296.414 3.557 30 20 CHED C=CCCC(C)(C)NC(=O)c1ncccc1C(F)(F)F 622980911 PAPYLBFDPNJJES-UHFFFAOYSA-N 286.297 3.575 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@H]1NCCc1cccc(C#N)c1 467442137 KBKONONOIOPGEV-YJYMSZOUSA-N 294.373 3.763 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)C1 461925934 AMKURGXNYBRMAT-FMKPAKJESA-N 284.403 3.604 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc[nH]c1C(C)C 285756914 WWPGJQDXDCYOII-UHFFFAOYSA-N 275.396 3.540 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccccc1C(F)(F)F 468108568 FPELMVMTHMULDY-HNNXBMFYSA-N 299.336 3.966 30 20 CHED CCc1occc1C(=O)Nc1cc(C#N)ccc1NC1CC1 286027915 SCRLADDWWJKGLF-UHFFFAOYSA-N 295.342 3.540 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C#N)oc1C 280729633 VQKKTDUERQLBQB-ZDUSSCGKSA-N 296.370 3.901 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 465248634 AUUHUAPHSSKTNW-ZETCQYMHSA-N 289.162 3.698 30 20 CHED CCC[C@]1(C)CCCN(c2snc(C)c2C#N)C1 557630894 SGMMQNUEAPJLGA-CQSZACIVSA-N 263.410 3.730 30 20 CHED COc1ccc(CC[C@@H](C)NCC(C)(C)CCC#N)cc1 558245238 GTUZKQGOTIWUDQ-OAHLLOKOSA-N 288.435 3.936 30 20 CHED C[C@H](C(=O)N(C)C1CCCCCC1)c1cccc(C#N)c1 463242819 JLMWEUMABBCPSM-AWEZNQCLSA-N 284.403 3.843 30 20 CHED C=CC[C@H](CC)NC(=O)N1c2ccccc2C[C@H]1C 466377271 CUTNLVFRVXBQGJ-OCCSQVGLSA-N 258.365 3.502 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](CC)Oc1cccc(F)c1 467994151 KPVBLWAAWIXXDC-WMLDXEAASA-N 293.382 3.702 30 20 CHED C=CCC[C@H](NC[C@](C)(O)c1ccsc1)c1ccco1 285967142 GYGNDXBXSMGZBA-HOCLYGCPSA-N 291.416 3.846 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CC1CC(c2ccccc2)C1 281017780 PEJRAPHNDTZFQV-PVARCSIZSA-N 284.403 3.625 30 20 CHED CCOc1ccccc1[C@H](CC)N[C@H]1CC[C@H](C#N)C1 281997179 PZNQNWMZHFADHR-DZKIICNBSA-N 272.392 3.818 30 20 CHED CC[C@H](C)[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 286153274 PNXARJVDQWUGDY-GJZGRUSLSA-N 285.435 3.551 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F 556203353 KZNKNEKRGHBLPB-GXFFZTMASA-N 279.330 3.539 30 20 CHED C=CC[C@H](C)N[C@@H]1CCC[C@H](c2ncccc2C)C1 281156258 BDUDPPBKNOEIKF-HRCADAONSA-N 258.409 3.970 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1ccc(Cl)cc1)CC2 558504446 UCQMIMXQODMOSO-QGZVFWFLSA-N 282.774 3.989 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)CCc1ccc(OC)c(O)c1 467515499 ZWEJAQJDFFRKJA-DZGCQCFKSA-N 277.408 3.666 30 20 CHED C[C@@H](CCC1CC1)NCCSCc1ccccc1C#N 469772322 LDNHVYHSCILHCV-AWEZNQCLSA-N 288.460 3.960 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@H]1[C@H]1CCCO1 284732535 KKWABEDXYNPZDP-ZWKOTPCHSA-N 298.430 3.631 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 282352810 PKQMAUXZQOSQBI-COPLHBTASA-N 293.208 3.792 30 20 CHED C=CCC[C@H](NCc1ccn(C(C)C)n1)c1ccco1 557704334 LGOTYULISSCIQX-HNNXBMFYSA-N 273.380 3.854 30 20 CHED C[C@@]12CCN(Cc3ccccc3C#N)C[C@@H]1C2(Cl)Cl 284922133 VVSNMYNIFSYLPY-UONOGXRCSA-N 295.213 3.574 30 20 CHED C=CCOCCCN1CCSC[C@H]1c1ccc(C)cc1 470763261 CJXRDXKKJFQQSK-KRWDZBQOSA-N 291.460 3.678 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1C 471709123 LLGBXNOKDDHRSO-JKSUJKDBSA-N 257.377 3.571 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cscc1Br 285866096 HPYOXEXBEFGVLS-MRVPVSSYSA-N 288.210 3.595 30 20 CHED CC(C)(C)CCC(=O)N[C@](C)(C#N)C1CCCCC1 555903071 ZIINHUNVNXZJGF-MRXNPFEDSA-N 264.413 3.791 30 20 CHED CCC(CC)[C@H](NCCO[C@H](C)C#N)c1cccs1 801937107 DOSPRMNEEQGHQY-DOMZBBRYSA-N 280.437 3.744 30 20 CHED C=CCOCCCOc1cccc(C(F)(F)F)c1 475956923 YXMBWSBPQLHVMV-UHFFFAOYSA-N 260.255 3.677 30 20 CHED C#C[C@H](NCc1c(C)nn(CCCC)c1Cl)C(C)(C)C 809781006 DZPFESGVOJSCRG-AWEZNQCLSA-N 295.858 3.783 30 20 CHED C=CCC1(c2nc([C@@H](CCC)OC)no2)CCC1 296409223 KTMWWKFTVNGMPI-LLVKDONJSA-N 250.342 3.555 30 20 CHED CC(C)n1cc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)nn1 806573342 IHZGDYVAMIGQHJ-BRYYZUPOSA-N 293.370 3.559 30 20 CHED C=CCCCCCNC(=O)N(C)[C@@H]1CC[C@H](C)C1 568187939 SDRCXNOXSWXCSB-UONOGXRCSA-N 252.402 3.563 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(OC(C)C)c1 297068987 WTXKYOVQHGQCOE-QGZVFWFLSA-N 291.391 3.641 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](CC)SC)CCCC1(C)C 470270558 KWCVXYWHQJWMTE-OLZOCXBDSA-N 269.454 3.721 30 20 CHED C=C(C)CCNc1ccc(CCC(=O)OCC)cc1 569963060 JQSDCGRCPBFNCM-UHFFFAOYSA-N 261.365 3.560 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(F)cc1OC(C)C 806401049 PYNMVVCTPYBLJI-ZDUSSCGKSA-N 292.354 3.536 30 20 CHED C=CCC(C)(C)CN[C@H](C)[C@H](OC)c1ccccc1 563825601 CRRLLLGGFZGGNX-ZBFHGGJFSA-N 261.409 3.955 30 20 CHED CN(Cc1cccc(Cl)c1Cl)C(=O)CCCC#N 290899576 DWQNLMCUJSVRHM-UHFFFAOYSA-N 285.174 3.646 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(OCCC)cc1OC(C)C 477779492 OAKWOARMMUBUMV-CYBMUJFWSA-N 291.391 3.567 30 20 CHED C[C@H](C1CCCCC1)N(C)Cc1ccc(OCC#N)cc1 801600119 CCCIJIGZFPWMQB-OAHLLOKOSA-N 286.419 3.990 30 20 CHED C=C(C)CCOC(=O)c1c[nH]cc1-c1ccccc1OC 803332284 OGBYASWLMSDULS-UHFFFAOYSA-N 285.343 3.813 30 20 CHED CC[C@@H](CNc1cc(C#N)ccn1)Oc1ccccc1C 561234210 YBIYMZXEGRHOCP-HNNXBMFYSA-N 281.359 3.531 30 20 CHED C=C(C)Cn1c(Nc2ccccc2C)nnc1[C@@H]1CCCO1 295914458 HKMVELVPTARTMD-HNNXBMFYSA-N 298.390 3.758 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(C2CCC2)c1 293469055 WWHYEAGGYBHOLW-UHFFFAOYSA-N 256.349 3.832 30 20 CHED N#Cc1ccccc1/C=C1\Oc2cccc(Cl)c2C1=O 811697183 AMRIHYHTTRKEPR-ZSOIEALJSA-N 281.698 3.828 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(F)c(F)c(F)c1 488475449 HLHGGYNFWLJKMG-SNVBAGLBSA-N 284.281 3.676 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1nc2cccc(Cl)c2n1C 480672080 NZNRTKCAXFXPRJ-RYUDHWBXSA-N 291.826 3.917 30 20 CHED C#CCN(Cc1cscc1C(F)(F)F)CC1CC1 1327572918 AOWHGQAJYGFGJB-UHFFFAOYSA-N 273.323 3.612 30 20 CHED C#CCN(C)C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 812057392 UYDIGZBZZCMGCX-HNNXBMFYSA-N 292.810 3.702 30 20 CHED CCCC[C@@H](C)N(C)C(=O)c1ccc(C)c(C#N)c1 811959409 KBPWJYBVTHWUNK-CYBMUJFWSA-N 258.365 3.517 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1OC(C)(C)C 485489323 LGHNSWDUCMELKD-UHFFFAOYSA-N 274.364 3.742 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NOCC(C)C)C1 814883783 AFLRVKWADSRQEY-CYBMUJFWSA-N 269.385 3.549 30 20 CHED C[C@H](OC(=O)[C@@H]1CCCCCC(=O)C1)c1ccc(C#N)cc1 811386113 NHMAIZKGQCRZBV-XJKSGUPXSA-N 299.370 3.702 30 20 CHED N#Cc1cc(NC(=O)Cc2coc3ccccc23)ccc1F 574659160 WBWOLBDSQFTAMO-UHFFFAOYSA-N 294.285 3.625 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1c(F)cccc1F)C2 811695768 LUGJOBPPEOFPIL-XYOKQWHBSA-N 281.261 3.659 30 20 CHED Cc1nc(N(C)C[C@H](C)c2ccccc2)ccc1C#N 488065724 DZPAVAKHHOFLOB-ZDUSSCGKSA-N 265.360 3.502 30 20 CHED C(=NOC1CCC1)c1ccccc1N1CCCCC1 812237342 VOKCESYPFCVHDI-UHFFFAOYSA-N 258.365 3.580 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1cc(C)n(C)n1 812232779 MEAVHTRCAAUILF-UHFFFAOYSA-N 284.407 3.996 30 20 CHED C=CCC(F)(F)C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C 815914978 ZQCBZGPHCDCMGP-GHMZBOCLSA-N 297.320 3.871 30 20 CHED COc1cccc(-n2ccnc2SCC2(C#N)CCC2)c1 574999193 CFKAOHGBIHYCOS-UHFFFAOYSA-N 299.399 3.667 30 20 CHED CCCCCNC(=S)NN=C1CC(c2ccccc2)C1 814764113 RPLGIDBKGNXXLQ-UHFFFAOYSA-N 289.448 3.574 30 20 CHED CCCC(=NNc1cc([N+](=O)[O-])ccc1C)c1cccnc1 814823878 AKHGOQWVBMSWRI-UHFFFAOYSA-N 298.346 3.915 30 20 CHED CC(=NNc1cccc(F)c1F)c1cc(N)ccc1F 814859584 VALPBJSQZDFMMY-UHFFFAOYSA-N 279.265 3.522 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)c2ccc(C#N)s2)c(C)c1 487265184 AVGLRMRHHYJVDL-ZDUSSCGKSA-N 298.411 3.598 30 20 CHED C/C(=C/C(=O)N(C)CC(C)(C)C#N)c1cccc(Cl)c1 817623862 PXNQOYQOHCXMMX-WQLSENKSSA-N 290.794 3.751 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C)c(C)c1O 728155185 GSUDPOLRDXOIDH-UHFFFAOYSA-N 299.330 3.753 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc2cc[nH]c12 573273529 ZWVKNERHLPDVJQ-CYBMUJFWSA-N 269.348 3.740 30 20 CHED CCc1cccc(NC(=O)c2ccc(C#N)c(C)n2)c1CC 489539594 GGUHAFKUPPLFMO-UHFFFAOYSA-N 293.370 3.639 30 20 CHED CC(C)C#CC(=O)N(C)[C@H](C)c1ccccc1Cl 821092371 NCJOXWLOQRSYPH-GFCCVEGCSA-N 263.768 3.519 30 20 CHED COc1cccc2c1CCC[C@@H]2NCC(C)(C)CC#N 572128331 ORPMGWSBXWUNPU-HNNXBMFYSA-N 272.392 3.602 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CCCOC1 727707535 AIWLDQNKWRFTAY-HUUCEWRRSA-N 269.429 3.526 30 20 CHED CC#CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 570121575 KFWIDOZIUGANBV-QWHCGFSZSA-N 296.197 3.579 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C/C(Cl)=C\Cl 823617436 JEPQNMXTVIQKFS-JLATVTFTSA-N 269.175 3.870 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N(C)C[C@@H](C)C#N 499100505 PNHKQRWDTFKMQZ-HOCLYGCPSA-N 278.440 3.991 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1S[C@@H](C)CC#N 826946236 GTENSLBMYLBIKV-ZDUSSCGKSA-N 286.400 3.679 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CC[C@@H]1c1ccccc1 661124226 WXYPYUWEILGALW-BZUAXINKSA-N 272.392 3.587 30 20 CHED CCCC1(CNC2CCN(c3ccc(C#N)cc3)CC2)CC1 579863773 RCIYSBCCYQVRMU-UHFFFAOYSA-N 297.446 3.697 30 20 CHED CC(C)c1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 499521080 UVRUYKVWCPUUES-QGZVFWFLSA-N 272.392 3.868 30 20 CHED C=CCCC(=O)Nc1ccc(Cl)c2ncccc12 588021972 XZIYKMLEXNWHLE-UHFFFAOYSA-N 260.724 3.793 30 20 CHED CC[C@@H](NC(=O)CCCCCC#N)c1ccccc1 588154750 MDVSPVLUCZEEGM-OAHLLOKOSA-N 258.365 3.728 30 20 CHED O=[N+]([O-])c1cc(C=NNc2cccc3cnccc23)cs1 728431899 HIDCWOCVSWUADD-UHFFFAOYSA-N 298.327 3.651 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 581415068 XQYGGLOHEQETGU-UHOFOFEASA-N 297.402 3.798 30 20 CHED C=CCOCCSCc1nsc2ccccc12 902396389 KLQCMXQSZFFSGH-UHFFFAOYSA-N 265.403 3.732 30 20 CHED Cc1ccccc1C1(C(=O)N[C@@H](C#N)CC(C)C)CCCC1 589789399 VZZLTCZLKLGPPH-MRXNPFEDSA-N 298.430 3.861 30 20 CHED CCO[C@@H]1CC(=NN[C@H](C)c2ccccc2)C1(C)C 736430285 UZAYEYAWZXKAQT-IUODEOHRSA-N 260.381 3.528 30 20 CHED N#CC1(CCCCOC(=O)C2CC3(CC3)C2)CCC1 909443595 XNHGAXPQEQBUAC-UHFFFAOYSA-N 261.365 3.584 30 20 CHED C[C@@H]1CCCC[C@@H]1N1CCC(=NNC2CCCC2)CC1 733902042 ZCIPRBAKUQRNHJ-PBHICJAKSA-N 277.456 3.549 30 20 CHED C[C@H]1/C(=C\c2cccs2)C(=O)c2c(O)ccc(F)c21 730586307 DRERAFXZSPYLHA-VKHJRQFRSA-N 274.316 3.976 30 20 CHED CCn1ccnc1C(C)=NNc1c(C)cccc1Cl 835010699 IGQBDBMLZXZWQU-UHFFFAOYSA-N 276.771 3.701 30 20 CHED CC#CCN(C)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 583586447 UEJSGQUSNQURMZ-SNVBAGLBSA-N 284.186 3.579 30 20 CHED C=C(C)CCN[C@H](C)c1cc(Br)ncc1F 834881602 BKGYPDWQTPJHTQ-SECBINFHSA-N 287.176 3.600 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc(F)cc1OC(F)F 903030462 CBURZSQMFJVGPT-JTQLQIEISA-N 298.308 3.772 30 20 CHED CC(C)Cc1ncc(C(=O)O[C@H]2CCC[C@H](C#N)C2)s1 905936204 TYHUYVLOSDGOFY-RYUDHWBXSA-N 292.404 3.581 30 20 CHED CC(C)n1cc(/C=C2\Cc3c(Cl)cccc3C2=O)cn1 732714234 OMNJHMTWLHMWRU-WUXMJOGZSA-N 286.762 3.940 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCc1ccc(CC#N)cc1 835273006 DQUKQSNUYJFMEF-CYBMUJFWSA-N 299.292 3.774 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)/C=C/c2ccc3[nH]ccc3c2)C1 839055315 NFAHGBBYMOSRLR-WQELODFKSA-N 294.354 3.807 30 20 CHED C=CCCCOC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 735529382 XYPAFIULQNVWEP-LLVKDONJSA-N 295.360 3.585 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(Cl)cnn2C)c(C)c1 588534883 UAZHWTORLGXFOF-SREVYHEPSA-N 274.751 3.586 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1c1cc(C#N)cc(C)n1 588001988 UYEWGCHGHZDMSL-DOMZBBRYSA-N 257.381 3.667 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C2CCCCC2)C1 584703170 BELLOQRPOCSZKH-UHFFFAOYSA-N 297.402 3.911 30 20 CHED CCn1c(C)cc(C=NNc2cc(F)c(F)cc2F)c1C 734302941 WHSGPMRPOANZGP-UHFFFAOYSA-N 295.308 3.988 30 20 CHED C[C@@H](C=NNc1ccc(C(=O)O)c(F)c1)C(C)(C)C 835009394 RWENZRYQYSZYSA-VIFPVBQESA-N 266.316 3.604 30 20 CHED CN(CCc1ccccc1F)c1c(F)cc(C#N)cc1F 731664122 WJYAARXVPYSLTD-UHFFFAOYSA-N 290.288 3.654 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2c(C)cc(C)cc2C)cn1 733486044 JZKFZODKOMKUKZ-HNNXBMFYSA-N 293.366 3.906 30 20 CHED C[C@@H]1CN(CCOc2ccc(C#N)cc2)Cc2ccccc21 916151268 DICWBLOXKCWBTP-OAHLLOKOSA-N 292.382 3.556 30 20 CHED Cc1ccc(C)c(NC(=S)NN=Cc2ccc(C)o2)c1 915912159 LHYUPXIGLDRCPK-UHFFFAOYSA-N 287.388 3.525 30 20 CHED C=CC[C@@H](NC(=O)c1sccc1CC)c1ccncc1 734460011 MJUIKVXHIZHKRY-CQSZACIVSA-N 286.400 3.753 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@H](OC)[C@H](C)C1 836463326 WYYZFFIJEWGIGG-CVEARBPZSA-N 296.455 3.579 30 20 CHED Cc1cc(C)c(NN=C2C(=O)Nc3ccc(F)cc32)c(C)c1 916339170 GBJPERWKIGWMRF-UHFFFAOYSA-N 297.333 3.519 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1sc2cccc(F)c2c1C 594097448 KYZHXHVKCLVUFQ-SNVBAGLBSA-N 290.363 3.723 30 20 CHED CC1(C)CC=C(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)CC1 835034413 AMDARPZPXSLUFR-ZDUSSCGKSA-N 293.370 3.876 30 20 CHED CCSC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CC1 595098251 FQAOLYUKPBZPEO-MRXNPFEDSA-N 286.444 3.811 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)NCC(C)(C)CC#N 837887809 MODVVOLMSYNHFV-BENRWUELSA-N 290.794 3.799 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nc3ccc(F)cc3o2)C1 919853955 QRNFZQXCWNWXHV-WCBMZHEXSA-N 262.309 3.751 30 20 CHED C(=NNc1cnccn1)c1cc(-c2ccccc2)cs1 917546126 PBUYYECRHNUNQW-UHFFFAOYSA-N 280.356 3.651 30 20 CHED C=CCC[C@H](O)CN1CCc2ccccc2[C@H]1C(C)C 675643402 INVTUAOUYCUXQI-FUHWJXTLSA-N 273.420 3.569 30 20 CHED CC#CCOC(=O)c1ccccc1OCc1ccccc1C 744458602 IFFJLCFTTJGNFM-UHFFFAOYSA-N 294.350 3.754 30 20 CHED CCC1(CC)CCCN(C(=O)c2cccc(CC#N)c2)C1 598214669 CTQBZYRPSFDFCS-UHFFFAOYSA-N 284.403 3.795 30 20 CHED CC1(C)CC(C(=O)N2CCC[C@@H](CC#N)C2)CC(C)(C)C1 597900852 FIAZBZAKGXUERF-AWEZNQCLSA-N 290.451 3.991 30 20 CHED CC(=NNC(=S)Nc1ccccc1F)c1cccs1 915920338 FQCZZMDJLOXLPJ-UHFFFAOYSA-N 293.392 3.598 30 20 CHED C=C(C)CNC(=S)N(CC)[C@H](CC)c1ccccc1 745688496 OTRLMFMVZLYKLN-OAHLLOKOSA-N 276.449 3.910 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)N(CC)CC2 675153828 BKINBEPGTAQBGR-UHFFFAOYSA-N 284.403 3.776 30 20 CHED CC(C)c1ccc(CCN2CCC[C@H](CC#N)C2)cc1 597177508 NOEFCQOUDXVCOR-QGZVFWFLSA-N 270.420 3.978 30 20 CHED Cc1ccc2c(C(=O)N3CCC[C@H](CC#N)C3)csc2c1 597905030 WLLLWJXUUXACMD-CYBMUJFWSA-N 298.411 3.976 30 20 CHED N#C[C@H](C(=O)/C=C\C1CCCC1)c1nc(C2CC2)cs1 842941841 DFQLMKQJJIVXTF-DMTLFAOVSA-N 286.400 3.943 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 595460646 FMLHLAKIVHXBSZ-GOEBONIOSA-N 297.402 3.617 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N[C@@H](C#N)CC(C)C 591759407 MPCQXEJYYFUYJY-NVXWUHKLSA-N 286.419 3.618 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCCC1 918000386 RDCWDYGRHOCNIS-AWEZNQCLSA-N 254.418 3.788 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NCc2ccc(N(C)CCC#N)cc2)C1 740018492 UXURYSDADSJGIQ-VQFNDLOPSA-N 299.462 3.951 30 20 CHED Fc1ccccc1NC(=S)NN=C/C=C/c1ccccc1 915921499 YGDXUORXNNDLNR-ODGAGTQYSA-N 299.374 3.811 30 20 CHED CCCC[C@@](C)(F)C(=O)O[C@@H](C#N)C1CCCCC1 849846161 JERAFNIEHQZMFH-DZGCQCFKSA-N 269.360 3.920 30 20 CHED COc1cccc(SC)c1NC(=O)CCCCCC#N 591316292 IRCDHCOEVONAJY-UHFFFAOYSA-N 292.404 3.830 30 20 CHED COC[C@@H](C)Oc1ccc(CNc2ccc(C#N)cc2)cc1 596024665 QSSSPRCHOHDVEQ-CQSZACIVSA-N 296.370 3.584 30 20 CHED N#CC[C@H]1CCCN(C(=O)CC/C=C\c2ccccc2)C1 597908846 CNOTZRNLFKJRDW-INDRUJQFSA-N 282.387 3.632 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 594002456 VZASSGIOOFNKAH-CABCVRRESA-N 284.403 3.598 30 20 CHED CC1(C)CCC(C)(C)N(CCCC2(C#N)CCOCC2)C1 599538317 MNJVZMHIGTVXST-UHFFFAOYSA-N 292.467 3.988 30 20 CHED CC[C@H](C)Oc1cc(C=NNc2ccccn2)ccc1OC 749442911 AQUQARHDLNLGLX-ZDUSSCGKSA-N 299.374 3.714 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@H]1Cc2ccccc21 741890469 LERPLTXPZISKGT-KRWDZBQOSA-N 294.350 3.669 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NNc1ccccn1 743425993 DSNICVVHHQEKKG-UHFFFAOYSA-N 271.339 3.887 30 20 CHED C=C(C)CCOC(=O)c1cc(Br)ccc1OC 744303774 VQFZTGJROVKZTB-UHFFFAOYSA-N 299.164 3.581 30 20 CHED C=CCCCC(=O)N[C@@H](C)Cc1ccccc1Cl 748299274 QIYUQBIGYXBWDO-LBPRGKRZSA-N 265.784 3.744 30 20 CHED COc1cccc(/C=N\C[C@H](C)c2ccccc2)c1O 920943883 CIGUGPMEGSWEDY-CYUIRQCWSA-N 269.344 3.623 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1[C@@H](C)c1ccccc1 928384636 LLBKNOVYFQOBIV-WMZOPIPTSA-N 283.415 3.975 30 20 CHED COc1cccc(OC)c1C=NNc1cc(C)ccc1C 755566007 RBQKHYNOOUMDSR-UHFFFAOYSA-N 284.359 3.767 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CC[C@@H]2CCCC[C@@H]2C1 759205834 GGBINCKCKILVRV-NWDGAFQWSA-N 288.351 3.748 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 853783488 KZRHLPSKEDJLAL-AAEUAGOBSA-N 297.851 3.781 30 20 CHED CC(C)(C)c1nc(C=NNc2nc3ccccc3[nH]2)cs1 920361917 CLKKUZXJAUBMJV-UHFFFAOYSA-N 299.403 3.763 30 20 CHED c1ccc(CNN=C2CCC3(CCOCC3)CC2)cc1 751520273 HHMVTXMQCYJAHA-UHFFFAOYSA-N 272.392 3.503 30 20 CHED C#CC[C@H](NC(=O)N[C@@H](C)C[C@H](C)CC)c1ccccc1 757034876 LIRMPIULBJQIOQ-VYDXJSESSA-N 286.419 3.875 30 20 CHED CCc1c([C@@H](C)NCC2(C#N)CC2)oc2ccccc12 754658418 UTNWFJWUBFWUHK-GFCCVEGCSA-N 268.360 3.950 30 20 CHED C=C(C)COCCN[C@H](C)c1cc(-c2ccccc2)no1 925532667 UDZVZCFBBKISMG-CQSZACIVSA-N 286.375 3.585 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)COc1ccc(C)cc1 758463287 CZRUTPFEEXGRLY-OAHLLOKOSA-N 287.403 3.647 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1ccc(C#N)c(Cl)n1 752995991 NBBRPAHIUDAGEN-UHFFFAOYSA-N 293.798 3.551 30 20 CHED C#CC[C@H](NC(=O)N[C@@H]1CCC[C@H]1CC)c1ccccc1 757041941 KVTJPASWDCUMRZ-HYVNUMGLSA-N 284.403 3.629 30 20 CHED C=CCCC(C)(C)NC(=O)C(F)(F)c1ccccc1 856374229 SMTKGXKECGUNHM-UHFFFAOYSA-N 267.319 3.639 30 20 CHED Cc1ccc(-c2nnc([C@@H](C)ON=C3CCC3)o2)cc1C 758411935 CIGMUYDAOKZUQP-GFCCVEGCSA-N 285.347 3.971 30 20 CHED C#CC[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ccccc1 756776769 RFPMFFWXSHKKNO-CXAGYDPISA-N 283.346 3.947 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccn1 756377166 ZKBHAWUENBCMKY-ARFHVFGLSA-N 298.386 3.603 30 20 CHED O=C1/C(=C/c2ccc(O)c(F)c2)CSc2ccccc21 755577163 RXIADJCJEJOOJJ-YRNVUSSQSA-N 286.327 3.903 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCCC1)C1CCCCCC1 1515033589 UCMJYTVSZOFRHZ-CQSZACIVSA-N 276.424 3.936 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1cnc(COC)s1 851143902 OKBFOWUTQRAAML-VXGBXAGGSA-N 295.404 3.581 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCC[C@H]1c1nccn1CC 935782904 ARGPTMWNPOSGLU-CABCVRRESA-N 289.423 3.559 30 20 CHED CC[C@H](CC#N)OC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 850979130 IOBOXURGOPXQSX-OWCLPIDISA-N 271.360 3.642 30 20 CHED C#C[C@@H](CC)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 754378985 FIUOSVCQINIASQ-FZMZJTMJSA-N 297.320 3.727 30 20 CHED COc1cccc2c1CN(CCCCC1(C#N)CCC1)C2 931261622 DEJOJASLYKTJKF-UHFFFAOYSA-N 284.403 3.875 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2O)cc1 757467592 GUHLCTAJSMMJSF-FNORWQNLSA-N 283.714 3.813 30 20 CHED CC(C)O[C@H]1CC(=NNc2nc3ccccc3[nH]2)C1(C)C 764896775 PDRCRQZKOHZPFF-AWEZNQCLSA-N 286.379 3.554 30 20 CHED CCCCNN=Cc1ccc(Cl)c2cccnc12 760243861 QCBZHCLTRAKTIW-UHFFFAOYSA-N 261.756 3.612 30 20 CHED C=CCCN(C)C(=O)c1cc2c(N(C)C)cccc2s1 935573044 LCCYDPZEKHQSAH-UHFFFAOYSA-N 288.416 3.615 30 20 CHED Clc1ccccc1CNN=Cc1cnc(C2CC2)s1 761811839 JCGLXRYZWIZXFL-UHFFFAOYSA-N 291.807 3.798 30 20 CHED CCOc1cccc(/C=C\C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 860825826 QAPMDCILYPLDFA-WKPOEDDGSA-N 299.370 3.724 30 20 CHED COc1cc(F)ccc1NN=Cc1nccc2ccccc12 761885294 QMEJWEBWZYLILR-UHFFFAOYSA-N 295.317 3.829 30 20 CHED Fc1ccccc1CCNN=Cc1nccc2ccccc12 764721635 GGSVTFWOTFOAIY-UHFFFAOYSA-N 293.345 3.540 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H](C)C(C)(C)C)n1 761988762 BVYAEZVXXZSVLA-GFCCVEGCSA-N 284.359 3.898 30 20 CHED C=CCCC(C)(C)N[C@@H]1CCc2cccnc2CC1 865634318 BCIJZBLWRFHHBW-OAHLLOKOSA-N 258.409 3.663 30 20 CHED CCCCCCCNC(=O)Nc1c(C)noc1C1CC1 860929044 CNTDVQSDSQEVSV-UHFFFAOYSA-N 279.384 3.952 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCCC(C)C)c1 1116758684 ZBWMJJVXMJUYTE-OAHLLOKOSA-N 260.381 3.503 30 20 CHED Cc1ccc(C2CC(=NNCc3ccc(C#N)cc3)C2)cc1 769822334 YXNOKENQFQNWGY-UHFFFAOYSA-N 289.382 3.890 30 20 CHED C=CCCC(=O)COC(=O)/C=C/c1cc(C)c(C)cc1C 761381956 SSUVTGLBUQFCMN-CMDGGOBGSA-N 286.371 3.704 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](CC#N)C1 1118771702 NHCLRZIPMMVNDT-GDBMZVCRSA-N 276.424 3.745 30 20 CHED C#CCCCCC(=O)N(CCC)Cc1ccccc1F 773231139 JPMYVGFVRRFVGA-UHFFFAOYSA-N 275.367 3.758 30 20 CHED CC[C@@H]1CCCCC1=NNc1nc2ccccc2[nH]1 779758160 JNHZGAJVDAIBNP-LLVKDONJSA-N 256.353 3.931 30 20 CHED C#C[C@@H](C)NC(=O)C1(Sc2ccc(C)cc2)CCCC1 772976306 KZCOQKIAQTUYCH-CQSZACIVSA-N 287.428 3.538 30 20 CHED C[C@@H](NCc1cccc(C#N)c1F)c1ccc(N(C)C)cc1 775835631 HIGSWEHSHSWYMY-CYBMUJFWSA-N 297.377 3.614 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1ccc(C)cc1 779817907 HEFKVCOETMPURC-UHFFFAOYSA-N 264.332 3.707 30 20 CHED N#C[C@@H](OC(=O)CCSC(F)(F)F)C1CCCCC1 776375512 HXVOWZCKJJSGNA-SNVBAGLBSA-N 295.326 3.645 30 20 CHED CC(C)c1nccnc1NN=C[C@H]1C[C@H]1c1ccccc1 773078796 NPEYFRVRZWTSBQ-CABCVRRESA-N 280.375 3.801 30 20 CHED C=C[C@H](Cc1nnc(CC(C)C)o1)c1ccccc1 1117246204 DWRPLJVRLLMHQA-CYBMUJFWSA-N 256.349 3.780 30 20 CHED C#CCCCCCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 779902093 BHCYNOBKYYMDBD-MJGOQNOKSA-N 299.414 3.607 30 20 CHED Cn1c(C=NOC2CCCC2)nc2cc(Cl)ccc21 774606865 BUZQMIHCUOOHLF-UHFFFAOYSA-N 277.755 3.520 30 20 CHED N#C[C@H](OC(=O)c1cccc(Cl)c1O)C1CCCCC1 776398954 FUVPHCBHSFHRSJ-ZDUSSCGKSA-N 293.750 3.675 30 20 CHED CC(=NNc1nc2ccccc2cc1C)C1CCOCC1 776785595 JWEQXQJXFJLRBH-UHFFFAOYSA-N 283.375 3.758 30 20 CHED CC(C)(C)c1cnc(SCC2(C#N)CC2)s1 777932164 BRJCHMFBKVVEPL-UHFFFAOYSA-N 252.408 3.836 30 20 CHED CCOc1cccc(C(=O)OCc2ccc(CC#N)cc2)c1 776110276 NEPKPICSFFWUGH-UHFFFAOYSA-N 295.338 3.508 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1F 776727281 USTSGXKBHSEJAL-FPLPWBNLSA-N 296.257 3.502 30 20 CHED C#CCCCCCC(=O)Nc1ccc2nc(C)oc2c1 779788881 VFDHFKHWLBYIHU-UHFFFAOYSA-N 270.332 3.658 30 20 CHED C#CCCCOc1cccc(Oc2cccnc2)c1 778042411 UVPHJWOMAMNEMY-UHFFFAOYSA-N 253.301 3.666 30 20 CHED C#CCN(Cc1cccc(C)c1O)[C@@H]1CCc2ccccc21 775630085 JMVLJVXQVPRGFV-LJQANCHMSA-N 291.394 3.823 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(F)ccc1C)C2 777918968 ONWJPKBYBXVPFK-RIYZIHGNSA-N 282.314 3.965 30 20 CHED C=C(CC)COC(=O)c1cc2cccc(OC)c2o1 773483954 WTSIRAFMUKENHS-UHFFFAOYSA-N 260.289 3.564 30 20 CHED C#CCCCCC(=O)OCc1ncc(Cl)cc1Cl 777132591 SHCUDEJURLYPAQ-UHFFFAOYSA-N 286.158 3.625 30 20 CHED C#Cc1cccc(N(CC)C(=S)NC(C)(C)CC)c1 774175530 CKSATWVAGSDKAV-UHFFFAOYSA-N 274.433 3.557 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C#N)ccc1F 888373657 NTMXUMPJOGIRRM-UHFFFAOYSA-N 275.327 3.564 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2cnc[nH]2)cc1 780322791 WSODPZAQLNUNFT-UHFFFAOYSA-N 281.359 3.599 30 20 CHED C#CC[C@@H](NC(=O)N1CCCC[C@@H]1C=C)c1ccccc1 787296457 MPAMVRIHKXLPFS-DLBZAZTESA-N 282.387 3.501 30 20 CHED CC[C@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H]1C 1458327546 AXNDZBYOHMULLL-OLZOCXBDSA-N 271.408 3.876 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@@H]1CC1(F)F)c1cccs1 1123107781 UPBGBUFJFIOSQH-YWVKMMECSA-N 285.315 3.537 30 20 CHED C=CC(C)(C)CCOC(=O)c1nccc2occc12 1123094979 YXHYMKZEOIFBPR-UHFFFAOYSA-N 259.305 3.587 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H](C)C(=O)c1ccccc1 1120734340 XPNHHYQZGKRFBY-NVXWUHKLSA-N 299.414 3.853 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1ccc(C)cn1 788818822 YLMQHALGRNTYKZ-UHFFFAOYSA-N 291.439 3.892 30 20 CHED FC(F)(F)[C@H]1CCCC(=NO[C@@H]2CCCCO2)C1 783522332 QGEGNYPLIPVJHI-GXSJLCMTSA-N 265.275 3.638 30 20 CHED Cc1ccc(C(C)(C)C)c(OCCO[C@H](C)C#N)c1F 789607088 BBFMSUSKZCNYPH-GFCCVEGCSA-N 279.355 3.739 30 20 CHED Clc1ccc([C@@H]2CCCC2=NN[C@@H]2CCCOC2)cc1 780259588 AWKBFIDTIMFNBT-CABCVRRESA-N 292.810 3.732 30 20 CHED CCC(C[C@@H](C)CC)=NN[C@@H]1CCOC(C)(C)C1 780253375 SZHPPBXERVJVSG-GXTWGEPZSA-N 254.418 3.736 30 20 CHED Cn1c(C(=O)OCCCC(C)(C)C#N)cc2ccccc21 783098822 QKWGRAIBJUXMBP-UHFFFAOYSA-N 284.359 3.665 30 20 CHED C#CC[C@@H](NC(=O)N1C[C@@H](C)CC(C)(C)C1)c1ccccc1 784397617 OIWKNVDBRIZVRC-DOTOQJQBSA-N 298.430 3.829 30 20 CHED Cc1ccc2nc(/C=C3\Cc4c(F)cccc4C3=O)cn2c1 789126978 GQKONVPOVBFLGD-KPKJPENVSA-N 292.313 3.604 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(-c2cnco2)c1 898156806 XXRMHWZIZRNQPR-KRWDZBQOSA-N 284.359 3.560 30 20 CHED N#Cc1nc(N[C@@H](c2ccncc2)C2CC2)ccc1Cl 897423915 SOFPHJWHJNLEQZ-OAHLLOKOSA-N 284.750 3.565 30 20 CHED C=CCCC(=O)NCCc1ccc(Cl)c(Cl)c1 894474087 MOEMMCWBAWNWGV-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C#C[C@@H](CCC)NC(=O)Cc1coc2cc(C)c(C)cc12 791205286 SAVDWKPLPNYCRI-HNNXBMFYSA-N 283.371 3.510 30 20 CHED C=CC(C)(C)c1nc(-c2cc3c(nc2O)CCCCC3)no1 897296638 HINMVBCITOVYPJ-UHFFFAOYSA-N 299.374 3.570 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C)C(C)C 798556967 MLLDREWRBKDLCV-ZWKOTPCHSA-N 298.430 3.808 30 20 CHED COCC[C@@H]1CCCC1=NNc1cc([N+](=O)[O-])ccc1C 799877485 BZKHORFSBQBDNR-LBPRGKRZSA-N 291.351 3.508 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)CCc2ccc(O)cc21 899372869 YFJKWIAPJCFBTI-ZSOIEALJSA-N 294.354 3.526 30 20 CHED CC(C)(CCC#N)CNCc1cccc2ncccc12 720509394 RRHKHZPVIWJMCA-UHFFFAOYSA-N 267.376 3.654 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccccc2C#N)cc1F 799499720 NPJVUGNVLBMOAW-CLFYSBASSA-N 295.313 3.992 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 703692382 YZADVRYGDLYWNR-JTQLQIEISA-N 299.201 3.817 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798482052 GUJCREHQCZRKCZ-ZWNOBZJWSA-N 298.308 3.617 30 20 CHED COc1ccccc1CON=C1CCCNc2ccccc21 799118444 GSDBWKLYDGUOES-UHFFFAOYSA-N 296.370 3.822 30 20 CHED COc1ccccc1CON=Cc1cc(F)c(F)c(F)c1 799118559 LFQYNFIJFLMMSD-UHFFFAOYSA-N 295.260 3.663 30 20 CHED Oc1cccc(/C=N\[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1O 797784812 JOLFQQIQKAQAMZ-GTVOTKMRSA-N 287.746 3.726 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cc(C#N)cs2)c(O)c1 799895044 JMYBJEZUOCRUHM-ONEGZZNKSA-N 283.352 3.838 30 20 CHED C=CCCCCCCNCc1n[nH]c2ccccc12 694017209 YSVCLZOTZRVXOA-UHFFFAOYSA-N 257.381 3.789 30 20 CHED Cc1nsc(NCC2(OC(C)C)CCCCC2)c1C#N 1306996218 WNYMZSDHFWBZLZ-UHFFFAOYSA-N 293.436 3.863 30 20 CHED C=C(Cl)CNC(=O)NCc1ccc(Cl)c(Cl)c1 1231115803 GFYWKOGZGXATOF-UHFFFAOYSA-N 293.581 3.545 30 20 CHED Cc1nsc(N2CCC(C)(CC(C)C)CC2)c1C#N 1163431308 IVLDRQRVHIBYFA-UHFFFAOYSA-N 277.437 3.976 30 20 CHED CN(CCc1ccc(F)cc1F)Cc1cccc(C#N)c1 1319992265 QBYXISQORPWDMS-UHFFFAOYSA-N 286.325 3.511 30 20 CHED C#CCCCc1nnc(COc2ccc(C(C)(C)C)cc2)o1 1329284088 PLCARCAUDDEWBH-UHFFFAOYSA-N 298.386 3.902 30 20 CHED COc1cc(C)sc1-c1nnc(-c2cccc(C#N)c2)o1 1322585828 RKKZTDDZMXMZTI-UHFFFAOYSA-N 297.339 3.654 30 20 CHED CC(C)C[C@@H](C)OCCc1nnc(-c2cccc(C#N)c2)o1 1322997887 XZNOCFMNWZFVFA-CYBMUJFWSA-N 299.374 3.602 30 20 CHED N#Cc1csc(CN2CC[C@@H]3CCCC[C@@H]3C2)c1 1324712278 PWZHAYDDWKHCMA-UONOGXRCSA-N 260.406 3.632 30 20 CHED Cc1cccc(C2=CCN(c3cccc(CC#N)n3)CC2)c1 1325709976 KCUDULYMSRCIMS-UHFFFAOYSA-N 289.382 3.750 30 20 CHED CC(C)(C)c1nnc(C#Cc2ccc(C(F)(F)F)cc2)o1 1327852751 MWFHUEPOHWVLPC-UHFFFAOYSA-N 294.276 3.786 30 20 CHED C[C@H](N=c1cc[nH]cc1C(F)(F)F)c1ccc(C#N)cc1 1185046503 NTMLSZPNKISGHQ-JTQLQIEISA-N 291.276 3.567 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 1336388611 JWCUSNVYSFEEQL-SJORKVTESA-N 282.387 3.641 30 20 CHED C#C[C@H](CC)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1343352518 WXVLSYSNXLLGTI-SNVBAGLBSA-N 275.735 3.698 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc(-c2ccccc2)s1 1342557983 LRLUCFUPQDSJJM-NSHDSACASA-N 271.341 3.732 30 20 CHED C[C@H](COc1ccccc1F)NC1CCC(C)(C#N)CC1 1347781592 GPOFYIUUHNVAGG-TUBUQKNSSA-N 290.382 3.655 30 20 CHED CC1(C)C(CNC(=O)Nc2ccc(F)c(C#N)c2)C1(C)C 1199705193 ISLFYKKQGJUZTL-UHFFFAOYSA-N 289.354 3.501 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1nc(C(F)(F)F)cs1 1348453313 BGYZZMWKQJFOIB-JGVFFNPUSA-N 277.315 3.505 30 20 CHED C#CC1CCN(C(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 1351035400 RPOZLWQZQBFWFZ-RTBURBONSA-N 295.426 3.517 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1nc(Cl)sc1C 1435977595 VBQUUDGUNHCHQV-UHFFFAOYSA-N 299.827 3.649 30 20 CHED CCC(CC)(CC)CNC(=O)c1cc(C#N)ccc1F 1517364551 OFNWRKCHBGGSRS-UHFFFAOYSA-N 276.355 3.644 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CCC[C@@H](C)[C@H]1C 1458515013 FIEVPEKFUJEJFT-XHBSWPGZSA-N 271.360 3.848 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc2c1OCC2 1517708251 GPWBQOBQIQAORD-CQSZACIVSA-N 286.375 3.584 30 20 CHED C[C@@H](OC(=O)c1cc(Cl)ccn1)c1cccc(C#N)c1 1457760842 PUAQUHFFUYEZDY-SNVBAGLBSA-N 286.718 3.525 30 20 CHED CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1523403675 YOCMHBROOOMFSB-FHLIZLRMSA-N 298.430 3.994 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)c1ccccc1Cl 1526759776 UQFXCPVUYNDHBL-UHFFFAOYSA-N 296.757 3.805 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2ccc(C#N)cc2)C1 1524764699 HUZJOQDLJDHRGD-AWEZNQCLSA-N 257.333 3.684 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)oc1C 1460924588 ZYMJURDEPZQEPP-KGLIPLIRSA-N 288.391 3.796 30 20 CHED O=C(O)c1cccc(NN=C2CC[C@H]2C2CCC2)c1F 1602446966 YBFNRBFYYPKODQ-JTQLQIEISA-N 276.311 3.502 30 20 CHED CC(C)(C#N)CCCNc1ccc(F)c(C(=O)O)c1Cl 1603230140 OCHFCDUPWBJRCM-UHFFFAOYSA-N 298.745 3.919 30 20 CHED C[C@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 1534849870 BYZUSAABZNCCBM-PYTWLRIVSA-N 283.371 3.989 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C(C)C)nc2)cc1C#N 1611025980 LGWUJIOGVLCBGU-UHFFFAOYSA-N 279.343 3.637 30 20 CHED N#Cc1ccsc1NC(=O)NC1CCCCCCC1 1476828264 IZUNJZZPLFKIAF-UHFFFAOYSA-N 277.393 3.854 30 20 CHED C[C@H](c1cc(F)ccc1F)N(C)c1ncc(C#N)cc1F 1559074428 RAKNKWUUOJODCA-SECBINFHSA-N 291.276 3.568 30 20 CHED N#Cc1cncnc1SCc1ccc(C(F)(F)F)cc1 1639876829 NNKVYZGRARCSHK-UHFFFAOYSA-N 295.289 3.659 30 20 CHED N#Cc1ccc(CCSc2ncnc3sccc23)cc1 1640699726 DLYJBHQWQQCGMK-UHFFFAOYSA-N 297.408 3.898 30 20 CHED CC[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F 1642715993 BVJKXMXEXPBSCR-GXTWGEPZSA-N 294.345 3.828 30 20 CHED C=C(Br)CN1Cc2ccccc2C[C@@H]1CC 1653198058 QUKZKUDUNKVPBQ-AWEZNQCLSA-N 280.209 3.732 30 20 CHED N#C[C@H]1CC[C@@H](NCc2csc(-c3ccsc3)n2)C1 1656494287 QJLOFFWOOGKCSZ-CMPLNLGQSA-N 289.429 3.653 30 20 CHED CCCCN(CCCC)Cc1ccc(C#N)c(OC)c1 232982332 JPRDMWPQVVPWOG-UHFFFAOYSA-N 274.408 3.969 30 20 CHED C[C@@H](CCC#N)CNc1cc(C(=O)O)c2ccccc2c1 1592470282 GSOFJCCVNRDMQX-LBPRGKRZSA-N 282.343 3.890 30 20 CHED C=C(Cl)Cn1c(N2CC[C@H](C)[C@@H]2C)nnc1C(C)(C)C 1760386785 JQHQUWGSLVTCGU-JQWIXIFHSA-N 296.846 3.563 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)c2ccccc2)n1 25368965 HJIAWLSQTMHIBB-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C=CCN(CCC(=O)O)Cc1ccc(-c2ccccc2)cc1 1776178020 KJDBHHSVOSRHDF-UHFFFAOYSA-N 295.382 3.816 30 20 CHED Cc1cc2[nH]c(C=NNc3cccc(C(=O)O)c3)cc2s1 1776038208 XLWLSNKAARMTFN-UHFFFAOYSA-N 299.355 3.682 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)c1ccccc1C 1776061549 BTDKBBOLULUCFN-UHFFFAOYSA-N 286.306 3.668 30 20 CHED CC[C@@H]1CCCC[C@H]1C=NNc1ccc(C(=O)O)cc1 1776013008 CGNGOIFMWJOFNT-OCCSQVGLSA-N 274.364 3.999 30 20 CHED N#Cc1ccc(NCc2ccc(Br)o2)cc1 19950882 XTXIOFOAMKQTBT-UHFFFAOYSA-N 277.121 3.526 30 20 CHED C=CCN(C)C(=O)Cc1coc2ccc3ccccc3c12 161816265 YTWSLNPPMCUOOZ-UHFFFAOYSA-N 279.339 3.773 30 20 CHED CCCCN(CC)Cc1cccc(OCCCC#N)c1 158973734 IPNUIEOIAOMJBK-UHFFFAOYSA-N 274.408 3.991 30 20 CHED C#Cc1cccc(NC(=O)Nc2cscc2C)c1 160060321 CNYGZONBDRLGCC-UHFFFAOYSA-N 256.330 3.682 30 20 CHED CCSCC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 164592080 BRRZAVNVHKSOMJ-OLZOCXBDSA-N 262.422 3.741 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cc(C)cc(C)c2)CC1 152934437 WVWATRHSLNOPRF-QGZVFWFLSA-N 286.463 3.995 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 153849551 NRMVNOMVLDLWNH-JTQLQIEISA-N 286.297 3.594 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1c1cccc(C)c1C 156252028 JFLHYHJKBDDQFV-INIZCTEOSA-N 272.392 3.726 30 20 CHED CC(C)(C#N)CCN(Cc1cccs1)C[C@@H]1CCCO1 157444115 FAAHXMNNQJQLLS-AWEZNQCLSA-N 292.448 3.669 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(C#N)c(Cl)c2)C1 154309102 GOMNCFHJKARRNO-RISCZKNCSA-N 290.794 3.862 30 20 CHED N#Cc1ccc(NCc2cccc3cccnc23)cc1 20091253 RLTITHWVLBFOLC-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C#Cc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1 809607154 QPGQOBAZPNBWIV-DYVFJYSZSA-N 265.356 3.674 30 20 CHED Cc1ccc(CNc2ccc(CC#N)cc2)cc1C 37301965 OIURMRQVZBVGRT-UHFFFAOYSA-N 250.345 3.982 30 20 CHED Cc1cccc([C@@H](C)NCc2ccc(C#N)cc2)c1 37748459 MCMINCGBNNRJGR-CQSZACIVSA-N 250.345 3.718 30 20 CHED Cc1cc(C(=O)Nc2ccc(OCC#N)cc2)sc1C 45293591 RCGVDYKPPQYEKC-UHFFFAOYSA-N 286.356 3.520 30 20 CHED C=C(Br)CN1CC[C@@H](CC(C)(C)C)C1 307779459 JXONTFPKLCUMGK-NSHDSACASA-N 260.219 3.653 30 20 CHED Cc1ccc(C(C)(C)C)c(OCCO[C@H](C)C#N)c1 311689516 FFPUTQXVAFZJSL-CYBMUJFWSA-N 261.365 3.600 30 20 CHED C[C@H](NCc1cc(C#N)cs1)c1c(F)cccc1F 93492421 HESHHELZEANARF-VIFPVBQESA-N 278.327 3.749 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(-c2ccccc2)c1 709741767 BMTXSRWHBRRZFQ-ZDUSSCGKSA-N 264.328 3.842 30 20 CHED COc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1F 689983467 VDTFCLQUKWWWGD-NSHDSACASA-N 270.307 3.879 30 20 CHED C=C(Br)CN(C)CCc1ccc(Cl)cc1 733614297 KOXOIDUDJMOTGM-UHFFFAOYSA-N 288.616 3.723 30 20 CHED C=CC[C@@H](CC)NCc1cnc(C(C)(C)C)s1 393775347 WYVZILMJLMLTRK-LLVKDONJSA-N 252.427 3.885 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C(F)(F)F)ccc1F 393818362 IYDZEZHDNVBAFB-JTQLQIEISA-N 289.272 3.929 30 20 CHED CSc1ccccc1C(=O)Nc1ccc(C#N)c(F)c1 308102106 GIKUSMOHXDFXMB-UHFFFAOYSA-N 286.331 3.672 30 20 CHED CC(C)[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 171919280 DRLYANDYLNBFQN-AWEZNQCLSA-N 272.392 3.587 30 20 CHED C=CC1CCN(c2ccnc(-c3ccccc3)n2)CC1 110595440 AJYLJUZSNWMDEY-UHFFFAOYSA-N 265.360 3.546 30 20 CHED COc1ccc(CCSc2ccc(C#N)cc2)cc1 108040441 RFOGPBSGNATXEA-UHFFFAOYSA-N 269.369 3.902 30 20 CHED C=CCOc1ccc(CNCc2ccc(F)cc2F)cc1 50198637 SMLYZLZCXOWVQV-UHFFFAOYSA-N 289.325 3.819 30 20 CHED C[C@@H](CC(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1 57462701 CXGAAHMJHFJSPJ-ZDUSSCGKSA-N 296.345 3.507 30 20 CHED C#CCCCCC(=O)Oc1cccc2ccccc12 119514125 ZWENYAFCEUYFLE-UHFFFAOYSA-N 252.313 3.939 30 20 CHED CCN(C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C#N)cc1 174079518 ZQBMUPRQHCHQMF-ARFHVFGLSA-N 282.387 3.737 30 20 CHED CC(C)[C@@H](OC(=O)c1cc(C#N)cs1)c1ccccn1 176476183 NMMYAIHNNYPPPI-CQSZACIVSA-N 286.356 3.569 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)NCc1cccc(C#N)c1 115987866 LFAPUZIWVHCPPH-OAHLLOKOSA-N 292.382 3.677 30 20 CHED O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1cnccn1 115962478 MHFYLVDALBAQMP-DUXPYHPUSA-N 279.126 3.680 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/CCCOC(C)C)cc1 303711680 PMOLBVKIKLCXJP-CQSZACIVSA-N 291.439 3.742 30 20 CHED CC(C)=CCSc1ccccc1C(=O)NC[C@@H](C)C#N 172845592 PBPFZXOZRYVSBB-ZDUSSCGKSA-N 288.416 3.634 30 20 CHED CCOc1cccc(/C=C/C(=O)c2c(C)nn(CC)c2C)c1 65722838 SNNOSHFSEFRLPH-ZHACJKMWSA-N 298.386 3.815 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@@H]1c1cc(C)on1)c1ccccc1 1346152463 HKKDPNAEEJVPAM-NVXWUHKLSA-N 296.370 3.616 30 20 CHED CCc1nnc(Nc2ccc(C(C)(C)C#N)cc2)nc1CC 302758192 WNXFYEMWWVINSK-UHFFFAOYSA-N 295.390 3.541 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)C1CCCCC1 176607512 BCIMSOKXOBHGOD-KSZLIROESA-N 296.414 3.687 30 20 CHED C[C@H](C#N)Oc1ccc(-c2nc3ccccc3n2C)cc1 178967294 OJBKAGLIPUNDPC-GFCCVEGCSA-N 277.327 3.531 30 20 CHED N#Cc1cccnc1Sc1ncc(-c2ccc(F)cc2)[nH]1 301056428 BEMRMFBKLCDGJJ-UHFFFAOYSA-N 296.330 3.634 30 20 CHED C=C[C@@H](CC(=O)NCC1(C2CC2)CC1)c1ccccc1 179525763 MEUKPJRORIEQGB-AWEZNQCLSA-N 269.388 3.653 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 69311500 MQMXZGXHLBIOGX-CQSZACIVSA-N 261.365 3.532 30 20 CHED N#Cc1cc(N[C@H]2C=CCCC2)nc2ccc([N+](=O)[O-])cc12 301622669 OCSKNNWMXYEHBI-LBPRGKRZSA-N 294.314 3.535 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ccc(C#N)nc1)CCC2 179237554 RPXFJXKCSMUVAE-QGZVFWFLSA-N 263.344 3.751 30 20 CHED N#Cc1ccccc1/C=C1\CCc2cc(F)ccc2C1=O 121292728 WSFQCTWKCTWAHT-NTEUORMPSA-N 277.298 3.910 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(-c2ccccc2)cn1 66319530 ACLDLKHTPSLSAJ-CQSZACIVSA-N 296.370 3.668 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccccn1 69914106 MHIDMAJBCPMRPR-UHFFFAOYSA-N 273.380 3.682 30 20 CHED CCOCCCCNc1c(C#N)cnc2c(C)cc(C)cc12 301372280 PYDDIHOSQLAUQQ-UHFFFAOYSA-N 297.402 3.952 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 180416474 KBLGFUKGCBAFBX-AWEZNQCLSA-N 297.398 3.986 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]1c1c(F)cccc1F 302882585 KASVESPANAFRNV-IUODEOHRSA-N 295.292 3.676 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1Nc1ncccc1C#N 303233819 YQIMKPLOXRMEKX-ZFWWWQNUSA-N 257.381 3.970 30 20 CHED CC[C@@H](CC#N)NCc1cc(C)c(C)cc1OC(F)F 184091715 VVLAFFZIOQBBRW-ZDUSSCGKSA-N 282.334 3.687 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc2nc(C)ccc2o1 189929940 KJXQEYBCKGPMFM-UHFFFAOYSA-N 299.374 3.681 30 20 CHED C#CCCCCC(=O)N1CCc2ccccc2[C@H]1CC 120152143 KDOKYSDNUBIMFJ-QGZVFWFLSA-N 269.388 3.716 30 20 CHED C=C[C@H](CC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1 509338622 RUXIAACYGVEFBG-WRNCNIFXSA-N 295.426 3.851 30 20 CHED CC(C)c1nc(C(=O)N[C@H](C)c2cccc(C#N)c2)cs1 75265623 AORNCIOUYYKOOR-LLVKDONJSA-N 299.399 3.629 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCCOC(C)C 182334822 FFMXVBYSJCMRRG-UHFFFAOYSA-N 293.382 3.546 30 20 CHED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)s1 121509291 GDGBIALJJHPRGV-NSHDSACASA-N 284.384 3.931 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(CNCC)c1 415910076 AWHMZHZBYPGNDJ-CQSZACIVSA-N 289.423 3.662 30 20 CHED CC#CCCCC(=O)N1CCN(C2CC2)c2c(C)cccc21 184752408 QZSNLWSQGBWONQ-UHFFFAOYSA-N 296.414 3.504 30 20 CHED N#Cc1ccnc(SCCCOc2ccccc2)c1 78754589 ONFTWNUSZOHTKZ-UHFFFAOYSA-N 270.357 3.514 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@@H](OCC)C1CCCC1 188481286 JTOIDVRGGWUYME-WBVHZDCISA-N 281.440 3.690 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cnn(-c2ccccc2)c1 78642892 OOZQAXVLQOHXGU-UHFFFAOYSA-N 296.418 3.634 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1ccccc1C 410127283 LCJIBODOQXZXKZ-HUUCEWRRSA-N 259.393 3.960 30 20 CHED Oc1ccc(Cl)cc1/C=N/[C@@H]1CCOC2(CCCC2)C1 128485296 NESDHCBHTFOACY-XWAFYUISSA-N 293.794 3.956 30 20 CHED CCCCC[C@@H](C(=O)N(CC)C[C@H](C)C#N)C(C)C 121791019 FYEPZINZDMQROC-HUUCEWRRSA-N 266.429 3.847 30 20 CHED COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 189346277 KZAVOAOODMAFMM-CQSZACIVSA-N 280.371 3.760 30 20 CHED C=C(CC)CSCc1ccc(S(=O)(=O)CC)cc1 419435888 DAVOXEJRBQEIMJ-UHFFFAOYSA-N 284.446 3.680 30 20 CHED N#Cc1ccc(C(=O)N2CCC(c3ccsc3)CC2)cc1 77103624 UQXYOKZRRZSMSW-UHFFFAOYSA-N 296.395 3.640 30 20 CHED C#C[C@@H](C)NC(=O)c1cc(C)ccc1SC1CCCC1 185365780 HXWBEDISTZKTJZ-CYBMUJFWSA-N 287.428 3.781 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CCCOc3c(F)cccc32)C1 185892231 RCRSTSIKEGTWNP-HEHGZKQESA-N 288.366 3.711 30 20 CHED CC(C)(C)CC(=O)Nc1cc(C#N)ccc1OC(F)F 76194669 MFSBCTPZKDIYOB-UHFFFAOYSA-N 282.290 3.534 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1CCc1ccccc1 185216179 DGHZOUACPJNIDJ-GOSISDBHSA-N 283.415 3.804 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 133313835 IPLSEYXRARQKOR-ZDUSSCGKSA-N 291.822 3.943 30 20 CHED C=CCN(CCc1ccccc1)[C@@H](C)c1ncc(C)o1 411190624 HZZFQYNETXAPEI-HNNXBMFYSA-N 270.376 3.775 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 182922588 SNHBIVVSNFTVNP-KBPBESRZSA-N 284.403 3.731 30 20 CHED C#CCCOc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1 183705436 ZYGLFPKKSXWENA-INIZCTEOSA-N 294.398 3.677 30 20 CHED CC[C@@H](CC#N)NC(=O)/C=C(\C)c1ccccc1Cl 183818429 VRWFZGIBGLRUMJ-IIANPFDCSA-N 276.767 3.552 30 20 CHED C=CCCCNc1ccc(C(=O)NC(C)C)c(C)c1 77246024 IPBQUDUFTOBKMM-UHFFFAOYSA-N 260.381 3.511 30 20 CHED C=CCCN(OCc1ccccc1)c1nc(CC)ns1 188548435 OTNFWEAICMHDMR-UHFFFAOYSA-N 289.404 3.615 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N(C)[C@H](C)CC#N 130627574 YQSKHXWPLSHWOE-HCRIHEDKSA-N 276.767 3.504 30 20 CHED OC(=Nc1nncn1C1CC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 329106491 HMIUOXFNGGZVGN-FRRDWIJNSA-N 288.395 3.808 30 20 CHED C[C@@H](OC(=O)c1ccccc1OCC#N)c1cccc(F)c1 193683228 IJBNJTVFKNKMOS-GFCCVEGCSA-N 299.301 3.646 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2sccc2C#N)c1 130570349 NFXYROZXJDNZRY-LLVKDONJSA-N 270.357 3.670 30 20 CHED CC(C)(C(=O)Nc1cc(F)cc(C#N)c1)C1CCCC1 1438463015 YVDCZXPMJGWYSL-UHFFFAOYSA-N 274.339 3.852 30 20 CHED CC(C)(C)c1nnc(N=C(O)[C@H]2CCCSC2)s1 329508767 JKISUYRUDQMSNO-QMMMGPOBSA-N 285.438 3.567 30 20 CHED N#CCCN(Cc1cnc(-c2ccco2)s1)CC1CC1 194379899 WKFUNTIEKZIODU-UHFFFAOYSA-N 287.388 3.529 30 20 CHED C=C(C)CN1CCC(NC[C@H](CC)c2ccccc2)CC1 502990669 PQPRTZGQXGYNRM-KRWDZBQOSA-N 286.463 3.810 30 20 CHED COc1cc(C)c(N[C@H]2CCC[C@@H](C#N)C2)cc1F 193304470 XXZMYQGWVYTWAQ-NEPJUHHUSA-N 262.328 3.637 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccc2c3c(cccc13)CC2 86281603 XQHFPUVHIWBDLW-LBPRGKRZSA-N 293.370 3.704 30 20 CHED C=C(Br)CNC(=O)c1ccc(CCCC)cc1 133262276 JWPWWCWCMNBHQP-UHFFFAOYSA-N 296.208 3.668 30 20 CHED CC1(C/N=C(/O)C[C@H]2CCCC(O)=N2)CCCCC1 329668454 RYUNKBYEBASZBQ-GFCCVEGCSA-N 266.385 3.812 30 20 CHED Cc1ccc(Oc2cccc(C#N)n2)c(Br)c1 81595167 FMEUEEQHROWDCC-UHFFFAOYSA-N 289.132 3.817 30 20 CHED Cc1nc2ccc(/C(O)=N/C[C@@H]3C[C@H]4CC[C@H]3C4)cc2o1 329954999 OCONFEKALXBALC-OBJOEFQTSA-N 284.359 3.877 30 20 CHED CCCOC(=O)c1ccc(NCCCC(C)(C)C#N)cc1 133651421 KRBCXVFOCXOTHS-UHFFFAOYSA-N 288.391 3.995 30 20 CHED C=CCN(Cc1nc(CCC)cs1)CC(F)(F)F 426415207 CQAOYTPKYDTGED-UHFFFAOYSA-N 278.343 3.646 30 20 CHED Cc1nnc(Sc2ccccc2Cl)c(C#N)c1C 40217301 FBCORZXRNCSHGN-UHFFFAOYSA-N 275.764 3.770 30 20 CHED Cc1nnsc1C/N=C(/O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329109932 JDCCDOAZBGCXPH-RWMBFGLXSA-N 293.436 3.910 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1F 195503062 DOSQJJPWQXRYKP-FNORWQNLSA-N 291.709 3.779 30 20 CHED OC1=NCCC[C@H]1/N=C(/O)[C@@H]1C[C@H]1c1ccc(Cl)s1 329915740 YOUQDXJTQZENHB-IWSPIJDZSA-N 298.795 3.580 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C[C@H]1CC=CCC1 512046258 RRRAKCCHTHVOSA-INIZCTEOSA-N 266.388 3.903 30 20 CHED C=CCC[C@@H](NC[C@H]1CC[C@H](CN)CC1)c1ccco1 423428817 RVFFGEULQVRBAO-BZUAXINKSA-N 276.424 3.642 30 20 CHED C#CCCCC(=O)Nc1sc2c(c1C#N)CCCCC2 192056410 VYXZDNOJPGTJEJ-UHFFFAOYSA-N 286.400 3.631 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2cccc(Cl)c2)C1 192606708 QMJVYKHGMYJHQY-ZFWWWQNUSA-N 262.784 3.554 30 20 CHED Cc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1C 142788025 YRMZWIREKOQLRT-LZYBPNLTSA-N 266.296 3.625 30 20 CHED C=C(C)CN(C)C(=O)CCCCC(=O)c1ccc(F)cc1 427935136 NWZUZXVGMQRSHX-UHFFFAOYSA-N 291.366 3.603 30 20 CHED Cc1oc2ccc(N=C(O)N[C@@H]3CCC[C@H]3C#N)cc2c1C 330051302 NGKGOVSPJYLIIT-SWLSCSKDSA-N 297.358 3.877 30 20 CHED CCC(CC)N(Cc1cc(C#N)ccc1F)C1CC1 517125058 PNFOYUQLYLVBMK-UHFFFAOYSA-N 260.356 3.850 30 20 CHED Cc1cc(C(=O)Oc2ccc(C#N)cc2)nc2ccccc12 192645962 WVVCACBFVALOLA-UHFFFAOYSA-N 288.306 3.634 30 20 CHED CC(=O)c1c(C)cc(C)c(CN(CCC#N)CC2CC2)c1C 81043312 RLLPCCBHZBBKPH-UHFFFAOYSA-N 298.430 3.940 30 20 CHED Cc1cc(F)ccc1-c1noc(-c2ccc(C#N)cc2)n1 230997907 DWBZFBOMPHXSGS-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)c1ccc(C2=CCCC2)cc1 517384641 IPWDSIORBJMGJB-GOSISDBHSA-N 280.371 3.676 30 20 CHED C[C@H](N[C@H](C)c1ccncc1F)c1ccc(C#N)cc1 338006503 CSAMJUFQJVUJSV-NWDGAFQWSA-N 269.323 3.504 30 20 CHED Cc1cccc(-c2[nH]ncc2CN(CCC#N)CC2CC2)c1 93091402 HIXJZPQWRXTQQF-UHFFFAOYSA-N 294.402 3.511 30 20 CHED CN(CC(C)(C)CCC#N)[C@H]1CCCN(c2ccccc2)C1 93511475 YOUXNBAZEMHLTG-SFHVURJKSA-N 299.462 3.917 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)NCC(C)(C)CCC#N 513140889 KXDZIDPFIYVFPC-HNNXBMFYSA-N 293.455 3.927 30 20 CHED COCC1(CCNc2cc(Cl)ccc2C#N)CCC1 338736383 OWYKTHNZYKWSAJ-UHFFFAOYSA-N 278.783 3.830 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)cc1F)C(F)(F)F 532721097 XIYBDDNKQJWNMS-GFCCVEGCSA-N 274.261 3.518 30 20 CHED N#Cc1c(Cl)nsc1Oc1ccc(Cl)nc1 92686074 RZQGSIHSOGTVDX-UHFFFAOYSA-N 272.116 3.509 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnn(C(CC)CC)c1C 428050593 SWQZALAXSDKYFM-HNNXBMFYSA-N 289.423 3.733 30 20 CHED Cc1cccc(CC(=O)Nc2sccc2C#N)c1Cl 336091791 RMWUVAHEYSLZPJ-UHFFFAOYSA-N 290.775 3.763 30 20 CHED N#CC1(C(=O)NCc2c(F)cccc2Cl)CCCCC1 516705607 FFTFVRLJRKMOHM-UHFFFAOYSA-N 294.757 3.569 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CC[C@@H](CC)O1)c1ccccc1 435282148 UIRHYMNUILOZMH-IKGGRYGDSA-N 287.403 3.768 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)c(Cl)c1 334533379 HFYHVSGTQBGNBP-JTQLQIEISA-N 298.720 3.780 30 20 CHED Cc1nc(-c2nc([C@@H]3CCC[C@@H](C)C3)no2)ccc1C#N 331691893 SVMGCXVNSBAIPQ-ZYHUDNBSSA-N 282.347 3.605 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1ccc2ccccc2n1)OCC 339357670 ISIIPIQJXRQRCO-INIZCTEOSA-N 298.386 3.569 30 20 CHED O=C1CCC(/C(O)=N/C[C@H]2CCC3(CCCCC3)O2)CC1 330161496 RUKOWCRUEARJGI-OAHLLOKOSA-N 293.407 3.584 30 20 CHED CCOc1cc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)ccc1OC 331308441 XTJIBOLJCRUDHK-NWDGAFQWSA-N 292.379 3.608 30 20 CHED CCCN(CCCSCC#N)[C@H]1C[C@@H](OCC)C1(C)C 342145646 KZMXUJKIECZBPQ-LSDHHAIUSA-N 298.496 3.549 30 20 CHED CC(C)N(CCC#N)Cc1csc(-c2cccs2)n1 535786501 SSDJOOUKRODLDR-UHFFFAOYSA-N 291.445 3.996 30 20 CHED CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Cl 342806825 UCFMMNCMTBQBGW-WCQYABFASA-N 278.783 3.521 30 20 CHED Cc1ccsc1CN(C)Cc1ccc(C#N)s1 349544845 ZWMIKQIWWUHWPB-UHFFFAOYSA-N 262.403 3.622 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(CC#N)cc2)C1(C)C 248200943 VQHGNXHYDMFHBC-HZPDHXFCSA-N 282.387 3.930 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1nc2c(C)cccc2s1 436088266 KZGHJKAVHKWHEC-UHFFFAOYSA-N 297.339 3.630 30 20 CHED N#CCC[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 247027642 YFOATCNANWGQSY-OWLYRPNTSA-N 296.414 3.974 30 20 CHED COc1cccc2c1CCCN2Cc1cc(C#N)ccc1F 433316569 IWJDHWPAISSWAC-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CC12CC3CC(CC(C3)C1)C2 608822473 FCPWHLGXVUODRQ-KUNBBXKYSA-N 288.435 3.647 30 20 CHED COc1cccc(-c2nnc(SCCCCC#N)o2)c1 600607327 XERHXIZUOCXSEI-UHFFFAOYSA-N 289.360 3.531 30 20 CHED C[C@@H](CCC#N)CN(C)CCOc1cccc(Cl)c1 602435601 ICSOUFLBYGVOMH-ZDUSSCGKSA-N 280.799 3.590 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C#N)c1 524518385 ZFBJEDPSWUTGMK-GDBMZVCRSA-N 270.376 3.647 30 20 CHED C=CCOc1cccc(NC(=O)NCCSC(C)C)c1 349159790 MZJCCXKLNOFHHG-UHFFFAOYSA-N 294.420 3.515 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cccc2ccccc12 538194067 FWCJYZDLSWHUSP-CABCVRRESA-N 269.388 3.675 30 20 CHED C=CCOCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 522732456 LQSULXFCLHJAMG-QGZVFWFLSA-N 287.403 3.641 30 20 CHED C=CCN(CC=C)C(=O)CCSCc1ccccc1 348088405 GYLDIUGQKSEOBX-UHFFFAOYSA-N 275.417 3.511 30 20 CHED CCN(CCC#N)Cc1csc(C(F)(F)F)c1 600111330 GKOFLDSJVHLYJF-UHFFFAOYSA-N 262.300 3.502 30 20 CHED C=CCOCCCN(C)[C@H](C)c1cc(F)ccc1F 347972384 PTYHUPBPGOKWAE-GFCCVEGCSA-N 269.335 3.550 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1c1nc([C@H]2CCc3ccccc32)no1 346520546 AYYWDTZIXFGHTK-XHSDSOJGSA-N 296.370 3.596 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3ccccc3)ccc21 255518920 ARXIRBFURKJVAR-NTMALXAHSA-N 263.340 3.575 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1ccc(F)c(F)c1 255890936 PFBJGKODOMBAFS-ALCCZGGFSA-N 284.265 3.509 30 20 CHED Cc1nc(CON=Cc2ccccc2OC(C)C)cs1 254956101 BVRZZGVDYPJDGB-UHFFFAOYSA-N 290.388 3.789 30 20 CHED N#CCc1cccc(C(=O)N(C2CCCCC2)C2CC2)c1 603737780 RKYRABVGOWAKQI-UHFFFAOYSA-N 282.387 3.690 30 20 CHED C=C1CCN(Cc2cnc(C3CCCC3)s2)CC1 353334259 UFYMEZBLEOGGEI-UHFFFAOYSA-N 262.422 3.953 30 20 CHED N#Cc1ccc(N2CCCO[C@H](c3ccccc3)C2)c(F)c1 609232878 JTQFHMDSSSLJDX-SFHVURJKSA-N 296.345 3.665 30 20 CHED CC1(C)CC[C@@H](C(=O)Nc2ccc(C#N)cc2Cl)C1 541960917 XZQOYRPCACBDRZ-LLVKDONJSA-N 276.767 3.976 30 20 CHED CC1(C#N)CCC(NCCOc2ccccc2Cl)CC1 449201633 IYRSUQFFIQTRFD-UHFFFAOYSA-N 292.810 3.781 30 20 CHED COC(=O)c1ccc(C(C)C)c(N[C@H]2CC[C@H](C#N)C2)c1 442880636 ZFBFACKZIFVCDK-JSGCOSHPSA-N 286.375 3.701 30 20 CHED C=C(CC)CSCC(=O)NCc1ccc(Cl)s1 536880768 GZLFVWUEHLLGBY-UHFFFAOYSA-N 289.853 3.717 30 20 CHED Cc1ccc(C)c(N[C@@H](C#N)Cc2ccccc2)c1 604553186 ZEQYKZIYOYMDQS-MRXNPFEDSA-N 250.345 3.850 30 20 CHED CC[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1ccc(C#N)cc1 447590467 CSWQTDGWNRCLMT-JQFCIGGWSA-N 272.392 3.557 30 20 CHED C=CCC(C)(C)CNC(=O)c1sccc1C1CC1 352503986 LYLOLHMJGVTASY-UHFFFAOYSA-N 263.406 3.958 30 20 CHED CSCc1ccc(CNC[C@H](C)CCC#N)cc1 602655256 OASTUPKNFJNTNK-CYBMUJFWSA-N 262.422 3.579 30 20 CHED COC[C@H](NC[C@@H](C)CCC#N)c1cccc(Cl)c1 602667999 ACOHMEGUKBBUEO-WFASDCNBSA-N 280.799 3.557 30 20 CHED COC(=O)c1cccnc1S[C@@H](C)c1cccc(C#N)c1 442916080 UUXGJAZEAJIYBY-NSHDSACASA-N 298.367 3.593 30 20 CHED C[C@@H](c1ccccc1)N(C)CC#Cc1ccc(F)cc1 448447282 NMFISSUBBXXRFH-HNNXBMFYSA-N 267.347 3.870 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 617778370 FAFYIXCZTUNPJL-CQSZACIVSA-N 280.371 3.663 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](CC(C)C)c1ccccc1 358058112 QFCUAARJQPLSFU-HZPDHXFCSA-N 272.392 3.625 30 20 CHED N#CCc1cccc(C(=O)N2CCC3(CCCC3)CC2)c1 265733691 RXCXNYJUWBGTIG-UHFFFAOYSA-N 282.387 3.549 30 20 CHED C=C(C)CN1CCC(NC2CCC(CSC)CC2)CC1 449121620 IJESRIUYMLJHIB-UHFFFAOYSA-N 296.524 3.538 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(OC)cc1 537185672 NNNFVOUPSLCRJM-KBPBESRZSA-N 290.407 3.800 30 20 CHED C=CCN(CCC#N)C(=O)CCCCc1ccc(C)cc1 359439173 WKBKHSUZAMEGAV-UHFFFAOYSA-N 284.403 3.636 30 20 CHED N#Cc1ccc(SCC(=O)C2CCCCC2)c(F)c1 535542591 NFXWAZDTQALKAH-UHFFFAOYSA-N 277.364 3.939 30 20 CHED C[C@@]1(c2ccccc2)CCN(Cc2ccc(F)cc2C#N)C1 446731196 FKIBEFXABVMSRI-LJQANCHMSA-N 294.373 3.861 30 20 CHED COc1ccc(CN(Cc2ccc(C)o2)C2CC2)cc1C#N 610991785 KAZSTXNUNZFPBY-UHFFFAOYSA-N 296.370 3.633 30 20 CHED C[C@@H](CCC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612236600 MEHWNCAIVDMYRA-MAUKXSAKSA-N 284.403 3.723 30 20 CHED C[C@@H]1c2ccccc2OCCN1Cc1cc(C#N)cs1 611262730 MTFRPLALGJQYCZ-GFCCVEGCSA-N 284.384 3.575 30 20 CHED C=CC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 537627953 UUEJTTINHSWJCX-FNORWQNLSA-N 272.348 3.506 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C)C[C@@H]1CC)c1ccccc1 536202879 FIZQDSNLZGKBHG-UXLLHSPISA-N 271.404 3.993 30 20 CHED C=CCCCC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 362147393 FGZXXVBWCZMRRL-AWEZNQCLSA-N 291.366 3.900 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 530597292 RNTSLUJFVHASGB-OTYXRUKQSA-N 299.201 3.905 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc2c1CCO2 619466072 FZFMCPJNHNGNDK-KRWDZBQOSA-N 290.366 3.983 30 20 CHED COc1ccc(C2(NCc3ccc(C#N)cc3C)CC2)cc1 614407676 WFUWPPSOJBXFQT-UHFFFAOYSA-N 292.382 3.654 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)C1 531808711 FXWVDBDTCXEJQQ-QXCFYTAISA-N 296.414 3.578 30 20 CHED C[C@H](C#N)CN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 264020921 WJCKXPAWQYGYHM-MNOVXSKESA-N 270.298 3.858 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 457011595 IMVVPJPJXIELGW-KRWDZBQOSA-N 298.430 3.776 30 20 CHED C[C@@H](CNCC(C)(C)C#N)c1cccc(Br)c1 612588259 VJVXVAUAYZLHNE-NSHDSACASA-N 295.224 3.692 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2Cl)CC1 264096448 MDJSPCIIWZULLH-UHFFFAOYSA-N 250.729 3.524 30 20 CHED CCC[C@@H](CN1CC[C@](F)(C#N)C1)c1ccccc1 615652025 VULKYMJXTGHBPM-HOTGVXAUSA-N 260.356 3.508 30 20 CHED C=CCC1(C(=O)NCc2cc(F)cc(OC)c2)CCCC1 450364895 ZLCBHPIAFHFIMM-UHFFFAOYSA-N 291.366 3.587 30 20 CHED C=C[C@@](C)(CCOC)c1nc(C2C(C)(C)C2(C)C)no1 624743422 FGESVMWULILKJT-INIZCTEOSA-N 278.396 3.699 30 20 CHED C=C(C)[C@H](Cc1nc([C@@H]2CCC[C@H](C)C2)no1)OCC 273973442 QOLGDUUYFGZVPX-MJBXVCDLSA-N 278.396 3.887 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2C[C@H](c3ccccc3)C2)C1 367183097 BLVILGABFVUREI-HJWJTTGWSA-N 254.377 3.605 30 20 CHED CC(=O)Nc1ccc(Oc2cccc(F)c2C#N)c(F)c1 361181507 NGBQTMUSZIWGSG-UHFFFAOYSA-N 288.253 3.587 30 20 CHED CN(CC(C)(C)C#N)C(=O)NCCCCC1CCCC1 458474946 QKARBABRYMBSEY-UHFFFAOYSA-N 279.428 3.538 30 20 CHED COc1cc(C)ccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 271921792 FAFIWKPRMOIQNV-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED C=C(C)CNC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 362648554 JWUPABXDGQFHNA-UONOGXRCSA-N 257.377 3.668 30 20 CHED C=CCCNc1cc(Cl)ccc1OC[C@H]1CCOC1 547955275 BGEJGSOYMKJWIR-LBPRGKRZSA-N 281.783 3.743 30 20 CHED C=C(C)[C@H](Cc1nc([C@@H]2CCCC[C@@H]2C)no1)OCC 273876961 NYXPTSWFCFICIX-MJBXVCDLSA-N 278.396 3.887 30 20 CHED C=CCC[C@H](NC[C@H](CCC)OC)c1ccco1 453260447 YDUWDWYETNQZIW-KBPBESRZSA-N 251.370 3.692 30 20 CHED N#CC1(C(=O)Nc2ccc3cccc(Cl)c3n2)CCC1 272538655 FGWRAPNZTAHOSN-UHFFFAOYSA-N 285.734 3.521 30 20 CHED C=CCN(CCC(C)(C)O)Cc1ccc(Cl)s1 462309917 DPQFIZWWMWBWIC-UHFFFAOYSA-N 273.829 3.551 30 20 CHED CC(C)CCOc1ccc(N=c2ccc(C#N)c[nH]2)cc1 466629488 SRJXEBMWCCRFCI-UHFFFAOYSA-N 281.359 3.544 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2c(ccn2CCC)c1 465244565 LCMIBGUOTRFYII-GFCCVEGCSA-N 271.364 3.747 30 20 CHED C[C@H](C(=O)N1CC=C(C(C)(C)C)CC1)c1cccc(C#N)c1 462266876 DKQGRQKTVPWIKS-AWEZNQCLSA-N 296.414 3.867 30 20 CHED Cc1c(C(=O)N[C@](C)(C#N)C(C)(C)C)oc2ccccc12 274354142 RRSIOXVNKDBSTK-QGZVFWFLSA-N 284.359 3.799 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1CCC 461745328 AGDBHKDVZQBBJG-TZMCWYRMSA-N 263.406 3.699 30 20 CHED C=C(C)CCNc1ccccc1[C@H](O)C(F)(F)F 288760772 SIBPIUBOGDXEPM-LBPRGKRZSA-N 259.271 3.660 30 20 CHED Cc1cc(N2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc(C#N)n1 553154156 ASQLAXSUXSYLRI-RDJZCZTQSA-N 291.398 3.719 30 20 CHED C=CCCC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 378482561 DTWSPDPABNMTHK-AWEZNQCLSA-N 275.367 3.888 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(CC)C(C)C 460579278 UXCMCWGJBOGNCL-CYBMUJFWSA-N 264.417 3.602 30 20 CHED C=CCCCC(=O)Nc1c(C)cnc2c(OC)cccc12 551630981 MSNAWGBONYHBDL-UHFFFAOYSA-N 284.359 3.847 30 20 CHED CN(CC1CCC1)c1c(C#N)cnc2ccc(Cl)cc12 462837339 GLPAVLTWOYJQBZ-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccccc1)C1CC1 281513183 XLZGBIOFONVAOA-OAHLLOKOSA-N 272.392 3.715 30 20 CHED C=CCC1(c2nc(-c3coc(CCC)n3)no2)CCC1 289168667 QCOWGVJRBBCQHF-UHFFFAOYSA-N 273.336 3.675 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2c(s1)CCCCCC2 556792835 YAOAZTYJKBFVEC-HNNXBMFYSA-N 291.420 3.680 30 20 CHED CCc1ccc(CC(=O)N[C@](C)(C#N)C2CCCCC2)cc1 559595114 QGEFZTQIYGNGJA-LJQANCHMSA-N 298.430 3.770 30 20 CHED CCc1[nH]ccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 285440304 MCIQSCFPWPNTAU-UHFFFAOYSA-N 281.359 3.631 30 20 CHED C=CCOCCCC(=O)N(CC(C)(C)C)CC(C)(C)C 557479175 FKZCXECBLHYXGY-UHFFFAOYSA-N 283.456 3.890 30 20 CHED N#Cc1ccc(NC(=O)NCCc2ccccc2)c(Cl)c1 470404189 NSBHOSFZMAESAG-UHFFFAOYSA-N 299.761 3.576 30 20 CHED C=CCN(CCC#N)c1ncc(C(F)(F)F)cc1Cl 291980468 WXXNDCDUSQYCCM-UHFFFAOYSA-N 289.688 3.660 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(-n2cccn2)cc1 471618258 KBOACCFTPDSPIX-HNNXBMFYSA-N 269.392 3.879 30 20 CHED CCCCN(CCO[C@H](C)C#N)[C@H](C)c1ccccc1 801913848 OJKGNNVJWIACRC-HZPDHXFCSA-N 274.408 3.778 30 20 CHED CCCC[C@@H](C)C(=O)OCc1cccc(C#N)c1F 800274624 TWSCUJVIQGYXEI-LLVKDONJSA-N 263.312 3.567 30 20 CHED C=CCC[C@H](NCCN1CCC[C@@H](C)C1)c1ccco1 552254624 NYOLELHYHALUAQ-CVEARBPZSA-N 276.424 3.608 30 20 CHED CN(CCCOc1ccc(Cl)cc1)CC(C)(C)C#N 554853094 JUGRHGUOZCKVOJ-UHFFFAOYSA-N 280.799 3.590 30 20 CHED CCc1cc(NN=C2CC[C@@H]2CC)nc(-c2ccccn2)n1 807970006 RPESFBHNJUEEDA-LBPRGKRZSA-N 295.390 3.689 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccc(OCC)cc1 472863935 PLEWXFRLCLWSSQ-UHFFFAOYSA-N 290.407 3.583 30 20 CHED C#Cc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1 809583258 JXQOTRKKPPKJLD-DLBZAZTESA-N 271.429 3.528 30 20 CHED CC(C)c1ccc(O[C@H](C)CN[C@H]2CC[C@@H](C#N)C2)cc1 566873315 PGOWMLYQZBWSKD-INMHGKMJSA-N 286.419 3.859 30 20 CHED CSC[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 292405837 LOSMSVNSYKQDKR-UKRRQHHQSA-N 274.433 3.694 30 20 CHED C=CCC(C)(C)c1nc(-c2ccccc2OC)no1 291896885 LFNOIPRPXDSOJB-UHFFFAOYSA-N 258.321 3.599 30 20 CHED C=CCC[C@H](NCc1ccc(C(F)F)cc1)C(=O)OCC 560152814 YAJHTAYWAMQSQU-AWEZNQCLSA-N 297.345 3.612 30 20 CHED C#C[C@H](NC(=O)[C@@H](CC=C)c1ccccc1)C(C)(C)C 807881898 FNJKIFMQTVXVLC-HOTGVXAUSA-N 269.388 3.510 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)C1CCC1 562984088 ZMVJNGDDHYYSQW-NSHDSACASA-N 283.375 3.507 30 20 CHED N#C[C@H](OC(=O)[C@@H]1CCCC(F)(F)C1)C1CCCCC1 800277486 IZZXZVUSVMQLKD-OLZOCXBDSA-N 285.334 3.828 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 805347265 HMBPZQDFBNWEDQ-MSOLQXFVSA-N 298.430 3.550 30 20 CHED Cc1sc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c(C#N)c1C 565877318 YHNOCBDQZYGXGF-SDDRHHMPSA-N 274.389 3.611 30 20 CHED CN1Cc2cc(OCCC3(C#N)CCCCC3)ccc2C1=O 567097297 LUSINXHYZHJNRF-UHFFFAOYSA-N 298.386 3.515 30 20 CHED C=CCOc1ccccc1CNCCCc1cnccc1C 561953076 FAQZRCWPQGLABA-UHFFFAOYSA-N 296.414 3.677 30 20 CHED N#Cc1c(F)cccc1SCCOc1ccccc1 560373897 LAYSATFGZISHGQ-UHFFFAOYSA-N 273.332 3.868 30 20 CHED C#C[C@H](NC(=O)NCCCC1CC1)c1ccc(Cl)cc1 811882945 MRCVNHDLFOJHIM-HNNXBMFYSA-N 290.794 3.504 30 20 CHED C(=NOCC1CC1)c1cnc(-c2cccs2)s1 814244024 XVZFRPIZJIVPTK-UHFFFAOYSA-N 264.375 3.632 30 20 CHED C=CCc1ccccc1OCCCO[C@@H]1CCCCO1 564077688 DYQKMGOQRGTHFR-QGZVFWFLSA-N 276.376 3.727 30 20 CHED N#Cc1c(Cl)nsc1NC1(Cc2ccccc2)CC1 811846464 KNIXYRSZWQMHLO-UHFFFAOYSA-N 289.791 3.855 30 20 CHED CN(C)c1ccccc1CNN=C1CCC[C@@H]1C(C)(C)C#N 814926031 QRIDKVMQJPGSFV-HNNXBMFYSA-N 298.434 3.548 30 20 CHED C#C[C@@H](C)N(C)C(=O)C1(Cc2cccs2)CCCCC1 813234504 PZOIQMPLZGUORE-CQSZACIVSA-N 289.444 3.721 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc2[nH]ccc2c1 811649578 RCOBSPGAZIMRTD-OAHLLOKOSA-N 255.365 3.670 30 20 CHED C#CCCCCC(=O)N1CCC[C@H](c2ccccc2)C1 814334148 HQURJWVWZSRWBC-KRWDZBQOSA-N 269.388 3.586 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](COC)c1cccc(OC)c1 658165133 PSPVISAOZMZBEH-JJRVBVJISA-N 277.408 3.573 30 20 CHED CC(Cc1c(Cl)cccc1Cl)=NNc1nccn1C 814918563 VETTYROLPMBAMM-UHFFFAOYSA-N 297.189 3.757 30 20 CHED C=CCC1(NC[C@@H]2CCCC(C)(C)C2)CCOCC1 657633145 IPBJGWASMDRBAS-OAHLLOKOSA-N 265.441 3.918 30 20 CHED Oc1ccc(C2CCC(=NOC3CCOCC3)CC2)cc1 814906125 GXOSGDCFDPBMQT-UHFFFAOYSA-N 289.375 3.601 30 20 CHED CC[C@H](c1ccccc1OC)N(C)c1ccc(C#N)c(C)n1 488046479 UZAILUCAFLQLAN-MRXNPFEDSA-N 295.386 3.858 30 20 CHED C[C@@H](NN=C1CCSc2ccccc21)c1ccncc1 819814912 IBSGHACYDQXPBR-GFCCVEGCSA-N 283.400 3.632 30 20 CHED Fc1ccc(NN=C2CC[C@H]2C2CC2)c(F)c1F 814946274 IMJZBDFYWLLHMY-QMMMGPOBSA-N 254.255 3.692 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 816603145 AKUHOJSKLXEVPI-ZWNOBZJWSA-N 290.234 3.631 30 20 CHED CN(C(=S)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 726451444 NSSSISQNMIENDR-UHFFFAOYSA-N 293.823 3.783 30 20 CHED C#CCOC(=O)c1sc2cc(C)ccc2c1Cl 729186403 UIJVTYGFLJHDHC-UHFFFAOYSA-N 264.733 3.653 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H](c2ccccc2)CC1 815318285 JUFMDTPRYLQQAC-OAHLLOKOSA-N 293.357 3.994 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](CCCCC)c1ccccc1 812025609 BJXUAYPOEIATSC-DOTOQJQBSA-N 286.419 3.971 30 20 CHED COc1ccccc1CON=C1CCCC[C@@H]1CCCO 814923949 RNDNCCGIAKAXLO-CQSZACIVSA-N 291.391 3.531 30 20 CHED CC(C)[C@@H]1CC(=NNc2cc(Cl)ccn2)CS1 814898085 KATJEBVFISMVQM-NSHDSACASA-N 269.801 3.664 30 20 CHED Cc1cc(C=NOC2CCC2)c(OC(F)F)cc1C 812237221 PYMZDWGCYUNDAN-UHFFFAOYSA-N 269.291 3.808 30 20 CHED N#CCCNc1ccc(OCC2CCCCC2)cc1 819432839 OJCVIABTVCAHRH-UHFFFAOYSA-N 258.365 3.971 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 484069165 LPEIHFMJNFLOLG-CYBMUJFWSA-N 287.407 3.880 30 20 CHED C=CCCC(=O)CSc1nc(CC)nc2ccccc12 655541856 FWGFQZTZQVOOKA-UHFFFAOYSA-N 286.400 3.820 30 20 CHED N#Cc1ccc(CN(Cc2ccc(Cl)cc2)C2CC2)nc1 577929430 AEBKXAJWKGDCDT-UHFFFAOYSA-N 297.789 3.771 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H](C)c2ccccc2)cc1 576787329 YNMYYBRNHYAFFZ-KDOFPFPSSA-N 292.382 3.734 30 20 CHED C#Cc1cccc(N(C)C(=O)C(C)(C)c2ccc(C)cc2)c1 728481742 UOFIRZVFOAMQNK-UHFFFAOYSA-N 291.394 3.917 30 20 CHED CC(C)c1ccc(N[C@@H](C(=O)O)c2cccc(C#N)c2)cc1 827124477 MQQUZOCACDFTRZ-QGZVFWFLSA-N 294.354 3.919 30 20 CHED C#CCCCOc1cccnc1NCc1cccs1 820605492 SULZKIJDDLQXMG-UHFFFAOYSA-N 272.373 3.547 30 20 CHED CCCCCCCC(=O)NCc1ccnc(Cl)c1 823651216 VQCMLISTPQHHPD-UHFFFAOYSA-N 268.788 3.712 30 20 CHED C=CCCCCN[C@H](Cc1nc(C)no1)c1ccccc1 576583541 VKRYYJGRQNPPRY-MRXNPFEDSA-N 285.391 3.608 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(CCC)cs1 495404687 MIGXCQKOBXAJBV-UHFFFAOYSA-N 252.383 3.636 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCC1(F)F 820969731 QCHKJZARCXDIGK-NEPJUHHUSA-N 259.340 3.530 30 20 CHED CON(C(=O)c1cccc(C#N)c1)[C@@H](C)c1ccccc1C 820038159 GOCPZEMQOZJCFK-AWEZNQCLSA-N 294.354 3.632 30 20 CHED C#C[C@H](NC(=O)Nc1cc(C)ccc1C(F)(F)F)C(C)C 825435663 GLZQOZOLBBUSFX-LBPRGKRZSA-N 298.308 3.793 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCc2sccc2C)C1 660477201 JIZZQIJTBBWJAZ-ZDUSSCGKSA-N 278.421 3.554 30 20 CHED CCN(CCC#N)C(=O)/C=C(\C)c1ccccc1Cl 728611681 XITLIZMCRHFGKB-VAWYXSNFSA-N 276.767 3.505 30 20 CHED C=CCCCN(C)[C@H](COC)c1ccc(Cl)cc1 490039582 CMPKVPGHWDTWDD-OAHLLOKOSA-N 267.800 3.926 30 20 CHED C#C[C@H](OC(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1 821612622 CHRIBCOQAIDRMY-KLQCNHIUSA-N 297.741 3.666 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccccc2C#N)cc1[N+](=O)[O-] 588618472 UUHOWVWMAPTZLR-HJWRWDBZSA-N 292.294 3.671 30 20 CHED CC(C)(Oc1ccc(C#N)cc1)c1nc(C2CCC2)no1 903447555 XRNXAMJLNDWYDC-UHFFFAOYSA-N 283.331 3.523 30 20 CHED C=CC[S@](=O)Cc1nc(C2CCCCC2)cs1 905195534 DUHPTOLSZRBXRO-KRWDZBQOSA-N 269.435 3.626 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1 908635160 FPPLUHHXWGAZOB-NVXWUHKLSA-N 299.414 3.707 30 20 CHED CC#CCCNC(=O)Nc1ccc(Cl)cc1Cl 497652402 PWKZAZVRKZRUDT-UHFFFAOYSA-N 271.147 3.528 30 20 CHED CN(Cc1cccs1)c1ccc(CNCCCC#N)cc1 824147951 SONWVSBHTTXLFT-UHFFFAOYSA-N 299.443 3.778 30 20 CHED CC[C@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 903054339 WXMUKIOAKIBGMC-RBUKOAKNSA-N 292.382 3.992 30 20 CHED C#CCCCCN[C@H](C)c1ccc(C(F)(F)F)cn1 902878737 LCYBPTDOAVZHRK-LLVKDONJSA-N 270.298 3.555 30 20 CHED CC(C)C[C@H](C)CNCc1ccc(C#N)c(Cl)c1 589178216 LQPVCBTVUTZKPR-LBPRGKRZSA-N 264.800 3.983 30 20 CHED Cc1cc(N)ccc1C(=O)OCCCCC1(C#N)CCC1 908991497 UCXMRCVIQASYFN-UHFFFAOYSA-N 286.375 3.598 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(Cl)cc2)C1 839044451 RPDTYRKDSSWETO-GWCFXTLKSA-N 263.724 3.579 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)COC3)C1 666507601 WJFBMGQJNZUBSN-CYBMUJFWSA-N 286.375 3.537 30 20 CHED N#Cc1ccc(-c2nc(C3CC3)ns2)cc1Cl 904781010 CVBGUANARIGCNN-UHFFFAOYSA-N 261.737 3.608 30 20 CHED CC1(C)OCC[C@H]1NN=C1CC[C@@](C)(c2ccccc2)C1 835015836 GLDUUQZOKAHSQI-SJLPKXTDSA-N 286.419 3.641 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H](C)C1CCCC1 661899650 VNEUODBJIPIPTA-LLVKDONJSA-N 284.359 3.526 30 20 CHED C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(C)[C@H](C)C#N 839367068 OFWRAGMUKNPLPP-TTZKWOQHSA-N 297.185 3.767 30 20 CHED N#Cc1ccc(CN2CCSc3ccccc32)s1 580936524 VPLRUOSENALSOL-UHFFFAOYSA-N 272.398 3.732 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)cn1 902867570 CROXXQLACQZSRZ-NXEZZACHSA-N 258.287 3.716 30 20 CHED C#CCOc1cccc(NC(=S)Nc2cccc(C)c2)c1 730950806 FBBAGPNXZMSDND-UHFFFAOYSA-N 296.395 3.816 30 20 CHED Cc1ccc(CNN=C2CCC(C)(C#N)CC2)cc1 835009399 VGFNFTBNSRMOOI-UHFFFAOYSA-N 255.365 3.545 30 20 CHED Cc1cccc(C=NN[C@@H](C)c2ccccc2)c1C 731151261 KQJALUMFFVQGEZ-HNNXBMFYSA-N 252.361 3.988 30 20 CHED N#Cc1csc(/C=C2\Oc3cc(F)cc(F)c3C2=O)c1 588450293 WHZIKWCSGJINAW-QCDXTXTGSA-N 289.262 3.514 30 20 CHED CC(=O)c1cc(N[C@H](C#N)Cc2ccccc2)ccc1F 671644259 RMTXMGAHSQESIK-HNNXBMFYSA-N 282.318 3.575 30 20 CHED CCOc1c(Cl)cc(NC(=O)C#CC2CC2)cc1Cl 837533424 FWLLCIALYUEKCU-UHFFFAOYSA-N 298.169 3.744 30 20 CHED C=CCN(CC=C)C(=O)NCC1CCCCCCC1 918115092 XGWOTVDUKAQBRM-UHFFFAOYSA-N 264.413 3.731 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2conc2CC)cc1 834407675 CMCGELBQLHZRGY-JXMROGBWSA-N 285.343 3.922 30 20 CHED CC(=NNc1nc(C)cc(C)n1)[C@H]1CCCC[C@H]1C 834913433 ZWIVCHXOVSNFNJ-YGRLFVJLSA-N 260.385 3.708 30 20 CHED N#CC1(c2ccc(-c3ccoc3)cc2)CCOCC1 592987740 ALUPXQKAQJZWFT-UHFFFAOYSA-N 253.301 3.518 30 20 CHED COc1cccc(O)c1/C=N\Cc1cccc(OC(C)C)c1 915981039 KBEKCSFLUSFWGP-UNOMPAQXSA-N 299.370 3.807 30 20 CHED C[C@H](C#N)OCCN1CC2(CCCC2)[C@H]1c1ccccc1 839127804 YMGLXGKMZQHMNK-NVXWUHKLSA-N 284.403 3.532 30 20 CHED O=C(C#Cc1ccccc1)Nc1ccc(Cl)cc1Cl 747348426 LEMMRCSOFDKVCL-UHFFFAOYSA-N 290.149 3.984 30 20 CHED O=[N+]([O-])c1ccccc1C=NNc1ccc(Cl)cc1 916246866 MMKYVBUVRIQKCH-UHFFFAOYSA-N 275.695 3.694 30 20 CHED C=C[C@H](C)ONC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 846545386 NWBYVERUYJPNDT-AFAVFJNCSA-N 281.355 3.566 30 20 CHED C[C@@H](C=NNc1nccnc1Cl)CCc1ccccc1 749163882 BGNVKSHKTIEDKX-GFCCVEGCSA-N 288.782 3.797 30 20 CHED N#Cc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1 593955098 XXLDFQMSKKQUBT-SFHVURJKSA-N 279.339 3.531 30 20 CHED C=CCc1ccc(OC(=O)[C@H](C)c2ccco2)c(OC)c1 741520148 FCNGRFAZSDNDIK-GFCCVEGCSA-N 286.327 3.726 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](OC2CCC2)C1 594026131 DHRRWUWPHSJEOM-KDOFPFPSSA-N 284.403 3.653 30 20 CHED CC[C@@H](C)c1ccc(C(=O)NCC2(C#N)CCC2)cc1 841467720 VVGPAAIQSMJXME-CYBMUJFWSA-N 270.376 3.624 30 20 CHED N#CCC1(COc2ccc(-c3ccccc3)nc2)CC1 596265992 XCEDUKJPLLSHGN-UHFFFAOYSA-N 264.328 3.821 30 20 CHED N#C[C@H](Sc1nc2cc(F)ccc2s1)C1CC1 918872888 YPXIYXIJKUBKEV-NSHDSACASA-N 264.350 3.830 30 20 CHED C=CCCCCNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 681146521 VYYODHXAUFXTBQ-HIFRSBDPSA-N 275.392 3.808 30 20 CHED C[C@@H]1SCC[C@H]1N[C@H]1CCCCc2cc(C#N)ccc21 592400503 UXEVREXUOUZVMQ-VUCTXSBTSA-N 286.444 3.809 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)CCCCCC#N 590077770 LUIAUONHNIUYSR-UHFFFAOYSA-N 252.402 3.649 30 20 CHED Clc1cccc([C@H]2CCCC(=NN[C@@H]3CCOC3)C2)c1 841635741 OZXOZYSFZQDWQC-XJKSGUPXSA-N 292.810 3.732 30 20 CHED C=CCCCCNC(=O)NCCC[C@@H]1CC1(Cl)Cl 845124611 OLWWLFQYPTVOOA-LLVKDONJSA-N 293.238 3.616 30 20 CHED CCCCCCCCCNC(=O)c1cnccc1C 742043928 OOKPHWOFAHUSJK-UHFFFAOYSA-N 262.397 3.870 30 20 CHED C=CCOc1ccc(OC(=O)CC2CCCC2)cc1 742863447 SWDZFBLYFWJNHA-UHFFFAOYSA-N 260.333 3.737 30 20 CHED CCn1c(C)cc(C=NNc2cc(F)c(F)c(F)c2)c1C 747641673 CZKJFMOPGBLUEE-UHFFFAOYSA-N 295.308 3.988 30 20 CHED C#CC[C@@H](OC(=O)Cc1c[nH]c2c(C)cccc12)C(C)C 747193281 YSRGTAJTDKRXSD-MRXNPFEDSA-N 283.371 3.610 30 20 CHED CCCC1(CNC(=O)CC2(C#N)CCCCC2)CC1 597375928 AISGTFVMSXXFAA-UHFFFAOYSA-N 262.397 3.547 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1ccc(C)c(C)c1 741767287 UJQNJJREZLRDNC-UHFFFAOYSA-N 288.782 3.891 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(O)c(C(C)C)c1 922380581 QNNZOUBXMUBWRO-QGZVFWFLSA-N 291.391 3.683 30 20 CHED CCCCCCCC(=O)OCc1cc(C2CC2)n[nH]1 848015455 LPMWIIUENJUBJN-UHFFFAOYSA-N 264.369 3.691 30 20 CHED N#CCc1ccc(COC(=O)c2cc(Cl)cs2)cc1 758754296 DHDCSEXMCMWMEH-UHFFFAOYSA-N 291.759 3.825 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](C)c1csc2ccccc12 753123562 ADJXBFAIAKVRGV-RYUDHWBXSA-N 286.400 3.673 30 20 CHED CCCCC1CCC(c2ncnc(C#N)c2F)CC1 1898217831 METRPIPDMOYNHZ-UHFFFAOYSA-N 261.344 3.951 30 20 CHED CCOc1ccc(/C=N\C[C@H]2CC=CCC2)c(O)c1 920990841 GAHBMSJTDDMYGA-IGWPVBGESA-N 259.349 3.566 30 20 CHED C=C(Cl)CSCC(=O)N[C@H](C)CCCCC 853784138 YIKIVRGJWJTFPH-LLVKDONJSA-N 263.834 3.557 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 757234205 LHANILBXPNZBEE-LLVKDONJSA-N 293.798 3.636 30 20 CHED Cc1csc([C@H](N[C@@H](C)CC(C)(C)C#N)C2CC2)n1 925145689 CCHDFJMPRHHOJW-GXFFZTMASA-N 277.437 3.821 30 20 CHED C#CC[C@H](NC(=O)N[C@H]1CCC[C@H]1CC)c1ccccc1 757041942 KVTJPASWDCUMRZ-PVAVHDDUSA-N 284.403 3.629 30 20 CHED COCc1ccccc1OC(=O)CC1(C#N)CCCCC1 851087463 ZUGHATFRSUUKNP-UHFFFAOYSA-N 287.359 3.603 30 20 CHED C=CCC1(C(=O)NCc2cc3c(s2)CCCC3)CCC1 682867438 SPTLXLSYHRTEKF-UHFFFAOYSA-N 289.444 3.990 30 20 CHED Cc1cc([C@@H](C#N)C(=O)C[C@H]2CCCCC2(C)C)nc(C)n1 752477680 KCSDTLMDYNASFR-HUUCEWRRSA-N 299.418 3.876 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCC[C@@H]1SCC)C(C)C 750674509 HGFIUFLZXIHMAS-KGLIPLIRSA-N 284.469 3.657 30 20 CHED C#Cc1cccc(NC(=O)c2cncc(-c3ccccc3)c2)c1 757559691 CQFJYLYARIPXSQ-UHFFFAOYSA-N 298.345 3.982 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2nc(S)[nH]c2c1 758612657 MUISOZYMAWYCLQ-UHFFFAOYSA-N 287.388 3.559 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@@H](C)C(C)(C)C2)c1 759933216 YWORTWIYMVHGGV-CYBMUJFWSA-N 270.376 3.568 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1nc2ccccc2n1C 921258339 QYGJOIXTMGBTBX-UHFFFAOYSA-N 290.370 3.644 30 20 CHED CCCC(CCC)C(=O)OCC(=O)c1ccc(C#N)cc1 753436875 BIWXIBRDTPONKN-UHFFFAOYSA-N 287.359 3.501 30 20 CHED C[C@@H]1CCCC[C@H]1CNc1snc(Cl)c1C#N 920337166 AXWJWWVPLBICJJ-BDAKNGLRSA-N 269.801 3.906 30 20 CHED FC(F)CON=Cc1ccc(OC(F)F)c(Cl)c1 758900176 QMARXKGDBRLIQQ-UHFFFAOYSA-N 285.624 3.557 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)c1cccc(C)c1 756901037 GRIGNXMTGIUYCE-UHFFFAOYSA-N 298.342 3.538 30 20 CHED C=CCCONC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 856032279 JLPZOTBOFOSNQG-AWEZNQCLSA-N 290.407 3.689 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C(C)(C)C)cc1 758496341 PMQAGZQYXWEAQK-UHFFFAOYSA-N 272.392 3.909 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc(C)sc2C)C1 1350388645 YCGGHLIVSNZJFI-CYBMUJFWSA-N 250.411 3.548 30 20 CHED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1O 757475545 SNVFHWRHZWESSY-OCMWXIPCSA-N 295.294 3.753 30 20 CHED CC[C@@H](C#N)OC(=O)CCc1ccc(C(C)(C)C)cc1 753414465 ZVVCKIDUQGTTKH-HNNXBMFYSA-N 273.376 3.762 30 20 CHED CC(Cc1cccc(F)c1)=NNc1ccc([N+](=O)[O-])cc1 759178683 BJRDSOWZKHASKF-UHFFFAOYSA-N 287.294 3.764 30 20 CHED C=CC[C@@H](NC(=O)N(CC)[C@@H](C)CC)c1ccncc1 853746201 GKSZRKXJXBUFNY-DZGCQCFKSA-N 275.396 3.529 30 20 CHED C#CCCCCNC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 758805619 QSEFDNZOZUHSNE-ZWKOTPCHSA-N 298.430 3.501 30 20 CHED CCCc1nc(C)c(CON=Cc2ccccc2C)o1 853641031 VUJMBQSAUYYVBE-UHFFFAOYSA-N 272.348 3.795 30 20 CHED Fc1ccc(NN=C[C@H]2CCC[C@H](C(F)(F)F)C2)nc1 853305127 PRTYETCPBNTEEE-UWVGGRQHSA-N 289.276 3.987 30 20 CHED CCCCCCCCNC(=O)N(CC)CC1CC1 755078071 MQLJWJHUGRXFHP-UHFFFAOYSA-N 254.418 3.788 30 20 CHED Fc1ccc(-c2nc(CON=CC3CC3)cs2)cc1 853734627 FNZNWKZYTHBMGX-UHFFFAOYSA-N 276.336 3.862 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@H](O)c1ccc2ccccc2c1 934750363 OWEDKIWBPAUVFF-KSSFIOAISA-N 297.398 3.592 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C1\CC[C@H](C)C1 753610394 MNALLZDBILAFAM-YEQVNJDRSA-N 262.397 3.521 30 20 CHED C#Cc1cccc(NC(=O)NCC2(CCC)CCC2)c1 758530667 UOQJTGPSHKHJEI-UHFFFAOYSA-N 270.376 3.760 30 20 CHED CC(C)(C#N)CNC(=O)Nc1cccc(OC(C)(C)C)c1 934049694 MRHUWRBMDAMOOA-UHFFFAOYSA-N 289.379 3.535 30 20 CHED Fc1ccccc1CCNN=Cc1cccc(Cl)c1 764721725 HSXJMUITUJINLC-UHFFFAOYSA-N 276.742 3.645 30 20 CHED O=C1/C(=C/c2cncs2)Cc2ccc(Cl)cc21 762446537 JIYCZLRNWIOBJW-RUDMXATFSA-N 261.733 3.619 30 20 CHED CC#CCCN(Cc1ccco1)c1ccc(OC)c(F)c1 764981994 YCKRTNRXNAXERQ-UHFFFAOYSA-N 287.334 3.847 30 20 CHED CC1(C)CCCC(=NNCc2ccc(C#N)cc2)C1 769822761 LRQGHNRQVOLHFP-UHFFFAOYSA-N 255.365 3.604 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1ccc(C(F)F)cc1 933101340 QNPPFJLOVSMYFG-CQSZACIVSA-N 266.291 3.548 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1c(F)cccc1Cl 769827177 QMMQQXJGLAQOSP-JTQLQIEISA-N 270.735 3.694 30 20 CHED CCC(C)(C)C(=O)OCc1ccccc1C(C)(C)C#N 768018821 VPGUWSHYIFEKTH-UHFFFAOYSA-N 273.376 3.967 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(OC(F)(F)F)c1 769999738 BRIUSKCMOHFDRX-DMDPSCGWSA-N 298.308 3.928 30 20 CHED C#CCCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 766896388 NKRIJKCDQRVDFW-BBRMVZONSA-N 257.377 3.781 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(Cl)cc1OC 860200600 WKBFENOBIFBHLY-UHFFFAOYSA-N 295.766 3.722 30 20 CHED C#C[C@@H](C)OC(=O)[C@H](CC)c1ccc(Br)cc1 860562027 XDETXDCRFQIYNF-ZWNOBZJWSA-N 295.176 3.508 30 20 CHED N#Cc1ccc(-c2nnc(CC3CCCCC3)o2)cc1 1117229253 SLJOBTZTCSXDTA-UHFFFAOYSA-N 267.332 3.731 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(CC)c2O)c1 769763162 UBYZLRRHGDDCSH-UHFFFAOYSA-N 293.366 3.603 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2ccccc2C2CC2)c1 766501365 FVGDCPRFRRNLGB-CMDGGOBGSA-N 296.322 3.840 30 20 CHED C#CCCCN[C@H]1CCCOc2c(Cl)cc(C)cc21 768513064 WDILDGSONBCIGW-HNNXBMFYSA-N 277.795 3.865 30 20 CHED Cc1cc(C#N)ccc1COc1c(C)ccnc1Cl 776745845 KURCIPQKJBIYRD-UHFFFAOYSA-N 272.735 3.803 30 20 CHED N#Cc1ccc(C(=O)OCc2ccccc2F)cc1Cl 777403097 RQWIGNXSCWVCMT-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CCCCCC[C@@H](C)NN=C(C)[C@H]1CCCOC1 779774905 OOHWKUKXZHQHQZ-HIFRSBDPSA-N 254.418 3.737 30 20 CHED C#CC[C@H](NCCOc1ccccc1F)c1ccccc1 775404470 OOQLSBAJBLYPPK-KRWDZBQOSA-N 283.346 3.559 30 20 CHED CCCCCOc1ccc(C(=O)OCC2(C#N)CC2)cc1 775826546 BZPWGOWBVRBDFP-UHFFFAOYSA-N 287.359 3.716 30 20 CHED C=CCN(CCc1ccco1)C(=O)C=C(C1CC1)C1CC1 778984493 DRKRBTCSYOQBIK-UHFFFAOYSA-N 285.387 3.583 30 20 CHED C[C@H]1CC[C@@H](C)[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 777126707 KCHHQJDLTZFDAI-RUZGCFLTSA-N 268.404 3.960 30 20 CHED Cc1coc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1C 1117135403 RFWRHQJPTSSXAT-LBPRGKRZSA-N 269.300 3.686 30 20 CHED C#CC[C@H](NCCCc1cccc(OC)c1)c1ccccc1 775401088 QEWKBECSHWWYBO-FQEVSTJZSA-N 293.410 3.982 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)[C@H]1CCC[C@@H](C)C1 1117852840 NJDCJVDAPXUAKM-WOPDTQHZSA-N 276.405 3.564 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)c1cc(Cl)c[nH]1 773116115 MZLLZMFWMXCNON-UHFFFAOYSA-N 294.137 3.530 30 20 CHED C=CCSc1ccccc1C(=O)OCc1ncc(C)o1 776887194 OMRIGPNRBMBFLK-UHFFFAOYSA-N 289.356 3.618 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 880319026 RVJOFNZBBIIHLZ-MRXNPFEDSA-N 282.387 3.654 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cc(-c2ccccc2)on1 776016610 SGKBZVIHGRYXEL-AWEZNQCLSA-N 298.386 3.745 30 20 CHED Cc1cccc([C@H](C)C(=O)OCCC(C)(C)C#N)c1 776385485 GCQCLJSFUHRYTJ-ZDUSSCGKSA-N 259.349 3.582 30 20 CHED CC[C@@H](C#N)Sc1nc2cccc(F)c2s1 882346992 XTENNCDPAVQIOV-ZETCQYMHSA-N 252.339 3.830 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C)cnc1Cl 889453774 YZDOQQPHUNJUOR-UHFFFAOYSA-N 293.798 3.636 30 20 CHED CCN(Cc1csc(C2CCCC2)n1)C[C@H](C)C#N 63994903 CFGVDMQAFVHXNN-GFCCVEGCSA-N 277.437 3.782 30 20 CHED COc1ccc2cc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc2c1 1122636938 KNKXLOFXMIMHQC-LBPRGKRZSA-N 297.354 3.943 30 20 CHED CCC(=NNc1ncncc1Cl)c1ccc(CC)cc1 780282067 BFFJLNNRIAWHAM-UHFFFAOYSA-N 288.782 3.919 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1scnc1C1CC1)C2 782340921 HDBXIIGTXUTFMS-GHXNOFRVSA-N 297.379 3.852 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1conc1C 888745549 UYVNHJYWMXYBQL-UHFFFAOYSA-N 277.368 3.583 30 20 CHED Cc1ncoc1CNc1ccc(OC(C)(C)C)c(C#N)c1 894888841 JDNSUZMMMMEXSB-UHFFFAOYSA-N 285.347 3.644 30 20 CHED CCC(=NOC[C@H]1CCOC1)c1cccc(Cl)c1F 788036898 OVNMVGUBBNQPOE-JTQLQIEISA-N 285.746 3.646 30 20 CHED C[C@H]1CCC[C@@H](C(=O)OCCCC(C)(C)C#N)C1 783854719 JKDKFHAMOHVXBU-QWHCGFSZSA-N 251.370 3.686 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(Cl)ccc1O 785617302 KXTKZJYBMJJVJP-INIZCTEOSA-N 298.773 3.694 30 20 CHED CC(=NNC1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788438890 NRJOFFMHCHYUDZ-VHSXEESVSA-N 254.786 3.633 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C/c1ccc[nH]1 783627733 HYYSIIABQRKTSP-ZHACJKMWSA-N 272.392 3.623 30 20 CHED O=C(/C=C\c1cc(F)cc(Cl)c1)c1cncs1 787170956 DYKXCBFSWOFVDR-UPHRSURJSA-N 267.712 3.832 30 20 CHED CC1(C)CCC[C@@H](C=NNc2ncncc2Cl)C1 780283424 WCPOPNUWWAIIPI-SNVBAGLBSA-N 266.776 3.744 30 20 CHED COc1cccc(NN=Cc2ccc3nc(C)ccc3c2)c1 783514645 QXYYHTRSYPLDIC-UHFFFAOYSA-N 291.354 3.998 30 20 CHED C=CC[C@H](N[C@H](C)CSCCC)c1ccncc1 892973648 UFSBDQBBKACNNI-HIFRSBDPSA-N 264.438 3.820 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(Cl)cc2F)s1 781182296 JLAFWFHICAQGLX-UHFFFAOYSA-N 295.722 3.769 30 20 CHED N#Cc1cc(CNc2cc(F)cc(F)c2)ccc1F 83451360 HSMXEQOCJXFWNJ-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=CCC1(C(=O)OCC(=O)C2(c3ccccc3)CC2)CCC1 795623995 XACXBQNACLPWPG-UHFFFAOYSA-N 298.382 3.577 30 20 CHED C=C(C)COc1cccc(NC2C[C@@H]3CC[C@H](C2)N3C)c1 892365602 QRLRWCKCAGMFJN-ALOPSCKCSA-N 286.419 3.679 30 20 CHED CN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CCC(C)(C)C1 794269202 FCEBEAQDZLUVSM-QWGSZXSUSA-N 282.387 3.609 30 20 CHED N#CCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 185947069 DYTVLNISVIBJTC-GFCCVEGCSA-N 283.158 3.571 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc(Cl)cc1 798375563 KEBJNTNFSUTBHH-NSHDSACASA-N 268.813 3.981 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@H]1CCO[C@H]1C 793429041 LGPFCUJDUGEUCP-QWHCGFSZSA-N 292.400 3.547 30 20 CHED CCC1(CC)CCCN(C(=O)C2(C#N)CCCC2)CC1 188870475 XWYNZMAQTQBLEX-UHFFFAOYSA-N 276.424 3.889 30 20 CHED CC(COC(C)C)=NNc1nccc2sccc12 799876211 MNEQBOLCNOCYKQ-UHFFFAOYSA-N 263.366 3.509 30 20 CHED C#C[C@@H](CCC)NC(=O)CCCCCc1cccs1 791200250 PHKPYAYJAURATH-AWEZNQCLSA-N 277.433 3.769 30 20 CHED CCC(CC)OC(=O)C[C@H](CC#N)c1ccccc1 795981563 NOJRLNIXUWCMNV-AWEZNQCLSA-N 259.349 3.806 30 20 CHED COc1cc(F)cc(NN=C2CCCC23CCOCC3)c1 799880493 CRMVRQLDICFMQK-UHFFFAOYSA-N 292.354 3.583 30 20 CHED CCCCCC[C@H](C)NN=C(C)c1cc(C)on1 790298006 VKTZABYDTWNCBO-NSHDSACASA-N 251.374 3.656 30 20 CHED CC(C)[C@H]1CCCC(=NNc2ncccc2[N+](=O)[O-])C1 794519328 AWGJWCWLMGPCNO-NSHDSACASA-N 276.340 3.604 30 20 CHED CC(C)(C)c1ccc(C=NOC[C@H]2CCCO2)cc1 795197665 RYDNJESODMYPRA-OAHLLOKOSA-N 261.365 3.514 30 20 CHED CC(=NNc1ncccc1C)[C@@H](C)c1ccccc1 790185692 KTBPIIBVSDNIEW-CYBMUJFWSA-N 253.349 3.982 30 20 CHED CC(=NOCc1ccccc1)c1c(C)cc(C)cc1O 799874239 CJZQVDJUHMKNRG-UHFFFAOYSA-N 269.344 3.950 30 20 CHED C=C(Cl)CNC(=O)CCCc1ccc(CCC)cc1 1147304983 VHNQCLKRZCYENG-UHFFFAOYSA-N 279.811 3.831 30 20 CHED Cc1nc(Cl)cc(NN=CCc2cccc(Cl)c2)n1 794911461 GMPNTGUVZNCICW-UHFFFAOYSA-N 295.173 3.732 30 20 CHED C#CCN(C(=O)N[C@@H]1CCCC[C@H]1C)C1CCCCC1 744810684 VTXMUQOENIDUFW-GDBMZVCRSA-N 276.424 3.543 30 20 CHED C#C[C@H](/N=C\c1ccccc1O)c1ccc(Cl)cc1F 794675522 CUVVTTBPNZCZSB-HNIBHBHRSA-N 287.721 3.978 30 20 CHED C[C@H](NN=C1CCC(C(=O)OC(C)(C)C)CC1)C(C)(C)C 793115060 PBQVBWIUHKFRLM-UEWDXFNNSA-N 296.455 3.899 30 20 CHED N#CC[C@@H](CC(=O)OCc1ccsc1)c1ccccc1 796729689 COBMFHSOJHWVKE-HNNXBMFYSA-N 285.368 3.879 30 20 CHED N#CCN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCCC1 78003020 VZNUGGDNFUZGOC-UHFFFAOYSA-N 297.185 3.902 30 20 CHED CC1(C)CCCN(C(=O)C2CCCCCCC2)[C@@H]1C#N 765169892 MSBBYOSDJYSZBX-OAHLLOKOSA-N 276.424 3.888 30 20 CHED C[C@@H](c1nccc2ccccc12)N(CCC#N)CC1CC1 1308590011 ZQMRRHZHHNOGJE-AWEZNQCLSA-N 279.387 3.921 30 20 CHED CCC(CC)CN(CC)Cc1ccc(C#N)cc1OC 1166997500 SZSCVVDLDUPHPA-UHFFFAOYSA-N 274.408 3.825 30 20 CHED CCN(Cc1ccccc1F)C(=O)c1cccc(CC#N)c1 1317853980 ZDYKXSKQYAAUGR-UHFFFAOYSA-N 296.345 3.554 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)[C@@H]1CCCO1 1320307528 FGGLNLFERJUMHD-ZDUSSCGKSA-N 252.745 3.615 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](SC)C1 1328050808 MTYXHKYZHWXHSN-ZDUSSCGKSA-N 257.443 3.701 30 20 CHED C=CCOc1cccc(CNc2ccc(C(C)(C)C)nn2)c1 1321146871 TTXYEMSDJWOZLV-UHFFFAOYSA-N 297.402 3.951 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H](C)n1ccnc1 1320179631 SJMJQFLZNYINFW-GJZGRUSLSA-N 279.428 3.557 30 20 CHED Cc1nc(C(=O)OCC2CCC(C)(C)CC2)ccc1C#N 1323451291 DVMOFTVINOXLSQ-UHFFFAOYSA-N 286.375 3.635 30 20 CHED CCC[C@H]1CCCC[C@H]1CNCc1cccc(C#N)n1 1182370839 WQSOIZOVYBPUPE-GJZGRUSLSA-N 271.408 3.649 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1ccccc1 1339999198 RPOGBNHSESFZMI-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED C=C(C)CCC(=O)N1CCc2cc(Cl)ccc2C1 1338070698 YXFPWDHBGYERRE-UHFFFAOYSA-N 263.768 3.581 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc(C)c(C)cc1Cl 1339196248 MPOOYVKERTYYKC-GFCCVEGCSA-N 278.783 3.721 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H](C)c1c(C)noc1C 1337489288 SKLJHQQRHMQBDJ-SWLSCSKDSA-N 290.407 3.742 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 1254404143 RZJBKZLWWVKIIY-HOCLYGCPSA-N 283.419 3.623 30 20 CHED CC(C)CNN=C[C@@H]1CCC[C@H](C(F)(F)F)C1 1330648184 GIYNFPLFYSLMQZ-MNOVXSKESA-N 250.308 3.587 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(OCC(=C)Cl)cc1 1338111493 CKMQXJISBLXDMM-UKRRQHHQSA-N 295.810 3.670 30 20 CHED CC(C)[C@H]1CN(Cc2cc(C#N)ccn2)c2ccccc21 1193996418 AZJJAYTWWQLBNO-QGZVFWFLSA-N 277.371 3.713 30 20 CHED C[C@H](CC(=O)N[C@@H](C#N)C1CCCC1)c1cccc(F)c1 1335109025 BRZXQHLCJGQWRA-WBMJQRKESA-N 288.366 3.518 30 20 CHED N#C[C@@H]1CCCN(c2c(F)cccc2C(F)(F)F)C1 1262373777 KMMUBNHGTGGGES-VIFPVBQESA-N 272.245 3.584 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 1348195324 MPDHYXQQCLZAAQ-LBPRGKRZSA-N 296.330 3.651 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)c(Cl)c1 1275425311 GQTHKHLQXOQVHI-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)C2CCCC2)c1 1275796869 KPFFPRQXGBEUIM-GFCCVEGCSA-N 256.349 3.632 30 20 CHED CCc1ccccc1NCc1cccc(C#N)c1F 223727944 KZJQSQWGZWZAJY-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C=CCSCCN[C@H](CCC)c1cccc([N+](=O)[O-])c1 221936403 XCXNTMAEAYDWBH-OAHLLOKOSA-N 294.420 3.945 30 20 CHED CCCC[C@H](CCC)Nc1ccc(C(=O)OC)nc1C#N 1458233717 ONCUHZORMCHETK-LBPRGKRZSA-N 289.379 3.511 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(C#N)ccc1F 1535455774 UIMGUBSUCWNBPB-YPMHNXCESA-N 274.339 3.852 30 20 CHED C=C[C@H](Nc1ccc(SC2CCCC2)cc1)C(=O)O 1602820890 PVOBVLKKGGSKTA-AWEZNQCLSA-N 277.389 3.772 30 20 CHED COc1nccc2c(NCc3cc(C#N)cs3)cccc12 1461844464 OUTCSZQPPPDHSA-UHFFFAOYSA-N 295.367 3.789 30 20 CHED CC1(C)CCC(CNC(=O)Nc2cccc(C#N)c2)CC1 1475917381 YKFPTLPNDLPFHU-UHFFFAOYSA-N 285.391 3.896 30 20 CHED CC(C)CCN(CCC#N)C(=O)OCC1CCCCC1 1621764796 YGGWIUMQDOTDJN-UHFFFAOYSA-N 280.412 3.965 30 20 CHED Cc1ccc(C(C)(C)CNc2ccc(C#N)c(C)n2)cc1 1611942319 BFYCXAFOKRIAHN-UHFFFAOYSA-N 279.387 3.960 30 20 CHED CCC(C)(C)Nc1ccc(C#N)c(Br)c1 228172860 YQEUYSISTZIWCL-UHFFFAOYSA-N 267.170 3.921 30 20 CHED CC(C)Oc1cccc(NC(=O)c2ccccc2CC#N)c1 1556704741 VCYVLBAGMGRHPW-UHFFFAOYSA-N 294.354 3.792 30 20 CHED COc1cccc(Cl)c1CNc1cc(C)c(C#N)cn1 1559166138 YOWRMGIMUXUPDS-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C[C@@H]1CCC[C@H](CNCc2cccc(F)c2C#N)[C@@H]1C 1560786735 AMLYATWNILMOGZ-MGPQQGTHSA-N 274.383 3.859 30 20 CHED N#CCC1CCN(CCCOc2ccc(Cl)cc2)CC1 260357894 CHNVGNJTMHIZJI-UHFFFAOYSA-N 292.810 3.735 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]2c2ccccc2F)ccc1Cl 1640012442 UKARCQLDGHYYIC-GXFFZTMASA-N 287.725 3.714 30 20 CHED CCCC[C@@H](CC)CCCN(C)c1cncc(C#N)n1 1642958494 QGUQNDKUYJBZLF-CQSZACIVSA-N 274.412 3.781 30 20 CHED C[C@H]1Cc2cc(Nc3cccc(F)c3C#N)ccc2O1 1640481784 XNDDECUGHCWXRA-JTQLQIEISA-N 268.291 3.764 30 20 CHED Cc1cc(Sc2nccc(C(F)(F)F)n2)ccc1C#N 1651969848 OUJYWDIRRNTHCT-UHFFFAOYSA-N 295.289 3.827 30 20 CHED N#Cc1cc(F)ccc1CSCc1ccncc1 1652237488 PGQWAYOIJJKZND-UHFFFAOYSA-N 258.321 3.526 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(C)c(C)c1C(=O)O 1588606007 UFGGTAVBMOTHAO-UHFFFAOYSA-N 275.348 3.542 30 20 CHED N#Cc1cccc(Oc2ccnc(Nc3ccccc3)n2)c1 1651298047 KLBRMDJRJBWKNS-UHFFFAOYSA-N 288.310 3.884 30 20 CHED C=C(C)CCCC(=O)Nc1ccc(SC)c(C(=O)O)c1 1776138385 YTEMSQFGOVHAPP-UHFFFAOYSA-N 293.388 3.792 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CCC2CCCCCC2)C1 1776160478 HKWPLARXKMIVQR-KRWDZBQOSA-N 279.424 3.700 30 20 CHED C=C(C)CON=C(C)c1sc2ccccc2c1C(=O)O 1776090440 JGCFPPOCUIPDKP-UHFFFAOYSA-N 289.356 3.916 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2F)o1 1776966011 ONWSBDXNUZVGMX-VURMDHGXSA-N 288.274 3.575 30 20 CHED Cc1cc(C)c(C#N)c(SCCOc2ccccc2)n1 13212350 KEXLGFWFQGCMPS-UHFFFAOYSA-N 284.384 3.741 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1[C@H]1CCCC1=O 124563477 SJIKVMQJKRWVAW-CABCVRRESA-N 279.424 3.707 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1sccc1C#N 161128796 ADEJIEAWGKUEAO-DGCLKSJQSA-N 276.405 3.661 30 20 CHED N#Cc1ccc(SCCCc2cn[nH]c2)c(Cl)c1 163313978 RDAINBNTHBPSGU-UHFFFAOYSA-N 277.780 3.660 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)c2c(C)noc2C)cc1 168189843 NEYNGWAGSLDLBH-OLZOCXBDSA-N 298.386 3.715 30 20 CHED C=CCC[C@H](NC(=O)Nc1nocc1C)c1ccccc1 159664940 HGDWJBJWTAMOKY-AWEZNQCLSA-N 285.347 3.812 30 20 CHED N#CCCCOc1cccc(NC(=O)/C=C\c2ccco2)c1 208518990 ZYAIAOOVQOWLTJ-HJWRWDBZSA-N 296.326 3.614 30 20 CHED N#CCCN(CC[C@H]1CC1(Cl)Cl)Cc1ccco1 822663946 JMLKNBQZAACKTH-NSHDSACASA-N 287.190 3.579 30 20 CHED C=CCC[C@@H](C)Nc1cccc(-c2n[nH]c(C)n2)c1 130620845 XXDQKCMPXNLZLO-LLVKDONJSA-N 256.353 3.547 30 20 CHED CCN(Cc1ccccn1)Cc1ccc(C#N)cc1Cl 162923683 FMNPZDBPSYFRCH-UHFFFAOYSA-N 285.778 3.629 30 20 CHED CCN(Cc1cc(C#N)ccc1F)c1ccccc1F 50011874 RXPGOYBSEUWEBF-UHFFFAOYSA-N 272.298 3.863 30 20 CHED CCc1ccc([C@@H](C)NC(=O)C2(C#N)CCCC2)cc1 52738669 SUVWLDLLZLJDGD-CYBMUJFWSA-N 270.376 3.510 30 20 CHED C[C@H](CNc1cccc(F)c1C#N)N(C)Cc1ccccc1 301273000 RFFIPVWSTLNGCE-CQSZACIVSA-N 297.377 3.630 30 20 CHED COCc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1 194654993 VHATURAPCGRRJB-ZDUSSCGKSA-N 266.344 3.878 30 20 CHED C=C(C)CN(CC)CCOc1cccc(Br)c1 71805260 HCFSGIODSGFMMV-UHFFFAOYSA-N 298.224 3.726 30 20 CHED CCO[C@@H]1C[C@H](Nc2cc(C)cc(C#N)c2)C12CCC2 308124896 YICRHZATVLMCPM-JKSUJKDBSA-N 270.376 3.626 30 20 CHED C=C[C@@H](CO)N[C@@H](CC)c1ccc(Cl)cc1Cl 353565896 LHEVZXURMVIORT-GWCFXTLKSA-N 274.191 3.581 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(C)c2F)C1 617782824 NDZFIWAFHCYMQB-ZDUSSCGKSA-N 261.340 3.562 30 20 CHED C=CCC[C@@H](C)N[C@H]1CCOC2(CCCCC2)C1 544591568 IAZHEDCSCAFNQZ-CABCVRRESA-N 251.414 3.813 30 20 CHED Cc1cc(N2CC[C@@H](C3CCCCC3)C2)c(C#N)cn1 708821965 MTTTWGFGVCDCGE-OAHLLOKOSA-N 269.392 3.668 30 20 CHED N#Cc1c(F)cccc1OC[C@@H]1CCCC1(F)F 381562900 WQYJKBFMEJDIQD-VIFPVBQESA-N 255.239 3.512 30 20 CHED CC(C)CC(C)(C)CNCc1ccc(C#N)cc1F 391156373 ZCQWFTBNYZXLHK-UHFFFAOYSA-N 262.372 3.859 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C(F)(F)CC 834769231 PMIMJEINLRPHTH-UHFFFAOYSA-N 267.319 3.637 30 20 CHED CC(C)ON=CC(C)(C)CN(C)Cc1ccccc1 835000399 NFWPTRILWJSANJ-UHFFFAOYSA-N 262.397 3.555 30 20 CHED CC[C@@H](CNC(=O)c1sccc1C#N)c1ccccc1 52029017 PWRQVDOEZMPEBR-LBPRGKRZSA-N 284.384 3.543 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCc1cccc(Cl)c1 58453681 ROVXGVHKMPIZNE-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C#CCCCNC(=O)c1sc(-c2ccccc2)cc1OC 172939120 CTPWTQKGVWXJCI-UHFFFAOYSA-N 299.395 3.567 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1F 57645230 LNVWVGFMGPCAMN-FNORWQNLSA-N 274.266 3.870 30 20 CHED CCCO[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 118398930 HBOZKAYRFZJDBY-YJBOKZPZSA-N 286.419 3.900 30 20 CHED C[C@H](CC(=O)N(CCC#N)CC1CC1)C1CCCCC1 103437641 HNKKOGAMMXPZMW-CQSZACIVSA-N 276.424 3.745 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(F)cc1OC(F)F 119361996 BLAQXRWBAQEIIE-BDAKNGLRSA-N 259.271 3.652 30 20 CHED CCOc1ccccc1C(=O)Nc1cc(C#N)ccc1C 50212875 LSXFDOCVDOSJDO-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CC(F)(F)F)cc1 66397383 FTWUZNDBAZOEGH-LBPRGKRZSA-N 298.308 3.617 30 20 CHED N#Cc1ccccc1NC(=O)c1cc2cc(F)ccc2o1 117566318 JHKYKCKSULOTQE-UHFFFAOYSA-N 280.258 3.696 30 20 CHED CCCCOc1ccc(/C=C/C(=O)c2cnccn2)cc1 115962696 GQSLANWRVJYSIC-RMKNXTFCSA-N 282.343 3.552 30 20 CHED C=CCN(C(=O)Cc1cccc(C)c1)c1ccccc1 303127277 JPTFWCBMNGFEBC-UHFFFAOYSA-N 265.356 3.757 30 20 CHED CC(C)(C#N)CCCSc1nnc(C2CC2)s1 177326986 WDQIBHXTUGTDBD-UHFFFAOYSA-N 267.423 3.838 30 20 CHED C#CCCCNC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 177108977 PHUDFDDLJPQEFS-CQSZACIVSA-N 297.320 3.729 30 20 CHED C#Cc1cccc(NC(=O)C2(c3ccccc3C)CC2)c1 170702072 SLZWZVCCZJGSKE-UHFFFAOYSA-N 275.351 3.647 30 20 CHED C#CCCCCC(=O)Nc1ccc(OCCC)cc1C 119673593 NZNSSTCNIXYSIM-UHFFFAOYSA-N 273.376 3.916 30 20 CHED CCc1ccccc1C(=O)N[C@H](C#N)c1ccccc1Cl 179546590 XUWJFEPZLAKGAD-MRXNPFEDSA-N 298.773 3.897 30 20 CHED C=CCCCN1CCC(c2nc(-c3ccccc3)no2)CC1 117879301 UNBYUFMUBIIQJK-UHFFFAOYSA-N 297.402 3.882 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2c2ccc(Cl)cc2)n1 178322900 NVYVOHCBSPUYBS-OAHLLOKOSA-N 283.762 3.948 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 177869267 CBVMLJHVYPTSDK-NEPJUHHUSA-N 281.396 3.701 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1sccc1C#N 114222028 SHKUMQKMFVINIA-JTQLQIEISA-N 262.378 3.775 30 20 CHED COc1cccc(/C=C/C(=O)c2ccco2)c1OC(C)C 118988550 HYUXUOLBPAOXAN-MDZDMXLPSA-N 286.327 3.972 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)Cc2cccc3ccccc23)C1 179949637 AGPVFGVBBOYKHN-BBRMVZONSA-N 279.339 3.618 30 20 CHED C=C(C)CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 409958898 SYLMXDBZBCBGKA-JTQLQIEISA-N 271.282 3.501 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C#N)cs2)c(F)c1 176838868 ZSGOOQMHPSMFSY-HWKANZROSA-N 287.315 3.664 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21 301674633 BMUFWMVLHXBOSM-DDUZABMNSA-N 278.330 3.695 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 172320910 BLKCJVHXYYRIBB-VIFPVBQESA-N 290.344 3.504 30 20 CHED CCN(CCC#N)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 127641436 LJHUCZYTGNJJCB-UHFFFAOYSA-N 299.330 3.590 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1cccc(Cl)c1 122212779 LGHLTKVRBWJXOI-ZDUSSCGKSA-N 250.773 3.930 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2ccc(F)cc2F)c1 124684517 HOZALLNHMXSWMN-UHFFFAOYSA-N 299.320 3.542 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCc2ccccc21 69607176 QTDQWBBTFAZDHU-INIZCTEOSA-N 291.354 3.676 30 20 CHED CCOc1ccc(CN(CCC#N)CC(C)(C)C)cc1 353419326 LJIKGJFDXVQFJI-UHFFFAOYSA-N 274.408 3.847 30 20 CHED C=CCCCOC(=O)CCc1ccc(Cl)s1 303727842 UGXCZAZVLJFWOM-UHFFFAOYSA-N 258.770 3.844 30 20 CHED C=C(C)CN(CC)C(=O)c1c(C)nn(-c2ccccc2)c1C 60783740 RBFSBYRKHNFFRL-UHFFFAOYSA-N 297.402 3.527 30 20 CHED COc1cc(C(=O)/C=C/c2cccc(C)c2)c(OC)cc1O 122504418 UXKWJYNKKFIJQC-BQYQJAHWSA-N 298.338 3.614 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCc2ccc(Cl)cc2)C1 185822621 JPTKQXATTYXEKQ-GDBMZVCRSA-N 276.811 3.945 30 20 CHED N#CCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 186630715 WLXWAXIWXCGHIN-AWEZNQCLSA-N 276.767 3.697 30 20 CHED C=CCC[C@@H](NC(=O)OCC1CC1)c1ccccc1 189748754 MJMBPKKUOIHHTH-OAHLLOKOSA-N 259.349 3.830 30 20 CHED CC(C)CN1CCC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 182045667 SLYBXCWGTJQQCV-WMZOPIPTSA-N 299.462 3.577 30 20 CHED CCCNC(=O)CCCS[C@@H](C)c1cccc(C#N)c1 419468033 ULQXGCDLODWCID-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED Cc1cccc(CNc2ccccc2O[C@@H](C)C#N)c1O 180834809 BDVOZXBKLDVPST-ZDUSSCGKSA-N 282.343 3.604 30 20 CHED N#Cc1cccc(CSCc2nnc(C3CC3)s2)c1 419599392 TZACCZNSFUOSGV-UHFFFAOYSA-N 287.413 3.721 30 20 CHED Cc1nc(CC(C)C)c(NC(=O)c2ccc(C#N)cc2)s1 127436548 GDAPICNKFKESET-UHFFFAOYSA-N 299.399 3.774 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1ccccc1OC 185449087 ZPKZOORXOAODRP-INIZCTEOSA-N 285.387 3.552 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccccc1 121709926 JAGBEFFUKONZMI-BZUAXINKSA-N 271.404 3.851 30 20 CHED C#C[C@H](NC(=O)c1c(Cl)cc(F)cc1Cl)C(C)C 282261712 WBVMZTPKBUVCAJ-NSHDSACASA-N 288.149 3.520 30 20 CHED Cc1ccccc1C(NCC#N)c1ccccc1C 183927135 JUCXTNNSCSPNSD-UHFFFAOYSA-N 250.345 3.506 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(NC(=O)OC)cc1 124390018 WRCKPYOINXYOPW-UHFFFAOYSA-N 289.331 3.539 30 20 CHED CC[C@@H](C)CN1CC=C(c2ccc(C#N)cc2)CC1 502526406 BAHKSQUIGNDACB-CQSZACIVSA-N 254.377 3.693 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 507179061 GTSPEWQYSQXELB-MRXNPFEDSA-N 294.373 3.995 30 20 CHED C#CCN(C(=O)CCCC(F)(F)F)C1CCCCC1 490897430 BOXSYWZGPPKEIN-UHFFFAOYSA-N 275.314 3.514 30 20 CHED C=CCC1(C(=O)NCc2ccc(C)cc2C)CCC1 188141248 ZIFUIDNGDWCAIV-UHFFFAOYSA-N 257.377 3.666 30 20 CHED CCN(CCC#N)Cc1cc2cc(C)c(C)cc2o1 127646796 WUQALMBGDFFVTA-UHFFFAOYSA-N 256.349 3.785 30 20 CHED C[C@@H](CCC#N)N1CCC(c2ncccc2Cl)CC1 411634481 UWGZBVCSWOMHAD-LBPRGKRZSA-N 277.799 3.607 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc2ccc(C)nc12 181706492 IDWPRMKIGQQJGK-UHFFFAOYSA-N 269.348 3.583 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc2c1CN(CC(C)C)C2 184747255 WQPIBWLSYMKZMA-UHFFFAOYSA-N 298.430 3.646 30 20 CHED C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(F)c1F 181959441 GOOLWTXZAOVDMX-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=CCSCCNC(=O)[C@@H](C)CC1CCCCC1 508893482 JMVVLZWSDDLPMM-ZDUSSCGKSA-N 269.454 3.628 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)CCCC#N 76732853 LJYZODKGNHKTDJ-GFCCVEGCSA-N 250.773 3.507 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H]1C=CCC1 412843796 SRTAQVNCMNUGPS-IRXDYDNUSA-N 269.388 3.646 30 20 CHED C=CC[C@H](Cc1ccccc1)NC1CCN(CCC)CC1 414294817 DXIJIEVFDAVBBO-LJQANCHMSA-N 286.463 3.638 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@H]1CCc2ccccc2C1 410482837 IVSJEPKVPYRNHW-INIZCTEOSA-N 271.404 3.605 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cc(CC)ccn1 180043787 QLOHQLCPEGCGMN-UHFFFAOYSA-N 298.361 3.612 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cncs1 414291110 ASFSLYKDJWMQTL-DZGCQCFKSA-N 272.417 3.981 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)OC1CCCCCC1 410124461 WOFMSAWJGAYRON-KBPBESRZSA-N 267.413 3.585 30 20 CHED CCCCCN(CCCOC)Cc1cc(C#N)cs1 180877836 KZRMDXCXJMNLKL-UHFFFAOYSA-N 280.437 3.648 30 20 CHED C/C=C(/C)C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 133691470 ODDNUODOHGSPKK-DXNYSGJVSA-N 286.419 3.664 30 20 CHED CCCOc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1 47967538 YYFICEUCMZWINT-UHFFFAOYSA-N 295.342 3.991 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1csc(C(C)(C)C)n1 48056828 LJXOTBXLTXBOCQ-UHFFFAOYSA-N 299.443 3.944 30 20 CHED C=C(C)CN(CC)Cc1cc2cc(OC)ccc2o1 505902657 ISUFVGLEKIALHF-UHFFFAOYSA-N 259.349 3.839 30 20 CHED N#Cc1cc(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1F 328855320 CPZMQQHAJUNABS-YWPYICTPSA-N 286.350 3.971 30 20 CHED CCC1CCN(c2ccc(C#N)c(Br)c2)CC1 228179873 LOWWLEJRPZVXIS-UHFFFAOYSA-N 293.208 3.947 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@@H](C)CC(C)(C)C 130205228 VIKCFJQDASZZJV-GFCCVEGCSA-N 288.391 3.968 30 20 CHED Cc1noc(C)c1C[C@H](C)/N=C(/O)[C@H]1CC12CCCC2 329925690 KBQPWNJNLOQXJZ-IINYFYTJSA-N 276.380 3.759 30 20 CHED C#CCOc1ccc(F)cc1NCc1nc(C)c(C)s1 88534051 YVXSEGJMCCPBNE-UHFFFAOYSA-N 290.363 3.523 30 20 CHED C=C[C@H](C)N[C@H](CC)c1cc(Br)ccc1O 139192040 VGGUKQKLGRRYIB-JOYOIKCWSA-N 284.197 3.770 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc2[nH]ccc12 80642989 XUWDOVZSBAHNKJ-UHFFFAOYSA-N 283.375 3.570 30 20 CHED CCn1cc(C(=O)/C=C/c2c(C)oc3ccccc23)cn1 134395061 NVDOGCXFYOIXFD-CMDGGOBGSA-N 280.327 3.854 30 20 CHED C[C@H](C#N)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 428629666 VQNZZWRPDYSZJW-FZKQIMNGSA-N 290.366 3.617 30 20 CHED Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)c(C)c1 82271801 LAUKITFMUSWSBB-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#C[C@@H]1CC[C@H](NCc2csc(-c3ccsc3)n2)C1 424199828 QJLOFFWOOGKCSZ-PWSUYJOCSA-N 289.429 3.653 30 20 CHED CC(C)(O)CCOc1ccc(Oc2ccc(C#N)cc2)cc1 85266915 FZYPBDNHBLGRIV-UHFFFAOYSA-N 297.354 3.890 30 20 CHED CC(C)CN(CCC#N)Cc1cccc(Cl)c1 49800733 PKHHIRXPOWLBHL-UHFFFAOYSA-N 250.773 3.712 30 20 CHED CCCCCCCS(=O)(=O)c1ccccc1C 137714324 HKIVEPCMZPGONV-UHFFFAOYSA-N 254.395 3.739 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1/N=C(/O)[C@H]1CCCC(O)=N1 328822494 RMNRNWYSLSVMFJ-SYQHCUMBSA-N 280.412 3.913 30 20 CHED CCC[C@H](C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425129626 MGHMTNBMBCPQCU-STQMWFEESA-N 258.365 3.514 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)NCC(C)(C)C#N 512800868 AXRRGETUUFWBGG-AWEZNQCLSA-N 279.428 3.536 30 20 CHED Cn1ccc2ccc(NCc3ccc(F)c(C#N)c3)cc21 190605290 XSAMAVKSJRMXFV-UHFFFAOYSA-N 279.318 3.801 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H](CC(F)(F)F)C2)CC1 421959019 JRSRDVQCGGLDFJ-GFCCVEGCSA-N 289.341 3.924 30 20 CHED C=CCn1c(SC[Si](C)(C)C)nnc1-c1ccco1 199966724 NEZIXFRQBKKNOV-UHFFFAOYSA-N 293.468 3.694 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)nc1C 420269550 FMOLNWKSCHLARY-LBPRGKRZSA-N 299.399 3.768 30 20 CHED N#Cc1ccc(CC(=O)N(CC2CCCCC2)C2CC2)cc1 194750664 GFQSMVPYZSXZDG-UHFFFAOYSA-N 296.414 3.672 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccnn1[C@H](C)CC(C)C 331131236 QGWBHOMAAGKOBX-CYBMUJFWSA-N 278.400 3.530 30 20 CHED C[C@H](CNCc1ccc(C#N)s1)c1cc(F)cc(F)c1 421352773 RNEVPEWCKAAORC-SNVBAGLBSA-N 292.354 3.791 30 20 CHED C=C[C@@H]1OCCC[C@H]1c1nc(-c2coc3ccccc23)no1 424360274 SICFVBUYDUDSMW-OCCSQVGLSA-N 296.326 3.931 30 20 CHED C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1cccc(C#N)c1 192354872 POJREAPUMLKRCS-ACJLOTCBSA-N 292.382 3.992 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H](C)C1CCCCC1 511397206 JAJAMIAYUIJDBM-AWEZNQCLSA-N 284.403 3.908 30 20 CHED CC(C)c1scnc1NC(=O)CCc1ccc(C#N)cc1 518834132 ONDOQTRQVFVKDS-UHFFFAOYSA-N 299.399 3.709 30 20 CHED CN(CCOc1cccc(C#N)c1)C1CCC(C)(C)CC1 94859557 QWELUDHWQIKOGM-UHFFFAOYSA-N 286.419 3.838 30 20 CHED Cc1ccccc1OCCCNCc1ccc(C#N)c(F)c1 421328429 SJAHPHVDEOTBGU-UHFFFAOYSA-N 298.361 3.565 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(CCC#N)Cc2ccccn2)C1 330569655 HZDIISZFYVPYLD-HZPDHXFCSA-N 299.418 3.540 30 20 CHED CCSCc1ccnc(NCc2cc(C#N)cs2)c1 90228469 AICHIHHSVQEEEL-UHFFFAOYSA-N 289.429 3.880 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccnc1C 92505707 DBKZDOFIOLIEGJ-UHFFFAOYSA-N 266.388 3.621 30 20 CHED CC[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)C[C@@H](CC)O1 420950641 GMIQPBFOJISHLI-RRQGHBQHSA-N 272.392 3.509 30 20 CHED C=CCC[C@H](C)NCC(=O)Nc1ccc(C)cc1Cl 425375135 YQYMGXUEFLYPOB-LBPRGKRZSA-N 280.799 3.531 30 20 CHED Cc1c(NC(=O)C2CCC(C)(C)CC2)ccc(C#N)c1C#N 421562435 VJHZOSITBWTAPR-UHFFFAOYSA-N 295.386 3.893 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(F)c(SC)c1 337086504 FDYLCVWYLUBWPA-NSHDSACASA-N 267.369 3.632 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1 334647191 NNQSGXJBTZZDRD-HUUCEWRRSA-N 284.384 3.952 30 20 CHED C=CC[C@@H](C)NC(=O)c1csc2c1CC[C@@H](C)C2 523962933 MOWUOYSYRAWHPV-GHMZBOCLSA-N 263.406 3.567 30 20 CHED C=CCCN(C)C(=O)Nc1c(C)cccc1SC 341976217 ZLZLVAARXZOHPE-UHFFFAOYSA-N 264.394 3.757 30 20 CHED C[C@@H]1CCC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 246506521 GHPVSEMBZFTISY-AGIUHOORSA-N 281.359 3.565 30 20 CHED C=CCCCCCN(C)C(=O)NCCOC1CCCCC1 524837583 QRXLRTVCZXEMQH-UHFFFAOYSA-N 296.455 3.724 30 20 CHED C=CC1CCN(C(=O)NCCCCC(C)(C)C)CC1 520384471 SPGQCJIRAFVAPN-UHFFFAOYSA-N 266.429 3.810 30 20 CHED C=CCCN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 346857667 XKVAOSMXRBHUOZ-CYBMUJFWSA-N 296.414 3.941 30 20 CHED C=CCCN(C)C(=O)c1cnc(-c2ccccc2F)s1 344268991 YAPBWAWEFLWKMF-UHFFFAOYSA-N 290.363 3.597 30 20 CHED C=CC[C@H](C)NC(=O)c1ccsc1-n1c(C)ccc1C 342373363 JEYOVFWXHSDCEU-NSHDSACASA-N 288.416 3.850 30 20 CHED Cc1ccc2c(c1)N(Cc1cc(C#N)ccc1F)CCC2 522082786 LWWKECSPSOMWTH-UHFFFAOYSA-N 280.346 3.959 30 20 CHED C[C@@H](CCC#N)CNC[C@@H]1SCCc2ccccc21 602564492 SVXKUCNQBBIYJR-BBRMVZONSA-N 274.433 3.546 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(F)c2)s1 255121630 PWVICRHLFBCCCY-XQRVVYSFSA-N 257.289 3.655 30 20 CHED C[C@@H](CCC#N)CNc1ccc(NC(=O)c2ccco2)cc1 602484003 KQIPXJJTKBIZLT-ZDUSSCGKSA-N 297.358 3.884 30 20 CHED CCN(CCC#N)C(=O)c1sc2ccc(C)cc2c1C 345817300 PQPSBBXAJPZHHD-UHFFFAOYSA-N 286.400 3.894 30 20 CHED Cc1cc(C)c(C(=O)N[C@H](C)c2cccc(C#N)c2)s1 601264130 VBTVCFFOWYPXPH-GFCCVEGCSA-N 284.384 3.728 30 20 CHED C=C[C@](C)(CCOC)c1nc(C2CCC(C)CC2)no1 346257880 XWPOHCPRUGMEFL-SEEARECTSA-N 278.396 3.844 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(C2CC2)ncn1 603399768 PDOOVPDNEYMCKE-INIZCTEOSA-N 290.370 3.715 30 20 CHED C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccon1 349836650 SUCCQFZBUORVQE-MXWWQKGMSA-N 295.386 3.729 30 20 CHED C[C@@H](CCC#N)CN1CCc2cccc(F)c2[C@H]1C 602468188 JXBZLUHKPGIDEI-QWHCGFSZSA-N 260.356 3.685 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CCC)Cc1ccccc1 604898009 WPZOGMQSRNZCII-GDBMZVCRSA-N 274.408 3.662 30 20 CHED CC(C)CCOc1cccc(NC(=O)[C@]2(C#N)C[C@@H]2C)c1 448794076 ARNNMTOMKDYMHF-GUYCJALGSA-N 286.375 3.600 30 20 CHED C=CCCC1(C(=O)Nc2nc3c(s2)CCCC3)CC1 353812032 FIHZHJUBTILSSV-UHFFFAOYSA-N 276.405 3.707 30 20 CHED C=CCN(C(=O)c1ccc(SCC)cc1)C1CC1 351628762 ABIQHKIUFZLIFN-UHFFFAOYSA-N 261.390 3.589 30 20 CHED Cc1cc(O)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 356499815 UXWLTKASIAWPBJ-HNNXBMFYSA-N 294.354 3.727 30 20 CHED C=CCOCCCSCc1ccc(-n2cccn2)cc1 359127467 XUWINISMXCNVAA-UHFFFAOYSA-N 288.416 3.698 30 20 CHED C=C(CC)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 352818535 UQVQGIDUPHSFDG-AWEZNQCLSA-N 288.218 3.973 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](CC(C)C)c1ccccc1 538828559 MOYKXAYVKWVZRF-JKSUJKDBSA-N 272.392 3.625 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1sccc1CC 264335561 MBSLJUJERVBKMG-UHFFFAOYSA-N 278.421 3.903 30 20 CHED C=C(CC)CS[C@H](C)C(=O)N(C)c1ccccc1 539095579 OSOPIDVMCZZWBO-CYBMUJFWSA-N 263.406 3.737 30 20 CHED N#Cc1ccc(CN2CCCc3ccccc3CC2)s1 449555789 IHVZKJFUGSSTKC-UHFFFAOYSA-N 282.412 3.611 30 20 CHED C[C@@H](C#N)CN(C)Cc1csc(CCc2ccccc2)n1 440321793 AIMYRGMLRQENOF-AWEZNQCLSA-N 299.443 3.520 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cn2)C1 617787366 MXQYTSXTHDFOKV-LLVKDONJSA-N 298.308 3.529 30 20 CHED CCC(CC)(CC)CNC(=O)N1CCC[C@](C)(C#N)C1 612144377 SXWLSOUKEVENCO-OAHLLOKOSA-N 279.428 3.538 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc(F)c(F)c(F)c1 264073861 OMGMKEOWUFDXQG-UHFFFAOYSA-N 298.308 3.506 30 20 CHED C[C@@H]1CC[C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)C1 353990544 MWNQSAZHYSVLAF-BFYDXBDKSA-N 299.418 3.767 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc2ccn(C)c12 351688160 WDJGXMDYHXQZTM-MRXNPFEDSA-N 256.349 3.719 30 20 CHED C[C@@H]1CC[C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 358022113 FLABQMQAEWYRJA-INMHGKMJSA-N 284.403 3.626 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cscc1-c1ccccc1 355804906 JUXXZKOUFGWKMD-ZDUSSCGKSA-N 284.384 3.837 30 20 CHED N#C[C@@H]1CC[C@@H](NC[C@@H](c2ccccc2)C(F)(F)F)C1 442842984 RCBBBARUYUHTPL-BNOWGMLFSA-N 282.309 3.614 30 20 CHED C=CCCCCn1nc(-c2c(F)cccc2F)ccc1=O 530127508 RZTWHKHWTOZQCN-UHFFFAOYSA-N 290.313 3.545 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2cccc(C#N)c2F)C1 539250242 JRLAWQXSJZKHDJ-CHWSQXEVSA-N 260.356 3.708 30 20 CHED C=CCC1(NC(=O)Cc2ccccc2C)CCCC1 619106697 TXEPXAZRSYEGRN-UHFFFAOYSA-N 257.377 3.543 30 20 CHED C=CCCCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 352819819 XTWNIECMBVTSRS-CQSZACIVSA-N 288.218 3.973 30 20 CHED CC[C@H](C)CN(CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 267119192 AORMATJLVIIJQN-UONOGXRCSA-N 287.407 3.697 30 20 CHED N#Cc1cc(F)ccc1N1CCC(OC2CCCC2)CC1 266348245 JCTDKWCXAVNJKY-UHFFFAOYSA-N 288.366 3.625 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](CC(C)C)C1 538288845 QQUZWGTZWAROOZ-LSDHHAIUSA-N 266.429 3.809 30 20 CHED COc1cccc(CNCC(C)(C)CC#N)c1OC(C)C 459702534 VJHWLAPYOQLJFT-UHFFFAOYSA-N 290.407 3.512 30 20 CHED C=CCC1(NC(=O)c2cc(C(C)C)nn2C)CCCCC1 456363082 IFNOFSPRJUPFCQ-UHFFFAOYSA-N 289.423 3.552 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)CC#N)c1ccc(F)cc1F 457996832 UAADFDCTCBXOHT-NSHDSACASA-N 294.345 3.514 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1ccc(F)c(Cl)c1 455386861 PMTVWAOOQCBLKA-UHFFFAOYSA-N 298.789 3.833 30 20 CHED C=CC(C)(C)CNC(=O)C1(c2cccc(Cl)c2)CC1 452775971 JNUSSLUWXZZCQM-UHFFFAOYSA-N 277.795 3.700 30 20 CHED Cc1c(C#N)c(N2CCS[C@H](C)CC2)nc2ccccc12 450481133 AJYQFAJFHHGBCN-GFCCVEGCSA-N 297.427 3.747 30 20 CHED C=CC[C@@H]1N(C(=O)C2CC3(CC3)C2)CCCC1(C)C 614056565 VJZXCUFUGCNHQL-AWEZNQCLSA-N 261.409 3.770 30 20 CHED CCOc1ccc(Cl)c(NC(=O)N(CC)CCC#N)c1 455772777 MFZYXXQXUBHXIV-UHFFFAOYSA-N 295.770 3.506 30 20 CHED C=C(C)CCNC(=O)[C@H](C)Cc1ccc(Cl)cc1 452717340 KWIYTZDFABDHCI-GFCCVEGCSA-N 265.784 3.601 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CCC)C(C)(C)C 453211549 KUHPPKWKZNHJSI-ZNMIVQPWSA-N 253.430 3.772 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@]1(C)CC(C)C 452516731 XGSMNNIASCQEKB-KRWDZBQOSA-N 274.408 3.715 30 20 CHED CC[C@H](CC(F)(F)F)Nc1cc(C(C)=O)ccc1C#N 545469069 GZTWALJTQPTEGQ-GFCCVEGCSA-N 284.281 3.904 30 20 CHED C[C@@]1(C#N)CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 613284588 XOMVNKAVRJFUEF-AWEZNQCLSA-N 293.292 3.707 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 541044719 BZNAXPGDJPVSTR-TZMCWYRMSA-N 290.794 3.847 30 20 CHED C=CCN1C(=O)c2ccccc2NC12CCC1(CC1)CC2 362537875 OJVPIJLETGFHHM-UHFFFAOYSA-N 282.387 3.791 30 20 CHED C=CCC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CCC1 276697202 ALFMVXUPAUTZMQ-AWEZNQCLSA-N 288.778 3.767 30 20 CHED CCC(CC)[C@@H](NC(=O)CCCC#N)c1ccccc1 361571869 BDOKAXYAONKRRJ-QGZVFWFLSA-N 272.392 3.974 30 20 CHED CO[C@@H]1C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1(C)C 360649025 SZEKEQHGLDHXQS-RCCFBDPRSA-N 298.430 3.729 30 20 CHED C=CCN1CC[C@H](SCc2ccc(C(C)C)cc2)C1=O 540807298 XOSZEZLXZPQSQB-INIZCTEOSA-N 289.444 3.830 30 20 CHED COC1(CCN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC1 549464355 WYDFWGIGSQXVQU-QZTJIDSGSA-N 298.430 3.717 30 20 CHED C=CCOc1ccc(CN[C@@]2(C)CCO[C@H]2C)cc1Cl 544368190 IOWQHAMPCKMTTC-LRDDRELGSA-N 295.810 3.562 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(COC(C)C)c1 454601130 ISTURNJLYYWFHJ-UHFFFAOYSA-N 290.407 3.945 30 20 CHED N#CCCCOc1cccc(CN2CC(C3CCCC3)C2)c1 459618756 SQULWAJQJZISIR-UHFFFAOYSA-N 298.430 3.991 30 20 CHED CC[C@@H]1CN(C(=O)[C@]2(C#N)C[C@@H]2C)CC[C@H]1c1ccccc1 450017210 NGGPJZRMTKWNCQ-MGTHKWJCSA-N 296.414 3.578 30 20 CHED N#Cc1ccccc1OCCn1ccc(-c2ccsc2)n1 360289780 CKQLNXZFDHUNNQ-UHFFFAOYSA-N 295.367 3.562 30 20 CHED CC(C)n1cc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cn1 272326809 XDOLXOPCENWCFL-CQSZACIVSA-N 294.402 3.676 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Br 274398601 DCMGZYFFDJRNGZ-SDDRHHMPSA-N 293.208 3.792 30 20 CHED Cc1ccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 279691362 QWYFDEPDGHHVDM-UHFFFAOYSA-N 292.382 3.726 30 20 CHED CC(C)CCCS[C@H](C)C(=O)N[C@](C)(C#N)C(C)C 540716431 QGDHYCWLKPMXMR-UKRRQHHQSA-N 284.469 3.599 30 20 CHED CCCC[C@H](CCC)CNC(=O)N1CCC(CC#N)CC1 543779726 IAVBUVQCILCKIV-INIZCTEOSA-N 293.455 3.928 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1nc(C(F)(F)F)cs1 274616008 LDHSXAFTLNGKQP-CIUDSAMLSA-N 289.326 3.505 30 20 CHED C=CCCN(C)C(=O)c1ccc(OCCC)c(OCC)c1 276487099 ZXEXDNSAHXYXTN-UHFFFAOYSA-N 291.391 3.522 30 20 CHED N#CCCCCNC1CC(c2ccc(Cl)cc2)C1 273129622 BJTRQKDDCWUENR-UHFFFAOYSA-N 262.784 3.869 30 20 CHED C=CCCC[C@@H](C)N1CCC2(CCOCC2)[C@H]1C 543574825 QYLFOBJWTOXMCV-HUUCEWRRSA-N 251.414 3.622 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CC[C@@H]3CCC[C@@H]3C1)CCC2 462901870 YKUSRPVFVGPDQY-WOSRLPQWSA-N 281.403 3.823 30 20 CHED CO[C@H](C)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541089070 ICJNTCNYFUTCFK-HUUCEWRRSA-N 294.398 3.911 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C)CCc1ccco1 547363430 OKENEYQZJCBOFN-ZDUSSCGKSA-N 284.359 3.983 30 20 CHED CCN(CC#N)Cc1nc(-c2ccccc2Cl)cs1 274775870 JAOXZUCKVRBXDA-UHFFFAOYSA-N 291.807 3.809 30 20 CHED N#CCc1ccc(Cn2ccc(-c3ccccc3)n2)cc1 543144289 XPHKNQFPOXAIFV-UHFFFAOYSA-N 273.339 3.664 30 20 CHED N#C[C@@H]1N(CCCc2ccccc2)CCC[C@]12CCCCO2 375693700 RBKTYWBEAWYOLY-RBUKOAKNSA-N 298.430 3.546 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 546709358 JNHYOHVGFXSSQE-CHWSQXEVSA-N 286.375 3.722 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(Cl)c(C#N)c1 469492581 UPZLVONLDDZUMR-WDEREUQCSA-N 276.767 3.976 30 20 CHED CC[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C(C)(C)C 462063676 YDHJFKJCVKOLQJ-IUODEOHRSA-N 272.392 3.603 30 20 CHED C=C[C@H](CC(=O)NCCCSCC)c1ccccc1 282674444 NVQGVNQKVJAUIX-CQSZACIVSA-N 277.433 3.606 30 20 CHED N#CCC[C@@H](NC(=O)N1C[C@H]2CCCC[C@H]21)c1ccccc1 378102228 RADZBCJPLUMOFK-BRWVUGGUSA-N 297.402 3.615 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc3c(c2)N(C)CC3)n1 551494383 VOZVKMSPJVXBOD-UHFFFAOYSA-N 283.375 3.583 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 467407368 XAOPLFDJXHJJAK-OCCSQVGLSA-N 286.419 3.922 30 20 CHED Cc1oc(C(C)C)nc1C(=O)N(CCC#N)CC(C)(C)C 285425065 QMQAZSVHQKLADD-UHFFFAOYSA-N 291.395 3.508 30 20 CHED C[C@@]1(CNc2cc(Cl)ccc2C#N)CCO[C@@H]1C1CC1 466617929 KNKKDDZBOVZJTJ-CVEARBPZSA-N 290.794 3.829 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC(C)(C)CC(C)(C)C1)OCC 466399545 OKLPPTLYLISJTQ-CQSZACIVSA-N 281.440 3.642 30 20 CHED N#Cc1cc(F)c(NCC2CCC(C#N)CC2)c(F)c1 281744115 XFDMXGNUJHUFDK-UHFFFAOYSA-N 275.302 3.578 30 20 CHED Cc1cc(C(=O)N2CCC(C)(C#N)CC2)c(C)cc1Cl 281147888 JVSUGAKYWPHRLU-UHFFFAOYSA-N 290.794 3.723 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H]1C(C)C 460960765 UADVDKXLDKPSJP-OAHLLOKOSA-N 290.455 3.678 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCCC1(C)CC1 472241928 NVRZKMJGTWQKPM-UHFFFAOYSA-N 278.421 3.636 30 20 CHED C=CCCCCCCCCN1C(=O)N2CCC[C@@]2(C)C1=O 806673510 KIPWEJMASOZUCR-KRWDZBQOSA-N 292.423 3.720 30 20 CHED C=CCCCCCCCNC(=O)N[C@H](C)C(F)(F)F 809922333 SXTPXUHXFODYIQ-LLVKDONJSA-N 280.334 3.763 30 20 CHED CC(C)Oc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 294958435 IDPWHMVMCQWEFC-KGLIPLIRSA-N 258.365 3.968 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1cc(C#N)ccc1C(F)(F)F 475430861 SCKLDDZMSVFCPG-ZYHUDNBSSA-N 298.308 3.947 30 20 CHED C=CCC(C)(C)C(=O)N1CCS[C@@H](c2ccccc2)C1 644797120 VHTAEMWTYZHXOZ-OAHLLOKOSA-N 289.444 3.905 30 20 CHED CCN(CC(C)(C)C)C(=O)c1cc(C#N)ccc1Cl 291280504 UTEXWAOMNRBUEM-UHFFFAOYSA-N 278.783 3.720 30 20 CHED N#Cc1c(N2CCCCCCC2)nc2cc(Cl)ccn12 804321036 BINVQCKIFRWRDE-UHFFFAOYSA-N 288.782 3.630 30 20 CHED C=CCCCCCCNC(=O)C[C@@](C)(O)c1ccccc1 805220667 DKZCWAMRONYKLK-GOSISDBHSA-N 289.419 3.537 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn(CCC(C)C)c1C 474237264 ODLVPUAKYPHSBY-MRXNPFEDSA-N 277.412 3.778 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 42200232 CIFMTWRJSNKBPD-UHFFFAOYSA-N 288.709 3.797 30 20 CHED N#C[C@@H](Nc1cccc2c1CCO2)C1CCCCC1 479830874 QDSKMLFHLSDPIG-OAHLLOKOSA-N 256.349 3.506 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C(C)=C\C(C)(C)C)cc1 809258976 LHWBYVKDEUWKIK-DVFVSVACSA-N 284.403 3.922 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cc(Cl)cc(C)c1O 808707334 MBOZZLCQBXRQIW-GHMZBOCLSA-N 253.773 3.969 30 20 CHED C=C(CC)CN[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC 560539443 BQCNDFHERPIXKB-KZNAEPCWSA-N 273.420 3.894 30 20 CHED N#Cc1ccc(CC(=O)OCc2ccc3occc3c2)cc1 802853401 WQWWGUJSEUTOER-UHFFFAOYSA-N 291.306 3.590 30 20 CHED CC(C)c1cccc(CC(=O)N2CCC(CCC#N)CC2)c1 566275316 PXJXTOYCBAOFAQ-UHFFFAOYSA-N 298.430 3.895 30 20 CHED CC(C)C(CNC(=O)N1CCC(CCC#N)CC1)C(C)C 567348838 PPRMAXZQHZQKJY-UHFFFAOYSA-N 293.455 3.640 30 20 CHED C#C[C@@H](NC(=O)N(CC)Cc1ccccc1C)C(C)(C)C 808315168 VVTAPBQVBUXZLS-MRXNPFEDSA-N 286.419 3.574 30 20 CHED C=CCC[C@@H](NCc1ccc(CO)cc1)c1ccco1 647322484 XVIURXRTZRNUGM-MRXNPFEDSA-N 271.360 3.569 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCCC1(F)F 390849086 CPYVDIOETXHYMY-NSHDSACASA-N 295.289 3.704 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 564422448 BJKBHJHGXXLHJB-HNONPPJISA-N 296.414 3.604 30 20 CHED CC[C@@H](N=c1ccc(C#N)c(C)[nH]1)c1ccc(Cl)cc1 487904145 DOMKDPXXVQLOCG-OAHLLOKOSA-N 285.778 3.900 30 20 CHED C=CCC[C@H](C(=O)N=c1cc[nH]cc1CC)c1ccccc1 488815072 AVOUMBNQCBRODG-KRWDZBQOSA-N 294.398 3.754 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(SC)cc1 488581932 VRNKQENGCYNPCS-UHFFFAOYSA-N 272.373 3.648 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 397683268 KVKANOZBHUXQPI-AWEZNQCLSA-N 278.355 3.606 30 20 CHED C=CCN(CCC#N)C(=O)c1cc2cccc(Cl)c2o1 814136368 BFCAYRWEDILINV-UHFFFAOYSA-N 288.734 3.628 30 20 CHED C=CCCc1noc(-c2nc3ccccc3nc2C2CC2)n1 569677353 OTCTYAUHOCYHHC-UHFFFAOYSA-N 292.342 3.676 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 819938081 PHASQTHSMFQAOG-JHJVBQTASA-N 281.359 3.565 30 20 CHED Cc1nc(N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1C#N 567167610 RRSZXYWECUHQIK-RCBQFDQVSA-N 269.392 3.667 30 20 CHED CSC(C)(C)CC=NNc1oc(C(C)C)nc1C#N 814820533 HFONDVOXLJWJNO-UHFFFAOYSA-N 280.397 3.599 30 20 CHED CCCCC1CCC(NC(=O)CC(C)(C)C#N)CC1 486309192 FQDIDCYIYWLRBE-UHFFFAOYSA-N 264.413 3.791 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)C1 481598238 PWEQHDWVZFHJCT-NWDGAFQWSA-N 289.354 3.645 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cccc(F)c1C#N 811691724 QHPPKDFEJDABJN-WAYWQWQTSA-N 271.316 3.963 30 20 CHED C=CC[C@H](NC(=O)c1ccc(C(C)C)cn1)c1ccncc1 810408895 WIVGCCUBXXRVBL-INIZCTEOSA-N 295.386 3.647 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 572432998 WNLSHVBAYZJPOE-ARFHVFGLSA-N 286.419 3.715 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1ccc(C)c(C)c1 819814682 DRMBEMWOFWZTMB-AWEZNQCLSA-N 267.376 3.773 30 20 CHED C=C[C@@H]1CCCCN1c1cc(CC)nc(-c2ccncc2)n1 486509528 OYCZSLUCIRXROI-MRXNPFEDSA-N 294.402 3.646 30 20 CHED COCc1ccccc1/C=C(\C)C=NOC/C=C\Cl 814228740 JHYXXJMILNMWIL-WUUWZKDUSA-N 279.767 3.991 30 20 CHED COc1cccc(/C=N/[C@H]2CCc3c(C)cccc32)c1O 729641161 DAODNYAEXJDLJW-ZVCOJXFSSA-N 281.355 3.816 30 20 CHED CC(C)(C#N)CCC[S@@](=O)[C@H]1CCc2ccccc2C1 579253394 RULGBIAUTNHIBQ-OXJNMPFZSA-N 289.444 3.623 30 20 CHED C=CCN(Cc1cncc(OCc2ccccc2)c1)C1CC1 488119819 UJPUELLQLDDGRN-UHFFFAOYSA-N 294.398 3.811 30 20 CHED CC(C)(CCC#N)CNCc1cc(Cl)c(F)cc1O 816612595 UAZGMVCBMLPJBF-UHFFFAOYSA-N 284.762 3.604 30 20 CHED C[C@H](C#N)CNC[C@H](C)c1ccc(C(F)(F)F)cc1 579763695 GWUKWBZQFBKCLF-MNOVXSKESA-N 270.298 3.558 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H](C)OCCCC)C(C)C)c1 728245528 ATZALFJMXAMMSA-OAHLLOKOSA-N 287.403 3.615 30 20 CHED CC(C)c1cnc(N2CCC(CCC#N)CC2)s1 571673792 GYVHMOUQNPWIQB-UHFFFAOYSA-N 263.410 3.787 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C/C2CCOCC2)CCCC1(C)C 493423940 BHJHPPQWHKCQTP-WAVCKPEOSA-N 291.435 3.563 30 20 CHED C=CCCCCCNc1ccc(C(C)(C)C(N)=O)cc1 572348664 LLJPKVNKTMVTPU-UHFFFAOYSA-N 274.408 3.608 30 20 CHED C=CCOCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1 729758813 QDBYISBJQPXOKJ-JTQLQIEISA-N 288.265 3.512 30 20 CHED C=C(C)CNC(=S)N[C@H](c1ccc(F)cc1)C1CCC1 729159513 MLIADFDQYCDNQW-HNNXBMFYSA-N 292.423 3.707 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2OC)C1 665493011 LPROAKYJFXUCLZ-GFCCVEGCSA-N 292.354 3.654 30 20 CHED C=C(CN[C@H](CC)c1ccc(F)cn1)c1ccccc1 490144890 QZMWAPAAVJIHHD-MRXNPFEDSA-N 270.351 3.975 30 20 CHED COc1cc(C(=O)/C=C\c2csc3ccccc23)on1 821023167 YNFSDQHTVNNWQL-SREVYHEPSA-N 285.324 3.794 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)n1 582898032 JHLXKVCDIQRMPC-IBGZPJMESA-N 291.398 3.907 30 20 CHED C=CCn1c(N(C)[C@@H](C)c2ccccc2)nnc1C(C)(C)C 584557779 MAHAKOYQYLYLRA-AWEZNQCLSA-N 298.434 3.959 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCC[C@@]1(C)C(=O)O 901734274 XZXAHQRVRKUZHZ-SQWLQELKSA-N 267.413 3.744 30 20 CHED C=C1CCC(C(=O)N2CCn3c(Cl)ccc3[C@H]2C)CC1 908234590 UDQOOYOKRDDSLL-GFCCVEGCSA-N 292.810 3.791 30 20 CHED C=C(Cl)CNC(=S)Nc1ccc(OC(C)C)cc1 735982805 YOLCUOCUBJWLIR-UHFFFAOYSA-N 284.812 3.513 30 20 CHED CC(C)c1cccc2c1CCN(Cc1ccc(C#N)cn1)C2 581200409 GVGMFEVZDDHAKI-UHFFFAOYSA-N 291.398 3.635 30 20 CHED Cc1cccc(C=NNc2nc3ccccc3n2C)c1C 731150603 BOIGKQAQOAKPQA-UHFFFAOYSA-N 278.359 3.636 30 20 CHED CCCCCCCCNC(=O)[C@@]1(C#N)CC12CCCC2 827322788 AAPRBHQLMAEHOD-KRWDZBQOSA-N 276.424 3.937 30 20 CHED Cc1ccc(C)c(CON=Cc2cccc(F)c2)c1 824228458 PBFIFBPNLPLSFT-UHFFFAOYSA-N 257.308 3.993 30 20 CHED C=CCN(C/C=C/c1ccncc1)Cc1cccc(C#N)c1 494956499 MTENGMSCFUIJPV-QPJJXVBHSA-N 289.382 3.655 30 20 CHED CC(C)c1nc(CN(CCC#N)C(C)C)c2ccccn12 581314733 CENPEFIBQDVZSQ-UHFFFAOYSA-N 284.407 3.582 30 20 CHED Cc1nc(/C=C2\COc3ccc(C(C)C)cc3C2=O)[nH]c1C 901465610 VBTBMGIWOGGRKA-RIYZIHGNSA-N 296.370 3.809 30 20 CHED Cc1ccc(NC(=O)C#CC(C)(C)C)cc1OC(C)C 837582268 SKVNLUJZGUQLJZ-UHFFFAOYSA-N 273.376 3.770 30 20 CHED C=CC(C)(C)COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 835723361 UHHRFHDEGNCZHY-JTQLQIEISA-N 295.310 3.593 30 20 CHED C[C@H](OC(=O)[C@H](C)C1CCC1)c1cccc(C#N)c1 838390041 VVEGIPAMAGYGED-NEPJUHHUSA-N 257.333 3.599 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1scnc1C(C)C 839357110 QWWVTFKYVYHDTF-UHFFFAOYSA-N 298.411 3.542 30 20 CHED CC(C)N(Cc1ccc(F)cc1)C(=O)C#CC(C)(C)C 837371451 CMGXBUOBBWKHES-UHFFFAOYSA-N 275.367 3.612 30 20 CHED C=CCCc1ccccc1NC(=O)NCc1coc(CC)n1 836600502 WIEJKJUMSBGRGH-UHFFFAOYSA-N 299.374 3.677 30 20 CHED N#Cc1ccc(OCCOC(=O)/C=C/C2CCCCC2)cc1 735564921 YFIOIJZPRFYFOW-DHZHZOJOSA-N 299.370 3.617 30 20 CHED C=CCOCCCSCCc1ncc(C)cc1C 580952338 YCMFWSFFUOIBAK-UHFFFAOYSA-N 265.422 3.567 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2c(F)cccc2Cl)C1 839060348 ZQOAGWCRWNPECR-VHSXEESVSA-N 281.714 3.718 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@@H]1CCC[C@@H]1CC 835337740 QBFYNHDDRQVNLF-SQWLQELKSA-N 268.397 3.585 30 20 CHED Cc1cc(CNc2ccc(OC(C)(C)C)c(C#N)c2)on1 834639820 CRDXSNXWVQUJAU-UHFFFAOYSA-N 285.347 3.644 30 20 CHED CCCCC(COC)=NNc1ncc(Cl)cc1Cl 737425629 YKJYNJNPOQXZFP-UHFFFAOYSA-N 290.194 3.993 30 20 CHED C=CCCC[C@H](C)NC(=O)CC[C@H]1CC1(Cl)Cl 831732491 KOELVRAHTHWIQM-QWRGUYRKSA-N 278.223 3.821 30 20 CHED C/C=C/COc1ccc(CC[C@H](C)NCC2(C#N)CC2)cc1 583418194 VAZYCWUXCKKBON-CWDCEQMOSA-N 298.430 3.856 30 20 CHED CC[C@@H](C)n1ncc(NCc2cc(C#N)ccn2)c1C1CC1 901434965 QIBONCSBXGRJGG-GFCCVEGCSA-N 295.390 3.610 30 20 CHED C=CCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 735531269 AUZGNWZWBVTWDC-UHFFFAOYSA-N 289.375 3.601 30 20 CHED C=CC(C)(C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 835387465 IWUZRIPBKRQMRW-JTQLQIEISA-N 276.405 3.829 30 20 CHED C=CCCS(=O)(=O)N1Cc2ccccc2-c2ccccc21 675755112 XILQMVODXCRKGB-UHFFFAOYSA-N 299.395 3.580 30 20 CHED Cc1nc(-c2ccc(NC(=O)C#CC(C)(C)C)cc2)oc1C 837356373 PAHAIEDINVCHGB-UHFFFAOYSA-N 296.370 3.946 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1cc2ccccc2s1 588535077 HRUCZKUGXFOOMX-FPLPWBNLSA-N 282.368 3.839 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCC1CC1 589706840 IBFCEBNXOSLOFO-QZTJIDSGSA-N 296.414 3.865 30 20 CHED CC(=NNc1nncc2ccccc12)c1ccc(F)cc1 915909735 PKPRKTBPOKSNCU-UHFFFAOYSA-N 280.306 3.605 30 20 CHED Cc1c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)ccn1C(C)C 839063222 QJNXGXHOSYMRRI-UONOGXRCSA-N 274.364 3.617 30 20 CHED Cc1cc2ccccc2n1CC(=O)O[C@H]1CCC[C@H](C#N)C1 839059105 VPFOCRMTHGTLPX-HOCLYGCPSA-N 296.370 3.575 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)/C=C\c1ccccc1C#N 736029528 SGKVEBCXJAHPHQ-AMERNYOASA-N 283.371 3.939 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(F)c(Cl)c2F)C1 839451725 ZQRAOMQNGWNDFD-BDAKNGLRSA-N 299.704 3.857 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](C)CCc1ccco1 911737127 ZGGLQFJIJNNEPI-CABCVRRESA-N 290.407 3.741 30 20 CHED C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 595092348 URMZVELNANHXHB-KZULUSFZSA-N 278.355 3.602 30 20 CHED C=CCC1(c2nc(-c3cccn4ccnc34)no2)CCCC1 834713641 BSPLKDQSTJMZAO-UHFFFAOYSA-N 294.358 3.772 30 20 CHED FC(F)(F)c1ccc(C=NNc2ccccn2)cc1 916276263 UFEWYIANQGZRAB-UHFFFAOYSA-N 265.238 3.546 30 20 CHED CC(=O)c1cc(C#N)ccc1NCCCC(C)(C)C#N 834673905 WTCORCSGAPLGOL-UHFFFAOYSA-N 269.348 3.503 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1SCc1ccco1 674955675 FWDLPHUONUNPOS-LBPRGKRZSA-N 287.384 3.876 30 20 CHED C#CCCCOC(=O)c1cccc2c3c([nH]c12)CCCC3 918498100 LNECSKCAKYSQJX-UHFFFAOYSA-N 281.355 3.617 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC2(CCC2)C1 593508394 DJGUGSALDRLDKQ-CYBMUJFWSA-N 297.402 3.593 30 20 CHED C(=NNc1nncc2ccccc12)C1CCCCC1 915914781 YRRZCYKWRFRRLR-UHFFFAOYSA-N 254.337 3.608 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)Cc1ccccc1C 917557015 UDGLPXAPAKUHFY-VCRXTVNUSA-N 283.371 3.759 30 20 CHED CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](C2CCCCC2)C1 598629165 YKLQKBAKRRJDDY-DLBZAZTESA-N 292.467 3.579 30 20 CHED C[C@H](CCCC(F)(F)F)NCCc1ccc(C#N)cc1 595055631 HJICOCXAYORNPV-GFCCVEGCSA-N 284.325 3.811 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1(c2cccs2)CCCCC1 594090501 WIUDFHDJRZXZJZ-CYBMUJFWSA-N 290.432 3.711 30 20 CHED N#Cc1ccc(SCC2(C#N)CCCC2)c(F)c1 917092342 LMJIBNLMDJAOFJ-UHFFFAOYSA-N 260.337 3.873 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1ccncc1 916339527 OBRCZNQDFRFPNS-UHFFFAOYSA-N 253.349 3.843 30 20 CHED Cn1ccc(C=NNCc2ccc(-c3ccccc3)cc2)c1 749861303 MWVQCGHPSMYTMJ-UHFFFAOYSA-N 289.382 3.816 30 20 CHED C=C(CC)CNC(=S)Nc1ccc(OC(C)C)cc1 840826288 JWNRBZZOJMQGRU-UHFFFAOYSA-N 278.421 3.726 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccc(C(F)F)cc1F 847678711 HQXGSBYKECGDKN-NSHDSACASA-N 285.265 3.858 30 20 CHED N#CCCCCOC(=O)c1ccccc1C(F)(F)F 912956544 JSDZCDXGTOGPQR-UHFFFAOYSA-N 271.238 3.556 30 20 CHED CCCCCCCC(=O)N1CCC(CCN(C)C)CC1 918706633 XXXGNLKTOOBNFH-UHFFFAOYSA-N 282.472 3.537 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccnn1CC1CC1 849244787 KLKLKOXTYKZQPQ-ALCCZGGFSA-N 284.334 3.637 30 20 CHED C=CCCSCCN[C@@H]1CCCOc2ccccc21 595060181 UDEHDNAAKYMLBZ-OAHLLOKOSA-N 277.433 3.799 30 20 CHED Cc1cccc(Cl)c1NC(=O)N1CCC[C@H](CC#N)C1 596841518 GUDLDRYBFXHNEP-GFCCVEGCSA-N 291.782 3.806 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1cc(F)ccc1Br 841655465 RWPMXNXMXXWMRS-HTQZYQBOSA-N 271.133 3.642 30 20 CHED CC(C)(CCC#N)CNC(=O)NCc1ccc2occc2c1 595626098 LLQMUGSAKNJORR-UHFFFAOYSA-N 299.374 3.562 30 20 CHED N#Cc1ccc(/C=C2\Cc3c(F)ccc(F)c3C2=O)c(F)c1 749582226 LRXSDPAFZLHCCB-IZZDOVSWSA-N 299.251 3.798 30 20 CHED CCOc1cccc(/C=N\CCCc2ncccc2C)c1O 840709675 NTJDPJZFZXLKST-UYRXBGFRSA-N 298.386 3.546 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)C[C@H](O)CC(C)(C)C#N 598585275 BLBHFRXHSLQEHO-SWLSCSKDSA-N 294.826 3.634 30 20 CHED C#CC1CCN(C(=O)c2ccc(C)c3ccccc23)CC1 843702868 ZPIIBWZWVAKSQO-UHFFFAOYSA-N 277.367 3.634 30 20 CHED C=CCCCCCCNC(=O)Nc1cc(N)ccc1F 841307118 QWBUANQPLGKBJK-UHFFFAOYSA-N 279.359 3.666 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](CC#N)C1 597901892 NUWFOVDKGXOKDJ-DLBZAZTESA-N 298.430 3.716 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 680241937 VANSJJGMCQUXPO-UHFFFAOYSA-N 298.333 3.792 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@H](C)C[C@@H](C)C2)o1 747753842 NZVYGLGHMDEJNZ-GHMZBOCLSA-N 274.368 3.894 30 20 CHED N#C[C@@H](C(=O)CC1C2CC3CC(C2)CC1C3)c1ccccn1 845441862 VHEGAFPAQXFZLG-QXGXVAPBSA-N 294.398 3.720 30 20 CHED C=C(C)CCNC(=S)Nc1ccc(F)c(Cl)c1 840791043 ABPISIKEWDQSJU-UHFFFAOYSA-N 272.776 3.732 30 20 CHED CC(=NNc1ccccn1)c1ccc2c(c1)CCCC2 916276058 IJFLPQUQZOMGER-UHFFFAOYSA-N 265.360 3.797 30 20 CHED O=C1CCc2cc(C(=O)/C=C/c3cccc(F)c3)ccc2N1 915993722 XVTOUHAQOQVMLY-XBXARRHUSA-N 295.313 3.607 30 20 CHED N#C[C@H](C(=O)C1(F)CCCCC1)c1nc(C2CC2)cs1 842944123 ITRQFPSGGIZFMV-LLVKDONJSA-N 292.379 3.869 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCCN(CC)C1 746526067 WYTRJEHKJRTGKP-INIZCTEOSA-N 282.472 3.585 30 20 CHED CC(C)c1ccc2c(c1)CN(c1ccncc1C#N)CC2 596412647 SGQWDVQVWPSIDS-UHFFFAOYSA-N 277.371 3.639 30 20 CHED C=CCc1ccccc1OC(=O)C1SCCCS1 842285678 MMRLRFDTDHDUGQ-UHFFFAOYSA-N 280.414 3.517 30 20 CHED O=C(/C=C/c1ccco1)OCC#Cc1ccc(Cl)cc1 749195955 DXEMCLCBEUMDFF-MDZDMXLPSA-N 286.714 3.541 30 20 CHED CCCCCCCCCN[C@@H]1C[C@@H](C)n2ncnc21 924582785 TXFFAQCFHVCROG-ZIAGYGMSSA-N 264.417 3.624 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@@H]2CCCC[C@@H]2C)n1 920788486 CZQZJLYWIKRVTP-WCFLWFBJSA-N 276.405 3.844 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C=C\C1CCCC1 843556839 LVUBKLZJFLCMKV-YFHOEESVSA-N 287.334 3.523 30 20 CHED C=CCCO[C@H](C)c1nc([C@H]2CCc3ccccc3C2)no1 680768456 ATGKOLHBWOHOGV-CJNGLKHVSA-N 298.386 3.996 30 20 CHED CCC(C)(C)CCOC(=O)c1cccc(CC#N)c1 744340714 FCYZLNKLOBMVRA-UHFFFAOYSA-N 259.349 3.736 30 20 CHED CC[C@H](N[C@@H](C)CC(C)(C)C#N)c1nc(C)cs1 924971396 AEXLXXOETQOUCV-JQWIXIFHSA-N 265.426 3.821 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1cc(Cl)ccc1Cl 753711083 HGHZPGUTUWADES-UTCJRWHESA-N 295.169 3.931 30 20 CHED C=CCCC(C)(C)NC(=O)c1sc(Cl)nc1C 856374328 WZIBUGALHIHMOM-UHFFFAOYSA-N 272.801 3.580 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc(CC(=O)O)cc1 750905531 MKLVIJAWONLQEV-CLFYSBASSA-N 298.313 3.657 30 20 CHED O=C(/C=C\c1ccccc1F)c1ccc(F)cc1O 757476720 RIPNOUNTKVJPAP-YVMONPNESA-N 260.239 3.567 30 20 CHED N#CCCn1cc(C=NOCC2CCC2)c2ccccc21 853439924 PJZPYCXGEINTCL-UHFFFAOYSA-N 281.359 3.706 30 20 CHED Cc1sc(C(=O)OCC#N)cc1-c1ccc(F)cc1 756539210 DQNUBTPELORQTJ-UHFFFAOYSA-N 275.304 3.543 30 20 CHED CCCCCCCNC(=O)N1CCC2(CCC2)C1 858111143 UUQLYKCCCHUDIO-UHFFFAOYSA-N 252.402 3.542 30 20 CHED C=CCC(C)(C)c1noc(-c2cc3ncccc3o2)n1 924080185 LCTXZBAAGICXLU-UHFFFAOYSA-N 269.304 3.732 30 20 CHED CC(C)CSCCCOC(=O)c1cc(C#N)cs1 751741540 QBKWDDCRZVZDJN-UHFFFAOYSA-N 283.418 3.556 30 20 CHED C#CC(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@@H](C)C1 754029285 JEHOOYRFHVBVRQ-XUWXXGDYSA-N 269.388 3.612 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C(C)=C1CCCC1 753595728 IYARIULTENMYKN-UHFFFAOYSA-N 285.362 3.678 30 20 CHED Fc1ccc2nc(C=NOCC3CCC3)sc2c1 853441236 RCILOFKSCJTXAX-UHFFFAOYSA-N 264.325 3.586 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(OCCC)cc1)OCC 756486148 FVOIUIIZXZZRGJ-MRXNPFEDSA-N 292.375 3.752 30 20 CHED C#CC[C@H](NC(=O)NCc1sccc1C)c1ccccc1 757016135 NIOQLUBVQBZMTN-HNNXBMFYSA-N 298.411 3.620 30 20 CHED CC(C)[C@@H]1CCCCC1=Nn1cc(Br)cn1 752748255 UPTSDGBMZYDQJP-NSHDSACASA-N 284.201 3.696 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(C(C)(C)O)cc1 926426425 DTHMWVWLWVNWQU-CQSZACIVSA-N 288.435 3.895 30 20 CHED Oc1ccc(C=NNc2cccc(Cl)c2F)cc1 921137508 AAGMGGAJRGRHSE-UHFFFAOYSA-N 264.687 3.631 30 20 CHED C[C@@H](CC(=O)OCc1ccc(CC#N)cc1)c1ccco1 859815604 QRWCQVLQLICFLJ-ZDUSSCGKSA-N 283.327 3.583 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1F 48824314 DJMWZHCDPXEQKW-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/C1CC=CC1 759643688 ONDVWQOUMKULIX-VIZOYTHASA-N 256.132 3.837 30 20 CHED COc1cc(NC(=O)NCCCCC#N)cc2ccccc12 933772582 VOCQEIKMJFJQNM-UHFFFAOYSA-N 297.358 3.664 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](CC)c1ccc(Cl)cc1 753243271 NUBOLUNKEDCMNK-UONOGXRCSA-N 278.783 3.502 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc2c(c1)OCO2 750945866 JUHXGKVMDISCQM-UHFFFAOYSA-N 286.306 3.699 30 20 CHED C[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CC(C)(C)C1 753575827 MOOJBJVVAKABHA-MRXNPFEDSA-N 299.462 3.904 30 20 CHED C=CC[C@@H](NC(=O)OC1CCCCC1)c1ccncc1 866795531 YRBPOJXWCZEBFP-OAHLLOKOSA-N 274.364 3.758 30 20 CHED C#CCN(C(=O)[C@H](C)c1ccc2ccccc2c1)C1CC1 763795943 SMDIAOFBONYQGS-CQSZACIVSA-N 277.367 3.568 30 20 CHED CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCC1(C#N)CCC1 768077617 FYCKRXJPNBLTHO-ILXRZTDVSA-N 293.407 3.597 30 20 CHED Cc1ccc(C=NNCc2cnc3ccccc3c2)cc1C 764778066 FYJLYIHIDPRVCE-UHFFFAOYSA-N 289.382 3.975 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2cc3c(s2)CCC3)cc1 764431242 CMRPNQSCGLAEJE-RMKNXTFCSA-N 298.363 3.831 30 20 CHED CC#CCCCC(=O)OCc1cc(Cl)nc(Cl)c1 767667684 RCAOUASCOVTFIR-UHFFFAOYSA-N 286.158 3.625 30 20 CHED CCCCCCCC(=O)N(C)CCOC(C)(C)C 768352926 PHSOWPOGSJHNLE-UHFFFAOYSA-N 257.418 3.620 30 20 CHED C#Cc1cccc(NC(=O)/C=C/c2ccc3[nH]ccc3c2)c1 765573718 PVCRNLGWSCKPCQ-VQHVLOKHSA-N 286.334 3.801 30 20 CHED CO[C@](C)(C=NNc1cccc(F)c1Cl)C1CC1 863158825 SPBYAOJDAKPIED-CYBMUJFWSA-N 270.735 3.692 30 20 CHED CCCCCCCNC(=O)c1ccncc1C(F)(F)F 862357153 OGIIKHOKPWCMCP-UHFFFAOYSA-N 288.313 3.801 30 20 CHED C#CCCN(CCc1ccc(Cl)cc1)CC1CC1 760841336 UYEFIKSCCJNVAM-UHFFFAOYSA-N 261.796 3.618 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc(OC2CCCC2)cc1 767931050 KJSCWWIXODWRLZ-UHFFFAOYSA-N 299.414 3.674 30 20 CHED CSc1ccc(C(C)=NNc2ncccn2)c(Cl)c1 763354475 PBFZNPKQGAFPNF-UHFFFAOYSA-N 292.795 3.688 30 20 CHED COc1cc(C(=O)/C=C\c2ccc3c(c2)CCC3)ccc1O 1116131826 HWJXVMZJNZGAPN-TWGQIWQCSA-N 294.350 3.786 30 20 CHED CC[C@H](C)n1nc(NC(=O)CC#Cc2ccccc2)cc1C 1116475408 CSVYLFNEUOXSHF-AWEZNQCLSA-N 295.386 3.543 30 20 CHED Cc1nccn1CCCON=Cc1ccc(C(C)C)cc1 769556140 IYZUGFCACPLMGN-UHFFFAOYSA-N 285.391 3.756 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(N2CCCCC2)c1 767079012 UWHLCQDUMKJFHF-UHFFFAOYSA-N 284.403 3.665 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](C)c1ccccc1F 878142295 DECWVPDEZZBTLD-GFCCVEGCSA-N 263.356 3.947 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](OC)c1ccccc1F 879390575 ZZEQUEMYGIXACQ-LRDDRELGSA-N 293.382 3.620 30 20 CHED Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 772959772 NMFZOFDPHBKHHN-GJZGRUSLSA-N 295.386 3.704 30 20 CHED CCCCCCCCC(=O)NCCc1cnc(C)s1 772127853 XZLWPPMHEHCNIP-UHFFFAOYSA-N 282.453 3.861 30 20 CHED C#CCCCCCC(=O)Nc1cc(C#N)cn1C(C)(C)C 779855939 XJVGOPUCQGTECF-UHFFFAOYSA-N 285.391 3.637 30 20 CHED CCc1ccsc1C(=O)OCc1ccc(CC#N)cc1 776111253 CQOWSZQDRDKTHA-UHFFFAOYSA-N 285.368 3.734 30 20 CHED COc1cccc(-c2ccc(C3(C#N)CC3)cc2)c1OC 871884696 GIWXUSIYYJBALM-UHFFFAOYSA-N 279.339 3.926 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc(Oc2ccc(F)cc2)cc1 770926868 GMUMHIUEOHNRJX-LBPRGKRZSA-N 299.301 3.934 30 20 CHED O=C(CC#Cc1ccccc1)OCCCc1ccsc1 1116534348 ISIQJVCVUOFOAX-UHFFFAOYSA-N 284.380 3.666 30 20 CHED C#CC[C@H](NC(=O)N[C@H]1CC12CCCCC2)c1ccccc1 770790734 FYFMNMZCEGDNNQ-IRXDYDNUSA-N 296.414 3.773 30 20 CHED CCCC[C@H](CC)C(=O)OCc1cccc(C#N)c1F 774920675 DJQJOFIWAASVHQ-LBPRGKRZSA-N 277.339 3.957 30 20 CHED COC[C@@H](C)NN=C(C)c1ccc(-c2cccs2)cc1 777903111 XGZNUEXFTTVDCE-GFCCVEGCSA-N 288.416 3.764 30 20 CHED C=CCC(C)(C)c1nnc(COc2ccccc2F)o1 1118366954 XSFVCSNTSBXYGL-UHFFFAOYSA-N 276.311 3.641 30 20 CHED C#CCCCCCC(=O)Nc1ccc(N(C)C)cc1C 779847705 BJCRQXHSGNTVDQ-UHFFFAOYSA-N 272.392 3.583 30 20 CHED O=C1/C(=C/c2ccccc2F)Oc2cc(F)ccc21 773169874 ADWUXPPJZXIFSV-AUWJEWJLSA-N 258.223 3.581 30 20 CHED C=C(CC)COC(=O)c1cccn1Cc1cccs1 773505110 LSYSVCTWYAUIBN-UHFFFAOYSA-N 275.373 3.721 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1N1CCCC1 878069896 YQZTZDLTLREBMN-UHFFFAOYSA-N 272.392 3.828 30 20 CHED CCC(CC)CNN=Cc1ccc2ncccc2c1 774460353 FRAPCQJLEZHFTL-UHFFFAOYSA-N 255.365 3.595 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(O)c(F)c1 775395792 UQYXUBSZMAWFEN-KRWDZBQOSA-N 296.345 3.570 30 20 CHED CCOC(=O)[C@@H]1CCC(=NOC2CCCCC2)[C@@H](C)C1 777458532 FZRDHVGLQSBREQ-QWHCGFSZSA-N 281.396 3.691 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@H]1CCCc2nc(C)sc21 1123652146 CYNLETYYJIPPCS-AWEZNQCLSA-N 292.448 3.890 30 20 CHED C#CC[C@H](NCc1ccc(SC)o1)c1ccccc1 883076509 FSPQYBSCPPEFQR-HNNXBMFYSA-N 271.385 3.856 30 20 CHED CCN(CC)c1ccc(/C=C/C(=O)c2cscn2)cc1 776193642 SVDFXRGCYODACM-JXMROGBWSA-N 286.400 3.885 30 20 CHED C[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1cccc(F)c1 776390287 UVSDWIKMYMRKKR-LRDDRELGSA-N 289.350 3.945 30 20 CHED CC(Cn1nc(C)cc1C)=NO[C@H]1CCCc2ccccc21 775680895 KOSOBHWGQKOFQR-SFHVURJKSA-N 297.402 3.970 30 20 CHED C=C(CC)COC(=O)c1ccc(F)c(Cl)c1F 773561438 KEZXFAPWSLIGAL-UHFFFAOYSA-N 260.667 3.741 30 20 CHED C#Cc1cccc(NCc2c[nH]nc2-c2ccsc2)c1 780545737 UBXNGLIPAXOAGI-UHFFFAOYSA-N 279.368 3.732 30 20 CHED Cc1ccnc(NN=Cc2cc(C)c3ncccc3c2)c1 783856051 VUVAMDJAACOYTJ-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C=CCC1(O)CCN([C@H](C)c2ccc(F)c(Cl)c2)CC1 886761665 ITWZIURUKYYWPL-GFCCVEGCSA-N 297.801 3.943 30 20 CHED COc1ncc(C(=O)/C=C\c2ccccc2F)cc1Cl 789156585 BYJHCZQSAUUJEJ-SREVYHEPSA-N 291.709 3.779 30 20 CHED C[C@@H]1CC(=NOC[C@@H]2CCOC2)C[C@H](c2ccccc2)C1 788029110 CTSFPJIOIMABPA-ZMSDIMECSA-N 287.403 3.999 30 20 CHED C#CCC1(C(=O)Nc2cccc(OC)c2)CCCCC1 788149390 QQXJHMJSGIJKFY-UHFFFAOYSA-N 271.360 3.608 30 20 CHED CC1(C)C[C@@H](NN=C2CCC[C@@H]2c2ccccc2)CCO1 780249297 CODQEIBKMSPLKN-JKSUJKDBSA-N 286.419 3.857 30 20 CHED CC(C)(C#N)CCCOC(=O)C1(Cc2ccccc2)CC1 784065912 SDHPZFHMFCJEAG-UHFFFAOYSA-N 285.387 3.882 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C\C1CCCCC1 783716002 JYBDMERJISKNRJ-KTKRTIGZSA-N 263.381 3.996 30 20 CHED CC(C)(C)CN(C(=O)c1cccc(C#N)c1)c1ccccn1 891503024 BULVAPDHOGSNMD-UHFFFAOYSA-N 293.370 3.646 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Cl)cc2C)n(C)n1 789157024 VGNVTMOTZMMEGM-ALCCZGGFSA-N 274.751 3.586 30 20 CHED C[C@@H](OC(=O)c1cccnc1C1CC1)c1ccc(C#N)cc1 784060877 YPYIDKUSRXDTGD-GFCCVEGCSA-N 292.338 3.749 30 20 CHED CS[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 75878264 KJSKDBXMNDSIFZ-SECBINFHSA-N 294.445 3.579 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 892605497 QVYZUWJGKAPSIU-LBPRGKRZSA-N 289.375 3.852 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc(-c2ccncc2)cc1 788032527 ACYHBEBBMWSHOM-OAHLLOKOSA-N 296.370 3.526 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1ccc(O)cc1O 782342200 ORALMKQGYHIOLC-KXFIGUGUSA-N 291.306 3.542 30 20 CHED CC(=O)[C@@H]1C[C@H](CC(=O)OCCCC(C)(C)C#N)C1(C)C 784798198 LNGHQFFTGMGPQF-KGLIPLIRSA-N 293.407 3.501 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1cc(F)cc(F)c1 899362355 RBHHJMBGUBVFRN-PLNGDYQASA-N 288.297 3.782 30 20 CHED Cc1cc(C)cc(OCC(=O)OCCCC(C)(C)C#N)c1 781944354 UECWEDWKCZSZSN-UHFFFAOYSA-N 289.375 3.555 30 20 CHED Fc1cc(NN=C2C[C@H]3CCCc4cccc2c43)ccn1 781133955 YAQZQJRXXGSHRC-GFCCVEGCSA-N 281.334 3.861 30 20 CHED C#CCC1(C(=O)N[C@H]2CSc3ccccc32)CCCCC1 788223369 CTNIBIOXHHZUJP-HNNXBMFYSA-N 299.439 3.923 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCOC2(CCC2)C1 890990155 LHBCIKHLJJDXTN-INIZCTEOSA-N 293.451 3.979 30 20 CHED Cc1cc(F)ncc1CNc1cc(C#N)ccc1OC(C)C 893421076 PVQLOGBCGCTKOF-UHFFFAOYSA-N 299.349 3.800 30 20 CHED CCc1ccc(CCC=NNc2ncccc2F)cc1 794991001 UUADLJTZOUZWIH-UHFFFAOYSA-N 271.339 3.814 30 20 CHED CCN(CC1CCC(C(F)(F)F)CC1)C[C@H](C)C#N 185499460 QXODNCXVOGVAQW-PNESKVBLSA-N 276.346 3.837 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccnc(F)c1 794922168 IAVXUXSJQPWKPX-UHFFFAOYSA-N 261.275 3.504 30 20 CHED CC(C)c1cccc(CN2CCC[C@H](CC#N)C2)c1 595617280 RCJTZDKUXDXTNR-OAHLLOKOSA-N 256.393 3.936 30 20 CHED CCC(Cc1cccs1)=NNc1ncccc1C 790193214 YMJSZPQXRBJNMZ-UHFFFAOYSA-N 259.378 3.872 30 20 CHED C#CCCCCN[C@H]1CCCCc2cc(C#N)ccc21 795805615 NORKZWIESMVBSP-SFHVURJKSA-N 266.388 3.719 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc2nc(-c3ccccc3)oc2c1 796729727 YUZLTIWANBTQHW-GFCCVEGCSA-N 291.306 3.673 30 20 CHED Fc1cc(Cl)ccc1C=NNc1cccc(Cl)n1 793160432 ALCVZBUAWZZPSM-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CCCCCCCCOC(=O)C[C@@H]1CCCOC1 795904411 UCESRSJOTVIBJW-AWEZNQCLSA-N 256.386 3.707 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)o1)c1cc2ccccc2s1 794309532 OOSCDIKGNUWPON-SNVBAGLBSA-N 296.351 3.857 30 20 CHED C#CCSCCNCc1ccccc1-c1ccccc1 740013860 AHKYQWUYAHQLQG-UHFFFAOYSA-N 281.424 3.810 30 20 CHED CC(C)[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N 78834967 JKYJSYDGLLASJW-NSHDSACASA-N 283.297 3.597 30 20 CHED Cc1cc(N(C)C)ccc1NCC(C)(C)CCC#N 92119615 BHTTZSUJXZBLBP-UHFFFAOYSA-N 259.397 3.803 30 20 CHED Cc1ccc(CN2CCCc3cc(C#N)ccc32)cc1F 1307804602 YZSHJFZCEMVLOF-UHFFFAOYSA-N 280.346 3.959 30 20 CHED Cc1cc(C)c2c(c1)CN(Cc1ccc(C#N)cc1F)CC2 1308695444 HEJLXKPSYVGPAK-UHFFFAOYSA-N 294.373 3.873 30 20 CHED N#Cc1cnc(Oc2ccc(Cl)c(F)c2)c(F)c1 1307083045 KOTBMUONNIDOTJ-UHFFFAOYSA-N 266.634 3.677 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(F)cc1 1168370613 TXOMFSXBEQHVAY-GOSISDBHSA-N 282.362 3.981 30 20 CHED N#CC1(NC(=O)c2ccc(-c3ccccc3)s2)CCC1 1318106899 VWBGTRLALZIQFE-UHFFFAOYSA-N 282.368 3.591 30 20 CHED C#CCN(Cc1ncc(-c2ccccc2)s1)CC1CC1 1319827599 TYIKGGCFFOSFMG-UHFFFAOYSA-N 282.412 3.655 30 20 CHED CC1(C#N)CCC(NCc2ccc3c(c2)CCC3)CC1 1173587533 AANJMSWLVFSODJ-UHFFFAOYSA-N 268.404 3.737 30 20 CHED C#CCCOC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 1329209212 JBBGUBSXUMWLSC-NSHDSACASA-N 299.292 3.858 30 20 CHED N#Cc1cccc(NN=Cc2ccc(N3CCCC3)cc2)c1 1327787755 QWRQZHDKVCEKIT-UHFFFAOYSA-N 290.370 3.604 30 20 CHED CCc1cccc2c1OCC[C@@H]2Nc1cccc(CC#N)n1 1325709936 JBHZXDRCYAZTKK-INIZCTEOSA-N 293.370 3.646 30 20 CHED CC/C(C)=C(/C)c1nnc(COc2ccc(C#N)cc2)o1 1326962146 MCOMPFNDFBIJDF-QXMHVHEDSA-N 283.331 3.724 30 20 CHED C[C@H](OC(=O)c1ncc(Cl)s1)c1ccc(C#N)cc1 1322476042 OXOMTNJOOGWYBG-QMMMGPOBSA-N 292.747 3.586 30 20 CHED C=C(C)CCC(=O)Nc1cc(OC)ccc1OC(F)F 1337062407 KYNOICRMSGOWSE-UHFFFAOYSA-N 285.290 3.591 30 20 CHED C=C(C)CCC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 1338984222 JEILUUDDZBTDJY-CTYIDZIISA-N 261.340 3.544 30 20 CHED COC(=O)c1cccc(/C=C2/CCc3sccc3C2=O)c1 1332889792 XDCUQZRUBWGJNK-XFXZXTDPSA-N 298.363 3.747 30 20 CHED CC[C@H]1CN(Cc2cccc(C#N)c2F)c2ccccc2O1 1191268273 KBXOYFFKRBDNEN-HNNXBMFYSA-N 296.345 3.875 30 20 CHED CN(Cc1ccc(Cl)cc1)C(=O)c1ccsc1C#N 1347951290 YHLQFOSQVICDOB-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C=CCC(CC=C)C(=O)NCCCc1ccsc1 1340995978 JBEJNWDVSCCRHL-UHFFFAOYSA-N 263.406 3.565 30 20 CHED N#C[C@@H](C(=O)c1cccc2c1CCCC2)c1cccc(F)n1 1347218420 OCNGWPHHTRHNPD-OAHLLOKOSA-N 294.329 3.590 30 20 CHED Cc1ccc(C2=CCN(c3cccc(CC#N)n3)CC2)cc1 1342843198 OIYQYSIMHOGTSF-UHFFFAOYSA-N 289.382 3.750 30 20 CHED C=C[C@H](CC)CC(=O)O[C@H]1CCCc2cccnc21 1346106294 AHJSNXTXVTVNHO-OCCSQVGLSA-N 259.349 3.605 30 20 CHED CCC(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1 1279277651 WLGPFZAMFVVJNT-UHFFFAOYSA-N 292.338 3.598 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1438609594 FZWDDYDTURATJN-JTQLQIEISA-N 278.302 3.601 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2cc(F)ccc2Cl)c1 1352561844 GMFCGUZMEFCHRI-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3F)cc2)cc1 1356261448 FGNSDSLNZQVELL-HZPDHXFCSA-N 296.301 3.647 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@H](C)CCC[C@@H]1C 1360392827 VPMARWLBDNKIHG-OCCSQVGLSA-N 270.376 3.517 30 20 CHED CC(C)Oc1ccc(C(=O)O[C@@H](CC#N)c2ccco2)cc1 1518001454 MTISRSFPMPTCQQ-INIZCTEOSA-N 299.326 3.879 30 20 CHED Cc1nc(C(=O)NCC(C)(C)C2CCCCC2)ccc1C#N 1458073835 HOIHRIHHJQYDCY-UHFFFAOYSA-N 299.418 3.598 30 20 CHED CCCCCCCC(=O)N(CC(C)C)C(C)(C)C(=O)O 1605267634 ZNHASCAETARHCR-UHFFFAOYSA-N 285.428 3.695 30 20 CHED COc1cccc(SC)c1NC(=O)c1ccc(C#N)cc1 1525775827 FQSBRKSEIAWEMF-UHFFFAOYSA-N 298.367 3.541 30 20 CHED N#Cc1cccc(SCc2ccoc2C(=O)O)c1Cl 1608218373 LTRXKBZVCCOEPP-UHFFFAOYSA-N 293.731 3.795 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)cc1F)[C@H](C)c1ccccc1 1539827494 ZINGODHABUFHPF-QWHCGFSZSA-N 296.345 3.619 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)[C@H]1CC2CCC1CC2 1474624423 SZAPQEXFJIENQR-MTYUVTTFSA-N 282.431 3.905 30 20 CHED C=CCCCSc1nnc(C)n1Cc1ccccc1 117547676 LESURRRUZAFAAQ-UHFFFAOYSA-N 273.405 3.693 30 20 CHED C[C@@H](CCNC(=O)c1cccc(F)c1C#N)CC(C)(C)C 1556209908 IGTSODVJKQACIO-LBPRGKRZSA-N 290.382 3.890 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(Cl)ccc(F)c1C(=O)O 1588691142 SGSBLGDJCBZVDU-MRVPVSSYSA-N 299.729 3.718 30 20 CHED COC1(CNCc2ccc(C#N)cc2F)CCCCCC1 1658725365 PLOWZHBPEWCUNQ-UHFFFAOYSA-N 290.382 3.526 30 20 CHED C[C@@H]1CC(C)(C)CN1Cc1ccc(Cl)cc1C#N 1654747587 ZQRMNTZKGRZDBU-LLVKDONJSA-N 262.784 3.832 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 1667341143 BXCLVZVRCPARNF-DZGCQCFKSA-N 291.782 3.768 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2c(C)cccc2C)CC1 1776162125 PUSVZMSCGUKUQJ-UHFFFAOYSA-N 287.403 3.546 30 20 CHED C=C1CCN(c2c(C(=O)O)cnc3c(C)cc(C)cc23)CC1 1776145637 HTPDYFSVWQTSFE-UHFFFAOYSA-N 296.370 3.706 30 20 CHED C[C@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)C[C@H]1C 1776062692 GBDFCNAKGJEXNP-VHSXEESVSA-N 278.327 3.748 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@@H](C)c2ccc(F)cc2)C1 1776153539 IMHHMJYZPUIOJA-GUYCJALGSA-N 291.366 3.630 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCOC3(CCCCC3)C2)n1 161922626 GRROXNAANOJZMC-OAHLLOKOSA-N 285.391 3.556 30 20 CHED CCCC[C@H](COC)Nc1ccccc1O[C@@H](C)C#N 162261579 FWWCPXAGTCULFG-UONOGXRCSA-N 276.380 3.595 30 20 CHED CCSCC[C@@H](C)Nc1cc(C#N)cc(Cl)n1 160660421 CDCDSCIXFKENNF-SECBINFHSA-N 269.801 3.550 30 20 CHED COc1cccc(/C=N\[C@H](C)c2ccccc2)c1O 166363631 GLKLLGLTBKQCOA-ZSAINHDTSA-N 255.317 3.581 30 20 CHED C=C(Br)CN[C@H](C)C(C)(C)c1ccccc1 167346608 NRMOKMXNLNUJKK-GFCCVEGCSA-N 282.225 3.851 30 20 CHED CC(C)CC1(CNCc2ccc(O[C@H](C)C#N)cc2)CC1 152855887 SCCQMKKAILIVJA-OAHLLOKOSA-N 286.419 3.893 30 20 CHED C[C@H](Nc1ccc(NC(=O)CC#N)cc1)c1ccccc1 153716929 JTPRUBPGVPFIBL-ZDUSSCGKSA-N 279.343 3.712 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(C#N)c(Cl)c2)C1 157575065 CBDLNMXUZINAAT-VXGBXAGGSA-N 290.794 3.862 30 20 CHED C=CCCCCCN(C)C(=O)c1c(F)cc(F)cc1F 157221070 UKLUOMLXHFWWPM-UHFFFAOYSA-N 285.309 3.922 30 20 CHED CC[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 157232198 HWCWORHZKBTZAE-LBPRGKRZSA-N 290.794 3.864 30 20 CHED CC(C)C[C@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 157796075 XQKLACBODGQWEA-GFCCVEGCSA-N 290.794 3.720 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccccc1O 5549053 SKKGIEHYQMPGHY-VAWYXSNFSA-N 268.312 3.687 30 20 CHED Cc1cc(C)cc(OCCOc2ccccc2C#N)c1 11944287 BERNSBZDFZLKGT-UHFFFAOYSA-N 267.328 3.633 30 20 CHED C=C(CC)CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 834904039 USZNWFBQXARPGK-LSDHHAIUSA-N 296.455 3.578 30 20 CHED CCCSC[C@H](C)Nc1cccc(OCC#N)c1 1120037578 HPQDWVJQKPFKIH-LBPRGKRZSA-N 264.394 3.533 30 20 CHED N#Cc1ncccc1NCc1ccccc1C(F)(F)F 129994263 SRAUROJTWIRYPR-UHFFFAOYSA-N 277.249 3.584 30 20 CHED N#Cc1cccnc1N[C@H]1CCSc2ccccc21 24013436 BCMQKJKJYVKHJZ-ZDUSSCGKSA-N 267.357 3.602 30 20 CHED N#Cc1ccc(N2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 36886762 SBVREGRQVBTYNV-ZIAGYGMSSA-N 258.340 3.714 30 20 CHED N#Cc1cc2c(nc1NCc1ccccc1Cl)CCC2 42245760 PPSVAHWIEKWCKH-UHFFFAOYSA-N 283.762 3.707 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1Cl 63021694 MRJOLEJSQLCNAH-UHFFFAOYSA-N 288.709 3.912 30 20 CHED COc1cc(NCc2ccc(C#N)cc2)ccc1Cl 193320741 DTWSSWXBHNIAHY-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1ccc([C@@H](O)COc2cc(Cl)ccc2C#N)cc1 402451596 SWXNKRGQRBOGCS-HNNXBMFYSA-N 287.746 3.633 30 20 CHED C=C(C)CCSc1nccn1Cc1ccccc1 505433776 SJFPGPKYJGWRHA-UHFFFAOYSA-N 258.390 3.990 30 20 CHED CC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 404249647 INOQHNBMHQTBMO-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED N#CCCC1CCN(C(=O)Nc2ccccc2Cl)CC1 335385365 WJFMDJMVGWRRKF-UHFFFAOYSA-N 291.782 3.888 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1ncc(C#N)cc1Cl 361288292 MZCQVUPCYFTYJK-VHSXEESVSA-N 251.761 3.843 30 20 CHED C=C[C@H]1CCCCN1c1ccc(C#N)cc1Br 486477385 HRIKNDYPDUHTCT-LBPRGKRZSA-N 291.192 3.866 30 20 CHED Cc1nc(N2CCCC[C@@H]2C(C)C)c(Cl)cc1C#N 396116801 XKZVEEZGYABFJQ-CQSZACIVSA-N 277.799 3.930 30 20 CHED C=CCCC[C@@H](C)NCc1nn(CC)c2ccccc12 398205585 XYMLPVPGBHWCGX-CQSZACIVSA-N 271.408 3.891 30 20 CHED CC[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C)C(C)C 105754054 XRFBWBVLYFCWFG-UONOGXRCSA-N 297.402 3.822 30 20 CHED C=C(Cl)C[S@@](=O)Cc1csc(CCC(C)C)n1 101719930 DUTNOOBQFMOTBZ-KRWDZBQOSA-N 291.869 3.733 30 20 CHED CCOc1ccc(OCCCC(C)(C)C#N)c(C=O)c1 177246840 PTPQZQADCILBIY-UHFFFAOYSA-N 275.348 3.607 30 20 CHED N#Cc1cccnc1N[C@@H]1C[C@H]1c1ccc(Cl)cc1 107672646 GLYZQLIGMZPKFJ-UONOGXRCSA-N 269.735 3.575 30 20 CHED C=C(C)CSc1nnc(-c2c[nH]c3ccccc23)o1 22742234 LFYASLALCGBXFI-UHFFFAOYSA-N 271.345 3.886 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2cc(F)cc(F)c2)n1 51600694 HPCZUEVKEWCSGC-UHFFFAOYSA-N 287.313 3.503 30 20 CHED CCCCC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 58498979 ARIIQVADWIDCRO-UHFFFAOYSA-N 298.308 3.639 30 20 CHED CCOc1cccc(/C=N/[C@@H]2CCC[C@@H](SC)C2)c1O 117107674 QQWWBWASQFULGJ-HBPRWMASSA-N 293.432 3.884 30 20 CHED CC(C)[C@H](CCc1ccccc1)NCCCCC#N 178647964 XISMZVZTIZXBEY-KRWDZBQOSA-N 258.409 3.927 30 20 CHED C=C(Cl)C[S@](=O)Cc1c(C)cc(C)cc1C 67224443 CEQUXMOVZTWSAS-MRXNPFEDSA-N 256.798 3.613 30 20 CHED CCc1ccsc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 116810922 RIKCJBYCGOTYSK-XHDPSFHLSA-N 276.405 3.513 30 20 CHED CC(C)(NCc1cc(C#N)cs1)c1ccc(F)c(F)c1 175987359 BUYNGFKFUYMXQW-UHFFFAOYSA-N 292.354 3.923 30 20 CHED CC[C@H](OC(=O)c1ccccc1OCC#N)c1ccccc1 113479754 ZWZVVRLATSHCQE-INIZCTEOSA-N 295.338 3.897 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCC[C@H]1C 178569799 MBDYTXQEVRCLQB-BXUZGUMPSA-N 271.364 3.567 30 20 CHED CC(C)CCO[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 66014997 KSWSRGWTWJNRNY-NSHDSACASA-N 294.782 3.601 30 20 CHED C=C(C)CNC(=S)N[C@@H](CC(C)C)c1ccccc1 60544454 MZKRTMYWZVJDLT-HNNXBMFYSA-N 276.449 3.814 30 20 CHED Cc1ccc2oc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)cc2c1 116808752 PPYVPWUXZFXMBN-FZKQIMNGSA-N 296.370 3.944 30 20 CHED C[C@@H](CC(=O)Oc1ccc(C#N)cc1)c1cccc(F)c1 115970307 UETBVMRIFMHYGR-LBPRGKRZSA-N 283.302 3.797 30 20 CHED C=CCC[C@H](NCc1ccc([C@@H](C)O)cc1)C1CC1 178679136 MFUPJKRJXFELEC-DYVFJYSZSA-N 259.393 3.574 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 176904333 PTUFLWVOXHABAD-HOCLYGCPSA-N 261.409 3.936 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CCC[C@@H](C)C2)c1 302114962 RCCBXMONUARKEF-ABAIWWIYSA-N 256.349 3.751 30 20 CHED Cc1cc(CNc2ncccc2C#N)ccc1Cl 302157383 WUTIZPYWHSZDQP-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(C#N)c(C)n2)cc1Cl 172004605 UIQPZHLDKBVOFI-UHFFFAOYSA-N 299.761 3.500 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)ccc1Br 127844410 CFNUYZLTGKGROC-UHFFFAOYSA-N 296.208 3.796 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(C#N)cc1)CO2 63412001 VGFPPQVSGMJWPB-SXGWCWSVSA-N 289.334 3.834 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC1CC=CC1 125047228 PECAZHWHRIYEGI-UHFFFAOYSA-N 252.239 3.708 30 20 CHED N#Cc1ccc(CSc2ccc([N+](=O)[O-])cc2F)cc1 185158984 KILBORBFOIULJG-UHFFFAOYSA-N 288.303 3.898 30 20 CHED CC[C@H](C)CC(=O)Nc1cc(C#N)ccc1OC(C)C 189977427 VYPABEJLMRNCLU-LBPRGKRZSA-N 274.364 3.720 30 20 CHED C=CCC1(C(=O)NCc2ccccc2CC)CCC1 187994889 LYERRRKEJXBIGY-UHFFFAOYSA-N 257.377 3.612 30 20 CHED CC(=O)Nc1cccc(CNc2cc(Cl)ccc2C#N)c1 301292729 VRWLKMJIMIEYHK-UHFFFAOYSA-N 299.761 3.782 30 20 CHED COc1ccc(CC[C@H](C)NCc2ccc(C#N)cc2)cc1 79720637 NGIREXOXQOMKKY-HNNXBMFYSA-N 294.398 3.678 30 20 CHED C=C(C)[C@@H](NCCCC(=O)OCC)c1ccc(F)c(F)c1 187771669 XLQVIEFXNDPSPT-MRXNPFEDSA-N 297.345 3.515 30 20 CHED CN(Cc1ccccc1C(F)(F)F)C[C@@H](C#N)CCC#N 73895257 HSLCZTMYXPCMOE-GFCCVEGCSA-N 295.308 3.581 30 20 CHED CCC(CC)CN(CC)C(=O)c1ccc(Cl)c(C#N)n1 685939903 WWUQIJPHRNLWHP-UHFFFAOYSA-N 293.798 3.505 30 20 CHED Cc1cc(C#N)ccc1OCCCCC(F)(F)F 154301518 LZKAHWWXJYLPPL-UHFFFAOYSA-N 257.255 3.978 30 20 CHED CCC[C@H](NC(=O)C1(C#N)CCCCC1)C1CCCC1 411124265 VTINNCXOCXCPNW-HNNXBMFYSA-N 276.424 3.936 30 20 CHED CC(C)[C@H]1CN(CCC2(C#N)CCCCC2)CCCO1 411772883 ROVVLWCKNLREFX-MRXNPFEDSA-N 278.440 3.597 30 20 CHED CC(C)[C@@H](COCc1ccccc1)NCC(C)(C)CC#N 414159706 BRRDCLKRYXUBKH-QGZVFWFLSA-N 288.435 3.757 30 20 CHED C=CCCCSCCC(=O)N1CCOc2ccccc21 507117119 SIYVYGNIJSECSU-UHFFFAOYSA-N 291.416 3.502 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 129188758 UXXOQNGRRFYKKD-KGLIPLIRSA-N 298.292 3.579 30 20 CHED N#CCOc1ccc(N[C@@H]2CCc3c(F)cccc32)cc1 214682150 ZOAOUBKYZVXTRH-QGZVFWFLSA-N 282.318 3.827 30 20 CHED COCCCOc1cccc(CNc2ccc(C#N)cc2)c1 127417759 ALQDZHFHOIKYRU-UHFFFAOYSA-N 296.370 3.586 30 20 CHED Cc1cc(CN2CCC[C@@H]2c2ccc[nH]2)ccc1C#N 488187612 VWXUOMSHGAZAMY-QGZVFWFLSA-N 265.360 3.532 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1sc(Cl)nc1C 121729566 AUAURJVBCDBGDP-UHFFFAOYSA-N 299.827 3.697 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1cccc(Cl)c1Cl 128150391 RWXHLEPTDJQJCA-VIFPVBQESA-N 287.190 3.709 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)SCCC#N)c(Cl)c1 413010678 HFEFDURDUSPZBH-SNVBAGLBSA-N 282.796 3.622 30 20 CHED C=C[C@H]1CCCCN1Cc1csc(-c2ccco2)n1 489488518 AGQNVYRQUUTDFC-ZDUSSCGKSA-N 274.389 3.944 30 20 CHED CC#CCCCC(=O)N(c1ccc(C)cc1)C(C)C 185590758 BNTKBYCYADTVLP-UHFFFAOYSA-N 257.377 3.930 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccc(F)cc2C#N)c1F 213314189 LZJDOWIVHQUMAP-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(C)c1Cl 72581815 PMWZGVFRWMOGIX-SNVBAGLBSA-N 252.745 3.735 30 20 CHED N#CCCSc1ncc(C(F)(F)F)cc1Cl 72205565 RDIUQJTUMAYEHG-UHFFFAOYSA-N 266.675 3.760 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCc1ccccc1 42142142 NHCYTHBWNORFQM-AWEZNQCLSA-N 275.417 3.509 30 20 CHED Cc1cc(C)c(C#N)c(NCc2cc3ccccc3o2)n1 76799484 CFCRWIAWIMMGPU-UHFFFAOYSA-N 277.327 3.928 30 20 CHED Cc1ccc(C[C@H](C)Nc2ncc(C#N)cc2F)s1 413155236 MAHKOTDVCDKHNO-VIFPVBQESA-N 275.352 3.505 30 20 CHED CO[C@H](CNc1nc(C)cc(C)c1C#N)c1ccc(F)cc1 75056051 FHNVMIGYHXYSLI-MRXNPFEDSA-N 299.349 3.509 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1(C#N)CCC1 419015227 BBNWNABBIBUASP-UHFFFAOYSA-N 279.727 3.662 30 20 CHED COc1ccc(O)c(/C=N/CCc2cc3ccccc3[nH]2)c1 135056218 IPUWLZFRCICQPT-XDHOZWIPSA-N 294.354 3.544 30 20 CHED C[C@H](C/C(O)=N/[C@@H]1CCc2nc[nH]c2C1)C1CCCCC1 329631213 VUWBIPJBRSWJBE-TZMCWYRMSA-N 289.423 3.830 30 20 CHED C=CCCCCNC(=O)NCc1cnccc1C(C)(C)C 413463580 XTNYESNGGHXAKK-UHFFFAOYSA-N 289.423 3.535 30 20 CHED Cc1ccc(-n2cc(N[C@@H]3CCC[C@@H](C#N)C3)cn2)c(C)c1 193336797 OKTIDFWJWXNFNL-HZPDHXFCSA-N 294.402 3.983 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(OC(C)(C)C)cc1 410824811 DQVRTRLWXTZNGE-AWEZNQCLSA-N 288.391 3.628 30 20 CHED C=C[C@@H](CC(=O)NCC(C)(C)SC)c1ccccc1 137019477 XBYPZTSOLVUARM-ZDUSSCGKSA-N 277.433 3.604 30 20 CHED OC(=Nc1ccc2nc(C3CC3)oc2c1)N1C[C@H]2CCC[C@@H]21 329920953 HFRDKEJIFBZQCI-RISCZKNCSA-N 297.358 3.735 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1cc(Cl)ccc1O 199491210 BJLBUIYKSNQHQA-XQRVVYSFSA-N 274.703 3.647 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H]2CCC[C@@H]21)c1ccccc1 428167468 QQTTUKIVLNDFLE-PVAVHDDUSA-N 269.388 3.747 30 20 CHED COCCOc1ccccc1/C=C/C(=O)c1ccccc1 83522370 CUCXPOHIQJBXAC-VAWYXSNFSA-N 282.339 3.608 30 20 CHED N#CCCCC[S@@](=O)c1cc(Cl)ccc1Cl 84259615 XECMTRWOBDFIPJ-INIZCTEOSA-N 276.188 3.795 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2ccc(Cl)cc21 424623939 ICXTWCFRRPJMFR-UHFFFAOYSA-N 263.768 3.831 30 20 CHED C[C@]1(C#N)CCCN(CCSc2ccccc2F)C1 612161765 DNSNJQGGRFPDFS-OAHLLOKOSA-N 278.396 3.543 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H](C)c1ccccc1 426025498 ZOPVGNFFPRHUPW-YQQAZPJKSA-N 286.419 3.929 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425469565 SKQVEXBTUAOSPX-UNEWFSDZSA-N 299.418 3.839 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(C)cc1O 45055110 NWBNGBBLWMTINK-UHFFFAOYSA-N 283.327 3.518 30 20 CHED CCc1ccc(CNc2nccc(C#N)c2Cl)s1 227831967 BURQCOYSJYWVOQ-UHFFFAOYSA-N 277.780 3.843 30 20 CHED Cc1ccc([C@H](C)Nc2ncc3c(c2C#N)CCC3)o1 425202658 QCTVNWNZWPDIDR-NSHDSACASA-N 267.332 3.517 30 20 CHED CC(C)c1ccc(C(=O)COc2ccccc2C#N)cc1 47915362 ZWPFNCWJGROPML-UHFFFAOYSA-N 279.339 3.943 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 424730930 FDSZBLXPCMSXBU-LBPRGKRZSA-N 291.366 3.506 30 20 CHED COc1ccc(CN2CCC[C@@H]2C(C)(C)C)cc1C#N 610992435 DEQHPXGXOPMCSF-MRXNPFEDSA-N 272.392 3.577 30 20 CHED C=CCNc1ccccc1NC(=O)C[C@@H]1C=CCC1 89105006 NWWRHIUNZSYIHS-CYBMUJFWSA-N 256.349 3.579 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)CCC 81731491 IMQAMLUGRJYDCC-LBPRGKRZSA-N 273.380 3.755 30 20 CHED Cn1cc(CNc2cccc(OC3CCCC3)c2)cc1C#N 190822940 LEGXJHUGOLCKHD-UHFFFAOYSA-N 295.386 3.830 30 20 CHED CCCCCCCCC[S@](=O)[C@H]1CCO[C@@H]1C 191199212 LXALCWSIVDPXKO-KEYYUXOJSA-N 260.443 3.663 30 20 CHED Cc1c(C#N)cccc1NCc1nccn1-c1ccccc1 191463125 GHIJSTZMDAARDK-UHFFFAOYSA-N 288.354 3.665 30 20 CHED CCC(=O)c1cccc(N=C(O)N[C@H]2CC[C@@H](C)C2)c1 331290548 JYIVZJWXVMNIRO-RISCZKNCSA-N 274.364 3.603 30 20 CHED CCC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1OCC 195263593 LLLOFTIHNPLRSK-GFCCVEGCSA-N 274.364 3.722 30 20 CHED C[C@@H](C(=O)N1CC[C@@H]1c1ccccc1)c1cccc(C#N)c1 336524645 WVOIDLNPQYYPRB-RDTXWAMCSA-N 290.366 3.635 30 20 CHED CC(C)(NCc1cccc(C#N)c1F)c1ccccc1F 429235960 KNRRSMHIAMVYJP-UHFFFAOYSA-N 286.325 3.861 30 20 CHED CCC1(/N=C(/O)c2cc(C(C)C)oc2C)CCOCC1 330608458 QNCQZVNAFWIUHW-UHFFFAOYSA-N 279.380 3.975 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccc(C3CCC3)cc2)C1 339363377 SXISGRAAAJOWHL-RHSMWYFYSA-N 254.377 3.736 30 20 CHED C[C@@H]1CCN(C(=O)Nc2cccc(CC#N)c2)C[C@H](C)C1 334981733 IEJXJKKFKLMWCY-ZIAGYGMSSA-N 285.391 3.653 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(C2(CCC)CCC2)no1 420525486 YDVFEYSGIUTPDK-CHWSQXEVSA-N 276.380 3.740 30 20 CHED N#CCCCOc1cccc(CN2C[C@H]3CCC[C@H]3C2)c1 93443137 QLEQAYFRTQMOFW-CALCHBBNSA-N 284.403 3.601 30 20 CHED C[C@H]1SCC[C@@H]1Nc1ccc(Br)cc1C#N 235610676 YUVJMXXWPYXTBN-KCJUWKMLSA-N 297.221 3.627 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)NCCC(C)(C)C 510888273 PFVSKOUVGJMQOX-UHFFFAOYSA-N 289.379 3.515 30 20 CHED N#CCN(C(=O)c1cc2cccc(Cl)c2s1)C1CC1 335363784 WAEKMORKRAZSFY-UHFFFAOYSA-N 290.775 3.683 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)c1ccncc1F)c1ccccc1 338187144 WPURRVCDNUIRGC-ZIAGYGMSSA-N 298.361 3.758 30 20 CHED CCN(Cc1ccc(C)cc1Cl)C[C@@H](C)C#N 233467017 CUFFDUMVIDXCEB-LBPRGKRZSA-N 250.773 3.630 30 20 CHED Cc1c(C(=O)Nc2ccc(C#N)cc2)ccn1C(C)C 336511481 CDWVJRSYJQXJIB-UHFFFAOYSA-N 267.332 3.501 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCC2(CC#N)CC2)c1 431055535 YBMDXGIKJISFLW-OAHLLOKOSA-N 299.418 3.700 30 20 CHED CC1(C)CCc2ccccc2[C@H](NCCCC#N)C1 436281180 FVMVOSVNFUIBSU-MRXNPFEDSA-N 256.393 3.984 30 20 CHED C=CCC[C@@H](N[C@H](COC)C1CC1)c1ccccc1 90580620 RCUGBBCJZMZBTJ-IAGOWNOFSA-N 259.393 3.709 30 20 CHED Cc1cc(Oc2nccc(C#N)c2Cl)ccc1F 235902892 XGOOTPOXOMJPAV-UHFFFAOYSA-N 262.671 3.847 30 20 CHED CC(C)(C)CNCc1cccc(OCCCC#N)c1 236621388 PXUAVTOTDZXGIN-UHFFFAOYSA-N 260.381 3.505 30 20 CHED C=CCSCCN[C@@H]1CCCc2cc(OC)ccc21 180455189 ZYUGKZQOWDZFCX-MRXNPFEDSA-N 277.433 3.581 30 20 CHED N#CCc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 247744757 PFVZTXQLCKNPKO-UHFFFAOYSA-N 293.301 3.625 30 20 CHED C[C@@H](CNCc1ccc(C#N)cc1)c1ccc(F)cc1 520213548 GVYWZYYXYSPXTD-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED CC[C@@H](C(=O)NCC1(CC#N)CC1)C1CCC(C)CC1 431169380 UYEXDRFJJCUPCH-YMAMQOFZSA-N 276.424 3.649 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1scc(C)c1C#N 521893858 ASOXBXSDQWOMOC-LLVKDONJSA-N 279.409 3.971 30 20 CHED C[C@H](CC(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1 345903350 JJLCXTKUIJMHIU-CYBMUJFWSA-N 290.382 3.765 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(C#N)cc2)CCC1 340918473 WDPDUKSYTCLTCN-UHFFFAOYSA-N 256.349 3.713 30 20 CHED C=CCOc1cccc(CN2CCC[C@@H]2c2ccncc2)c1 348933129 HTYFGPIGIIWUQF-LJQANCHMSA-N 294.398 3.984 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@H](SC)C1)C1CC1 438990110 HPXPCDFKGUDIFM-KKUMJFAQSA-N 253.455 3.995 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(F)c1SC 341617926 CQKFJQLQMACMCN-SNVBAGLBSA-N 267.369 3.632 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CSc2ccccc21 436412988 SLYAFCVISSJJOD-CQSZACIVSA-N 277.352 3.689 30 20 CHED CCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 347649928 JRONJRRLBCASIO-UHFFFAOYSA-N 296.345 3.949 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[C@H]1C1CC1 436304246 XYNIESGWQLNFSJ-RYQLBKOJSA-N 266.388 3.714 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C[C@@H]1CC[C@@H](C)C1 602386353 JLLOCNQQTKVNNO-TZMCWYRMSA-N 288.366 3.817 30 20 CHED C=CCCOCCCCC(=O)N(C1CCC1)C1CCC1 346739634 VZFJQUBPJLHBOQ-UHFFFAOYSA-N 279.424 3.683 30 20 CHED COc1ccc(C)cc1NCC#Cc1ccc(F)cc1 433430813 NYENKXWYRQBDQP-UHFFFAOYSA-N 269.319 3.606 30 20 CHED CC(C)Cn1ccc2c(C(=O)N[C@H](C#N)C(C)C)cccc21 343631502 QZOFKTBESDHTEM-MRXNPFEDSA-N 297.402 3.575 30 20 CHED CCN(C(=O)CCC(C)(F)F)[C@H](C)c1ccc(C#N)cc1 603737845 WUKAEBZVYPNKCN-GFCCVEGCSA-N 294.345 3.903 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cccc(Cl)c1Cl 538198740 STCWYUMHVWJKQT-GHMZBOCLSA-N 288.218 3.829 30 20 CHED CCN(C(=O)c1cc(C)[nH]c1C)[C@@H](C)c1ccc(C#N)cc1 603618792 OIIAOCWEEZTPGN-AWEZNQCLSA-N 295.386 3.727 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(COC(C)C)cc1 528180994 XHGXLCLUJRJUQQ-UHFFFAOYSA-N 288.391 3.880 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)CCc2c(O)cccc21 255590628 UVLDEDJPAYMJRQ-KAMYIIQDSA-N 292.334 3.540 30 20 CHED CSc1ccc(CN2CCC(CC#N)CC2)cc1 540992976 DUVJLVMFJVQAGN-UHFFFAOYSA-N 260.406 3.534 30 20 CHED Cc1cc(COc2cccc(C)c2[N+](=O)[O-])ccc1C#N 447290944 BEGPMYYXYIKDEK-UHFFFAOYSA-N 282.299 3.662 30 20 CHED Cc1nsc(NCCCSCC(C)C)c1C#N 342723296 JRVGCPFPDWYYAQ-UHFFFAOYSA-N 269.439 3.514 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2c(F)cccc2F)c1 255057682 VETFPGKNVMYNTC-FPLPWBNLSA-N 269.250 3.733 30 20 CHED C=CC[C@H](C)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 602549479 COPXCWXILWBMFZ-VIFPVBQESA-N 288.269 3.668 30 20 CHED C[C@H](C#N)CN(C)Cc1csc(CCc2ccccc2)n1 440321794 AIMYRGMLRQENOF-CQSZACIVSA-N 299.443 3.520 30 20 CHED COc1cccc(/C=N\CCc2cc3ccccc3[nH]2)c1O 255736364 QJVPUSGVODBVGS-UNOMPAQXSA-N 294.354 3.544 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc2ccsc12 354785474 HXPOIQRMNNYXRL-LLVKDONJSA-N 273.361 3.715 30 20 CHED CC[C@H](CNC[C@@H](C)CCC#N)Oc1cccc(C)c1 602519416 DWBMVMLQVPYIIC-JKSUJKDBSA-N 274.408 3.682 30 20 CHED O=C(NCC#Cc1ccccc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 535906572 OLBXXIDBXSCIIA-CEXWTWQISA-N 295.426 3.761 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(F)cc(Cl)c1 537224279 LZXWUZPTAIEQEN-JTQLQIEISA-N 269.747 3.954 30 20 CHED N#CCCCOc1cccc(CN2CC[C@H](CC3CC3)C2)c1 354525677 KNDWEDUFCMHUBF-GOSISDBHSA-N 298.430 3.991 30 20 CHED COc1ccc(CC[C@@H](C)NC[C@H](C)CCC#N)cc1 602523648 DSSXYCNOVYRNFR-HUUCEWRRSA-N 274.408 3.546 30 20 CHED Cc1nc(N[C@@H]2c3ccccc3O[C@H]2C)c(Cl)cc1C#N 359980246 BKZSKUAMRBAYDO-BONVTDFDSA-N 299.761 3.849 30 20 CHED C=CCN(CC=C)[C@H](CN[C@H](C)c1ccoc1)C(C)C 531940643 CRKUIZHHKNYMDR-NVXWUHKLSA-N 276.424 3.629 30 20 CHED Cc1cc(O)c(CN[C@@H](C)c2ccc(C#N)cc2)cc1C 266202025 LKRNMRMNEVSQMT-AWEZNQCLSA-N 280.371 3.732 30 20 CHED C=CCOCCCOc1ccc(F)cc1OC(C)C 358589338 NANGASSFRZZWCS-UHFFFAOYSA-N 268.328 3.584 30 20 CHED Cc1cccc2nc(COc3cc(Cl)ccc3C#N)cn12 358919083 ALGYVDQNYLDWFS-UHFFFAOYSA-N 297.745 3.747 30 20 CHED C[C@H](NC(=O)[C@]1(C)CCC[C@@H]1C)c1ccc(C#N)cc1 448666136 SUCUSOIOEAUXCT-GDZNZVCISA-N 270.376 3.562 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 352248872 DRTNFPFEAGNVJF-WBMJQRKESA-N 288.366 3.635 30 20 CHED CCSCC[C@H](C)N(C)CC#Cc1ccc(F)cc1 440368730 UJDVPDJXINHUFL-AWEZNQCLSA-N 279.424 3.641 30 20 CHED CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1F 355548573 UMPFAKQTOKCYTH-HNNXBMFYSA-N 296.345 3.876 30 20 CHED CN(C(=O)c1cc(C#N)cs1)[C@H]1CCCc2ccccc21 530731427 TZADBSQHSXIFCS-HNNXBMFYSA-N 296.395 3.769 30 20 CHED C[C@H](C#N)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 354761413 MISQJFGBARZSFB-ZIAGYGMSSA-N 270.376 3.536 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/CCOCC1CC1 264566534 SNCVLAXNMHGNTD-FRKPEAEDSA-N 288.174 3.545 30 20 CHED C=CC(C)(C)CNCc1c(C)nn(CC(C)C)c1OCC 449486621 TWHYAKUNAZPAEK-UHFFFAOYSA-N 293.455 3.548 30 20 CHED C=C(CC)CSCC(=O)c1[nH]c(C)c(C(C)=O)c1C 358639780 UCPVESSTUKKMGA-UHFFFAOYSA-N 279.405 3.716 30 20 CHED C[C@H]1CC(C(=O)N(CCC#N)CC(C)(C)C)C[C@H](C)C1 355511520 PBGQQCOQDSCAQG-ZIAGYGMSSA-N 278.440 3.847 30 20 CHED CCCCc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1 448560821 CICNYMMCOHXAJJ-WBMJQRKESA-N 256.349 3.517 30 20 CHED CCc1ncsc1NC(=O)C[C@H](CC#N)c1ccccc1 356489765 OXOKGKUQOKNBRI-ZDUSSCGKSA-N 299.399 3.732 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(C(C)(C)C)s1 610784267 WMLLBFLAFRQTIB-NSHDSACASA-N 278.421 3.714 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1cnccc1C#N 354584596 GXJAVCNTPUQZHP-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#Cc1cnccc1/C=C\c1c[nH]nc1-c1ccccc1F 615856622 RJOKCYPACCZXDQ-WAYWQWQTSA-N 290.301 3.653 30 20 CHED C[C@@H](CNCc1ccc(C#N)s1)c1ccc(F)cc1 267217946 SDVAYIVDXHCJQJ-NSHDSACASA-N 274.364 3.652 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1cccc([N+](=O)[O-])c1 619744384 ZARUSASUMQBGLY-OAHLLOKOSA-N 284.340 3.822 30 20 CHED CC[C@@H](Cc1ccccc1Br)N(C)CCC#N 360787865 RLAMTNRBQFCMCM-ZDUSSCGKSA-N 295.224 3.616 30 20 CHED C=CCC1(C(=O)NC2CC(c3ccccc3)C2)CCC1 364581299 PGNPDTVBXFYWRV-UHFFFAOYSA-N 269.388 3.795 30 20 CHED N#CC1(CCCNc2cccc3cc[nH]c23)CCOCC1 539711808 ZYWTUFGKVQCWJV-UHFFFAOYSA-N 283.375 3.680 30 20 CHED CC(C)C[C@@H](C(=O)N1CCC(C#N)CC1)c1ccccc1 610124736 PMMLEXHYBZYTLV-QGZVFWFLSA-N 284.403 3.578 30 20 CHED CC(C)(C)OC(=O)Nc1ccc(Cl)c(C#N)c1 83502257 IGHNGMFKJRJVRX-UHFFFAOYSA-N 252.701 3.559 30 20 CHED C[C@@H](NC[C@H]1Cc2ccccc21)c1ccc(C#N)c(F)c1 611465620 FXEYZXHLQRMWIZ-MLGOLLRUSA-N 280.346 3.688 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](C)c1ccccc1SC 454926446 ZAMPAJHWWNXMQK-LBPRGKRZSA-N 292.448 3.981 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(CC2(C#N)CCC2)C1 450438526 KQCYFUMVYYIVHT-CZUORRHYSA-N 272.367 3.902 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCC[C@H]3OCC[C@@H]23)n1 613429490 LYBFUBMVBZVNCU-RRFJBIMHSA-N 299.418 3.620 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)[C@@H]1CCC[C@@H](C)C1 456985121 BUDXLAVHGFQHHR-NTZNESFSSA-N 276.405 3.564 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn([C@H](C)CC)c1C 361295741 QAYYNLOJDUXZNX-IAQYHMDHSA-N 263.385 3.703 30 20 CHED C#CC[C@@H](NC(=O)N1CCC2(CCC2)CC1)c1ccccc1 367796582 ZSRQAJWYCKHIBT-QGZVFWFLSA-N 296.414 3.727 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cc2ccc(C)cc2o1 453375302 WLDYAMQEAMBFJQ-DZGCQCFKSA-N 273.376 3.719 30 20 CHED CC(C)(CC#N)CNCc1ccc(Cl)c(F)c1 459688964 IJYQBLYGEMYDNP-UHFFFAOYSA-N 254.736 3.509 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 459103727 URCZWFAJIVHRDZ-SJORKVTESA-N 286.419 3.930 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 450499545 KLTDDRDQWVAKOL-NSHDSACASA-N 299.336 3.965 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1c1nccc(C)c1C#N 543206454 ZBPOUFHZXWEKGT-UKRRQHHQSA-N 257.381 3.667 30 20 CHED CC#CCCNC(=O)Nc1cc(Cl)c(C)cc1Cl 542700803 WDCSSQBDMMIPJZ-UHFFFAOYSA-N 285.174 3.837 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccccc1F)C(C)C 459001318 MXWCLGXUGDTHQO-UHFFFAOYSA-N 278.371 3.712 30 20 CHED C=CCC[C@@H](CCC)N1CCC[C@@]2(CCOC2)C1 453361650 KVXARWUOLKPXOG-HZPDHXFCSA-N 251.414 3.624 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 547726577 LLYVHICTCCHEFS-AWEZNQCLSA-N 290.794 3.720 30 20 CHED C=C[C@H](CC(=O)NCC1CC(C)C1)c1ccccc1 622239238 UIGWLKHHMZNQAD-YMAMQOFZSA-N 257.377 3.509 30 20 CHED Cc1cc(F)cc(-c2noc(-c3ccc(CC#N)cc3)n2)c1 547026754 BEFJIDHBDUKFRG-UHFFFAOYSA-N 293.301 3.917 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1cccc(OC)c1 620861144 COADFISCKRCJQK-ZDUSSCGKSA-N 275.392 3.660 30 20 CHED C=CCN(C(=O)c1ccccc1SCC)C1CC1 543451017 BTNRAYQKXNLUGV-UHFFFAOYSA-N 261.390 3.589 30 20 CHED COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@@H](C)CCC#N 279858065 FMNOYCBVGMVBKE-DZGCQCFKSA-N 291.416 3.505 30 20 CHED C=CCCN(C)C(=O)C[C@H](CC)c1ccc(C)cc1 467051244 MZOUXEZNILNDOW-HNNXBMFYSA-N 259.393 3.913 30 20 CHED C=CCCCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 468592500 VLZHFXNDZNUDOC-KAMYIIQDSA-N 274.364 3.944 30 20 CHED CCN(Cc1ccc(CC#N)cc1)Cc1cccc(F)c1 543138334 FGWADTHJSRZISK-UHFFFAOYSA-N 282.362 3.914 30 20 CHED Cc1ccccc1[C@H](C)Nc1cc(C)n(CCC#N)n1 271050672 WIYSXDVKHXLGBQ-AWEZNQCLSA-N 268.364 3.587 30 20 CHED C=CCCOCCNC(=O)[C@H](CC)C1CCC(C)CC1 461031609 UAPBFISBYAWCTK-UYSNPLJNSA-N 281.440 3.548 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(Cl)c(F)c1 466367618 XIRACOLCQVNNTQ-VIFPVBQESA-N 270.735 3.955 30 20 CHED C=C[C@@H](C)NC(=O)NC(c1ccccc1)c1ccccc1 464758690 YKIZSGKEFZYEDI-CQSZACIVSA-N 280.371 3.650 30 20 CHED C=CCCOc1ccccc1-c1ccc2c(c1)CCNC2 629735819 GYSPFJHROMTSPQ-UHFFFAOYSA-N 279.383 3.954 30 20 CHED CC#CCCCC(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 373875822 HRILQNYMXHSGFQ-SAZUREKKSA-N 291.341 3.521 30 20 CHED C=CC[C@@H](CC)NCc1nc2c(s1)C[C@@H](C)CC2 466402397 VRVQZKCXGRVPEV-NWDGAFQWSA-N 264.438 3.712 30 20 CHED Cc1cc(C)c(CC(=O)Nc2ccc(C#N)c(F)c2)c(C)c1 464634515 ASJPDYIEWPEZIO-UHFFFAOYSA-N 296.345 3.804 30 20 CHED C=CCN(CC=C)C(=O)C1(c2cc(C)cc(C)c2)CC1 463262748 QTONYIIVWKDPNR-UHFFFAOYSA-N 269.388 3.536 30 20 CHED C#CCC1(C(=O)N2CCCc3occc3C2)CCCCC1 289766833 PSMUSESZKPMCJJ-UHFFFAOYSA-N 285.387 3.528 30 20 CHED C[C@@H](CCNC(=O)c1cc(C#N)cs1)CC(C)(C)C 468075700 QOZPQKIIFXGGOY-NSHDSACASA-N 278.421 3.812 30 20 CHED CC[C@@H]1C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N 280610003 AFVVUMMSJSGKFJ-FZKQIMNGSA-N 290.366 3.754 30 20 CHED C=Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 559843915 IOVLBYAVYPFBHQ-AWEZNQCLSA-N 288.306 3.961 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(C#N)cc1Cl 469975123 SPFRCJGRLBKSCM-ZYHUDNBSSA-N 276.767 3.976 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2Cc2ccccc2)c1 466479156 QORQVGADSNRTMZ-HUUCEWRRSA-N 293.326 3.510 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 285157866 QQXOPLZRVISBRO-MLGOLLRUSA-N 274.364 3.742 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(OC)ccc1Cl 466377466 FCGBYUFJNVFRSO-SNVBAGLBSA-N 282.771 3.825 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1nc(C(C)C)oc1C 285322204 WUUNPDIZYHAGLF-UHFFFAOYSA-N 283.331 3.539 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccccc1SC)C1CC1 282578940 WHHOPJMSAWPYEF-GFCCVEGCSA-N 290.432 3.830 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 552245376 UZPTZHADJUOVAQ-WMZOPIPTSA-N 287.403 3.550 30 20 CHED CCN(CCCC1(C#N)CCOCC1)c1ccccc1C 281146732 BCHGEPNSHCBALM-UHFFFAOYSA-N 286.419 3.922 30 20 CHED C=CCCCCCCCCNC(=O)N(C)Cc1ccon1 287060181 UAHBVYSVSPVWMY-UHFFFAOYSA-N 293.411 3.733 30 20 CHED C=CCCCCNC(=O)N(C1CC1)[C@H](C)C(C)C 474091534 XGYROMKKLWCMCB-CYBMUJFWSA-N 252.402 3.561 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC2(c3cccc(C#N)c3)CC2)C1 556608282 MHZQWAOPMCFSAM-HALDLXJZSA-N 268.404 3.962 30 20 CHED CC(C)Oc1ccccc1[C@H](C)NC(=O)CC(C)(C)C#N 558424317 QERBXIOIPPQWPV-ZDUSSCGKSA-N 288.391 3.591 30 20 CHED C=CCCCCNC(=O)N1CCc2ccccc2[C@@H]1C 472839371 YYDBXMAZSIANEG-AWEZNQCLSA-N 272.392 3.672 30 20 CHED C[C@@H](CC#N)NC(=O)C(C)(C)c1cccc2ccccc12 294740307 OEQZPIQJERXFCA-ZDUSSCGKSA-N 280.371 3.536 30 20 CHED CC(CCc1ccc(C(F)(F)F)cc1)=NNCC(F)F 800813453 ZYJIKKKVOINQKV-UHFFFAOYSA-N 294.267 3.869 30 20 CHED CC[C@@H](Nc1ccc(C#N)c(Cl)c1)C1CCOCC1 470872596 SXVULUSIYPKXOA-OAHLLOKOSA-N 278.783 3.829 30 20 CHED C=CCCCCCCNC(=O)c1cc2ccccc2c(=O)o1 805219549 PCOYTMSDZHYIQQ-UHFFFAOYSA-N 299.370 3.659 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=CCCC1CCOCC1 807989436 INDRMFQWPXVSSP-UHFFFAOYSA-N 291.351 3.508 30 20 CHED O=C(C=NOCc1sccc1Cl)Nc1ccccc1 809377714 MGAXXQYWXNNZNQ-UHFFFAOYSA-N 294.763 3.543 30 20 CHED CC#CC(=O)N(CC=C(C)C)Cc1ccc(Cl)cc1 801305315 HYHXUJSNXNZXID-UHFFFAOYSA-N 275.779 3.658 30 20 CHED COCCCON=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2 807989469 UNQAFEHWQPFXKB-CALCHBBNSA-N 287.403 3.611 30 20 CHED COc1ccc(Cl)c(CSCCO[C@@H](C)C#N)c1 802750735 CFVAMRCGQVZXMX-JTQLQIEISA-N 285.796 3.510 30 20 CHED CC#CC(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 801195375 WBGLWWULCLYWAN-LLVKDONJSA-N 271.747 3.694 30 20 CHED C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)c1ccccc1 476254938 SIDURVSWTPGKPO-BLLLJJGKSA-N 298.773 3.825 30 20 CHED N#Cc1ccc(/C=C/c2ccnc3ccccc23)nc1 806567370 WOYGKFZRPXUPMZ-SOFGYWHQSA-N 257.296 3.672 30 20 CHED CCCC(CCC)C(=O)Nc1nn(C(C)(C)C)cc1C#N 297660745 JUQDOUHRIWEVCW-UHFFFAOYSA-N 290.411 3.665 30 20 CHED C=CCCN(C)C(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 646447681 IZPRSBPALMLTGR-AWEZNQCLSA-N 298.390 3.532 30 20 CHED C[C@@H]1C[C@H](NCc2ccc(OCC#N)cc2)c2ccccc21 808706017 WGXXRGDDCIWGJA-KUHUBIRLSA-N 292.382 3.927 30 20 CHED C#Cc1ccc(C(=O)O[C@@H]2CCc3c(Cl)cccc32)cn1 803338473 HKVNZLDMGJSEQL-MRXNPFEDSA-N 297.741 3.561 30 20 CHED CC[C@H](NCC1CC(F)(F)C1)c1ccc(C#N)cc1 293901399 ZQBIYRBUWIUROM-AWEZNQCLSA-N 264.319 3.644 30 20 CHED C#CCCCOc1cccc2cc(Br)cnc12 808269684 LTZDXVXMARWFTD-UHFFFAOYSA-N 290.160 3.790 30 20 CHED C[C@@H](NCC#Cc1ccc(F)cc1)C1CCCCC1 564288114 XKZQQDNZIFLPPN-CQSZACIVSA-N 259.368 3.736 30 20 CHED C#Cc1ccc(CNCc2cc(Cl)cc3c2OCC3)cc1 809639209 HZMVXYGKWNPOGK-UHFFFAOYSA-N 297.785 3.546 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(CC)cccc1CC 806124264 LXQPXTKBZRLPRR-HNNXBMFYSA-N 272.392 3.735 30 20 CHED N#CCCCCOC(=O)c1ccc(Cl)c2ncccc12 801443313 FZNSWFIJOKBTRN-UHFFFAOYSA-N 288.734 3.739 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(F)c(F)c2)no1 566704447 GAVZIHZIEFQREK-OAHLLOKOSA-N 278.302 3.792 30 20 CHED COc1cc(Cl)ccc1CN1CCCC(C)(C)[C@@H]1C#N 482857848 OSHHEVGTIPONJL-HNNXBMFYSA-N 292.810 3.863 30 20 CHED CC(C)[C@H]1N(Cc2ccc(O[C@H](C)C#N)cc2)CC12CCC2 814171018 HLUSRWMDFMQYAS-CRAIPNDOSA-N 298.430 3.988 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCc2ccccc2C1 568277253 SPDIWJIVVDNUOF-QGZVFWFLSA-N 298.430 3.580 30 20 CHED C[C@H]1C[C@@H](C)CN(Cc2ccccc2C(C)(C)C#N)C1 487357600 BDGQNKMPUHBHKV-GASCZTMLSA-N 270.420 3.966 30 20 CHED C=CCc1cc(CN2CCC(C)=C(C)C2)cc(OC)c1O 482453151 CBYRDYCGSFABSU-UHFFFAOYSA-N 287.403 3.671 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CC(=O)c2ccccc21 811590313 XGEILHJIMJFLLS-QGZVFWFLSA-N 299.414 3.999 30 20 CHED Cn1ncc(C=NNc2cccc3ccccc23)c1Cl 814823238 UGWQCEARZLTPHX-UHFFFAOYSA-N 284.750 3.673 30 20 CHED C[C@H]1SCCC1=NNCc1ccc(C(F)(F)F)cc1 814808232 ZRAIJQJYAQKZFK-SECBINFHSA-N 288.338 3.676 30 20 CHED C=CCN(CCOC)[C@H](C)c1cccc(Br)c1 484577056 SAYDAEAORWLZFT-GFCCVEGCSA-N 298.224 3.645 30 20 CHED C=CCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811497810 FFHSEBDLLIOECR-UHFFFAOYSA-N 289.162 3.957 30 20 CHED C[C@H]1COCC[C@H]1CNc1cc(C#N)ccc1C(F)(F)F 573311875 UFFTZBZNKIXGLW-JQWIXIFHSA-N 298.308 3.662 30 20 CHED CCc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)on1 571108780 PHIGIEVFHQPHAS-SFHVURJKSA-N 295.386 3.666 30 20 CHED CCc1ccc(C#CC(=O)Nc2cc(O)c(C)cc2C)cc1 816109709 KCFYTVSNAVKHOY-UHFFFAOYSA-N 293.366 3.562 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C 488874580 DJHSCEPABXWFCU-HYVNUMGLSA-N 269.388 3.666 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCC[C@@H](F)C2)c1C#N 572516292 OQDIZDNZQYSPCY-NXEZZACHSA-N 267.735 3.608 30 20 CHED CC[C@H](CC#N)N[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 576357418 ODTPCUWTCKNYPA-DZGCQCFKSA-N 298.390 3.696 30 20 CHED C=CCNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 483652725 JUQJDMZNAKAQQT-UHFFFAOYSA-N 288.297 3.939 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C 812198372 YDWYKERKGCZUFV-LESCRADOSA-N 298.430 3.609 30 20 CHED N#Cc1ccncc1N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 480575792 CYIIYRNGORINSQ-CJNGLKHVSA-N 281.334 3.841 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)CC1CCCC1 480790140 YNOYNBPFPASKDC-UHFFFAOYSA-N 262.784 3.834 30 20 CHED C=CC[C@H](C(=O)Nc1cnn(C(C)C)c1)c1ccccc1 577128380 JVYMQJFKHVMDDZ-INIZCTEOSA-N 283.375 3.762 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@]1(C)CC1(Cl)Cl 824774975 WJNCYYVLXUDLOE-HBNTYKKESA-N 250.213 3.761 30 20 CHED Cc1ccc(CCCCC(=O)N(C)CC(C)(C)C#N)cc1 497388290 LPVQAHIPDPOTJA-UHFFFAOYSA-N 286.419 3.716 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N1CCC(CCC#N)CC1 578535973 RRBPFMOLDHSCKZ-GOEBONIOSA-N 276.424 3.745 30 20 CHED C=CCCC1(c2nc(-c3nccc4[nH]ccc34)no2)CC1 579289565 YHHHCZZDJPKGBJ-UHFFFAOYSA-N 280.331 3.611 30 20 CHED Clc1ccccc1NN=Cc1nc(-c2ccccc2)no1 726417449 AFLCUBUMDGJSBP-UHFFFAOYSA-N 298.733 3.836 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc3c(c2)[C@H](O)CCCC3)C1 827024931 FKURODMXIYTWCD-SUYBPPKGSA-N 270.376 3.551 30 20 CHED C=CCCN(Cc1ccccn1)Cc1ccccc1C 574404238 MWQPAGSOAXEWEV-UHFFFAOYSA-N 266.388 3.968 30 20 CHED C=CCCC1(C(=O)N2CC[C@@](F)(c3ccccc3)C2)CC1 579618329 NHQJVUDLQUHCOI-SFHVURJKSA-N 287.378 3.830 30 20 CHED C#Cc1ccc(C(=O)OCc2ccc(C(C)(C)C)cc2)nc1 728803815 NQJYAPNCUSKLEB-UHFFFAOYSA-N 293.366 3.717 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(C)c(-c2ncco2)c1 491737926 MDEAMZVYWRSJRX-CYBMUJFWSA-N 297.358 3.573 30 20 CHED C=C(C)CN(C)[C@H](COC)c1ccc(Cl)cc1 490056174 BCHDPFCAOFNTRW-CQSZACIVSA-N 253.773 3.535 30 20 CHED Cc1nsc(Nc2ccc(COC(C)C)cc2)c1C#N 584372005 CDHBGPIRZGVNND-UHFFFAOYSA-N 287.388 3.992 30 20 CHED C#CCN(C(=O)N[C@H](C)c1oc2ccccc2c1C)C1CC1 491670201 DFGUXZJWJIAPDZ-CYBMUJFWSA-N 296.370 3.609 30 20 CHED CCCC(=O)c1ncccc1N(C)Cc1ccc(C#N)cc1 663384770 WIHBWZJKHSWAKF-UHFFFAOYSA-N 293.370 3.572 30 20 CHED C=C(Cl)COC(=O)c1sc(CC(C)C)nc1C 727914959 IAOQHMXMHZYPHC-UHFFFAOYSA-N 273.785 3.559 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccccc2Cl)c1 588476586 SWSQSWUYNVKWJU-SREVYHEPSA-N 257.720 3.940 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(CCCc2ccccc2)no1 903294034 PDUQEJIMFKGUEN-RDJZCZTQSA-N 298.386 3.694 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(CCC#N)CC(C)(C)C 494414993 WYWANDIUQMNBOW-CQSZACIVSA-N 278.440 3.991 30 20 CHED CC(=NNC(=S)Nc1ccccc1)C1CCCC1 733078182 URJWXVKGVAOECO-UHFFFAOYSA-N 261.394 3.539 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCC[C@@H]1CC 497610013 LUECFIGZKREDBX-GOEBONIOSA-N 290.407 3.598 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1cccc(C#N)c1 902979182 PLTOMYGNDURYSU-BZSNNMDCSA-N 284.403 3.580 30 20 CHED C=CCC1(N[C@@H]2CC[C@@H](C)[C@H](C)C2)CCOCC1 668550762 FTLNVJSOBGNANE-RBSFLKMASA-N 251.414 3.526 30 20 CHED Fc1ccccc1CNN=C1CC[C@H]2CNc3cccc1c32 835010702 ILZBICCRDQBSPB-ZDUSSCGKSA-N 295.361 3.623 30 20 CHED C=CC[C@H]1CCCN(Cc2ncc(Cl)s2)C1 661385915 QTWBMISCZKPBKY-JTQLQIEISA-N 256.802 3.585 30 20 CHED C=CC(C)(C)C(=O)OC[C@@H]1CCO[C@H]1c1ccccc1 835318166 ZFLADPQZYGUTPV-GJZGRUSLSA-N 274.360 3.520 30 20 CHED CSc1ccc(C)c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 839041475 BOLVQGQJLIGJSY-CHWSQXEVSA-N 289.400 3.956 30 20 CHED C#CCCCCCC=NNc1ccc(C(=O)O)c(F)c1 835009615 WHNNNDJDVMRGSO-UHFFFAOYSA-N 276.311 3.505 30 20 CHED Cc1cocc1C(=O)OCCCCC1(C#N)CCC1 909447311 PJZCJHDOYNUWOA-UHFFFAOYSA-N 261.321 3.609 30 20 CHED C#Cc1cccc(N(C)C(=O)C(C)(C)Cc2ccccc2)c1 735439104 GULXVCFVUIRJEL-UHFFFAOYSA-N 291.394 3.900 30 20 CHED C[C@H](C#N)N(Cc1cc(Cl)sc1Cl)C1CC1 595710868 VXPHLNNUACSXHI-SSDOTTSWSA-N 275.204 3.931 30 20 CHED COc1ccc(NC(=O)c2occc2C(C)C)cc1C#N 830412970 BRYDDLAAYVMCEV-UHFFFAOYSA-N 284.315 3.536 30 20 CHED CCCCCCCCCC(=O)N(C)c1cc(CN)ccn1 906222186 PAHBLZNDLKGJQJ-UHFFFAOYSA-N 291.439 3.644 30 20 CHED Cc1cc(F)ccc1-c1ccc(C=NNc2cccnn2)o1 735973240 FKEVBDODFPCGSM-UHFFFAOYSA-N 296.305 3.630 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)CCC(C)(C)C 737519475 IUNHGSZDXMADAI-UHFFFAOYSA-N 275.367 3.614 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)Nc1nnn(C)c1C 839943182 OZIWUUILRPCMQA-CYBMUJFWSA-N 294.443 3.839 30 20 CHED N#CCc1cc(-c2cccc(CO[C@@H]3CCOC3)c2)cs1 904796911 PGLOPEXRHAKNFK-MRXNPFEDSA-N 299.395 3.787 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc3c1OCO3)C2 730948838 MSJUNFTZEQCWJL-NTEUORMPSA-N 278.307 3.546 30 20 CHED CCCCSCCC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839055310 QEHYDNPGZIZBCN-CHWSQXEVSA-N 269.410 3.535 30 20 CHED C=C(CNCc1cc(OC)c(OC)cc1C)c1ccccc1 674375211 CEHQPBVOYSBOFV-UHFFFAOYSA-N 297.398 3.815 30 20 CHED Fc1cccc(F)c1NN=C1CCc2ccccc2C1 735614533 ACFQAKMTUJRTSI-UHFFFAOYSA-N 272.298 3.922 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]([C@@H]2CCCNC2)C1 831722067 RMSONBMAMVIMJA-SJORKVTESA-N 294.483 3.585 30 20 CHED CCc1ccc(CC/N=C/c2cc(OC)ccc2O)cc1 735978754 LBTNIJLSDIQQTR-CPNJWEJPSA-N 283.371 3.625 30 20 CHED O=C1/C(=C\c2cccs2)CCOc2cc(F)ccc21 588419505 QUPNPEGUFSJAGF-NTMALXAHSA-N 274.316 3.936 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(O)Cc1ccc(F)cc1 901374282 HWDGBGQPIQSBNV-TZMCWYRMSA-N 279.355 3.760 30 20 CHED C=CCOCCN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 679576145 INWXPMJYGGXTGI-HNNXBMFYSA-N 299.336 3.949 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)OCCCC(C)(C)C#N 837930544 FHCOFNIZLYAAQK-DOMZBBRYSA-N 251.370 3.686 30 20 CHED Fc1cc(-c2cccs2)ccc1C=NNc1cccnn1 735973692 QPSRNKSSTMFGGZ-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CC(=NNc1ncnc2sc3c(c12)CCC3)c1ccco1 916309380 JAOGIGIFJHIANE-UHFFFAOYSA-N 298.371 3.609 30 20 CHED C[C@H](C=NNc1ccc(C(=O)O)c(F)c1)C(C)(C)C 835009392 RWENZRYQYSZYSA-SECBINFHSA-N 266.316 3.604 30 20 CHED C[C@H](OC(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1cccc(C#N)c1 835132420 RZYNHDZIJIRMAV-VCOSZWKGSA-N 269.344 3.599 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C)CCC1(C)C 594043119 GEYAMZMAOQAALJ-ZIAGYGMSSA-N 284.403 3.526 30 20 CHED CC(C)CNN=Cc1ccccc1OCc1ccccc1 916365882 MEOXIJFXYSNSRS-UHFFFAOYSA-N 282.387 3.845 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc(F)c(C(=O)OC)c1 835011903 OEIIUEAMKFRJRN-SNVBAGLBSA-N 278.327 3.590 30 20 CHED Cc1ccc(-c2cnc(COC(=O)C#CC(C)(C)C)o2)cc1 838373118 WCTINMLMEAXEGP-UHFFFAOYSA-N 297.354 3.743 30 20 CHED COc1ccc(C)cc1/C=C1/Oc2cc(O)cc(C)c2C1=O 915988811 IBNKMZUXWHOCNY-LZYBPNLTSA-N 296.322 3.634 30 20 CHED N#CC1CCC(CNc2nccc3c(N)cccc23)CC1 596221202 BXSQVUMWHTWFPR-UHFFFAOYSA-N 280.375 3.559 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)N2CCC(CCC#N)CC2)C1 591942272 MEIUTNRCNVFVJC-GOEBONIOSA-N 291.439 3.681 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccc2c(c1)CCCCC2 593271453 BVUTUEUJRHZAOT-ZDUSSCGKSA-N 285.391 3.721 30 20 CHED Cc1cccc([C@@H](NCC2(C#N)CCC2)C(C)C)c1 599629747 LTJZQEQSQHWABK-INIZCTEOSA-N 256.393 3.976 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 597074840 GMEXEFXXZOHXSC-JYJNAYRXSA-N 276.424 3.647 30 20 CHED CO[C@@H](CNC1CCC(C)(C#N)CC1)C1CCCCC1 594996071 RIRJYTLZIZTYAH-CGZBRXJRSA-N 278.440 3.644 30 20 CHED CCCCCCCC(=O)NC[C@H](C)N1CCCC[C@@H]1C 915298390 LYVHETLVPUKONY-HOTGVXAUSA-N 282.472 3.726 30 20 CHED N#Cc1cc(-c2cccnc2OCC2CC2)ccc1F 596633978 BQJQGKIYVJRCNT-UHFFFAOYSA-N 268.291 3.548 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2c(cnn2C(F)F)c1 676600321 RAABHVZMIOYCKL-VIFPVBQESA-N 294.305 3.518 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(C#N)c(F)c2)C1 596911661 WCCSBPZCOHSOTK-VXGBXAGGSA-N 289.354 3.740 30 20 CHED N#CCC[C@@H](C#N)CN1CCC[C@H](C2CCCCC2)C1 595881729 VFFNCSGKGIFPQK-RDJZCZTQSA-N 273.424 3.722 30 20 CHED CCc1cc(NC(=O)N2CCC[C@@H](CC#N)C2)ccc1F 596906266 GHLGZRUKPUYVPY-LBPRGKRZSA-N 289.354 3.546 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1cccc(C)c1 915974902 LXGUBZUQUUGAJI-UHFFFAOYSA-N 274.314 3.787 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CC2CC2)cc1 916947975 CZGUJTZHWQNQIH-LRDDRELGSA-N 298.386 3.648 30 20 CHED Cc1ccc(NN=Cc2cnc(C3CC3)nc2)c(Cl)c1 841640736 IGCKNKXBEPFAKZ-UHFFFAOYSA-N 286.766 3.762 30 20 CHED C=C(C)CCOC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 744299630 IQRAXZBWLVXQEQ-MNOVXSKESA-N 266.287 3.578 30 20 CHED C=C(CNC(=O)CCCOc1ccccc1)c1ccccc1 672483227 XDVBIHWFYPYUKC-UHFFFAOYSA-N 295.382 3.675 30 20 CHED CCCC[C@@H](CC)CNC(=S)N1CCC[C@H](CC#N)C1 849272525 MQMXVYGDTULEBE-HUUCEWRRSA-N 295.496 3.703 30 20 CHED CC[C@H](Cc1ccccc1)NCCc1ccc(C#N)cc1 595060225 KRXNVJHEEXZHGE-LJQANCHMSA-N 278.399 3.712 30 20 CHED CCC#C[C@@H](C)Sc1nnc(NCc2ccco2)s1 677131518 NXEHQPVANSGZHD-SNVBAGLBSA-N 293.417 3.637 30 20 CHED CCON=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 912809092 NBGCTKXYUMUXRT-UHFFFAOYSA-N 276.317 3.694 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@H]3CCC[C@H]32)c1 741864710 NRTWSQYFOQPRMB-GDBMZVCRSA-N 284.428 3.629 30 20 CHED C#C[C@@H](OC(=O)[C@H](C)C1CC1)c1ccc(Cl)cc1F 842352988 HZQOKEVVQSDEHQ-YMTOWFKASA-N 280.726 3.743 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)CCCC2CC2)cc1 594031497 QQABEJHBKXCZSH-QGZVFWFLSA-N 284.403 3.852 30 20 CHED C[C@@H](CSc1ccccc1)N(C)C(=O)CC(C)(C)C#N 593219824 ZPSPVMKSYNQMGA-ZDUSSCGKSA-N 290.432 3.565 30 20 CHED Cn1cccc1C=NNc1nc(-c2ccccc2)cs1 916545711 VFYNUIBSJAPPJL-UHFFFAOYSA-N 282.372 3.595 30 20 CHED N#CC1(C(=O)NC2CCC(C3CCC3)CC2)CCCCC1 598451467 WBYDORYPVRWINZ-UHFFFAOYSA-N 288.435 3.936 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)s1 749615177 KURCUPQAPCWEPI-VSKVDJIOSA-N 296.823 3.859 30 20 CHED C#C[C@H](OC(=O)CCCc1csc(C)n1)c1ccccc1 842365079 ISJCSVJPJASBGN-INIZCTEOSA-N 299.395 3.692 30 20 CHED C=CCCSCCNC(=O)N1C[C@H](C)c2ccccc21 596717406 ITFGOAZFNOIEAX-ZDUSSCGKSA-N 290.432 3.629 30 20 CHED Cc1c(C=NN(C)C[C@@H](C)O)sc2c(Cl)cccc12 841654004 VUFQFFPSUOJTNR-SECBINFHSA-N 296.823 3.510 30 20 CHED Cc1cc(C(=O)O[C@H](C)C#N)c(C)n1C1CCCCC1 746232976 IZMVZYSIFJGTQJ-GFCCVEGCSA-N 274.364 3.679 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc(C)c2ccccc12 594082783 CQQLEXFCPPAGJU-ZDUSSCGKSA-N 266.344 3.522 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC(F)(F)CC2)o1 842525653 YOFQZZNNIDOQSZ-UHFFFAOYSA-N 282.294 3.647 30 20 CHED CC/C(=C\C(=O)N(CC#N)C1CC1)c1cccc(Cl)c1 744475995 VZCINNQAGMHFIW-VAWYXSNFSA-N 288.778 3.648 30 20 CHED Cc1cccc2c1[C@H](NCc1ccc(C#N)cc1F)CC2 924978841 IHFBGSDLVNAUOG-QGZVFWFLSA-N 280.346 3.783 30 20 CHED CCOc1ccc(C=Nc2ccc(F)c(F)c2)c(O)c1 920942951 VODBALWQPNYCJB-UHFFFAOYSA-N 277.270 3.820 30 20 CHED CC(=O)Nc1cccc([C@H](C)N[C@@H](C)CC(C)(C)C#N)c1 924597948 CKVZDAFNSCDTCG-STQMWFEESA-N 287.407 3.624 30 20 CHED N#CCSCCCOC(=O)[C@H]1CC[C@H](C2CCC2)CC1 849897599 FSRVRKWYBRFQPL-SHTZXODSSA-N 295.448 3.783 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc(CC(=O)O)cc1 848416064 XOTOVWZXWVZRNE-CQSZACIVSA-N 274.364 3.538 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccccn1)CC(C)C 928740850 QPGYFDRFPAJKRD-UHFFFAOYSA-N 286.419 3.835 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 757595524 FSCCDXSCHAKECW-ZBFHGGJFSA-N 281.355 3.572 30 20 CHED CC[C@H](CC#N)OC(=O)[C@]1(c2ccccc2)CC1(C)C 850980066 ZTJOHHXRFFCZMY-RHSMWYFYSA-N 271.360 3.590 30 20 CHED C=C(Cl)CSCCC(=O)Nc1ccccc1F 853784066 WTLONIZSSZCDCN-UHFFFAOYSA-N 273.760 3.640 30 20 CHED CO[C@@H]1CCOc2c(N[C@H](C)CC(C)(C)C#N)cccc21 926327886 JOJQLFBDOPEMHE-IUODEOHRSA-N 288.391 3.897 30 20 CHED Cn1c(Cl)cnc1/C=C/C(=O)c1cc2ccccc2o1 752888772 QLUABQWTKUEVIO-VOTSOKGWSA-N 286.718 3.716 30 20 CHED C#CCO[C@H](C)c1nc(-c2ccccc2SCC)no1 858821119 XMNRANLDSPBFPH-LLVKDONJSA-N 288.372 3.559 30 20 CHED C#CC(=O)N[C@H](CCCCc1ccccc1)c1ccccc1 754088800 XYARHMOPSMJMLW-LJQANCHMSA-N 291.394 3.890 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)CCc2c(O)cccc21 759082130 CBRXVXITKUCWEX-SOFGYWHQSA-N 291.759 3.715 30 20 CHED C[C@@H](NN=C[C@@H]1CCOc2ccccc21)c1ccccc1 752164972 RFEJOKQRQYGYAD-ZBFHGGJFSA-N 280.371 3.889 30 20 CHED C#CC[C@H](NC(=O)[C@@H](CC)OC1CCCC1)c1ccccc1 758006717 PJOLHNUGDJLWDR-ZWKOTPCHSA-N 299.414 3.605 30 20 CHED CC[C@H](C#N)OC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 753552227 AQUJBRPQWFTTCT-BFHYXJOUSA-N 271.360 3.821 30 20 CHED C[C@](CO)(NCCCCC1(C#N)CCC1)C1CCCCC1 929693700 CYRAPXJPUALTGN-QGZVFWFLSA-N 292.467 3.771 30 20 CHED CCCOc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1C 858568897 ROVDQBBSMGNVLU-DZGCQCFKSA-N 258.365 3.888 30 20 CHED CC(C)(CCC#N)CNC(=O)OCc1cccc(Cl)c1 859158704 HTPDZQUECDMHCM-UHFFFAOYSA-N 294.782 3.896 30 20 CHED CC(=NNc1ncc(Cl)cn1)[C@@H]1CCCC[C@@H]1C 857221172 SJWVKIMNMBOSEM-JOYOIKCWSA-N 266.776 3.744 30 20 CHED CCCCCCCCNC(=O)CCc1ccc(C#N)cc1 754853708 JNSJSAHFKGZLCL-UHFFFAOYSA-N 286.419 3.968 30 20 CHED CC(C)CN(CCC#N)Cc1coc(-c2ccccc2)n1 755668575 DWBNYNPGCSLKDV-UHFFFAOYSA-N 283.375 3.713 30 20 CHED C[C@@H](C#N)N(C(=O)CCc1ccc(C(C)(C)C)cc1)C1CC1 855584741 WGEBBELAAXAXSD-AWEZNQCLSA-N 298.430 3.820 30 20 CHED C[C@H]1CCC[C@H](c2noc(COc3cccc(C#N)c3)n2)C1 761798369 ZILXGRJTTXJWMS-JSGCOSHPSA-N 297.358 3.814 30 20 CHED CC#CC(=O)Nc1ccccc1Nc1ccc(F)cc1F 764664975 KOPSXYYXXSVCTR-UHFFFAOYSA-N 286.281 3.670 30 20 CHED C#CCCn1ccc(-c2cc(Cl)ccc2Cl)n1 760351629 FIPNTWMBIUQRMV-UHFFFAOYSA-N 265.143 3.880 30 20 CHED CC[C@@]1(C)CCCN(C(=O)c2cc(C#N)ccc2C)C1 933766209 BYPWMZGFYJSHJU-KRWDZBQOSA-N 270.376 3.519 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cncc(C)c1 767351698 IURXKSHQPUGDRU-UHFFFAOYSA-N 259.740 3.880 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc(OC(C)=O)cc2)c1 762633338 OBGRPIJVNWIGLS-UHFFFAOYSA-N 293.366 3.620 30 20 CHED C=CC[C@@H]1N(C(=O)C2=C(C)OCCC2)CCCC1(C)C 768097457 JODOQECKHRNEPP-HNNXBMFYSA-N 277.408 3.664 30 20 CHED Cc1ccc(C=NNc2ncnc3ccsc23)c(C)c1 764839935 CESRVTGYIDQKPH-UHFFFAOYSA-N 282.372 3.754 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(C)c([N+](=O)[O-])c1 766772529 SYKYGTKFDQOAJA-SREVYHEPSA-N 296.326 3.757 30 20 CHED C#CCCc1noc(Cc2ccc(Cl)cc2Cl)n1 762015832 FALSGXVYPRHUTE-UHFFFAOYSA-N 281.142 3.533 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@H](C)COC)cc1 765331692 SPBKTMJGSKTJSA-JSGCOSHPSA-N 297.826 3.751 30 20 CHED CCCCCCC[S@](=O)c1ccccc1OC 764551043 BOMQJJSGUAGQNZ-KRWDZBQOSA-N 254.395 3.773 30 20 CHED CCCCCC[C@H](C)NC(=O)c1ncc(C#N)cc1Cl 769474745 PGHFZNFXKHOLQG-NSHDSACASA-N 293.798 3.695 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1sccc1OC)C2 764443171 UIBFNADJOXABDS-FLIBITNWSA-N 286.352 3.588 30 20 CHED Cc1cc(NCC2(C#N)CCC2)nc2ccccc12 1118035143 NVMWJUJOVFVPPJ-UHFFFAOYSA-N 251.333 3.649 30 20 CHED CSc1cc2c(cc1NC[C@H](C)CCC#N)OCCO2 877159746 KLCHBYBNAWMMMS-LLVKDONJSA-N 292.404 3.531 30 20 CHED C=C(C)CCc1noc(-c2c(C)ccc([N+](=O)[O-])c2C)n1 871845790 JVESXEBYXAAEPU-UHFFFAOYSA-N 287.319 3.770 30 20 CHED CCCCN(CCCC)C(=O)c1csc(C#N)c1 1117778272 QHTWJKXHSVDMEC-UHFFFAOYSA-N 264.394 3.662 30 20 CHED CCCCC[C@H](CC)C(=O)NCC#Cc1ccccc1 775646416 YAOIIVIVRIKFDP-KRWDZBQOSA-N 271.404 3.761 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)c1 776729223 RYZBNHPVXHVGET-RMKNXTFCSA-N 295.313 3.992 30 20 CHED N#C[C@H](OC(=O)CCc1cccs1)C1CCCCC1 776362685 QYALCEZUUJUIQS-AWEZNQCLSA-N 277.389 3.696 30 20 CHED C#CCN(C(=O)N[C@H]1CCc2ccc(C(C)C)cc21)C1CC1 779686126 YXZNXUHHNIFUJE-SFHVURJKSA-N 296.414 3.605 30 20 CHED CC(C)(C)C[C@H](/N=C\c1cccc(O)c1O)C(F)(F)F 777873044 GMYZOJCUDMGYRX-LJZVVVFJSA-N 289.297 3.884 30 20 CHED N#CCOc1cccc(NC[C@@H]2C[C@H]2c2ccccc2)c1 779588606 OJLIZQGOGCXLBZ-YJBOKZPZSA-N 278.355 3.805 30 20 CHED Cc1cccc2c1CC[C@@H]2NCc1cc(C#N)ccc1F 773030327 NPHDKRYPGPADDY-SFHVURJKSA-N 280.346 3.783 30 20 CHED C#CCOc1cccc(Cl)c1CNCc1ccccc1C 778150804 FOGJVZRNRPBKCJ-UHFFFAOYSA-N 299.801 3.950 30 20 CHED C=CCCC[C@@H](NCc1c[nH]nc1C)c1ccccc1 883204952 LTMWBAHIHHSVKE-QGZVFWFLSA-N 269.392 3.905 30 20 CHED N#CCC1(OC(=O)/C=C/c2ccc(Cl)cc2)CCC1 788145655 VCLINISNHHTVKQ-QPJJXVBHSA-N 275.735 3.733 30 20 CHED C=C(Cl)CN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 781947582 MPSDGTJDFBPNOH-RISCZKNCSA-N 286.202 3.854 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccnc(Cl)c1 782192882 CDWDPUUTWOCQGB-UPHRSURJSA-N 295.672 3.615 30 20 CHED CC1(C)C[C@@H]1CNc1c(Br)cccc1C#N 1559101477 IPKMVWDCRVMEPF-SNVBAGLBSA-N 279.181 3.779 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccccc1O 782341400 IYHSRIHDKOSCMT-BQYQJAHWSA-N 271.341 3.622 30 20 CHED C=CCCCCCON=C(C)Cn1nc(C)cc1C 783028865 PHKXCVHGEHNKDB-UHFFFAOYSA-N 263.385 3.639 30 20 CHED Cc1coc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 887632604 URYUWWZOVPZMIF-UHFFFAOYSA-N 286.356 3.652 30 20 CHED N#Cc1ccc(C(=O)OCc2c(Cl)cccc2Cl)[nH]1 786071760 RZPKXOCEQQUXTI-UHFFFAOYSA-N 295.125 3.550 30 20 CHED CC(C)C(C)(C)C(=O)O[C@H](C)c1cccc(C#N)c1 784506857 RAXJYUNGVHDZDM-GFCCVEGCSA-N 259.349 3.845 30 20 CHED CC1(C)C(=NNc2ccnc(F)c2)C[C@H]1Oc1ccccc1 789037553 NURDJINSBQOXSN-OAHLLOKOSA-N 299.349 3.866 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)c(C)c1 1461019600 PZMUHBAETUCXOS-NVXWUHKLSA-N 256.393 3.925 30 20 CHED COc1cc(NN=C(C)[C@H]2CCCOC2)ccc1Cl 788471850 IORJTOVFFKNIOL-NSHDSACASA-N 282.771 3.563 30 20 CHED N#Cc1ccccc1OCc1ccccc1OC(F)F 74392696 BOGRXHCKSKLWQK-UHFFFAOYSA-N 275.254 3.739 30 20 CHED CSc1ccc(C(C)=NOC[C@H]2CCOC2)c(Cl)c1 788036872 OKYPTOTWADSHPP-NSHDSACASA-N 299.823 3.839 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc2cnccc2c1)OCC 893834931 HUZKOOFIGHCYDH-MRXNPFEDSA-N 285.343 3.512 30 20 CHED Clc1ccsc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 782267001 NJXRLSXYZIRJLG-ATZCPNFKSA-N 254.786 3.514 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1onc(C(F)(F)F)c1CC 898034159 JRRLATHELHOCFD-QMMMGPOBSA-N 290.285 3.797 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1cc(C)c(C)cc1C 780246196 FVGZYOJLRXZAOF-MRXNPFEDSA-N 288.435 3.883 30 20 CHED Cc1cc(F)ccc1NN=Cc1scnc1C1CC1 782253471 GZMBOBVUSXRYSM-UHFFFAOYSA-N 275.352 3.914 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 409581570 UUSZMZFUJBYSEW-GXTWGEPZSA-N 271.364 3.506 30 20 CHED COc1cccc2c(C#N)cn(Cc3ccccc3)c12 84860560 CIFBDJKHEZVJFX-UHFFFAOYSA-N 262.312 3.570 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(Br)c(F)c1 389980896 IVRZRDOXMVUECM-BDAKNGLRSA-N 272.161 3.813 30 20 CHED CCn1nc(C)c(C=NN2CCC(C(C)(C)C)CC2)c1C 790182011 VDVVNAKGUMWAGE-UHFFFAOYSA-N 290.455 3.612 30 20 CHED C=C(C)CCNCc1ccc(Br)cc1 168951689 OAZQXFLYWSZZFV-UHFFFAOYSA-N 254.171 3.505 30 20 CHED C[C@H](C(=O)Nc1cc(F)cc(C#N)c1)c1cccc(F)c1 1132446199 VQJMCDMGGKUSGQ-JTQLQIEISA-N 286.281 3.579 30 20 CHED C=C1CC(c2noc(Cn3c(C)cc4ccccc43)n2)C1 896889827 LNLJAZAGBDNTCW-UHFFFAOYSA-N 279.343 3.815 30 20 CHED CS[C@@H]1CCC[C@H](Nc2cccc(CC#N)c2)C1 894767531 BRFNSPKOVZYNIO-LSDHHAIUSA-N 260.406 3.839 30 20 CHED Cc1cc(C=NNc2cccc(Cl)n2)cc(C)c1O 793181022 GENZUGAVEVYOQC-UHFFFAOYSA-N 275.739 3.503 30 20 CHED CCOc1ccc(C=NN[C@H](C)C(C)(C)C)cc1F 793116293 WWCDVFZVECMDLH-LLVKDONJSA-N 266.360 3.583 30 20 CHED CCc1ccc(CN(CCC#N)Cc2cccnc2)s1 552010795 JVVUBJFKIXGCRN-UHFFFAOYSA-N 285.416 3.621 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2C[C@H](c3cccc(F)c3)C2)c1 797784592 AQVZEHGEFRISCY-WDVDTOCBSA-N 299.345 3.905 30 20 CHED CC1(C)CCC[C@H]1OC(=O)CCc1ccc(C#N)cc1 799462304 IWZIXUQBSLCAGF-OAHLLOKOSA-N 271.360 3.613 30 20 CHED CN(C(=O)CCCc1cccs1)c1ccc(C#N)cc1 61954856 NFTQDMSNVPACSD-UHFFFAOYSA-N 284.384 3.605 30 20 CHED C#CCCCCC(=O)N(C)[C@@H]1CCCc2ccccc21 710294630 VQQYGSKOVCJAMF-QGZVFWFLSA-N 269.388 3.716 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(C2CCC2)cc1 790516645 GTKPXEUSXDRRGE-UHFFFAOYSA-N 284.403 3.966 30 20 CHED COc1ccccc1CON=Cc1cccc(Cl)c1 799118100 XGIOJANMYYGUMT-UHFFFAOYSA-N 275.735 3.899 30 20 CHED FCC[C@@H]1CCCC1=NNCc1ccccc1Cl 794902027 SHTZRVHCXVTQAF-NSHDSACASA-N 268.763 3.945 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC=C(c2ccc(C)cc2)CC1 791058374 FRPPMEUCIIBUIZ-SFHVURJKSA-N 296.414 3.596 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCOCc1ccccc1 695859623 ORYSVSWTCXUCFX-OAHLLOKOSA-N 274.408 3.511 30 20 CHED CCCC[C@@H](CC)CCCN(C)c1ccnc(C#N)n1 1163753857 GWYFWZBDERGXAY-CQSZACIVSA-N 274.412 3.781 30 20 CHED CC1(C)C[C@@]1(C)NC(=O)Nc1ccc(C#N)c(Cl)c1 1310044015 WYZWJTKNFMDQNU-CQSZACIVSA-N 277.755 3.522 30 20 CHED Cc1ccccc1C(F)(F)C(=O)OCCC(C)(C)C#N 1319852288 VNKLDMAZUZWHJI-UHFFFAOYSA-N 281.302 3.570 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc(CC2CC2)o1 1327936443 YBGYEEGLHUHLST-CQSZACIVSA-N 254.333 3.730 30 20 CHED CC(C)Oc1cccnc1NC1CCC(C)(C#N)CC1 1326429294 DNAUCMAKYKBKFW-UHFFFAOYSA-N 273.380 3.753 30 20 CHED C=CCC1(c2nc([C@@H](N)c3ccccc3)no2)CCCC1 1326171211 BNUFHEKCTGRZPW-AWEZNQCLSA-N 283.375 3.506 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC/C=C\C2CC2)n1 1327800050 GNAFGMOARAAMBC-PLNGDYQASA-N 255.365 3.629 30 20 CHED C(=NNc1ncccn1)C1CCC(c2ccccc2)CC1 1321653259 SAIJCWBSZOCNPK-UHFFFAOYSA-N 280.375 3.848 30 20 CHED CC1(C)CCC[C@H]1CNc1nc(C#N)c(Cl)s1 1186542108 XSXQJCGLHBRVCB-QMMMGPOBSA-N 269.801 3.906 30 20 CHED CCC[C@@H](C#N)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1321413994 JUVHAURAIBGUMX-JTQLQIEISA-N 289.766 3.552 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cccc(CC(C)C)c1 1321857446 NPVYYTVMGLPBNB-YOEHRIQHSA-N 261.409 3.737 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(-c2ccccc2)o1 1320592609 RWHBOGUZGZSLLQ-ZFWWWQNUSA-N 271.360 3.798 30 20 CHED N#Cc1cc(C(=O)N(CC2CC2)C2CCCCC2)cs1 1330503102 AVJWHORJAIGAFP-UHFFFAOYSA-N 288.416 3.805 30 20 CHED CN(Cc1ccc(C#N)cc1)[C@@H]1CCc2c(F)cccc21 1253279798 JNBZKGKNMIRETM-GOSISDBHSA-N 280.346 3.817 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2ccc(N(C)C)cc2)c1 1333749776 CSIGFGFDNOBXKW-CYBMUJFWSA-N 280.375 3.501 30 20 CHED Cc1cc(C[C@@H](C)Nc2cccc(C(F)F)c2C#N)n[nH]1 1337901065 COQSMMKKLDWJPX-SECBINFHSA-N 290.317 3.571 30 20 CHED CCOc1ccc(N(C)C(=O)c2cccc(C#N)c2C)cc1 1348983962 BUDIGRYZCPYDIH-UHFFFAOYSA-N 294.354 3.542 30 20 CHED C=C(CC)C(=O)NC[C@@H](C)CSc1ccccc1OC 1346449087 HULWBADKVRIAFL-GFCCVEGCSA-N 293.432 3.506 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(F)cc2ccoc12 1349091769 WLIIQJQXXMFBSQ-UHFFFAOYSA-N 286.287 3.757 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nnc(C2CCC2)o1 1261576123 FNJWNZFTUKJQEU-LLVKDONJSA-N 267.332 3.555 30 20 CHED C=CCN(C(=O)c1cnn(C2CCCCC2)c1)C(C)(C)C 1351269583 BSVMOYKCHUFFLR-UHFFFAOYSA-N 289.423 3.815 30 20 CHED CCC(CC)C(=O)N(c1ccccc1C#N)C1CCC1 1353517871 LUAUMMMXERXEPL-UHFFFAOYSA-N 270.376 3.880 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@@H](C(=O)O)C1)c1ccccc1 1602857209 NQWITHHTTYWIJM-OAGGEKHMSA-N 273.376 3.537 30 20 CHED CC(=NNc1cccc(C(=O)O)c1F)c1cc(C)c(C)o1 1609556788 KKNDDOSIXLHDCO-UHFFFAOYSA-N 290.294 3.570 30 20 CHED CC[C@](C)(CN1CCC[C@@H]1[C@H](C#N)c1ccccc1)OC 1474326824 MPOYAJKCXYITPN-KZNAEPCWSA-N 286.419 3.573 30 20 CHED CN1CCN(CCC2(C#N)CCCCC2)c2ccccc21 1473249167 UBUWBTFEPAJJGJ-UHFFFAOYSA-N 283.419 3.807 30 20 CHED Cc1c(Nc2cccc(F)c2C#N)cccc1N(C)C 1612186132 JCJXNTYAQQZCRA-UHFFFAOYSA-N 269.323 3.815 30 20 CHED Cc1cc(NCc2ccc3occc3c2)ncc1C#N 1472827454 WQDQERULRAGSLN-UHFFFAOYSA-N 263.300 3.620 30 20 CHED Cc1cnc(CSc2ccc(Cl)cc2C#N)nc1 1613586938 FUWJRAGTXNMPNG-UHFFFAOYSA-N 275.764 3.602 30 20 CHED CCC[C@H](CC)Nc1ncc(C#N)cc1Br 1611906056 UJHHMDABGIJORK-JTQLQIEISA-N 282.185 3.706 30 20 CHED CC1(C)C(CNC(=O)[C@H](C#N)CCc2ccccc2)C1(C)C 1626161356 ZJUYZEIBDMDQIO-HNNXBMFYSA-N 298.430 3.557 30 20 CHED CCC(=O)c1ccc(NC(=O)c2cccc(F)c2C#N)cc1 1629363220 JNDNRGYOJYUCOK-UHFFFAOYSA-N 296.301 3.542 30 20 CHED Cc1cccc(-c2cccc(C(=O)NCC(C)(C)C#N)c2)c1 1633830209 UKROHQWDKZHLEG-UHFFFAOYSA-N 292.382 3.942 30 20 CHED CC(C)(C)c1cnc(SCCc2ccc(C#N)cc2)[nH]1 1644150984 XBFBRIIVCSMLHO-UHFFFAOYSA-N 285.416 3.914 30 20 CHED N#C[C@H](Sc1nccn1-c1cccc(Cl)c1)C1CC1 1640816278 ITXABWNIXZCXJB-ZDUSSCGKSA-N 289.791 3.920 30 20 CHED C=C(C)C[C@@H](NC1CCC(C(C)(C)CC)CC1)C(=O)O 1588548622 VWXZJVCLPBXSBC-YMAMQOFZSA-N 281.440 3.990 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)ccc1F)C1CCCCCC1 1584612921 YQWIDXUBAWSEDI-GFCCVEGCSA-N 288.366 3.786 30 20 CHED C=CCC1(NC[C@H]2CCCC[C@@H]2C(=O)O)CCCCC1 1588769146 NCPABYVYIFKGLY-CABCVRRESA-N 279.424 3.746 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccsc1C#N 1584834950 YDIVAXZMHRGXPS-RYUDHWBXSA-N 276.405 3.564 30 20 CHED CCC[C@@H](CN(CC)[C@H](C)c1ccc(C#N)cc1)OC 1657445090 UKMHFYUTHKOZIA-PBHICJAKSA-N 274.408 3.756 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(CC2(CC#N)CC2)C1 1653461937 XHFCLYRFDOVNMV-XJKSGUPXSA-N 272.367 3.902 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1CCc1ccc(C#N)cc1 1657320397 CTPVUBHVFDWZIP-UZLBHIALSA-N 290.410 3.979 30 20 CHED CSc1ccc(NCC#Cc2ccccc2)cc1C(=O)O 1599821027 VJTDGAMVGLEOPF-UHFFFAOYSA-N 297.379 3.570 30 20 CHED CC[C@H]1CCN(C(=O)Nc2cc(C)cc(C#N)c2)[C@@H]1C 1672285280 LCSSIAPKVPURNG-OCCSQVGLSA-N 271.364 3.519 30 20 CHED CCCCCCC[C@@H](C)CNc1nc(C(=O)O)co1 1776782449 ZVZHSFPTJAHIQW-LLVKDONJSA-N 268.357 3.781 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@H]1C 1690329396 WKFISIBMIZYENN-NQBHXWOUSA-N 296.846 3.779 30 20 CHED C#Cc1cccc(NCc2c[nH]nc2-c2ccccc2F)c1 163395480 CXCZWUQUMUMADZ-UHFFFAOYSA-N 291.329 3.809 30 20 CHED C/C=C/c1ccc(OC[C@H](C#N)CCC#N)c(OC)c1 153224338 HWINUTCTPHLVPM-KQIUPUNMSA-N 270.332 3.551 30 20 CHED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)oc1C 159852643 QCMIWKJFKNFSJF-UHFFFAOYSA-N 296.370 3.819 30 20 CHED CC1(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CCC1 159688452 ZNQIJRTZFHEVIC-OAHLLOKOSA-N 284.403 3.855 30 20 CHED C=CCC[C@@H](N[C@@H]1CCN2CCC[C@@H]2C1)c1ccccc1 159918545 DYTNBFTXJBUUQA-GUDVDZBRSA-N 284.447 3.910 30 20 CHED CCCCCCCNC(=O)Nc1cccc(C#N)c1 916987194 FXLGSTDZVSOGNA-UHFFFAOYSA-N 259.353 3.650 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)c2ccccc2)c1 23359226 JUPXLCCDQQFUBR-QGZVFWFLSA-N 263.340 3.800 30 20 CHED C#CCN(C(=O)Nc1ccc(C)cc1)C1CCCCC1 49444489 MATBVRNYMDJOSS-UHFFFAOYSA-N 270.376 3.795 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1F 55386697 OIRYOENQDIIZPV-MLGOLLRUSA-N 260.356 3.708 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1nc2ccccc2cc1C#N 71385938 HENUCDMRRMRTJO-RISCZKNCSA-N 251.333 3.707 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(F)c(C#N)c1 402586966 ZISIKBJLNXPLEZ-MRVPVSSYSA-N 288.244 3.614 30 20 CHED CC[C@H](CNc1ccc(C#N)cc1)CC(F)(F)F 402630182 MJXGXMXRDGELCR-JTQLQIEISA-N 256.271 3.949 30 20 CHED C=CC[C@H](CC)NCc1ccccc1Br 308949628 ORUMTFXJLADSOW-LBPRGKRZSA-N 268.198 3.893 30 20 CHED CC[C@H](C)N(CCCSCC#N)Cc1ccccc1 74981318 VMYDMJWJZRDLTN-HNNXBMFYSA-N 276.449 3.934 30 20 CHED N#Cc1cc(Cl)cc(OCCOc2ccccc2)c1 311807180 OJJVRNYQHQNHEB-UHFFFAOYSA-N 273.719 3.669 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC12CCC2 337537922 ZCCGLSVTMVHIST-INIZCTEOSA-N 257.377 3.674 30 20 CHED N#CCc1ccc(CNc2cc(F)ccc2F)cc1 342435792 KWJOCUXCLKSJRU-UHFFFAOYSA-N 258.271 3.643 30 20 CHED C(=NOCCCOCc1ccccc1)c1cccs1 588450897 UWKAGHIBQBQVJL-UHFFFAOYSA-N 275.373 3.706 30 20 CHED C=CCC(C)(C)CNc1cccc(OC)c1[N+](=O)[O-] 381861312 MHLIUAGVGRMLDR-UHFFFAOYSA-N 264.325 3.618 30 20 CHED CCOc1cc(C#N)ccc1OC[C@H]1CCCC1(F)F 382250763 XDRWRXSMPPCSJB-GFCCVEGCSA-N 281.302 3.771 30 20 CHED C[C@H](C#N)OCCOc1ccccc1-c1ccccc1 383272109 OSRBNOLHDIKLQI-CQSZACIVSA-N 267.328 3.661 30 20 CHED C(=NOCc1ccccc1)c1c[nH]c2ccccc12 839418193 IAQJYSBRLAJDOX-UHFFFAOYSA-N 250.301 3.719 30 20 CHED Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 7042326 OCBQALLGDTVJHQ-AWEZNQCLSA-N 293.370 3.614 30 20 CHED C=CCNC(=O)Nc1ccccc1COc1ccccc1 56748362 URWFONICKXSRPN-UHFFFAOYSA-N 282.343 3.573 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 109612878 MICNHLNONNAGQB-NSHDSACASA-N 292.766 3.968 30 20 CHED CC(C)(C#N)CCCN(Cc1ccc(C#N)cc1)C1CC1 174835305 ZQKRGAKWUCAFIP-UHFFFAOYSA-N 281.403 3.853 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 115972636 UHBUCGNGZXNRGT-CHWSQXEVSA-N 298.292 3.579 30 20 CHED C=CCC[C@H](NCc1ccccc1Cn1cccn1)C1CC1 119953058 NRLQYNGMSRYYDV-IBGZPJMESA-N 295.430 3.766 30 20 CHED CCO[C@H]1C[C@H](/N=C/c2ccccc2O)C12CCCC2 173992581 GQDCXPORTPEZTD-COGMNKOPSA-N 273.376 3.549 30 20 CHED N#Cc1ccccc1NC(=O)C[C@H]1CCc2ccccc21 115203007 BRMKOXGATJYWMB-CQSZACIVSA-N 276.339 3.617 30 20 CHED C=CCSCCNC(=O)c1cccc(-c2ccoc2)c1 179458194 XQGPSTINRJMRFB-UHFFFAOYSA-N 287.384 3.596 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2CCCC2)cc1 25438214 RUCJHCLHJBKPCC-UHFFFAOYSA-N 256.349 3.616 30 20 CHED C[C@@H]1CCCN([C@H](C)CNc2ccc(Cl)cc2C#N)C1 303173857 HDDCXQRQEONTGB-CHWSQXEVSA-N 291.826 3.744 30 20 CHED CC[C@@H](CSc1ccccc1)Nc1ncccc1C#N 301776646 OOTDTGYPGMZZQV-AWEZNQCLSA-N 283.400 3.936 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC[C@H]2c2ccccc2)c1 111412692 VTTZTHYOJFTOPY-RBUKOAKNSA-N 276.383 3.984 30 20 CHED C=CCCCCNc1nc(-c2cccnc2)nc(C)c1C 302294245 XEAHNXBSJWRIAO-UHFFFAOYSA-N 282.391 3.924 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCC1(C2CC2)CCC1 301763902 AKOSRYUCZCLUFW-UHFFFAOYSA-N 295.308 3.964 30 20 CHED N#Cc1cc(F)ccc1Cn1ccc2c([N+](=O)[O-])cccc21 112654167 XBDPLTLDKSNPHD-UHFFFAOYSA-N 295.273 3.609 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccc(F)c(F)c1 175852569 RIOFKCDEUQBNTO-MRVPVSSYSA-N 293.294 3.816 30 20 CHED CCCn1c(SCC#N)nc2cc(Cl)ccc21 60384420 FWWVKOWGDIKPSJ-UHFFFAOYSA-N 265.769 3.715 30 20 CHED CCCC(C)(C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 172098268 YNXJLNXHLJEXBI-UHFFFAOYSA-N 290.411 3.815 30 20 CHED C#CCOc1ccc(CN[C@H](c2ccccc2)C2CC2)cc1 172112717 ZCRGURJNOMUOIL-HXUWFJFHSA-N 291.394 3.940 30 20 CHED C#CCC1(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 1343481563 QEIRLLAYJORIRU-DLBZAZTESA-N 287.447 3.999 30 20 CHED CSC(C)(C)C/N=C(/N)Nc1cccc(C(C)C)c1 304762304 VMQYEYFCRWCYPU-UHFFFAOYSA-N 279.453 3.678 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](c2cccnc2)C(C)C)n1 176746292 VWRBQDKAELLODD-QGZVFWFLSA-N 294.402 3.817 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)cc2C)n1 129986486 FVUFYTOIBAXTPL-LBPRGKRZSA-N 290.775 3.903 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1cc(Cl)ccc1F 178878819 BFPRQFMIJZIORB-QPJJXVBHSA-N 292.741 3.726 30 20 CHED N#Cc1cccc(Cl)c1NCc1ccc2c(c1)OCO2 301175861 IGZZQVGLKBJACQ-UHFFFAOYSA-N 286.718 3.552 30 20 CHED CCC[C@H](C(=O)Nc1ccc(F)cc1OCC#N)C(C)C 124178765 UNPDMQQCJVNYDY-ZDUSSCGKSA-N 292.354 3.739 30 20 CHED Cc1ccc(N/C(N)=N/CC2(c3ccccc3)CCC2)cc1 303793289 ZJFSAYMWOUDXHV-UHFFFAOYSA-N 293.414 3.844 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(NC(C)=O)c1 182797067 DHCCIEKIJSSUNW-LBPRGKRZSA-N 289.379 3.511 30 20 CHED N#Cc1ccccc1NC(=O)c1cc(Cl)ncc1Cl 121587751 DVRWNZVOICFPDW-UHFFFAOYSA-N 292.125 3.512 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1OC 210605302 JVAVHLRWDFCJIK-CLFYSBASSA-N 282.339 3.908 30 20 CHED CC(C)[C@@H](NCC#N)c1cccc(C(F)(F)F)c1 181888308 FYPUYHVMBVJRIH-GFCCVEGCSA-N 256.271 3.516 30 20 CHED C=C[C@H](CC(=O)N(CCC)CCC)c1ccccc1 121741758 BBYVMHSRISFWOO-OAHLLOKOSA-N 259.393 3.995 30 20 CHED COC(=O)[C@@H](C)CSCc1ccccc1C(C)(C)C#N 120677793 RQFRONKMFCGGQJ-LBPRGKRZSA-N 291.416 3.530 30 20 CHED C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1ccncc1 75643598 GHDMQNFHHNGSGV-HNNXBMFYSA-N 282.387 3.839 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1cccc(C)c1C 188856927 AONUKXFSGGSLIV-YJBOKZPZSA-N 289.419 3.709 30 20 CHED CC[C@@H](C)[C@@H](NCCC#N)c1ccc(Cl)cc1 411476594 UXXSAVLIWCHGKA-BXUZGUMPSA-N 250.773 3.930 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1ccc(Cl)nc1 217039748 UFONVQCHYGLFGA-RJRFIUFISA-N 279.126 3.680 30 20 CHED Cc1ccc(CC[C@H](C)NCC2(C#N)CCC2)cc1 418144045 SCUBGDVVQJLDDU-HNNXBMFYSA-N 256.393 3.600 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)CC1 443157777 LLCBUNJCYGRZJM-GXTWGEPZSA-N 271.364 3.649 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)c1cccc(SCC#N)c1 79532596 NLWMBOGKWZGDER-STQMWFEESA-N 290.432 3.857 30 20 CHED CC(C)c1cccc2c1OC/C(=C\c1cncs1)C2=O 125397263 QDYPDRKVJIAIPX-IZZDOVSWSA-N 285.368 3.925 30 20 CHED N#CC1(CNCc2cccc(OC3CCCC3)c2)CCC1 418139687 IHYRKGXKOUULHQ-UHFFFAOYSA-N 284.403 3.791 30 20 CHED COc1ccccc1OCCOc1c(C)cc(C#N)cc1C 316151704 JUHQMJIYQQERSN-UHFFFAOYSA-N 297.354 3.642 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)CCC3)c1 504643237 XGZOPSPIZQJSDL-UHFFFAOYSA-N 296.757 3.953 30 20 CHED Cc1cc2cc(CN(C)C[C@@H](C)C#N)oc2cc1C 509790838 YCSGCLGOUMDLTR-NSHDSACASA-N 256.349 3.641 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1Cl 77666682 BSJQPJACXTWSJB-ZJUUUORDSA-N 284.762 3.804 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CC1CCCC1 75299360 IBVLWHLAQKOINM-QZTJIDSGSA-N 296.414 3.865 30 20 CHED CC(C)(CNC(=O)NCc1ccc(C#N)cc1)C1CCCC1 509750228 HFYIRIBKYSEJFO-UHFFFAOYSA-N 299.418 3.574 30 20 CHED Cc1ccc(N(C)CCOc2ccccc2C#N)c(C)c1 48554372 WWIQFWQSZZNYHU-UHFFFAOYSA-N 280.371 3.690 30 20 CHED CCCC(=O)Nc1cccc(C#Cc2ccccc2)c1 71828722 AVFKVEMXSOYXOZ-UHFFFAOYSA-N 263.340 3.825 30 20 CHED N#Cc1ccc(CNc2c(F)cc(F)cc2F)c(F)c1 88722263 DIYWFRQUNUDPAO-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)Nc1cccc(C#N)c1 43330053 ZHWJFCRKQCVMHT-AWEZNQCLSA-N 293.370 3.701 30 20 CHED CCN1CC[C@@H](N(C)CCC2(C#N)CCCCC2)C[C@@H]1C 411307159 MOEFDDUDVQRTGE-DLBZAZTESA-N 291.483 3.655 30 20 CHED C=CC[C@@H](C(=O)NC[C@H](CC(C)C)OC)c1ccccc1 416071446 ZPIPVVFQFKAQFH-DLBZAZTESA-N 289.419 3.524 30 20 CHED C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C 501807023 UPNQFTLVZSONGY-CABCVRRESA-N 270.420 3.966 30 20 CHED CCSCCCNc1ccc(C#N)cc1Br 135625941 AGQTWFFOYIPXHL-UHFFFAOYSA-N 299.237 3.876 30 20 CHED N#Cc1cc(NCCCOCC2CC2)ccc1C(F)(F)F 227093201 IFJWDIKXQMUHRA-UHFFFAOYSA-N 298.308 3.806 30 20 CHED CC(C)C(CNC(=O)CCc1ccc(C#N)cc1)C(C)C 192612757 SWDPXIDERYJHBL-UHFFFAOYSA-N 286.419 3.535 30 20 CHED C[C@H](CC1CCCCC1)/N=C(/O)[C@H]1CCCC(O)=N1 328767089 BCOKDEMAWMUJIF-DGCLKSJQSA-N 266.385 3.811 30 20 CHED CC(C)[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1F 610969989 BRZKFINVXRGYKX-GOEBONIOSA-N 260.356 3.612 30 20 CHED N#Cc1cccc(Sc2ncccc2Br)c1 227639123 BMGJMOASHXFRBA-UHFFFAOYSA-N 291.173 3.867 30 20 CHED C=C(Cl)CSc1nc(C2CC2)n(-c2ccccc2)n1 47822083 WWPJBSFVZRWHSY-UHFFFAOYSA-N 291.807 3.989 30 20 CHED Cc1[nH]c2ccc(C/N=C(/O)[C@H]3CCN=C(O)C3)cc2c1C 328669964 GCICCXFKYNXPGP-ZDUSSCGKSA-N 299.374 3.608 30 20 CHED CC(C)[C@@H]1C[C@@H](OC(=O)C(C)(C)C#N)c2ccccc21 193787360 LYZASSWOVGPIET-LSDHHAIUSA-N 271.360 3.964 30 20 CHED Cc1cccc2[nH]cc(CC(=O)OCC(C)(C)CCC#N)c12 195082035 NOSHNNLWCXYTBX-UHFFFAOYSA-N 298.386 3.892 30 20 CHED CC[C@H](CC#N)NCc1ccc(Br)cc1C 135040719 OGMZGYVSOPEZTJ-CYBMUJFWSA-N 281.197 3.539 30 20 CHED C[C@@H]1CCN(CC(O)=Nc2cccc(C#N)c2)CC12CCC2 329104058 CJRSEXUYOHOXKX-CQSZACIVSA-N 297.402 3.658 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3c(Cl)cccc32)C1 424332193 SQPMBAGGKHETKL-HWWQOWPSSA-N 274.795 3.999 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](C)CC(C)C 512195422 NHMZLLRBBJNRNN-HNNXBMFYSA-N 279.424 3.832 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(CC#N)cc1 83543367 WCBYWDQOORKWRV-UNEWFSDZSA-N 297.402 3.938 30 20 CHED C=CC[C@@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)O 426830999 ATAWYNCGDBIIRT-QGZVFWFLSA-N 299.345 3.612 30 20 CHED C=CCCCCCN(C)S(=O)(=O)Cc1cccc(C)c1 519482990 IJHOPRBKJRBQAN-UHFFFAOYSA-N 295.448 3.503 30 20 CHED CCCC1CCC(/N=C(/O)c2ncoc2CC)CC1 330852218 NZBPGNUVRDCHBF-UHFFFAOYSA-N 264.369 3.901 30 20 CHED C[C@](C#N)(NC(=O)c1cc2ccccn2c1)C1CCCCC1 81408462 AIMJVZKQONVFPE-GOSISDBHSA-N 295.386 3.532 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2occc2-c2ccc(F)cc2)C1 335181309 OHQHZDPYPWDCRF-SMDDNHRTSA-N 298.317 3.508 30 20 CHED COc1ccc(CNc2cccc(F)c2C#N)c(C)c1 532488725 MKAZZKFWGAKIJG-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CSc1ccccc1NC(=O)c1cccc(C#N)c1C 337867925 RTWORCIFUSAGNF-UHFFFAOYSA-N 282.368 3.841 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)CC1CCCCC1 338162232 NXRUCTPPBJPPRF-UHFFFAOYSA-N 270.376 3.519 30 20 CHED C[C@@H](N[C@H]1CCc2cccnc2CC1)c1ccc(C#N)cc1 335026911 AJFDYOJOPISXSG-KDOFPFPSSA-N 291.398 3.551 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CCCC[C@@H]1C 425552404 RPPAGRWLSYPLGE-KBPBESRZSA-N 264.413 3.791 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)NCC1(c2ccccc2)CCCCC1 514709705 MCBDKCBKTFCRSP-KXBFYZLASA-N 296.414 3.554 30 20 CHED N#Cc1ccc(CN(C2CCC2)C2CCC2)c(F)c1 292558119 ZDGFGEBFIYCOLR-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C=CCOc1ccc(Oc2nc(C3CC3)ns2)cc1 92658448 ANTSPDGZDUMCJO-UHFFFAOYSA-N 274.345 3.773 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCC(F)(F)C1)CC2 334685147 ABEDGQDUCPEJHK-DOMZBBRYSA-N 276.330 3.571 30 20 CHED COc1ccccc1[C@@H]1CCCN1Cc1cc(C#N)cs1 93008446 MWRPXGDBKKHRGP-INIZCTEOSA-N 298.411 3.965 30 20 CHED C[C@]1(C(O)=Nc2scnc2C2CC2)C[C@H]2CC[C@H]1O2 330108133 NDNBVDYBTNDGKK-RULNRJAQSA-N 278.377 3.566 30 20 CHED C[C@H](CCNCc1ccc(OCC#N)cc1)c1ccccc1 237464550 VBEKLGFHVUTOFT-MRXNPFEDSA-N 294.398 3.872 30 20 CHED Cc1cc(CN[C@H]2CCOc3c(F)cccc32)ccc1C#N 336174605 KEPYBPYOABBDQU-KRWDZBQOSA-N 296.345 3.619 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cnc([C@@H](C)CC)nc1 434514008 NTXMSXXOJKHFRU-JSGCOSHPSA-N 288.395 3.563 30 20 CHED C=CC[C@H](CC)NC(=O)CCn1ccc2ccccc21 337085198 DEWIJEVUZRRBJW-HNNXBMFYSA-N 270.376 3.502 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(c2ccc(C#N)nc2)C1 433658085 DXSZAIPZDLTYAY-LJQANCHMSA-N 291.398 3.802 30 20 CHED Cc1nccc(N/C(O)=N/[C@@H]2CC[C@H](C)c3ccccc32)n1 330082173 ANQGQSJPRRGLGP-XHDPSFHLSA-N 296.374 3.750 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cccs1 341115682 VPCJLKJQHFGVTK-UHFFFAOYSA-N 275.348 3.716 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(-c2cccs2)o1 341070750 NREZCFPWILIBKZ-HNNXBMFYSA-N 288.372 3.676 30 20 CHED CCc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1 433114397 GCXQOXLPDCOPDN-KRWDZBQOSA-N 292.382 3.960 30 20 CHED C[C@H](NC(C)(C)CN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 248706382 AUCZOFNQWWTKMJ-LZLYRXPVSA-N 299.462 3.788 30 20 CHED CCc1ccc(C(=O)N(CCC#N)CCC(C)C)cc1 349402404 SFHWZNABXGHAQZ-UHFFFAOYSA-N 272.392 3.651 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cscn1 343100848 FUGORGFOQXUCMY-UHFFFAOYSA-N 285.416 3.673 30 20 CHED COc1ccc(CS[C@@H](C#N)C2CC2)cc1Cl 601080275 BANVTXHWDNVIEX-ZDUSSCGKSA-N 267.781 3.884 30 20 CHED C=CCSc1nccn1-c1ccc(Br)cc1 249693957 OIDXQUCZPUUBEO-UHFFFAOYSA-N 295.205 3.913 30 20 CHED CC(C)C1(CN[C@H](C)c2ccc(OCC#N)cc2)CC1 182008958 AJGVDHQZSIKIGK-CQSZACIVSA-N 272.392 3.676 30 20 CHED N#Cc1csc(C(=O)NCCCC2CCCCC2)c1 437676671 UUWRTJYYSCNYFQ-UHFFFAOYSA-N 276.405 3.710 30 20 CHED C=CCCC[C@@H](C)NC1CCN(C(=O)OC(C)(C)C)CC1 182184651 KKULEASCDJOQOR-CQSZACIVSA-N 296.455 3.720 30 20 CHED COCCOc1ccccc1/C=C\C(=O)c1ccccc1 255078797 CUCXPOHIQJBXAC-QXMHVHEDSA-N 282.339 3.608 30 20 CHED COc1cc(/C=C\C(=O)c2ccco2)cc(Cl)c1OC 255332186 JDYNKIPSGQLTNC-WAYWQWQTSA-N 292.718 3.846 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 604898229 LKLUCOJBRVCRSB-BLLLJJGKSA-N 290.382 3.931 30 20 CHED Cc1nnc(SCC2CCCCC2)c(C#N)c1C 182712752 LBBPCCFPNSZHFF-UHFFFAOYSA-N 261.394 3.638 30 20 CHED CC(C)c1nc2cc(NC(=O)C3(C#N)CCC3)ccc2o1 609874145 KXIQSPDMZQKQSO-UHFFFAOYSA-N 283.331 3.584 30 20 CHED N#Cc1ccnc(NCc2ccc(-c3ccco3)cc2F)c1 343082239 KUZVNWYVGUIZOI-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CC1(C)CC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 348275085 MGRVBASCEGXWRP-CVEARBPZSA-N 254.377 3.714 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(F)cc1Br 602533107 ZITJASDTUWZTDO-JTQLQIEISA-N 299.187 3.618 30 20 CHED C[C@H](C(=O)N(C1CCC1)C1CCC1)c1cccc(C#N)c1 346735970 UPXZEXWSGKCINP-ZDUSSCGKSA-N 282.387 3.595 30 20 CHED C=C1CCN([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 341992197 CACRIPFQZCYYCW-INIZCTEOSA-N 286.419 3.591 30 20 CHED CSc1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1 602482448 CPFNKSRPPDTXQD-CYBMUJFWSA-N 290.432 3.919 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cccnc2Cl)cc1 255042283 ORDXHEHBYPRLAG-YFHOEESVSA-N 286.762 3.697 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc(F)ccc1-c1ccoc1 350931336 VGDHESWTUKQPFF-CYBMUJFWSA-N 286.306 3.508 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NCC(C)(C)CCC#N 359762460 HYEDANQZJPTBGY-ZDUSSCGKSA-N 266.429 3.895 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cc(C)cc(F)c1 354089014 WDWTZSLINBWHCF-UHFFFAOYSA-N 297.333 3.690 30 20 CHED N#C[C@H]1CCC[C@@H]1NCc1cccc(-c2ccncc2)c1 350359522 SISCSHMRYOJFDA-MSOLQXFVSA-N 277.371 3.530 30 20 CHED C=CCN(CCCc1ccc(C)nc1)CCc1ccco1 354641325 YNNNFYMHPSNPJD-UHFFFAOYSA-N 284.403 3.646 30 20 CHED N#CCC1(CN(C2CC2)[C@@H]2CCc3ccccc32)CC1 602791256 PEIPGIHIQLUOQV-QGZVFWFLSA-N 266.388 3.832 30 20 CHED Cc1ccc2cc(C(=O)NCC(C)(C)CCC#N)[nH]c2c1 359765198 OVLYCMVUMZFZPO-UHFFFAOYSA-N 283.375 3.536 30 20 CHED Cc1ccccc1[C@H](Nc1cccc(C#N)n1)C1CC1 534397174 JTEBFHFBDZUFSH-QGZVFWFLSA-N 263.344 3.825 30 20 CHED C#CCCCCNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 268349821 QYRJVESOCTVCMP-HNNXBMFYSA-N 290.794 3.600 30 20 CHED Cc1ccc(-c2noc([C@@H](C)Oc3ccc(C#N)cc3)n2)o1 350806640 SXKKINRBYYNSCX-LLVKDONJSA-N 295.298 3.650 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)Cc1cccs1 449170891 HMYIIRDLWBIUJJ-HLIUYOAVSA-N 276.449 3.989 30 20 CHED C=C1CCN(Cc2nc3ccccc3n2CCC)CC1 353328153 HBPRJQJVGIZMMU-UHFFFAOYSA-N 269.392 3.598 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC12CCCC2 354101468 ULPACEBQQULTKU-ZDUSSCGKSA-N 283.375 3.509 30 20 CHED CCCOc1cc(F)ccc1N[C@H]1CC[C@H](C#N)C1 442868980 DGNUFZWKHMJSAF-AAEUAGOBSA-N 262.328 3.719 30 20 CHED CC[C@@H](C)CN(C)C(=O)C[C@H](CC#N)c1ccccc1 355979256 CQRQPRMOZBRBHW-ZBFHGGJFSA-N 272.392 3.578 30 20 CHED C=CCN(CCC#N)C/C(C)=C\c1ccccc1COC 353584475 HBXRTWZQMFSPCC-SSZFMOIBSA-N 284.403 3.638 30 20 CHED C=CCOCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 440863537 XJUDNKCZTCKOQF-HHNLSAEISA-N 299.414 3.674 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)oc1C 532267798 FXBDONVBZKWHMQ-LBPRGKRZSA-N 293.326 3.571 30 20 CHED C=CCC1(C(=O)NC2CCN(C(C)(C)C)CC2)CCCC1 449796020 RRJCIHITDYTTOX-UHFFFAOYSA-N 292.467 3.502 30 20 CHED C[C@@]1(C#N)CCCN(CCOc2cccc3ccccc23)C1 612160545 JHROLGUWGPTOCL-IBGZPJMESA-N 294.398 3.844 30 20 CHED Cc1csc(N(C)C(=O)C[C@@H](CC#N)c2ccccc2)n1 355822930 FAZPZQFVSYFAFQ-CQSZACIVSA-N 299.399 3.502 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1C[C@H](C)C[C@@H](C)C1 531081462 NKURMZGMFMVMJM-VXGBXAGGSA-N 285.391 3.813 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cc(C)c(C)s1 355363389 IMYXTTVAOKWHEC-UHFFFAOYSA-N 285.372 3.531 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)c1ccccc1C#N 269850033 PCOYSUGBRWUXLJ-ZIAGYGMSSA-N 296.395 3.695 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)[C@H]1CCCOC1 356851001 QPQJUDSDKBCQAR-CABCVRRESA-N 288.391 3.596 30 20 CHED C=CCN(C(=O)c1cc2cc(F)ccc2s1)C1CC1 357496823 WMVOQCLEBZJIDU-UHFFFAOYSA-N 275.348 3.831 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1ccsc1 352826891 IZAXWVSYVROCMT-UHFFFAOYSA-N 276.361 3.604 30 20 CHED C[C@H](OCCCNc1cccc(C#N)n1)c1ccccc1 265517336 LNYLVCMLTGLXSP-AWEZNQCLSA-N 281.359 3.533 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(CC#N)c2ccccc2)C1 356105370 VYINLGHWBXGQLJ-GJZGRUSLSA-N 270.376 3.760 30 20 CHED CCCN(Cc1ccc(C)cc1)c1ncccc1C#N 532717919 DTBSAETYHIUITI-UHFFFAOYSA-N 265.360 3.678 30 20 CHED N#CCCCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F 264202632 JLTZPYBNYFSWKB-UHFFFAOYSA-N 287.241 3.719 30 20 CHED Cc1nc(CN[C@@H](C)CC#N)oc1-c1ccc(Cl)cc1 610755627 RQGZPURWTAIYDG-JTQLQIEISA-N 289.766 3.695 30 20 CHED N#Cc1cccc(N2CCC(c3ccc(F)c(F)c3)CC2)n1 265505667 JFTCKGHJAQKGIL-UHFFFAOYSA-N 299.324 3.615 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(O)cc1 611526566 USGZQWRHIZNFPQ-MOPGFXCFSA-N 292.382 3.664 30 20 CHED Cc1ccc2nc(C)c(C(=O)N[C@@H](C#N)C(C)(C)C)cc2c1 362340396 AVHQECHLRCOLOY-INIZCTEOSA-N 295.386 3.520 30 20 CHED C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1cccc(C#N)c1 610360975 LZEUTIMYSGZHTL-CYBMUJFWSA-N 290.366 3.538 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H]1CCc2ccc(F)cc21 539390253 CNDDZXAFUURHLS-WBMJQRKESA-N 290.382 3.857 30 20 CHED C=C[C@@H](CC(=O)N1CCC(F)(F)C[C@@H]1C)c1ccccc1 530011710 NCNRPHAYFIPHTB-KBPBESRZSA-N 293.357 3.993 30 20 CHED COc1cc(OCc2ccc3ncccc3c2)ccc1C#N 618100333 UXFKOCHGSPVSEG-UHFFFAOYSA-N 290.322 3.694 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(c2cccc(Cl)c2)C1 458725019 FONGQQJAAMKLTG-HNNXBMFYSA-N 292.810 3.804 30 20 CHED Cc1cccc2c(N(C)Cc3cscn3)c(C#N)cnc12 610274443 IVBVCMNZDRSIJU-UHFFFAOYSA-N 294.383 3.508 30 20 CHED CO[C@@](C)(CN[C@@H]1CCCCc2cc(C#N)ccc21)C1CC1 361002169 IHUUUNUDTQYSSG-MOPGFXCFSA-N 298.430 3.730 30 20 CHED C=CCC1(C(=O)NCCC2(OC)CCC2)CCCCC1 452141508 UAQGSFJSNMCTTM-UHFFFAOYSA-N 279.424 3.588 30 20 CHED COc1cccc(OC)c1SCCC(C)(C)C#N 276654879 RBUZZQPNMSLDGE-UHFFFAOYSA-N 265.378 3.736 30 20 CHED C=CCC1(NC(=O)N(CC)C(C)C)CCCCC1 451938837 IPAQIKHGDDUZFW-UHFFFAOYSA-N 252.402 3.705 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(COCC2CC2)c1 276317537 ODJRIAFDMQTVAF-UHFFFAOYSA-N 288.391 3.653 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc2c[nH]nc2cc1C 360425373 AYAAQFWWFSYQIL-UHFFFAOYSA-N 269.348 3.578 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(C)ccc1OC 540537365 MWUDGQPUJYMYDU-ZDUSSCGKSA-N 276.380 3.870 30 20 CHED N#Cc1ccnc(N[C@H](c2ccc(F)cc2)C2CCCC2)n1 450308067 JMOUZDCAOYCGJQ-INIZCTEOSA-N 296.349 3.831 30 20 CHED C#CC[C@@H](N[C@H](C)c1cnn(C(C)C)c1)c1ccccc1 271537259 QKZDJDKUOSYRHO-CRAIPNDOSA-N 281.403 3.879 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1cccs1 620859113 WVCCZWGGAHGQPF-NSHDSACASA-N 251.395 3.713 30 20 CHED CCOc1cccc([C@@H](C)NCCC(C)(C)C#N)c1 271987956 DDCAGIOBNDUDGL-CYBMUJFWSA-N 260.381 3.676 30 20 CHED CN(Cc1ccccc1OC(F)(F)F)[C@@H]1CC[C@@H](C#N)C1 278534061 FNAHFPIWEAILRY-DGCLKSJQSA-N 298.308 3.709 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 541009896 VSQRWAZCEJYJKB-JYJNAYRXSA-N 281.440 3.689 30 20 CHED CS[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)C(C)(C)C 463492575 ILOZUDKXDIROBP-CYBMUJFWSA-N 293.392 3.656 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H]1C1CCCCC1 467319527 ZOSXJXGGWGXLDY-HOTGVXAUSA-N 261.409 3.840 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@H]1C1CCCC1)OCC 372202875 CEMMJXCMJDHMBZ-JKSUJKDBSA-N 279.424 3.539 30 20 CHED C=CCC[C@H](NCCOc1ccccc1F)C1CC1 540172534 LALGRAXMGNHKPM-HNNXBMFYSA-N 263.356 3.539 30 20 CHED C=CCN(C(=O)c1oc(C(C)C)nc1C)C(C)(C)C 622945829 UYHPPDNNTAWBET-UHFFFAOYSA-N 264.369 3.533 30 20 CHED N#CCC[C@H](C#N)CNC1CCC(c2ccccc2)CC1 548788283 COSJWPQJJOCEFT-FAEJEUNOSA-N 281.403 3.746 30 20 CHED C=CCCCc1nc(-c2cccnc2OC2CCCC2)no1 547066824 RUVFIJRBRZKDPG-UHFFFAOYSA-N 299.374 3.962 30 20 CHED C=C[C@H](C)NC(=O)N[C@H]1c2ccccc2CCC[C@H]1C 462218631 ILNBTXYSSHTAHO-DVOMOZLQSA-N 272.392 3.574 30 20 CHED N#Cc1c(Cl)nsc1N1CC=C(c2ccccc2)C1 371473701 RQXTUTRNBSEHGA-UHFFFAOYSA-N 287.775 3.572 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1cccc2ccccc12 285131695 WINHTSRLWJHFCD-SCLBCKFNSA-N 280.371 3.957 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H]2CCC[C@H]2C1 462911762 HZABYYDALKXKKZ-MBNYWOFBSA-N 285.347 3.847 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(C)cc1 280916294 SSCCBIUYFVVWJB-UAGQMJEPSA-N 259.393 3.627 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(F)cc2F)no1 551104450 GTCHLJXBIQPXKF-UHFFFAOYSA-N 264.275 3.869 30 20 CHED Cc1ccc(-c2ccnn2C)cc1N[C@@H]1CCC[C@H](C#N)C1 281156013 BBPMVWSDUOQXCN-GOEBONIOSA-N 294.402 3.890 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)Oc2cc(F)cc(F)c21 375235390 ATFYOGXYNLHUHY-FPYGCLRLSA-N 299.685 3.691 30 20 CHED CC(C)CCCNC1CCN(c2ccc(C#N)cc2)CC1 282660487 MSIPYZLFCGIZJR-UHFFFAOYSA-N 285.435 3.553 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2cc(Cl)ccc2s1 288680730 ZWVDLHKZYJECMU-CYBMUJFWSA-N 293.779 3.828 30 20 CHED N#C[C@@H](C1CCCCC1)n1ccc(C(F)(F)F)cc1=O 289638628 MYZNQNXQGLRKCA-LBPRGKRZSA-N 284.281 3.512 30 20 CHED CO[C@](C)(CNc1cc(C#N)ccc1C(F)(F)F)C1CC1 461867296 PLELTUFOYGJBBP-CQSZACIVSA-N 298.308 3.804 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1ccc(SC)cc1 281327576 KQNKMWVDYIHDFB-SNVBAGLBSA-N 284.812 3.521 30 20 CHED C=CCCCCNC(=O)N1CCC(CC(F)(F)F)CC1 551639804 PDRKJNOULFDSLL-UHFFFAOYSA-N 292.345 3.717 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cnn(-c2ccccc2)c1CC 468182922 LJRSKDNYJDMRKI-AWEZNQCLSA-N 297.402 3.976 30 20 CHED C=CCOc1ccc(CNCC(C)(F)F)cc1Cl 550258944 KBXLQHJBBXSPET-UHFFFAOYSA-N 275.726 3.650 30 20 CHED C[C@H](Cc1cncc2ccccc12)C(=O)OCC(C)(C)C#N 805913846 SAOWECZEMXPMGK-CYBMUJFWSA-N 296.370 3.506 30 20 CHED C#Cc1ccc(CN[C@H](CCC)[C@@H](O)c2ccccc2)cc1 809657265 ZGHGSHZOYCDWOY-UXHICEINSA-N 293.410 3.660 30 20 CHED CCCCCCC(=O)Nc1cc(C#N)ccc1NC 803295805 RKSSFGHOROFYCG-UHFFFAOYSA-N 259.353 3.509 30 20 CHED CC(CCC1CCCCC1)=NN[C@H]1CCSC1 808003199 KZKVSIJUZAJMMJ-AWEZNQCLSA-N 254.443 3.818 30 20 CHED C=CCCCCNC(=O)[C@@H](C)CCc1ccccc1F 471672595 WTIZHYAQRMAASH-AWEZNQCLSA-N 277.383 3.867 30 20 CHED C=C(C)CNC(=S)N(C)[C@H](CC)c1ccccc1OC 806603268 IRFPTLJEDBYPTI-CQSZACIVSA-N 292.448 3.529 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](C)c1ccc2ccccc2c1 292525969 UPOVRYWKELJSEG-OAHLLOKOSA-N 292.382 3.872 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1ccccc1C)C2=O 809157514 TXZTZXQZUZNDJY-UKTHLTGXSA-N 282.314 3.965 30 20 CHED C#Cc1cc(F)c(NCc2cn3cccc(C)c3n2)c(F)c1 802745154 PUQIGPRWBLJSDU-UHFFFAOYSA-N 297.308 3.514 30 20 CHED C#CCC1(c2nc(-c3cccc(C)n3)no2)CCCCC1 809339628 AZYPFXYYRBQGGU-UHFFFAOYSA-N 281.359 3.665 30 20 CHED Cc1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1 806579876 VAMIMYZVNLTVMP-XYOKQWHBSA-N 269.731 3.866 30 20 CHED C[C@H](C#N)OCCOc1ccc(NC2CCCCC2)cc1 802729766 PUXXWMAKIIYZBM-CQSZACIVSA-N 288.391 3.739 30 20 CHED Cc1cccc(-c2noc(-c3ccc(C)c(C#N)c3)n2)c1 809255038 PAUXLKRNUNGDFF-UHFFFAOYSA-N 275.311 3.892 30 20 CHED Cc1cc(COC(=O)[C@@]2(C#N)CC23CCCC3)cs1 297780768 NKTTYAJDQJPGPA-HNNXBMFYSA-N 275.373 3.574 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1CCN(c2ncccc2F)C1 562654381 FUQCCMJIXBWGJF-CABCVRRESA-N 291.414 3.524 30 20 CHED C#CCCN(Cc1ccc2occc2c1)CC(F)(F)F 809641602 MVTCWDUHSOKOKM-UHFFFAOYSA-N 281.277 3.820 30 20 CHED C=CCC(C)(C)c1nc([C@H]2CCCCS2)no1 291876622 JAJSWKPHZSDEHQ-SNVBAGLBSA-N 252.383 3.882 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccc(Br)cc1F 298467462 IKVSHKPYEGKYNH-NXEZZACHSA-N 299.187 3.931 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)c1c[nH]c(C#N)c1 293906722 ABDICTJOJHACAY-ZDUSSCGKSA-N 275.396 3.707 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1 476117761 KCGYOOKWODFWQI-HUUCEWRRSA-N 261.409 3.818 30 20 CHED N#CCSCCCOC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 805570643 QKUKZLAKHGSGMC-QLFBSQMISA-N 295.448 3.783 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1SC(C)C 806350277 QIWMYEIXXKHXSQ-GFCCVEGCSA-N 276.405 3.720 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cccc(Cl)c1Cl 42426988 INDXZXURNWMKBH-VIFPVBQESA-N 285.174 3.615 30 20 CHED CC(C)CC[C@H](O)CNc1ccccc1SCCC#N 564444812 WJOSASGZLSHYNZ-AWEZNQCLSA-N 292.448 3.901 30 20 CHED CC(C)c1ccc(CN(C)c2cnccc2C#N)cc1 560618379 CHBKFSOPVFZWRS-UHFFFAOYSA-N 265.360 3.713 30 20 CHED CC1(C)C[C@@H](Nc2cccnc2C#N)c2ccccc21 565337491 UTGIRQIOIMXSSZ-OAHLLOKOSA-N 263.344 3.788 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cccc(F)c2C#N)c1 811690176 WMAHBAUTGDGXRX-KTKRTIGZSA-N 295.313 3.992 30 20 CHED CCC(CC)N(CC)C(=O)Nc1ccc(C#N)c(F)c1 568569151 FPOWCDNRSUQMGG-UHFFFAOYSA-N 277.343 3.740 30 20 CHED CCOc1ccc(NN=Cc2cccc(OC)c2)cc1 814984287 NQMIWFXRVLKEJQ-UHFFFAOYSA-N 270.332 3.540 30 20 CHED CC(=NOC/C=C\Cl)c1cc(Cl)cc(C)c1O 811669826 JQKWFFDCKIWXRU-FGYBOYJWSA-N 274.147 3.847 30 20 CHED C[C@@H]1SCCC1=NNc1ncc(Cl)cc1Cl 814740813 YVAWOVSUMFXDFQ-LURJTMIESA-N 276.192 3.682 30 20 CHED C=CCCCCCCCNC(=O)c1cc(N)nc(Cl)c1 811589761 FIQFERVBAQXYAC-UHFFFAOYSA-N 295.814 3.574 30 20 CHED C=CCCCCn1nc(C(F)(F)F)c2cnccc21 574862276 RBPWHGGXRGCHMI-UHFFFAOYSA-N 269.270 3.806 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)[C@@H](C)C1CCCCC1 480341551 JEJQQPGHCKEQBY-KGLIPLIRSA-N 273.424 3.591 30 20 CHED CCOc1ccc(NN=Cc2cc(F)c(F)c(F)c2)cc1 814984358 YBFORYBELRETBY-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CON=C(Cc1ccccc1Br)c1ccoc1 814796190 WKTDSJHFEPNPJA-UHFFFAOYSA-N 294.148 3.635 30 20 CHED C=CCN(C(=O)/C=C\c1cccc(O)c1)c1ccccc1 819984877 BIBMXZIUGQHBSM-QXMHVHEDSA-N 279.339 3.625 30 20 CHED N#CC1(CS[C@H]2CCc3ccccc3C2)CCC1 578550844 QBCJGIIYHMFWIL-HNNXBMFYSA-N 257.402 3.971 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H]1CCc2ccccc2C1 480271365 PWCDPYQMMHLVJB-HNNXBMFYSA-N 271.404 3.606 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccccc1OCCC 810022334 IZUGYYUHGNTEFO-UHFFFAOYSA-N 293.366 3.638 30 20 CHED C=C[C@H](CCC(=O)O)NCc1cc2cccc(CC)c2o1 656566712 SMLIAJOSCMQJKF-CQSZACIVSA-N 287.359 3.504 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 483120568 KKJAYPGPRHTSQS-HUUCEWRRSA-N 261.409 3.914 30 20 CHED C#Cc1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1 819399660 BBRORYTWSCQFSL-UHFFFAOYSA-N 289.378 3.728 30 20 CHED CC(=NNC[C@H]1CCSC1)c1ccc(OC(C)C)cc1 811662027 ZZGVMQRHVLGTFM-CQSZACIVSA-N 292.448 3.541 30 20 CHED Cc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)s1 727973110 QUQURFLTORDMJW-UHFFFAOYSA-N 275.333 3.719 30 20 CHED C=CCOCCCN(C)[C@@H](CC)c1cccc(OC)c1 578361846 CUGSWHHWHMDLFP-KRWDZBQOSA-N 277.408 3.671 30 20 CHED Cc1cc(C)nc(NN=C2CCCCc3ccccc32)n1 825130689 MAVHUXCAVIAOGP-UHFFFAOYSA-N 280.375 3.636 30 20 CHED C[C@H](C1CC1)N(C)C(=O)Nc1ccc(CC#N)cc1Cl 570408324 JRGYBZVBKXMUKR-SNVBAGLBSA-N 291.782 3.668 30 20 CHED CCC[C@H](CCc1ccccc1)NC(=O)[C@](C)(C#N)CC 573011516 BSWAVWCAGYBLOT-AEFFLSMTSA-N 286.419 3.844 30 20 CHED C/C=C/C=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 490576886 OZAURCMQUCUEQY-YTXTXJHMSA-N 282.387 3.675 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1c[nH]nc1C 666238554 MPMBCFKRKCERRC-BBRMVZONSA-N 269.392 3.556 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1cccc(C#N)c1 497653534 XAAMDUXLDILEJK-WMLDXEAASA-N 299.418 3.574 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(c3ccccc3)CCC2)c1 728482169 NGCLWPMYHIGZNZ-UHFFFAOYSA-N 289.378 3.753 30 20 CHED Cc1cccc2c1C/C(=C/c1ccccc1[N+](=O)[O-])C2=O 729151534 TUKLUTCRKGHROF-LCYFTJDESA-N 279.295 3.726 30 20 CHED C=CC[C@@H](NC(=O)CCCCCC)c1ccncc1 734459688 LVWJCEXOXRLOPO-OAHLLOKOSA-N 260.381 3.785 30 20 CHED N#CC1(CN[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 903107039 ZNHARLDTGHNVFT-HIFRSBDPSA-N 274.795 3.869 30 20 CHED CC(C)(C#N)CN[C@H]1C[C@H](c2ccccc2)C1(C)C 903100508 QPIJKJCKHUWXTI-CABCVRRESA-N 256.393 3.708 30 20 CHED C=CCNC(=O)Nc1cccc(OCc2ccc(C)cc2)c1 732436822 WVALKLPKSQOKDB-UHFFFAOYSA-N 296.370 3.882 30 20 CHED C=CC1CCN(C(=S)Nc2ccc(C)c(C)c2)CC1 731941750 AXZOFRPHNAFVOS-UHFFFAOYSA-N 274.433 3.898 30 20 CHED N#Cc1cc[nH]c(=Nc2csc3ccccc23)c1Cl 580910233 IDEKFJJQRJMZLO-UHFFFAOYSA-N 285.759 3.987 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccccc1C#N 588618207 HJJOSSOGQKJFEU-CLFYSBASSA-N 265.287 3.902 30 20 CHED C=C(C)CN(C)C(=O)/C(C)=C\c1ccccc1Cl 588395453 XHMIPRVEAXRBFP-XFXZXTDPSA-N 263.768 3.778 30 20 CHED C#CCO[C@@H](C)c1nc([C@H](c2ccccc2C)C(C)C)no1 834737061 GHLMFJCUDONULQ-HOCLYGCPSA-N 298.386 3.877 30 20 CHED C#CCOc1cccc(OCc2ccccc2C)c1 730439402 IYOHWWTVFMETLO-UHFFFAOYSA-N 252.313 3.586 30 20 CHED CC(CC(C)(C)C)=NNc1ncnc2sccc12 834936112 RXYHMVRISJPEIY-UHFFFAOYSA-N 262.382 3.915 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CCC[C@@H]1CCC(C)C 736400018 IFCYRNZVTNRAMP-OLZOCXBDSA-N 272.820 3.643 30 20 CHED COc1nccc(/C=C2\C(=O)c3ccccc3[C@@H]2C(C)C)n1 834438692 YXJULDZWPFWUHF-IZNAZMGOSA-N 294.354 3.505 30 20 CHED C=CCC[C@@H](CC)N[C@H](C(=O)O)c1ccc(C)c(C)c1 901843029 CRDFYTNHMKOOQR-CVEARBPZSA-N 275.392 3.764 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccc(C)cc1 833386997 IVUGLPJQATUILW-UHFFFAOYSA-N 268.316 3.529 30 20 CHED CCc1oc2ccccc2c1C=NNc1ccccn1 730543901 JUFXCXJSTUXHNY-UHFFFAOYSA-N 265.316 3.836 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NN[C@@H]1CCCC1(C)C 901232370 ZFCVNCQNDCKTOZ-OAHLLOKOSA-N 276.428 3.583 30 20 CHED CCC/C(C)=C\C(=O)N[C@H](C#N)c1ccc(Cl)cc1 733259584 ZUUKCVNKZGFISX-RBJHHQRMSA-N 276.767 3.767 30 20 CHED CCCCCCCCCc1nc([C@@H]2C=CC=NC2=O)no1 903367389 ILBPJLNNZKTKNT-ZDUSSCGKSA-N 289.379 3.614 30 20 CHED C=C(C)COC(=O)c1cccc(COc2ccc(C)nc2)c1 734056449 TXWVYLZWGNJFLI-UHFFFAOYSA-N 297.354 3.702 30 20 CHED C=CCC1(C(=O)OCCCSCC#N)CCCCC1 838153362 HCUZZRLVUAUQDP-UHFFFAOYSA-N 281.421 3.703 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(OC(F)F)cc2)C1 839044917 VQUALKZUVYMVBA-MFKMUULPSA-N 295.285 3.527 30 20 CHED Cc1cc(O)c(CN2CCC[C@@H](C#N)C2)cc1C(C)C 905722997 VQYABZVDGVAUEA-AWEZNQCLSA-N 272.392 3.560 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1cocn1 730831097 WZCFXNWWLJGIDL-UHFFFAOYSA-N 281.400 3.567 30 20 CHED COc1cc(Cl)ccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839049712 SCBHRHXWUADXOO-JQWIXIFHSA-N 293.750 3.588 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C/c1ccccc1OC(F)(F)F 735066032 MQMMKJHLPAKCOG-PBQZMEPESA-N 299.292 3.679 30 20 CHED C#CCOc1cccc(NC(=O)CCCc2cccs2)c1 730980320 VAWHLCCUZGWLMY-UHFFFAOYSA-N 299.395 3.722 30 20 CHED C[C@@H](C=NN[C@H](C)C(F)(F)F)CCc1ccccc1 835001106 NOSODKAHYKIVIM-VXGBXAGGSA-N 272.314 3.782 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc2c(Cl)c(C)cnc12 912751966 WDUSBLQGVSJCNT-SNVBAGLBSA-N 287.750 3.685 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCSc1cccc(Cl)c1 594093176 ZYGWAKKAQFOALK-GFCCVEGCSA-N 296.823 3.583 30 20 CHED Fc1ccc(-c2ccc(C=NNc3cnccn3)s2)cc1 912961643 DFAPNDHQPVXLBR-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Cc1ccc(-c2ncc(CNCCCC#N)s2)cc1C 594502182 YZPQIWWOYNTPDY-UHFFFAOYSA-N 285.416 3.820 30 20 CHED C=CCNC(=S)N(Cc1cccc(F)c1)C1CCCC1 745693799 ATZDFQGEGRDYEE-UHFFFAOYSA-N 292.423 3.631 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C#N)nc2)c2cc(F)ccc2O1 593495794 JBUKISORCLDECR-OAHLLOKOSA-N 297.333 3.807 30 20 CHED C#C[C@H](OC(=O)C1(C(F)(F)F)CCC1)c1ccccc1 842363997 QXTZXLPRAKJVOK-LBPRGKRZSA-N 282.261 3.637 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N(C)[C@H](C#N)CC 594090810 WSSJNMGYONQATL-GJZGRUSLSA-N 264.413 3.744 30 20 CHED C=C(C)CCOC(=O)COc1ccc(Cl)c(C)c1 744305163 QCMGNHNJAXRFQD-UHFFFAOYSA-N 268.740 3.537 30 20 CHED N#CCC1(OC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCC1 842354109 VWXXSBSEVYJPLX-UONOGXRCSA-N 289.762 3.823 30 20 CHED COc1ccc([C@@H](C)/N=C/c2c(O)cccc2OC)cc1 745624654 MDVONIYWNYJICX-MBNTZHJCSA-N 285.343 3.590 30 20 CHED CC#CCOC(=O)c1ccc(Cl)c(C(F)(F)F)c1 747117165 WLUJWRYUTSGRIJ-UHFFFAOYSA-N 276.641 3.539 30 20 CHED C[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2cnc3ccccc3n2)CC1 845532053 QGZWUQOUYSADTD-IHRRRGAJSA-N 293.370 3.632 30 20 CHED CCc1nc(SCC2(CC#N)CC2)sc1C 849927445 ANYXMBHQLBVFHA-UHFFFAOYSA-N 252.408 3.800 30 20 CHED CC(C)c1ccccc1C=NNCc1ccccc1N(C)C 848410602 HXCZBUUKYSTWRA-UHFFFAOYSA-N 295.430 4.000 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2CCCOc3ccccc32)c1 749749040 UEQJXQJKIJNIRW-BKAYVGFPSA-N 297.354 3.734 30 20 CHED CS[C@@H]1CC[C@@H](N=c2c(C#N)c[nH]c3c(C)cccc23)C1 742422116 WVUYAEVFCONVCP-ZIAGYGMSSA-N 297.427 3.533 30 20 CHED C=C(Br)CN1CC[C@H]1c1ccc(Cl)cc1 749115295 QQLHKPIIBOSQEC-LBPRGKRZSA-N 286.600 3.995 30 20 CHED N#CC1(CC(=O)N2CCCc3ccccc32)CCCCC1 596619136 QHRPABNCWQZIKT-UHFFFAOYSA-N 282.387 3.830 30 20 CHED CC(C)(CCC#N)COC(=O)Cc1cccc(C2CC2)c1 842349750 NLZAKUJPAVESLN-UHFFFAOYSA-N 285.387 3.980 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(C)c2ccc(C#N)cc2F)CC1 592588927 UIHCAXNZSHLJGG-AWEZNQCLSA-N 286.350 3.797 30 20 CHED Cc1cccc(-c2nnc([C@@H](C)SCCC#N)o2)c1 840211891 FSHHIMMICNDESB-LLVKDONJSA-N 273.361 3.753 30 20 CHED Cc1nc2ccccc2c(C)c1C(=O)OCC1(CC#N)CC1 849643298 WHOFELMTAAYFQQ-UHFFFAOYSA-N 294.354 3.702 30 20 CHED CCC(CC)(CC)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593983525 FIHURYQZDVQAKD-AWEZNQCLSA-N 286.419 3.822 30 20 CHED CN(C)[C@@H]1CCC[C@H](/N=C\c2c(O)ccc3ccccc23)C1 749844511 KPXOZKOOSZBEKA-UHAXAAPQSA-N 296.414 3.837 30 20 CHED COc1cccc(C2(N[C@H](C)CC(C)(C)C#N)CCC2)c1 926723966 HGDBZKIXXDXTSJ-CQSZACIVSA-N 286.419 3.992 30 20 CHED C[C@H](OC(=O)[C@@H]1CC12CCCC2)c1cccc(C#N)c1 747479208 PHBJDFAORBGRCK-WFASDCNBSA-N 269.344 3.743 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H](C)Oc1ccc(C)cc1 743042618 MKHQEGGPZQJQPN-VCRXTVNUSA-N 299.370 3.596 30 20 CHED CO[C@@H](C#N)c1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 844226672 IRNGOTBHOKRPSS-XIKOKIGWSA-N 279.339 3.888 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(C2CC2)cc1 682087763 YMENQDIBEHHUSO-QGZVFWFLSA-N 273.376 3.731 30 20 CHED CCOc1ccc(/C=C\C(=O)c2c(C)nn(CC)c2C)cc1 920927640 GADBDCQMIFHOJP-XFXZXTDPSA-N 298.386 3.815 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2/N=C\c1cccc(O)c1O 920177862 LWIRONUDASIBBA-PACYTGELSA-N 267.328 3.513 30 20 CHED C=CC[C@H]1N(C(=O)c2nc(C)c(C)s2)CCCC1(C)C 683571274 ONSUUGNVSOKLHW-CYBMUJFWSA-N 292.448 3.967 30 20 CHED C#Cc1cccnc1NC1CCC(N2CCC(C)CC2)CC1 853457462 USTIFECHNHLLID-UHFFFAOYSA-N 297.446 3.518 30 20 CHED CC(C)OCCCN(C)CCCCC1(C#N)CCC1 929694490 IXPLSKXKTCIVPY-UHFFFAOYSA-N 266.429 3.597 30 20 CHED C=CCCONC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 856032554 QSZITUCXCNYJPR-IAGOWNOFSA-N 281.355 3.567 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)OCCCC#N 753560915 JSCGDKLLPUVLDL-ZIAGYGMSSA-N 271.360 3.823 30 20 CHED CC(=NNc1ccccc1F)c1ccc(N)cc1C 758097616 DYTXHKIYDSEAHS-UHFFFAOYSA-N 257.312 3.552 30 20 CHED COCCON=C1CCC[C@@H]1c1ccccc1Cl 758125380 WBYKSXVLXGSLAV-GFCCVEGCSA-N 267.756 3.627 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1ccccc1C(F)(F)F 757871995 VAAYPBRSDZRHSK-NSHDSACASA-N 283.293 3.686 30 20 CHED COc1cccc([C@@H](C)C(=O)O[C@H](C)CC(C)(C)C#N)c1 851209159 CGHKREJNYUSQPA-CHWSQXEVSA-N 289.375 3.670 30 20 CHED Cn1cc(C(=O)/C=C/c2ccccc2C#N)c2ccccc21 755589854 DPAMGMXDSAXPGQ-ZHACJKMWSA-N 286.334 3.946 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2c(C)nn(C)c2C)cc1 920832534 MVKVNRPCRNWSPJ-FLIBITNWSA-N 298.386 3.722 30 20 CHED CCc1nc([C@@H](C)N[C@H](C)CC(C)(C)C#N)cs1 925031637 BOFGXYAPZIUQBP-GHMZBOCLSA-N 265.426 3.684 30 20 CHED C#CCCCC(=O)N1CCC[C@@H](C2CCCCC2)C1 856303679 HSZJPZQOLPPVBG-MRXNPFEDSA-N 261.409 3.609 30 20 CHED COc1cc(F)cc(NN=C(C)CC2CCC2)c1 759213349 YXTRMQHSGGWHLO-UHFFFAOYSA-N 250.317 3.812 30 20 CHED N#Cc1ccc(/C=C2/Cc3c(F)cc(F)cc3C2=O)cc1 751537133 VRKXMVMDUGKDOW-XGICHPGQSA-N 281.261 3.659 30 20 CHED N#Cc1cccc2c1CCN2C(=O)OCC1CCCCC1 859195520 ZFYZMFCQJZOROC-UHFFFAOYSA-N 284.359 3.638 30 20 CHED CC(=NOCC(F)F)c1ccc(OC(F)(F)F)cc1 758899040 CMVOHZGKEXEBGM-UHFFFAOYSA-N 283.196 3.591 30 20 CHED C=CC(C)(C)CCOC(=O)c1ccc(NC(C)=O)c(F)c1 851300307 QNMZBFWPYLXNPI-UHFFFAOYSA-N 293.338 3.543 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C\SCc2ccco2)C1 855438556 KLRSNAXRZVPBMK-MSKHEQNASA-N 291.416 3.841 30 20 CHED COc1ccc(/C=C2\CCCC(C)(C)C2=O)cc1F 757535087 QOECGWMMXOAJDV-FMIVXFBMSA-N 262.324 3.997 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1[C@H](C)CO 696774415 FCANRCPHZZTMHM-HZPDHXFCSA-N 283.456 3.747 30 20 CHED Cc1ccc(NN=C[C@H]2CCC[C@@H](C(F)(F)F)C2)nn1 853304339 JVQHXCQDXUFHGB-WDEREUQCSA-N 286.301 3.551 30 20 CHED CCC(=CC(=O)O[C@H](C)c1cccc(C#N)c1)CC 759547148 CHGUHQHMTLSVLB-GFCCVEGCSA-N 257.333 3.909 30 20 CHED C/C(=C/C1CCC(C)CC1)C(=O)N1CCC(C#N)CC1 865055821 OVJJGVSMJDWZPK-KAMYIIQDSA-N 274.408 3.521 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1CCC1CCCC1 767956993 ADCAFTXCWYCMOO-INIZCTEOSA-N 276.424 3.544 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCc2ccc(Cl)cc21 863637660 PSDYZKLRXWLJFN-OAHLLOKOSA-N 275.779 3.637 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1nc2ccccc2s1 767077918 VHTKWDXGQJPILX-NSHDSACASA-N 286.400 3.523 30 20 CHED COc1cc(C#N)ccc1NCc1ccc(CF)cc1 766078571 XLXODMSNWVOGOH-UHFFFAOYSA-N 270.307 3.648 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)cc1Cl 766489169 BOHAVSKJSFKRMU-SNAWJCMRSA-N 288.730 3.956 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NOCc1cccnc1 766718054 XUHBPXAAPIMGKO-CYBMUJFWSA-N 266.344 3.818 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(C)nc2ccccc12 860198294 WXEGNWRNJQYMNB-UHFFFAOYSA-N 296.370 3.916 30 20 CHED Cc1cccc([C@@H](O)CNc2ccc(C#N)c(Cl)c2)c1 132534935 WMQOONABULZGTN-INIZCTEOSA-N 286.762 3.666 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 767253597 CNDLMDKLOZZJGB-UWVGGRQHSA-N 284.186 3.577 30 20 CHED C#C[C@@H](C)N(C)C(=O)Cc1csc2ccc(Cl)cc12 767259124 MGMWUDUZZAEEFF-SNVBAGLBSA-N 291.803 3.577 30 20 CHED C#CCCCCCC(=O)Nc1cnccc1C(F)(F)F 876485266 GGCBFJRZUKYXOH-UHFFFAOYSA-N 284.281 3.623 30 20 CHED C=CC(C)(C)CC(=O)N1CC=C(c2cccc(OC)c2)C1 879416390 SGXGAGQHEWBMHA-UHFFFAOYSA-N 285.387 3.523 30 20 CHED Fc1cc(F)c(NN=C2CC3(CCC3)C2)cc1F 772843515 CATIGZMRDGJXFR-UHFFFAOYSA-N 254.255 3.836 30 20 CHED C#CCOc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 771939425 QSEGNMVGQIOZOL-LJQANCHMSA-N 277.367 3.646 30 20 CHED C[C@H](C#N)COC(=O)CCC(=O)c1ccc2ccccc2c1 770932182 XBSQXXZFRYKTLJ-CYBMUJFWSA-N 295.338 3.506 30 20 CHED CCc1ncc(C=NN[C@@H]2CCCCC2(C)C)s1 773127227 ZATDFRFTNNYICY-GFCCVEGCSA-N 265.426 3.598 30 20 CHED O=C(/C=C\c1ccc(Cl)s1)c1cncs1 776434613 YCHAIJABUSHWCC-IWQZZHSRSA-N 255.751 3.754 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H](C)[C@H]1CCC 779963871 NXOFEFIHSOYXFH-HZPDHXFCSA-N 263.425 3.997 30 20 CHED N#C[C@@H](OC(=O)c1cncc2ccccc12)C1CCCCC1 772291542 JVJFSHKRGCWWEP-QGZVFWFLSA-N 294.354 3.864 30 20 CHED C#CCCCCC(=O)N(CCC)Cc1ccc(OC)cc1 773232667 SIDCYQWHNYZTFC-UHFFFAOYSA-N 287.403 3.627 30 20 CHED Cc1ccc(CCC=NNCCCc2ccccc2)cn1 774386245 VYRISDSNXMMYFP-UHFFFAOYSA-N 281.403 3.531 30 20 CHED CCCCCCCCOC(=O)[C@H]1CCO[C@H](C)C1 776422234 XXGMXOMCQCBJIO-KGLIPLIRSA-N 256.386 3.705 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1ccco1 776785030 QTGGHLDDOHSQEP-UHFFFAOYSA-N 251.289 3.582 30 20 CHED C=C(C)CCN(Cc1ccc(N(C)C)cc1)C1CC1 775571095 AEGVAJWXRJOERP-UHFFFAOYSA-N 258.409 3.683 30 20 CHED C[C@@H]1CCC[C@@H](CN2CCO[C@@H](c3cccc(C#N)c3)C2)C1 771453713 FIUGPDLEHNLJHT-SZVBFZGTSA-N 298.430 3.758 30 20 CHED C=CCN(C(=O)Nc1cn(C)nc1-c1ccccc1)C(C)C 779626701 JBGPPWGSQGLEMS-UHFFFAOYSA-N 298.390 3.515 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NN[C@@H]1CCOC1(C)C 872381351 MLLGYHFNKUJINW-QGZVFWFLSA-N 299.418 3.634 30 20 CHED C#Cc1cccc(N(C(=O)CC[C@@H](C)SC)C(C)C)c1 773379891 WMVOMKZMMWWKJV-CQSZACIVSA-N 289.444 3.941 30 20 CHED CCC(=NNc1ccccn1)c1cc(C)ccc1OC 771556280 YKSHRSAKFUICSR-UHFFFAOYSA-N 269.348 3.625 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc(F)nc2)c1 777466605 ASPGMWSWYWJLTI-SOFGYWHQSA-N 271.291 3.516 30 20 CHED CC(CCCC(F)(F)F)=NO[C@@H]1CCCCO1 774396050 XEQIZGKYZKYCNU-SNVBAGLBSA-N 253.264 3.638 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 1120734561 ZGUQMTQZLSWAOL-SNVBAGLBSA-N 269.797 3.972 30 20 CHED CCCCCCCOC(=O)c1cccc([S@](C)=O)c1 770587540 LAVDZVODGZBKJM-IBGZPJMESA-N 282.405 3.551 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 1129809628 RDHXEBVTWNWCMH-VNHYZAJKSA-N 270.376 3.878 30 20 CHED N#Cc1cccc(NCc2cc(F)c(F)c(F)c2)c1 62705644 YRQLYLNZILMHTI-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H]2CCC[C@@H]2C)cc1 772960972 XDAAJHQZHUXGSU-ZQIUZPCESA-N 257.377 3.538 30 20 CHED C#CCCOc1ccc(CN(C)[C@H](C)C2(C)CC2)cc1 770288142 GFJWYNXTQNTBFW-OAHLLOKOSA-N 271.404 3.709 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)ccc1F 770573563 ZTBROVNVUUMFQT-KXFIGUGUSA-N 293.297 3.624 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(CF)cc1 1129252330 ULUGETSXDFDHFA-UHFFFAOYSA-N 294.329 3.621 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@H](CF)C1)c1ccccc1 881599852 DFNMNNUFWNFWBW-ZBFHGGJFSA-N 275.367 3.554 30 20 CHED C=C(CC)C(=O)Nc1ccc(OC2CCC2)c(F)c1 1123731413 DPROYPKLHRYRJC-UHFFFAOYSA-N 263.312 3.662 30 20 CHED CCCCC[C@H](C)CC(=O)[C@@H](C#N)c1ncc(Cl)n1C 1123337812 UVVOCGKAENXESV-NWDGAFQWSA-N 295.814 3.856 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cc2ccccc2s1 788037364 UWCBKZIRKNRUTE-LBPRGKRZSA-N 275.373 3.678 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1c(C)cccc1C 782440673 VBLRGJRHJVNTFZ-KRWDZBQOSA-N 276.376 3.575 30 20 CHED N#Cc1cc(CNC2(C3CCCCC3)CC2)ccc1F 1460914277 LMXQPQQQDZWZAL-UHFFFAOYSA-N 272.367 3.900 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 786622411 BCFLVGXJMLVILI-CYBMUJFWSA-N 282.727 3.789 30 20 CHED CC(=NNC1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 786043283 MKOHBPGPQIJWHE-SFHVURJKSA-N 299.462 3.807 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccc(F)cc1O 782348094 POZKYPMTHOKPKM-AATRIKPKSA-N 289.331 3.761 30 20 CHED CCOc1c(Cl)cccc1C=NOCC(F)(F)F 782251938 HOOASBJWTWVKMF-UHFFFAOYSA-N 281.661 3.652 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1Cl)c1cncs1 787171847 FEZJEQYBWTZJHD-DUXPYHPUSA-N 294.719 3.601 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)CC#N 780373145 JIZCFHAUWWFPTD-LBPRGKRZSA-N 280.327 3.516 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1c1ccccc1OC 780474866 OBGNLUPQFPWOFP-KRWDZBQOSA-N 299.414 3.942 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)C2CCCCCC2)n1 1472753223 QHQVLKGDNIVXIH-LBPRGKRZSA-N 272.396 3.681 30 20 CHED N#Cc1ccccc1Oc1ccc(C(F)(F)F)cn1 301074857 YPPXABWFLOWKDM-UHFFFAOYSA-N 264.206 3.764 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc2cnccc2c1)OCC 893834930 HUZKOOFIGHCYDH-INIZCTEOSA-N 285.343 3.512 30 20 CHED CC(C)(C#N)CC(=O)N1CCC(C2CCCCC2)CC1 782635814 HBMFWSMWDHHCCJ-UHFFFAOYSA-N 276.424 3.745 30 20 CHED CCC1=C(C(=O)O[C@@H](C)c2cccc(C#N)c2)CCCO1 784926117 BXEMFGZHAGEFSX-LBPRGKRZSA-N 285.343 3.637 30 20 CHED Cc1cc(NC(=O)c2cc3ccccc3s2)ncc1C#N 1130289737 PRRFRLMBKLFDFA-UHFFFAOYSA-N 293.351 3.729 30 20 CHED Cc1cc(CNCCCCC#N)sc1Br 166681913 VHRNUSAKFOONME-UHFFFAOYSA-N 287.226 3.603 30 20 CHED C#C[C@H](NC1CC(c2cccc(F)c2)C1)C(C)(C)C 702280525 HCPPNNWKZLJTSN-BCLQGDPASA-N 259.368 3.709 30 20 CHED C[C@@H](NN=Cc1cc2cc(F)ccc2o1)C(C)(C)C 793114797 NPJOBFNDAUNEPG-SNVBAGLBSA-N 262.328 3.930 30 20 CHED CC(Cn1nc(C)cc1C)=NOCCCC(C)(C)C 799174143 CHRNBPAVJGDVBV-UHFFFAOYSA-N 265.401 3.719 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(F)ccc(O)c2F)s1 794938192 LQCRIBQEEIYWAD-HYXAFXHYSA-N 280.295 3.936 30 20 CHED CCCCCCCCCN(C)C(=O)C1=CCOCC1 793151646 YKEVLKASYXWNSB-UHFFFAOYSA-N 267.413 3.542 30 20 CHED CC(=NNc1nccn1C)[C@H](C)c1ccc(Cl)cc1 794540867 FOTVMPKJPVSTHH-JTQLQIEISA-N 276.771 3.665 30 20 CHED COc1cc(C=NN[C@H](C)C(C)(C)C)ccc1SC 793114681 MPEGJKWKHDEZOD-LLVKDONJSA-N 280.437 3.775 30 20 CHED CN1CCCC(C)(C)[C@H]1C/N=C\c1cc(Cl)ccc1O 790599386 XTUBIQSRBBATDH-YQYFLZKSSA-N 294.826 3.585 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(C)c1 796660579 XHLDTXJJLLSEQX-UHFFFAOYSA-N 292.382 3.971 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H]2C=CCCC2)c1 571498177 GAWGCYAMKKEAGA-CYBMUJFWSA-N 254.333 3.552 30 20 CHED C#CCCN(Cc1cc(Br)ccc1F)C1CC1 760820524 QGGRHRYPHBRPJW-UHFFFAOYSA-N 296.183 3.576 30 20 CHED COC(=O)c1ccccc1CSCC1(C#N)CCCC1 1166474174 MFHMCKGRVFXTLC-UHFFFAOYSA-N 289.400 3.790 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1)C1CCCC1 1673022767 VIYJAFJFLMQJQW-HNNXBMFYSA-N 271.364 3.649 30 20 CHED CC1(C)C(c2nnc(-c3cccc(C#N)c3)o2)C1(C)C 1322585667 PIMLJLIMCJBJIW-UHFFFAOYSA-N 267.332 3.758 30 20 CHED CCOc1ccc2c(c1)CN([C@H](C#N)c1ccccc1)CC2 1327511989 KTKBEGSZIRQYPL-LJQANCHMSA-N 292.382 3.708 30 20 CHED C#CCC1(C(=O)N2CC(C)(C)C2(C)C)CCCCC1 1320662354 OBGQXXNAAYGFQL-UHFFFAOYSA-N 261.409 3.607 30 20 CHED CCC(=O)c1ccc(Oc2cc(C)c(C#N)cn2)c(F)c1 1185875147 UHGFCRVVVJGBLB-UHFFFAOYSA-N 284.290 3.786 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC)c(SC)c1 1337356479 CNHJKFFCOROAEB-UHFFFAOYSA-N 265.378 3.712 30 20 CHED Cc1ccc(CC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 1330306355 XQINVOWFAPCDSE-RTBURBONSA-N 282.431 3.942 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 1332863029 RYBGVJAMQTUSJB-QGZVFWFLSA-N 298.430 3.992 30 20 CHED C=C(CN[C@@H](C)CCc1ccco1)c1ccccc1 211896836 JONHJMHTNUVEJY-HNNXBMFYSA-N 255.361 3.904 30 20 CHED C=C(CC(C)C)C(=O)NC1(c2cccc(F)c2)CC1 1347776544 HEQVBQMGBQENAW-UHFFFAOYSA-N 261.340 3.533 30 20 CHED CC[C@H]1CCc2ccccc2N1C(=O)c1csc(C#N)c1 1348238787 ICFXUVSSOYZOFQ-AWEZNQCLSA-N 296.395 3.991 30 20 CHED N#Cc1cccc(NC(=O)[C@H](F)CC2CCCCC2)c1 1348069065 RPRXRLNYEHTQKD-OAHLLOKOSA-N 274.339 3.805 30 20 CHED O=C(CC#Cc1ccccc1)N1Cc2cccc(Cl)c2C1 1355051201 WQRAJCJIPLUEMM-UHFFFAOYSA-N 295.769 3.624 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2cccc(C#N)c2)C[C@H]1C 1351936497 DIJONJIXWSGSEC-YRGRVCCFSA-N 256.349 3.569 30 20 CHED C[C@@H]1CCCC[C@@H]1COC(=O)CCCCCC#N 1350079130 ULSQFDQREYNPIP-ZIAGYGMSSA-N 251.370 3.830 30 20 CHED C=C(CC)C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 1520364021 LJGWTVXCKBCBGJ-UHFFFAOYSA-N 283.293 3.556 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1F)c1ccccc1 223625640 FMLGGYCFTWNSKU-MRXNPFEDSA-N 268.335 3.938 30 20 CHED N#Cc1ccccc1SCc1ccc(C(=O)O)cc1 1605620336 ZVKIHGXOTUNSFD-UHFFFAOYSA-N 269.325 3.549 30 20 CHED C[C@H](C(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 1521475054 NUJHOQKKCCVTRV-NSHDSACASA-N 284.746 3.954 30 20 CHED N#CCc1ccc(NC(=O)c2cc(F)cc3ccoc23)cc1 1523228172 BFGYUHTUYXDALQ-UHFFFAOYSA-N 294.285 3.890 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)CC(C)C)c1cccs1 1525963204 ATZCQBFAISOOFC-SMDDNHRTSA-N 265.378 3.928 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(C(=O)O)co2)cc1Cl 1600398355 ORIWMIASWXQCBX-PLNGDYQASA-N 290.702 3.836 30 20 CHED CC[C@H](NC(=O)Nc1cc(C#N)ccc1F)[C@@H]1CC1(C)C 1466788973 RRWJONBZLCUXBE-AAEUAGOBSA-N 289.354 3.644 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cc(C(=O)O)co1 1604326940 VBEPQPNYEISCOO-WFASDCNBSA-N 298.342 3.673 30 20 CHED C=C(CNC(=O)NC[C@@H](C)C(C)(C)C)c1ccccc1 1470421101 WXYXZSOLJPGFMF-CQSZACIVSA-N 274.408 3.681 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)n1 1559183016 FAFQKFJKDDETBR-HIFRSBDPSA-N 296.349 3.544 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@]1(C)CC 120223559 GPZRXQBYUXNMJY-DOTOQJQBSA-N 257.377 3.637 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCN1C[C@H](C)C[C@@H](C)C1 1646331708 XBDWKWCWOHZCLQ-ZACQAIPSSA-N 299.462 3.529 30 20 CHED C[C@H](CN1CCCc2cc(C#N)ccc21)C(C)(C)C 1645900897 NIBBIBWVAGUELY-CYBMUJFWSA-N 256.393 3.993 30 20 CHED C=C[C@@H](Nc1ccc(SC(C)(C)C)cc1)C(=O)O 1588702122 JTCCKLZOSMINAL-GFCCVEGCSA-N 265.378 3.628 30 20 CHED COCc1cccc(CN2CCCc3cc(C#N)ccc32)c1 1658801030 KZMOEAMYRPRWKF-UHFFFAOYSA-N 292.382 3.657 30 20 CHED N#Cc1ccc2c(c1)N(Cc1cc3ccccc3o1)CC2 1658109428 MCVXBPSUQOKXBI-UHFFFAOYSA-N 274.323 3.867 30 20 CHED C=C[C@H](S[C@H](C)c1ccc(Cl)cc1)C(=O)O 1588715352 WNPSAFDDIXKKQK-KCJUWKMLSA-N 256.754 3.773 30 20 CHED C=CC[C@H](C)Sc1cccc(Cl)c1-c1nn[nH]n1 1588539735 XKXPDMPGOSPQSO-QMMMGPOBSA-N 280.784 3.577 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1669874698 WCMDGCPCGDZDPH-BXUZGUMPSA-N 291.782 3.768 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)O)ccc1Cl 1776147793 SKVLZDQFMQYJLL-VIFPVBQESA-N 281.739 3.579 30 20 CHED C[C@@H](NC(=O)NCc1cccc(C#N)c1)C1CCCCCC1 1673951587 YJMIWTJLZLPFGO-CQSZACIVSA-N 299.418 3.716 30 20 CHED CCc1ccc(/C=C\C(=O)c2cc(C(=O)O)ccc2O)cc1 1776968905 KRBNQDROHLCYQQ-CLFYSBASSA-N 296.322 3.549 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@H](C)C[C@@H](C)CC)CC1 1776159705 XLALSKWTFRYIMQ-LSDHHAIUSA-N 281.440 3.802 30 20 CHED C=C(Cl)CNC(=O)NC[C@H]1CCCC[C@@H]1CCC 1682002281 ZOHDLRRPHGGPFU-QWHCGFSZSA-N 272.820 3.645 30 20 CHED C=C[C@@H](C)NCc1cc(Br)ccc1Cl 124371277 SABIXEVGYLSWDE-MRVPVSSYSA-N 274.589 3.767 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccc(Cl)c(C#N)n2)n1 150921653 LMKYDCAFLGUZBY-OAHLLOKOSA-N 298.777 3.652 30 20 CHED C=CCN(C)C(=O)N[C@H](CC(C)C)c1ccccc1 161326513 TYZRTDXZOUEGPZ-OAHLLOKOSA-N 260.381 3.601 30 20 CHED C=CCCN[C@H](CC)c1cc(Br)ccc1O 168504031 XWQRQUZGCQDRNX-GFCCVEGCSA-N 284.197 3.772 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc(C)s2)CC1 152933518 KWIGNEMYMUMOBG-CQSZACIVSA-N 278.465 3.748 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc(C)cc2)CC1 153043333 ZPZRWXWDSAOWLR-INIZCTEOSA-N 272.436 3.686 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Cl)cc1OC(F)F 157913024 SOBCPZKKRDIJLX-UHFFFAOYSA-N 290.697 3.639 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc2ccccc2c1 156912993 VBTVPSLOEYWLHK-CQSZACIVSA-N 267.332 3.654 30 20 CHED N#Cc1cccc(NC(=O)CCSC2CCCCC2)c1 37492060 YSFADPYNDGOZPW-UHFFFAOYSA-N 288.416 3.953 30 20 CHED Cc1ccc(NC(=O)C(C)(C)C#N)cc1C(F)(F)F 44351265 UCGCAXMVOODFGR-UHFFFAOYSA-N 270.254 3.502 30 20 CHED N#Cc1cnc(N2CCCc3ccccc3C2)c(Cl)c1 171677828 KIZUZYAVHBZBBU-UHFFFAOYSA-N 283.762 3.559 30 20 CHED CN(CCS[C@H]1CC[C@H](C#N)C1)Cc1ccccc1 295126332 BRGPFSGYGKMAJM-HOTGVXAUSA-N 274.433 3.544 30 20 CHED Cc1ccccc1[C@@H](C)NCc1ccc(C#N)c(F)c1 192147198 QVLKFEYYOGOSRH-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C[C@@H](CC1CC1)Nc1nc(C(F)(F)F)ccc1C#N 78836156 ULKSKJPYZCSEDQ-QMMMGPOBSA-N 269.270 3.573 30 20 CHED CC[C@@H](NCC1(C#N)CC1)c1ccc(Cl)s1 336736138 MJKQGJJDDSGSGV-SECBINFHSA-N 254.786 3.746 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 598521393 GJEFGVKCSSCRLQ-UHFFFAOYSA-N 296.754 3.723 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C(F)F)cc1 386312823 MEARCDLTYQELEO-ZDUSSCGKSA-N 252.264 3.503 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC=CC[C@@H]1C 341680121 SSEYSYIXPXJCIQ-UONOGXRCSA-N 262.397 3.520 30 20 CHED C=CC1CCN(Cc2cc(-c3cccs3)on2)CC1 111258703 ZBIOGFRMLZOLLG-UHFFFAOYSA-N 274.389 3.801 30 20 CHED C#CCCCCNC(=O)Nc1cccc(SCC)c1 177273469 APYXCTYUUWZVMW-UHFFFAOYSA-N 276.405 3.724 30 20 CHED N#CCC1(COC(=O)C2(C(F)(F)F)CCCCC2)CC1 1261591749 PNKGZZHKQQYSFU-UHFFFAOYSA-N 289.297 3.736 30 20 CHED CS[C@H](C(=O)OCc1ccc(C#N)cc1)c1ccccc1 172420153 VWAUAYIEUTWHNI-INIZCTEOSA-N 297.379 3.706 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@H](C#N)c1ccccc1F 114327756 ZQCXINJDYXXXJL-BLLLJJGKSA-N 288.366 3.723 30 20 CHED C=CCn1nnnc1S[C@H](C)c1cccc2ccccc12 63537876 CGWVNRVNJFIWTE-GFCCVEGCSA-N 296.399 3.866 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 115971234 KMMXPDYLGCYSRD-OLZOCXBDSA-N 298.292 3.579 30 20 CHED CC(C)CCc1noc(CSc2cccc(C#N)c2)n1 177097011 HGFXOAULYKYPPF-UHFFFAOYSA-N 287.388 3.822 30 20 CHED C[C@H](c1ccc(Br)cc1)N1CCC(C#N)CC1 112339247 WIBACVMSELOMQK-LLVKDONJSA-N 293.208 3.746 30 20 CHED C=CCCCC(=O)NC[C@@H](c1ccsc1)N(CC)CC 175283637 MMUXPKPHLUSLJQ-HNNXBMFYSA-N 294.464 3.604 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cccs1 175315574 AQRLZOJYQDEKHI-ONEGZZNKSA-N 266.268 3.628 30 20 CHED COc1cc(/C=C2/CCc3cc(F)ccc3C2=O)ccc1O 176940362 OUHCECKRJLSCTD-JYRVWZFOSA-N 298.313 3.752 30 20 CHED N#Cc1nc(NCc2ccc(Cl)s2)ccc1Cl 67349608 ZCMACSYPEWCVLL-UHFFFAOYSA-N 284.171 3.934 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1cccc(F)n1 1344035478 NHRCEKDGNACDIU-UPJWGTAASA-N 274.339 3.613 30 20 CHED C=CCCCC(=O)Nc1ccc2oc(CC)nc2c1 175367019 UBQSIILUEZGXCR-UHFFFAOYSA-N 258.321 3.685 30 20 CHED N#Cc1ccc(CNCCc2nc3ccccc3s2)cc1 20128107 WOIXGIMBQIESII-UHFFFAOYSA-N 293.395 3.500 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(C)[C@@H](C)CC#N 177630550 QTKZBYPHKLOXSE-UONOGXRCSA-N 252.402 3.744 30 20 CHED Cc1ccc(N[C@@H]2CCO[C@H](c3ccccc3)C2)nc1C#N 302749036 GHHSTJKIDSGXQA-WBVHZDCISA-N 293.370 3.594 30 20 CHED COc1ccc(F)cc1[C@H](C)N[C@@H](C#N)C1CCCCC1 115606076 HRYIJSBVQVTXPG-LRDDRELGSA-N 290.382 3.957 30 20 CHED C#CCCCCC(=O)Nc1cccc(CC(F)(F)F)c1 119925926 IEJHMSHIHISWMB-UHFFFAOYSA-N 283.293 3.924 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(c2ncc(C#N)cc2Cl)C1 302134240 LQTYNGOVZMTBTK-NHYWBVRUSA-N 298.777 3.589 30 20 CHED N#Cc1ccc(NC(=O)CCCC(F)(F)F)c(Cl)c1 355957113 BVPWBMPHOWFXGC-UHFFFAOYSA-N 290.672 3.883 30 20 CHED C[C@@H](CN(C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 67014476 QNPRIZDUCQJAND-AWEZNQCLSA-N 293.370 3.826 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1C#N 120247114 DCMVAORLIBZCCR-HNNXBMFYSA-N 289.354 3.740 30 20 CHED CN(CCCCNc1ccc(C#N)cc1)c1ccccc1 301083372 KUCXDDMZKAVZPD-UHFFFAOYSA-N 279.387 3.887 30 20 CHED CC(C)(C#N)CCN(Cc1cccc(O)c1)CC1CC1 119610213 KNPBOYSIDSMVEV-UHFFFAOYSA-N 272.392 3.544 30 20 CHED C=CCCCCNC[C@H](O)c1cccc(C(F)(F)F)c1 312328321 TWBGFIUWRVKAED-AWEZNQCLSA-N 287.325 3.685 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/CCc2ccccn2)cc1 303700013 HGPGEMJBURVORP-AWEZNQCLSA-N 296.418 3.564 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)CCCSCC#N 120844910 FDHWPVWDEMOGOW-UONOGXRCSA-N 254.443 3.534 30 20 CHED C=CCN[C@@H](C)c1ccc(OCCCC)c(OC)c1 180338777 UDQTXLLUPOWNNK-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](OCCC(C)C)C1 181414455 GKKVCQTVUKCETC-HOTGVXAUSA-N 296.455 3.578 30 20 CHED N#Cc1cnc(N2CC[C@@H](Cc3ccccc3)C2)c(Cl)c1 78334772 XHWSRBZPZGHVQS-AWEZNQCLSA-N 297.789 3.676 30 20 CHED C=CCn1c(C)nn(CN(CC)CC(CC)CC)c1=S 123900067 ACUMHLRYQLOMRX-UHFFFAOYSA-N 296.484 3.624 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(O)c2)cnn1C(C)(C)C 188868743 MWFGWQREVUZIMF-CMDGGOBGSA-N 284.359 3.548 30 20 CHED C=CC[C@@H](CC)NC(=O)CSCc1ccc(C)cc1 410135862 PDEFYEBNQILAPK-OAHLLOKOSA-N 277.433 3.699 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nccs1 414302530 MOIQIAJIHISEHU-ZFWWWQNUSA-N 272.417 3.981 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(Cc2ccccc2)CC1 188535949 OPBGQVGMDNNGFS-QGZVFWFLSA-N 271.404 3.728 30 20 CHED C=CC[C@H](Cc1ccccc1)NC1CCN(C(C)C)CC1 414292312 BZEPOVVGLURQQM-LJQANCHMSA-N 286.463 3.636 30 20 CHED C[C@@]1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC=CCC1 410646305 YZGIVRISMMZZMW-GOEBONIOSA-N 288.778 3.767 30 20 CHED CCCCCCCN1CCC[C@H](N2CCCC2)C1 158354540 SENJTWYNXNGAMS-INIZCTEOSA-N 252.446 3.517 30 20 CHED C=C[C@@H](CC(=O)NCCc1cccc(F)c1)c1ccccc1 124232826 CFYQOVNIZIVNFD-INIZCTEOSA-N 297.373 3.844 30 20 CHED O=C(/C=C/c1c(Cl)nc2ccccn12)c1cccc(O)c1 32812227 QKBAZBGWYHFSFL-BQYQJAHWSA-N 298.729 3.589 30 20 CHED CCCC(C#N)(CCC)NC(=O)CO[C@@H]1CCCC[C@@H]1C 121722707 BQEGYVIBXRMTMS-LSDHHAIUSA-N 294.439 3.560 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1cccc(Cl)c1C 489423727 HBVCCYTYWTVLDZ-CYBMUJFWSA-N 292.810 3.627 30 20 CHED N#Cc1ccccc1CN1CCC(c2ccsc2)CC1 186937545 UPZIRXKSNYLOGO-UHFFFAOYSA-N 282.412 3.999 30 20 CHED C=CCC(C)(C)C(=O)NCc1c(C)oc2ccccc12 500468190 HPBXMQYQVXSBGS-UHFFFAOYSA-N 271.360 3.960 30 20 CHED C=C(C)CN(C)C(=O)C1(c2ccccc2)CCCC1 180378064 BBMAEGXYHHVIIN-UHFFFAOYSA-N 257.377 3.533 30 20 CHED N#Cc1cccnc1N1CCC(Cc2ccc(F)cc2)CC1 507042295 ZFGKOVRYILFHPN-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(Cl)c(C)c1 187062142 RMJRMRUBLOUGTB-UHFFFAOYSA-N 280.799 3.756 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 78474023 LTKRSNQWNSCJOQ-UHFFFAOYSA-N 299.296 3.781 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)CC(C)C)c1ccccc1 188763635 PMHIRNCZKYPSNQ-ZBFHGGJFSA-N 259.393 3.897 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 416282119 BRCQZVJFCNZYKP-CABCVRRESA-N 288.435 3.961 30 20 CHED COc1ccc(CC[C@H](C)NCc2cccc(C#N)c2)cc1 79720673 SZIMJAZWNFDKPS-HNNXBMFYSA-N 294.398 3.678 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(CC#N)c1 49618343 QJEGMUHUSKCBRY-ZDUSSCGKSA-N 296.345 3.725 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1cc(C)ccc1C 505227830 YIRQULDBFYNBGM-HNNXBMFYSA-N 289.444 3.985 30 20 CHED C[C@@H](CCC#N)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 412077845 UAYSQGZCAMZELY-GJZGRUSLSA-N 294.439 3.513 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)cc2)n1 41520432 APEAJXJFJYXAMB-NSHDSACASA-N 276.748 3.595 30 20 CHED C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ncc(C#N)cc1F 413181028 JJIGPLOATAKURC-XJKSGUPXSA-N 295.361 3.550 30 20 CHED N#CCN(C(=O)Cc1cccc(C2CC2)c1)c1ccccc1 415070329 UREXEEAJCJQUCJ-UHFFFAOYSA-N 290.366 3.663 30 20 CHED CCC(CC)C(=O)Nc1cccc(C#N)c1Br 416082492 STGLMNZTIJVXNK-UHFFFAOYSA-N 295.180 3.695 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(OC)c1 181040209 YQYMHVXWOBJAFS-GFCCVEGCSA-N 262.353 3.562 30 20 CHED CCOc1ccc(CNc2c(F)cc(C#N)cc2F)cc1 500516171 QHDVCIIPEPPFQD-UHFFFAOYSA-N 288.297 3.847 30 20 CHED CC[C@H](CC#N)N[C@H](C)c1ccc(Br)cc1 49525849 OAEBAXFGVIVVQU-ZWNOBZJWSA-N 281.197 3.792 30 20 CHED N#Cc1cccc(CSCC2(C#N)CCC2)c1F 419587985 SSLNXOFNKKXMQQ-UHFFFAOYSA-N 260.337 3.624 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cscc1C#N 410559423 CQVNUFMBRNHVCZ-BXUZGUMPSA-N 276.405 3.661 30 20 CHED CCCN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 419642533 NOCOCPVDULKLKI-QGZVFWFLSA-N 297.402 3.520 30 20 CHED CC[C@H](CNC(=O)Nc1cccc(C#N)c1)CC(F)(F)F 413905894 JQXQUBYQYGWGQF-JTQLQIEISA-N 299.296 3.658 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1cccc(C#N)c1C 509537479 GJBKPORPAWTLFK-UHFFFAOYSA-N 294.354 3.826 30 20 CHED C[C@H](NCC(C1CC1)C1CC1)c1ccc(OCC#N)cc1 88456051 GNTDPZFVHZZIGP-ZDUSSCGKSA-N 284.403 3.676 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(Oc2ccccc2)o1 410823840 BCTJQAPDKIDFMB-ZDUSSCGKSA-N 298.342 3.836 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/[C@@H]2CCCc3occc32)CCC1=O 328911631 GNRWWYPTJNBRQZ-NQBHXWOUSA-N 275.348 3.619 30 20 CHED Cc1cc2occ(CC(=O)N[C@@H](C)CC#N)c2cc1C(C)C 194744278 WRCQORBPNODTED-ZDUSSCGKSA-N 298.386 3.826 30 20 CHED C=CCN(C/C=C/c1ccncc1)c1ccccc1 425979655 UIHDYOUBFVQUQW-VOTSOKGWSA-N 250.345 3.787 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CCC[C@H]1C)c1ccccc1 130486963 NKXUICXDADBIAW-FMKPAKJESA-N 257.377 3.651 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 425150064 SQEGCVFSNGHDLL-GOEBONIOSA-N 282.387 3.565 30 20 CHED Cc1ccnc(CNc2ccc(C(F)(F)F)c(C#N)c2)c1 328299633 UGDCGDCFSMCJPS-UHFFFAOYSA-N 291.276 3.893 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@H](c3ccccc3)CC2)C1 429685886 NOSNVNOLYKUKTN-NJAFHUGGSA-N 268.404 3.948 30 20 CHED Cc1ccc2c(CC(=O)O[C@H](C)C(C)(C)C#N)c[nH]c2c1 131651901 KSLFYRGRVCFNBM-GFCCVEGCSA-N 284.359 3.500 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 48619483 HVWRBQZTGHAOGG-ZHZWZMEUSA-N 282.368 3.731 30 20 CHED C=C(C)C(C)(C)c1nc(C2(COC)CCCCC2)no1 424366930 YSVNQDIJPAPANL-UHFFFAOYSA-N 278.396 3.772 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1CC)C1CC1 514847389 XXTAPWCSJPWCFA-DLBZAZTESA-N 269.388 3.530 30 20 CHED CCCCCN(C(=O)c1cccc(C#N)c1C)C(C)C 510477724 KRVOGAVQHCUEEL-UHFFFAOYSA-N 272.392 3.908 30 20 CHED CCCCCCCC(=O)N1CCn2cccc2[C@@H]1C 192801752 YLMYQJUGCHEDGF-AWEZNQCLSA-N 262.397 3.752 30 20 CHED Cc1cc(C)c(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)o1 429607454 VJTLCIIGZOUQRZ-LBPRGKRZSA-N 293.326 3.571 30 20 CHED C=CCC1(C(=O)Nc2ccc(OCC)cc2)CCC1 190258420 YKBDLERNXXUZGD-UHFFFAOYSA-N 259.349 3.770 30 20 CHED N#Cc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 88191805 ANPJRCWZHALLLS-UHFFFAOYSA-N 290.244 3.829 30 20 CHED CCC1(CC)CCCN(C[C@@H](C#N)CCC#N)CC1 190410968 LOQGFKRBONPLDS-OAHLLOKOSA-N 261.413 3.722 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2cc3ccccc3s2)C1 335912739 HPRLQFUDCMSBJX-DGCLKSJQSA-N 256.374 3.683 30 20 CHED C[C@H]1CCN(C(=O)NCC(C)(C)C#N)CC12CCCCC2 512772863 GDXDFKYIADHGPS-AWEZNQCLSA-N 291.439 3.538 30 20 CHED Cc1cnccc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 516537823 UXKFEVAKZYSHLN-RBUKOAKNSA-N 291.398 3.662 30 20 CHED CS[C@H](C)C/N=C(/O)Nc1ncc(C(C)(C)C)s1 331294105 REXTXZWXVITBPC-MRVPVSSYSA-N 287.454 3.518 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(C(F)F)CC1 336170681 WQFZSBDQOXMCMI-NSHDSACASA-N 264.319 3.596 30 20 CHED Cc1cnccc1Sc1nc(C)c(C#N)cc1Cl 338845671 FDCWCNVAHZFFJA-UHFFFAOYSA-N 275.764 3.770 30 20 CHED C=CCOc1ccc(CN2CC[C@H]3CCC[C@H]32)cc1OC 428456409 HSJIRDNSECGNQJ-HZPDHXFCSA-N 287.403 3.634 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 331412775 GIUOXDCVWXJMNS-SOUVJXGZSA-N 291.439 3.536 30 20 CHED C=CCOc1cccc(CN[C@H]2CCCC[C@@H]2C)c1 518248866 XLTIQQAXSQLKFX-YOEHRIQHSA-N 259.393 3.920 30 20 CHED C=C[C@@H](CC(=O)N(C)c1ncccc1F)c1ccccc1 90127491 IMNWDNBIFVQOAG-ZDUSSCGKSA-N 284.334 3.543 30 20 CHED C#CCCOc1ccc(CN(CC)Cc2ccoc2)cc1 92935899 QDMDSOKRHLENQM-UHFFFAOYSA-N 283.371 3.704 30 20 CHED CCCc1nc(C)c(C(=O)N(C)c2cccc(C#N)c2)s1 143651392 DCRJPRNCNMQIFD-UHFFFAOYSA-N 299.399 3.552 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC12CCCC2 335082068 CDUOZOGNTMKSIH-BBRMVZONSA-N 282.387 3.658 30 20 CHED CC(C)CCn1ncc(N=C(O)N2CCCC2)c1C(C)C 331115963 NFILYGCKZWNAAK-UHFFFAOYSA-N 292.427 3.694 30 20 CHED C=C(C)CN1CCC(N[C@H](c2ccccc2)C2CC2)CC1 91334287 XRCXZNVUWQZSLV-LJQANCHMSA-N 284.447 3.768 30 20 CHED OC(=Nc1cccc(N=C(O)N2CCC23CCC3)c1)C1CC1 330143352 YULCCLSBHTZYDI-UHFFFAOYSA-N 299.374 3.859 30 20 CHED Cc1cnc(NC(=O)N[C@H](CCCC#N)c2ccccc2)o1 432947407 CKUPCWVLEUAQIO-CQSZACIVSA-N 298.346 3.540 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1-c1csc(C)n1 433783905 TVBJPDSJUPLEPE-SNVBAGLBSA-N 287.388 3.815 30 20 CHED C[C@H](/N=C(/O)N[C@H]1CCOC2(CCC2)C1)C1CCCCC1 330204722 CXLYGFCIFGHNBP-ZFWWWQNUSA-N 294.439 3.561 30 20 CHED C=CCn1c(C)cc(C(=O)CN(C)c2ccccc2)c1C 96965853 SAVFRGZJYMMSTL-UHFFFAOYSA-N 282.387 3.610 30 20 CHED C=C(CNCc1c[nH]nc1-c1ccc(C)o1)c1ccccc1 340437683 YNYASLVHOOCOCB-UHFFFAOYSA-N 293.370 3.781 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@H](CC)c1ccccc1 435747227 FQKJUTIDLODBPX-SZMVWBNQSA-N 273.420 3.751 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(Cl)c(OC)c1 439414635 MTPFRMZWGDMPCJ-SNVBAGLBSA-N 282.771 3.825 30 20 CHED C[C@H](CN(C)C(=O)C1(C#N)CCCC1)C1CCCCC1 600475609 AAHOQIOKZHWVBQ-CQSZACIVSA-N 276.424 3.745 30 20 CHED N#Cc1cccc(CCN[C@H]2CCCOc3ccccc32)c1 343601816 MPKYCCRMZUPNEE-SFHVURJKSA-N 292.382 3.604 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@H]2CCCC[C@H]2C)no1 346399817 FSLYBWZBKFLIIR-RFGFWPKPSA-N 276.380 3.812 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)[C@@H]2CCCO2)C1 248874737 JANFNAXRCOYAKZ-LAVFITLUSA-N 284.403 3.579 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCCC(C)(C)C#N 527049643 MEUIZNRYDLIFHN-QWHCGFSZSA-N 254.443 3.580 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1ccc(OC(F)F)cc1 602431017 BALXAGSAAFICMJ-LBPRGKRZSA-N 282.334 3.660 30 20 CHED N#Cc1cc(NC(=O)c2ccc3c(c2)CCCC3)ccc1F 609103385 SPEZETGQSSXTTG-UHFFFAOYSA-N 294.329 3.828 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H](C)c2ccc(F)cc2)n1 340134974 RDUZWSIWHSVJSQ-JTQLQIEISA-N 287.363 3.958 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@H](CC(C)C)C1 432563573 UGCKKUXFHAPFKO-CQSZACIVSA-N 266.429 3.666 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)n2)[C@@H](c2ccco2)C1 602482716 QCBHJYNAAAUQHC-CZUORRHYSA-N 281.359 3.519 30 20 CHED Cc1cc([C@H](C)NC[C@H](C)CCC#N)c(C)s1 602512798 UPOXZSVMMACUHV-PWSUYJOCSA-N 250.411 3.955 30 20 CHED C=CC(C)(C)CNCc1nc2cc(Cl)ccc2n1C 449484524 HRLSIZOPDMHTJC-UHFFFAOYSA-N 277.799 3.529 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C#N)cc2)C1 343616235 CTDLETBXAUBUAU-RDTXWAMCSA-N 290.366 3.782 30 20 CHED C[C@H](C(=O)NC(C)(C)C#N)c1c(Cl)cccc1Cl 608783166 NFBVCJRTMOPLKD-QMMMGPOBSA-N 285.174 3.515 30 20 CHED CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 609091461 VKVRFSQNPIXCQY-QGZVFWFLSA-N 293.370 3.582 30 20 CHED C=CCCCNC(=O)N(C)[C@@H](C)c1cc(C)ccc1C 448033929 FLOXUCBQKDPTNZ-HNNXBMFYSA-N 274.408 3.972 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cscc1C 354108155 UKLCKAUMAZJXMI-UHFFFAOYSA-N 285.372 3.612 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1occ2c1CCC2 351589822 PBXGNCWLXKMZIK-UHFFFAOYSA-N 295.382 3.639 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC1(C)C 354098150 UZTONBDBDUBPQF-ZDUSSCGKSA-N 285.391 3.755 30 20 CHED CCc1csc(NC(=O)C[C@H](CC#N)c2ccccc2)n1 355671560 JDLYJVSRYOLMRH-ZDUSSCGKSA-N 299.399 3.732 30 20 CHED Cc1ccc2sc(C[S@](=O)CCCCC#N)nc2c1 600921138 BTTXAPGHXDMIIZ-LJQANCHMSA-N 292.429 3.547 30 20 CHED C=CCn1c(C)nnc1N1CC[C@H](c2ccccc2)C[C@@H]1C 350752495 PBMJXHUZDIJTCN-YOEHRIQHSA-N 296.418 3.545 30 20 CHED C=CCN(C(=O)C1(c2ccccc2C)CCC1)C1CC1 351143053 RGQXNGRGEUGEPD-UHFFFAOYSA-N 269.388 3.594 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(F)cc2OCC2CC2)C1 442858984 ULVBAAWVNZBRDC-GXTWGEPZSA-N 274.339 3.719 30 20 CHED CC(C)(CCC#N)CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 449517051 IRFPOLXWPYBMGL-CVEARBPZSA-N 290.451 3.597 30 20 CHED Cc1nc(C(=O)NCC(C)(C)C2=CCCCC2)ccc1C#N 355680807 LYMAFLBGTKXKNZ-UHFFFAOYSA-N 297.402 3.518 30 20 CHED N#Cc1cc(F)ccc1CN[C@H](c1cccs1)C1CC1 537159244 KBGLLKMYDUUNKH-INIZCTEOSA-N 286.375 4.000 30 20 CHED N#C[C@@H](C(=O)c1ccc(C2=CCCC2)cc1)c1ccncn1 355211687 ZEMNQHFBUPWCMY-MRXNPFEDSA-N 289.338 3.534 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC=C(c2ccccc2F)C1 443131607 REIXSHHLRWGHOQ-KRWDZBQOSA-N 273.351 3.654 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2sccc2SC)C1 617783846 IFCLBVSYAVJQGC-NSHDSACASA-N 281.446 3.898 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](c1ccco1)N1CCCCC1 531948101 YLWMOVABUHCWDW-ULQDDVLXSA-N 290.451 3.997 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cnn(C)c1-c1ccccc1 353154021 ZJGFEZXFBRSZQG-CQSZACIVSA-N 298.390 3.563 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1cccc(F)c1C#N 610280186 FOTHGGYYHZYVCD-SJORKVTESA-N 266.319 3.839 30 20 CHED N#Cc1nccnc1SCc1ccc(C(F)(F)F)cc1 359744687 ZGPLSBLIFAJAAT-UHFFFAOYSA-N 295.289 3.659 30 20 CHED CC(C)[C@@H]1OCCC[C@@H]1CNc1snc(Cl)c1C#N 267590522 CSLMCLBFRRZFSF-KOLCDFICSA-N 299.827 3.531 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1nc(C(C)C)c(C)s1 359678590 MLNFGBQELLKHNJ-LBPRGKRZSA-N 295.452 3.729 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2cccnc21 619611416 MHUWONTVAGBNQT-QZTJIDSGSA-N 289.382 3.608 30 20 CHED CCc1cc(C#N)ccc1OCc1cccc(COC)c1 442101219 TTYSQAOQZQTYSA-UHFFFAOYSA-N 281.355 3.846 30 20 CHED C=CCCC1(C(=O)Nc2ccc3ncccc3c2)CC1 354601356 MYMCBDIOZOTNPY-UHFFFAOYSA-N 266.344 3.920 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1COC(C)(C)C 358419246 VVQBIYMHLGYJLA-ZDUSSCGKSA-N 275.392 3.696 30 20 CHED N#Cc1cccc(SC2Cc3ccccc3C2)c1 610722510 QGIBFRHYZZTZNT-UHFFFAOYSA-N 251.354 3.818 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)c(F)c1Cl 619016930 UVWBKPQTVMIMHX-HNNXBMFYSA-N 294.757 3.553 30 20 CHED Cc1ccc2c(c1)CN(c1cccc(F)c1C#N)C2 360269525 WTKMHMAGQVMGJO-UHFFFAOYSA-N 252.292 3.526 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccc2c3c(cccc13)CC2 264115141 KAVREYJGLPKDSD-GFCCVEGCSA-N 293.370 3.562 30 20 CHED Cc1csc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 453331002 ZDJCGLQKBKAXSL-NSHDSACASA-N 274.364 3.918 30 20 CHED C/C(=C\c1ccccc1)CN1CCC[C@](C)(C#N)C1 612406755 SLZQNHPKUHVTHW-GSPCDJLXSA-N 254.377 3.716 30 20 CHED C=CCC1(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)CCCC1 452149529 HBDSOQZDUHROKG-HNNXBMFYSA-N 273.420 3.914 30 20 CHED Cc1cccc2c(N3C[C@H](C)C[C@@H](C)C3)c(C#N)cnc12 610210871 FZCVYORVBXDQQQ-CHWSQXEVSA-N 279.387 3.897 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc(C#N)c(Cl)c1 619754910 OJZGPLLZINULQV-RYUDHWBXSA-N 262.784 3.902 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CC1CCC(C(C)(C)C)CC1 360499338 FTLFTBAXPXTAHO-NFOMZHRRSA-N 278.440 3.990 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@H]1CC(=O)c1ccco1 272344702 CCTVFGUGQXXZPV-LBPRGKRZSA-N 298.317 3.532 30 20 CHED C[C@@]1(C#N)CCCN(CCCOc2cccc(Cl)c2)C1 612165575 MPHQRANDZNNAGH-INIZCTEOSA-N 292.810 3.735 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2cc(F)ccc21 453365213 SHWIQLJTRHMWQM-BBWFWOEESA-N 275.367 3.526 30 20 CHED CC[C@H](NC[C@@H]1CCCN(C(C)C)C1)c1ccc(C#N)cc1 278833104 UFUJGPUGRXJIHX-HKUYNNGSSA-N 299.462 3.719 30 20 CHED Cc1ccnc(NC[C@@H](c2cccnc2)C(C)C)c1C#N 273309891 ILHLCRJHVPAJCF-MRXNPFEDSA-N 280.375 3.508 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCC(C)(F)F 458889125 QTXLVOPXRDGFTK-UHFFFAOYSA-N 288.382 3.810 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](CC)C1CCC(C)CC1 546597420 DHLBLIGYIUBOBZ-CVSAEHQPSA-N 264.413 3.647 30 20 CHED CN(C(=O)CC(C)(C)C#N)[C@@H]1CCC[C@@H]1c1ccccc1 458032334 UHVBRWMUROHKFE-HZPDHXFCSA-N 284.403 3.721 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NCCCSCC#N 547832864 FVYQKBCLAXHLDZ-KGLIPLIRSA-N 254.443 3.582 30 20 CHED C=CC(C)(C)CNC(=O)c1ccccc1NCc1ccco1 452773175 HSNCTPPIDZLZPZ-UHFFFAOYSA-N 298.386 3.834 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)n([C@H](C)C2CC2)n1 620857697 GEFFNTBJZZFZPQ-CYBMUJFWSA-N 289.423 3.637 30 20 CHED CC(C)c1cccc(CNC(=O)NCC(C)(C)CC#N)c1 458645237 CRKGPNQWCXAPQT-UHFFFAOYSA-N 287.407 3.549 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 364057834 RGGQBLQVLFOJOK-CRAIPNDOSA-N 299.414 3.798 30 20 CHED CCC[C@@H](NCc1cccc(C#N)c1)[C@@H](O)c1ccccc1 279730304 VXIGAOLIRKRYIW-MOPGFXCFSA-N 294.398 3.550 30 20 CHED Cc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)[C@@H](C)C2 459725592 DDZACKDWBPMEPI-XJKSGUPXSA-N 256.393 3.758 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H]2CCC[C@H]2F)c1 454683002 YRASGULMTBKDEM-CABCVRRESA-N 292.354 3.654 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@H](C3CC3)C2)cc1 377884586 OXUFLQMEROPGPO-PBHICJAKSA-N 284.403 3.599 30 20 CHED CC#CCCCC(=O)N[C@H]1CCCO[C@@H]1c1ccc(C)cc1 466444064 QJQMDYMLUHQEJQ-PKOBYXMFSA-N 299.414 3.525 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCSc2c(F)cccc21 276008295 AKNIRKAZDSIIJJ-CYBMUJFWSA-N 294.395 3.580 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H]1c1ncc[nH]1 375066552 RWDDZXRKQDEERF-AWEZNQCLSA-N 277.412 3.824 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccccc1Cl)C(C)C 464759367 XOHFSJJNVPRPTR-FZMZJTMJSA-N 280.799 3.911 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](C)Oc2ccccc2F)n1 463079938 NESQGKOXCISOCB-CYBMUJFWSA-N 299.349 3.589 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 281291256 IJORGCADZJUXKA-QJPTWQEYSA-N 297.320 3.678 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(-c2ccccc2)nn1C 620864547 HJAVTZRONRKZDA-UHFFFAOYSA-N 297.402 3.562 30 20 CHED C=CCCOCC(=O)N[C@H](c1ccccc1)C1CCCC1 620239432 LVMGRUCEXRVVDD-GOSISDBHSA-N 287.403 3.627 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 468016894 KNKAIMVTAWGYHZ-WBMJQRKESA-N 295.810 3.826 30 20 CHED COc1ccc(C)cc1NCCCC1(C#N)CCOCC1 280924017 DIZJVMYULHKMID-UHFFFAOYSA-N 288.391 3.516 30 20 CHED C[C@H](C(=O)NCC1(C)CCCCC1)c1cccc(C#N)c1 462190670 SYIWLWXUWYWINW-AWEZNQCLSA-N 284.403 3.748 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](CC)Oc1cccc(C)c1 556537448 GVUKCXLKQLDGIB-HNNXBMFYSA-N 289.419 3.871 30 20 CHED CC(C)CCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 378356517 PCOONTXHKOQWQT-UHFFFAOYSA-N 282.387 3.610 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 285067998 JVFBLSJMVQLCFO-DYVFJYSZSA-N 288.391 3.658 30 20 CHED C=CC[C@H](CC)NC(=O)[C@]1(C)CCc2ccccc2C1 466546770 ZFUOBELDCLVVNO-FUHWJXTLSA-N 271.404 3.653 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(C)c(F)cc1Cl 287384037 AGUYOUHNKIYZOC-SECBINFHSA-N 283.734 3.601 30 20 CHED Cc1cccc2cc(C(=O)N(C)[C@@H](C)CC#N)sc12 289851431 FOWCSFKEWUAIKS-NSHDSACASA-N 272.373 3.584 30 20 CHED CC(C)(C)C1=CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 285890889 XNEYAMLFXIZTHB-UHFFFAOYSA-N 286.350 3.516 30 20 CHED N#CC1(CCCNc2ccc(Cl)cc2F)CCOCC1 281359140 XPJTUHXNFSZTCS-UHFFFAOYSA-N 296.773 3.992 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(O)c(CC)c2)c1 557560388 NESDNITYUGLQSB-UHFFFAOYSA-N 297.354 3.772 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H](C2CC2)C1)c1ccccc1 291050621 ZUNOPOQYKHMQFK-QAPCUYQASA-N 283.415 3.995 30 20 CHED C=CCC(C)(C)CNCc1nc2cc(Cl)ccc2n1C 550226752 FDKARKPDFLHWLC-UHFFFAOYSA-N 291.826 3.919 30 20 CHED C=CCCCCCN(Cc1ccccc1)[C@H](C)CO 1339344352 FHFPUYZPOONWLB-MRXNPFEDSA-N 261.409 3.616 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801898171 NICBAKFMBXEATJ-QWRGUYRKSA-N 289.228 3.561 30 20 CHED C#C[C@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 806086738 VAYCXGGAYULKIJ-ZETCQYMHSA-N 290.672 3.502 30 20 CHED C=CCCC1(C(=O)NCC2(N(C)C)CCCCCC2)CC1 474293337 RDZXHEYEFCEDJA-UHFFFAOYSA-N 292.467 3.504 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(SC(F)F)c1 806252791 KGJXBUVHTJOYJO-JTQLQIEISA-N 298.358 3.925 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 806265005 SRFQJNGPFYVRIN-LLVKDONJSA-N 299.374 3.659 30 20 CHED C=CCC(C)(C)c1nc(-c2coc(CCC)n2)no1 293080192 RKTYDZDRLCPTPL-UHFFFAOYSA-N 261.325 3.531 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccco2)c(-c2cnn(C)c2)c1 802705147 BOVDOFQFYZDSAK-FPLPWBNLSA-N 292.338 3.885 30 20 CHED CC#CC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 801197180 WWUWJFBDGAVJRR-CQSZACIVSA-N 295.304 3.782 30 20 CHED Cn1cc(-c2ccc(C=NOC3CCCCC3)s2)cn1 800816897 SAIKPHVNBXNXOU-UHFFFAOYSA-N 289.404 3.832 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cc(F)ccc1O 806177436 AJPLCYOVPJPPJG-LLVKDONJSA-N 264.344 3.512 30 20 CHED C=CCCCCNC(=O)N(C)C1CCCCCC1 474086382 CHADGWCIXGDEET-UHFFFAOYSA-N 252.402 3.707 30 20 CHED C[C@@H](NCCc1ccc(F)cc1F)c1ccc(C#N)cc1 561493203 VTXWAQBCALXQHW-GFCCVEGCSA-N 286.325 3.730 30 20 CHED Cc1cc2c(cc1C)C(=NN[C@H]1CCSC1)CCS2 807999639 SERPBCWHXZRMBO-LBPRGKRZSA-N 292.473 3.598 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccc(C(F)(F)F)cc1 298753672 NKOMECNHZGICMI-UHFFFAOYSA-N 298.308 3.589 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)OCCO[C@@H](C)C#N 801840331 LDXLNPXCHAGNFI-HOCLYGCPSA-N 295.423 3.701 30 20 CHED C=CCCCCCN[C@@H](CCO)c1ccccc1F 646069979 FJMCNLQFNCRMDE-INIZCTEOSA-N 265.372 3.585 30 20 CHED N#CCCCCCC(=O)OCc1cccc(F)c1Cl 805697281 WTMMAFADPAGUCZ-UHFFFAOYSA-N 283.730 3.996 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(CC)CCO[C@@H](C)C#N 801924541 WSMUXLJLOAOPSU-FUHWJXTLSA-N 288.435 3.567 30 20 CHED C=CCN(C(=O)c1ccc(C(C)(F)F)cc1)C1CC1 293557214 ULJZNVBHEICDRQ-UHFFFAOYSA-N 265.303 3.589 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc2c(O)nccc12 640227336 BAULLLDYZTXDRS-GFCCVEGCSA-N 297.358 3.513 30 20 CHED C=CCCCCCCN[C@H](CC)C1CCOCC1 806168050 UUWJIHFGGYTGIV-MRXNPFEDSA-N 253.430 3.918 30 20 CHED C=CCCCCCCCCNC(=O)N1CC[C@@H]1C 807592311 QGTMPCNOVXRCBU-AWEZNQCLSA-N 252.402 3.707 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CC[C@@H](C)C1 474126753 UJADXJYYGJPCNI-CHWSQXEVSA-N 275.417 3.883 30 20 CHED CC#CCN[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 646062615 UEPGWIBGXBRDPH-ZDUSSCGKSA-N 284.256 3.523 30 20 CHED C=CCCCCCn1cc([N+](=O)[O-])c(=O)c2ccccc21 487928726 JSUPWLQOUSVWIJ-UHFFFAOYSA-N 286.331 3.656 30 20 CHED C=CCC1(C(=O)NCc2cc(C(C)C)no2)CCCC1 648932933 UMHSQKFBEFAIHM-UHFFFAOYSA-N 276.380 3.551 30 20 CHED C=CCC(F)(F)C(=O)NCCC1=CCCCCC1 816131542 ZAMXYCRDLFNFPQ-UHFFFAOYSA-N 257.324 3.595 30 20 CHED Cc1cc(C)nc(NN=C2CC[C@H](Cc3ccccc3)C2)n1 814681298 FSNLHDYNYLCKGM-MRXNPFEDSA-N 294.402 3.904 30 20 CHED C=CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 488714335 FDDZOTPZIJNLNM-DZJNRPSUSA-N 283.415 3.899 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC[C@H](C)C1)c1ccccc1 481141279 LNYJGVSXKSIMBM-XJKSGUPXSA-N 272.392 3.578 30 20 CHED Cn1ccc2c(NC(=O)[C@@]3(C#N)CC34CCCC4)cccc21 577030664 GHKUOAOSCUNXBX-SFHVURJKSA-N 293.370 3.591 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cccc(C(=O)O)c1Cl 814917926 WDBFIFWGIRDJQE-LBPRGKRZSA-N 294.782 3.540 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@@H](CC)OC)cc1 810260527 LHPXQQRJFGYCGM-DZGCQCFKSA-N 297.826 3.894 30 20 CHED C=CCCCN[C@@H](c1ccc(OC)cc1)c1ccccn1 652194627 VZOJEQXYVRJHAH-SFHVURJKSA-N 282.387 3.735 30 20 CHED CC(C)c1cnc(C=NNc2cnnc3ccccc23)s1 814849094 HSYDEXXKSZHUCA-UHFFFAOYSA-N 297.387 3.656 30 20 CHED C=CCC(F)(F)C(=O)NC(C)(C)c1ccc(CC)cc1 815768779 JWBMJVQQBHETTL-UHFFFAOYSA-N 281.346 3.812 30 20 CHED CC[C@H](/N=C/c1c(O)cccc1OC)c1nc(C)cs1 729641799 XZLCTIRCCDMALB-WIJRQFRKSA-N 290.388 3.736 30 20 CHED C=CCOc1cccc(NC(=O)C(C)(C)C2CC2)c1 485987661 UAYZUAOTQRCSPM-UHFFFAOYSA-N 259.349 3.626 30 20 CHED CC1(C)CCC[C@H](C=NNC[C@@H]2CCSC2)C1 811657214 IDEPROCBLVCFPX-STQMWFEESA-N 254.443 3.531 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCCN1CCCCCC1=O 657822272 YOEIAQMRMWQPML-SJORKVTESA-N 292.467 3.504 30 20 CHED CC[C@@H](C=NNc1ncncc1Cl)c1ccccc1 814909571 NJLDWTINTBEASS-NSHDSACASA-N 274.755 3.722 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](C)c1cccc2ccccc12 811992547 JZVLVFHXKJSGBB-HIFRSBDPSA-N 280.371 3.612 30 20 CHED C=CCN(C(=S)Nc1ccc(OC)c(Cl)c1)C(C)C 726903691 QSNNSPJAIVZAOL-UHFFFAOYSA-N 298.839 3.942 30 20 CHED C=CCN(Cc1ccc2nonc2c1)Cc1ccccc1F 821362453 IHDLKYUTSYMEJM-UHFFFAOYSA-N 297.333 3.550 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCc2c(C)cccc21 579618691 HPBQFOWJLNMNQW-HNNXBMFYSA-N 257.377 3.701 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1cccs1 726739432 MCUPYDIJHZRHFO-UHFFFAOYSA-N 284.344 3.634 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(Cl)c(Cl)cc1F 491619766 BRQFMDHHVKHFFP-ZETCQYMHSA-N 289.137 3.618 30 20 CHED C#C[C@@H](NC(=O)Nc1cc(SC)ccc1Cl)C(C)C 824475007 XFWJAXSITDTFDQ-GFCCVEGCSA-N 296.823 3.841 30 20 CHED C#CCSc1ncc(-c2ccccc2)n1Cc1ccco1 829403225 CSHOQGLKLBTDNY-UHFFFAOYSA-N 294.379 3.917 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)OCc1ccc(CC#N)cc1 820505697 YTNDOEMSDRRYRV-BBRMVZONSA-N 271.360 3.622 30 20 CHED C#Cc1cccc(NC(=S)N(CC)[C@H](C)C(C)C)c1 726482319 HTWFUOVLXFACDN-CYBMUJFWSA-N 274.433 3.731 30 20 CHED C=C[C@H](CC)CC(=O)NCCC[C@@H]1CC1(Cl)Cl 824074109 CGPIOHPQFOSGDF-GHMZBOCLSA-N 278.223 3.679 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)CCCC1 821830715 IMFBWYIXCMWMHP-HZPDHXFCSA-N 293.451 3.690 30 20 CHED N#CCCCOc1cccc(C=NNc2ccccc2F)c1 726736987 CPDWZJQZVZIGHD-UHFFFAOYSA-N 297.333 3.954 30 20 CHED CCc1cccc(C(=O)N(CCC#N)c2ccc(C)cc2)n1 825477259 SQLOHLUUIKEIHG-UHFFFAOYSA-N 293.370 3.513 30 20 CHED O=C(CC1CC1)Nc1cccc(C#Cc2ccccc2)c1 498692462 DBOIDCHUIUOGOQ-UHFFFAOYSA-N 275.351 3.825 30 20 CHED CC(C)C[C@@H](C)OC(=O)N(C)c1cccc(C#N)c1 496703547 STRYYGAAEPZDEL-GFCCVEGCSA-N 260.337 3.566 30 20 CHED CC(C)c1cccc(C(=O)N(O)Cc2ccc(F)cc2)c1 901371604 FTGFFSNGVMRCCI-UHFFFAOYSA-N 287.334 3.981 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H](c1ccccc1)c1ncc[nH]1 820506069 FNODOQLOUISFGS-PBHICJAKSA-N 297.402 3.560 30 20 CHED C=C(C)CCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 496532317 HIJMFFDQCCQRPQ-AWEZNQCLSA-N 288.391 3.602 30 20 CHED Cc1ccc(C=NNCc2ccc(F)c(F)c2)cc1F 731486607 QBQGLKHAZCUTTB-UHFFFAOYSA-N 278.277 3.536 30 20 CHED COCc1ccc(N=Cc2cc3ccccc3nc2O)cc1 588595760 FIGLZOVZPZMZSD-UHFFFAOYSA-N 292.338 3.837 30 20 CHED N#Cc1ccc(CN(C(=O)/C=C\C2CCCC2)C2CC2)cc1 493313416 BCNJOMFTDSUQME-XFXZXTDPSA-N 294.398 3.796 30 20 CHED C[C@H](Sc1ccccc1C#N)c1ccc(C(=O)O)o1 736712166 JEPYYLKYLMBFMT-VIFPVBQESA-N 273.313 3.703 30 20 CHED C=C(C)CN(CC)Cc1cncc(Br)c1C 667473605 PKPJGQOFHYKPHS-UHFFFAOYSA-N 283.213 3.551 30 20 CHED Clc1cccc2c1OCCCC2=NNc1ccccn1 733745893 DVGQANCPFYQOJV-UHFFFAOYSA-N 287.750 3.724 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cc(Br)ccc1F 903105577 FBERPGIZMCRVNZ-SECBINFHSA-N 297.171 3.543 30 20 CHED C=C(Cl)CNC(=O)c1ccc(C#Cc2ccccc2)cc1 736246656 DQFLQXFVVMVDGQ-UHFFFAOYSA-N 295.769 3.569 30 20 CHED C#CCN(C(=O)[C@@H](CC)OC1CCCC1)C1CCCCC1 733099301 FCSFNQYVMULIRX-QGZVFWFLSA-N 291.435 3.519 30 20 CHED C=CCCC[C@@H](N)c1nc(Cc2ccc3c(c2)CCC3)no1 904681142 AWONDSUNNSYVOD-MRXNPFEDSA-N 297.402 3.505 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2n1C 835038303 VKMJNWHGLLRBTC-MCIONIFRSA-N 295.386 3.576 30 20 CHED CCCCC(CC)=NNC(=S)NCc1ccc(F)cc1 732923469 BTYMVQACYCSELI-UHFFFAOYSA-N 295.427 3.746 30 20 CHED C=C(C)CNC(=S)Nc1cccc(Cl)c1OC(C)C 735627054 RPCCFHBNSAGFOE-UHFFFAOYSA-N 298.839 3.990 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@](CC)(C(=O)O)c1ccccc1 901900738 ZHUDGBRMBWMSNL-MPGHIAIKSA-N 289.419 3.609 30 20 CHED Cc1ccc2cc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)ccc2n1 839057696 UIJCWZSQCMAQPX-CZUORRHYSA-N 294.354 3.782 30 20 CHED CC[C@@H](NCc1cccc(N(C)C)c1)c1cccc(C#N)c1 902791340 UOSKOTBSCGBMQL-LJQANCHMSA-N 293.414 3.865 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1c(F)cccc1F 902792992 JPLCZSZHDBVHLH-JTQLQIEISA-N 253.292 3.530 30 20 CHED N#CCCCCCc1nc(-c2ccccc2F)no1 589080281 UNZSGJJPJAOEAA-UHFFFAOYSA-N 259.284 3.502 30 20 CHED C=C(C)COC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 839163033 MQFYTPQIWDXQSY-RRFJBIMHSA-N 268.397 3.583 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H](Nc2ccccc2)C1 588649636 WODOABBGXUYVSB-QGZVFWFLSA-N 299.418 3.564 30 20 CHED C#CCCCc1nc(-c2ccc(C)c(Cl)c2)no1 834750848 FVYPVCPXPILVEC-UHFFFAOYSA-N 260.724 3.654 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1cccc(C)n1 838592204 QIPDXMFWINHDLY-UHFFFAOYSA-N 289.423 3.668 30 20 CHED COc1ccc(/C=C2/COc3ccc(C)c(C)c3C2=O)cc1 737444687 SIFUBFQLBWELIZ-GDNBJRDFSA-N 294.350 3.971 30 20 CHED N#CCOc1cccc(OCCCCC2(C#N)CCC2)c1 902753164 HATKFTSBKVGDOR-UHFFFAOYSA-N 284.359 3.832 30 20 CHED C=CCONC(=O)N(CCCC)[C@@H](C)c1ccccc1 838704341 TXSBQUABUUEGIG-AWEZNQCLSA-N 276.380 3.677 30 20 CHED CC[C@@H]1CN(c2cc(C#N)ccn2)CC[C@@H]1c1ccccc1 583862988 DJMAXYRPHPKAKQ-AEFFLSMTSA-N 291.398 3.973 30 20 CHED Cc1ccc(CCOC(=O)CCc2ccc(C#N)cc2)cc1 735397007 LBSZEENAOGSJOA-UHFFFAOYSA-N 293.366 3.585 30 20 CHED C=CCNC(=S)N[C@@H](c1ccccc1)C(CC)CC 918723185 BJGWSVFLBGKAHW-OAHLLOKOSA-N 276.449 3.814 30 20 CHED C#Cc1cccc(NC(=O)N2CC(C3CCCCC3)C2)c1 836252775 ASBLDZHHUNWCLB-UHFFFAOYSA-N 282.387 3.712 30 20 CHED C[C@H]1CC(=NNc2nc(C(F)(F)F)cs2)C[C@@H](C)O1 834965109 VRJAHWJOGOGKSO-KNVOCYPGSA-N 293.314 3.517 30 20 CHED C=CCCSCCNCc1cc2ccncc2s1 594969642 XVJGUXCBUXIVOI-UHFFFAOYSA-N 278.446 3.695 30 20 CHED COc1ccc(C(C)=NNc2ccc(C)cc2)c(F)c1 916250537 KZJSDFPVZDGDCT-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C=C[C@H](CC(=O)NC[C@H](C)C1CC1)c1ccccc1 677522929 NXVABQDNYYBUEF-UONOGXRCSA-N 257.377 3.509 30 20 CHED C=CCOCC(=O)N(c1ccccc1)[C@H](C)c1ccccc1 591671519 REPKIGVVXNWZDU-MRXNPFEDSA-N 295.382 3.983 30 20 CHED CCC1(CC)CCC(NC[C@@H](O)CC(C)(C)C#N)CC1 598723768 KERPFIJHGVYBIL-HNNXBMFYSA-N 280.456 3.626 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1c2ccccc2CC[C@H]1C(C)C 593606216 CBNXYUXPNMPYKC-UKPHBRMFSA-N 284.403 3.612 30 20 CHED CCCOc1ccc(CN2CCC[C@@H](CC#N)C2)c(C)c1 597177015 LOYSUJMKRABMCL-INIZCTEOSA-N 286.419 3.910 30 20 CHED COCC(=NNc1ccccc1C(F)(F)F)C(C)C 741452003 ZZHFMASEWUBFPC-UHFFFAOYSA-N 274.286 3.776 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)CCSCC)C1 595539877 NNKXEVSUTPRLMJ-UONOGXRCSA-N 284.469 3.516 30 20 CHED Cc1ncsc1/C=C/C(=O)c1nc2ccccc2s1 742432679 ZYRIIHBVUFLPEU-VOTSOKGWSA-N 286.381 3.957 30 20 CHED COc1ccc(CN[C@H]2CSc3ccccc32)cc1C#N 742371830 GINSLKWTESUQGV-HNNXBMFYSA-N 296.395 3.503 30 20 CHED C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 846964735 RFEWWXMICADPAC-YYIAUSFCSA-N 293.451 3.521 30 20 CHED C=CCC[C@@H](O)CNC(C)(C)c1ccc(C(C)C)cc1 675496301 PUUUGWQWBVARPJ-QGZVFWFLSA-N 275.436 3.962 30 20 CHED CSc1ccc2c(c1)C(=NOC[C@H]1CCOC1)CCC2 842532227 YSRPAFFPKBUPAX-LBPRGKRZSA-N 291.416 3.502 30 20 CHED Clc1cccc(C=NNc2ccc(Cl)nc2)c1 743450118 GLFMZDXAYLKZDM-UHFFFAOYSA-N 266.131 3.834 30 20 CHED CCCCCCCCCN(C)Cn1ccsc1=O 746612154 RDHFTMAUUDSQBA-UHFFFAOYSA-N 270.442 3.550 30 20 CHED CCN(CCc1ccc(C#N)cc1)Cc1cccs1 595288862 QMJDFCFJORWNLC-UHFFFAOYSA-N 270.401 3.684 30 20 CHED CCc1cccc2cc(CN(CC)CCC#N)oc12 596983062 NAJXGBKGXITWAT-UHFFFAOYSA-N 256.349 3.731 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(C2CCCC2)cc1)C1CC1 598134648 JPBIDRJSFWYNDT-ZDUSSCGKSA-N 282.387 3.861 30 20 CHED Cc1cc([C@H](C#N)C(=O)C[C@@H](C)CC(C)(C)C)nc(C)n1 916880117 KNUVDASPWXFRRK-RISCZKNCSA-N 287.407 3.732 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1O 840788355 ZTLYRCFBPXVRPW-CYBMUJFWSA-N 264.344 3.512 30 20 CHED C=C(C)CNC(=S)NC1CCC(c2ccccc2)CC1 914704455 MBFIIULHUWMLHU-UHFFFAOYSA-N 288.460 3.753 30 20 CHED C=CCCCC(=O)OCc1coc(-c2cccs2)n1 748234478 SBVATAKGYXNART-UHFFFAOYSA-N 277.345 3.803 30 20 CHED CC#CCOC(=O)[C@H](C)c1c(Cl)cccc1Cl 744919586 PHXLMFSBCNEZIB-SECBINFHSA-N 271.143 3.663 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2C[C@H]2C2CCCCC2)c1 741506072 BAHLQYAWDCLKQS-DLBZAZTESA-N 298.455 3.923 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 592754230 DZDFSZGBQODTJR-YOEHRIQHSA-N 270.376 3.536 30 20 CHED C=CCCCCNC(=O)c1cc2c(C)cc(C)nc2s1 681144768 CNBYRFQFCWJPOR-UHFFFAOYSA-N 288.416 3.999 30 20 CHED N#Cc1cccc(C(=O)NCC2CCCCCCC2)c1 917821235 GMYQVLPZJHFIMC-UHFFFAOYSA-N 270.376 3.649 30 20 CHED C=CCCSCC(=O)NC1CCCCCCC1 740003472 YZRSDXPEBMTDML-UHFFFAOYSA-N 255.427 3.525 30 20 CHED CCCON=C(C)c1ccc(SC)c(OC)c1 842556855 MJEHUWHTDQXSNG-UHFFFAOYSA-N 253.367 3.568 30 20 CHED CC[C@@H](SC)C(=O)N(c1ccc(C#N)cc1)C1CCC1 598886020 BOERUMSZTVUBDH-OAHLLOKOSA-N 288.416 3.585 30 20 CHED Cc1ccccc1CCN(C)[C@H](C#N)c1ccccc1 595508133 UGTAIPPNYFZDLD-GOSISDBHSA-N 264.372 3.734 30 20 CHED C[C@H]1CN(c2ccc(F)cc2C#N)Cc2ccccc21 742390005 PYYBUSUUQCCRTE-LBPRGKRZSA-N 266.319 3.821 30 20 CHED C=C(C)CONC(=O)Nc1c(C)cccc1C(C)C 844481323 GBMKWOYGCMDNRP-UHFFFAOYSA-N 262.353 3.748 30 20 CHED C[C@H](CCc1ccccc1)N1CCC[C@H](CC#N)C1 595615900 UMDDEHDKCXDGOP-NVXWUHKLSA-N 256.393 3.633 30 20 CHED N#CC1(C(=O)Oc2ccc(Cl)c(F)c2F)CCCC1 841310861 KCENHJZVBHEEPB-UHFFFAOYSA-N 285.677 3.608 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccc(C)o1 742581444 RYWIPMXPPSBVFE-LBPRGKRZSA-N 298.342 3.601 30 20 CHED C#CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 742076550 OXBGMHBDCMUJEF-QWHCGFSZSA-N 296.197 3.625 30 20 CHED CC(CCc1ccco1)=NNc1oc(C(C)C)nc1C#N 745612007 KMIPWCIKJLUJRL-UHFFFAOYSA-N 286.335 3.683 30 20 CHED CSCCC=NNc1cccc(C(F)(F)F)c1 920955139 NWNFSDKTIHIZOH-UHFFFAOYSA-N 262.300 3.856 30 20 CHED CC#CCN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 759771048 AMGNHKKTLOUTPP-CQSZACIVSA-N 293.842 3.661 30 20 CHED Cc1nc(-c2ccc(Cl)c(Cl)c2)nc(C#N)c1C 1898208148 NFMVMSXTSFOSPY-UHFFFAOYSA-N 278.142 3.939 30 20 CHED Cc1ccc(O)c([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 756626331 NUCCADPYEZWILB-KGLIPLIRSA-N 280.371 3.984 30 20 CHED C=CCNC(=S)Nc1ccccc1CCC(F)(F)F 756799365 UCUODYAJKGTKEJ-UHFFFAOYSA-N 288.338 3.654 30 20 CHED C[C@@H]1CCC[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)C1 851210933 ZVYJWUBOMFMAAJ-UPJWGTAASA-N 251.370 3.684 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 684084903 MSRXNRYBKZKQIS-UHFFFAOYSA-N 289.378 3.568 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H](NC(C)C)C1 755077575 HBJVJNJICZDWJG-MRXNPFEDSA-N 297.487 3.519 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1cc(F)ccc1O 757468172 OSLSMNZKSHPSMW-XQRVVYSFSA-N 278.229 3.706 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1(Cl)CC1 926603978 XVWDFIMISWUHNV-IAQYHMDHSA-N 274.795 3.685 30 20 CHED CC(=NOCC(F)F)c1ccc2cc(O)ccc2c1 758902107 BYJOXJGFXCZFDI-UHFFFAOYSA-N 265.259 3.551 30 20 CHED C=C[C@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 756798189 QJAFBYUVPKVVFC-QMMMGPOBSA-N 274.311 3.566 30 20 CHED C#CC[C@@H](NCc1cccc(F)c1F)c1ccccc1 756995401 HRGJJKPSWGWHEM-MRXNPFEDSA-N 271.310 3.819 30 20 CHED C#CC[C@@H](NCc1ccc(C)c(F)c1)c1ccccc1 756996022 CPWXHPILDRLIIO-GOSISDBHSA-N 267.347 3.988 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1ccc(O)c(F)c1)C2=O 755600080 FPJOLNJTAQCNBS-AUWJEWJLSA-N 293.297 3.615 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H](CCC)C1)c1ccccc1 757058792 IWUCPRYHRNBCQC-AEFFLSMTSA-N 298.430 3.973 30 20 CHED CCN(C(=O)/C=C(\C)c1cccc(Cl)c1)[C@@H](C)C#N 856076186 WPYNELGQKXJIIL-OBIHZWKSSA-N 276.767 3.504 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cc(C)c(C)cc2C)[nH]1 751512795 KQFDHPIOPDKETL-VURMDHGXSA-N 297.354 3.623 30 20 CHED C=C[C@@H](CC)CC(=O)N(CCC)Cc1ccc(C#N)cc1 929970891 JEFAETOTTGVKSF-HNNXBMFYSA-N 284.403 3.899 30 20 CHED Cc1cccc(NN=Cc2c[nH]nc2-c2ccccc2F)c1 755466089 ZMMMGAHDLKERPE-UHFFFAOYSA-N 294.333 3.970 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C(C)=O)cc1C 759071193 YVZUCVFAOJIYFH-UHFFFAOYSA-N 272.344 3.871 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H](C)c2ccc(F)cc2)c1 920178348 OVTFECNCIBEYQQ-ZGXHQARYSA-N 287.334 3.763 30 20 CHED C[C@H](/N=C\c1ccccc1O)c1ccc(F)cc1F 752153132 YCWXLVCNJZEUQL-OAOMGELKSA-N 261.271 3.851 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@H]1c1c(C)cccc1C 852278301 VZCYCJZJANDLGG-HOTGVXAUSA-N 284.403 3.562 30 20 CHED COc1ccc(CCC(C)=NN2CCCC[C@@H]2C)cc1O 853379059 FOVNBRHXFQLNHG-AWEZNQCLSA-N 290.407 3.584 30 20 CHED C#CC(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 754000069 MQSUVTTXSTXDIA-MRXNPFEDSA-N 289.806 3.581 30 20 CHED C#CC[C@H](OC(=O)CCc1c[nH]c2cc(C)ccc12)C1CC1 750775689 WCKGQWJPCJXINW-SFHVURJKSA-N 295.382 3.754 30 20 CHED C#C[C@](C)(CC)NCc1ncc(-c2ccccc2C)o1 852101912 IIASFLVMSPFJBM-QGZVFWFLSA-N 268.360 3.542 30 20 CHED CCCc1ccc(C=Nn2cc(Br)cn2)s1 857211702 LWDZIUJEVHNVSC-UHFFFAOYSA-N 298.209 3.542 30 20 CHED C#CC[C@@H](NC(=O)C[C@H](CC)C(C)C)c1ccccc1 757581983 XEPLGKGNUUSKLY-DOTOQJQBSA-N 271.404 3.940 30 20 CHED C[C@@H](C=NNc1c(F)cccc1Cl)CCC#N 766028736 GSKFWBQLJGMJKN-SECBINFHSA-N 253.708 3.817 30 20 CHED C#CCOc1ccc([C@H](C)NC(C2CC2)C2CC2)cc1 765351617 RAXZFPOXUQZTPD-ZDUSSCGKSA-N 269.388 3.538 30 20 CHED C[C@H]1CCc2sc(C(=O)OCC3(C#N)CCC3)cc2C1 768092482 ZUICIXDKRSWKJE-NSHDSACASA-N 289.400 3.724 30 20 CHED C[C@@H](NC(=O)C(F)=C1CCCC1)c1cccc(C#N)c1 763057653 NOPUDTFVJHFIRX-LLVKDONJSA-N 272.323 3.533 30 20 CHED C=CC[C@H]1N(C(=O)CSC(F)(F)F)CCCC1(C)C 767227500 FGQYAUAFOUNQOY-SNVBAGLBSA-N 295.370 3.833 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@H](C)c1nc2ccccc2o1 934000062 JLLKVGXYBRQPKY-STQMWFEESA-N 286.375 3.650 30 20 CHED CC(C)c1cnc(COc2ccc(C#N)c(Cl)c2)o1 700823516 XWJSRIBUEKCYFR-UHFFFAOYSA-N 276.723 3.902 30 20 CHED N#CC1(COC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1 768109795 LLNKOQORIQQZTB-RBSFLKMASA-N 275.392 3.830 30 20 CHED COc1ccc(N(C)CCCCC(C)(C)C#N)cc1F 769733934 RGTFVHWHFVPDGK-UHFFFAOYSA-N 278.371 3.991 30 20 CHED C=CC[C@H]1N(C[C@H](O)c2ccccc2)CCCC1(C)C 769953747 PJSBFKOHBVUBNW-DLBZAZTESA-N 273.420 3.787 30 20 CHED CC[C@@H](c1ccc(F)cc1F)N1CCC[C@H](C#N)C1 932147967 JQKATMMBBHTUDG-ABAIWWIYSA-N 264.319 3.651 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H]1CCO[C@H](C)C1 769734704 DOJRBEJAWZEGBG-HZPDHXFCSA-N 298.471 3.946 30 20 CHED C#CCCCCc1nc(-c2ccc(F)cc2C)no1 761970819 ZSVBUNVESFZPSG-UHFFFAOYSA-N 258.296 3.530 30 20 CHED CC(CCc1ccco1)=NNc1cccc(C#N)c1 767363652 SZUZCWLWAYSMIB-UHFFFAOYSA-N 253.305 3.572 30 20 CHED C#CCCCCNC(=O)Nc1cccc2ccccc12 132842916 ZIRZHIIIUYABQC-UHFFFAOYSA-N 266.344 3.765 30 20 CHED N#Cc1cc(NC(=O)[C@H](F)c2ccccc2)ccc1Cl 768972748 CTNNAHOLAIELCO-CQSZACIVSA-N 288.709 3.861 30 20 CHED N#Cc1cc2ccccc2nc1N[C@H]1CCOC2(CCC2)C1 767823178 RNTDEVOEUXOVKU-HNNXBMFYSA-N 293.370 3.620 30 20 CHED Cc1ccc(NN=Cc2c(C)noc2C)cc1Cl 1115813086 NJUUXGCAOKSJAQ-UHFFFAOYSA-N 263.728 3.699 30 20 CHED C#CCCCCC(=O)O[C@H](C)CCc1ccccc1 773648349 NNQHPJSXGDCVGF-OAHLLOKOSA-N 258.361 3.745 30 20 CHED N#Cc1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)c(F)c1 772804918 DGWRSDJYBBVTHZ-UUASQNMZSA-N 299.688 3.967 30 20 CHED CCCCCCCCOCc1nnc(C2CCOCC2)o1 1117285143 NLVWWVYKQRTVLA-UHFFFAOYSA-N 296.411 3.841 30 20 CHED C=CC[C@@H](OC(=O)c1n[nH]c2c1CCCC2)c1ccccc1 778739914 UHLXITNKDRIHFX-MRXNPFEDSA-N 296.370 3.763 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@H]1C=CCCC1 777746310 IHEPBXMHTSXQCN-AWEZNQCLSA-N 269.344 3.656 30 20 CHED CC(C)=CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1117846930 FXCOJEUAPJEDNB-UHFFFAOYSA-N 272.348 3.640 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nc2ccccc2s1 770005068 RTOGWFLJCHHIRE-QJPTWQEYSA-N 271.389 3.639 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccnc(Cl)c1)c1ccccc1 778276720 LTJCUDIEXLXHBE-CQSZACIVSA-N 299.761 3.621 30 20 CHED C=CCCC[C@@H](C)NS(=O)(=O)/C=C\c1ccc(C)cc1 775747595 UHIIYTCUOJUIHC-WIDZWVOGSA-N 293.432 3.630 30 20 CHED FC(F)(F)COc1ccc(C=NOC2CCCC2)cc1 774596598 HDDZJOQSIIDAHG-UHFFFAOYSA-N 287.281 3.921 30 20 CHED C[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1cccs1 776385404 DRVAXPSQGLCZMC-AAEUAGOBSA-N 277.389 3.867 30 20 CHED COc1cc(F)cc(NN=Cc2cc(F)ccc2C)c1 777889460 WHQOGBPTYADUJC-UHFFFAOYSA-N 276.286 3.728 30 20 CHED Clc1ccc([C@@H]2CCCC2=NN=c2cc[nH]cc2)cc1 779808907 BYNCSLNNJOIYFT-HNNXBMFYSA-N 285.778 3.893 30 20 CHED CC(C)c1nccnc1NN=C[C@H]1CCC[C@H](C)C1 773091471 QPIQTNQKCXBIIU-STQMWFEESA-N 260.385 3.824 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1cc(F)cc(F)c1 773789800 YXIKOYABCROOQU-LLVKDONJSA-N 266.287 3.763 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc(Cl)s1 773095488 YQUDOYQECNOSMW-UHFFFAOYSA-N 280.784 3.761 30 20 CHED CSc1ccc(C=NNc2cc(Cl)ccn2)cc1 777913008 GIAAZZSQFWZKIF-UHFFFAOYSA-N 277.780 3.903 30 20 CHED CS[C@H]1CCCCN(c2nc3ccccc3cc2C#N)C1 771925027 UGAOKRVNBUPLEO-HNNXBMFYSA-N 297.427 3.828 30 20 CHED C[C@H]1C[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC[C@H]1C 1125891533 UNTLCZZBWCUKGI-QLFBSQMISA-N 278.440 3.847 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2cccc(Cl)c2C1 880270301 ZEBMOCMXPWAVHM-UHFFFAOYSA-N 277.795 3.827 30 20 CHED C=CCCC[C@@H](N[C@H](C)CCCO)c1ccccc1 883197157 DTWYLEUPIAFABS-NVXWUHKLSA-N 261.409 3.835 30 20 CHED N#CCCCNC(=O)c1sccc1-c1ccc(F)cc1 784137687 FZFFFEMJUKTSGH-UHFFFAOYSA-N 288.347 3.588 30 20 CHED CC[C@H]1CCC[C@@H](C=Nn2c(S)nnc2C(C)(C)C)C1 783800103 NWBDTVGOLYKORZ-NWDGAFQWSA-N 294.468 3.915 30 20 CHED Cc1ccc2c(c1)C(=NN[C@@H]1CCOC(C)(C)C1)CCC2 780250149 GUIWTLJZAKJOAI-OAHLLOKOSA-N 286.419 3.583 30 20 CHED C=C(C)c1cccc(NC(=O)C23CCCN(CCC2)C3)c1 890888621 HPSRBDMSQHYJCD-UHFFFAOYSA-N 284.403 3.534 30 20 CHED CCC(=NNc1ncccc1F)c1cccc(F)c1 794981083 UTUPRGKHFACLSO-UHFFFAOYSA-N 261.275 3.586 30 20 CHED CC(C)OCCON=C[C@H](OC(C)C)c1ccccc1 793055924 PSIVNPDDLJREFK-INIZCTEOSA-N 279.380 3.580 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(SC(F)F)c1 185441393 FURPXKZTBKJKRY-UHFFFAOYSA-N 283.343 3.989 30 20 CHED COc1ccccc1CON=C[C@H]1C[C@H]2CC[C@H]1C2 799116906 CPLQUKICTXOYEU-KCQAQPDRSA-N 259.349 3.634 30 20 CHED CC(=NNc1ncccc1C)c1ccc(C)cc1C 790186730 QSODDAMMXOJAQO-UHFFFAOYSA-N 253.349 3.843 30 20 CHED C=CCCN[C@@H](C)c1cc(Br)ccc1F 168573812 BUPPQAWSFJLCRQ-VIFPVBQESA-N 272.161 3.815 30 20 CHED N#CCCC1CCN(Cc2cc(F)ccc2Cl)CC1 399393907 LLZDNNYBCPJDIU-UHFFFAOYSA-N 280.774 3.995 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(C#N)c2)s1 799319750 OUQUPLKRJZEXPK-LBPRGKRZSA-N 284.384 3.728 30 20 CHED CCC(CC)NN=C(C[C@H]1CCOC1)c1ccc(F)cc1 793011359 CEJVVYIHUMXPJP-CYBMUJFWSA-N 292.398 3.735 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1CCc2nc(C)ncc2C1 793521555 CNTLTUPWQSAIQC-RHSMWYFYSA-N 287.451 3.757 30 20 CHED CC(C)(C)c1ccc(COC(=O)c2ccc(C#N)o2)cc1 796143787 IDFASDGXQSIMOV-UHFFFAOYSA-N 283.327 3.806 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2cccc(Cl)n2)C1 793175219 RXMVGVVKQLLLEG-MNOVXSKESA-N 251.761 3.959 30 20 CHED CCC(=NNc1c(C)cccc1CC)[C@H]1CCOC1 799494321 HUCQOEVKKGFBBN-AWEZNQCLSA-N 260.381 3.772 30 20 CHED CC(C)Cc1ccccc1C(=O)OCC1(C#N)CCC1 791878644 OKLHVUHSHBPUEP-UHFFFAOYSA-N 271.360 3.736 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 61889370 LIZWVRVKNWTVGT-UFBFGSQYSA-N 298.173 3.807 30 20 CHED N#Cc1cccc(CN2CCC[C@H](C3CCCCC3)C2)n1 1206790721 WKSBTEMPDSRQRG-INIZCTEOSA-N 283.419 3.746 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CCCC[C@@H]2C)c1 714399745 JDQAQBDYOYIBFP-WFASDCNBSA-N 256.349 3.632 30 20 CHED COc1ccccc1CON=C(C)c1cccc(C#N)c1 799117560 KJZBRFQKZZRJOL-UHFFFAOYSA-N 280.327 3.508 30 20 CHED COc1ccccc1CON=C(C)c1ccc(C)cc1 799118588 MGFKWQFQSAKTJD-UHFFFAOYSA-N 269.344 3.944 30 20 CHED C#CCCCNCCCc1c(Cl)cccc1Cl 795939999 XFMNDOIQZKWRCX-UHFFFAOYSA-N 270.203 3.929 30 20 CHED CCCCCCCN[C@H](C)c1c(F)cncc1F 796636894 CHVQGMFZLIZICH-LLVKDONJSA-N 256.340 3.981 30 20 CHED N#CCc1cccc(N2CCC[C@H](Cc3ccccc3)C2)n1 1148151551 WTHWBQCXRPSZIW-QGZVFWFLSA-N 291.398 3.607 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc2cc(OC)ccc12 797836906 HIGWMUMKDMFXCM-ACJLOTCBSA-N 298.386 3.637 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(F)c2C#N)C1 1142302053 QTJUHGOXANPWON-RWMBFGLXSA-N 288.366 3.642 30 20 CHED C#CCCN(Cc1c(F)cccc1F)C1CCCC1 760832831 YAWMHASEUGWFGH-UHFFFAOYSA-N 263.331 3.733 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCN(C)C1CCCCC1 695843762 RIEFOZZBUADFRP-HNNXBMFYSA-N 279.472 3.559 30 20 CHED N#Cc1ccc(CCOc2cc(Cl)cc(C#N)c2)cc1 1166279885 VCPJJXPAQKRUJQ-UHFFFAOYSA-N 282.730 3.705 30 20 CHED C=C(Br)CN1CCCC[C@@H]1CC(C)C 1167896821 BMGPKDSZIWQDLC-GFCCVEGCSA-N 260.219 3.796 30 20 CHED CC(=NNc1ccccc1)c1c(C)nc2sccn12 1317738056 QSEFAXVATOPKAM-UHFFFAOYSA-N 270.361 3.540 30 20 CHED CC(C)(CCNC(=O)Nc1ccc(F)c(C#N)c1)C1CC1 1310249990 LJXCPSGLIBELAT-UHFFFAOYSA-N 289.354 3.645 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCCC[C@@H]2C)c1C#N 1161970414 JZMUEUNXYVVROA-TVQRCGJNSA-N 263.772 3.906 30 20 CHED C#Cc1ccc(CNC2(c3ccccc3OC)CCC2)cc1 1327368542 MZBQHOJFZLXCFA-UHFFFAOYSA-N 291.394 3.846 30 20 CHED C[C@H]1Cc2ccccc2N1Cc1ccc(C#N)s1 1326716334 NCFSVXRXYLRKED-NSHDSACASA-N 254.358 3.571 30 20 CHED C=C[C@@](C)(CC)c1nnc(COc2cccc(C)c2)o1 1326960013 LSUDBTWQOJDNHC-INIZCTEOSA-N 272.348 3.811 30 20 CHED C=CCN(CCC#N)C(=O)Nc1c(C)cc(Cl)cc1C 1324895783 YIVQSIGDRHVJPF-UHFFFAOYSA-N 291.782 3.890 30 20 CHED CC[C@@H](C)c1nnc(-c2cnc(C(F)(F)F)c(C#N)c2)o1 1329149742 VFXYVICVKIDLPM-SSDOTTSWSA-N 296.252 3.536 30 20 CHED C=C(CC)CN1CCC(C(=O)c2cccs2)CC1 1254117232 OKWREKPIWWVIEJ-UHFFFAOYSA-N 263.406 3.609 30 20 CHED CCc1nc(C#N)cc(NCc2ccc(C3CCC3)cc2)n1 1186103420 YQQWRZNZCLLIGU-UHFFFAOYSA-N 292.386 3.790 30 20 CHED CC(Cc1ccsc1)=NNc1ccc(C(C)(C)C)nn1 1339229812 CYUHMFZFKHQZMR-UHFFFAOYSA-N 288.420 3.866 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCCCCCCC1 1339169663 HSYSHSLCDQAMSV-UHFFFAOYSA-N 284.354 3.562 30 20 CHED N#CCOc1ccc(NCc2ccc3c(c2)CCC3)cc1 1339536507 XFXYCVZJNKEAQQ-UHFFFAOYSA-N 278.355 3.690 30 20 CHED CN(Cc1c(F)cccc1Cl)c1cccc(CC#N)n1 1338234110 ZHFCBMNWMGUFET-UHFFFAOYSA-N 289.741 3.577 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C2CCCC2)oc2c(C)cccc12 1262108164 IFPKIIUBIGIKJE-HNNXBMFYSA-N 296.370 3.862 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(NC(=O)OCC)cc1 1342795161 AJPAFMNKAFULKS-LBPRGKRZSA-N 290.363 3.796 30 20 CHED CCc1oc2ccccc2c1CC(=O)O[C@@H]1CC[C@@H](C#N)C1 1342645583 MRXKPEMBZGWSBL-CHWSQXEVSA-N 297.354 3.773 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)OC1CCCCC1)c1ccccc1 1341185971 FQRLGPWWZJSZIZ-QAPCUYQASA-N 299.414 3.605 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H]1CC[C@H](C)C[C@@H]1C 1354002156 HHDUTQHTPLWYGZ-SLEUVZQESA-N 287.359 3.548 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(F)c(C#N)c2)cc1 1465520928 TTWKJQWDQSYVLD-UHFFFAOYSA-N 283.306 3.674 30 20 CHED C[C@H](C#N)CN(C)Cc1cccc(COc2ccccc2)c1 1461970063 ZFACHIHZRPRBQW-MRXNPFEDSA-N 294.398 3.857 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(CCC#N)CC(C)(C)C 1530315598 CKTNXHKKSNPSFY-LSDHHAIUSA-N 278.440 3.991 30 20 CHED CC1(C)C(CNC(=O)Nc2ccc(C#N)c(F)c2)C1(C)C 1466773019 PACMEUUWYGCXBC-UHFFFAOYSA-N 289.354 3.501 30 20 CHED N#CCCc1ccc(NCc2ccc(C(=O)O)cc2F)cc1 1601068509 DFFWAAOTGDSJPG-UHFFFAOYSA-N 298.317 3.592 30 20 CHED CCc1nnc(N[C@@H]2C[C@@H]2C2CCCCC2)c(C#N)c1CC 1472711999 VAIKWMDAFYGSOE-RHSMWYFYSA-N 298.434 3.854 30 20 CHED Cc1cc(NC(=O)C[C@H](C)c2cccc(F)c2)ncc1C#N 1530656117 IXLMNSOUTPGYAS-LBPRGKRZSA-N 297.333 3.533 30 20 CHED Cc1cc(SCc2ccc3nonc3c2)ccc1C#N 1473049312 VGCSTWAJMKCGFZ-UHFFFAOYSA-N 281.340 3.695 30 20 CHED Cc1c(NCc2ccc(C#N)cc2F)ccc(F)c1F 1474577261 LDKPQPONVWTNBT-UHFFFAOYSA-N 276.261 3.896 30 20 CHED N#Cc1ccn(CCCc2cccc3ccccc23)c(=O)c1 1614713575 VGWWLJBKVKAGHZ-UHFFFAOYSA-N 288.350 3.506 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)Cc2ccsc2)c1 1476739787 QYKWMJCEYIEANL-UHFFFAOYSA-N 285.372 3.592 30 20 CHED CN(c1ncc(C#N)cc1F)[C@H]1CCC[C@@H]1C(C)(C)C 1472809222 MNIWPPBZZYIROA-JSGCOSHPSA-N 275.371 3.743 30 20 CHED C[C@@H]1CC(Nc2nc(C#N)c(Cl)s2)C[C@@H](C)C1 1612011124 XTZPPSDSDVGFKU-YUMQZZPRSA-N 269.801 3.905 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(F)cc1F 229676347 KMQVRERJIIRDPT-NSHDSACASA-N 266.335 3.945 30 20 CHED N#Cc1cccc(CSc2ccc(-c3ccco3)nn2)c1 1644051518 FGQLXKDYEXDGAO-UHFFFAOYSA-N 293.351 3.901 30 20 CHED CN(CCC1(C#N)CCCCC1)C(C)(C)CN1CCCC1 1643502373 XHVPWYVWKDTNOC-UHFFFAOYSA-N 291.483 3.657 30 20 CHED N#Cc1cncc(N2Cc3ccccc3-c3ccccc3C2)n1 1642183608 RQMURALCQFJNRM-UHFFFAOYSA-N 298.349 3.535 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1651451699 TWGIENQXPYYYHN-UWKFXHKCSA-N 293.823 3.905 30 20 CHED Cc1ccc(Nc2ncc(C#N)cc2F)cc1N1CCCC1 1651394276 VHQKUYHDEBDCNV-UHFFFAOYSA-N 296.349 3.745 30 20 CHED N#Cc1ncccc1SCc1cccc(F)c1F 1656553990 YSJPHZRSIVUHKW-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CCc1cccc(N(C)C(=O)Nc2ccc(C#N)cc2)c1 1666343788 ZXXYSFJIJQNSLI-UHFFFAOYSA-N 279.343 3.789 30 20 CHED CCOc1cccc(NC(=O)Nc2cc(F)cc(C#N)c2)c1 1664072168 OBBHGAZUKGGSDX-UHFFFAOYSA-N 299.305 3.740 30 20 CHED COc1cc(/C=C/C(=O)C2CCCCC2)ccc1C(=O)O 1777287528 HCJAXAOSIPDDDD-CSKARUKUSA-N 288.343 3.556 30 20 CHED C[C@@H]1CC(=NNc2ccc(F)c(C(=O)O)c2)C[C@@H](C)C1 1776062234 KMZXGTYORHCAJG-UWVGGRQHSA-N 278.327 3.748 30 20 CHED CCN(Cc1cccs1)Cc1cc(C#N)ccc1OC 130422933 LTYXTBYEHNUMMI-UHFFFAOYSA-N 286.400 3.650 30 20 CHED N#Cc1ccc(OC(=O)c2ccccc2C(F)(F)F)cc1 5576879 FHDQNIMHIIFGIO-UHFFFAOYSA-N 291.228 3.796 30 20 CHED CC[C@H](CC(=O)N(C)[C@H](C)CC#N)c1ccc(C)cc1 158883557 FSCJHXPCJALOCQ-HUUCEWRRSA-N 272.392 3.639 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1cccc(F)c1F 152600040 KYMLMLWAQFWFAX-LLVKDONJSA-N 279.330 3.910 30 20 CHED CC#CCCSc1nnc(SCCCC)s1 155134940 KDERKHYQQJYJAK-UHFFFAOYSA-N 272.464 3.936 30 20 CHED COC(=O)c1occc1/C=C1\C(=O)c2cccc(C)c2[C@@H]1C 157605507 QTAOWPXQNKBKGS-RLIURORJSA-N 296.322 3.758 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1c(F)cccc1F 157645842 LTOFEZBRFRZRFN-MNOVXSKESA-N 252.308 3.507 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](OCC(C)C)C1 153997348 XPECHAMSSSXXSW-OAHLLOKOSA-N 269.429 3.620 30 20 CHED CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 155440225 QQLUNIOODJBSIU-NWDGAFQWSA-N 269.348 3.565 30 20 CHED C[C@H](c1cccs1)N(C)Cc1cc(C#N)cs1 157859468 ADDHNEGZZSPQDG-SNVBAGLBSA-N 262.403 3.874 30 20 CHED COCCCCC(=O)Nc1cc(C(C)(C)C)sc1C#N 154293696 YMCMMUKOXPGGLD-UHFFFAOYSA-N 294.420 3.672 30 20 CHED CCC[C@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 233364826 MRQKGIMWXJVUMQ-INIZCTEOSA-N 272.392 3.721 30 20 CHED CCc1nnc(Sc2cccc(F)c2)c(C#N)c1CC 125411150 CUPSMFFTHFFKHF-UHFFFAOYSA-N 287.363 3.763 30 20 CHED C#Cc1ccc(CNCC(F)(F)c2ccccc2)cc1 809651833 BDKGOQKZQRVFML-UHFFFAOYSA-N 271.310 3.550 30 20 CHED CC(C)N(Cc1ccccc1)C(=O)c1cccc(C#N)c1 19437999 VQGRFYWXYSQAEL-UHFFFAOYSA-N 278.355 3.609 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@@H]2c2cccs2)n1 247915081 MJCJUALSAYTMEZ-CQSZACIVSA-N 283.400 3.973 30 20 CHED CCCOc1ccccc1OCc1ccccc1C#N 19804993 YRSRUQPPKQKESP-UHFFFAOYSA-N 267.328 3.926 30 20 CHED C#Cc1ccc(CN[C@H](C)c2cc(C)oc2C)cc1 1320933982 ZRTNRLGPUMBGQE-CYBMUJFWSA-N 253.345 3.729 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)cc1 250264163 WDBDMVNXCTVCNB-SJORKVTESA-N 254.377 3.570 30 20 CHED Cc1cc(C#N)ccc1-c1nc(C2CCCCC2)no1 160899483 BGCDMQFRNRVJCI-UHFFFAOYSA-N 267.332 3.964 30 20 CHED N#CC1(NC(=O)c2cc3c(s2)CCCC3)CCCCC1 40215371 WVQOSTRCVNNWAA-UHFFFAOYSA-N 288.416 3.583 30 20 CHED CCc1sc(C(=O)N[C@H](C#N)C2CCCCC2)cc1C 176598993 BXTOQSPTLSKWFU-CYBMUJFWSA-N 290.432 3.821 30 20 CHED C=CCC[C@@H](C)NCc1ccsc1Br 308657680 OTQLGPMBIRXKRS-SECBINFHSA-N 274.227 3.955 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)s1 309839332 CJDDFKAHRFDPLT-KXUCPTDWSA-N 299.237 3.853 30 20 CHED C=C(C)CN(C)Cc1ccc(Br)c(F)c1 481284266 KYYFNZLWEHKXLT-UHFFFAOYSA-N 272.161 3.596 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(F)ccc1O 437003274 UQWBPUKSBXWYJA-UHFFFAOYSA-N 299.345 3.750 30 20 CHED CC[C@@H](CNc1cccc(CC#N)c1)CC(F)F 594704819 OIIPWTZFLLMFIM-LLVKDONJSA-N 252.308 3.846 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1CCCC1(F)F 381491085 HKIFFAYZBJHHKU-JTQLQIEISA-N 254.255 3.545 30 20 CHED C=C(C)CCNC(=O)c1cccc(C(F)(F)F)c1F 387379695 JDAQHHBVZQFDIL-UHFFFAOYSA-N 275.245 3.541 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Br)c(F)c1 767086217 OTZAKJDXIANKFI-UHFFFAOYSA-N 298.155 3.576 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=S)N[C@H](C)CC 794994824 IESHOJZSNJZHDV-CQSZACIVSA-N 276.449 3.738 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)[C@H]1c1ccccc1 245421820 IEJKMOPIRGPCNR-KBXCAEBGSA-N 262.356 3.751 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Br)c(C)c1 136167923 JSZIGUNFCXHFOB-ZDUSSCGKSA-N 295.180 3.636 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 55638724 FXEYUENFGRUGPL-ZDUSSCGKSA-N 294.354 3.988 30 20 CHED CC[C@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 50212877 GZCMZEOUQSODRH-INIZCTEOSA-N 278.355 3.999 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(OC)ccc1OCC 105042382 ARWKIDLGQATAKT-UHFFFAOYSA-N 292.379 3.524 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@@](C)(CC)C2)c1 174785554 WSSCZUXWVNZVMD-QGZVFWFLSA-N 270.376 3.712 30 20 CHED CCN(C(=O)CSc1ccccc1)c1ccc(C#N)cc1 174076464 BKUFCLQPSVQSSO-UHFFFAOYSA-N 296.395 3.703 30 20 CHED C=CC1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 110364915 BJVIADJQFITHKE-UHFFFAOYSA-N 285.721 3.656 30 20 CHED CCN(Cc1ccccc1O)[C@@H](C)c1ccc(C#N)cc1 179561306 QGHPYGNZPPALFN-AWEZNQCLSA-N 280.371 3.847 30 20 CHED C=CCCCSc1nc(=O)c(C)c(-c2ccccc2)[nH]1 118957652 DLOYUOXKXNYPGX-UHFFFAOYSA-N 286.400 3.804 30 20 CHED C[C@H](N[C@@H](C)c1nc(C(C)(C)C)no1)c1cccc(C#N)c1 174357897 SAZRZRHTAUBOOE-RYUDHWBXSA-N 298.390 3.651 30 20 CHED CC(C)N(C)c1cccc(NC(=O)C2(C#N)CCCC2)c1 68163881 PCJDXTWGHDQFLA-UHFFFAOYSA-N 285.391 3.554 30 20 CHED Cc1cc(C)c2c(c1)/C(=N\Nc1cccc(F)c1)C(O)=N2 63424130 LGCGKQGVYNLVDD-UHFFFAOYSA-N 283.306 3.860 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C 409664113 LCYIEVHNKFIZIS-GXTWGEPZSA-N 275.417 3.883 30 20 CHED CO[C@]1(C)C[C@H](/N=C/c2cc3ccccc3nc2O)C1(C)C 174033511 VXUFURPPGKUVHR-HNUSORCJSA-N 298.386 3.563 30 20 CHED C[C@H](CN(C)c1cc(Cl)ccc1C#N)c1nccs1 302140865 JJILUIQRXMEUFK-SNVBAGLBSA-N 291.807 3.908 30 20 CHED C#Cc1cccc(N(C)C(=O)c2sc(CCC)nc2C)c1 171195683 SZGFHXXSBUVDMA-UHFFFAOYSA-N 298.411 3.662 30 20 CHED CCOc1cccc([C@@H](C)NCc2cccc(C#N)c2)c1 68840260 YVVMPYADCWSQIH-CQSZACIVSA-N 280.371 3.808 30 20 CHED Cc1cccc2c(CCNCc3cccc(C#N)c3)c[nH]c12 174448751 BVPVNCWTQXLILC-UHFFFAOYSA-N 289.382 3.680 30 20 CHED N#Cc1ccc(NCc2ccc(OC3CCCC3)nc2)cc1 301092599 LIKFCCHQCKEXBV-UHFFFAOYSA-N 293.370 3.887 30 20 CHED CC(C)Cc1ncc(C(=O)O[C@H](C)CC(C)(C)C#N)s1 1345424405 ZEASPQCWACDSLN-LLVKDONJSA-N 294.420 3.827 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H](C)C1 113398208 XZYVHQCHSCVIHM-CKEIUWERSA-N 299.418 3.524 30 20 CHED N#Cc1ccc(CN[C@H]2CCOc3c(Cl)cccc32)cc1 67248696 BQQCHALZBJIMDV-INIZCTEOSA-N 298.773 3.825 30 20 CHED C=CC[C@@H](C)NC(=O)CCCOc1ccc(C)c(C)c1 174247221 NRUJOKXZXLGRDR-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1cncs1 178324782 JTQFGUJZCIIAKC-KMFAHORVSA-N 279.411 3.965 30 20 CHED Cc1ccc(C/N=C(/N)Nc2cc(C)cc(C)c2)cc1 303699143 GUAKHJPMKZFHKU-UHFFFAOYSA-N 267.376 3.539 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(C#N)ccc1O 176820587 OKQOWGFSGVXNKH-ZDUSSCGKSA-N 294.354 3.705 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2cccc(OC)c2)CC1 122419186 YNINQIOEGXRRLL-UHFFFAOYSA-N 285.387 3.569 30 20 CHED N#CCCCN1CCCCC[C@H]1C[C@H](O)c1ccccc1 123887795 CUBQQURHJNKVMW-ROUUACIJSA-N 286.419 3.658 30 20 CHED N#Cc1cccnc1SCc1cccc(OC(F)F)c1 301115874 OLRGHKITMFOQOY-UHFFFAOYSA-N 292.310 3.847 30 20 CHED C=C(C)[C@@H](NC(=O)[C@@H](C)CSC)c1ccc(F)c(F)c1 186059938 QPZUZZSEQZXSQC-IINYFYTJSA-N 299.386 3.697 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1cc2ccccc2o1 184920560 GJFDGKGFJIBWPF-CYBMUJFWSA-N 269.344 3.804 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)cnn1C 210475966 LYPPCMDKGVJTJU-YVMONPNESA-N 294.276 3.643 30 20 CHED N#CCN(Cc1ccc(C(F)F)cc1)C1CCCC1 183949519 SBJNYRMJFMDHFL-UHFFFAOYSA-N 264.319 3.892 30 20 CHED COCc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 38010521 IHSVKDHNSAXXKM-AWEZNQCLSA-N 280.371 3.555 30 20 CHED C[C@H]1/C(=C/c2cccc(O)c2)C(=O)c2c(O)ccc(F)c21 213220322 WIHGUQPYBAUFPV-RILYUOAZSA-N 284.286 3.620 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCSC2(CCC2)CC1 411874509 HXUKBSQJBCDOBL-AWEZNQCLSA-N 286.444 3.981 30 20 CHED C=C[C@@H](C)N[C@@H]1CCc2c(F)ccc(Br)c21 126900361 UCXUHMDRBSCPGJ-PRHODGIISA-N 284.172 3.740 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)[C@H](C)C2 180145791 FXCHZGXAWLHKIK-AUUYWEPGSA-N 276.383 3.890 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)c(F)c(F)c1 188445520 UJLIQYHXTSEAOG-ZDUSSCGKSA-N 257.255 3.645 30 20 CHED C=C(C)CCN[C@H](Cc1ccccc1OC)C(C)C 508967024 KLKPWGJVZUANFV-MRXNPFEDSA-N 261.409 3.818 30 20 CHED C[C@H](NC1(Cc2ccccc2)CC1)c1cccc(C#N)c1 186575679 PDFOFJMRFKGECF-HNNXBMFYSA-N 276.383 3.984 30 20 CHED Cn1ncc(Cl)c1/C=C\C(=O)c1ccc(Cl)cc1 210306828 AUUMDFIQMQORJV-SREVYHEPSA-N 281.142 3.623 30 20 CHED C[C@H]1c2cccn2CCN1Cc1ccc(C#N)cc1Cl 439446296 WMVXURPTMOYWHV-LBPRGKRZSA-N 285.778 3.590 30 20 CHED Cc1cc(CN(Cc2ccco2)C(C)C)ccc1C#N 362933733 HGTPCZBFNPRWKQ-UHFFFAOYSA-N 268.360 3.870 30 20 CHED C=C[C@@H](CC(=O)N(C)C(C1CC1)C1CC1)c1ccccc1 122015909 AAMRADBCFXFXLD-AWEZNQCLSA-N 283.415 3.993 30 20 CHED N#Cc1cc(Br)ccc1CN1CCCCCC1 260839105 RSMTYJMZIXHFGF-UHFFFAOYSA-N 293.208 3.697 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(F)cc1OC(C)(C)C 500079452 AJUMHZLIFIGMFB-SNVBAGLBSA-N 280.343 3.699 30 20 CHED C=CCn1c(N2CCC[C@H](C(C)C)C2)nnc1C(C)(C)C 508839617 GNAXBRVWEYJYQE-AWEZNQCLSA-N 290.455 3.634 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc(-c2ccoc2)c1 127974187 XBCDDZXSUOTWTC-LBPRGKRZSA-N 255.317 3.641 30 20 CHED C=CCCCCCN1C[C@@H](O)C[C@@H]1c1ccccc1 411926163 OZPSLBKUJMUCMO-DLBZAZTESA-N 259.393 3.541 30 20 CHED C=CC1CCN(C(=O)c2cccc3ccc(C)nc23)CC1 126864912 KKRHGYLBMOJKFK-UHFFFAOYSA-N 280.371 3.581 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)Nc1c(C)noc1C 416780013 BXSWPFVHQVMAQL-OAHLLOKOSA-N 299.374 3.600 30 20 CHED C=CCC[C@H](NC[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccco1 414258723 MCYLOHQMMAOMLY-KBXIAJHMSA-N 263.381 3.690 30 20 CHED CC#CCCCC(=O)Nc1ccc2[nH]c(C)cc2c1 184347199 JFIOIGOIMIGCBW-UHFFFAOYSA-N 254.333 3.608 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc2oc(C)c(C)c2c1 186486749 HZDLPHXXCIVAFO-GFCCVEGCSA-N 285.347 3.863 30 20 CHED Cc1csc([C@H](C#N)C(=O)CCCc2ccccc2)n1 48520416 IBPFQVRJCCGFMQ-CQSZACIVSA-N 284.384 3.651 30 20 CHED COc1ccc(F)cc1[C@H](C)NCc1ccc(C#N)cc1C 186320074 ZTUJLWNMURTWKO-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED Cc1nc(NCc2ccccc2C(F)(F)F)ccc1C#N 314460712 MNLUWOVKSAETCG-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccoc1C 414370433 LQHXYLCCBSKOOV-UHFFFAOYSA-N 268.360 3.872 30 20 CHED N#CC1(CC[S@@](=O)Cc2ccccc2F)CCCCC1 417171046 FXQRNYXVMPCBLQ-HXUWFJFHSA-N 293.407 3.939 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)CCCOC 414308277 SPFIREYCYYVFQG-DOTOQJQBSA-N 261.409 3.579 30 20 CHED COc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)c(C)c1 414159013 ZQZXBBINTWXPAE-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(C#N)c2)cccc1[N+](=O)[O-] 130108517 QOSOZZMIPUYQKG-CMDGGOBGSA-N 292.294 3.671 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(C#N)c2)C1 505063624 RNDLSDPWAOFBKT-GDBMZVCRSA-N 270.376 3.503 30 20 CHED CC#CCCCC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 416298833 ZIQXKAITPBWTOT-HUUCEWRRSA-N 263.425 3.853 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](C)CC(C)C)c1 506625234 NTDWPTUNOSZBKI-ZDUSSCGKSA-N 276.380 3.808 30 20 CHED C[C@H](NCc1cc(F)c(F)cc1F)c1ccc(C#N)cc1 135848300 WBPRZLQBNXSPCN-JTQLQIEISA-N 290.288 3.826 30 20 CHED N#CCCN(CC(F)(F)F)C(=O)C1CCCCCCC1 177622044 WMMRWNJVDXSCCA-UHFFFAOYSA-N 290.329 3.651 30 20 CHED O/C(=N/[C@@H]1CCCC(F)(F)C1)c1cnc2cnccc2c1 328828983 QUMFJIYVXGMSHQ-GFCCVEGCSA-N 291.301 3.512 30 20 CHED CCCCCCCCCCC(=O)N1CCC(C)(O)CC1 177776101 SOVCTEOZDCFGPE-UHFFFAOYSA-N 283.456 3.891 30 20 CHED CC[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 47873458 NMCOOUYAUAECOT-STQMWFEESA-N 273.336 3.847 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cc(Cl)ccc1C 424789148 HXWCMEHAJPLGTF-UHFFFAOYSA-N 265.784 3.867 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/CC1CCC(F)(F)CC1 328817244 NZJZXPJHQFZKRR-UHFFFAOYSA-N 298.333 3.991 30 20 CHED C#Cc1cccc(NC(=O)N(C)Cc2ccccc2C)c1 43986118 WVDODPOAHZBLIN-UHFFFAOYSA-N 278.355 3.640 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@@]1(C#N)CC12CCCC2 516147001 ONZCDDXJOIYTIO-RKVPGOIHSA-N 288.435 3.793 30 20 CHED C[C@H]1CCC[C@H](C(O)=Nc2cccc(-c3cnn[nH]3)c2)C1 329609771 RBQCCPVUAMUGLG-AAEUAGOBSA-N 284.363 3.886 30 20 CHED CCC[C@@H](C)N(C)c1ccc(C#N)c(Br)c1 228178757 KLXHQBNQKCSDRE-SNVBAGLBSA-N 281.197 3.946 30 20 CHED C[C@H](C(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1 335675774 NQQONBZEJCQSQO-QMMMGPOBSA-N 292.310 3.640 30 20 CHED Cn1c(C2CC2)nc2cc(N[C@H]3CC[C@H](C#N)C3)ccc21 333076537 LFUBFPMKGDXXLB-AAEUAGOBSA-N 280.375 3.555 30 20 CHED N#Cc1cccc(CN[C@H]2CCc3c(F)ccc(F)c32)c1 335742541 ICUDRPVVWKKSPP-INIZCTEOSA-N 284.309 3.614 30 20 CHED CC(C)(C#N)CCCN(CC1CCC1)CC(F)(F)F 178456955 NZXAUFYKOXESME-UHFFFAOYSA-N 276.346 3.981 30 20 CHED CCCC1CCC(N(C)C(=O)c2cccc(C#N)c2)CC1 192265290 CHONJQIJIVGHLK-UHFFFAOYSA-N 284.403 3.989 30 20 CHED C=CCC1(C(=O)NC[C@@H]2C[C@H]2C2CCC2)CCCC1 424903611 FPPXBPYGFHEBRU-GJZGRUSLSA-N 261.409 3.675 30 20 CHED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 335674018 OOFHOTBIZONOKK-ACJLOTCBSA-N 262.356 3.896 30 20 CHED C=CCOc1cccc(NC(=O)NCCCSCC)c1 337370688 WWCUKKKDNZIHEF-UHFFFAOYSA-N 294.420 3.516 30 20 CHED COCCN(Cc1ccc(C#N)cc1Cl)C1CCCC1 615223954 ITHSMIDMHLIFQK-UHFFFAOYSA-N 292.810 3.603 30 20 CHED Cc1coc2ccc(N=C(O)C[C@H]3CCOC3)cc12 330061839 OPFIBWPLWCFIMH-LLVKDONJSA-N 259.305 3.756 30 20 CHED CSc1cccc(F)c1C(=O)Nc1ccc(C#N)cc1 334963544 HYPPQTHVGNJEAR-UHFFFAOYSA-N 286.331 3.672 30 20 CHED CC1(C)CCN(Cc2cccc(OCCCC#N)c2)C1 93339840 SBSQKTQCQWVHPO-UHFFFAOYSA-N 272.392 3.601 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc(NC(C)=O)c2)c1 97993066 ZUNIDAVXPSTLHZ-KTKRTIGZSA-N 295.338 3.550 30 20 CHED C[C@@H]1CCC[C@@H](N(C)c2nccc(C#N)c2Cl)C1 235376348 APLSFMFTYCLQMD-ZYHUDNBSSA-N 263.772 3.622 30 20 CHED N#CC1(C(=O)N2C[C@H]3CC[C@H]2c2ccccc23)CCCCC1 336126257 JBBWFWJJVVWUJB-PBHICJAKSA-N 294.398 3.921 30 20 CHED COC1(C/N=C(/O)C[C@@H]2CCC(=O)[C@H]2C)CCC(C)CC1 330059740 LMWBJQOXKATVJJ-CWVKQELPSA-N 295.423 3.544 30 20 CHED N#Cc1c(NC2CCC(C(F)F)CC2)ncc2c1CCC2 425266804 JEAYMUUMWDWXMS-UHFFFAOYSA-N 291.345 3.678 30 20 CHED CC#CCN(C)Cc1nc(-c2c(F)cccc2F)cs1 339767119 YETREEKUNNUQIB-UHFFFAOYSA-N 292.354 3.543 30 20 CHED CC(C)OCc1cccc(N=C(O)N[C@@H]2CC[C@@H](C)C2)c1 331303662 WAGNYNNTSWZCRN-CZUORRHYSA-N 290.407 3.935 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(C)c(Br)c(C)c1 232039447 PXBRNPSRFIHTJS-SNVBAGLBSA-N 295.180 3.554 30 20 CHED CCN(C(=O)C1=C(C)CCC1)[C@H](C)c1ccc(C#N)cc1 437266402 KSZSNNXCFBRYFB-CQSZACIVSA-N 282.387 3.968 30 20 CHED N#CCCCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 90090471 RYKABVIYUPBEBK-UHFFFAOYSA-N 296.330 3.763 30 20 CHED CCN(Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)C(C)C 92590399 KYTBHLDSRBIYHQ-INIZCTEOSA-N 287.451 3.903 30 20 CHED CCc1cccc(CC)c1NC(=O)NCC1(CC#N)CC1 431200105 WEERPMTXAMQBRD-UHFFFAOYSA-N 285.391 3.627 30 20 CHED N#Cc1nn(CCCCC(F)(F)F)c2ccccc12 432494299 DSQLERYNTCVVJD-UHFFFAOYSA-N 267.254 3.641 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 337110355 MMSDYFRAVAZDOF-GFCCVEGCSA-N 271.351 3.675 30 20 CHED CC[C@@H]1CCC[C@H](/N=C(/O)N[C@H]2CCOC3(CCC3)C2)C1 330222199 RQVCBMQMXHIAPN-ILXRZTDVSA-N 294.439 3.561 30 20 CHED Cc1nnc([C@@H](C)Sc2ccc(C#N)c(C)c2)s1 335472280 VWIHJCUYANMBQM-SECBINFHSA-N 275.402 3.880 30 20 CHED CC(C)OCc1cccc(N=C(O)N[C@@H]2CC[C@H](C)C2)c1 331303664 WAGNYNNTSWZCRN-XJKSGUPXSA-N 290.407 3.935 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc2cc(F)ccc2[nH]1 433328476 DEZYVEHKUSAOAS-UHFFFAOYSA-N 293.301 3.739 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 245738976 UMZJMGRDECEKHW-MPTYRVRUSA-N 276.424 3.647 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 435070975 VBNDFEIYINLUKS-UONOGXRCSA-N 284.403 3.531 30 20 CHED N#CCc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1 247747668 QUTVNUPMECPYFZ-UHFFFAOYSA-N 293.301 3.625 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(F)cc1Cl 345990188 IXGJBMTUXCCHPC-UHFFFAOYSA-N 282.746 3.539 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1 245907393 CQOTXLZJEULIIU-DJIMGWMZSA-N 299.418 3.909 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CC1(c2ccccc2)CC1 529201234 XGVHHPHXNQGGGV-MRXNPFEDSA-N 269.388 3.675 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccccc1OCC 436296912 WALMOPZGFBDQIR-MPGHIAIKSA-N 289.419 3.717 30 20 CHED CCn1c(NC(=O)C(C#N)(CC)CC)nc2cc(C)ccc21 528968470 NLEASZGCSIVNAQ-UHFFFAOYSA-N 298.390 3.633 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2ccccc2[C@H]1C 432555956 INRZWEUXNJVKKH-CQSZACIVSA-N 286.419 3.918 30 20 CHED CSc1ccc(CCNc2c(C#N)cccc2C#N)cc1 435603077 GSKDAYCYGVWQHF-UHFFFAOYSA-N 293.395 3.806 30 20 CHED CCN(Cc1cccc(C#N)n1)[C@@H](C)c1cccc(OC)c1 602444087 LMQRTQONXZPCRE-AWEZNQCLSA-N 295.386 3.545 30 20 CHED CCCOc1ccc(/C=C/c2ccc(C#N)cn2)cc1 603894496 ZLOVFMZGTXBHPA-XVNBXDOJSA-N 264.328 3.912 30 20 CHED CCC(C#N)(CC)C(=O)N1CC(CC)(c2ccccc2)C1 529484668 ZMHKLPMBSORHTG-UHFFFAOYSA-N 284.403 3.507 30 20 CHED N#Cc1ccc(CNc2ccc(-c3cncnc3)cc2)cc1 344606953 VFOKNHGVUBHFBF-UHFFFAOYSA-N 286.338 3.627 30 20 CHED N#Cc1cccc(NCCc2c[nH]c3cc(Cl)ccc23)n1 609892125 LRIBIUUWAJUPRY-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(CC2(C#N)CC2)C1 343317081 BULMSKCHAKHHGU-IUODEOHRSA-N 258.340 3.512 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(CC#N)cc1 342461815 XAGNUFAMMMEAES-UHFFFAOYSA-N 291.354 3.635 30 20 CHED N#CC[C@@H](Cc1nc(-c2ccco2)no1)c1ccccc1 340661971 YWKGHTKTGCDPIN-ZDUSSCGKSA-N 279.299 3.570 30 20 CHED C=C(CNCc1cccc(OCCOC)c1)c1ccccc1 340437178 OQTIKQHFYLFRPP-UHFFFAOYSA-N 297.398 3.515 30 20 CHED C=CC[C@@H]1N(C(=O)NC[C@@H]2CCCS2)CCCC1(C)C 445106577 GAHXWVFXHXBCTR-KBPBESRZSA-N 296.480 3.658 30 20 CHED C=CCn1c(C)nnc1SCCc1ccc(CC)cc1 522327123 QLTXUWRCPRBQRU-UHFFFAOYSA-N 287.432 3.670 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cccc2c1CCOC2 600859084 KLXBEYDDLZPHPG-UHFFFAOYSA-N 293.366 3.827 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cccc(C#N)n2)o1 602488061 ZFYYSLOJHOLEMO-DYVFJYSZSA-N 295.386 3.828 30 20 CHED C=CCCCSCC(=O)N1c2ccccc2C[C@@H]1C 609805233 XQPSQHPTXNDVOE-ZDUSSCGKSA-N 275.417 3.664 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1c(F)cccc1F 538626101 LVPHJUKNTZCKQY-QWRGUYRKSA-N 282.334 3.680 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)C1CCC(C)CC1 351109176 AEYDTVLPPSCYPX-UHFFFAOYSA-N 288.439 3.747 30 20 CHED C=CCOCCCSc1nc2cc(F)c(F)cc2[nH]1 356062462 QQVSKFDTJMTEMY-UHFFFAOYSA-N 284.331 3.526 30 20 CHED C=C(C)[C@H](CC(=O)N1CC=C(C(C)(C)C)CC1)OCC 535463432 JHQVYEXPKBVHBC-HNNXBMFYSA-N 279.424 3.563 30 20 CHED CC(C)N(Cc1ccccn1)CC(C)(C)CCC#N 535082881 GZKWRLBLNBBMQO-UHFFFAOYSA-N 259.397 3.622 30 20 CHED C=CC[C@H](C)N[C@@H](CCCOC)c1ccc(F)cc1 442854304 ACUJLBGJRABYEY-BBRMVZONSA-N 265.372 3.848 30 20 CHED N#Cc1csc(/C=C/c2nc3c(C(=O)O)cccc3o2)c1 352004536 AIZVIAPYUSSPBQ-SNAWJCMRSA-N 296.307 3.630 30 20 CHED CC[C@H](N[C@H](CC)C1CCOCC1)c1ccc(C#N)cc1 447527826 GBEIZDSJBVYDDD-ZWKOTPCHSA-N 286.419 3.804 30 20 CHED Cc1cc(CNC[C@H](C)Oc2ccccc2F)ccc1C#N 444004268 QLCJBXLWXGDJHZ-AWEZNQCLSA-N 298.361 3.563 30 20 CHED CC(C)(C#N)CNC(=O)c1ccc(Oc2ccccc2)cc1 611688922 UPHKCPRPNRJENU-UHFFFAOYSA-N 294.354 3.758 30 20 CHED C[C@H](NC(=O)Cc1cccc(C#N)c1)[C@@H](C)C1CCCCC1 531392682 MRGLGTMUIBWUHS-CABCVRRESA-N 298.430 3.822 30 20 CHED COc1cc(CNC[C@H](C)c2cccc(C)c2)ccc1C#N 440828286 SMDRFKKHRNWQSW-HNNXBMFYSA-N 294.398 3.769 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](C)CC 359497360 APFFNZGTDFMLQN-LBPRGKRZSA-N 273.380 3.755 30 20 CHED N#CCCN(Cc1ccco1)C(=O)c1sccc1Cl 351972950 YIGGIVQGGCUCKW-UHFFFAOYSA-N 294.763 3.551 30 20 CHED CC(C)(C#N)CCCN1CCCO[C@@H](c2ccccc2)C1 610447630 FDYSALLGUGZDHI-QGZVFWFLSA-N 286.419 3.780 30 20 CHED Cc1cc(C)cc(CN[C@H]2CCc3cc(C#N)ccc32)c1 618741547 HASBZHHMFCZPAX-IBGZPJMESA-N 276.383 3.952 30 20 CHED CN(CCCC(C)(C)C#N)Cc1ccc(F)cc1F 266883135 BBYRBRWEYDWZIC-UHFFFAOYSA-N 266.335 3.727 30 20 CHED CCCCCCCC(=O)Nc1ccc(CNC(C)=O)cc1 265009825 KZSZEPGEWYVCEK-UHFFFAOYSA-N 290.407 3.622 30 20 CHED CCCCO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C1(C)C 530904080 CSNDQZUYLCEKQV-HUUCEWRRSA-N 292.448 3.693 30 20 CHED Cc1cc(C)c(C#N)c(N2CC(c3cccc(Cl)c3)C2)n1 450821566 ROQUXWKNWYPMOG-UHFFFAOYSA-N 297.789 3.827 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccsc2Cl)C1 617778245 BJBVWVZKZSMCOO-SNVBAGLBSA-N 269.797 3.830 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCC1(O)CCCCCC1 611393285 SBEALQBGWHJCHN-GOSISDBHSA-N 298.430 3.611 30 20 CHED CC[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C1CCCC1 456663999 QIYLHLIGFVXCAI-SUMWQHHRSA-N 284.403 3.747 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@H](NCC(C)(C)CC#N)C1 459683733 BDMNKGFITRKVSW-CVEARBPZSA-N 285.435 3.946 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CC#N)c(Cl)c1Cl 458040476 KNVWUXCJBQRCAO-UHFFFAOYSA-N 299.201 3.972 30 20 CHED CCn1c(S[C@@H]2CC[C@H](C#N)C2)nc2ccccc21 278547833 KWOJBQBMPVNCFZ-NWDGAFQWSA-N 271.389 3.841 30 20 CHED CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1F 274560246 YJYQBQISNVVWAL-HCKVZZMMSA-N 264.319 3.698 30 20 CHED CCCCOc1cccc(NC(=O)CC(C)(C)C#N)c1 278208669 GQXXABJKNSSKTA-UHFFFAOYSA-N 274.364 3.744 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1cccc(F)c1 455308591 JPYPCBMLOJWKFU-OAHLLOKOSA-N 276.355 3.638 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2nc(C)cs2)CCCCC1 615961368 NLZGWTLZUYSKNN-CYBMUJFWSA-N 292.448 3.950 30 20 CHED C[C@H]1CC=C(C(=O)N[C@@H](C#N)c2ccccc2Cl)CC1 455647238 LLTNJGBXWMYFPR-NHYWBVRUSA-N 288.778 3.767 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)N1CCC[C@](C)(C#N)C1 618469029 VQYPCICFCMSDAD-WMLDXEAASA-N 291.439 3.681 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 450468718 OXRUSYHKGSKFJL-HZPDHXFCSA-N 257.377 3.605 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)C1(C)C 361624285 YKZMUAZHRXMOGD-OLZOCXBDSA-N 293.798 3.611 30 20 CHED C[C@@H]1CC[C@H](C(=O)NCC(C)(C)CCC#N)C[C@H]1C 451781415 XNTHPSBWZCKTLU-MCIONIFRSA-N 264.413 3.505 30 20 CHED C=CC(C)(C)CNC(=O)Nc1nc(C2CCC2)cs1 455388101 ZHNAZVJLDCFWEQ-UHFFFAOYSA-N 279.409 3.744 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)C1CCC1 457477384 XLOSUGYJRQWPPH-LBPRGKRZSA-N 286.375 3.720 30 20 CHED CCn1cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cn1 453376895 PLIPNILQLZDCJT-SCLBCKFNSA-N 294.402 3.503 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 456074991 XFGOZFVTPYOHFN-LSDHHAIUSA-N 277.795 3.916 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 452117439 IISPVQWJUWJEOZ-QWHCGFSZSA-N 251.414 3.872 30 20 CHED N#CCCCNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 273319598 WVBILWIZWWFRFO-KRWDZBQOSA-N 297.402 3.542 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1ccsc1 455529102 XYLKWJPENWWMCV-ZDUSSCGKSA-N 264.394 3.561 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 270279744 LUAWYWSMLWWQPJ-GOSISDBHSA-N 290.366 3.730 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc3nccnc3c2)no1 544969899 FLALFTCKRVBBJB-UHFFFAOYSA-N 292.342 3.916 30 20 CHED C=C(CC)CN[C@@H](C)c1cc(OC)c(OC)cc1C 540397815 JOJLEPKNLIRPRV-ZDUSSCGKSA-N 263.381 3.629 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cccc(C)c2F)no1 278918271 CTHBSYYYLBVFOT-LLVKDONJSA-N 276.311 3.838 30 20 CHED Cc1cc([C@@H](NCCCSCC#N)C2CC2)ccc1F 272093317 NOOQXNBZMQPAKZ-INIZCTEOSA-N 292.423 3.822 30 20 CHED N#CCC1CCN(Cc2cnc(C3CCCC3)s2)CC1 543782154 WPWADQIURUAJQA-UHFFFAOYSA-N 289.448 3.926 30 20 CHED CC[C@H](NCCCc1nccs1)c1ccc(C#N)cc1 278904383 ZREFJHXUBMQSDH-HNNXBMFYSA-N 285.416 3.688 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(CC#N)cc1 270421997 USBXKPQMQJJRNP-RHSMWYFYSA-N 284.403 3.793 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@@H]2CCCC[C@H]12 543893481 VOGNKIIKCBLWLU-DAXOMENPSA-N 272.367 3.708 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[C@@H]1C 466699778 LODRSCQHBTYUHU-DOTOQJQBSA-N 286.419 3.820 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(OCC)cc1 280715138 DYMZVABWQWMRNW-ZVZYQTTQSA-N 289.419 3.717 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@H]1OCCc2ccccc21 620858877 RKRMPMUWDWWCNP-MRXNPFEDSA-N 287.403 3.552 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(CCC(C)C)c1CC 466533871 KQVZVBOULAFCFJ-CQSZACIVSA-N 291.439 3.576 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1cccc(C)c1 554433868 CPCMBETZMUWXCR-UHFFFAOYSA-N 259.393 3.646 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)[C@H](C)CCC 460937154 NROQFRCYSUYDDI-CYBMUJFWSA-N 276.428 3.747 30 20 CHED CC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)C1CCC(C)CC1 461019692 APJKBJSPNSIEDF-CVSAEHQPSA-N 278.440 3.893 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1ccccc1OC 281323366 KGURXQDRFQZKDM-KGLIPLIRSA-N 275.392 3.660 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@@H]1CCC[C@H]1C 469493973 MVQPNHLAPCPKPR-CABCVRRESA-N 287.403 3.694 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@H]1c1ccccc1)C1CC1 552490351 OVPNNKMURYLLDX-IRXDYDNUSA-N 284.403 3.683 30 20 CHED CC(C)c1ccc(CCN(CCC#N)CC2CC2)cc1 469895813 FSYUPNIIQVTFNF-UHFFFAOYSA-N 270.420 3.978 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccc(Cl)cc1)C(C)C 472772696 PCTAYBODSIOCPA-HZPDHXFCSA-N 281.827 3.954 30 20 CHED CCc1cc(NC(=O)Cc2c(F)cccc2C#N)ccc1C 556971164 KHONJZAQPXWXQU-UHFFFAOYSA-N 296.345 3.749 30 20 CHED C=CCCCCNC(=O)N1CC(C)(C)[C@H]1c1ccncc1 293164370 XQVQXDAWARAADX-OAHLLOKOSA-N 287.407 3.530 30 20 CHED C=CCC[C@H](CCC)Nc1ccc(F)c(NC(N)=O)c1 293577524 BTPBCSJKHZMHME-NSHDSACASA-N 279.359 3.863 30 20 CHED C/C(=C\c1ccccc1OC(F)F)CN(C)C[C@H](C)C#N 290386145 IZLLGZDHRDVVKG-YQCJOKCJSA-N 294.345 3.783 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2cc3ccccc3o2)nn1 806569738 GTAKATRUGVNYRU-FPLPWBNLSA-N 281.315 3.501 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cc(F)ccc1O 806177437 AJPLCYOVPJPPJG-NSHDSACASA-N 264.344 3.512 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CCCc1ccsc1 803296726 PFGDBNXWFFKWGC-UHFFFAOYSA-N 299.399 3.623 30 20 CHED N#CCCN(Cc1ccc(F)cc1F)C1CCCC1 299446622 YDXYRICGDMWGMF-UHFFFAOYSA-N 264.319 3.623 30 20 CHED C#Cc1cncc(C(=O)N2CCC[C@H]2CCC2CCCC2)c1 807099544 YPEOFZSXDPDRCW-SFHVURJKSA-N 296.414 3.638 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccccc1OC 299250526 BLWXFQYXYULCET-HNNXBMFYSA-N 295.382 3.558 30 20 CHED C=CCOCCCOc1ccc2[nH]c(C)c(C)c2c1 478822993 FFGUKJAFGSOMTN-UHFFFAOYSA-N 259.349 3.756 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/C=C\c2ccc(F)cc2)c1 806558461 DCOYWEMSOUGFCH-OYHXRHOKSA-N 296.297 3.976 30 20 CHED CC[C@@](C)(C#N)C(=O)OCC(=O)c1cccc2ccccc12 803785090 VULHMEDQXMFXNR-SFHVURJKSA-N 295.338 3.506 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(F)cc1O 806178566 VNMWKGPZWICJFR-LLVKDONJSA-N 264.344 3.512 30 20 CHED N#Cc1cc(Cl)ccc1N1CC[C@@H](c2cccnc2)C1 569098804 NRPBRYQPZAWIKH-CYBMUJFWSA-N 283.762 3.601 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C=C)c1ccccc1)C(C)(C)C 807879504 CTTKASFYAUQPMI-GOEBONIOSA-N 269.388 3.510 30 20 CHED CC(=NN[C@@H](C)CCc1ccc2c(c1)OCO2)C1CCC1 802714492 OVYCFYASJPEKSZ-LBPRGKRZSA-N 288.391 3.502 30 20 CHED CC[C@H](C)CCC(=O)N(CCC#N)c1ccc(F)cc1 569949008 FSNLACVVEHPWEQ-ZDUSSCGKSA-N 276.355 3.899 30 20 CHED C=CCOCCCN1CC=C(c2cccc(C)c2)CC1 470768272 YYEXEAFIBIGCOI-UHFFFAOYSA-N 271.404 3.677 30 20 CHED C=CCCCCNC(=O)Nc1nc2ccccc2s1 472126769 USTXRVDERNWNSK-UHFFFAOYSA-N 275.377 3.774 30 20 CHED C[C@@H](C=NNc1oc(C(C)(C)C)nc1C#N)C(C)(C)C 800811482 WKVPDSACWWRIMP-JTQLQIEISA-N 276.384 3.924 30 20 CHED C=CCC[C@@H](O)CN(CC=C)Cc1ccc(Cl)s1 472768215 HNUFUBPLKCTCRU-GFCCVEGCSA-N 285.840 3.717 30 20 CHED Cc1cc(C(F)(F)F)nn1Cc1ccc(C#N)cc1Cl 562056354 GFYITXVZTZXBMM-UHFFFAOYSA-N 299.683 3.784 30 20 CHED C=CCC(C)(C)CNC(=O)c1sccc1Cl 293812027 QTWIXWHCJRROFA-UHFFFAOYSA-N 257.786 3.734 30 20 CHED C=CCN(C(=O)c1cc(-c2ccco2)on1)c1ccccc1 647742007 WBJQUUYYSWQZDE-UHFFFAOYSA-N 294.310 3.767 30 20 CHED Clc1nc2ccccc2cc1C=NOC1CCC1 812237304 UAZGGTBQGXOHGX-UHFFFAOYSA-N 260.724 3.791 30 20 CHED C=CCC1(C(=O)NCc2noc3ccccc23)CCCC1 565170232 HIODMGQETTXCRO-UHFFFAOYSA-N 284.359 3.581 30 20 CHED Cc1cccc(C=NN[C@@H](C)COc2ccccc2)c1C 811667669 AIAGLGRMKDHIGM-HNNXBMFYSA-N 282.387 3.694 30 20 CHED CCC(=NOCC(C)C)c1ccc(Cl)c(N)c1 814883988 KVBUPVNJEICSNG-UHFFFAOYSA-N 254.761 3.709 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 569199788 ASPXVYLYPDMYFZ-HOCLYGCPSA-N 297.402 3.909 30 20 CHED N#C[C@H]1CCCC(=NNc2ncc(Cl)cc2Cl)C1 814740148 IPPXRTRSPWLJKC-QMMMGPOBSA-N 283.162 3.870 30 20 CHED CCCCCCCCC/C=C\C(=O)N[C@@]1(C)CCOC1=O 813295165 UCNYVBWMCLHOGE-CPFIRTDXSA-N 295.423 3.505 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H](CSC)C1 817058747 BEHFLLYNZWHGDG-CQSZACIVSA-N 271.470 3.949 30 20 CHED C=C(C)CCNC(=O)CCc1ccc(C)c(Cl)c1 650931220 JUKKYNMTHZFPEW-UHFFFAOYSA-N 265.784 3.663 30 20 CHED C[C@H]1CCCC[C@@H]1N1CCC(=NOC2CCC2)CC1 812236817 VPIKREFBMBQURY-BBRMVZONSA-N 264.413 3.586 30 20 CHED CCCCCCCC(=O)NCc1cccc(C(C)=O)c1 816697380 ZUNHBBQXELUFAW-UHFFFAOYSA-N 275.392 3.866 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N[C@@]2(C#N)CC2(C)C)c1 484909547 KKYHRKUIYCWJLP-AUUYWEPGSA-N 298.430 3.797 30 20 CHED CC(CCCO)=NNc1c(Cl)cccc1Cl 814871397 ADJYEPFZGAETFT-UHFFFAOYSA-N 261.152 3.554 30 20 CHED C[C@@H]1CC(=NN2CCC(C(C)(C)C)CC2)CC[C@H]1C(=O)O 814914026 ZHGHFYOIWINFFX-IUODEOHRSA-N 294.439 3.621 30 20 CHED Fc1ccc(CON=Cc2cccc3cc[nH]c23)cc1 814903472 LGGZOXUYVOSZPB-UHFFFAOYSA-N 268.291 3.858 30 20 CHED CCCCCCCC(=O)N(C)Cc1occc1C 814163372 UDXLHOJKYZVXQA-UHFFFAOYSA-N 251.370 3.907 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N[C@@H]1CC[C@H](C#N)C1 819633821 QZCVBNINNGYLEP-SQWLQELKSA-N 264.413 3.791 30 20 CHED CC(CCCO)=NNc1ccc(Cl)cc1Cl 814751686 QHYCJJLZADPIIY-UHFFFAOYSA-N 261.152 3.554 30 20 CHED C=CCCNC[C@H](C)c1cccc(Br)c1 657582815 HSTLLGZTUPEHMN-NSHDSACASA-N 268.198 3.718 30 20 CHED CO[C@](C)(C=NNc1cccc(Br)c1)C1CC1 814787113 VZBCFVDMBZLLAO-CYBMUJFWSA-N 297.196 3.662 30 20 CHED C=CCCCCOC(=O)c1cccc(-c2nnc(C)o2)c1 811010664 DJPYGLMRXNLIPM-UHFFFAOYSA-N 286.331 3.558 30 20 CHED C=CCCC1(c2nc(Cc3c[nH]c4ncccc34)no2)CC1 575025565 YCXQJHOWLVLDNL-UHFFFAOYSA-N 294.358 3.535 30 20 CHED C#CCN(C(=O)C[C@H](CC)C(C)C)C1CCCCC1 729348822 YGHWQJUNEHNMHU-HNNXBMFYSA-N 263.425 3.853 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C)nc2C(F)F)cc1 812239823 FUIFFHGTKYZOQQ-FPLPWBNLSA-N 276.286 3.562 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=C1CCC[C@@H](C#N)C1 814906559 ABPYYUAOAYOIMS-AEFFLSMTSA-N 283.419 3.913 30 20 CHED COc1cc(F)cc(NN=Cc2ncc(C(C)C)s2)c1 814870742 QYOMBJSDRNIORN-UHFFFAOYSA-N 293.367 3.860 30 20 CHED C=CCCOC(=O)CSc1ccc(C)cc1C 729072175 AUFBSEFUTKXLBK-UHFFFAOYSA-N 250.363 3.515 30 20 CHED C=CCCCC[C@@H](C)NC[C@](C)(C(=O)O)c1ccccc1 650804658 IYOYXENFUJECFW-QAPCUYQASA-N 289.419 3.753 30 20 CHED CCCC[C@H](CC)C(=O)OCc1ccc(F)cc1C#N 728622220 CQZMEZGXLXDCNQ-LBPRGKRZSA-N 277.339 3.957 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 820447459 HTJGHJNXCWWONX-BBRMVZONSA-N 272.392 3.593 30 20 CHED C[C@@H](Cc1cccs1)N[C@H]1CCc2ccc(C#N)cc21 581183527 FHCABIDUOPHWQB-SJCJKPOMSA-N 282.412 3.828 30 20 CHED C=C(CC)CN1CCC(Cc2ccccc2C(=O)O)CC1 583642645 PDSMFFYJGIFVAN-UHFFFAOYSA-N 287.403 3.606 30 20 CHED C[C@H](Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@@H]1CCOC1 824723047 ZSHHGVCJTYGCPF-QWHCGFSZSA-N 288.391 3.572 30 20 CHED Cc1ccc(C#N)cc1C(=O)OC1CCC(F)(F)CC1 906065865 XPBDTUPNDHPEBD-UHFFFAOYSA-N 279.286 3.601 30 20 CHED N#Cc1ccc(-c2ccn(Cc3cccnc3Cl)n2)cc1 733193362 IUBQKORXRPLBEX-UHFFFAOYSA-N 294.745 3.518 30 20 CHED C=CCC1(N[C@H]2CCCCC[C@H]2C)CCOCC1 668551480 OIKOEEIAEXQBCP-CABCVRRESA-N 251.414 3.670 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N1CCC2(CCC2)CC1 588022493 VSXHSNZENTYPKU-QGZVFWFLSA-N 296.414 3.552 30 20 CHED CC(C)(C)c1csc(NC(=O)c2ccsn2)c1C#N 583486026 RCJNQYCGCAPFRO-UHFFFAOYSA-N 291.401 3.626 30 20 CHED Cc1ccccc1NC(=O)[C@H](C)SCC1(C#N)CCC1 583134111 BGCHRRVNBZPAPK-ZDUSSCGKSA-N 288.416 3.749 30 20 CHED CC[C@@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1 902994181 MAMDLOTYTFMPLU-ZIAGYGMSSA-N 282.309 3.940 30 20 CHED CC[C@H](NCCSC(C)C)c1cccc(C#N)c1 902988398 RJNMVCQQJJRJAD-HNNXBMFYSA-N 262.422 3.741 30 20 CHED C=CC[C@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1 661381368 JROCWDSBTYNFBU-INIZCTEOSA-N 293.414 3.932 30 20 CHED CC[C@H](C)[C@@H](C=NNc1ncnc(Cl)c1C(C)C)OC 834975425 KRHDYWGGQYSPSR-WDEREUQCSA-N 298.818 3.712 30 20 CHED O=C(CC[C@H]1CCCO1)N(O)Cc1cccc2ccccc12 900092103 YESKGVLBNKHWIC-MRXNPFEDSA-N 299.370 3.517 30 20 CHED C[C@@H](NN=Cc1csc2ccccc12)C(F)(F)F 834996769 VYGKKIJEJPTCGD-MRVPVSSYSA-N 272.295 3.776 30 20 CHED N#Cc1ncccc1N[C@H]1CCC[C@@H]1c1ccccc1 580373310 PTPFCYQHCHWDDF-CABCVRRESA-N 263.344 3.701 30 20 CHED Cc1ccc2cccc(C(=O)O[C@H]3CCC[C@H](C#N)C3)c2n1 839449089 LUASWPYRUUEPOW-ZFWWWQNUSA-N 294.354 3.782 30 20 CHED C=CC[C@@H](NC(=O)c1coc2ccccc12)c1ccncc1 734459811 LBNBOHAAAASERP-MRXNPFEDSA-N 292.338 3.875 30 20 CHED C=CCN(Cc1cccc(O)c1Br)C(C)C 838795008 WZRMYJODVXPFQX-UHFFFAOYSA-N 284.197 3.551 30 20 CHED C[C@H](C=NO[C@@H]1CCCCO1)c1cc(F)cc(F)c1 834967095 SPAPEOSXOSEACU-QMTHXVAHSA-N 269.291 3.597 30 20 CHED C=CCC[C@@H](CCC)N[C@H](CO)c1ccc(F)cc1 584307958 KICGFZFTTOHNTL-HZPDHXFCSA-N 265.372 3.584 30 20 CHED C#CCC1(C(=O)N(CC)Cc2occc2C)CCCCC1 839885132 WOHIBYCENWOAQE-UHFFFAOYSA-N 287.403 3.910 30 20 CHED N#CC1(C(=O)OCc2cc(Cl)sc2Cl)CCC1 835977226 ADJMZNXIORLLHP-UHFFFAOYSA-N 290.171 3.792 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccc(C)s2)cc1 733325459 NJWTUVJQYZKQQT-AWEZNQCLSA-N 285.412 3.919 30 20 CHED C=CCC[C@@H](NCC(C)(C)C1CCOCC1)C1CC1 903243511 FHZJWMGQBSJSLC-MRXNPFEDSA-N 265.441 3.774 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCc2ccccc2Cl)C1 839044851 VQCPUSYATOGJCK-OCCSQVGLSA-N 291.778 3.898 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCC[C@H](C3CC3)C2)n1 588855153 UVPUGJDCASQRRQ-HNNXBMFYSA-N 283.419 3.877 30 20 CHED Cc1nc2cc(NC(=O)C#CC(C)(C)C)ccc2s1 837520580 NUBLZSDOQHKHGS-UHFFFAOYSA-N 272.373 3.593 30 20 CHED C[C@H](CC(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 839047257 DOZAKUUFFLTDPO-DVOMOZLQSA-N 289.350 3.945 30 20 CHED C=CC(C)(C)C(=O)OCC(=O)Nc1cccc(C(C)C)c1 837864864 MTSOOLZYHUOFJI-UHFFFAOYSA-N 289.375 3.504 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)c1ccccc1F)c1ccncc1 734460351 OXKMCOVKGFSFOP-SUMWQHHRSA-N 298.361 3.758 30 20 CHED COc1ccc(CCNN=C(C)c2sccc2C)cc1 737439789 IHSUJFHYHRNPOI-UHFFFAOYSA-N 288.416 3.621 30 20 CHED C=CCONC(=O)N[C@H](c1cccs1)C(CC)CC 838704480 RQHNMJBRFOILFK-ZDUSSCGKSA-N 282.409 3.642 30 20 CHED COc1cc(C=NNc2ccccc2Cl)ccc1O 916262764 YCRAXKJFPDADIS-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C=C(C)CN(CC)C(=O)CSCCC=C(C)C 596421925 HTVVQMHCCRSSKE-UHFFFAOYSA-N 255.427 3.501 30 20 CHED CCC[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)OCC 599058792 GDTBXQKNEQKPPM-DOMZBBRYSA-N 278.371 3.553 30 20 CHED COc1ccccc1C=NNc1ccccc1Cl 916262463 HIEBHDZUOMNXHM-UHFFFAOYSA-N 260.724 3.795 30 20 CHED Cc1cc(C#N)ccc1-c1ccc(NC(=O)C(C)(C)C)nc1 592985902 INFNHHZPBCPAPE-UHFFFAOYSA-N 293.370 3.913 30 20 CHED Cc1cc(NC(=O)N2CCC[C@@H](CC#N)C2)ccc1Cl 596942599 BYVREJUABDEAKP-LBPRGKRZSA-N 291.782 3.806 30 20 CHED N#CC1(CCSc2nnc3ccccn23)CCCCC1 591124373 QOOCOVOIMVADSX-UHFFFAOYSA-N 286.404 3.686 30 20 CHED Fc1cccc2c1SCCC2=NOCc1cccnc1 746585955 PLKQHKPQKMXHFR-UHFFFAOYSA-N 288.347 3.637 30 20 CHED COc1ccc(C=NNc2ccccc2Cl)cc1O 916262465 HMZSPCFEJFPVCD-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C#C[C@@H](CCC)NC(=N)Nc1c(CC)cccc1CC 849092954 MRNALCBMWPOPAH-HNNXBMFYSA-N 271.408 3.550 30 20 CHED C#CCN(C(=O)NC[C@H]1CCCC[C@H]1C)C1CCCCC1 744857147 HTPRHXZOIVDLRT-HZPDHXFCSA-N 290.451 3.790 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(CC)cc1 596451331 UQNJLDKUBFQNAY-UHFFFAOYSA-N 278.421 3.680 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1cccnc1 918135760 KPSIGCURCVENMX-OAHLLOKOSA-N 291.439 3.877 30 20 CHED C=CCCSCCNC(=O)c1ccccc1SCC 597970105 BPJNYHQUACGFBH-UHFFFAOYSA-N 295.473 3.838 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@H]1CCC(C)=C(C)C1 842682593 FXORAZRWYFNPOP-AWEZNQCLSA-N 285.343 3.609 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Oc1cccc(OCC#N)c1 841343043 TUUURPPJHCUCFQ-ZIAGYGMSSA-N 287.359 3.711 30 20 CHED Cc1c(C#N)c(N2CCC[C@H](CC#N)C2)nc2ccccc12 596324929 GDDLFAIZIWAQMH-CQSZACIVSA-N 290.370 3.545 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)Cc2c(F)ccc(F)c21 749591860 TXHGWROLUWDDMY-YFHOEESVSA-N 274.241 3.926 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1scnc1C)C2=O 848642945 NDLZZROXWAZIEZ-NTUHNPAUSA-N 269.369 3.891 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1ccccn1)c1cccc(Cl)c1 744025771 NIVCSXIRCVLFPN-FZMZJTMJSA-N 284.746 3.715 30 20 CHED CCN(C(=O)CCc1ccc(Cl)cc1Cl)[C@@H](C)C#N 598350646 QQFYNEIKSVYCBY-JTQLQIEISA-N 299.201 3.687 30 20 CHED CC/C(=C/C(=O)N[C@@H](C#N)CC(C)C)c1ccc(C)cc1 741680574 IKOFYYUHBLGPEW-JBXOJTMHSA-N 284.403 3.843 30 20 CHED CSCc1cccc(-c2cccc(C[C@@H](C#N)CO)c2)c1 592987191 WPJHZOXWDZFVMF-INIZCTEOSA-N 297.423 3.891 30 20 CHED N#C[C@@H](NC(=O)/C=C/C1CCCCC1)C1CCCCC1 748720353 XSHGBDPHZYHAFQ-LPQFERQCSA-N 274.408 3.712 30 20 CHED N#Cc1ccc(N2CCC(NCCCC3CCC3)CC2)cc1 594977380 LCZMBZLIBYIBDX-UHFFFAOYSA-N 297.446 3.697 30 20 CHED C=CCN(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(C)C 842196236 MHZVKBYAYUGMQI-KRWDZBQOSA-N 297.402 3.542 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)CC1 597545584 QOHSPROCONHMSR-LSDHHAIUSA-N 276.424 3.936 30 20 CHED CCC[C@H](C#N)NC(=O)c1coc2ccc(Cl)cc12 593107672 MKUSAKPUKPRMPG-SNVBAGLBSA-N 276.723 3.508 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c([N+](=O)[O-])ccc(F)c1C 843847491 AVVTZBQCZGVXAO-SNVBAGLBSA-N 294.326 3.517 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 590673091 OHSRLIVTHSNGEB-XNRPHZJLSA-N 270.376 3.562 30 20 CHED CC[C@@H](NC(=O)N(C)CC(C)(C)C#N)C1CCCCC1 590921958 FRFNPGHORPYOQD-CQSZACIVSA-N 279.428 3.536 30 20 CHED CSCC1(CC(=O)Nc2ccc(C#N)cc2Cl)CC1 593100639 GUDXMYGRSWYPPO-UHFFFAOYSA-N 294.807 3.683 30 20 CHED COCC1(CC/N=C\c2cc3ccccc3nc2O)CCC1 840706482 NISBRAYGOMQPRF-UNOMPAQXSA-N 298.386 3.566 30 20 CHED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@H](C)C#N 597081528 BTLDZIMKCOHRKS-FZMZJTMJSA-N 284.325 3.776 30 20 CHED C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)C[C@H](C)C1 596173010 OKEAFXQRKFNHMU-RKDXNWHRSA-N 269.801 3.541 30 20 CHED Fc1ccccc1NN=Cc1ccc2ccccc2n1 741458619 PFFKXMVWMXWZJT-UHFFFAOYSA-N 265.291 3.820 30 20 CHED C#CC1CCN(C(=O)c2ccccc2SC(C)C)CC1 843708063 AEXAYMNEFLQWPY-UHFFFAOYSA-N 287.428 3.673 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H]2CCCC[C@H]2C)c1 920235289 QQSVOUWEUJPESH-UKRRQHHQSA-N 270.376 3.616 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](CN1CCCC1)c1ccccc1 924604213 LVXNFYDNMHGINP-FUHWJXTLSA-N 299.462 3.741 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@@H]1c1sccc1C 748448861 MPYBSEHTLWYIKE-RYUDHWBXSA-N 250.363 3.669 30 20 CHED CC(=NNc1cccc(F)c1)c1cnn(-c2ccccc2)c1 746494689 PMPCYYVOENQPBM-UHFFFAOYSA-N 294.333 3.848 30 20 CHED C=C[C@@H](CC(=O)OCc1cccc(C#N)c1)c1ccccc1 758910120 FVNIMBWAHWMDFA-KRWDZBQOSA-N 291.350 3.961 30 20 CHED C=CCCN(C)C(=O)c1ccnc(Oc2ccccc2)c1 682439364 XNRKDBFYYHNPDM-UHFFFAOYSA-N 282.343 3.522 30 20 CHED CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1ccc(C#N)cn1 926227644 GCUGLFOIHZRELB-DYVFJYSZSA-N 269.392 3.568 30 20 CHED CC(C)(C)O[C@H](C(=O)OCCCCC#N)c1ccccc1 754316198 PYCUAYLSOCJQEV-HNNXBMFYSA-N 289.375 3.780 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](C)[C@@H]1C 685550192 BLCGLYWOHMHDDV-HIFRSBDPSA-N 296.418 3.674 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C(=O)OCCCCC#N 751928787 XNKXMCMHLJQCBG-UHFFFAOYSA-N 290.750 3.980 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)cc2O)cc1F 757476319 PTGIDXFTKZQHFA-DAXSKMNVSA-N 286.302 3.744 30 20 CHED C#CCNC(=S)Nc1ccc2c(c1)oc1ccccc12 758189437 JWNINPUJJZIUOZ-UHFFFAOYSA-N 280.352 3.506 30 20 CHED CC(=O)Nc1cc(N[C@@H](C)CC(C)(C)C#N)ccc1F 925981595 DCEHQWJTYYJZIV-JTQLQIEISA-N 277.343 3.524 30 20 CHED Cc1cc(NN=CC2CCOCC2)ccc1Br 755663761 YZPZUTYOAACDEQ-UHFFFAOYSA-N 297.196 3.582 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2cc(F)ccc2C)[C@@H]1C 853393671 PAAJXVMWTBVJGS-NEPJUHHUSA-N 292.354 3.511 30 20 CHED C#CC[C@H](Nc1ncnc2sccc12)c1ccccc1 756845009 PFIKHOBMVZVAPG-AWEZNQCLSA-N 279.368 3.868 30 20 CHED Cc1ccccc1C1(C(=O)O[C@H](C)CC(C)(C)C#N)CC1 851209735 JDHTYWLCSRXKHV-CQSZACIVSA-N 285.387 3.898 30 20 CHED Cc1cccn2c(C=NNc3ccc(Cl)cc3)cnc12 755462261 QTNNTCUGXIIJPE-UHFFFAOYSA-N 284.750 3.742 30 20 CHED CCn1ccnc1C=NN[C@H](C)c1ccc(C(C)C)cc1 755662537 UFSXENWZIYRHFR-CQSZACIVSA-N 284.407 3.711 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(Cl)c(C)c1)OCC 756487590 OVSKYSCKHFVUQR-CQSZACIVSA-N 282.767 3.925 30 20 CHED C[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1ccccc1 751985573 GDGCMVWHRFRHMU-BBRMVZONSA-N 271.360 3.806 30 20 CHED N#CCc1cccc(NC(=O)N(CC2CC2)C2CCC2)c1 931687317 ULCHYLFTBGQVPK-UHFFFAOYSA-N 283.375 3.549 30 20 CHED C=C[C@H](CC)CC(=O)NCc1cc(C(CC)CC)no1 933511241 MAXVIHCSARQNER-GFCCVEGCSA-N 278.396 3.797 30 20 CHED Cc1cc(NN=C2C[C@@H](C(C)C)c3ccccc32)ncn1 766451711 VEWKGQNDDLPGSK-HNNXBMFYSA-N 280.375 3.745 30 20 CHED C=CC[C@@H](C)C(C)=NNc1cc(C#N)cc(Cl)n1 768374778 KREOBVDSKYFKLB-SECBINFHSA-N 262.744 3.607 30 20 CHED CCCCCCCCC(=O)OC[C@@H]1CCCCO1 936067472 UCKXPGJJEAKEBB-AWEZNQCLSA-N 256.386 3.849 30 20 CHED COc1ccsc1/C=C1/CCOc2ccccc2C1=O 764434195 XOUOYMGPSWMFTJ-KHPPLWFESA-N 286.352 3.806 30 20 CHED N#CCc1ccccc1Cc1nc([C@H]2CCCCS2)no1 762390596 WONXXHROTWCVGQ-CQSZACIVSA-N 299.399 3.685 30 20 CHED C#CCCc1noc(-c2oc3ccccc3c2CSC)n1 761999750 TWOXOKJODYUVKR-UHFFFAOYSA-N 298.367 3.912 30 20 CHED C=CCC[C@@H](NCc1cc(C)[nH]n1)c1ccccc1 1116488291 QQXGKEJRSWSTIW-MRXNPFEDSA-N 255.365 3.515 30 20 CHED Cc1ncsc1/C=C/C(=O)OCCCCC(C)(C)C#N 768877945 OFTUXADBQIBNDS-VOTSOKGWSA-N 292.404 3.728 30 20 CHED Cc1cccc(F)c1NN=Cc1cc(F)c(O)c(F)c1 769841013 RHIJBDGLNOZJOP-UHFFFAOYSA-N 280.249 3.564 30 20 CHED C#C[C@H](C)N(C)CC/C=C\c1ccc(Br)cc1 769978408 XYMNMJMPEPYTIR-VGVVRCBHSA-N 292.220 3.806 30 20 CHED Cc1cc(C)cc(OC(=O)c2cccc(F)c2C#N)c1 777407186 CJLRKHWNYULEMV-UHFFFAOYSA-N 269.275 3.533 30 20 CHED Cc1ccc(SCc2nnc(CCCC#N)o2)cc1 1118367409 LQJQLUAMYSFXCI-UHFFFAOYSA-N 273.361 3.517 30 20 CHED Cc1nc(-c2ccccc2)c(C(=O)OCC2(C#N)CC2)s1 775832399 OMORMYSAEYAHNZ-UHFFFAOYSA-N 298.367 3.579 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1cscn1 776191119 BRJYGZTYBMKKJH-UTCJRWHESA-N 281.283 3.641 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C1(F)CCCCC1 875980849 GUZHMWUUPZETSQ-UHFFFAOYSA-N 292.329 3.663 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(OC(C)C)c1 1117848035 QFINVJZSFASEHK-UHFFFAOYSA-N 269.291 3.624 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 879510967 BJIOHRNVDLOJAE-GFCCVEGCSA-N 293.357 3.883 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H](O)c1ccc(C)cc1 774491188 GLKVUEYTENWHMC-IAGOWNOFSA-N 261.409 3.753 30 20 CHED CCOCCON=C(C)c1cccc(-c2ccncc2)c1 774431811 FOGQPRIHHCMWCB-UHFFFAOYSA-N 284.359 3.526 30 20 CHED N#Cc1cc(/C=C2\Cc3c(F)cc(F)cc3C2=O)ccc1F 770575217 OSPNOVDSZSWGFH-XCVCLJGOSA-N 299.251 3.798 30 20 CHED C#CCN(Cc1ccc(Cl)cn1)[C@@H]1CCc2ccccc21 778216717 UTSDUHPMNNZOME-GOSISDBHSA-N 296.801 3.858 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)[C@@H](O)c1cccc(F)c1 773045160 YGGRBFUWPFVYNU-RRQGHBQHSA-N 279.399 3.972 30 20 CHED C[C@H](CC(=O)[C@@H](C#N)c1ncc(Cl)n1C)CC(C)(C)C 1123336345 HBXXIQJIPFECPX-GHMZBOCLSA-N 295.814 3.712 30 20 CHED C=CCC[C@H](NCc1nc2cc(F)ccc2n1C)C1CC1 773000392 OZLBHYRTKVBSMC-AWEZNQCLSA-N 287.382 3.547 30 20 CHED C=C[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 1123663151 QMHRFFBKLGJDKE-HFTRVMKXSA-N 282.387 3.545 30 20 CHED Cc1ccc(C(=O)NCc2cccc(C(C)C)c2)cc1C#N 1128225271 MBBUFKXBBVCKGI-UHFFFAOYSA-N 292.382 3.920 30 20 CHED Cc1cc(F)ccc1-c1ccc(C=NNCC(C)C)o1 771568055 WBFUSSWNFJIJHQ-UHFFFAOYSA-N 274.339 3.974 30 20 CHED CC(C)[C@H](Cc1ccccc1)N[C@H]1CC[C@@H](C#N)C1 779051366 GYBHFECQOFNOLE-IKGGRYGDSA-N 256.393 3.536 30 20 CHED C=CC[C@@H](C(=O)Oc1ccc2c[nH]nc2c1)c1ccccc1 778668040 UBPQCVTUBZWKSN-MRXNPFEDSA-N 292.338 3.828 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1cnn(C)c1C 778544433 JLCOYHHPEFFQJN-UHFFFAOYSA-N 297.280 3.550 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2ccc(F)cc2Cl)c1 1124424988 NIILXINLXNWZAG-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=C(CC)COC(=O)CCSc1ccc(F)cc1 773472983 JPRLJRJILMWCQL-UHFFFAOYSA-N 268.353 3.817 30 20 CHED CCc1ccccc1CN1CCc2c(C#N)cccc21 1559927164 JHQGGVBTKYEGHD-UHFFFAOYSA-N 262.356 3.683 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1cccc(C(=O)O)c1 783772088 JOUBCHOQBPCTKW-WCQYABFASA-N 260.337 3.609 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(CN2CCCCC2)cc1 882950355 HXCHUFQMCQNUMG-UHFFFAOYSA-N 298.430 3.661 30 20 CHED CO[C@H](C(C)=NNc1ncccc1Cl)c1ccccc1 782206623 PPWJCYXNOBRSNJ-CQSZACIVSA-N 289.766 3.911 30 20 CHED Cc1[nH]c2ccccc2c1C=NNCCC(C)(C)C 782907734 OFAISTPXHGCPPX-UHFFFAOYSA-N 257.381 3.836 30 20 CHED CCCc1ccc(C(=O)/C=C\c2c(Cl)cnn2C)cc1 780185118 ZDXSZCFYJIEPIE-KTKRTIGZSA-N 288.778 3.922 30 20 CHED Clc1ccc(C=NNCCc2ccccn2)c(Cl)c1 789112265 DCUVSCSQLQGUPI-UHFFFAOYSA-N 294.185 3.555 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(C#N)n1 1125575302 DDHSPRKUNHIVPB-UKRRQHHQSA-N 299.418 3.536 30 20 CHED CCC(C)(C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887704566 KCLFUFYLUOXYPB-UHFFFAOYSA-N 284.403 3.700 30 20 CHED CCCCCCCC(=O)Nc1cnn(C(F)F)c1 781060809 QXHBJUTZEBKZPC-UHFFFAOYSA-N 259.300 3.577 30 20 CHED CC(=O)c1ccccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 784100424 AYNFQOWCPYHDIV-ZDUSSCGKSA-N 293.322 3.679 30 20 CHED C=CCCN(C)C(=O)NCCCCCCC(C)C 786219124 BRAGKRBRCRBHBT-UHFFFAOYSA-N 254.418 3.810 30 20 CHED N#Cc1cnc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)s1 896489045 LQOCHVMZULGGOG-RAIGVLPGSA-N 289.404 3.560 30 20 CHED CC(C)(C)CCCOC(=O)c1cccc(CC#N)c1 781164659 SWOMVLDRVYUQNJ-UHFFFAOYSA-N 259.349 3.736 30 20 CHED N#CCn1c(C(=O)OCCC2CCC2)cc2ccccc21 783444543 FDRATFLLKGSKIV-UHFFFAOYSA-N 282.343 3.512 30 20 CHED CSc1ccccc1COC(=O)c1ccc(CC#N)cc1 781251492 AETRJURIBSMVJG-UHFFFAOYSA-N 297.379 3.832 30 20 CHED C=CCCN(C)C(=O)/C=C(/C)c1ccccc1OC(F)F 786223007 JCFKBBBFRJNQCK-QXMHVHEDSA-N 295.329 3.726 30 20 CHED COc1cc(Cl)ccc1CNCc1ccc(C#N)cc1 107718966 DRIDRUYHAQWWAU-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C=CC(C)(C)C(=O)NCCC1CCC(F)(F)CC1 890056690 DWSZHRPHPUHVOH-UHFFFAOYSA-N 259.340 3.530 30 20 CHED Cc1cccnc1NN=Cc1ccc(Br)s1 790193054 QDVRMQSROUCMEM-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C=CCOCCN(C)[C@H](C)c1cccc(Cl)c1 549366958 DHOWGFBJSPWPFK-GFCCVEGCSA-N 253.773 3.535 30 20 CHED C#C[C@H](CCC)NC(=O)c1sc2ccc(C#N)cc2c1C 794452603 DIVZEKYLHIXZFV-CYBMUJFWSA-N 296.395 3.613 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc2ccccc2nc1O 796462940 PLYBDYYVFLAAQU-UHFFFAOYSA-N 285.343 3.586 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NNCCC(F)(F)F 794544586 CKTONPGUWCRSMD-UHFFFAOYSA-N 298.230 3.890 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)o2)cc(C(F)(F)F)c1 794453263 LLPLTDDEASZMPP-UHFFFAOYSA-N 294.232 3.731 30 20 CHED CCOc1ccc(C=NNc2ncccc2C)cc1OCC 790191301 SPLBQGWVWMSLIA-UHFFFAOYSA-N 299.374 3.633 30 20 CHED C[C@@H](CC#N)NC(=O)c1sc2ccccc2c1Cl 194718138 SQZHVXJXWIXIRG-QMMMGPOBSA-N 278.764 3.587 30 20 CHED CC[C@H](C)NN=Cc1c(C)[nH]c2ccc(Cl)cc12 790181932 APJVQTZXVONLGX-VIFPVBQESA-N 263.772 3.852 30 20 CHED C=CCCC(C)(C)NCc1ccc(Br)o1 657805849 UNBGQYVQHHTNSF-UHFFFAOYSA-N 272.186 3.877 30 20 CHED Cc1ccc(NN=C2CCC(C)(C)c3ccccc32)nn1 794857553 SDRALLWHINHLSS-UHFFFAOYSA-N 280.375 3.673 30 20 CHED C#CCOc1ccc(CNc2cnn([C@@H](C)CC)c2C)cc1 791005227 QXIVMNRYYQVIRD-AWEZNQCLSA-N 297.402 3.787 30 20 CHED CC(C[C@H]1CCOC1)=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 794541100 HZQRLESMFOFBNO-KCYZZUKISA-N 278.440 3.593 30 20 CHED N#Cc1nccnc1NCC1(c2cccc(Cl)c2)CCC1 1307191347 PMIWARUAUPGCBK-UHFFFAOYSA-N 298.777 3.535 30 20 CHED C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](C#N)C1 1308063949 KVLAORQLCJISDB-NEPJUHHUSA-N 298.308 3.882 30 20 CHED CCc1nc(C#N)cc(S[C@@H](C)c2cccc(OC)c2)n1 1162773139 ANIPTHMCRGHPIO-NSHDSACASA-N 299.399 3.773 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2)c(C)n1CC1CC1 1318256827 UDNZIQZDEMLIIX-UHFFFAOYSA-N 293.370 3.639 30 20 CHED COc1cc(O)ccc1/C=C1\CCc2ccc(F)cc2C1=O 1320647905 DYNHHMNUBWNZAF-MDWZMJQESA-N 298.313 3.752 30 20 CHED CC1(CC(=O)Nc2ccc(OCC#N)cc2)CCCCC1 1320120244 OWKMZFKUXJJBSD-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C=CCC1(C(=O)NCCCc2nc(C)cs2)CCCC1 1324721327 FHHPASLUZFHHDB-UHFFFAOYSA-N 292.448 3.637 30 20 CHED CCCCCCCNC(=O)Nc1ccc([S@](C)=O)cc1 1329965526 JSWXPHDGXVZYAZ-FQEVSTJZSA-N 296.436 3.516 30 20 CHED C#Cc1cccc(NCc2ccc(-c3cnn(C)c3)cc2)c1 1322446004 OZPRRTUZIBMZJC-UHFFFAOYSA-N 287.366 3.681 30 20 CHED Cc1ccc(NN=Cc2cnc([C@@H](C)O)s2)cc1Cl 1320994428 MNRBCAJEQMKWRF-SECBINFHSA-N 295.795 3.604 30 20 CHED CC[C@H](Cc1ccccc1)N(C)c1cc(C)c(C#N)cn1 1185536535 ZTZYYTQYEPESGX-QGZVFWFLSA-N 279.387 3.719 30 20 CHED C[C@@H](C(=O)N(c1ccccc1C#N)C1CCC1)C(F)(F)F 1334261399 LAEOUFKLMCJCJH-JTQLQIEISA-N 296.292 3.642 30 20 CHED CC(C)[C@]1(C)C[C@@H]1c1nnc(COc2ccccc2C#N)o1 1333090473 IUUHBNVJVIYKEM-DYVFJYSZSA-N 297.358 3.670 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)[C@@H](C)C#N)CCC2)cc1 1331193428 OWCSVVHFZAOOKQ-AWEZNQCLSA-N 284.403 3.602 30 20 CHED CCOc1ncccc1CN[C@@H](CC)c1cccc(C#N)c1 1334812109 BEERWGHLGWKRRL-KRWDZBQOSA-N 295.386 3.593 30 20 CHED C=CCCCCn1cc(C)n(-c2ccc(C(C)=O)cc2)c1=O 1261377812 GPTCQKONEMDHAR-UHFFFAOYSA-N 298.386 3.506 30 20 CHED CC1(C)CC[C@H](c2nnc(-c3ccc(C#N)cc3)o2)C1 1346601575 PYWBVFCGDNFGGM-ZDUSSCGKSA-N 267.332 3.902 30 20 CHED C=C[C@H](Cc1nnc(CC2CC2)o1)c1ccccc1 1341612439 UHAAIXIYCFCVRW-CYBMUJFWSA-N 254.333 3.534 30 20 CHED C=C(CC)C(=O)N[C@@H](CCCCOC)c1ccccc1 1263816009 QBTPUCWPDZWFHM-INIZCTEOSA-N 275.392 3.627 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cccc(-c2ccncc2)c1 1342731815 HLDWJNDVECEXLR-KBXCAEBGSA-N 282.387 3.600 30 20 CHED Cc1ccc(CCOC(=O)C[C@H](CC#N)c2ccccc2)o1 1343897712 ZHEMAMDLLHMMJL-INIZCTEOSA-N 297.354 3.761 30 20 CHED C=C(Cl)CN[C@H](CC)c1ccccc1OCC 1192772342 WRHLJSNQDYMYJT-CYBMUJFWSA-N 253.773 3.879 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1CC(=O)c1cccs1 1346896143 QFRVJQCKFUXGHP-CYBMUJFWSA-N 291.416 3.668 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 1342111233 OGERAUMEOBJOFV-PBHICJAKSA-N 297.402 3.759 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cncc2ccccc12 1341228746 CYJHUYYEMDSXPK-UHFFFAOYSA-N 286.334 3.615 30 20 CHED C[C@@H]1CCC[C@H](CNCc2cc(C#N)ccc2F)C1 218940350 SPEWTDOKSFTFGF-OCCSQVGLSA-N 260.356 3.613 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H]1CC1(C)C 1464910675 KYBLULZSBBHELQ-UONOGXRCSA-N 271.364 3.504 30 20 CHED C=CC[C@H](SCc1ccc(SC)cc1)C(=O)O 1602850737 YNLYRIYRUZPGGU-LBPRGKRZSA-N 268.403 3.671 30 20 CHED N#Cc1cccc(SCc2csc(C(=O)O)c2)c1 1601121365 LNJNCCFCBMPTMH-UHFFFAOYSA-N 275.354 3.610 30 20 CHED O=C(O)CC1CC(=NNc2ccc(Cl)cc2Cl)C1 1601939388 ARNJDYUMFUUBOT-UHFFFAOYSA-N 287.146 3.646 30 20 CHED Cc1cc(NCc2ccc(F)c(Cl)c2)ncc1C#N 1472679589 XDTRYLMBZHTZOC-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C[C@@H](NCc1cccc2ncccc12)c1cccc(C#N)c1 1473787090 ZOTVIUGGVDEPDQ-CQSZACIVSA-N 287.366 3.957 30 20 CHED C[C@H](NCc1csc(Cl)n1)c1cccc(C#N)c1 1620572697 NCMWQWNVVCBZAM-VIFPVBQESA-N 277.780 3.519 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(F)c(C#N)c(F)c1 1625863960 SEMXZHKGXVCYMM-QLJPJBMISA-N 292.329 3.535 30 20 CHED CSc1ccc(N(C)C(=O)c2ccccc2CC#N)cc1 1565704074 XESJYOBQNXFPNY-UHFFFAOYSA-N 296.395 3.751 30 20 CHED Cc1nocc1CSc1ccc(Cl)cc1C#N 1640957460 UUCVIHMHPSPTPB-UHFFFAOYSA-N 264.737 3.800 30 20 CHED CC[C@H](NCc1ccc(F)cc1C#N)[C@H]1CC1(C)C 1643481854 PROVRZDXEGJMDZ-CABCVRRESA-N 260.356 3.612 30 20 CHED Cc1cc(=NCC2CC(C)(C)CC(C)(C)C2)c(C#N)c[nH]1 1640136170 UTLIGBXBGCYQCS-UHFFFAOYSA-N 285.435 3.948 30 20 CHED C=C[C@@H](N[C@H](C)c1ccc(Cl)c2ccccc12)C(=O)O 1588692605 FQOAZRMQNZHPAJ-MEBBXXQBSA-N 289.762 3.783 30 20 CHED N#Cc1ccc2c(c1)N(Cc1cccc3ncccc13)CC2 1654032200 IVRIDEQGFOGJAT-UHFFFAOYSA-N 285.350 3.669 30 20 CHED CCc1cccc(N(C)C(=O)Nc2cccc(C#N)c2)c1 1673021769 FVXIZIIAVMIFTJ-UHFFFAOYSA-N 279.343 3.789 30 20 CHED C=CCc1ccccc1/C=C/c1ncc(C(=O)O)s1 1776189050 DOFKCUPVUDSSCR-CMDGGOBGSA-N 271.341 3.740 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CCC2C[C@@H](C)C[C@H](C)C2)C1 1776160487 JGIHJBWCAIKBEL-MPGHIAIKSA-N 293.451 3.802 30 20 CHED CC(C)c1cccc(/C=C/C(=O)c2cncc(C(=O)O)c2)c1 1776375986 PSPHPTHSPZIWQX-VOTSOKGWSA-N 295.338 3.799 30 20 CHED CC(/C=C/C(=O)c1cncc(C(=O)O)c1)=C\c1ccccc1 1776398817 KOWBHKBHTGGDIE-NJHPPEEMSA-N 293.322 3.622 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(CCC2CCCCCC2)C1 1776160479 HKWPLARXKMIVQR-QGZVFWFLSA-N 279.424 3.700 30 20 CHED CCCOc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 13007446 CUFHUIVEPYRBIY-YVLHZVERSA-N 296.322 3.797 30 20 CHED C=CCN(CC=C)S(=O)(=O)c1ccc([C@@H](C)CC)cc1 13939925 NKJPGEMEBNMBEF-AWEZNQCLSA-N 293.432 3.563 30 20 CHED C[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl 162590737 AQTCXEMMPQVJCS-NHYWBVRUSA-N 262.784 3.880 30 20 CHED C=C(Br)CN[C@H](c1ccccc1)C(F)(F)F 158943382 LKTVMKDNLKIPEG-SNVBAGLBSA-N 294.114 3.788 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](CC)SC)c1ccccc1 151323544 IFFNKQLYPHBJLS-CABCVRRESA-N 277.433 3.952 30 20 CHED N#CCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 153660648 LGTIKOZKFMQYHR-CQSZACIVSA-N 290.775 3.521 30 20 CHED Cc1cc(CN(C)C)cc(NCc2cccc(C#N)c2)c1 156434077 AQISVFNIIJAJOB-UHFFFAOYSA-N 279.387 3.540 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1ccccc1F 156588967 OPURMXWKCAZLCV-BQYQJAHWSA-N 261.683 3.770 30 20 CHED Cc1ccc2oc(C(=O)O[C@@H](C#N)C(C)(C)C)cc2c1 154556145 JUIKRCNADJBORQ-AWEZNQCLSA-N 271.316 3.836 30 20 CHED CC#CCCSCc1nc(Cc2ccccc2C)no1 154958223 AKPMIZAEWMRUNN-UHFFFAOYSA-N 286.400 3.615 30 20 CHED C=C(Cl)COC(=O)CSc1ccc(Cl)cc1 916610136 YBPVOVASSUYQQA-UHFFFAOYSA-N 277.172 3.728 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1cc(C2CC2)n(C)n1 927106811 FXKVBCROBARZLK-CZUORRHYSA-N 273.424 3.522 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(F)c(Cl)c1 157931576 COUFGCJCJDDXOK-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@H](C)c1ccco1 186185426 SEUQBXSQGKLXCI-CYBMUJFWSA-N 254.333 3.653 30 20 CHED COc1cccc(CN(C)c2cc(Cl)ccc2C#N)c1 62789956 AYJOKHXRKQVYCW-UHFFFAOYSA-N 286.762 3.857 30 20 CHED C=CCCCNC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C 189949304 SKJPTEPPOXYESW-IAGOWNOFSA-N 286.463 3.699 30 20 CHED N#CCCOc1ccc(Br)c(C(F)(F)F)c1 307988863 VEAQALPMXUERQN-UHFFFAOYSA-N 294.070 3.760 30 20 CHED CCC[C@H](CC(C)C)C(=O)NC1(C#N)CCCCC1 308095238 ZMQMWPCMCRULFY-CQSZACIVSA-N 264.413 3.791 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2sccc2Cl)c1 308178785 BURNMCLFAQBWCE-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCNC(=O)c1ccc(NCCC(C)(C)SC)cc1 385303249 KZRWFABNNWFKRA-UHFFFAOYSA-N 292.448 3.546 30 20 CHED CCOc1ccccc1COc1cccc(C#N)c1 58858786 NJODZUBDWOVZMT-UHFFFAOYSA-N 253.301 3.536 30 20 CHED CCC(CC)[C@H](O)C/N=C/c1c(O)ccc2ccccc12 110129672 KRYGBLALCUDACH-HDAJJNEKSA-N 285.387 3.761 30 20 CHED Cc1ccc(CCCCC(=O)[C@@H](C#N)c2ccccn2)cc1 69344574 XKAUJEFHCRRQHL-KRWDZBQOSA-N 292.382 3.979 30 20 CHED C=CCCc1nc(-c2ccc(N3CCCCC3)cc2)no1 174336907 RBJMJLQKKKUWLB-UHFFFAOYSA-N 283.375 3.846 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)CCC2 104978636 ASQMKSWZZNPUFR-UHFFFAOYSA-N 258.365 3.605 30 20 CHED C=CC1CCN(C(=O)c2csc3c2CCCC3)CC1 110968903 DWHSUDROAVJPTJ-UHFFFAOYSA-N 275.417 3.665 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CCC1 464822760 NXTZMZOCGLSPAP-IRXDYDNUSA-N 254.377 3.558 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(c2ccc(Cl)c(C#N)n2)C1 302113746 BOOVIQIEEWIULK-XHDPSFHLSA-N 298.777 3.589 30 20 CHED N#Cc1ccc(NC[C@H](c2ccco2)N2CCCCC2)cc1 301067753 KIXCXJDCVNOETI-QGZVFWFLSA-N 295.386 3.790 30 20 CHED Cc1cc(C)cc(N/C(N)=N/Cc2ccccc2Cl)c1 303700694 HSEGWWYKRDJPMO-UHFFFAOYSA-N 287.794 3.884 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 69334583 IIQCDIQIQDOQML-YOEHRIQHSA-N 287.403 3.544 30 20 CHED N#C[C@H](Sc1ncccc1[N+](=O)[O-])C1CCCCC1 115187469 GJKZRWOCZZMYMJ-LBPRGKRZSA-N 277.349 3.554 30 20 CHED C=CC1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C)CC1 111260317 HGSUKPMUEHPNSF-HNNXBMFYSA-N 286.419 3.528 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 1347618027 RFTZEJMFGYJHFW-GFCCVEGCSA-N 286.400 3.954 30 20 CHED O=C(/C=C/c1ccc(-c2ccccc2)o1)c1cnccn1 115962623 QKSQWEWLKAMXIM-SOFGYWHQSA-N 276.295 3.633 30 20 CHED C=C(C)COC(=O)c1nc(-c2ccccc2)cs1 61241127 MILXCBLSEOZGDC-UHFFFAOYSA-N 259.330 3.543 30 20 CHED C=CCN1CCC(NC(=O)CCCCCCCC)CC1 171719901 TYDDCCTWNSWQHF-UHFFFAOYSA-N 280.456 3.504 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C)[C@@H]1C 179348029 TXBOUXPUYOUDBP-AAEUAGOBSA-N 271.364 3.519 30 20 CHED CCCCCCCSc1nnc(-c2ccncc2)n1C 125298928 PUHZYBYQHUIRPE-UHFFFAOYSA-N 290.436 3.940 30 20 CHED CC(C)(C#N)CCCN1CCO[C@@](C)(c2ccccc2)C1 121681943 IRHSDTSQFCLQHD-GOSISDBHSA-N 286.419 3.564 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(N2CCC(C)CC2)c1 185869848 VXUYOVFQQJXVGQ-UHFFFAOYSA-N 298.430 3.911 30 20 CHED CC(C)CCc1nc(CO/N=C2/CCCOCC2)cs1 180467451 NFVLWZVHQACQPJ-LGMDPLHJSA-N 296.436 3.805 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2ccc(C)c(C)c2)o1 127020444 AKIJGUPJEMGRFD-GFCCVEGCSA-N 273.361 3.748 30 20 CHED CC(C)N(C)c1ccc(Nc2ccc(C#N)cn2)cc1F 301169976 SXYUBKQGMKQWID-UHFFFAOYSA-N 284.338 3.681 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2ncccc2c1 123913419 OVLZVIAYONEFJN-UHFFFAOYSA-N 266.344 3.942 30 20 CHED N#CCCCOc1cc(Br)ccc1Cl 70199419 KICJVTNBLMDFTD-UHFFFAOYSA-N 274.545 3.785 30 20 CHED C=CC[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 186032842 NWYNZVXKZFDLTJ-QGZVFWFLSA-N 283.346 3.802 30 20 CHED CSc1ccc(C(=O)/C=C/c2cncs2)cc1 129969631 HTDYRNPKVSITIX-VOTSOKGWSA-N 261.371 3.761 30 20 CHED C=CCc1cc(CN(C)[C@@H](C)CCC)cc(OC)c1O 507026040 LPFUSYNDQWJDFF-ZDUSSCGKSA-N 277.408 3.750 30 20 CHED CC(C)c1cccc(CNc2cccc(C#N)n2)c1 475741065 UWQUMAAKWXJHEL-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C=CCCCCN(C)Cc1nc(-c2cccs2)no1 519744530 UMYPIQPSWBKSJZ-UHFFFAOYSA-N 277.393 3.586 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 505007026 YVOKFTAPMRLVBR-QGZVFWFLSA-N 284.403 3.830 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(F)c1C 72602064 HOCGKBFQSSVRDJ-UHFFFAOYSA-N 250.317 3.564 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(CSCC)ccn1 188553571 YXCRKMRXLSCLSF-HNNXBMFYSA-N 278.421 3.876 30 20 CHED C[C@@H](NCC(C)(C)c1cccnc1)c1ccc(C#N)cc1 414341432 VPXMOYVUYWCJEN-CQSZACIVSA-N 279.387 3.582 30 20 CHED CC[C@H](CN(CCC#N)Cc1cccnc1)c1ccccc1 505863466 DHEMFLXFQNJASD-GOSISDBHSA-N 293.414 3.991 30 20 CHED C=CCCOCCNC(=O)Nc1ccccc1C(C)(C)C 122677728 WZHTZZNWUQEZTI-UHFFFAOYSA-N 290.407 3.698 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)c2ccccc2F)CC1 180490244 SBFAZDCURVXYPQ-GOSISDBHSA-N 290.426 3.907 30 20 CHED CC[C@]1(C)CCCN(Cc2cc(C#N)ccc2F)C1 362385005 QACCIOLMYNVXJO-MRXNPFEDSA-N 260.356 3.709 30 20 CHED Cc1ccc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1[N+](=O)[O-] 185850118 AZTUWXRPDJUIJQ-IPYPFGDCSA-N 287.363 3.636 30 20 CHED CCCOc1ccc(CNCc2cccc(C#N)c2)c(C)c1 188795415 CNHIKAPBIFRROS-UHFFFAOYSA-N 294.398 3.945 30 20 CHED C=CCNC(=O)[C@H](C)SCCCc1ccc(Cl)cc1 77416200 ADQXKYATPJFMRU-LBPRGKRZSA-N 297.851 3.697 30 20 CHED C=C[C@@H]1CCCCN1Cc1cn2cc(Cl)ccc2n1 489506538 HMFJJAYKNWOAAW-CQSZACIVSA-N 275.783 3.528 30 20 CHED C[C@@H](NCc1nc(C2CC2)cs1)c1cccc(C#N)c1 182023796 LLHJVCHNIVXFRP-LLVKDONJSA-N 283.400 3.743 30 20 CHED C[C@H](C#N)OCCOc1ccc(Cc2ccccc2)cc1 314048037 QLGIRLHIBAKVEC-OAHLLOKOSA-N 281.355 3.585 30 20 CHED CCN(Cc1ccc(Cl)cc1)[C@@H](C)CCC#N 411201572 LQGPWDLVOLBLIF-LBPRGKRZSA-N 250.773 3.854 30 20 CHED CCCC[C@@H](CC)C(=O)N(CCC#N)CC(C)C 48322292 OMHGIYISZHRBJB-CQSZACIVSA-N 252.402 3.601 30 20 CHED C=C(C)[C@H](NC(=O)CO[C@@H](C)CC)c1ccc(F)c(F)c1 186081838 BAOJYCVQYFMMKK-ZBEGNZNMSA-N 297.345 3.513 30 20 CHED CC(C)=CCNC(=O)c1sc2ccc(C#N)cc2c1C 506180757 WNZPHDXIDZKWPW-UHFFFAOYSA-N 284.384 3.777 30 20 CHED C[C@H](CCC1CC1)Nc1ccccc1O[C@H](C)C#N 186497587 VKPHJKDFRAXPGI-CHWSQXEVSA-N 258.365 3.968 30 20 CHED C=CCN(CC=C)C(=O)Nc1sc(C)nc1CC(C)C 135429052 HKVHSLBCIMBICI-UHFFFAOYSA-N 293.436 3.856 30 20 CHED Cc1cc(N=C(O)[C@@H]2C[C@@]23CCOC3)c2ncccc2c1 329609338 CWDACIUFSNAIAE-SUMWQHHRSA-N 282.343 3.558 30 20 CHED Cn1cc(CN2CCC[C@@H](c3ccccc3)CC2)cc1C#N 191311005 KBRYRFWVXYMIES-GOSISDBHSA-N 293.414 3.666 30 20 CHED N#C[C@H](NC(=O)C=C1CCC1)c1cccc(Cl)c1Cl 87332025 DCOYLGVYEMFNPR-LBPRGKRZSA-N 295.169 3.785 30 20 CHED C[C@H]1C[C@H](C)CN(c2ccc(C#N)c(Br)c2)C1 228176292 UWMCKCOCYHRERY-QWRGUYRKSA-N 293.208 3.803 30 20 CHED C=CCNc1ccc(Cl)cc1NC(=O)c1ccco1 133061092 XLEJJIMCHQYQGA-UHFFFAOYSA-N 276.723 3.783 30 20 CHED CC(C)CCC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425127684 JBLLHDUMSHDBIQ-CYBMUJFWSA-N 258.365 3.514 30 20 CHED CC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 229750422 NKEVALDWWCHLRW-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED CCC1CCC(C/N=C(/O)[C@H]2CCCC(O)=N2)CC1 328805821 NFQVQPYBDYHNMQ-WXRRBKDZSA-N 266.385 3.668 30 20 CHED CC(C)c1ccccc1OC(=O)Cc1ccc(C#N)cc1 194710431 KOYQJNCLTILJIC-UHFFFAOYSA-N 279.339 3.830 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Cc1ccccc1C 45934677 USJAPCLKLBLGIC-UHFFFAOYSA-N 279.383 3.752 30 20 CHED COc1cccc2cc(C(=O)O[C@@H](C)C(C)(C)C#N)oc12 130480497 AKRYMAUKDYTBMQ-JTQLQIEISA-N 287.315 3.536 30 20 CHED Cc1ccc(CC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 425120521 AUEDIGSTEBRSQA-OAHLLOKOSA-N 292.382 3.629 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1coc(-c2cccs2)n1 134891623 QAKGGNKWSWMCHM-OAHLLOKOSA-N 290.388 3.622 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 425854465 XQCDXTIYGQWMOX-XHSDSOJGSA-N 291.439 3.679 30 20 CHED Cc1c(F)cccc1NC(=O)N(C)Cc1ccc(C#N)cc1 81110924 DLRCFVRLCZRVLT-UHFFFAOYSA-N 297.333 3.670 30 20 CHED COc1ccc(CNCc2ccc(Cl)s2)cc1C#N 87824386 MLTFNAMKPPVQHI-UHFFFAOYSA-N 292.791 3.572 30 20 CHED CSc1n[nH]c(N=C(O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 328752000 CQSZADPLKGZMQB-OUAUKWLOSA-N 294.424 3.721 30 20 CHED C[C@@H](CC(=O)NCC#Cc1ccccc1)C1CCCCC1 510933015 VQGDKQGYNKSGMC-INIZCTEOSA-N 283.415 3.761 30 20 CHED COc1cc(/C=C/C(=O)c2occc2C)ccc1C 193143135 UMXWPMBOSUSQGC-VOTSOKGWSA-N 256.301 3.801 30 20 CHED C=CC(C)(C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 334598168 NAFHOMMKMZIVKE-OAHLLOKOSA-N 297.402 3.829 30 20 CHED C[C@@H](C/N=C/c1ccccc1O)COCc1ccccc1 193686034 DIIWVYYCCWIMHJ-UZUMKDMXSA-N 283.371 3.664 30 20 CHED N#Cc1c(Cl)nsc1Oc1ccc(F)c(F)c1 92582707 WYOGWOKYZUDBRX-UHFFFAOYSA-N 272.663 3.739 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425114254 SKNQIFWAFLIDKK-LXZKKBNFSA-N 284.403 3.904 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H]1CCC(C)(C)C1 514224193 ZBFYTFBVNCPNDR-CQSZACIVSA-N 287.403 3.694 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccncc2Cl)cc1 91450869 LDBAGGPLJWIDBX-UHFFFAOYSA-N 299.761 3.788 30 20 CHED C[C@@H]1CCC[C@@H](C)N(c2snc(Cl)c2C#N)C1 92657262 DFEARIOSTVAJMU-RKDXNWHRSA-N 269.801 3.683 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@]12CCC[C@@H]1C2 421544613 ZECMXNROBAHCFU-AEFFLSMTSA-N 269.388 3.782 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(F)F)cc1 338617722 HSEPMUUBAVQUOK-UHFFFAOYSA-N 253.292 3.662 30 20 CHED C=CCC[C@@H](NCCc1ccc(C)nc1)c1ccco1 515049300 PHBBGKGVSZGLKG-MRXNPFEDSA-N 270.376 3.823 30 20 CHED CCCC[C@H](CC)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 330918615 NIIGUJFUULMMJE-DZKIICNBSA-N 264.413 3.791 30 20 CHED N#Cc1ccccc1OCc1cc(Cl)ccc1F 230400532 DEBSSQIBCCWALR-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CCN(Cc1cccc(OC2CCCC2)c1)C[C@H](C)C#N 91982678 DFEDEJPNXIBXQY-OAHLLOKOSA-N 286.419 3.990 30 20 CHED C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1C 437573396 BISPHGWJLWXNNI-CHWSQXEVSA-N 297.320 3.667 30 20 CHED CN(CCOC1CCCCCC1)Cc1ccc(C#N)cc1 524905223 BANTUDRZSYCXSK-UHFFFAOYSA-N 286.419 3.729 30 20 CHED Cc1ccccc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 345388222 ZLQCRXMQCMNRBR-AWEZNQCLSA-N 289.338 3.670 30 20 CHED CC[C@H](C)CN(C)c1ccc(F)cc1CNC[C@H](C)C#N 248641652 RJUHARRRKIXVRK-UONOGXRCSA-N 291.414 3.557 30 20 CHED CC(=O)c1ccc(OCC#Cc2ccc(F)cc2)c(C)c1 433378569 UNWVXOPCAJUDGG-UHFFFAOYSA-N 282.314 3.767 30 20 CHED C=CCOc1ccc(CN[C@H](C)[C@@H]2CC23CC3)cc1 527899467 RUJUFEHLDDLTGV-CJNGLKHVSA-N 257.377 3.530 30 20 CHED C=CCN(Cc1cc(F)ccc1Br)C1CC1 536742978 IIBJTVWZFXZEJY-UHFFFAOYSA-N 284.172 3.739 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cc(CC)ccn1 438168007 KEKAKQKGBHYEIC-UHFFFAOYSA-N 289.423 3.532 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CCC)Cc1ccccc1 436314890 NTLPHLUMNWPKIS-QRVBRYPASA-N 287.447 3.969 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)cc2cccnc12 342014663 IRNUOLOXSSPAMA-UHFFFAOYSA-N 274.751 3.536 30 20 CHED C[C@H]1CC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 438864088 NOJKZATYGFVERO-DJIMGWMZSA-N 299.418 3.909 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 342134042 JTRWJYZFBUDIDN-UHFFFAOYSA-N 287.322 3.806 30 20 CHED C=CCCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 521115110 SKILLKJHYGLGOA-UHFFFAOYSA-N 298.390 3.674 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc(OC)c2)CCCC1(C)C 347468916 NNFLJRQWWBBPMF-MRXNPFEDSA-N 287.403 3.902 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1CCC(C)(C)C1 602386481 LAPLIMHNWCWETI-CYBMUJFWSA-N 288.366 3.817 30 20 CHED C[C@@H](CCC#N)CNCc1ccccc1C(F)(F)F 602523918 IGYBVTYKAJIUAU-NSHDSACASA-N 270.298 3.735 30 20 CHED CCc1occc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 430513925 ZLCICCSSNWHTSL-GFCCVEGCSA-N 293.326 3.517 30 20 CHED CC(=NOCc1nccs1)c1cc2ccccc2o1 255060906 JVKDVIAUBKENSW-UHFFFAOYSA-N 272.329 3.830 30 20 CHED C=CC(C)(C)c1nc(Cc2ccc(F)c(Cl)c2)no1 528227036 GREKQBIDXXRSIJ-UHFFFAOYSA-N 280.730 3.917 30 20 CHED C[C@H]1Sc2ccccc2N(CC2(C#N)CC2)[C@@H]1C 343299354 GPCCKSGQCQJQRH-VXGBXAGGSA-N 258.390 3.679 30 20 CHED C=CC1CCN(C(=O)c2sccc2C2CC2)CC1 347825797 FCMALYMDGYBSET-UHFFFAOYSA-N 261.390 3.664 30 20 CHED C=CC[C@H]1N(C(=O)Nc2cccc(C)n2)CCCC1(C)C 436104852 QWFFVBLKGWPNHS-CQSZACIVSA-N 287.407 3.989 30 20 CHED CCOc1ccccc1[C@@H](CC)NCC1(CC#N)CC1 602803323 VZCWONHOPCMAMF-OAHLLOKOSA-N 272.392 3.820 30 20 CHED CCC(CC)N(CC(C)C)C(=O)NCC1(CC#N)CC1 431189227 ZASGDLLZJCDBGI-UHFFFAOYSA-N 279.428 3.536 30 20 CHED C=CCC[C@H](CCC)Nc1ccc(Cn2ccnc2)cn1 348847947 LDGCJRKDMOQQLH-INIZCTEOSA-N 284.407 3.873 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC)c1cc(F)ccc1F 342543388 VYKNQGUQBYQIRL-CQSZACIVSA-N 282.334 3.633 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccc3ccccc3c2)C1 349827240 HREWWPKLJWZMLU-CXAGYDPISA-N 250.345 3.622 30 20 CHED COc1cccc(C=Nc2ccc(F)c(C)c2)c1O 255867597 GKZGRYNBUNKOBS-UHFFFAOYSA-N 259.280 3.599 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)c2cnccc2C#N)CC(C)(C)C1 345391586 PBAGOJYZSBMYEC-ZIAGYGMSSA-N 299.418 3.536 30 20 CHED Oc1ccccc1C=Nc1cccc(OC[C@@H]2CCCO2)c1 255657545 SATRBVQGIUFHTP-KRWDZBQOSA-N 297.354 3.701 30 20 CHED CC1=NN(c2cc(Cl)ccc2Cl)C(=O)[C@H]1CCC#N 601939337 NOMVWEGXAHEMLN-JTQLQIEISA-N 296.157 3.636 30 20 CHED Cc1cc(NC(=O)/C=C\c2ccccc2C#N)ccc1F 255297857 NZTFAYQZVFAOHL-TWGQIWQCSA-N 280.302 3.658 30 20 CHED C=CCCN(C)Cc1ccccc1OC(F)(F)F 606896250 CHXROIWOMNJJQQ-UHFFFAOYSA-N 259.271 3.593 30 20 CHED Cc1cc(CN=c2cc(C#N)c3ccccc3[nH]2)ccc1F 524237295 QHEXHAZAGQALKB-UHFFFAOYSA-N 291.329 3.588 30 20 CHED CC(C)Oc1ccc(CN[C@@H](C)CC#N)cc1Cl 602871691 UPDVXCGVTUBRJJ-NSHDSACASA-N 266.772 3.519 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(C#N)cc1 449442353 YGWYYFTXMPESFF-INIZCTEOSA-N 272.392 3.589 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(C(N)=O)c(C)c1 449300293 NUHMFPXZQGVHSE-ZDUSSCGKSA-N 260.381 3.641 30 20 CHED Cc1cc(C)cc(C[C@H](C)NC[C@@H](C)CCC#N)c1 602558328 OTMMHWCKYYAGMT-BBRMVZONSA-N 258.409 3.764 30 20 CHED CCCCn1ncc(N[C@@H]2CCc3ccc(C#N)cc32)c1C 353672613 AIALUMCKPSIGJY-QGZVFWFLSA-N 294.402 3.963 30 20 CHED Cn1cc(CNC[C@@H]2CCC[C@@H]2c2ccccc2)cc1C#N 449403039 UTBCQBWBKXHOEL-PKOBYXMFSA-N 293.414 3.570 30 20 CHED CCCCCOc1ccc(CNC[C@@H](C)C#N)cc1 54179760 CJAZVZVSVGCPDZ-AWEZNQCLSA-N 260.381 3.505 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)CCc1ccc(F)cc1F 449548519 OCOWBHCLAADMNF-JLZZUVOBSA-N 295.373 3.609 30 20 CHED CCN(C(=O)[C@H]1CC12CCC2)[C@@H](C)c1ccc(C#N)cc1 610737319 MEMFBQPQLRWMMQ-XJKSGUPXSA-N 282.387 3.658 30 20 CHED CCCCCc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1 448578617 AUKHVAQSWBJMTM-CXAGYDPISA-N 270.376 3.908 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1N[C@H]1CC[C@H](C#N)C1 442856417 DLOCSPOCYZQXMY-MWDXBVQZSA-N 278.440 3.642 30 20 CHED CC(C)(NC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 536561777 UGYLGHXRCRBKIK-OAHLLOKOSA-N 285.391 3.519 30 20 CHED CCCCCN(Cc1ccc(F)cc1)c1ccc(C#N)nn1 611239437 GWFVCIPYMKQLCG-UHFFFAOYSA-N 298.365 3.684 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCC(C)(C)C1 443550495 JNFDBCLMCKMKKX-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 449904991 RWIJFYDXMHIVNS-CABCVRRESA-N 271.404 3.912 30 20 CHED CCC1(CC)CCN(C(=O)CCc2ccc(C#N)cc2)C1 446543911 HBFMLAFHUGZCTM-UHFFFAOYSA-N 284.403 3.530 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccc(-c3ccccc3F)o2)C1 615651556 UASXZAUMYLARSU-INIZCTEOSA-N 288.297 3.523 30 20 CHED CCN(Cc1c(C#N)c(C)nn1-c1ccccc1)CC(C)C 611346053 KPIGMZJOLXIDOF-UHFFFAOYSA-N 296.418 3.530 30 20 CHED C/C(=C/C(C)=C/c1ccccc1)c1nc(C)c(C#N)c(O)n1 619095329 RGGJFERXTUHWHE-HYWCIKMISA-N 291.354 3.869 30 20 CHED C=CCc1ccccc1OCC(=O)N(C1CC1)[C@@H](C)C1CC1 531374092 TVRRTROJEVGOHP-AWEZNQCLSA-N 299.414 3.583 30 20 CHED C=C(CC)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 450914623 PTFKHSSWWXNJLM-UHFFFAOYSA-N 272.251 3.574 30 20 CHED C=C(CC)CN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 453370926 RIMJGCFERWRDRQ-RHSMWYFYSA-N 277.383 3.849 30 20 CHED C=CCC1(NC(=O)[C@@H](CC)CC(F)(F)F)CCCC1 619111010 SVHKOGMFAGCBNR-NSHDSACASA-N 277.330 3.970 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1cccc(F)c1)C(C)(C)C 538233144 JRTVXNUWWCNFOZ-CVEARBPZSA-N 279.399 3.830 30 20 CHED C[C@H](CCc1ccsc1)NCc1cccc(C#N)c1 360974808 QESADRMOVGVVSR-CYBMUJFWSA-N 270.401 3.731 30 20 CHED N#CCN(Cc1cc(-c2ccccc2)ccc1O)C1CC1 271142158 PYUGUDFLVHOPRW-UHFFFAOYSA-N 278.355 3.547 30 20 CHED CCOc1ccc(Oc2snc(C)c2C#N)cc1 360831010 AXBSTCPZRUZDRH-UHFFFAOYSA-N 260.318 3.514 30 20 CHED CCOc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1O 611438934 TXJWGNRIXKWOFH-ZDUSSCGKSA-N 296.370 3.513 30 20 CHED CCn1c(S[C@H]2CC[C@@H](C#N)C2)nnc1-c1ccccc1 278619655 SJKJLBCAXDJAOV-OCCSQVGLSA-N 298.415 3.749 30 20 CHED C[C@H](CNC1(c2cccc(C#N)c2)CC1)C(C)(C)C 619844988 NRWJYKFYPHIFTP-CYBMUJFWSA-N 256.393 3.819 30 20 CHED N#CCc1ccc(CSc2cccc(C#N)c2)cc1 544072882 HGXFRQFTCCFQIU-UHFFFAOYSA-N 264.353 3.917 30 20 CHED N#Cc1nn(C/C=C/c2ccccc2)c2ccccc12 543265289 BHHPWSUSRRMDMQ-RMKNXTFCSA-N 259.312 3.621 30 20 CHED C=C(C)CCN(CC)CC(=O)Nc1c(C)cccc1C 274824291 ZCDKQGYEJGHIJU-UHFFFAOYSA-N 274.408 3.530 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1cccc(CC#N)c1 456723396 DVBALDWEXJQDEA-CYBMUJFWSA-N 270.376 3.908 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@]2(C)CCCCO2)c1 457546238 WTDHQLGVKJMEOZ-KRWDZBQOSA-N 289.375 3.539 30 20 CHED C#CCCCCC(=O)N1CC[C@H](c2ccccc2C)C1 271386580 TWQFFUPZOLKEBC-INIZCTEOSA-N 269.388 3.505 30 20 CHED Cc1cc2c(cc1C)[C@@H](NCCCC#N)CCS2 275350942 QPRJTSCBNUSRCZ-AWEZNQCLSA-N 260.406 3.734 30 20 CHED C=CCCN(C)C(=O)Cc1ccccc1OC1CCCC1 457738681 RDERZTJXKPQSMR-UHFFFAOYSA-N 287.403 3.585 30 20 CHED CN(CCCCC#N)CCc1cccc(Br)c1 361562100 KDMCFXFWUTWPQA-UHFFFAOYSA-N 295.224 3.617 30 20 CHED C=CC1CCN(c2nccc(-c3ccc(OC)cc3)n2)CC1 450335100 KEZSJYVXKHRVHT-UHFFFAOYSA-N 295.386 3.555 30 20 CHED C=CC[C@H](CC)NC(=O)NCC(C)(C)c1cccc(F)c1 544009887 UQVJTHSJOZGFCT-HNNXBMFYSA-N 292.398 3.757 30 20 CHED C=CCCCCNC(=O)N[C@@H](c1ccccc1)C(F)F 455654604 QLTOAMNVRQMZOH-ZDUSSCGKSA-N 282.334 3.648 30 20 CHED C=CCCc1nc(Cc2ccc(OC(F)(F)F)cc2)no1 545609261 AYLPKTLUWAPGRD-UHFFFAOYSA-N 298.264 3.678 30 20 CHED CC[C@H](Nc1cnn(CC(C)C)c1)c1ccc(C#N)cc1 278771187 PFXZLPJEYAPLSL-KRWDZBQOSA-N 282.391 3.974 30 20 CHED CC[C@@H]1c2ccsc2CCN1C(=O)CC(C)(C)C#N 278629248 XXYUWFHKDNVHRL-GFCCVEGCSA-N 276.405 3.524 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H](C)c2nc(C)cs2)c1 273371171 XNVULZCMIMXKET-SNVBAGLBSA-N 299.399 3.741 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCCCCC2)cc1 279571135 FZRAZBDSDLDHAQ-UHFFFAOYSA-N 270.376 3.504 30 20 CHED C=CCC[C@@H](C)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1 274814414 YSQHVDYDXVEHEN-DYVFJYSZSA-N 287.382 3.593 30 20 CHED CCCCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CC1 547955014 YKGXPVXPFIDLOX-UHFFFAOYSA-N 276.767 3.616 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1c(F)cccc1Cl 620863971 KPXJWGZCFCMQRK-UHFFFAOYSA-N 283.774 3.883 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 464275510 YUTQONIMMJLGBX-ZWNOBZJWSA-N 276.767 3.611 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C)cc1OCC 466325043 KNYGQEXCGYYBQH-ZDUSSCGKSA-N 276.380 3.870 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCCc1cccc(C#N)c1 467455066 QZBHEVFLMFLAIC-OAHLLOKOSA-N 294.398 3.769 30 20 CHED C=CCN(C(=O)Cc1c(F)cccc1Cl)C(C)(C)C 622942622 UELKDLSFBSYIIS-UHFFFAOYSA-N 283.774 3.835 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)[C@H](C)C1CCCCC1 466963356 JIKYSSJRLGLBEL-KBPBESRZSA-N 266.429 3.809 30 20 CHED CCCN(CCCC(=O)CC)Cc1ccc(C#N)cc1 289245176 BAQODNWXOKWNMB-UHFFFAOYSA-N 272.392 3.530 30 20 CHED C[C@@H](SCCOC1CCC1)c1cccc(C#N)c1 289051498 ABKMEHQSTUYNMW-GFCCVEGCSA-N 261.390 3.922 30 20 CHED C=C[C@H]1CCCCN1c1ncc(Cl)cc1Cl 553231727 BBGGHJYEVWIWJL-JTQLQIEISA-N 257.164 3.933 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H]1/C=C/c1ccccc1 374841156 QFQVISHISNLHLO-HHNLSAEISA-N 299.414 3.674 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1CCC(C)C 466320960 RDVBSJHJSOOLKG-CABCVRRESA-N 266.429 3.951 30 20 CHED C[C@H](NC[C@@H]1CCC[C@@H]1C)c1ccc(C#N)c(F)c1 467433260 PDISCOWGYVLYQK-HUBLWGQQSA-N 260.356 3.784 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCOC2(CCCCC2)C1 375230466 UJYACBYAJQPPOM-HNNXBMFYSA-N 294.439 3.524 30 20 CHED C=C(C)Cn1c(N2CC[C@H]3CCC[C@@H]32)nnc1C(C)(C)C 460560212 UFGPGIKMKQQIAP-KGLIPLIRSA-N 288.439 3.531 30 20 CHED COc1ccc(-c2nc3cc(F)ccc3s2)cc1C#N 463918695 IGRGWOKNWCWEGG-UHFFFAOYSA-N 284.315 3.983 30 20 CHED CC[C@H](CC#N)N[C@H]1CCC[C@@H]1c1ccc(C)cc1 468474441 FWSCJLCLBQZSIO-ZACQAIPSSA-N 256.393 3.913 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](CC2CC2)C1 555696750 DVRFQMIQCUYNGS-BBRMVZONSA-N 254.377 3.741 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1Cc2ccccc2C1 460963787 ZMWHMGXYOAYBDB-UHFFFAOYSA-N 296.418 3.717 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 289478613 IBAVFOAPQVOQFC-ZTFGCOKTSA-N 296.414 3.653 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cc(C(=O)OC)cs1 287477183 MQUDREKGKLJVNN-PWSUYJOCSA-N 267.394 3.540 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCNc2ccccc21 280940005 WAKDFONINMFTEI-JLSDUUJJSA-N 286.419 3.504 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 463072348 ZSOGWGZDMGHMGF-GHMZBOCLSA-N 288.416 3.873 30 20 CHED C=CC[C@H](C(=O)N[C@H](CC)CC=C)c1ccccc1 466525257 AVAIZMLEIRJVSV-CVEARBPZSA-N 257.377 3.817 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)CCC1 478949229 GOEZAIXSEGJFIY-DGXTUMSLSA-N 273.420 3.674 30 20 CHED C=CCOCCCN(C)[C@H](C)c1cccc(Cl)c1 470719037 AUYIRCMGDFSPOG-CYBMUJFWSA-N 267.800 3.926 30 20 CHED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1c(C)noc1C 804578721 JMFGZJQPBZRMQY-QMMMGPOBSA-N 296.783 3.836 30 20 CHED C=CCC1(C(=O)NCCCc2ccccc2F)CCC1 478129787 DGHQGNLONPOBTH-UHFFFAOYSA-N 275.367 3.621 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C)c(O)c(C)c1C 293385167 DJBAGLMJEAMGFP-UHFFFAOYSA-N 261.365 3.858 30 20 CHED C=C[C@H](CO)NC(=O)Nc1c(C(C)C)cccc1C(C)C 290394267 LSCUPPSMVHWAOR-CYBMUJFWSA-N 290.407 3.602 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(C(C)C)nc2)no1 296890294 OMJFXMASLKNUKV-UHFFFAOYSA-N 257.337 3.719 30 20 CHED C[C@@H](C#N)OCCOC(=O)C=C1CCC(C(C)(C)C)CC1 801848327 CLVFJUSVVSKTAE-CFMCSPIPSA-N 293.407 3.621 30 20 CHED C=CCCCN[C@H](c1nc(C)cs1)C(F)(F)F 295311651 GAXALRVNMKLCPL-SECBINFHSA-N 264.316 3.611 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1cccc(Cl)n1 800869788 DRLKMSXMIBVNFN-CYBMUJFWSA-N 269.735 3.706 30 20 CHED C=CCCCCCCNC(=O)Cc1ccc(OC)c(F)c1 805221647 UHDITTISXPCUML-UHFFFAOYSA-N 293.382 3.630 30 20 CHED Cc1ccc(CN2CCC(CCC#N)CC2)c(C)c1 566174698 VWUDRLOAHBAZMB-UHFFFAOYSA-N 256.393 3.819 30 20 CHED Cc1ccc(N(C)C(=O)CCCCCC#N)c(C)c1 807571885 SHYHNLSBCIEHNA-UHFFFAOYSA-N 258.365 3.740 30 20 CHED C#Cc1ccc(CN(C)[C@H](CC)c2ccncc2)cc1 290296593 AWZGXWBEGWCMMG-GOSISDBHSA-N 264.372 3.646 30 20 CHED N#Cc1cccc(CN2CC(Cc3ccc(F)c(F)c3)C2)c1 566906069 MEDUGOPKIBGFTP-UHFFFAOYSA-N 298.336 3.511 30 20 CHED Cc1ccc(NC(=O)c2sccc2C#N)c2c1NCCC2 560691551 OQWMNOIDSOXYGD-UHFFFAOYSA-N 297.383 3.539 30 20 CHED CC(C)(CCC#N)CNC(=S)Nc1ccc(Cl)cc1 806598327 RKZUSHKDZSIKSJ-UHFFFAOYSA-N 295.839 3.956 30 20 CHED C#C[C@@H](NC(=O)C1(CCC)CC1)c1ccc(Cl)cc1F 804416577 PRBIRWLLSIPFBT-CQSZACIVSA-N 293.769 3.850 30 20 CHED N#Cc1cc(=N[C@H]2CCC[C@H](c3ccccc3)C2)cc[nH]1 561339833 DBJUNJCVIMVASA-HOTGVXAUSA-N 277.371 3.513 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2CC[C@H]2C2CC2)cc1C#N 809635018 BMRHWFWJVYOAPL-GOEBONIOSA-N 299.374 3.727 30 20 CHED N#CCSCCCOC(=O)c1cccc(C2CCC2)c1 805553939 ASWJUJUACWXECI-UHFFFAOYSA-N 289.400 3.758 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc(C(F)F)cc1 803783278 ZHDJRNGVFBMLBH-CQSZACIVSA-N 267.275 3.607 30 20 CHED Oc1ccccc1/C=N\[C@H]1C[C@H](c2ccc(F)cc2)C1 814183727 NGKUIKULWQAQPH-NTFZKEOQSA-N 269.319 3.896 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc(CC)cc1 488840327 HDLYAVWEDIIJCX-QGZVFWFLSA-N 271.404 3.749 30 20 CHED CSCCCC=NNc1ccc([N+](=O)[O-])cc1Cl 814832311 BUTPXRZEARRPDH-UHFFFAOYSA-N 287.772 3.789 30 20 CHED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CCOCC1 561133098 ZBWBPOHERZJQNH-RTBURBONSA-N 298.430 3.730 30 20 CHED CC#CCN(C)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 561699942 YBZGMHBIDAEXAG-UHFFFAOYSA-N 277.795 3.733 30 20 CHED C#CCOc1ccc(NC(=O)CCc2ccc(C)s2)cc1 810369509 KFJQQEMCMGDWIS-UHFFFAOYSA-N 299.395 3.640 30 20 CHED C=CCC(C)(C)CNC(=O)CO[C@H]1CCCC[C@H]1CC 489795234 ICFIVAXTFBBALP-CABCVRRESA-N 281.440 3.690 30 20 CHED C=CCC(F)(F)C(=O)OCC(=O)c1ccc(CCC)cc1 815313978 BJIYYUPKWSXXMF-UHFFFAOYSA-N 296.313 3.576 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCC#Cc1ccc(F)cc1 481172488 IQHNSSZXAMCDLF-WBVHZDCISA-N 259.368 3.736 30 20 CHED C=CCN(C(=O)C1CC(c2ccc(F)cc2)C1)C(C)C 814111390 FJOSJYMQBGJLCT-UHFFFAOYSA-N 275.367 3.742 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1cc(N)ccc1F 814873076 MNAWOHWIGTXLDL-UHFFFAOYSA-N 291.757 3.575 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=NNC3CCOCC3)c2c1 811644575 BHENIYVQMUNXPT-UHFFFAOYSA-N 299.418 3.568 30 20 CHED C=C(C)CN1CCN(C(=O)OC(C)(C)C)c2ccccc21 810052160 NPVZNNREPKECLR-UHFFFAOYSA-N 288.391 3.824 30 20 CHED CCCc1cccc(C=NN[C@H](C)c2ccncc2)c1 819815720 CLGUGODCNFWDBO-CQSZACIVSA-N 267.376 3.719 30 20 CHED C=CCn1c(SCC(CC)CC)nnc1C1CC1 657229060 ATMGQHRFNOXLCZ-UHFFFAOYSA-N 265.426 3.870 30 20 CHED Cc1cc(CN2CC[C@H](c3ccccc3F)C2)ccc1C#N 579380504 QNCBUCKPJDUCFF-KRWDZBQOSA-N 294.373 3.995 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1SCCc2ccccc21 488869537 RADKYMJRNCOKJZ-HOCLYGCPSA-N 287.428 3.584 30 20 CHED C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1 489492011 PSCXCTYJZBTVMN-OAHLLOKOSA-N 292.810 3.709 30 20 CHED CCc1ccc(C(C)(C)CNCc2cc(C#N)n(C)c2)cc1 480387663 KZQBFHIYOVZQEN-UHFFFAOYSA-N 295.430 3.527 30 20 CHED C=C(C)C[C@@H](C)c1nc(Cc2nc(C)c(C)s2)no1 578917094 LOWVSZBHJFNHMA-SECBINFHSA-N 277.393 3.803 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)Oc1ccc(C#N)cc1 483922807 ZMDXPTUYBRACCZ-LBPRGKRZSA-N 282.299 3.915 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)CC(C)(C)C 576265910 GJUXEHQWOZXOIH-UHFFFAOYSA-N 263.429 3.888 30 20 CHED C#CC[C@@H](NC(=O)CC(C)(C)C1CC1)c1ccccc1 815876832 QHKCWNPARWUMNO-MRXNPFEDSA-N 269.388 3.694 30 20 CHED CC(C)C(C)(C)NC(=O)N[C@H](CCC#N)c1ccccc1 571147374 PQLVWRSXGBJITN-OAHLLOKOSA-N 287.407 3.765 30 20 CHED N#Cc1cc(N[C@H](c2cccc(F)c2)C2CCCC2)ncn1 578954922 MGLCECMLMYJLSJ-KRWDZBQOSA-N 296.349 3.831 30 20 CHED C=C[C@H](CC)CC(=O)NCc1cnccc1C(C)(C)C 822656567 BJOARUQTSRUZPI-CYBMUJFWSA-N 274.408 3.598 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC[C@H](OC)C(CC)CC 495259174 JUCKPEQLIBOOSO-HOTGVXAUSA-N 296.455 3.578 30 20 CHED C=C(C)[C@H](NC(=O)OCCCF)c1ccc(F)c(F)c1 495943258 QYTUBPLFBSDDTI-ZDUSSCGKSA-N 287.281 3.668 30 20 CHED CN(CCOCc1ccc(C#N)cc1)CCC1CCCC1 588978981 JGVBQRLHEFIQJK-UHFFFAOYSA-N 286.419 3.587 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](C)[C@H]1CC 583173094 VJKLCVNULRQCRY-GOEBONIOSA-N 296.418 3.756 30 20 CHED Cc1ccnc(N[C@H]2CCCN(C)c3ccccc32)c1C#N 581291576 KTGBOTPGCVCBKM-INIZCTEOSA-N 292.386 3.645 30 20 CHED C=CC[S@](=O)Cc1csc(-c2ccc(CC)cc2)n1 905170062 WREFUUFGMHUJSE-IBGZPJMESA-N 291.441 3.807 30 20 CHED C=CCN(Cc1cn(C)nc1-c1ccc(F)cc1)C(C)C 823408586 NCLINDFODOUEAB-UHFFFAOYSA-N 287.382 3.623 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccc(Cl)cc2F)no1 904723932 IGUXLFGGZHUXOP-LBPRGKRZSA-N 295.745 3.885 30 20 CHED CCn1cccc1CNc1ccc(OC(C)C)c(C#N)c1 824126269 VKORCEIKKHFRRI-UHFFFAOYSA-N 283.375 3.779 30 20 CHED C=CCCC[C@H](N)c1nc(-c2cc(F)ccc2C)no1 904551054 KUEPYJDOPGQDOE-ZDUSSCGKSA-N 275.327 3.540 30 20 CHED Cc1ccncc1/C=C\C(=O)Nc1ccc(Cl)c(C#N)c1 492539057 UQEAGNLMOSBXEM-DJWKRKHSSA-N 297.745 3.567 30 20 CHED C=C[C@H](CC)Cc1nc(-c2ccccc2COC)no1 903985644 XXRXKLNVMKFCQA-GFCCVEGCSA-N 272.348 3.638 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NN[C@@H](C)C(F)(F)F 834997309 BLDJNXWOXHDHPF-LPEHRKFASA-N 250.308 3.729 30 20 CHED COc1ccc([C@@H](C)C(C)=NOC(C)C)cc1OC 835002787 OIUZMFUDLYKEEW-NSHDSACASA-N 265.353 3.608 30 20 CHED Cc1cccc(CC(=NNc2cc(C)nc(C)n2)C2CC2)c1 736429929 JOPRINKKLFZPAJ-UHFFFAOYSA-N 294.402 3.822 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@H]2c2ccc(OC)cc2)n1 664875683 ISGWVKXMBSMPSD-LSDHHAIUSA-N 284.359 3.858 30 20 CHED COc1ccc(C)cc1CN[C@@H]1CCc2ccc(C#N)cc21 589341850 ARFDANVGCXOHIV-GOSISDBHSA-N 292.382 3.652 30 20 CHED CCC(=NNc1oc(C)nc1C#N)c1ccc(Cl)s1 733203583 QXJBMZXFTQJPLE-UHFFFAOYSA-N 294.767 3.796 30 20 CHED CCn1nccc1/C=C1/CSc2cc(C)c(C)cc2C1=O 588523535 DVUBBSLSQRJVEF-LCYFTJDESA-N 298.411 3.892 30 20 CHED Cn1ncc(Cl)c1/C=C\C(=O)c1coc2ccccc12 588535044 KPQBVHBZIBXDDT-SREVYHEPSA-N 286.718 3.716 30 20 CHED CC(CC(C)(C)C#N)=NNc1c(F)cc(F)cc1F 901320915 KZFZXOSUJRKXFW-UHFFFAOYSA-N 269.270 3.832 30 20 CHED O=C(/C=C\c1ccc(SC(F)F)cc1)c1cnccn1 588419215 IEESIHRGEORKKE-UTCJRWHESA-N 292.310 3.687 30 20 CHED N#Cc1ccnc(CSCCCCC2CCOCC2)c1 901786802 DXIOQUDIYVUUFR-UHFFFAOYSA-N 290.432 3.783 30 20 CHED CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc(C#N)c1 902889228 FBIZCFLJPWNJLO-SWLSCSKDSA-N 253.349 3.688 30 20 CHED C#CCC[C@@H](C)OC(=O)CCC(=O)c1cc(C)ccc1C 839035152 WJKHISHFJYRTDL-OAHLLOKOSA-N 286.371 3.611 30 20 CHED CCCCNN=Cc1cc(C(F)(F)F)ccc1F 733203347 FGJLREWDAGMYQB-UHFFFAOYSA-N 262.250 3.568 30 20 CHED CC(=O)c1cc(NCCCC(C)(C)C#N)ccc1C 582555853 GKLVBBSJRIMNJF-UHFFFAOYSA-N 258.365 3.940 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 837593101 TZOQIAGNVKJEBX-CTYIDZIISA-N 289.806 3.752 30 20 CHED C=CCC(C)(C)COC(=O)c1sc(COCC)nc1C 835463241 RCKKKKPUBDQWHQ-UHFFFAOYSA-N 297.420 3.747 30 20 CHED CC(C)CO[C@H]1CC(=NNc2ccccc2)C1(C)C 737413598 HJFSEYSHLHWRKE-HNNXBMFYSA-N 260.381 3.926 30 20 CHED N#Cc1cccc(CN(CCc2ccccc2)C2CC2)c1 917177436 NCIZJDMLLVVNMO-UHFFFAOYSA-N 276.383 3.765 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2)s1 832928931 YXSLNNFVBDBHTP-CMDGGOBGSA-N 272.325 3.651 30 20 CHED C=CCCSCCNC(=O)C(C)(C)Cc1ccccc1 597967669 DGODFYVZBXSNSR-UHFFFAOYSA-N 291.460 3.681 30 20 CHED C=CCC1(C(=O)Oc2cccc(COC)c2)CCCC1 835154531 AHULXJFNOSYVRL-UHFFFAOYSA-N 274.360 3.875 30 20 CHED C=CCC1(NC(=O)CCc2csc(C)n2)CCCCC1 836957091 PBEYOJJCRYVUSE-UHFFFAOYSA-N 292.448 3.779 30 20 CHED CC(C)=CCOc1cccc(C(=O)N(C2CC2)[C@H](C)C#N)c1 598129345 UIVCVCXLCDTIOQ-CQSZACIVSA-N 298.386 3.548 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(CC#N)c1 598461461 IEUGIZXYFIDMCC-XJKSGUPXSA-N 270.376 3.546 30 20 CHED N#Cc1cc(NC(=O)N2CCCCCCCC2)ccc1F 836371151 FYAMAKXCIIRSIJ-UHFFFAOYSA-N 289.354 3.885 30 20 CHED CC(C)CC(=NNc1ncncc1F)c1ccc(F)cc1 844597920 MEVHWNZECJFXTP-UHFFFAOYSA-N 290.317 3.617 30 20 CHED CCCCCCCCCNC(=O)NCc1cccc(F)n1 748033529 XWSWSOLENOGOTK-UHFFFAOYSA-N 295.402 3.771 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](c1ccccc1)C1CCCC1 845633072 HHQWQDKFOJERPB-BBRMVZONSA-N 288.391 3.723 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)OCC1(CC#N)CC1 744277447 LQXMPFWCNRXHEV-AWEZNQCLSA-N 263.381 3.830 30 20 CHED Oc1cccc2c1CCC2=NNc1cc(F)c(F)c(F)c1 747641583 AFHNBTXAQYRWKJ-UHFFFAOYSA-N 292.260 3.572 30 20 CHED Fc1ccc(CNN=Cc2cccc(Cl)c2)cc1F 915977294 XRYLQCLTQATPQQ-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 593176412 GSYNSFDEOXHTMM-AHEZYBDSSA-N 294.398 3.680 30 20 CHED CCS[C@H](C)c1noc(CC2(C#N)CCCCC2)n1 596595913 ISJNEGFXUIBTBC-LLVKDONJSA-N 279.409 3.900 30 20 CHED C/C(=C\C(=O)N[C@]1(C#N)CCC[C@H](C)C1)C(C)(C)C 742684844 SZLAYTKDICIQPO-DSZKDISBSA-N 262.397 3.567 30 20 CHED CCCCCCCOC(=O)c1cn(C)nc1C(C)C 919401489 RGLXBFPJQWAKCE-UHFFFAOYSA-N 266.385 3.671 30 20 CHED CC(C)[C@H](C/N=C\c1ccc(O)c(O)c1O)c1ccccc1 915113088 NJJTWKZOPJMCJG-HNIBHBHRSA-N 299.370 3.662 30 20 CHED N#CCCCCCc1nc([C@@H]2CSc3ccccc32)no1 590778581 OBKKPETUGGIDPZ-CYBMUJFWSA-N 299.399 3.934 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1cc(F)ccc1F 744208807 KLWOJDMKVGXHFA-UHFFFAOYSA-N 289.300 3.739 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)NCCc2ccc(C#N)cc2)CC1 597891724 GLOIUUHGCISUBL-IYARVYRRSA-N 298.430 3.679 30 20 CHED COc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1F 748677654 QELGYSLNDWJRKJ-LLVKDONJSA-N 299.301 3.624 30 20 CHED COc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)c(F)c1 844547470 DNVPUOJMKDQWBU-ALCCZGGFSA-N 288.322 3.508 30 20 CHED CCC(C)=NNc1c(F)cc(F)cc1Br 741772689 ZQFLMXILWWQZMX-UHFFFAOYSA-N 277.112 3.925 30 20 CHED CCN(CCO)N=C(Cc1cccc(Cl)c1)CC(C)C 842534674 CRQIAJDNWGXMAM-UHFFFAOYSA-N 296.842 3.599 30 20 CHED N#C[C@H](C(=O)CC1CC(F)(F)C1)c1nc(C2CC2)cs1 842941643 CBPAJCQKEPYXHZ-SNVBAGLBSA-N 296.342 3.632 30 20 CHED C[C@H](OC(=O)[C@H]1CC12CCCC2)c1cccc(C#N)c1 747479207 PHBJDFAORBGRCK-SWLSCSKDSA-N 269.344 3.743 30 20 CHED CCC(=NNc1ccnc(Br)c1)[C@@H]1C[C@H]1C 841631890 MPKYXGMRCIGJJB-PSASIEDQSA-N 282.185 3.678 30 20 CHED CSc1ccc(COC(=O)c2cc(C#N)cs2)cc1 752592813 QIAGXJKFKWUJPZ-UHFFFAOYSA-N 289.381 3.699 30 20 CHED N#Cc1cccc(N[C@@H]2CC3(CCC3)Oc3ccccc32)n1 757785747 FGXVZJBPEGQVAY-OAHLLOKOSA-N 291.354 3.812 30 20 CHED C=C[C@H](OC(=O)c1noc2c1CCCC2)c1ccccc1 851453268 PPLVMAXTNPQYHN-AWEZNQCLSA-N 283.327 3.638 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cccc2c1ccn2C 851210119 RMJPSWNNVQBEET-GFCCVEGCSA-N 284.359 3.663 30 20 CHED CC[C@H](C)C=NNc1nc(C(F)(F)F)cs1 755770595 LPADEEOXSJKUAK-LURJTMIESA-N 251.277 3.606 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccccc1OCC1CC1 925108288 IQQYAFNQMZLDAQ-CQSZACIVSA-N 286.419 3.893 30 20 CHED C=CCCSCCN[C@H](C)c1c(CC)noc1C 850503769 MQACOFUOYPBBAN-LLVKDONJSA-N 268.426 3.505 30 20 CHED CC(C)(C=NNc1ccc(F)cc1F)CCC#N 755463995 JFJHRVCMBHHGOX-UHFFFAOYSA-N 251.280 3.692 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCCCCC(C)=O)C1 855438669 MQKRCEJHTAPVOJ-MRXNPFEDSA-N 279.424 3.731 30 20 CHED C#C[C@H](CC)NC(=O)c1cc(C2CC2)nc2ccc(C)cc12 754375282 XLBWYWWETZREHK-CQSZACIVSA-N 292.382 3.562 30 20 CHED C#CC[C@H](N[C@H](C)c1nc(C)cs1)c1ccccc1 858383648 ZTFVDSWIXDGXOT-HIFRSBDPSA-N 270.401 3.867 30 20 CHED N#Cc1ccc(NC(=O)C(F)=C2CCCC2)c(Cl)c1 753501581 KBWWHWGRUJFPRV-UHFFFAOYSA-N 278.714 3.948 30 20 CHED CC(C)(C)C=NNc1ccc(Cl)cc1[N+](=O)[O-] 755651083 QPBNNWPCGUAVAA-UHFFFAOYSA-N 255.705 3.692 30 20 CHED Cc1ccc(C#N)nc1N1CCC(c2cccc(F)c2)CC1 853409528 DGZCDOFHGVKNBH-UHFFFAOYSA-N 295.361 3.785 30 20 CHED CC(C)(C)OC(=O)N[C@H]1CCC(=NOC2CCCCC2)C1 863108204 IPIRNVWAEMGTBZ-LBPRGKRZSA-N 296.411 3.769 30 20 CHED CSc1ccc(/C=C\C(=O)OCCC(C)(C)C#N)s1 860290187 PWUWVRZFBOJDBH-XQRVVYSFSA-N 295.429 3.966 30 20 CHED N#Cc1ccc(NN=C2CC[C@H]2c2ccccc2)cc1 769780675 JJSKKHPXSHOAAE-INIZCTEOSA-N 261.328 3.904 30 20 CHED C=C[C@@H](CC)CC(=O)NCCc1c(C)[nH]c2ccccc12 931618135 SAUXNAICVLBYRN-AWEZNQCLSA-N 284.403 3.737 30 20 CHED C=CCCCCCN(C)C(=O)/C=C/c1ccc(O)cc1 764158437 FMHVWFGRQHYELJ-JLHYYAGUSA-N 273.376 3.610 30 20 CHED C#CCCCCc1nc([C@@H](C)c2cccc(OC)c2)no1 761823859 LTELKGXQHCIYPC-ZDUSSCGKSA-N 284.359 3.576 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(C2CCCCC2)cc1 767231579 FJFNRLUMNBFZBR-AWEZNQCLSA-N 269.388 3.828 30 20 CHED C#CCCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1 766901048 JKXKCWRKHKHDJB-UHFFFAOYSA-N 284.378 3.900 30 20 CHED C#CCCc1noc(-c2cc3cc(C)c(C)cc3o2)n1 762000186 ZUVIVGTXUFPYCS-UHFFFAOYSA-N 266.300 3.665 30 20 CHED C#CCCN1CC=C(c2c(C)[nH]c3ccccc23)CC1 760864311 ZRLYGBLRMPYFFH-UHFFFAOYSA-N 264.372 3.589 30 20 CHED Clc1cc(Cl)c2c(c1)CCC2=NNc1cccnn1 764689709 GPJSXLCEORFLCW-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C=C(C)CCOC(=O)c1cc(C)c2ccccc2n1 1117286975 CMWFBQLYYHOINV-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc(Br)cn1 866567627 SAIHJEXKVQRLOK-QWRGUYRKSA-N 283.213 3.534 30 20 CHED CCCCCCCCOCC(=O)Nc1scnc1C 760954426 BLPFQOJCDSFTPC-UHFFFAOYSA-N 284.425 3.767 30 20 CHED CSc1ccccc1C(C)=NNc1nc(C)cc(C)n1 1116909284 SKVHLCUQFUVCMG-UHFFFAOYSA-N 286.404 3.651 30 20 CHED CC(=O)[C@](C#N)(CCN1CCC[C@@H](C)[C@@H]1C)c1ccccc1 878129521 KJUDRQHIKMUKLO-JTDSTZFVSA-N 298.430 3.547 30 20 CHED C=C(Cl)CN[C@@H](c1ccccc1)c1nccs1 775632342 LZJGFJJWFQASEC-LBPRGKRZSA-N 264.781 3.575 30 20 CHED C=CCC[C@H](NC(=O)c1cccc(OC)n1)c1ccccc1 772170368 UMRMQIAITZLCHK-HNNXBMFYSA-N 296.370 3.528 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ccc(Cl)nn1 773189204 XGMPWTWENJJLPI-MNOVXSKESA-N 264.760 3.520 30 20 CHED C=CCN(C)Cn1nc(-c2ccc(C)cc2C)oc1=S 777544368 HTILYVUFVKTCOX-UHFFFAOYSA-N 289.404 3.565 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)c(OC)c(F)c1 878354235 GTQTZRAVOYLHHI-UHFFFAOYSA-N 269.291 3.514 30 20 CHED CC[C@H](OC(=O)c1c[nH]c(C#N)c1)c1ccc(Cl)cc1 779198483 ZTUCLHLNPFCDIW-AWEZNQCLSA-N 288.734 3.848 30 20 CHED CCOCCON=C(C)c1ccc(SC(C)C)cc1 774415404 PZGYFJUCAWFXTO-UHFFFAOYSA-N 281.421 3.964 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1c(F)cccc1F 876951033 ZDFOWYXWZSUFRT-GHMZBOCLSA-N 252.308 3.555 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Cc2ccccc2CC#N)CC1 776927497 DKBNVPWLGZYZLK-MRXNPFEDSA-N 298.430 3.580 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1F 1123330146 KXMNXZAYKDRKLK-ZDUSSCGKSA-N 287.338 3.660 30 20 CHED C=CCC[C@@H](OC(=O)[C@H]1CCOC2(CCC2)C1)C1CC1 1122736641 AFSUNPKGBRIVCJ-LSDHHAIUSA-N 278.392 3.624 30 20 CHED CCOCCON=C(C)c1sc(C(C)(C)C)nc1C 774415351 PJEIVRWDIBGHIB-UHFFFAOYSA-N 284.425 3.526 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 1123582334 IDMHXXYFELJSRG-ZDUSSCGKSA-N 263.356 3.947 30 20 CHED CC1(C)CCCN(C(=O)Nc2cc(C#N)ccc2F)CC1 888359761 NYIUWCXXMYUASW-UHFFFAOYSA-N 289.354 3.741 30 20 CHED CC[C@@H](C#N)OC(=O)c1nc(C)sc1-c1ccccc1 781205410 JTYPXCBTJPNBQG-LBPRGKRZSA-N 286.356 3.578 30 20 CHED C[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 784677351 SQGXYMUSYVTLQB-CYBMUJFWSA-N 259.349 3.663 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NN1Cc2ccccc2C1=O 781598668 KQCKXWIPJSAULO-XJKSGUPXSA-N 268.360 3.621 30 20 CHED COc1cccc(NC(=S)NN=C2CCC(C)(C)C2)c1 783800110 UTMDFOKKHOKGSQ-UHFFFAOYSA-N 291.420 3.548 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cncs2)cc1 787171196 ISNCSCSPJIUHQA-YVMONPNESA-N 273.357 3.828 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 783823504 FTUGTMUNTMIHDH-GFCCVEGCSA-N 273.163 3.960 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2cccc3cc[nH]c23)c1 786028427 VURHPCVBWOSZAO-UNOMPAQXSA-N 294.354 3.891 30 20 CHED C/C(C=NNC1CCCCC1)=C/c1cccc([N+](=O)[O-])c1 787161804 GPLSQXQUHLCHGS-KXQNNSSXSA-N 287.363 3.906 30 20 CHED FC(F)SCc1ccc(C=NNC2CCCCC2)o1 786043064 GMUSSVQPJWQIQQ-UHFFFAOYSA-N 288.363 3.992 30 20 CHED C#CCC1(C(=O)N[C@H]2CCC[C@@H](SC)C2)CCCCC1 788223358 COHSBEJROUULIM-LSDHHAIUSA-N 293.476 3.751 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCC2CCC(F)(F)CC2)C1 898031907 QVVQNEYSZYUXCT-ZIAGYGMSSA-N 270.367 3.874 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccccc2C#N)CC1 785614422 TXRRHUDZVMAENH-PKQLUBGUSA-N 282.387 3.656 30 20 CHED CC1(C)Cc2cccc(N=Cc3ccccc3O)c2O1 788674364 IEONADJUOGLWIF-UHFFFAOYSA-N 267.328 3.856 30 20 CHED C=C[C@@H]1CCCCN1C(=S)N[C@@H](C)Cc1ccccc1 782408812 ODQPKJUDLZISHK-GOEBONIOSA-N 288.460 3.533 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(-n2cccn2)cc1C 786640124 XUTFQOCVAOAQKC-GOSISDBHSA-N 298.386 3.826 30 20 CHED C=CCCCCCOC(=O)[C@H](C)Nc1nc(C)cs1 784544493 LUMCYHDRKXAHAK-LBPRGKRZSA-N 282.409 3.542 30 20 CHED C[C@H]1CCCC(=NNc2ccc(C(F)(F)F)nn2)[C@@H]1C 781128810 VOKALKMUAZRWBP-DTWKUNHWSA-N 286.301 3.719 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCCCC(C)C)c1 783638449 PSFCGZNBRQPDMC-MRXNPFEDSA-N 274.408 3.893 30 20 CHED CSc1ccccc1COC(=O)C#Cc1ccccc1 781220862 KMEOAERIVXKQCZ-UHFFFAOYSA-N 282.364 3.503 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H](C)c1cccc(C#N)c1 784873373 JFYNAPNWEIEBMC-MLGOLLRUSA-N 257.333 3.765 30 20 CHED CC[C@H](Nc1cc(C#N)ccn1)c1cc(F)ccc1OC 895877654 CUYJAWCHLDXVOZ-AWEZNQCLSA-N 285.322 3.664 30 20 CHED N#Cc1nccc2c(Br)cc(Cl)cc12 82766700 IDCMUTDZSYDHBB-UHFFFAOYSA-N 267.513 3.522 30 20 CHED CCOc1ccc(C=NOC2CCCC2)cc1F 782266955 GOYRFRHYGIHLJS-UHFFFAOYSA-N 251.301 3.518 30 20 CHED C#CCCCCC(=O)OCc1cccc(C(F)F)c1 791765503 JOIMPJRCQCMENM-UHFFFAOYSA-N 266.287 3.861 30 20 CHED C=C1CC(c2noc(-c3cnc([C@@H](C)OCC)s3)n2)C1 896881763 FWXMXDCPMRELRD-SECBINFHSA-N 291.376 3.724 30 20 CHED CC(C)c1ccc([S@](=O)CCC(C)(C)C#N)cc1 87611210 XLEHVALLBCPZOI-SFHVURJKSA-N 263.406 3.857 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CCO[C@@H](c2ccccn2)C1 894100977 MKNTZZVMCYKYAQ-CRAIPNDOSA-N 293.370 3.594 30 20 CHED CC(Cc1ccccc1C)=NNc1ncccc1F 794994739 ZEXDBNYOJXVOAR-UHFFFAOYSA-N 257.312 3.560 30 20 CHED CC(=NNc1nncc2ccccc12)c1coc(C(C)C)n1 799466828 RNTWZOOPFIQVOD-UHFFFAOYSA-N 295.346 3.577 30 20 CHED C=CC[C@@H](CC)NC(=S)N[C@@H](C)c1cccs1 798374891 ANMWDHDNVIQVLG-WDEREUQCSA-N 268.451 3.628 30 20 CHED Oc1cccc(/C=N\[C@H]2C[C@H](c3ccccc3F)C2)c1O 797785100 SZVDQAVKXWWXAY-MYIOUOFZSA-N 285.318 3.602 30 20 CHED C=CCCCN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 749506231 VOZJJLRBSYAFAB-IAGOWNOFSA-N 277.383 3.680 30 20 CHED CC[C@@H](C)CCNc1nc(C)c(C#N)cc1Cl 710222437 MPLFMZVCEKEAGQ-SECBINFHSA-N 251.761 3.763 30 20 CHED CSCCON=C[C@@H](c1ccccc1)C(C)C 794572886 KKFJVLILKAYNPK-CQSZACIVSA-N 251.395 3.792 30 20 CHED COc1ccc(C#N)cc1NC1CCC(F)(F)CC1 592504628 AMFVFMAYDHEMIA-UHFFFAOYSA-N 266.291 3.557 30 20 CHED C=CCc1cc(CN[C@H]2CCC2(C)C)cc(OC)c1OC 793530659 FHQSYOJXNFKDLC-INIZCTEOSA-N 289.419 3.711 30 20 CHED CC1(CNN=Cc2nccc3ccccc23)CCCC1 793089198 FZXQZQJBXBZEKN-UHFFFAOYSA-N 267.376 3.739 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cccc(OC(C)C)c1 798374099 CUXDMEMENJOBCX-HNNXBMFYSA-N 290.407 3.628 30 20 CHED CSCCON=Cc1cnc(-c2cccs2)s1 794577545 WIIBJBRKWGSCJM-UHFFFAOYSA-N 284.431 3.585 30 20 CHED CC(C)[C@H]1CCCC(=NNCCC(F)(F)F)C1 794544794 FRBWAJIIEZGAIK-JTQLQIEISA-N 250.308 3.731 30 20 CHED C=CC[C@H](NCc1cc(C)nc(Cl)c1)c1ccncc1 797600340 QPRCSRHYBMGZKF-HNNXBMFYSA-N 287.794 3.845 30 20 CHED COc1cc(/C=C/C(=O)c2cc(C)c(C)o2)cc(OC)c1 799898467 ZTFYZSGBDHPSTE-AATRIKPKSA-N 286.327 3.810 30 20 CHED COc1ccc(Cl)cc1C(C)=NNCCC(F)(F)F 794548277 RMKAHWVEYRXYRP-UHFFFAOYSA-N 294.704 3.615 30 20 CHED CSCCON=Cc1cc2cccc(C)c2nc1Cl 794571983 ITHKOYATDWSZCE-UHFFFAOYSA-N 294.807 3.910 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccccc1CC#N 1141533693 SXYCERJGPLSGEX-GDBMZVCRSA-N 284.403 3.699 30 20 CHED Cc1nsc(NCC[C@H](C)c2ccccc2)c1C#N 92912433 HYTXOJWZPLTJBD-NSHDSACASA-N 271.389 3.929 30 20 CHED C#CCOc1ccccc1CNCc1ccc(Cl)cc1 20209928 XVUHXMOYKZYTRT-UHFFFAOYSA-N 285.774 3.642 30 20 CHED C=CCCOCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 1317989117 DWPIPLZNPTYSRW-OAHLLOKOSA-N 293.794 3.596 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 1312841688 RSLDWQHJVLBYPJ-UONOGXRCSA-N 293.455 3.830 30 20 CHED Cc1nsc(N[C@@H]2C[C@H]2C2CCCCC2)c1C#N 1612050948 QWCYRBFOWAFWHH-WCQYABFASA-N 261.394 3.704 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(Oc2ccccc2)cn1 1326622207 FKVZQJOYCKTABY-CABCVRRESA-N 298.386 3.726 30 20 CHED C=C(C)CCOC(=O)c1cnn(C2CCCCC2)c1 1325926670 XQKGAGDVAKQCPN-UHFFFAOYSA-N 262.353 3.511 30 20 CHED N#Cc1cccnc1Sc1ncc(-c2ccccc2)o1 1323543049 XJLYAQUIIOWDJP-UHFFFAOYSA-N 279.324 3.759 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cccc(C#N)c2)cc1 1622820362 NIOSGHPMOQMWLK-UHFFFAOYSA-N 265.316 3.535 30 20 CHED C=C(CNC1CC(C#N)(c2ccccc2)C1)c1ccccc1 1321623236 WYDSEYSHPGLDCC-UHFFFAOYSA-N 288.394 3.913 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(F)cc1C(F)(F)F 1329175688 ZNOYJQQGQNFRKX-KOLCDFICSA-N 291.288 3.696 30 20 CHED Cc1ccccc1-c1nnc(-c2cccc(CC#N)c2)o1 1326394102 MSWBWEDKUCLMHI-UHFFFAOYSA-N 275.311 3.778 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(c3nc4ccccc4o3)CC2)C1 1254653263 KWUIPPCSHNNOCO-HIFRSBDPSA-N 295.386 3.699 30 20 CHED N#Cc1cnc(Sc2ccc3[nH]ncc3c2)c(Cl)c1 1186680688 GLZXEEMHILPOJH-UHFFFAOYSA-N 286.747 3.634 30 20 CHED C=C(C)CCC(=O)N1CCC(C)(c2ccccc2)CC1 1337149495 YTVMYLYVKDXENN-UHFFFAOYSA-N 271.404 3.923 30 20 CHED C=C(C)CCC(=O)N[C@@H](CC)c1cc(F)ccc1OC 1336088474 SRQNKXQKNWDLJJ-AWEZNQCLSA-N 279.355 3.758 30 20 CHED CC(C)N(C)c1ccccc1NC(=O)c1csc(C#N)c1 1331987090 CCSGGDFZQAARKD-UHFFFAOYSA-N 299.399 3.717 30 20 CHED N#CCCNc1nc(-c2ccccc2)nc2ccccc12 1256076666 WZIAMAAROBMGEB-UHFFFAOYSA-N 274.327 3.622 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1ccc(F)cc1)C(C)C 1337715815 HMHLZVCIYMIIMI-HNNXBMFYSA-N 278.371 3.883 30 20 CHED C=C(C)CCOC(=O)c1oc(C2CC2)nc1C(F)F 1342695391 PPEYLAAMQWRMGU-UHFFFAOYSA-N 271.263 3.613 30 20 CHED CCCCCC[C@H](CC)C(=O)[C@H](C#N)c1nccn1C 1342269314 USZPLGGGFLZRTB-KBPBESRZSA-N 275.396 3.593 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC 1262655784 YTPVEMDQESDLSP-BHYGNILZSA-N 299.414 3.756 30 20 CHED N#C[C@H](OC(=O)c1ccc(CF)cc1)C1CCCCC1 1343395749 XCESOBBTOTWMQT-HNNXBMFYSA-N 275.323 3.785 30 20 CHED Cc1ccccc1[C@H](C)C(=O)O[C@@H](CC#N)c1ccco1 1263660632 LGBLQBALBHQMDI-BBRMVZONSA-N 283.327 3.890 30 20 CHED CCN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)[C@@H](C)C#N 1261755477 GGIPJLVTVUYMCS-UQTJOTSZSA-N 284.403 3.758 30 20 CHED CCN(C(=O)c1cocc1C)c1ccc(C#N)c(Cl)c1 1266274459 QFDIRXKKZMADSQ-UHFFFAOYSA-N 288.734 3.780 30 20 CHED COc1ccccc1C1(NC[C@H](C)CCC#N)CCC1 1349613282 ZLIZAJXFPYANIX-CQSZACIVSA-N 272.392 3.604 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C/c1nccs1 1354428226 VNHBQJLBRDOAOZ-CMDGGOBGSA-N 290.432 3.751 30 20 CHED COc1ccc(COc2ccc(C#N)c(Cl)c2)cc1F 220990797 YDIRKDGQKQDOCS-UHFFFAOYSA-N 291.709 3.938 30 20 CHED COc1ccc(CCOc2ccc(C#N)c(Cl)c2)cc1 220995151 XWCYJJKZOLIFJK-UHFFFAOYSA-N 287.746 3.842 30 20 CHED CCCC[C@H](CC)C(=O)O[C@@H](CC#N)c1ccco1 1526991559 CUYDJVIMZIJRBW-JSGCOSHPSA-N 263.337 3.994 30 20 CHED CCN(CCC#N)Cc1c(C)ccc(Br)c1F 1462043808 IULXTIJQDJGVBO-UHFFFAOYSA-N 299.187 3.632 30 20 CHED CCC[C@H](CC)C(=O)Nc1cc(C#N)cn1C(C)(C)C 1534571984 YUPGXVLKDRPRJD-ZDUSSCGKSA-N 275.396 3.880 30 20 CHED CC(C)CC1(CNC(=O)Nc2sccc2C#N)CCC1 1476828855 GSDRSTAHMYNGOT-UHFFFAOYSA-N 291.420 3.958 30 20 CHED CCC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1F 1531133441 VAAFZRRAVMSRMM-UHFFFAOYSA-N 296.301 3.542 30 20 CHED Cc1nn(C)c(Cl)c1CSc1cccc(F)c1C#N 1613821526 OCVIQXQYRTYYDT-UHFFFAOYSA-N 295.770 3.685 30 20 CHED CCC1(CC)[C@@H](Nc2cccc(OCC#N)c2)C[C@H]1OC 1474430809 QLOZSPFJIMJHTE-JKSUJKDBSA-N 288.391 3.595 30 20 CHED CCC[C@H]1[C@H](C)CCCN1CCOc1cccc(C#N)c1 1615989146 XLKOTGIVXIOZSY-QAPCUYQASA-N 286.419 3.838 30 20 CHED CCC(CC)CNc1nc(C(F)(F)F)ccc1C#N 227116324 KZNURPCWKWFRAT-UHFFFAOYSA-N 271.286 3.820 30 20 CHED N#Cc1ccc(CCSc2nc3ncccc3s2)cc1 1473072647 AGWBUVFUJFGWPR-UHFFFAOYSA-N 297.408 3.898 30 20 CHED Cc1ccnc(N(CC(C)C)CC(C)(C)C)c1C#N 1472739338 XIIJBQQCLMWGAI-UHFFFAOYSA-N 259.397 3.770 30 20 CHED C[C@H]1CN(CC2(CC#N)CC2)CC[C@H]1c1ccccc1 1559565709 QLXRKWNOPYPLMN-DOTOQJQBSA-N 268.404 3.806 30 20 CHED C=C[C@@H](C)N[C@@H]1CCc2sc(Br)cc21 307639584 FUVXBDUKAAAXFM-VXNVDRBHSA-N 272.211 3.662 30 20 CHED CCc1c(Cl)ncnc1N[C@H](C)c1ccc(C#N)cc1 229253854 BJHNNNFYWXBIAL-SNVBAGLBSA-N 286.766 3.737 30 20 CHED CCCC[C@H](NC[C@H](O)c1cccc(C#N)c1)C1CCC1 1645234693 NPGLRSNQGWQPMR-ROUUACIJSA-N 286.419 3.540 30 20 CHED CNc1ccc(C(=O)Nc2cc(C)cc(C#N)c2)c(Cl)c1 1642592239 CGDSGIBEINKNDP-UHFFFAOYSA-N 299.761 3.814 30 20 CHED C=C[C@H](N[C@@H](CCc1ccccc1)c1ccccc1)C(=O)O 1588692797 KAVLIRHDSNPHNO-ROUUACIJSA-N 295.382 3.589 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)Nc1sccc1C#N 1678968894 OEMASFLUIOHTQI-HZMBPMFUSA-N 277.393 3.710 30 20 CHED O=C(O)Cc1ccc(NN=C[C@@H]2C[C@@H]2c2ccccc2)cc1 1776084668 HRDAKVRRTZHNSE-DOTOQJQBSA-N 294.354 3.515 30 20 CHED C=CCCCN(CC)[C@H](C(=O)O)c1ccc(F)cc1C 1776174076 OLSKWXQKQUZSQQ-HNNXBMFYSA-N 279.355 3.548 30 20 CHED C[C@@H]1CCCCCC1=NNc1ccc(C(=O)O)cc1 1776012278 MXACKSINIWVCEM-LLVKDONJSA-N 260.337 3.753 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(CCC[C@H](C)CCC)C1 1776160697 VLUBVMDVEHDVFO-GDBMZVCRSA-N 267.413 3.556 30 20 CHED N#Cc1ccc(Cl)cc1NCc1cn2ccsc2n1 134438448 HDSJBOFKQNAGKX-UHFFFAOYSA-N 288.763 3.533 30 20 CHED N#Cc1ccccc1COc1ccc(Br)cc1 11834143 VTRSBVPEVYBAHU-UHFFFAOYSA-N 288.144 3.900 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1 162878044 SULLNEOEQKPBNU-MRXNPFEDSA-N 270.376 3.599 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H](C)c1ccsc1 158879570 SURFLRSKTFJGES-CYBMUJFWSA-N 278.421 3.640 30 20 CHED CCCCN(CC)Cc1ccc(O[C@H](C)C#N)cc1 158974045 VKOWGBLVOMXAHM-CQSZACIVSA-N 260.381 3.599 30 20 CHED COCc1ccc(SCC(=O)c2cccc(C#N)c2)cc1 160942185 SSKGXDMYJDWDAJ-UHFFFAOYSA-N 297.379 3.680 30 20 CHED C=C(C)CNC(=O)CCc1ccc(Cl)c(Cl)c1 160946698 BDLPHLDCECJTAL-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SCCCF 151667970 RMCGWBAWNHQOQN-UHFFFAOYSA-N 291.395 3.507 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccnc(Cl)c2)C1 852410025 GFJORTLHOOOEJW-GFCCVEGCSA-N 250.773 3.523 30 20 CHED CCC(CC)(CC)C(=O)Nc1ccc(OCC#N)cc1 1319203149 BZCYJVWVROGRNO-UHFFFAOYSA-N 274.364 3.744 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H]1CCCC[C@@H]1C 130441521 RVCCQGRJUGFOMU-BBRMVZONSA-N 272.392 3.577 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1cccc(F)c1 20126549 RJGUBVJHSCLENP-GFCCVEGCSA-N 270.307 3.901 30 20 CHED CC[C@H](C)[C@H](C(=O)N(C)[C@H](C)CC#N)c1ccccc1 251769899 IHDSVOAJHPNREU-LZWOXQAQSA-N 272.392 3.577 30 20 CHED Cc1cccc([C@H](C)NCc2cc(C#N)ccc2F)c1 157335183 CTMFYKKVASUAAV-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C[C@H](CNCc1cc(C#N)ccc1F)c1ccccc1 158001559 HMDJIUUNYTXVLK-CYBMUJFWSA-N 268.335 3.591 30 20 CHED Cc1nc(C)c([C@@H](C)NCc2cc(C#N)ccc2F)s1 40518824 CHEYVTBHDBUGSI-SECBINFHSA-N 289.379 3.622 30 20 CHED CCCCN(CCCOc1ccc(C#N)cc1)C1CC1 48335236 WXTOPLSXACALDX-UHFFFAOYSA-N 272.392 3.592 30 20 CHED N#Cc1cc(NCc2cccc(C(F)(F)F)c2)ccn1 60537887 ZFUPKYYUIUCPCK-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cnn(Cc2ccccc2)c1 467412520 IRTTYCQQELIKBS-MAUKXSAKSA-N 283.419 3.937 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)NC1(C#N)CCCCC1 192578357 MCYUUWLDSJJEGF-CYBMUJFWSA-N 262.397 3.545 30 20 CHED CCCC[C@H](CC)CNc1cc(C#N)nc(CC)n1 308386532 UZORBKCUQGQPIW-LBPRGKRZSA-N 260.385 3.539 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)CC(C)(C)C#N 405107364 HTROUIXEXFJCEC-NSHDSACASA-N 250.773 3.883 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 347036368 LWJSFGVMBGXVID-UONOGXRCSA-N 298.411 3.998 30 20 CHED C=C[C@@H]1CCCCN1c1ccc(C#N)cc1Br 486477381 HRIKNDYPDUHTCT-GFCCVEGCSA-N 291.192 3.866 30 20 CHED N#CCc1ccc(COc2cccc(F)c2F)cc1 398967900 SNHBLORDSSAEOL-UHFFFAOYSA-N 259.255 3.610 30 20 CHED COc1cccc(/C=C2\Cc3ccc(C)cc3C2=O)c1OC 108145397 SKIJRPRMRCWSLH-RVDMUPIBSA-N 294.350 3.835 30 20 CHED Cc1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 107831509 CCRDJLWMNQPKSD-UHFFFAOYSA-N 281.315 3.695 30 20 CHED C=C(Cl)CSc1n[nH]c(/C=C/c2ccc(C)o2)n1 23231304 DXKMWFKLDIGNLA-AATRIKPKSA-N 281.768 3.721 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(OC)c2ccccc12 116854369 UMXJMPNUPCBMRK-GFCCVEGCSA-N 269.344 3.543 30 20 CHED C[C@@H]1Cc2ccccc2N(C(=O)C2(C#N)CCCCC2)C1 105378200 UMQVMJCJIGMRBX-CQSZACIVSA-N 282.387 3.686 30 20 CHED Cc1[nH]ccc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 176358801 PWOAFLHDAPQCIF-NSHDSACASA-N 299.399 3.970 30 20 CHED CC(C)(C)Oc1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc1 179892115 GKFZPYGUOCEPSS-IUODEOHRSA-N 287.359 3.713 30 20 CHED CC(C)CCCNC(=O)N[C@@H](CCC#N)c1ccccc1 178766642 RVGDBHFFTRAPLN-INIZCTEOSA-N 287.407 3.767 30 20 CHED COc1cc(C)ccc1N[C@H](C#N)C1CCCCC1 172032613 ISLVTNOARODNOF-OAHLLOKOSA-N 258.365 3.888 30 20 CHED Cc1ccc(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 106420692 WUFWKTGTLBTFBI-INIZCTEOSA-N 298.773 3.572 30 20 CHED CCSCC(=O)Nc1ccccc1S[C@H](C)CC#N 108412995 AQBSBVANXZQPHC-LLVKDONJSA-N 294.445 3.772 30 20 CHED N#Cc1ccc(CNCC2(c3ccc(F)cc3)CCCC2)o1 174274201 VJRGGRZWSYQTQP-UHFFFAOYSA-N 298.361 3.892 30 20 CHED CSC[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 134832292 DEMLSGBBUXZHAB-MRVPVSSYSA-N 274.311 3.740 30 20 CHED N#Cc1cccc(NC(=O)C[C@H]2CCc3ccccc32)c1 115203049 UWFJGUATBROWAR-OAHLLOKOSA-N 276.339 3.617 30 20 CHED CC[C@H](CC(=O)OCC1(CC#N)CC1)c1ccccc1 174738054 OUPXTJSXIOPCOJ-CQSZACIVSA-N 271.360 3.807 30 20 CHED CC[C@H](C#N)NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 171005505 CJOMZJOFQFBNFH-AORWBKJGSA-N 296.292 3.527 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@@H]1C1CC1 177275518 IKNXBSKWANRKLD-CHWSQXEVSA-N 286.400 3.677 30 20 CHED CC(C)(C)c1nc(CC/N=C/c2ccccc2O)cs1 119532705 DGTGBDDPEJUNAA-LICLKQGHSA-N 288.416 3.808 30 20 CHED CN(Cc1ccc(Cl)s1)c1ccc(Cl)c(C#N)n1 301165149 HPEYIRPAEBHARI-UHFFFAOYSA-N 298.198 3.958 30 20 CHED C#Cc1cccc(NC(=O)c2cccc(OC(F)F)c2)c1 29474090 NZXQUQUDAAVIRF-UHFFFAOYSA-N 287.265 3.522 30 20 CHED Cc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)o2)cc1 61727122 AZROTXDBWCIPTP-GFCCVEGCSA-N 298.371 3.581 30 20 CHED C[C@@H]1SCCN(CCCCC#N)[C@@H]1c1ccccc1 118423011 QVKZAMWDTYYYHF-HOCLYGCPSA-N 274.433 3.859 30 20 CHED CC(C)OCCCC/N=C(/N)Nc1cccc(C(C)C)c1 305801048 DEQRYDOBILYKTK-UHFFFAOYSA-N 291.439 3.742 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(C#N)cc1 176906281 ZRCRNZOHRNLUKG-SJORKVTESA-N 284.403 3.528 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(OCCC)c1 117000002 FQXYVRRQPQOSTC-LBPRGKRZSA-N 262.353 3.562 30 20 CHED N#Cc1ccc(Cl)cc1OCc1cc(Cl)ccn1 310852797 AWPUDXHQQKYIKZ-UHFFFAOYSA-N 279.126 3.839 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 408405755 KKDNMTFJDZTYFF-HZSPNIEDSA-N 286.375 3.548 30 20 CHED CCCCCCCCOCC(=O)Nc1cccnc1C 175207108 DWBPEYWRMGLIQO-UHFFFAOYSA-N 278.396 3.706 30 20 CHED Cc1ccc(C[C@@H](C)Nc2nnc(C)c(C)c2C#N)c(C)c1 301213999 WUNPMXIXDRRWTB-CYBMUJFWSA-N 294.402 3.625 30 20 CHED CCN(CC)C(=S)S[C@@H](C)c1ccc(C#N)cc1 118171726 DQACSEGTJUFCSW-NSHDSACASA-N 278.446 3.979 30 20 CHED C=C(CC)C(=O)Nc1cc(Cl)ccc1O[C@H](C)COC 1349551227 XQWWZFZGRRGXMA-LLVKDONJSA-N 297.782 3.658 30 20 CHED Cc1cnc([C@@H](Nc2ccc(C#N)cc2)C2CC2)s1 301445969 JUQTZOMVDZVQIT-AWEZNQCLSA-N 269.373 3.886 30 20 CHED CCCC[C@@H](CC)CC(=O)[C@H](C#N)c1ncc(Cl)n1C 1347338558 SCFUKTYEMGPTQX-NEPJUHHUSA-N 295.814 3.856 30 20 CHED CC(C)C[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 301984999 SSVRKLGLZBWABV-HNNXBMFYSA-N 279.387 3.979 30 20 CHED CC[C@@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 172181022 WIYOTXVCHPSZGN-BOLDSZDNSA-N 282.387 3.610 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)C(C)C 171929836 KJOHJLWCKCXCHJ-GFCCVEGCSA-N 274.364 3.576 30 20 CHED Cc1[nH]c2ccccc2c1C1=CCN(CCCC#N)CC1 174595770 YVWHFYIUFPQQED-UHFFFAOYSA-N 279.387 3.869 30 20 CHED CSC1(CNc2c(Cl)cccc2C#N)CCC1 302845250 GCUKVNKDRIGBFQ-UHFFFAOYSA-N 266.797 3.909 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)c2ccc(Cl)c(C#N)n2)C1 301608147 ZVRLIPZBNVANSI-GHMZBOCLSA-N 295.839 3.717 30 20 CHED CC(C)CCN(c1snc(Cl)c1C#N)C1CC1 301921066 FOGRVLBLNUZUBO-UHFFFAOYSA-N 269.801 3.683 30 20 CHED CCOc1ccc(Nc2cc(C#N)ccc2[N+](=O)[O-])cc1 302231482 YROFUHKPOUHNRN-UHFFFAOYSA-N 283.287 3.609 30 20 CHED CN(CC1(c2ccccc2)CC1)c1ccc(Cl)c(C#N)n1 302523891 JMRMKZCCDLDKCN-UHFFFAOYSA-N 297.789 3.775 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)c1 121161732 DQDKCJHBTLPCDD-ZIAGYGMSSA-N 286.375 3.515 30 20 CHED CC(=O)c1c(C)cc(C)c(CN(C)[C@@H](C)CC#N)c1C 129670765 ACMKYXXXXBFOIW-ZDUSSCGKSA-N 272.392 3.548 30 20 CHED C=CCC[C@H](O)CN(C)Cc1csc2ccccc12 122953437 CYCAIEWAOGUGEJ-AWEZNQCLSA-N 275.417 3.660 30 20 CHED CCN(CCCSCC#N)[C@@H](C)c1ccc(F)cc1 74982137 SCYWZCKRSWQUFP-ZDUSSCGKSA-N 280.412 3.855 30 20 CHED C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(C#N)cc1 128936982 RRDWQKBYRZNFDP-BXUZGUMPSA-N 272.373 3.544 30 20 CHED CCCCc1ccc(N(C)C(=O)c2c[nH]c(C#N)c2)cc1 182283724 LLJJEPBWWHTFAT-UHFFFAOYSA-N 281.359 3.506 30 20 CHED C=C(C)CN(CC)[C@@H](C)c1nnc(-c2cccs2)o1 127972260 HFOALVIFWABHFY-NSHDSACASA-N 277.393 3.757 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O 124590946 SRPVLFDDNOSZKJ-ZACQAIPSSA-N 295.467 3.889 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C[C@H]2C=CCC2)CC1 187278422 JQIXJIOKFSQMNC-SYJJWHGVSA-N 288.435 3.958 30 20 CHED N#Cc1cccc(NC2CCN(c3ccccc3)CC2)c1 181342710 UZLNXXOAHRPUAU-UHFFFAOYSA-N 277.371 3.639 30 20 CHED C=CC1CCN(Cc2ncc(C(C)C)s2)CC1 183067875 LHIKFMLHPAJCBB-UHFFFAOYSA-N 250.411 3.665 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C#N)s2)cnn1C(C)C 188883102 BJPXVJPPDVNFEE-VOTSOKGWSA-N 285.372 3.602 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(C#N)c1 128933647 JPWJPKBQIQXNNI-ZDUSSCGKSA-N 286.375 3.625 30 20 CHED COC[C@@H](C#N)Nc1ccc(SC(C)(C)C)cc1C 181331363 FOQTUPAQJGCVNJ-GFCCVEGCSA-N 278.421 3.836 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)Nc1ccccc1C#N 36173224 IHVUHECZBMDKFO-LBPRGKRZSA-N 282.318 3.515 30 20 CHED CC(C)C1CCN(c2snc(Cl)c2C#N)CC1 78424293 LZWNBQCVCDWPGM-UHFFFAOYSA-N 269.801 3.541 30 20 CHED C=CCC(CC=C)C(=O)NC12CC3CC(CC(C3)C1)C2 120812348 CXRPGXZUJFJGQS-UHFFFAOYSA-N 273.420 3.840 30 20 CHED CC#CCCCC(=O)Nc1ncc(Cc2ccccc2)s1 185002387 QGATURQSZXKWSR-UHFFFAOYSA-N 298.411 3.866 30 20 CHED C=CCCCCCN(C)Cc1ccc(C#N)cc1OC 501208097 XPVXTFNOEGXNDB-UHFFFAOYSA-N 272.392 3.745 30 20 CHED C=CC[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 185995328 OPGWHNHBXLGTGF-GOSISDBHSA-N 295.382 3.671 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc(C2CC2)cs1 125997245 GPENDWBMGOCFSH-UHFFFAOYSA-N 262.378 3.727 30 20 CHED N#Cc1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1F 76881106 MWUJYRYRJVERKJ-UHFFFAOYSA-N 297.264 3.570 30 20 CHED C=CCC(C)(C)CN[C@@H](C)Cc1ccc(OC)c(OC)c1 314847140 ZNHGXRNFCIRXHA-AWEZNQCLSA-N 291.435 3.827 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(C2CCC2)c1 410015731 MPMILPWJRDBSNR-MSOLQXFVSA-N 299.414 3.665 30 20 CHED C=CC1CCN(C(=O)N[C@@H](CC)c2ccccc2)CC1 413653114 KCVDNLNMNUHTKK-INIZCTEOSA-N 272.392 3.745 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 509344399 MZMXOULBPRYHRG-HIFRSBDPSA-N 292.382 3.789 30 20 CHED CCC(CC)c1cc(C(=O)Nc2ccc(CC#N)cc2)on1 131594787 SYZMMLAWUPQLDE-UHFFFAOYSA-N 297.358 3.897 30 20 CHED Cc1ccnn1-c1ccccc1NCC(C)(C)CCC#N 183223382 SMSJDMXOVQFFHU-UHFFFAOYSA-N 282.391 3.923 30 20 CHED CC(=O)Nc1cccc(NCc2ccc(Cl)cc2C#N)c1 187711265 LXIJYBTUQDRIAP-UHFFFAOYSA-N 299.761 3.782 30 20 CHED N#CC1(CSCc2csc(C3CC3)n2)CCC1 419439872 QPAZFVLTHAZCPN-UHFFFAOYSA-N 264.419 3.948 30 20 CHED C=C(C)[C@@H](NCc1nccs1)c1ccc(F)c(F)c1 187369210 KUNUYLQMOXOSQV-CQSZACIVSA-N 280.343 3.828 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCC[C@@H]2C[C@H]12 413444312 BJPYTBPXDXCXAW-MIMYLULJSA-N 281.281 3.573 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccccc1Cl 42120003 CJFZSHNNHMVYAB-LBPRGKRZSA-N 281.783 3.532 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc(Cl)ccc1Cl 42530344 MBKQPGSREIIWKB-UHFFFAOYSA-N 285.174 3.758 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1Br 416075522 FQTSSFQYVQXMBI-SECBINFHSA-N 295.180 3.551 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 612235460 AOACGEKKVFJQHT-AWEZNQCLSA-N 297.185 3.759 30 20 CHED C=CC[C@@H](CC)NS(=O)(=O)c1csc2ccccc12 509720572 RWAANNALWJUWBY-LLVKDONJSA-N 295.429 3.534 30 20 CHED Cc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1C(F)(F)F 86281581 ZMAYVUSVYMMMTH-SNVBAGLBSA-N 299.296 3.780 30 20 CHED CCOc1ccc(Nc2c(C#N)nnc3ccccc23)cc1 41529653 DSDKPVCAZSIHBJ-UHFFFAOYSA-N 290.326 3.644 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cccnc2OC2CCCC2)C1 192664093 UAKJZHBUWHWNDX-HOCLYGCPSA-N 299.418 3.575 30 20 CHED C[C@H](OC(=O)c1ccccc1OCC#N)c1ccccc1F 194394141 MKVHDSLJKLJLBC-LBPRGKRZSA-N 299.301 3.646 30 20 CHED C=CCCCCCN(C)Cn1nccc1-c1ccncc1 131385018 QMIRPPZLUMURAM-UHFFFAOYSA-N 284.407 3.581 30 20 CHED Cc1ccoc1CN[C@@H](CCC#N)c1ccccc1 130490941 CQRHRRGLSPETDE-HNNXBMFYSA-N 254.333 3.723 30 20 CHED CC[C@@H]1C[C@H](/C(O)=N/[C@@H]2CC23CCCCC3)CC(O)=N1 329754945 LCTZWUKCTOUCDY-YNEHKIRRSA-N 278.396 3.811 30 20 CHED N#Cc1cc2c(nc1SCCc1cccnc1)CCCC2 134309304 GQRLRVGKSTZNME-UHFFFAOYSA-N 295.411 3.562 30 20 CHED C[C@@H](CC(=O)NCc1cccc(C#N)c1)C1CCCCC1 510774415 ROVURAFOKPNIKF-AWEZNQCLSA-N 284.403 3.781 30 20 CHED CCCCCSc1nnc(CC)c(CC)c1C#N 223567363 QHJVLSLRORZENR-UHFFFAOYSA-N 263.410 3.755 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1ccccc1Cl 87591706 LPIUOZCQCWPFIQ-NSHDSACASA-N 250.773 3.930 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)c(OC)c(F)c1 190859562 SCHIXMJKJGIFDA-CQSZACIVSA-N 269.291 3.514 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CC2(C)CCCCC2)C1 511851532 IDQPODOWEXZQPW-RHSMWYFYSA-N 276.424 3.936 30 20 CHED N#CCC[C@H](C#N)COc1c(F)cc(Cl)cc1Cl 424145153 YQCCEZJKLMPUMJ-MRVPVSSYSA-N 287.121 3.955 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(N(CC)CCC)cc1 519490991 CJXVOFDSBZJHQM-UHFFFAOYSA-N 288.435 3.961 30 20 CHED CO[C@H](C)CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 195341474 GCTMQAPMZRWXPR-CYBMUJFWSA-N 295.338 3.556 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)ccc1Cl 232213828 KYPCWCASCYUGMY-ZDUSSCGKSA-N 250.729 3.527 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)C1 331745529 CQSPLGDEJJEYMV-QWRGUYRKSA-N 288.416 3.873 30 20 CHED Cc1cc2c(Oc3ccc(C#N)cc3F)ncnc2s1 90113250 IVNFZHWJJOFFEG-UHFFFAOYSA-N 285.303 3.803 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 424575086 VNGNAVVTVUXXGN-HEHGZKQESA-N 270.376 3.562 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)C1 335105996 ANXVTFFAIIJIAJ-NSHDSACASA-N 276.405 3.518 30 20 CHED C=CCCc1csc(-c2cccc(OC)c2OC)n1 90065489 OJCPSCUBRIPWDL-UHFFFAOYSA-N 275.373 3.946 30 20 CHED Cc1csc(NC(=O)[C@H](C)c2ccccc2F)c1C#N 335135197 DMGPOOLEHAXULD-SNVBAGLBSA-N 288.347 3.810 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 434484221 YAPKTLVXNNEKME-LSDHHAIUSA-N 264.413 3.563 30 20 CHED C=C1CCN(C(=O)c2ccncc2Oc2ccccc2)CC1 336287945 MUCDPRAEVQCXLX-UHFFFAOYSA-N 294.354 3.666 30 20 CHED Cc1nc(CC(C)C)c(/C(O)=N/[C@@H]2CCC[C@@H]2C#N)s1 331316254 FQIIUYCESSJBJY-VXGBXAGGSA-N 291.420 3.647 30 20 CHED C=CCCCCCN(C)S(=O)(=O)c1ccc(C)cc1F 523520098 IXUIPNSZLDXOFX-UHFFFAOYSA-N 299.411 3.501 30 20 CHED O=C(/C=C\c1c(Cl)nc2ccccn12)c1ccc(O)cc1 97992945 ARVKRVHUCMKUKV-HJWRWDBZSA-N 298.729 3.589 30 20 CHED CCO[C@H](CC(=O)Nc1ccc(C#N)cc1Cl)C(C)C 430370586 UIVKQYOGYCUVEM-CQSZACIVSA-N 294.782 3.601 30 20 CHED Cc1ccccc1CN(c1nccc(C)c1C#N)C1CC1 343505351 DRXKCMZYGFQQSE-UHFFFAOYSA-N 277.371 3.739 30 20 CHED C[C@@H]1CC[C@H](C(=O)N[C@H](CCC#N)c2ccccc2)C1 345244533 FFXJTWJPWLRBEN-VNQPRFMTSA-N 270.376 3.584 30 20 CHED C=CCN(Cc1ccn(-c2ccc(Cl)cc2)n1)C1CC1 343535182 OQXXWIXXTMHJNW-UHFFFAOYSA-N 287.794 3.676 30 20 CHED C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)[C@H]1C1CC1 528912495 IUIITOCXWWMRAM-NDMCHQMPSA-N 296.395 3.765 30 20 CHED Cn1c(CCSc2ccccc2C#N)nc2ccccc21 439700839 ZGAJLCQAMVNPDH-UHFFFAOYSA-N 293.395 3.780 30 20 CHED C[C@H](CCC#N)CNCC1(N2CCCCC2)CCCCC1 602510224 RIVLNCCXESXDQR-QGZVFWFLSA-N 291.483 3.705 30 20 CHED C[C@H]1c2ccsc2CCN1c1c(C#N)cccc1C#N 436263329 GRNZGTLEIYUYGH-NSHDSACASA-N 279.368 3.615 30 20 CHED CC(C)(NC(=O)CCc1ccc(C#N)cc1)c1cccs1 609726796 WVWVWVOPFRHVDX-UHFFFAOYSA-N 298.411 3.604 30 20 CHED CC(C)CCCN[C@H]1CCCc2cc(C#N)ccc21 341759014 SORQIRBEZIGVMM-KRWDZBQOSA-N 256.393 3.961 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(F)c(F)c(F)c1 620861776 ZFJYFZYIPFCVKF-UHFFFAOYSA-N 271.282 3.579 30 20 CHED C[C@@H](C#N)C(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 344097743 VMPZNFBMWJMGFI-WDEREUQCSA-N 276.767 3.552 30 20 CHED C=CCC[C@H](NC(=O)c1c(CC)noc1C)c1ccccc1 435303227 VTEHYEZPZPLEFG-INIZCTEOSA-N 298.386 3.983 30 20 CHED CCCN(CC#N)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 608959328 YZEOSLOIYSGJEB-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED C=CC[C@H](C)NC(=O)NCC(C)(C)c1ccccc1Cl 604898272 MSNSPBQLDHPCIQ-LBPRGKRZSA-N 294.826 3.881 30 20 CHED CC1(F)CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 602899029 ONFDNCHANRQNRJ-UHFFFAOYSA-N 295.745 3.568 30 20 CHED CS[C@H](C)CCC(=O)N(CC#N)c1ccc(F)cc1C 602387403 RCWKBMJZIPYSFP-GFCCVEGCSA-N 294.395 3.522 30 20 CHED N#CCC1(CN2CCC(c3ccc(F)c(F)c3)CC2)CC1 602773495 VBQVLSMIVSBHNB-UHFFFAOYSA-N 290.357 3.838 30 20 CHED N#Cc1nccnc1N[C@H]1CC=C(c2ccc(F)cc2)CC1 349896657 WETSBVCGYCUYNQ-HNNXBMFYSA-N 294.333 3.535 30 20 CHED C=CCCOCCCCC(=O)NC1(C)CCC(C)CC1 342828889 CEKVAYOQRFOSNM-UHFFFAOYSA-N 281.440 3.834 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C1CCC=CCC1 602391593 DFAOZMKBNLSBRS-UHFFFAOYSA-N 286.350 3.737 30 20 CHED N#Cc1ccccc1CSCC/N=C\c1ccccc1O 255830696 DKAJPCUHFFKNGR-UNOMPAQXSA-N 296.395 3.616 30 20 CHED C=CCCC(=O)Nc1ccc(Cl)c2cccnc12 523228054 DWHYSMRYEOKBTG-UHFFFAOYSA-N 260.724 3.793 30 20 CHED Cc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1Br 442859780 REWOGUMJAWMMAI-DGCLKSJQSA-N 293.208 3.539 30 20 CHED CSCCc1ccc(NC[C@@H](C)CCC#N)cc1 602491669 QSPOZDUKGYYFID-ZDUSSCGKSA-N 262.422 3.944 30 20 CHED CC[C@H](N[C@@H](C)[C@H]1CCCCO1)c1ccc(C#N)cc1 447590468 CSWQTDGWNRCLMT-RRQGHBQHSA-N 272.392 3.557 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cccnc1Cl 255768294 GHQHWAPHWZGHPP-HJWRWDBZSA-N 257.720 3.940 30 20 CHED CC(C)N(C)Cc1ccccc1CNC[C@H](C)CCC#N 602591279 FYKZSAQVHHYDMO-MRXNPFEDSA-N 287.451 3.556 30 20 CHED CCOC(=O)c1ccc(/C=C2/Cc3ccc(C)cc3C2=O)o1 255126888 QDXQFNBKNKAKDG-RAXLEYEMSA-N 296.322 3.587 30 20 CHED N#CC1(F)CCN([C@H]2CCCc3ccc(F)cc32)CC1 352442719 WFDMYJYFTZIQCO-HNNXBMFYSA-N 276.330 3.531 30 20 CHED C=C(C)CCc1noc(/C=C\c2cnc(C)s2)n1 351607519 LABBFRDBQGPYHV-ALCCZGGFSA-N 261.350 3.514 30 20 CHED N#CCCCN(Cc1ccccc1Cl)CC1CC1 352242035 OPLUUBHSTRXWPF-UHFFFAOYSA-N 262.784 3.856 30 20 CHED C=CCN(Cc1cnccc1C)Cc1ccccc1F 353443538 CZCLPKJMZGJZIV-UHFFFAOYSA-N 270.351 3.717 30 20 CHED Cc1ccc(SCCC2(C#N)CCCCC2)nn1 603316648 IWLVTSRNOIEQNI-UHFFFAOYSA-N 261.394 3.741 30 20 CHED Cc1cc(OCc2cccc3c2CCOC3)ccc1C#N 600861397 OMMWKGHPUXFDEV-UHFFFAOYSA-N 279.339 3.518 30 20 CHED C=CCN(C(=O)Nc1cc(C)nn1CCCCC)C1CC1 357703113 ZAGJQPFSHHYLOX-UHFFFAOYSA-N 290.411 3.564 30 20 CHED CC[C@@H]1CCCC[C@H]1CN[C@H](C)CC1(C#N)CCOCC1 602676382 ZMRFPUGBINHKSE-ZACQAIPSSA-N 292.467 3.891 30 20 CHED C=CCC[C@@H](Nc1ccc(OC)nc1)c1ccco1 353621326 LYWIHUGIRZNQEP-CYBMUJFWSA-N 258.321 3.803 30 20 CHED C=CCOc1ccc(CC(=O)N2CCC[C@@H]2C2CCC2)cc1 448898233 IPFUYKOEBLAGKX-GOSISDBHSA-N 299.414 3.585 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1cc(C#N)ccc1F 357815561 VVQITGDZYUDEBW-CYBMUJFWSA-N 280.346 3.644 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1c1ccccc1 449888442 NQMZLKACBDQLDB-CWRNSKLLSA-N 257.377 3.651 30 20 CHED C=CCCC1(C(=O)NCCCCN2CCCC[C@@H]2C)CC1 354591716 CHTLHCCJLNLICH-INIZCTEOSA-N 292.467 3.504 30 20 CHED Cc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1F 610317237 FGTVBEXQJNVJOZ-GFCCVEGCSA-N 297.333 3.889 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(C(C)=O)c1 268883848 XHAKTZIHJYCCJC-UHFFFAOYSA-N 273.376 3.708 30 20 CHED C=C(C)CCNC(=O)C1(C(F)(F)F)CCCCC1 615826184 NDZLXXTVIOEPLH-UHFFFAOYSA-N 263.303 3.582 30 20 CHED CCCn1ncc(NCc2ccccc2C#N)c1C1CC1 449413568 HQYMGQYEPSNORS-UHFFFAOYSA-N 280.375 3.654 30 20 CHED C[C@H]1CSc2ccccc2N1CCC(C)(C)C#N 537365132 DOVADPPDHXPTRU-LBPRGKRZSA-N 260.406 3.927 30 20 CHED C=CCC[C@H](NC(=O)Cc1cnccc1C)c1ccccc1 612709625 ZYKPCLXJYBRNDK-SFHVURJKSA-N 294.398 3.756 30 20 CHED C=CCC[C@@H](NC(=O)c1ccnn1CCC)c1ccccc1 612709612 ZRFAKIFNYOINQC-MRXNPFEDSA-N 297.402 3.730 30 20 CHED C[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1cccc(C#N)c1 610356161 LDRRADTTZZYEOD-GUYCJALGSA-N 297.402 3.593 30 20 CHED N#Cc1cc(F)ccc1CNC1(c2ccc(F)cc2)CC1 533068544 MZFUDCRHHIBPRV-UHFFFAOYSA-N 284.309 3.615 30 20 CHED C[C@@H](NCC#Cc1cccc(Cl)c1)c1cccc(C#N)c1 611386216 GAGPWTJZJITPPN-CQSZACIVSA-N 294.785 3.914 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(C2(c3ccccc3)CCC2)no1 453152860 WNHYGPNKJSKNQD-CABCVRRESA-N 296.370 3.598 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(F)cc1 618668157 QXGSOUGSHCRMEZ-MRXNPFEDSA-N 295.317 3.506 30 20 CHED CC(C)COc1ccc(NCc2ccc(C#N)s2)cn1 538427696 LDLICKZFKYMKBB-UHFFFAOYSA-N 287.388 3.662 30 20 CHED C=C(CC)CNC(=O)c1ccc(C(F)(F)F)cc1C 456836952 IOIKATLCQIGDEG-UHFFFAOYSA-N 271.282 3.710 30 20 CHED COCCC1(CN[C@H]2CCCCc3cc(C#N)ccc32)CC1 360658645 ULLIJYTYLNOPDX-SFHVURJKSA-N 298.430 3.732 30 20 CHED Cc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)[C@H](C)C2 459725590 DDZACKDWBPMEPI-CZUORRHYSA-N 256.393 3.758 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCc1ccc(C)o1 612683733 NMNRPPZUWALLBG-UHFFFAOYSA-N 298.386 3.528 30 20 CHED C=CCC(CC=C)C(=O)NCCc1cn(C)c2ccccc12 618544288 WPJLHSUJZHXXTH-UHFFFAOYSA-N 296.414 3.605 30 20 CHED C=CC(C)(C)CNC(=O)Cc1c(C)oc2ccccc12 452773781 JLBWDVLQOSJWGR-UHFFFAOYSA-N 271.360 3.612 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(-c2ncco2)c1C 452264858 NQWBYWDTMZMHHW-UHFFFAOYSA-N 270.332 3.801 30 20 CHED C=C(C)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 548637631 GPAVHSHIBPEUGB-UHFFFAOYSA-N 282.387 3.743 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](CC)c1ccccc1OC 455539994 OXDVTSRBNQTQNK-HNNXBMFYSA-N 290.407 3.754 30 20 CHED C#CC[C@@H](N[C@@H](C)c1csc(C)n1)c1ccccc1 271526426 PBCROTZOKYXSFD-SWLSCSKDSA-N 270.401 3.867 30 20 CHED CC1(C)CCC[C@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1 611118668 SFEVVHITCPSHOC-HNNXBMFYSA-N 296.414 3.880 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCOCC2(CCCC2)C1 615446184 DXOXWWAAHGRZNS-OAHLLOKOSA-N 284.403 3.512 30 20 CHED C=CCC1(CN[C@@H](c2nccn2C)C2CC2)CCCC1 453392168 ZINUKBGGTSKWSF-OAHLLOKOSA-N 273.424 3.597 30 20 CHED C=CCC[C@H](NCCc1cccc(F)c1F)C1CC1 540177687 IUJMVYCDWQNDBE-HNNXBMFYSA-N 265.347 3.842 30 20 CHED C=CC[C@@H](C(=O)N[C@H]1CCOC2(CCC2)C1)c1ccccc1 275073033 VPNKECUDKRWJHG-DLBZAZTESA-N 299.414 3.564 30 20 CHED N#CCc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 270367820 MDIGSTFUYAVSHF-UHFFFAOYSA-N 290.366 3.809 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CCC(F)(F)F 279413850 KDLBQPVJARKFPC-UHFFFAOYSA-N 285.309 3.934 30 20 CHED C=C(C)CCNC(=O)N1CC2(CCCC2)[C@@H]1C(C)C 459008704 UNMKXBBGJLYEDX-AWEZNQCLSA-N 264.413 3.563 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2N(C)CC1(C#N)CCC1 450303215 MNZQDDQSDNAWJV-KRWDZBQOSA-N 284.403 3.698 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1cccc(OC)c1 455315406 TUWKFYCLLCCPAA-INIZCTEOSA-N 288.391 3.508 30 20 CHED N#Cc1ccc(C(=O)NC2(c3ccccc3)CC2)cc1Cl 548283215 PUNJNPCIPJLMGX-UHFFFAOYSA-N 296.757 3.631 30 20 CHED CC#CCCCC(=O)NC[C@H]1CCC[C@H]1c1ccccc1 452399856 RIAXKZBYGPWJBK-MSOLQXFVSA-N 283.415 3.880 30 20 CHED CN(C(=O)C(C)(C)Cc1ccc(C#N)cc1)C1CCCCC1 454449811 HCNJFRMOYMIOHM-UHFFFAOYSA-N 298.430 3.918 30 20 CHED C=CCC[C@@H](O)CN[C@H](CC)c1ccc(Cl)s1 541627568 QFASUXZNOMMHQB-GHMZBOCLSA-N 273.829 3.769 30 20 CHED C[C@H](CC(=O)N(C)C[C@@H](C)C#N)Cc1ccc(Cl)cc1 271353174 WLLNZYNQONAZMU-STQMWFEESA-N 292.810 3.527 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCc4ccc(F)cc43)CC2)c1 272326830 XFAKRYZHSJUVQJ-SFHVURJKSA-N 292.357 3.964 30 20 CHED CC#CCCCC(=O)NC[C@@]1(C)CCCc2ccccc21 466645760 ZFXJLOOGHWZEME-LJQANCHMSA-N 283.415 3.590 30 20 CHED CCC[C@@H](CC)Nc1cc(C#N)ccc1OCCOC 541559252 YXLSUWHLTORKAU-CQSZACIVSA-N 276.380 3.574 30 20 CHED C=C(Cl)CN[C@H](C)c1sc(-c2cccnc2)nc1C 271469690 IRCQNACWLFYZPL-SNVBAGLBSA-N 293.823 3.917 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1C1CCCC1 466324757 JCIRAFQOWJWHOT-HUUCEWRRSA-N 264.413 3.705 30 20 CHED N#Cc1cccc(C2(NCCCCC3CCOCC3)CC2)c1 281978701 LSUOJLNNBDWKPI-UHFFFAOYSA-N 298.430 3.734 30 20 CHED CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(C(C)(C)C#N)cc1 281440196 CKZUYYCCUOGVQW-CJNGLKHVSA-N 284.403 3.748 30 20 CHED C=CCN(C(=O)Nc1cccc(F)c1Cl)C1CC1 287821210 UAAYXBBDYVIISR-UHFFFAOYSA-N 268.719 3.661 30 20 CHED CO[C@@H](CON=C1CCC1)c1ccc(Cl)cc1 282335568 VNOAARZAMZEWEF-ZDUSSCGKSA-N 253.729 3.584 30 20 CHED CCN(CCCC1(C#N)CCOCC1)c1ccccc1F 282043782 REAIPRASEJCBSH-UHFFFAOYSA-N 290.382 3.753 30 20 CHED Cc1ccc(CN(C)C)cc1N[C@H]1CCC[C@@H](C#N)C1 463298261 VKESBRNBVPZDND-ZBFHGGJFSA-N 271.408 3.551 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cccc(C(F)(F)F)c1 284818607 ADEJWQPWOIHPPF-GFCCVEGCSA-N 271.238 3.551 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(Cl)c(C)c1 467908257 AYVHTYVUMUBVRM-HNNXBMFYSA-N 265.784 3.867 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 285814469 QWUISBNFEGQKHL-RHSMWYFYSA-N 287.359 3.772 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1cc(Cl)cc(Cl)c1 285100921 UBRMXIDWKAXZIQ-LBPRGKRZSA-N 272.131 3.839 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cccc([N+](=O)[O-])c1C 467404995 OJWKLWILLMOWRC-QWHCGFSZSA-N 262.353 3.909 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(F)cc2C)no1 559950013 ARNWXNFFNDCKJX-UHFFFAOYSA-N 268.238 3.852 30 20 CHED CC#CCCCC(=O)NC[C@@H]1CCCCC(F)(F)C1 552655216 OGYQDYNKDJMSLS-CYBMUJFWSA-N 271.351 3.512 30 20 CHED CC#CCCN(CC)Cc1ccccc1Br 462310085 FOWJJQJXVOJCBS-UHFFFAOYSA-N 280.209 3.684 30 20 CHED C=CC[C@H](CC)NC(=O)N(CCC)Cc1ccc(C#N)cc1 281436533 RVWRPXBPRDZGBT-KRWDZBQOSA-N 299.418 3.835 30 20 CHED C=CCC(F)(F)c1nc(CCCc2ccsc2)no1 556308783 RWDWHFPOGMTGMB-UHFFFAOYSA-N 284.331 3.974 30 20 CHED C=CCC[C@@H](NCC1CC(F)(F)C1)c1ccco1 293778003 TULIZQVHVRCNGQ-GFCCVEGCSA-N 255.308 3.922 30 20 CHED C#C[C@H](Nc1nc(C)cc(C)n1)c1ccc(Cl)cc1F 804807455 GMEKVBFLYCDONU-AWEZNQCLSA-N 289.741 3.672 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1c(F)cccc1Cl 807963402 ALLXAVXAKZYMCW-UHFFFAOYSA-N 292.745 3.722 30 20 CHED C[C@H](C#N)OCCSCc1cccc(F)c1Cl 802752236 ORAQGNJVGAANRB-SECBINFHSA-N 273.760 3.641 30 20 CHED N#Cc1ccccc1/C=C\C(=O)NC(C1CCC1)C1CCC1 804730165 YMPONNSBBVAGJS-QXMHVHEDSA-N 294.398 3.656 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2c2cc(C#N)ccn2)c1 557627476 LWJOYRWWTFAECI-KRWDZBQOSA-N 277.371 3.912 30 20 CHED Cc1ccc(C#N)cc1NCCCCOC(C)(C)C 473663998 TVXAWFBBKVKSET-UHFFFAOYSA-N 260.381 3.874 30 20 CHED C#Cc1cncc(C(=O)NC(C2CCCC2)C2CCCC2)c1 806882383 UIGRYLDGNGINRK-UHFFFAOYSA-N 296.414 3.542 30 20 CHED C[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc(C#N)cc1 295771409 AGXOLZNSWYLPTQ-LRDDRELGSA-N 278.355 3.602 30 20 CHED CCOc1cccc(/C=N\[C@@H]2c3ccccc3O[C@@H]2C)c1O 809143112 MCUDQAMLYBUTAC-RNSKRUMRSA-N 297.354 3.732 30 20 CHED CCC/C(C)=C/C(=O)NCc1ccc(C#N)c(Cl)c1 801072398 QFFRCNJEIUZVTR-YRNVUSSQSA-N 276.767 3.574 30 20 CHED Cc1cc(C(=O)/C=C/c2ccnn2C(C)C)cs1 296092715 ZKGPEXMZUPOJQB-SNAWJCMRSA-N 260.362 3.730 30 20 CHED N#Cc1ccnc(N[C@@H]2CC3(CCC3)Oc3ccccc32)c1 804546498 ORHJENNZUPMQRE-OAHLLOKOSA-N 291.354 3.812 30 20 CHED COc1c(F)cc(F)cc1N[C@@H](C#N)C1CCCCC1 471384894 QESFGYWVUSQNTI-AWEZNQCLSA-N 280.318 3.858 30 20 CHED C#Cc1ccc(CNC[C@H](SC)C(C)(C)C)cc1 809639551 WWDYEOBUXILIBK-HNNXBMFYSA-N 261.434 3.535 30 20 CHED C=CCOCCCOc1ccc(Br)c(C)c1 478805248 LLQUAAJOSJLWLS-UHFFFAOYSA-N 285.181 3.729 30 20 CHED C=C(C)CN(CC)Cc1cc2cc(Cl)cnc2o1 648347810 ZRDAZPRLPWLSGP-UHFFFAOYSA-N 264.756 3.879 30 20 CHED COc1cccc(CSc2nc(Cl)c(C#N)s2)c1 804397580 ZDENPXWHMWRTKG-UHFFFAOYSA-N 296.804 3.969 30 20 CHED C#C[C@H](N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C 809782328 PDZGNSUGCXCRRB-NEWSRXKRSA-N 298.474 3.535 30 20 CHED CC#CCN(C)C(=O)c1sc2cc(C)ccc2c1Cl 647540568 JGSXGCZAEQPHTB-UHFFFAOYSA-N 291.803 3.958 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1cc(Cl)ccc1OC 294384387 LBXZJWGWSZVLOZ-UHFFFAOYSA-N 281.783 3.519 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H]2C[C@@H]21 807022451 GRTRRNRNESJGRV-KGLIPLIRSA-N 252.402 3.541 30 20 CHED C[C@H](NC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C)c1ccc(C#N)cc1 477767828 QGDNJWCOBJVFHB-QDEZUTFSSA-N 299.418 3.743 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(F)ccc1Cl 566835112 XTTDCKOIDCRGSH-SNVBAGLBSA-N 270.735 3.955 30 20 CHED CC#CCN(C)C(=O)c1ccc(-c2ccc(F)cc2)cc1F 564064527 QXSXWWJBCSOWAO-UHFFFAOYSA-N 299.320 3.727 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2ccccc2nc1C 488865940 FFLZFPIRBUIMPA-OAHLLOKOSA-N 280.371 3.724 30 20 CHED CCCCCCCCNC(=O)[C@H]1CCCSC1 810650315 QGADLPLMODWXNC-ZDUSSCGKSA-N 257.443 3.606 30 20 CHED C=C[C@@H]1CCCCN1c1cc(C(F)F)nc(SC)n1 566485134 ZJMCJTFZJIMKDZ-SECBINFHSA-N 285.363 3.681 30 20 CHED CC#CCCNC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 483422952 YLTRFCQKXAHDIA-CQSZACIVSA-N 298.386 3.939 30 20 CHED C=CCC(F)(F)C(=O)NCc1c(Cl)cccc1Cl 814941598 NMOKEEOQIKWESG-UHFFFAOYSA-N 294.128 3.821 30 20 CHED Cl/C=C\CON=Cc1csc(-c2cccs2)n1 811669646 RRJCBGYPGBVEIB-XOYCDNFBSA-N 284.793 3.975 30 20 CHED Cc1nc(C#N)c(NN=Cc2ccc(C3CCCC3)cc2)o1 812227026 OPBNEXYIUHOMKN-UHFFFAOYSA-N 294.358 3.958 30 20 CHED CC(=NOCC(F)(F)F)c1nccc2ccccc12 811645792 XKONYLDMIQVRBB-UHFFFAOYSA-N 268.238 3.538 30 20 CHED C=C(C)CN(CC)Cc1ccnc(Cl)c1Cl 811453527 NCWGWPYQDUECQQ-UHFFFAOYSA-N 259.180 3.786 30 20 CHED CC(C)[C@@H]1CC(=NNCc2cccc3cccnc23)CS1 814803296 CQXMUMGCKXIRSO-INIZCTEOSA-N 299.443 3.842 30 20 CHED C#CCOc1cccc(-c2noc(C(C)(C)CC=C)n2)c1 813887844 POXJRZSHFSXSFT-UHFFFAOYSA-N 282.343 3.602 30 20 CHED CC(C)(C#N)CCCCSCCOC[C@@H]1CCCO1 578990381 MCTLEYYBPZTJCF-AWEZNQCLSA-N 285.453 3.635 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)Cc1ccccc1Cl 815024298 YHGIQIHMDVWFKM-JTQLQIEISA-N 287.737 3.599 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1ncc(C2CCCCC2)s1 578149658 ZNIUYKOOCFLASE-MEBBXXQBSA-N 289.404 3.679 30 20 CHED CC(C)(CCC#N)CNC(=O)/C(F)=C/C1CCCCC1 813705063 PZLVPNNJRUEIRF-KAMYIIQDSA-N 280.387 3.866 30 20 CHED Cc1oc2ccccc2c1CC(=O)OC1(CC#N)CCC1 810856284 APEWOTPOFRJOLD-UHFFFAOYSA-N 283.327 3.663 30 20 CHED C[C@@H](NN=Cc1cccc(O)c1Cl)c1ccccc1 814815485 ZORSROCGVQRGHD-LLVKDONJSA-N 274.751 3.730 30 20 CHED CCn1c(C)cc(C=NNc2ncnc3sccc23)c1C 728226341 MUOOBJCNKIMOQA-UHFFFAOYSA-N 299.403 3.576 30 20 CHED CCc1nc(C(C)C)ccc1COC(=O)[C@@](C)(C#N)CC 815244797 PLYGXNZRLFUUNO-QGZVFWFLSA-N 288.391 3.750 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc2c(c1)COC2 812243679 RKEWZLJCZBIMCZ-GQCTYLIASA-N 298.313 3.761 30 20 CHED N#C[C@@]1(C(=O)NC2CCCCCCC2)CC12CCCC2 822176810 WMUQAAZLLPIGLF-QGZVFWFLSA-N 274.408 3.690 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OCC)c(OCC)c1 652078089 DODFEXDRQIFEJP-UHFFFAOYSA-N 292.379 3.572 30 20 CHED CC1(C)CN(c2cccc(F)c2C#N)Cc2ccccc2O1 576735122 ZYNUYXWZIWSHNO-UHFFFAOYSA-N 296.345 3.875 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1c(C)cccc1OC 822975914 MXBATIRMWRFRAA-UHFFFAOYSA-N 276.380 3.870 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1cc(OC)ccc1O 728977585 ASJKYGCMKOMEAM-CYBMUJFWSA-N 293.407 3.939 30 20 CHED CN(CC(C)(C)C#N)C(=O)CCCCC(C)(C)C 497261304 LUZSLXYYEINOPY-UHFFFAOYSA-N 252.402 3.601 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nn(C(C)C)cc1Cl 829723091 MYPOAIRZRWLTTL-SNVBAGLBSA-N 269.776 3.658 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccsc2C(F)F)C1 905930686 ZFAPBNSZNFRBJR-RKDXNWHRSA-N 285.315 3.925 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCc2cccnc21 820777533 BOELWMSPJDSNAQ-CQSZACIVSA-N 261.365 3.625 30 20 CHED C=CCN(C)C(=O)C1(c2ccccc2C)CCCCC1 490972282 QNHUSZOONIZPTN-UHFFFAOYSA-N 271.404 3.841 30 20 CHED C=CCS(=O)(=O)[C@@H](C)c1ccc(C(C)(C)C)cc1 906028802 DBMVEXVDJOESRG-LBPRGKRZSA-N 266.406 3.646 30 20 CHED C#CCCCNC(=O)[C@@H](CCC)c1ccc(Cl)cc1 828995098 MNUVBWLRIFTSNS-HNNXBMFYSA-N 277.795 3.753 30 20 CHED C=CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C)C 731969486 KSUTVJVLRJKLMU-UHFFFAOYSA-N 268.360 3.718 30 20 CHED CSc1ccc(C(=O)/C=C\c2c(Cl)cnn2C)cc1 588534759 HUOVVHMBMBKJGM-FPLPWBNLSA-N 292.791 3.692 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccccc2N(C)C)C1 665456476 AABAESPDEDVNTL-AWEZNQCLSA-N 287.407 3.573 30 20 CHED CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)o1 497987716 YTOBNNURZRIZFJ-HNNXBMFYSA-N 294.354 3.769 30 20 CHED COc1cccc(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 732766514 SKAPJZHCMNVBOP-XHDPSFHLSA-N 270.332 3.858 30 20 CHED COc1cccc(C)c1/C=C\C(=O)c1cnn(C(C)C)c1 834420446 HUHPLWGGBUAUBZ-HJWRWDBZSA-N 284.359 3.677 30 20 CHED C=CCCC(C)(C)NC(=O)NCC1(CCOC)CCCC1 664429731 UOCFCOPRYDPBRA-UHFFFAOYSA-N 296.455 3.627 30 20 CHED CCOCCC1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCCC1 839050548 BRRAMQFZLFWQHL-GJZGRUSLSA-N 293.407 3.599 30 20 CHED COc1ccc([C@H](C)NCC2(C#N)CCC2)cc1Cl 903032133 QLCISYFHXKYYJK-NSHDSACASA-N 278.783 3.693 30 20 CHED C#CCN(Cc1ccccc1)C(=S)Nc1ccc(C)cc1 491072688 VCIHMSVPGGVKQL-UHFFFAOYSA-N 294.423 3.827 30 20 CHED C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1F 839055139 XNJYCMBLSPFMRC-MGPQQGTHSA-N 289.350 3.945 30 20 CHED COc1ccccc1C=NOCc1ccc(SC)cc1 836298852 KVLUJLMMDPDNHK-UHFFFAOYSA-N 287.384 3.968 30 20 CHED C=CC[C@H](NC(=O)Nc1cccc(C)c1)c1ccncc1 734515782 QPLBXQXZGXKTQZ-INIZCTEOSA-N 281.359 3.829 30 20 CHED Cc1cccc(C=NNc2oc(C(C)(C)C)nc2C#N)c1C 731153142 BXDWMXPQOCIRKJ-UHFFFAOYSA-N 296.374 3.907 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[C@H]1CC 584749843 ZHFDEOXZDDYUBJ-UONOGXRCSA-N 290.455 3.678 30 20 CHED CCCCCCCCN[C@@H](C)c1nccn1CC 834629869 QEGTYCYFEOBXAD-AWEZNQCLSA-N 251.418 3.914 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(F)n1 901468075 LQQQCMPSDVXCDP-CMDGGOBGSA-N 287.338 3.511 30 20 CHED C=C(C)C[C@@H](N[C@H](C)CCC1CCCCC1)C(=O)O 901678559 HBQRFVKRJPYKRN-UKRRQHHQSA-N 267.413 3.744 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1sccc1C 733747676 WDGBWYZYMIZLEQ-UHFFFAOYSA-N 280.343 3.849 30 20 CHED Fc1ccc(NN=C2CCSc3ccc(F)cc32)nc1 731320368 YWSPUIITCBIQCV-UHFFFAOYSA-N 291.326 3.672 30 20 CHED Cc1ccc2cccc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)c2n1 839449086 LUASWPYRUUEPOW-DZGCQCFKSA-N 294.354 3.782 30 20 CHED C=C(Cl)CN(CCc1ccc(F)cc1)C1CC1 735169878 ZQDPABXHKCGVNM-UHFFFAOYSA-N 253.748 3.585 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1sccc1Cl 908663142 RUJHHFHOKXWQQS-NSHDSACASA-N 297.807 3.541 30 20 CHED CC(C)(C)c1csc(NC(=O)CSC2CC2)c1C#N 581177129 XCYZYJMELYZHFM-UHFFFAOYSA-N 294.445 3.751 30 20 CHED C=C[C@@H](OC(=O)c1cc(C)n(C(C)C)n1)C(C)(C)C 835390803 GOMDDLLARCLPCW-CYBMUJFWSA-N 264.369 3.530 30 20 CHED Cc1cc(F)c(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1F 839056372 UEQPJSXKOOFYNE-QWRGUYRKSA-N 279.286 3.512 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ncc(F)cc1F 835022567 NJRMPASWAPIVIT-SECBINFHSA-N 255.312 3.974 30 20 CHED C=CC(C)(C)C(=O)OCc1csc(-c2ccc(C)o2)n1 837865176 OHATWMXPCKKUOP-UHFFFAOYSA-N 291.372 3.967 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C[C@@H]1CC[C@H]2C[C@H]12 838129042 HXJADRUMSDMGTL-DZKIICNBSA-N 297.398 3.967 30 20 CHED CCCCCCO[C@H](C)C(=O)Nc1cccc(CC#N)c1 839788898 QCLICRJNOZNVJL-CQSZACIVSA-N 288.391 3.677 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1scnc1C 835020025 IUSPSPDYMWCRQF-AWEZNQCLSA-N 289.379 3.592 30 20 CHED C=C(CNC(=O)CCc1ccccc1F)c1ccccc1 672482401 IYWNVNLDDBBKQG-UHFFFAOYSA-N 283.346 3.588 30 20 CHED CC(C)C[C@@H](C)OC(=O)N[C@H](C)c1cccc(C#N)c1 830751445 WVGWNBNFRPVPCK-CHWSQXEVSA-N 274.364 3.780 30 20 CHED C#CCCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 830977439 URWQLHAUQWSDMN-AWEZNQCLSA-N 251.732 3.543 30 20 CHED CC(C)n1cc(C=NNc2ccc(OC(F)F)cc2)cn1 732712257 XYNZFXXEXRFVFQ-UHFFFAOYSA-N 294.305 3.511 30 20 CHED C=CCOCC(=O)N[C@H](c1ccc(CCC)cc1)C(C)C 591122315 BHTQFCGJAKRALH-SFHVURJKSA-N 289.419 3.655 30 20 CHED Cc1cnc(-c2noc(CC3(C#N)CCCCC3)n2)s1 596602104 ZNPVFYLKLJXAHI-UHFFFAOYSA-N 288.376 3.518 30 20 CHED N#C[C@@H](C(=O)[C@H]1CC12CCCC2)c1nc2ccccc2o1 747477524 BDODTRACXJXYNB-NWDGAFQWSA-N 280.327 3.584 30 20 CHED C=CCCCON=Cc1cc(Cl)c(OC)c(OC)c1 740872454 ASKYMXVKYQYBFN-UHFFFAOYSA-N 283.755 3.674 30 20 CHED CC(C)(CC(=O)NCc1ccc(C#N)c(Cl)c1)C1CC1 590365070 PIYXFLGIJGMYIP-UHFFFAOYSA-N 290.794 3.654 30 20 CHED CCO[C@@H]1CC(=NOCc2cccnc2)C12CCCCC2 746587366 NTUARLLMFMSBOZ-MRXNPFEDSA-N 288.391 3.714 30 20 CHED CC[C@@H](C)CCCCC(=O)N(C)CC(C)(C)C#N 590494926 HJATYKDDDKXUAV-CYBMUJFWSA-N 252.402 3.601 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)OC2(CCCC2)C1 592194022 OFEBYPNDJJEDHD-CABCVRRESA-N 284.403 3.653 30 20 CHED C(=NNCc1ccccc1)c1cccc2ccccc12 916343776 GUCZVUIKLRLPBQ-UHFFFAOYSA-N 260.340 3.964 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(OC)c(C)c1 590597416 SXIXZUMIUXMCGS-UHFFFAOYSA-N 297.354 3.853 30 20 CHED CCc1nc2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2s1 592524042 TZNGETHTEUQOPX-GHMZBOCLSA-N 271.389 3.963 30 20 CHED C#CCN(CC)C(=O)c1sc2cccc(C)c2c1Cl 919876354 DOQNHUMIQRCLTQ-UHFFFAOYSA-N 291.803 3.958 30 20 CHED C=CCC1(NCC[S@@](=O)c2ccccc2)CCCCC1 599611221 YJXGCBKAUFNXPR-HXUWFJFHSA-N 291.460 3.663 30 20 CHED N#Cc1ccc(N(C(=O)Cc2cccs2)C2CCC2)cc1 598887345 XCHDNCZEFYOTDN-UHFFFAOYSA-N 296.395 3.748 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1nc2ccccc2n1C)C(C)(C)C 744011015 UZJHLYYIVWAXMI-KXXVWKPMSA-N 295.386 3.742 30 20 CHED COc1cccc(/C=N\Cc2ccc(OC(C)C)cc2)c1O 914558513 XZVSDSILIRMTCD-UNOMPAQXSA-N 299.370 3.807 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@@H]2CCCC2(F)F)c1 840710543 TUDCUUAHDOLSMO-BEAUZRKQSA-N 283.318 3.645 30 20 CHED CC(C)c1cccc(NC[C@@H](O)CC(C)(C)C#N)c1 598726374 SAXQIIAGQZBMMG-HNNXBMFYSA-N 260.381 3.523 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1coc2ccc(Cl)cc12 593407678 OIGSNQNBEJTFEP-SNVBAGLBSA-N 290.750 3.708 30 20 CHED C=CCCSCC/N=C\c1cc2ccccc2nc1O 849170641 RQLQPBWRXDLLGG-ATVHPVEESA-N 286.400 3.669 30 20 CHED N#CCCCCOC(=O)c1cccc(C(F)(F)F)c1 912956373 BTJVFOJHLRMXOB-UHFFFAOYSA-N 271.238 3.556 30 20 CHED COc1ccc(O)c(/C=N\C[C@H](C)Cc2cccs2)c1 741464484 PDBDAVNBMSWIDD-ZSAINHDTSA-N 289.400 3.760 30 20 CHED CC[C@@H](CC#N)NC(=O)CCCc1ccc2c(c1)CCCC2 593606010 NGCALECRNIGBMR-SFHVURJKSA-N 298.430 3.697 30 20 CHED Cc1cc(S[C@@H]2CCOC(C)(C)C2)ccc1C#N 592355436 BHSAHWRHNRGOGJ-CQSZACIVSA-N 261.390 3.916 30 20 CHED N#CC1(CCOC(=O)c2ccc(Cl)cn2)CCCCC1 840229924 CKILKFVOJKOTKW-UHFFFAOYSA-N 292.766 3.756 30 20 CHED Cc1ccc(NC(=S)NN=C[C@H]2CC=CCC2)cc1 915923325 LIMPVKCKFYNSNI-ZDUSSCGKSA-N 273.405 3.624 30 20 CHED CCCOc1cccc(Cn2cc(C)c(C#N)c2)c1 596265328 JNPDBQYTFDDSJE-UHFFFAOYSA-N 254.333 3.505 30 20 CHED N#Cc1ccc(-c2nc(C3CCCCCC3)no2)o1 843319131 VSYLOMHMAVLWTQ-UHFFFAOYSA-N 257.293 3.639 30 20 CHED COc1ccc(C)cc1C(C)=NNc1ccccc1 744535756 JAJXYCPNIIJJET-UHFFFAOYSA-N 254.333 3.840 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C=C(/C)C(C)(C)C 742707452 MZIGVBQASNAEIO-BENRWUELSA-N 289.350 3.769 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CC23CCCC3)C(C)C)c1 747304796 ZUEOCFORDNRPDB-KRWDZBQOSA-N 281.399 3.990 30 20 CHED CC(C)=CCCC(C)=NNC(=S)NCc1ccccc1 749156649 JIDUSGJFRCMZLN-UHFFFAOYSA-N 289.448 3.773 30 20 CHED CN(Cc1ccc2ccccc2c1)C[C@@H](O)CC(C)(C)C#N 598587392 PUDMQAZFPDISNU-SFHVURJKSA-N 296.414 3.572 30 20 CHED CCC1(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CCCCC1 594040785 HHVIBGGALWZHCH-OAHLLOKOSA-N 298.430 3.966 30 20 CHED C#CCCCC(=O)N1CCCc2cc(F)cc(Cl)c21 841303929 AJALCWGUTWJVAU-UHFFFAOYSA-N 279.742 3.562 30 20 CHED CC1(C(=O)Nc2nc(Cl)c(C#N)s2)CCCCC1 841224176 WCAIIBRFOCSACI-UHFFFAOYSA-N 283.784 3.577 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)C(C)(C)C 590832472 DMOUSNFFFUHCAH-CZUORRHYSA-N 279.428 3.536 30 20 CHED C#CC[C@@H](OC(=O)[C@H]1CCOc2ccccc21)C(C)(C)C 842336877 YLGUOWVWLQWGEI-GOEBONIOSA-N 286.371 3.534 30 20 CHED CCCCCCO[C@H](C)C(=O)N(C)c1cccc(C#N)c1 840286237 JABQBRHYGWAUMC-CQSZACIVSA-N 288.391 3.506 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H](CCc2ccccc2)C(F)F)C1 599072049 XBNHMDUDNKWNPG-BZUAXINKSA-N 292.373 3.925 30 20 CHED C=C(C)CCOC(=O)COc1cccc(C(C)C)c1 744303815 YAIKLFQGHXYATR-UHFFFAOYSA-N 262.349 3.698 30 20 CHED N#CCOc1cccc(OC(=O)/C=C/C2CCCCC2)c1 841345563 JQCOZHXOJMKJIR-MDZDMXLPSA-N 285.343 3.631 30 20 CHED Fc1cccc(C=NNc2cc(F)c(F)c(F)c2)c1 747641830 GGLFZHOTVHTWCJ-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1ccc(F)c(F)c1 929862145 FZBDQDKXCNCDPH-LLVKDONJSA-N 267.319 3.526 30 20 CHED C=CCCOC(=O)c1csc(C2CCCCC2)n1 840664582 HCTDLFYSVCHDKR-UHFFFAOYSA-N 265.378 3.924 30 20 CHED C#CCCCCN[C@H](c1ccc(C)cc1)c1ccccn1 925525359 AKAMRNUMFIKSQA-LJQANCHMSA-N 278.399 3.873 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 750946373 PYBSFESCMXDTCY-UHFFFAOYSA-N 299.330 3.830 30 20 CHED N#CCOc1cccc(OC(=O)OCC2CCCCC2)c1 859191425 KXDYTICNJSMSAR-UHFFFAOYSA-N 289.331 3.685 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@H]1CCC(=O)[C@@H]1C 851145686 YXSCISZSUJONGI-KQTLUZQSSA-N 278.392 3.670 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(F)cc1F 759011370 QMDCHCOHYSAIID-UHFFFAOYSA-N 266.287 3.776 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\Cc2ccc(Cl)cc2)c1 920943496 LUZABLAFDCGVCV-SXGWCWSVSA-N 290.706 3.573 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1cc(F)cc(F)c1O 757471465 CSSBREFHIVOPSX-ARJAWSKDSA-N 295.672 3.615 30 20 CHED Fc1cc(F)cc(C=NNCc2cnc3ccccc3c2)c1 755788267 FSXJFJXBTWOMQL-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(OC(C)C)cc1)OCC 755910322 XEEGCKYOIWCLFS-INIZCTEOSA-N 292.375 3.751 30 20 CHED CC#CCCCC(=O)N1CCc2ccccc2[C@H]1C(C)C 680999371 BUWGKGHMYBTSCF-LJQANCHMSA-N 283.415 3.962 30 20 CHED C#CCN(CC)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 758710870 DVIRHJJFNJGTRX-UHFFFAOYSA-N 288.778 3.759 30 20 CHED Cc1ccc(NC(=S)NN=C(C(C)C)C2CC2)cc1 750919100 VVADTXCIUSBUDS-UHFFFAOYSA-N 275.421 3.703 30 20 CHED CCOc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1 924784518 WZTVWRBVXATPIN-ZDUSSCGKSA-N 260.381 3.503 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2cc(Cl)ccc2F)c1 920945162 RDLPZGCTDCQOTP-UHFFFAOYSA-N 294.669 3.844 30 20 CHED C=CCN(Cc1ccc(C#N)cc1OC(F)F)C(C)C 752281726 PIZPYCKPEPDFDB-UHFFFAOYSA-N 280.318 3.556 30 20 CHED CCn1cc(C(=O)/C=C/C=C\c2ccc(F)cc2F)cn1 758017354 QDGIAVCQSCCPPV-CIIODKQPSA-N 288.297 3.634 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cccc(-n2cnnc2)c1 925710353 WJNJARKYTKMNAG-CABCVRRESA-N 284.407 3.663 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)Cc1ccc(C)nc1 851144878 UCCOAEYPDNLGGO-CVEARBPZSA-N 273.376 3.611 30 20 CHED C=CC[C@H](C)NC(=O)/C=C(\C)c1cccc(Cl)c1 750003673 JRIGNXXTZJZNHR-ZKQHCESOSA-N 263.768 3.824 30 20 CHED Cc1cccc2c1OC/C(=C/c1nc(Cl)cs1)C2=O 759075192 HLCPETSYXVUVTJ-UITAMQMPSA-N 291.759 3.764 30 20 CHED CC(=NNc1ccccc1Cl)c1cc(O)cc(O)c1 753692734 LDRPMYCKZFOGHV-UHFFFAOYSA-N 276.723 3.587 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1scnc1C 756831252 HUOLLRDZPMYOMG-UHFFFAOYSA-N 279.796 3.619 30 20 CHED COCC(=NNc1ccc(Cl)cc1Cl)C1CC1 754257492 HZBZKFXMUUZQPB-UHFFFAOYSA-N 273.163 3.818 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C)ccc1O 768551037 PUOJHFXSABEGKT-UHFFFAOYSA-N 267.372 3.889 30 20 CHED CCCC1(C(=O)Oc2ccc(C#N)cc2F)CCC1 769739352 ICQNWOYWDYLWSO-UHFFFAOYSA-N 261.296 3.573 30 20 CHED COc1cc(F)ccc1NN=Cc1cccc(C)c1C 761891046 UVDCVWCXZBZHQT-UHFFFAOYSA-N 272.323 3.897 30 20 CHED CC[C@@H](C#N)C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 863254432 GVRHKWTUDZRKCS-ZFWWWQNUSA-N 284.403 3.788 30 20 CHED CCCCCCCC(=O)N1Cc2ccc(O)cc2C1 862608370 TYPWXNWYZPWHGG-UHFFFAOYSA-N 261.365 3.595 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CCC2(C)CC2)cc1 930978862 GLQZNNYSNJZLBI-UHFFFAOYSA-N 270.376 3.822 30 20 CHED C=C[C@H](CC)CC(=O)N(CC)c1ccc(OC)c(OC)c1 930064910 WXHQJHZUBPBLBG-CYBMUJFWSA-N 291.391 3.659 30 20 CHED CC[C@H](CSC)N(C)CCCCC1(C#N)CCC1 930180569 XAGLELHMJYWGFL-CQSZACIVSA-N 268.470 3.924 30 20 CHED C=CC1CCN(Cn2nc(Cl)c3ccccc32)CC1 769647691 QGKPHPDKOKKQNX-UHFFFAOYSA-N 275.783 3.545 30 20 CHED C=CCN(Cc1c[nH]nc1-c1ccc(F)cc1)C(C)C 768547863 SMCDQTQNNSVWLA-UHFFFAOYSA-N 273.355 3.612 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(C(F)F)cc1 764525829 IVWKVOVNUUNKRJ-LLVKDONJSA-N 284.302 3.649 30 20 CHED C=CCC1(c2nnc(CCOc3ccccc3)o2)CCC1 1118077149 OAJIXEIHKKLOFI-UHFFFAOYSA-N 284.359 3.689 30 20 CHED Clc1ccnc(NN=C2CCC3(CCOCC3)CC2)c1 777905934 CJTXHGZJUYSLEY-UHFFFAOYSA-N 293.798 3.874 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc3c(c2)OC(F)(F)O3)C1 774275780 YVIQYMVFJZJDSZ-UWVGGRQHSA-N 280.274 3.502 30 20 CHED C#CCCCCCC(=O)O[C@@H](C)c1ccc(C#N)cc1 779971118 AJOYCRCVUJPIKL-AWEZNQCLSA-N 269.344 3.746 30 20 CHED C#CCCCCN[C@@H](Cc1ccc(F)cc1)C(C)C 773034609 DTGJJQCZWQREOF-KRWDZBQOSA-N 261.384 3.786 30 20 CHED C=CC[C@H](OC(=O)c1c[nH]cc1C)c1ccccc1 778737917 FVZFGFWFFATQPS-HNNXBMFYSA-N 255.317 3.797 30 20 CHED C#C[C@@H](NC[C@@H](C)CCC#N)c1ccc(Cl)cc1 877540949 IXJDWXJEZWHYLE-SWLSCSKDSA-N 260.768 3.544 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccsc2)cc1F 776726386 JAEYKNIQFLUCFN-DAFODLJHSA-N 257.289 3.655 30 20 CHED Cc1ccc2ncc(/C=C3/CCCC(C)(C)C3=O)n2c1 771858767 LCYYQEKIHLKCIK-LCYFTJDESA-N 268.360 3.805 30 20 CHED C=CCN(C(=O)[C@@H](C)CSCc1ccccc1)C(C)C 773013748 SZMUUZUHTHWPRF-HNNXBMFYSA-N 291.460 3.979 30 20 CHED Cc1ccc(F)cc1C=NN[C@@H](C)c1ccccc1 777883041 OXOKOJJYVVUCFR-ZDUSSCGKSA-N 256.324 3.819 30 20 CHED C=CC(C)(C)CC(=O)Nc1cn(C)nc1-c1ccccc1 889852264 LHXJYXSWROTEPL-UHFFFAOYSA-N 283.375 3.628 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3C[C@]3(C)C(C)C)[nH]c12 774105085 SRFZICLSBSDMJX-SNUQEOBHSA-N 295.386 3.730 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ncc(C)cc1C 779934934 TYMDREZVODSFRW-UHFFFAOYSA-N 286.419 3.907 30 20 CHED C#CCCCCCC(=O)Nc1cc(F)c(O)cc1Cl 885676954 XSJMUPVEUWGTJK-UHFFFAOYSA-N 283.730 3.707 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CCCCS2)c(Cl)c1 784243558 JLVOEOHRKRYAFB-ZDUSSCGKSA-N 295.791 3.541 30 20 CHED CC(C)(C)CC(=O)N1CCC(c2ccc(C#N)cc2)CC1 887706152 NUOQXTYOTMJIPC-UHFFFAOYSA-N 284.403 3.700 30 20 CHED CSc1cc(Br)ccc1CNCCCC#N 273081791 QTULEVAYGBBPLO-UHFFFAOYSA-N 299.237 3.564 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1sc(C)c(C)c1C#N 1124065798 IZBQFAOYIMGPRZ-UHFFFAOYSA-N 295.367 3.669 30 20 CHED CCC(=NNc1ccc(OC)cn1)C1CCCCC1 780274875 JKEONNIXVMSASH-UHFFFAOYSA-N 261.369 3.848 30 20 CHED CC(=NO[C@H]1CCCCO1)c1csc(Cl)c1 787164386 ZFWIZOAHVLEQPK-NSHDSACASA-N 259.758 3.669 30 20 CHED Cc1cc(C)c(COC(=O)Cc2ccc(C#N)cc2)c(F)c1 785922092 REDXIVVCLOAESN-UHFFFAOYSA-N 297.329 3.600 30 20 CHED CC(C)c1ccc(N[C@H](C)CC2(C#N)CCOCC2)cn1 896619831 WZXZJDSKKGZIJX-CQSZACIVSA-N 287.407 3.716 30 20 CHED COc1cc(C#N)ccc1OCCSC1CCCC1 77490624 QTQPLKDJYNCHGG-UHFFFAOYSA-N 277.389 3.621 30 20 CHED N#Cc1ccc(NN=Cc2cc(F)ccc2F)cc1Cl 783878673 ZEKQUGZCRNMBTQ-UHFFFAOYSA-N 291.688 3.936 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(C(F)(F)F)nn2)[C@@H]1C 781128812 VOKALKMUAZRWBP-RKDXNWHRSA-N 286.301 3.719 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CCCc3cccnc32)c1 896411442 FTXYWQRKQBFLGY-MRXNPFEDSA-N 291.354 3.645 30 20 CHED C=C1CCC(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 890423274 KJJAESSZIYCZDU-GFCCVEGCSA-N 271.351 3.675 30 20 CHED Cc1ccc(C)c(NC(=S)N2CCC[C@](C)(C#N)C2)c1 783774007 QJJXFGRREZDGOX-MRXNPFEDSA-N 287.432 3.626 30 20 CHED CC(C)CC(=NNc1ncncc1F)c1cccs1 793198900 HPDXDWPVDOVPMX-UHFFFAOYSA-N 278.356 3.540 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C1CCC[C@@H]1CCF 794936208 QHAINOWKWJOMQP-SECBINFHSA-N 283.278 3.662 30 20 CHED CCCCCCCCCN1CCC[C@]12CCOC2=O 792294196 GYPQUFYSBQCXGQ-MRXNPFEDSA-N 267.413 3.519 30 20 CHED Cc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)c(N)c1C 796117904 NJNIDLSIWJAQKP-OAHLLOKOSA-N 286.375 3.515 30 20 CHED C=CCN(C(=O)Nc1cc(OC)c(C)cc1C)C(C)C 797677122 PBZZQVZTGVVFMD-UHFFFAOYSA-N 276.380 3.740 30 20 CHED C=CCNN=C1CCCc2nc(-c3ccccc3)sc21 794993563 DIGHOTCZIFHDRI-UHFFFAOYSA-N 283.400 3.626 30 20 CHED C=CC[C@H](CC)NC(=O)C(F)(F)c1ccc(C)cc1 798553595 GDULKQHZVHSITC-ZDUSSCGKSA-N 267.319 3.558 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc(C(C)(C)C)cc1 796846238 FTRJXEZZLAFZCA-QGZVFWFLSA-N 273.376 3.967 30 20 CHED COc1ccccc1CON=C1CCCC12CCOCC2 799887901 LBWAWRQXSVIEAC-UHFFFAOYSA-N 289.375 3.549 30 20 CHED CCC(CC)CNN=C1CCC[C@@H]1c1ccccn1 794930259 FXBYXFFAQQXAFY-CQSZACIVSA-N 259.397 3.731 30 20 CHED C=CCC[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccco1 796858947 KZSQDZQVNGBPSV-ZDUSSCGKSA-N 298.342 3.730 30 20 CHED CCc1ccc(C(C)=NNc2cccc(F)n2)s1 795007868 OVURWZLLSIBJLU-UHFFFAOYSA-N 263.341 3.681 30 20 CHED Cc1ccc([C@H](O)[C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 797057616 AFIHMRCBDMRXSW-ZRGWGRIASA-N 294.398 3.639 30 20 CHED C=CCN(Cc1nc([C@H](C)SCC)no1)C(C)(C)C 595764878 FVEFIYUWQUBCGA-NSHDSACASA-N 283.441 3.670 30 20 CHED CC[C@@H](C#N)C(=O)NCc1ccc(Oc2ccccc2)cc1 1143140793 VPPQQZFRKJBKFU-HNNXBMFYSA-N 294.354 3.645 30 20 CHED CN(c1ccc(C#N)cn1)[C@@H]1CCC[C@@H]1c1ccccc1 1307138987 KJQYTSJVDXTHBY-IAGOWNOFSA-N 277.371 3.726 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)CC(C)(C)C1 1307660554 YWVMLARNOSSWOF-UHFFFAOYSA-N 274.383 3.955 30 20 CHED CC(C)CN(C[C@H]1CC[C@H](C)O1)c1ccc(C#N)cc1 1307551811 MLUIMHQLMQDHNE-WMLDXEAASA-N 272.392 3.588 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 1230462551 CTCRIDHVPINYIF-ZDUSSCGKSA-N 294.826 3.793 30 20 CHED Cc1cc(C(=O)/C=C\c2cccnc2N(C)C)cc(C)c1F 1328933760 BFIRMKDYWUGIHV-FPLPWBNLSA-N 298.361 3.800 30 20 CHED N#CCc1cccc(-c2nnc(-c3ccccc3F)o2)c1 1322259775 IFINOKANBZGEMX-UHFFFAOYSA-N 279.274 3.609 30 20 CHED C=C[C@H](C)NC(=O)c1nc(-c2ccccc2)oc1C1CC1 1323771079 UQMLBHAIWKOAEV-NSHDSACASA-N 282.343 3.523 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(C)c(Cl)c1Cl 1320840046 WNPQNDYFIQJFEB-VIFPVBQESA-N 285.174 3.787 30 20 CHED Cc1cccc2c1CCCN2C(=O)c1cccc(C#N)c1C 1321222899 JXNYNZWWLGGIGK-UHFFFAOYSA-N 290.366 3.768 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)Cc1ccccc1Cl 1339067896 RJOQJTKJCLEXGF-GXTWGEPZSA-N 292.810 3.669 30 20 CHED CC(C)[C@@H](C)C(=O)N(c1ccccc1C#N)C1CCC1 1332589957 ZTPHACOSAACVJF-CYBMUJFWSA-N 270.376 3.736 30 20 CHED N#Cc1cc(F)c(C(F)(F)F)cc1S[C@H]1CCOC1 1337960255 VLHODENAQXEMCX-QMMMGPOBSA-N 291.269 3.597 30 20 CHED N#Cc1ccc(COc2ccc([C@@H]3CCOC3)cc2)s1 1334032915 KWJUKAGAOVHUPS-CYBMUJFWSA-N 285.368 3.703 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OCC)c(OCC)c1 1336785708 RXKANJZOZAQBFR-UHFFFAOYSA-N 277.364 3.779 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc(-c2cnco2)c1 1337550930 MVNOTUHINMCBSL-MRXNPFEDSA-N 296.370 3.912 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)Cc2cc(Cl)cc(Cl)c2)C1 1347247562 XHOFPNZWOLACSI-ZANVPECISA-N 298.169 3.771 30 20 CHED C=C(C)CCC(=O)Nc1ccc(N2CCSCC2)cc1 1348717339 FXBIDUYAUKZDCO-UHFFFAOYSA-N 290.432 3.535 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)ccc1F)c1ccsc1 1525018861 ITPHAEZPANEKEM-VIFPVBQESA-N 274.320 3.501 30 20 CHED N#CCCCOc1cccc(NC[C@H]2CCSC2)c1 224386309 KVIPIKSLOKZBGN-CYBMUJFWSA-N 276.405 3.534 30 20 CHED CCCc1ncc(C(=O)O[C@H](CC#N)c2ccco2)s1 1520425490 VJKBTJJPLSDDAC-LLVKDONJSA-N 290.344 3.500 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1Cc1cc(C#N)ccn1 1459646013 GPEQOTBEJPQHJG-IBGZPJMESA-N 291.398 3.709 30 20 CHED COc1cc(C#N)ccc1OCc1nsc2ccccc12 1458739493 UYRNYLAVMIIKBM-UHFFFAOYSA-N 296.351 3.756 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1c1ccnc(C#N)c1 1458384174 FMIVIAAFOZFEGT-GOSISDBHSA-N 277.371 3.713 30 20 CHED CC(C)CC[C@H](C)NC(=O)[C@@H](CC#N)c1ccccc1 1521717073 MBRIALVRHFOTIX-HOCLYGCPSA-N 272.392 3.625 30 20 CHED Cc1nsc(NC[C@@H]2CCCc3ccccc32)c1C#N 1458100158 RWOHACYSHZDSOJ-ZDUSSCGKSA-N 283.400 3.855 30 20 CHED CCC[C@@H]1CCCN1C(=O)Nc1cc(C#N)c(F)cc1F 1526878813 HOEYYJVJGYNUMR-LLVKDONJSA-N 293.317 3.633 30 20 CHED N#Cc1cccc2c1CCN2CCC1(C#N)CCCCC1 1618683490 FEWAYYKKJMPZTL-UHFFFAOYSA-N 279.387 3.785 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)s1 226760605 BBTLEGWZUSHAAE-UHFFFAOYSA-N 289.266 3.615 30 20 CHED C=CC[C@H](C)NC(=O)CCCc1c[nH]c2ccccc12 116851059 LHQSTZDGMSDGIU-ZDUSSCGKSA-N 270.376 3.571 30 20 CHED COc1ccc(C#N)cc1N[C@H]1Cc2ccc(Cl)cc2C1 1621239132 LHBUGRMQMMXCQO-HNNXBMFYSA-N 298.773 3.800 30 20 CHED Cc1cccc(N(C)C(=O)Nc2cc(C#N)ccc2F)c1C 1625455606 XTZFSAJDTUPHFF-UHFFFAOYSA-N 297.333 3.983 30 20 CHED Cc1cc(CNCc2cccc3ncccc23)ccc1C#N 1560580078 JUKUBHDNSOSKHI-UHFFFAOYSA-N 287.366 3.705 30 20 CHED Cc1ccnc(N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c1C#N 1640036133 MJZWPIGMEMLNMH-FPMFFAJLSA-N 257.381 3.888 30 20 CHED CC[C@H]1CCCC[C@H]1NCCc1ccc(C#N)cc1 1642808492 PTNLMIPYRMKTOA-DLBZAZTESA-N 256.393 3.659 30 20 CHED Cc1cc(Nc2ccc3ncsc3c2)ncc1C#N 1651459862 UMCBJONPLJBGFI-UHFFFAOYSA-N 266.329 3.615 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)Cc1cccc(C#N)n1 1652095685 PSMSTBPVMGDKLA-CYBMUJFWSA-N 291.354 3.892 30 20 CHED CCCC[C@@H](C)NCc1cn(C)nc1-c1ccc(C#N)cc1 1657745148 RAFWLNFCHTXZSH-CQSZACIVSA-N 296.418 3.627 30 20 CHED C=CCC[C@@H]1CCCN1Cc1cc(C(=O)O)ccc1Cl 1588781993 MKCCKLFBEZFYFP-CQSZACIVSA-N 293.794 3.969 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1CCOc1ccccc1C#N 1652889607 COQAOJHUWUCPSF-RDJZCZTQSA-N 286.419 3.838 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(-c3ccc(C#N)cc3)n2)C1 230997639 XTRCETSHLIFTMI-BXUZGUMPSA-N 267.332 3.902 30 20 CHED C[C@@H](c1nccc2ccccc12)N1CCC[C@@H](CC#N)C1 1652813074 WZCYNFUFEOAILG-GJZGRUSLSA-N 279.387 3.921 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCC2CCCC2)n1 1656663313 BDFUFBMWDMWZEC-UHFFFAOYSA-N 258.365 3.820 30 20 CHED C=C(Cn1c(C)nnc1N1CC[C@H](CC)C1)c1ccccc1 1749242796 SMFHHVQLSPNPTM-INIZCTEOSA-N 296.418 3.536 30 20 CHED CSc1ccc(C)c(NC(=O)Nc2ccnc(C#N)c2)c1 1663858318 IYKXGKXDTLDUAS-UHFFFAOYSA-N 298.371 3.628 30 20 CHED CCCCCCCC(=O)Oc1c(OC)cccc1C(=O)O 1595705130 PIOWZLAXXMVECD-UHFFFAOYSA-N 294.347 3.659 30 20 CHED C=CCc1ccccc1C=NNc1cccc(C(=O)O)c1C 1776089390 PNNXQPLDUFKZRU-UHFFFAOYSA-N 294.354 3.868 30 20 CHED C#Cc1cccc(NCc2csc(C3CC3)n2)c1 134805933 BSMZNFGLTHEOSF-UHFFFAOYSA-N 254.358 3.614 30 20 CHED C=C(C)COc1ccc2c(CCC)cc(=O)oc2c1 5554476 FYVUVQCCONZNDC-UHFFFAOYSA-N 258.317 3.700 30 20 CHED Cc1ccc(Nc2nnc(SCCC#N)s2)cc1 5624338 VHNPMYUYXWKWTC-UHFFFAOYSA-N 276.390 3.596 30 20 CHED CC(C)(C)c1cnc(CO/N=C/c2cccs2)o1 152223266 QONYAWOOMFIRCE-VIZOYTHASA-N 264.350 3.584 30 20 CHED C[C@H]1CC=CC[C@@H]1COC(=O)c1c(F)cc(C#N)cc1F 152270612 DRALGSVUFRSAKX-CMPLNLGQSA-N 291.297 3.596 30 20 CHED CCCCN(C)C(=O)CS[C@@H](C)c1ccc(C#N)cc1 156249264 IBHVXBBGDOFTLE-ZDUSSCGKSA-N 290.432 3.611 30 20 CHED C[C@@H](CC#N)NC(=O)CC1CCC(C(C)(C)C)CC1 156033813 JXFNCWUWNMDZLT-HSBZDZAISA-N 264.413 3.647 30 20 CHED C[C@H](c1cccs1)N(C)CC#Cc1ccc(F)cc1 156196347 AOLPUPJHQQVFGI-CYBMUJFWSA-N 273.376 3.932 30 20 CHED CCN(CC)CCC[C@H](C)Nc1nccc(C#N)c1Cl 233452449 QIDRZJNDBBYDER-LBPRGKRZSA-N 294.830 3.529 30 20 CHED COc1cc(CN2CCCC(C)(C)CC2)ccc1C#N 234964644 CAIPSEFTZOLRAD-UHFFFAOYSA-N 272.392 3.579 30 20 CHED N#CCc1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 252421044 YQUDXVDIDDLZNM-QRIFCXAISA-N 266.388 3.989 30 20 CHED C#CCCCCNC(=O)CCSc1ccc(C)c(C)c1 156090620 GOBPIJWFGMRTJP-UHFFFAOYSA-N 289.444 3.705 30 20 CHED CCN(CC)c1ccc(NCC(C)(C)CCC#N)cn1 158132588 WCPOVNMYGMXLTC-UHFFFAOYSA-N 274.412 3.670 30 20 CHED Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)o1 37280827 IAXYKPUXZFMWKQ-STQMWFEESA-N 254.333 3.872 30 20 CHED C=CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C 162213661 USIANWXYGDHUEJ-UHFFFAOYSA-N 296.754 3.675 30 20 CHED C[C@@H]1CCCCN1CCCNc1ccc(Cl)cc1C#N 52856799 ALMACKNCYMBDRJ-CYBMUJFWSA-N 291.826 3.888 30 20 CHED N#Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1F 308071363 BNAHXYNEJKGIAL-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(OCC#N)cc2)CC[C@H]1C 84982312 ZXJOSSXNMJTHTN-IPYPFGDCSA-N 258.365 3.826 30 20 CHED CC(C)C[C@@H]1CCCN1c1nccc(C#N)c1Cl 341854943 URWXRHKHLKFCJL-LBPRGKRZSA-N 263.772 3.622 30 20 CHED N#Cc1cc(N2CC[C@@H](C3CC3)C2)ccc1C(F)(F)F 400030528 GTXJJXTYUSTROY-LLVKDONJSA-N 280.293 3.813 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)Nc1cccc(C#N)c1)C1CC1 109846739 HWXGCNONEIHKHI-CHWSQXEVSA-N 285.391 3.989 30 20 CHED Cc1cc(NCc2coc3ccccc23)cc(C#N)n1 342409660 RWOYHESDVKAQKM-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C[C@H]1CCC[C@@H]1NCc1cccc(OCCCC#N)c1 105504972 DECVIRUJDBRAPK-YOEHRIQHSA-N 272.392 3.647 30 20 CHED C=CCCCC(=O)NC1(c2nc(C)cs2)CCCC1 177847747 GJOCCYZVBFLRKD-UHFFFAOYSA-N 278.421 3.693 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1cccc(C)c1C 177864591 AXQGEJVUNXETHJ-CYBMUJFWSA-N 263.406 3.940 30 20 CHED CSc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)co1 1265620741 SQGYMSPXUXJVNT-JTQLQIEISA-N 287.340 3.791 30 20 CHED CC(C)[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1 57627577 JMYKDEOFZJXUSP-LJQANCHMSA-N 294.398 3.924 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C)n(CC)c2C)c1 56337412 SIAQVEHYHRLUBJ-UHFFFAOYSA-N 298.386 3.942 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 116957018 STZXPXOHZQLAOL-QWRGUYRKSA-N 295.452 3.765 30 20 CHED N#Cc1cccc(SCc2nc(-c3ccsc3)no2)c1 177100054 IVULIWZBGIRHIU-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C=CCCCCCN(C)Cc1nnc(-c2ccco2)o1 172654830 OVODOXAVXSGHHQ-UHFFFAOYSA-N 275.352 3.508 30 20 CHED COc1ccc(CN(CCC#N)CCC(C)C)cc1F 173546300 BRYTVYMUZNQEMY-UHFFFAOYSA-N 278.371 3.596 30 20 CHED C=CCSCCNc1nc(-c2ccccc2)ns1 301329848 AWMUUMXESFVBNN-UHFFFAOYSA-N 277.418 3.536 30 20 CHED CC(C)(C#N)CCCOc1ccc(Br)nc1 135511648 XTTVTRGFGHUHDF-UHFFFAOYSA-N 283.169 3.553 30 20 CHED C[C@H](Cc1ccsc1)Nc1ccc(Cl)c(C#N)n1 67369155 ALUDJOQKHBCYIM-SECBINFHSA-N 277.780 3.711 30 20 CHED Cc1ccc(C#N)c(N2CCC(c3ccccc3C)CC2)n1 301899664 UBXMXCCWONJXTC-UHFFFAOYSA-N 291.398 3.954 30 20 CHED C=CCCCC(=O)Nc1nnc(C(CC)CC)s1 175215694 OGUOLFXMNWZLBZ-UHFFFAOYSA-N 267.398 3.737 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(C)c1 116814303 QGTUCSUYIJAJKW-GUYCJALGSA-N 270.376 3.506 30 20 CHED C=C[C@H](C)N[C@@H](C)c1sc(-c2cccnc2)nc1C 119345684 BVTMJGDUEABZRN-QWRGUYRKSA-N 273.405 3.739 30 20 CHED CCCCC[C@H](NC(=O)CSCC#N)c1ccccc1 171084210 JOXXRJXADBOJHC-HNNXBMFYSA-N 290.432 3.681 30 20 CHED CCC(CC)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)N(C)C 20202029 OLTVQVAOOFWSPS-KBXCAEBGSA-N 287.451 3.575 30 20 CHED C=CC1CCN(C(=O)CCSc2ccccc2F)CC1 110365996 OLSCKBBQZQMNAL-UHFFFAOYSA-N 293.407 3.733 30 20 CHED C=CCN(Cc1cccs1)Cc1cccc(OC)c1O 119939513 LKHBXWUIEPNWMS-UHFFFAOYSA-N 289.400 3.651 30 20 CHED C=CC1CCN(C(=O)c2cc(C)c(CC)s2)CC1 110362388 ICTMLEVYZHGILC-UHFFFAOYSA-N 263.406 3.657 30 20 CHED CC(C)(CCC#N)COC(=O)c1nsc2ccccc12 1348350939 YARANWWDLSCHOP-UHFFFAOYSA-N 288.372 3.783 30 20 CHED N#Cc1nc(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)ccc1Cl 301746979 QNUPWBVSIAXVTC-AFAVFJNCSA-N 295.773 3.747 30 20 CHED Cc1cc([C@@H](C)Nc2ccnc(C#N)c2)c(C)s1 61812022 ASVUDRQXDOJKAM-SNVBAGLBSA-N 257.362 3.805 30 20 CHED C=CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66851042 DHHWKSOWTASZFJ-ZDUSSCGKSA-N 272.175 3.553 30 20 CHED C=CCn1c(S[C@H]2C=CCCC2)nnc1-c1ccncc1 171791815 MVGHTTGMFZWPDH-AWEZNQCLSA-N 298.415 3.727 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(Cl)nc1 60677812 BJFRBNLLYKVGJW-UHFFFAOYSA-N 292.791 3.625 30 20 CHED C=CCS[C@H](C)c1nc(-c2ccc(OC)cc2)no1 129347852 TYBCTTPLHFDAEG-SNVBAGLBSA-N 276.361 3.725 30 20 CHED N#Cc1ccc(NCc2ccccc2OC2CCCC2)cn1 301538907 URULKFHFNAYDEU-UHFFFAOYSA-N 293.370 3.887 30 20 CHED CC(=O)c1ccc(CNc2ccc(C#N)c(Cl)c2)nc1C 302062158 SLAFQVUCXPSPBE-UHFFFAOYSA-N 299.761 3.730 30 20 CHED CCC(C#N)(CC)C(=O)NCC1CCC(C)(C)CC1 311577871 NWWDRGFWGDGXHC-UHFFFAOYSA-N 264.413 3.649 30 20 CHED CC(C)[C@H]1CCCN(c2c(C#N)cccc2C#N)CC1 302906101 WKNQLEPKPBRDHK-AWEZNQCLSA-N 267.376 3.692 30 20 CHED CC[C@@H](C#N)Sc1nnc(C2CC2)n1-c1ccccc1 127116886 URQUBNPYQZISGW-ZDUSSCGKSA-N 284.388 3.539 30 20 CHED COc1ccc(C#N)cc1NCc1ccsc1Cl 361589385 VAZUWAVKNCGWCU-UHFFFAOYSA-N 278.764 3.894 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C12CCC2 182052829 UEDZHVLDQHRJTP-OKZBNKHCSA-N 298.430 3.969 30 20 CHED C=C(C)CN(C)C(=O)c1cc(-c2ccc(Cl)s2)on1 183058243 YLOLLEVWPQRAPV-UHFFFAOYSA-N 296.779 3.705 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C#N)C(C)(C)C 122232638 SGQCGWAKRBGMBG-DZGCQCFKSA-N 272.392 3.543 30 20 CHED COC(C)(C)CCNc1ccc(C#N)c(Br)c1 306079392 CCSFBCMRYHEEEP-UHFFFAOYSA-N 297.196 3.548 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1CSC 184762063 KVTCAGDSXQKBPW-LLVKDONJSA-N 264.394 3.636 30 20 CHED C#C[C@@H](C)OC(=O)c1cncc(-c2ccc(Cl)cc2)c1 125931220 UWNBUUGTXMNNHB-LLVKDONJSA-N 285.730 3.581 30 20 CHED N#Cc1ccc(NCC2(c3cccc(F)c3)CC2)cc1 301352425 KYHJDEVGXXDHCG-UHFFFAOYSA-N 266.319 3.841 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(Cl)cc1OCC 181792727 PKTXIMYCUSLPRL-UHFFFAOYSA-N 282.771 3.779 30 20 CHED Cc1ccccc1[C@@H](NCCCSCC#N)C(C)C 183234087 RLRYTEOMYNJFGM-INIZCTEOSA-N 276.449 3.929 30 20 CHED CCC(CC)c1cc(C(=O)Nc2cccc(C#N)c2)on1 129191104 YDFRIDCNHDNKOC-UHFFFAOYSA-N 283.331 3.702 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2c(s1)CCCC2 189931602 KJZKALWRRHVJSB-AWEZNQCLSA-N 264.394 3.563 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCc2sccc21 188588482 HMRYCTWKTPXPQN-IUODEOHRSA-N 263.406 3.844 30 20 CHED CC(C)c1nc2cc(NCc3cc(C#N)n(C)c3)ccc2o1 318079644 RYDSULPRYANUJF-UHFFFAOYSA-N 294.358 3.773 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 183880173 BZJKEVXHQRJYDN-SUMWQHHRSA-N 280.371 3.752 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)c1ccc(F)cc1 493834971 KSARPURRDBSZJJ-LLVKDONJSA-N 270.307 3.879 30 20 CHED CC#CCCCC(=O)Nc1cc(Cl)ccc1F 184993046 HGTUVMUXLUCIJP-UHFFFAOYSA-N 253.704 3.611 30 20 CHED C=CCCC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 412401262 XLAJJGHHJHEDBY-UHFFFAOYSA-N 283.293 3.597 30 20 CHED C=CCn1c(N(C)Cc2ccccc2C)nnc1C(C)(C)C 508717678 RGLMOXFXHHSSSA-UHFFFAOYSA-N 298.434 3.706 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCSc1cc(C#N)ccn1 77906446 NUDGGYBQEDBMMH-OCCSQVGLSA-N 276.405 3.641 30 20 CHED C=CCCC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 78188704 BOGKNISMFRXEAM-UHFFFAOYSA-N 287.281 3.841 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 410833997 IWSSQMPCSWIJNZ-KLHDSHLOSA-N 276.424 3.744 30 20 CHED N#CC1(CSCc2cc(F)cc3c2OCOC3)CCC1 419404129 RDBFQWZHMPFDRW-UHFFFAOYSA-N 293.363 3.619 30 20 CHED Cc1ccc(C#N)c(NCCCO[C@@H](C)c2ccccc2)n1 127587723 KERUYWVIQLCPBY-HNNXBMFYSA-N 295.386 3.842 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)OCC1(C#N)CCCC1 183849547 NXOZOKFCORBEQJ-UHFFFAOYSA-N 296.370 3.646 30 20 CHED C[C@H](CCC#N)Sc1nc2ccccc2c(=O)n1C1CC1 188273190 JGAJOPUVUOKUHZ-LLVKDONJSA-N 299.399 3.516 30 20 CHED C[C@H](C#N)OCCOc1ccc(Oc2ccccc2)cc1 314178307 JEMKLUJGGXMWCY-CQSZACIVSA-N 283.327 3.786 30 20 CHED CC(C)(C#N)CCCOc1ccc2ncccc2c1 158124752 SFYDOCWVAHDPEO-UHFFFAOYSA-N 254.333 3.944 30 20 CHED Cc1ccccc1N(C[C@H](O)c1ccc(C#N)cc1)C(C)C 126263228 SDUSIMMRRUAQMQ-IBGZPJMESA-N 294.398 3.815 30 20 CHED CCCC1(C(=O)Nc2cnc(C#N)c(Cl)c2)CCC1 411037199 ZKNZSGKWNUPPFM-UHFFFAOYSA-N 277.755 3.516 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCC#Cc1ccc(F)cc1 182570782 WCIZWTFSYUBJOS-AWEZNQCLSA-N 294.329 3.580 30 20 CHED O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 210332129 XBOLJWILOAGGKP-UTCJRWHESA-N 288.690 3.539 30 20 CHED C#CCCCCNC(=O)Nc1cccc(C(F)(F)F)c1C 135216918 QXPJIPLEWZQQNX-UHFFFAOYSA-N 298.308 3.939 30 20 CHED C=CCC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 189557510 WUTAASZZHRBDSJ-UHFFFAOYSA-N 299.414 3.634 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(C#N)cc2)c1 410047996 RWPOVJPPGCZKRX-CQSZACIVSA-N 278.355 3.666 30 20 CHED CCCN(c1ccc(C#N)c(Br)c1)C(C)C 228177636 KOOKAICXFZTNFW-UHFFFAOYSA-N 281.197 3.946 30 20 CHED C[C@@H]1CSC(SCc2cn3ccccc3c2C#N)=N1 89522293 WWPJMAFIOKJCOA-SNVBAGLBSA-N 287.413 3.535 30 20 CHED CC(C)[C@H](/C(O)=N/[C@@H]1CCc2c[nH]nc2C1)c1ccccc1 329866501 BATOWZITJFAFEW-WBVHZDCISA-N 297.402 3.663 30 20 CHED CCc1cc(C#N)c(N=C(O)[C@@H]2CCCSC2)s1 329843178 XGNRSSCPMWVBOE-SECBINFHSA-N 280.418 3.913 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1cccc(Cl)c1 83079847 LYDMTPWHJUTOTJ-SFHVURJKSA-N 283.824 3.919 30 20 CHED CCC[C@@H](/N=C(/O)c1csc(O)n1)C1CCCCC1 329921841 SVGZWIZLBYZLCY-LLVKDONJSA-N 282.409 3.902 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ncc(Cl)s1 425365327 KIBKVFJBSUSGAR-JTQLQIEISA-N 291.807 3.861 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCc2cccnc21 425176242 MHMCKEXBVNEZJN-QGZVFWFLSA-N 298.430 3.706 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 424342996 ZXDMAEYWQYJJDG-UHFFFAOYSA-N 287.319 3.807 30 20 CHED CCC(C)(C)CNC(=O)Nc1ccc(C#N)cc1Cl 429621696 LQPNKXYKASCHKE-UHFFFAOYSA-N 279.771 3.769 30 20 CHED Cc1cc(CN2CCC[C@@](C)(C#N)C2)ccc1Cl 612406195 JOSRAXCSOMFTFP-HNNXBMFYSA-N 262.784 3.774 30 20 CHED C=CCN(C/C=C/c1ccc(Cl)cc1)CCC#N 428846230 BJXSAJDOCWFORN-HWKANZROSA-N 260.768 3.755 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)c1cccc(CC#N)c1 42198524 WBBQRNAEDTXBHY-HNNXBMFYSA-N 292.382 3.504 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 528703998 NGZFWEKZKXXJLL-DZGCQCFKSA-N 270.376 3.536 30 20 CHED CC[C@H]1CCC[C@H](Nc2c(C#N)nnc3ccccc23)C1 85920688 NZABTPFUVPHQMR-STQMWFEESA-N 280.375 3.882 30 20 CHED CC(C)CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC1 80871202 UKTKFFBMCQJKJF-ZWKOTPCHSA-N 296.414 3.699 30 20 CHED CC[C@@H]1CC[C@H](C(O)=Nc2cnc3c(c2)CCCC3)O1 329447048 LGKGENYIIDKPPS-UKRRQHHQSA-N 274.364 3.506 30 20 CHED CC[C@@H](C(=O)N(C)CCC#N)c1cccc(C(F)(F)F)c1 84181076 IZKQMTUFYQVQBU-CYBMUJFWSA-N 298.308 3.571 30 20 CHED CCc1nnc(SCCC(C)C)c(C#N)c1CC 229733610 APUGQWKFRKWSGJ-UHFFFAOYSA-N 263.410 3.611 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C)c(C(=O)OC)o1 46517079 ZYCLKLCEDIMGIB-UHFFFAOYSA-N 299.370 3.563 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1nc(C2CCC2)cs1 338035103 MTPSBYFHUDOAOK-UHFFFAOYSA-N 297.383 3.843 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2ccccc2Cl)cc1 199474224 BIUKVUMXZJHEJC-KTKRTIGZSA-N 286.714 3.934 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@]23CCC[C@H]2C3)CCCC1(C)C 421540554 AGLWOALAZGBBRY-GRDNDAEWSA-N 261.409 3.770 30 20 CHED CCC(CC)(CC)[S@@](=O)Cc1ccc(C#N)cc1 190570957 LUEHBAKXSHKNTD-SFHVURJKSA-N 263.406 3.776 30 20 CHED C[C@H](C1CCCCC1)N(C)/C(O)=N/Cc1cccc(O)c1 330396602 OCXSTHRCXULKKT-CYBMUJFWSA-N 290.407 3.707 30 20 CHED CC(C)=CCCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425522212 VEIGEYZAOWKUTK-AWEZNQCLSA-N 285.391 3.617 30 20 CHED Cc1c(NC(=O)[C@@H]2CCCC(C)(C)C2)ccc(C#N)c1C#N 421561939 UHFLCNAHFLNHGO-CYBMUJFWSA-N 295.386 3.893 30 20 CHED C=C(CNC(=O)N1C[C@H](C)C[C@@H]1CC)c1ccccc1 512678008 NWZFHJXSEVIHGA-CJNGLKHVSA-N 272.392 3.530 30 20 CHED N#CCc1cccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)c1 334980739 BOOQQEGPVKZGMW-GOEBONIOSA-N 283.375 3.549 30 20 CHED C#CCCCCN[C@@H](C)c1nc2ccc(Cl)cc2n1C 91377851 STYAIXOZDGIVMY-LBPRGKRZSA-N 289.810 3.681 30 20 CHED COc1ccccc1Sc1ccc([N+](=O)[O-])cc1C#N 49389813 FIACAHNXIKCXNR-UHFFFAOYSA-N 286.312 3.626 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2cccc(Cl)c2F)no1 335583754 DBAXPMBVPQFUBA-KCJUWKMLSA-N 294.713 3.588 30 20 CHED C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)c2ccccc21 334779362 ZQWUKXOCBBGWRL-BDJLRTHQSA-N 268.385 3.958 30 20 CHED Cc1cc(CN2CC3(CCC3)[C@H]2C(C)C)ccc1C#N 430093515 FWCSWBJLIDWGJY-QGZVFWFLSA-N 268.404 3.877 30 20 CHED COc1cc(CN2CCc3sccc3[C@@H]2C)ccc1C#N 235002800 QBLILLACHOSZDE-LBPRGKRZSA-N 298.411 3.748 30 20 CHED Cc1ccc(CCCn2nc(C#N)c3ccccc32)cc1 432479737 WRZDNTMFPJGFRB-UHFFFAOYSA-N 275.355 3.849 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H](C)C(C)(C)C 523714487 GOWGDFQRMKWSHP-CYBMUJFWSA-N 275.392 3.550 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@H](OCC)C12CCC2)C1CC1 438980455 RZMHSOGMHAJHEI-XHSDSOJGSA-N 263.425 3.669 30 20 CHED C=CC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 93359207 QVFQELSUSNKGEC-UHFFFAOYSA-N 273.405 3.536 30 20 CHED C=CCN(C(=O)Cc1cc(Cl)cc(Cl)c1)C1CC1 528961336 VMFHSDBUFBRYNU-UHFFFAOYSA-N 284.186 3.713 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCCOCC 438325050 YVDONMWXNCYNEB-UHFFFAOYSA-N 264.365 3.538 30 20 CHED N#Cc1cccc(C#N)c1NCCC1Cc2ccccc2C1 436357575 AQPNQRUGXVRSKD-UHFFFAOYSA-N 287.366 3.647 30 20 CHED CC(C)CCOc1ccc(CNCC2(C#N)CC2)cc1 521338903 URKZMWZERSFBRH-UHFFFAOYSA-N 272.392 3.505 30 20 CHED N#CCSCCCN1CCC[C@@H](c2ccccc2)C1 433061642 PYEVWUPQVUQZDA-MRXNPFEDSA-N 274.433 3.513 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1ccco1 248004287 OYUNZAUIZIUXLA-UHFFFAOYSA-N 296.370 3.521 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(Oc2cnccn2)c1 431951873 PHQQCVVPGIBQMO-UHFFFAOYSA-N 297.358 3.810 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@H](CCC#N)c1ccccc1 248576582 PIRZPKWFECHRCV-SQWLQELKSA-N 272.392 3.830 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc2cc(Cl)ccc2[nH]1 604560486 WDECLFDCOPNOGP-UHFFFAOYSA-N 289.766 3.586 30 20 CHED CSCc1cccc(CNc2snc(C)c2C#N)c1 342965487 MJDPVOUNCDLPJE-UHFFFAOYSA-N 289.429 3.798 30 20 CHED Cc1ccnc(N(Cc2ccco2)Cc2ccco2)c1C#N 343512938 PKKNROBACYVKBP-UHFFFAOYSA-N 293.326 3.655 30 20 CHED CCOc1ccc(C[C@H](C)CNC[C@H](C)CCC#N)cc1 602686731 HHIOJYBZYPHDDB-CVEARBPZSA-N 288.435 3.793 30 20 CHED CCC[C@H](NCC1(C#N)CC1)c1ccc(F)cc1F 343584368 VJLTYYURBCNDEZ-AWEZNQCLSA-N 264.319 3.699 30 20 CHED Cc1cc(-c2nc3ccc(F)cc3n2C)ccc1C#N 435701351 PNLSSOCPXKNGKI-UHFFFAOYSA-N 265.291 3.560 30 20 CHED CCCCN(Cc1ccccc1F)C(=O)[C@]1(C#N)C[C@@H]1C 448671196 OLIFFUXDZUQOKQ-GUYCJALGSA-N 288.366 3.504 30 20 CHED CCc1nc(C)c([C@@H](C)NCCc2cccc(C#N)c2)s1 343603654 NSCVKSQIUQGGJQ-GFCCVEGCSA-N 299.443 3.779 30 20 CHED C=CCCCCCn1cnc2sc(CC)cc2c1=O 447294735 JOTDNPIADLDLHO-UHFFFAOYSA-N 276.405 3.767 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(SC)c(F)c1 449549552 YZEPQDHHVRYWGD-GLQYFDAESA-N 295.423 3.932 30 20 CHED CCN(CC1CCC1)C(=O)C[C@@H](CC#N)c1ccccc1 358146172 AOQODXBQFHKDIY-QGZVFWFLSA-N 284.403 3.723 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC1CCC(OC2CCCC2)CC1 449549402 XRZIVNDXWMTYDZ-SYNTWQANSA-N 293.451 3.580 30 20 CHED CC(C)O[C@H](CNCC(C)(C)CC#N)c1ccccc1 602691167 NOMFPKYZYRVIFP-MRXNPFEDSA-N 274.408 3.682 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCC(=O)C[C@H]2C)CCCC1(C)C 443868435 NKOYAFUXGWVJNE-BMFZPTHFSA-N 291.435 3.585 30 20 CHED Cc1ccccc1C1(C(=O)NCC(C)(C)CCC#N)CCC1 359763776 JRLAEUWQJURHPV-UHFFFAOYSA-N 298.430 3.863 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C(C)C)cn1 355675987 PYTONDRTLDSFEI-ZDUSSCGKSA-N 260.381 3.680 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(ccn2CCC)c1 448839721 DWQYOIWOZJXHDS-WBVHZDCISA-N 298.386 3.581 30 20 CHED Clc1cccc(C#CCN(CC2CC2)CC2CC2)c1 440492045 XKHBUJDZUIGVMV-UHFFFAOYSA-N 273.807 3.814 30 20 CHED Cc1ccc2ccccc2c1Cn1cc(C#N)c(C)n1 359362245 AKPIHTZBVNMOMM-UHFFFAOYSA-N 261.328 3.573 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCC1 264576497 WNNNALVTCSSVAZ-LLVKDONJSA-N 289.404 3.612 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2cccc(CC#N)c2)CC1 265193418 CODAOICGBOPARU-INIZCTEOSA-N 284.403 3.651 30 20 CHED C=CCC1(NC(=O)CCCC[C@H](C)CC)CCOCC1 618249316 OSBIJAYARLDFJA-OAHLLOKOSA-N 281.440 3.834 30 20 CHED Cc1cc(CN[C@H](C)c2ccc3n[nH]cc3c2)ccc1C#N 353104660 WVUFLYYCSGQHTN-CYBMUJFWSA-N 290.370 3.594 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 613429486 LYBFUBMVBZVNCU-KFWWJZLASA-N 299.418 3.620 30 20 CHED CCC[C@H](C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 610330944 KJMZEONVBRWNHX-VIFPVBQESA-N 299.296 3.887 30 20 CHED C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)C(C)(C)C1 356267623 HASOUPQIDDXSSW-GOEBONIOSA-N 284.403 3.721 30 20 CHED C=CC[C@H]1N(C(=O)Cc2ncc(C)s2)CCCC1(C)C 444646736 SYHLJGVRLZEJFW-CYBMUJFWSA-N 292.448 3.587 30 20 CHED CC(C)N(CCC(C)(C)C#N)Cc1ccc(F)cc1 538488325 ZPGZIGUNCOZHSD-UHFFFAOYSA-N 262.372 3.976 30 20 CHED CC(C)C(NCc1ccc(C#N)cc1OC(F)F)C(C)C 611434022 FQLNYFBVYVDQJJ-UHFFFAOYSA-N 296.361 3.930 30 20 CHED C=CCN(C(=O)CCc1cc2ccccc2o1)C1CC1 357528866 RRVXYYZUSRKZOP-UHFFFAOYSA-N 269.344 3.542 30 20 CHED N#CCC[C@H](C#N)CN1CCC(Cc2ccccc2F)CC1 264902909 WKQOKBLXXDYBAB-MRXNPFEDSA-N 299.393 3.524 30 20 CHED C=CCCCC[C@H](C)NCCc1nnc(C(C)C)s1 449340746 QARWLOQYNAKPPN-ZDUSSCGKSA-N 281.469 3.929 30 20 CHED C[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)c1nccs1 612574888 RIXKNFJORNAGSC-BLLLJJGKSA-N 297.427 3.785 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2OC)CC1 356191834 NAIJJWWNHKPBBI-SJLPKXTDSA-N 299.414 3.588 30 20 CHED Cc1ccnc(CSc2nc(C)cc(C)c2C#N)c1 616199385 OXAMTVGHHQYAMC-UHFFFAOYSA-N 269.373 3.566 30 20 CHED Cc1[nH]ccc(=N[C@@H](C)c2cccc(C#N)c2)c1Cl 619587039 GDHOSHZWGLTQCH-JTQLQIEISA-N 271.751 3.510 30 20 CHED CCC(C)(C)CN[C@@H]1CCCc2cc(C#N)ccc21 617584300 PUNDPGFYDKADBS-MRXNPFEDSA-N 256.393 3.961 30 20 CHED C=CCC1(NC(=O)c2cccc(C#N)c2)CCCCC1 456390234 YNAIGOVODQTSLU-UHFFFAOYSA-N 268.360 3.567 30 20 CHED C=CCCOCCCCC(=O)NCc1ccc(C)cc1C 538266010 OFMFBNVPOQZCFN-UHFFFAOYSA-N 289.419 3.683 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 612303687 WVEHJKXHWUZCOV-HNNXBMFYSA-N 293.317 3.782 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)CC(C)(C)C#N)CC1 458643359 LNVZLHAEEFZXKT-CABCVRRESA-N 293.455 3.782 30 20 CHED C[C@H]1CCN(CC2(C#N)CCC2)[C@H]1c1cccc(F)c1 450456553 UBOUSAVJIWTOCC-XJKSGUPXSA-N 272.367 3.902 30 20 CHED N#CCCN(Cc1ccccn1)C(=O)C1CCCCCCC1 265922036 CEXDJBVUNFCLDA-UHFFFAOYSA-N 299.418 3.684 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(F)cc1C(F)(F)F 454706132 YYFAKJAZUDJAIZ-UHFFFAOYSA-N 290.260 3.932 30 20 CHED C[C@@H]1CCCC[C@]1(C)NCCCC1(C#N)CCOCC1 459610798 KVRDAVFDDWWHCU-CVEARBPZSA-N 278.440 3.645 30 20 CHED CSCC1CCC(Nc2c(C#N)cccc2C#N)CC1 450648501 JJYGDWISAZNSJL-UHFFFAOYSA-N 285.416 3.764 30 20 CHED C[C@H](C[C@H]1CCOC1)N[C@@H]1CCCCc2cc(C#N)ccc21 619508464 YTPLTJKAWKUFIP-IDHHARJASA-N 298.430 3.730 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1C[C@H](OCC)C1(C)C 540564955 UCMSQRFFBGUUBS-ZNMIVQPWSA-N 296.455 3.576 30 20 CHED C=CCCCCNC(=O)c1ccnc(Oc2ccccc2)c1 546017770 GOHDBSYHAJHWMI-UHFFFAOYSA-N 296.370 3.960 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCC(C)(C)CC#N 458578055 HPCBNSCAZCNLDY-XJKSGUPXSA-N 299.418 3.549 30 20 CHED C=CCC(C)(C)CNC(=O)N(Cc1ccccc1)C1CC1 458807531 FURYFGBAAKPBMM-UHFFFAOYSA-N 286.419 3.963 30 20 CHED Cc1c(C#N)c(C(F)(F)F)nc2cc(F)ccc12 544045298 GXQGEADSYCFERE-UHFFFAOYSA-N 254.186 3.573 30 20 CHED C[C@@H](C#N)CN(C)c1nc(-c2ccc(F)cc2)cs1 271648446 RLLSRHLYPFONOP-JTQLQIEISA-N 275.352 3.545 30 20 CHED CCN(Cc1cccc(OCC(C)C)c1)C[C@H](C)C#N 540507030 KFJZSIMMHKFQQO-OAHLLOKOSA-N 274.408 3.703 30 20 CHED COC(C)(C)C[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 271975734 VKOHFEJSPVVDGC-RYUDHWBXSA-N 278.371 3.552 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(Cc2ccc(C(C)(C)C)cc2)no1 453054705 BNBNEGAODRGHJU-SGTLLEGYSA-N 295.386 3.759 30 20 CHED CCc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 276158796 CZWFTCMFVDYAPM-CQSZACIVSA-N 264.372 3.971 30 20 CHED C=CCCC1(C(=O)N(C)[C@@H](C)c2ccccc2)CC1 361481577 OMNHZTODJWWNPB-AWEZNQCLSA-N 257.377 3.952 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H](c2ccccc2)C1 455323738 KXLUZDKFIGYDRK-MRXNPFEDSA-N 272.392 3.542 30 20 CHED C[C@H]1C[C@@H](CCNc2ccc(C#N)c(Cl)c2)CCO1 543208586 SIODQMSLUVLXPV-RYUDHWBXSA-N 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N#CC1(COC(=O)[C@H]2CCC[C@@H]2c2ccccc2)CCC1 835311864 YRMOAIHXYLGGPQ-CVEARBPZSA-N 283.371 3.807 30 20 CHED C=CCCCOC(=O)[C@@H](C)Oc1cc(C)ccc1Cl 735531074 VTGJDVRMKMLZSQ-GFCCVEGCSA-N 282.767 3.925 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2cccc(C#N)c2)[C@H](C)C1 736027315 BDIPSGKHYKSNSG-LALPHHSUSA-N 257.333 3.540 30 20 CHED N#Cc1ccccc1CSCc1ccc(C(=O)O)s1 833075084 LFBXLYNVUZATGB-UHFFFAOYSA-N 289.381 3.751 30 20 CHED Cc1nc2ccccc2nc1CSCC1(CC#N)CC1 596321503 IKPWZKYKSYPKKT-UHFFFAOYSA-N 283.400 3.865 30 20 CHED N#CC[C@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1 595621911 ZMDZPLIBQXSDTD-CQSZACIVSA-N 297.427 3.936 30 20 CHED Cc1nc(Cl)cc(NN=Cc2cccc(C)c2C)n1 741765250 BLNAZCNIFOJIDO-UHFFFAOYSA-N 274.755 3.501 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1csc2cc(C)ccc12 594086948 GANFVOIJJDMCNF-LLVKDONJSA-N 272.373 3.584 30 20 CHED CCc1cnccc1[C@@H](C)N[C@H](C#N)c1ccccc1 595428019 YQYYRSNQTJQFFS-CXAGYDPISA-N 265.360 3.559 30 20 CHED N#Cc1ccc(F)c(CNC/C=C/c2ccccc2)c1 742381884 QFTRWROSXQLBMB-QPJJXVBHSA-N 266.319 3.500 30 20 CHED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1cccc(C#N)c1 597330822 XASKMZGPHHMJRX-CQSZACIVSA-N 295.386 3.600 30 20 CHED CCCc1cccc(CN2CCC[C@@H](CC#N)C2)c1 597178442 XEDWFHUODRMILV-INIZCTEOSA-N 256.393 3.765 30 20 CHED N#Cc1ccc(NCc2cccc(F)n2)c(C(F)(F)F)c1 747847814 RNRDIODDEMSVBE-UHFFFAOYSA-N 295.239 3.723 30 20 CHED CCC[C@H](C)CC(=O)O[C@H](C)c1ccc(C#N)cc1 748677628 PWXZNIRBUZCURV-QWHCGFSZSA-N 259.349 3.989 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 679235658 XABYMDYXSDHKAY-UHFFFAOYSA-N 287.363 3.991 30 20 CHED C=C(C)CCNC(=S)Nc1ccc(Br)cc1 840792615 MNANGGQMUPQADB-UHFFFAOYSA-N 299.237 3.702 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 590175181 SGQKGQOPCIQQLM-HZPDHXFCSA-N 278.440 3.975 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccncc1Cl 842853896 IOAAVMPXQVOBIY-UHFFFAOYSA-N 265.740 3.547 30 20 CHED N#CCOc1ccc(CN2CCCc3c(F)cccc32)cc1 748824024 DVZMZQKUGALAGF-UHFFFAOYSA-N 296.345 3.681 30 20 CHED CC(C)(C#N)CNC(=O)N1CCC[C@@H](C2CCCCC2)C1 596550441 PVGKRBAHHNCCKM-OAHLLOKOSA-N 291.439 3.538 30 20 CHED C=CCc1cc(OCC)cc(CN2CCC[C@H](C)C2)c1O 919935249 CHFLVMPHDCDUDJ-AWEZNQCLSA-N 289.419 3.751 30 20 CHED C=C(C)CN1CCC(N[C@H]2c3ccccc3CC[C@H]2C)CC1 678769133 LOYWLDJMIXBSDZ-OXQOHEQNSA-N 298.474 3.940 30 20 CHED C=CCCSCC/N=C\c1ccc(OCC)cc1O 849170474 PSKMKOUWTHJGRL-VBKFSLOCSA-N 279.405 3.519 30 20 CHED CC(C)COC[C@@H](N[C@@H](C#N)c1ccccc1)c1ccco1 595425090 JAUVJBREABROPV-DLBZAZTESA-N 298.386 3.848 30 20 CHED C[C@H](CSc1ccccc1)N(C)Cc1ccc(C#N)cn1 594015057 CRKNQDNBPXIATK-CQSZACIVSA-N 297.427 3.566 30 20 CHED CCOc1ccc(O)c(/C=N/CC(C2CC2)C2CC2)c1 743044141 FVWVNHQLBWODHW-VCHYOVAHSA-N 273.376 3.646 30 20 CHED Oc1ccccc1/C=N\CCc1ccc(Cl)s1 915982838 FDCGUKBAFDTEFQ-DHDCSXOGSA-N 265.765 3.769 30 20 CHED COc1ccc(-c2cccc(C3(C#N)CC3)c2)cc1OC 592986175 WUJFLZXMIVZEIU-UHFFFAOYSA-N 279.339 3.926 30 20 CHED CCCCCCCCCN(C)CN1C(=O)CC12CCC2 743359983 ZIYJVIUHIJETAO-UHFFFAOYSA-N 280.456 3.781 30 20 CHED CCN(CCO)N=C(CCC(C)C)c1ccc(Cl)cc1 842535828 VZTZHYBXYWPVQU-UHFFFAOYSA-N 296.842 3.795 30 20 CHED C=C[C@@H](C)ONC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 846549165 NELKHRRQEPVHIQ-NWDGAFQWSA-N 281.783 3.531 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(C)cc(C(F)(F)F)c1 683087395 AUJIFIMKHXIRPN-SECBINFHSA-N 272.270 3.710 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)[C@@H](N)c2ccccc2)n1 843235221 LVWMPOGUIJEODY-TZMCWYRMSA-N 285.391 3.727 30 20 CHED CCCCCCCCCC(=O)Nc1cnn(CC)c1 914867284 VOAUTYNAXDFZLV-UHFFFAOYSA-N 265.401 3.982 30 20 CHED C[C@H](OC(=O)c1cc(Cl)nc(C2CC2)c1)C(C)(C)C#N 847668170 SJGQAYIGOVDDEF-VIFPVBQESA-N 292.766 3.707 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cnc(C)nc1C 741450932 GUUZLNPUOQIPMU-UHFFFAOYSA-N 297.387 3.539 30 20 CHED C[C@@H]1SCC[C@H]1/N=C/c1c(O)ccc2ccccc12 843263238 IXBUIQDSDFGQNP-PJAJIIQDSA-N 271.385 3.858 30 20 CHED CCCC/N=C(/NCc1ccc(C)s1)NC(C)(C)C 912497272 OFRKVKGEDPWZEB-UHFFFAOYSA-N 281.469 3.690 30 20 CHED C#CCOc1ccc(C(C)=NNc2ccc(Cl)nc2)cc1 743450414 PNQJZHIUYDUXEO-UHFFFAOYSA-N 299.761 3.583 30 20 CHED C=CCC[C@@H](NCc1nnc(CC)s1)c1ccccc1 680074960 DENUSOWIBXDWHP-CQSZACIVSA-N 287.432 3.898 30 20 CHED COc1ccc([C@H](C)/N=C/c2cc(OC)ccc2O)cc1 745624362 JYTWDQQARMWCFF-HWQJWEFDSA-N 285.343 3.590 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccccc1NC1CCC1 593813005 KSZAQAFSGIFGGI-UHFFFAOYSA-N 297.383 3.836 30 20 CHED COCCON=Cc1ccc(OCc2ccc(C)cc2)cc1 748789434 QZPLZLKKCLEUDW-UHFFFAOYSA-N 299.370 3.571 30 20 CHED Cc1ccccc1C1(NCc2ccc(C#N)cc2F)CC1 592139912 PRMZKUAUKRTZML-UHFFFAOYSA-N 280.346 3.785 30 20 CHED C=CCCCON=Cc1cccc(OCc2ccncc2)c1 740873020 WRQVRNSDQBVPRI-UHFFFAOYSA-N 296.370 3.977 30 20 CHED C/C(=C\C(=O)OCc1ccc(C#N)cc1)c1ccc(F)cc1 743072005 QAOLUUWZHIYMGX-JLHYYAGUSA-N 295.313 3.844 30 20 CHED CC[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 596097959 PKNAGKSJVAKWAA-HOTGVXAUSA-N 299.418 3.515 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)/C=C\C1CCCC1 843609545 YTIGNAGQALQVFP-LECLMCCNSA-N 294.398 3.798 30 20 CHED C=C(C)CCOC(=O)c1nc(-c2cccs2)oc1C 744304617 SUEVZLOCFFOJQY-UHFFFAOYSA-N 277.345 3.835 30 20 CHED N#CC1(CC(=O)OCCCCCF)CCCCC1 849906852 KTBDWARLXIKNLA-UHFFFAOYSA-N 255.333 3.534 30 20 CHED Fc1ccc(C=NNc2nc(C(F)(F)F)cs2)cc1 755906456 YOFHYRZTKASUET-UHFFFAOYSA-N 289.257 3.747 30 20 CHED FC(F)(F)C1CCC(=NNc2ncc(Cl)cn2)CC1 857220746 MLFOAOBDZGXCCI-UHFFFAOYSA-N 292.692 3.650 30 20 CHED CSc1ccc(C(C)=NO[C@@H]2CCCCO2)cc1 755821207 ZHIIAFRNIJERMC-CQSZACIVSA-N 265.378 3.676 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)O[C@H](C)CC(C)(C)C#N 851206334 QQHUWWAKLHYRBT-YWPYICTPSA-N 251.370 3.684 30 20 CHED CC1(C)CCC[C@@H](C(=O)Oc2ccc(C#N)cc2)C1 756482502 SEVRQDVJQQDEPX-CYBMUJFWSA-N 257.333 3.680 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC2(CCCCC2)C1 680643396 BALCIEVHYAQFRG-CQSZACIVSA-N 264.413 3.707 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)OCCCC#N 753560914 JSCGDKLLPUVLDL-UONOGXRCSA-N 271.360 3.823 30 20 CHED COc1ccc(C(=O)/C=C/c2c(F)cccc2F)c(O)c1 757472596 PJVLTNABSGEKME-BQYQJAHWSA-N 290.265 3.575 30 20 CHED C=C(C)COCCN[C@@H](c1ccc(C)cc1)c1ccccn1 925531761 NMYUIIXDEFFWSM-IBGZPJMESA-N 296.414 3.662 30 20 CHED CCCCCCCCNC(=O)NC1CCSCC1 754855584 MDMAWOMWPKIGQI-UHFFFAOYSA-N 272.458 3.542 30 20 CHED C[C@@H]1C(=NNc2cc(F)cc(Cl)c2)CC[C@@H]1CC(=O)O 853395772 KKZQHXFEQRLFDB-DTWKUNHWSA-N 298.745 3.768 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 753423947 MGLMKPGSQWKIFF-INIZCTEOSA-N 282.343 3.553 30 20 CHED C#CCCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@H](C)CC 758089886 YJGYDHOSZCYYGE-CXAGYDPISA-N 297.402 3.570 30 20 CHED COc1ccc(C=NNc2cccc(Cl)c2F)cc1O 921137518 AMGWUEJUFSMRBZ-UHFFFAOYSA-N 294.713 3.639 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)C1CC2(CC2)C1 850748852 RBSOINUTAUSPSG-UHFFFAOYSA-N 272.344 3.519 30 20 CHED CC(C)(C(=O)Oc1ccc(C#N)cc1)C1CCCC1 757921878 VYGVHZAYCGKWJX-UHFFFAOYSA-N 257.333 3.680 30 20 CHED N#CC1(CC(=O)O[C@H](C2CC2)C(F)(F)F)CCCCC1 850886072 VYPYJCUHGOVKTQ-GFCCVEGCSA-N 289.297 3.735 30 20 CHED C#CCN[C@H](c1cccc(OC)c1)c1ccccc1Cl 754308105 LHQYJRRITYKREE-QGZVFWFLSA-N 285.774 3.661 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1O 850487499 HHCGXAPIHSHWSV-QGZVFWFLSA-N 280.371 3.547 30 20 CHED C(=NOCCC1CC1)C1CCN(Cc2ccccc2)CC1 853351370 CWFDOQHFKZUOBD-UHFFFAOYSA-N 286.419 3.701 30 20 CHED N#C[C@H](COC(=O)/C=C\c1ccsc1)Cc1ccccc1 750782442 ILJQCWQQXKCGGE-MWWKQMNYSA-N 297.379 3.687 30 20 CHED Fc1ccccc1-c1n[nH]cc1C=NOCc1ccccc1 755633616 WUWZBJCOWOZZRX-UHFFFAOYSA-N 295.317 3.767 30 20 CHED CCc1ccc(/C=C\C(=O)c2cc(O)ccc2O)s1 757468797 XRCLJIRSJZDMMF-VURMDHGXSA-N 274.341 3.618 30 20 CHED C[C@@H]1CC(F)(F)CCN1CCCCC1(C#N)CCC1 931254976 POZFQDMLUNMQKL-CYBMUJFWSA-N 270.367 3.970 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1ccc(F)cc1O 757476341 PXWXBOZQIHFHGO-FPYGCLRLSA-N 260.239 3.567 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCC[C@@H]1C(C)C 933065611 FCIXWBCFINYNEQ-MRXNPFEDSA-N 270.376 3.517 30 20 CHED CC[C@H](CC#N)NC1CC(c2cccc(Cl)c2)C1 54183502 QHYCZPUBEPYEPL-HNFVBEJKSA-N 262.784 3.868 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H]1CCC(C)(C)C1 935765966 WBDSEAVIEZJLSR-AWEZNQCLSA-N 270.376 3.517 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1cccc(C(C)C)c1 863082850 QQNWQTYOVIUBDF-UHFFFAOYSA-N 282.347 3.814 30 20 CHED CC#CCCCC(=O)N1CCCc2cc(C)cc(C)c21 767097402 VFOATEMXDYRGPI-UHFFFAOYSA-N 269.388 3.776 30 20 CHED CC(C)O[C@H]1CC(=NNc2ccc(Cl)nc2)C1(C)C 764907773 BFEQFGFWOCTANL-LBPRGKRZSA-N 281.787 3.726 30 20 CHED CCCCCCCC(=O)NCCc1ccc(F)cc1 935893123 PHNXIZTUONZLJF-UHFFFAOYSA-N 265.372 3.845 30 20 CHED CC(=O)c1ccccc1N[C@@H](C)c1cccc(C#N)c1 863996946 MPWYDMJFFXBFJG-LBPRGKRZSA-N 264.328 3.934 30 20 CHED CCCCCCCC(=O)NC[C@H](c1ccccc1)N(C)C 935884752 ZKMYILKYEPPDIL-QGZVFWFLSA-N 290.451 3.766 30 20 CHED CCCCCCCNc1cc2c(cc1OC)CCC(=O)N2 767626487 MFZUPQCZKWTSOB-UHFFFAOYSA-N 290.407 3.962 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1c(C)cccc1C 765976486 JHLSADKOOUXQAS-OAHLLOKOSA-N 276.376 3.890 30 20 CHED CCC(C#N)(CC)C(=O)OCCCc1cccc(OC)c1 860198314 XGGRZXNXPBGIKT-UHFFFAOYSA-N 289.375 3.501 30 20 CHED Cc1ccc(Cl)cc1C(=O)N[C@H](C#N)C1CCCCC1 133037669 VFHWNKKSWDTKLH-OAHLLOKOSA-N 290.794 3.851 30 20 CHED COc1cc(NC(=O)C2CCCCCC2)c(F)cc1C#N 1119492450 VPMLBGXZIDLGCC-UHFFFAOYSA-N 290.338 3.615 30 20 CHED CCCCCCC(=O)COc1ccc(C#N)c(C)c1 766068732 RSDCGBSRYISZMN-UHFFFAOYSA-N 259.349 3.785 30 20 CHED Cc1ccc(C=NNC2CCCC2)cc1Br 767908281 PIHJTBNUBYRQSB-UHFFFAOYSA-N 281.197 3.624 30 20 CHED C[C@H](C#N)COC(=O)c1ccccc1N(C)c1ccccc1 770932492 YKPRKWUMGVLWSR-CQSZACIVSA-N 294.354 3.771 30 20 CHED Cc1ccc(F)cc1/C=C1\CC(=O)Nc2ccccc2C1=O 774145602 PTTCKKQVATVMSQ-MDWZMJQESA-N 295.313 3.743 30 20 CHED N#C[C@@H](OC(=O)Cc1ccc2c(c1)CCC2)C1CCCCC1 776368121 QJULBFKRIFVKGJ-GOSISDBHSA-N 297.398 3.733 30 20 CHED C=CCN(C(=O)c1ccc2nc(C)ccc2c1)C(C)C 773011627 AVNMAWWDKOWWSA-UHFFFAOYSA-N 268.360 3.580 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1 776864280 JEUDMIDAGFWMKQ-XHSDSOJGSA-N 296.455 3.578 30 20 CHED C[C@H](C#N)Oc1ccccc1NC[C@@H]1CC1(Cl)Cl 779742690 LUIUYWDXOZDMEE-ZJUUUORDSA-N 285.174 3.583 30 20 CHED C=CCOC(=O)CCCc1cccc(C(F)(F)F)c1 770428458 SLYMTFDXDBFKGB-UHFFFAOYSA-N 272.266 3.757 30 20 CHED O=C1/C(=C/c2cnc3ccccn23)CCc2ccc(F)cc21 776192137 IMAAGUDTONEYGB-UKTHLTGXSA-N 292.313 3.686 30 20 CHED Fc1ccc(C=NNc2c(Cl)cccc2Cl)cn1 777443675 TWMYQBFJOIDPJG-UHFFFAOYSA-N 284.121 3.974 30 20 CHED Cc1cccc(-c2nc(C)c(C(=O)OCCCCC#N)[nH]2)c1 772099685 DYRWEYJKIQZNOX-UHFFFAOYSA-N 297.358 3.544 30 20 CHED C#CCOc1cccc(NC(=O)c2ccccc2CC)c1 770175604 SPXIFLOLBGXOKU-UHFFFAOYSA-N 279.339 3.513 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C#N)C1CCCCC1 776397523 OPBZWSJQGQCIDS-OAHLLOKOSA-N 261.365 3.770 30 20 CHED CC(=O)[C@](C#N)(CCN(C)C1CCCCC1)c1ccccc1 877935245 QAPHACSQYNLCSA-LJQANCHMSA-N 298.430 3.692 30 20 CHED CC(CCOCc1ccccc1)=NN[C@H](C)c1ccncc1 872381889 CNQUSOLOLUUCNQ-MRXNPFEDSA-N 297.402 3.715 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCOC[C@@H]1C#N 775488003 LJTUWEAGOLYGKX-HOTGVXAUSA-N 294.439 3.514 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 1120552972 STTPDEYYMAISPF-LLVKDONJSA-N 283.318 3.822 30 20 CHED N#Cc1cc(C(=O)OCc2sccc2Cl)cs1 1128427286 JPKUBFSRBIBANQ-UHFFFAOYSA-N 283.761 3.692 30 20 CHED CC1(C)CCC(C)(CNC(=O)c2csc(C#N)c2)CC1 1129911504 MBRYMVVPJXXZFL-UHFFFAOYSA-N 290.432 3.956 30 20 CHED COC1CCC(=NNc2nc3ccccc3s2)CC1 783771081 BELFNXLUULYIDE-UHFFFAOYSA-N 275.377 3.653 30 20 CHED C#CCCCCCC(=O)Nc1n[nH]c(C)c1-c1ccccc1 780449328 BHYHOKUFJZDQRL-UHFFFAOYSA-N 295.386 3.907 30 20 CHED C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@](F)(C#N)C1 786439297 YXJHUSYXZKMFID-ZWNOBZJWSA-N 286.272 3.704 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)CC1 889941459 VXLJEOZHTLVTNS-RHSMWYFYSA-N 284.403 3.738 30 20 CHED Cc1nnc(NC2CCC(C(C)C)CC2)c(C#N)c1C 1559134425 UNCWKYXLMUDXOC-UHFFFAOYSA-N 272.396 3.592 30 20 CHED CN(CCCCC(C)(C)C#N)CC[C@@H]1CCCCN1C 409446532 ZHJPLEFMTNCCBA-INIZCTEOSA-N 279.472 3.513 30 20 CHED CC(C)[C@H](F)C(=O)Nc1cc(C(C)(C)C)sc1C#N 784139105 WBIQYOOHELYPNT-LBPRGKRZSA-N 282.384 3.850 30 20 CHED C=C(C)CCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1120705203 URSQJHZTXCCYKH-UHFFFAOYSA-N 295.304 3.529 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1cc(C#N)c(F)cc1F 880715769 HNKQMEFTMXWICO-JTQLQIEISA-N 295.333 3.736 30 20 CHED C=CCCCCCOC(=O)c1c(F)ccc(F)c1OC 784099825 UNAKIXNDOOPTAR-UHFFFAOYSA-N 284.302 3.877 30 20 CHED C[C@@H](Cc1cccc(F)c1)N[C@@H]1CCc2cc(C#N)ccc21 787028127 UBQYVFROTQBCCJ-ORAYPTAESA-N 294.373 3.905 30 20 CHED Clc1ccc2c(c1)C(=NNCCc1ccccn1)CCC2 789124791 MIOKZPJBZBCEID-UHFFFAOYSA-N 299.805 3.608 30 20 CHED CCCCOc1ccc(C(C)=NOC[C@@H]2CCOC2)cc1 789051173 QMDDSKWZNZSHSF-OAHLLOKOSA-N 291.391 3.643 30 20 CHED N#Cc1ccc(CSc2cc(Cl)ccn2)cc1 91365529 XLXHFYLNOFFBCC-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CSc1ccccc1NCc1cc(C#N)cs1 93685988 XJCKBPKHSHORKW-UHFFFAOYSA-N 260.387 3.954 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc2occc2c1 1132489899 KWHHDUSOCLTJBE-UHFFFAOYSA-N 268.297 3.618 30 20 CHED C#CCCCCC(=O)OCc1c(C)cc(C)cc1F 785918090 PAOGRNROUKZCPV-UHFFFAOYSA-N 262.324 3.679 30 20 CHED Cc1ccccc1[C@H](O)CNc1ccc(C#N)c(Cl)c1 301220900 BPGYQUJIGCIMGS-MRXNPFEDSA-N 286.762 3.666 30 20 CHED C#CCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 245795490 AJHZMMAGLWQYNP-HRCADAONSA-N 261.409 3.513 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC)c(COCC)c1 798502657 UVUGTRWRKJSNSG-INIZCTEOSA-N 277.408 3.676 30 20 CHED Cc1cc(/C=C2\CCc3ccc(O)cc3C2=O)ccc1C#N 794960506 UHBOECCWNPGJHS-OQLLNIDSSA-N 289.334 3.785 30 20 CHED O=C1C(=Cc2ccsc2Cl)C(=O)c2ccccc21 790210374 DKXZCTBBDGHZAQ-UHFFFAOYSA-N 274.728 3.864 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)c(Cl)c1 893195427 YPXNROAOJSYFQA-SWLSCSKDSA-N 276.767 3.581 30 20 CHED CCO[C@@H]1CCC[C@@H](Nc2cccc(CC#N)c2)C1 721166964 LIRCOSKRMMCDAU-HZPDHXFCSA-N 258.365 3.512 30 20 CHED C#CCSCCN[C@H](C)c1ccc2ccccc2c1O 186070555 XPZUYRLZELWIAC-CYBMUJFWSA-N 285.412 3.562 30 20 CHED Cc1c([N+](=O)[O-])ccc(F)c1NCc1cccc(C#N)c1 799972025 CHVZGUZVUWWFSU-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1ccc(Cl)cc1 187518071 SUXOPOZFTWJJRC-UHFFFAOYSA-N 292.810 3.813 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1cccc(C)c1 599998822 IMJSKOYYSGWPEL-ZDUSSCGKSA-N 258.365 3.502 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NN[C@H](C)C(C)(C)C 793115264 LYAHRBBZVQLMFU-SNVBAGLBSA-N 284.835 3.555 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc3c(c2)CCCC3)C1 597177457 MMVPNWJYPGKFGA-OAHLLOKOSA-N 268.404 3.691 30 20 CHED CC1(C)CCCN(C(=O)c2ccsc2Cl)[C@@H]1C#N 597567830 IGNBSQSUCZEYQT-SNVBAGLBSA-N 282.796 3.556 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 798017267 KYLUANMGJWWIBT-SMDDNHRTSA-N 293.769 3.501 30 20 CHED C[C@@H](NN=C[C@@H]1CCOc2ccccc21)C(C)(C)C 793118023 ZFUBJXCIZCPSPS-OLZOCXBDSA-N 260.381 3.563 30 20 CHED COCCCON=C1CCC(c2ccccc2)CC1 795052825 BAESRCQLOQCXTD-UHFFFAOYSA-N 261.365 3.753 30 20 CHED C[C@@H]1CSCC1=NNc1ccc(Br)cc1 794888666 QYTIVWPPVYZHFA-MRVPVSSYSA-N 285.210 3.600 30 20 CHED CCCCCCCS(=O)(=O)NC1(c2ccccc2)CC1 799768992 MOIIQMKUORBZRP-UHFFFAOYSA-N 295.448 3.566 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C 796459522 YDBRVGBQSFCIFP-JYJNAYRXSA-N 263.425 3.759 30 20 CHED CCCCCCCOC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 795818825 FRPCRUBWFKTQSE-QGZVFWFLSA-N 298.386 3.754 30 20 CHED COCCCON=Cc1ccc(-c2ccccc2)cc1OC 795050732 HGTJIKPHAIDVFV-UHFFFAOYSA-N 299.370 3.749 30 20 CHED CC1(C)CCCN(c2c(C#N)cnc3ccccc23)C1 70260842 KXUYQSHPUQTYTH-UHFFFAOYSA-N 265.360 3.733 30 20 CHED CC(=NOC(C)(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 1319576802 IGAYEEVUOZTILW-LLVKDONJSA-N 278.352 3.964 30 20 CHED Fc1ccc(CNN=Cc2ccccc2C2CC2)cc1 1323963403 OYRSEPUIMLWYLF-UHFFFAOYSA-N 268.335 3.827 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](OC)[C@@H](C)C1 1324536937 QPPQQYPFRUJCKQ-GJZGRUSLSA-N 269.429 3.620 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1oc2ccccc2c1C 1320592973 VOAGGCHQYLXAHD-OLZOCXBDSA-N 259.349 3.593 30 20 CHED COc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)ccc1F 1326680985 PXGMIWYRXDTWJP-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(N)cc1Cl 1324142669 JTAHQQNCNDGAKN-UHFFFAOYSA-N 277.730 3.816 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)[C@@H]1CCCOC1 1320041965 UVASSCADCHCSPN-GFCCVEGCSA-N 266.772 3.863 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 1338984949 WWBUTNFJIZLUOO-GDBMZVCRSA-N 275.367 3.934 30 20 CHED CN(C)[C@@H]1CCCC[C@H]1/N=C/c1c(O)ccc2ccccc12 1338806189 KMVMWZNNFGHHID-WLWPOCPESA-N 296.414 3.837 30 20 CHED CC[C@@H]1CN(CCC2(C#N)CCCCC2)[C@H](CC)CO1 1195863065 PWRRGDWKCPPWPV-HZPDHXFCSA-N 278.440 3.740 30 20 CHED Cc1cc(C)cc(C2(C(=O)O[C@@H]3CC[C@H](C#N)C3)CC2)c1 1342576753 XTIPZZSCRNIQOR-GOEBONIOSA-N 283.371 3.571 30 20 CHED N#Cc1cc(CN(c2ccccc2)C2CC2)ccc1F 1194368179 CJEFOXOUBOTUAS-UHFFFAOYSA-N 266.319 3.866 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)OCc1cc(C#N)ccc1F 1355240777 GTZOPEGFKXRTPD-DZGCQCFKSA-N 289.350 3.957 30 20 CHED Cc1cc(F)c(C(=O)Nc2cc(F)cc(C#N)c2)c(F)c1 1287804465 XYQJNALOYAYDMU-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC[C@H](C)OCC(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1519365413 LIEYVMDNRJEBQZ-ZOWXZIJZSA-N 295.404 3.697 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2ccc(Cl)cc2C)n1 1528283666 NMKSHCUCWIHGMV-UHFFFAOYSA-N 299.761 3.784 30 20 CHED O=C(O)c1ccc(NN=Cc2cccs2)cc1Cl 1608903662 CMOMXCLNIPNWAA-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CCC(C#N)(CC)C(=O)NCC1CCC(C(C)C)CC1 1533232552 GBHOFFZLSXRGBV-UHFFFAOYSA-N 278.440 3.895 30 20 CHED CN(CCCF)C(=O)c1ccccc1-c1ccccc1C#N 1537996070 XLKBQIFBHDQRJC-UHFFFAOYSA-N 296.345 3.657 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CSc1ccccc1Cl 1536522590 YIAJFYSHNOCENK-LLVKDONJSA-N 296.823 3.583 30 20 CHED CC(C)N(CCC#N)Cc1cccc(OC(C)(C)C)c1 1474337019 RXOLNVNUKBVYTE-UHFFFAOYSA-N 274.408 3.988 30 20 CHED C=C(CNC(=O)NC[C@@H]1CCC[C@H]1CC)c1ccccc1 1478663065 YENXWURQKQJRIB-WBVHZDCISA-N 286.419 3.825 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(C(F)F)cc2)c1 1627045191 VSYUNBDLOMIMSB-UHFFFAOYSA-N 286.281 3.943 30 20 CHED C=C(Br)CN1CCC(C)(c2ccccc2)CC1 1559657060 UKOAFDCFGUVQSU-UHFFFAOYSA-N 294.236 3.949 30 20 CHED N#Cc1cccc(CSc2nc3ncccc3s2)c1 1641344189 FWRNBGGBYPEUPX-UHFFFAOYSA-N 283.381 3.855 30 20 CHED CCc1ccc2c(c1)CCN2c1cc(C)ncc1C#N 1640521279 WEUOPUNCYWPPCR-UHFFFAOYSA-N 263.344 3.518 30 20 CHED N#CCC[C@@H](Nc1ncc(C#N)cc1F)c1ccccc1 1642468568 OLQFJRVZOMNEJW-OAHLLOKOSA-N 280.306 3.549 30 20 CHED N#Cc1nc(Sc2cccc(F)c2C#N)sc1Cl 1642862479 CDVKPRMZMMZDMG-UHFFFAOYSA-N 295.751 3.830 30 20 CHED COc1ccc([C@H](C)OC(=O)c2cc(C#N)ccc2F)cc1 1584215374 XQBFWOOPNFSREF-NSHDSACASA-N 299.301 3.624 30 20 CHED COC(=O)[C@@H](CC(C)(C)C)Sc1ccc(C#N)c(C)c1 1652912713 STWYHAXZNSGDNR-CQSZACIVSA-N 291.416 3.937 30 20 CHED CC1(CN2CCC(c3ccc(C#N)cc3)CC2)CCC1 1654933008 XBCZRRNEJUZGQN-UHFFFAOYSA-N 268.404 3.928 30 20 CHED Cc1ccc(F)c(CN(C)CCc2ccc(C#N)cc2)c1 1654312333 NGGFCZMOUPJQMF-UHFFFAOYSA-N 282.362 3.680 30 20 CHED C=CC[C@H](Sc1ccc2ccccc2c1)C(=O)O 1588757954 CTMWEWHZRRPVOL-AWEZNQCLSA-N 258.342 3.961 30 20 CHED CCC(=NNc1ccc(C(=O)O)c(Cl)c1)C(C)C 1594694337 VHYJUNFMVDMEDP-UHFFFAOYSA-N 268.744 3.872 30 20 CHED CN(C(=O)Nc1cc(C#N)ccc1F)C1CCCCCC1 1678267203 YBDBGNASEUHCDI-UHFFFAOYSA-N 289.354 3.884 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1sccc1C#N 1671445477 QUVIWWAUBRUZAT-JTQLQIEISA-N 265.382 3.566 30 20 CHED COc1ccc(C(=O)O)cc1/C=C\C(=O)c1cccc(C)c1 1776127156 JGDSICPNOMJYIP-VURMDHGXSA-N 296.322 3.598 30 20 CHED C=CCc1ccccc1C=NNc1ccc(C(=O)O)cc1 1776014508 TWSQJMJXDIPYMG-UHFFFAOYSA-N 280.327 3.559 30 20 CHED CCOc1ccc(C=NNc2cccc(C(=O)O)c2C)cc1 1776086344 OPOBLFMBZVMBNW-UHFFFAOYSA-N 298.342 3.538 30 20 CHED C=CCCCCN1C[C@@H](C(=O)O)C[C@H](c2ccccc2)C1 1776207677 BJRKQZWYMLCIIX-IRXDYDNUSA-N 287.403 3.533 30 20 CHED CCc1cc(C(=O)Nc2ccc(C#N)c(C#N)c2)sc1C 150789951 LDAWEGWEFDWJCQ-UHFFFAOYSA-N 295.367 3.615 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(-c2ccc(F)cc2)n1 161967254 LUMUUZGVIKCGSQ-LLVKDONJSA-N 289.379 3.683 30 20 CHED C=CCC[C@H](NC(=O)C[C@H](C)SC)c1ccccc1 152557507 IKIZFLHJFBPJLN-ZFWWWQNUSA-N 277.433 3.952 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc2occc2[nH]1 152512239 CSYYZWGAWBPJMV-UHFFFAOYSA-N 286.375 3.969 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1ccc(Br)cc1 155315742 ZFBUUCOHSAFKPT-NEPJUHHUSA-N 295.224 3.992 30 20 CHED C[C@@H](c1ccccc1F)N(C)c1ccc([N+](=O)[O-])c(C#N)c1 156421458 KUYVRYVLURXZLW-NSHDSACASA-N 299.305 3.803 30 20 CHED N#Cc1ccc(C(=O)N(c2ccccn2)C2CCCC2)cc1 154522455 ZDFKXHGGDBBLAT-UHFFFAOYSA-N 291.354 3.543 30 20 CHED COCCOc1cccc(/C=C\C(=O)c2ccc(C)cc2)c1 207184959 UKVIVTYQJTVVNN-FLIBITNWSA-N 296.366 3.916 30 20 CHED Cc1ccc(NCc2ccc(C#N)cc2F)c(F)c1 20369372 QUJDTLODNIYONL-UHFFFAOYSA-N 258.271 3.757 30 20 CHED COc1cc(CN(C)[C@@H](C)c2cccs2)ccc1C#N 234934296 LTULHAIJBTXGQV-LBPRGKRZSA-N 286.400 3.821 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)Cc1cccc(C#N)c1 248039710 KNOUTVOXFMNLPV-CYBMUJFWSA-N 268.335 3.890 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@H]2c2ccccc2)c1Cl 236051961 UKMPLFGWLYYSEY-STQMWFEESA-N 269.735 3.575 30 20 CHED N#Cc1ccc(NCc2ccccc2OC(F)F)cc1 19951556 XNLBJAZMOIDULC-UHFFFAOYSA-N 274.270 3.772 30 20 CHED CCN(C[C@H](C)C#N)c1ncc(C(F)(F)F)cc1Cl 42449999 SYWXUHRFFQMYGI-MRVPVSSYSA-N 291.704 3.740 30 20 CHED COc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 37393374 GAAWNPYFPAXKKB-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CC(C)(CCC#N)CNc1cc2c(cc1Cl)OCCO2 162135429 NKPGBVNXXZZURB-UHFFFAOYSA-N 294.782 3.853 30 20 CHED C=CCC(C)(C)CNCc1cc(COC)cs1 657473542 MTVCKHMRMXOYKB-UHFFFAOYSA-N 253.411 3.586 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)nn2)CC1 302531431 LKWOLXGPFIBKMC-OLZOCXBDSA-N 272.396 3.755 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1csc(Cl)c1 309577188 PHPVHPKNBOFNQD-VIFPVBQESA-N 254.786 3.746 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)o2)cc(C)c1Cl 512706252 XOBBPHQIQNEZAO-UHFFFAOYSA-N 274.707 3.674 30 20 CHED N#Cc1cccc(NCc2ccc(C(F)(F)F)cc2)n1 80117337 GMQVVKWPGFVLNV-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CC(C)(C)[C@@H](NCc1cccc(OCC#N)c1)C1CC1 324120705 PXRKGDFSUULUCI-INIZCTEOSA-N 272.392 3.503 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccn(C(C)C)n1 88154882 WYIJZLFSWWNRPY-UHFFFAOYSA-N 269.348 3.532 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(O)cc1F 436989036 LJDGKBKLBYOBQA-UHFFFAOYSA-N 299.345 3.750 30 20 CHED COCC(C)(C)CNc1ccc(C#N)c(C(F)(F)F)c1 380953546 UQIMCOCFUFNPLH-UHFFFAOYSA-N 286.297 3.662 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(Cl)ncc1Cl 717672916 KAQRPJOIHBATDT-UHFFFAOYSA-N 287.190 3.863 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2CCCCCCC2)c1 720284450 SMSIHJKSKGNNPG-UHFFFAOYSA-N 274.339 3.996 30 20 CHED C#CCOc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 108521778 QYOUQFNBJMBJJS-CQSZACIVSA-N 294.354 3.581 30 20 CHED C=CCOCCCC(=O)Oc1cccc2ccccc12 173141005 QZRISJGNEWJBLP-UHFFFAOYSA-N 270.328 3.728 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)cc1 107980953 BSLRAXYXGADQNG-WDZFZDKYSA-N 266.296 3.589 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccccc1)c1cccnc1 175564599 SFEISIYFECOQQP-SFHVURJKSA-N 280.371 3.644 30 20 CHED CCCC(C)(C)NCc1ccc(O[C@@H](C)C#N)cc1 111387293 LQGFSMXFEHYBPP-ZDUSSCGKSA-N 260.381 3.646 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1 116863723 IWHODRZHQMIWEO-QMMMGPOBSA-N 258.148 3.688 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccccc1OC 119714630 HVMDHBKKYVQORF-UHFFFAOYSA-N 281.355 3.524 30 20 CHED CC[C@@]1(C)CCCN(c2ccc(Cl)c(C#N)n2)C1 301468603 NKMCXQHEXUVWPK-AWEZNQCLSA-N 263.772 3.623 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](C)C2CC2)c1 178471400 ZUIIPPZWYXJFDA-LBPRGKRZSA-N 259.349 3.626 30 20 CHED N#Cc1ccc(N[C@H]2CCc3c(Cl)cccc32)cn1 301508083 JPENUEKNZIBKEU-HNNXBMFYSA-N 269.735 3.706 30 20 CHED CCN(CC#N)C(=O)c1ccc(-c2ccccc2Cl)o1 67687776 BOTYVSCRQUXTET-UHFFFAOYSA-N 288.734 3.586 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](C)C(C)C 171932606 VPSNOBVTSWNCKL-HNNXBMFYSA-N 259.393 3.536 30 20 CHED C=CC[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 116854579 MEPPOBIMSZGSFL-HNNXBMFYSA-N 279.383 3.899 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1C 178562265 ZLMJJQXMDUYGAX-BLLLJJGKSA-N 285.391 3.909 30 20 CHED C=CCOc1ccc(Oc2ccc([N+](=O)[O-])c(C)n2)cc1 301636764 FHSDHCADZRTZHK-UHFFFAOYSA-N 286.287 3.655 30 20 CHED C=CCCC(=O)Nc1ncc(Cc2cccc(F)c2)s1 60364929 FKLSIFZJHUBKLB-UHFFFAOYSA-N 290.363 3.778 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(C)cc1 116973135 QQOOPKDRKMKTFB-KBPBESRZSA-N 260.381 3.662 30 20 CHED CCC(C)(C)NC(=O)Nc1cc(C#N)ccc1OC(C)C 175769933 GMUJADXXVGKNGA-UHFFFAOYSA-N 289.379 3.656 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 176090953 YRUXQHJZUWWTPW-INIZCTEOSA-N 289.354 3.741 30 20 CHED CC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 27339275 JVGDZFFGTUXTNJ-CYBMUJFWSA-N 278.355 3.754 30 20 CHED O=C(CC(F)(F)F)Nc1ccc(F)c(C(F)(F)F)c1 67090981 BJCZZTHHNMEXIW-UHFFFAOYSA-N 289.150 3.735 30 20 CHED CC[C@@H](CNc1cccc(C#N)n1)Oc1cccc(C)c1 301539931 JRPPDXKPEILQJV-HNNXBMFYSA-N 281.359 3.531 30 20 CHED CC(C)n1cc(CN(Cc2ccc(C#N)cc2)C2CC2)cn1 180030089 WWBOXUKBPFGXRV-UHFFFAOYSA-N 294.402 3.500 30 20 CHED C[C@H]1CCC[C@@H](Nc2ccc(F)cc2OCC#N)C1 181540418 ZSRWOENLKSFHNE-WCQYABFASA-N 262.328 3.719 30 20 CHED CCC(CC)Sc1ccc([N+](=O)[O-])cc1C#N 301162655 UIPISWOBBWTADL-UHFFFAOYSA-N 250.323 3.747 30 20 CHED C=C(C)CN[C@H](C)c1ccc(OCC(F)(F)F)cc1 180975949 DFLJZMJODBVWRE-LLVKDONJSA-N 273.298 3.854 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)c2ccoc2)CC1 187303582 XORZLRAATGYHHU-UHFFFAOYSA-N 274.364 3.508 30 20 CHED O=C(O)c1cccc(/C=C2/CSc3ccccc3C2=O)c1 126304358 YKILFEYJDMQTOJ-LCYFTJDESA-N 296.347 3.757 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1cccc(F)c1 121193119 XZLOFXALDOJOCS-UHFFFAOYSA-N 261.340 3.553 30 20 CHED N#CCC[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1 188745623 MZJZPSCQBVJSAG-RDJZCZTQSA-N 282.387 3.894 30 20 CHED C=CCOCCCOc1cc(C)c([N+](=O)[O-])cc1Cl 506430970 FDDYZDLYIAVPIY-UHFFFAOYSA-N 285.727 3.528 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCC[C@@H]1C1CC1 412479917 RXOVLXTVHDHPEW-JKSUJKDBSA-N 261.409 3.697 30 20 CHED C=C(CC)CN(C)Cc1nc(C(F)(F)F)cs1 358510228 OYIXGHXLCZWTHX-UHFFFAOYSA-N 264.316 3.560 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](C#N)CCC#N 76514006 VIQSZIQBLLPFBW-NSHDSACASA-N 296.201 3.869 30 20 CHED C=CCNC(=O)c1ccccc1NCc1ccc(F)cc1C 181823333 WSNKTVJRPDNWCZ-UHFFFAOYSA-N 298.361 3.662 30 20 CHED C[C@@H](CCOc1ccccc1)C(=O)Nc1ccccc1C#N 75078263 XBZISRDSZYKVGK-AWEZNQCLSA-N 294.354 3.602 30 20 CHED C=CCOCCCN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 502807006 ZYCRQLJINLROCZ-RTBURBONSA-N 283.415 3.899 30 20 CHED C=CCN(C(=O)[C@@H](C)CCC)c1nc2c(s1)CCCC2 78714831 GLIKCBHGKOXNIK-LBPRGKRZSA-N 292.448 3.977 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3ncc(C#N)cc3F)C2)cc1 413259327 CXQBODYNZRQRFC-CZUORRHYSA-N 295.361 3.783 30 20 CHED CC#CCCCC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 185623556 KTTMEXJAJZNLDT-MSOLQXFVSA-N 283.415 3.708 30 20 CHED C[C@H](c1ccccn1)N(C)Cc1ccc(C#N)cc1Cl 439433306 AVRSVLLLMYRVSQ-GFCCVEGCSA-N 285.778 3.800 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(F)cc1Cl 185614433 PAXLQBORQJZFKF-SNVBAGLBSA-N 281.758 3.706 30 20 CHED C#CCCCCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 121281412 MCBQVXROZWKVBS-UHFFFAOYSA-N 294.276 3.709 30 20 CHED N#Cc1cc(Oc2ccc(F)c(Br)c2)ccn1 124867779 WGFVKELALIGIDD-UHFFFAOYSA-N 293.095 3.647 30 20 CHED CSCC(=O)Nc1sc2c(c1C#N)[C@H](C)C[C@@H](C)C2 410995973 DKJBLCXPBSFHQW-RKDXNWHRSA-N 294.445 3.607 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(CC#N)c1 77308136 GJGBVFPSOOUDIH-RDJZCZTQSA-N 284.403 3.841 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CSC[C@@H]1C 414541824 WWBLSDXCYYJQGZ-NUEKZKHPSA-N 261.434 3.515 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cccc2c(=O)n(C)ccc12 502309655 MFVWIRKYGPSGRF-OLZOCXBDSA-N 270.376 3.551 30 20 CHED C=C(C)COc1cc(CNC[C@H]2CC23CC3)ccc1OC 418100502 REGWPDVPRXCXEQ-OAHLLOKOSA-N 287.403 3.540 30 20 CHED Cc1nc(SCc2ccc(F)cc2C#N)oc1C 77566177 WRWSEWIXAYJVOU-UHFFFAOYSA-N 262.309 3.595 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1nc2c(s1)CCCC2 180947520 IXACQYVXUOZLRP-QWRGUYRKSA-N 250.411 3.637 30 20 CHED C=C(C)CCc1noc(CCOc2ccc(C)cc2C)n1 508624969 HWGKKYNPFPQOSZ-UHFFFAOYSA-N 286.375 3.817 30 20 CHED Cc1ccoc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 75300077 NFTLYTKRKBBTTB-HOTGVXAUSA-N 294.354 3.500 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1Br)C(C)C 183060507 PXSQMDWIFORVPF-UHFFFAOYSA-N 295.224 3.940 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@@H]1CCC[C@H]1C 328798078 FUHDRJJEGYUDTD-LDYMZIIASA-N 279.409 3.519 30 20 CHED C=CCOc1cccc(CNC2CCC(COC)CC2)c1 414511373 KTOVGTQUMMOAFY-UHFFFAOYSA-N 289.419 3.546 30 20 CHED Cc1cnc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[nH]1 329522885 GHJHFOMKFFOASG-RWMBFGLXSA-N 261.369 3.913 30 20 CHED C[C@H](N[C@H]1CCc2ccccc2OC1)c1ccc(C#N)cc1 509516312 NWIJFWXXOQBNDX-KSSFIOAISA-N 292.382 3.603 30 20 CHED C=CCOc1cc(OC)ccc1-c1nc(C(C)(C)C)no1 504251287 CUWFQKADIBPLCF-UHFFFAOYSA-N 288.347 3.608 30 20 CHED N#Cc1cccc(C(=O)NCc2ccc3ccccc3c2)c1 45200951 JMALFHSGNNQLOA-UHFFFAOYSA-N 286.334 3.641 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 132418250 MCVVFFVDUJCRPF-IZZDOVSWSA-N 270.303 3.868 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CCCC1 41819013 SZKIOALMVGZICJ-UHFFFAOYSA-N 298.173 3.598 30 20 CHED C=CCSCCCc1nc(-c2ccccc2)no1 190946718 CFKHKJFZSGWHMO-UHFFFAOYSA-N 260.362 3.588 30 20 CHED CC(C)(C#N)CCCN1CCC(C(F)(F)F)CC1 88420339 GXICPWZOVFDFBY-UHFFFAOYSA-N 262.319 3.591 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(O)cc2Cl)no1 424350780 BLBHQPVAGXHDIK-UHFFFAOYSA-N 278.739 3.949 30 20 CHED Cc1ncc(/C(O)=N/[C@@H]2CCCCC23CCCC3)[nH]1 329597513 CODSUBYVXIHJQT-CYBMUJFWSA-N 261.369 3.526 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1c(Cl)cccc1Cl 47380303 YMUXOOFYZZPGIW-SREVYHEPSA-N 295.169 3.931 30 20 CHED CC[C@H](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 191676425 XWSOKTSDURCKRD-LBPRGKRZSA-N 297.320 3.609 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC(F)F 425694031 VAHGSVQUSDBFCY-ZETCQYMHSA-N 290.697 3.637 30 20 CHED COC1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 130108780 SIMQFZBXLKCSJQ-UHFFFAOYSA-N 298.308 3.947 30 20 CHED CCN(CCC#N)C(=O)Nc1ccccc1C(C)(C)C 80163267 KPXCOSIYLPODSK-UHFFFAOYSA-N 273.380 3.752 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H](c3cccnc3)C2)s1 421347581 CSAYGDSHLVXGPC-DZGCQCFKSA-N 297.427 3.831 30 20 CHED CC(C)O[C@@H]1C[C@H](/N=C(/O)[C@@H]2CCC(=O)C[C@@H]2C)C1(C)C 329768627 GVDGALSNNKTIJO-PMOUVXMZSA-N 295.423 3.540 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2c[nH]nc2-c2ccccc2)CCC1=O 328928941 GWCDWRDAGWGQHW-WCQYABFASA-N 297.358 3.670 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN(C)Cc1ccc(C#N)cc1 46054168 BFSWONAKVSYZKF-QAPCUYQASA-N 286.419 3.585 30 20 CHED C#CCSCCN[C@H]1CC[C@@H](C)c2ccccc21 222113950 SLFPFXDZTXTLKC-CJNGLKHVSA-N 259.418 3.581 30 20 CHED CC(C)c1ccc([C@@H]2CCCCN2C(=O)NCCC#N)cc1 426440834 ARYWEJWTWBPZCW-KRWDZBQOSA-N 299.418 3.960 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N1CCc2ccccc21 195578834 DJTIFKNQZPIQKI-UHFFFAOYSA-N 292.382 3.857 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCc2cc(C)ccc21 429910733 PVZRALMRQXOYCC-HNNXBMFYSA-N 257.377 3.701 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 335965785 FQIIVMNOMIXNKI-AWEZNQCLSA-N 290.794 3.943 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCCC2(C)C)cc1 331077405 WENRHLUQJSLETG-OAHLLOKOSA-N 284.403 3.796 30 20 CHED C=CCCCCCOc1ccc(C(=O)N(C)C)cc1 195390044 OVKQTSDGUOIKJC-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 191746248 MDPSVLIULBOUPE-WMLDXEAASA-N 296.414 3.663 30 20 CHED Cc1ncsc1CN[C@@H]1CCCCc2cc(C#N)ccc21 336083663 HQJVRLOMAVOFNS-MRXNPFEDSA-N 297.427 3.881 30 20 CHED C=CCC1(C(=O)N(C)[C@H](C)CCSCC)CCC1 191912916 IHUGRLSZVJCICU-CYBMUJFWSA-N 269.454 3.723 30 20 CHED C#Cc1cccc(NC(=O)c2oc3ccccc3c2C)c1 144338264 PAGLJFWBAGHTGI-UHFFFAOYSA-N 275.307 3.975 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cccs1 97179510 AAUINNDJQFEKJE-ARJAWSKDSA-N 265.315 3.614 30 20 CHED N#Cc1cncc(N[C@@H](c2cccc(F)c2)C2CCCC2)n1 516920102 DCWAHRUEKOUXIX-QGZVFWFLSA-N 296.349 3.831 30 20 CHED N#Cc1ccc(CNCc2c(F)cccc2Cl)c(F)c1 237751291 YKYHQRGBPBSXTG-UHFFFAOYSA-N 292.716 3.780 30 20 CHED COc1cccc([C@H](C)NCc2cc(C#N)ccc2F)c1 148309999 ZWLXZHFRUWDUPM-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=C(C)C(C)(C)C(=O)N1Cc2ccccc2C(C)(C)C1 424758739 VMMQKWUSNSZJAC-UHFFFAOYSA-N 271.404 3.909 30 20 CHED Cc1cc(C#N)cc(N[C@H](C)c2ccc(F)cc2F)n1 339969802 UOLBSGXTXUAWPZ-SNVBAGLBSA-N 273.286 3.713 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)Cc1ccc(C)s1 337903482 LASBTKFODJFKAT-UHFFFAOYSA-N 290.436 3.594 30 20 CHED C=CCOc1cccc(CN[C@H]2CCCC[C@H]2C)c1 518248862 XLTIQQAXSQLKFX-PBHICJAKSA-N 259.393 3.920 30 20 CHED C[C@@H](c1cccnc1)N1CC=C(c2ccc(C#N)cc2)CC1 334189466 GUZUZXQGAABNNT-HNNXBMFYSA-N 289.382 3.804 30 20 CHED CC(C)(CCC#N)CN1CCC[C@@H](Nc2ccccc2)C1 93704502 XQBZBBAOHKWHOP-QGZVFWFLSA-N 285.435 3.893 30 20 CHED C=CCOC(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 140255630 BQRSFNQNIBNVPJ-OAHLLOKOSA-N 296.366 3.774 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 512944419 CKPGOTHLIRQWTF-CYBMUJFWSA-N 288.366 3.596 30 20 CHED CC(C)[C@H]1N(c2ccc(C(F)(F)F)c(C#N)n2)CC1(C)C 431507524 TUQWHZOCIVYYMR-CYBMUJFWSA-N 297.324 3.843 30 20 CHED Cc1cc(CN(C)Cc2ccsc2)ccc1C#N 618590339 UGLRHQODENPCTK-UHFFFAOYSA-N 256.374 3.560 30 20 CHED C/N=C(/O)c1cccc(NC(=O)CC2CCCCC2)c1C 330504158 DNSYUDGMJWUVQH-UHFFFAOYSA-N 288.391 3.838 30 20 CHED C=CCC[C@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 431145594 YVFXQBXRNBZVHF-INIZCTEOSA-N 282.387 3.546 30 20 CHED Cc1ccc(-c2nc(CN(C)CC(C)(C)C#N)cs2)o1 433292998 BBKWCQJQPLWSEL-UHFFFAOYSA-N 289.404 3.693 30 20 CHED Cc1cnc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)o1 432947405 CKUPCWVLEUAQIO-AWEZNQCLSA-N 298.346 3.540 30 20 CHED C[C@@H]1c2cc(F)cc(F)c2CCN1CCCSCC#N 344213784 IAQCNZFZFCYQQU-LLVKDONJSA-N 296.386 3.531 30 20 CHED C=CCOc1cccc(NC(=O)C23CCC(CC2)C3)c1 342565769 KSVDOQAFGYDGRB-UHFFFAOYSA-N 271.360 3.770 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCCc3ccccc32)C1 248944655 ZBYMJGKIXVIGAX-HYVNUMGLSA-N 268.404 3.778 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C(C)C)c(O)cc1C 436670797 HUXUJICVGVFAQW-ZDUSSCGKSA-N 275.392 3.909 30 20 CHED C[C@H]1CC(C(=O)N2CCCC(C)(C)[C@H]2C#N)C[C@H](C)C1 434017891 VCCMQROAKYATQA-UMVBOHGHSA-N 276.424 3.599 30 20 CHED C[C@H]1CN(CC(C)(C)CCC#N)C[C@@H](c2ccsc2)O1 245771600 RXSYHZJBUSTCGH-ZFWWWQNUSA-N 292.448 3.840 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 606697540 LDSDWABSCOAILJ-MSOLQXFVSA-N 298.430 3.781 30 20 CHED C=C1CCN(Cc2c(F)cccc2Br)CC1 537862427 DTOXWUBWUULRLI-UHFFFAOYSA-N 284.172 3.740 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cncs2)cc1 255164565 BEPLBVKBYCLNKZ-HJWRWDBZSA-N 257.358 3.992 30 20 CHED Cc1c(C(=O)N(C2CC2)C2CC2)sc2ccc(C#N)cc12 600361293 SJZGUUVNERBVHB-UHFFFAOYSA-N 296.395 3.848 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3ccccc3)cnc12 255036357 IYRGJIQUBCJSPQ-KTKRTIGZSA-N 262.312 3.539 30 20 CHED CCSc1ccc([C@H](C)NC(=O)C(C)(C)C#N)cc1 349103845 DGLRTDZTDULESG-NSHDSACASA-N 276.405 3.526 30 20 CHED N#Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2)ccc1F 341465051 BDIMXPPHPVEVFM-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1ccc(F)cc1NCCCC1(C#N)CCOCC1 347854027 AUAVZKNCNXECLE-UHFFFAOYSA-N 276.355 3.647 30 20 CHED COc1ccccc1C=NOCc1ccccc1Cl 254951747 JLRCCNMQZIRSCJ-UHFFFAOYSA-N 275.735 3.899 30 20 CHED C[C@@H](CCC#N)CNCCCc1c[nH]c2ccc(F)cc12 602653362 QHFZOOMLZHBYPM-ZDUSSCGKSA-N 287.382 3.769 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)c1cccc(Cl)c1 607779826 XKJTYGSVZKGRNE-GFCCVEGCSA-N 265.784 3.868 30 20 CHED C=CCCc1noc([C@@H](C)Cc2ccccc2C)n1 528205584 GWRCPZYFVPHSAI-ZDUSSCGKSA-N 256.349 3.843 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@H](c2ccccc2)CC1 448889302 YJTYRPOMZZNAHI-INIZCTEOSA-N 271.404 3.995 30 20 CHED CC(C)CN(CCCC#N)CCc1ccc(F)cc1 604493636 SFYQLDHZINWJJZ-UHFFFAOYSA-N 262.372 3.630 30 20 CHED C/C(Cl)=C/CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 528392964 HMVYOHLKUBCJTO-KTDOTMJKSA-N 274.795 3.901 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)s1 255332731 LTQRCLAXWLPHPR-XQRVVYSFSA-N 289.312 3.566 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(C)noc2C)cc1C 255690688 JMMIMXUYBKFZHD-FPLPWBNLSA-N 255.317 3.804 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)c1cccc(Cl)c1Cl 449891868 MHOJVCPMHNKFQJ-FZNYLWTLSA-N 297.185 3.720 30 20 CHED C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 353317797 ZVUCOXMKDVVBMX-QAPCUYQASA-N 292.382 3.951 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(C)ccc1O 536689547 ZFBXPBCSVDKSKK-UHFFFAOYSA-N 287.403 3.909 30 20 CHED C=C[C@H](CC(=O)NCCC(C)(C)C)c1ccccc1 533924343 BDHIPIZVQYJZIQ-CQSZACIVSA-N 259.393 3.899 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]1[C@H]1CCCCC1=O 268531775 FNKHHQJSZHWXEP-CVEARBPZSA-N 289.419 3.505 30 20 CHED Cc1ccc(NC(=O)C(C)C)cc1N[C@H]1CC[C@H](C#N)C1 442868315 QGLGMZQNZNGHQE-KBPBESRZSA-N 285.391 3.694 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(SC)c(OC)c1 358321891 SIGMCTBFOKRLHB-QWRGUYRKSA-N 251.395 3.642 30 20 CHED C=C(C)[C@@H](CC(=O)NCC1(C)CCCCCC1)OCC 537337800 CSHXGIWCBVHPLD-OAHLLOKOSA-N 281.440 3.834 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)NCC(C)(C)CCC#N 354979612 TUMQRNSKDCWPDV-UHFFFAOYSA-N 287.407 3.573 30 20 CHED CC#CCNc1ccccc1COc1ccccc1 539520811 IWFMDQRZJOPSBY-UHFFFAOYSA-N 251.329 3.701 30 20 CHED COc1ccc2cc(CN3CCC[C@@](C)(C#N)C3)ccc2c1 612406761 SOJXPPTWNYUTBW-IBGZPJMESA-N 294.398 3.974 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1cccc(Cl)c1 539433948 OZEODECAIBNROB-GFCCVEGCSA-N 281.783 3.580 30 20 CHED CC1CCC(O)(COc2cc(Cl)cc(C#N)c2)CC1 352432597 UBJDZWUHQVKWAP-UHFFFAOYSA-N 279.767 3.532 30 20 CHED N#Cc1ccc(CCC(=O)Nc2ccc3[nH]ccc3c2)cc1 353800198 ZKDWPLUAAAXIKY-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cnccc1C 269605330 XAUABINQHGBAQR-UHFFFAOYSA-N 282.387 3.587 30 20 CHED N#Cc1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1 359889069 WYYQEIKERNXCCF-UHFFFAOYSA-N 294.285 3.625 30 20 CHED C[C@@H](CN(CC#N)C1CCCC1)c1cc(F)cc(F)c1 449030664 SDFTWCIDIYFXNO-LBPRGKRZSA-N 278.346 3.836 30 20 CHED C=C(C)CCc1noc([C@@H]2CC23CCSCC3)n1 351122728 LLTYXKRBYSBBFA-NSHDSACASA-N 264.394 3.579 30 20 CHED CCc1cc(C#N)c(NC(=O)CC[C@H](C)SC)s1 359018527 KODIRLHCERZIBX-VIFPVBQESA-N 282.434 3.652 30 20 CHED C=C(C)CN(CC)C(=O)NCc1coc2ccccc12 265184162 ZEKAZHGWHVDHQN-UHFFFAOYSA-N 272.348 3.540 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(CC#N)cc1 448594298 LGVXQWJBVHNRDZ-MLGOLLRUSA-N 256.349 3.517 30 20 CHED C[C@H](CC1CCC1)NCc1ccc(C#N)c(Cl)c1 619755671 OZOFBIRQORDIAG-LLVKDONJSA-N 262.784 3.880 30 20 CHED N#C[C@]1(F)CCN(Cc2ccc(-c3ccc(F)cc3)o2)C1 615649707 BRXGZKANWYRBAK-MRXNPFEDSA-N 288.297 3.523 30 20 CHED C=C(C)CCNC(=O)N1CCCC[C@H]1[C@H](C)CC 458989357 BBTKWFKZPOCIRN-KGLIPLIRSA-N 252.402 3.563 30 20 CHED Cc1ccc(CN(c2ccc(Cl)c(C#N)n2)C2CC2)o1 610515081 ZKZPBTVLIVKCIK-UHFFFAOYSA-N 287.750 3.677 30 20 CHED C=CCCC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 265648739 YHGNFMDORNSMGH-ZDUSSCGKSA-N 285.391 3.761 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1CCC(C)(C)C#N 451145218 JYNNAJXGWDIKHE-QJPTWQEYSA-N 276.346 3.978 30 20 CHED CC[C@@H](C)CN(CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 267119194 AORMATJLVIIJQN-ZIAGYGMSSA-N 287.407 3.697 30 20 CHED Cc1ccc(CCC(=O)Nc2sccc2C#N)s1 361319860 XPYRUNVCJXFYPC-UHFFFAOYSA-N 276.386 3.561 30 20 CHED C=CCC1(NC(=O)[C@@H]2Cc3ccccc32)CCCCC1 456358458 AUZFEXBGYPOKOT-MRXNPFEDSA-N 269.388 3.722 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCC[C@H](OC)C2)CCCCC1 456359959 CRXOSXJZFNWXKP-CVEARBPZSA-N 293.451 3.977 30 20 CHED C=CCC[C@H](C(=O)NCC(=C)CC)c1ccccc1 456811775 KMTVGMMPHVWEKH-INIZCTEOSA-N 257.377 3.819 30 20 CHED CC(C)[C@@H](C)N(Cc1ccc(C#N)c(F)c1)C1CC1 361692545 LUDANYUOLBQJFD-GFCCVEGCSA-N 260.356 3.706 30 20 CHED C=C(C)CCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 453328254 WSTWGGFJLTXUCM-YOEHRIQHSA-N 277.383 3.849 30 20 CHED N#CCc1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1 612086319 ZWDUNSMVPCQSFP-GOSISDBHSA-N 280.346 3.839 30 20 CHED C#Cc1cccc(N(C(=O)c2cncc(CC)c2)C(C)C)c1 278957356 FMYQRQNSNYCDCL-UHFFFAOYSA-N 292.382 3.681 30 20 CHED C#CCCCN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 270976092 BNCXXIAKKWKDAS-UHFFFAOYSA-N 294.398 3.679 30 20 CHED C[C@]1(C#N)CCCN(C/C=C/c2ccc(Cl)cc2)C1 612406085 IBNLBOMZKHKGOW-WPTTZPOMSA-N 274.795 3.979 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCc1ccco1 360838953 FLBOQKNWGPDTEK-SFHVURJKSA-N 280.371 3.751 30 20 CHED CC(C)CCCCC(=O)Nc1sccc1C#N 459859741 PKCDDRLJSPPEGU-UHFFFAOYSA-N 250.367 3.775 30 20 CHED C=CCC1(NC(=O)[C@H]2CCO[C@@H](CCC)C2)CCCCC1 456367999 OLGAKQWYXWXMGY-HOTGVXAUSA-N 293.451 3.977 30 20 CHED C=C(C)COc1cccc(NC(=O)NC2CC(C)(F)C2)c1 454667730 JSQFXYVVVMRUIJ-UHFFFAOYSA-N 292.354 3.654 30 20 CHED C=CCC[C@@H](O)CN(C)[C@@H](C)c1sc(C(C)C)nc1C 270350987 PUYWPUKTAIORRL-UONOGXRCSA-N 296.480 3.895 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc([C@@H]2CCCC(C)(C)C2)no1 453174371 MYWFIBBXDSBPSS-UPJWGTAASA-N 276.380 3.812 30 20 CHED C=CCN(C(=O)Nc1ccc2nc(C3CC3)oc2c1)C1CC1 271512041 KHVNYUGAKXGCKY-UHFFFAOYSA-N 297.358 3.888 30 20 CHED C=CC[C@@H](C)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 453151251 WHZSOJJOCAJGLH-DOMZBBRYSA-N 289.810 3.717 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 455374436 XTYRJIAXLNHHLJ-NSHDSACASA-N 296.361 3.879 30 20 CHED Cc1ccnc(N2C[C@H](c3ccccc3)C[C@@H]2C)c1C#N 542277042 JBBOTHYGIHBGLG-GOEBONIOSA-N 277.371 3.644 30 20 CHED C=CCCC1(c2nc([C@H](CCC)OC)no2)CC1 453222912 OLUSQQHINJZSNE-NSHDSACASA-N 250.342 3.555 30 20 CHED C=CC1CCN(C(=O)[C@@H](CCCC)C(C)C)CC1 621864120 SXLWLLNOGHBUTH-HNNXBMFYSA-N 251.414 3.873 30 20 CHED CCN(C(=O)CC(C)(C)C#N)[C@H](C)c1cccc(OC)c1 278547308 NVHFUNHSDJQPRV-CYBMUJFWSA-N 288.391 3.545 30 20 CHED CC#CCCNC(=O)CCCc1ccc(CC(C)C)cc1 543606111 DAUGPMYYOMDIPW-UHFFFAOYSA-N 285.431 3.737 30 20 CHED N#CCCCCN1CCC(c2cccc(F)c2F)CC1 372152436 ILVMMUOZTQRBQB-UHFFFAOYSA-N 278.346 3.838 30 20 CHED CO[C@@]1(C)C[C@@H](Nc2ccc(C#N)c(Cl)c2)C1(C)C 467025938 VKZKSVVANHIDNY-HIFRSBDPSA-N 278.783 3.827 30 20 CHED C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)[C@@H]2CCCC[C@H]12 542975776 RFPKXEIJHXSYBC-SRCQZFHVSA-N 272.367 3.708 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 466444062 QJQMDYMLUHQEJQ-IEBWSBKVSA-N 299.414 3.525 30 20 CHED Cc1ccccc1NC(=O)[C@@H](C)SCCC(C)(C)C#N 289462171 VFADECYDEKPESF-CYBMUJFWSA-N 290.432 3.995 30 20 CHED C=CCN(c1nnc([C@H](C)CC)n1CC(=C)C)C1CC1 460802082 ANOGLTWZASXXDH-CYBMUJFWSA-N 274.412 3.523 30 20 CHED C[C@@H]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C[C@H](C)C1 462261165 UTMXGEWYUYDXLE-KFWWJZLASA-N 284.403 3.556 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccccc1CC#N 559250136 LGAYAWUEYIDVGU-CYBMUJFWSA-N 296.345 3.709 30 20 CHED C[C@H](N[C@@H]1CCCC12CCOCC2)c1ccc(C#N)cc1 281954733 FTFAAUJBVCMRBS-WMLDXEAASA-N 284.403 3.558 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2csc(C)n2)c1 284978241 LZEOOTSUBHUXJE-INIZCTEOSA-N 299.399 3.997 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@]1(C)CCC[C@H]1C 460050350 AWGMQUVAVGIICC-BEFAXECRSA-N 296.414 3.899 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(OC2CCC2)c(F)c1 285486182 ABYKLRKSCVQWJW-INIZCTEOSA-N 290.338 3.635 30 20 CHED C[C@H](C#N)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 469556505 NPJKZMSHBWINNH-IUODEOHRSA-N 290.794 3.943 30 20 CHED C=CCC[C@H](CC)NCc1cccc(NC(=O)OC)c1 287407851 JMDRJBSGAHXHSE-AWEZNQCLSA-N 276.380 3.699 30 20 CHED C=CCC[C@H](O)CN(C1CC1)[C@H]1CCCc2ccccc21 472750921 LSCDCHIAZVBHPS-HKUYNNGSSA-N 285.431 3.856 30 20 CHED Cc1ccc(C(=O)/C=C\c2c[nH]c(C(F)(F)F)c2)o1 806568287 UHAFHRQYOOATMN-ARJAWSKDSA-N 269.222 3.831 30 20 CHED C#C[C@H](NCc1c(Cl)ccc2cccnc12)C(C)C 809685201 FWPWGQMZAGTUJJ-HNNXBMFYSA-N 272.779 3.636 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)CC1CC1 298359635 RPNWQBGDUOLLIL-UHFFFAOYSA-N 269.797 3.716 30 20 CHED CC#CCCCC(=O)N(C)Cc1ccc(F)c(Cl)c1 470014634 DDOYEDKAUNKBIN-UHFFFAOYSA-N 281.758 3.631 30 20 CHED C=C[C@](C)(O)CC(=O)N(CCCC)[C@@H](C)CCCC 647430237 XYCSJOWYGDKEFL-HOCLYGCPSA-N 269.429 3.521 30 20 CHED COc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 474072221 HNYQPJZJUAAPDP-UHFFFAOYSA-N 294.354 3.749 30 20 CHED C#Cc1ccc(CNCC2CCN(CCC(C)C)CC2)cc1 809625492 IDIDRQLIBMFLRP-UHFFFAOYSA-N 298.474 3.516 30 20 CHED C=C[C@@](C)(O)CC(=O)NC(C)(C)CC1CCCCCC1 568148195 MSSDAGPOLJWOEO-QGZVFWFLSA-N 281.440 3.569 30 20 CHED CC#CCCCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 294138124 LHOIEDCEZKLAGV-GOSISDBHSA-N 281.399 3.934 30 20 CHED Cc1ccc(C)c(OCCOC(=O)CCCCCC#N)c1 805697584 AIGHWBHOPGMMQW-UHFFFAOYSA-N 289.375 3.700 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(N2CCCCCC2)cc1 298915853 FIDNKDNMOCBPBY-UHFFFAOYSA-N 285.391 3.555 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(C)c1 806257361 WGRDLVHAHFKPSG-UHFFFAOYSA-N 296.345 3.801 30 20 CHED CC#CCCNC(=O)c1sc2ccccc2c1Cl 700590099 UHVJKRSHYBOISL-UHFFFAOYSA-N 277.776 3.698 30 20 CHED C=CCn1cccc1-c1nc(-c2cc(F)ccc2C)no1 569289188 NLZZHKQKYSXUNA-UHFFFAOYSA-N 283.306 3.839 30 20 CHED C=CC(C)(C)c1nc([C@@H]2CSc3ccccc3O2)no1 296711035 IEQALZXLSGIITG-NSHDSACASA-N 288.372 3.759 30 20 CHED C=CCCCCNC(=O)C[C@H](C)c1ccc(F)cc1 471691045 CAZOEKCTFHJBQP-ZDUSSCGKSA-N 263.356 3.792 30 20 CHED C=C(C)CCOC(=O)c1cc(C2CC2)cnc1Cl 803511211 GJPYHNKPTRRYGE-UHFFFAOYSA-N 265.740 3.735 30 20 CHED C#Cc1ccc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)cc1 809581754 OIYNRRNUXHKPDL-OXJNMPFZSA-N 291.394 3.630 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1coc(-c2ccc(C)cc2)n1 803786462 GTASIGMYHBYCHR-QGZVFWFLSA-N 298.342 3.633 30 20 CHED C=CCC[C@H](NCCCN1CCCCC1)c1ccco1 565133474 DIWNRRFPWIFYMN-INIZCTEOSA-N 276.424 3.753 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2cccc3ccccc23)nn1 806569764 ZPIQFEMWRWKOPY-KHPPLWFESA-N 291.354 3.908 30 20 CHED C=CC[C@H]1N(C(=O)Cc2ccc(C)o2)CCCC1(C)C 565691762 WUYDOJJFCDJVLS-OAHLLOKOSA-N 275.392 3.724 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 814183263 HQBCFRQQSKDNAO-WDVDTOCBSA-N 299.345 3.905 30 20 CHED C#CCCOc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1 811512324 LYQSPQNSAGSFDL-AWEZNQCLSA-N 293.357 3.566 30 20 CHED COc1ccc(F)cc1C=NOC1CCCCC1 812229716 HTPSCUFVOBMBGI-UHFFFAOYSA-N 251.301 3.518 30 20 CHED CCCCCC(C)=Nn1c(S)nnc1CCCC 818219428 FNCHSGVXDCIASZ-UHFFFAOYSA-N 268.430 3.714 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC[C@H]1C[C@H]2CC[C@H]1O2 658035392 MTADTLABANLYGR-BPKGMFCQSA-N 263.425 3.669 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H]1CCC[C@@H](OC)C1 483818717 IGMXPPLQTSVHER-HUUCEWRRSA-N 294.439 3.560 30 20 CHED N#Cc1cccc(C(=O)OCc2csc3ccccc23)n1 810880285 AZMCGKOAKPMUJA-UHFFFAOYSA-N 294.335 3.525 30 20 CHED O=[N+]([O-])c1ccccc1C[C@H]1CCCC1=NOC1CCC1 812235178 OLCHHIPGZXTGCK-GFCCVEGCSA-N 288.347 3.863 30 20 CHED CCCCCCCC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 818440101 SMDJJCCQSIDKOA-YHUYYLMFSA-N 263.425 3.851 30 20 CHED CCNc1ccc(Cl)cc1C(=O)OC1(CC#N)CCC1 810858698 IOUHLJYKCGBRIX-UHFFFAOYSA-N 292.766 3.765 30 20 CHED C=CC1CCN(C(=O)[C@@H](CC)Oc2ccccc2C)CC1 487236782 MRDCZNFQMHGJTO-MRXNPFEDSA-N 287.403 3.577 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)CC1 484137066 UPHXDYRUPHQGSM-NWDGAFQWSA-N 289.341 3.922 30 20 CHED Clc1ncccc1C=NNc1ccc2ccccc2n1 814697515 RIXMPJLEQSUHOZ-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C=CCCc1noc(-c2ccc(OC(C)C)cc2)n1 651355602 HEJXPCUMQOECPW-UHFFFAOYSA-N 258.321 3.642 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C)ccc2OC)cc1O 811699436 UMRHSICJRHOIPY-ALCCZGGFSA-N 298.338 3.614 30 20 CHED CC(=NOCCC1CC1)c1nc2ccccc2s1 814247277 ZBZLKQMGJIYJDM-UHFFFAOYSA-N 260.362 3.837 30 20 CHED C=CCCCCOC(=O)c1c(F)cccc1Cl 811012832 ZUNFCZFHRCBHOZ-UHFFFAOYSA-N 256.704 3.992 30 20 CHED CC(=NNCC(C)C)c1csc(-c2ccccc2F)n1 812227625 LAQNCCDOSHMKQH-UHFFFAOYSA-N 291.395 3.919 30 20 CHED C#C[C@@H](NC/C(C)=C\c1ccccc1OC(F)F)C(C)C 811505070 CMAVIZXKJKOJAX-VSKPTYQZSA-N 293.357 3.939 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)ns1 488884266 XXZWWHVOWQPIPK-AWEZNQCLSA-N 298.411 3.991 30 20 CHED N#Cc1ccc(CNN=Cc2ccc(C3CCC3)cc2)cc1 814882804 OTYGPZWIXKBWHC-UHFFFAOYSA-N 289.382 3.949 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(C)c(C)c1O 728156549 JSLWZLGSOPNXDR-UHFFFAOYSA-N 279.343 3.717 30 20 CHED C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 575221941 IPTHVUCEOQBMGA-LIRRHRJNSA-N 276.383 3.939 30 20 CHED C=CCN(Cc1cc(C)c(C(=O)O)o1)CC1CCCCC1 570219197 IJAKDRXIEFICKX-UHFFFAOYSA-N 291.391 3.855 30 20 CHED C=C(C)CON=C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 496183106 ZECKVXCJJMIKPG-KGLIPLIRSA-N 296.411 3.601 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)[C@H](C)C1CCCCC1 499992519 NQSISSQVXJBSCJ-QWHCGFSZSA-N 264.413 3.647 30 20 CHED Cc1ccc(N(CCC#N)C(=O)Cc2cccc(C)c2)cc1 726940075 GKOXASTXDBNTKB-UHFFFAOYSA-N 292.382 3.793 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cc(O)nc3ccccc23)no1 577918465 VWFSKUKTRALARC-KRWDZBQOSA-N 295.342 3.844 30 20 CHED c1ccc2c(NN=C3CC4(CCCC4)C3)nncc2c1 901128215 CHZZKCWSEYBKQO-UHFFFAOYSA-N 266.348 3.752 30 20 CHED C=CCC1(N[C@@H]2CCCCC[C@H]2C)CCOCC1 668551482 OIKOEEIAEXQBCP-HUUCEWRRSA-N 251.414 3.670 30 20 CHED C=C(C)CN(CC)C(=O)Cc1csc2ccccc12 494062478 ITCXLGPJZVGKKW-UHFFFAOYSA-N 273.401 3.868 30 20 CHED O=C1/C(=C\c2cc(F)c(F)c(F)c2)Cc2cc(O)ccc21 588534961 DBTIHZJWEPYYKB-KMKOMSMNSA-N 290.240 3.632 30 20 CHED Cc1ccc(C=NNc2nncc3ccccc23)cc1F 731486437 XDHMPRIMDHOKRQ-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C/C(=C\C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 839051245 MXNUGOXQGDOIGC-UMBJVVCDSA-N 287.334 3.855 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c2ncccc12 905928559 DXALEMQTHURGSZ-KBPBESRZSA-N 294.354 3.782 30 20 CHED C[C@H](NN=C1CCC[C@@H](c2cccnc2)C1)C(F)(F)F 834997267 AVLXACBTKGATLF-WDEREUQCSA-N 285.313 3.636 30 20 CHED C=CCSCCN[C@H](CC)c1cccc(C#N)c1 902854545 HBLUVXMYESQCMQ-OAHLLOKOSA-N 260.406 3.518 30 20 CHED N#C[C@H]1CCC[C@H](NC2[C@H]3CC[C@H]2Cc2ccccc2C3)C1 588231251 WRQSVNOJJMFSQG-QZHFEQFPSA-N 294.442 3.852 30 20 CHED CC(C)(C)Oc1ccc(NCCOC2CCC2)cc1C#N 834640558 OOIBJPRSKGORTF-UHFFFAOYSA-N 288.391 3.717 30 20 CHED C=CC(C)(C)COC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 835723241 QYSSCYOLNNKUEZ-LBPRGKRZSA-N 276.380 3.532 30 20 CHED C=CCC[C@@H](C(=O)Nc1nccn1C1CC1)c1ccccc1 839941207 XPFYNERMUWVFSP-MRXNPFEDSA-N 295.386 3.907 30 20 CHED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C#CC(C)C 830058977 UDLOILJABAMDPU-MRXNPFEDSA-N 298.430 3.972 30 20 CHED CC(CCc1ccccc1F)=NNc1ccccn1 734092145 WQOWSGPCJUPLJL-UHFFFAOYSA-N 257.312 3.641 30 20 CHED N#Cc1cc(OCC[C@H]2CCCO2)ccc1C(F)(F)F 588306477 ICOFYHVHONRNDP-LLVKDONJSA-N 285.265 3.525 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccc(O)cc1 731321550 KLIXMWXHUZLTBM-RUDMXATFSA-N 256.276 3.736 30 20 CHED C=CCOc1cccc(CN[C@H]2CCC(F)(F)C2)c1 675646446 YWOTYJKPXOFYEF-ZDUSSCGKSA-N 267.319 3.529 30 20 CHED CCCCCCCCCCC(=O)Nc1nc(C)no1 918083337 WTEPZXFAKAENRX-UHFFFAOYSA-N 267.373 3.847 30 20 CHED C=CCC1(C(=O)OCC2(SC)CC2)CCCC1 835398400 WTTJLEYHMVCOLZ-UHFFFAOYSA-N 254.395 3.562 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1cncs1 734748918 ZGFORWTXFBJVQK-UHFFFAOYSA-N 283.303 3.581 30 20 CHED CC(C)(C)n1cc(C=NNc2ccccc2Cl)cn1 915935235 MEKWUMUBONQGQD-UHFFFAOYSA-N 276.771 3.738 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC3(CCc4ccccc4C3)CC2)C1 593038020 VMOFLSRAUPTDHE-APWZRJJASA-N 294.442 3.950 30 20 CHED CN(C)c1ccc(N(C)C(=O)CC2(C#N)CCCCC2)cc1 831623735 DRSVOWFDUJIKMQ-UHFFFAOYSA-N 299.418 3.580 30 20 CHED CCCCCCCCNC(=O)c1ncoc1C(F)(F)F 831173085 NGYLIXAHDMKWBU-UHFFFAOYSA-N 292.301 3.784 30 20 CHED N#Cc1ccc(CCNC2CC(c3ccc(F)cc3)C2)cc1 595058193 ZDYKDKBOSORPDX-UHFFFAOYSA-N 294.373 3.776 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 590841280 UQIAWKKWXWYDDO-LRDDRELGSA-N 299.418 3.669 30 20 CHED CCCCCCCn1cnc2ccc(F)cc2c1=O 747808957 JNHPYUSLZYUIDM-UHFFFAOYSA-N 262.328 3.506 30 20 CHED C#CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CCC)cc1 742801839 JBBGWLVJKZEDLQ-QAPCUYQASA-N 299.414 3.739 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccccc1Cl)C(C)C 593471960 LDCMINDFLMLXET-BXUZGUMPSA-N 278.783 3.703 30 20 CHED C#CCCCNC(=S)Nc1ccc(Cl)cc1Cl 743010879 IKVJZKQRUWHUAN-UHFFFAOYSA-N 287.215 3.693 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](CC1CCC1)c1ccccc1 845625711 YOWJFGACEATAIO-BBRMVZONSA-N 288.391 3.723 30 20 CHED N#CC1(CCOC(=O)c2cccc(Cl)n2)CCCCC1 840220469 NSXWNDVXVMUXDI-UHFFFAOYSA-N 292.766 3.756 30 20 CHED CCCCCCCC(=O)N1CCN(C)CC12CCCCC2 746013809 JXQCYZIAPVPNRU-UHFFFAOYSA-N 294.483 3.824 30 20 CHED C=CC[C@H](CC)NC(=O)NCCC[C@H]1CC1(Cl)Cl 845173119 ZJNVXHNBFLVPSV-QWRGUYRKSA-N 293.238 3.614 30 20 CHED C=CCN(C(=O)Cc1cn(CC)c2ccccc12)C(C)C 748172964 CUYKZDCRNFLNGR-UHFFFAOYSA-N 284.403 3.627 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc(Cl)s2)c1 915979044 NFOYCMNDGUPFHG-UHFFFAOYSA-N 286.734 3.803 30 20 CHED N#C[C@H](COC(=O)/C=C/C1CCCC1)Cc1cccs1 842745961 IOIDWTWHHLXEGT-HSBSLETESA-N 289.400 3.720 30 20 CHED Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1C(F)(F)F 597666760 JVEKPAZZWOVZMC-UHFFFAOYSA-N 296.292 3.892 30 20 CHED C[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)c1ccco1 599348673 BAWCPWAYKRZWCH-ZDUSSCGKSA-N 276.380 3.562 30 20 CHED C#CCOc1ccccc1CNc1ccnc2ccsc12 742407457 FZIVFSYPYMLJCQ-UHFFFAOYSA-N 294.379 3.920 30 20 CHED COCc1csc(/C=C\C(=O)c2cnn(C(C)C)c2)c1 849245771 MPRFOVXMPFKDDP-PLNGDYQASA-N 290.388 3.568 30 20 CHED N#Cc1ccc(CCSCCCCCF)cc1 596361973 WWSKYCITELNVQX-UHFFFAOYSA-N 251.370 3.974 30 20 CHED CC(C)Cc1ccc(C=NOCc2cccnc2)cc1 746589001 XIIZSQDMVCMILG-UHFFFAOYSA-N 268.360 3.831 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(CC2(C#N)CC2)n1 590285394 YYYPPTCFSANVKI-RYUDHWBXSA-N 259.353 3.600 30 20 CHED COc1ccc(Cl)cc1/C=C\C(=O)c1ccc(O)cc1 917143643 LVQBAYQTJFSDTQ-YWEYNIOJSA-N 288.730 3.950 30 20 CHED C=C(C)CCNC(=S)Nc1cc(OC)ccc1Cl 840791257 CRRUZUMIOVOFMW-UHFFFAOYSA-N 284.812 3.601 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1ccc(F)c(Cl)c1 915970453 CTKGFDGNOCOZCR-UHFFFAOYSA-N 292.745 3.722 30 20 CHED CCCCC/C(C=Nn1cnnc1)=C\c1ccccc1 916242405 OURDIHCGMCYDEL-OPSCFLETSA-N 268.364 3.776 30 20 CHED Cc1ccc(C)c(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 593934076 KDNSSNVCGINPDX-HNNXBMFYSA-N 292.382 3.992 30 20 CHED FC(F)(F)c1cccnc1NN=C[C@@H]1CC=CCC1 915051446 UNUXVSCGEGCDBI-SNVBAGLBSA-N 269.270 3.854 30 20 CHED COc1ccc(C=NNc2cc(F)c(F)c(F)c2)cc1F 747641824 GDEKOSWSJOVKHY-UHFFFAOYSA-N 298.239 3.698 30 20 CHED CO[C@@H]1CCCCC1=NNc1nc2ccccc2s1 915934161 SRHROXWFXKZEJH-GFCCVEGCSA-N 275.377 3.653 30 20 CHED C#CCCCCCC(=O)O[C@@H]1C[C@@H](C)C(=O)C(C)(C)C1 847937684 LZFNXKHDOJDDET-ZIAGYGMSSA-N 278.392 3.507 30 20 CHED CCSC1(CN[C@@H](C)c2ccc(C#N)cc2F)CC1 595098553 IIZWRIZZYDUNSR-NSHDSACASA-N 278.396 3.634 30 20 CHED C[C@H](CC(=O)N(C)c1ccc(C#N)nc1)C1CCCCC1 593275606 FMNFCYPXPZQJCD-CYBMUJFWSA-N 285.391 3.523 30 20 CHED C#CC1CCN(C(=O)/C(C)=C\c2cccc(Cl)c2)CC1 843704668 CKEHSQHAWOBXTL-QBFSEMIESA-N 287.790 3.615 30 20 CHED CC(CCc1cccc(C)c1)=NNc1cc(C)nc(C)n1 920373471 BQKMEZMKFNSNPD-UHFFFAOYSA-N 282.391 3.822 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(F)cc1 742260661 LKMUMRFZCCBAMH-UHFFFAOYSA-N 273.282 3.589 30 20 CHED C=C1CCN(C(=O)Nc2cccc(-c3nccs3)c2)CC1 929895958 HTLJZFBHIMKQKA-UHFFFAOYSA-N 299.399 3.994 30 20 CHED C#CCCCC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 841330866 GIXHXBFYAUCXTM-ROUUACIJSA-N 283.415 3.975 30 20 CHED Cc1cc(C)cc(NN=C2[C@@H]3CCCO[C@@H]3C2(C)C)c1 743429918 BTMAQNZGVHCICQ-HOCLYGCPSA-N 272.392 3.906 30 20 CHED CC(CCCCC#N)=NNCc1cccc(Cl)c1 841629572 QLMPZBPHWMMXTF-UHFFFAOYSA-N 263.772 3.889 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3c(F)ccc(F)c32)cc1 752785462 GDNUWAVKCZFVTA-MRXNPFEDSA-N 284.309 3.614 30 20 CHED C#CCCCCC(=O)OC[C@@H]1C[C@H]1c1ccc(OC)cc1 851268377 WXZLJVLAVZKCHT-RDJZCZTQSA-N 286.371 3.536 30 20 CHED CCCCCCCNC(=O)N1CCC(F)(F)[C@@H](C)C1 858112923 BPSWRWKHPNYFOF-LBPRGKRZSA-N 276.371 3.644 30 20 CHED C=C(C)CNC(=S)N1CC2(CCCC2)c2ccccc21 751445103 KNQHTTLDEIJKMS-UHFFFAOYSA-N 286.444 3.769 30 20 CHED c1ccc([C@H]2CCCC2=NO[C@@H]2CCCCO2)cc1 755817586 MXYVZIBJTFFGBF-GDBMZVCRSA-N 259.349 3.853 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccccc1F 920376486 JFIVPWDWJPAIJJ-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CC[C@H]1CCCC1=NNC(=S)Nc1cccc(OC)c1 758366996 LWBLLUUPZSNRPM-NSHDSACASA-N 291.420 3.548 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(N(C)CC)cc1 853007032 NEVPLRDGSJHZKN-ZHACJKMWSA-N 297.402 3.645 30 20 CHED CC(C)(C#N)COC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 850935153 DDBPPSWQSLKWGD-HOTGVXAUSA-N 285.387 3.738 30 20 CHED Cc1csc([C@@H](C#N)C(=O)Cc2cc3ccccc3o2)n1 920104119 OQUXHLYPXURBGW-ZDUSSCGKSA-N 296.351 3.617 30 20 CHED C=C(Cl)CSCCc1nc2ccccc2n1C 853783699 POQFSVYXCSFGHN-UHFFFAOYSA-N 266.797 3.602 30 20 CHED COc1ccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)cc1 758028036 BHPGHEPTHHVNJH-MKMNVTDBSA-N 288.249 3.590 30 20 CHED C/C(C=Nn1cc(Br)cn1)=C/c1ccccc1 752748112 SOCMCHVWWTYYHY-OCLNWSFISA-N 290.164 3.583 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccnc(Cl)c1 853395341 UIBPWRUDTSHGFK-LLVKDONJSA-N 276.771 3.853 30 20 CHED C#CC[C@@H](Nc1ncccc1Cl)c1ccccc1 756954414 YTLQDSJHUQFKPZ-CQSZACIVSA-N 256.736 3.912 30 20 CHED CC(C)(C)C(=O)CON=C(c1ccccc1)C(F)(F)F 751966211 VLXYFSYUKHYZBK-UHFFFAOYSA-N 287.281 3.585 30 20 CHED CC(C)CN(CCC#N)Cc1nc(C(F)(F)F)cs1 751992334 QTEFHJHELYLITI-UHFFFAOYSA-N 291.342 3.534 30 20 CHED C#CCCCC(=O)OCc1c(Cl)cccc1Cl 759191026 FOHOSFYYVWYVNN-UHFFFAOYSA-N 271.143 3.840 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1csc(C(C)(C)C)n1 851209572 HGBJCMYJAXJHRH-SNVBAGLBSA-N 294.420 3.926 30 20 CHED CCN(Cc1cccc(F)n1)[C@@H](C)c1ccc(C#N)cc1 851736453 QDXVMYIEHUGGBS-ZDUSSCGKSA-N 283.350 3.675 30 20 CHED C=CCSCCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21 756684540 YMAZZUATYVUWKJ-ZYHUDNBSSA-N 281.396 3.588 30 20 CHED C(=NNCc1ccccc1)c1cnc(-c2cccs2)s1 751520913 KROCWWVQWLCHLA-UHFFFAOYSA-N 299.424 3.995 30 20 CHED C=CCCCCCCNC(=O)N1C[C@@H]2CCCC[C@@H]21 854063748 GJSQBNXBXWHGDE-GJZGRUSLSA-N 264.413 3.707 30 20 CHED CC(C)c1ccc(OC(=O)c2cc(C#N)cs2)cc1 752164292 RNPBACAZYZVZFP-UHFFFAOYSA-N 271.341 3.962 30 20 CHED CC(=C/c1ccccc1)/C=C1\CCc2c(cnn2C)C1=O 750914201 TZKLKZVRTWGQGH-KXIMDHCPSA-N 278.355 3.579 30 20 CHED Cn1cnc2cc(/C=C/C(=O)c3cccs3)ccc21 761202898 ZBMYGGXOITXNPJ-FNORWQNLSA-N 268.341 3.531 30 20 CHED CCO[C@@H]1CCCC1=NNc1c(F)cccc1Cl 766455242 RAUDKPJUKGRJNH-GFCCVEGCSA-N 270.735 3.836 30 20 CHED Fc1cccc(NN=Cc2ncccc2C(F)(F)F)c1 765570845 FOUPOGXQIONOEW-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F 935253263 XHQVKIREUWPOST-OGHNNQOOSA-N 293.382 3.620 30 20 CHED C[C@@H](Cc1cccc(F)c1)N[C@H](C)c1cccc(C#N)c1 766348757 BFBACJOQIPHAIY-UONOGXRCSA-N 282.362 3.979 30 20 CHED CCc1nc2ccccc2n1N=C[C@@H]1C[C@H]2CC[C@H]1C2 762418863 UMSTZLZPKDTSPS-IHRRRGAJSA-N 267.376 3.869 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@](C)(C#N)C1CCCCC1 932887142 QQIOYYLFXHUHLY-BBRMVZONSA-N 262.397 3.567 30 20 CHED Cc1cc(C(=O)/C=C\c2cncs2)cc(C)c1F 767728848 JXYFKHOUEKSHDB-ARJAWSKDSA-N 261.321 3.795 30 20 CHED CC(CCCCO)=NNCc1ccc(-c2ccccc2)cc1 766709344 AGOLLBJFVRBMIZ-UHFFFAOYSA-N 296.414 3.982 30 20 CHED CC#CCOC(=O)c1cc2ccccc2cc1OC(F)F 761512973 UNGPUYNKLWQJMT-UHFFFAOYSA-N 290.265 3.621 30 20 CHED Cc1cccc(NC(=S)NN=C[C@H](C)CCC#N)c1C 765993386 MODASGGQPGRZGI-LLVKDONJSA-N 288.420 3.516 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](c1nc(C)cs1)C1CC1 933509923 RWRKIYZWGPKYDG-FZMZJTMJSA-N 278.421 3.621 30 20 CHED CC1(C)CCC(C=NNc2nc(-c3ccncc3)no2)CC1 764690254 LZUSCBPHNFMZSS-UHFFFAOYSA-N 299.378 3.746 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1116429638 XTMRBJXTMQWRTC-QMMMGPOBSA-N 291.153 3.592 30 20 CHED C[C@@H]1CCN(C(=O)c2csc(C#N)c2)[C@H]2CCCC[C@@H]21 1117740346 IYMRQRSPRBNKQY-DFBGVHRSSA-N 288.416 3.661 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCCc2sccc21 767335875 BPDFJXFARSCMLQ-YDRQLGOLSA-N 257.358 3.950 30 20 CHED N#Cc1ccc(C=NNc2c(F)cccc2Cl)cc1 769827197 RJASSVKJGJOKLZ-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C[C@H](OC(=O)/C=C/c1ccc2[nH]ccc2c1)C(C)(C)C#N 765957631 FTQKUCIXTHAWSN-PZBABLGHSA-N 282.343 3.663 30 20 CHED C=CCCCOC(=O)c1cnc(-c2ccccc2)nc1C 766386414 ACFXFOJWSHVCCJ-UHFFFAOYSA-N 282.343 3.575 30 20 CHED C#CCOc1ccc([C@H](C)NCC2(C3CC3)CC2)cc1 773099092 PYZVKRNTAOIEPO-AWEZNQCLSA-N 269.388 3.539 30 20 CHED CC(C)(C#N)CCOC(=O)C[C@H]1CCc2ccccc2C1 776385349 PGIVXONINJMRPK-AWEZNQCLSA-N 285.387 3.665 30 20 CHED C#CCCCCC(=O)OCc1cccc(C(F)(F)F)c1 773632015 ILCZDAKHGXDPJA-UHFFFAOYSA-N 284.277 3.942 30 20 CHED C#CCCCCC(=O)OCc1cc(Cl)ccc1OC 773632385 MRIHPBALVKWZIL-UHFFFAOYSA-N 280.751 3.585 30 20 CHED Cc1ccccc1CCC(=O)OCc1cccc(C#N)c1F 774946727 LYGUIMDTRUAWQJ-UHFFFAOYSA-N 297.329 3.682 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C2(F)CCCC2)n1 774131155 QXTQCWNXAIMAEM-JTQLQIEISA-N 280.368 3.725 30 20 CHED C=CC[C@H](C(=O)Oc1ccc2c[nH]nc2c1)c1ccccc1 778668039 UBPQCVTUBZWKSN-INIZCTEOSA-N 292.338 3.828 30 20 CHED C#CCSCCN[C@H](C)c1ccc(OC)c2ccccc12 773011011 QSYAYEAUTQMZPX-CQSZACIVSA-N 299.439 3.865 30 20 CHED C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 774147170 KQMDYIPDAAXUNB-IOASZLSFSA-N 260.356 3.601 30 20 CHED CC(C)OCCNN=C1CC(c2cccc(Cl)c2)C1 778546895 AJEPLTHTMHVHHY-UHFFFAOYSA-N 280.799 3.588 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNc1cc(Cl)nc(N)n1 778548964 OQBHEIXADRNZTC-LLVKDONJSA-N 295.818 3.883 30 20 CHED C#CCSCCN[C@@H]1CC=C(c2ccc(F)cc2)CC1 779412000 IWFIEILGRHSRKS-QGZVFWFLSA-N 289.419 3.718 30 20 CHED Cc1ccc(C(=O)/C=C\c2nc3c(s2)CCCC3)c(O)c1 776264826 JJFYPZUNBYHJOC-HJWRWDBZSA-N 299.395 3.932 30 20 CHED C#CCOc1cc(F)ccc1NCCc1cccs1 778612669 CHOYUUONGRPZFU-UHFFFAOYSA-N 275.348 3.554 30 20 CHED c1ccc2c3c(sc2c1)C(=NN=c1cc[nH]cc1)CCC3 779809492 YFPRJVIDCKBSNM-UHFFFAOYSA-N 293.395 3.871 30 20 CHED COc1cccc(NN=C(C)[C@@H](C)c2ccccc2)n1 779817522 QRSRRMAQVPNEMV-GFCCVEGCSA-N 269.348 3.682 30 20 CHED N#Cc1ccc(NC(=O)c2cc(F)cc3ccoc23)cc1 1124406673 WSTBMYAQGTWIJC-UHFFFAOYSA-N 280.258 3.696 30 20 CHED COc1ccc(C(C)=NN[C@@H]2CCCC2(C)C)cc1OC 782303553 XJZBWGCGMZLXFV-MRXNPFEDSA-N 290.407 3.596 30 20 CHED CCCCOc1ccc(C(C)=NOC2CCOCC2)cc1 789050232 BBHKMYABZPZWSL-UHFFFAOYSA-N 291.391 3.785 30 20 CHED C[C@@H]1CCCC[C@@H]1C=Nn1c(S)nnc1C(C)(C)C 783800247 PDWBAYLQJLZDET-GHMZBOCLSA-N 280.441 3.525 30 20 CHED N#C[C@@H]1CCCN(c2ccnc(-c3cccc(Cl)c3)n2)C1 895649761 OKTNETOTUACLIV-LBPRGKRZSA-N 298.777 3.537 30 20 CHED COc1cc(N=Cc2c(O)cccc2OC)ccc1Cl 788319821 XJPVFYZFXHUIOK-UHFFFAOYSA-N 291.734 3.813 30 20 CHED COc1ccc2ccccc2c1CN1CCC[C@H](C#N)C1 896504085 BFPWYIALTCACCY-CQSZACIVSA-N 280.371 3.584 30 20 CHED Cc1cc(NCc2cccc(C#N)c2)nc(C2CCC2)n1 891792346 GXPDDSOQWNKRTI-UHFFFAOYSA-N 278.359 3.536 30 20 CHED N#CC[C@H](Cc1nc(CCCCF)no1)c1ccccc1 897206195 TXXYIQPSARSWJG-CQSZACIVSA-N 287.338 3.602 30 20 CHED C=CCCCCCOC(=O)C[C@](C)(O)c1ccccc1 784823581 PLFUOVAOIBDCLZ-KRWDZBQOSA-N 276.376 3.574 30 20 CHED O=C(/C=C/c1ccccc1Cl)c1ccnc(F)c1 794719531 BIOSXNWTXAMPNV-AATRIKPKSA-N 261.683 3.770 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1cc(F)c(F)cc1C 791404941 ZTDYXRPRIMVZCI-AWEZNQCLSA-N 254.276 3.781 30 20 CHED C=C(C)CCc1noc(-c2cccc(-c3cnn(C)c3)c2)n1 795763570 AANLQHCLEUPFIV-UHFFFAOYSA-N 294.358 3.646 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H](C#N)CCc2ccccc2)C1 1136825332 RBRNVMUQUZMEDY-JFIYKMOQSA-N 298.430 3.796 30 20 CHED C#C[C@H](NC(=O)c1oc2ccccc2c1C)C(C)(C)C 705309694 ZBUKSVLICGOYEQ-AWEZNQCLSA-N 269.344 3.519 30 20 CHED C=CCCCN(C)Cc1cc([N+](=O)[O-])ccc1Cl 735491676 GQULIHKGYAQDDW-UHFFFAOYSA-N 268.744 3.646 30 20 CHED CC[C@H](C)NN=Cc1csc(-c2ccsc2)n1 790188654 GQLNOLPZZBWFFX-VIFPVBQESA-N 265.407 3.594 30 20 CHED CC1(C)CCC(COC(=O)c2ccc(C#N)o2)CC1 796150750 IUZUZGZJOICWDD-UHFFFAOYSA-N 261.321 3.524 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C1/Oc2ccccc2C1=O 794941777 XPAHXQDOXQYDHR-CXUHLZMHSA-N 294.306 3.618 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2cc(C#N)ccn2)CC1 79343746 LOVYKZCQVHCUNL-CQSZACIVSA-N 257.381 3.606 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ccc(C#N)cc2)c(O)c1 799895050 JPPPXVCVCLWXHT-BQYQJAHWSA-N 277.323 3.777 30 20 CHED C=C(C)COC(=O)c1c(-c2ccccc2)noc1CC 795936311 ZQMXCVGIGJVISL-UHFFFAOYSA-N 271.316 3.637 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 714399203 FXEOODMQIBXSCK-GWCFXTLKSA-N 276.767 3.976 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1ccc(Cl)cn1 792719459 VEWJKWRPZZMCMV-UHFFFAOYSA-N 294.782 3.541 30 20 CHED CC[C@H](C)CCC(=O)[C@@H](C#N)c1nc2ccccc2o1 796816779 KGPAXQLDHYRZIW-NWDGAFQWSA-N 270.332 3.830 30 20 CHED C/C(=C/Cl)CS[C@H](C)C(=O)Nc1cccc(C#N)c1 797815558 SXODSXHLOXTLLW-ZJRUKIMVSA-N 294.807 3.761 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)Cc2ccc(C)s2)n1 80245210 STSYQYOWXBBDPB-LBPRGKRZSA-N 285.416 3.983 30 20 CHED CCCCCCCCOC(=O)Cc1ncccc1F 795778961 VUZFYHQCBJKPKD-UHFFFAOYSA-N 267.344 3.667 30 20 CHED COc1ccc([C@@H](C)NCCCC(C)(C)C#N)cc1 90340055 CVKFSILEBDKCSS-CYBMUJFWSA-N 260.381 3.676 30 20 CHED N#Cc1cncc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)n1 1307078982 IISIGYOGYSOOAS-OAHLLOKOSA-N 294.333 3.535 30 20 CHED N#CCOc1ccc(NC(=O)N(C2CCCC2)C2CC2)cc1 1319002446 TVLWWHYRGYWREB-UHFFFAOYSA-N 299.374 3.528 30 20 CHED CCC1(CC)CCCN(Cc2ccc(OCC#N)cc2)C1 1171949569 USEWMHRCKAUVRZ-UHFFFAOYSA-N 286.419 3.991 30 20 CHED CC[C@H](c1ccccc1)c1nnc(-c2ccc(C#N)cn2)o1 1322365006 XSWKVOPANWZPMI-CQSZACIVSA-N 290.326 3.545 30 20 CHED C[C@@H](Cc1ccccc1Cl)NCC1(C#N)CCC1 1170247720 LLNWAUYBDMAUFV-LBPRGKRZSA-N 262.784 3.554 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccn1C1CC1 1329170901 BQOBRILFVQPORZ-CQSZACIVSA-N 279.387 3.888 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1ccc(C#N)s1 1327194939 JTHVDGFJSWTLKU-JTQLQIEISA-N 265.378 3.735 30 20 CHED C#CCN(Cc1c(Cl)ccc2cccnc12)CC1CC1 1254409416 GBKGZVFVFKABHF-UHFFFAOYSA-N 284.790 3.733 30 20 CHED CC[C@@H](NC(=O)CC#Cc1ccccc1)C1CCCC1 1327118920 JFSFBUVUTGTBNH-QGZVFWFLSA-N 269.388 3.513 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCOCc1ccccc1 1339281177 OJTSUOVXZUPQKG-QGZVFWFLSA-N 287.403 3.551 30 20 CHED C[C@@H]1CC[C@@H](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 1257872937 SWZATNSFEMTXJO-DGCLKSJQSA-N 267.332 3.587 30 20 CHED C[C@@H](c1nnc(COc2ccc(C#N)cc2)o1)C1CCCC1 1257686686 JENCTYCPPWAEEL-GFCCVEGCSA-N 297.358 3.814 30 20 CHED C#C[C@H](C)N(C)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1255902006 IPVOUMNDJAMCQC-JTQLQIEISA-N 298.213 3.751 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCC(C)(C)CC1 1338905301 FXKUKQCKKNKRDW-GFCCVEGCSA-N 294.468 3.515 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)O[C@@H]1CC[C@H](C#N)C1 1342610069 FXUSNEOTFPSAJC-QWHCGFSZSA-N 286.375 3.616 30 20 CHED CCC[C@H](OC)C(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1348798345 JJCNQONSJXHMCO-OBJOEFQTSA-N 295.404 3.697 30 20 CHED C=C[C@H](COC)N[C@H](CC)c1cc(Cl)ccc1OC 1342732993 NSVCZFMAZFRYPS-TZMCWYRMSA-N 283.799 3.590 30 20 CHED CCCCCCCNC1CCC(C(=O)OCC)CC1 103034439 XTKOUSIVBVFHLN-UHFFFAOYSA-N 269.429 3.668 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1cn2c(n1)CCCC2 1345048571 FRKAJKXQZRKQPW-UKRRQHHQSA-N 288.391 3.511 30 20 CHED C[C@@H](OC1CCCCC1)C(=O)O[C@H](C#N)C1CCCCC1 1343967547 NDJHBVMDMZMOQO-CZUORRHYSA-N 293.407 3.740 30 20 CHED C=C[C@@H](CC)OC(=O)c1occc1NC(=O)OC(C)(C)C 1263384068 LOELMAZZOVGOIS-JTQLQIEISA-N 295.335 3.748 30 20 CHED CC#CCCOC(=O)c1nc(-c2ccccc2)oc1C1CC1 1342621391 NOXJMHMKMWNTTI-UHFFFAOYSA-N 295.338 3.789 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N(C)[C@H](C)c1ccco1 1263309585 OAFZKVVEMXYWAF-SNVBAGLBSA-N 296.321 3.582 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1csc(Cl)c1 1355068085 DAYMHXAXVJDCJX-LLVKDONJSA-N 269.797 3.972 30 20 CHED C[C@H](NC(=O)c1cc(C#N)ccc1F)C1CCCCCC1 1435847022 YQWIDXUBAWSEDI-LBPRGKRZSA-N 288.366 3.786 30 20 CHED C[C@@H](OC(=O)c1ccc2c(c1)CCC2)c1cccc(C#N)c1 1355925803 KOKDQKULQFQEIQ-CYBMUJFWSA-N 291.350 3.965 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H]2CCC[C@H]2C)c1 1436706276 PQCFYZKDCIKLQU-OCCSQVGLSA-N 256.349 3.632 30 20 CHED CCCC1(CNC(=O)[C@@H](CC#N)c2ccccc2)CCC1 1356174348 YLZQGPDTOKXOCP-INIZCTEOSA-N 284.403 3.770 30 20 CHED C[C@H](C(=O)O[C@H](C)CC#Cc1cccnc1)c1ccsc1 1515324576 XCAYQRVYNZYXSZ-KGLIPLIRSA-N 299.395 3.620 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCC[C@H]2c2ccccc2)C1 1516820037 LWDLIOWOTMQNNS-BSWAZPDLSA-N 283.371 3.806 30 20 CHED N#Cc1nccc(SCc2c(Cl)cccc2Cl)n1 1458140737 MRJUKQAHNOBTJQ-UHFFFAOYSA-N 296.182 3.947 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1nc(C(=O)O)c(C(C)C)s1 1609225905 ATEPWMICBFUNLN-SECBINFHSA-N 296.392 3.506 30 20 CHED CCCCCCCCC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)O 1605267370 UPDRVQNVNZOXPN-YOEHRIQHSA-N 297.439 3.887 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccn2)c2ccccc12 1537536549 GLWVNDNGLWIZMO-UHFFFAOYSA-N 287.322 3.667 30 20 CHED COc1cccc([C@@H]2C[C@H]2Nc2cccc(F)c2C#N)c1 1612381534 LRLVCIXMVBSJKO-SUMWQHHRSA-N 282.318 3.674 30 20 CHED O=C(O)c1cc(NN=CC2CCCCC2)ccc1F 1610814838 XODACOMXQLEWCQ-UHFFFAOYSA-N 264.300 3.502 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(C)c(F)c1F 1540016208 MZJPIJGJVWITEN-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H](C)c1ccsc1 1543532399 PNRMSWVNTWDWOV-SNVBAGLBSA-N 298.367 3.565 30 20 CHED N#Cc1c(F)cccc1Sc1nc2ccccc2nc1F 1640086748 OJKYLYSMSCXTEN-UHFFFAOYSA-N 299.305 3.931 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCCC1CC1 1651577675 SAURMQREMOOJJJ-UHFFFAOYSA-N 271.751 3.972 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCCC(F)F 1655947954 CMPFRHQJRFIXAK-UHFFFAOYSA-N 281.693 3.827 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)cc(Cl)c1C(=O)O 1588691233 VCHHNOBQNZKDDR-MRVPVSSYSA-N 299.729 3.718 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2Cc1cc(C#N)ccn1 1653377738 WVNLLWCVPCOYFO-UHFFFAOYSA-N 291.398 3.813 30 20 CHED C[C@@H]1CCCN(Cc2cccc(C#N)n2)c2ccccc21 1659342876 MOXNNODDZPCMTQ-CQSZACIVSA-N 277.371 3.857 30 20 CHED CC[C@@H](C)[C@@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1 1655161134 WTHOOUFPLYAAJA-CHWSQXEVSA-N 296.374 3.987 30 20 CHED CC(CCC(=O)O)=NN=C1c2ccccc2-c2ccccc21 1592469875 BNAJXMHHGZSVQM-UHFFFAOYSA-N 292.338 3.745 30 20 CHED CCCCCCCC(=O)Nc1ccc(CC(=O)O)c(F)c1 1595705197 RFOQWNROVAMRRE-UHFFFAOYSA-N 295.354 3.752 30 20 CHED C[C@H](NC(=O)Nc1sccc1C#N)c1ccsc1 1671449800 OPWYFDMAIPXNDA-QMMMGPOBSA-N 277.374 3.564 30 20 CHED CC(C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)nc2)cc1 1776370438 FGHAYSDRNCTVAR-WMZJFQQLSA-N 295.338 3.799 30 20 CHED C[C@@H]1CC(=NNc2ccc(C(=O)O)c(F)c2)c2ccccc21 1776077005 PUOUYILPZMPACZ-SNVBAGLBSA-N 298.317 3.847 30 20 CHED CCC(=NNc1ccc(C(=O)O)nc1)C1CCCCC1 1776069353 FMDOLJQBCCCAHP-UHFFFAOYSA-N 275.352 3.538 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1ccc(F)c(C(=O)O)c1)C2 1777455764 XEWKEVYHPJSGAC-NTUHNPAUSA-N 296.297 3.655 30 20 CHED Cc1ccc([C@H](C)C=NNc2ccc(C(=O)O)cc2)cc1 1776012597 XBJFCEIXJFDFPV-CYBMUJFWSA-N 282.343 3.895 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1nccn1C(C)C 160792459 ARKZYZHHGYOCRP-UHFFFAOYSA-N 296.418 3.748 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 165135410 HLOCGYQSOCZDEH-JXMROGBWSA-N 268.360 3.614 30 20 CHED N#Cc1cc(NC[C@H]2CCC[C@@H](O)C2)ccc1C(F)(F)F 166866821 PDSQSSKFCOSJQS-GXFFZTMASA-N 298.308 3.540 30 20 CHED CCN(C(=O)CC1=CCCCC1)c1ccc(C#N)cc1 151905716 BMWGHNJJFKBBKJ-UHFFFAOYSA-N 268.360 3.802 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2(Cc3ccccc3)CC2)C1 152151524 JTYALIDXWLDKCU-DNVCBOLYSA-N 296.414 3.598 30 20 CHED C=CCCCCCN(C)C(=O)/C=C/c1cnc(C)s1 156761046 MOXMITXGSNWTQD-MDZDMXLPSA-N 278.421 3.670 30 20 CHED C#CCCCCNC(=O)N(Cc1ccccc1)[C@H](C)CC 154998602 PBSLIYSEOPFRPC-MRXNPFEDSA-N 286.419 3.800 30 20 CHED C=CCC[C@@H](NC(=O)N[C@H](C)C=C)c1ccccc1 159300763 VSULFQUVXQNZMF-UKRRQHHQSA-N 258.365 3.568 30 20 CHED Cc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)cc1C 208118115 NGAFQDMTSALQAG-FPLPWBNLSA-N 268.360 3.977 30 20 CHED COc1cc(C#N)ccc1NCc1ccc(Cl)cc1 127971338 QOLBTWJKWDUCMH-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@H]1CCC[C@H](C)N1CCCOc1cccc(C#N)c1 34674283 GBGWUAANLYTVBX-GJZGRUSLSA-N 272.392 3.590 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)CCCC(C)C)n1 308378463 OYXZZLGYHWITDA-GFCCVEGCSA-N 260.385 3.537 30 20 CHED N#Cc1ccnc(N[C@H]2CC3CCC2CC3)c1Cl 311140951 GDXRFAIWKPLOHB-CBINBANVSA-N 261.756 3.597 30 20 CHED CC(C)CCN(c1ncc(C#N)cc1Cl)C1CC1 513640327 MIWOBNSOMGJMMK-UHFFFAOYSA-N 263.772 3.622 30 20 CHED C=CCOCCOc1ccc(Br)c(Cl)c1 313531060 FBGBXPQVJWLXLD-UHFFFAOYSA-N 291.572 3.684 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 393793006 MYUOHXLKYSQIJD-OCCSQVGLSA-N 262.353 3.909 30 20 CHED C[C@@H]1CCC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 111143092 QLIJIXIWXJSHTR-MWLCHTKSSA-N 250.292 3.827 30 20 CHED COc1c(C)cc(C(=O)Nc2cccc(C#N)c2C)cc1C 179985203 VWAYSAOQLVJCON-UHFFFAOYSA-N 294.354 3.744 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC[C@H]1CC[C@H](C)O1 175839300 CDSJUSPDWAGOIS-DOTOQJQBSA-N 287.403 3.549 30 20 CHED C=C(C)COC(=O)c1cc(NC(=O)C(C)C)ccc1Cl 174022525 JKYSYYHOKDICAC-UHFFFAOYSA-N 295.766 3.667 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)Cc1cccs1 173042620 GJRFDVNRNBITRX-UHFFFAOYSA-N 299.399 3.623 30 20 CHED C=CCN1CCC(N[C@@H](C)c2cc(C)cc(C)c2)CC1 177904628 QVDADZMPRCHGHJ-INIZCTEOSA-N 272.436 3.604 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccsc1 174534702 MOHIWQCMOBLTSL-UHFFFAOYSA-N 261.321 3.511 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C#N)cc1 55780093 CVXWVDWLMGJYHF-GOSISDBHSA-N 290.366 3.844 30 20 CHED COCCOc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1 107099206 SZQKJQOOXZHIKF-DHZHZOJOSA-N 296.366 3.916 30 20 CHED C#CCCCOC(=O)Cc1csc(-c2cccc(C)c2)n1 170712553 YBKVCGMSGJSDQT-UHFFFAOYSA-N 299.395 3.618 30 20 CHED CCCCCC(=O)N[C@](C)(C#N)CCc1ccccc1 110014002 SFGMJTIKOOGLDE-KRWDZBQOSA-N 272.392 3.598 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 104416650 GNTMYBSAHLZYMH-SJCJKPOMSA-N 292.338 3.945 30 20 CHED N#CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 57875688 KMIGGLHMCKLTHO-UHFFFAOYSA-N 285.778 3.624 30 20 CHED CCC1(CC)CN(C(=O)C2(C#N)CCCCC2)CCS1 464276777 BQDZCPGYEXKGGI-UHFFFAOYSA-N 294.464 3.595 30 20 CHED C[C@H](C[C@@H](O)c1ccco1)Nc1cc(Cl)ccc1C#N 301904215 PMANLJGDKSPPEW-QMTHXVAHSA-N 290.750 3.729 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1nc(C(C)(C)C)cs1 301264759 HIFNDICDZYFSMT-JTQLQIEISA-N 286.404 3.880 30 20 CHED N#CCCCC(=O)NC1CCC2(CCCCC2)CC1 408235046 GXVVREFJIQJUBO-UHFFFAOYSA-N 262.397 3.690 30 20 CHED CC(C)OCc1cccc(NCc2ccc(C#N)o2)c1 174307034 CNNDIVSAERFZCP-UHFFFAOYSA-N 270.332 3.688 30 20 CHED C[C@H]1C[C@H](C(=O)OCc2cc(C#N)ccc2F)CC[C@H]1C 1265727603 QONLVDCVMNYJES-MBNYWOFBSA-N 289.350 3.813 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CC2CCCCC2)C1 116808154 SYUSMEDHAZJCQH-XJKSGUPXSA-N 262.397 3.545 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc2ncccc2c1 119187131 ANLPASJWEVYUFV-UHFFFAOYSA-N 281.403 3.997 30 20 CHED C=CCCCC(=O)Nc1ccc2c(c1)C(=O)CCC2 177980597 UBJOVPBABNPQOU-UHFFFAOYSA-N 257.333 3.500 30 20 CHED N#Cc1ccc(NCc2ccc(F)cc2C(F)(F)F)cn1 301551105 YGMGEBHFRHDHGW-UHFFFAOYSA-N 295.239 3.723 30 20 CHED Cc1cc(F)cc2c(N3C[C@H]4[C@H](C3)C4(C)C)c(C#N)cnc12 301466838 QHXBENCPWFDXQO-GJZGRUSLSA-N 295.361 3.646 30 20 CHED CCC(CC)n1ccc(CNc2ccc(F)c(C#N)c2)n1 69993853 ZLRTUNJEZJSLKD-UHFFFAOYSA-N 286.354 3.867 30 20 CHED Cc1ccc(OCCNc2cccc(F)c2C#N)c(C)c1 26760636 AYMWHJRSJWOZAA-UHFFFAOYSA-N 284.334 3.805 30 20 CHED C=CCCC(=O)Nc1ccc(C)c(-c2ncco2)c1 127962300 GLNOZLZWTIPHAN-UHFFFAOYSA-N 256.305 3.555 30 20 CHED CC(C)c1ncc(/C=C/C(=O)c2ccc(O)cc2O)s1 125620908 HRWBOQNSXAPOGO-GQCTYLIASA-N 289.356 3.574 30 20 CHED Cc1ccc([C@@H](C)N(C)CCOc2ccccc2C#N)cc1 60469147 UFQJAQASONLJOQ-MRXNPFEDSA-N 294.398 3.939 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(NC(C)=O)ccc1C 123407534 FREGXTWXSUTBQR-UHFFFAOYSA-N 286.375 3.660 30 20 CHED C=C(C)COCCNCc1ccc(-c2ccc(F)cc2)o1 125814425 ZTTQLTDGDYBHGI-UHFFFAOYSA-N 289.350 3.768 30 20 CHED N#CCCCOc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 129022862 SXZDEGWLCARXIC-UHFFFAOYSA-N 296.326 3.868 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2ccccc2)nn1 187994295 DYUPXMMNZWKUJW-KRWDZBQOSA-N 281.359 3.684 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccc(F)nc1 180842883 RDUWWCBAPGNXOI-UHFFFAOYSA-N 270.307 3.601 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccc(F)cc1Cl 185614472 OUHWNMWOPXIPOA-LLVKDONJSA-N 281.758 3.850 30 20 CHED N#CCCCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 128083823 JILUSGUWHMFVLH-UHFFFAOYSA-N 282.299 3.944 30 20 CHED C=CCOc1ccc(CN2CCOC[C@@H]2CC)cc1Cl 509771370 FTHOIPCEJALXJS-AWEZNQCLSA-N 295.810 3.516 30 20 CHED C=C(CC)CN[C@H](c1ccc(OC)cc1)C(F)(F)F 505993477 SRGGMTOYGMLLGG-CYBMUJFWSA-N 273.298 3.854 30 20 CHED O=C(/C=C/c1cc(F)c(F)cc1F)c1cccc(O)c1 129941589 SAUVCTKFMJFCJP-SNAWJCMRSA-N 278.229 3.706 30 20 CHED C=CCCOCCNc1cc(C#N)ccc1C(F)(F)F 128454791 LILNXJQMPKWVCT-UHFFFAOYSA-N 284.281 3.582 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cnccc1C(C)(C)C 412562535 IMVRRHJJPRNNPS-QGZVFWFLSA-N 274.408 3.598 30 20 CHED Cc1cc(C#N)ccc1CSc1nnc(C2CC2)s1 186286493 NSLVYOAMHMBKLH-UHFFFAOYSA-N 287.413 3.888 30 20 CHED C=CCC[C@@H](NCc1nc(O)cc(CC)n1)c1ccccc1 180038974 LJIQRWBXRKRNJO-MRXNPFEDSA-N 297.402 3.542 30 20 CHED CCc1cnc(CN(C)Cc2ccc(C#N)c(C)c2)s1 488453234 CDANMAIYSAIHRZ-UHFFFAOYSA-N 285.416 3.518 30 20 CHED Cc1cc(CNCCc2ccc(Cl)cc2)ccc1C#N 443991977 XSJKLZADZXCCLE-UHFFFAOYSA-N 284.790 3.852 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 180947940 KJUWTJAQUJRBTK-CHWSQXEVSA-N 287.382 3.935 30 20 CHED C[C@H](NC(=O)Cc1cccc(Cl)c1)c1cccc(C#N)c1 75270195 FPFZDZPCMMPQHC-LBPRGKRZSA-N 298.773 3.632 30 20 CHED CC[C@H]1CCN(Cc2ccc(C#N)cc2Br)C1 181144226 HPTNLAWGFNTYOA-NSHDSACASA-N 293.208 3.553 30 20 CHED CO[C@@](C)(C1CC1)[C@@H](C)Nc1ncc(Cl)c(C)c1C#N 413525307 YHDZKXOKHLVARK-MEBBXXQBSA-N 293.798 3.531 30 20 CHED C[C@H](N[C@H]1CCC[C@@H]2C[C@H]12)c1ccc(C#N)c(F)c1 414214797 TXSDVURYGUWPOY-MXZCIGPVSA-N 258.340 3.537 30 20 CHED C=C(C)[C@H](Nc1ccnc(C)n1)c1ccc(F)c(F)c1 185778415 DRSYUUSDKZIDSY-HNNXBMFYSA-N 275.302 3.793 30 20 CHED Cc1occc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 47375814 KXUMGWOFEJYEKF-CQSZACIVSA-N 276.295 3.626 30 20 CHED C[C@@H]1OCC[C@H]1SCc1ccc(C#N)cc1Cl 220979881 GGTKNWQRIJXXFJ-TVQRCGJNSA-N 267.781 3.622 30 20 CHED CN(CCCc1ccccc1)C(=O)Nc1cccc(C#N)c1 45959712 KJCJORZNVXTNTP-UHFFFAOYSA-N 293.370 3.655 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1ccc(C(C)(C)C)cc1 285286222 CENXUNILPGIQAH-KRWDZBQOSA-N 272.392 3.540 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cccc(C(F)(F)F)c1 44764752 CMJFKYGRSWAUBZ-UHFFFAOYSA-N 298.308 3.652 30 20 CHED CCOc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1CO 193536301 ATIIIUAOIVFSCZ-CYBMUJFWSA-N 296.370 3.622 30 20 CHED Cc1c(N=C(O)[C@H]2CCC(O)=NC2)sc2c1CCCC2 329689912 CUMDHXBTDRKANB-JTQLQIEISA-N 292.404 3.890 30 20 CHED O/C(Cc1ccon1)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329875450 GOBMOPLXFQFGSR-YNEHKIRRSA-N 262.353 3.533 30 20 CHED CC(C)(CNCc1ccc(OCC#N)cc1)c1ccccc1 192946515 VOPPZCQYJVXIQD-UHFFFAOYSA-N 294.398 3.656 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H](CC)SC)C(C)C)c1 133298943 RAWKDDNCNAPHGT-OAHLLOKOSA-N 275.417 3.551 30 20 CHED C=CCCCCCSCC1(CS(C)(=O)=O)CCC1 192543240 PHXQIPMDVZBPNC-UHFFFAOYSA-N 290.494 3.681 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)s1 134495764 BWOMGWKBMIAZFX-GORDUTHDSA-N 275.279 3.794 30 20 CHED C[C@@H](SCc1nc(C(F)F)no1)c1ccc(C#N)cc1 424123423 MFRLVLFWRBRHQZ-MRVPVSSYSA-N 295.314 3.873 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@H]1C(C)C)c1ccccc1 428015562 FACCEFOKXFHBRL-IRXDYDNUSA-N 271.404 3.993 30 20 CHED C[C@H](/N=C(/O)[C@@H]1CCCc2sccc21)c1ccon1 329197189 WCXHWIRZMUPHQB-GXSJLCMTSA-N 276.361 3.874 30 20 CHED N#Cc1ccc(CNC[C@H]2C[C@H]2c2ccccc2)s1 176967937 QWJAGUXWPXKKKL-CJNGLKHVSA-N 268.385 3.513 30 20 CHED CC(C)(C)c1cc(/C(O)=N/[C@H]2CC23CCCCC3)no1 329131842 YANRDNKUCCKJRA-LBPRGKRZSA-N 276.380 4.000 30 20 CHED C=C(CNC(=O)N1C[C@@H](C)CC1(C)C)c1ccccc1 512667505 PXGXHXWHZOXNCF-ZDUSSCGKSA-N 272.392 3.530 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2sccc2C#N)C1 130896572 QIQJPEMFTTUXMY-GHMZBOCLSA-N 262.378 3.775 30 20 CHED O/C(Cc1ccc2n[nH]cc2c1)=N/CC[C@H]1C[C@H]2CC[C@H]1C2 330024851 KDDALKCEKFDNMD-QEJZJMRPSA-N 297.402 3.888 30 20 CHED N#Cc1ccc(NC(=O)c2cccnc2Cl)c(Cl)c1 226346784 HECGQAXUUKNAAE-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@]23CCC[C@@H]2C3)c1 421474342 WWALKBQZLFXSMG-CXAGYDPISA-N 271.360 3.770 30 20 CHED O=S(=O)(/N=C(\O)CC1CCCCCC1)C1CCCC1 86056550 JQFGCIXFTRGJLD-UHFFFAOYSA-N 287.425 3.576 30 20 CHED C=CCSCCNC(=O)CCCCc1ccc(C)cc1 195731937 AACIZRDNXZNHCI-UHFFFAOYSA-N 291.460 3.743 30 20 CHED Cc1c(C#N)cccc1NC(=O)Nc1cccc2[nH]ccc12 192284197 XEUGNWUDJVYWHL-UHFFFAOYSA-N 290.326 3.992 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1cc(C)no1 332373894 DNPMBDSOGZFERE-OCCSQVGLSA-N 291.395 3.574 30 20 CHED O/C(=N/C[C@@H]1CCCCO1)Nc1cccc(C(F)F)c1 330446847 WEPYIKJVLFIZTN-LBPRGKRZSA-N 284.306 3.519 30 20 CHED COCC1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CCC1 337378817 CHBHZTAZWFSDPV-GOSISDBHSA-N 298.430 3.732 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(OC2CCCC2)CC1 424631927 SWGIBCBILYAVBQ-UHFFFAOYSA-N 279.424 3.539 30 20 CHED C=C1CCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 336601691 HXZMXPQCCVJSBA-RYUDHWBXSA-N 275.314 3.534 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccncc1 90665164 WJUXFTAAYJVSLA-PBHICJAKSA-N 265.360 3.777 30 20 CHED C=CCN(C)Cc1cc(C)c(C)cc1OC(F)F 428388398 IPJHYJPNPPKEJT-UHFFFAOYSA-N 255.308 3.523 30 20 CHED CC[C@H]1OCCC[C@@H]1C(O)=Nc1scnc1C1CC1 330250288 MXVJNVPPJUBMKL-WDEREUQCSA-N 280.393 3.814 30 20 CHED C[C@H](CC(C)(C)O)/N=C(/O)c1coc(C2CCCCC2)n1 331360266 XPFLLXZIERMSRH-LLVKDONJSA-N 294.395 3.576 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2ccc3c(c2)OCCCO3)C1 336193128 GWEWZIVHXHGNEB-VXGBXAGGSA-N 275.373 3.632 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc(Br)cc1 96305124 BSVUTQHUCAWGDV-BAQGIRSFSA-N 288.144 3.740 30 20 CHED C=C(C)COCCN[C@H]1CC[C@@H](Cc2ccccc2)C1 436286102 APHXIZDUXDDHOR-ROUUACIJSA-N 273.420 3.580 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 331970352 QXXZSEDDPJLBRE-DIFFPNOSSA-N 294.354 3.828 30 20 CHED C=CCOCCN(C)[C@@H](C)c1cc2ccccc2o1 338881243 QZDHXLIZEDEDOM-ZDUSSCGKSA-N 259.349 3.628 30 20 CHED C=CCC(C)(C)CNCc1ccc(N(C)C(C)C)nc1 339418063 WPPBELXUSPOTIC-UHFFFAOYSA-N 275.440 3.618 30 20 CHED CC[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(C)cc1 340065253 WZHIEBDLWYOWOW-GOSISDBHSA-N 292.382 3.942 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(F)cc2C#N)cc1 341208184 KYESTAZSSHKUPX-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CCC1(CC)CN(CC(C)(C)CCC#N)CCS1 344700709 HOTOGSJPMYIUQM-UHFFFAOYSA-N 268.470 3.924 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@H](CCC#N)c2ccccc2)C1 246426060 CIPLVZZAAQSMEM-HYVNUMGLSA-N 284.403 3.974 30 20 CHED C=CCCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 523957253 ZIDWZNMZRBKPHK-UHFFFAOYSA-N 291.354 3.906 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@H](C)CCC#N)CC3 602588056 KOFGPHJKPYILNX-CABCVRRESA-N 295.430 3.863 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)C1CCCCC1 436314573 YOZSCTJATXTHIG-KBMXLJTQSA-N 251.414 3.526 30 20 CHED CCN(Cc1c(F)cccc1F)C[C@@H](C)CCC#N 602452988 GFZCHSZWJBHEFI-LBPRGKRZSA-N 266.335 3.727 30 20 CHED CCCCc1oc2ccccc2c1CN(C)C(=O)[C@H](C)C#N 609920426 LNRLJSFWDXWNRK-CYBMUJFWSA-N 298.386 3.893 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 602290059 GQMOYGQKYHVRFE-RVSPLBMKSA-N 268.360 3.632 30 20 CHED C=CCn1c(SCCCOCC)nc2ccccc21 607436930 UKDHZHQFXPWURL-UHFFFAOYSA-N 276.405 3.741 30 20 CHED C=CC1CCN(CC[C@H](C)N2CCC(C=C)CC2)CC1 431598920 ZYWLTXGTULPSSI-INIZCTEOSA-N 276.468 3.561 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)c1ncccc1C#N 340770091 CTCXBTVJOIZNEJ-INIZCTEOSA-N 281.359 3.549 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1ccc(CC#N)cc1 343556925 RCUQPPYEEAUWQN-HNNXBMFYSA-N 276.383 3.699 30 20 CHED C=C(CNC(=O)C[C@@H]1CC[C@@H](C)C1)c1ccccc1 345747848 LSKDRAPJEFQHIK-UKRRQHHQSA-N 257.377 3.642 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2ccc(Cl)cc2C#N)CCO1 540039110 AUTKVFANRSUWKJ-HIFRSBDPSA-N 278.783 3.827 30 20 CHED N#CCCN[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 449285775 FVMHSODBIVTBJP-UKRRQHHQSA-N 262.784 3.554 30 20 CHED C=CCC1(C(=O)N(C)CC(F)(F)F)CCCCC1 448777289 KYQVLWIRRURPFM-UHFFFAOYSA-N 263.303 3.534 30 20 CHED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1cccs1 255379076 IUMJORIVIXWCMI-PLNGDYQASA-N 288.759 3.945 30 20 CHED Cc1cc(C)c(C#N)c(SCC[C@@H]2CCCCN2C)n1 340595272 IJFPGHTWIZUDIS-AWEZNQCLSA-N 289.448 3.537 30 20 CHED CC[C@@H](NC(C1CC1)C1CC1)c1ccc(C#N)cc1 447540135 IVIKNODEQURGGB-MRXNPFEDSA-N 254.377 3.788 30 20 CHED Oc1ccc(Cl)cc1/C=N\[C@H]1CCOC2(CCCC2)C1 255336840 NESDHCBHTFOACY-DZBQEORWSA-N 293.794 3.956 30 20 CHED C=CCC1(C(=O)NCCCN2CCCC[C@@H]2C)CCCC1 449103729 RUMKPABDJOKFBI-INIZCTEOSA-N 292.467 3.504 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)CCC1CCCCC1 604248028 YULISGVYQGXEPP-CABCVRRESA-N 281.440 3.833 30 20 CHED C=C(CC)CN[C@H]1CCC[C@@H](c2ncccc2C)C1 449734058 LSTPEMBLAAWALP-CVEARBPZSA-N 258.409 3.972 30 20 CHED CCCN(CC#N)Cc1nc(C2CCCCC2)cs1 444640616 OFGFHIAQNQDEBO-UHFFFAOYSA-N 277.437 3.926 30 20 CHED N#Cc1csc(CNc2cc3c(cn2)CCCC3)c1 359470874 XFLUQAFLQSFWGL-UHFFFAOYSA-N 269.373 3.506 30 20 CHED C=CCCOCCCCC(=O)N[C@@H](C)c1ccc(C)cc1 539366885 XTYJLIUKRDMKJO-INIZCTEOSA-N 289.419 3.935 30 20 CHED CN(CCCCNC1CCC(C)(C#N)CC1)c1ccccc1 449084094 FOQCTIIIFPUPHI-UHFFFAOYSA-N 299.462 3.965 30 20 CHED COC(=O)c1cccc(CS[C@@H](C)C(C)C)c1C#N 534429271 ZPYMINGUOKVKOV-NSHDSACASA-N 277.389 3.623 30 20 CHED CCN(CC)Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 442861221 SZINYNYXAVBRRW-DOTOQJQBSA-N 271.408 3.633 30 20 CHED CC(C)(C)CN(CCC#N)c1ccnc(-c2ccccc2)n1 534658471 NDEYNHOPJOXMTE-UHFFFAOYSA-N 294.402 3.910 30 20 CHED C=CCN(C(=O)N[C@@H](c1cccs1)C1CC1)C1CC1 536802551 OXIDVVQSIQPLLD-CQSZACIVSA-N 276.405 3.559 30 20 CHED CCCCCCCCC(=O)NCCCc1nccs1 264184573 ZXRACTQPRUVCOU-UHFFFAOYSA-N 282.453 3.943 30 20 CHED Cc1cc(C(=O)CSc2ccc(C#N)cc2F)c(C)[nH]1 356059021 NFMPLCOHEMTFDX-UHFFFAOYSA-N 288.347 3.617 30 20 CHED Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c(C)n1 611300588 QXSZBEZCHUXUKG-ZFWWWQNUSA-N 279.387 3.982 30 20 CHED N#Cc1cccnc1/C=C\c1csc(-c2ccccn2)n1 352021452 PGXLDEWYIUUHTO-SREVYHEPSA-N 290.351 3.642 30 20 CHED C=CCCC1(C(=O)Nc2ccc(F)cc2F)CC1 353331609 ASXBVCRHKPUXGG-UHFFFAOYSA-N 251.276 3.650 30 20 CHED Cc1cn(Cc2ccc(Cl)c3cccnc23)cc1C#N 610915413 CSELEWAWBDYTPT-UHFFFAOYSA-N 281.746 3.918 30 20 CHED C=CCC(CC=C)C(=O)N(C)C[C@@H]1OCCc2ccccc21 268133059 BBMQMTYDKSGPAG-SFHVURJKSA-N 299.414 3.527 30 20 CHED CC(C)N(CCC#N)C(=O)CCC(C)(C)c1ccccc1 532801969 ZUEOHCYRACXDHN-UHFFFAOYSA-N 286.419 3.895 30 20 CHED N#Cc1cc(CN[C@H]2CCCC[C@H]2c2ccccc2)ccn1 614326203 YTMCLBDUHCAHGE-OALUTQOASA-N 291.398 3.769 30 20 CHED Cc1ccc(CCCNCc2cc(C#N)cs2)c(C)c1 610488644 WDPJZJNRVTYIFE-UHFFFAOYSA-N 284.428 3.959 30 20 CHED C=C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 266971149 BOYYDVHRCBFMNN-UHFFFAOYSA-N 270.159 3.786 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](CCC)C(C)(C)C)OCC 452664913 VZROXKRWDMNBRN-KGLIPLIRSA-N 269.429 3.689 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(CCC#N)CC(F)(F)F 531374941 AHNNSOIHGVFWPH-VXGBXAGGSA-N 290.329 3.507 30 20 CHED C[C@@H](CSc1cccc(C#N)n1)c1ccccc1 530532808 FSCMAVDUUSUIPU-LBPRGKRZSA-N 254.358 3.849 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N=c1[nH]c2ccccc2s1 618694060 XDVSPARPXIVQLE-AWEZNQCLSA-N 291.379 3.689 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 450551339 ZPVNOGLNXVAROQ-UHFFFAOYSA-N 283.318 3.903 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(C)cccc1OC(F)F 454703867 GIIXDIJKHMPCEG-UHFFFAOYSA-N 298.333 3.930 30 20 CHED C=CCN(C(=O)c1cc(C)n(C(C)C)n1)c1ccccc1 459927599 DYUVBQYDAMLGKQ-UHFFFAOYSA-N 283.375 3.605 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 366069768 YPHKATHLFKHSLO-MJQMVNBJSA-N 296.414 3.721 30 20 CHED C=CC[C@H](CC)NC(=O)NC1CCC(CSC)CC1 454918622 RXYUGXJSJPGUBS-MOKVOYLWSA-N 284.469 3.562 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(C#N)c1 619746664 FQMJICHFRKZARN-LBPRGKRZSA-N 295.773 3.934 30 20 CHED COc1cc(-c2noc(-c3cccc(C#N)c3)n2)ccc1C 545569662 NGWOKTXUFKMRJZ-UHFFFAOYSA-N 291.310 3.592 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 454608642 ZLIUBHUQUNGDBR-WMLDXEAASA-N 298.430 3.822 30 20 CHED C=C(CNC(=O)[C@]1(C)CC=CCC1)c1ccccc1 452006392 OBQDIJZOTAJXMM-QGZVFWFLSA-N 255.361 3.562 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)cc1 610366896 VUBRSUPYGLEDNH-INIZCTEOSA-N 295.317 3.676 30 20 CHED Cc1nn(-c2ccccc2)c(CN(C)CCC(C)C)c1C#N 611346342 RPICPJHDJHSJBR-UHFFFAOYSA-N 296.418 3.530 30 20 CHED N#CCN(Cc1nc(Cl)ccc1Cl)C1CCCC1 274330279 QUKZCEMCLZIANT-UHFFFAOYSA-N 284.190 3.657 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@H]2CCC[C@H]2CCO)c1 275011626 JKUAKFHOKJEQCW-AAEUAGOBSA-N 298.308 3.540 30 20 CHED C=CC(C)(C)CNC(=O)N1CCCC[C@H](SCC)C1 458992341 WEWRKCOPDNGERS-ZDUSSCGKSA-N 284.469 3.516 30 20 CHED C[C@H]1CC/C(=C/C(=O)Nc2ccccc2O[C@H](C)C#N)C1 272672667 KPBBAXTWOJQVPU-UDVMBWJESA-N 284.359 3.662 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](c1ccccc1)C(F)F 455636318 CHCXUHNVNXBXAQ-OLZOCXBDSA-N 282.334 3.647 30 20 CHED C=CCC[C@H](N[C@H]1CCO[C@H](C2CC2)C1)c1ccco1 367592337 CCRVBNVOGUJMMA-ZOBUZTSGSA-N 275.392 3.834 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CCC1 450978881 GOXNPXOQFNDFAZ-RCCFBDPRSA-N 280.415 3.948 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(SC)ccc1C 274652992 NLMPURCZXQZTJJ-NSHDSACASA-N 277.393 3.531 30 20 CHED CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(F)cc1 541613597 DZZKJSXGCVUFDA-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CC1(C)CC[C@@H](NC[C@H](C#N)CCC#N)c2ccccc21 548788373 QNKBHMDYBFOUHN-WMLDXEAASA-N 281.403 3.832 30 20 CHED N#Cc1cc(N2CC=C(c3c(F)cccc3F)CC2)ccn1 376478834 VKFQDRSJSAWKPK-UHFFFAOYSA-N 297.308 3.525 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccco1 370467915 IVWQEHKNJTYPOL-IAGOWNOFSA-N 295.382 3.988 30 20 CHED C=C[C@H](C)NC(=O)CSc1ccc(C(C)(C)C)cc1 465108189 KFTFTCWKZQOZSG-LBPRGKRZSA-N 277.433 3.767 30 20 CHED C=CCN(C(=O)c1cccc(C(C)C)n1)C(C)(C)C 622944067 CIKZYLGSTUQQAJ-UHFFFAOYSA-N 260.381 3.632 30 20 CHED CCO[C@@H]1C[C@@H](NCc2ccccc2C#N)C12CCCCC2 559326833 CSDQAUFHALKNNI-QZTJIDSGSA-N 298.430 3.776 30 20 CHED CC(C)(C#N)CCCN[C@@H](CCO)c1ccc(Cl)cc1 286664324 AZZLQXHBCNIHJX-HNNXBMFYSA-N 294.826 3.683 30 20 CHED CCCC[C@H](CC)C(=O)N(CCC#N)CCC(C)C 468323617 MWBQLYMSDMWJJB-HNNXBMFYSA-N 266.429 3.991 30 20 CHED CC1(C)CN(C(=O)NCC#Cc2ccccc2)CC(C)(C)C1 467815402 LFFUFBLJDLQNEZ-UHFFFAOYSA-N 298.430 3.506 30 20 CHED Cc1cccc(CC(=O)N[C@](C)(C#N)C2CCCCC2)c1 554626761 CZCDMUNFYCBPRO-GOSISDBHSA-N 284.403 3.516 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN(CCCCC#N)CC3 370795316 HBWQRFFESHJITK-UHFFFAOYSA-N 267.376 3.528 30 20 CHED N#CC1(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 559334013 BWZSNSRKAJJGLU-MRXNPFEDSA-N 270.351 3.655 30 20 CHED CC(C)c1ccoc1C(=O)N(CC#N)c1ccccc1 284662661 MTVWOZHXJGUCMU-UHFFFAOYSA-N 268.316 3.573 30 20 CHED C=C(C)Cn1c(-c2sccc2C)nnc1N(CC)CC 460768776 GDIFUWHPPUEDHZ-UHFFFAOYSA-N 290.436 3.737 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2ccc(C#N)cc2F)C1(C)C 463477437 XJAWHUTWJUZNBZ-CABCVRRESA-N 276.355 3.701 30 20 CHED CCc1ccc([C@@H]2CCN(C(=O)[C@@](C)(C#N)CC)C2)cc1 554410766 VEBVHELDEIMIMN-SJLPKXTDSA-N 284.403 3.505 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H]1Cc1ccccc1Cl 472754964 STKPEJVPRCZLAY-CVEARBPZSA-N 293.838 3.674 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)[C@H]2CCC[C@H]21 552139687 RVXHQUJQCCDFNG-KGLIPLIRSA-N 260.406 3.630 30 20 CHED C[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(F)c1 297774400 PZWBUEYAINOOLI-SJKOYZFVSA-N 287.334 3.904 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2c2cc(C#N)ccn2)c1 557627478 LWJOYRWWTFAECI-QGZVFWFLSA-N 277.371 3.912 30 20 CHED CC(C)n1cc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)nn1 806573346 IHZGDYVAMIGQHJ-FSEGOYHTSA-N 293.370 3.559 30 20 CHED C=CC[C@@H](C(=O)OCCCCF)c1ccccc1 803448347 OTUXYPCSNLAITQ-CQSZACIVSA-N 250.313 3.639 30 20 CHED C=CCCCCCCNC(=O)c1cc(F)cc2nc[nH]c12 805220234 ITFATBNXKHEGDB-UHFFFAOYSA-N 289.354 3.568 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccoc1 471725066 DDQYLUIRCADNGL-UHFFFAOYSA-N 284.359 3.568 30 20 CHED C=CCCCCCCNCc1sccc1OC 808419366 QZJWXCFIELAULA-UHFFFAOYSA-N 253.411 3.983 30 20 CHED CC(C)(C(=O)[C@H](C#N)c1ccc2ccccc2n1)C1CC1 805845429 VMSFAQHBGPNLES-CQSZACIVSA-N 278.355 3.847 30 20 CHED Cc1cn(CCOc2ccc(Cl)c(F)c2)cc1C#N 565515433 UXYYWPXBPONAQY-UHFFFAOYSA-N 278.714 3.540 30 20 CHED Cc1ccccc1/C=C1\C[C@H](C(=O)O)c2ccccc2C1=O 806560407 LLUAYRCWJOLPST-SHRNQRGKSA-N 292.334 3.833 30 20 CHED C=CCCCCCCNC(=O)c1cnn(C(C)C)c1C 805218051 QLSSQMIRIDDAPY-UHFFFAOYSA-N 277.412 3.639 30 20 CHED CC(C)C[C@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1 801937952 AEEXMOFVMDPCJU-CJNGLKHVSA-N 294.826 3.945 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCCN(Cc2ccccc2)C1 393775528 FGTHXWXWMCXUOO-QZTJIDSGSA-N 272.436 3.595 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 641986410 IUDPFTMQXXBDSG-CZUORRHYSA-N 273.376 3.560 30 20 CHED C=CCCCCSCc1nnc(C)n1CCC 569579936 PIVKWRMVIGAYKN-UHFFFAOYSA-N 253.415 3.586 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1N(C)C1CCCC1 806350787 DXADMGBAMAYVMW-AWEZNQCLSA-N 299.418 3.599 30 20 CHED C=CCC[C@@H](C(=O)N1CCC(CF)CC1)c1ccccc1 295533726 BWMMKZBOLIPVOA-QGZVFWFLSA-N 289.394 3.945 30 20 CHED C#CCCCCNC(=O)Nc1ccc2cc(OC)ccc2c1 806619486 RHBXWWABQWFQOD-UHFFFAOYSA-N 296.370 3.773 30 20 CHED C=CCCCCNC(=O)N(C)C1CCC(C)(C)CC1 474076997 CFCWBESGALIAQK-UHFFFAOYSA-N 266.429 3.953 30 20 CHED CCCOc1ccc2c(c1)CCN([C@@H]1CC[C@@H](C#N)C1)C2 293904190 WHJMNKHFYZSVHL-RHSMWYFYSA-N 284.403 3.526 30 20 CHED C=CCOc1ccc(CNc2nc(C)cc(C)c2C#N)cc1 563642828 RUCVGXZGXPQHJP-UHFFFAOYSA-N 293.370 3.747 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1C1CCC1 565057211 ZIBPMPKELUPUCE-OAUYIBNBSA-N 282.387 3.514 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NC[C@@H]3CCCCS3)c2c1 488133095 YPTBCPJVYQXHIW-AWEZNQCLSA-N 297.427 3.534 30 20 CHED CCOc1c(Cl)cccc1CN1CCC(CC#N)CC1 563929349 JFWQMCQDVLXLFF-UHFFFAOYSA-N 292.810 3.864 30 20 CHED COc1cccc(O)c1C=Nc1cc(F)ccc1C 812389031 CBVLCJMXOOZBME-UHFFFAOYSA-N 259.280 3.599 30 20 CHED CC(C)(C#N)CC[S@@](=O)c1ccc2c(c1)CCCC2 567624869 NTZJGLWTJCJZCG-LJQANCHMSA-N 275.417 3.613 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C/c1cccc(F)c1C#N 811690829 HXYPGVWLPCJDCF-MDWZMJQESA-N 292.313 3.807 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 488806251 MZUVFTGQKKHNPN-UHFFFAOYSA-N 291.354 3.922 30 20 CHED C=C[C@H]1CCCCN1Cc1nnc(-c2ccccc2)s1 489461750 JAAMBMHDSKUENS-AWEZNQCLSA-N 285.416 3.746 30 20 CHED C=CC[C@H]1CCCN(Cc2c(C(=O)O)oc3ccccc23)C1 656760202 RBJOLJSCVUTXTC-ZDUSSCGKSA-N 299.370 3.919 30 20 CHED C=CC[C@H]1CCCN([C@H](C(=O)O)c2cccc(Cl)c2)C1 656759351 DDNZITGXFGPRNP-WFASDCNBSA-N 293.794 3.754 30 20 CHED C[C@@H](OC(=O)CCCC#N)c1ccccc1Br 812614103 FWSMKMRUKAPGIR-SNVBAGLBSA-N 296.164 3.747 30 20 CHED C=C[C@@](C)(CC)c1nc(C2(c3ccncc3)CCC2)no1 656035056 UDBPEMOJQCGAPZ-INIZCTEOSA-N 283.375 3.788 30 20 CHED C=C(C)CCN[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 652204491 UJAMACOAVYYLSS-AWEZNQCLSA-N 293.407 3.719 30 20 CHED CC#CCCNC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 483492805 VIZBJORFMFGKHV-UHFFFAOYSA-N 299.201 3.548 30 20 CHED C=CCCC1(C(=O)N2C[C@@H](C)Cc3ccccc32)CC1 483471672 RDMQJKRDMSQEFI-AWEZNQCLSA-N 269.388 3.958 30 20 CHED CCCC[C@H](CCC)OC(=O)c1ncc(C#N)cc1C 815341577 SBYHEZCTEAKQBF-AWEZNQCLSA-N 274.364 3.777 30 20 CHED Cc1ccc([C@H]2CCN(c3nccc(C)c3C#N)C2)c(C)c1 480561323 ZFHBSSQRNZIQMB-INIZCTEOSA-N 291.398 3.872 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1nccc2ccccc12 810209619 UCYCLXXTZMYMAF-AWEZNQCLSA-N 287.366 3.957 30 20 CHED CC#CCN(C)[C@H](C)Cc1ccccc1C(F)(F)F 572909294 LCOOQKNKCDDNMG-GFCCVEGCSA-N 269.310 3.592 30 20 CHED C=C(CNC(=O)NC(C)(C)c1ccccc1)c1ccccc1 489980935 UAIAFUBSLTUGMC-UHFFFAOYSA-N 294.398 3.934 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 813244640 KXMRYYXSYKOGBN-UHFFFAOYSA-N 294.738 3.955 30 20 CHED COc1ccc(C(=O)/C=C/c2c(C)cccc2C)cc1O 811699731 YOZAWILOLITXRD-CMDGGOBGSA-N 282.339 3.914 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@H](C(C)C)c2ccccc21 816507392 GBZSZAOAGFCWAE-CYBMUJFWSA-N 279.330 3.984 30 20 CHED CC(C)[C@H]1CC(=NNCc2cccc3cccnc23)CS1 814803298 CQXMUMGCKXIRSO-MRXNPFEDSA-N 299.443 3.842 30 20 CHED CSC1(C=NNc2cc(Cl)nc(Cl)c2)CC1 819828914 UTFZKEZIIFOZGH-UHFFFAOYSA-N 276.192 3.682 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)s2)C1 487319074 ILYHHUDICPYPMI-NEPJUHHUSA-N 276.405 3.564 30 20 CHED Cc1cccc2sc(NC(=O)c3ccc(C#N)s3)nc12 486823655 KRNAULOWFYPTBW-UHFFFAOYSA-N 299.380 3.790 30 20 CHED CC1=C(C)C[C@H](C(=O)OCc2ccc(OCC#N)cc2)CC1 829804198 FEKNABHHFSMOHT-MRXNPFEDSA-N 299.370 3.769 30 20 CHED CC#CCCNCc1cc(C(F)(F)F)ccc1Cl 499214024 ODSDXZMCXBAKFM-UHFFFAOYSA-N 275.701 3.862 30 20 CHED C=CC[C@@H]1CCCN(C[C@H]2CCCCN2C(C)C)C1 661384079 GPRDPEHYGPLDEM-IAGOWNOFSA-N 264.457 3.537 30 20 CHED CCOC(=O)CC[C@@H](C)Sc1cccc(F)c1C#N 577076837 DUDLPLHEUDDNGM-SNVBAGLBSA-N 281.352 3.521 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(CCC)s1 498032393 DNODAWVSDWQIFR-UHFFFAOYSA-N 252.383 3.636 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cccc(-c2cccs2)c1 491671431 WTVBZKDLPMDPJB-GFCCVEGCSA-N 284.384 3.901 30 20 CHED C#CCN(C(=O)C[C@@H](C)CC(C)C)C1CCCCC1 727667914 USBIVGWRGWMGHO-HNNXBMFYSA-N 263.425 3.853 30 20 CHED C[C@@H](C#N)CNC(=O)C1(Cc2cccs2)CCCCC1 580923837 OLXNGINFQYFLJW-ZDUSSCGKSA-N 290.432 3.517 30 20 CHED C#CCN(CC)C(=O)Nc1cc(C)ccc1C(F)(F)F 825440762 KLUVRUOXBFSJJC-UHFFFAOYSA-N 284.281 3.501 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(C2CCC2)cc1 494788062 ONFMCGPUJJURCD-UHFFFAOYSA-N 272.392 3.672 30 20 CHED N#Cc1ccc(N2CCC[C@@H]3C[C@H]32)c(C(F)(F)F)c1 588066477 QFPCQJQANJDQRO-ZWNOBZJWSA-N 266.266 3.566 30 20 CHED CC(C)C#CC(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 822442087 ZAISGKHICPYRTM-INIZCTEOSA-N 298.430 3.516 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCC(C)(C)C1 490015820 WFWDEDZYVJRUSY-CYBMUJFWSA-N 251.414 3.921 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(Cl)cc1F 588542903 ZZURZDOTNYMMCM-ALCCZGGFSA-N 292.741 3.726 30 20 CHED N#Cc1ccnc(CNc2ccccc2OC2CCCC2)c1 901373543 LFVUMTMKZQUKFT-UHFFFAOYSA-N 293.370 3.887 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(O)cc1Cl 824633500 AGGLZIHVTWKHPJ-SECBINFHSA-N 253.729 3.586 30 20 CHED C/C=C/C=C\C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 491637229 IEMAJBRYCFLBAS-XGZSANEKSA-N 295.169 3.807 30 20 CHED COc1cc(/C=C\C(=O)c2ccsc2)ccc1C 588598709 WAXVESLKWHTOJX-WAYWQWQTSA-N 258.342 3.961 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](CC)c2ccncc2)C1 664208702 NRIYFAWUSSUXMJ-GDBMZVCRSA-N 287.407 3.530 30 20 CHED Cc1ccc(/C=C\C(=O)c2sccc2O)cc1[N+](=O)[O-] 588495692 WQADIEABQGSEBX-PLNGDYQASA-N 289.312 3.566 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2ccc(F)nc2)c1 588523957 MBJUEBCXIQQJBH-HYXAFXHYSA-N 255.292 3.734 30 20 CHED N#CC1(c2ccccc2-c2cncc(OC(F)F)c2)CC1 906207511 KFESQHQQJCIQMO-UHFFFAOYSA-N 286.281 3.905 30 20 CHED CCCCN1CCC(N[C@@H](CC)c2cccc(C#N)c2)CC1 902779662 YUXZIMMFJFHURJ-IBGZPJMESA-N 299.462 3.863 30 20 CHED CC(C)CN(CCC#N)C(=O)/C=C\C1CCCCC1 735466805 NLEOZIHTIZSDBG-KTKRTIGZSA-N 262.397 3.521 30 20 CHED C=CCONC(=O)N(CCCC)[C@H](C)c1ccccc1 838704342 TXSBQUABUUEGIG-CQSZACIVSA-N 276.380 3.677 30 20 CHED N#CCCCCCC(=O)N(CCC(F)(F)F)CC1CC1 588637677 CFLDHOKVDPSTSL-UHFFFAOYSA-N 290.329 3.651 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1scc(C)c1C#N 905521184 RKOSULLYINUJKT-GFCCVEGCSA-N 284.384 3.979 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)C1CCC1 838782368 KUGZDGJTHYYUEC-DOMZBBRYSA-N 278.355 3.847 30 20 CHED C=CCCCCCN[C@H](C(=O)O)c1ccc(Cl)cc1 905373627 MZUPJDKCOOUFED-AWEZNQCLSA-N 281.783 3.802 30 20 CHED COc1ccc(CCNN=Cc2c(C)cc(C)cc2C)cc1 737441154 XACGGBZOGLVDKJ-UHFFFAOYSA-N 296.414 3.787 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@@H](C)CC[C@@H]2C)n1 834963262 SLOHISLHOYJIQD-IUCAKERBSA-N 266.776 3.662 30 20 CHED CC[C@H](C)[C@H](C(=O)Nc1cccc(C#N)n1)c1ccccc1 583754252 FDRHMZKKVVLDBZ-GUYCJALGSA-N 293.370 3.722 30 20 CHED Cc1cc(F)ccc1C=NNc1cccc(C(F)(F)F)n1 739422848 YYSKJPMJFXPVEL-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nc(C)cs1 835034321 ADYPIIQIMNPTSK-RYUDHWBXSA-N 264.394 3.700 30 20 CHED CSCC[C@@H](C)OC(=O)C[C@H](CC#N)c1ccccc1 835815157 ZHLBHEADYKBYNN-HIFRSBDPSA-N 291.416 3.759 30 20 CHED N#CCCCOC(=O)c1cc(Oc2ccccc2)ccc1O 738869065 AOOJCPRLURGMNP-UHFFFAOYSA-N 297.310 3.645 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@@H](C)CSc2ccccc21 839311741 XFDHXTBIAIDYBZ-LLVKDONJSA-N 297.370 3.973 30 20 CHED C#Cc1cccc(CN[C@H](CC(C)C)c2ccccn2)c1 834903376 OWVHVERHNLXDCN-LJQANCHMSA-N 278.399 3.940 30 20 CHED CSCCCCc1noc(/C=C/c2ccccc2C#N)n1 903792301 JTUFOBWAKJWPQH-MDZDMXLPSA-N 299.399 3.797 30 20 CHED Cc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)cc1F 731487509 YXURXQVZOKTXFN-UHFFFAOYSA-N 287.294 3.797 30 20 CHED CCCC[C@@](C)(F)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 834678020 CQMSBQSCYQLQEP-NVXWUHKLSA-N 288.366 3.580 30 20 CHED N#CC1CCC(CNC(=O)/C(F)=C/C2CCCCC2)CC1 831223464 XBJGGKLVKARGRA-YBEGLDIGSA-N 292.398 3.866 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H]2C[C@@H]21 588066048 HLPKKJWEQAZZDT-BONVTDFDSA-N 283.762 3.749 30 20 CHED Cc1ccc(OCc2nc(C=NOC(C)C)cs2)cc1 835004460 OHQWADGRAWTXSU-UHFFFAOYSA-N 290.388 3.789 30 20 CHED CC(=NOCc1ccccc1)c1ccc2c(c1)CCO2 839423421 ONDPCKGNDLXDNC-UHFFFAOYSA-N 267.328 3.562 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(N(C)C)cc1 735615069 KOHBFLBHWZXYMJ-UHFFFAOYSA-N 289.329 3.867 30 20 CHED C=CCC(F)(F)C(=O)Nc1cnc(C(F)(F)F)cc1C 839357826 JCQXXVYPPJUFMI-UHFFFAOYSA-N 294.223 3.559 30 20 CHED N#CC1(C(=O)N2CC[C@@H](C3CCCCC3)C2)CCCCC1 598151081 QPBHIPWVXPOTBL-MRXNPFEDSA-N 288.435 3.889 30 20 CHED O=C(C#CC1CC1)N1CC2(CCCCC2)[C@H]1c1ccccc1 838057710 YCOQCJDYSGNTIH-LJQANCHMSA-N 293.410 3.934 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)c1ccsc1 595055901 MGQPJJIMAFHOJM-LBPRGKRZSA-N 256.374 3.513 30 20 CHED C=C(C)CNC(=S)N(C)[C@H](CC)Cc1ccc(C)cc1 741882365 QELKQVJMWVVQCA-MRXNPFEDSA-N 290.476 3.699 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 838129044 HXJADRUMSDMGTL-IJEWVQPXSA-N 297.398 3.967 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)C(C)C 747857172 NTMNDYRVUXKVBT-CHWSQXEVSA-N 263.406 3.583 30 20 CHED CC(C)(C#N)CC(=O)OCCSc1cccc(Cl)c1 849763647 HWCCVCWPAUZAIA-UHFFFAOYSA-N 297.807 3.915 30 20 CHED Cc1csc(NC(=O)N(C)CCC(C)(C)C)c1C#N 594105185 NXKARLGXXSGFMX-UHFFFAOYSA-N 279.409 3.828 30 20 CHED C#CCN(C(=S)N[C@H]1CCCC[C@@H]1C)C1CCCCC1 743584680 CBUXFBYIFKWCBQ-HOCLYGCPSA-N 292.492 3.708 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@](C)(C#N)CC(C)C)cc1C 597043643 VZJBPQJXIHLZCC-SCTDSRPQSA-N 298.430 3.852 30 20 CHED O=C(/C=C\c1cc2cnccc2o1)C1CCCCC1 844549347 NTSFTRUJFIDYKK-SREVYHEPSA-N 255.317 3.990 30 20 CHED Cc1ccoc1C=NNc1cccc(Cl)c1F 743436228 UAPXUPPUCZVLHQ-UHFFFAOYSA-N 252.676 3.827 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 597503896 XHQNFVHFGSGHQS-JFIYKMOQSA-N 288.435 3.745 30 20 CHED C[C@H](OC(=O)c1cccc(C2CC2)c1)C(C)(C)C#N 847667955 PKRBKWJDCHRBTR-NSHDSACASA-N 257.333 3.659 30 20 CHED C[C@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)C(F)(F)F 598885965 AAWMEZVUVQKQRT-SNVBAGLBSA-N 296.292 3.642 30 20 CHED C=CCNC(=S)Nc1cccc(COC(C)(C)C)c1C 747672638 LKMQISZMNYYUBW-UHFFFAOYSA-N 292.448 3.783 30 20 CHED N#Cc1c(N2CC[C@@H]2c2ccc(F)cc2)ncc2c1CCC2 596440575 KGUOGGAIAOPTAG-QGZVFWFLSA-N 293.345 3.532 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cccc(OCCC(C)C)c1 844521507 TVOBXJYSAXXAMZ-ZDUSSCGKSA-N 292.379 3.739 30 20 CHED CCOc1ccc(/C=N/CC[C@@H](OCC)C(C)C)c(O)c1 746394056 NITFYUNUCLWRLA-YPOUMIDOSA-N 293.407 3.661 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccco1 744015087 GCTWORWXTJQOLS-TZMCWYRMSA-N 290.322 3.808 30 20 CHED C[C@@H]1C[C@H]1C/N=C(/Nc1ccccc1)N1CCCCC1 849064122 ZTAAAKLCPFGIPI-CABCVRRESA-N 271.408 3.596 30 20 CHED CCOC1CCC(N[C@H](CCC#N)c2ccccc2)CC1 595021366 CMZRLTBQOCIZDQ-DAWZGUTISA-N 286.419 3.969 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC)C1CC1 595790177 UPTIXNFCTNHUQZ-QGZVFWFLSA-N 299.418 3.668 30 20 CHED Clc1ccc(NN=C2CCCOc3ccccc32)cn1 743449899 HFTXGISCOVHRQM-UHFFFAOYSA-N 287.750 3.724 30 20 CHED C#CCN(CC)C(=O)c1ccc(C2CCCCC2)cc1 919876413 LTBUXDYFJZCFMA-UHFFFAOYSA-N 269.388 3.830 30 20 CHED N#CC1(NC(=O)CC(C2CCC2)C2CCC2)CCCCC1 599245969 XBFIZQQNVGPJES-UHFFFAOYSA-N 288.435 3.936 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N(CCC#N)C(C)C)cc1C 597041125 GEBLXMQGQHQHMM-DLBZAZTESA-N 284.403 3.558 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(-c2ccccc2OC)[nH]n1 682404043 VVOVHCDNTHTINA-QGZVFWFLSA-N 299.374 3.626 30 20 CHED CC[C@H](C#N)C(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C 593704289 DFIMWEPLHBKOTJ-DOMZBBRYSA-N 292.810 3.746 30 20 CHED COc1ccc(-c2ccccc2C[C@@H](O)C(C)C)cc1C#N 596637517 YYOKLMBNAKLHAQ-GOSISDBHSA-N 295.382 3.793 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCCc2ccc(F)cc2)C1 847075903 DKYMQTBFHKNRJE-HOCLYGCPSA-N 289.350 3.774 30 20 CHED C#C[C@H](OC(=O)[C@H](CC)OC1CCCC1)c1ccccc1 842363895 DIJHBECKHRWYGK-IRXDYDNUSA-N 286.371 3.642 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]2CCC[C@@H]21 593985650 JHDLBZSYYLYWHZ-JLSDUUJJSA-N 296.414 3.528 30 20 CHED C[C@H](CC(=O)OCc1cccc(C#N)c1)c1ccc(F)cc1 917996750 VRFPXVUUEDQYPW-CYBMUJFWSA-N 297.329 3.934 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1cccnc1 917552290 PSZSHEKEVSOZBV-UHFFFAOYSA-N 265.360 3.797 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCC[C@H]1F 591252898 FLQAJGHBNPJZRU-BRWVUGGUSA-N 272.367 3.806 30 20 CHED CCOc1cccc(/C=C2/Oc3ccc(F)cc3C2=O)c1 749748955 REFCFKRYIBWDGO-CXUHLZMHSA-N 284.286 3.841 30 20 CHED CCc1nc([C@H](C)N[C@H](C)CC(C)(C)C#N)cs1 925031639 BOFGXYAPZIUQBP-MNOVXSKESA-N 265.426 3.684 30 20 CHED COc1cc(C(=O)/C=C/C=C\c2ccccc2)ccc1O 920244426 VBVRCLPCVZYQPG-VTBWALSUSA-N 280.323 3.853 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cc(C)ccc1O 920386159 SJIRNCNKKAFGGQ-ZDUSSCGKSA-N 268.360 3.775 30 20 CHED CC(C)(CC#N)CNC(=O)OCc1cccc(Cl)c1 859184694 OYYBPUYCFILGSL-UHFFFAOYSA-N 280.755 3.506 30 20 CHED CC(C)C#CC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 854935151 JRIKYXKVIMXVKU-GOEBONIOSA-N 289.806 3.752 30 20 CHED N#C[C@@H](C(=O)[C@H]1CC12CCC2)c1ccc2ccccc2n1 759815915 VBSZOLGIJTWKSC-ZIAGYGMSSA-N 276.339 3.601 30 20 CHED C#CC[C@@H](NC(=O)N1CCCC(C)(C)CC1)c1ccccc1 757771301 DFYUVYDNBZAMLN-QGZVFWFLSA-N 298.430 3.973 30 20 CHED Cc1cccc(/C=C2/COc3c(F)cccc3C2=O)c1 921266360 OMHSCGGRTRZGHU-LCYFTJDESA-N 268.287 3.793 30 20 CHED CC(C)C[C@H](C)OCCC(=O)O[C@H](C)CC(C)(C)C#N 851210832 YLFUQYLNZBURNN-UONOGXRCSA-N 283.412 3.699 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(Cl)s2)s1 750394237 DBZWFUUBGKBQEV-UHFFFAOYSA-N 283.761 3.692 30 20 CHED Cc1ccc(C(=O)OCc2ccc(F)c(C#N)c2)c(F)c1 758957384 XLGFUGOVYQNNQR-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCc1cccnc1Cl 851203353 TVGOVCSCWKAKHN-NSHDSACASA-N 294.782 3.539 30 20 CHED N#Cc1cc2ccccc2nc1NCc1ccc(Cl)nc1 750018572 PRZYWSIDVBMXHR-UHFFFAOYSA-N 294.745 3.767 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1cc(F)ccc1F 759077847 ZMMMEGYJVXYPMO-ARJAWSKDSA-N 285.702 3.971 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H](C)CCC(C)(C)C 754393299 XGTBNAGHAYLKPT-AWEZNQCLSA-N 266.429 3.847 30 20 CHED CC(CCc1cccc(F)c1)=NNc1nc(C)cc(C)n1 920360242 VFQODXMQVBALNP-UHFFFAOYSA-N 286.354 3.653 30 20 CHED COc1cccc(/C=N\C2CCCCCCC2)c1O 920942550 JMKTYEOKGDCBFI-ATVHPVEESA-N 261.365 3.933 30 20 CHED COc1ccc(NN=Cc2ccccc2Cl)cc1 750921459 JZXGVBYNXNUFMU-UHFFFAOYSA-N 260.724 3.795 30 20 CHED N#Cc1ccc(CNN=C/C=C/c2ccc(F)cc2F)cc1 758129233 NULAEDRDYSWVFL-UGUHGPHQSA-N 297.308 3.625 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCc2ccc(F)cc21 925375886 VBVPAYLGQFXOAZ-ABAIWWIYSA-N 260.356 3.731 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC(=O)c2ccccc21 851203794 FOLZHIJAURGSEU-DOMZBBRYSA-N 299.370 3.618 30 20 CHED CCN(C(=O)/C(C)=C\c1ccc(Cl)cc1)[C@H](C)C#N 856074604 BFRQFPMQAJNLRM-UCQJPZFISA-N 276.767 3.504 30 20 CHED C[C@@H](CC(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 758906380 HTINYYZZSPKKGV-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1O 757475546 SNVFHWRHZWESSY-VNQMDCGWSA-N 295.294 3.753 30 20 CHED CC(C)=C(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 757381519 HLNPXMLOJWJBSL-UHFFFAOYSA-N 282.265 3.872 30 20 CHED Clc1ccccc1-c1cc(CON=CC2CC2)no1 853735982 HHSSXWAJNGWQCC-UHFFFAOYSA-N 276.723 3.907 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](C)[C@H](CO)C1 857364842 MCCOVSMKRCOMNG-IRXDYDNUSA-N 297.483 3.994 30 20 CHED COc1ccc(NN=C[C@@H]2C[C@@H]2c2ccccc2)cc1 755800693 DYGZCEIVJBABIV-WMLDXEAASA-N 266.344 3.897 30 20 CHED C=C(C)CNC(=S)N[C@@H](CC)CSc1ccccc1 752786544 OVHCDLAEHTTXKP-ZDUSSCGKSA-N 294.489 3.598 30 20 CHED CC1(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CCC1 750705709 IVHWPFACITYETG-JTQLQIEISA-N 288.347 3.802 30 20 CHED C=CCN(C(=O)Cc1cccc(C)c1Cl)C(C)C 754516877 NSZLWGSYZVXNAX-UHFFFAOYSA-N 265.784 3.614 30 20 CHED C#CC[C@@H](/N=C/c1cccc(OC)c1O)c1ccccc1 756847448 SUIDCFNZTRVHEM-CXDFQFJYSA-N 279.339 3.584 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H]1CCC[C@@H](C)C1 930014326 HURCJFLAEUAUSM-DOMZBBRYSA-N 270.376 3.517 30 20 CHED Cc1cccc(NN=Cc2cnc(Cl)c(C)c2)c1 760216033 NNMDNONLCCDJRF-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C=CCCC(=O)O[C@@H](COC(C)C)c1cccc(F)c1 760651495 MWMGXZUTPDZYAD-HNNXBMFYSA-N 280.339 3.801 30 20 CHED C=CCCCC(=O)Nc1ccn([C@H](C)c2ccccc2)n1 760093212 XBXZBKGUPPFVSB-CQSZACIVSA-N 283.375 3.787 30 20 CHED CNc1ccc([N+](=O)[O-])cc1N[C@H](C)c1cccc(C#N)c1 864039273 AWQXGINVOWWRQY-LLVKDONJSA-N 296.330 3.681 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 767090242 BLROBOWIQNGEJO-HXUWFJFHSA-N 297.442 3.907 30 20 CHED CCOc1cccc(C=NNc2cccc(Cl)c2)n1 763117483 VMCMDODGYSAJRC-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(C)c1ccc(CC=NNc2ccc(F)cn2)cc1 760248714 JNOOBVMQYHBRQN-UHFFFAOYSA-N 271.339 3.985 30 20 CHED C#CC[C@H](NC(=O)CCCCCCC(C)=O)c1ccccc1 765234054 UHNZCDFXDVXPAF-SFHVURJKSA-N 299.414 3.797 30 20 CHED CO[C@H]1Cc2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2C1 760882111 IVCHRNZAHBSZBH-DJJJIMSYSA-N 292.382 3.845 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1ccc2c(C)cc(=O)oc2c1 935978000 PXFNMCRDZMMNGV-ZDUSSCGKSA-N 299.370 3.667 30 20 CHED CC(C)(C(=O)NCC#Cc1ccccc1)C1CCCCC1 766322394 QBXQWDGSHWELJA-UHFFFAOYSA-N 283.415 3.761 30 20 CHED C#CCCCCc1nc(C2(c3ccccc3)CCC2)no1 763312883 MARWJHWQDIAVKF-UHFFFAOYSA-N 280.371 3.886 30 20 CHED CCC(CC)[C@@H](C)C(=O)Oc1ccc(C#N)c(OC)c1 767167675 WDKICHPYIMGHMR-LLVKDONJSA-N 275.348 3.545 30 20 CHED C#C[C@@H](Cc1ccccc1)OC(=O)C[C@H](C)c1ccco1 860619544 YBJNKBLLTFNDJR-HOCLYGCPSA-N 282.339 3.561 30 20 CHED Fc1ccc2nc(C=NOCCC(F)(F)F)sc2c1 761826952 KYYYLQOWSYZELR-UHFFFAOYSA-N 292.257 3.738 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc([N+](=O)[O-])cc1 769840420 KSMFGWUNDCZZAE-UHFFFAOYSA-N 287.294 3.878 30 20 CHED C[C@@H]1CCCC(=NNc2ccnc(Br)c2)C1 769804086 HMXSJRVIPOMWLB-SECBINFHSA-N 282.185 3.822 30 20 CHED CC(=O)c1ccc(N(C)C(=O)CC2(C#N)CCCCC2)cc1 876466403 COZMDHYYBTUXKN-UHFFFAOYSA-N 298.386 3.716 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](CC)C1CCC(C)CC1 764783949 LGFLJBXXJDEUSQ-HOAMVYINSA-N 251.370 3.684 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@@H]1CCO 779536371 MVBHGGTYYHCNMS-HZPDHXFCSA-N 298.471 3.539 30 20 CHED C#CCCN[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 775022827 YQANPFSCURWFGW-AWEZNQCLSA-N 287.403 3.691 30 20 CHED CC(C)[C@@H]1CC(=NN[C@H](C)c2ccccc2)CCO1 776765477 AGAXGAGFFNLAFR-CJNGLKHVSA-N 260.381 3.528 30 20 CHED CC(C)[C@@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 776391022 JHNGVXMXRKOZKL-OAHLLOKOSA-N 273.376 3.909 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 878626171 OEWCJUOBZGRDTL-DOTOQJQBSA-N 287.403 3.625 30 20 CHED C=C1CCN(C(=O)N[C@@H](CC)c2ccc(F)cc2)CC1 1119969808 XYHJGHWBMSOHNP-HNNXBMFYSA-N 276.355 3.638 30 20 CHED C=C(CC)COC(=O)[C@H]1CCSc2ccccc21 773519966 BSCOUYMOWVENGI-ZDUSSCGKSA-N 262.374 3.775 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1ccccc1F 777912197 SLQQSXWQGGJYPN-VURMDHGXSA-N 289.237 3.769 30 20 CHED C#CCCCCCCN[C@@H]1CC[C@@H]2SCCS[C@H]21 877129762 PVRAUVJVVXLGPV-ILXRZTDVSA-N 283.506 3.539 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)c1ccc(C#N)cc1 774256576 WUPSHLLEUNQFHI-GOSISDBHSA-N 293.345 3.810 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 772600766 ZDJOZFDCSPNHRK-KDOFPFPSSA-N 295.386 3.643 30 20 CHED CCCCO[C@H]1CC(=NOCCC(F)(F)F)C1(C)C 777460130 VHMPBWQHMMWRNB-NSHDSACASA-N 281.318 3.927 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@@H](C)[C@H](C)C1 773092805 GJIYXLWGLOIUDJ-VXGBXAGGSA-N 260.385 3.824 30 20 CHED CC(C)CC1(CNC(=O)Cc2ccccc2CC#N)CCC1 776978813 NDXULMQTHUMNGU-UHFFFAOYSA-N 298.430 3.628 30 20 CHED Cc1cc(C)c(C)c(OC(=O)Cc2ccccc2CC#N)c1 776750273 OWTDWGOEIOIJMN-UHFFFAOYSA-N 293.366 3.826 30 20 CHED CSc1ccc(C(=O)/C=C\c2ccn(C)n2)c(Cl)c1 773161318 PQGVXPLVPYGPNL-UTCJRWHESA-N 292.791 3.692 30 20 CHED N#CCCCCOC(=O)C1(Cc2cccc(F)c2)CCC1 774097182 WDUGBXXMTYCPIS-UHFFFAOYSA-N 289.350 3.776 30 20 CHED CCC(=NN[C@H](Cc1ccccc1)C(C)C)[C@H]1CCOC1 777448767 QKOBYPLOCRTHCJ-FUHWJXTLSA-N 288.435 3.646 30 20 CHED CCCCN(C(=O)Cc1ccccc1CC#N)[C@H](C)CC 776807396 RJYSBTWRNPIWIP-OAHLLOKOSA-N 286.419 3.722 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ncc(C)cc2C)c1 779902414 PVTHRZARCJEYMG-UHFFFAOYSA-N 296.370 3.906 30 20 CHED CCC1(CC)C(=NOCCC(F)(F)F)C[C@@H]1OC 777461031 SFZQNUDUXWGVBE-JTQLQIEISA-N 267.291 3.537 30 20 CHED C#CCN[C@H](CCC=C)c1ccc(C(F)(F)F)cc1 775554323 WTBLSSXXEMVHSS-CQSZACIVSA-N 267.294 3.936 30 20 CHED C[C@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 772744804 GTFPNNYFSKBIDB-AWEZNQCLSA-N 279.339 3.600 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)C1CC=CC1)c1cccs1 1123008114 CGGSALYLOOVZRF-RISCZKNCSA-N 275.373 3.848 30 20 CHED N#Cc1cncc(NC2CCC3(CCCCC3)CC2)n1 1458316064 QCPBMWCAORMHEQ-UHFFFAOYSA-N 270.380 3.653 30 20 CHED CCCCCCCCCC(=O)N1CC[C@](F)(C#N)C1 786234531 WECCEOVDWRNVMA-HNNXBMFYSA-N 268.376 3.591 30 20 CHED C[C@@H](C#N)OC(=O)CSc1cc(Cl)ccc1Cl 789880302 AWAJUZLJQWZMIZ-ZETCQYMHSA-N 290.171 3.541 30 20 CHED COc1ncc(C(=O)/C=C/c2cccc(C#N)c2)cc1Cl 789157465 MJPNJEVMWSWOAP-AATRIKPKSA-N 298.729 3.511 30 20 CHED Fc1ccccc1NN=Cc1cc2ccccc2[nH]1 788422174 OBRMONUGCSAOCM-UHFFFAOYSA-N 253.280 3.753 30 20 CHED N#CC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 892137985 VPMUHZNGKOMQQD-UHFFFAOYSA-N 298.777 3.537 30 20 CHED COC[C@H](Sc1cc(C)ncc1C#N)c1ccccc1 897002468 BJUMTQLDQPDOJO-INIZCTEOSA-N 284.384 3.742 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2ncccc2[N+](=O)[O-])C1 783854456 SCKACBKHDVSBQI-NWDGAFQWSA-N 276.340 3.604 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N2CCC[C@](C)(C#N)C2)cc1C 784746602 MDBQNZGMELWWEE-LIXSYLKWSA-N 296.414 3.777 30 20 CHED Clc1ccc(OCCON=C2CCC2)c(Cl)c1 782327161 FOHDAQNEZZVSHH-UHFFFAOYSA-N 274.147 3.929 30 20 CHED C#CCC1(C(=O)N(C)Cc2ccc(C)cc2)CCCCC1 788131415 SQLUKADWBPGWBQ-UHFFFAOYSA-N 283.415 3.927 30 20 CHED C=C(Br)CNC[C@H]1CCC[C@H](CC)C1 394609785 IQPSZUIQEAKPKD-RYUDHWBXSA-N 260.219 3.701 30 20 CHED CC(C)c1ccc(C[S@@](=O)Cc2cc(C#N)ccn2)cc1 899276765 CHPJIVZQCREZCB-OAQYLSRUSA-N 298.411 3.526 30 20 CHED N#Cc1cccc(CN2CC3(CCC3)c3c(F)cccc32)n1 1205334538 KAVDWISKWOLWPY-UHFFFAOYSA-N 293.345 3.534 30 20 CHED CCCCCCCC(=O)NCC(C)(C)CN1CCCC1 791899881 SUUYBKYBJACSRV-UHFFFAOYSA-N 282.472 3.585 30 20 CHED COc1cccc(C(C)=NOCc2ccccc2OC)c1 799117948 PQYSHUNRXKRDFA-UHFFFAOYSA-N 285.343 3.645 30 20 CHED Oc1cccc(/C=N\C[C@@H]2CCCCC(F)(F)C2)c1O 793656438 SVQXNOXUOWYMJK-IPHDDYSGSA-N 283.318 3.732 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H](F)c1ccccc1 797173592 XSDOHJUEGJXAPK-MRXNPFEDSA-N 297.333 3.639 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)c1ccccc1 189919329 RNFSKLDIESLLHN-CQSZACIVSA-N 272.392 3.721 30 20 CHED C(=NNc1cncnc1)c1cccc(Oc2ccccc2)c1 794976970 URLZXOGYZAEWRS-UHFFFAOYSA-N 290.326 3.715 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3sccc32)c(F)c1 61362562 NPOSFUHQDPNUMO-OAHLLOKOSA-N 286.375 3.926 30 20 CHED C[C@]1(C=NNc2cc(F)c(F)c(F)c2)CCCS1 793026841 NJNBMUONBUFOQP-GFCCVEGCSA-N 274.311 3.787 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccccc2C#N)cc1F 799497860 BLVIHGQXLMTXGR-NTMALXAHSA-N 294.329 3.659 30 20 CHED C#CCCOc1ccc(C=NNc2cccc(Cl)n2)cc1 793181279 OKDNIPUJSHVYKC-UHFFFAOYSA-N 299.761 3.583 30 20 CHED COc1ccc(/C=C\C(=O)c2ccnc(F)c2)c(Cl)c1 794718670 DESUMDIVWJBYNP-HYXAFXHYSA-N 291.709 3.779 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@H](F)Cc1ccccc1 799443834 AWLUSPMKYXANTR-INIZCTEOSA-N 297.329 3.607 30 20 CHED N#CC[C@@H](CC(=O)Oc1ccccc1)c1ccccc1 792866232 ZTBWZTXUBOARGN-HNNXBMFYSA-N 265.312 3.680 30 20 CHED COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)ccc1C#N 799497164 JESWEXSANQWYIL-PXNMLYILSA-N 289.334 3.698 30 20 CHED CCN(Cc1ccc(C#N)s1)c1ccc(F)c(F)c1 1307573445 LLGVMCMOCRECMY-UHFFFAOYSA-N 278.327 3.924 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CNCc1cccc(OCC#N)c1 1321387397 SGTZFARNNYEGBW-CRAIPNDOSA-N 284.403 3.671 30 20 CHED C=CCCCCCCCNC(=O)c1[nH]c(C)cc1C 1324210533 KDCZTWNMZCOLKA-UHFFFAOYSA-N 262.397 3.888 30 20 CHED CCn1c(C(=O)OCC2(CC#N)CC2)cc2ccccc21 1327911136 LAJUYTBQCRLWIJ-UHFFFAOYSA-N 282.343 3.512 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc2ccccc2n1CCC 1320633948 QZXJGDSUVFCPCF-UHFFFAOYSA-N 294.398 3.537 30 20 CHED C=CCn1c([C@@H]2CC=CCC2)nnc1N1C[C@H]2CCC[C@H]2C1 1339836527 FTPPOPHTZFNLIE-OAGGEKHMSA-N 298.434 3.524 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccnn1Cc1ccsc1 1335223653 KETXBJULYNQQFH-LBPRGKRZSA-N 289.404 3.534 30 20 CHED C=CCC1(C(=O)Nc2cc(-c3ccco3)nn2C)CCCC1 1330598225 JZUCCBKUTIFOMI-UHFFFAOYSA-N 299.374 3.755 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1cc(F)ccc1F 1337558604 TVMKJPUJAJFFAP-OAHLLOKOSA-N 293.357 3.855 30 20 CHED Cc1ccc([C@H](C)NC(=O)[C@H](CC#N)c2ccccc2)cc1 1264438620 VMMJZSMRTONHER-MAUKXSAKSA-N 292.382 3.870 30 20 CHED CC(C)(C)C1=CCN(C(=O)c2ccc(C#N)cc2F)CC1 1262616066 FAHJBDBQPOHNAM-UHFFFAOYSA-N 286.350 3.516 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)c1ccc(C(C)C)cc1 1346096778 URHFPWNSAOMISJ-HNNXBMFYSA-N 281.359 3.516 30 20 CHED CCCC[C@H](C)N(C)C(=O)[C@@H](CC#N)c1ccccc1 1274864015 YQMJFHQTEUHCFX-HOCLYGCPSA-N 272.392 3.721 30 20 CHED C=CCC1(C(=O)NCCCC(F)F)CCCCC1 1355386732 VWFQADKQBIBEOM-UHFFFAOYSA-N 259.340 3.675 30 20 CHED Cn1c(C#N)ccc1C(=O)OC1CCC(C(C)(C)C)CC1 1351926714 XJYNFCOPIRMVCP-UHFFFAOYSA-N 288.391 3.658 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1cccc(C)c1F 1438676386 OCZBGNUQOYWLPA-UHFFFAOYSA-N 282.318 3.673 30 20 CHED COc1ccccc1CCNc1ccc(Cl)cc1C#N 221701598 IKGQIOYQZCGSQT-UHFFFAOYSA-N 286.762 3.875 30 20 CHED C[C@H](OC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 1518198844 AFJBJNYNUHLPCH-RASHJEQFSA-N 283.371 3.989 30 20 CHED C[C@@H]1CC[C@H](OC(=O)[C@@]2(C#N)CC23CCCC3)[C@H](C)C1 1522700929 OCSJFZKXXUNDFG-WVZRYYJFSA-N 275.392 3.828 30 20 CHED CCN1CCN(Cc2ccc(C#N)cc2C)c2ccccc21 1616026103 FTTCFXGHDNLGPI-UHFFFAOYSA-N 291.398 3.713 30 20 CHED Cc1cc(=N[C@H](C)Cc2ccc(C(C)C)cc2)c(C#N)c[nH]1 1472732561 PKQXVCVOOVFKNY-OAHLLOKOSA-N 293.414 3.850 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@@H](Cc2ccccc2)C1 1615640218 TWNSOSCRABPSPC-HKUYNNGSSA-N 276.383 3.816 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc2occc2c1 1635721391 PVWSEXLMQQTYIF-UHFFFAOYSA-N 280.258 3.696 30 20 CHED N#Cc1c[nH]ccc1=N[C@@H](C1CCCCC1)C1CCC1 1640075520 OAQDNKJRODIMLN-KRWDZBQOSA-N 269.392 3.536 30 20 CHED CC(C)(C)C[C@H]1CCN(CCc2ccc(C#N)cc2)C1 1653915999 XLBHLCGMPGQSOA-QGZVFWFLSA-N 270.420 3.859 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(F)cc2C#N)cc1 1659662844 ZPSBRIRMNJTLKH-UHFFFAOYSA-N 283.306 3.674 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)c(C)c1)CC2 1659385593 QSZGRDOCSBRHSZ-UHFFFAOYSA-N 262.356 3.738 30 20 CHED CS[C@H]1CCC[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 231777929 NOOVZXWWDDIVBH-NEPJUHHUSA-N 291.376 3.553 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1C(=O)O 1776127258 NAQLABPSTHIKIJ-SOFGYWHQSA-N 296.322 3.598 30 20 CHED C=CCCC(=NNc1ccc(F)c(C(=O)O)c1)C1CC1 1776062193 IWRNVFQYJZXXTF-UHFFFAOYSA-N 276.311 3.668 30 20 CHED C=C[C@H]1CCCN([C@H](C(=O)O)c2ccc(F)cc2Cl)C1 1776150356 KLDDNQJMHXTKQX-HZMBPMFUSA-N 297.757 3.503 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C2CCCC2)[nH]n1 150736411 DZGCLVZQMBSBQQ-UHFFFAOYSA-N 273.380 3.774 30 20 CHED C#CCCCN[C@@H](C)c1cccc(Br)c1 160801136 RZZISEAVBGEZIV-NSHDSACASA-N 266.182 3.513 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2cccc(F)c2)cc1 155583364 HRCJJIOXJLVAHA-GFCCVEGCSA-N 270.307 3.729 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(Cl)n1 156844954 UMBSBGYJTUVIIT-UHFFFAOYSA-N 266.772 3.553 30 20 CHED CC(C)CN(CCC#N)Cc1ccc2occc2c1 809538659 PZLKVJVVLRRPNX-UHFFFAOYSA-N 256.349 3.804 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1CCCNCC1 846668730 LDXKXSOQDMJGAE-INIZCTEOSA-N 282.472 3.633 30 20 CHED C[C@H]1SCC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F 235611077 WPCNURDDWJJNSJ-KCJUWKMLSA-N 286.322 3.883 30 20 CHED N#Cc1ccc(CNCCc2ccc(Cl)cc2Cl)o1 135121753 LQJHFBWKRWWGIF-UHFFFAOYSA-N 295.169 3.790 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)[C@](C)(C#N)CC)c1 136237524 AUEGDCAVYUCCRX-LRDDRELGSA-N 274.364 3.742 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 48474408 OPOSCORVWXKHOY-YGRLFVJLSA-N 291.782 3.912 30 20 CHED N#Cc1ccc(NCc2ccc(F)c(F)c2)c(F)c1 49575529 DNDPXECINYVYGR-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1cccnc1Nc1ccc2c(c1)CCCCC2 404722804 WALIEBPNWWYFQH-UHFFFAOYSA-N 263.344 3.966 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1ccnc(C#N)c1 612463194 BTXZNSVWHQMSGD-COXVUDFISA-N 271.408 3.504 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cccc(Cl)c1Cl 320156000 ADJREQRYKWTCAY-WDEREUQCSA-N 288.218 3.971 30 20 CHED N#Cc1ccc(CN[C@@H](C2CCCC2)C2CC2)s1 421848870 AQQDREAOCKDGMV-HNNXBMFYSA-N 260.406 3.678 30 20 CHED N#CC1CCN(c2ccc3ccc(Cl)cc3n2)CC1 334859099 JUCLJJSKDKZIDZ-UHFFFAOYSA-N 271.751 3.628 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C(C)=C1CCC1 824909894 QXVSNKXMSXXFRH-UHFFFAOYSA-N 255.361 3.702 30 20 CHED C[C@H](NCCCCC#N)c1ccc2ccccc2n1 178649153 QKWUXARZDVKHNO-ZDUSSCGKSA-N 253.349 3.579 30 20 CHED N#Cc1cccc(C(=O)NCc2csc3ccccc23)c1 57836436 MMZJFBTXOBOFSE-UHFFFAOYSA-N 292.363 3.703 30 20 CHED C=CCN1CC=C(c2c(C)[nH]c3ccccc23)CC1 177094411 WXSJVNRPJKYWPN-UHFFFAOYSA-N 252.361 3.751 30 20 CHED CC(C)(C)OCC(=O)Nc1cc(C(C)(C)C)sc1C#N 179831477 YJNSDARCOFBUDI-UHFFFAOYSA-N 294.420 3.671 30 20 CHED C=CCCC(=O)N(C)[C@H](C)c1cccc(Cl)c1 102226512 BPLIPZNDUBLOKW-LLVKDONJSA-N 251.757 3.826 30 20 CHED N#Cc1ccc(NCCCOCC2CC2)cc1C(F)(F)F 111107369 XSMHNIABDIUULK-UHFFFAOYSA-N 298.308 3.806 30 20 CHED CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(C#N)cc1 69247765 WWJZIZDQTULQAN-UHFFFAOYSA-N 299.761 3.530 30 20 CHED CN(C(=O)CCc1ccccc1)c1cc(Cl)ccc1C#N 176424426 SBAMUQJOSBLEOW-UHFFFAOYSA-N 298.773 3.807 30 20 CHED N#Cc1ccc(N(CC2CC2)C2CCCCC2)nc1 68910187 ZDPNGHCVSVBLCU-UHFFFAOYSA-N 255.365 3.502 30 20 CHED C=CCCCC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 177492100 MVEKDEIMEMWDOH-JLHYYAGUSA-N 287.359 3.558 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)OCc2ccccc2C#N)C1(C)C 111476322 TXQQAFNZWQFPAS-HZPDHXFCSA-N 283.371 3.840 30 20 CHED CCC[C@H](NCc1ccc(C#N)cc1F)c1ccccn1 178788809 YUFYVPFXHFROPE-INIZCTEOSA-N 283.350 3.723 30 20 CHED Cc1cccc(CCNC(=O)Nc2cccc(C#N)c2C)c1 178553227 FCPHUVAEVLOQAH-UHFFFAOYSA-N 293.370 3.539 30 20 CHED Cc1occc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 66396960 XPOJWLNXYMJMLB-INIZCTEOSA-N 296.370 3.880 30 20 CHED CC(C)SCCOc1ccc(C#N)cc1Cl 304289948 NNNJVPWRJQKHPL-UHFFFAOYSA-N 255.770 3.732 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C[C@H]1C=CCC1 173040533 VSBNYYHWAMPADB-ZDUSSCGKSA-N 283.375 3.675 30 20 CHED COc1ccc(CSc2ccc(C#N)cn2)cc1Cl 301862785 GIFOOJUJVSOGEN-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=C(C)CN(CC)C(=O)CCc1cc(C)cc(C)c1 119179130 JQLQADRQSQOECK-UHFFFAOYSA-N 259.393 3.661 30 20 CHED N#Cc1c(F)cccc1NCc1ccc(N2CC=CC2)cc1 301360066 OLKQWULTPHDJGB-UHFFFAOYSA-N 293.345 3.686 30 20 CHED N#Cc1cccc(C#N)c1NCc1nccc2ccccc12 302831475 LFYPXPPIFILMKH-UHFFFAOYSA-N 284.322 3.590 30 20 CHED CC(C)CC/C(N)=N/OCc1coc(-c2cccs2)n1 66374426 UJMGTTHPSGECFL-UHFFFAOYSA-N 293.392 3.628 30 20 CHED N#Cc1nc(Oc2cc(F)ccc2F)ccc1Cl 301518161 KJIVUJOBMONADQ-UHFFFAOYSA-N 266.634 3.677 30 20 CHED Cc1nc(CCNc2ccc(C#N)c(Cl)c2)sc1C 301675827 QIRFKQRLFJIMHV-UHFFFAOYSA-N 291.807 3.940 30 20 CHED CC(C)c1ccc(C[C@H](C)Nc2nccnc2C#N)cc1 301866557 BQSQOXYOCANILI-ZDUSSCGKSA-N 280.375 3.515 30 20 CHED CC(C)CSCC(=O)Nc1ccc(C#N)c(Cl)c1 69509537 SHCDDZVLOWAUBO-UHFFFAOYSA-N 282.796 3.539 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cn(CC(C)C)c2ccccc12 127132330 KEBUWFZAOOBOFP-GOSISDBHSA-N 297.402 3.719 30 20 CHED C[C@@H](NCc1cc(C#N)cs1)c1cccc(F)c1F 121923832 VYTUKVQNMSQNCM-SECBINFHSA-N 278.327 3.749 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(C#N)cn2)C1 301338353 DDWVUSDQUFKALT-HOCLYGCPSA-N 277.371 3.644 30 20 CHED C=C(C)CN(C)C(=O)c1cc(C(C)C)n(-c2ccccc2)n1 180401627 DDORKNUOQMUMTA-UHFFFAOYSA-N 297.402 3.644 30 20 CHED CC[C@@H](CC#N)NC(=O)Cc1ccc(-c2ccccc2)cc1 183830733 DNXBCCFNRYSVJS-SFHVURJKSA-N 292.382 3.705 30 20 CHED CCOCCC1(CN[C@H]2CCC[C@@H](C#N)C2)CCCC1 185855266 XLFLFUWPDCETRC-CVEARBPZSA-N 278.440 3.645 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccc(-c2ccccc2)s1 71641708 YHXFRVSWSTUWFD-ZDUSSCGKSA-N 284.384 3.693 30 20 CHED CCCCCCCCCCC(=O)NC(C)(C)C#N 124419356 BBZALXSAPAMFDU-UHFFFAOYSA-N 252.402 3.936 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)CCC 126359419 DKRYLIWTSMUYET-GFCCVEGCSA-N 251.395 3.699 30 20 CHED N#Cc1ccc(F)c(CNc2ccnc3cc(F)ccc23)c1 78474807 WVVQGLBLNKMPGS-UHFFFAOYSA-N 295.292 3.997 30 20 CHED C=CCOc1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1 125273045 SLTSDKWTSFJADY-KRWDZBQOSA-N 297.402 3.702 30 20 CHED C[C@H](CC(=O)Nc1ccc(OCC#N)cc1)CC(C)(C)C 36681569 QLSUHWATPFZANU-CYBMUJFWSA-N 288.391 3.990 30 20 CHED CC[C@H](CC#N)NC(=O)CCCCCc1cccs1 183861712 JPSQINSNPPYJAN-CYBMUJFWSA-N 278.421 3.659 30 20 CHED C#CCNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 71838489 BHBRMWOIINRCGP-UHFFFAOYSA-N 294.398 3.581 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(F)nc1)CCO2 186420503 HSXQPAHMGDLYQR-ZROIWOOFSA-N 297.329 3.886 30 20 CHED CCOc1ccccc1/C=C1/Cc2ccccc2C1=O 33472183 YFWPUXGGJLUEKD-QINSGFPZSA-N 264.324 3.908 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc(C2CC2)cc1 416063332 OBTQLSHCGPJXJV-ZIAGYGMSSA-N 287.403 3.722 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(-n2cccn2)cc1 72691217 ANIDMZDZTNREJL-UHFFFAOYSA-N 296.418 3.634 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 188480824 XDSHPPOWCAXLSO-CKEIUWERSA-N 259.393 3.897 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 210576205 RRDCVUAPQMPGDB-XQRVVYSFSA-N 295.169 3.931 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1scc(C)c1C#N 410861197 RRSNYLBMVUUYEC-NSHDSACASA-N 264.394 3.939 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)C(C)C 412840418 NHKIMHFSJISVND-GOEBONIOSA-N 259.393 3.582 30 20 CHED CC(C)(CC#N)CN[C@H]1CCCOc2ccc(F)cc21 414167359 PBVJWURTDCEZKK-AWEZNQCLSA-N 276.355 3.569 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@@H](C#N)CCC#N 73020244 UOTCZAQRBKAEGV-GFCCVEGCSA-N 293.823 3.833 30 20 CHED Cc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2C)c1 188893249 RHYDUYVVEPTFQK-CMDGGOBGSA-N 268.360 3.977 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CCO[C@H](CC)C2)C(C)C)c1 180165413 VZZDDSZICJRFTO-SJLPKXTDSA-N 299.414 3.615 30 20 CHED Cc1cccnc1[C@@H](N[C@H]1CCC[C@H](C#N)C1)C(C)C 185834517 MSSQUBSLDOCEBQ-JYJNAYRXSA-N 271.408 3.759 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)cc2)s1 135667755 QKLWLDHTLHDXIE-UHFFFAOYSA-N 262.765 3.563 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(c2ccc(F)cc2F)CC1 188553251 DQGNNJCSGWBFAT-INIZCTEOSA-N 293.357 3.715 30 20 CHED N#CCc1cccc(C(=O)NC2(c3ccccc3)CCC2)c1 49618119 NUFIDXNACHWHKO-UHFFFAOYSA-N 290.366 3.562 30 20 CHED N#Cc1ccc(N(Cc2ccc(Cl)cc2)C2CC2)nc1 48565665 SXFKMJZFTLLCMA-UHFFFAOYSA-N 283.762 3.776 30 20 CHED Cc1cnc(N/C(O)=N/[C@@H]2CCCCC23CCCC3)o1 329573783 AKXSOYPTOGKNEM-GFCCVEGCSA-N 277.368 3.812 30 20 CHED C#Cc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 86035724 QGAJOUDFGADGFX-UHFFFAOYSA-N 272.351 3.704 30 20 CHED Cc1nc2cc(/C(O)=N/C[C@H]3C[C@H]4CC[C@H]3C4)ccc2o1 329932659 BCFTWFJYYNXTLA-SGMGOOAPSA-N 284.359 3.877 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1ccc(CC#N)cc1 175131202 UBROBVYSTTURNA-ZDUSSCGKSA-N 273.380 3.653 30 20 CHED Cc1nc(C)c(C/N=C(/O)[C@@H]2C[C@@H]2c2sccc2C)o1 329161659 FSMHQZLWZXJUMY-NWDGAFQWSA-N 290.388 3.922 30 20 CHED COc1ccc(C)cc1/C=C1\Cc2ccccc2C1=O 47832981 YDDRELCBHDMZGB-RVDMUPIBSA-N 264.324 3.826 30 20 CHED C#CCCCN[C@H](CC)c1cccc(Br)c1 224310077 OSJKSWCVYLTHFV-CQSZACIVSA-N 280.209 3.903 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](C)CSC)c1ccccc1 133863288 IHLDHIVLRVXRMX-UKRRQHHQSA-N 277.433 3.809 30 20 CHED C=CCOc1ccc(CN[C@H]2CSC[C@H]2C)cc1Cl 512849479 FNOAWZUZIFIGHV-RISCZKNCSA-N 297.851 3.746 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc2c(c1)CCCN2 423443467 KQCRSRPCUCFVPS-UONOGXRCSA-N 258.409 3.735 30 20 CHED CCCCOCC/N=C/c1c(O)ccc2ccccc12 194853537 YLWHCBXTDWBSTL-QGOAFFKASA-N 271.360 3.781 30 20 CHED C#CCCCC(=O)Nc1cccc(C2SCCS2)c1 192055618 GZNCETRSZZNBMM-UHFFFAOYSA-N 291.441 3.907 30 20 CHED Cc1ccc(SCCC(=O)N[C@H](C#N)C(C)(C)C)cc1 85439357 VFWITYDQYHEYSY-CQSZACIVSA-N 290.432 3.532 30 20 CHED CN(CCCCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 429723713 KTAGREWQSUONHH-IAGOWNOFSA-N 256.393 3.633 30 20 CHED COc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1C 193688665 ZQNSVGXEQZUOFX-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C=CCOc1ccc(CN2CCCC[C@@H]2C=C)cc1OC 426580409 QQDAAQPODIHUNX-INIZCTEOSA-N 287.403 3.801 30 20 CHED C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@@H](C)CC 424252000 RAWXCPAZKAHGAV-STQMWFEESA-N 294.468 3.657 30 20 CHED N#CC1(/C(O)=N/C[C@H]2CCC3(CCCCC3)O2)CCCC1 330089177 VNGQWOPBXQNPCQ-CQSZACIVSA-N 290.407 3.909 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](C)CC 512506725 PDTPVKPSIIHYIE-HNNXBMFYSA-N 263.429 3.888 30 20 CHED C=CCC1(C(=O)Nc2cccc3[nH]ccc23)CCC1 190988431 ZKWHGMKENWSIQA-UHFFFAOYSA-N 254.333 3.853 30 20 CHED COCC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(C)(C)C 511002288 VDYBLMFAAICBTH-LRDDRELGSA-N 292.398 3.799 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@H]1C[C@H]2CC[C@H]1O2 330099749 DKBZUSPCTIIYNP-HZSPNIEDSA-N 297.358 3.541 30 20 CHED Cc1cc(/C(O)=N/[C@@]2(C)CC=CCC2)cc([N+](=O)[O-])c1 331353444 OZZSEVKWUQYJAU-HNNXBMFYSA-N 274.320 3.707 30 20 CHED CN(Cc1ccc(Br)s1)[C@H]1CC[C@@H](C#N)C1 335903361 MWGMZTSYPSRMDX-ZJUUUORDSA-N 299.237 3.635 30 20 CHED N#Cc1c(F)cccc1SCCOCC1CCC1 517395355 HSAOQSBLWYCTDD-UHFFFAOYSA-N 265.353 3.606 30 20 CHED C=C(CNC(=O)[C@@H]1CCCC[C@@H]1C)c1ccccc1 424844819 HPBYPQMOOJIUJN-XJKSGUPXSA-N 257.377 3.642 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(O)cc1Cl 616939749 LUQKXBUGKFLFHQ-UHFFFAOYSA-N 253.729 3.586 30 20 CHED N#CCC1CCN(C(=O)Nc2cccc(Cl)c2F)CC1 336617637 OJPYMBJHBVICHV-UHFFFAOYSA-N 295.745 3.637 30 20 CHED CC(C)(C#N)Cc1nc([C@H]2CCCC(C)(C)C2)no1 336002047 QYUHNXQDXZASFN-NSHDSACASA-N 261.369 3.846 30 20 CHED C=C(C)COCCN[C@@H](CC)c1ccc(OC(F)F)cc1 90451133 WIWRJAMQYAEOKV-HNNXBMFYSA-N 299.361 3.921 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC2(CCC2)C[C@H]1C 336295098 XRVAMWIRYDIDRM-CYBMUJFWSA-N 283.375 3.663 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccccc1C(F)(F)F 432485632 MUIBOXGXGBVQJQ-UHFFFAOYSA-N 299.296 3.719 30 20 CHED C=CCCCN1CCC[C@@H]1C[C@H](O)c1cccs1 267442008 IMNAVUVAVRZLBA-KGLIPLIRSA-N 265.422 3.602 30 20 CHED CSc1cc(C)ccc1CNc1cnccc1C#N 91738773 NUXPJWVRJAUVJN-UHFFFAOYSA-N 269.373 3.596 30 20 CHED CC(C)C1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 93670043 HUEVOMSHWWTNKF-OAHLLOKOSA-N 286.419 3.845 30 20 CHED C=CCC[C@@H](N[C@@H]1CCOc2ccc(OC)cc21)C1CC1 344122196 XZPYHMVJPQHCSU-IAGOWNOFSA-N 287.403 3.853 30 20 CHED Cc1ccnc(N2CC3(CCC3)[C@H]2c2ccccc2)c1C#N 432133124 KELJXFVSNSPDMQ-QGZVFWFLSA-N 289.382 3.993 30 20 CHED C[C@H](NC(=O)NCC1(CC#N)CC1)[C@H](C)C1CCCCC1 430844243 JRHINUAUQXEMTO-KBPBESRZSA-N 291.439 3.584 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 341951614 AEPNKSIFFCCCFO-UHFFFAOYSA-N 286.379 3.657 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)Sc1ccccc1 432332863 CLCIKVBZHCTXAF-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED C=C1CCN(C(=O)CCCCc2ccc(C)cc2)CC1 521725151 GEUHYEVZTHTYJS-UHFFFAOYSA-N 271.404 3.886 30 20 CHED C=CC[C@H](C(=O)NCCC1(C)CC1)c1ccccc1 348697273 IIDZSRWIAPMPAY-HNNXBMFYSA-N 257.377 3.653 30 20 CHED Cc1ccccc1[C@H]1CCN(c2snc(C)c2C#N)C1 342098054 UQJPRBJJMMPBQB-ZDUSSCGKSA-N 283.400 3.626 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ncc(C(C)(C)C)s1 528693377 ZJGPKLOLWAGZCA-UHFFFAOYSA-N 279.409 3.709 30 20 CHED C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(C#N)cc1 246386569 HJUYZLBLAGQPDU-VIBAHUMZSA-N 296.414 3.557 30 20 CHED C=C(CNC(=O)CSc1ccccc1)c1ccccc1 345832339 GCQWYRBUPXZAJF-UHFFFAOYSA-N 283.396 3.608 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1ccccc1CC#N 600985837 VGCINHBLDPZWFG-CQSZACIVSA-N 272.392 3.697 30 20 CHED N#CCC[C@H](Nc1ncc(Cl)cn1)c1ccccc1 439100717 RNSSZQRZIWSWGV-ZDUSSCGKSA-N 272.739 3.587 30 20 CHED N#CCCCCN[C@@H]1CCCc2c1[nH]c1ccccc21 343504064 BOHSVCSPUBKWCD-MRXNPFEDSA-N 267.376 3.829 30 20 CHED Cc1c(C(=O)Nc2nccs2)sc2ccc(C#N)cc12 431673943 QECHYKCXXGFURE-UHFFFAOYSA-N 299.380 3.790 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)NCC1(CC#N)CC1 430682933 YLZZDHAPEKDJOC-AWEZNQCLSA-N 291.439 3.728 30 20 CHED N#Cc1cccc(CNC[C@H]2SCCc3ccccc32)c1 344761665 PVDHSQXRNVOZPR-GOSISDBHSA-N 294.423 3.678 30 20 CHED CCN(CC1(C#N)CC1)c1cccc(Br)c1 343308721 KQIQNLQQVXMLQA-UHFFFAOYSA-N 279.181 3.579 30 20 CHED Cc1cc(F)c(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 529253132 JRHHVIQNTOFKBR-VHSXEESVSA-N 295.745 3.601 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1ccncc1 255319900 OEDKWOIRKNHWTM-FPLPWBNLSA-N 267.328 3.765 30 20 CHED Cc1cc(F)ccc1CN(C)c1nccc(C#N)c1Cl 343234776 QHFQGGLZONQBAO-UHFFFAOYSA-N 289.741 3.691 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc2[nH]ccc2c1 349121757 XAOGQKUPPCWLDN-UHFFFAOYSA-N 284.363 3.619 30 20 CHED Cc1ccc(Cl)cc1N=Cc1ccc(O)c(O)c1O 255334862 HTQTUERJNAWMAG-UHFFFAOYSA-N 277.707 3.516 30 20 CHED CC[C@H](CCc1ccccc1)NCc1ccc(C#N)o1 527764814 YWGYGSRFDOORMQ-OAHLLOKOSA-N 268.360 3.652 30 20 CHED CCCC[C@H](CC)CC(=O)N(CC#N)C1CCCC1 609976816 LQUCDDIMIPRZNJ-AWEZNQCLSA-N 264.413 3.888 30 20 CHED COc1ccc(O)c(C=Nc2cccc3cccnc23)c1 255770026 JKHRYABHPYMGCY-UHFFFAOYSA-N 278.311 3.700 30 20 CHED CC(C)(C#N)CCCN1CC(C)(C)[C@H]1c1ccco1 602927468 SIEWFQQKEQJYBL-CQSZACIVSA-N 260.381 3.992 30 20 CHED C[C@@H](CCC#N)CN1CC[C@H](C)N(Cc2ccccc2)CC1 602482655 PFGMXPQNLRAHLG-ROUUACIJSA-N 299.462 3.523 30 20 CHED C[C@@H](CCc1c[nH]c2ccccc12)N[C@@H]1CC[C@H](C#N)C1 601283053 MOVYRTQAQSAFMP-OFQRWUPVSA-N 281.403 3.771 30 20 CHED C[C@@]1(C/N=C\c2cc(Cl)ccc2O)CCCS1 255898345 ZVHROKDMIKCPFN-PBTLCFMXSA-N 269.797 3.750 30 20 CHED Cc1ccc([C@H](C)CN2CCC(C)(C#N)CC2)cc1 600147087 KYQMLHVHCNNSBF-OAHLLOKOSA-N 256.393 3.724 30 20 CHED Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c(C)n1 356362659 STZHBSSXEHRENO-INIZCTEOSA-N 293.370 3.725 30 20 CHED C=CCCC1(C(=O)Nc2ccc(NC(=O)CC)cc2)CC1 354581658 FMXZKIXJKHVJLK-UHFFFAOYSA-N 286.375 3.720 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2ccc(C)cc2[nH]1 537231524 QGOOLKLPJFJARN-ZDUSSCGKSA-N 270.376 3.951 30 20 CHED C=CCCCCCS(=O)(=O)c1ccccc1Cl 447291084 BUAIJSWNKGLXHV-UHFFFAOYSA-N 272.797 3.860 30 20 CHED N#Cc1ccn(Cc2cc(Br)ccc2Cl)c1 535883127 NISJEBSVZUVDER-UHFFFAOYSA-N 295.567 3.824 30 20 CHED CC(C)[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cn1 353507595 PIOHDPKTIVZTST-QGZVFWFLSA-N 283.350 3.579 30 20 CHED Cc1cc(CNCCCOc2ccc(F)cc2)ccc1C#N 443962075 JCPIJWYFBJSAGK-UHFFFAOYSA-N 298.361 3.565 30 20 CHED CCOc1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1 602486381 ZJXVNVKEYQHFIL-CQSZACIVSA-N 288.391 3.596 30 20 CHED C=CCC[C@H](NC(=O)C[C@H]1C[C@H]1C)c1ccccc1 355186856 WZTJELNKRMCPFZ-BMFZPTHFSA-N 257.377 3.856 30 20 CHED C=CCCO[C@H](C)c1nc([C@H](C)C(C)(C)C)no1 356885855 XWIQQCSYBKKVGO-WDEREUQCSA-N 252.358 3.873 30 20 CHED C=CCC[C@@H](O)CNC(C)(c1ccccc1)c1ccccc1 537103852 UJHUSTIHESJFPS-LJQANCHMSA-N 295.426 3.867 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cc(F)ccc2OCC2CC2)C1 442863182 QKEJTUPEYIRKHE-OCCSQVGLSA-N 274.339 3.719 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)co1 444008848 ABBSIXKYDQGJTN-INIZCTEOSA-N 296.370 3.880 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)CC2 613275007 SMLHSFWQNVEBOZ-MRXNPFEDSA-N 293.326 3.874 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1nccc2ccccc12 537233044 YPUCCGJJGDRLAT-CYBMUJFWSA-N 268.360 3.709 30 20 CHED CC(C)OCCCSc1ccc(C#N)cc1F 358058178 CMRRQJLXDXLDBB-UHFFFAOYSA-N 253.342 3.605 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H]1C(C)C)c1ccccc1 539450287 BFBNUBZGUXXVTP-GDBMZVCRSA-N 257.377 3.603 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)C1CCCC1 618805559 IBYRGDVONIYIGZ-PXAZEXFGSA-N 254.377 3.714 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 537449817 KZLYFKQSYWAYOK-OCCSQVGLSA-N 289.423 3.637 30 20 CHED C[C@@H](N[C@H]1CCCc2cccnc21)c1cccc(C#N)c1 619611240 AELVWRIBBVGSCP-DYVFJYSZSA-N 277.371 3.681 30 20 CHED C=CCN(C(=O)c1ccc(C)c(C)c1Cl)[C@@H](C)COC 617580925 HWEWIBRNKGITGK-LBPRGKRZSA-N 295.810 3.620 30 20 CHED N#CCCN1CCC[C@@H]1c1ccccc1C(F)(F)F 362959114 YENOKXFVQCVQFM-CYBMUJFWSA-N 268.282 3.756 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(F)cc1Cl 454189038 XDCUFECSOYBMSV-UHFFFAOYSA-N 256.708 3.567 30 20 CHED N#CC1(CN2CCCCC[C@H]2c2ccco2)CCC1 450424760 RIGRUBZCQBYAGW-AWEZNQCLSA-N 258.365 3.891 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc[nH]1 537271149 NNBXXMRIZAPYRK-HIFRSBDPSA-N 275.396 3.606 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCC[C@H]1Cc1ccccc1 459735673 UBARDVNWGFMOMS-DLBZAZTESA-N 270.420 3.927 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 454890215 MVYWTKCFHABCEP-SMDDNHRTSA-N 296.773 3.600 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(CC#N)cc2)CCCC1(C)C 278497535 WYEAUVFSZCPMJE-KRWDZBQOSA-N 296.414 3.960 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCCCC#N)cc1 543380162 RKNJWIBALXREKZ-IAGOWNOFSA-N 299.418 3.576 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCC[C@@](C)(C#N)C1 612488727 XLVTUBVGMMQWKO-CJNGLKHVSA-N 264.413 3.601 30 20 CHED CC(C)CC1(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCC1 618785110 YINRXQJNCLZVRJ-QGZVFWFLSA-N 296.414 3.878 30 20 CHED Cc1ccccc1[C@H](Nc1nccc(C#N)n1)C(C)(C)C 450374813 GDSWCNSXPBVSTR-HNNXBMFYSA-N 280.375 3.856 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(CC#N)cc1 452420227 MCGZUXSYHPAFOO-NVXWUHKLSA-N 284.403 3.699 30 20 CHED C=CCCOCC(=O)N1CCC[C@H]1c1c(C)cccc1C 617176928 IXIYLPGWYLEILO-INIZCTEOSA-N 287.403 3.560 30 20 CHED C=C(C)CCNC(=O)N1CC=C(c2ccc(F)cc2)CC1 455316170 VGIXZWLTXZEUTE-UHFFFAOYSA-N 288.366 3.591 30 20 CHED CCC(C)(C)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 362551206 JBBMXQVXFJTHNO-LBPRGKRZSA-N 258.365 3.562 30 20 CHED Cc1csc(-c2cccc(NC(=O)CCCC#N)c2)n1 360144691 WVSVLNISOMOJTD-UHFFFAOYSA-N 285.372 3.751 30 20 CHED C=CCC1(C(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)CCCC1 452148210 KOXUYVKOGCEKJX-CAOSSQGBSA-N 273.420 3.627 30 20 CHED C=CC(C)(C)c1nc(Cc2cccc(Cl)c2)no1 453021685 FYDSASPALGHWIV-UHFFFAOYSA-N 262.740 3.777 30 20 CHED C=C(CC)CSCC(=O)Nc1cccc(C)c1C 540194043 WSSXDIMGQSGJPP-UHFFFAOYSA-N 263.406 3.941 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(C[C@H](C#N)CCC#N)C2)cc1 278367478 BSCNCAIZCTZYFO-SOLBZPMBSA-N 281.403 3.616 30 20 CHED C=C1CCN(C(=O)c2ccc(C)c(Cl)c2F)CC1 279199924 JYQYASXKUOEYRH-UHFFFAOYSA-N 267.731 3.580 30 20 CHED C[C@H](CC(=O)N1CCC(CC#N)CC1)C1CCCCC1 543835229 POFMPGQZVAJQOZ-CQSZACIVSA-N 276.424 3.745 30 20 CHED N#Cc1ccc(OCc2nc(CC3CCCCC3)no2)cc1 545669476 SLBYOZCLIKMLDU-UHFFFAOYSA-N 297.358 3.643 30 20 CHED CCC[C@H](C)N(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 460003222 GGSIXIKGOKEZIK-AWEZNQCLSA-N 286.419 3.774 30 20 CHED CSc1c(F)cc(NC(=O)C2(C#N)CC(C)C2)cc1F 542366778 DOIYQOXHQNMFDV-UHFFFAOYSA-N 296.342 3.565 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1cccc(C#N)c1F 540350542 RNKNJCQLTBOJKE-LBPRGKRZSA-N 298.336 3.956 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1nc(C(C)C)c(C)s1 281821110 VRADWBUIBHHYTN-LBPRGKRZSA-N 280.437 3.588 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@@H]2CCCC[C@H]2C)no1 289261031 YKEHSMUKTYARRQ-BXKDBHETSA-N 271.320 3.803 30 20 CHED N#Cc1cccc(CCNCc2cc3ccccc3o2)c1 466424364 HRAKZSPNIYTNAN-UHFFFAOYSA-N 276.339 3.637 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 280757002 UGUCTAJFYUOELK-ZOBUZTSGSA-N 257.377 3.651 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1ccc(C(C)C)cc1 554933112 BUVKLOPSYUOLMZ-UHFFFAOYSA-N 279.343 3.637 30 20 CHED COc1ccc(C#N)cc1CN1CC(C)(C)[C@H]2CCC[C@H]21 378830469 JRPXESFMILUKRB-JKSUJKDBSA-N 284.403 3.577 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C)c(OC)c1C 466367788 ZNDDCIBYHCFOLL-CYBMUJFWSA-N 276.380 3.788 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1OCC1CC1 559950529 SOCHSTLBJGTEAZ-UHFFFAOYSA-N 287.403 3.694 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCO[C@@H]1c1cccnc1 284579373 JFAXPJKHNVIYNH-YESZJQIVSA-N 274.408 3.636 30 20 CHED C=CCCN[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC 556881346 OJTGQJDHLUXBPY-GVDBMIGSSA-N 259.393 3.503 30 20 CHED CC(C)(C)CCCCC(=O)Nc1cc(CC#N)ccn1 557583225 JRDHJLRUEJQHLX-UHFFFAOYSA-N 273.380 3.693 30 20 CHED CC[C@](C)(C#N)C(=O)NCCCCCc1ccc(F)cc1 286755146 KEWKKPXJRWDCQI-QGZVFWFLSA-N 290.382 3.595 30 20 CHED C=CCC[C@@H](NC(=O)N1O[C@H]2C=C[C@H]1CC2)c1ccccc1 636955850 ZSQFPYXCJGRGOD-YESZJQIVSA-N 298.386 3.738 30 20 CHED C=CCC(C)(C)CNCc1ccc(OC)c(OC)c1C 555592421 REPMWCQXYKNRJQ-UHFFFAOYSA-N 277.408 3.704 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCNc2ccccc21 280940007 WAKDFONINMFTEI-OLMNPRSZSA-N 286.419 3.504 30 20 CHED CN(C(=O)CCSCCC(C)(C)C#N)c1ccccc1 289412954 OTGIFDNHHCSGNQ-UHFFFAOYSA-N 290.432 3.713 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(Cl)cn1 281259023 QMLUBGKPDPSVEU-YGRLFVJLSA-N 266.772 3.515 30 20 CHED CC(C)(C#N)CC(=O)NCc1c(Cl)cccc1Cl 554321051 MOJVRRXOMNIZDW-UHFFFAOYSA-N 285.174 3.549 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1ccc2c(c1)CCC2 553668831 WBSJKSCAVSASPY-LBPRGKRZSA-N 282.412 3.959 30 20 CHED C#Cc1ccc(CNC[C@H](OC)c2cccc(Cl)c2)cc1 809623970 FXULTAYRERKWLB-SFHVURJKSA-N 299.801 3.799 30 20 CHED C=C(C)CS[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 477010485 JJOGVXFPFSVFLK-CHWSQXEVSA-N 275.417 3.662 30 20 CHED C=CCCCCCCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 805277973 ORZDVEJUKFLQEF-OWCLPIDISA-N 279.424 3.587 30 20 CHED Cc1cccc(C2=CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 293681955 BBMRVZQDXBYWSG-CRAIPNDOSA-N 266.388 3.776 30 20 CHED CN(Cc1ccccn1)Cc1ccccc1C(C)(C)C#N 295155335 MNCFQXQMFLQZOL-UHFFFAOYSA-N 279.387 3.515 30 20 CHED CCc1nnc([C@@H](C)Sc2ccc(C#N)c(C)c2)o1 563128445 PEIJSMRQCMZVTL-SNVBAGLBSA-N 273.361 3.665 30 20 CHED CC[C@@H](OC(=O)c1ccc(C)c(C#N)c1)c1ccc(F)cn1 803044421 GSGDUUVOEWHVKY-MRXNPFEDSA-N 298.317 3.709 30 20 CHED C=C(C)[C@@H](NCc1snnc1C)c1ccc(F)c(F)c1 569697932 YOSOHEHDTMCCKL-CQSZACIVSA-N 295.358 3.532 30 20 CHED C=CCC1(C(=O)NCC(C)(C)Oc2ccccc2)CCC1 479090580 OFPDNBXEAJEZCZ-UHFFFAOYSA-N 287.403 3.707 30 20 CHED Cc1cc(O)nc([C@@H](C)Sc2ccc(C#N)c(C)c2)n1 565774636 IRTXIGNYUQYJGX-LLVKDONJSA-N 285.372 3.524 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@H](OCC)C(=C)C)CCCC1(C)C 470302021 JWACOPRBZYBGNT-HOTGVXAUSA-N 293.451 3.951 30 20 CHED C=C(C)CCOC(=O)c1cc(C(F)(F)F)cnc1Cl 803506907 AYXHLPODIPHUTO-UHFFFAOYSA-N 293.672 3.877 30 20 CHED C=CC(C)(C)C(=O)N(C)[C@H](CC)c1cccc(OC)c1 297764066 MKRUHNKOMILSNW-OAHLLOKOSA-N 275.392 3.817 30 20 CHED CCC[C@@]1(C)CCCN(c2cc(C)nc(C#N)c2)C1 561263824 FOUPYUYJUUSUKB-INIZCTEOSA-N 257.381 3.668 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C)c(Cl)cc1C 474090969 VJJLDSYUQRHFEM-UHFFFAOYSA-N 263.768 3.771 30 20 CHED C#C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C)C(C)(C)C 808315854 NGTMZTYTMWTFIX-XIRDDKMYSA-N 298.430 3.622 30 20 CHED C#CCCCC(=O)Nc1onc(C2CCCCC2)c1C 297926836 YECZIUUXILDQKP-UHFFFAOYSA-N 274.364 3.773 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1ccc(C#N)cc1)C2=O 809156918 OZKCVQGMOCTGBM-JYRVWZFOSA-N 293.297 3.528 30 20 CHED CC(C)[C@@H](C#N)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 701309319 RVRJCPKESCOQJB-ITDFMYJTSA-N 297.185 3.671 30 20 CHED C=CCOCCCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C 470763820 GKCMSOZJUAXUHI-ZIAGYGMSSA-N 277.383 3.726 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C#N)C1 293347746 DLVVMSIZGHISFB-BXUZGUMPSA-N 282.309 3.829 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H]1C[C@@H](c2ccccc2)C1 809103930 IGFNLJBEOZKKKM-OKILXGFUSA-N 281.311 3.563 30 20 CHED C#Cc1cccc(NCc2ccc(-c3cnn(C)c3)s2)c1 800888213 SZHQHADUUIXUJQ-UHFFFAOYSA-N 293.395 3.742 30 20 CHED C=C1CCN(C(=O)Nc2nc3c(s2)CCCCC3)CC1 800904658 UIIBATUHEPTSEI-UHFFFAOYSA-N 291.420 3.596 30 20 CHED C#Cc1cc(F)c(NCc2ncc(Cl)s2)c(F)c1 802745053 OPXPMCRFMUABKY-UHFFFAOYSA-N 284.718 3.668 30 20 CHED C=CCn1c(CC2CC2)nnc1N1C[C@@H](C)c2ccccc21 568803871 ZDBSEHPLQCPRMI-CYBMUJFWSA-N 294.402 3.672 30 20 CHED CC#CCCNC(=O)N(C)C1CCC(C(C)(C)C)CC1 483419063 PEXHCOMQAQUCEZ-UHFFFAOYSA-N 278.440 3.646 30 20 CHED C=CCCCCCCCNC(=S)Nc1cnn(CC)c1 811702592 QHTCGZYXJSHZHL-UHFFFAOYSA-N 294.468 3.716 30 20 CHED FC(F)(F)COc1ccc(C=NOC/C=C\Cl)cc1 811668430 NXOZWNNKZKDZCB-QBBGTMDTSA-N 293.672 3.731 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cc(C#N)n(C)c1 561983156 SIZIIEFUSFPZAU-DZGCQCFKSA-N 273.424 3.543 30 20 CHED C=CCCCCOC(=O)CSCc1ccc(C#N)cc1 811013536 ZCOGSSWPPBPMIU-UHFFFAOYSA-N 289.400 3.691 30 20 CHED COCCCC(=NOCCC1CC1)c1ccc(F)cc1 814247036 OCEZTBHLCZOYNT-UHFFFAOYSA-N 279.355 3.773 30 20 CHED COc1ccncc1C/N=C/c1c(O)ccc2ccccc12 814183449 IVUZXWMEPZSAFU-UDWIEESQSA-N 292.338 3.568 30 20 CHED CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)CCCCCC#N 812423372 QZAZDSGBKXUKMZ-HUUCEWRRSA-N 280.412 3.677 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)C(C)(C)c1ccccc1 487040170 JJOUIYMPJOMOGG-LBPRGKRZSA-N 298.411 3.716 30 20 CHED Cl/C=C/CON=C(C[C@H]1CCOC1)c1ccccc1 811670264 NZSGXVYCEUNCQK-RYIWWMAESA-N 279.767 3.586 30 20 CHED CC1(Cc2noc(COc3ccccc3C#N)n2)CCCC1 579774829 ORGYMFAFDXESQU-UHFFFAOYSA-N 297.358 3.643 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OCCC)cc1C 815080286 NYPXFQGSWDSTNA-UHFFFAOYSA-N 283.318 3.934 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C)cc(C)n2)n1 815707261 RBXLQWZQHINUKK-UHFFFAOYSA-N 257.337 3.602 30 20 CHED C=CCCCCCN[C@@H]1CCCC[C@@H]1n1cccn1 488084322 GGNARDNCCOYWQR-CVEARBPZSA-N 261.413 3.703 30 20 CHED CC(=NOCC1CC1)c1ccc(C(F)(F)F)cc1 814241140 DPUQBKKMMGODML-UHFFFAOYSA-N 257.255 3.856 30 20 CHED Cc1cccc2c1CC[C@H]2/N=C/c1ccccc1O 729641148 CZTIEKCUQRDODO-YCPFAOKUSA-N 251.329 3.807 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(OCC2CC2)cc1 488842974 SMFKLUZMKXFTCN-INIZCTEOSA-N 285.387 3.656 30 20 CHED C[C@@H](C=NNc1nc(-c2ccncc2)no1)C1CCCCC1 814827239 ALLDPMUZIVTHHH-LBPRGKRZSA-N 299.378 3.746 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C#N)c1ccc(CC)cc1 579524795 SEJNGOJALLITOH-WBVHZDCISA-N 270.376 3.532 30 20 CHED N#Cc1cnc2cccc(Br)c2c1Cl 575625064 WLVPFJKNQFYRQF-UHFFFAOYSA-N 267.513 3.522 30 20 CHED C#Cc1ccc(C(=O)Oc2cc(Cl)ccc2Cl)nc1 728797125 DCUUOXQTCAEDSS-UHFFFAOYSA-N 292.121 3.589 30 20 CHED Cc1csc(NC(=O)N[C@H](C2CCC2)C2CC2)c1C#N 571698068 OBJYYGCJKACUPP-CYBMUJFWSA-N 289.404 3.628 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 499496257 HJBHFPKRYGBQDC-ZIAGYGMSSA-N 274.408 3.615 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)c1ccccc1F 490028768 HEAKMZOKFZHSSR-GFCCVEGCSA-N 263.356 3.648 30 20 CHED Cc1cccc2c1C/C(=C/c1cccc3c1OCO3)C2=O 729151671 VHANRMVVZWBUJI-JYRVWZFOSA-N 278.307 3.546 30 20 CHED CC(C)c1ccccc1NC(=S)NN=Cc1ccco1 727061556 MFFFMBBWQMZTTQ-UHFFFAOYSA-N 287.388 3.724 30 20 CHED C=C(C)CNC(=O)c1cc(C2CC2)nc2ccc(C)cc12 490051884 XOWACYNQFUXWMP-UHFFFAOYSA-N 280.371 3.727 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CCC[C@@H]1CCC(C)C 727784027 ATEHJXLBNSYXQK-ZIAGYGMSSA-N 268.470 3.632 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C\c1ccccc1F 728874050 LYLMEKBQBHAXNO-HJWRWDBZSA-N 288.366 3.627 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 581825651 FJQLNLIRKKLKJO-YSVLISHTSA-N 257.377 3.808 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1ccc(C(F)(F)F)cc1C 582351919 UNHGNRCQZBDZKB-CQSZACIVSA-N 298.308 3.570 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C1CCC1)C1CC1 582164746 ZFHFXFUMHGQXAC-MRXNPFEDSA-N 283.375 3.567 30 20 CHED N#Cc1cc(Cl)cc(-c2cncc([C@@H]3CCCN3)c2)c1 906185040 KZOQZGPEEWTMFI-INIZCTEOSA-N 283.762 3.698 30 20 CHED C=CCCCCOc1c(C)[nH]c2ccccc2c1=O 902528853 GMTZKWNKGGFQIH-UHFFFAOYSA-N 257.333 3.572 30 20 CHED Cc1cc(NN=C(C(C)C)C2CCCCC2)ncn1 733901035 ABBUCZPSFKWFHR-UHFFFAOYSA-N 260.385 3.789 30 20 CHED CC[C@H](NC[C@@H](O)c1ccccc1C)c1cccc(C#N)c1 902803739 XYNZETNEMPSTFF-RBUKOAKNSA-N 294.398 3.641 30 20 CHED C[C@H]1C[C@H](NCC2(C#N)CCC2)c2ccsc2S1 903032115 PZIWWMWFSRNIFB-JQWIXIFHSA-N 278.446 3.957 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CCSc2c(F)cccc21 837319784 MUDIMLQCCHTWNQ-CYBMUJFWSA-N 291.391 3.528 30 20 CHED CC[C@H](N[C@@H]1CCO[C@H](C(C)C)C1)c1cccc(C#N)c1 902849354 LVBCJJMDDSKJEY-SQNIBIBYSA-N 286.419 3.803 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1cccc(OC(F)F)c1 837343706 DMNPQWFBXICHIF-NSHDSACASA-N 295.329 3.515 30 20 CHED Fc1ccc(NN=C2CCC[C@@H]2c2ccccc2)nc1 732532895 VMFNVJLAVPLBCC-CQSZACIVSA-N 269.323 3.956 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c2ncccc12 905928561 DXALEMQTHURGSZ-UONOGXRCSA-N 294.354 3.782 30 20 CHED N#Cc1cc(N[C@@H]2CCCC[C@@H]2Cc2ccccc2)ncn1 582942145 AWUIKIPCZIRFNK-NVXWUHKLSA-N 292.386 3.562 30 20 CHED C=CC[C@H](C)NC(=O)/C=C/c1ccccc1OC(F)(F)F 735066034 MQMMKJHLPAKCOG-USKTWTLRSA-N 299.292 3.679 30 20 CHED C#Cc1ccc(C(=O)N2CC[C@H](C)c3cccc(C)c32)nc1 839385726 ATWDCQPOUJYZQV-ZDUSSCGKSA-N 290.366 3.525 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(OC)c2F)o1 588619289 YBBSFLSFAGOCCL-CLFYSBASSA-N 274.291 3.886 30 20 CHED C=CCCCOC(=O)c1cc2c(OC(F)F)cccc2[nH]1 735529257 ZJOIQVZPEYOKKS-UHFFFAOYSA-N 295.285 3.892 30 20 CHED C=CC[C@@H]1CC[C@H](N[C@@H](C(=O)O)c2ccc(C)c(C)c2)C1 901842728 AJPZUYSMFCEAAP-HYVNUMGLSA-N 287.403 3.764 30 20 CHED CC(C)C[C@@H]1C[C@H]1NCc1ccc(O[C@@H](C)C#N)cc1 839162419 AZINJAYRNUMGCK-YSVLISHTSA-N 272.392 3.502 30 20 CHED CO[C@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 901530181 IKNAQDCQECPECM-ZETCQYMHSA-N 261.268 3.662 30 20 CHED C[C@]1(C(=O)[C@H](C#N)c2cnc3ccccc3n2)CC=CCC1 835348906 QFQTWPJDBCGMRS-ACJLOTCBSA-N 291.354 3.552 30 20 CHED COC1(C/N=C\c2cc(Cl)cc(Cl)c2O)CCC1 588410013 XOEJWXIMICUIGS-APSNUPSMSA-N 288.174 3.687 30 20 CHED C=CCC1(CNC(=O)C=C2CCSCC2)CCCC1 836991082 OHIRJGOFSQKKMO-UHFFFAOYSA-N 279.449 3.693 30 20 CHED CCOC(=O)C(C)(C)ON=C(C)[C@@H](C)c1ccccc1 835004983 JHBREIWRMXAPQV-GFCCVEGCSA-N 277.364 3.524 30 20 CHED CCN(Cc1c[nH]c2ccccc12)C(=O)CCCCCC#N 588702898 XKULFMMDBHBAPR-UHFFFAOYSA-N 297.402 3.990 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cnc3c(F)cccc3c2)C1 839061937 JCFCSYBIBUTZAL-RISCZKNCSA-N 298.317 3.613 30 20 CHED C[C@@H](NN=C/C=C/c1ccc(F)c(F)c1)C(F)(F)F 834998379 TWBTZKHYOBUJTJ-ADIQSITOSA-N 278.224 3.504 30 20 CHED C=CCC(C)(C)COC(=O)C1(C(F)(F)F)CCC1 835462018 CQOLHOCTIOBRIT-UHFFFAOYSA-N 264.287 3.865 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CCC[C@@H]1CC)c1ccccn1 835134070 RCUBWWCSCCNLNT-LZWOXQAQSA-N 271.360 3.516 30 20 CHED C[C@H]1CC2(CCOCC2)CN1c1ccc(Cl)cc1C#N 591991337 DZKNGSDCCXOAJV-LBPRGKRZSA-N 290.794 3.607 30 20 CHED CCCCCCCC(=O)NCc1ccc(C)c(OC)c1 919705830 BPGJTSZCKHCZGA-UHFFFAOYSA-N 277.408 3.980 30 20 CHED CCCCCCCC(=O)Nc1cccc2c1OCCO2 917847831 QXRFXCGUKCOOPD-UHFFFAOYSA-N 277.364 3.757 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](SC)c1ccccc1 598889148 TXZKHAKCXDIPKZ-CQSZACIVSA-N 277.433 3.952 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(F)c(F)c1)O2 915988939 ORGGGYHQPKCWBI-NSIKDUERSA-N 288.249 3.595 30 20 CHED COCc1ccc(C=NNc2ccccc2Cl)cc1 741757407 PIEHQJAHFRXHIA-UHFFFAOYSA-N 274.751 3.932 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2Cc3ccccc32)cc1 742056880 KNOJKBFLPAXDCF-SFHVURJKSA-N 290.366 3.582 30 20 CHED N#Cc1ccc(C(=O)COC(=O)CC2CCCCCC2)cc1 748301392 CQYKMMSCVWSGLD-UHFFFAOYSA-N 299.370 3.645 30 20 CHED Cc1ccccc1[C@H](NC[C@H](O)CC(C)(C)C#N)C(C)C 598603012 ROROUAPXFPCOLZ-NVXWUHKLSA-N 288.435 3.583 30 20 CHED CC[C@@H](CC(=O)Nc1nc(C)cc(C)c1C#N)C(C)C 598853068 KPCNSFADAJLTOF-ZDUSSCGKSA-N 273.380 3.581 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 744352725 PKEXHURJVHGKRT-JTQLQIEISA-N 288.734 3.855 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1ccc(C)cc1 915977312 YVHWSMCZBYNDRJ-UHFFFAOYSA-N 274.314 3.787 30 20 CHED N#Cc1ccc(CCNCc2ccc(C3CC3)cc2)cc1 594956732 ZVBKFLCBXYXXHM-UHFFFAOYSA-N 276.383 3.768 30 20 CHED CC[C@H](C)Oc1cccc(NC[C@H](O)CC(C)(C)C#N)c1 598726240 QOCBSFQTGGSORL-DZGCQCFKSA-N 290.407 3.577 30 20 CHED COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1C 743495373 DQGHQHCBMCRWOE-AWEZNQCLSA-N 280.371 3.726 30 20 CHED Cn1nccc1-c1ccc(C2(C#N)CCCCC2)cc1 592985277 KPKZAEDUIOVIBR-UHFFFAOYSA-N 265.360 3.813 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCOC(C2CC2)(C2CC2)C1 595822313 QLVRQTGLQUAAOL-CQSZACIVSA-N 296.414 3.510 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@H](C)CC(C)(C)C 916877423 FNWMZHLYPPDQNI-LBPRGKRZSA-N 289.375 3.935 30 20 CHED C=C(C)CONC(=O)N(C)[C@H](C)c1cccc(Cl)c1 845593901 USVYQQMFOSSYTH-LLVKDONJSA-N 282.771 3.550 30 20 CHED CCCCC(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 916877909 IQIQRIJLKDFIDW-CYBMUJFWSA-N 282.343 3.558 30 20 CHED Cc1cc(N2CCC[C@@H](CC#N)C2)nc(-c2cccs2)n1 596325424 KTIJLQYRXGWAGV-ZDUSSCGKSA-N 298.415 3.644 30 20 CHED C=CCC[C@H](NC(=O)NOCC(=C)C)c1ccccc1 845600483 HXDPWRNKOQBLSN-HNNXBMFYSA-N 274.364 3.501 30 20 CHED CCCc1ccc(CCCC(=O)N(C2CC2)[C@@H](C)C#N)cc1 598136343 FSJRSNNDQNXKEO-HNNXBMFYSA-N 298.430 3.865 30 20 CHED N#Cc1ccc(CNCc2cccc3c2CCC3)cc1Cl 593625044 QRJRXLUHXLQUAS-UHFFFAOYSA-N 296.801 3.990 30 20 CHED CCc1ccc(C(C)=NOCc2cccnc2)s1 746588025 IYCQQQVKWAVNIE-UHFFFAOYSA-N 260.362 3.646 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCCc2ccc(C#N)cc2)o1 594956698 YTKCNNPUCHBRHE-CXAGYDPISA-N 280.371 3.607 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2c(cnn2C(C)C)c1 682416531 BQIGUUOVPLHGBO-UHFFFAOYSA-N 286.379 3.657 30 20 CHED C#CCNC(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 918049533 RZAIDEFYJBQSNG-UHFFFAOYSA-N 294.354 3.850 30 20 CHED Cc1c(Cl)cnc(N2CCCC(F)(F)CC2)c1C#N 599133285 ILALBDJWNMYKJC-UHFFFAOYSA-N 285.725 3.541 30 20 CHED Clc1cc(C=NOCc2cccnc2)c2ncccc2c1 746576618 LSCQKCVMOFKHGK-UHFFFAOYSA-N 297.745 3.834 30 20 CHED CCCn1ccc2cc(NC(=O)[C@@H](C#N)CC)ccc21 593443802 TXSYVAYSSKMDRD-GFCCVEGCSA-N 269.348 3.540 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cc(F)ccc1OC)C(C)C 918071374 XYONVGNUHGGWDS-LBPRGKRZSA-N 294.370 3.501 30 20 CHED COc1cc2ccc([C@@H](C)NCCCC#N)cc2cc1OC 595033706 SJHIGUDVPZOTTR-CYBMUJFWSA-N 298.386 3.811 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2Nc1cnn(CCF)c1 599069280 DYVACPRKVZQRGO-QGZVFWFLSA-N 298.365 3.604 30 20 CHED C=C[C@@H](C)ONC(=O)C1CCC(c2ccccc2)CC1 846546128 LPFUWCCZMCCPEY-IUDNXUCKSA-N 273.376 3.583 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCCc3sccc32)cc1 595055982 NYVBVJPZBQLSPG-MRXNPFEDSA-N 282.412 3.829 30 20 CHED CC[C@](C)(C/N=C\c1c(O)ccc2ccccc12)OC 840708708 YJGMHQWLKGAXIT-LVSMMTLPSA-N 271.360 3.779 30 20 CHED CC1(C)CCCC1=NNc1nc2cc(F)c(F)cc2[nH]1 749857630 DICRMULFBLRUFZ-UHFFFAOYSA-N 278.306 3.819 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cncnc1C 848406019 GTEWRIKKFQOOGJ-UHFFFAOYSA-N 268.364 3.546 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@H](C)CSc1ccccc1 844687233 XLDUPGOGCWVAEX-GFCCVEGCSA-N 299.386 3.837 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccc(F)cc1F 924544940 LJWYDYSKPXCZRH-WDEREUQCSA-N 266.335 3.944 30 20 CHED Cc1ccc([C@H](C)NCc2cc(C#N)ccc2F)c(O)c1 756731159 FHVKKEIKXOFPGR-LBPRGKRZSA-N 284.334 3.562 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2cc(C#N)cs2)[C@H](C)C1 752183638 HXUZIEKDKHKJCR-CKYFFXLPSA-N 263.362 3.601 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1cc(F)cc(F)c1O 757471466 CSSBREFHIVOPSX-ONEGZZNKSA-N 295.672 3.615 30 20 CHED CC(C)CC1(NCc2ccc(O[C@@H](C)C#N)cc2)CC1 850404598 PBCNTIFZUVWPNK-AWEZNQCLSA-N 272.392 3.646 30 20 CHED C=CCCC[C@H](C)NC(=O)NC(C)(C)CC(F)(F)F 681985846 QGCHUGJCNZLZIS-JTQLQIEISA-N 280.334 3.761 30 20 CHED Cc1cccc2oc(CCN[C@@H](C)CC(C)(C)C#N)nc12 925185615 NMPSGPKCKYAHGN-ZDUSSCGKSA-N 285.391 3.597 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O 756790208 MJQRBVHZOGQNQY-OLZOCXBDSA-N 291.391 3.574 30 20 CHED N#Cc1cc(NC(=O)c2scnc2Cl)ccc1Cl 920081053 PXYAKQXRYIVWNY-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C#CCCCCNC(=O)NC(C)(C)c1ccc(Cl)cc1 758745428 JTKYHXKBFBMHOG-UHFFFAOYSA-N 292.810 3.678 30 20 CHED C=CCCOC(=O)c1cnn(C(C)C)c1-c1ccccc1 753616220 KDSLVAABPWQELY-UHFFFAOYSA-N 284.359 3.864 30 20 CHED CCC(C)(C)C(=O)OCc1ccc(C#N)cc1OC(F)F 752548233 UFVOGNSRBBCCGR-UHFFFAOYSA-N 297.301 3.639 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(C)c(C)c1O 850501594 FETAJKMAEWDTHW-CQSZACIVSA-N 279.449 3.969 30 20 CHED CCCCc1ccc(C(=O)/C=C\c2cn(C)nc2C)cc1 755582373 XINGJLVDBVORSB-QXMHVHEDSA-N 282.387 3.967 30 20 CHED C=CCN(C(=O)c1scnc1Cl)c1ccccc1 920081350 UQSGIXRHEHKHOE-UHFFFAOYSA-N 278.764 3.629 30 20 CHED C[C@H]1CCc2sc(C(=O)OCCCCC#N)cc2C1 754404309 WDUDOLINJFDAJT-NSHDSACASA-N 277.389 3.724 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2ccccc2n1 851213393 GCQJYHMFCMDTFS-GFCCVEGCSA-N 282.343 3.720 30 20 CHED N#CCCCNC(=O)Nc1ccc(-c2ccccc2)cc1F 752485661 OQFZRJHOTZJBQM-UHFFFAOYSA-N 297.333 3.918 30 20 CHED CCCCCCCCOCC(=O)N1[C@H]2CCC[C@H]1CC2 752471439 UUGFIVXJFWCUIZ-HOTGVXAUSA-N 281.440 3.907 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(-n2cccc2)nc1 753234744 AYNXJHSUWWXETI-UHFFFAOYSA-N 297.402 3.691 30 20 CHED CC(CC12CC3CC(CC(C3)C1)C2)=NNC1CCOCC1 757592645 MOCNHMJXRDZLOX-UHFFFAOYSA-N 290.451 3.737 30 20 CHED CC(C)C=Nn1cnnc1SCc1ccc(Cl)cc1 755595044 WEEHESZKIVQGQU-UHFFFAOYSA-N 294.811 3.714 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2cc(F)ccc2F)c1 757474210 KWAZWGZDEFHWQC-DAXSKMNVSA-N 299.276 3.763 30 20 CHED CCC(=NNc1cc(Cl)ccc1Cl)c1ccn(C)n1 758124602 PCZCMLQHOCVJSX-UHFFFAOYSA-N 297.189 3.953 30 20 CHED C=CCSCCNC(=O)/C(C)=C/c1cccc(Cl)c1 758819840 GZEKVZQNDLLJHU-ZRDIBKRKSA-N 295.835 3.779 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C\c1ccsc1 759608500 JQBDXOSXXPCXOB-XQRVVYSFSA-N 297.383 3.703 30 20 CHED Cc1ccc(-c2nc(-c3c(C)nsc3C)no2)cc1C#N 752879707 WPHMZMUVWUEQNG-UHFFFAOYSA-N 296.355 3.657 30 20 CHED C#C[C@H](C)N(C)C(=O)CCCc1ccc2ccccc2c1 767237426 OHDGFDOCQSIZNR-HNNXBMFYSA-N 279.383 3.643 30 20 CHED FC(F)(F)c1ccc(NN=CC[C@H]2CCOC2)cc1 765584269 MGTIEHJBWLZWDA-JTQLQIEISA-N 272.270 3.530 30 20 CHED COc1ccc(N(C)CCCCC(C)(C)C#N)cc1OC 769705573 MVXZJYSZPQRMGA-UHFFFAOYSA-N 290.407 3.860 30 20 CHED FC(F)(F)CON=C1CCc2ccc(Cl)cc21 762447210 AAABNUCRYOJQKT-UHFFFAOYSA-N 263.646 3.569 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc(CC#N)ccn1 934863194 IRZSKKHMWRWXCD-UHFFFAOYSA-N 297.358 3.599 30 20 CHED CCN(C[C@@H](O)c1ccc(C#N)cc1)c1cc(C)ccc1C 763491695 BWAQYIXTNYMIND-LJQANCHMSA-N 294.398 3.735 30 20 CHED CCSc1cccc(C=NNc2ccc(Cl)nn2)c1 769765951 YWZYESBTQDIIBR-UHFFFAOYSA-N 292.795 3.688 30 20 CHED C=CCCCCCCNC(=O)c1ccc(C(C)C)nc1O 935970807 FTJKUVBTCSLABE-UHFFFAOYSA-N 290.407 3.777 30 20 CHED CC(C)(C#N)CCCCOC(=O)/C=C\c1ccccc1C#N 768537321 ALNBCMFDZSTKEY-KTKRTIGZSA-N 296.370 3.835 30 20 CHED O=C(O)c1cc(/C=C\C(=O)C2CCCCC2)ccc1F 863182070 YJQSRIIIHJZBDY-CLFYSBASSA-N 276.307 3.687 30 20 CHED C#CC[C@H](NC(=O)N[C@@H](C)CCC1CC1)c1ccccc1 768948576 YQDMRWJJMCMZJM-YOEHRIQHSA-N 284.403 3.629 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CC(C)(C)c1ccc(F)cc1 864904909 RACXGAPGJUHXQE-ZDUSSCGKSA-N 290.382 3.502 30 20 CHED C#CCCN(CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 760819262 HSDBWKAJCXAERF-CYBMUJFWSA-N 299.336 3.738 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 879696783 UFROXRRJMKMVGH-SNVBAGLBSA-N 277.330 3.778 30 20 CHED CCN(CC)c1ncc(C=NOC2CCCCC2)s1 777459318 NTSPLYKWCICQRA-UHFFFAOYSA-N 281.425 3.673 30 20 CHED C=CCC[C@@H](C(=O)OCC(=O)C1CCC1)c1ccccc1 778550674 DHNMDGMQCMQTMJ-MRXNPFEDSA-N 286.371 3.649 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc[nH]1 776878769 BONOAVQCRCYJAL-GFCCVEGCSA-N 286.400 3.784 30 20 CHED C=CCC[C@H](CC)N[C@H](C(=O)OC)c1cc(F)ccc1F 779178356 JIXMOZHWTCAVAZ-WFASDCNBSA-N 297.345 3.513 30 20 CHED CN(C)c1ccc(/C=C2\Oc3cc(F)ccc3C2=O)cc1 773174464 VVPUSSXPJJDIHI-SXGWCWSVSA-N 283.302 3.508 30 20 CHED CC(C)(C)c1ccc(OCc2nnc(CCCC#N)o2)cc1 1118364960 MRQALKYJDAIVCD-UHFFFAOYSA-N 299.374 3.792 30 20 CHED C#CCCOC(=O)CCCc1cccc(C(F)(F)F)c1 770424831 AEAUTNASQXIVAL-UHFFFAOYSA-N 284.277 3.595 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccc(CC)o1 772986129 ADRUHOZSTOOBMH-CQSZACIVSA-N 283.371 3.705 30 20 CHED C[C@H]1CC[C@H](CC(=O)OCc2ccc(CC#N)cc2)C1 776113185 BXLYMFYFPPVOSW-BBRMVZONSA-N 271.360 3.622 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nnc(-c2cc3ccccc3o2)o1 1118375572 RHDXDDLOZRECPE-NEPJUHHUSA-N 282.299 3.541 30 20 CHED COc1ccc(Cl)cc1/C=C/C(=O)c1cscn1 776193776 VCCBMTCNZKOLEF-DUXPYHPUSA-N 279.748 3.701 30 20 CHED CSc1cc(C)c(C(=O)O[C@@H](CC#N)c2ccco2)o1 1123370189 RXYXKUNLNKETHC-NSHDSACASA-N 291.328 3.715 30 20 CHED C=CCCN1CCc2cccc(NC(=O)OC(C)(C)C)c21 775767451 BRWLDHUFTIVASD-UHFFFAOYSA-N 288.391 3.972 30 20 CHED C=CC[C@H](N[C@H]1C[C@H](OCC)C12CCC2)c1ccncc1 776155972 JNQPZOOJEDIZRK-ULQDDVLXSA-N 286.419 3.636 30 20 CHED C=CCC[C@@H](CCC)NC[C@]1(O)CCc2ccccc21 773102428 MSFNKMRGEBIPPN-SJLPKXTDSA-N 273.420 3.545 30 20 CHED Cc1c(C(=O)/C=C\c2nc(Cl)cs2)cnn1C(C)C 787185829 BZCXXZPQZLORNJ-PLNGDYQASA-N 295.795 3.778 30 20 CHED CSc1ccccc1COC(=O)c1cc(C#N)cs1 781247405 DHTVEGBBACIPLS-UHFFFAOYSA-N 289.381 3.699 30 20 CHED Cc1cc(/C=C\C(=O)c2cncs2)cc2cccnc12 787173240 YUNDMNULUKBAAP-PLNGDYQASA-N 280.352 3.896 30 20 CHED CCC(=NNCc1cccc(Cl)c1Cl)c1cn[nH]c1 789050865 MUMRWFMJYKFOAW-UHFFFAOYSA-N 297.189 3.620 30 20 CHED CS[C@H]1CC[C@H](Nc2ncc(Cl)c(C)c2C#N)C1 784161924 JDGVQALMSBJJAD-UWVGGRQHSA-N 281.812 3.611 30 20 CHED C=C[C@](C)(CCOC)C(=O)Oc1ccc(Cl)cc1C 782197233 JHAFMPMYHAINOJ-OAHLLOKOSA-N 282.767 3.783 30 20 CHED C#CCC1(C(=O)Nc2ccc(F)c(OC)c2)CCCCC1 788246256 TZNWWOKEGTZSMH-UHFFFAOYSA-N 289.350 3.747 30 20 CHED C[C@@H]1CC(=NOC[C@H]2CCOC2)C[C@@H](c2ccccc2)C1 788029112 CTSFPJIOIMABPA-ZOBUZTSGSA-N 287.403 3.999 30 20 CHED CCCC(=CC(=O)N1CCC[C@@](C)(C#N)C1)CCC 784747738 UCJLKMIKFRLXPP-INIZCTEOSA-N 262.397 3.665 30 20 CHED C=CCCCCCOC(=O)[C@@H]1CCO[C@H](CCC)C1 784607976 APRGIOCTQXRMEX-HUUCEWRRSA-N 268.397 3.871 30 20 CHED C#Cc1cccc(N(C)C(=O)Cc2ccc(Cl)cc2)c1 103032936 ZMVZWRSJAIIAAO-UHFFFAOYSA-N 283.758 3.527 30 20 CHED N#CCCN(CC1CC1)C(=O)CCCC1CCCCC1 103438182 PEZWOIPQIJFHSL-UHFFFAOYSA-N 276.424 3.889 30 20 CHED C=CCCCCC[C@@H](C)NC1CCN(CC)CC1 793517440 NPLMTWTXNZRITR-OAHLLOKOSA-N 252.446 3.585 30 20 CHED C#C[C@H](NC(=O)C1CCC(c2ccccc2)CC1)C(C)C 799046652 NLSADENCBVLOLR-ABHNRTSZSA-N 283.415 3.734 30 20 CHED CCc1cnccc1C(C)=NOCc1ccccc1OC 799117710 OWGCRLSDQGGFCC-UHFFFAOYSA-N 284.359 3.593 30 20 CHED Cc1scc(COC(=O)c2cccc(C#N)c2)c1C 1132502982 JMRWUCAQUBIGBY-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C=CCOc1ccc(OCC[C@@H](O)c2ccccc2)cc1 795216070 VZTTWOLQLRVYJN-GOSISDBHSA-N 284.355 3.754 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H]1CCCN(CC)C1 793526203 KXLSAOPFKPBECS-IAGOWNOFSA-N 266.473 3.833 30 20 CHED C=C(C)CCOC(=O)[C@H](C)[C@H]1OCCc2sccc21 796474326 PWBTZYNWSOPEMX-BXUZGUMPSA-N 280.389 3.507 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)Cc2ccc(C)s2)n1 80245047 PUHVYICYLIZSDH-LLVKDONJSA-N 271.389 3.675 30 20 CHED CS[C@H](C)CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567669 ADBXPNDAGTVBBU-NXEZZACHSA-N 296.461 3.758 30 20 CHED CC[C@@H](C)CCC(=O)Nc1ccc(Cl)cc1C#N 1130936596 KJZRQVRZROHKHK-SNVBAGLBSA-N 264.756 3.976 30 20 CHED C#Cc1cccc(NCc2cnn(Cc3ccccc3)c2)c1 192741244 QJTYPULPYWXGKM-UHFFFAOYSA-N 287.366 3.525 30 20 CHED FC(F)(F)CCNN=C(Cc1ccccc1)C1CC1 794551067 ASPSBMWTXZHQTB-UHFFFAOYSA-N 270.298 3.537 30 20 CHED Cc1cc(CN2CCC[C@@H](CC#N)C2)ccc1Cl 597175819 FBWBSDPVLUALGP-ZDUSSCGKSA-N 262.784 3.774 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(C)C 799042664 KPZUGDJITYILLG-YPMHNXCESA-N 295.835 3.595 30 20 CHED CC(C)c1nnc(S)n1N=CC1CCC(C(C)C)CC1 794872537 GLWPPDAETLTIJI-UHFFFAOYSA-N 294.468 3.987 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1cccc(C)c1C 798375362 IGOIALIZUPONRJ-CYBMUJFWSA-N 262.422 3.945 30 20 CHED CCC(=NNc1cccc(F)n1)c1ccc(C)cc1 795007878 PEJMZVAIJCXNSU-UHFFFAOYSA-N 257.312 3.755 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1c(F)ccc(O)c1F)C2 794942047 GSJMJHJQTPQVIM-DHZHZOJOSA-N 286.277 3.801 30 20 CHED CCC(CC)[C@H](NC(=O)[C@H](C#N)CC)c1ccccc1 593489418 UBYATOJTZDZQEM-HOCLYGCPSA-N 272.392 3.830 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(C(F)F)c1 1144076764 MVHLESQWNRFMOP-UHFFFAOYSA-N 267.319 3.843 30 20 CHED C[C@H]1C[C@H](Nc2cccc(OCC#N)c2)CC[C@H]1C 84985099 PRPHPVLBVNRMRJ-VNHYZAJKSA-N 258.365 3.826 30 20 CHED C#CCCCCN[C@H](CCC)c1cccc([N+](=O)[O-])c1 90397276 ORTCQKFMZFPJGS-MRXNPFEDSA-N 274.364 3.829 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H]1COc2ccccc21 92301287 DEHWEEKGVMUKRU-GFCCVEGCSA-N 284.746 3.800 30 20 CHED C#CC(C)(C)N(C)Cc1ncc(-c2cccc(Cl)c2)o1 787997737 QQNDSEZOZFUUJH-UHFFFAOYSA-N 288.778 3.839 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN1CCc2ccc(C#N)cc21 1168924242 ACTBKBRKAARLPP-KDOFPFPSSA-N 284.403 3.516 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(C)CC1 1318597862 UZHOKKHMNQFDEE-LLVKDONJSA-N 289.404 3.755 30 20 CHED N#Cc1c(CN2CC[C@@H]3CCCC[C@@H]3C2)cn2ccccc12 1317858940 NJUMROXOFAUBNV-JKSUJKDBSA-N 293.414 3.823 30 20 CHED CC(C)(C)c1ccc(NN=C2CCc3cc(F)ccc32)nn1 1318576741 XGJZGAAJRPPDST-UHFFFAOYSA-N 298.365 3.676 30 20 CHED COc1cc(C=NOC2CCCCC2)ccc1F 1325853086 JLXWUOBFUBNACL-UHFFFAOYSA-N 251.301 3.518 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)OCc1ccc(C#N)cn1 1320916608 YPUPUFDCVPJMTI-ZDUSSCGKSA-N 286.375 3.603 30 20 CHED N#CCc1cccc(N2CC=C(c3ccc(F)cc3)CC2)n1 1320365025 WGFIKWLWVXAYPR-UHFFFAOYSA-N 293.345 3.580 30 20 CHED CCN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@@H](C)C#N 1328431034 AZFHFPYRAWPGHN-AWEZNQCLSA-N 286.419 3.677 30 20 CHED CN(C(=O)c1csc(C#N)c1)[C@@H]1CCC[C@H]1C(C)(C)C 1325342667 YQWSLOOKVAQSAS-ZIAGYGMSSA-N 290.432 3.907 30 20 CHED C[C@@H]1N(c2ccnc(C#N)c2)c2ccccc2C1(C)C 1187034878 PIEXEGBLWKRVAB-LBPRGKRZSA-N 263.344 3.771 30 20 CHED N#Cc1c[nH]ccc1=NCC1(c2cccs2)CCCCC1 1185461067 UKEZUPSLGIYAJG-UHFFFAOYSA-N 297.427 3.751 30 20 CHED C=CCN(CCC#N)Cn1cc(-c2ccccc2)oc1=S 1330192017 MLHJUTWUSSFGAT-UHFFFAOYSA-N 299.399 3.837 30 20 CHED C=CCOc1ccc(OC(=O)C2(C(C)(F)F)CC2)cc1 1331440761 LBYNZYOWUZKGHN-UHFFFAOYSA-N 282.286 3.592 30 20 CHED N#Cc1cccc(-c2nnc(-c3c(F)cccc3F)o2)c1 1257951732 SMZCGPVVUXCRGJ-UHFFFAOYSA-N 283.237 3.553 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cc3ccccc3o2)no1 1331966532 WNXOIXAHHCVHCI-WFASDCNBSA-N 296.326 3.931 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(F)ccc1F 1347513333 YFEFLRHVUWORGN-GFCCVEGCSA-N 265.303 3.536 30 20 CHED Cc1cc(/C=C2/CCc3c(Cl)cccc3C2=O)n(C)n1 1261372593 BLYOQAZJGXPFHM-LUAWRHEFSA-N 286.762 3.594 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccc(OCCC)c(OC)c1 1345632571 LURWWDQFLRWPGM-CYBMUJFWSA-N 291.391 3.627 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)C2(C3CCCCC3)CC2)C1 1342998398 CIBAJIMAONZNEG-OCCSQVGLSA-N 261.365 3.582 30 20 CHED C[C@H]1CCC[C@@H](OC(=O)c2ccc(C#N)c(Cl)c2)C1 1352586067 HOCDDNQSAJKQIO-GXFFZTMASA-N 277.751 3.947 30 20 CHED Cc1cc(C(=O)N2CCc3c(C#N)cccc32)ccc1Cl 1436919307 NBOCUJXILSDXOW-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=C(CC)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 1351213909 ZOZDRHHVJNDJQN-FQEVSTJZSA-N 293.432 3.639 30 20 CHED Cc1c(Cl)cnc(NC2CC3(CCC3)C2)c1C#N 1458462303 NIJGQKVMNCRTPZ-UHFFFAOYSA-N 261.756 3.660 30 20 CHED CC(=O)c1ccc(Oc2cc(C)c(C#N)cn2)cc1Cl 1458631295 MDFWXVGTSBTZCP-UHFFFAOYSA-N 286.718 3.910 30 20 CHED N#CC1(c2ccc(CNc3ccc(C(=O)O)cc3)cc2)CC1 1601057967 FMAWVTWJNMPLJP-UHFFFAOYSA-N 292.338 3.552 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2cc(C#N)ccc2F)c1 1538543709 GREVLZVPNCTRRR-UHFFFAOYSA-N 296.345 3.671 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCCC2CCCC2)C1 1460798163 PTAHQBKXPRIQTD-HUUCEWRRSA-N 263.381 3.972 30 20 CHED Cc1ccc(CS[C@H](C(=O)O)c2ccc(C#N)cc2)o1 1600421912 KVQDJJVFQCMVKD-AWEZNQCLSA-N 287.340 3.519 30 20 CHED C[C@H]1CN(c2nc(C#N)c(Cl)s2)c2ccccc21 1472811977 VQLZFGRZKZNPCS-QMMMGPOBSA-N 275.764 3.923 30 20 CHED C=C(Br)CN1CC[C@H](Cc2ccccc2)[C@H]1C 1473216052 PHLZFUCQKDIXSA-UKRRQHHQSA-N 294.236 3.848 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 1475823474 GUZNGYHKQDOETA-CABCVRRESA-N 285.391 3.896 30 20 CHED CCc1ccc(C)nc1NCc1ccc(C#N)c(C)c1 1621003663 RTZSBQDQVAEHPU-UHFFFAOYSA-N 265.360 3.745 30 20 CHED N#CCC1(CN(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)CC1 1559492309 LWPOLZRAYBLKIJ-JYJNAYRXSA-N 272.436 3.971 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNc1cccc(C#N)n1 1559212207 DSWNLSWQSROYRM-UONOGXRCSA-N 257.381 3.972 30 20 CHED C#CCCCCC(=O)N1CCC2(CCCCC2)CC1 119782668 AXVLOJSCLPSVMV-UHFFFAOYSA-N 261.409 3.753 30 20 CHED CN(c1ccnc(C#N)c1)[C@H]1CCC[C@H]1C(C)(C)C 1559216068 MYGLXUUJKPKZPB-CABCVRRESA-N 257.381 3.604 30 20 CHED Cc1cc(NCc2cccc(C(F)F)c2)ncc1C#N 1639784820 MHNBVONTOCJWRW-UHFFFAOYSA-N 273.286 3.811 30 20 CHED Cc1ccccc1C[C@H](C)NCC(C)(C)CCC#N 229690826 SHPQHAXUEZLGPP-HNNXBMFYSA-N 258.409 3.846 30 20 CHED N#Cc1ccc(Sc2nc3cccc(F)c3o2)cc1 1650660748 BJRBHBHQDCFQFM-UHFFFAOYSA-N 270.288 3.990 30 20 CHED C=C(Br)CN1CCCCC[C@H]1C(C)C 1653045652 UNGJJGLNDXVGRG-LBPRGKRZSA-N 260.219 3.796 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1587347452 MQLQKLAVCICEPJ-CHWSQXEVSA-N 296.374 3.589 30 20 CHED CC[C@H]1c2ccccc2CN1c1c(C#N)cccc1C#N 1655932419 MVCNCSIDWQAYHE-KRWDZBQOSA-N 273.339 3.901 30 20 CHED CCCCCCCN[C@@H](C(=O)O)c1ccc(F)cc1 1589645330 XBFWGZWWPLYWFP-CQSZACIVSA-N 267.344 3.511 30 20 CHED CCCCCCCCNC(=O)c1cc(C)cc(C(=O)O)c1 1595704263 AVNMFXDXUFIANF-UHFFFAOYSA-N 291.391 3.784 30 20 CHED CSc1ccc(/C=C/C(=O)c2cc(C(=O)O)co2)cc1 1599811768 ABHNDJFWSPNWND-QPJJXVBHSA-N 288.324 3.596 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(=O)O)s2)ccc1F 1777418418 FGXRVKRBKXFYOY-UTCJRWHESA-N 290.315 3.790 30 20 CHED CC(C)C[C@@H]1CCC1=NNc1ccc(C(=O)O)c(F)c1 1776077297 HIRRJVRPGYXXDX-JTQLQIEISA-N 278.327 3.748 30 20 CHED CCCC(=NNc1ccccc1C(=O)O)[C@@H]1CC1(C)C 1776030653 BGDUSDHGYVWPAU-LBPRGKRZSA-N 274.364 3.999 30 20 CHED CC(CCC(F)F)=NNc1cccc(C(=O)O)c1C 1776088695 CJSBYVQMISTSDE-UHFFFAOYSA-N 270.279 3.526 30 20 CHED Cc1ccc([C@H](CC(=O)O)/N=C(\O)[C@@H]2CC=CCC2)cc1 13181617 FTCACNYGFFWKSQ-CABCVRRESA-N 287.359 3.824 30 20 CHED Cc1cc(C)cc(N/C(S)=N\Cc2cccn2C)c1 13879190 WMYISCNKNCTLGM-UHFFFAOYSA-N 273.405 3.540 30 20 CHED C=CCN(C)C(=O)c1cc2ccccc2cc1OC(F)F 161877950 NNKNZIHOAICNQI-UHFFFAOYSA-N 291.297 3.699 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1C 206947874 GVGDPRIWFLOZPM-ALCCZGGFSA-N 294.350 3.971 30 20 CHED CCC(CC)(CNc1cccc(C#N)c1[N+](=O)[O-])SC 232977554 YNZCRJPULGTCOJ-UHFFFAOYSA-N 293.392 3.800 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(CC)CC 160537620 VVXLOMJYTXXDRH-UHFFFAOYSA-N 299.418 3.692 30 20 CHED CC(C)[C@@H](C)N(C(=O)Nc1ccc(C#N)cc1)C1CC1 152746471 IKEFGAAJGBUFRZ-GFCCVEGCSA-N 271.364 3.599 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ccc(Oc2ccccc2)cc1 153256003 OLAHVVDPKZIROB-CYBMUJFWSA-N 295.342 3.903 30 20 CHED CC(C)C[C@H](NC(=O)CC#N)c1cccc(C(F)(F)F)c1 153730537 PGZMPESFBRDLJI-ZDUSSCGKSA-N 298.308 3.822 30 20 CHED CC1(C)OB(C2CC(OCc3ccccc3)C2)OC1(C)C 642881899 BBLXQXYOTXFPEG-UHFFFAOYSA-N 288.196 3.828 30 20 CHED Cc1ccc(C#N)c(NCC(C)(C)c2cccs2)n1 126272123 PCIHIUATOBOUDX-UHFFFAOYSA-N 271.389 3.713 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1cccc(C#N)c1 151620058 GZSSOLSEAIHPOL-UHFFFAOYSA-N 270.719 3.772 30 20 CHED N#Cc1ccc(Cl)cc1NCc1cccc2c1OCO2 36954215 ORIJUQGHDHSUAX-UHFFFAOYSA-N 286.718 3.552 30 20 CHED CCCCCCN[C@H](C)c1ccc(OCC#N)cc1 37232550 HQYUFOPJCFCPMP-CQSZACIVSA-N 260.381 3.820 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1cccc(C#N)c1 37268988 BKDVCTSGUIVBTP-LLVKDONJSA-N 265.291 3.742 30 20 CHED N#Cc1ccc(NC(=O)C(C2CC2)C2CC2)cc1Cl 163554296 DUEJCWMQKFUQAZ-UHFFFAOYSA-N 274.751 3.586 30 20 CHED CCN(CCOc1ccccc1C#N)Cc1cccs1 48554200 SFIUIHLEBDRNLL-UHFFFAOYSA-N 286.400 3.521 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1F 50545285 SWLDHHDFQVFPSF-CYBMUJFWSA-N 268.335 3.857 30 20 CHED CCCCC1CCC(C(=O)N[C@H](C#N)C(C)C)CC1 70979820 DFMWDJREQHGPIG-YMAMQOFZSA-N 264.413 3.647 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]1CCO 311379648 XBIXSSVAISJWLW-HNNXBMFYSA-N 269.429 3.501 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2C2CC2)cc1Br 706653869 QIYFUPFVWRMONH-CQSZACIVSA-N 291.192 3.700 30 20 CHED C=CC[C@H](CC)N[C@@H]1C[C@H](OCC)C12CCCC2 393802423 MPLFIDMQDMOZIR-ZNMIVQPWSA-N 251.414 3.669 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C 399061502 CTBBNAPRLSDFGV-SECBINFHSA-N 264.756 3.832 30 20 CHED C[C@H](C=NN1C(=O)c2ccccc2C1=O)CC1CCCCC1 758069290 UONDIAMWUMWKHG-ZDUSSCGKSA-N 298.386 3.875 30 20 CHED C[C@H]1CCC[C@H](Nc2c(F)cc(C#N)cc2F)C1 111143087 QLIJIXIWXJSHTR-ONGXEEELSA-N 250.292 3.827 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CCCCCc1cccs1 109083863 IEXPRRQFEZGCGV-INIZCTEOSA-N 292.448 3.905 30 20 CHED CCCC[C@@H](CC)CNC(=O)CCc1ccc(C#N)cc1 53674974 QIXPHNVYXAITPM-OAHLLOKOSA-N 286.419 3.823 30 20 CHED COc1ccccc1C(C)(C)NCc1cc(C#N)cs1 177695822 BPAWSUXMPAGZNR-UHFFFAOYSA-N 286.400 3.653 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCCCC#N 170886993 YPRFCLWIRUZEPV-CYBMUJFWSA-N 299.374 3.829 30 20 CHED C[C@H](NCc1cccc(OCCCC#N)c1)c1ccccn1 171246076 OLZGUWPYNRXZRY-HNNXBMFYSA-N 295.386 3.615 30 20 CHED Cc1ccc(C)c(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1 172027777 NSEKOEQMLNSDQV-INIZCTEOSA-N 298.773 3.952 30 20 CHED C=CC[C@H](C)NC(=O)NCc1oc2ccc(F)cc2c1C 172063883 CGMCEJAXEWNSLK-JTQLQIEISA-N 290.338 3.644 30 20 CHED N#Cc1cnc2ccccc2c1NCCOc1ccccc1 301095215 GNQNSAABDNZXSO-UHFFFAOYSA-N 289.338 3.597 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1Sc1ccccc1 468250390 MMUSGEWREMUCTI-GFCCVEGCSA-N 282.368 3.936 30 20 CHED C=C(Cl)CSc1ncccc1Br 303770808 MUWFPHVDTVIESQ-UHFFFAOYSA-N 264.575 3.689 30 20 CHED C=CCN(CCc1ccccc1)Cc1cc(C#N)ccc1F 65959630 XXTQAMQFRWSQKG-UHFFFAOYSA-N 294.373 3.928 30 20 CHED C#CCCCNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 175598554 CIJMXRJCIYSHMH-GOSISDBHSA-N 296.414 3.651 30 20 CHED N#Cc1cc(F)ccc1COc1cc(F)ccc1F 171511929 YIRQHSGHXPRPKG-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(C#N)c1 301301271 RGXGUZJJAJCWRO-LLVKDONJSA-N 292.298 3.511 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)C1CCCCC1 175322633 AAWWMJWKUYZSGY-VOTSOKGWSA-N 266.287 3.833 30 20 CHED CC(C)CCC1CCN(C(=O)NCCCCC#N)CC1 177192014 UGDRNEHSWCKURP-UHFFFAOYSA-N 279.428 3.538 30 20 CHED CCc1ccccc1CNC(=O)Nc1cc(C#N)ccc1C 172567443 CEBUWYKYKIINKY-UHFFFAOYSA-N 293.370 3.751 30 20 CHED CC#CCCCC(=O)Nc1ccc(Cl)cc1OCC 185845943 NWXWNCCJLWAHCB-UHFFFAOYSA-N 279.767 3.871 30 20 CHED N#Cc1cccc(CNCCCCOc2ccc(F)cc2)c1 75779408 SVVXABUBDMBVPH-UHFFFAOYSA-N 298.361 3.646 30 20 CHED COC(=O)c1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 37251455 NSVRJEGZCLKJCB-LBPRGKRZSA-N 280.327 3.518 30 20 CHED CC(C)C[C@@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl 185553023 KNDKAOINKZCGRW-BXUZGUMPSA-N 278.783 3.703 30 20 CHED C=CCC[C@@H](NCCCc1nc(C)cs1)C1CC1 120859507 AUWSJQXQPPJWRV-CQSZACIVSA-N 264.438 3.719 30 20 CHED CC[C@@H](C#N)Sc1nc(C)cc(C(F)(F)F)c1C#N 127253911 RIGFUWZNDMAEOZ-QMMMGPOBSA-N 285.294 3.675 30 20 CHED C=CCCNc1cc(NC(=O)C(C)(C)C)ccc1C 77246095 FCJBALFFMWYJHS-UHFFFAOYSA-N 260.381 3.968 30 20 CHED CSc1ccccc1N(C)C(=O)c1cccc(C#N)c1C 509367623 YEHUKCVMEYWKGB-UHFFFAOYSA-N 296.395 3.865 30 20 CHED CN(CCCCC#N)Cc1ccc(Cl)c(F)c1 127718303 OETZXHLTDKNYMN-UHFFFAOYSA-N 254.736 3.605 30 20 CHED Cc1nc(C(=O)Nc2ccccc2C(C)(C)C)ccc1C#N 31874319 VTCZVJJFZIZYAG-UHFFFAOYSA-N 293.370 3.812 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc(C)c(Cl)cc1C 410836459 RSOIPPYCUATQBO-GFCCVEGCSA-N 278.783 3.721 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 180783776 RZDXOUQOIRDXKM-CKEIUWERSA-N 296.414 3.796 30 20 CHED C=C(C)CN(C)C(=O)NCc1c(OC)ccc2ccccc12 180371139 CWNNXMOYHFDSTR-UHFFFAOYSA-N 298.386 3.566 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 181140015 UROUVKFATQWRDC-JTQLQIEISA-N 284.762 3.758 30 20 CHED N#Cc1ccnc(SCC(=O)c2cccc(Cl)c2)c1 125687733 GQRVEMJBSGNPPI-UHFFFAOYSA-N 288.759 3.582 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](C)NC1CCC(Oc2ccccc2C#N)CC1 414069062 BMKIFUAMRKJFIY-OCLKOUHBSA-N 298.430 3.882 30 20 CHED C=C[C@H](CC(=O)NC[C@@]1(C)CCCS1)c1ccccc1 127528747 DPOQYONWGKMVGZ-RHSMWYFYSA-N 289.444 3.748 30 20 CHED C=CCCC(=O)N[C@H](C(=C)C)c1ccc(F)c(F)c1 186035098 RYTGDJCRWLNGAB-OAHLLOKOSA-N 265.303 3.664 30 20 CHED CC[C@H](C#N)Sc1nccn1-c1cccc(Cl)c1 127248740 CDESUOCGJKNVEX-GFCCVEGCSA-N 277.780 3.920 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)s1 412822891 MFUGFJUSPJPMKR-VXGBXAGGSA-N 276.405 3.564 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1scnc1C)C2 78694362 OCIWFHWMIFLPIS-KPKJPENVSA-N 255.342 3.582 30 20 CHED Cc1cccc(NC(=O)N(CCC#N)Cc2ccco2)c1 72592394 ZPGLALJKDACACH-UHFFFAOYSA-N 283.331 3.536 30 20 CHED Cc1ccc(-c2cncc(C(=O)O[C@@H](C#N)C(C)C)c2)cc1 124978289 PACVCAKCVLFFDI-KRWDZBQOSA-N 294.354 3.762 30 20 CHED C/C=C/C=C/C(=O)Nc1ccccc1SCCC#N 78568623 IZDOXKZWKQHXJG-KHVHPYDTSA-N 272.373 3.763 30 20 CHED C=CCSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 127215463 MGZGOATYGKAGMA-ZYHUDNBSSA-N 251.399 3.616 30 20 CHED CC[C@H](C(=O)N1CCc2cc(C#N)ccc21)c1ccccc1 416022226 QEKFHLFIWFYHAG-KRWDZBQOSA-N 290.366 3.641 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2n[nH]cc2c1 507272323 LCKNYBPVJLKCSZ-OLZOCXBDSA-N 290.370 3.846 30 20 CHED N#CCCN(Cc1ccc2ccccc2c1)CC1CC1 174691560 LIGWETMWUVPWFN-UHFFFAOYSA-N 264.372 3.965 30 20 CHED CN(CCCC(C)(C)C#N)[C@H]1CCc2ccccc2C1 174863024 XSVBXYVJLINMQJ-KRWDZBQOSA-N 270.420 3.806 30 20 CHED C=CCSCCNC(=O)Nc1ccccc1CSC 184738122 DQCCGUSBPSXWIW-UHFFFAOYSA-N 296.461 3.590 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](CC)c1ccc(OC)cc1 130385089 SFHYBLPVBUSGGX-HNNXBMFYSA-N 287.403 3.780 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C 410670119 DNURCPWMEBTIFJ-WWGRRREGSA-N 264.413 3.647 30 20 CHED CCCOc1ccc(CNc2ncc(C#N)cc2F)c(C)c1 413262000 TYETUUVWPUJGOY-UHFFFAOYSA-N 299.349 3.802 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccccc2CC#N)C[C@H]1C 410828536 NUBNMWRTJQYAGP-NFAWXSAZSA-N 270.376 3.763 30 20 CHED C=C[C@H](CC(=O)Nc1ccncc1C)c1ccccc1 131704460 ZYXYONBZULILPJ-CQSZACIVSA-N 266.344 3.688 30 20 CHED N#Cc1cccc(C#N)c1NCc1ccc2ncccc2c1 193005794 JKISGKMBAVJTAG-UHFFFAOYSA-N 284.322 3.590 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@H]1CCCCS1 329298379 UIAJEUPKKTVGCZ-NQBHXWOUSA-N 298.452 3.762 30 20 CHED Cc1nc2cc(N=C(O)[C@@H]3CCC(=O)[C@@H](C)C3)ccc2o1 328910703 FUAQLKUCJWMMEJ-GXSJLCMTSA-N 286.331 3.730 30 20 CHED Cc1nc(Nc2ccc(C(C)(C)C#N)cc2)ccc1[N+](=O)[O-] 132975157 BTAPWWBDXGTMMW-UHFFFAOYSA-N 296.330 3.843 30 20 CHED CCc1c(C)sc(NC(=O)C2(C)CCC2)c1C#N 427660495 SVDUDADJGFPHQK-UHFFFAOYSA-N 262.378 3.619 30 20 CHED C[C@H](CCc1ccccc1)NCc1ccc(OCC#N)cc1 194883658 YDDFYUYGPKWKFB-MRXNPFEDSA-N 294.398 3.700 30 20 CHED Cn1ccc2ccc(NCCOc3ccc(C#N)cc3)cc21 190602661 REJWWERUHQMWBC-UHFFFAOYSA-N 291.354 3.541 30 20 CHED C=CCNC(=O)NCC1(c2cccc(Cl)c2)CCCC1 48979441 SYZDJYDSUBDHHX-UHFFFAOYSA-N 292.810 3.637 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1ccccc1OC(C)C 44165828 XBIKOLICGFSTRC-CYBMUJFWSA-N 292.448 3.575 30 20 CHED C[C@]1(Cc2cccc(F)c2)CCCN1c1ccc(C#N)cn1 519546798 VVIDENWPSACBMX-GOSISDBHSA-N 295.361 3.694 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cnc2ccsc2c1 424328843 OWQAPSTYTXPWAG-NTZNESFSSA-N 271.389 3.639 30 20 CHED C=CCOCC(=O)N[C@H](CC1CCCC1)c1ccccc1 337630420 VCKQPKLNKACCBP-QGZVFWFLSA-N 287.403 3.627 30 20 CHED CN(C(=O)c1cccc(C(F)F)c1)c1ccc(C#N)cc1 336166083 CAKMVPLMZDXFAS-UHFFFAOYSA-N 286.281 3.772 30 20 CHED CCC[C@H](C)CC(=O)Nc1sc2c(c1C#N)CCC2 195210632 QTIUNNFUNCWHKM-JTQLQIEISA-N 276.405 3.873 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 516213456 ADEJXNGUBRBUED-HEHGZKQESA-N 271.360 3.626 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)o1 336614277 PGEKEELTTPXRPH-UKRRQHHQSA-N 294.354 3.560 30 20 CHED CSc1ccsc1/C(O)=N/C1CCC(C(=N)O)CC1 330385851 UFOFRTQAXHIIDP-UHFFFAOYSA-N 298.433 3.869 30 20 CHED C=CCC[C@@H](C(=O)N(CC=C)CC=C)c1ccccc1 193123820 XZKUHGRXGNOKCF-QGZVFWFLSA-N 269.388 3.937 30 20 CHED CCC(CC)/N=C(/O)Nc1cnn([C@@H](C)CC)c1C 331113795 JMHKRRFQTHHAQM-JTQLQIEISA-N 266.389 3.677 30 20 CHED Cc1noc(C)c1CN[C@H]1CCCCc2cc(C#N)ccc21 336545152 MJSDIZSPZHAHGN-SFHVURJKSA-N 295.386 3.720 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](CC)CNc1ccccc1 425312412 JXXLWXDZHIWJTC-AWEZNQCLSA-N 274.408 3.596 30 20 CHED CC[C@@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 425935803 JYBPLAGWOWJEFO-KANFNMMFSA-N 298.430 3.540 30 20 CHED CC1CCC(/N=C(/O)[C@H](C)S[C@@H]2CCCN=C2O)CC1 330187227 KGXCTLHBFPQOEQ-PYNQCMFNSA-N 298.452 3.762 30 20 CHED C=CCC1(c2nc(Cc3cccs3)no2)CCC1 517621703 WCNHHDQXMVNHAK-UHFFFAOYSA-N 260.362 3.720 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](C#N)C(C)C)cc1 429085355 QKMGEVJLDVGKET-YOEHRIQHSA-N 286.419 3.653 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC2(CCCC2)CC1 432592057 HZABRNIUMZRXCM-UHFFFAOYSA-N 278.440 3.955 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 437776066 NHKPARXXWTURSF-DFAYQTQMSA-N 299.201 3.723 30 20 CHED C[C@H](OCCCN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 248777816 HSKWNKPVFVYGNR-JZXOWHBKSA-N 286.419 3.826 30 20 CHED CCc1nc(CCN[C@@H](C)c2cccc(C#N)c2)sc1C 344163243 HHEDDHPXVBDSGR-LBPRGKRZSA-N 299.443 3.779 30 20 CHED Cc1c(Nc2ncc(C#N)cc2Cl)cnn1CC(C)C 346698086 JENQYHPHSXCMLI-UHFFFAOYSA-N 289.770 3.511 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2cc(C#N)ccn2)C1 342210555 FBJRFIBFVKXMOQ-GOSISDBHSA-N 277.371 3.511 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)c1ccc(C#N)cc1 345150633 MWCKKYVDFFMPAA-GFCCVEGCSA-N 277.327 3.612 30 20 CHED CC[C@H](Cc1ccc(F)cc1)NC[C@H](C)CCC#N 602704046 BBFYBKVWJWNXSD-CZUORRHYSA-N 262.372 3.676 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc2c(Cl)cccc2s1 609143275 TXRFZMCLTJATFM-VIFPVBQESA-N 292.791 3.929 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccnc1 348543196 GKRNYYYTAHJWCL-UHFFFAOYSA-N 281.359 3.692 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccccc1C)C(C)C 522635214 AMLJKGGLZRTKDT-HOCLYGCPSA-N 274.408 3.956 30 20 CHED C[C@H](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccco1 529509320 YAEKMWUZORSUGL-ZIAGYGMSSA-N 296.370 3.864 30 20 CHED COc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cccc(C#N)c1 601267010 SQTOKBXXTUXOLV-DJJJIMSYSA-N 292.382 3.905 30 20 CHED CCC(CC)(CC)CNC(=O)C1(c2cccc(C#N)c2)CC1 435269219 QRBIUZCQQIGPRK-UHFFFAOYSA-N 298.430 3.922 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1sc(CCOC)nc1C 343513483 WDFJPOBYGIOMQC-DGCLKSJQSA-N 282.453 3.646 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(O)cc2Cl)no1 528170177 XKWVPJUPFNMMKG-UHFFFAOYSA-N 291.738 3.677 30 20 CHED Cc1cc(CNc2nccc(C)c2C#N)ccc1Cl 347873987 GGZYPDOALIZHCZ-UHFFFAOYSA-N 271.751 3.836 30 20 CHED c1ccc2c(c1)CCCC2=NNc1nncc2ccccc12 254701500 CIZOAKMUVJCGJT-UHFFFAOYSA-N 288.354 3.782 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1 341752865 YZDNBNSRPMQVMC-GOSISDBHSA-N 262.356 3.725 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCc3cccc(C(F)(F)F)c3C2)C1 528796186 KSHZKESOSSTCOA-DGCLKSJQSA-N 294.320 3.756 30 20 CHED CCc1cccc(CNc2ccc(C#N)cc2OC)c1 527289087 HYTGFJZJDHVCNX-UHFFFAOYSA-N 266.344 3.741 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCCN(C2CCCCC2)C1=O 443090342 BOYWMOHSBMKFBJ-ZOBUZTSGSA-N 292.467 3.500 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cc(F)c(F)c(F)c1 255035045 VVVZGVSFXKAEIW-IHWYPQMZSA-N 266.218 3.901 30 20 CHED Cc1cc(Cn2ccc(-c3ccsc3)n2)ccc1C#N 447325060 ONHUPXQZOUAPSA-UHFFFAOYSA-N 279.368 3.840 30 20 CHED Cc1cccc(C(=O)/C=C\c2cnc3c(C)cccn23)c1 255333162 YZOAOQQFOFWAHU-HJWRWDBZSA-N 276.339 3.847 30 20 CHED C/C=C\c1ccc(OC(=O)c2cc(C#N)cs2)c(OC)c1 255030155 YSYOYYQDHKVDEU-ARJAWSKDSA-N 299.351 3.881 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1c1cccc(F)c1 602440207 OWXBKBUJUZRFDF-CJNGLKHVSA-N 260.356 3.902 30 20 CHED COc1cc2ccccc2cc1CN(C)[C@H](C)CC#N 449021095 BQINDUWIADZCJW-CYBMUJFWSA-N 268.360 3.582 30 20 CHED CC(C)[C@@H](NCCOc1cccc(C#N)c1)c1ccccc1 533224323 AYGGWEGMFYRHPM-LJQANCHMSA-N 294.398 3.924 30 20 CHED C=CC[C@H]1N(CCc2cccnc2)CCCC1(C)C 444778967 KGEQVGXJWCXBDF-MRXNPFEDSA-N 258.409 3.691 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(F)c1Cl 538326272 KQVNGONEIKGYAR-SNVBAGLBSA-N 269.747 3.954 30 20 CHED C=C1CCN(Cc2nc(-c3ccccc3)cs2)CC1 353329290 KZOVBGURHURWHI-UHFFFAOYSA-N 270.401 3.962 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)c1ccsc1 352590569 MWXDPIUMHJKCIL-ZDUSSCGKSA-N 289.400 3.702 30 20 CHED C=C(C)[C@H](CC(=O)N(CCCC)[C@@H](C)CC)OCC 533710264 MDCWRKMVELFTQV-GJZGRUSLSA-N 269.429 3.785 30 20 CHED CCCN1Cc2cccc(/N=C/c3cccc(O)c3O)c2C1 263832580 CDPHTQMXZDPWEA-VXLYETTFSA-N 296.370 3.574 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(CS(C)(=O)=O)cc1 449039043 APIIADBUROTLCC-CQSZACIVSA-N 295.448 3.778 30 20 CHED CC(C)(C)c1ccc(C(=O)NCCCC#N)cc1Cl 355236448 LJZLKXDPGZAFPO-UHFFFAOYSA-N 278.783 3.671 30 20 CHED C=CCCCC(=O)N[C@H]1CCCc2ccc(F)cc21 357411706 ITPNWVHMPYIXBG-HNNXBMFYSA-N 261.340 3.676 30 20 CHED CC(C)[C@@H](C#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 266920799 LCMPJNYEUOUHEE-NOZJJQNGSA-N 299.201 3.761 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 448898689 VVQDAAHPYZYGTO-CZUORRHYSA-N 287.407 3.530 30 20 CHED CC(C)CC(=NNc1ccccc1)c1ccccn1 263610035 VSUOVFCLAPWVJG-UHFFFAOYSA-N 253.349 3.944 30 20 CHED C=C(CNC(=O)Nc1ccc(Cl)cn1)c1ccccc1 351196830 BWKLZVINPYFBLA-UHFFFAOYSA-N 287.750 3.570 30 20 CHED C=CCCC1(C(=O)N(C)Cc2cc(C)ccc2F)CC1 357102225 BINKNMIEPAZFGE-UHFFFAOYSA-N 275.367 3.839 30 20 CHED N#C[C@H](NC(=O)C[C@H]1CCc2ccccc21)C1CCCCC1 610502354 WJQYSBVPERECJG-AEFFLSMTSA-N 296.414 3.695 30 20 CHED CCCn1ccc2ccc(NC(=O)N(CC)CCC#N)cc21 267452216 IQYRXVWKRKSGHR-UHFFFAOYSA-N 298.390 3.819 30 20 CHED C[C@@H](NC[C@H](C1CCCCC1)N(C)C)c1ccc(C#N)cc1 539498416 OQGQGIJRMUQETG-DNVCBOLYSA-N 299.462 3.719 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C(C)C 352769604 NSISKRPNOXQWGV-UHFFFAOYSA-N 282.334 3.778 30 20 CHED Cc1cccc(NC(=O)NCC(C)(C)CCC#N)c1F 350817434 ZKSDVPSARQXCCI-UHFFFAOYSA-N 277.343 3.586 30 20 CHED CC[C@@H]1C[C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)n1 443512337 VVLZXQMOSTYQCY-NXEZZACHSA-N 283.297 3.597 30 20 CHED C=CCCCCCSc1nc(C)nc(C)c1C#N 447295061 IXYFMRSMCHJVPW-UHFFFAOYSA-N 261.394 3.804 30 20 CHED C[C@@H](CNc1cccnc1C#N)Sc1ccccc1 357523119 GVKMLPMVDBDLMT-LBPRGKRZSA-N 269.373 3.546 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2cccnc21 619611415 MHUWONTVAGBNQT-MSOLQXFVSA-N 289.382 3.608 30 20 CHED CCCCOc1cccc(NC(=O)NCC(C)(C)C#N)c1 611620505 PQSHKXIGIXMNRB-UHFFFAOYSA-N 289.379 3.537 30 20 CHED CCc1nc([C@H](C)Nc2ncc(C#N)cc2Cl)cs1 264758336 NFTWPWSQQQNHAZ-QMMMGPOBSA-N 292.795 3.799 30 20 CHED CC(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N 264511956 IYLQTMMVEPBDRP-LBPRGKRZSA-N 276.405 3.923 30 20 CHED CC(C)[C@H]1CCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 269618269 OXPBAAVJOLJTEF-DLBZAZTESA-N 299.418 3.861 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCCC[C@H](SC)C1 458810039 LVXQQWKQLJBPRF-ZDUSSCGKSA-N 284.469 3.516 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@@H](OC)c1ccc(OC)cc1 536844440 IJVBZAZGWXKQCB-OIPACUDHSA-N 291.435 3.962 30 20 CHED CCOc1ccccc1[C@H](C)NCc1ccc(C#N)cc1F 268855310 GPTRPAQCXKXRNR-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED COCCCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 363578144 ZGGRAVVOWGSZOI-QZTJIDSGSA-N 286.419 3.575 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)C2(C#N)CCCCC2)C1 457002056 MNSXANIMDJADIS-SOUVJXGZSA-N 276.424 3.791 30 20 CHED CC(C)(C#N)CCN[C@@H](Cc1ccccc1)C1CC1 273228110 CYVWXMNKSRPWNN-INIZCTEOSA-N 256.393 3.537 30 20 CHED CC/C=C/CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 455312229 YQJFRKUTTABCSR-AATRIKPKSA-N 299.418 3.692 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 459003664 OVADGBLPYCPHOK-UHFFFAOYSA-N 286.419 3.944 30 20 CHED C[C@H](C[C@@H](O)c1ccccc1)N[C@H](C)c1ccc(C#N)cc1 271833363 FIBHFKWOTCRLEO-SPYBWZPUSA-N 294.398 3.721 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc(Cl)ccc1Cl 278243996 LSCBZZQUSMRNLC-UHFFFAOYSA-N 271.147 3.872 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(C)o1 613291287 ZRIYRYHOMWMOGB-OAHLLOKOSA-N 290.322 3.935 30 20 CHED C[C@H](CCN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 274209152 MZHBSBRGNQODRM-HLLBOEOZSA-N 256.393 3.852 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCC(C)(C)CC#N 459264356 YYZQUWFSFCTTJB-GDBMZVCRSA-N 299.418 3.514 30 20 CHED Cc1ccc2c(c1)CN(c1ccc(C#N)cc1F)C2 360274162 KINKVGWXIZLEOQ-UHFFFAOYSA-N 252.292 3.526 30 20 CHED C=CCN(C(=O)Cc1scnc1-c1ccccc1)C1CC1 450591687 XYFFXATUSMZTHC-UHFFFAOYSA-N 298.411 3.530 30 20 CHED C[C@H](NC(=O)c1ccc(F)c(C#N)c1)[C@H](C)c1ccccc1 547764306 CTYHIYWPYGCQST-STQMWFEESA-N 296.345 3.619 30 20 CHED CCN(Cc1ccc(OC)cn1)[C@@H](C)c1ccc(C#N)cc1 271782897 HFCPWWLOLSUVOP-AWEZNQCLSA-N 295.386 3.545 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1c(F)cccc1Cl 276305834 KXXPQDGCWQVEJC-ZJUUUORDSA-N 254.736 3.822 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)c2ccccc2n1 272424741 OTVKSGFXJHFUMW-GOSISDBHSA-N 295.386 3.601 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C1CC1 455280529 ITEYESJRIBUWBY-CQSZACIVSA-N 299.418 3.524 30 20 CHED CCc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 276158791 CZWFTCMFVDYAPM-AWEZNQCLSA-N 264.372 3.971 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1nc(C2CCC2)cs1 277551533 JKHXTIOHQUEAKX-OAHLLOKOSA-N 294.420 3.578 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCCC1CCOCC1 541762119 HGVDXNDDHWZRBZ-UHFFFAOYSA-N 294.439 3.562 30 20 CHED N#CC1(CN[C@@H]2CCC[C@H]2Cc2ccccc2)CCC1 450823398 UPBOSYNKWSKCLI-DLBZAZTESA-N 268.404 3.681 30 20 CHED CC(C)(C)[C@@H](NCc1ccccc1C#N)C(F)(F)F 540917407 JVLCNOVMXDXHSW-GFCCVEGCSA-N 270.298 3.625 30 20 CHED Cc1cc(C)c(CN2CCC(CC#N)CC2)cc1C 541919732 UWZVPPAIENHORJ-UHFFFAOYSA-N 256.393 3.738 30 20 CHED CC(C)CCN(CCC#N)[C@H](C)Cc1ccsc1 544006643 VDATXWBKAHVRQX-CQSZACIVSA-N 264.438 3.941 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 540567081 WKQNXAVZZQKEEI-HNONPPJISA-N 298.430 3.759 30 20 CHED COC1(C)CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 274751911 PLBIAZDJZHKXLT-UHFFFAOYSA-N 298.308 3.582 30 20 CHED C[C@H](C(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 461896052 VULOZILIRPOUHM-KEYYUXOJSA-N 284.403 3.699 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 465649789 DLGBTOGLTNPADN-MELADBBJSA-N 287.407 3.743 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 467933971 SMKJBZQISJSGKY-DLPJJRSVSA-N 261.409 3.530 30 20 CHED CCc1ccc(CN(C(=O)CC(C)(C)C#N)C2CC2)cc1 278545909 NQUWWGPBYHXPIU-UHFFFAOYSA-N 284.403 3.680 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(SC)cc1 466493634 WXJCZNIFFSYPCG-LBPRGKRZSA-N 278.421 3.687 30 20 CHED CCC[C@@H](C#N)NC(=O)CCCc1ccc2ccccc2c1 540494582 DYYJTXPIXAVFTN-SFHVURJKSA-N 294.398 3.971 30 20 CHED C=CCCCCCCNC(=O)N[C@H](C)c1ccccn1 286797445 UPIJHKWLCLUAOE-CQSZACIVSA-N 275.396 3.578 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Cl)ccc1NCC 467691973 QSUYUJKXLJRTKN-GFCCVEGCSA-N 280.799 3.856 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(C2CCOCC2)cs1 286186199 AEEDNURETVHPQS-HNNXBMFYSA-N 294.420 3.578 30 20 CHED C[C@@H](C[C@@H]1CCCO1)Nc1c(Cl)cccc1C#N 462816184 ZXXRRGPQFSHQEB-JQWIXIFHSA-N 264.756 3.581 30 20 CHED C[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 461735606 ICYYMHCOLOXUTL-LYHUEXMXSA-N 296.414 3.603 30 20 CHED CCOC1CC2(CCN(c3ccc(Cl)cc3C#N)C2)C1 286479537 UWEQNNDWMXKKSP-UHFFFAOYSA-N 290.794 3.607 30 20 CHED C=C[C@H](Cc1nc(-c2ccc(F)cn2)no1)c1ccccc1 460647314 MPDUQOZOZRSVEP-GFCCVEGCSA-N 295.317 3.783 30 20 CHED Cc1nc2ccccc2n1C1CCN(CCCCC#N)CC1 280194709 IJVIVOHUWLVGAJ-UHFFFAOYSA-N 296.418 3.676 30 20 CHED Cc1csc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1C#N 288884509 RSUMWIDKAVVAJQ-FZMZJTMJSA-N 262.378 3.549 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(C#N)cs2)C1 286337446 LURXSXOUTUWCJC-WFASDCNBSA-N 296.395 3.843 30 20 CHED Cc1csc(NC(=O)/C=C2\CC[C@H](C)C2)c1C#N 288875404 RBINPMCXQRWTBJ-CAXXOGMASA-N 260.362 3.613 30 20 CHED Cc1ccc([C@]2(C)CCN(c3snc(C)c3C#N)C2)cc1 553568025 VPKCIRWIJPADGM-QGZVFWFLSA-N 297.427 3.800 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 474033157 KYMRLRJRADOWKB-INIZCTEOSA-N 299.418 3.526 30 20 CHED CCc1nnc(Oc2cc(C)c(C#N)c(C)c2C)nc1CC 557761518 NCXYMLSNISQDCU-UHFFFAOYSA-N 296.374 3.586 30 20 CHED C=CCCOCc1nc(-c2ccc(Cl)cc2C)no1 632215595 LNZYFEQCMNLVJW-UHFFFAOYSA-N 278.739 3.791 30 20 CHED C=CCCCCNC(=O)NC1(c2ccc(Cl)cc2)CC1 473916088 NXORLUCSQJIWEV-UHFFFAOYSA-N 292.810 3.985 30 20 CHED C#C[C@H](NCc1occc1C)c1ccc(Cl)cc1F 809699748 SMQIMAWYLVHRSF-AWEZNQCLSA-N 277.726 3.845 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NCCO[C@H](C)C#N 801937413 MHZBSOGUPZOJBD-WBVHZDCISA-N 274.408 3.601 30 20 CHED C#Cc1ccc(CN[C@@H](COC)c2cccc(Cl)c2)cc1 809792931 LLJYVSFMBNFRPP-SFHVURJKSA-N 299.801 3.799 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 473327984 NYXHXWXURLTRKV-HRCADAONSA-N 297.402 3.957 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 294437628 GESZZULFSRRNGL-SWLSCSKDSA-N 293.382 3.620 30 20 CHED CCCN(CCc1cccs1)[C@@H](C)CCC#N 299209127 GOLWJLZGEFQDAD-ZDUSSCGKSA-N 250.411 3.695 30 20 CHED C[C@H](/N=C\c1c(O)ccc2ccccc12)C(F)(F)F 806552680 WQZISWZXUUMRIT-QNNPZSRPSA-N 267.250 3.915 30 20 CHED CC[C@H](NCCN(C)c1ccccc1)c1ccc(C#N)cc1 568353219 HMBSHOUQXFLSCH-IBGZPJMESA-N 293.414 3.735 30 20 CHED Cc1cccc(-c2cnc(NC(=O)CCCC#N)s2)c1 291424438 JARRBZBPLWCDEW-UHFFFAOYSA-N 285.372 3.751 30 20 CHED CC(C)CN(Cc1ccccc1F)C(=O)CCCC#N 291787618 XMEMLNHMXGNOSZ-UHFFFAOYSA-N 276.355 3.504 30 20 CHED CSC[C@@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297833205 QTJBHRGOORCEGR-SECBINFHSA-N 296.461 3.855 30 20 CHED CC(C)c1c(Cl)ncnc1NN=CCCC1CC1 807986430 IZPAETZXXOOGEP-UHFFFAOYSA-N 266.776 3.841 30 20 CHED CCCC[C@@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 800273491 FIFCXLICIJGWCO-OLZOCXBDSA-N 259.349 3.989 30 20 CHED C=CCOc1ccc(OCCCO[C@@H]2CCCCO2)cc1 568131246 UISLYWHVIAKFBB-QGZVFWFLSA-N 292.375 3.564 30 20 CHED C=CCOc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 560710626 HXGXNGSWORICFA-UHFFFAOYSA-N 295.382 3.798 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 292601727 KRLONSWIZACKSJ-CABCVRRESA-N 287.407 3.529 30 20 CHED CCCCCCCN1CC[C@H](N2CCCC2)[C@@H]1C 805766904 BVZLXNXCVLZRKD-HOTGVXAUSA-N 252.446 3.515 30 20 CHED C=C(Cl)CNCc1cccc(Cl)c1Br 719437726 ATPHUNWIZMJRKP-UHFFFAOYSA-N 295.007 3.945 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1c(C)cccc1CC 489432722 GTYNKWHDOYDFLI-INIZCTEOSA-N 286.419 3.536 30 20 CHED Cl/C=C\CON=Cc1cnc(C2CCC2)s1 811671076 MZYRLNAISBQIOS-WLWPVCBVSA-N 256.758 3.514 30 20 CHED Clc1ccc2c(c1)C(=NNc1ncccc1Cl)CO2 814810231 DKNKIWGMDHXQQF-UHFFFAOYSA-N 294.141 3.597 30 20 CHED Cc1sccc1C=NNc1ccc(Cl)c(C(=O)O)c1 814690121 UYMXLGYWVQDGLJ-UHFFFAOYSA-N 294.763 3.854 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNc2ccccc2F)cc1 812460776 ZTGOFRCHMGCRAH-UHFFFAOYSA-N 294.333 3.970 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(CSC)cc1 488860127 TZLKKAXTZCDFST-HNNXBMFYSA-N 275.417 3.730 30 20 CHED C=CCCC(=O)O[C@H](C)c1ccc(-n2cccn2)c(F)c1 816285296 QCNOHTREPKKBDN-GFCCVEGCSA-N 288.322 3.582 30 20 CHED CC(=NNc1ncnc2ccsc12)c1ccc(C)nc1C 814879235 AYFNQCWZPLQOEL-UHFFFAOYSA-N 297.387 3.539 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(C)nn(C)c2Cl)cc1 812487199 WDLWOTDTVDGIQW-HJWRWDBZSA-N 274.751 3.586 30 20 CHED C=CCSc1ccccc1C(=O)N(C)[C@@H]1CC1(C)C 489403241 GSPSAWZMKKJBFC-CQSZACIVSA-N 275.417 3.835 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(F)cc1O 812243681 RMNAHHRCRFDQER-KXFIGUGUSA-N 290.265 3.575 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)no1 488852421 HJDNPJJRQUXATA-HNNXBMFYSA-N 296.370 3.831 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)o1)C(C)(C)c1ccccc1 814117915 OKVJVJDTMVCTLW-INIZCTEOSA-N 296.370 3.637 30 20 CHED CCc1ccc(C=NNc2nnc(-c3ccccc3)s2)o1 814947410 QFOJXDUJSVMCGW-UHFFFAOYSA-N 298.371 3.807 30 20 CHED C=CCC(C)(C)C(=O)NCCCCCCSC 814123915 ZOHWDTUGVWZLIA-UHFFFAOYSA-N 257.443 3.628 30 20 CHED CC[C@H](NC(=O)N1CCC(CCC#N)CC1)C1CCCC1 578066211 JRXWYLAVQVEDJK-INIZCTEOSA-N 291.439 3.681 30 20 CHED Cc1cccc(C(=O)/C=C/c2c(C)nn(C)c2Cl)c1 812491551 WDAVTVRQXLZQHJ-BQYQJAHWSA-N 274.751 3.586 30 20 CHED C#CCC1(C(=O)N(CC)CC(C)(C)C)CCCCC1 813321899 OKAZRNBLBXGYCR-UHFFFAOYSA-N 263.425 3.855 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NOCCOC(C)C 812238509 XXIULMMUBNLRCX-ZDUSSCGKSA-N 261.365 3.648 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2C[C@@]2(C)CC)cc1 579855002 RKZHNJCKIAYQEN-XYJFISCASA-N 284.403 3.708 30 20 CHED C=CCC[C@H](O)CN[C@H]1CCCC[C@@H]1Cc1ccccc1 481184479 CIXCZTWUXNGXQV-QYZOEREBSA-N 287.447 3.705 30 20 CHED CC[C@@H](NCCOC1CCCC1)c1ccc(C#N)cc1 571251326 SLAYDRXHAJJQSB-QGZVFWFLSA-N 272.392 3.558 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)CC(C)(C)C#N 814373124 MTCOMPRANCPZMY-UHFFFAOYSA-N 281.743 3.543 30 20 CHED COCC(CC(C)C)=NNc1cc(Cl)nc(Cl)c1 819830966 HEHNFIPKUZOJIF-UHFFFAOYSA-N 290.194 3.849 30 20 CHED CC(=NNC1CCCC1)c1ccccc1OC(F)F 727652736 WXDBVXNZSYBLPB-UHFFFAOYSA-N 268.307 3.544 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(OC2CCC2)cc1 488877607 HRRHETGBFBUENL-HNNXBMFYSA-N 285.387 3.799 30 20 CHED CCC[C@@H]1CCCC[C@@H]1/N=C\c1ccc(O)c(O)c1O 728232947 YVHNQVNBXVFTOM-JYINORFOSA-N 277.364 3.581 30 20 CHED CCc1oc2ccccc2c1C=NNC1CCCC1 727652506 QCTMCWBHZPIZGC-UHFFFAOYSA-N 256.349 3.861 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)CCc2ccco2)c1 726445663 XIPOGXJMOGFFNL-ZDUSSCGKSA-N 298.411 3.569 30 20 CHED Fc1cc(F)cc(NN=C2CCCOc3ccccc32)c1 728429380 DXCBWIDVVRYFGK-UHFFFAOYSA-N 288.297 3.954 30 20 CHED CCCCCCCC(=O)OCc1nnc(C(C)C)o1 726998445 UQEOZDQOSZCTFH-UHFFFAOYSA-N 268.357 3.597 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cc(C)c(C)s2)cc1 584238793 ZFIMHHMKPYNGBX-OAHLLOKOSA-N 298.411 3.922 30 20 CHED C=CCC[C@H](NC(=O)NOCC1CCC1)c1ccccc1 824074495 QLHPLIFRJOXWQR-INIZCTEOSA-N 288.391 3.725 30 20 CHED C#CCOc1ccc(NC(=O)C[C@@H](C)CC(C)C)cc1 730981290 LYWNADJXGBVXTN-AWEZNQCLSA-N 273.376 3.709 30 20 CHED CC1(C)CCC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 589340606 KRCYOLQRXDKEQJ-JKSUJKDBSA-N 254.377 3.714 30 20 CHED COc1cc(C(=O)/C=C/c2ccc3ccccc3c2)on1 821022069 NRHIVTLZVOVBBF-VQHVLOKHSA-N 279.295 3.733 30 20 CHED C=CCN(C)C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 490051966 DNUFZWYDWGOCKJ-HNNXBMFYSA-N 295.382 3.765 30 20 CHED CCCCCCCC(=O)N(C)[C@H](C(=O)O)c1ccccc1 736983562 NWDURPBFKRCXPQ-INIZCTEOSA-N 291.391 3.631 30 20 CHED CSc1ccc(CN2CCC[C@@](C)(C#N)C2)s1 589511445 JYXCFORGPDFODX-ZDUSSCGKSA-N 266.435 3.596 30 20 CHED CC(=NNc1ccc(Cl)cc1C)c1cn(C)c(C)n1 905505596 AYOLYKSJLOELQO-UHFFFAOYSA-N 276.771 3.526 30 20 CHED Clc1nccnc1NN=C1CC[C@@H]2CCCC[C@H]2C1 733079541 MHAAUTZYKYONLA-QWRGUYRKSA-N 278.787 3.888 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccc(Cl)s2)c1 914558305 SNLFMALHKNVCBI-CHHVJCJISA-N 281.764 3.735 30 20 CHED CCc1cc(NC(=O)c2ccc(C#N)s2)ccc1F 586825926 SOBLJLSEZBVHEW-UHFFFAOYSA-N 274.320 3.574 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 836653002 DFAKHFNXPVNCIV-HNNXBMFYSA-N 294.345 3.778 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2nc(Cl)ccc2Cl)C1 839045406 ZKRKFTITWKSVPL-RKDXNWHRSA-N 299.157 3.628 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(Cl)c(C)c2)cn1 588410383 PHSJVSAARDFXSO-ALCCZGGFSA-N 274.751 3.761 30 20 CHED C=CCCCCCN(C)C(=O)/C=C/c1ccc(OC)cc1 739653773 FETOYKRZTXPZGA-SDNWHVSQSA-N 287.403 3.913 30 20 CHED CCC[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)C(C)C 839051521 DURAASSHMFNHKY-IHRRRGAJSA-N 251.370 3.684 30 20 CHED N#Cc1ccc([C@@H](Sc2ccc(F)cc2)C(=O)O)cc1 739116658 BNTMGZUNKTVGDN-CQSZACIVSA-N 287.315 3.615 30 20 CHED Cc1ccccc1C=NNc1cccc(C(F)(F)F)n1 739422316 VSAKRZMAVSUKSK-UHFFFAOYSA-N 279.265 3.855 30 20 CHED COc1ccc2cc(NC(=O)C#CC(C)(C)C)ccc2c1 837630337 INYDSVNQTRYZMA-UHFFFAOYSA-N 281.355 3.836 30 20 CHED N#CC1(CCN2CCC[C@H]2[C@H]2CCCOC2)CCCCC1 584348638 BVKYVCQWROKRRT-IRXDYDNUSA-N 290.451 3.742 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1 835077686 VSWICFMOZHRSAQ-FRRDWIJNSA-N 282.343 3.830 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](CN(C)C)C1 733367437 BTEPTVYCDYKMPC-MRXNPFEDSA-N 282.472 3.537 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC1CCCCCC1)CC2 584499627 UKIMIEHCCAMVNT-QGZVFWFLSA-N 254.377 3.858 30 20 CHED C=CC(C)(C)COC(=O)C[C@@H](C)c1c(C)noc1C 835724321 IRDPOZUCMYXDHX-SNVBAGLBSA-N 265.353 3.540 30 20 CHED N#CCCN(CC[C@@H]1CCc2ccccc21)CC1CC1 595334679 SZIDSEXSWMGGCD-KRWDZBQOSA-N 268.404 3.732 30 20 CHED CN(C(=O)c1ccc(C#N)cn1)C1CC(C)(C)CC(C)(C)C1 598096323 JEYQZESDVGNONX-UHFFFAOYSA-N 299.418 3.630 30 20 CHED C[C@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)C1CCC1 598885474 LDKOXOAUCKPJDM-ZDUSSCGKSA-N 282.387 3.880 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 596785342 ULTPVRYBEJGWQR-LBPRGKRZSA-N 287.338 3.517 30 20 CHED COc1cccc([C@H](C)/N=C/c2cccc(OC)c2O)c1 917558749 XGIDRARVEFTQPI-HWQJWEFDSA-N 285.343 3.590 30 20 CHED N#Cc1cccc(-c2ccc(SC3CCOCC3)nc2)c1 592987734 ADRUUKQWOYPUOS-UHFFFAOYSA-N 296.395 3.891 30 20 CHED Cc1ccc([C@@H](C)C(=O)N[C@](C)(C#N)C2CCCCC2)o1 742678681 HTEGYBHQMDHFLE-CXAGYDPISA-N 288.391 3.670 30 20 CHED C[C@H]1CCN(C(=O)CC2(C#N)CCCCC2)CC12CCC2 597464383 CADUSLRJMLOLJF-HNNXBMFYSA-N 288.435 3.889 30 20 CHED C=C(C)CON=C[C@H](C)Cc1ccc(OC)c(F)c1 844618156 JYEOLWYIEDSAHJ-GFCCVEGCSA-N 265.328 3.591 30 20 CHED N#Cc1ccc(CSCc2cc(C3CC3)no2)cc1 596400865 AQGGBONBHPWMSP-UHFFFAOYSA-N 270.357 3.857 30 20 CHED CCCC(C)=NNc1nc(-c2ccccn2)nc2c1CCC2 741813027 JLAYCFZRGMDACK-UHFFFAOYSA-N 295.390 3.615 30 20 CHED Cc1cc(C(=O)/C=C/c2cn(C)nc2C2CCCCC2)no1 844550895 PNWGKADSDSOYQY-CMDGGOBGSA-N 299.374 3.660 30 20 CHED CC(CCc1ccco1)=NNc1ccccc1[N+](=O)[O-] 917023165 LVTYEAVYUYTJTI-UHFFFAOYSA-N 273.292 3.608 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Cl)cc1SC 849271513 LXCIGKBMDLFYSV-UHFFFAOYSA-N 286.853 3.924 30 20 CHED CC#CCOC(=O)C1(c2ccccc2C)CCCCC1 744905308 LCOODOHFHWUHAG-UHFFFAOYSA-N 270.372 3.763 30 20 CHED CCC(CC)[C@H](CC/N=C\c1cc(OC)ccc1O)OC 746521244 GBYFPXYRUJFVIN-KMTKGMGQSA-N 293.407 3.661 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 591808931 MCBWAKDWFVLDHA-PYTWLRIVSA-N 282.387 3.514 30 20 CHED C[C@H](C#N)N(C(=O)CCc1ccc2ccccc2c1)C1CC1 598130558 DBMBMKHLPHEJTO-CQSZACIVSA-N 292.382 3.675 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(Cl)c(C)c(Cl)c1 844522103 KBSSOIZGKUPFQG-ZETCQYMHSA-N 289.162 3.929 30 20 CHED Clc1ccc([C@H]2CCCC(=NN[C@@H]3CCOC3)C2)cc1 841635689 OKKCJDDZZXKDTM-XJKSGUPXSA-N 292.810 3.732 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(C2CC2)[C@H](C)C#N)cc1 598128482 MBSKVKKUFONTPU-ZIAGYGMSSA-N 284.403 3.646 30 20 CHED C#CCN(C(=O)NC[C@H]1CCCC[C@@H]1C)C1CCCCC1 744857148 HTPRHXZOIVDLRT-JKSUJKDBSA-N 290.451 3.790 30 20 CHED CC(C)(C)c1ccc(C=NNc2ccc([N+](=O)[O-])cn2)cc1 915968875 IBCDCWRYNMBQTG-UHFFFAOYSA-N 298.346 3.733 30 20 CHED N#CC1(CC(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)CCCCC1 597787925 QXFNOFUJRHTBJN-HRCADAONSA-N 286.419 3.569 30 20 CHED CC(C)(C)O[C@@H]1C[C@@H](/N=C\c2ccccc2O)C12CCC2 849171580 AAMYVNQZJVCZCB-OJTJRJJXSA-N 287.403 3.937 30 20 CHED CCCCCCCC(=O)N1C[C@H](C)S[C@@H](C)C1 742772552 LMUYCGGTXXEOTR-STQMWFEESA-N 257.443 3.699 30 20 CHED CCN(CC)c1ccc(/C=N\[C@@H]2CS[C@H](C)C2)c(O)c1 840711876 SXCRGFIRWYZVRE-NAGLPPCWSA-N 292.448 3.551 30 20 CHED CCCCCCCCN1CCC[C@H]([C@@H]2C[C@H](N)CCO2)C1 846223352 PWOQLAAVNYMSPC-KSZLIROESA-N 296.499 3.565 30 20 CHED C#CCCCCC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 841454351 YFUVXCRMGDXUEJ-GJZGRUSLSA-N 263.425 3.853 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCCCCC#N 914619740 FAKFDUXPXHXSNR-BZUAXINKSA-N 295.423 3.701 30 20 CHED CC(C)c1ccc2c(c1)CN([C@H](C)CCC#N)CC2 595658299 RSHMWYMUBOSZCY-CQSZACIVSA-N 256.393 3.860 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CCCOc2ccccc21 749748724 LEFZPMKQQKZTPF-VUFYJBQKSA-N 297.354 3.734 30 20 CHED N#Cc1[nH]c(=NCc2cccc3ccccc23)sc1Cl 590579299 SVRPIIUUZJGRST-UHFFFAOYSA-N 299.786 3.855 30 20 CHED CCc1ccc(CNC(=O)/C=C\c2ccccc2C#N)s1 915604336 BEPSGSBJXKRUAF-YFHOEESVSA-N 296.395 3.512 30 20 CHED C=CCCSCCNC(=O)c1ccc2sccc2c1 597967579 ABIQDLMKYHLMOO-UHFFFAOYSA-N 291.441 3.940 30 20 CHED Cc1cccc(-n2cc(CN(CCC#N)C(C)C)c(C)n2)c1 593571602 VJUMXRQNMYZXJV-UHFFFAOYSA-N 296.418 3.613 30 20 CHED Oc1nc2ccccc2cc1/C=N/C1CC2(CCC2)C1 844272180 VZADENKGBHDAME-WOJGMQOQSA-N 266.344 3.692 30 20 CHED C[C@@H](NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 599614030 PRCNDMAEPGPZNF-VNVHMNPZSA-N 282.387 3.562 30 20 CHED O=C(O)Cc1ccc(NN=C2CCCCCCC2)cc1 848415259 KVJGYFVIOPWFHT-UHFFFAOYSA-N 274.364 3.826 30 20 CHED Cc1ccc(C)c(OC(=O)Cc2ccc(C#N)cc2)c1C 749786651 VLEGNIUSTIHXMP-UHFFFAOYSA-N 279.339 3.632 30 20 CHED CC(C)N(CCCOc1ccc(C#N)cc1)Cc1ccco1 746108757 ATEIEEXVWGSDGK-UHFFFAOYSA-N 298.386 3.831 30 20 CHED CC1(NCc2cc(C#N)ccc2Br)CC=CC1 922223457 JOMUXYWUTASYRU-UHFFFAOYSA-N 291.192 3.519 30 20 CHED CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@H](C#N)C1 928220223 GKRAXAGRBCWYNC-QGZVFWFLSA-N 298.430 3.798 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 746605476 XUCWWMRFZYUUTA-MRVPVSSYSA-N 292.593 3.966 30 20 CHED Cc1cccc(/C=C2\COc3c(F)cc(F)cc3C2=O)c1 920065978 GVBQFHGLWWSSNT-WUXMJOGZSA-N 286.277 3.932 30 20 CHED COc1cccc(C(C)=NNc2ccc(F)cc2C)c1 750938399 GWKCTHHKYVKIJV-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C=CCCN[C@H](C)c1cccc(C(F)(F)F)c1O 850501922 HTOPAIYPKPBHBE-SECBINFHSA-N 259.271 3.638 30 20 CHED Cc1ccc(NN=Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 853255561 GUJHEUCBUCKZCH-GOSISDBHSA-N 296.370 3.609 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 920789020 MZDKNIAPALORJH-MCIONIFRSA-N 295.386 3.956 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NCc1cc(C#N)ccc1F 754317080 JEUZDDLCORETOR-LBPRGKRZSA-N 290.382 3.776 30 20 CHED N#C[C@H](C(=O)C1CC2(CC2)C1)c1ccc2ccccc2n1 850741561 LQGUJBFWJCOHMV-AWEZNQCLSA-N 276.339 3.601 30 20 CHED C=C[C@@H]1CCCCN1c1ccc(OC(F)(F)F)cn1 683935809 DTWZPSZMWXEXRE-SNVBAGLBSA-N 272.270 3.525 30 20 CHED C#CCNC(=S)Nc1ccc(-c2ccccc2)cc1C 758192086 CHBPPFBQCSNXEC-UHFFFAOYSA-N 280.396 3.582 30 20 CHED CCCCCCCCCc1nc(-c2cncnc2)no1 858802930 OMZJIAVCEHLJIC-UHFFFAOYSA-N 274.368 3.820 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cc(-c2ccccc2)no1 925429781 IUYZRCICZYDVFE-OLZOCXBDSA-N 256.349 3.957 30 20 CHED CC(=NNc1nc(O)c2ccccc2n1)C1CCCCC1 757586752 XZEMWVCEFBDWBS-UHFFFAOYSA-N 284.363 3.704 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)Cc2c(F)cccc21 759076006 KDIFCKMECDPGJF-ALCCZGGFSA-N 279.723 3.758 30 20 CHED Cc1cc(CSCc2cnoc2C)ccc1C#N 853786118 CAHOVGABTUDPGF-UHFFFAOYSA-N 258.346 3.597 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1ccc(-c2csc(C)n2)cc1 854704334 QGNXRBQQCDPXPH-KRWDZBQOSA-N 298.411 3.650 30 20 CHED C=C[C@H](OC(=O)[C@H]1CCCCS1)c1ccccc1 851451126 CWERQIQZMMMVGH-UONOGXRCSA-N 262.374 3.743 30 20 CHED Cc1ncsc1/C=C\C(=O)c1cc(F)cc(F)c1 755704414 MKYMDSVLOVYAJS-IHWYPQMZSA-N 265.284 3.626 30 20 CHED CCCCON=Cc1cccc(OCc2ccncc2)c1 754278446 TYUMBMHCALVHJF-UHFFFAOYSA-N 284.359 3.811 30 20 CHED CC(=O)CCCCCCC(=O)N[C@]1(C#N)CCC[C@H](C)C1 754426875 MODYYLGOFUXRBQ-WMLDXEAASA-N 292.423 3.505 30 20 CHED CCCCCCCCNC(=O)NCc1ncccc1C 754863796 SRHIKBOELLRMLC-UHFFFAOYSA-N 277.412 3.550 30 20 CHED O=[N+]([O-])c1ccccc1NN=C[C@@H]1CCc2ccccc21 755465013 DYKZPLNGGAMOGY-ZDUSSCGKSA-N 281.315 3.723 30 20 CHED CC(=O)Nc1cccc(C(C)=NNc2ccc(F)cc2C)c1 750938067 AZTVBKMKJOFUDC-UHFFFAOYSA-N 299.349 3.929 30 20 CHED C=C1CCN(C(=O)Nc2ccc(-c3ccon3)cc2)CC1 933718447 MDKWYSPKTKQMHK-UHFFFAOYSA-N 283.331 3.526 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2c[nH]c3cccc(F)c23)c1 763337337 CQGARYJUVATYAM-UHFFFAOYSA-N 298.277 3.661 30 20 CHED CCCCCCCNc1cccc2c1CCN2C(C)=O 768806723 WSAPQKLHPNVVKL-UHFFFAOYSA-N 274.408 3.978 30 20 CHED FC(F)(F)c1sccc1C=NNCC1CCCC1 863113804 TVTCXYAAIJUOTK-UHFFFAOYSA-N 276.327 3.881 30 20 CHED Cc1ccc2c(c1)OCCCC2=NNc1ccc(F)cn1 763177169 VFTATLUBNVICTO-UHFFFAOYSA-N 285.322 3.518 30 20 CHED Cc1nc(C#N)c(NN=C2C[C@H](c3ccccc3)C2(C)C)o1 768484587 VBDBDYMSJMLKEA-CYBMUJFWSA-N 294.358 3.836 30 20 CHED Fc1cccc2[nH]cc(C=NNc3nc4ccccc4[nH]3)c12 763346950 VXXNNBZTPGCTBH-UHFFFAOYSA-N 293.305 3.629 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 934666550 RSBPDHQUMJBTOV-NFAWXSAZSA-N 293.432 3.639 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1cscn1 767893898 UVEABTAEASLJFC-UHFFFAOYSA-N 285.294 3.998 30 20 CHED C#CCCN(Cc1cccc(OC(C)C)c1)CC(F)(F)F 767901934 LDARKIIRLNQTGT-UHFFFAOYSA-N 299.336 3.861 30 20 CHED C#Cc1cccc(NC/C=C/c2ccccc2[N+](=O)[O-])c1 766444374 AIUUTJSNNGOJIR-RMKNXTFCSA-N 278.311 3.701 30 20 CHED C=CC[C@H]1N(C(=S)N[C@H](C)CC)CCCC1(C)C 766525962 STXVESURBJEPAE-CHWSQXEVSA-N 268.470 3.726 30 20 CHED Cc1cc(C)c(/C=C/C(=O)OCC2(C#N)CCC2)cc1C 768109664 JCRWEUYXOBYFNV-AATRIKPKSA-N 283.371 3.862 30 20 CHED CO[C@H](C)C(C)=NNc1ccnc2cc(Cl)ccc12 763115822 FHWKGVNPCBJYOT-SNVBAGLBSA-N 277.755 3.711 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)OCc1ccc(F)cc1C#N 769173941 CTYSXOUMHGDJIP-RYUDHWBXSA-N 275.323 3.567 30 20 CHED COc1cc(OC(=O)c2ccccc2SC)ccc1C#N 767159379 PPMCLKNVLUCYOG-UHFFFAOYSA-N 299.351 3.508 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1116425461 BFOUCLSINGUIJL-ZJUUUORDSA-N 284.762 3.804 30 20 CHED CCOCCON=Cc1ccccc1-c1ccccc1 774421082 DAVYTDJLMALVDQ-UHFFFAOYSA-N 269.344 3.741 30 20 CHED C[C@H](C=NOCCC(F)(F)F)c1ccc(F)cc1 777455874 NHKBAMGKLFKEMK-SECBINFHSA-N 263.234 3.884 30 20 CHED COc1cccc(NN=CC[C@H](C)c2ccccc2)n1 779816653 FAVUIUZJVADWDC-ZDUSSCGKSA-N 269.348 3.682 30 20 CHED CCCCCCCC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 771808395 IXJIOOBXFXFZIX-LSDHHAIUSA-N 269.429 3.667 30 20 CHED Cc1cccc(Cl)c1NC(=O)[C@@H](C)ON=C1CCC1 871733997 WALMYMRZBRYUAD-SNVBAGLBSA-N 280.755 3.532 30 20 CHED CCC(=NNc1nc2c(C)cccc2s1)c1nccn1C 872419597 NYJFKFUOHGIBKO-UHFFFAOYSA-N 299.403 3.564 30 20 CHED CC[C@H](NC[C@@H](C)CCC#N)c1ccccc1OC 876927478 DBGCYTVBBWQOMJ-ZFWWWQNUSA-N 260.381 3.676 30 20 CHED C#C[C@H](Cc1ccccc1)OC(=O)c1cc2ccsc2[nH]1 773836455 NXEONVRFXYRBHL-CQSZACIVSA-N 295.363 3.631 30 20 CHED CC(C)c1cccc(N(C)c2nnc(CCCC#N)n2C)c1 1121400576 GUJJBUXPCARGNC-UHFFFAOYSA-N 297.406 3.553 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc2[nH]ncc2c1 783866823 KPTKIOUIULGWSB-VXGBXAGGSA-N 256.353 3.787 30 20 CHED C=CCCOC(=O)C[C@H](C)c1c[nH]c2ccccc12 786337213 KBUDJXUGCJZWCB-LBPRGKRZSA-N 257.333 3.781 30 20 CHED N#Cc1ccc(OC(=O)CCCc2ccsc2)c(F)c1 783503571 CSHOHQHZRRNXHN-UHFFFAOYSA-N 289.331 3.687 30 20 CHED COc1ccc(C=NNc2ccccc2C(F)(F)F)cn1 780186517 JWGQYGQLFXDARU-UHFFFAOYSA-N 295.264 3.555 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CC[C@H](C)CC1 1356481692 NGJOJSYQMBMSQR-MQMHXKEQSA-N 287.407 3.880 30 20 CHED Cc1nc(-c2ccc(NC(=O)CC(C)(C)C#N)cc2)co1 782203633 SBOSVPKOJFZVMX-UHFFFAOYSA-N 283.331 3.528 30 20 CHED C#CCC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)C(C)C 787517929 ABWCGKCXGQKVTL-QGZVFWFLSA-N 285.431 3.667 30 20 CHED C=CCN(CC=C)CC(=O)Nc1c(C)cc(C)cc1Cl 72938963 QBUJKMYTMLDYFU-UHFFFAOYSA-N 292.810 3.569 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1cncc(F)c1 782340344 BBMNWFXPDSCDCN-DUXPYHPUSA-N 278.286 3.665 30 20 CHED CC(=NNc1nnc(-c2ccccn2)s1)C1CCCC1 788032217 PZXSPCRPYURKFU-UHFFFAOYSA-N 287.392 3.578 30 20 CHED CC(C)c1ncc(/C=C2/Cc3cc(O)ccc3C2=O)s1 780188858 ZOGZWVDQCKDUGB-XFFZJAGNSA-N 285.368 3.795 30 20 CHED FC(F)(F)c1ccc(CON=Cc2cccs2)nc1 783870262 JNNVPHJIKFIBOB-UHFFFAOYSA-N 286.278 3.713 30 20 CHED C=C[C@](C)(CC)C(=O)OCCC(Cl)(Cl)Cl 785754612 SOKVHIKVHJLMJL-SECBINFHSA-N 273.587 3.892 30 20 CHED N#Cc1ccc(C=NNc2ccc(C#N)c(Cl)c2)s1 783874621 BYBGCDSUVNTHPM-UHFFFAOYSA-N 286.747 3.591 30 20 CHED CC(C)(C)CCNN=Cc1ccc(N2CCCCC2)o1 782907763 OTFKONGQIRXUGW-UHFFFAOYSA-N 277.412 3.630 30 20 CHED C[C@@H](OC(=O)c1cnccc1Cl)c1cccc(C#N)c1 784495385 SCRKYGOJATVPPW-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C=C1CCC(C(=O)N2Cc3ccccc3O[C@H](C)C2)CC1 897831894 VFAPWXNOLMAMEF-CQSZACIVSA-N 285.387 3.543 30 20 CHED Cc1ccc(O)c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 787034700 TXVYWXWONRFVDK-FZKQIMNGSA-N 292.382 3.910 30 20 CHED Cc1cccc([C@H](C)OC(=O)C2(C#N)CC(C)C2)c1 784203624 VICDSBAKRUHQJJ-UYJPIKCFSA-N 257.333 3.539 30 20 CHED C=CCCCCCOC(=O)CC[C@@H]1CCCCO1 783623473 FNOXGVLBIMKTSX-AWEZNQCLSA-N 254.370 3.625 30 20 CHED COC(=O)c1ccccc1NN=C[C@H]1CCCC[C@H]1C 783860244 XFHCEZSCPVNMIM-CHWSQXEVSA-N 274.364 3.697 30 20 CHED N#Cc1ccccc1NCc1cc(F)c(F)cc1F 83451362 OUXWOYONEPNGOJ-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=C1CC(c2noc([C@@H](CC)CC(F)(F)F)n2)C1 896877428 QVYYXVNBNLYOJU-QMMMGPOBSA-N 260.259 3.949 30 20 CHED C=C1CCC(C(=O)Nc2cnn(CC(C)C)c2C)CC1 897277307 XVYRSUBWJPOXHL-UHFFFAOYSA-N 275.396 3.532 30 20 CHED CSCCON=C(C)CCc1ccc(F)cc1F 794936520 ADVMBLYDDPZDID-UHFFFAOYSA-N 273.348 3.653 30 20 CHED CCCC=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 793180978 VWTBYESWHUXSFZ-UHFFFAOYSA-N 275.230 3.811 30 20 CHED Cc1sc(CN2CCC[C@@H](C#N)C2)cc1Br 896502699 ZICGEBHYIXXOED-JTQLQIEISA-N 299.237 3.555 30 20 CHED C=C(Br)CN(C#N)c1cccc(Cl)c1 794572301 FHKXZWIGKIOCNS-UHFFFAOYSA-N 271.545 3.536 30 20 CHED C=C(C)CNC(=S)Nc1ccc(-c2ccncc2)c(C)c1 793260455 KIQZMEAAPDHIFF-UHFFFAOYSA-N 297.427 3.920 30 20 CHED CCn1c(C(C)=NN[C@H](C)C(C)(C)C)nc2ccccc21 793118042 ZSBLLUGUWHJZEB-CYBMUJFWSA-N 286.423 3.804 30 20 CHED N#Cc1cccc(C(=O)O[C@H]2CCCc3ccc(F)cc32)c1 797240061 FIEXTOFDRTXZIV-KRWDZBQOSA-N 295.313 3.932 30 20 CHED Cc1cccc(NC(=O)NCCc2ccc(C#N)cc2)c1C 1202707820 HNVUOTXHWXWNCX-UHFFFAOYSA-N 293.370 3.539 30 20 CHED Fc1cccc(NN=Cc2ccc(N3CCCCC3)cc2)n1 795010245 ZDPRIRBBOWLUAQ-UHFFFAOYSA-N 298.365 3.657 30 20 CHED COc1cccc(C(C)=NNc2cccc(Cl)n2)c1 793164539 WFUWKEAMFPKNQX-UHFFFAOYSA-N 275.739 3.580 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCCc3sccc32)n1 61364197 BHUCUHGZGSUHKS-CYBMUJFWSA-N 269.373 3.813 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@H]2c2ccccn2)cc1 794856568 JFAOJYYFULTOAD-AWEZNQCLSA-N 295.342 3.515 30 20 CHED CCC(CC)(CC)C(=O)Nc1ccc(C#N)c(F)c1 589800580 VTWGMJAOXNSZPG-UHFFFAOYSA-N 262.328 3.852 30 20 CHED CC[C@@H](C)NN=Cc1csc(-c2ccc(F)cc2)n1 790189803 QVHMQWRVDWQDBU-SNVBAGLBSA-N 277.368 3.671 30 20 CHED CC1(C)Cc2cc(/C=C\C(=O)c3ccnc(F)c3)ccc2O1 794722402 QDQXAIKWKQPVMS-HYXAFXHYSA-N 297.329 3.830 30 20 CHED CC(=NNc1ncccc1C)c1coc2ccccc12 790193839 OYTAWCJMGNETSZ-UHFFFAOYSA-N 265.316 3.972 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)[C@H](C#N)CC 593412760 QRHUPCQPEQZXCF-JTQLQIEISA-N 280.755 3.617 30 20 CHED CSc1ccccc1[C@@H](C)NCc1ccc(C#N)cn1 593986294 VVGRWPNSTKCTRF-GFCCVEGCSA-N 283.400 3.526 30 20 CHED CN(CCc1ccc(C#N)cc1)Cc1c(F)cccc1F 1307788617 SKIKQVNLRUZUAG-UHFFFAOYSA-N 286.325 3.511 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)NCC(C)(C)C#N 1323646456 GNYQEUUIRCIQRV-UHFFFAOYSA-N 279.771 3.628 30 20 CHED C[C@@H](C=NNc1ccc(C(C)(C)C)nn1)c1ccccc1 1318681511 LJQKBKSJEAGZPP-ZDUSSCGKSA-N 282.391 3.976 30 20 CHED C=C(C)CCc1noc(CSCc2csc(C)n2)n1 1323534428 XKMCDSCQTLDWHU-UHFFFAOYSA-N 295.433 3.777 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc(O)cc1OC 1321217616 HCXYHUBUJQKOFF-UHFFFAOYSA-N 284.359 3.718 30 20 CHED C=CCC1(c2nnc(COc3ccc(C#N)cc3)o2)CCC1 1326096074 QNBNKLJYJKHVOT-UHFFFAOYSA-N 295.342 3.518 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(N2CCCC2)cc1 1323519812 SSFYGHSDDZFYPV-ZZXKWVIFSA-N 275.355 3.724 30 20 CHED CN(C)c1ncccc1/C=C\C(=O)c1c[nH]c2ccccc12 1326689778 KOMHQWOQVJRPDE-KTKRTIGZSA-N 291.354 3.525 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 1321236346 AMOPRMJQPWJARC-XCRHUMRWSA-N 296.414 3.908 30 20 CHED C=C[C@H](COC)NCc1cccc(Oc2ccccc2)c1 1320425737 BISGIVYRTGBERP-MRXNPFEDSA-N 283.371 3.770 30 20 CHED C[C@@H](CC(=O)N[C@@H](C#N)C1CCCC1)c1cccc(F)c1 1335109023 BRZXQHLCJGQWRA-LRDDRELGSA-N 288.366 3.518 30 20 CHED Cc1c(C#N)cccc1C(=O)N1Cc2ccccc2[C@@H](C)C1 1332385893 WCEOVKGRPZJJLI-ZDUSSCGKSA-N 290.366 3.626 30 20 CHED Cc1cc(C#N)ccc1CSCc1ccc(F)cn1 1339453530 LBLRVNXPDMLTPI-UHFFFAOYSA-N 272.348 3.834 30 20 CHED N#Cc1cncnc1Oc1ccc(Cl)c(C(F)(F)F)c1 1184563814 LGYZQHMUWSUEKS-UHFFFAOYSA-N 299.639 3.813 30 20 CHED C=C(C)CCC(=O)Nc1ccc(N2CCCC2)c(F)c1 1337078650 LMBVKOUAKDPLML-UHFFFAOYSA-N 276.355 3.721 30 20 CHED Cc1ccc(C[C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 1255780215 LRYZDZVFZCPTOY-CQSZACIVSA-N 282.362 3.727 30 20 CHED C=C1CCC(C(=O)NCc2cc3cccc(OC)c3o2)CC1 1338187540 MLZDYVQAIGNTGA-UHFFFAOYSA-N 299.370 3.804 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)c1cccc(F)c1 1192101250 ZVXGKWRISYMREX-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)c1cccc(CC#N)n1 1342840843 GWINGHFBBQRTEE-LBPRGKRZSA-N 285.778 3.998 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)c1ccccc1C 1349733816 KDXWQTGVBNEHAT-UHFFFAOYSA-N 282.318 3.673 30 20 CHED COc1cccc([C@@H](C)C(=O)O[C@H](CC#N)c2ccco2)c1 1346720510 TUMHZHODQYWDNV-MLGOLLRUSA-N 299.326 3.590 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cccc(Cl)c2F)C1 1343923001 MFAJVXCAPTUZNJ-CMPLNLGQSA-N 266.747 3.651 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)OC2(CC#N)CCC2)cc1C 1348256927 PJUMANSCPWPERS-JKSUJKDBSA-N 283.371 3.787 30 20 CHED N#Cc1cccc(NC(=O)Cc2ccc(F)c(Cl)c2)c1 1349703618 IMNJITRWDRPTBG-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@](C)(CC)C(F)(F)F 1517812239 RZKNNFYSEIMFGG-DGCLKSJQSA-N 292.345 3.858 30 20 CHED CCSc1cccnc1C(=O)Nc1cccc(C#N)c1C 1516698649 BRWQPXACHLDRCG-UHFFFAOYSA-N 297.383 3.626 30 20 CHED C#CCSCCNC1CCC(c2ccccc2)CC1 222112508 OEZNDUCBRAFIGZ-UHFFFAOYSA-N 273.445 3.669 30 20 CHED N#Cc1cc(C(=O)OCc2ccc(Cl)cc2)cs1 1524375843 FETPZMVZBUPPSO-UHFFFAOYSA-N 277.732 3.630 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@H]1CCOc2ccccc21 1458546533 MKGITUVNZWRKPR-KRWDZBQOSA-N 293.322 3.547 30 20 CHED Cc1ccc(COC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 1536930507 MKAXWVRANGBAMM-HNNXBMFYSA-N 293.366 3.789 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C1[C@H]2CCCCCC[C@H]12 1530316287 MIMBFEOYSJVCKN-GJZGRUSLSA-N 290.451 3.991 30 20 CHED C[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)C1CCCCCC1 1469738391 BJVLUYMEVUYGJF-WMLDXEAASA-N 291.439 3.681 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(C(=O)O)co2)ccc1Cl 1600186804 XBIZDPNYIACSOZ-HWKANZROSA-N 290.702 3.836 30 20 CHED CCC[C@@](C)(O)CNc1ccc(C#N)c(C(F)(F)F)c1 226233811 ABQVBQJDRNHRQA-CYBMUJFWSA-N 286.297 3.540 30 20 CHED N#Cc1ccc(C(=O)Nc2cscc2Cl)cc1 1537295542 SETLDUQRWKBMTO-UHFFFAOYSA-N 262.721 3.525 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](Nc1cncc(C#N)n1)CCC2 1472749077 QBHRXBSZGGMBPO-KRWDZBQOSA-N 292.386 3.961 30 20 CHED N#Cc1ccc(CSc2nc3ncccc3s2)s1 1473072721 CHNRFXIGEJTMTC-UHFFFAOYSA-N 289.410 3.917 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C)CCC[C@@H]2C)c1 1562939904 ZQSBVLLXYYMFQK-OCCSQVGLSA-N 285.391 3.909 30 20 CHED CC(C)CCO[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 1659608134 QHHOGWVBWYQDCY-QGZVFWFLSA-N 292.467 3.988 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2csc(C#N)c2)C1 1597593370 USLRWJCMEHTRFQ-NSHDSACASA-N 276.405 3.566 30 20 CHED C[C@H]1CN(C(=O)[C@H](CC#N)c2ccccc2)CC(C)(C)C1 1597492799 MYHVFKAERLSEPB-GDBMZVCRSA-N 284.403 3.578 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2c(c1)CCCCC2 1673316247 HGTBURNCIWRYCB-UHFFFAOYSA-N 278.783 3.830 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc3occc3c2)s1 1596965604 SEWPAMLVKGWWCD-UHFFFAOYSA-N 268.297 3.618 30 20 CHED C=CCc1cccc(CN2CC3(CCC3)C[C@@H]2CC(=O)O)c1 1776187401 UIOXKGGVEAVLDX-KRWDZBQOSA-N 299.414 3.634 30 20 CHED Cc1ccc2c(c1)C(=NNc1cccc(C(=O)O)c1C)CC2 1776086602 DASCNPWVBOZDAJ-UHFFFAOYSA-N 294.354 3.764 30 20 CHED C=CCCC1(CNc2ncccc2C(=O)O)CCCC1 1776170428 KMFDLKXZSFILFJ-UHFFFAOYSA-N 274.364 3.718 30 20 CHED Cc1ccc(NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)c(Cl)c1 1776060827 QPZGNKGJAPJDMP-QWRGUYRKSA-N 294.782 3.937 30 20 CHED C=C1CC2(C1)CC(C(=O)Nc1ccc([C@@H](C)C(=O)O)cc1)C2 1776145309 GGPQOLMTWSRZIP-GFCCVEGCSA-N 299.370 3.560 30 20 CHED CCC(=NOC[C@@H](C)CC)c1ccc(C(=O)O)cc1 1776077909 LCFYSGQSPNDXQF-NSHDSACASA-N 263.337 3.562 30 20 CHED O=C(O)c1ccc(NN=C2CCC3(CC2)CC3(F)F)cc1 1776012140 FLJQQYJPIWTYPX-UHFFFAOYSA-N 294.301 3.752 30 20 CHED Cc1c(NN=C2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cccc1C(=O)O 1776087195 NCKFEHSPHCHLKY-XALPAYFRSA-N 284.359 3.527 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCC[C@H](CC)C1 1690328884 PFMGEIOWWHWUDQ-ZDUSSCGKSA-N 296.846 3.780 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccccc2F)o1 162122936 ZKPIAEOVFSZHIC-INIZCTEOSA-N 286.306 3.508 30 20 CHED CC(C)CCN(CCC#N)c1nc(C(C)(C)C)ns1 160034059 ISNOZUHLIAYBSQ-UHFFFAOYSA-N 280.441 3.602 30 20 CHED Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CCC#N 160124595 BOBJAUGHEFPFPD-ZDUSSCGKSA-N 294.830 3.552 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](c2ccccc2)C1 165472503 UDVOWYMNNHQFIY-LJQANCHMSA-N 276.383 3.856 30 20 CHED C=CCN(Cc1ccc(C)nc1)Cc1cccs1 153708343 HUDKEFGKMLLVRN-UHFFFAOYSA-N 258.390 3.640 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C)nc1 153851816 KIRDAGSPWUWFJL-UHFFFAOYSA-N 259.397 3.542 30 20 CHED Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(C)(C)C#N 153961372 UHAKNZVACVPGEX-CQSZACIVSA-N 299.418 3.862 30 20 CHED CCC[C@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 155440445 QQLUNIOODJBSIU-RYUDHWBXSA-N 269.348 3.565 30 20 CHED CC(C)(C)SCCCC(=O)Nc1ccc(C#N)cc1 19870240 HHMJHWAPECNHEU-UHFFFAOYSA-N 276.405 3.809 30 20 CHED C#Cc1cccc(N[C@H](C)CCc2ccc(O)cc2)c1 19876945 CUMBPEVFWBEPRK-CQSZACIVSA-N 265.356 3.807 30 20 CHED N#Cc1ccc(CN2CCC[C@H]3CCCC[C@@H]32)cc1 35164199 DMRSXMYXJJFSCK-SJORKVTESA-N 254.377 3.713 30 20 CHED C[C@@H](Nc1ccc2c(c1)CCO2)c1cccc(C#N)c1 37313477 NNNDVAVEPFNJDI-GFCCVEGCSA-N 264.328 3.666 30 20 CHED CC[C@@H](NC(=O)C1(C#N)CCCCC1)C1CCCCC1 52343177 MDSQUHYCHLNNOY-OAHLLOKOSA-N 276.424 3.936 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(Cl)n1 401925045 QOCCEDIPDFTDDN-GFCCVEGCSA-N 285.778 3.766 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 309652023 ALFASIOTPQFGIZ-OAHLLOKOSA-N 294.354 3.754 30 20 CHED CSC[C@H]1CCCN1CCCCC(C)(C)C#N 310044684 LRIQEXKKRMDQSO-CYBMUJFWSA-N 254.443 3.534 30 20 CHED Cc1occc1CNc1ccc(Br)cc1C#N 321059045 LLGXCKADZHBLPM-UHFFFAOYSA-N 291.148 3.834 30 20 CHED CC[C@@](C)(CNc1ccc(Br)cc1C#N)OC 322762335 GMEVTKVVEAXPHJ-ZDUSSCGKSA-N 297.196 3.548 30 20 CHED Cc1cc(N2CCC(C3CCCC3)CC2)c(C#N)cn1 708860985 ONMJYSJHAJRSMK-UHFFFAOYSA-N 269.392 3.668 30 20 CHED CC(C)CC1(CNc2ccc(C#N)c([N+](=O)[O-])c2)CC1 391896635 BRGQOJJUIMJNSU-UHFFFAOYSA-N 273.336 3.705 30 20 CHED CC(C)c1ccc(OC(=O)c2cccc(C#N)c2)cc1 3563993 GFAZBZFZNQBMQU-UHFFFAOYSA-N 265.312 3.901 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1F 105487518 AMQAKLFKWKKGGL-CQSZACIVSA-N 298.361 3.887 30 20 CHED CC[C@H](C/N=C(/N)Nc1cccc(OC)c1)c1ccccc1 104156508 QCVLOQLUXCSPQI-CQSZACIVSA-N 297.402 3.616 30 20 CHED CCCc1nc(CNc2cccc(C#N)c2C)cs1 179052240 TZQHGEIXOWQLKG-UHFFFAOYSA-N 271.389 3.888 30 20 CHED C=CCCCC(=O)NC[C@H](OC)c1cccc(Cl)c1 176070665 RRZXPUZBSXVNHU-AWEZNQCLSA-N 281.783 3.500 30 20 CHED CC(C)N(C(=O)/C=C/c1ccc(C#N)cc1)C1CCCC1 57750939 VUJJNSLGXVMMML-VAWYXSNFSA-N 282.387 3.751 30 20 CHED N#Cc1ccccc1Sc1ccc(C(=O)N2CCC2)cc1 175150292 QBLZIBCFWHEWRQ-UHFFFAOYSA-N 294.379 3.555 30 20 CHED C[C@H](Cc1ccsc1)Nc1cccc(F)c1C#N 108643578 IUHGJHMWOPBXBQ-SNVBAGLBSA-N 260.337 3.802 30 20 CHED Cc1cccnc1[C@@H](NCc1cccc(C#N)c1)C(C)C 112637838 GXYQPTHCBJRRDE-KRWDZBQOSA-N 279.387 3.749 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1OC(F)F 114667690 IAYFTUGSBYQHET-UHFFFAOYSA-N 294.301 3.619 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Oc2cccnc2)cc1 63266375 JTSNMQJJTISHAT-UHFFFAOYSA-N 296.370 3.912 30 20 CHED Cc1ncccc1/C=C/C(=O)c1cccc(Cl)c1 171417489 NYEPSGXLBZGOPE-BQYQJAHWSA-N 257.720 3.940 30 20 CHED C=CCCCN(C)Cc1ccc(OC)c(OC(F)F)c1 117872819 VKWFAJJYFAXTOT-UHFFFAOYSA-N 285.334 3.695 30 20 CHED N#CC1(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)CCCCC1 110576688 YHWVYZHPBSNNBO-DLBZAZTESA-N 296.414 3.913 30 20 CHED CCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])c(C#N)c1 302187683 WQIPVJGJKXHOFE-UHFFFAOYSA-N 299.305 3.632 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cnn(-c2ccccc2)c1 119010968 PEPLZLRQYBISHV-BQYQJAHWSA-N 278.311 3.670 30 20 CHED O=C1/C(=C\c2csc([N+](=O)[O-])c2)Cc2cc(F)ccc21 114992311 NRFIJHWYCAGBPB-KMKOMSMNSA-N 289.287 3.618 30 20 CHED Cc1ccc(CNc2ccc(C(F)(F)F)cc2C#N)cn1 62056312 VKEFEQSCGSUBMT-UHFFFAOYSA-N 291.276 3.893 30 20 CHED N#CCN(C(=O)CC1CCCCCC1)c1ccccc1 175782398 MQOROKRRLLSFNX-UHFFFAOYSA-N 270.376 3.904 30 20 CHED CC(C)[C@@H](Nc1ccc(C#N)cn1)c1ccccc1 24102898 BEQVCJQSHVQWHZ-MRXNPFEDSA-N 251.333 3.762 30 20 CHED C[C@@H](CC#N)NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 179742316 WSCTYRPQKVWIDB-OWCLPIDISA-N 294.439 3.560 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1F 170851849 MWZOPQWFCOYFJW-GORDUTHDSA-N 290.265 3.575 30 20 CHED C#CCCCCC(=O)O[C@H](c1ccccc1)c1nccs1 120401660 JUTALTLMTHNZED-MRXNPFEDSA-N 299.395 3.969 30 20 CHED N#Cc1nc(NCCc2cc(F)cc(F)c2)ccc1Cl 301188340 WVFUSWGTALQSRH-UHFFFAOYSA-N 293.704 3.539 30 20 CHED C=C(C)CNC(=S)N(CC)[C@H](C)c1ccc(F)cc1 60435815 LNZOLRBNABKBAF-GFCCVEGCSA-N 280.412 3.659 30 20 CHED Cc1ccc(C)c(Sc2nccc(C#N)c2[N+](=O)[O-])c1 301642736 MTHIDAZWWAAUOD-UHFFFAOYSA-N 285.328 3.630 30 20 CHED Cc1cc(F)cc2c1N(C(=O)c1cccc(C#N)c1)CCC2 66786369 OZYWQTOJPVAUIP-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=CCC(CC=C)C(=O)NCC1(c2ccccc2)CCC1 121720158 HUCQQRYYWUIPFP-UHFFFAOYSA-N 283.415 3.993 30 20 CHED COCc1ccccc1CNc1c(Cl)cccc1C#N 301199650 LVLIYNCYWZTFTO-UHFFFAOYSA-N 286.762 3.970 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)C1CCCCCCC1 123776314 BQZNQBNSSAMKBP-AWEZNQCLSA-N 267.413 3.539 30 20 CHED C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccc(C#N)cc1 37749720 YIOOKJWIRCBTEV-JTQLQIEISA-N 285.278 3.779 30 20 CHED C=CCC[C@@H](Nc1nccc(N(C)C)n1)c1ccccc1 301770668 JBLYARZEEWLOCO-OAHLLOKOSA-N 282.391 3.662 30 20 CHED C=C(C)[C@H](NCCCCCOC)c1ccc(F)c(F)c1 187782944 KAUBZCAZYSNYSI-INIZCTEOSA-N 283.362 3.988 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N[C@@H](CC)CC#N 123989131 WTOLXJTXUWCVNH-NSHDSACASA-N 296.823 3.874 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc3ncccc3c2)C1 185888786 YYJPEOYQRRFJRA-OCCSQVGLSA-N 251.333 3.729 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(C(C)C)c(Cl)c1 189650509 XSMUPEDNHBLJRQ-GFCCVEGCSA-N 278.783 3.885 30 20 CHED CC[C@@H](C#N)N[C@H]1CCSc2ccc(Cl)cc21 122200581 MLLXAHQHYLRTKN-JQWIXIFHSA-N 266.797 3.769 30 20 CHED C=CC[C@H](C(=O)N(C)c1nc(C)cs1)c1ccccc1 186808744 GQVKPKLPEPMWPZ-AWEZNQCLSA-N 286.400 3.774 30 20 CHED Cc1c(F)cccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 72604577 AKKOWWWBXRIZDM-LBPRGKRZSA-N 297.333 3.889 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(OCC#N)cc2)s1 214174110 ZRVZTDCDMRRJGB-HJWRWDBZSA-N 283.352 3.855 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1ccccc1Br 506056547 NGXLTEJSUNQTTJ-NWDGAFQWSA-N 295.224 3.992 30 20 CHED C[C@@H](OC(=O)c1cc2cccc(F)c2o1)C(C)(C)C#N 124848246 ZTBHXGTXYRRRJK-SECBINFHSA-N 275.279 3.667 30 20 CHED CC[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C1 181144206 HPTNLAWGFNTYOA-LLVKDONJSA-N 293.208 3.553 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(Cl)ccc1SC 78525898 XTFDKQWKZZVFFI-UHFFFAOYSA-N 297.811 3.829 30 20 CHED N#CC1(CCn2ccc(C(F)(F)F)cc2=O)CCCCC1 418982581 CCYSZKXQQCHCSE-UHFFFAOYSA-N 298.308 3.731 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC=C(C)CC1 413825040 FAQAYGGDHYPBBV-KRWDZBQOSA-N 284.403 3.535 30 20 CHED Cc1ccnn1-c1ccccc1NCCCC(C)(C)C#N 181903739 ZCDLAWFAZFPLFR-UHFFFAOYSA-N 282.391 3.923 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CCCC3)c(F)c2)C1 185728149 YGMNZBQCKMSJQQ-ZIAGYGMSSA-N 287.382 3.920 30 20 CHED C=CC[C@@H](C)N[C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 184169086 UIKXOFJILFLQBZ-OLZOCXBDSA-N 284.403 3.588 30 20 CHED CCC[C@H](CC)S(=O)(=O)CCC1(C#N)CCCCC1 414216769 AHBXRCXDLWTEOK-AWEZNQCLSA-N 285.453 3.844 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(C(C)C)[C@@H](C)c1ccccc1 410894222 UGKKJWKUBZIBQK-UAGQMJEPSA-N 287.403 3.576 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1[C@@H](C)C1(F)F 410346177 ULUZYUUWUPVDCM-ZWNOBZJWSA-N 265.303 3.645 30 20 CHED C=CCOc1ccc(-c2nnc(SCCC)o2)cc1 126328831 JSMXVIYRDVXACZ-UHFFFAOYSA-N 276.361 3.804 30 20 CHED C=CCN(C)Cc1csc(CCc2ccccc2)n1 121381190 BZGFMRZPMIUZOJ-UHFFFAOYSA-N 272.417 3.546 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(C)ccc2O)c1OC 211459150 WIOKSTITXDDBJW-CSKARUKUSA-N 298.338 3.614 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(C#N)cc1 129730057 GSKLDFWTHUVIFO-KRWDZBQOSA-N 284.403 3.989 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(Br)c(F)c1 129788668 RLKFMYGRVNBJJR-MRVPVSSYSA-N 292.579 3.991 30 20 CHED C=CCN1CCC[C@H]1c1cc(Br)ccc1OC 507162306 CWJOGGGAANHLIF-ZDUSSCGKSA-N 296.208 3.781 30 20 CHED CCCCCCCCCC(=O)N1C[C@H]2[C@@H](N)CCC[C@H]2C1 125889428 ACWZWJGWIBUKKP-BBWFWOEESA-N 294.483 3.713 30 20 CHED CC(C)(C#N)CC[S@@](=O)c1ccc(F)c(Cl)c1 120174165 FJIQCYOJMILSHE-KRWDZBQOSA-N 273.760 3.527 30 20 CHED Cc1ccc(-n2cc(NCc3ccc(C#N)o3)cn2)c(C)c1 189078265 ODMQRXSSADSQBH-UHFFFAOYSA-N 292.342 3.566 30 20 CHED COC1(CCSCCOc2cccc(C#N)c2)CCC1 419381673 CWFWBUBQUAQXLX-UHFFFAOYSA-N 291.416 3.629 30 20 CHED C=CCSCCNC(=O)N1CCC[C@@H]1[C@@H](C)CCC 509172658 ZJRAMIBCEFRCGY-UONOGXRCSA-N 284.469 3.516 30 20 CHED Cc1csc(-c2cccc(C(=O)OC(C)(C)C#N)c2)n1 181843523 VIIRLLSBDMTKEV-UHFFFAOYSA-N 286.356 3.578 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c(C)c1 414159012 ZQZXBBINTWXPAE-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C[C@@H](NCc1ccc(F)cc1C#N)c1cccc(F)c1F 181992577 WTJAYSINNUKITI-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NC[C@@H](CC)c1ccccc1 188024954 HFIHBZDSQRWYOD-QAPCUYQASA-N 289.419 3.525 30 20 CHED C=CCC1(C(=O)Nc2cccc(Cl)c2O)CCC1 189803491 HQNWVCDQECIEGD-UHFFFAOYSA-N 265.740 3.731 30 20 CHED CCOC[C@@H]1CCC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 417372667 WFFOPTPYPMYUSO-UHOSZYNNSA-N 298.430 3.730 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1Cl 521827013 WOUTZUZYYVLOOQ-GBIKHYSHSA-N 274.751 3.586 30 20 CHED C[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H](C)S1 70387418 BOLOHBBZPLOCNT-AOOOYVTPSA-N 266.797 3.542 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 411350524 HPDORFQLRPPGAB-XDKFSHSGSA-N 296.414 3.699 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1/C=C\c1ccccc1 503905570 ZNMBVRQIHBVNRJ-GSTOJPGVSA-N 284.403 3.838 30 20 CHED CCC(CC)[C@H]1C[C@H](NCc2ccc(C#N)cc2)CCO1 180374455 SBQMEOXPAMOUAS-QZTJIDSGSA-N 286.419 3.632 30 20 CHED CC(C)C/C(N)=N/OCc1csc(-c2cccs2)n1 49391706 SNBLWKCIFSCIIA-UHFFFAOYSA-N 295.433 3.707 30 20 CHED C[C@]1(C/N=C(/O)Nc2cccc3ccsc23)CCOC1 328850074 WJGUZFDHKNZXLG-OAHLLOKOSA-N 290.388 3.654 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416109967 RKTJEYFMCZYXKR-GDZNZVCISA-N 284.403 3.734 30 20 CHED CCc1cccc(NC(=O)NCC2(C#N)CCC2)c1CC 417055789 YACSURNFMPPZEE-UHFFFAOYSA-N 285.391 3.627 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)c1cccc(CC#N)c1 42198526 WBBQRNAEDTXBHY-OAHLLOKOSA-N 292.382 3.504 30 20 CHED COc1cc(NCCC(C)(C)C#N)c(Cl)c(OC)c1 417073658 YJBDHVVADNTZCN-UHFFFAOYSA-N 282.771 3.709 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1csc2c1CC[C@@H](C)C2 410830240 ULDMYSVQBIHBST-NEPJUHHUSA-N 290.432 3.637 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1cc2ccccc2s1 502492103 NRNQGSLLQWAUMZ-INIZCTEOSA-N 286.400 3.959 30 20 CHED Cc1noc(C)c1C(C)(C)/N=C(/O)[C@@H]1C[C@H]1C1CC1 329187833 BHKMEBGUMUVCPR-NWDGAFQWSA-N 262.353 3.529 30 20 CHED CC(C)CN(C)C(=O)c1ccccc1-c1ccccc1C#N 45529092 VMLLTYMKLHVFHE-UHFFFAOYSA-N 292.382 3.953 30 20 CHED CC(=O)Nc1cccc([C@H](C)NCCCC(C)(C)C#N)c1 87597446 IETQKPOOMUWPRY-ZDUSSCGKSA-N 287.407 3.626 30 20 CHED CC(C)(C)Oc1ccccc1NC(=O)C#Cc1ccccc1 81754281 CXMNMFHZPNVTBR-UHFFFAOYSA-N 293.366 3.854 30 20 CHED C=CC[C@@H](C(=O)NCC1(SC)CCC1)c1ccccc1 194612604 XXJTZZQLHCIINA-OAHLLOKOSA-N 289.444 3.748 30 20 CHED C#CCCCC(=O)N[C@H](c1ccccc1C)C(C)C 192306804 ADXAJTMIEWECOH-KRWDZBQOSA-N 257.377 3.612 30 20 CHED Cc1ccc(C[C@@H](C)N[C@H]2CCC[C@H](C#N)C2)s1 192882508 BMKVZTFYPTUWHB-XBFCOCLRSA-N 262.422 3.660 30 20 CHED CC(C)[C@@H](CC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424974282 CUCFFNJOEPMKOZ-USXIJHARSA-N 284.403 3.625 30 20 CHED O/C(=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1c[nH]c2ncccc12 328999688 KUQKLOMAAVJMLN-YCSFKOBZSA-N 295.386 3.692 30 20 CHED CC(C)CC(C)(C)CNC(=O)Nc1ccc(CC#N)cc1 83543331 ZNHBYSRELRXGDN-UHFFFAOYSA-N 287.407 3.946 30 20 CHED N#CC1(F)CCN(CCc2ccc3ccccc3c2)CC1 510935955 NYVRXZCTCRSFGW-UHFFFAOYSA-N 282.362 3.710 30 20 CHED C=C[C@H](CC(=O)NCc1cccc(F)c1)c1ccccc1 130235929 HKMFQXCMJXUOLP-OAHLLOKOSA-N 283.346 3.802 30 20 CHED N#Cc1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)cc1 193050639 IKLJFHAGZBPBDX-UHFFFAOYSA-N 294.329 3.502 30 20 CHED C=CCCN(C)c1ccc(C#N)c(C(F)(F)F)c1 380993568 GGNDOZNXYIXUKM-UHFFFAOYSA-N 254.255 3.589 30 20 CHED C[C@H](CC(=O)N1CCC[C@](C)(C#N)C1)CC(C)(C)C 612367027 KSNMGFAHPPVPED-CZUORRHYSA-N 264.413 3.601 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(SC)c(Cl)c1 81093037 RFVVZQFCZLAGPM-JTQLQIEISA-N 299.823 3.982 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2cccc(CC#N)c2)cc1 42349408 AWTZJDUOYFCJSX-CQSZACIVSA-N 292.382 3.806 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1 44816650 VOPXHHASXGGLOM-QWHCGFSZSA-N 296.292 3.865 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(O)cc1C)c1ccccc1 427638100 JMZGMJSHJSGIHR-INIZCTEOSA-N 281.355 3.999 30 20 CHED C=Cn1cc(CN[C@@H](C(=C)C)c2ccc(F)c(F)c2)cn1 194422348 RDEFYWMGMPQNDR-INIZCTEOSA-N 289.329 3.669 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCCCCC1 334667804 BOVKLUMCYFDMBU-UHFFFAOYSA-N 284.403 3.530 30 20 CHED N#Cc1nn(Cc2cnc3ccccc3c2)c2ccccc12 338562912 RGELTXLHXHVNPB-UHFFFAOYSA-N 284.322 3.504 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)N(CC)CCC#N)c1 80170853 NZMIKIUPVCRHBN-ZDUSSCGKSA-N 289.379 3.631 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 337902902 RSKAMBNVOLSZMN-IUODEOHRSA-N 270.376 3.517 30 20 CHED C[C@@H]1CCCC[C@H]1OCCNc1ncc(C#N)cc1Cl 339136350 LPPAJCVQTCKFLF-BXUZGUMPSA-N 293.798 3.614 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/C(C)(C)C(C)(C)O 330718774 VXKMLRNTQHNCFI-UHFFFAOYSA-N 298.452 3.504 30 20 CHED COc1cc(F)ccc1NC1CCC(C)(C#N)CC1 334532184 MHWBLXRFXPFUHD-UHFFFAOYSA-N 262.328 3.719 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(CC1(C#N)CC1)CC2 511195602 AKJUIKDQIOGTTK-UHFFFAOYSA-N 268.404 3.646 30 20 CHED C=CC1CCN(C(=O)CSc2cc(C)ccc2C)CC1 518910469 CGVPKTAKPFLGFU-UHFFFAOYSA-N 289.444 3.820 30 20 CHED Cc1ccncc1/C(O)=N/C[C@H]1CCC2(CCCCC2)O1 330091927 YEVHBFGLXRUTEA-CQSZACIVSA-N 288.391 3.577 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N(C)CC(C)(C)C#N 424840331 GXCWZCPSPVFXNY-OAHLLOKOSA-N 286.419 3.572 30 20 CHED Cc1cc(C(=O)N(C2CC2)C2(C#N)CCC2)ccc1Cl 334331759 PQACLECZAAIXBD-UHFFFAOYSA-N 288.778 3.699 30 20 CHED CCc1occc1C(=O)N(C)c1cc(Cl)ccc1C#N 334710667 XUFMYWSZQLGBJJ-UHFFFAOYSA-N 288.734 3.644 30 20 CHED C#CCOc1ccc(CNCc2ccc(C)cc2C)cc1 237748329 HUODUSMHFURDFK-UHFFFAOYSA-N 279.383 3.605 30 20 CHED CSc1cccc(F)c1C(=O)Nc1cccc(C#N)c1 334413641 OFPRJDJNECJVQW-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)c2ccccc21 334225027 DJUKUBJVGCEZKU-CQSZACIVSA-N 290.366 3.907 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 431390216 GZZZKVQCUOXWOD-JTQLQIEISA-N 278.421 3.809 30 20 CHED C[C@H](c1cccnc1)N1CC=C(c2ccc(C#N)cc2)CC1 334189478 GUZUZXQGAABNNT-OAHLLOKOSA-N 289.382 3.804 30 20 CHED N#CCC1(CNCc2csc(-c3ccsc3)n2)CC1 430024196 ZGBYBLIPIIDEBV-UHFFFAOYSA-N 289.429 3.655 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1cnc(C(C)C)s1 330476836 IDBPBILNCXWZKJ-CQSZACIVSA-N 279.409 3.899 30 20 CHED CC[C@H](/N=C(/O)N1CCC[C@@H]1C(C)C)c1c(C)noc1C 330462454 BHLFDWCQGBEUIP-UONOGXRCSA-N 293.411 3.777 30 20 CHED N#CCC1(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 430758150 ZKZLNRADJTYEBI-IAGOWNOFSA-N 268.404 3.681 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(Cl)c2ncccc12 335050766 VYVSAIYVZYCJJN-UHFFFAOYSA-N 274.751 3.536 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(OC)c(F)c1 432666554 RXFGIHYPTHDOPC-UHFFFAOYSA-N 280.343 3.558 30 20 CHED COc1ccc([C@H](Nc2cccc(F)c2C#N)C2CC2)cn1 528287329 PZBIVSDXHFHINT-QGZVFWFLSA-N 297.333 3.664 30 20 CHED CC(C)(C)OC(=O)CCCNc1ccc(Cl)cc1C#N 342011685 AOYCTKJHDFEXCZ-UHFFFAOYSA-N 294.782 3.745 30 20 CHED C[C@H](c1cccc(C(F)(F)F)c1)N(C)CCC#N 346271125 NWYRXZXEJWXNKT-SNVBAGLBSA-N 256.271 3.612 30 20 CHED N#CC1(C(=O)Nc2cccc(-c3ccccc3)c2)CCC1 345628161 QFCUHSPZHGQQAS-UHFFFAOYSA-N 276.339 3.986 30 20 CHED C=CC[C@H]1N(C(=O)CCc2ccoc2)CCCC1(C)C 347436155 TUBQAGYRIFSCJE-OAHLLOKOSA-N 275.392 3.806 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 247543845 RGABVEHROBNWII-BPNCWPANSA-N 297.320 3.890 30 20 CHED C=C(C)CSc1nc(C2CC2)nn1-c1ccccc1 341759024 SVWBLRANBCECGH-UHFFFAOYSA-N 271.389 3.813 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)c1ccc([N+](=O)[O-])cc1C#N 248087789 DVFMOHWQKLBRTG-LLVKDONJSA-N 299.305 3.803 30 20 CHED N#Cc1ccc(SCc2ccccc2[N+](=O)[O-])cc1 609296145 ZWGKRNHWYYKYPX-UHFFFAOYSA-N 270.313 3.759 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCOc2ccc(OC)cc21 344093041 CHVMOBZDMIINRT-XJKSGUPXSA-N 275.392 3.853 30 20 CHED COc1cccc(C=Nc2ccc(OC(C)C)cc2)c1O 254969809 ZRCOREVCZKAEEC-UHFFFAOYSA-N 285.343 3.939 30 20 CHED C[C@H](CCC#N)CN(Cc1ccc(F)cc1F)C1CC1 602442097 UREWNSBYMDNCDU-GFCCVEGCSA-N 278.346 3.869 30 20 CHED CC(C)C[C@H](C#N)NC(=O)Cc1ccc(Cl)cc1Cl 608822938 JSMDAPCYOWRORK-GFCCVEGCSA-N 299.201 3.590 30 20 CHED N#Cc1ccnc(N2CCc3cc(F)c(F)cc32)c1Cl 341544124 GVJBAIBLAJSICH-UHFFFAOYSA-N 291.688 3.579 30 20 CHED Cc1nc(C)c([C@H](C)N(C)C[C@H](C)CCC#N)s1 602477398 VRLMEAIFHURMBY-PWSUYJOCSA-N 265.426 3.693 30 20 CHED Cc1cc(-c2noc(Cc3c(F)cccc3C#N)n2)c(C)o1 347136710 FKKDLYOJOWJNLY-UHFFFAOYSA-N 297.289 3.548 30 20 CHED C[C@@H](NCCc1ccc2[nH]ccc2c1)c1cccc(C#N)c1 442133674 VWTJHAZZQBBUEZ-CQSZACIVSA-N 289.382 3.933 30 20 CHED CC(C)(C)[C@H](NCc1cccc(C#N)n1)c1ccccc1 602508456 MWKNNPDKDKFGKY-QGZVFWFLSA-N 279.387 3.830 30 20 CHED COc1ccc(C#N)cc1CN(C)Cc1cc(C)ccc1F 444737454 SBPHEUWBJIUSFX-UHFFFAOYSA-N 298.361 3.646 30 20 CHED CCc1c(NCc2ccc(C#N)o2)cnn1C(CC)CC 359822102 ZKSZXSMPKJLNTL-UHFFFAOYSA-N 286.379 3.883 30 20 CHED N#Cc1ccccc1NC(=O)c1cc2occc2s1 609852535 JBWXTLPUOIKUOO-UHFFFAOYSA-N 268.297 3.618 30 20 CHED CC[C@H](C)n1ncc(NCc2cccc(C#N)c2)c1C 359803283 PZUOBCAASGLFLB-LBPRGKRZSA-N 268.364 3.646 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)c1cc2ccccc2s1 448929475 SCAAAWWOFMCXDP-MMPTUQATSA-N 284.384 3.628 30 20 CHED CCc1cnc(S[C@@H](C#N)CCc2ccccc2)[nH]1 601079686 BILZPXNRGWADNP-CQSZACIVSA-N 271.389 3.589 30 20 CHED CC[C@@H](NC[C@@H](C)CCC#N)c1ccc(F)cc1F 602557927 PPROUHAWIGSIIG-XHDPSFHLSA-N 266.335 3.945 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@](C)(C#N)C(C)(C)C)c1 602302157 DEGRZLYQOUHYMQ-DAYGRLMNSA-N 284.403 3.543 30 20 CHED C=CCC1(C(=O)Nc2cccc(-n3cccn3)c2)CCC1 358491262 DADPBLGGZUKJQS-UHFFFAOYSA-N 281.359 3.557 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H]2SCCc3ccccc32)C1 447581709 VNTPOCOIZTUNCY-UKPHBRMFSA-N 286.444 3.689 30 20 CHED C[C@@H](CC(=O)N(CCC#N)Cc1ccco1)CC(C)(C)C 604455894 BMWBCFBDJJLDIN-AWEZNQCLSA-N 290.407 3.984 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc2cnccc2c1 448915616 DPEYJIRBULCZAF-UHFFFAOYSA-N 295.386 3.637 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1 617782919 PDOLAFDOTOTCEF-JTQLQIEISA-N 283.293 3.532 30 20 CHED C=CCC1(C(=O)Nc2ccc3ccccc3n2)CCC1 357767605 LAINMUHEEYGHNN-UHFFFAOYSA-N 266.344 3.920 30 20 CHED CC(C)[C@H]1CCCN1C(=O)N[C@H](CCC#N)c1ccccc1 269618272 OXPBAAVJOLJTEF-IAGOWNOFSA-N 299.418 3.861 30 20 CHED N#Cc1csc(CN[C@@H]2CSCc3ccccc32)c1 610488700 VUSXLLODUWFNAS-OAHLLOKOSA-N 286.425 3.697 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ncc(Cl)s2)n1 358856777 LFYUINSKBVRRDX-UHFFFAOYSA-N 295.820 3.972 30 20 CHED Cc1cc(C#N)ccc1COc1cccc(-n2cccn2)c1 614392481 PZVGYEBPEJUZSH-UHFFFAOYSA-N 289.338 3.631 30 20 CHED C=CCC1(NCc2cnc(N(C)C)s2)CCCCC1 449572169 IPDSOOAIVXAYIY-UHFFFAOYSA-N 279.453 3.578 30 20 CHED N#CCCN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 440313990 HZBGVKNGUIKWSJ-GFCCVEGCSA-N 299.201 3.750 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618819177 DZQLLSYQRIMDHW-DCGLDWPTSA-N 299.418 3.669 30 20 CHED CCCCCCCCNC(=O)CCc1nccs1 269970736 YUBOSUKYSQYTIK-UHFFFAOYSA-N 268.426 3.552 30 20 CHED C[C@H]1c2cccn2CCN1CC#Cc1cccc(Cl)c1 448454997 PSQXEFWWQUSRSG-AWEZNQCLSA-N 284.790 3.570 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cccc(OCC)c1 538288558 CUUXOBFRGJDXCI-CQSZACIVSA-N 290.407 3.629 30 20 CHED CC1(C)CCCN(CCCc2cccc(F)c2)[C@H]1C#N 444732110 LIDJYHFTSKTMSD-INIZCTEOSA-N 274.383 3.772 30 20 CHED CC(C)(C)c1cccc(OCCNc2cnccc2C#N)c1 539859734 HMCQALJFNWWXGH-UHFFFAOYSA-N 295.386 3.742 30 20 CHED CC(C)(C)c1ccc(C(=O)N2CCC[C@](C)(C#N)C2)s1 612243246 QREGIEZFEFQTKS-MRXNPFEDSA-N 290.432 3.811 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1c(C)n[nH]c1C)c1ccccc1 615002292 MRDRKAAHZLXIEB-CYBMUJFWSA-N 297.402 3.739 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1cccc(C#N)c1 612469136 AMRBPCMGVYSETK-AYMQEEERSA-N 299.418 3.743 30 20 CHED CCCC[C@@H](CCC)NC(=O)N1CCC[C@@](C)(C#N)C1 612135218 RBASRACQFKFLPL-ZBFHGGJFSA-N 279.428 3.681 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCCCS1 612416815 XTELSMOMEGLARG-WBVHZDCISA-N 286.444 3.811 30 20 CHED N#Cc1cnc(N[C@@H]2CCOC3(CCCC3)C2)c(Cl)c1 268956368 JRUWMAVNMBYISJ-GFCCVEGCSA-N 291.782 3.510 30 20 CHED C=CCC1(NC(=O)NCC[C@H]2CCCCO2)CCCCC1 458638822 UAOZEQLASISXDN-OAHLLOKOSA-N 294.439 3.524 30 20 CHED CC(C)(NC(=O)c1cccc(SCC#N)c1)C1CCC1 456143940 JLCZVCAUCXISAS-UHFFFAOYSA-N 288.416 3.611 30 20 CHED C=CCn1c(C)nnc1SCc1cc2ccccc2o1 362894192 ZOEBXGDHDWKIHB-UHFFFAOYSA-N 285.372 3.811 30 20 CHED C=CCCNC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 617616778 GYADISUSXAOLQR-HZPDHXFCSA-N 281.440 3.834 30 20 CHED C=CCC1(NC(=O)CCc2ccc(C#N)cc2)CCCCC1 456386857 UMXKQUBOXVMSOB-UHFFFAOYSA-N 296.414 3.886 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C#N)s1 611561532 YJDFBFYWSYICHH-VHSXEESVSA-N 288.338 3.783 30 20 CHED C=CCOCCCC(=O)N(C)Cc1ccc2ccccc2c1 361473442 KFWPQZYJOUWNCU-UHFFFAOYSA-N 297.398 3.781 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1cnc(C#N)c(Cl)c1 455762775 ODTFPFMDQXWDQE-VIFPVBQESA-N 294.786 3.553 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCC1CC(OC(C)(C)C)C1 546175277 RAWOZFZMCLGQAH-SHARSMKWSA-N 296.455 3.624 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 456508587 LUVUWVMRSCHXFW-SHTZXODSSA-N 287.403 3.660 30 20 CHED C=CCC1(c2nc(-c3ccc(O)nc3)no2)CCCCC1 453171820 WSQIAMAGZAUZEB-UHFFFAOYSA-N 285.347 3.615 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc(C2CC2)s1 618741522 FHWZHMJPZIQHHD-INIZCTEOSA-N 295.411 3.669 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)c1cn(C)c2ccccc12 452775765 PHCSNDSFMVHQDU-CYBMUJFWSA-N 284.403 3.610 30 20 CHED C#CCCCCC(=O)Nc1ccccc1NCCC 276869361 RADHSZXHVIALKE-UHFFFAOYSA-N 258.365 3.641 30 20 CHED CC(C)(C#N)Cc1nc([C@@H]2CCCc3ccccc32)no1 279123089 ZWFVRIGJBDMHJC-CQSZACIVSA-N 281.359 3.630 30 20 CHED C=CCC[C@H](NCc1nccnc1C)c1ccccc1 621342024 FHFSTDDOAMSNQW-INIZCTEOSA-N 267.376 3.582 30 20 CHED C[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1c[nH]c2ccccc12 278948610 GXSFTTJTNJJHNU-MLGOLLRUSA-N 297.402 3.716 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ccc(OC)c(F)c1 620863183 IUDAKMVKHFSUBO-UHFFFAOYSA-N 293.382 3.628 30 20 CHED CC#CCCNC(=O)CCCc1ccc(Cl)c(Cl)c1 544580746 BRVBRDOHZFOUNJ-UHFFFAOYSA-N 298.213 3.846 30 20 CHED C=C(C)CCNC(=O)Nc1cc(Cl)ccc1F 454277202 VBRGEHWJDRWCCX-UHFFFAOYSA-N 256.708 3.567 30 20 CHED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 454342272 JPOBZCBPUKNCPL-RDJZCZTQSA-N 285.391 3.699 30 20 CHED C=CCC[C@@H](NCCc1ccccn1)c1ccco1 276475776 QQIWIQSJKJFKJA-OAHLLOKOSA-N 256.349 3.514 30 20 CHED C=CCC1(C(=O)N2CC=C(c3ccccc3)C2)CCC1 377023062 LMVJCHCZCYEPGE-UHFFFAOYSA-N 267.372 3.659 30 20 CHED C=CCC[C@@H](NCc1nnc(C)s1)c1ccccc1 271739029 PCAVUJCJAZVAIY-CQSZACIVSA-N 273.405 3.644 30 20 CHED C=CCCN(C)C(=O)CCc1cc(Cl)cc(Cl)c1 466643118 SCOSZYNBRXIAJB-UHFFFAOYSA-N 286.202 3.961 30 20 CHED C=CCCc1nc(-c2cccc(OCCC)c2)no1 546371356 BRORNFCZZSGTSV-UHFFFAOYSA-N 258.321 3.644 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 628063089 ZCGUALZVSFYFTD-BPQIPLTHSA-N 283.415 3.913 30 20 CHED C=CCC[C@@H](NCCc1cnn(CC)c1)c1ccccc1 285255089 ZHTADPLKEHKRBU-GOSISDBHSA-N 283.419 3.743 30 20 CHED C=CC1CCN(c2nnc([C@H](C)CC)n2CC(=C)C)CC1 558989131 KFQQRJQXDURWGM-CQSZACIVSA-N 288.439 3.770 30 20 CHED CC1(C)CC(CNC2CCN(c3ccc(C#N)cc3)CC2)C1 556893244 ROHLFZQAXWXTNI-UHFFFAOYSA-N 297.446 3.553 30 20 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259.305 3.507 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 838317366 PSTULFKCNSHSSR-DLBZAZTESA-N 295.467 3.747 30 20 CHED C#CCCCC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 839832636 ZBBLZUHTNZPXDS-HOCLYGCPSA-N 289.806 3.896 30 20 CHED COc1ccc(Cl)cc1C=Nn1cnc2ccccc21 917541175 RHTDDRYUDSOCTQ-UHFFFAOYSA-N 285.734 3.581 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c([C@H](C)O)c2)CCCC1 832456483 ZFLXZBVTIGFOBP-LBPRGKRZSA-N 291.366 3.954 30 20 CHED CC(C)CCCCCC(=O)N[C@@](C)(C#N)C(C)C 747907403 HKNHOOGQELVBSZ-HNNXBMFYSA-N 252.402 3.647 30 20 CHED CC(C)(C)Oc1ccc(CNc2ncc(C#N)cc2F)cc1 591140996 LOKFVPIYKPSLDD-UHFFFAOYSA-N 299.349 3.882 30 20 CHED C[C@H](CCN1CCC[C@@H](CC#N)C1)OCc1ccccc1 595623067 GCZUAHUNSZLCJO-SJORKVTESA-N 286.419 3.607 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1scnc1C 742434646 LZSXTUZZMWYLHD-WAYWQWQTSA-N 288.328 3.564 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1c(C)noc1C(C)C 748935446 PJDUYYBSGGVRBL-UHFFFAOYSA-N 298.342 3.644 30 20 CHED Cc1cc(C#N)ccc1-c1ccccc1OC[C@@H]1CCOC1 592986458 OGZVFLWALAALNQ-MRXNPFEDSA-N 293.366 3.949 30 20 CHED C=CCn1c(=S)n(CN(C)C2CCC2)c2ccccc21 742172496 AULJPMBQNPVWLG-UHFFFAOYSA-N 287.432 3.800 30 20 CHED COc1cc(C(C)=NNc2cc(C)ccc2C)ccc1O 916346756 SKXLQWDRJZMQOA-UHFFFAOYSA-N 284.359 3.854 30 20 CHED C=C(C)CONC(=O)N[C@@H](C)c1cc2ccccc2s1 845595610 NKSISTBRQFQMMW-NSHDSACASA-N 290.388 3.769 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(C2CC2)cc1 598825576 WLQBFGCVULZVCP-KRWDZBQOSA-N 270.376 3.622 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 915339842 MEXWVIMRCSGZIL-VWNJHIHFSA-N 282.387 3.614 30 20 CHED C#CC1CCN(C(=O)CCCCc2ccc(C)cc2)CC1 843707881 KAPZSQHWLZISFM-UHFFFAOYSA-N 283.415 3.580 30 20 CHED CCC1(CNC(=O)C(C#N)(CC)CC)CCCCC1 599760728 RHABUQGOBFUBST-UHFFFAOYSA-N 264.413 3.793 30 20 CHED N#CCCCCOC(=O)CCCC1CCCCC1 914597890 LZUHRBKZMPNNKH-UHFFFAOYSA-N 251.370 3.974 30 20 CHED N#CC[C@@H]1CCCN(Cc2nc3ccc(F)cc3s2)C1 597177466 MSNIPHANOJHGLT-NSHDSACASA-N 289.379 3.561 30 20 CHED Cc1ccc(C2(C(=O)N3CCC[C@@](C)(C#N)C3)CCC2)cc1 591777793 BQPQQJPZFABKHF-SFHVURJKSA-N 296.414 3.569 30 20 CHED CC[C@@](C)(NCCc1ccc(C#N)cc1)c1nc(C)cs1 595383513 XAVLGOQUAYHHEK-QGZVFWFLSA-N 299.443 3.781 30 20 CHED C=CCOC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 917296167 JXSJOSXAZAVKFL-CYBMUJFWSA-N 262.349 3.615 30 20 CHED C/C(=C\C(=O)[C@H](C#N)C(=O)Nc1cccc(C)c1)C(C)(C)C 744028372 HMXXXKHNMIXPGC-VOMSXAGXSA-N 298.386 3.635 30 20 CHED Cc1cccc2[nH]c(CN(CCC#N)Cc3ccco3)cc12 596978034 RYPMNGMXKXZKPR-UHFFFAOYSA-N 293.370 3.985 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1cccs1 45027052 HGVJPTUCKQCQBM-JTQLQIEISA-N 271.345 3.502 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1ccc(N(C)C)cc1 840785109 GDFWSJNNUIVKSL-INIZCTEOSA-N 273.424 3.733 30 20 CHED C=C(Br)CSc1ccc(COC)cc1 747813901 PHPYMPWHWSPLCU-UHFFFAOYSA-N 273.195 3.834 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ccncc1 917872353 IQWGOXDJVLLXSS-CQSZACIVSA-N 262.397 3.808 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1CCc2cc(F)ccc21 590574416 WKYICKNRAOOQGV-OAHLLOKOSA-N 267.307 3.500 30 20 CHED C=C[C@H](CC(=O)O[C@H]1CCC(C)(C)C1=O)c1ccccc1 840381414 DIHCZVXBQJTYDH-HIFRSBDPSA-N 286.371 3.647 30 20 CHED N#Cc1ccc(CCN[C@@H](Cc2ccccc2)C2CC2)cc1 595057840 XUDQKQMMXURUEE-FQEVSTJZSA-N 290.410 3.712 30 20 CHED CC1=C(C)C[C@@H](C(=O)OCC2(C#N)CCCC2)CC1 842757228 UOFLXWLYSMPFMF-AWEZNQCLSA-N 261.365 3.750 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](C)c1ccc(Cl)cc1 845333240 AYZXAMUREQVSJE-NSHDSACASA-N 280.751 3.522 30 20 CHED C=CCCCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC 595031916 FCFLIFRWKPDTJE-LBPRGKRZSA-N 278.352 3.610 30 20 CHED CCOC(=O)c1ccc(S[C@H](C)CCC#N)c(F)c1 592361599 HSFQHSABGXWARB-SNVBAGLBSA-N 281.352 3.787 30 20 CHED COCCON=Cc1sc2ccccc2c1Cl 748791556 JRZUZHUFILPTJG-UHFFFAOYSA-N 269.753 3.552 30 20 CHED COc1cccc([C@H](C)N2CCC(CCC#N)CC2)c1 592135590 YXDFQSRVRXHYCC-AWEZNQCLSA-N 272.392 3.772 30 20 CHED COCc1ccc(C=NNc2ccc(Cl)cc2)cc1 741758698 AKXCRUYNSRKDPX-UHFFFAOYSA-N 274.751 3.932 30 20 CHED CC1(C)C(=NNc2cc(F)c(F)cc2F)[C@H]2CCCO[C@H]21 743440786 YOBUTUMTKUEXFZ-XLKFXECMSA-N 298.308 3.707 30 20 CHED C[C@H](NC1(C2CCC2)CC1)c1ccc(C#N)cc1F 593723197 SBKBHKWGAJQSGF-NSHDSACASA-N 258.340 3.681 30 20 CHED C#CCC/N=C(/NCc1ccc(C)cc1)Nc1ccccc1 849078482 YQUBMSXVAGJWPZ-UHFFFAOYSA-N 291.398 3.576 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cnc(C(C)(C)C)nc1)C2 840717329 PPXRYNKEHCIQAW-NVNXTCNLSA-N 292.382 3.905 30 20 CHED C=C[C@H](C)ONC(=O)c1cccc(NCC(C)(C)C)c1C 846663508 WGISFJPKPWSDFX-LBPRGKRZSA-N 290.407 3.689 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O 756790207 MJQRBVHZOGQNQY-CHWSQXEVSA-N 291.391 3.574 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccoc3C)no2)cc1 685694265 OFACHRGETFYSAD-UHFFFAOYSA-N 282.299 3.870 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cc2ccc(C)cc2o1 754980656 UCMRNPKMRLEPDL-ZDUSSCGKSA-N 273.332 3.518 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cccc(F)c1 920386122 QPEWJVKMGKAIDJ-GFCCVEGCSA-N 256.324 3.901 30 20 CHED C=C[C@@H](OC(=O)C1CCSCC1)c1ccccc1 851453972 VWGGITDNMZSYHS-CQSZACIVSA-N 262.374 3.600 30 20 CHED C(=NO[C@@H]1CCCCO1)c1cnc(-c2cccs2)s1 755825498 WPOPTCGFYMKBGM-GFCCVEGCSA-N 294.401 3.749 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1F 851211649 AWJOKCONLPHVSJ-NSHDSACASA-N 263.312 3.619 30 20 CHED C=CCCCNC(=O)N[C@H]1CCc2ccc(Cl)cc21 858407187 FNPSUXDETNHBHW-AWEZNQCLSA-N 278.783 3.593 30 20 CHED C=CC[C@@H]1N(C(=O)c2cnc(F)c(C)c2)CCCC1(C)C 857613185 NXFAGEVIAKRKJG-AWEZNQCLSA-N 290.382 3.736 30 20 CHED C=CCC[C@H](NCc1cccc(Cl)c1Cl)C(=O)O 756387240 KGHKLYBQPWJORW-NSHDSACASA-N 288.174 3.502 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C(C)=C(C)C)cc1 751195980 WGKGRSHJKJOUQT-UHFFFAOYSA-N 286.375 3.688 30 20 CHED CCn1nccc1/C=C1/CCc2c(Cl)cccc2C1=O 758041060 VMVCPXOZTZXPLQ-KHPPLWFESA-N 286.762 3.769 30 20 CHED C#Cc1cccnc1N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 853356858 ZJWZUHDQBCJTIV-CJNGLKHVSA-N 280.346 3.584 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CCCC12CCCCC2 758285511 PGEXMCQUOZONMV-UHFFFAOYSA-N 285.347 3.770 30 20 CHED Cc1cc(/C=C\C(=O)c2ccccc2O)cc(C)c1O 757475227 QOQGNDJHJYZYKO-FPLPWBNLSA-N 268.312 3.611 30 20 CHED C#CC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 757582273 ZHHNZLGHKWYBEC-QGZVFWFLSA-N 288.350 3.662 30 20 CHED CC(C)CN(CCC#N)Cc1nsc2ccccc12 851778391 IVJRIZRHIHZZIQ-UHFFFAOYSA-N 273.405 3.668 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(OCC(=O)OCC)cc1 757911364 AIUFFNWNYSPRAE-KBPBESRZSA-N 291.391 3.641 30 20 CHED CC(C)c1cccc(C(=O)O[C@H](C)C(C)(C)C#N)c1 850905867 CIGGWYYIVGFTDX-GFCCVEGCSA-N 259.349 3.905 30 20 CHED N#Cc1cnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 759137521 VJJDXOSEMYOOJE-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C#C[C@](C)(CC)NCc1coc(-c2ccc(Cl)cc2)n1 852098315 JSOBAJRQQJGDJC-MRXNPFEDSA-N 288.778 3.887 30 20 CHED N#Cc1cc(C(=O)O[C@H]2COc3ccccc32)ccc1Cl 754365150 KSKOAMQIMOWWOL-HNNXBMFYSA-N 299.713 3.502 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1F 756257085 CSKPGMWWEXOWNE-KXFIGUGUSA-N 287.240 3.872 30 20 CHED C#CCCCCNC(=O)Nc1ccc(OCCC)c(F)c1 861634650 PDDNOCAZDSEGDD-UHFFFAOYSA-N 292.354 3.540 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@H]2CCC2CCCC2)nc1 768330000 KFJKAYGDJADCIS-KRWDZBQOSA-N 296.414 3.638 30 20 CHED CC(=NNc1nc(C(F)(F)F)cs1)C(F)(F)F 761811534 UUXWPFSVCIKKMF-UHFFFAOYSA-N 277.193 3.512 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)c2cccc(F)c2F)c1 766670108 BDEIJMPTCMWXRW-XPAGJJBOSA-N 291.297 3.859 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2ccc(Cl)cc2)c1 766503677 XUZBIOUFYCYXCP-DAXSKMNVSA-N 290.702 3.616 30 20 CHED CC(C)n1cccc1C(=O)O[C@H](C)c1cccc(C#N)c1 764612124 GDFXKLJJBAFBGO-CYBMUJFWSA-N 282.343 3.859 30 20 CHED C#C[C@H](C)N(C)C(=O)CC(c1ccccc1)c1ccccc1 767252990 UDJGVVRCWRQMIU-INIZCTEOSA-N 291.394 3.689 30 20 CHED C=C(C)COC(=O)c1ccc(Cl)cc1Br 761057603 TVUZYKLBDCVRGX-UHFFFAOYSA-N 289.556 3.835 30 20 CHED C#CCCCOC(=O)C1(c2ccc(F)cc2F)CCCC1 760967813 LCHNYOCEKSPGEI-UHFFFAOYSA-N 292.325 3.733 30 20 CHED Clc1nccnc1NN=CCC[C@H]1C[C@H]2CC[C@H]1C2 768777072 LEJMRFLWNUPCOR-WOPDTQHZSA-N 278.787 3.744 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(C)cn2)CCCC1(C)C 767218372 GTMBDHXEYPDXSI-HNNXBMFYSA-N 272.392 3.597 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1cc(F)ccc1F 768738083 HEPBAIPVZQYHCR-UHFFFAOYSA-N 295.329 3.771 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H](C)Cc1cccs1 933495693 ZVULVLPDCDDCBK-QWHCGFSZSA-N 265.422 3.645 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)OCCCC#N 860329860 JAJHSIZFYBZYFD-UHFFFAOYSA-N 269.300 3.716 30 20 CHED COc1ccc2oc(C(=O)OCC3(C#N)CCC3)c(C)c2c1 768099941 XAQHGBKSWDYNOI-UHFFFAOYSA-N 299.326 3.601 30 20 CHED C[C@H]1CC[C@@H](C(=O)N(C)c2ccc(C#N)c(Cl)c2)C1 876167010 IKTFIPIDFWTNSH-WDEREUQCSA-N 276.767 3.611 30 20 CHED CC(C)(C)c1cc(N2CCC[C@@H](CC#N)C2)nc(Cl)n1 872594050 LNMGAISAZSGPTM-NSHDSACASA-N 292.814 3.558 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CCc2ccc(F)cc21 776192471 KDKBYTCSDJEXKF-JYRVWZFOSA-N 268.287 3.744 30 20 CHED C=CCN(CCc1ccco1)C(=O)CCCCCC 778984934 NTANOUDOPWRRNM-UHFFFAOYSA-N 263.381 3.807 30 20 CHED N#CCc1ccc(COC(=O)/C=C\c2cccc(F)c2)cc1 776114428 PCRBXXHXLPPNGG-HJWRWDBZSA-N 295.313 3.648 30 20 CHED C#CCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 776852019 PWJVFKDEJPXOMC-KSZLIROESA-N 253.389 3.668 30 20 CHED CN(Cc1cscc1Br)[C@@H]1CC[C@@H](C#N)C1 880360299 TWSCQOOOGDXKJA-MWLCHTKSSA-N 299.237 3.635 30 20 CHED CC/C(C)=C/C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887700743 YFKYHXNEUGIZEC-WYMLVPIESA-N 282.387 3.621 30 20 CHED CC(=O)c1csc(C(=O)O[C@@H](C#N)C2CCCCC2)c1 776388279 SUWLVSVNGKRVQW-ZDUSSCGKSA-N 291.372 3.580 30 20 CHED C=C1CCC(C(=O)N(C)[C@@H]2CCc3ccccc32)CC1 887884290 QOHHYRCEEBHVAY-QGZVFWFLSA-N 269.388 3.879 30 20 CHED COC(=O)c1coc(/C=C2/C(=O)c3ccccc3C2(C)C)c1 774127158 RVCDOGIAAIPPCD-DHDCSXOGSA-N 296.322 3.624 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C\c1cccc(O)c1)C2=O 788735187 FKKBQOLKNPUTLL-YVLHZVERSA-N 294.350 3.958 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NN[C@@H]1CCOC(C)(C)C1 780251681 CKFGIGMXEUAENM-RBSFLKMASA-N 280.456 3.982 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1CNc2ccccc21 1122374350 NDXDPYVUYRMNQV-LSDHHAIUSA-N 284.403 3.543 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C1CCC(C)(C)C1 783835184 GPKVXIBOKMYNSC-UHFFFAOYSA-N 277.324 3.581 30 20 CHED C#CCCCNCc1ccc(Oc2ccc(OC)cc2)cc1 784569360 BLKXJEDPVNEZGY-UHFFFAOYSA-N 295.382 3.991 30 20 CHED CC1(C)C[C@H](NN=Cc2ccc(C(C)(C)C)cc2)CCO1 780250511 PQZNRBHHLUHVQM-MRXNPFEDSA-N 288.435 3.865 30 20 CHED CCC[C@H](NC(=O)C(C#N)(CC)CC)C1CCCC1 1129757541 HBEQKRBYNUTJQZ-AWEZNQCLSA-N 264.413 3.791 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](c2ccncc2)C2CC2)C1 898999766 DUOYYEFZZARNCL-PBHICJAKSA-N 299.418 3.530 30 20 CHED CN(C)[C@@H]1CCCC(=NNc2nc3ccccc3s2)C1 788409825 YPEDUYZIRBPHAM-GFCCVEGCSA-N 288.420 3.568 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1scnc1C 783880424 IMRJBGRFTNTLIU-UHFFFAOYSA-N 290.779 3.813 30 20 CHED C[C@H](c1cccs1)N(C)c1cc(C#N)sc1[N+](=O)[O-] 891888344 GFXZEHHNFKGFJB-MRVPVSSYSA-N 293.373 3.787 30 20 CHED C=C1CCC(C(=O)Nc2cnn(CC(C)C)c2CC)CC1 897228762 RLBPQORJLZRGCD-UHFFFAOYSA-N 289.423 3.786 30 20 CHED CCCCCCCCC(=O)Nc1ccc2c(c1)NC(=O)C2 895327967 FKXJXRAUHRGQRF-UHFFFAOYSA-N 288.391 3.870 30 20 CHED C#CCC1(c2nc(Cc3ccccc3)no2)CCCCC1 788095651 HBEBQHGHEZMXMJ-UHFFFAOYSA-N 280.371 3.886 30 20 CHED O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H](F)C(F)(F)F 788123299 FQJQYATXIRNMJN-SSDOTTSWSA-N 289.150 3.544 30 20 CHED COCC(=NNc1c(F)cccc1F)C1CCCC1 780228111 WECVCUVXLBWPKT-UHFFFAOYSA-N 268.307 3.569 30 20 CHED COc1ccc(NC(=O)c2ccc(C#N)o2)c2ccccc12 1132115406 UURGSNFQPPIZRM-UHFFFAOYSA-N 292.294 3.565 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1c(F)cccc1F 275013770 XTDBFUFGHAOVPW-UHFFFAOYSA-N 280.318 3.509 30 20 CHED CCC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 1131202600 HAOXSLKRLONSMD-UHFFFAOYSA-N 296.301 3.542 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)ccc2Cl)cc1C#N 799330714 JJEODWIIYFPOLA-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCC(CC=C)C(=O)Oc1cc(F)c(F)cc1C 791401334 APCDTQLZUOCDBZ-UHFFFAOYSA-N 266.287 3.947 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Oc1ccc(C#N)cc1OC 792864349 AXMFGERQXDOCMM-KBPBESRZSA-N 287.359 3.689 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1cccc(Cl)c1 796891094 RBDXLIDOFGFKPL-QMTHXVAHSA-N 265.740 3.884 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(C)ccc2O)c1F 799891325 CNWGFAXMBQHGHZ-VQHVLOKHSA-N 286.302 3.744 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1cccc(Cl)c1 187517575 HFRDBVDFKZRCOH-UHFFFAOYSA-N 292.810 3.813 30 20 CHED CCc1cccc(NC(=O)/C=C\c2ccccc2C#N)c1 799546082 MWFLGDVFHCHGBD-KHPPLWFESA-N 276.339 3.773 30 20 CHED C=CCC(C)(C)C(=O)O[C@H](C)c1cccc(C#N)c1 796461201 AXHRDTYXVMIOTP-GFCCVEGCSA-N 257.333 3.765 30 20 CHED C=CCCCOC(=O)COc1ccc(Cl)cc1Cl 735524012 VYPKILASMGLMCS-UHFFFAOYSA-N 289.158 3.882 30 20 CHED COc1ccccc1CON=C1CCC2(CC1)CC2 799118482 IBBFKPOXHTYCFC-UHFFFAOYSA-N 259.349 3.922 30 20 CHED O=C(/C=C\c1ccsc1Cl)c1ccc(O)cc1O 790221580 CVWWAZGMTOPKPB-RJRFIUFISA-N 280.732 3.709 30 20 CHED CCN(c1nc(C(F)(F)F)ccc1C#N)C1CCCC1 78833952 UOCHRNYHRDLHFZ-UHFFFAOYSA-N 283.297 3.741 30 20 CHED CC(C)CON=CCN(C(=O)OC(C)(C)C)C(C)(C)C 794523184 KDTVRMCNKAQABO-UHFFFAOYSA-N 286.416 3.680 30 20 CHED C[C@@H](OC(=O)[C@H]1Cc2ccc(F)cc21)c1cccc(C#N)c1 796074516 PRJGYTGBXXTDPJ-DIFFPNOSSA-N 295.313 3.641 30 20 CHED CCc1cccc(C)c1NN=Cc1cccnc1C 799495081 OTPYZPNCVVDIML-UHFFFAOYSA-N 253.349 3.707 30 20 CHED C#CCN(Cc1ccnn1C(C)C)[C@@H]1CCc2ccccc21 792763609 WECVFXCYTCWKIR-LJQANCHMSA-N 293.414 3.587 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)c1ccc(OC)cc1 799303106 BLHJDEIFOOPGAF-UHFFFAOYSA-N 294.354 3.542 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1cc(C(=O)O)sc1C 692255093 RASCGYFCTZHOLP-JSGCOSHPSA-N 293.432 3.979 30 20 CHED C[C@@H]1CC(Nc2ccc([N+](=O)[O-])cc2C#N)C[C@@H](C)C1 84438997 ODTONDLGCVDGKK-QWRGUYRKSA-N 273.336 3.703 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCN(Cc2ccccc2)C1 695864612 NEIDCQKVIMVZJZ-FUHWJXTLSA-N 299.462 3.569 30 20 CHED Cc1cc(SCC(=O)c2cc(C)n(C)c2C)ccc1C#N 1166393217 MUKASCUDJVRKDB-UHFFFAOYSA-N 298.411 3.797 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1c(C)nc2sccn12 1317993311 XYETZOODOVAJHG-NSHDSACASA-N 298.415 3.779 30 20 CHED CCC[C@H](NC(=O)c1csc(C#N)c1)C(C)(C)C 1324805309 AXLANBAEEJOCKM-LBPRGKRZSA-N 264.394 3.564 30 20 CHED N#CC[C@H](Cc1nnc(C2CCC2)o1)c1ccccc1 1326106501 MIKJYTPJQRLFQK-CQSZACIVSA-N 267.332 3.577 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1Cc1ccc(C#N)s1 1331108793 AIQDOAWPWZRZTO-NSHDSACASA-N 286.375 3.878 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H]1CCc2ccccc21 1338806589 MMOARSUMTWFYKM-BXUJETTOSA-N 281.355 3.550 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCOC2(CCC2)C1 1330797933 FKRFWBKLHXUEHB-OAHLLOKOSA-N 281.440 3.812 30 20 CHED C=C[C@@H](COC)N[C@H](CC)c1cccc(Br)c1 1338114314 YWQFSBFRVZMDQR-UONOGXRCSA-N 298.224 3.691 30 20 CHED C=CC[C@H](CC)NC(=O)C1(Sc2ccccc2)CC1 1256512984 CNUYIWQAHGQYQH-ZDUSSCGKSA-N 275.417 3.782 30 20 CHED C=C(C)CCC(=O)N[C@H](COC)c1ccc(Cl)cc1 1335892930 FELXYRLJGDXGBA-CQSZACIVSA-N 281.783 3.500 30 20 CHED CCc1cccc2c1N(C(=O)c1csc(C#N)c1)CCC2 1261319472 BFSRHJZIQROHHE-UHFFFAOYSA-N 296.395 3.775 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccccc1F 1346236638 BWFXQQAJKIWABH-GFCCVEGCSA-N 262.328 3.788 30 20 CHED C=C(C)Cn1c(-c2ccsc2)nnc1N1CCCCC1 1342369005 YGWXRGBJBYXXQP-UHFFFAOYSA-N 288.420 3.573 30 20 CHED Cn1c(Cl)cnc1[C@H](C#N)C(=O)CCCC1CCCC1 1346096148 NCRKNUAPEACADK-GFCCVEGCSA-N 293.798 3.610 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1CCC[C@@H]1OC 1353680088 SZKGNZQNZSAKNW-HOCLYGCPSA-N 273.376 3.559 30 20 CHED C[C@@H]1C[C@H](OC(=O)c2cccc(C#N)c2)CC(C)(C)C1 1287290556 VSRXSNGOMGDIEP-DOMZBBRYSA-N 271.360 3.930 30 20 CHED CCC[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 1514731411 VVAKIHGDZMTSOA-INIZCTEOSA-N 284.403 3.892 30 20 CHED Cc1ccc2oc(-c3ccc(NC(=O)CC#N)cc3)nc2c1 1455980710 BAHGRESUHABOQY-UHFFFAOYSA-N 291.310 3.655 30 20 CHED C=C(CC)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 1528030515 ORVSOOREZFYABS-UHFFFAOYSA-N 270.332 3.863 30 20 CHED C=C(CC)C(=O)Nc1cc(NC(=O)CC)ccc1Cl 1520819094 PINOMNNNLJPJKY-UHFFFAOYSA-N 280.755 3.593 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 1603640406 FSPDYZIAOBXZLN-LSDHHAIUSA-N 297.439 3.696 30 20 CHED CC1(C)CCC(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 1535868984 XOFBBDASYVRNDX-UHFFFAOYSA-N 292.329 3.991 30 20 CHED Cc1c(Cl)cccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1535478537 FLTONBUPPJSLMX-VXGBXAGGSA-N 277.751 3.888 30 20 CHED CCc1cccc(CNc2ccc(CC#N)cc2)c1 1473945405 LUVRKXCREYXHCQ-UHFFFAOYSA-N 250.345 3.927 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2c3ccccc3CCC[C@@H]2C)n1 1472752210 HKRNGHTVBWZXGM-SGTLLEGYSA-N 292.386 3.782 30 20 CHED Cc1cc(N[C@H](Cc2ccccc2)C2CC2)ncc1C#N 1611980096 SPNLDELCKPMPOZ-QGZVFWFLSA-N 277.371 3.695 30 20 CHED CN(CC1(c2ccccc2)CC1)c1cccc(F)c1C#N 1472757501 QZUPTORCPRNRGO-UHFFFAOYSA-N 280.346 3.865 30 20 CHED CN(c1cccc(C#N)n1)C1CCC(C(C)(C)C)CC1 1611880142 UMUWLULDPYTKRB-UHFFFAOYSA-N 271.408 3.994 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CN[C@H](C)CC(C)(C)C#N 1474477337 LTRPIAXUEDCODK-KBXIAJHMSA-N 250.430 3.977 30 20 CHED C=C[C@H](C(=O)N1CCCC[C@H]1C(F)F)c1ccccc1 1548700941 HVTGRPZRYNJIOH-KBPBESRZSA-N 279.330 3.602 30 20 CHED CC[C@H]1CCC[C@@H]1CNc1ncc(C#N)cc1Cl 1559193021 PEUHQKFZZJQINW-NWDGAFQWSA-N 263.772 3.845 30 20 CHED N#Cc1cccc(Br)c1N[C@H]1CCC[C@@H]2C[C@H]12 1559209738 MCVMCVLLDYUINF-CDMKHQONSA-N 291.192 3.921 30 20 CHED C#CCCCCC(=O)N(C)CCCCc1ccccc1 119635636 CLUNOBPVAKKXSB-UHFFFAOYSA-N 271.404 3.661 30 20 CHED C=C1CCC(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)CC1 1573344397 VYXLDIGUKYZVGK-UHFFFAOYSA-N 293.750 3.723 30 20 CHED C=CCC[C@H](CCC)NCc1cc(C)c(C(=O)O)o1 1588777772 JQNLMUPSRWPLLA-LBPRGKRZSA-N 265.353 3.511 30 20 CHED CC(C)c1ccoc1C(=O)Nc1cc(C#N)ccc1F 1583534065 AAQLAIHDUOWCLF-UHFFFAOYSA-N 272.279 3.666 30 20 CHED C=CC[C@@H](C)Sc1cccc(Cl)c1-c1nn[nH]n1 1588539734 XKXPDMPGOSPQSO-MRVPVSSYSA-N 280.784 3.577 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@@H](C)c2ccccc2)c1 1672285025 ACANETGQYCNXCR-CQSZACIVSA-N 293.370 3.792 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](C#N)C2)CC1 1680353314 ZWKUYIAVWXBVIZ-XHSDSOJGSA-N 291.439 3.536 30 20 CHED CC[C@H](C)[C@H]1CCC(=NNc2ccc(C(=O)O)cc2)C1 1776012814 PGZFVDFRBSOLQE-AAEUAGOBSA-N 274.364 3.999 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2ccccc2C2CC2)C1 1776155735 SNIJKNOUTUFAFD-LJQANCHMSA-N 299.414 3.807 30 20 CHED C=CCC1(C(=O)O)CCN([C@@H](C)c2ccc(F)cc2)CC1 1776157484 PTAWBAORGGWJNJ-ZDUSSCGKSA-N 291.366 3.630 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 150740242 GCVILLUEPDFYEI-JKSUJKDBSA-N 293.451 3.712 30 20 CHED CCC(CC)(CC)CNC(=O)c1c(F)cc(C#N)cc1F 150895811 QTWHYVQVPRILTD-UHFFFAOYSA-N 294.345 3.783 30 20 CHED C=C(C)CNC(=O)c1ccc(OC)c(-c2ccccc2)c1 161177144 PGQFMAVDAFDQBN-UHFFFAOYSA-N 281.355 3.668 30 20 CHED Cc1ccc([N+](=O)[O-])c(OCc2ccc(C#N)cc2C)c1 165556740 NOZKVSLUSJZTOD-UHFFFAOYSA-N 282.299 3.662 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)OCO2 153292756 GQZGIYYGTZYGNL-UHFFFAOYSA-N 290.363 3.625 30 20 CHED CC[C@@H](S[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 156596574 GBTGJIZNKGJUTR-UKRRQHHQSA-N 290.432 3.631 30 20 CHED COc1cc(C(=O)/C=C\c2cc(F)ccc2F)ccc1O 207700101 IVFSKACRJMMTRC-KXFIGUGUSA-N 290.265 3.575 30 20 CHED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccccc1 209232968 ONPMXFULLATLBO-FPLPWBNLSA-N 282.730 3.884 30 20 CHED N#Cc1ccc(CNC2CC3(CCCC3)C2)c(F)c1 924980140 OLAWPYGTTWWDDA-UHFFFAOYSA-N 258.340 3.510 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccsc1Cl 1126856634 ANBWAGIUWKXWRD-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C#C[C@@](C)(CC)NCc1csc(-c2ccsc2)n1 852099061 CPRQBEWMFFPBCK-AWEZNQCLSA-N 276.430 3.763 30 20 CHED C#CCCCCC(=O)NCc1ccc(SCC)cc1 881488175 SVYXJVHPQMSDIG-UHFFFAOYSA-N 275.417 3.608 30 20 CHED N#CCOc1ccc(N[C@@H]2CCc3ccccc32)cc1 20126496 DIVAAIZNPVQOER-QGZVFWFLSA-N 264.328 3.688 30 20 CHED N#Cc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 35255701 ZSBDNOULCNEEFK-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C#CCCCCN[C@@H]1CCc2ccc(Br)cc21 310306973 RSQJHTSPKUUGMN-OAHLLOKOSA-N 292.220 3.830 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 513631294 ZCQSXSGIGRPIRQ-RSLMWUCJSA-N 275.783 3.843 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H](C(C)C)C1 614923113 UELZUNBCPGIOCJ-INIZCTEOSA-N 256.393 3.735 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)cc2)n1 331669996 NSRGFQKRGAMPAY-BXUZGUMPSA-N 267.332 3.902 30 20 CHED N#CC1(c2ccccc2)CC(Nc2ccc(F)cc2)C1 86036060 GMISVGUWNYEUCV-UHFFFAOYSA-N 266.319 3.862 30 20 CHED C=C(CC)CN(Cc1ccccc1)C[C@H]1CCCO1 538001984 HHWUZPGGNMXOOA-QGZVFWFLSA-N 259.393 3.634 30 20 CHED CCN(Cc1ccc(C)cc1)c1nccc(C)c1C#N 544066262 OYSZASHCAIRPLB-UHFFFAOYSA-N 265.360 3.597 30 20 CHED N#CCc1ccc(NC(=O)c2cccc(F)c2Cl)cc1 90866091 PEBFJCAEOVZNRG-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CC(C)CN(CCC#N)CC(C)(C)c1ccccc1 686739461 DIEFJFHLNXWRCL-UHFFFAOYSA-N 258.409 3.836 30 20 CHED Cc1csc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 380942949 YLFBSUKWYWENAE-CYBMUJFWSA-N 286.400 3.810 30 20 CHED N#Cc1c(F)cccc1OC[C@H]1CCCC1(F)F 381562898 WQYJKBFMEJDIQD-SECBINFHSA-N 255.239 3.512 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2cc(C#N)cc(Cl)n2)CCO1 721832600 KQUVVOLLNVAMGX-VXGBXAGGSA-N 293.798 3.612 30 20 CHED N#Cc1ccc(Oc2ccc(Br)cn2)cc1 42389075 GQMVDXDTZZYSLG-UHFFFAOYSA-N 275.105 3.508 30 20 CHED CC(C)(C)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 538728634 MRVLXQHIZVVEBE-CVEARBPZSA-N 256.393 3.804 30 20 CHED CCSc1ccccc1C(=O)Nc1ccc(C#N)cc1 7068956 KMMANVKANDJCPB-UHFFFAOYSA-N 282.368 3.923 30 20 CHED Fc1ccc(CNC(=S)NN=C2CCCCCC2)cc1 7754783 KACUVRMBAFWHPH-UHFFFAOYSA-N 293.411 3.500 30 20 CHED N#Cc1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1 10406252 GIQXKPMAAFYAFU-UHFFFAOYSA-N 285.730 3.750 30 20 CHED C[C@H]1CCC[C@H](C)N1Cc1cn2ccccc2c1C#N 342341406 UPLLRZXLGSGZEM-KBPBESRZSA-N 267.376 3.574 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)c1)c1ccccc1F 50281110 DDNCOZARCSDXHF-NSHDSACASA-N 269.275 3.615 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)NCCCCC#N)cc1 174725618 IVMWVQOEYUIKFO-KRWDZBQOSA-N 299.418 3.926 30 20 CHED C#Cc1cccc(N(C)C(=O)C(C)(C)c2ccc(F)cc2)c1 103029544 KIGZADQNCTUXOO-UHFFFAOYSA-N 295.357 3.748 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(CC)cccc1CC 116997453 IIDUDFFKMKZWSQ-LBPRGKRZSA-N 260.381 3.898 30 20 CHED C=CCN(C(=O)c1cc(F)cc(F)c1)c1ccccc1 60525653 IYPPJRMNAXAISG-UHFFFAOYSA-N 273.282 3.798 30 20 CHED N#Cc1ccccc1SCc1cccnc1Cl 173720250 LKNGOUXCYNRJGX-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2ccc(CC#N)cc2)cc1 179983046 HIBXHLAMAPTOEY-HNNXBMFYSA-N 292.382 3.878 30 20 CHED CC(=O)c1ccc(C#N)c(NCCc2ccccc2C)c1 302079185 BGAQQRPAGGEVEC-UHFFFAOYSA-N 278.355 3.724 30 20 CHED CCCc1noc(CO/N=C(\C)c2cc3ccccc3o2)n1 174084518 DLJZLYZQTIZERE-WOJGMQOQSA-N 299.330 3.709 30 20 CHED C#CCCCN[C@@H](C)c1cccc(-c2ccncc2)c1 178062575 DIVVRYXNHMMQIF-HNNXBMFYSA-N 264.372 3.813 30 20 CHED C=CCCCC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 175725320 GMVREVRSSRWKFU-IAGOWNOFSA-N 271.404 3.870 30 20 CHED C#CCCCCC(=O)N[C@@H](c1ccccc1)C(F)(F)F 119684476 HNBPBIBRXHLESC-AWEZNQCLSA-N 283.293 3.600 30 20 CHED CC(C)CN1CC[C@H](CNc2c(Cl)cccc2C#N)C1 301620536 XRIASMNMHOIIJF-CYBMUJFWSA-N 291.826 3.601 30 20 CHED C=CC1CCN(C(=O)Nc2ccccc2OC(F)F)CC1 111708170 INGSTUGFUUNMNN-UHFFFAOYSA-N 296.317 3.718 30 20 CHED C=CCCCC(=O)N[C@@H](Cc1ccccc1OC)C(C)C 176516106 KGLKQTSEYDMMSO-INIZCTEOSA-N 289.419 3.735 30 20 CHED COc1cccc(/C=C2\Cc3ccc(F)cc3C2=O)c1 176411910 HXYBWSUSFDFILD-NTUHNPAUSA-N 268.287 3.657 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CCc2ccccc21 174376140 OVVKRUSFTZYUDN-OAHLLOKOSA-N 256.393 3.636 30 20 CHED CN(Cc1ccco1)c1c(C#N)cnc2c(F)cc(F)cc12 171819021 PWMPSEAFTFLSCA-UHFFFAOYSA-N 299.280 3.614 30 20 CHED COCc1ccccc1CNc1c(F)cc(C#N)cc1F 111142976 VASDBFFGCVQJHA-UHFFFAOYSA-N 288.297 3.595 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O 63411679 KEIIXHYBNIDICH-NTEUORMPSA-N 280.323 3.668 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2C)cc(C)c1F 179433472 WLOAJMSGHWGWHV-UHFFFAOYSA-N 282.318 3.875 30 20 CHED C=C[C@@H](CC(=O)NCc1ccc(C)cc1)c1ccccc1 122464205 UDAOJPGEDIPOKL-KRWDZBQOSA-N 279.383 3.971 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1ccc(Cl)cc1 37132994 KTGAKJZBVITDGZ-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1C 426572229 ABUDYEKYCINDHL-OAHLLOKOSA-N 275.392 3.553 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1c(F)cccc1Cl 210556135 JXVCXRCVCVVKPF-FPLPWBNLSA-N 292.741 3.726 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1coc2ccccc12 186421569 FJUFHQQXDUPBEI-FNORWQNLSA-N 267.259 3.863 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1coc2ccccc12 181992756 HMMBCVQCJNXJAP-CYBMUJFWSA-N 257.289 3.528 30 20 CHED CC(C)Cn1cc(CN[C@H](CCC#N)c2ccccc2)cn1 181810741 VMAKSRRUGSYTPL-GOSISDBHSA-N 296.418 3.674 30 20 CHED C[C@@H](NCc1cccc(F)c1)c1ccc(OCC#N)cc1 37246769 CMINWQAPROTPRB-CYBMUJFWSA-N 284.334 3.579 30 20 CHED N#CCCSCCOc1ccc(Cl)c(F)c1 413015595 UBFKMLSKGKYHBX-UHFFFAOYSA-N 259.733 3.505 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@](C)(C#N)CCc2ccccc2)C1 129376718 WTIMESQQKAMCOE-AYBZRNKSSA-N 298.430 3.844 30 20 CHED CC1(C)C[C@@H]1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 128360312 BTYSXNZEHLHLRC-KOLCDFICSA-N 297.185 3.720 30 20 CHED C[C@@H](NC[C@H]1CCc2ccccc21)c1cccc(C#N)c1 181734677 JYCPVYHASAXHHW-RDTXWAMCSA-N 276.383 3.939 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)CC1CC(F)(F)C1 410965247 JDUPKDZWKKHKIG-UHFFFAOYSA-N 298.720 3.780 30 20 CHED C=CCC[C@H](NC(=O)NOCC(C)C)c1ccccc1 123238639 RURPURRXLDJZAA-HNNXBMFYSA-N 276.380 3.581 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 75308303 ZENXDCVPOYAJEF-KBPBESRZSA-N 287.407 3.524 30 20 CHED CCCCCc1nnc(NCc2cc(C#N)cs2)s1 181546551 VLIUTHOJRQDJOE-UHFFFAOYSA-N 292.433 3.816 30 20 CHED COc1ccc(F)cc1[C@@H](C)NCc1ccc(C#N)cc1 37089812 KHMGZARRSMVPBM-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 185908023 GWMGRFGXHKOYOJ-PBHICJAKSA-N 296.414 3.876 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl 186111807 AUJJKFWAEZIVRB-SMDDNHRTSA-N 276.767 3.623 30 20 CHED Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)c(C)s1 32616391 SUWHSUPKUNXVCT-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1CCC(C)C 120327749 PRHFLSUFVLAVKE-ZIAGYGMSSA-N 252.402 3.561 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cccc(Br)c1 129192431 KGDSDFFDZWLYHJ-SNVBAGLBSA-N 281.197 3.649 30 20 CHED CC[C@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)CCO1 70358019 OKKFUCHXDNVCKC-HOTGVXAUSA-N 288.391 3.739 30 20 CHED CC(C)(C)[C@@H](NCCC#N)c1ccc(F)cc1F 411473530 KNNYRCHOFZPVCJ-ZDUSSCGKSA-N 252.308 3.555 30 20 CHED C=C(C)CCN[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 509607861 ZBTLDPAOQTXKBT-LBPRGKRZSA-N 289.354 3.801 30 20 CHED Cc1cccc([C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C)c1 181329858 ZDUZKGGHKUGZAO-INIZCTEOSA-N 295.386 3.712 30 20 CHED N#CCCN(Cc1csc(C2CCCC2)n1)CC1CC1 174698992 PTAJRKQUQOEHCK-UHFFFAOYSA-N 289.448 3.926 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 75276249 OEUCWVQCODKJIX-GJZGRUSLSA-N 292.382 3.848 30 20 CHED C=CC[C@@H](CC)NCc1csc(Br)c1 379532989 JVOWVNARUYRUSK-SNVBAGLBSA-N 274.227 3.955 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 188474623 LABMIIFHYZJJTK-KDOFPFPSSA-N 297.402 3.652 30 20 CHED CC(C)c1nnc(C/N=C(/O)C[C@H]2C[C@H]3CC[C@H]2C3)s1 329844152 PTFCGQONDLMZEN-SDDRHHMPSA-N 293.436 3.944 30 20 CHED COc1ccc(CC[C@@H](C)Nc2ncc(C#N)cc2F)cc1 413089125 WOIUOAWDWLKSDH-GFCCVEGCSA-N 299.349 3.534 30 20 CHED COc1cc(C#N)ccc1CN(C)C1CCCCCC1 501267459 YAXDASHKBUNMPP-UHFFFAOYSA-N 272.392 3.721 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CCC[C@H]1C)c1ccccc1 130487373 NKXUICXDADBIAW-IIAWOOMASA-N 257.377 3.651 30 20 CHED Cc1cccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)c1 48579024 WNIJOBYWRLIGHW-AATRIKPKSA-N 273.313 3.861 30 20 CHED C[C@@H](N[C@H](C1CCC1)C1CC1)c1ccc(OCC#N)cc1 324927647 MTXRJKRCSYUJSM-FZKQIMNGSA-N 284.403 3.818 30 20 CHED N#Cc1cccc(C(=O)N2CCCCc3ccccc32)c1 47975804 ZUUIRORBHWYHTD-UHFFFAOYSA-N 276.339 3.541 30 20 CHED C=C(Cl)COc1ccc(Br)cc1C(C)=O 47915364 QHKYBQVFBMZGRF-UHFFFAOYSA-N 289.556 3.783 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cccc(C#N)c1 341239976 GFIVXFYFVMZVBW-RYUDHWBXSA-N 259.353 3.504 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 429097791 RMRKQHGZXIUFBC-SECBINFHSA-N 287.190 3.930 30 20 CHED C=C(C)CNCc1ccc(Cl)cc1Br 160301182 WNYJVRUWZFFAME-UHFFFAOYSA-N 274.589 3.768 30 20 CHED COc1cc(C(C)=O)ccc1O[C@H](C)c1ccc(C#N)cc1 194623579 WREIIJWAWYVVRC-CYBMUJFWSA-N 295.338 3.909 30 20 CHED Cc1cscc1N=C(O)c1coc(C2CCOCC2)n1 328784691 IJCIUXNRFACKCK-UHFFFAOYSA-N 292.360 3.575 30 20 CHED C=CCn1c(SCCCF)nnc1-c1ccccc1 134730453 SAJABQOLQGRPNK-UHFFFAOYSA-N 277.368 3.583 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1)c1cccs1 48443718 LTFDBLPNRSTBPP-CYBMUJFWSA-N 270.357 3.501 30 20 CHED Cc1ccc(C#N)c(NC[C@H](C)COCc2ccccc2)n1 160786218 ONXVQDHTNNNHDS-AWEZNQCLSA-N 295.386 3.527 30 20 CHED Cc1ccc(-c2ccc(/C=C/C(=O)c3ccnn3C)o2)cc1 193052249 KXHXWVJXYDCKHE-VQHVLOKHSA-N 292.338 3.885 30 20 CHED CC(C)(C#N)CC[S@@](=O)c1cc(Cl)ccc1F 514683298 RUNBDHNCAAYHJD-QGZVFWFLSA-N 273.760 3.527 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 190940286 WNWHWFANQOTQSX-WMLDXEAASA-N 299.418 3.668 30 20 CHED C=CCCCC(=O)N1C[C@@H](C)Sc2ccccc21 88223301 JHOYTMZKWVBKEJ-GFCCVEGCSA-N 261.390 3.870 30 20 CHED COc1cccc2c1CC/C(=C\c1scnc1C)C2=O 194593541 IXOFRRBBKJNJEY-DHZHZOJOSA-N 285.368 3.673 30 20 CHED Cc1ccc([C@H]2[C@@H](C)CCCN2c2cncc(C#N)n2)cc1 420597436 IKYVPOOWJBSNBN-KBXCAEBGSA-N 292.386 3.634 30 20 CHED COc1ccc([N+](=O)[O-])cc1OCCCCC(C)(C)C#N 234853120 PTFZQUASICLBST-UHFFFAOYSA-N 292.335 3.702 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C)Cc1ccc(O)cc1 512262060 RELIZWFNMUJRBP-ZDUSSCGKSA-N 296.370 3.706 30 20 CHED CCc1occc1C(O)=Nc1cnc(C(C)(C)C)nc1 331175552 KYQGMQNSULSZBO-UHFFFAOYSA-N 273.336 3.566 30 20 CHED Cc1cc(-c2cccc(C(=O)O)c2)cc(C)c1C#N 519772173 KMTXBNUJMFLRLB-UHFFFAOYSA-N 251.285 3.540 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N[C@@H](C#N)C(C)C)c1 511731015 VVXCOQQDJHZVEN-PBHICJAKSA-N 286.419 3.653 30 20 CHED CCOC(C)(C)C/N=C(/O)c1coc(C2CCCCC2)n1 330434267 PQBNVZWCJKMKPY-UHFFFAOYSA-N 294.395 3.842 30 20 CHED CCOc1cc(C)ccc1NCCOc1ccc(C#N)cc1 511100077 UFKMKEVHEZCFQZ-UHFFFAOYSA-N 296.370 3.756 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H](C)c1cccs1 338149004 FSPSGLVCUGMDDQ-LBPRGKRZSA-N 284.384 3.761 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 334361199 BQMLXTZZTRCNDC-VXGBXAGGSA-N 275.314 3.534 30 20 CHED CC(C)COCCSCc1cccc(C#N)c1F 336973935 SQGKTZPKJKIZFA-UHFFFAOYSA-N 267.369 3.603 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(F)c(Br)c1 339472499 OHARELWGJRVHBL-VIFPVBQESA-N 297.171 3.543 30 20 CHED Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)o1 335195965 VLGZLGKVTCQRKW-QGZVFWFLSA-N 266.344 3.627 30 20 CHED Cc1ncc(N=C(O)c2sc(CC3CC3)nc2C)s1 330021798 YLPUWKDBJFHXCG-UHFFFAOYSA-N 293.417 3.805 30 20 CHED C=CCCCCCN(C)Cc1ccccc1NC(C)=O 93498064 BCAXTFBSONWDFN-UHFFFAOYSA-N 274.408 3.823 30 20 CHED Cc1ccnc(NCc2coc(-c3ccccc3)n2)c1C#N 343524422 HHMGQDWKNQILIY-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CCC(C#N)(CC)c1nc([C@@H]2CCC[C@@H](C)C2)no1 528113961 KENMYHNZFCVYSU-VXGBXAGGSA-N 261.369 3.945 30 20 CHED Cc1cc(CN2C[C@H](C)C[C@H]2c2cccnc2)ccc1C#N 347218033 HPIAXWPTXIBXBQ-KUHUBIRLSA-N 291.398 3.845 30 20 CHED C=CCCN(C)Cc1ccc(OC)c(OCC(C)C)c1 343477796 XAPUXRYCOIVIQS-UHFFFAOYSA-N 277.408 3.738 30 20 CHED CN(CCCOCc1ccccc1)Cc1cccc(C#N)c1 182194100 QJAKYUHKKZWJTF-UHFFFAOYSA-N 294.398 3.597 30 20 CHED C[C@H](CCC#N)CN1C[C@@H](c2ccccc2)C[C@H]1C 602476565 XPWIYDOXSPRSSI-INMHGKMJSA-N 256.393 3.804 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1 254956327 ACOGYMVJKDDYQI-YHYXMXQVSA-N 297.310 3.637 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(C#N)cc1)CC2 609289502 SWEHRXRJSWXMRY-KRWDZBQOSA-N 291.354 3.676 30 20 CHED COCC1(C#N)CCN([C@@H](C)c2ccc(Cl)cc2)CC1 341977645 MLIZYQHGBXECMW-ZDUSSCGKSA-N 292.810 3.653 30 20 CHED Cc1ccc(C=NOCc2c(F)cccc2[N+](=O)[O-])cc1 254968843 PRVXHNMSGGEESD-UHFFFAOYSA-N 288.278 3.593 30 20 CHED CC(=O)c1c(F)cc(F)cc1OCc1ccc(C#N)cc1 349141466 DHCMUQXLHKLKID-UHFFFAOYSA-N 287.265 3.618 30 20 CHED Fc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccccc1 254744721 VAZKCLAFKYKTIY-UHFFFAOYSA-N 298.346 3.629 30 20 CHED CSCC1CCC(N[C@H]2CCC[C@@H](C#N)C2)CC1 449421348 ILTJEKHPOCINQP-JYVUQVBGSA-N 266.454 3.580 30 20 CHED C=CCCCC[C@H](C)NCCc1cn2ccccc2n1 449220425 QENAGUAMYMQUOE-HNNXBMFYSA-N 271.408 3.601 30 20 CHED CCc1c(N[C@@H]2CC[C@@H](C#N)C2)cnn1C(CC)CC 442865882 VINFYWATESYFRG-CHWSQXEVSA-N 274.412 3.911 30 20 CHED C=CCN(CCC[C@@H](C)O)Cc1ccc(Cl)s1 354872615 QUEXUDJGQRGLAF-LLVKDONJSA-N 273.829 3.551 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)C1CCC1 602675331 MHVZYZOBPRUHLV-CQSZACIVSA-N 278.440 3.501 30 20 CHED CCC[C@@H]1CCc2ccccc2N1CC1(C#N)CC1 538348939 HZKNQICQSOJWSA-OAHLLOKOSA-N 254.377 3.912 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)OCC 534413636 NJNYMAATMMBKDX-CJNGLKHVSA-N 293.382 3.716 30 20 CHED C[C@@H](CN(C)CCCCC(C)(C)C#N)c1nccs1 444689403 NIGIAWJFDJKMDY-ZDUSSCGKSA-N 279.453 3.898 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@H](C)CC2)CC1 443573162 IXECGLZGIQKXNV-ZFWWWQNUSA-N 264.413 3.563 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCCC(F)(F)F 356023222 UHPWBZNAJFIORK-UHFFFAOYSA-N 292.345 3.897 30 20 CHED CC(C)(C)OCc1ccc(NC[C@@H](C#N)CCC#N)cc1 610612690 ZDKXXLQBGXLUES-OAHLLOKOSA-N 285.391 3.857 30 20 CHED COc1cc(CNCCCCc2ccccc2)ccc1C#N 619652471 PQNGNOGOZDSFCI-UHFFFAOYSA-N 294.398 3.679 30 20 CHED CC[C@H](C)n1ncc(NCc2ccc(C#N)cc2F)c1C 359806041 RXHLRPGZENIWCP-NSHDSACASA-N 286.354 3.785 30 20 CHED C=CCOc1ccc(CN2CC[C@](C)(F)C2)cc1Cl 537722308 PEFDNMHPAINWAI-HNNXBMFYSA-N 283.774 3.839 30 20 CHED CN(C(=O)CCc1ccc(Cl)cc1)c1ccccc1C#N 359211563 DDJJMUOJRVXLTN-UHFFFAOYSA-N 298.773 3.807 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@@H]2c2cccc(F)c2)c1 610505495 MPIQZCZZZAFZKD-QGZVFWFLSA-N 284.309 3.783 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC12CCC2 610740155 WNYMJYVKEOLBOK-ZDUSSCGKSA-N 283.375 3.509 30 20 CHED N#Cc1cccc(NC(=O)Cc2coc3cc(F)ccc23)c1 359048255 QOPWMISNTZBPRQ-UHFFFAOYSA-N 294.285 3.625 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](c1cccs1)C1CC1)OCC 533702354 DPLLODDIYMRLBH-CJNGLKHVSA-N 293.432 3.687 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)c1cc2ccccc2n1CC#N 610294806 VUMQJEGKLATBHW-KGLIPLIRSA-N 297.402 3.719 30 20 CHED Cc1nc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cs1 619755311 WRZCAWOKOXESMU-SECBINFHSA-N 291.807 3.827 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2sccc2[C@H]1C 268118178 AVOSHSKEMPXQOD-GFCCVEGCSA-N 275.417 3.962 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(C(C)(C)C)s1 610784266 WMLLBFLAFRQTIB-LLVKDONJSA-N 278.421 3.714 30 20 CHED CC[C@H](C)Oc1cc(CNCC(C)(C)C#N)ccc1OC 612584965 KSCVZCWNAANZKX-ZDUSSCGKSA-N 290.407 3.512 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1CC(C)C 539388509 NFLNECHOXSYKJI-HUUCEWRRSA-N 266.429 3.951 30 20 CHED CCCC(C)(C)NC(=O)NCc1ccc(C#N)c(Cl)c1 619827697 BCHUTZPSEMJWHK-UHFFFAOYSA-N 293.798 3.590 30 20 CHED C=CC(C)(C)C(=O)N(CC(=C)C)Cc1cnn(C(C)C)c1 451703280 JGHGGLZFPMULDB-UHFFFAOYSA-N 289.423 3.581 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc(Cl)cn1 618694627 XOAOCYHGMKHNLX-CQSZACIVSA-N 269.735 3.706 30 20 CHED C=C(C)CCNC(=O)[C@H](C)Sc1ccccc1Cl 452722940 LQQQIMRDSSXGGJ-NSHDSACASA-N 283.824 3.903 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(O[C@H](C)CC)c1 276296624 KSNWNSXNKPZRMV-CYBMUJFWSA-N 276.380 3.904 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccc(C#N)cc1 542545452 UYOPAUDGCVPJSB-XJIUQZFPSA-N 299.418 3.743 30 20 CHED C=CCCCC(=O)N(C)c1nc2ccccc2s1 360708252 RHTAFHJDIBDQIT-UHFFFAOYSA-N 260.362 3.615 30 20 CHED CC(C)c1ccc([C@H]2CCCN2C(=O)NC[C@H](C)C#N)cc1 543804087 LYEGSRFDLIOWFQ-RHSMWYFYSA-N 299.418 3.816 30 20 CHED CC(C)(C#N)CC(=O)OCc1cc2ccccc2s1 278743406 IYSIBUZHCLDUBT-UHFFFAOYSA-N 273.357 3.884 30 20 CHED CN(CC1(C#N)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 459696199 JVOKQBFHSMMTLQ-HZPDHXFCSA-N 254.377 3.558 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccnn1-c1ccccc1 453305989 IOSJOSLJBPFYSC-AWEZNQCLSA-N 269.392 3.735 30 20 CHED C=CCC1(C(=O)NCC(C)(C)c2ccccn2)CCCC1 452392671 ZCEUZWFCMGRJHY-UHFFFAOYSA-N 286.419 3.612 30 20 CHED C=C(C)CCNC(=O)C[C@@H](C)c1ccc(CC)cc1 452719797 UJQCOAHQCPJPRY-CQSZACIVSA-N 259.393 3.825 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 274375286 XGEVNGXUEIWLLX-IAGOWNOFSA-N 269.388 3.633 30 20 CHED C[C@@H](NC1(c2ccccc2)CC1)c1ccc(C#N)cc1 272054498 YLKLZFOIJJIGQH-CQSZACIVSA-N 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904758699 PITVGHIHWGUHIK-UHFFFAOYSA-N 266.344 3.854 30 20 CHED N#CC1(CCN2CC[C@@H](c3ccccn3)C2)CCCCC1 839592161 GHPWRYBBEUDBRO-MRXNPFEDSA-N 283.419 3.735 30 20 CHED C#CCN(C(=O)[C@H]1CSc2ccccc21)C1CCCCC1 735632580 FGDNEEXGISTPKL-INIZCTEOSA-N 299.439 3.670 30 20 CHED COCC1CCC(=NNc2ccc3ccccc3n2)CC1 834919053 FEZNZPMHPVZITR-UHFFFAOYSA-N 283.375 3.839 30 20 CHED C[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 839054379 NZCCJILDHXHLFM-HUBLWGQQSA-N 275.323 3.555 30 20 CHED CC1=CC(=NNc2cccc(C(F)(F)F)n2)CC1 739421845 PSFXYMNEBGMTLC-UHFFFAOYSA-N 255.243 3.608 30 20 CHED C#Cc1cccc(CN[C@H](c2ccc(F)cn2)C(C)C)c1 834902031 CXRWJXJTPFPVKD-SFHVURJKSA-N 282.362 3.689 30 20 CHED N#Cc1ccc(OCCCOC(=O)CC2=CCCCC2)cc1 730334942 HGCSOAPGNJQNCO-UHFFFAOYSA-N 299.370 3.761 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1cc(C)n(C)n1 835017910 CJQKLRZKOYQROH-UHFFFAOYSA-N 270.380 3.688 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 679202056 OTDBUTUDJRJJEP-UHFFFAOYSA-N 299.374 3.998 30 20 CHED CC(C)SCCN[C@H]1CCCc2cc(C#N)ccc21 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837661405 YGJDXJMPUUCVOZ-UHFFFAOYSA-N 287.407 3.685 30 20 CHED N#Cc1ccc(CCN[C@H]2CCCC23CCCC3)cc1 595055442 DCTATTINUALDJM-KRWDZBQOSA-N 268.404 3.803 30 20 CHED N#Cc1ccsc1C(=O)N1CC[C@@H](C2CCCCC2)C1 598151421 YDMPVYUVGPWGCH-CQSZACIVSA-N 288.416 3.662 30 20 CHED CCCCCCCCC(=O)NCc1csc(C)n1 917317317 DGBHFTLKCSXSFR-UHFFFAOYSA-N 268.426 3.818 30 20 CHED C=CC[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccncc1 745827542 LLHLFLOUAWJCRE-DYVFJYSZSA-N 299.418 3.671 30 20 CHED COC(=O)C1CC(c2ccc(-c3ccc(C#N)s3)cc2)C1 592988677 NJBUTYCUUGBAAX-UHFFFAOYSA-N 297.379 3.953 30 20 CHED C=C[C@H](C)NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 672464092 KSCKLYGXWQBGCM-RKTXRCNFSA-N 284.403 3.539 30 20 CHED C=CCN(C(=O)CCSc1ccc(F)cc1)C(C)C 914683747 YXTRNNMEWDSIRZ-UHFFFAOYSA-N 281.396 3.731 30 20 CHED CCC(=NNc1ccccc1)c1cccc([N+](=O)[O-])c1 915933458 XILPQDPQIXUEBM-UHFFFAOYSA-N 269.304 3.821 30 20 CHED COc1ccc(Cl)cc1C/N=C/c1ccccc1O 915981420 BJGTWZKTQQCHPC-RQZCQDPDSA-N 275.735 3.673 30 20 CHED CSCc1c(C(=O)OCCCC#N)oc2ccccc12 916606496 GFVUCWSQJSXTRP-UHFFFAOYSA-N 289.356 3.756 30 20 CHED CCc1nc(C#N)cc(Sc2nc(C(C)C)cs2)n1 596293488 RYKBACVRBQLNSG-UHFFFAOYSA-N 290.417 3.642 30 20 CHED CC(=NNCc1ccc(C(F)(F)F)cc1)C1CCC1 747633537 SOBBSAILGLPZHC-UHFFFAOYSA-N 270.298 3.971 30 20 CHED C=C(CNC(=O)c1cc(C)ccc1C)c1ccccc1 672482156 UDROFIJHDPEDFY-UHFFFAOYSA-N 265.356 3.747 30 20 CHED C/C(=C\C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)C(C)(C)C 742684846 SZLAYTKDICIQPO-JMNAUKJMSA-N 262.397 3.567 30 20 CHED C#C[C@H](C)OC(=O)c1cc2c3ccccc3n(C)c2s1 744178978 RJHCONNGRNIVCV-JTQLQIEISA-N 283.352 3.572 30 20 CHED CC(C)(C)OC(=O)N[C@H]1CCCC(=NOCCC2CC2)C1 848410111 JKTRUXQWVAMGQG-ZDUSSCGKSA-N 296.411 3.626 30 20 CHED C[C@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 749035015 NBHAGAVBTIALKE-CJNGLKHVSA-N 270.376 3.584 30 20 CHED N#CCCC1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 592819575 STHIUSHIOIDCGO-SJORKVTESA-N 288.435 3.745 30 20 CHED N#CC1(CCOC(=O)c2ocnc2C2CC2)CCCCC1 840575632 PQBNOWKOWXOVAV-UHFFFAOYSA-N 288.347 3.573 30 20 CHED C=C[C@@H](CC)OC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C 847675532 XIESJAYZJFKGSS-FZMZJTMJSA-N 290.407 3.657 30 20 CHED C=C(C)CCOC(=O)Cc1coc2cc3c(cc12)CCC3 744304499 QAVPGYSUJFYATN-UHFFFAOYSA-N 284.355 3.973 30 20 CHED C=CCCCCOC(=O)c1c(F)ccc2ccncc12 849879947 YYKYKCKQYHEOSI-UHFFFAOYSA-N 273.307 3.887 30 20 CHED Cc1c(N[C@H](C)C(C)C)cccc1C(=O)OCCCC#N 741748038 LOUXQKBGZORVPR-CQSZACIVSA-N 288.391 3.912 30 20 CHED CCCCCCCC(=O)[C@@H](C#N)c1cc(C)nc(C)n1 915107479 SVNKECOAKKUQGS-AWEZNQCLSA-N 273.380 3.630 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNc1ncnc2[nH]cnc12 917555613 WGLUOWROZDGUNQ-GFCCVEGCSA-N 286.383 3.523 30 20 CHED C=CCOCCCOC(=O)[C@@H](C)c1ccc(Cl)cc1 845333137 AHIHVELEKJLVFQ-LBPRGKRZSA-N 282.767 3.579 30 20 CHED C#CCCCC(=O)N[C@@H](C1CCCCC1)C1CCC1 843716025 KPZTVEPSCSZCGQ-KRWDZBQOSA-N 261.409 3.655 30 20 CHED CCO[C@H](CC)c1noc([C@@H](C)Cc2ccc(C#N)cc2)n1 596619805 CDVBBMWGWOUMAJ-SWLSCSKDSA-N 299.374 3.775 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(C)c1ccc(C#N)nc1 593274150 UHZNPBCTITWVHA-OAHLLOKOSA-N 299.418 3.913 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 845199879 FNVXPKQGOUKLMU-YOEHRIQHSA-N 284.403 3.974 30 20 CHED Clc1ccccc1NN=Cc1ccc2c(c1)CCO2 917532261 GPYRFETYBLQTAM-UHFFFAOYSA-N 272.735 3.721 30 20 CHED Fc1ccc(/C=C\C=NNCCc2ccccc2F)cc1 747765506 AADHMKZYLPAUCH-CJPIAGCJSA-N 286.325 3.796 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 593397716 QTKYEZCSXOOOBD-RISCZKNCSA-N 276.767 3.553 30 20 CHED CC#CCOC(=O)Cc1coc2ccc3ccccc3c12 744499922 FTVMSPBSQBXQES-UHFFFAOYSA-N 278.307 3.695 30 20 CHED CCC1(C(=O)NCCc2ccc(C#N)cc2)CCCCC1 597890724 UWDJSFVYKZXWRF-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CCOc1cccc(C=NN[C@H](C)c2ccccc2)c1 920381995 CFSLJVNDUQXCSE-CQSZACIVSA-N 268.360 3.770 30 20 CHED C=CCN(C(=S)Nc1cccc(C)c1C)[C@@H](C)COC 849277018 OTMIZVHMWCQGFK-ZDUSSCGKSA-N 292.448 3.523 30 20 CHED C[C@@H]1CC/C(=C\C(=O)[C@H](C#N)c2nc(C3CC3)cs2)C1 842940691 IPVBETCAZVTURF-FXHRJKFWSA-N 286.400 3.943 30 20 CHED CCCCCCO[C@@H](C)C(=O)N(CC#N)c1ccccc1 841087992 WPFZIQJTHWYDAI-HNNXBMFYSA-N 288.391 3.529 30 20 CHED CON=C(C)[C@@H](C)Oc1ccc(Cl)cc1Cl 749859417 UVSIYUVKSRYEFV-MRVPVSSYSA-N 262.136 3.783 30 20 CHED C[C@H](C(=O)O[C@H](C)C#N)c1ccc(Cl)c(Cl)c1 747024056 ISQVWSGPNHTABW-SFYZADRCSA-N 272.131 3.552 30 20 CHED C#Cc1cccc(NC(=S)N2CCCC(C)(C)CC2)c1 741503858 QZFWYXLBVRUFMA-UHFFFAOYSA-N 286.444 3.877 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)CC(C)(C)C#N 924844527 UYPQDVXYSXQGKZ-BBRMVZONSA-N 256.393 3.900 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1c(F)cccc1Cl 924859044 SARSKLFBBSZZFU-JTQLQIEISA-N 268.763 3.897 30 20 CHED CC(C)c1ccc(CC/N=C\c2cccc(O)c2O)cc1 920943810 JLCSWVCFYLCVSS-UNOMPAQXSA-N 283.371 3.883 30 20 CHED Cc1ccc(COC(=O)/C=C\c2ccccc2C#N)s1 755403854 OKZCQCVBTIUQIN-CLFYSBASSA-N 283.352 3.685 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc(Cl)nc2)co1 752884217 DMCBDQVHALUROK-HWKANZROSA-N 276.723 3.743 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H](C)C1CC1 920819004 INJHIQARUVJTSZ-HNNXBMFYSA-N 298.430 3.979 30 20 CHED C#CC[C@H](NCc1cccc(OC)c1)c1ccccc1 756995230 DTQXYLXLEPIAAD-SFHVURJKSA-N 265.356 3.549 30 20 CHED C=CC(C)(C)CCOC(=O)/C=C/c1cnc(C)s1 851299457 MPORRBICBJCMKU-VOTSOKGWSA-N 265.378 3.610 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 920376793 TUKHEMQEJYLPPE-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C(=NO[C@@H]1CCCCO1)c1ccc(N2CCCCC2)cc1 755817071 JAZUOMHNFYGCCE-QGZVFWFLSA-N 288.391 3.554 30 20 CHED C=C(C)[C@H](N[C@H](C)c1nonc1C)c1ccc(F)c(F)c1 926208081 YXDIBCQLIZUJHC-OTYXRUKQSA-N 293.317 3.624 30 20 CHED CCCC[C@@](C)(F)C(=O)Oc1ccc(C#N)c(C)c1 857612974 HBJWGVXTBZUUFT-OAHLLOKOSA-N 263.312 3.691 30 20 CHED C=CC[C@H](N[C@@H]1CCC[C@H](SC)C1)c1ccncc1 921746401 CIAAGFVHAVYEQZ-PMPSAXMXSA-N 276.449 3.963 30 20 CHED CCc1ccc(C(C)=NNc2cccc([N+](=O)[O-])c2)o1 752155288 NZPBHSPTHWTGQU-UHFFFAOYSA-N 273.292 3.586 30 20 CHED CSc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(C)o1 851083402 ITYOIENZLLUBOP-WDEREUQCSA-N 279.361 3.549 30 20 CHED C#C[C@@](C)(CC)NC(=O)CCCc1ccc(Cl)cc1 854701282 PCPAKEYFIONCJT-INIZCTEOSA-N 277.795 3.581 30 20 CHED CC(=NNc1ccnc(Cl)c1)c1coc(C(C)C)n1 853394999 HFOSKJMUPCGQMC-UHFFFAOYSA-N 278.743 3.683 30 20 CHED C[C@H](NN=Cc1ccc(F)cc1F)c1ccccc1 920386027 NZAQDNCMQMNCCF-NSHDSACASA-N 260.287 3.650 30 20 CHED CCCCCCCC[S@](=O)Cc1ccnc(OC)c1 857216893 GEQQRHXWBROLHN-IBGZPJMESA-N 283.437 3.699 30 20 CHED Cc1ccc(N(CCC#N)C(=O)/C=C2/CC[C@H](C)C2)cc1 753594544 DOOMVRQYYOSWIV-WSTOHFRZSA-N 282.387 3.988 30 20 CHED CC1(C)C[C@@H]1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 752495475 KIYGGJTXPUROME-NXEZZACHSA-N 288.347 3.658 30 20 CHED COc1ccc(NN=Cc2cc(C)n(C3CC3)c2C)cc1 750921767 KXTQOKQZHCNUNW-UHFFFAOYSA-N 283.375 3.894 30 20 CHED CC(C)c1ncc(C=NNc2ccc(Cl)cn2)s1 853437158 COSMXVLCJWZLHY-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C#Cc1cccc(N(C(=O)CC2(C)CC2)C(C)C)c1 758266502 UKFHCLSJWVPUOS-UHFFFAOYSA-N 255.361 3.600 30 20 CHED CCCC[C@@H](C(=O)Nc1cccc(OCC#N)c1)C(C)C 857579101 ZGACWMJRJULZMX-MRXNPFEDSA-N 288.391 3.990 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(F)cc2)cccc1[N+](=O)[O-] 756786796 JRJVALXUFSZDFQ-YFHOEESVSA-N 285.274 3.938 30 20 CHED Clc1cncc(NN=Cc2cc3ccccc3s2)n1 758371336 AMBMKKNEUNLSHI-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C#CC[C@@H](NC(=O)NCC1(CCC)CC1)c1ccccc1 757041813 JMEZNCMGXLVHOY-MRXNPFEDSA-N 284.403 3.631 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2coc(C(C)C)n2)c1C 752892871 YRIFMMJCQQOZKD-BQYQJAHWSA-N 287.363 3.527 30 20 CHED CCOC[C@H](NCCCCC1(C#N)CCC1)C(C)C 930437270 MPPGTOSBNHBGCM-HNNXBMFYSA-N 266.429 3.501 30 20 CHED C=C[C@@](C)(CC)C(=O)OCCc1ccccc1F 763250676 DJSLJCYQHJWWOA-HNNXBMFYSA-N 250.313 3.514 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1cc(C)ccc1F 763338828 MKDQHLPJOFCTOD-UHFFFAOYSA-N 286.306 3.668 30 20 CHED Cc1ccc2ccccc2c1COC(=O)C1(C#N)CCC1 767343409 AJZINFCUSHNENQ-UHFFFAOYSA-N 279.339 3.885 30 20 CHED CC(C)CN(CCC#N)C(=O)/C=C\c1ccc2[nH]ccc2c1 765702968 PCBNOVNXBNSALC-ALCCZGGFSA-N 295.386 3.579 30 20 CHED C#CCOc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 761778555 JAZJULSNHDLDBX-UHFFFAOYSA-N 294.285 3.555 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)CCCC(F)(F)F 860673051 XZGMQZKYNYJQPR-JTQLQIEISA-N 279.302 3.981 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(C(C)(C)O)cc1 767370434 GXTPYELGDGSQHT-AWEZNQCLSA-N 296.414 3.989 30 20 CHED Cn1cc(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc21 867407940 ZRRXNPAZQHXQHB-UHFFFAOYSA-N 294.314 3.533 30 20 CHED C#CCCCCCC(=O)N1CC(C)(C)CCC1(C)C 862587197 LJSBPXZYPJONRK-UHFFFAOYSA-N 263.425 3.997 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(Cl)nc1 768376664 YPSYLTQTTWQWLD-UHFFFAOYSA-N 280.755 3.612 30 20 CHED CC/C=C/CCON=Cc1c(Cl)nc2ccccn12 768923724 SYZKXLARSZHBAR-KJFCXQQNSA-N 277.755 3.695 30 20 CHED C=CC[C@H](C)C(C)=NNc1cc(C#N)cc(Cl)n1 768374779 KREOBVDSKYFKLB-VIFPVBQESA-N 262.744 3.607 30 20 CHED O=C1/C(=C/c2cccnc2)[C@H]2CCCc3cccc1c32 763290916 SRLNLMWGXGWINX-DWKHYPNZSA-N 261.324 3.781 30 20 CHED C#CCCN1CCC[C@H]1c1ccccc1C(F)(F)F 760831638 RECYUUGUIOVBFW-AWEZNQCLSA-N 267.294 3.866 30 20 CHED C#CCCCN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 766906639 SRVLFIUKEWLXBR-RTBURBONSA-N 285.431 3.768 30 20 CHED Cc1cc(/C=C2\Oc3ccc(F)cc3C2=O)ccc1C#N 766492898 ZNFGHTSSUSOMPB-APSNUPSMSA-N 279.270 3.622 30 20 CHED CCCCC[C@@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 767906343 MSXOIKXICARRNC-QZTJIDSGSA-N 286.419 3.636 30 20 CHED C[C@H]1CC(=NNc2c(Cl)cccc2Cl)CCO1 773203589 RYUDXPCYFUVHSD-QMMMGPOBSA-N 273.163 3.960 30 20 CHED C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCC1(C#N)CC1 775839811 VXAMASPBSIBBLH-SNVBAGLBSA-N 295.791 3.668 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(CF)cc1 778996870 UTYHSFHVNSBDJW-UHFFFAOYSA-N 273.351 3.980 30 20 CHED C=CCCCC[C@H](C)Nc1cnn(Cc2cccnc2)c1 1117826198 GOVSLEIPTFFLCO-HNNXBMFYSA-N 284.407 3.873 30 20 CHED N#C[C@H](OC(=O)Cc1ccc(F)c(F)c1)C1CCCCC1 776391589 HZOBWKUKKDNQOR-HNNXBMFYSA-N 293.313 3.523 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCc1ccc(F)c(F)c1 775086579 WRYHKHJUEJZGGN-SOFGYWHQSA-N 299.276 3.593 30 20 CHED CCN(C)c1ccccc1CN[C@@H](C)c1cccc(C#N)c1 776154668 CEVCECVXYHLMII-HNNXBMFYSA-N 293.414 3.865 30 20 CHED C=CCN(C(=O)Nc1ccc(-c2ncco2)cc1)C(C)C 777609120 LATNJNALMIDFLP-UHFFFAOYSA-N 285.347 3.770 30 20 CHED C=C(CC)COC(=O)CCC(=O)c1ccc(OCC)cc1 773426276 ZVQPTFUGRPAFKQ-UHFFFAOYSA-N 290.359 3.558 30 20 CHED C#C[C@@H](C)OC(=O)c1sc(-c2ccccc2C)nc1C 774103014 GUXFVLGUMPGTSX-LLVKDONJSA-N 285.368 3.605 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCc2cccc(F)n2)c1 772134644 VZMDERMKZYMRNM-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C=CCC[C@@H](NC[C@@H]1COC2(CCC(C)CC2)O1)C1CC1 777314459 VEYLKPGAGGLMKZ-FZBQFSLMSA-N 293.451 3.643 30 20 CHED CCN(C)c1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 776159211 VZCTYMPAEKTQMY-HNNXBMFYSA-N 293.414 3.865 30 20 CHED C=CC[C@@H](N[C@@H](C)C1CCSCC1)c1ccncc1 779023649 HMIOHYNOIQDSMD-XJKSGUPXSA-N 276.449 3.820 30 20 CHED C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1ccccc1 1126005982 ZVSRSZJGFGYGBN-YOEHRIQHSA-N 278.355 3.561 30 20 CHED C#CCCCCCC(=O)NCc1coc2ccccc12 779914632 PVHWSEQSSZIGQG-UHFFFAOYSA-N 269.344 3.633 30 20 CHED C#CCCCC(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 882220300 WOFCWDMLZMGUIU-UHFFFAOYSA-N 297.320 3.860 30 20 CHED C#CCCCCCC(=O)Nc1ccc2oc(CC)nc2c1 779884939 QDMDGLYKCZCJHQ-UHFFFAOYSA-N 284.359 3.912 30 20 CHED N#Cc1ccc(C2CCN(C(=O)c3cccs3)CC2)cc1 887707353 JCVBVZFISXTXTH-UHFFFAOYSA-N 296.395 3.640 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](F)C(C)C)c1 784092908 JTKQWGXKWFSHJP-QGZVFWFLSA-N 299.345 3.788 30 20 CHED Cc1cccc(C)c1C(=O)Nc1cc(C#N)ccc1F 1129715764 OBLITKLFPQSCEU-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC(C)(C#N)CCCOC(=O)c1csc(C(C)(C)C)n1 783389639 PSBVPNPVNUUWBQ-UHFFFAOYSA-N 294.420 3.927 30 20 CHED C[C@H](CCNC(=O)c1cccc(C#N)c1)CC(C)(C)C 1128118710 UCAZOQZFRLGLER-CYBMUJFWSA-N 272.392 3.750 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCc1ccsc1 783447718 DXEFTNKSUDOVSX-ZDUSSCGKSA-N 265.422 3.932 30 20 CHED C=C/C=C/CCNC(=O)N(CCC)Cc1ccc(C#N)cc1 883825726 SEBPOULBBOVKMB-AATRIKPKSA-N 297.402 3.612 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc3sccc3c2)C1 1122717746 NGLIALOBQMBJKW-GXFFZTMASA-N 271.341 3.750 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@@H]1CCNc2ccccc21 1122374518 RZZZRTAEDBAQLC-HOTGVXAUSA-N 298.430 3.933 30 20 CHED Cc1ccc(O[C@H](C)C(=O)OCCCC(C)(C)C#N)cc1 782603018 CHWIKQNMVCTWGJ-CQSZACIVSA-N 289.375 3.636 30 20 CHED C=C1CN(C(=O)CC2CCC(c3ccccc3)CC2)C1 898697013 NEPXHKAOSIOHJQ-UHFFFAOYSA-N 269.388 3.749 30 20 CHED CCCC(=NNc1ccc(OC)cn1)c1ccsc1 785462400 SCGOKPXDGDKCLJ-UHFFFAOYSA-N 275.377 3.768 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccc(F)cc3C)cn2c1 789144208 TWMNRQSOSCDONT-ALCCZGGFSA-N 294.329 3.986 30 20 CHED C[C@@H](C=NNc1cccnn1)c1ccc(C(F)(F)F)cc1 789020232 FRMVKEWTDJSSNL-JTQLQIEISA-N 294.280 3.697 30 20 CHED C=CCC(C)(C)c1nc([C@@H](C)OCC(F)(F)F)no1 896614881 GZZPNJJGYPHVAY-MRVPVSSYSA-N 278.274 3.563 30 20 CHED CO[C@H](C(C)=NNc1cccc([N+](=O)[O-])c1)c1ccccc1 782118218 ALBUWFISOVGFBA-MRXNPFEDSA-N 299.330 3.770 30 20 CHED CCCCCCCc1nc(C(C)(C)COC)no1 896569819 IZPKKUNWUZHJOJ-UHFFFAOYSA-N 254.374 3.507 30 20 CHED C[C@@H](C=NNc1cnccn1)c1ccc(C(F)(F)F)cc1 788991550 NGXXLJPFNJLKGK-JTQLQIEISA-N 294.280 3.697 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C1=CCCC1 783873874 CUXRJLLUNBQCSO-UHFFFAOYSA-N 271.360 3.633 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)O[C@H](C)CC(C)(C)C#N 893179091 YHULTBWLWOIAKT-LLVKDONJSA-N 286.375 3.753 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1cc(C)ccc1OC 899343754 CIXQSWKREJOTKM-BQYQJAHWSA-N 285.343 3.759 30 20 CHED N#Cc1ccc(CCC(=O)O[C@H]2CCc3ccccc32)cc1 790219404 BLEUUOMKSCUGRT-SFHVURJKSA-N 291.350 3.722 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCC2=CCCC2)cc1 796915528 DMJSHAVBYBNUQN-UHFFFAOYSA-N 269.344 3.755 30 20 CHED CO[C@@H]1CCC[C@H](CC(=O)O[C@@H](C#N)C2CCCCC2)C1 796069250 UYJXGGAPSCOGGM-IMJJTQAJSA-N 293.407 3.597 30 20 CHED C=CCC1(NCc2ccc([N+](=O)[O-])c(F)c2)CCCC1 690814822 IUVPYPKMQLOMLU-UHFFFAOYSA-N 278.327 3.712 30 20 CHED C#CCCOc1ccc(CN2CCC(C)=C(C)C2)cc1 796018149 OEZINAAONUINIY-UHFFFAOYSA-N 269.388 3.631 30 20 CHED FC(F)C1CCC(=NNCCCOc2ccccc2)CC1 799480393 VFFURLYBYSVQOB-UHFFFAOYSA-N 296.361 3.856 30 20 CHED CCCCCCCNc1ccc(C(=O)NC2CC2)cc1 59431237 UKFXBBZZMACZHW-UHFFFAOYSA-N 274.408 3.961 30 20 CHED Cc1nc(N2CCC(C3CC3)CC2)c(Cl)cc1C#N 589873693 SHLYKSLVLLWQRN-UHFFFAOYSA-N 275.783 3.542 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 791201282 XPVCJYLITWYHMO-RYUDHWBXSA-N 297.320 3.727 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccsc1 61364631 YPZJHAZJUSRXIC-SECBINFHSA-N 273.317 3.701 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc(F)cc1F 796893317 RCOZSEVQEJBDMC-LKFCYVNXSA-N 267.275 3.509 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2ccccn2)C1 799193941 ORSAPISIUKVRLQ-RHSMWYFYSA-N 277.371 3.504 30 20 CHED O=C(NCC#Cc1ccccc1)/C(F)=C\C1CCCCC1 798155345 JSHJQQSRKVOOBV-SAPNQHFASA-N 285.362 3.588 30 20 CHED CCNc1ccc(C#N)cc1NCCCC1CCOCC1 790310455 CIRQGGGLCFISLW-UHFFFAOYSA-N 287.407 3.609 30 20 CHED C=CCOCCOC(=O)[C@H](CC(C)C)c1ccccc1 797309612 IDBUCVUFOWNDTH-MRXNPFEDSA-N 276.376 3.562 30 20 CHED C#CCCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 692899357 IJURMTDUTYKLFJ-HRCADAONSA-N 261.409 3.607 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 695731417 SYDQGUWAZVTYQU-SRVKXCTJSA-N 288.778 3.976 30 20 CHED C[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)n2)CC1 1163076497 SKWYJGYNWFVVQI-GHMZBOCLSA-N 263.772 3.987 30 20 CHED CC(=NOC(C)(C)C)c1ccc(NC(=O)NC(C)C)cc1 1324559062 YOPDJRGZVFBEEP-UHFFFAOYSA-N 291.395 3.756 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1csc(C#N)c1 1324717348 WHIKPGMDJFISBT-ZBEGNZNMSA-N 296.395 3.673 30 20 CHED C#CCC1(C(=O)Nc2ccc(OCC#N)cc2)CCCCC1 1320982808 UNBNFEGQYOLEGW-UHFFFAOYSA-N 296.370 3.501 30 20 CHED Cc1ccc(CC(C)(C)NC(=O)c2csc(C#N)c2)cc1 1326897138 GHXZQNXFBYXVRP-UHFFFAOYSA-N 298.411 3.679 30 20 CHED CCN(Cc1ccccc1F)Cc1cc(C#N)ccc1OC 1324220072 RLKASHAECUUFQR-UHFFFAOYSA-N 298.361 3.728 30 20 CHED Cn1cccc1C(=O)CSc1ccc(Cl)cc1C#N 1188870284 PIOGPCHMZSWQRH-UHFFFAOYSA-N 290.775 3.525 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CC#Cc1ccccc1 1252968462 XXBJSIQOSHQCKL-DOTOQJQBSA-N 283.415 3.759 30 20 CHED C[C@H]1CCC[C@@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1185306205 PYYVSGPIKRIGAW-WFASDCNBSA-N 294.358 3.741 30 20 CHED C=C1CCC(C(=O)N2CCc3ccc(OCC)cc3C2)CC1 1332381239 YECUOJNDCSBWSD-UHFFFAOYSA-N 299.414 3.716 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)c1ccc(F)c(F)c1 1331151718 FQVGBOLMOXGEIQ-LLVKDONJSA-N 281.346 3.929 30 20 CHED CS[C@@H](C)CC(=O)N(c1ccccc1C#N)C1CCC1 1334261834 QQUSCALUDTYVBR-LBPRGKRZSA-N 288.416 3.585 30 20 CHED C=C(C)CCC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 1346796901 JQWXNAIQKURJNC-ZDUSSCGKSA-N 297.383 3.738 30 20 CHED Cc1ccc(NN=Cc2cnn(CC(F)F)c2)cc1Cl 1343847311 XRMIMTWKTWUUGP-UHFFFAOYSA-N 298.724 3.556 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 1263706205 WEXOTBJBHJULQF-ZDUSSCGKSA-N 261.365 3.617 30 20 CHED C=C1CCN(C(=O)c2ccc(CC)c(CC)c2)CC1 1341762280 MEPDKOLIJVWERX-UHFFFAOYSA-N 257.377 3.604 30 20 CHED CN(Cc1cccc(Cl)c1)c1ccc(F)cc1C#N 104249023 COGKJDHROPPGNF-UHFFFAOYSA-N 274.726 3.987 30 20 CHED C=C(CC)C(=O)Nc1cnn([C@H](C)CC)c1C1CC1 1351708850 LRGCJDHBXZHCNR-LLVKDONJSA-N 261.369 3.636 30 20 CHED CC(C)CC1(C)CCN(C(=O)c2ccsc2C#N)CC1 1450745324 VKSCAOVQGAAUAO-UHFFFAOYSA-N 290.432 3.908 30 20 CHED COc1ccc(C#N)cc1CN[C@H](C)C1CCCCC1 130304333 NAJZEASVAQGTDG-CYBMUJFWSA-N 272.392 3.625 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@@H](C(C)C)C1 1515414571 LMMIXDCWALXILC-GFCCVEGCSA-N 298.381 3.664 30 20 CHED Cc1cc(C#N)cc(NC(=O)Cc2ccc3c(c2)CCC3)c1 1528378832 NPFGVTPKBNQWER-UHFFFAOYSA-N 290.366 3.537 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)cc1C#N 1528238517 CYZBLIFVFTZWGE-JKSUJKDBSA-N 284.403 3.811 30 20 CHED C[C@@H]1Cc2cc(NC(=O)CC3(C#N)CCCCC3)ccc2O1 1538668189 GCFLHBZNJWPHBM-CYBMUJFWSA-N 298.386 3.813 30 20 CHED N#CCc1cccc(NC(=O)C2(c3ccccc3F)CC2)c1 1533223303 KOPCWERVIHROLJ-UHFFFAOYSA-N 294.329 3.562 30 20 CHED N#Cc1c(F)cccc1N1CCc2ccc(F)cc21 227424500 XFWBVITVTSIFOV-UHFFFAOYSA-N 256.255 3.531 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)CCC#N)C1CCCCCC1 1478409009 HGEYILYLLWDOPE-CQSZACIVSA-N 293.455 3.974 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)c(F)c1F 1543442916 YCXSERKNVLKRTF-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1cc(C#N)cnn1 1611905896 RNDZAJZJJXQGSN-ZIAGYGMSSA-N 272.396 3.613 30 20 CHED N#C[C@@H](c1ccccc1)N1CCc2cccc(Cl)c2C1 1559898279 PVWQODGJYHFBGN-KRWDZBQOSA-N 282.774 3.963 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@]1(C)CC 120223195 GPZRXQBYUXNMJY-NVXWUHKLSA-N 257.377 3.637 30 20 CHED Cc1cc2c(NC(=O)[C@@]3(C)CCC[C@H]3C)n[nH]c2cc1C#N 1640760896 WKTNRFGMBLFWBJ-DIFFPNOSSA-N 296.374 3.508 30 20 CHED Cc1nc(NCC[C@H]2CCCC[C@@H]2C)ccc1C#N 1642270562 VCRBIDZJXRHANR-GXTWGEPZSA-N 257.381 3.890 30 20 CHED Cc1cc(N(C)[C@@H](C)CSc2ccccc2)ncc1C#N 1655644552 XAXHCZSSYQQYRQ-AWEZNQCLSA-N 297.427 3.879 30 20 CHED C=CCCc1ccccc1NCc1nc(C(=O)O)cs1 1588817720 SONWIIPONXJZMQ-UHFFFAOYSA-N 288.372 3.572 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1CCC(CC(=O)O)CC1 1593903740 KMHLDHPTMGUQAA-PYMCNQPYSA-N 280.412 3.566 30 20 CHED CC1(C)CCC/C(=C\c2csc(C(=O)O)c2)C1=O 1776548667 VUQCSEHHZWWCIE-UXBLZVDNSA-N 264.346 3.609 30 20 CHED CC(C)c1cccc(C(=O)/C=C/c2ccc(C(=O)O)nc2)c1 1776375507 VOWYRUIXUXTZMS-VQHVLOKHSA-N 295.338 3.799 30 20 CHED C=CCN(CCC(C)(C)CC(=O)O)Cc1ccc(C)cc1 1776178858 YKRUEIIWPRFDHI-UHFFFAOYSA-N 289.419 3.874 30 20 CHED CCCCCCCC[C@@H](C)C(=O)NCC1(CC(=O)O)CC1 1776786209 YLDATVWJEBSNTL-CQSZACIVSA-N 297.439 3.744 30 20 CHED C=C[C@@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776064394 MKBYHZMTKYETRP-SNVBAGLBSA-N 276.311 3.668 30 20 CHED C=C(C)CN(CC)C/C=C\c1ccccc1[N+](=O)[O-] 5966313 SEIAJETWGVRJPY-CLFYSBASSA-N 260.337 3.506 30 20 CHED Cc1ncccc1/C=C/C(=O)c1c(Cl)nc2ccccn12 150958093 UQSXBRPKGZZDEF-BQYQJAHWSA-N 297.745 3.587 30 20 CHED N#Cc1cccc(NCc2noc(C3CCCCC3)n2)c1 161078658 LBIPUFILTBLLKN-UHFFFAOYSA-N 282.347 3.601 30 20 CHED N#Cc1ccc(Cn2ccc(=O)c3ccccc32)c(Cl)c1 162948157 OYFRLAHGPNPCDK-UHFFFAOYSA-N 294.741 3.575 30 20 CHED CC(C)(C#N)C(=O)NCCc1ccc(-c2ccccc2)cc1 168556242 ZWFCGRZYVDCAHH-UHFFFAOYSA-N 292.382 3.562 30 20 CHED C#CCCCCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 156032948 RQIKNXPYYOVOIO-MOPGFXCFSA-N 291.394 3.863 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(Cl)c2F)C1 155211566 NIFUSVNGPGUYSI-BMIGLBTASA-N 294.757 3.681 30 20 CHED O=C(/C=C/c1cccs1)c1cnn(Cc2ccccc2)c1 157347202 DOHWEKKUTDIAHM-CMDGGOBGSA-N 294.379 3.889 30 20 CHED CC[C@H](C(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1 157831286 ITTNUHISJQCUQQ-KRWDZBQOSA-N 296.345 3.507 30 20 CHED C=CCCCCCCCNCc1c(Cl)cnn1C 810160673 OWSNVIJGQCZZNF-UHFFFAOYSA-N 269.820 3.690 30 20 CHED Cc1cccc2c1CC[C@@H]2N[C@@H](C)CC(C)(C)C#N 925370031 KDFPVPUCOLJRTD-BBRMVZONSA-N 256.393 3.900 30 20 CHED N#Cc1ccc(CN2CCc3ccc(F)cc32)c(Cl)c1 236217480 QMYKXMBWZSFBMJ-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C#CCN(Cc1nc(-c2cccs2)oc1C)CC1CC1 1319552664 SARSAFSGRFVGTK-UHFFFAOYSA-N 286.400 3.557 30 20 CHED C#CCOc1ccccc1CNc1ccc(F)cc1F 21518825 ISMPSJDDHBHAIF-UHFFFAOYSA-N 273.282 3.589 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 37748680 MSDXJFJFLUYDDK-KRWDZBQOSA-N 268.335 3.938 30 20 CHED CC1(C)[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21 301449381 KVOVSPSHDYAFBQ-BETUJISGSA-N 280.293 3.669 30 20 CHED C[C@@H](Nc1nc(C(C)(C)C)ns1)c1ccc(C#N)cc1 87640737 BJDCGOBZOLZSLI-SNVBAGLBSA-N 286.404 3.880 30 20 CHED N#CCC1CCN(Cc2ccc(F)c(Cl)c2)CC1 336378912 DYUOVUGIOSMZFJ-UHFFFAOYSA-N 266.747 3.605 30 20 CHED N#Cc1cc(NCc2cccc(C#N)c2F)ccc1Cl 342437798 OOGUIRDJMVUJJQ-UHFFFAOYSA-N 285.709 3.835 30 20 CHED N#Cc1cc(Oc2ccc(Cl)c3ccccc23)ncn1 380358368 BMTAEBVJVDFVBL-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CC1(C)CC[C@H]1Nc1cc(C#N)c2ccccc2n1 381746696 QKVCDYVFDMSDQV-CQSZACIVSA-N 251.333 3.707 30 20 CHED C=CCn1c(SCc2ccc(C)cc2)nnc1C1CC1 4345235 MKYBMWHRZIVYCG-UHFFFAOYSA-N 285.416 3.942 30 20 CHED C=CCCCSc1nnc(Cc2cccs2)o1 117552897 CEBKGRUXJHMLFZ-UHFFFAOYSA-N 266.391 3.780 30 20 CHED CCN(CCC#N)C(=O)/C=C(/C)c1ccccc1Cl 103210208 XITLIZMCRHFGKB-QXMHVHEDSA-N 276.767 3.505 30 20 CHED C=CCCC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 108312895 JOUDKJJIOOVAQS-UHFFFAOYSA-N 294.354 3.588 30 20 CHED N#CCCCN(Cc1ccc2c(c1)OCO2)c1ccccc1 105615522 ZYFQRMRVKRXKFP-UHFFFAOYSA-N 294.354 3.726 30 20 CHED C=CCCCOC(=O)C1(c2ccc(C)cc2)CCOCC1 117995517 PGXJUSCMSBESRN-UHFFFAOYSA-N 288.387 3.553 30 20 CHED N#CC1(NC(=O)CSCC2CCCCC2)CCCCC1 58487670 XGQOEBNXLDEWBA-UHFFFAOYSA-N 294.464 3.643 30 20 CHED N#CCCCCN[C@@H](c1ccc(F)cc1)C1CCC1 104706887 DENFKUDXLOIBEL-MRXNPFEDSA-N 260.356 3.950 30 20 CHED N#C[C@H](OC(=O)c1ccc(-c2ccccc2)s1)C1CC1 176062349 JXNOEFDSZJESHW-ZDUSSCGKSA-N 283.352 3.874 30 20 CHED C=CCCCSc1nnc(-c2cccs2)o1 117547859 VGBNQMHAKGSDJQ-UHFFFAOYSA-N 252.364 3.856 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 119978404 MKRGPOHZTPASRG-NVXWUHKLSA-N 269.388 3.585 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](c1ccccc1)[C@@H](C)CC 116851463 IYZCDXNHOXWVMF-DZKIICNBSA-N 259.393 3.897 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 25438094 ZRLFBMVVMAYNLV-UHFFFAOYSA-N 282.318 3.879 30 20 CHED N#Cc1ccc(Cn2ccc(-c3ccccc3)n2)c(F)c1 111181238 AFXRYIKUUCPVJM-UHFFFAOYSA-N 277.302 3.609 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)OCC1(CC#N)CC1 174740935 RQQGJSBSFKULHC-CQSZACIVSA-N 289.400 3.794 30 20 CHED C[C@H](S[C@H](C)c1ccc(C#N)cc1)C(=O)NC(C)(C)C 118444650 JWRDUQMHKFMEMS-NEPJUHHUSA-N 290.432 3.656 30 20 CHED C=CCCCC(=O)N(Cc1ccco1)c1ccccn1 175646560 DVNOVTRWXRSCBN-UHFFFAOYSA-N 270.332 3.564 30 20 CHED CCC(CC)(C(=O)N[C@@H](C)CC#N)c1ccc(Cl)cc1 171207902 LKINDAYUSIPEHO-LBPRGKRZSA-N 292.810 3.816 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccc(F)c1)C2 176938376 IYWLPQVSSQTAMX-QPEQYQDCSA-N 268.287 3.657 30 20 CHED C#CCCNc1cccc(Br)c1Cl 307169415 YDEIUGITZYVEIP-UHFFFAOYSA-N 258.546 3.538 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@@H](C)c1ccc(CC)cc1 119124603 CVCJOKMEIURUDK-ZIAGYGMSSA-N 259.393 3.823 30 20 CHED C[C@H](Nc1ccc(C#N)nn1)c1cc(Cl)ccc1Cl 302349280 BJOFKNNWHIQXSV-QMMMGPOBSA-N 293.157 3.828 30 20 CHED C=CCCCC(=O)N1CCSC[C@@H]1c1ccc(C)cc1 177864325 PGGKJRWLUBWZDW-MRXNPFEDSA-N 289.444 3.968 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1c(F)cccc1Cl 301488713 JWHSNLAXERUPJE-VIFPVBQESA-N 275.714 3.919 30 20 CHED C[C@@H](Oc1ccccc1)C(=O)O[C@H](C)c1ccc(C#N)cc1 175752684 KUZSEELRTKJUGZ-ZIAGYGMSSA-N 295.338 3.630 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)o1 66396762 RVTBHWKEAJZBCL-HNNXBMFYSA-N 296.370 3.880 30 20 CHED Cc1c(C#N)cccc1NC(=O)C(C)(C)c1ccccc1 178631002 QHOVVYICQWPYSD-UHFFFAOYSA-N 278.355 3.783 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc([C@@H]2CCO[C@@H]2C)o1 1346006048 ZBRIVUARJLPDLR-BPLDGKMQSA-N 284.359 3.670 30 20 CHED CC(C)(CCc1ccccc1)NC(=O)c1ccc(C#N)cc1 171317094 LJCKMGGFZYUYFQ-UHFFFAOYSA-N 292.382 3.699 30 20 CHED C=CCN(C(=O)COc1cccc(C)c1)c1ccccc1 61264245 SZUJDPJEPBUNPN-UHFFFAOYSA-N 281.355 3.593 30 20 CHED C=CCCC(=O)Nc1cccc(NC(=O)OCC(C)C)c1 60365111 PFCQTIQKFIAIAH-UHFFFAOYSA-N 290.363 3.796 30 20 CHED CC(C)(C)c1nc(N[C@H](CCC#N)c2ccccc2)no1 302131825 KOEBVQZNDDLWRS-CYBMUJFWSA-N 284.363 3.824 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccsc1 172370685 VMTBFHWYTHXIGI-UHFFFAOYSA-N 266.410 3.636 30 20 CHED C=CCN(C)[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 121276935 JHLOXAFZHQQIFE-GJZGRUSLSA-N 296.414 3.523 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCCC[C@H]1C(C)C 188488783 ZHGDJLFBMBTYQX-INIZCTEOSA-N 285.391 3.909 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccccc1Cl 189775231 VTOHTEUMMYRVKY-CQSZACIVSA-N 251.757 3.559 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ncc([N+](=O)[O-])s1 409662332 BDUVYXILGLKQNM-UHFFFAOYSA-N 289.360 3.634 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc(O)c(F)c2)c1 121136450 DCKZAJUGZCGTLR-SOFGYWHQSA-N 286.302 3.826 30 20 CHED CC#CCNC(=O)c1cc(-c2ccccc2)ccc1Cl 121259958 SVAMJFGOLCMMQF-UHFFFAOYSA-N 283.758 3.760 30 20 CHED CC(C)COc1ccccc1NCc1cc(C#N)n(C)c1 189588633 QOYYYSRLVWKQFD-UHFFFAOYSA-N 283.375 3.544 30 20 CHED C=C(C)CN(C)Cc1coc(-c2c(F)cccc2F)n1 181324296 KJOUTKSMYSABNH-UHFFFAOYSA-N 278.302 3.628 30 20 CHED C[C@H](CC(F)F)C(=O)Nc1ccc(Cl)cc1CC#N 415738386 SKPLDESIBCRVRY-MRVPVSSYSA-N 286.709 3.636 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CS[C@H](C)c1cccs1 77961103 STHBKOJSAQQCHQ-VXGBXAGGSA-N 296.461 3.550 30 20 CHED C[C@H](CCNC(=O)c1ccc(CC#N)cc1)c1ccccc1 410211675 UKYOXPNRKSUJLM-OAHLLOKOSA-N 292.382 3.676 30 20 CHED N#Cc1cc(F)c(NCCc2c(F)cccc2F)c(F)c1 500538575 NMLNWOZENDPBJS-UHFFFAOYSA-N 294.251 3.769 30 20 CHED CCC[C@@H](C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 71833956 JYHSBCPOBGJMGS-OAHLLOKOSA-N 292.382 3.856 30 20 CHED COc1cc(CN2CCC[C@H]2C(C)(C)C)ccc1C#N 442881634 BGMGELHELCGNOL-INIZCTEOSA-N 272.392 3.577 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc(Oc3cnccn3)c2)C1 185726609 XAIKPNGDPKHDMF-KBPBESRZSA-N 294.358 3.763 30 20 CHED CC[C@H](C)[C@@H](C)NCc1ccc(Br)cc1C#N 310310481 TUTFVRLILQJQHF-WDEREUQCSA-N 295.224 3.845 30 20 CHED N#Cc1ccc(CC(=O)N[C@@H]2CCCCC23CCCC3)cc1 319709325 UAXIMPFHAJOBLU-QGZVFWFLSA-N 296.414 3.720 30 20 CHED CC[C@@H](C#N)Sc1nccn1-c1ccc(OC)cc1C 187959144 DDLRLEFNJMABOO-ZDUSSCGKSA-N 287.388 3.584 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CCC2 37748352 UFQGWRIUFDSTRU-CQSZACIVSA-N 276.383 3.898 30 20 CHED N#C[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1F 76646154 IYTLPVAGQKSGAW-AWEZNQCLSA-N 294.285 3.567 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C)c1ccccc1 416061121 CWNOGCNHFOPPLL-ZJIFWQFVSA-N 271.404 3.849 30 20 CHED CCCCCCCCC(=O)NCc1ccc(O)c(F)c1 78505822 NPZMVECPXMLLRG-UHFFFAOYSA-N 281.371 3.898 30 20 CHED C=C(C)CN(C)C(=O)NC[C@@H](c1ccccc1)C(C)C 180514191 CRVWRQJVOJUCJD-MRXNPFEDSA-N 274.408 3.644 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 188991857 PDVRWYGBEIDJHT-GFCCVEGCSA-N 288.347 3.518 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCCC(C)C 79566318 DFJAVAMBXBQEMH-UHFFFAOYSA-N 278.371 3.569 30 20 CHED C=CCC[C@@H](CCC)N[C@H](C)C1CCN(C(=O)OC)CC1 186766020 JBCVDGGZIBXIQD-GDBMZVCRSA-N 296.455 3.578 30 20 CHED C=CC[C@H](C(=O)N[C@H](COCC)C(C)C)c1ccccc1 189535613 RJBXAXNMEYIDKK-DLBZAZTESA-N 289.419 3.524 30 20 CHED CC[C@@H](C#N)OC(=O)CCCCCc1ccc(F)cc1 188986635 DXHOOATVWDHXIM-HNNXBMFYSA-N 277.339 3.774 30 20 CHED COC[C@@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 181054650 LSWIEZFWHCZGSI-MRVPVSSYSA-N 275.295 3.704 30 20 CHED C=CCC[C@H](NCCCSCC#N)c1ccccc1 180050708 YLYHGQNCKXDGRI-INIZCTEOSA-N 274.433 3.930 30 20 CHED CN(CCCC(C)(C)C#N)[C@@H]1CCc2ccccc21 174815241 YYFWAGNANXHPQN-MRXNPFEDSA-N 256.393 3.936 30 20 CHED C=CCCCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl 76487004 REUCEFIFBPTXNM-KGLIPLIRSA-N 277.795 3.868 30 20 CHED COc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1O 130607437 OZJXCPUQUDACMI-INIZCTEOSA-N 296.370 3.535 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 49371779 BHZPRFMVMLECSF-XVNBXDOJSA-N 283.714 3.813 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1sccc1Cl 417185962 DYCABBLOJMISKN-KRWDZBQOSA-N 289.853 3.980 30 20 CHED O=C1/C(=C/c2cncs2)CCOc2c(Cl)cccc21 130076758 VDQIFALANAHVRZ-RMKNXTFCSA-N 291.759 3.845 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1csc(-c2ccco2)n1 135124409 PAOYFNRSHKMABU-HNNXBMFYSA-N 290.388 3.622 30 20 CHED CCN(CC)CCSc1ccc(Cl)cc1C#N 88734137 JEJFHSHTDGHZAW-UHFFFAOYSA-N 268.813 3.646 30 20 CHED CCCc1ccc(C(=O)COc2cccc(C#N)c2)cc1 47820720 DQJWZPWXQPCSJH-UHFFFAOYSA-N 279.339 3.772 30 20 CHED CC[C@H](C)[C@@H](C)N(Cc1ccccc1C#N)C1CC1 513446674 HRNZYJXKNYRQDF-UONOGXRCSA-N 256.393 3.957 30 20 CHED CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(C#N)cc1Cl 426124507 SLZOFEKKLDNHKK-ZJUUUORDSA-N 279.771 3.768 30 20 CHED Cn1cc(CNc2ccc(OC(C)(C)C)cc2)cc1C#N 191193872 CXNFHDKVKWZJJK-UHFFFAOYSA-N 283.375 3.686 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1CCCSCC#N 514662664 KXRAWCDYLIGBAR-UONOGXRCSA-N 268.470 3.780 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC(C)(C)OC(C)(C)C1 190557380 JSZSQPBPLVAQCY-ZDUSSCGKSA-N 272.392 3.509 30 20 CHED CCCCN(CCCC)C(=O)C(C#N)(CC)CC 44765387 SSFHVUBHYKWDFQ-UHFFFAOYSA-N 252.402 3.745 30 20 CHED C/C(O)=N/C1CCC(/N=C(/O)C(C2CC2)C2CC2)CC1 328789912 LDLXHSRGVOIUTF-UHFFFAOYSA-N 278.396 3.667 30 20 CHED C=CC[C@H](CC)NCc1cc(Br)ccc1O 381302433 ISNUDJAWIMHNMM-LBPRGKRZSA-N 284.197 3.599 30 20 CHED CCCCC/C(O)=N/S(=O)(=O)c1cc(C)ccc1C 46929211 XSUCFCRWPVULGW-UHFFFAOYSA-N 283.393 3.529 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)c(F)cc1OC 425635559 WYIABGKBDCGGNO-UHFFFAOYSA-N 269.291 3.514 30 20 CHED C[C@H]1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 424325001 KOVYLXPULIGKBZ-ZJOBFFGXSA-N 254.377 3.907 30 20 CHED C=CCC(CC=C)c1nc(C2(CCOC)CCC2)no1 420515793 VFJGCUHLACSGPA-UHFFFAOYSA-N 276.380 3.764 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N(C)Cc1cccc(Cl)c1Cl 336236577 CNYNIBDCUCKUBM-OTYXRUKQSA-N 297.185 3.502 30 20 CHED C[C@@H]1CCC[C@H](CC/N=C(/O)CCc2cnccn2)C1 330019292 UVTISHICURAOKV-ZIAGYGMSSA-N 275.396 3.582 30 20 CHED Cc1c(F)cccc1NC(=O)[C@H](C)c1cccc(C#N)c1 334589925 FUXMAVVSARHRJK-LLVKDONJSA-N 282.318 3.748 30 20 CHED C=CCN(CCC#N)Cc1ccc(Cl)cc1Cl 428852249 SOVSIQKGGFRJMG-UHFFFAOYSA-N 269.175 3.895 30 20 CHED Cc1ccc2c(c1F)N(C(=O)c1cc(C#N)oc1C)CCC2 334726060 GEQULOXYCNDGIJ-UHFFFAOYSA-N 298.317 3.500 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(C(F)F)cc2)[C@H]1C#N 335337058 XJCVKVXSFWQAIH-ZDUSSCGKSA-N 292.329 3.779 30 20 CHED CC(=O)Nc1cc(NCc2ccc(C#N)c(F)c2)ccc1C 190344575 LYUKLYCNLQCRRT-UHFFFAOYSA-N 297.333 3.576 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cc2ccccc2s1 334456124 GUYFMPWHBNQNCC-UHFFFAOYSA-N 272.373 3.523 30 20 CHED CC[C@H](NCc1cc(C#N)n(C)c1)C(C)(C)c1ccccc1 191185228 XFJKHSQGSUIKDH-SFHVURJKSA-N 295.430 3.743 30 20 CHED CCc1cccc2c1N(C(=O)c1cccc(CC#N)c1)CC2 519921625 IUELNBFNCYPWQO-UHFFFAOYSA-N 290.366 3.518 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2c(c1)CCC=C2 519726001 UITIZCJLBPYJOE-MRXNPFEDSA-N 255.361 3.731 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1C(C)(C)C1(C)C 425125428 GJPDRJUIFYGFGN-LBPRGKRZSA-N 284.403 3.760 30 20 CHED Cc1csc(NC(=O)C2CCCCCC2)c1C#N 331411810 GEVDVXXAKBIFEZ-UHFFFAOYSA-N 262.378 3.837 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OCC)c(OCC)c1 337092989 NAHISCXPDXUQRY-CQSZACIVSA-N 291.391 3.569 30 20 CHED C=CCC[C@@H](NCc1cccnc1OCCC)C1CC1 439066909 DZWGPDYDXHALKH-MRXNPFEDSA-N 274.408 3.705 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)Cc1ccc(Cl)cc1 435735650 OXNBLUTYAUWULG-KMFMINBZSA-N 293.838 3.842 30 20 CHED Cc1ccccc1[C@H](NC(=O)NCC1(CC#N)CC1)C(C)C 430684194 ZHQDLAFRNCFLET-MRXNPFEDSA-N 299.418 3.685 30 20 CHED C=CCC[C@H](NS(=O)(=O)CCC(C)C)c1ccccc1 435123479 HEOUDZBHLOPMNW-INIZCTEOSA-N 295.448 3.659 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1CCCCCC1 332386615 YWEPIVXJDZFNKB-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1F 335858167 FBVSDUAVAWBKLP-KZULUSFZSA-N 295.361 3.821 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCC1CCCCCC1 435742058 LQOQCQMCBJLHEQ-CVEARBPZSA-N 251.414 3.528 30 20 CHED C=C(C)CN1CCC(c2c[nH]c3ccccc23)CC1 248271439 ZQWZBDJWJLOWPJ-UHFFFAOYSA-N 254.377 3.923 30 20 CHED N#Cc1nn(CCSc2ccccc2F)c2ccccc12 432453904 CYBSLFFYPIRLBV-UHFFFAOYSA-N 297.358 3.839 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1CCc2cc(F)ccc21 432096057 RSJZFYNJGGAVLM-HNNXBMFYSA-N 290.382 3.715 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCCC(C)C 436298871 IARZBUXIZFXAEE-XHSDSOJGSA-N 253.430 3.772 30 20 CHED C=CCCC(=O)N1CCC(CCc2ccc(O)cc2)CC1 522603074 YXZPZYZDBBOECD-UHFFFAOYSA-N 287.403 3.530 30 20 CHED CCOc1cccc([C@@H]2C[C@H]2Nc2nc(C)ccc2C#N)c1 342816661 JBYGJKYUJKNOFF-DLBZAZTESA-N 293.370 3.628 30 20 CHED C/C(Cl)=C/CN(Cc1ccc(C#N)cc1)C(C)C 528369476 ZRYQNKWLHHIBGX-JYRVWZFOSA-N 262.784 3.911 30 20 CHED CC(=O)Nc1cccc(NCc2cccc(C#N)c2F)c1C 341801183 FCLOLIHYUPMUEZ-UHFFFAOYSA-N 297.333 3.576 30 20 CHED CC(=O)Nc1cccc(N[C@H](C)c2ccc(C#N)c(F)c2)c1 346222031 LJCKAFDRWRTTAM-LLVKDONJSA-N 297.333 3.829 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 435070973 VBNDFEIYINLUKS-KBPBESRZSA-N 284.403 3.531 30 20 CHED N#Cc1ccccc1CN(CCc1cccc(F)c1)C1CC1 523669722 JSMMRDHCFGKDOV-UHFFFAOYSA-N 294.373 3.904 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc(Cl)cc1F 348151590 JTNBKHBLYGZFGM-UHFFFAOYSA-N 297.761 3.931 30 20 CHED Fc1ccc(C=NOCc2ccccc2OC(F)F)cc1 255473951 WYYFAFSDMCQPOE-UHFFFAOYSA-N 295.260 3.978 30 20 CHED CCC(CC)(CC)[S@](=O)Cc1ccc(OC)c(C#N)c1 431208404 QLRJNFNHRJHZJO-HXUWFJFHSA-N 293.432 3.784 30 20 CHED Cc1ccc(CCNc2nc3c(cc2C#N)CCC3)c(C)c1 521330309 SKNMKRYGYVXTGY-UHFFFAOYSA-N 291.398 3.713 30 20 CHED CN(Cc1ccccc1Cl)C(=O)c1ccc(CC#N)cc1 340066472 OISCPNPCDMQWNC-UHFFFAOYSA-N 298.773 3.678 30 20 CHED N#CCC1(CN[C@@H](c2ccc(F)cc2)C2CCC2)CC1 602791551 FXZSDQURWSMOFZ-MRXNPFEDSA-N 272.367 3.950 30 20 CHED C=CCc1ccc(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 255934023 HFWFPXVPPXRJFO-UHFFFAOYSA-N 299.326 3.911 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1ccccc1C 529199504 PPCKGJXDSCCLKY-RDJZCZTQSA-N 271.404 3.741 30 20 CHED C=CCC(C)(C)C(=O)N1CC=C(c2ccc(C)nc2)CC1 345154396 WFPCVYKBEHZKFV-UHFFFAOYSA-N 284.403 3.608 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)N(C)c1ccc(C#N)cc1 440054057 RNUBEXCNLMOEMV-CYBMUJFWSA-N 296.345 3.539 30 20 CHED N#Cc1cccc(S[C@H]2CCO[C@H](c3cccnc3)C2)c1 600529364 MPVMYHUWOYWZFB-IRXDYDNUSA-N 296.395 3.966 30 20 CHED C=CCCCC[C@H](C)NC[C@H](C)Cn1ccnc1C 449075456 RDIAXEJIPVGRGS-GJZGRUSLSA-N 263.429 3.552 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccc(O)c(F)c1 255627304 CSUDVFVSIDYGSE-DJWKRKHSSA-N 278.229 3.706 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 442935130 RJTAAPQTHUUMGC-KRWDZBQOSA-N 293.357 3.568 30 20 CHED C=CCC1(C(=O)N2CCc3cc(OCC)ccc3C2)CCC1 358218310 ZQDADCJZTBQAJD-UHFFFAOYSA-N 299.414 3.716 30 20 CHED C=CCCCN[C@@H](c1ccccc1)c1nccs1 265375695 BMWYSGWOJKYXSX-AWEZNQCLSA-N 258.390 3.788 30 20 CHED C=CC[C@@H]1N(Cc2ccc(OC)c(O)c2)CCCC1(C)C 446831002 ZIKKAVWWRIKDBZ-KRWDZBQOSA-N 289.419 3.968 30 20 CHED N#Cc1cc(F)ccc1CN1CCC=C(c2ccco2)C1 352558552 ACCPLVMOGWMAOG-UHFFFAOYSA-N 282.318 3.580 30 20 CHED CC[C@@H](F)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 440773719 YWWOLGJDPLYRNC-SSDOTTSWSA-N 281.215 3.551 30 20 CHED CCc1cc(C#N)ccc1OCCCC(C)(C)C#N 442124381 SNNAVYATIHBCND-UHFFFAOYSA-N 256.349 3.829 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N1CC(C)(C)c2c(Cl)cccc21 448828739 QJNSMXTXOCFXQE-HWPZZCPQSA-N 288.778 3.514 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)CCc1ccccc1 539602222 CMKXKAVKHOXZJA-GDBMZVCRSA-N 274.408 3.662 30 20 CHED C=CCC[C@H](NCC1([C@@H](C)CCO)CCC1)C1CC1 537309222 ZGBBEAVLBCDXQN-HOCLYGCPSA-N 265.441 3.510 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(C)cc(OC)c(C)c1C 352925452 FHAZRHZOKHWFQP-UHFFFAOYSA-N 276.380 3.660 30 20 CHED CC(C)C[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)N(C)C 611390648 MTEMMHMELGLPAL-HKUYNNGSSA-N 299.462 3.502 30 20 CHED COc1ccc([C@@H]2CCCCCN2CC2(C#N)CC2)cc1 537261023 SGUJHROPTOBMNI-KRWDZBQOSA-N 284.403 3.916 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc2[nH]c(-c3cccs3)nc12 353845330 VZUQVYPSJKDVMR-SNVBAGLBSA-N 297.383 3.596 30 20 CHED CCN(CCCCC#N)Cc1cccc(Br)c1 263761142 AUBQWDMUWNZSOK-UHFFFAOYSA-N 295.224 3.965 30 20 CHED C=CCN(Cc1cccc(-c2ccncc2)c1)C1CC1 350258222 BWJXLLYQDRHHHG-UHFFFAOYSA-N 264.372 3.899 30 20 CHED N#CC1(CN(c2ccc(Br)cc2)C2CC2)CC1 451671267 PTMJHIAPXIURNH-UHFFFAOYSA-N 291.192 3.722 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC(C)(C)CC(C)(C)C1 442941311 WIOLBABUDCDLLD-MRXNPFEDSA-N 251.414 3.873 30 20 CHED CC(C)c1ccc(CN2CCOC[C@H]2C#N)c(C(C)C)c1 610682107 MJXPNIYSVXJWBQ-QGZVFWFLSA-N 286.419 3.658 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2CCCc2ccccc2)n1 532609601 FTFSNCRRAIIWCC-SFHVURJKSA-N 291.398 3.945 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc2c1ccn2C 530605871 BVHZJUXBSGOTEV-UHFFFAOYSA-N 289.338 3.611 30 20 CHED Cc1ccc([C@@H]2CCCN2Cc2nc(C#N)cs2)s1 356233714 RXMBIRUILIHVPM-LBPRGKRZSA-N 289.429 3.722 30 20 CHED N#Cc1ccc(SCc2ccc(F)c(F)c2)nc1 353718132 ZJTGKLIWNBUHME-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@H](C)c1ccc(C#N)cc1 534138512 SJZHPLCPWFGWAY-QWHCGFSZSA-N 272.392 3.808 30 20 CHED N#CC1(CNC2(c3c(Cl)cccc3Cl)CC2)CC1 537289901 FPOJPHRHYVNMNL-UHFFFAOYSA-N 281.186 3.876 30 20 CHED C=CCC[C@H](NC1CCC(O)CC1)c1ccccc1 269465064 YUSAQTLWUNANOY-JCYILVPMSA-N 259.393 3.587 30 20 CHED C[C@H](CCc1ccco1)N[C@@H]1CCc2cc(C#N)ccc21 618805893 PKCJLRZVMOAPME-FZKQIMNGSA-N 280.371 3.749 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1cccc(C#N)c1 611386964 XOVDAFAVAUUTDF-ZDUSSCGKSA-N 255.365 3.539 30 20 CHED Cc1c(C(=O)N(CCC#N)CC2CC2)oc2ccccc12 264014276 CMFLZUHCQVESGG-UHFFFAOYSA-N 282.343 3.507 30 20 CHED C=CCCC(=O)Nc1ccccc1SC[C@H](C)C#N 264572943 UXFXSVWLXRYUJI-GFCCVEGCSA-N 274.389 3.843 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H]1CC[C@H](SCC)C1 458987947 NJLSUHJGDNWTBC-OLZOCXBDSA-N 284.469 3.514 30 20 CHED CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)CS1 617099847 DHGMGIMQDZPQEJ-MAZHCROVSA-N 274.433 3.739 30 20 CHED Cc1cccc2c1CCCN2Cc1ccc(C#N)s1 611561116 MKSWNOFDSRGPDV-UHFFFAOYSA-N 268.385 3.881 30 20 CHED N#C[C@]1(F)CCN(C2c3ccccc3-c3ccccc32)C1 615640259 WYUHJCANAFVIOX-GOSISDBHSA-N 278.330 3.694 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C1 457087719 QRXODMVZJQJJJV-LBPRGKRZSA-N 288.366 3.596 30 20 CHED CCC[C@H](C)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 610592402 OBUXSGYAHRIIRL-UAGQMJEPSA-N 299.418 3.656 30 20 CHED C[C@H](Cc1ccc(F)cc1)N[C@@H]1CCc2cc(C#N)ccc21 618741769 IEESJPFMOUMEDC-BFUOFWGJSA-N 294.373 3.905 30 20 CHED CC(C)(C#N)CC(=O)Nc1nc2c(s1)CCCCCC2 278254797 MWVVUMNKYQQRPY-UHFFFAOYSA-N 291.420 3.680 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C)cc1NCC)OCC 276627254 NAQIFXBHXQNABI-INIZCTEOSA-N 290.407 3.737 30 20 CHED C=C1CCN(C(=O)C2(Cc3cccc(F)c3)CCC2)CC1 274840522 VJYLFFQEJDIRTH-UHFFFAOYSA-N 287.378 3.717 30 20 CHED C=C(C)[C@H](CC(=O)NC(C)(C)c1cccc(F)c1)OCC 270102265 ZRGZJYAXPYFKJX-HNNXBMFYSA-N 293.382 3.548 30 20 CHED C=C(CC)CNC(=O)[C@@H](CC)Sc1ccccc1 456830659 RNIUFVKQJYFGDI-CQSZACIVSA-N 263.406 3.640 30 20 CHED CO[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 364880360 KVLCFACBEZUDJC-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED C=CCCC(C)(C)NC(=O)CCN(C)C1CCCCC1 620857658 DOQMSHVMXIRUQH-UHFFFAOYSA-N 280.456 3.502 30 20 CHED Clc1ccc(C#CCS[C@@H]2CCCOC2)cc1 272505024 VAGHTHKTSDVVEE-CQSZACIVSA-N 266.793 3.604 30 20 CHED C=C(C)COc1cc(CNC2CC(F)(F)C2)ccc1OC 277386379 CWSBQJNZIAYNFS-UHFFFAOYSA-N 297.345 3.537 30 20 CHED C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 279700675 RCBRWPNGVPNMFN-AWEZNQCLSA-N 284.403 3.750 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(CCC#N)Cc1ccco1 279925294 XRYUIORHOLCEMD-ZBFHGGJFSA-N 288.391 3.738 30 20 CHED N#Cc1ccc(-c2nc(CCCc3ccsc3)no2)cc1 546505754 CUUCIXWSDSRGOV-UHFFFAOYSA-N 295.367 3.845 30 20 CHED CCc1cccc(N(C)C(=O)[C@H](C)c2cccc(C#N)c2)c1 457321426 AIKXLKDOKVKRHS-CQSZACIVSA-N 292.382 3.887 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(Br)cc1C 454264753 RMAYOLWKVQVMTA-UHFFFAOYSA-N 297.196 3.845 30 20 CHED C=C(CNC(=O)N1CC[C@@H](CC2CC2)C1)c1ccccc1 458770634 XXCMWTSXOPLCLK-INIZCTEOSA-N 284.403 3.531 30 20 CHED C=CCOCCCC(=O)N(CC)[C@@H](C)Cc1ccsc1 275144675 WJPNEXPWZPXOGD-AWEZNQCLSA-N 295.448 3.510 30 20 CHED N#CCN(Cc1ccc(-c2ccc(F)cc2)o1)C1CC1 271124151 GRGRIVDMUJCEDE-UHFFFAOYSA-N 270.307 3.574 30 20 CHED C=CCN(C(=O)c1cncc2ccccc12)C(C)(C)C 622943868 UZJRINUQEREDHI-UHFFFAOYSA-N 268.360 3.662 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)CCSCC 540486762 GHILXRBBQUCYAD-QWHCGFSZSA-N 272.458 3.562 30 20 CHED COc1cccc(-n2ccnc2S[C@@H]2CC[C@@H](C#N)C2)c1 278653718 WLBSYLFMEOUCMR-IUODEOHRSA-N 299.399 3.665 30 20 CHED C=CCNC(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 540986607 ABGXWHLZYHRUIC-CYBMUJFWSA-N 284.762 3.661 30 20 CHED CC(C)[C@@H]1C[C@H](/N=C/c2cc3ccccc3nc2O)CCO1 271313716 MMEXKSFZLXUCIC-GPOHSQBXSA-N 298.386 3.563 30 20 CHED COc1cccc([C@@H]2C[C@H](C)CN2c2ccc(C#N)nc2)c1 376357749 YSBMTUQUBFUKHW-UGSOOPFHSA-N 293.370 3.549 30 20 CHED C[C@@H](CNc1nc2ccccn2c1C#N)c1ccc(F)cc1 541114007 AFIKWUJCKXAHER-LBPRGKRZSA-N 294.333 3.561 30 20 CHED C=CCN(C(=O)c1ccc2c(c1)CCC2)C(C)(C)C 622942993 JOULANWVRIIRQO-UHFFFAOYSA-N 257.377 3.602 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(F)ccc1F 280737691 WMPUVFMTJCSVEX-OZVIIMIRSA-N 281.346 3.597 30 20 CHED C=CCN(C(=O)c1cc(CCC)c(C)s1)C1CC1 540192957 WAIGRGKMCZHVLB-UHFFFAOYSA-N 263.406 3.800 30 20 CHED N#CCN(Cc1ccc(Cl)nc1Cl)C1CCCC1 283163713 PCLIAZADYVLDAD-UHFFFAOYSA-N 284.190 3.657 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccc(C)cc1O 280227232 VCQZZEIDQHFFCN-QGZVFWFLSA-N 280.371 3.813 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccccc1SC 281506825 XDCGVUAANJAVOG-CQSZACIVSA-N 292.448 3.905 30 20 CHED C=CCCC(C)(C)NC(=O)c1ncsc1C(F)(F)F 622980872 NZERKPPRLXGESF-UHFFFAOYSA-N 292.326 3.637 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1c1cccc(Cl)c1 464751250 KWZZENMWHOTBDT-FZMZJTMJSA-N 278.783 3.761 30 20 CHED C=CCOCCCC(=O)N1CC(C)(C)[C@@H]1c1cccs1 288400023 PABFDBUPFUVVAI-HNNXBMFYSA-N 293.432 3.640 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1ccc2ccccc2c1 464747668 ANZLJMKSBQFQIK-ZDUSSCGKSA-N 268.360 3.556 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1OCC(C)C 280708937 HOGRKPAZKBQVDJ-UHFFFAOYSA-N 298.342 3.747 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)CC(C)(C)OC 466101519 OYWVUJYIKLGINY-CQSZACIVSA-N 284.444 3.578 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCc1cc2ccccc2o1 464158180 IGSLCIOKSCDSAC-SFHVURJKSA-N 298.386 3.810 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC(C)(C)CC1 558673702 LRXJVKZELQHDRG-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CCOCCCC(=O)Nc1ccc(CCCC)cc1 463236356 HAHFFMBGTWJRJQ-UHFFFAOYSA-N 275.392 3.951 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 466401281 HXINPPNCCFEOOL-HKUYNNGSSA-N 298.430 3.979 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 466642266 AYMPZCDAUMGGIG-KBPBESRZSA-N 297.320 3.843 30 20 CHED CC(C)COc1ccc(N[C@H]2CCC[C@H](C#N)C2)cn1 463246048 PDDFBASIWWWYNC-KBPBESRZSA-N 273.380 3.611 30 20 CHED CC#CCCN(C)Cc1ccc(Cl)c(Cl)c1 462318931 ZJOFOZUDPGRZRY-UHFFFAOYSA-N 256.176 3.839 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(NC(C)=O)cc1 281148493 ASFRNOJYEJNLRF-DOMZBBRYSA-N 260.381 3.650 30 20 CHED CC(C)(CCN[C@H]1CCc2ccc(C#N)cc21)C1CC1 559912223 ZXEUAQGSXAKUQZ-KRWDZBQOSA-N 268.404 3.961 30 20 CHED C=CCSc1ccccc1C(=O)N(C)[C@H](C)C1CC1 630639862 LGSNIKQNCFWDRI-GFCCVEGCSA-N 275.417 3.835 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Cc2ccncc2)cc1 285181483 ZMXZJHKRPWEKQH-SFHVURJKSA-N 293.370 3.551 30 20 CHED CC(C)C(CN1CCC[C@]2(CCCCO2)[C@H]1C#N)C(C)C 556617375 JMEFUMPTTDVTNX-QZTJIDSGSA-N 292.467 3.842 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C(C)(C)C(C)C)cc1 558286665 WVBMBISRWHTNHQ-OAHLLOKOSA-N 272.392 3.612 30 20 CHED C=CCCC1(C(=O)N(CC)CCc2cccs2)CC1 474791997 UULJVTUOTBMPGO-UHFFFAOYSA-N 277.433 3.886 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2nc(OC)ccc2c1 555786343 URILAVLITHNHNG-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C#CCC1(c2nc([C@](C)(CC)OC)no2)CCCCC1 290426220 JZIRBFACSCDEGQ-HNNXBMFYSA-N 276.380 3.566 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1c(C)noc1C 806004642 MEIGYGPEMXPGOI-UHFFFAOYSA-N 293.411 3.569 30 20 CHED CC(C)Oc1cccc(CN(C)[C@H]2CC[C@@H](C#N)C2)c1 293728816 GKYOONTUSCVQES-ZBFHGGJFSA-N 272.392 3.598 30 20 CHED CC(=NNCC1CCCC1)c1cnn(-c2ccccc2)c1C 808005845 KGZAKUGCEGZTIS-UHFFFAOYSA-N 296.418 3.685 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1nc(C(C)C)cs1 292977976 HRKIFKYEKFJKSO-UHFFFAOYSA-N 295.452 3.668 30 20 CHED CC(=NNc1nc[nH]n1)c1cc2c(ccc3ccccc32)o1 807996729 GCFXYBCIWVDEAP-UHFFFAOYSA-N 291.314 3.540 30 20 CHED C[C@H](Nc1cc(C#N)ncn1)c1cccc(Cl)c1Cl 569774176 SNRQYBIZNXFHHM-QMMMGPOBSA-N 293.157 3.828 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@@H]2CC[C@@H](C)C2)cc1 560708977 UPSQLGDDUZDNHT-GDBMZVCRSA-N 287.403 3.694 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F 293426772 ISFUFEMQOFVBQA-SWLSCSKDSA-N 293.382 3.620 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@H](C)C(C)C)c1 299182014 TZORSCDYTSNDLU-CYBMUJFWSA-N 276.380 3.760 30 20 CHED C=CCOCCCN1CCC[C@H]1c1cccc(C)c1 470721549 CPASNIHJTNGYSB-KRWDZBQOSA-N 259.393 3.725 30 20 CHED C=C(Cl)CN[C@@H](COC)c1cccc(Cl)c1F 806145840 HCWAXGQQNGWZAE-NSHDSACASA-N 278.154 3.509 30 20 CHED CC(C)CCOc1cccc(NC(=O)CCCC#N)c1 292370252 PLPMEIYNULEOII-UHFFFAOYSA-N 274.364 3.744 30 20 CHED C=CCC(C)(C)C(=O)Nc1nnc(-c2ccsc2)s1 295249722 MNLUIKTWPLQHBJ-UHFFFAOYSA-N 293.417 3.807 30 20 CHED Cc1ccc(SC[C@@H](C)Nc2cccc(C#N)n2)cc1 472659923 LUVFBLRYCQEYOZ-CYBMUJFWSA-N 283.400 3.854 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)c1ccc(F)c(F)c1 568621219 NWPCHLBQNFOPQB-UHFFFAOYSA-N 253.292 3.530 30 20 CHED C=CCCCCCCNC(=O)c1nc(Cl)ccc1F 805220517 UXHBTYGFMDEPQA-UHFFFAOYSA-N 284.762 3.740 30 20 CHED COc1cc([C@H](C)N[C@@H](CCC#N)c2ccccc2)ccn1 565217129 GSLRCWAINCKULP-YOEHRIQHSA-N 295.386 3.786 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCCc2nc(O)ccc21 298181163 CNFHASXWKFWBIV-CQSZACIVSA-N 290.407 3.641 30 20 CHED Cc1cc(C)c(C(=O)COc2cc(F)cc(C#N)c2)cc1C 390216640 YPORRLYAOKAMKH-UHFFFAOYSA-N 297.329 3.884 30 20 CHED C=CCCCCCCNC(=O)N(CC)CC1CC1 807569505 HGWKJWGMDZBWAH-UHFFFAOYSA-N 252.402 3.564 30 20 CHED CCC(CC)[C@@H](NCCO[C@H](C)C#N)c1ccccc1 801937150 FPFVKCFNJGORJU-RHSMWYFYSA-N 274.408 3.682 30 20 CHED C=CCC(CC=C)C(=O)OCc1cnccc1OC(C)C 806100812 HMAAUGBNWNPFCR-UHFFFAOYSA-N 289.375 3.680 30 20 CHED C=CC[C@@H](NCc1cccc(OC)c1F)c1ccncc1 800239394 QCPPETLYLOQCJO-OAHLLOKOSA-N 286.350 3.636 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 474583146 UMPVIOWPOIORHV-RYUDHWBXSA-N 289.341 3.970 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc2c(c1)C(=O)NCC2 648501242 MMKIRIKRJQYUDS-CYBMUJFWSA-N 272.392 3.519 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2ccsc2)CCC1 568943193 TXTCFBDLCBOXLL-GFCCVEGCSA-N 263.406 3.542 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ncsc1C(C)C 564522345 YLGRTPDEKWBPQE-LLVKDONJSA-N 266.410 3.741 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2ncsc2c1 487889103 SBRMLLBJLDJUEC-GFCCVEGCSA-N 287.388 3.869 30 20 CHED C=CCn1cccc1C(=O)N(C)C1CCC(CC)CC1 488391785 DIZBFJHOLNLAMG-UHFFFAOYSA-N 274.408 3.715 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 814304509 WKMLWKGXFDURQT-OAHLLOKOSA-N 292.810 3.500 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(C)c(C)c1O 811671660 JFOPYWFZWVLVJY-IMURNZGBSA-N 253.729 3.502 30 20 CHED C=CCCCCN[C@@H](C)c1noc(Cc2ccccc2)n1 569070675 WPOUARFGXHOWCY-AWEZNQCLSA-N 285.391 3.667 30 20 CHED C=CCN(CCC#N)C(=O)/C=C(/CC)c1ccc(C)cc1 814136374 BFKGTMQRHOZVNM-PEZBUJJGSA-N 282.387 3.717 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)c1cccc(CC#N)c1 489282887 DWOWPLPMJCUCPD-QGZVFWFLSA-N 284.403 3.938 30 20 CHED N#Cc1cnc(Oc2cccc(C=O)c2Cl)c(Cl)c1 814903627 RXDCNWCKOYEZJG-UHFFFAOYSA-N 293.109 3.865 30 20 CHED COc1cc(NCc2cc(C#N)ccc2F)c(C)cc1C 480278385 MMHHQFZJKSISRP-UHFFFAOYSA-N 284.334 3.935 30 20 CHED C=CCCCCCCCN1C(=O)[C@@H](C)N(C2CCC2)C1=O 811841629 NLUUJGQTSVFULH-CQSZACIVSA-N 292.423 3.718 30 20 CHED CCCCCCCCn1cnc(-c2nccs2)n1 810016745 YUZYLZLHRIPUEV-UHFFFAOYSA-N 264.398 3.762 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)c2cccc(F)c2O1 481826774 YCKSLNYDTNOGKJ-CYBMUJFWSA-N 296.345 3.679 30 20 CHED Cc1coc(-c2ccc(C)c(NC[C@@H](C#N)CCC#N)c2)n1 571552605 USBCYIYCLQLKJI-CQSZACIVSA-N 294.358 3.814 30 20 CHED C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC(C)(C#N)C1 578956826 YEAKNLVPYJEUDU-JTQLQIEISA-N 268.282 3.612 30 20 CHED Cc1cc2cc(C=NOCCOC(C)C)oc2cc1C 812240550 UPVWIFCGJAMDHG-UHFFFAOYSA-N 275.348 3.825 30 20 CHED N#CCCCC(=O)OC1c2ccccc2-c2ccccc21 812827702 JGTZAIBPPVXYDZ-UHFFFAOYSA-N 277.323 3.993 30 20 CHED C=CCCC(=O)OCC(=O)c1ccc(C(C)C)cc1 726651909 HLOJYFZYZAYZRT-UHFFFAOYSA-N 260.333 3.502 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc([C@](C)(C#N)CC)n1 575940888 QLNOQBJVGXWYMV-JMSVASOKSA-N 261.369 3.945 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1O 811697383 CLXHWWXWBKPTMY-VQHVLOKHSA-N 268.312 3.605 30 20 CHED Clc1ccc(C=NNCc2cnc3ccccc3c2)o1 814877337 VPRFZXNOCODLRZ-UHFFFAOYSA-N 285.734 3.605 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1c1nccc(C#N)c1Cl 573870886 MLBWTCGLHDYTJV-IUODEOHRSA-N 297.789 3.989 30 20 CHED c1ccc2nc(NN=C3C4CC5CC(C4)CC3C5)cnc2c1 727259019 ZSDSYPUINBPRPA-UHFFFAOYSA-N 292.386 3.854 30 20 CHED C=CCC(C)(C)CNCc1cncc(Br)c1C 657473214 GRGWNUQKVYQUHY-UHFFFAOYSA-N 297.240 3.844 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1CCCCC1 577250179 LNJVLQANBVECCY-LLVKDONJSA-N 289.354 3.788 30 20 CHED C#Cc1ccc(C(=O)Nc2ccccc2C(C)(C)C)nc1 728800083 KQFXKNCZTSLTIW-UHFFFAOYSA-N 278.355 3.613 30 20 CHED C=CCC1(NC(=O)Nc2ccc3c(c2)CNC3)CCCCC1 576567731 MUPQJPSGCNTJBS-UHFFFAOYSA-N 299.418 3.690 30 20 CHED CC(C)C[C@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 497215686 RQCUKPXSAQUTIJ-INIZCTEOSA-N 286.419 3.824 30 20 CHED Cn1c(Cl)nc(Cl)c1/C=C1/Cc2ccccc2C1=O 726876608 XJFFIVTUSCOVKY-CLFYSBASSA-N 293.153 3.549 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2cccs2)cc1F 727653399 NLFHIBORGCDYAB-VURMDHGXSA-N 275.348 3.849 30 20 CHED CCO/C=C/C(=O)Nc1ccccc1S[C@@H](C)CC#N 493085338 OYIXATQXNSSJMY-ZKQHCESOSA-N 290.388 3.570 30 20 CHED N#CCCCOC(=O)[C@H](OC1CCCC1)c1ccccc1 727017003 MMSCIPONXPUFKY-MRXNPFEDSA-N 287.359 3.534 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc(N2CCNC2=O)c1C 494478156 UZSOYNUECQYAKH-GXTWGEPZSA-N 287.407 3.537 30 20 CHED C=C(C)CN(C)C(=O)NCc1cc(Cl)cc(Cl)c1 661388555 BEURFYLTGURHNR-UHFFFAOYSA-N 287.190 3.711 30 20 CHED C=CC[C@@H]1N(Cc2cc(C)c(C(=O)O)o2)CCCC1(C)C 902544415 AYBLOEOOZCUWCH-AWEZNQCLSA-N 291.391 3.853 30 20 CHED Cc1ncccc1CSc1ccc(C#N)cc1F 589255971 PXVDGUWZBVWOTM-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#CC1(CCCCOC(=O)c2ncoc2C2CC2)CCC1 909346303 FGIYTWADCYEDJH-UHFFFAOYSA-N 288.347 3.573 30 20 CHED C=C(CNCc1occc1Br)c1ccccc1 735323672 APSIHTAYQOYHMG-UHFFFAOYSA-N 292.176 3.845 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1csc(C(=O)O)c1 730148255 CVUHRWGVXQTVPT-DUXPYHPUSA-N 294.278 3.621 30 20 CHED CCc1cccc2c1NC(=O)C2=NNc1ccccc1Cl 733077941 QNONXUGJTNLLRX-UHFFFAOYSA-N 299.761 3.671 30 20 CHED C=CCCNC(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 665941270 WDAKOGKBLSOMSF-JKSUJKDBSA-N 272.392 3.540 30 20 CHED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC1 583679386 RGSGSAFXVORECB-SNVBAGLBSA-N 288.416 3.873 30 20 CHED Cc1cccc2c1CCN([C@@H](C)c1ccc(C#N)cc1)C2 735670401 DNVIGECFPRDORC-HNNXBMFYSA-N 276.383 3.986 30 20 CHED C=CCC[C@@H](NC[C@@H](O)CCc1ccccc1)c1ccco1 583016255 PQEOVDDORSFFQI-ZWKOTPCHSA-N 299.414 3.870 30 20 CHED C#CCCCCCC(=O)NC[C@H](CC)CC(F)(F)F 839843567 ZAGFXXJZGKEQFT-GFCCVEGCSA-N 277.330 3.665 30 20 CHED C=CCCNC(=O)N(C)[C@H](C)c1cccc(Cl)c1 661572634 UZFPORYJNCYLTC-LLVKDONJSA-N 266.772 3.619 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)C2CC(C)(C)C2)cc1 839185587 XIUJPGXXIQLQNT-CYBMUJFWSA-N 272.392 3.598 30 20 CHED CC[C@@H]1CC[C@@H](C(=O)N(O)Cc2cccc3ccccc23)O1 901370589 AMFNYRSSVWOFQI-WBVHZDCISA-N 299.370 3.515 30 20 CHED CCc1cccc2c1OC/C(=C/c1ncc(C)s1)C2=O 834441304 GKLMKKFRIPNLSJ-GHXNOFRVSA-N 285.368 3.673 30 20 CHED CN(C)c1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1 731565524 RTJVPFVDDAANEI-LCYFTJDESA-N 297.329 3.550 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc(C(=O)O)cc2)c1 832935990 VRSGFZXBWHTQFR-VQHVLOKHSA-N 284.286 3.728 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1cccc(C#N)c1 903047276 KVGJMMMGKZKQIS-IBGZPJMESA-N 289.382 3.713 30 20 CHED Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCC(CCC#N)CC2)cc1 584841486 PFTYEYLXRXPOIB-MSOLQXFVSA-N 296.414 3.641 30 20 CHED C=CCC1(C(=O)OCc2coc(C(C)C)n2)CCCC1 835412897 GOCLEPNIOYNYJN-UHFFFAOYSA-N 277.364 3.978 30 20 CHED CC(C)CN(CCC#N)CCC1(C#N)CCCCC1 839495217 QHBMZMPUUPWRIZ-UHFFFAOYSA-N 261.413 3.722 30 20 CHED C#CCN(C(=O)Nc1ccc(SC)c(Cl)c1)C1CC1 836444040 LDPFFDIDBDHDKS-UHFFFAOYSA-N 294.807 3.691 30 20 CHED C=CCC1(C(=O)OCc2csc(Cl)n2)CCCC1 835325427 SXZYTHLCKFOQDV-UHFFFAOYSA-N 285.796 3.976 30 20 CHED CCCCCCCCCOC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 733841757 OWHXSICLJGPQPN-RBSFLKMASA-N 268.397 3.848 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)/C=C\c1ccccc1 917405033 ZBHHHSWEEYDYRK-KTKRTIGZSA-N 293.370 3.767 30 20 CHED CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)CC#N)o2)cc1 733710998 QBSGDEZLESOVCO-NSHDSACASA-N 297.310 3.608 30 20 CHED CC(=O)Nc1cccc(C(C)=NNc2cccc(C)c2)c1 916255096 ALTHSRPSXKEZQJ-UHFFFAOYSA-N 281.359 3.790 30 20 CHED Cc1ccc(-c2nc(C=NN[C@@H](C)C(F)(F)F)co2)cc1 835000768 MFZFBWAKLPKYIQ-JTQLQIEISA-N 297.280 3.524 30 20 CHED N#Cc1ccc(CSCc2cc3n(n2)CCCC3)cc1 593194461 GEKRZQCESUWHLJ-UHFFFAOYSA-N 283.400 3.524 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2cc(C)ccn2)cc1 918756764 PAWQIDZMFVJXII-HNNXBMFYSA-N 268.385 3.925 30 20 CHED Cc1cc(C)c(C=NNc2cccc([N+](=O)[O-])c2)cc1C 916269063 PILYPCHLROSHMG-UHFFFAOYSA-N 283.331 3.966 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1=C(CC)OCCC1 839892584 YATLPSTVNUUZBF-INIZCTEOSA-N 299.414 3.765 30 20 CHED CSCCCSCCc1ccc(C#N)cc1 594902328 IMMPENCJQNMTME-UHFFFAOYSA-N 251.420 3.587 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(C(F)F)c2)C1 839054075 UYGSMJIARRTQFG-MFKMUULPSA-N 279.286 3.863 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(C#N)cs1)CC2 748439826 ABKLZNQBVQKHKJ-NTUHNPAUSA-N 295.363 3.841 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(N(C)C)cc1 916248226 SVVFVFBUFRAYMY-UHFFFAOYSA-N 289.329 3.867 30 20 CHED CN(C(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C#N)cc1 749150373 KZOGGHGTAYTAIV-IZZDOVSWSA-N 296.757 3.888 30 20 CHED CCCCC(=NN=C(C)c1cnccn1)c1ccccc1 745209353 WMNVHVOQGWZKDU-UHFFFAOYSA-N 280.375 3.880 30 20 CHED C=CCCC(=O)OCCc1c(F)cccc1Cl 747697766 GVMMYNHYZKNCAB-UHFFFAOYSA-N 256.704 3.531 30 20 CHED CCCCCC[C@H](C)CC(=O)N(C)[C@H](C#N)CC 847168672 PNHAJEXNHNXIFZ-KBPBESRZSA-N 252.402 3.744 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccnn1CC(C)C 843270471 VMIMANDQWPNYIJ-SNAWJCMRSA-N 274.389 3.805 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc2c(c1)COC2 743420769 OVNMNBLRWJZMSL-UHFFFAOYSA-N 270.307 3.692 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NCCCC#N 595034947 ZTINGOKCEWBYMB-CQSZACIVSA-N 250.773 3.554 30 20 CHED CCOc1cccc(/C=N\CCc2cccc(C)c2)c1O 749103780 BNAAYQOWKGANNM-UYRXBGFRSA-N 283.371 3.761 30 20 CHED C#Cc1cccc(NC(=O)NC2[C@H](C)CCC[C@H]2C)c1 747968924 ACSKYXZKNVCAHZ-CHWSQXEVSA-N 270.376 3.614 30 20 CHED COCCCOc1ccc(-c2ccc(C#N)cc2C)cc1 596644484 IDHJOWFCKXJJSN-UHFFFAOYSA-N 281.355 3.949 30 20 CHED CCCCCCCCCCn1cnc([N+](=O)[O-])c1 915795241 AMDCTZKLPVAXLO-UHFFFAOYSA-N 253.346 3.932 30 20 CHED CC[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)[C@@H]1CC1(C)C 594048886 LVSLMZCZKNFQLY-COXVUDFISA-N 298.430 3.678 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 842333637 KOFSDNYEHOWTAO-KEYYUXOJSA-N 271.360 3.662 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCC(C)(C)CCC#N)c1 742370910 AKPULRZUHJUZLP-INIZCTEOSA-N 299.418 3.787 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(C#N)c(Cl)c1 590759520 DYLMHBIZSFSWPV-BZNIZROVSA-N 290.794 3.654 30 20 CHED N#CC1(C(=O)N2CC[C@H](C3CCCCC3)C2)CCCCC1 598151080 QPBHIPWVXPOTBL-INIZCTEOSA-N 288.435 3.889 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccc(C)o1 742581443 RYWIPMXPPSBVFE-GFCCVEGCSA-N 298.342 3.601 30 20 CHED C=CCOc1ccc(OC(=O)[C@H](C)c2ccc(C)o2)cc1 742860266 PRWMGWXDCADVGU-CYBMUJFWSA-N 286.327 3.862 30 20 CHED N#CC1(CC(=O)NCc2cccc3cc[nH]c23)CCCCC1 597546580 KOCMNKSPTQDQPU-UHFFFAOYSA-N 295.386 3.648 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(C(=O)NC)cc2)s1 912859226 IBSGDNNLZQEBTA-POHAHGRESA-N 299.395 3.566 30 20 CHED COc1cccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1O 846149160 WNJCKLCGRFVZNJ-OLZOCXBDSA-N 296.370 3.684 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)c(OC)cc1Cl 685105628 SAYXFIBALCDKRW-UHFFFAOYSA-N 282.771 3.697 30 20 CHED C=C(Cl)COC(=O)c1cc2c(C(C)C)nn(C)c2s1 745534413 DNDAFKCWGHKWOG-UHFFFAOYSA-N 298.795 3.668 30 20 CHED Cc1ccoc1C=NNc1ccc(OCC(F)(F)F)cc1 743437273 CFUZFTLOKOHVBO-UHFFFAOYSA-N 298.264 3.975 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N 598586873 JOEQRELWGGNYCK-WBVHZDCISA-N 288.435 3.588 30 20 CHED CCCCCCCC(=O)N(C)CC[C@@H]1CCCCN1C 742137976 PQWVYAMYIRHEPH-INIZCTEOSA-N 282.472 3.680 30 20 CHED CN(C)Cc1ccc(F)c(-c2ccc(OCCC#N)cc2)c1 596640667 ONOPISYUCNAHFV-UHFFFAOYSA-N 298.361 3.847 30 20 CHED CCCCCCCCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 745345908 NGPLOKCQTPJUSU-HOTGVXAUSA-N 297.487 3.519 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1ccc(Cl)s1 747849070 VBCWPPWTWWVYLG-QGZVFWFLSA-N 289.853 3.980 30 20 CHED Cc1cc(C)c(CNc2nc(C(C)(C)C)ccc2C#N)cn1 590737092 NFPSJYLUNYGCTE-UHFFFAOYSA-N 294.402 3.875 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@H](C)C1CC1 743684283 RQYTYVJLNLNTHE-HNNXBMFYSA-N 271.404 3.680 30 20 CHED COc1cccc(CCCOc2cccc(OCC#N)c2)c1 842109238 ZEIIGTCYIPMGPL-UHFFFAOYSA-N 297.354 3.609 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(C#N)s1)C2=O 748997107 FHYYROVROAYLJS-WQLSENKSSA-N 265.337 3.751 30 20 CHED CC[C@H](N[C@@H](C)CC(C)(C)C#N)c1c(C)noc1C 925637424 LCOVJMBLVRWRNJ-GWCFXTLKSA-N 263.385 3.661 30 20 CHED CC(C)c1ocnc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 748677146 KSAFOQQMXVWARR-NSHDSACASA-N 284.315 3.588 30 20 CHED CCCC[C@@H](CC)CNC(=S)N(CC)C[C@@H](C)C#N 920994539 DVRAKEPVIZUNCP-UONOGXRCSA-N 283.485 3.559 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)COc1ccc(F)cc1F 924767334 AKTAPDMEJPMNSP-NWDGAFQWSA-N 296.361 3.650 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCc2cc(OC)ccc2C1 680333417 AFJGTBIWLMIFMO-GRDNDAEWSA-N 273.420 3.743 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cccc(C#N)c1)C2=O 921264339 RMCJIEZNFQVPRC-CXUHLZMHSA-N 259.308 3.689 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1cncs1 754712786 TVOOQSGAAQRRJU-UHFFFAOYSA-N 286.278 3.965 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#N)ccc1F 854941724 KGZZVOUWWGZEMZ-HIFRSBDPSA-N 288.366 3.642 30 20 CHED CCCCCCCCOC(=O)C1(NC(C)=O)CCCCC1 920534625 UQOSQXDLKDCPRX-UHFFFAOYSA-N 297.439 3.729 30 20 CHED C=CCOc1cccc(NC(=O)/C=C2/CC[C@H](C)C2)c1 753594776 UNTGRBPKSYBCPM-UROBUVALSA-N 271.360 3.936 30 20 CHED COCC(=NOc1ccccc1C(F)(F)F)C(C)C 754709557 KOKBNNKVRYBMSF-UHFFFAOYSA-N 275.270 3.743 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1ccc(F)cc1)OCC 756476961 MFNCUBLAYVFYDI-DOMZBBRYSA-N 280.339 3.801 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C[C@@H](C)n1ccnc1 851143506 LWLMTKRFIZCKQM-RBSFLKMASA-N 276.380 3.512 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1ccc(F)c(F)c1 750395632 RIYQIQJAUQXNDU-MRVPVSSYSA-N 293.294 3.816 30 20 CHED CCC(=NNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 920386088 PROAPHUFVRZCJE-UHFFFAOYSA-N 287.294 3.960 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C[C@H](C)c1cnn(C)c1 851141623 BUWNVCXWVLYRGN-SQWLQELKSA-N 290.407 3.592 30 20 CHED CSc1ccc(/C=C\C(=O)N[C@](C)(C#N)C(C)C)s1 858978441 GYRGCBDNISVBLY-BRLPQQTGSA-N 294.445 3.538 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 926120150 UVPAJZZHMGZNSX-BZUAXINKSA-N 291.483 3.557 30 20 CHED C(CCCCOc1ccccc1)=NNC1CCCC1 753959129 DKWMWUVRLJLFHS-UHFFFAOYSA-N 260.381 3.754 30 20 CHED COc1ccc(/C=C2\Cc3c(OC)cccc3C2=O)cc1C 759664002 HSAJUXZYJOCQRU-GXDHUFHOSA-N 294.350 3.835 30 20 CHED CCCC(CCC)C(=O)OCC(=O)c1cccc(C#N)c1 753430938 KGOCRHLTICNTGO-UHFFFAOYSA-N 287.359 3.501 30 20 CHED CCCCCCCCNC(=O)N(C)C[C@H]1CCCCO1 754862883 PDVQWXVFCQCGCM-OAHLLOKOSA-N 284.444 3.557 30 20 CHED C=CC[C@H](NC(=O)NC1(CC(C)C)CC1)c1ccncc1 853748995 VTKDQRIIFXOSNJ-HNNXBMFYSA-N 287.407 3.577 30 20 CHED Cc1ccc(F)c(NN=C2[C@@H]3CCCO[C@@H]3C2(C)C)c1 759652626 KYIXEXRDSVGFAK-NHYWBVRUSA-N 276.355 3.737 30 20 CHED Cc1ccnc(NN=C2CCSc3c(F)cccc32)c1 755902720 MZIZFJKVEXVYGR-UHFFFAOYSA-N 287.363 3.841 30 20 CHED N#Cc1ccsc1NC(=O)N1CC[C@H](c2ccccc2)C1 931845953 FHXYQYVHCJMGLG-AWEZNQCLSA-N 297.383 3.641 30 20 CHED C=C[C@H](CC(=O)OCc1cccc(C#N)c1)c1ccccc1 758910217 FVNIMBWAHWMDFA-QGZVFWFLSA-N 291.350 3.961 30 20 CHED CCCCCCCNC(=O)c1csc(C(C)=O)c1 862356390 WXILWBWJGNWSSR-UHFFFAOYSA-N 267.394 3.651 30 20 CHED CC(C)(CC#N)COC(=O)Cc1ccc(F)c(Cl)c1 860658978 UICYFLNZYXQMRF-UHFFFAOYSA-N 283.730 3.505 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CCC(C)(C)C1 935765983 WBDSEAVIEZJLSR-CQSZACIVSA-N 270.376 3.517 30 20 CHED C=CCN(Cc1c(F)cccc1N1CCCC1)C(C)C 768549727 CGMYYISMIYHHDO-UHFFFAOYSA-N 276.399 3.822 30 20 CHED CCC(C#N)(CC)C(=O)OC/C=C/c1ccccc1 860195798 AMUHALZPYGXTCE-DHZHZOJOSA-N 257.333 3.573 30 20 CHED N#Cc1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(F)c1 52065078 LSGTWJSSXHBIFC-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(-c2ccnn2C)ccc1C 935800633 RKFYMVVUKHSUFD-CQSZACIVSA-N 297.402 3.936 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C[C@H](C)CC(C)(C)C 767160370 RDAGEBUXVCYJAB-LBPRGKRZSA-N 291.357 3.863 30 20 CHED CC1(C)CC(=NOCC(F)(F)F)c2ccccc21 764844648 LJJQSLDEKBKERE-UHFFFAOYSA-N 257.255 3.651 30 20 CHED CCC(CC)[C@H](C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 762019537 VXLHXLIMGGIHJL-JSGCOSHPSA-N 297.402 3.822 30 20 CHED C1=C[C@H]2C[C@H]1C[C@@H]2C=NNc1ccc2ccccc2n1 864372384 PIKCKXLIFCIVRA-AEGPPILISA-N 263.344 3.845 30 20 CHED COc1ccc(C(C)=NNc2ncnc3ccsc23)cc1 764839873 AZBDYXAJUHUAFH-UHFFFAOYSA-N 298.371 3.536 30 20 CHED COc1cc(F)ccc1NN=Cc1cc(F)c(F)c(F)c1 761889017 ASCWHQDZRQPLER-UHFFFAOYSA-N 298.239 3.698 30 20 CHED C=CCCC(=O)COC(=O)C[C@H](CC)c1ccccc1 761406093 LUUSMNLMMHISNZ-AWEZNQCLSA-N 274.360 3.649 30 20 CHED CCCCCCCNC(=O)c1sc(COCC)nc1C 862355450 IVOKNWJPFUCHLX-UHFFFAOYSA-N 298.452 3.688 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNc1ncc(F)cn1 760266157 QYCDVCROSDPRTQ-NSHDSACASA-N 264.348 3.620 30 20 CHED CCCCCCCNC(=O)Nc1c(C)ccnc1C 861093921 JNJVXHNZKADOIL-UHFFFAOYSA-N 263.385 3.790 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1ccc2c(c1)CCC2 768508775 KNPUMCLANKJJMH-UHFFFAOYSA-N 299.414 3.981 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1c(C)cccc1Cl 865279518 JRQIAQPOIAAEAM-JTQLQIEISA-N 269.797 3.895 30 20 CHED CCCCCCCN1CCC([C@@](C)(O)C(F)(F)F)CC1 767903926 BEMZFKRYKOEXLU-CQSZACIVSA-N 295.389 3.982 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCC1CCC1 768749269 XVNNPUKVLIDDQK-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C(=NOC1CCCC1)c1coc(-c2ccccc2)n1 774603135 NNCCMXHROYRYKJ-UHFFFAOYSA-N 256.305 3.635 30 20 CHED Cc1cccc(OC(=O)Cc2ccccc2CC#N)c1Cl 774657138 JPWVBQUUCWXMBW-UHFFFAOYSA-N 299.757 3.863 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)C1(C#N)CCC1 1116095553 PNBAASQDMNSEOD-KFWWJZLASA-N 276.424 3.505 30 20 CHED CCN(Cc1ccccc1F)C(=O)Nc1cccc(C#N)c1 1115911472 HGEIODAYFSFOLA-UHFFFAOYSA-N 297.333 3.751 30 20 CHED Cc1c(C(=O)OCC2(C#N)CC2)sc2cccc(F)c12 775839908 VNKIURFNFLYQND-UHFFFAOYSA-N 289.331 3.809 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 777912277 NSLLUQSWECHJFI-XYOKQWHBSA-N 283.258 3.556 30 20 CHED Cc1cccc(C2(C(=O)Oc3ccc(C#N)cc3)CCC2)c1 874096905 GYXAREQGLIYHRE-UHFFFAOYSA-N 291.350 3.894 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 779914148 NTYDIKITRVBXOP-RDJZCZTQSA-N 293.451 3.528 30 20 CHED COc1ccc(NN=CCCc2ccc3c(c2)CCO3)cc1 774395920 WJCKSNIGCOOWFD-UHFFFAOYSA-N 296.370 3.661 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2cc(C)cc(C#N)c2)cc1 1129685683 PQEFNDPQJLMTJN-UHFFFAOYSA-N 292.338 3.712 30 20 CHED COC(=O)c1cccc(NN=C[C@@H]2CCC[C@H](C)C2)c1 779826174 GUZXALSSVVYSSV-QWHCGFSZSA-N 274.364 3.697 30 20 CHED CN(C(=O)OC(C)(C)C)C(C)(C)C=NOC1CCCCC1 777457317 QPDUTNRHYHDDJR-UHFFFAOYSA-N 298.427 3.967 30 20 CHED CCC(CC)N(CC(C)C)C(=O)Nc1ccc(C#N)cn1 889228238 KSZDHMMPVTWDCP-UHFFFAOYSA-N 288.395 3.632 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(C#N)c1 1125865819 JBGPWINLBUXFRF-YOEHRIQHSA-N 284.403 3.955 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)CC1CCCCC1 884477372 VBAKFELSOYFJFX-UHFFFAOYSA-N 287.359 3.833 30 20 CHED C[C@H]1CC[C@@H](CCC(=O)O[C@H](C)c2cccc(C#N)c2)O1 1127091467 QLKKWBVJFKOLSS-ZENOOKHLSA-N 287.359 3.510 30 20 CHED Cc1cnccc1C(=O)OCc1ccccc1C(C)(C)C#N 786046097 WOGRYLAEBFUAAG-UHFFFAOYSA-N 294.354 3.548 30 20 CHED CCCCOc1ccc(C(=O)/C=C\c2cn(C)nc2C)cc1 789158874 ZKZBXFRVDYUNSF-FLIBITNWSA-N 298.386 3.804 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1F 782327819 HNRSPNHAWMJSHI-SOFGYWHQSA-N 295.313 3.992 30 20 CHED CC(=NNCCc1ccncc1)c1cc2ccccc2s1 789098012 ZHFCGRMWXACBNZ-UHFFFAOYSA-N 295.411 3.853 30 20 CHED C=C(C)CCC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 1121035375 MWLSHCPPRQHROX-UHFFFAOYSA-N 282.727 3.851 30 20 CHED C=CCCO[C@H](C)C(=O)OCCCc1ccccc1Cl 785246293 YMYHKYLXVOBQIS-CYBMUJFWSA-N 296.794 3.797 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1ncncc1Cl 780279948 KAJFBTGYVBRWCT-SNVBAGLBSA-N 268.792 3.990 30 20 CHED CCCCCCCCCC(=O)Nc1nnc2n1CCCC2 780793587 RXSXZNKFYSIHJO-UHFFFAOYSA-N 292.427 3.694 30 20 CHED O=C(/C=C\c1cc(Cl)cs1)c1cscn1 782352858 WKDUUNIASQBZFJ-UPHRSURJSA-N 255.751 3.754 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@H](CC)CCCC)CC1 899588885 ABBLSEQPSUMHRS-OAHLLOKOSA-N 281.440 3.523 30 20 CHED CCC(=NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1 789071090 OOARNLOKPBJACI-UHFFFAOYSA-N 291.354 3.754 30 20 CHED N#CC1(CCCCSCC2CCNCC2)CCC1 899633414 XJFDGBKJPZRKBP-UHFFFAOYSA-N 266.454 3.583 30 20 CHED CC(C)(C)c1cnc(CNCc2ccc(C#N)cc2)s1 790462831 FVOYYISASRHLMV-UHFFFAOYSA-N 285.416 3.602 30 20 CHED Cc1ccc(C(=O)Oc2cccc(C)c2F)cc1C#N 799363644 JXAGGNUCLQGOLT-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C[C@H](Cc1ccsc1)Nc1ccc(CC#N)cc1 546255923 VZSOOZPIRKRJGB-GFCCVEGCSA-N 256.374 3.857 30 20 CHED Oc1cccc2c1CCCC2=NNc1cccc(Cl)n1 793173722 BKATXRPQQOPCPN-UHFFFAOYSA-N 287.750 3.593 30 20 CHED CCC(C)(C)CN[C@@H](C)c1ccc(OCC#N)cc1 189991509 AEVPIDCWKBODBW-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCCCCF 556498087 WLWCJZODFXXLPQ-DLBZAZTESA-N 274.383 3.898 30 20 CHED C=CCCCOC(=O)c1ccc(OCC)c(OCC)c1 735529061 UXPYLKRGPWIHJU-UHFFFAOYSA-N 278.348 3.607 30 20 CHED C#CCCCCC(=O)N1CC[C@H](C2CCCCC2)C1 708816053 ATHKCFFWHTYBLX-INIZCTEOSA-N 261.409 3.609 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(F)c(C#N)c2)oc1C 799898432 ZGVCVBVSDXGQJH-GQCTYLIASA-N 269.275 3.803 30 20 CHED COc1ccc(CNc2ccc(Cl)nc2C)cc1C#N 193343234 ISFPJERDISRFOL-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C[C@H](C=NNc1ncccc1F)c1ccc(F)cc1 794990065 MMZXVYORRNVIBL-SNVBAGLBSA-N 261.275 3.561 30 20 CHED C[C@H](NN=Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C 793113154 ZXJPABNJICEZAS-VIFPVBQESA-N 283.759 3.606 30 20 CHED C[C@]1(C=NNc2ccc([N+](=O)[O-])cc2Cl)CCCS1 793005511 VKGQVZKDPMOPGZ-GFCCVEGCSA-N 299.783 3.932 30 20 CHED CC1(C(=O)Nc2cc(F)cc(C#N)c2)CCCCC1 720258140 CCYCAUFJXYUBEO-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H]([C@H](C)O)C1 780803488 MFOQRPHASWJFDA-HOTGVXAUSA-N 283.456 3.747 30 20 CHED C#Cc1cccc(N(C)C(=O)c2scc(C)c2Cl)c1 790582602 QKHIEZLTAXMRLY-UHFFFAOYSA-N 289.787 3.968 30 20 CHED Cc1ccsc1C=NNc1ccc(C(C)(C)C)nn1 1318928423 INJMPSMTWLDPDP-UHFFFAOYSA-N 274.393 3.590 30 20 CHED Cc1ccccc1N(C)Cc1ccc(F)cc1C#N 1654319229 VOCRSJOWKSKEFL-UHFFFAOYSA-N 254.308 3.642 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc(-c2cccs2)s1 1329040069 YUMOFFJUZSWFFG-JTQLQIEISA-N 290.413 3.851 30 20 CHED C=CCCO[C@H](C)C(=O)NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1324478315 JZFSVNFHADREGS-WCXIOVBPSA-N 295.467 3.792 30 20 CHED CC(C)(C)c1cc(-c2nnc(-c3ccc(C#N)cc3)o2)no1 1324099175 HVCVAZWRVWXCOA-UHFFFAOYSA-N 294.314 3.561 30 20 CHED N#Cc1ccc(-c2nnc(-c3cncc4ccccc34)o2)cc1 1328347548 GITXOETXZAKZHZ-UHFFFAOYSA-N 298.305 3.823 30 20 CHED Cc1cc(=N[C@H]2CCC[C@H](C(C)C)CC2)c(C#N)c[nH]1 1650991443 RNQHSWRZFUTJIO-HOCLYGCPSA-N 271.408 3.700 30 20 CHED CSc1ccccc1C(C)=NO[C@H]1CCCCO1 1256576117 XMNTZKFXQPRETE-AWEZNQCLSA-N 265.378 3.676 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C)n([C@@H](C)CC)n1 1336218779 RKOFGPLHJNUIMX-DZGCQCFKSA-N 289.423 3.733 30 20 CHED C[C@H](C(=O)O[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 1343385126 IURLIUJILWNQAJ-MJVIPROJSA-N 277.751 3.679 30 20 CHED N#C[C@@H](C(=O)CC1CCCCCC1)c1cccc(F)n1 1347121804 DTKVGDBMJGIDTQ-CYBMUJFWSA-N 274.339 3.757 30 20 CHED C=C(C)CCC(=O)N(CCC)Cc1ccc(OC)cc1 1262634226 DDDRHVIKUUMLJO-UHFFFAOYSA-N 275.392 3.790 30 20 CHED CC(=O)c1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1 1264068600 WLXYTHXXIPBLFU-QGZVFWFLSA-N 292.338 3.525 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 1262612588 HVPYRWRCVXJCSV-DOTOQJQBSA-N 271.404 3.822 30 20 CHED CCc1sc(C(=O)[C@@H](C#N)c2cccc(F)n2)cc1C 1347105729 AMNXZOHIQQCNQC-JTQLQIEISA-N 288.347 3.643 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)nc1Cl 1344761468 IXCFPJFCCACNPU-NSHDSACASA-N 279.771 3.616 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N1CCC[C@@H]1C1CCC1 1262958255 WFGKAQNVGAZHRV-MRXNPFEDSA-N 298.434 3.667 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)c1cccnc1)c1cccs1 1343903037 XKVQKYDMDYJLIG-BXUZGUMPSA-N 286.356 3.591 30 20 CHED Cc1cccc2c(C(=O)NCc3cccc(C#N)c3)coc12 1355469432 VZIFABOSWODZNT-UHFFFAOYSA-N 290.322 3.543 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](c1ccccc1)C(C)C 1352350324 ZGEGPMWCGHYLJH-SFHVURJKSA-N 292.382 3.994 30 20 CHED Cc1ccc(CNc2cccc(OCC#N)c2)cc1F 110975833 YDEISUCODAAQRO-UHFFFAOYSA-N 270.307 3.649 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@@H]2CCCC[C@@H]2C1 111036075 WQONMORLPMCKCU-QWHCGFSZSA-N 258.340 3.714 30 20 CHED C=C(Br)CNCc1c(Cl)cccc1CC 1473988668 QFTQPFWZFCVTLX-UHFFFAOYSA-N 288.616 3.901 30 20 CHED COc1ccc(Cl)cc1CNc1cc(C)c(C#N)cn1 1611896042 MBMZPIJSWSJCRP-UHFFFAOYSA-N 287.750 3.536 30 20 CHED CCCSc1cccc(N[C@@H]2CC[C@H](C#N)C2)n1 1621474418 VDGKPMYDVSMUBQ-NWDGAFQWSA-N 261.394 3.688 30 20 CHED C=C(Cl)CNCc1c(Cl)ccc2cccnc12 1620809762 ODFPNUZFPPVDAY-UHFFFAOYSA-N 267.159 3.730 30 20 CHED CC1(Nc2ccc(C#N)c(Br)c2)CCC1 228195769 QRKMQHYFAVRVCY-UHFFFAOYSA-N 265.154 3.675 30 20 CHED COc1ccc(NC(=O)C2=CCC(C)(C)CC2)cc1C#N 1558011239 JRTNVVXXINANNY-UHFFFAOYSA-N 284.359 3.642 30 20 CHED Cc1c(Cl)nnc(N[C@@H](C)c2ccc(C#N)cc2)c1C 229254089 GWJTXAIYYJJVFI-NSHDSACASA-N 286.766 3.792 30 20 CHED COc1cc(C#N)ccc1CN1CCCc2cccc(F)c21 1644910632 NLVDKEDDJMMCHV-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C=CCC1(C(=O)Nc2cc(C)cc(C(=O)O)c2)CCCC1 1573353286 TWZVSWNDSAIGEE-UHFFFAOYSA-N 287.359 3.768 30 20 CHED CCCCCCCC[C@@H](C)C(=O)N1CC[C@@](C)(C(=O)O)C1 1573840627 INPMBKHRPZVGLF-RHSMWYFYSA-N 297.439 3.696 30 20 CHED C#CCCCCCCSc1ccccc1-c1nn[nH]n1 1588345652 HVKIRWWDUFCZLO-UHFFFAOYSA-N 286.404 3.543 30 20 CHED CCCN(CC1(CC#N)CC1)[C@@H]1C[C@@H](OCC)C1(C)C 1652536749 KBSPKHPCNMQQET-HUUCEWRRSA-N 278.440 3.596 30 20 CHED Cc1ccc([C@@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1652293650 JNMNSICXLWVHKZ-BEFAXECRSA-N 294.398 3.593 30 20 CHED C=C(C)c1cccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)c1 1588605526 KVCLJCIUHSOMNW-LQKXBSAESA-N 271.360 3.631 30 20 CHED Cc1ccccc1SC[C@@H](C)CN(C)[C@H](C)CC#N 1652893741 WAXOLGOYQPADNO-DZGCQCFKSA-N 276.449 3.957 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)NC[C@@H](C)C#N)c21 1673158459 SWDCVXZYGXAVIU-RYUDHWBXSA-N 285.391 3.753 30 20 CHED N#Cc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 6375116 IVQQTYAQOMNDAG-UHFFFAOYSA-N 282.368 3.751 30 20 CHED CCC(=NNc1ccc(CC(=O)O)cc1)c1ccc(C)cc1 1776083892 FZXODJQATUKYRM-UHFFFAOYSA-N 296.370 3.848 30 20 CHED N#Cc1ccc(CCC(=O)N2CCC3(CCCC3)CC2)cc1 150888120 YENKVAZWVTWEFK-UHFFFAOYSA-N 296.414 3.674 30 20 CHED Cc1ccc(C#N)c(NCc2ccccc2OCC2CC2)n1 161531037 HNOBDUJXBORULL-UHFFFAOYSA-N 293.370 3.663 30 20 CHED C=CCN(C)C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 161545218 HWVLRRRSHWSENV-NSHDSACASA-N 285.309 3.528 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C 162218601 IZCFHROTHKQNDR-CQSZACIVSA-N 260.381 3.601 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](C)[C@H](CN)C1 163709365 FGOOZANNEGWMOG-HZPDHXFCSA-N 282.472 3.570 30 20 CHED C[C@H](Nc1nc(Cl)cs1)c1ccc(C#N)cc1 164987913 KWNFXXVRVOBRRU-QMMMGPOBSA-N 263.753 3.841 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc2occc2[nH]1 151304954 UHBVEGJXUAFFKQ-UHFFFAOYSA-N 286.356 3.651 30 20 CHED C=CCCSCc1nc(-c2cccs2)no1 151946138 FWMNWUPNPDJCIG-UHFFFAOYSA-N 252.364 3.607 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 153153064 JLLFWIGONGBRKL-BBRMVZONSA-N 295.810 3.648 30 20 CHED C[C@@H]1C[C@@H](N(C)CCCCC#N)CCN1Cc1ccccc1 157071029 QQFKYVGGBQEODY-MJGOQNOKSA-N 299.462 3.665 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H]1c1ccsc1 156107265 MHSYSXUYUSLNIF-INIZCTEOSA-N 298.411 3.965 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)CC1=CCCCC1 155181522 AJGPCNCWAOXYDF-UHFFFAOYSA-N 287.334 3.667 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cccc(O)c1 209439739 GDIITCLGSYTERE-CLFYSBASSA-N 268.312 3.605 30 20 CHED C#Cc1ccc(CN[C@H](C)c2ccc(C)s2)cc1 809609293 GSQPSUYWCPMPJE-CYBMUJFWSA-N 255.386 3.889 30 20 CHED COc1ccc(C#N)cc1CNc1cccc(Cl)c1F 129248049 RJCNOUCOVRASCO-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCc1ccccc1C(=O)Nc1ccc(F)cc1C#N 135273765 JSICKZKWKDIPOW-UHFFFAOYSA-N 268.291 3.512 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1CCCc2sccc21 137564455 JAQFMIQORDQSDR-CYBMUJFWSA-N 282.368 3.678 30 20 CHED Cc1ccc(N(C)C(=O)C2(C#N)CCCCC2)c(C)c1 49083112 PDOOHVCBDMOFFI-UHFFFAOYSA-N 270.376 3.740 30 20 CHED COc1ccc(CNc2cnc(Cl)c(C)c2)cc1C#N 181983087 TUQPPLDCBZUCCL-UHFFFAOYSA-N 287.750 3.536 30 20 CHED CSC1(CNc2ccc(C#N)cc2C(F)(F)F)CC1 302790750 AAHPSSAEKKCVPN-UHFFFAOYSA-N 286.322 3.885 30 20 CHED Cc1c(Cl)cccc1C(=O)N[C@H](C#N)C1CCCCC1 195205999 ZTCOIPOYBKHFDU-OAHLLOKOSA-N 290.794 3.851 30 20 CHED N#Cc1sc(N2CC[C@H]3CCCC[C@H]3C2)nc1Cl 311136432 KMHFUDOEWPDLHZ-ZJUUUORDSA-N 281.812 3.685 30 20 CHED N#Cc1cc[nH]c(=N[C@H](c2ccccc2)C2CC2)c1Cl 561099862 ADLDCXHPTIRLJP-OAHLLOKOSA-N 283.762 3.592 30 20 CHED C=CCN(CC=C)CC[C@H](C)OCc1ccccc1 354889467 IVVDZIXOSVQXHW-INIZCTEOSA-N 259.393 3.656 30 20 CHED C=CCCCCN[C@@H](C)CCc1ccc2c(c1)OCO2 380393889 OALQMVQJGJQJEG-AWEZNQCLSA-N 275.392 3.682 30 20 CHED C=CCCSCCNCc1csc(C(C)C)n1 696369772 SCSLWCHAUOVQKQ-UHFFFAOYSA-N 270.467 3.665 30 20 CHED N#Cc1ccc(NC2CCC(F)(F)CC2)c(F)c1 390032198 YUOXONBEMUHJML-UHFFFAOYSA-N 254.255 3.687 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)nc1C 808782587 ZCGYHAOMEFHFFU-SNVBAGLBSA-N 299.201 3.878 30 20 CHED C=CC[C@@H](CC)Nc1nc(C(F)(F)F)ccc1C#N 393754240 VROQEGHUPMVYIZ-SNVBAGLBSA-N 269.270 3.739 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 426894677 CZAXYPUDPGNCDN-GXFFZTMASA-N 283.297 3.734 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)c1ccccc1 6448153 MKDYVYYMZVPWJY-ZIAGYGMSSA-N 295.338 3.630 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 57711732 OQVPAXOSFDRPHN-UHFFFAOYSA-N 297.358 3.798 30 20 CHED N#Cc1ccc(O)c(NC(=O)c2ccc3ccccc3c2)c1 176822212 IKDXDEJYKTVDFA-UHFFFAOYSA-N 288.306 3.669 30 20 CHED CCCCCCCCN1CCC(C)(C(=O)O)CC1 112498228 DIVRESVKKVJSAI-UHFFFAOYSA-N 255.402 3.534 30 20 CHED CN(CCCOc1ccccc1)Cc1ccc(C#N)s1 119168557 QXCWWWPQBLJJFR-UHFFFAOYSA-N 286.400 3.521 30 20 CHED C=CCS[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 114756831 WWEWMHOTLRZZMV-MNOVXSKESA-N 283.824 3.825 30 20 CHED C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1F 108972031 LLKUAJBAXWCRQJ-SNVBAGLBSA-N 286.281 3.579 30 20 CHED CCCCc1nc(CSc2ccccc2C#N)no1 172681833 UHBYSPOFZFUAQS-UHFFFAOYSA-N 273.361 3.576 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCC1CCOCC1 173358454 FGOMZPZITJNTFB-UHFFFAOYSA-N 293.451 3.788 30 20 CHED CC(C)Oc1ccccc1C(=O)Nc1cccc(C#N)c1 20289655 AYWPGULOAGLYMH-UHFFFAOYSA-N 280.327 3.598 30 20 CHED C=CCCCCNc1nc(-c2ccncc2)nc2c1CCC2 302241385 IKEIEXBHPJARNV-UHFFFAOYSA-N 294.402 3.796 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c1 110571126 RULGQICADCNXKL-QZTJIDSGSA-N 290.366 3.624 30 20 CHED Clc1cccc(C=NOCC[C@H]2CCOC2)c1Cl 1345154405 IZJPEADKBXOZLF-SNVBAGLBSA-N 288.174 3.771 30 20 CHED CSCC[C@@H](C)N(C)c1ccc2cc(C#N)ccc2n1 301801998 CONRVSVZCVOMBM-GFCCVEGCSA-N 285.416 3.684 30 20 CHED CCCCC[C@H](C(=O)NCCCCC#N)C(C)C 176173898 DTDPAYVZVKGABG-AWEZNQCLSA-N 252.402 3.649 30 20 CHED C#CCCSc1nnc(-c2cccc(C)c2)n1CC=C 179260333 QPHHUMSPYWOVEI-UHFFFAOYSA-N 283.400 3.555 30 20 CHED CC(C)CN(C(=O)c1cccc(SCC#N)c1)C(C)C 175593111 KXCOQJOEZDXIRX-UHFFFAOYSA-N 290.432 3.809 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]3OCCC[C@H]23)cc1C(F)(F)F 302551878 KEYYFGGIFCSOTP-MRVWCRGKSA-N 296.292 3.556 30 20 CHED CC(C)(C#N)CCCN(Cc1cccc(O)c1)CC1CC1 174837173 LFAOTGKAHYYJGV-UHFFFAOYSA-N 286.419 3.934 30 20 CHED C#CCCCCC(=O)N(C)[C@H](C)c1sc(CC)nc1C 120201307 MWAAPQMWCCNZMO-CYBMUJFWSA-N 292.448 3.727 30 20 CHED Cc1c(C#N)cccc1NC(=O)C(C)(C)c1ccc(F)cc1 178632403 ZLFUJBWDUSQNTL-UHFFFAOYSA-N 296.345 3.922 30 20 CHED C[C@@H]1CCN(c2ccc(C#N)c(Br)c2)[C@H](C)C1 300295749 QSBSZPMMZVALAL-GHMZBOCLSA-N 293.208 3.946 30 20 CHED COCc1cccc(OCCCOc2cccc(C#N)c2)c1 171980569 NNHOHNUNYPQXAH-UHFFFAOYSA-N 297.354 3.553 30 20 CHED COC(=O)c1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1 303261812 FHODZOSJIOUADZ-YBEGLDIGSA-N 292.334 3.604 30 20 CHED C[C@H]1CC[C@H](C)N1c1ccc(C(F)(F)F)cc1C#N 301920851 XGOQYEZEHALHRT-UWVGGRQHSA-N 268.282 3.954 30 20 CHED CCc1ccc(CN(c2ccc(C#N)cn2)C2CC2)cc1 301099898 SXUQBBLZTVSJBU-UHFFFAOYSA-N 277.371 3.685 30 20 CHED Cc1cccc([C@H](C)CNc2ccc([N+](=O)[O-])c(C#N)c2)c1 302200249 RFXKZTNYXAIEEK-CYBMUJFWSA-N 295.342 3.991 30 20 CHED C(=NOCc1ccccc1)c1ccc(N2CCCC2)cc1 309957489 UDFMBIRJNGCMTC-UHFFFAOYSA-N 280.371 3.838 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1OC(F)F 409558929 ZYYYRZFZIIZRLP-CHWSQXEVSA-N 284.281 3.660 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 180423196 QKHCYNAVELLICB-LBPRGKRZSA-N 299.336 3.919 30 20 CHED CCOc1cccc(C(=O)N(CCC#N)C(C)(C)CC)c1 187517428 WAVJUVWKEUXARO-UHFFFAOYSA-N 288.391 3.630 30 20 CHED CC[C@H](C)[C@@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 315491176 WZXVEERNKMPEBE-GOEBONIOSA-N 286.419 3.872 30 20 CHED N#Cc1cccc(OCCSCCc2ccccc2)c1 504444912 WGPOSYXPUWWDEA-UHFFFAOYSA-N 283.396 3.913 30 20 CHED COc1cc(C)cc(CNc2ncc(C#N)cc2Cl)c1 128040218 GRGCKGHJVQWIMX-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C=CCn1c(C)nnc1S[C@H](C)c1cc(F)ccc1F 71996602 JRCUYFXVETVVSU-SECBINFHSA-N 295.358 3.904 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCCC2(CC2)C1 186998471 CMKKIWLKYOUQTI-UHFFFAOYSA-N 268.404 3.864 30 20 CHED C=CCCC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 180470264 PEOXRZIDBHQBIZ-UHFFFAOYSA-N 288.225 3.518 30 20 CHED CC#CCCCC(=O)NC[C@H](c1ccccc1)C(F)(F)F 187771151 RQEIWSJVNWXVMK-CQSZACIVSA-N 297.320 3.642 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CC)c1cc(F)ccc1F 77579442 RLPBLCCYAFKWCD-HZMBPMFUSA-N 282.334 3.680 30 20 CHED CCC1(C(=O)Nc2cnc(C#N)c(Cl)c2)CCCC1 411030462 KEZLRMPERJEEBY-UHFFFAOYSA-N 277.755 3.516 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc(CC)o2)n1 508671074 KHAXNJTYCUMLNP-NTMALXAHSA-N 258.321 3.904 30 20 CHED N#Cc1cc(NC(=O)c2cccn2C2CCCC2)ccc1F 181501894 BSUVHRXIBQXHRX-UHFFFAOYSA-N 297.333 3.866 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C)CSC)c1ccccc1 188132158 AQLOAPUSPYWXGR-UKRRQHHQSA-N 277.433 3.604 30 20 CHED C=CC1CCN(C(=O)[C@H]2C[C@@H]2c2sccc2C)CC1 122224638 KOQSLMXHPGLUFU-KBPBESRZSA-N 275.417 3.585 30 20 CHED C=C(C)CSCC1CCN(C(=O)C(C)(C)C)CC1 185596081 LHJLUKHOVYMRSS-UHFFFAOYSA-N 269.454 3.580 30 20 CHED C[C@@H](O/N=C1/CCCOCC1)c1ncc(C(C)(C)C)o1 180489978 IIRHZRRAKCHTNH-NVGQTZGUSA-N 280.368 3.606 30 20 CHED C=CCOCCCSCc1ccc(C(C)=O)cc1 419470101 DYRKMQXYIXMHAS-UHFFFAOYSA-N 264.390 3.715 30 20 CHED C#CC[C@H](OC(=O)c1oc(-c2ccccc2)nc1C)C1CC1 181785910 KFXMMKXCUZTAJM-HNNXBMFYSA-N 295.338 3.609 30 20 CHED COc1ccc(-n2ccnc2S[C@H](C)CCC#N)cc1 188260720 LKWJYNNXIXQUST-GFCCVEGCSA-N 287.388 3.665 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)ccc1Br 181843276 CQQPYRCZUVCNRI-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=C(C)CCN[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 509595208 ZUMKREHEPXLYRV-ZDUSSCGKSA-N 285.391 3.916 30 20 CHED Cc1nc(CC/N=C(/O)[C@@H]2CCC[C@@H](C)C2)c(C)o1 328919618 ASTACNHBWSTAJS-ZWNOBZJWSA-N 264.369 3.617 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1ccc(F)cc1F 133174557 XMBIVVMEVJPYMU-FNORWQNLSA-N 284.265 3.509 30 20 CHED C[C@@]1(CO)CCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 136954789 YNFYLLOHVJYERY-KBPBESRZSA-N 298.308 3.540 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccccc1CC#N 410827812 LZPQGAKUSSIGOL-CYBMUJFWSA-N 258.365 3.763 30 20 CHED COc1ccc(CCCN(C)c2cccc(F)c2C#N)cc1 195594040 BGRYGDVDFGZPJD-UHFFFAOYSA-N 298.361 3.775 30 20 CHED C=C[C@H](CC(=O)Oc1ccc(C#N)cc1)c1ccccc1 136207259 VPNHIIHNRXAWDL-OAHLLOKOSA-N 277.323 3.824 30 20 CHED O/C(=N/C1CCCCC1)Nc1cc(C2CC2)ccn1 329506088 ITOMRDUSMHUCSR-UHFFFAOYSA-N 259.353 3.618 30 20 CHED COc1cccc(/C=C/C(=O)c2ccccc2F)c1F 195501868 JCVKXELFOASHDR-MDZDMXLPSA-N 274.266 3.870 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc3c(c2)CCO3)no1 424218348 SOTCKAZJAPIOTC-UHFFFAOYSA-N 270.332 3.525 30 20 CHED CC(C)Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 424193078 JQQHMXSBJPKLBV-DLBZAZTESA-N 256.393 3.667 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1 612300589 TWQYRHVHIMTVGN-AWEZNQCLSA-N 295.745 3.637 30 20 CHED C#Cc1cccc(NCc2cccc(OCCCOC)c2)c1 130474925 SPRWUFVHBQGDDZ-UHFFFAOYSA-N 295.382 3.695 30 20 CHED CC(C)CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 41559010 IAWBPBJABLHXGJ-SNVBAGLBSA-N 291.301 3.654 30 20 CHED N#CCc1cccc(NC(=O)N2CCCC3(CCCC3)C2)c1 518915932 FTVBMWKJORVCIV-UHFFFAOYSA-N 297.402 3.941 30 20 CHED C=CCN(Cc1cc(C(=O)O)c(C)o1)CC1CCCCC1 515490484 ORFQPXPIHPTQMM-UHFFFAOYSA-N 291.391 3.855 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N(C)c2cccc(C#N)c2)C1(C)C 143574138 UCRMHOWHCNPYHE-HZPDHXFCSA-N 282.387 3.759 30 20 CHED CN(Cc1csc2ccccc12)C(=O)C1(C#N)CCCC1 194488561 KLXDTOVGDRXYKZ-UHFFFAOYSA-N 298.411 3.944 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 425119910 AJDKKPVZRKBUSU-DFEHZGFQSA-N 296.414 3.904 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(C)nn1C 194666492 RZLHARNNDPGDDC-UHFFFAOYSA-N 279.428 3.551 30 20 CHED C#CCOc1ccc(CNC/C=C/c2ccccc2)cc1 236690833 KKJLNHADVXRXKQ-RMKNXTFCSA-N 277.367 3.502 30 20 CHED Cn1cc(CNC2CC(c3ccccc3Cl)C2)cc1C#N 339587514 KQGUOSPIGPYRRS-UHFFFAOYSA-N 299.805 3.586 30 20 CHED Cc1cccn2cc(CNc3c(Cl)cccc3C#N)nc12 91628472 JHVSUCGQKBMNDU-UHFFFAOYSA-N 296.761 3.780 30 20 CHED COc1ccsc1CN(C)[C@@H](C)c1cccc(C#N)c1 425369228 ZLFISWVBQDBMAT-LBPRGKRZSA-N 286.400 3.821 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(C2CCC2)c1 337056301 POWXJQCQYDFOTL-UHFFFAOYSA-N 255.361 3.768 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccccc2F)no1 426336398 UUYSICBCASFNIJ-UHFFFAOYSA-N 260.312 3.653 30 20 CHED Cc1cc([C@@H](C)/N=C(/O)c2cncnc2C(C)C)c(C)o1 330533817 NUBFIAGOKYLNJD-LLVKDONJSA-N 287.363 3.876 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(C)s2)ccc1O 96551532 QMGJAIFBSPJXCE-VURMDHGXSA-N 274.341 3.667 30 20 CHED CCCOc1cccc(NC(=O)c2ccc(C)c(C#N)c2)c1 96617887 QASUUMLACITYFD-UHFFFAOYSA-N 294.354 3.908 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1cccs1 436287207 UCUBNYTYUOVFFQ-NFAWXSAZSA-N 265.422 3.770 30 20 CHED CCN(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCC1 334985527 FBXZSJZLZQKRAA-KRWDZBQOSA-N 297.402 3.520 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)c1nc2c(s1)CCC2 335130710 HHFXJHFITZADNG-OPGSHWCFSA-N 289.448 3.755 30 20 CHED CC[C@H]1CCCN1C(O)=Nc1cnn([C@@H](C)CC)c1C 331125139 NJNSJVYYSRNINB-AAEUAGOBSA-N 278.400 3.582 30 20 CHED COc1cccc2c1CC[C@H]2NC1CCC(C)(C#N)CC1 336221522 NTJCMWAUWNYTNV-CRPOECCBSA-N 284.403 3.745 30 20 CHED Cc1cccc(Cc2noc(-c3cccc(C#N)c3)n2)c1 230995859 BDBAVVNGDXFMDB-UHFFFAOYSA-N 275.311 3.508 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cccn1CCC(C)C 435744302 DXHMGWJGPHCAJW-WMZOPIPTSA-N 290.451 3.605 30 20 CHED CCC(C#N)(CC)c1nc(Cc2cc3ccccc3o2)no1 528203667 PTUCQMAATWHPNL-UHFFFAOYSA-N 295.342 3.988 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(COCC)cc1 439449957 HDGVEKBEPIHFDR-AWEZNQCLSA-N 276.380 3.699 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(CSCC#N)n1 341173140 NLSHWAKWPOBWJQ-QWRGUYRKSA-N 265.382 3.510 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(C)c(C)c1Cl 341037889 MBHSKDBVWNJEJK-JTQLQIEISA-N 278.783 3.579 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)c1cc(C#N)ccn1 341740853 BVBBJIXDGIUODX-GFCCVEGCSA-N 277.327 3.897 30 20 CHED C=CCc1cc(CN(C)[C@H]2CC[C@H](C)C2)cc(OC)c1O 433042325 FYDOMXVHLQABIO-BBRMVZONSA-N 289.419 3.750 30 20 CHED C=CCCCCCN(C)S(=O)(=O)CC1CCCCC1 523520918 JMWPARXVKVVKGC-UHFFFAOYSA-N 287.469 3.575 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(F)c(C)c2)ccc1O 255375158 PDEFQYGGIUKOGU-DAXSKMNVSA-N 286.302 3.744 30 20 CHED COc1cccc(C=Nc2ccc3scnc3c2)c1O 255291783 QCWAPRGWLBRUQX-UHFFFAOYSA-N 284.340 3.761 30 20 CHED N#Cc1cnccc1/C=C/c1cscc1Br 349106434 IOXGJQAGXWNTJJ-OWOJBTEDSA-N 291.173 3.948 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2ccccc2n1 431979345 CQFQDWKPMMSDOE-UHFFFAOYSA-N 254.333 3.776 30 20 CHED CCc1ccccc1NC(=O)CON=Cc1ccccc1C 255343434 GGZOLZLZVDWBFL-UHFFFAOYSA-N 296.370 3.547 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)c(Cl)c1 437639817 KEJRHBUAQYFOSP-HNNXBMFYSA-N 281.783 3.816 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccccc2CC#N)C1 601541455 GQWIIOGRQTWFOF-OAHLLOKOSA-N 284.403 3.651 30 20 CHED COC(=O)c1ccc(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)o1 255293444 YHUSRYCMOIEZHY-ZECSTPGPSA-N 296.322 3.758 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3ccc(F)cc3)cnc12 255437116 LIFOOPUPLSWUCG-HJWRWDBZSA-N 280.302 3.678 30 20 CHED CC1CCC(CC(=O)NCC(C)(C)CCC#N)CC1 345905602 LEGRIUCNTCGQDQ-UHFFFAOYSA-N 264.413 3.649 30 20 CHED CC(C)(CCC#N)CNC/C=C\c1ccccc1[N+](=O)[O-] 342271519 CVZVOTZDSRINBR-YVMONPNESA-N 287.363 3.528 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C(F)(F)F)o1 344309707 NBULWIGAFYWTNC-ZDUSSCGKSA-N 298.239 3.684 30 20 CHED CCOc1ccc(N=Cc2cc(OC)ccc2O)cc1F 255318508 JRXGWHAKLNSRFV-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CC(=NNC(=S)Nc1ccccc1)c1ccc(C)cc1 254489667 FHDLPXDKZMUOJN-UHFFFAOYSA-N 283.400 3.706 30 20 CHED CC(C)(C)c1ccc(OCCN[C@H]2CC[C@@H](C#N)C2)cc1 442764624 CUHHYKWIBCBTQT-ZBFHGGJFSA-N 286.419 3.645 30 20 CHED COc1ccc(/C=C2\C(=O)c3ccccc3C2(C)C)cc1O 255577908 UODQAGMIXYCCIA-XNTDXEJSSA-N 294.350 3.958 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)[C@@H](C)c1ccc(Cl)cc1 449517317 FERJRBOLUQYQMG-BHTHQVBYSA-N 279.811 3.765 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(-n3cccn3)c(Cl)c2)C1 442868847 OOUSCCIBXNBPAV-NEPJUHHUSA-N 286.766 3.630 30 20 CHED N#Cc1c(F)cccc1OCCCOCCc1ccccc1 535121543 PGFPKDXZTPBBPC-UHFFFAOYSA-N 299.345 3.726 30 20 CHED C[C@@H](CC#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 266911426 HLAFSHKXCQYZTH-IUCAKERBSA-N 285.174 3.515 30 20 CHED C=CCCC1(C(=O)Nc2cccc(-n3cccn3)c2)CC1 354581769 GGOXKDUTBNETAI-UHFFFAOYSA-N 281.359 3.557 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(F)cn2)no1 359024361 WOCPNABXEZSTJC-UHFFFAOYSA-N 259.284 3.507 30 20 CHED CCC1CCC(N(C)C(=O)c2cc(C#N)cs2)CC1 267665030 XPCUOQJZUSJJCO-UHFFFAOYSA-N 276.405 3.661 30 20 CHED C=CCC(C)(C)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] 449341925 XLZKOIVGVAIUFO-CYBMUJFWSA-N 276.380 3.718 30 20 CHED C=CCCCN1CCN(C2CCC(C(C)C)CC2)CC1 440330694 ZNMKTDGGMHYGMT-UHFFFAOYSA-N 278.484 3.785 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccccc1N(C)C 353415893 KSMGPNMDBGGBIA-UHFFFAOYSA-N 287.451 3.904 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCC(C)(C)C1 359014890 YYHFNZITQKZESF-LBPRGKRZSA-N 256.349 3.632 30 20 CHED CCN(CCC1CCN(CCCCC#N)CC1)CC1CC1 357089943 VCHBFRSKXOUVKX-UHFFFAOYSA-N 291.483 3.514 30 20 CHED C=CCC[C@@H](CCC)N[C@H](C(=O)OC)c1ccccc1F 614652400 HATUNWABPPKABV-CJNGLKHVSA-N 293.382 3.764 30 20 CHED C=CCC[C@H](NC(=O)[C@H](OC)[C@@H](C)CC)c1ccccc1 356519277 MIJWEFLNBKLKIA-BHYGNILZSA-N 289.419 3.871 30 20 CHED N#Cc1nc(N2CCC[C@H]3CCC[C@@H]32)ccc1C(F)(F)F 443513897 YCEFSWBWLJOILI-MFKMUULPSA-N 295.308 3.741 30 20 CHED C=C[C@@H](CC(=O)N1CCC(C(F)F)CC1)c1ccccc1 533932018 ZMOBRAVNHADSHY-ZDUSSCGKSA-N 293.357 3.850 30 20 CHED C=CCCc1noc([C@H]2CCc3cc(C)ccc3O2)n1 453234539 LGFPMLQDTUFIKK-CQSZACIVSA-N 270.332 3.563 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C1(CC(C)C)CCCC1 611251671 WSPVWEFQWXRQMO-AWEZNQCLSA-N 264.413 3.647 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 617789947 YLBYCNDIYKABQA-OAHLLOKOSA-N 296.414 3.915 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 454658873 FJYQROSQDNFRIX-SWLSCSKDSA-N 276.355 3.555 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1OCC(F)F 454961731 SCQMGKCGNPPSLF-UHFFFAOYSA-N 298.333 3.664 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(C(F)(F)F)cc1C 451053284 GVTIWIOYWUGNNE-UHFFFAOYSA-N 285.309 3.842 30 20 CHED N#Cc1csc(CN[C@H]2CSCc3ccccc32)c1 610488699 VUSXLLODUWFNAS-HNNXBMFYSA-N 286.425 3.697 30 20 CHED C[C@@H](NCCCC#N)c1ccc(OC(C)(C)C)cc1 274325261 YJJDXTKKFVVGCS-CYBMUJFWSA-N 260.381 3.818 30 20 CHED C=CCCN(C)C(=O)Cc1cc(Cl)cc(Cl)c1 626616776 ZYISWRDPKXMWRG-UHFFFAOYSA-N 272.175 3.570 30 20 CHED Cc1cnc([C@H](C)CNc2ncc(C#N)cc2Cl)s1 273291469 KLEUNBDWHNCMIO-MRVPVSSYSA-N 292.795 3.587 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 456815886 ZNWMQZOAWZRLAE-NSHDSACASA-N 285.309 3.891 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 457001755 AJRGUBCFFNQUAD-HNNXBMFYSA-N 284.403 3.651 30 20 CHED C=C(C)[C@H](CC(=O)N(Cc1cccs1)C1CC1)OCC 270014196 GQKLGECRFWLXRH-HNNXBMFYSA-N 293.432 3.610 30 20 CHED CC(C)(C)Cc1noc(C2(c3cccc(C#N)c3)CC2)n1 545033915 LMKKHVXPKAVWHT-UHFFFAOYSA-N 281.359 3.610 30 20 CHED C=CCC[C@H](NC[C@@](C)(O)c1cccs1)c1ccco1 276391736 BUAFUIXCWUQIPY-XJKSGUPXSA-N 291.416 3.846 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@H]2CCO[C@H](CC)C2)c1 272737523 MHHBPKQEKDKDDP-FUHWJXTLSA-N 299.414 3.616 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)C[C@H]1C 279557957 UECARUWXXBCIPU-CRAIPNDOSA-N 299.414 3.597 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 466646653 CTUFILMCJJDYPK-CQSZACIVSA-N 289.419 3.786 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(F)c(C)c2)no1)OCC 270003463 CATKMKUIEGMDEB-AWEZNQCLSA-N 290.338 3.708 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 467930909 TXFOEWVACRMDMS-SECBINFHSA-N 287.281 3.952 30 20 CHED C=CCN(C(=O)N[C@@H]1CCSc2ccccc21)C1CC1 271355836 DTNAIWRSQAQZHQ-CQSZACIVSA-N 288.416 3.584 30 20 CHED Cc1ccc(C(=O)CSc2cccc(C#N)c2)cc1 468627499 NOWJCVJMALVXEA-UHFFFAOYSA-N 267.353 3.842 30 20 CHED C[C@H](N(C)C(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)C 544435549 JQCQIVXQMRFFOR-JTQLQIEISA-N 278.783 3.718 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](C3CC3)C2)cc1 377884587 OXUFLQMEROPGPO-RHSMWYFYSA-N 284.403 3.599 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(C1CCC1)C1CCC1 558974709 UJQKNIQXVADTJT-WBVHZDCISA-N 263.425 3.526 30 20 CHED CC(C)c1nc(CN(CC#N)C2CCCC2)c2ccccn12 559927797 JJCNUYNTWVWCAC-UHFFFAOYSA-N 296.418 3.726 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 464753692 DEMYYORNRDINBY-HNAYVOBHSA-N 298.430 3.641 30 20 CHED N#C[C@H]1CC[C@H](NCC(F)(F)c2ccc(Cl)cc2)C1 552097688 KGZCKBXWMMODTP-GWCFXTLKSA-N 284.737 3.714 30 20 CHED C=CCCCNC(=O)[C@H](C)Sc1ccc(C)cc1 468383358 ODSYDBVKCNCRIZ-ZDUSSCGKSA-N 263.406 3.558 30 20 CHED C[C@H](O)c1cc(NCC(C)(C)CCC#N)ccc1F 285370306 BWFLWJVYQDNYAN-NSHDSACASA-N 264.344 3.621 30 20 CHED C=CCCCC[C@H](C)NCc1cnn(CC(F)(F)F)c1 553612324 XMKBTKNCOOTXAL-LBPRGKRZSA-N 289.345 3.670 30 20 CHED Cc1coc(C)c1C(=O)N(CCC#N)c1ccc(F)cc1 559570331 AQVIXDVLEWYJSJ-UHFFFAOYSA-N 286.306 3.596 30 20 CHED N#Cc1cc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)ccn1 283780430 QEASWWYLGBMFDN-HOTGVXAUSA-N 299.761 3.549 30 20 CHED C=CCC[C@H](NCc1ncnn1C(C)(C)C)c1ccccc1 282862744 UTAQYTDDNWIXEF-INIZCTEOSA-N 298.434 3.830 30 20 CHED C[C@H](C#N)CNC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 556848119 MSSQESWMLXMZKX-HYVNUMGLSA-N 299.418 3.514 30 20 CHED C=CCCCC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F 295460392 SBLGGUBWDHOGMK-SNVBAGLBSA-N 292.326 3.527 30 20 CHED CON=CC(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 809618604 KSPJOORPUZXKBO-UHFFFAOYSA-N 298.342 3.666 30 20 CHED C=CCN(CCC#N)C(=O)c1cc(CC)c(CCC)s1 553101823 BNRRGPNOTNPASV-UHFFFAOYSA-N 290.432 3.805 30 20 CHED C=C(CNCc1ccc(OC)c(OC)c1C)c1ccccc1 808383376 BTJYRQVPWXDTFM-UHFFFAOYSA-N 297.398 3.815 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2ccsc2)cc1[N+](=O)[O-] 290595155 YDHOXDPDEQRADH-CQSZACIVSA-N 299.355 3.869 30 20 CHED COc1ccccc1[C@H](CC(C)C)NC(=O)CCCC#N 292224114 TULOOOPQARVGSN-HNNXBMFYSA-N 288.391 3.592 30 20 CHED C=CCN(C[C@H](OC)c1ccc(Cl)cc1)C(C)C 801511047 NERUONNAKCHSES-HNNXBMFYSA-N 267.800 3.924 30 20 CHED C(#Cc1ccccc1)CNc1ccc(-c2cncnc2)cc1 479463818 GOBSJMBKOWWFHF-UHFFFAOYSA-N 285.350 3.607 30 20 CHED C[C@H]1CC[C@@H](C=NNc2ncnc3sccc23)C1 800808759 OZABVXWWAYIJRY-VHSXEESVSA-N 260.366 3.525 30 20 CHED Cc1ncn(-c2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)c1C 291235290 KTYYKRNQMVMECO-DOTOQJQBSA-N 294.402 3.983 30 20 CHED CC#CCCCC(=O)OC[C@@H](OC)c1ccc(Cl)cc1 801309187 JRNJPALPRNQBEA-OAHLLOKOSA-N 294.778 3.764 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1nc(Cl)c(C#N)s1)CO2 804554663 FDICLNSQRRJPGZ-VIFPVBQESA-N 291.763 3.522 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC(C)C)c1ccc(OC)cc1 647295959 ZMUHPHJKIOHJMP-QAPCUYQASA-N 291.435 3.557 30 20 CHED CCCOc1cccc(CNc2cc(C#N)cc(C)n2)c1 804356494 KKLKTMAEXPWDKL-UHFFFAOYSA-N 281.359 3.663 30 20 CHED C=CCOCCCN1C[C@@H](c2ccc(F)cc2)C[C@H]1C 470790320 RMRQCUSMFYAPED-ZBFHGGJFSA-N 277.383 3.596 30 20 CHED CCCCCCOc1ccc(C(=O)N(C)[C@@H](C)C#N)cc1 297634008 CYNGILDVSPTRRX-AWEZNQCLSA-N 288.391 3.630 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 474693844 JICKKAWOQHRRRD-FRFSOERESA-N 284.403 3.952 30 20 CHED Cc1ccc([C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 294560079 ZDKOXIFNELMQEI-KSSFIOAISA-N 282.387 3.646 30 20 CHED Cc1ccc([C@H]2CCCCCN2Cc2ccc(C#N)cn2)o1 564028818 GLEOENCBJBXWTL-QGZVFWFLSA-N 295.386 3.972 30 20 CHED Cc1cccnc1-c1noc(-c2ccc(C#N)c(Cl)c2)n1 567276000 PGTKRTLOOZZRKI-UHFFFAOYSA-N 296.717 3.632 30 20 CHED C=CCn1c(N2CC[C@@H](C)C[C@@H](C)C2)nnc1C(C)(C)C 566037993 YLTBOGTWFPZNCV-ZIAGYGMSSA-N 290.455 3.634 30 20 CHED C=CCCCC(=O)N(CC=C)c1nc2c(s1)CCCC2 481783031 SHXWMLQXSGJNBK-UHFFFAOYSA-N 290.432 3.897 30 20 CHED Clc1oc2ccccc2c1C=NNC[C@H]1CCSC1 811657792 DHMPCLZALZHKOW-SNVBAGLBSA-N 294.807 3.763 30 20 CHED CCOCCON=Cc1c[nH]c2ccc(C(C)(C)C)cc12 811649009 XRWHBWUMJHZDKA-UHFFFAOYSA-N 288.391 3.852 30 20 CHED Cc1nsc(N2CCC[C@@H](C(C)(C)C)C2)c1C#N 561339640 ZPDGBUSUMZLLEW-LLVKDONJSA-N 263.410 3.586 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@H](OCC2CC2)C1 489918158 MMKVCGGJBCRIJY-HNNXBMFYSA-N 290.794 3.607 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cnc2c(c1)CCCC2 488526708 AYGCCXAIZPZZBO-HNNXBMFYSA-N 285.391 3.533 30 20 CHED Cc1cc(CNC(C)(C)c2nc(C)c(C)s2)ccc1C#N 488106777 FMRKUNJJQDBFED-UHFFFAOYSA-N 299.443 3.965 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(C)nn1CCCCC 483486027 AKRXTBDBNLOHQC-UHFFFAOYSA-N 292.427 3.812 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(C#N)c(C)n2)C1 488089901 PSUYYSZTCMZPCW-YOEHRIQHSA-N 291.398 3.953 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC[C@@H]1CCCCO1 482911937 UEDGNAKKFHUHTA-KRWDZBQOSA-N 293.451 3.931 30 20 CHED CC(=NOCCOC(C)C)c1ccc(F)c(Cl)c1 812238902 HFRXAUTZGAZXJP-UHFFFAOYSA-N 273.735 3.645 30 20 CHED Cc1nc(N2CCCC[C@@H]2c2ccccc2)ccc1C#N 487741252 MVSBJPQJVXLREP-QGZVFWFLSA-N 277.371 3.993 30 20 CHED C1=C([C@@H]2CCCCC2=NNc2cccnn2)CCCC1 814852902 UFMUPLUEFMEKSU-AWEZNQCLSA-N 270.380 3.935 30 20 CHED N#Cc1ccc(SCCCC2CCOCC2)cc1 576190102 IYRRKSGXBSZWBY-UHFFFAOYSA-N 261.390 3.857 30 20 CHED C#Cc1ccccc1Cc1nc(C(CC)CC)no1 810290124 HHGVDMAYYOGCKX-UHFFFAOYSA-N 254.333 3.545 30 20 CHED CC#CCCNC(=O)N(CC)C[C@H](CC)c1ccccc1 483429106 PWUBXQHXCFGGQR-INIZCTEOSA-N 286.419 3.625 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccccc1-n1cncn1 814859478 WGSQGTDAZOHULL-OAHLLOKOSA-N 299.422 3.550 30 20 CHED N#Cc1cc(OCCCCCCO)ccc1C(F)(F)F 810020562 UEQLZCVYJIPJBO-UHFFFAOYSA-N 287.281 3.509 30 20 CHED CC[C@H](CC#N)NCc1ncc(-c2cccc(Cl)c2)o1 572494517 XZWTWZSSXRBXCB-CYBMUJFWSA-N 289.766 3.777 30 20 CHED CC1(C)CCC(C(=O)N2CCc3ccc(C#N)cc32)CC1 579381472 OCTVCUUPFNNBNE-UHFFFAOYSA-N 282.387 3.664 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cc2n(n1)CCC2 570662555 MKAHLEICJRUSHV-YOEHRIQHSA-N 294.402 3.525 30 20 CHED C=C(C)CN(C)[C@@H](C(=O)O)c1ccc(Cl)cc1Cl 652430528 KMBLDQCDCCFWJE-GFCCVEGCSA-N 288.174 3.627 30 20 CHED Cc1cccc2c1[C@H](OC(=O)c1sccc1C#N)CCO2 814029387 UBDLAPJHZSXFIO-CYBMUJFWSA-N 299.351 3.609 30 20 CHED CC#CCCNC(=O)N[C@H](CC(C)(C)C)c1ccccc1 482780240 ZZOMPFJGIVZHIL-MRXNPFEDSA-N 286.419 3.877 30 20 CHED CCC(=NNc1ncnc2sccc12)c1ccc(O)cc1 725818514 PYUKQTFCJWBOCT-UHFFFAOYSA-N 298.371 3.623 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2=CCCCCC2)cc1 575034289 DXZKIJLCGOKDPB-KRWDZBQOSA-N 282.387 3.820 30 20 CHED C#Cc1cccc(NC(=S)NN=C(CC)CCC=C)c1 727261491 IMNRRYALBQNBAA-UHFFFAOYSA-N 285.416 3.687 30 20 CHED Cc1ncccc1C=NNc1cccc(Cl)c1F 728780998 IESXLAZCDHFJLD-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCC[C@@H](NC(=O)NCC(C)(F)F)c1ccccc1 574900216 XVQWJEZUEXXNLL-CYBMUJFWSA-N 282.334 3.648 30 20 CHED C(/C=C\c1ccco1)=NNCCCc1ccccc1 729144889 BNWPBNOSNVMQLV-CJWGJNLSSA-N 254.333 3.501 30 20 CHED CCOCC(C)=NNc1nc(Cl)c(Cl)cc1Cl 726417349 FQSMBGWEAKGUCD-UHFFFAOYSA-N 296.585 3.866 30 20 CHED Cc1ccc(N(C)Cc2ccc(F)cc2C#N)cc1C 728569387 FMFHTJNDLDYELO-UHFFFAOYSA-N 268.335 3.951 30 20 CHED Cc1nc(-c2ccco2)ccc1C(=O)OCCCCC#N 726229229 AWRURMSKVANHKB-UHFFFAOYSA-N 284.315 3.501 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2sc(C)nc2c1 828150637 HQUYYQKPQSXTLI-UHFFFAOYSA-N 260.362 3.755 30 20 CHED C=CCN(CCc1ccco1)CC[C@@H]1CC1(Cl)Cl 822831607 NHLLXJHGTGCTNT-GFCCVEGCSA-N 288.218 3.894 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2nc(C)cs2)C1 660555389 YIIHMQXHKAPSHP-STQMWFEESA-N 293.436 3.510 30 20 CHED C=C(C)C[C@H](NC[C@H](C)CC1CCCCC1)C(=O)O 901681087 AWWZOLHFHINUAB-HIFRSBDPSA-N 267.413 3.602 30 20 CHED Cn1ccc(CNc2ccc(OC(C)(C)C)c(C#N)c2)c1 824722823 XEAJVAGXJYNMQD-UHFFFAOYSA-N 283.375 3.686 30 20 CHED N#Cc1cc(N[C@H](c2ccc(F)cc2)C2CCCC2)ncn1 583121435 UDEIPINWWWVBTM-KRWDZBQOSA-N 296.349 3.831 30 20 CHED C=C(C)C(C)(C)C(=O)OCCCCC(C)(C)C#N 821447813 LQEUVEXSQVWUST-UHFFFAOYSA-N 251.370 3.852 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)CCCCCC#N 588153390 JVHCXVBRSJZKDI-MRXNPFEDSA-N 270.376 3.573 30 20 CHED COc1ccccc1C=NOCc1cc(F)ccc1C 588547123 ZIHQDSIIBQBXPS-UHFFFAOYSA-N 273.307 3.693 30 20 CHED N#CCC1(COc2cccc(Oc3ccncc3)c2)CC1 902793588 UZCNKAKGEAVMNX-UHFFFAOYSA-N 280.327 3.947 30 20 CHED CC[C@@H](C)NN=Cc1cccc(Oc2ccccn2)c1 905462929 NSTRQRHAYMLCFN-CYBMUJFWSA-N 269.348 3.596 30 20 CHED N#CCCCCCC(=O)N[C@H](c1ccccc1)C1CC1 588274125 FWJIQPKGRLJOQP-QGZVFWFLSA-N 270.376 3.728 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1cc2ccccc2o1 837569849 KFUVGWZZKFLQJK-LBPRGKRZSA-N 269.344 3.660 30 20 CHED CC[C@@H](NCc1cc(F)cc(OC)c1)c1cccc(C#N)c1 902892371 JQTHFAXIBONMFG-GOSISDBHSA-N 298.361 3.947 30 20 CHED C=CC(C)(C)COC(=O)c1c(C(C)C)nn(C)c1Cl 835724963 UGYUTNVPURGCQP-UHFFFAOYSA-N 284.787 3.566 30 20 CHED Cc1ccc(OCCN[C@H]2CCc3ccc(C#N)cc32)cc1 583663657 PYNZZAAAWVZSLI-IBGZPJMESA-N 292.382 3.523 30 20 CHED Cc1cc(N[C@@H](C)CCCC(F)(F)F)cc(C#N)n1 580443573 YDJLVKLUMFEHNV-VIFPVBQESA-N 271.286 3.795 30 20 CHED CC(=NNCc1ccc(C)cc1)c1cnn(C(C)(C)C)c1C 835008250 HQTMONBFEQOUFL-UHFFFAOYSA-N 298.434 3.769 30 20 CHED Cc1nc(/C=C\C(=O)c2ccc(OC(C)C)cc2)[nH]c1C 901437074 BCPQHLKGZOLBFE-KTKRTIGZSA-N 284.359 3.710 30 20 CHED Cc1cccc(-n2c(C)cc(C(=O)O[C@@H](C)CC#N)c2C)c1 733708244 QCMCGWNHWPSBAL-AWEZNQCLSA-N 296.370 3.862 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ncc(Cl)cc1Cl 901767453 MSDFXHZJTIIDKX-MRVPVSSYSA-N 273.163 3.929 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)[nH]1 583556317 QNADVHCSNYYONO-UHFFFAOYSA-N 287.322 3.806 30 20 CHED C=C(Cl)CNC(=O)C[C@@H](c1ccccc1)C(C)C 736245384 RVPMMCXVULYVCS-CQSZACIVSA-N 265.784 3.685 30 20 CHED CC[C@H](NCCc1cccnc1C)c1ccc(C#N)cc1 903416230 SNRSMHIPRLMBAX-SFHVURJKSA-N 279.387 3.545 30 20 CHED C=CCN(CCc1ccccc1)Cc1cc(C(=O)O)c(C)o1 581948762 AMKURXJNFBSVJM-UHFFFAOYSA-N 299.370 3.517 30 20 CHED C=CCC1(C(=O)OCc2cc(C#N)ccn2)CCCCC1 909373013 ZSDKVQNTDDSVBP-UHFFFAOYSA-N 284.359 3.523 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H]2C[C@@H]21 588066042 HLPKKJWEQAZZDT-BMIGLBTASA-N 283.762 3.749 30 20 CHED C[C@@H](c1ccc(C(=O)OC[C@H](C)C#N)cc1)C(F)(F)F 835238425 MKPCRZYEVBRAJJ-ZJUUUORDSA-N 285.265 3.669 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(C2CCCCC2)no1 903276696 PHHYIXBRBAQSCA-STQMWFEESA-N 262.353 3.566 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(N(C)CC)cc2)c1 834904357 XGQKOQZTOAKTJA-MRXNPFEDSA-N 292.426 3.975 30 20 CHED C=CCN(C(=O)CCOc1cc(C)cc(C)c1C)C(C)C 730474709 VAMMNJXJIMWHRN-UHFFFAOYSA-N 289.419 3.804 30 20 CHED C1CCC2(CC1)CCCC2=NOC[C@H]1CCOC1 834971802 AUYJNMVLOUYQSH-ZDUSSCGKSA-N 251.370 3.530 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 581754148 CBOOAPVPEYGAHH-ZIAGYGMSSA-N 276.428 3.602 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ncc(F)cc2F)C1 835022438 KCIVQTXREPDLCG-UWVGGRQHSA-N 253.296 3.584 30 20 CHED C#CCCCOC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 739154588 ZUBGKCYSCAJZAX-GFCCVEGCSA-N 298.304 3.841 30 20 CHED C[C@H](C#N)OCCN(C)c1ccc2c(c1)oc1ccccc12 830834207 SYMSFEASQANAHH-CYBMUJFWSA-N 294.354 3.951 30 20 CHED C#C[C@@H](NC(=O)Nc1ncsc1C(C)C)c1ccccc1 831817975 GZVCQYWLXAZUFH-CYBMUJFWSA-N 299.399 3.763 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 837863444 DHFYDRUUNWQJQS-UHFFFAOYSA-N 283.711 3.504 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)CCC1CC1 839435855 QFSXBWMUCDFYAZ-UHFFFAOYSA-N 264.328 3.840 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)NCC(C)(C)CCC#N)c1 599942023 NKGGCLLPJMNDHY-JKSUJKDBSA-N 284.403 3.545 30 20 CHED Cc1ncc(-c2ccc(NC(=O)C#CC(C)(C)C)cc2)o1 837328094 WPWLXZRLMZMGQP-UHFFFAOYSA-N 282.343 3.638 30 20 CHED N#CCOc1ccc(N[C@H]2CCc3ccccc32)cc1 20126497 DIVAAIZNPVQOER-KRWDZBQOSA-N 264.328 3.688 30 20 CHED CCC[C@@H](C(=O)N(C)[C@@H](C)CC#N)c1cccc(Cl)c1 599329793 RKHRLCWOOMHPIZ-SWLSCSKDSA-N 292.810 3.984 30 20 CHED C=C(C)CCOC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 744299632 IQRAXZBWLVXQEQ-WDEREUQCSA-N 266.287 3.578 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 593520506 PLDDIQLSKDYVSQ-CABCVRRESA-N 299.418 3.862 30 20 CHED C[C@H]1CCCC(=NNc2nncc3ccccc23)C1 915914731 WZANGSQEWOFFOM-NSHDSACASA-N 254.337 3.608 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C 593493528 OYBZRGBQIHHPGP-DOTOQJQBSA-N 284.403 3.907 30 20 CHED N#CC1(CNc2cc3ccccc3c(Cl)n2)CCC1 842052986 CHVDHBBMHDZVKD-UHFFFAOYSA-N 271.751 3.994 30 20 CHED CCc1ccc2occ(C(=O)N(C3CC3)[C@H](C)C#N)c2c1 598135078 NZWGOGZWBFKFSB-LLVKDONJSA-N 282.343 3.512 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 596745303 QKKAEARSFAMRMT-PIIMJCKOSA-N 296.414 3.733 30 20 CHED O=[N+]([O-])c1ccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 916244962 IPYWMSNDDMMEFF-KJEVXHAQSA-N 285.347 3.819 30 20 CHED N#CC1(CCOC(=O)[C@@H]2COc3ccccc32)CCCCC1 840523158 WZLVZNBOOAWKJQ-OAHLLOKOSA-N 299.370 3.570 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(Br)c1 500102193 BHLWMNAJDWOPTG-NSHDSACASA-N 297.196 3.925 30 20 CHED CCc1nc(S[C@@H]2CC[C@@H](C#N)C2)c2ccccc2n1 594464961 BXJCNIVIUSKBHO-VXGBXAGGSA-N 283.400 3.977 30 20 CHED FC(F)(F)c1cnc(NN=Cc2cc[nH]c2)c(Cl)c1 745192195 AAOLVLDGRFGNJI-UHFFFAOYSA-N 288.660 3.528 30 20 CHED COc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)c(C)c1 849249948 NIFZGDGVSGRJDV-CMDGGOBGSA-N 296.370 3.511 30 20 CHED Cn1c(NN=C/C=C\c2ccc(F)cc2)nc2ccccc21 747752720 BTMNSGYPEKYEDS-PHEJMQSSSA-N 294.333 3.824 30 20 CHED CCc1oc2ccccc2c1C=NO[C@@H](C)c1nnc(C)o1 742352619 VXSGNXPXANALIG-JTQLQIEISA-N 299.330 3.798 30 20 CHED C=CCCSCCN[C@H](C)CCc1ccsc1 595057332 CIHZWWZYDMMFML-CYBMUJFWSA-N 269.479 3.968 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)CCCCCC#N)CCC2 590011704 AFIQKOHZMFTPJQ-QGZVFWFLSA-N 284.403 3.963 30 20 CHED Cc1c(C#N)c(NC(=O)CCCF)n(-c2ccccc2)c1C 598811495 WISIHUWJIACXQR-UHFFFAOYSA-N 299.349 3.654 30 20 CHED C#C[C@H](OC(=O)[C@H](C)C1CC1)c1ccc(Cl)cc1F 842352984 HZQOKEVVQSDEHQ-OTYXRUKQSA-N 280.726 3.743 30 20 CHED C=C[C@H](C)ONC(=O)CCCOc1cccc2ccccc12 846550779 RJUATVZKOXDOMM-AWEZNQCLSA-N 299.370 3.621 30 20 CHED C#CCCCNC(=O)c1ccc(C2CCCCC2)cc1 742786128 FVAVJYFEOCXIHM-UHFFFAOYSA-N 269.388 3.878 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2sccc2[C@@H]1C 929464886 SSKNHVFDTPKTEN-RYUDHWBXSA-N 263.406 3.796 30 20 CHED Cc1cccc([C@@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2O)c1 741165344 LBFMDBCNNBJCKI-FHXOWUIVSA-N 298.342 3.831 30 20 CHED CCCCCCCN1CCC(NC(=O)OC(C)(C)C)CC1 740874811 KRXFXYSDIOMDCM-UHFFFAOYSA-N 298.471 3.946 30 20 CHED CCC#C[C@@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 680380274 RXAPEFZBANVLHE-KGLIPLIRSA-N 299.393 3.772 30 20 CHED C=CCON=C(C)c1ccc(OCC(F)(F)F)cc1 754778735 NAHPTIZKGMXQQE-UHFFFAOYSA-N 273.254 3.554 30 20 CHED Clc1cc(Br)ccc1NN=Cc1cc[nH]c1 750938226 UMWZEGFBTKKYAX-UHFFFAOYSA-N 298.571 3.877 30 20 CHED COc1ccc(NN=CCCc2ccccc2)c([N+](=O)[O-])c1 755800714 AJUABDXFVFCWTJ-UHFFFAOYSA-N 299.330 3.634 30 20 CHED CC(=NNCc1ccc(C)cc1)c1ccc(C(F)F)nc1 853354246 AZCRMODMPIWZMJ-UHFFFAOYSA-N 289.329 3.841 30 20 CHED CC(C)C#CC(=O)Nc1cc(Cl)ccc1NC(C)C 855238677 ZMYIKZHWPBXGCN-UHFFFAOYSA-N 278.783 3.758 30 20 CHED N#Cc1ccc(F)c(COC(=O)C2CCC3(CC2)CC3)c1 850265773 KSKVJWYSXPGVNX-UHFFFAOYSA-N 287.334 3.711 30 20 CHED C=CCCCCCN(C)Cc1cc(OC)c(O)c(OC)c1 685418599 OBQNFUVLRVWTBW-UHFFFAOYSA-N 293.407 3.588 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc(-n2ccnc2)c1 926050552 BLZQLGJHVYDDHJ-CYBMUJFWSA-N 268.364 3.613 30 20 CHED Cc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)c(O)c1C 850489859 XWPKKTJYVGBYMU-OAHLLOKOSA-N 294.398 3.774 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@]1(C)CC1(Cl)Cl 856374723 GFDSGKURSZHADV-LBPRGKRZSA-N 278.223 3.821 30 20 CHED C=CCC1(NC(=O)/C(F)=C/C2CCCCC2)CCOCC1 855686365 GIZHMQDASHCUTK-SQFISAMPSA-N 295.398 3.662 30 20 CHED Cc1nn(C)c(Cl)c1/C=C1/CCCC(C)(C)C1=O 757533384 BYEIINVJIIDUAH-NTMALXAHSA-N 266.772 3.545 30 20 CHED CC(C)O[C@H]1CC(=NNc2ccnc(Cl)c2)C1(C)C 853394900 CLOVGLJBRVWYCP-LBPRGKRZSA-N 281.787 3.726 30 20 CHED Cc1ccc2cc([C@@H](C)NCc3ccc(C#N)cn3)oc2c1 756053090 HTQWIWSKHTXNGY-CYBMUJFWSA-N 291.354 3.859 30 20 CHED Cc1cccc([C@H](NCC2(C#N)CCC2)c2ccccn2)c1 926627458 OXOXXQSTJGBNCN-SFHVURJKSA-N 291.398 3.763 30 20 CHED C#Cc1cccnc1N[C@H]1CCC[C@H](SCC)C1 853405781 BQMBCQBEYDEPPP-KBPBESRZSA-N 260.406 3.539 30 20 CHED CO[C@H](CN[C@@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 925478501 NHQMFARSVOLRLD-SWLSCSKDSA-N 294.826 3.945 30 20 CHED CCON=C1CCOc2c1ccc(Cl)c2Cl 920371058 FNDJYTVGOOYLMT-UHFFFAOYSA-N 260.120 3.517 30 20 CHED Brc1cnn(N=C2CCC(=C3CCC3)CC2)c1 853325141 SCJYNJSEHTXVPV-UHFFFAOYSA-N 294.196 3.904 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3ccccc3F)ccc21 751526987 PZPGYJNUKNFTKZ-CLFYSBASSA-N 281.330 3.714 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(C)cc(N(C)C)cc1C 935050496 GDCFZVOUPJUYSJ-CQSZACIVSA-N 274.408 3.910 30 20 CHED CC(C)c1ccc(C=NO[C@@H]2CCCCO2)cc1[N+](=O)[O-] 755815613 ABMSQOZTVJBRMW-OAHLLOKOSA-N 292.335 3.595 30 20 CHED C=CCC[C@@H](OC(=O)c1cn2cc(C)ccc2n1)C1CC1 860621406 JJTIPISTVBBGQW-OAHLLOKOSA-N 284.359 3.544 30 20 CHED Cn1cnc2cc(CNc3ccc(C#N)c(Cl)c3)ccc21 863989624 UFGZDLLKFYVYGG-UHFFFAOYSA-N 296.761 3.710 30 20 CHED C=C[C@H](CC)CC(=O)NCCc1c(C)[nH]c2ccccc12 931618137 SAUXNAICVLBYRN-CQSZACIVSA-N 284.403 3.737 30 20 CHED N#CC1(CCCCn2cnc3c2CCCC3)CCC1 930600876 OHWARSHVMGLGLJ-UHFFFAOYSA-N 257.381 3.626 30 20 CHED C#Cc1cccc(NC(=O)c2ccc3nc(C)sc3c2)c1 761443681 LEGYZBYMDRHCDT-UHFFFAOYSA-N 292.363 3.838 30 20 CHED CC[C@](C)(C=NNc1nc2ccccc2[nH]c1=S)OC 863125173 OPPLIRPBSUWTIL-CQSZACIVSA-N 290.392 3.505 30 20 CHED N#Cc1ccc(NC2CC(F)(F)C2)cc1Br 697460870 GOOAQAYQNBGWEE-UHFFFAOYSA-N 287.107 3.530 30 20 CHED CCCCCCC[S@](=O)Cc1noc(C2CCC2)n1 864482608 CVJLMHUDXSULHT-IBGZPJMESA-N 284.425 3.556 30 20 CHED CCC(CCc1ccccc1)=NNCCc1ccccn1 863111372 YSPMAQUUILCFSN-UHFFFAOYSA-N 281.403 3.613 30 20 CHED Clc1cccc(Cl)c1NN=Cc1ccc[nH]1 763179440 HYAQPNKRDRGKBK-UHFFFAOYSA-N 254.120 3.768 30 20 CHED Cc1cccc(NN=C2CCC[C@@H]2c2ccccn2)n1 863160220 VQACZAJAHPJNLC-CYBMUJFWSA-N 266.348 3.521 30 20 CHED C#CCCc1noc(-c2ccc(SC(F)F)cc2)n1 762015791 DGTLYKIJLUJVBP-UHFFFAOYSA-N 280.299 3.617 30 20 CHED CC(=NNc1c(F)cccc1Cl)C(F)(F)F 761828029 YGFQPVHALWMNRW-UHFFFAOYSA-N 254.614 3.829 30 20 CHED C=CCc1cccc(F)c1OCc1cnc(C)s1 864047485 FTTIWIUGVPBNOC-UHFFFAOYSA-N 263.337 3.898 30 20 CHED CC(CCc1ccccc1F)=NOCC(F)(F)F 764848016 YHZHGAWAKVMOHN-UHFFFAOYSA-N 263.234 3.713 30 20 CHED CCCCCCCCCCn1cnc(C)cc1=O 762203080 YBQNTKVRQQNQFR-UHFFFAOYSA-N 250.386 3.692 30 20 CHED COC(=O)c1cccc(NN=C/C=C/c2ccc(F)cc2)c1 779826801 QNGVHMBMZWTYMX-KMMPQYOHSA-N 298.317 3.723 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)c1ccc(N(C)C)cc1 773908042 YEFSTQFIQCIVIH-KZKLBEMASA-N 298.386 3.647 30 20 CHED N#Cc1ccc(OCc2ccc(CF)cc2)c(F)c1 777540059 WEJYUJIIMMIOSF-UHFFFAOYSA-N 259.255 3.746 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)Cc1ccccc1CC#N 777033303 ODOQSFPDEJNSQY-OAHLLOKOSA-N 293.366 3.908 30 20 CHED CCCCCC[C@@H](C)NC(=O)Cc1ccccc1CC#N 777289790 GUMABZPUKIMQCB-OAHLLOKOSA-N 286.419 3.770 30 20 CHED C#CC[C@H](NCc1ncc(C(C)C)o1)c1ccccc1 775398056 DWELTEZWKNMYFP-HNNXBMFYSA-N 268.360 3.652 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1cnccc1C 771552037 ZQRPIMFZSXNLDY-UHFFFAOYSA-N 294.280 3.640 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCO[C@@H](C)C1 770848010 ZEMCJLFKFIDJMO-LSDHHAIUSA-N 269.429 3.668 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(F)cccc1-n1cccn1 888838808 DAGKEXFYMBPQOT-UHFFFAOYSA-N 287.338 3.552 30 20 CHED CC(C)CC1(C(=O)OCc2cccc(C#N)c2F)CCC1 774968896 IIVABZSUTWZPRO-UHFFFAOYSA-N 289.350 3.957 30 20 CHED C[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 777671166 QZIXTZGGWDYBKZ-SNVBAGLBSA-N 278.783 3.624 30 20 CHED C=CCN(C(=O)/C=C/c1ccc(Cl)cc1)C1CC1 771827408 HVUSZSCUBRHLMJ-BJMVGYQFSA-N 261.752 3.530 30 20 CHED COc1ccc2cc(C(=O)O[C@H](C)C(C)(C)C#N)ccc2c1 1122636937 KNKXLOFXMIMHQC-GFCCVEGCSA-N 297.354 3.943 30 20 CHED C[C@@H]1CCCN(c2c(Br)cccc2C#N)CC1 1458139207 HHRBKDVQLVEMPC-LLVKDONJSA-N 293.208 3.947 30 20 CHED CC#CCOC(=O)CCC[C@@H](C)c1cccc(OC)c1 789045651 DJKMCQFZYXWVPJ-CQSZACIVSA-N 274.360 3.536 30 20 CHED CC(C)c1cccc(C(=O)OCCCC(C)(C)C#N)n1 784152953 GKYMXUTXLSIGLG-UHFFFAOYSA-N 274.364 3.692 30 20 CHED C(=NNc1nncc2ccccc12)c1ccc2cnccc2c1 782114167 JCUANFHXUJCHFZ-UHFFFAOYSA-N 299.337 3.624 30 20 CHED C=CCN(C(=O)NCc1ccc(SCC)cc1)C1CC1 883828823 AWANHXPYPJCOFZ-UHFFFAOYSA-N 290.432 3.659 30 20 CHED O=C1c2ccccc2CN1N=Cc1ccc2ccccc2c1 781597392 RBDXDLQTSCTSKJ-UHFFFAOYSA-N 286.334 3.830 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 884537405 ZMUMEJRPYAFFLN-DTWKUNHWSA-N 299.252 3.718 30 20 CHED Cc1ccc(NN=CCCCc2ccc(C)c(C)c2)nn1 783842501 SZKLAUNGFIQXDA-UHFFFAOYSA-N 282.391 3.822 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(Cl)ncc1C 1120248007 KNVXCVMAIFRYQI-UHFFFAOYSA-N 280.799 3.862 30 20 CHED CC(=NNc1ncncc1Cl)c1cc(C)c(F)c(C)c1 780283277 RTBGBWCCQNYYQW-UHFFFAOYSA-N 292.745 3.722 30 20 CHED Cc1cc(C=NNc2cc(F)cc(F)c2)cc(Cl)n1 788715422 YWMTVZHOOCHLTG-UHFFFAOYSA-N 281.693 3.768 30 20 CHED Cc1cc(COC(=O)c2ccc(F)c(F)c2)ccc1C#N 782127474 FXEHSZFKRZMVJJ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C[C@H](OC(=O)c1ccc2ncoc2c1)c1cccc(C#N)c1 783401605 NDSOCPXSJTXABM-NSHDSACASA-N 292.294 3.617 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)C12CCC(CC1)C2 784103626 YYDWYZNHZTXGIJ-UHFFFAOYSA-N 289.762 3.835 30 20 CHED N#Cc1ccc(COC(=O)C2CCCCC2)c(Cl)c1 784185279 GNIBJWHEQMBDOQ-UHFFFAOYSA-N 277.751 3.835 30 20 CHED CSc1ccc(C(=O)/C=C/c2cn(C)nc2C2CC2)cc1 899343102 OAAXNRHUBVEDQP-JXMROGBWSA-N 298.411 3.916 30 20 CHED C#CCC1(C(=O)N2CC[C@@H](CC(C)C)C2)CCCCC1 788228611 KNIPEXQRSNYZSC-INIZCTEOSA-N 275.436 3.855 30 20 CHED C=CCCN[C@H](C)c1cc(Br)ccc1F 168573899 BUPPQAWSFJLCRQ-SECBINFHSA-N 272.161 3.815 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(F)c(C(F)(F)F)c2)o1 797140712 DXKNJXDUZMECSV-UHFFFAOYSA-N 299.179 3.528 30 20 CHED Cn1ccnc1NN=Cc1ccccc1-c1ccccc1 790299340 AEMOKAJDYPNLDK-UHFFFAOYSA-N 276.343 3.533 30 20 CHED N#CCc1ccc(NCC2Cc3ccccc3C2)cc1 547729320 OGRWGSNKAVXFSR-UHFFFAOYSA-N 262.356 3.580 30 20 CHED Clc1ccc(NN=Cc2ccsc2Cl)cn1 790167629 IPXNSUHGHIMEDC-UHFFFAOYSA-N 272.160 3.896 30 20 CHED COc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1F 689981002 KAHJGVOHDXKOSK-NSHDSACASA-N 270.307 3.879 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)C1CCC1 797403873 BQPQJYZQJMHWIR-UHFFFAOYSA-N 266.776 3.841 30 20 CHED CCCCCCCCCN(C)C(=O)NCC1(C#N)CC1 797580986 KQMSNKSPGMRFDD-UHFFFAOYSA-N 279.428 3.682 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CC[C@H](C)CC2)c1 705706866 TVEIIFLNAFCZAE-YEORSEQZSA-N 271.364 3.567 30 20 CHED C=CCNN=C(C)c1ccc(N2CCCCCC2)cc1 795003585 LOASMDZWCSFIPC-UHFFFAOYSA-N 271.408 3.567 30 20 CHED CCCCCCCCCN1CCC[C@@H]1c1nncn1C 192141721 XMPOCLKEYCKKKK-OAHLLOKOSA-N 278.444 3.703 30 20 CHED C=CCNC(=S)Nc1ccc(C(C)(C)CC)cc1 790618374 QWWKKRBOIVYSPE-UHFFFAOYSA-N 262.422 3.847 30 20 CHED Cc1cc(C(=O)/C=C\c2c(F)ccc(O)c2F)ccc1O 794934240 HPCYHUXFPYNDGH-UTCJRWHESA-N 290.265 3.581 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C[C@H]1C=CCCC1 799444860 YYCFHDZJZIEANF-ZDUSSCGKSA-N 269.344 3.772 30 20 CHED Fc1cncnc1NN=C1CCCC[C@@H]1c1ccccc1 793226366 RLISJAOZOBITMD-CYBMUJFWSA-N 284.338 3.741 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc3c2OCCO3)oc1C 799897514 PWKSKSGWALXTTP-VOTSOKGWSA-N 284.311 3.564 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1c(Cl)cccc1Cl 798211863 NVMJGQFFYBNTHP-UHFFFAOYSA-N 296.109 3.986 30 20 CHED CCc1ccccc1NN=C1CCC[C@@H]1CCOC 799874814 AZARNZGAFXGQOE-CQSZACIVSA-N 260.381 3.854 30 20 CHED N#Cc1cc2ccccc2nc1NCc1cccs1 70218035 GKQDVIKXZZGTIB-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=C[C@H](C)OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 781578652 IKPHXOPKAILNJR-NSHDSACASA-N 291.347 3.765 30 20 CHED CCCCN(CC)c1nccc(Oc2cccc(C#N)c2)n1 1306913562 DQZFYEUEJUZVQE-UHFFFAOYSA-N 296.374 3.767 30 20 CHED CC(C)(C)c1ccc(NN=Cc2coc3ccccc23)nn1 1319360743 YYWPTCQBPVCKSK-UHFFFAOYSA-N 294.358 3.966 30 20 CHED C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cn1 1318281017 UNMLBVOPFDCAJD-HFTRVMKXSA-N 298.430 3.501 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc3c(c2)CCC3)c1 1325575178 UNLRKIQXBOQKGX-SOFGYWHQSA-N 263.340 3.775 30 20 CHED Cc1ccc(CCC(=O)OCc2ccc(C#N)s2)s1 1326886373 ODJYTBPTLKRCHA-UHFFFAOYSA-N 291.397 3.666 30 20 CHED C[C@@H](c1nnc(COc2ccc(C#N)cc2)o1)C(C)(C)C 1323874858 ZEYCGAIYVFHNAI-NSHDSACASA-N 285.347 3.670 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2ccccc2)cc1OC 1320300138 YPEFLDXZFUSORH-SFHVURJKSA-N 297.398 3.653 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1OC)c1ccc(F)cc1 1323728895 MVXQSQUJGHEFIB-KRWDZBQOSA-N 298.361 3.947 30 20 CHED C#CCCCCCC(=O)Nc1cc(C)cnc1OC(C)C 1325276920 DQRSAHKIELRHBG-UHFFFAOYSA-N 288.391 3.699 30 20 CHED CCNc1ccccc1CNc1cccc(OCC#N)c1 1180740070 LVQXMAMXEFDYQN-UHFFFAOYSA-N 281.359 3.633 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1nc(C)sc1C 1324333554 FFUNMJVJTSZKAU-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CC[C@](C)(CC)C1 1339040875 SVDDZVWZOXMAMR-DOMZBBRYSA-N 294.468 3.515 30 20 CHED C#CC[C@@H](NC(=O)N1CCC(C2CC2)CC1)c1ccccc1 1262366290 ZXFDDQQEPSICTM-GOSISDBHSA-N 296.414 3.583 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NN[C@H](C)c1ccncc1 1261439676 SFSVFMIOMIOGRV-QWHCGFSZSA-N 295.386 3.658 30 20 CHED C/C=C(/C=C\c1nnc(COc2ccc(C#N)cc2)o1)CC 1261426372 MIPUYHIBNYWLCB-GBNOFXTISA-N 295.342 3.890 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1c(C)noc1C1CC1 1341780436 HYAJSARGKYKRKG-ZDUSSCGKSA-N 289.379 3.823 30 20 CHED C=C(Cl)Cn1c(N(C)C[C@@H](C)CC)nnc1C(C)(C)C 1507875178 OSAHNVASQUWNGZ-NSHDSACASA-N 298.862 3.810 30 20 CHED C=C1CCN(C(=O)N[C@@H](CC)c2ccccc2OC)CC1 1355303526 ZWNYTHNWBZEEJC-HNNXBMFYSA-N 288.391 3.508 30 20 CHED COc1cc(NC(=O)C=C2CCCCC2)c(F)cc1C#N 1353527683 MQCYOMBBPSEJJJ-UHFFFAOYSA-N 288.322 3.535 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1ccc(C#N)s1 1516595679 LOFMASZQPSFJKB-LBPRGKRZSA-N 278.421 3.956 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cnn(CC(C)C)c1 1517546023 DACHXSCPSMQJBA-OAHLLOKOSA-N 290.411 3.502 30 20 CHED Cc1nc(C)c([C@H](C)Nc2ccc(OCC#N)cc2)s1 111359942 KIWRRANZFHGVBI-NSHDSACASA-N 287.388 3.835 30 20 CHED C[C@@H](CC(C)(C)C)Nc1nc(C#N)c(Cl)s1 1458418197 DMJHVBXHSNXKQL-ZETCQYMHSA-N 257.790 3.905 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CCC[C@H](C)C1 1524214569 ACNSSVUUBWSZRM-STQMWFEESA-N 294.468 3.515 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ccc(C(=O)O)o2)cc1C 1607614281 UTWRZXRLEGVERC-GQCTYLIASA-N 284.311 3.799 30 20 CHED CCC(=O)c1ccccc1NC(=O)c1ccc(CC#N)cc1 1461999597 TUHOTEZCEAZBQN-UHFFFAOYSA-N 292.338 3.598 30 20 CHED C=CCOc1cccc(N[C@H](C(=O)O)c2ccsc2)c1 1602921834 VIYATAXXWHEIEE-AWEZNQCLSA-N 289.356 3.551 30 20 CHED O=C(O)c1ccc(Cl)c(/C=C\C(=O)c2ccccc2)c1 1602357751 APLOABNFUNMKSV-CLFYSBASSA-N 286.714 3.934 30 20 CHED C[C@@H](CCNC(=O)Nc1cccc(C#N)n1)CC(C)(C)C 1476792156 CYPIQHULDVCSFU-LBPRGKRZSA-N 288.395 3.537 30 20 CHED Cc1cc(NCc2ccc(Cl)s2)ncc1C#N 1611766138 BOKHIANOUCAHJJ-UHFFFAOYSA-N 263.753 3.589 30 20 CHED COc1ccc(C#N)cc1COc1cccc(C)c1F 227296614 MVYCIQJLCQKJLM-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N(CCC#N)C(C)C 1542478318 VKSDECUKRPBFNR-QGZVFWFLSA-N 286.419 3.714 30 20 CHED C[C@@H](Sc1cccnc1C#N)c1ccccc1F 1473031280 QIKCLJIZSGHPRQ-SNVBAGLBSA-N 258.321 3.946 30 20 CHED Cc1ccccc1-c1ccccc1CNc1n[nH]cc1C#N 1620930288 SVZZVIGLNGHDQR-UHFFFAOYSA-N 288.354 3.869 30 20 CHED CC(C)(CCCc1ccccc1)CNc1cncc(C#N)n1 1559108432 LXNYDMCYARMDSW-UHFFFAOYSA-N 294.402 3.809 30 20 CHED Cc1cc(C#N)cc(NCc2ccc3c(c2)C[C@@H](C)O3)c1 1560504361 RJZCKVBNPNOYDT-CYBMUJFWSA-N 278.355 3.802 30 20 CHED N#Cc1ccc(NCC2(c3c(F)cccc3F)CCC2)nc1 1640033450 YYBDLEJCFJRLOH-UHFFFAOYSA-N 299.324 3.765 30 20 CHED CCOc1ccc(Br)cc1N[C@@H](C#N)CC 122232460 YPNGEUPUPKQMCF-SNVBAGLBSA-N 283.169 3.562 30 20 CHED Cc1nc(N[C@H]2CCC(C)(C)C[C@H]2C)ccc1C#N 1655220018 UPCFHIBUTUGTNL-RISCZKNCSA-N 257.381 3.888 30 20 CHED Cc1ccc(C2=CCN(c3ncc(C#N)cc3F)CC2)cc1 1650703168 LLDPAKQMZYZTFX-UHFFFAOYSA-N 293.345 3.695 30 20 CHED CCCC[C@H](COC)Nc1nc(C(C)(C)C)ccc1C#N 1650769660 QFEYZQFZXWXHEA-CQSZACIVSA-N 289.423 3.868 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@H]2CC3CCC2CC3)CC1 1776158473 RTMYOTVNXZZPPE-UYSNPLJNSA-N 291.435 3.556 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1nc(C)cs1 1776784366 BPNBHPJSNDDJFX-ZDUSSCGKSA-N 298.452 3.745 30 20 CHED CCC(=NOC[C@@H](C)CC)c1cc(C(=O)O)ccc1F 1776077969 QPVNPNRBYJEVHA-JTQLQIEISA-N 281.327 3.701 30 20 CHED Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(C#N)c2)c1 5474511 CINPNZPHKODEHS-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CCn1c(S[C@H](C)C#N)nnc1-c1cccc(Cl)c1 5533340 MWIVFFORDAVHEP-SECBINFHSA-N 292.795 3.623 30 20 CHED COc1ccc(CSCCCCC#N)cc1F 161062872 QACGRPAOQJFPMI-UHFFFAOYSA-N 253.342 3.761 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 161104825 GNBGRNNITVNHAI-QWHCGFSZSA-N 283.293 3.501 30 20 CHED CC[C@@H](C#N)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F 162772974 PZPFAAJOJSMCSV-QWRGUYRKSA-N 298.308 3.617 30 20 CHED CCC(C)(C)N(C)Cc1ccc(C#N)cc1Cl 162910783 SQIMSOTWLLAUOR-UHFFFAOYSA-N 250.773 3.832 30 20 CHED CCN(CC#N)C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 160093378 NTUYALWHCSXQRK-CVEARBPZSA-N 294.439 3.514 30 20 CHED C=CCC[C@H](NC(=O)NC[C@H](C)SC)c1ccccc1 160828280 ONUROUXLKLYGTK-ZFWWWQNUSA-N 292.448 3.745 30 20 CHED C=C(Cl)CN[C@H](C)c1cccc(OC(F)F)c1 163367316 IXHOUMTWSNPCAU-SECBINFHSA-N 261.699 3.691 30 20 CHED Cc1cc(F)cc(NC(=O)N(CCC#N)CCC(C)C)c1 152752583 QKYQLRHDKMUDCN-UHFFFAOYSA-N 291.370 3.928 30 20 CHED C=C(C)CN(CC)Cc1cc(Cl)c2c(c1)OCCO2 248224973 IWPRTMHXKWCZPP-UHFFFAOYSA-N 281.783 3.509 30 20 CHED COCc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1 36918181 DVYNHHVBKPSGHP-ZDUSSCGKSA-N 266.344 3.878 30 20 CHED Cc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 37230859 ZMXAOCAKVYAGNP-AWEZNQCLSA-N 250.345 3.718 30 20 CHED CCN(Cc1ccncc1)Cc1ccc(C#N)cc1Cl 162881883 IJGOXTFBBOWQDI-UHFFFAOYSA-N 285.778 3.629 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC(C)(C)C 279948048 HQXONTGJYYUTJK-UHFFFAOYSA-N 260.381 3.573 30 20 CHED C=C(C)CN(CC)Cc1ncc(-c2ccccc2)o1 48617427 DDOUJYZCHUTDKD-UHFFFAOYSA-N 256.349 3.740 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccsc1 294177988 DIZISXWXOISECF-OAHLLOKOSA-N 256.374 3.861 30 20 CHED N#Cc1ccc(NC(=O)CCC2CC2)cc1C(F)(F)F 400773200 DFILWOXZSMRZIY-UHFFFAOYSA-N 282.265 3.706 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)cc1 503587785 YPROKFCCJITFSP-CYBMUJFWSA-N 268.335 3.591 30 20 CHED CC[C@@H](CNc1ccc(C#N)cc1)CC(F)(F)F 402630185 MJXGXMXRDGELCR-SNVBAGLBSA-N 256.271 3.949 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)C1CCCCC1 404110758 JNVHHYDYJSFORD-GFCCVEGCSA-N 260.356 3.756 30 20 CHED Cc1cc(CNc2cccc(OCCCC#N)c2)sn1 404436663 RYWAXUDTVYWAIE-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc3[nH]ccc23)C1 617785798 OHNNLCZGOTYXMI-CYBMUJFWSA-N 268.360 3.596 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCC(OCC)OCC 692239075 IXCWYLSAMOLUCV-HUUCEWRRSA-N 269.429 3.500 30 20 CHED C=CCC1(NCc2cc(C#N)ccc2OC)CCCC1 595780296 QEJAZDKGFLIAAZ-UHFFFAOYSA-N 270.376 3.545 30 20 CHED C=CCCCCCCNC(=O)c1ccc(C)c(O)c1 388874702 GGEPUFYRNRZMJX-UHFFFAOYSA-N 261.365 3.567 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnc(Cl)c2ccccc12 393815823 ABJPZUMVWVCIMZ-NSHDSACASA-N 288.778 3.973 30 20 CHED Cc1ccc(OCc2ccc(CC#N)cc2)c(C)c1 399146676 XDPQQCPSZGBZCC-UHFFFAOYSA-N 251.329 3.949 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1nc(Cl)ccc1Cl 785854985 JIARBNCVHCSZRC-SECBINFHSA-N 285.174 3.569 30 20 CHED C[C@@H](SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 7211466 COPVJKLGQAGNGT-CYBMUJFWSA-N 296.395 3.991 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 8528016 WGOFPAORSISOOD-LBPRGKRZSA-N 291.310 3.748 30 20 CHED CCCCCCCCN(C)C1(C(=O)O)CCCC1 311018019 BQKULJRPPRZYAS-UHFFFAOYSA-N 255.402 3.676 30 20 CHED C[C@H](NCCCOc1ccccc1)c1cccc(C#N)c1 52092099 ONNOEDIMYLJXJL-HNNXBMFYSA-N 280.371 3.678 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(CC)CC 119961567 KQLPSUJXIPJDGH-UHFFFAOYSA-N 263.356 3.777 30 20 CHED CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCC1 174096130 ICPYHQUVKIACTF-UHFFFAOYSA-N 297.280 3.593 30 20 CHED C=CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 134445956 NFIDWRMJVOCZNO-SECBINFHSA-N 276.327 3.527 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CC1CC1 112752180 PRFYJINZWZKAEM-CQSZACIVSA-N 299.418 3.667 30 20 CHED CC(C)c1nn(C)c(Cl)c1CNc1cccc(C#N)c1 179550532 MTUSPTNJFVISRR-UHFFFAOYSA-N 288.782 3.681 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ccccc1Cl 175074150 KVASNTPRXNGEKV-LLVKDONJSA-N 251.757 3.874 30 20 CHED CC[C@H]1CCCN1c1cc(Br)c(C#N)cc1F 310243616 UHTHLCLYANBBGJ-JTQLQIEISA-N 297.171 3.839 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1ccccc1F 103010801 SCNUNIOKLRYHTR-MFOYZWKCSA-N 263.699 3.804 30 20 CHED O=C(/C=C/c1ccsc1)c1cccc(N2CCOC2=O)c1 60097766 IOVUVOXJKCDTDE-SNAWJCMRSA-N 299.351 3.601 30 20 CHED CC(=O)c1ccc(C#N)c(NC2CCCCCC2)c1 302064808 VNMOIWCNKQJFHS-UHFFFAOYSA-N 256.349 3.896 30 20 CHED Cc1ccc2oc(C(=O)Nc3cc(C#N)ccc3C)cc2n1 171555132 JZBJSBARFHDTDY-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cnccc1C 348238251 OGVGVJZJYHCHSR-UHFFFAOYSA-N 266.388 3.968 30 20 CHED C=CCCC(=O)Nc1cccc(Oc2ccccn2)c1 173597014 RKKMZUOJKMQZJR-UHFFFAOYSA-N 268.316 3.779 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 301325148 RNXUAWGLDANRFD-UHFFFAOYSA-N 294.398 3.908 30 20 CHED C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(C#N)c(Cl)c1 301918149 WJJHROVZIRYBTM-HZMBPMFUSA-N 290.750 3.729 30 20 CHED C=C(C)Cn1c([C@@H](C)SC)nnc1N(CC)C(C)C 1342114042 IOAWFSKNGXYVPF-GFCCVEGCSA-N 282.457 3.513 30 20 CHED C=CCCCC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 175353315 MXJLKAUBDFWZID-INIZCTEOSA-N 289.375 3.539 30 20 CHED N#CCC[C@H](C#N)COc1cccc(Cl)c1Cl 119251575 GGIMMZFRDAZGLV-SECBINFHSA-N 269.131 3.816 30 20 CHED CCCO[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 110587432 JFMCFPZUJPHIOH-HNNXBMFYSA-N 292.810 3.997 30 20 CHED CC1(C)CCC[C@@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 434013670 DEFJWHMWAZDNTA-KGLIPLIRSA-N 276.424 3.744 30 20 CHED C[C@H](Cc1ccccc1F)Nc1ccc(C#N)cc1[N+](=O)[O-] 301118036 ZOTRVTGYKJCTQS-LLVKDONJSA-N 299.305 3.649 30 20 CHED CN(Cc1ccco1)c1ccc(C#N)cc1C(F)(F)F 301165123 HNXUZHVUQWLARH-UHFFFAOYSA-N 280.249 3.806 30 20 CHED CCCCCCC(=O)[C@@H](C#N)C(=O)Nc1cccc(C)c1 127662828 MWKCKRFVUUBEEZ-OAHLLOKOSA-N 286.375 3.613 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCc1cccs1 121786203 VPSZDPVRUJYFRP-GZTJUZNOSA-N 282.368 3.664 30 20 CHED CCn1cc(C(=O)OCC2(C#N)CCC2)c2ccccc21 183909940 YOFOQZXLGHZMIA-UHFFFAOYSA-N 282.343 3.512 30 20 CHED CC#CCn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 78971618 UDKLNZIKPKNXQY-UHFFFAOYSA-N 280.158 3.584 30 20 CHED C=CCOC(=O)c1ccc(C2SCCS2)cc1 121908080 UZCGHVUPHHVPPN-UHFFFAOYSA-N 266.387 3.508 30 20 CHED CCCCC[C@@H](NC(=O)NC[C@@H](C)C#N)c1ccccc1 182640418 AYIXWRBYALWLHT-GOEBONIOSA-N 287.407 3.767 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1F 77379792 JRHWOKNIWIGJGI-UHFFFAOYSA-N 299.349 3.815 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ncc(Br)s1 129639847 WYECJMIHUWDWLJ-JGVFFNPUSA-N 275.215 3.521 30 20 CHED CCCCCCCCCNC(=O)N[C@@H]1CCCOCC1 181624783 YXEFDNITDULBJE-OAHLLOKOSA-N 284.444 3.605 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1cccc2ccccc12 181665685 BSYMEDMXZXJRLA-ZBFHGGJFSA-N 269.388 3.818 30 20 CHED COc1cc(C#N)cc(OCc2cnc3ccccc3c2)c1 317331629 WAVCSFWSCMUCDU-UHFFFAOYSA-N 290.322 3.694 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)CSc1ccccc1 410828244 NEPSGSWFHQKCOA-UONOGXRCSA-N 290.432 3.565 30 20 CHED C=CCC[C@H](NCc1ccc(C(C)(C)O)cc1)C1CC1 186617076 NWQQCBWVZNCICL-KRWDZBQOSA-N 273.420 3.748 30 20 CHED N#Cc1cc(Cl)ccc1Cn1cnc2ccccc21 185231522 HTDIDWTYNSGLFX-UHFFFAOYSA-N 267.719 3.610 30 20 CHED CSc1cc(NC(=O)CCCC#N)ccc1Cl 413950722 HNWDVHAIPGKOLZ-UHFFFAOYSA-N 268.769 3.694 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CC1CCC(C)(C)CC1 120850451 YYICCUUJPYOMOY-MRXNPFEDSA-N 264.413 3.647 30 20 CHED Cc1ccc(-c2ccc(C(=O)OC(C)(C)C#N)s2)o1 181747642 AWCMUJOVVQIFHF-UHFFFAOYSA-N 275.329 3.776 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H](C(C)(C)C)CC1 185587523 NGAOFRNUIWGLJS-OAHLLOKOSA-N 263.425 3.855 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(C)oc2C)C(C)C)c1 77293823 BECMDQBKGAEFGR-UHFFFAOYSA-N 281.355 3.933 30 20 CHED CC[C@H](CSC)NCc1cccc(OCCCC#N)c1 182127389 PXBURIQIMPWGJP-OAHLLOKOSA-N 292.448 3.600 30 20 CHED C=CCNC(=O)c1ccc2cc(Br)ccc2c1 125144421 RLGFMCYYAGWVLD-UHFFFAOYSA-N 290.160 3.518 30 20 CHED Cc1ccc(-c2nc(/C=C/C(=O)c3ccncc3)co2)cc1 182241366 QVIKSKAHHBWRMH-VOTSOKGWSA-N 290.322 3.941 30 20 CHED CC[C@@H](CC#N)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 183789054 YJUJAFLKSYHUGX-WFASDCNBSA-N 292.810 3.717 30 20 CHED C[C@@H](OCCCN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 185761660 HSKWNKPVFVYGNR-RYRKJORJSA-N 286.419 3.826 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 416095894 HEUXKKJGUMNEPW-DOTOQJQBSA-N 296.414 3.878 30 20 CHED N#Cc1ccccc1SCCCO[C@H]1CCCCO1 413000482 PCYNAGOSAICQNF-HNNXBMFYSA-N 277.389 3.584 30 20 CHED CS[C@H]1CC[C@@H](Nc2c(Cl)cccc2C#N)C1 78477481 MKEARTJXUZOMBM-MNOVXSKESA-N 266.797 3.908 30 20 CHED C#CCCOc1ccc(CN(C)[C@H](C)c2ccncc2)cc1 183705453 ZYGLFPKKSXWENA-MRXNPFEDSA-N 294.398 3.677 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(C)c(C)o1 132061181 NOXKBACKAYFHFK-UHFFFAOYSA-N 276.380 3.689 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(SC)c1 413945650 GEZGGSRVWJPXLJ-ZDUSSCGKSA-N 282.796 3.940 30 20 CHED CCn1cc(CCS[C@H](C)c2cccc(C#N)c2)cn1 419460768 GIHBJEKISAPTHE-CYBMUJFWSA-N 285.416 3.812 30 20 CHED N#Cc1ccc(OCCSCC2CC(F)(F)C2)cc1 419349397 UJEMITPKTLVQTG-UHFFFAOYSA-N 283.343 3.716 30 20 CHED CN(CCCC(C)(C)C#N)Cc1ccc(Br)o1 174819792 VLDDVYHKHJVSGM-UHFFFAOYSA-N 299.212 3.804 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1C 509433857 YYBTWEUVWUBSQM-GUYCJALGSA-N 284.403 3.908 30 20 CHED N#Cc1ccccc1CN1CCC[C@H]1c1ccc(O)cc1 138913437 QQTUMPXZGSZHML-SFHVURJKSA-N 278.355 3.601 30 20 CHED C[C@@H](N[C@H]1CCc2ccccc2OC1)c1ccc(C#N)cc1 509516311 NWIJFWXXOQBNDX-KDOFPFPSSA-N 292.382 3.603 30 20 CHED C=CCSCCNC(=O)N1CCC[C@H]1CCC(C)C 509172518 YLHAIBKKYYDWPZ-AWEZNQCLSA-N 284.469 3.516 30 20 CHED C[C@H]1CC[C@H](Nc2ccc(C#N)c(Br)c2)C1 228197068 MNAAZZPODHXTQD-ONGXEEELSA-N 279.181 3.921 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Sc1ccccc1 410129377 YTUHMGJVPGGDDP-QWHCGFSZSA-N 263.406 3.638 30 20 CHED Cc1ccccc1-c1noc([C@@H](C)SCCC#N)n1 413016767 XDEFKXIVBVIHCE-LLVKDONJSA-N 273.361 3.753 30 20 CHED CCOC1CC(CC/N=C(/O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)C1 329930385 OKBBMMYMAXFBCC-NEIABLLTSA-N 296.455 3.520 30 20 CHED Cn1cc(CN2CCCc3cc(Cl)ccc32)cc1C#N 503576746 HHPXABDKXRYPLV-UHFFFAOYSA-N 285.778 3.503 30 20 CHED C=CC[C@H](CC)NC(=O)CCCc1sccc1C 410140547 RJOGWRJOVNAXFO-ZDUSSCGKSA-N 265.422 3.850 30 20 CHED C[C@H]1C[C@H](C)N(c2ccc(C#N)c(Br)c2)C1 228196646 UBMYKQDORBVEEA-UWVGGRQHSA-N 279.181 3.555 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccncc1CC 222054159 RMLXDLROYADMKO-KTKRTIGZSA-N 281.355 3.939 30 20 CHED Cc1cc(O)nc2cc(/C(O)=N/[C@H]3C[C@H]4CC[C@H]3C4)ccc12 329650090 KJBTZQPTHBLQPC-HUBLWGQQSA-N 296.370 3.742 30 20 CHED C[C@H]1CCN(C(=O)c2cccc(CC#N)c2)c2ccccc21 49733234 GQFSJPKPLOIWKM-AWEZNQCLSA-N 290.366 3.907 30 20 CHED COCc1ccc([C@@H]2CCCN2Cc2ccccc2C#N)o1 130935533 KPODEQXGAHWPDJ-KRWDZBQOSA-N 296.370 3.635 30 20 CHED Cc1ncc(N=C(O)c2csc(C)c2C)c(C2CC2)n1 329661097 IMGFBZNPCRQIEI-UHFFFAOYSA-N 287.388 3.977 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCOc2c(F)cccc21 191125673 CLDVIUYLSWNEBX-AWEZNQCLSA-N 276.355 3.569 30 20 CHED Cc1ccc2c(CC(=O)Nc3cccc(C#N)c3)c[nH]c2c1 82338537 VJSFEOYGMBWZAZ-UHFFFAOYSA-N 289.338 3.529 30 20 CHED Cc1ncoc1C(O)=Nc1ccccc1N1C[C@H]2CC[C@H]1C2 329867729 WLOBYBXZTVPEPG-STQMWFEESA-N 297.358 3.608 30 20 CHED COC(=O)c1ccc(Cl)c(CSCCCC#N)c1 191007498 FJYQZMUXKNICLV-UHFFFAOYSA-N 283.780 3.664 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1c(Cl)cccc1OC 424804766 OTDNCQMIYNBQRO-UHFFFAOYSA-N 281.783 3.567 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1NCc1ccc(OCC#N)cc1 193131495 GIMLQLCHZDTYAT-CJNGLKHVSA-N 272.392 3.503 30 20 CHED CC#CCCCc1nc(C2(c3ccc(F)cc3)CC2)no1 424364545 RETFLWLCBIYGJR-UHFFFAOYSA-N 284.334 3.635 30 20 CHED N#Cc1c(N2Cc3ccc(Cl)cc3C2)ncc2c1CCC2 425267927 MYTPEPCKDNXBNN-UHFFFAOYSA-N 295.773 3.616 30 20 CHED N#CCCN(C/C=C/c1ccccc1)Cc1cccnc1 85826779 KHDGHVFEJUWJGU-BJMVGYQFSA-N 277.371 3.511 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1ccc(F)c(F)c1 336455567 CDHMFSIWAFADMT-UHFFFAOYSA-N 292.310 3.565 30 20 CHED COc1cccc(Cl)c1CN[C@@H]1CCC[C@H](C#N)C1 193351460 RKHDCPBVMKOHPC-NWDGAFQWSA-N 278.783 3.521 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(Br)c1C 88444601 AWCVANBVSFMDKL-UHFFFAOYSA-N 296.208 3.796 30 20 CHED C=CCCOCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 143164213 RRXLPAQKGIQHPI-UHFFFAOYSA-N 289.419 3.535 30 20 CHED CC1(C)CCC[C@@H](C(=O)N(CCC#N)CC(F)(F)F)C1 178973357 LHTAMYXIJYDTFC-LLVKDONJSA-N 290.329 3.507 30 20 CHED C#CCCNc1ccc(Br)c(Cl)c1 230309636 ADZSVPGGQDVPQI-UHFFFAOYSA-N 258.546 3.538 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2ccn(C)c12 191603757 DXJFXBWESKFNKL-UHFFFAOYSA-N 268.360 3.885 30 20 CHED CCC1(C/N=C(/O)C(=O)c2ccc(O)cc2)CCCCC1 331246595 SIYLSPDPPKLEDB-UHFFFAOYSA-N 289.375 3.892 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C 424866092 DXMXNCWAVKMHBK-UONOGXRCSA-N 251.414 3.728 30 20 CHED CCC[C@]1(C)CCCN(/C(O)=N/Cc2ccc(O)cc2)C1 330935750 OUAVPVHNFZDDHY-QGZVFWFLSA-N 290.407 3.708 30 20 CHED C=C(CN[C@H](C)Cc1ccc(O)cc1)c1ccccc1 510280283 BESHUFVWTICDLM-OAHLLOKOSA-N 267.372 3.626 30 20 CHED CCCC1(CNc2nc(Cl)c(C#N)s2)CC1 233059173 DUOQFFIHGGNRFG-UHFFFAOYSA-N 255.774 3.660 30 20 CHED COc1ccc(C)cc1[C@H](C)/N=C(/O)N[C@@H]1CCC[C@H]1C 330373904 LZLWRTXFNYTOBD-VNHYZAJKSA-N 290.407 3.757 30 20 CHED Cc1ccncc1/C(O)=N/[C@H](CC(=N)O)C1CCCCC1 331034230 KYFVYNOMDHFSHE-CQSZACIVSA-N 289.379 3.569 30 20 CHED CC[C@H](/N=C(/O)N[C@@H]1CCc2c(OC)cccc21)C(C)C 330975172 NXKDPHMLFNUHQP-LSDHHAIUSA-N 290.407 3.621 30 20 CHED CC(C)c1ncsc1/C(O)=N/CC(C)(C)[C@@H](O)C(C)C 331316632 JHASPCYWZJKRQK-ZDUSSCGKSA-N 298.452 3.614 30 20 CHED C[C@H](C(=O)N1CCC[C@H]1c1ccco1)c1cccc(C#N)c1 336036554 SHDBMKWGWKYODM-BBRMVZONSA-N 294.354 3.618 30 20 CHED N#CCC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 336354565 POQPJZFRVOSZOU-UHFFFAOYSA-N 288.709 3.998 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ccnc2c(OC)cccc12 435600605 DQPGULARYAXTCW-SCLBCKFNSA-N 298.386 3.637 30 20 CHED C=CCCCCNc1ccc(-c2cncnc2)cc1 520343255 LGXGXXJDMGQNNU-UHFFFAOYSA-N 253.349 3.912 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CCC#N)c(F)c1Cl 345885156 MIVLZQMEYBHFJI-UHFFFAOYSA-N 296.773 3.847 30 20 CHED Cc1c(NCc2ccc(CC#N)cc2)cccc1[N+](=O)[O-] 342445955 NIHQJGNRROMMAX-UHFFFAOYSA-N 281.315 3.581 30 20 CHED N#Cc1nc(N2CCC[C@H](c3ccccc3)C2)ccc1Cl 431474799 DHZKWXSFLWCBQP-AWEZNQCLSA-N 297.789 3.991 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCCC(F)(F)F 436310669 SADLQVFAWVNHPK-UPJWGTAASA-N 279.346 3.678 30 20 CHED COCCn1c(-c2ccc(C#N)c(C)c2)nc2ccccc21 435698330 QOLGAPHLUVLVLI-UHFFFAOYSA-N 291.354 3.530 30 20 CHED C=C(CC)CN(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 520590114 SBVKQMFBVKPMEI-MRXNPFEDSA-N 292.492 3.776 30 20 CHED CCS[C@@H]1CCC[C@H](Nc2cc(C#N)cc(C)n2)C1 342818270 VLTQCVHROMZZBG-UONOGXRCSA-N 275.421 3.738 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C1CCCC1)C(F)(F)F 439379685 LLZCERSYXKKILC-NWDGAFQWSA-N 292.345 3.761 30 20 CHED N#Cc1cccnc1NCc1ccc(OC2CCCC2)cc1 343147743 IXPCLTMPPOFWLY-UHFFFAOYSA-N 293.370 3.887 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1cccc(Br)c1 245770525 KKRUMCRHHFMAEC-VXGBXAGGSA-N 295.224 3.992 30 20 CHED C=CCOc1ccccc1-c1nc(-c2ccc(C)nc2)no1 346001546 WNFPGKPKQKFFCT-UHFFFAOYSA-N 293.326 3.672 30 20 CHED CC1(NC(=O)c2cc3ccccc3n2CC#N)CCCCC1 609166237 MAPYGXSZZPEMNB-UHFFFAOYSA-N 295.386 3.617 30 20 CHED CC(C)O[C@@]1(C)C[C@H]1Nc1cccc(C(F)F)c1C#N 528203653 DNDJWWNIMDWGMU-HIFRSBDPSA-N 280.318 3.864 30 20 CHED N#Cc1ccc(SCc2nc3ccc(F)cc3o2)nc1 342081524 XJPDAMQIDGJHEB-UHFFFAOYSA-N 285.303 3.526 30 20 CHED COCC[C@@H](Nc1ccc(C#N)cc1F)c1ccc(C)o1 349629911 JLUWFUKHJXZPJF-OAHLLOKOSA-N 288.322 3.789 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NC[C@H](C)CCC#N 602578943 PZBWNEMMGYELOX-JKIFEVAISA-N 256.393 3.839 30 20 CHED C[C@H]1CC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 438864090 NOJKZATYGFVERO-XIRDDKMYSA-N 299.418 3.909 30 20 CHED C=CCCCNc1cccc(-c2nccc(C)n2)c1 607149570 AUFNKAHACXNZGC-UHFFFAOYSA-N 253.349 3.830 30 20 CHED CCC(C#N)(CC)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 528156816 GUTNVLIEBCZQOH-OAHLLOKOSA-N 284.403 3.926 30 20 CHED COc1cccc(/C=C2/CCc3c(O)cccc3C2=O)c1 255696987 JRGSRZUABFZQEV-RAXLEYEMSA-N 280.323 3.613 30 20 CHED C[C@@H]1CCN(CCOc2ccc(C#N)cc2)[C@H]2CCCC[C@H]21 603846872 FPDNGWGJTWDOCG-MNEFBYGVSA-N 298.430 3.838 30 20 CHED Cc1ccnc(Nc2cnn(CCC(C)C)c2C)c1C#N 343520355 DCNCNBFMKQHPPE-UHFFFAOYSA-N 283.379 3.556 30 20 CHED S=C(NN=C/C=C\c1ccccc1)Nc1ccccc1 254670538 VUSJWJPMCCHPMX-XQVAPKGHSA-N 281.384 3.672 30 20 CHED C[C@H](c1ccccc1)N1CCO[C@@H](c2cccc(C#N)c2)C1 341802275 YPXWVXJESQNPNL-DNVCBOLYSA-N 292.382 3.693 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@H]1c1ccccc1 342687455 FIORVLTXDXUPJO-KRWDZBQOSA-N 287.403 3.723 30 20 CHED CCSCC[C@@H](C)N(C)c1ncc(C#N)cc1Cl 348164135 ARVHDARNLQYXHP-SNVBAGLBSA-N 283.828 3.575 30 20 CHED C=CCCN(C)Cc1ccccc1OCc1ccncc1 343447514 SWPQPOGZRIOGSU-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C=CCCCCCSc1ncccc1[N+](=O)[O-] 447304647 LUTYSSZKXNPKEG-UHFFFAOYSA-N 252.339 3.828 30 20 CHED C=CCC1(C(=O)NC(C2CC2)C2CC2)CCCCC1 448637776 JKAQDOAWSFPAJM-UHFFFAOYSA-N 261.409 3.818 30 20 CHED Cc1cocc1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 528297942 AXCMZBYHSLKJFF-UHFFFAOYSA-N 296.370 3.758 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](CCC)Cc1ccccc1 448899864 ZBQZMJSGAJIHEH-HNNXBMFYSA-N 259.393 3.726 30 20 CHED CCn1c(-c2ccc(C#N)cc2F)nc2ccccc21 448109822 QGENRUBTSLDHBM-UHFFFAOYSA-N 265.291 3.734 30 20 CHED Cc1c(CNCCC#N)sc2c(Cl)cccc12 353239260 ZAQNCCRBUATASJ-UHFFFAOYSA-N 264.781 3.866 30 20 CHED C[C@@H]1C[C@@H](CNc2ccc(C(F)(F)F)cc2C#N)CCO1 356789867 GMARUBZILOBIBH-MNOVXSKESA-N 298.308 3.804 30 20 CHED C=CCC1(C(=O)N(C)Cc2scnc2C)CCCC1 449853632 WESPYAYOURUJHQ-UHFFFAOYSA-N 278.421 3.546 30 20 CHED Cc1cc(CNC[C@H](C)Oc2ccc(F)cc2)ccc1C#N 444004972 UFZSPNMDIBWGFR-AWEZNQCLSA-N 298.361 3.563 30 20 CHED Cc1ccc(N[C@H](C)CC2(C#N)CCOCC2)c(F)c1 602492714 PGANLMANCBLMBG-CYBMUJFWSA-N 276.355 3.645 30 20 CHED C=CCC[C@@H](NCc1scnc1C)c1ccco1 356091807 MPYWGRNFZNGAAT-GFCCVEGCSA-N 262.378 3.842 30 20 CHED C[C@@H](NC(=O)N1C[C@@H]2CCCC[C@@]21C)c1cccc(C#N)c1 602265228 UELPDRAGHCYZIM-SKDZVZGDSA-N 297.402 3.593 30 20 CHED C=CCCO[C@@H](C)C(=O)NCC1(CC(C)C)CCCC1 446286789 FMRZLTJADYEKBQ-HNNXBMFYSA-N 281.440 3.690 30 20 CHED C[C@H](CCC#N)CNCCc1ccc(C(F)(F)F)cc1 602508952 PGLKYFQTDBVBII-GFCCVEGCSA-N 284.325 3.777 30 20 CHED Cc1occc1-c1noc(/C=C/c2ccc(C#N)cc2)n1 354070414 VQYIAYGDTBKVQS-VOTSOKGWSA-N 277.283 3.680 30 20 CHED CC(C)(NCC1(C#N)CC1)c1cccc(Cl)c1F 352276487 UHDQWFFFJWRQCR-UHFFFAOYSA-N 266.747 3.608 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CC2CCCCCC2)C1 535321121 KJKPGSMOXUPCKS-PBHICJAKSA-N 276.424 3.936 30 20 CHED C=C(C)CN(C)[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 351061626 HCYRUUYEKBGSMI-NVXWUHKLSA-N 288.435 3.540 30 20 CHED CC(C)(C)C1=CCN(Cc2cc(C#N)cs2)CC1 538794760 SCMFSLVIFAUTRT-UHFFFAOYSA-N 260.406 3.798 30 20 CHED C[C@H](Cc1ccccc1C(F)(F)F)NCC(C)(C)C#N 619509212 FPRXQTRPZKKMMB-LLVKDONJSA-N 284.325 3.776 30 20 CHED C=CC[C@H]1N(Cc2cccc(O)c2OC)CCCC1(C)C 446829747 LDMHLVZMPJQHJN-MRXNPFEDSA-N 289.419 3.968 30 20 CHED N#Cc1ccc(SCc2nc(-c3cccs3)n[nH]2)cc1 354235264 FJKGJYNMNOCFME-UHFFFAOYSA-N 298.396 3.697 30 20 CHED C=CC1CCN(C(=O)c2ccc3c(c2)CCCCC3=O)CC1 354203643 MGNIKRIBHMQAFQ-UHFFFAOYSA-N 297.398 3.634 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc2sccc2c1 268478041 KSKLEXPSBXSEAN-HNNXBMFYSA-N 272.373 3.569 30 20 CHED CCC[C@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1 353020511 IOMMLZUGNPXKMG-ZDUSSCGKSA-N 290.382 3.729 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1 355285652 WKQOCKMRITZFOS-GJZGRUSLSA-N 273.351 3.544 30 20 CHED Cc1cscc1CNC(=O)C[C@@H](CC#N)c1ccccc1 357130803 UBRBVWOHAMPHOD-OAHLLOKOSA-N 298.411 3.760 30 20 CHED CCCc1noc(CSc2ccc(C#N)cc2Cl)n1 268218733 IYTQSCAAXYXMDV-UHFFFAOYSA-N 293.779 3.839 30 20 CHED C=C(CC)CNc1cc(NC(=O)C(C)C)ccc1C 537994254 BHHHROQCMKPFBR-UHFFFAOYSA-N 260.381 3.968 30 20 CHED N#Cc1ccc(N2CC[C@@H](CSc3ccccc3)C2)nc1 266245315 YRZUCXOJQLTBOV-OAHLLOKOSA-N 295.411 3.572 30 20 CHED C[C@@H](NC(=O)[C@H]1CCCC(C)(C)C1)c1ccc(C#N)cc1 535137307 IPSVVEONPNSQEZ-CJNGLKHVSA-N 284.403 3.952 30 20 CHED C=CCC1(NC(=O)C[C@H]2OCCc3ccccc32)CCCC1 619107672 HJVAMNQETDBTLS-QGZVFWFLSA-N 299.414 3.696 30 20 CHED C=CCC1(C(=O)NCC[C@@H]2CCCCO2)CCCCC1 450521821 YLRBGFOLTPPFCN-HNNXBMFYSA-N 279.424 3.588 30 20 CHED C=CCCNC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 617614753 MLQIAHBJVHLHSW-UHFFFAOYSA-N 299.374 3.530 30 20 CHED CC(C)(C#N)CCNC1(c2ccc(F)cc2F)CCC1 537411977 QFZYEZLSFRCJSI-UHFFFAOYSA-N 278.346 3.873 30 20 CHED CSCc1ccccc1NC(=O)N(C)CC(C)(C)C#N 455129834 CBYLOVLREXAKJQ-UHFFFAOYSA-N 291.420 3.563 30 20 CHED C=CCCCCNCc1cc(Cl)c(O)c(OCC)c1 459532864 OFBVEWUROVVUBA-UHFFFAOYSA-N 283.799 3.890 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2cccc3c2CCCC3)C1 612290005 FYYIKFVCDNYDRM-GOSISDBHSA-N 297.402 3.723 30 20 CHED C=CCCc1ccccc1NC(=O)c1ccnn1CCC 614480661 ZJCSJJQUXBQUQY-UHFFFAOYSA-N 283.375 3.664 30 20 CHED CCCC[C@@H](CCC)NC(=O)N(C)CC(C)(C)C#N 458483248 ABICWTZOSMKXTQ-CYBMUJFWSA-N 267.417 3.536 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(F)ccc(F)c2F)C1 617780121 ORHNEPZQJSPTCE-SNVBAGLBSA-N 283.293 3.532 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1ccc(C#N)c(Cl)c1 278696664 HZDZCXNKSXUCAB-UHFFFAOYSA-N 289.766 3.504 30 20 CHED CC#CCCNC(=O)c1cc(C(C)C)nc2ccccc12 544580608 ANRJOGZCOCFSNA-UHFFFAOYSA-N 280.371 3.501 30 20 CHED Cc1cc(Cl)c(C(=O)N[C@@H](C#N)CC(C)C)cc1C 611568270 UEUAHTHHQZLTIW-GFCCVEGCSA-N 278.783 3.625 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(SC)c(OC)c1 271437272 CXKYJFRPFPUCPD-SNVBAGLBSA-N 271.813 3.820 30 20 CHED C=CCCNC(=O)c1c(F)ccc(SCC2CC2)c1F 617611819 SDTXOROKGPUBET-UHFFFAOYSA-N 297.370 3.773 30 20 CHED C=CCCCc1nc(COc2ccc(Cl)cc2)no1 544864897 FQXHGCXFZMRMIM-UHFFFAOYSA-N 278.739 3.811 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 451377477 NUHPHSVZKDSDER-KDOFPFPSSA-N 288.435 3.745 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(C3CC3)on2)CCCC1(C)C 278208375 FMGXYNNHKXCOTP-OAHLLOKOSA-N 288.391 3.759 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1coc2ccc(C)cc12 626851635 SQTLRSNZKZPPCC-AWEZNQCLSA-N 271.360 3.755 30 20 CHED C=C(CC)CNC(=O)N(Cc1c(F)cccc1F)C1CC1 459105494 WGTAHJCWSOBHNZ-UHFFFAOYSA-N 294.345 3.605 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 541777789 MJKKCWHYABWDIK-SMDDNHRTSA-N 290.794 3.910 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(C(F)(F)F)cc1C 451966321 OLMMKKSZHGHUMX-UHFFFAOYSA-N 296.292 3.556 30 20 CHED N#CCCCNC(Cc1ccccc1)Cc1ccccc1 273272799 OSEDKPHIFHWPIV-UHFFFAOYSA-N 278.399 3.734 30 20 CHED C=CCC(CC=C)C(=O)N(CC=C)CCc1ccco1 272463046 KOXWEOSOQRZZTK-UHFFFAOYSA-N 273.376 3.605 30 20 CHED C=CCN(Cc1ccccc1C(C)(C)C#N)C1CC1 271542171 ZANUOQARECQXKF-UHFFFAOYSA-N 254.377 3.638 30 20 CHED Cc1ccnc(N2CCCC[C@H]2Cc2ccccc2)c1C#N 544066070 JSALQAKOKXYKMP-KRWDZBQOSA-N 291.398 3.863 30 20 CHED Cc1ccccc1C[C@@H]1CCCN1CCCSCC#N 466744090 PMAJIEWPPWHRNK-KRWDZBQOSA-N 288.460 3.649 30 20 CHED CC[C@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 278579007 RRCJEJNTMFYCOT-ZDUSSCGKSA-N 278.783 3.847 30 20 CHED C=CCCn1cc(CN(C)C[C@@H](C)C2CCCCC2)nn1 625987954 LZTGODNAIDDBPI-OAHLLOKOSA-N 290.455 3.502 30 20 CHED C=CCSCCNC(=O)Nc1cccc(CSC)c1 540974023 QQEUJUVTMOWOHV-UHFFFAOYSA-N 296.461 3.590 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1 461792138 RZJHMTDJIBSWCN-LLVKDONJSA-N 293.301 3.899 30 20 CHED N#Cc1c(CN2CCC3(CCCC3)CC2)cn2ccccc12 558422292 BASKUKWAGXTAIS-UHFFFAOYSA-N 293.414 3.967 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCCC[C@@H](C)C1 460944277 QIWLNOVACSBZNT-CQSZACIVSA-N 276.428 3.604 30 20 CHED C[C@H]1CCN(c2ccc(C#N)cn2)CC12CCCCC2 462697702 WSMJXXYKPOTNGE-AWEZNQCLSA-N 269.392 3.750 30 20 CHED N#CCCSc1ccccc1NCCOC1CCC1 288645365 DJBYVHDAFSJIBQ-UHFFFAOYSA-N 276.405 3.673 30 20 CHED CC(C)CCn1cccc1CNCCc1cccc(C#N)c1 466426045 RBINSBBXMDBDOD-UHFFFAOYSA-N 295.430 3.738 30 20 CHED C=CCC[C@H](NCCCn1nc(C)cc1C)c1ccco1 285653988 MJZJNQWBXNQKOA-INIZCTEOSA-N 287.407 3.780 30 20 CHED Cc1ccc(CN(C)C(=O)[C@H](C)c2cccc(C#N)c2)s1 462022189 ZKJOUSWTXADENB-CYBMUJFWSA-N 298.411 3.690 30 20 CHED C=CCOc1ccc(CNCC(C)(C)CCC#N)cc1 285750861 YSKTXGOMJGPWNX-UHFFFAOYSA-N 272.392 3.671 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 467062159 YEVYVEXETIVOEO-QZTJIDSGSA-N 279.383 3.978 30 20 CHED C=C(C)CCc1noc(C(F)(F)c2ccccc2)n1 285280515 ZQZNXPYGBLNBLY-UHFFFAOYSA-N 264.275 3.718 30 20 CHED CC(C)[C@@H](Cc1ccccc1)N[C@H]1CC[C@@H](CC#N)C1 296622468 WYFVPLOLJDBKKY-OKZBNKHCSA-N 270.420 3.926 30 20 CHED Cc1ccccc1[C@H](NC(=O)CCCC#N)C(C)(C)C 291977903 UFHAABBLUYTXJK-INIZCTEOSA-N 272.392 3.892 30 20 CHED C/C=C/c1ccc(NC(=O)c2cccc(C#N)c2)cc1 553697622 RJZHLQXBCKQLJR-DUXPYHPUSA-N 262.312 3.844 30 20 CHED C#Cc1ccc(CNc2ccc(CN(C)C)c(Cl)c2)cc1 809657831 SVQRYNRWDGCTQU-UHFFFAOYSA-N 298.817 3.995 30 20 CHED CC#CC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 801137644 GHCDUEHFDLUPAS-QGZVFWFLSA-N 297.785 3.763 30 20 CHED C[C@H](OC(=O)c1cnccc1C#N)c1cccc(Cl)c1 805714950 KCMQQFBTUKMDOF-JTQLQIEISA-N 286.718 3.525 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCC[C@](C)(CCC)C1 473891467 UFXNFPOONXXCRV-DLBZAZTESA-N 281.440 3.644 30 20 CHED C#Cc1ccc(CNc2ccc(OCCOC)cc2C)cc1 809597458 GENLIDVPXDDBIE-UHFFFAOYSA-N 295.382 3.614 30 20 CHED C=CCC[C@@H](O)CN(Cc1cccc(F)c1)C1CCCC1 472759371 ZMJHKMIJBWMFAU-GOSISDBHSA-N 291.410 3.897 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1c(F)cccc1F 298922207 DSZHAXDNXUNQOR-LLVKDONJSA-N 282.334 3.633 30 20 CHED C[C@H](C#N)OCCN(C)C1c2ccccc2-c2ccccc21 801934250 IGUORLIQRJUCMM-CQSZACIVSA-N 292.382 3.617 30 20 CHED COc1cc(C#N)ccc1COc1cccc(Cl)c1F 478821405 AHRFDJUHJRREFD-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC(C)c1[nH]ccc1C(=O)OCCCC(C)(C)C#N 803778550 SXJXADXVWHKAPK-UHFFFAOYSA-N 262.353 3.625 30 20 CHED N#CCCCOc1cccc(CN[C@@H]2CCC[C@H](F)C2)c1 564960856 JMTFRIXEHIFKRJ-JKSUJKDBSA-N 290.382 3.739 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)nc1C 293095576 XJXHZBLCOJEHQO-UHFFFAOYSA-N 293.370 3.946 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)cc1 291464668 PMZPERVBCLPZTC-INIZCTEOSA-N 288.416 3.609 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCSCc1ccccc1 471164846 JUMRSNWSADKFCD-MRXNPFEDSA-N 289.444 3.877 30 20 CHED C=CCC(CC=C)C(=O)NCc1oc2ccccc2c1OC 474926819 BZZOVQPQTHNRGT-UHFFFAOYSA-N 299.370 3.826 30 20 CHED Cc1ccccc1NCCCOc1cccc(C#N)c1 477584509 QFADYOFQVLXJCM-UHFFFAOYSA-N 266.344 3.748 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2ccc(CC#N)cc2)CC12CCC2 292764871 VUWHMOIKAUWHIW-MRXNPFEDSA-N 297.402 3.795 30 20 CHED CC(C)=C(C)C(=O)Nc1ccc(C#N)c(Br)c1 808871258 HICHANGODLKVPV-UHFFFAOYSA-N 293.164 3.616 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[C@H]1C1CC1 806159224 ZXCDVOLYUFHQOB-KWCYVHTRSA-N 256.349 3.578 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 476257938 WRPAAIYLZOKIEP-UONOGXRCSA-N 290.794 3.847 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H](C)[C@H](C)CC)cc1 560708744 JOLHPEFJPVDIJZ-ZIAGYGMSSA-N 275.392 3.550 30 20 CHED CCCCCCCC(=O)NC[C@@H](O)c1cc(C)cc(C)c1 801531398 MQYWFIMHQKSOPX-QGZVFWFLSA-N 291.435 3.814 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@@H]2c2cccc(OCC)c2)CCC1 480629053 BMHPQULAFXAWSZ-IAGOWNOFSA-N 299.414 3.804 30 20 CHED CC(C)CC1(CNC(=O)N2CCC(CCC#N)CC2)CC1 563043105 PLOCTUJYZIJCSK-UHFFFAOYSA-N 291.439 3.538 30 20 CHED FC(F)C(F)(F)CN1CCC[C@@H](CC(F)(F)F)C1 817282309 YYLCTEGIAGIXHX-ZETCQYMHSA-N 281.215 3.551 30 20 CHED C#CCON=C1CCCc2[nH]c3ccc(Cl)cc3c21 812233020 LEEZDGOLYRGOFN-UHFFFAOYSA-N 272.735 3.512 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@H]4CCC[C@H]4C3)c2c1 488128463 RVDARICUUHILRL-OKILXGFUSA-N 277.371 3.651 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](C)c1cccc2ccccc12 811992549 JZVLVFHXKJSGBB-ZFWWWQNUSA-N 280.371 3.612 30 20 CHED CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NOCC1CC1 814243094 FHOSYYDWYBPRHO-AWEZNQCLSA-N 296.411 3.579 30 20 CHED CCON=C(Cc1ccccc1Cl)c1ccoc1 814788719 HQRDJKNXUMMJPC-UHFFFAOYSA-N 263.724 3.916 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc(F)cc(Cl)c1 485700705 HGPLNYTUSAARPC-UHFFFAOYSA-N 288.753 3.983 30 20 CHED CC1(C)CC(=NOC/C=C/Cl)c2ccoc2C1 811671879 LZWIPTMGSTUNAJ-GRVSOMSRSA-N 253.729 3.725 30 20 CHED CN(CCCOc1ccccc1)Cc1ccc(F)cc1C#N 489653234 YIKQDYLVRHCXBW-UHFFFAOYSA-N 298.361 3.598 30 20 CHED Fc1cccc(NN=Cc2nc3c(s2)CCCC3)c1F 814859578 USKBWTWTUFUJHS-UHFFFAOYSA-N 293.342 3.746 30 20 CHED C=CCC(F)(F)C(=O)OC[C@@H](C)c1ccc(OC)cc1 816001519 UYVVEMZARUURTJ-LLVKDONJSA-N 284.302 3.553 30 20 CHED N#Cc1c(F)cccc1/C=C1/Cc2c(F)cc(F)cc2C1=O 811694352 VOFRNTVRTLAGMR-WMZJFQQLSA-N 299.251 3.798 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccc(F)c(C)c2)cc1 578898727 FIJXXBRBRANKNS-KRWDZBQOSA-N 296.345 3.691 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1nncc2ccccc12 814706354 YHXICXFFRDILJA-CQSZACIVSA-N 293.374 3.748 30 20 CHED Oc1c(C=NOCCC2CC2)ccc2ccccc12 814941756 SYZHOUUHXBMQMD-UHFFFAOYSA-N 255.317 3.696 30 20 CHED C[C@@H]1[C@@H](CNC(=O)CCc2ccc(C#N)cc2)CCC[C@H]1C 482697041 PKIQWNLFFUBUSH-RVKKMQEKSA-N 298.430 3.679 30 20 CHED CCCCCCCCOCC(=O)N1CC(C)(CC)C1 812693168 SGIDQZWBCNDGNF-UHFFFAOYSA-N 269.429 3.622 30 20 CHED C=CC[C@H]1CCCC[C@H]1Nc1cnn(Cc2ccncc2)c1 657955180 FCHYBAHJIFVAKA-FUHWJXTLSA-N 296.418 3.873 30 20 CHED COc1cccc(NN=Cc2c(C)c3ccccc3n2C)c1 814777859 YRQFBGDYHLVCTO-UHFFFAOYSA-N 293.370 3.941 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(/C=C/C)cc1 487944624 AJHUDNZVQHMFIM-SBJJXXPASA-N 284.403 3.721 30 20 CHED CC[C@@H](NCC[C@@H](C)N1CCCCC1)c1ccc(C#N)cc1 571610344 AXZFKBFAXYKSHE-VQIMIIECSA-N 299.462 3.863 30 20 CHED C=C(C)[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccc(F)c(F)c1 480664018 WPCOZDPTLUGHAP-UVBJJODRSA-N 281.346 3.739 30 20 CHED CC(C)(C/N=C/c1cccc(O)c1O)c1ccc(F)cc1 728437420 CDCBVCJKZWREBH-VXLYETTFSA-N 287.334 3.634 30 20 CHED CC1(C)CCCN(C/C=C/c2ccc(F)cc2F)[C@@H]1C#N 572569259 CITULKOVTUTBBT-LLCTXKFZSA-N 290.357 3.992 30 20 CHED CCCCC[C@H](/N=C\c1c(O)ccc2ccccc12)C(=O)O 829312678 YMXHZIQADLPHOG-JJBLJPBOSA-N 299.370 3.998 30 20 CHED C#Cc1ccc(C(=O)Oc2cccc(C(C)(C)C)c2)nc1 728802049 NGUXMPUVSRAUTA-UHFFFAOYSA-N 279.339 3.580 30 20 CHED N#CC1(CCN2CC[C@H](c3ccncc3)C2)CCCCC1 577121888 KABANPRMSXBFAD-KRWDZBQOSA-N 283.419 3.735 30 20 CHED CC(=O)CCCCCSc1cccc(F)c1C#N 570647238 JBQMMUVCDYJYFF-UHFFFAOYSA-N 265.353 3.939 30 20 CHED CC[C@@H](CC#N)NCc1c(Cl)ccc2cccnc12 576440604 NHHNELQJRAHMJA-LBPRGKRZSA-N 273.767 3.670 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CCCC[C@H]1C)c1ccccn1 820007262 SMKOQBMYDYIOBF-FMKPAKJESA-N 271.360 3.516 30 20 CHED COc1ccc(NN=C(C)c2cnn(CC3CCC3)c2)cc1 901206845 MOQZIMUHBMNCBK-UHFFFAOYSA-N 298.390 3.528 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1c1c(C)cccc1C 664704927 ZTOZNWCFHLEKHP-INIZCTEOSA-N 284.403 3.563 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C)CCC=C(C)C 584608273 OVFALBOLUSCACB-NUJGCVRESA-N 293.451 3.856 30 20 CHED C#CCOc1cccc(OCc2cc(C)ccc2OC)c1 730439705 XCXDVSPRGQMHPQ-UHFFFAOYSA-N 282.339 3.595 30 20 CHED CCCN(C(=O)c1c[nH]c(C#N)c1)c1ccc(CC)cc1 836850044 CTTHJDRMXGLJBA-UHFFFAOYSA-N 281.359 3.506 30 20 CHED CC(C)(C)C(=O)CCCC(=O)O[C@H](C#N)C1CCCCC1 835340679 CHAFMZQXXZREBS-CQSZACIVSA-N 293.407 3.788 30 20 CHED CC(C)(C)c1ncsc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839449068 LDLBULNAEMJCAV-QWRGUYRKSA-N 292.404 3.680 30 20 CHED C=CCC(C)(C)C(=O)O[C@H](C)CCCc1cccnc1 835934598 XUGFCNRWZXGONQ-CQSZACIVSA-N 275.392 3.938 30 20 CHED C=CCCc1noc([C@@H]2C[C@H]2c2ccc(N(C)C)cc2)n1 834814578 MPEXAVGNHGOLJD-LSDHHAIUSA-N 283.375 3.525 30 20 CHED C=C(Br)CNC1CC(C)(c2ccccc2)C1 838937578 MUEYDVIIIYGFAG-UHFFFAOYSA-N 280.209 3.605 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(Cl)c1C 905050386 VUALXRHNDCDPFE-FZMZJTMJSA-N 279.767 3.568 30 20 CHED CCSc1cccc(/C=C\C(=O)c2cc(C)n(C)n2)c1 901555093 NICPWYUCEVUQIX-HJWRWDBZSA-N 286.400 3.737 30 20 CHED CC(C)(C)OC1CC(CCNC(=O)CCCCCC#N)C1 588165407 LEGXKJLOPHQBPZ-UHFFFAOYSA-N 294.439 3.560 30 20 CHED N#Cc1ncccc1N[C@@H]1CCC[C@@H]1c1ccccc1 580373312 PTPFCYQHCHWDDF-HUUCEWRRSA-N 263.344 3.701 30 20 CHED C=CCC[C@@H](NC(=O)NC1(CF)CCC1)c1ccccc1 580558077 RMJKNVOSBUZMAW-OAHLLOKOSA-N 290.382 3.885 30 20 CHED N#Cc1cccc(S[C@@H](C(=O)O)c2ccccc2F)c1 833074771 BXHBWEVDMPYDRS-CQSZACIVSA-N 287.315 3.615 30 20 CHED Cc1c(C(=O)N(C)c2ccc(C#N)cc2F)ccn1C(C)C 590982139 SBUALFXGMDVQPD-UHFFFAOYSA-N 299.349 3.665 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNc1nccnc1Cl 748251493 KXUQDJRUPZUARE-VIFPVBQESA-N 266.776 3.744 30 20 CHED COCc1cccc(C=NNc2cc(C)ccc2C)c1 743429758 AQQHGSCQJSYNGC-UHFFFAOYSA-N 268.360 3.896 30 20 CHED COc1cccc(C(=O)/C=C/c2cnc3cccc(C)n23)c1 748994190 JTZFDTSFWYHZIN-MDZDMXLPSA-N 292.338 3.547 30 20 CHED CCN(C(=O)/C=C\c1ccsc1)c1ccc(C#N)cc1 742223137 PCEQLCCKZVTRHD-YVMONPNESA-N 282.368 3.686 30 20 CHED C=C(CNC(=O)[C@H]1C[C@@H]1c1sccc1C)c1ccccc1 672478219 MCOKINDIYNEDQK-HOTGVXAUSA-N 297.423 3.990 30 20 CHED C=CCC1(NC(=O)Nc2cccc(CC#N)c2)CCCC1 596926547 WCESRBNMQNYLRQ-UHFFFAOYSA-N 283.375 3.763 30 20 CHED C=CCN(CCC#N)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 597683911 KWNBQIKWVBPHKH-ROUUACIJSA-N 296.414 3.574 30 20 CHED S=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)Nc1ccccc1 915923474 DYIQZKMWVUJRIE-UNQGMJICSA-N 299.443 3.785 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@@](C)(CN)C1 841857581 IWGOZZZDGUAEBH-KRWDZBQOSA-N 297.487 3.507 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](c1ccccc1)C(F)F 590120707 XTBDTCIAURMTIP-MRXNPFEDSA-N 286.325 3.963 30 20 CHED CC[C@H](NC(=O)NCCCCC#N)c1cc(C)ccc1C 598983554 PIYKSKJXHMRPLD-INIZCTEOSA-N 287.407 3.748 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1ccncc1 919653496 FEYODCGHBZBCAH-UHFFFAOYSA-N 291.439 3.974 30 20 CHED CCCCCCCCNC(=N)NCC1(CC)CCOCC1 849096680 IOOAGFLDHCGVBX-UHFFFAOYSA-N 297.487 3.668 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)c1sccc1C#N 748096909 XDAHHLCPGZMETG-GFCCVEGCSA-N 285.368 3.798 30 20 CHED C[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)[C@H]1CCC[C@@H](C)C1 590839753 LGULHKYZXFCGPC-AESZEHBQSA-N 291.439 3.536 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)s1 915993175 LOIYDJNAZMKQIU-VURMDHGXSA-N 297.379 3.837 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccnc1Cl 841893791 JMLOIVJTIKBKEZ-INIZCTEOSA-N 297.789 3.774 30 20 CHED C=CCCOC(=O)[C@H](C)CCc1ccccc1F 744049111 IRMGTWYJYHNSBX-GFCCVEGCSA-N 250.313 3.514 30 20 CHED CC/C(=C\C(=O)O[C@@H](C)C#N)c1cccc(Cl)c1 745753521 KPOUHJWLZDSFEN-NGPGYTDTSA-N 263.724 3.589 30 20 CHED C[C@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 595087832 FGFBMUPXDRNXOA-SGTLLEGYSA-N 278.355 3.602 30 20 CHED CC(C)(C)c1nc(CSc2ccc(C#N)cn2)co1 916582670 TVUPPOBNCDSXEC-UHFFFAOYSA-N 273.361 3.531 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC[C@H](CC(F)(F)F)C1 595551420 LRVBWFCAJGOGOE-OCCSQVGLSA-N 282.309 3.916 30 20 CHED CCCCCCCSc1nnc2cc(C)nc(C)n12 915794930 ZWLPUDNRBPLATG-UHFFFAOYSA-N 278.425 3.804 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]2CCC[C@@H]21 593985651 JHDLBZSYYLYWHZ-OLMNPRSZSA-N 296.414 3.528 30 20 CHED CCc1ccccc1NN=C1C(=O)Nc2c(C)ccc(C)c21 915051691 NIJZSPUDGNANGO-UHFFFAOYSA-N 293.370 3.634 30 20 CHED CC(C)[C@@H](C/N=C\c1cccc(O)c1O)c1ccccc1 915112804 GXTKYRXPIAXLOM-VXIUPONVSA-N 283.371 3.957 30 20 CHED C#CCC(C)(C)COC(=O)c1ccc(C(F)F)cc1F 847675123 BISZICWKWFHXNN-UHFFFAOYSA-N 284.277 3.970 30 20 CHED C=C[C@H](C)ONC(=O)N(Cc1ccc(Cl)cc1)C1CC1 845640049 UNCONQPQJYOXOQ-NSHDSACASA-N 294.782 3.520 30 20 CHED C[C@H]1CCCCCC1=NNc1ccc(CC(=O)O)cc1 848415769 YBPALUMIGYXFDP-LBPRGKRZSA-N 274.364 3.682 30 20 CHED CCOc1cccc(/C=N\CCOc2ccc(C)cc2)c1O 920942079 JRLPWAWDTSSMJG-UYRXBGFRSA-N 299.370 3.597 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cc(C)c(F)c(C)c1 741459426 ANBZVNXWTBLSAN-UHFFFAOYSA-N 286.354 3.685 30 20 CHED N#CC1(c2cccc(-c3ccc(Cl)nc3)c2)CCOCC1 844228972 GQGRFIXOYYIEOJ-UHFFFAOYSA-N 298.773 3.974 30 20 CHED Cc1cc(NN=Cc2cccn2C)ccc1Br 920480005 YQGROLMEGSKRRL-UHFFFAOYSA-N 292.180 3.542 30 20 CHED C#CC1CCN(C(=O)/C(C)=C/c2cccc(Cl)c2)CC1 843704667 CKEHSQHAWOBXTL-ACCUITESSA-N 287.790 3.615 30 20 CHED C=CCC[C@H](NCc1ccc(C2CCCC2)cc1)C(=O)O 841805798 MBAHKWNRKVPMAU-KRWDZBQOSA-N 287.403 3.853 30 20 CHED C[C@@H](C(=O)OCC#Cc1ccc(F)cc1)c1ccccc1 751998118 RUMCUXAYVYYXNH-CQSZACIVSA-N 282.314 3.524 30 20 CHED Cc1cc(NN=C[C@@H]2C[C@@H]2C)ccc1Br 758374786 JBBPFSRCOOZQKI-WPRPVWTQSA-N 267.170 3.811 30 20 CHED CC1(C)CCC[C@@H](C=NNc2ccc([N+](=O)[O-])cn2)C1 752728206 WZBZMMPJYQGRHL-LLVKDONJSA-N 276.340 3.604 30 20 CHED Oc1ccccc1/C=N\CCCn1ccc2ccccc21 920943898 CXSMMXDNUBEEPL-RGEXLXHISA-N 278.355 3.856 30 20 CHED C[C@H]1Cc2cc(CNc3ccc(CC#N)cc3)ccc2O1 921566700 XBVBKBDQZCFLIA-ZDUSSCGKSA-N 278.355 3.688 30 20 CHED Clc1cncc(NN=C2CCc3c(Cl)cccc32)n1 921257655 MJWAGUBTZDLOGV-UHFFFAOYSA-N 293.157 3.546 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H]1C(C)(C)O 758317759 OGLASSGNTJNAFC-OAHLLOKOSA-N 298.471 3.682 30 20 CHED CCC(=NOCC(F)F)c1ccc(OC(F)F)cc1 758900688 YWZJEFVCBDEUEM-UHFFFAOYSA-N 279.233 3.684 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)OCC 756538667 OQAKLHMMNOAJLR-BBRMVZONSA-N 287.359 3.534 30 20 CHED COc1ccc(CCC(C)=NOCC2CCC2)cc1O 853441554 WAZAILRLJAHVNP-UHFFFAOYSA-N 277.364 3.526 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)CCc1ccccc1 921219211 QISPYZWLITVNJB-LSDHHAIUSA-N 276.376 3.532 30 20 CHED C=CCSCCN[C@H](C)c1cc(C)c(OC)cc1C 753679924 UHHCKEOHVCIAKG-CQSZACIVSA-N 279.449 3.882 30 20 CHED CSC(C)(C)COC(=O)CC1(C#N)CCCCC1 850927010 XBQPSHHAIZUSQM-UHFFFAOYSA-N 269.410 3.535 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(C2CC2)[C@H](C)C#N)cc1 855582989 ROISRKGFZWGKFA-QWHCGFSZSA-N 270.376 3.717 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)C[C@@H]1CCOC1 759966331 TZCGFUUIKNISFD-GJZGRUSLSA-N 269.429 3.668 30 20 CHED Cc1ccc(NN=Cc2c[nH]nc2-c2ccccc2F)cc1 755465242 GAGFANMFRLATKO-UHFFFAOYSA-N 294.333 3.970 30 20 CHED C#CC[C@H](NCc1cc(F)cc(F)c1)c1ccccc1 756997621 ZKTKFKVCLUBGSN-KRWDZBQOSA-N 271.310 3.819 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)n1 851729230 IQBPBAYVPHSKRT-UHFFFAOYSA-N 283.350 3.505 30 20 CHED CC(C)(C(=O)Oc1ccc(C#N)cc1F)C1CCCC1 757966593 OPHANJJMYKOJAB-UHFFFAOYSA-N 275.323 3.819 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N[C@@H](C#N)C(C)(C)C)cc1C 754392701 SHPWEUNRJLVQCY-WAVCKPEOSA-N 284.403 3.680 30 20 CHED CC(CC(C)(C)C)=NNCC(F)(F)C(F)(F)F 863182970 GHRBOSISUNBUTD-UHFFFAOYSA-N 260.250 3.586 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(C2CC2)cc1 1349674229 SVQNIMGDUAKGEQ-UHFFFAOYSA-N 262.312 3.688 30 20 CHED C[C@@H]1C(=NNc2cccc(F)c2Cl)CC[C@@H]1CC(=O)O 863158403 AAPVYADBNXDMCN-DTWKUNHWSA-N 298.745 3.768 30 20 CHED N#CCC1CCN(C(=O)Nc2ccc(C(F)F)cc2)CC1 933104488 ZYXRCVLRCKJDMY-UHFFFAOYSA-N 293.317 3.782 30 20 CHED N#Cc1ccc(NN=Cc2c[nH]c3cccc(F)c23)cc1 763354223 NWRHQXIJDSCBDB-UHFFFAOYSA-N 278.290 3.625 30 20 CHED C#CCCCSc1nnc(-c2ccccc2)s1 766289778 PLBMBEPTJRWYCE-UHFFFAOYSA-N 260.387 3.711 30 20 CHED C#CCCN(Cc1ccccc1Cl)CC(F)(F)F 767902778 UHZSKJJQFXZDAN-UHFFFAOYSA-N 275.701 3.728 30 20 CHED C#CCCCCCc1nc(Cc2ccc(C)c(OC)c2)no1 761438697 MQTMTIXFBPNDDL-UHFFFAOYSA-N 298.386 3.714 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(CC(C)C)CC1 860054145 HBVOSDARVOAOBS-UHFFFAOYSA-N 264.413 3.601 30 20 CHED N#CCc1ccc(CSCc2ccc(F)cn2)cc1 1118061660 YQVUJUVBXNIGKV-UHFFFAOYSA-N 272.348 3.720 30 20 CHED CCC(CC)(CC)C(=O)OCc1cc(F)ccc1C#N 761480767 HYEATGDOYLNVIA-UHFFFAOYSA-N 277.339 3.957 30 20 CHED Cn1cnc2cc(/C=C\C(=O)c3cccc(F)c3)ccc21 761196627 IVLMWUZHPALWCC-VURMDHGXSA-N 280.302 3.609 30 20 CHED C#CCCCN(Cc1ccco1)c1ccc(OC)c(F)c1 766922947 XVDOVVZOCSNOQX-UHFFFAOYSA-N 287.334 3.847 30 20 CHED C=C(CC)COC(=O)C(C)(C)c1cccc(F)c1 773513648 HYIJBHAIIBICGS-UHFFFAOYSA-N 250.313 3.613 30 20 CHED C#CC[C@@H](NCCc1cccs1)c1ccccc1 775398695 KURKHFIZOWLINV-MRXNPFEDSA-N 255.386 3.645 30 20 CHED Cc1cccc2c1CC[C@H]2NCc1cc(C#N)ccc1F 773030326 NPHDKRYPGPADDY-GOSISDBHSA-N 280.346 3.783 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1116428306 ZYOBJKFOMDRVIG-LLVKDONJSA-N 296.773 3.924 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CCc2c(Cl)cccc21)c1ccccn1 776076172 KXBLLJOEZLBBON-ZIAGYGMSSA-N 296.757 3.641 30 20 CHED C=C(C)CN[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 779199210 WPSOOLDRWXJJAK-OAHLLOKOSA-N 296.455 3.626 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)CCCc2ccccc21 777464613 XWBFFZVKKNQLQI-UVTDQMKNSA-N 267.303 3.823 30 20 CHED CCOCCON=C(C)c1oc2ccccc2c1CC 774418784 ZKNTXQXBKCKWLI-UHFFFAOYSA-N 275.348 3.772 30 20 CHED N#CC[C@@H](OC(=O)C1(c2cccc(F)c2)CC1)c1ccco1 1123368800 IWTROEJDGVIAHJ-OAHLLOKOSA-N 299.301 3.648 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1ccc(OC)c(Cl)c1 880289814 PPKGGFFQTJSDQP-UHFFFAOYSA-N 295.810 3.909 30 20 CHED C#CCCCCCC(=O)Oc1ccc(C(=O)CC)cc1F 779984407 GQWUTIHGPSJKPL-UHFFFAOYSA-N 290.334 3.908 30 20 CHED Cc1cc(C(=O)O[C@H](C#N)C2CCCCC2)c2n[nH]cc2c1 785811274 UCCSDFJWLDOXOY-OAHLLOKOSA-N 297.358 3.501 30 20 CHED CC(/C=C/C(=O)c1cc(C)nn1C)=C\c1ccccc1 789158862 ILXXRYWBLHBRGT-SNMPHBPQSA-N 266.344 3.571 30 20 CHED C=C[C@H]1CCCCN1Cc1cccc(Cl)c1O 787310583 OZYCMTMTTLUSIG-LBPRGKRZSA-N 251.757 3.586 30 20 CHED C=C(C)CCC(=O)N1CCc2cccc(Cl)c2C1 1121095314 CHDBYUVDIIMWOI-UHFFFAOYSA-N 263.768 3.581 30 20 CHED CCCCCCCC(=O)NC[C@@H](c1ccnn1C)C(C)C 788258152 UQQIQPMEFACRAQ-OAHLLOKOSA-N 293.455 3.636 30 20 CHED C=CC(C)(C)CC(=O)N(CC)c1ccccc1OC 888029916 PHOADMKQWVTSQZ-UHFFFAOYSA-N 261.365 3.650 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1ccc(C#N)c(F)c1 782288174 PAAYQEKOLCORLL-OAHLLOKOSA-N 273.355 3.590 30 20 CHED C[C@@H]1C(=O)CC[C@H](C(=O)OCCCC(C)(C)C#N)C1(C)C 784844710 KEPOSQIKWIJJFG-CHWSQXEVSA-N 293.407 3.501 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccccc1Oc1cccnc1 787088524 PFNYVGBNPPHGSQ-ZDUSSCGKSA-N 296.326 3.723 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)[C@H]1CCCO1 783812930 DSIUKUMWSRDETH-GFCCVEGCSA-N 273.163 3.960 30 20 CHED COc1ccc([C@H]2CCCN2c2cc(C)cc(C#N)n2)cc1 891509276 LTPTWSFUFBVVQX-QGZVFWFLSA-N 293.370 3.612 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2ccsc2)nc1C 781175589 FSTSDPWTYTZIGA-GFCCVEGCSA-N 286.356 3.578 30 20 CHED C=C(C)CCN[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 387405799 LTWKFYKBNDFFMB-CABCVRRESA-N 296.455 3.578 30 20 CHED C#CCC1(C(=O)N2CC[C@@H](C)C(C)(C)C2)CCCCC1 788243556 TUURKYZQJYJITH-OAHLLOKOSA-N 275.436 3.855 30 20 CHED CC(C)[C@@H]1CCCCC1=NN[C@H](CO)c1ccccc1 788460074 JDZMDEVPWPGEKA-DOTOQJQBSA-N 274.408 3.512 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccnn1C(C)C 794942956 TZAOWJGGUUPVFG-SREVYHEPSA-N 299.330 3.577 30 20 CHED O=C(/C=C\c1cnn(CC2CCC2)c1)c1ccccc1 899334020 VXBVQPCWXHILIM-KTKRTIGZSA-N 266.344 3.579 30 20 CHED C=CCCOC(=O)c1ccc(Oc2ccccc2)cn1 799551530 KECZNIGIUXIVMO-UHFFFAOYSA-N 269.300 3.607 30 20 CHED C=CCCNc1ccc(Br)cc1C(C)=O 393603981 HFPCGSIPKCXAFB-UHFFFAOYSA-N 268.154 3.640 30 20 CHED C=CCCCCC[C@H](C)NCc1cccnc1-n1cccn1 793523069 HULJPQHPJLVSFG-INIZCTEOSA-N 298.434 3.882 30 20 CHED C#C[C@@H](CCC)NC(=O)C1(c2cccc(F)c2)CCCC1 791746820 XSENFNRPUCGFMQ-INIZCTEOSA-N 287.378 3.556 30 20 CHED CC(=NNc1ncccc1F)c1ccc(F)cc1C 794991172 WEKGIHHYDDUBTC-UHFFFAOYSA-N 261.275 3.504 30 20 CHED CC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 189583154 UPZLTEDRVRXZTP-INIZCTEOSA-N 287.794 3.791 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNCCC(F)(F)F 794552958 VLPVVKXSQGHQPQ-UHFFFAOYSA-N 278.705 3.800 30 20 CHED C#C[C@@H](NC(=O)[C@H](CCC=C)c1ccccc1)C(C)C 799046037 BELUEZPHPIGLFU-IAGOWNOFSA-N 269.388 3.510 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 792916351 URANCDFIBGZLJC-UHFFFAOYSA-N 288.350 3.721 30 20 CHED N#C[C@H](NC(=O)[C@@H](F)CC1CCCCC1)C1CCCCC1 793608336 FPNYRSUJZDJNQS-HOTGVXAUSA-N 294.414 3.884 30 20 CHED COc1ccccc1CON=Cc1cnc(Cl)c(C)c1 799118700 QRHBKFSZFACRMS-UHFFFAOYSA-N 290.750 3.603 30 20 CHED COCCCON=Cc1cc(-c2ccccc2)cs1 795044097 KZRWGHQPOZBSGF-UHFFFAOYSA-N 275.373 3.802 30 20 CHED Cc1cc(/C=C2\CCc3ccc(O)cc3C2=O)cnc1Cl 794960516 UNCFWWNGCWAJRW-NTUHNPAUSA-N 299.757 3.962 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(C3CCC3)cc2)C1 567999839 SFNZBHKVJKESGP-UHFFFAOYSA-N 268.360 3.832 30 20 CHED C=CCC(C)(C)C(=O)OCc1cccc2cccnc12 796462226 YRQQCGAEQNBOGI-UHFFFAOYSA-N 269.344 3.880 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1ccc(SC)cc1 798666264 OVHMTSGFSYUDHO-LBPRGKRZSA-N 280.389 3.605 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1Nc1ncc(C#N)cc1F 1307141475 YNMDJWWDTBOVHO-YPMHNXCESA-N 261.344 3.719 30 20 CHED C=C[C@@H](COC)N[C@@H](CC)c1ccccc1OC(F)F 1324022882 SWGPHAFJZPNCLX-AAEUAGOBSA-N 285.334 3.530 30 20 CHED C=CCC(CC=C)c1nnc([C@@H]2COc3ccccc3O2)o1 1321059346 YYUZIDYZFPMILM-HNNXBMFYSA-N 298.342 3.818 30 20 CHED Cc1cc(CN2CCC[C@H](C(C)C)C2)ccc1C#N 1664338133 QVMVFAJOSXCIGL-KRWDZBQOSA-N 256.393 3.735 30 20 CHED COc1cccc(CSc2ccc(C#N)c(C)c2)n1 1189583360 OEEYFRDAKFHFCT-UHFFFAOYSA-N 270.357 3.563 30 20 CHED C=CCN(C(=O)c1ncc(Cl)cc1Cl)C(C)(C)C 1337491181 HAWDQUKWNCDQTP-UHFFFAOYSA-N 287.190 3.815 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 1336047319 ZRTQTNVIBNLWGI-GFCCVEGCSA-N 279.330 3.637 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)CC#Cc2ccccc2)c1 1332983726 QVEKYLBEZFWIDB-KRWDZBQOSA-N 291.394 3.922 30 20 CHED N#Cc1ccc(COc2ccc([C@H]3CCOC3)cc2)s1 1334032916 KWJUKAGAOVHUPS-ZDUSSCGKSA-N 285.368 3.703 30 20 CHED N#CC[C@H](OC(=O)[C@H]1CCc2ccccc2C1)c1ccco1 1263660542 IZEJNMBHURFRRK-RDJZCZTQSA-N 295.338 3.583 30 20 CHED CCCCC[C@@H](C)CC(=O)[C@H](C#N)c1nccn1CC 1344325676 BRAQJLIPIPXNNY-KGLIPLIRSA-N 275.396 3.686 30 20 CHED N#Cc1ccc(F)c(NC(=O)N[C@@H]2CCc3ccccc32)c1 1192995674 RFKKFMUHBZWSMY-OAHLLOKOSA-N 295.317 3.506 30 20 CHED Clc1cccc(C=NOCC[C@@H]2CCOC2)c1Cl 1345154402 IZJPEADKBXOZLF-JTQLQIEISA-N 288.174 3.771 30 20 CHED C[C@H]1COc2ccccc2[C@@H]1OC(=O)c1ccc(C#N)s1 1342081445 BEIJGVNRUZYYDH-ZUZCIYMTSA-N 299.351 3.546 30 20 CHED N#Cc1cccc(NC(=O)[C@@H](F)CC2CCCCC2)c1 1348069064 RPRXRLNYEHTQKD-HNNXBMFYSA-N 274.339 3.805 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)[C@H](C#N)c1cccc(F)n1 1516767637 OEUNFQYDVGRAIE-VXGBXAGGSA-N 276.355 3.859 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(F)ccc1OC 1520244148 NBERAUAUWDCTBN-ZDUSSCGKSA-N 292.354 3.797 30 20 CHED CCn1c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc2ccccc21 1524711608 GSNAIRBKOSZVNO-TZMCWYRMSA-N 282.343 3.510 30 20 CHED CCCCCCCC(=O)OC1CCC(C(=O)O)CC1 1605267513 XRZBBPZNLYJVFK-UHFFFAOYSA-N 270.369 3.534 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)Nc1sccc1C#N 1476828353 LLTWRVWOYLVQEB-LBPRGKRZSA-N 299.399 3.763 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(COc2ccccc2)c1 1543426128 LCBABLJKZPISKL-HNNXBMFYSA-N 294.354 3.754 30 20 CHED C[C@H]1OCC[C@H]1CSc1ccc(C#N)cc1Cl 1473005364 LPCSXCBKMBJQBD-KOLCDFICSA-N 267.781 3.729 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2ccccc2CC#N)c1 1544942043 MKHVULGUDNMTEG-UHFFFAOYSA-N 278.355 3.646 30 20 CHED CCO[C@@H]1C[C@@H](Nc2nc(C)ccc2C#N)C1(CC)CC 1559121042 LADIMJFILSHJNA-HUUCEWRRSA-N 287.407 3.657 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1C 7743369 SSKIJLXDNHRKRO-VQHVLOKHSA-N 252.313 3.905 30 20 CHED N#CC1(CN2CCC(Cc3ccc(Cl)cc3)CC2)CC1 1648064704 XVOWUPVTZPWPHG-UHFFFAOYSA-N 288.822 3.898 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(OCC#N)cc1 1645303286 KGSFFXZQXLQAFJ-AEFFLSMTSA-N 286.419 3.990 30 20 CHED CC1(C)[C@@H](CNc2cccc(C#N)n2)[C@@H]1c1ccccc1 1642775619 UWEKSOWHVIWROG-RDJZCZTQSA-N 277.371 3.805 30 20 CHED C=CCCC1(CNC(=O)C(CC)(CC)C(=O)O)CCCC1 1573328229 DHQFMBXUXOIDIW-UHFFFAOYSA-N 295.423 3.520 30 20 CHED Cc1nsc(NC[C@@H]2CCC[C@H](C)[C@H]2C)c1C#N 1642641724 XLOKIDFNJVTTMA-UMNHJUIQSA-N 263.410 3.807 30 20 CHED Cc1nc2ccccc2nc1CNc1cccc(CC#N)c1 1659235540 DUBWTHSQMBFQTB-UHFFFAOYSA-N 288.354 3.616 30 20 CHED CC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 1657519761 CWILHYVMZVQOIA-APHBMKBZSA-N 260.356 3.949 30 20 CHED C=C(Br)CNCc1ccc(OCCC)cc1C 1661350824 GFKGRLBCXPWILY-UHFFFAOYSA-N 298.224 3.782 30 20 CHED Cc1csc(NC(=O)NC2[C@H](C)CCC[C@H]2C)c1C#N 1671134655 VOXNRSQOJQDJAS-NXEZZACHSA-N 291.420 3.874 30 20 CHED COc1ccc(NC(=O)N(C)c2ccc(C)cc2)cc1C#N 1673856787 UIIYSJUUBFISJY-UHFFFAOYSA-N 295.342 3.544 30 20 CHED Cc1ccccc1/C=C/C(=O)c1cc(C(=O)O)ccc1C 1777469499 HPLVCHXHDWPPRO-MDZDMXLPSA-N 280.323 3.898 30 20 CHED COc1cc(C(=O)O)ccc1/C=C/C(=O)C1CCCCC1 1777268007 PZMQHKGFPKNNDD-MDZDMXLPSA-N 288.343 3.556 30 20 CHED N#CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 153660543 LGTIKOZKFMQYHR-AWEZNQCLSA-N 290.775 3.521 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1Cc2ccccc21)c1ccccc1 155748795 BIXHEHQKAPACBX-CRAIPNDOSA-N 291.394 3.802 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2sc(C)nc2C)c1 834903029 NWFRGXPRPGZDBK-NSHDSACASA-N 270.401 3.592 30 20 CHED N#Cc1cnnc(NC2CCC3(CCCCC3)CC2)c1 1307093279 JGSWKTVUNJSPBU-UHFFFAOYSA-N 270.380 3.653 30 20 CHED COc1ccc(Cl)cc1NCc1cc(C#N)ccc1F 20048788 LNPXYTSHZLEDDF-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@H](CNc1ccc(OCC#N)cc1)c1ccccc1 20126585 BJVUEODVOCAKEK-CQSZACIVSA-N 266.344 3.805 30 20 CHED N#Cc1ccc(CNc2ccccc2OC(F)F)s1 157472794 HCGZTAGQMLDJHC-UHFFFAOYSA-N 280.299 3.833 30 20 CHED CCCN(CC#N)C(=O)CCc1cc(Cl)cc(Cl)c1 159444606 OQIKAMJBKXPABQ-UHFFFAOYSA-N 299.201 3.688 30 20 CHED N#Cc1ccc(F)c(COc2cc(Cl)ccc2C#N)c1 161667404 GJULKWDUOWKIBY-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CC[C@@H](CC#N)NCc1nc(-c2ccccc2)cs1 61681042 ZCZISQWHAQUQTN-ZDUSSCGKSA-N 271.389 3.592 30 20 CHED N#Cc1cccnc1N(Cc1ccccc1)CC1CCC1 301112306 TUGWNUAUFBFDTH-UHFFFAOYSA-N 277.371 3.760 30 20 CHED C=CCCCCCCNC[C@H](O)c1ccccc1F 312110694 MHAUSYYIEZGGQZ-INIZCTEOSA-N 265.372 3.585 30 20 CHED CCOC[C@H]1CCCCN1CCCCC(C)(C)C#N 313468141 JKPMBBPWLPLDNF-OAHLLOKOSA-N 266.429 3.597 30 20 CHED COCC1CCC(Nc2ccc(Cl)cc2C#N)CC1 413529082 GBKWMXIEQLUHGF-UHFFFAOYSA-N 278.783 3.829 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cc1F)C1CCC1 324951565 HBURTAAQHURURW-MRXNPFEDSA-N 260.356 3.756 30 20 CHED C[C@H]1CC(NCc2cc(C#N)ccc2F)C[C@H](C)C1 84975103 SZUAJHYZNMPZDE-VXGBXAGGSA-N 260.356 3.612 30 20 CHED Cc1ccc(CN(C)Cc2ccc(CC#N)cc2)s1 343561879 XDTPXFGBVJUPFD-UHFFFAOYSA-N 270.401 3.755 30 20 CHED CCCCCCCN[C@@H]1CCO[C@@H](C(F)(F)F)C1 705927235 NCXLHQVOLWUJJF-VXGBXAGGSA-N 267.335 3.656 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(C#N)c(C)c1 486801687 LLOCCEFAOVRGAU-UHFFFAOYSA-N 264.372 3.889 30 20 CHED C=CCCSCCNCc1cc2ccccc2o1 594960187 MUWSWFYBUCUKJK-UHFFFAOYSA-N 261.390 3.832 30 20 CHED C#CCN(Cc1ccccc1)Cc1csc(CCC)n1 796641261 OEBWSIVBIQCOTI-UHFFFAOYSA-N 284.428 3.731 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(C)ccc2O)cc1 8073550 XFUUQYXJWJACCJ-UHFFFAOYSA-N 283.327 3.518 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2cc(C)oc2C)cc1 113330322 LNUGOIBYTJHUSN-AWEZNQCLSA-N 283.371 3.759 30 20 CHED C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 107593725 OFKXTSNZMQNPII-XWIAVFTESA-N 292.382 3.704 30 20 CHED Cc1ccc(N(C)C(=O)c2cc(C#N)cs2)cc1Cl 177067214 RYQPBECRKORKIJ-UHFFFAOYSA-N 290.775 3.858 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1CCCCCC1 103440091 HSIBXHZHQGHZIA-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C#CCCCNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 172932086 PUMSDIFAXLFMTF-GFCCVEGCSA-N 297.320 3.729 30 20 CHED CC[C@@H](NCC#Cc1ccccc1)c1cccs1 51814332 ZQDIFECOZUYFSF-OAHLLOKOSA-N 255.386 3.841 30 20 CHED C=C(C)CN(CC)C(=O)NCC1(CCOCC)CCCC1 119141320 KFSCPOWGIYEFCV-UHFFFAOYSA-N 296.455 3.581 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 116937014 FLDOSEJZDCLTDZ-GHMZBOCLSA-N 298.333 3.613 30 20 CHED C[C@@H](NC(=O)CCc1ccccc1F)c1ccc(C#N)cc1 26117352 PWXNHJRAGYCPNN-CYBMUJFWSA-N 296.345 3.507 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 176865613 CZVMYXZKAOZKDG-YQQAZPJKSA-N 286.419 3.786 30 20 CHED Cc1ncn(CC#Cc2ccc(C(F)(F)F)cc2)c1C 177278757 JYSHNSVHLQYULM-UHFFFAOYSA-N 278.277 3.570 30 20 CHED COc1ccc([C@@H]2CCN(c3ccc(F)cc3C#N)C2)cc1 301396858 GQPHYBWQLPXVLQ-CQSZACIVSA-N 296.345 3.700 30 20 CHED N#Cc1cccc(CNCc2ccc(Cl)cc2)c1 20209630 HCDIHXBLNLWNEA-UHFFFAOYSA-N 256.736 3.501 30 20 CHED CCC(C#N)(CC)C(=O)NCc1ccc(Cl)c(Cl)c1 600101261 AJFQPSYOJREELQ-UHFFFAOYSA-N 299.201 3.940 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(-n2cccn2)c(F)c1 176984728 IPUBETIGDFLYSN-UHFFFAOYSA-N 299.349 3.718 30 20 CHED C#CCCCCC(=O)N(CC)c1cc(C)ccc1C 119665553 NUITUKFPLIWFBU-UHFFFAOYSA-N 257.377 3.850 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)C(C)C 175786369 ASCIDWMFPXTQMU-GFCCVEGCSA-N 273.380 3.611 30 20 CHED N#Cc1ccccc1CN1CCC[C@@H](Nc2ccccc2)C1 178045760 UVKZSVMIAMNSAZ-LJQANCHMSA-N 291.398 3.635 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N(C)C[C@@H](C)C#N)oc12 63746613 MYAILFVMFDBCEF-JTQLQIEISA-N 284.359 3.590 30 20 CHED CCC[C@H](C)CC(=O)Nc1sc(CC)cc1C#N 122885907 GIWRWNZSJLQDGK-JTQLQIEISA-N 264.394 3.947 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C=C(CC)CC 177666244 XNPUEQUQYLXOTA-UHFFFAOYSA-N 272.348 3.642 30 20 CHED C=CCOc1ccc(OCc2ccn(C(C)C)n2)cc1 174235288 RRTAMHSLGFTLKZ-UHFFFAOYSA-N 272.348 3.608 30 20 CHED N#Cc1c(F)cccc1NCCCNc1cccc(F)c1 302089488 ANSOGWLHRLNVDY-UHFFFAOYSA-N 287.313 3.751 30 20 CHED C[C@@H]1CN(c2cccc(F)c2C#N)[C@H]2CCCC[C@H]12 302177105 NCDKAICTPSMELO-JMSVASOKSA-N 258.340 3.712 30 20 CHED N#Cc1cc(CNc2ccc(OC(F)F)cc2)ccc1F 123869021 QAVIQOHFMNKGPG-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C[C@H](NC(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 78779469 YKSNYKJQPFHVEA-LBPRGKRZSA-N 298.773 3.897 30 20 CHED C=CCC[C@H](NCc1noc(C2CC2)n1)c1ccccc1 180035532 GGXOTUAAJOEBDD-HNNXBMFYSA-N 283.375 3.744 30 20 CHED C#CCOc1ccc(NC(=O)[C@@H](C)c2cccs2)cc1 120159428 QDZYCYKGUONQBV-LBPRGKRZSA-N 285.368 3.502 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1)c1ccc(O)cc1O 216312317 AQASVHPTJNWRJB-BAQGIRSFSA-N 274.703 3.647 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 181037998 IRSDNAQFQIFSPK-NSHDSACASA-N 295.452 3.719 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccnc1 181376386 UTMXKFOAKRYXFG-KGLIPLIRSA-N 275.396 3.529 30 20 CHED C=CCNc1ncc(C(=O)N(CCCC)CCCC)s1 126461710 CVHAUESIPIZSKW-UHFFFAOYSA-N 295.452 3.783 30 20 CHED Cc1cccc(CNc2ccccc2O[C@H](C)C#N)c1O 180834829 BDVOZXBKLDVPST-CYBMUJFWSA-N 282.343 3.604 30 20 CHED C=CCCCC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 181120848 KIONYULIOAIMLA-HOCLYGCPSA-N 293.794 3.643 30 20 CHED CCOCc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 185745434 NAFKHZSWWJQORF-HIFRSBDPSA-N 258.365 3.717 30 20 CHED COc1ccc(C#N)cc1CSCCOCC1CCC1 419638472 GXLLJJHEHPSZNL-UHFFFAOYSA-N 291.416 3.617 30 20 CHED Cc1cc(Cl)ccc1C(=O)N1CCCC(C)(C)[C@H]1C#N 434029468 CGXYYOJSYXNUNH-CQSZACIVSA-N 290.794 3.803 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 180277703 COUAJUKRASMMDH-WMLDXEAASA-N 287.378 3.929 30 20 CHED C=C(C)CCSCC(=O)NCc1ccc(Cl)s1 507851091 NGPLOJKUWZVWKZ-UHFFFAOYSA-N 289.853 3.717 30 20 CHED C[C@H]1CCC[C@H](C(=O)N(CCC#N)CC(C)(C)C)C1 155266602 WILXNOPQFOOOQG-KBPBESRZSA-N 264.413 3.601 30 20 CHED C=CCN(CC=C)Cc1ccc(OC)cc1Cl 505867461 GWQMFHGCIPQKAE-UHFFFAOYSA-N 251.757 3.523 30 20 CHED CCC[C@H](C#N)N(C)C(=O)Cc1cccc(C(C)C)c1 410833335 GLKNCDSPJSDFSR-MRXNPFEDSA-N 272.392 3.503 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(c1ccccc1)C1CCCC1 410436045 AOOVVXBXTZEREL-SJORKVTESA-N 285.387 3.553 30 20 CHED Cc1cc2ncn(Cc3cc(F)ccc3C#N)c2cc1C 122044680 DFVRTOSAEKMAAN-UHFFFAOYSA-N 279.318 3.712 30 20 CHED C=CCC1(C(=O)NC[C@H](C)Oc2ccc(C)cc2)CCC1 188286634 RIHYJSFIIFVYOW-HNNXBMFYSA-N 287.403 3.625 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cc(Cl)c(OC)cc1OC 180946842 ZXNCPHMAJNGFFR-QWRGUYRKSA-N 283.799 3.972 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)[C@H](C)CC 183258601 WEACZRZZJCIRFP-HUUCEWRRSA-N 289.419 3.892 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 78641901 NRPCNNFLXXEEIE-QGZVFWFLSA-N 296.370 3.557 30 20 CHED CS[C@H](C)CCC(=O)Nc1ccc(Cl)cc1CC#N 410972683 USJYCYPZSVGCFA-SNVBAGLBSA-N 296.823 3.876 30 20 CHED CCC(CC)[C@H]1C[C@@H](Nc2nc(C)ccc2C#N)CCO1 182971867 ZWTGIHWLSWZXRG-JKSUJKDBSA-N 287.407 3.657 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(O)cc1F)c1ccccc1 124349957 MJLDINUBCQFWMV-LBPRGKRZSA-N 285.318 3.830 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2C[C@H]2c2sccc2C)c1 120290490 HABPMYHMUPGSNF-CVEARBPZSA-N 295.407 3.804 30 20 CHED N#CCCCCN1CCO[C@H](c2ccc(F)cc2Cl)C1 187853591 YOASGWHLNNQSSD-HNNXBMFYSA-N 296.773 3.546 30 20 CHED C[C@@H](C#N)OCCNc1ccc(Oc2ccccc2)cc1 314200066 MDJCILYBHHJFDY-AWEZNQCLSA-N 282.343 3.819 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H](Oc2ccccc2)C1 412708497 KLNKUKGLVOFEDI-SFHVURJKSA-N 299.414 3.825 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1C(C)(C)C 77181061 KFCIJIVNEOQZBW-UHFFFAOYSA-N 266.772 3.858 30 20 CHED C=C[C@H](C)N[C@H](CC)CSc1ccccc1[N+](=O)[O-] 504912573 XUOXWKKMSHSJDX-NWDGAFQWSA-N 280.393 3.630 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 183964025 QHKDCLUULVOUNK-OLZOCXBDSA-N 298.308 3.531 30 20 CHED C[C@@H](C1CC1)N(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CC1 74917606 ZYXJJXMRYZBTDU-OLZOCXBDSA-N 297.402 3.592 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(CCC)cc1 218724936 VSDNCNRKVFNVLR-OAHLLOKOSA-N 288.435 3.864 30 20 CHED CC(C)[C@H](C)Sc1ccc(C#N)cc1[N+](=O)[O-] 78588927 VTAKKMNRVCFWEF-VIFPVBQESA-N 250.323 3.603 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@@H](CC)CC(F)(F)F 413899580 DUFAIATWNPGLFR-NSHDSACASA-N 280.334 3.573 30 20 CHED C=CCN(CC=C)C(=O)CCC(=O)c1ccc(Cl)cc1 47465454 VBMLRDJQQQJDHV-UHFFFAOYSA-N 291.778 3.504 30 20 CHED C[C@H](OC(=O)c1cc2ccccc2s1)C(C)(C)C#N 131732141 QFCREVWIUBRPEK-JTQLQIEISA-N 273.357 3.996 30 20 CHED N#CCCSCc1csc(Cc2ccccc2)n1 413008864 ALVOMWWLXXNIHV-UHFFFAOYSA-N 274.414 3.881 30 20 CHED Cc1ncc(/C(O)=N/CC2CCCCC2)c(C2CC2)n1 329175570 BODPOCHRKCKOPC-UHFFFAOYSA-N 273.380 3.547 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3ncc(C#N)cc3F)C2)cc1 413259325 CXQBODYNZRQRFC-CJNGLKHVSA-N 295.361 3.783 30 20 CHED C=CCCCCCN(C)c1nnc(C(C)C)n1CC=C 508937046 BEOZBKFZJOZTLT-UHFFFAOYSA-N 276.428 3.770 30 20 CHED C=C(C)[C@@H](NCC[C@H]1CCCO1)c1ccc(F)c(F)c1 190009713 QJBMQINNSIRDAU-CZUORRHYSA-N 281.346 3.741 30 20 CHED C#CCCCC(=O)NCc1ccc(OC2CCCCC2)cc1 192101238 FPKANZQFNOWHGO-UHFFFAOYSA-N 299.414 3.818 30 20 CHED C#CCCCC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 192272424 RPFIOTLULKNEBH-ROUUACIJSA-N 283.415 3.708 30 20 CHED C#CCN(C)C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 191125880 AEHDSBUXVDOSJG-UHFFFAOYSA-N 281.355 3.775 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(OC)c(F)c2)o1 83982153 NYZYAFQGEDSQFQ-QPJJXVBHSA-N 274.291 3.886 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cccnc2OC2CCCC2)C1 192664082 UAKJZHBUWHWNDX-GOEBONIOSA-N 299.418 3.575 30 20 CHED C[C@H](N[C@H](C)CCc1ccc(O)cc1)c1ccc(C#N)cc1 192755410 ZAOVDYXCLYTFID-CABCVRRESA-N 294.398 3.936 30 20 CHED C[C@H](NC(=O)C(C)(C)C#N)c1cccc2ccccc12 42091884 RXQUSINAYIUUPR-LBPRGKRZSA-N 266.344 3.567 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1cc(F)ccc1F 514961968 IJRNEQMJRNAYSW-NSHDSACASA-N 297.370 3.646 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc(-c3cnco3)c2)CCC1=O 328938337 GQZDRAZOULBGAZ-WCQYABFASA-N 298.342 3.935 30 20 CHED Cc1cc(C)c(CN2CCC[C@](C)(C#N)C2)c(C)c1 612163044 NLAKXFOIYQCFMN-QGZVFWFLSA-N 256.393 3.738 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(c2ccccc2)CC1 190038181 HTWCJQFWQPDGNO-SFHVURJKSA-N 271.404 3.995 30 20 CHED OC1=NC[C@@H](/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)CC1 329346259 RICSBBIFQYXOHO-IHRRRGAJSA-N 278.396 3.526 30 20 CHED COc1cc(/C=C/c2ccc(C#N)cn2)ccc1SC 195194397 BZERUEPCLVZUTA-ZZXKWVIFSA-N 282.368 3.854 30 20 CHED OC(=Nc1nnc2ccccn12)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 328797735 WBLJSKHNKJERGT-MELADBBJSA-N 298.390 3.924 30 20 CHED C=CCN(C)Cc1ccc(-n2cnc3ccccc32)cc1 428378231 HZGIVMABPMWDJC-UHFFFAOYSA-N 277.371 3.643 30 20 CHED CCCCCCCCNc1ncccc1C(=O)O 161038739 NCASOGPBEKFEQN-UHFFFAOYSA-N 250.342 3.552 30 20 CHED Cc1ccc2c(c1)CC[C@H](C(O)=Nc1ccc(C)nc1C)O2 330017982 SBPYGEYUCXQAHR-QGZVFWFLSA-N 296.370 3.989 30 20 CHED COc1ccc(COc2cccc(C#N)c2)cc1Cl 513300634 MIDQFFPGJUFTBT-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CCc1c(C)sc(NC(=O)c2cc(C)sn2)c1C#N 336150419 XIOUOWUPHSGVPN-UHFFFAOYSA-N 291.401 3.508 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1coc(-c2ccc(C)cc2)n1 424718659 XPLHRWSVQMKPLS-UHFFFAOYSA-N 298.386 3.869 30 20 CHED N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1-c1ccoc1 336625016 QHDYOGNTXGPLFN-MEDUHNTESA-N 298.317 3.508 30 20 CHED C=CCCCCCSCc1nc(C2CC2)no1 192535953 JIWHONFTHBISEZ-UHFFFAOYSA-N 252.383 3.927 30 20 CHED C=CCC(C)(C)CNCc1ccc(Br)o1 381882272 OGWZAAZHCDSXKT-UHFFFAOYSA-N 272.186 3.734 30 20 CHED C=C[C@H]1CCCCN1Cc1ncc(C(C)C)s1 426557268 FBGJZEVQWRMAOF-LBPRGKRZSA-N 250.411 3.807 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2cc(C#N)ccc2F)C1 336023616 RMNUJUHZCWVEIL-SCLBCKFNSA-N 295.361 3.675 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CCC(F)(F)C2)s1 336568234 LLVKECVZSVFHNJ-MRVPVSSYSA-N 284.331 3.556 30 20 CHED C[C@@H]1CC=CC[C@H]1COC(=O)c1cccc(CC#N)c1 97364334 VWIZWIIEHIDHBB-CJNGLKHVSA-N 269.344 3.512 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)s1 335683340 VAZOUUYBLVXPHO-WFASDCNBSA-N 296.395 3.638 30 20 CHED CCOc1cccc(NCc2cc(C#N)cs2)c1 93687381 RBFNFEAOFCIZQM-UHFFFAOYSA-N 258.346 3.631 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@]1(C)C[C@H]1F 425488798 LGSYMRYSNYCTLJ-YVLXSGLVSA-N 292.379 3.625 30 20 CHED CCc1ccsc1C(=O)Nc1ccccc1CC#N 339187426 BIDYPKZINSVCSA-UHFFFAOYSA-N 270.357 3.629 30 20 CHED Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c(C)c1 90163190 UJBGYQKJVSLKHC-OAHLLOKOSA-N 292.382 3.975 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)NCC1(CC#N)CC1 430073793 YPTSHENWWUTYQZ-GFCCVEGCSA-N 262.784 3.554 30 20 CHED N#Cc1cc[nH]c(=NC[C@@H](c2ccccc2)C2CC2)c1Cl 431487373 XEGUBAUPBKLIHI-HNNXBMFYSA-N 297.789 3.634 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cccc(Cl)c1 435671375 JHXUTBHBIJOIMK-XPKDYRNWSA-N 279.811 3.972 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC(C)(C)C[C@@H]1C 436296904 TYECRAGCPYIHLK-JJXSEGSLSA-N 265.441 3.772 30 20 CHED C=CCOc1ccc(CNC2Cc3ccccc3C2)cc1 231032137 GVWJJVCQXKYQMS-UHFFFAOYSA-N 279.383 3.508 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(Cl)c(Cl)c1 339170928 JLSFXOIWKBZDES-SNVBAGLBSA-N 285.174 3.758 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1c(F)cccc1F 432113877 ABFQRGOCLWPATE-LLVKDONJSA-N 296.361 3.927 30 20 CHED C[C@@H]1CCC[C@@H](N(C)/C(O)=N/CCc2cccc(C#N)c2)C1 330991802 UBXGSGNRMRINAK-RHSMWYFYSA-N 299.418 3.525 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(O)c(OC)c2)cc1 97993417 DVLWZQWKCPDAMB-WMZJFQQLSA-N 298.338 3.696 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCCC(F)(F)F 436310665 SADLQVFAWVNHPK-AGIUHOORSA-N 279.346 3.678 30 20 CHED CCc1cnc(CN[C@H](CCC#N)c2ccccc2)s1 344313297 YLJCMLOPNHCTQB-OAHLLOKOSA-N 285.416 3.840 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 437579540 PUGPBYHCBJKLTQ-IAGOWNOFSA-N 291.435 3.783 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccccc2)s1 430588245 CLCFTOURZHPLAV-LBPRGKRZSA-N 284.384 3.931 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 524103112 NDYAPYVHAZTLFN-QAPCUYQASA-N 298.430 3.918 30 20 CHED COc1ccc(Cn2nc(C#N)c3ccccc32)cc1Cl 432457195 PFOIRBCTVCCDIE-UHFFFAOYSA-N 297.745 3.618 30 20 CHED C=CCCCCNC(=O)c1ccc(C(C)C)nc1C 347017389 CRGGMEKVJJXSLL-UHFFFAOYSA-N 260.381 3.600 30 20 CHED C=CC[C@H]1N(Cc2cncc(F)c2)CCCC1(C)C 347132594 PURHTDQIQIMFEC-OAHLLOKOSA-N 262.372 3.787 30 20 CHED COc1cc(CCNc2ccc(C#N)cc2F)ccc1C 525459769 UVEONCCXUNZNDS-UHFFFAOYSA-N 284.334 3.669 30 20 CHED Cc1ccc(C#N)c(NC2CC(c3cccc(F)c3)C2)n1 343069154 PFUMGECJZBJCOV-UHFFFAOYSA-N 281.334 3.759 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1 346856531 LFXRKPRSCXPRID-UHFFFAOYSA-N 292.382 3.857 30 20 CHED C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1ccccc1 433103768 LVZOPDOJSLKNKD-MAUKXSAKSA-N 292.382 3.636 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C 602304198 WIHVTFJELPJJKQ-RDTXWAMCSA-N 286.419 3.618 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)c1ccnc(C#N)c1 341723881 UECWKXFCKGYDFN-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1CC1(CC#N)CC1 602777290 CZGAJLAXAQIENT-HOCLYGCPSA-N 254.377 3.558 30 20 CHED C=CCN(CCC1CCOCC1)Cc1cccs1 432922813 BVJGPBRGFAIVRD-UHFFFAOYSA-N 265.422 3.553 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](C)c2cc(C)oc2C)cc1 342785049 XQHBWFWXBKUFLY-ZDUSSCGKSA-N 299.370 3.952 30 20 CHED Clc1ccc(C=NOCc2cccc(Cl)n2)cc1 255333638 KLJNZJWUXCIWRT-UHFFFAOYSA-N 281.142 3.939 30 20 CHED N#Cc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)s1 255543513 HUPRRWFRRCRFGV-POHAHGRESA-N 269.300 3.581 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#N)cc1)C2 255549297 BFJVXAWXLAWIGF-CXUHLZMHSA-N 259.308 3.689 30 20 CHED Cc1cccc(C(C)(C)CNC[C@@H](C)CCC#N)c1 602529221 AANQPBDCCSQJKW-HNNXBMFYSA-N 258.409 3.802 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cc(Cl)sc1Cl 539298245 QMMQVYAUFOLEST-BDAKNGLRSA-N 294.247 3.890 30 20 CHED C[C@@H](CCC#N)CN1CCc2cc(Cl)ccc2C1 602636871 YOLQXHHNHUAEDX-LBPRGKRZSA-N 262.784 3.638 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)Nc1cccc(C#N)n1 609891494 UQGVBILOZVORJJ-CYBMUJFWSA-N 281.359 3.914 30 20 CHED O=C1/C(=C\c2ccsc2)COc2c(F)cccc21 254999062 LBTOCGDYGXCDGS-POHAHGRESA-N 260.289 3.546 30 20 CHED C[C@H]1CC[C@@H](N(C)C(=O)c2cccc(SCC#N)c2)C1 346998935 XPMBSJYQZLVEFD-GXTWGEPZSA-N 288.416 3.563 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](c1ccco1)N(C)C 449065402 UFMIQWCBEJEGNF-CABCVRRESA-N 264.413 3.607 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C)c2cn[nH]c12 343941151 JKDPQLRTISBPBH-UHFFFAOYSA-N 269.348 3.578 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1ccccc1C1CC1 526960870 JQEZLQZYSBAPGJ-IBGZPJMESA-N 275.417 3.753 30 20 CHED CC(C)=CCSCCCC1(C#N)CCOCC1 347783112 YDLFZDQQLQNJBE-UHFFFAOYSA-N 253.411 3.786 30 20 CHED CCCn1ncnc1CSc1ccc(Cl)cc1C#N 601913058 OUHDHUZGWMGSDE-UHFFFAOYSA-N 292.795 3.505 30 20 CHED 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396971514 CKYRYMAQZFGDDB-JTQLQIEISA-N 297.324 3.832 30 20 CHED CCCCc1noc([C@@H](C)Sc2ccc(C#N)cn2)n1 298321268 UJQBZHKUYUQRJX-SNVBAGLBSA-N 288.376 3.532 30 20 CHED C=CCCC(=O)Nc1cc(F)cc(NC(=O)CCC=C)c1 291428920 IZNVNQKVODLEEA-UHFFFAOYSA-N 290.338 3.635 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc2cc(C)ccc2s1 565992933 NWKIHBGGIDJMJG-OAHLLOKOSA-N 272.373 3.632 30 20 CHED C#C[C@H](NC(=O)N[C@H](C)CCC)c1ccc(Cl)cc1F 804871490 JUYLKUSXYKEWTF-YGRLFVJLSA-N 296.773 3.641 30 20 CHED C=CCOC(=O)c1ccccc1SCc1ccco1 807630148 DDZCMMOIKXMTQQ-UHFFFAOYSA-N 274.341 3.915 30 20 CHED N#Cc1sc(NCCc2ccc(F)cc2F)nc1Cl 804449863 LTIYDYXJLNDMFX-UHFFFAOYSA-N 299.733 3.601 30 20 CHED N#C[C@]1(C(=O)Nc2ccc(F)cc2Cl)CC12CCCC2 297904553 QIJOGJHAXMXVOR-HNNXBMFYSA-N 292.741 3.892 30 20 CHED C=CCCCSCC(=O)N(C)[C@H]1CCCC[C@@H]1C 476128226 BTBZJPVUMWRPPC-KBPBESRZSA-N 269.454 3.723 30 20 CHED C=C(C)CNC(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 470554392 AFGTWPHWTQBWQK-UHFFFAOYSA-N 290.363 3.672 30 20 CHED CC(C)(C)[C@@H](NC[C@@H](C#N)CCC#N)c1cccc(F)c1 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C/C(=C/C(=O)N[C@@]1(C#N)CC1(C)C)c1cccc(Cl)c1 813301088 XMRQKTWLYQRJPH-MRDWYFFCSA-N 288.778 3.552 30 20 CHED N#CCC[C@H](NC(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1ccccc1 571032220 BWHUVYGCPOWJOY-QAETUUGQSA-N 282.387 3.584 30 20 CHED Fc1cc(F)c(NN=Cc2ccc(Cl)o2)cc1F 814850085 XIYKZELWEXJIGL-UHFFFAOYSA-N 274.629 3.796 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 489076238 PQHYNUGOMZAIOV-KBMXLJTQSA-N 298.430 3.984 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H](C(C)(C)C)CC1 815633923 ZODQYGLWBLJTSE-LBPRGKRZSA-N 273.367 3.873 30 20 CHED C#Cc1cccc(NC(=O)CCc2ccc(C)s2)c1 810013864 PSZQHGYVUDBOKA-UHFFFAOYSA-N 269.369 3.609 30 20 CHED C=CCC(F)(F)C(=O)NCC1CCC(C)(C)CC1 815879731 ILLDJWDLFJKQIH-UHFFFAOYSA-N 259.340 3.530 30 20 CHED C[C@@H](OC(=O)C1(F)CCCCC1)c1ccc(C#N)cc1 810606388 LMPPIWUONQGQDK-GFCCVEGCSA-N 275.323 3.835 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@@H](C)C1)c1ccccc1 489735988 AFIYCSWFKKRFPT-NVXWUHKLSA-N 271.404 3.995 30 20 CHED C=CCCc1ccccc1NC(=O)NCC(C)(F)F 578609490 XHPQJAQMKVKJRX-UHFFFAOYSA-N 268.307 3.582 30 20 CHED N#CCc1ccc(NC(=O)C2(C(F)F)CCCC2)cc1 579028599 DTGVLAVOTNMZQQ-UHFFFAOYSA-N 278.302 3.517 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@@H]1C=CCCC1 488685901 GXELQOLUYWMVQA-GOSISDBHSA-N 283.415 3.990 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc2c1CCCC2 481592664 AMBZITZSEHIDFX-UHFFFAOYSA-N 258.365 3.605 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1)C(C)C 729057131 QZSCJLJRYUGTDR-HUUCEWRRSA-N 266.429 3.807 30 20 CHED CC(C)C[C@H](C)CN(C#N)c1ccc(F)c(C#N)c1 499974628 PSMFOYFZSMZIAJ-LBPRGKRZSA-N 259.328 3.667 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H](C)c2ccccc2F)c1 728481372 ATMDKFHZFYSWJR-CQSZACIVSA-N 295.357 3.964 30 20 CHED CCC[C@@H](/N=C/c1cccc(OC)c1O)c1ccccn1 729150895 ZNOXONGWWFECLE-ONDHQXCVSA-N 284.359 3.756 30 20 CHED C#CCCOc1ccc(C(=O)N(C)C2CCCCCC2)cc1 822372099 RTPPVHSMAKUDEC-UHFFFAOYSA-N 299.414 3.884 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cccnc1-c1csc(C)c1 491787697 WJJWBQOAZLUXSC-NSHDSACASA-N 299.399 3.604 30 20 CHED O=C(C#Cc1cccs1)N1CCC[C@H]1c1cccs1 823824832 ACNCUEUMCMKGCG-ZDUSSCGKSA-N 287.409 3.525 30 20 CHED C[C@]1(CCNCc2cccc(C#N)c2)CC1(Cl)Cl 824963695 DUSFGRFKJHMJNT-ZDUSSCGKSA-N 283.202 3.622 30 20 CHED C#C[C@H](NCc1ccnn1C(C)C)c1ccc(Cl)cc1 491427212 JLCILPHKUOANHS-INIZCTEOSA-N 287.794 3.582 30 20 CHED C[C@@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 727640448 ZUIYAMARRIQIGT-KNPMLCFXSA-N 269.344 3.599 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C#CC(C)C)o1 829246580 WFPJFHVHHBQYGO-DZGCQCFKSA-N 273.376 3.547 30 20 CHED Nc1ccc(/C=C\C(=O)c2cc(Cl)sc2Cl)cn1 821039961 UNAKHFGAZOJJMC-IWQZZHSRSA-N 299.182 3.928 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NC1CCC1 730584496 ZYBKQPFXZSVZFE-ZDUSSCGKSA-N 254.418 3.835 30 20 CHED N#Cc1csc(/C=C\c2cnc(C3CCC3)s2)n1 901543295 GRAUMQOEMRJEKL-PLNGDYQASA-N 273.386 3.909 30 20 CHED C=C(C)CN1CCC(N[C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 491038351 PKJDUEDCASQFML-JXFKEZNVSA-N 298.474 3.858 30 20 CHED CCn1cc(/C=C\C(=O)c2ccccc2SC)cn1 588618517 XHXYQXXWJKLEII-HJWRWDBZSA-N 272.373 3.521 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCCc3occc32)C1 660316265 XPSCEIXYGRBYGC-DZGCQCFKSA-N 288.391 3.655 30 20 CHED CC[C@H](NCC1(C#N)CCC1)c1cc(Cl)ccc1O 903032538 JLXNXMOPZLOOQU-ZDUSSCGKSA-N 278.783 3.780 30 20 CHED C#Cc1ccc([C@@H](OC(=O)[C@H](C)CC)C(F)(F)F)cc1 836081102 QCLKWKDYTLKLGK-ZWNOBZJWSA-N 284.277 3.861 30 20 CHED Cc1cc(Cl)nc(C(=O)OCCCCC(C)(C)C#N)c1 909689788 PMKOIPHEYBSIFA-UHFFFAOYSA-N 294.782 3.920 30 20 CHED N#C[C@@H](NC(=O)CCCC1CC1)c1ccc(Cl)cc1 589789040 CMWZEHIXYLMVKJ-CQSZACIVSA-N 276.767 3.601 30 20 CHED C=CC[C@@H](NC(=O)/C=C\c1ccccc1)c1ccncc1 734234612 RTYUYYIFSREBOI-DOOKAGJSSA-N 278.355 3.528 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1ccccc1OCC#N 736033282 KSBOLTMMSUJUEG-IPYPFGDCSA-N 287.359 3.570 30 20 CHED C[C@@H]1/C(=C\c2ccc(C3CC3)cc2)C(=O)c2nccn21 901565175 KPHLYAIBHROQDV-HGLKBHAMSA-N 264.328 3.601 30 20 CHED C#CCC[C@@H](C)OC(=O)CCc1c[nH]c2cc(C)ccc12 839036922 JLCZLSNMHHWSJR-CQSZACIVSA-N 283.371 3.754 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCc2ccc(F)cc2F)C1 839054856 MCGOXYDEHKMNJX-FZMZJTMJSA-N 293.313 3.523 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(OC3CCC3)cc2)C1 839052546 IVHBRHGQQJIQPE-DYVFJYSZSA-N 299.370 3.857 30 20 CHED CCOc1ccc(/C=N/[C@H](C)c2c(C)noc2C)c(O)c1 733749926 FZIDBJPTBLMXIF-IYPWXLATSA-N 288.347 3.576 30 20 CHED C[C@H]1CC(/N=C/c2cc([N+](=O)[O-])ccc2O)C[C@H](C)C1 739426360 KMNIKXLAHOSRIV-OOIWVLDFSA-N 276.336 3.544 30 20 CHED C=CCN(C(=O)c1cc(F)cc2ccoc12)C(C)(C)C 906034489 MVHFPZNPDUGZJQ-UHFFFAOYSA-N 275.323 3.999 30 20 CHED C=CCCCCCN(C)C[C@](C)(O)c1ccccc1 739932017 VVHHJXLBXKMJJN-KRWDZBQOSA-N 261.409 3.572 30 20 CHED C#CCCCCCCOC(=O)[C@@H]1CCCC(F)(F)C1 835714614 MACJQDMPPOWUAW-CYBMUJFWSA-N 272.335 3.939 30 20 CHED N#Cc1ccc(OCCCNc2ccc(F)cc2)cc1 917803138 PNZILMAWCQFVTR-UHFFFAOYSA-N 270.307 3.578 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1C[C@@H](C)n2ccnc21 836374292 OEFNLYBBIQZYQK-ZIAGYGMSSA-N 292.427 3.549 30 20 CHED C=CC[C@@H](NC(=O)C=C1CCC(C)CC1)c1ccncc1 734456100 SSJSEAKJCQNMHG-FBMWCMRBSA-N 284.403 3.952 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1ccccc1SC 835399273 PIFTUYDDSSQGSZ-YUTCNCBUSA-N 292.400 3.604 30 20 CHED FC(F)Oc1ccc(C=NNc2ccccc2)cc1 916245870 HITRZXUKMHDEMM-UHFFFAOYSA-N 262.259 3.734 30 20 CHED C=CCCCC(=O)OCc1cccc(C(=O)OC)c1Cl 837559459 OVECCDGSECFPSQ-UHFFFAOYSA-N 296.750 3.526 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C(CCC)CCC 839327813 VMOXFSUUIDZZLG-UHFFFAOYSA-N 277.330 3.617 30 20 CHED Cc1cccc2ncc(/C=C\C(=O)c3ccc(F)cc3F)n12 748997195 AQKFDMILKRIQLM-VURMDHGXSA-N 298.292 3.817 30 20 CHED C=CCCc1ccccc1NCc1onc(C)c1[N+](=O)[O-] 596031917 GOEDFPQIJXSEJB-UHFFFAOYSA-N 287.319 3.622 30 20 CHED CCCCCCCC(=O)NCCCN1CCCC[C@H]1C 915265152 AJBDQEMQRZIPFZ-MRXNPFEDSA-N 282.472 3.728 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@H]2CCCCO2)C1 595788315 IXJUEDXOFNKTMB-AYOQOUSVSA-N 298.430 3.900 30 20 CHED C=C(CNc1nccc(C(F)(F)F)n1)c1ccccc1 673461802 XJCGCARSJGXWDM-UHFFFAOYSA-N 279.265 3.621 30 20 CHED Cc1cc([C@@H](C)NCCc2ccc(C#N)cc2)cs1 595055506 GCOQPQKLVPZBAI-CYBMUJFWSA-N 270.401 3.822 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccccc1O 916345571 GXRQEDMYMHVVRN-UHFFFAOYSA-N 254.333 3.845 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 593649713 BQZYLHAGHACCBR-VIFPVBQESA-N 270.254 3.502 30 20 CHED CC(=NNCc1ccccc1)c1c(C)nn(C(C)C)c1C 746485303 IPEFQEMJUBROMC-UHFFFAOYSA-N 284.407 3.595 30 20 CHED N#C[C@H](c1ccccc1)N1CCC[C@H](Nc2ccccc2)C1 595383894 PZFMBNNLEHRDFH-RBUKOAKNSA-N 291.398 3.828 30 20 CHED Cc1ccc(CC(=NNc2nc(C)cc(C)n2)C2CC2)cc1 741838471 MCOJDDKMIFMYBL-UHFFFAOYSA-N 294.402 3.822 30 20 CHED CCCC(C)(C)C(=O)N[C@H](C#N)c1ccc(CC)cc1 593157999 RBADVERYIFDCPV-OAHLLOKOSA-N 272.392 3.756 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc2c(C)ccc(Cl)c2s1 593704902 ZPKFOSQBSQYOMK-QMMMGPOBSA-N 293.779 3.746 30 20 CHED C=CCOC(=O)c1sc2ccc(OC)cc2c1C 744042103 HVBRPEDVYGKKIX-UHFFFAOYSA-N 262.330 3.561 30 20 CHED C=CCC1(C(=O)OCCc2ccncc2C)CCCC1 842400891 VOPRYSUZEXJNPW-UHFFFAOYSA-N 273.376 3.612 30 20 CHED CC(C)N(CCC#N)Cn1c(=S)oc2ccccc21 745438568 WIPSHDJMHSDJJA-UHFFFAOYSA-N 275.377 3.545 30 20 CHED C=C(C)CCOC(=O)c1cc2c(C(C)C)nn(C)c2s1 744299644 IYVCHIAPHGJASN-UHFFFAOYSA-N 292.404 3.881 30 20 CHED Cc1cc(OCC2(CC#N)CC2)c2c(C)cccc2n1 596274384 SMBXHNBQPAWSKU-UHFFFAOYSA-N 266.344 3.924 30 20 CHED C=CCCn1cc(/C=C2\C[C@H](C)c3ccccc3C2=O)nn1 849246291 GWJBQDUJJCNBLS-UQRISPGASA-N 293.370 3.628 30 20 CHED CCCCCCCCCCn1cc([N+](=O)[O-])ccc1=O 915668547 DXYRMCDJLSQQAA-UHFFFAOYSA-N 280.368 3.897 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cccc(OC)c1O 840971947 WDBOMQMBFLWHFZ-QGZVFWFLSA-N 297.398 3.678 30 20 CHED COCc1cccc(/C=C2/COc3c(C)cccc3C2=O)c1 742432525 BLWGQTZMRPZXES-YBEGLDIGSA-N 294.350 3.800 30 20 CHED CCC[C@H](C)C(CC)=NNc1ncc(Br)cn1 848421332 SZJQTKCBBFKKFQ-VIFPVBQESA-N 299.216 3.853 30 20 CHED C=CCCCOC(=O)[C@@H](C)c1cccc(Cl)c1 745303290 FWPSHIHORCPAHF-NSHDSACASA-N 252.741 3.953 30 20 CHED N#CCC[C@H](Nc1ncc2c(n1)CCCC2)c1ccccc1 840277550 UTYGRYJLTBFMCI-INIZCTEOSA-N 292.386 3.812 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccs1 593948330 JQNUNJGWXZXFRL-STQMWFEESA-N 298.411 3.676 30 20 CHED C#CC1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1 843709125 SXGLCCZEIWNOST-UHFFFAOYSA-N 299.389 3.509 30 20 CHED C[C@@H](CN(C)C(=O)NCCCCC#N)C1CCCCC1 598983707 REXCGAFNHKIOGC-AWEZNQCLSA-N 279.428 3.538 30 20 CHED CC(C)(CC#N)CNC(=O)N1CC[C@H](C2CCCCC2)C1 595650487 ZBVFAIDUXVFUJD-HNNXBMFYSA-N 291.439 3.538 30 20 CHED C=C(C)CNc1ccc(C(=O)Nc2ccccc2OC)cc1 746609332 YXIYFCWYGBNORI-UHFFFAOYSA-N 296.370 3.936 30 20 CHED CC(C)[C@H]1N(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1(C)C 590927498 FJKMEYFDBPVWHD-CZUORRHYSA-N 299.418 3.695 30 20 CHED Cc1cccc2ncc(/C=C/C(=O)c3cccc(F)c3)n12 748994311 MGKQZQDYQUNXCJ-CMDGGOBGSA-N 280.302 3.678 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc[nH]1 840332785 DERQEGRGWBRTNO-GOEBONIOSA-N 297.402 3.562 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)co1 682001935 DURBJZUGIAOFBP-AWEZNQCLSA-N 276.295 3.626 30 20 CHED CCCCCCCC(=O)N1CCC(OC2CCC2)CC1 841446398 GXSMSYYKYFRVKP-UHFFFAOYSA-N 281.440 3.907 30 20 CHED CC(C)(C)Oc1ccccc1NCC1(CC#N)CC1 594704339 AUIJUWSSZXZAKK-UHFFFAOYSA-N 258.365 3.970 30 20 CHED CCOc1cccc(C(C)=NNc2cccc(C(=O)O)c2)c1 743526340 QTMJSKWAFFRPNQ-UHFFFAOYSA-N 298.342 3.620 30 20 CHED C=C(C)CCOC(=O)C(F)(F)c1cccc(Cl)c1 744299575 HNHVITKCXRZZCT-UHFFFAOYSA-N 274.694 3.941 30 20 CHED C[C@H](O)c1ccc(OCCC2(C#N)CCCCC2)cc1 842074665 KORDEVMWZSTUAG-AWEZNQCLSA-N 273.376 3.983 30 20 CHED CCOc1ccc(/C=N/C[C@@H](C)CC(F)(F)F)c(O)c1 840711818 CMPPAHPUZMCVIY-NTOSSWPYSA-N 289.297 3.798 30 20 CHED Cc1ccnc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 755907153 VRNVMIVCDYTAOK-RQJABVFESA-N 255.365 3.614 30 20 CHED CC(C)(NCc1cc(C#N)ccc1Br)C1CC1 755049945 ZRHDEEWUQCIGLC-UHFFFAOYSA-N 293.208 3.599 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C2CCCCCCC2)n1 857638852 AZUJRLRSZCRECL-UHFFFAOYSA-N 285.391 3.869 30 20 CHED C[C@H](C/N=C/c1cc(Br)ccc1O)C1CC1 920177546 HPWNBZYYAOGYQV-KOLYXTFFSA-N 282.181 3.620 30 20 CHED C#C[C@@H](CC)NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 754375269 XBIXGAXZIAWIPK-INIZCTEOSA-N 299.414 3.512 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1C[C@H]1c1cccnc1 851145265 WDENTOMUEIBQGO-XBVQOTNRSA-N 285.387 3.863 30 20 CHED C=CCCCC(=O)NCc1ccc(Cl)c(Cl)c1 855780487 IXFCGQHLXFYIQH-UHFFFAOYSA-N 272.175 3.966 30 20 CHED C=CCCC(=O)OCC#Cc1ccc(C(F)(F)F)cc1 750883943 NLKBMZGFDLEZKK-UHFFFAOYSA-N 282.261 3.566 30 20 CHED C=CCC1(NC(=O)C=C(C2CC2)C2CC2)CCCC1 855927138 DDAIBJKQYABOQD-UHFFFAOYSA-N 259.393 3.738 30 20 CHED Cc1cc(C)c(C#N)c(SCCC2SCCS2)n1 853013358 XWVLVIFDSANRLX-UHFFFAOYSA-N 296.486 3.858 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c[nH]c3cccc(F)c23)C1 855439269 YNKUUSDZOXMPKG-LBPRGKRZSA-N 286.350 3.735 30 20 CHED CCCC[C@H]1CCCC1=NNc1ccc(C(=O)OC)cn1 758127002 MJOMNANJCZTVAR-LBPRGKRZSA-N 289.379 3.626 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)COc2ccccc21 755571380 ZUNDHAXTRMVSOL-VZUCSPMQSA-N 272.250 3.624 30 20 CHED C#C[C@H](CC)NC(=O)N(CC)C[C@H](CC)c1ccccc1 753244092 WXUGXHARQWJPES-DOTOQJQBSA-N 286.419 3.624 30 20 CHED CS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)c(C)c2)C1 1339345241 KGBZKCZWNUMQGH-HOTGVXAUSA-N 274.433 3.583 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCc1cnc(C)s1 850447141 HIWDADLLZBBGFO-UKRRQHHQSA-N 264.438 3.719 30 20 CHED CC(C(=O)N[C@@](C)(C#N)C1CCCCC1)=C1CCCC1 753619323 ZJUZPGVHFOTWAC-KRWDZBQOSA-N 274.408 3.856 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccc(Cl)nc1 759081118 AHPXATFNWANUIA-RQOWECAXSA-N 285.155 3.741 30 20 CHED C=CCCC(C)=NNc1ncnc2sc3c(c12)CCC3 758079440 HNBYRHPQTLPWHO-UHFFFAOYSA-N 286.404 3.934 30 20 CHED c1ccc2c(c1)CC[C@H]2CCON=C1CCCOCC1 853685038 ASLNGGVMIFXXPU-HNNXBMFYSA-N 273.376 3.680 30 20 CHED C[C@@H]1CC=CC[C@@H]1COC(=O)c1ccc(CC#N)cc1 759752843 OPEPQHAMMULCOZ-CZUORRHYSA-N 269.344 3.512 30 20 CHED CCCCCCCCCC(=O)NCc1cc(C)ncn1 757208864 KIYFIBMBHQBVAU-UHFFFAOYSA-N 277.412 3.542 30 20 CHED C=C(C)CN(CC)C[C@@H](O)c1ccc(Cl)cc1Cl 759114186 RVBBNTPKQXGCJF-CQSZACIVSA-N 288.218 3.925 30 20 CHED CC[C@H](C)C=Nn1c(S)nnc1-c1ccccc1Cl 755523732 HMYSFDJHXANLHK-VIFPVBQESA-N 294.811 3.767 30 20 CHED Cc1cc(F)ccc1CC/N=C/c1ccccc1O 755031395 HYGALKULBMSETF-WOJGMQOQSA-N 257.308 3.501 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 757765637 XHCQYFLJURBJBW-NXHRZFHOSA-N 298.430 3.971 30 20 CHED COCc1ccc(C=NNc2cccc(Cl)c2F)o1 764679152 PAIOHWBWZUEMRC-UHFFFAOYSA-N 282.702 3.665 30 20 CHED COc1ccc2nc(NN=C(C)C(F)(F)F)c(C)cc2c1 761833856 JSBMWAOQLWGCOF-UHFFFAOYSA-N 297.280 3.902 30 20 CHED N#CC1(COC(=O)CCCC2CCCCC2)CCC1 768105947 UOPCKSYPPTVNKW-UHFFFAOYSA-N 263.381 3.974 30 20 CHED C#Cc1cccc(NC(=S)Nc2c(C)cccc2OC)c1 766509810 RQFXVDACESJRTE-UHFFFAOYSA-N 296.395 3.794 30 20 CHED C=CCOc1ccc(COC(=O)c2ccsc2)cc1 763639542 HQJJHEQIIJYSEZ-UHFFFAOYSA-N 274.341 3.670 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ccc(C(=O)O)cn1 763367690 FVSUSHLQRBSSPE-UHFFFAOYSA-N 297.358 3.509 30 20 CHED CC#CCCOC(=O)/C=C(/C)c1ccccc1OC(F)F 760275033 LBRFHVZIWSKKPZ-QXMHVHEDSA-N 294.297 3.648 30 20 CHED C=CCCCOC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 765530567 YFUBQXWGDAIPSP-AWEZNQCLSA-N 291.347 3.673 30 20 CHED Cc1c(C=NNCC(C)(C)O)sc2c(Cl)cccc12 863136864 NLDWFHMHIKXLMH-UHFFFAOYSA-N 296.823 3.558 30 20 CHED COc1ccc(CNCCc2c(C)cccc2C)cc1C#N 765275921 INUWSWQZEIPRNP-UHFFFAOYSA-N 294.398 3.516 30 20 CHED Fc1ccc(CC=NOCC(F)(F)F)c(Cl)c1 766452919 JRXRMPXQLCMMIB-UHFFFAOYSA-N 269.625 3.586 30 20 CHED CC1(C)Cc2occc2[C@@H](NCc2ccc(C#N)cc2)C1 765016677 YDZIXYVZSBAXHI-INIZCTEOSA-N 280.371 3.955 30 20 CHED N#Cc1ccc(SCc2cnc(Cl)s2)cc1 768305524 AHDLIUYRGLXNHO-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(O)ccc1F 872067659 RJGGWDLUCXLMCH-BBATYDOGSA-N 296.345 3.741 30 20 CHED CCc1cccnc1C(C)=NNc1ccc(F)cc1C 779783594 MSICFORIJJPNID-UHFFFAOYSA-N 271.339 3.928 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc2ccccc2s1 776368255 RIQYYWFMODULOU-UHFFFAOYSA-N 273.357 3.998 30 20 CHED Cc1ccc(COC(=O)c2cc(C#N)cs2)c(C)c1 770113238 SZWFHMANRJNEJK-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C(C)C)c2ccccc21 772917182 LVEMSZSCFDFYPW-INIZCTEOSA-N 269.388 3.966 30 20 CHED CCCC[C@H](CCC)NC(=O)Nc1cc(CC#N)ccn1 871725866 AQFKRGWNEUWKSS-AWEZNQCLSA-N 288.395 3.628 30 20 CHED N#Cc1ccc(/C=C2/Cc3ccccc3C2=O)c(F)c1 772802568 MJMQXUQPOWVMFY-ZROIWOOFSA-N 263.271 3.520 30 20 CHED Cc1cc(C=NNC[C@H](C)C#N)c(C)n1C1CCCCC1 771102003 CFBBQLQPVYOGFD-CYBMUJFWSA-N 286.423 3.693 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)Cc1ccccc1CC#N 776936866 RZZLZSUIRDXIBA-JKIFEVAISA-N 285.387 3.663 30 20 CHED C#CCCN[C@@H](CC(C)C)c1ccccc1OCC 775538238 LWKFZQNEAJHYJN-INIZCTEOSA-N 259.393 3.785 30 20 CHED N#Cc1ccc(C(=O)OC/C(Cl)=C/Cl)cc1Cl 778535211 MPKOUXBSMPFZMD-WTKPLQERSA-N 290.533 3.687 30 20 CHED Clc1cscc1C=NN=c1cc[nH]c2ccccc12 771885357 WWGHEECPUGIGDC-UHFFFAOYSA-N 287.775 3.818 30 20 CHED CCC(CC)CNN=Cc1cccc2cccnc12 774474170 WXYNFACDBIWTAY-UHFFFAOYSA-N 255.365 3.595 30 20 CHED C=CC(C)(C)CC(=O)NCc1coc(-c2ccccc2)n1 878956534 RNFFKACJHJLHHK-UHFFFAOYSA-N 284.359 3.560 30 20 CHED CC(C)(C#N)OC(=O)c1cc2c(s1)-c1ccccc1OC2 779227498 ONEQOSIKMSMNNW-UHFFFAOYSA-N 299.351 3.766 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)Nc1ccc(C)c(C)c1 778248344 UJEZYBGPRLVVPT-UHFFFAOYSA-N 298.308 3.723 30 20 CHED CC(=NOC1CCCCC1)c1ccc(O)c(F)c1 777460441 XHZJJAHGVCKOQN-UHFFFAOYSA-N 251.301 3.605 30 20 CHED COc1ccccc1C(C)=NNc1cc(Cl)ccn1 777905931 CHDILRVGDKGGMI-UHFFFAOYSA-N 275.739 3.580 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1sccc1O 773150577 REYGFIJSXQEQQA-HWKANZROSA-N 262.305 3.797 30 20 CHED CC[C@H](Cc1cccs1)NCc1cc(C#N)ccc1F 773030494 QWNHHHUWVJYALV-CQSZACIVSA-N 288.391 3.870 30 20 CHED C#CCCCCC(=O)OCCCc1ccccc1C 773636648 WTSLLRRTSHKAJM-UHFFFAOYSA-N 258.361 3.664 30 20 CHED COc1cc(/C=C2/CCc3c(O)cccc3C2=O)ccc1C 773138804 GRMOEYDQEVOLDU-UVTDQMKNSA-N 294.350 3.922 30 20 CHED CC(=NNc1nccc2sccc12)c1cnccc1C 771564497 UFYULZSDVPCWBH-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C#CC[C@H](N[C@@H](C)c1cnc(C)s1)c1ccccc1 773113845 FTOIEYVOKCFNBW-WFASDCNBSA-N 270.401 3.867 30 20 CHED CC(CCc1ccco1)=NNc1cc(Cl)ccn1 777906088 TVMUSSOJEXKIGF-UHFFFAOYSA-N 263.728 3.749 30 20 CHED Cc1ccc2cc(C=NNc3ccc(C#N)cc3)ccc2n1 783514717 UQTUPWFOSKRHSW-UHFFFAOYSA-N 286.338 3.861 30 20 CHED CCC(=NNC1CCOCC1)c1cccc2ccccc12 780230121 PKZFUYCZJGRENO-UHFFFAOYSA-N 282.387 3.723 30 20 CHED C=C[C@H](CC(=O)Nc1ncc(CC)o1)c1ccccc1 889390592 YTZNFFNXEFUUCE-GFCCVEGCSA-N 270.332 3.535 30 20 CHED C=CCCCC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 780269811 VBZXJKWANQRFBE-MNOVXSKESA-N 263.303 3.532 30 20 CHED C=C(CNCc1ccc(OCOCC)cc1)c1ccccc1 782953423 RWWWSBNFYKYXPU-UHFFFAOYSA-N 297.398 3.862 30 20 CHED CSCCCCC(=O)OCc1ccc(Cl)cc1C#N 780042873 YCRQOSRMWQIYHJ-UHFFFAOYSA-N 297.807 3.788 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1cc(C#N)c(F)cc1F 880715770 HNKQMEFTMXWICO-SNVBAGLBSA-N 295.333 3.736 30 20 CHED CC#CC(=O)Nc1ccc(Oc2ccc(OCC)cc2)cc1 788269847 INBZCBSNYMNTRY-UHFFFAOYSA-N 295.338 3.839 30 20 CHED CC[C@H]1CCC[C@@H](C=Nn2cc(Br)cn2)C1 783856372 AFRBOGJHUOELRF-WDEREUQCSA-N 284.201 3.696 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNc1ncncc1Cl 780278437 AOLAAXAQZQYEAZ-NXEZZACHSA-N 266.776 3.744 30 20 CHED CC(=NNCCc1ccncc1)c1cc2ccc(C)cc2o1 789086278 QZIOWUGBECSPBJ-UHFFFAOYSA-N 293.370 3.693 30 20 CHED C=CCCN(C)C(=O)/C(C)=C/c1cccc(Cl)c1 786669950 JWEWDILKLWZNPR-ZRDIBKRKSA-N 263.768 3.778 30 20 CHED CC(C)(C)[C@@H]1CCCN(CCCSCC#N)CC1 80628911 BMPFHUCNOYPYAU-CQSZACIVSA-N 268.470 3.781 30 20 CHED N#C[C@H]1CCCN(Cc2cnc(-c3cccs3)s2)C1 896503262 MCQBRWRUZCBCHS-LLVKDONJSA-N 289.429 3.607 30 20 CHED CCOc1ccc(C=NN[C@H](C)c2ccccc2)cc1F 782200456 GEXTUNJWXVTQCQ-CYBMUJFWSA-N 286.350 3.909 30 20 CHED CC(C)(C)C(=O)/C=C1\SCC(=O)N1CCC1CCCC1 783553907 ZKXWZLQCVQSWNS-GDNBJRDFSA-N 295.448 3.599 30 20 CHED Cc1cc(COC(=O)C2(c3ccccc3)CC2)ccc1C#N 781936881 KGVSAXIYSVAFJX-UHFFFAOYSA-N 291.350 3.642 30 20 CHED FC(F)(F)C1CCC(C=NNCCc2ccccn2)CC1 789105486 RTZLRBWTHUIKEW-UHFFFAOYSA-N 299.340 3.568 30 20 CHED CCCCCCC[C@@H](C)NCc1ccc(NC(C)=O)nc1 789751409 DBBQKOKBDCCNIQ-CQSZACIVSA-N 291.439 3.879 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1csc(Cl)c1 786352420 AATKPEHVYSRDMK-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C=CCCC[C@H](C)Nc1c(F)c(F)nc(F)c1F 398125951 ILCOBCVBQOZWKA-ZETCQYMHSA-N 262.250 3.795 30 20 CHED C=CCCCC(=O)N(Cc1cnn(C)c1)c1ccc(C)cc1 894214991 NMSRDMLICWXLLW-UHFFFAOYSA-N 297.402 3.618 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1ccnc(O)c1 790297056 INVZJCXCSAVUAT-UHFFFAOYSA-N 283.375 3.921 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2)cn1 799607453 ZWQYDCZFAWJGFT-MRXNPFEDSA-N 296.326 3.579 30 20 CHED N#CCc1ccc(NC[C@@H]2C[C@@H]2c2ccccc2)cc1 546781316 PRZVIBLHVSLYAC-FUHWJXTLSA-N 262.356 3.968 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1CCCCC 791066629 DPDOMAHDEMMIOE-HUUCEWRRSA-N 264.413 3.543 30 20 CHED Cc1cc(F)cc(C)c1C(=O)N[C@@H](C)c1cccc(C#N)c1 1133501333 VDMIZPBWWVTQLQ-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED CC[C@H](C#N)OC(=O)CC(C)(C)C1CCCCC1 796045962 AMJFCOGQXKSIBO-CYBMUJFWSA-N 251.370 3.828 30 20 CHED C=C(C)CNC(=S)N[C@H]1CC[C@H](c2cccc(F)c2)C1 795026245 AYNWJFLOFXYDFK-ZFWWWQNUSA-N 292.423 3.502 30 20 CHED CCN(CC)c1ccc(/C=C/c2ccncc2C#N)cc1 794713696 NXTFHGHGOXEKCH-VMPITWQZSA-N 277.371 3.970 30 20 CHED CCCc1cccc(/C=C2\CCc3nn(C)cc3C2=O)c1 794962760 WQKPQGQUFPOWOR-RVDMUPIBSA-N 280.371 3.585 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C#Cc1ccccc1 791865246 KMEJQMDCUWNCGY-UHFFFAOYSA-N 289.378 3.643 30 20 CHED C[C@@H]1CC[C@@H](CNCc2ccc(O[C@H](C)C#N)cc2)C1 793346733 JOHLTUSFHWNJEB-IIAWOOMASA-N 272.392 3.503 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](CC)c1cc(F)ccc1F 791066931 GZKTYMFRJCFWPS-DOMZBBRYSA-N 294.345 3.517 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc2c(c1)CCC=C2 793467475 YYDKXAMGIRSTAH-UHFFFAOYSA-N 282.387 3.658 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@@H]2CCC[C@H]2C)cc1 798503394 JDBNRJHHUCTKDD-FMKPAKJESA-N 272.392 3.503 30 20 CHED CCCCCCCCCNC(=O)c1occ2c1CCOC2 795038351 XFJJLLNQFMUXFJ-UHFFFAOYSA-N 293.407 3.833 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(CCC)CCC2)c1 759185308 WQRLODHJWMSMCS-UHFFFAOYSA-N 255.361 3.601 30 20 CHED Cc1ccc(O)cc1NC(=O)C[C@H](CC#N)c1ccccc1 1151618462 WLMLWOMIZKELIR-HNNXBMFYSA-N 294.354 3.727 30 20 CHED C=C(C)COCCN[C@@H](C)c1sc(C(C)(C)C)nc1C 90451320 KXQVUTQMUQFAPZ-LBPRGKRZSA-N 296.480 3.992 30 20 CHED Cc1nc(NC2(Cc3ccc(F)cc3)CC2)ccc1C#N 1307119818 AQOYIVFTRDCTKK-UHFFFAOYSA-N 281.334 3.588 30 20 CHED CS[C@@H]1CC[C@@H](N(C)CC(C)(C)CCC#N)C1 1319719374 ZUXDRVHAQQMJGX-CHWSQXEVSA-N 254.443 3.532 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 1312841687 RSLDWQHJVLBYPJ-KGLIPLIRSA-N 293.455 3.830 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 1232608918 AMEUCVLPMYVKMZ-GFCCVEGCSA-N 262.784 3.834 30 20 CHED CCc1nc(C#N)cc(N(Cc2ccccc2)CC(C)C)n1 1639364334 UBFUWOJNLBGFKB-UHFFFAOYSA-N 294.402 3.573 30 20 CHED Cc1ccccc1-c1nnc(-c2cc(C#N)cs2)o1 1322864473 YCUSLTCWBUTRNH-UHFFFAOYSA-N 267.313 3.645 30 20 CHED C#CCN(Cc1csc(-c2ccc(C)cc2)n1)CC1CC1 1324765021 RQZNMZWRQBESLK-UHFFFAOYSA-N 296.439 3.964 30 20 CHED C=CCCOCC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1322352684 UXOXJHBQKSWLPN-INIZCTEOSA-N 293.382 3.622 30 20 CHED Fc1cncnc1NN=Cc1ccc(-c2ccccc2)s1 1324801470 FZIPREQGKYDFCE-UHFFFAOYSA-N 298.346 3.790 30 20 CHED N#CC1(c2nnc(-c3ccc4ccccc4n3)o2)CCCC1 1326060925 IHIBWEAQHQLJLT-UHFFFAOYSA-N 290.326 3.620 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)c2ccc(F)cc2F)c1 1323161622 CHOVBYQJYKRERQ-LBPRGKRZSA-N 299.320 3.713 30 20 CHED CC(C)C[C@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1 1185881426 RVKBHUVJVCCAJC-ZDUSSCGKSA-N 296.374 3.987 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1330885685 JHLVCRDYPAZRCU-VIFPVBQESA-N 269.747 3.869 30 20 CHED CCCCN(C(=O)c1cccc(C#N)c1C)c1cccnc1 1330576210 CPXAHTBIDGVBRJ-UHFFFAOYSA-N 293.370 3.709 30 20 CHED C=C(C)CNc1cccc(CCC(=O)OC(C)(C)C)c1 1335209528 POSIOAWXMDUIGD-UHFFFAOYSA-N 275.392 3.949 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C3CCCCC3)n2C)C1 1339608863 FTTRHPMUPJKZPQ-CQSZACIVSA-N 288.439 3.655 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(-c2ccccc2)s1 1338998661 KZJNYIGBGFJOSW-ZDUSSCGKSA-N 269.369 3.557 30 20 CHED CC(C)Nc1nnc(SCC2(C#N)CCCC2)s1 1339816932 CAJVHUUAMBYWQK-UHFFFAOYSA-N 282.438 3.534 30 20 CHED C=CCC1(NC(=O)CC(C2CC2)C2CC2)CCCC1 1261780007 CWOPKFDHWIFBII-UHFFFAOYSA-N 261.409 3.818 30 20 CHED C=CCCOCCCCc1nnc(CC(C)(C)C)o1 1346600561 APPQYKFVYXXTRQ-UHFFFAOYSA-N 266.385 3.574 30 20 CHED COc1ccc(C#N)cc1CNC1(C2CCCCC2)CC1 1198541372 NCOKWDPVIVLTQF-UHFFFAOYSA-N 284.403 3.769 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C(F)F)cc2F)cc1 1355065288 GXYCMRVVJXHQAY-UHFFFAOYSA-N 290.244 3.887 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(F)cc1 1526208768 IIMGWDSWHIYDTH-LBPRGKRZSA-N 282.318 3.531 30 20 CHED Cc1cc(Cl)cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 1528082145 UXMGXLWGLPATIP-SMDDNHRTSA-N 277.751 3.888 30 20 CHED Cc1nc(N[C@@H]2C[C@H]2Cc2ccccc2)c(Cl)cc1C#N 1458198164 JOWTYOVOZPFQQD-CZUORRHYSA-N 297.789 3.958 30 20 CHED N#Cc1csc(/C=C/c2nc(Cl)c(C(=O)O)s2)c1 1601131349 XGFXYPBJZJEEFF-OWOJBTEDSA-N 296.760 3.598 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1ccc(C#N)cc1 1534673708 CFZUKHWYYZCHEE-HNNXBMFYSA-N 272.392 3.895 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cc(C(=O)O)co2)c(C)c1 1607618313 GQYYQRPPYDZCAA-PLNGDYQASA-N 284.311 3.799 30 20 CHED C=CCCCCSc1ccc(-c2nn[nH]n2)c(C)c1 1602838340 UJFIZSTXKKYGPD-UHFFFAOYSA-N 274.393 3.624 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1ccc(C#N)cc1Cl 226345295 XTZZEGMXCIUQTM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H](NC(=O)NCC1CCCCCC1)c1cccc(C#N)c1 1470180521 ODXBNSCXXXTLPZ-CQSZACIVSA-N 299.418 3.889 30 20 CHED N#Cc1nccnc1NCc1ccc(-c2cccs2)cc1 1612585012 KYFNEQKAAZHYOT-UHFFFAOYSA-N 292.367 3.689 30 20 CHED CSC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 227993495 QPHRXGHECAYYBB-UHFFFAOYSA-N 286.322 3.885 30 20 CHED N#Cc1ccc(NCC2CCC2)cc1Br 228177825 WMDYQBKQGCFZLW-UHFFFAOYSA-N 265.154 3.533 30 20 CHED C=C(CNC(=O)N1CC(C)(C)[C@H]1C(C)C)c1ccccc1 1635923690 SOKMMMAELIBZMD-MRXNPFEDSA-N 286.419 3.776 30 20 CHED Cc1c(C(=O)C(C)C)ccc(C#N)c1C(F)(F)F 725326551 AIABFQYNKHVNMA-UHFFFAOYSA-N 255.239 3.724 30 20 CHED C[C@@H]1Cc2ccccc2N1Cc1ccc(F)c(C#N)c1 229747328 UVONBZHHEGQKKE-GFCCVEGCSA-N 266.319 3.649 30 20 CHED COc1ccc([C@H](C)Nc2cc(C)c(C#N)cn2)cc1F 1655216950 JGYDWIYYMYEYCN-NSHDSACASA-N 285.322 3.583 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc(Cl)c(F)c1 121847288 HYGNSCVQKCODDD-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CC[C@@H](Sc1ncc(C(C)C)n1C(C)C)C(=O)O 1588759664 YMSCXDYASBWXSK-GFCCVEGCSA-N 282.409 3.709 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)O)c1 1588731863 OZQMQAZMGRYAQQ-UHFFFAOYSA-N 281.739 3.579 30 20 CHED CC(C)(C)C[C@H]1CCN(c2cccc(C#N)n2)C1(C)C 1651240111 GEXXHHRWMSXXGS-CYBMUJFWSA-N 271.408 3.994 30 20 CHED Cc1nc(N[C@H]2CCC[C@@H]2C(C)(C)C)ccc1C#N 1651933191 QCHQMIZVUBOCMO-KBPBESRZSA-N 257.381 3.888 30 20 CHED CSc1ccc(N(C)C(=O)Nc2ccc(C#N)cc2)cc1 1657571128 QGXIOGHNLGENFF-UHFFFAOYSA-N 297.383 3.948 30 20 CHED Cc1c(C#N)cccc1NCc1ccc2c(c1)C[C@@H](C)O2 1658049563 DRACMHMMNWTXDE-GFCCVEGCSA-N 278.355 3.802 30 20 CHED CC(C)(CNc1ncc(C#N)cc1F)c1ccc(F)cc1 1655101485 OZFJNSYGCLLFBP-UHFFFAOYSA-N 287.313 3.621 30 20 CHED CC(=O)c1ccc(Oc2nc(C)ccc2C#N)cc1Cl 1655879034 SAVWVARQLZCJKM-UHFFFAOYSA-N 286.718 3.910 30 20 CHED CC(C)[C@H]1CN(Cc2cccc(C#N)n2)c2ccccc21 1659650913 QHAVCNQMVYRXMC-QGZVFWFLSA-N 277.371 3.713 30 20 CHED C=CCC1(C(=O)Nc2cc(C(=O)O)cs2)CCCCC1 1588764641 FMVXSUIMJFVHIJ-UHFFFAOYSA-N 293.388 3.911 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)NCc2cccc(C#N)c2)C1 1673954376 BESZJUCLASZMBJ-MRXNPFEDSA-N 299.418 3.574 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2cccc(C(=O)O)c2)C1 1776036984 DQAQQIGIEZPEEG-STQMWFEESA-N 274.364 3.999 30 20 CHED COc1cc(C(=O)O)ccc1NN=CCCC1CCCC1 1776051512 NQRWDTYGJRLOBD-UHFFFAOYSA-N 290.363 3.762 30 20 CHED O=C(O)c1ccc(-c2ccc(C=NOC3CCC3)cc2)cc1 1776079460 AVIBNKJERJXCOS-UHFFFAOYSA-N 295.338 3.955 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(CC(=O)O)cc2)c1 1776127445 SYMQRLOWCRIBOO-MDZDMXLPSA-N 280.323 3.518 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(CC(=O)O)c2)cc1 1776114126 GRZTVPWOYCBKMW-YFHOEESVSA-N 280.323 3.518 30 20 CHED C=CCN(C)C(=O)c1ccc(OCCCCC)cc1 161807357 PSJFYUSHGINBIX-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C=CCN(CC=C)Cc1ccc(CSC(F)F)o1 158139398 WVPUNDJFQXYFFP-UHFFFAOYSA-N 273.348 3.909 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1cc(F)ccc1C 151961572 XFHVGTZRUXRFRJ-NSHDSACASA-N 267.369 3.770 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(F)c(Cl)c1 155646634 SDJHDYHEIHTCQR-LLVKDONJSA-N 271.763 3.722 30 20 CHED CC[C@@H](Nc1nccc(C#N)c1Cl)c1nccs1 233905985 MKQKRTGOSMZPDU-SECBINFHSA-N 278.768 3.626 30 20 CHED C[C@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 251591240 XSIKPIFBZCPDKQ-MGBSGCIJSA-N 254.377 3.645 30 20 CHED COc1ccc(CNc2cc(Cl)ccc2C#N)cc1 36954239 HAHZAFAUBFQENX-UHFFFAOYSA-N 272.735 3.832 30 20 CHED N#Cc1ccc(OCCCSCc2ccco2)cc1 37143730 PZYGKRUEAJEGNI-UHFFFAOYSA-N 273.357 3.854 30 20 CHED CCc1sc(C(=O)N(C)c2ccc(C#N)cc2)cc1C 266121078 BYZGJZGTENXIMY-UHFFFAOYSA-N 284.384 3.767 30 20 CHED C=CCCCCN[C@H](C)c1nc2ccccc2n1C 274404483 BRBJMPCIZMNKGA-CYBMUJFWSA-N 257.381 3.580 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1cc2ccccc2o1 285055692 QMXQXLVNPGZDNU-BDJLRTHQSA-N 270.332 3.550 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cc(OC)ccc1O 182424816 IZIGPMAIGPEWDF-CHWSQXEVSA-N 263.381 3.796 30 20 CHED N#Cc1cccc(CCNCc2cc(Cl)ccc2F)c1 466421484 DMEOSQRAIOFBRH-UHFFFAOYSA-N 288.753 3.683 30 20 CHED C=CCN(Cc1ccccc1)Cn1nc(C)sc1=S 75604494 KLNWQACSJJBDTO-UHFFFAOYSA-N 291.445 3.628 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 314955700 NTNBUJCIZUMSBV-AYMQEEERSA-N 270.376 3.826 30 20 CHED N#CCc1ccc(CN2C3CCCC2CCC3)cc1 612083669 UKXCSIYCEVPISL-UHFFFAOYSA-N 254.377 3.660 30 20 CHED C[C@@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 439431525 NIRZPWSMQQHWOX-GFCCVEGCSA-N 262.784 3.834 30 20 CHED C#C[C@@H](NC(=O)CCSc1ccc(C)cc1)C(C)(C)C 702235832 FCMFTEYDGBAVGU-OAHLLOKOSA-N 289.444 3.641 30 20 CHED C=C(C)CN1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 475729365 WYSUZINYYOXUNV-IBGZPJMESA-N 284.447 3.551 30 20 CHED C#C[C@@H](C)N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 368046698 ZPYBQTDHYJQJMZ-CHWFTXMASA-N 253.798 3.505 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]2C[C@H]21 588065915 FOMXBHYOOZXTFU-NOZJJQNGSA-N 266.266 3.566 30 20 CHED C=CC(C)(C)CNc1ccc([N+](=O)[O-])c2cnccc12 384830335 FCHXBFAKORPJMB-UHFFFAOYSA-N 271.320 3.767 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(Cl)nc(Cl)c1 717676226 ROHNMRXGCWGPNQ-UHFFFAOYSA-N 287.190 3.863 30 20 CHED C=CC[C@@H](CC)NCc1ccc([N+](=O)[O-])cc1Cl 393849714 JOCYGILTWRIIRD-LLVKDONJSA-N 268.744 3.693 30 20 CHED C[C@H](CNc1c(F)c(F)nc(F)c1F)CC(F)(F)F 397036685 FYACKTAFNOSYEF-BYPYZUCNSA-N 290.182 3.638 30 20 CHED CC(=NNCc1ccccc1)c1cc(Cl)ccc1O 916343698 BGFAFOGRFJXPAJ-UHFFFAOYSA-N 274.751 3.559 30 20 CHED CC1=C(Br)CN(c2ccc(F)cc2C#N)CC1 797438958 PSZZBGRWZQHBTB-UHFFFAOYSA-N 295.155 3.576 30 20 CHED Cc1ccc(C)c(COC(=O)c2cccc(C#N)c2)c1 3545712 YALQPORXHDJAPK-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 7586247 ITHXCSWVIIHICF-BJMVGYQFSA-N 287.309 3.927 30 20 CHED C=CCNC(=O)c1ccccc1SCc1cccs1 8271716 PAECMXDVAACSAT-UHFFFAOYSA-N 289.425 3.956 30 20 CHED N#Cc1ccccc1CNc1ccc(NC(=O)C2CC2)cc1 10943766 ZTEQYVJKZJDKEK-UHFFFAOYSA-N 291.354 3.519 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(F)c(Cl)c1 102046459 PIOLOJUWAZNKDN-UHFFFAOYSA-N 284.762 3.587 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(CC#N)cc1 343518876 BYYUBCKFNASCOR-UHFFFAOYSA-N 269.392 3.514 30 20 CHED Cc1ccc(C)n1-c1ccsc1C(=O)OCCCC#N 52179633 KNKFYWVAMKIUFU-UHFFFAOYSA-N 288.372 3.616 30 20 CHED CCCN(CC#N)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 107565216 RFLKVKHZJVFUDU-QZTJIDSGSA-N 292.382 3.705 30 20 CHED C[C@H](NCc1ccccc1C#N)[C@H](C)c1ccccc1 179094893 ITCWNRHAZWGZHN-GJZGRUSLSA-N 264.372 3.840 30 20 CHED Cc1ccc2cccc(NC(=O)c3ccc(C#N)cc3)c2n1 66235525 AFWANQMJUREXSD-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)[C@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 179731329 IGRNMJYAFBDGLF-KRWDZBQOSA-N 294.354 3.642 30 20 CHED Cc1cccc(F)c1NC(=O)c1c(F)cc(C#N)cc1F 179942851 WHUZRZDDQGINFQ-UHFFFAOYSA-N 290.244 3.536 30 20 CHED N#Cc1ccccc1/C=C/c1nc(Cc2ccccc2)no1 171787156 JOCJIBPGCIWJLL-ZHACJKMWSA-N 287.322 3.702 30 20 CHED C=CCOCCCC(=O)N1CCCC2(CCCCC2)C1 173347947 SINDYSMLWYOGCG-UHFFFAOYSA-N 279.424 3.542 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCC[C@H](C)C1 303930095 PMKSEBUDZOLVNC-QWHCGFSZSA-N 289.350 3.603 30 20 CHED C=CCN1CCC(N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 177910617 JUPGOBVQZOBEDS-DNVCBOLYSA-N 284.447 3.865 30 20 CHED CCc1ccc([C@@H]2CN(c3ccc(C#N)cc3)CCO2)cc1 302653589 CJKGLUFAVGVPBA-IBGZPJMESA-N 292.382 3.699 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCCC(C)(C)CC2)c1 302104561 MWXDUUWQNHHMKU-UHFFFAOYSA-N 270.376 3.777 30 20 CHED CCCCNC(=O)[C@@H](C)S[C@H](C)c1ccc(C#N)cc1 118446479 XTEIYHZYJSIAMI-CHWSQXEVSA-N 290.432 3.657 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccccc2C)no1 113730350 OGNXKOWYAMHPBH-GFCCVEGCSA-N 258.321 3.699 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1coc2ccccc12 113173406 UVPDXYOQCXAIRR-UHFFFAOYSA-N 284.359 3.835 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(C)c2cccc(C#N)c2)cc1 67990272 QDMXZFFRQIENLJ-CQSZACIVSA-N 292.382 3.887 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccccc2F)c1 310882977 IOUQBJJOIDJLCH-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)NCCCCC#N 170886306 XVMPKONPGQCCKW-INIZCTEOSA-N 285.391 3.535 30 20 CHED C[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)C1 301763507 FGWHHQSZOMWPNF-WDEREUQCSA-N 297.324 3.844 30 20 CHED CCOc1cccc(/C=N/Cc2ccc(COC)cc2)c1O 24824737 KSFCENBXCNCSCA-XDHOZWIPSA-N 299.370 3.556 30 20 CHED CC(C)[C@@H](C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 113178742 VPNSPYBJMNBSJP-SMDDNHRTSA-N 278.783 3.703 30 20 CHED CC1CCN(CCCNc2ccc(Cl)cc2C#N)CC1 303136884 ALFKGDJYICOTIW-UHFFFAOYSA-N 291.826 3.746 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(F)ccc1Cl 117005880 YDQDDWKIWWUOOL-QMMMGPOBSA-N 256.708 3.565 30 20 CHED C#CCCCNC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 173323717 MJGLOURETRUARO-UHFFFAOYSA-N 298.430 3.897 30 20 CHED CC[C@H](CNCc1ccc(C#N)cc1)Oc1ccccc1F 176990604 DMENZTWXUXWJPG-MRXNPFEDSA-N 298.361 3.645 30 20 CHED C=CCN(CCc1ccccc1)Cc1nc(C(C)(C)C)no1 65959539 LPJJOZZBBDGHFN-UHFFFAOYSA-N 299.418 3.598 30 20 CHED Cc1cccc(C(=O)N(C)c2cc(Cl)ccc2C#N)c1 176428325 YSULZEFNYGGIJV-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CCCC[C@H](CCC)NC(=O)CCc1ccc(C#N)cc1 177289377 BQRIWCCENUZBPG-KRWDZBQOSA-N 286.419 3.966 30 20 CHED C=CCC[C@H](N[C@H](C)C[C@@H](O)c1cccs1)C1CC1 121164878 WGXJDXSVRGQILD-VHDGCEQUSA-N 279.449 3.895 30 20 CHED Cc1csc([C@H](C#N)C(=O)CC2(C)CCCCC2)n1 125899053 AWATZEFUUVTYAI-GFCCVEGCSA-N 276.405 3.988 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(C)s1 354837606 BSSUKLMXFKDXDH-UHFFFAOYSA-N 258.346 3.549 30 20 CHED C=C[C@H](CC(=O)OCc1ccc(C#N)cc1)c1ccccc1 122453756 YNBQPUQHVQHRTN-QGZVFWFLSA-N 291.350 3.961 30 20 CHED Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)cnc1Br 185896568 WAHJMMRFYHPRDX-MNOVXSKESA-N 294.196 3.647 30 20 CHED N#Cc1ccccc1CNc1cc(F)ccc1OC(F)F 128114124 HUQVDXFQERCTJW-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](CC)C1)c1ccccc1 125104877 WRPKCKDONKHQPW-LSDHHAIUSA-N 257.377 3.605 30 20 CHED C=CCC[C@@H](CC)NC[C@H](O)c1ccc(Cl)cc1 120502441 MGSNBZLEGXTCDP-CABCVRRESA-N 267.800 3.708 30 20 CHED N#CCCCCSc1nncn1-c1cccc(Cl)c1 122893007 KXYVNEOCTVKCBQ-UHFFFAOYSA-N 292.795 3.707 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2c(C)cc(C)cc2C1 187753343 FKYLESVEIGPZAC-UHFFFAOYSA-N 283.415 3.957 30 20 CHED C=CC[C@H](C)NC(=O)N(C)Cc1cccc(OC(C)C)c1 125572363 KJKFJHDKKLDTHP-AWEZNQCLSA-N 290.407 3.580 30 20 CHED CC#CCCCC(=O)N(c1ccc(OC)c(F)c1)C(C)C 185608373 JCSZMQZNOJXMEI-UHFFFAOYSA-N 291.366 3.769 30 20 CHED N#Cc1cnc(N[C@@H](c2ccccc2)C2CC2)c(F)c1 413032434 IIPHSELKDNXPHH-HNNXBMFYSA-N 267.307 3.656 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2)CC1 443153356 CQPALFWQVVTDCG-JSGCOSHPSA-N 271.364 3.649 30 20 CHED C=CC[C@@H](C(=O)NCCCCOC(C)C)c1ccccc1 189047966 BJRVBBMCTDBRJU-QGZVFWFLSA-N 289.419 3.668 30 20 CHED CC(C)N(C)Cc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 185885528 DEEFBHLKGGPTAU-LPHOPBHVSA-N 299.462 3.699 30 20 CHED C[C@H](NCCCCC#N)c1c(F)cccc1Cl 181748669 SQECYWHMFQGQIO-JTQLQIEISA-N 254.736 3.824 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1CCOC 189557939 VAKMDXYOPQWEJE-CQSZACIVSA-N 290.407 3.742 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)[C@@H]1C 416736185 OXFQROYDSRSSII-GMTAPVOTSA-N 291.782 3.720 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccccc1OC 181037507 JOUNPRXKNJHHEX-LBPRGKRZSA-N 262.353 3.562 30 20 CHED CC[C@H](NC(=O)c1sccc1C#N)c1ccc(C)cc1 128006634 BREGPVIRHGAEAN-AWEZNQCLSA-N 284.384 3.809 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)Nc2ccccc2)s1 419827250 BHRIPCFQMBWNOC-LBPRGKRZSA-N 299.399 3.686 30 20 CHED CCOc1cc(-c2nc3cc(C#N)ccc3[nH]2)ccc1OC 123219198 LSZWQOAYTDSZQR-UHFFFAOYSA-N 293.326 3.509 30 20 CHED C=C(Cl)CN1CC[C@@H](c2c(F)cccc2F)C1 185330539 FEFCHWOKPSKXFX-SNVBAGLBSA-N 257.711 3.507 30 20 CHED C=CCSCCNC(=O)N(C)[C@H]1CCCC[C@@H]1CC 509206987 GHAAMVJOPWVWHB-KBPBESRZSA-N 284.469 3.516 30 20 CHED CN(Cc1ccc(C#N)cc1)c1nc2ccccc2s1 30523497 MRTLNZSQRFDBHP-UHFFFAOYSA-N 279.368 3.804 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OCC2CC2)cc1 181723512 YZRGRLHXQITMTD-UHFFFAOYSA-N 274.364 3.515 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1c[nH]c(C#N)c1)C(C)(C)C 181332403 AFPRHWQQQVXHQO-INIZCTEOSA-N 295.386 3.712 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1cccc(C(F)(F)F)c1 502415187 JXGVTCUVVAHNRA-CQSZACIVSA-N 298.308 3.764 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1ccc(Cl)cc1 506055181 BMJBXVWOWRRSTN-RYUDHWBXSA-N 250.773 3.883 30 20 CHED CCCCN(C(=O)CCc1ccc(C#N)cc1)[C@H](C)CC 78382939 VAZKIYLKNBETBK-OAHLLOKOSA-N 286.419 3.918 30 20 CHED N#Cc1c(NC(=O)C2(C#N)CCCC2)sc2c1CCCC2 70808846 VMVCOVWWAPGMLG-UHFFFAOYSA-N 299.399 3.521 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)C1 181577652 XBIMZLDTNHIYTD-HUUCEWRRSA-N 296.414 3.750 30 20 CHED CC(C)N(CCC#N)Cc1ccc(Br)s1 42530713 YDYATJZPRROATQ-UHFFFAOYSA-N 287.226 3.635 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1 45935116 IUSYMUXLZLURBU-UHFFFAOYSA-N 281.355 3.524 30 20 CHED Cc1coc(SCC#Cc2cccc(Cl)c2)n1 188383582 HUJAEOMJWPEJIB-UHFFFAOYSA-N 263.749 3.780 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 131828380 QCWRWEMEUZWRMH-UHFFFAOYSA-N 299.296 3.530 30 20 CHED C[C@H](N[C@@H](CO)CC1CCCCC1)c1cccc(C#N)c1 417365268 LXIULPYNNIYILM-KBXCAEBGSA-N 286.419 3.540 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1c(C)noc1C 416780012 BXSWPFVHQVMAQL-HNNXBMFYSA-N 299.374 3.600 30 20 CHED CCOC1CC(S[C@H](C)c2ccc(C#N)cc2)C1 419421061 KQAGEOBTPIFLLD-VCANKDNSSA-N 261.390 3.920 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1(CC)CCC1 413992014 WYXDCWCYAGKSOQ-INIZCTEOSA-N 271.404 3.870 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(N(C)CC)nc2)o1 191317214 XZWCHCXEFBUXEI-RMKNXTFCSA-N 284.359 3.589 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccccc2Cl)nc1 48566516 ZHIDYCSPCJAIRF-HNNXBMFYSA-N 283.762 3.948 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC1CCCC1 425127358 IXUPENKTOIMGMG-CYBMUJFWSA-N 270.376 3.658 30 20 CHED COc1ccc(C#N)cc1CN(C)Cc1ccccc1C 130415340 BRGGULVJCBWEPU-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C#Cc1cccc(NC(=O)CCC2CCCCC2)c1 41636816 KWRFZUXDWMHPHG-UHFFFAOYSA-N 255.361 3.967 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 132273957 BLAHZXNUKLEXNC-LBPRGKRZSA-N 299.330 3.589 30 20 CHED CC1(C)CCN(c2ccc(Cl)cc2C#N)CCS1 228002128 COICCKNCZWAFRD-UHFFFAOYSA-N 280.824 3.934 30 20 CHED C=CCOc1ccc(CNCc2c[nH]nc2C(C)(C)C)cc1 512566808 ZUVFIKSRWDXXCF-UHFFFAOYSA-N 299.418 3.562 30 20 CHED Cc1cn2cc(N=C(O)N[C@H]3CC34CCCCC4)ccc2n1 329125191 SVJFXPKPSNHPBT-AWEZNQCLSA-N 298.390 3.501 30 20 CHED CC(C)(C)c1cnc(N=C(O)c2ncoc2C2CC2)s1 328879715 LMOJAJKDRKSMMM-UHFFFAOYSA-N 291.376 3.942 30 20 CHED C[C@@H]1C[C@@H](Sc2ccc(C#N)cc2Cl)CCO1 421834439 KSGCTMNWQUZROS-KOLCDFICSA-N 267.781 3.871 30 20 CHED C=CCCC(=O)Nc1cc(Cl)c(Cl)cc1OC 190775783 LOCXTEXBMRUWDF-UHFFFAOYSA-N 274.147 3.907 30 20 CHED C#CCCCC(=O)N(c1ccccc1)c1nc(C)cs1 192057351 AXIZURAPJGAMEF-UHFFFAOYSA-N 284.384 3.920 30 20 CHED CCN(Cc1ccc(C#N)c(F)c1)[C@@H](C)c1cccc(O)c1 192058806 GAFAKLZWORARMG-ZDUSSCGKSA-N 298.361 3.986 30 20 CHED C[C@H]1CCCN(c2nc(-c3ccc(C#N)cc3)cs2)C1 193757968 FETJLKDEZOBGDV-LBPRGKRZSA-N 283.400 3.918 30 20 CHED CCC[C@H](C)CC(=O)Nc1ccc(C#N)c(C#N)c1C 421564398 YZHKIFYBACMWFL-NSHDSACASA-N 269.348 3.503 30 20 CHED C[C@@H]1CCCC[C@H]1CCNCc1cccc(C#N)c1 512223566 CRUVMDVRBCYIBI-PBHICJAKSA-N 256.393 3.864 30 20 CHED C#C[C@@H](CC)NCc1ccc(Br)cc1SC 381414471 VQIPXVFYSQAZHD-LBPRGKRZSA-N 298.249 3.672 30 20 CHED C=C(C)C[C@H](C)c1nc([C@@H](C)c2nccs2)no1 424351482 DJDQTJWUAIPVIC-VHSXEESVSA-N 263.366 3.748 30 20 CHED C#CCSc1nnc(-c2ccoc2C)n1-c1ccccc1 194359343 ZWSSBNLRAOVXNM-UHFFFAOYSA-N 295.367 3.561 30 20 CHED CC1(C)Oc2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2O1 193158356 KOUYDHJMTBFTGG-VXGBXAGGSA-N 272.348 3.688 30 20 CHED C/C=C(C)\C(O)=N\S(=O)(=O)c1c(C)c(C)cc(C)c1C 89964460 RPKHUMNZAUINGF-CLFYSBASSA-N 295.404 3.532 30 20 CHED C[C@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 228889809 UVIZRTHLYWZSNF-JTQLQIEISA-N 279.181 3.557 30 20 CHED C=C1CCN(C(=O)C2(c3c(F)cccc3F)CCC2)CC1 421759204 CDIRLBJCOOYNSB-UHFFFAOYSA-N 291.341 3.565 30 20 CHED Cc1c(NC(=O)C(C)(C)CC(C)C)ccc(C#N)c1C#N 421558731 NGOVITORZMJVHX-UHFFFAOYSA-N 283.375 3.749 30 20 CHED C#CCCCC(=O)N1CC(C)(C)Sc2ccccc21 192382882 LXWUGAPNKNRFPO-UHFFFAOYSA-N 273.401 3.707 30 20 CHED Cc1cc(-c2nc([C@H]3CCCC[C@H]3C)no2)ncc1C#N 331646625 LGHYRDAEAWHKIO-MFKMUULPSA-N 282.347 3.605 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2cccc(C(C)(F)F)c2)no1 335156609 OXNKELJVGJCMPX-PSLIRLAXSA-N 289.285 3.649 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(CCC#N)CC2CC2)o1 93091445 RODZEJMUYLIJMK-WFASDCNBSA-N 258.365 3.529 30 20 CHED CCCCCCCCNC(=O)Cc1cccs1 231191418 ANYASKWXRIUZJK-UHFFFAOYSA-N 253.411 3.767 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccs1 93100993 XGZGMVNQBDIEDE-UHFFFAOYSA-N 250.411 3.900 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 617789988 ZKONEWQEYMSXLA-NSHDSACASA-N 281.758 3.907 30 20 CHED C[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)CC(C)(C)C1 334981072 CPWQPYHWYRVDLE-CYBMUJFWSA-N 285.391 3.653 30 20 CHED CC1=C(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CCC1 335091351 MGRGCRCDFSIOJX-CYBMUJFWSA-N 268.360 3.578 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CC1(C)CCCCC1 330400853 SVCSHXJMUNPYRP-MRXNPFEDSA-N 264.413 3.791 30 20 CHED C=CCOCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 511890289 DNMMVXAOKWCTNZ-IPMKNSEASA-N 285.431 3.847 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@](C)(CC)C1 337900075 ICWCSWVYLKCKHJ-KRWDZBQOSA-N 288.439 3.748 30 20 CHED CC1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 332470297 RTCWYVCQYDAXMF-LBPRGKRZSA-N 289.404 3.564 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CCC(C(F)(F)F)CC1 436304358 DIWNRBIDYIBTAH-GFJIZPEISA-N 291.357 3.678 30 20 CHED N#Cc1cccc(SCCOc2ccccc2F)c1 435039069 ZYJIJXHIAFGKIL-UHFFFAOYSA-N 273.332 3.868 30 20 CHED C[C@H](CC(=O)N(C)c1ccc(C#N)cc1)c1ccc(F)cc1 439936018 VEIMBCPDHZROEL-CYBMUJFWSA-N 296.345 3.854 30 20 CHED N#Cc1cccc(C#N)c1NCCOc1ccccc1Cl 436413805 UCLBQJSZTQYFLZ-UHFFFAOYSA-N 297.745 3.574 30 20 CHED Cc1ccc(C#N)c(NCc2nc(C(C)C)c(C)s2)n1 346813434 ADZMLPLEMAGRNW-UHFFFAOYSA-N 286.404 3.762 30 20 CHED C=CCCCSc1nnc(SCCCC=C)n1C 522747495 HVCAFJHNVUJKBA-UHFFFAOYSA-N 283.466 3.932 30 20 CHED CCCCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 520736523 BABFGHVMWAUEHU-UHFFFAOYSA-N 295.342 3.874 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1ccccc1Cl 602504281 MNCRRMUDRUNSAY-NEPJUHHUSA-N 250.773 3.930 30 20 CHED C[C@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC[C@H]1C 348199701 QAWYNHJGTYNELZ-KEYYUXOJSA-N 296.414 3.531 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[C@H](C)C[C@H]1CC 436294960 PMHKYAGUEROJAV-UTSKFRMZSA-N 265.441 3.772 30 20 CHED Cc1nc2ccc(NCc3ccc(C#N)cc3F)cc2o1 344973333 BOBBRBQWAFUAAA-UHFFFAOYSA-N 281.290 3.759 30 20 CHED Cc1c(CNC[C@@H](C)CCC#N)oc2ccccc12 602555551 IQHBDQWKZHYGKT-LBPRGKRZSA-N 256.349 3.771 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCc1ccsc1 436314806 ZIAYRLSPBITJGU-IMJJTQAJSA-N 279.449 3.640 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 251654068 SZGUFRZBPGUISZ-OWIUFQIYSA-N 284.403 3.503 30 20 CHED Cc1ccc2snc(C(=O)Nc3ccccc3C#N)c2c1 1350619685 ZWBZHJOEJIZBQJ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C(CNC(=O)C[C@@H]1CC[C@H](C)C1)c1ccccc1 345747840 LSKDRAPJEFQHIK-DZGCQCFKSA-N 257.377 3.642 30 20 CHED C=CC1CCN(Cc2cscc2Br)CC1 347804518 FYEQZQLVXGLPOV-UHFFFAOYSA-N 286.238 3.909 30 20 CHED N#C[C@H]1N(CCCC2CCCC2)CCC[C@]12CCCCO2 447915992 TWHJYLXPJZWUIS-QZTJIDSGSA-N 290.451 3.884 30 20 CHED CC[C@]1(C)CCN(C(=O)c2cccc(SCC#N)c2)C1 344343668 HGIWBYQZNJNOQN-MRXNPFEDSA-N 288.416 3.564 30 20 CHED Cc1nc(CON=Cc2ccc(Cl)cc2)sc1C 255073795 YASNGWRLFMSBER-UHFFFAOYSA-N 280.780 3.964 30 20 CHED C=CCn1c(C)cc(C(=O)CN(CCC)CCC)c1C 342869293 CHAFMHHTMCQHFX-UHFFFAOYSA-N 276.424 3.596 30 20 CHED Cc1cc(C#N)cc(N[C@H](C)c2cc(C)ccn2)c1 449761508 YEOIFGUKIZRSKL-CYBMUJFWSA-N 251.333 3.743 30 20 CHED CCCN(C)c1ccccc1NCC1(CC#N)CC1 600587145 QPWKMPPOZJAVDA-UHFFFAOYSA-N 257.381 3.639 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2ccncc2)cc1OC 255101145 XRZYCUKGNPTGQH-XQRVVYSFSA-N 297.354 3.775 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)(F)F 449413595 JQDNKOSEDSKSQI-MRVPVSSYSA-N 292.251 3.710 30 20 CHED C=C(Cl)CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F 265595394 YTZCIIHBTHZLIW-NSHDSACASA-N 291.700 3.591 30 20 CHED C=CCCC1(C(=O)NCc2ccccc2OCC=C)CC1 356016206 UEYMIHQSDWDDNW-UHFFFAOYSA-N 285.387 3.614 30 20 CHED N#Cc1nc(N2CC[C@H]2c2cccc(F)c2)ccc1Cl 610516083 ZIUHKEACUHQDHP-AWEZNQCLSA-N 287.725 3.697 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCCOC1CCCC1 611392567 WHGCCGBNFFDQKN-LJQANCHMSA-N 298.430 3.875 30 20 CHED C=CCN(C(=O)c1ccc(Oc2cccnc2)cc1)C1CC1 357943563 DULCPBYJGOHCST-UHFFFAOYSA-N 294.354 3.665 30 20 CHED N#CC[C@@H]1CC[C@H](NCc2cccc3ccoc23)C1 449446432 QXBPYFNDPSQPGU-WFASDCNBSA-N 254.333 3.605 30 20 CHED CCCC[C@H](CC)C(=O)NCC(C)(C)CCC#N 359760200 ZWIWBWWISFYINV-ZDUSSCGKSA-N 252.402 3.649 30 20 CHED N#CCCCCCc1nc([C@@H]2CCOc3ccccc32)no1 350087002 VMUXGKFTBQFTSX-CQSZACIVSA-N 297.358 3.610 30 20 CHED C=CCCCC[C@H](C)NCc1sc(C)nc1C 358424196 IHASRXZOOSCGDY-NSHDSACASA-N 252.427 3.984 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1 357655635 MUIJVCNLRDDJIX-HOTGVXAUSA-N 269.388 3.653 30 20 CHED C=CCOc1cccc(CN2CCS[C@H](C)[C@H]2C)c1 353841643 FGJCYWXBZKFHRT-ZIAGYGMSSA-N 277.433 3.577 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(SCC#N)c1 352518896 JUORNCZZBOAHCU-UHFFFAOYSA-N 288.416 3.634 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cc[nH]c1C(C)C 350075801 NHIUHNSQBUDMKU-UHFFFAOYSA-N 297.358 3.661 30 20 CHED CCC(CC)CC(=O)N[C@@H](C)c1cccc(C#N)c1 610726174 BMZBPIRGAINFTH-LBPRGKRZSA-N 258.365 3.562 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(-c2ccccc2)cc1 359435868 MKPWNQXWYCJMBO-UHFFFAOYSA-N 290.366 3.895 30 20 CHED N#C[C@H]1CC[C@H](NCCc2c(Cl)cccc2Cl)C1 442722378 VFVJNXWIUBCRFD-QWRGUYRKSA-N 283.202 3.818 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)c1ccc(Cl)s1 531402160 DNQVXJJLVZFAAR-SNVBAGLBSA-N 284.812 3.656 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc2c(c1)CCC(C)(C)O2 353418003 YGKHANOEVMHEAO-ZDUSSCGKSA-N 272.392 3.524 30 20 CHED N#Cc1ccc(CNCc2cccs2)cc1Cl 619748838 WHBVZENPUAAHCK-UHFFFAOYSA-N 262.765 3.563 30 20 CHED C=CC[C@H](CC)NC(=O)C1(C(F)(F)F)CCCCC1 614396547 NNIIIEOXQDSEHD-NSHDSACASA-N 277.330 3.970 30 20 CHED C=CCCC(=O)N1CCc2cccc(C(F)(F)F)c2C1 530083467 QFJRNNUCGQZLTO-UHFFFAOYSA-N 283.293 3.556 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCO[C@H](CCC)C2)CCCCC1 456368002 OLGAKQWYXWXMGY-HZPDHXFCSA-N 293.451 3.977 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@H](CCC)OC 452293132 FTMIYIOEBXLDDD-ZDUSSCGKSA-N 293.432 3.510 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCO[C@H]2c2ccccc2)cn1 267438089 YFCNZHOXZNNBJO-YJBOKZPZSA-N 293.370 3.533 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cncc(Cl)c1C 455699957 UBXKHKHPQHVRDJ-UHFFFAOYSA-N 281.787 3.767 30 20 CHED Cc1ncsc1C/N=C(\N)Nc1cccc(C(C)C)c1 262013551 VAYGTJWINRULHI-UHFFFAOYSA-N 288.420 3.502 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)CC(F)(F)F 450039423 CMUYVMAHZCRZHS-NEPJUHHUSA-N 290.329 3.507 30 20 CHED COc1cccc([C@@H]2C[C@@H](C)CN2c2cc(C#N)ccn2)c1 367269770 IRCNPWZXMHCWCI-DYVFJYSZSA-N 293.370 3.549 30 20 CHED CC(C)CCc1ccc(Nc2ccc(C#N)nn2)cc1 611240386 CWMGEZIXXXHYQC-UHFFFAOYSA-N 266.348 3.680 30 20 CHED C[C@@H]1C[C@H](CC(=O)N2CCC(CC#N)CC2)CC(C)(C)C1 542907497 KQMMOJQBODDIMU-GDBMZVCRSA-N 290.451 3.991 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 455307729 ISHMBHDNBFAQHZ-MRXNPFEDSA-N 290.382 3.508 30 20 CHED N#Cc1cccc(CN2CC[C@H]2c2cccc(F)c2)c1F 611372075 WKXXKEFFJLCVAZ-INIZCTEOSA-N 284.309 3.783 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](c1ccccc1)C1CC1)OCC 270014299 GSJKQLXHECFDDD-SJLPKXTDSA-N 287.403 3.625 30 20 CHED C=C(C)CCNC(=O)Nc1cc(C)ccc1Br 455035161 PGWKNZKUGQJCNX-UHFFFAOYSA-N 297.196 3.845 30 20 CHED Cc1c(Cl)cnc(N2CCc3sccc3C2)c1C#N 273298170 GSLMGZQDDVIICN-UHFFFAOYSA-N 289.791 3.539 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cccc(Cl)c1F 459232498 LTYGZQKSTBZPAO-UHFFFAOYSA-N 283.734 3.540 30 20 CHED C=CCCCCCN[C@@H](C)c1ccc([S@](C)=O)cc1 278820953 ILFAECZMBBARCA-LIRRHRJNSA-N 279.449 3.821 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CCC)CC(C)C 451394241 RTHYCGIEVQZHPG-OAGGEKHMSA-N 281.440 3.546 30 20 CHED CC#CCCOc1cnc2ccc(Br)cc2c1 547823441 RUEIVLPEDUYGIF-UHFFFAOYSA-N 290.160 3.790 30 20 CHED N#Cc1cccc(CCN[C@@H](C2CCCC2)C2CC2)c1 453203772 AVAGZDWRONOFEZ-SFHVURJKSA-N 268.404 3.659 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CCO[C@H](C)C1)c1ccccc1 271840285 AYDIFDBWXDGEAD-PVAVHDDUSA-N 287.403 3.625 30 20 CHED Cc1c(Cl)cnc(N2CCCC[C@H]2C(C)C)c1C#N 541272488 BKBNEJSQXWBOMF-AWEZNQCLSA-N 277.799 3.930 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 466963359 JIKYSSJRLGLBEL-ZIAGYGMSSA-N 266.429 3.809 30 20 CHED CC[C@@H](NCc1ccc(OC)cc1)c1ccc(C#N)cc1 278351065 ZCQOTHFLRKZSKJ-GOSISDBHSA-N 280.371 3.808 30 20 CHED C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1cccc(C#N)c1 461789005 YWGPJIHDLIAZCQ-ZVZYQTTQSA-N 296.414 3.843 30 20 CHED C=CCOCCNC(=O)[C@@H](CCC)c1cccc(Cl)c1 626405070 WXMKSZXFJOCGBS-HNNXBMFYSA-N 295.810 3.543 30 20 CHED C=CCCCNC(=O)Nc1ccccc1N(C)CCC 627102819 UUFOJLALEKITMO-UHFFFAOYSA-N 275.396 3.621 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 468024867 CVSCKZUPHNUUHR-OFQRWUPVSA-N 251.414 3.920 30 20 CHED C=CCCCNC(=O)N1CC(C)(C)[C@@H]1c1cccs1 288237550 AWEWXWHBXONJQB-ZDUSSCGKSA-N 278.421 3.807 30 20 CHED N#CCCN(C(=O)CC1CCCC1)c1ccc(F)cc1 551935253 XBEGVVDGJFVLQJ-UHFFFAOYSA-N 274.339 3.653 30 20 CHED N#Cc1cc[nH]c(=Nc2ccc3ccoc3c2)c1Cl 553201854 OCSYGXRPJMHFCA-UHFFFAOYSA-N 269.691 3.518 30 20 CHED N#CCOc1ccccc1-c1nc(CC2CCCCC2)no1 289022810 VDZLGIQSRYWRTP-UHFFFAOYSA-N 297.358 3.762 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2ccc(F)cc2F)CCC1 466534121 MWXHSBJEUDDUSR-ZDUSSCGKSA-N 293.357 3.857 30 20 CHED CC(C)(NC(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 559675610 PAERBWGCHGMSMW-UHFFFAOYSA-N 298.773 3.877 30 20 CHED Cc1nsc(N[C@H]2C[C@H](c3ccccc3)C2)c1C#N 553226348 KRBNCTSPPIAPST-JOCQHMNTSA-N 269.373 3.681 30 20 CHED C[C@H](CN(C)CC(C)(C)C#N)c1cccc(Cl)c1 552316791 MFSVVPKVPBDPIG-GFCCVEGCSA-N 264.800 3.925 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@H](C)c1cc(C)ccc1C 464753866 IYSNLIQKLZCTMR-ZIAGYGMSSA-N 260.381 3.580 30 20 CHED N#Cc1ccc(F)cc1CN1CCC=C(c2ccccc2)C1 551709796 ICBYDKIDJUDEDB-UHFFFAOYSA-N 292.357 3.987 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 470579060 RMJWKPLJBXEGPP-MRXNPFEDSA-N 297.402 3.743 30 20 CHED C[C@H](C#N)CNC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 556848121 MSSQESWMLXMZKX-PVAVHDDUSA-N 299.418 3.514 30 20 CHED CC[C@H](NCC(C)(C)CCC#N)c1ccccc1O 806177748 IPSLIOZFWCKUJV-AWEZNQCLSA-N 260.381 3.763 30 20 CHED C=C(C)CCc1noc(-c2ccc(C)c(NC(C)=O)c2)n1 552045611 GZCDUXPNYXTTPN-UHFFFAOYSA-N 285.347 3.512 30 20 CHED C#C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1F 809698702 FRZDPSIKBZVDLJ-FFSVYQOJSA-N 290.769 3.825 30 20 CHED C#CCCCNC[C@@H](C)c1ccc(C(F)(F)F)cc1 809624345 KSBSLTUFHNDBJZ-GFCCVEGCSA-N 269.310 3.812 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@@H](C)C1 555270692 IDLVCGBTLACOLX-KFWWJZLASA-N 290.455 3.850 30 20 CHED C=CCC(C)(C)CNC(=O)c1[nH]c(-c2ccccc2)nc1C 647120692 OZKIAAQTDNNJEM-UHFFFAOYSA-N 297.402 3.717 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1CCC(C)C 472701661 RCNXXNPZKFLZAF-HZPDHXFCSA-N 281.440 3.785 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)c(F)cc1OC 291714781 VNBXDDBVPJRIJR-AWEZNQCLSA-N 269.291 3.514 30 20 CHED C[C@@H](C#N)OCCSCCCSCc1ccccc1 802750955 IYWPEOFONLDUNJ-AWEZNQCLSA-N 295.473 3.972 30 20 CHED C[C@H](CCC#N)N[C@@H]1CCC[C@H]1Cc1ccccc1 298359300 CGYAXNYHLNUNER-HYVNUMGLSA-N 256.393 3.680 30 20 CHED N#Cc1cc2c(nc1N1CCC[C@@H]1c1cccs1)CCC2 298755965 YFAHNOLSFPYTFS-OAHLLOKOSA-N 295.411 3.845 30 20 CHED N#Cc1nc(F)ccc1OCc1cc(Cl)ccc1Cl 808047432 YATGTKRSVUQXMC-UHFFFAOYSA-N 297.116 3.978 30 20 CHED N#Cc1cc(F)ccc1COC(=O)C1(C(F)F)CCCC1 808645795 SGKTTXIZUXDDLZ-UHFFFAOYSA-N 297.276 3.566 30 20 CHED CC(C)[C@@H](CNc1cccnc1C#N)Nc1ccccc1 566041983 JSACALWDRNHWND-QGZVFWFLSA-N 280.375 3.502 30 20 CHED C=CCCCCCCNC(=O)c1ccc(CN(C)C)cc1 805218389 ZLLDTSOFGZCHDC-UHFFFAOYSA-N 288.435 3.615 30 20 CHED C#CCCCc1nc(Cc2ccc(C(C)C)cc2)no1 809291548 BMSOYMOCVCYJAS-UHFFFAOYSA-N 268.360 3.740 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H](F)c2ccccc2)cc1 803378639 SRNNNZMANNNLAD-KRWDZBQOSA-N 299.345 3.578 30 20 CHED C=CCCCCNC(=O)[C@H](CC)Oc1ccccc1C 471715190 RXLXJBXPTYWHAO-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1C 806265207 LRTTUQDLGNLZFD-AWEZNQCLSA-N 294.354 3.931 30 20 CHED C#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C(C)(C)C 807878337 LTSPKNQAIBRAKB-KKUMJFAQSA-N 289.806 3.608 30 20 CHED C=CCCCSCC(=O)N1CCC[C@H]2CCCC[C@H]21 477007112 UTXLETLHQTVDGX-HUUCEWRRSA-N 281.465 3.867 30 20 CHED CC(C)CCC(=NNc1ncccc1[N+](=O)[O-])C1CC1 802711174 NWFPCUBUHMVWEO-UHFFFAOYSA-N 276.340 3.604 30 20 CHED Cc1cccc(CC(=O)N(C)c2cccc(C#N)c2)c1Cl 569993127 ZZGVJCLVPPJTCR-UHFFFAOYSA-N 298.773 3.726 30 20 CHED Fc1cccc(C2CC(=NNCC3CCCC3)C2)c1 808006692 XWXWMGPDFNCVQJ-UHFFFAOYSA-N 260.356 3.839 30 20 CHED CCOC(=O)c1ccc(/C=C2\C(=O)c3ccccc3[C@@H]2C)o1 809155720 DOYWIQFOEVUNMD-SAIXKJTDSA-N 296.322 3.840 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)c2c(C)noc2C)n1 645629018 DADQVZRTOPKVMY-VIFPVBQESA-N 275.352 3.680 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)c1ccccc1OC 489929979 CVMVDJLTSSJRGP-UHFFFAOYSA-N 289.419 3.691 30 20 CHED c1ccc2nc(NN=C3CC[C@@H]3C3CC3)ccc2c1 814697621 VYUOZXQKEAKPSR-CYBMUJFWSA-N 251.333 3.823 30 20 CHED CC1=C(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCC1 563608753 GPQJRSIHWAFMTC-QGZVFWFLSA-N 280.371 3.552 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CCC 643221786 RRGRYKOHBPAISK-LBPRGKRZSA-N 266.410 3.634 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2cc(F)ccc2o1 566654800 PYROCBYMYGVNNJ-ZDUSSCGKSA-N 273.307 3.753 30 20 CHED C=CCCC1(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)CC1 565016199 REOQRSGCGHEGNR-GOEBONIOSA-N 269.388 3.952 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N[C@H](C#N)C(C)C 489812873 UCSFHNFPTLEQQU-SQWLQELKSA-N 284.403 3.640 30 20 CHED C=CCCCCNCCCc1ccc2c(c1)CCO2 482239345 MXZSXJAHKCYSGJ-UHFFFAOYSA-N 259.393 3.500 30 20 CHED Cc1cc(F)ccc1[C@H](C)NCc1ccc(OCC#N)cc1 815591865 SNZHIPUMBSEMOI-AWEZNQCLSA-N 298.361 3.887 30 20 CHED C=CCCCCS[C@H]1CCCN(CC(F)(F)F)C1=O 570426649 OUVHQURRXNLURU-NSHDSACASA-N 295.370 3.629 30 20 CHED Cc1cccc(CC(=O)Nc2ccc(C#N)cc2)c1Cl 489558995 WWNYXWKHFIYXMG-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CCc1cccc(C)c1NN=Cc1cn(C)nc1C(F)F 812230357 SWUIYNWQIWMMKM-UHFFFAOYSA-N 292.333 3.675 30 20 CHED CN(C)C(=S)NN=C1CCCC[C@@H]1C1CCCCC1 814844668 OLQANPFTYPNINB-CYBMUJFWSA-N 281.469 3.549 30 20 CHED CC(=NNCc1ccc(Cl)cc1Cl)c1c[nH]nc1C 814799211 ZDZGEJBBSFOUDG-UHFFFAOYSA-N 297.189 3.539 30 20 CHED CCOc1ccc(NN=C2C[C@@](C)(OC)C2(C)C)cc1 814985036 PDOJJZFQGXSDLS-MRXNPFEDSA-N 276.380 3.688 30 20 CHED C#CCON=C(C)CCc1cccc(C(F)(F)F)c1 812232922 JMRDIVDQLLJZQD-UHFFFAOYSA-N 269.266 3.664 30 20 CHED C#CC[C@@H](OC(=O)c1nsc2ccc(C)cc12)C1CC1 815975854 TWQVQGHAYGHPJI-CYBMUJFWSA-N 285.368 3.563 30 20 CHED C[C@H](NCC1(C#N)CC1)C1(c2ccccc2)CCCC1 481845857 WXMYQKPVNMVSDB-HNNXBMFYSA-N 268.404 3.780 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC[C@H]1CC(C)C 815785609 HTNGXTCRQCIWRV-LBPRGKRZSA-N 259.340 3.625 30 20 CHED CC[C@@H](C)c1ccc(OC(=O)c2ncc(C#N)cc2C)cc1 815901800 FDGHXWJEWSEHMM-GFCCVEGCSA-N 294.354 3.994 30 20 CHED C=CCC1(NC[C@@H]2CCC[C@H](CC)C2)CCOCC1 657633654 UXGUOCNNRPSHNH-JKSUJKDBSA-N 265.441 3.918 30 20 CHED C=C(C)CS[C@H](C)C(=O)NCCC1=CCCCC1 570753955 KBSPFPCYLIKCPU-CYBMUJFWSA-N 267.438 3.691 30 20 CHED CC(=NNC1CCCC1)c1[nH]c(-c2ccccc2)nc1C 727651595 HQHMUDBOILMSPG-UHFFFAOYSA-N 282.391 3.641 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@H](C)C(C)(C)C)c1 726454880 FAQODQZIEYRGFZ-GFCCVEGCSA-N 274.433 3.731 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(Cl)cc1 573366038 FOTKYHAUMLHDPN-INWMFGNUSA-N 279.811 3.972 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 822406333 INQPBLNPJVMUHG-YJBOKZPZSA-N 299.414 3.739 30 20 CHED Cc1ncoc1-c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 820912180 HUUJDNOXPBNYSS-UHFFFAOYSA-N 294.314 3.501 30 20 CHED CSc1ccc(CCCC(=O)OCC2(C#N)CC2)cc1 829624763 PNLJHOXDYWGFPY-UHFFFAOYSA-N 289.400 3.578 30 20 CHED C=CCCCC[C@@H](C)NCC1CN(C(=O)OC(C)(C)C)C1 824066785 WGEDDVCUGUKADY-CQSZACIVSA-N 296.455 3.578 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCOc2ccccc2[C@@H]1C 661123808 SCKRWGYEBSEHDC-UONOGXRCSA-N 288.391 3.506 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(OCCO)cc1 823548893 ADYOHOWGSNWHKJ-AWEZNQCLSA-N 263.381 3.605 30 20 CHED CCOCOc1cnccc1-c1ccc([C@@H](C)C#N)cc1 904882161 LWERSTBUIFFWBW-ZDUSSCGKSA-N 282.343 3.748 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNCCCc2ccccc2)o1 729146451 XVTSZPCYZBCLOK-PBHICJAKSA-N 282.387 3.959 30 20 CHED C[C@@H]1Cc2ccccc2N(Cc2ccc(F)cc2C#N)C1 729482754 MXGUGYFLQVCQFU-CYBMUJFWSA-N 280.346 3.896 30 20 CHED CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cccc(C#N)c1 903010394 LEHSEFYEFPCLOM-UHOFOFEASA-N 280.375 3.501 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@]2(C)CC2(Cl)Cl)c1 823089455 ZUTWJKNUUSRHTE-AWEZNQCLSA-N 296.197 3.605 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(C3CCCC3)cc2)n1 581826344 ZESGRXWMTNSPJV-UHFFFAOYSA-N 291.354 3.863 30 20 CHED C=CCCCCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 581410493 RUJFKKIXNOSROT-CVEARBPZSA-N 281.346 3.741 30 20 CHED CC(C)CC1(C(=O)N(C)CC(C)(C)C#N)CCCC1 497427663 NWWJGWAKSVNJQS-UHFFFAOYSA-N 264.413 3.601 30 20 CHED CCCOc1ccc(CNC(=O)CCCCCC#N)cc1 588151732 ONYNYEFYNINIAG-UHFFFAOYSA-N 288.391 3.566 30 20 CHED C#CCN(C(=S)Nc1cccc(C#C)c1)C1CCCCC1 490604735 LPDRPJARROMWHH-UHFFFAOYSA-N 296.439 3.633 30 20 CHED CCON=Cc1ccc(Oc2cccnc2)c(C)c1 732712310 APPPDLXUKBOHGT-UHFFFAOYSA-N 256.305 3.553 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1sc(C)nc1C 666286332 UQKLTQYEPLIERL-UHFFFAOYSA-N 267.398 3.626 30 20 CHED C=CCCOc1ccccc1-c1cnc(C)nc1C 906176379 DNKIGLWHIIRUBJ-UHFFFAOYSA-N 254.333 3.715 30 20 CHED N#Cc1cc(OCC[C@@H]2CCCO2)ccc1C(F)(F)F 588306478 ICOFYHVHONRNDP-NSHDSACASA-N 285.265 3.525 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C(\C)c1ccccc1Cl 735065539 DZPOTAMLJZWQLE-HCRIHEDKSA-N 263.768 3.824 30 20 CHED CCC(=NNc1ccc(F)c(F)c1)C1CCOCC1 901317628 LPXLMVUCYZAORV-UHFFFAOYSA-N 268.307 3.569 30 20 CHED Cc1[nH]c2ccccc2c(=O)c1OCCCC(C)(C)C#N 902529414 XFXMTAONBURXMT-UHFFFAOYSA-N 284.359 3.545 30 20 CHED CC(C)Cn1ncc(N[C@@H]2CCC[C@H](C#N)C2)c1C1CC1 588232842 WVNHIELBMKWBMR-DZGCQCFKSA-N 286.423 3.911 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H](C)CCC=C(C)C 581609432 CAROKLPQZJKMDZ-OAHLLOKOSA-N 262.397 3.687 30 20 CHED C=CCNC(=S)N1CCCCC[C@@H]1c1cccc(C)c1 735423140 LKVGMASZYCKCJS-MRXNPFEDSA-N 288.460 3.973 30 20 CHED C[C@H](Cc1ccccc1)CN1CCC(CCC#N)CC1 584470674 CQUFABVPUADABQ-MRXNPFEDSA-N 270.420 3.881 30 20 CHED CCCCCCCCCC(=O)N1[C@H]2CC[C@H]1COC2 838094910 RHBKQJUPKTUBGW-GJZGRUSLSA-N 267.413 3.517 30 20 CHED Cc1ccc(NN=Cc2ccc(Br)cn2)cc1 733743166 GYIFLMWOIVYFIX-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=C(Cl)CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 736240911 UNEMOFUZRZXVAA-HZPDHXFCSA-N 285.774 3.812 30 20 CHED C#CC1CCN(C(=O)Nc2cccc3ccsc23)CC1 831582839 BHEGMOBZSWCXRU-UHFFFAOYSA-N 284.384 3.778 30 20 CHED Cc1cc(Br)ccc1[C@H](C)NCC1(C#N)CC1 903109819 WEIXVFIKKXSXSC-NSHDSACASA-N 293.208 3.712 30 20 CHED Cc1cc(C)cc(N(C)C(=O)CCCCCC#N)c1 588752674 BGKIQXSOROHPFW-UHFFFAOYSA-N 258.365 3.740 30 20 CHED C=CCC1(C(=O)OC[C@H](F)C(F)(F)F)CCCC1 835400922 KPVYCOQTIOQXKX-VIFPVBQESA-N 268.250 3.567 30 20 CHED C=CCOC(=O)c1cccc(Nc2ccccc2)c1 735717438 JMOMAGLFYJPFOD-UHFFFAOYSA-N 253.301 3.773 30 20 CHED CCc1nocc1/C=C1\C(=O)c2ccccc2[C@H]1C 834441154 AZBOQENULPNJBA-DOQDJBIESA-N 253.301 3.620 30 20 CHED CC(C)(C#N)CCN1CCCC[C@H]1CC(=O)OC(C)(C)C 593094791 IANKKOZKKXVACV-AWEZNQCLSA-N 294.439 3.513 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCCC[C@@H]1CCC 590640013 IXUFMHDALGGTEY-GJZGRUSLSA-N 264.413 3.729 30 20 CHED CCC(CC)[C@@H]1C[C@@H](Nc2nc(C#N)ccc2C)CCO1 596184601 CMCOEJTWNZSEFF-HOCLYGCPSA-N 287.407 3.657 30 20 CHED CCCCCCCC(=O)N1CCC(CC(=O)OCC)CC1 913773304 PLOLVHFHSKAQCS-UHFFFAOYSA-N 297.439 3.539 30 20 CHED C=CCOC(=O)c1ccc(COc2ccccc2)cc1 916619229 HTLSZBMMIPYHKC-UHFFFAOYSA-N 268.312 3.608 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cn1)c1ccc(CC)cc1 915968987 IKFJVLSWEAORKK-UHFFFAOYSA-N 298.346 3.778 30 20 CHED C[C@]1(C(=O)[C@H](C#N)c2nc3ccccc3o2)CC=CCC1 835076338 HQQMJCFJRWUHKV-SJCJKPOMSA-N 280.327 3.750 30 20 CHED C=C1CCN(CCOc2cccc3ccccc23)CC1 594733827 ATQQIJLJTDLTQR-UHFFFAOYSA-N 267.372 3.871 30 20 CHED N#CC1(CC(=O)NCc2ccc3occc3c2)CCCCC1 597975872 NTQWCSZPDAXIFZ-UHFFFAOYSA-N 296.370 3.913 30 20 CHED N#CC1(CCOc2cccnc2Cl)CCCCC1 842031360 XQIFKMYLWZLOGS-UHFFFAOYSA-N 264.756 3.978 30 20 CHED C=CCC[C@@H](NCCC1(CSC)CC1)C1CC1 595071705 ROYLWQHHVYYYCG-CQSZACIVSA-N 253.455 3.854 30 20 CHED CCCSCc1cccc(-c2ccc(C#CCO)nc2)c1 598931376 KMQXRAXOGKVAJU-UHFFFAOYSA-N 297.423 3.736 30 20 CHED C=C(C)CONC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 846537375 LOAVGRHCVRCZKH-AWEZNQCLSA-N 290.407 3.689 30 20 CHED COCCc1ccc(-c2ccc(C)c(CC#N)c2)cc1 592985114 UCSCHQISHOBNMT-UHFFFAOYSA-N 265.356 3.917 30 20 CHED Cc1cc(-c2ccc(C#N)cc2)ccc1O[C@@H]1CCOC1 592442879 WZVJDLAAJIKNOO-QGZVFWFLSA-N 279.339 3.701 30 20 CHED C=C(C)CCOC(=O)c1ccc(-c2ccccc2)[nH]1 744304076 CMWOFNOATLLAQK-UHFFFAOYSA-N 255.317 3.805 30 20 CHED C=C[C@H](C)ONC(=O)c1ccc(Cl)c(C(F)(F)F)c1 846547832 NAVRZUFHRUWICW-ZETCQYMHSA-N 293.672 3.595 30 20 CHED CC(=O)Nc1ccc(C=NNc2ccc(Cl)cc2)cc1 916246999 SYGGIDHPDRKWRH-UHFFFAOYSA-N 287.750 3.744 30 20 CHED COc1ccc(C=Nn2cnc3ccccc32)cc1Cl 741462599 RJYFYDPIRSMVMC-UHFFFAOYSA-N 285.734 3.581 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(OC3CCC3)cc2)c1 742508860 XKDXRAZLCOFRDX-UHFFFAOYSA-N 291.350 3.852 30 20 CHED CCN(C(=O)c1ccc(C)c2ccccc12)[C@H](C)C#N 598350334 PQBJEXWSHRUBMD-CYBMUJFWSA-N 266.344 3.522 30 20 CHED CC(C)c1cccc(C[S@@](=O)CCCCC#N)c1 596038590 IGEWKBYMVAHXDQ-SFHVURJKSA-N 263.406 3.753 30 20 CHED Cc1csc(NC(=O)[C@@H]2CC3CCC2CC3)c1C#N 590993040 NQDXDSMDWDCDLK-HTAVTVPLSA-N 274.389 3.693 30 20 CHED CC1(C)CO[C@@H](c2cccc(F)c2)CN1CCCCC#N 595758912 KIOIYCXFKSXLHS-MRXNPFEDSA-N 290.382 3.671 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCC[C@@H](C)C1 741638360 AXGDKIKMCIQBSB-OLZOCXBDSA-N 289.350 3.603 30 20 CHED N#Cc1cccc(-c2cccc(C3(C#N)CCOCC3)c2)c1 592988589 KPYWMKOZQGCUEE-UHFFFAOYSA-N 288.350 3.797 30 20 CHED FC(F)SCc1ccc(C=NNCc2ccccc2)o1 916343811 ICSGTKGFIUNHAU-UHFFFAOYSA-N 296.342 3.859 30 20 CHED CC[C@H](C#N)C(=O)NCc1ccc(-c2cccc(C)c2)cc1 593481571 JJVVNAUPIMUKPG-MRXNPFEDSA-N 292.382 3.828 30 20 CHED CCC[C@H](C(=O)N(C)C[C@@H](C)C#N)c1cccc(Cl)c1 599140711 AAVZFZLMNVEIDH-WFASDCNBSA-N 292.810 3.842 30 20 CHED CCc1ccc(C=NNc2nncc3ccccc23)cc1 915910002 ZBTNLIYKJMBAOQ-UHFFFAOYSA-N 276.343 3.638 30 20 CHED Cc1cc(CN(C2CC2)[C@H](C)C#N)ccc1Br 595711124 ZYMPQNGSFVKSLG-LLVKDONJSA-N 293.208 3.634 30 20 CHED CCCCNc1ccccc1C(=O)N1CCC[C@H](CC#N)C1 597914641 HOYCBHOYNJUROU-OAHLLOKOSA-N 299.418 3.664 30 20 CHED N#Cc1ccc(N(C(=O)CCc2ccco2)C2CCC2)cc1 598883870 CYFUJXPITGPXRZ-UHFFFAOYSA-N 294.354 3.670 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)cc1 915105801 FHAPPYKKMPLICV-FLIBITNWSA-N 280.323 3.518 30 20 CHED C=C(C)CNC(=S)N[C@H]1CCCC[C@@H]1C(C)(C)C 916015745 IYKPEDKZZRCQPF-STQMWFEESA-N 268.470 3.632 30 20 CHED Cc1ccc(C)c(NC(=S)NCC(C)(C)CC#N)c1 840845356 LYYOYZQHCCOPTR-UHFFFAOYSA-N 275.421 3.530 30 20 CHED Cc1ccc(-c2nc(CN(C3CC3)[C@H](C)C#N)cs2)o1 595709308 FBDKAOQXSQQBQH-SNVBAGLBSA-N 287.388 3.588 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(C(F)(F)F)ccc1C 844552193 VPBCDFOKZYXEHY-SECBINFHSA-N 288.269 3.641 30 20 CHED CCSc1ccccc1-c1noc(CSCC#N)n1 599179058 DTRMIYXJRIOUEQ-UHFFFAOYSA-N 291.401 3.605 30 20 CHED CCCCCC[C@H](C)NN=Cc1cn2ccccc2n1 743450347 IYSJBFCRILDZJR-AWEZNQCLSA-N 272.396 3.617 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(Cl)nc2)c1 748999175 OXMMSOQGWMFERI-FNORWQNLSA-N 257.720 3.940 30 20 CHED C=CC[C@H](C)N[C@H](C)c1nc(Br)ccc1F 925433588 ZFCLGHCQOYLOMY-DTWKUNHWSA-N 287.176 3.598 30 20 CHED COc1cc(C)cc2c1OC/C(=C\c1ccc(C)cc1)C2=O 920388708 CZWZHFJGBQJZHC-XNTDXEJSSA-N 294.350 3.971 30 20 CHED CCn1cncc1C=NN[C@H](C)c1ccc(C(C)C)cc1 841620107 UCWWQFGDRWSPDH-CQSZACIVSA-N 284.407 3.711 30 20 CHED Cc1nc(Cl)cc(NN=Cc2c(C)cccc2C)n1 755742225 GUVAUHSCQHAVNH-UHFFFAOYSA-N 274.755 3.501 30 20 CHED CCCCCCCNC(=O)N(C)C[C@H](C)c1nccs1 858112476 NZJPMAUEDVUIBF-ZDUSSCGKSA-N 297.468 3.858 30 20 CHED Cc1ccc(F)c(NN=Cc2occc2Br)c1 759652536 KFRPVHRXLJNXAT-UHFFFAOYSA-N 297.127 3.936 30 20 CHED CN(C)CC1(C/N=C/c2cc(Cl)ccc2O)CCCC1 758816058 QLTLHVQYDAFCJS-VCHYOVAHSA-N 294.826 3.587 30 20 CHED C=C(C)[C@H](C)OC(=O)c1[nH]c(-c2ccccc2)nc1C 755991850 LVBYUFGVIIUEQP-LBPRGKRZSA-N 270.332 3.507 30 20 CHED C#CCN[C@H](c1cccc(F)c1)c1cccc(Cl)c1 758423157 IPAVKASSHFDAGS-INIZCTEOSA-N 273.738 3.791 30 20 CHED CCC(Cc1cccs1)=NNc1ncc(Cl)cn1 857222732 CWIPONYHFBABLJ-UHFFFAOYSA-N 280.784 3.612 30 20 CHED Clc1ccc(CON=CC2CC2)c2ncccc12 853735515 VXHFHYPNMUZUMK-UHFFFAOYSA-N 260.724 3.801 30 20 CHED C#CCCOC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 858905516 BKSGCINJPGKBEI-OAHLLOKOSA-N 296.370 3.507 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1ccc(C#N)cc1)O2 759117038 HVKGZKCYMXMTPW-RQZCQDPDSA-N 275.307 3.791 30 20 CHED C#CCN[C@@H](c1ccc(F)cc1)c1ccccc1Cl 754300678 XCSHJRXIEOFFEM-INIZCTEOSA-N 273.738 3.791 30 20 CHED C#CC[C@H](NC(=O)N[C@@H](C)C[C@@H](C)CC)c1ccccc1 757034877 LIRMPIULBJQIOQ-ZOBUZTSGSA-N 286.419 3.875 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1cccnc1Cl)O2 759116702 FABADIUTQRWUAR-ZSOIEALJSA-N 285.730 3.968 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)C(C1CC1)C1CC1 753532082 AQYYIHSKIYLPNB-UHFFFAOYSA-N 288.774 3.671 30 20 CHED CCOc1ccc(O)c(/C=N\CCCc2ccccc2)c1 920942671 AWIFYNIPQKSAHZ-RGEXLXHISA-N 283.371 3.843 30 20 CHED CC(C)c1ncc(/C=C\C(=O)c2ccc(O)cc2O)s1 758433314 HRWBOQNSXAPOGO-XQRVVYSFSA-N 289.356 3.574 30 20 CHED O=C1/C(=C\c2ccsc2)Cc2c(F)cc(F)cc21 751535989 ODRBIPUBNROFHX-OQFOIZHKSA-N 262.280 3.849 30 20 CHED N#Cc1csc(C(=O)OC[C@H]2CCCc3ccccc32)c1 752177837 FWUFFSOUQFJDGC-CQSZACIVSA-N 297.379 3.897 30 20 CHED COCCCC(C)=NOc1ccccc1C(F)(F)F 754712224 GVIXBEAHOGUABH-UHFFFAOYSA-N 275.270 3.887 30 20 CHED CN1CCc2cc(/C=C3/Cc4c(F)cccc4C3=O)ccc21 751534027 GPMJHNBMPQTRHX-UVTDQMKNSA-N 293.341 3.640 30 20 CHED N#CC1(CC(=O)OCC2(C(F)(F)F)CC2)CCCCC1 850853531 FMFILECUESJKOZ-UHFFFAOYSA-N 289.297 3.736 30 20 CHED CCc1oc2ccccc2c1C=NOCCCCOC 760348756 VGGZKWLTIIZQCS-UHFFFAOYSA-N 275.348 3.772 30 20 CHED Cc1cc(/C=C2\Oc3ccc(F)cc3C2=O)cnc1Cl 760266002 RGKFGMBLAQFVGC-ACAGNQJTSA-N 289.693 3.799 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C#N)s2)cnc1Cl 762444131 YXHPSGJJJTVUQN-RQOWECAXSA-N 288.759 3.873 30 20 CHED C#CCCCN(C1CC1)[C@@H]1CCCc2ccccc21 766912569 FHIYFQUKWLSEHG-GOSISDBHSA-N 253.389 3.942 30 20 CHED C#CCC(C)(C)C(=O)OCC(=O)c1ccc(C(C)C)cc1 767653079 PQRSCNKTMVOZSO-UHFFFAOYSA-N 286.371 3.585 30 20 CHED CCON=Cc1ccc(OCc2ccccc2)c(OC)c1 767462383 JDPDXYLKCIOWCP-UHFFFAOYSA-N 285.343 3.645 30 20 CHED CCCCCCCC(=O)OCC(=O)Nc1ccccc1 864351722 UVEFSLWLZJOYSP-UHFFFAOYSA-N 277.364 3.529 30 20 CHED CCCCCCCCC(=O)NCCc1ccco1 935769326 JDHQFUSNDLBSGU-UHFFFAOYSA-N 251.370 3.689 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N[C@@H](C)C#N 762449433 YLJORGFMFUTCCV-KBPBESRZSA-N 252.402 3.791 30 20 CHED CCOc1cccc(/C=C/C(=O)OCC(C)(C)CC#N)c1 860658558 LXJBYPSALWNIRL-CMDGGOBGSA-N 287.359 3.582 30 20 CHED CCCCCCCNC(=O)Cc1ccc(-n2cccn2)cc1 862360550 PWLUNVNZOZYTQS-UHFFFAOYSA-N 299.418 3.501 30 20 CHED FC(F)(F)CON=C1CCc2c(Cl)cccc21 764833560 ACRXLYLACFWXEJ-UHFFFAOYSA-N 263.646 3.569 30 20 CHED C=CCC[C@@H](C(=O)OCCCF)c1ccccc1 778559555 SKASSMHKXNPMEJ-CQSZACIVSA-N 250.313 3.639 30 20 CHED C[C@H](CCC#N)CNc1ccc(OC(F)(F)F)cc1 876819607 JIVZRKSXJKSQBN-SNVBAGLBSA-N 272.270 3.937 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H]1c1ccccn1 875765562 SBYQGWOUWQMGTH-INIZCTEOSA-N 289.423 3.899 30 20 CHED CC(C)(C)C[C@@H](/N=C\c1cccc(O)c1O)C(F)(F)F 777873043 GMYZOJCUDMGYRX-JSKDENIMSA-N 289.297 3.884 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1c1ccc(O)cc1 878381699 AWYUJQCBUKQCIA-HNNXBMFYSA-N 273.376 3.658 30 20 CHED C=CC(C)(C)CC(=O)NCc1cc2ccccc2o1 878248657 CMROHSLMBSETIL-UHFFFAOYSA-N 257.333 3.651 30 20 CHED CC(CC(C)(C)c1ccccc1)=NN=c1cc[nH]cc1 779810445 BBFDEWFXDWHGMS-UHFFFAOYSA-N 267.376 3.659 30 20 CHED C#C[C@H](C)NC(=O)c1cc2sc3ccccc3c2s1 775381509 KLXJXXKLDBPYQW-VIFPVBQESA-N 285.393 3.868 30 20 CHED C=C(CC)COC(=O)C[C@@H](C)c1ccccc1OC 773518614 XEMDVTDZRSRGHS-CYBMUJFWSA-N 262.349 3.698 30 20 CHED C=C(C)CON=Cc1cc(Cl)c(OCC)c(OC)c1 771654732 OXEZBJKDMWAEBG-UHFFFAOYSA-N 283.755 3.674 30 20 CHED N#CC[C@@H](OC(=O)CCC1CCCC1)c1ccco1 1123461304 AXWSVLPQDBEGLA-CQSZACIVSA-N 261.321 3.748 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2cc3ccccc3n2CC#N)C1 779265687 SEUZHXNFDDEGDT-TZMCWYRMSA-N 282.343 3.510 30 20 CHED N#Cc1ccc(C2CCN(C(=O)CC3CCCC3)CC2)cc1 887707598 SYQUUTVZICCHIW-UHFFFAOYSA-N 296.414 3.845 30 20 CHED Cc1ccc(-c2cccc(C=NNC[C@@H](C)C#N)c2)cc1 771104920 WTZWUVRFMHIACF-HNNXBMFYSA-N 277.371 3.745 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1cscn1 776193127 WFZFRGHOPPIAQG-SNAWJCMRSA-N 281.283 3.641 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc3cnccc3c2)cn1 782329415 SPWRUAVNKXPQMY-GQCTYLIASA-N 291.354 3.908 30 20 CHED Cc1ccc([C@H](NCc2ccc(C#N)cn2)C2CCCC2)o1 783294437 QSEWEJWXKFQGNM-GOSISDBHSA-N 295.386 3.876 30 20 CHED C=CCC1(O)CCN(c2cc(C)c3ccc(C)cc3n2)CC1 884723653 SRDPBNZYDPTHNA-UHFFFAOYSA-N 296.414 3.759 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc2scnc2c1 1126778472 ZENAWTIORXEPHC-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C=C[C@](C)(CC)C(=O)OCCOc1ccccc1OCC 785760963 FLGVRVDEEOVZKJ-QGZVFWFLSA-N 292.375 3.610 30 20 CHED Cc1ccccc1C1(C(=O)OCCCC(C)(C)C#N)CC1 783395584 HNDOURUWZYHZJX-UHFFFAOYSA-N 285.387 3.900 30 20 CHED CCC(=NNCCc1ccncc1)c1ccc(Cl)cc1 789085173 HXESXGCCONJZQD-UHFFFAOYSA-N 287.794 3.681 30 20 CHED CC/C(C)=C(\C)C(=O)N(CCC#N)c1ccc(F)cc1 780931761 CVFOWVANUPIITC-OUKQBFOZSA-N 274.339 3.819 30 20 CHED C=C(C)COCCN[C@H](CCC)c1ccc(OC)cc1 90451132 YQHVUFUXNFOPGG-QGZVFWFLSA-N 277.408 3.719 30 20 CHED CCC(=NNc1ncccn1)c1cccc2ccccc12 780208581 ANWQOBIYXIBCEQ-UHFFFAOYSA-N 276.343 3.856 30 20 CHED C=C(Cl)COC(=O)c1ccc(C)c(Cl)c1F 789073021 UYNJGRUEYKJQSN-UHFFFAOYSA-N 263.095 3.697 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNCc1ccc(F)c(F)c1 783827955 RBHPUQDACZKSIO-YPMHNXCESA-N 266.335 3.867 30 20 CHED C=C1CCC(C(=O)Nc2cccc3ocnc23)CC1 890156383 YNUGJTYSDPYGHR-UHFFFAOYSA-N 256.305 3.513 30 20 CHED N#Cc1c(-c2ccccc2)[nH]c2ncc(Cl)cc12 98181261 UNOBONBGGJKCED-UHFFFAOYSA-N 253.692 3.755 30 20 CHED CCn1cc(/C=C2\Cc3c(Cl)cccc3C2=O)c(C)n1 899350655 KYFGTAFVMINIAU-YRNVUSSQSA-N 286.762 3.687 30 20 CHED C#CCn1ccc(CN(CC)C[C@@H]2CCCC(C)(C)C2)n1 789762023 QNWIIFJYMJVHIL-MRXNPFEDSA-N 287.451 3.555 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(C)c1C)C(C)C 798551673 BFZRDCWGCSOGKW-MSOLQXFVSA-N 298.430 3.808 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)Cc1cccc2ccccc12 791066197 GJPBBZHGZBYOQZ-KRWDZBQOSA-N 294.398 3.783 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)CCc1ccco1 546656516 QPRJHCXWWHLDIT-GFCCVEGCSA-N 270.332 3.593 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)c1nc(C)no1 793586163 GEVQUFMUVKHIBZ-RYUDHWBXSA-N 251.374 3.554 30 20 CHED Cc1cccnc1NN=Cc1cnc(C2CCC2)s1 790185069 AMFJLVJUTCSPGM-UHFFFAOYSA-N 272.377 3.560 30 20 CHED C#C[C@H](CCC)NC(=O)C(C)(C)Cc1cccc(Cl)c1 791745884 SGVZDZQGXGEKOS-OAHLLOKOSA-N 291.822 3.827 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCc1ccccc1 187528519 AEWHDPJSWLCTHJ-UHFFFAOYSA-N 272.392 3.550 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cnc(Cl)c(C)c1 799221041 RQHWYLTURINIEU-SNVBAGLBSA-N 267.760 3.520 30 20 CHED O=C1/C(=C/c2cccnc2Cl)CCc2ccc(O)cc21 794960306 QRMQNMBBFCMEAG-DHZHZOJOSA-N 285.730 3.653 30 20 CHED COc1cccc2c1CCCC2=NNc1ncccc1C 799486229 UOSRPVUQWCXVAQ-UHFFFAOYSA-N 281.359 3.551 30 20 CHED CCCCCN(C(=O)c1ccc(C)c(C#N)c1)C(C)C 799307755 UBTGDGJBSFSQNI-UHFFFAOYSA-N 272.392 3.908 30 20 CHED CC1(C)CN(CC#Cc2ccccc2)[C@@H]2CCC[C@H]21 559432829 XSXSOURZYZYIAG-IAGOWNOFSA-N 253.389 3.549 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(C(F)(F)F)s2)c1 585819162 RCJOTMPZNWWNDL-UHFFFAOYSA-N 296.273 3.891 30 20 CHED Clc1sccc1C=NNc1nc2ccccc2[nH]1 790144361 PDVDIRLLPRKKAP-UHFFFAOYSA-N 276.752 3.724 30 20 CHED Cc1ccccc1-n1nccc1/C=C/C(=O)c1occc1C 794941692 VHWNLHGWOVTNPZ-BQYQJAHWSA-N 292.338 3.978 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(Br)c(C#N)c1 690186714 QMKWARCIHRBNOG-VIFPVBQESA-N 295.180 3.695 30 20 CHED N#CC1(OC(=O)c2cccc(C3CCC3)c2)CCC1 798840348 YVCVEMWEKZFQHM-UHFFFAOYSA-N 255.317 3.557 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(-n2ccnc2)cc1C 791459821 UWVVMOJBSBTXHB-SFHVURJKSA-N 298.386 3.826 30 20 CHED C=CC[C@@H](N[C@H]1CCCc2cccnc21)c1ccncc1 798928994 JIUYCAJEPMMIEB-SJORKVTESA-N 279.387 3.761 30 20 CHED N#CCCN(CC1CC1)C(=O)/C(F)=C/C1CCCCC1 798174522 ZJRJJRDNFOSDGT-PTNGSMBKSA-N 278.371 3.572 30 20 CHED N#Cc1cccc(C(=O)O[C@@H]2C=CCCCCC2)c1 793402590 QEQVLAJRDHQNQD-OAHLLOKOSA-N 255.317 3.604 30 20 CHED C=CCCSCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 594709849 GFYFGLYXEJCPDP-GFCCVEGCSA-N 280.393 3.555 30 20 CHED CCC(CC)N(CCOC)CCC1(C#N)CCCCC1 1167310524 VMQZTYZYPNBHOY-UHFFFAOYSA-N 280.456 3.988 30 20 CHED COc1ccc([C@@H](C)COc2cccc(C#N)c2)cc1 1307283532 PMHVMACCLLWIGN-ZDUSSCGKSA-N 267.328 3.749 30 20 CHED C[C@@H](Nc1cncc(C#N)n1)c1csc2ccccc12 1164325585 LMSMQEHCJVZLLV-SNVBAGLBSA-N 280.356 3.736 30 20 CHED C[C@H]1CCC[C@@H](OC(=O)C2(c3cccc(C#N)c3)CC2)C1 1319908018 OREHAHFJSFWISW-XJKSGUPXSA-N 283.371 3.712 30 20 CHED Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1C#N)C2 1317741614 OJXXRQXVXDJANK-MRXNPFEDSA-N 294.379 3.522 30 20 CHED CC(=NOC(C)(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 1319576804 IGAYEEVUOZTILW-NSHDSACASA-N 278.352 3.964 30 20 CHED CCNc1ccc(C#N)cc1NC[C@H]1CC1(Cl)Cl 1323492267 NJOHDWTXQGTUHK-SNVBAGLBSA-N 284.190 3.596 30 20 CHED N#Cc1cccc(-c2nnc(-c3ccc(F)c(F)c3)o2)c1 1326300770 CXMTUCXKCJUCPV-UHFFFAOYSA-N 283.237 3.553 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)c1cnn(C)c1C 1322314339 CSQPYWAZGFSATO-UONOGXRCSA-N 263.429 3.904 30 20 CHED CC(C)C#Cc1nnc([C@H](C)Oc2cccc(Cl)c2)o1 1327365644 SVQGUQJOHUNDDC-NSHDSACASA-N 290.750 3.871 30 20 CHED C[C@]12CN(Cc3ccc(C#N)cc3F)C[C@H]1[C@H]1CC[C@@H]2C1 1184057557 WOBDZWNWMGLMLE-JXSMBQFASA-N 284.378 3.565 30 20 CHED C=CCC[C@@H](Nc1ccnc(COC)n1)c1ccccc1 1336721728 LRJSXZRFFPIVPR-OAHLLOKOSA-N 283.375 3.742 30 20 CHED C=C(C)CCC(=O)N[C@H](CCc1ccccc1)C(F)F 1336035673 RFICZRMORQUNPC-CQSZACIVSA-N 281.346 3.725 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H]1CCc2ccccc21 1332363760 GWXDMPYSCRLXSK-DZGCQCFKSA-N 256.393 3.634 30 20 CHED C=C(C)CCC(=O)NCc1ccccc1COCCC 1337010912 BQDGIKUTYCMOEL-UHFFFAOYSA-N 275.392 3.586 30 20 CHED C#CC[C@H](OC(=O)c1ccsc1C(F)F)C1CC1 1347436693 CVEZAZZDBJBFRG-JTQLQIEISA-N 270.300 3.644 30 20 CHED C=C(CC)C(=O)Nc1ccccc1OCC(F)(F)F 1346251357 UXIYTNJOKYVOQE-UHFFFAOYSA-N 273.254 3.532 30 20 CHED Cc1ccc(CN(C)c2ccc(F)cc2C#N)cc1 104241276 WDEKLDKEELHLGM-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1355144087 KQJWSVQEHYJKGY-AWEZNQCLSA-N 298.430 3.776 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccnc(Cl)c1 1517595079 KLBFHVIYTDJTSC-LBPRGKRZSA-N 279.771 3.698 30 20 CHED C[C@@H](OC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 1518209608 AFJBJNYNUHLPCH-IHHFWDAISA-N 283.371 3.989 30 20 CHED CCO[C@H](CC)C(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1519365389 LEZXJZCKBFRJQL-SCRDCRAPSA-N 295.404 3.697 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(CF)cc2)c1 1528387172 QADMSLIXAWQOFW-UHFFFAOYSA-N 268.291 3.589 30 20 CHED Cc1oc(CSCCCC(C)(C)C#N)cc1C(=O)O 1608053426 RGMMNMRBBXKGLB-UHFFFAOYSA-N 281.377 3.849 30 20 CHED Cc1ccc(CC(=O)N(C)c2cccc(C#N)c2)cc1Cl 1534938969 OYXHEMFPKPNLPE-UHFFFAOYSA-N 298.773 3.726 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NCc1ccc(C#N)cc1F 1461615906 NYEIRXLFPNYCSK-DZGCQCFKSA-N 260.356 3.612 30 20 CHED N#C[C@H]1CCCN(C/C=C\c2ccc(Cl)cc2)C1 1473781608 RYFBHTIKNVTEQB-NPPUXFBVSA-N 260.768 3.589 30 20 CHED C[C@@H](NCc1cc(C#N)ccn1)c1cc(Cl)ccc1F 1473309682 QLUOPPFCXFEZTD-SNVBAGLBSA-N 289.741 3.597 30 20 CHED Cc1nc2cc(NC(=O)c3ccsc3C#N)ccc2s1 1611061440 NHZHAUHPJUBFSW-UHFFFAOYSA-N 299.380 3.790 30 20 CHED N#Cc1ccccc1COC(=O)/C=C/c1ccc(Cl)cc1 5111917 KPEPVRQYEKENHA-JXMROGBWSA-N 297.741 3.968 30 20 CHED N#Cc1nc(NC[C@H]2CCc3ccccc32)sc1Cl 1639474534 MZGYWNRHYRIHSP-SNVBAGLBSA-N 289.791 3.810 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1CCc1ccc(C#N)cc1 1560118938 HNPRHAJNPFDFPE-CQSZACIVSA-N 294.373 3.859 30 20 CHED C[C@H](C#N)CN(C)C(=O)NCC1CC(C)(C)CC(C)(C)C1 1636770046 JUKBVBLPPJILJW-CYBMUJFWSA-N 293.455 3.640 30 20 CHED N#Cc1cc(Cl)ccc1SCc1cnc(Cl)cn1 1643743264 XUIMTQMDTRBZHM-UHFFFAOYSA-N 296.182 3.947 30 20 CHED C=CCCCOc1cc([N+](=O)[O-])ccc1Br 230402058 QWQVHTSMESSXLS-UHFFFAOYSA-N 286.125 3.702 30 20 CHED C[C@H](C(=O)O)c1cccc(NCCCC(C)(C)C#N)c1 1589532714 VAIAYEPLXUSSQW-LBPRGKRZSA-N 274.364 3.617 30 20 CHED CC[C@@H]1c2ccccc2CCN1C[C@H](C)CCC#N 1663618484 QSOLJHGHTLKHRQ-RHSMWYFYSA-N 256.393 3.936 30 20 CHED CC(C)c1ccc(C(=O)/C=C/c2ccoc2C(=O)O)cc1 1591943657 OTFIKDDROGCMOS-BQYQJAHWSA-N 284.311 3.997 30 20 CHED COc1cc(C(=O)O)ccc1NN=CCCCC(C)C 1776050609 NFCFMHGZDXWEDO-UHFFFAOYSA-N 278.352 3.617 30 20 CHED O=C(O)c1ccc(NN=C/C=C\c2cccc(F)c2)cc1 1776012285 NGNKCZBXBGTJRF-RBXKEJCCSA-N 284.290 3.635 30 20 CHED CC(C)c1ccc(/C=C/C(=O)c2cncc(C(=O)O)c2)cc1 1776372435 JIAWDNRTINLASS-VMPITWQZSA-N 295.338 3.799 30 20 CHED CC[C@@H](C)[C@H](C(=O)Nc1ccc(C#N)cn1)c1ccccc1 161671401 XHYDFSIIROYYHL-DYVFJYSZSA-N 293.370 3.722 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H](C)CC1CCOCC1 162270169 TZODPRVKOIQDJU-KGLIPLIRSA-N 288.391 3.595 30 20 CHED C=CCCS[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC 151983704 MFBQCUILNBSREV-STQMWFEESA-N 293.432 3.570 30 20 CHED C=C(C)CN1CCC(N[C@@H]2c3ccccc3C[C@@H]2C)CC1 152980939 JXRXORUMKDONNU-KXBFYZLASA-N 284.447 3.550 30 20 CHED CCN(C(=O)[C@@H](C)c1cccc(F)c1)c1ccc(C#N)cc1 152306873 BWHPMKWPZOURKG-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED CC(C)OC1CCC(N[C@H](C)c2ccc(C#N)cc2)CC1 155166729 SIMIMLQAAQBRNA-RWBZWWBESA-N 286.419 3.945 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(C)ccc2O)c1 5549216 HJZNYGCOSCTBIO-VQHVLOKHSA-N 268.312 3.605 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 154264792 KQAYCPVYTJSQBE-RKDXNWHRSA-N 262.378 3.512 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C(C)C)cccc1-c1ccccn1 159517998 OEHXPLSLMQJKLI-KRWDZBQOSA-N 294.354 3.762 30 20 CHED C[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)C(C)(C)C 125232083 QDWZBYYXKAFTBW-ZIAGYGMSSA-N 274.408 3.922 30 20 CHED CC(=O)Nc1cc(NCC(C)(C)CCC#N)ccc1C 135158261 CZALZLZYJDNLEX-UHFFFAOYSA-N 273.380 3.695 30 20 CHED N#Cc1cccc(NCc2ccccc2OC(F)F)c1 19922370 QIEWHIADTCFROQ-UHFFFAOYSA-N 274.270 3.772 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 152380885 AMXIHDHPQZSXDB-AWEZNQCLSA-N 271.364 3.602 30 20 CHED C[C@H](Nc1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 37298396 JDRQUZJNVJGYRR-NSHDSACASA-N 267.288 3.640 30 20 CHED N#Cc1ccc(NCCC2=CCCCC2)c([N+](=O)[O-])c1 40417994 HJCVOGHPYYQSJN-UHFFFAOYSA-N 271.320 3.769 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)c1nnc(C)s1 297785795 GZCLXQIHBMGQGX-GFCCVEGCSA-N 273.405 3.596 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)C1CCCCC1 404110764 JNVHHYDYJSFORD-LBPRGKRZSA-N 260.356 3.756 30 20 CHED N#Cc1ccc(CN[C@H](c2cccs2)C2CC2)cc1F 404565216 ALKXKRVBEOKATH-INIZCTEOSA-N 286.375 4.000 30 20 CHED Cc1cccc(N[C@H]2CC[C@H](C#N)C2)c1Br 309719726 VMZCMQJGABXIMU-QWRGUYRKSA-N 279.181 3.862 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 316234355 PKKOWZYHMUQJDZ-QLFBSQMISA-N 276.424 3.649 30 20 CHED N#Cc1ccccc1OCCN1CCCCCCCC1 321950138 NZPOHCIWDXVLJF-UHFFFAOYSA-N 272.392 3.593 30 20 CHED CC(C)CN(CCC#N)C(=O)CCc1ccccc1Cl 701266879 WRJABZZDRURSJV-UHFFFAOYSA-N 292.810 3.671 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 556810333 CVVHMTPYCBCBQP-HRCADAONSA-N 276.424 3.744 30 20 CHED COc1cc(CN(C)Cc2sccc2C)ccc1C#N 361010278 OYOAUNRLLKNYJE-UHFFFAOYSA-N 286.400 3.569 30 20 CHED Cc1ccnc(N2CC[C@@H](C3CCCCC3)C2)c1C#N 708815406 OIHUWVURRJYKEI-OAHLLOKOSA-N 269.392 3.668 30 20 CHED CCCCCCCCCC(=O)N(C)C[C@@H]1CCC[C@@H]1O 689275619 MIOPVOGZDPTKGY-HOTGVXAUSA-N 283.456 3.747 30 20 CHED CCCCCCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 713566770 USZPLZWKJNSAHC-ZNMIVQPWSA-N 251.414 3.504 30 20 CHED N#Cc1ccc(Cl)cc1NCC1CC(F)(F)C1 383136144 DPRRIXZZXANTNU-UHFFFAOYSA-N 256.683 3.669 30 20 CHED Cc1nc(N2CC(C)(C)[C@@H]3CCC[C@@H]32)c(Cl)cc1C#N 393463315 KSUHZUCNKIFIDO-OCCSQVGLSA-N 289.810 3.930 30 20 CHED N#CCc1ccc(CSCCOC2CCC2)cc1 342117068 GKCQNUHSUMSHEH-UHFFFAOYSA-N 261.390 3.555 30 20 CHED COc1ccc(Cl)c(NC(=O)c2sccc2C#N)c1 52033059 RTWVEFHIOIFVOM-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C=C(Cl)C[S@](=O)Cc1csc(CCC(C)C)n1 101719926 DUTNOOBQFMOTBZ-QGZVFWFLSA-N 291.869 3.733 30 20 CHED Cc1nc(N2CCC[C@@H](C3CC3)C2)c(Cl)cc1C#N 461886252 QANPKCSNKRMACL-GFCCVEGCSA-N 275.783 3.542 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 119816644 CSDNQYZEENTEPG-LBPRGKRZSA-N 292.448 3.811 30 20 CHED C=CCCCC(=O)N[C@H](c1ccco1)c1ccccc1OC 178825941 BIGFTDNLYKEMFM-SFHVURJKSA-N 299.370 3.850 30 20 CHED CCCCC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 114620651 ZLGWRUALZZQDCF-LBPRGKRZSA-N 285.372 3.572 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 119119905 LWZXJFQUUQGNCZ-NEPJUHHUSA-N 299.336 3.965 30 20 CHED C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 22728962 CUMCITJWYUVEII-OOIIIRTPSA-N 284.315 3.523 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)Cc1ccco1)c1cccs1 1343902492 UFMFTFFSUDYZKF-NHYWBVRUSA-N 289.356 3.718 30 20 CHED C=CCCCOC(=O)c1ncoc1-c1ccc(C)cc1 173558041 OTSDATKMFVULTH-UHFFFAOYSA-N 271.316 3.773 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 175230008 WDKKIPHBUPWFSL-QGZVFWFLSA-N 273.376 3.619 30 20 CHED C[C@@H](CCc1cccn1C)Nc1cc(Cl)ccc1C#N 301426414 DSIZPITVHNULOY-LBPRGKRZSA-N 287.794 3.983 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCCCCc1cccs1 67145982 ILHAXWWYHMIXGE-CQSZACIVSA-N 292.448 3.859 30 20 CHED CC(C)OCCNc1ccccc1S[C@H](C)CC#N 178391571 KAWADQFTTVNFMJ-CYBMUJFWSA-N 278.421 3.918 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1cc(C#N)cs1 179911228 ZCAXCWWDTVGNPD-LBPRGKRZSA-N 268.385 3.567 30 20 CHED Cc1cccnc1[C@H](NCc1ccc(F)cc1C#N)C(C)C 120890581 XKTGKYVLKXVEFC-QGZVFWFLSA-N 297.377 3.888 30 20 CHED Cc1ccsc1CCCC(=O)N(CCC#N)CC1CC1 120514392 XKXIZPICSUKVJO-UHFFFAOYSA-N 290.432 3.532 30 20 CHED COC1(CNc2c(C#N)cnc3c(C)cc(F)cc23)CCC1 302047731 VUNUWCJZGRGOII-UHFFFAOYSA-N 299.349 3.535 30 20 CHED CC(C)OCCCN(Cc1ccc(C#N)cc1)C(C)C 171500471 GXFSSOXQDHYYFZ-UHFFFAOYSA-N 274.408 3.584 30 20 CHED Cc1cc(Cl)c(NC(=O)N[C@H](C)CC#N)cc1Cl 120018296 VQMSSAUFEOOKHC-MRVPVSSYSA-N 286.162 3.726 30 20 CHED C=CCOc1ccc(C(=O)N2CCCC[C@@H](C)C2)cc1 187089111 QMBITNKEXNPEDB-CQSZACIVSA-N 273.376 3.514 30 20 CHED N#Cc1cccc(C#N)c1NCCc1cccc(Cl)c1 302489216 YOGZZNASBYOOEX-UHFFFAOYSA-N 281.746 3.738 30 20 CHED COc1ccccc1CCCN(C)Cc1ccc(C#N)cc1 182380612 KTVMAMNAEQXOEX-UHFFFAOYSA-N 294.398 3.631 30 20 CHED CC[C@@H](C#N)SCc1ccc(OC)c(Cl)c1 188676556 OXHDYNKONYOXKL-JTQLQIEISA-N 255.770 3.884 30 20 CHED C=CCN(Cc1cncc(C)c1)Cc1cccs1 189756168 CGHLORODTGLERZ-UHFFFAOYSA-N 258.390 3.640 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C2CC2)c(C#N)cc1N(C)C 415710888 RNBKYQDPCBHJMY-UHFFFAOYSA-N 299.418 3.698 30 20 CHED COC[C@@H]1CCCCN(CCC2(C#N)CCCCC2)C1 411545637 QNRNBIUBMORDMQ-MRXNPFEDSA-N 278.440 3.599 30 20 CHED CC(C)[C@H]1CCCC[C@@H]1NCc1ccc(OCC#N)cc1 215038988 FFAWDIXRRCNLPF-MSOLQXFVSA-N 286.419 3.893 30 20 CHED N#CCCN(Cc1ccccn1)Cc1ccsc1Cl 361568360 XFGLJFBYWMWRMM-UHFFFAOYSA-N 291.807 3.712 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCCOc3ccccc32)C1 185809428 PUXSIKXMMQYGPA-SQWLQELKSA-N 270.376 3.572 30 20 CHED C=CCC1(C(=O)NCC[C@H](OCC)C2CCCC2)CCC1 188711151 ZCUGRRFJBSCVGN-INIZCTEOSA-N 293.451 3.834 30 20 CHED C=CCC1(CNC(=O)[C@@H](C)CC(F)F)CCCC1 412389261 FPCSCCMXICXHIB-NSHDSACASA-N 259.340 3.530 30 20 CHED Cc1ccccc1C1(CN[C@H]2CCC[C@@H](C#N)C2)CC1 185809206 HIPAQHKJYNAOFZ-CVEARBPZSA-N 268.404 3.699 30 20 CHED C=CCCCC(=O)Nc1ccc(CN(CC)CC)cc1 188344488 JMZMCUMRECIDFM-UHFFFAOYSA-N 274.408 3.823 30 20 CHED Cc1ccc2cc(C(=O)Nc3sccc3C#N)ccc2n1 120973397 LGKZEGYQIQGZBI-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=CC[C@@H](CC)NC(=O)c1csc(-c2cccs2)n1 410127330 LPWXNQPKBREBSB-SNVBAGLBSA-N 292.429 3.956 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(c2ncc(C#N)cc2F)C1 413179091 YRQDETHRICBRRT-MEDUHNTESA-N 299.324 3.819 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OCCC)cc1C 181631968 OGGVRNFONPWNKL-UHFFFAOYSA-N 276.380 3.824 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@@H](C#N)c1ccccc1F 410638500 DNVNLNJEHZESCY-DOMZBBRYSA-N 276.355 3.579 30 20 CHED C=C[C@H](C)N[C@@H](C)c1sccc1Br 157250784 PIDHDZFMUPKAGG-YUMQZZPRSA-N 260.200 3.736 30 20 CHED Cc1cccc([C@H](C)OC(=O)COc2ccc(C#N)cc2)c1 121729642 ULULJRBWOLYXFQ-AWEZNQCLSA-N 295.338 3.550 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2ccccc2Cl)C1 185803737 IPNIMXVWPCYTSG-GXTWGEPZSA-N 262.784 3.554 30 20 CHED C=CCCNc1ccccc1NC(=O)c1ccccc1 77245046 BWCPSCFPUUFQBC-UHFFFAOYSA-N 266.344 3.927 30 20 CHED C=CCN(C(=O)c1sccc1Br)C(C)C 70164166 DKSFUCLMFHOXMS-UHFFFAOYSA-N 288.210 3.547 30 20 CHED CCN(CCSc1ccc(Cl)cc1)C[C@@H](C)C#N 506938380 HHRQUJYVLLDRFY-LBPRGKRZSA-N 282.840 3.914 30 20 CHED CC(C)C[C@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 506083071 JSYNIGJLLXSXLE-JTQLQIEISA-N 279.771 3.768 30 20 CHED C#CCCCCC(=O)Nc1nc(Cc2ccccc2)cs1 133664205 XATLIZQAEAKBOS-UHFFFAOYSA-N 298.411 3.866 30 20 CHED COc1ccc(C#N)cc1CSc1cccc(O)c1 130993991 KCXLJCIYKMTQSL-UHFFFAOYSA-N 271.341 3.565 30 20 CHED C=CCOc1cccc(NC(=O)NCc2cccc(C)c2)c1 72025802 HYGUATMLLTWASR-UHFFFAOYSA-N 296.370 3.882 30 20 CHED C=CCSCCNC(=O)C(C)(C)c1cccc(Cl)c1 76586433 HMUUHFQGFHIBCF-UHFFFAOYSA-N 297.851 3.653 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2nncn2CC)c1 134935517 CDIUPQQWSGEALE-KRWDZBQOSA-N 298.390 3.506 30 20 CHED CC(C)c1cccc(-c2ccc(C(=O)NC[C@H](C)C#N)o2)c1 180616154 HMIIEHRNPNSEIF-CYBMUJFWSA-N 296.370 3.959 30 20 CHED Cc1cccc([C@H]2CCCCCN2C(=O)NC[C@@H](C)C#N)c1 182760109 UCXWZODOPVULTM-DOTOQJQBSA-N 299.418 3.781 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)CCCSCC#N 74991684 FMLZEQXLCMGEJL-QGZVFWFLSA-N 290.476 3.895 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N[C@H](C#N)C2CCCCC2)C1 506529280 ZZCLTDMBGMKZRB-IIAWOOMASA-N 276.424 3.791 30 20 CHED C=C[C@@H](CC(=O)NC[C@H](CC(C)C)OC)c1ccccc1 416062180 NXFCCAIUGUXTLU-RDJZCZTQSA-N 289.419 3.524 30 20 CHED CC[C@@H](C#N)OC(=O)C[C@H](c1ccccc1)C(C)C 84697872 VHQYEWWLKVNOLQ-GJZGRUSLSA-N 259.349 3.662 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1N1CCCCC1 192552021 IZEKMSJHHKHMMB-UHFFFAOYSA-N 299.418 3.883 30 20 CHED CCN(CC#N)C[C@H](C)c1ccc(C(F)(F)F)cc1 501162377 JNJNPTJWIBPHRK-NSHDSACASA-N 270.298 3.654 30 20 CHED C[C@H](O)CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 411510870 ZTBYOWPMARLTFA-LSDHHAIUSA-N 294.398 3.647 30 20 CHED Cc1nc(NC(=O)C2CCCCC2)sc1SCC#N 44789151 KCIPNQGBWIUFSK-UHFFFAOYSA-N 295.433 3.586 30 20 CHED Cc1nc(CC/N=C(/O)CCC2CCCC2)c(C)o1 328852308 VOTGIVONBMOMLE-UHFFFAOYSA-N 264.369 3.761 30 20 CHED Cc1nnc(Sc2ccc(Cl)cc2)c(C#N)c1C 40217284 OYGWDCZLMUGVSF-UHFFFAOYSA-N 275.764 3.770 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1C 43041608 NBBMYQDBDICTGI-CPUCHLNUSA-N 299.418 3.524 30 20 CHED COC[C@@H](/N=C/c1ccccc1O)c1ccc(Cl)cc1 195213206 XCDCUFIMWBLZPJ-BFERYNQYSA-N 289.762 3.852 30 20 CHED N#Cc1sc(N2CCS[C@@H]3CCCC[C@H]32)nc1Cl 287678738 CHOVEYFIUQELTQ-RKDXNWHRSA-N 299.852 3.533 30 20 CHED C#CCN(C)Cc1nc(-c2ccccc2Cl)cs1 192234657 NLCOWUKFCTUDRG-UHFFFAOYSA-N 276.792 3.529 30 20 CHED Cc1c(NC(=O)[C@H]2CCCC2(C)C)ccc(C#N)c1C#N 421553140 DEKCKGWBKAQXAR-CQSZACIVSA-N 281.359 3.503 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NCCCC2CC2)cc1 133419544 GEORPTDFDLCSBF-UHFFFAOYSA-N 285.391 3.799 30 20 CHED COc1cc(C#N)ccc1Oc1cc(C)ccc1[N+](=O)[O-] 88698736 RVWDOUDHGKBBBM-UHFFFAOYSA-N 284.271 3.576 30 20 CHED C/N=C(/O)C1CCC(/N=C(/O)C(C2CC2)C2CC2)CC1 328823911 RZAKBMPDODNALG-UHFFFAOYSA-N 278.396 3.524 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnn(-c2ccccc2F)c1 424718255 QPDVCWFUBQGZMO-UHFFFAOYSA-N 287.338 3.552 30 20 CHED COc1ccc(C#N)cc1CNc1cc(F)c(F)cc1F 130308793 DVSVSHFNZSCWEQ-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@@H](C)c1ccc2ccccc2c1 84585276 QIBJZRHURPHTBY-KGLIPLIRSA-N 280.371 3.561 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425650100 KQKBVDNEOSTQFP-GBJTYRQASA-N 291.439 3.583 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H]2CCCC[C@H]21 226107940 MICPTKZYORXJAC-NVXWUHKLSA-N 284.403 3.721 30 20 CHED N#CCc1ccccc1NC(=O)CCCc1cccs1 339174410 UJAQNSQLKNWAAR-UHFFFAOYSA-N 284.384 3.776 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C2CCCC2)C1 333628202 AOYGBYKNMQQRIT-INIZCTEOSA-N 297.402 3.911 30 20 CHED CCN(Cc1cc(C#N)n(C)c1)Cc1ccccc1Cl 191232491 KFLHEOQNUYMHLT-UHFFFAOYSA-N 287.794 3.572 30 20 CHED CC(C)C1CCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 80588602 LJNOIZSPMCOHAL-AWEZNQCLSA-N 299.418 3.697 30 20 CHED C[C@H]1CCN(C(=O)c2cc(C#N)cs2)c2ccccc21 84078323 PQOBLJRJHALODW-NSHDSACASA-N 282.368 3.774 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(OC(C)(C)C)cc1 429927690 RXXKDJMSFALXSN-UHFFFAOYSA-N 273.376 3.678 30 20 CHED CCOc1cccc(/C=C/c2ccc(C#N)cn2)c1 193448033 AIXDUNNSUCJMIM-SOFGYWHQSA-N 250.301 3.522 30 20 CHED Cc1cccc(N(C(=O)c2ccc(C#N)c(C)n2)C(C)C)c1 334339949 GZMSWSSNIXSCGR-UHFFFAOYSA-N 293.370 3.625 30 20 CHED C[C@H]1CC(CCN2CCC(F)(C#N)CC2)C[C@H](C)C1 510950195 UALDDQCRDKKVMB-ZIAGYGMSSA-N 266.404 3.776 30 20 CHED CC1CC(/N=C(/O)c2c[nH]nc2-c2ccc(Cl)s2)C1 330244831 XKBLGKABLJFTDL-UHFFFAOYSA-N 295.795 3.895 30 20 CHED N#Cc1ccccc1CN(C#N)c1ccccc1Cl 429785200 QFGXCQQWGDLLOT-UHFFFAOYSA-N 267.719 3.699 30 20 CHED CCN(Cc1cccc(Cl)c1)[C@H]1CC[C@H](C#N)C1 429707769 HLKYEGFTDSTKOG-WFASDCNBSA-N 262.784 3.854 30 20 CHED CC(C)CC[C@H]1CCCN1CCCC1(C#N)CCOCC1 337159498 RWAQRBLVDATIJR-QGZVFWFLSA-N 292.467 3.988 30 20 CHED C[C@H](C(=O)N1CCC(CC#N)CC1)c1cccc(Cl)c1 334416954 QOBRHVWAQHUGQB-LBPRGKRZSA-N 290.794 3.596 30 20 CHED OC(=Nc1cc(F)cc(Cl)c1O)[C@@H]1CCCOCC1 330216020 HKCUVUVSPMCRRH-MRVPVSSYSA-N 287.718 3.589 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 511810723 VRNUBHLSIVXPKL-MRXNPFEDSA-N 299.399 3.997 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1 334210643 GIYRQSVEWRVAAI-UHFFFAOYSA-N 286.281 3.503 30 20 CHED Cc1cc(CN(C)[C@H](C)CC#N)ccc1Oc1cccnc1 93090873 UYELKRJWPOUJBX-OAHLLOKOSA-N 295.386 3.916 30 20 CHED Cc1occc1CN[C@H]1CCCc2cc(C#N)ccc21 334923570 GEOVHLVPTOFRFS-KRWDZBQOSA-N 266.344 3.627 30 20 CHED CS[C@H]1CCC[C@H](Nc2cc(F)cc(C#N)c2)C1 235227758 JMLCBVNPHMYJSY-JSGCOSHPSA-N 264.369 3.783 30 20 CHED C=CCCOCCNc1cc(C)nc2c(OC)cccc12 339704862 JOJKTDVLGCRZKA-UHFFFAOYSA-N 286.375 3.556 30 20 CHED Cc1nc(-c2nc([C@@H]3CCCC[C@@H]3C)no2)ccc1C#N 331628230 HOVBIFKBWBXOQA-GXFFZTMASA-N 282.347 3.605 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 431853299 GLCJDORRORKEOS-WMZOPIPTSA-N 289.419 3.526 30 20 CHED CCc1cccc(Cl)c1CNCC1(CC#N)CC1 430039968 NVFPELNIHSMMDN-UHFFFAOYSA-N 262.784 3.686 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(OCC(F)(F)F)cc1 343563029 KZEIBKCVIAUOQQ-LLVKDONJSA-N 298.308 3.582 30 20 CHED CC(C)CCOCCN(Cc1ccc(C#N)cc1)C1CC1 348991905 OFESCHMEVFNEKM-UHFFFAOYSA-N 286.419 3.585 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ncccc1F 528035638 IWRBVHUDLKCZAE-MNOVXSKESA-N 287.313 3.643 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1cc(C#N)cn1C(C)(C)C 346910595 FRMVGCRYQVXRKC-OCCSQVGLSA-N 287.407 3.880 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2c(F)cccc2F)c(F)c1 435570652 OQEQUPLOWPSJBJ-MEBBXXQBSA-N 288.272 3.944 30 20 CHED CC1CCC(CC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)CC1 522645147 BTOKNAPVMIZBQS-CLKYRPBMSA-N 276.424 3.791 30 20 CHED CC(C)[C@@H](Sc1ccccc1C#N)C(=O)NC(C)(C)C 439705270 LZOPPRKFLRZSSN-CQSZACIVSA-N 290.432 3.590 30 20 CHED N#Cc1cccc(C#N)c1NCc1coc2ccccc12 432175236 GBPVWPWOILPZPJ-UHFFFAOYSA-N 273.295 3.788 30 20 CHED C=CCN(CCC#N)Cc1ccc(Oc2ccccc2)o1 430082355 DQJQMCNFNDVMOW-UHFFFAOYSA-N 282.343 3.974 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC2(C)C)cc1OC 342204491 IIPHZDBIYXKWHH-INIZCTEOSA-N 275.392 3.538 30 20 CHED C=CCN(Cc1ccn(C(F)F)n1)Cc1cccs1 347706439 PXOSHSDIGMHDBZ-UHFFFAOYSA-N 283.347 3.528 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 342364402 SLMJQOURAQHYJA-XHJNMGKDSA-N 273.376 3.587 30 20 CHED N#CCCCN[C@H]1CCC[C@@H]1c1ccccc1Cl 349659812 ZZBDGWJXVVFKTE-HIFRSBDPSA-N 262.784 3.869 30 20 CHED Cc1ccccc1[C@@H](NC[C@H](C)CCC#N)C1CC1 602546998 WBKOLWUKRSQTAO-DYVFJYSZSA-N 256.393 3.976 30 20 CHED CCc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cn1 347653565 NZYCBCXZGULGGP-UHFFFAOYSA-N 291.398 3.680 30 20 CHED Cc1c(Cl)cnc(N[C@H](C)CCc2ccco2)c1C#N 343504558 GXDRUUYLSLHELB-SNVBAGLBSA-N 289.766 3.941 30 20 CHED C=CCc1ccccc1OCc1ccc2c(c1)OCCO2 520110448 YAEJVIMFDYNALZ-UHFFFAOYSA-N 282.339 3.765 30 20 CHED C[C@@H](CCC#N)CN1CCC2(C=Cc3ccccc3O2)CC1 602725441 WWBLZQITZAAREC-INIZCTEOSA-N 296.414 3.867 30 20 CHED CCCCCOc1ccc(C(=O)N[C@H](C#N)CCC)cc1 522586179 GYMCSLHSYHWGME-HNNXBMFYSA-N 288.391 3.678 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 602614380 XZXGJIQPHCUXFT-ZHALLVOQSA-N 297.446 3.636 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2ccco2)cc1OC 255119159 MTQMJBCBFYOMQY-VURMDHGXSA-N 286.327 3.973 30 20 CHED C=CC[C@@H]1N(Cc2cnc(N(C)C)s2)CCCC1(C)C 446834425 WZFXPCAVSLVPIO-AWEZNQCLSA-N 293.480 3.776 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cc(C3CC3)ccc2F)C1 449373517 RMYHFYCWXFWUHK-MLGOLLRUSA-N 272.367 3.875 30 20 CHED C=C(C)CNC(=O)Nc1ccc2nc(C(F)F)sc2c1 352770302 QZUGSOUJFLKIPP-UHFFFAOYSA-N 297.330 3.932 30 20 CHED C[C@H](CCC#N)CNc1ccccc1OCC1CC1 602488222 RWEMUYIWEVCVPI-CYBMUJFWSA-N 258.365 3.827 30 20 CHED Cc1ccccc1CNC(=O)C[C@H](CC#N)c1ccccc1 353653627 HRWJOQMXERDKBD-KRWDZBQOSA-N 292.382 3.699 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCC[C@@H]2SCC)CC1 356311496 VSJHLXBIUPDATN-STQMWFEESA-N 267.438 3.523 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(Cl)cc(F)c1F 442189626 COSYQLPKAFGINK-SSDOTTSWSA-N 274.698 3.704 30 20 CHED C=CCOc1ccc(CN(C)[C@@H](C)C2(C)CC2)cc1OC 355078497 IGGNLXZTDSXNSI-AWEZNQCLSA-N 289.419 3.880 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC(C)(C)C1 443167633 LLHVZFLLWWZFGF-MRXNPFEDSA-N 299.418 3.668 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 612251732 RTKOWUBSVWEBCO-KYHPRHEASA-N 288.435 3.745 30 20 CHED C=CCCSc1nncn1[C@@H](C)c1ccccc1 265701729 KMWPAHBRXJLSPX-LBPRGKRZSA-N 259.378 3.556 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(F)c1SC)OCC 617274897 MRLOTCMBKYLTOD-CYBMUJFWSA-N 297.395 3.857 30 20 CHED CCN(CCC1CC1)Cc1cccc(OCCCC#N)c1 355520712 YEEBXGJDVMWRLH-UHFFFAOYSA-N 286.419 3.991 30 20 CHED C=C(C)COCCN[C@@H]1CCc2ccc(Cl)cc21 536854115 UVKGFYPMAJSQBR-OAHLLOKOSA-N 265.784 3.510 30 20 CHED C=C(C)CN(CCSC(C)C)Cc1cnn(C(C)C)c1 352901884 LQFAZLMWGXTCJR-UHFFFAOYSA-N 295.496 3.984 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccnn2C(CC)CC)C1 617782996 QYAABMPXYJIUNP-CQSZACIVSA-N 289.423 3.673 30 20 CHED N#CCCCCN[C@@H]1CCc2cc(Br)ccc21 268843890 FYBMGVSXODYCBU-CQSZACIVSA-N 293.208 3.720 30 20 CHED N#CC1(CSCc2ccn(-c3cccc(F)c3)n2)CC1 611440180 ROCSMFQWQLKLKE-UHFFFAOYSA-N 287.363 3.548 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 263648967 CQGWATBRHFGLAK-GFCCVEGCSA-N 290.411 3.623 30 20 CHED C=CCCOCCN[C@H]1c2cccc(F)c2CC[C@H]1C 537952036 NUXMTFCTFAVWRB-CXAGYDPISA-N 277.383 3.631 30 20 CHED C=C(C)[C@H](CC(=O)NC(C)(C)CC(C)(C)C)OCC 534413568 LCBKKYCPNIPUED-ZDUSSCGKSA-N 269.429 3.689 30 20 CHED C=C(CC)CN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 453370940 RIMJGCFERWRDRQ-YOEHRIQHSA-N 277.383 3.849 30 20 CHED Cc1cc(F)cc(NC(=O)N[C@H](C)c2cccc(C#N)c2)c1 610911696 HLWATIWIJYTDOW-GFCCVEGCSA-N 297.333 3.889 30 20 CHED N#CCC1(CNc2ccc(C#N)cc2C(F)(F)F)CC1 362359751 PNHFNZAFIGVABH-UHFFFAOYSA-N 279.265 3.683 30 20 CHED C=CCCOCCCCC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 539501233 CZRQRIUWDUWYQS-IXDOHACOSA-N 293.451 3.929 30 20 CHED C=CCC1(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CCCCC1 450144110 ZAXPWAIQPAEHPG-FGTMMUONSA-N 295.426 3.968 30 20 CHED C=C(CC)CN1CC[C@@H](OCCCc2ccccc2)C1 539103976 HFQDOSBXNFHANS-GOSISDBHSA-N 273.420 3.676 30 20 CHED Cc1cnc(N[C@H](CCC#N)c2ccccc2)c([N+](=O)[O-])c1 269709689 NSBYSXJTJIKJRT-CQSZACIVSA-N 296.330 3.755 30 20 CHED N#Cc1cccc(NCCOc2ccc(F)cc2Cl)c1 536701934 YHWCCAGCHHXWOU-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](c1ccccc1)C(C)C 612200838 XUDILVPLIFCFTM-INIZCTEOSA-N 272.392 3.767 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)N1CCC[C@@](C)(C#N)C1 614963383 AZZWYGXAQALGLP-KDOFPFPSSA-N 268.404 3.862 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](c2ccccc2F)C1 614398259 PMJAYNWDKOWZBF-QGZVFWFLSA-N 294.373 3.995 30 20 CHED C=C(C)CCNC(=O)N[C@@H](c1ccccc1C)C1CC1 455304269 CKRRWWVIHCPITM-MRXNPFEDSA-N 272.392 3.712 30 20 CHED CC12CC3(C)CC(C)(C1)CC(C(=O)NCCCC#N)(C2)C3 613896549 MGNDROQRPQHQHZ-UHFFFAOYSA-N 288.435 3.793 30 20 CHED C[C@@H]1CC[C@H](CC(=O)NCc2ccc(C#N)c(Cl)c2)C1 619767061 QIVQDBVNZIEXBG-NEPJUHHUSA-N 290.794 3.654 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](c2ccco2)C1 614962683 CFBQBLCTFJKYFB-XJKSGUPXSA-N 266.344 3.702 30 20 CHED CCC(CC)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 364746952 VYXMWNBCCDUJGJ-IRXDYDNUSA-N 284.403 3.721 30 20 CHED C[C@H]1C[C@H](NC(=O)Nc2cccc(CC#N)c2)CC[C@H]1C 455910146 TXQXCVWDVIXJOZ-DVOMOZLQSA-N 285.391 3.699 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1nccs1 619755226 CXFBAIGFTZYCQT-VIFPVBQESA-N 277.780 3.519 30 20 CHED CCN(Cc1ccncc1)[C@@H](C)c1cccc(C#N)c1 276056981 PNRFPUBHSSYKNG-AWEZNQCLSA-N 265.360 3.536 30 20 CHED N#Cc1ccc(S[C@@H]2CC[C@@H](C#N)C2)c(Cl)c1 278642198 VISLJPRIENDTFW-MWLCHTKSSA-N 262.765 3.996 30 20 CHED C=CCNC(=O)[C@@H](C)SC1CCC(C(F)(F)F)CC1 451034734 DXLFIWAYBUXTSR-KPPDAEKUSA-N 295.370 3.531 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC[C@@H]1c1cccs1 459227237 FRRJRCMFAWLPGI-GFCCVEGCSA-N 291.420 3.534 30 20 CHED C=CCCCC(=O)Nc1ccc2c(c1)CCCC2=O 452315666 XAUFCMZMLLPRMR-UHFFFAOYSA-N 257.333 3.500 30 20 CHED CC(C)CC1(CNC(=O)c2ccc(C#N)cc2)CCC1 362580830 OPDVNAHYPAJABR-UHFFFAOYSA-N 270.376 3.504 30 20 CHED C=CCCC1(C(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)CC1 361689647 OXSYLBQNYCAXEJ-WBVHZDCISA-N 299.414 3.721 30 20 CHED CC(C)(C)[C@@H](CC1CCCCC1)NCCOCCC#N 549929604 IHIFRGCCRVIUQO-MRXNPFEDSA-N 280.456 3.891 30 20 CHED C=CCCc1noc([C@H](C)Oc2cccc(C)c2)n1 453249591 VFPPXMFPRNHWSS-LBPRGKRZSA-N 258.321 3.637 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1sccc1C 272522779 QDSUWWOGMVBJLI-UHFFFAOYSA-N 275.373 3.520 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@H](C)[C@@H]1C 362819127 DFNGZKYTNZFLHL-STQMWFEESA-N 275.417 3.835 30 20 CHED CC1(C)CCCN(C(=O)CCCC#N)c2ccccc21 362116893 BUIGXFOCSKOHIG-UHFFFAOYSA-N 270.376 3.785 30 20 CHED C=CC[C@@H](C(=O)N(CC)Cc1ccncc1)c1ccccc1 275293114 LSPQRLLOKZYMJR-GOSISDBHSA-N 294.398 3.790 30 20 CHED N#Cc1cccnc1NCc1cc(C2CC2)ccc1F 450580157 BPVZAUJYSHDQTR-UHFFFAOYSA-N 267.307 3.582 30 20 CHED C=CC(C)(C)CNC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 458985861 JJEHZTVJXFPUDP-HZSPNIEDSA-N 264.413 3.561 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1CCCSCC#N 451151806 ZQQMSZXCHLDQMC-QJPTWQEYSA-N 294.386 3.685 30 20 CHED CCC[C@@H]1SCCN1C(=O)c1ccc(Cl)c(C#N)c1 540885087 XICRUISMGMHYPF-ZDUSSCGKSA-N 294.807 3.527 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2Cc2ccccc2)C1 274648486 SKYOFBBHPVOBPW-ZJPYXAASSA-N 268.404 3.680 30 20 CHED CCN(CC1(C#N)CCC1)[C@H](C)c1cccc(OC)c1 450283587 KCEHAGCXQRQZHM-CQSZACIVSA-N 272.392 3.772 30 20 CHED N#CCN(Cc1c(Cl)oc2ccccc12)C1CC1 271131089 KCSMPRHSWDRHBE-UHFFFAOYSA-N 260.724 3.574 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc2ccsc12 274316774 JFSBCAUAMAWNPM-INIZCTEOSA-N 286.400 3.959 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 274737547 MWXGGYVJZRPVGT-CVEARBPZSA-N 284.403 3.974 30 20 CHED N#Cc1c[nH]c2ccccc2c1=N[C@@H]1C[C@H]1Cc1ccccc1 462871124 OUALSPVQDXSFBZ-DNVCBOLYSA-N 299.377 3.571 30 20 CHED Cc1cccc(C2=CCN(c3nccc(C)c3C#N)CC2)c1 542207842 CLLLIYWKQVGMLQ-UHFFFAOYSA-N 289.382 3.864 30 20 CHED CC#CCCCC(=O)Nc1cc(C)c(C)c2ncccc12 466415821 HLVPYMOCJRLUAS-UHFFFAOYSA-N 280.371 3.984 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1CCC(F)(F)F 465243302 SIAWFGPXTHELFV-JTQLQIEISA-N 286.297 3.878 30 20 CHED C=CC[C@H](CC)N[C@@H](CC)Cc1ccc(OC)c(OC)c1 467422103 ZYJAIMZXEREZAQ-HOTGVXAUSA-N 291.435 3.969 30 20 CHED CC#CCCCC(=O)N[C@H]1CCC[C@H]1CCC(C)C 464440270 HULMMGSDEWJVRY-HOTGVXAUSA-N 263.425 3.901 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cn(CCCCC)nc1C 467981617 GFXQQPFILAYWLT-KRWDZBQOSA-N 291.439 3.600 30 20 CHED C=CCCC(=O)Nc1ccc(Cl)cc1OCC(F)F 288285040 ILIZQOWKVGYPHX-UHFFFAOYSA-N 289.709 3.889 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2c(F)cc(F)cc21 468105091 UPGWYWIZBHTNLU-MRXNPFEDSA-N 279.330 3.846 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(C#N)s1)[C@@H](C)CC 467202661 TVUAVYOGSDCMPY-QWRGUYRKSA-N 264.394 3.659 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 466128607 LUVBEILJVKPLSK-IIAWOOMASA-N 283.375 3.649 30 20 CHED CCc1occc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 281395707 HHEQEVGJLNRPIN-UHFFFAOYSA-N 298.342 3.753 30 20 CHED CC(C)c1ccoc1C(=O)Nc1ccccc1O[C@H](C)C#N 284283398 SEGRBPPWSQHIFY-GFCCVEGCSA-N 298.342 3.946 30 20 CHED C=C[C@@H](C)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 465115964 CCKDIQFXUNEZSV-DOFGZOTHSA-N 261.409 3.674 30 20 CHED C#Cc1cccc(N(CC)CCCC2(C#N)CCOCC2)c1 282092968 VLSGBYUPEAGZDG-UHFFFAOYSA-N 296.414 3.595 30 20 CHED C[C@H](N(C)C(=O)c1cc(C#N)ccc1Cl)C(C)(C)C 556777607 NMXGPMHQDPIGIW-JTQLQIEISA-N 278.783 3.718 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](C(C)C)C1 555222507 NCNCZMXHNBKDGX-HNNXBMFYSA-N 290.455 3.850 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 289689831 ICHOQUDSSIVFSB-XYPHTWIQSA-N 284.403 3.509 30 20 CHED C[C@H](O)CCCSc1nc(-c2ccccc2)ccc1C#N 475969761 BCMKNSKXKOHRCQ-ZDUSSCGKSA-N 298.411 3.873 30 20 CHED Cc1ccc(N(C)C(=O)[C@]2(C#N)CC23CCCC3)cc1C 298546003 KLQPDPPZKIVRBL-GOSISDBHSA-N 282.387 3.740 30 20 CHED N#Cc1cc(N(C#N)C[C@H]2CCCCC2(F)F)ccc1F 295928787 HBJBNMUUFNHOIO-GFCCVEGCSA-N 293.292 3.810 30 20 CHED C#CC[C@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1 297031668 UUYNECAZRLWJOG-IRXDYDNUSA-N 277.367 3.734 30 20 CHED C(=NOCc1cccc2cccnc12)c1cccs1 809811806 IQESVYXNQVSRMA-UHFFFAOYSA-N 268.341 3.847 30 20 CHED CC(C)CCC(=NNc1ccc([N+](=O)[O-])cn1)C1CC1 802710213 RKMDNIUMPFHBBF-UHFFFAOYSA-N 276.340 3.604 30 20 CHED C[C@H](NCC(C)(C)c1ccccn1)c1ccc(C#N)cc1 297368478 QGNAXSCTFCIQJO-AWEZNQCLSA-N 279.387 3.582 30 20 CHED CN(Cc1ccccc1-c1ccccc1)C(=O)C(C)(C)C#N 299696849 TWPBAXUYELHXDW-UHFFFAOYSA-N 292.382 3.862 30 20 CHED C[C@@]12CCN(c3cccc(F)c3C#N)C[C@H]1C2(Cl)Cl 804706196 QDWCSSKTHDPTAH-CHWSQXEVSA-N 299.176 3.717 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1COc2ccc(Cl)cc21 474775694 SOSVJOAGSFENKL-CQSZACIVSA-N 288.709 3.896 30 20 CHED C=CC[C@@H]1N(C(=O)COC2CCCC2)CCCC1(C)C 470304683 WDUSBSPPZXXLFP-HNNXBMFYSA-N 279.424 3.539 30 20 CHED C#C[C@@H](NC(=O)C(C)=C(C)C)c1ccc(Cl)cc1F 804422938 BKQMUMVZUDDFNW-CQSZACIVSA-N 279.742 3.626 30 20 CHED C[C@@H]1CN(CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 471049564 ZWWCJVMQAIPCAP-DNVCBOLYSA-N 292.382 3.630 30 20 CHED C=C(C)CNC(=O)CCSc1cccc(Cl)c1 561747596 DZSWQJPXDKGIQI-UHFFFAOYSA-N 269.797 3.515 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc(C#N)c(C)n2)cc1[N+](=O)[O-] 291932176 MEVQHDBJBVZDMF-LLVKDONJSA-N 296.330 3.651 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2CC)[C@@H]1SC 807963150 NTSKZPYHNLEOST-CABCVRRESA-N 278.421 3.557 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 475128841 KOUKRPLVXVOXBV-YQQAZPJKSA-N 286.419 3.614 30 20 CHED C=CCOCC(=O)OCc1ccc(C2CCCC2)cc1 808515041 HZJBNJPAKFZLNL-UHFFFAOYSA-N 274.360 3.590 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](c2cccc(C)c2)C1 294999138 RPONYQBBDXISBV-HNNXBMFYSA-N 257.377 3.523 30 20 CHED N#CC1(c2nc(C34CC5CC(CC(C5)C3)C4)no2)CCCC1 479283992 IITTVNOLPYTHHF-UHFFFAOYSA-N 297.402 3.873 30 20 CHED C#CCCOC(=O)c1sc2cc(F)ccc2c1C 805707694 XNLWYMOMVMCAFE-UHFFFAOYSA-N 262.305 3.529 30 20 CHED N#CCC[C@H](C#N)CNc1ccc(C2CCC2)cc1 564867197 ATZCULWNORJUAL-CYBMUJFWSA-N 253.349 3.810 30 20 CHED CSc1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 294438167 RVTSZTWLUWSTGF-MRXNPFEDSA-N 286.400 3.821 30 20 CHED CC(C)(C)CCC(=NNc1cccnn1)c1cscn1 807972760 VTJIXKDRSXYRCJ-UHFFFAOYSA-N 289.408 3.576 30 20 CHED C#C[C@H](NC(c1ccccc1)c1ccccc1)[C@H]1CCCO1 801545120 ZPPIYAUWDSHZJJ-RBUKOAKNSA-N 291.394 3.546 30 20 CHED CCOc1cc(C=NOC2CCC2)ccc1OC(F)F 812235705 OZHUGGWWWQXBRY-UHFFFAOYSA-N 285.290 3.590 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(COCC)cc1 488504627 LZRMPFZBXWKNEQ-INIZCTEOSA-N 288.391 3.796 30 20 CHED CC[C@H](C)N(C)CCNc1ccc(C#N)cc1C(F)(F)F 569633656 HEXLUKXWDLOEDV-NSHDSACASA-N 299.340 3.719 30 20 CHED N#Cc1ccc(C(=O)N(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)o1 814107452 ILLCWFOKLIURHN-IHRRRGAJSA-N 298.386 3.582 30 20 CHED CCC(=NNc1oc(CC(C)C)nc1C#N)c1ccco1 814820788 PKZGVLGXXIJLDU-UHFFFAOYSA-N 286.335 3.564 30 20 CHED Cc1ccc(C[C@@H](C)Nc2cccnc2C#N)c(C)c1 578944516 GVRWYDXEXXQEKU-CQSZACIVSA-N 265.360 3.613 30 20 CHED CCC(=NNc1ccc(F)c(F)c1F)c1cccc(N)c1 814945040 IVDHFRUPBSRLRV-UHFFFAOYSA-N 293.292 3.912 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1ccc(C#N)o1)C(C)(C)C 814119723 LUOFGAZUSDNUQK-INIZCTEOSA-N 296.370 3.977 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 812110359 QQJQRASCTHYMQL-GDBMZVCRSA-N 286.419 3.745 30 20 CHED C#CCCCCNC(=O)c1ccc(C2CCCC2)cc1 810525594 OBGAGCGJNOONGD-UHFFFAOYSA-N 269.388 3.878 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)OCc1ccc(C#N)cc1Cl 812635619 DNLCVNUHOOIJKX-DGCLKSJQSA-N 277.751 3.691 30 20 CHED C=CCC1(NCc2cccc(C3CC3)c2)CCOCC1 657634745 PTZPFXKCPQPJFS-UHFFFAOYSA-N 271.404 3.779 30 20 CHED CC(=NN[C@H](C)c1ccncc1)[C@H](C)c1ccccc1 819816202 HCPWIRDCTCZHHB-DZGCQCFKSA-N 267.376 3.912 30 20 CHED C=CCCCN[C@H](C)[C@@H](OC)c1ccccc1Cl 481390953 KEQHDRLGDFYCPK-IUODEOHRSA-N 267.800 3.972 30 20 CHED C=CCC1(NCc2ccc([C@H]3C[C@H]3C)o2)CCOCC1 657633527 XBUVFIYHXRXVTO-HIFRSBDPSA-N 275.392 3.618 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1ccc(C#N)c([N+](=O)[O-])c1 573497951 OMAUXYYSBIQCKL-INIZCTEOSA-N 293.326 3.874 30 20 CHED C[C@@H]1C(=NNc2ccc3ccccc3n2)CC[C@H]1CC(=O)O 814697716 ZLVGIHXYYNASBN-AAEUAGOBSA-N 297.358 3.524 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)/C=C\c1ccccc1C#N)C1CC1 729441968 JPLDYPLOJPEDAV-KOJAKUIZSA-N 296.414 3.997 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)nc1 728798893 NPDUQNGMBDSQTE-UHFFFAOYSA-N 298.345 3.982 30 20 CHED C=CCCOC(=O)C1(c2cccc(Br)c2)CC1 729072253 DWCWZYKVHODCKT-UHFFFAOYSA-N 295.176 3.600 30 20 CHED CC(=NNc1ccccc1F)c1nc2ccccc2n1C 812459574 BLBDQCANFQOXSY-UHFFFAOYSA-N 282.322 3.549 30 20 CHED FC(F)(F)c1cscc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 811646542 CPTMHBBTYTVPPD-HOTUBEGUSA-N 288.338 3.879 30 20 CHED C=C(C)C[C@H](C)c1nc(Cc2nc(C)c(C)s2)no1 578917099 LOWVSZBHJFNHMA-VIFPVBQESA-N 277.393 3.803 30 20 CHED C[C@@H]1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C[C@H]1C 573143930 HNFIMQQTDYPLQS-GQGSAGHOSA-N 268.404 3.960 30 20 CHED Cc1ncccc1C=NNCc1ccc(C(F)(F)F)cc1 728781335 RJZKLNFKOZTWTH-UHFFFAOYSA-N 293.292 3.533 30 20 CHED N#Cc1ccc(CNCc2ccc(-c3ccco3)cc2F)o1 578307484 GHNLFPZPIGPNLW-UHFFFAOYSA-N 296.301 3.840 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(C2CCC2)cc1 494797744 CFNILVGIGVAPBJ-UHFFFAOYSA-N 272.392 3.672 30 20 CHED N#Cc1csc(CNc2cccc3ccncc23)c1 131132601 GCWGDXZSUCCBFO-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(Cl)c1 490005674 PXHRJMDYQRXZJJ-UHFFFAOYSA-N 251.757 3.672 30 20 CHED C=CCN(C)C(=O)Nc1ccc(CC)c(Cl)c1 490779409 BSBDAWKOCOIWSF-UHFFFAOYSA-N 252.745 3.552 30 20 CHED C=CCCNC(=O)N(CCc1ccccc1)C1CCCC1 665946484 MXRTTWCDVSYNML-UHFFFAOYSA-N 286.419 3.759 30 20 CHED C=CC[S@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 905207928 WUEXDIZEOJZEOH-KRWDZBQOSA-N 282.714 3.794 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(OC)cccc1SC 822966814 GMXDMUVXYZLXPJ-LLVKDONJSA-N 279.405 3.958 30 20 CHED CC1(C/N=C\c2cc3ccccc3nc2O)CCCC1 731155666 OIIDJBNMCWNSNX-WQRHYEAKSA-N 268.360 3.940 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNc1nccnc1Cl 733079063 SBYZWZLTXADPGB-GHMZBOCLSA-N 280.803 3.990 30 20 CHED C[C@]1(C=NN[C@@H]2CCc3c(F)cccc32)CCCS1 835019759 AQXVDHJFYSYOLO-HUUCEWRRSA-N 278.396 3.674 30 20 CHED CC(=NNc1nc(C)cc(C)n1)[C@@H]1CCCC[C@@H]1C 834913430 ZWIVCHXOVSNFNJ-IINYFYTJSA-N 260.385 3.708 30 20 CHED Cc1ccccc1[C@H](C)C(=O)O[C@H]1CCC[C@H](C#N)C1 905928336 AZNMNBWKZCQTEI-KKUMJFAQSA-N 271.360 3.724 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 661912029 RVCFWADGPUXCMR-XMTFNYHQSA-N 296.414 3.825 30 20 CHED CCC(CC)c1nnc(NC(=O)CCCCCC#N)s1 588274595 XXJBUGFSWUIUCU-UHFFFAOYSA-N 294.424 3.854 30 20 CHED Cc1cc(Cl)cc(NC(=O)CCCCCC#N)c1O 588369613 WDWGLVKDMVBOKP-UHFFFAOYSA-N 280.755 3.767 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1csc(Cl)c1 908660363 NQGAVLKYBAPFGK-LLVKDONJSA-N 297.807 3.541 30 20 CHED CSCC1CCC(=NNc2cccc(F)n2)CC1 834978776 BTKDSIZEOABARL-UHFFFAOYSA-N 267.373 3.542 30 20 CHED CC(=NNC(=S)N[C@H]1CCCC[C@H]1C)C1CCCC1 733076228 GZHSPBYGRVXFJI-RISCZKNCSA-N 281.469 3.595 30 20 CHED CC(C)(C)Oc1ccccc1NCc1cc(C#N)ccn1 901383992 GRQOTVXKLNFHKW-UHFFFAOYSA-N 281.359 3.743 30 20 CHED C[C@H]1CC(=NNc2cccc(C(F)(F)F)c2)c2nccn21 834916696 HZLFEGGCYFEUQI-VIFPVBQESA-N 294.280 3.683 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 675934459 ZRNZYIVWIZETCU-GHMZBOCLSA-N 273.298 3.853 30 20 CHED N#CCCCCCC(=O)NCC1C2CC3CC(C2)CC1C3 588162851 KOLCAGYQSNZRAP-UHFFFAOYSA-N 288.435 3.649 30 20 CHED C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(C#N)c(F)c1 903427145 FEIJTPKLKOHNLQ-KZULUSFZSA-N 295.361 3.894 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)CCCCCC#N 588160452 SCRXQGBYHDEEEL-AEFFLSMTSA-N 298.430 3.940 30 20 CHED CCc1cc(N[C@@H](C(=O)O)c2cccc(C#N)c2)ccc1C 833671539 KNZWQHGWHGLLEC-QGZVFWFLSA-N 294.354 3.667 30 20 CHED C=CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccncc1 734652571 MZCZHUTZJLKCTA-WMLDXEAASA-N 295.386 3.759 30 20 CHED C#CC[C@@H](OC(=O)c1cc2ccsc2[nH]1)c1ccccn1 733691504 URZXZHFEXNWGHS-CQSZACIVSA-N 296.351 3.546 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1nccs1 732623198 XSOUORGJFSCRBL-UHFFFAOYSA-N 251.742 3.633 30 20 CHED C=CC(C)(C)COC(=O)c1cnc([C@@H](C)OCC)s1 835724720 OCXUMDMVDDXMNK-SNVBAGLBSA-N 283.393 3.610 30 20 CHED N#CCCCCCC(=O)NCc1cc2ccccc2o1 588151684 IQCJLRBTGSGEIA-UHFFFAOYSA-N 270.332 3.523 30 20 CHED C=CCC(CC=C)C(=O)OCC/C=C/Br 835799191 JFOMABNXNPAOON-WEVVVXLNSA-N 273.170 3.597 30 20 CHED CC1CC(C#N)(C(=O)NCc2ccc(C3CCC3)cc2)C1 581168125 PDIHAVQWLUAUPE-UHFFFAOYSA-N 282.387 3.510 30 20 CHED CCCn1cccc1C=NNc1ccc(Cl)cc1 918150877 HBUAYABEZRSTAM-UHFFFAOYSA-N 261.756 3.998 30 20 CHED CC(C)(C)n1cc(/C=C/C(=O)c2cccc(C3CC3)c2)nn1 834444878 UVIAUXOMQRHKMQ-MDZDMXLPSA-N 295.386 3.807 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CSc2ccc(F)cc2)C1 839045160 YAWSMPXZVLCZDJ-AAEUAGOBSA-N 293.363 3.543 30 20 CHED C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCCO1 594500795 SZXCPUQXRUWKCI-RHSMWYFYSA-N 286.419 3.535 30 20 CHED CCO[C@H]1CC(=NNc2ccc(C)cc2)C12CCC2 741159669 CEDQJRGTMNLUCD-HNNXBMFYSA-N 258.365 3.742 30 20 CHED Cc1cc(SCC[C@H]2COC(C)(C)O2)ccc1C#N 849925545 GNNRJQOKMFNYJN-ZDUSSCGKSA-N 277.389 3.500 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)s1)c1ccccc1 749318876 SEILRSBSTQOOGG-JTQLQIEISA-N 257.314 3.538 30 20 CHED C#C[C@@H](CCC)NC(=N)Nc1cccc(C(C)C)c1 849022054 VSHARHFQDYIQLG-AWEZNQCLSA-N 257.381 3.548 30 20 CHED CCN(C(=O)CCCCCc1cccs1)[C@@H](C)C#N 598360893 XPKWHSHOEJVMSR-ZDUSSCGKSA-N 278.421 3.612 30 20 CHED CC(=NNCc1ccc(Cl)cc1Cl)c1ccccn1 914696906 UNRIIPXQFPBPHP-UHFFFAOYSA-N 294.185 3.902 30 20 CHED CCc1cccc(CN(CCC#N)CC(C)(C)C)c1O 848886046 QVEWJLGFWSZGER-UHFFFAOYSA-N 274.408 3.716 30 20 CHED CCCCCCC[S@](=O)Cc1nnc(C(C)C)s1 841722414 NRMVTXDPXYMOEV-SFHVURJKSA-N 288.482 3.881 30 20 CHED C=C(C)CNC(=S)Nc1cc(C)c(C)cc1Cl 840785349 XTLRYEJFMFKGPX-UHFFFAOYSA-N 268.813 3.819 30 20 CHED CCCn1cccc1C=NNc1ccccc1CC 918153354 YORQJYAYXXKYKR-UHFFFAOYSA-N 255.365 3.907 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccccc1F 916248237 UIXWPWBOCCQCLO-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CC[C@@H](/N=C\c1cc2ccccc2nc1O)C1CCOCC1 746391820 BHGCEDBVOGQTKN-BKAYVGFPSA-N 298.386 3.565 30 20 CHED CC(C)c1ccc2c(c1)CN(C(=O)NCCCCC#N)CC2 595487246 GHPFGXXQSCERIB-UHFFFAOYSA-N 299.418 3.572 30 20 CHED CCCC(=NNC[C@H]1CCSC1)[C@H]1CC1(C)C 841638285 ASWPCFPNZJIJTF-VXGBXAGGSA-N 254.443 3.531 30 20 CHED C=CCCSCCNC(=O)N(C(CC)CC)C1CC1 596721312 HNNGXOSSKXKZJY-UHFFFAOYSA-N 284.469 3.658 30 20 CHED CCC(C=Nn1c(S)nnc1-c1ccc(C)cc1)CC 916306419 JLWFFDANSVJTPP-UHFFFAOYSA-N 288.420 3.812 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H]1CCC[C@@H](C)C1 748921390 GOPOFFKUKNVVDW-DOMZBBRYSA-N 271.360 3.736 30 20 CHED CCCCC(C)=NNC(=S)Nc1ccc(OCC)cc1 915926833 RDTLGHVTXKWZHI-UHFFFAOYSA-N 293.436 3.938 30 20 CHED C[C@@H](CCc1ccccc1)N1CCC[C@@H](CC#N)C1 595615905 UMDDEHDKCXDGOP-RDJZCZTQSA-N 256.393 3.633 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CCc2ccc(F)cc21 748600028 FBHIAIVHODLMGQ-OAHLLOKOSA-N 282.318 3.805 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCCC[C@H]2C)c1 844257001 ITFKDYTUOMBFIM-DOMZBBRYSA-N 272.417 3.533 30 20 CHED C#C[C@@H](OC(=O)CC[C@H](C)OC)c1ccc(Cl)cc1F 842353853 QZNXLLWBZOZCOY-IINYFYTJSA-N 298.741 3.512 30 20 CHED C#CCCOC(=O)C[C@H](C)c1ccccc1C(F)(F)F 744048795 BNQAXHKJDKMVAS-NSHDSACASA-N 284.277 3.766 30 20 CHED CC(=NOCC(C)C)c1sc(-c2cccnc2)nc1C 749627219 ZFOREQQIEVLFOV-UHFFFAOYSA-N 289.404 3.910 30 20 CHED Cc1cnc([C@H](C)/N=C\c2cc(Cl)ccc2O)s1 749931711 VFMMIGFHLPGGNQ-KLLFSAEGSA-N 280.780 3.991 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H]2CCCC[C@H]2OCC)c1 840711670 YMIZSHOVGNHYQJ-LUHQZAGKSA-N 291.391 3.558 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)Cc1cccs1 684774161 RTAJYZVDHNKZTK-YCPHGPKFSA-N 279.449 3.640 30 20 CHED C=CCC(F)(F)C(=O)NC(C)(C)Cc1ccc(C)cc1 841356038 ICAJERBQJCOIOB-UHFFFAOYSA-N 281.346 3.644 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCO[C@@H](C(C)C)C2)n1 924080474 WFAOHQIGMLVBNT-CHWSQXEVSA-N 278.396 3.842 30 20 CHED N#Cc1ccc(NN=Cc2cccc(Cl)c2F)cc1 759654156 WOTMOHVYTKVIPZ-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C=CCCONC(=O)CCc1ccc(Cl)c(Cl)c1 856031567 UWVIZSYVMAFBHZ-UHFFFAOYSA-N 288.174 3.550 30 20 CHED C=CCOc1cccc(NC(=O)/C=C2\CC[C@H](C)C2)c1 753594775 UNTGRBPKSYBCPM-UQRISPGASA-N 271.360 3.936 30 20 CHED Cc1ccoc1C(=O)/C=C\c1nc(Cl)cs1 759083145 LTOIJQVRMJHMST-IHWYPQMZSA-N 253.710 3.594 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)CC1CCCC1 756899024 MCHROUXPZWGWKF-UHFFFAOYSA-N 290.363 3.762 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)CN(C2CC2)[C@H](C)C#N)cc1 852480048 MHGPHVAXNULJSO-ZIAGYGMSSA-N 299.418 3.515 30 20 CHED CCCCCCCCNC(=O)c1cc(C(C)C)n(C)n1 754850500 PACNIAUAWQVRGF-UHFFFAOYSA-N 279.428 3.634 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(C#N)cc1 750938703 MKSIKRMRJKLTDJ-UHFFFAOYSA-N 267.307 3.842 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccco1 851100479 JMEQQMYQVJJCMP-OFFHKIPUSA-N 298.367 3.893 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N2CCC[C@@H](C#N)C2)cc1 928220801 JXCLKUGIYCFSRI-HOCLYGCPSA-N 284.403 3.505 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)c1cccs1)c1ccccc1 757598225 PAFZVVNDYLEERB-ZFWWWQNUSA-N 283.396 3.732 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 926493233 PYLPBUPCBBSJRJ-RYUDHWBXSA-N 275.352 3.574 30 20 CHED CCC(=O)c1ccc(OC(=O)c2ccc(CC#N)cc2)cc1 759745250 TWFGFIJHNQHTJK-UHFFFAOYSA-N 293.322 3.565 30 20 CHED CCCCCCCCCC(=O)NC[C@H]1CCCCO1 920349671 URDUYSJGQZUXHO-OAHLLOKOSA-N 269.429 3.812 30 20 CHED C#CCN(C(=O)c1cncc(-c2ccc(C)cc2)c1)C(C)C 928627115 KNVGPYNOQTWXAO-UHFFFAOYSA-N 292.382 3.541 30 20 CHED C[C@H](CC(=O)OCc1cc(F)ccc1C#N)c1ccco1 859814155 RTNMALSMHYGVCQ-LLVKDONJSA-N 287.290 3.527 30 20 CHED C[C@@H](Nc1cccc(Cl)c1C#N)c1ccccn1 48936038 YDICXHACSXEELF-SNVBAGLBSA-N 257.724 3.780 30 20 CHED Fc1ccc([C@@H]2CCCC2=NO[C@@H]2CCCCO2)cc1 755814679 NMRYETMNYJJRFP-GOEBONIOSA-N 277.339 3.992 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C/c1ccccc1F 851214394 PZACRUDZFVDEPY-BCPZQOPPSA-N 275.323 3.710 30 20 CHED C=CC[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(C)C2)c1ccncc1 853748738 SBJOVJBTZMPUHX-ULQDDVLXSA-N 299.418 3.671 30 20 CHED C#CCN(C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1)C1CC1 753785158 KTNPLMOSQJKFMC-IRXDYDNUSA-N 296.414 3.520 30 20 CHED Cc1cnc(CSc2ccc(Cl)cc2C#N)cn1 753832199 HCTCHDNHTDDBOU-UHFFFAOYSA-N 275.764 3.602 30 20 CHED COc1ccc(NN=C(C)c2cc(C)oc2C)cc1 750924807 MUDROSOQGQJIAJ-UHFFFAOYSA-N 258.321 3.741 30 20 CHED CCN(c1ccc(NC(=O)C2(C#N)CC(C)C2)cc1)C(C)C 757634450 HMVCGUUZCBMDTG-UHFFFAOYSA-N 299.418 3.800 30 20 CHED CN(C(=O)Nc1sccc1C#N)[C@H]1CCc2ccccc21 931845836 NMGPDFWDTDBNIU-AWEZNQCLSA-N 297.383 3.771 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(F)c(NC(=O)OC)c1 931722628 FPOQOACNQBNWMI-JTQLQIEISA-N 294.326 3.545 30 20 CHED C(=NNC1CCCC1)c1ccc(Sc2ccccn2)o1 766446979 KKOXEULFHGHLNU-UHFFFAOYSA-N 287.388 3.692 30 20 CHED CCCCCCCNC(=O)[C@]1(C#N)CC12CCCC2 862356354 WOSYQPQLIMMKNA-MRXNPFEDSA-N 262.397 3.547 30 20 CHED CCCCCCCC(C)=NNc1ncc(F)cn1 760248296 WTKZVGMNUAEZNP-UHFFFAOYSA-N 252.337 3.764 30 20 CHED Fc1cc2nc(NN=C[C@@H]3C[C@H]4CC[C@H]3C4)[nH]c2cc1F 762419940 XYTSLSKLFSZSDQ-GUBZILKMSA-N 290.317 3.675 30 20 CHED Cc1c([C@H](C)NCCCCC#N)cnn1-c1ccccc1 765731435 RQULSBGUOKKINH-AWEZNQCLSA-N 282.391 3.525 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 860825560 KWEFOOZTIRQUDA-MXASKKJJSA-N 283.371 3.724 30 20 CHED Cc1cc(C=NNc2nccc3sccc23)c(C)o1 767899614 MRNSVQGXURIWML-UHFFFAOYSA-N 271.345 3.952 30 20 CHED C=CC[C@H](NC(=O)C[C@H]1CCC[C@H]1C)c1ccncc1 769376894 PJEDLCURABEHJB-BMFZPTHFSA-N 272.392 3.641 30 20 CHED CCCCCCCCN1C(=O)[C@@H](CC)N(C2CC2)C1=O 760925689 KKPGGLHWTLSWIS-CQSZACIVSA-N 280.412 3.552 30 20 CHED C[C@H](N[C@H](C)c1ccc2c(c1)CCO2)c1cccc(C#N)c1 766349916 KZYNCKCHWCSPKM-UONOGXRCSA-N 292.382 3.905 30 20 CHED CCCCCCCCOCC(=O)N[C@H]1C=CCCC1 1116252249 DKFHLKIWQSCDGU-HNNXBMFYSA-N 267.413 3.588 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cccc(F)c1F)C(C)C 766848012 MMGCFXNXASHRGR-LLVKDONJSA-N 282.334 3.632 30 20 CHED C=CC(C)(C)CC(=O)Nc1c[nH]nc1-c1ccccc1 879226614 RQDJXYFMJQOUNU-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=CCC(CC=C)C(=O)NCc1cccc(Cl)c1F 1116261088 RUTHEYLSFXAVLS-UHFFFAOYSA-N 281.758 3.864 30 20 CHED N#Cc1cccc(COC(=O)c2cc3ccccc3[nH]2)c1F 774881779 XBWYBUYYKCZORF-UHFFFAOYSA-N 294.285 3.536 30 20 CHED Fc1cccc(Cl)c1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 774597388 PTJIUOUBULIOFQ-PKFCDNJMSA-N 266.747 3.591 30 20 CHED CCc1nc(C)c(C(C)=NOCCC(F)(F)F)s1 777458433 ACPDWTJGONBKCI-UHFFFAOYSA-N 280.315 3.707 30 20 CHED FC(F)(F)CCON=C1CCc2ccc(Cl)cc21 777456460 ZYPPWUBGOOHIIA-UHFFFAOYSA-N 277.673 3.959 30 20 CHED CCOCCON=C(CC)c1cccc(Cl)c1 774435040 RZPULDVJGMMWAN-UHFFFAOYSA-N 255.745 3.507 30 20 CHED CCC(=NOC1CCOCC1)c1cccc(Cl)c1 774478183 ZSMZDMBCIFNBIV-UHFFFAOYSA-N 267.756 3.650 30 20 CHED Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(C#N)cc1 776154542 AGXIJVMWBXRISI-HNNXBMFYSA-N 293.414 3.784 30 20 CHED CC(C)c1ccc2c(c1)CCN(C(=O)NCCCCC#N)C2 1123593463 ILVJNIUZGJWCIJ-UHFFFAOYSA-N 299.418 3.572 30 20 CHED CC(C)n1cc2c(n1)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)CCC2 774348025 IOKRBNBSULYKIR-FVQBIDKESA-N 286.423 3.513 30 20 CHED C#CCCCCCC(=O)NCc1ccccc1C(F)(F)F 779806150 DRMPSWMPFIYNDD-UHFFFAOYSA-N 297.320 3.905 30 20 CHED C#CC[C@H](NCc1cc(F)ccc1C)c1ccccc1 778105653 FDKWTXZMFSVRLS-SFHVURJKSA-N 267.347 3.988 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc([C@@H]2C[C@@H]2C)o1 773090805 KAMOIWDCANZZJP-WCQYABFASA-N 284.363 3.762 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)OCCC(C)(C)C#N 776385877 HZMWMYWNVMZPTE-INIZCTEOSA-N 287.403 3.984 30 20 CHED C=C1CCC(C(=O)N(Cc2ccco2)c2ccccn2)CC1 888177281 IDIMFYIVJBQCNO-UHFFFAOYSA-N 296.370 3.954 30 20 CHED N#Cc1c(F)cccc1OCc1ccc(CF)cc1 777539434 ROGMBXIKFZMXAK-UHFFFAOYSA-N 259.255 3.746 30 20 CHED C#CCCCCCC(=O)N[C@H](c1ncc(C)s1)C1CC1 779966984 IKYFUJOEDIPJIA-HNNXBMFYSA-N 290.432 3.603 30 20 CHED Cc1c(C(=O)OC[C@@H](C)C#N)oc2ccc(Cl)cc12 770930127 OMRYTBKQWICYOP-QMMMGPOBSA-N 277.707 3.711 30 20 CHED CCCCCCCCC(=O)N(C)C[C@@H]1CCCC[C@H]1O 778504122 KAQNGVGIHSRWJI-JKSUJKDBSA-N 283.456 3.747 30 20 CHED C=CCN(C)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 779537720 OICNOJWNSFBKRG-KGLIPLIRSA-N 266.429 3.666 30 20 CHED C=CC(C)(C)CC(=O)NC1CCC(CSC)CC1 880178988 QHAGGGSWJIDCLG-UHFFFAOYSA-N 269.454 3.627 30 20 CHED c1cnnc(NN=C2CCC3(CCCCC3)CC2)c1 786041056 UIHVCIBRBVHANR-UHFFFAOYSA-N 258.369 3.769 30 20 CHED C[C@H](ON=Cc1ccc(C(C)(C)C)cc1)c1ncccn1 882942551 GYYQXRYEKURMRV-ZDUSSCGKSA-N 283.375 3.886 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ncccc1C(F)(F)F 782286157 DFAYKCLKZLBIFJ-GFCCVEGCSA-N 285.313 3.603 30 20 CHED C=C(CC(C)C)C(=O)N1CCCC[C@H]1c1cccn1C 1123732658 ZZEVKIHAEUUSLC-INIZCTEOSA-N 274.408 3.681 30 20 CHED C=C1CCC(C(=O)NC2(c3nccs3)CCCC2)CC1 889016952 IOECDWDIIZAYDB-UHFFFAOYSA-N 290.432 3.775 30 20 CHED C#CCOc1ccccc1NCCCCOC(C)(C)C 788794974 KMKLTTKSTUPOSY-UHFFFAOYSA-N 275.392 3.706 30 20 CHED Cc1oc2ccccc2c1C=NN[C@@H]1CCOC(C)(C)C1 780246960 NCXAYRODSGMSPY-CYBMUJFWSA-N 286.375 3.622 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(C)cc1F 1461563376 HITBPMGDSMHLKB-UHFFFAOYSA-N 270.307 3.627 30 20 CHED COc1ccc(NN=C2CC(C)(C)c3ccccc32)nc1 780269990 BEBLGGPARZTVLE-UHFFFAOYSA-N 281.359 3.588 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cnc(Cl)cc1C 785878739 UFEQEFSRVBEFKS-NSHDSACASA-N 279.771 3.616 30 20 CHED Cc1cc(COC(=O)[C@H](CC#N)c2ccccc2)cs1 1129419557 LSQFLBALXXUUAP-OAHLLOKOSA-N 285.368 3.797 30 20 CHED C=CCOc1cccnc1C(=O)OCCCC(C)(C)C 781202283 NQJDNFSOEKJIGQ-UHFFFAOYSA-N 277.364 3.630 30 20 CHED Cc1nnc(C)n1N=CC1CCC(C(C)(C)C)CC1 783809933 ICEPGAHJABMCGB-UHFFFAOYSA-N 262.401 3.581 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(F)c(F)c1 785758014 RHJRNVOBSGVPRJ-CQSZACIVSA-N 254.276 3.610 30 20 CHED Oc1nc2ccccc2cc1/C=N\C[C@H]1CCCCS1 783682195 TUNHFSOZSYSULQ-AYCSXLNKSA-N 286.400 3.645 30 20 CHED COc1cc(Cl)ccc1C(=O)OCCCC(C)(C)C#N 783230763 NGIGDNYRCZLPIB-UHFFFAOYSA-N 295.766 3.835 30 20 CHED C=C[C@@H]1CCCCN1C[C@H](O)c1ccc(F)cc1Cl 785997003 JFJWBZCALAQCFQ-DOMZBBRYSA-N 283.774 3.553 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccc3c(=O)[nH]ccc3c2)C1 789084689 BPDQLXONVIRFJT-QWHCGFSZSA-N 283.375 3.752 30 20 CHED C#CCC1(C(=O)NCc2cccc(OCC)c2)CCCCC1 788161105 DLVRILGSCIBYFT-UHFFFAOYSA-N 299.414 3.675 30 20 CHED C=CCCN(C)C(=S)NC[C@@H](CC)CCCC 786090713 LAQVYMLVMFWYSY-ZDUSSCGKSA-N 256.459 3.585 30 20 CHED C#CC[C@@H](NC(=O)N(C)C(C)(C)CC)c1ccccc1 798447693 YKGPHCURFYOEOD-OAHLLOKOSA-N 272.392 3.581 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798482050 GUJCREHQCZRKCZ-GXFFZTMASA-N 298.308 3.617 30 20 CHED Cc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1C#N 799303316 FUDZVCRJSRJTDT-UHFFFAOYSA-N 270.376 3.517 30 20 CHED C#C[C@H](NC(=O)[C@@H](CC(C)C)c1ccccc1)C(C)C 799045926 XJXWSZJISOKEFZ-IRXDYDNUSA-N 271.404 3.590 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1ccc(Cl)s1 796454639 GPQQBBRWDCKROJ-UHFFFAOYSA-N 286.780 3.730 30 20 CHED C=C(C)CNC(=S)N1C[C@H](C)CC[C@@H]1c1ccccc1 795136299 MWVQQLPYRDCCOV-GDBMZVCRSA-N 288.460 3.910 30 20 CHED CC(=NNCCC(F)(F)F)C1CCC(F)(F)CC1 794553305 PBWRZGXMYYUPMI-UHFFFAOYSA-N 272.261 3.730 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1cccc(-n2cccn2)c1 799498939 FZUWVINWGGTNOR-KTKRTIGZSA-N 299.333 3.640 30 20 CHED CC(C)(C)CN(CCC#N)c1ncccc1Br 598606863 KJPQWGYEWHRAGD-UHFFFAOYSA-N 296.212 3.610 30 20 CHED C/C(=C/Cl)CSc1cc(C#N)ccc1[N+](=O)[O-] 797830576 WQCOHOUVAUZJOM-YVMONPNESA-N 268.725 3.701 30 20 CHED N#Cc1ccc(F)c(CN[C@H](c2cccnc2)C2CCC2)c1 795801336 MAONYKPXHHLDRD-SFHVURJKSA-N 295.361 3.723 30 20 CHED N#Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1 690491713 NZPRIUCDVXHCHY-UHFFFAOYSA-N 294.141 3.578 30 20 CHED C[C@H](CCC#N)N1CCc2sc(Br)cc2C1 591020029 ZWHKPACOUATTHY-SECBINFHSA-N 299.237 3.561 30 20 CHED C#C[C@H](NC(=O)CCc1ccc2ccccc2c1)C(C)C 799046777 PPELYBPUBUAHDV-SFHVURJKSA-N 279.383 3.546 30 20 CHED CCCCCCCC(=O)OCC(=O)c1ccncc1Cl 791736446 MIHSUAOWEYRYDM-UHFFFAOYSA-N 297.782 3.821 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1ncccc1F 792073889 FGQPXOADBBHILX-CQSZACIVSA-N 294.414 3.876 30 20 CHED C#C[C@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(C)C 799042661 KPZUGDJITYILLG-AAEUAGOBSA-N 295.835 3.595 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2CCC[C@H](C)C2)c1 741559128 QQAUXDQAJQWRSS-GOEBONIOSA-N 269.388 3.847 30 20 CHED CC[C@@H](C)NN=C(C)c1oc2ccc(OC)cc2c1C 790186908 CTCGBJRNYFKUGZ-SNVBAGLBSA-N 274.364 3.862 30 20 CHED CC[C@H](C)C(C)=NNc1cccc(F)c1[N+](=O)[O-] 790306684 MXZOOHGTDVUHDK-QMMMGPOBSA-N 253.277 3.568 30 20 CHED N#CC1(CNC[C@@H]2C[C@H]2c2ccccc2)CCCCC1 594981422 OZGCRFCMGQKBDM-IRXDYDNUSA-N 268.404 3.854 30 20 CHED C#CCN(C(=O)N[C@H]1CCCC[C@H]1C)C1CCCCC1 744810687 VTXMUQOENIDUFW-ZBFHGGJFSA-N 276.424 3.543 30 20 CHED N#CCOc1cccc(NC2CCC3(CC2)CC3)c1 695932093 PQTROZIFAYSCLF-UHFFFAOYSA-N 256.349 3.724 30 20 CHED Cc1ccc(C#N)c(NCC[C@H]2CCCC[C@H]2C)n1 1306970049 MOXZMOUIKFYLEX-TZMCWYRMSA-N 257.381 3.890 30 20 CHED CC1(C)CCC(C(=O)Nc2ccc(OCC#N)cc2)CC1 1319356898 KFZHCHGYZGCEAF-UHFFFAOYSA-N 286.375 3.744 30 20 CHED C[C@@H]1CC/C(=C\c2nnc(-c3ccc(C#N)cc3)o2)C1 1326972191 GSBSQKAETIKPLP-VSXLWIIGSA-N 265.316 3.812 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)c2ccc(F)cc2F)c1 1323161613 CFZUYGGZRLUPBG-NSHDSACASA-N 285.293 3.688 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCc2c(C#N)cccc21 1171345061 VAGCPCCNTZQGGA-UKRRQHHQSA-N 254.377 3.747 30 20 CHED COc1cc(-c2nnc(-c3cccc(C#N)c3)o2)ccc1C 1322585392 MRIYJZZYIYDDJR-UHFFFAOYSA-N 291.310 3.592 30 20 CHED CC1(CNC(=O)CC#Cc2ccccc2)CCCCCC1 1324929565 VVTYMODZOMUDDS-UHFFFAOYSA-N 283.415 3.905 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)/C=C\c1ccc(Cl)cc1 1338328970 OMZLUUBUGCLGLF-YHAOYDPOSA-N 276.767 3.504 30 20 CHED C=C(C)CCC(=O)Nc1cccc(COCC2CC2)c1 1338805704 VRKISWBLWBBQCJ-UHFFFAOYSA-N 273.376 3.908 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)CC(C)C)nc2ccccc12 1198612246 CMVNHLMGPYWNLU-GOSISDBHSA-N 295.386 3.601 30 20 CHED C=CCCC(C)(C)NC(=O)CSCc1csc(C)n1 1261775591 NAOHUFXOIAXOOS-UHFFFAOYSA-N 298.477 3.546 30 20 CHED C=C(C)CCC(=O)Nc1nc(C)c(C(F)(F)F)s1 1349680017 ZERPZKKGTNMXJR-UHFFFAOYSA-N 278.299 3.765 30 20 CHED CC1(C)C[C@H](C(=O)O[C@H]2CC[C@H](C#N)C2)c2ccccc2O1 1347216683 GGSDVIFLUIGMSU-YDHLFZDLSA-N 299.370 3.567 30 20 CHED C[C@]1(c2nnc(COc3ccccc3C#N)o2)CC=CCC1 1349963525 ATDMVWVPGUTZQI-KRWDZBQOSA-N 295.342 3.518 30 20 CHED C=C(C)CCC(=O)NCc1cccc(CSC)c1 1262620229 WXRMIRARCRSUFP-UHFFFAOYSA-N 263.406 3.522 30 20 CHED CSCCCCCNC1CC(C#N)(c2ccccc2)C1 219254584 PRHRBCUPGQTJTI-UHFFFAOYSA-N 288.460 3.733 30 20 CHED N#Cc1cc(Cl)ccc1S[C@@H]1CCSC1 1458968288 JODCZLOXEJYXRK-SNVBAGLBSA-N 255.795 3.809 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1CCSc2ccccc21 1527391319 KKNZIWMUEBYIQP-CQSZACIVSA-N 275.417 3.942 30 20 CHED Cc1ccc(F)cc1[C@@H](C)OC(=O)Cc1ccc(C#N)cc1 1458492888 VMFDATBZUOGHJA-CYBMUJFWSA-N 297.329 3.853 30 20 CHED N#Cc1ccc(OCc2cnc(-c3ccccc3)nc2)cc1 1458808313 AASBMFTXBSIMNT-UHFFFAOYSA-N 287.322 3.594 30 20 CHED Cc1cc(Cl)cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1 1528082142 UXMGXLWGLPATIP-FZMZJTMJSA-N 277.751 3.888 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1c(C)cccc1C 1521711576 NQLFEODCUYBRAP-UHFFFAOYSA-N 292.338 3.630 30 20 CHED COc1ccc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)cc1C#N 1532697404 WPKSKYXVYYSAID-QLPKVWCKSA-N 298.386 3.722 30 20 CHED C[C@@H](CC(=O)Nc1ccc(Cl)cc1C#N)c1ccco1 1538947380 DYVRDTHFLRJNBI-JTQLQIEISA-N 288.734 3.937 30 20 CHED Cc1c(Cl)cccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1535478534 FLTONBUPPJSLMX-NWDGAFQWSA-N 277.751 3.888 30 20 CHED CCc1ccc2c(c1)CCN2c1ncc(C#N)cc1Cl 1472899479 VRLKHYQXPWSQFB-UHFFFAOYSA-N 283.762 3.863 30 20 CHED COc1cccc(COC(=O)c2cccc(C#N)c2C)c1C 1617589017 WDGQXZUADNGEAE-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CCCC(CCC)C(=O)Nc1ccc(OCC#N)cc1 228447339 MUXWGPPSDQBYDV-UHFFFAOYSA-N 274.364 3.744 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1cc(C2CC2)ncn1 1639619127 LXDIHELJDLOTDV-UHFFFAOYSA-N 292.386 3.642 30 20 CHED Cc1cc(C#N)nc(NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 1642172530 JVENMKJXCLFDQM-IVMMDQJWSA-N 286.423 3.777 30 20 CHED Cc1cc(C#N)cc(NC(=O)CNc2cccc(Cl)c2)c1 1642592513 QBZNPUDEDBWXPD-UHFFFAOYSA-N 299.761 3.571 30 20 CHED COc1cc(Cl)ccc1CNc1cc(C)c(C#N)cn1 1650762393 RQUWNTLYJHYFTQ-UHFFFAOYSA-N 287.750 3.536 30 20 CHED CCCC[C@H](C(=O)N1CCc2cc(C#N)ccc21)C(C)C 1597102625 JWZWBYJFQIABKZ-INIZCTEOSA-N 284.403 3.910 30 20 CHED Cc1c(NN=CCCCC(C)C)cccc1C(=O)O 1776088796 JFVJVTRFZBHICF-UHFFFAOYSA-N 262.353 3.917 30 20 CHED C=CCc1cccc(CN(CC(=O)O)C2CCCCC2)c1 1776189371 SMSWLFVFKVVOLO-UHFFFAOYSA-N 287.403 3.634 30 20 CHED Cc1cc(CSc2ccc(C#N)cc2Cl)no1 163340512 ZJZZSEKZBUUIKJ-UHFFFAOYSA-N 264.737 3.800 30 20 CHED C[C@@H](Nc1nc(Cl)cs1)c1ccc(C#N)cc1 164988036 KWNFXXVRVOBRRU-MRVPVSSYSA-N 263.753 3.841 30 20 CHED CCN(C(=O)[C@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 152263519 KFMINZCEMFQWFU-HIFRSBDPSA-N 270.376 3.737 30 20 CHED CCN(CC)/C(N)=N/CCc1ccc(-c2ccccc2)cc1 153252985 ZSLUZVXNJMZIHT-UHFFFAOYSA-N 295.430 3.553 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 153739731 GLYYFEOQBWAIKS-LBPRGKRZSA-N 291.354 3.681 30 20 CHED C=CCCCCCN(C)C(=O)C[C@@H](C)c1c(C)noc1C 155636786 OIOUVKSTYBLOJQ-CYBMUJFWSA-N 292.423 3.990 30 20 CHED N/C(=N\OCCCCC(F)(F)F)C1CCCCC1 154266823 RBCUMTXHYAQOER-UHFFFAOYSA-N 266.307 3.588 30 20 CHED C#Cc1cccc(NC(=O)N(C)CCCCCC=C)c1 157958130 IITALVKVWYERHR-UHFFFAOYSA-N 270.376 3.878 30 20 CHED CC(C)[C@@H](NCc1ccc(C#N)o1)c1ccccc1 135135225 BDRMKKYJCDQZNI-MRXNPFEDSA-N 254.333 3.638 30 20 CHED C#CCCCCNCc1ccc(OC)c2ccccc12 150737262 AHVUANLAFQNWSO-UHFFFAOYSA-N 267.372 3.742 30 20 CHED C[C@@H](CCc1ccco1)N[C@H](C)c1cccc(C#N)c1 37232965 JQNRAEGPKUBDTL-UONOGXRCSA-N 268.360 3.823 30 20 CHED CC[C@H](CNc1nccc(C)c1C#N)CC(F)(F)F 402723714 YSHDKIIBBSHAQW-JTQLQIEISA-N 271.286 3.652 30 20 CHED C=C(C)CCN(CC)[C@H]1CCN(Cc2ccccc2)C1 509620188 SNSRMLYRXRZLSO-SFHVURJKSA-N 272.436 3.549 30 20 CHED C[C@@H](CNc1cc(C#N)sc1[N+](=O)[O-])CC(F)(F)F 407220112 LRQNKKLCYFZNPS-ZCFIWIBFSA-N 293.270 3.528 30 20 CHED C=CCCN(C)Cc1cc(F)cc(Br)c1 467291925 QKMFGSODAOJRHY-UHFFFAOYSA-N 272.161 3.596 30 20 CHED CCC[C@@H](NCc1cccc(OCC#N)c1)C1CCC1 324958789 WKCUFSMYJUIYMZ-QGZVFWFLSA-N 272.392 3.647 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C)sc2C)c1 701337362 RYXRPQNBEDGUFX-UHFFFAOYSA-N 270.357 3.797 30 20 CHED CC1(C)CCC[C@@H]1N(CCC#N)Cc1ccccc1 426820489 ZEZMXJHUPRCWAS-INIZCTEOSA-N 256.393 3.981 30 20 CHED C=C(C)CN(CCOC1CCC1)Cc1ccccc1 572020291 CVEFSBJKCAMXAN-UHFFFAOYSA-N 259.393 3.634 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC)c(OCC)c1 341495041 OJVRTYFGCNZAHV-AWEZNQCLSA-N 263.381 3.538 30 20 CHED CCS[C@H]1CC[C@@H](N(C)c2nccc(C#N)c2Cl)C1 342441945 QBVVVXPGCMHTMB-NEPJUHHUSA-N 295.839 3.717 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cc(OC)ccc1OC 384904732 BTPZIUWYHAPKBS-GFCCVEGCSA-N 263.381 3.567 30 20 CHED CCCCCCC[C@H](C)NCc1nnc(CC)s1 391794808 ZKAYQQXPTQPYMO-LBPRGKRZSA-N 269.458 3.939 30 20 CHED CCCCCCC[C@@H](C)NCC1([S@](C)=O)CCC1 393697613 CHOFDBRAGAWNSK-KDOFPFPSSA-N 273.486 3.626 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccccc1CC(=O)O 833376143 OLPZJYWPOGIHIP-UHFFFAOYSA-N 295.382 3.502 30 20 CHED CC(=NNCc1ccccc1)c1ccc(O)c(Cl)c1 768770080 YVCYFMVOUXTQQI-UHFFFAOYSA-N 274.751 3.559 30 20 CHED Cc1ccc(C(=O)OCc2cccc(C#N)c2)cc1C 4846507 WJRJXZWXMUCEME-UHFFFAOYSA-N 265.312 3.532 30 20 CHED Cc1ccc(/N=C2\NN=C(c3ccc(F)cc3)CS2)cc1 7849333 ZXICSMUNKUJQAO-UHFFFAOYSA-N 299.374 3.862 30 20 CHED C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 107318354 IOOJPMBVPJVKBE-CABCVRRESA-N 280.371 3.828 30 20 CHED N#CCCSc1ccccc1NC(=O)CC(F)(F)F 108200063 XUGJKAYTHJLUSZ-UHFFFAOYSA-N 288.294 3.583 30 20 CHED C[C@@H](CC(=O)Nc1sccc1C#N)c1ccc(F)cc1 59850914 ADNIDABZILVWNR-JTQLQIEISA-N 288.347 3.891 30 20 CHED C=CCCCC(=O)N(Cc1ccco1)CC(F)(F)F 177786998 VLFDVZCUGVGNNM-UHFFFAOYSA-N 275.270 3.527 30 20 CHED CC[C@H](C)Oc1ccccc1/C=C/C(=O)OCCCC#N 171488230 NCJHEODMLZIIAB-VNDWYCCKSA-N 287.359 3.724 30 20 CHED CCc1cc(Oc2ccnc(C#N)c2)ccc1Cl 61815404 ISWAGADAXDUTAF-UHFFFAOYSA-N 258.708 3.961 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 179941231 GECNYNPGZLVIQF-OLZOCXBDSA-N 279.811 3.990 30 20 CHED CCn1cc(/C=C/C(=O)c2ccccc2C(F)(F)F)cn1 111998087 DCIPGFAOGCBXSM-BQYQJAHWSA-N 294.276 3.818 30 20 CHED CSc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)o1 112228579 SAZCRTRFXUISGW-UHFFFAOYSA-N 292.747 3.779 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 175616165 CLWWWOJRLMMRTM-GFCCVEGCSA-N 291.354 3.539 30 20 CHED N#Cc1csc(C(=O)Oc2c(F)cccc2Cl)c1 179944757 ZJHWEINBTSSDAG-UHFFFAOYSA-N 281.695 3.631 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccccc1C 60677803 YRBVAZIBNDHWRA-UHFFFAOYSA-N 271.385 3.885 30 20 CHED C#CCC1(C(=O)N(C)[C@H]2CC[C@H](SC)C2)CCCCC1 1343482119 XDOXLXUIEKXEGZ-GJZGRUSLSA-N 293.476 3.703 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2ccc(OCC#N)cc2)o1 20126437 JMEFOKTXZDKELK-MLGOLLRUSA-N 282.343 3.917 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@@H]1Nc1ccc(C#N)nn1 302187049 VUUVYBPOHWNDGT-MAUKXSAKSA-N 292.386 3.720 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)Cc1ccc(C)cc1C 303341978 LTLJHVNLKQVTCL-MRXNPFEDSA-N 286.419 3.618 30 20 CHED CCS[C@H]1CCCCN(c2c(C#N)cccc2C#N)C1 302430292 LADAUAOANGHGCA-HNNXBMFYSA-N 285.416 3.542 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 26003761 IJMBGXXSHWFVPB-WBMJQRKESA-N 281.380 3.742 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 175870127 HOXPSTCPOLOUFO-HOTGVXAUSA-N 274.433 3.712 30 20 CHED N#CCc1cccc(N[C@H]2CCCc3cc(C#N)ccc32)n1 1348574486 RIEWSTWJWDPPRP-KRWDZBQOSA-N 288.354 3.509 30 20 CHED COc1ccc2cc(/C=C/C(=O)c3cnccn3)ccc2c1 115962572 HGSDWSWJULSZKJ-XVNBXDOJSA-N 290.322 3.535 30 20 CHED Cc1cc(C(=O)OCCCC#N)c(C)cc1Br 179562830 JCOCFISYBVKWHY-UHFFFAOYSA-N 296.164 3.527 30 20 CHED C#CCCCCC(=O)N(C)Cc1ccccc1C(F)(F)F 179693684 NXSAGRBMKGJRKC-UHFFFAOYSA-N 297.320 3.857 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc(C#N)cc1 63874991 JZIUFAZTJMGJLK-MDZDMXLPSA-N 293.370 3.849 30 20 CHED COc1cccc(OC)c1/C=C1\Cc2ccccc2C1=O 179026228 BKEZWXBUVUZVEY-ACCUITESSA-N 280.323 3.526 30 20 CHED CCCC[C@@H](CC)CNC(=O)NCc1ccc(C#N)cc1 60893473 BPBBPPODCGCTMF-CQSZACIVSA-N 287.407 3.574 30 20 CHED CCN(CC)c1ccc(CNc2ccc(F)cc2C#N)cn1 301352213 JEZHQCSDFKJMEP-UHFFFAOYSA-N 298.365 3.551 30 20 CHED C=CCc1ccccc1OS(=O)(=O)CC1CCCCC1 303678559 RCEKKOBMOJBINV-UHFFFAOYSA-N 294.416 3.704 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N[C@@H](C#N)CC 123500126 IYCIDUHNBOPNRW-HUUCEWRRSA-N 264.413 3.791 30 20 CHED CC(C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 120005009 GXAJZZCWBRHPOA-VIFPVBQESA-N 278.764 3.782 30 20 CHED C=C(Br)CN[C@@H](C)[C@H](C)c1ccc(OC)cc1 125106494 HCNBZBSNAVIGNE-RYUDHWBXSA-N 298.224 3.685 30 20 CHED CC#CCCCC(=O)N1CCCc2cc(C)cc(F)c21 185398174 YWLGEENCBRCTCZ-UHFFFAOYSA-N 273.351 3.607 30 20 CHED Cc1ccc(CN(CCC#N)Cc2ccco2)c(F)c1 602432993 JFIGRUGZSMTOTF-UHFFFAOYSA-N 272.323 3.643 30 20 CHED N#Cc1ccc(F)c(CNc2cccc(C(F)(F)F)n2)c1 78474557 AQJGYLRRRQDKEL-UHFFFAOYSA-N 295.239 3.723 30 20 CHED Cc1cccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1F 122201046 UVSPJWCLGHJKMP-OAHLLOKOSA-N 297.329 3.673 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1 210358243 HXUUZOXHPIQPOG-CLFYSBASSA-N 294.350 3.916 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 503554732 UKUSDMBOWSISKJ-JKIFEVAISA-N 276.424 3.585 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC=C)C1CC1 413840454 VHGGGRDZIRSKMY-INIZCTEOSA-N 284.403 3.534 30 20 CHED N#Cc1csc(C(=O)Nc2c(F)cc(Cl)cc2F)c1 180357768 BUQBIGGZSSNOTC-UHFFFAOYSA-N 298.701 3.804 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)c(C)c2)C1 488472144 XDGSBBJPGRNMEH-DLBZAZTESA-N 288.460 3.973 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccc(F)c2C)cc1 73392600 ZXNMHMKRQDADAC-UHFFFAOYSA-N 285.318 3.951 30 20 CHED COc1cc(Cl)ccc1CN[C@H]1CCC[C@@H](C#N)C1 185836187 XJTQGLVCOJCCKR-RISCZKNCSA-N 278.783 3.521 30 20 CHED CO[C@H]1CCN(CCC2(C#N)CCCCC2)CC1(C)C 411784241 HERATOSCYCRZCQ-HNNXBMFYSA-N 278.440 3.597 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(C)c2ccccc12 413658355 RHGQBLXNJNGIIO-UHFFFAOYSA-N 282.387 3.866 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)cc2F)s1 189189281 ILOGXYJZFUMJAG-UHFFFAOYSA-N 280.755 3.702 30 20 CHED C=CCCOCCN[C@H](CCC)c1ccsc1 187807467 XNQSXXRPABUOKQ-CQSZACIVSA-N 253.411 3.772 30 20 CHED COCCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)c(C)c1 185729678 WZBQAHUZKKOSOS-GJZGRUSLSA-N 288.391 3.515 30 20 CHED CCOc1ccc(CN(C)c2ccc(C#N)cc2F)cc1 506824824 VDRRGAQSCNTDLI-UHFFFAOYSA-N 284.334 3.732 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc(-c3cnco3)c2)C1 185718133 OGLZBVFIHBOOTP-TZMCWYRMSA-N 267.332 3.836 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(SC)c1 413956160 MHXAEDJQCNGUCW-PWSUYJOCSA-N 297.807 3.592 30 20 CHED COc1cc(C)ccc1-c1noc(-c2cccc(C#N)c2)n1 318587851 PKJVAGYFUCKEOE-UHFFFAOYSA-N 291.310 3.592 30 20 CHED CC[C@@H](c1ccncc1)N(C)c1cccc(F)c1C#N 77989676 OADZVMOVWJEYFY-HNNXBMFYSA-N 269.323 3.680 30 20 CHED C=CCC[C@H](C(=O)N(C)CC(F)(F)F)c1ccccc1 186663885 SLEXCYPIBPWKPP-ZDUSSCGKSA-N 285.309 3.757 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)CCCC(C)(C)C#N 174855157 WLTUNSLVDLKBMM-ZDUSSCGKSA-N 260.381 3.715 30 20 CHED C=C(C)CCNC1(c2ccc(F)cc2F)CCC1 509008336 WKFMAJBVMWWYMO-UHFFFAOYSA-N 251.320 3.900 30 20 CHED C[C@H](SCCCC#N)[C@H](C)SCCCC#N 188203898 YHQMNKJEYGYRCI-RYUDHWBXSA-N 256.440 3.837 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CSC[C@@H]1C 414541823 WWBLSDXCYYJQGZ-IMJJTQAJSA-N 261.434 3.515 30 20 CHED N#Cc1cccc(N2CCC[C@H]2CCC2CCCC2)n1 410212289 BVDNEFHVCMAVNX-INIZCTEOSA-N 269.392 3.892 30 20 CHED Cc1c(Cl)cccc1C(=O)N(C)Cc1ccc(C#N)cc1 195338446 IYXRSLABFGYNNS-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(C(C)C)s1 410838804 YMPQOAJZHAXJFN-LLVKDONJSA-N 264.394 3.636 30 20 CHED OC(=Nc1nncs1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 328999670 KTPVYZNLKUSCKP-GARJFASQSA-N 265.382 3.733 30 20 CHED CC[C@@](C)(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 504216274 SFYAAGZNARSDTC-JPVQUXCTSA-N 285.391 3.729 30 20 CHED COc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1F 130508002 QTPOOJYCBAGERA-QGZVFWFLSA-N 298.361 3.969 30 20 CHED C#CCCCCNC(=O)Nc1cc(Cl)ccc1Cl 132900791 FHIIYWMOSKKLJQ-UHFFFAOYSA-N 285.174 3.918 30 20 CHED CCCCCCCC(=O)N1C[C@@H](C(=O)O)c2ccccc21 131977503 AFGRMXMWQVJYPQ-CQSZACIVSA-N 289.375 3.562 30 20 CHED CSc1n[nH]c(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 328751999 CQSZADPLKGZMQB-HBNTYKKESA-N 294.424 3.721 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(C)c(SCC#N)s1 134952720 CEGIKKILPCDBFU-CYBMUJFWSA-N 295.433 3.608 30 20 CHED C#CCCCN[C@@H](C)c1ccc(Br)cc1 160790970 XMEPFAVUXUQACV-NSHDSACASA-N 266.182 3.513 30 20 CHED CC(C)C1(C)CCN(Cc2ccc(C#N)s2)CC1 428477687 HAKRRUIQNLTHRM-UHFFFAOYSA-N 262.422 3.878 30 20 CHED CCc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 264300532 RMENZRMTUAOFFQ-UHFFFAOYSA-N 272.392 3.651 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 424565429 HHACHOFCDVCATG-ARILJUKYSA-N 261.409 3.530 30 20 CHED Cc1nnc(N=C(O)CC2CCCCCC2)n1C1CC1 328993690 GCOGAEOQJLYPSJ-UHFFFAOYSA-N 276.384 3.870 30 20 CHED C=C(CNC(=O)N(CC)[C@H](C)C(C)C)c1ccccc1 512665453 FROTZXWWIJPILL-OAHLLOKOSA-N 274.408 3.776 30 20 CHED N#Cc1ccc(Oc2cccc(NC[C@H]3C[C@@H](O)C3)c2)cc1 421205360 NVSUKCXEOXPVJY-FZNQNYSPSA-N 294.354 3.533 30 20 CHED C=C[C@@H](C)NC1CC(c2ccc(Br)cc2)C1 229325506 SHEBPTRQTNDBMV-PWQPVHBWSA-N 280.209 3.859 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@@H](C3CCCC3)C2)cc1 333850239 NGTKKPIOAHKYLE-OAHLLOKOSA-N 283.375 3.602 30 20 CHED C#CCCCC(=O)NCC1(c2cccc(C)c2)CCCC1 192104600 UBJROZHCOYUXQH-UHFFFAOYSA-N 283.415 3.727 30 20 CHED Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(C)o1 335086996 RJXZQQBJLKRFQO-LBPRGKRZSA-N 282.343 3.601 30 20 CHED COc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1OC(C)C 193287862 HORFDRCDMCWTCK-UONOGXRCSA-N 288.391 3.977 30 20 CHED Cc1nnc([C@H](C)S[C@@H](C)c2cccc(C#N)c2)o1 190907398 VJBNJKDGQIXKKJ-UWVGGRQHSA-N 273.361 3.805 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C)cc(Cl)c1 515374386 QVCKDRIQBCVSKN-GDBMZVCRSA-N 279.811 3.719 30 20 CHED CCCCCCCCOc1ccc(C(=O)NC)cc1 147680747 OTCVMEUZNLFJIM-UHFFFAOYSA-N 263.381 3.786 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2ccccc2cc1OC(F)F 90654168 ZGTNFSMAPPDMTM-SNVBAGLBSA-N 291.297 3.746 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C)(C)C(=C)C 425446879 GCMCZSNLBXVPCM-UHFFFAOYSA-N 275.367 3.943 30 20 CHED CCC(C)(C)C/N=C(/O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 331195550 SBMVNBZLQJQPFD-OLZOCXBDSA-N 284.444 3.520 30 20 CHED Cc1cccc2cc(C(=O)N[C@H](C#N)C(C)(C)C)sc12 514688830 ULPKNDGVMIUVNH-CYBMUJFWSA-N 286.400 3.878 30 20 CHED Cc1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)cc1Cl 334298236 NSKHQHQPRAHIRW-UHFFFAOYSA-N 288.778 3.699 30 20 CHED C[C@H]1CC[C@H](/N=C(/O)N[C@H]2CCOC3(CCCC3)C2)CC1 330236807 UNFDGVVZWSAMAD-KKUMJFAQSA-N 294.439 3.561 30 20 CHED CCc1c(/C(O)=N/C[C@@H]2CC[C@H](C)C2)[nH]c(C)c1C(C)=O 331071070 INSUPOHXZQPMBI-GXFFZTMASA-N 290.407 3.829 30 20 CHED C=CCN(CCC#N)Cc1cc(C)c(C)cc1OC(F)F 430106959 WFGLFQUHLFEGQR-UHFFFAOYSA-N 294.345 3.807 30 20 CHED CC(C)c1[nH]ccc1/C(O)=N/C1CCC(C(=N)O)CC1 330611269 PSUDFVMZFJKLRU-UHFFFAOYSA-N 277.368 3.537 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)cc1 93901676 NNRCEDLUJYBSTC-ZHACJKMWSA-N 282.387 3.922 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)c1ccc(C#N)s1 336099867 OTPZGMZQOBJHFD-UHFFFAOYSA-N 290.775 3.545 30 20 CHED COCc1ccc(NCc2csc(C)c2)cc1C#N 527760405 BSLIMBCVPMXHLR-UHFFFAOYSA-N 272.373 3.687 30 20 CHED C=CCC[C@@H](C)Nc1ccc2c(c1)cc(C)c(=O)n2C 430211651 XZVCWYWGXCMNEC-CYBMUJFWSA-N 270.376 3.614 30 20 CHED CCCN(CC#N)CCc1cccc(Cl)c1Cl 434544554 YGINVOLMURVLQF-UHFFFAOYSA-N 271.191 3.771 30 20 CHED CC(C)(C#N)CCSCC(=O)N(C1CCCC1)C1CC1 342011341 WLXOWFKZBXPVMX-UHFFFAOYSA-N 294.464 3.593 30 20 CHED C=CCCN(C)[C@@]1(c2ccccc2)CCCCC1=O 342142320 UONTVMJDZGMCQF-QGZVFWFLSA-N 257.377 3.533 30 20 CHED C=CCCC[C@@H](C)N1CCC(c2ccnn2CC)CC1 434795377 MXRQDYPMVUJQFZ-OAHLLOKOSA-N 275.440 3.827 30 20 CHED CC1=NN(c2ccc(C(C)(C)C)cc2)C(=O)[C@@H]1CCC#N 601934054 IZEJMVIVEMHGLY-OAHLLOKOSA-N 283.375 3.627 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(-n2cccn2)cc1 432685626 HFVWOWQFBAROGG-UHFFFAOYSA-N 298.390 3.596 30 20 CHED COc1ccc([C@H](C)NCc2ccc(F)cc2C#N)cc1 341208185 KYESTAZSSHKUPX-LBPRGKRZSA-N 284.334 3.557 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc2ccccc2c1 608822525 FMNIZTADWOPUEJ-MRXNPFEDSA-N 266.344 3.508 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C/c2ccncc2C#N)cc1 349109262 MJWBPHGPRYGZKQ-VOTSOKGWSA-N 286.338 3.822 30 20 CHED Cn1nccc1/C=C\C(=O)c1ccc2c3c(cccc13)CC2 255231563 BGRIHDFVEHZCMK-NTMALXAHSA-N 288.350 3.568 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1F)c1cc(O)cc(O)c1 255662951 XQQNMLNQPIMLPJ-RJRFIUFISA-N 292.693 3.786 30 20 CHED CCc1ccc(C(=O)/C=C\c2cc(OC)cc(OC)c2)o1 255679047 WAAHSIUAYHJRDA-ALCCZGGFSA-N 286.327 3.755 30 20 CHED C=CCCOCCCCc1nc(C2CCCC2)no1 342701865 GTZBFQQLONWRIU-UHFFFAOYSA-N 264.369 3.643 30 20 CHED COCCC1(CNC[C@H](C)CCC#N)CCCCC1 602620569 MGUINBMZCFGNRW-OAHLLOKOSA-N 266.429 3.503 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)Nc1ccc(C#N)cc1 255956993 VCBDCJHEUNREHP-JYAVWHMHSA-N 271.364 3.504 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccn(C)c2C2CCC2)n1 344638040 QGRGHXGBLVAGJY-CYBMUJFWSA-N 299.399 3.548 30 20 CHED CN(C(=O)c1cccc(C#N)c1)C1CCCCCCC1 299474704 CYPQBAKSMFVWBK-UHFFFAOYSA-N 270.376 3.743 30 20 CHED C=C(C)CSc1nc2ccccc2c(=O)n1CCCC 255937173 POONDYQTIYVBTQ-UHFFFAOYSA-N 288.416 3.865 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(C(C)C)CC1 440238375 BWNFNNIBRDYXFC-UHFFFAOYSA-N 266.429 3.810 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C[C@H]1C=CCCC1 602386816 MLDQRIOVSCFIFZ-AWEZNQCLSA-N 286.350 3.737 30 20 CHED C=CCCO[C@H](C)c1nc(CCCc2ccsc2)no1 357485682 PVLQOOAZPLYSBQ-GFCCVEGCSA-N 292.404 3.960 30 20 CHED Cc1cc(CNc2cnn([C@H](C)C3CC3)c2)ccc1C#N 443993802 BMIQUOKRSFXVLL-CYBMUJFWSA-N 280.375 3.646 30 20 CHED N#CC1(CN[C@H](c2c[nH]c3ccccc23)C(F)(F)F)CC1 353151277 VLJRRTSATDYTSX-CYBMUJFWSA-N 293.292 3.665 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(-c2ccccc2F)o1 359383308 ILSXGMBMVDSHRV-UHFFFAOYSA-N 298.317 3.628 30 20 CHED C=CC[C@@H]1N(Cc2ccn(C(F)F)n2)CCCC1(C)C 446856300 NCTJKOJMBOFOQU-ZDUSSCGKSA-N 283.366 3.845 30 20 CHED Cc1ccc(CNc2cc(C#N)ccc2C(F)(F)F)cn1 355331392 DXAARJFWCDVPMY-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](C)c2ccco2)s1 610172566 NIJAMISYPAXYAQ-SECBINFHSA-N 274.345 3.517 30 20 CHED CC(C)(C#N)CCCNc1ccc(-c2cncnc2)cc1 357177810 WHSNDTJFFCFTHG-UHFFFAOYSA-N 280.375 3.885 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1CCOC2(CCCC2)C1 268956491 KCALHHDPCNXTAS-SECBINFHSA-N 297.811 3.572 30 20 CHED C=C(CC)CS[C@H](C)C(=O)NC1CCCCC1 539093785 NVGAZNRLEJGOFE-GFCCVEGCSA-N 255.427 3.523 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(F)c(F)c1 264199613 QSKHNVHGGRJCLP-UHFFFAOYSA-N 294.345 3.757 30 20 CHED CCc1ccccc1CC(=O)N[C@@](C)(C#N)C1CCCCC1 615478454 IASYWGZSELVYTR-IBGZPJMESA-N 298.430 3.770 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1cc2ccccc2o1 537505128 FOUJKBOHVNWRTB-CYBMUJFWSA-N 272.348 3.587 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@](C)(C#N)C1 612132361 KYUISKLVDPJIPD-CZUORRHYSA-N 279.428 3.536 30 20 CHED C=CCNc1cccc(C[S@](=O)c2ccccc2)c1 442093866 HUZZNAYSNQTSQZ-IBGZPJMESA-N 271.385 3.592 30 20 CHED C=CCCC1(C(=O)Nc2nc(CC)c(C)s2)CC1 354810666 VDZUANJEHOZPLM-UHFFFAOYSA-N 264.394 3.699 30 20 CHED Cc1ccc(CCCN[C@H]2CCC[C@@H](C#N)C2)c(C)c1 618562190 FWISTNKZUZZVIC-AEFFLSMTSA-N 270.420 3.908 30 20 CHED Cc1cnccc1CNc1nc(C(C)(C)C)ccc1C#N 614534221 OJRJCFMBZSMZPK-UHFFFAOYSA-N 280.375 3.566 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](c2cccnc2)C(C)C)C1 617779494 BMRUZZOHRZUYMB-WBVHZDCISA-N 286.419 3.636 30 20 CHED C[C@@H](NC(=O)NCCCC(C)(C)C)c1cccc(C#N)c1 610354093 SOFFEUJGXKMYKW-CYBMUJFWSA-N 287.407 3.745 30 20 CHED C[C@@H]1C[C@@H](CC(=O)NCC(C)(C)C#N)CC(C)(C)C1 611695082 KUDODIOMLTWNPV-OLZOCXBDSA-N 264.413 3.505 30 20 CHED COC1(c2noc([C@H](C)c3cccc(C#N)c3)n2)CCCC1 361264512 ZHCLCNQHGKQNJV-GFCCVEGCSA-N 297.358 3.509 30 20 CHED Cc1ccc(CN(Cc2ccc(CC#N)cc2)C2CC2)o1 612059305 XDKSSDPQPCPHFE-UHFFFAOYSA-N 280.371 3.819 30 20 CHED CN1Cc2ccccc2[C@@H](Nc2cc(Cl)ccc2C#N)C1 533819661 PDWWJNGNPNHSTC-KRWDZBQOSA-N 297.789 3.810 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(C)c1ccccc1C#N 532793467 YXNIUUGRARMJOM-UONOGXRCSA-N 270.376 3.737 30 20 CHED CCN(C(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H](C)C(C)C 455800323 YQHUXHKHGZXQAI-JTQLQIEISA-N 294.786 3.505 30 20 CHED C=CCCC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 365870466 MUDZSGQDUVIBOL-HOCLYGCPSA-N 257.377 3.666 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1CCC[C@H](OC)C1 361877448 NNJCNGTYJDLTAH-GJZGRUSLSA-N 294.439 3.513 30 20 CHED C=C(CC)CNC(=O)Cc1ccc(Cl)cc1Cl 453010866 HIAJWKHARVOCMK-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3OC[C@@H]2C)CCC1 365172862 WISOPIDVUULCPV-AWEZNQCLSA-N 285.387 3.543 30 20 CHED CCCn1ccc2ccc(NC(=O)CC(C)(C)C#N)cc21 278954696 HMMVDGQLXDAQQQ-UHFFFAOYSA-N 283.375 3.930 30 20 CHED C=CCCC(=O)N1CCC(Cc2cc(F)ccc2F)CC1 456831048 STOWPPPEUXMBBZ-UHFFFAOYSA-N 293.357 3.712 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCC(C)(C)C1CC1 458855061 BIUFSHNQLIOZLX-AWEZNQCLSA-N 264.413 3.563 30 20 CHED C=CCOc1ccc(C(=O)NCc2cscc2C)cc1 362937112 ZMECWAHFFGEGFT-UHFFFAOYSA-N 287.384 3.551 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc2nc(C)sc2c1 452778802 ZHPNNFDOVLXHGL-UHFFFAOYSA-N 274.389 3.547 30 20 CHED C[C@@]1(Cc2ccccc2)CCCN1c1cccc(C#N)n1 546633961 BBLVZCYHYYZILR-SFHVURJKSA-N 277.371 3.555 30 20 CHED CC[C@]1(C)CCN(c2ncc(Cl)c(C)c2C#N)C1 541280293 FIOFFQNFOYADQC-CQSZACIVSA-N 263.772 3.542 30 20 CHED C=CCC[C@H](C)N[C@H](CN(C)C)c1ccc(Cl)cc1 549611715 WPAYLOYXWAMHMO-XJKSGUPXSA-N 280.843 3.887 30 20 CHED C=C(C)COCCNC(=O)Nc1cc(C)c(C)cc1Cl 455755244 XLJNSIKTFMNSFY-UHFFFAOYSA-N 296.798 3.671 30 20 CHED C=C(CC)CNC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 459083483 SRWRKPXNZOGFJC-QWHCGFSZSA-N 252.402 3.561 30 20 CHED CC[C@@H](N[C@@H](C)c1nccn1CC)c1ccc(C#N)cc1 453353223 NNOJQVUSCQBYNM-XJKSGUPXSA-N 282.391 3.577 30 20 CHED CC[C@@H](CC#N)N[C@@H](CCc1ccccc1)C(F)F 273836183 GUVXAHRWPSBODY-KBPBESRZSA-N 266.335 3.535 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC=C(F)C2)c1 273157155 AGXWYMXEALDDGB-UHFFFAOYSA-N 290.338 3.733 30 20 CHED CCSc1cccc(-c2noc([C@@]3(C#N)C[C@H]3C)n2)c1 453180641 BEXGQDUGCJHULF-MEBBXXQBSA-N 285.372 3.650 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1 540524614 GPLARLYKPUUTDN-CABCVRRESA-N 275.392 3.623 30 20 CHED C=CCC1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CCC1 276697206 ALFMVXUPAUTZMQ-CQSZACIVSA-N 288.778 3.767 30 20 CHED CC[C@H]1CN(C(=O)CC(C)(C)C#N)CC[C@@H]1c1ccccc1 278992330 LETRUHAXEKDDNS-RDJZCZTQSA-N 298.430 3.969 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2CCCN(c3ccccc3)C2)C1 369475377 DOIOUYOTCIHWLE-SQNIBIBYSA-N 297.446 3.575 30 20 CHED N#CCCCc1nc(-c2cccc(-c3cscn3)c2)no1 361261417 JKMPGYLHLBXSRX-UHFFFAOYSA-N 296.355 3.706 30 20 CHED Cc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1OC(C)C 278373631 CEGIEMKDHRDQSN-CYBMUJFWSA-N 289.379 3.548 30 20 CHED CC(C)(C)[C@H]1C[C@@H](NCc2cccc(C#N)c2)CS1 277271317 PTHOFAWHXZLSQI-HUUCEWRRSA-N 274.433 3.568 30 20 CHED CCCCCCCCCNC(=O)N1CCC2(CCO2)CC1 374305327 IOIXQWVIFOEWQK-UHFFFAOYSA-N 296.455 3.702 30 20 CHED C[C@@H](NC(=O)c1ccc(CC#N)cc1)[C@H](C)c1ccccc1 270411895 XTZLFJMMOZJTLA-LSDHHAIUSA-N 292.382 3.675 30 20 CHED C=CCC1(C(=O)NCC(C)(C)c2ccc(C)cn2)CCC1 628718030 IZPNFIOOFAOEJY-UHFFFAOYSA-N 286.419 3.530 30 20 CHED C=C[C@@H](Cc1nc(CCC2CC2)no1)c1ccccc1 547237480 VAWCOMHUYUEKSR-AWEZNQCLSA-N 268.360 3.925 30 20 CHED C=CC[C@H]1N(C(=O)c2ncc(F)cc2F)CCCC1(C)C 278189009 DLAWYIOFLMTUGQ-CYBMUJFWSA-N 294.345 3.567 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](Cc1ccccc1)C1CC1 467330786 ATKRXFJYRNHTSZ-GOSISDBHSA-N 283.415 3.892 30 20 CHED CC(C)CN1CCCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 540606662 MUVMZJGBIOZJPH-QFBILLFUSA-N 299.462 3.719 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)c1cccs1 281376987 OBVSQQAQMVFSMS-NEPJUHHUSA-N 266.410 3.805 30 20 CHED N#CCCCCNc1ccnc2c(Cl)cccc12 287879735 MZPSIVWAJSJOEV-UHFFFAOYSA-N 259.740 3.994 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(C(F)(F)F)c(C)c1 465243076 QJLDUFQLIDANIK-VIFPVBQESA-N 272.270 3.710 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 465284691 KGESYUMKJAMRQT-HIFRSBDPSA-N 274.408 3.956 30 20 CHED C=C(C)CCc1noc([C@@H](C)Oc2ccccc2)n1 285110920 LUZBQMTWEGLTNW-GFCCVEGCSA-N 258.321 3.718 30 20 CHED CCCN(CC#N)C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 468930834 KEXNMNFPWWYCIL-HNNXBMFYSA-N 286.419 3.751 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nnc(C)n1CC(C)C 460585924 MQITYGSEQHXNOJ-UHFFFAOYSA-N 298.434 3.825 30 20 CHED C=CC[C@H](CC)NC(=O)c1c[nH]cc1-c1cccc(OC)c1 467693447 BGYRCOQTUUKURJ-AWEZNQCLSA-N 298.386 3.775 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)c2ccc(C#N)s2)C1 469342946 SKIWIAWQHMEYEQ-GFCCVEGCSA-N 276.405 3.518 30 20 CHED C=CCC[C@@H](CC)N[C@H](COC)c1ccc(CC)o1 462114146 ZNDACFLNJDCPDC-UKRRQHHQSA-N 265.397 3.864 30 20 CHED Cc1ccccc1CNC(=O)c1ccc(C(C)(C)C#N)cc1 280356645 UJMLNIZPBRCQIQ-UHFFFAOYSA-N 292.382 3.726 30 20 CHED C=CCCO[C@H](C)c1nc([C@@H]2Cc3ccc(F)cc32)no1 632217282 WSHBMHBTNKBLMA-QMTHXVAHSA-N 288.322 3.550 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1ccco1)C(C)C 281250226 GDMHIJWLXVNVIK-ZDUSSCGKSA-N 264.369 3.554 30 20 CHED CC(C)(CNC[C@H](C#N)CCC#N)c1cccc(Cl)c1 554552416 XCPWLULJYZHRCY-ZDUSSCGKSA-N 289.810 3.651 30 20 CHED CC[C@H](CC#N)NC/C(C)=C/c1ccccc1OC(F)F 290910442 PCDLPGQETKSOIC-IEZBTEQYSA-N 294.345 3.973 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccccc1SC 294371195 WAIHGSIAAQGYLW-UHFFFAOYSA-N 263.406 3.741 30 20 CHED CCCN(Cc1ccccc1O)C(=O)CCCCCC#N 806734581 AFFSUOKMITXEGI-UHFFFAOYSA-N 288.391 3.605 30 20 CHED N#CCN(C(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 299333258 QSPDFYAWMSOQES-GOSISDBHSA-N 290.366 3.663 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 294200706 BPSFWANEXBKBNX-JTQLQIEISA-N 251.757 3.729 30 20 CHED Cc1cc(C)c(CNC(=O)c2ccc(F)c(C#N)c2)c(C)c1 556374588 CKBRQPXZHNVMBA-UHFFFAOYSA-N 296.345 3.553 30 20 CHED C[C@H]1/C(=C\c2cnn3ccccc23)C(=O)c2ccccc21 809158496 BAOHVIXPLUXTNB-HMHNVIDESA-N 274.323 3.718 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 646453439 PWLLTEANJIQCTP-KGLIPLIRSA-N 298.390 3.579 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2ccc(CC#N)cc2)CC12CCC2 292764868 VUWHMOIKAUWHIW-INIZCTEOSA-N 297.402 3.795 30 20 CHED CCOc1ccc(O)c(/C=N\CC(C)(C)CCC#N)c1 806552837 ZRXWPJFBQCDKTE-WQRHYEAKSA-N 274.364 3.540 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc(NC(=O)N(C)C)c1 295107609 VRTUEUVREUDDIU-QWHCGFSZSA-N 275.396 3.793 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(F)cc1F 292113680 BADXYEBHLLTKMD-SNVBAGLBSA-N 267.319 3.744 30 20 CHED C/C(=C\C(=O)NCc1ccc(C#N)c(Cl)c1)C(C)(C)C 801072079 FPWIQUFLGNJJSO-YRNVUSSQSA-N 290.794 3.820 30 20 CHED C=CC[C@H](C(=O)N[C@H](C1CC1)C(F)(F)F)c1ccccc1 290189832 SZPLCYLPQNJHEM-UONOGXRCSA-N 297.320 3.803 30 20 CHED CCCCc1ccc(N(C)C(=O)CCCC#N)cc1 291292178 FGAKZSAXSOSCRJ-UHFFFAOYSA-N 258.365 3.686 30 20 CHED C=CCCCCCOC(=O)c1cnc(C(C)(C)C)nc1 808559426 PVLUXJNENHTCOW-UHFFFAOYSA-N 276.380 3.677 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@H](CC2CC2)C1 569522399 LLMUOWKXHCPFNM-OAHLLOKOSA-N 285.387 3.514 30 20 CHED CCCN(C(=O)CCCC#N)[C@H](C)c1ccccc1OC 292439132 VRWXUWDZFJBBPQ-CQSZACIVSA-N 288.391 3.689 30 20 CHED C#C[C@H](NC1CCN([C@@H]2CCCC[C@H]2C)CC1)C(C)(C)C 809781227 JVGYVQIMFUMLDV-NXHRZFHOSA-N 290.495 3.667 30 20 CHED C=CCN(CC=C)c1nnc([C@H](CC)c2ccccc2)n1C 568140326 FYCWGXNTZHKRLF-MRXNPFEDSA-N 296.418 3.535 30 20 CHED COC(=O)c1c(F)cccc1NN=C[C@@H]1CCC[C@@H](C)C1 800816509 FKFWMHHAHKDPCC-VXGBXAGGSA-N 292.354 3.836 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(C)nn(C)c2c1 293335000 OMAQVQZKZUAGSA-UHFFFAOYSA-N 283.375 3.589 30 20 CHED C=CCOc1ccc(C(=O)N(CC2CCC2)CC2CC2)cc1 478608382 JNYJSALLVKWJII-UHFFFAOYSA-N 299.414 3.904 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H](C)C(C)(C)C)n1 800812427 DAMFNPWINGTEPI-MRVPVSSYSA-N 254.765 3.518 30 20 CHED C=CCC(C)(C)CNC(=O)C/C=C/c1ccccc1F 489911971 UAECKTJEFBTMON-VQHVLOKHSA-N 275.367 3.948 30 20 CHED Fc1ccccc1NN=Cc1ccc2ncccc2c1 812458755 KFHALXGANABWSF-UHFFFAOYSA-N 265.291 3.820 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cc(F)cc(Cl)c1 810641111 SCEQVDLEAJAFRO-UHFFFAOYSA-N 287.721 3.642 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C)c(F)c2)cc1O 811699563 VIFKBFVCXAGHRC-FNORWQNLSA-N 286.302 3.744 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccc(-c2ccccc2)cc1C 810090559 RPCOCQUMFLTAEG-IBGZPJMESA-N 295.382 3.928 30 20 CHED CC(C)OCCON=C(CC1CC1)c1ccccc1 812239795 FMAXVAGGCCSGMS-UHFFFAOYSA-N 261.365 3.632 30 20 CHED C=CC[C@@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccncc1 816551591 HPCBCYFAGYBQDB-KBXCAEBGSA-N 282.387 3.625 30 20 CHED C=CCC(F)(F)C(=O)Nc1nnc(C(CC)CC)s1 815087552 KFJMCAJNRKZYBS-UHFFFAOYSA-N 289.351 3.592 30 20 CHED C#Cc1ccccc1Cc1nc(CC2(C)CCCC2)no1 810314781 ITUHMGMUFPUJOZ-UHFFFAOYSA-N 280.371 3.765 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc2c(c1)CCO2 811687817 JEMYMOVEEATSGE-GQCTYLIASA-N 293.297 3.528 30 20 CHED C#C[C@@H](CCC)NC(=O)NCc1ccc2sccc2c1 811910226 YFJOVMRQMZXGSN-AWEZNQCLSA-N 286.400 3.502 30 20 CHED CC#CCN(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 572072836 AHBMQHSKHCFFBW-UHFFFAOYSA-N 295.357 3.896 30 20 CHED COc1cc(F)ccc1NN=Cc1cccc(O)c1Cl 814916807 WVSLWRYBAQLENW-UHFFFAOYSA-N 294.713 3.639 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1c(C)[nH]c2ccccc12 488874482 VBUOUQRDABJNJY-AWEZNQCLSA-N 282.387 3.586 30 20 CHED CC[C@H](CN(CC)Cc1cc(C#N)n(C)c1)c1ccccc1 483372758 WTISWUFGXCIBGI-QGZVFWFLSA-N 295.430 3.912 30 20 CHED C=CCC(F)(F)C(=O)N(CC)[C@@H]1CCCC[C@@H]1C 815308998 RYSROOFCTSPKHN-NWDGAFQWSA-N 259.340 3.625 30 20 CHED C=CCC1(CN[C@H](C)c2cscn2)CCCC1 578847123 LALKODFQQLSAAI-GFCCVEGCSA-N 250.411 3.930 30 20 CHED C=CCC[C@H](C(=O)NC[C@@H](OC)C(C)C)c1ccccc1 489712918 WVSYOTQQQNHLSL-DLBZAZTESA-N 289.419 3.524 30 20 CHED C=CCNC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 579268999 RZJDQFHTTBXTJF-NSHDSACASA-N 272.323 3.525 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H](C)c1ccccc1Cl 498109495 AMZVWMBRCHHTNY-WDEREUQCSA-N 283.824 3.825 30 20 CHED C[C@H](C#N)Oc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 824942416 ZPNIRWJBSFQOIQ-ZNOIYHFQSA-N 296.414 3.598 30 20 CHED C=CCCNC(=O)Nc1c(F)cccc1SCC 667123158 ZWQRVYPAIGTUMI-UHFFFAOYSA-N 268.357 3.635 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc(O)cc1F 729933012 UBULRNLTIVAFAF-UHFFFAOYSA-N 272.323 3.984 30 20 CHED CC(C)[C@@H](C)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 726455271 KZLLZOMXHPHOGG-SNVBAGLBSA-N 295.839 3.885 30 20 CHED C=C1CCC(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)CC1 908176839 FJFYAVSYYRTRAK-LLVKDONJSA-N 277.339 3.564 30 20 CHED CC1=CC(=NNc2nc(-c3ccc(Cl)cc3)no2)CC1 732924940 CHJHHQOTYXNMRL-UHFFFAOYSA-N 288.738 3.898 30 20 CHED CCc1noc(C)c1CON=C(C)c1ccc(F)cc1 902856446 MSDOQTOATYIVNJ-UHFFFAOYSA-N 276.311 3.625 30 20 CHED N#Cc1nccnc1Nc1cccc(-c2ccccc2)c1 588084862 JJKUAPZFZZYYGE-UHFFFAOYSA-N 272.311 3.759 30 20 CHED C=CCC1(NC(=O)c2ncoc2C(C)C)CCCCC1 839417941 KUSIZILXWVKNDU-UHFFFAOYSA-N 276.380 3.807 30 20 CHED CC[C@@H](NC[C@@H]1COc2ccccc21)c1cccc(C#N)c1 902994058 JGIDAUNTUCQIEG-SJLPKXTDSA-N 292.382 3.775 30 20 CHED c1ccc2c(=NN=C3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)cc[nH]c2c1 730148355 RFTJFAUJHNDDFV-NYTXWWLZSA-N 291.398 3.881 30 20 CHED COCCC[C@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839435943 RICKDPOUXDNJGJ-ZDUSSCGKSA-N 296.370 3.713 30 20 CHED CC1(C)CCCC1=NNc1cccc(Br)n1 835024231 GZBJQLDWBXJFBK-UHFFFAOYSA-N 282.185 3.822 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)C1 661386658 UJDQIDLJQXHQAS-LBPRGKRZSA-N 284.325 3.889 30 20 CHED FC(F)(F)CCON=C1CCc2ccccc2CC1 834971228 BLVWOBMHFIRGFI-UHFFFAOYSA-N 271.282 3.890 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CCc2ccc(F)cc21 730147461 OPZFUOYOTKGPNH-GDXCHIGESA-N 285.318 3.646 30 20 CHED CC(C)c1ccc(NCc2ccc(C#N)s2)cn1 905431459 ROSOPQVMCYBELQ-UHFFFAOYSA-N 257.362 3.750 30 20 CHED CC(C)CC[C@@H]1CCC(=NNc2ncncc2F)C1 834981868 CUROAQGPOVFZHG-LLVKDONJSA-N 264.348 3.620 30 20 CHED CCCOc1ccc(/C=C2\CCn3ccnc3C2=O)c(C)c1 901533523 DSGLRKNCKWNUKL-NTCAYCPXSA-N 296.370 3.650 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@]1(C#N)CC12CCCC2 837904336 XTDGLLQXZHFDQH-KRWDZBQOSA-N 288.391 3.724 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)c1ccccc1SCC#N 837229451 ZSOZQWKHDVAWLE-LBPRGKRZSA-N 290.432 3.857 30 20 CHED CCOc1ccccc1N(C)C(=O)CCCCCC#N 588951338 ZVDVSVNVTJJYRT-UHFFFAOYSA-N 274.364 3.522 30 20 CHED CN(CCSc1cccc(F)c1C#N)c1ccccc1 583241705 RJEJIQHNTSHTEA-UHFFFAOYSA-N 286.375 3.926 30 20 CHED C#CC[C@H](NC(=O)C1=CC[C@@H](C)CC1)c1ccccc1 836779600 HESARVOYEOUVHQ-PBHICJAKSA-N 267.372 3.614 30 20 CHED Cc1cc(C)c([C@H](C)NCc2ccc(C#N)c(F)c2)c(O)c1 834903756 RAWKOKXFGBNNKG-ZDUSSCGKSA-N 298.361 3.871 30 20 CHED CCC(=NNc1cc(C)cc(C)c1)c1ccncc1 834929366 MKQFORZJADYPKR-UHFFFAOYSA-N 253.349 3.925 30 20 CHED N#Cc1ccc(NN=Cc2ccc3ncccc3c2)cc1 915962469 RMXAMTQJSLWOIN-UHFFFAOYSA-N 272.311 3.552 30 20 CHED C=CC[C@H](OC(=O)c1cc2n(n1)CCCC2)c1ccccc1 835325321 UQOOXYCSXFJJKG-KRWDZBQOSA-N 296.370 3.694 30 20 CHED CCC[C@H](C(=O)N[C@@H](C)CC#N)c1cccc(Cl)c1 599221030 JZQNIMLKXFKCSN-FZMZJTMJSA-N 278.783 3.642 30 20 CHED C#C[C@H](C)OC(=O)c1cnc(-c2ccc(C)cc2C)s1 744179872 AUXUDQOBMQHUNA-LBPRGKRZSA-N 285.368 3.605 30 20 CHED CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](C2CCCCC2)C1 598629168 YKLQKBAKRRJDDY-SJORKVTESA-N 292.467 3.579 30 20 CHED CCN(C(=O)C/C=C\c1ccc(C(C)C)cc1)[C@@H](C)C#N 598356991 CDENQLJAEBIERM-XHPSBEMXSA-N 284.403 3.974 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCCN(CC(C)C)C1 746197245 NBAWIEXMXUEQJR-QGZVFWFLSA-N 296.499 3.831 30 20 CHED CC1(C)C[C@@]1(NCc1ccccc1C#N)c1ccccc1 595907959 DDUSGLWRNRXMSC-LJQANCHMSA-N 276.383 3.973 30 20 CHED CCCCc1ccc(N=Cc2c(CO)cnc(C)c2O)cc1 747708440 XRECORWPFQXJCE-UHFFFAOYSA-N 298.386 3.681 30 20 CHED N#CCCCCC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 593987031 DDEBAFSXRVOFPG-VXGBXAGGSA-N 290.329 3.555 30 20 CHED Cc1ccsc1CCCC(=O)OCCCCC#N 748428951 GPZXGCDVWSSQIJ-UHFFFAOYSA-N 265.378 3.616 30 20 CHED CCCC1CCC(=NN=C(C)c2cnccn2)CC1 745203688 NOGVHEYNPXUVEJ-UHFFFAOYSA-N 258.369 3.632 30 20 CHED COC(=O)C[C@H](C)c1ccc(-c2ccc(C#N)s2)cc1 592987810 DATQEPHUOKUAIK-NSHDSACASA-N 285.368 3.953 30 20 CHED CC#CCN1CCC(c2nc(C(C)(C)C)cs2)CC1 741777836 LVCHYDQAJKCDCO-UHFFFAOYSA-N 276.449 3.643 30 20 CHED CCc1nocc1CON=Cc1ccc(C(C)C)cc1 848509195 HBDPMUDVHKBZPW-UHFFFAOYSA-N 272.348 3.911 30 20 CHED C=CCN(C(=O)c1cc(C)nc2ccccc12)C(C)C 915148085 VFEPAEAKHFVNOI-UHFFFAOYSA-N 268.360 3.580 30 20 CHED Cc1oc(-c2ccccc2)nc1CN(C1CC1)[C@H](C)C#N 595717953 QPZOJNCTEROBEB-GFCCVEGCSA-N 281.359 3.527 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#N)cc1)CC2 741849436 VDCHMFJXHOSIFD-MHWRWJLKSA-N 289.334 3.779 30 20 CHED C#Cc1cccc(N(C)C(=O)/C=C(\C)C(C)(C)C)c1 742634685 SMBPAYXIMIUKIS-ACCUITESSA-N 255.361 3.623 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1NC1CCCCC1 913946313 PEERUNDZFGLOOM-CYBMUJFWSA-N 285.391 3.919 30 20 CHED CCN(C(=O)CCSc1ccc(Cl)cc1)[C@H](C)C#N 598346293 HOTGJNYTEJWGFZ-LLVKDONJSA-N 296.823 3.583 30 20 CHED N#Cc1sc(NC(=O)CC2CCCCC2)nc1Cl 841227138 YUCWWLJEYUZLTJ-UHFFFAOYSA-N 283.784 3.577 30 20 CHED N#CC1(CCOC(=O)c2ccc(Cl)o2)CCCCC1 840191491 GBJHRSMIIGZMSX-UHFFFAOYSA-N 281.739 3.954 30 20 CHED Cc1cc(C)c(COC(=O)c2sccc2C#N)c(C)c1 748096604 IAHSVMZANDWNEN-UHFFFAOYSA-N 285.368 3.902 30 20 CHED Cc1c(NN=C2CC(C(C)C)C2)cccc1C(=O)O 844624112 UXEFLCJDIMVKLO-UHFFFAOYSA-N 260.337 3.527 30 20 CHED C=CCNC(=O)Nc1cc(F)ccc1Oc1ccccc1 590144814 XRKQIPUDXCMJJX-UHFFFAOYSA-N 286.306 3.926 30 20 CHED Cc1c(NN=C2CCC[C@H]2C(C)(C)C#N)cccc1C(=O)O 844624632 YNOTZWRDLYNWMO-CYBMUJFWSA-N 299.374 3.811 30 20 CHED Cc1ccc(Br)cc1CN(C1CC1)[C@@H](C)C#N 595709284 DKHKEROVBRTUQB-NSHDSACASA-N 293.208 3.634 30 20 CHED CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCC1(CC#N)CC1 744276217 DIEXXFVVZQXAAN-KFWWJZLASA-N 293.407 3.597 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc3cccc(C)n23)ccc1O 749000029 ZXXRGAYYZGSNRL-CLFYSBASSA-N 292.338 3.553 30 20 CHED CCc1ccc(N(CC)Cc2ccc(C#N)cn2)cc1 846820260 IPFAELJQUKFXHJ-UHFFFAOYSA-N 265.360 3.542 30 20 CHED Cc1ccc2c(c1)C(=NNc1cc(Cl)nc(C)n1)CC2 741763659 CTNKJRRKEQNARX-UHFFFAOYSA-N 286.766 3.509 30 20 CHED N#C[C@@H](C(=O)[C@H]1Cc2ccccc21)c1ccc2ccccc2n1 744015107 GQOIVENSDSHXKG-DLBZAZTESA-N 298.345 3.751 30 20 CHED CSc1cc(C)ccc1NC(=O)C#CC(C)(C)C 840500943 HKXOCXNZFVJPAC-UHFFFAOYSA-N 261.390 3.705 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@]2(CCSC2)C1 858114043 UGAJGDXJGRKUOR-MRXNPFEDSA-N 298.496 3.886 30 20 CHED C[C@@H]1CC[C@H](CC(=O)OCc2ccc(C#N)cc2F)C1 759407209 RVJCYRFGYLIYNR-NEPJUHHUSA-N 275.323 3.567 30 20 CHED C#CCCCC(=O)Nc1ccc(COC(C)(C)C)cc1 757982235 RTLJUBDXFDTFHI-UHFFFAOYSA-N 273.376 3.744 30 20 CHED C=C(C)COCCN[C@H](c1ccc(C)cc1)c1cccnc1 925532876 VPFUTMNEXXRMRB-LJQANCHMSA-N 296.414 3.662 30 20 CHED Cc1ncsc1/C=C/C(=O)c1cc(F)ccc1F 757476734 ZLRFKDHAMDHRHE-SNAWJCMRSA-N 265.284 3.626 30 20 CHED O=C1/C(=C/c2ccccc2F)COc2c(F)cccc21 921265951 GIDRDNIQZMFJAY-DHZHZOJOSA-N 272.250 3.624 30 20 CHED C=C(Cl)CN1CCc2c(F)cc(F)cc2[C@@H]1C 759019857 RLFKSENRRBEHOM-VIFPVBQESA-N 257.711 3.636 30 20 CHED CCc1ccc(CCC=NNc2cc(C)nc(C)n2)cc1 758113316 PHYCVVCWUIGRMN-UHFFFAOYSA-N 282.391 3.686 30 20 CHED Cc1ccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)cc1F 750785730 BAGQSMGQUZUFMD-OAHLLOKOSA-N 297.329 3.673 30 20 CHED C=CCNC(=S)N(C)Cc1ccccc1-c1ccccc1 751026064 RPDHSUMHXQXCBI-UHFFFAOYSA-N 296.439 3.846 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc2c1CCC2 851210547 RATBRMIYIIZAHE-LBPRGKRZSA-N 271.360 3.660 30 20 CHED CCC(C[C@@H](C)CC)=NN=c1cc[nH]cc1Cl 756842106 KVGVQFVEKIRSOI-JTQLQIEISA-N 253.777 3.771 30 20 CHED C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@@H](CC#N)C1 855256427 MCCMXNYDGHBEOS-VMEIHUARSA-N 282.387 3.551 30 20 CHED C#CCCCC(=O)OCCCc1ccc(C(F)(F)F)cc1 759174061 PSKQDPSOGKYUJB-UHFFFAOYSA-N 298.304 3.985 30 20 CHED CCCCCCCNC(=O)N[C@@H]1CCCC12CCOCC2 858112645 HQRCYQFWLCBMFN-OAHLLOKOSA-N 296.455 3.605 30 20 CHED C=CCOC(=O)Cc1cc2c(ccc3ccccc32)o1 753442301 FGKYADRUXYHEIM-UHFFFAOYSA-N 266.296 3.858 30 20 CHED C#CCCCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 757761198 WIVFZDNXHXHFLK-ZZFFKQLHSA-N 273.420 3.511 30 20 CHED C#CCCCC(=O)N(Cc1ccco1)c1ccccc1 757893877 DSDGFAHPLMMNFT-UHFFFAOYSA-N 267.328 3.616 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 860645052 JJJLDKONWIGXJJ-JTQLQIEISA-N 292.404 3.955 30 20 CHED CCCCCCCNC(=O)[C@H](C)c1ccc(C)o1 862358603 OSIUZOYGNYFBEG-CYBMUJFWSA-N 251.370 3.778 30 20 CHED C=CCCCc1nc(Cc2ccc(OC(F)F)cc2)no1 761410825 SVQYNLWUIAXENY-UHFFFAOYSA-N 294.301 3.771 30 20 CHED C/C=C(\C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 760987480 PUTLUNWXKQIIIC-ANRVEHPFSA-N 274.320 3.578 30 20 CHED C=CCN(CC=C)C(=O)NC1(C(F)(F)F)CCCCC1 933436440 YWOGKEHCPMAAJT-UHFFFAOYSA-N 290.329 3.635 30 20 CHED C=CCN(C(=O)c1ccc(F)c(Cl)c1F)C(C)C 760516543 ZIYXHNQPDUZUBJ-UHFFFAOYSA-N 273.710 3.655 30 20 CHED N#Cc1c(F)ccc(/C=C\C(=O)c2cscn2)c1Cl 761478386 FLECQFKIGHXVSR-RQOWECAXSA-N 292.722 3.703 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@H]1CCC[C@@H]1C 769478233 ZWOGSHCACOGHCU-QWHCGFSZSA-N 289.350 3.603 30 20 CHED CCC1(CC)CCN(C(=O)Nc2sccc2C#N)C1 931843058 NRZSGUUNIDERDK-UHFFFAOYSA-N 277.393 3.664 30 20 CHED O=C(/C=C/c1cccc(Br)c1)c1cscn1 769258895 FDSVSSRQMGNUQP-SNAWJCMRSA-N 294.173 3.802 30 20 CHED CCC(CC)n1nccc1C(=O)Oc1ccc(C#N)c(C)c1 765093707 LYVWEZZXYGBDFZ-UHFFFAOYSA-N 297.358 3.644 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N[C@](C)(C#N)CC(C)C 931302364 HVCPBAMJRODJQQ-PBHICJAKSA-N 272.392 3.543 30 20 CHED CC(C)CC[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 767904930 CZSKOWIVYBUJRE-KRWDZBQOSA-N 286.419 3.990 30 20 CHED COc1cccc(NN=C(CC(C)C)c2ccccn2)c1 760240312 XDVAADGEQZMRMT-UHFFFAOYSA-N 283.375 3.953 30 20 CHED C#C[C@@H](CC)OC(=O)c1sc(C)nc1-c1ccccc1 768052400 ZDHPYDNXRDITAL-ZDUSSCGKSA-N 285.368 3.687 30 20 CHED FC(F)(F)c1cccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)n1 762421918 KWZRBICWFPCHHE-DCAQKATOSA-N 283.297 3.934 30 20 CHED CC[C@](C)(C#N)C(=O)NCCCCCCc1ccccc1 862625000 IJHSGYUOKYBUHK-GOSISDBHSA-N 286.419 3.846 30 20 CHED C[C@@H](/N=C/c1cc(Br)ccc1O)c1ccc[nH]1 760228726 IGJRQWYAXWNUOR-PTPOTIKZSA-N 293.164 3.663 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc2c(c1)CCO2 764434520 ZUDAKEFSGHTCBR-HYXAFXHYSA-N 286.352 3.588 30 20 CHED C=CC1CCN(Cc2ccccc2N2CCCC2)CC1 1116442877 UWIKTBFOAQOLST-UHFFFAOYSA-N 270.420 3.685 30 20 CHED C#CCCCN(C)Cc1c(C)nn(-c2ccccc2C)c1C 766896333 RDUGPVIRCADZED-UHFFFAOYSA-N 295.430 3.643 30 20 CHED C=CCC1(C(=O)NCc2cc3cccc(OC)c3o2)CCC1 1116752226 DVHWNXGUCXFEAA-UHFFFAOYSA-N 299.370 3.804 30 20 CHED CC(C)c1ccc2c(c1)C(=NNC[C@H](C)C#N)CCC2 760246554 LLROFTALDHSGRY-CYBMUJFWSA-N 269.392 3.600 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2ccc(Cl)s2)c1 768381569 JJOBJEXJEXSZTC-UHFFFAOYSA-N 297.170 3.768 30 20 CHED N#CC1(COC(=O)c2cc(-c3ccccc3)ns2)CCC1 768078374 SFFWWJRHTXLEEW-UHFFFAOYSA-N 298.367 3.661 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](c2ccccc2F)C1 878767108 SJPYMDKAJBLVDD-CYBMUJFWSA-N 275.367 3.744 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(-c2ncc[nH]2)ccc1C 879840896 FNEKCXXLWMCGRL-UHFFFAOYSA-N 283.375 3.926 30 20 CHED C#Cc1cccc(N(C(=O)C2(F)CCCC2)C(C)C)c1 772992297 GKPNTLLHGKZUCA-UHFFFAOYSA-N 273.351 3.692 30 20 CHED FC(F)(F)CC(=NOC1CCOCC1)c1ccccc1 774445427 VLQSBCFRXHULMW-UHFFFAOYSA-N 287.281 3.539 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(-c2cccnc2)cs1 878012624 NRSKWNYTCGXTOZ-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C#Cc1cccc(N(C(=O)c2nc(C)c(C)s2)C(C)C)c1 772278149 LVQUNSCWRFRTIB-UHFFFAOYSA-N 298.411 3.796 30 20 CHED Cc1cc(F)ccc1COC(=O)CC#Cc1ccccc1 1116637520 BOTYOHMATOXDLX-UHFFFAOYSA-N 282.314 3.619 30 20 CHED Clc1ccccc1NN=Cc1ccc(-n2cccn2)cc1 873846831 RXTOHQPFCPNIDV-UHFFFAOYSA-N 296.761 3.972 30 20 CHED Cc1nc2cc(NC[C@@H](C)CCC#N)ccc2s1 877190041 VSNNVCZPSFTUSB-JTQLQIEISA-N 259.378 3.957 30 20 CHED COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1C 773126920 WVKIBBUJTXWHSV-OQLLNIDSSA-N 264.324 3.826 30 20 CHED C=CCCCC(=O)Oc1ccc(C)c2c1C(=O)C[C@@H]2C 1116205157 LDIXISAGOQHIFB-LBPRGKRZSA-N 272.344 3.947 30 20 CHED CC1(C)CCC[C@@H]1C(=O)O[C@@H](C#N)C1CCCCC1 772615165 LFHHWGDXOFILQA-KGLIPLIRSA-N 263.381 3.828 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCCc2ccccc21 779794660 KMVBOMWSOQTNHH-KRWDZBQOSA-N 283.415 3.806 30 20 CHED C[C@H](N[C@H](C)COc1ccccc1)c1ccc(C#N)c(F)c1 776733637 BULSNCWLAOMVFQ-KGLIPLIRSA-N 298.361 3.815 30 20 CHED C=C(CC)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 1123848738 WXFBEFJPNVLUDV-UHFFFAOYSA-N 288.778 3.603 30 20 CHED Clc1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)s1 774598028 VOASFBJYPVORLH-QXEWZRGKSA-N 254.786 3.514 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(Cl)nc2Cl)c1 64370583 SZRQUVAWYWZBOX-UHFFFAOYSA-N 291.137 3.622 30 20 CHED C=CC[C@H](N[C@@H](C)c1nccs1)c1ccncc1 772457605 XZPJOUNWJGEYSF-AAEUAGOBSA-N 259.378 3.506 30 20 CHED C=CCCC[C@H](C)NC(=O)/C=C/c1ccccc1F 775926141 REOOOWKNNRMQCI-YLSINNKHSA-N 261.340 3.700 30 20 CHED Clc1oc2ccccc2c1C=NNCCc1ccncc1 789094167 RFSHOALIOCGREF-UHFFFAOYSA-N 299.761 3.647 30 20 CHED C/C(C=NN[C@H]1C[C@H]2CC[C@H]1C2)=C\c1cccc([N+](=O)[O-])c1 787163597 WFWIDTYMFYJZBO-UBAPIOFGSA-N 299.374 3.762 30 20 CHED C=CC(C)(C)CC(=O)OCc1ncc(C(C)(C)C)o1 884650752 UXJIJRSMJIRGEO-UHFFFAOYSA-N 265.353 3.618 30 20 CHED C=CCCC[C@@H](N[C@H]1CCn2ccnc2C1)c1ccccc1 883217244 DZEWDNZTJHXNEM-ZWKOTPCHSA-N 295.430 3.885 30 20 CHED C=CCCCCCOC(=O)c1cccc(NC(C)=O)c1C 784873486 KGKVIHVTEFVFIU-UHFFFAOYSA-N 289.375 3.857 30 20 CHED CCCCCCCCN[C@H](C)c1ccnc(O)c1 788646030 AOKWRRLMIDUBKB-CYBMUJFWSA-N 250.386 3.798 30 20 CHED CO[C@H](C(C)=NNC1CCCCC1)c1ccccc1 782283882 XTVRYPIGLXWZJC-MRXNPFEDSA-N 260.381 3.672 30 20 CHED CC1(C)C(=NO[C@@H]2CCCCO2)C[C@@H]1Oc1ccccc1 789033485 IPFBIWWDQBNZTO-JKSUJKDBSA-N 289.375 3.763 30 20 CHED O=c1[nH]ccc2cc(NN=C/C=C/c3ccccc3)ccc12 789074281 ZFWCOMOOMPWDMZ-BSCPANATSA-N 289.338 3.639 30 20 CHED C[C@H]1C[C@H](Nc2ccc(Cl)cc2C#N)C[C@@H](C)O1 301952315 JJQZREHDKDZXRE-DDFAGTSDSA-N 264.756 3.580 30 20 CHED CC(C)(C#N)CC(=O)OCc1csc(C2CCCC2)n1 785095506 CTGAXKLVTOTSPC-UHFFFAOYSA-N 292.404 3.784 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1csc(Cl)c1 787161441 CNFFEQTVODBJFF-UHFFFAOYSA-N 286.187 3.708 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(CCC#N)CC(F)(F)F 410523952 KNWWOGGDDBAETR-GFCCVEGCSA-N 292.345 3.753 30 20 CHED CCOc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1Cl 799721501 JRIKVEHIIBMWLI-WDEREUQCSA-N 264.756 3.843 30 20 CHED C=CC[C@H](NC(=O)N(CC1CC1)C(C)C)c1ccncc1 893042921 WTNLNKCOMLHSKY-INIZCTEOSA-N 287.407 3.529 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(OC(F)F)c(F)c2)C1 799721402 FDGNHOXGPGBLGF-DTWKUNHWSA-N 270.254 3.531 30 20 CHED Cc1cc(C#N)ccc1CN(CCC#N)CC(C)(C)C 186238008 VYRWISLVLBNXMP-UHFFFAOYSA-N 269.392 3.628 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1ccc(C)c(C#N)c1 799296756 GQXPTKHQIUBYKP-UHFFFAOYSA-N 292.382 3.919 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cc(F)c(N3CCCC3)c(F)c2)C1 799721636 PCIOFYBLHAXSEX-NWDGAFQWSA-N 291.345 3.669 30 20 CHED O=C(/C=C/c1ccccc1F)c1ccnn1-c1ccccc1 798371023 DVPSSUYQWQMWEH-ZHACJKMWSA-N 292.313 3.908 30 20 CHED C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CC(C)(C)C1 553383011 ZUGWIUKPTBYGFF-VXGBXAGGSA-N 262.422 3.924 30 20 CHED Oc1cccc(/C=N\[C@@H]2CCCc3ccc(F)cc32)c1O 794832536 JCRVDJBREDPPPD-SMLKNPDNSA-N 285.318 3.733 30 20 CHED Cc1ccc(C(=O)/C=C\C(=O)N[C@H](C)c2ccccc2)cc1 797612259 WCQLOUFFDJTUOA-WIDZWVOGSA-N 293.366 3.611 30 20 CHED C=C(CNCc1cc(C)ccc1NC)c1ccccc1 1200141996 PBHNMQGJMFYPBS-UHFFFAOYSA-N 266.388 3.840 30 20 CHED FC(F)c1ccc(C=NNC2CCCCC2)cc1 794534910 LZJXIUNYCZQIPK-UHFFFAOYSA-N 252.308 3.880 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1ccnn1C(C)C 794526422 LSTKCGKNBJLYEW-UHFFFAOYSA-N 293.374 3.767 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(F)c1C#N 1206377330 VGCZFURLFMCYDZ-ZDUSSCGKSA-N 293.345 3.762 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C[C@@H]1CCCSC1 794896153 KEOYAYGELAOPOE-VIFPVBQESA-N 299.783 3.789 30 20 CHED CC(C)(C)c1ccc(COC(=O)C2(C#N)CCCC2)cn1 797308890 WMCAVWHNLSLUPN-UHFFFAOYSA-N 286.375 3.506 30 20 CHED Cc1csc(C(=O)Nc2ccc(Cl)cc2C#N)c1 695633621 INIGWTGLBYZVCR-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCOc1ccc(C=NOCc2ncoc2C(C)C)cc1 1319740791 HOBJUBQAISXEBO-UHFFFAOYSA-N 288.347 3.747 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccc(-c3ccccc3)s2)C1 1320936733 DAJMMEIWHPUPQY-INIZCTEOSA-N 286.375 3.853 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1cccc(F)c1F 1321136763 PIJWVYRZNGLMBS-VIFPVBQESA-N 270.348 3.606 30 20 CHED N#Cc1c(F)cccc1Sc1ncnc2c(F)cccc12 1186843932 DLLHXJCAWCUFRG-UHFFFAOYSA-N 299.305 3.931 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2C#N)cc1Cl 514040 SXGUDGONOIDUDR-UHFFFAOYSA-N 270.719 3.772 30 20 CHED N#Cc1ccc(CCN2CC[C@H](Cc3ccccc3)C2)cc1 1191191367 ACXXGMHEPGTGPM-HXUWFJFHSA-N 290.410 3.665 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@@H](c1ccccc1)c1cnn(C)c1 1345925862 XTZDNNKZSTXOSN-KSSFIOAISA-N 298.386 3.655 30 20 CHED Cc1cccc2c(C(=O)Nc3ccccc3C#N)coc12 1350618840 QYZPHQLBWPIJAY-UHFFFAOYSA-N 276.295 3.865 30 20 CHED N#CC[C@H](OC(=O)C1(c2ccccc2F)CC1)c1ccco1 1350312050 QZFYHBFZOXQSHV-HNNXBMFYSA-N 299.301 3.648 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(CC)C(C)C 1359149972 MICQWVKYYWDKKM-UHFFFAOYSA-N 282.819 3.533 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1nsc2ccccc12 1361269373 IRSULCLSAODXEG-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@H](CCC)C1 1524061898 OWNJRMNBGIDRNJ-LBPRGKRZSA-N 298.381 3.808 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2ccc(F)c(C#N)c2)CCC[C@H]1C 1521313863 SVHZQDYCRGQVCC-ZETOZRRWSA-N 275.323 3.679 30 20 CHED N#Cc1c(F)cccc1CNC[C@H]1CCC[C@H]1C1CC1 1462340851 JDLBIIQCGJEOQQ-HIFRSBDPSA-N 272.367 3.613 30 20 CHED Cc1ccc(F)cc1[C@H](C)OC(=O)CC(C)(C)C#N 1535615560 YDCREAMCTALIEP-NSHDSACASA-N 263.312 3.678 30 20 CHED CCc1ccc(F)cc1C(=O)N[C@@H](C)c1cccc(C#N)c1 1537674079 ZFJJTTXECYMVEH-LBPRGKRZSA-N 296.345 3.751 30 20 CHED CNc1ccc(C)cc1CN(CCC#N)CC(C)(C)C 1461900326 QNLJMBMMSGUDAG-UHFFFAOYSA-N 273.424 3.799 30 20 CHED C[C@H]1CC[C@@H](OC(=O)c2cccc(SCC#N)c2)C1 1535807831 DNILJKCPRQYPDZ-WCQYABFASA-N 275.373 3.648 30 20 CHED O=C(O)c1coc(/C=C/C(=O)c2ccc(Cl)s2)c1 1602554192 ZQFVTAYOHYWVPV-OWOJBTEDSA-N 282.704 3.589 30 20 CHED C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C#N 3383280 OQYHGQZABAQUQI-GFCCVEGCSA-N 282.368 3.678 30 20 CHED CCCCN(CCC(C)(C)C#N)[C@@H]1CCCC[C@H]1OC 1617926872 YLOZNYZJYDDVHO-HZPDHXFCSA-N 280.456 3.986 30 20 CHED N#Cc1c(F)cccc1SCc1ccc2nonc2c1 1473037418 WDCOTUZLHJICGW-UHFFFAOYSA-N 285.303 3.526 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(F)cc1Br 119327029 CLVWSCKXSFFCLY-RKDXNWHRSA-N 272.161 3.813 30 20 CHED Cc1cccc(C2=CCN(c3ncc(C#N)cc3F)CC2)c1 1559152026 ZNUWZJWDOOKKFX-UHFFFAOYSA-N 293.345 3.695 30 20 CHED CC[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C1CCCC1 1556592077 WZRWCRYOAGMNHB-OAHLLOKOSA-N 292.329 3.535 30 20 CHED N#Cc1ccc(CNc2c[nH]nc2-c2ccccc2)cc1F 1560737981 KAPMDDVCWBTMKX-UHFFFAOYSA-N 292.317 3.700 30 20 CHED Cc1cc(CN2CC3(CC3)c3ccccc32)ccc1C#N 1560768112 QXNJGULXZZPACB-UHFFFAOYSA-N 274.367 3.919 30 20 CHED Cc1nc(NCC[C@H]2CCCC[C@H]2C)ccc1C#N 1642270565 VCRBIDZJXRHANR-TZMCWYRMSA-N 257.381 3.890 30 20 CHED Cc1nc(Nc2ccc3c(c2)C[C@H](C)O3)c(Cl)cc1C#N 1652285441 ZMOVKAWFPZJKQK-VIFPVBQESA-N 299.761 3.982 30 20 CHED C[C@@H](CCC1CCCCC1)Nc1cncc(C#N)n1 1651519409 SKIDPAUTAQATNB-LBPRGKRZSA-N 258.369 3.509 30 20 CHED CC(C)(C)[C@@H](N=c1cc[nH]c(C#N)c1)c1ccccc1 1655276268 MKNAIFPSTWVULC-INIZCTEOSA-N 265.360 3.574 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)OCC1CCCCC1 1663729500 MZKCRDWJRBLWKY-QGZVFWFLSA-N 298.386 3.852 30 20 CHED COc1ccc(NC(=O)c2ccsc2Cl)cc1C#N 1595811445 UBHBRAFLIUKFGI-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cc(C#N)ccc1F 1678266676 RCRWOXXHGYRRAK-UHFFFAOYSA-N 277.343 3.788 30 20 CHED Cc1cccc2oc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)cc12 1596978906 QZZSSBYEDOJZIV-QWHCGFSZSA-N 283.327 3.980 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)Nc1scc(C)c1C#N 1677351354 ICYDQGMJBMNQOD-UHFFFAOYSA-N 297.383 3.831 30 20 CHED CC1(C)CCC[C@H](CNC(=O)NCc2cccc(C#N)c2)C1 1673954374 BESZJUCLASZMBJ-INIZCTEOSA-N 299.418 3.574 30 20 CHED CCc1ccc(C(C)=NNc2ccc(F)c(C(=O)O)c2)o1 1776062306 NRPTVGMFKUOYIA-UHFFFAOYSA-N 290.294 3.515 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CC2CCC(C)(C)CC2)C1 1776158194 ACJCXNCQUUURRA-KRWDZBQOSA-N 279.424 3.556 30 20 CHED C=C(C)CCCN1CC[C@@H]2C[C@@H](CC(=O)O)CC[C@H]2C1 1776138799 SBZLQNAACROLJJ-XHSDSOJGSA-N 279.424 3.556 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1ccc(/C=C/C(=O)O)o1)C2 1777455680 MHVSJFUCPBDTIJ-AWGJLQHSSA-N 294.306 3.508 30 20 CHED CCC(=O)c1ccc(OCc2ccc(C#N)cc2F)cc1 11203921 RVBBNMOFZYTPQR-UHFFFAOYSA-N 283.302 3.869 30 20 CHED CC(C)(C#N)CCOc1cc(Br)ccc1F 164953501 NRKRWSALVVAHRF-UHFFFAOYSA-N 286.144 3.907 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(O)c1 7332597 FGQYAIOZAYRDHC-FNORWQNLSA-N 288.730 3.950 30 20 CHED C=CCCOCCNC(=O)[C@H](c1ccccc1)[C@H](C)CC 155204061 ZMKIEOKBRBTWBE-WBVHZDCISA-N 289.419 3.525 30 20 CHED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 155820448 RPJGKJBJYOBTGY-ZWKOTPCHSA-N 296.414 3.576 30 20 CHED N#CCC1(CNc2ccc(F)c(Br)c2)CC1 159947574 ZRNDPGRJCUENBV-UHFFFAOYSA-N 283.144 3.694 30 20 CHED C=CCCCCCCCCNC1CCN(C)CC1 806175445 AMQQQBWNFGUJTA-UHFFFAOYSA-N 252.446 3.587 30 20 CHED N#CC[C@H]1CCCN(Cc2cccc3ccoc23)C1 1236738593 QIGCXMZXGYQWGS-CYBMUJFWSA-N 254.333 3.558 30 20 CHED Cc1ccnc(N2CCC[C@@H](C(C)C)CC2)c1C#N 135080765 SRGKMSVSGQVKGG-CQSZACIVSA-N 257.381 3.524 30 20 CHED N#Cc1ccc(CNc2ccc(OC(F)F)cc2)s1 157435483 YNLPUKRSSXITKD-UHFFFAOYSA-N 280.299 3.833 30 20 CHED CCOc1cc(C)ccc1NCc1cccc(C#N)c1 37778001 WXJCDLYQRFGEKQ-UHFFFAOYSA-N 266.344 3.878 30 20 CHED C[C@@H](NCCCCC#N)C12CC3CC(CC(C3)C1)C2 42312489 AXSNXYPXKQVOIB-CWJHNBGESA-N 260.425 3.875 30 20 CHED N#Cc1cccc(OCCSc2ncccc2Cl)c1 70213165 GDNKNJLZGWUPAU-UHFFFAOYSA-N 290.775 3.778 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCC1 457443250 UECZSDZZICNWHO-VIFPVBQESA-N 262.740 3.586 30 20 CHED N#Cc1cnc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(Cl)c1 462906712 BVYGYEMSAXOOCN-FRRDWIJNSA-N 275.783 3.987 30 20 CHED Cc1nccc(NCc2ccc(C#N)cc2)c1Cl 310871000 LYKUQWKPTOPVTH-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1nc(N[C@H](C)CC(F)(F)F)c(Cl)cc1C#N 311050787 XBOWTVWLBCPEMK-ZCFIWIBFSA-N 277.677 3.668 30 20 CHED N#CCCC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 335385233 ULGJJLCFDQYRHM-UHFFFAOYSA-N 291.782 3.888 30 20 CHED CCC[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 468879846 GVFSXMABCYGVLF-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED CCN(CCCOc1ccc(C#N)cc1)[C@H](C)C(C)C 706434794 ZHTFFBICVZHTLB-OAHLLOKOSA-N 274.408 3.694 30 20 CHED CCCCCCCCC(=O)N1CCC(O)(CC)CC1 707467344 XXMKRWFRPSYCBP-UHFFFAOYSA-N 269.429 3.501 30 20 CHED C=CCC1(NCc2ccc([N+](=O)[O-])cc2F)CCCC1 594987243 JFMXCFBENXGIAT-UHFFFAOYSA-N 278.327 3.712 30 20 CHED C=CCN(Cc1sccc1Br)C(C)C 920412299 XMBXJJDVRIXBFY-UHFFFAOYSA-N 274.227 3.907 30 20 CHED C=C(C)CN(CC)C(=O)c1cccn1Cc1cccs1 58833910 CXLGZODDBZDSMM-UHFFFAOYSA-N 288.416 3.636 30 20 CHED Cc1ccc(C)c2sc(NC(=O)C3(C#N)CCCC3)nc12 52754076 ZPIZDXMATDDREN-UHFFFAOYSA-N 299.399 3.936 30 20 CHED Cc1ccc(-c2noc(-c3cc(C#N)cs3)n2)cc1F 176659252 DUVRRDMAGHYWTQ-UHFFFAOYSA-N 285.303 3.784 30 20 CHED CN(CCC#N)C(=O)Nc1ccc(-c2ccccc2)cc1 107498623 UQFSDOVPBQHOGW-UHFFFAOYSA-N 279.343 3.731 30 20 CHED CC(C)c1nc(CSCc2ccc(F)cc2C#N)no1 108414663 FLYGKEYWEDXVQN-UHFFFAOYSA-N 291.351 3.637 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](CC)OC1CCCCC1 119726215 WBQHZYISFJTQAH-OAHLLOKOSA-N 267.413 3.539 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@H]2CCc3ccccc32)n1 115901045 HLXTXRWCPCIPQX-UKRRQHHQSA-N 296.395 3.748 30 20 CHED C[C@H](CC1CCCC1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 114617978 PTKJPYOMNYFVEQ-CZUORRHYSA-N 298.386 3.550 30 20 CHED C=CCSc1nnc(CCC2CCCCC2)o1 171160235 BUTPSAZZEYZZTH-UHFFFAOYSA-N 252.383 3.861 30 20 CHED C/C=C(\C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 176041151 MYQYWPSWNDGAHW-STWLFGJUSA-N 283.158 3.640 30 20 CHED C[C@@H](NCCSCc1ccccc1C#N)C1CCC1 177821562 AOCPRAGODOGUAN-CYBMUJFWSA-N 274.433 3.570 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 116937012 FLDOSEJZDCLTDZ-WDEREUQCSA-N 298.333 3.613 30 20 CHED C=CC(C)(C)c1nnc(-c2ccc(OCC)c(OC)c2)o1 1349966177 WSXLQWULVFRWIQ-UHFFFAOYSA-N 288.347 3.608 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(CC)C[C@H](C)C#N 114318492 XAWJGIYJFIDOHU-HIFRSBDPSA-N 264.413 3.601 30 20 CHED CCSCC[C@H](C)N(C)C(=O)Nc1cccc(C#N)c1 174443559 AJHHFQSPFWWBEI-LBPRGKRZSA-N 291.420 3.554 30 20 CHED O=C(Nc1ccccc1C#Cc1ccccc1)N1CCCC1 175047734 FJWZCAHFYVTMOO-UHFFFAOYSA-N 290.366 3.714 30 20 CHED N#Cc1cc(F)c(NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c(F)c1 301691051 KHOGAFGUEQXQRH-CKEIUWERSA-N 296.320 3.834 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNc2ccnc(C)c2)c1 302568021 OHTDDVOBKQWNOQ-INIZCTEOSA-N 281.359 3.683 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 175433408 CCQHTGIYZHZKPE-LZWOXQAQSA-N 272.392 3.539 30 20 CHED C#Cc1cccc(NC(=O)/C=C/c2ccc3ccccc3n2)c1 66338708 OZMDQOOSPTUNEO-OUKQBFOZSA-N 298.345 3.868 30 20 CHED C#CCCCCNC(=O)Nc1cc(Cl)ccc1SC 177248984 BBMIGBGSBZZDID-UHFFFAOYSA-N 296.823 3.987 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1cccc(F)n1 1342701258 WUTCXHYAPZLHFP-JHJVBQTASA-N 274.339 3.613 30 20 CHED CC(C)N(C(=O)Cc1ccc(C#N)cc1)C1CCCCC1 171467107 NBFYANVXCRKDAC-UHFFFAOYSA-N 284.403 3.670 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(C)o2)c1 172816782 PRJJRUPJXIHZAP-BQYQJAHWSA-N 256.301 3.631 30 20 CHED Cc1cccc([C@@H](NC(=O)NC[C@@H](C)C#N)C(C)(C)C)c1 182702734 UIVBZINRHYGCKW-DZGCQCFKSA-N 287.407 3.541 30 20 CHED Cc1ccc(CN(c2ccc(C#N)cn2)C2CC2)cc1C 301335941 GKSCKPKZYJPEHB-UHFFFAOYSA-N 277.371 3.739 30 20 CHED CCCCCCCCC(=O)NCc1ccccc1CO 127595171 VWRWHWCQGREEDN-UHFFFAOYSA-N 277.408 3.546 30 20 CHED Cc1ccccc1C1(CN[C@@H]2CCC[C@H](C#N)C2)CC1 185809150 HIPAQHKJYNAOFZ-JKSUJKDBSA-N 268.404 3.699 30 20 CHED CCn1c(NCc2cccc(C#N)c2)nc2cc(F)ccc21 128916655 FYOJUTPIEZKGHD-UHFFFAOYSA-N 294.333 3.679 30 20 CHED C=CCN(Cc1cccs1)Cc1ncc(C)s1 180411499 IRTZDOZIQZMWTK-UHFFFAOYSA-N 264.419 3.701 30 20 CHED CCN(CC)C[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 122653172 KUNGLAQMVCGSNM-NSHDSACASA-N 299.340 3.719 30 20 CHED COc1ccc(C#N)cc1CSc1ccccc1 129266546 XRUINODPKGZXQG-UHFFFAOYSA-N 255.342 3.859 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(CC)c1ccc(C#N)cc1 410526762 OUJWQPYQJQEECT-HNNXBMFYSA-N 272.392 3.983 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2cccc(C)c2)c1C 76106344 MCXZRJVNRFPLBK-MDZDMXLPSA-N 268.360 3.724 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2cccc(C#N)c2C)c1 509404322 PZXIEVANQHPFAZ-UHFFFAOYSA-N 292.382 3.840 30 20 CHED CC[C@H](NC[C@H](C#N)CCC#N)c1cccc(Cl)c1 182586144 ICBATIDTARCRHM-WFASDCNBSA-N 275.783 3.824 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)C1CCC(F)(F)CC1 501549744 DFKBVBCVJHFYGY-LBPRGKRZSA-N 288.382 3.951 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1c(C)coc1C 413982033 FIEHAZQCACPEGE-MRXNPFEDSA-N 283.371 3.814 30 20 CHED N#Cc1ccc(N2CCC[C@H]2/C=C\c2ccccc2)cn1 503311453 LIIZVMMBKZJYIT-PXAMLJHWSA-N 275.355 3.635 30 20 CHED C#CCCCCNC(=O)c1ccccc1C(C)(C)C 126263747 POXWXIRRRJCUER-UHFFFAOYSA-N 257.377 3.517 30 20 CHED CC1(C)[C@@H](NCCCCC#N)C[C@@H]1OCc1ccccc1 182324885 QBTNUSHLCHKLPI-IRXDYDNUSA-N 286.419 3.654 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(c1cc(C)ccc1C)C(C)C 410451193 XWSFAQALOKSEAF-WBVHZDCISA-N 287.403 3.636 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)C#N)c(Sc2ccccc2)c1 183212418 NNROMGPSUPGPCG-ZDUSSCGKSA-N 296.395 3.788 30 20 CHED C[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1cccc(C#N)c1 75270163 CETSQLBPOUJYGO-LBPRGKRZSA-N 289.338 3.531 30 20 CHED C=CCCC(=O)CSc1ccc(C(C)=O)cc1OC 134849096 CBGFUXLIVFCNEL-UHFFFAOYSA-N 278.373 3.525 30 20 CHED N#Cc1cccc(CN2CCSC3(CCC3)CC2)c1F 411868961 MEQZBVHPEVFPOY-UHFFFAOYSA-N 290.407 3.559 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C)C[C@H]2CC)cc1 73326045 CHSJNCRSOIUPFE-UKRRQHHQSA-N 273.376 3.512 30 20 CHED Cc1cc(C#N)ccc1COc1ccc2c(c1)CCCO2 315124261 LHTSTTKJIBSZFT-UHFFFAOYSA-N 279.339 3.771 30 20 CHED N#Cc1cc(NCCC(F)(F)F)ccc1C(F)(F)F 130956442 SSLFNWBAMVLIQI-UHFFFAOYSA-N 282.187 3.941 30 20 CHED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccncc1 181806687 DYGWXVRIPWUGGN-DYVFJYSZSA-N 265.360 3.755 30 20 CHED CC(C)(C#N)CCCONC(=O)CCC1CCCCC1 135499822 NTQPPGRYCGZANY-UHFFFAOYSA-N 280.412 3.725 30 20 CHED N#CCC[C@@H](NC(=O)NCCC1CCC1)c1ccccc1 134100945 CFOWWXKNRBDPNR-MRXNPFEDSA-N 285.391 3.521 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2ncc(C#N)cc2F)C1 413145624 RUISCUYFIFASDI-GOSISDBHSA-N 295.361 3.650 30 20 CHED C=CCNC(=O)c1cccc2cccc(Br)c12 504525424 YJWOSVWPCRSVTH-UHFFFAOYSA-N 290.160 3.518 30 20 CHED CCC(CC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 131071579 FGBSUFFRFDBADR-UHFFFAOYSA-N 274.364 3.720 30 20 CHED C[C@@H](/C(O)=N/CCC1CCCCC1)c1cncnc1 329323850 SFINHTPGDGQROX-GFCCVEGCSA-N 261.369 3.507 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@@H]2CCC[C@H]2C1 135284794 BZONOMAAZCHXHQ-GJZGRUSLSA-N 268.404 3.720 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1O 130725030 CMIMWBJMPZDMJJ-UHFFFAOYSA-N 280.371 3.676 30 20 CHED CCOc1ccc(C(=O)/C=C/c2c(C)noc2C)cc1 192880013 UOLXELISCGGSMF-MDZDMXLPSA-N 271.316 3.586 30 20 CHED C=CCC[C@H](C)NC[C@@H](c1ccccc1)N1CCCC1 130509261 YWCQKJCDPMSSSD-WMZOPIPTSA-N 272.436 3.768 30 20 CHED N#Cc1ccc(CN2CC[C@@H](C3CCCC3)C2)s1 421381728 AZKMKHNOGZVSPK-CYBMUJFWSA-N 260.406 3.632 30 20 CHED CO[C@@H]1CC[C@@H](/N=C(/O)Nc2csc3ccccc23)C1 329927340 WWOSWYYLHQSSBQ-GHMZBOCLSA-N 290.388 3.795 30 20 CHED COC(=O)c1occc1/C=C1/C[C@H](C)c2ccccc2C1=O 131132440 IYNBMYFFOMIUOF-KBICQTFXSA-N 296.322 3.840 30 20 CHED C[C@@H](Cc1cccs1)NC1CC(C#N)(c2ccccc2)C1 86036983 HNPLHTSPICLTBG-NXVRBGIVSA-N 296.439 3.893 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C(F)(F)F)ccn1 425242790 CZTAUOALKXJJRD-UHFFFAOYSA-N 272.270 3.641 30 20 CHED N#Cc1ccc(CN[C@H](CC(F)F)c2ccccc2)o1 421371509 KSEBEUBLXXCEAT-CQSZACIVSA-N 276.286 3.637 30 20 CHED C=C(C)CN(CC)C(=O)NCC1(Cc2ccccc2)CC1 131207510 NFSORLOVIXGVCV-UHFFFAOYSA-N 286.419 3.617 30 20 CHED CSc1n[nH]c(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)n1 329054817 HVOAXNVTOKPBOW-GARJFASQSA-N 294.424 3.721 30 20 CHED C=CCn1c(SCCCCC#N)nnc1-c1ccccc1 133872476 SHFUPJRCBMIYIU-UHFFFAOYSA-N 298.415 3.917 30 20 CHED C=CCN(CC=C)C(=O)c1cncc(-c2cccc(C)c2)c1 133947365 PMMZTLINWAMGFJ-UHFFFAOYSA-N 292.382 3.871 30 20 CHED C[C@H](SCc1cccc(C(N)=O)c1)c1cccc(C#N)c1 190784537 NAXKMBVJIFOLQG-LBPRGKRZSA-N 296.395 3.652 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)c(F)c2)cc1 227300347 KCESRDMOBLYSLP-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N=C(O)N1CCCc2ccc(N=C(O)[C@H]3C[C@H]3C3CC3)cc21 330312195 OCOGWNHLPGXXAR-KBPBESRZSA-N 299.374 3.566 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 429895150 IGUFSYVAWYMYAT-UHFFFAOYSA-N 275.348 3.735 30 20 CHED C=CCC[C@@H](NC[C@H](CC)N1CCCC1)c1ccco1 514084609 RAVYVCIOUVLPBE-JKSUJKDBSA-N 276.424 3.751 30 20 CHED C=CCc1cc(CN2CC[C@H]3CCC[C@@H]32)cc(OC)c1O 428455539 SPQQYWHLXSLDAB-ZBFHGGJFSA-N 287.403 3.504 30 20 CHED C[C@H](c1cccc(O)c1)N(C)Cc1cc(C#N)cs1 93316154 FCAUFLPNMVQAQE-LLVKDONJSA-N 272.373 3.518 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421564448 ZKNDBYQPIJKKSS-UKRRQHHQSA-N 295.386 3.893 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(F)cc2O)cc1 336498318 VZJDRYPJOFRZBX-UHFFFAOYSA-N 298.317 3.585 30 20 CHED Cc1c(C(=O)N(CCC#N)Cc2ccco2)ccn1C(C)C 339582538 GISTZYAFFMOGIO-UHFFFAOYSA-N 299.374 3.527 30 20 CHED Cc1cc(CN[C@@H](c2ccccc2)C(F)F)ccc1C#N 433048499 NKIHNZJCSVLDIC-INIZCTEOSA-N 286.325 3.963 30 20 CHED Cc1noc([C@H](C)/N=C(/O)c2sccc2C(C)C)n1 330399899 RPQMPLJOKJQXRP-QMMMGPOBSA-N 279.365 3.629 30 20 CHED C[C@H](C#N)C(=O)N1CCC(c2cccc3ccccc23)CC1 335148798 ALDJNGXRISYYGA-CQSZACIVSA-N 292.382 3.705 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(O)c1 335785679 OYVQPXHDVUGHSO-LJQANCHMSA-N 292.382 3.821 30 20 CHED COC(=O)C1(/N=C(/O)c2cc(C(C)C)oc2C)CCCC1 330571103 CYWIYRIQHRQOSM-UHFFFAOYSA-N 293.363 3.502 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(Cl)c(F)c1 435735385 MLVIWDRSEXSZEC-IUODEOHRSA-N 283.774 3.550 30 20 CHED COc1cc(F)cc(Nc2snc(Cl)c2C#N)c1 92683991 MXNZNDGSTXRHQH-UHFFFAOYSA-N 283.715 3.559 30 20 CHED N#Cc1cc(N[C@@H]2CCO[C@@H]2C2CC2)ccc1C(F)(F)F 231718710 JLNXPNXWOXJRPC-ZIAGYGMSSA-N 296.292 3.556 30 20 CHED Cc1cnccc1CN1CC=C(c2ccc(C#N)cc2)CC1 334772043 MNAQREHFOFZDTE-UHFFFAOYSA-N 289.382 3.551 30 20 CHED Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(C#N)s2)C1 336306243 LQJYEXLDRIKKRX-CYBMUJFWSA-N 296.395 3.558 30 20 CHED C=CCC[C@H](O)CN1CC[C@@H](c2ccccc2)C[C@H]1C 439328666 MNBGOHALFXGSCU-NXHRZFHOSA-N 273.420 3.582 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc2c(c1)CCCC2 343582927 QTRBGKHJZOZCKN-ZDUSSCGKSA-N 254.377 3.520 30 20 CHED C=CCC[C@H](NC(=O)NCC1(C)CC1)c1ccccc1 435110355 IYSSXTRYUMCVSY-HNNXBMFYSA-N 272.392 3.793 30 20 CHED CC(C)C1CCC(N(C)C(=O)c2cccc(C#N)c2)CC1 432544886 FRWQKRNGUOXZBJ-UHFFFAOYSA-N 284.403 3.845 30 20 CHED C=CC[C@H]1N(C(=O)C(=O)c2ccc(C)cc2)CCCC1(C)C 436102836 NRVKPXKGISYMAG-MRXNPFEDSA-N 299.414 3.771 30 20 CHED N#Cc1cccc(NC(=O)C[C@@H]2C[C@@H]2c2ccccc2)c1 340719097 CFDICLLYCJIDNY-DOTOQJQBSA-N 276.339 3.691 30 20 CHED CCc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)CCC#N 346023514 VXOKNKQJGVEEPQ-IRXDYDNUSA-N 298.430 3.799 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@H](SC)C(C)(C)C 432364887 NPRDEXAVZCLVQH-LBPRGKRZSA-N 286.485 3.666 30 20 CHED Cc1ccc2sc(CN(CC#N)C3CCCC3)nc2c1 528389393 SSOYSGHSFBYCJY-UHFFFAOYSA-N 285.416 3.873 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(-n2cccn2)cc1 348226961 MOXGDUSTTOWVFL-OAHLLOKOSA-N 296.418 3.853 30 20 CHED CO[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 248924889 XBLQUDMYSZWQHQ-DAXOMENPSA-N 292.810 3.699 30 20 CHED C=CC[C@H]1N(CCOC2CCC2)CCCC1(C)C 347122329 MXTXMIPIFZGNRQ-OAHLLOKOSA-N 251.414 3.622 30 20 CHED CCc1ccc(CNc2cc(C#N)ccc2OC(C)C)cn1 348129837 ARZMIEXCFYIQJM-UHFFFAOYSA-N 295.386 3.915 30 20 CHED Cc1c(C#N)cccc1-c1nc([C@H]2CCC(F)(F)C2)no1 347266124 PKBGRHMWAZUARY-JTQLQIEISA-N 289.285 3.820 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCCc2sc(C)nc21 346459414 OLACBHHUOAUJRJ-YPMHNXCESA-N 292.448 3.732 30 20 CHED CNCC1(c2ccc(-c3ccc(C)cc3C#N)cc2)CC1 600775505 JFDSRLGTMZVNTK-UHFFFAOYSA-N 276.383 3.785 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N[C@H]1CC[C@@H](F)C1 340848461 JTLIMNIAWQCBKD-KOLCDFICSA-N 291.276 3.687 30 20 CHED Cc1cccc([C@@H](C)C(=O)NCC(C)(C)CCC#N)c1 345899376 FIGBFCQUUAGQEY-CQSZACIVSA-N 272.392 3.545 30 20 CHED N#CCC1(CNCc2cc(C(F)(F)F)ccc2F)CC1 430028703 VXUHTMNWBASDIQ-UHFFFAOYSA-N 286.272 3.628 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)Nc1cccc(C#N)c1 255956997 WQDFHRICDRUKGU-JYAVWHMHSA-N 271.364 3.504 30 20 CHED N#Cc1cccc(CNC2(Cc3ccccc3)CCCC2)n1 602614485 RNOOZTSXLGOERB-UHFFFAOYSA-N 291.398 3.598 30 20 CHED Cc1ccc(O)cc1NC(=O)CC1(C#N)CCCCC1 600418887 OHXXEXTUKWBGDZ-UHFFFAOYSA-N 272.348 3.503 30 20 CHED CC[C@H](NC[C@@H](C)CCC#N)c1ccc(OC)cc1 602504243 OEJKCHYABJRBRL-BBRMVZONSA-N 260.381 3.676 30 20 CHED Cc1ccc(NC(=O)C2CC2)cc1NC[C@H](C)CCC#N 602492231 DVJDUUSINRLIFV-GFCCVEGCSA-N 285.391 3.695 30 20 CHED CCCN(C(=O)CSc1ccc(C#N)cc1)C(C)(C)C 444735872 OJOWWQMZWCDNLF-UHFFFAOYSA-N 290.432 3.687 30 20 CHED CC[C@@H]1CN(Cc2ccc(C#N)cc2F)c2ccccc2O1 441362453 YSXGVGNVCURARD-OAHLLOKOSA-N 296.345 3.875 30 20 CHED N#C[C@@H]1CCCC[C@@H]1NCCc1cccc(C(F)(F)F)c1 600180636 MNTLUMVHTUPBGM-ZFWWWQNUSA-N 296.336 3.920 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCC1(C(F)(F)F)CCC1)CC2 353669240 UANKRZPIINXSPD-AWEZNQCLSA-N 294.320 3.868 30 20 CHED C[C@@H](CCC#N)CNCCc1ccccc1C(F)(F)F 602525444 HOLTXTGZHRCZRM-LBPRGKRZSA-N 284.325 3.777 30 20 CHED Cc1ccc(-c2ccc([C@@H]3CCCN3)cc2)c(C#N)c1 600774964 HECGMPPOYIQARN-SFHVURJKSA-N 262.356 3.958 30 20 CHED CCCN(CC#N)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 608959327 YZEOSLOIYSGJEB-UONOGXRCSA-N 264.413 3.601 30 20 CHED C[C@@H](C[S@@](=O)Cc1cccc(C#N)c1)c1ccccc1 359438729 NFTZWGNVISZOHK-VBKZILBWSA-N 283.396 3.611 30 20 CHED C=CCn1c([C@H](CC)c2ccccc2)nnc1N(C)C1CC1 350724055 YHUBEBQIPNTNDN-MRXNPFEDSA-N 296.418 3.605 30 20 CHED Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OC(C)(C)C)c1 442788390 FDNXSVXFGOTXPG-HOCLYGCPSA-N 286.419 3.954 30 20 CHED Cc1cc(F)ccc1NC(=O)c1ccc(Cl)c(C#N)c1 539369538 FSDGXXBRIGFYEI-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H](CCCC(F)(F)F)NC(=O)c1ccccc1CC#N 601529008 UXMNDULIGOZIGP-NSHDSACASA-N 298.308 3.604 30 20 CHED C[C@@H](CCC#N)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 602443835 WTBUSUVZOHBQCX-XJKSGUPXSA-N 292.810 3.653 30 20 CHED Cc1cc(C)c(CCNC[C@H](C)CCC#N)c(C)c1 602520255 LZELCGROUSEBPI-CYBMUJFWSA-N 258.409 3.684 30 20 CHED Cc1ccc([C@H](CNC2CCC(C)(C#N)CC2)N(C)C)cc1 449108052 SBDGZVRXPKRZJI-XBMUEBEBSA-N 299.462 3.660 30 20 CHED N#Cc1ccc(CNC[C@H]2C[C@H]2c2ccccc2)cc1F 449732848 DNUMAWXBLCLRDC-SJORKVTESA-N 280.346 3.591 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccc(C(F)(F)F)cc1 616014525 QGBDROJVLIWRIG-LLVKDONJSA-N 270.298 3.829 30 20 CHED CC1(C)C[C@@H](NCC#Cc2ccc(Cl)cc2)C(C)(C)O1 444641388 UREDOWJDQRMVAO-OAHLLOKOSA-N 291.822 3.627 30 20 CHED N#Cc1cc(Cl)ccc1NCC1CCC(C#N)CC1 619651730 SVBMZJOUOQEJBC-UHFFFAOYSA-N 273.767 3.954 30 20 CHED C=CC[C@@H]1N(CCO[C@@H]2CCCCO2)CCCC1(C)C 444783972 MGFORZCDLYULLM-JKSUJKDBSA-N 281.440 3.596 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 449350322 ULZLYSRVSIBHEB-AGIUHOORSA-N 262.353 3.846 30 20 CHED C=C(CC)CNc1cc(OC)ccc1OC(F)F 536882246 WEHOMKUYVAQRGH-UHFFFAOYSA-N 257.280 3.675 30 20 CHED C[C@]1(C#N)CCCN(CCSCc2ccccc2)C1 619166900 KXYAMUNPCKITRS-MRXNPFEDSA-N 274.433 3.545 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)s2)Cc2ccccc21 536255537 AJNXHZIZRSWUJN-UHFFFAOYSA-N 296.395 3.553 30 20 CHED C=CCC1(C(=O)NCc2cccc(O)c2)CCCCC1 448984224 RHXDQEAKOLKAKC-UHFFFAOYSA-N 273.376 3.535 30 20 CHED C[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1cccc(C#N)c1 610356159 LDRRADTTZZYEOD-CXAGYDPISA-N 297.402 3.593 30 20 CHED C=CCCc1csc(Nc2ccc(C#N)cc2)n1 534950647 OHSILLKMAQZYJV-UHFFFAOYSA-N 255.346 3.877 30 20 CHED CC(C)c1ccc(CCNC(=O)c2ccc(C#N)s2)cc1 530909339 AUPULMVMXUUUDK-UHFFFAOYSA-N 298.411 3.716 30 20 CHED COc1cc(CN2CC[C@H](C)C3(CCC3)C2)ccc1C#N 442853158 UKJOPJDFQZTJSQ-AWEZNQCLSA-N 284.403 3.579 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccco1 359342862 URPKWXZCYCYUDN-UHFFFAOYSA-N 295.791 3.752 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 617787728 VWPYGPRFAMBCPR-AWEZNQCLSA-N 295.382 3.974 30 20 CHED N#Cc1cccc(NC(=O)NCc2coc3ccccc23)c1 358404061 ANUZSYLHQCBVJM-UHFFFAOYSA-N 291.310 3.626 30 20 CHED N#Cc1cccc(SCCc2ccc3c(c2)OCCO3)c1 359769171 DIGZGLKXVOIYIN-UHFFFAOYSA-N 297.379 3.664 30 20 CHED CC(C)c1nsc(Sc2ccc(C#N)cc2)n1 537766765 UZNZRTYXZHBOQZ-UHFFFAOYSA-N 261.375 3.684 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1scnc1C)CC2 269960364 YIBQBENURBLAKT-MDWZMJQESA-N 269.369 3.972 30 20 CHED C=C(C)COCCN[C@@H]1CC(C)(C)c2ccccc21 539063465 GIULWSDVLBWLEX-MRXNPFEDSA-N 259.393 3.591 30 20 CHED C=CCN(C(=O)N[C@@H](CCC)CCCC)C1CC1 539027207 ADFUNNPDSIHJTD-ZDUSSCGKSA-N 252.402 3.705 30 20 CHED CCS[C@H]1CCCCN(C(=O)C2(C#N)CCCCC2)C1 365237716 CQDPXDTTXSOTOG-AWEZNQCLSA-N 294.464 3.595 30 20 CHED C[C@H]1CCCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 456077567 ZIEXMBKUMKVCRB-HNNXBMFYSA-N 298.430 3.776 30 20 CHED C=C(C)CCNC(=O)Nc1cnn(-c2ccccc2)c1CC 455251728 KNIHOHUGUUPZKA-UHFFFAOYSA-N 298.390 3.522 30 20 CHED C=CC1CCN(Cc2ccn(CCc3ccccc3)n2)CC1 450396505 XDSWSAHGQUDQNF-UHFFFAOYSA-N 295.430 3.524 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@H]1CCc2ccccc21 458932862 VRPNSRRTNIBKFI-MRXNPFEDSA-N 286.419 3.714 30 20 CHED C[C@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 274312341 IMCNJNKHXMPIMP-PXAZEXFGSA-N 290.382 3.764 30 20 CHED C=CCC[C@@H](NC(=O)CSC1CC1)c1ccccc1 450181190 PHORUFQRRXCYKX-OAHLLOKOSA-N 275.417 3.706 30 20 CHED C=C(CC)CNC(=O)Nc1ccnn1[C@@H](C)CC(C)C 455129511 ANRSHDSFQBGLLG-ZDUSSCGKSA-N 278.400 3.578 30 20 CHED CO[C@@H]1CCOc2c(N[C@H]3CCC[C@@H](C#N)C3)cccc21 619202865 HKDPRAVBQVUGPN-DVOMOZLQSA-N 286.375 3.651 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1cccc(Cl)c1C#N 450500001 MCQLPXZHCYEFNK-IAQYHMDHSA-N 276.767 3.605 30 20 CHED C=C(CC)CNC(=O)c1ccc(-c2ccsc2)nc1C 456827004 KBCJVQSLIAPDFK-UHFFFAOYSA-N 286.400 3.815 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 547956050 YCYIVRPVFYDJRT-JRPNMDOOSA-N 290.794 3.766 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 274737551 MWXGGYVJZRPVGT-HZPDHXFCSA-N 284.403 3.974 30 20 CHED CC(C)c1cccc2c1CCN(C(=O)CC(C)(C)C#N)C2 278800531 NPUITPDLTPTRJV-UHFFFAOYSA-N 284.403 3.635 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccccc1SCC 453335544 AHNREVQPZKUTRB-KGLIPLIRSA-N 279.449 3.776 30 20 CHED N#Cc1ccn(CCCc2ccccc2Br)c1 541290505 LBFFHYAHEZQAMZ-UHFFFAOYSA-N 289.176 3.755 30 20 CHED C=CCN(C(=O)c1ccc2c(c1)N(C)CC2)c1ccccc1 544387978 ROFDUMKJXRMKCO-UHFFFAOYSA-N 292.382 3.512 30 20 CHED CC[C@@H](CNC(=O)N1CCC(CC#N)CC1)c1ccccc1 543822641 ZCTCFGHWLSQDNW-INIZCTEOSA-N 299.418 3.515 30 20 CHED Cc1ccnc(N[C@@H]2CCCc3cnn(C(C)C)c32)c1C#N 364040980 XCPVNHYAXHSEBD-OAHLLOKOSA-N 295.390 3.529 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1cc(C)ccc1C)OCC 270024534 JUEYZUXYQLJWFO-INIZCTEOSA-N 275.392 3.638 30 20 CHED C=CCCC1(C(=O)N2CCc3c(F)cc(F)cc32)CC1 361575567 BZHTUGWJGRUSHH-UHFFFAOYSA-N 277.314 3.600 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(Cl)ccc1C)OCC 270141569 RUJVNYFJNGGIOW-AWEZNQCLSA-N 281.783 3.958 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 456828298 LFVLIWGRHIOBOL-ZIAGYGMSSA-N 263.768 3.526 30 20 CHED CCCCCN(C(=O)c1ccc(F)c(C#N)c1)C(C)C 279129414 BNRWKUJJUNXGNK-UHFFFAOYSA-N 276.355 3.738 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 276022481 CHYPVLVEMAMXOT-UHFFFAOYSA-N 298.390 3.529 30 20 CHED C=CCC(CC=C)c1nc(CCCOC(C)C)no1 273848069 KAJULCKWDMFNPT-UHFFFAOYSA-N 264.369 3.663 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC[C@@H](C)c1ccccc1 466387660 GEQQELARDPQTQY-WBVHZDCISA-N 286.419 3.930 30 20 CHED Cc1cc(CCNCc2cccc(C#N)c2)ccc1Cl 462914578 RLBDHYVGCNYKFZ-UHFFFAOYSA-N 284.790 3.852 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc(C#N)cc1 544826727 YDVZWUAPDXKFCW-CQSZACIVSA-N 278.355 3.666 30 20 CHED C[C@@H](CN(C)c1ccc(F)cc1C#N)c1ccccc1 462809877 JJBQKOARNOJNGQ-ZDUSSCGKSA-N 268.335 3.937 30 20 CHED CCC(CC)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1 288853485 AJSHZQFPAHYUOD-OAHLLOKOSA-N 294.358 3.695 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 280981585 BKCKBFSODVWMMC-GMTAPVOTSA-N 283.824 3.976 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC(C)C)c(C)c1 466646754 LAFOOOVFFWTIGM-UHFFFAOYSA-N 273.376 3.914 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2oc(C3CC3)nc2c1 285287245 UYFQKEVONNWOQS-INIZCTEOSA-N 283.331 3.584 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc3cc[nH]c3c2)no1 289186071 SMNMXMWFUFYPJM-QGZVFWFLSA-N 297.358 3.698 30 20 CHED C[C@H](C(=O)Nc1cc(F)cc(F)c1)c1cccc(C#N)c1 462291667 RQIYDFWQURDZBS-JTQLQIEISA-N 286.281 3.579 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CCC[C@@H]2CC)s1 460018624 JHITZDBAEDKUFI-GXFFZTMASA-N 276.405 3.947 30 20 CHED C=CC[C@H]1N(CCCO[C@@H]2CCCCO2)CCCC1(C)C 558737616 HFYSNWICOSIZTA-IAGOWNOFSA-N 295.467 3.986 30 20 CHED CCCOc1ccc(NC(=O)c2cc(C#N)oc2C)cc1 281374111 UBJLVZMCEDVNER-UHFFFAOYSA-N 284.315 3.501 30 20 CHED C[C@@H]1COCC[C@H]1CNc1ccc(C(F)(F)F)cc1C#N 557719214 RNDTWUIGWVVPHJ-MNOVXSKESA-N 298.308 3.662 30 20 CHED C=CCOCCCC(=O)N1CC(C)(C)[C@H]1c1cccs1 288400026 PABFDBUPFUVVAI-OAHLLOKOSA-N 293.432 3.640 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2cc(C#N)c3ccccc3n2)C1 554775593 DRPMLMBISUZFOB-OLZOCXBDSA-N 293.370 3.871 30 20 CHED C#Cc1ccc(CNc2ccc(OCC(F)F)cc2)cc1 809596674 AECOBEBVUDVZAV-UHFFFAOYSA-N 287.309 3.924 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(C)c(OC(F)F)c1 806271878 RFALNORRSPIYTB-LLVKDONJSA-N 296.317 3.520 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)o2)c(C)c1OC 806571236 RZSYZVRDNMPTNI-VURMDHGXSA-N 286.327 3.810 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCC[C@@H]1CCCF 800974694 QBVJBOJKRYOSGX-WBVHZDCISA-N 289.394 3.707 30 20 CHED COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 290142674 CGXZNQYQVPZRGS-MAZHCROVSA-N 292.810 3.699 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C/c2cccs2)cc1 809257408 DFHCPKMRKJLJEM-SCOAYWHSSA-N 296.395 3.705 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C)C1CC1)c1ccc(Cl)cc1F 804416987 MAPTYTMNGDOVQJ-MEBBXXQBSA-N 293.769 3.706 30 20 CHED Cc1cc(CNC(=O)CCCC#N)ccc1-c1ccccc1 291998885 WTXYPSWKOOSRJU-UHFFFAOYSA-N 292.382 3.972 30 20 CHED CCOc1cccc(/C=N/CC(C)(C)CCC#N)c1O 806550298 KMLOYEDFELWNJT-WOJGMQOQSA-N 274.364 3.540 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)[C@H]1c1cccnc1 292762750 JPKJAMNMSIZYRI-KRWDZBQOSA-N 295.361 3.675 30 20 CHED CCCCCCC(=O)N[C@H](C#N)c1ccc(CC)cc1 809258209 NUDFSNRTIPIWGI-MRXNPFEDSA-N 272.392 3.900 30 20 CHED CCCc1ccc(C(=O)N2CCC(CCC#N)CC2)cc1 566273970 HHYLWXIWCWATHW-UHFFFAOYSA-N 284.403 3.795 30 20 CHED CC[C@](C)(C#N)C(=O)OCCOc1cccc2ccccc12 803782553 QWBMDOZXAJNRRY-GOSISDBHSA-N 297.354 3.702 30 20 CHED C=CCCCCCCNC(=O)[C@H]1Cc2ccccc21 805218944 QHUBOEZNYWYOQW-INIZCTEOSA-N 257.377 3.579 30 20 CHED C#C[C@H](CC)NCc1cccc(OC2CCCC2)c1 809686578 ZPGNASIXEXNCKR-OAHLLOKOSA-N 257.377 3.509 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cc(C)cc(Cl)n1 800495893 QXVBOPIPDKVYMI-NEPJUHHUSA-N 252.789 3.734 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(Cl)c1 292212787 LWUAKGOFICZHTA-UHFFFAOYSA-N 251.757 3.559 30 20 CHED C#CCCCS[C@H](C)C(=O)Nc1ccccc1SC 808361996 CRXHQZZCIASDFU-GFCCVEGCSA-N 293.457 3.882 30 20 CHED N#Cc1cc2c(nc1N1CCC[C@@H]1c1ccsc1)CCC2 298731177 SJGNJBSVULNIKN-MRXNPFEDSA-N 295.411 3.845 30 20 CHED CCCCCCCN[C@H](C)c1ccnc(OC)c1 805834061 HQJSJPUMTOAQQR-CYBMUJFWSA-N 250.386 3.711 30 20 CHED COc1cc(CSCCO[C@@H](C)C#N)ccc1SC 802753191 WZRWFFUTUVMEII-NSHDSACASA-N 297.445 3.579 30 20 CHED C[C@@H](S[C@@H](C#N)C1CCCCC1)C(=O)OC(C)(C)C 479724527 WLIXMJGFDGSWOR-YPMHNXCESA-N 283.437 3.922 30 20 CHED C=C(C)CN(C)C(=O)CCCOc1ccc(Cl)c(C)c1 479344245 NMYREXBELXMOMM-UHFFFAOYSA-N 295.810 3.842 30 20 CHED C=C(C)COc1cccc(NC(=O)C(C)(C)C(F)F)c1 470879156 FOURNVDDQHRPPW-UHFFFAOYSA-N 283.318 3.871 30 20 CHED C=CCC[C@@H](CCC)NCc1cnn2ccccc12 566518660 SDFNAELLILMXRA-OAHLLOKOSA-N 257.381 3.559 30 20 CHED C=CCCc1ccccc1NC(=O)Nc1cc(CC)n(C)n1 817315405 BNQOEOGHSUDQHB-UHFFFAOYSA-N 298.390 3.745 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 816575780 ZBOZQUZKBQFRSE-AWEZNQCLSA-N 277.795 3.526 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 488433971 RXWZGNMICZUDDS-JKSUJKDBSA-N 296.524 3.537 30 20 CHED CC(C)OCCON=C1CC2(CCC2)Oc2ccccc21 812237543 FREUGMIDGVLNIX-UHFFFAOYSA-N 289.375 3.538 30 20 CHED CC[C@](C)(C#N)C(=O)OC[C@@H](C)C1CCCCC1 815244532 GNYQDYHRDFJITF-IUODEOHRSA-N 251.370 3.686 30 20 CHED C=CCC(F)(F)C(=O)OCc1c(C)cccc1C 815311380 IJJMGAZSUPDXJT-UHFFFAOYSA-N 254.276 3.558 30 20 CHED CC(=NOCCC1CC1)c1ccc(-n2ccnc2C)cc1 814245518 WCYRVRDKSFQRQK-UHFFFAOYSA-N 283.375 3.721 30 20 CHED C=CCOCCN1CCC(c2cc3ccccc3[nH]2)CC1 815028338 YEZDHPJMCBDREZ-UHFFFAOYSA-N 284.403 3.550 30 20 CHED CCCCCCCCOC(=O)c1ncn(C(C)(C)C)n1 812696607 ZGDOIVVPJBMYBU-UHFFFAOYSA-N 281.400 3.550 30 20 CHED CCCCCCCS(=O)(=O)Nc1cc(C2CC2)ccn1 811838214 ZIUPJJCTRLUGGG-UHFFFAOYSA-N 296.436 3.671 30 20 CHED CC(C)OCCON=C1CCC[C@H]1Cc1ccccc1 812238822 FXASKNWWVQBYRR-INIZCTEOSA-N 275.392 3.827 30 20 CHED C=CCC1(c2nc(C[C@H](C)COC)no2)CCCCC1 650656593 UQSANEFFVFIDCH-ZDUSSCGKSA-N 278.396 3.673 30 20 CHED C=C(C)CNc1cc(F)c(F)cc1N1CCCCC1 811786411 YLHRZLIRVUCMGJ-UHFFFAOYSA-N 266.335 3.943 30 20 CHED CC(=NOC/C=C\Cl)c1nc2ccc(Cl)cc2n1C 811672226 TZXXMTWFTMOHCB-AYKPBZQESA-N 298.173 3.720 30 20 CHED COC[C@@H](N[C@H](C)c1ccc(C#N)cc1Cl)C(C)C 574353425 IOSSSMJYSPIPFM-IAQYHMDHSA-N 280.799 3.533 30 20 CHED C#C[C@H](C)N(C)C(=O)NC1CCC(C)(c2ccccc2)CC1 812174492 RFUHQNGUCPGGJN-DMKPSLHHSA-N 298.430 3.550 30 20 CHED S=C(NN=Cc1cc2ccccc2o1)Nc1ccccc1 812384222 FSICNHFXLWBJTJ-UHFFFAOYSA-N 295.367 3.753 30 20 CHED C=CCCOC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 729072444 KDOZESHRZFAEHO-QLFBSQMISA-N 268.397 3.583 30 20 CHED CCOc1ccc(/C=C/c2ncccc2C#N)cc1 486052890 QBOIMXJALKXHEU-JXMROGBWSA-N 250.301 3.522 30 20 CHED CC[C@@H](C=NNc1ccc(Cl)nn1)c1ccccc1 814697779 CBDULJKTTUECEY-NSHDSACASA-N 274.755 3.722 30 20 CHED Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccccc1 728438315 UDRIJOGQIADJDJ-BQYQJAHWSA-N 281.142 3.623 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@@H]2CCCC[C@@H]2C)c1 726455635 QEGNODOFEKFKRL-XJKSGUPXSA-N 286.444 3.875 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)c(F)c(F)c1F 828363529 IQLGNRRUEXMMBO-SSDOTTSWSA-N 275.245 3.784 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 491808456 VYSYCDPOZUQAAU-KGLIPLIRSA-N 297.320 3.641 30 20 CHED FC(F)(F)c1ccc(C#CCN2CC[C@@H](C3CC3)C2)cc1 491279445 RGCZGECBIULXCU-OAHLLOKOSA-N 293.332 3.789 30 20 CHED COc1ccc([C@H](CCC#N)NC2CC(C)(C)C2)cc1 575883361 QMBIEXHGHAAHJN-INIZCTEOSA-N 272.392 3.818 30 20 CHED C=CCCCCSCC(=O)N(CC)CC(=C)C 579091877 FSQAFEGSCIKCJL-UHFFFAOYSA-N 255.427 3.501 30 20 CHED COc1cc(CN(CCC#N)CC(C)C)ccc1Cl 827873066 MSDVMVKHZIIYQS-UHFFFAOYSA-N 280.799 3.720 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCc2ccccc21 490040631 QNZGZWWAXYRISQ-MRXNPFEDSA-N 271.404 3.825 30 20 CHED C=C(C)CNC(=O)CCC(=O)c1csc2ccccc12 490068187 QYAJMHSTWRLHDV-UHFFFAOYSA-N 287.384 3.557 30 20 CHED C[C@@]1(NC(=O)CCCCCC#N)CCCc2ccccc21 588907241 ROEZKUPVLRYUGY-GOSISDBHSA-N 284.403 3.828 30 20 CHED CCCC[C@@H](NC(=O)C#CC(C)C)c1ccc(OC)cc1 826030296 VPXILCFNGLVOHB-QGZVFWFLSA-N 287.403 3.702 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc(C(=O)O)s2)c1 734981022 MCVZEIRIUOMGTH-HWKANZROSA-N 290.315 3.790 30 20 CHED C#CCN(C(=O)Nc1cc(Cl)cc2cccnc12)C1CC1 491764398 AIEFGEXHMZASBV-UHFFFAOYSA-N 299.761 3.518 30 20 CHED N#CC1(CN[C@@H]2CCCOc3c(Cl)cccc32)CCC1 903031149 IYWNIRCYKBWTAR-CQSZACIVSA-N 290.794 3.837 30 20 CHED Cc1cccc([C@H](C)OC(=O)COc2cccc(C#N)c2)c1 736027908 GIPVJYXCILWUBC-AWEZNQCLSA-N 295.338 3.550 30 20 CHED C=CCOc1ccccc1-c1nc(CCC(=C)C)no1 580677503 TWIGTIKBOALXMO-UHFFFAOYSA-N 270.332 3.810 30 20 CHED Clc1ccc2c(c1)C(=NNc1cnccn1)CCCC2 735226930 GJHKKODGIIFMFW-UHFFFAOYSA-N 286.766 3.673 30 20 CHED CC(C)(C/N=C\c1cccc(O)c1O)Cc1ccccc1 735229283 XUQIFRVBIRWCOF-UNOMPAQXSA-N 283.371 3.786 30 20 CHED C=CCCNC(=O)Nc1ccc(OC(F)F)c(Cl)c1 665182950 PUWIZCCJVVFEFL-UHFFFAOYSA-N 290.697 3.639 30 20 CHED C#CCC[C@@H](C)OC(=O)Cc1ccc(C(F)(F)F)cc1 839034539 RKUXXWMVAINUEE-LLVKDONJSA-N 284.277 3.593 30 20 CHED C#Cc1cccc(N(CC)C(=O)CO[C@H]2CCCC[C@@H]2C)c1 733105232 WLRCIRNOLMQOCS-YJBOKZPZSA-N 299.414 3.616 30 20 CHED C#CCCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730690057 AXVPEEFNSCGENL-NWDGAFQWSA-N 283.154 3.663 30 20 CHED C#CCCCCC(=O)NCC1(c2ccc(C)cc2C)CC1 833390247 WNPPGHHBOWOUIO-UHFFFAOYSA-N 283.415 3.645 30 20 CHED CC(=O)c1ccc(OCC2(C#N)CCC2)cc1Cl 902683168 WWERZUVTQGBLHI-UHFFFAOYSA-N 263.724 3.615 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cccc(OCC#N)c1)C2=O 730149974 NMPMSFBFHFWBBQ-MHWRWJLKSA-N 289.334 3.720 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(NC(C)=O)cc2)c1 588419195 GFTMULZRERFAMO-WDZFZDKYSA-N 295.338 3.550 30 20 CHED CCO[C@H]1C[C@@H](NC(=O)CCCCCC#N)C1(CC)CC 588160914 VRPJHOOERRCMOM-CABCVRRESA-N 294.439 3.560 30 20 CHED CC(C)CC[C@H](NC(=O)c1cccc(C#N)n1)C(C)(C)C 589422385 VCOLINAWDQKMGV-HNNXBMFYSA-N 287.407 3.534 30 20 CHED N#Cc1ccc(COC(=O)/C=C\Sc2ccccc2)cc1 730035217 SULXOGQRTUBRQL-KHPPLWFESA-N 295.363 3.907 30 20 CHED N#CCc1cccc(C(=O)Oc2cc(Cl)ccc2F)c1 735454912 FIMOIDRPOLLLHQ-UHFFFAOYSA-N 289.693 3.764 30 20 CHED C#CCOc1ccc(CN[C@H](C)Cc2ccccc2C)cc1 733325068 VGLXKEXNAWBBGP-QGZVFWFLSA-N 293.410 3.728 30 20 CHED CCC(=NN[C@@H]1CCc2c(F)cccc21)c1ccncc1 835020603 IULBUXOEARVZKY-QGZVFWFLSA-N 283.350 3.612 30 20 CHED COc1ccc(O)c(C=Nc2cc(F)c(OC)cc2C)c1 588507104 YWBLMQCUKNRHOY-UHFFFAOYSA-N 289.306 3.608 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CCC(O)CC1 735880122 NWSPUGNEUIWHFJ-ZHACJKMWSA-N 281.440 3.667 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2ccncn2)cc1 835002371 PKGWEUPXRNPNCJ-CQSZACIVSA-N 266.348 3.521 30 20 CHED C=CCOCC(=O)OCCCc1cccc2ccccc12 736816802 DNGGQZZFUCGFMO-UHFFFAOYSA-N 284.355 3.518 30 20 CHED CC(C)=CCC[C@H](C)CC=NNc1cc(C)ncn1 731934598 DJCDUFLARDDVDU-ZDUSSCGKSA-N 260.385 3.955 30 20 CHED CCCCNN=Cc1c(Cl)cccc1OC(F)F 732925101 RFFWQDWQJCFQSW-UHFFFAOYSA-N 276.714 3.665 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2ccccc2Cl)C1 839043143 KDBSIBPMSAZQGB-DGCLKSJQSA-N 277.751 3.508 30 20 CHED CC(=NNCc1cccc2cccnc12)c1csc(C)n1 915963331 SJMSOVWBCCEXOZ-UHFFFAOYSA-N 296.399 3.514 30 20 CHED Clc1cnc2oc(C=NN[C@@H]3C[C@H]4CC[C@H]3C4)cc2c1 834968219 HVJILPYKBDEJQM-PKFCDNJMSA-N 289.766 3.593 30 20 CHED C#CCNC(=O)Nc1ccccc1Oc1cccc(C)c1 915313454 YYBSIEATBJECHZ-UHFFFAOYSA-N 280.327 3.542 30 20 CHED C=CCNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 733785333 WIMPWBHMTJDUJL-SDNWHVSQSA-N 287.359 3.730 30 20 CHED CC1=CC(=NNc2ncccc2C(F)(F)F)CC1 915050804 CUOQVERKVRMAQN-UHFFFAOYSA-N 255.243 3.608 30 20 CHED C#CC1CCN(C(=O)Nc2ccccc2C(C)C)CC1 831057734 OUMSGPQQDGGCSX-UHFFFAOYSA-N 270.376 3.687 30 20 CHED Cc1ccc(CCCN2CCC[C@@H](CC#N)C2)cc1 595621091 TUMQOCDITPADQQ-KRWDZBQOSA-N 256.393 3.553 30 20 CHED C[C@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)C(C)(F)F 598886591 VZTJRQUSFQSQBO-LLVKDONJSA-N 292.329 3.735 30 20 CHED CC[C@@H](OC(=O)CCCCCC#N)c1ccncc1 839009657 VPUOPKXGOFTGAZ-CQSZACIVSA-N 260.337 3.550 30 20 CHED CC1(C)CC(CNC[C@@H](C#N)CCC#N)CC(C)(C)C1 594719212 AOGFXJWDFZZYEH-CQSZACIVSA-N 275.440 3.872 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 593980900 CSTFWQLNPHSCCT-QAPCUYQASA-N 298.430 3.774 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1cccc(C2CC2)c1 836311950 SGYJDIOEUAGPLD-LLVKDONJSA-N 278.783 3.677 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccnc1Oc1ccccc1 679226752 CHIGAGJKWZOAKF-UHFFFAOYSA-N 297.358 3.914 30 20 CHED C[C@H](NC(=O)C(C)(C)C1CCC1)c1cccc(C#N)c1 590673147 RDTNMEGYCWCGRR-LBPRGKRZSA-N 270.376 3.562 30 20 CHED C=CCOc1ccc(OC(=O)c2cccc(COC)c2)cc1 742862061 NXDOTSMSGWOCJD-UHFFFAOYSA-N 298.338 3.617 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)C1CCSCC1 851144572 RXLOEHJGXXXEOX-JSGCOSHPSA-N 268.422 3.808 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1ccc(F)cc1F 748998086 JRTDNTYRUPFSSQ-KTAJNNJTSA-N 279.673 3.909 30 20 CHED C=CCCCC(=O)N(C)[C@@H](C)CSc1ccccc1 844682311 FIRSMSVCGLGUKU-AWEZNQCLSA-N 277.433 3.982 30 20 CHED CCCCCC[C@H](C)NN=C(C)c1cncs1 743450541 LTSQEHXOJQSVCX-NSHDSACASA-N 253.415 3.816 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 593707000 DLDWGJJYJHXXML-VXGBXAGGSA-N 284.334 3.706 30 20 CHED C=CCCSCCNCc1cc2ccccc2[nH]1 594960329 OGCZGGUKJZFSFB-UHFFFAOYSA-N 260.406 3.567 30 20 CHED C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 912345527 WFWCPFLYOCPACR-IUODEOHRSA-N 294.826 3.543 30 20 CHED Cc1ccoc1C(=O)OCCC1(C#N)CCCCC1 840052488 DCVZAPBLSJIIGL-UHFFFAOYSA-N 261.321 3.609 30 20 CHED C[C@H]1CN(C(=O)/C=C\c2ccccc2C#N)c2ccccc21 915634253 BKSAIISKTFMOAM-BMSUMIBZSA-N 288.350 3.722 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)/C=C\Sc1ccccc1 749616083 UCEDHBNACLDHFU-YDZSZYSISA-N 288.416 3.737 30 20 CHED C=CCCCCCCNC(=O)c1ccc(C(F)F)nc1 847050502 VJGBRJKHUIBNRI-UHFFFAOYSA-N 282.334 3.886 30 20 CHED C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCc2ccc(Cl)cc21 593066722 PNCXYQAJTBMQEC-IOASZLSFSA-N 288.822 3.994 30 20 CHED CC(C)CCN(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 591407444 DGYHJSMYYVAXLY-QGZVFWFLSA-N 299.418 3.623 30 20 CHED CCO[C@H]1CC(=NNc2cccc(OC)c2)C12CCCC2 743432688 PQAAQVVSMRVQNW-INIZCTEOSA-N 288.391 3.832 30 20 CHED CC(C)Cn1nccc1/C=C1\C(=O)c2ccccc2[C@@H]1C 843268722 MNVIZYAHSACXBE-NWRYFCBHSA-N 280.371 3.923 30 20 CHED CCCOc1cccc(N=Cc2ccccc2O)c1 915112779 FYAXNSSGCZRCLR-UHFFFAOYSA-N 255.317 3.932 30 20 CHED N#CCC1(COC(=O)c2c[nH]cc2-c2ccccc2)CC1 849690434 SPZITWWDNINZOT-UHFFFAOYSA-N 280.327 3.532 30 20 CHED CCCCNN=Cc1ccc(Br)cc1Cl 743437970 PVSPJLZRJLLXTM-UHFFFAOYSA-N 289.604 3.826 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2CC23CCC3)CCCC1(C)C 683457877 PBQJGBQMISYFOW-UONOGXRCSA-N 261.409 3.770 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CC2CC2)cc1 916947977 CZGUJTZHWQNQIH-WBMJQRKESA-N 298.386 3.648 30 20 CHED C=C(C)CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 744300155 QQYSHMKTVPTGFZ-UHFFFAOYSA-N 289.375 3.601 30 20 CHED CCCCCc1ccc(Oc2cc(C#N)cnn2)cc1 596052894 ASMLVLAMFRTSIP-UHFFFAOYSA-N 267.332 3.873 30 20 CHED N#CC1(CC(=O)Nc2cc3c(cn2)CCCC3)CCCCC1 597688200 VDNBNURCSRZCAZ-UHFFFAOYSA-N 297.402 3.763 30 20 CHED CCc1cccc2cc(CNCCCCC#N)oc12 594926174 NCDDNOSYWVQOAW-UHFFFAOYSA-N 256.349 3.779 30 20 CHED COCC1CCC(Nc2nc3ccccc3cc2C#N)CC1 840369474 MMEXKQVEZAABCI-UHFFFAOYSA-N 295.386 3.724 30 20 CHED Clc1cc(Cl)c2c(c1)OCC2=NNc1ccccn1 743426172 KSJLKCALQCGNDP-UHFFFAOYSA-N 294.141 3.597 30 20 CHED COc1ccc(C=NNc2ccc(Cl)nc2)cc1Cl 743450494 SFJRENATZCQVAH-UHFFFAOYSA-N 296.157 3.843 30 20 CHED CCSc1ccccc1COC(=O)CC(C)(C)C#N 922656669 PNZGKIXMGVYMMS-UHFFFAOYSA-N 277.389 3.782 30 20 CHED CCC(CC)CNC1CCN(Cc2cccc(C#N)c2)CC1 593687179 DBSNPZYTCMIHNS-UHFFFAOYSA-N 299.462 3.548 30 20 CHED O=C(C#CC1CC1)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 840509671 JYGSQNGOKQNFCE-HOCLYGCPSA-N 287.790 3.506 30 20 CHED Cc1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)nc1 590754931 TTXGZBSDSGSYHJ-UHFFFAOYSA-N 293.414 3.823 30 20 CHED CO[C@@H]1CCOc2c(N[C@@H](C)CC(C)(C)C#N)cccc21 926327889 JOJQLFBDOPEMHE-SWLSCSKDSA-N 288.391 3.897 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=Cc1cc(F)ccc1F 747060254 MYRSUAYPJKPDIA-UHFFFAOYSA-N 291.257 3.627 30 20 CHED Cc1cccc([C@@H](C)C/N=C/c2ccccc2O)c1 741165513 NDLCEZNTKPUVDN-QCUKBLKESA-N 253.345 3.923 30 20 CHED C[C@H]1/C(=C/c2ccc(C#N)s2)C(=O)c2c(O)ccc(F)c21 749000243 WINYELZVBHBHAJ-OITNDJBGSA-N 299.326 3.848 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C(/C)C(C)(C)C 742708286 SCQRMBOZXLSFQD-BENRWUELSA-N 289.350 3.769 30 20 CHED CC(=NNc1cc(C)ncn1)c1cc2ccc(C)cc2o1 754942661 DDRVUDDJGJJHFL-UHFFFAOYSA-N 280.331 3.676 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCCOc2cc(F)ccc21 925972355 FNWOUCSBJMNZFX-WFASDCNBSA-N 290.382 3.957 30 20 CHED CCc1nn(C)c(CC)c1C=NNc1cc(C)ccc1C 755563154 ALZLNRFIBQAYGR-UHFFFAOYSA-N 284.407 3.608 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 854170649 WOYNMENQFQJZCQ-CQSZACIVSA-N 293.370 3.997 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O 756791691 UHGZFLJQKMFCDI-NEPJUHHUSA-N 278.352 3.696 30 20 CHED COCC#CCN[C@@H](c1c(Cl)cccc1Cl)C1CC1 685587777 XJHKANQMZBVHPS-OAHLLOKOSA-N 298.213 3.684 30 20 CHED C=CCOc1ccc(-c2nc(-c3cc(C)ccn3)no2)cc1 680682304 PGMOWCWQKQCSKJ-UHFFFAOYSA-N 293.326 3.672 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc(CCC)cc1 921218425 ILTBPUFNTCZCSM-AWEZNQCLSA-N 276.376 3.664 30 20 CHED C=CCc1cc(OC)cc(CN(C)[C@@H](C)C(C)C)c1O 754726608 RLOSXRIGPCUNHI-ZDUSSCGKSA-N 277.408 3.606 30 20 CHED C[C@H](OC(=O)c1cc(C#N)cs1)c1cc(F)cc(F)c1 755396335 XWBUHOPJRSKUOZ-QMMMGPOBSA-N 293.294 3.816 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1ccc(F)cc1F 750396376 YQJCAZLYRMZTNW-MRVPVSSYSA-N 293.294 3.816 30 20 CHED Fc1cc(F)cc(NN=Cc2c[nH]c3ccccc23)c1 920376826 VBMOLZJGZSPSPL-UHFFFAOYSA-N 271.270 3.892 30 20 CHED CC[C@@H]1CC(=NNc2ccc3ccccc3n2)CCO1 756820959 RLBHRBJDUMLTIB-CQSZACIVSA-N 269.348 3.592 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCCC1(C)C 851205207 CZUBNUAKGTYAQJ-VXGBXAGGSA-N 251.370 3.684 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1ccoc1 755891468 GQXDHTAWUIJDSW-UHFFFAOYSA-N 269.226 3.530 30 20 CHED CC(C)COc1ccc(/C=C2\CCn3nccc3C2=O)cc1 853009574 LWGFGDBYUSFLBD-RVDMUPIBSA-N 296.370 3.588 30 20 CHED C#CCCOC(=O)Oc1ccc(OCC2CC2)c(Cl)c1 859169163 AEWACAIRVUJSST-UHFFFAOYSA-N 294.734 3.668 30 20 CHED CCOCOc1ccc(CNc2ccc(CC#N)cc2)cc1 759134706 JDWKZGGLJSFPRQ-UHFFFAOYSA-N 296.370 3.738 30 20 CHED C#CCCCC(=O)N1CCCc2cc(C(C)C)ccc21 758032510 VDKPDQPAIMLSHK-UHFFFAOYSA-N 269.388 3.893 30 20 CHED N#Cc1ccc(NC(=O)/C=C/c2ccc3[nH]ccc3c2)cc1 765543964 QHQDNDRUHLZCEU-XBXARRHUSA-N 287.322 3.691 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1N(C)C 765012659 FOEVPXRAOLUOJW-CYBMUJFWSA-N 297.377 3.614 30 20 CHED C=CCCC[C@@H](C)Nc1nc(C(C)(C)OC)ns1 865659417 KCWVSUKNIJSGOG-SNVBAGLBSA-N 269.414 3.576 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2C[C@H]2c2ccco2)CCCC1(C)C 863910665 ZYYGZZUTEWLTRL-IIAWOOMASA-N 287.403 3.976 30 20 CHED CC[C@H](C)N(C(=O)Cc1ccccc1CC#N)[C@@H](C)CC 767504280 FLAMHPRWXHQION-GJZGRUSLSA-N 286.419 3.721 30 20 CHED COc1cccc(N=Cc2cc3ccccc3nc2O)c1F 769718871 VQVPNODWHNDESZ-UHFFFAOYSA-N 296.301 3.839 30 20 CHED CCCCCCCNC(=O)c1cccc([C@@H]2CCOC2)c1 862358135 VWJFNPXMEZQFCC-QGZVFWFLSA-N 289.419 3.891 30 20 CHED C=CCC1(C(=O)NCc2cc(C)ccc2O)CCCCC1 862754380 CIEFBXUFWIAWSG-UHFFFAOYSA-N 287.403 3.843 30 20 CHED Cc1c(NC(=O)C2(C#N)CCC2)cccc1C(F)(F)F 132333770 GJSUINBEWUQMKC-UHFFFAOYSA-N 282.265 3.646 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2cc3ccccc3o2)c1 763171716 ZLDOSMLCJGCQGV-SREVYHEPSA-N 296.278 3.709 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1sccc1O 769792106 GEUGTUBZTLFUSF-UHFFFAOYSA-N 280.780 3.621 30 20 CHED CCC(=NNCc1ccc(C#N)cc1)c1cccs1 769821922 CXCVQPGBTUNMBO-UHFFFAOYSA-N 269.373 3.524 30 20 CHED Cc1cccc(-c2cccc([C@@H]3CCNC3)c2)c1C#N 863690221 NDSHTPIRAFDEGI-MRXNPFEDSA-N 262.356 3.611 30 20 CHED Cc1cc(C=NOCC(F)(F)F)cc(C)c1OC(F)F 764835571 LSBHNEMSLPUQPK-UHFFFAOYSA-N 297.223 3.818 30 20 CHED CCC[C@H](C=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 769569450 GLQAIOKRJYUVQB-CQSZACIVSA-N 298.346 3.971 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1C(F)(F)F 875928527 URBKNURPHKKNCD-NSHDSACASA-N 265.319 3.900 30 20 CHED C#CC[C@H](NCc1nc(CCC(C)C)no1)c1ccccc1 775399002 DJYLLIMWOVMUFB-INIZCTEOSA-N 297.402 3.512 30 20 CHED C[C@@H](c1nc2ccccc2s1)N(C)CCCCC#N 57620422 RBTSSSLHRASAPN-LBPRGKRZSA-N 273.405 3.983 30 20 CHED C[C@H](OC(=O)[C@H](F)Cc1ccccc1)c1cccc(C#N)c1 778301947 VMZZZJUSZGTWDN-SUMWQHHRSA-N 297.329 3.743 30 20 CHED CCc1cnccc1[C@@H](C)/N=C\c1c(O)cccc1OC 773152643 RTJJNXSUYFFWLI-ZDFPAGSVSA-N 284.359 3.538 30 20 CHED O=C(O)c1cccc(/C=C2\Cc3ccc(Cl)cc3C2=O)c1 774134536 LFALUYQPOCNXRG-NTUHNPAUSA-N 298.725 3.861 30 20 CHED C#CC[C@H](NCc1ccc(C)nc1C)c1ccccc1 775652452 HBWNMOJHTHYXNI-SFHVURJKSA-N 264.372 3.553 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C1/CC[C@H](C)C1 770334505 RYSSRHIYDIPWBQ-KWJWQAOWSA-N 254.333 3.552 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cc(F)cc(Cl)c1 875881339 XMVUSKVBMOCJPQ-UHFFFAOYSA-N 269.703 3.714 30 20 CHED C=CC[C@@H](C(=O)OCCCCC(C)=O)c1ccccc1 778427668 NPQQHGIGWGQPPV-MRXNPFEDSA-N 274.360 3.649 30 20 CHED CC[C@@H](C)NN=C(C)CCc1c[nH]c2ccccc12 872368079 CSXQCSGGFDPNRV-GFCCVEGCSA-N 257.381 3.865 30 20 CHED Clc1c(C=NN=c2cc[nH]cc2)sc2ccccc12 779808641 FGPHAXXMFARGOR-UHFFFAOYSA-N 287.775 3.818 30 20 CHED C=C(Cl)CN1CCC(c2cccc(F)c2F)CC1 770686871 IUJAKYIQUDYRNF-UHFFFAOYSA-N 271.738 3.897 30 20 CHED C=C(CC)COC(=O)/C=C(\C)c1ccccc1OC 773504673 DVSVXEPAOXYHQK-JLHYYAGUSA-N 260.333 3.608 30 20 CHED C#CCOc1ccccc1CN1CC[C@@H]1c1ccccc1 771941132 YEUAGGQMJJRXTQ-GOSISDBHSA-N 277.367 3.646 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(CF)cc1 1127458588 NWNPAKBWLODBAS-GFCCVEGCSA-N 298.317 3.699 30 20 CHED COc1cccc(/C=N/[C@H]2CC23CCCCC3)c1O 770566954 BZARRRDSHVFCGU-MPMPPSQCSA-N 259.349 3.543 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2nc3ccccc3cc2C#N)CCO1 771711610 YZTYXBHGSKTDJO-WBVHZDCISA-N 295.386 3.722 30 20 CHED FC(F)(F)CCON=Cc1nccc2ccccc12 777456216 UBNXBQMOAQYILH-UHFFFAOYSA-N 268.238 3.538 30 20 CHED COc1ccc(NN=CC2CCC(C)(C)CC2)nc1 780275081 OERKIMAATRKADS-UHFFFAOYSA-N 261.369 3.704 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@H](C)CC2)c1 785474906 KWBPGBYZQBEJPE-DZGCQCFKSA-N 286.444 3.923 30 20 CHED N#CCc1cccc(C(=O)Nc2c(F)cccc2Cl)c1 1127904008 KBTXPIAJYOSKAH-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C#CCCCCC(=O)OCc1ccc(F)c(Cl)c1 787770925 QOJFWGDHJWQTHM-UHFFFAOYSA-N 268.715 3.716 30 20 CHED C=CCCN(C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 786443158 HKNHWVRUDIKXIX-CQSZACIVSA-N 282.387 3.675 30 20 CHED COc1ccc(NN=C2CCc3ccc(Cl)cc32)nc1 780275121 QGMGHGZYKRGXER-UHFFFAOYSA-N 287.750 3.506 30 20 CHED C=C[C@@H](CC(=O)OCc1ccc(F)cn1)c1ccccc1 787762671 QWDOYXPONYDTFB-ZDUSSCGKSA-N 285.318 3.624 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 76068209 ZLWIODONMJJDNJ-HOTGVXAUSA-N 274.433 3.664 30 20 CHED COc1ccc(C)cc1COc1ccc(C#N)c(C)c1 1473024891 FUDNPAQWPOZTHF-UHFFFAOYSA-N 267.328 3.763 30 20 CHED C=C1CC(c2noc([C@@H]3CCc4cc(OC)ccc4C3)n2)C1 896875661 KDYQJGUMYFJLTE-CQSZACIVSA-N 296.370 3.784 30 20 CHED Cc1csc(C[S@](=O)CCCCC2(C#N)CCC2)n1 899394291 FTGUINCCTRKFFM-LJQANCHMSA-N 296.461 3.564 30 20 CHED CC(C)N(C(=O)[C@H](C#N)CCc1ccccc1)C1CCCC1 1136683219 VFSJQGUCNKRBBA-KRWDZBQOSA-N 298.430 3.939 30 20 CHED C[C@H](NC(=O)NCCCC#N)c1csc2ccccc12 784299705 VJOSZSYGGKMUDR-NSHDSACASA-N 287.388 3.565 30 20 CHED C=C1CC(c2noc([C@H]3Cc4ccccc4S3)n2)C1 896890465 RGDYTMNUKFFOJG-CYBMUJFWSA-N 270.357 3.893 30 20 CHED Cc1cccc2c1OCC[C@@H]2OC(=O)c1cc(C#N)cs1 789507566 RJSUXLAJHOZMOF-ZDUSSCGKSA-N 299.351 3.609 30 20 CHED N#Cc1sc(N[C@@H]2CCCc3cccnc32)nc1Cl 896412583 YAPBDYVLLJBAGC-SECBINFHSA-N 290.779 3.553 30 20 CHED N#C[C@@H]1CCC[C@H](NCCC2CCC(F)(F)CC2)C1 898031904 QVVQNEYSZYUXCT-KGLIPLIRSA-N 270.367 3.874 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CCC(F)(F)C2)C(C)C)c1 796644462 WPFQUASZFMYJQF-CQSZACIVSA-N 291.341 3.845 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cc1F 799896227 HNZCQISKDBEUES-GQCTYLIASA-N 274.291 3.940 30 20 CHED CC1(C)CN(c2nc(C(F)(F)F)ccc2C#N)C1(C)C 690301127 PTNQAMALEYJJTK-UHFFFAOYSA-N 283.297 3.597 30 20 CHED C[C@H](NN=C/C=C\c1ccc(F)c(F)c1)C(C)(C)C 793113543 AYCYAODYZMTTMB-CHITYWFKSA-N 266.335 3.988 30 20 CHED C#CCCCCC(=O)Nc1cccc(NCC(F)(F)F)c1 791285023 AWLCBUNGZLBVCU-UHFFFAOYSA-N 298.308 3.793 30 20 CHED Cc1cccnc1NN=Cc1sccc1Br 790193267 AKAWGNMPHNJWTA-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C=CCCCOC(=O)c1ccc(Br)cc1OC 735535785 ZCHHEZXPBQKASZ-UHFFFAOYSA-N 299.164 3.581 30 20 CHED Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1 797612256 WCQLOUFFDJTUOA-LHNRBYRGSA-N 293.366 3.611 30 20 CHED Cc1cc(Oc2ncncc2Cl)c(C)c(C)c1C#N 588081888 RESMUDPOUUHKKT-UHFFFAOYSA-N 273.723 3.719 30 20 CHED C[C@@]1(C=NNc2cc(F)cc(F)c2)CCCS1 792987806 UULJUSOFDUQCIG-LBPRGKRZSA-N 256.321 3.648 30 20 CHED CC(=NNc1ccccc1OC(F)(F)F)c1cc(C)on1 790298730 QPIDSKZBVOIUKE-UHFFFAOYSA-N 299.252 3.718 30 20 CHED Brc1cncc(NN=C2CCC3(CC2)CC3)c1 792635172 OHUPDZBLFUGLSY-UHFFFAOYSA-N 294.196 3.966 30 20 CHED C/C(=C\Cl)CS[C@@H](C)C(=O)Nc1cccc(C#N)c1 797815556 SXODSXHLOXTLLW-HUYFXPKMSA-N 294.807 3.761 30 20 CHED N#Cc1cc(C(=O)Oc2ccc(Cl)c(F)c2)ccc1F 790891456 QTGQZJDMQPWYHR-UHFFFAOYSA-N 293.656 3.709 30 20 CHED Cc1cc(C#N)cc(NC(=O)C23CCC(CC2)CC3)c1 710104220 IXXRFJGMAWTGNG-UHFFFAOYSA-N 268.360 3.776 30 20 CHED C=CCC1(C(=O)OCc2ccc(-n3cccn3)cc2)CCC1 791558352 LMTYYZUCKWVDNV-UHFFFAOYSA-N 296.370 3.662 30 20 CHED Cn1ccnc1NN=C1CCC(c2ccccc2)CC1 790300666 XREAPTRYUFVNFV-UHFFFAOYSA-N 268.364 3.546 30 20 CHED CCCCCCCS(=O)(=O)N[C@H](C)c1ccccc1 799742643 DDFZKLMCSPOATO-CQSZACIVSA-N 283.437 3.637 30 20 CHED CC[C@@H](C)NN=Cc1cnc(-c2ccccc2)s1 790182338 JEEGGANTVDRMRG-LLVKDONJSA-N 259.378 3.532 30 20 CHED C=CC[C@H](CC)N[C@H](CC)c1ccc(F)cc1O 796976248 AKXYAGOGCGAADU-GXTWGEPZSA-N 251.345 3.927 30 20 CHED CN(C)c1ccccc1CNN=Cc1coc2ccccc12 794957346 SCMBMIMZOKSKGV-UHFFFAOYSA-N 293.370 3.623 30 20 CHED COCCN(C)N=C1C[C@@H](C)C[C@H](c2ccccc2)C1 794965938 GQAIARHDDFVZNZ-HOCLYGCPSA-N 274.408 3.524 30 20 CHED C=C(Cl)CNC(=O)NCC1(CC(C)C)CCCC1 1223556367 NUDRLPLSZRLKKI-UHFFFAOYSA-N 272.820 3.645 30 20 CHED Cc1cc(N2CCC[C@@](C)(c3ccccc3)C2)c(C#N)cn1 1306964996 PZAZECYXBPRTFF-LJQANCHMSA-N 291.398 3.820 30 20 CHED C=C(Cl)CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 1307955803 FTEBORFHZZQAKJ-GFCCVEGCSA-N 271.738 3.897 30 20 CHED Cc1ccnc(NN=C2CCOc3c(C)ccc(C)c32)c1 1319061281 WUTZPGMNQPWGKZ-UHFFFAOYSA-N 281.359 3.606 30 20 CHED C=CCCOCC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 1319543621 UZOVVXZMPVMWFG-IEBWSBKVSA-N 299.414 3.507 30 20 CHED Fc1ccc(CNN=Cc2cscc2Cl)cc1 1319315255 LVTFDXZKLRTALK-UHFFFAOYSA-N 268.744 3.664 30 20 CHED C=CCCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 163896884 GCFWCJPMZPNJJJ-JTQLQIEISA-N 259.271 3.812 30 20 CHED CSc1cccc(NC(=O)CC#Cc2ccccc2)c1 1323859033 VVQILQHLEDCEGN-UHFFFAOYSA-N 281.380 3.789 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)o1 1327355883 ZDFFMWDVXVKCIQ-GFCCVEGCSA-N 283.375 3.876 30 20 CHED N#Cc1c(F)cccc1NCCCCOc1ccccc1 1248474962 XTIXFLXYLAGNNI-UHFFFAOYSA-N 284.334 3.968 30 20 CHED N#Cc1cccc(-c2nnc(/C=C\c3ccccc3F)o2)c1 1322997407 SMABWLRFQZCEBS-HJWRWDBZSA-N 291.285 3.918 30 20 CHED Cc1ccccc1N(C(=O)c1csc(C#N)c1)C(C)C 1325682764 GPJHXBPODRDXCY-UHFFFAOYSA-N 284.384 3.983 30 20 CHED CC[C@](C)(C#N)c1nnc(-c2cccc(OC(F)F)c2)o1 1333121387 JLKHLGHTOJLSKZ-CQSZACIVSA-N 293.273 3.529 30 20 CHED C=C(C)CCC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 1338852963 UAHCPQPSMCYOHD-GOEBONIOSA-N 257.377 3.747 30 20 CHED Cc1nc(C)c(C=NNCc2ccccc2Cl)s1 1253174792 ZOGRIHNSNLETSW-UHFFFAOYSA-N 279.796 3.537 30 20 CHED COc1ccc(SCC2(C#N)CC2)cc1Br 1335138067 OZWGBDHWYLAWAD-UHFFFAOYSA-N 298.205 3.854 30 20 CHED C[C@@]1(CCOC(=O)c2ccc(C#N)cc2F)C[C@@]1(F)Cl 1343754272 HXIUXLMUTQIOTO-KGLIPLIRSA-N 299.704 3.559 30 20 CHED CC[C@@H](C)CC(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1263619955 HXWVDTAVLHAWLH-ZJUUUORDSA-N 289.766 3.829 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1346095267 BFOWTRGJFSNNHI-KLHDSHLOSA-N 299.418 3.686 30 20 CHED Cc1ccc(NC(=O)c2ccc(C#N)cc2F)c(Cl)c1 1355558286 BEGQROUVBVQBNQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#CC[C@H](OC(=O)[C@H]1CC2CCC1CC2)c1ccco1 1350312407 VMUCWIVUWTVVDW-DVTFPSANSA-N 273.332 3.604 30 20 CHED C#CCC(C)(C)c1nc(C23CC4CC(CC(C4)C2)C3)no1 1353963338 PJGHTUKBWCOOGI-UHFFFAOYSA-N 284.403 3.838 30 20 CHED C=CCCCCCCCCN[C@@H]1CCOC[C@@H]1C 806175791 FMQBZDAJVUIDTD-JKSUJKDBSA-N 253.430 3.918 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1cc(F)cc(C#N)c1 1438460088 GAYYYZACXRMHTE-NSHDSACASA-N 262.328 3.708 30 20 CHED Cc1cccc(O[C@H](C)C(=O)O[C@@H](CC#N)c2ccco2)c1 1526994123 ZZLRQYLCLHIEQO-CJNGLKHVSA-N 299.326 3.554 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1F 1525019120 QOIGLTPQCBBCFQ-LLVKDONJSA-N 274.339 3.852 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NC[C@@H](C)CC(F)(F)F 1521567958 UDHPLBUXYDGMKA-RYUDHWBXSA-N 292.345 3.715 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(C(=O)O)co2)ccc1Cl 1600186805 XBIZDPNYIACSOZ-HYXAFXHYSA-N 290.702 3.836 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1534068182 YFGGAOUUYCNJJF-MRXNPFEDSA-N 284.363 3.589 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](CC)Sc1ccccc1 1617776091 LYCHHIKYTGGLPI-DZGCQCFKSA-N 290.432 3.708 30 20 CHED CC[C@H]1CCC[C@H]1CNc1ccc(Cl)c(C#N)n1 1472786762 RGQWQZMYWUVKNA-QWRGUYRKSA-N 263.772 3.845 30 20 CHED C=C(CC(C)C)C(=O)NC1(c2ccc(C#N)cc2)CCC1 1548726844 MSNGOLPLGSZZHS-UHFFFAOYSA-N 282.387 3.656 30 20 CHED O=C(/C=C/c1ccsc1)c1cccc([N+](=O)[O-])c1 5128412 KRTGRRPQETUQCN-SNAWJCMRSA-N 259.286 3.552 30 20 CHED C=CCOc1ccccc1CNCC1(SC)CCC1 227945474 GVGZATJJSUPUGJ-UHFFFAOYSA-N 277.433 3.627 30 20 CHED C[C@@H](c1nccc2ccccc12)N1CCC[C@](C)(C#N)C1 1621196753 MHTZPRJTTFJHPA-KBXCAEBGSA-N 279.387 3.921 30 20 CHED CCN(Cc1ccc(C)cc1)c1ccc(Cl)c(C#N)n1 1639349478 HJFMNOAUBCSCKB-UHFFFAOYSA-N 285.778 3.942 30 20 CHED CCOCCCCNc1ccc(C(F)(F)F)cc1C#N 122327560 OHBBQOVCTBAABS-UHFFFAOYSA-N 286.297 3.806 30 20 CHED C=CC[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1 35051610 QMQRSIPGNNMLQN-CYBMUJFWSA-N 265.328 3.968 30 20 CHED Cc1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)ncc1C#N 1585003349 UPSHPUVRFZPYQZ-VNQPRFMTSA-N 297.402 3.807 30 20 CHED Cc1cscc1NC(=O)Nc1cc(C#N)c(F)cc1F 1664255862 KIWYNCNYZBIQDH-UHFFFAOYSA-N 293.298 3.850 30 20 CHED Cc1ccccc1C[C@@H](C)NC(=O)Nc1sccc1C#N 1671445631 WIOPQKKLLYODQU-GFCCVEGCSA-N 299.399 3.681 30 20 CHED C=CCc1ccccc1CN[C@@H]1CCC[C@H](C(=O)O)CC1 1776189702 ROXATLWLGCPRAL-DOTOQJQBSA-N 287.403 3.538 30 20 CHED C=C1CCN([C@@H](C(=O)O)c2cccc3ccccc23)CC1 1776145949 XCTCERYXDKCQOX-QGZVFWFLSA-N 281.355 3.618 30 20 CHED N#CCOC(=O)c1sc2cc(Cl)ccc2c1Cl 5888140 WBYVLMKUCOFDHL-UHFFFAOYSA-N 286.139 3.888 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccccc1OCC1CC1 150812220 DNMRWKHDMXZWFP-UHFFFAOYSA-N 299.414 3.860 30 20 CHED CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1 150828940 IABWZLMVARTYQC-UHFFFAOYSA-N 298.729 3.667 30 20 CHED CC(C)c1noc(OCc2ccccc2C(C)(C)C#N)n1 163105477 VDQSDZRBBXUIOQ-UHFFFAOYSA-N 285.347 3.573 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1cccc(F)c1F 165724980 QKONZQIEEJDZSC-LLVKDONJSA-N 282.334 3.633 30 20 CHED CCN(CCC#N)[C@@H](C)CCSc1ccccc1 153524477 AWFCHBAYWMQYJV-AWEZNQCLSA-N 262.422 3.793 30 20 CHED C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1cccc(C#N)c1 153731708 AFMGHVSIUAPBLU-DOMZBBRYSA-N 272.392 3.555 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CCC)c1ccc(F)cc1F 155129487 KNMSPULVAYKYKP-YGRLFVJLSA-N 282.334 3.680 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc3ccccc3c2O)cn1 156609332 NJGBFMFRIIOXSW-JXMROGBWSA-N 292.338 3.658 30 20 CHED C=C(C)COCCN[C@H]1CCCCc2ccccc21 125616865 ZEOWPZNLVLRGTP-KRWDZBQOSA-N 259.393 3.636 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H]([C@H](C)N)C1 818565194 QPVCFYAVUJKKEY-HOTGVXAUSA-N 282.472 3.713 30 20 CHED CCCCCCCC(=O)NCc1ccc2nc[nH]c2c1 854810939 GRWXDGXGBHMYTG-UHFFFAOYSA-N 273.380 3.540 30 20 CHED Cc1ccc(C=O)c(OCCCCC(C)(C)C#N)c1 871693369 MFDHSWVHKUXBJO-UHFFFAOYSA-N 259.349 3.906 30 20 CHED Cc1cccc(C(=O)N(C)c2ccccc2C#N)c1Cl 160331699 MIDYIKAKNYZLMT-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CCOc1cccc(CNc2ccc(CC#N)cc2)c1 37678797 JGVFBDSBRCOXMN-UHFFFAOYSA-N 266.344 3.763 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)C1(C)CC1 37777477 JCVBXXCXGSXYOQ-ZDUSSCGKSA-N 258.365 3.970 30 20 CHED N#Cc1cc2c(nc1NCCC1=CCCCC1)CCC2 42245837 JBPSLSIYNAYFEO-UHFFFAOYSA-N 267.376 3.744 30 20 CHED N#C[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCCCC1 40360048 SPCOQHVJUOGZNN-CQSZACIVSA-N 276.767 3.542 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1cccc(F)c1 165436046 RDXKHGYEVYCZDV-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(F)c(C#N)c2)[C@H](C)C1 300419705 LCWGXVPTNCUPPT-XHBSWPGZSA-N 260.356 3.612 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1snc(Cl)c1C#N 301955989 MBMUAURFVLHKOV-JGVFFNPUSA-N 257.790 3.905 30 20 CHED N#Cc1cc(N[C@H]2CCCCC23CCCC3)ccn1 311646666 CHTQLCKTTJOGFI-HNNXBMFYSA-N 255.365 3.868 30 20 CHED C=CCCCCNC(=O)c1cc(Cl)nc2ccccc12 312807140 REQFUUYUUDNQJW-UHFFFAOYSA-N 288.778 3.974 30 20 CHED CC(C)c1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1 79917372 ZNNMMTJXZYZBLE-GFCCVEGCSA-N 285.416 3.989 30 20 CHED COc1ccc(CNc2ccc(Cl)cc2C#N)c(F)c1 467783501 MCVQQUQIDHHKNN-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H](O)c1cccs1 88604465 QNWHQFXOTZGSHU-INIZCTEOSA-N 287.428 3.860 30 20 CHED CCC(CC)N(CC)c1nc(C(F)(F)F)ccc1C#N 558047136 BSWPQJNTBIZTKR-UHFFFAOYSA-N 285.313 3.987 30 20 CHED Cc1cc(C)c(C#N)c(N(C)Cc2ccc(C)s2)n1 341812769 ZMLOFKCLGUVWPA-UHFFFAOYSA-N 271.389 3.576 30 20 CHED Cc1nc(C#N)cc(Nc2ccc(C3CCC3)cc2)n1 690288146 DKGHXAABNLCYBK-UHFFFAOYSA-N 264.332 3.668 30 20 CHED CC[C@H](COc1cccc(F)c1C#N)CC(F)F 594893843 LOTZKCPXKWZCMZ-VIFPVBQESA-N 257.255 3.758 30 20 CHED CC(C)c1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 397589563 JVGVZCGQQSCQPI-CQSZACIVSA-N 270.376 3.576 30 20 CHED CCCCC(CC)=NNC(=S)NCc1ccccc1 732923584 DRRJDXWZKNTMTP-UHFFFAOYSA-N 277.437 3.607 30 20 CHED C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 7981718 VTRRMNVOWVILTL-GFCCVEGCSA-N 281.315 3.682 30 20 CHED C=CCCC(=O)Nc1ccc(Br)cc1C 54400200 CPOKEAVZIZWKSJ-UHFFFAOYSA-N 268.154 3.662 30 20 CHED C[C@@H](C#N)CNCc1cc(-c2ccccc2)cs1 54181637 HUHHCEUFCNDRSL-LBPRGKRZSA-N 256.374 3.664 30 20 CHED N#CC1(C(=O)Oc2ccc(Cl)c(F)c2)CCCCC1 179386065 QXOKAIHYYUFXQC-UHFFFAOYSA-N 281.714 3.859 30 20 CHED CC[C@H](C)N(C)CC#Cc1ccc(C(F)(F)F)cc1 177276559 XFANCXGETYSLII-LBPRGKRZSA-N 269.310 3.787 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccc1C#N 172516627 OPXJLDDWWYZDCF-RALCTLGJSA-N 294.398 3.751 30 20 CHED CCOc1cc(C#N)ccc1OCCCOc1ccccc1 57839363 HWTWMUMADXQBHL-UHFFFAOYSA-N 297.354 3.805 30 20 CHED Cc1c(C(=O)O[C@H](C)CC#N)sc2ccc(F)cc12 113695272 BWDKTKVHAMKDFD-MRVPVSSYSA-N 277.320 3.808 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCc1ccoc1C 68404554 FVWMQPZMWYMJJJ-UHFFFAOYSA-N 298.386 3.528 30 20 CHED CCC(CC)[C@H](CN[C@@H](C)c1ccc(C#N)cc1)N(C)C 20202032 OLTVQVAOOFWSPS-KSSFIOAISA-N 287.451 3.575 30 20 CHED N#Cc1cccnc1N[C@@H]1CCC[C@H]1c1ccccc1 110603826 XDXYOGXSZKJJLD-JKSUJKDBSA-N 263.344 3.701 30 20 CHED C=CC1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 110362336 HCKXLIXEMFPVIW-UHFFFAOYSA-N 296.370 3.688 30 20 CHED C=CCc1ccc(OC(=O)c2cccc(OC)c2)c(OC)c1 29124435 GTSQDSBXMBQWMZ-UHFFFAOYSA-N 298.338 3.652 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CCCc3sccc32)c1 308143141 VXKPWLWBAHCROT-HNNXBMFYSA-N 296.395 3.987 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccc(F)c(C)c2)c1 302035424 OZPQLIZHLSXGOT-UHFFFAOYSA-N 282.318 3.821 30 20 CHED CC(C)[C@H]1CCC[C@H](NCc2ccc(C#N)o2)CC1 469567548 UMLDZPJVNCPTPD-KBPBESRZSA-N 260.381 3.846 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)CCCCc2ccccc2)C1 1342731423 XDSNOEXGNYEBJB-HOTGVXAUSA-N 271.360 3.635 30 20 CHED C=C1CCN(C(=O)Cc2ccc(CC(C)C)cc2)CC1 111073108 WMPANVINBUPGQI-UHFFFAOYSA-N 271.404 3.606 30 20 CHED CCCCc1ccc(N(C)C(=O)c2ccc(C#N)cn2)cc1 178578663 RVHMLQGCGSZFJO-UHFFFAOYSA-N 293.370 3.572 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1c1snc(Cl)c1C#N 301955622 LINZQZUUCVLNRC-FXPVBKGRSA-N 281.812 3.826 30 20 CHED C=C(C)CSCC(=O)N(C)[C@H](C)c1ccc(F)cc1 177863843 WSJHRHAATMMHOG-GFCCVEGCSA-N 281.396 3.654 30 20 CHED CCOCCC1(CNc2ccc(F)cc2C#N)CCC1 301714723 MHZAFMPRNCWJFE-UHFFFAOYSA-N 276.355 3.706 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC(CC)CC 121486688 KYMDCAFIBMMBGC-UHFFFAOYSA-N 252.402 3.791 30 20 CHED C[C@@H](Nc1ccnc(C(C)(C)C)n1)c1cccc(C#N)c1 301607725 ZMJMRASXFOURCV-GFCCVEGCSA-N 280.375 3.819 30 20 CHED CCOc1cc(C)ccc1NC(=O)C(C#N)(CC)CC 602247337 SIAPJUIBEHWQBI-UHFFFAOYSA-N 274.364 3.662 30 20 CHED CCc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)sc1C 32614927 IXBJQGIRBFJCRH-UHFFFAOYSA-N 298.411 3.763 30 20 CHED C#CCN(Cc1ccc(C)cn1)[C@@H]1CCc2ccccc21 127531218 XPYJWHKIPVTZBA-LJQANCHMSA-N 276.383 3.513 30 20 CHED CC(C)COc1ccccc1CNc1ccc(C#N)nc1 301550197 XZLALTRGEMWRFD-UHFFFAOYSA-N 281.359 3.600 30 20 CHED C[C@@H]1CN(c2ccc(C#N)nc2)CC[C@@H]1c1ccccc1 301519178 CPQSFFLGHFDLPM-KDOFPFPSSA-N 277.371 3.583 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182141269 IVSISAYUPHJGPA-KBPBESRZSA-N 288.391 3.988 30 20 CHED N#Cc1cccc(N[C@H]2CCSc3ccc(F)cc32)n1 301825187 IPMUQUOOYDUVIR-ZDUSSCGKSA-N 285.347 3.741 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1CCC[C@H]1C 189908747 QERIACOYFYTAEK-KGLIPLIRSA-N 264.413 3.744 30 20 CHED C#Cc1cccc(N(C(=O)c2ccsc2)C(C)C)c1 77293771 UELLXGWAIHNUHV-UHFFFAOYSA-N 269.369 3.785 30 20 CHED CCSc1cccc(CN2CCC(C#N)CC2)c1 186201855 WPTFMGLHNPZVBU-UHFFFAOYSA-N 260.406 3.534 30 20 CHED N#CC1(COC(=O)c2nccc3ccccc23)CCCCC1 183698352 KWYQLMPTYLWKAP-UHFFFAOYSA-N 294.354 3.866 30 20 CHED CCCN(CCCCC#N)[C@H]1C[C@H](OCC)C1(C)C 121080151 CGORNNILHMSDDM-GJZGRUSLSA-N 266.429 3.596 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)c(C#N)cc1[N+](=O)[O-] 413305861 WEYNCIQJDSJCPI-UHFFFAOYSA-N 286.335 3.517 30 20 CHED Cc1ccc2c(CC(=O)N[C@@](C)(C#N)C(C)C)coc2c1C 122232166 ZNKZSNSULBOVTO-SFHVURJKSA-N 298.386 3.647 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N1CCCc2cc(C#N)ccc21 411004340 WIXUXWACPOANGD-ZBFHGGJFSA-N 282.387 3.664 30 20 CHED N#Cc1ccc(CNCc2cccc(-c3ccccn3)c2)cc1 126832422 XEWCOFWAKXCFPN-UHFFFAOYSA-N 299.377 3.910 30 20 CHED CCN(CC)c1ccc(CNCc2ccc(C#N)cc2)cc1 78495877 JAYSAMHFJRYGGW-UHFFFAOYSA-N 293.414 3.694 30 20 CHED Cc1coc2ccc(NC(=O)N(C)[C@H](C)CC#N)cc12 188000331 ZQTJBCOOEBCNTG-LLVKDONJSA-N 271.320 3.507 30 20 CHED Cc1c(C#N)cccc1NCc1cc(F)c(F)c(F)c1 500756979 XEKSIUMXJNDSDJ-UHFFFAOYSA-N 276.261 3.896 30 20 CHED N#CCCCOC(=O)CCCCCc1ccc(F)cc1 188439891 IHRKVBMXOBMJKM-UHFFFAOYSA-N 277.339 3.776 30 20 CHED C=CCCC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 182169753 BLFSAINEJQCAEQ-NSHDSACASA-N 285.309 3.719 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@H](C)c1c(C)noc1C 182579736 WGTQTLNVZICTPY-RYUDHWBXSA-N 278.396 3.646 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F 180150543 RDCNVIGZJOUOHD-NXEZZACHSA-N 296.317 3.780 30 20 CHED COc1ccccc1NC(=O)c1cccc(SCC#N)c1 79380226 VPAMRSUBCSKVMF-UHFFFAOYSA-N 298.367 3.563 30 20 CHED COc1ccc([C@@H]2CCCN2CCC(C)(C)C#N)cc1 157396520 MSPRLGVBFUMYNU-INIZCTEOSA-N 272.392 3.772 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 410127413 MTSZHZKWFNLRIZ-JQWIXIFHSA-N 267.319 3.539 30 20 CHED Cc1cc(CNc2ccc(F)cc2OCC#N)ccc1F 181544227 MVEZWXLRWXTKJA-UHFFFAOYSA-N 288.297 3.788 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC[C@H]1CCOC1 418949991 GFRUCIPYRTZZHH-CQSZACIVSA-N 276.376 3.538 30 20 CHED C=C(C)COc1cccc(NC(=O)CCCOC(C)C)c1 182583907 AYYUDOCCYGNJIP-UHFFFAOYSA-N 291.391 3.785 30 20 CHED CC(C)(C)CCSCC(=O)Nc1cccc(C#N)c1 187555459 STTCCVSHZWHBGZ-UHFFFAOYSA-N 276.405 3.666 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2C#N)CC[C@H]1C 410555063 GEPQEYNOMRQOSR-GRYCIOLGSA-N 274.339 3.708 30 20 CHED CCC[C@H](CC)NC(=O)N[C@H](CCC#N)c1ccccc1 132446016 PYEHRFWYRHNUCY-JKSUJKDBSA-N 287.407 3.909 30 20 CHED COCC[C@@H](Sc1ccc(C#N)cn1)c1ccccc1 412992753 UQAVAMLVZMGBGV-OAHLLOKOSA-N 284.384 3.823 30 20 CHED N#Cc1cccnc1N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 89268700 KEUDVSPDTHJRCA-CABCVRRESA-N 299.761 3.549 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(F)cc2C#N)C1 133777873 WHCHXTUNAFNVBM-FZMZJTMJSA-N 289.354 3.740 30 20 CHED Cc1ncc(/C(O)=N/Cc2sccc2C)c(C2CC2)n1 329273399 AQPWKRFVYDZBEZ-UHFFFAOYSA-N 287.388 3.537 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)NCc1ccc(C#N)s1 420840177 JAKWODCNAWLSKP-LBPRGKRZSA-N 291.420 3.554 30 20 CHED C#CCCCC(=O)N(C)[C@H](C)c1ccccc1Cl 192139936 ROXCRLWBMCZCLV-GFCCVEGCSA-N 263.768 3.663 30 20 CHED N#CCN(Cc1ccc(Cl)s1)C1CCCC1 80215157 RKWHDPHBUBVFRQ-UHFFFAOYSA-N 254.786 3.670 30 20 CHED Cc1ccnc(NCc2ccc(C(F)(F)F)cc2)c1C#N 135076078 YTMXLTZESAGBKL-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C#Cc1cccc(NC(=O)c2sc(CCC)nc2C)c1 42878021 KZUZWHJTOBOTCC-UHFFFAOYSA-N 284.384 3.638 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCC(F)(F)F 80561205 UVLINOPMPIOJEZ-UHFFFAOYSA-N 292.345 3.717 30 20 CHED CCc1ccc(CN[C@H](C)c2cccc(C#N)c2)o1 610760467 MBTVYYSUVCGYTP-GFCCVEGCSA-N 254.333 3.564 30 20 CHED CCCn1c(C)nnc1S[C@H](C)c1ccc(C#N)cc1 89638418 MUSDULRMJPTKQR-LLVKDONJSA-N 286.404 3.722 30 20 CHED C=CCCCCCN1CCN([C@H](C)c2cccnc2)CC1 193356821 YUKGYGNWYWJIIO-QGZVFWFLSA-N 287.451 3.507 30 20 CHED CC1(C)C(O)=Nc2cc(/C(O)=N/[C@H]3C=CCCC3)ccc21 328903835 ILBQVWJJFGDQIV-LBPRGKRZSA-N 284.359 3.979 30 20 CHED CC(C)(CC(F)(F)F)Nc1ccc(C#N)cc1[N+](=O)[O-] 614830621 UZLNNWFTTZTOGB-UHFFFAOYSA-N 287.241 3.609 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1C 424600274 NZBDXXBYXFIBEJ-GXTWGEPZSA-N 286.375 3.722 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H](C)c1ccccc1F 131268261 XPTWWMCZELIHLW-CYBMUJFWSA-N 297.329 3.853 30 20 CHED CN(C(=O)C(C)(C)C#N)C1CCC(C(C)(C)C)CC1 515648810 SWQBBXRIOZBYRW-UHFFFAOYSA-N 264.413 3.599 30 20 CHED CCC(CC)CN(CC)C(=O)c1ncc(C#N)cc1Cl 427901460 DMHPSDZIPWHLTH-UHFFFAOYSA-N 293.798 3.505 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC(C)(C(C)C)CC1)OCC 428438285 JQPZRIXSCDAHIT-OAHLLOKOSA-N 281.440 3.642 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2cccs2)SC1=S 192692395 KWOFAVNMCJOYGP-POHAHGRESA-N 281.427 3.525 30 20 CHED N=C(O)c1cccc(C/N=C(/O)[C@@H]2CC23CCCC3)c1 329996695 PGXJXTCVDYDDQS-ZDUSSCGKSA-N 272.348 3.607 30 20 CHED CCC(CC)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 193094093 YQSKJXQBZCSSJR-CYBMUJFWSA-N 272.392 3.904 30 20 CHED CC(C)c1cc(/C(O)=N/[C@@]2(C)CC=CCC2)cc(O)n1 331348332 MWRJCVFQNVCOBX-INIZCTEOSA-N 274.364 3.714 30 20 CHED Cc1ccccc1-c1csc(NC(=O)[C@]2(C#N)C[C@@H]2C)n1 336248675 FGIFKQZIJCSMFG-ZBEGNZNMSA-N 297.383 3.607 30 20 CHED C[C@@H](NCc1cccc(F)c1C#N)c1cccs1 428349403 VOLCDSJVCPKYCD-SNVBAGLBSA-N 260.337 3.610 30 20 CHED CC(C)(Cc1ccccc1)C(=O)NCc1ccc(C#N)s1 421599599 GKEKOPAIEVTJPE-UHFFFAOYSA-N 298.411 3.505 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)cc2C)CCC1 191083736 BBRGEXTZQJJBIF-UHFFFAOYSA-N 259.349 3.689 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccccc1C(F)F 425645047 KRTPRAOTCHJGIZ-DGCLKSJQSA-N 281.302 3.544 30 20 CHED Cc1c(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)ccc(C#N)c1C#N 421553742 FGDBLANDVZFHSF-OUCADQQQSA-N 295.386 3.749 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C#N)oc1C 336153030 REYBSKIQEKOBAI-WFASDCNBSA-N 274.364 3.501 30 20 CHED Cc1ccnc(Oc2ccc(C#N)c3ccccc23)n1 338829281 PXQPDBPWSLINLE-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CCOCc1cccc(N=C(O)N[C@H]2CC[C@@H](C)C2)c1 331290498 JUSKTFMKFIASRQ-DOMZBBRYSA-N 276.380 3.547 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccc(Cl)cc1 179642521 DJYFYEMRHBTYSE-LBPRGKRZSA-N 263.768 3.711 30 20 CHED Cc1ccccc1-c1nnc(S[C@@H]2CC[C@H](C#N)C2)o1 336600266 QZFMFBBGICUAFU-NWDGAFQWSA-N 285.372 3.829 30 20 CHED Cc1cc(Cl)cc(C(=O)[C@@H](C#N)c2nc(C)cs2)c1 336298390 CKLSVQLIRJZECD-GFCCVEGCSA-N 290.775 3.903 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2ccc(C#N)s2)C1 513061567 BNYSWOFVPJBWHI-AWEZNQCLSA-N 282.412 3.918 30 20 CHED Cc1nc2ccc(NC(=O)c3cc(C#N)oc3C)cc2s1 435393303 FXDOIPTUGUZIBA-UHFFFAOYSA-N 297.339 3.630 30 20 CHED Cc1cc(=N[C@H](C)c2oc3ccccc3c2C)cc(C#N)[nH]1 436685649 MBGMQZJZDKHGCY-CYBMUJFWSA-N 291.354 3.911 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)Nc2ccc(C#N)cc2)C1 437662833 OYVUZGKPIHQRKZ-KRWDZBQOSA-N 285.391 3.992 30 20 CHED N#CCCCN1CCc2ccccc2[C@@H]1c1ccccc1 339608432 ZSURTIZDXVEBJS-IBGZPJMESA-N 276.383 3.938 30 20 CHED CC[C@H](C)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(F)(F)F 436091730 PDXRZMAHMJNVNM-JOYOIKCWSA-N 299.296 3.657 30 20 CHED C=CCN(CCc1ccccc1)Cc1scnc1C 92505709 ZDSYGNHXWILABQ-UHFFFAOYSA-N 272.417 3.682 30 20 CHED C=CCc1cc(CNC2CCCCC2)cc(OC)c1OC 237107025 NJLFWNLBIPMMGF-UHFFFAOYSA-N 289.419 3.855 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(Br)c1 525956968 RALPCNRTJOCHFP-ZDUSSCGKSA-N 282.181 3.990 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@H](CCC#N)c2ccccc2)C1 246426050 CIPLVZZAAQSMEM-DJIMGWMZSA-N 284.403 3.974 30 20 CHED CC[C@H](C)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(F)(F)F 436109833 AXWSBLFHUCAXSP-JOYOIKCWSA-N 299.296 3.657 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2C)cc1 249706836 BENZZHVNDAOXPH-SHUKQUCYSA-N 298.386 3.503 30 20 CHED C=CCCCCCN(C)c1ncnc2cccc(F)c12 523533563 QECNGSIUNONDKD-UHFFFAOYSA-N 273.355 3.952 30 20 CHED C=CCOCCCN(CC)[C@H](C)Cc1ccsc1 348102328 MTDSEWROWSHLLS-CQSZACIVSA-N 267.438 3.594 30 20 CHED CC(C)[C@H](CN[C@H]1CCC[C@@H](C#N)C1)N1CCCCCC1 248701201 AGIDPVADCXWMJE-SQNIBIBYSA-N 291.483 3.559 30 20 CHED CC(C)Sc1ccc(Cl)cc1NC(=O)[C@H](C)C#N 345472474 VZYNRHGVIBJJJR-SECBINFHSA-N 282.796 3.939 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 521717658 FPEBOYMVHYOUNB-CQSZACIVSA-N 297.402 3.812 30 20 CHED CCN(CC)[C@H](CNc1c(C#N)cccc1C#N)CC(C)C 430544480 LVGNUTYAOBUGCE-KRWDZBQOSA-N 298.434 3.598 30 20 CHED C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@@H](C)C1(F)F 600187401 YAKIGBKJNOAHLL-BETUJISGSA-N 298.377 3.600 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccc(F)c(F)c2)c1 347435578 SWWTUYIYPNELDR-UHFFFAOYSA-N 286.281 3.651 30 20 CHED N#CCCNCc1ccc(-c2ccccc2Cl)o1 346747105 LOPNBTOZRSOTKR-UHFFFAOYSA-N 260.724 3.603 30 20 CHED CCCCCCCCCN[C@H](C)c1nccn1C 182236378 SHUHPCIVSGQHDB-CQSZACIVSA-N 251.418 3.821 30 20 CHED CCC[C@@]1(C)CCCN(c2nc(C)ccc2C#N)C1 346814600 JRCLJBOQGFILMY-INIZCTEOSA-N 257.381 3.668 30 20 CHED CCc1nc(C)c([C@H](C)N(C)C[C@@H](C)CCC#N)s1 602471229 KUHXKWDCCQHMPC-AAEUAGOBSA-N 279.453 3.947 30 20 CHED CC(C)(C#N)CCCN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 253087707 DKMFTAIMPUPYBH-BRWVUGGUSA-N 292.467 3.722 30 20 CHED N#CCC1(CN2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 602843090 BJOMIEXNEKUTED-QGZVFWFLSA-N 296.414 3.534 30 20 CHED CO[C@H](CSCC1(C#N)CC1)c1ccc(F)cc1 600637803 WMTYHSVTVBKKJT-CYBMUJFWSA-N 265.353 3.550 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 346246396 XAISAKVRHSDHIW-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CCc1oc2ccccc2c1/C=C\C(=O)c1cnccn1 255895711 ALJPIZQHKKOMJB-FPLPWBNLSA-N 278.311 3.681 30 20 CHED C[C@@H]1CCc2nc(CNCC(C)(C)CCC#N)sc2C1 342294460 PPXBDVFHTYLIOE-GFCCVEGCSA-N 291.464 3.687 30 20 CHED C[C@H]1CC(C(=O)NCC(C)(C)CCC#N)C[C@H](C)C1 345880451 GPATXOXDUQDOFD-CHWSQXEVSA-N 264.413 3.505 30 20 CHED N#C[C@H]1CC[C@@H](NCCOc2ccc3ccccc3c2)C1 442709387 AFPODMREAMXLNQ-WMLDXEAASA-N 280.371 3.500 30 20 CHED C=CCOc1ccc(CN2CCC[C@@H]2CC)cc1OC 352653619 YHBHBUAMBBFKJR-HNNXBMFYSA-N 275.392 3.634 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(C)cc1C 353115170 UTEJLNWBUNHADG-UHFFFAOYSA-N 283.371 3.767 30 20 CHED CC[C@@H]1CCC[C@H]1CN[C@@H](C)CC1(C#N)CCOCC1 602678571 GGDBKCYIPNNDSI-XHSDSOJGSA-N 278.440 3.501 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2c2ccc(Cl)cc2)n1 602440035 MYJLGNTUXKWKPL-KRWDZBQOSA-N 297.789 3.944 30 20 CHED COCc1ccc(NCC[C@H]2CC2(Cl)Cl)cc1C#N 530120998 CUWRTEJFTUVIQX-LBPRGKRZSA-N 299.201 3.700 30 20 CHED Cc1ncc([C@@H](C)NC(C)(C)c2cccc(C#N)c2)c(C)n1 602705296 FUHXQTTWBZPWRL-CYBMUJFWSA-N 294.402 3.551 30 20 CHED N#Cc1ccc(SCc2cc(F)cc(F)c2)nc1 445599694 GHABQFMMVPVWEY-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CC1(C)CCCN(CC#Cc2ccc(Cl)cc2)[C@@H]1C#N 444719429 MWGZUQKTIYVBJH-MRXNPFEDSA-N 286.806 3.706 30 20 CHED CN(C)Cc1ccc(NCc2ccc(C#N)cc2)cc1Cl 355581182 JTIGAZJJVNGGLD-UHFFFAOYSA-N 299.805 3.885 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N[C@H](C#N)C1CCCCC1 530654126 WUNLHDRWSUCPLE-SJLPKXTDSA-N 298.430 3.844 30 20 CHED CC[C@H](NC[C@@H]1CCCCN1C1CC1)c1ccc(C#N)cc1 447600277 LQELCHJPBYCGEJ-OALUTQOASA-N 297.446 3.616 30 20 CHED C[C@H](CN(C)Cc1ccccc1)NC1CCC(C)(C#N)CC1 449252940 RWVXQSDMKWLTIF-IPJUCJBFSA-N 299.462 3.569 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc3c4c(cccc24)CC3)C1 532319160 NWUPVYWWVNIOIT-UHFFFAOYSA-N 290.366 3.817 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@H](CC)CC1 350789777 GDEYUONXNLBKJM-AWEZNQCLSA-N 288.439 3.748 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCC[C@H]1CCCC)OCC 533717564 UWWSTFWMGSCXAV-PMPSAXMXSA-N 281.440 3.833 30 20 CHED C[C@H](C#N)CNCc1ccc(N(C)c2ccccc2)cc1 612586588 RYQHUURZSNVZJX-OAHLLOKOSA-N 279.387 3.704 30 20 CHED C=CCSCCNC(=O)c1oc2ccccc2c1CC 448818031 HGGODPRXWFEQRZ-UHFFFAOYSA-N 289.400 3.644 30 20 CHED Cc1c(CN[C@H]2CC[C@@H](C#N)C2)oc2ccc(F)cc12 442785409 XOJRWZFNQXWFTB-YPMHNXCESA-N 272.323 3.662 30 20 CHED C=CC[C@H]1N(C(=O)NCCCSC)CCCC1(C)C 445153402 UIHWLIFELNXWEI-CYBMUJFWSA-N 284.469 3.516 30 20 CHED C=CC(C)(C)C(=O)NCc1ccccc1OC1CCCC1 448737907 ODMHPWAMEZVLCG-UHFFFAOYSA-N 287.403 3.836 30 20 CHED C#CCN(CC)C(=O)Nc1ccccc1N1CCCCCC1 267357503 WDQSFFSYRYGMSO-UHFFFAOYSA-N 299.418 3.554 30 20 CHED C=CCCOCCCCC(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C 456323328 HGVRUZHNCRXCRI-FUHWJXTLSA-N 295.467 3.888 30 20 CHED C=CCCNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 617616144 LBTFSLLSKAABRR-CQSZACIVSA-N 259.393 3.996 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1CCCCC#N 451149338 SLPJHXYFCJRWIL-TUAOUCFPSA-N 262.319 3.732 30 20 CHED CN(CCCC#N)CCOc1ccccc1C(C)(C)C 361593881 KHNDSVIRCBSSIL-UHFFFAOYSA-N 274.408 3.598 30 20 CHED Cc1nc(C(C)C)oc1COc1cc(F)cc(C#N)c1 450962463 TYCVUIJGFDTXSZ-UHFFFAOYSA-N 274.295 3.696 30 20 CHED Cc1cc(CS[C@@H](C)c2ccc(C#N)cc2)on1 265537602 QUPCBDPUKOJMJS-NSHDSACASA-N 258.346 3.849 30 20 CHED Cc1ccc(-n2cnnc2SCC2(C#N)CCC2)c(C)c1 450696198 KPLUFWFPZATNQH-UHFFFAOYSA-N 298.415 3.670 30 20 CHED CCC1(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CCCC1 268324904 LVOQHGCFELIGSS-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)C1=CCCC1 459177078 PXHPUISCPSPIGF-UHFFFAOYSA-N 264.413 3.731 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@]2(CCSC2)C1 451960563 CCZSXKZXZQHMBJ-WMLDXEAASA-N 286.444 3.838 30 20 CHED C=CCC1(C(=O)NCCc2sccc2C)CCCC1 450386695 FNALKRCMDJGDRK-UHFFFAOYSA-N 277.433 3.852 30 20 CHED C=CCC1(C(=O)NCc2ccc(C)c(C)n2)CCCCC1 458012878 NBGWCUCEUILKQU-UHFFFAOYSA-N 286.419 3.841 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCC(C)(C)C#N 458635191 AXAPTRFUOMLPLZ-IIAWOOMASA-N 299.418 3.512 30 20 CHED C=CC[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 617783055 SCDFRISHAZFKPY-AWEZNQCLSA-N 251.414 3.873 30 20 CHED N#Cc1cccnc1N[C@@H]1CCCc2c(F)cc(F)cc21 450551787 GOWPFSTUAWGHRS-OAHLLOKOSA-N 285.297 3.721 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cccs1 614464742 HVEDIQVNIQZVRH-SECBINFHSA-N 290.775 3.764 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](OCC2CC2)C1 364779460 OBXYEWZAVMUQTQ-RDTXWAMCSA-N 284.403 3.510 30 20 CHED C#CCCCN1CCC(n2c(CC)nc3ccccc32)CC1 271539125 NCYCRZUTMZODOR-UHFFFAOYSA-N 295.430 3.649 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 276165035 SBJFEGUEDOODMD-UHFFFAOYSA-N 294.305 3.540 30 20 CHED CCC1(CC)CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 450773723 ROIQMSCWRJKOPN-SFHVURJKSA-N 288.435 3.889 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCC2(F)F)c1 450736481 IOIHPRSVOFUXML-ZDUSSCGKSA-N 278.302 3.608 30 20 CHED N#CCCNC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 458733336 XMYYUPHCZIHGJI-MRXNPFEDSA-N 297.402 3.617 30 20 CHED C=CCC1(NCc2nnc(C(C)C)o2)CCCCC1 625936365 JHKQSUXCAUIVIP-UHFFFAOYSA-N 263.385 3.562 30 20 CHED C=CCC[C@H](C(=O)N(C)CC(C)(C)OC)c1ccccc1 548287682 GGYQRXZSONVCAU-INIZCTEOSA-N 289.419 3.620 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(CCC(C)(C)C#N)[C@@H]2C 543846278 ADGKKOFJMMXBQD-UONOGXRCSA-N 286.419 3.943 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(OC(F)F)c1)OCC 270054947 SDJATVCGBIQJEN-ZDUSSCGKSA-N 299.317 3.598 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccccc1Cl)C(C)C 464759369 XOHFSJJNVPRPTR-RISCZKNCSA-N 280.799 3.911 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 462188502 IOMSBEDGMMWQLL-TVFCKZIOSA-N 296.414 3.721 30 20 CHED C=CCCCc1nc(-c2cccnc2N2CCCCC2)no1 547032503 KMAKSNOUCQVPMH-UHFFFAOYSA-N 298.390 3.631 30 20 CHED C=CCN(C(=O)CCc1cnc2ccccc2c1)C(C)(C)C 622944816 GUPYEGHDHYVEIR-UHFFFAOYSA-N 296.414 3.981 30 20 CHED CC(C)(C#N)CCN1CC=C(c2c(F)cccc2F)CC1 546741807 CPBKSVCKFZSEAI-UHFFFAOYSA-N 290.357 3.994 30 20 CHED CC(C)[C@H](C#N)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 271453165 QAXRGXGLUKCSJW-WFASDCNBSA-N 292.810 3.573 30 20 CHED Cc1cnccc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 274604172 IMPHHGZPRGASIF-UHFFFAOYSA-N 299.418 3.619 30 20 CHED C=CCOc1cccc(NC(=O)N2CC(C)(CC)C2)c1 463515421 FEEQUCDWZALUPH-UHFFFAOYSA-N 274.364 3.515 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)O[C@@H]2CCC[C@@H](C)C2)CC1 463838810 VQFMFHOTDNUFMG-OIISXLGYSA-N 293.451 3.785 30 20 CHED C=CCOc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 462655689 AEVQGKKFHVNAFF-UHFFFAOYSA-N 285.299 3.739 30 20 CHED C=CCCCC(=O)NCc1ccc(OC2CCCC2)cc1 551772653 BUXVICVJLUMAMH-UHFFFAOYSA-N 287.403 3.981 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c(C)o1 281178599 NOMXNTJEXJXLSV-UHFFFAOYSA-N 295.342 3.595 30 20 CHED CC(C)[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)cc1 553247266 QHGQLTFUOBHVCB-INIZCTEOSA-N 285.778 3.838 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C(F)(F)F)cs1 280780295 PHPKVDPRQRDHSZ-WPRPVWTQSA-N 292.326 3.555 30 20 CHED C[C@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)C(C)(C)C 464165557 FGEVISWDDXIEPL-IAQYHMDHSA-N 252.402 3.503 30 20 CHED C=CCC(C)(C)c1noc(C[C@H]2CCO[C@H](C(C)C)C2)n1 556362414 NAMBLFCKDDWKBX-KBPBESRZSA-N 292.423 3.917 30 20 CHED CC[C@](C)(C#N)NC(=O)c1csc2cc(C)ccc12 558835276 OPWHALSLYSQXBJ-OAHLLOKOSA-N 272.373 3.632 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@H](C(C)(C)C)C1 555272466 LJVVYZMEZRCHNS-AWEZNQCLSA-N 288.439 3.604 30 20 CHED N#CC1(CCCNc2ccc(F)c(Cl)c2)CCOCC1 281224332 OQLQKHTWJQMTOL-UHFFFAOYSA-N 296.773 3.992 30 20 CHED C=CCCN(C)C(=O)[C@H](Oc1cccc(Cl)c1)C(C)C 467065517 ZGHCHOKQSWINRF-OAHLLOKOSA-N 295.810 3.778 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1scc(C)c1C#N 288847509 PCBIJLZEHFNAJT-WPRPVWTQSA-N 250.367 3.549 30 20 CHED C=CCCC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 288241099 GBLWJZJARDAWSG-HNNXBMFYSA-N 261.365 3.571 30 20 CHED CCN(CCCC1(C#N)CCOCC1)c1cccc(C)c1 281966097 KTLMTHJZKVQIMS-UHFFFAOYSA-N 286.419 3.922 30 20 CHED Cc1ccc2oc(NCC3CCC(C#N)CC3)nc2c1 281600435 HWJZQLLEULCDEI-UHFFFAOYSA-N 269.348 3.878 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1[C@H]1CCCC[C@@H]1C 639404166 KVIYALBOJKYLGC-ZQIUZPCESA-N 284.403 3.893 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@](C)(Cc1ccccc1)[C@H](C)O 477856877 IVBBYYQAIRBDNV-LSTDLKDCSA-N 289.463 3.807 30 20 CHED C=CCN(CC=C)Cc1ccc(C)cc1-c1ccnn1C 559061811 WAJVOBHBYHMWCN-UHFFFAOYSA-N 281.403 3.570 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 477524455 CLKGIVVIUPNFNT-UHFFFAOYSA-N 288.391 3.955 30 20 CHED N#Cc1c(Cl)cccc1N[C@H]1CCO[C@@H](C2CC2)C1 295059321 PFKHSCAFVWWKJP-XHDPSFHLSA-N 276.767 3.581 30 20 CHED Cc1cccc(CCCSCCO[C@@H](C)C#N)c1 802752117 OGSPEZSXNFTRHP-AWEZNQCLSA-N 263.406 3.590 30 20 CHED COC(=O)c1c(F)cccc1NN=C(C)c1ccsc1 800816627 GHBIUGVKVYKFGO-UHFFFAOYSA-N 292.335 3.510 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c(C)o1 647371187 LYKABMORKIGGHA-LBPRGKRZSA-N 286.356 3.720 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@@]12CCC[C@@H]1C2 569226868 VMYODBWHADBCMG-MLGOLLRUSA-N 286.400 3.821 30 20 CHED C=CCCCCN[C@@H](c1nc(C2CC2)no1)C(C)C 562703194 MTSPIXHRPIMIHP-CYBMUJFWSA-N 263.385 3.590 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H]1[C@@H](C)CCC 472835809 AAESRJVFSHSIJR-LSDHHAIUSA-N 266.429 3.953 30 20 CHED C[C@@H]1/C(=C\c2cnn3ccccc23)C(=O)c2ccccc21 809158498 BAOHVIXPLUXTNB-SEJMYLSOSA-N 274.323 3.718 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Cl)c(OC)cc1OC 297711164 DFEPEZYODZSDMY-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(SC(F)F)cc1 806082921 VBEXFGFQNUAFAB-SNVBAGLBSA-N 298.358 3.925 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1ccc2c(c1)CCC2 475749165 PDMBWRPCMKJJPZ-UHFFFAOYSA-N 298.430 3.697 30 20 CHED C#Cc1ccc(CNC[C@H](OC)c2ccccc2Cl)cc1 809628747 QGMXNDVEEPNGJG-SFHVURJKSA-N 299.801 3.799 30 20 CHED Cc1cc(Cl)cnc1NCC(C)(C)CCC#N 291377542 ZYSGMUKRNCLRIG-UHFFFAOYSA-N 251.761 3.785 30 20 CHED N#Cc1cccc(COC(=O)C2(C(F)F)CCCC2)c1F 808647096 RBKYVEKKDZGBSL-UHFFFAOYSA-N 297.276 3.566 30 20 CHED C#CCN(Cc1ccccc1)C(=O)NC[C@@H](C)C(C)(C)C 806815384 CHHRPGPMAWQGCK-OAHLLOKOSA-N 286.419 3.514 30 20 CHED C=CCCC(=O)NCCc1cc2ccccc2s1 294364368 ZDWAZFVLWGJRFO-UHFFFAOYSA-N 259.374 3.526 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)Cc1ccco1 294379890 BUOAOSKMOLSTNC-HOCLYGCPSA-N 288.391 3.738 30 20 CHED CC[C@@H](CC(=O)OCCCC1(C#N)CCOCC1)C(C)C 800162734 LBUVBRJQYWPNBR-HNNXBMFYSA-N 295.423 3.702 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](c3ccncc3)C2)CCCC1 565031774 VYHMHOZIHRMOET-QGZVFWFLSA-N 298.430 3.924 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(CC(F)(F)F)cs1 647559942 VEQQYXRDSOSQMB-UHFFFAOYSA-N 292.326 3.789 30 20 CHED C=CCCCCNc1cccc(C(=O)NCCC)c1 568839958 ZUVDWYRSAXDUAY-UHFFFAOYSA-N 260.381 3.595 30 20 CHED C=CCCC1(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 474579488 RBPFEDAOFXOVQY-CBBWQLFWSA-N 261.409 3.674 30 20 CHED C=CCCCCCNC(=O)Cc1coc(-c2ccccc2)n1 568171171 BQLBGULSPRIADD-UHFFFAOYSA-N 298.386 3.747 30 20 CHED CC[C@@H](NCC(C)(C)CCC#N)c1ccc(F)cc1O 806178357 SLFZUCPPSOAJQP-CQSZACIVSA-N 278.371 3.902 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cc1 642012327 BHFCNGIXMUHFPG-ZFWWWQNUSA-N 273.376 3.560 30 20 CHED N#C[C@@H](C(=O)/C(F)=C\C1CCCCC1)c1ccccn1 815907199 VIPPLRRJEAWKOS-PCRWRXJSSA-N 272.323 3.692 30 20 CHED C=C(C)C[C@@H](C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 568149705 XKUZFTFYYYEATR-PBHICJAKSA-N 288.435 3.528 30 20 CHED C[C@@H]1C(=NOCc2ccccc2)CC[C@H](C(=O)O)C1(C)C 814792482 RMODEHUESXJSHP-TZMCWYRMSA-N 289.375 3.716 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)c1ccc(Cl)cc1 649571290 FTDZZXAQNGYURZ-LBPRGKRZSA-N 263.768 3.644 30 20 CHED CC(C)n1nccc1/C=C1\Oc2cccc(Cl)c2C1=O 811699725 WUFCVKASJLHUTE-JYRVWZFOSA-N 288.734 3.734 30 20 CHED C=CCCCCNc1ccccc1N1CCC(CO)CC1 562563301 FGPDEBCHHLCFAF-UHFFFAOYSA-N 288.435 3.664 30 20 CHED Cc1ccnc2ccc(C(=O)OC3(CC#N)CCC3)cc12 810857691 XQEMBAFSYFDOAN-UHFFFAOYSA-N 280.327 3.536 30 20 CHED COc1cc(Cl)ccc1CN1CCCC(C)(C)[C@H]1C#N 482857850 OSHHEVGTIPONJL-OAHLLOKOSA-N 292.810 3.863 30 20 CHED FC(F)(F)c1csc(NN=Cc2ccc(Cl)o2)n1 814867806 OSCPDGOGYIYVME-UHFFFAOYSA-N 295.673 3.854 30 20 CHED Fc1cccc(Cl)c1CCC=NOC1CCC1 812235662 MHPOJBQDZBCSIA-UHFFFAOYSA-N 255.720 3.967 30 20 CHED CC#CCCCC(=O)NCc1cccc2ccsc12 650167077 YYISUXJEWMVGFD-UHFFFAOYSA-N 271.385 3.711 30 20 CHED Clc1ccc(C=NOCC2CC2)c2ncccc12 814241890 XVHICZZINBSJQJ-UHFFFAOYSA-N 260.724 3.649 30 20 CHED CC(C)OCCON=C(Cc1ccc(F)cc1)C(C)C 812237771 LXZVHVBXQCEOMM-UHFFFAOYSA-N 281.371 3.822 30 20 CHED CC(=NOC1CCC1)c1ccccc1C(F)(F)F 812234919 CEKXYVCBNTXIJR-UHFFFAOYSA-N 257.255 3.999 30 20 CHED C=CC[C@H](CC)NC(=O)N(C[C@H]1CCC[C@@H](C)C1)OC 812210157 JVIXUHYNULBCNU-ILXRZTDVSA-N 282.428 3.740 30 20 CHED CCOC1CC(=NNc2ccccc2C(F)(F)F)C1 814688556 CDTDLYYVYILICM-UHFFFAOYSA-N 272.270 3.672 30 20 CHED N#CCCNCC1(c2cccc(C(F)(F)F)c2)CCC1 577503456 PTYSMYFKAKIIOJ-UHFFFAOYSA-N 282.309 3.630 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1cccc(Cl)c1F 811333930 FTHJDOCLJWDGIQ-UHFFFAOYSA-N 283.730 3.505 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCC1(C)CCCCCC1 816009011 LPBSNNUISFKULF-UHFFFAOYSA-N 286.375 3.779 30 20 CHED CCO[C@H]1CC(=NOC2CCC2)C12CCCCC2 812236747 UXLKHPXWHDFBNQ-AWEZNQCLSA-N 251.370 3.671 30 20 CHED C=CCCCCCNCc1ccnn1C1CCCC1 577124052 FDTVFDLLJPJJTG-UHFFFAOYSA-N 261.413 3.834 30 20 CHED CC(=O)c1cc(NC(=O)CCCCCC#N)ccc1C 654187589 BLMVVWNENPDBHK-UHFFFAOYSA-N 272.348 3.610 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OCCC(C)C)c(F)c1 654301871 CDQZTLVPIPUXAO-UHFFFAOYSA-N 294.370 3.900 30 20 CHED COCC(=NOC1CCCC1)c1cccc(Cl)c1 814895521 YKSAVGGHULQPKL-UHFFFAOYSA-N 267.756 3.650 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NCC1(O)CCCC1 570391004 SDDLLMOVSNCQAO-ZDUSSCGKSA-N 290.432 3.798 30 20 CHED C=CCC1(CNC[C@H](O)c2ccccc2F)CCCC1 819353201 ARSKURROLYMVBX-INIZCTEOSA-N 277.383 3.585 30 20 CHED CC(=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCN(C)CC1 814918804 GWUKMEMXYQDJPQ-JFIYKMOQSA-N 291.483 3.509 30 20 CHED C=C(C)CNC(=O)N(C)Cc1ccc2ccccc2c1 488544097 LJKRSRRWCCAWEG-UHFFFAOYSA-N 268.360 3.557 30 20 CHED N#Cc1cnc(NCCCc2ccccc2F)c(Cl)c1 480785193 GTQLPXRALUIQCX-UHFFFAOYSA-N 289.741 3.790 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=NNCC(F)F)c2c1 811643066 RCNFGGBDQQXOGP-UHFFFAOYSA-N 279.334 3.654 30 20 CHED CC/C(=C/C(=O)N[C@@]1(C#N)CC1(C)C)c1ccc(C)cc1 813300821 NCGYSLMAAIKVEW-RXEWJAMOSA-N 282.387 3.597 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ccc(OCC)cc1 490062469 VAMBDQXVUSMMKP-UHFFFAOYSA-N 289.419 3.736 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCC1CCCCC1 499484546 JXWZHBFYTFZNRI-MRXNPFEDSA-N 264.413 3.791 30 20 CHED CC1(C#N)CCC(Nc2cccc(N3CCOC3=O)c2)CC1 497248428 XMVQNBVMHUPAAL-UHFFFAOYSA-N 299.374 3.528 30 20 CHED C#Cc1cccc(NC(=S)NC[C@H]2CCC[C@@H](C)C2)c1 726475215 OIPWLQDDCXKIDU-HIFRSBDPSA-N 286.444 3.781 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H]1CCCSC1)c1ccccc1 577835336 WKYOALIKIJIROF-HZPDHXFCSA-N 289.444 3.748 30 20 CHED N#CCCCCOC(=O)c1ccccc1Oc1cccnc1 728099035 VCZPGFLNQUJHDZ-UHFFFAOYSA-N 296.326 3.725 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2C)C1 666245167 PBHSNBDWMXTSNP-CYBMUJFWSA-N 276.355 3.954 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H]2CCCSC2)CCCC1(C)C 491457917 KNAPSUBYPSFSHF-KBPBESRZSA-N 296.480 3.658 30 20 CHED CCc1nocc1COc1cc(C)c(C#N)c(C)c1C 581954067 ILBOPJGRRRNCNM-UHFFFAOYSA-N 270.332 3.613 30 20 CHED Cc1cccc(C)c1CNC1CCC(C)(C#N)CC1 824023079 HONSVBHSIMAFCL-UHFFFAOYSA-N 256.393 3.866 30 20 CHED Cc1cc(N=Cc2ccccc2O)c(C)c(C)c1O 588507075 YJEHTMSZOPSRNP-UHFFFAOYSA-N 255.317 3.774 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nc(-c2ccncc2)cs1 583315893 QCSUKFOWQXONAS-SGMGOOAPSA-N 298.415 3.548 30 20 CHED Cc1nc(N2CCc3cc(F)ccc3[C@H]2C)ccc1C#N 589864706 VTOKIVAODNCSSQ-GFCCVEGCSA-N 281.334 3.525 30 20 CHED C=CCCCCOc1cccc(C(=O)N(C)CC)c1 580704505 HDTLGQLQJXIAPY-UHFFFAOYSA-N 261.365 3.514 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 586818049 PAFNDSOACNPMSE-CZUORRHYSA-N 297.402 3.777 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@@H]1CSc2ccccc21 820905914 ZIYRWEHVDIBWTH-QWHCGFSZSA-N 275.417 3.594 30 20 CHED CC(C)c1ccc(-c2noc([C@@H](N)CCCC#N)n2)cc1 822650044 NDYIBYQARREFBP-AWEZNQCLSA-N 284.363 3.554 30 20 CHED COc1ccc(CNc2cccc(C#N)c2C)c(C)c1OC 581396857 XBRJBCIGXZBRHR-UHFFFAOYSA-N 296.370 3.804 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@H](C#N)C(C)C 732096900 AJYMEJBYIYHLOW-UONOGXRCSA-N 252.402 3.647 30 20 CHED COc1ccc(CCNN=C(C)c2ccc(C)s2)cc1 737440798 QBQGNNRTGDDJBU-UHFFFAOYSA-N 288.416 3.621 30 20 CHED C#CCOC(=O)c1cccnc1SCC1CCCCC1 734597561 FDQMTIZCDQTEMK-UHFFFAOYSA-N 289.400 3.544 30 20 CHED CC[C@H](NCc1cn2ccsc2n1)c1cccc(C#N)c1 902769269 WTLOKSVXOTXPLE-HNNXBMFYSA-N 296.399 3.508 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)Cc1ccccc1F 494406210 PIMHQVOJAGOXAE-UKRRQHHQSA-N 290.382 3.507 30 20 CHED C=CCN(C(=O)CCc1ccc2ccccc2c1O)C(C)C 823096909 MELWJBMPTOMNDW-UHFFFAOYSA-N 297.398 3.901 30 20 CHED C=CC[C@H](NC(=O)CCc1ccccc1C)c1ccncc1 734461553 ZXYFCXILWIIINQ-SFHVURJKSA-N 294.398 3.756 30 20 CHED CCCCCCCC[C@@H](N)c1nc(-c2cscn2)no1 904707640 JLQOFFUOWIJGSX-LLVKDONJSA-N 294.424 3.944 30 20 CHED CC[C@@H](N[C@@H](C)Cc1c(C)noc1C)c1cccc(C#N)c1 902811817 HOOZRVKLVLCHRM-KPZWWZAWSA-N 297.402 3.835 30 20 CHED CC[C@@H](NCCCCOC(C)C)c1cccc(C#N)c1 902947470 JGFDJAVDYKKRIZ-QGZVFWFLSA-N 274.408 3.804 30 20 CHED O=C(/C=C\c1sccc1Br)c1cccnc1 588467712 KCHPZVJRLHCERV-ARJAWSKDSA-N 294.173 3.802 30 20 CHED CS[C@H]1CCCC(=NNc2ccc(C#N)cc2)C1 901167467 PYGTXDPJSYOPQH-AWEZNQCLSA-N 259.378 3.632 30 20 CHED CC[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 839053244 QRGGINYJZACWKF-KCXAZCMYSA-N 289.350 3.945 30 20 CHED CC[C@@H](NCC[C@H](O)C1CCCC1)c1cccc(C#N)c1 903084559 FLJLMPLSZGPJNY-MSOLQXFVSA-N 286.419 3.540 30 20 CHED CN(C)C[C@](C)(C=NOCc1ccccc1)c1ccccc1 834938231 DHJPVQCJSRUXDJ-IBGZPJMESA-N 296.414 3.709 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1C[C@H](C)O[C@H](C)C1 834976433 YUSPRQUOQGDXGT-AOOOYVTPSA-N 296.802 3.609 30 20 CHED C/C(=C\c1ccccc1)CN(C)C(=O)C#CC(C)(C)C 837576058 QJAIHSAZKTZSHX-FYWRMAATSA-N 269.388 3.598 30 20 CHED N#CCC[C@H](C#N)CSc1nc2ccc(F)cc2s1 905981998 OITNIFPEAMUSIF-SECBINFHSA-N 291.376 3.971 30 20 CHED CC[C@@H](NCc1nnc(C2CC2)s1)c1cccc(C#N)c1 903024886 OYBHDLWPCFRRMF-CQSZACIVSA-N 298.415 3.528 30 20 CHED C=CCC(F)(F)C(=O)Nc1c(Cl)ccc(F)c1C 839343785 GRUFAFLUJMADAO-UHFFFAOYSA-N 277.673 3.937 30 20 CHED C#CCC[C@@H](C)OC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 839037245 PHMFGSSACZKTMZ-JXDCTMMDSA-N 278.367 3.640 30 20 CHED C[C@H](CC#N)OC(=O)c1ccccc1N(C)c1ccccc1 733709526 GLAPKIVBKWNZBW-CQSZACIVSA-N 294.354 3.913 30 20 CHED CCc1nc(CCN[C@@H](CC)c2cccc(C#N)c2)cs1 902785618 GNLVPMWFCUPIGA-INIZCTEOSA-N 299.443 3.861 30 20 CHED Cc1ccc(F)c(C=NNCCCc2ccccc2)c1 734979444 PMNDILPMRLBJAY-UHFFFAOYSA-N 270.351 3.690 30 20 CHED C[C@@H](CCC#N)N1CCC(c2ccc(N(C)C)cc2)CC1 839562668 ADPLURMLBWWAKG-HNNXBMFYSA-N 285.435 3.624 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 735620140 VHHLLOSDZXLXGB-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C#CCOc1cccc(OCc2ccc(Cl)s2)c1 730439469 LQZBKUAKRIERGX-UHFFFAOYSA-N 278.760 3.993 30 20 CHED C=CCC(F)(F)C(=O)N1CCCc2cc(C)cc(F)c21 839258363 TWKDBIIDYQONRO-UHFFFAOYSA-N 283.293 3.625 30 20 CHED Cc1c(C(=O)N[C@H]2CC=CCC2)sc2ccc(C#N)cc12 584669076 FURZAGGZZLEANT-ZDUSSCGKSA-N 296.395 3.920 30 20 CHED N#CCCCC(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 835509364 SFFFDRNSULDTOG-CQSZACIVSA-N 279.286 3.579 30 20 CHED Cc1cccc2[nH]cc(CC(=O)O[C@H]3CCC[C@@H](C#N)C3)c12 839055579 YJJPYHGWUNIDKA-HIFRSBDPSA-N 296.370 3.644 30 20 CHED C[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC2(CCCC2)O1 592195897 VNOBHRRAOWJTKZ-GJZGRUSLSA-N 284.403 3.653 30 20 CHED N#CCOc1ccc(Cl)cc1CN[C@H]1CCC[C@@H]2C[C@H]12 839195479 AGJVPLLTBGWIMS-UGFHNGPFSA-N 290.794 3.521 30 20 CHED CCOC(=O)C(C)(C)ON=C[C@@H](C)CCc1ccccc1 835005254 UTGRDBFAHVZTEN-AWEZNQCLSA-N 291.391 3.599 30 20 CHED CN(CCC#N)c1ccc(CNCCCC(C)(C)C)cc1 740013586 GWSPBBHSJDQKQA-UHFFFAOYSA-N 287.451 3.952 30 20 CHED CC(=NNc1ccc(Br)cc1)c1cccnc1 912822134 RQFVDZUMFMLSKT-UHFFFAOYSA-N 290.164 3.680 30 20 CHED CCC(CC)[C@@H](CC/N=C/c1ccccc1O)OC 746522671 PKNZJTVFDBKJHI-QRYYFKOISA-N 263.381 3.652 30 20 CHED Cc1cc(/C=C2/Oc3cc(O)cc(C)c3C2=O)cc(C)c1O 915989111 YEFBXSSCOKVWON-VIZOYTHASA-N 296.322 3.639 30 20 CHED C=C(C)CONC(=O)Nc1cc(C(F)F)ccc1Cl 844565203 PQCSBUVTHLBXIV-UHFFFAOYSA-N 290.697 3.907 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 845626883 ZPJWAUKSBJYOSI-WBMJQRKESA-N 288.391 3.603 30 20 CHED COc1ccc2c(c1)CCCC2=NOCc1ccc(C)nc1 848510184 RMLSOZVLWAXPIX-UHFFFAOYSA-N 296.370 3.656 30 20 CHED CC(C)CN(CCC#N)C(=O)CC[C@H](C)c1ccccc1 749921360 LVOMTPHESTXBMB-INIZCTEOSA-N 286.419 3.969 30 20 CHED C=CCN(C(=O)Nc1ccccc1OCCC)C(C)C 916706697 BDGSGVLIZWYIMH-UHFFFAOYSA-N 276.380 3.904 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1cc(F)ccc1F 748234453 FBIZIOYCKRSRDI-JTQLQIEISA-N 254.276 3.925 30 20 CHED C[C@H]1CCC[C@@H](C)N(c2nc(C#N)c(Cl)s2)C1 596147079 RWUMXHMMUCLLBR-DTWKUNHWSA-N 269.801 3.683 30 20 CHED Cc1cc(/C=C2\CC(C)(C)c3ccccc3C2=O)n(C)n1 841486473 GLESXMBGSZXNPO-JLHYYAGUSA-N 280.371 3.676 30 20 CHED CC(=NNc1ccccn1)c1ccc(Cl)s1 916276130 MHUGXJPBKOYFCN-UHFFFAOYSA-N 251.742 3.633 30 20 CHED C=C[C@H](C)NC(=O)CCCc1ccc2ccccc2c1 678852104 FHXPAQJWMSHWET-AWEZNQCLSA-N 267.372 3.853 30 20 CHED CC[C@@H](CC(F)F)CN(C)Cc1ccc(C#N)cc1 595289111 OKLDNJNWIJKELL-LBPRGKRZSA-N 266.335 3.671 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1cccnc1 918318684 PRROWSZOIAIETE-UHFFFAOYSA-N 291.439 3.974 30 20 CHED CCN(C(=O)/C=C/c1cccc(F)c1)c1ccc(C#N)cc1 742223128 OKQRSVLQBTWYMR-DHZHZOJOSA-N 294.329 3.764 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)c1cc(F)ccc1F 843268064 CVPSJFTULRVFPY-XQRVVYSFSA-N 290.313 3.713 30 20 CHED Cc1cc(C(=O)OCc2ccc(C#N)cc2C)ccc1F 748935078 GBXJJNGETDETCK-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(C)cc2F)CCC1 841326511 RCZAYPWEPQRBCC-UHFFFAOYSA-N 261.340 3.843 30 20 CHED Cc1csc(NC(=O)N2CCC3(CCC3)CC2)c1C#N 594103396 LSWBCZOFVTWHRB-UHFFFAOYSA-N 289.404 3.726 30 20 CHED C#C[C@H](OC(=O)[C@@H](F)C(C)C)c1ccc(Cl)cc1F 842354578 XWHJVRXTSSXBCJ-STQMWFEESA-N 286.705 3.691 30 20 CHED C=CCN(C(=O)c1cc2c(C)cc(C)nc2s1)C(C)C 915153906 ZCIUVQQDODKGLF-UHFFFAOYSA-N 288.416 3.950 30 20 CHED O=C(O)Cc1ccc(NN=C2CCC[C@@H](C3CC3)C2)cc1 848416089 YKHRHBGHQCPWMI-CQSZACIVSA-N 286.375 3.682 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1F 742436813 NTJNLFMZSNFNAF-QHHAFSJGSA-N 298.313 3.761 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1sccc1C 741765757 ISCBYQOIQPIEEU-UHFFFAOYSA-N 280.784 3.644 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cncnc1C 848402684 GITZEWBFNVNGIZ-ZDUSSCGKSA-N 296.418 3.983 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](C)c1ccc(SCC)cc1 845636528 PKWGGSWGXJYDIW-RYUDHWBXSA-N 294.420 3.665 30 20 CHED C=C[C@@H](CC)CC(=O)N1Cc2ccccc2[C@H](C)C1 929375291 VEQDDIGTMVMJAJ-KGLIPLIRSA-N 257.377 3.735 30 20 CHED COc1ccc(Br)c(NN=C[C@H]2C[C@@H]2C)c1 841658302 WGXGOGSKTBQDRD-DTWKUNHWSA-N 283.169 3.511 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(C3CC3)c2)no1 844551403 RTXOPQALWSXRMY-YVMONPNESA-N 253.301 3.757 30 20 CHED COc1cccc([C@H](C)C(=O)O[C@H](C)CC(C)(C)C#N)c1 851209160 CGHKREJNYUSQPA-OLZOCXBDSA-N 289.375 3.670 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(-c2ccccn2)cc1 685702132 HZDVQVSNHOLJGF-UHFFFAOYSA-N 281.359 3.788 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C[C@H](C)C1CC1 920457521 QUMAGFWWDCJDRO-ZDUSSCGKSA-N 275.367 3.777 30 20 CHED CCOc1ccc(O)c(/C=N\CCc2cccs2)c1 920945207 SKONIPIAUJNFJI-WJDWOHSUSA-N 275.373 3.514 30 20 CHED C#CC[C@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 756995923 BAJXCDREUSDALY-OWLYRPNTSA-N 251.373 3.553 30 20 CHED c1ccn2nc(NN=C3CCC(=C4CCC4)CC3)nc2c1 853338145 DJDTVWWEGSUJCY-UHFFFAOYSA-N 281.363 3.552 30 20 CHED CCCCCCCNC(=O)N(C)[C@H](C)c1ccncc1 858111760 RWCKHRBRYFVEOG-CQSZACIVSA-N 277.412 3.754 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)C1CCCC1 750689920 NUVRTRNZUUPPKH-AAEUAGOBSA-N 282.343 3.830 30 20 CHED C#CC[C@H](/N=C\c1cccc(OC)c1O)c1ccccc1 756847565 SUIDCFNZTRVHEM-UEIJICEPSA-N 279.339 3.584 30 20 CHED COc1cccc(/C=N\Cc2ccc(F)c(Cl)c2)c1O 750949975 LRXHFKDGWWFNET-NVMNQCDNSA-N 293.725 3.812 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)CS1 754127337 KKNLLKQGCWPFKJ-CABCVRRESA-N 274.433 3.568 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cccc(Cl)c1 755822070 KFZLXFLMPBMIID-CYBMUJFWSA-N 253.729 3.607 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccccc1-c1cnn(C)c1 925647814 IDNGPBBTKGHPGC-CQSZACIVSA-N 296.418 3.505 30 20 CHED CCC(C[C@@H](C)CC)=NNc1nc(-c2ccncc2)no1 750948820 NMWPPMZQRLEKSM-NSHDSACASA-N 287.367 3.746 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N(CC)[C@H](C)CC 929942352 AZEGOAKYYKDHSX-GFCCVEGCSA-N 289.379 3.609 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C\c1ccccc1F 759609319 HATMQIFFQCNCLL-YFHOEESVSA-N 287.309 3.927 30 20 CHED CCSc1ccc(C(=O)/C=C/c2ccnn2CC)cc1 755604118 LCGKLNFUUWQERE-JXMROGBWSA-N 286.400 3.911 30 20 CHED C#CCCCCNC(=O)[C@H](CC(C)C)c1ccccc1 758639266 FGFOSLKXRURAJR-QGZVFWFLSA-N 271.404 3.736 30 20 CHED C=CCCCC(=O)OCC#Cc1ccc(C(F)(F)F)cc1 750896816 VMGSWALWQOKCKI-UHFFFAOYSA-N 296.288 3.956 30 20 CHED CC1(C)CCC[C@@H](C=Nn2cc(Br)cn2)C1 752743536 VCBAKCMVMSWFNB-SNVBAGLBSA-N 284.201 3.696 30 20 CHED Clc1ccc(NN=Cc2cncs2)cc1Cl 767771762 SPFRYXIYOGZGRS-UHFFFAOYSA-N 272.160 3.896 30 20 CHED Cc1cc(/C=C2/CCc3scnc3C2=O)cc(C)c1O 863196551 NFLFWRCXVMAJTG-GHXNOFRVSA-N 285.368 3.678 30 20 CHED CCc1nc2ccccc2n1N=Cc1c[nH]c2ccccc12 767360730 JIVHQKNBWCEEBD-UHFFFAOYSA-N 288.354 3.962 30 20 CHED C#CCCOc1ccc(CN(CC2CC2)C(C)C)cc1 768676511 ZCGXJEKIXJDURQ-UHFFFAOYSA-N 271.404 3.709 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1nc(C)cs1 863117725 BSYZMUPUUNKZDE-CQSZACIVSA-N 289.379 3.592 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@](C)(CCc2ccccc2)C1 767090241 BLROBOWIQNGEJO-FQEVSTJZSA-N 297.442 3.907 30 20 CHED C=CC[C@H]1N(C(=O)/C=C/c2ccc(O)cc2)CCCC1(C)C 769642474 JLTUKPYVTMBZPP-XLNAKTSKSA-N 299.414 3.999 30 20 CHED CO[C@@H](C/N=C\c1ccccc1O)c1ccccc1Cl 763098735 YSZJUXNCBUUVNR-PMFHANACSA-N 289.762 3.852 30 20 CHED C#CCOc1ccc(CNCc2c(C)cccc2C)cc1 765280811 SXRPXTADFKNEAW-UHFFFAOYSA-N 279.383 3.605 30 20 CHED Cc1cccc(NN=Cc2cnc(C3CC3)s2)c1 761795080 WKMFIUPTHZLQGL-UHFFFAOYSA-N 257.362 3.775 30 20 CHED Cc1cc(C)c(NN=Cc2ccc(C)nc2)c(C)c1 764908772 DBPDYBNWSFATPX-UHFFFAOYSA-N 253.349 3.761 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2cncs2)cc1 767777117 SPOMXXSDFRMKTN-GFCCVEGCSA-N 273.405 3.951 30 20 CHED CS/C=C\C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 764223107 PMQFDISTNQVSOE-UDIARPCQSA-N 292.429 3.560 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(C#N)cc1 764437688 UXGZMYIILXXCRP-VOTSOKGWSA-N 269.325 3.524 30 20 CHED COC[C@H](C)C(C)=NNc1ccc(C)c(Cl)c1 1116488958 JQYYGYXMJMMNOE-JTQLQIEISA-N 254.761 3.719 30 20 CHED COc1ccc(/C=C/C(=O)c2ccco2)c(Cl)c1 769783745 HULSZMZLAQDQHM-FNORWQNLSA-N 262.692 3.838 30 20 CHED C[C@@H](/N=C\c1cc(Br)ccc1O)c1ccc[nH]1 760228724 IGJRQWYAXWNUOR-KYZBGHIMSA-N 293.164 3.663 30 20 CHED N#CCOc1cc(F)ccc1NC[C@@H]1C[C@@H]1c1ccccc1 779608581 GBBZLVNWLZDZDO-GOEBONIOSA-N 296.345 3.944 30 20 CHED CC[C@H]1CCCCC1=NNCCc1ccc(OC)cc1 779771144 GRBKDXOENNCRMK-HNNXBMFYSA-N 274.408 3.784 30 20 CHED C[C@@]1(C(=O)Nc2cc(C#N)c(F)cc2F)CC=CCC1 876348208 KVXYXGPCVRVEIC-OAHLLOKOSA-N 276.286 3.521 30 20 CHED C#CCOc1ccccc1CN[C@H](CC)CCC=C 772987840 LSJCVIXHBPEQTP-MRXNPFEDSA-N 257.377 3.533 30 20 CHED C=C(C)[C@H](NC(=O)/C=C/C=C\C)c1ccc(F)c(F)c1 772330338 ABTQKBCSRBHTRM-IIKVMZLJSA-N 277.314 3.831 30 20 CHED CCCCC[C@H]1CCCN1C(=O)Cc1ccccc1CC#N 777035351 CCNRGCAEVBWUNC-SFHVURJKSA-N 298.430 3.866 30 20 CHED O=C(/C=C\c1ccccc1OC(F)(F)F)c1cscn1 776192997 VBYYEUQAOGHRBF-WAYWQWQTSA-N 299.273 3.938 30 20 CHED CC(=NNc1cc(Cl)ccn1)C1CCSCC1 777442171 FSRGQZZKRUZWMC-UHFFFAOYSA-N 269.801 3.666 30 20 CHED C[C@H](CCC#N)CNC[C@@H](O)c1ccc(C(C)(C)C)cc1 877039904 QXNDUODFEVEFJN-RHSMWYFYSA-N 288.435 3.547 30 20 CHED C#CCCCCCC(=O)N(C)c1cc(C)ccc1C 779855563 WCLXNOGRDIALHR-UHFFFAOYSA-N 257.377 3.850 30 20 CHED C/C=C(/C)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 774147563 CLJSSHOZBFLNFJ-WMZJFQQLSA-N 262.740 3.531 30 20 CHED CC(=O)c1ccccc1NCc1cccc(C#N)c1F 775337806 ICWZCYAZFPDVTH-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2ccc(C#N)cc2F)c1 1125332005 LYZWUGIFOMZLEQ-UHFFFAOYSA-N 282.318 3.591 30 20 CHED CCC/C=C/C(=O)Nc1ccc(OC(C)C)c(C#N)c1 772728553 WGKUAWBWBGYAOE-VOTSOKGWSA-N 272.348 3.640 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(F)(F)c1ccccc1F 775756869 VHNDGGZBZIKNCB-LLVKDONJSA-N 285.309 3.779 30 20 CHED O=C(/C=C/c1ccc(Cl)c(F)c1)c1cscn1 776192342 OUVJIAUPRYVEIR-DUXPYHPUSA-N 267.712 3.832 30 20 CHED C=C1CCC(C(=O)Nc2ccc(F)cc2OC)CC1 888063871 JRRPQJBZBFBFFG-UHFFFAOYSA-N 263.312 3.519 30 20 CHED N#Cc1ccc(NN=Cc2nc(Cl)cs2)cc1Cl 783880498 JVPNBHFBTNVCAA-UHFFFAOYSA-N 297.170 3.768 30 20 CHED N#Cc1ccc(CC(=O)OCc2sccc2Cl)cc1 785907603 BEADHXVZJCPKSY-UHFFFAOYSA-N 291.759 3.559 30 20 CHED N#CCOc1ccc(CN2CCCC3(CCCC3)C2)cc1 782637533 SGKUXSKOIKUGLY-UHFFFAOYSA-N 284.403 3.745 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 1121216421 ZKVVDXUFUQLXNR-INIZCTEOSA-N 270.376 3.628 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C=NOC[C@@H]1CCOC1 788031196 UFMMOKNIXFANMA-LLVKDONJSA-N 292.766 3.517 30 20 CHED C#CCOc1ccccc1CNc1cccc2ccn(C)c12 788269280 ORYYAPOFXYKHJH-UHFFFAOYSA-N 290.366 3.802 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1ccc(Cl)c(F)c1 780229458 CXZFLQPYIYKGIM-UHFFFAOYSA-N 290.725 3.947 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(C)cnc1Cl 787447627 VGKGYBSHXJMEER-NSHDSACASA-N 281.787 3.910 30 20 CHED CC1(C)CC[C@@H](C(=O)OCc2ccc(CC#N)cc2)C1 781828130 XLRXFZDCAZPFSJ-OAHLLOKOSA-N 271.360 3.622 30 20 CHED C#CCCCCC(=O)O[C@@H]1CCOc2c(C)cccc21 789499719 ZWKRLQZKTAUHFK-OAHLLOKOSA-N 272.344 3.555 30 20 CHED CC[C@H](C)[C@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 780347475 NIOLDAXKQSNPRF-RWMBFGLXSA-N 259.349 3.845 30 20 CHED C=CCCC[C@H](C)OC(=O)c1c[nH]nc1-c1ccoc1 789084132 VMSFBAXOTITDDR-NSHDSACASA-N 274.320 3.571 30 20 CHED CC(=O)c1cccc(NCc2cc(C#N)ccc2F)c1 78531660 IAEFUNXLEGYDFM-UHFFFAOYSA-N 268.291 3.512 30 20 CHED COc1cccc(/C=N/Cc2cccc3cc[nH]c23)c1O 786027496 KEONHJIDXLJDSS-WOJGMQOQSA-N 280.327 3.501 30 20 CHED C=C1CCC(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1 890969633 JEXJRLXYOSWSCX-UHFFFAOYSA-N 297.402 3.618 30 20 CHED N#Cc1cc(CNc2cccc(Cl)c2)ccc1F 83442276 JURTWAAOZHIBAR-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1ccc(Cl)nc1 799498867 DZOMHJOZULJOPQ-FNORWQNLSA-N 268.703 3.503 30 20 CHED Cc1ccc(C(=O)OC[C@H]2CCC3(CCCC3)O2)cc1C#N 799548268 MMUBOAZGKLLTEW-MRXNPFEDSA-N 299.370 3.515 30 20 CHED N#Cc1ccc(CNc2cnn(C3CCCC3)c2)s1 722371499 VBCBFDNPLQUXQN-UHFFFAOYSA-N 272.377 3.543 30 20 CHED CN(Cc1ccc(C2CCC2)cc1)CC(C)(C)C#N 552085976 TZODRWALPHXYNM-UHFFFAOYSA-N 256.393 3.936 30 20 CHED CC(C)c1occc1C(=O)OCc1cccc(C#N)c1 796395838 LQEKTNBTNKKPFE-UHFFFAOYSA-N 269.300 3.632 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ccc(Cl)nc2)c(O)c1 799895233 MOZFZXAMPDUTLP-HWKANZROSA-N 287.746 3.954 30 20 CHED COc1ccc(F)c(N[C@H](C)CC(C)(C)C#N)c1 829179492 MODMMMAPMMGSPI-SNVBAGLBSA-N 250.317 3.575 30 20 CHED C=CCCCOC(=O)CCSc1ccc(F)cc1 735525660 LMMWTUYUVGCPIT-UHFFFAOYSA-N 268.353 3.817 30 20 CHED C=CCN(CCOC)Cc1csc(C2CCCCC2)n1 191117697 BKYYDIYYVWOQOT-UHFFFAOYSA-N 294.464 3.825 30 20 CHED CSc1ccc(C)c(NCc2cccc(C#N)n2)c1 1204969513 YYNTVOMPCZUAGF-UHFFFAOYSA-N 269.373 3.596 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)c(F)c2)C1 192049174 DLFJVNOGABLWLR-LSDHHAIUSA-N 292.423 3.803 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N1CCC[C@@](C)(C#N)C1 592788319 WVDCESZLRAOQQD-WBVHZDCISA-N 276.424 3.911 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(C#N)c(C)c1 796462202 GOIDPVUHGUOKSM-UHFFFAOYSA-N 257.333 3.512 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)c2cccc(F)c2C#N)C1 1142302051 QTJUHGOXANPWON-AVGNSLFASA-N 288.366 3.642 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CCCc2c1cnn2C 793523040 HNGFPLRUFKQXQL-ZBFHGGJFSA-N 275.440 3.912 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C[C@H](C)CCC#N 797404003 FCQPPDVTZZTHML-SNVBAGLBSA-N 279.775 3.591 30 20 CHED Fc1cccnc1NN=Cc1cnc(-c2ccccc2)s1 794982757 AJQXAXGGMUQCPG-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NNc1ncccc1F 794980418 KLERHXRETAHJMA-UHFFFAOYSA-N 286.285 3.596 30 20 CHED C=CC[C@H]1CCCN(Cc2nc([C@H](C)SCC)no2)C1 595659134 KYNKZKLDVCGZDZ-STQMWFEESA-N 295.452 3.672 30 20 CHED CC[C@@H](C)CCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 796739709 SWSRJTDSPAAJOE-NEPJUHHUSA-N 269.348 3.565 30 20 CHED N#CCC1(CNCc2cc(-c3ccccc3)ccc2O)CC1 797468772 OQHSPZJUIMEQLB-UHFFFAOYSA-N 292.382 3.843 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1 1219799027 CBDBHAXYEIUVEH-SMDDNHRTSA-N 289.354 3.788 30 20 CHED Cc1nnc(SC[C@H](C)C(C)(C)C)c(C#N)c1C 1165498259 XMYXIPLUTCGIBK-VIFPVBQESA-N 263.410 3.739 30 20 CHED CCC[C@H](C)CC(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1164584706 OLPLBIFMBSSBKW-JTQLQIEISA-N 284.363 3.508 30 20 CHED C[C@@H]1CC(NC(=O)Nc2ccc(F)cc2C#N)C[C@@H](C)C1 1310384816 IIGZKHQPUAZLRE-QWRGUYRKSA-N 289.354 3.644 30 20 CHED N#CCc1cccc(N2CCCC3(CCCCC3)C2)n1 1325709206 ABTFIHOHGDTGAI-UHFFFAOYSA-N 269.392 3.698 30 20 CHED N#CCCCCNC(=O)c1ccc(-c2cccs2)s1 1320137681 YTWDTTFEHNPRMV-UHFFFAOYSA-N 290.413 3.900 30 20 CHED OCCC[C@H]1CCCCC1=NNCc1ccccc1Cl 1324475889 PAKNSSFHYRKMQV-CYBMUJFWSA-N 294.826 3.748 30 20 CHED C=C(C)CCC(=O)NCc1c(F)cccc1SC 1337356644 DYMBUYRHQVMWCU-UHFFFAOYSA-N 267.369 3.520 30 20 CHED CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1Nc1cc(C)c(C#N)cn1 1185979792 UKLPVXLOEAQCJL-MAZHCROVSA-N 287.407 3.513 30 20 CHED N#CC1(CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 1331310550 OQYGWZMFPWZDGY-JKSUJKDBSA-N 288.435 3.889 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc2c(c1)C[C@@H](C)O2 1180029578 CFIKUJQYBAEEPN-OAHLLOKOSA-N 286.419 3.772 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1339034538 NUJZGIDUHIUXIQ-FGTMMUONSA-N 294.398 3.619 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1ccnc(C)n1 1335813402 AMYDLGGRDHNDSQ-ZDUSSCGKSA-N 296.418 3.983 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc2ncccc2c1 1262556640 XJLLSSOJTUPXPD-LBPRGKRZSA-N 254.333 3.776 30 20 CHED CCCCCCCCNC(=O)/C=C/c1nccs1 1340052351 RDSIEEDFZCLTJG-CMDGGOBGSA-N 266.410 3.633 30 20 CHED CC[C@@H](C)[C@@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1348882829 PVQPRTWFKNTLKZ-GHMZBOCLSA-N 255.321 3.758 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1C)C1CCCCC1 1352104082 WQIHSVPVIIOLFM-KRWDZBQOSA-N 284.403 3.955 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 1357266050 VMCPFCYGOAFLBE-JSGCOSHPSA-N 289.375 3.852 30 20 CHED C#CCCCCCC(=O)N1CCc2ccc(CC)cc2C1 1519145861 ZRBAVYIQWYRCKW-UHFFFAOYSA-N 283.415 3.717 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)O[C@@H](CC#N)c1ccco1 1520425064 HIZVWIYNPLPGDI-HIFRSBDPSA-N 291.347 3.515 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1526782538 YVJHOABLSZTPSJ-JKSUJKDBSA-N 284.403 3.578 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCc3c(C#N)cccc32)CC1 1529231931 MELQXZASFQYUDK-SHTZXODSSA-N 296.414 3.910 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C)cc(C#N)c1 1528385886 CTVBMNGOZUXDTB-HIFRSBDPSA-N 256.349 3.632 30 20 CHED Cc1cccc(CNc2c(F)cc(C#N)cc2F)c1 111142897 KLBSRAYKVRTNMD-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)cc1F 1525584147 ITNVOBPHPIEBNE-XJKSGUPXSA-N 288.366 3.738 30 20 CHED C=CCCC1(CNc2ccc(C(=O)O)nc2C#N)CCCC1 1602861016 WKAKHKOZDMCJAF-UHFFFAOYSA-N 299.374 3.590 30 20 CHED CNc1ccccc1CNc1ccccc1O[C@@H](C)C#N 1461382456 MZXYUNIMRQXBSW-ZDUSSCGKSA-N 281.359 3.631 30 20 CHED CC(C)(C(=O)O)c1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 1603270651 CBEZBNSTEYRKIU-DOMZBBRYSA-N 286.375 3.543 30 20 CHED C=CC[C@@H](Sc1nc2cc(Cl)ccc2o1)C(=O)O 1602848847 GWAFLFOODQYSRG-SNVBAGLBSA-N 283.736 3.603 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H](C)c2ccc(F)cc2)n1 1460435469 KCPYTJDTKDMPPK-NSHDSACASA-N 297.333 3.533 30 20 CHED CCCCCCCCC(=O)N(CCC)C1CCNCC1 115859032 XSVCAIPTVRDUGC-UHFFFAOYSA-N 282.472 3.728 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1cc(C#N)ccc1F 1625460929 WHTJPQBFGUZBQR-BZNIZROVSA-N 289.354 3.788 30 20 CHED CC(C)(C)C[C@@H](N=c1cc[nH]c(C#N)c1)c1ccccc1 1559113075 XEOKNAVTIRVVDO-QGZVFWFLSA-N 279.387 3.965 30 20 CHED Cc1cc(O)cc(NC(=O)c2ccccc2SCC#N)c1 1631446033 YPOZZWKPBNPWRL-UHFFFAOYSA-N 298.367 3.569 30 20 CHED C[C@@H](NC(=O)c1cccc(F)c1C#N)C1CCCCCC1 1632576016 ABMGERKLIYKEFU-GFCCVEGCSA-N 288.366 3.786 30 20 CHED C#CCCCCCCN[C@@H](c1ccccc1)[C@@H](C)C(=O)O 1588441374 GBEQGEMOXVAKKT-NVXWUHKLSA-N 287.403 3.622 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1589645076 MPBWGVANMYVUDZ-SOUVJXGZSA-N 297.439 3.600 30 20 CHED Cc1cc(=N[C@H](c2ccc(F)c(C)c2)C2CC2)c(C#N)c[nH]1 1650885407 OSAZKFANTCJTFF-SFHVURJKSA-N 295.361 3.694 30 20 CHED CCC1(CC)[C@@H](NCc2ccc(C#N)c(C)c2)C[C@@H]1OC 1662022744 VGDXXRQTNYMMJE-IRXDYDNUSA-N 286.419 3.550 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)[C@H](C)c1ccccc1 1776084581 ZXSRSWLGUSJULF-ZDUSSCGKSA-N 296.370 3.905 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)c1sccc1C 1776084536 XQLIUOHUBKWXIV-UHFFFAOYSA-N 288.372 3.520 30 20 CHED C[C@@H]1CCCC(=NNc2cccc(C(=O)O)c2)CC1 1776037656 SYHSAWSNHAQWPE-LLVKDONJSA-N 260.337 3.753 30 20 CHED C=CCN(C)C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 161545347 HWVLRRRSHWSENV-LLVKDONJSA-N 285.309 3.528 30 20 CHED CCCCCCCC(=O)N1CCOC2(CCCC2)C1 151568500 IMORFYNKFIOVSH-UHFFFAOYSA-N 267.413 3.519 30 20 CHED CCn1nccc1/C=C/C(=O)c1c(C)[nH]c2ccccc12 152635224 RNPNPKDFTACIDV-CMDGGOBGSA-N 279.343 3.589 30 20 CHED CCN(Cc1ccc(C#N)s1)Cc1ccccc1C 153741989 BMKJDZVELAIBIU-UHFFFAOYSA-N 270.401 3.950 30 20 CHED CCN(CCC#N)C(=O)Nc1cccnc1-c1ccccc1 157208984 TZCYRQPFVHSCFW-UHFFFAOYSA-N 294.358 3.516 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](C#N)C(C)(C)C 155280455 IJCKIAIRLXRRII-BXUZGUMPSA-N 292.810 3.573 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 157758247 GZKBGYPWLZHIDX-UHFFFAOYSA-N 290.697 3.591 30 20 CHED C#Cc1ccc(CNc2ccc(OC)cc2C)cc1 809598827 VKRYIKDMTRCQBP-UHFFFAOYSA-N 251.329 3.597 30 20 CHED Cc1nsc(NC2CCC(C(C)C)CC2)c1C#N 1162763679 WUPYKOVNJSOQDP-UHFFFAOYSA-N 263.410 3.950 30 20 CHED COc1ccc(C#N)cc1CN(CCC(C)C)C1CC1 129192396 BRIXSMSJUDORMG-UHFFFAOYSA-N 272.392 3.577 30 20 CHED N#Cc1ccc(N[C@H]2CCc3c(O)cccc32)c(F)c1 168244281 YGODOFWDQWHCAA-AWEZNQCLSA-N 268.291 3.502 30 20 CHED C[C@H](CCCC(F)(F)F)NCc1cccc(C#N)c1 163354430 PMIMSJMNWPZHNY-LLVKDONJSA-N 270.298 3.769 30 20 CHED CC1(C)CCC[C@@H](C(=O)NC2(C#N)CCCCC2)C1 179401273 ZVBOWEYQTUOBLC-CYBMUJFWSA-N 262.397 3.545 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)C 307994386 ALQLMUVOSDYLID-JTQLQIEISA-N 262.328 3.708 30 20 CHED CC(C)c1ccc(Sc2ncncc2C#N)cc1 310724915 KFVFPSUBHFDYLW-UHFFFAOYSA-N 255.346 3.623 30 20 CHED CCC(C)(C)c1ccc(Oc2cc(C#N)ncn2)cc1 312564364 IIMJEALCSUPZEJ-UHFFFAOYSA-N 267.332 3.828 30 20 CHED CSCCCSCc1ccc(F)c(C#N)c1 320415654 SOEMCKFVBCHUAG-UHFFFAOYSA-N 255.383 3.684 30 20 CHED C=CCCC(C)(C)NC(=O)c1nc(C(C)C)ncc1Cl 620861147 CTNSVOBHFDAOIN-UHFFFAOYSA-N 295.814 3.728 30 20 CHED CC1=C(C)C[C@H](C(=O)N2CCC(CCC#N)CC2)CC1 335503079 MAULYOAHMRRTFS-MRXNPFEDSA-N 274.408 3.665 30 20 CHED C=CCCCCNc1ccc(N2CCCC2=O)cc1 556414339 YRPWBSGCUMCCBM-UHFFFAOYSA-N 258.365 3.582 30 20 CHED Cc1cc(C#N)cc(NCc2nc(C3CC3)cs2)c1 453150924 UARCVRUHYYLITG-UHFFFAOYSA-N 269.373 3.813 30 20 CHED N#Cc1ccc(NC(=O)c2csc(Cl)n2)c(Cl)c1 822037837 WDTABKABIHKHPU-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(Br)cc1Cl 769963644 ZNYICDMFFLYWJC-SECBINFHSA-N 286.600 3.556 30 20 CHED COc1cc(CNc2cc(F)cc(C#N)c2)ccc1C 600855386 BJTGGGXSFKDBFQ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1 51626896 CDKOKBGBOYWTNB-SFHVURJKSA-N 280.371 3.830 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(C#N)c2)o1 53163061 GKXAVEFYOGDMPJ-LRDDRELGSA-N 294.354 3.846 30 20 CHED CCOC(=O)Nc1ccc(OCc2ccccc2C#N)cc1 107675737 XSAVSPJPUKACGL-UHFFFAOYSA-N 296.326 3.706 30 20 CHED C=C(C)CNC(=S)Nc1ccccc1OCC(C)C 54971743 WLLYYZPWFGMKMB-UHFFFAOYSA-N 278.421 3.584 30 20 CHED CCCCCCCC(=O)Nc1cc(F)ccc1N 112700810 WSDJRDKKPSVKEG-UHFFFAOYSA-N 252.333 3.707 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(N(C)C(C)C)c1 109386950 IAAWIXGVEDMWIV-UHFFFAOYSA-N 287.407 3.737 30 20 CHED CCOc1cccc(/C=N\CCc2cccs2)c1O 105496957 RWFHYVOEDDWHRH-WJDWOHSUSA-N 275.373 3.514 30 20 CHED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CC2=CCCCC2)c1 106984074 ZUCHXTQOCGMVIK-INIZCTEOSA-N 296.370 3.533 30 20 CHED CC(C)(CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 25503422 PYRRKNWIWFOECL-UHFFFAOYSA-N 295.342 3.856 30 20 CHED CC(C)c1ccc(C2(C(=O)NC[C@H](C)C#N)CCCC2)cc1 171847508 ZDFSVYRDSGFKSJ-OAHLLOKOSA-N 298.430 3.898 30 20 CHED Cn1ccc(NCc2ccc(-c3ccccc3C#N)cc2)n1 179901168 SZZUQZSRWHTMDQ-UHFFFAOYSA-N 288.354 3.571 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](CC)c1cccc(Cl)c1 69343539 UTYLVRIDFSUUFV-DOMZBBRYSA-N 295.810 3.889 30 20 CHED CC(C)[C@H](C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 178997716 RNCARLZEOKLFTD-NSHDSACASA-N 299.399 3.912 30 20 CHED CCCCCCCCCCC(=O)NC1(C#N)CCOCC1 115464272 ZZYAQXUYJJMNKV-UHFFFAOYSA-N 294.439 3.706 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2cccc(CC#N)c2)c1 177787234 ZMDUMXUHUYJYIB-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)C1CC1 177778209 VHOZDQSKWKGWAL-GCZGVDRJSA-N 274.389 3.799 30 20 CHED CC(C)OCCNc1ccccc1SCCC#N 178386081 DUBDVFAJWNWIPO-UHFFFAOYSA-N 264.394 3.529 30 20 CHED CC[C@@H](Nc1ccc(C#N)nc1)c1ccc(F)cc1F 301504275 ICLPUZXQASLFHW-OAHLLOKOSA-N 273.286 3.795 30 20 CHED C=CCNc1nnc(S[C@@H](C#N)C2CCCCC2)s1 115184714 VQBWUFNRMVSVQB-NSHDSACASA-N 294.449 3.701 30 20 CHED Cc1cccc2cc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)oc12 408004243 KAUHEUATZUZKKP-KZULUSFZSA-N 296.370 3.944 30 20 CHED COc1ccc(/C=C2/COc3c(C)cc(C)cc3C2=O)cc1 63411990 JUPABRAHHUKAFQ-GDNBJRDFSA-N 294.350 3.971 30 20 CHED Cc1ccc(SCC(=O)Nc2cc(C#N)ccc2C)cc1 63960905 ULXIHTXEHVTTAI-UHFFFAOYSA-N 296.395 3.906 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc2ccccc12 69311663 KFTVHBWUXJIFQS-CYBMUJFWSA-N 269.344 3.760 30 20 CHED C#Cc1cccc(NC(=O)NCc2ccccc2CC)c1 303815421 DMFRDEORFKFSEL-UHFFFAOYSA-N 278.355 3.552 30 20 CHED N#Cc1ccc(N2CCC[C@H]2CCCc2ccccc2)nc1 301715104 WWOFBDFXTCDMNA-GOSISDBHSA-N 291.398 3.945 30 20 CHED CCS[C@@H]1CCCCN(c2c(F)cc(C#N)cc2F)C1 301219961 ASJPCCMRYALVCO-GFCCVEGCSA-N 296.386 3.948 30 20 CHED N#Cc1ccc(CSc2ccc(O)cc2)c(F)c1 37995824 AEYAASHUESAKLI-UHFFFAOYSA-N 259.305 3.695 30 20 CHED CC[C@H](C#N)OC(=O)c1cncc(-c2ccc(C)cc2)c1 127268435 RAFMNTSIDKSIGN-MRXNPFEDSA-N 280.327 3.516 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccccn1 37777411 AYUMXUKCSGMKFU-AWEZNQCLSA-N 281.359 3.937 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(Cl)c2F)cc1 124835725 TYCUFRWTFNMPLZ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H]1c1cccc(Cl)c1 123191197 VDBCLLLKSXQVTD-HZPDHXFCSA-N 279.811 3.804 30 20 CHED C=C(C)[C@@H](NC(=O)Cc1ccoc1)c1ccc(F)c(F)c1 186033616 GCOBFYOMQHAVBD-MRXNPFEDSA-N 291.297 3.534 30 20 CHED C[C@@H]1CCC[C@H](CON=C2CCC3(CC2)OCCO3)C1 180791249 ISMDVELKZTXJFE-KGLIPLIRSA-N 281.396 3.502 30 20 CHED C#CCCCCC(=O)Nc1ccccc1CC(F)(F)F 120212707 ROWTWCBTWWRHSA-UHFFFAOYSA-N 283.293 3.924 30 20 CHED Cc1cc(F)c(F)cc1OCCOc1ccccc1C#N 314427534 ZSSGNEDZGSQNLJ-UHFFFAOYSA-N 289.281 3.603 30 20 CHED Cc1ccc2c(c1C)N(C(=O)c1cc(C#N)cs1)CCC2 411096707 SABQRBGDJWOFEV-UHFFFAOYSA-N 296.395 3.830 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccccc2OC)n1 508665815 MUABXGPRKPHOQX-PKNBQFBNSA-N 270.332 3.757 30 20 CHED CC(C)Cc1ccc(CCC(=O)N(C)[C@H](C)CC#N)cc1 125164239 ICHFZDLLSYXWLB-OAHLLOKOSA-N 286.419 3.578 30 20 CHED CC[C@H](c1ccc(F)cc1)[S@@](=O)CCCCC#N 78734957 DCFPGCYUYHZWQN-RDTXWAMCSA-N 267.369 3.719 30 20 CHED CO[C@H](C)c1nc(CNc2cc(C)cc(C#N)c2)cs1 453146810 MZIKWRNVIHTHNX-LLVKDONJSA-N 287.388 3.643 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(OC)cc(Cl)c1F 412292468 VAJGIMSQRDVVGG-JTQLQIEISA-N 297.757 3.668 30 20 CHED Cc1cc(-c2nnco2)ccc1NCc1ccc(C#N)cc1 315390792 FLVGSIVUZROERM-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(C#N)ccc1F 441470561 XEXGJTCMSKWHTM-IFIJOSMWSA-N 272.367 3.850 30 20 CHED CC(C)Oc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 186787281 LOARHZJCWRIYFV-UHFFFAOYSA-N 298.317 3.737 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1[N+](=O)[O-] 213696974 AHQGLEKDGQAPCF-FPLPWBNLSA-N 283.283 3.505 30 20 CHED C=C(C)CN(C)C(=O)c1csc(-c2ccccc2F)n1 180397072 KFPDEVPJKWNJAG-UHFFFAOYSA-N 290.363 3.597 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 501231516 IBYDOVXIDNSXSP-CQSZACIVSA-N 272.392 3.579 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccccc1Nc1ccccc1 183949051 VFMKCXFELGCKDZ-AWEZNQCLSA-N 293.370 3.852 30 20 CHED C[C@@]1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC=CCC1 410646304 YZGIVRISMMZZMW-GDBMZVCRSA-N 288.778 3.767 30 20 CHED CCO[C@H]1C[C@@H](N(C)CCCC(C)(C)C#N)C12CCC2 120835111 UNZMNQGEDNKGQO-CABCVRRESA-N 278.440 3.596 30 20 CHED CCC[C@@H](C)CC(=O)N(CCC#N)C(C)(C)CC 189929228 PEOVLFQDXUUDAC-CYBMUJFWSA-N 252.402 3.744 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCC2 37748789 YDLWAWXOEAADJQ-CQSZACIVSA-N 276.383 3.898 30 20 CHED C=C(C)CCc1noc(CSCc2ccc(C#N)cc2)n1 508622429 XDYIHZXBKYUZAQ-UHFFFAOYSA-N 299.399 3.883 30 20 CHED COc1cccc(CSCc2cc(F)ccc2C#N)n1 180470391 DBPGPOQKSSTLSS-UHFFFAOYSA-N 288.347 3.534 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)c1cccc(Cl)c1 410831080 XTELHSIAPFNCOO-RISCZKNCSA-N 278.783 3.594 30 20 CHED Cc1ccc(NC(=O)N(CCC#N)CC2CC2)c(Cl)c1 78440065 NNSPDMOOVSRHAN-UHFFFAOYSA-N 291.782 3.806 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@H](SCC)C2)CCC1 188894474 YIUZSQBIRLLJGX-KBPBESRZSA-N 281.465 3.913 30 20 CHED Cn1cc(C(=O)/C=C/c2cccc(Cl)c2Cl)cn1 49151524 HRKMAHBCUJBVGN-AATRIKPKSA-N 281.142 3.623 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2sccc2C)cc1 72614265 SVHPBSOKNRBKFJ-VMPITWQZSA-N 286.352 3.739 30 20 CHED CC(=O)Nc1ccc(F)c(NCCCC(C)(C)C#N)c1 133667337 VLSDBPIJAHASFC-UHFFFAOYSA-N 277.343 3.526 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@](C)(C=C)CC 413979174 AQIBASIJHPCUCO-AEFFLSMTSA-N 271.404 3.892 30 20 CHED Cc1ccc(CNc2ccc(F)cc2OCC#N)c(C)c1 181547719 ZGHAPUCSHPRPFC-UHFFFAOYSA-N 284.334 3.957 30 20 CHED Cc1noc(C)c1/C(O)=N/CC1(c2ccncc2)CCCC1 329205138 DHNAZFHCJCOIJL-UHFFFAOYSA-N 299.374 3.503 30 20 CHED CC(C)c1scnc1N=C(O)[C@@H]1CCC(=O)[C@@H](C)C1 329578006 KLTVDAIEEITBAO-VHSXEESVSA-N 280.393 3.860 30 20 CHED N#CCCN(CCC#N)Cc1cc(Cl)cc2cccnc12 132808894 VQTBMAGSXDRKRL-UHFFFAOYSA-N 298.777 3.518 30 20 CHED CN(CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 193042930 MRPNSPGDBWLLMG-UHFFFAOYSA-N 290.410 3.981 30 20 CHED C=CC[C@H](C)NC(=O)/C=C/c1cnc(C(C)(C)C)s1 80348392 PVBCGZCRQFNYHL-FBOQAHMBSA-N 278.421 3.535 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(N2CCCC2)cc1 190498116 FGUMDRVOTOQIOL-GOSISDBHSA-N 286.419 3.505 30 20 CHED CCCC1(/C(O)=N/[C@H]2CCC(O)=NC23CCC3)CCC1 328715000 CRCSDXMKWBPDCI-LBPRGKRZSA-N 278.396 3.955 30 20 CHED C[C@H](Nc1ncccc1C#N)c1cc2ccccc2o1 45438544 JLJHVHZFPDEXTA-NSHDSACASA-N 263.300 3.873 30 20 CHED C[C@@H]1CC[C@@H](C)N1CC(O)=Nc1c[nH]nc1-c1ccccc1 329185764 OSJDQIFYCJNBKC-CHWSQXEVSA-N 298.390 3.538 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(Br)cc2)C1 612163562 UIANDXZHYUHDOV-CQSZACIVSA-N 293.208 3.575 30 20 CHED N#Cc1cccc(CNc2nc3cc(Cl)ccc3o2)c1 134426999 MEFAKZIRAOUUTL-UHFFFAOYSA-N 283.718 3.965 30 20 CHED O/C(=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1c[nH]c2ncccc12 328999687 KUQKLOMAAVJMLN-JYEJFNDASA-N 295.386 3.692 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(OC)ccc1OCC 130948969 KAQZKUZEVPDMIY-UHFFFAOYSA-N 289.375 3.801 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)[C@H]2CCCOCC2)c1C 329933532 BNHCSNHYDVYXNQ-YPMHNXCESA-N 279.384 3.567 30 20 CHED C=C(C)COC(=O)CCCOc1ccc(Cl)cc1 195681987 VIVJVDYEWKTURR-UHFFFAOYSA-N 268.740 3.618 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(c2ccc(C#N)nc2)C1 425288065 WPBFLFWDEIVTPP-KRWDZBQOSA-N 277.371 3.931 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](OCCC)CC2)CCC1 191481074 IQBFHWCDFYHIGI-OAHLLOKOSA-N 279.424 3.541 30 20 CHED Cc1ccnc(N(C)[C@@H](C)c2cccs2)c1C#N 135069512 CQKCFKHSDHKDOV-NSHDSACASA-N 257.362 3.521 30 20 CHED CCO[C@@H](C)c1nc(-c2cccc(C#N)c2)cs1 80744774 IXKFLZVRTSLJFW-JTQLQIEISA-N 258.346 3.779 30 20 CHED C#CCCCC(=O)Nc1cccc(Oc2ccccn2)c1 192143374 IHUIWPCQDUGIBQ-UHFFFAOYSA-N 280.327 3.616 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/C[C@@]1(C)CCCS1 330027153 MQDDWAFATHNDIK-OAHLLOKOSA-N 294.420 3.526 30 20 CHED N#CCc1cccc(C(=O)Oc2ccc(Cl)cc2F)c1 192501178 IFXSKZHSEOVXBI-UHFFFAOYSA-N 289.693 3.764 30 20 CHED CCCCCC(C)(C)CNC(=O)NCCCCC#N 87086126 RGNJWIXCXPJMQH-UHFFFAOYSA-N 267.417 3.586 30 20 CHED CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(C#N)ccc1C 81065488 IZJNTSQFJZBLJB-FZMZJTMJSA-N 271.364 3.519 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 424790679 XUBPCBYXFFWNLB-CVEARBPZSA-N 287.403 3.625 30 20 CHED CN(C(=O)CCc1ccc(Cl)cc1)c1cccc(C#N)c1 143576787 ZLFBOVMPLHZJMB-UHFFFAOYSA-N 298.773 3.807 30 20 CHED CCC[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424194804 MAPZYCBXUIHFJA-USXIJHARSA-N 256.393 3.852 30 20 CHED Cc1ccnc(-c2cccc(N=C(O)[C@@H]3CC[C@H](C)O3)c2)n1 330076093 GRNFECKCJASYCY-WFASDCNBSA-N 297.358 3.608 30 20 CHED CN(CCCCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 429723715 KTAGREWQSUONHH-SJORKVTESA-N 256.393 3.633 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)C1(C#N)CCCCC1 516705112 KJDDJFGAIRLHBV-UHFFFAOYSA-N 284.403 3.818 30 20 CHED C=CCN(CCC#N)CCn1ccc2cc(Cl)ccc21 428864488 CKTSVICXNLCSMR-UHFFFAOYSA-N 287.794 3.696 30 20 CHED CC(C)(C)CCCC/N=C(/O)N[C@@H]1CCCc2c[nH]nc21 331116812 MMIYUAZCHOSBDY-CYBMUJFWSA-N 292.427 3.507 30 20 CHED CSc1cccc(NC(=O)c2cccc(C#N)c2)c1C 334232172 MNAKDFAERPHPBH-UHFFFAOYSA-N 282.368 3.841 30 20 CHED C=CCCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 617617689 QHBHXDJDIHFIIV-UHFFFAOYSA-N 277.673 3.665 30 20 CHED N#Cc1ccc(NC(=O)NCc2cccs2)c(Cl)c1 336315902 SWOHSNQRIOQXID-UHFFFAOYSA-N 291.763 3.595 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc(Cl)cc1C 293302683 ITBKFSKPBDLFNJ-UHFFFAOYSA-N 252.745 3.584 30 20 CHED Cc1ccc2c(C(=O)N3CCC(CC#N)CC3)csc2c1 335767550 QWCKQWMDDNIVEW-UHFFFAOYSA-N 298.411 3.976 30 20 CHED CSCC[C@@H](C)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 93558702 VFYMYJFNUSRJDG-KGLIPLIRSA-N 292.448 3.551 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 90920885 QPGWYRKMYSYCGO-JKSUJKDBSA-N 297.801 3.847 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC=C(c2cccc(C)c2)CC1 92517667 PWDOQJAONFGTKB-INIZCTEOSA-N 299.414 3.592 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)Cn2ccc(C#N)c2)cc1 339193007 NTKOSAURNBFHPB-CYBMUJFWSA-N 281.359 3.512 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H](C)[C@@H](C)C1 338847111 KCRWDRBPMRWPGJ-KBPBESRZSA-N 288.439 3.604 30 20 CHED CC(C)[C@H](CC(=O)NCC1(CC#N)CC1)c1ccccc1 431182654 PCOOXXVDPNSWOM-INIZCTEOSA-N 284.403 3.626 30 20 CHED CCCCCn1nc(C)cc1NC(=O)C(C#N)(CC)CC 528782400 JELORVLQCXEEAL-UHFFFAOYSA-N 290.411 3.650 30 20 CHED C=CC1CCN(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)CC1 521379071 AZDKIWNDDLZNGW-DOMZBBRYSA-N 288.391 3.511 30 20 CHED CCN(C(=O)[C@@H]1C[C@@]1(C)CC)[C@H](C)c1ccc(C#N)cc1 246403139 LLEVBAWHSXJCJU-RPVQJOFSSA-N 284.403 3.904 30 20 CHED C[C@@H](CSCc1cccc(C#N)c1)C(F)(F)F 439024309 ZXKOQQNGJNCXSA-VIFPVBQESA-N 259.296 3.990 30 20 CHED N#Cc1ccc(CN(Cc2ccc(F)cc2)C2CC2)cc1 247639606 GKCOFQLLFPQTTO-UHFFFAOYSA-N 280.346 3.862 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(Cl)c1F 620858187 ZNNLOEWRBRBOIN-UHFFFAOYSA-N 269.747 3.954 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC(C(F)(F)F)CC1 432558337 AFGGOCRNEXFMQK-UHFFFAOYSA-N 292.345 3.573 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C 528578823 DODCQBQGTJRJHE-GDBMZVCRSA-N 284.403 3.721 30 20 CHED CC(C)(C#N)CCCCn1nnnc1/C=C\c1ccccc1 436183548 AUERCOQNHZOTAW-KHPPLWFESA-N 295.390 3.564 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccnc(SCC)c1 343243723 AJTLIKXHWNPSFA-GFCCVEGCSA-N 278.421 3.668 30 20 CHED N#Cc1cc(N(C#N)Cc2ccccc2Cl)ccc1F 525757820 AIOOSOFDRPUAFF-UHFFFAOYSA-N 285.709 3.838 30 20 CHED Cc1cccc(C)c1OCCSc1cc(C#N)ccn1 603727002 WOLMPXSNQKBSJR-UHFFFAOYSA-N 284.384 3.741 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1cc(C#N)cs1)C2=O 254994681 FZJKDXMRQZAFCQ-MLPAPPSSSA-N 295.363 3.895 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1 255629616 YJMCJSDJDAHKME-MLPAPPSSSA-N 281.355 3.744 30 20 CHED CC(C)C1CCC(N(C)CCCSCC#N)CC1 433183018 QQNRKAIPPYLLCA-UHFFFAOYSA-N 268.470 3.780 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cccc(C(F)(F)F)c1 343584384 OHPIVMCETSWOJG-SNVBAGLBSA-N 268.282 3.660 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H](C)C1 345055182 DMMPXMYZHQZMCH-WMLDXEAASA-N 284.403 3.733 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCc3cc(F)ccc32)n1 342566855 MALORLLJJUSDDB-MRXNPFEDSA-N 281.334 3.809 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(N2CCCC2=O)c1 343463672 MQPJRJYCLKSIGE-GOEBONIOSA-N 286.419 3.819 30 20 CHED C=C1CCN(Cc2ncc(-c3ccccc3)s2)CC1 342938086 JLPDOKNBAXXFDP-UHFFFAOYSA-N 270.401 3.962 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@@H](C)C1 606922061 KTVGZGVRCBDXCK-CABCVRRESA-N 266.429 3.953 30 20 CHED N#Cc1ccc(SCCOCC(F)F)c(Cl)c1 340694522 GUCUGVYKFPNGDT-UHFFFAOYSA-N 277.723 3.585 30 20 CHED C=CCOCCCC(=O)N(C)[C@@H]1CCCc2ccccc21 608107547 YDRZSTYXNHOZHG-QGZVFWFLSA-N 287.403 3.505 30 20 CHED C=CCC1(CN[C@@H](C)[C@@H]2CCCOC2)CCCC1 449606387 QKRACCLMKNEOLA-LSDHHAIUSA-N 251.414 3.528 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC(c3ccccc3)CC2)n1 603438493 WTOXYJLTLZZNEO-UHFFFAOYSA-N 291.398 3.954 30 20 CHED C=CCn1c(C)nnc1N1CC[C@@H](c2ccccc2)C[C@H]1C 350752493 PBMJXHUZDIJTCN-RHSMWYFYSA-N 296.418 3.545 30 20 CHED Cc1ccnc(N2CCCC23CCCCC3)c1C#N 542211269 NPWLLOULASQPFF-UHFFFAOYSA-N 255.365 3.565 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc(C)c(Cl)cc1C 354585662 NSCUAQUSHVPIFY-SNVBAGLBSA-N 278.783 3.579 30 20 CHED Cc1ccoc1CNc1cc(C#N)ccc1OC(C)C 354867006 KRMVGNYWUUNSKP-UHFFFAOYSA-N 270.332 3.859 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccccc2N2C[C@H]3CC[C@H]2C3)C1 442859698 QTVASCGRRBTFDD-QXSJWSMHSA-N 281.403 3.779 30 20 CHED N#Cc1ccc(CNC2(c3ccc(F)cc3)CC2)c(F)c1 533309457 ARNXVGZXQUXHLD-UHFFFAOYSA-N 284.309 3.615 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1ncc2ccccn12 604075780 KKSHOEYXEMDTPQ-HNNXBMFYSA-N 279.368 3.561 30 20 CHED C=CCC[C@@H](CC)NCc1ccnc(C(F)(F)F)c1 449437409 KNUKKZGUHNQRBF-GFCCVEGCSA-N 272.314 3.935 30 20 CHED CSCCc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 442892536 VKQZJECXMVJKRV-UKRRQHHQSA-N 260.406 3.696 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1 449145650 AAVSQFBCTWKIMF-ULQDDVLXSA-N 294.483 3.794 30 20 CHED N#CC[C@@H](CC(=O)Nc1ccccc1F)c1ccccc1 353338389 SMYQCPFRZNGHCB-AWEZNQCLSA-N 282.318 3.852 30 20 CHED CC#CCCNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 446868846 UJSPZSGJJUWALX-JTQLQIEISA-N 299.201 3.767 30 20 CHED CC(C)(CC(=O)NCCCCC#N)C1CCCCC1 355674350 NEPXMQOGCWGQOA-UHFFFAOYSA-N 264.413 3.793 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccnc(-c2ccccc2)c1 352948976 VRRYHKVNQVYLPJ-KRWDZBQOSA-N 279.343 3.627 30 20 CHED CCC[C@@H](Nc1cccc(C#N)n1)c1ccccc1 531195321 SZXKVKXECYBLTJ-OAHLLOKOSA-N 251.333 3.907 30 20 CHED CCS[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)C(C)C 610362981 IBYSJCGBSQZWBW-WFASDCNBSA-N 290.432 3.513 30 20 CHED CC1CCC(CC(=O)Nc2ccc(C#N)cc2)CC1 359675236 CGWNENYYDURPMA-UHFFFAOYSA-N 256.349 3.713 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NCc1ccnc(C#N)c1 617226372 FRQBELCYWSYBRH-WBVHZDCISA-N 271.408 3.648 30 20 CHED N#Cc1ccccc1/C=C\c1nc(-c2ccccc2F)no1 612869784 IRZSUYSUOPCMIM-KTKRTIGZSA-N 291.285 3.918 30 20 CHED C[C@@H](CCc1ccc(O)cc1)NC1CCC(C)(C#N)CC1 449129508 VJABAKYKLUKNKC-NXVRBGIVSA-N 286.419 3.775 30 20 CHED Cc1occc1-c1noc(C2(c3cccc(C#N)c3)CC2)n1 354032211 WJJRJEJSVLFHJH-UHFFFAOYSA-N 291.310 3.590 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC1CCCCCC1 618804758 LYRWFXGOKDDUEI-QGZVFWFLSA-N 254.377 3.858 30 20 CHED C[C@@H](C(=O)Nc1cc(CC#N)ccn1)c1cccc(Cl)c1 531670699 BULGVGDVBQHEQE-LLVKDONJSA-N 299.761 3.543 30 20 CHED CC(C)CCN(C)Cc1ccccc1C(C)(C)C#N 610859206 QEXIVULYBLICTL-UHFFFAOYSA-N 258.409 3.966 30 20 CHED C=CCOCCCC(=O)N(Cc1cccc(F)c1)C(C)C 266321157 ZGXXYLAZAGBUGU-UHFFFAOYSA-N 293.382 3.546 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](c1ccccc1)C1CC1 538612561 XSOVAPRDRLNSRZ-HZPDHXFCSA-N 272.392 3.792 30 20 CHED CC[C@H](NC(=O)N(C)CC(C)(C)C#N)c1ccc(C)cc1 457483612 FYOYFANSPZTHSV-HNNXBMFYSA-N 287.407 3.637 30 20 CHED C=CC(C)(C)CNC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 458985865 JJEHZTVJXFPUDP-MGPQQGTHSA-N 264.413 3.561 30 20 CHED CCN(Cc1ccc(C#N)cc1)c1cccc(OC)c1 532663167 NEEHVNYAWBYQME-UHFFFAOYSA-N 266.344 3.593 30 20 CHED CCCCNc1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1 612397482 UMIMEWVNGJAQMN-SFHVURJKSA-N 299.418 3.664 30 20 CHED CC[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)C1CCCC1 456649045 BZRVBGVKGHRSSF-ZWKOTPCHSA-N 298.430 3.844 30 20 CHED COc1c(C)cc(C(=O)Nc2ccc(C#N)c(F)c2)cc1C 362285432 HUYIDCFICBWTFZ-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C=CCCCCCCCCNC(=O)C1=CCCCO1 807844251 WYYBTNUGYXYQDV-UHFFFAOYSA-N 265.397 3.714 30 20 CHED C=C[C@@H](N[C@H](C)c1ccc(SC(C)C)cc1)C(=O)OC 619701190 AKLQZJQNALORHS-IUODEOHRSA-N 293.432 3.565 30 20 CHED CC#CCCCC(=O)N(CC)Cc1ccc(C)cc1 546630806 LSPNBOJHBPBTGD-UHFFFAOYSA-N 257.377 3.537 30 20 CHED C=CCCc1nc(Cc2ccc(F)cc2Cl)no1 544948352 KOIYWFPFTSJCPN-UHFFFAOYSA-N 266.703 3.572 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](CC(C)(C)C)C1 457077173 KHELHWYXTSLFIC-ZDUSSCGKSA-N 251.414 3.873 30 20 CHED C=CCN(C(=O)c1cnn(C(CC)CC)c1CC)C1CC1 362491886 GWCWAQYWJDAEAD-UHFFFAOYSA-N 289.423 3.597 30 20 CHED CO[C@H](Cn1cc(C)c(C#N)c1)c1ccc(Cl)cc1 548874391 VOGJDRSDRQNLKE-OAHLLOKOSA-N 274.751 3.709 30 20 CHED FC(F)(F)c1ccc(C#CCNC2CC3(CCC3)C2)cc1 459454275 CXVCUDCKTVBXMK-UHFFFAOYSA-N 293.332 3.979 30 20 CHED C[C@@H]1CCCC[C@H]1N1CCC(NCC(C)(C)CC#N)CC1 459734695 SOGRJWJYXUXUOT-NVXWUHKLSA-N 291.483 3.559 30 20 CHED CC(C)(CC#N)CNCc1ccccc1OC(F)(F)F 459688038 HNDWITDFDMDVMB-UHFFFAOYSA-N 286.297 3.615 30 20 CHED C=CCC1(C(=O)N2CCO[C@H](CCC)C2)CCCCC1 450274991 DDMKWCLIMBCCER-OAHLLOKOSA-N 279.424 3.541 30 20 CHED C=CCC1(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)CCCC1 451802705 NIAHEVJSLOPUPB-CZUORRHYSA-N 285.387 3.761 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C 455326644 ORILFZDDUUXMMJ-WBVHZDCISA-N 286.419 3.930 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]1F 455080128 IUUKBGWDXLSIRH-CVEARBPZSA-N 290.382 3.665 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(F)cc(F)c1 362475154 XJPVIUCTAGVKGS-CYBMUJFWSA-N 266.291 3.537 30 20 CHED Cc1sc2nc(S[C@H](C)CCC#N)nc(N)c2c1C 276142449 BQQXANHTFSRMOE-SSDOTTSWSA-N 292.433 3.675 30 20 CHED CC[C@H](NCc1ccc(OC)c(O)c1)c1ccc(C#N)cc1 278786666 QDYSEXGAPGNZTH-INIZCTEOSA-N 296.370 3.513 30 20 CHED C=CCCc1nc(-c2cccc(OC(C)C)c2)no1 544517605 ZCITYDLVNPPGCQ-UHFFFAOYSA-N 258.321 3.642 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N[C@H](CC)CC#N 547294336 MBZRTRRWAUUQKT-LSDHHAIUSA-N 264.413 3.791 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(C#N)c(Cl)c1 469841060 KUULKYZOGJXHCK-WDEREUQCSA-N 276.767 3.976 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 466135717 XMWGDEPBIQRYFZ-QLFBSQMISA-N 264.413 3.563 30 20 CHED C=CCC[C@@H](CCC)NCC1(CCO)CCCC1 462117591 CEPAKJDWKUJAAS-OAHLLOKOSA-N 253.430 3.654 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C#N)s1 540895564 PRPMELUXDCAIFF-ZBEGNZNMSA-N 296.395 3.673 30 20 CHED C=C(CC)CN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 463216677 WGZUWGNXYVKUFT-YYIAUSFCSA-N 265.441 3.604 30 20 CHED CC(C)(C)c1ccc(-c2noc(CSCC#N)n2)cc1 279086826 VVCQYTJWNZCRFE-UHFFFAOYSA-N 287.388 3.791 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccnn1C(C)C 279645528 MGDBIEIXKJOACQ-UHFFFAOYSA-N 276.428 3.616 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCc2cc(C)ccc21 460948166 VJDZYDGEJXRPQD-UHFFFAOYSA-N 294.402 3.734 30 20 CHED C=CC[C@@H](CC)NCc1cc(C)c(Br)cn1 623513247 PNRXFCZWMCYUNW-LLVKDONJSA-N 283.213 3.597 30 20 CHED CCN(CC)C(=O)c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 280669843 LYKXPLQNFHTDJW-RHSMWYFYSA-N 299.418 3.663 30 20 CHED C=CCCCOc1ccc(OCC(F)(F)F)cc1 462639428 IKLHCWNJQNCMRK-UHFFFAOYSA-N 260.255 3.973 30 20 CHED N#Cc1ccc(C(=O)NCCC2=CCCCCC2)cc1 464249564 PZFQFUVBNUROFA-UHFFFAOYSA-N 268.360 3.569 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C)c1ccc2nc(O)oc2c1 631738001 ZPKRKRQVZLGEKQ-WCQYABFASA-N 274.364 3.929 30 20 CHED N#Cc1cccc(C#N)c1NC1CCC2(CCOCC2)CC1 373048485 VYZVKLCQMOITEB-UHFFFAOYSA-N 295.386 3.581 30 20 CHED Cc1oc(C#N)cc1-c1nc(CC2CCCCC2)no1 289057236 XZYCDIGYOTWLRM-UHFFFAOYSA-N 271.320 3.633 30 20 CHED CC[C@@H](NCc1ccn(C(C)C)n1)c1ccc(C#N)cc1 559985418 YTWCENKQLUBQBK-QGZVFWFLSA-N 282.391 3.577 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)c1ccc(F)c(C#N)c1 551648237 SBDWFKCQOCQFIR-UHFFFAOYSA-N 290.382 3.842 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)c2cc3cccc(F)c3o2)n1 557684552 LJPPIKFOUDFTAT-JTQLQIEISA-N 296.305 3.715 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801903741 YUMNDMQBDFHIBC-JOYOIKCWSA-N 289.272 3.797 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(C#N)ccc1F 476121833 OWCDJYSNXXGTQM-HIFRSBDPSA-N 288.366 3.530 30 20 CHED Cc1csc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1 294774637 ZJQWCFRIRHVFOP-QGZVFWFLSA-N 298.411 3.701 30 20 CHED C=CCCCCNc1ccc(C(C)=O)cc1[N+](=O)[O-] 472651314 ORGAZGRLEVLSTP-UHFFFAOYSA-N 262.309 3.566 30 20 CHED N#CCc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1 550623761 ALJHEZSLSKZQAK-UHFFFAOYSA-N 297.264 3.748 30 20 CHED CCC[C@@H](C)c1noc(-c2ccc(C)c(C#N)c2)n1 809358345 CDTOUVYXZPMUJD-LLVKDONJSA-N 255.321 3.820 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(OC)c(C)cc1C 478581661 FOUTXUDLBPROOR-MRXNPFEDSA-N 261.365 3.853 30 20 CHED C=CCCOCCNC(=O)N(C)C1CCC(CCC)CC1 479753484 VGJFDTCQCGKRMM-UHFFFAOYSA-N 296.455 3.579 30 20 CHED CC[C@H](Nc1cc(C#N)ncn1)c1ccc(Cl)s1 569188482 YSUYLDOMTGLLON-VIFPVBQESA-N 278.768 3.626 30 20 CHED Cc1ccccc1CCCSc1ccc(C#N)cn1 470833871 XKOZOHQDFPNILP-UHFFFAOYSA-N 268.385 3.987 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCc2ccc(F)cc21 565594189 LBLLAKBMMSOYNF-AWEZNQCLSA-N 261.340 3.532 30 20 CHED CCCN(Cc1c(F)cccc1Cl)C(=O)C(C)(C)C#N 299438974 OLSDFLLKNAPMEE-UHFFFAOYSA-N 296.773 3.767 30 20 CHED C=CCCOCCNCc1c(Cl)cccc1CC 474000731 KBLDWJBEJUBKBM-UHFFFAOYSA-N 267.800 3.585 30 20 CHED Cc1ncn(-c2ccc(N[C@H]3CC[C@H](C#N)C3)cc2)c1C 564662015 UYAVNZLNGDNLJD-HOCLYGCPSA-N 280.375 3.593 30 20 CHED C[C@]12CCN(c3ccc(F)cc3C#N)C[C@@H]1C2(Cl)Cl 804704159 DSOZNFZXGDYUET-STQMWFEESA-N 299.176 3.717 30 20 CHED C#CCCN[C@H](C)c1ccc(Oc2cccnc2)cc1 808764324 RAJFPCXDAOCYIW-CQSZACIVSA-N 266.344 3.548 30 20 CHED C[C@H](CC(=O)OCCCSCC#N)CC(C)(C)C 805416370 WFOJZUYNNTWRLW-GFCCVEGCSA-N 271.426 3.639 30 20 CHED C=CCCCCOc1ccc(N(C)C(=O)NC(C)C)cc1 561223060 RKCQCHCSOVSEGY-UHFFFAOYSA-N 290.407 3.976 30 20 CHED N#CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 563828344 SPRGJGDQEABOOH-BRWVUGGUSA-N 288.435 3.745 30 20 CHED N#Cc1cc(C(=O)Nc2cc(F)ccc2Cl)ccc1F 566752146 DLPMBMGRNCYDPR-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1ccccc1F 814789461 JBUGLKLEPOYMCJ-UHFFFAOYSA-N 260.287 3.995 30 20 CHED CC(C)C(C)(C)NC(=O)Nc1ccc(C#N)cc1Cl 566597216 QXKNAUVKSPNINM-UHFFFAOYSA-N 279.771 3.768 30 20 CHED CN(CC(C)(C)C#N)C(=O)C=C1CCC(C)(C)CC1 817605334 RYRHIHOVGCURCA-UHFFFAOYSA-N 262.397 3.521 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1cccc(F)c1 815310656 GAINPJYXCFEZMS-SECBINFHSA-N 258.239 3.641 30 20 CHED CC(=NOC1CCC1)c1nc2ccc(Cl)cc2n1C 812236052 GGIAKSXJTRZSMC-UHFFFAOYSA-N 277.755 3.520 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(Cl)c1 567613363 BRLSZKZPBYUBIM-JHJVBQTASA-N 288.778 3.781 30 20 CHED N#CC1(CNC(=O)c2ccccc2Oc2ccccc2)CC1 564401665 NKRHLHBGTDRFNN-UHFFFAOYSA-N 292.338 3.512 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1csc(C)c1 819818581 NVNGPJCXYDKUNC-LLVKDONJSA-N 259.378 3.526 30 20 CHED C=CCC1(CNCc2ccnn2CC2CC2)CCCC1 657484699 DLQVMNUKLSTRCY-UHFFFAOYSA-N 273.424 3.519 30 20 CHED CC[C@H](C)[C@H](C=NNc1cc(Cl)nc(Cl)c1)OC 819828715 NNLWEARZNRRJDH-WPRPVWTQSA-N 290.194 3.847 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 819631942 HNXAVFXMBVNRAO-DVOMOZLQSA-N 270.376 3.622 30 20 CHED C=CCC(C)(C)CNCc1cc(F)c(OC)cc1OC 651817067 XEDMZLQHIXXGPQ-UHFFFAOYSA-N 281.371 3.535 30 20 CHED COc1cccc(O)c1/C=N/CCc1ccc(Cl)cc1 812390951 OWZGGMNYCKWDOM-WOJGMQOQSA-N 289.762 3.716 30 20 CHED C[C@@H]1[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)CCC[C@H]1C 576625814 LBHRVIOZPMYHDA-XLQHLMKVSA-N 268.404 3.960 30 20 CHED C=C(C)CN(CC)CCc1nsc2ccccc12 659830094 XWBAFXBOVLUXFT-UHFFFAOYSA-N 260.406 3.737 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCN(C2CCCCC2)CC1 483492439 UGSFPFKTZLOJOR-INIZCTEOSA-N 297.446 3.570 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](c2ccncc2)C1 816656739 BVISSBJJRBHSRE-MRXNPFEDSA-N 274.408 3.758 30 20 CHED CCOC1CC(=NNc2cc(Cl)ccc2Cl)C1 814862348 KSMMIRGFETUAHK-UHFFFAOYSA-N 273.163 3.960 30 20 CHED C#Cc1ccccc1Cc1nc(-c2cc(C)ccc2F)no1 810307790 JGYHVCUNPNVMBN-UHFFFAOYSA-N 292.313 3.756 30 20 CHED C=CCC[C@H](CC)NCC(=O)Nc1ccc(Cl)cc1 481402792 LCVPJECKHINKFK-ZDUSSCGKSA-N 280.799 3.613 30 20 CHED C=CCCCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 811011418 WDCVRIVFIJHURB-UHFFFAOYSA-N 291.347 3.772 30 20 CHED CCCCN(CCO[C@H](C)C#N)[C@H]1CCC[C@@H](C)C1 815196606 QNVAQQGLBVOGIF-OAGGEKHMSA-N 266.429 3.596 30 20 CHED C=CCC[C@@H](C)Nc1cnn(C)c1-c1ccccc1 573433860 FGYOWYNHSHXHIF-CYBMUJFWSA-N 255.365 3.854 30 20 CHED CC(C)c1ccc(CSc2ncncc2C#N)cc1 573241619 KCZAFSRYCDTUPN-UHFFFAOYSA-N 269.373 3.764 30 20 CHED N#CCn1c(C(=O)OCCC2CCCC2)cc2ccccc21 729899716 DNAJDCYBESXVCJ-UHFFFAOYSA-N 296.370 3.902 30 20 CHED CC(C)Oc1ccccc1CN1CCC(CCC#N)CC1 575985431 LHCPVEYSZDVUDG-UHFFFAOYSA-N 286.419 3.990 30 20 CHED CC(C)CC1(C)CCN(c2ccnc(C#N)c2)CC1 570478317 DJFHHKBPCDTISC-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C#C[C@@H](NC(=O)N1CC2(CCCC2)c2ccccc21)C(C)C 821566952 ARLZEFFQHCFDRO-MRXNPFEDSA-N 296.414 3.686 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)Cc2cccs2)C1 660327883 FMHPSQRJAQADFL-ZIAGYGMSSA-N 292.448 3.677 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H](CC)CC(F)(F)F 828891285 LRXMRACPUYIRSV-LLVKDONJSA-N 299.292 3.616 30 20 CHED C=CCCOC(=O)/C=C/c1ccccc1O[C@H](C)CC 729888698 DYTTUAAPZUELDL-GCZGRYASSA-N 274.360 3.996 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C/C1CCCC1 493675002 QFWITGJQYZJFFC-CMDGGOBGSA-N 254.333 3.552 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C/C1CCCC1 493645178 OPGOQECAMWDSAI-NHAQELONSA-N 284.359 3.662 30 20 CHED CC(C)Cc1ccc(/C=C\C(=O)c2ccnn2C)cc1 588594772 ACWWTSGAEAEUOW-HJWRWDBZSA-N 268.360 3.515 30 20 CHED C=CCCNC(=O)N1CCC[C@@]1(C)Cc1cccc(F)c1 665941416 XQPYETXIQHNNIO-KRWDZBQOSA-N 290.382 3.508 30 20 CHED C=CCNC(=S)N[C@@H](C)c1ccc(SCC)cc1 728793266 VUVWUWWMYLWBJW-NSHDSACASA-N 280.462 3.510 30 20 CHED C=C(C)CCNc1cccc(C(=O)OC)c1OC(C)C 580977796 INRJDFZLSHCJHD-UHFFFAOYSA-N 277.364 3.639 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1c(C)oc(C)c1C 585698766 SZYZDOUAUYLRRA-UHFFFAOYSA-N 290.407 3.997 30 20 CHED C#C[C@@H](NCc1ncc(CC)s1)c1ccc(Cl)cc1 491628457 KRKGWXLBZGZYMC-CQSZACIVSA-N 290.819 3.823 30 20 CHED C=CCCC[C@@H](NCc1ccc(C2CCC2)cc1)C(=O)O 900068297 DOSHMWPAIQRJJU-QGZVFWFLSA-N 287.403 3.853 30 20 CHED O=C(C#Cc1cccs1)N1CCC(c2ccccc2)CC1 824242843 UQCLNYXSCGNQIH-UHFFFAOYSA-N 295.407 3.506 30 20 CHED CC[C@H](N[C@@H](C)c1nnc(C)s1)c1cccc(C#N)c1 902951371 OKSQHAWEWCPAGI-HZMBPMFUSA-N 286.404 3.520 30 20 CHED C#CCN(CC)C(=O)N[C@H](C)c1csc2ccccc12 730068438 MNJCBRQLFWVXBI-GFCCVEGCSA-N 286.400 3.627 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCCCCC#N 588302915 RWKVXTJMWZTRTQ-UHFFFAOYSA-N 288.366 3.814 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1ccc(C)cc1OC 664401988 XYUMQNYLPUVZKY-UHFFFAOYSA-N 290.407 3.548 30 20 CHED C=CCN(C(=O)Nc1cccc(-n2cccc2)c1)C(C)C 731541001 ULIGHAOXBLPCRB-UHFFFAOYSA-N 283.375 3.906 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1c(Cl)c(C)nn1C)C2=O 901464891 ONQIZQJQGAPCHZ-WQLSENKSSA-N 286.762 3.513 30 20 CHED CON=Cc1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 731805772 COXQZOMOOLVZEZ-UHFFFAOYSA-N 297.289 3.523 30 20 CHED N#CC1(COC(=O)/C=C\c2nc3ccccc3s2)CCC1 588478098 KFQPQNFLSSCCEH-SREVYHEPSA-N 298.367 3.547 30 20 CHED Cc1nc(C2CCC2)nn1CCCCC1(C#N)CCC1 902721591 CAYZVXNLMOAZTN-UHFFFAOYSA-N 272.396 3.718 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(Cl)c2F)C1 839051370 DJYKEHOMDKPZKH-ZJUUUORDSA-N 281.714 3.718 30 20 CHED CC/C(C)=C\C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 835103822 MXBFLUIHFZUKNB-ZWXCPPHNSA-N 297.383 3.738 30 20 CHED C=CC(C)(C)CCCNCc1cc(C(=O)O)c(CC)o1 902282111 STAPRYLPPGWPNT-UHFFFAOYSA-N 279.380 3.622 30 20 CHED C=CCCCOC(=O)c1c[nH]cc1-c1ccccc1 735529640 GUTKCYCSLBUSQA-UHFFFAOYSA-N 255.317 3.805 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)OC1CCCC1 830750129 FZGHAEQPAVOOJD-DLBZAZTESA-N 298.386 3.837 30 20 CHED Cc1ncsc1/C=C\C(=O)O[C@H](C)c1ccc(C#N)cc1 588519362 UCPDEGWFZDZCGA-QDZRJHCZSA-N 298.367 3.641 30 20 CHED CS[C@H]1CCCC(=NNc2ccc3[nH]ncc3c2)C1 901214574 AWBHTLPOWIMTAV-ZDUSSCGKSA-N 274.393 3.636 30 20 CHED C=CCOc1cccc(CN2CC[C@@H](c3ccco3)C2)c1 678262313 LYVCKYNELROOCU-MRXNPFEDSA-N 283.371 3.834 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2nnc(C)s2)CCCC1 838283975 JUIYWJLEQZPBFP-JTQLQIEISA-N 280.393 3.587 30 20 CHED COc1cccc(/C=N\[C@@H]2CC[C@H](C)C[C@@H]2C)c1O 733080821 CGMRFXWSKTXSSV-UUMQHJJASA-N 261.365 3.644 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 836783884 BZKFDCUOVJKJGE-BXUZGUMPSA-N 297.320 3.884 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1 833309529 AEWKARJMDKIVLI-YVMONPNESA-N 288.249 3.559 30 20 CHED Cc1cncc(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)c1 588476544 KLCRCLKWAMPGBS-ARJAWSKDSA-N 297.745 3.587 30 20 CHED C=CCC1(NC(=O)/C=C\c2scnc2C)CCCCC1 836957762 XVAFIFPOJXAORC-FPLPWBNLSA-N 290.432 3.860 30 20 CHED CC(CCN(C)C)=NNc1nc(-c2ccccc2)cs1 915955088 ANDAZFZILXZOBW-UHFFFAOYSA-N 288.420 3.550 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(-c3ccccc3)on2)C1 839041888 CBDKBVMIWOHUOG-OCCSQVGLSA-N 296.326 3.581 30 20 CHED C#CCC(C)(C)COC(=O)[C@H](CC)CC(F)(F)F 835280001 ORWCWUAJVPKVHH-SNVBAGLBSA-N 264.287 3.558 30 20 CHED CCC(=NNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 916250378 XYCHDXGAWFWJHY-UHFFFAOYSA-N 287.294 3.960 30 20 CHED CC1CCC(C)(NC(=O)/C=C\c2ccccc2C#N)CC1 749828961 SMNPMSRSDAXWPB-FPLPWBNLSA-N 282.387 3.656 30 20 CHED CCCC(=NNc1cncc(Cl)n1)c1ccccc1 914559951 KOMIZSHMKHEULE-UHFFFAOYSA-N 274.755 3.746 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)CC2(C#N)CCCCC2)C1 596759977 RBLYLGIAVIKJDY-GJZGRUSLSA-N 276.424 3.888 30 20 CHED CCOc1ccc(C[C@@H](C)CNCc2ccc(C#N)o2)cc1 590781215 LDIDNVBASXQPJI-CQSZACIVSA-N 298.386 3.518 30 20 CHED C=CCC[C@@H](NC[C@@H](C)C(=O)OC(C)(C)C)c1ccco1 594508378 BNMKSYMNXAICAG-ZIAGYGMSSA-N 293.407 3.854 30 20 CHED COc1cccc([C@@H](C)Nc2snc(Cl)c2C#N)c1 917091080 IINRZRTYHSLNFS-MRVPVSSYSA-N 293.779 3.850 30 20 CHED C=C(C)COC(=O)[C@@H](C)CCc1cccc(F)c1 744040528 QFMLUOVZQCNJHQ-LBPRGKRZSA-N 250.313 3.514 30 20 CHED CC1=C(C)C[C@@H](C(=O)Oc2ccc(C#N)cc2F)CC1 843567267 LZTOARYIVDLNEN-ZDUSSCGKSA-N 273.307 3.739 30 20 CHED CCCCCCCCCCC(=O)Nc1ccc(=O)n(C)c1 918368987 CUIYEGGDUXKRAX-UHFFFAOYSA-N 292.423 3.855 30 20 CHED C=C(Cl)COC(=O)c1c(-c2ccc(F)cc2)noc1C 914925083 VQFPQUOSANNHPF-UHFFFAOYSA-N 295.697 3.698 30 20 CHED Cc1cc(C)nc(NC(=O)c2ccccc2SCC#N)c1 746945774 VIZOOMSDKGFCRE-UHFFFAOYSA-N 297.383 3.566 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1)c1cc(O)ccc1O 747692768 JUAXUUCMYRPDDU-ZPUQHVIOSA-N 284.286 3.689 30 20 CHED CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1 590778418 AXRLWIQOPBDHAB-MSOLQXFVSA-N 277.371 3.681 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 918685492 CMCSVMQNRXABNJ-UHFFFAOYSA-N 295.383 3.746 30 20 CHED C=CCOc1ccc(CN2CCCOC[C@H]2C)cc1Cl 678273079 JFRDYFJYVJFAIA-CYBMUJFWSA-N 295.810 3.516 30 20 CHED CC(C)c1cccc(C[S@](=O)CCC(C)(C)C#N)c1 596040141 PDVNWFOMRDDMOK-LJQANCHMSA-N 277.433 3.999 30 20 CHED C(=NNCCCc1ccccc1)c1ccc2ccccc2n1 741464371 OVLVRCARQWZQLX-UHFFFAOYSA-N 289.382 3.791 30 20 CHED C=C(Br)CN1CCC[C@@H]1Cc1ccc(F)cc1 919648827 VPIFZVACFAFTKY-CQSZACIVSA-N 298.199 3.741 30 20 CHED C=CCN(C(=O)Cc1ccc(CC(C)C)cc1)C(C)C 915153501 OBDVTHYYDVGQLL-UHFFFAOYSA-N 273.420 3.851 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1c(C)[nH]c2ccccc12 915986843 GGQZVGWDECGWGR-HJWRWDBZSA-N 279.343 3.712 30 20 CHED C[C@@H]1CC=C(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 590862373 PZUQJQDZFFOHFW-LLVKDONJSA-N 288.778 3.574 30 20 CHED Fc1cccc(NN=Cc2c[nH]c3ccc(F)cc23)c1 747049008 BHDJQCHKBIVHSY-UHFFFAOYSA-N 271.270 3.892 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccc(C)cc1C 915980760 CEWUEAZQFNSECB-WOJGMQOQSA-N 269.344 3.637 30 20 CHED Cc1cc(C(=O)OCCC2(C#N)CCCCC2)c(C)[nH]1 840202502 BVKIBRAOJJWUOH-UHFFFAOYSA-N 274.364 3.653 30 20 CHED Cc1cccc2cc(C(=O)OCc3ccccc3C#N)oc12 747264993 WXUINLKNWWMJRM-UHFFFAOYSA-N 291.306 3.970 30 20 CHED Cc1cc(/C=C2\CCc3c(O)cccc3C2=O)cc(C)c1O 742435813 ZBAZXNGXWADILX-GXDHUFHOSA-N 294.350 3.927 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@@H]1CCC[C@H](C)C1 749784899 CGYSMVVMZHZJKR-QWHCGFSZSA-N 287.359 3.689 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1ccc(Cl)cc1 741763724 DSTKPKRNNQOAIX-UHFFFAOYSA-N 295.173 3.928 30 20 CHED N#Cc1ccc(CCN2CC[C@H]2c2ccc(F)cc2)cc1 595702171 HGSRUELNVLTRIS-SFHVURJKSA-N 280.346 3.687 30 20 CHED C=CC[C@H](NC(=O)N1C[C@H](C)C[C@H]1CC)c1ccncc1 745829389 ZCUSDBFVURWINU-BMFZPTHFSA-N 287.407 3.529 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSCCC#N 840214789 YKEUYFICGIMHMS-MCIONIFRSA-N 283.437 3.637 30 20 CHED C=CCC1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCCC1 590879678 CMYFPBTYBNIIGH-GOSISDBHSA-N 286.419 3.713 30 20 CHED C[C@]1(C(=O)OC2(CC#N)CCC2)C[C@@H]1c1ccccc1 842352319 ICHOKFYZOZZJHE-ZBFHGGJFSA-N 269.344 3.560 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1 842678001 QKKONGSAQRPLDV-QJPTWQEYSA-N 276.405 3.700 30 20 CHED Cc1cc(C#N)ccc1NC[C@H]1CCOC2(CCC2)C1 846756650 YMZXIZIIGMMTHZ-HNNXBMFYSA-N 270.376 3.628 30 20 CHED N#Cc1ccc(CNc2ccc(OCC(F)F)cc2)s1 749110732 OYVDVIPDULZALD-UHFFFAOYSA-N 294.326 3.876 30 20 CHED CC(C)c1ccc(C=NOCC2(C#N)CCC2)cc1 842018028 LXZOXXCBWYXMCA-UHFFFAOYSA-N 256.349 3.854 30 20 CHED Cc1ccc(C(=O)OCCCSCC#N)c2ccccc12 840627483 PVWRKUCDPOLZIK-UHFFFAOYSA-N 299.395 3.952 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@H]2CCCC[C@H]2C)n1 920788485 CZQZJLYWIKRVTP-RAIGVLPGSA-N 276.405 3.844 30 20 CHED FC(F)Oc1ccc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 755683881 UKWAQRIGNCQLSK-SRVKXCTJSA-N 278.302 3.898 30 20 CHED C=CCC[C@H](C)NCc1cccc(O[C@@H](C#N)CC)c1 756709303 KQJYUZUIFTVAJN-GOEBONIOSA-N 272.392 3.812 30 20 CHED C#CCCCC(=O)OCC(=O)c1ccc([C@@H](C)CC)cc1 759191741 MGGRJVNPUNUVAX-AWEZNQCLSA-N 286.371 3.730 30 20 CHED C#CCCN[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 754486546 VWEVICDKKSUPRO-RYUDHWBXSA-N 269.310 3.810 30 20 CHED Cc1cc2occ(CC(=O)OCCCCC#N)c2cc1C 754765156 MSFQYVZZZZWDMO-UHFFFAOYSA-N 285.343 3.829 30 20 CHED C(=NNCCCOc1ccccc1)[C@H]1CCc2ccccc21 755696443 NOPSBIAHMMLXJK-QGZVFWFLSA-N 294.398 3.761 30 20 CHED CCCCCCCCC(=O)NC[C@@H](O)c1cccc(F)c1 921081780 PBENKWLAGUHYMR-MRXNPFEDSA-N 295.398 3.726 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2cc(F)ccc2C)[C@H]1C 853393672 PAAJXVMWTBVJGS-NWDGAFQWSA-N 292.354 3.511 30 20 CHED CO[C@H](CNc1nc2ccccc2cc1C#N)C(C)(C)C 750030203 QIPSHCFOIJKYDH-OAHLLOKOSA-N 283.375 3.579 30 20 CHED C=C[C@@H](CC(=O)OCC(=C)Br)c1ccccc1 758919742 HWBMWZFWZOIKCL-LBPRGKRZSA-N 295.176 3.798 30 20 CHED CC(C)=C(C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 751362277 ATKTVAIBDQZHJI-UHFFFAOYSA-N 284.403 3.899 30 20 CHED C#CCCSc1nc2c(c(-c3ccco3)c1C#N)CCC2 751756095 NDTWOHQQTNYYOV-UHFFFAOYSA-N 294.379 3.817 30 20 CHED C/C(=C/C(=O)O[C@H](C#N)C(C)(C)C)c1cccs1 857017156 CLQDXJROOYRHQS-VPUINMBXSA-N 263.362 3.633 30 20 CHED Cc1oc(-c2cccs2)nc1CON=CC1CC1 853735462 VBCZSWDZHYTZIM-UHFFFAOYSA-N 262.334 3.624 30 20 CHED CN(CCCCC1(C#N)CCC1)Cc1cccc(C#N)c1 929162540 PGCWEQNQOCLIQO-UHFFFAOYSA-N 281.403 3.854 30 20 CHED CN(C(=O)C#CC1CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 854952960 PUSWDWHDUMAHMW-QZTJIDSGSA-N 281.399 3.585 30 20 CHED C[C@@H](CC(=O)OCc1cc(F)ccc1C#N)c1ccco1 859814156 RTNMALSMHYGVCQ-NSHDSACASA-N 287.290 3.527 30 20 CHED CCC(C#N)(CC)c1nc([C@H]2CCOc3ccccc32)no1 858689692 HZRHMQYDATZDRU-ZDUSSCGKSA-N 297.358 3.565 30 20 CHED CCCC[C@H](C(=O)NCc1cc(C#N)ccc1F)C(C)C 857137284 BGHCTSRAOPXJIR-HNNXBMFYSA-N 290.382 3.776 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cc(F)ccc1F 757474885 MJSDYPBLVQRHLZ-RJRFIUFISA-N 296.219 3.845 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(C)c(O)nc2ccccc12 935249393 CCUASJNFFDAMDE-LBPRGKRZSA-N 298.386 3.723 30 20 CHED CCc1ccc(COc2cccc(OCC#N)c2)cc1 864047904 PRDZWZGJBFSGLT-UHFFFAOYSA-N 267.328 3.730 30 20 CHED C#CC[C@H](NCc1cc(C)cc(C)n1)c1ccccc1 930217532 NSTCUZYSOXEXNU-SFHVURJKSA-N 264.372 3.553 30 20 CHED Cc1ccc2c(C)cc(NN=CC[C@H]3CCOC3)nc2c1C 765570054 PZYQSGGJCIVTSS-HNNXBMFYSA-N 297.402 3.984 30 20 CHED CCCCc1ccc(CC(=O)OCC2(C#N)CCC2)cc1 768094881 ISILAQLFMLPASW-UHFFFAOYSA-N 285.387 3.809 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(n2c(C)ccc2C)CC1 931225778 MMNPOMXUKFSOJE-MRXNPFEDSA-N 288.435 3.871 30 20 CHED N#Cc1cccc(COC(=O)c2ccc(Cl)c(F)c2)c1 765938017 LQXVDQVKYAILST-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CC(C)c1ncc(/C=C2/CCc3scnc3C2=O)s1 863196273 DACIJPGPXOGZRY-UITAMQMPSA-N 290.413 3.936 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cccc(OC(C)C)c1 860196855 LFQKXONMZQALGC-UHFFFAOYSA-N 289.375 3.847 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)Cc1ccsc1 860869902 LKMHJKWGVHEHLM-NSHDSACASA-N 265.378 3.552 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)OCc1cccc(C#N)c1F 769179455 UQQOQOGUPWKDOK-NEPJUHHUSA-N 275.323 3.567 30 20 CHED N#C[C@H]1CCCC(=NNc2nc3ccccc3[nH]c2=S)C1 863125254 QUEBBHMJWNOZQX-JTQLQIEISA-N 297.387 3.774 30 20 CHED N#CC1(OC(=O)c2ccc(OC3CCCC3)cc2)CCC1 762091316 JRINHXUURCVOLW-UHFFFAOYSA-N 285.343 3.611 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@H](C)C(C)(C)C)cc1 768542038 DIDAGGZZTCFBGQ-UONOGXRCSA-N 274.408 3.844 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](C)c1cccc(Cl)c1 761405556 FKDZBAGOBZTFIL-NSHDSACASA-N 280.751 3.522 30 20 CHED C=CCCC(=O)Oc1ccc(Br)c(C)c1 766557551 QFXCMXNEPWHWFL-UHFFFAOYSA-N 269.138 3.629 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(C#N)s1 762446744 DOOAPOXKJREGDR-NSHDSACASA-N 269.373 3.695 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccc(C(=O)O)cc2)C1 768352563 OQIAPVPFVXIKJI-VXGBXAGGSA-N 260.337 3.609 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1ncccc1[N+](=O)[O-] 769585422 OHLOZJFEGXIZQW-QWRGUYRKSA-N 276.340 3.604 30 20 CHED CCOc1ccc(C=Nc2cc(F)ccc2OC)c(O)c1 768267637 BRAQRVZNJVYWIT-UHFFFAOYSA-N 289.306 3.689 30 20 CHED C=CC[C@@H](C(=O)OCc1cnoc1C1CC1)c1ccccc1 778426898 JJFGBXIHQQYVTK-MRXNPFEDSA-N 297.354 3.955 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C#N)cc1F)C2 772806225 KWLLPZKBFRGXEK-ZSOIEALJSA-N 293.297 3.528 30 20 CHED N#C[C@@H](OC(=O)c1cccc(Cl)c1N)C1CCCCC1 776370084 YJGZVOGUJRRSAI-CYBMUJFWSA-N 292.766 3.551 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCCC(C)(C)C#N 776396114 OTCFTPFQUXXHOW-VXGBXAGGSA-N 277.389 3.643 30 20 CHED COc1cc(CNc2cccc(CC#N)c2)ccc1F 1560475692 JXHXLVKFDLMRIQ-UHFFFAOYSA-N 270.307 3.512 30 20 CHED CCC(CC)CC(=O)O[C@H](C#N)C1CCCCC1 776397553 OXVVWSQNTGJCSW-CQSZACIVSA-N 251.370 3.828 30 20 CHED C=CCCCC[C@H](C)NCc1ccccc1C(=O)O 874044309 LIXZGBUSISFAAI-ZDUSSCGKSA-N 261.365 3.609 30 20 CHED CC(C)CNN=Cc1cc(Cl)ccc1Br 771566777 IZFRVDRTKJYTHX-UHFFFAOYSA-N 289.604 3.682 30 20 CHED C#CCOc1ccc(CNc2ccc3ncccc3c2)cc1 770513029 AHPDCFNGFNWAIX-UHFFFAOYSA-N 288.350 3.859 30 20 CHED N#CCOc1cc(F)ccc1NCc1ccc(Cl)o1 779604913 JWIMQFNDUINVKQ-UHFFFAOYSA-N 280.686 3.587 30 20 CHED C#CC[C@@H](N[C@@H](C)c1ccc(F)cn1)c1ccccc1 773114382 IZGFHHURPHFSFX-SUMWQHHRSA-N 268.335 3.636 30 20 CHED CC(C)n1cccc1C(=O)O[C@H](C#N)C1CCCCC1 776397845 XGWJRAQYIINLFX-OAHLLOKOSA-N 274.364 3.698 30 20 CHED C#CCCCCCC(=O)Nc1c(C(C)C)nc2ccccn12 887074701 FETBSPXCGVTRDG-UHFFFAOYSA-N 297.402 3.980 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(C#N)c(F)cc1F 880714106 HRJNNMZEIZURDW-GXSJLCMTSA-N 293.317 3.631 30 20 CHED CCCCCCCC[C@H](C)CC(=O)NC1(C#N)CC1 775493055 UZMPWOGRRZIRJS-AWEZNQCLSA-N 264.413 3.936 30 20 CHED C[C@@H](OC(=O)C#Cc1ccccc1)c1c(F)cccc1F 773459523 FATCOOKDMIRAFA-GFCCVEGCSA-N 286.277 3.621 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)C2CC(c3ccc(F)cc3)C2)C1 1122650051 OHDSBXXGBUXNHA-MEDBZGDMSA-N 287.334 3.555 30 20 CHED C=CC(C)(C)CC(=O)N1CCS[C@H](c2ccccc2)C1 880538956 PLPTXGJUZQVUKK-HNNXBMFYSA-N 289.444 3.905 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1cc(C)cc(C)c1 782437896 CTTQTRZBUJZEBI-KRWDZBQOSA-N 276.376 3.575 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N(CC)CCC#N 780444818 VYUHRZXIVIGRAF-OAHLLOKOSA-N 252.402 3.745 30 20 CHED CC1(C)CCC1=NNC(=S)Nc1cccc(Cl)c1 788968164 UFERYNCCNSGPDA-UHFFFAOYSA-N 281.812 3.802 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1C 1120733255 JSROXSMBWVBNPE-AWEZNQCLSA-N 289.423 3.517 30 20 CHED CCOc1cccc(/C=N\C[C@H](SC)C(C)(C)C)c1O 783682555 XKXKJEHCSWFQPC-XGHPXPSOSA-N 295.448 3.988 30 20 CHED C=CCN(C(=O)Nc1cc(-c2ccoc2C)on1)C(C)C 786217646 WQROJCXOZWYDCB-UHFFFAOYSA-N 289.335 3.671 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2ccon2)c1 887103337 VDSNHRMRDNEWBU-UHFFFAOYSA-N 270.332 3.882 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2Cc3ccccc32)c(Cl)c1 784229144 CCAKHAGXRGEXPE-HNNXBMFYSA-N 297.741 3.595 30 20 CHED C=CCC[C@@H](CC)Nc1cccc([S@](C)(=O)=NC)c1 895736763 SKRVKUIIHCIPRP-YJYMSZOUSA-N 280.437 3.930 30 20 CHED CC1(C)CCC(=NNc2nncc3ccccc23)C1 783793537 VQOCEZNJABWJOP-UHFFFAOYSA-N 254.337 3.608 30 20 CHED CCC[C@H](C)C(CC)=NN[C@H]1CCOC(C)(C)C1 780253599 WVZMUTZTQHAPQY-STQMWFEESA-N 254.418 3.736 30 20 CHED Cc1cc(/C=C\C(=O)c2ccnc(Cl)c2)cnc1Cl 782193720 HJVXQILXLPUEKA-IHWYPQMZSA-N 293.153 3.988 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cn3cc(C)ccc3n1)C2=O 789127046 HWSDVVOHPOIOBO-DHDCSXOGSA-N 288.350 3.774 30 20 CHED C#CCSc1nnc(Nc2ccc(C)c(C)c2)s1 787021707 AVEOHPUZEYJJPS-UHFFFAOYSA-N 275.402 3.624 30 20 CHED C=CC[C@@H](NCc1cccc2c1NCCC2)c1ccncc1 894272502 CKHASFWIGQSOKC-GOSISDBHSA-N 293.414 3.847 30 20 CHED Cc1nc2sccn2c1C=NOCC1CCCCC1 781613778 DNOOUEIVHQNXEM-UHFFFAOYSA-N 277.393 3.635 30 20 CHED C=C1CCC(C(=O)N2CC(C3CCCCC3)C2)CC1 897856382 BQFBEQXSGOTTJI-UHFFFAOYSA-N 261.409 3.772 30 20 CHED CC(=O)Nc1ccc(SCCC(C)(C)C#N)cc1 87324183 OYNHICXGHHKGNZ-UHFFFAOYSA-N 262.378 3.677 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H]1CCc2c(Cl)cccc21 797002662 QDGKCNBDVFJKEB-HIFRSBDPSA-N 277.751 3.810 30 20 CHED CCO[C@@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 721157341 FLENSPWPGSKEFN-HZPDHXFCSA-N 258.365 3.512 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 791205306 SKRUVHPRLNPAIJ-CZUORRHYSA-N 291.822 3.827 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)CCc1ccco1 546656517 QPRJHCXWWHLDIT-LBPRGKRZSA-N 270.332 3.593 30 20 CHED Clc1ccc2c(c1)C(=NNc1cncnc1)CCCC2 794979317 XDOYQUVOWDQMCI-UHFFFAOYSA-N 286.766 3.673 30 20 CHED CC(C)CCOC(=O)C[C@@H](CC#N)c1ccccc1 795981781 NYNHJZSMMPJVGW-OAHLLOKOSA-N 259.349 3.663 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)c(Cl)c1 191659678 MKNROXQDUORIOO-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCCCCN(CCC#N)Cc1ccccn1 193371862 KUHAXINPHNOCNM-UHFFFAOYSA-N 257.381 3.544 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC)c(C2CC2)c1 798550995 KHEARXQBBZVUFA-CQSZACIVSA-N 273.376 3.657 30 20 CHED COc1cccc(C)c1NCc1cc(C#N)ccc1F 194567184 VOLLTSUUMXPLQH-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)c1cccc2ccccc12 593388100 AKHAVWMCPBDTJF-STQMWFEESA-N 266.344 3.567 30 20 CHED Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1C#N 799299231 AOBJYOHCBZGBLZ-LBPRGKRZSA-N 296.395 3.688 30 20 CHED Oc1cccc(/C=N/C[C@@H]2CCCCC(F)(F)C2)c1O 793656441 SVQXNOXUOWYMJK-VDCVXVNISA-N 283.318 3.732 30 20 CHED COc1ccccc1/C=C\C(=O)c1cc(C)c(C)o1 799896984 MJPYYCOULFJYIL-HJWRWDBZSA-N 256.301 3.801 30 20 CHED C=CCN(Cc1c(Cl)cccc1C(=O)OC)C(C)C 795868627 QMRPLAABXFBWIS-UHFFFAOYSA-N 281.783 3.523 30 20 CHED C=CCCC(C)(C)NCc1ncc(Br)s1 657804926 HMANGEHLZBHTKE-UHFFFAOYSA-N 289.242 3.740 30 20 CHED C#CCCNc1ccc(F)cc1OCCC(F)(F)F 799975291 MINMETSONUZGGM-UHFFFAOYSA-N 275.245 3.592 30 20 CHED CC(Cc1cccc(C(F)(F)F)c1)=NN=c1cc[nH]cc1 799113725 UICQQVYBUFLOPT-UHFFFAOYSA-N 293.292 3.553 30 20 CHED C#CCCCCCC(=O)Nc1cc(C#N)ccc1NCC 797158442 CHXCMYNXJDBXRX-UHFFFAOYSA-N 283.375 3.512 30 20 CHED C#CCCN[C@H](c1ccccc1)c1ccc(F)cc1 70245576 IPCRVVAGXWUVTD-QGZVFWFLSA-N 253.320 3.528 30 20 CHED C#CC1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 692294755 ZHASBBGBIARSHI-UHFFFAOYSA-N 297.185 3.871 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccccc1Br 695862771 GSWLVZYYHIUAEX-LLVKDONJSA-N 295.224 3.867 30 20 CHED CCCCCCCN1CC[C@H](C)[C@H](n2ccnc2)C1 767435626 UNOXFPGBIKPXLB-JKSUJKDBSA-N 263.429 3.736 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1nc2c(cc1C#N)CCC2 88298494 LIDOJPAAWHJUNY-NEPJUHHUSA-N 257.381 3.679 30 20 CHED CCC[C@@H](CC)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1144858101 RZBVZRPQEHZLQB-LLVKDONJSA-N 284.363 3.508 30 20 CHED C=C(CC)CN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 773452636 HBSHGFQCMYIONR-DLBZAZTESA-N 277.383 3.680 30 20 CHED Cc1cccc(OCCc2ccc(C#N)cc2)c1F 1307330622 YHZDPDFVDUSQGA-UHFFFAOYSA-N 255.292 3.627 30 20 CHED CC(C)=CCC/C(C)=C\C=NNc1nncc(N)c1Cl 1319377847 VYRLOHBQUJFAQD-QBQHGUDFSA-N 293.802 3.803 30 20 CHED CN(Cc1cccc(C#N)c1)[C@@H]1CCc2c(F)cccc21 1319390579 CMDJCHGQEXGHLV-GOSISDBHSA-N 280.346 3.817 30 20 CHED CCc1nc(C#N)cc(N2CCCC[C@H]2CCC(C)C)n1 1162812806 RVCKXHBCSVXONY-HNNXBMFYSA-N 286.423 3.706 30 20 CHED O=C(CC#Cc1ccccc1)OCc1cc2ccccc2o1 1319320833 OHFWTIDJXNEQEN-UHFFFAOYSA-N 290.318 3.918 30 20 CHED N#CCOc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)cc1 1318799586 SJSYDRPBBPEYBH-IRXDYDNUSA-N 284.403 3.601 30 20 CHED N#Cc1ccc(NC2CCN(c3cccc(F)c3)CC2)cc1 1328983150 BEUYKTHXKZSOOQ-UHFFFAOYSA-N 295.361 3.778 30 20 CHED CC[C@H](Cc1nnc(COc2ccccc2C#N)o1)C(C)C 1322342131 YOLZYBHRELKJOE-CYBMUJFWSA-N 299.374 3.745 30 20 CHED CCc1cnccc1C(C)=NNc1ccc(C(C)(C)C)nn1 1323197380 PKBVIURKXGMYMM-UHFFFAOYSA-N 297.406 3.568 30 20 CHED Cc1ccc(NC(=O)Nc2ccc(OCC#N)cc2)c(C)c1 1322812941 MIGDVGIMLXRTNJ-UHFFFAOYSA-N 295.342 3.850 30 20 CHED CC(C)(NC(=O)c1ccc(CC#N)cc1)C1CCCCC1 1320249147 XEQNWTAVFRKGAX-UHFFFAOYSA-N 284.403 3.841 30 20 CHED O=C(CC#Cc1ccccc1)N1CCCC12CCCCC2 1320731814 QEQDSPXMZNKHBI-UHFFFAOYSA-N 281.399 3.754 30 20 CHED CC[C@@H](COC(=O)c1cccc(C#N)c1C)CC(F)F 1327065005 FRPIAFHMBSADDX-LLVKDONJSA-N 281.302 3.705 30 20 CHED C=CCn1cnnc1S[C@H]1CCCc2ccc(F)cc21 1253578825 CKYJQCBEWKUDNT-AWEZNQCLSA-N 289.379 3.773 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@H](C(F)(F)F)CC[C@@H]2C)n1 1339649433 PEEXQEDJKDKEAB-NWDGAFQWSA-N 297.324 3.737 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1254360252 XHBJSIUVFYKMLJ-HOTGVXAUSA-N 261.409 3.609 30 20 CHED C[C@H](CC(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1347125653 WXICFVVDTUSVMQ-OCCSQVGLSA-N 282.318 3.591 30 20 CHED C=C(C)Cn1c(N2CC[C@@](C)(CC)C2)nnc1C(C)(F)F 1343374014 PNZLJJUQRVQKSY-CQSZACIVSA-N 298.381 3.592 30 20 CHED CC(C)(C)C#CC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1348037160 BRYQWGRVMKTYSH-FXAWDEMLSA-N 295.426 3.964 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1cccc(C#N)c1 1264121785 YJSMRPWMDHVMLQ-UHFFFAOYSA-N 268.291 3.512 30 20 CHED CC(C)C#CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 1261667101 LIOLRLCRATWIHR-HNNXBMFYSA-N 275.779 3.663 30 20 CHED C=CCCOC(=O)c1csc(-c2cccs2)n1 103647946 TWCIRMMBIZRJFW-UHFFFAOYSA-N 265.359 3.605 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CC(C)(C)C#N)c1cccs1 1515590913 WJUHTGXSLPCWOK-BXUZGUMPSA-N 290.388 3.822 30 20 CHED COc1cc(C#N)ccc1CSCC(=O)c1ccccc1 1459149062 MUOOHWSESXFWIA-UHFFFAOYSA-N 297.379 3.683 30 20 CHED C=C[C@H](C(=O)N1CCC[C@@H](OC2CCC2)C1)c1ccccc1 1528592372 FJRQVQHDBSYVCQ-MSOLQXFVSA-N 299.414 3.516 30 20 CHED C[C@@H]1C[C@H](Nc2nccnc2C#N)C[C@H](c2ccccc2)C1 1458428933 BYURVLRCENGMQN-IMJJTQAJSA-N 292.386 3.733 30 20 CHED CCN(Cc1ccc2ccccc2c1)c1ccnc(C#N)n1 1458241398 GKZSQIFMTAJMRO-UHFFFAOYSA-N 288.354 3.528 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 225258150 DFGCXPRIHXWDMX-UHFFFAOYSA-N 281.702 3.929 30 20 CHED Cc1ccc(C(=O)Nc2cc3ccccc3cc2C#N)cn1 1528324285 ZOZDBTJUQKICDK-UHFFFAOYSA-N 287.322 3.667 30 20 CHED COc1cc(C#N)ccc1C(=O)Nc1c(C)cc(C)cc1C 1523517262 ZBKBCMCOZKBYSH-UHFFFAOYSA-N 294.354 3.744 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 1466836541 ANIZSNGSDFQVGY-WBMJQRKESA-N 285.391 3.909 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2cc(C#N)ccc2F)cc1 1534856652 CBRWGUPLCXSWQX-LBPRGKRZSA-N 283.302 3.924 30 20 CHED N#Cc1cccc([C@H](O)CN2CCC[C@@H]2C2CCCCC2)c1 1473112043 YGYHCNWVQMLXKC-RTBURBONSA-N 298.430 3.636 30 20 CHED C=C(Br)CN(CC(C)C)c1ccc(C#N)cc1 1559621399 UIMHEOPWHGQIFR-UHFFFAOYSA-N 293.208 3.929 30 20 CHED Cc1nnc(S[C@@H](C)c2ccccc2F)c(C#N)c1C 1559085759 YOWBMOOQYRMGOI-NSHDSACASA-N 287.363 3.958 30 20 CHED N#Cc1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1 121590414 OBEGGCHKRDFAOM-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC[C@@H](CNc1ncc(C#N)cc1F)c1ccccc1 1651459581 JPCVOWUBFCESHD-ZDUSSCGKSA-N 269.323 3.698 30 20 CHED Cc1ccc(C(C)(C)CN(C)Cc2cc(C#N)ccn2)cc1 1652583510 UJSZQEKKEFHYJS-UHFFFAOYSA-N 293.414 3.671 30 20 CHED COC(=O)[C@H](CC(C)(C)C)Sc1ccc(C#N)c(C)c1 1652912712 STWYHAXZNSGDNR-AWEZNQCLSA-N 291.416 3.937 30 20 CHED C=CC(C)(C)CC(=O)Nc1sc(C)c(C)c1C(=O)O 1588673404 WTCRGNOVECEKAH-UHFFFAOYSA-N 281.377 3.604 30 20 CHED C=CC[C@@H](C(=O)O)N1C[C@H](C(C)(C)C)Cc2ccccc21 1588728463 KDEUKLUXARTYCL-ZBFHGGJFSA-N 287.403 3.741 30 20 CHED CCCCCCCC(C)=NNc1ccc(C(=O)O)nc1 1776069045 NBMAUCJMORHLDH-UHFFFAOYSA-N 277.368 3.928 30 20 CHED C=CCC1(C=NNc2cccc(C(=O)O)c2)CCCC1 1776037642 SLKOGJYCPJAUMS-UHFFFAOYSA-N 272.348 3.919 30 20 CHED Cc1cccc(Cl)c1NN=C1CC[C@H](CC(=O)O)[C@H]1C 1776060689 JHYJYMWPYJCHJE-GHMZBOCLSA-N 294.782 3.937 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)c(F)c(F)c1 150834902 MCEFBBTVFGWTEB-UHFFFAOYSA-N 269.266 3.811 30 20 CHED C=CCN(C)C(=O)c1ccc(Oc2ccccc2)cc1 161565373 PKBURNQHSGBXIO-UHFFFAOYSA-N 267.328 3.737 30 20 CHED CSc1ccsc1C(=O)N[C@@H](C#N)C1CCCCC1 162283795 LUXJUJBMCJPDSD-NSHDSACASA-N 294.445 3.672 30 20 CHED CC1(C)CN(C[C@H](C#N)CCC#N)c2cccc(Cl)c21 163761197 OBBYIFRCOKMMTN-LBPRGKRZSA-N 287.794 3.881 30 20 CHED CC(C)(C)c1cccc(OC(=O)C2(C#N)CCCC2)c1 153036863 NHXACXAMMYGGJB-UHFFFAOYSA-N 271.360 3.973 30 20 CHED CC(C)[C@@H](NC(=O)CC#N)c1ccc(C(C)(C)C)cc1 153522331 PWRAXNQRJDHDRU-MRXNPFEDSA-N 272.392 3.711 30 20 CHED Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1F 153551368 ABPJUHQLBNVZQZ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@H](Cc1ccccc1F)Nc1cccc(OCC#N)c1 157061402 IPEXQCSHTKGBRP-CYBMUJFWSA-N 284.334 3.771 30 20 CHED CCCCCCCn1ccnc1[C@H](O)c1ccccc1 154794651 GONWYXVPSOYHLG-MRXNPFEDSA-N 272.392 3.935 30 20 CHED C#Cc1ccc(CNc2cccc3cccnc23)cc1 809607544 CTFAPPYBMFLOKL-UHFFFAOYSA-N 258.324 3.828 30 20 CHED CCC(C#N)(CC)C(=O)N(C)[C@H](C)C1CCCCC1 1128460083 KDKGENPLCIDJTJ-CYBMUJFWSA-N 264.413 3.744 30 20 CHED Cc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)o1 1161765112 BNWRMXAATOYAMT-UHFFFAOYSA-N 269.348 3.764 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)cnc1Cl 880768757 SJEPWQVPTYZMNS-UHFFFAOYSA-N 266.772 3.518 30 20 CHED Cc1nc2ccc(Nc3ccc(C#N)cn3)cc2s1 42847958 QFUZHNPTVFCIJS-UHFFFAOYSA-N 266.329 3.615 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCc1ccc(Cl)cc1Cl 264009369 AHIDLWXGEPAWDR-JTQLQIEISA-N 299.201 3.687 30 20 CHED Cc1cc(C)cc(CNc2ccc(C#N)cc2F)c1 165829667 BDRYOLHVPUHUJN-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2ccc(C#N)cc2)C1 174310470 DCEGAIHWTOAPNM-INIZCTEOSA-N 271.364 3.602 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCc1nccs1 63135501 YPJRFQHYHMGHCL-UHFFFAOYSA-N 297.305 3.688 30 20 CHED CC(C)(C)C1=CCN(c2ncc(C#N)cc2Cl)CC1 535332259 LDAQIEWSVLWDIB-UHFFFAOYSA-N 275.783 3.789 30 20 CHED C=C(CN[C@H](C)C1CCSCC1)c1ccccc1 474614301 PELGDRQSGDVJMI-CQSZACIVSA-N 261.434 3.821 30 20 CHED CCCCCCCCCC(=O)N(C)C[C@H]1CCC[C@@H]1O 689275617 MIOPVOGZDPTKGY-CVEARBPZSA-N 283.456 3.747 30 20 CHED C[C@H]1Cc2ncn(CCCCC(C)(C)C#N)c2C[C@@H]1C 380688344 DUIUXNIPCOBBND-KBPBESRZSA-N 273.424 3.974 30 20 CHED C=CCCCCCCN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 388513311 PDUMTNHDCVPKCW-BZUAXINKSA-N 265.441 3.916 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 720285233 VEMRKJXEHQKEQX-CQSZACIVSA-N 274.339 3.852 30 20 CHED CN(C)c1ccc(CNc2cccc(F)c2C#N)cc1F 58545573 AOZFCYGVDLJBNS-UHFFFAOYSA-N 287.313 3.515 30 20 CHED CCCC(CCC)S[C@H](C(N)=O)c1ccc(C#N)cc1 115187599 LIIJXTGZAZWJQT-HNNXBMFYSA-N 290.432 3.787 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(SC)o2)s1 112238618 PSIQOWALXCOSMY-UHFFFAOYSA-N 292.385 3.749 30 20 CHED CC[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C(C)C 105754163 JYJFVGZFNCDWQD-CHWSQXEVSA-N 283.375 3.811 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nnc(C(CC)CC)s1 104985393 VBWNSPXPIVOYJF-UHFFFAOYSA-N 296.440 3.872 30 20 CHED C#C[C@H](C)OC(=O)c1csc(-c2cccc(Cl)c2)n1 174455060 OUPCWQGHIBOOOE-VIFPVBQESA-N 291.759 3.642 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC[C@@H](C)c2ccccc21 69354092 TVEXREHKDKKPQM-KGLIPLIRSA-N 273.376 3.508 30 20 CHED C=CCCCC(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 178011238 UDEZLLNPRFBPOK-CYBMUJFWSA-N 292.448 3.898 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc3ccccc3o2)C1 116806428 AGQSCCBGWHZPFM-YVEFUNNKSA-N 282.343 3.635 30 20 CHED COc1ccc([C@@H](C)CCNCc2ccc(C#N)cc2)cc1 174507571 YQXVUCHKONZXNY-HNNXBMFYSA-N 294.398 3.850 30 20 CHED C=CCn1c(C)nn(CN(CCCCC)C(C)C)c1=S 116256515 FNSBKSQDVICRJN-UHFFFAOYSA-N 296.484 3.767 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)S[C@H](C)C(C)C 172965175 CCSVAJJKARUOEJ-OLZOCXBDSA-N 257.443 3.577 30 20 CHED Cc1ccc(OCCCNc2c(C#N)cccc2C#N)cc1 302899287 SFTDLPOVXUHYDD-UHFFFAOYSA-N 291.354 3.619 30 20 CHED C[C@H](Nc1ncccc1C#N)C(C)(C)c1ccccc1 301544376 DHSFLSRAGPUATP-ZDUSSCGKSA-N 265.360 3.731 30 20 CHED C/C=C(\C)C(=O)Nc1ccccc1S[C@H](C)CC#N 176036794 JNMOYODCGNWIGM-KBVBDRTLSA-N 274.389 3.986 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)N1CCC(C#N)CC1 115700993 UDJBRJIBVUKVMN-CQSZACIVSA-N 291.439 3.681 30 20 CHED N#Cc1ccc(N2CCC[C@@H](c3ccccc3)CC2)cn1 301501261 GHEIWGWPXAEGDW-MRXNPFEDSA-N 277.371 3.727 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCCCN1CC 303456873 GIKSPGRMUHFDHO-INIZCTEOSA-N 282.472 3.728 30 20 CHED C=C(C)COc1cccc(NC(=O)NC2CCCC2)c1 67015014 WXPYRPJRGPPDBV-UHFFFAOYSA-N 274.364 3.706 30 20 CHED Cc1cc(F)cc2c(N3CCC(C)(C)C3)c(C#N)cnc12 301472515 QFGFSLYBNRBVPG-UHFFFAOYSA-N 283.350 3.790 30 20 CHED N#Cc1ccc(NC[C@H](c2ccccc2)C(F)(F)F)nc1 302412997 IOEKHZPRSHSIMT-CYBMUJFWSA-N 291.276 3.711 30 20 CHED COc1ccsc1C(=O)/C=C/c1cccc(F)c1 184769915 FERSSCQFDYPGQK-AATRIKPKSA-N 262.305 3.792 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 125852389 SDQKJOFKXCQBQU-CZUORRHYSA-N 270.376 3.710 30 20 CHED COc1ccc(C)cc1NC(=O)/C=C\c1ccccc1C#N 213189038 PAYGCHBNAZYWGM-NTMALXAHSA-N 292.338 3.527 30 20 CHED CC(C)C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C#N)c1 302201368 SGSHAWHVFXPHDV-CQSZACIVSA-N 287.363 3.871 30 20 CHED C=CCOc1cccc(/C=C2/COc3ccccc3C2=O)c1 211831843 WXVADTPIKPMPFN-PTNGSMBKSA-N 292.334 3.910 30 20 CHED N#Cc1nc(N2CCC[C@@H]2Cc2ccccc2)ccc1Cl 301498224 CDJBWDGVSNSJCV-CQSZACIVSA-N 297.789 3.818 30 20 CHED C#CCCCNC(=O)Nc1ccc2oc(C)c(C)c2c1 186448162 JFPZZXMYORQDRV-UHFFFAOYSA-N 270.332 3.585 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CCCCC#N)C12CCCCC2 127408108 PVSAOOWIWVSRRF-HZPDHXFCSA-N 278.440 3.740 30 20 CHED Cc1cncc(CSc2nc(C)cc(C)c2C#N)c1 189769203 HDONVOZZLZKUND-UHFFFAOYSA-N 269.373 3.566 30 20 CHED N#Cc1ccc(NCc2csc(Br)c2)cc1 35250988 HCGJZUNIDFQWAG-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 70695222 LHEGLDMVVBPAIG-HNAYVOBHSA-N 292.382 3.520 30 20 CHED CC[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(F)c1 188181041 SFMPBQAOKTXOQG-GOSISDBHSA-N 298.361 3.969 30 20 CHED N#CCCCOc1cccc(NCc2ccccc2O)c1 37777410 JLJKUNSAQOSBSP-UHFFFAOYSA-N 282.343 3.687 30 20 CHED C=C[C@@H](CC(=O)NCCCCCSC)c1ccccc1 188106823 UDYATRBVDJXLKJ-HNNXBMFYSA-N 291.460 3.996 30 20 CHED Cc1csc(C(=O)NC2(C#N)CCCCC2)c1Cl 235959320 IXHFPHJSZHQNDF-UHFFFAOYSA-N 282.796 3.666 30 20 CHED C[C@H](NC(=O)CCC(C)(C)C)c1ccc(C#N)cc1 78058572 YTAOYVIASJJQPV-LBPRGKRZSA-N 258.365 3.562 30 20 CHED C#CCCCCNC(=O)c1ccc(Cl)cc1Cl 155806885 UOHPWNUHJDWDIR-UHFFFAOYSA-N 270.159 3.527 30 20 CHED CCSc1cccc(CNc2cc(C#N)ccn2)c1 488675426 NSNPJPVEZAWCQH-UHFFFAOYSA-N 269.373 3.677 30 20 CHED C[C@@H](C#N)N[C@H](CCc1ccccc1)c1ccccc1 128940057 BAVPHNIWUOYHFB-MAUKXSAKSA-N 264.372 3.862 30 20 CHED C=C(C)CCc1noc(COc2cccc(Cl)c2)n1 508645988 PYXUYZXEBPPRBZ-UHFFFAOYSA-N 278.739 3.811 30 20 CHED C[C@H]1CSCCN(CCC2(C#N)CCCCC2)C1 411638545 UUPLGDVGCCTSOE-CQSZACIVSA-N 266.454 3.535 30 20 CHED N#Cc1cccc(NCc2cccc(Cl)c2O)c1 158668900 MFFYDRVFLHVEMB-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C[C@@H](CN[C@H](C)c1cccc(C#N)c1)Oc1ccc(F)cc1 181829727 OTSSYDXEWDVYNS-UONOGXRCSA-N 298.361 3.815 30 20 CHED N#Cc1ccc(SCCC2(O)CCC2)c(Cl)c1 412999560 MLBUYFYAHBXTAE-UHFFFAOYSA-N 267.781 3.609 30 20 CHED CC#CCCCC(=O)OCc1ncc(-c2ccccc2)o1 185611989 JAGZMCJWPVPHTJ-UHFFFAOYSA-N 283.327 3.578 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccn(C2CCCC2)n1 315795513 GZADLDLJEXBROO-UHFFFAOYSA-N 294.402 3.502 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H](C)c1cccc(F)c1 131265425 DIGFZCMNDXNHIW-CYBMUJFWSA-N 297.329 3.853 30 20 CHED CC#CCCCC(=O)N(CC)c1ccc(F)c(F)c1 185267694 JDFKFNASGXEWKG-UHFFFAOYSA-N 265.303 3.511 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCc2c(F)ccc(F)c21 500813732 IIFJMWYXSHLYMX-IINYFYTJSA-N 251.320 3.896 30 20 CHED C[C@H](CCNC(=O)Cc1ccc(C#N)cc1)CC(C)(C)C 188866126 JUTFJBDWRFMIIJ-CQSZACIVSA-N 286.419 3.679 30 20 CHED C[C@H](NCC1(CCO)CCCCC1)c1ccc(C#N)cc1 181874426 FVSICHWUHXFXFE-HNNXBMFYSA-N 286.419 3.542 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@H](C#N)c2ccccc2F)C1 505928659 RNRZILBQOOYIFF-DVOMOZLQSA-N 288.366 3.723 30 20 CHED C=C(C)CN(CC)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 411195779 CEYYUTBKOPDHBC-WBVHZDCISA-N 257.377 3.605 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]1COC 221018075 YTXJKQBGQFCCSZ-HNNXBMFYSA-N 269.429 3.765 30 20 CHED C=CCC[C@H](N[C@@H]1CS[C@H](C)C1)c1ccco1 414221386 DFWZXMTZHBWWDY-AGIUHOORSA-N 251.395 3.771 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@@H](C)CC1 190925321 BHQLNTIRQJKTMM-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C#CCCCC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 192333804 NOMLAZBIQDQDIS-ZDUSSCGKSA-N 277.795 3.533 30 20 CHED C=CCCCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 192086441 OIFFXEQQUMHSNS-CABCVRRESA-N 283.774 3.865 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2c(F)cccc2F)c1 87240625 USVUPIWBAJZXNW-UHFFFAOYSA-N 299.320 3.542 30 20 CHED Cc1nsc(C)c1C(O)=Nc1cnc2c(c1)CCCC2 329014305 FTEIKIKJFCFRKX-UHFFFAOYSA-N 287.388 3.670 30 20 CHED N#Cc1ccc(CN[C@@H](Cc2ccccc2)C2CC2)cc1F 192164893 QCCJUENBVUOKIR-IBGZPJMESA-N 294.373 3.808 30 20 CHED C#CCN(Cc1nc(C)cs1)[C@@H]1CCc2ccccc21 81665706 RSRNBLKZYOGSIX-MRXNPFEDSA-N 282.412 3.574 30 20 CHED N#Cc1ccc(NC(=O)Nc2ccc3ncsc3c2)cc1 193730383 NGCXMTXMCDQTFP-UHFFFAOYSA-N 294.339 3.812 30 20 CHED CCOc1ccccc1NCc1ccc(OC)c(C#N)c1 87822276 MIZYHTBRNOVIIK-UHFFFAOYSA-N 282.343 3.578 30 20 CHED Cc1oc2ccccc2c1CN[C@@H]1CCC[C@@H](C#N)C1 193296736 BCBLOIPNZSWADB-ZIAGYGMSSA-N 268.360 3.913 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1coc(-c2cccs2)n1 134891639 QAKGGNKWSWMCHM-HNNXBMFYSA-N 290.388 3.622 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCOc2c(Cl)cccc21 424604557 HJGFPCGUGPEFLT-ZDUSSCGKSA-N 293.794 3.882 30 20 CHED C#Cc1cccc(NC(=O)N(CC)[C@@H](C)C(C)C)c1 49414389 RYUXBFPTAXOJEI-ZDUSSCGKSA-N 258.365 3.566 30 20 CHED Cc1ccc(C[C@H]2CCCN2CCC(C)(C)C#N)cc1 131598289 JBELHOMMRDMODV-QGZVFWFLSA-N 270.420 3.942 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/[C@H]2CCCc3sccc32)CC(O)=N1 329886745 WNQQRMQCCOVDBY-SCVCMEIPSA-N 292.404 3.837 30 20 CHED C=CCN(CCc1ccccc1)Cc1cnn(C(C)(C)C)c1 512054484 VYDSGHNVXFSNOK-UHFFFAOYSA-N 297.446 3.869 30 20 CHED CCCCS(=O)(=O)/N=C(\O)[C@@H](CCC)c1ccccc1 48552178 XANKAULAHMVEAM-AWEZNQCLSA-N 297.420 3.657 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCCC3(CC3)C2)n1 613705291 TVFPFIVMJSKZFM-UHFFFAOYSA-N 269.392 3.631 30 20 CHED CCO[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 42425032 HGPQLUGAVDMVGX-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 515873553 UZESUZYGOZXHOC-OFQRWUPVSA-N 287.378 3.777 30 20 CHED C=CC[C@H](CC)NC(=O)NC(C)(C)c1ccccc1OC 513356566 GJUVSVDQXWFFNY-ZDUSSCGKSA-N 290.407 3.584 30 20 CHED C=CCC1(c2nc(-c3ccc(C)c(C)n3)no2)CCC1 420510963 MILIFPHBJVULCJ-UHFFFAOYSA-N 269.348 3.746 30 20 CHED CC(C)(C)C[C@@H](Nc1cncc(C#N)n1)c1ccccc1 420602250 OGKAAHXYIPQDBY-OAHLLOKOSA-N 280.375 3.938 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(C(C)C)c(O)cc1C 88466901 LKIXBIPSIXYYHF-CYBMUJFWSA-N 291.391 3.744 30 20 CHED C[C@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)CS1 86934945 QVPWLPPLDLPRPG-GZMMTYOYSA-N 252.770 3.518 30 20 CHED C=CCCNC(C)(C)c1nc(C(F)(F)F)cs1 338569123 SVBMYZBMCXQSHX-UHFFFAOYSA-N 264.316 3.563 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@H](C3CCCC3)C2)c1 333836461 KGVBHWCSHAOVEA-INIZCTEOSA-N 297.402 3.911 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)cc1F 191973156 XVPNYJGHSWRVSW-KRWDZBQOSA-N 280.346 3.687 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)N(C)[C@@H](C)CC#N 86283501 YTWFZPWWDFRLAK-ZDUSSCGKSA-N 289.379 3.548 30 20 CHED CC[C@@H]1CC[C@H](C(O)=Nc2c(-c3ccccc3)n[nH]c2C)O1 330191734 XGUQETXIKAGPIX-ZIAGYGMSSA-N 299.374 3.931 30 20 CHED C[C@@H](c1noc(-c2ccc(C#N)s2)n1)C(C)(C)C 516692964 DEUGROWCZFISFQ-QMMMGPOBSA-N 261.350 3.819 30 20 CHED N#Cc1ccc(Oc2cccc(C(=O)NC3CCC3)c2)cc1 337327800 XWYHRZOLUADNKQ-UHFFFAOYSA-N 292.338 3.633 30 20 CHED C[C@H](CC#N)N(C)Cc1cnc(-c2ccsc2)s1 93090761 OOMYNBIPOLSWBU-SNVBAGLBSA-N 277.418 3.606 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1cc(C#N)ccc1OC 92224915 XKGQLJZIVZELPI-KRWDZBQOSA-N 295.386 3.545 30 20 CHED C=CCOc1ccc(CN2CCC3(CCC3)C2)cc1OC 93455911 YVJRFVALVDHLDF-UHFFFAOYSA-N 287.403 3.636 30 20 CHED C[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)CC12CCC2 334831634 LCEPUOQZHZIEMI-HNNXBMFYSA-N 296.414 3.530 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCCc1cc(C)sc1C 339174347 UMDIWSATUNCOMS-HNNXBMFYSA-N 292.448 3.838 30 20 CHED Cc1cscc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 335087380 VDFNVNLOGWELPL-GFCCVEGCSA-N 284.384 3.761 30 20 CHED CC(C)CCN(c1nc(C(F)(F)F)ccc1C#N)C1CC1 96609681 VSTWVCBBDDQJCR-UHFFFAOYSA-N 297.324 3.987 30 20 CHED C=CCN(CCC#N)Cc1cc2cc(C)c(C)cc2o1 430093037 DRPYBEHUYFVHSL-UHFFFAOYSA-N 268.360 3.951 30 20 CHED N#CC1(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)CCCC1 333736447 LTFOAPYTGVXVGJ-UHFFFAOYSA-N 296.370 3.618 30 20 CHED Cc1cnc(CN2CC=C(c3ccc(C#N)cc3)CC2)s1 334334573 YEEGZYBOWANFRS-UHFFFAOYSA-N 295.411 3.613 30 20 CHED N#CCCCN[C@H]1CCC[C@@H](c2ccccc2)CC1 527690107 FOPHEMBTGGNCHN-SJORKVTESA-N 256.393 3.996 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCCCC1CCCCC1 437601956 MCGRYHKJTSUDSG-QGZVFWFLSA-N 281.440 3.692 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)CC)ccc1O 436652716 QAXNOTCZFRRCNA-INIZCTEOSA-N 275.348 3.526 30 20 CHED N#Cc1cnccc1/C=C/C=C\c1ccc(F)cc1F 349113158 QNZQPSDYSZOESN-TZFCGSKZSA-N 268.266 3.958 30 20 CHED C[C@@H]1CCC[C@@H]1CNCc1cccc(OCCCC#N)c1 341481290 HTGPFUWOKWOPLS-NVXWUHKLSA-N 286.419 3.895 30 20 CHED C=CCOCCCN(C)Cc1cc(Cl)ccc1F 348195679 YDUIADSUCIUNQI-UHFFFAOYSA-N 271.763 3.504 30 20 CHED COc1ccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccco2)cc1 349403083 FQDZGIOCJWFADE-SIIHOXLZSA-N 296.370 3.659 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc2occc2c1 347589747 NZKQTWYNKFOXDK-UHFFFAOYSA-N 276.339 3.936 30 20 CHED Cc1cc([C@@H](C)Nc2nccc(C)c2C#N)ccc1F 343481278 UUFHLERYNSLMPR-GFCCVEGCSA-N 269.323 3.882 30 20 CHED COC(=O)c1ccc(Cl)c(/C=C\c2ccncc2C#N)c1 349106961 ISTXXEGWXIMIJL-IHWYPQMZSA-N 298.729 3.564 30 20 CHED CSCc1ccc(Nc2nc(C)ccc2C#N)cc1 342113547 PZSAMBZRPWRJQX-UHFFFAOYSA-N 269.373 3.868 30 20 CHED Cc1cc(COc2cc(F)cc(C#N)c2)c(C)s1 340788986 MRPBKBWAPDATCX-UHFFFAOYSA-N 261.321 3.955 30 20 CHED N#Cc1ccc(-c2ccc(CN3CCCC3)cc2)s1 527588309 QNMRLCFQTUVSHH-UHFFFAOYSA-N 268.385 3.883 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccc(Cl)nc1 255385597 RIUJWDHXBJTWMX-IWQZZHSRSA-N 279.673 3.909 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2cc(F)cc(F)c2)c1 347432760 OKYMZVPSFOVMRW-UHFFFAOYSA-N 286.281 3.651 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1 255044733 OVOWSNYPIIAPBB-XQRVVYSFSA-N 268.703 3.503 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@@H]1C 340733588 BMIPAKULCGEIBT-BLLLJJGKSA-N 288.366 3.738 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCCC1(C)C 432271457 PDWQESWLPOSVJI-HNNXBMFYSA-N 285.391 3.957 30 20 CHED C[C@H](CCC#N)CNCCc1ccc2ccccc2c1 602527234 IPMLCTJNKIACKN-OAHLLOKOSA-N 266.388 3.912 30 20 CHED Cc1nsc(N[C@H]2C[C@H]2c2ccc(Cl)cc2)c1C#N 343047820 YQNXQNGQUXGXCW-AAEUAGOBSA-N 289.791 3.945 30 20 CHED N#Cc1cccc(CCN[C@H]2CCSc3ccccc32)c1 343547968 JGWUPCLQYWGFAZ-KRWDZBQOSA-N 294.423 3.927 30 20 CHED C=CCC[C@@H](C)N[C@H](CCO)c1ccc(Cl)cc1 348246128 RRXSRYZSDVNTEP-IUODEOHRSA-N 267.800 3.708 30 20 CHED C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CC12CC2 527865830 GXQWVQQIRLHUTN-SWLSCSKDSA-N 293.332 3.835 30 20 CHED CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](C)C#N)c(C)c1 609843139 LTBLZEGOYGQJMA-NWDGAFQWSA-N 276.405 3.984 30 20 CHED CCN(CCC#N)C[C@H](C)c1cccc(Cl)c1 351518158 LJFJXYWRWRXIKV-LBPRGKRZSA-N 250.773 3.679 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 357663107 QQJBOWGTDUTCKR-LSDHHAIUSA-N 297.289 3.574 30 20 CHED C=C(CNCc1ccnn1C1CCCC1)c1ccccc1 449105590 ZCMOBUJSSQIFNL-UHFFFAOYSA-N 281.403 3.801 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CC=CC[C@H]1C 354084341 QNIMGYXSUNGEKU-OCCSQVGLSA-N 283.375 3.531 30 20 CHED C=C(C)[C@H](CC(=O)N(CC1CCCCC1)C1CC1)OCC 535124592 DDICNPMWJDKKQM-KRWDZBQOSA-N 293.451 3.929 30 20 CHED C=CCOc1ccc(CN(CC)CC2CCC2)cc1OC 355610114 RAQSBPFZRBAJOT-UHFFFAOYSA-N 289.419 3.882 30 20 CHED CC1(C#N)CCC(NCCc2c[nH]c3ccccc23)CC1 449065203 SKYFAKIVNAZOSO-UHFFFAOYSA-N 281.403 3.772 30 20 CHED C=CCCCC(=O)Nc1c(F)cc(C(C)=O)c(F)c1F 359390458 GQOPLFNHCXVESF-UHFFFAOYSA-N 285.265 3.601 30 20 CHED CN(CCCC(C)(C)C#N)C[C@@H]1OCCc2ccccc21 266892684 FLNWLKWOXBEOKK-KRWDZBQOSA-N 286.419 3.562 30 20 CHED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CC#N 356740468 QAOWCOIDQDOQEL-CQSZACIVSA-N 278.355 3.787 30 20 CHED N#Cc1nnc2ccccc2c1Nc1ccc2ccoc2c1 443517943 QWZXZQPSPHNLGS-UHFFFAOYSA-N 286.294 3.991 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)c(O)c2)CCCCC1 449180368 ZZIFDVPMYLMZLL-UHFFFAOYSA-N 289.375 3.866 30 20 CHED C=CCC1(NC(=O)c2cc(F)c(F)cc2F)CCCC1 619107843 KVLSKLLUDCNCCC-UHFFFAOYSA-N 283.293 3.723 30 20 CHED C=CCCCc1nc(-c2coc3ccccc23)no1 445553082 LBKLSJLZHAKMOQ-UHFFFAOYSA-N 254.289 3.992 30 20 CHED C=CCOc1cccc(CN2CCC[C@H]2c2ccccn2)c1 536629451 MTGRJDLMIKQFHO-IBGZPJMESA-N 294.398 3.984 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1cc(C#N)ccc1F 610004194 DYBGAFAKMFSPKD-LBPRGKRZSA-N 298.336 3.956 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)c1ccc(C#N)cc1 269650216 IELZLNASNJKBHZ-GJZGRUSLSA-N 296.395 3.695 30 20 CHED C=C(C)COc1cc(CN2C[C@@H](C)C[C@H]2C)ccc1OC 539820690 CZGIOUVGHZHCEN-LSDHHAIUSA-N 289.419 3.880 30 20 CHED C=CCC[C@@H](NCc1cncc(C)c1)c1ccco1 353621021 KZENZORITWEWET-OAHLLOKOSA-N 256.349 3.780 30 20 CHED CC(C)c1ccc(SCC(=O)N(C)[C@@H](C)CC#N)cc1 264104154 UMSPRXYAMBVDAH-ZDUSSCGKSA-N 290.432 3.663 30 20 CHED C=CC[C@H]1N(C(=O)c2ccn(C)c2CC)CCCC1(C)C 356158377 DYMUMWSQMRSWTO-MRXNPFEDSA-N 288.435 3.794 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1cc2cccc(F)c2o1 357146602 ZAWXOVSTWSMHBN-SNVBAGLBSA-N 288.322 3.689 30 20 CHED CC1(C)CN(C(=O)c2cc(C#N)cs2)c2ccccc21 610709153 UFNVXQKLJPUAFI-UHFFFAOYSA-N 282.368 3.558 30 20 CHED CC(C)c1ccc(C(=O)N2CC[C@](F)(C#N)C2)cc1Cl 615580064 OMUHBQWTSXZZJT-HNNXBMFYSA-N 294.757 3.541 30 20 CHED Cc1cccc2c(N3CCC[C@](C)(C#N)C3)c(C#N)cnc12 612107893 JTZYPVLAIDTAAX-GOSISDBHSA-N 290.370 3.545 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N1CC(C)(C)c2c(Cl)cccc21 448828742 QJNSMXTXOCFXQE-QLJPJBMISA-N 288.778 3.514 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)Cc1coc2ccccc12 449549242 WCNURTKVWZWVJY-XYPHTWIQSA-N 285.387 3.687 30 20 CHED CCN(CCC#N)Cc1ccc(Oc2ccccc2)o1 356928530 UYJGWNYYPULUCQ-UHFFFAOYSA-N 270.332 3.807 30 20 CHED CC(C)c1cc(C(=O)NC2(C#N)CCC2)c2ccccc2n1 619221590 CRCCAKKDHNZYFU-UHFFFAOYSA-N 293.370 3.534 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(OC(C)C)cc1)OCC 535906307 QZJFIPAGSIWCPS-INIZCTEOSA-N 291.391 3.784 30 20 CHED CCC[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C(C)(C)C 452671398 MNGFFRZTRDURBR-BBRMVZONSA-N 286.419 3.993 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)c1ccccc1F 452776560 RGLWITSBBPXJKZ-LBPRGKRZSA-N 263.356 3.648 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)CC1(C#N)CCC1 450426105 VPRZGLPQPGTWPX-ZDUSSCGKSA-N 276.811 3.897 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccn(C(C)C)n1 265080648 VHTWRLAPWUBHSH-UHFFFAOYSA-N 289.423 3.673 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 455361705 DWWJNPPSHMRAJL-AWEZNQCLSA-N 274.408 3.910 30 20 CHED C[C@@H](CC1CCOCC1)NCc1ccc(C#N)c(Cl)c1 619755569 LSUFMOCACOTENG-LBPRGKRZSA-N 292.810 3.506 30 20 CHED Cc1ccc(-c2nnc(SCC3(C#N)CC3)o2)cc1C 611491596 YTHMCATTWLHMLP-UHFFFAOYSA-N 285.372 3.749 30 20 CHED C[C@@H](CCc1cccc(C(F)(F)F)c1)NCC1(C#N)CC1 619535181 AEOXYRMWXAKFBQ-LBPRGKRZSA-N 296.336 3.920 30 20 CHED C=CCCCCCN(C)Cc1sccc1OC 538726922 GLFIHYNHGPLNKW-UHFFFAOYSA-N 253.411 3.935 30 20 CHED N#Cc1cccc(Cl)c1NCc1cccc2c1OCO2 360954310 LQZQBRYPCKNEJB-UHFFFAOYSA-N 286.718 3.552 30 20 CHED C=CCCNC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 617616211 NFUMLCBACGLDQS-CYBMUJFWSA-N 285.309 3.891 30 20 CHED Cc1ccc2oc(C(=O)N3CCC[C@](C)(C#N)C3)cc2c1 612238275 RDAGBJQCVZJFKW-QGZVFWFLSA-N 282.343 3.507 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)NCC(C)(C)CC#N)cc1 459225191 BWYUXAIJELBZKT-MRXNPFEDSA-N 299.418 3.781 30 20 CHED C=CCC[C@@H](CCC)N[C@H](CCO)c1ccccc1 360238277 MIBPBVLREMDINJ-IAGOWNOFSA-N 261.409 3.835 30 20 CHED CCC(C)(C)c1ccc(CNC(=O)[C@]2(C#N)C[C@@H]2C)cc1 450202476 OJNQWUFBSJYQQN-UGSOOPFHSA-N 284.403 3.540 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2c(F)cccc21 618802942 GHUPUCWLOFRFIS-RBUKOAKNSA-N 292.357 3.962 30 20 CHED N#Cc1c(NC(=O)[C@@H]2CC23CCC3)sc2c1CCCC2 610748578 KBYZLSDIRRMZEG-LBPRGKRZSA-N 286.400 3.627 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OC2CCC2)c(F)c1 454907313 BCBIGZYIDMIPAA-UHFFFAOYSA-N 292.354 3.845 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2ccc(C#N)cc2)CCCCC1 276465033 PJIDBKCCXGJBHD-OAHLLOKOSA-N 294.398 3.709 30 20 CHED CC(C)[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)[C@H]1C(C)C 455902178 FZCVQPUKKYAFSR-SJORKVTESA-N 299.418 3.897 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CC[C@H](C)C2)c1 360113357 BXVYZUQNNUXEPE-WCQYABFASA-N 256.349 3.609 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C)cc1C 453336779 FZRWLHHOEJWYBA-OIISXLGYSA-N 259.393 3.688 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2n[nH]c(/C=C\c3ccccc3)n2)C1 450800442 YFRFQYJXKQBRDR-TXKQXAOOSA-N 296.399 3.759 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCOC(C)(C)C2)CCCCC1 450223515 NEGFPBJADYHESF-CQSZACIVSA-N 279.424 3.587 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](CC3CC3)C2)CCCC1 452162449 LRICPZLHRIUMSV-HNNXBMFYSA-N 261.409 3.772 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc2c1OCO2)c1ccccc1 541111363 PFJWRUIUCASUEI-ZDUSSCGKSA-N 295.338 3.714 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCCc2c(O)cccc21 361662496 QQJSPHBXMPHNOI-HEHGZKQESA-N 259.393 3.960 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2cccc(CC#N)c2)C[C@H]1C 456746810 IKJNYOCFZWAQHD-UMVBOHGHSA-N 270.376 3.763 30 20 CHED CC#CCCNC(=O)CCCc1ccc2ccccc2c1 541807210 GCKZAGHYAXEMIP-UHFFFAOYSA-N 279.383 3.692 30 20 CHED CCC[C@@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 541979121 OKKDCPYDGZWDMO-QGZVFWFLSA-N 284.403 3.723 30 20 CHED C=CCOc1ccc(CN=c2[nH]oc(C)c2C)cc1Cl 453052043 NJWCNZMQDLSJHA-UHFFFAOYSA-N 292.766 3.544 30 20 CHED C[C@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cc2ccccc2o1 452560533 DXKPYRZUQWHOBZ-YDHLFZDLSA-N 296.370 3.735 30 20 CHED C=CCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 543620011 PQJDPZRFCCQNEX-UHFFFAOYSA-N 274.364 3.869 30 20 CHED CCc1nc(CCN[C@@H](CC)c2ccc(C#N)cc2)cs1 278383152 DDWPMVCDIPCJRT-INIZCTEOSA-N 299.443 3.861 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1C#N 370005325 HXWZJDIDFOUUCA-MRXNPFEDSA-N 296.395 3.906 30 20 CHED C=CCN(C(=O)c1ccc2ccccc2n1)C(C)(C)C 622942502 OFBGDQLEWSMSQB-UHFFFAOYSA-N 268.360 3.662 30 20 CHED Clc1ccc(C#CCN2CCC3(CCC3)C2)cc1 468115432 OVUYOOWDNYNEJY-UHFFFAOYSA-N 259.780 3.568 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H]1[C@H]1CCCO1)c1ccccc1 284616152 IUMXQCWSXMXACM-BPQIPLTHSA-N 299.414 3.516 30 20 CHED C=C[C@@H](C)NC(=O)CSc1ccc(C(C)C)cc1 465118282 WJTCAQVRZCZAQX-GFCCVEGCSA-N 263.406 3.593 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2cccnc2C)CCCC1(C)C 287121684 PPYUQPSPVVVRLA-INIZCTEOSA-N 286.419 3.526 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 462062375 XKPDZEMULBPTGC-WBVHZDCISA-N 298.430 3.946 30 20 CHED C=CCCN(C)C(=O)[C@@H](CC1CCCC1)C(C)C 466637020 WFFDMNRBCBWGBT-HNNXBMFYSA-N 251.414 3.873 30 20 CHED C=CCC[C@H](CC)NC[C@H]1CCN(c2ccccc2F)C1 462820783 ZDFLWGCZBZIBFJ-CVEARBPZSA-N 290.426 3.986 30 20 CHED C=CCOc1ccc(CNC2CC(OC(C)(C)C)C2)cc1 556914587 KJBTZAPVXNUNCO-UHFFFAOYSA-N 289.419 3.687 30 20 CHED COc1cc(CNC(C)(C)c2ccccc2)ccc1C#N 281795174 UWFLMIZOUPSBJM-UHFFFAOYSA-N 280.371 3.592 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC=C(c2ccccc2)C1 284803120 HEGHVXGUAWQFRJ-SFHVURJKSA-N 269.388 3.905 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@H](CC)O1 464959601 ALIFXMBTMXSSLM-JKSUJKDBSA-N 279.424 3.539 30 20 CHED C=CCC[C@@H](NCCCc1cccc(C)n1)C1CC1 287536752 PCYVHTZWIXSHOP-QGZVFWFLSA-N 258.409 3.657 30 20 CHED Cc1ccsc1-c1noc(C2(C#N)CCCCC2)n1 289704833 HGSROKAZMAYZGB-UHFFFAOYSA-N 273.361 3.832 30 20 CHED C=C[C@H](C)NC(=O)N(Cc1ccccc1)CC(C)(C)C 464756788 RNQPIXYHDAQJNR-AWEZNQCLSA-N 274.408 3.819 30 20 CHED C=CCN(Cc1cccs1)[C@H](c1nccn1C)C1CC1 637870609 DGLXBCRNOWPLMC-HNNXBMFYSA-N 287.432 3.621 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)N(C)CCC#N)c2)o1 281003377 LEADGVMMCVWFOY-UHFFFAOYSA-N 297.358 3.941 30 20 CHED CCC[C@H](C)CC(=O)N(CCC#N)c1ccc(F)cc1 554286601 MRSDAOMDAWJUSL-ZDUSSCGKSA-N 276.355 3.899 30 20 CHED CC[C@H](NC[C@H](C)N1CCCC[C@H]1C)c1ccc(C#N)cc1 559983547 JOPODCJORVDSAT-GJYPPUQNSA-N 299.462 3.862 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 554789950 IVEFFSNLXUEESG-KRWDZBQOSA-N 282.387 3.698 30 20 CHED Cc1nsc(N2CCC[C@H](Cc3ccccc3)C2)c1C#N 557585099 XGEIVBRVJYZLCQ-OAHLLOKOSA-N 297.427 3.782 30 20 CHED C[C@H](C#N)CN(C)C(=O)C(C)(C)c1cccc2ccccc12 294672316 XDRBPINYYOKQJB-CQSZACIVSA-N 294.398 3.735 30 20 CHED C#CCN(C(=O)c1coc2ccc(C(C)C)cc12)C1CC1 804562079 IKPBIBXAEWQTKB-UHFFFAOYSA-N 281.355 3.794 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 295309067 KLVXJQIYQHSAQM-OIISXLGYSA-N 284.403 3.974 30 20 CHED N#Cc1c(F)cccc1N(Cc1ccccc1)C1CC1 384400659 LNKWDQWSZBMEMM-UHFFFAOYSA-N 266.319 3.866 30 20 CHED CC(C)n1ccc(CSc2cccc(F)c2C#N)n1 562475467 IEJIDZXUSHWYHE-UHFFFAOYSA-N 275.352 3.767 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](CC)c1nc(C)cs1 292943194 XVOIDGFZZVMODB-LLVKDONJSA-N 266.410 3.621 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](Cc2ccccc2)C1 472872930 VSOOSZOSGBSDFD-QGZVFWFLSA-N 286.419 3.617 30 20 CHED COC[C@@H](/N=C/c1ccccc1O)c1cccc(Cl)c1 809144099 CWWWXDVAKQYNCU-BFERYNQYSA-N 289.762 3.852 30 20 CHED C[C@@H](C#N)OCCSCc1coc(-c2cccs2)n1 802749445 CQBOAAOBIPXFCW-JTQLQIEISA-N 294.401 3.565 30 20 CHED C#CCCc1noc([C@H](C)Oc2cccc3ccccc23)n1 809397816 GCKRXRNNHHEFNG-ZDUSSCGKSA-N 292.338 3.929 30 20 CHED C=CCN(CCC#N)C(=O)CCCc1ccccc1Cl 292586164 YYUDWBZZKUPQNY-UHFFFAOYSA-N 290.794 3.591 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1Cl 562898547 BXASBEKCRHMTPF-UHFFFAOYSA-N 297.701 3.634 30 20 CHED C#C[C@H](CC)N[C@H]1CC=C(c2ccc(F)cc2)CC1 809686799 LKCYPTLRPJBVMZ-SJORKVTESA-N 257.352 3.763 30 20 CHED C[C@H](OC(=O)C1(C(F)F)CCCC1)c1cccc(C#N)c1 808647492 CMCJNELGDVVYBV-NSHDSACASA-N 293.313 3.988 30 20 CHED C=CCCN(C)C(=O)Nc1cnn([C@H](C)c2ccccc2)c1 646447682 IZPRSBPALMLTGR-CQSZACIVSA-N 298.390 3.532 30 20 CHED Cc1cc(C(=O)/C=C/c2cnn(CC(F)F)c2)c(C)s1 292245158 CSOFUATUFOKOAW-ONEGZZNKSA-N 296.342 3.723 30 20 CHED CC(C)c1cnc(NC(=O)[C@]2(C#N)CC23CCCC3)s1 294985038 ODYRKUKVMLCSCO-OAHLLOKOSA-N 289.404 3.679 30 20 CHED C[C@@]12CCN(c3ccc(C#N)cc3F)C[C@@H]1C2(Cl)Cl 804705108 RNCUZFQRSNKEOG-QWHCGFSZSA-N 299.176 3.717 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(COCC)cc2)no1 297839485 SIRLEWPJVRXJFP-UHFFFAOYSA-N 272.348 3.737 30 20 CHED C=CCCCCCCCCN1C(=O)[C@@H]2CCCCN2C1=O 806674035 UGYWAGYRTXSBCZ-HNNXBMFYSA-N 292.423 3.720 30 20 CHED C=CCCCCN[C@H](C)c1nnn(-c2ccccc2)c1C 471585139 KXEXIONCSJNFJP-CQSZACIVSA-N 284.407 3.583 30 20 CHED CN(c1ccncc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 561700872 GRORCUJYEUQZTG-TXEJJXNPSA-N 283.297 3.511 30 20 CHED C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC=CCC1 642709018 IZBLYDPNBFHILZ-UHFFFAOYSA-N 294.402 3.596 30 20 CHED C=C(C)CN(C)C(=O)NCc1cc(Cl)sc1Cl 488052926 FGQCOVJHIZSQJK-UHFFFAOYSA-N 293.219 3.772 30 20 CHED CCOc1ccc(NN=C(C)c2cccs2)cc1 814984543 PVTOYTSGUKQBJU-UHFFFAOYSA-N 260.362 3.983 30 20 CHED C#CCC1(C(=O)N2CC(C3CCCCC3)C2)CCCCC1 819009442 JWYSIHKLCOWLTF-UHFFFAOYSA-N 287.447 3.999 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Cc1ccccc1F 488874840 FMCOZQXYHRAPPY-HIFRSBDPSA-N 275.367 3.571 30 20 CHED C[C@@H](OC(=O)CCCC#N)c1nc2ccc(Cl)cc2[nH]1 813068026 UBBKBDILWDGCJZ-SECBINFHSA-N 291.738 3.514 30 20 CHED Cc1nc(N2CC[C@@H](c3ccccc3)[C@@H]2C)ccc1C#N 488118290 AKPRAYKIXYWTGS-WMLDXEAASA-N 277.371 3.644 30 20 CHED COc1ccc(C(C)=NNc2ccccc2F)cc1OC 812458947 OJKLMBBAGJNKMH-UHFFFAOYSA-N 288.322 3.679 30 20 CHED COCC(=NOC/C=C/Cl)c1cccc(Cl)c1F 814934183 OAMHZNQYQGJIEB-CPHDJVSPSA-N 292.137 3.599 30 20 CHED Cc1ccsc1-c1noc(-c2ccccc2OCC#N)n1 810316148 QMASTWQPFOIWEG-UHFFFAOYSA-N 297.339 3.676 30 20 CHED C=CCCCCCCCNc1c([N+](=O)[O-])c(C)nn1C 811847776 DLUCGNWLGKICIU-UHFFFAOYSA-N 280.372 3.575 30 20 CHED Fc1ccc(NN=Cc2ccc3oncc3c2)c(F)c1F 814945059 JJRORNLUBZFMDL-UHFFFAOYSA-N 291.232 3.691 30 20 CHED CCCNN=C1CC(c2ccc(Br)cc2)C1 814804424 OLQSHTMXKULMAD-UHFFFAOYSA-N 281.197 3.682 30 20 CHED CC(=O)[C@H](C)CCSc1ccc(C#N)cc1Cl 657251333 BOOIIIDDTMDAQL-SECBINFHSA-N 267.781 3.919 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cn(C)nc1C(F)F 812243351 JZOYLNDTMYFECO-ONEGZZNKSA-N 282.315 3.624 30 20 CHED FC(F)(F)c1cscc1C=NO[C@@H]1CCCCO1 811645823 CXVFSDBVMUTADB-SNVBAGLBSA-N 279.283 3.644 30 20 CHED COc1c(C)cc(C(C)=NOCC2CC2)cc1Cl 814244435 SZLUOPKWXUWMCE-UHFFFAOYSA-N 267.756 3.808 30 20 CHED Cc1cc(NN=C2CC[C@H](Cc3ccccc3)C2)nc(C)n1 814807261 NALJTYUKKWTEHX-MRXNPFEDSA-N 294.402 3.904 30 20 CHED C#Cc1cncc(C(=O)N(CCCC)[C@H]2CCC[C@@H](C)C2)c1 818802378 NBPKEGABJWICGH-QAPCUYQASA-N 298.430 3.884 30 20 CHED C[C@@H](CC#N)N(C)Cn1c(=S)oc2ccc(Cl)cc21 728903835 GWZYMFXDFSUVLS-VIFPVBQESA-N 295.795 3.809 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)c1cccc(F)c1 488883601 ZNPFZSUVXRQRBS-CJNGLKHVSA-N 275.367 3.886 30 20 CHED Fc1ccc(F)c(CNN=C2CC[C@@H]2C2CCC2)c1 814809364 YTTFXKPCSJVYTN-CYBMUJFWSA-N 264.319 3.621 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@H](CC(=O)O)[C@@H]1C 814859444 VDYOQWYNNKIYSG-MELADBBJSA-N 282.428 3.812 30 20 CHED C=CCN(C(=O)NCc1cccc(SCC)c1)C(C)C 813845400 UBWAYVDDFZOLPG-UHFFFAOYSA-N 292.448 3.905 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C)c1cccc(F)c1 488883603 ZNPFZSUVXRQRBS-XJKSGUPXSA-N 275.367 3.886 30 20 CHED C=CCn1c(CCCC)nnc1N(C)c1ccccc1 572607546 AMMWMSMWWNCYBN-UHFFFAOYSA-N 270.380 3.575 30 20 CHED CC(C)(C)Oc1ccc(NCc2ccncc2)cc1C#N 824722725 WDBIJVYPKDEGRR-UHFFFAOYSA-N 281.359 3.743 30 20 CHED CCN(CC)c1ccc(CN2CCC[C@H](CC#N)C2)cc1 826861152 BCGIPKOVVTVWIG-MRXNPFEDSA-N 285.435 3.658 30 20 CHED C#CCCCOC(=O)c1cc2c(F)cccc2s1 727042133 VVARCYQEKLFQHQ-UHFFFAOYSA-N 262.305 3.611 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1 573789797 WVIPVVQDAOTXMR-WWGRRREGSA-N 282.387 3.862 30 20 CHED CC(C)N(C)C[C@H](C)Nc1cc(C#N)ccc1C(F)(F)F 577115214 LTKCDGYRXXCMQF-NSHDSACASA-N 299.340 3.718 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](C)c2ccccc21 490080056 MVBLGCZUHRAXBK-AWEZNQCLSA-N 280.371 3.828 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1Cl 490102852 KOACYEVKUSPCOC-UHFFFAOYSA-N 260.724 3.580 30 20 CHED C=CCN(C(=O)Nc1cc(F)c(F)cc1F)C(C)C 729576217 QZNFKKKJYYULQW-UHFFFAOYSA-N 272.270 3.532 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCC(F)(F)C2)CCC1 499503276 MGMBBGSAZPXNAG-LBPRGKRZSA-N 271.351 3.675 30 20 CHED CCOCC(C)=NNc1ncc(C(F)(F)F)cc1Cl 726417739 IBVDBGLUNZLHFO-UHFFFAOYSA-N 295.692 3.578 30 20 CHED N#Cc1ccc(-c2cc(C3CC3)nn2[C@@H]2CCCCO2)cc1 904777034 KVNXVYKNEYPAAR-SFHVURJKSA-N 293.370 3.998 30 20 CHED CCSCc1cccc(NC(=O)C#CC(C)C)c1 828613980 GIMALQGUDCAMAF-UHFFFAOYSA-N 261.390 3.538 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc([C@H]2CCOC2)cc1 820702408 RNXIDDUCCSEFDA-ZFWWWQNUSA-N 273.376 3.731 30 20 CHED O=C(/C=C\c1ccc(C2CCCC2)cc1)c1cc(CO)on1 905077474 XEYZHOOVGQSEKB-YFHOEESVSA-N 297.354 3.721 30 20 CHED C=C[C@H](CC)CC(=O)OCc1cc(-c2ccco2)on1 909531256 WUYXLDSQMQHESS-LLVKDONJSA-N 275.304 3.580 30 20 CHED Cc1ncccc1COc1ccc(C(F)(F)F)c(C#N)c1 589271492 WNARZPUAVAJCCP-UHFFFAOYSA-N 292.260 3.860 30 20 CHED CN(Cc1ccccc1Cl)C(=O)CCCCCC#N 588248512 JVISZNXIBSZSHE-UHFFFAOYSA-N 278.783 3.772 30 20 CHED FC(F)(F)c1ccnc(NN=C2CC3(CCC3)C2)c1 834983985 KBIYJTLOQFIYHQ-UHFFFAOYSA-N 269.270 3.832 30 20 CHED C=C(CNCc1ccc(Cl)nc1)c1ccccc1 751504084 YAOYMQYGONWANT-UHFFFAOYSA-N 258.752 3.538 30 20 CHED Cc1ccc(CNC(=O)Nc2scc(C)c2C#N)cc1 584568228 UHWAXTRYULAKRG-UHFFFAOYSA-N 285.372 3.558 30 20 CHED C#CCC[C@H](C)OC(=O)CCCSC(C)(C)C 839037238 PGCUAPWCURDGTJ-LBPRGKRZSA-N 256.411 3.643 30 20 CHED Cc1ccccc1/C=C/C(=O)c1c(C#N)c2n(c1C)CCC2 730086108 YAFNHBLQTVMKDV-MDZDMXLPSA-N 290.366 3.819 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@@H]1CC12CCC2 839436164 UHYPUPRFYSURPB-HNNXBMFYSA-N 276.339 3.840 30 20 CHED CCC/C=C\C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 735203730 LXUNGSKTQIIJIO-MFNCVGGLSA-N 294.354 3.724 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1N(C)C1CCCC1 830290417 BOWFIJBBHBLUBR-UHFFFAOYSA-N 284.403 3.663 30 20 CHED CC(C)N(C(=O)c1cccc(C#N)n1)c1ccc(Cl)cc1 589763304 JQJVZLCUGNPQQU-UHFFFAOYSA-N 299.761 3.662 30 20 CHED N#Cc1ccc(S[C@@H](C(=O)O)c2ccccc2)c(F)c1 738434814 PACZXOYWILCRJP-CQSZACIVSA-N 287.315 3.615 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CC1CC(F)(F)C1 835053295 VJWDTLZRSXLCGK-UHFFFAOYSA-N 296.313 3.765 30 20 CHED CC1(C)CC[C@H](Nc2nccc(C#N)n2)c2ccccc21 582945405 DVSCAYOWAHNEJL-HNNXBMFYSA-N 278.359 3.573 30 20 CHED Cc1cc2ccc(C(=O)Nc3ccc(F)c(C#N)c3)cn2c1 585681573 AHMFNJNFDJRSOU-UHFFFAOYSA-N 293.301 3.511 30 20 CHED C#CCCCCC(=O)N1CCCc2c(F)ccc(Cl)c21 839441837 RXAGZEFPDONGOF-UHFFFAOYSA-N 293.769 3.952 30 20 CHED CC[C@@H](C)[C@H](C=NNc1cc(C(F)(F)F)ccn1)OC 834985594 NBIFAANLIYIPBF-KOLCDFICSA-N 289.301 3.559 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ncnc3sccc23)o1 732766231 VBHUWVHORDOZIG-BXKDBHETSA-N 298.371 3.854 30 20 CHED C[C@H](C(=O)Nc1cc2ccccc2cc1C#N)C1CC1 839434636 FFFKDBRQQXEFAM-NSHDSACASA-N 264.328 3.696 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C#CC(C)(C)C)C2CC2)o1 837341090 SROSRFFBFZCGBH-CJNGLKHVSA-N 299.414 3.944 30 20 CHED C[C@H](OC(=O)c1ccc2[nH]ccc2c1)c1ccc(C#N)cc1 748679398 DWNYNPQQOMYSOK-LBPRGKRZSA-N 290.322 3.958 30 20 CHED Cc1cc2ncn(Cc3ccc(OCC#N)cc3)c2cc1C 742351655 MMUAJYBGKITVOW-UHFFFAOYSA-N 291.354 3.604 30 20 CHED Cc1cccc2cc(C(=O)OCc3ccc(C#N)cc3)oc12 747266238 LZSUNFYLCFIHMG-UHFFFAOYSA-N 291.306 3.970 30 20 CHED Cc1cc(NN=Cc2ccc(-c3ccccc3)o2)nc(C)n1 917545101 NUQMYPIBPOHGIZ-UHFFFAOYSA-N 292.342 3.799 30 20 CHED CCOc1ccccc1OCCSCC1(CC#N)CC1 596340649 HUEHZAUDDWSMRB-UHFFFAOYSA-N 291.416 3.891 30 20 CHED Cc1cnccc1-c1cc(CC#N)ccc1OC(C)C 592984809 RNIPBCXNXQMBMQ-UHFFFAOYSA-N 266.344 3.910 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCCN(C(C)C)C1 745997939 ZMKOSWKKKQRQIN-INIZCTEOSA-N 282.472 3.584 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ncc(C#N)cc1F)CC2 591146721 VLWQNIZBAJNLRS-HNNXBMFYSA-N 267.307 3.500 30 20 CHED CC(=NNCc1cccc2cccnc12)c1ccccc1 915959041 FQEKMJDNIZBPBW-UHFFFAOYSA-N 275.355 3.749 30 20 CHED N#CC1(C(=O)NCc2ccc3occc3c2)CCCCC1 597976156 RGNOLXFVJAXVCO-UHFFFAOYSA-N 282.343 3.523 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c1 743083877 DRMZHOYWTSMTCB-MJGOQNOKSA-N 290.366 3.520 30 20 CHED CC[C@@H](C)CCNC(=O)N[C@H](CCC#N)c1ccccc1 595569129 RFGSORNNOOLFBM-GDBMZVCRSA-N 287.407 3.767 30 20 CHED N#Cc1cc(NC(=O)/C=C\C2CCCC2)nc2ccccc12 843592831 GHVRIRKMUAMRQX-KTKRTIGZSA-N 291.354 3.791 30 20 CHED N#CCCCCc1nc(CCCc2ccsc2)no1 594529154 GYWZKNMEQXZZOU-UHFFFAOYSA-N 275.377 3.543 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCC1CCCCCC1 593996153 LUUICJDMUSCMHR-HNNXBMFYSA-N 250.386 3.545 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCCCCC#N 595489457 SNECAXKLIQTQFH-INIZCTEOSA-N 299.418 3.844 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2 847744296 APCRKAROGODPJD-PHPOFCCKSA-N 292.419 3.868 30 20 CHED CC(C)N(CCc1ccc(C#N)cc1)CC1CCC1 595463890 BXCHFFBJAUBYOU-UHFFFAOYSA-N 256.393 3.611 30 20 CHED C=CCSCCNC(=S)Nc1cc(C)ccc1C 745019327 MFJZHEHRJOTQDF-UHFFFAOYSA-N 280.462 3.509 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1ncccc1Cl 917549521 QYAAHKTVFKXQLC-UHFFFAOYSA-N 289.766 3.861 30 20 CHED O=C(/C=C/c1ccccc1F)c1ccc2c(c1)COC2 742434200 DFKSXRRBYJLJLD-BQYQJAHWSA-N 268.287 3.752 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@H]2CCC[C@@H]21 685547176 RKJVMMVNHIEIAU-ZBFHGGJFSA-N 294.402 3.510 30 20 CHED C=CCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 840605595 NXGXWBHBTOGMKE-UHOFOFEASA-N 269.344 3.560 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1C[C@H](C)C[C@@H](C)C1 593982334 GGSMDFXBZPHWCF-KFWWJZLASA-N 298.430 3.678 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 745233685 IJVSAEHAMGBQKY-VXGBXAGGSA-N 266.287 3.578 30 20 CHED C#CCCCCCC(=O)N(CC#N)c1ccc(Cl)cc1 843611245 ZNHLCHVFIRBOET-UHFFFAOYSA-N 288.778 3.780 30 20 CHED Fc1ccccc1C=NNCc1ccccc1Cl 918152577 HPGMYWPBJUPPJT-UHFFFAOYSA-N 262.715 3.603 30 20 CHED CCOc1cccc(/C=N/[C@@H]2CCC[C@@H](C)C2)c1O 914702765 LLBXOIQJGIGHDY-JQWWKUHOSA-N 261.365 3.789 30 20 CHED C=C(C)CCOC(=O)CCc1ccc(OCC)cc1 744302900 GNJBUMZMLUNQDT-UHFFFAOYSA-N 262.349 3.527 30 20 CHED C[C@H](C#N)OC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 747024049 ISQVWSGPNHTABW-HTQZYQBOSA-N 272.131 3.552 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CCc3ccccc32)c1C#N 596904784 QEOVOZPFUOWNPL-CQSZACIVSA-N 297.383 3.737 30 20 CHED N#CCc1cccc(NC(=O)C[C@H]2CCc3ccccc32)c1 590884475 MQFZQDWHELCDPN-MRXNPFEDSA-N 290.366 3.811 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 742436111 GFOLHZCPBFPSRG-FPYGCLRLSA-N 295.294 3.521 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C\c2c(O)cccc2OC)C1 749008300 UWVRLRRFBJWQCT-AACANCPSSA-N 293.432 3.884 30 20 CHED CCCCC(CC)=NNc1ccc(CC(=O)OC)cc1 844607187 SLXAQKUFHNBCNG-UHFFFAOYSA-N 276.380 3.770 30 20 CHED C=CC[C@@H](NCc1ccc(OC)cc1C)c1ccncc1 921748793 ZIWBDKGSKGFDAH-GOSISDBHSA-N 282.387 3.806 30 20 CHED COc1ccc(F)cc1[C@H](C)N[C@@H](C)CC(C)(C)C#N 924705811 MNQRZDCDZDHDJV-RYUDHWBXSA-N 278.371 3.813 30 20 CHED C[C@@H](COc1cccc(F)c1)N[C@H](C)CC(C)(C)C#N 924736257 ZDOHZDHINHBEAV-OLZOCXBDSA-N 278.371 3.511 30 20 CHED Cc1cc(C(=O)OCc2cc(F)ccc2C#N)ccc1F 759365610 OHJSJFXRLVQSRD-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)OCc1ccccc1C#N 920729530 QMMNQVPEHXQIGO-ZIAGYGMSSA-N 271.360 3.818 30 20 CHED COc1ccc(C(=O)/C=C/C=C\c2ccccc2)c(O)c1 757472733 SBWVAYLFZNDEJR-VTBWALSUSA-N 280.323 3.853 30 20 CHED CC[C@H]1CCCC1=NNc1cc(F)cc(OC)c1 759211049 YBOVMNJXPDQAMJ-JTQLQIEISA-N 250.317 3.812 30 20 CHED C[C@H](C=NNc1ncccc1[N+](=O)[O-])CCc1ccccc1 759203223 LUTGBGZZAUESGZ-ZDUSSCGKSA-N 298.346 3.656 30 20 CHED Cc1cc(COC(=O)CC2(C#N)CCCCC2)cs1 851022226 UGIITFRJSNZEFO-UHFFFAOYSA-N 277.389 3.964 30 20 CHED C[C@@H](/N=C\c1cc(Cl)ccc1O)c1ccccn1 920944672 HVPOZUTUFWSQEK-LGQZLYSRSA-N 260.724 3.621 30 20 CHED Clc1cccnc1NN=C[C@@H]1C[C@H]1c1ccccc1 755654358 JAONJMYSEHWBTM-STQMWFEESA-N 271.751 3.936 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(F)ccc2[N+](=O)[O-])s1 752873318 CFUAXTZVJRBKSF-FNORWQNLSA-N 291.303 4.000 30 20 CHED COc1cc(F)cc(NN=Cc2ccnc3ccccc23)c1 759212458 FQXYZVAEROXFLH-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C#CCCCC(=O)NCC1CCC(C(C)(C)C)CC1 758705034 WRNMDKAJFSOEFD-UHFFFAOYSA-N 263.425 3.759 30 20 CHED C#CCCCCNC(=O)N[C@H](c1ccccc1C)C1CC1 758769213 VLMGELNVODDWPZ-KRWDZBQOSA-N 284.403 3.549 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(C)s1 754673697 YATFIKHXJCKENA-KBPBESRZSA-N 294.464 3.520 30 20 CHED C#CC[C@H](OC(=O)CC[C@@H]1CC1(Cl)Cl)C(C)C 850874255 WZLWXYASFYIMAD-MNOVXSKESA-N 277.191 3.552 30 20 CHED CC[C@H](C/N=C\c1ccccc1O)Oc1cccc(F)c1 753137650 JCONSMLQAZOZJX-MXDDHBLUSA-N 287.334 3.808 30 20 CHED O=C(O)c1ccccc1C=NNc1c(F)cccc1Cl 769827169 QETKLFMTIOPBMN-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=C(Cl)CNC(=O)[C@H](CC)C1CCC(C)CC1 763762574 DJCMYWDLHXRIQO-KGPNIALWSA-N 257.805 3.708 30 20 CHED CCCCCCCNC(=O)c1scnc1C(C)C 862356384 WVSROEKIUULLGW-UHFFFAOYSA-N 268.426 3.967 30 20 CHED C[C@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)Cc2ccccc21 766042530 KKUFBDGZWMBGOO-LBPRGKRZSA-N 293.326 3.590 30 20 CHED N#C[C@H](C(=O)CSc1ccccc1)c1ccccc1 864238393 JJIVZSHBAQZTDS-HNNXBMFYSA-N 267.353 3.655 30 20 CHED CCCCCCCCN1CCC([C@H](O)C(F)(F)F)CC1 766137522 ZYNUXQPBCGMGTB-AWEZNQCLSA-N 295.389 3.982 30 20 CHED FC(F)CNN=CCCCc1cccc(C(F)(F)F)c1 769788950 FCPNICMYRMHBHH-UHFFFAOYSA-N 294.267 3.869 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(C)c(F)c2)c1 767368735 XWVFHCYLNOBWBW-AATRIKPKSA-N 255.292 3.734 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc3occc3[nH]2)CCCC1(C)C 769639662 BHRXLHAZDAQYIS-HNNXBMFYSA-N 286.375 3.968 30 20 CHED COc1ccc([C@H](C)C=NNc2ccccc2C(=O)O)cc1 768353995 DENBSSJPGZWVED-GFCCVEGCSA-N 298.342 3.595 30 20 CHED CCCCCCCNC(=O)Cc1cccc([N+](=O)[O-])c1C 862357884 LAVDUUWVMZEIRG-UHFFFAOYSA-N 292.379 3.532 30 20 CHED COC[C@@H](C)C(C)=NNc1c(F)cccc1Cl 769826262 CSECXXYOYPXWOQ-MRVPVSSYSA-N 258.724 3.549 30 20 CHED Cc1ccc(NN=C[C@@H](C)c2cccc(Cl)c2)nn1 763363460 RFKKLLWAFJHWNQ-SNVBAGLBSA-N 274.755 3.640 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNc2c(C)cccc2F)o1 769828411 UDUMQFIZZBDSKI-UHFFFAOYSA-N 298.321 3.872 30 20 CHED COc1cccc(C=Nc2ccc(C#N)cc2Cl)c1O 767687529 HSMOFWGJJFUJEV-UHFFFAOYSA-N 286.718 3.676 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C)CC(F)(F)F)cc1 768273236 XYUWNDSXFPNOKW-NEPJUHHUSA-N 285.309 3.690 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC(C)(C)C[C@@H]2C)o1 766012873 KMCVSSKOJIJRSS-JTQLQIEISA-N 274.368 3.894 30 20 CHED Clc1ccc(CNN=CC2=Cc3ccccc3OC2)cc1 764714773 GXOTXQRFPMVKRN-UHFFFAOYSA-N 298.773 3.891 30 20 CHED C#CCCCNc1cc(Cl)ccc1OC[C@H]1CCCO1 766723588 FRMWEMZQZFROQY-CQSZACIVSA-N 293.794 3.723 30 20 CHED CC(=NNc1cnn(C)c1)c1cc2cc(Cl)ccc2o1 761865870 FSYRCJHIMRYLRV-UHFFFAOYSA-N 288.738 3.656 30 20 CHED CC#CC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 764069861 OASGWZHBGSLOJS-IBGZPJMESA-N 291.394 3.890 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CCO[C@@H]1C 770694794 SOYRRCXWCUSTOV-CABCVRRESA-N 269.429 3.620 30 20 CHED CCOc1cccc(C(C)=NNc2nccnc2C(C)C)c1 773090667 JVHBUYJMQJXKHQ-UHFFFAOYSA-N 298.390 3.835 30 20 CHED C[C@H](C(=O)OCC#Cc1cccc(Cl)c1)c1ccco1 773168702 GREPQUSCEDSOEY-LBPRGKRZSA-N 288.730 3.631 30 20 CHED CC[C@](C)(NCCCSCC#N)c1ccccc1 775397945 ZADWTKPIKUWXQU-HNNXBMFYSA-N 262.422 3.548 30 20 CHED C=C(Br)CN1CC=C(c2cccc(C)c2)CC1 771463153 JBHVIEXKXBGVHI-UHFFFAOYSA-N 292.220 3.993 30 20 CHED N#Cc1cccc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 771011741 UIZOYYJXDTXRJE-SQWLQELKSA-N 269.344 3.684 30 20 CHED N#Cc1ccc(SCCSc2ccccc2)nc1 776281993 CZUFWYRDTPKQJP-UHFFFAOYSA-N 272.398 3.838 30 20 CHED C#CCCCCC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 773540788 DREPHXOEHKSMGJ-GOSISDBHSA-N 287.378 3.895 30 20 CHED CC1(C)CCC[C@@H]1C(=O)O[C@H](C#N)C1CCCCC1 772615167 LFHHWGDXOFILQA-ZIAGYGMSSA-N 263.381 3.828 30 20 CHED Cc1c(C(=O)OC[C@@H](C)C#N)sc2cccc(F)c12 770930197 CTKMKVQEOUXTCY-QMMMGPOBSA-N 277.320 3.665 30 20 CHED C#CCOc1cccc(Cl)c1CNCc1ccccc1 778151488 PCVRCTDFSZMRAB-UHFFFAOYSA-N 285.774 3.642 30 20 CHED Cc1cc(OC(=O)c2ccc(C#N)c(Cl)c2)ccc1F 777742668 QUHDHPYWTTXCAJ-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C[C@@H](C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 772748863 FKGMWUTYQFPHOR-GFCCVEGCSA-N 283.302 3.544 30 20 CHED CCOc1cccc(C(C)=NNc2cc(Cl)ccn2)c1 777906288 WFDFTISOCQYFIQ-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CC(=NNc1ccc(Br)cc1)[C@H]1CCCOC1 779768225 JIIFVSYJTSSDCG-NSHDSACASA-N 297.196 3.664 30 20 CHED C=C[C@@H](CC)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 1123073777 DNYGBQIIKDJLBP-JQWIXIFHSA-N 274.389 3.799 30 20 CHED C#CCCCCC(=O)Nc1ccc(CN2CCCCC2)cc1 882950386 IZKJDPKGILPIGD-UHFFFAOYSA-N 298.430 3.805 30 20 CHED N#Cc1ccc(NN=Cc2ccccc2F)cc1Cl 783878606 YCEUVWQZZFJRKK-UHFFFAOYSA-N 273.698 3.797 30 20 CHED CC[C@@H]1CCC[C@H](C=NN2Cc3ccccc3C2=O)C1 783867544 QNKCMKWTVPUSIN-KGLIPLIRSA-N 270.376 3.845 30 20 CHED CCc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)s1 786391336 AUTFHNCCYWEIRL-OAHLLOKOSA-N 296.395 3.599 30 20 CHED C#CCCCCC(=O)OCc1ncc(C(C)C)s1 783488216 WBVWVVRIQOOSSH-UHFFFAOYSA-N 265.378 3.503 30 20 CHED C#CCCCCC(=O)Nc1ccc2sc(C)nc2c1 781202742 AQWPVFUDXVNHAG-UHFFFAOYSA-N 272.373 3.737 30 20 CHED N#C[C@H](OC(=O)c1cc2cccc(Cl)c2o1)C1CC1 783104989 LPUQIUAULINPAT-LBPRGKRZSA-N 275.691 3.545 30 20 CHED CC(C)(C#N)CC(=O)OCc1ccc(Cl)c(Cl)c1 781869996 TVSFLRFTVWKRKU-UHFFFAOYSA-N 286.158 3.976 30 20 CHED CCc1cccc(Cl)c1/C=C/C(=O)c1cnn(C)c1C 788732439 PXZKORNEOAUZRD-CMDGGOBGSA-N 288.778 3.840 30 20 CHED C=CCCN(Cc1ncc(CC)o1)OCc1ccccc1 782668484 AAZAEUNNLNPHNN-UHFFFAOYSA-N 286.375 3.747 30 20 CHED C#Cc1cccc(N(C)Cc2csc(CCC)n2)c1 303195985 NCILMQBJCMQQPW-UHFFFAOYSA-N 270.401 3.713 30 20 CHED C=C(C)CCNC(=O)c1c(Cl)cccc1OCC1CC1 899149522 AEBXCMQGKPFINC-UHFFFAOYSA-N 293.794 3.825 30 20 CHED N#CC1CCC(CNC(=O)CCCCc2ccccc2)CC1 890407743 VVRAKHLJCXLTKC-UHFFFAOYSA-N 298.430 3.846 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC2CC(C)(C)C2)cc1 780588471 BHFHFQOKZKNLOQ-ZDUSSCGKSA-N 272.392 3.503 30 20 CHED COc1ccc2oc(/C=C\C(=O)c3cncs3)cc2c1 787173035 WDECXMUJCTZERK-RQOWECAXSA-N 285.324 3.794 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1cc2ccccc2o1 797884559 PVDCXLRTTGDVPR-UHFFFAOYSA-N 281.267 3.563 30 20 CHED C=C1CCC(C(=O)N(C)Cc2ccccc2C)CC1 895476255 GUCJHMJTXWJPFV-UHFFFAOYSA-N 257.377 3.700 30 20 CHED Cc1cccnc1NN=Cc1cscc1Br 794939493 JQJXLIZTYNUFQT-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CC[C@@H]1C[C@H](C)CN1c1nc(C(F)(F)F)ccc1C#N 75065988 RFAFSBDZBQDOQJ-GXSJLCMTSA-N 283.297 3.597 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1nc(C)cs1 796620065 SRNCFWMACNKNRP-UPJWGTAASA-N 276.405 3.844 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)CC[C@@H](C)CC 795784636 SVMAPTJRFSGLBH-AWEZNQCLSA-N 275.367 3.614 30 20 CHED CC[C@H](Nc1ccc(C#N)nc1)c1ccc(F)cc1 709786056 JXULMHZCIJADIS-HNNXBMFYSA-N 255.296 3.656 30 20 CHED Cc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)cs1 1207985557 VBHDIDXKYFKPJS-UHFFFAOYSA-N 285.372 3.592 30 20 CHED CC(C)[C@@H](C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572704 GSMGUCUNPOKGQG-GHMZBOCLSA-N 278.421 3.909 30 20 CHED CSCCON=C(CC1CCC1)c1ccccc1 794572159 LBJPVZVMXSXPKI-UHFFFAOYSA-N 263.406 3.961 30 20 CHED CC1(CNN=Cc2ccc(C(=O)O)cc2Cl)CCCC1 793085033 VLHMMQPHMVTXAC-UHFFFAOYSA-N 294.782 3.542 30 20 CHED CCC[C@H](C)OC(=O)C[C@@H](CC#N)c1ccccc1 795983129 URCLJXSUPBJBFI-DZGCQCFKSA-N 259.349 3.806 30 20 CHED CC(=NNCC(C)(C)CO)c1ccc(SC(C)C)cc1 799117199 SSYVTDXNLRFPJO-UHFFFAOYSA-N 294.464 3.519 30 20 CHED Fc1cccnc1NN=C(Cc1ccccc1)C1CC1 794983397 AFYIZMDLTRJXAI-UHFFFAOYSA-N 269.323 3.641 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(CC)cc1 796654710 KQXMGIZGRQGRRK-UHFFFAOYSA-N 292.382 3.916 30 20 CHED C#CC1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 692293481 JGPYQCGMJGOGCY-UHFFFAOYSA-N 297.185 3.871 30 20 CHED CC[C@H]1CCC[C@H](Nc2ccc(OCC#N)cc2)C1 71106538 MMXGFTXQNAKWDF-ZFWWWQNUSA-N 258.365 3.970 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)c(F)c(C)c2)c1 694957017 WNSMBPHFQZBVKR-UHFFFAOYSA-N 267.303 3.676 30 20 CHED N#Cc1ccc(NCc2ccc3c(c2)COC3)c(Cl)c1 777939251 AZMDNCXKHASQOX-UHFFFAOYSA-N 284.746 3.854 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)Cc1ccccc1F)OCC 1319491180 RWIUKBUNZJXICS-MRXNPFEDSA-N 293.382 3.546 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1319645108 BAGKHTGQBWRPHW-NSHDSACASA-N 299.773 3.639 30 20 CHED COc1ccc(O)c(/C=N\Cc2cccc(Cl)c2F)c1 1323241311 WPFBPYWHVANYTI-NVMNQCDNSA-N 293.725 3.812 30 20 CHED C(#Cc1nnc(-c2ccc3ccccc3n2)o1)c1ccccc1 1327896100 ZSQXGWLEWUJJGW-UHFFFAOYSA-N 297.317 3.685 30 20 CHED COc1ccc([C@@H](C)C(C)=NOC(C)(C)C)cc1OC 1325010990 HOYMWTQPCIWACR-NSHDSACASA-N 279.380 3.998 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC=C(Cl)C1 1171658450 HYBJPWHLFXCHQU-UHFFFAOYSA-N 267.159 3.540 30 20 CHED C=C[C@H](Cc1nnc(C(C)(C)C)o1)c1ccccc1 1326283624 NTNMGAKRQRWDRA-GFCCVEGCSA-N 256.349 3.879 30 20 CHED CC(Cc1ccccc1Cl)=NO[C@H]1CCCCO1 1253646391 FQSQONVCGLQMTG-AWEZNQCLSA-N 267.756 3.802 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@]1(C)CC1(Cl)Cl 1339153171 NNGOBDDWFSTNRK-YPMHNXCESA-N 290.234 3.918 30 20 CHED C[C@H](CC#N)NC(=O)Nc1nc(C2CCCCC2)cs1 1333069722 CAMNSHJKOVBXOI-SNVBAGLBSA-N 292.408 3.614 30 20 CHED Cc1ccc(SCc2nnc(C3(C#N)CCC3)o2)cc1 1331863414 GNVHBFLSUKCBDR-UHFFFAOYSA-N 285.372 3.616 30 20 CHED Fc1cncnc1NN=CC1CCC(c2ccccc2)CC1 1330190383 GKHPUFNTKMETMF-UHFFFAOYSA-N 298.365 3.987 30 20 CHED C=C1CCC(C(=O)NCCCCN2CCCC[C@@H]2C)CC1 1334734388 GPNLWMLZNSELKX-INIZCTEOSA-N 292.467 3.504 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@@H](C)c1ccncc1 1336215146 CAQWLOGCCRWWNX-ZBFHGGJFSA-N 272.392 3.532 30 20 CHED C=C(C)CCC(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1 1338927888 ZQCSNILTEJUJLH-OAHLLOKOSA-N 289.419 3.689 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](c2ccccc2)C(C)C)n1 1333534205 PFXVWORTJXGFFR-KRWDZBQOSA-N 293.370 3.640 30 20 CHED C=CC1CCN(C(=O)CCCCc2cccc(O)c2)CC1 1263730185 QHIWYRSLXGGXIP-UHFFFAOYSA-N 287.403 3.530 30 20 CHED Cc1cc(N[C@H](C)CC(C)(C)C#N)ccc1N1CCCC1=O 1342777645 DFYQQKPZEFWPCA-CQSZACIVSA-N 299.418 3.862 30 20 CHED Cc1ccsc1-c1nnc(-c2ccc(C#N)cc2)o1 1341532025 OMKHWDJKVGUXPD-UHFFFAOYSA-N 267.313 3.645 30 20 CHED CCOCCCC(=O)O[C@@H](c1cccs1)[C@H](C#N)CC 1345106627 VMFFXVVLBSZGEY-SWLSCSKDSA-N 295.404 3.699 30 20 CHED N#CC[C@@H](Cc1nnc(C2CCCC2)o1)c1ccccc1 1261431570 GMISMZYFCWSZGR-HNNXBMFYSA-N 281.359 3.967 30 20 CHED C=C(CC)C(=O)Nc1cccc(OCC(F)(F)F)c1 1346273522 RGZUBDASECOHKC-UHFFFAOYSA-N 273.254 3.532 30 20 CHED N#Cc1cc(C(=O)OC[C@H]2CCCC(F)(F)C2)cs1 1263476309 PDYQTOYTZKZJEC-VIFPVBQESA-N 285.315 3.602 30 20 CHED N#C[C@H](C(=O)c1ccc2sccc2c1)c1cccc(F)n1 1343312611 OZZVXXJHRPAWRX-LBPRGKRZSA-N 296.326 3.925 30 20 CHED CC1CC(C#N)(C(=O)OCC[C@@H]2CCc3ccccc32)C1 1350055237 XKCBMAIRCIGJKA-DBQDNQAGSA-N 283.371 3.590 30 20 CHED Cc1cc([C@H](C)NC(=O)[C@H](CC#N)c2ccccc2)c(C)o1 1351824592 OMQUWJFRKLKHQZ-XJKSGUPXSA-N 296.370 3.771 30 20 CHED CSc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1 105668517 OWVNGNZQLDTUNT-UHFFFAOYSA-N 265.341 3.823 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCSC1 224458370 KKVJUDBPTWDFNQ-SECBINFHSA-N 286.322 3.742 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1518678150 MPZLEVSQZAZGON-AEFFLSMTSA-N 298.430 3.969 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CC[C@@H](C2CC2)C1 1458266062 XMWDDLDZOHEWHX-GFCCVEGCSA-N 297.789 3.996 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2F)cc1 1458468887 UNVKJVCLLQDJIH-GFCCVEGCSA-N 296.345 3.751 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCC2CCCCC2)C1 1528079662 CVXNXNBQEVGICY-GJZGRUSLSA-N 263.381 3.972 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 1460867593 ZNCIRIGGGOZFAK-ZWKOTPCHSA-N 290.366 3.917 30 20 CHED Cc1cc([C@H](C)N[C@H](C)c2cccc(C#N)c2)oc1C(=O)O 1607609419 JCRNISMPNNEVHY-NEPJUHHUSA-N 298.342 3.570 30 20 CHED C=C(Cl)CNCc1csc(-c2ccc(C)cc2)n1 1474018602 XCMMYIIKDSGPKC-UHFFFAOYSA-N 278.808 3.961 30 20 CHED Cc1cccc2c1CCN2C(=O)Nc1cccc(CC#N)c1 1476610408 MGJQCNNGRZZCSB-UHFFFAOYSA-N 291.354 3.656 30 20 CHED Cc1cccc([C@@H]2CCN(CCc3ccc(C#N)cc3)C2)c1 1617153308 BKRMAMYKCWMZGL-HXUWFJFHSA-N 290.410 3.899 30 20 CHED CCCOc1cc(C)ccc1NCc1ccc(C#N)o1 119865437 YYBBHKADNLGBTC-UHFFFAOYSA-N 270.332 3.861 30 20 CHED CC(C)N(C(=O)c1cccc(CC#N)c1)c1cccc(F)c1 1618279864 WHZXMPMBQCMSQF-UHFFFAOYSA-N 296.345 3.947 30 20 CHED N#Cc1ccc(OCc2cccc(Cl)c2F)cc1 228019364 HCPWZFIABYMAHC-UHFFFAOYSA-N 261.683 3.930 30 20 CHED COc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2C)cc1C#N 1624700296 SSIXRVKASBWDPY-STQMWFEESA-N 286.375 3.722 30 20 CHED CC[C@@]1(C)CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1629922457 SGUMACAXMDJCJR-AEFFLSMTSA-N 284.403 3.723 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1cccc(C#N)c1 1563421709 IJEUVPMMFCUORL-DLBZAZTESA-N 299.418 3.574 30 20 CHED N#Cc1cccc(C#N)c1NCC1(c2ccccc2)CCC1 1642018617 PJXZUGPYHJWWSN-UHFFFAOYSA-N 287.366 3.964 30 20 CHED N#CC1(CNCc2cccc3ccccc23)CCC1 258931757 OQBUONNZIFSXIR-UHFFFAOYSA-N 250.345 3.623 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)n1 1657505272 LQYKQYHCWAZLDR-FPXQBCRKSA-N 295.430 3.744 30 20 CHED CCO[C@@H]1C[C@@H](Nc2ccc(C#N)c(C)n2)C1(CC)CC 1650800947 CYQHCDARIOJIAX-HUUCEWRRSA-N 287.407 3.657 30 20 CHED Cc1cnc(SCc2ccc(C#N)s2)c(C)c1 1652958113 SMVOMRKKDBVXMD-UHFFFAOYSA-N 260.387 3.924 30 20 CHED CCCCCCCCNCc1ccc(C(=O)O)cc1F 1595704710 WYTJDYRRHBZSHP-UHFFFAOYSA-N 281.371 3.974 30 20 CHED C=C1CC(N(C)Cc2c(C(=O)O)sc3ccccc23)C1 1776145177 AOWBQQVJQMWZKD-UHFFFAOYSA-N 287.384 3.750 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(=O)O)cc2)ccc1F 1777418496 OGOUQTCCULDAPR-WTKPLQERSA-N 284.286 3.728 30 20 CHED CCC(=NNc1ccccc1C(=O)O)c1cccc(C)c1 1776030595 VAZRSQIHKJTVIC-UHFFFAOYSA-N 282.343 3.919 30 20 CHED C=C(C)CCCN1CCCC[C@@H]1c1ccc(C(=O)O)n1C 1776139213 OXLYGMASSFWDES-OAHLLOKOSA-N 290.407 3.607 30 20 CHED C=CCc1ccccc1CNCCC(C)(C)CCC(=O)O 1776188743 IXUVHJVETYRENB-UHFFFAOYSA-N 289.419 3.786 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1cccc(C(=O)O)c1)C2 1777455730 RQTUBZDSNSMTDA-DHDCSXOGSA-N 278.307 3.516 30 20 CHED CCc1nnc(NC2CCCCCC2)c(C#N)c1CC 124899270 NJAGCBNDEIXVAR-UHFFFAOYSA-N 272.396 3.608 30 20 CHED CCC[C@@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 158659523 IRAQRBIXUWMZPU-GFCCVEGCSA-N 290.794 3.864 30 20 CHED N#Cc1ccc(Cl)cc1N[C@H]1CCO[C@H](C2CC2)C1 160349945 OGKRTDVPASYXIS-ZFWWWQNUSA-N 276.767 3.581 30 20 CHED Cc1ccc(SCC(=O)c2cccc(C#N)c2)cc1 160532964 CIELJAQQUDMFEH-UHFFFAOYSA-N 267.353 3.842 30 20 CHED C=C(C)CNC(=O)Nc1ccc(-c2csc(C)n2)cc1 156268818 WNWYCQFXDIHRRY-UHFFFAOYSA-N 287.388 3.816 30 20 CHED N#Cc1csc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 157379616 FXHSVXPXARLULE-NVXWUHKLSA-N 298.411 3.630 30 20 CHED N#Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)[nH]1 159384618 AQFFADHLDSQGNT-QGZVFWFLSA-N 293.370 3.644 30 20 CHED C=C(Br)CN[C@H](C)c1ccc(F)cc1F 125047664 QDAKGRZGNZTLHP-MRVPVSSYSA-N 276.124 3.524 30 20 CHED N#Cc1ccc(C(=O)CSc2ccc(F)cc2)cc1 18958457 WWUWQWNRUOXCEN-UHFFFAOYSA-N 271.316 3.672 30 20 CHED C[C@H](NCCCCC(F)(F)F)c1cccc(C#N)c1 148773305 QTJFXLMSDPJOCJ-NSHDSACASA-N 270.298 3.941 30 20 CHED N#CCc1ccc(N[C@@H]2CCc3ccccc3C2)cc1 37301947 DKBCIGKBUVOMAS-GOSISDBHSA-N 262.356 3.722 30 20 CHED CC1(C)CCC(C(=O)NC2(C#N)CCCCC2)CC1 178463993 XQUBJYGMINYSSE-UHFFFAOYSA-N 262.397 3.545 30 20 CHED N#Cc1cc2ccccc2nc1NC[C@H]1CC=CCC1 71389986 RRFCWHOBBSOKIT-ZDUSSCGKSA-N 263.344 3.875 30 20 CHED C[C@H]1CCCCN(c2ccc(C#N)c(Br)c2)C1 703187514 KMQCCLVTWBMBFT-NSHDSACASA-N 293.208 3.947 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(Br)c1 488828679 CGFHKGSEAXTVJT-ZDUSSCGKSA-N 294.192 3.630 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H](OC2CCC2)C1 594025913 BDPUAUSOWNCRPP-INIZCTEOSA-N 278.440 3.740 30 20 CHED C[C@H](CNCc1cccc(C#N)c1)C1CCCCC1 381883615 PCPNXPILRAIARX-CQSZACIVSA-N 256.393 3.864 30 20 CHED CCC[C@H](CNc1ccc(C#N)cc1Br)OC 382339145 JKBDQJGTSLKRID-LLVKDONJSA-N 297.196 3.548 30 20 CHED C=CC(C)(C)CNCc1cc2cccc(OC)c2o1 384864179 PCGDVZSLAIVOEA-UHFFFAOYSA-N 259.349 3.743 30 20 CHED CCN(Cc1ccc(CC#N)cc1)c1ccc(F)cc1 399120382 OULNSCQOHVPOOY-UHFFFAOYSA-N 268.335 3.918 30 20 CHED C#CCN(Cc1ccccc1)Cc1cccc2cccnc12 796633043 QHBUTBFQVSENRH-UHFFFAOYSA-N 286.378 3.870 30 20 CHED COc1ccccc1C(C)(C)NCc1ccc(F)cc1C#N 103483642 XBZOZXOFVOBATI-UHFFFAOYSA-N 298.361 3.731 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1ccccc1C#N 51704110 DCGLZYQXCBTPHF-UHFFFAOYSA-N 280.371 3.589 30 20 CHED N#Cc1ccc(N2CCC(=Cc3cccc(F)c3)CC2)nc1 52427143 GMACAPJBJYBMLC-UHFFFAOYSA-N 293.345 3.776 30 20 CHED Cc1nc(-c2ccc(NC(=O)C(C)(C)C#N)cc2)cs1 55050493 FTNUFNDBWGBPHD-UHFFFAOYSA-N 285.372 3.607 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCc3c(Cl)cccc32)cc1 55711744 SXLBWTRUMPNRQK-MRXNPFEDSA-N 296.757 3.629 30 20 CHED CSc1ccsc1C(=O)Nc1sccc1C#N 107087698 MPYPKCPCPKHPGG-UHFFFAOYSA-N 280.399 3.655 30 20 CHED N#Cc1ccc(OCCCOc2c(F)cccc2F)cc1 106780738 GBQAVLYQFMNDTO-UHFFFAOYSA-N 289.281 3.684 30 20 CHED N#CC1CCN(Cc2c(Cl)ccc3cccnc23)CC1 57875708 ZFRPKUNUWWUWQR-UHFFFAOYSA-N 285.778 3.624 30 20 CHED CCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 114873851 VWGZYSHESORNLN-LBPRGKRZSA-N 274.364 3.876 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H]2CCCC[C@H]2C1 178534582 AGCDNSGEGNNZIU-GASCZTMLSA-N 283.375 3.521 30 20 CHED O=C(/C=C/c1cccc(Br)c1)c1ccncc1 116046286 QZHJPFDMRRNUBY-SNAWJCMRSA-N 288.144 3.740 30 20 CHED C=CCCCC(=O)O[C@H](C)c1nc2ccccc2n1C 175911388 FSDXZXYCFUGLBM-GFCCVEGCSA-N 272.348 3.534 30 20 CHED C=C(C)COc1cccc(NC(=O)NCC2CCC2)c1 67319853 DNMAUNSTSZBSMK-UHFFFAOYSA-N 274.364 3.563 30 20 CHED C=CCCCS[C@H](C)C(=O)NCCc1ccc(F)cc1 117944612 SXOYVQORMZMTIA-CYBMUJFWSA-N 295.423 3.572 30 20 CHED CCCCN1CCC(Nc2cc(Cl)ccc2C#N)CC1 301360335 LSWGFGWHYPMVAL-UHFFFAOYSA-N 291.826 3.888 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C/c2ccccc2O)C1 176413634 NTAOGBVMDBFOOT-DWSHKFMRSA-N 263.406 3.875 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C[C@H](C)c1ccccc1C 1345645915 CBHBRLBIMHKJID-GOEBONIOSA-N 295.386 3.582 30 20 CHED C=CCOc1ccc(Oc2ccc(C(F)(F)F)nn2)cc1 301960332 HNMXOMRSKWGLBK-UHFFFAOYSA-N 296.248 3.853 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)no1 61049832 KJUAJCSSLWKMTA-UHFFFAOYSA-N 296.779 3.526 30 20 CHED C=CC1CCN(c2nc(C(F)F)nc3ccccc23)CC1 110595480 GTDJLEIKOQTGKQ-UHFFFAOYSA-N 289.329 3.970 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccco1 66802108 FAFBPMKNFRJFLN-NSHDSACASA-N 286.356 3.926 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCCc1cccc(O)c1 1347544364 NTLTXRPFRXTPFO-OAHLLOKOSA-N 275.392 3.576 30 20 CHED C[C@@]1(CNc2c(Cl)cccc2C#N)CCCS1 301654021 ULALLJNZJYVPCR-ZDUSSCGKSA-N 266.797 3.909 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccc(C#N)c1 301109591 SUQXMGMGENRVCF-LLVKDONJSA-N 292.298 3.511 30 20 CHED C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCCCC#N 61725779 DUOACYLZMVMOHI-ZDUSSCGKSA-N 289.375 3.598 30 20 CHED CCOc1ccc(Nc2c(C#N)cccc2C#N)cc1OC 302770133 BCNBSKQJQUMIPB-UHFFFAOYSA-N 293.326 3.581 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc2ccccc2c1O 186186058 XRTYSKMFXIKWJY-AWEZNQCLSA-N 285.387 3.789 30 20 CHED O=C(/C=C/c1ccsc1)c1cc(F)cc(F)c1 126517382 NEJGZEAFXSCTFE-OWOJBTEDSA-N 250.269 3.922 30 20 CHED CC(C)COc1ccc([C@H](C)NCCCC#N)cc1 181408003 OHBKMENPDOEHRD-AWEZNQCLSA-N 260.381 3.676 30 20 CHED C=CCCCC(=O)N1CC=C(c2cccc(C)c2)CC1 180473154 HICWOWRQRCVVCK-UHFFFAOYSA-N 269.388 3.967 30 20 CHED CC[C@H](CC1CCCC1)C(=O)NCc1ccc(C#N)cc1 74435488 NZIJYKYIGLTXOH-QGZVFWFLSA-N 284.403 3.781 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](C)CC=C)c1ccccc1 189651732 GAGVCWNKKOCKSO-GOEBONIOSA-N 257.377 3.817 30 20 CHED Cc1noc(C)c1C(C)(C)NCCC1(C#N)CCCCC1 411734166 XFKDKUUYKLYYKX-UHFFFAOYSA-N 289.423 3.980 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cccc(O)c1OC 414530660 DZJGNYLPKYBCQH-KRWDZBQOSA-N 297.398 3.678 30 20 CHED N#Cc1c(F)cccc1NCC1([C@H](O)c2ccccc2)CC1 129896533 KYEYFGKPGXRMJV-QGZVFWFLSA-N 296.345 3.623 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(N(C)C(C)C)c1 181715683 MVCARRHCAZIFCW-UHFFFAOYSA-N 275.396 3.571 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 189578641 CKHZUKTVGYJZKO-IRXDYDNUSA-N 283.415 3.564 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)CCOc1ccccc1 410138609 GZBAJAXZHNANRW-HUUCEWRRSA-N 275.392 3.563 30 20 CHED N#Cc1cc(NC(=O)C[C@H]2C=CCCC2)ccc1Cl 487808863 DVPOVRRMSMOFIE-NSHDSACASA-N 274.751 3.897 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1c(F)cccc1Cl 185766274 CDXQOLRFWWMVTI-LLVKDONJSA-N 281.758 3.850 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 77621759 SHHMFFRJEWHCSM-NSHDSACASA-N 296.773 3.924 30 20 CHED COc1ccc(NCC2(CC#N)CC2)c(Br)c1 849315189 XLWVSTUVYAKBBY-UHFFFAOYSA-N 295.180 3.563 30 20 CHED C=CCC1(C(=O)N(C)c2ncccc2OC)CCCCC1 410614040 HLFPAQCONZCWBQ-UHFFFAOYSA-N 288.391 3.580 30 20 CHED C=C(C)CN(C)Cc1coc(-c2ccc(F)c(F)c2)n1 181292267 BQDMANZXSBHCAL-UHFFFAOYSA-N 278.302 3.628 30 20 CHED Cc1nnc(S[C@@H](C)c2cccc(C#N)c2)s1 189796280 ANSBTXTUSJZRHE-QMMMGPOBSA-N 261.375 3.572 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cccc(-c2nc(C)cs2)c1 120429865 QXXQINDRRCVTEK-INIZCTEOSA-N 299.399 3.541 30 20 CHED C=CCC[C@H](NCCCCN1CCC(C)CC1)C1CC1 120201345 LRSPYGATKPGNLN-SFHVURJKSA-N 278.484 3.833 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)c1ncc(C#N)cc1F 413304785 SRYWKNYXUKZZDX-MRXNPFEDSA-N 299.349 3.688 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1ccccc1SC 184086067 PLKLZFJKENXKFS-OCCSQVGLSA-N 262.422 3.621 30 20 CHED N#CCc1cccc(NCc2c[nH]nc2-c2ccccc2)c1 313433958 DLLJZEWHAYCLGH-UHFFFAOYSA-N 288.354 3.755 30 20 CHED N#CC1(CNCc2ccc(C(F)(F)F)s2)CCC1 418135658 BFZWMZSYZDXALT-UHFFFAOYSA-N 274.311 3.550 30 20 CHED C=C1CCN(C(=O)CCc2ccc(CC(C)C)cc2)CC1 503033382 NDIJKQNWFHCPLR-UHFFFAOYSA-N 285.431 3.996 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(c3c(F)cccc3F)CCC2)C1 414228101 DFZPKBOXCHGPMN-QWHCGFSZSA-N 290.357 3.668 30 20 CHED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CC#N 188137747 XJOTVKRIGOPGEU-GFCCVEGCSA-N 299.399 3.552 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC=C)CC=C 413828125 UJIZOGNMYCTBOU-KRWDZBQOSA-N 284.403 3.557 30 20 CHED Cc1csc(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c1C#N 410856428 FXGLVEGNWXIUJT-CKYFFXLPSA-N 276.405 3.939 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCCC(F)(F)C1 507880638 QIWWTEVVOJXDGH-QWHCGFSZSA-N 286.366 3.562 30 20 CHED C=C(C)[C@@H](NC(=O)CC[C@@H](C)OC)c1ccc(F)c(F)c1 186040969 ZIECWFIUYAVIAN-BDJLRTHQSA-N 297.345 3.513 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 181171818 BFDXHTAQVWJGQG-SJORKVTESA-N 286.419 3.615 30 20 CHED C#CCC(C)(C)C(=O)N(C)Cc1csc2ccccc12 185132688 FEJLTQFZHIWZFH-UHFFFAOYSA-N 285.412 3.909 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1cccc(OCC#N)c1 48516904 KPZTXKXNKUAWBR-CYBMUJFWSA-N 289.379 3.535 30 20 CHED N#CC1(CN2CCC[C@H]2Cc2cc(F)ccc2F)CCC1 419305871 XQIYSQTYKZZSLX-HNNXBMFYSA-N 290.357 3.666 30 20 CHED C[C@H](CCC(=O)N(CCC#N)CC1CC1)c1ccccc1 132793553 RJCBCYITCYKPBP-OAHLLOKOSA-N 284.403 3.723 30 20 CHED C=CCC[C@@H](NC(=O)[C@H]1CCCS1)c1ccccc1 133950065 DLQFEQYJRZXBSL-HUUCEWRRSA-N 275.417 3.706 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)OC[C@@H]2C)CCCCC1 410758347 AJQVJCAPISLELC-AWEZNQCLSA-N 279.424 3.539 30 20 CHED CCN(CCC#N)Cc1csc(CCc2ccccc2)n1 84678384 LUTMRTIISLSVOZ-UHFFFAOYSA-N 299.443 3.664 30 20 CHED C=CCC[C@H](NC(=O)N(C)C(C)C)c1ccccc1 131085440 HCCRRLULNSDXSL-HNNXBMFYSA-N 260.381 3.744 30 20 CHED CSc1ccc(OC(=O)c2cc(C#N)cs2)cc1 83938038 HJNBWVUNFRLIKI-UHFFFAOYSA-N 275.354 3.561 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2scnc2C2CC2)CCC1=O 329038551 SBJJUVWPQCRISH-WPRPVWTQSA-N 278.377 3.614 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1ccc(C#N)c(Br)c1 228187097 HJPQFCGPVZZZIU-RNCFNFMXSA-N 279.181 3.921 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1ccc(F)cc1C#N 609767153 SWHSJFNKPRLVKB-INIZCTEOSA-N 260.356 3.708 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)CCC#N)c(OC)c1 229674920 LCOFGNJLEAQMPF-CYBMUJFWSA-N 290.407 3.684 30 20 CHED Cc1ccc(C(C)(C)CN[C@H]2CC[C@@H](C#N)C2)c(C)c1 426306215 FMMBSJUSCRGBHK-CVEARBPZSA-N 270.420 3.863 30 20 CHED C=CCOCC(=O)N(C1CCCC1)[C@@H](C)c1ccccc1 425573211 AAPLJMDWWACKNI-HNNXBMFYSA-N 287.403 3.721 30 20 CHED Cc1cccnc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 426103023 UFSVVJQANMJKSL-UHFFFAOYSA-N 293.370 3.565 30 20 CHED Cc1cc(/C(O)=N/[C@@H]2CCC(C)(C)c3ccccc32)cnn1 329916935 ZBYNCFRNUBQCAD-MRXNPFEDSA-N 295.386 3.902 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 426023870 QDOHRRWNMOWGCH-CYBMUJFWSA-N 294.354 3.988 30 20 CHED CCC[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 84071494 ISZGJPXWOFNELH-CQSZACIVSA-N 284.384 3.891 30 20 CHED C=CCCC[C@H](C)N[C@H]1CCc2cccnc2CC1 421835403 MLDZZSZKGBFSJH-HOCLYGCPSA-N 258.409 3.663 30 20 CHED C[C@H]1CC(C(O)=Nc2ncc(C3CC3)[nH]2)C[C@H](C)C1 329298136 LHJKYEHDINKWQM-NXEZZACHSA-N 261.369 3.947 30 20 CHED CC#CCCCC(=O)Nc1ccc(N2C[C@@H]3CC[C@@H]2C3)cc1 191733860 XTLBJPRQWBCHEC-CRAIPNDOSA-N 296.414 3.807 30 20 CHED CC(C)[C@@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424206585 WWLNCKSHVCNKGG-USXIJHARSA-N 256.393 3.708 30 20 CHED CC(C)(C)c1nnc(C/N=C(/O)CCC2CCC2)s1 329799725 HRZQGKSUIACYHY-UHFFFAOYSA-N 281.425 3.872 30 20 CHED C#CCCCC(=O)N[C@@H](CC(C)C)c1ccccc1OC 192365577 ASUWIPNXUVOYGQ-INIZCTEOSA-N 287.403 3.702 30 20 CHED C=CCOCCCc1nc(-c2occc2C(C)C)no1 426211969 FHDUUBHJSARIOX-UHFFFAOYSA-N 276.336 3.588 30 20 CHED C#CCOCCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 89359887 YGAWBRJGZOXVIH-GOSISDBHSA-N 299.414 3.513 30 20 CHED COc1cccc(/C=C/C(=O)c2cccs2)c1F 195501854 YGEWECAGQUBZIQ-BQYQJAHWSA-N 262.305 3.792 30 20 CHED CC#CCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 511612821 WDMWVBZJGOOGCH-CQSZACIVSA-N 283.293 3.649 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CC23CCCCC3)c1 514718078 MDUDBNRFTYIKST-GVDBMIGSSA-N 294.398 3.501 30 20 CHED COc1cccc(/C=C/C(=O)c2occc2C)c1F 195503048 UUKZRMGYXCWSKT-VOTSOKGWSA-N 260.264 3.632 30 20 CHED CCCCOc1ccc(NC(=O)C(C)(C)C#N)c(C)c1 194802589 KWTXGXAJVVANNB-UHFFFAOYSA-N 274.364 3.662 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C)c1ccccc1 337109710 VAOQKPHNJOZNIK-NXNVCVFFSA-N 287.403 3.624 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(F)cc1 97053682 GSNDBVFSTSTLMX-GFCCVEGCSA-N 281.396 3.731 30 20 CHED N#CCC[C@@H](NCc1nc2c(s1)CCC2)c1ccccc1 93109614 ANXNVXADCXSJDF-CQSZACIVSA-N 297.427 3.766 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)N1CCC(CC#N)CC1 336183906 DIRLJGSJZLQMJL-UHFFFAOYSA-N 296.374 3.634 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(CC(C)(C)C)nn1C 424658601 GWRPMLZLPCASSR-UHFFFAOYSA-N 277.412 3.550 30 20 CHED CC1(C)CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 510066675 RZZIACMVWXDDDB-LLVKDONJSA-N 291.782 3.912 30 20 CHED CC(C)CC1(C(=O)N2CCc3ccc(C#N)cc32)CCC1 339814465 RPNDZFIOCQPIEZ-UHFFFAOYSA-N 282.387 3.664 30 20 CHED CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2C#N)c2ccccc21 331707073 DFMIKGYFJUOJTH-VNQPRFMTSA-N 297.402 3.648 30 20 CHED CCc1cc(/C(O)=N/[C@@H]2CCCC[C@@H]2CC)cc(O)n1 330718437 ASXQPBUSGZNJDS-SMDDNHRTSA-N 276.380 3.623 30 20 CHED CC1(C)CCc2ccccc2[C@H](NC(=O)C(C)(C)C#N)C1 331393895 FBMLGFFSTRVEET-OAHLLOKOSA-N 284.403 3.756 30 20 CHED CCN(Cc1cccs1)c1nccc(C#N)c1Cl 233465749 AOPYQBWRMJMZNA-UHFFFAOYSA-N 277.780 3.695 30 20 CHED Cc1cc(OCCC[C@@H](C)NCCC#N)ccc1Cl 338959916 YQXHDHGYMVACRW-CYBMUJFWSA-N 280.799 3.699 30 20 CHED Cc1ccc(C#N)c(NCc2ccc(C(C)(F)F)cc2)n1 432137976 HNWAJRKYUBMWHT-UHFFFAOYSA-N 287.313 3.986 30 20 CHED Cc1cc(C)cc(C[C@H](C)NCc2cc(C#N)cs2)c1 237522815 GTFFDXBLBCAUBX-AWEZNQCLSA-N 284.428 3.957 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1C[C@@H]1C(F)F 348253788 FLYGHIIBZDCBEL-SOUVJXGZSA-N 276.330 3.569 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(C(C)=O)c2)n1 521886734 JLPQJFDGMUXDGF-UHFFFAOYSA-N 270.332 3.793 30 20 CHED C[C@H](CCC#N)CN1Cc2ccccc2OC(C)(C)C1 602663995 MXGRGLROIHHSMV-CQSZACIVSA-N 272.392 3.599 30 20 CHED N#Cc1ccc(CNc2ccc3ncccc3c2)c(F)c1 347910238 JOKFFHDVYFEQBB-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 609345672 JMHZRGWRUKLRHA-ZTFGCOKTSA-N 292.382 3.752 30 20 CHED COc1ccccc1C[C@H](NC[C@@H](C)CCC#N)C(C)C 602574361 ZHHRHGLSBCKLLJ-RDJZCZTQSA-N 288.435 3.792 30 20 CHED COc1ccc2ccccc2c1CNCC1(CC#N)CC1 430072545 SGPBWMYVBHEABN-UHFFFAOYSA-N 280.371 3.632 30 20 CHED CC[C@H](CC#N)N[C@H]1CCC[C@H]1Cc1ccccc1 248692752 BNCHJAROONREOX-BBWFWOEESA-N 256.393 3.680 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1ccccc1 344367708 NAUYMXAJOZMQMI-OIISXLGYSA-N 299.414 3.815 30 20 CHED CC[C@@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccccc1 603501072 GHOVTFQNVSQDQQ-HNNXBMFYSA-N 293.370 3.874 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1cccc(Cl)c1F 255377971 MAPBNASECSPTTB-FPLPWBNLSA-N 292.741 3.726 30 20 CHED COc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 341758490 PVLHSVWIRKTPKF-LJQANCHMSA-N 292.382 3.734 30 20 CHED O=C(/C=C\c1cccc(Cl)c1F)c1cncc(F)c1 255206361 CZLCOLKPJAVFCO-PLNGDYQASA-N 279.673 3.909 30 20 CHED O=C(/C=C\c1csc(-c2ccsc2)n1)c1cnccn1 255562810 SKGFBTZFXPNHCI-UPHRSURJSA-N 299.380 3.558 30 20 CHED CCO[C@@H]1C[C@H](NC[C@H](C)CCC#N)C12CCCCC2 602546712 KNCSSFBUKQLQDS-OWCLPIDISA-N 278.440 3.644 30 20 CHED CC[C@](C)(C#N)NC(=O)CCc1ccc2ccccc2c1 523354563 HQFXOCJXRUFKCG-GOSISDBHSA-N 280.371 3.581 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cccnc2)cc1C 255077320 SQGVCXNIDFUZKO-SREVYHEPSA-N 251.329 3.903 30 20 CHED CC(C)(C)c1ccc(OCCNc2cccc(C#N)n2)cc1 522932715 HHDXKMDZPXOMPI-UHFFFAOYSA-N 295.386 3.742 30 20 CHED CC[C@H](C)[C@H](C)N(CCOc1ccc(C#N)cc1)C1CC1 609204232 BJUAMXGSJGWVJN-GJZGRUSLSA-N 286.419 3.836 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(C1CCC(CC)CC1)C1CC1 448781621 BPUSBLPVICOVNL-MMADZMRASA-N 291.435 3.537 30 20 CHED C=CCC[C@H](CC)NC[C@@H]1CCOC2(CCC2)C1 449474171 CVPNDVLLUYRXAB-CABCVRRESA-N 251.414 3.670 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(-n2ccnc2C)cc1 359532810 WEHKZLQZACKOED-CQSZACIVSA-N 269.392 3.798 30 20 CHED C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCCSCC#N 354827155 GNLNBFZSUDDDFZ-CHWSQXEVSA-N 292.423 3.780 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H](CCc2ccccc2)C(F)(F)F)C1 442821703 BYQVFPXMVDHGCP-RBSFLKMASA-N 296.336 3.832 30 20 CHED Cc1ccc(CN2CCCC2)cc1N[C@H]1CC[C@H](C#N)C1 442857771 NVBLKWYELPVOBZ-RDJZCZTQSA-N 283.419 3.695 30 20 CHED C=CCCNc1cccc2c1CN(c1ccccn1)C2 350514721 MWKCFUPEZMCXCH-UHFFFAOYSA-N 265.360 3.590 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1NC1CCC(C)(C#N)CC1 449258583 QDUWNSSDFQYVRA-GMRIPVOYSA-N 278.440 3.642 30 20 CHED COc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1Cl 444723442 LAVKMERXXWSGTN-HNNXBMFYSA-N 292.810 3.863 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CSc3ccccc32)C1 447539543 HBDURTINCVIAHA-YRGRVCCFSA-N 258.390 3.505 30 20 CHED CC1(C)CCCN(C(=O)c2ccc3c(c2)CCC=C3)[C@@H]1C#N 355238089 DGDYCRFUKMGKTN-QGZVFWFLSA-N 294.398 3.800 30 20 CHED CCc1ncsc1NC(=O)C[C@@H](CC#N)c1ccccc1 356489764 OXOKGKUQOKNBRI-CYBMUJFWSA-N 299.399 3.732 30 20 CHED N#C[C@H]1CCC[C@@H](NCCOc2ccc(Cl)c(F)c2)C1 449485230 LJLYOXNHDPAVDO-NWDGAFQWSA-N 296.773 3.530 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc2cc[nH]c12 618742423 YNBXKEPESYQSQO-SFHVURJKSA-N 287.366 3.817 30 20 CHED C=CCn1c(C2CC2)nnc1N1C[C@H](C)c2ccccc21 350751852 IROGJDWWENRHCU-LBPRGKRZSA-N 280.375 3.597 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[C@@H](C)C1 444151423 UEAHHQBHNVQVKT-OLZOCXBDSA-N 278.421 3.634 30 20 CHED N#Cc1nc(NC(C2CC2)C2CC2)ccc1C(F)(F)F 443434742 INFPNACOIGPIRY-UHFFFAOYSA-N 281.281 3.573 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc3[nH]ncc23)CCCC1(C)C 444627867 BJXPFDAADIPELP-INIZCTEOSA-N 297.402 3.770 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccnn1[C@H](C)CC(C)C 360511818 NUDIKXMLPVHCRT-CHWSQXEVSA-N 278.400 3.576 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 611184106 FZKHRQJAXNOUST-QWHCGFSZSA-N 272.392 3.808 30 20 CHED C=CCCCC[C@H](C)N1CCC[C@H](CC(C)(C)C(N)=O)C1 453298008 ZTLVOSAODBTXBQ-JKSUJKDBSA-N 294.483 3.735 30 20 CHED Cc1ccnc(N2CC(C)(C)[C@H]2c2ccccc2)c1C#N 612072286 OKVRGDUKNUSDKP-MRXNPFEDSA-N 277.371 3.849 30 20 CHED C=C(C)CCNC(=O)Nc1nc(C(C)(C)C)cs1 454252228 RJBASELYCZAAAL-UHFFFAOYSA-N 267.398 3.528 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2ccc3c(c2)CCC3)no1 278155092 RUGPITIZUOBLAB-CYBMUJFWSA-N 298.386 3.803 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(C)c1Cl 276013919 BHLICWLUFAGFMU-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)CCCc1ccccc1 452721221 YYQRENZCTGLHIR-HNNXBMFYSA-N 259.393 3.728 30 20 CHED CC#CCCNC(=O)c1cccc(Nc2ccccc2)c1 541808576 ZICBUTRLTYOHSQ-UHFFFAOYSA-N 278.355 3.573 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCc2cccs2)c1 541577491 AZBKCFBKHNHQFV-UHFFFAOYSA-N 284.384 3.867 30 20 CHED CC[C@@H](C)N(C)CCN[C@H]1CCCCc2cc(C#N)ccc21 360828754 AHCOMGGGWCWRCV-BEFAXECRSA-N 299.462 3.646 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CC(C)C)c1ccccc1 362369315 FUGWMWHPCDFCSU-DZGCQCFKSA-N 260.381 3.648 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@H]1CCC[C@H]1c1ccccc1 452144775 HBNCBEHSKWFAGN-HOTGVXAUSA-N 284.403 3.578 30 20 CHED C=CCn1c(SCCC(=C)C)nnc1-c1ccccn1 274769740 UMHFJINMGMPXKO-UHFFFAOYSA-N 286.404 3.584 30 20 CHED C=C(C)CCNC(=O)Nc1ccnn1[C@@H](C)CC(C)C 455166588 XIZQSDBCZILWFC-ZDUSSCGKSA-N 278.400 3.578 30 20 CHED C=CCN1CCC(c2nc(C(F)(F)F)cs2)CC1 451292411 CYTDBSXKKLGDBQ-UHFFFAOYSA-N 276.327 3.527 30 20 CHED C=CCCC1(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1 360041657 YPNGNIPGRSDGQE-UHFFFAOYSA-N 284.281 3.785 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 455527609 VJOJAAAECRADHP-AWEZNQCLSA-N 260.381 3.664 30 20 CHED C=CC[C@@H](C(=O)NCC1=CCCCC1)c1ccccc1 452294408 WAWSKXKLXSFNPF-QGZVFWFLSA-N 269.388 3.963 30 20 CHED CCOc1ccc([C@H](CC)NCCCC#N)cc1OCC 273300270 UTMPMOASCVPVDR-HNNXBMFYSA-N 290.407 3.828 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(SC)cc1)OCC 270129926 OPCGOTLVDDPSTL-AWEZNQCLSA-N 279.405 3.718 30 20 CHED CS[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)C(C)(C)C 542500838 ZRLNSYQBRAEVGU-WFASDCNBSA-N 276.449 3.987 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1N(C)C 271817261 BVPSIBISRPXTOY-HNNXBMFYSA-N 293.414 3.784 30 20 CHED CCc1ccc(C(C)(C)C(=O)N[C@@H](C#N)C(C)(C)C)cc1 464705788 ADAVMEZTTQCVSL-HNNXBMFYSA-N 286.419 3.581 30 20 CHED C=CCOc1ccccc1CNC(=O)C(CC=C)CC=C 467317702 DOEKUTWLLSRMLI-UHFFFAOYSA-N 285.387 3.636 30 20 CHED Cc1cnc([C@H](C)CNc2ccc(C#N)cc2)s1 273191487 CVXGGBPNGBKZHA-SNVBAGLBSA-N 257.362 3.539 30 20 CHED C=CCN1CC[C@H](Nc2cccc(-c3cccs3)c2)C1=O 540808855 QMQYOLAICJLCIH-HNNXBMFYSA-N 298.411 3.614 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(Cl)c(C(F)(F)F)c1 271145857 XYAWQHUCRABRCU-VIFPVBQESA-N 290.716 3.950 30 20 CHED CS[C@H](CNc1ccc(C#N)cc1F)C(C)(C)C 541275868 CRNSOGZEIJWQRQ-CYBMUJFWSA-N 266.385 3.887 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@@H]1CC[C@@H](C)C1 468751994 ACJVLEPVEIGRDZ-HUUCEWRRSA-N 287.403 3.694 30 20 CHED CC[C@@H](C)CCC(=O)Nc1ccccc1O[C@@H](C)C#N 285786612 KNYXRTPHSNCGBG-OLZOCXBDSA-N 274.364 3.742 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@H]2CCCC[C@H]2C)no1 289064013 GKMGPKWZYOJXRI-DVOMOZLQSA-N 278.396 3.844 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1nc(CCC(C)C)no1 461542096 IEUDEROQPYMJLI-UHFFFAOYSA-N 299.374 3.726 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(C(=O)OCC)c1 467344314 PNFZXDBSLBNDFI-UHFFFAOYSA-N 287.359 3.570 30 20 CHED C=CC[C@@H]1N(Cc2cnc([C@H](C)O)s2)CCCC1(C)C 289850651 VKTLJYCVBJKOLW-JSGCOSHPSA-N 294.464 3.763 30 20 CHED CC(C)n1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)n1 280604941 YXFHOYHKMKDCOG-UHFFFAOYSA-N 296.374 3.517 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1ncc[nH]1)c1ccccc1 285930548 CXMHAPCFTUFWAC-DZGCQCFKSA-N 255.365 3.768 30 20 CHED COc1nc2ccccc2cc1/C=C\c1ccncc1C#N 552000983 DEBFXVCIVZBDQE-SREVYHEPSA-N 287.322 3.680 30 20 CHED CC(C)c1ccc2occ(C(=O)N[C@@H](C)CC#N)c2c1 287094755 VBRQUTWDXFTWEH-NSHDSACASA-N 270.332 3.588 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1 280079845 QZTNLLVJGAANHK-JXMROGBWSA-N 284.359 3.759 30 20 CHED C=C[C@@](C)(CCOC)c1nc(CC2CCCCC2)no1 288822326 BTXNZMMLZYPZER-INIZCTEOSA-N 278.396 3.673 30 20 CHED CC[C@](C)(C#N)c1nc(-c2cc3ccccc3o2)no1 285697566 ZXPOTCGPSLHMAP-OAHLLOKOSA-N 267.288 3.674 30 20 CHED C=CC[C@H](C)[C@@H](C)NCCOC1CCCCCC1 558009257 IERQQROUESPLTP-LSDHHAIUSA-N 253.430 3.916 30 20 CHED COc1ccc([C@H](C)NCCC(C)(C)C#N)c(C)c1OC 286945441 MDYICDAHAWGGPW-ZDUSSCGKSA-N 290.407 3.603 30 20 CHED C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCCOC1 388959734 WCJLMJXDNMARLX-CMPLNLGQSA-N 298.308 3.804 30 20 CHED CSc1ccccc1CN(C)[C@@H]1CC[C@@H](C#N)C1 294076874 KZZJCHTXVMUTKJ-TZMCWYRMSA-N 260.406 3.533 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cn(C)cn1)CCO2 800794435 GRDDAVWJDZFYKV-ZSOIEALJSA-N 296.370 3.592 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](c1cccnc1)C(C)C 292869475 RUWQDKLSJUDAAO-HNNXBMFYSA-N 274.408 3.540 30 20 CHED C#CC[C@H](NC(=O)Nc1c(C)ccnc1C)c1ccccc1 806538230 AENZIPUGRZHQGX-INIZCTEOSA-N 293.370 3.585 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)cc1-n1cccn1 472681223 ZVTCZBXWVFQHHV-UHFFFAOYSA-N 289.766 3.821 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 701316014 JUHFRUBMPJJBSW-WSNITJDQSA-N 297.185 3.815 30 20 CHED C=C[C@@](C)(CC)C(=O)OC[C@H](OC)c1ccccc1 801861097 POORMENDLIYXCD-HOCLYGCPSA-N 262.349 3.520 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 474192600 LEFQUFIGMFYYNN-NSHDSACASA-N 279.330 3.888 30 20 CHED N#CCCCCOC(=O)c1ccccc1Oc1ccncc1 801501776 PKOHJPRAVXSLMN-UHFFFAOYSA-N 296.326 3.725 30 20 CHED N#CCCCC(=O)NC1(c2c(Cl)cccc2Cl)CC1 291844666 FWJSOUPJUDXABC-UHFFFAOYSA-N 297.185 3.793 30 20 CHED Cc1ccc(CO)cc1NCc1ccccc1C(C)(C)C#N 297535084 DRQBHLUTEBKMNI-UHFFFAOYSA-N 294.398 3.901 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)CCCC#N 292230801 IVPDNQZLHKCLBF-UHFFFAOYSA-N 258.365 3.752 30 20 CHED C=C(C)CN(CC)C(=O)NC1CCC(C(C)C)CC1 479603469 DEGXYWQGRVBMAS-UHFFFAOYSA-N 266.429 3.809 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(NC(=O)C(C)C)c1 292692396 NOSNMUKOYSQPTQ-UHFFFAOYSA-N 288.391 3.822 30 20 CHED CC(C)[C@H]1CN(Cc2ccc(C#N)cn2)c2ccccc21 566017350 OLTLBJRRUNJBFD-QGZVFWFLSA-N 277.371 3.713 30 20 CHED C=CCCCCNC(=O)C(C)(C)Oc1cccc(Cl)c1 471706063 NEXMPHFDPNSHFA-UHFFFAOYSA-N 295.810 3.970 30 20 CHED N#Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c(Cl)c1 297885518 RSFCHWHMLRVVAP-MRXNPFEDSA-N 299.761 3.624 30 20 CHED CC#CCCCc1nc(C2(c3cc(F)ccc3C)CC2)no1 563778461 TVAIOUADKJLMLM-UHFFFAOYSA-N 298.361 3.943 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H]1CC12CCCC2 474394194 ORDLFHFTAGPDNI-QGZVFWFLSA-N 283.415 3.824 30 20 CHED C=C(C)CS[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 477011089 LDUYYNWLJNPYJL-CYBMUJFWSA-N 281.808 3.755 30 20 CHED C=CCC[C@@H](NCC(C)(C)[C@@H](O)C(C)C)c1ccco1 560544983 RVXXBUGJUHWDBB-ZBFHGGJFSA-N 279.424 3.920 30 20 CHED C#Cc1ccc(CN(C)Cc2nc3ccccc3s2)cc1 809540769 HODNXVMSJIFUAC-UHFFFAOYSA-N 292.407 3.910 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@]1(C)C(C)C 476086301 VHUJQHDRCWITIV-HKUYNNGSSA-N 298.430 3.979 30 20 CHED Cc1cccc(OCCNC2(c3cccc(C#N)c3)CC2)c1 560175577 QZSPYOHBTINDJY-UHFFFAOYSA-N 292.382 3.524 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C(=O)c1ccccc1)C(C)C 815310801 LKSJGCCJSDUCPQ-AWEZNQCLSA-N 296.313 3.649 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnc(Cl)c(C)c1 819343647 PGVMRHVVYFHYFQ-UHFFFAOYSA-N 252.745 3.584 30 20 CHED C=CCC(F)(F)C(=O)N(CC)c1ccc(Cl)cc1 814970394 MLXGGYDJWMVGPK-UHFFFAOYSA-N 273.710 3.904 30 20 CHED COCC(=NOCCC1CC1)c1cccc(Cl)c1 814941322 FYJGPMYELDQILC-UHFFFAOYSA-N 267.756 3.507 30 20 CHED COc1cc(Cl)c(C)cc1NC[C@@H](C#N)CCC#N 564857158 JHTJENBNOZOFLG-LLVKDONJSA-N 277.755 3.512 30 20 CHED C=CCCCCOC(=O)C(C)(C)Oc1ccc(C#N)cc1 811011050 LYJLXFQIJXFNGN-UHFFFAOYSA-N 287.359 3.615 30 20 CHED Cn1ccnc1NN=C1CCCC[C@H]1C1=CCCCC1 814918243 HZIZRVXHKIGGQY-AWEZNQCLSA-N 272.396 3.879 30 20 CHED CC(=NOCCC1CC1)c1cnn(-c2ccccc2)c1C 814246222 WPZYLKRSPJDUAI-UHFFFAOYSA-N 283.375 3.721 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](CC)Nc1ccccc1 489975985 DVSIDIGURNFAJS-OAHLLOKOSA-N 274.408 3.596 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)Sc1ccccc1 489934953 NFLSJPGSRCCCPU-ZDUSSCGKSA-N 277.433 3.886 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(Cl)n2)n1 815707571 GCXLRMDETFDTHV-UHFFFAOYSA-N 263.728 3.639 30 20 CHED Fc1cccc(Br)c1C=NOC/C=C\Cl 811672228 UAKMJIFWQBNFOJ-SJUYUPISSA-N 292.535 3.691 30 20 CHED C=C(C)C(C)(C)c1nc(C2(c3ccncc3)CCC2)no1 656035524 KXGAOILOGLGUHJ-UHFFFAOYSA-N 283.375 3.788 30 20 CHED C[C@H]1SCCC1=NNc1cccc(Cl)c1F 814818748 HMGNKJFSULMXRZ-SSDOTTSWSA-N 258.749 3.772 30 20 CHED CCCN(Cc1ccc(C)cc1)Cc1ccc(C#N)cn1 574530275 WERUTCRHJPTBLI-UHFFFAOYSA-N 279.387 3.674 30 20 CHED C=C[C@@H]1CCCCN1c1ccc2ccc(F)cc2n1 486489366 SMWBEBXOYWDLJN-CQSZACIVSA-N 256.324 3.919 30 20 CHED CC(C)[C@H]1CCC1=NNc1ccc(Cl)c(C(=O)O)c1 814689862 JDYYNSSMZFCSAU-SNVBAGLBSA-N 280.755 3.872 30 20 CHED Cc1ccccc1C[C@@H]1CCCN1c1ccc(C#N)c(C)n1 488065643 CRDNDRGOFNCCOH-SFHVURJKSA-N 291.398 3.782 30 20 CHED CC(C)(C)c1cnc(C=NNc2ccccc2)s1 814684077 CHWAEHQXELPCHE-UHFFFAOYSA-N 259.378 3.887 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(C#N)cc1OC 576636016 JJAGVIZYYJVLNJ-RYUDHWBXSA-N 289.379 3.513 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1ccccn1 726428812 FZTGVYAKOKTKKE-UHFFFAOYSA-N 277.274 3.519 30 20 CHED Cc1cccc2c1CC[C@@H]2/N=C\c1cccc(O)c1O 729641446 IOBNPMFITFOHKX-PACYTGELSA-N 267.328 3.513 30 20 CHED N#CCn1c(C(=O)Oc2cccc(F)c2)cc2ccccc21 729304902 LXGSPZZPVLOOHF-UHFFFAOYSA-N 294.285 3.523 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc2c(s1)CCCC2 573060823 YNVGUGKMXBTHLO-UHFFFAOYSA-N 277.433 3.845 30 20 CHED CCCCCCC[C@H](C)NCc1nc(C2CC2)n[nH]1 824602972 JWCXPSZVTLWZDG-LBPRGKRZSA-N 264.417 3.521 30 20 CHED C=CCC1(NC(=O)Nc2cnn(C(C)(C)C)c2)CCCC1 821445379 WYXBUZDBQARALR-UHFFFAOYSA-N 290.411 3.649 30 20 CHED C#C[C@H](CCC)NC(=O)c1cccc(-c2ccccn2)c1C 491639283 YRJTZFWVZPQGHB-OAHLLOKOSA-N 292.382 3.589 30 20 CHED CC(C)c1cccc(N[C@@H](C(=O)O)c2cccc(C#N)c2)c1 827134312 QNUVOYXJTYXTKJ-QGZVFWFLSA-N 294.354 3.919 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1scc(C)c1C#N 578496212 OAJSBICKWIFSKB-UHFFFAOYSA-N 299.399 3.982 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cccc(CCC(F)(F)F)c1 491622169 GSRQGZYGUNNUAO-LLVKDONJSA-N 298.308 3.667 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@H]3C[C@H]3C2)c1 665955853 DUWLQDBMPXCWEA-KBPBESRZSA-N 286.375 3.515 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CCCCCC#N 588158398 WGQNTTMIMNEDOT-NVXWUHKLSA-N 284.403 3.865 30 20 CHED CCC[C@H](C)[C@H]1CCCN1c1cc(C#N)cc(C)n1 588001990 UYEWGCHGHZDMSL-SWLSCSKDSA-N 257.381 3.667 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccccc2C#N)cc1 588618216 HZMGZAFXANIQDG-XFXZXTDPSA-N 277.323 3.853 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H](C)CCCC)c1ccccc1 820591522 UBGBXVLYVZHVPN-GDBMZVCRSA-N 272.392 3.581 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2c(F)cccc2F)C1 665155721 XSBOJYUNDCIBEW-NSHDSACASA-N 280.318 3.785 30 20 CHED N#Cc1cc(N[C@H]2CCCC[C@H]2Cc2ccccc2)ncn1 582942146 AWUIKIPCZIRFNK-RDJZCZTQSA-N 292.386 3.562 30 20 CHED N#CC1(c2ccc(-c3ccc(F)cc3CO)cc2)CCC1 906175530 SYIRLFHWYVWAJJ-UHFFFAOYSA-N 281.330 3.930 30 20 CHED N#CCOc1cccc(NC(=O)c2cc3occc3s2)c1 736003632 SMCHXKWSAQIJDN-UHFFFAOYSA-N 298.323 3.649 30 20 CHED Cc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1C 731151524 MPEJGRIRYYYTMR-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CC[C@@H](NC[C@H](C)c1nccs1)c1cccc(C#N)c1 902952316 XABBLGWPTIKFHC-SWLSCSKDSA-N 285.416 3.859 30 20 CHED Oc1cccc(/C=N\[C@H](Cc2ccccc2)C2CC2)c1O 736430836 JQEDJZCXDXOCNW-BKAYVGFPSA-N 281.355 3.538 30 20 CHED COc1ccc(Cl)cc1C(C)=NNCc1ccccc1 730552052 VUNGYOOWBSLJCX-UHFFFAOYSA-N 288.778 3.862 30 20 CHED C=CCCCOC(=O)[C@@H](C)Cc1ccccc1F 738771062 XFDACDPCHOQXIK-LBPRGKRZSA-N 250.313 3.514 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 490003746 KNQBONAOAZOFKO-UHFFFAOYSA-N 296.754 3.580 30 20 CHED COC(=O)c1cc(NN=CC2CCCCC2)ccc1F 835012641 XJMOAJYTZYUYLU-UHFFFAOYSA-N 278.327 3.590 30 20 CHED COC(=O)c1cccc(NN=C2CCCC2(C)C)c1F 835018938 JTUBBJOBULVLNK-UHFFFAOYSA-N 278.327 3.590 30 20 CHED CC(C)(CCC#N)CNC(=O)/C=C/Sc1ccccc1 492923281 ONTVYIUGAIUHGT-FMIVXFBMSA-N 288.416 3.739 30 20 CHED C#Cc1ccc(C(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)cn1 839890357 HJUQXTXMOZQFDL-OAHLLOKOSA-N 298.430 3.740 30 20 CHED N#CCCCCCC(=O)N1CCC(c2ccsc2)CC1 588164677 AYWNXWJXRRGWLW-UHFFFAOYSA-N 290.432 3.928 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1nc2c(s1)CCC2 666459491 BIPNPCDVBGYTQS-HNNXBMFYSA-N 298.455 3.909 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCCC[C@@H]1CC(C)C 583900450 FEDCOULTLBIXHO-OAHLLOKOSA-N 288.439 3.747 30 20 CHED Cc1ccccc1[C@H]1CCN(C(=O)c2ccsc2C#N)C1 906492318 CCMNWIJBUULPQE-ZDUSSCGKSA-N 296.395 3.558 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCCc2ccccc2)C1 839047452 XEQRRRJWUZGIJL-HOTGVXAUSA-N 271.360 3.635 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(C(C)=O)cn1 836504695 XDVXUQHTJKRROD-UHFFFAOYSA-N 289.379 3.542 30 20 CHED C=CCCOCC(=O)N(c1ccccc1F)C1CCCC1 673721614 NLKAIILOAWLZRJ-UHFFFAOYSA-N 291.366 3.694 30 20 CHED C=C(Cl)CNCc1ccccc1OCc1cccnc1 735925805 SNESZCYSPATAAM-UHFFFAOYSA-N 288.778 3.503 30 20 CHED CN(C)c1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1F 734305351 RHCVVEKVLCDZBV-QPEQYQDCSA-N 299.320 3.853 30 20 CHED Cc1cc(Cl)cc(C)c1C=NN[C@@H](C)C(F)(F)F 835002599 UDTVOJLEJGFHJA-VIFPVBQESA-N 278.705 3.831 30 20 CHED C[C@H]1CC=C(C(=O)[C@H](C#N)c2cnc3ccccc3n2)CC1 835349391 VBWAPGKEVAJHRQ-GXTWGEPZSA-N 291.354 3.552 30 20 CHED C#CCOC(=O)c1cc(-c2ccccc2)ccc1Cl 732406190 JGDBGLCLNMVHDH-UHFFFAOYSA-N 270.715 3.797 30 20 CHED CC[C@H](C)[C@H](C=NNc1ccc2ccccc2n1)OC 834919576 JBLBZMXECKXVSK-WFASDCNBSA-N 271.364 3.694 30 20 CHED C=CCC[C@H](NC(=O)O)c1ccc(C(F)(F)F)cc1 833373626 UZELPDRZFKSLTM-NSHDSACASA-N 273.254 3.980 30 20 CHED C#CCCCCCC(=O)N1CCc2cccc(Cl)c2C1 837918925 VXEIBGYAVCHMKX-UHFFFAOYSA-N 289.806 3.808 30 20 CHED N#Cc1cc(C(=O)O[C@@H]2CCC[C@H]2c2ccc(F)cc2)c[nH]1 835535058 OTRUZAYZCMBPGI-JKSUJKDBSA-N 298.317 3.519 30 20 CHED Cc1ccc(CC/N=C/c2cc(Cl)ccc2O)o1 915115107 XFBDRZFNRSCKBI-CXUHLZMHSA-N 263.724 3.609 30 20 CHED C#CCCOC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 747107557 VUACHARVSYOGEY-SECBINFHSA-N 271.143 3.663 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc3ccccn23)cc(C)c1F 741468307 VLGNTLSEPSBHGE-SREVYHEPSA-N 294.329 3.986 30 20 CHED Cc1c(C(=O)N2CCC[C@@H](CC#N)C2)oc2ccccc12 597916345 MGRYAZLPLFXASU-ZDUSSCGKSA-N 282.343 3.507 30 20 CHED CSc1ccc(F)cc1C/N=C/c1ccccc1O 745977234 RVFJHEYWXHCHDC-RQZCQDPDSA-N 275.348 3.872 30 20 CHED Oc1ccccc1/C=N\CCCCOCCc1ccccc1 917556824 NRBHYKDSGXBURL-SILNSSARSA-N 297.398 3.851 30 20 CHED C=C[C@H](C)ON=C(C)Cc1nc2ccccc2s1 844622207 WXZFTJSBWGUZFA-NSHDSACASA-N 260.362 3.806 30 20 CHED C#CCCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 742789049 QENJNDVTOVYKQK-JLHYYAGUSA-N 269.388 3.527 30 20 CHED C=CCN(C(=O)c1ccc(CSCC)cc1)C(C)C 917659281 SQIDYUFPJRHHGZ-UHFFFAOYSA-N 277.433 3.976 30 20 CHED C[C@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccco1 599711249 SSJPIBIGQUGYQY-ZBFHGGJFSA-N 296.370 3.934 30 20 CHED CO[C@H](CN[C@@H](CCC#N)c1ccccc1)C1CCCC1 595422425 XSTRZCUIWKDWSB-ZWKOTPCHSA-N 286.419 3.826 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc(C)cs2)C1(C)C 915100350 WNHQEAVIPFAGEP-JHJVBQTASA-N 288.416 3.866 30 20 CHED O=C(O)Cc1ccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 848415496 MSPJLUSFMWNXEK-OEAJRASXSA-N 298.386 3.538 30 20 CHED COc1cc2ccccc2cc1CN1CCC[C@H](CC#N)C1 597178510 ZOKBMDXKUYMLKC-OAHLLOKOSA-N 294.398 3.974 30 20 CHED CC1(C)C[C@H](C(=O)OCC2(CC#N)CC2)c2ccccc2O1 842312445 FRELIIYXCDBJQJ-AWEZNQCLSA-N 299.370 3.568 30 20 CHED Cc1cc(C)c(CC/N=C/c2cccc(O)c2O)c(C)c1 917556612 FKIWCZOEGKQDSL-YBFXNURJSA-N 283.371 3.685 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)C(C)(C)c1ccccc1 590355770 CAMUATYGJHNREW-OAHLLOKOSA-N 288.435 3.960 30 20 CHED C#CC1CCN(C(=O)[C@@H](CC)C2CCC(C)CC2)CC1 843705462 HXTPXDYZSPVXGB-PREGVCBESA-N 275.436 3.711 30 20 CHED C=C[C@@H](C)ONC(=O)C(C)(C)c1cccc2ccccc12 846555589 WVJTXUBMAXKGAM-CYBMUJFWSA-N 283.371 3.740 30 20 CHED C=C(C)CONC(=O)Nc1ccccc1OCCC(C)C 847207118 GGGMRZTVCZKPAH-UHFFFAOYSA-N 292.379 3.741 30 20 CHED C[C@@H](c1ccccc1)N(C[C@@H](O)CC(C)(C)C#N)C1CC1 598594275 GETRHHNZXUTMLV-YOEHRIQHSA-N 286.419 3.513 30 20 CHED C=CCC1(NC(=O)NCC(C)(C)CCC#N)CCCC1 596602040 WNMYTFICEIFDRE-UHFFFAOYSA-N 277.412 3.504 30 20 CHED CCn1cc(C(C)=NNc2c(C)cc(C)cc2C)cn1 743445186 IEFCQSHIBPXLDL-UHFFFAOYSA-N 270.380 3.664 30 20 CHED C=CCNC(=S)Nc1ccccc1OCCC(C)C 848648687 LFDMVGIDCYXEPR-UHFFFAOYSA-N 278.421 3.584 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 592587744 WFOXXJNOEWMNHF-UONOGXRCSA-N 270.376 3.878 30 20 CHED C=CCCSCCN[C@@H](C)c1ccccc1N(C)C 595059139 LROIMTYUCLHZJS-AWEZNQCLSA-N 278.465 3.713 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)c1ccc(F)cc1 843263366 BXZKWNFRKNLCAL-FPLPWBNLSA-N 272.323 3.574 30 20 CHED Cc1cc(/C=C\C(=O)c2cc3c(s2)CCCC3)nn1C 840716895 OOSUCUQJQIBLAF-FPLPWBNLSA-N 286.400 3.565 30 20 CHED CSCC(=NNc1nc2ccccc2[nH]1)c1ccccc1 749444708 YOIJTRSTFDOWET-UHFFFAOYSA-N 296.399 3.742 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1cc(C)on1 920235206 INNNSODIENZKAF-ZDUSSCGKSA-N 295.427 3.779 30 20 CHED FC(F)(F)c1ccccc1C=NOC[C@H]1C[C@H]2CC[C@H]1O2 842015412 LAUMCLQJXGDCRR-YRGRVCCFSA-N 299.292 3.623 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)CCCC3)no1 844549587 GRBBBONTRSBAOQ-CLFYSBASSA-N 267.328 3.758 30 20 CHED Cc1cccc(N(C)C(=O)c2ccc(C#N)c(Cl)n2)c1C 753002344 MTAMHRVYPUDXIE-UHFFFAOYSA-N 299.761 3.500 30 20 CHED Cc1ccc(C(C)(C)CN[C@H](C)CC(C)(C)C#N)nc1 926751717 AREODCRRSOIQQJ-CQSZACIVSA-N 273.424 3.586 30 20 CHED Cn1cc(C(=O)/C=C\c2ccccc2-c2ccccc2)cn1 920834043 UIFOTHLPGQOBSI-QXMHVHEDSA-N 288.350 3.983 30 20 CHED COCc1csc(C(=O)OCC2(C#N)CCCCC2)c1 850931943 CNTRZQJLSRSXOE-UHFFFAOYSA-N 293.388 3.525 30 20 CHED C=CCCSCCNC(=O)N[C@@H](C)c1ccc(C)s1 852285858 MQTDQIXHHULTBI-LBPRGKRZSA-N 298.477 3.726 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(O)c(F)c2)c2ccccc21 755592327 ZPHMKXNLEVTVAV-SOFGYWHQSA-N 295.313 3.919 30 20 CHED C=CCN(C(=O)[C@H](C)CSc1ccc(F)cc1)C(C)C 755194321 POKSRFPAEOJNRL-CYBMUJFWSA-N 295.423 3.977 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)C1CCN(C2CC2)CC1 851143294 KKTJLEIQDVWBDG-YOEHRIQHSA-N 291.435 3.539 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(C)c(C)c1 853001705 XZIYSSODWIOVRQ-FPLPWBNLSA-N 268.360 3.806 30 20 CHED Cc1cccc([C@H](NCC2(CC#N)CC2)c2ccccn2)c1 926346189 STRRJJGGKMIEJF-SFHVURJKSA-N 291.398 3.763 30 20 CHED COc1cccc(C(C)(C)CN[C@H](C)CC(C)(C)C#N)c1 925597665 QZEQAGYBYRHPSM-CQSZACIVSA-N 288.435 3.891 30 20 CHED Oc1ccc(C=NNc2cccc(Cl)c2)cc1F 755472700 ZAUZNMKWHFQHLQ-UHFFFAOYSA-N 264.687 3.631 30 20 CHED C#CC(=O)N[C@@H](CC(C)C)c1ccccc1OCC(C)C 754059573 LYICZLNLVLWREM-INIZCTEOSA-N 287.403 3.558 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1Oc1cccnc1 684939503 PVDOAAHFYWTQMY-AWEZNQCLSA-N 296.370 3.958 30 20 CHED C#CC[C@@H](NC(=O)C1CCCCCC1)c1ccccc1 757575065 AKTHUZJXBORDQU-QGZVFWFLSA-N 269.388 3.838 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(C(F)F)cc1 684768129 ZHBOIUDTKAYAMV-GJZGRUSLSA-N 281.346 3.695 30 20 CHED CCCCCCCNC(=O)N1CCC(OC(C)C)CC1 858111877 WKKKSARNEDWMCI-UHFFFAOYSA-N 284.444 3.556 30 20 CHED CS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C1 1339345242 KGBZKCZWNUMQGH-HZPDHXFCSA-N 274.433 3.583 30 20 CHED C=CCCSCCN[C@H](CC)c1ccccc1O 696127491 RVVJHWJUTBCBME-CQSZACIVSA-N 265.422 3.742 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc2c(c1)CCCO2 850468650 JOVVBZQWTNTXDR-CQSZACIVSA-N 286.419 3.992 30 20 CHED Cc1cc(F)cc(C)c1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 857627140 HFKUGCYJBCXZIT-TZMCWYRMSA-N 275.323 3.682 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccsc1 756826591 BOVKNUWCOTUSBY-UHFFFAOYSA-N 264.781 3.915 30 20 CHED C=CC[C@@H]1CCCN(Cc2c(O)ccc3ccncc23)C1 853537244 SDSPUWZDVFXXPT-CQSZACIVSA-N 282.387 3.729 30 20 CHED C[C@H]1CN(Cc2cc(F)ccc2C#N)Cc2ccccc21 759332411 LLSXOLXRTWZZNU-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED O=C(/C=C\c1ccc(Cl)c(F)c1)c1cc(O)ccc1O 757467372 DQBCGHOLEWDDPQ-DJWKRKHSSA-N 292.693 3.786 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1c[nH]c2cc(C)ccc12 756012013 CTOZEDMRCMSAHN-GFCCVEGCSA-N 257.333 3.527 30 20 CHED Cc1sc(C(=O)O[C@@H](C)C#N)cc1-c1ccc(F)cc1 756539779 LKMMVBWWFCMKMO-VIFPVBQESA-N 289.331 3.932 30 20 CHED CCCOc1ccc(C(C)=NO[C@H]2CCCCO2)cc1 755818386 CDKQOHPEKSUBBZ-INIZCTEOSA-N 277.364 3.743 30 20 CHED C#CCCCCNC(=O)NC[C@@H](c1ccccc1)C(C)C 758697697 VLEWNEPUYIRMLQ-QGZVFWFLSA-N 286.419 3.529 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC=C(c2ccccc2)C1 935289967 GCUAIVDPMOQLJG-AWEZNQCLSA-N 255.361 3.515 30 20 CHED COc1ccsc1C=NNc1cc(C)ccc1F 764697087 VOCSIOSMPYJPOD-UHFFFAOYSA-N 264.325 3.650 30 20 CHED C#CCCc1noc(CCC(C)(C)c2ccccc2)n1 762016698 ULWPOJJYZNZNJK-UHFFFAOYSA-N 268.360 3.546 30 20 CHED C#CCC(C)(C)C(=O)OCc1cc2ccccc2s1 767649586 KBPNJXMJFBUHRI-UHFFFAOYSA-N 272.369 3.994 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)CCC1CCCCC1 767078248 XFAMDQPGLNREHU-CQSZACIVSA-N 263.425 3.901 30 20 CHED C#Cc1cccc(N(C)C(=O)c2c(C)cc(C)cc2C)c1 761669688 NLNJHOULTUBFMT-UHFFFAOYSA-N 277.367 3.870 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)c1 769608440 CCFBTGQXCWDCKF-VQHVLOKHSA-N 298.386 3.628 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)CC(C)(F)F 760526462 RJFMNYCMMFGCCZ-UHFFFAOYSA-N 283.318 3.568 30 20 CHED Cc1cc(=NN=CC2CCC(C(F)(F)F)CC2)cc[nH]1 863159046 ALGJWSQQSZINID-UHFFFAOYSA-N 285.313 3.578 30 20 CHED N#CCOc1ccc(NCc2cnc3ccccc3c2)cc1 1116067577 HIFXDIUJQCKPOX-UHFFFAOYSA-N 289.338 3.749 30 20 CHED C=CCC1(NC(=O)c2ccc3cncn3c2C)CCCCC1 1117889684 XDOAWQDDFZMPCJ-UHFFFAOYSA-N 297.402 3.652 30 20 CHED Cc1ncc(/C=C/C(=O)OCCCCC(C)(C)C#N)s1 768692408 FFOYWEIVPJYQLH-VOTSOKGWSA-N 292.404 3.728 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccccc2)ccc1C#N 766450651 PJRZYBDUVMBMAU-CQSZACIVSA-N 263.344 3.551 30 20 CHED C#CCCOc1ccc(CNc2cccc(OC)c2F)cc1 769928795 AKSLBPYSGWZSCL-UHFFFAOYSA-N 299.345 3.849 30 20 CHED CCC(=CC(=O)Nc1cc(C#N)c(F)cc1F)CC 876345048 AIQOKGAHGQPPSO-UHFFFAOYSA-N 264.275 3.521 30 20 CHED C[C@H]1CC[C@@H](C=NNc2cncc(Br)c2)C1 1116935867 PQOYVRPKTSAABE-VHSXEESVSA-N 282.185 3.678 30 20 CHED CCCCCCCNC(=O)N1CCCC(F)(F)CC1 875761738 MLCMHVIDBLYAGO-UHFFFAOYSA-N 276.371 3.788 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1cnn(C)c1C 778543607 BFGUTFHVIXFVMR-UHFFFAOYSA-N 297.189 3.871 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2C[C@]2(C)C(C)C)c1 772965659 APRFGAHKLMNQGQ-SJLPKXTDSA-N 269.388 3.703 30 20 CHED C=C(CC)COC(=O)Cc1coc2cc(F)ccc12 773532968 QVNQKBUMVMUDCQ-UHFFFAOYSA-N 262.280 3.624 30 20 CHED Cc1ccc(C=NNc2cc(Cl)ccn2)c(C)c1 777905250 DYNPAJZYBDHLJH-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@](C)(C#N)C1CCCCC1 779993603 PKWBXQDBGGRECU-CJTWTEFWSA-N 262.397 3.712 30 20 CHED CCc1cnccc1C(=O)/C=C/c1sccc1C 776192703 SJVMHZCXDVCHKX-SNAWJCMRSA-N 257.358 3.910 30 20 CHED C=C1CN(C(=O)Nc2ccc(COC3CCCC3)cc2)C1 1119829514 SGGJNSLKZCXQJQ-UHFFFAOYSA-N 286.375 3.550 30 20 CHED C[C@@H]1CCC[C@H](c2noc(-c3csc(C#N)c3)n2)C1 1117779543 PKNYAMDABVHBNP-ZJUUUORDSA-N 273.361 3.963 30 20 CHED CC[C@H](N[C@H](C)c1cccc(C#N)c1)[C@H](O)c1ccccc1 872133219 NUTSZLFNNMALAL-MDASCCDHSA-N 294.398 3.721 30 20 CHED C#CCCCCCC(=O)N[C@]1(C)CCCc2ccccc21 779898754 LEYORZMXJQJAJJ-LJQANCHMSA-N 283.415 3.938 30 20 CHED Cc1cc(COC(=O)c2cccc(F)c2C#N)c(C)s1 778366808 JLFLYNJCSKVEBW-UHFFFAOYSA-N 289.331 3.733 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]2c2cccs2)cs1 1117740457 MVDUMZRRSZOTFE-LBPRGKRZSA-N 288.397 3.659 30 20 CHED CCCC[C@@H](CCC)OC(=O)c1ccc(C#N)c(C)n1 1116002448 MOKQRHJEQWREHM-CQSZACIVSA-N 274.364 3.777 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNC(=S)Nc1cccnc1 779760438 XEUZLTBPGBOIGH-LBPRGKRZSA-N 292.452 3.816 30 20 CHED C#C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 773593140 NQEQSPBFIWBITD-NHYWBVRUSA-N 290.794 3.502 30 20 CHED N#Cc1c(Cl)nsc1SCc1ccco1 770926674 JUGDABOBUBEPES-UHFFFAOYSA-N 256.739 3.553 30 20 CHED CC(C[C@H](C)CC(C)C)=NNCCOCC(F)(F)F 779781421 DBXFHAGEJWQOPM-LLVKDONJSA-N 282.350 3.603 30 20 CHED N#CC1(CN2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC1 775976670 WALMLDDXLUWBLS-ROUUACIJSA-N 298.430 3.658 30 20 CHED C#CCCCCCC(=O)O[C@H](C)c1nc2ccccc2n1C 779967976 MYMQRCKSBSVGLN-CQSZACIVSA-N 298.386 3.761 30 20 CHED CC1(C=NNc2ccc(C(=O)O)cn2)CCCCCC1 779781016 BODJXQPKRMBLSL-UHFFFAOYSA-N 275.352 3.538 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)C1CCC=CCC1 1123063002 YSJFQXNNXWZVPG-OAHLLOKOSA-N 283.371 3.501 30 20 CHED Clc1ccccc1N=C1NN=C(CC2CC2)CS1 776241355 ARQDJEDDVZVEMV-UHFFFAOYSA-N 279.796 3.820 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1c1ccsc1 779844427 JESMXFWPZWMVIV-HNNXBMFYSA-N 275.417 3.995 30 20 CHED Cc1cc(C=NOCC(F)(F)F)ccc1Cl 779785748 VZFQYSUNCBGMMG-UHFFFAOYSA-N 251.635 3.561 30 20 CHED CC1(C)CCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 773945370 WPRAXNDKWGQWEO-NEPJUHHUSA-N 281.359 3.565 30 20 CHED C=CCCCOC(=O)[C@@H](CC)c1ccc(OC)cc1 775948805 RHYZBQGQFDJNSJ-HNNXBMFYSA-N 262.349 3.698 30 20 CHED CCCc1ccccc1NC(=O)Cc1ccccc1CC#N 776810396 NTVUYDGQRFOBGO-UHFFFAOYSA-N 292.382 3.886 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1coc(-c2ccccc2)n1 782287027 JCBJUVXFNPXHFU-OAHLLOKOSA-N 283.375 3.844 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 1129179457 VAWUOQSBOMBMHX-AWEZNQCLSA-N 276.424 3.793 30 20 CHED C=CCCCCCOC(=O)[C@H]1CC(=O)c2ccccc21 784922086 LUJKVMOOWJERKA-HNNXBMFYSA-N 272.344 3.646 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 783718766 ROKQPHBXYAPPAG-DOTOQJQBSA-N 286.419 3.845 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(Oc2ccccc2)CC1 1120570384 GHWJKPXESNJROQ-OAHLLOKOSA-N 287.403 3.659 30 20 CHED Cc1sccc1CC(=O)O[C@H](C)c1cccc(C#N)c1 786949388 TXHIETLQIKVFEU-LLVKDONJSA-N 285.368 3.775 30 20 CHED C=C[C@H]1CCCCN1C(=S)N[C@@H](C)c1cccs1 782408964 QVSOSRGQNOPSPQ-RYUDHWBXSA-N 280.462 3.724 30 20 CHED C=C1CC(c2noc([C@H](C)Cc3ccc(OC)cc3)n2)C1 896881640 CSPRJTDMFRVBNV-GFCCVEGCSA-N 284.359 3.858 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCCCCCC1 787422650 BBYPOAZXAFUXLS-KRWDZBQOSA-N 297.402 3.521 30 20 CHED CCn1cc(/C=C2\C(=O)c3ccccc3[C@H]2C)c(C)n1 899374378 OAFAZPHQVKKGEU-WIWNTQSISA-N 266.344 3.595 30 20 CHED CN(C)c1cccc(C(=O)Nc2ccc(Cl)cc2C#N)c1 1130934069 BWYMATDYOXIPKE-UHFFFAOYSA-N 299.761 3.530 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccccc1O)c1ccncc1 783512385 BMVVEPVNSAZSGV-XJKSGUPXSA-N 268.360 3.755 30 20 CHED Cc1ccsc1C(=O)OCc1ccc(Cl)cc1C#N 780036124 YBQDDJRNRSGTNA-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C=CCCN(C)C(=O)/C=C(\C)c1ccccc1OC(F)F 786223008 JCFKBBBFRJNQCK-VAWYXSNFSA-N 295.329 3.726 30 20 CHED C[C@H](C(=O)OCc1ccc(Cl)cc1C#N)C(C)(C)C 780037824 WFVQJDNSABDTTD-SNVBAGLBSA-N 279.767 3.937 30 20 CHED CCCCCCCCCC(=O)N[C@@]1(C)CCO[C@@H]1C 784241597 IRHQUGDYIPSPBP-ZBFHGGJFSA-N 269.429 3.811 30 20 CHED Cc1cccc2c1CC[C@H]2NCc1ccc(C#N)cc1 105496744 MGWLEMMASNAAKQ-GOSISDBHSA-N 262.356 3.644 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1ccnc(F)c1 794931639 ZVBAYYMHOCKEFB-KRWDZBQOSA-N 299.393 3.802 30 20 CHED C[C@@H](C=NNc1ccccc1Cl)NC(=O)OC(C)(C)C 799104627 CPIASMLMGRYOIW-JTQLQIEISA-N 297.786 3.651 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 794698305 IPFOCHBSTCEFPB-FPLPWBNLSA-N 294.276 3.643 30 20 CHED C=C1CCC(C(=O)N2CCSC3(CCC3)CC2)CC1 891592128 BACZHLUIWANAHV-UHFFFAOYSA-N 279.449 3.621 30 20 CHED CCCCCCCCNC(=O)N1CC[C@@H](OC)C[C@H]1C 799381388 DGHAOUOBZGNXQC-HUUCEWRRSA-N 284.444 3.556 30 20 CHED Cc1cccnc1NN=Cc1cccc2ccccc12 790192976 MIKAKIDBERPCOT-UHFFFAOYSA-N 261.328 3.989 30 20 CHED C#CCCCCCC(=O)Nc1cc(OC)c(C)cc1C 794364198 DEXUKMQNXFMQOD-UHFFFAOYSA-N 273.376 3.834 30 20 CHED COc1cc(/C=C/C(=O)c2cccs2)ccc1C#N 799495560 PHHXBJULOYMHDK-FNORWQNLSA-N 269.325 3.524 30 20 CHED CC[C@H]1CCC[C@@H](C=NNCCC(F)(F)F)C1 794553650 WSDKYNJHJHJQIK-WDEREUQCSA-N 250.308 3.731 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1Cc2cccc(O)c2C1 793588321 IWURYHLTCMUVLK-GDBMZVCRSA-N 273.420 3.974 30 20 CHED CCc1ccc(CCC=NOCCSC)cc1 794574500 GKLAILSDMOJVSO-UHFFFAOYSA-N 251.395 3.547 30 20 CHED CC(C)(CCC#N)CNCc1ccnc2ccccc12 558119932 PBSJJKACRYCHMC-UHFFFAOYSA-N 267.376 3.654 30 20 CHED C=CCCOC(=O)c1ccccc1NC(=O)OC(C)(C)C 748337154 ZMKITQNFRGVITM-UHFFFAOYSA-N 291.347 3.767 30 20 CHED Fc1ccccc1CCNN=Cc1ccc(C(F)F)cc1 794523803 GZQHLBWFOGRFPE-UHFFFAOYSA-N 292.304 3.930 30 20 CHED CCC(C)(C)CC(=O)[C@@H](C#N)c1cnc2ccccc2n1 792109063 RVVAEQOIRZHSKB-LBPRGKRZSA-N 281.359 3.632 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](CO)c1ccc(F)cc1 793541546 RHRBFHUYBGBZNG-PBHICJAKSA-N 279.399 3.974 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cn(C(C)C)nc1C)C2=O 798370504 OQGQTDSYUHXVTH-DHDCSXOGSA-N 280.371 3.903 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@@H](C)C(F)(F)[C@H](C)C1 599515315 RJKAUMHUVYACLM-CHWSQXEVSA-N 278.346 3.590 30 20 CHED CC[C@@H](CC(F)F)CN1CCCC(C)(C)[C@H]1C#N 595463857 BBTJFQYRRRFXQE-NWDGAFQWSA-N 258.356 3.682 30 20 CHED N#Cc1csc(CNc2ccc3ncccc3c2)c1 93687968 PVBRHOYNAHXAKM-UHFFFAOYSA-N 265.341 3.780 30 20 CHED Cc1cc(N2CCC[C@H]2C2CCCCC2)ncc1C#N 1306935805 HHBKYOXFDNBEFD-INIZCTEOSA-N 269.392 3.811 30 20 CHED Cc1cccc(-c2nsc(NCC(C)(C)CC#N)n2)c1 1163466539 VRLJUWVKNYNPSW-UHFFFAOYSA-N 286.404 3.865 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(CC2(CC#N)CC2)C1 1167465492 WWBWSVMGRSGLBO-JKSUJKDBSA-N 268.404 3.867 30 20 CHED CCO[C@H]1C[C@@H](Nc2c(C#N)cccc2C#N)C1(CC)CC 1162644146 GAFLINQBBCODCW-CVEARBPZSA-N 297.402 3.826 30 20 CHED Cc1cc(F)cc(NC(=O)CC#Cc2ccccc2)c1 1319286105 CPGOMIACYCMLPN-UHFFFAOYSA-N 267.303 3.514 30 20 CHED N#CC1(C(=O)Nc2cc(-n3cccc3)ccc2F)CCCC1 1318132352 ILWUDRMJCIPQDC-UHFFFAOYSA-N 297.333 3.639 30 20 CHED C=C[C@H](COC)N[C@@H](CC)c1ccc(Br)cc1 1320306610 XPCOOQQSMBLPHB-KGLIPLIRSA-N 298.224 3.691 30 20 CHED C[C@H]1CCC[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)C1 1322501460 AICBMRDXWSCXNZ-SMDDNHRTSA-N 267.332 3.902 30 20 CHED CCCCCCCN[C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 1324965338 OQGQQJPYOVJMKY-BZUAXINKSA-N 278.444 3.568 30 20 CHED C[C@@H](CNc1ccc(OCC#N)cc1)c1ccc(F)cc1 1326044781 WYYHIXWNPUULAQ-ZDUSSCGKSA-N 284.334 3.944 30 20 CHED C[C@@H]1CCC[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)C1 1322501378 AICBMRDXWSCXNZ-BXUZGUMPSA-N 267.332 3.902 30 20 CHED CC1(C)Cc2cc(/C=C\c3cc(C#N)ccn3)ccc2O1 1321297119 HMOVUUMPTSOYEO-HYXAFXHYSA-N 276.339 3.837 30 20 CHED CCc1nc(C#N)cc(N[C@H](CC)CCc2ccccc2)n1 1187044436 JZOPWSUIEBSZCH-OAHLLOKOSA-N 294.402 3.734 30 20 CHED C=C[C@@H](CC)CC(=O)NCCc1coc(-c2ccccc2)n1 1333183915 QGORMISBQVCLGB-AWEZNQCLSA-N 298.386 3.603 30 20 CHED CCC1(C(=O)Nc2ccc(OCC#N)cc2)CCCCC1 1337960656 JFAGZJUZCICGCB-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CC[C@](C)(C#N)c1nnc(-c2cccc(Cl)c2)o1 1261572473 OGDHMYSLCMORDV-CYBMUJFWSA-N 261.712 3.581 30 20 CHED Fc1cc(Cl)c(OCC#Cc2cccc(Cl)c2)cn1 1347889544 QRYWDRCLTKXHDJ-UHFFFAOYSA-N 296.128 3.958 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N(CC(C)C)C(C)C 1343523230 KUJFWOQAZLDREL-UHFFFAOYSA-N 286.370 3.663 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)CCCC1CCCCC1 1349703036 UZXRFUYXWPEPIH-HNNXBMFYSA-N 287.407 3.830 30 20 CHED CCNc1ccc(Cl)cc1C(=O)O[C@@H]1CC[C@@H](C#N)C1 1342602033 RWRHAAZWHPWJDZ-ZYHUDNBSSA-N 292.766 3.621 30 20 CHED C=C1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 1262673414 MIXNSRXKLSZNHT-UHFFFAOYSA-N 268.263 3.689 30 20 CHED CSCc1cccc(NC(=O)c2csc(C#N)c2)c1 1435066436 HBVPJTAXGZLUHJ-UHFFFAOYSA-N 288.397 3.735 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CCCC#N)c1cccs1 1519367084 PGEOMSWXSOVXFN-RISCZKNCSA-N 276.361 3.576 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C(C)(F)F)cc1 1518546389 AWJXTQLAPHAANN-CYBMUJFWSA-N 280.318 3.563 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](C)C1CCCCCC1 1521591688 IPDMFRHHSDOBHQ-CQSZACIVSA-N 284.403 3.955 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H]2C(C)(C)C)c1 1520210389 XBOGGGPEVVUESX-HNNXBMFYSA-N 288.391 3.904 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1c(C)cccc1OC 1520259287 YAINWDUVXTUWAK-CQSZACIVSA-N 288.391 3.966 30 20 CHED CCc1ccc(F)cc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1528080336 HZOPHNGONQUMID-RISCZKNCSA-N 275.323 3.627 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)c(C)c1 1535439543 MJDLDHDTBHGRGD-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C=C[C@H](SCc1cccc2ccccc12)C(=O)O 1609287189 HVHNWUPOJQMJJO-AWEZNQCLSA-N 258.342 3.712 30 20 CHED C=CCCCCCCCN[C@@H]1CCN(C)[C@H](C)C1 810243822 VEEOPDFPLPRLKS-HZPDHXFCSA-N 252.446 3.585 30 20 CHED Cc1cccc(C2(C(=O)Nc3cc(F)cc(C#N)c3)CC2)c1 1544396849 JABJZUKCQHWSGO-UHFFFAOYSA-N 294.329 3.676 30 20 CHED N#CC1(CSCc2cc(C(=O)O)ccc2Cl)CCC1 1610619307 IRFFPMRFCDGYKY-UHFFFAOYSA-N 295.791 3.965 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2ccccc2Cl)o1 1610824223 MZPPVWCGSUQKDY-FNORWQNLSA-N 276.675 3.527 30 20 CHED CC[C@@H](CC#N)NCc1cc(Br)c(C)s1 227827661 MSDAGSAJIHKAOA-VIFPVBQESA-N 287.226 3.601 30 20 CHED N#Cc1ccc(NC(=O)Nc2ccc(C3CCC3)cc2)nc1 1626645820 KULUCXFUMSZDJY-UHFFFAOYSA-N 292.342 3.865 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(F)c2C#N)c1 1624333092 VGCKXOUXGAHHDJ-CYBMUJFWSA-N 296.345 3.805 30 20 CHED N#Cc1cc(N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)ccn1 1639404216 ZAKYAKZLMHSFSN-LJIGWXMPSA-N 281.403 3.748 30 20 CHED COc1ccc([C@H](C)COc2ccccc2C#N)cc1 1640720193 AIYFRQHCNXGGSO-CYBMUJFWSA-N 267.328 3.749 30 20 CHED C#CCCCNc1cc(C)cc(Br)c1 230224891 FHHOIONYZOUJLW-UHFFFAOYSA-N 252.155 3.583 30 20 CHED Cc1cccc(C(=O)Nc2cc(C#N)ccc2F)c1C 1584675055 WZDMYJWSLSHHAT-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1ccc(Sc2ncc(C#N)cc2F)c(C)c1 1654876832 AUIADQLGWOYVFH-UHFFFAOYSA-N 258.321 3.860 30 20 CHED C[C@H]1CN(CCc2ccc(C#N)cc2)c2ccccc21 1659080115 DBDMIRHKNFXOEV-AWEZNQCLSA-N 262.356 3.724 30 20 CHED C=C(CNC(=O)c1nsc2ccccc12)c1ccccc1 1583132553 HHWIQBYEPFCPRO-UHFFFAOYSA-N 294.379 3.740 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@H]2CCC[C@H]1C2 1660521884 CRYCPIGCUQNTCT-HOCLYGCPSA-N 268.404 3.862 30 20 CHED C=C(Cl)Cn1c(N2CC[C@@H](C)[C@@H]2C)nnc1C(C)(C)C 1760386786 JQHQUWGSLVTCGU-PWSUYJOCSA-N 296.846 3.563 30 20 CHED Cc1c(NN=C2CC3(CCCC3)C2)cccc1C(=O)O 1776088786 INSOYJIMLXYXEQ-UHFFFAOYSA-N 272.348 3.815 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)s2)cc1 1776114415 OTYUZXYDWOOCKA-SOFGYWHQSA-N 272.325 3.651 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(-c2nc(C)co2)c1 158472885 LRYRVYZTCDMCEW-LLVKDONJSA-N 285.347 3.736 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1ccc(C#N)cc1 160877506 PRIWCIYSLSPYSU-QZTJIDSGSA-N 298.430 3.918 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccccc2F)CC1 152930046 STQVLNWLXQDYSU-CQSZACIVSA-N 276.399 3.517 30 20 CHED N#CCC[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1 153366499 FCADAKQPVWYYBI-QGZVFWFLSA-N 296.345 3.529 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNc2cccc(C)n2)c1 157570897 NAVUCDASMHNIHF-HNNXBMFYSA-N 281.359 3.683 30 20 CHED CS[C@H](C)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 157633276 WDCCNAFIFYYYQH-LLVKDONJSA-N 276.405 3.568 30 20 CHED Cc1ccc(NC(=O)OC(C)(C)C)c(OCCC#N)c1 155468726 SLDPISQSQXYXBQ-UHFFFAOYSA-N 276.336 3.635 30 20 CHED C=CCN(C)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 156853039 VGQDWIDDZAPSCT-UHFFFAOYSA-N 285.347 3.608 30 20 CHED CCC[C@H](C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(C)C 159890331 ZKWNRJHUSSDTST-ZDUSSCGKSA-N 290.411 3.521 30 20 CHED COC(C)(C)CCOc1ccc(C#N)c2ccccc12 234720065 JHKJVQRUVVIFIQ-UHFFFAOYSA-N 269.344 3.905 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(C3CCC3)cc2)C1 1237110516 KUKWZOWMWICHPV-HNNXBMFYSA-N 254.377 3.690 30 20 CHED Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)o1 36960219 JSAGYLDPOCXFLP-CHWSQXEVSA-N 254.333 3.872 30 20 CHED Cc1cc(C)c(CNCc2ccc(C#N)cc2)cc1C 37505861 ANBBLUDZDKLQPZ-UHFFFAOYSA-N 264.372 3.773 30 20 CHED C[C@H]1C[C@@H](NCCc2cccc(C#N)c2)CC[C@H]1C 466423314 QPSFOUSISAZWII-KEYYUXOJSA-N 256.393 3.515 30 20 CHED N#Cc1ccc(NCc2ccc3ccccc3c2)cn1 301528170 QQBSSHFUDZDZOA-UHFFFAOYSA-N 259.312 3.719 30 20 CHED N#Cc1cc(N2CCCC3(CC3)C2)ccc1C(F)(F)F 302229748 BKMLWQGRMHJBPP-UHFFFAOYSA-N 280.293 3.957 30 20 CHED C=CCCc1csc([C@H](C)NC(=O)OC(C)(C)C)n1 193745351 LSBKAPGEBLQEPJ-JTQLQIEISA-N 282.409 3.847 30 20 CHED C=CCC[C@H](C)NCc1ccsc1Br 308657681 OTQLGPMBIRXKRS-VIFPVBQESA-N 274.227 3.955 30 20 CHED N#Cc1cccc(CN2CCCCCCCC2)c1F 322011096 ZWCHZJJWKWKASV-UHFFFAOYSA-N 260.356 3.854 30 20 CHED N#CCC1CCN(Cc2sccc2Cl)CC1 335834334 VHBWENJOYWCSFE-UHFFFAOYSA-N 254.786 3.527 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 709611133 GCZMFPHIZUQZIR-UHFFFAOYSA-N 297.185 3.871 30 20 CHED COCC(C)(C)CNc1ccc(C(F)(F)F)cc1C#N 380330122 REBSMINQOCWDMD-UHFFFAOYSA-N 286.297 3.662 30 20 CHED CCSC1(CN[C@H](C)c2ccc(OCC#N)cc2)CC1 691847206 SKASDDSUQYBJHU-CYBMUJFWSA-N 290.432 3.525 30 20 CHED N#Cc1ccc(OC[C@@H]2CCCCC2(F)F)c(F)c1 382088929 ITYOADSEIAWQDE-NSHDSACASA-N 269.266 3.902 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)Cc1ccsc1 695860255 UJLIBAZSNATJSZ-NEPJUHHUSA-N 250.411 3.597 30 20 CHED N#CCc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)cc1 398984799 AHKVZIREVTXZPC-MSOLQXFVSA-N 268.404 3.765 30 20 CHED FC(F)C1CCC(=NNCc2ccccc2)CC1 799471522 FKTQYTAYVWYCGL-UHFFFAOYSA-N 252.308 3.588 30 20 CHED C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 6285242 QQSXANOEUSRQJE-LLVKDONJSA-N 299.761 3.651 30 20 CHED C[C@H](CC(=O)O[C@@H]1CC[C@H](C#N)C1)c1c[nH]c2ccccc12 1344034816 JYWGCASQRZVTBJ-HZSPNIEDSA-N 296.370 3.897 30 20 CHED CCc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 106421231 MGOSHWFYYJHNAG-MRXNPFEDSA-N 298.773 3.897 30 20 CHED CC[C@H](CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 103433508 YGNBGCJBSXSQNH-PBHICJAKSA-N 272.392 3.625 30 20 CHED CCCCCCCNC(=O)COc1ccc(C)c(C)c1 100108300 GCHPQBPNVCFWLF-UHFFFAOYSA-N 277.408 3.769 30 20 CHED N#CCCCN1CCC(CCc2ccccc2)CC1 54148506 DUCMQYXCXQKEQL-UHFFFAOYSA-N 256.393 3.635 30 20 CHED C=C(C)CSCC(=O)Nc1cccc(SC)c1 177872699 VMPVIPVQVRRPRY-UHFFFAOYSA-N 267.419 3.656 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2oc(C3CC3)nc2c1 117000268 ARYTYLQDPYCZAO-SNVBAGLBSA-N 285.347 3.791 30 20 CHED CCCCCC(C)(C)C(=O)N(CC)C[C@H](C)C#N 177602568 LLYMAHUAOGEZJY-CYBMUJFWSA-N 252.402 3.601 30 20 CHED CC(C)(C#N)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 26724079 GPKYEWLSBZGFHA-UHFFFAOYSA-N 282.303 3.535 30 20 CHED C=C(C)CCOC(=O)Cc1nc(-c2ccsc2)oc1C 174797521 FRJQGZRKFWOBAY-UHFFFAOYSA-N 291.372 3.763 30 20 CHED C[C@@H](S[C@H](C)c1ccc(C#N)cc1)C(=O)NC(C)(C)C 118444657 JWRDUQMHKFMEMS-VXGBXAGGSA-N 290.432 3.656 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)c1ccc(SC)cc1 69353332 CYNYAEQUTVQVHD-OLZOCXBDSA-N 293.432 3.567 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 64379515 XVYXUSIAKPLCKF-JKSUJKDBSA-N 296.757 3.954 30 20 CHED CCOc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1 301534683 MEVWJQYJLXSUDE-UHFFFAOYSA-N 273.723 3.749 30 20 CHED N#Cc1ccc(Cl)cc1OCCc1ccccc1 62790198 HTVUUURGNLRGKL-UHFFFAOYSA-N 257.720 3.833 30 20 CHED CCOc1ccc(OC)cc1N[C@H](C#N)C1CCCCC1 115606238 BENMOQAQQVIOFL-MRXNPFEDSA-N 288.391 3.978 30 20 CHED COc1cc(C#N)ccc1OCc1csc(C)c1 310705106 RYKSMTOBWFEKDJ-UHFFFAOYSA-N 259.330 3.516 30 20 CHED Cc1cc(F)cc2c(N3CC[C@H](C)[C@@H]3C)c(C#N)cnc12 301492896 PTMXYDIYVXVPTP-JQWIXIFHSA-N 283.350 3.789 30 20 CHED C=CCOCCCC(=O)Nc1cccc(C(F)F)c1 172980507 KYWQMPSPANVHHM-UHFFFAOYSA-N 269.291 3.546 30 20 CHED N#Cc1ccc(COc2ccc(OCC3CC3)cc2)cc1 63740664 MXQUUKLGBZPJEU-UHFFFAOYSA-N 279.339 3.926 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(c2ncc(C#N)cc2Cl)C1 302134238 LQTYNGOVZMTBTK-ABAIWWIYSA-N 298.777 3.589 30 20 CHED Cc1ccc(CNc2ccc(C#N)cn2)c(OC(C)C)c1 301591101 YXWFQGZJHGIVHU-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC[C@@H](NCCCC#N)c1ccccc1OC(F)F 179724606 JAEWPZWUOHWMOD-GFCCVEGCSA-N 268.307 3.632 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(CCCN(C)C)CC1 123286145 ZMBMANPPXGZOHP-INIZCTEOSA-N 299.462 3.673 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)c1cccc(O)c1)c1ccccc1 186851022 OSCJVXOWEYAASV-KSSFIOAISA-N 295.382 3.929 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCO[C@H](c3ccccc3)C2)C1 185901371 LXSYMGSCFHCDBE-HPBDAGMYSA-N 284.403 3.579 30 20 CHED C=CCOc1ccccc1CNc1nnc(C2CC2)s1 301712764 FJZUBPVINURRSJ-UHFFFAOYSA-N 287.388 3.592 30 20 CHED CC(C)CCC(=O)Nc1cc(C#N)ccc1OC(F)F 76194453 OJHOWHPWKQJYRJ-UHFFFAOYSA-N 282.290 3.534 30 20 CHED Cc1ccc(C#N)cc1OCC(=O)Nc1cccc(C)c1C 123070459 XDTJLORIJOBKTQ-UHFFFAOYSA-N 294.354 3.501 30 20 CHED Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 33178822 UFZSLIQXCHSTFM-CQSZACIVSA-N 278.355 3.666 30 20 CHED Cc1cc2occ(C(=O)O[C@H](C#N)C3CC3)c2cc1C 187521128 DBBRUELBBDHQAP-OAHLLOKOSA-N 269.300 3.509 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1cccc2ccccc12 128146002 VKXJHRWVRLJAQF-CYBMUJFWSA-N 268.360 3.556 30 20 CHED N#CCC[C@H](C#N)COc1ccc(F)c(C(F)(F)F)c1 188197459 JKVPNGUCGZDHKW-SECBINFHSA-N 286.228 3.667 30 20 CHED C[C@H]1C[C@@H](COc2ccc(C#N)c3ccccc23)CCO1 419055890 OWYZNCQROMMZCX-KBPBESRZSA-N 281.355 3.905 30 20 CHED C=CC[C@H](C(=O)N1CCS[C@H](C)[C@@H]1C)c1ccccc1 188111010 SVOGBQUGUMYGNS-LZWOXQAQSA-N 289.444 3.699 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCC[C@H]1F 413783456 NQZPEALNFJOODR-ZIAGYGMSSA-N 296.411 3.726 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(Oc2ccccc2)cc1 181817305 KPHYJYBISRQQAY-UHFFFAOYSA-N 281.311 3.938 30 20 CHED COc1cccc(CNc2cc(C#N)c3ccccc3n2)c1 316070210 POAYEWRCZUDSNQ-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc2ncccc2c1 121620313 CWGIFTPFUBAHAQ-UHFFFAOYSA-N 295.386 3.827 30 20 CHED C=C(C)[C@H](NCCCCC#N)c1ccc(F)c(F)c1 187765873 GQQVIJMUVVZXLI-HNNXBMFYSA-N 264.319 3.865 30 20 CHED CCC[C@@H](C(=O)Nc1cnc(C#N)c(Cl)c1)C(C)C 411033856 QMLIHOYYQLJJGR-LLVKDONJSA-N 279.771 3.617 30 20 CHED C=CCCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 120537526 USZVEMRFZMKQOP-UHFFFAOYSA-N 288.347 3.837 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416710129 WPYFDYBVPVUBRE-LBPRGKRZSA-N 258.365 3.500 30 20 CHED Cc1ccc(C[C@H](C)N[C@H]2CCC[C@H](C#N)C2)c(C)c1 185825727 MKMUXPWZKOTWGJ-BQFCYCMXSA-N 270.420 3.906 30 20 CHED N#CC1(CSCc2nc(C3CC3)cs2)CCC1 419460117 HYOPKIIJZYAYLN-UHFFFAOYSA-N 264.419 3.948 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(-c2cc[nH]n2)c1 185922253 GGVIKEVHGPYCJL-CYBMUJFWSA-N 298.390 3.943 30 20 CHED C[C@H](CCC(=O)OCC1(C#N)CCC1)c1ccccc1 183861675 LLQIJXMKDWNSPM-CQSZACIVSA-N 271.360 3.807 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cccc(F)c1F 182721660 SGEXJYMJBFAHMV-SNAWJCMRSA-N 296.219 3.845 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC(C)(C)C2)c1 509749206 XZFUKQITAODDOF-AWEZNQCLSA-N 288.391 3.952 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1cccc(CC#N)c1 42198983 FPJGBDSFEINJLZ-CQSZACIVSA-N 272.392 3.697 30 20 CHED CC[C@H](CC#N)NCc1cccc(-c2cccnc2)c1 184090000 KMILBGPMXQYDBC-QGZVFWFLSA-N 265.360 3.530 30 20 CHED C#Cc1cccc(NCc2cnc(C3CC3)s2)c1 130501719 OQXIUQQBOBLNBN-UHFFFAOYSA-N 254.358 3.614 30 20 CHED C=CCC[C@H](NC(=O)CC1CCOCC1)c1ccccc1 133763298 UAZOBPORTYRMAN-KRWDZBQOSA-N 287.403 3.627 30 20 CHED N#Cc1cccc(CSCc2ccc3c(c2)OCO3)c1 507151805 KYTNLRZFPPQTGL-UHFFFAOYSA-N 283.352 3.720 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccnc2Cl)s1 134508175 PQBYGNGYEJTMGP-HWKANZROSA-N 274.732 3.564 30 20 CHED C[C@H](C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C)c1cccc(C#N)c1 412830695 VNGXUGQQQRRMRO-JQFCIGGWSA-N 298.430 3.993 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)C1 503661969 DLTPAGCQWYCJMF-KDEOKCCVSA-N 276.424 3.647 30 20 CHED CC1(C)/C(=C/c2cccc(O)c2)C(=O)c2ccccc21 194581416 HBEFDOXXUWHDKF-LFIBNONCSA-N 264.324 3.950 30 20 CHED N#Cc1ccc(CN(C(=O)CC2CCCC2)C2CC2)cc1 193050472 KKKGUWPREVRLFO-UHFFFAOYSA-N 282.387 3.630 30 20 CHED CCCCCCCN1CCC(CCC(=O)O)CC1 88362867 WTXCDALYIINASF-UHFFFAOYSA-N 255.402 3.534 30 20 CHED Cc1cc([C@H](C)NCc2ccccc2C#N)c(C)o1 44730548 QGNXKYWUYJNHIQ-LBPRGKRZSA-N 254.333 3.619 30 20 CHED C=CCSCC(=O)N[C@H](c1ccc(F)cc1)C(C)C 193377389 RKHYENJUFUGUEA-HNNXBMFYSA-N 281.396 3.558 30 20 CHED Cc1cccc([C@@H](C)OC(=O)c2cc(C#N)cs2)c1 83942575 TWZJPBXKZNWMBL-LLVKDONJSA-N 271.341 3.846 30 20 CHED N#Cc1csc(C(=O)NCc2ccc3ccccc3c2)c1 84075992 IFVJMQYFAXHFDM-UHFFFAOYSA-N 292.363 3.703 30 20 CHED N#CC1(C(=O)N[C@@H]2CCCc3ccccc32)CCCCC1 49074241 ODEQFGYXYWOZCI-MRXNPFEDSA-N 282.387 3.654 30 20 CHED N#CCCCOc1cccc(NCc2ccc(C#N)s2)c1 135684961 OMUHHRZZHGXWNK-UHFFFAOYSA-N 297.383 3.914 30 20 CHED N#CCC1(CN[C@@H](Cc2ccncc2)c2cccs2)CC1 424357148 WCDYPKCGBVLXMF-HNNXBMFYSA-N 297.427 3.710 30 20 CHED C[C@@H](CCc1ccc(F)cc1)NCc1ccc(C#N)s1 421353693 UFJODRIUKQCTGY-LBPRGKRZSA-N 288.391 3.870 30 20 CHED CCCCCCCCCCNC(=O)c1c[nH]c(C)cc1=O 228334770 NXCFZEMQUJMGPX-UHFFFAOYSA-N 292.423 3.554 30 20 CHED C=CCC[C@@H](NC[C@H]1CCN(Cc2ccccc2)C1)C1CC1 195137095 CGFKDNPZKZKIMV-UYAOXDASSA-N 298.474 3.843 30 20 CHED Cc1cc([C@H](C)NC(=O)c2cc(C#N)cs2)c(C)s1 84077109 PXXPTSQYOLHGGX-VIFPVBQESA-N 290.413 3.789 30 20 CHED N#Cc1ccc(/C=C/c2ccc(OCC3CC3)cc2)nc1 191272646 VFAIZJDPSKOWGC-XVNBXDOJSA-N 276.339 3.912 30 20 CHED C[C@@H]1CC=CC[C@H]1C(O)=Nc1ccc2c(c1)OCC(O)=N2 328873565 JCIPOFPNQJUITC-ZYHUDNBSSA-N 286.331 3.857 30 20 CHED CC(C)CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)C 80877285 KZTXAIWRTDPIAM-DLBZAZTESA-N 284.403 3.555 30 20 CHED C=CCCCNc1ccc(C)c(C(=O)N(C)C(C)C)c1 195455725 XMRPEAURIREANH-UHFFFAOYSA-N 274.408 3.854 30 20 CHED N#Cc1cccc(NC(=O)C2CCCCCCC2)c1 86579632 RWRGUGIAQRDTIG-UHFFFAOYSA-N 256.349 3.857 30 20 CHED CN(Cc1cc2ccccc2o1)Cc1ccccc1C#N 80061917 JNLWSTRJGCVCHO-UHFFFAOYSA-N 276.339 3.936 30 20 CHED N#C[C@@H]1CCC[C@@H](NC2(c3ccccc3)CCC2)C1 193088507 USALYLDUBPUTKC-GDBMZVCRSA-N 254.377 3.738 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1O[C@H](C)C[C@@H]1C 330181029 NSKKKZWOGRQPQN-LYOVBCGYSA-N 299.374 3.787 30 20 CHED Cc1ccc(C[C@@H](N[C@@H]2CC[C@H](C#N)C2)C(C)C)cc1 424315674 AIYCXSCPXGGCQE-RCCFBDPRSA-N 270.420 3.844 30 20 CHED Cc1c(NC(=O)C2CCCCCC2)ccc(C#N)c1C#N 421564421 ZEAWWAKTXUVGNA-UHFFFAOYSA-N 281.359 3.647 30 20 CHED C[C@@H](CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1 143446589 HPJGISXBNNFRRH-AWEZNQCLSA-N 278.355 3.715 30 20 CHED C=C(C)[C@@H]1OCCC[C@@H]1c1nc(C2CCSCC2)no1 335604770 RQJUSZCUIFPPDY-STQMWFEESA-N 294.420 3.519 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCCC[C@H](C)C2)c1 332267143 CYZNTSIYFLIFEG-LBPRGKRZSA-N 271.364 3.521 30 20 CHED CCC(CC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 192463124 MHOXVMXHEDMRBQ-UHFFFAOYSA-N 258.365 3.862 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CC[C@H](C#N)C1)CC3 333466529 HOPHZRCKIBFZPV-RRFJBIMHSA-N 293.414 3.616 30 20 CHED N#CCCCCNCc1ccc(-c2ccccc2)o1 237817162 TYWWMDLUWACRGR-UHFFFAOYSA-N 254.333 3.730 30 20 CHED Cc1nc2c(/C(O)=N/CCC(C)(C)C)cccc2o1 331014990 XOZWLYJDCMTEAQ-UHFFFAOYSA-N 260.337 3.877 30 20 CHED C=CCC[C@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1ccco1 425934848 FNNJHSIMTUQIRB-NBOOPKSLSA-N 289.419 3.818 30 20 CHED C=CC[C@H](C(=O)N1CC(C)(C)[C@H]1C1CC1)c1ccccc1 427250685 PYQOPTKFHADZEQ-DLBZAZTESA-N 283.415 3.993 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)Cc1ccoc1C 338827325 HRPQRYNNETYPTO-UHFFFAOYSA-N 288.395 3.515 30 20 CHED N#Cc1ccc(NCCCc2ccccc2)cc1[N+](=O)[O-] 94591654 HTWGNSPSYGVRDB-UHFFFAOYSA-N 281.315 3.511 30 20 CHED C=CCC[C@@H](NCc1cccc2c1OCCCO2)C1CC1 90546658 RURQOUHMEWELMS-MRXNPFEDSA-N 287.403 3.682 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1ccccc1C#N 335666894 KHAJJHKUMOMYOR-UHFFFAOYSA-N 268.316 3.835 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Cc2cncc3ccccc23)CC1 335969489 YVPJWBBQFFBAMK-HNNXBMFYSA-N 294.398 3.592 30 20 CHED N#CC1(CN2CCC(c3nc4ccccc4s3)CC2)CC1 334895289 DUWGWXMIOXCLFO-UHFFFAOYSA-N 297.427 3.779 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccsc1 93101059 XWWQYRWSPQLXMX-UHFFFAOYSA-N 250.411 3.900 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)C[C@H](C1CC1)CC2=O 333170156 NOFOBHXZLKZONG-ZDUSSCGKSA-N 276.339 3.570 30 20 CHED CCc1ccc(N/C(O)=N/C2(CC)CCOCC2)cc1C 330829649 TYCLWCZODJBIGD-UHFFFAOYSA-N 290.407 3.843 30 20 CHED COCCC/N=C(/O)Nc1ncc(C2CCCCC2)s1 330813178 PIDOSALZTYLXTK-UHFFFAOYSA-N 297.424 3.553 30 20 CHED Cc1nc(-c2nc([C@@H]3CCC[C@H](C)C3)no2)ccc1C#N 331691890 SVMGCXVNSBAIPQ-CMPLNLGQSA-N 282.347 3.605 30 20 CHED COc1cc(C)cc(N/C(O)=N/C[C@H]2CCCS2)c1C 331176024 VRKXCECEPHVETL-GFCCVEGCSA-N 294.420 3.534 30 20 CHED COc1cccc(C[C@@H]2CCCCCN2CC2(C#N)CC2)c1 528749470 NVWMPGJKYCLCQQ-KRWDZBQOSA-N 298.430 3.786 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CCC1 341871967 GUKHEMICIQNQEJ-SJCJKPOMSA-N 254.377 3.714 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 248410889 DJDFGVMMZIMNQD-JQFCIGGWSA-N 282.387 3.710 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1ccccc1OC 436314827 ZNBTUUNREDTUSR-HFTRVMKXSA-N 289.419 3.717 30 20 CHED C[C@H]1CCCC[C@@H]1CN(CCC#N)Cc1ccco1 346210412 OGZGASBQCQFOAP-LSDHHAIUSA-N 260.381 3.822 30 20 CHED COCC(C)(C)CCCN[C@H](C)c1ccc(C#N)cc1 348342340 ZIPYBOPJVBQUMZ-CQSZACIVSA-N 274.408 3.662 30 20 CHED CC[C@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1OC(F)F 437633763 YOKDYSOCTVESCH-FZMZJTMJSA-N 294.345 3.780 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@@H](OCC)C12CCC2)C1CC1 438980452 RZMHSOGMHAJHEI-ARFHVFGLSA-N 263.425 3.669 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 246564934 RMGRNZQGPDRSCN-GUYCJALGSA-N 298.411 3.582 30 20 CHED CN(C[C@@H]1CC=CCC1)C(=O)Nc1cc(F)cc(C#N)c1 603077654 XYWCSTMGPUSARK-GFCCVEGCSA-N 287.338 3.517 30 20 CHED C=C(Br)CN(C)Cc1ccccc1Cl 52439914 CNMSRSXIQLFKGW-UHFFFAOYSA-N 274.589 3.680 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)CCc1ccco1 523565731 AXKKRXQIQBJKIW-HNNXBMFYSA-N 292.423 3.989 30 20 CHED N#CC1(C(=O)Nc2ccc(Cl)c3ncccc23)CCCC1 603447441 NFNGMNWWJLEFCF-UHFFFAOYSA-N 299.761 3.911 30 20 CHED Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1 254852062 GDJINGABFNDNBO-UHFFFAOYSA-N 295.367 3.962 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccco2)ccc1OC 255155211 ZVLMDEHTTXULAF-VURMDHGXSA-N 272.300 3.583 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 602614379 XZXGJIQPHCUXFT-LMMKCTJWSA-N 297.446 3.636 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc2ccc(C)nc12 341632666 OHAWGJSSAQFCIJ-CQSZACIVSA-N 268.360 3.628 30 20 CHED C[C@H](N[C@H](C)CC#N)c1ncc(-c2ccc(Cl)cc2)o1 602870702 VSIBBLQVXRSWIE-MNOVXSKESA-N 289.766 3.948 30 20 CHED COC1(CN[C@@H](C)c2ccc(C#N)cc2)CCCCC1 184670821 PEKATVQHGWZSCP-AWEZNQCLSA-N 272.392 3.558 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc(C#N)cc1 255668251 UBELYVBQJNMOIO-CLFYSBASSA-N 265.287 3.902 30 20 CHED C=CCCCCCN(C)C(=O)NCCCC(F)(F)F 440244327 RSHORIFWNHCWLB-UHFFFAOYSA-N 280.334 3.717 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1cc(Cl)ccc1O 255279138 ODVBFCVZSJHDBF-XQRVVYSFSA-N 277.707 3.547 30 20 CHED C[C@H](CCC#N)CNCc1cccc2ccsc12 602700462 SJLMVZZDBXHIDP-GFCCVEGCSA-N 258.390 3.931 30 20 CHED COc1cccc(/C=C\C(=O)c2sccc2C)c1OC 255048888 YAQFLQBUCARYMW-FPLPWBNLSA-N 288.368 3.970 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc2[nH]ccc2cc1C 444965066 HDYGWCGZXXLIOV-LLVKDONJSA-N 257.337 3.562 30 20 CHED Cn1ncc2c1CC/C(=C\c1cccc3ccccc13)C2=O 255498330 YPUGIMVMSQSOAU-RVDMUPIBSA-N 288.350 3.786 30 20 CHED C[C@H](C1CC1)N(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC1 354396320 UGYDIVXVGVXWOD-RHSMWYFYSA-N 296.414 3.863 30 20 CHED C=CCCC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 602716485 JBCRCGAVQKPJNX-UHFFFAOYSA-N 289.335 3.570 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)cc1C#N 255334568 AOWZZPIWWDERHI-RQOWECAXSA-N 299.276 3.741 30 20 CHED CC1(C)CCCN(Cc2cccc3ncccc23)[C@H]1C#N 602634522 RZRYKOMDYGJWNP-KRWDZBQOSA-N 279.387 3.749 30 20 CHED Cc1ccc(C(=O)N(C2CC2)[C@H](C)C#N)cc1C(F)(F)F 600097975 HKZLUVXWWVDJFS-SNVBAGLBSA-N 296.292 3.531 30 20 CHED C=CCN(C(=O)Cc1coc2cc(C)c(C)cc12)C1CC1 536816284 RHSBSTRAIIGSLF-UHFFFAOYSA-N 283.371 3.769 30 20 CHED CC1(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCCC1 443447985 QPZCFWOMUSLVKC-UHFFFAOYSA-N 296.330 3.759 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1C[C@H]1CC(C)C 602393586 VZZLGTHZXVXGAI-UKRRQHHQSA-N 288.366 3.673 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCOc2c(F)cccc21 443194920 PXSUBHKHHIZGLW-DOMZBBRYSA-N 263.356 3.984 30 20 CHED C=C(CC)CNC1CCN([C@@H]2CCC[C@H](C)C2)CC1 449735472 QXTZIGKHCMWKCK-DOTOQJQBSA-N 264.457 3.585 30 20 CHED Cc1ccsc1CCNc1c(F)cc(C#N)cc1F 538004957 SIPRKGCPSMTFJF-UHFFFAOYSA-N 278.327 3.861 30 20 CHED N#CCCCCN[C@@H]1CCCC[C@@H]1c1ccccc1 268898087 LWANPWSKBCIMIE-IAGOWNOFSA-N 256.393 3.996 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cccc(-c2ccccn2)c1 449548755 QKCWMMMKAWTNLA-MOPGFXCFSA-N 294.398 3.572 30 20 CHED C=CCCCC(=O)Nc1nc2cc(C)ccc2n1CC 538360322 GMVZOTJWCUKTFN-UHFFFAOYSA-N 271.364 3.659 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1CC(=O)c1cccs1 268035120 WITQQKJGEWYNON-CYBMUJFWSA-N 291.416 3.668 30 20 CHED CC1(C)CCCN(Cc2cc3ccc(F)cc3[nH]2)[C@@H]1C#N 446975393 QUCGNOOWCWGYRQ-MRXNPFEDSA-N 285.366 3.821 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CC12CCCC2 354101467 ULPACEBQQULTKU-CYBMUJFWSA-N 283.375 3.509 30 20 CHED Cc1ccc(C(=O)CSc2ccc(C#N)cn2)cc1C 357068501 NWQVNDPXUWKPKB-UHFFFAOYSA-N 282.368 3.545 30 20 CHED C=CCC1(CN[C@H]2CCO[C@@H](C(C)C)C2)CCCC1 449604552 KPXBUYMVYCXQKO-JKSUJKDBSA-N 265.441 3.916 30 20 CHED C[C@@H](NCc1ccc(C#N)o1)c1cc2cccc(F)c2o1 353208541 QPAJHYLCXPDKLQ-SNVBAGLBSA-N 284.290 3.887 30 20 CHED N#Cc1ccc(CN[C@@H](c2cccs2)C2CC2)c(F)c1 532588872 RGGRMKFXEGINMZ-MRXNPFEDSA-N 286.375 4.000 30 20 CHED N#CC[C@H](CC(=O)N[C@H](C1CCC1)C1CC1)c1ccccc1 457250610 PWVHSRVISMRWMO-IEBWSBKVSA-N 296.414 3.769 30 20 CHED CC(C)[C@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 530879572 FVVUPVANYKCITH-UONOGXRCSA-N 262.422 3.924 30 20 CHED C=C(CC)CSCC(=O)NC1CCCCCC1 539094894 AZYWHFVLGMFIPP-UHFFFAOYSA-N 255.427 3.525 30 20 CHED CC(C)Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 613365869 ZLALYAQHIPLFEO-SFHVURJKSA-N 286.419 3.943 30 20 CHED CSc1cccc(C)c1NC(=O)N(C)CC(C)(C)C#N 455148203 HMBQUPAJCAKKKI-UHFFFAOYSA-N 291.420 3.730 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCOc2ccccc2)C1 617789470 KEMUQPKPRKNTOQ-MRXNPFEDSA-N 287.403 3.660 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 454459186 HNVIXFBUJWRMAH-NSHDSACASA-N 295.452 3.767 30 20 CHED CC(C)C(NC(=O)N[C@@H](C)c1cccc(C#N)c1)C(C)C 610907613 GBTJVDXFNRDLFC-ZDUSSCGKSA-N 287.407 3.599 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)C1CCC(F)(F)CC1 458805760 AWKDJKVQBYEIHJ-UHFFFAOYSA-N 288.382 3.808 30 20 CHED COc1ccc([C@H](C)N(C)Cc2cccc(C#N)c2F)cc1 539197634 OABILCFBAVFNNE-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 617610905 DNJLYSRSLWRUBQ-QWHCGFSZSA-N 283.293 3.501 30 20 CHED Cc1ccc(F)c(CN[C@@H]2CCc3cc(C#N)ccc32)c1 618741364 FGNDVDSDFOHZBE-GOSISDBHSA-N 280.346 3.783 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)CCC1 619201547 FRJKJOKLORPIJF-CVEARBPZSA-N 291.435 3.541 30 20 CHED Cc1cc2cc(C(=O)N3CCC[C@@](C)(C#N)C3)oc2cc1C 612233937 WKEAXXFUSXRQJE-SFHVURJKSA-N 296.370 3.816 30 20 CHED C=CCC1(C(=O)NCCC[C@@H]2CCCCO2)CCCCC1 450608934 CKOXOTMHGFUNTP-INIZCTEOSA-N 293.451 3.979 30 20 CHED COc1ccc(C#N)cc1NCc1cc2ccccc2[nH]1 619073996 PUMLPSIYDNEWTH-UHFFFAOYSA-N 277.327 3.660 30 20 CHED CCC1(NC(=O)[C@H](C#N)CCc2ccccc2)CCCC1 452962728 WASNPODXNIFACF-INIZCTEOSA-N 284.403 3.598 30 20 CHED COc1cc(C#N)ccc1OCCCc1ccsc1 360949319 IUWMWEZYHJTLIJ-UHFFFAOYSA-N 273.357 3.640 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H]1CCCC[C@@H]1CC 459085786 WALRPPGUTOPUGD-KBPBESRZSA-N 252.402 3.563 30 20 CHED C=CCC1(CNC(=O)Cc2nc(CC)cs2)CCCC1 456511763 TZWFNVJMQRJADF-UHFFFAOYSA-N 292.448 3.501 30 20 CHED C=CC(C)(C)CNC(=O)c1ccccc1CSCC 452777632 VXBTWZAUMKZGGM-UHFFFAOYSA-N 277.433 3.882 30 20 CHED C=CC[C@@H](C(=O)OCc1nc(C)cs1)c1ccccc1 275046387 NQPWMEHOYRAHKY-CQSZACIVSA-N 287.384 3.855 30 20 CHED CCOc1ccc(C#N)cc1NCCCOC(C)(C)C 610681163 FQKWSNVBAWQEOQ-UHFFFAOYSA-N 276.380 3.574 30 20 CHED CCc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 618743059 VKQWLKISZQBLEG-LJQANCHMSA-N 276.383 3.898 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(Cl)o2)no1)OCC 278006558 WWLZZRIBBTXYRY-JTQLQIEISA-N 282.727 3.507 30 20 CHED CCC(CC)CN(CC)C(=O)c1ccc(CC#N)cc1 270201988 CILXIQFCWVJKBE-UHFFFAOYSA-N 272.392 3.651 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2nccn2CC)CCCCC1 456348031 KCFRNVSDTHFWBT-AWEZNQCLSA-N 289.423 3.607 30 20 CHED CC[C@@H](C)N(C)C(=O)Nc1ccc(CC#N)cc1Cl 455711268 YHGZMEWZQHCBND-SNVBAGLBSA-N 279.771 3.668 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 279612145 QZIWGIUBPCGMQP-RYUDHWBXSA-N 275.314 3.556 30 20 CHED C=CCOCCCC(=O)N(CC)[C@H](C)Cc1ccsc1 275144679 WJPNEXPWZPXOGD-CQSZACIVSA-N 295.448 3.510 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC[C@H](OCC)C1CCCC1 541239837 PRIBYONVVGZOGB-CVEARBPZSA-N 296.455 3.626 30 20 CHED C=CCC[C@@H](Nc1cccc(OCCN(C)C)c1)C1CC1 540840723 NEQUZPSLGTYUAH-GOSISDBHSA-N 288.435 3.784 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@@]2(CCSC2)C1 450899423 DMFPJDBSVPRIBR-OAHLLOKOSA-N 292.835 3.935 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)NCc1ccc(C#N)cc1 457662139 NJGPATINQMAKEY-GOSISDBHSA-N 299.418 3.668 30 20 CHED C=CCNC(=O)[C@@H](C)Nc1ccc(-c2ccccc2)c(C)c1 547239668 PREBBCOXFUNWHA-OAHLLOKOSA-N 294.398 3.765 30 20 CHED C=CCCCCCCNC(=O)N1CCCC[C@H](COC)C1 377043775 MXJQCUXHWWQSLZ-INIZCTEOSA-N 296.455 3.581 30 20 CHED CCCN(C(=O)CC(C)(C)C#N)[C@H]1CCc2ccccc2C1 469573962 DGKPKCRBRWRLSY-KRWDZBQOSA-N 298.430 3.722 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CC(C2CCCC2)C1 373679283 GSROZHIJDFEBMS-UHFFFAOYSA-N 295.308 3.598 30 20 CHED N#Cc1cccc(CCN[C@@H](c2ccccc2)C2CC2)c1 467449519 QAOVOQAADWNIGY-IBGZPJMESA-N 276.383 3.842 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](CC)c1ccc(F)cc1 466540425 OJCIVKTVWSOSKU-CABCVRRESA-N 263.356 3.790 30 20 CHED COc1cccc(CCNc2c(Cl)cccc2C#N)c1 462794042 XVEFEQADEPBDNG-UHFFFAOYSA-N 286.762 3.875 30 20 CHED CC(C)c1scnc1C(=O)Nc1ccc(CC#N)cc1 289363590 AAOPHODHODLWSE-UHFFFAOYSA-N 285.372 3.585 30 20 CHED Cc1nc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)co1 289398037 NBQNMFXWSTUSFO-UHFFFAOYSA-N 294.314 3.501 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@](C)(CCC)C1 466406967 VVWNGPKXEXVREO-GOEBONIOSA-N 266.429 3.953 30 20 CHED C=CCC[C@@H](NC[C@@H](C)Cn1ccnc1C)c1ccco1 286017607 JNNMNZXCUGLAMB-GDBMZVCRSA-N 287.407 3.718 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cc(F)cc(F)c1 281054533 SVHAVXXITXVPAJ-SNAWJCMRSA-N 290.313 3.947 30 20 CHED C=C(CC)CSCCOCC(F)(F)C(F)(F)F 468621767 OOVJXBGXJFSBKF-UHFFFAOYSA-N 278.286 3.900 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 286772925 LRNNHMNFNZADRB-SJLPKXTDSA-N 284.403 3.853 30 20 CHED COc1cccc2c1CCC[C@H]2NCC(C)(C)CCC#N 554077038 LOHCGMONULJGIT-MRXNPFEDSA-N 286.419 3.992 30 20 CHED C[C@@H]1CC[C@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1 479555822 PGKYXTZJCSTWIW-UPJWGTAASA-N 260.356 3.784 30 20 CHED CC(C)[C@@H]1CN(C(=O)c2ccc(C#N)cc2)c2ccccc21 470423114 XEHZMXCHISNBHC-KRWDZBQOSA-N 290.366 3.958 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(C2CCCC2)C1 474667571 TWUQVFZPAHDBMR-CYBMUJFWSA-N 264.413 3.563 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)CCC1 478949231 GOEZAIXSEGJFIY-RBGFHDKUSA-N 273.420 3.674 30 20 CHED C=CCCCCCCNC(=O)N1CCCC[C@H]1C=C 807571684 NBDIETUDEZKFSU-OAHLLOKOSA-N 264.413 3.873 30 20 CHED C=CCC(F)(F)c1nc(C2Cc3ccccc3C2)no1 556293260 RQFKVSMHNXVCAQ-UHFFFAOYSA-N 276.286 3.620 30 20 CHED Cc1cc(N2CCC[C@@H](Cc3ccccc3)C2)cc(C#N)n1 553409179 NLBRPRONKUAVJR-KRWDZBQOSA-N 291.398 3.721 30 20 CHED C[C@@H](NN=Cc1c[nH]c(C(F)(F)F)c1)c1ccccc1 807966632 PAHWCKOIWLSSSZ-SNVBAGLBSA-N 281.281 3.718 30 20 CHED C#C[C@H](N[C@H](CCc1ccccc1)C(F)F)C(C)C 809685670 JOOMKWGSGUFPMK-LSDHHAIUSA-N 265.347 3.500 30 20 CHED C=C(CNC(=O)/C=C(/C)C(C)(C)C)c1ccccc1 807798725 ZHVWRSUFFOBBFH-KAMYIIQDSA-N 257.377 3.808 30 20 CHED C[C@@H](CCC#N)Sc1nc2ccc([N+](=O)[O-])cc2s1 298480865 UQFCLEXXAOSVLU-QMMMGPOBSA-N 293.373 3.989 30 20 CHED CCO[C@@H]1CC(=NNc2c(C)cc(C)cc2C)[C@@H]1SC 807974771 UCFHZQUBYLZHGL-ZBFHGGJFSA-N 292.448 3.920 30 20 CHED C=CC(C)(C)C(=O)Nc1cc2c(cc1Cl)CCC2=O 297952989 GFPRIBXRWRTLQI-UHFFFAOYSA-N 277.751 3.620 30 20 CHED Cn1cnc(/C=C2\CCCc3ccc(Cl)cc3C2=O)c1 800793657 NQVKWVHTUZHBJT-KPKJPENVSA-N 286.762 3.676 30 20 CHED CC(C)Oc1cccc([C@H](C)OC(=O)CCCC#N)c1 291737906 MVIAUSDSAFFEMM-ZDUSSCGKSA-N 275.348 3.772 30 20 CHED C=CCCC1(C(=O)N(CC)CCc2ccccc2)CC1 474771826 CXRGPSKDKYYJHH-UHFFFAOYSA-N 271.404 3.824 30 20 CHED C=CCN(C)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 474361101 ZZEIHJLYAQYBQQ-UHFFFAOYSA-N 279.811 3.943 30 20 CHED COC(=O)c1cnc(SCCCCC(C)(C)C#N)s1 295001586 DESQYIFXGJKFKE-UHFFFAOYSA-N 298.433 3.742 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H](C)c1ccc(CC)cc1 561018372 CZDVMRLISCXEPK-OAHLLOKOSA-N 284.403 3.671 30 20 CHED CC[C@H](c1ccccc1)N(CC)C(=O)CCCC#N 292365668 PCZVHNVSKAUKFB-OAHLLOKOSA-N 258.365 3.680 30 20 CHED C=CCCC(=O)N1Cc2cc(C)ccc2CC1(C)C 293982574 CBIZSKSRWKUDKA-UHFFFAOYSA-N 257.377 3.625 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2ccccc2C)C1 292377828 WECANCQCGXQVGF-OAHLLOKOSA-N 271.404 3.913 30 20 CHED N#CC1(CSc2ncc(-c3ccc(F)cc3)[nH]2)CC1 562141091 LLQXIGRVKVLJGN-UHFFFAOYSA-N 273.336 3.612 30 20 CHED CC[C@@H](NCC(C)(C)[C@@H](O)C(C)C)c1ccc(C#N)cc1 562498749 KHJZBAIOJPKRMT-SJORKVTESA-N 288.435 3.642 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 563608011 KHAYZMWROWXIPW-HZPDHXFCSA-N 282.387 3.908 30 20 CHED N#CC1(CNC(=O)c2ccc(C3=CCCC3)cc2)CCC1 563519749 DWGVDWSJXQVWNI-UHFFFAOYSA-N 280.371 3.678 30 20 CHED C=CCc1ccccc1OCCCO[C@H]1CCCCO1 564077678 DYQKMGOQRGTHFR-KRWDZBQOSA-N 276.376 3.727 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccc(-c2ccccc2)o1 815068979 JSHBGYQWAMHCAK-UHFFFAOYSA-N 291.297 3.774 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC[C@H](F)C1)c1ccccc1 563235724 JQPJWOQRLPAWIL-JKSUJKDBSA-N 290.382 3.837 30 20 CHED C=CCC(F)(F)C(=O)N(CCC)Cc1ccc(OC)cc1 814942526 GZRVVGOTIWFUFN-UHFFFAOYSA-N 297.345 3.645 30 20 CHED C=CCCCCCCCNc1nc(C)cc(C#N)n1 811848004 MCQYSNUPCOJAJK-UHFFFAOYSA-N 258.369 3.595 30 20 CHED C=C[C@H]1CCCCN1Cc1coc(-c2ccc(OC)cc2)n1 489430438 QRTIIFGBFZIBTE-INIZCTEOSA-N 298.386 3.891 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1cc(F)ccc1F)C2 811695761 LNEJNZXMOQDDSM-QPEQYQDCSA-N 281.261 3.659 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@@H](C)[C@@H]1C)c1ccccc1 489676443 SGJHANTVLOSINQ-VYDXJSESSA-N 271.404 3.993 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(C#N)c(F)c1 483578330 IRJKHUMJBWNBRX-UHFFFAOYSA-N 294.373 3.928 30 20 CHED C=CCCCCOC(=O)c1ccc(C#N)c(Cl)c1 811013393 SOLCISRVMFWVFU-UHFFFAOYSA-N 263.724 3.725 30 20 CHED Fc1ccc(C#CCN(CC2CCC2)CC2CC2)cc1 483270323 OQDALRCFAZWVJN-UHFFFAOYSA-N 271.379 3.689 30 20 CHED C=CCCOCCCCC(=O)N1CC(C)(C)[C@H]1C(C)C 480447488 LZYYAUOAPVTOOQ-MRXNPFEDSA-N 281.440 3.642 30 20 CHED CC(=NNc1ccccc1F)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814790387 SNJBSYQFBODFFP-NEPJUHHUSA-N 292.354 3.751 30 20 CHED Fc1cc(NN=Cc2cscc2C(F)(F)F)ccn1 811647496 OPONFXCSHWJVAJ-UHFFFAOYSA-N 289.257 3.747 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3cnc(C)s3)c2c1 488263562 NPNXTSOMVLBOOS-UHFFFAOYSA-N 295.367 3.759 30 20 CHED N#CCCNc1ccc(CC[C@@H](O)c2ccccc2)cc1 819483398 WDMVJEPBEYZGJS-GOSISDBHSA-N 280.371 3.678 30 20 CHED CC(C)(C)c1ccnc(N[C@@H]2CCc3cc(C#N)ccc32)n1 814882163 HZLMGTYOMMUHPH-OAHLLOKOSA-N 292.386 3.745 30 20 CHED Fc1ccc(NN=C/C=C\c2ccco2)c(F)c1F 814945652 JZTJGMNQRRFJCU-UXEJMFGZSA-N 266.222 3.808 30 20 CHED N#CCC[C@H](C#N)CN[C@@H](CC1CCC1)c1ccccc1 573834928 IDUSCKLBOJICBN-AEFFLSMTSA-N 281.403 3.951 30 20 CHED C=CCC(F)(F)C(=O)N(C)c1cccc(SC)c1 815243205 QWFPPIDTXOWSBR-UHFFFAOYSA-N 271.332 3.583 30 20 CHED C=CCCCCOC(=O)c1cnc(-c2cccnc2)s1 811014562 ZPGSCGJRMPOSEC-UHFFFAOYSA-N 288.372 3.718 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1cccc(C2CC2)c1 814681711 YUKMGKSVHVKTSA-UHFFFAOYSA-N 280.375 3.807 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)C2CCCCC2)CC1 482634995 TWCPTXWCBARXDU-GOSISDBHSA-N 278.484 3.975 30 20 CHED C=C(Cl)CNCc1ccc(Sc2ccccn2)o1 814294194 NTLQARWOOLLHMK-UHFFFAOYSA-N 280.780 3.668 30 20 CHED CCO[C@@H]1CC(=NOC2CCC2)C12CCCCC2 812236754 UXLKHPXWHDFBNQ-CQSZACIVSA-N 251.370 3.671 30 20 CHED CC(=NOCC1CC1)c1sc(C(C)(C)C)nc1C 814245426 ZTUXNWPOHQOKIY-UHFFFAOYSA-N 266.410 3.900 30 20 CHED C#C[C@H](C)NC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 820440414 KPINZZJFGMVFKI-AWEZNQCLSA-N 284.403 3.506 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)c2ccccc21 575625565 QSHQLRQFPPZVOS-LLVKDONJSA-N 295.317 3.853 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(C)n(CC)c1C 728226020 DOTDGLAWPTWLIO-UHFFFAOYSA-N 294.402 3.919 30 20 CHED C=C(Br)CN(C1CC1)[C@H](C)[C@H](C)CC 729545313 SVDYUPBWXWQCCC-MWLCHTKSSA-N 260.219 3.794 30 20 CHED C=C(C)CNC(=O)c1ccc(OCCCCC)cc1 490028581 UNBFCQSETVDULR-UHFFFAOYSA-N 261.365 3.562 30 20 CHED CCCCc1ccc(NC(=O)c2ccc(C#N)c(C)n2)cc1 495274592 YTBNVOROLFWZHT-UHFFFAOYSA-N 293.370 3.857 30 20 CHED C=CCC1(NC(=O)Nc2ccc(C)nc2C)CCCC1 666314907 NOUIBOYRHWACDA-UHFFFAOYSA-N 273.380 3.709 30 20 CHED COc1cc(C(=O)/C=C\c2cccc3ccccc23)on1 821021001 AEEBTBVPNIKGTN-KTKRTIGZSA-N 279.295 3.733 30 20 CHED Oc1ccc2ccccc2c1C=Nn1cnc2ccccc21 725848346 QKPKJLDENZTCOH-UHFFFAOYSA-N 287.322 3.777 30 20 CHED C[C@@]1(CNC(=O)c2sccc2C#N)C[C@H]1c1ccccc1 582021801 KCWHFRACGCPLTA-YOEHRIQHSA-N 296.395 3.543 30 20 CHED C=C[C@@H](CC)CC(=O)N(CCCC)c1cccnc1 906075596 NOCPYFLPMUREKB-AWEZNQCLSA-N 260.381 3.817 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(F)c(C(F)(F)F)c1 736965435 SQMXFYOJHPUVAS-UHFFFAOYSA-N 296.651 3.719 30 20 CHED CC(C)(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739591100 RIFISJNCGATTSE-UHFFFAOYSA-N 298.411 3.949 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1ccccc1)c1ccc(C)cc1 495061410 DAMUSWGFLWMWRX-PXNSSMCTSA-N 295.426 3.859 30 20 CHED C#CCOc1ccc(CNC[C@H](C)c2cccc(F)c2)cc1 733325251 AVBHWVSVIMZNPI-HNNXBMFYSA-N 297.373 3.731 30 20 CHED C=CCCNC(=O)N(C)C1CCC(CCC)CC1 665943418 UECVTVWVBZKKCC-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=CCC1(NC(=O)Nc2cc(C)ns2)CCCCC1 836442435 BCHWLEJBDNJUPL-UHFFFAOYSA-N 279.409 3.852 30 20 CHED C=CCn1c(N2CCCC(C)(C)CC2)nnc1C(C)(C)C 580014149 XYNGOPUTIBAAAP-UHFFFAOYSA-N 290.455 3.778 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)C#CC(C)(C)C)c1C1CC1 837505026 WPVHFMAZFRGCNM-GFCCVEGCSA-N 287.407 3.720 30 20 CHED CC(C)(C#N)C[C@@H](O)CNc1cccc(OC(C)(C)C)c1 905654467 OTNLRSIFRRLEIH-CQSZACIVSA-N 290.407 3.577 30 20 CHED C[C@@]1(C(=O)OC[C@@H](C#N)Cc2ccccc2)CC=CCC1 835210281 PKFHGQXNCRWAMU-SJLPKXTDSA-N 283.371 3.658 30 20 CHED CC[C@@H](Nc1cnn(CC(F)F)c1)c1cccc(C#N)c1 902915921 AVCYIDHCSVZDQI-CQSZACIVSA-N 290.317 3.583 30 20 CHED Cc1csc(NC(=O)Cc2cccc(C3CC3)c2)c1C#N 580538306 UOXXWKHWOXYVSI-UHFFFAOYSA-N 296.395 3.987 30 20 CHED Cc1ccc(C(=O)CCC(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 839045048 XDFFKTXWUWQAFD-GDBMZVCRSA-N 299.370 3.584 30 20 CHED CC1(C)CN(C(=O)c2ccsc2C#N)CC(C)(C)C1 907427378 XEINMUWBMBZYIX-UHFFFAOYSA-N 276.405 3.518 30 20 CHED Cc1ccccc1[C@H]([C@@H](C)Nc1ccc(C#N)cc1)N(C)C 584264805 ULAJGQBTDLWBET-BEFAXECRSA-N 293.414 3.970 30 20 CHED CC[C@@H](NCCc1cccnc1C)c1cccc(C#N)c1 903417955 HSOVSCSYJYDCKY-GOSISDBHSA-N 279.387 3.545 30 20 CHED Cc1cccc(C=NNc2cc(F)c(F)cc2F)c1 734301664 KIYBPKICIIURTK-UHFFFAOYSA-N 264.250 3.858 30 20 CHED Cc1cccc(NC(=O)C#CC(C)(C)C)c1Br 837538586 NMWAWMBZVWDFBX-UHFFFAOYSA-N 294.192 3.746 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCC#N)c1)C2 730949169 PVHNKEYBPWUYDE-MHWRWJLKSA-N 289.334 3.720 30 20 CHED Fc1ccc(C=NNc2ccc3ccccc3n2)cc1 916286763 UFQDAMZJAXSMFL-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CCCCCCCSc1nc2ccccc2c(=O)n1C 915790715 LRNQIGODPBKDPF-UHFFFAOYSA-N 290.432 3.996 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(CC)[C@H](C)C#N)cc1 598358414 FITUQHVXJIOLHY-UONOGXRCSA-N 272.392 3.503 30 20 CHED CCCc1ccc(C(C)=NNc2oc(C)nc2C#N)cc1 917555355 OMYUQIKKBSAQKM-UHFFFAOYSA-N 282.347 3.643 30 20 CHED N#C[C@@H](C(=O)C1CCC1)c1nc2cc(Cl)ccc2s1 917045096 XHOMIGMCIJDFNC-JTQLQIEISA-N 290.775 3.926 30 20 CHED C=CCCSCCNC(=O)Nc1ccccc1Cl 596456255 LEQTWGJNCVGTFN-UHFFFAOYSA-N 284.812 3.771 30 20 CHED Cc1nc(C#N)c(NN=C2CCC[C@H]2c2ccc(F)cc2)o1 741162370 CZIOFQUJTBMOTA-ZDUSSCGKSA-N 298.321 3.729 30 20 CHED COc1cc(C=NNc2ccccc2)ccc1OC(C)C 916245904 JZIAMYJSHVEUPW-UHFFFAOYSA-N 284.359 3.928 30 20 CHED Cc1ccc(C)c(NN=Cc2cccc3c2OCCCO3)c1 917540431 ONEYOFNUKRXBRK-UHFFFAOYSA-N 296.370 3.911 30 20 CHED Cc1cccc2c(N3CCC[C@@H](CC#N)C3)c(C#N)cnc12 596330945 PRXKWYMNRNOOTA-AWEZNQCLSA-N 290.370 3.545 30 20 CHED FC(F)(F)c1ccccc1NN=Cc1ccco1 916259459 IOUVZQDEQAIPLJ-UHFFFAOYSA-N 254.211 3.744 30 20 CHED C=C[C@@H](CC(=O)OCc1conc1CC)c1ccccc1 848735168 VEGAAEXTRHCYGC-ZDUSSCGKSA-N 285.343 3.640 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 595460629 FMLHLAKIVHXBSZ-GDBMZVCRSA-N 297.402 3.617 30 20 CHED C[C@H](NCc1ccnc(C#N)c1)c1cccc(C2CC2)c1 590745411 FMLMBGSOAJQPQS-ZDUSSCGKSA-N 277.371 3.681 30 20 CHED CC(C)(CCC#N)CN1CCC[C@H]([C@@H]2CCCCO2)C1 597225639 RSUWKYSISXLIRD-HOTGVXAUSA-N 278.440 3.597 30 20 CHED Cc1nn(C(C)C)cc1C(=O)OCCCCC(C)(C)C#N 848812450 VPJPYVJVXXJLDP-UHFFFAOYSA-N 291.395 3.649 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1ccc2ccccc2n1)C1CC1 916849934 XBLYXGZNEXWTBS-WQTVUKCASA-N 276.339 3.767 30 20 CHED CCCCCC[C@@H](C)NN=C(C)c1ccc(N)cc1 743451003 WRUOZWFHKMGXHJ-CYBMUJFWSA-N 261.413 3.941 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1ccc(OC(C)C)cc1 915971015 YGRKVCHTYFLZAY-UHFFFAOYSA-N 298.390 3.717 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cc(C)ccc1OC 678834457 BREHBMPYSXUHTR-AWEZNQCLSA-N 290.407 3.548 30 20 CHED N#CC1(CSCc2ccc(F)cc2[N+](=O)[O-])CCC1 596367391 ALJXUCQBGPWNEH-UHFFFAOYSA-N 280.324 3.661 30 20 CHED N#Cc1cccc(C(=O)/C=C\C2=Cc3ccccc3OC2)c1 749357872 KZOAYSJBUIUNNU-HJWRWDBZSA-N 287.318 3.773 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCC1CCCCCC1 594235836 IBQANIMRZRAUOO-CQSZACIVSA-N 264.413 3.745 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H]1c1cccc(C)c1C 593483325 XCGZDJMEUFYYLL-GDBMZVCRSA-N 270.376 3.517 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCC[C@H]1F 591252899 FLQAJGHBNPJZRU-IXDOHACOSA-N 272.367 3.806 30 20 CHED CCN(C(=O)Cc1occc1C)[C@@H](C)c1ccc(C#N)cc1 596906293 TUZFVMFDYNAZJS-AWEZNQCLSA-N 296.370 3.612 30 20 CHED CC(C)c1cccc(C(=O)N2CCc3ccc(C#N)cc32)c1 597445751 XSGFRBVBFDRQPJ-UHFFFAOYSA-N 290.366 3.885 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(C#N)c(F)c1 596909203 TYJJQGOHZYGVHS-UHFFFAOYSA-N 275.327 3.564 30 20 CHED C(=NOCc1cccnc1)c1csc2ccccc12 746587179 HYMJPTZEROMOEY-UHFFFAOYSA-N 268.341 3.847 30 20 CHED C=CCc1ccccc1OC(=O)/C=C/c1ccccc1C#N 916858809 DYDIGZJDMWXZFK-OUKQBFOZSA-N 289.334 3.906 30 20 CHED Cc1cc(C(=O)/C=C/c2c(C3CC3)cnn2C)c(C)s1 849243425 STBLKANKGFFWIJ-VOTSOKGWSA-N 286.400 3.872 30 20 CHED CC(C)(C#N)CCCCN[C@@H](CCO)c1ccccc1F 592159931 HSSVCQWOFMJJJN-INIZCTEOSA-N 292.398 3.559 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1c(C)nc([C@H](C)CC)nc1C 847681625 PWLQOHUASHZBOF-BXUZGUMPSA-N 290.407 3.657 30 20 CHED CC(C)[C@@H](NC(=O)C#Cc1ccccc1)c1ccccc1 747202907 DPXHSKJVTZRLNM-LJQANCHMSA-N 277.367 3.552 30 20 CHED CCc1ccccc1NN=Cc1cccc(COC)c1 743436941 GBCGZZIBZDKQCD-UHFFFAOYSA-N 268.360 3.841 30 20 CHED C=C[C@H](C)ONC(=O)C[C@@H](CC)c1ccc(C)cc1 846545707 PKPQNYJBVPVELU-UONOGXRCSA-N 261.365 3.501 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1ccnn1CC1CC1)C2=O 849249646 KEQSNQOXQCZESI-YBEGLDIGSA-N 292.382 3.732 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc(OCCF)c1 926099136 QQYQFYKROZXHNF-GFCCVEGCSA-N 264.344 3.775 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 855545021 IGCONLKEIXQWAN-CQSZACIVSA-N 295.329 3.596 30 20 CHED C=C[C@H](OC(=O)CCOCC(C)C)c1ccccc1 851452232 ICVYNJFYBZWYCV-HNNXBMFYSA-N 262.349 3.520 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1cnc2ccccc2n1 751133021 KYTPXNHXQLUILA-GFCCVEGCSA-N 288.354 3.638 30 20 CHED COc1cc(C)cc2c1OC/C(=C\c1ccccc1F)C2=O 920389202 JFJJRNAFYVASEC-UKTHLTGXSA-N 298.313 3.801 30 20 CHED CCCCCC1=CCCC1=NNC1=N[C@H]2CCCC[C@@H]2N1 753932899 BFSDIIOIJORVNO-HOTGVXAUSA-N 288.439 3.503 30 20 CHED CCCCC=Nn1c(S)nnc1-c1ccccc1C 755562490 JEBBHLYANMDIPC-UHFFFAOYSA-N 274.393 3.566 30 20 CHED Fc1ccc(C=NOCC2CCC2)c2ncccc12 853439866 UEXXAGPUPOMXTJ-UHFFFAOYSA-N 258.296 3.525 30 20 CHED C=C[C@H](CC(=O)OCc1ccccc1C#N)c1ccccc1 758911648 KIVIMBPOWJTMPK-OAHLLOKOSA-N 291.350 3.961 30 20 CHED C=CCC1(C(=O)N2CCCO[C@@H](c3ccccc3)C2)CCC1 682892484 QBCKTOPBYRTOEP-QGZVFWFLSA-N 299.414 3.723 30 20 CHED CC(C)CC1(C(=O)OCc2cc(C#N)ccc2F)CCC1 757145340 ZXLUCYQCEBVJMQ-UHFFFAOYSA-N 289.350 3.957 30 20 CHED C=CCCO[C@H](C)c1nc([C@@H]2CCc3ccccc3C2)no1 680768457 ATGKOLHBWOHOGV-CZUORRHYSA-N 298.386 3.996 30 20 CHED COc1cccc(NN=Cc2cnc(C(C)C)s2)c1 758374131 OQKUJPZJKAXEQQ-UHFFFAOYSA-N 275.377 3.721 30 20 CHED CS[C@H]1CCC[C@H](NCC2CCC(C#N)CC2)C1 922095369 BGMZDEYWKZTRDE-WUCCLRPBSA-N 266.454 3.580 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 920385784 HFLAPDNSELCUCG-LBPRGKRZSA-N 283.331 3.670 30 20 CHED Cc1cc(F)ccc1OC(=O)c1ccc(Cl)c(C#N)c1 754383610 IRGNPNMVRFKOBW-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C[C@H]1CN(C(=O)C2(C#N)CCCCC2)Cc2ccccc21 920016357 CLPGBBXTQNXNGG-AWEZNQCLSA-N 282.387 3.606 30 20 CHED COc1cccc2[nH]cc(CCN[C@@H](C)CC(C)(C)C#N)c12 926112486 WICVURVMGPOTNF-ZDUSSCGKSA-N 299.418 3.637 30 20 CHED C#CCCCNC(=O)N1CCC(c2ccc(CC)cc2)CC1 858257476 MJXNLLPCQBKZGE-UHFFFAOYSA-N 298.430 3.551 30 20 CHED Clc1cc(NN=Cc2cnc(C3CCC3)s2)ccn1 853395464 YFBGGTSIFOWTPX-UHFFFAOYSA-N 292.795 3.905 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(O)cc1 750938841 OZTGPHRBCRBMQS-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C=C[C@H](C)ON=CCc1cccc(OC(F)(F)F)c1 853368795 CDTMFMKZBUQRQE-JTQLQIEISA-N 273.254 3.705 30 20 CHED FC(F)(F)c1cnc(NN=CC2CC2)c(Cl)c1 755491308 LQGWHISPZBWNOH-UHFFFAOYSA-N 263.650 3.562 30 20 CHED CC1(C)CCC/C(=C\c2cccc(OCC#N)c2)C1=O 757535808 WEZLJNGPSQDFRB-SDNWHVSQSA-N 269.344 3.752 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(C)cc1O 750938206 DMLTWIMYNMPUNB-UHFFFAOYSA-N 272.323 3.984 30 20 CHED COc1cc(C)c(/C=C\C(=O)c2cccs2)cc1OC 751512000 FPQQATUCGJXHQR-SREVYHEPSA-N 288.368 3.970 30 20 CHED C=C(CC)COC(=O)c1c(F)ccc(F)c1Cl 856970508 GZGMSJQQSWUGRQ-UHFFFAOYSA-N 260.667 3.741 30 20 CHED Cc1cc(C=NNc2c(F)cccc2F)ccc1C#N 766451874 ZNVYZVBAZOQJST-UHFFFAOYSA-N 271.270 3.591 30 20 CHED C#CCOc1ccccc1-c1noc(/C(C)=C/CC)n1 761996018 PUZSSRZDPSLVKI-XYOKQWHBSA-N 268.316 3.562 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1 934849018 JLWZHOWDGMEWJD-AWEZNQCLSA-N 297.402 3.637 30 20 CHED C#CCCCN[C@@H]1CCSc2c(Cl)cccc21 766233847 SFZXCFFXWRUETQ-CYBMUJFWSA-N 265.809 3.880 30 20 CHED COc1ccc([C@H](C)OC(=O)c2ccc(CC#N)cc2)cc1 764416869 ABUBGSZMCGDEDW-ZDUSSCGKSA-N 295.338 3.679 30 20 CHED CCCCCC[C@@H]1CCC[C@@H]1NC1CCN(CC#N)CC1 765856916 SEJUESVTVXAPPM-AEFFLSMTSA-N 291.483 3.703 30 20 CHED C=CCN(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)C(C)C 760049898 BEROASKXAJGTDX-LLVKDONJSA-N 294.361 3.960 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1c1ccc(COC)o1 935432130 VDPOSRVRZDYJRN-DZGCQCFKSA-N 291.391 3.692 30 20 CHED CCOc1ccc(C=Nc2ccc3c(c2)COC3)c(O)c1 768267578 BFEUOTOEQWJCCM-UHFFFAOYSA-N 283.327 3.572 30 20 CHED Cc1ccc(C)c(C=NNc2ccc(F)c([N+](=O)[O-])c2)c1 769822325 JCKWVMNFSCLGDI-UHFFFAOYSA-N 287.294 3.797 30 20 CHED C#Cc1ccc(CNc2ccc3oc(CO)cc3c2)cc1 864042189 ZNLSZRVNCOTNCL-UHFFFAOYSA-N 277.323 3.519 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccc(C(=O)O)cc2)C1 768352561 OQIAPVPFVXIKJI-RYUDHWBXSA-N 260.337 3.609 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccc(F)c(F)c1)C(C)(C)C 1118846671 YHYHKOKVFYYGLH-NSHDSACASA-N 281.346 3.881 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ccc(Br)c(F)c1 769827762 JLVHAINKJFLCJX-JGVFFNPUSA-N 271.133 3.642 30 20 CHED C[C@@H](C(=O)OCCC(C)(C)C#N)c1ccc(F)cc1F 1116478659 PIDRVKMSUQIMID-SNVBAGLBSA-N 281.302 3.551 30 20 CHED C#CCOc1ccc(C(=O)N(C)[C@@H](C)C2CCCCC2)cc1 772908403 IMOKFHNGTXPAEE-HNNXBMFYSA-N 299.414 3.739 30 20 CHED CC(Cc1cccc(F)c1)=NNc1ccc2[nH]ncc2c1 779817968 VSHMGQFJFTVIPJ-UHFFFAOYSA-N 282.322 3.733 30 20 CHED CCC[C@@H](CC)C(=O)Nc1ncccc1OCCCC#N 874298932 LPXFSKKXQOVAHG-CYBMUJFWSA-N 289.379 3.529 30 20 CHED Cc1ccc(NC(=O)C#CC(C)(C)C)cc1N1CCCC1 874943421 YTKHQDNDSHFXIU-UHFFFAOYSA-N 284.403 3.583 30 20 CHED C[C@@H]1CCC[C@H](COC(=O)c2ccccc2OCC#N)C1 770962855 WJKUVHAFOINRBF-KGLIPLIRSA-N 287.359 3.572 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1cnnc(O)c1Cl 779765978 BYGATUGSDKWMSX-VIFPVBQESA-N 284.791 3.696 30 20 CHED CC(CCc1cncc2ccccc12)=NOC(C)C 872380516 KDNJSFZDDUFYFW-UHFFFAOYSA-N 256.349 3.968 30 20 CHED CCCC[C@@H](NC(=O)Cc1ccccc1CC#N)C1CCC1 777408614 AYYCJCIBSPSDIE-GOSISDBHSA-N 298.430 3.770 30 20 CHED C[C@@H](SCc1ccccc1)C(=O)OCCC(C)(C)C#N 776377194 UPVCTDAKRQXAJJ-CYBMUJFWSA-N 291.416 3.791 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(N(C)C)c(C)c1 775983133 BEMXFORKTFJEKQ-CQSZACIVSA-N 289.423 3.927 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)[C@H]1CCCOC1 779755099 WRROPUZIWDXTDW-NSHDSACASA-N 286.297 3.920 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)c(C#N)c1)C2 770573562 ZSEGJUUZDOANOG-MLPAPPSSSA-N 293.297 3.528 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(C)cc1Cl 773401299 LUALBZVJLYEMCO-GFCCVEGCSA-N 282.767 3.673 30 20 CHED CC(C(=O)O[C@@H](C#N)C1CCCCC1)=C1CCCC1 776393085 YSGVZCUQBSAECI-HNNXBMFYSA-N 261.365 3.893 30 20 CHED CCC(CSc1ccccc1[N+](=O)[O-])=NNCC(C)C 771568029 VSFBWBSJRRRGGP-UHFFFAOYSA-N 295.408 3.699 30 20 CHED C#CCCCCC(=O)N1CC=C(c2ccc(C)cc2)CC1 773206147 VGADAQMSSJVHEG-UHFFFAOYSA-N 281.399 3.804 30 20 CHED CCCCCCCCNC(=O)C(C)(Cl)Cl 777058226 CDRHPMLNUQXNAS-UHFFFAOYSA-N 254.201 3.657 30 20 CHED C#CC(=O)Nc1nc(-c2cccc3ccccc23)c(C)s1 779349902 YXOVNKMTMFIJOU-UHFFFAOYSA-N 292.363 3.843 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1129070741 BVPZSQQCRFBPRU-YWPYICTPSA-N 298.386 3.772 30 20 CHED Cc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)c2ncccc12 1122835977 RMIBHKBMWKTMDX-GFCCVEGCSA-N 282.343 3.638 30 20 CHED C#CCCCNC(C)(C)c1ccc(OC(F)(F)F)cc1 789514252 SCSBPPUEJMENJB-UHFFFAOYSA-N 285.309 3.823 30 20 CHED Cc1ccccc1C1CC(=NN[C@H](CO)c2ccccc2)C1 788462105 UOGMRXYKTANVQF-LRTDYKAYSA-N 294.398 3.552 30 20 CHED CCC[C@H]1CCCC1=NNc1cccc(C(=O)O)c1 788406922 AUYLHZHRVJUBDW-NSHDSACASA-N 260.337 3.753 30 20 CHED C#CCC1(C(=O)Nc2cc(F)cc(F)c2)CCCCC1 788429531 ZKQYNWSWAXGVFA-UHFFFAOYSA-N 277.314 3.877 30 20 CHED Cc1ccc(N[C@H]2CCO[C@H](c3ccccc3)C2)c(C#N)n1 882193095 YRFUMEGDUZCSTI-YJBOKZPZSA-N 293.370 3.594 30 20 CHED C[C@@H](C#N)CNC(=O)N[C@H](c1ccccc1)C1CCCCC1 781929996 USHFBYUPNSEPBJ-WMLDXEAASA-N 299.418 3.767 30 20 CHED N#Cc1ccc(OCc2ccc3c(c2)COC3)cc1Cl 783985616 DHMAMSIDYAIBJV-UHFFFAOYSA-N 285.730 3.821 30 20 CHED Cc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(N)cc1F 784660039 SPWRLZZCCHWIHA-LLVKDONJSA-N 298.317 3.506 30 20 CHED C#CC[C@@H](N[C@@H](C)c1ccnc(OC)c1)c1ccccc1 788685704 KBKMSDLAYOYQEI-WMLDXEAASA-N 280.371 3.505 30 20 CHED CC(C)CN(CCC#N)C[C@@H]1CCc2ccccc21 780290213 RQSDVKMPLXNBRR-INIZCTEOSA-N 256.393 3.588 30 20 CHED C=C(C)CCC(=O)N1CCO[C@H](c2ccccc2Cl)C1 1120690286 NGDAPJVTZOQSKK-HNNXBMFYSA-N 293.794 3.596 30 20 CHED Fc1ccc(/C=C/C=NNc2ncncc2Cl)c(F)c1 780281483 MXNCHHFKCUCNDS-ITUCHRIJSA-N 294.692 3.519 30 20 CHED CC(=NNc1ncccn1)c1cc2ccccc2s1 780208661 AUPCEQQOVWOFSB-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C=CCCCCCOC(=O)c1c(C)nn(CC)c1Cl 783882036 WSUOCEWEUBEGLZ-UHFFFAOYSA-N 284.787 3.768 30 20 CHED COc1ccc2cc(C#CC(F)(F)F)ccc2c1 95831339 HILXYNZCWCCWTR-UHFFFAOYSA-N 250.219 3.762 30 20 CHED Cc1nnc(S)n1N=CC1CCC(C(C)(C)C)CC1 783799545 NWLAJRXCPAHHCJ-UHFFFAOYSA-N 280.441 3.562 30 20 CHED C=C1CCC(c2nc(-c3nnc(SC)s3)no2)CC1 896246622 GQUJQINEEDWKFV-UHFFFAOYSA-N 294.405 3.524 30 20 CHED CC(C)=CCC[C@H](C)CC=NN[C@H]1CCCOC1 780263021 QBKQJLNXYDMGFZ-GJZGRUSLSA-N 252.402 3.513 30 20 CHED COc1cc(NN=C(C)C[C@@H]2CCOC2)ccc1Cl 788467289 IOKCKGGVOPTVNK-NSHDSACASA-N 282.771 3.563 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cc(C)on1 790297794 CVPBMSQNSQKJAL-UHFFFAOYSA-N 267.691 3.612 30 20 CHED CC(=NNCCc1ccccn1)c1cc2ccc(C)cc2o1 789103405 VURKAOOWBLFOLM-UHFFFAOYSA-N 293.370 3.693 30 20 CHED CC(C)C1CCC(C=NNc2cnnc(O)c2Cl)CC1 794888301 HYVASLMWCJQTAS-UHFFFAOYSA-N 296.802 3.696 30 20 CHED C#CC[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(C)(C)C 781555179 VTGFYLUMULPKOB-MRXNPFEDSA-N 283.371 3.692 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)CCCC(F)(F)F)c1 893480674 PAKCUYWNCFKMCB-SNVBAGLBSA-N 271.286 3.795 30 20 CHED C#CCCCCC(=O)NCc1cc2ccccc2s1 271382085 RJXZWKATQHXSKX-UHFFFAOYSA-N 271.385 3.711 30 20 CHED C=C1CC(c2noc(C(C)(C)Oc3ccc(F)cc3)n2)C1 896877945 RZJOJQBTXIPDFQ-UHFFFAOYSA-N 288.322 3.956 30 20 CHED CCC(=NNc1ncncc1F)c1cccc(Cl)c1F 793211790 OZWAXGPLVWKRRX-UHFFFAOYSA-N 296.708 3.634 30 20 CHED C[C@H](NN=Cc1ccc(O)c(Br)c1)C(C)(C)C 793117737 XZOPAYJMEWLWEU-VIFPVBQESA-N 299.212 3.513 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1ccc2c(c1)CCCC2 1205236970 FGXCPUDUMURUFL-KDOFPFPSSA-N 270.420 3.778 30 20 CHED CC/C=C(/C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572351 YGYXRAANZFJINJ-ZJRUKIMVSA-N 276.405 3.973 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccccc1-c1ccccc1 1130444210 WDQORMOXHOPMTQ-HNNXBMFYSA-N 278.355 3.728 30 20 CHED Clc1cccc(NN=Cc2ccccc2Cl)n1 793173519 AUHCGPGLJCPGAQ-UHFFFAOYSA-N 266.131 3.834 30 20 CHED N#CC[C@H](CC(=O)Nc1cccc(Cl)n1)c1ccccc1 796745934 SYPQRLCUGMYLTE-CYBMUJFWSA-N 299.761 3.761 30 20 CHED CCCCCCCN1CC[C@@H](N2CCCCC2)C1 740877538 HICWCDAMAYHSFC-MRXNPFEDSA-N 252.446 3.517 30 20 CHED Fc1cccc(NN=Cc2ccc(OC(F)(F)F)cc2)n1 795009168 XKZPWRMJOZIPRH-UHFFFAOYSA-N 299.227 3.565 30 20 CHED C[C@@H](NN=Cc1ccc(F)cc1Cl)C(C)(C)C 793115075 PKJXPFOQOSGVKC-SECBINFHSA-N 256.752 3.837 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC[C@H]1c1ccccn1 794854579 IHZOQDJGPZWNCR-LBPRGKRZSA-N 296.330 3.725 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)c1ccc(Cl)cc1 797825951 INMSVDIGRRHOJE-UHFFFAOYSA-N 288.734 3.780 30 20 CHED C[C@H]1SCC[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 592001622 FROLNCUNWWHTJO-ZYHUDNBSSA-N 275.421 3.557 30 20 CHED C#CCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CCCCC1 790220211 NMWWMGXXSSUHES-DLBZAZTESA-N 299.389 3.772 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)CSc1ccc(C#N)cc1 799485481 UBQQVXJFFRBWQJ-AWEZNQCLSA-N 289.400 3.772 30 20 CHED COc1cc(NC(=O)C2(C#N)CCCCC2)ccc1Cl 194897282 DBNGPHRCRBULEE-UHFFFAOYSA-N 292.766 3.761 30 20 CHED CC[C@H](C#N)C(=O)NC1CCC2(CCCCC2)CC1 593642530 MOWMWUBCWWESCM-CYBMUJFWSA-N 262.397 3.545 30 20 CHED Cc1ccc(OC(F)F)c(C=NNc2ncccc2C)c1 790190726 LFHSHBJJXBDEIK-UHFFFAOYSA-N 291.301 3.746 30 20 CHED C#CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 792272453 PTXTXXOVSCFXHV-GOSISDBHSA-N 278.330 3.552 30 20 CHED Fc1ccc(F)c(CNN=C2CCC(C(F)F)CC2)c1 799477369 QQQACVWGNUPHGZ-UHFFFAOYSA-N 288.288 3.866 30 20 CHED C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1C)C1CCCCC1 744810686 VTXMUQOENIDUFW-GOEBONIOSA-N 276.424 3.543 30 20 CHED Brc1ccc(NN=C2CCC23CCC3)cn1 799880200 GXAWUMNKZSJOBZ-UHFFFAOYSA-N 280.169 3.576 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 85069468 IBKUUMUXXGIZDK-UONOGXRCSA-N 262.397 3.545 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)C(C)(C)C#N)c21 1143401756 YGCULIBOUBRJSI-NSHDSACASA-N 270.376 3.960 30 20 CHED C=C(C)CCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 775623367 JBQSACFEALLAQZ-SJORKVTESA-N 259.393 3.541 30 20 CHED N#CCC1(CN2CCC3(CCc4ccccc4C3)CC2)CC1 1307901761 QCOWGLJOBKXPAW-UHFFFAOYSA-N 294.442 3.951 30 20 CHED Cc1ccc(CNc2ccc(F)cc2C#N)c(C)c1 97635457 DSHYWSHKKFLDJZ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=C(Br)CSc1ccc2c(c1)CCO2 1166328569 SGKQYBWXQYKEND-UHFFFAOYSA-N 271.179 3.622 30 20 CHED N#Cc1cncc(NCC2(c3cccc(Cl)c3)CCC2)n1 1163939036 ZOGFZLQBHSUWJM-UHFFFAOYSA-N 298.777 3.535 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1ccc(Cl)c(F)c1 1324644801 PIYPEOALTKIVIR-VIFPVBQESA-N 275.714 3.919 30 20 CHED Cc1cc(F)ccc1OC(=O)c1cccc(C#N)c1C 1321395719 IXBIUYPWHCHSAB-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C[C@@H]1CCC[C@@H]1Cc1nnc(-c2cccc(C#N)c2)o1 1330098793 HMXFLLFPKACTNZ-DGCLKSJQSA-N 267.332 3.587 30 20 CHED C[C@@H]1C[C@H](CCN=c2cc[nH]cc2C#N)CC(C)(C)C1 1186315812 KEDSJFBDDBGAOF-KGLIPLIRSA-N 271.408 3.640 30 20 CHED Cc1ccccc1C=NNc1ccc(C(C)(C)C)nn1 1339230631 NMAZXOMGTNUVBA-UHFFFAOYSA-N 268.364 3.529 30 20 CHED C/C(=C\C(C)(C)C)C(=O)O[C@H](CC#N)c1ccco1 1347949086 QEFTVWWTVCBZNI-OCHBPSSRSA-N 261.321 3.770 30 20 CHED C[C@H]1C/C(=C\c2cccnc2N(C)C)C(=O)c2ccccc21 1346403645 WSEJSRNKFVXQSF-UESPBHMZSA-N 292.382 3.921 30 20 CHED C[C@@H](C(=O)N(c1ccccc1C#N)C1CCC1)c1ccco1 1350242176 QUBPTXHZQIYUAC-CYBMUJFWSA-N 294.354 3.840 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 1351349364 TTZLJGWDBAREJL-ZWNOBZJWSA-N 276.767 3.976 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCC[C@@H]1CC(C)C 1355860631 ZESJBKYURDFBLC-MRXNPFEDSA-N 284.403 3.908 30 20 CHED CN(C(=O)c1cc(C#N)cs1)c1nsc2ccccc12 1437553360 RAFSWZHWSTZWBY-UHFFFAOYSA-N 299.380 3.506 30 20 CHED CCCCCCCC(=O)NCc1nc2ccccc2[nH]1 106167195 NLEVCBQNEDMMGM-UHFFFAOYSA-N 273.380 3.540 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccoc1Br 1514859048 NYADURRAIDQYDE-JTQLQIEISA-N 298.180 3.613 30 20 CHED N#Cc1cc(C(=O)O[C@H]2CCc3ccc(F)cc32)cs1 1524315373 VFDYIVZTQIJKHQ-AWEZNQCLSA-N 287.315 3.603 30 20 CHED N#Cc1ccc(S[C@@H](C(=O)O)c2ccsc2)cc1 1608213510 OONWQWAAVTVEGT-GFCCVEGCSA-N 275.354 3.538 30 20 CHED C=C(C)c1cccc(NC(=O)c2ccc(C(=O)O)c(F)c2)c1 1602772006 GDMFLCDARHHIJA-UHFFFAOYSA-N 299.301 3.809 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CCC(C)(C)C[C@@H]2C)n1 1472717389 SXRCNEIZWVRHHN-AAEUAGOBSA-N 272.396 3.537 30 20 CHED C[C@@H]1CC[C@@H](CSc2ccc(Cl)cc2C#N)O1 1613583946 BSKOERJROJXJCM-SKDRFNHKSA-N 267.781 3.871 30 20 CHED CO[C@@H](CSc1ccc(C#N)cc1)Cc1ccccc1 1472976938 ATOLXTBEGCHDMV-MRXNPFEDSA-N 283.396 3.908 30 20 CHED CC(C)C[C@@H]1CCCCCN1Cc1cc(C#N)ccn1 1473176682 NWAJUXUYRZXSTG-KRWDZBQOSA-N 271.408 3.744 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CC[C@H](C)[C@H]1C 1705753418 ZZRIIGQVRFJMET-CMPLNLGQSA-N 294.830 3.533 30 20 CHED C=CC[C@@H](C)NC(=O)CCCc1c[nH]c2ccccc12 116851061 LHQSTZDGMSDGIU-CYBMUJFWSA-N 270.376 3.571 30 20 CHED Cc1cc(NCC2(c3cccc(F)c3)CCC2)ncc1C#N 1559275473 HNIQEFSWQKJNKV-UHFFFAOYSA-N 295.361 3.935 30 20 CHED C[C@H]1CCCC[C@@H]1CNc1nc(C#N)c(Cl)s1 1642179668 XVMQZOZHNGVXJU-DTWKUNHWSA-N 269.801 3.906 30 20 CHED C=CC(C)(C)NC(=O)Nc1ccc(C(=O)O)c2ccccc12 1573346632 FJHSEZVVLSSYLW-UHFFFAOYSA-N 298.342 3.624 30 20 CHED C=C(Cl)CN1CCC[C@]1(C)Cc1ccc(F)cc1 1653942819 UHSNVGBTEVSKGK-OAHLLOKOSA-N 267.775 3.975 30 20 CHED N#CCc1cccc(NC(=O)CCSc2ccccc2)c1 1587603183 QZLBQRXKIZQROK-UHFFFAOYSA-N 296.395 3.874 30 20 CHED C[C@H](NCc1cc(O)cc(Cl)c1)c1cccc(C#N)c1 1663268914 ITSJPEQCQFZFQR-NSHDSACASA-N 286.762 3.768 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H]1CCCC(C)(C)C1 1596572747 ZYMQXDHULNMRKL-LBPRGKRZSA-N 251.370 3.828 30 20 CHED C=CCCCCCN1CC[C@@H]2C[C@H](CC(=O)O)CC[C@H]2C1 1776173383 KIUGRKVIXYDSGJ-ZACQAIPSSA-N 293.451 3.946 30 20 CHED C[C@@H]1C/C(=C/c2cncc(C(=O)O)c2)C(=O)c2sccc21 1776589490 GHXHUBHWJDRLFZ-QQCYMQAYSA-N 299.351 3.615 30 20 CHED C=CCc1cccc(CN(CC(=O)O)Cc2ccccc2)c1 1776189366 SAQWXSNAXPVYBS-UHFFFAOYSA-N 295.382 3.502 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 1776157364 FSSRSYPIJGWJJF-IFXJQAMLSA-N 299.414 3.589 30 20 CHED COc1cc2c(cc1CNc1ccc(C#N)cc1)O[C@@H](C)C2 161865637 XBSSCTCQKSQBBR-LBPRGKRZSA-N 294.354 3.502 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc2ccccc2c1 152592526 SDBUQQQDHNVMLZ-MDZDMXLPSA-N 276.339 3.952 30 20 CHED C=CCCCN(C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 152628962 KBIOEBTVBPXZRB-ZDUSSCGKSA-N 279.811 3.943 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2ccc(OC)cc2)CCCCC1 155859043 SRSIAWKHBBFYHP-CQSZACIVSA-N 287.403 3.588 30 20 CHED COc1ccc(C#N)cc1COc1ccc(F)cc1Cl 129268084 VYJOKRDTQWCZRG-UHFFFAOYSA-N 291.709 3.938 30 20 CHED Cc1ccc(C(C)(C)C)c(OCCO[C@@H](C)C#N)c1 311689517 FFPUTQXVAFZJSL-ZDUSSCGKSA-N 261.365 3.600 30 20 CHED CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NCC1(CC#N)CC1 430738752 LIYQLYXEVQMQRW-SJORKVTESA-N 298.430 3.654 30 20 CHED C#CCN(C(=O)CCC1CCCC1)C1CCCCC1 688795110 QCUDFHYCRXOXQO-UHFFFAOYSA-N 261.409 3.751 30 20 CHED C=CC(C)(C)CNCc1cc(Cl)c(OC)c(OC)c1 384813328 AMGWQDZCEXLPIJ-UHFFFAOYSA-N 283.799 3.659 30 20 CHED C=CCN(Cc1cccs1)C(=O)OC(C)(C)C 731148791 IVTLXNKXPIXDQD-UHFFFAOYSA-N 253.367 3.671 30 20 CHED CC(C)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 7924312 GMYWPYVBOHDDBY-KRWDZBQOSA-N 278.355 3.685 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2csc3ccccc23)C1 179862496 YXKLXCUQNCBXBC-WDEREUQCSA-N 271.341 3.750 30 20 CHED C=CCNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 57381270 ZLYWFTYZLWNJIG-JTQLQIEISA-N 271.282 3.501 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N(C)C1(C#N)CCC1 179978392 YQEMGQVWHBIHHI-OAHLLOKOSA-N 284.403 3.550 30 20 CHED C#Cc1cccc(NCc2coc(-c3ccccc3)n2)c1 174939139 FOAROKQKKLOBPN-UHFFFAOYSA-N 274.323 3.935 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)c1sccc1C#N 52030078 MAWXZHFHSDGNEV-JTQLQIEISA-N 288.347 3.592 30 20 CHED C#CCCCCc1nc(-c2ccc(C)c(F)c2)no1 179624171 HNCVVPUETCNHBW-UHFFFAOYSA-N 258.296 3.530 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1ccccc1C#N 179095198 HCKRUBZJZXKFAI-JKSUJKDBSA-N 274.433 3.712 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)CC1CCCC1 65839281 KGPAPXCNFLKKHV-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1cc(Cl)ccc1Cl 63094851 RGYFZYGSNPRIHJ-MRVPVSSYSA-N 286.162 3.759 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1ccc(O)c(Cl)c1 119257323 FBSKYPGTWVORLC-GQCTYLIASA-N 274.703 3.647 30 20 CHED C=CC1CCN(Cc2nc3ccccc3n2C(F)F)CC1 173373894 FWLHBXGGKZDKLL-UHFFFAOYSA-N 291.345 3.829 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Br)cc1C 466534239 NZBOWUURZGMMBE-GFCCVEGCSA-N 296.208 3.842 30 20 CHED Cc1cccc([C@H]2CCCCN2c2ccc(C#N)nn2)c1C 301957497 GDLUQFBZXCRCAH-QGZVFWFLSA-N 292.386 3.697 30 20 CHED CN(c1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 29147931 PPNIGJLYQULXRU-HNNXBMFYSA-N 293.326 3.590 30 20 CHED CC(C)[C@H](O)C(C)(C)CNc1c(Cl)cccc1C#N 301827216 PLQMCMFUCXLPDY-AWEZNQCLSA-N 280.799 3.667 30 20 CHED C=CCCCC(=O)NCc1ccccc1CN(CC)CC 175134980 ZPRVGHLSWMJAKO-UHFFFAOYSA-N 288.435 3.501 30 20 CHED CCN(CCC#N)Cc1cc(C)c(C)cc1OC(F)F 127671326 SUOOKJAWBGLFDN-UHFFFAOYSA-N 282.334 3.640 30 20 CHED N#Cc1cccc(CNC2(c3ccc(Cl)cc3)CC2)c1 69878643 IXOAODSJBPEMSX-UHFFFAOYSA-N 282.774 3.991 30 20 CHED N#Cc1ccc(N[C@H](c2ccccc2F)C2CCCC2)nn1 301976760 WGURNHTWNNLYRG-KRWDZBQOSA-N 296.349 3.831 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 211739148 LOQDIFHPRIJONZ-WTKPLQERSA-N 285.274 3.938 30 20 CHED Cc1ccc2oc(C(=O)N(CC#N)C3CCCC3)cc2c1 78003050 DSZXVUQOACIIQQ-UHFFFAOYSA-N 282.343 3.650 30 20 CHED CC[C@@H](c1ccc(F)cc1F)[S@](=O)CCCCC#N 78735060 ZICGGTRTOQGHII-LIRRHRJNSA-N 285.359 3.858 30 20 CHED N#Cc1ccncc1NCc1cc2ccccc2s1 354562149 ICWZWWMLAYZBCL-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CC(C)(C#N)CCCC[S@](=O)c1cccc(F)c1 232526598 FFAVEKZOOVHBQU-SFHVURJKSA-N 267.369 3.653 30 20 CHED C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1cccc(C#N)c1 75270165 CETSQLBPOUJYGO-GFCCVEGCSA-N 289.338 3.531 30 20 CHED C=CCCSCCC(=O)N1CCCc2ccccc21 507114955 DFEGOYQZMYQALV-UHFFFAOYSA-N 275.417 3.665 30 20 CHED CCCCCCCCCCNC(=O)C(C)(C)C#N 124342220 DNVKXOJBKFZGCY-UHFFFAOYSA-N 252.402 3.793 30 20 CHED CC1(C)CCC(C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 434013199 SCFIFIMCSNWQAI-AWEZNQCLSA-N 276.424 3.744 30 20 CHED Cc1cc(OCc2ccc(CC#N)cc2)ccc1C#N 434655311 SHWZCOFQXPVJEZ-UHFFFAOYSA-N 262.312 3.512 30 20 CHED N#Cc1c(Cl)cccc1NCCOc1ccc(F)cc1 502156262 PIIVLFGSRMNGLW-UHFFFAOYSA-N 290.725 3.842 30 20 CHED N#Cc1cc(F)ccc1CSCCOCC1CCC1 419400443 LATPCCYIFUIVNO-UHFFFAOYSA-N 279.380 3.747 30 20 CHED CCN(CC)Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1 188348279 OOHCKHGQZBNGDU-UHFFFAOYSA-N 299.418 3.551 30 20 CHED Cc1cccc(C(=O)N(CCC#N)CC(C)(C)C)c1F 154522016 CZYNAGVYZHGWHA-UHFFFAOYSA-N 276.355 3.536 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn(-c2ccccc2)c1C 188534729 WNMGSCGUVNQEAQ-QGZVFWFLSA-N 283.375 3.722 30 20 CHED COc1cccc(C(=O)/C=C\c2ccccc2C)c1 210420625 CLSPBKAWZDPJCP-KHPPLWFESA-N 252.313 3.900 30 20 CHED Cc1ccc(C[C@H](C)NCc2ccc(C#N)c(C)c2)s1 443980721 BFUOKWMUGMKFCT-ZDUSSCGKSA-N 284.428 3.957 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C2CCCC2)[nH]n1 188431167 ZEOOWBXAGYJWEZ-HNNXBMFYSA-N 261.369 3.608 30 20 CHED CCN(Cc1ccc(C#N)s1)[C@@H](C)c1cccc(O)c1 120105446 GSWVCIKFNUKULF-LBPRGKRZSA-N 286.400 3.908 30 20 CHED Cc1ccoc1C(=O)Nc1sc2c(c1C#N)CCCC2 70707887 WCHRAYJLQIRLDV-UHFFFAOYSA-N 286.356 3.652 30 20 CHED N#CC1(CN2CCC[C@@H]2c2nc3ccccc3s2)CC1 334308044 DRTAIXDXKVUXKA-CYBMUJFWSA-N 283.400 3.737 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)[C@H]1C 416121769 WLUMEONVNZVNCX-HZSPNIEDSA-N 284.403 3.604 30 20 CHED C[C@H](NCCCOc1ccc(F)cc1)c1ccc(C#N)cc1 180141240 VJNOMAPHDINZRW-AWEZNQCLSA-N 298.361 3.817 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]2F)c(Br)c1 378829122 JBBLDEOZQGHONF-CMPLNLGQSA-N 283.144 3.623 30 20 CHED CC[C@H](C#N)NC(=O)CCCc1ccc2ccccc2c1 180158569 SJJCTBBOAAEGOK-QGZVFWFLSA-N 280.371 3.581 30 20 CHED Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1cccc(C#N)c1 182060677 ZQHFRASHFPXEDT-NWDGAFQWSA-N 283.375 3.617 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1sc2c(c1C#N)CCC2 186587459 RUVFXQQBYKNTEQ-WDEREUQCSA-N 288.416 3.873 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(Cl)cc1 136960354 NTYMPAGBNVOVOC-FZMZJTMJSA-N 250.773 3.553 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)o1 130963300 PKXZIIMIKMJOCU-UHFFFAOYSA-N 298.342 3.808 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCc1ccsc1 412845095 VCINZYGBLWRPBB-QGZVFWFLSA-N 299.439 3.984 30 20 CHED N#Cc1cccc(NCc2ccc(Cl)cc2C#N)c1 187704709 IFNUXBWVVDMSDE-UHFFFAOYSA-N 267.719 3.695 30 20 CHED CCN(C(=O)[C@H](C)CC(F)F)[C@@H](C)c1ccc(C#N)cc1 412127330 FSWHUHSXYZHGOF-NEPJUHHUSA-N 294.345 3.759 30 20 CHED Cc1cccc(NC(=O)c2cccc(CC#N)c2)c1C 42192126 YIWKGWFYQRWCIE-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1cc(Cl)ccc1C#N 410560400 UVWNJEAPYLUELE-UHIISALHSA-N 288.778 3.611 30 20 CHED CCc1nc(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)co1 329631313 WLOMXOUIPRGXBO-RWMBFGLXSA-N 276.380 3.901 30 20 CHED Cc1ccc(CN(C(=O)Nc2ccc(C#N)cc2)C2CC2)o1 47333728 YITOPTDJNKNZKG-UHFFFAOYSA-N 295.342 3.656 30 20 CHED C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CC(C)(C)O1 41680745 AKRRYTLJZFQLSB-SNVBAGLBSA-N 298.308 3.581 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OC(F)F)cc1 196737449 RAQRNFUGLLZHAA-UHFFFAOYSA-N 269.291 3.829 30 20 CHED C[C@@H]1C[C@@H]1C/N=C(/O)c1coc(C2CCCCC2)n1 328738833 KXYQNRMQJSCOTR-ZYHUDNBSSA-N 262.353 3.683 30 20 CHED N#C[C@@H](C(=O)/C=C/c1cccs1)c1nc2ccccc2[nH]1 46440917 BTBGDACGKSVOBB-GUOLPTJISA-N 293.351 3.514 30 20 CHED CC(C)(C#N)CCOc1ccc(Cl)c([N+](=O)[O-])c1 288384683 JCKHFPXVNUOQPG-UHFFFAOYSA-N 268.700 3.567 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1c(F)cccc1Cl 81511329 PTRGNXDQVJHJQG-LLVKDONJSA-N 296.773 3.924 30 20 CHED CC[C@@H]1CCCC[C@H]1/N=C(/O)c1cc(O)nc(C2CC2)c1 329942003 COKFYNFYBOALCJ-BXUZGUMPSA-N 288.391 3.938 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCCc2c(O)cccc21 190324318 OGHLQPWUKQSMQY-INIZCTEOSA-N 285.387 3.654 30 20 CHED CCCCCCC[S@@](=O)Cc1cnc(C)s1 133394265 QJRFSWJXLCIRJE-INIZCTEOSA-N 259.440 3.671 30 20 CHED Cc1nc(C)c(C/N=C(/O)[C@H]2CSc3ccccc32)o1 329151405 AWYAFAIIVQRONU-LBPRGKRZSA-N 288.372 3.637 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CCc2ccccc2)CCC1 190358388 VBFMLLJQHYWRLS-HNNXBMFYSA-N 271.404 3.870 30 20 CHED C=C(C)CN(Cc1cccc(C)c1)Cc1ccc(CO)o1 512415488 MYPGJUMVWNUSQD-UHFFFAOYSA-N 285.387 3.659 30 20 CHED Cc1ccc(C[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)cc1 518403689 JDISOBQHPSJSEZ-CEXWTWQISA-N 282.431 3.942 30 20 CHED C=CCN(Cc1cc(OC)c(OC)cc1O)c1ccccc1 191971792 GTVYZKGBIYINHW-UHFFFAOYSA-N 299.370 3.602 30 20 CHED Cc1sc(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)c(C#N)c1C 329349679 DCZWTXMHXSNYCP-LDYMZIIASA-N 290.388 3.830 30 20 CHED C[C@@H]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C1 429594442 XQBLSLMNWUXGBQ-IAQYHMDHSA-N 262.784 3.832 30 20 CHED C=CCC(CC=C)c1nc(Cc2cccnc2C)no1 420513906 YLMBURJOPIBSLD-UHFFFAOYSA-N 269.348 3.600 30 20 CHED Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H](C)C#N)c1C 336347811 SVCZISGUKJYYTM-BBRMVZONSA-N 270.376 3.517 30 20 CHED CN(Cc1ccc(Cl)s1)CC1(CC#N)CC1 88259348 FRNUNQMDJMGLSC-UHFFFAOYSA-N 254.786 3.527 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@@]2(CC=CCC2)C1 337822122 SKZIOVVVMGKUEF-SFHVURJKSA-N 298.434 3.668 30 20 CHED CC(C)N(Cc1ccc(F)c(C#N)c1)CC1CCC1 193211447 DCUFJNVLITWUID-UHFFFAOYSA-N 260.356 3.708 30 20 CHED CCN(CCSc1ccc(C)c(C)c1)C[C@H](C)C#N 513437652 FDLLJUZXWRIEFP-CYBMUJFWSA-N 276.449 3.877 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2occc2C(C)C)no1 426195963 WZWSGSJHHDMHHD-UHFFFAOYSA-N 283.287 3.893 30 20 CHED CC(C)(C)[C@@H](Nc1cncc(C#N)n1)c1ccc(F)cc1 420606921 YZBHXIFDEQRYQQ-HNNXBMFYSA-N 284.338 3.687 30 20 CHED C=CC(C)(C)CN[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 384833951 GCPVFRIAZZWBHY-UONOGXRCSA-N 296.455 3.624 30 20 CHED N#C[C@@]1(C(=O)NCCC2=CCCCCC2)CC12CCCC2 333649815 DWTYHHRSAPIEDQ-GOSISDBHSA-N 286.419 3.857 30 20 CHED Cc1ncc(CSc2ccc(C#N)cc2F)s1 336376011 FLECAJUNTLDJRX-UHFFFAOYSA-N 264.350 3.755 30 20 CHED CCN(Cc1ccccc1C)C(=O)C1(C#N)CCCCC1 98113204 BVSZNXHVJVNHLI-UHFFFAOYSA-N 284.403 3.818 30 20 CHED CC1(C)CCC([S@](=O)Cc2ccc(C#N)cc2)CC1 335428096 XKVNRXXNSOYOFZ-LJQANCHMSA-N 275.417 3.776 30 20 CHED Cc1oc2ccc(NC(=O)NCC(C)(C)C#N)cc2c1C 335965847 APICTCOLIHLHKK-UHFFFAOYSA-N 285.347 3.721 30 20 CHED C=CC[C@H](C)[C@@H](C)NCC1(CO)CC(c2ccccc2)C1 433092289 OAYVOULJBYOFNS-HEZAVNPASA-N 287.447 3.733 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1N/C(O)=N/[C@@H]1CC[C@H](C)C1 331306066 VIUDYZGXHISWKL-JOYOIKCWSA-N 291.351 3.726 30 20 CHED CC(C)(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 514484720 WNKMKVTUCHRUNZ-UHFFFAOYSA-N 296.330 3.903 30 20 CHED CCCC(C)(C)CC(=O)NCC#Cc1cccc(F)c1 513125554 HAPGNYXRLUOEIZ-UHFFFAOYSA-N 275.367 3.510 30 20 CHED Cc1ccc(NC2CCC(C)(C#N)CC2)cc1C(=O)N(C)C 335910357 BPFZBSQXIZCETP-UHFFFAOYSA-N 299.418 3.581 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@H](c3ccccc3)C2)n1 431493976 DWJCEJOGLQEQFM-KRWDZBQOSA-N 291.398 3.954 30 20 CHED C#CCOc1ccc(CN[C@@H]2c3ccccc3C[C@H]2C)cc1 237382362 OWTWDWFYGDJQJR-QRWLVFNGSA-N 291.394 3.722 30 20 CHED Cc1ccc(CCC(=O)OCc2ccc(C#N)cc2)c(C)c1 247879334 QFHFMQZRDKVPNZ-UHFFFAOYSA-N 293.366 3.851 30 20 CHED C[C@H](C1CCC1)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 347169266 NMTGULIXNXWKDX-CYBMUJFWSA-N 282.387 3.502 30 20 CHED C=CC[C@@H](C)NC(=O)NCC1(c2ccc(F)cc2)CCC1 342522247 HSZDJZQEHVYLGK-CYBMUJFWSA-N 290.382 3.511 30 20 CHED Cc1nsc(NCc2nc(C(C)C)c(C)s2)c1C#N 342199647 IXNKPPCMOVBIKY-UHFFFAOYSA-N 292.433 3.824 30 20 CHED N#CCCN(CC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245897788 KREGZHHDYODHID-IXDOHACOSA-N 288.435 3.745 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCCOc2c(F)cccc21 602587430 GWXBIQOURFYYLP-SWLSCSKDSA-N 276.355 3.569 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)ccc1-n1ccnc1 343525292 OOTZUZOLOMXGTF-OAHLLOKOSA-N 297.402 3.655 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](C)C2CCCCC2)cc1 607523865 NTAIPHSAQPDQAA-CQSZACIVSA-N 287.403 3.950 30 20 CHED C=CCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@@H](C)CC 522577698 XEKAGOHDTCSSSJ-BLLLJJGKSA-N 285.391 3.733 30 20 CHED COc1ccc([C@H](C)CCNC[C@@H](C)CCC#N)cc1 602556723 LUDIIABGFFLXIB-LSDHHAIUSA-N 274.408 3.718 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)c1cccc(C)n1 343381465 ZVMPXEFCYOWQNF-UHFFFAOYSA-N 284.407 3.750 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(F)c1)C2 255906539 IYWLPQVSSQTAMX-NTUHNPAUSA-N 268.287 3.657 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)NCCCCC#N 521411384 JWKCNJOKUZNSFL-UHFFFAOYSA-N 287.407 3.611 30 20 CHED CC[C@H](C)[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)c1ccccc1 251853908 NKCJACHYBNFDLY-ORQFMDKSSA-N 284.403 3.625 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1nc(C2CC2)cs1 342691700 ISDKSLJFDQHMHP-UHFFFAOYSA-N 283.400 3.524 30 20 CHED N#CCC1CCN(CCSc2ccc(F)cc2)CC1 541951624 FRFQAGGJLMATFT-UHFFFAOYSA-N 278.396 3.543 30 20 CHED N#CCCCN[C@@H]1CCC[C@@H]1c1ccccc1Cl 349659813 ZZBDGWJXVVFKTE-UKRRQHHQSA-N 262.784 3.869 30 20 CHED COCCCC[C@@H](NCC1(CC#N)CC1)c1ccccc1 602822255 ULJZGRZENSFTHD-QGZVFWFLSA-N 286.419 3.828 30 20 CHED C=CCC[C@@H](NC(=O)NC)c1ccc(C(F)(F)F)cc1 441324296 NFYJHDDEXLSZAB-GFCCVEGCSA-N 286.297 3.642 30 20 CHED Cc1cccc2cc(C(=O)N(C)c3ccc(C#N)cc3)oc12 440059182 DINPHEMEBMRZAA-UHFFFAOYSA-N 290.322 3.890 30 20 CHED N#Cc1cccc(CN[C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 602648908 POGRGZOMZOFFAG-HOCLYGCPSA-N 295.361 3.518 30 20 CHED CC(C)CC(CC(C)C)C(=O)N[C@@](C)(C#N)C(C)C 448842960 GVOPHLBRGHVIOY-INIZCTEOSA-N 266.429 3.749 30 20 CHED C=CCSCCNC(=O)Nc1c(C)cc(C)cc1Cl 604488431 ZDKLEKLYYPLOBZ-UHFFFAOYSA-N 298.839 3.998 30 20 CHED CCC1CCC(N(C)C(=O)NCc2ccc(C#N)cc2)CC1 608918936 VLAHJFROHWWCPJ-UHFFFAOYSA-N 299.418 3.668 30 20 CHED N#CCC1(CN2CCC(OCC3CCCCC3)CC2)CC1 602781161 KFOQXDFYSPJOTM-UHFFFAOYSA-N 290.451 3.742 30 20 CHED C=CCC1(C(=O)NCc2nc(C)cs2)CCCCC1 448646999 KKOPUJDQERGXSR-UHFFFAOYSA-N 278.421 3.594 30 20 CHED Cn1ccc2c(NCc3ccccc3C#N)cccc21 608886315 GTJRVGJQCFCJNB-UHFFFAOYSA-N 261.328 3.662 30 20 CHED Cc1cc(C)c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)s1 601189833 MOIIXXIPNMNMKF-ZUZCIYMTSA-N 276.405 3.567 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2ccccc2C(F)(F)F)C1 442721895 UTRKPPJCWDNAMD-DGCLKSJQSA-N 282.309 3.530 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 530802590 VOKUSDSSOCKZLA-KKUMJFAQSA-N 276.424 3.791 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H](C)C1CCCCC1 359394779 YVGWIZSJUYFJQM-CQSZACIVSA-N 262.397 3.521 30 20 CHED C[C@H](NCCc1cccc(F)c1)c1ccc(C#N)c(F)c1 538502270 HIZHIZFPSXBOPA-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C=CCCN(C)c1ncnc2sc3ccccc3c12 440646251 XVWMWDURSYAAMJ-UHFFFAOYSA-N 269.373 3.857 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 539299341 XYBRMCBUHBNXKS-IAOVAPTHSA-N 293.838 3.750 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](C)C3(CCC3)C2)CC1 356687535 YJBDHRSYWDLETQ-AWEZNQCLSA-N 261.409 3.772 30 20 CHED C=CC[C@@H](CO)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 354022585 QQFAMUGKYKQUBY-KDOFPFPSSA-N 289.394 3.536 30 20 CHED CC[C@@H](O)CCCNc1ccc(C#N)cc1C(F)(F)F 357506278 CBLOTITXPZPTHV-LLVKDONJSA-N 286.297 3.540 30 20 CHED CC(C)C[C@@H](C(=O)NCCCCC#N)c1ccccc1 353710426 JQBUGAWWFXJGIV-MRXNPFEDSA-N 272.392 3.626 30 20 CHED CC[C@H](CC(F)(F)F)Nc1nc(C)cc(C)c1C#N 354600264 KADOJWUSWVMEBY-SNVBAGLBSA-N 271.286 3.713 30 20 CHED C=CCCCSc1nncn1[C@@H](C)c1ccccc1 265344370 RWEQTOAWBCHNHF-ZDUSSCGKSA-N 273.405 3.946 30 20 CHED COc1cccc(CCCNC2CCC(C)(C#N)CC2)c1 449134821 LOHUXGNDOCBHCX-UHFFFAOYSA-N 286.419 3.690 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1CCCn2nc(C(C)C)nc21 449194454 PDHMYQLVLLTRSP-CABCVRRESA-N 290.455 3.961 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(F)cc1C#N 618693785 PFFXLDLTRUTJGT-KRWDZBQOSA-N 277.302 3.668 30 20 CHED C[C@H](C#N)CN(C)[C@@H](C)CCSc1ccccc1 269266700 HCQCNBDZBMWMIB-KGLIPLIRSA-N 262.422 3.649 30 20 CHED Cn1nccc1-c1ccccc1OCc1ccccc1C#N 358602883 XPVFPHSQGNTFTB-UHFFFAOYSA-N 289.338 3.538 30 20 CHED CC(C)(CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl 442776656 HPUJXWYXQZMDLZ-QWHCGFSZSA-N 276.811 3.899 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(F)c1F 618742551 ZIWSEMKTTNWDBZ-INIZCTEOSA-N 284.309 3.614 30 20 CHED CC(C)(C)c1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1 612237711 BORXRWYGNDTGMR-GOSISDBHSA-N 284.403 3.750 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(F)c2C#N)C1 358285263 CVPVKQWPDKEVDH-LBPRGKRZSA-N 288.366 3.596 30 20 CHED C=CCCC1(C(=O)Nc2cccc(COC)c2)CC1 354386948 KZYXQCUGXHGBOT-UHFFFAOYSA-N 259.349 3.518 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Cc1ccc(Cl)cc1 533692147 RHMWCPSSPYGILI-CYBMUJFWSA-N 279.811 3.943 30 20 CHED N#Cc1ccc(CNCCCCCOC2CCCCC2)o1 537290324 QYZAFRRQGGEOSP-UHFFFAOYSA-N 290.407 3.760 30 20 CHED CC(C)[C@H]1CN(C(=O)c2ccc(CC#N)cc2)[C@@H]1C(C)C 456319554 GBLCYDUXKDOIAG-IAGOWNOFSA-N 284.403 3.505 30 20 CHED C=CCC(CC=C)C(=O)Nc1scnc1C(C)C 456445288 XSKPYSDKJIRPAR-UHFFFAOYSA-N 264.394 3.973 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@@H](CC)C1 362817333 KMIJGDUHRGVUJD-CYBMUJFWSA-N 275.417 3.837 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)[C@H](C#N)CCc1ccccc1 453005527 UYAFCMHHHBLUOV-FGTMMUONSA-N 298.430 3.701 30 20 CHED CC1(C)CCCN(C(=O)c2cc3occc3s2)[C@H]1C#N 617985977 INWBVSRYHMYXAD-ZDUSSCGKSA-N 288.372 3.649 30 20 CHED C=CCCC[C@H](C)NC(=O)NC(C)(C)c1ccccc1 539468455 ZDIYCRVPCDUFQB-AWEZNQCLSA-N 274.408 3.966 30 20 CHED C=C(C)CCNC(=O)Nc1cc(OC)ccc1OC(C)C 454737521 NHYZBMJVIVXCQS-UHFFFAOYSA-N 292.379 3.570 30 20 CHED Cc1cc(NCC2(CC#N)CC2)c2ccc(F)c(F)c2n1 362361419 XKQQQLSITHKPML-UHFFFAOYSA-N 287.313 3.927 30 20 CHED C=CCSc1ccccc1C(=O)NC/C=C\CC 452608425 YIHWXBCUHNSRAU-YVMONPNESA-N 261.390 3.661 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc2cc(F)ccc2s1 700580088 NKTHUGITEQWGLS-GFCCVEGCSA-N 275.348 3.572 30 20 CHED C=CCC[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1ccco1 367592336 CCRVBNVOGUJMMA-YQQAZPJKSA-N 275.392 3.834 30 20 CHED C#CC[C@@H](NCCCC(C)(C)C#N)c1ccccc1 271655053 CADBTJICQHCJQV-MRXNPFEDSA-N 254.377 3.671 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@@H](Cc1ccccc1)C(C)C 611250607 LCLZEACHWCSYEV-IRXDYDNUSA-N 286.419 3.556 30 20 CHED C[C@H](C#N)CNC(=O)NC(C)(C)CC1CCCCCC1 548372558 AMRPEURLCUEMSH-CYBMUJFWSA-N 279.428 3.584 30 20 CHED N#Cc1cccc(C2(NCC3CCCCC3)CC2)c1 611039984 GLICNWYIVOIFGV-UHFFFAOYSA-N 254.377 3.717 30 20 CHED C=C(CC)CN[C@H](c1nc(C)cs1)C(F)(F)F 451129428 MQINCMKKYGFECY-SECBINFHSA-N 264.316 3.611 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(C)(C)Oc1ccc(F)cc1 540530686 FIRHGTYWGOTEII-CYBMUJFWSA-N 293.382 3.844 30 20 CHED C=C(C)CCN[C@H](C)c1nc(C2CCCCC2)no1 274796746 DIYXUFYSBWRTQQ-GFCCVEGCSA-N 263.385 3.734 30 20 CHED C=CCN(C(=O)Nc1c(C)noc1-c1ccccc1)C1CC1 274844436 DPHSNLGXJIQRMO-UHFFFAOYSA-N 297.358 3.832 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2nc3ccccn3c2C#N)o1 541113068 ODIRLCIDCOPZLB-DGCLKSJQSA-N 292.342 3.534 30 20 CHED C[C@H](CCc1cccc(C(F)(F)F)c1)NCCCC#N 273167523 BCLGJOAMAOYWMZ-GFCCVEGCSA-N 284.325 3.920 30 20 CHED CC(C)[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 270340913 ZKGXXKCXZGNTIB-SFHVURJKSA-N 292.382 3.880 30 20 CHED CCC(CC)(CC)NC(=O)Nc1ccc(C#N)cc1OC 546709096 LJZVDDKSJKEBNG-UHFFFAOYSA-N 289.379 3.657 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)cs1)C(C)(C)C 452661917 LHBKPXRHVMCAKH-LBPRGKRZSA-N 264.394 3.564 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1ccncn1)c1ccc(F)c(F)c1 453199465 QFGMVRSNMHZWPN-ZBEGNZNMSA-N 289.329 3.723 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)NCC(C)(C)CC#N)CCC2 458804463 XERWYEQZKMKZRC-MRXNPFEDSA-N 299.418 3.612 30 20 CHED C[C@]1(NCc2cc(C#N)cs2)CCCc2ccccc21 547286330 OFJBPAFOHYMGHQ-KRWDZBQOSA-N 282.412 3.961 30 20 CHED Cc1c(C(=O)N(CC#N)c2ccccc2)ccn1C(C)C 460054199 FKARZKVZURMQTG-UHFFFAOYSA-N 281.359 3.548 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCC[C@H]1c1ccccc1 376990474 ATSIFHQKQGWVHA-INIZCTEOSA-N 299.418 3.863 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](C3CC3)C2)cc1 377884589 OXUFLQMEROPGPO-YOEHRIQHSA-N 284.403 3.599 30 20 CHED CC[C@@H](c1ccc(F)cc1)N1CCC(CC#N)CC1 541953393 KUDFXHUGUKJQNE-INIZCTEOSA-N 260.356 3.902 30 20 CHED C=C(C)[C@@H](CC(=O)NCc1ccc(Cl)c(C)c1)OCC 543500155 DVZCEDYDVIYBGG-OAHLLOKOSA-N 295.810 3.636 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N(C)c1ccc(C#N)cc1 544400717 LJCGKNRWPDZQGS-ZDUSSCGKSA-N 272.392 3.983 30 20 CHED C=CCOCCCC(=O)N[C@H](CC)c1cc(C)ccc1C 629109218 PPDKQZUCXFCNFB-QGZVFWFLSA-N 289.419 3.854 30 20 CHED C=CCCCCCCCCNC(=O)Cc1c(C)noc1C 287002313 YVWUXRMUWVMVIW-UHFFFAOYSA-N 292.423 3.867 30 20 CHED CC(C)(CCC#N)CNCc1c[nH]nc1-c1cccs1 377405021 RQXFGKGSGTUKEJ-UHFFFAOYSA-N 288.420 3.558 30 20 CHED Cc1cc(NC(=O)N(C)[C@H](C)CC#N)cc(C)c1Cl 283136535 ZVAZLHPDCCWWAM-LLVKDONJSA-N 279.771 3.723 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Br)cc1 467515162 WBMKOUHIYCYSIQ-ZDUSSCGKSA-N 282.181 3.990 30 20 CHED C[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1 282489097 IYJGYYUWFQDNJK-BXUZGUMPSA-N 292.329 3.561 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccc(F)cc1)C1CC1 466378425 MNKVDARGWSLYAS-OAHLLOKOSA-N 290.382 3.854 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(CC)cc1 559912166 XCTJIUNFFWKHCR-UHFFFAOYSA-N 259.393 3.510 30 20 CHED CCc1[nH]ccc1C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 285002169 CKXXEYHWSCMWSM-CYBMUJFWSA-N 295.386 3.672 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1c(C)cccc1C 466530444 QWFOPJJZSQGKPR-HNNXBMFYSA-N 275.392 3.543 30 20 CHED CN(CC1CCCCC1)C(=O)[C@@H](C#N)CCc1ccccc1 469522138 ODYCQDNSNGBQQD-GOSISDBHSA-N 298.430 3.798 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)CCc1ccccc1F 463234889 BEWWUMKZQMJMGK-CQSZACIVSA-N 275.367 3.595 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2ccc(Cl)cc21 467348679 XMHIXWFUSPQTAJ-UHFFFAOYSA-N 275.779 3.998 30 20 CHED C=CC[C@H](C)N[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 638611305 TWROLNDGEQDMJC-IEZWGBDMSA-N 284.447 3.909 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1cccc(F)c1 805696917 PDHXTZBOEURSKP-LBPRGKRZSA-N 263.312 3.904 30 20 CHED CC(C)CCC(=NNc1cncc(Cl)n1)C1CC1 802709018 NXRLTZCXLRHYOX-UHFFFAOYSA-N 266.776 3.744 30 20 CHED CSC[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 292404403 LOSMSVNSYKQDKR-HIFRSBDPSA-N 274.433 3.694 30 20 CHED C=CC[C@H](Cc1ccccc1)NCCC1CCOCC1 639267361 YOZAOXKPWMRAKC-GOSISDBHSA-N 273.420 3.580 30 20 CHED C=CCC(CC=C)c1nc(Cc2ccc3n[nH]cc3c2)no1 800119446 PXUDZHHOOLLNGT-UHFFFAOYSA-N 294.358 3.773 30 20 CHED C#C[C@@H](Nc1cncc(Cl)n1)c1ccc(Cl)cc1F 804807229 BUVYDNDKLHGTAH-LLVKDONJSA-N 296.132 3.709 30 20 CHED CCCCCCCC(=O)Nc1ccc(F)c(NC(N)=O)c1 293921672 NBPCZKYIBFRVLA-UHFFFAOYSA-N 295.358 3.615 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc3cc[nH]c3c2)no1 809337133 SLLYQUYPYXTNLH-UHFFFAOYSA-N 265.316 3.519 30 20 CHED C=CCCCCNC(=O)c1ccc(F)cc1OC(F)F 471673330 FSDBIBITINHPIK-UHFFFAOYSA-N 287.281 3.513 30 20 CHED C=C(C)CN(C)C(=O)NCc1cccc(C(C)C)c1 477725957 LEPXCWOKRIWKEM-UHFFFAOYSA-N 260.381 3.528 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)CC(C)(C)C#N 294179124 SZRYBEIVDRQHME-UHFFFAOYSA-N 264.756 3.551 30 20 CHED C#C[C@@H](NC(=O)CCCc1ccc(Cl)cc1)C(C)(C)C 807881647 OSZSFGYKFWVWEZ-OAHLLOKOSA-N 291.822 3.827 30 20 CHED CC1(C)CC=C(C(=O)Nc2ccccc2CC#N)CC1 568881400 OJPCGNWWWPLRIM-UHFFFAOYSA-N 268.360 3.828 30 20 CHED Cc1cc(OCCO[C@@H](C)C#N)c(C(C)(C)C)cc1F 802734793 PCXPVIRWQQUPED-LBPRGKRZSA-N 279.355 3.739 30 20 CHED CCOC(=O)c1ccc(/C=C2/C(=O)c3ccccc3[C@@H]2C)o1 809155718 DOYWIQFOEVUNMD-KBVGCWLLSA-N 296.322 3.840 30 20 CHED N#CCCCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 292307503 VCRKLBIXLUDDJB-MOPGFXCFSA-N 294.398 3.745 30 20 CHED C=CCn1c(SCSC)nnc1-c1ccccc1C 292702008 QPSHVLBQVNHPNS-UHFFFAOYSA-N 291.445 3.852 30 20 CHED CC[C@H](O)c1ccc(OCc2ccc(CC#N)cc2)cc1 398966351 RIAKPRIZPLUSLH-SFHVURJKSA-N 281.355 3.775 30 20 CHED CC(=O)c1c(Cl)cccc1N1CCC[C@@H](CC#N)C1 641657824 XIIFSTLJOVEKHC-LBPRGKRZSA-N 276.767 3.673 30 20 CHED N#CC1(CN=c2[nH]c(-c3ccccc3Cl)cs2)CC1 564866074 KFQVDDHHFAWNCF-UHFFFAOYSA-N 289.791 3.601 30 20 CHED C=CCCOCCCCC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 647499593 WYKUJIHEXRLHDY-JKSUJKDBSA-N 293.451 3.787 30 20 CHED N#CCCCC(=O)Nc1ccc(OC2CCCC2)cc1 292361649 CTLFHLQMSLSUTK-UHFFFAOYSA-N 272.348 3.640 30 20 CHED N#Cc1ccc(C(=O)OCCc2ccccc2Cl)s1 805484434 JEAAPMLONOPOSW-UHFFFAOYSA-N 291.759 3.673 30 20 CHED C=CCCCN(C)c1ccc2c(C)cc(=O)oc2c1 805771620 RCZCUHSQDIBYNW-UHFFFAOYSA-N 257.333 3.504 30 20 CHED CC1(NC(=O)c2ccc(Cl)c(C#N)c2)CCCCC1 564293251 CGEWPZKKCFLBCQ-UHFFFAOYSA-N 276.767 3.664 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H]1C[C@]1(C)C(C)C 476389765 OSIYDBYPHHKWIA-CRAIPNDOSA-N 287.403 3.550 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 563260813 YEVKEZDWRJUQIL-XFKAJCMBSA-N 296.414 3.747 30 20 CHED N#CCCCOC(=O)c1cc(Cl)c(F)cc1Cl 815504615 FOFUFHDOYSJBBO-UHFFFAOYSA-N 276.094 3.593 30 20 CHED C=CCn1cccc1C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 488949657 SXCXUYDYFBLDLG-SJORKVTESA-N 294.398 3.740 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(-c2ncc[nH]2)ccc1C 816547759 IHDUSOFLUFKZOR-UHFFFAOYSA-N 291.301 3.535 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](COC)c1cccc(OC)c1 658165135 PSPVISAOZMZBEH-VBQJREDUSA-N 277.408 3.573 30 20 CHED Cc1nn(-c2ccc(F)cc2)c(C)c1C=NOC1CCC1 812235270 QXWCHVAKRAOBIP-UHFFFAOYSA-N 287.338 3.531 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCc1csc(C)n1 657832704 MEMXMFANQNJPST-ZFWWWQNUSA-N 264.438 3.719 30 20 CHED C#C[C@H](/N=C\c1c(O)cccc1OC)c1ccc(Cl)cc1 811625817 WKWXBZFEXFAHQR-VUQQOUJSSA-N 299.757 3.848 30 20 CHED C=CCOc1ccccc1C(=O)NCC(C)(C)CC=C 489953432 BYGIVZMOHQEVAJ-UHFFFAOYSA-N 273.376 3.584 30 20 CHED C=CCCCCS[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O 572104449 WPUPJQCHTUVAAG-HZSPNIEDSA-N 267.438 3.523 30 20 CHED N#CCC1(OC(=O)Cc2ccc3ccccc3c2)CCC1 810856642 XZUDJTXSJQICLB-UHFFFAOYSA-N 279.339 3.762 30 20 CHED Cc1ccc([C@@H]2CCCCN2Cc2ccc(C#N)cn2)cc1 570938155 ITQMWDALNBFEEP-IBGZPJMESA-N 291.398 3.989 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1ccc(F)c(C#N)c1 571350294 ONSIUVFJTJQUEN-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc(CF)cc1 826097166 REHUSAGEPOAGDW-UHFFFAOYSA-N 276.355 3.558 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCCCC[C@H]1c1ccco1 820641382 UKZVXZQZXAVSBI-GJZGRUSLSA-N 288.391 3.708 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 498105968 DNLTXFZXURLDPR-RBSFLKMASA-N 264.413 3.563 30 20 CHED C=CC[C@H]1CCCN([C@@H](C)c2nc(C(C)C)no2)C1 661379189 VNMVRWMIAFDWKN-STQMWFEESA-N 263.385 3.542 30 20 CHED Cc1ccnc(NCC[C@]2(C)CC2(Cl)Cl)c1C#N 829062849 JMGPHRBVYYXRBK-GFCCVEGCSA-N 284.190 3.648 30 20 CHED C=CCCOCCCCC(=O)O[C@H]1CCC(C)(C)C1 820493175 NMWPXVCZXPYYFY-AWEZNQCLSA-N 268.397 3.871 30 20 CHED CC1(C#N)CN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 495627605 ZNMYGHQLMTXKQZ-UHFFFAOYSA-N 291.354 3.731 30 20 CHED N#Cc1cnc(/C=C/c2ccc(N3CCCCC3)cc2)cn1 905080039 FYMFKPAGRQVIIN-QPJJXVBHSA-N 290.370 3.509 30 20 CHED CC#CCN(C)C(=O)Nc1cc(C)ccc1C(F)(F)F 667937309 FHRZXTQKFKCECF-UHFFFAOYSA-N 284.281 3.501 30 20 CHED Cc1cc(NC(=O)C#CC(C)(C)C)ccc1N1CCCC1 837323921 RRFUAKYYHAOFAO-UHFFFAOYSA-N 284.403 3.583 30 20 CHED N#Cc1ccccc1OCCCCC1(C#N)CCC1 901381599 PFHVEEVNJQQFFI-UHFFFAOYSA-N 254.333 3.801 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 837928396 VDKILCXZWSWKLA-HUUCEWRRSA-N 293.357 3.993 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)N(C)[C@H](C)C#N 839366794 KUGXSMPBRGRRBJ-UKRRQHHQSA-N 252.402 3.744 30 20 CHED C=CCC1(NC(=O)CCCOC(C)(C)C)CCCCC1 836956996 NHPVQONPJKBZLH-UHFFFAOYSA-N 281.440 3.977 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(CCC#N)CC2)cc1 584841493 PFTYEYLXRXPOIB-ZWKOTPCHSA-N 296.414 3.641 30 20 CHED C=CC[C@H](NC(=O)N(C)C1CCCCC1)c1ccncc1 734683013 IZWLRKFLDVCPKX-INIZCTEOSA-N 287.407 3.673 30 20 CHED CC(=NNc1cccc(C#N)c1)c1sccc1C 733744609 NTIMFPATNLOWEF-UHFFFAOYSA-N 255.346 3.764 30 20 CHED C[C@H](NN=C1CCC[C@H](c2cccnc2)C1)C(F)(F)F 834997266 AVLXACBTKGATLF-QWRGUYRKSA-N 285.313 3.636 30 20 CHED C#CCOc1ccc(NC(=O)[C@H](CC)c2ccccc2)cc1 730982362 BZLRWDYZJREUQV-GOSISDBHSA-N 293.366 3.831 30 20 CHED C[C@@H]1CC2(CCOCC2)CN1c1cc(Cl)ccc1C#N 591992812 MQEMGDLAEAZURK-GFCCVEGCSA-N 290.794 3.607 30 20 CHED Cc1ccc(CNC(=O)Nc2scc(C)c2C#N)s1 590605629 WYVXJGJSCBHHCW-UHFFFAOYSA-N 291.401 3.620 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1coc2ccc(Cl)cc12 593082230 UHYUNKFFJCYHMA-CYBMUJFWSA-N 290.750 3.754 30 20 CHED CSc1ccccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839060368 ZYCQIOBIVAHDMC-RYUDHWBXSA-N 275.373 3.648 30 20 CHED COC(=O)c1cccc(NN=CC2CCCCC2)c1F 835018386 MWVOBZDKWGUDNP-UHFFFAOYSA-N 278.327 3.590 30 20 CHED CC[C@H](Cc1ccc(Br)cc1)NC[C@H](C)C#N 597082262 IATLOUDKZPALIG-BXUZGUMPSA-N 295.224 3.519 30 20 CHED C[C@@H](NN=C(CC(C)(C)C)C1CC1)C(F)(F)F 834997785 JRADZGZDUOVLJE-MRVPVSSYSA-N 250.308 3.729 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)CCCc1cccnc1 590969941 ILLHZDASJWPLTB-INIZCTEOSA-N 293.414 3.763 30 20 CHED COCCCOc1cccc(C=NNc2cccc(C)c2)c1 746484597 LBVYOJUKSMVCLI-UHFFFAOYSA-N 298.386 3.856 30 20 CHED C=CCN(CCC#N)C(=O)CCCC[C@@H](C)CC 590038532 ZTWHIBGAPWIZBZ-AWEZNQCLSA-N 250.386 3.521 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](CC#N)C1 595651201 GQBUFSYKXZCGMZ-RRFJBIMHSA-N 291.439 3.536 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(-c2ccccc2)cc1F 746120505 LMUITCQEHJKING-NSHDSACASA-N 268.291 3.591 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(CCSC)cc1 599298811 ZNLYYOUIZMLPTH-UHFFFAOYSA-N 290.432 3.861 30 20 CHED Cc1cccc(N=C2NN=C(C3CCCC3)CS2)c1 743276851 AEVVQSPIPCJREQ-UHFFFAOYSA-N 273.405 3.865 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)ccc1O 749890825 CWUCMPQIRCQTTL-RQOWECAXSA-N 290.265 3.581 30 20 CHED COc1ccc(CNN=C(C)[C@H](C)c2ccccc2)cc1 746369673 ZOSNLAXCEFRHKI-AWEZNQCLSA-N 282.387 3.964 30 20 CHED CC[C@@H](C)N(CC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 596632892 QQTAUNNJERUQMF-CXAGYDPISA-N 299.418 3.766 30 20 CHED CC[C@@H](C#N)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 593556964 PGIZDVBHBRRGQX-NEPJUHHUSA-N 293.436 3.644 30 20 CHED CN(c1ccccc1)[C@@H]1CCN(CCCC(C)(C)C#N)C1 595825234 DEQRAUCVADWIHD-QGZVFWFLSA-N 285.435 3.527 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 593546642 IDJKWPGUZPHPBQ-WBVHZDCISA-N 284.403 3.974 30 20 CHED C(=NNCc1ccccc1)c1ccc(N2CCCCC2)cc1 916343796 HRTZWJXVHZZSGI-UHFFFAOYSA-N 293.414 3.801 30 20 CHED Cc1ccc(C#N)c(NCCC[C@H]2CC2(Cl)Cl)n1 845744771 MHVXGPIPJGJBQO-NSHDSACASA-N 284.190 3.648 30 20 CHED CC1(C)CCCN(CCc2nsc3ccccc23)[C@@H]1C#N 595464925 JLJXUBQWCFVQMP-MRXNPFEDSA-N 299.443 3.853 30 20 CHED c1ccc2c(c1)CCC2=NNCc1cccc2cccnc12 915963306 RWYCRJPYQQUIQC-UHFFFAOYSA-N 287.366 3.675 30 20 CHED C=C(C)CONC(=O)[C@H](C)c1c(Cl)cccc1Cl 846539292 DVVUFKKUUVITHB-SECBINFHSA-N 288.174 3.721 30 20 CHED CC(C)(C)CC(=O)N(c1ccc(C#N)cc1)C1CCC1 598887276 VSVDJBQSTVCIFY-UHFFFAOYSA-N 270.376 3.880 30 20 CHED N#CCC1(CSc2nnc(-c3ccc(F)cc3)o2)CC1 594901720 MOHXOABNBDGSBI-UHFFFAOYSA-N 289.335 3.662 30 20 CHED Fc1cc(NN=Cc2ccc(Cl)nc2)cc(F)c1F 748789415 QPUVLFBNRSEMFA-UHFFFAOYSA-N 285.656 3.598 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@H](C)C(=O)c1cccc(F)c1 840478191 RLFGUYMRIVBMHY-BZNIZROVSA-N 278.323 3.542 30 20 CHED N#Cc1cccc(NN=Cc2cc3cc(F)ccc3o2)c1 741763239 ZGDHAUGGNUJIFW-UHFFFAOYSA-N 279.274 3.890 30 20 CHED N#CCOc1ccc(CSCCC(F)(F)F)cc1 742970748 IMNOIJOLKKJGBZ-UHFFFAOYSA-N 275.295 3.775 30 20 CHED Cc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)c1 916244862 CSSSHBOSIRBPJW-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C=C(C)CCOC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 744303769 VDSCXTVCLFXVGZ-NWDGAFQWSA-N 266.287 3.578 30 20 CHED C[C@@H]1Cc2ccccc2N1c1nc(C#N)c(Cl)s1 590570671 TWMWYYWWFCLDBF-MRVPVSSYSA-N 275.764 3.751 30 20 CHED O=C(/C=C\c1ccnn1CC1CC1)c1ccccc1Cl 849240901 XVAYBAMTCXYXNU-FPLPWBNLSA-N 286.762 3.843 30 20 CHED C#CCCCCNC(=O)Nc1ccc(Cl)c(SC)c1 841740267 KKGJVCAOMSCBNM-UHFFFAOYSA-N 296.823 3.987 30 20 CHED Cc1nn(C)c(C)c1C=NNc1ccc(C(F)(F)F)cc1 746576621 AZVXLVMUPOCMSE-UHFFFAOYSA-N 296.296 3.502 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 599318133 UWGFUFKSEGHIRD-AWEZNQCLSA-N 286.419 3.799 30 20 CHED CCCCN(C(=O)c1cccc(C#N)n1)[C@@H]1CCC[C@@H](C)C1 590518077 QLCHLZFHZSXGJJ-GDBMZVCRSA-N 299.418 3.774 30 20 CHED C=CCCSCC/N=C/c1ccc(OCC)cc1O 849170473 PSKMKOUWTHJGRL-FOWTUZBSSA-N 279.405 3.519 30 20 CHED Cc1cc(C)cc(C=NN[C@H](C)c2ccccc2)c1 921260012 NSSVVGTUUGPWOF-OAHLLOKOSA-N 252.361 3.988 30 20 CHED CCCC[C@@H](CC)C(=O)N(C)c1snc(C)c1C#N 748233538 CUUNAHQXKRZFRI-LLVKDONJSA-N 279.409 3.502 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(N(C)CCCC)cc1 844532228 LRBGHYNHTYMSBV-CYBMUJFWSA-N 291.395 3.551 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C\c1cn(C)nc1C)CC2 843272300 JSEXKUBRYJPCFS-JYRVWZFOSA-N 298.411 3.663 30 20 CHED C=C[C@@H](C)ONC(=O)C(C)(C)c1ccc2ccccc2c1 846548635 UMMOADZTEAHKJN-CYBMUJFWSA-N 283.371 3.740 30 20 CHED C#C[C@@H](OC(=O)C1CCC1)c1cccc(C(F)(F)F)c1 842408503 HYNCUPXVKCYZKY-CYBMUJFWSA-N 282.261 3.723 30 20 CHED FC(F)(F)CON=C[C@H]1CCC[C@H](C(F)(F)F)C1 853321403 NNMIQFVUIXKXOS-YUMQZZPRSA-N 277.208 3.920 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccc(F)cc1O)c1ccncc1 756584352 SJIBOTMTJDRGHV-LRDDRELGSA-N 286.350 3.894 30 20 CHED C=CCCCNC1(C(=O)OC(C)(C)C)CCCCC1 759236416 FFKCAYZOGQJKJM-UHFFFAOYSA-N 267.413 3.587 30 20 CHED C[C@H](OC(=O)/C=C1\CC[C@@H](C)C1)c1ccc(C#N)cc1 753644674 RVUZNSKMIAXNSP-ULMKNYBMSA-N 269.344 3.909 30 20 CHED CCOc1ccc(/C=N/Cc2ccccc2C)c(O)c1 920945082 PPQPAFUJHXQEJI-LDADJPATSA-N 269.344 3.718 30 20 CHED Cc1cc(F)ccc1NN=Cc1nc(Cl)cs1 758120417 QVNBAESMCJVHJR-UHFFFAOYSA-N 269.732 3.690 30 20 CHED CCC(CC)C(=O)N1CCC(=NOCCC=C(C)C)CC1 853654225 FBYNCCXQNOREGO-UHFFFAOYSA-N 294.439 3.774 30 20 CHED Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c(O)c1 756627254 SOOGWXFIPOHAQJ-ZIAGYGMSSA-N 280.371 3.984 30 20 CHED C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)c(F)c1 850543325 HTAVKFQCSCNWON-ZMZPIMSZSA-N 296.345 3.741 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1OC)c1ccccc1 756898887 GKBNZVTWJXMTAG-UHFFFAOYSA-N 298.342 3.620 30 20 CHED C#CC(=O)N[C@H](c1ccc(CC(C)C)cc1)c1cccs1 753914326 OLMOJJCAXIUGRA-GOSISDBHSA-N 297.423 3.785 30 20 CHED CC(=NNc1cc(C(F)(F)F)ccc1F)[C@@H]1CCOC1 753946923 MBXRIIUSEZVUNK-SECBINFHSA-N 290.260 3.669 30 20 CHED CC#CCCOC(=O)[C@H](C)c1ccc2ccccc2c1 760294346 HXFKTEXDRZDMDI-CQSZACIVSA-N 266.340 3.900 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C1CC1)[C@H](C)c1ccco1 930516425 WDDXYLPOIQTOBA-CYBMUJFWSA-N 294.354 3.826 30 20 CHED Cc1cc(C=NNc2cc([N+](=O)[O-])ccc2C)ccc1C#N 766446316 GPYDZGHIXNLYJF-UHFFFAOYSA-N 294.314 3.529 30 20 CHED CCC(=NNc1ncc(F)cn1)c1cccc(Cl)c1F 763407333 WESFPSBQSBVUPW-UHFFFAOYSA-N 296.708 3.634 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC=C(c2cccc(OC)c2)C1 935290488 ORBBAUNDTUINII-AWEZNQCLSA-N 285.387 3.523 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](F)c2ccccc2)c1 768980408 JEGQKYUHMRLHFO-MRXNPFEDSA-N 285.318 3.901 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccccc2[N+](=O)[O-])C1 768357086 HLMVQHHFGMLKPX-RYUDHWBXSA-N 261.325 3.819 30 20 CHED Cc1c(C#N)cccc1N=Cc1cc(Cl)ccc1O 769774293 QNEMLMRZPDDLBX-UHFFFAOYSA-N 270.719 3.976 30 20 CHED Cc1cccc(C=NNc2ncnc3ccsc23)c1C 764834888 IBEDDQAIBCTAHL-UHFFFAOYSA-N 282.372 3.754 30 20 CHED CC(C)c1ccc(CC=NO[C@H]2CCCCO2)cc1 760246881 QPOLQLCXQVTNKA-INIZCTEOSA-N 261.365 3.882 30 20 CHED CCC/C(C)=C/C(=O)OCCCCC(C)(C)C#N 768642803 JYKKOGOTMMOBRW-ACCUITESSA-N 251.370 3.996 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cccs1 769822283 HFLGXDABFWIWOW-UHFFFAOYSA-N 279.296 3.632 30 20 CHED C#CCOc1ccccc1-c1noc([C@H]2CC=CCC2)n1 761991083 GDYZGIPACOESPN-ZDUSSCGKSA-N 280.327 3.572 30 20 CHED COc1ccc(C(C)=NNCC(F)(F)F)c2ccccc12 769825105 PEQQCQWTFROAKY-UHFFFAOYSA-N 296.292 3.724 30 20 CHED C(=NNc1ncnc2ccsc12)C1Cc2ccccc2C1 766454080 UUPCCKOLFZOZFU-UHFFFAOYSA-N 294.383 3.504 30 20 CHED C=CCC[C@@H](NC(=O)c1ccnc(OC)c1)c1ccccc1 1116322245 AODNVOVUWBZAJK-MRXNPFEDSA-N 296.370 3.528 30 20 CHED CCc1ccccc1NC(=O)c1ccc(CC#N)cc1 58242932 RAJRFCKEBRSSTD-UHFFFAOYSA-N 264.328 3.567 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2oc(COC)nc2c1 879102252 OVVKZNDLMSFIFJ-UHFFFAOYSA-N 288.347 3.515 30 20 CHED CSc1ccc(C(=O)OCCC(C)(C)C#N)cc1 776368199 QPRGUXUKGZLVAQ-UHFFFAOYSA-N 263.362 3.505 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1(F)CCCC1 772052293 KNQITYOVBSIBOB-UHFFFAOYSA-N 267.388 3.864 30 20 CHED C=CCCC[C@@H](C)NC(=O)/C=C\c1ccc(OC)cc1 775924105 HFQDZVFRLWORIG-QLKUMGTLSA-N 273.376 3.569 30 20 CHED C#CCCCCN[C@H](CC)c1ccc2c(c1)CCCO2 773037760 RCPNXDWIKGKBTE-QGZVFWFLSA-N 271.404 3.856 30 20 CHED Cc1c(C(=O)OCCC(C)(C)C#N)oc2ccc(F)cc12 776372134 YQFDOLGDFFRRMT-UHFFFAOYSA-N 289.306 3.977 30 20 CHED COc1ccc(Cl)c(NC(=O)c2csc(C#N)c2)c1 1125404096 LVEQOMUJOMJZCE-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C#CCCCCCCNCc1nnc(-c2ccccc2)s1 877094216 OOOOSHSNHAFHFV-UHFFFAOYSA-N 299.443 3.878 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(OC)c1F 771247159 WAUFCPHXJFOUHD-NSHDSACASA-N 280.343 3.701 30 20 CHED CC(C)c1nccnc1NN=C[C@@H]1CCCC[C@@H]1C 773085135 FJRFQIWQRPGFEK-STQMWFEESA-N 260.385 3.824 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 771808372 IXJIOOBXFXFZIX-CABCVRRESA-N 269.429 3.667 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(Cc2nc(C)no2)cc1 885616220 ZNELPSDVDXZHRS-ZDUSSCGKSA-N 299.374 3.510 30 20 CHED O=C1C/C(=C/c2ccc(Cl)cc2)C(=O)c2ccccc2N1 774146158 RTVNZJDNKLBGDK-XFXZXTDPSA-N 297.741 3.949 30 20 CHED C=C(CC)CN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 773448856 TWZHAVNOKHMPCE-GJZGRUSLSA-N 296.455 3.578 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C2CC=CC2)n1CC 1121856116 OZPXLHAULXDQQN-HNNXBMFYSA-N 286.423 3.667 30 20 CHED Cc1ccc(N2CCC[C@H]2c2cccs2)c(C#N)n1 881763602 KIVUIZFVTNRQEP-AWEZNQCLSA-N 269.373 3.665 30 20 CHED CCCCCC[C@@H](C)NN=C1CCC(OC)CC1 783850597 ZVZJLAFVKDKWTD-AFYYWNPRSA-N 254.418 3.880 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2nccnc2Cl)C1 783846297 LSBQXDYWLCNMAJ-GHMZBOCLSA-N 266.776 3.744 30 20 CHED CC#CCCCC(=O)OCc1ccc(F)c(Cl)c1 787790534 HEBQECMYNKPGFV-UHFFFAOYSA-N 268.715 3.716 30 20 CHED CC(=O)Nc1ccc(C(C)=NN[C@@H]2CCCC2(C)C)cc1 782288220 PHYRJZDJJJADHN-MRXNPFEDSA-N 287.407 3.537 30 20 CHED N#Cc1ccc(S/C=C/c2ccc([N+](=O)[O-])o2)cc1 789916555 ZPTBZIXKHPLNIH-BQYQJAHWSA-N 272.285 3.822 30 20 CHED CCC(=NNc1nncc2ccccc12)c1cccc(F)c1 783507422 IQQFSODZZADDHG-UHFFFAOYSA-N 294.333 3.995 30 20 CHED C#Cc1ccc(CNc2ccc3oc(COC)nc3c2)cc1 787778971 YGAVPSHLVANSCU-UHFFFAOYSA-N 292.338 3.568 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 785079832 HSJGKAWNSQZVSN-SNVBAGLBSA-N 265.740 3.884 30 20 CHED CC(C)(C#N)CCCOC(=O)CCc1cc(F)ccc1F 783117278 RTTVYFNUWVTJCN-UHFFFAOYSA-N 295.329 3.771 30 20 CHED C=CC1(OC(=O)c2nc(-c3ccco3)sc2C)CC1 893365342 LLSUBKICNNNKIP-UHFFFAOYSA-N 275.329 3.587 30 20 CHED C#CCC1(C(=O)N[C@H](C)C[C@@H](C)CC)CCCCC1 788226616 XWTLGELJNWKAMM-LSDHHAIUSA-N 263.425 3.901 30 20 CHED Brc1cccc(C=NNC2CCCCC2)c1 786040421 MUNMKTSGQJOPHU-UHFFFAOYSA-N 281.197 3.705 30 20 CHED COc1cc(Cl)ccc1CNc1cccc(F)c1C#N 301184662 JHEZGGPTUWUVRX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cccc(F)c1C#N 1136791499 VEMOSYJRLPIQBL-CHWSQXEVSA-N 288.366 3.644 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Br)ccc1C 393817891 HHRVEBGWYCBGGS-LBPRGKRZSA-N 296.208 3.842 30 20 CHED CC(C)N(C)c1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1F 799721850 YKJCUSKIPNIZMD-OLZOCXBDSA-N 275.371 3.774 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(O)c2)c(Cl)c1 797109470 FQSJZZZEZMJTRJ-SOFGYWHQSA-N 288.730 3.950 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNc1nccnc1Cl 797403066 YEXMEVRIETVHAZ-ZJUUUORDSA-N 266.776 3.744 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccccc1C#N 799499459 WGGVIXZJIIGECY-VOTSOKGWSA-N 269.325 3.524 30 20 CHED Oc1ccccc1/C=N/Cc1c(F)cccc1N1CCCC1 794682157 TWDQCQFANJYOGY-UDWIEESQSA-N 298.361 3.751 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1coc(C(C)C)n1 799478703 NOEVFBSPSXAXBK-UHFFFAOYSA-N 295.346 3.577 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc3occc3c2)C1 597175593 BRYRXNJZZBJVAG-ZDUSSCGKSA-N 254.333 3.558 30 20 CHED FCC[C@H]1CCCC1=NNCCCOc1ccccc1 794909836 RYWRWCXCZIOJMW-CQSZACIVSA-N 278.371 3.561 30 20 CHED COCCN(C)N=C(C)c1ccc2c(c1)Cc1ccccc1-2 794974800 PZKMIYYZCJHKPT-UHFFFAOYSA-N 294.398 3.560 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2cc(C#N)c(F)cc2F)C1 1219883388 FWIJKQNSIFCVLP-KOLCDFICSA-N 293.317 3.537 30 20 CHED COCCCON=C1CCC(C)(C)c2ccccc21 795048694 QCSBIXXDVQYMOB-UHFFFAOYSA-N 261.365 3.515 30 20 CHED N#Cc1ccc(COc2cc(F)ccc2F)c(F)c1 71167765 RIUXHBSNYCBJTN-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C#CCN(CC)Cc1csc(C2CCCCC2)n1 749159792 LLCKJZNYMNQLKA-UHFFFAOYSA-N 262.422 3.646 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccccc1CC#N 1141533698 SXYCERJGPLSGEX-ZBFHGGJFSA-N 284.403 3.699 30 20 CHED CC1(C)C(C(=O)Nc2ccc(Cl)cc2C#N)C1(C)C 695713195 KTKXXALWBSSGCD-UHFFFAOYSA-N 276.767 3.832 30 20 CHED COc1cc(Cl)ccc1COc1cccc(F)c1C#N 1307320131 TYVHBGOJMZFCMZ-UHFFFAOYSA-N 291.709 3.938 30 20 CHED Cc1ccccc1NC(=O)Nc1ccc(OCC#N)cc1 1318532002 XJBJCPBBCJUXRS-UHFFFAOYSA-N 281.315 3.541 30 20 CHED C/C(=C/C(=O)O[C@H](C#N)C1CCCCC1)c1ccco1 1327128933 UOEZSGPYGGEEEH-KUGGDMIFSA-N 273.332 3.699 30 20 CHED C[C@@H](CC(=O)N(c1ccccc1C#N)C1CCC1)C1CC1 1334263496 YROXOYSEZSJTPL-ZDUSSCGKSA-N 282.387 3.880 30 20 CHED C=C(C)CCC(=O)Nc1cnn(CCC(C)C)c1CC 1336450027 KTUBUWQBOLPKQE-UHFFFAOYSA-N 277.412 3.786 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CC#Cc1ccccc1 1252968465 XXBJSIQOSHQCKL-WBVHZDCISA-N 283.415 3.759 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccn1C(C)C 1347522144 NOXROODVEWXZQX-CQSZACIVSA-N 260.381 3.640 30 20 CHED Cc1cnc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c(C)c1 1343394992 RECIXQLRDKAMPN-LBPRGKRZSA-N 297.383 3.522 30 20 CHED Cc1ccc(NC(=O)N2CC(C)(C#N)C2)c(Cl)c1Cl 1345354461 LAYOZDCRZACBIO-UHFFFAOYSA-N 298.173 3.679 30 20 CHED C[C@H](CCc1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1350451650 VSMRCENGWLDDDA-CYBMUJFWSA-N 296.345 3.905 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c(C2CC2)n1 1352454788 FTGDLKPQTVTTNT-UHFFFAOYSA-N 295.317 3.531 30 20 CHED C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N(C)CCC 1356200337 PBJSDWOQPRWRMM-CYBMUJFWSA-N 294.443 3.577 30 20 CHED N#Cc1sccc1C(=O)Nc1cccc(-c2ncco2)c1 1520708977 JPOFNJFEQGLAJN-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1nc(Nc2ccc(-c3ccon3)cc2)ccc1C#N 1458635536 YGYKBPDFAHZNMK-UHFFFAOYSA-N 276.299 3.660 30 20 CHED CCCN(CCC(C)(C)C#N)[C@H]1C[C@H](OCC)C1(C)C 1459541032 YSLUSXQFIZKNLQ-GJZGRUSLSA-N 280.456 3.842 30 20 CHED CCCCCCCCSc1cc(-c2nn[nH]n2)ccn1 1604176559 SGYDESCCRSOULI-UHFFFAOYSA-N 291.424 3.714 30 20 CHED CC[C@H](NC(=O)Nc1sccc1C#N)c1ccccc1 1466993839 GHHSRKKVJUKGEA-ZDUSSCGKSA-N 285.372 3.893 30 20 CHED C=C(Cl)CN[C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1 1460869228 HSWIZYNGQCRIHU-CQSZACIVSA-N 295.810 3.720 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(F)cc1 1536550001 MCKZHLNXQRCRTF-QGZVFWFLSA-N 294.329 3.505 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 1602869296 CJRRQQSMMAUVCJ-GJZGRUSLSA-N 295.423 3.520 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(C#N)c1 1460832020 HFQXSKVXUBUTRC-HUUCEWRRSA-N 270.376 3.503 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)c1cc2ccccc2o1 1617776749 UDSYSYFOSBIYCZ-GXTWGEPZSA-N 284.359 3.687 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 1533139356 KIEASBUBFZPBHI-GJZGRUSLSA-N 298.386 3.916 30 20 CHED CCCC(CCC)Sc1cc(C#N)nc(CC)n1 1472672397 NXFJHADNJVTNCQ-UHFFFAOYSA-N 263.410 3.972 30 20 CHED COc1ccc(CNc2cc(F)cc(Cl)c2)cc1C#N 226647677 FNUIBYFAKVQIKF-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)CCN(c1nc(C#N)c(Cl)s1)C1CC1 1472652965 HLUNXYMBNIJNRE-UHFFFAOYSA-N 269.801 3.683 30 20 CHED C[C@@H]1CN(C(=O)c2ccccc2CC#N)c2ccccc21 1630429709 OAICZUFXYWSFBS-CYBMUJFWSA-N 276.339 3.517 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C)nc1 122224296 DQPZXDIUUVRPMA-UHFFFAOYSA-N 252.361 3.578 30 20 CHED Cc1cc(N2CCC[C@@H]2CCc2ccccc2)ncc1C#N 1654997780 DKPOVGJRJZECGI-GOSISDBHSA-N 291.398 3.863 30 20 CHED Cc1cc(NC(=O)c2scc(C)c2Cl)ncc1C#N 1586237702 XQDFYAOKXONKFF-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CC(C)(CNc1ncc(C#N)cc1F)c1ccccc1F 1655086307 DBYAMXCBEHOPMI-UHFFFAOYSA-N 287.313 3.621 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1ccc(C#N)cc1F 1588252581 NSVFATGFUCQFME-UHFFFAOYSA-N 296.345 3.671 30 20 CHED O=C(O)c1ccsc1C=NNc1ccccc1Cl 1776014966 UFSRZLXBASFTIL-UHFFFAOYSA-N 280.736 3.546 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc3c(c2)CCC=C3)C1 1596978152 LSNFARUFQRMAMI-GUYCJALGSA-N 281.355 3.885 30 20 CHED Cc1ccc([C@@H](C)CNC(=O)Nc2sccc2C#N)cc1 1672812287 FQIXXQSHPCDKJU-LBPRGKRZSA-N 299.399 3.853 30 20 CHED CC1(C)CCC/C(=C\c2c(F)ccc(C(=O)O)c2F)C1=O 1776550872 MSFPZQKCTDSNPY-CMDGGOBGSA-N 294.297 3.826 30 20 CHED CCCCCCCCCN(C)c1cc(C(=O)O)ccn1 1776785383 LJJRSUDRWHCLDG-UHFFFAOYSA-N 278.396 3.967 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)c(F)c1 1777433770 IQYNOKRUVWUZNS-HWKANZROSA-N 290.315 3.790 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccc(F)c(C(=O)O)c2)C1 1776062393 RWXQXDHISLBSHH-MNOVXSKESA-N 278.327 3.748 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)c(C#N)c1)c1ccccc1 150789371 XEVPHQWZXHVDLJ-ZDUSSCGKSA-N 289.338 3.562 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CCC#N)c1ccccc1 160625802 ZIWMVWMQVIIHPP-MRXNPFEDSA-N 285.391 3.639 30 20 CHED CC(C)(C#N)CCCNc1ccc2c(c1)C(=O)CCC2 154268094 PPHGWXLLQYQKIC-UHFFFAOYSA-N 270.376 3.947 30 20 CHED COc1ccccc1C[C@H](N[C@H]1CC[C@H](C#N)C1)C(C)C 274646666 SCOXWTUUXPIUDV-XIRDDKMYSA-N 286.419 3.544 30 20 CHED C=CCN(C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 154786523 SNUYVDNPHYCBCR-UHFFFAOYSA-N 296.414 3.895 30 20 CHED Cc1nc2ccc(NCc3cc(C#N)cs3)cc2o1 159015850 ASWRQTHRZOKXBY-UHFFFAOYSA-N 269.329 3.682 30 20 CHED COc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1[N+](=O)[O-] 317157199 JAFVIMFBFZHQCB-LLVKDONJSA-N 297.314 3.648 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCCCCC2)n1 145849260 HHFONIFARXQYON-UHFFFAOYSA-N 257.381 3.631 30 20 CHED C=CCCCCCCCN[C@H]1CCN2CCC[C@@H]2C1 810243828 VJVBAKGEYQPJDT-DLBZAZTESA-N 264.457 3.729 30 20 CHED C#CCN(Cc1csc(-c2cccs2)n1)CC1CC1 1320136317 XUWDYQFVUFBGLG-UHFFFAOYSA-N 288.441 3.717 30 20 CHED CCCC[C@H](CCC)Nc1cc(C#N)nc(CC)n1 308383723 SBLZUDRELRENJL-LBPRGKRZSA-N 260.385 3.681 30 20 CHED CC(C)[C@H]1CCCC[C@@H]1NCCc1cccc(C#N)c1 467451891 ZRLSVLMHZWYHHE-MSOLQXFVSA-N 270.420 3.905 30 20 CHED COc1cc(C#N)ccc1OC[C@@H]1CCCC(F)(F)C1 312133928 WJMIVISFIXTIDS-GFCCVEGCSA-N 281.302 3.771 30 20 CHED C=CCCCCNCc1cc2c(cc1SC)OCCO2 312821125 SULVMMUSGYCINX-UHFFFAOYSA-N 293.432 3.626 30 20 CHED N#CCN(Cc1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 80215464 GRKBVPVSNWQVKO-UHFFFAOYSA-N 293.754 3.516 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 88191343 VZIGEIZKCYOWFB-BXKDBHETSA-N 284.281 3.556 30 20 CHED CC(C)c1nc(COc2cc(F)cc(C#N)c2)cs1 336812189 QLAFHSOLTNGUSR-UHFFFAOYSA-N 276.336 3.856 30 20 CHED CC[C@H](COc1cc(F)cc(C#N)c1)CC(F)F 594897927 XOVUCOVGFYIZQY-VIFPVBQESA-N 257.255 3.758 30 20 CHED C[C@@H]1CSC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 381668010 PJNCAXPVMCDBHB-PRHODGIISA-N 286.322 3.740 30 20 CHED N#Cc1cc(Cl)ccc1N1CCCC(F)(F)CC1 599134128 PQABUPVZSRMDCM-UHFFFAOYSA-N 270.710 3.837 30 20 CHED C=CC[C@@H](CC)NC[C@H](O)c1cccc(C(F)(F)F)c1 393845825 DSFAZFDJIODXBZ-KGLIPLIRSA-N 287.325 3.683 30 20 CHED C[C@@H](CNc1ncc(C#N)cc1Cl)C(C)(C)C 734480151 KVTYDBNXRSWMPP-VIFPVBQESA-N 251.761 3.701 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC12CCCCC2 531656096 NTAJHUKHRMUBBG-AWEZNQCLSA-N 268.360 3.776 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 426894676 CZAXYPUDPGNCDN-GWCFXTLKSA-N 283.297 3.734 30 20 CHED C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1ccccc1F 50874679 HBRHPZUJJUPEII-CYBMUJFWSA-N 297.329 3.934 30 20 CHED C=CC1CCN(CCC(=O)Nc2ccccc2Cl)CC1 111259057 WNYFZLFAZDKSPJ-UHFFFAOYSA-N 292.810 3.567 30 20 CHED Cc1c([C@@H](C)NC(=O)N(C)C[C@H](C)C#N)oc2ccccc12 56903906 RBUYAVIJOZUTJH-DGCLKSJQSA-N 299.374 3.603 30 20 CHED CCCOc1ccccc1NC(=O)Nc1cccc(C#N)c1 51156080 DGACTBPDSINDKR-UHFFFAOYSA-N 295.342 3.991 30 20 CHED N#Cc1ccccc1CN(Cc1ccc(F)cc1)C1CC1 57621117 OSQZDRHZLQUGLK-UHFFFAOYSA-N 280.346 3.862 30 20 CHED O=C(/C=C/c1cccnc1)c1cccc(OC(F)(F)F)c1 108145073 CVYYXGNENPEXGH-VOTSOKGWSA-N 293.244 3.876 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)C2(c3cccc(Cl)c3)CC2)C1 178786154 OLRXWCLPDOSKNZ-FZMZJTMJSA-N 289.762 3.607 30 20 CHED CCN(CCOc1ccccc1C#N)Cc1ccccc1C 59931942 NUCZTUKLYIOAJW-UHFFFAOYSA-N 294.398 3.768 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1C 59456176 PCWPQYMMNFMJQG-CYBMUJFWSA-N 293.794 3.616 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1C 59269428 JGANUBVAXSOLME-FNORWQNLSA-N 280.323 3.928 30 20 CHED CCOc1ccccc1CNc1ccc(OCC#N)cc1 20126387 CUDCDWMFLNDCSN-UHFFFAOYSA-N 282.343 3.600 30 20 CHED CCOc1ccccc1[C@H](CC)NCCCCC#N 179744432 HBQKGLZMLFJVTB-HNNXBMFYSA-N 260.381 3.820 30 20 CHED C=CCCCC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 175686054 YOAXONBCAIZOSI-GOEBONIOSA-N 257.377 3.747 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CC1CCCC1 62904341 IVFRICHYVVTIQF-UHFFFAOYSA-N 282.387 3.653 30 20 CHED C=C(Br)CNC(=O)C[C@H](C)c1ccccc1C 116181547 BLDGVEXIVQCSAD-NSHDSACASA-N 296.208 3.513 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 301674636 BMUFWMVLHXBOSM-SIIHOXLZSA-N 278.330 3.695 30 20 CHED Cc1ccc(/C=C/C(=O)c2occc2C)cc1[N+](=O)[O-] 119011440 RFJYVGQLXWCCKU-AATRIKPKSA-N 271.272 3.701 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc(C#N)cn2)C1 301338352 DDWVUSDQUFKALT-GOEBONIOSA-N 277.371 3.644 30 20 CHED N#Cc1ccc(N[C@@H]2CCCN(c3ccccc3F)C2)cc1 301899504 YAMAILJEVHOXFX-MRXNPFEDSA-N 295.361 3.778 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(N(C)C)cc2)c1 111691044 NYXBIRPUQGDKRE-GHXNOFRVSA-N 265.356 3.957 30 20 CHED CCS[C@@H]1CCCCN(c2c(C#N)cccc2C#N)C1 302430293 LADAUAOANGHGCA-OAHLLOKOSA-N 285.416 3.542 30 20 CHED CCN(CC)/C(N)=N/Cc1ccc(Oc2ccccc2)cc1 303898604 REPTXSHNDAOQHW-UHFFFAOYSA-N 297.402 3.635 30 20 CHED Cc1c(C(=O)O[C@H]2CC[C@H](C#N)C2)oc2ccccc12 179986465 XKFOJPLTNHQPTM-RYUDHWBXSA-N 269.300 3.590 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1OC(F)F 177897646 JCRLXOISKHUHNE-UHFFFAOYSA-N 273.254 3.722 30 20 CHED C=CC[C@H](C(=O)NC(C1CC1)C1CC1)c1ccccc1 186382711 OCFAKBMNEOKDAC-INIZCTEOSA-N 269.388 3.651 30 20 CHED C=CCC1(C(=O)Nc2nc(CCC)cs2)CCC1 189914991 RTGWHIFNYXANCR-UHFFFAOYSA-N 264.394 3.781 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Br)nc1C 189118096 FZRGOOOKLXFZTP-CYBMUJFWSA-N 297.196 3.693 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C(C)C)no2)c1 70805909 PIINFPONLKSBPL-UHFFFAOYSA-N 286.331 3.615 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 185440914 GVXXIIBENYZZFI-UHFFFAOYSA-N 296.370 3.946 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)C1(c2ccccc2)CCCC1 410723567 GOYBGTQYMFEARS-VCBZYWHSSA-N 296.414 3.553 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(C)c1Br 410720331 JJMGHSPTULDUNF-UHFFFAOYSA-N 282.181 3.908 30 20 CHED N#Cc1ccc(NCc2cc(F)ccc2Cl)cc1 124017781 GSOYGRPWSXLNQL-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2c(F)cccc21 184574029 AGBZHPOJNTYFBH-LBPRGKRZSA-N 276.355 3.643 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@H](C)OC)cc1 188129921 MUKXDZRZNVDPSJ-STQMWFEESA-N 283.799 3.503 30 20 CHED Cc1ccc(SCc2ccc(F)c(C#N)c2)nc1 123730053 FQSRPBQTWNISNO-UHFFFAOYSA-N 258.321 3.693 30 20 CHED COc1ccccc1[C@H](C)CC(=O)Nc1ccccc1C#N 75465680 RNRQZVRETOVUIR-CYBMUJFWSA-N 294.354 3.699 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)C(=O)NCC2(C#N)CCC2)c1 419651192 SHRUCLLWQOEZLC-HNNXBMFYSA-N 299.418 3.700 30 20 CHED C[C@H](Cc1cccs1)Nc1nccc(C#N)c1Cl 235471764 SVQRSLDCCJQKOB-SECBINFHSA-N 277.780 3.711 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 180951072 FCFKYUHCJQWTNQ-WDEREUQCSA-N 285.334 3.912 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1CCCSCC#N 74991021 ZZUNEUHJDLXDSL-GDBMZVCRSA-N 274.433 3.511 30 20 CHED C=CCC[C@@H](NCc1cccc(COC)c1)C1CC1 120204360 SLTPOQBEZFZUQP-QGZVFWFLSA-N 259.393 3.667 30 20 CHED CSc1ccc(C(=O)/C=C/c2cccc3nccn23)cc1 180310741 FETVUZYAEGCRLR-JXMROGBWSA-N 294.379 3.952 30 20 CHED C#CCC(C)(C)C(=O)NCC1(Cc2ccccc2)CCC1 185834597 MRYIDTZAKVSVRZ-UHFFFAOYSA-N 283.415 3.565 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](CC)OC1CCCC1 182651882 FLMHXRPEWXHWCJ-UKRRQHHQSA-N 267.413 3.585 30 20 CHED C=C(C)CN(C)C(=O)Nc1sc(C)nc1CC(C)C 181798885 AAFIFFZDDXJTOV-UHFFFAOYSA-N 281.425 3.690 30 20 CHED C=C(C)CN(C)C(=O)c1ccnc(SC(C)(C)C)c1 182865692 ORLBJPUMHLPHSI-UHFFFAOYSA-N 278.421 3.620 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2CCO[C@H](c3ccccc3)C2)C1 185901414 LXSYMGSCFHCDBE-RANZSIQMSA-N 284.403 3.579 30 20 CHED Cc1csc(CN(C)[C@@H](C)c2cccc(C#N)c2)n1 187688846 UGAWFMBWXQXWIP-LBPRGKRZSA-N 271.389 3.516 30 20 CHED C=CCC[C@@H](C(=O)N(C)CC(F)(F)F)c1ccccc1 186663899 SLEXCYPIBPWKPP-CYBMUJFWSA-N 285.309 3.757 30 20 CHED CC(C)(C)c1cccc(NC(=O)C2(C#N)CCCC2)c1O 185834819 CBBRLYCYCTYPSN-UHFFFAOYSA-N 286.375 3.712 30 20 CHED CCCCCCC[S@](=O)Cc1noc(C(C)(C)C)n1 133326916 BLJVFFVKPCTIQX-LJQANCHMSA-N 286.441 3.586 30 20 CHED CCCC[C@@H](Nc1ccc(C(C)(C)C#N)cc1)C(=O)OC 135154839 PFGOXXSBLVULJZ-OAHLLOKOSA-N 288.391 3.631 30 20 CHED Cc1cccc([C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C)c1 501149895 IOOQTVZQMGEJFH-MRXNPFEDSA-N 295.386 3.712 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1cccc(F)c1C#N 186514936 CYDNHZXIYVYUSA-UHFFFAOYSA-N 296.345 3.668 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1ccccc1Br 506056548 NGXLTEJSUNQTTJ-RYUDHWBXSA-N 295.224 3.992 30 20 CHED C=C(C)CN(C)Cc1csc(CCc2ccccc2)n1 181314448 GXPUHMVYRCZZSM-UHFFFAOYSA-N 286.444 3.936 30 20 CHED Cc1cc([C@H](C)Nc2ncccc2C#N)c(C)s1 42373655 BSVLVMCGLKEIMC-JTQLQIEISA-N 257.362 3.805 30 20 CHED N#Cc1cccnc1Oc1ccccc1NC/C=C/Cl 131534864 BECZUNOSTCEFSA-XBXARRHUSA-N 285.734 3.910 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(Br)c1 454135813 MOHNSVAQYIPSTP-UHFFFAOYSA-N 283.169 3.537 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1cccc(C#N)c1 454207636 TVSOCFGNDRLBQN-NSHDSACASA-N 259.353 3.504 30 20 CHED OC1=Nc2ccc(/C(O)=N/[C@@H]3CC[C@@H](F)C3)cc2SC1 329741665 WCHGARSJOHJBOA-NXEZZACHSA-N 294.351 3.576 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc(Cl)s1 135156996 UAONYKXPQHVVGU-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1cccc(Cc2ccccc2)c1 413398490 HWEUCUDRIIXVFZ-GOSISDBHSA-N 292.382 3.555 30 20 CHED N#Cc1ccc(OCc2cccc(OC(F)F)c2)c(F)c1 134301347 AINBJWIZHCMKDC-UHFFFAOYSA-N 293.244 3.878 30 20 CHED CN(Cc1ccc(Br)cc1C#N)CC(C)(C)C 379870089 OWZIGYPJGPOMOL-UHFFFAOYSA-N 295.224 3.799 30 20 CHED Cc1cccc2c(CC(=O)O[C@H](C)C(C)(C)C#N)c[nH]c12 131478263 JNBHGXOGXHKOLS-GFCCVEGCSA-N 284.359 3.500 30 20 CHED CCn1ncc2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc21 193198583 CYCGPLBQHXVFQJ-OCCSQVGLSA-N 268.364 3.550 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(C#N)c(F)c1 192112708 YZODQWCMDLLBJY-LBPRGKRZSA-N 280.412 3.661 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)[C@H](C)c1ccccc1 80688034 PJIHPHMIHWOGRY-STQMWFEESA-N 251.333 3.557 30 20 CHED C[C@H](Nc1ncc2c(c1C#N)CCC2)c1ccc(F)c(F)c1 425204236 UAAJWICJPVFUTE-JTQLQIEISA-N 299.324 3.893 30 20 CHED C=CCCCC(=O)N1CCO[C@H](c2ccc(CC)cc2)C1 190885275 QYYHNSNAAJCWCF-KRWDZBQOSA-N 287.403 3.505 30 20 CHED C=C(C)CNCc1ccc(Br)cc1SC 380296560 CVAIWILJNQEYAD-UHFFFAOYSA-N 286.238 3.837 30 20 CHED CCN(CC)c1ccc(NCc2ccc(C#N)c(F)c2)cn1 421341097 KTRQXVLWLLKZDZ-UHFFFAOYSA-N 298.365 3.551 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCCc3c(Cl)cccc32)C1 424332264 SQPMBAGGKHETKL-OZVIIMIRSA-N 274.795 3.999 30 20 CHED C=CCn1c(S[C@@H](C)C(=O)CC)nc2ccccc21 80058093 UQWDBVYNCLBCMA-NSHDSACASA-N 274.389 3.682 30 20 CHED Cc1cc(N2CCC[C@H](c3ccccc3)C2)c(C#N)cn1 425266770 IWXTXEKNRALKGM-INIZCTEOSA-N 277.371 3.646 30 20 CHED Cc1ccc(CN2CCC[C@](C)(C#N)C2)c(Cl)c1 618541867 XFZWVTQMXRUYBJ-OAHLLOKOSA-N 262.784 3.774 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCCC[C@H]1c1ccco1 336217131 GESITGQVEVLOBR-HNNXBMFYSA-N 297.358 3.545 30 20 CHED N#CCc1cccc(NC(=O)N[C@@H]2CC23CCCCC3)c1 333156544 GNGCNJGEBLVYMY-OAHLLOKOSA-N 283.375 3.597 30 20 CHED C=CCOc1ccc(OCc2cccc(F)c2C#N)cc1 427516229 XJILBPPFTHFXGO-UHFFFAOYSA-N 283.302 3.841 30 20 CHED CC(C)CNC(=O)c1cccc(CSCCCC#N)c1 190933989 NCKLZXPGCICLAO-UHFFFAOYSA-N 290.432 3.609 30 20 CHED CCCCCCCCC(=O)O[C@H](C)c1noc(C)n1 191332398 NQMXLWSOZUPFEF-LLVKDONJSA-N 268.357 3.733 30 20 CHED CC(C)CSCCCNCc1ccc(C#N)c(F)c1 421343660 QJHSHKWNALHCJP-UHFFFAOYSA-N 280.412 3.566 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)Cc1ccccc1Cl 337743063 DXJCVABWKHSGCH-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CC(C)(C/N=C(/O)[C@H]1CCC(O)=N1)C1=CCCCC1 330024774 KAKQSGMIRBUYOX-GFCCVEGCSA-N 264.369 3.588 30 20 CHED Cc1cc(CN(C)Cc2cccc(F)c2C#N)ccc1F 428960504 IYXCCOBMONXIFE-UHFFFAOYSA-N 286.325 3.777 30 20 CHED Cc1cccc([N+](=O)[O-])c1/C(O)=N/C[C@@H]1CC[C@H](C)C1 331088892 UEMLUXUVUDPNPI-CMPLNLGQSA-N 276.336 3.644 30 20 CHED C[C@H](/N=C(/O)Nc1ccccc1C(C)(C)C)[C@H]1CCOC1 330995216 WLDGGQRZJJBLLQ-STQMWFEESA-N 290.407 3.735 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2ccc(C#N)c(F)c2)CC1(C)C 332466005 QMYVRCHAOPEZRQ-AWEZNQCLSA-N 289.354 3.596 30 20 CHED C[C@H](N[C@H]1CCC[C@@H]1OC(F)F)c1ccc(C#N)cc1F 337551500 OTTUECPAUPVANX-HERUPUMHSA-N 298.308 3.508 30 20 CHED Cc1coc(C)c1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 335075594 GWXVEWAWBKOKGS-GFCCVEGCSA-N 282.343 3.601 30 20 CHED CC[C@H](C)CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 420880564 QBIBTSHVDWXNNS-XIRDDKMYSA-N 299.418 3.514 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H]1C 335584595 ZZOLTGPNYBUGGN-GHMZBOCLSA-N 291.782 3.668 30 20 CHED C=C[C@H](C)NCc1cc(C)c(OCc2ccccn2)c(C)c1 237532069 NSWMFGMYQHVXEL-INIZCTEOSA-N 296.414 3.942 30 20 CHED C[C@@H](C#N)C(=O)N1CC=C(c2cccc3ccccc23)CC1 334961470 GVWGUXWVVWMREE-AWEZNQCLSA-N 290.366 3.615 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1nc2ccccc2n1C(C)C 424677384 IVFXOLZQPJAKKN-UHFFFAOYSA-N 299.418 3.836 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@H](C#N)C2CCCCC2)c1 330577918 NVAJGSFDZOMIGN-WMLDXEAASA-N 284.403 3.687 30 20 CHED COc1cc(CN(C)Cc2cccc(C)c2)ccc1C#N 234928674 KDHTWGHORWIRAR-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(F)F)cc1 335814669 UERNEYTWUKATTF-CYBMUJFWSA-N 265.303 3.805 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCc2sc(Cl)cc21 336597238 HMTMLUHDTCGOBX-JTQLQIEISA-N 284.812 3.606 30 20 CHED Cc1nc(-c2nc([C@H]3CCC[C@H](C)C3)no2)ccc1C#N 331691891 SVMGCXVNSBAIPQ-JQWIXIFHSA-N 282.347 3.605 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(O)cc2Cl)no1 436875992 ZOMPGJHNWUVRFF-AWEZNQCLSA-N 278.739 3.949 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1cccc(C#N)c1C 431945920 LNVPYWKNQXQMLC-UHFFFAOYSA-N 293.370 3.839 30 20 CHED C[C@H](NCc1cccc(C#N)c1F)c1cccs1 230417866 DTCUXECBGSOTPX-JTQLQIEISA-N 260.337 3.610 30 20 CHED C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H]1C 93480840 AYARQDHPUXFRTM-HOTGVXAUSA-N 286.419 3.847 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(O[C@@H](C)C#N)cc1 93100836 MXPDNVZCRYMZPP-INIZCTEOSA-N 299.418 3.739 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@H]1c1ccccc1 436307790 LLAIKLDQXLUVHA-HCXYKTFWSA-N 285.431 3.894 30 20 CHED N#Cc1ccc(SCc2ccccn2)c(Cl)c1 340810276 CRIFGOOCBISKCN-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C=CCC(F)(F)c1nc(-c2c[nH]c3ccccc23)no1 520379116 BCQNDLCASHIHJK-UHFFFAOYSA-N 275.258 3.886 30 20 CHED C=CCC1(C(=O)N[C@@H]2COc3cccc(Cl)c32)CCC1 346256912 ZNTBXSHIYGDNRL-GFCCVEGCSA-N 291.778 3.636 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccc(C)o1 341073824 CBMWRECQUHTZKE-UHFFFAOYSA-N 273.307 3.556 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)Cc1ccc(Cl)cc1 346244562 RHRDOVAWVWGCSH-ZDUSSCGKSA-N 295.810 3.670 30 20 CHED Cc1cc(NCCCCN(C)c2ccccc2)cc(C#N)n1 341842975 QZLYTVQPJVUAGP-UHFFFAOYSA-N 294.402 3.590 30 20 CHED COc1ccc(OCCCSCC2(C#N)CC2)cc1 344492325 ZBUQOQDGCZBWHF-UHFFFAOYSA-N 277.389 3.501 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 349345802 WYBCWDYTXZBEBL-UAGQMJEPSA-N 254.377 3.976 30 20 CHED CCc1noc(C)c1CSc1ccccc1C#N 342091495 AZSZNIQGOUTKFW-UHFFFAOYSA-N 258.346 3.709 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccc(F)cc1F 255277528 FKTOFBYRNBCPQS-RJRFIUFISA-N 296.219 3.845 30 20 CHED Cc1cc(C)c(/C=C\CNCCCCC#N)c(C)c1 601106193 VFHWWYOFOMXDEW-FPLPWBNLSA-N 256.393 3.909 30 20 CHED Cc1cc([C@@H](C#N)C(=O)c2ccc(Cl)c(C)c2)nc(C)n1 346169917 BBPYGLLPMOWWIL-CYBMUJFWSA-N 299.761 3.545 30 20 CHED Cn1nccc1/C=C\C(=O)c1cc(Cl)sc1Cl 255033423 CYUVCGJRBDLEEA-IHWYPQMZSA-N 287.171 3.685 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc(OCC(C)C)cc1 255679097 LLUUOXHVAFZJTH-YFHOEESVSA-N 298.386 3.834 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc3c(c2)COC3)c1 255427037 UZYCRAVIVUIFNX-UHFFFAOYSA-N 283.327 3.572 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)Cc2ccc(F)cc21 255767973 GFACWEYQSOQWEY-RIYZIHGNSA-N 280.298 3.583 30 20 CHED C=CC[C@@H](C)NCc1cc(OC)cc(C(F)(F)F)c1 527661683 MRDBXIZAXVUHFF-SNVBAGLBSA-N 273.298 3.768 30 20 CHED C=C(C)COCCNCc1cccc2c(OC)cccc12 449194707 XWIFJFIRXMIUNA-UHFFFAOYSA-N 285.387 3.531 30 20 CHED C=CC[C@H]1N(C(=O)NC[C@@H](C)SC)CCCC1(C)C 445226287 UCTOEABSTPSKAJ-CHWSQXEVSA-N 284.469 3.514 30 20 CHED CC(C)c1ccccc1OCCNC[C@@H](C)CCC#N 602551425 DDVJOIWAQKDLBP-HNNXBMFYSA-N 274.408 3.718 30 20 CHED Cc1ccccc1[C@@H]1CCN(C[C@H](C)CCC#N)C1 602465524 ROIQMWFURMJBST-GDBMZVCRSA-N 256.393 3.724 30 20 CHED C[C@@H](CN(C)c1ccc(C#N)cc1F)c1ccccc1 608974439 WSXNHZZZGABOCA-ZDUSSCGKSA-N 268.335 3.937 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3O[C@@H](C)C2)CCC1 355909570 UVCNDVGXJBAKFL-AWEZNQCLSA-N 285.387 3.543 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)c1nnc2ccccn12 449067452 LMOIIWMJIGCZEA-UONOGXRCSA-N 272.396 3.515 30 20 CHED C[C@H](CCC#N)CN[C@@H](c1ccccc1)c1cccnc1 602533801 DKOSDQAADLKSBD-QAPCUYQASA-N 279.387 3.700 30 20 CHED C=C(CC)CNc1ccc(C(=O)N[C@@H](C)CC)cc1C 537993137 IMEXLGFNGUVXBQ-AWEZNQCLSA-N 274.408 3.901 30 20 CHED C=CCN(C(=O)[C@H](C)CSc1ccccc1)C1CC1 357508595 AIOCDIQPNZKPOI-CYBMUJFWSA-N 275.417 3.592 30 20 CHED CCO[C@H]1C[C@@H](N(C)CCC(C)(C)C#N)C12CCCCC2 535664118 XNHWABSUJUXHRM-CVEARBPZSA-N 292.467 3.986 30 20 CHED CCc1ccc(CN(CCC#N)CC(CC)CC)o1 353419237 BOSLHIXSKLBAOF-UHFFFAOYSA-N 262.397 3.994 30 20 CHED C=C[C@@H](CC(=O)N1C[C@@H]2CCCC[C@@H]21)c1ccccc1 616725266 PKDCJTIPOGLHNW-XIRDDKMYSA-N 269.388 3.747 30 20 CHED N#Cc1cc(Oc2ccc(NCc3ccco3)cc2)ccn1 353235862 CHOOFCJGBPCYNM-UHFFFAOYSA-N 291.310 3.951 30 20 CHED CC(C)c1ccc(CNC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612113563 VZEHYAWCARVYAU-SFHVURJKSA-N 299.418 3.645 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(C)n(C)c2C)cc1 263839948 RQEZTPORVMJYKX-UHFFFAOYSA-N 295.386 3.511 30 20 CHED C[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)c1cccc(C#N)c1 537307715 QJBPGGHHZGFRBZ-JVPBZIDWSA-N 276.383 3.840 30 20 CHED Cc1cccc([C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccn2)c1 442833894 VNICBPAKBIVPDU-IEZWGBDMSA-N 291.398 3.761 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H]2CC=CCC2)CCCC1(C)C 445141155 UDKCRJOJPPJCAJ-CABCVRRESA-N 276.424 3.871 30 20 CHED C=CCCCC[C@@H](C)Nc1cnn(CC(F)F)c1 449060220 RVGPMMXMQNYSJS-LLVKDONJSA-N 257.328 3.695 30 20 CHED N#Cc1cccc(CCNC(=O)CCCC2CCCC2)c1 619609111 UTINDBGNRNLFDA-UHFFFAOYSA-N 284.403 3.577 30 20 CHED C=CCC1(NC(=O)CCSc2ccccn2)CCCC1 619108483 XPRXEYCPUJZCTK-UHFFFAOYSA-N 290.432 3.569 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)cc(C)c1O 443063877 NYKUVHUAKXWLKC-AWEZNQCLSA-N 267.756 3.895 30 20 CHED CCN(Cc1cccs1)C(=O)NCC(C)(C)CCC#N 358701188 YWWNLRYLCXPJRB-UHFFFAOYSA-N 293.436 3.610 30 20 CHED CC(C)C[C@H](CCO)CNc1cccc(Cl)c1C#N 450364179 LZJNHBYXYIHDSN-LBPRGKRZSA-N 280.799 3.668 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 617784254 PUPHGRRERBKIOC-MAUKXSAKSA-N 299.414 3.505 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC(F)(F)F)cc1 454172877 NUMNINWXHISVSJ-UHFFFAOYSA-N 288.269 3.673 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 610280475 RADOQYBFHPHUMM-IRXDYDNUSA-N 293.326 3.609 30 20 CHED C[C@H](NC(=O)c1cccc(CC#N)c1)[C@@H]1CCC[C@@H](C)C1 457003322 NMOKSPJNTYEFSU-IJEWVQPXSA-N 284.403 3.697 30 20 CHED CC(=O)c1ccc(C#N)c(N2Cc3ccc(C)cc3C2)c1 360275387 QYSYNMZVYMDDTB-UHFFFAOYSA-N 276.339 3.590 30 20 CHED CC1CCC(N(C(=O)NCC(C)(C)CC#N)C2CC2)CC1 459251569 BBMGRYVYSCDBPY-UHFFFAOYSA-N 291.439 3.679 30 20 CHED C=C(CC)CN(C)[C@@H]1CCCN(c2ccccc2)C1 536888635 CWKMNJPXQHHJHC-QGZVFWFLSA-N 258.409 3.553 30 20 CHED Cc1cc(CN2CC[C@H]2c2cccc(F)c2)ccc1C#N 618594340 GZKDAEXDXVCUOE-SFHVURJKSA-N 280.346 3.953 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCCc1ccccc1 533039821 ORPYYRMEOPSIGQ-OAHLLOKOSA-N 291.460 3.775 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cncc3ccccc23)C1 613255937 YBRMTPVZIDIVMT-GXTWGEPZSA-N 251.333 3.729 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CC)C1CCCC1 459095764 ILPUBQFWUQPRES-CQSZACIVSA-N 252.402 3.563 30 20 CHED C=C(C)CCNC(=O)c1ccc(F)cc1C(F)(F)F 452718043 NWRQVOAXPDWTDB-UHFFFAOYSA-N 275.245 3.541 30 20 CHED CC(C)(c1cccc(F)c1)c1noc(C2(C#N)CCCC2)n1 278036620 SRVWSYKXYXUZTG-UHFFFAOYSA-N 299.349 3.870 30 20 CHED C=CCC1(C(=O)NCC[C@H]2CCCCO2)CCCCC1 450521824 YLRBGFOLTPPFCN-OAHLLOKOSA-N 279.424 3.588 30 20 CHED CN(C/C=C\c1ccc(F)cc1F)Cc1cccc(C#N)c1 544609685 QGEUUTKJHHDJMA-UTCJRWHESA-N 298.336 3.982 30 20 CHED C=CCC[C@H](C(=O)N(C)CCC=C)c1ccccc1 276382204 LPSXISCABYDYCD-INIZCTEOSA-N 257.377 3.771 30 20 CHED CCCOc1ccc(CN2CCC(CC#N)CC2)cc1 542851763 ZQOZKJCMDKBGBJ-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](COc3ccccc3)C2)CCC1 276804053 LBTVJSKZFPHBPR-MRXNPFEDSA-N 299.414 3.660 30 20 CHED C=CCSCCNC(=O)c1ccc(Cl)c(Cl)c1 540959093 GRXKYFNQZILKPP-UHFFFAOYSA-N 290.215 3.642 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC[C@@H](CC(C)(C)C)C1)OCC 457021285 NQOPCOKAGJIJQD-LSDHHAIUSA-N 281.440 3.642 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)c1ccc(CC)cc1 452773322 IKQHDBRNYUSYQL-CYBMUJFWSA-N 259.393 3.681 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(CCC)on2)CCCC1(C)C 451221075 YNGVQPBGKLGMFI-OAHLLOKOSA-N 290.407 3.834 30 20 CHED C=C[C@H](C)NC(=O)N[C@H]1CCSc2ccc(Cl)cc21 362368425 AZFIDWAFYPIEFX-CABZTGNLSA-N 296.823 3.751 30 20 CHED N#Cc1ccccc1OCc1nc(CC2CCCCC2)no1 546370193 YYCADDHUOYOSOG-UHFFFAOYSA-N 297.358 3.643 30 20 CHED C=CCCN(C)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 276485675 ZRZOXEJLHBBJMW-UHFFFAOYSA-N 297.320 3.772 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc2cccnc2c1)OCC 279511444 QKCBOQJJWKBGPI-MRXNPFEDSA-N 285.343 3.512 30 20 CHED Cc1nc(N2CC[C@H](CC3CC3)C2)c(Cl)cc1C#N 549654707 CZBSVCHHOWIRKE-GFCCVEGCSA-N 275.783 3.542 30 20 CHED C#CC[C@@H](N[C@H](C)c1cscn1)c1ccccc1 271549191 RWIYIPVWEYDNSL-TZMCWYRMSA-N 256.374 3.558 30 20 CHED C=C(CC)CNC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 455515926 CCRWEHBTJBMQCU-ZFWWWQNUSA-N 290.382 3.679 30 20 CHED C=C(C)CN1CCC(NCCc2cccc(Cl)c2)CC1 459409144 XRQITDVHQHFCOK-UHFFFAOYSA-N 292.854 3.513 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2ccsc2C1 275554019 GOMOZRICTXWFHN-GFCCVEGCSA-N 268.385 3.739 30 20 CHED CC#CCNC(=O)N[C@@H](c1cccs1)C(CC)CC 460119661 UVDHNLLTAQWVSG-CQSZACIVSA-N 278.421 3.548 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)ccc1Cl 464166109 XIUZKOIASIFAKJ-OAHLLOKOSA-N 278.783 3.707 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](CC)CC(F)(F)F 544853595 FYXXMVIZSCAWNN-QWRGUYRKSA-N 280.334 3.761 30 20 CHED Cc1ccccc1[C@H](C)c1noc(C2(C#N)CCCC2)n1 545126636 JPTIXWSWQHMXSF-ZDUSSCGKSA-N 281.359 3.865 30 20 CHED C=C(C)COc1c(C(=O)OC)ccc2ccccc12 540041205 KPEDVHYYTCISPC-UHFFFAOYSA-N 256.301 3.581 30 20 CHED C[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCC1(F)F 289941521 VJMUTULSVSHAFV-JTQLQIEISA-N 284.737 3.689 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC=CC[C@H]1C 284803066 YWVUIWNRNRALES-CRAIPNDOSA-N 294.398 3.675 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1cc(Cl)cc(Cl)c1 464707087 GLUPDSWVGJZXLJ-LLVKDONJSA-N 285.174 3.661 30 20 CHED C=CCC[C@H](NCc1ccc(N(C)C)nc1)c1ccco1 285583559 IUGXJWODSVIVJJ-HNNXBMFYSA-N 285.391 3.538 30 20 CHED C=CCCCCN[C@@H](CC)c1ccc(C(=O)OC)cc1 559842415 HARWEQFBULFIIK-INIZCTEOSA-N 275.392 3.870 30 20 CHED C#CCCCCC(=O)Nc1cc(-c2ccnn2C)ccc1C 281022765 GWNZQNBTRATBNU-UHFFFAOYSA-N 295.386 3.528 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2/C=C/c2ccccc2)nc1 371600771 CSPGYAOIGQLIPE-SYJIQKIWSA-N 275.355 3.635 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(C(C)C)c(Cl)c1 466993993 WERZJZPRBMFUOT-JTQLQIEISA-N 251.757 3.768 30 20 CHED CN(C(=O)c1ccc2c(c1)CCC=C2)c1cccc(C#N)c1 551772667 DBDCJWRVPLPYQD-UHFFFAOYSA-N 288.350 3.794 30 20 CHED Cc1nsc(NC[C@@H](c2cccnc2)C(C)C)c1C#N 287968185 UAFZHHHJMIPRLV-CQSZACIVSA-N 286.404 3.570 30 20 CHED N#Cc1cnccc1/C=C/c1cnc(-c2ccccc2)nc1 556779478 VJGHURZMMGNCKK-VOTSOKGWSA-N 284.322 3.581 30 20 CHED C=C(C)[C@H](N[C@@H](C)[C@H]1CCCOC1)c1ccc(F)c(F)c1 474927662 KUBKTGIZFUWHLI-JDFRZJQESA-N 295.373 3.987 30 20 CHED C=CCCCCNC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 474090739 SSRXIDOTBXINPX-UONOGXRCSA-N 266.429 3.951 30 20 CHED C#Cc1ccc(CNC[C@H](C)Cc2cccs2)cc1 809623976 FYYARPHZHMIAJH-CQSZACIVSA-N 269.413 3.698 30 20 CHED Cc1csc(NC(=O)c2oc(C(C)C)nc2C)c1C#N 297879533 UQBVNFKBEPYLON-UHFFFAOYSA-N 289.360 3.600 30 20 CHED C=CCCCCNC(=O)Nc1cccc(OCCF)c1 473713834 YMDZNSKJKLJGIZ-UHFFFAOYSA-N 280.343 3.513 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCOc1ccccc1CC 552219821 AILNPQGNHXRVPZ-MRXNPFEDSA-N 287.403 3.585 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1cccc(C2CC2)c1 295689471 ZJRGAAVAQHVYSZ-AWEZNQCLSA-N 287.403 3.724 30 20 CHED N#C[C@@H](C(=O)c1ccsc1)c1nc(C2CC2)cs1 647374152 XEFRMOQDRGXUBD-JTQLQIEISA-N 274.370 3.572 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cccc(-c2ccccc2)c1 806761650 IAOPLKRTMCRPOE-MRXNPFEDSA-N 278.355 3.887 30 20 CHED CCC1(CC)CN(C(=O)Nc2cc(C#N)ccc2C)C1 296457437 NTZASPPLGWSPNU-UHFFFAOYSA-N 271.364 3.521 30 20 CHED CC[C@H](CC#N)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 701309241 QJQKPHRDWFORDZ-DHCBQETCSA-N 297.185 3.815 30 20 CHED CC(C)(C#N)CCCCn1c(=O)sc2c(F)cccc21 567860529 PFEKPBRIXRDXON-UHFFFAOYSA-N 292.379 3.922 30 20 CHED CC[C@@H]1CCCC1=NNc1nccnc1C1CCC1 807992198 AUDMSLMYDMZDII-LLVKDONJSA-N 258.369 3.722 30 20 CHED C=CCCCCCCNC(=O)N1[C@H]2C=CC[C@H]1CC2 807571687 NDIPZXLVENQBCY-GJZGRUSLSA-N 262.397 3.625 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(C(C)=O)c1 295052033 UPZUFOQLRWYPQN-UHFFFAOYSA-N 283.371 3.713 30 20 CHED C[C@H](CCC#N)Sc1nc(C2CC2)nn1-c1ccccc1 298246893 JNICNXRADAHBGG-GFCCVEGCSA-N 298.415 3.929 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C[C@H](CC)C(C)C 804836345 HUIWBQCKUSIXRY-KRWDZBQOSA-N 271.404 3.721 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2Cc3ccccc32)CCCC1(C)C 470297358 LZUOMAXVILRMOL-SJORKVTESA-N 283.415 3.920 30 20 CHED C[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)c2ccccc21 299508545 FQQRXIGYXYDGTC-CQSZACIVSA-N 290.366 3.641 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 296536634 SAJHBPIWSWXETD-GDBMZVCRSA-N 297.402 3.909 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cccnc1Cl 806176188 JAMWIYNLGXBKEA-NSHDSACASA-N 265.788 3.716 30 20 CHED N#Cc1sc(N2CCc3cc(F)ccc32)nc1Cl 804695549 NTDDOYDCTDZUIY-UHFFFAOYSA-N 279.727 3.501 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1COc2ccccc2[C@H]1O 808730605 IAFFEVYNKVOXKU-YXJHDRRASA-N 289.419 3.596 30 20 CHED CCCCCCCC[S@@](=O)Cc1ncnn1C(C)(C)C 800800519 RDBDVHWJVFPUBK-HXUWFJFHSA-N 299.484 3.642 30 20 CHED CC#CCCNC(=O)N(CCCC)[C@H](C)c1ccccc1 483418191 FZWFYDUBTQDLMY-MRXNPFEDSA-N 286.419 3.973 30 20 CHED Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1O 818357018 UPOCANDTIICXFT-NTZNESFSSA-N 278.783 3.697 30 20 CHED C=CCCCCCN[C@H]1CCCC[C@H]1n1cccn1 488084325 GGNARDNCCOYWQR-JKSUJKDBSA-N 261.413 3.703 30 20 CHED C#CCON=C(C)c1cc2c(ccc3ccccc32)o1 812233706 ZWOJBKYGSRSKBJ-UHFFFAOYSA-N 263.296 3.960 30 20 CHED FC(F)(F)c1ccc(NN=C2CCCc3occc32)nc1 814710922 AWFLCSVRKWYQAF-UHFFFAOYSA-N 295.264 3.846 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCCC[C@@H]1C 811665643 RPCGOEYTROVUJI-KBPBESRZSA-N 260.381 3.610 30 20 CHED Cc1cc(C)cc(CN(C)c2nccc(C#N)c2Cl)c1 566814128 VNLUBHRMPLAAJU-UHFFFAOYSA-N 285.778 3.860 30 20 CHED CCCC(=NN[C@H](C)c1ccncc1)c1ccc(OC)cc1 819819423 ZHIDTJLECZYJEC-CQSZACIVSA-N 297.402 3.945 30 20 CHED C=CCCCCOC(=O)c1cccc2cnccc12 811012082 WVBQZRZDWKGHAE-UHFFFAOYSA-N 255.317 3.748 30 20 CHED Clc1ccc(NN=Cc2nccs2)cc1Cl 814796962 YCWABDHVTIXARG-UHFFFAOYSA-N 272.160 3.896 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)c1cccc(C)c1C 812891347 LYYRPAPQJADBBE-UHFFFAOYSA-N 291.394 3.880 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C2CCC2)C2CCC2)cc1 814177831 QGSIOHKTCJDMAL-CQSZACIVSA-N 284.403 3.884 30 20 CHED Cn1c(NN=CCC2CCCCC2)nnc1-c1ccccc1 814806341 XIBKZYSNPAAIAU-UHFFFAOYSA-N 297.406 3.850 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 573881664 XSALKFWRWGTODA-RVKKMQEKSA-N 295.467 3.888 30 20 CHED CSCC[C@](C)(C#N)NC(=O)C[C@H]1CCCC(C)(C)C1 571201051 LPBHYYFTRZPQMJ-CZUORRHYSA-N 296.480 3.744 30 20 CHED C=CCCCC(=O)NC[C@@H](CC)Oc1ccccc1C 488657912 ICFOAJFDAIAKOX-OAHLLOKOSA-N 275.392 3.625 30 20 CHED Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C#N)cc1F 815577771 YKMIBMIAPSNGOL-GFCCVEGCSA-N 286.325 3.996 30 20 CHED COc1cccc(O)c1/C=N\CCOc1ccc(C)cc1C 812398432 QVPDRLPFYIWZNR-UNOMPAQXSA-N 299.370 3.516 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCCCCC1 811666719 IRFLWGSVZODKCD-AWEZNQCLSA-N 260.381 3.754 30 20 CHED C=CCn1c(C)cc(C(=O)Cn2cc(C3CCC3)cn2)c1C 655692609 RJKUWRAIEPWPKJ-UHFFFAOYSA-N 297.402 3.638 30 20 CHED C=CCCCC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 482222584 GHOLUBXZIVZAOB-VXGBXAGGSA-N 277.330 3.828 30 20 CHED Fc1ccc(F)c(CNN=C2CC[C@H]2C2CCC2)c1 814809365 YTTFXKPCSJVYTN-ZDUSSCGKSA-N 264.319 3.621 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(C2CC2)c1 817345917 MIOHEGWTOKTIBY-JXMROGBWSA-N 280.371 3.810 30 20 CHED Cl/C=C\CON=Cc1cc2ccccc2nc1Cl 811672157 RPNUTXDHGVXXJV-ZCTXJBCCSA-N 281.142 3.991 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cscn1 728468485 KVGRUGUWYCYLPV-GFCCVEGCSA-N 268.426 3.870 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 579786563 SYKWIYXNQVUORU-PBHICJAKSA-N 299.414 3.510 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 577399608 NNJRFEONEZDRHV-LLVKDONJSA-N 289.766 3.682 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1 570707920 UCFFVDZILVUFGB-RTXFEEFZSA-N 288.778 3.781 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1cccc(-c2ccccc2)c1 495498919 AATMRUDCLNMHCI-CQSZACIVSA-N 293.370 3.977 30 20 CHED C=CCC[C@H](NC(=O)CC1(COC)CC1)c1ccccc1 583145440 FNWWOXOIXPBVJS-INIZCTEOSA-N 287.403 3.627 30 20 CHED C=CCN(CCc1ccc(OC)cc1)CCc1ccco1 491281396 APSCUFIRJGJFAZ-UHFFFAOYSA-N 285.387 3.561 30 20 CHED COc1cc(C#N)ccc1CSc1ccc(C#N)cc1F 499301137 OLECNNBLGOFXCS-UHFFFAOYSA-N 298.342 3.870 30 20 CHED CC[C@@H](NC[C@H](O)c1cccc(C)c1)c1cccc(C#N)c1 902880200 FVAQSTBDCSQCFO-MOPGFXCFSA-N 294.398 3.641 30 20 CHED C=CCCC[C@H](N)c1nc([C@@H]2CCC[C@@H](C)C2)no1 904576162 GLVFJLNJHGKISD-UPJWGTAASA-N 263.385 3.719 30 20 CHED CC1(C)Cc2cccc(NC(=O)c3ccsc3C#N)c2O1 904831822 RQCWOMVKYZYBGY-UHFFFAOYSA-N 298.367 3.586 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCC1CCCCC1 499484542 JXWZHBFYTFZNRI-INIZCTEOSA-N 264.413 3.791 30 20 CHED CC(C)(C#N)CC(=O)NCCCCCOC1CCCCC1 497770196 USTZBPXQOTZCRH-UHFFFAOYSA-N 294.439 3.562 30 20 CHED N#Cc1ccsc1NC(=O)/C=C/c1ccc2[nH]ccc2c1 492258207 GZFGDKAOZHLLJD-DUXPYHPUSA-N 293.351 3.753 30 20 CHED C=CC1CCN(C(=O)c2cccc(C(C)C)c2)CC1 668568558 DFWJOMMZIHEPFR-UHFFFAOYSA-N 257.377 3.848 30 20 CHED Cc1ccc(F)c(/C=C2\COc3c(F)cccc3C2=O)c1 734980918 KIOZDVCRTSSLFU-XYOKQWHBSA-N 286.277 3.932 30 20 CHED Cc1nc(Cl)cc(NN=C2CC3(CCCC3)C2)n1 901196450 QFNMQJSUAKDQIC-UHFFFAOYSA-N 264.760 3.561 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1cccc(-c2ccccc2)c1 495498918 AATMRUDCLNMHCI-AWEZNQCLSA-N 293.370 3.977 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1nccc(C)c1C#N 491598382 GAQZXCMTUHTJSJ-SDNWHVSQSA-N 277.371 3.801 30 20 CHED N#CC1(CCCCOC(=O)c2scnc2Cl)CCC1 908921229 GJSDVCVPJTUBDT-UHFFFAOYSA-N 298.795 3.817 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@H](C)CC[C@H]2C)o1 834947694 IBYAIGKYTUSXPX-GHMZBOCLSA-N 274.368 3.894 30 20 CHED CCC[C@@H](C=NNc1ccccc1C(F)(F)F)OC 834916327 ZNNBNILAQSAVRF-JTQLQIEISA-N 274.286 3.918 30 20 CHED CCCCCCCCC(=O)N1C[C@@H](C)OC[C@@H]1CC 830030813 SBCKUDSDYDADGD-CABCVRRESA-N 269.429 3.763 30 20 CHED C[C@@]1(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CC=CCC1 835076340 HQQMJCFJRWUHKV-SJKOYZFVSA-N 280.327 3.750 30 20 CHED CC(=NNc1ccc(C(=O)O)c(Cl)c1)C1CCC1 833386800 WSAIHGSHACQLDT-UHFFFAOYSA-N 266.728 3.626 30 20 CHED CCn1cncc1/C=C/C(=O)c1cc(C)c(F)c(C)c1 901479664 HUXCWVJERIYNRW-AATRIKPKSA-N 272.323 3.555 30 20 CHED CS[C@@H]1CCCC(=NNc2nncc3ccccc23)C1 901128939 RLQPEFCKGHXDHK-CYBMUJFWSA-N 286.404 3.703 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)/C=C/c1ccccc1C#N 736052912 MLPJWTBRWDDGQG-ATWMFIQVSA-N 284.403 3.902 30 20 CHED N#CC1(CCCCOC(=O)Cc2ccsc2)CCC1 908705942 HHLDDVHZMVEDRD-UHFFFAOYSA-N 277.389 3.698 30 20 CHED C=CCC[C@H](NCC(C)(C)C1CCOCC1)C1CC1 903243509 FHZJWMGQBSJSLC-INIZCTEOSA-N 265.441 3.774 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(C)cc2SC)CC1 831860054 JFMJBIWBPKYZLG-UHFFFAOYSA-N 288.416 3.594 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCc2ccsc2)c1 837141744 MAGYABDQYDTWBO-UHFFFAOYSA-N 284.384 3.890 30 20 CHED COc1nccc(/C=C2/C(=O)c3ccccc3[C@@H]2C(C)C)n1 834438693 YXJULDZWPFWUHF-KMPOOHAWSA-N 294.354 3.505 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCc3ccccc32)cc1 916245202 YXRBKQDUDPOQRI-UHFFFAOYSA-N 281.315 3.747 30 20 CHED C=C(Cl)CNC(=O)c1oc2ccccc2c1CSC 736245405 TXHHWOGTRWHBQB-UHFFFAOYSA-N 295.791 3.778 30 20 CHED Cc1cccc(NN=Cc2ccc(N(C)C)cc2)c1 916255838 DDUJNVWNQAQEHU-UHFFFAOYSA-N 253.349 3.507 30 20 CHED COCCON=Cc1ccc(-c2cccs2)cc1F 748789411 GYTVESJRGAIZNI-UHFFFAOYSA-N 279.336 3.551 30 20 CHED COc1cccc2cc(C=NNc3ccc(C#N)cc3)oc12 915962374 PWXDICNNFSVLLX-UHFFFAOYSA-N 291.310 3.759 30 20 CHED CN(CCC(C)(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 592684137 KYADYWXXMKNXLI-UHFFFAOYSA-N 286.419 3.996 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1C 916244973 JSFKDFDPJUOHLB-UHFFFAOYSA-N 269.304 3.739 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cc(C#N)cs1 748440070 FRZDRHBLHLXCIQ-HYXAFXHYSA-N 271.316 3.963 30 20 CHED C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1Cl 912352602 NZBFSEPBRPTESI-IUODEOHRSA-N 294.826 3.543 30 20 CHED C=C(C)CCNC(=S)Nc1ccccc1Cl 840793649 WAJHXDJSHLQWEU-UHFFFAOYSA-N 254.786 3.593 30 20 CHED Cc1ccc(-c2cc(C(=O)NO)c3ccccc3n2)c(C)c1 916666203 UXQAVMLBASXCTL-UHFFFAOYSA-N 292.338 3.638 30 20 CHED CCC1(C)CCN(c2nc(C#N)c(Cl)s2)CC1 596104944 GGPQVHHBCQCDTH-UHFFFAOYSA-N 269.801 3.685 30 20 CHED C=C(Cl)CN1C[C@@H](C)C[C@H]1c1ccccc1F 743855914 BPTXIOXGIBDFQK-HZMBPMFUSA-N 253.748 3.961 30 20 CHED C[C@H]1CCc2c(F)cccc2C1=NOCc1cccnc1 746577512 SBCWIFSYBYRFPW-LBPRGKRZSA-N 284.334 3.724 30 20 CHED C=C[C@H](C)ON=C(C)[C@@H](C)c1ccc(OC)c(OC)c1 844624983 KMSNNCKFPGPNCK-NWDGAFQWSA-N 277.364 3.774 30 20 CHED N#CC[C@H]1CCCN(CCCCCOc2ccccc2)C1 597177482 MWJQMJHZJFYFQA-QGZVFWFLSA-N 286.419 3.861 30 20 CHED CCOc1cccc(/C=N\[C@H](C)c2ccc(OC)cc2)c1O 745624965 QOFAZDXBGVXOKZ-CQLSMYGBSA-N 299.370 3.980 30 20 CHED Cc1cc(N2CCC[C@@H](CC#N)C2)c2cccc(F)c2n1 596327776 CBIAGYBZNNJMAQ-ZDUSSCGKSA-N 283.350 3.812 30 20 CHED C=CCCN[C@@H](CC)CSc1ccccc1[N+](=O)[O-] 595060525 UURCKRFOLJUXAS-LBPRGKRZSA-N 280.393 3.631 30 20 CHED Cc1cc(C)c(C=NNc2ccccc2[N+](=O)[O-])cc1C 916249548 XUBDWIKSKUMFJG-UHFFFAOYSA-N 283.331 3.966 30 20 CHED N#Cc1ccc(C(=O)OCCC2CCCCC2)cc1 744248529 NDELEDCTFIJHBO-UHFFFAOYSA-N 257.333 3.685 30 20 CHED CC1(C)C(c2noc(CNc3ccc(C#N)cc3)n2)C1(C)C 599195425 FQIISKBMRCVLJL-UHFFFAOYSA-N 296.374 3.703 30 20 CHED C=CCOC(=O)CCCOc1cccc2ccccc12 915584329 ZROFWYYUKMRJAM-UHFFFAOYSA-N 270.328 3.728 30 20 CHED Clc1cccnc1NN=Cc1c[nH]c2ccccc12 917549004 GDCXPQZSOXDUGS-UHFFFAOYSA-N 270.723 3.662 30 20 CHED COc1ccc(C=NNc2ccc(C#N)cc2)cc1Cl 741460399 PBZNLWFETSKFGI-UHFFFAOYSA-N 285.734 3.666 30 20 CHED CCCC[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)C(C)C 598693237 AFEDQUDGVQBIGI-ZBFHGGJFSA-N 264.413 3.601 30 20 CHED C=CC[C@H](C(=O)OCc1conc1CC)c1ccccc1 848742968 OZRHRPIWJBANEW-HNNXBMFYSA-N 285.343 3.640 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)O[C@@H]1CCC[C@H](C#N)C1 842819746 YTDDPWQWXMINNH-IGQOVBAYSA-N 263.381 3.684 30 20 CHED C[Si](C)(C)C#CCCNC(=O)c1ccc(C(F)F)cc1 912332266 LYUWYFFBQFZCRW-UHFFFAOYSA-N 295.405 3.625 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cccc(OCC)c1)C(C)C 745286992 YVZVDPVRCQTQDE-CQSZACIVSA-N 290.407 3.752 30 20 CHED CC(C)(C)c1cc(NC(=O)CCCF)c(C#N)s1 598824467 CNHXXBYZPJOTBX-UHFFFAOYSA-N 268.357 3.605 30 20 CHED COC[C@H](CC(C)(C)C)Nc1ccccc1O[C@H](C)C#N 845951822 ROTARKCFFGVZLT-KGLIPLIRSA-N 290.407 3.841 30 20 CHED N#C[C@H](SC1CCC2(CC1)OCCO2)C1CCCCC1 849940370 MYSSPEYLQDKGRU-HNNXBMFYSA-N 295.448 3.878 30 20 CHED CC[C@H](C#N)C(=O)N1CCCCC[C@H]1c1ccc(C)o1 593482418 YTSNIXPEURBNEE-KGLIPLIRSA-N 274.364 3.582 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1cc(C)ccc1O 745611783 IUMFASNRODJKFN-UHFFFAOYSA-N 298.346 3.520 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 840596356 NOYAGMWWCXBHTA-PBHICJAKSA-N 271.360 3.663 30 20 CHED C=CCCCCN1C(=O)O[C@@]2(CCCc3ccccc32)C1=O 842054547 NPXAAOJZSYDWJX-GOSISDBHSA-N 299.370 3.553 30 20 CHED N#Cc1ccsc1C(=O)NCC1CCCCCCC1 748053331 GQUQEQFOLSEQHF-UHFFFAOYSA-N 276.405 3.710 30 20 CHED CCCCCCCCCNC(=O)[C@@H](O)c1ccccc1 746117002 QPMTUEDILWYUGJ-INIZCTEOSA-N 277.408 3.587 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)Cc1ccccn1 926591234 KDAVUBCBADCORM-APWZRJJASA-N 280.415 3.790 30 20 CHED C=CCOc1ccc(OCc2cc(C)ccn2)cc1 682883518 MKTVMJWAFNGHPR-UHFFFAOYSA-N 255.317 3.534 30 20 CHED CCC[C@@H](C)C(CC)=NNc1nc(O)c2ccccc2n1 757589098 IXQRWMMPBMWVNQ-LLVKDONJSA-N 286.379 3.950 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)Cc1ccccc1F 851210705 XNTHXIHKEGRKFO-CHWSQXEVSA-N 291.366 3.876 30 20 CHED Cc1ccc(O)c([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 756626333 NUCCADPYEZWILB-ZIAGYGMSSA-N 280.371 3.984 30 20 CHED C#C[C@@](C)(CC)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 854697385 AYLHVYUOQXIFFN-ABAIWWIYSA-N 297.320 3.727 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(C(C)C)nn1-c1ccccc1 685674803 PDNGJSBKCBMTBY-ZDUSSCGKSA-N 298.390 3.692 30 20 CHED CCCCCCCNC(=O)N1Cc2ccc(OC)cc2C1 858114821 UTUVAYMGUMFLCN-UHFFFAOYSA-N 290.407 3.691 30 20 CHED CCSc1ccccc1COC(=O)CCCC#N 922744101 XBFISHOLWRFIMK-UHFFFAOYSA-N 263.362 3.536 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1 755293963 XREQLJOQSYRNNN-BBRMVZONSA-N 272.392 3.868 30 20 CHED Oc1ccccc1/C=N/[C@H]1COc2c(Cl)cccc21 757525135 CZFWTOYBMHUNLK-TVYFDWKESA-N 273.719 3.598 30 20 CHED CCCn1c(C=NNc2cc(C)ccn2)nc2ccccc21 755904398 XVVGXSMPOFZMAB-UHFFFAOYSA-N 293.374 3.596 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)c1ccc(C)s1)OCC 755630236 ABRCTKWRHPSYSN-STQMWFEESA-N 281.421 3.605 30 20 CHED CCC(=CC(=O)N[C@@](C)(C#N)C1CCCCC1)CC 759217594 DLLSEHZBVVCIJD-INIZCTEOSA-N 262.397 3.712 30 20 CHED CCCCCCCNC(=O)N(C)[C@H](C)c1ccccn1 858111548 KQIHAVDXIOPBTH-CQSZACIVSA-N 277.412 3.754 30 20 CHED N#Cc1ccccc1C=NNc1ccc(Cl)cc1 755462214 QDQKUVOGIWKDBO-UHFFFAOYSA-N 255.708 3.658 30 20 CHED C=C(Cl)CSCC(=O)Nc1cccc(SC)c1 853782749 LPYOCOVFTBYDSI-UHFFFAOYSA-N 287.837 3.833 30 20 CHED FC(F)(F)c1ccccc1ON=Cc1cscn1 754713060 YOSIAKPBQUMIQC-UHFFFAOYSA-N 272.251 3.575 30 20 CHED C=CCN(Cc1ccc(CSC(F)F)o1)C1CC1 757925994 ZWVPEGVDJPAGBW-UHFFFAOYSA-N 273.348 3.886 30 20 CHED Cn1ncc(C2CC2)c1C=NNc1c(F)cccc1Cl 853334381 BVPYSHAJNDBZCV-UHFFFAOYSA-N 292.745 3.536 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(F)cc1F 750938100 BOLCZMTVXLVHEZ-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C=C(Br)CN(CC)[C@@H](C)c1ccc(C#N)cc1 54340150 BBHVBWLGMKPXHW-LBPRGKRZSA-N 293.208 3.850 30 20 CHED C(=NOCc1ccc2ncccc2c1)c1cccs1 769815165 RKUCXLXICDNOGE-UHFFFAOYSA-N 268.341 3.847 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1cncc(C)c1 767378390 GEUKNKGTQMFPTM-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C[C@H]1CC(=NNc2cc(C#N)cc(Cl)n2)CC[C@H]1C 767386592 SUNKWLUVGBMRNT-ZJUUUORDSA-N 276.771 3.831 30 20 CHED Fc1ccccc1CCNN=C[C@@H]1CCOc2ccccc21 764723167 OEHLVFINJKHCKY-HNNXBMFYSA-N 298.361 3.510 30 20 CHED CCCCCCCC(=O)NCCOc1ncccc1Cl 760711188 NWTVDTUTVZTGCU-UHFFFAOYSA-N 298.814 3.591 30 20 CHED O=[N+]([O-])c1cc(NN=C2CCCc3ccccc32)ccc1F 769822916 OXWCCZUOLFTLJK-UHFFFAOYSA-N 299.305 3.886 30 20 CHED CCC[C@@H](OCC)C(=O)[C@H](C#N)c1ccc2ccccc2n1 860452521 ZLYDEGAKDRJGLL-RHSMWYFYSA-N 296.370 3.616 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1Cl 766445896 ASWILXPZFSGHPV-CYBMUJFWSA-N 297.742 3.605 30 20 CHED C=C(CC)CN(CCC)Cc1nc(O)c2sccc2n1 1116461908 BPVXFDHKJODLGY-UHFFFAOYSA-N 291.420 3.575 30 20 CHED CCCCCCCOC(=O)c1ccc(NC(C)=O)c(F)c1 768987309 JDWBIZJIHDIBEY-UHFFFAOYSA-N 295.354 3.911 30 20 CHED CCCCc1ccc(C(=O)OCC2(C#N)CCC2)cc1 768095917 FUXQSKGXTNYEGE-UHFFFAOYSA-N 271.360 3.880 30 20 CHED CCCn1c(C=NOC2CCCC2)nc2ccccc21 774596426 DRUIHUNVCCWXFA-UHFFFAOYSA-N 271.364 3.739 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)CCc2ccc(F)cc21 776193915 WJSRCVYZBZTPTK-XNTDXEJSSA-N 294.325 3.973 30 20 CHED N#CCc1ccc(COC(=O)CC2CCCCC2)cc1 776115447 WONCYEZYCCRNGV-UHFFFAOYSA-N 271.360 3.766 30 20 CHED C=C(CC)CN(Cc1ccccc1)C[C@H](O)c1ccco1 773424341 JSZPKIWCAQRXRS-KRWDZBQOSA-N 285.387 3.781 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1scnc1C 776785600 XGJJOHSAALQIHA-UHFFFAOYSA-N 282.372 3.754 30 20 CHED CCOC(=O)[C@@H]1CCC(=NOC2CCCCC2)C[C@@H]1C 777458801 LWQUABWHECOXFI-SWLSCSKDSA-N 281.396 3.691 30 20 CHED C#CCCCCCC(=O)N(CC)c1ccccc1C 779776238 GHQZHDXOVYZYEB-UHFFFAOYSA-N 257.377 3.932 30 20 CHED C=CCSc1ccccc1C(=O)NOC1CCCC1 777175545 UUOYNGLUNQEBOD-UHFFFAOYSA-N 277.389 3.569 30 20 CHED C=C1CCC(C(=O)N[C@@](C)(CC)C(F)(F)F)CC1 889254348 UWGXNYJVAJVTDG-LBPRGKRZSA-N 263.303 3.580 30 20 CHED N#CCCCCCC(=O)OCc1nsc2ccccc12 884509591 KIWYPNUZRRHFAC-UHFFFAOYSA-N 288.372 3.814 30 20 CHED CC(=NNc1nc2ccccc2cc1C)[C@H]1CCCOC1 779785692 OREJXOYHTQPJRD-HNNXBMFYSA-N 283.375 3.758 30 20 CHED C=CCCC[C@H](NC1CCOCC1)c1ccccc1 883174405 KFGVBBZRWXVPLR-KRWDZBQOSA-N 259.393 3.853 30 20 CHED Fc1ccc2[nH]cc(C=NNc3cc(Cl)ccn3)c2c1 777907609 XJNPLFBODPSGFH-UHFFFAOYSA-N 288.713 3.801 30 20 CHED COc1cccc(NN=C(C)c2cccc(C)c2C)n1 779819398 OWCZOMPSIZNWIL-UHFFFAOYSA-N 269.348 3.543 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1nc2cc(C#N)ccc2n1CC 780019051 KKZNZUUVUKXIDG-VAWYXSNFSA-N 296.374 3.613 30 20 CHED COc1ccc2nc(/C=C\C(=O)c3cccnc3)sc2c1 788731933 KXESOCBQBCEACI-SREVYHEPSA-N 296.351 3.596 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccccc2C#N)CC1 785614420 TXRRHUDZVMAENH-GQPKTWTLSA-N 282.387 3.656 30 20 CHED Cc1noc(C2CC2)c1C(=O)O[C@H](C)c1ccc(C#N)cc1 784059141 FSFRMRWEEOVKRY-LLVKDONJSA-N 296.326 3.650 30 20 CHED CCOCCON=C(C)c1cc2ccccc2s1 780240989 JULAYPLFAAPFAV-UHFFFAOYSA-N 263.362 3.678 30 20 CHED C#CCCCCCC(=O)OCc1ccc(C#N)cc1Cl 784242810 BSBKWOXFOKNYIA-UHFFFAOYSA-N 289.762 3.839 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc(-c2ccccc2)s1 1122496180 DHCIJRQOSNOMTR-NSHDSACASA-N 271.341 3.874 30 20 CHED C#CCCCCCC(=O)N1CC=C(c2cccc(OC)c2)C1 780740455 PVOSQBFULGIOEX-UHFFFAOYSA-N 297.398 3.505 30 20 CHED C=CCCCCCOC(=O)c1csc(C2CC2)n1 783300233 AEERBJNONIOPMX-UHFFFAOYSA-N 265.378 3.924 30 20 CHED C=C(C)CNc1cc(Cl)ccc1O[C@@H](C)COC 786775074 IINVBNRYFVGANW-NSHDSACASA-N 269.772 3.742 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(C#N)cc2Cl)cc1 788360506 KQBMJUUBIIUEFN-VURMDHGXSA-N 292.725 3.979 30 20 CHED CCS[C@H]1CCC[C@H](Nc2ccc(C#N)cc2CO)C1 892813010 PMYKTPIUSXBBBE-GJZGRUSLSA-N 290.432 3.527 30 20 CHED C=C1CCC(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)CC1 891130659 QWTSAQGVQLGIRX-MRXNPFEDSA-N 284.403 3.738 30 20 CHED N#Cc1cc(Cc2ccccc2)c(Cl)nc1Cl 98181161 DQMDAXBVCMUVRY-UHFFFAOYSA-N 263.127 3.851 30 20 CHED C=CCN1CCC(NC(=O)[C@@](C)(CC)CCCCC)CC1 780614749 GZAHQBYUOKTUAD-SFHVURJKSA-N 294.483 3.750 30 20 CHED C=CCCCCCOC(=O)c1c(F)cccc1OC 783875588 DKCZJZRARUDDFM-UHFFFAOYSA-N 266.312 3.738 30 20 CHED C[C@H](OC(=O)[C@H]1Cc2ccc(F)cc21)c1ccc(C#N)cc1 796065636 OEGPKXYQRLDQFJ-GTNSWQLSSA-N 295.313 3.641 30 20 CHED Cc1cc(C#N)cc(NCc2c(C)nn(C(C)C)c2C)c1 894783998 IEGIZGNSVNSSRK-UHFFFAOYSA-N 282.391 3.873 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)ccc2C)cc1C#N 799294174 WNYBIYXUMJGSHU-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1ccc(-c2nc(Cc3cccc(F)c3)no2)cc1C#N 799760441 JJZHLKSFJVWDBQ-UHFFFAOYSA-N 293.301 3.647 30 20 CHED CC1=C(C)C[C@@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 584352049 DSQQBAVMDKQYOG-LSDHHAIUSA-N 274.408 3.664 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](F)CC1CCCCC1 798550590 BUUSMNLQJPDNET-ZIAGYGMSSA-N 255.377 3.766 30 20 CHED Cc1cc(F)ccc1NN=CCc1ccc([N+](=O)[O-])cc1 793034947 RTFXNDXBPJZXDG-UHFFFAOYSA-N 287.294 3.683 30 20 CHED CCc1cccc(NC(=O)Nc2cc(F)cc(C#N)c2)c1 1202885569 NBPCHZBRGKZUMU-UHFFFAOYSA-N 283.306 3.904 30 20 CHED N#Cc1c(Cl)nsc1N(CC1CCC1)CC1CC1 795292958 JOOVCNQWYNAULR-UHFFFAOYSA-N 281.812 3.685 30 20 CHED CC[C@H](C)CON=C(C)c1nc2ccccc2n1CC 793158433 GAJDWOVGKYCBPP-LBPRGKRZSA-N 273.380 3.843 30 20 CHED CCN(CCC#N)C(=O)C[C@@H](C)CCC=C(C)C 567943513 NUMGTULIUIAQJQ-AWEZNQCLSA-N 250.386 3.521 30 20 CHED C[C@H](c1nccc2ccccc12)N1CCC(C#N)CC1 1204461510 SOABVINFZKDUCS-CYBMUJFWSA-N 265.360 3.531 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@H]1c1ccccc1Cl 593412609 LOPZYSBBTKEMCW-FZMZJTMJSA-N 276.767 3.553 30 20 CHED CC(=O)Nc1cccc(C(C)=NNCC2(C)CCCC2)c1 793083752 GIFBZGUWXFEENV-UHFFFAOYSA-N 287.407 3.539 30 20 CHED C#CCC1(C(=O)N2CCSC(C)(C)CC2)CCCCC1 790143419 DIAVMTGYVBWCHV-UHFFFAOYSA-N 293.476 3.704 30 20 CHED N#Cc1sc(NCC2CCC(F)(F)CC2)nc1Cl 693376941 AFSJSKOQKSGXRZ-UHFFFAOYSA-N 291.754 3.906 30 20 CHED COc1cccc(Cl)c1CN[C@@H](C)CC(C)(C)C#N 695835940 JYFDZVWVJDEQTD-NSHDSACASA-N 280.799 3.767 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1c1ncc(C#N)cc1F 1307133813 YBHCFBGBDYKGJU-AAEUAGOBSA-N 275.371 3.743 30 20 CHED CCCOC(=O)[C@@H](C)Sc1ccc(Cl)cc1C#N 1307310019 GCWHTEACOVSQNV-SECBINFHSA-N 283.780 3.645 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(C#N)cc1 1309984236 AHVHUGHIFUMXBY-IUODEOHRSA-N 285.391 3.895 30 20 CHED N#Cc1ccc(S[C@H]2CCc3c(F)cccc32)nc1 1318903191 RLVRITJZMPTXHO-AWEZNQCLSA-N 270.332 3.872 30 20 CHED N#Cc1nc(NCCc2cccc(Cl)c2)sc1Cl 1161974865 KGKWFQSGJRNDTC-UHFFFAOYSA-N 298.198 3.976 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@H]2CCCC[C@@H]2C1 1318531688 PSQCXZAXBCTHES-NXEZZACHSA-N 281.812 3.685 30 20 CHED N#Cc1cc(=Nc2cccc(-c3ccccc3)c2)cc[nH]1 1173911656 MGWVYPLWAWPPIE-UHFFFAOYSA-N 271.323 3.786 30 20 CHED CC1(C)CCC(CNC(=O)CC#Cc2ccccc2)CC1 1320273057 UDHALMICDGCRMG-UHFFFAOYSA-N 283.415 3.761 30 20 CHED CC(C)(C)ON=Cc1cn(CCC#N)c2ccccc12 1324558363 MOAFRSITPKRRPP-UHFFFAOYSA-N 269.348 3.704 30 20 CHED CC(C)(C)ON=C1CCN(C2CCCCC2)CC1 1320324919 CYKMHUNNTXPKIY-UHFFFAOYSA-N 252.402 3.586 30 20 CHED Cc1ccc(CN(C(=O)c2cccc(C#N)c2C)C2CC2)o1 1321223459 NZPJHKGOAMVDNX-UHFFFAOYSA-N 294.354 3.573 30 20 CHED CC(C)C[C@@H]1CCCC(=NNCC2CCOCC2)C1 1256376879 QHYGFHSPJOAMBS-HNNXBMFYSA-N 266.429 3.595 30 20 CHED C=C(C)CCC(=O)Oc1ccc(C(=O)CC)cc1F 1338768221 ZEEBJZJOIUQAPK-UHFFFAOYSA-N 264.296 3.680 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1oc2c(F)cccc2c1C 1337716203 NTFZOPWALGOQHY-NSHDSACASA-N 288.322 3.645 30 20 CHED CCc1ccc(-c2nnc(-c3cc(C#N)cs3)o2)cc1 1345684845 VHYVGJWFAZWUDG-UHFFFAOYSA-N 281.340 3.899 30 20 CHED CCCCc1ccc(C(=O)[C@H](C#N)c2nccn2CC)cc1 1263616700 FEZRIBFAFWHQTD-INIZCTEOSA-N 295.386 3.736 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cc1F)c1ccccc1F 1267064809 IIBSMHHXFQMSOR-JTQLQIEISA-N 287.265 3.754 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)c2csc(C#N)c2)c(C)c1 1261253827 PZEIBZHVTMOOFP-ZDUSSCGKSA-N 298.411 3.598 30 20 CHED CCC1CCC(CNC(=O)c2ccc(C#N)cc2F)CC1 1355597509 DORVQHYVNFGYIQ-UHFFFAOYSA-N 288.366 3.644 30 20 CHED C[C@H](CN(C)c1ncc(C#N)cc1F)C1CCCCC1 1458527557 AQZJAMKYPVXYNN-GFCCVEGCSA-N 275.371 3.745 30 20 CHED Cc1ccc2[nH]c(C(=O)O[C@@H](C#N)C(C)C)c(Cl)c2c1 1524688263 CIIXXDXWVKUGGM-LBPRGKRZSA-N 290.750 3.835 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)ccn1 1527466274 DJBROVKWOVGUII-LSDHHAIUSA-N 299.418 3.536 30 20 CHED COC(=O)c1ccc(CNc2cc(C)cc(C#N)c2)cc1C 1461582419 RBUIWWXTTPMKJF-UHFFFAOYSA-N 294.354 3.574 30 20 CHED CCCc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)s1 1528489257 HCGYITQZXRJNGO-NEPJUHHUSA-N 277.389 3.940 30 20 CHED CCCCCCCCC(=O)NCc1ccccc1C(=O)O 1605267502 XNMSGDKOOJCPTL-UHFFFAOYSA-N 291.391 3.752 30 20 CHED N#C[C@H]1CC[C@H](Sc2nccn2-c2cccc(F)c2)C1 1472947779 PIHIBCDXDFCRQY-FZMZJTMJSA-N 287.363 3.796 30 20 CHED CCc1ccccc1NN=C(C)c1cc(C(=O)O)cs1 1610071211 UAZQPGMBBIINFF-UHFFFAOYSA-N 288.372 3.845 30 20 CHED CCCC[C@@H](CCC)NC(=O)Nc1cc(C)c(C#N)cn1 1626716994 PWEZZFGOAMWKJH-CQSZACIVSA-N 288.395 3.742 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(F)c(Br)c1 119317376 LGRRFZFQVJXKOX-BDAKNGLRSA-N 272.161 3.813 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1cc(C#N)ccc1F 1625460930 WHTJPQBFGUZBQR-MEDUHNTESA-N 289.354 3.788 30 20 CHED CC[C@H](C#N)NC(=O)c1sc2ccccc2c1Cl 120120857 ZDVQFHLHUVOWLC-MRVPVSSYSA-N 278.764 3.587 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1ccc(F)c(C#N)c1 229592714 DUWSVZNZHYWRET-CZUORRHYSA-N 260.356 3.756 30 20 CHED N#CCc1ccccc1C(=O)Nc1cscc1Cl 1637248929 PMTIQIKAMLBNBN-UHFFFAOYSA-N 276.748 3.720 30 20 CHED CCc1cccc(N(C)Cc2ccc(C#N)cc2OC)c1 1646053839 QDBQGPODDMQDPW-UHFFFAOYSA-N 280.371 3.766 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C#N)C1 1644351074 YIBZWPCEMAECGQ-DLBZAZTESA-N 290.451 3.991 30 20 CHED Cc1cc(N2CCC[C@](C)(c3ccccc3)C2)ncc1C#N 1651511068 AVHFULYLBAJCBY-IBGZPJMESA-N 291.398 3.820 30 20 CHED C[C@@H]1CCN(C)c2ccccc2N1Cc1ccc(C#N)s1 1657574283 NCMLSPQOSXJECT-CYBMUJFWSA-N 297.427 3.855 30 20 CHED Cc1cc(C#N)ccc1CN1CCCc2cccc(F)c21 1652861501 FEZXCHYDSVYNJF-UHFFFAOYSA-N 280.346 3.959 30 20 CHED C=CC[C@H](Sc1cccc(Br)c1)C(=O)O 1588758998 NFPYSTOVXVCKBY-JTQLQIEISA-N 287.178 3.571 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)c1ccc(O)c(C)c1 1589016499 QMNBEPRYGXMCLJ-UHFFFAOYSA-N 298.342 3.543 30 20 CHED C=C(C)c1cccc(NC(=O)c2coc(/C=C/C(=O)O)c2)c1 1588444876 WXGPYXGFUPENPD-VOTSOKGWSA-N 297.310 3.663 30 20 CHED CC[C@H](C)Oc1cccc(NCc2cc(C#N)cs2)n1 1657856315 YHQNOJJJVZXAPC-NSHDSACASA-N 287.388 3.804 30 20 CHED C=CC(C)(C)CCCNCc1ccc(C(=O)O)c(F)c1 1588673133 LDDLBNODVOUCAL-UHFFFAOYSA-N 279.355 3.606 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 1595801333 SPPWWOIRZNGXIS-SUMWQHHRSA-N 296.345 3.581 30 20 CHED CC1(C)CCC[C@H](C=NNc2ccc(C(=O)O)cc2)C1 1776013371 UPFFAORPTUOSMH-LBPRGKRZSA-N 274.364 3.999 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(-c2ccccn2)c1C 164141784 TXDUZTFZKJRHHX-ZDUSSCGKSA-N 280.327 3.516 30 20 CHED N#Cc1ccc(NCc2cccc(-c3ccccn3)c2)cn1 164216990 WYEWKJQYYRIUKB-UHFFFAOYSA-N 286.338 3.627 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc3occc3[nH]2)cc1 151805566 BKAZMRJLUPZKCP-UHFFFAOYSA-N 293.326 3.630 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 152752386 JTTJEIGBSMQGBP-UHFFFAOYSA-N 298.342 3.787 30 20 CHED COCCCOc1ccccc1NCCCC(C)(C)C#N 153897407 ADABNIHTVJXLGF-UHFFFAOYSA-N 290.407 3.844 30 20 CHED CN(Cc1ccccn1)c1ccc(C(F)(F)F)c(C#N)c1 154079214 GUHSVHXEMQGMSM-UHFFFAOYSA-N 291.276 3.608 30 20 CHED N#Cc1cccc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)c1 157437818 QZYHSNSCRUJTHP-MOPGFXCFSA-N 292.382 3.568 30 20 CHED C#Cc1ccc(CNc2ccc(Cl)c(OC)c2)cc1 809655538 GGVKEPSCVLRNLV-UHFFFAOYSA-N 271.747 3.942 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H]([C@@H](C)N)C1 818565192 QPVCFYAVUJKKEY-CVEARBPZSA-N 282.472 3.713 30 20 CHED C[C@@H]1CC(C)(C)CN1c1c(Br)cccc1C#N 1186720623 JFAKPLHOBVVATF-SNVBAGLBSA-N 293.208 3.946 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN(CCCC#N)C2 1318114407 BLHPMSSFRBXWLB-UHFFFAOYSA-N 256.393 3.646 30 20 CHED C[C@H]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 160174369 YHRVCBJZCZMMDF-WCBMZHEXSA-N 269.270 3.573 30 20 CHED Cc1cccc(C(=O)N[C@@H](C#N)C2CCCCC2)c1Cl 160328677 OKYCKIDKIPQGDX-AWEZNQCLSA-N 290.794 3.851 30 20 CHED C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(O)c1 37319317 BARYYDRUGUWIAE-CHWSQXEVSA-N 266.344 3.676 30 20 CHED N#Cc1cc(NC(=O)Cc2ccc(F)cc2)ccc1Cl 48824340 YLICPHQCJGPZTQ-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CCCCCCCNc1ccccc1SCC(N)=O 59460175 SZQXIJCOPFDPBM-UHFFFAOYSA-N 280.437 3.646 30 20 CHED CC[C@@H](NCCc1cccc(C#N)c1)c1cccs1 467429812 NISPQOKFGDSTLW-OAHLLOKOSA-N 270.401 3.903 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)c1csc(Cl)c1 188938350 DHPXVRQNAPZDHS-UHFFFAOYSA-N 290.775 3.545 30 20 CHED N#Cc1ccc(OCCCCC2CCOCC2)c(F)c1 312240237 PLNCMIVXZQOUQU-UHFFFAOYSA-N 277.339 3.673 30 20 CHED N#CC1(/C(O)=N/C[C@H]2CCCSC2)CCCCC1 329329069 YDKUIDBMXWJTAQ-GFCCVEGCSA-N 266.410 3.560 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cc(Cl)ccc1OC 540170819 POUZRXVUWNCBTA-GHMZBOCLSA-N 253.773 3.964 30 20 CHED CC(C)(C#N)CCCSc1nnc(C2CC2)n1C1CC1 87609092 GHKHGXNSLOVCHG-UHFFFAOYSA-N 290.436 3.912 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 804830933 BHPHZVYOCAJJTA-UHFFFAOYSA-N 283.758 3.616 30 20 CHED Cc1ccc(CN2CCC(CC#N)CC2)c(Cl)c1 397227275 NWZUQFUEURXSRA-UHFFFAOYSA-N 262.784 3.774 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCCC23CCC3)c1 823949881 XQZDQXDNITVHPM-OAHLLOKOSA-N 258.340 3.510 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)N(C)Cc1ccccc1 853784049 VZFJUAAJLDSCPP-LBPRGKRZSA-N 283.824 3.519 30 20 CHED CC(C)(CCC#N)CNCc1ccc(F)cc1Cl 342294307 OXMAKMWAVKJVHO-UHFFFAOYSA-N 268.763 3.899 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(C#N)cc1 246183163 RTTNYILUPRNQMC-KBRIMQKVSA-N 254.377 3.711 30 20 CHED C=CCN(CC=C)Cc1csc(-c2ccc(C)o2)n1 51767013 FCXHZLSMGOMMJG-UHFFFAOYSA-N 274.389 3.886 30 20 CHED C=CCSCc1noc(-c2ccc(Cl)cc2)n1 114756639 JOJUYZJHZQHDAT-UHFFFAOYSA-N 266.753 3.809 30 20 CHED Cc1nc(CCCC(=O)Nc2cc(C#N)ccc2C)cs1 175935272 OAQJHRKANJOQOZ-UHFFFAOYSA-N 299.399 3.593 30 20 CHED Cc1cnc2ccccc2c1N1CCC[C@](C)(C#N)C1 1325222104 GINVDSLNKNBBBJ-QGZVFWFLSA-N 265.360 3.673 30 20 CHED CC[C@@H](NC(=O)c1sccc1C#N)c1cccs1 52032530 YJFPXHCMBRKZPF-SNVBAGLBSA-N 276.386 3.562 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CC)c1ccc(C)cc1 172079995 RBZYCXURZWMURQ-DZGCQCFKSA-N 260.381 3.710 30 20 CHED C=CC[C@H](C)NC(=O)NCCCCCOC1CCCCC1 116958758 IEEDYXJLIKCSNT-HNNXBMFYSA-N 296.455 3.770 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2ccc(Cl)c(C#N)n2)C1 67371000 MOQMSWXSWLLYOE-CYBMUJFWSA-N 297.789 3.909 30 20 CHED O=C1/C(=C/c2cccnc2Cl)Cc2cc(F)ccc21 114992260 YJEIMNCMZXUOAS-IZZDOVSWSA-N 273.694 3.697 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@H](C)C1 310676200 JKNNFHFUYLHPHI-AWEZNQCLSA-N 252.402 3.564 30 20 CHED CCc1sc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1C 116812215 JGMLQOBJNAQMLM-ZBEGNZNMSA-N 290.432 3.821 30 20 CHED CC(=O)Nc1ccc(C)cc1OCc1ccc(C#N)cc1F 171511664 QSRNPDNELWIWBV-UHFFFAOYSA-N 298.317 3.543 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)OCC1(CC#N)CC1 174753931 JAXAXDDAWCNCII-AWEZNQCLSA-N 271.360 3.726 30 20 CHED CC(C)(C#N)CCCN1CCc2c([nH]c3ccccc23)C1 126933442 ZOORQIXANCDZQY-UHFFFAOYSA-N 281.403 3.856 30 20 CHED CC(C)c1ccc(OCC/N=C(/N)Nc2ccccc2)cc1 303377225 OXPNFLKOBIKPHQ-UHFFFAOYSA-N 297.402 3.616 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2ccccn2)cc1 183678560 FMZBMVLQVAQFDO-GJZGRUSLSA-N 295.386 3.565 30 20 CHED CC[C@H](C#N)Sc1nnc(Nc2ccc(C)cc2)s1 127066849 DJJVGUJIEXRROE-LLVKDONJSA-N 290.417 3.984 30 20 CHED C=C(C)CN(C)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 181254135 QVXOIZISYLRDPU-CQSZACIVSA-N 285.391 3.922 30 20 CHED CC(C)OC(=O)CSCc1ccccc1C(C)(C)C#N 120978177 QOSWCMGCKANMQK-UHFFFAOYSA-N 291.416 3.673 30 20 CHED N#CCc1ccc(CN(C2CCC2)C2CCC2)cc1 429138116 DKYPVXAQNDZTGJ-UHFFFAOYSA-N 254.377 3.660 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](Oc2cccc(F)c2)C1 183354255 BTHIVZYEQSKSOV-INIZCTEOSA-N 290.382 3.609 30 20 CHED N#CCSCCCSc1ccc(C(F)(F)F)cn1 75075718 NUOAYVAVWPOFDL-UHFFFAOYSA-N 292.351 3.839 30 20 CHED N#Cc1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1C#N 318859285 JGNHQOLCGRAHGZ-UHFFFAOYSA-N 293.370 3.585 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)NCCCCC 79555514 LDDMBEHWRQVZAW-UHFFFAOYSA-N 290.407 3.583 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1 73007304 ADTLLLJZBAMGDD-ZDUSSCGKSA-N 298.386 3.544 30 20 CHED N#Cc1cc(F)ccc1CSc1nncc2ccccc12 77566292 YGXSZSYICFWSLQ-UHFFFAOYSA-N 295.342 3.933 30 20 CHED CC(C)c1ccc(CN(C)C(=O)NCC2(C#N)CCC2)cc1 419647455 NYOUUFYKBHSFGK-UHFFFAOYSA-N 299.418 3.645 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC2(c3ccc(F)cc3)CCC2)C1 185807376 XQHQGQXJDLOPEU-RHSMWYFYSA-N 286.394 3.919 30 20 CHED N#CCN(C(=O)CCCC1CCCC1)c1ccccc1 74725126 VMESUAAQFIPFGM-UHFFFAOYSA-N 270.376 3.904 30 20 CHED COC[C@@H](CC(C)C)N[C@H]1CCCc2cc(C#N)ccc21 417365824 MSWUDHQTENZLPC-AEFFLSMTSA-N 286.419 3.586 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 185142619 RHZWAXNKDNNVJY-CQSZACIVSA-N 287.403 3.701 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2sccc2c1 410116553 CFHPBIVOBFRTEO-ZDUSSCGKSA-N 259.374 3.986 30 20 CHED C=C(C)CN(CC)C(=O)CSCCCCC(F)(F)F 507638194 ZNHBCWJAGYGUJD-UHFFFAOYSA-N 297.386 3.877 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCc1coc2ccccc12 316277428 HKENQCCVTKMOSE-UHFFFAOYSA-N 293.282 3.825 30 20 CHED COc1cc(C#N)ccc1OCCS[C@H](C)C(C)C 79081297 BEKDJXSWDRZRIX-GFCCVEGCSA-N 279.405 3.723 30 20 CHED N#Cc1cccc(CCN[C@H]2CCc3c(F)ccc(F)c32)c1 503603419 SVAXBFBUMXEPBT-KRWDZBQOSA-N 298.336 3.656 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1ccccc1C(F)(F)F 410145899 QHCSKFRQBSFAGC-GFCCVEGCSA-N 285.309 3.719 30 20 CHED CCC[C@@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182145513 WFPVTHDVQFLCMS-OLZOCXBDSA-N 274.364 3.742 30 20 CHED CC#CCCCC(=O)Nc1ccc(Cl)cc1F 184881676 OVLQWBBLZSWJKF-UHFFFAOYSA-N 253.704 3.611 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 131580878 LIBDSFYGXVVHHY-OAHLLOKOSA-N 288.778 3.789 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2C[C@@H]2C2CC2)CCCC1(C)C 508074823 SWOWPOYIZPYGDA-QLFBSQMISA-N 261.409 3.626 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC(C)(C(C)C)CC1 508480856 KYNGXQLXKNCYQL-UHFFFAOYSA-N 290.455 3.850 30 20 CHED CCOc1cccc(/C=C/C(=O)c2cncc(F)c2)c1 78023092 LXXIPRJEQDZKDC-VOTSOKGWSA-N 271.291 3.516 30 20 CHED C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSCCC#N 413010979 IHUMLSKKNIPAHY-NSHDSACASA-N 296.823 3.506 30 20 CHED CCOC1CC(CSCc2cc(C#N)ccc2OC)C1 507119388 GYOJIOQHIKEMLL-UHFFFAOYSA-N 291.416 3.615 30 20 CHED N#CC1(COc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 500774540 WWVSDOJIEIMWFC-UHFFFAOYSA-N 295.313 3.739 30 20 CHED Cc1cc(F)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 43421039 ZMOBBDJVZADXDI-UHFFFAOYSA-N 297.333 3.670 30 20 CHED N#Cc1ccncc1N[C@H]1CCCc2sccc21 135605270 ZOMWKCIJTFDVGV-LBPRGKRZSA-N 255.346 3.504 30 20 CHED N#C[C@@H](C(=O)/C=C/Sc1ccccc1)c1ccccn1 193388114 XAMJAAMOHDTVIC-CFRMROPGSA-N 280.352 3.564 30 20 CHED CC(C)c1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 86281089 VRQTVIQDNCFYKP-GFCCVEGCSA-N 259.353 3.576 30 20 CHED C[C@H]1CC[C@@H](C)N1CC(O)=Nc1c[nH]nc1-c1ccccc1 329185760 OSJDQIFYCJNBKC-BETUJISGSA-N 298.390 3.538 30 20 CHED C=CCN(Cc1cnc(C)s1)Cc1ccccc1F 193495189 USNPGSVRWRVPMY-UHFFFAOYSA-N 276.380 3.779 30 20 CHED CC[C@@H]1C[C@H](/C(O)=N/CC[C@H]2C[C@H]3CC[C@H]2C3)CC(O)=N1 329634239 XMHRZMFQGDDKQP-YYFQZIEXSA-N 292.423 3.914 30 20 CHED C[C@H]1CN(C(=O)c2cccc(CC#N)c2)c2ccccc21 192503260 QLCSLRSJJGKYND-ZDUSSCGKSA-N 276.339 3.517 30 20 CHED C[C@H](NCc1ccc(C#N)s1)[C@@H]1C[C@H]1c1cccs1 421880425 OIOOQMCCVDRJOL-LEWSCRJBSA-N 288.441 3.963 30 20 CHED C=CCN(C)C(=O)Nc1cccc(COC(C)(C)C)c1C 429324560 AMSKCPMMPYRERR-UHFFFAOYSA-N 290.407 3.960 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(OC)c(Cl)cc1OC 191804357 ITSQTUCDRRGYHG-OAHLLOKOSA-N 297.782 3.898 30 20 CHED CC[C@H](C)/N=C(/O)Nc1ccc(C)c(OC(C)C)c1 331133689 JZXPQKAHIQRMMX-LBPRGKRZSA-N 264.369 3.907 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC=C(c2ccccc2)C1 424820304 LNGZRELBBFFBOV-UHFFFAOYSA-N 269.388 3.905 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1F 192361351 GWYVRSCFEBYCGE-KRWDZBQOSA-N 296.345 3.570 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1ccc(C#N)cc1F 513701857 APVZAUIXBKWBFV-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CCOc1cc(N=C(O)N2CCC[C@@H]2CC)ccc1OC 330525266 PYIRTRVMOBIVBJ-ZDUSSCGKSA-N 292.379 3.514 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)o2)cc1C 429891256 LJCWNTUIJIQYIJ-INIZCTEOSA-N 294.354 3.745 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)Nc2cccc(CC#N)c2)C1 334982600 PKLYTZMRJFYQKW-AWEZNQCLSA-N 285.391 3.653 30 20 CHED Cc1cc2c(Oc3ccccc3C#N)ncnc2s1 90065834 BCGQAPVIUCETFY-UHFFFAOYSA-N 267.313 3.664 30 20 CHED COC1([C@H](C)NCC(C)(C)CCC#N)CCCCC1 421858195 QWBUOXJTLYHOCM-AWEZNQCLSA-N 266.429 3.644 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(Cl)c(C#N)c1 517883588 SSSADZBLXIDBJM-SNVBAGLBSA-N 276.767 3.615 30 20 CHED C=CCC1(C(=O)N2CCC(F)(F)[C@@H](C)C2)CCCC1 336306864 LHBIVPFTHQDYOQ-LBPRGKRZSA-N 271.351 3.627 30 20 CHED N#Cc1ccc(/C=C\c2nc3c(C(=O)O)cccc3o2)cc1 439280390 ZHLRGGKONSGAAS-HJWRWDBZSA-N 290.278 3.568 30 20 CHED CC(C)(CCC#N)CNc1cncc(-c2cccs2)n1 338728342 XFDBHRKXWCHUJE-UHFFFAOYSA-N 286.404 3.947 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCCCC)C(C)C 438454964 MRVJBYNLHJUMNI-CVEARBPZSA-N 296.455 3.578 30 20 CHED CC[C@@H](CSC)N(C)c1ccc2cc(C#N)ccc2n1 91022518 QSCPSLJDKVPRCY-AWEZNQCLSA-N 285.416 3.684 30 20 CHED N#CC[C@@H](CC(=O)NCC12CCC(CC1)C2)c1ccccc1 527252294 HFTDFFLDCIZWTJ-RMXPPQQLSA-N 296.414 3.770 30 20 CHED CCc1ccc(-c2csc(NC(=O)[C@H](C)C#N)n2)s1 347063814 HQSCMKVYWHPFJJ-MRVPVSSYSA-N 291.401 3.532 30 20 CHED N#CCc1ccccc1NC(=O)c1coc(C2CCCC2)n1 344382511 HBASRTVMWYZZLC-UHFFFAOYSA-N 295.342 3.651 30 20 CHED C=CCCN(C)C(=O)c1ccc(-c2cccs2)o1 344263970 NJTODFMPJFBRFD-UHFFFAOYSA-N 261.346 3.656 30 20 CHED Cc1ccnc(NC[C@H](C)Cc2cccs2)c1C#N 343506887 GNHASNGMYVVWDT-LLVKDONJSA-N 271.389 3.614 30 20 CHED C=CCC[C@H](NC(=O)N1CCC(F)(F)C1)c1ccccc1 345769699 CRYPZOSYWFNZIC-AWEZNQCLSA-N 294.345 3.745 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC[C@@H](C#N)CCC#N 249093588 TTXJMFFZCNYEJV-OWCLPIDISA-N 261.413 3.624 30 20 CHED CCC[C@H](C(=O)N(CC)[C@@H](C)C#N)c1cccc(Cl)c1 600109932 SIWLNAYQZVZKOG-WFASDCNBSA-N 292.810 3.984 30 20 CHED Cc1oc(C#N)cc1-c1nc(CCCc2ccsc2)no1 346652577 RRDHPTPPKBPDQI-UHFFFAOYSA-N 299.355 3.747 30 20 CHED C=CCCOCCN[C@@H]1CCCc2c(Cl)cccc21 349782584 ZFQGHLPFNIQXDQ-MRXNPFEDSA-N 279.811 3.900 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)N(CC#N)c1ccc(F)cc1C 602392182 KIFIQQUTIOBXDA-DZGCQCFKSA-N 288.366 3.817 30 20 CHED CN(CC1CCC1)c1ccc(C#N)cc1C(F)(F)F 609964160 WDYBKIHQVGBTNV-UHFFFAOYSA-N 268.282 3.813 30 20 CHED N#CCSCCCN1CCC[C@H](c2ccccc2)C1 433061641 PYEVWUPQVUQZDA-INIZCTEOSA-N 274.433 3.513 30 20 CHED C[C@H](CCC#N)CN1CCSC[C@@H]1c1ccccc1 602440927 JQYQCDZRWLFVCW-GDBMZVCRSA-N 274.433 3.716 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1cccc(Cl)c1 432077273 OAICAFSMKXWHOF-UHFFFAOYSA-N 280.799 3.742 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCc1ccc(C)cc1 436318843 ZAALEBSFMMAKQJ-QRQLOZEOSA-N 287.447 3.887 30 20 CHED CC(C)(C)c1csc(CC/N=C\c2ccccc2O)n1 255367766 GYHGNSFAGCRXGT-YVLHZVERSA-N 288.416 3.808 30 20 CHED C=CCN(CCC#N)Cc1cccc(Cl)c1OCC 430094193 KQPJZMZKHRPNFE-UHFFFAOYSA-N 278.783 3.640 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@H]1C/N=C\c1ccccc1O 255630156 ZHJGOPMNJGFVEC-ZZLSVVOUSA-N 275.392 3.652 30 20 CHED C[C@@H](CCC#N)CNCc1cc2ccccc2s1 602585580 GVRDWFXRCBOBFI-LBPRGKRZSA-N 258.390 3.931 30 20 CHED C=CCCCOc1nc(-c2ccccc2Cl)no1 605077371 YICJQVKUPMUXGC-UHFFFAOYSA-N 264.712 3.735 30 20 CHED C[C@@H](CCC#N)CN[C@H](CCC#N)c1ccccc1 602581174 IHCHHOONKZHGFN-GOEBONIOSA-N 255.365 3.561 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1Oc1cccc(F)c1 345785999 DCUGXERBXCLGKF-LLVKDONJSA-N 284.290 3.716 30 20 CHED N#Cc1cccc(CNc2ccc3c(c2)C(=O)CCC3)c1F 342563195 WNVHEVQYXDDRMI-UHFFFAOYSA-N 294.329 3.828 30 20 CHED C[C@H](CCC#N)CNCCCn1ccc2ccccc21 602505424 CULIQRHATXRTFJ-OAHLLOKOSA-N 269.392 3.561 30 20 CHED Cc1cc([C@H](C#N)C(=O)c2ccc(Cl)c(C)c2)nc(C)n1 346169919 BBPYGLLPMOWWIL-ZDUSSCGKSA-N 299.761 3.545 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1nc2c(cc1C#N)CCC2 609192761 DXYQNJSVQXQEAI-GOSISDBHSA-N 289.382 3.850 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc3nc[nH]c3c2)CCCC1(C)C 447621436 VNXWDHMPFAYTNT-MRXNPFEDSA-N 297.402 3.770 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](CC)COCC(F)(F)F 449379838 KHXPHFKYZBZMRA-QJPTWQEYSA-N 267.335 3.534 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cc(F)c(F)cc2F)cc1 255027432 IFCZGDJFVHAMMZ-WAYWQWQTSA-N 287.240 3.872 30 20 CHED C=C[C@@](C)(CC)C(=O)N(CC)Cc1ccc(C)cc1 527489461 VFYMXKPADMQTIL-KRWDZBQOSA-N 259.393 3.946 30 20 CHED C[C@H](CCC#N)CNCc1nc2cc(Cl)ccc2s1 602533883 ZEIKWSSQXNCDBC-SNVBAGLBSA-N 293.823 3.979 30 20 CHED COc1ccc2ccccc2c1CNC[C@@H](C)CCC#N 602591107 FKVHCFBSSXZYPZ-AWEZNQCLSA-N 282.387 3.878 30 20 CHED CC1(C)CCC(C)(C)c2cc(C(=O)NC3(C#N)CC3)ccc21 609989917 GMNIBKYJTCPTRJ-UHFFFAOYSA-N 296.414 3.822 30 20 CHED N#Cc1ccncc1NCCCCc1ccc(F)c(F)c1 355742958 LQGFMWTTYMWENY-UHFFFAOYSA-N 287.313 3.666 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)C(C)(C)C1 442901936 PIWGPTIQWXZCSU-ZIAGYGMSSA-N 256.393 3.987 30 20 CHED C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1CC#N 603018207 SUEIAXKMYMWVTR-ZDUSSCGKSA-N 268.282 3.540 30 20 CHED CCOCCC1(CNC[C@H](C)CCC#N)CCCC1 602565739 GAOLUWQDRVQDRS-OAHLLOKOSA-N 266.429 3.503 30 20 CHED C=CCCCN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 605150367 OMEZSBOIPABARN-HNNXBMFYSA-N 283.774 3.819 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)Cc1cccc(C(F)(F)F)c1 449523832 YUCBRHOTLAFQGW-GLQYFDAESA-N 299.336 3.570 30 20 CHED Cc1ccc(F)c(NC(=O)c2ccc(Cl)c(C#N)c2)c1 538267283 FEKWHHFUYRTZIU-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(C)c1ccccc1C#N 532793468 YXNIUUGRARMJOM-ZIAGYGMSSA-N 270.376 3.737 30 20 CHED COc1cc(CNc2ccccc2OC(C)C)ccc1C#N 440815106 RRHHOVZQRPLCGP-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C=CCC1(C(=O)Nc2cnn(C(C)(C)C)c2)CCCC1 449810414 LSTAYDDLIUTDRJ-UHFFFAOYSA-N 275.396 3.713 30 20 CHED CCN(Cc1ccc(OC)nc1)[C@H](C)c1ccc(C#N)cc1 267166914 BHPHRIJHFHPIRK-CQSZACIVSA-N 295.386 3.545 30 20 CHED C=CCCCC(=O)NCc1ccc(-c2csc(C)n2)o1 359052806 YDUSYADIHBKDNN-UHFFFAOYSA-N 290.388 3.684 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)C[C@@H](c2ccccc2)O1 352720072 QQOBHXPKMRUZKM-BEFAXECRSA-N 292.382 3.520 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)[C@H](C)c1ccc(Cl)cc1 449517319 FERJRBOLUQYQMG-OJDYBEQGSA-N 279.811 3.765 30 20 CHED C=C(C)CN(C)C(=O)c1ccc2c3c(cccc13)CC2 351529393 KROARQNJRCUEML-UHFFFAOYSA-N 265.356 3.587 30 20 CHED N#CC1(CNC2(c3ccc(F)cc3F)CCCC2)CC1 538392151 MLAIBJFFXASKNJ-UHFFFAOYSA-N 276.330 3.627 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(C#N)s1 530672000 NVEHFTGSHMGMNW-UHFFFAOYSA-N 298.411 3.981 30 20 CHED C=CCCNC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 617617416 FXXDNLHIJYAYBB-UHFFFAOYSA-N 297.402 3.611 30 20 CHED C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)c2ccccc21 358710932 POWVCSBALZLLLK-CYBMUJFWSA-N 285.391 3.650 30 20 CHED C=CC[C@@H]1CCCN(C(=O)COC/C=C/c2ccccc2)C1 617782319 CECZANBXAMLOGP-VWGXWWAPSA-N 299.414 3.531 30 20 CHED COc1ccccc1[C@@H](C)Sc1ccc(C#N)cn1 361281521 OQWUULMFLVLTLZ-LLVKDONJSA-N 270.357 3.815 30 20 CHED C=CCC1(C(=O)N[C@H](C)[C@H]2CCCCO2)CCCCC1 450444763 CYKFNXIZPGSAFI-HUUCEWRRSA-N 279.424 3.587 30 20 CHED C[C@@H](NC(=O)Nc1cccc(CC#N)c1)[C@@H]1C[C@H]2CC[C@H]1C2 455942737 IHWPPTALUVCIOI-DYWXZXKOSA-N 297.402 3.699 30 20 CHED N#CCC[C@@H](NC(=O)NCC1CCCC1)c1ccccc1 269643637 RSJMCKXMNYQRTN-MRXNPFEDSA-N 285.391 3.521 30 20 CHED C=CCC1(c2nc([C@H](CCC)OC)no2)CCCC1 453212393 GGPAJGVKRRAYAM-LBPRGKRZSA-N 264.369 3.945 30 20 CHED Cc1ccc(-c2ncc(CNCC(C)(C)CC#N)s2)o1 459736943 VEONIKCLYVRROI-UHFFFAOYSA-N 289.404 3.741 30 20 CHED N#CCCCC(=O)Nc1ncc(-c2ccc(F)cc2)s1 360449835 SUQPRIOTJSDZTK-UHFFFAOYSA-N 289.335 3.582 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1 455268211 FRJXCIZNIIJRKD-IAGOWNOFSA-N 299.418 3.526 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CCCc3cccnc32)CCCC1 456515821 YIIIONFVVYZURS-MRXNPFEDSA-N 298.430 3.754 30 20 CHED C=CCC1(NC(=O)[C@H]2CCOc3ccccc32)CCCCC1 456376543 ZXJPXRTUGFFZGF-INIZCTEOSA-N 299.414 3.948 30 20 CHED N#C[C@@]1(F)CCN(CCCc2cccc3ccccc23)C1 615645426 NUWMJBNAPSYYAT-SFHVURJKSA-N 282.362 3.710 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CSc3ccccc32)CC1 452216385 YIJQVJSUYKVAJN-CYBMUJFWSA-N 287.428 3.739 30 20 CHED CC1(C)CN(CCCC2(C#N)CCOCC2)c2ccccc21 619621337 VPMJVVBECFTDJK-UHFFFAOYSA-N 298.430 3.885 30 20 CHED CC(C)c1ncsc1NC(=O)c1cccc(CC#N)c1 456459028 QYFIAVJHSMTJMP-UHFFFAOYSA-N 285.372 3.585 30 20 CHED CC(C)(C)[C@@H](NCc1ccc(F)c(C#N)c1)C(F)(F)F 545215272 QYOFKRSGKLMEEN-GFCCVEGCSA-N 288.288 3.764 30 20 CHED CC[C@@H](NCCc1ccc(C)cn1)c1ccc(C#N)cc1 453430124 QMAOQJLONJNIRX-GOSISDBHSA-N 279.387 3.545 30 20 CHED CC(C)c1ccc([C@H]2CCCN2C(=O)NC[C@@H](C)C#N)cc1 543804088 LYEGSRFDLIOWFQ-WMLDXEAASA-N 299.418 3.816 30 20 CHED CC1CCC(CC(=O)NCc2cc(C#N)ccc2F)CC1 361888720 LWJGRVLSQPGYLT-UHFFFAOYSA-N 288.366 3.530 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCCc2ccc(F)cc21 451338627 HRVUUNUFLFMYKY-AWEZNQCLSA-N 261.340 3.532 30 20 CHED CCCCSCCC(=O)Nc1ccc(C#N)c(F)c1 362288701 SCQGQWSEYJUYTK-UHFFFAOYSA-N 280.368 3.559 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1CCc2ccccc2C1 620864448 DVLLGHYVXJMNFV-INIZCTEOSA-N 271.404 3.653 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)Cc1ccccc1 620857406 ZTZQKOHYEPAFGC-AWEZNQCLSA-N 259.393 3.726 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 455304115 BVVOFMAPEJJHSX-NVXWUHKLSA-N 286.419 3.788 30 20 CHED Cc1ccccc1[C@H]1CN(CCC(C)(C)C#N)[C@@H](C)CO1 272045234 RWYNYNSUFLBMEH-DOTOQJQBSA-N 286.419 3.697 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@H](C)CC[C@H]1C 460799875 AOOSHFMIVMPTJL-HUUCEWRRSA-N 290.455 3.678 30 20 CHED C=CCC[C@@H](Nc1cnn(CCF)c1)c1ccco1 624127411 GMDRNCMTCWQPHV-CYBMUJFWSA-N 263.316 3.565 30 20 CHED C=CCN(C(=O)c1cc(OC)cc(Cl)c1F)C(C)(C)C 622945481 FMEITIJMGFDOCX-UHFFFAOYSA-N 299.773 3.914 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2C[C@H](c3ccccc3F)C2)C1 370105690 QIXGCGNINAQBEJ-APIJFGDWSA-N 272.367 3.744 30 20 CHED C=CCN(C(=O)C[C@H]1CCc2ccccc21)C(C)(C)C 622944304 MXKJOLKWLRTACE-OAHLLOKOSA-N 271.404 3.920 30 20 CHED CC(C)(C#N)CCN1CCC(OCC2CCCCC2)CC1 540668984 WTIHZZATHVVBJE-UHFFFAOYSA-N 292.467 3.988 30 20 CHED CCc1ccccc1NC(=O)CSCCC(C)(C)C#N 289463540 VJESGDKSIVPIMB-UHFFFAOYSA-N 290.432 3.861 30 20 CHED C=C(CNC(=O)C[C@@H](C)c1c(C)noc1C)c1ccccc1 286790241 RUGRNIYDYIBKRL-GFCCVEGCSA-N 298.386 3.615 30 20 CHED C=CCN(C(=O)CCc1ccccc1F)C(C)(C)C 622943189 RKIDRYQIUKQIDB-UHFFFAOYSA-N 263.356 3.571 30 20 CHED CCN(CCCSCC#N)c1cccc(C)c1C 467194829 DKXMFPCUBPSXSI-UHFFFAOYSA-N 262.422 3.777 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCC1(C)C 554340156 FYRGQMMORRAFGN-ZDUSSCGKSA-N 278.421 3.634 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Cn1ccc2ccccc21 556989749 DXIFVGVTJMXMNE-HNNXBMFYSA-N 284.403 3.750 30 20 CHED CCc1cc(O)ccc1NC(=O)[C@H](C)c1cccc(C#N)c1 462335327 OXACEVASZFNWHB-GFCCVEGCSA-N 294.354 3.568 30 20 CHED C[C@H](NC1CC(C(F)(F)F)C1)c1ccc(C#N)cc1F 554140687 HWLHMQLJYRBXSC-PUSIOWJLSA-N 286.272 3.689 30 20 CHED C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(C#N)c(F)c1 287329163 MHNGDKQFGPVCST-SDBXPKJASA-N 286.272 3.689 30 20 CHED C=CCC[C@H](NCCCc1cn[nH]c1C)c1ccco1 285815811 WBDFFYCSPUMWGW-HNNXBMFYSA-N 273.380 3.541 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc2[nH]c(C)cc2c1 285679765 FBKXCQRCTUJKLJ-UHFFFAOYSA-N 282.387 3.861 30 20 CHED C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCC1 280259813 UVKFQVBOTWZXJT-ZDUSSCGKSA-N 284.403 3.796 30 20 CHED Cc1cc(Oc2ncccc2[N+](=O)[O-])c(C)c(C)c1C#N 557763192 YWGGJVHBOPMOTH-UHFFFAOYSA-N 283.287 3.579 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccccc1SC 281749698 BTDFMXAKBOCYHU-NWDGAFQWSA-N 278.421 3.733 30 20 CHED CC(C)(C#N)CC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 295829321 UTBYXKLGWACFAK-HOTGVXAUSA-N 284.403 3.626 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(COC)cc2)n1 551134710 FNJVJJQYRLUCQX-UHFFFAOYSA-N 272.348 3.737 30 20 CHED C#CCCc1noc(C[C@H]2C[C@H](C)c3c(C)cccc32)n1 809397381 QCJNBSABLUVYTL-UONOGXRCSA-N 280.371 3.777 30 20 CHED Cc1cc(OC(=O)[C@H]2CCC(F)(F)C2)c(C)c(C)c1C#N 809037576 DCFYURCCOQBISV-LBPRGKRZSA-N 293.313 3.824 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 478444218 FWHIBHNNXOQVID-QGZVFWFLSA-N 298.430 3.776 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NN[C@@H]1CCSC1 807999756 AJRKABRHOAVDJO-GFCCVEGCSA-N 298.839 3.558 30 20 CHED CCCC1(C(=O)OCCCC2(C#N)CCOCC2)CCC1 800182524 GMSZMAKPHWNJKT-UHFFFAOYSA-N 293.407 3.601 30 20 CHED CCC1(CNC(=O)Nc2cc(C#N)ccc2C)CCCC1 473788846 QSPFPBGMTWJWLO-UHFFFAOYSA-N 285.391 3.959 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(cnn2C(C)C)c1 648947699 YUMLLIPDGAMNNC-UHFFFAOYSA-N 271.364 3.768 30 20 CHED C=CCCCCN[C@H](C)c1cc(F)ccc1OC 562303319 XGQOKNJEMYJPOL-GFCCVEGCSA-N 251.345 3.841 30 20 CHED Cc1nc(S[C@H](C)c2ccc(C#N)cc2)[nH]c1C 292611558 ITKUCNUGMVBBJZ-LLVKDONJSA-N 257.362 3.752 30 20 CHED C[C@H](C#N)OCCN(C)Cc1ccccc1-c1ccccc1 801917063 OQOYZQOEEXSASN-MRXNPFEDSA-N 294.398 3.714 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2ccnc(Br)c2)C1 800816067 YXSVRJFPXKLIDB-NXEZZACHSA-N 282.185 3.678 30 20 CHED C=CCCCCCCNC(=O)Cc1ccc2c(c1)COC2 805219841 YAELVEJRTRATOK-UHFFFAOYSA-N 287.403 3.512 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)OCCCSCC#N)CC1 805512908 HQSNOAIFDJJFMR-HDJSIYSDSA-N 283.437 3.639 30 20 CHED N#Cc1cccc(CCNC(=O)CCC2CCCCC2)c1 477858866 VHWCEBXXSLJFMX-UHFFFAOYSA-N 284.403 3.577 30 20 CHED Cc1cc(-c2ncco2)ccc1NC(=O)C1(C#N)CC(C)C1 565547630 BMNVYDKHEPDOQO-UHFFFAOYSA-N 295.342 3.528 30 20 CHED CC[C@@H]1CCC1=NNc1ncnc(Cl)c1C(C)C 807986671 QSVOVGALFKYUIS-SECBINFHSA-N 266.776 3.841 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCCC#N)C2CC2)o1 292387579 DOJIWQNHYLCBES-DOMZBBRYSA-N 286.375 3.588 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)CCCC#N 291801369 YUSWFZPPPYUEFJ-MRXNPFEDSA-N 272.392 3.892 30 20 CHED N#CCC[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccccc1 295787732 RWHARSZXQGULAC-IRXDYDNUSA-N 284.403 3.723 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 295220740 XUKPSVJECDFDHR-SNVBAGLBSA-N 296.754 3.641 30 20 CHED C#CCON=C1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 812232949 KWGYQDICSLKURL-CYBMUJFWSA-N 281.277 3.979 30 20 CHED CCCCn1nc(C)c(C=NOC2CCC2)c1Cl 812237022 GRHFWODOMQZNLK-UHFFFAOYSA-N 269.776 3.548 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 815004290 DAMCYULQPBGEPU-XQQFMLRXSA-N 271.351 3.625 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1cnn(C)c1 812232404 GRKLDXHRYAQELN-UHFFFAOYSA-N 270.380 3.688 30 20 CHED Oc1ccc2ccccc2c1C=NOC/C=C\Cl 811671476 GBALXXZJVBQWOO-WFXYSFRUSA-N 261.708 3.648 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(OCCC)c1 814998844 ADZDSEZQGBKAPS-UHFFFAOYSA-N 269.291 3.625 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCOc1cccc(C)c1C 488868707 ZQWLDPQINQAVPY-INIZCTEOSA-N 287.403 3.639 30 20 CHED C=CCC(C)(C)C(=O)NCCOCc1ccc(Cl)cc1 488700317 NOPDKEQROGYZIQ-UHFFFAOYSA-N 295.810 3.575 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H](C)C1 572820074 JHNDOGRXCJZBNX-MYWGYQQTSA-N 296.414 3.603 30 20 CHED C=C[C@@H]1CCCCN1Cc1csc(-c2ccoc2)n1 489482853 SGMSCHPTNQZGPE-CQSZACIVSA-N 274.389 3.944 30 20 CHED CCC(=NNCc1ccccc1)c1ccc(Cl)c(N)c1 814751435 MDMFHKXNFMBUKN-UHFFFAOYSA-N 287.794 3.826 30 20 CHED C=CCN(C(=O)COC1CCC(C)CC1)c1ccccc1 483196821 KPQBFWMPKHAJDK-UHFFFAOYSA-N 287.403 3.801 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1cc(N)ccc1F 814849970 RPMIFGDRQDEDIW-UHFFFAOYSA-N 297.255 3.661 30 20 CHED C=CC[C@H](C)N[C@@H](c1ccc(OC)cc1)c1ccccn1 652166393 QNRQKLPQRJPSAT-KSSFIOAISA-N 282.387 3.734 30 20 CHED CCCCCC[C@H](C)NN=C[C@](C)(OC)C1CC1 814858983 KSRGYECTIBTSBI-ZFWWWQNUSA-N 254.418 3.736 30 20 CHED CC1(c2ccccc2)CCC(NCC2(C#N)CC2)CC1 571619237 RRRHLGVQQFUJFX-UHFFFAOYSA-N 268.404 3.780 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(-c2nccs2)c1 481676036 WIVRBKCMOUFPKW-UHFFFAOYSA-N 287.388 3.850 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1O 818356620 OSFOFXNYOFCNEI-GARJFASQSA-N 298.308 3.754 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](C)c1ccccc1F 488395384 HPSLEHQXFJREFZ-ZDUSSCGKSA-N 286.350 3.646 30 20 CHED CCc1ccc(CN(C)C(=O)c2cccc(F)c2C#N)cc1 487536293 JKDGFTDTBQYRJM-UHFFFAOYSA-N 296.345 3.532 30 20 CHED Oc1nc(NN=C2CCCC23CCCC3)nc2ccccc12 814868891 MDPPLSYYIYPIET-UHFFFAOYSA-N 296.374 3.848 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C=C/CCC 729348684 WTTQWZDXKWECNK-KPKJPENVSA-N 257.377 3.600 30 20 CHED C=C(C)CCN(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 577735020 RVBUKEWGFDAPFR-INIZCTEOSA-N 292.492 3.776 30 20 CHED C=CCCC(=O)OCCCOc1cc(C)cc(C)c1 726655719 SYUQKERHXIUMSW-UHFFFAOYSA-N 262.349 3.582 30 20 CHED N#Cc1cccc(F)c1Cc1nc([C@H]2C[C@H]3CC[C@H]2C3)no1 576263840 WASLNQBVHIQWSO-MJVIPROJSA-N 297.333 3.575 30 20 CHED C[C@@H]1CCCC1=NNC(=S)Nc1cccc(Cl)c1 729144156 QODMVLPTMNALGT-SECBINFHSA-N 281.812 3.802 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccc(O)c(F)c1 728438946 REZXZOSIOHPBKX-VQHVLOKHSA-N 286.302 3.826 30 20 CHED CC(=O)c1c(C)cc(C)c(CN2CCC[C@H](CC#N)C2)c1C 661149464 CBBSEJUFFNJTRG-QGZVFWFLSA-N 298.430 3.940 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C)n(C(C)C)n1 667269616 IJEMRTBILFZCNP-UHFFFAOYSA-N 278.400 3.639 30 20 CHED Cc1cc(C#N)nc(N[C@H]2c3cccc(F)c3CC[C@H]2C)n1 587993577 YQMRNBSPVWNJTJ-QLJPJBMISA-N 296.349 3.531 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1cccc(Cl)c1 588523469 JHUSKZOOPWVSFF-XQRVVYSFSA-N 261.683 3.770 30 20 CHED CCC[C@H](C)CC(=O)O[C@H](C)c1cccc(C#N)c1 727635996 QJDPYZFBXUHZPS-QWHCGFSZSA-N 259.349 3.989 30 20 CHED C=CC[C@H](C)NC(=O)NCc1cc2cc(C)ccc2o1 660680999 IKJFYGLQMBHNEE-LBPRGKRZSA-N 272.348 3.505 30 20 CHED C=CCCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 494956113 SYFGJMAYVCPSMH-RHSMWYFYSA-N 277.383 3.849 30 20 CHED C=CCCCCCN[C@H](C(=O)O)c1ccc(C)c(C)c1 905381141 PHYXWVRQQZNJFP-INIZCTEOSA-N 275.392 3.765 30 20 CHED CCc1ccc(CC/N=C\c2cc(OC)ccc2O)cc1 735978810 LBTNIJLSDIQQTR-UYRXBGFRSA-N 283.371 3.625 30 20 CHED C=CCCCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 496233279 BRPBNACZXMQEMD-AWEZNQCLSA-N 288.391 3.602 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@H]1CC[C@@H](C#N)C1)CCC2 490437648 UWONRWXSHWZHIL-KMFMINBZSA-N 254.377 3.654 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCCCC#N 588369605 UQUGTOAUUIZHBQ-ILXRZTDVSA-N 262.397 3.640 30 20 CHED CCCCn1ncc(NC(=O)C#CC(C)(C)C)c1C(C)C 837572715 OTNZDGOAJQLKDS-UHFFFAOYSA-N 289.423 3.795 30 20 CHED C#Cc1ccc([C@@H](OC(=O)[C@H](C)C2CC2)C(F)(F)F)cc1 836081234 RHVZQVCRGQVCFQ-QMTHXVAHSA-N 296.288 3.861 30 20 CHED N#CC1(CCCCN(CCCN)Cc2ccccc2)CCC1 903746632 IXNWHEHLGSNWKM-UHFFFAOYSA-N 299.462 3.702 30 20 CHED CCC(CC)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 835104484 VOZNUYDRUCBHGQ-ZDUSSCGKSA-N 299.399 3.818 30 20 CHED C=CCNC(=S)N[C@@H](c1ccccc1Cl)C(C)C 734309215 PIAGXUUTMCANMW-CYBMUJFWSA-N 282.840 3.687 30 20 CHED CCCCCCCCNC(=O)c1nc[nH]c1C(F)(F)F 831165354 PHZMXHQXNAZMGE-UHFFFAOYSA-N 291.317 3.519 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc3nc(O)[nH]c3c2)c1 734981884 XUAZWVZVPYMVOZ-QPJJXVBHSA-N 296.301 3.612 30 20 CHED C=CCN(C(=O)NCC[C@H]1CCCC[C@@H]1C)C(C)C 734071102 GREZHOBAYZXHPD-LSDHHAIUSA-N 266.429 3.809 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(F)c3occc23)C1 905929676 RRWGNMCJACXJJL-GHMZBOCLSA-N 287.290 3.811 30 20 CHED C(=NNc1nncc2ccccc12)c1ccnc2ccccc12 731315157 ZEPPJDBUTBXPTA-UHFFFAOYSA-N 299.337 3.624 30 20 CHED N#CCCCCCC(=O)N1CCc2c(Cl)cccc2C1 588158878 XGYXBRCJZRRFIL-UHFFFAOYSA-N 290.794 3.699 30 20 CHED CCc1nocc1C=NNc1ccc(C(C)C)cc1 835018813 VHXZQDRIMAOFPP-UHFFFAOYSA-N 257.337 3.806 30 20 CHED CC(C)(C)CN(C(=O)c1cccc(C#N)n1)c1ccccc1 589793030 RFTZTSOFBFTAJD-UHFFFAOYSA-N 293.370 3.646 30 20 CHED CCCCCCCC(=O)N(CC)c1ncc(C(=O)O)s1 736983573 OFBXSVZQCJSJBI-UHFFFAOYSA-N 298.408 3.555 30 20 CHED CC(C)(C#N)CCCNc1ccccc1N=S(C)(C)=O 902095377 OKLISBUKJCUKQB-UHFFFAOYSA-N 293.436 3.788 30 20 CHED CCOc1cccc(C=NNc2c(F)cccc2F)c1 735614867 DXPZVQRWYHQOKD-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CC1=CC(=NNc2nccnc2Cl)CC(C)(C)C1 733079169 YBUSAHWDQCQILW-UHFFFAOYSA-N 264.760 3.664 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](c2ccncc2)C1 583543653 IGAUHMKUJZCXCH-KBXCAEBGSA-N 277.371 3.504 30 20 CHED N#Cc1ccc(SCc2ccoc2C(=O)O)c(Cl)c1 833073622 FSFNEBBLRHYRKC-UHFFFAOYSA-N 293.731 3.795 30 20 CHED COc1cccc(O)c1/C=N/CCOC1CCCCCC1 735619826 RGRFROGDWNNFOM-QGOAFFKASA-N 291.391 3.559 30 20 CHED COCCOc1cccc(/C=C/C(=O)c2cccc(C)c2)c1 917144626 JJJDDOWOKDAWTI-MDZDMXLPSA-N 296.366 3.916 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CSc3ccccc32)c1 735564832 HJSAGBDENXAMIR-HNNXBMFYSA-N 294.379 3.636 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccc(C#N)cc1 918153474 WERSVILJNOTRMN-UHFFFAOYSA-N 283.762 3.725 30 20 CHED CC1(c2noc(/C=C\c3cccc(C#N)c3)n2)CCCC1 599197516 JJQQBNADCVNDSY-FPLPWBNLSA-N 279.343 3.943 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1cccc(CC#N)c1 593219303 DEGRYWBTHNWYCS-DZGCQCFKSA-N 285.391 3.699 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2ccccc2C(F)F)C1 591869649 UDLXMRSVZFUTCX-HNNXBMFYSA-N 293.317 3.782 30 20 CHED COc1cccc(O)c1/C=N/Cc1c(F)cccc1Cl 745625177 UDYMMJMZTHKVPH-GIJQJNRQSA-N 293.725 3.812 30 20 CHED C=C(CNC(=O)NC[C@@H](C)c1ccccc1)c1ccccc1 672683062 FBOVQZGJTSIUPU-MRXNPFEDSA-N 294.398 3.803 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@H]2c2ccccc2C)n1 596085061 HFANYBROFJJZEJ-INIZCTEOSA-N 292.386 3.561 30 20 CHED C=CCN(C(=O)CSc1cc(C)ccc1C)C(C)C 915153464 MPEPAIOEKVSRPN-UHFFFAOYSA-N 277.433 3.819 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC12CCC2 675302793 KLLWQAAMIQWAOL-AWEZNQCLSA-N 273.351 3.531 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C2CCC2)C1 591338795 HRUQWXXGZMTWRB-HNNXBMFYSA-N 283.375 3.521 30 20 CHED CCCCCCCCCCn1cc([N+](=O)[O-])cn1 746393365 GFYPWMLQTLXMHU-UHFFFAOYSA-N 253.346 3.932 30 20 CHED CC(C)c1ccc2c(c1)CN(CCCCC#N)CC2 595657538 MVGXZFDCILPRBK-UHFFFAOYSA-N 256.393 3.862 30 20 CHED Cc1ncsc1C=NNc1ccccc1Br 743433575 BBGMEICAECWQLS-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CCC(=NNCc1ccc(OC)cc1)c1cccs1 917549223 SDJSUFMBDKKCFD-UHFFFAOYSA-N 274.389 3.661 30 20 CHED COc1cc(Cl)c(F)c(C(=O)O[C@H](C)C(C)(C)C#N)c1 842326053 XMYQTTQKICLIDB-MRVPVSSYSA-N 299.729 3.583 30 20 CHED N#CC1(CCOC(=O)[C@H]2CC2(Cl)Cl)CCCCC1 840097080 DKOJXNCMBODBBS-SNVBAGLBSA-N 290.190 3.588 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)NCC(C)(C)CC#N 590949409 WFXJZOISQSFBJO-MRXNPFEDSA-N 299.418 3.645 30 20 CHED O=C(/C=C/c1coc2ccccc12)c1ccc(O)cc1O 746520246 MYLKMEYVHKAVBS-VMPITWQZSA-N 280.279 3.740 30 20 CHED C=CCN(C(=O)c1ccc(CSC)cc1)C(C)(C)C 598866864 YQGDBAAWZMJCRR-UHFFFAOYSA-N 277.433 3.976 30 20 CHED C=C(Cl)COC(=O)[C@H]1C[C@]12CCCc1ccccc12 745719509 HZEIJKROJHJAJZ-ZBFHGGJFSA-N 276.763 3.576 30 20 CHED CCOc1c(Cl)cccc1CN1CCC[C@@H](CC#N)C1 597177516 NXUDQSYIWZABIG-ZDUSSCGKSA-N 292.810 3.864 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 912078163 RHQRCNZOOZAFNV-PBHICJAKSA-N 297.402 3.759 30 20 CHED CCCNN=C1CCSc2ccc(Cl)cc21 915965364 NQEMMDWYJUALRT-UHFFFAOYSA-N 254.786 3.540 30 20 CHED CC(C)[C@H](C#N)N1CCN(CCC2CCCCCC2)CC1 593969072 ZRZBOIUXGJABBY-SFHVURJKSA-N 291.483 3.513 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 597034578 PQROXXCFWOSTPI-LNLFQRSKSA-N 298.430 3.700 30 20 CHED C=CCCC(=O)OCc1csc(CCC(C)C)n1 744922016 WCPGNQSEFOSZTA-UHFFFAOYSA-N 267.394 3.741 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(C#N)cc1 916268091 JHPOIIWOWVKJNR-UHFFFAOYSA-N 253.280 3.533 30 20 CHED C=C(C)CCOC(=O)c1cnc(Cl)c(Cl)c1 744305131 OEXVQYZKPGIIOS-UHFFFAOYSA-N 260.120 3.511 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2ncccn2)cc1 741848385 TVTYXGQFKSIMHG-CQSZACIVSA-N 266.348 3.521 30 20 CHED C=CCCSCCN[C@H](CC)c1ccc(C#N)cc1 595058306 HBNREUAEQVGNDN-MRXNPFEDSA-N 274.433 3.908 30 20 CHED C/N=C(/NCC1(c2ccccc2C)CCCCC1)NC1CC1 849023189 WHILYQIGAZBLQA-UHFFFAOYSA-N 299.462 3.524 30 20 CHED N#CCCCCOC(=O)[C@H]1C[C@@]12CCCc1ccccc12 744139029 HCQBKUIDMLOLEI-SJLPKXTDSA-N 283.371 3.518 30 20 CHED CC(=NNc1nc2ccccc2s1)c1scnc1C 915109607 BHWUOMICQIPJLY-UHFFFAOYSA-N 288.401 3.897 30 20 CHED C=CC[C@@H](NC(=O)Cc1ccc(CC)cc1)c1ccncc1 741693199 LLHUFSZTSBASFI-GOSISDBHSA-N 294.398 3.620 30 20 CHED CC(C)C[C@H](C(=O)NC[C@@H](C)C#N)c1ccc(Cl)cc1 597201104 LSRHPNIJKUCNQX-WFASDCNBSA-N 292.810 3.746 30 20 CHED Cc1ccc2sc(CN3CCC[C@H](CC#N)C3)nc2c1 599468352 DNCXPVVUBDOKQF-CYBMUJFWSA-N 285.416 3.730 30 20 CHED CCN(CC)c1ccc(/C=N\[C@@H]2CCCSC2)c(O)c1 749008268 UBAQXSZHPPUVJT-RQNDZEIBSA-N 292.448 3.553 30 20 CHED C=CCCSCC/N=C\c1cc(Cl)ccc1O 849170340 OERWVGKHGLOVTI-GDNBJRDFSA-N 269.797 3.774 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)[C@H]1CCCC[C@H]1C 848413928 FNCQGHMBFSHNKA-WBMJQRKESA-N 288.391 3.928 30 20 CHED C(=NNCc1ccccc1)c1cccc(-c2ccccn2)c1 747742588 WTTJWGYQOMNCAR-UHFFFAOYSA-N 287.366 3.872 30 20 CHED C/C(=C\C(=O)OCc1ccc(C#N)cc1F)C(C)(C)C 745596046 FUEFHSBWDVZDIO-YRNVUSSQSA-N 275.323 3.733 30 20 CHED Fc1ccc(-c2ccc(C=NO[C@H]3CCCCO3)o2)cc1 755822831 ONOJAQHWIJDJEX-INIZCTEOSA-N 289.306 3.963 30 20 CHED C#CCCOC(=O)Oc1ccc(C(F)(F)F)cc1C 859139474 QFABBILZBQOVMC-UHFFFAOYSA-N 272.222 3.553 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccc2c(c1)CCO2 755584523 LIVUYZDCBHLXAM-IWQZZHSRSA-N 286.277 3.796 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NOCC(F)F 758903107 AQNMOHOWXGRWLT-UHFFFAOYSA-N 259.271 3.662 30 20 CHED CCCCCC(C)(C)C(=O)NCCc1ccc(C#N)cc1 855225636 RHPKRLHVAIEWEQ-UHFFFAOYSA-N 286.419 3.823 30 20 CHED C#C[C@@](C)(CC)NCc1ncc(-c2ccc(Cl)cc2)o1 852098940 ZRWBLVLZSQTVLO-INIZCTEOSA-N 288.778 3.887 30 20 CHED C[C@H]1CC[C@H](CC(=O)OCc2cc(C#N)ccc2F)C1 759417463 DMGSLKRRGUKPOV-RYUDHWBXSA-N 275.323 3.567 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1ccc(CC#N)cc1 759903675 CJELCVYQUFRYHI-CQSZACIVSA-N 279.339 3.979 30 20 CHED C#CCCCC(=O)N(CC)C[C@H](CC)c1ccccc1 759202817 RAPLBSNKXPIBMD-INIZCTEOSA-N 271.404 3.832 30 20 CHED CC(=NOCC(F)F)c1ccc(C(F)(F)F)cc1 758904890 UTVZPACDWAHGNP-UHFFFAOYSA-N 267.197 3.711 30 20 CHED O=[N+]([O-])c1ccccc1C[C@H]1CCCC1=NOCC(F)F 758898886 ACECFRBNTRIBOQ-SNVBAGLBSA-N 298.289 3.575 30 20 CHED CCn1nc(C)c(C=NNc2cccc3cnccc23)c1C 755698213 JREGYRLGGHYTKI-UHFFFAOYSA-N 293.374 3.514 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1cc2sc(N(C)C)nc2s1 755997554 VCGPLPXPIODPML-MRVPVSSYSA-N 296.417 3.545 30 20 CHED Cc1ccc([C@@H](NCCCCC#N)c2cccnc2)cc1 924942199 LSNZVJIVAHNVIM-GOSISDBHSA-N 279.387 3.763 30 20 CHED Cc1cccc([C@@H](C)OC(=O)c2ccc(C#N)s2)c1 750712391 JYZQABDNTHSDIU-LLVKDONJSA-N 271.341 3.846 30 20 CHED COc1ccc(NN=Cc2cnc(C(C)(C)C)s2)cc1 750924055 JOAHLSITEFNXEA-UHFFFAOYSA-N 289.404 3.895 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(O)c(F)c1)CO2 755588468 BVKAEUMJYQDPQQ-QPEQYQDCSA-N 298.313 3.807 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)CC1CC(OCC)C1 851145080 VFPCHAIGRGDUAR-BHDPWAOGSA-N 280.408 3.870 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cc2ccccc2o1 924744388 AIBFYKKJVJTLAF-LBPRGKRZSA-N 256.349 3.851 30 20 CHED Cc1cc2ccccc2n1CC(=O)O[C@H](C)CC(C)(C)C#N 851213615 RWECDUPLSICHBB-CQSZACIVSA-N 298.386 3.821 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(-c2ccccc2)cc1 752972915 DTRKLUWMSUJKEU-INIZCTEOSA-N 278.355 3.887 30 20 CHED C#C[C@H](CC)NC(=O)c1sc(C2CCCCC2)nc1C 754367862 DBHQWZPEOALULM-CYBMUJFWSA-N 290.432 3.641 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccccc1Br 758374698 VMYQLVDTNUBXME-IUCAKERBSA-N 253.143 3.503 30 20 CHED C#CC[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccccc1 757032977 KHUXHJQYFQELIS-HZPDHXFCSA-N 284.403 3.629 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1cncc(COC)c1 851141606 BQXPMGDTESZBCW-HOCLYGCPSA-N 289.375 3.520 30 20 CHED CC(=NNc1nc(C(F)(F)F)cs1)c1ccco1 755905008 RDMBQVHFSYBUQN-UHFFFAOYSA-N 275.255 3.591 30 20 CHED O=C(/C=C/c1cccc(Cl)c1F)c1ccc(O)cc1O 759653076 OGGWGVRCWCXJEB-QPJJXVBHSA-N 292.693 3.786 30 20 CHED CCCCn1nc(C)c(C=NO[C@H]2CCCCO2)c1Cl 755813164 DGKXSQXBSIFJHT-ZDUSSCGKSA-N 299.802 3.522 30 20 CHED Fc1ccc(/C=C/C=NNc2nccnc2Cl)c(F)c1 758123658 PHYJMIHSNCNVNN-ITUCHRIJSA-N 294.692 3.519 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1ccncc1 756582059 FLDPLQFZDKAADW-BLLLJJGKSA-N 286.350 3.894 30 20 CHED CCC(CCc1ccccc1)=NNCCc1ccncc1 863111165 PEMCXRDGTFDMRJ-UHFFFAOYSA-N 281.403 3.613 30 20 CHED C#Cc1ccc(NC(=O)N[C@@H](C)c2csc(CC)n2)cc1 934934597 ZYBUTDOAIQVDOU-NSHDSACASA-N 299.399 3.570 30 20 CHED C#CCCCSc1nc(C2CC2)nn1-c1ccccc1 766287380 GWVBMOLUJKBXEK-UHFFFAOYSA-N 283.400 3.650 30 20 CHED C#C[C@@H](C)N(C)C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 767257822 MDRKMKNJWXFAFF-HCRIHEDKSA-N 295.304 3.589 30 20 CHED CC[C@H](C)CCCCC(=O)OCC1(C#N)CCC1 768103110 FGLRWVHEHDCANV-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED C=CCOc1ccc(COC(=O)c2occc2C)cc1 763642245 SFOWLBVGYXOIIQ-UHFFFAOYSA-N 272.300 3.510 30 20 CHED C#C[C@H](OC(=O)CCCCCC#N)c1ccc(C)cc1 860961716 FFQROCHHMODKQL-INIZCTEOSA-N 269.344 3.687 30 20 CHED CC#CC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 764055027 HGNMHLUWJYJWTK-QGZVFWFLSA-N 257.377 3.647 30 20 CHED N#CC[C@@H](CC(=O)OCCCc1ccco1)c1ccccc1 861019128 RMGPILFCRMQITH-INIZCTEOSA-N 297.354 3.843 30 20 CHED O=[N+]([O-])c1cc(NN=C/C=C/c2ccccc2)ccc1F 769830264 MUHCROXZHGPVTR-ZFENKPHASA-N 285.278 3.845 30 20 CHED Cc1cncc(C(=O)/C=C\c2cnc(Cl)c(C)c2)c1 767365941 HVPHDUTWEUCKDE-ARJAWSKDSA-N 272.735 3.643 30 20 CHED C#CCCN(C[C@@H]1C[C@@H]1c1ccccc1)CC(F)(F)F 768534050 YYWNFFHAVQEQDK-LSDHHAIUSA-N 281.321 3.678 30 20 CHED C=C[C@H](OC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccccc1 860883487 TZQXJKJUEOYVNZ-KLUNEYRZSA-N 274.360 3.516 30 20 CHED Cc1cc(/C=C2/Cc3c(O)cccc3C2=O)cnc1Cl 760261469 CVNGBILYZZOSBM-WDZFZDKYSA-N 285.730 3.571 30 20 CHED CCC(CC)(CC)C(=O)OCc1ccccc1C#N 761132612 QEMUVCRAUVBUAH-UHFFFAOYSA-N 259.349 3.818 30 20 CHED COc1ccc(NCCCOc2cccc(C#N)c2)c(C)c1 763243036 BLBWRDFRCRJUCG-UHFFFAOYSA-N 296.370 3.756 30 20 CHED C#CCCCNc1cc(Cl)ccc1OC[C@@H]1CCCO1 766723584 FRMWEMZQZFROQY-AWEZNQCLSA-N 293.794 3.723 30 20 CHED C=C(C)CNC(=S)N(C)C[C@@H](C)C1CCCCC1 863230134 DSNOILLCOCPLGW-CYBMUJFWSA-N 268.470 3.585 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1ccc(F)cc1F 1116488174 NTPRGCQHYFKTGL-NEPJUHHUSA-N 281.346 3.929 30 20 CHED C=CC[C@H](CCc1ccccc1)OC(=O)c1conc1C 860733384 IBDZSAOTNIZOQS-OAHLLOKOSA-N 285.343 3.717 30 20 CHED C=CCC(C)(C)CNCc1cccnc1Br 865578920 PRIWNRATUYAKRD-UHFFFAOYSA-N 283.213 3.536 30 20 CHED CC(C)(C)c1cnc(NC(=O)CC#Cc2ccccc2)s1 1116274479 UXDBXHMQVARSHQ-UHFFFAOYSA-N 298.411 3.821 30 20 CHED CCCCCCCCCCN1CC[S@](=O)C[C@H](C)C1 763874766 FFDJYCQSEOODBI-APWZRJJASA-N 287.513 3.828 30 20 CHED CCc1cnccc1C(=O)/C=C/c1nc2c(s1)CCCC2 776264759 ICUYQHJGXWFJEE-BQYQJAHWSA-N 298.411 3.875 30 20 CHED FC(F)(F)c1ccccc1ON=C1CCCOCC1 770606634 CPWDRLCDOUOCRQ-UHFFFAOYSA-N 273.254 3.641 30 20 CHED C[C@H](C#N)COC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 770942761 GMEVRXPWIXGSIN-GFCCVEGCSA-N 296.370 3.753 30 20 CHED C#C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 775571468 HMPRFNRZRFFNBV-NZVBXONLSA-N 298.213 3.825 30 20 CHED N#Cc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)c(F)c1 772800329 GJMQWHRKQDFNBH-NTUHNPAUSA-N 281.261 3.659 30 20 CHED CCOc1ccc(NCC#Cc2ccc(F)cc2)cc1 771188290 GLNHGYYUZDGYEW-UHFFFAOYSA-N 269.319 3.688 30 20 CHED C[C@@H](OC(=O)[C@H](F)Cc1ccccc1)c1ccc(C#N)cc1 778024247 NJOWMKWYUKTMRB-CXAGYDPISA-N 297.329 3.743 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1cc(SC)ccc1C 879114026 SFODETADCJVUCO-HNNXBMFYSA-N 276.405 3.640 30 20 CHED N#Cc1ccc(C=NNc2cccc3cnccc23)c(F)c1 772841555 GXUQMMLLWUHZJK-UHFFFAOYSA-N 290.301 3.692 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccc(C#N)c(Cl)c2)C1 777776418 PUJJDOJXHXSYMX-BXKDBHETSA-N 263.724 3.557 30 20 CHED C#C[C@H](C)NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 772962272 LOSXALGZIHSSDN-QFBILLFUSA-N 291.394 3.541 30 20 CHED C#CCCCOC(=O)[C@@H](C)CSCc1ccccc1 772972614 SZOXHIJPHUIVSS-AWEZNQCLSA-N 276.401 3.513 30 20 CHED CCN(CCC#N)Cc1ccc2ccc(Cl)cc2n1 878159345 JAZUMVIXAVLZFW-UHFFFAOYSA-N 273.767 3.624 30 20 CHED O=c1ccccn1N=Cc1ccc(-c2ccccc2Cl)o1 776791409 JLAIJXRDXUOQQO-UHFFFAOYSA-N 298.729 3.644 30 20 CHED COCC(=NNc1nc2ccccc2cc1C)C(C)C 776782048 FBADBRUETSMSQY-UHFFFAOYSA-N 271.364 3.614 30 20 CHED C=C[C@H](COC)NC(=O)Nc1cccc(-c2ccccc2)c1 1117362727 SJJXAJGZVBOJBE-MRXNPFEDSA-N 296.370 3.676 30 20 CHED COc1cc(C)ccc1C(C)=NNc1nccnc1C(C)C 773090464 HIRYTYUZYODVFM-UHFFFAOYSA-N 298.390 3.753 30 20 CHED CC(C)CNN=C[C@H](C)c1cccc(Br)c1 771557407 FIDMYXIEWUMWBM-NSHDSACASA-N 283.213 3.784 30 20 CHED COc1cc(/C=C2/Oc3ccccc3C2=O)ccc1C 773141241 WKURYEXHFOUFDA-MHWRWJLKSA-N 266.296 3.620 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)CC#Cc1ccccc1 1116270403 RSSPIIIGFDSOLY-INIZCTEOSA-N 269.388 3.513 30 20 CHED COC[C@@H](C)C(C)=NNc1ccc(C)c(Cl)c1 1116488959 JQYYGYXMJMMNOE-SNVBAGLBSA-N 254.761 3.719 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1cscn1 776193547 RAMLDPJUHCMRJN-AATRIKPKSA-N 266.325 3.587 30 20 CHED CCC(Cc1cccs1)=NNc1cccc(OC)n1 779817162 NSIRMEIVUVWSCS-UHFFFAOYSA-N 275.377 3.572 30 20 CHED Cc1cccc(C)c1NC(=O)Cc1ccccc1CC#N 776740158 YFAZODTZQWUAKP-UHFFFAOYSA-N 278.355 3.551 30 20 CHED C#CC[C@H](NCCOc1cccc(C)c1)c1ccccc1 775400566 PVCCDNBRWAJSCN-IBGZPJMESA-N 279.383 3.728 30 20 CHED Fc1ccc(C=NNc2nc(-c3ccccc3)cs2)cn1 777429927 OEEXNAIFVFJHAP-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C=C1CCC(C(=O)OCc2cccc(C(C)=O)c2)CC1 885649526 AJVDKBCPQREHJH-UHFFFAOYSA-N 272.344 3.679 30 20 CHED N#Cc1cc(NC(=O)c2cc(F)cc3ccoc23)ccc1F 1125726832 UQNSVMJSAUWBRX-UHFFFAOYSA-N 298.248 3.835 30 20 CHED C=C1CCC(C(=O)NC2(c3ccc(OC)cc3)CC2)CC1 888899117 XQAFZDWWSLISLJ-UHFFFAOYSA-N 285.387 3.547 30 20 CHED CCn1c(CCCC#N)nnc1N(C)c1cccc(C)c1C 1121759202 OIIJVZTZJFFNOA-UHFFFAOYSA-N 297.406 3.529 30 20 CHED CCC(CC)NN=Cc1c(F)cccc1OC(F)(F)F 789021371 WWTCELVOAOXILH-UHFFFAOYSA-N 292.276 3.836 30 20 CHED CC(C)(C#N)CN[C@@H](c1cccc(Cl)c1)c1ccccn1 782174924 HYEVPKZDFRLNPN-INIZCTEOSA-N 299.805 3.964 30 20 CHED Cc1ccc(C(F)(F)C(=O)OCCCC(C)(C)C#N)cc1 784603046 FWZLQVSIWKKOKU-UHFFFAOYSA-N 295.329 3.960 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCO[C@@H](CC)C1 780137000 IOGVPCATVSPAGT-KGLIPLIRSA-N 256.386 3.705 30 20 CHED C=C1CCC(C(=O)O[C@@H](C2CC2)C(F)(F)F)CC1 892843229 YBDYTICIIIZBOE-NSHDSACASA-N 262.271 3.617 30 20 CHED C=C1CC(c2noc([C@@H](C)c3c(F)cccc3F)n2)C1 896883428 PCDSZCLOWLUZMU-VIFPVBQESA-N 276.286 3.933 30 20 CHED C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 94591530 IQUPKHMLULBMGD-LLVKDONJSA-N 267.288 3.640 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(C)c2snc(C)c2C#N)CC1 891427689 FZPHLAVZZOSWQH-HAQNSBGRSA-N 291.420 3.502 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 787877364 IILFLBHFZXGINA-BPQIPLTHSA-N 298.430 3.684 30 20 CHED Cc1cccc(F)c1NN=Cc1scnc1C1CC1 782271413 FIYQWPLMXLVARB-UHFFFAOYSA-N 275.352 3.914 30 20 CHED C=C1CN(C(=O)C[C@@H](Cc2ccccc2)c2ccccc2)C1 898698270 IXRPYIWIHPDYJZ-LJQANCHMSA-N 291.394 3.801 30 20 CHED C[C@H](CCC#N)CNCCC1CCC(F)(F)CC1 898031734 MZBWHORMEHYHCC-GFCCVEGCSA-N 258.356 3.731 30 20 CHED C#CCC(C)(C)c1nc([C@H](C)c2cccc(F)c2)no1 897079304 WDYKLYRFMMLNSF-LLVKDONJSA-N 272.323 3.661 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1ccc(F)cc1C#N 103140762 ZNGWJENFOFKQIK-NSHDSACASA-N 274.364 3.952 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2cc(Cl)cs2)c1 782354452 MTOCWXMFXBXKDI-IHWYPQMZSA-N 296.731 3.677 30 20 CHED CSCCON=C(C)c1ccc2c(c1)CCCC2 794574502 GQRIBTLENWNCSS-UHFFFAOYSA-N 263.406 3.669 30 20 CHED Cc1cccnc1NN=CCSCc1ccccc1 790192956 LKGAMUYOCJJCOY-UHFFFAOYSA-N 271.389 3.721 30 20 CHED CC(C)CN(CCC#N)C(=O)CCSc1ccccc1 701164438 QTIHMEKNDGRZIZ-UHFFFAOYSA-N 290.432 3.567 30 20 CHED C=CCCC(C)(C)NCc1ccncc1Br 631178903 OWCBEFJGVIZAPI-UHFFFAOYSA-N 283.213 3.679 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc2n[nH]cc2c1 794902374 WAFJGDWVNMSANX-LBPRGKRZSA-N 278.359 3.638 30 20 CHED C[C@H](NN=Cc1cc(O)ccc1Br)C(C)(C)C 793111806 LYBBBLDAGUEVIK-VIFPVBQESA-N 299.212 3.513 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C1=CC[C@H](C)CC1 1136679595 WCZJCGAVVYINHB-AWEZNQCLSA-N 276.424 3.911 30 20 CHED CCC1(CC)C(=NNc2cccc(Cl)n2)C[C@H]1OC 793176065 XUUUYMOYMCARIO-LLVKDONJSA-N 281.787 3.728 30 20 CHED N#CC1(NC(=O)c2csc3c2CCCC3)CCCCC1 78287774 MWLMBIHCUYWUNR-UHFFFAOYSA-N 288.416 3.583 30 20 CHED C=C(C)CS(=O)(=O)N[C@@H](CCCCC)c1ccccc1 790017158 YEIDQUXUPPWKPC-INIZCTEOSA-N 295.448 3.804 30 20 CHED FC(F)(F)CCNN=Cc1ccccc1C(F)(F)F 794548749 ZWOQSLOZMCFXBO-UHFFFAOYSA-N 284.203 3.581 30 20 CHED CCc1cccc2c1OC/C(=C\c1cc(C#N)cs1)C2=O 794728037 LVORYRKPANIAQF-NTUHNPAUSA-N 295.363 3.841 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2C#N)cc1C 799498168 GPOQRYXUGXHHOE-CLFYSBASSA-N 277.323 3.771 30 20 CHED CC(CCc1cccc(F)c1)=NNc1cccc(F)n1 795007042 OVJNSSVCBGYTMA-UHFFFAOYSA-N 275.302 3.780 30 20 CHED CC[C@H](C)CON=Cc1coc(-c2ccccc2)n1 793157800 CYJWUSPQRAGMCH-LBPRGKRZSA-N 258.321 3.738 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(OC(C)C)c(C(N)=O)c1 793379700 VYYLEGJZHKLTKL-QWHCGFSZSA-N 290.407 3.585 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=S)NN=C1CCC[C@@H]1CCF 794869945 GPYHPQZVQJUXGS-JHJVBQTASA-N 299.459 3.545 30 20 CHED CC(=NNC1CCCCC1)c1c(C)cc(C)cc1O 799886578 VXCDMEUNERSNGL-UHFFFAOYSA-N 260.381 3.655 30 20 CHED N#Cc1ccc(Cl)cc1OCc1csc(C(=O)O)c1 689112622 OLZOWAWAKRSPDA-UHFFFAOYSA-N 293.731 3.550 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N1CCC(C)(C#N)CC1 576825038 DNHUOPKNWDFIKU-OAHLLOKOSA-N 276.424 3.911 30 20 CHED C#CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1 763492314 VGKUMLLKSKQVPS-UHFFFAOYSA-N 283.158 3.623 30 20 CHED N#Cc1csc(CN[C@@H]2CCSc3ccccc32)c1 93492144 IKYHQYJWWOFBQR-CQSZACIVSA-N 286.425 3.946 30 20 CHED C[C@H](N[C@@H]1CCCC1(C)C)c1ccc(OCC#N)cc1 94322411 LCRMEHNSLNORMG-XJKSGUPXSA-N 272.392 3.818 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ccc(C#N)c([N+](=O)[O-])c1 94591762 BHSZCWSAYRTLBK-JTQLQIEISA-N 287.344 3.571 30 20 CHED COC(=O)c1ccc(S[C@@H](C#N)Cc2ccccc2)cc1 1317772887 VPXWEKNYZBTMCV-MRXNPFEDSA-N 297.379 3.700 30 20 CHED CC(C)(C)ON=Cc1c[nH]c2cc(Cl)ccc12 1319804161 YXWVCQRCXJPUJU-UHFFFAOYSA-N 250.729 3.970 30 20 CHED Cc1ccc(NC(=O)NCCCC#N)c(Cl)c1Cl 1320354399 ZIBVVKZXYDLTTJ-UHFFFAOYSA-N 286.162 3.727 30 20 CHED C=C[C@@H](COC)N[C@H]1CCSc2ccc(Cl)cc21 1321241319 MVDPSGNCAUCKRS-AAEUAGOBSA-N 283.824 3.668 30 20 CHED CCc1ccccc1NC(=O)NCc1ccc(C#N)c(F)c1 1187655279 SZCQDSZPNVVBBO-UHFFFAOYSA-N 297.333 3.581 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 1262607832 OOTYCIZWTWBBLT-LLVKDONJSA-N 280.437 3.974 30 20 CHED N#Cc1cnc(Nc2ccn(C3CCCCC3)n2)c(F)c1 1261365795 YRQCUHGEMKSJRX-UHFFFAOYSA-N 285.326 3.538 30 20 CHED CC1(CCC(=O)[C@H](C#N)c2nc(C3CC3)cs2)CC1 1348670247 QXQBWNVYFRJYAR-NSHDSACASA-N 274.389 3.777 30 20 CHED C[C@H](N(C)C(=O)c1cccc(SCC#N)c1)C(C)(C)C 1358325636 RDFGRCXYBXQGAJ-LBPRGKRZSA-N 290.432 3.809 30 20 CHED CC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 223625351 CYEVFXVDOWWMAC-QGZVFWFLSA-N 268.335 3.938 30 20 CHED CCC(C)(C)C1CCC(CC(=O)N(C)[C@H](C)C#N)CC1 1523779161 LBBUIHMZDJLFNR-WLYUNCDWSA-N 278.440 3.990 30 20 CHED CC(C)C1CCC(CNc2ccc(C#N)cn2)CC1 1458248970 SHPJCOYHVPJWEJ-UHFFFAOYSA-N 257.381 3.828 30 20 CHED CCC(CC)(CC)NC(=O)Nc1ccc(OC)c(C#N)c1 1467168071 OBHGYPVVPAGQRK-UHFFFAOYSA-N 289.379 3.657 30 20 CHED C[C@H](NC(=O)NCC(C)(C)CC#N)C1CCCCCC1 1469739431 QBWCAZKRNWIBII-ZDUSSCGKSA-N 279.428 3.584 30 20 CHED N#Cc1ccc([C@H](SCC2CCCC2)C(=O)O)cc1 1608203520 OPZMDLHSGOVGCL-AWEZNQCLSA-N 275.373 3.607 30 20 CHED C=C(Cl)COc1cc(C(F)(F)F)ccc1F 1613869133 RNMFILRWMSHZNA-UHFFFAOYSA-N 254.610 3.976 30 20 CHED CCCCCCCCCC(=O)NCC1(O)CCCCC1 115634796 OIYJHDDRGHVQTO-UHFFFAOYSA-N 283.456 3.939 30 20 CHED Cc1cc(C)cc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1 18055085 LTMICNATIGGGAJ-UHFFFAOYSA-N 267.288 3.827 30 20 CHED CSC1(CNc2cc(Cl)ccc2C#N)CCC1 227986824 ZYDGTOZZARXOII-UHFFFAOYSA-N 266.797 3.909 30 20 CHED CCc1ccc2c(c1)CCN(Cc1ccc(CC#N)cc1)C2 1620683760 RBKBMLZHYUJJIH-UHFFFAOYSA-N 290.410 3.873 30 20 CHED CC(C)c1ccc(CCN2CCC[C@](C)(C#N)C2)cc1 1560702772 FEGARKUFRCKGDY-GOSISDBHSA-N 270.420 3.978 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)NCC1(C#N)CCC1 1564927246 PLXBGXRIUMKEFU-LSDHHAIUSA-N 291.439 3.586 30 20 CHED C[C@H](CCSc1ccccc1)N1CCC[C@H](C#N)C1 1644439991 URWUMHDKQRMVKI-HUUCEWRRSA-N 274.433 3.793 30 20 CHED C[C@H](NC[C@@H]1CC[C@@H](C)C1)c1ccc(OCC#N)cc1 230406360 BVXKWFMGJSDUJJ-QLFBSQMISA-N 272.392 3.676 30 20 CHED COC(=O)[C@H]1CCCC[C@H]1CSc1cccc(C#N)c1 1651840587 VOFOSCOGFWZTHR-ZFWWWQNUSA-N 289.400 3.630 30 20 CHED Cc1cc(CN2CCc3ccccc3[C@@H]2C)ccc1C#N 1658209869 HILMQAUKKAVCRY-HNNXBMFYSA-N 276.383 3.986 30 20 CHED Cc1cc(N2CCC(C)(CC(C)C)CC2)c(C#N)cn1 1655537489 VBMLUARGKSRHMO-UHFFFAOYSA-N 271.408 3.914 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC1CC2(CCCC2)C1 1659092177 MJSGLTMKGPTTED-QGZVFWFLSA-N 266.388 3.858 30 20 CHED CCc1nc(C#N)cc(Sc2ccc(Cl)c(F)c2)n1 1651218887 BLIRLYYVEPYFCR-UHFFFAOYSA-N 293.754 3.854 30 20 CHED C=CCCCCCN(C)c1ncnc2cc(C(=O)O)ccc12 1776173037 LJOUUJCIOBIHMW-UHFFFAOYSA-N 299.374 3.511 30 20 CHED O=C(O)c1ccc(NN=Cc2ccccc2C2CC2)cc1F 1776074246 PZGQYYPQCSRMRV-UHFFFAOYSA-N 298.317 3.847 30 20 CHED Cc1oc2ccccc2c1C(=O)/C=C\c1cc(C(=O)O)co1 1777559849 LNZWMYWCJROGGC-SREVYHEPSA-N 296.278 3.929 30 20 CHED C=C(C)C[C@H](NCc1ccc(CC2CCC2)cc1)C(=O)O 1776137555 HXNXSYKSZSMHEY-KRWDZBQOSA-N 287.403 3.538 30 20 CHED CSc1ccc(NCc2cccc(C#N)c2)cc1 19906353 LJZPUMKAOJOBQH-UHFFFAOYSA-N 254.358 3.892 30 20 CHED C=CCN(C)C(=O)c1cc(-c2ccco2)nc2ccccc12 161417402 LJYSPSYZCVRPQX-UHFFFAOYSA-N 292.338 3.753 30 20 CHED C=CCN(C)C(=O)c1ccccc1Oc1ccccc1 161884105 NKRQETVTUAJYQH-UHFFFAOYSA-N 267.328 3.737 30 20 CHED CCCCOCCOc1ccc(Br)cc1C#N 167758198 CSGMOXLSFIMJCZ-UHFFFAOYSA-N 298.180 3.516 30 20 CHED Cc1cc([C@H](N[C@H]2CC[C@H](C#N)C2)C2CC2)ccc1F 274594061 FXIAYCNWFNNVQH-YLQAJVPDSA-N 272.367 3.867 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccnn1C(C)C 153292212 YGXVQOUKYLCWJI-UHFFFAOYSA-N 278.400 3.674 30 20 CHED N#Cc1ccc(C(=O)N2CCCc3ccccc32)cc1Cl 153463077 IRBVQCNLSXPCMK-UHFFFAOYSA-N 296.757 3.805 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F 157279219 HIXZXLNBOUOEAA-ZDUSSCGKSA-N 292.329 3.535 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 156547699 UKKSTEVBUXAVLC-MRXNPFEDSA-N 272.392 3.726 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccc(F)cc1F)C(C)C 156789833 FLBJZFFZQJEUFU-AWEZNQCLSA-N 282.334 3.537 30 20 CHED CCCN(Cc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 126626200 BRVVMGIHLIAISA-LJQANCHMSA-N 294.398 3.504 30 20 CHED N#Cc1sc(NCCC2CC(F)(F)C2)nc1Cl 840315004 RGUHNZOTXHDEFX-UHFFFAOYSA-N 277.727 3.515 30 20 CHED CCN(CCc1cccs1)c1cccc(F)c1C#N 1162669702 NCNWIRSGTDJHBP-UHFFFAOYSA-N 274.364 3.828 30 20 CHED C[C@@H](Cc1ccccc1Cl)NCc1ccc(C#N)o1 135149267 MJRHYBWEXQWPAM-NSHDSACASA-N 274.751 3.525 30 20 CHED CC(C)(C)C[C@H]1CCN(Cc2ccc(F)cc2C#N)C1 1307847891 PSTTXXHOYXGCLB-CYBMUJFWSA-N 274.383 3.955 30 20 CHED C[C@@H](CCNCc1ccc(C#N)s1)c1ccccc1 135688777 APYJPBLMFLBIII-ZDUSSCGKSA-N 270.401 3.903 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 136258613 DCNQYASUTIYUOK-CJNGLKHVSA-N 264.413 3.601 30 20 CHED C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(C#N)cc1 20129738 ZOCIJOHTHNQSJU-ACJLOTCBSA-N 262.356 3.896 30 20 CHED N#Cc1cccc(CN[C@H](c2ccccc2)C2CC2)c1 35054093 WUDAHWGRJOVFIH-GOSISDBHSA-N 262.356 3.799 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2ccccc12)C(C)(C)C 162440660 VPJOLFZGJQVSDZ-UHFFFAOYSA-N 270.376 3.524 30 20 CHED CCSCC[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 164591838 FUNCTUMGWJVUBN-ZIAGYGMSSA-N 292.448 3.771 30 20 CHED C[C@@H](Nc1ccsc1[N+](=O)[O-])c1ccc(C#N)cc1 49065582 KFUVXJPGLYWSKI-SECBINFHSA-N 273.317 3.701 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)CCO1 286590192 UAXWXSJKVULEGW-WCBMZHEXSA-N 299.827 3.674 30 20 CHED C[C@H](c1ccccc1F)N(C)Cc1ccccc1C#N 52073730 CIKRBOXNBNHREQ-CYBMUJFWSA-N 268.335 3.890 30 20 CHED Cc1cc(C#N)cc(NCc2ccc(C)c(F)c2)c1 308113221 REMIZSRJJMDMES-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=CCCCCCCNc1ccccc1S(C)(=O)=O 312066733 LGAJQKHXRATXQE-UHFFFAOYSA-N 281.421 3.639 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cc1C)C1CCC1 325027067 KRPZZRMBPRRIQT-QGZVFWFLSA-N 256.393 3.925 30 20 CHED CCC1(CC)CCC(/N=C(/O)[C@H]2CCC(O)=N2)CC1 330028494 OPPYANKUSPTHDL-GFCCVEGCSA-N 266.385 3.811 30 20 CHED C=C(CN[C@H]1CCCc2occc21)c1ccccc1 447546437 VWVXSMPBCSFBJE-INIZCTEOSA-N 253.345 3.960 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C#N)cs1 92261664 SYFBGIPLHQEKSD-UHFFFAOYSA-N 268.385 3.808 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1ncc(C#N)cc1Cl 359016366 FYPWPLNCSYGBSW-NEPJUHHUSA-N 281.812 3.693 30 20 CHED CS[C@H]1CC[C@H](N(C)c2nc(C)c(C#N)cc2Cl)C1 707248693 ICXDVSKTBXQXDR-RYUDHWBXSA-N 295.839 3.635 30 20 CHED N#CC[C@H]1CCCN(C(=O)CCCC2CCCCC2)C1 597918158 LAPBBPWLEZAVDD-MRXNPFEDSA-N 276.424 3.889 30 20 CHED OCCC[C@H]1CCCCC1=NOCc1ccccc1 814792600 VHSMAQPYEBEUFP-OAHLLOKOSA-N 261.365 3.522 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)[C@@H]2CCC[C@H]21 399240623 UBBYFIYOLYDWMV-IAGOWNOFSA-N 268.404 3.763 30 20 CHED N/C(Cc1ccccc1)=N\OCc1ccc(F)cc1Cl 108448652 ZTVCDXUGVHNHRL-UHFFFAOYSA-N 292.741 3.511 30 20 CHED N#Cc1ccc(NCCCCF)cc1C(F)(F)F 310608060 AVIZOKMCDVQXBS-UHFFFAOYSA-N 260.234 3.739 30 20 CHED CC1(C)Cc2cc(CNCc3cccc(C#N)c3)ccc2O1 103340247 LCIDVRMQVTZHRZ-UHFFFAOYSA-N 292.382 3.562 30 20 CHED Cc1cccc(N(C)CCOc2ccc(C#N)cc2)c1C 59423618 IMXXDHKNDIVJDH-UHFFFAOYSA-N 280.371 3.690 30 20 CHED Cc1cnc(SCC#Cc2cccc(Cl)c2)nc1 178751863 IWHCDQXCUHKXGO-UHFFFAOYSA-N 274.776 3.582 30 20 CHED C=CC1CCN(C(=O)c2cc3cc(F)ccc3o2)CC1 117660980 KWCQFXSXHPDSCA-UHFFFAOYSA-N 273.307 3.610 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1[C@@H]2CCC[C@@H]12 178230496 AFKIMCLKZALIKV-HUUCEWRRSA-N 261.409 3.627 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)c2ccc(Cl)cc2)n1 308174530 CXYFOBDRBPFIKN-JTQLQIEISA-N 286.766 3.737 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OCCC)cc1C 117002566 YOOWJXDUDYKNDZ-ZDUSSCGKSA-N 276.380 3.870 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)CC#N 170945948 JQRWNXHNJQSFNQ-VHSXEESVSA-N 299.201 3.590 30 20 CHED C[C@H](SCC(=O)Nc1ccccc1)c1ccc(C#N)cc1 118445896 RPKXHFQKLFDXIE-ZDUSSCGKSA-N 296.395 3.991 30 20 CHED CCCCCCCCCC(=O)NC1CCC(=O)CC1 115063546 MAHHVAJVGVWVBN-UHFFFAOYSA-N 267.413 3.755 30 20 CHED C=CC[C@H](C)NC(=O)Cc1ccc(Cl)cc1Cl 116850948 NGPLUTWYVJXOQM-VIFPVBQESA-N 272.175 3.617 30 20 CHED CC(C)COc1cccc(CNc2ccc(C#N)cn2)c1 57149156 OWOKRDLWNDYMFA-UHFFFAOYSA-N 281.359 3.600 30 20 CHED CCN(Cc1cccc(OC)n1)[C@H](C)c1ccc(C#N)cc1 171859663 BIJIMJGYKIJUKK-CQSZACIVSA-N 295.386 3.545 30 20 CHED C=CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1 102234158 YUNBJXUHKQRFPE-UHFFFAOYSA-N 294.354 3.844 30 20 CHED Cc1ccccc1CCC(=O)Nc1cccc(C#N)c1C 178376424 ZFEXRPWFSOYPEY-UHFFFAOYSA-N 278.355 3.746 30 20 CHED C#CCCCCC(=O)NCC(C)(C)c1cccc(Cl)c1 119763639 QHOARMGNLXUBHQ-UHFFFAOYSA-N 291.822 3.927 30 20 CHED Cc1ccoc1C(=O)/C=C/c1c[nH]nc1C(C)(C)C 119031649 WVHGXCZGWIQOPF-AATRIKPKSA-N 258.321 3.505 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCCCC1 171136477 PJWJQJFZASTCGS-UHFFFAOYSA-N 288.395 3.523 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1cc(C)cc(C)c1 177868602 AHKXGZSSMRIAJI-CYBMUJFWSA-N 263.406 3.940 30 20 CHED C=CCCC(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 174651267 FNPZPWHAZJAACS-UHFFFAOYSA-N 291.347 3.905 30 20 CHED C[C@@H](CC#N)OC(=O)c1sccc1-c1ccccc1 113696090 KYUHZCBKJKJFAT-NSHDSACASA-N 271.341 3.874 30 20 CHED C[C@@H](NC(=O)NCCCCC#N)[C@H](C)C1CCCCC1 178658833 VMHAEJJBMPELAS-UONOGXRCSA-N 279.428 3.584 30 20 CHED C=CCCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 117872364 BCRWKPDPUWMQOI-UHFFFAOYSA-N 298.430 3.509 30 20 CHED C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(C#N)cc1 63238137 BRPKULGOFKXASR-GFCCVEGCSA-N 282.318 3.531 30 20 CHED C=CCCCC(=O)N[C@H](c1ccccc1)c1cccnc1 175564616 SFEISIYFECOQQP-GOSISDBHSA-N 280.371 3.644 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 116972761 IVDDWRZOEBEBHF-OFQRWUPVSA-N 272.392 3.539 30 20 CHED C=C(C)CNC(=S)Nc1cccc(OCCC(C)C)c1 64371714 XKKNYWRJCDVJMH-UHFFFAOYSA-N 292.448 3.974 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1cccc(C)c1C 115859839 HSHVKDXOEZKSEF-HNNXBMFYSA-N 272.392 3.748 30 20 CHED Cc1sc(NC(=O)CNc2cccc(C#N)c2)c(C)c1C 172850560 OUAAWSSOGVVXBN-UHFFFAOYSA-N 299.399 3.596 30 20 CHED C=C(C)CN(CC)CC1CCN(C(=O)OC(C)(C)C)CC1 113499244 OXMQTHGHEDMZII-UHFFFAOYSA-N 296.455 3.532 30 20 CHED C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C#N)cc1 172113127 OWADLMCTIIUIQM-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED CCN(CC)/C(N)=N/CC(C)(C)CCCc1ccccc1 304762267 VLKGKVUMYMXGLQ-UHFFFAOYSA-N 289.467 3.692 30 20 CHED CC(C)c1cccc(N/C(N)=N/CCCC2CC2)c1 304759384 RCAVZRVPOABQRG-UHFFFAOYSA-N 259.397 3.727 30 20 CHED Cn1c(-c2ccccc2)cnc1Sc1ncccc1C#N 301059272 KNJOQWXMSMDUSI-UHFFFAOYSA-N 292.367 3.505 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)c1ccccc1F 178625128 BNAUGUCATIWFPY-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)[C@@H]1C 302276992 IZFKRIRZBLZYKD-VHSXEESVSA-N 268.282 3.812 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1sccc1C 62904464 SSBKHNSLHYDWGU-UHFFFAOYSA-N 296.395 3.757 30 20 CHED CC[C@]1(C)CN(c2ccc(C(F)(F)F)c(C#N)c2)CCO1 302689331 UWBIJGXYQMYLCE-CQSZACIVSA-N 298.308 3.582 30 20 CHED N#CCN(C(=O)c1cccc(Oc2ccccc2)c1)C1CC1 65895342 WNUIJUGTFAUVMY-UHFFFAOYSA-N 292.338 3.607 30 20 CHED COc1ccc([C@H](C)N(C)Cc2cc(C#N)ccc2F)cc1 30002576 AQHFNLQXYUGLOU-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(N(CC)C(C)C)cc1 184896003 DBYTUOCIGMQHDK-UHFFFAOYSA-N 286.419 3.909 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 36991895 CAJSHMBAJINFLV-OKILXGFUSA-N 275.355 3.842 30 20 CHED C#CCCCCC(=O)N(CC(F)(F)F)c1ccccc1 182799008 DYKGMAQVUUCRJH-UHFFFAOYSA-N 283.293 3.776 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCC[C@@H]1CCCCO1 184307066 DEDPPLOSVOZCBQ-HUCUOGIVSA-N 298.386 3.709 30 20 CHED Cc1csc([C@@H](C)Nc2cc(C#N)cc(Cl)n2)n1 122818906 NHXPKKFQHCRBEU-MRVPVSSYSA-N 278.768 3.545 30 20 CHED C=C(C)COc1cccc(NC(=O)C(C)(C)CSC)c1 503357863 WUSNWQSSIQQJTH-UHFFFAOYSA-N 293.432 3.969 30 20 CHED C#CCNC(=O)c1ccc(C)cc1Sc1ccccc1 181782611 OLQBCLRVPPXKII-UHFFFAOYSA-N 281.380 3.509 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C1CCC=CCC1 602094945 XYEVLEAQVGICPJ-UHFFFAOYSA-N 262.397 3.521 30 20 CHED C=C(C)CCc1noc(CCn2ccc3ccccc32)n1 508645345 MHHAPXWVBDDVTB-UHFFFAOYSA-N 281.359 3.776 30 20 CHED CC(C)OC1CCC(N[C@H](C)c2cccc(C#N)c2)CC1 182063566 KVCJKQBKHBXDMW-RWBZWWBESA-N 286.419 3.945 30 20 CHED CC[C@@H](CC#N)N[C@H](C)c1cccc(Br)c1 38012421 BSGFRRXTEIGWNO-MFKMUULPSA-N 281.197 3.792 30 20 CHED COC1(CNc2cc(C#N)ccc2C(F)(F)F)CCC1 129359199 OFLQXXRVDYQNEO-UHFFFAOYSA-N 284.281 3.558 30 20 CHED CCN(C(=O)c1coc(C)c1)c1ccc(C#N)c(Cl)c1 189588880 XNOWOLWVCALRID-UHFFFAOYSA-N 288.734 3.780 30 20 CHED CCCN(CCC)C(=O)Nc1ccccc1O[C@@H](C)C#N 180098902 QAODDNGAZHDVOE-ZDUSSCGKSA-N 289.379 3.631 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1oc2c(Cl)cccc2c1C 127418035 KINOSJPHZZLHOC-HNNXBMFYSA-N 290.750 3.817 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)s1 35256395 FDHDQQLTCFSDAX-LBPRGKRZSA-N 256.374 3.779 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccncc1 181417219 SNRUVPHOHSDWJQ-ZIAGYGMSSA-N 275.396 3.529 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1C 186315219 FMZIGMHWAJGHKC-SFHVURJKSA-N 279.387 3.845 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc2oc(C3CC3)nc2c1 184558867 DAYUXOGHTXQLML-NSHDSACASA-N 298.346 3.519 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cc2ccccc2s1 446925736 RNAFEJFWJLLRLZ-QWHCGFSZSA-N 275.417 3.737 30 20 CHED CCC[C@@H]1C[C@@H](C(=O)N(CCC#N)C(C)(C)CC)CCO1 189908430 NPRYSLNETCNNHR-LSDHHAIUSA-N 294.439 3.513 30 20 CHED Cc1c(NC(=O)NCC(C)(C)CCC#N)ccc(F)c1F 417500578 AQIGEWWBWIELPB-UHFFFAOYSA-N 295.333 3.725 30 20 CHED C=CCN(C)C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 413698379 GSCRLUYOTOAOBS-ZFWWWQNUSA-N 292.810 3.804 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(CC(F)(F)F)c1 185710025 UGWSPHOSCKYFEZ-UHFFFAOYSA-N 283.293 3.779 30 20 CHED Cc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1Cl 185898877 QPSDOEIWDAIFPE-JSGCOSHPSA-N 262.784 3.820 30 20 CHED CCn1cc(C(=O)O[C@H](C#N)C(C)(C)C)c2ccccc21 184919469 QBXZJBVWAVTFIO-OAHLLOKOSA-N 284.359 3.756 30 20 CHED CCCC[C@@H](C)C(=O)N(CCC#N)C(C)(C)CC 337021364 WWHJYRPTODGRNW-CYBMUJFWSA-N 252.402 3.744 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 79720661 KMOUQWOZYMJWMT-KRWDZBQOSA-N 295.342 3.707 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CSCCC(C)C 189916116 JXNOEJQTQOFIOM-UHFFFAOYSA-N 284.469 3.697 30 20 CHED C=CCn1c(-c2ccccc2F)nnc1N(C)CCCC 508492034 IEULVEGAFPJQGO-UHFFFAOYSA-N 288.370 3.507 30 20 CHED C=CCC[C@H](CCC)Nc1cccc2c1CCNC2=O 414314630 DLPUVTNJSOYZOQ-ZDUSSCGKSA-N 272.392 3.519 30 20 CHED CCC1CCC(/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CC1 329858860 OIBBTJVOEWTQJN-PIMMBPRGSA-N 288.391 3.931 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccccc1OC(F)F 414159384 BHZHNLDMWMRYAH-NSHDSACASA-N 282.334 3.878 30 20 CHED Cn1cnc(-c2cccc(N=C(O)[C@@H]3CC34CCCC4)c2)n1 329352831 XSVZRWKKBFCAPP-AWEZNQCLSA-N 296.374 3.650 30 20 CHED CC1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCCC1 416103278 ORZUUECSXMCAPD-MRXNPFEDSA-N 282.387 3.632 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1C 194584410 YNIUGNDQORJAAG-CJNGLKHVSA-N 285.391 3.909 30 20 CHED Cc1ccc(Br)cc1OCC1(CC#N)CC1 228334220 ARQPLULGEOYIDO-UHFFFAOYSA-N 280.165 3.830 30 20 CHED CC1(C)CCC[C@@H](C(O)=Nc2nc3cccnc3[nH]2)C1 328881140 WJMMKHREGQVCCS-SNVBAGLBSA-N 272.352 3.762 30 20 CHED CCCn1nc(C)c(CNc2ccc(F)c(C#N)c2)c1C 191841623 HUMGIUISDMIPKA-UHFFFAOYSA-N 286.354 3.533 30 20 CHED C[C@H](Nc1ncccc1C#N)c1cccc(N2CCCC2)c1 88758906 JTRAORFVHJJLSM-AWEZNQCLSA-N 292.386 3.727 30 20 CHED C=C(C)CN=c1[nH]c(-c2ccc(C)s2)cs1 381510514 QVWZEMBNJVWJKO-UHFFFAOYSA-N 250.392 3.590 30 20 CHED CCN(CCC#N)Cc1ccccc1Oc1cccnc1 81040616 VDWLSMGPPHLJKW-UHFFFAOYSA-N 281.359 3.609 30 20 CHED CCC[C@H](C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425124088 DVWZLCAFYDKRAW-UONOGXRCSA-N 272.392 3.904 30 20 CHED C[C@@]1(CNc2ccc(C#N)c(Cl)c2)C[C@H]2CC[C@H]1O2 425284356 QKYXDOGRCATTBS-YUELXQCFSA-N 276.767 3.581 30 20 CHED C=CCC1(C(=O)Nc2scc(C(=O)OC)c2C)CCC1 190021469 XSTHWQYITGWLRO-UHFFFAOYSA-N 293.388 3.528 30 20 CHED Cc1nccc(C/N=C(/O)[C@H]2CCSc3ccccc32)n1 329595935 IJLUFLCFEOGGGX-AWEZNQCLSA-N 299.399 3.521 30 20 CHED C=CCc1cccc(F)c1OC[C@@H]1C[C@H]2CC[C@H]1O2 424097038 DPJSUHORMVMUGZ-GZBFAFLISA-N 262.324 3.501 30 20 CHED CCC(CC)n1ccc(COc2ccc(C#N)cc2F)n1 227061403 HXFKKAIONYJZOR-UHFFFAOYSA-N 287.338 3.834 30 20 CHED CCc1cc2c(NCc3cccc(C#N)c3)ncnc2s1 42103890 OBGSGZYMPIYYIP-UHFFFAOYSA-N 294.383 3.737 30 20 CHED Cc1nc2ccc(N=C(O)[C@@H]3C[C@H]3C3CCCCC3)cn2n1 328750836 CFIBROWWQSUCJI-LSDHHAIUSA-N 298.390 3.842 30 20 CHED CC(C)N(C(=O)Cc1c(F)cccc1C#N)c1ccccc1 511726583 JKIRPPLOXRJBIN-UHFFFAOYSA-N 296.345 3.681 30 20 CHED Cc1cc(CN2Cc3ccccc3O[C@@H](C)C2)ccc1C#N 429120840 CRWNWKCAUMTPOT-HNNXBMFYSA-N 292.382 3.650 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccnc(Cl)c1 195411566 MAOWQUBUWGVTSA-UHFFFAOYSA-N 297.789 3.795 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1cc(C)sc1C)OCC 339419801 RMOCOMCKLBIXIW-DOMZBBRYSA-N 295.448 3.913 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](C3CC3)C2)c1 333594838 BZBRGVVISAIWNV-HNNXBMFYSA-N 283.375 3.521 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 424976056 IXLNYYORKZMZTN-CBBWQLFWSA-N 276.424 3.647 30 20 CHED N#CCc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1 336470077 ZLLWNWCFFVJHAC-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)CSc1ccc(F)cc1 426663989 OXINPSHKUJBKJQ-ZDUSSCGKSA-N 293.407 3.755 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@@H](C)CC 191678999 FFEGURAPMXXJGT-LBPRGKRZSA-N 251.395 3.699 30 20 CHED Cn1ccc2ccc(NCCCC(C)(C)C#N)cc21 190591617 KCWUZAJPWSCGKD-UHFFFAOYSA-N 255.365 3.920 30 20 CHED C[C@@H](NCc1ccc(Cl)cc1C#N)c1ccncc1F 338339897 AWMSFWVNWKLGQL-SNVBAGLBSA-N 289.741 3.597 30 20 CHED N#Cc1ccc(N2CC3(CCC3)c3c(F)cccc32)nc1 338407553 VDYVFLFLODDLFN-UHFFFAOYSA-N 279.318 3.666 30 20 CHED C=C(Cl)CN[C@@H](C)c1sccc1Br 161755142 SHDWQTHIBVPWRJ-ZETCQYMHSA-N 280.618 3.914 30 20 CHED CCS[C@@H]1CCCC[C@@H]1N=c1[nH]ccc(C#N)c1Cl 429204859 YTFBPGXAYIADTE-NWDGAFQWSA-N 295.839 3.505 30 20 CHED N#CCc1cccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 333225705 XCSWFTVURIGPIF-BFYDXBDKSA-N 297.402 3.843 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ncc(Br)cc1C 425530434 AUFKUFZDFCBKJR-UHFFFAOYSA-N 297.196 3.693 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)[C@H]2CCCO[C@H]2C)[nH]1 330042564 CEFVAUNIYLXIII-STQMWFEESA-N 299.374 3.788 30 20 CHED C=CCCCCCN[C@@H](C)c1ccc2n[nH]cc2c1 513219850 VUCOKMFKCNPPKJ-ZDUSSCGKSA-N 257.381 3.960 30 20 CHED C=C(C)CNCc1ccc(OCCCC)c(OCC)c1 512355411 WLTOHOWGBIBRMP-UHFFFAOYSA-N 277.408 3.930 30 20 CHED CC(C)[C@H]1CCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC1 332238124 SMYZNFBJLGLQIO-DOTOQJQBSA-N 299.418 3.893 30 20 CHED Cc1cc(C)c(CCNCc2cc(C#N)cs2)c(C)c1 237811378 UNGFQNIBCUPHOR-UHFFFAOYSA-N 284.428 3.877 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1C#N 96618017 HNOAHCOSVDAHCQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cccc(CN(CC(C)C)c2ccc(C#N)cc2)n1 342649008 FYZLSIJTCDIQSO-UHFFFAOYSA-N 279.387 3.924 30 20 CHED C=CCCCSCc1cnn(C)c1C(F)(F)F 340865504 SIGMIYLOCWUZNY-UHFFFAOYSA-N 264.316 3.638 30 20 CHED Cc1cc(N2CCC[C@H](c3ccccc3)C2)cc(C#N)n1 431496189 SMKSEGMPNFGMFQ-INIZCTEOSA-N 277.371 3.646 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247656794 PRAZZOQNFNMFGZ-YXAMBPQSSA-N 294.398 3.718 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2cnccc2C)n1 340816045 HOAZRAWNOOZENG-VOTSOKGWSA-N 269.348 3.797 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 527326216 ICCOAFHBWZSNNR-GRDNDAEWSA-N 281.440 3.546 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)o2)n1 341178317 VDUKQITXXOBWOW-CMPLNLGQSA-N 271.320 3.885 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)cn1 343253015 SKASQWHCFWRPRA-JTQLQIEISA-N 286.297 3.575 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1ccc(OC(F)F)cc1 602512212 RXOKTIFZAJEICI-NEPJUHHUSA-N 282.334 3.878 30 20 CHED Cc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1F 348089383 VKLPLVSVOYITLO-UHFFFAOYSA-N 277.343 3.586 30 20 CHED CCCN(CCc1cccs1)C[C@H](C)CCC#N 602615579 FZJIFEBVQCGILY-CQSZACIVSA-N 264.438 3.942 30 20 CHED C[C@@H](CCC#N)CN1CCSC[C@@H]1c1ccccc1 602440928 JQYQCDZRWLFVCW-GOEBONIOSA-N 274.433 3.716 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@]12CCc1ccccc12 252733954 XPEGQARQWQZHJX-FNHZYXHNSA-N 283.415 3.752 30 20 CHED Cc1c(C#N)c(S[C@@H](C)c2ccncc2)nc2c1CCC2 609782433 ZYJPLKRSSOJLTP-LBPRGKRZSA-N 295.411 3.999 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1cccs1)C1CCCC1 538195100 OBEPFGSTYBMUGK-CJNGLKHVSA-N 279.449 3.754 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCCc2c(F)cc(F)cc21 602671561 LFJONWBPQGRDSA-BDJLRTHQSA-N 278.346 3.872 30 20 CHED C[C@H]1CCCC[C@H]1OCCN(CCC#N)CC(C)(C)C 525328110 YHDBJYNCEKACJY-JKSUJKDBSA-N 280.456 3.843 30 20 CHED CNC(=O)c1ccc(/C=C\C(=O)c2cc(C)sc2C)cc1 255360971 WLLIIUDYVJPBBF-TWGQIWQCSA-N 299.395 3.621 30 20 CHED Cc1ccccc1[C@H](C)c1noc(-c2cc(C#N)oc2C)n1 346791422 ZRHPDEIRSFLKDP-NSHDSACASA-N 293.326 3.970 30 20 CHED C=CCCN(C)C(=O)Nc1cccnc1-c1ccccc1 341654674 UBAYEYDBHLRSDA-UHFFFAOYSA-N 281.359 3.788 30 20 CHED CC#CCN1CCC(c2c(C)[nH]c3ccccc23)CC1 607724098 ARXRZMUDEXICKA-UHFFFAOYSA-N 266.388 3.679 30 20 CHED COc1cccc(/C=N\[C@H](CCC#N)c2ccccc2)c1O 254992044 WWCPJMDCULACBQ-FPXKJXHESA-N 294.354 3.865 30 20 CHED CN(CCCC(C)(C)C#N)Cc1cc(F)cc(F)c1 444689877 HSYOXLLYTCCNPP-UHFFFAOYSA-N 266.335 3.727 30 20 CHED CSc1cc(C)ccc1CNC[C@H](C)CCC#N 602567917 KUCXSMYHAYAQFG-CYBMUJFWSA-N 262.422 3.746 30 20 CHED C=CCOCCCSCCCC1CCOCC1 359150853 ZAMGCMFZLYLTNS-UHFFFAOYSA-N 258.427 3.519 30 20 CHED C=CCC1(C(=O)Nc2cccc(C(=O)OCC)c2)CCC1 357822196 CSLDRAOUFJFLMF-UHFFFAOYSA-N 287.359 3.548 30 20 CHED CC[C@H]1Cc2c(cccc2-c2cccc(C#N)c2)CN1 600775618 KJUQRDCSZIMZMS-INIZCTEOSA-N 262.356 3.650 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)C[C@H](C)CC 537266638 HTPFFOYLWPWUIF-ZIAGYGMSSA-N 254.418 3.809 30 20 CHED N#Cc1cccc(SCc2cccc(C#N)c2F)c1 539249075 FJWYHMIUABERSO-UHFFFAOYSA-N 268.316 3.861 30 20 CHED CC[C@H](C)n1ncc(NC(=O)Nc2ccc(C#N)cc2)c1C 359078239 JGJIBXFVXYKBOV-NSHDSACASA-N 297.362 3.678 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ncc(-c2ccccc2)o1 619526319 JALBMUOKSCONAO-ZDUSSCGKSA-N 281.359 3.686 30 20 CHED CO[C@H]1CCC[C@H]1CNc1cc(C#N)ccc1C(F)(F)F 539602893 UBNKURTUYHGMDX-FZMZJTMJSA-N 298.308 3.804 30 20 CHED C=CCCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 617615386 JZCVMRUQQVXHFP-SJORKVTESA-N 265.356 3.636 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nccc2ccccc12 615887366 VUEJSENOLHZJPD-INIZCTEOSA-N 254.333 3.776 30 20 CHED C=CCCCNC(=O)C[C@@H](c1cccs1)n1cccc1 357467041 AUZHOJQUUAZDIZ-AWEZNQCLSA-N 288.416 3.612 30 20 CHED Cc1cccc2cc(C(=O)N3CCC[C@@](C)(C#N)C3)oc12 612251715 REHJUSFVCILEMK-KRWDZBQOSA-N 282.343 3.507 30 20 CHED CN(C(=O)Cc1cc2ccccc2o1)c1ccc(C#N)cc1 610982898 LYSJNBJEFGIYNU-UHFFFAOYSA-N 290.322 3.510 30 20 CHED C[C@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccsc1 618787544 KOBLMHJWOYDTOJ-ZBEGNZNMSA-N 296.395 3.527 30 20 CHED CC(C)CN(CC(C)C)C(=O)Nc1ccc(F)cc1C#N 530960391 KUUKRAOCJZJGIN-UHFFFAOYSA-N 291.370 3.843 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2cccc(OC)c2)CCCC1 265308989 DMIJHKXXQKPMLO-AWEZNQCLSA-N 287.403 3.588 30 20 CHED C=CCNC(=O)Nc1cc(C(F)F)ccc1Cl 353176872 WIAJNUVROGGOQU-UHFFFAOYSA-N 260.671 3.585 30 20 CHED C=CCCC(=O)Nc1ccc2oc(C3CC3)nc2c1 263641619 CEZRZTHHTQVSSE-UHFFFAOYSA-N 256.305 3.610 30 20 CHED C=CCN1CC[C@@H](S[C@@H](C)c2ccc(Cl)cc2)C1=O 537502850 UKQHTBKLXIHTNT-SMDDNHRTSA-N 295.835 3.921 30 20 CHED CC(C)(C)OCCCCSc1ccc(C#N)cn1 352549082 YSBFFTQQGWIMIJ-UHFFFAOYSA-N 264.394 3.641 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCC(F)(F)C2)CCCC1 451379979 BIZZXSVGBRYVIO-GFCCVEGCSA-N 271.351 3.675 30 20 CHED C=CCC[C@H](N[C@H]1CCO[C@H](C(C)(C)C)C1)C1CC1 536834713 SZWSOEZEJMLVGT-JYJNAYRXSA-N 265.441 3.915 30 20 CHED N#Cc1ccc(Sc2nc(C3CC3)nc3c2CCC3)cc1 536576723 QXRBTMGTKIXRCJ-UHFFFAOYSA-N 293.395 3.866 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1cc2c(s1)CCCC2 536078715 UWVUKZRSZHDJRI-INIZCTEOSA-N 290.432 3.685 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2CCC3(CC2)CC3)C1 617778343 DRVSCOHZUILSKR-AWEZNQCLSA-N 261.409 3.772 30 20 CHED C=CCOc1ccc(OCc2cc(OC)cc(C)n2)cc1 538754376 LWYBZDAVSZNVBF-UHFFFAOYSA-N 285.343 3.542 30 20 CHED Cc1ccc(C)c(OCCCN(CC#N)C2CCCC2)c1 610012791 HUDMNFUBBBGGHL-UHFFFAOYSA-N 286.419 3.841 30 20 CHED CC[C@H](N[C@H](C)C(C)(F)F)c1ccc(C#N)cc1 453288963 MBULJEDMPZMACK-MFKMUULPSA-N 252.308 3.643 30 20 CHED CC(C)(C#N)CN=c1[nH]ccc2cc(C(F)(F)F)ccc12 450435108 OGDNPRKVBCLWPP-UHFFFAOYSA-N 293.292 3.637 30 20 CHED CCCN(CCC)c1ncc(Cl)c(C)c1C#N 542209103 AOEVIOGYDQRKJM-UHFFFAOYSA-N 251.761 3.542 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 617778369 FAFYIXCZTUNPJL-AWEZNQCLSA-N 280.371 3.663 30 20 CHED Cc1ccc2c(C(=O)NCC(C)(C)CC#N)csc2c1 458046738 VNDCNHAOYVNVON-UHFFFAOYSA-N 286.400 3.879 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ncc(C#N)cc1Cl 450105086 NKZJVXZGVWCTML-LBPRGKRZSA-N 293.798 3.695 30 20 CHED C=CCCCCNC(=O)NCc1cc2ccccc2o1 547440151 DVAMWNSPSQZXDJ-UHFFFAOYSA-N 272.348 3.588 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC=C(c2ccco2)C1 367774288 FCCQYMSTPXWQMT-CQSZACIVSA-N 288.391 3.823 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1cc2ccccc2s1 275190961 FSWDFMTWVSHBSF-LLVKDONJSA-N 274.389 3.790 30 20 CHED C=CC(C)(C)CNC(=O)C1(Cc2ccccc2Cl)CC1 452774534 LWOGFSDSUFAVFG-UHFFFAOYSA-N 291.822 3.991 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CCC(=O)CC1 450453471 PKEBDVCWZFXZNC-OALUTQOASA-N 296.414 3.517 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(O[C@@H](C)CC)c1 276296627 KSNWNSXNKPZRMV-ZDUSSCGKSA-N 276.380 3.904 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc([C@@H]2CCCC(C)(C)C2)no1 453170590 IHUZWVDKXUJQHU-UEKVPHQBSA-N 259.353 3.555 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)NCC(C)(C)CC#N 459260335 PKVRNXHZHWKCPJ-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED N#CCCCNC(=O)C1(Sc2ccccc2)CCCC1 273016039 KAZSMOOTDGQIEM-UHFFFAOYSA-N 288.416 3.511 30 20 CHED C=CCC[C@@H](C)NCCc1nc2ccccc2n1C(F)F 544575288 CNUQYOURPMCVGI-GFCCVEGCSA-N 293.361 3.918 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H]1c1ccsc1)OCC 270070982 XPBQBYKKFKVFCJ-CABCVRRESA-N 293.432 3.783 30 20 CHED Cc1ccc(-c2cnn(Cc3ccc(CC#N)cc3)c2)cc1 544073496 KGZOJLJBVAMICV-UHFFFAOYSA-N 287.366 3.973 30 20 CHED CC(C)(NCc1cccc(C#N)c1F)c1cccs1 543499677 DHPJZXWKHSESRU-UHFFFAOYSA-N 274.364 3.784 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C(C)(C)C)C1 543201895 GXIZERORSWGZLP-ZIAGYGMSSA-N 266.429 3.809 30 20 CHED N#CCc1ccc(Cn2ccc(-c3ccc(F)cc3)n2)cc1 543147311 KEOIMGSWJXFXPL-UHFFFAOYSA-N 291.329 3.804 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C(C)C)nc1 276190871 DTKCHQBATNPMNA-UHFFFAOYSA-N 287.407 3.749 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c(Cl)cn1 468013142 CJZGAMTVZSIOEZ-LBPRGKRZSA-N 273.163 3.929 30 20 CHED C=CCN(CC=C)[C@@H](CNc1ccc(Cl)cn1)C(C)C 463047275 DJQXZPBXCJOEMW-HNNXBMFYSA-N 293.842 3.846 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1c[nH]c2ccc(F)cc12 620858574 KAWZIPOWGWVWBJ-UHFFFAOYSA-N 288.366 3.711 30 20 CHED C=CCc1ccccc1OCCCC1(C#N)CCOCC1 281350092 NCJUIWGKYWJLNV-UHFFFAOYSA-N 285.387 3.894 30 20 CHED CC(C)(C#N)CCNc1cc2c(cc1Cl)OCCCO2 288651894 FIHOLUZSIFJVBL-UHFFFAOYSA-N 294.782 3.853 30 20 CHED C=CCC[C@@H](NCCCC(C)(C)CO)c1ccco1 286253636 UNRNINXKGHTQOG-CQSZACIVSA-N 265.397 3.675 30 20 CHED CC#CCCCc1nc(Cc2c(C)[nH]c3ccccc23)no1 289018158 VKYMRHJGOGHSST-UHFFFAOYSA-N 293.370 3.796 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CCN(C)[C@@H](C)C2)c1 638248167 XQXWFVOGGSQCKB-GOEBONIOSA-N 274.408 3.536 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC12CCCCC2 556928244 XENRRZVBWIYXIP-AWEZNQCLSA-N 297.402 3.899 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc[nH]c1C(C)C 285301142 UQANXQCSOAWKDO-UHFFFAOYSA-N 267.332 3.571 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1C 474081091 JCWLECZPROLVLI-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCC(F)(F)C1 805221867 WRCYTAUIXIFSLD-GFCCVEGCSA-N 259.340 3.675 30 20 CHED C=CCC1(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CCC1 478059310 BAYWSTYRJDXUIB-AJNGGQMLSA-N 261.409 3.674 30 20 CHED Brc1ccsc1C=NNCC1CCCC1 808006425 TUGUKZOIYBFWLM-UHFFFAOYSA-N 287.226 3.624 30 20 CHED C#CCCCCNC(=O)CCCc1ccccc1Cl 290594365 UQBAUFBVKXCYCL-UHFFFAOYSA-N 277.795 3.582 30 20 CHED CCCNc1ccc(C#N)cc1NCCC1CCOCC1 297812934 QZFWBLHRQNKEPM-UHFFFAOYSA-N 287.407 3.609 30 20 CHED C=CCCN(C)Cc1c(Cl)nc2cc(Cl)ccn12 809650786 MPLUFMBQPATYCZ-UHFFFAOYSA-N 284.190 3.649 30 20 CHED COc1cccc([C@@H]2C[C@H]2Nc2ncc(C#N)cc2Cl)c1 569189386 VUDRATPKRYDXNF-DZGCQCFKSA-N 299.761 3.583 30 20 CHED C#Cc1ccc(CN[C@@H]2CCOc3c(Cl)cccc32)cc1 809610422 ZOFJNQNRXPGMDT-QGZVFWFLSA-N 297.785 3.935 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(SC(F)F)cc1 292434306 LZHTUUGDZQAUHJ-UHFFFAOYSA-N 296.342 3.543 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccc(C(F)(F)F)cc1 644543672 IKGJWILCCBEXNG-UHFFFAOYSA-N 299.336 3.966 30 20 CHED Cc1cccnc1NN=C1C[C@@H](C)c2ccccc21 807984364 NTMWIVABXMGXLP-GFCCVEGCSA-N 251.333 3.713 30 20 CHED CC(=NN[C@@H]1CCSC1)c1cc(Cl)cc(Cl)c1 808002931 QZTFIJKUSGBNBS-GFCCVEGCSA-N 289.231 3.813 30 20 CHED C=CCCc1noc([C@H]2C[C@@H]2c2c(F)cccc2F)n1 297431653 VJLRAGBWRFBSHX-UWVGGRQHSA-N 276.286 3.738 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 293000130 JCSDQFWDMRYTKW-GDBMZVCRSA-N 284.403 3.888 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H](C)CCC1CC1 470333135 AKQOWKVIVVHAGR-AWEZNQCLSA-N 290.407 3.598 30 20 CHED Cc1cc(C)nc(C(=O)OCCCCC(C)(C)C#N)c1 801446305 PORADFHPXMJEED-UHFFFAOYSA-N 274.364 3.575 30 20 CHED C[C@@H](CCC#N)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 298142706 OHVLZGQOFSMAEF-XHDPSFHLSA-N 296.773 3.545 30 20 CHED C=CCCCC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F 295460389 SBLGGUBWDHOGMK-JTQLQIEISA-N 292.326 3.527 30 20 CHED N#CCc1cccc(C(=O)OCc2ccc3occc3c2)c1 802851914 LHEOGPBQAZBPFG-UHFFFAOYSA-N 291.306 3.856 30 20 CHED c1ccc2c(c1)CCC2=NNc1nccnc1C1CCC1 807992128 ALMTUXVRBOQXRM-UHFFFAOYSA-N 278.359 3.507 30 20 CHED C=C(C)CN1CCC(N[C@@H]2C[C@H](C)c3ccccc32)CC1 564144814 VVRUOLPSUWVNFH-HNAYVOBHSA-N 284.447 3.865 30 20 CHED C=CCCCCCSCC(=O)N1CCC(C)CC1 485558773 GTTBNVUFNDUHEM-UHFFFAOYSA-N 269.454 3.725 30 20 CHED Cc1cccnc1NN=C1CC[C@H]2CNc3cccc1c32 814911900 WEPHIAANMCKJOV-LBPRGKRZSA-N 278.359 3.509 30 20 CHED C=CCCCN(C)[C@H](C(=O)O)c1c(F)cccc1Cl 568066026 NRZGRLNOZPRQNY-ZDUSSCGKSA-N 285.746 3.503 30 20 CHED CCCOc1ccc(NCCC#N)cc1OCCC 819398547 UEEWFAMWNCNMFC-UHFFFAOYSA-N 262.353 3.590 30 20 CHED CSc1ccc(C(C)=NN[C@H](C)c2ccncc2)cc1 819815441 QMTAJBKMVCSLGU-CYBMUJFWSA-N 285.416 3.878 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 489933791 LDPBQDQMOZTCCP-HUUCEWRRSA-N 281.440 3.546 30 20 CHED CSCCCC=NNc1ccc(Cl)c(C(=O)O)c1 814690043 RDSXHVOLZSWZFR-UHFFFAOYSA-N 286.784 3.579 30 20 CHED C#Cc1cccc(NC(=S)NN=C2CC[C@H]2C2CCC2)c1 814831613 JPQOFQJUJFKAGR-HNNXBMFYSA-N 297.427 3.520 30 20 CHED CCC(=NOC/C=C/Cl)c1cc(F)ccc1F 811671513 SKGBKLQIDBXRHZ-PWCPDNTMSA-N 259.683 3.848 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N[C@H]1CCC[C@@H]1C#N 480255333 BMBXXKUYNBQNCP-PMPSAXMXSA-N 276.424 3.647 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H](c1ccco1)N(C)C 657821467 NFZLBSBDIZDBSE-OWCLPIDISA-N 276.424 3.607 30 20 CHED Cc1cc(C=NOC/C=C\Cl)c(C)n1C1CC1 811668292 DHSTZNASISSXJM-QKDPKPEMSA-N 252.745 3.543 30 20 CHED C[C@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)C[C@@H](C)O1 571509578 GGHNCVYUSXCUCO-FOLVSLTJSA-N 288.391 3.737 30 20 CHED Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1O 818357014 UPOCANDTIICXFT-GMXVVIOVSA-N 278.783 3.697 30 20 CHED Cc1ccnc(Oc2cc(NCCC#N)ccc2C)c1 574034098 YGWORWMWUPKGJQ-UHFFFAOYSA-N 267.332 3.816 30 20 CHED CSCCCC=NNCc1cccc(Cl)c1 814867524 INQPQFGNWPLXDS-UHFFFAOYSA-N 256.802 3.559 30 20 CHED CC(C)(NCc1ccc(C#N)c(F)c1)c1cccs1 483735754 ZSNVPKLRCHPXBL-UHFFFAOYSA-N 274.364 3.784 30 20 CHED Cl/C=C\CON=Cc1cccc(Br)c1 811668626 QTOGJCJKMQQVLK-WVDZYLRBSA-N 274.545 3.552 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 811595543 QQAWPDJRDCHAQQ-GOEBONIOSA-N 281.440 3.763 30 20 CHED C=C(C)CNC(=O)N(Cc1ccccc1)CC(C)(C)C 488586322 YPZAMRPSJXLNSO-UHFFFAOYSA-N 274.408 3.820 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(C#N)cc1OC 578828172 ZUIZYCUNCCNVSG-LLVKDONJSA-N 274.364 3.578 30 20 CHED C=CCC1(NCc2cccc(OC(F)F)c2)CCOCC1 657633096 GMVBXSQLQXZPIH-UHFFFAOYSA-N 297.345 3.503 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(C)ccc1C(F)(F)F 825435703 HRURTNMBLMRBDV-SNVBAGLBSA-N 284.281 3.547 30 20 CHED C[C@H]1CC(C(=O)NC2(c3cccc(C#N)c3)CC2)C[C@H](C)C1 572980510 CKNKEZQFCLVQIL-ZIAGYGMSSA-N 296.414 3.736 30 20 CHED C#Cc1cccc(N(CC[C@H](C)O)Cc2cccs2)c1 828281832 WWBBASVDTWRFPS-AWEZNQCLSA-N 285.412 3.507 30 20 CHED C=CCCCCN[C@H](Cn1ccccc1=O)c1ccccc1 573059841 DMFFHSSJLMYVKI-GOSISDBHSA-N 296.414 3.536 30 20 CHED COc1ccc(CCCN(C)Cc2ccc(C#N)cc2)cc1 497470459 JLYDMSMMRDTVHU-UHFFFAOYSA-N 294.398 3.631 30 20 CHED COc1cccc(O)c1/C=N/C1CC(c2ccccc2)C1 728226144 JKMLBMOPGBNZFM-XDHOZWIPSA-N 281.355 3.766 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1OC1CCCC1 822588962 HYRKBAUTFOBZQW-UHFFFAOYSA-N 271.360 3.606 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cccc(C(F)(F)F)c1 490067423 MZYGPKXOUWQBEM-UHFFFAOYSA-N 299.336 3.966 30 20 CHED C=CCCNC(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 665945829 OGQDAEJPGDTQNN-DLBZAZTESA-N 286.419 3.849 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 664594975 IJHIHVOUKJRIIL-CABCVRRESA-N 296.455 3.624 30 20 CHED Cc1cccc([C@H](C)CNC(=O)CCCCCC#N)c1 588159366 QNXCKHUQVRUSMB-OAHLLOKOSA-N 272.392 3.689 30 20 CHED CN(C)c1ccc(Cl)cc1NC(=O)CCCCCC#N 588821014 VDECROIBGKNGDI-UHFFFAOYSA-N 293.798 3.819 30 20 CHED N#Cc1ccc(C(=O)OCCCCC2(C#N)CCC2)s1 909049667 RUXOIYJQNKPGIL-UHFFFAOYSA-N 288.372 3.641 30 20 CHED C=CCNC(=S)NCc1ccc(-c2cccc(C)c2)cc1 735423317 SKDBUZNSBAXVIS-UHFFFAOYSA-N 296.439 3.812 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C/c2cncn2C)cc1 901542456 DYNJKXCRQDYFDV-WTNCMQEWSA-N 268.360 3.830 30 20 CHED N#CC1(c2ccc(-c3ccc(CO)cc3)cc2)CCC1 906167947 BUYPHMYHYJWROC-UHFFFAOYSA-N 263.340 3.791 30 20 CHED N#C[C@@H](NC(=O)C=C1CCCCC1)c1ccc(Cl)cc1 733258754 KHXXUWPHYRBQFL-OAHLLOKOSA-N 288.778 3.911 30 20 CHED C=CCCC(=NNc1cccc(Br)n1)C1CC1 835024105 YKBHZBGGWZTBOY-UHFFFAOYSA-N 294.196 3.988 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2c(ccn2CCC)c1 736973628 OGMNQSREMPBQPG-UHFFFAOYSA-N 291.782 3.925 30 20 CHED Cc1ccccc1CN(C(=O)C#CC(C)(C)C)C1CC1 837333679 CGMRZVOXDHLGSC-UHFFFAOYSA-N 269.388 3.536 30 20 CHED Cc1ccc(C=NNc2ccc(F)cc2F)cc1F 731486008 MAWSPJXHHGJLOU-UHFFFAOYSA-N 264.250 3.858 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1ccco1 588508690 FOROSZULKPZEQA-XQRVVYSFSA-N 277.663 3.737 30 20 CHED C=CCOC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730632645 WHCOHRMLCGVQEU-UHFFFAOYSA-N 295.310 3.516 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@H](C2CC2)C1 588978059 PVUZDBVIAVIBFQ-ZDUSSCGKSA-N 274.795 3.834 30 20 CHED CC[C@@H](N[C@@H]1COCc2ccccc21)c1cccc(C#N)c1 903025894 VPYKSQGTRGOZJA-RTBURBONSA-N 292.382 3.870 30 20 CHED CC#CC(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1 836808439 ANXKDEZFUZUWER-UHFFFAOYSA-N 283.343 3.817 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc2ccsc12 837492685 NZGUOQKLDIRCLZ-UHFFFAOYSA-N 257.358 3.889 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2)c(C#N)c2n1CCC2 730085406 QCLQAUWZGLKSMM-MDZDMXLPSA-N 276.339 3.511 30 20 CHED CSc1ccc(C)c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 839041477 BOLVQGQJLIGJSY-QWHCGFSZSA-N 289.400 3.956 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)OCc1cccc(C#N)c1 732852544 CPLKYHXSAKVAKZ-GOSISDBHSA-N 293.366 3.870 30 20 CHED C=CCCCCCCCNC(=O)Nc1ccccc1CN 904633857 MWVRNBWINGRHGW-UHFFFAOYSA-N 289.423 3.793 30 20 CHED CC(=NNc1nccnc1Cl)c1cccc(C)c1C 734299222 KMROQKDLVBCTGD-UHFFFAOYSA-N 274.755 3.583 30 20 CHED C=C(C)CNC(=S)Nc1cccc(SCC)c1 733754881 XXEIZSRXMMKHNI-UHFFFAOYSA-N 266.435 3.661 30 20 CHED C=CC(C)(C)CNC(=O)NC(C)(C)c1ccc(F)cc1 838270389 UZWVYAXYRDTGIU-UHFFFAOYSA-N 278.371 3.572 30 20 CHED C#CCCCCCC=NNc1ccnc(Br)c1 834969038 KCUBBQWYJPWBRD-UHFFFAOYSA-N 294.196 3.826 30 20 CHED CCC(=NNc1oc(C)nc1C#N)c1ccc(CC)cc1 917554470 PWNMUIZDSLYEOX-UHFFFAOYSA-N 282.347 3.643 30 20 CHED C=CC1CCN(C(=O)c2ccc(C(F)(F)F)s2)CC1 671719074 UJWNQJZRDCOSFJ-UHFFFAOYSA-N 289.322 3.805 30 20 CHED CC(C)c1cccc(C(=O)N(CCC#N)CC(F)(F)F)c1 597320306 RRKCUDRSSOEUIJ-UHFFFAOYSA-N 298.308 3.728 30 20 CHED CC#CCCCC(=O)N(c1ccc(C#N)cc1)C1CCC1 598882172 LAYJKJIVVQBCOP-UHFFFAOYSA-N 280.371 3.637 30 20 CHED C=CCC[C@@H](C(=O)O[C@H](C)C(=O)CC)c1ccccc1 837652318 BYDJVRVMFNHIQQ-UKRRQHHQSA-N 274.360 3.647 30 20 CHED C=C(CNC(=O)Nc1cccc(F)c1F)c1ccccc1 672653724 QWTABGULJGBYIU-UHFFFAOYSA-N 288.297 3.800 30 20 CHED C#CCN(C(=O)c1ccc(OC(C)C)cc1)C1CCCCC1 743692169 NOSAPFBSUCMQDM-UHFFFAOYSA-N 299.414 3.882 30 20 CHED CS[C@@H]1CCCC[C@H]1NC(=O)CC1(C#N)CCCCC1 597811075 GNMJBCSTLOQXTN-ZIAGYGMSSA-N 294.464 3.641 30 20 CHED CCCn1cccc1C=NNc1cc(C)cc(C)c1 918152444 KPELDYAESCCMQV-UHFFFAOYSA-N 255.365 3.961 30 20 CHED Cc1ccc(CCC(=O)N2CCC(CCC#N)CC2)c(C)c1 592819798 UMZLZIOTOCCBAK-UHFFFAOYSA-N 298.430 3.778 30 20 CHED CC(C)Nc1cccc(F)c1NC(=O)C#CC(C)(C)C 911929793 HTHAZQLHYNYUTH-UHFFFAOYSA-N 276.355 3.634 30 20 CHED CCC(=CC(=O)OCc1ccc(C#N)cc1C)CC 748922628 SDJIIXSAJDUNAN-UHFFFAOYSA-N 257.333 3.656 30 20 CHED CN(C)Cc1cc(-c2ccc(OCCC#N)cc2)ccc1F 596647258 ZVCDVHVLQFXUOE-UHFFFAOYSA-N 298.361 3.847 30 20 CHED CCC[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)OCC 599059691 JXWPGYPESXTTNE-OCCSQVGLSA-N 278.371 3.553 30 20 CHED CC(CCC(C)C)=NNc1nncc2ccccc12 915910018 ZQWZOEXRQZDKIR-UHFFFAOYSA-N 256.353 3.854 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)N1CCC[C@](C)(C#N)C1 591335549 CJZZCYJTSIZDDO-GRDNDAEWSA-N 291.439 3.536 30 20 CHED N#CC[C@@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 596329916 NFHOXSIHYSQMLA-LBPRGKRZSA-N 269.323 3.504 30 20 CHED CCCCCCCCOC(=O)c1c(C)cc(=O)oc1C 918918021 BEQNKYHDBAVFIP-UHFFFAOYSA-N 280.364 3.774 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@@H](CC#N)C1 595613199 ARSSHTZIXCBDGN-HNNXBMFYSA-N 281.403 3.613 30 20 CHED CC1(C)C(=NNc2cc(F)cc(F)c2)[C@@H]2CCCO[C@H]21 743437201 DJOSWQSTGOLGRV-GXTWGEPZSA-N 280.318 3.568 30 20 CHED CCN(CCSc1ccc(F)cc1F)C[C@H](C)C#N 595297902 KITHPJBOKUFQIU-LLVKDONJSA-N 284.375 3.538 30 20 CHED CO[C@@]1(C)CC(=NNc2nc3ccccc3s2)C1(C)C 746557412 CTUWSDRQHHRAGR-HNNXBMFYSA-N 289.404 3.899 30 20 CHED COc1ccc(O)c(/C=N/Cc2ccccc2OC(C)C)c1 917557904 IGOWFHUXAJGGDZ-XDHOZWIPSA-N 299.370 3.807 30 20 CHED N#Cc1cc(F)ccc1-c1ccc(C[C@H](O)C2CC2)cc1 596636048 MNYMOKRSLMUVOE-SFHVURJKSA-N 281.330 3.678 30 20 CHED C=CCCn1cc(/C=C2\C[C@@H](C)c3ccccc3C2=O)nn1 849246289 GWJBQDUJJCNBLS-MBFWDRTGSA-N 293.370 3.628 30 20 CHED Oc1ccc(/C=N\[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(O)c1O 745991279 UTVFZOHDYZIJQY-SMUWTVGBSA-N 289.375 3.581 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccc(-c2ccc(Cl)s2)nn1 848415389 TUHIHSWCNKMUIB-IUCAKERBSA-N 292.795 3.912 30 20 CHED C=C[C@H](C)NC(=O)C(F)(F)c1cccc(Cl)c1Cl 843564816 IGUYOCUQJLLDNX-ZETCQYMHSA-N 294.128 3.776 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1cccc(Cl)c1)CC(C)C 598782812 KIMJNDRMXDGDHB-AWEZNQCLSA-N 292.810 3.874 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc3c(c2)COC3)cc1 742860741 FJIHOGNSANBTCG-UHFFFAOYSA-N 296.322 3.501 30 20 CHED C=CCOCCNC(=O)c1ccc(C(C)(C)C)c(Cl)c1 685792511 GLFOUGPSUYVDQZ-UHFFFAOYSA-N 295.810 3.570 30 20 CHED CC(C)[C@H](C)N(C(=O)CC1(C#N)CCCCC1)C1CC1 596916738 RFNXGCCKOXIGRB-AWEZNQCLSA-N 276.424 3.886 30 20 CHED CCCCc1ccc(N(C)C(=O)[C@H](C#N)CC)cc1 845707348 ORSLRRRTHOSKBN-AWEZNQCLSA-N 258.365 3.542 30 20 CHED CCCCCCCC(=O)NC[C@H](C)N1CCC[C@H](C)C1 915631028 XDDMXKROWCKFQD-HOTGVXAUSA-N 282.472 3.584 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C(C)(C)C 744010109 DMLSDKIQWYVJJH-MMRAYRKESA-N 281.359 3.732 30 20 CHED N#CCOC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 919297355 PWCSXIHQQJGGDW-UHFFFAOYSA-N 298.047 3.693 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1nccn1Cc1ccccc1 1356158608 ZGIOZVYRRKBVOV-HNNXBMFYSA-N 298.386 3.577 30 20 CHED CC(=NN=C1CCC(C(C)(C)C)CC1)c1cnccn1 745206606 MHXZGOYHOQXDME-UHFFFAOYSA-N 272.396 3.878 30 20 CHED CC[C@](C)(C/N=C\c1cc(Cl)cc(Cl)c1O)OC 840706428 IEHCAPMEBYSQIJ-YSTIZTGUSA-N 290.190 3.933 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cnc(C(C)(C)C)nc1)C2 840717330 PPXRYNKEHCIQAW-OVCLIPMQSA-N 292.382 3.905 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cnc(C)nc1C 741451873 XVXHHDYMJHOYOU-UHFFFAOYSA-N 274.755 3.583 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(Cl)c(F)c2)cc1 921255353 ZQFVOPPWOLLWKX-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CN(C)c1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1 921263590 HFZJDKZVKMMOOZ-RAXLEYEMSA-N 281.330 3.714 30 20 CHED CCCCCCCCCC(=O)NCc1ccn(C)c1 747894169 PWOJITDQYKTBCY-UHFFFAOYSA-N 264.413 3.782 30 20 CHED CCCC(C)(C)C(=O)O[C@H](C#N)Cc1ccc(F)cc1F 845512397 WAAJBRMIGCEDBH-ZDUSSCGKSA-N 295.329 3.769 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1ccc(-n2cccn2)cc1 755585514 CHRHLZQXTOSGES-DHZHZOJOSA-N 299.333 3.640 30 20 CHED C#CCCCC(=O)N(CC)Cc1ccc(C(F)(F)F)cc1 757987826 XPOYTNVCIJGQSX-UHFFFAOYSA-N 297.320 3.857 30 20 CHED Fc1ccc(/C=C/C=NNc2ccc(Cl)nn2)c(F)c1 758068687 RWSDOAVVQVMZLD-AQPVDJSSSA-N 294.692 3.519 30 20 CHED CCc1ccc(CCC=NNc2ccccn2)cc1 758080417 FOKMAGJGGHYUFZ-UHFFFAOYSA-N 253.349 3.675 30 20 CHED CC(Cc1cccc(F)c1)=NNc1nc2ccccc2n1C 759201513 KLHWXYBUUUIACQ-UHFFFAOYSA-N 296.349 3.743 30 20 CHED C[C@H](Cc1ccsc1)OC(=O)CCCCCC#N 851148444 GCUFAASAQIBALW-GFCCVEGCSA-N 265.378 3.696 30 20 CHED Cc1cc(C(=O)O[C@H](C)CC(C)(C)C#N)ccc1F 851211058 ZAZPOGBCQSXSKE-LLVKDONJSA-N 263.312 3.619 30 20 CHED C=CCOc1cccc(C=NN[C@@H](C)c2ccccc2)c1 920386287 WBWQRCPWBDLWHH-HNNXBMFYSA-N 280.371 3.936 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1ccc(-n2cccn2)cc1 755585515 CHRHLZQXTOSGES-FLIBITNWSA-N 299.333 3.640 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 855546961 QYJPXCHCXBYRPH-SJLPKXTDSA-N 287.403 3.987 30 20 CHED Cc1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)nc1 753068787 PQTJUQRXDXGCJL-UHFFFAOYSA-N 293.370 3.565 30 20 CHED CCCCCCCCNC(=O)NCc1ccn(C(C)C)n1 754858359 MJEZFBAKNRBCAX-UHFFFAOYSA-N 294.443 3.624 30 20 CHED CC(=NOCC(F)(F)F)c1c(Cl)cccc1[N+](=O)[O-] 758128092 DDRGEEJUWBMLMX-UHFFFAOYSA-N 296.632 3.551 30 20 CHED C=C(C)CCOC(=O)c1c(F)ccc(F)c1Cl 856970194 SYCAZYASTMCXBK-UHFFFAOYSA-N 260.667 3.741 30 20 CHED CC(=NNc1cc(C)ccn1)c1cc2ccccc2o1 755901960 JGHOPLGJTZSATC-UHFFFAOYSA-N 265.316 3.972 30 20 CHED COc1ccc2ccccc2c1CCN[C@@H]1CC[C@H](C#N)C1 926912243 RWGMXVJEWGVTCK-GOEBONIOSA-N 294.398 3.673 30 20 CHED CCCCCC[C@H](C)C(=O)NCCc1ccc(C#N)cc1 855225195 NCXMTXGROSUVJX-HNNXBMFYSA-N 286.419 3.823 30 20 CHED CC/C(=C\C(=O)N1CCC[C@H](CC#N)C1)c1ccc(C)cc1 855254858 QYMQZKOAIXDYPM-VAFHRPCXSA-N 296.414 3.941 30 20 CHED Cc1ccnc(NN=Cc2cccc(OC3CC3)c2F)c1 853317464 ZDQKSSPXHDHIRR-UHFFFAOYSA-N 285.322 3.516 30 20 CHED CC[C@H]1CC(=NNc2nc(C(F)(F)F)cs2)CCO1 756826962 HEFATAKUEDLIRA-QMMMGPOBSA-N 293.314 3.519 30 20 CHED C=CCCCC(=O)N[C@@H](CC)Cc1ccc(F)cc1 855212781 BUQBINCRHJDFEW-HNNXBMFYSA-N 263.356 3.619 30 20 CHED C=C[C@H](C)NC(=O)/C=C/c1ccccc1O[C@H](C)CC 757007052 VGVMCJAXRXKWSC-CYUAOAIUSA-N 273.376 3.568 30 20 CHED CCC/C=C\C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 752716098 GFJBOSKIDDBZBI-DAXSKMNVSA-N 295.304 3.529 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccc(C(F)(F)F)nn1 766030667 XLKHXQVAVDONJA-QMMMGPOBSA-N 286.301 3.719 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1ccc(C#N)cc1 761489491 ARLTZIZXNWKVBL-LBPRGKRZSA-N 259.349 3.674 30 20 CHED CC#CCCOC(=O)c1ccc(C)c(C)c1Cl 760290073 RZMFRICLWAOAOV-UHFFFAOYSA-N 250.725 3.527 30 20 CHED CCCCCCCCC(=O)Nc1cc(C(N)=O)sc1C 769275558 XITVNHJANLCVHN-UHFFFAOYSA-N 296.436 3.845 30 20 CHED CC1(C)CCCCC1=NNc1cc(C#N)cc(Cl)n1 768380228 LTYNAJYTJMKEJH-UHFFFAOYSA-N 276.771 3.975 30 20 CHED C#CCCc1noc(-c2cc3c(s2)CCCCC3)n1 762018056 UIWZQNDJJJLBRB-UHFFFAOYSA-N 272.373 3.633 30 20 CHED CC(CCc1ccsc1)=NN=c1cc[nH]cc1Cl 764907824 DWWJZIOCOYQECN-UHFFFAOYSA-N 279.796 3.639 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccco1 863915555 DILUGADGAHJOAW-ZIAGYGMSSA-N 261.365 3.636 30 20 CHED COc1ccsc1/C=C1/COc2c(C)cccc2C1=O 764431431 CRMSWNVEGWCFPK-FLIBITNWSA-N 286.352 3.724 30 20 CHED C#CCCCCC(=O)Nc1ccc(OCCC)c(OC)c1 863843036 KMMFPHFUDRSIFJ-UHFFFAOYSA-N 289.375 3.616 30 20 CHED Cc1cccc(NC(=O)c2ccccc2CC#N)c1C 58248141 IHIVACXJWGNHPT-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CCC(C#N)(CC)C(=O)OCC#Cc1ccc(Cl)cc1 860198030 PRZWSTKVOXQZBY-UHFFFAOYSA-N 289.762 3.565 30 20 CHED O=C(O)c1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 765826685 SHAMBMCUAXVQPX-RUDMXATFSA-N 286.714 3.934 30 20 CHED CCCCOC(=O)CS[C@H](C#N)CCc1ccccc1 865376687 YXDOSJAGJSWLII-HNNXBMFYSA-N 291.416 3.588 30 20 CHED Fc1cc(Cl)c(NN=Cc2ccncc2)c(Cl)c1 767909491 HOEXVNGBIGQOFF-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CC(C)c1nc(/C=C/C(=O)c2ccco2)c2ccccn12 769771481 NZXNRKQZCPSNIH-CMDGGOBGSA-N 280.327 3.947 30 20 CHED N#Cc1cccc(CN2CCCC[C@H]2c2ccccc2)n1 877365457 QTLCIQRMRZFCEX-SFHVURJKSA-N 277.371 3.680 30 20 CHED C=CC[C@@H](C(=O)Oc1ccc2c(c1)OCO2)c1ccccc1 777401206 ADDBWBXZZROGCU-OAHLLOKOSA-N 296.322 3.681 30 20 CHED C=CCC[C@H](C(=O)NOCc1ccccc1)c1ccccc1 777770347 ZXUQWCNOZIOEDF-SFHVURJKSA-N 295.382 3.984 30 20 CHED C#CC[C@H](N[C@H]1C[C@H](OCC)C1(C)C)c1ccccc1 776172025 REDSNIPCAGVEFG-ULQDDVLXSA-N 271.404 3.544 30 20 CHED COc1ccc(C)cc1C(C)=NNc1cc(Cl)ccn1 777907348 RVWGPBJKZVWGLP-UHFFFAOYSA-N 289.766 3.888 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc2c1ccn2CC(C)C 773716427 KWRJNHFYZXXRGP-CYBMUJFWSA-N 284.359 3.756 30 20 CHED Cc1cccc(OCCCNCc2ccc(C#N)cc2F)c1 772905077 UDWIEKJCFOSJQJ-UHFFFAOYSA-N 298.361 3.565 30 20 CHED Cc1c(C#N)cccc1NC(=O)C=C1CCC(C)CC1 770334085 FNCKXUBHVJSFDK-UHFFFAOYSA-N 268.360 3.942 30 20 CHED C#CCCCCC(=O)Nc1cccc(CSC)c1 773304774 YEJVICZLCZCDBB-UHFFFAOYSA-N 261.390 3.682 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@@H]2C2CCCCC2)n1 500261696 LIDUEAODFCHJGS-HUUCEWRRSA-N 255.365 3.642 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1ccc(C#N)s1 773125471 PAFAEUJMHOEXSP-CYBMUJFWSA-N 261.394 3.512 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1ccc(COC(C)C)cc1 878448145 GWXBVOZABXEECJ-QGZVFWFLSA-N 288.391 3.535 30 20 CHED C#CCOc1ccccc1NC(=O)CC1(C)CCCCC1 775951155 BWRUQXBJNXKAPJ-UHFFFAOYSA-N 285.387 3.998 30 20 CHED N#Cc1cc(NC(=O)C=C2CCCCC2)c(F)cc1F 876345346 KNCXKJBZYVAFFQ-UHFFFAOYSA-N 276.286 3.665 30 20 CHED COc1ccc(CNN=Cc2ccc(Cl)c(C)c2)cc1 779770987 NRSCRYDQPCXZCW-UHFFFAOYSA-N 288.778 3.781 30 20 CHED C[C@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC12CCC2 779603795 BQHXLFSAAUGQBP-JKSUJKDBSA-N 298.430 3.990 30 20 CHED Cc1cc(C#N)cc(NC(=O)COc2ccc(C)cc2C)c1 1129685081 KBWAGWPISQHZOL-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CCCC[C@@H](CC)CNC(=S)N1CCC(CC#N)CC1 781546045 ALEPJTQZKGGLJU-CQSZACIVSA-N 295.496 3.703 30 20 CHED N#CCCSCCc1ccccc1Br 882177890 XZMHVKYVANRLEQ-UHFFFAOYSA-N 270.195 3.638 30 20 CHED C=CCCCC(=O)Nc1n[nH]c(C)c1-c1cccc(F)c1 881210909 HCJBAIFVDRSCTE-UHFFFAOYSA-N 287.338 3.819 30 20 CHED C=CCCN(C)C(=S)Nc1ccccc1Cl 786083810 QWWFLGRVNVBRNJ-UHFFFAOYSA-N 254.786 3.545 30 20 CHED C=CCC[C@@H](C(=O)Nc1ncc(CC)o1)c1ccccc1 889389337 XPIMESACRVBYFW-OAHLLOKOSA-N 284.359 3.926 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cc(F)cc2ccoc12 1122812438 ZEWZFMAIZNXWQX-GFCCVEGCSA-N 275.279 3.667 30 20 CHED C#CCC1(C(=O)OCc2cccc(Cl)n2)CCCCC1 788216393 RNZMEKVERBOYIC-UHFFFAOYSA-N 291.778 3.752 30 20 CHED C=C1CC(c2noc(-c3cnc([C@H](C)OCC)s3)n2)C1 896881764 FWXMXDCPMRELRD-VIFPVBQESA-N 291.376 3.724 30 20 CHED COc1cccc2c(NCC3(C#N)CC3)nc(Cl)cc12 893654193 IIVJJQOSCMHEND-UHFFFAOYSA-N 287.750 3.612 30 20 CHED C#CCC1(C(=O)Oc2cccc(F)c2F)CCCCC1 788443241 OMDOSPSQEFVPQG-UHFFFAOYSA-N 278.298 3.844 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)[C@H]1Cc2ccccc21 780037004 XXDVAVDXLSQJCU-INIZCTEOSA-N 297.741 3.595 30 20 CHED Fc1ccc(NN=C2CCCOc3cc(F)ccc32)cc1 781573018 YWGUXMLDMTXCEP-UHFFFAOYSA-N 288.297 3.954 30 20 CHED CCC[C@H](NCc1ccc(C#N)cn1)c1ccc(OC)cc1 783294401 PSODGJILBCOZEP-SFHVURJKSA-N 295.386 3.593 30 20 CHED C#CC[C@@H](NC(=O)CCCc1ccsc1)c1ccccc1 783505190 FWEDYHLAQFQJBR-QGZVFWFLSA-N 297.423 3.952 30 20 CHED C#Cc1cccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)c1 782228912 LCMRVAQFMJVCEA-UHFFFAOYSA-N 293.341 3.768 30 20 CHED C=C1CCC(C(=O)N(c2ccccc2)[C@@H]2CCOC2)CC1 890181194 NWUSPXGMTXJQES-QGZVFWFLSA-N 285.387 3.555 30 20 CHED Cc1ccccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1130174456 LFFSNKJGGRKHOK-CQSZACIVSA-N 278.355 3.700 30 20 CHED Cc1ccc(-c2ccc(C(=O)OC[C@H](C)C#N)s2)o1 781832376 CSMTUXYGULRSAA-SECBINFHSA-N 275.329 3.633 30 20 CHED Cc1nc(C#N)cc(-c2cc(Cl)cc(Cl)c2)n1 409437984 JUOOIJROYHOZOD-UHFFFAOYSA-N 264.115 3.631 30 20 CHED C[C@@H]1CCCC(=NNCCc2ccccc2F)[C@@H]1C 781125003 IODPZSFZJRZVQA-CHWSQXEVSA-N 262.372 3.770 30 20 CHED C=CCNC(=S)N(CC(C)C)c1ccc(CC)cc1 795019355 NMAVIAXBLRLLFG-UHFFFAOYSA-N 276.449 3.772 30 20 CHED CCCCCC[C@H](C)NN=Cc1c(F)ccc(O)c1F 794515447 KKXPIIAOIZLWIG-NSHDSACASA-N 284.350 3.953 30 20 CHED CC(=NNc1ncncc1F)[C@H](C)c1ccc(Cl)cc1 793224887 AKQFOGOHAXVLGN-VIFPVBQESA-N 292.745 3.861 30 20 CHED N#CCCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 70940800 NFZNZIDZUOGYML-UHFFFAOYSA-N 285.269 3.521 30 20 CHED CCOC(=O)[C@H]1CCC(=NNCC2(C)CCCC2)[C@H](C)C1 793089071 DZGZZSYYMUAZRV-KGLIPLIRSA-N 294.439 3.512 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(C#N)c1 799329761 MDJHIARNLHBZSR-SFHVURJKSA-N 292.382 3.618 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=Cc1ccnn1C(C)C 794537552 XMGPSTGTWTVLEK-SFHVURJKSA-N 298.434 3.655 30 20 CHED CCCCCCCN[C@H]1CCCC12CCOCC2 703765887 QRMYZHPHOIAYIN-HNNXBMFYSA-N 253.430 3.896 30 20 CHED C=CCSCCNCc1ccsc1C(F)(F)F 598963814 POJHFYQULZXVHR-UHFFFAOYSA-N 281.368 3.776 30 20 CHED CCC(=NNCc1c(Cl)cccc1Cl)c1cn[nH]c1 793116940 GYSVUCCDZWFGPO-UHFFFAOYSA-N 297.189 3.620 30 20 CHED CC(C)c1nc2cc(NC(=O)c3ccc(C#N)o3)ccc2o1 794222257 MMCZIGFAYGIDPI-UHFFFAOYSA-N 295.298 3.668 30 20 CHED N#Cc1ccc(NCc2cccc(C(=O)O)c2)cc1Cl 61845289 BKDOXOITYYLMIG-UHFFFAOYSA-N 286.718 3.522 30 20 CHED CC[C@@H](C)CCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 797045969 VXEHNRKZAPKVMO-DGCLKSJQSA-N 283.375 3.874 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)cc1C#N 799342881 RWAKSYQITAVKPO-OCCSQVGLSA-N 270.376 3.517 30 20 CHED N#CCN(C(=O)c1cc(Cl)ccc1Cl)C1CCCC1 80212429 UFTKVKMVKZKHDI-UHFFFAOYSA-N 297.185 3.902 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc3ccccc3c2)C1 595609132 GPPUNBDNSASOLH-OAHLLOKOSA-N 264.372 3.965 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc(C(F)F)c2)C1 595623554 TWVBANDIYCCROH-LBPRGKRZSA-N 264.319 3.750 30 20 CHED CCOc1ccc(/C=N/C[C@H]2CCC(F)(F)C2)c(O)c1 797398750 QNLQOJSYPDAVLJ-HPAYWCODSA-N 283.318 3.645 30 20 CHED CCC[C@H](C(=O)OCCCC(C)(C)C#N)c1ccccn1 799533285 ZIKUJTGEWZDCCX-AWEZNQCLSA-N 288.391 3.838 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc(Cl)cc2F)c1 720294777 VRIQXTCCBGHYBB-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C#CCCCCC(=O)N[C@H]1CCC[C@H](C(C)C)CC1 769015871 PULXNLFCWBIDFN-HOTGVXAUSA-N 263.425 3.901 30 20 CHED Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2)c(C)n1 94664127 CMRSZEHGJUGQFM-LBPRGKRZSA-N 251.333 3.743 30 20 CHED CCSc1ccc(CNc2ncccc2C#N)cc1 1640333679 LUDBTDHNEYTMHK-UHFFFAOYSA-N 269.373 3.677 30 20 CHED Cc1nnc(NCC(C)(C)C2CCCC2)c(C#N)c1C 1642453708 RPWROCCFTNVMJH-UHFFFAOYSA-N 272.396 3.593 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cncs1 1321880692 SPSHPKSICOOTGP-UHFFFAOYSA-N 265.769 3.941 30 20 CHED C=CCC(C)(C)c1nnc([C@H](C)CN2CCC(C)CC2)o1 1327028357 RKIUHVSELHOUDT-CQSZACIVSA-N 291.439 3.759 30 20 CHED CCc1nc(C#N)cc(N2c3ccccc3C(C)(C)[C@@H]2C)n1 1187034334 IUJRUNLGIUDSFU-LBPRGKRZSA-N 292.386 3.728 30 20 CHED CC#CCOC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1252332096 RURYXZKYAXYYCZ-UHFFFAOYSA-N 270.372 3.582 30 20 CHED Cc1ccccc1-c1nnc(-c2ccc(C#N)cc2)o1 1258076901 QAQYNYBKQNGYOL-UHFFFAOYSA-N 261.284 3.584 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1333053701 MWVYLTDIBOMXNL-AWEZNQCLSA-N 289.423 3.560 30 20 CHED CC(C)[C@@H]1CN(Cc2cc(C#N)ccn2)c2ccccc21 1193996412 AZJJAYTWWQLBNO-KRWDZBQOSA-N 277.371 3.713 30 20 CHED COc1ccc2cc(C(=O)N[C@@H](C#N)C(C)(C)C)ccc2c1 1343773290 DWCRSLUUUYFXKT-INIZCTEOSA-N 296.370 3.516 30 20 CHED N#CC1(CSCCOc2ccc(F)c(Cl)c2)CC1 1262482294 YNQYQVWRAFXHCK-UHFFFAOYSA-N 285.771 3.895 30 20 CHED C[C@@H](SCc1ccc(C#N)cc1)c1cccnc1 1346879999 BPMZHRPYJNRWFU-GFCCVEGCSA-N 254.358 3.948 30 20 CHED CC(C)c1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)CC#N 1263290423 PNMBZKWXADGIOF-LBPRGKRZSA-N 298.342 3.924 30 20 CHED C=CCC(CC=C)c1nnc(Cn2cnc3ccccc32)o1 1345727916 XCJMOXMPGMSSJL-UHFFFAOYSA-N 294.358 3.703 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1F 1264859257 FIOIAMLAHKBUOB-CYBMUJFWSA-N 296.345 3.539 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 1272901764 FDYFBGLKQNLHRH-QEJZJMRPSA-N 296.370 3.526 30 20 CHED C#Cc1ccc(NC(=O)Cc2nc(C(C)C)c(C)s2)cc1 1351916116 PBAMYQREESAUKP-UHFFFAOYSA-N 298.411 3.737 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2cccc(C#N)c2)CC[C@H]1C 1351936493 DIJONJIXWSGSEC-DYEKYZERSA-N 256.349 3.569 30 20 CHED C=CC[C@@H]1CC[C@H](NC[C@H](CC2CCCC2)C(=O)O)C1 1602851135 AROXEELSMCIYEL-KBMXLJTQSA-N 279.424 3.602 30 20 CHED CCc1ccc(CNc2nc3c(cc2C#N)CCC3)s1 225720985 RJUQUULNAZMIHE-UHFFFAOYSA-N 283.400 3.678 30 20 CHED N#Cc1cnnc(NC[C@H]2CCCC[C@H]2c2ccccc2)c1 1472783781 JCEGJIYJRMYTEO-SJORKVTESA-N 292.386 3.734 30 20 CHED CCCOc1cccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 1535478700 GUXAXJOOBRYJSP-CZUORRHYSA-N 287.359 3.715 30 20 CHED CCc1nc(C#N)cc(N2CC[C@H](C)C3(CCCCC3)C2)n1 1472763126 NQJXQNJETOYWJR-AWEZNQCLSA-N 298.434 3.707 30 20 CHED C=C(CC(C)C)C(=O)NC[C@H]1CCCC(F)(F)C1 1548701274 PZZNKKXMKIBDFD-LBPRGKRZSA-N 259.340 3.530 30 20 CHED CO[C@H]1CCC[C@H](Sc2ccc(C#N)cc2F)C1 1613565904 KQZQGBSPPBZRJU-RYUDHWBXSA-N 265.353 3.747 30 20 CHED CCCC[C@@H](C(=O)N(CCC#N)CC(C)C)C(C)C 1544093290 BQZAICGSXCMOPO-OAHLLOKOSA-N 266.429 3.847 30 20 CHED CCCCN(Cc1ccc(C#N)cc1F)CC(F)(F)F 119975915 NJSLKKRYLAQEFF-UHFFFAOYSA-N 288.288 3.862 30 20 CHED N#Cc1cc(=N[C@@H]2CCCC[C@H]2Cc2ccccc2)cc[nH]1 1642220909 DXHWRQUZBVBXLY-QFBILLFUSA-N 291.398 3.589 30 20 CHED Cc1ccc2c(c1)N([C@H](C)c1cccc(C#N)c1)CC2 1652732079 BFFAVYNYGBQRIZ-CQSZACIVSA-N 262.356 3.990 30 20 CHED CC[C@@H](C)[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)OC 1659042427 RVPKONXNCZIPKZ-DNVCBOLYSA-N 298.430 3.708 30 20 CHED Cc1cc(C)c(/C=C/CN2CCC[C@H](C#N)C2)cc1C 1653090815 DUMMMWZBGKXHAI-QQOXCAACSA-N 268.404 3.861 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc(C(=O)O)cc1Cl 1588692710 IJFPGDMKDPBXEA-VIFPVBQESA-N 282.723 3.546 30 20 CHED C=C(CC(C)C)C(=O)Nc1c(C)sc(C)c1C(=O)O 1588605823 PDHCHNYAJNPJRA-UHFFFAOYSA-N 281.377 3.604 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1587347454 MQLQKLAVCICEPJ-QWHCGFSZSA-N 296.374 3.589 30 20 CHED CCCCC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1587908116 QVHNNUIDDSZHQB-UHFFFAOYSA-N 274.364 3.864 30 20 CHED CCCC[C@H](SCc1cc(C#N)ccc1F)C(=O)O 1595654467 CIFXGGNBXQXRIC-ZDUSSCGKSA-N 281.352 3.574 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(C#N)cc2)[C@@H]1C 1666946746 XJSAEHAWYUBNFX-UMVBOHGHSA-N 285.391 3.752 30 20 CHED Cc1cc(C#N)nc(N(CCC(C)C)CCC(C)C)n1 232553292 YRUPTXLPEIPXTC-UHFFFAOYSA-N 274.412 3.555 30 20 CHED CC(C)(C#N)CCCOc1ccc2c(c1)C(=O)CCC2 232537857 VXGLCAKMUPUPRH-UHFFFAOYSA-N 271.360 3.914 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC2CCCCCC2)C1 1776153054 GNUITUFLQRQNSV-KRWDZBQOSA-N 279.424 3.700 30 20 CHED Cc1c(NN=C[C@@H]2CCc3ccccc32)cccc1C(=O)O 1776087791 WUAIGNBXSDSADO-AWEZNQCLSA-N 294.354 3.821 30 20 CHED C=CCCCCCCCCNc1cnc(C(=O)O)cn1 1776208043 ZWGATSPZLIAUBH-UHFFFAOYSA-N 277.368 3.503 30 20 CHED CC(C)c1ccccc1OC(=O)COc1ccccc1C#N 14725685 ASDZKFBEHJLNES-UHFFFAOYSA-N 295.338 3.666 30 20 CHED CCOc1cc(C)ccc1CNc1nc(C)ccc1C#N 161812275 IAKAWVFLGZDXRP-UHFFFAOYSA-N 281.359 3.581 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1Cl 162851718 IDXNQASPHRWXOU-UHFFFAOYSA-N 295.773 3.715 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3c2OCO3)cc1C 206946668 NKKOEFUFIKQWKP-HJWRWDBZSA-N 280.323 3.928 30 20 CHED Cc1cccc(Cl)c1NC(=O)CNc1cccc(C#N)c1 163551372 CHDVEOHZWIRJHX-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CCOCC1 167149339 QNBLPAQWZGCHOC-JTQLQIEISA-N 298.308 3.804 30 20 CHED CCCc1ccc(-c2nc(NC(=O)CC#N)sc2C)cc1 153499938 MSGJCBXRQAMMGF-UHFFFAOYSA-N 299.399 3.923 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 155042857 NKDCFQIGZBKPED-SFHVURJKSA-N 298.430 3.515 30 20 CHED CSC[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 157252785 DQZXJMNNIXHBHS-HNNXBMFYSA-N 279.836 3.519 30 20 CHED CCCCCCCCC(=O)N1CC[C@H]2[C@H](CCCN2C)C1 154650869 UQSACDMTOULGDX-SJORKVTESA-N 294.483 3.680 30 20 CHED C[C@H]1Cc2ccccc2N1c1nccc(C#N)c1Cl 235716381 DXGSODXUFZNCMS-JTQLQIEISA-N 269.735 3.689 30 20 CHED CC(C)Oc1ccccc1CNc1ccc(C#N)cc1 37212057 FLVCHQTXLQRAKK-UHFFFAOYSA-N 266.344 3.958 30 20 CHED Cc1cc(Cl)cc(C(=O)N(CC#N)C2CCCC2)c1 130550018 MOVICGGWXUOVAV-UHFFFAOYSA-N 276.767 3.557 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 35175656 JRUKQVQFJSOXHL-HUUCEWRRSA-N 272.367 3.709 30 20 CHED C=CC[C@@H](CC)NCc1nn(CC)c2ccccc12 281288794 ILKCDHWQSSFYHZ-CYBMUJFWSA-N 257.381 3.501 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1)C1CCCCC1 52343164 FZHBBJCKOYDRPS-INIZCTEOSA-N 270.376 3.647 30 20 CHED Cc1cc(N2CCC[C@@H](C(C)C)CC2)cc(C#N)n1 308270491 JDVPLZSJTVALFK-CQSZACIVSA-N 257.381 3.524 30 20 CHED Cc1cc(NCCc2ccc(Cl)cc2)cc(C#N)n1 308279989 QFOVYIKWLXGACM-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CCC[C@H](NCc1ccc(C#N)c(F)c1)C1CCC1 404235324 TUHQZHXUPKPBAK-INIZCTEOSA-N 260.356 3.756 30 20 CHED C#Cc1cccc(NCc2cnc3ccccc3c2)c1 312161683 QARIFPBFMWHVCX-UHFFFAOYSA-N 258.324 3.828 30 20 CHED C[C@H]1CC(NCCc2cccc(C#N)c2)C[C@H](C)C1 466424502 IFXVAPJDDJRLHU-ZIAGYGMSSA-N 256.393 3.515 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 617784500 TVFSGAUPNLVVBX-ZDUSSCGKSA-N 268.360 3.596 30 20 CHED C=C[C@H](CO)N[C@@H](CC)c1ccc(Cl)cc1Cl 353565902 LHEVZXURMVIORT-MFKMUULPSA-N 274.191 3.581 30 20 CHED CO[C@H](CNc1ccc(C(F)(F)F)cc1C#N)C(C)C 336829600 DCWKVCBMQFAJMH-CYBMUJFWSA-N 286.297 3.660 30 20 CHED CC1(C)CN(c2nccc(C#N)c2Cl)[C@@H]2CCC[C@@H]21 381258746 WUYMMNPZXSBSKI-NWDGAFQWSA-N 275.783 3.622 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2ccc(C#N)cc2Cl)C1 383238084 UUCYYBIAGRIFQU-PWSUYJOCSA-N 276.767 3.976 30 20 CHED Cc1ccc(CN2CCC[C@@H](CC#N)C2)c(Cl)c1 397660460 CKPRPQKPPQVJQN-ZDUSSCGKSA-N 262.784 3.774 30 20 CHED CCc1nc2c(s1)[C@@H](N(C)CC1(C#N)CCC1)CCC2 450595377 KVMZOEPWLHDKQG-ZDUSSCGKSA-N 289.448 3.709 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1C1CCCC1 56034467 HCUOWWFKXPJQDB-DXRVJIQQSA-N 294.398 3.753 30 20 CHED O=C1/C(=C\c2cc(F)c(O)c(F)c2)CCc2ccccc21 175315840 PWVXDUQQKYXMAK-GHXNOFRVSA-N 286.277 3.883 30 20 CHED CCC[C@@H](CC)NC(=O)c1cccc(SCC#N)c1 175699661 ITNXFKGMYOCRAX-CYBMUJFWSA-N 276.405 3.611 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)Nc1ccc(C#N)cc1)C1CC1 109846890 BDNXNPVFHJNVLE-CHWSQXEVSA-N 285.391 3.989 30 20 CHED Cc1ccc(Sc2ncccc2C(=O)OCC#N)c(C)c1 22859506 SHFZZUJHQIBHTN-UHFFFAOYSA-N 298.367 3.530 30 20 CHED C[C@H](NC(=O)c1cccc(CC#N)c1)[C@H](C)c1ccccc1 177191117 XXSWGGQVAAJYFZ-GJZGRUSLSA-N 292.382 3.675 30 20 CHED C=C(C)CN(CC)C(=S)Nc1cc(C)ccc1F 65695668 IMXFAPZUOBXBEI-UHFFFAOYSA-N 266.385 3.729 30 20 CHED C[C@@H](CSc1ccccc1)C(=O)Nc1cccc(C#N)c1 110162584 WQAAMQQAMQIJHG-ZDUSSCGKSA-N 296.395 3.925 30 20 CHED C#CCCCN[C@H](C)c1ccccc1OC(F)(F)F 178053814 LBFYYVGTVOFPIQ-LLVKDONJSA-N 271.282 3.649 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cc(F)ccc2F)c1C 65722832 QGXVWBNHPXEWLT-VMPITWQZSA-N 290.313 3.694 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1344586999 DFAUOULSBUJHJL-QMMMGPOBSA-N 291.700 3.868 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c(C)cccc1Cl 174425893 GHSMNJGXXPYNNK-NSHDSACASA-N 267.756 3.568 30 20 CHED C=CC1CCN(C(=O)Nc2cc(C)ccc2C)CC1 111699271 XVERZEUTVGDHJS-UHFFFAOYSA-N 258.365 3.733 30 20 CHED Cc1cnc([C@@H](NCc2ccc(C#N)cc2)C2CC2)s1 174545558 OOGPBXIMRSLPRN-HNNXBMFYSA-N 283.400 3.564 30 20 CHED C=C(C)CN1CCC(Nc2cccc(C(F)(F)F)n2)CC1 301184329 RAUBOFYMOBGTJC-UHFFFAOYSA-N 299.340 3.553 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)cc1 175645606 MECNQGZGFWRGHV-CYBMUJFWSA-N 273.376 3.512 30 20 CHED CC(C)(CCC#N)CNCc1cccc(CN2CCCC2)c1 174256450 JPMKNBCXZZXIPA-UHFFFAOYSA-N 299.462 3.702 30 20 CHED C[C@H]1C[C@@H]1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23446971 VUHBIOCONLOPIE-UGSOOPFHSA-N 291.350 3.924 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(C)s1 129129607 PCEORYFSVZMHIQ-ZIAGYGMSSA-N 265.422 3.521 30 20 CHED CN(Cc1cccs1)c1ccc(C#N)c(Cl)c1 61850857 PFQHLUVADUNVRH-UHFFFAOYSA-N 262.765 3.910 30 20 CHED N#CCCN(CCc1ccc(F)cc1)C1CCCC1 123475163 BDFVHFRNJRMEER-UHFFFAOYSA-N 260.356 3.526 30 20 CHED CCN(CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 127625963 VCQBPDPEBMJWLG-UHFFFAOYSA-N 274.261 3.580 30 20 CHED C[C@@H](C#N)NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 68925497 YTVDVGQUEMPWTD-CMPLNLGQSA-N 290.432 3.541 30 20 CHED CC(C)(C#N)CCCN1CCCOc2ccccc21 123724277 FLMYYRIWDUKLHQ-UHFFFAOYSA-N 258.365 3.605 30 20 CHED CC(C)(C)[C@H](Nc1ccc(C#N)nn1)c1cccc(F)c1 301913031 CJFWGBIZCQYZJB-OAHLLOKOSA-N 284.338 3.687 30 20 CHED C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc2ccccc12 181147316 MDWRGUKUWJVHJM-LBPRGKRZSA-N 289.338 3.531 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1c[nH]c2cc(C)ccc12 182612519 UEPXIKNOABCABS-CQSZACIVSA-N 284.403 3.880 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(-c2ccsc2)nc1C 183839839 RKRSWHWLZRJXEV-ZDUSSCGKSA-N 299.399 3.541 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412368439 NXMHQKFZJMUDGC-IXDOHACOSA-N 296.414 3.604 30 20 CHED CC[C@H](CC#N)OC(=O)c1oc2ccccc2c1C 188058763 NILWAAJOZKIDOS-LLVKDONJSA-N 257.289 3.590 30 20 CHED CCc1cccc2c1N(C(=O)c1cccc(C#N)c1)CCC2 74016979 LIXXBECQXGQERD-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C#CCCCCC(=O)Oc1ccc(OC)cc1CC=C 120380090 KOLHWMSKXNNTDI-UHFFFAOYSA-N 272.344 3.523 30 20 CHED C=CCOc1cccc(CNc2cccc(CNCC)c2)c1 414871801 ULQMVGZYDLSEKO-UHFFFAOYSA-N 296.414 3.973 30 20 CHED CCc1nnc(N[C@H]2CCC[C@@H](CC)C2)c(C#N)c1CC 124989936 MMFKEZUPZGGSKW-OLZOCXBDSA-N 286.423 3.854 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)CCc2ccc(C#N)cc2)C1 129350614 AEIIEJLOARLRAV-PBHICJAKSA-N 284.403 3.576 30 20 CHED Cc1ccc(N(C[C@H](O)c2ccc(C#N)cc2)C(C)C)cc1 125707481 JHTMIGGOBGRTRS-IBGZPJMESA-N 294.398 3.815 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCC(=O)c1ccc(C)cc1 182615383 KNCRVMYPZSAHON-OAHLLOKOSA-N 287.403 3.819 30 20 CHED C[C@@H](N[C@@H]1C[C@H]1c1ccccc1F)c1cccc(C#N)c1 414164265 APXLLZSRDRXMQD-PZPSRYQVSA-N 280.346 3.904 30 20 CHED Cc1ccc(CC(C)(C)NCCCSCC#N)cc1 419341793 ZDAJHXIEOWDNHX-UHFFFAOYSA-N 276.449 3.553 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1cc2ccccc2o1 188440055 PTUWRXWZSWFAQD-KRWDZBQOSA-N 271.360 3.694 30 20 CHED CCCC[C@@H](C)C(=O)N(CCC#N)CC(CC)CC 503289742 UPRASGPZYZXMQL-CQSZACIVSA-N 266.429 3.991 30 20 CHED C=CC[C@H](CC)NC(=O)c1sc(C(C)(C)C)nc1C 410124386 SQWUOTUUEQXSQT-NSHDSACASA-N 280.437 3.834 30 20 CHED C=C(C)CN(C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 181279583 HWMHFFSQJSIXNO-UHFFFAOYSA-N 299.393 3.508 30 20 CHED C=CCC[C@@H](Nc1cc(OC)c(OC)c(OC)c1)C1CC1 182702205 JOIRCFDRXOGOJO-CQSZACIVSA-N 291.391 3.869 30 20 CHED N#Cc1ccc(NC(=O)c2ccccc2OCC2CC2)cc1 132906103 KFEUNTVRFRRIFN-UHFFFAOYSA-N 292.338 3.599 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CCc1ccc(Cl)s1 503668504 WZLKBDXNTDHBLF-AWEZNQCLSA-N 298.839 3.779 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1c(F)cccc1F 182764759 KTQLIZMMOFZVBF-JTQLQIEISA-N 268.307 3.831 30 20 CHED C[C@H](CN[C@H]1CCC[C@H](C#N)C1)Oc1ccccc1Cl 185844133 HOZARSDHXBAOAG-RDBSUJKOSA-N 292.810 3.779 30 20 CHED OC(CC/N=C(/O)[C@H]1CC12CCCC2)=Nc1cccnc1 329986214 DYVQTENUSSDAPY-CYBMUJFWSA-N 287.363 3.597 30 20 CHED CC[C@@H]1CCN(c2ccc(C#N)c(Br)c2)C1 228194855 PCQBJYGBODEYMF-SNVBAGLBSA-N 279.181 3.557 30 20 CHED C[C@H]1C[C@@H](C(=O)N2CCc3cc(C#N)ccc32)CC[C@H]1C 416014932 PYKYSTLIIOYJFW-WWGRRREGSA-N 282.387 3.520 30 20 CHED CCCC1(CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 134193759 AWPLLZOQKOBISO-MRXNPFEDSA-N 299.418 3.911 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)C(C)(C)C 505706439 NWCAWZHOEZASGR-MFKMUULPSA-N 278.783 3.703 30 20 CHED Cc1n[nH]c(C)c1/C=C1/C[C@@H](C)c2ccccc2C1=O 131156760 WWUMYQZMNRIWIL-PEHNMLCRSA-N 266.344 3.800 30 20 CHED CCC(CC)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505954112 LQPRCSYOGRYYRM-CYBMUJFWSA-N 298.308 3.822 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(OCCC)cc1 190716150 GPCKEBXZJCEFBP-KRWDZBQOSA-N 275.392 3.694 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2c1ccc(C#N)cn1 504193499 IHCAUASBPFSGRB-UHFFFAOYSA-N 277.371 3.945 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1nc(C)c(C)o1 49205545 KHKCWXZTCGNBLL-UHFFFAOYSA-N 291.376 3.573 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CC[C@H](C#N)C1 425275163 SVUVCFNVMLYDNO-JOYOIKCWSA-N 279.265 3.681 30 20 CHED CC1(C)CCC[C@@H]1C/N=C(/O)C[C@@H]1CCCC(O)=N1 329361707 CPYZGEDCEISMBG-NEPJUHHUSA-N 266.385 3.668 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(C(F)(F)F)c1 425268793 AFYOUGYZZZJVKL-GXSJLCMTSA-N 279.265 3.681 30 20 CHED C#CCN(C)C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 191037107 JTCMFCBITPVRHP-OAHLLOKOSA-N 293.366 3.532 30 20 CHED C=CCC[C@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1ccco1 425934849 FNNJHSIMTUQIRB-OVWQWFNUSA-N 289.419 3.818 30 20 CHED Cc1nccc(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 328781468 FSJJVFZMARLIAW-BFHYXJOUSA-N 273.380 3.980 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCSC(CC)(CC)C1 424774366 GYQVRPYXUKXQSW-UHFFFAOYSA-N 269.454 3.723 30 20 CHED CO[C@@H](CC(C)C)CN(C)[C@H](C)c1cccc(C#N)c1 425543448 ZMKPIHOSWQJXOJ-PBHICJAKSA-N 274.408 3.612 30 20 CHED N#CCCCSCc1ccn(-c2ccc(F)cc2F)n1 192116795 SDVPSWXFBPIUDU-UHFFFAOYSA-N 293.342 3.687 30 20 CHED CC1(C)CN(CCCC2(C#N)CCOCC2)[C@@H]2CCC[C@H]21 339715175 CEQZNSGIBJLCHB-HZPDHXFCSA-N 290.451 3.597 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](CN)c2ccc3ccccc3c2)C1 423362174 AYEPEGBFCRBWLE-MDASCCDHSA-N 293.414 3.512 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)cc2F)CCC1 190359952 PQXUBBVJNNGNQT-UHFFFAOYSA-N 251.276 3.650 30 20 CHED N#Cc1ccc(NCCCc2c[nH]c3ccc(F)cc23)cn1 336894345 LVQPMHFNZBQLGB-UHFFFAOYSA-N 294.333 3.618 30 20 CHED Cc1cc(C)c2oc(N3CCC(CC#N)CC3)nc2c1 336195625 XMISADIWHXBUEO-UHFFFAOYSA-N 269.348 3.575 30 20 CHED C=CCN(C)C[C@H](C)c1cccc(Br)c1 428396547 CYICDZGXDUWVFF-NSHDSACASA-N 268.198 3.670 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2cccc(CC#N)c2)CC12CCC2 333613303 FGKKZGUTVARAJE-MRXNPFEDSA-N 297.402 3.795 30 20 CHED C=CCn1c(C(C)C)nnc1N1CC[C@H](C)C2(CCC2)C1 337894464 CGHYOIQOSXXJRP-AWEZNQCLSA-N 288.439 3.604 30 20 CHED CCCC(=CC(=O)N(CCC#N)Cc1cccnc1)CCC 92346953 XENVDWRPWWBYAP-UHFFFAOYSA-N 299.418 3.850 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(c3cccc(F)c3F)CC2)C1 335665999 NBOHUYSXZZWQOS-GXTWGEPZSA-N 290.357 3.836 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(C#N)cc1Cl 439435877 GGAMOFNRVQEISJ-UHFFFAOYSA-N 289.810 3.973 30 20 CHED CC[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 438506537 SWROAXRICHRFIR-CYBMUJFWSA-N 297.320 3.669 30 20 CHED CC(C)(CCC#N)CN(Cc1ccco1)C[C@@H]1CCCO1 92437443 NNQHJCBODJTXDF-INIZCTEOSA-N 290.407 3.591 30 20 CHED C=CCCS[C@@H](C)c1cc(C(=O)OC)c(C)o1 431089355 ZJJGHFGKXWNEST-JTQLQIEISA-N 254.351 3.745 30 20 CHED N#CC1(CSCc2ccc(C(F)(F)F)cn2)CC1 340625755 QLLZJSLRIXJGMW-UHFFFAOYSA-N 272.295 3.637 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 248407119 BLDRGNHBOBVFJA-XGWLTEMNSA-N 297.402 3.909 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 345752483 AOKFNIKKZIMIEG-MAUKXSAKSA-N 292.382 3.636 30 20 CHED Cc1cc(C(=O)NCC(C)(C)CCC#N)ccc1Cl 345883072 JMKICVYYGUVKNK-UHFFFAOYSA-N 278.783 3.708 30 20 CHED C[C@H](NCc1cc(C#N)cs1)[C@H]1C[C@H]2CC[C@H]1C2 246257437 UIXKVTLWMVZXGY-TZQJONAQSA-N 260.406 3.534 30 20 CHED N#Cc1ccnc(N[C@H]2CCc3c(Cl)cccc32)c1 341760001 XIQZJJQVPVZCEP-AWEZNQCLSA-N 269.735 3.706 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)cc1 602503797 RJZBZTWRPJXNQP-CYBMUJFWSA-N 292.810 3.529 30 20 CHED C=CCC[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 435392121 AAGVQQDVOARHMJ-AWEZNQCLSA-N 279.330 3.855 30 20 CHED C[C@@H](C#N)C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 609920166 OZQVWPQZBMHLRX-XJKSGUPXSA-N 284.403 3.807 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cn(C)nc2C)c(C)c1 255674292 GWMQXFJAUSFSLS-SREVYHEPSA-N 268.360 3.550 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 609129468 UVTWUQXLAGTGNF-STQMWFEESA-N 298.308 3.531 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(OC)c2cccnc12 602308740 LIZOEVJEIVPTCM-UHFFFAOYSA-N 297.358 3.512 30 20 CHED CCSc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 349798594 FRVXMVVCPBBNHO-OCCSQVGLSA-N 260.406 3.580 30 20 CHED C=CCn1c(SCCCC(C)=O)nc2ccccc21 253611471 AHKLKGBYSJLIFL-UHFFFAOYSA-N 274.389 3.684 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3c(c2)c(C)nn3C)s1 255135843 LBDINCYQXZQLKG-WAYWQWQTSA-N 297.383 3.543 30 20 CHED C=CCNC(=O)NCc1ccc(-c2cccc(C)c2)cc1 605211270 GLGDZJOBAGEMKG-UHFFFAOYSA-N 280.371 3.647 30 20 CHED CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(SCC#N)c1 430696716 BZMPUKPGJVXNGS-JSGCOSHPSA-N 288.416 3.563 30 20 CHED CCc1cnccc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 344296367 LVHLHKFXZHIOPE-UONOGXRCSA-N 279.387 3.927 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc2ccccc2n1C 526069600 QSVFHVJOTMKFLX-UHFFFAOYSA-N 297.402 3.723 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC(C)(C)C[C@H]1C 527326218 ICCOAFHBWZSNNR-JKIFEVAISA-N 281.440 3.546 30 20 CHED C=C(CC)CN[C@H](C[C@H]1CCOC1)c1ccccc1 342231357 OAZYLWIBRBSGIH-NVXWUHKLSA-N 259.393 3.710 30 20 CHED N#C[C@H]1CCC[C@H](NC2(Cc3ccccc3)CCC2)C1 447589055 WUPRYPWMQPMEFI-IRXDYDNUSA-N 268.404 3.824 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H]1CCCSC1)c1ccccc1 355173918 YOBZNBQYEQAVDO-HZPDHXFCSA-N 289.444 3.953 30 20 CHED COc1cc(C(=O)/C=C\c2cc(F)cc(F)c2)ccc1O 255625190 JSLWBZDADOSYNZ-RQOWECAXSA-N 290.265 3.575 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N(C)CC(C)(C)CCC#N 355205849 KNKRQHYKVWUMGF-CABCVRRESA-N 280.456 3.842 30 20 CHED CC[C@H](CC#N)N[C@@H](C)CCc1c[nH]c2ccccc12 602609259 AOPWMYVMYHRXJF-DZGCQCFKSA-N 269.392 3.771 30 20 CHED C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccccc1 533289158 WPHDZGVEGZFWFB-HNNXBMFYSA-N 274.408 3.692 30 20 CHED C=CCC1(C(=O)NCc2cc(F)cc(F)c2)CCCC1 449507536 TZAXNOHNBYGPOK-UHFFFAOYSA-N 279.330 3.718 30 20 CHED C=CCOc1cccc(NC(=O)CC[C@@H](C)SC)c1 358470348 HDEJPUWXFUZVQV-GFCCVEGCSA-N 279.405 3.722 30 20 CHED Cc1ccc(-c2noc([C@H](C)ON=C3CCC3)n2)cc1F 266648154 XBRFDOYADGCNEB-JTQLQIEISA-N 289.310 3.802 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)O[C@H](CC)C2)CCCCC1 448957308 RVQUSQOTMNIREZ-LSDHHAIUSA-N 279.424 3.539 30 20 CHED C[C@@H]1c2cccn2CCN1CC#Cc1cccc(Cl)c1 448454998 PSQXEFWWQUSRSG-CQSZACIVSA-N 284.790 3.570 30 20 CHED CCC[C@H](C)N(C)Cc1cccc(OCCCC#N)c1 350313623 ADVGODJTUDRWBT-HNNXBMFYSA-N 274.408 3.990 30 20 CHED C=CC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 441384528 BVFJARASQKOMLY-GFCCVEGCSA-N 260.337 3.554 30 20 CHED Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 611465979 BFONXAQEUNLICM-OLZOCXBDSA-N 283.350 3.813 30 20 CHED CC[C@H](NC[C@H](C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1 447537524 WMMDTJLGIFQLLF-GJYPPUQNSA-N 299.462 3.719 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N[C@H](C#N)CC(C)C 611251586 XIWPDYWAVGYGHP-ZFWWWQNUSA-N 290.432 3.612 30 20 CHED N#Cc1nccnc1N1C[C@H](c2ccccc2)c2ccccc21 443958428 GPSBNDZQNNHSFL-MRXNPFEDSA-N 298.349 3.632 30 20 CHED C=CC[C@@H](C)N[C@H](c1ccc2nc(O)oc2c1)C(C)C 359317922 UIFWQBLGIHXZRO-ABAIWWIYSA-N 274.364 3.785 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/Cc2ccco2)cc1 262300350 NUSJEJPVCPAVCN-LBPRGKRZSA-N 271.364 3.720 30 20 CHED CN(CCCCC(C)(C)C#N)CCc1ccccc1O 444676557 QWZTZYHWUMPRAI-UHFFFAOYSA-N 274.408 3.587 30 20 CHED C=CCCC1(C(=O)N2CCCc3ccccc3C2)CC1 355806309 WOYRIAOBBFMSLB-UHFFFAOYSA-N 269.388 3.708 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccnc(SCC)c2)C1 617785314 IVGZHDKCSMJJPB-CYBMUJFWSA-N 290.432 3.622 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc(C)ccc1C 352591306 RMPVMLSFGRLNMU-UHFFFAOYSA-N 283.371 3.767 30 20 CHED C[C@@H](NC(=O)[C@@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 611118313 RTKLXIKTXIOSHL-CZUORRHYSA-N 284.403 3.952 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C#N)s1 611561530 YJDFBFYWSYICHH-NXEZZACHSA-N 288.338 3.783 30 20 CHED C=C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)OC 619699933 SHHCQQTTXSFKFI-AWEZNQCLSA-N 281.311 3.726 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cc(C)cs1 454804394 JDIVBBOANWSBDA-GFCCVEGCSA-N 266.410 3.601 30 20 CHED C[C@H]1CCC[C@@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 611142265 IOZSLPHPNUMPNA-UFBFGSQYSA-N 297.185 3.783 30 20 CHED N#C[C@]1(F)CCN(Cc2ccccc2Oc2ccccc2)C1 615641043 RMOVBKDVJRTNTN-GOSISDBHSA-N 296.345 3.916 30 20 CHED N#Cc1ccc(/C=C\c2nc([C@H]3CCCS3)no2)cc1 612948903 FBYHFQYSXCAJFL-MEJMFZKBSA-N 283.356 3.680 30 20 CHED Cc1ccccc1[C@H]([C@H](C)N[C@H]1CCC[C@@H](C#N)C1)N(C)C 618577601 MIURGYTXLTXYPZ-ZMMAXQRCSA-N 299.462 3.658 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)C#N 618343561 YCQMNWJWIMGQLA-UHFFFAOYSA-N 267.716 3.518 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 452778635 YJKUDEAURMTMBP-YIYPIFLZSA-N 287.403 3.835 30 20 CHED CCS[C@H](C)c1noc([C@@H](C)c2cccc(C#N)c2)n1 361263836 WCUILUCZRDIRJH-WDEREUQCSA-N 287.388 3.907 30 20 CHED CCC[C@@H]1CCCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 612636106 NASXIDSVBLMYTJ-RHSMWYFYSA-N 299.418 3.983 30 20 CHED CC#CCCCC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 279706748 XFDPFNRIEXQHNF-HOTGVXAUSA-N 296.414 3.807 30 20 CHED Cc1ccc(C)c(-n2ncc([C@H](C)NCCCC#N)c2C)c1 273293221 SQQVTWZPINTBCX-HNNXBMFYSA-N 296.418 3.752 30 20 CHED C=C(CC)CNC(=O)Cc1ccccc1OC1CCCC1 457841797 IHPOCXRQNOLVSU-UHFFFAOYSA-N 287.403 3.633 30 20 CHED Cc1ccc(SCC(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 272434745 RJWFMUICGPYJGL-INIZCTEOSA-N 290.432 3.532 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC(C)C)cc1F 454649263 ZZUWMXNIFVDXFB-UHFFFAOYSA-N 280.343 3.701 30 20 CHED C=CC(C)(C)CNC(=O)N1CCSC2(CCCCC2)C1 455359314 ARFKVWBLUFIOLW-UHFFFAOYSA-N 296.480 3.660 30 20 CHED C=CC[C@@H](C)NC1CCN(Cc2ccc(Cl)cc2)CC1 272959095 VZCRSXUIEROLKB-CQSZACIVSA-N 292.854 3.859 30 20 CHED CC#CCSCc1coc(-c2ccc(F)c(F)c2)n1 464075729 CXVDPRBILQRAIX-UHFFFAOYSA-N 279.311 3.876 30 20 CHED C=CCN(C(=O)c1csc(CC(C)C)n1)C(C)(C)C 622943617 KDQKIISYNIJKTC-UHFFFAOYSA-N 280.437 3.768 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 375640319 OIELVCJPTZVMJO-ZBFHGGJFSA-N 290.382 3.679 30 20 CHED C=CCOCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 549920011 YVLNHQLSGAXVDU-SFHVURJKSA-N 284.403 3.898 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(OCC)cc1 466363106 TWGHEUOMGDHLHI-QGZVFWFLSA-N 275.392 3.646 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 282185530 GAGDCAISCFQXEY-GMXVVIOVSA-N 298.308 3.928 30 20 CHED N#Cc1ccc(NCc2c(F)cccc2OC(F)F)cc1 467029258 RQNJRZHXFQWOLN-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1cccs1)C1CC1 281547975 ZSCHIUHSWFEYLG-GFCCVEGCSA-N 278.421 3.777 30 20 CHED C[C@H](C#N)C(=O)N(Cc1ccccc1Cl)C1CCCC1 468876142 GPBNEVNSQRKHSL-GFCCVEGCSA-N 290.794 3.771 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnn(-c2ccccc2)c1C 282010047 RDVHGSFMIBWZSE-AWEZNQCLSA-N 298.390 3.657 30 20 CHED CC#CCn1cc(Br)c(-c2ccc(C)cc2)n1 464093026 GQWSWHBLLORSON-UHFFFAOYSA-N 289.176 3.644 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCc2ccccc21 466546948 WSTDDBFKXXXJFW-MAUKXSAKSA-N 271.404 3.825 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 370022875 VOUUUBFSAVLWOP-KBMXLJTQSA-N 287.407 3.529 30 20 CHED C=CCC1(CN[C@H]2CCOC(C)(C)C2)CCCC1 634684074 GOWUNSZJKHQXPI-AWEZNQCLSA-N 251.414 3.670 30 20 CHED C=CCC[C@@H](NCc1cc(CC)no1)c1ccco1 552045411 GLJQTDSZKUAUSU-CQSZACIVSA-N 260.337 3.627 30 20 CHED C[C@@H](CCNC(=O)c1ccc(C#N)s1)CC(C)(C)C 468078311 GWFKZYLHWNZBQX-NSHDSACASA-N 278.421 3.812 30 20 CHED C=CCC[C@@H](CCC)NCCc1cccc(C#N)c1 467432555 LRMNKKDHNXFVAG-QGZVFWFLSA-N 256.393 3.825 30 20 CHED C=CCC(CC=C)C(=O)N1CCCC[C@H](SCC)C1 467342172 RZHCBJXFAJQKJW-HNNXBMFYSA-N 281.465 3.889 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(NC)c1 638007738 ORVKJAZZLKKOLD-UHFFFAOYSA-N 260.381 3.547 30 20 CHED C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)CC 460378485 CFTQFFBZRHDYIG-GFCCVEGCSA-N 288.395 3.657 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccccc1CC#N 559244821 ACZQDBXPALFUAG-UONOGXRCSA-N 296.395 3.865 30 20 CHED O=C(/C=C\c1cnccn1)c1cc2ccccc2s1 809156387 GVAWUOOXYPXSOS-WAYWQWQTSA-N 266.325 3.587 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 477765993 OESBGEONQMDPPU-VIKVFOODSA-N 285.391 3.813 30 20 CHED CC(C)(C#N)N1CCC(CCc2ccccc2)CC1 552936149 POUAKIVETIIPFO-UHFFFAOYSA-N 256.393 3.633 30 20 CHED C=C(Cl)CN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 299198568 FGOCBKFOFDUWNQ-SNVBAGLBSA-N 295.745 3.587 30 20 CHED C[C@H](CCC#N)N(C)CCc1cccc(Br)c1 298069893 GWHMIJKUXUABGE-GFCCVEGCSA-N 295.224 3.616 30 20 CHED Cc1cc(OC(=O)c2cc(C(C)C)on2)c(C)c(C)c1C#N 809038324 WJIUYRNHBCNTBH-UHFFFAOYSA-N 298.342 3.814 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@@H](C2CC2)C1 806005327 ZOOGBFIXPJJPJG-OAHLLOKOSA-N 264.413 3.564 30 20 CHED C=CCSCCNC(=O)CCCCC(C)(C)C 561099484 LAIMRFRSVSFWAA-UHFFFAOYSA-N 257.443 3.628 30 20 CHED CC[C@@H](NCC1(OC)CCCC1)c1ccc(C#N)cc1 297464462 YBYVFQIAJWPDGB-MRXNPFEDSA-N 272.392 3.558 30 20 CHED C=CCCC1(C(=O)NC/C=C\c2ccccc2)CC1 475913743 ZCOJDPLWTIRIGS-YFHOEESVSA-N 255.361 3.562 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 809642626 LFKUIQPBOPSJMF-HNNXBMFYSA-N 278.399 3.585 30 20 CHED CCC(C)(C)C1CCC(CC(=O)O[C@H](C#N)COC)CC1 801475474 OAZWEEDBKQETFT-YMAMQOFZSA-N 295.423 3.701 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2csc(C)c2)C1 640638226 ZLCVZJSKNKVWAL-GFCCVEGCSA-N 264.394 3.877 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(CN(C)C)c(Cl)c1 478057902 XYIBLQKHKCJCAV-INIZCTEOSA-N 294.826 3.942 30 20 CHED C=CCCCC(=O)NC[C@@H](c1ccccc1)C1CC1 294759034 ZTSGRICPAGKGMW-INIZCTEOSA-N 257.377 3.653 30 20 CHED C=CCCC1(c2nc(Cc3ccc(C)cc3)no2)CC1 565799603 JOFARGNJAYUEHH-UHFFFAOYSA-N 268.360 3.967 30 20 CHED N#CCCNCCSCc1cccc2ccccc12 566110276 YBRUCUFQNMRQHN-UHFFFAOYSA-N 270.401 3.576 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)c1ccc(Cl)cc1 649993314 MPIWGULXLTVRFA-BXUZGUMPSA-N 265.784 3.914 30 20 CHED CN(CC(C)(C)C#N)C(=O)C(C)(C)C1CCCCC1 817618051 RFHGEPJZEWEOEP-UHFFFAOYSA-N 264.413 3.601 30 20 CHED CCOc1ccccc1[C@H](CC)N=c1ccc(C#N)c(C)[nH]1 488067640 KGYQEQUNMCWSFT-INIZCTEOSA-N 295.386 3.646 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc(Cl)c(F)cc1Cl 816472906 WAMKNTNINBYZPD-MRVPVSSYSA-N 288.149 3.664 30 20 CHED N#Cc1ccc(F)c(COC(=O)[C@H]2CC3CCC2CC3)c1 814493770 DNHGSVJSNQCGDH-HGMXIMQMSA-N 287.334 3.567 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1ccccc1C(C)C 489410702 ZGQBXPNRIOMAMW-OAHLLOKOSA-N 286.419 3.789 30 20 CHED C=CCCCCOc1cc(OC)c(C(C)=O)cc1OC 562536776 HNCRHMDIFXRBIM-UHFFFAOYSA-N 278.348 3.642 30 20 CHED CCCCCCCCCCC(=O)N1C[C@@H](C)C[C@H](CO)C1 817632116 RJSANJIFETWGOE-IRXDYDNUSA-N 297.483 3.994 30 20 CHED OC[C@H](NN=Cc1ccc(C2CCC2)cc1)c1ccccc1 814919865 SEEXUPFIWRFNAN-IBGZPJMESA-N 294.398 3.611 30 20 CHED CC(C)Cc1ccc(CCC(=O)N[C@]2(C#N)CC2(C)C)cc1 484910149 LZKWHGXBMNTGSP-IBGZPJMESA-N 298.430 3.626 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1cc(C)c(C)cc1C 811662084 BPIRGILBYKRCOL-HNNXBMFYSA-N 276.449 3.679 30 20 CHED Clc1ccc(CNN=Cc2ccc3[nH]ccc3c2)cc1 811644842 NFNYPBLEJYTXDC-UHFFFAOYSA-N 283.762 3.945 30 20 CHED C=C(C)CNC(=O)N[C@@H](CC(C)C)c1ccccc1 488569958 CWABRNSGZNCDQB-HNNXBMFYSA-N 260.381 3.649 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(CNCC)c1 659018022 CDQPZILRWJZMJM-UHFFFAOYSA-N 289.423 3.662 30 20 CHED N#C[C@H](OC(=O)[C@H]1CCCCCC(=O)C1)C1CCCCC1 811381352 PKLJUJQIKHULKC-HOCLYGCPSA-N 291.391 3.542 30 20 CHED C=CCCCCCN[C@H](CO)c1ccc(CC)cc1 488294818 OPLSSBOKPFDDPL-QGZVFWFLSA-N 261.409 3.618 30 20 CHED CCc1ccc(CCC=NOC/C=C/Cl)cc1 811670553 VEEXYKXDBORHTQ-TZYNZRAYSA-N 251.757 3.937 30 20 CHED C#Cc1cccc(NC(=O)c2cn(CC)c3ccccc23)c1 819403230 QMVIAEJTNQGISV-UHFFFAOYSA-N 288.350 3.895 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(F)cc1OCC1CC1 815678348 ADEDXVDOZWIGTN-UHFFFAOYSA-N 299.292 3.764 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccnc(Cl)c1 811694056 PKTGAMKSDQHQKY-PLNGDYQASA-N 286.693 3.642 30 20 CHED COc1ccc(C[S@](=O)CCC(C)(C)C#N)cc1Cl 574972761 WDNBAXXNXNRUKL-LJQANCHMSA-N 299.823 3.537 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(C#N)ccc1F)C1CC1 826565164 MLWUMNQPRCILEU-VXGBXAGGSA-N 288.366 3.737 30 20 CHED C=CCC(C)(C)C(=O)OCC[C@@]1(C)C[C@]1(F)Cl 822041871 RSVIEFYYXKNMKI-QWHCGFSZSA-N 262.752 3.837 30 20 CHED Cc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c(C)o1 727640674 OMTGLGDVKIJFFM-NSHDSACASA-N 269.300 3.686 30 20 CHED Cc1cc2ncn(CN(CCC#N)CCC(C)C)c2cc1C 728901639 PBVBFWPNVYWTGN-UHFFFAOYSA-N 298.434 3.872 30 20 CHED C=CC[C@@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 661386861 VLJHMDHBYSXAIH-OAHLLOKOSA-N 257.377 3.677 30 20 CHED C=CCC[C@@H](CCC)NC1(CC=C)CCOCC1 668550541 BOWMRTYEAJVTIB-OAHLLOKOSA-N 251.414 3.836 30 20 CHED Fc1cccc(NN=C2CCCOc3ccccc32)c1 728429476 GNBNSBCDABBQCU-UHFFFAOYSA-N 270.307 3.815 30 20 CHED C=CCCCCNc1ccc(F)c(NC(=O)OC)c1 497067053 VEAFLBJYHDJWEM-UHFFFAOYSA-N 266.316 3.772 30 20 CHED CC[C@@H](CNc1cccnc1C#N)c1ccccc1 589557647 FRKPZHLIJVCSTG-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED C=CCC1(NC[C@@H](C)c2ccccc2)CCOCC1 668551726 VFPZAPHTCKLAQR-OAHLLOKOSA-N 259.393 3.505 30 20 CHED Cc1cncc(C(=O)/C=C\c2c(F)cccc2F)c1 588476510 GIUOEXNLHMYMOX-WAYWQWQTSA-N 259.255 3.564 30 20 CHED CS[C@@H]1CCCC(=NNc2nccnc2C2CCC2)C1 901239100 MBNYLJNRIWABDF-CYBMUJFWSA-N 290.436 3.818 30 20 CHED CNc1ccc(C)cc1CNc1ccccc1O[C@@H](C)C#N 902469214 ZDAPUSDKKHXJLJ-AWEZNQCLSA-N 295.386 3.940 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1snc(C)c1C#N)CC2 587972295 JENJRIOQFBBDKV-CQSZACIVSA-N 269.373 3.731 30 20 CHED C=C(C)CCNCc1ccccc1N1CCCCC1 824743509 FDMZXFCXRJOIGK-UHFFFAOYSA-N 258.409 3.733 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C\c2cncn2C)cc1 901542457 DYNJKXCRQDYFDV-XPSMFNQNSA-N 268.360 3.830 30 20 CHED Cc1cc(Cl)nc(C(=O)O[C@H](C#N)C2CCCCC2)c1 909690208 AEGSMAFOSOCXFK-CYBMUJFWSA-N 292.766 3.673 30 20 CHED C[C@@H]1CCN(c2ccc(Cl)cc2C#N)CC1(F)F 491571363 CMMMJOMXFBDPKT-SECBINFHSA-N 270.710 3.693 30 20 CHED Cc1cc(NN=C2CCC[C@@H]2Cc2ccccc2)nc(C)n1 735613266 XOQKCGQRKQSGLA-MRXNPFEDSA-N 294.402 3.904 30 20 CHED CN(CC(C)(C)C#N)C(=O)CCCCCc1cccs1 497411258 YGSQBMRQQILTAW-UHFFFAOYSA-N 292.448 3.859 30 20 CHED COc1ccc(C(=O)/C=C\c2cncn2C(C)C)c(C)c1 901520895 ZOVASRSEDVNQDT-YVMONPNESA-N 284.359 3.677 30 20 CHED C#Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1 900338264 TVYMJYKJDLQGLU-CYBMUJFWSA-N 279.339 3.627 30 20 CHED C#CCOc1ccc(C(C)=NNc2ncccc2Cl)cc1 733203686 WAHZRIGYKPHTBB-UHFFFAOYSA-N 299.761 3.583 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)COc2c(F)cccc21 730729659 LNPHNGUQAACSNF-YFHOEESVSA-N 290.240 3.763 30 20 CHED C#CCC1(C(=O)Nc2ccc(F)c(F)c2O)CCCCC1 837265663 JMLWFTTUHPPHDB-UHFFFAOYSA-N 293.313 3.583 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(C3CC3)c2)nn1C 901555180 PCYHMXQYMFXPEC-RMKNXTFCSA-N 266.344 3.502 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(C#N)c2)ccc1C 588598583 QQIUXIJFEDDHJL-HJWRWDBZSA-N 277.323 3.771 30 20 CHED C=CC[C@H]1N(C(=O)C(F)(F)CC)CCCC1(C)C 834548085 MZLZJGKCGUMEMX-LLVKDONJSA-N 259.340 3.625 30 20 CHED C=COc1ccc(NC(=O)C[C@@H](OCC)C(=C)C)cc1 837762703 GCROSDZTBJVECY-OAHLLOKOSA-N 275.348 3.519 30 20 CHED COc1cc(/C=C\C(=O)c2sccc2OC)ccc1C 588598819 GNKZUNYWOGTOCV-SREVYHEPSA-N 288.368 3.970 30 20 CHED C#CCC1(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)CCCCC1 836887213 ZLPVHRFVZRZHBA-IRXDYDNUSA-N 285.431 3.607 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2cc3ccccc3o2)C1 839046780 ASXHXCUSXMAKRY-GXTWGEPZSA-N 283.327 3.601 30 20 CHED C#CCN(C(=O)Nc1cc(F)cc(F)c1)C1CCCCC1 731899230 FJCBEURJYVMHGI-UHFFFAOYSA-N 292.329 3.765 30 20 CHED CC(C)OCc1ccc(NC(=O)C#CC(C)(C)C)cc1 837366630 ZMAIMAHFKVHPMZ-UHFFFAOYSA-N 273.376 3.600 30 20 CHED Cc1cccc(C(=O)N(O)Cc2ccc(F)cc2)c1Cl 901371906 KLSBRASPLQBQDE-UHFFFAOYSA-N 293.725 3.819 30 20 CHED C=CC[C@H](NC(=O)N[C@@H](C)CCCCC)c1ccncc1 734653081 YOPXZDDCLVTIBB-HOCLYGCPSA-N 289.423 3.967 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Oc1cc(C)ccc1C(C)C 835047137 YKKDULZJSXVRAE-CABCVRRESA-N 274.360 3.615 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2cn(C(C)C)nn2)cc1 901524731 MWRUETIRGFXPGX-YFHOEESVSA-N 299.374 3.542 30 20 CHED CC1(C)Cc2cccc(/C=C\C(=O)c3ccncc3)c2O1 588386397 NHZBKGAGKCIJRD-SREVYHEPSA-N 279.339 3.691 30 20 CHED Fc1cccc(NN=Cc2ccnc3ccccc23)c1 731313802 LZQZMQGSUPCJDC-UHFFFAOYSA-N 265.291 3.820 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(O)c(Cl)c2)s1 588480288 PRNUUNGXSKBZDH-XQRVVYSFSA-N 289.743 3.875 30 20 CHED CCN(C(=O)CCCCCC#N)c1ccc(F)cc1 588825676 DGZCZXQHLLUCFV-UHFFFAOYSA-N 262.328 3.653 30 20 CHED CCCCCCCCCNC(=O)N[C@H]1CC12CCOCC2 836610777 KBPFKHOLQRVSHD-HNNXBMFYSA-N 296.455 3.605 30 20 CHED C=CCC[C@H](C)OC(=O)[C@@H](CC)CC(F)(F)F 835269476 WLHNIRVVROUKRJ-UWVGGRQHSA-N 252.276 3.863 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ncc(F)cc1F 835022916 WJVUHOLXNUFFRY-MRVPVSSYSA-N 253.296 3.584 30 20 CHED CC(C)CN(C(=O)c1cc(O)cc(C#N)c1)c1ccccc1 588101196 KTBGDBYWGXBNQD-UHFFFAOYSA-N 294.354 3.567 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)c(CC)c1 672112073 QXAOLIBRHQHWOM-INIZCTEOSA-N 279.355 3.555 30 20 CHED CC(C)(C)c1nn(CC2(CC#N)CC2)cc1Br 596284524 BMVXOURSJJZDMG-UHFFFAOYSA-N 296.212 3.637 30 20 CHED C#CCN(CC)C(=O)Nc1ccccc1Oc1ccccc1 749226510 VLOWCFJXJYCFRD-UHFFFAOYSA-N 294.354 3.966 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 675933359 CIJFKPRDCZXKKU-ZIAGYGMSSA-N 289.423 3.785 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1cccc(O)c1 916316424 BEGIPBPKSPOZAM-UHFFFAOYSA-N 296.157 3.930 30 20 CHED CC(C)Nc1ccccc1NC(=O)CCCCCC#N 598235272 RVRCZKZGOVOWKO-UHFFFAOYSA-N 273.380 3.919 30 20 CHED Clc1ccc([C@@H]2CCCC2=NNc2cccnn2)cc1 741460829 QNKZZBBBERYSRI-ZDUSSCGKSA-N 286.766 3.866 30 20 CHED Cc1ccoc1C=NNC(=S)Nc1cccc(Cl)c1 743427113 PXCGFISORUYNHU-UHFFFAOYSA-N 293.779 3.562 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccc(C#N)s2)C1 598215777 LPXQUGADFZXKNM-UHFFFAOYSA-N 276.405 3.662 30 20 CHED CC[C@H](NC1(C2CCC2)CC1)c1ccc(C#N)cc1 593718404 HZABMOXDFHMJSG-INIZCTEOSA-N 254.377 3.932 30 20 CHED N#CCCCOc1cccc(CNCCCc2ccco2)c1 594998632 XVVUKTQYVDHFDO-UHFFFAOYSA-N 298.386 3.685 30 20 CHED C=CCN(CCC#N)C(=O)c1cc2ccc(F)cc2s1 590040581 FXTOHIFPJSVSEA-UHFFFAOYSA-N 288.347 3.582 30 20 CHED C[C@@H](CCC1CCCCC1)NC[C@H](O)CC(C)(C)C#N 598718435 FCGAWHOSEMSWMK-GOEBONIOSA-N 280.456 3.626 30 20 CHED C=C(C)CCN1CCC(CCNC(=O)OC(C)(C)C)CC1 844444241 XKZUCKRWHDFLGA-UHFFFAOYSA-N 296.455 3.579 30 20 CHED C#C[C@H](OC(=O)c1scnc1C(C)C)c1ccccc1 842364383 VTBREOIXCFBFCX-ZDUSSCGKSA-N 285.368 3.798 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1ccn(C)c1 747954146 HYPGIMLCOWECLR-UHFFFAOYSA-N 293.455 3.917 30 20 CHED CCCCC[C@H](C)CC(=O)N(CCC#N)C(C)C 742607608 XHLLMKPNYMRVBI-AWEZNQCLSA-N 252.402 3.744 30 20 CHED C#CCCCCCC(=O)O[C@@H]1C[C@H](C)C(=O)C(C)(C)C1 847937682 LZFNXKHDOJDDET-UONOGXRCSA-N 278.392 3.507 30 20 CHED CCC[C@@H](OC)c1noc([C@H](C)Cc2ccc(C#N)cc2)n1 594531221 PXFUFEKLSSPCCB-IUODEOHRSA-N 299.374 3.775 30 20 CHED COCCCON=C1CCCc2ccc(SC)cc21 842533122 LXYFCNWXPNWEIT-UHFFFAOYSA-N 279.405 3.502 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C/c1c(C)n[nH]c1C)CC2 843272688 MPBGTPTZYRZVPY-MDWZMJQESA-N 298.411 3.961 30 20 CHED CCCCCCCCNC(=N)NCc1ccc(F)c(F)c1 849062753 MCQKYHWFZCYGOI-UHFFFAOYSA-N 297.393 3.939 30 20 CHED Cc1ccc(C#N)cc1N=Cc1cc(Cl)ccc1O 746341002 ZAQDIJSHIWWZAG-UHFFFAOYSA-N 270.719 3.976 30 20 CHED C=CCN(C(=O)c1cc2cccc(F)c2o1)C(C)C 741898735 GZEVNFGNNMEXHM-UHFFFAOYSA-N 261.296 3.609 30 20 CHED C#CCCCNC(=S)Nc1ccc(CCCC)cc1 743010297 CUDKPSJACIICHM-UHFFFAOYSA-N 274.433 3.729 30 20 CHED Cc1ccccc1C=NOCc1cc(F)ccc1F 917394873 VBLYGSZKLOUXHS-UHFFFAOYSA-N 261.271 3.824 30 20 CHED C=CCCCC(=O)O[C@H](C)c1c(F)cccc1F 748235290 ZZQHZGVTPPTNRJ-SNVBAGLBSA-N 254.276 3.925 30 20 CHED CCCCOc1ccc(C=NOCc2cccnc2)cc1 746577808 VSELSXHPKVAORU-UHFFFAOYSA-N 284.359 3.811 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc3ccccc3n2)cc1 741451674 UEQUHCNQRPFHLZ-UHFFFAOYSA-N 292.298 3.589 30 20 CHED N#CC1(CCOC(=O)[C@@H]2CCCSC2)CCCCC1 840576229 SXYBNYKIXFKTDD-CYBMUJFWSA-N 281.421 3.537 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H]1CC[C@H](CN)C1 842010807 OHFSPJPFLNBSHA-HOTGVXAUSA-N 297.487 3.506 30 20 CHED COc1cccc2c1CN([C@@H](C)c1ccc(C#N)cc1)C2 599645607 QPMCPYJAPLDVBL-ZDUSSCGKSA-N 278.355 3.644 30 20 CHED CC[C@@H](C#N)C(=O)NCCCc1ccc(Cl)cc1Cl 593501441 ZSNVIHXEGNXHPA-JTQLQIEISA-N 299.201 3.592 30 20 CHED CCCC[C@H](CC)C(=O)OCC(=O)c1ccc(C#N)cc1 748258231 MYDBNODWVLFTHK-AWEZNQCLSA-N 287.359 3.501 30 20 CHED C[C@@H]1CC(=NNc2ccc(CC(=O)O)cc2)C[C@H](C)C1 848414937 GCPHBAIVODFEAH-TXEJJXNPSA-N 274.364 3.538 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cncc(F)c1 743445358 QYOQXZPHCFLTMR-UHFFFAOYSA-N 271.339 3.982 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)CCCc1ccc(F)cc1 847678286 DNYKZZACFJWMBO-AWEZNQCLSA-N 277.339 3.630 30 20 CHED C[C@H](CC(=O)N(CC#N)c1ccc(Cl)cc1)C1CC1 843611241 ZLJTXMLHZNHVAM-LLVKDONJSA-N 276.767 3.633 30 20 CHED C[C@@H](CCc1ccc(O)cc1)N[C@H](C)CC(C)(C)C#N 924946199 MCZKGKKGQZZJRU-UONOGXRCSA-N 274.408 3.631 30 20 CHED CCOc1ccccc1/C=C1\Cc2c(OC)cccc2C1=O 759652413 JFMILLLTHGMSGZ-SDNWHVSQSA-N 294.350 3.916 30 20 CHED CCC(CC)CC(=O)OCc1ccc(F)cc1C#N 759412510 QQLWJOQEQFSVDA-UHFFFAOYSA-N 263.312 3.567 30 20 CHED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1ccccc1O 757474094 IVELUGKCRBLPRV-SREVYHEPSA-N 298.729 3.589 30 20 CHED COc1ccc(NN=C2CCc3c(C)cccc32)cc1 750922711 RYJGYEYBDBTNAD-UHFFFAOYSA-N 266.344 3.766 30 20 CHED C=CCCONC(=O)c1cc(C2CC2)nc2ccc(C)cc12 856032810 RFGYOKDQLOSUFH-UHFFFAOYSA-N 296.370 3.658 30 20 CHED Cc1ccc([C@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N)o1 851210522 WCTGJBAKSVFUPH-RYUDHWBXSA-N 263.337 3.563 30 20 CHED C#CCCCCC(=O)NCc1cc2cc(C)ccc2o1 855768699 PMLNHYWOKFZFLM-UHFFFAOYSA-N 269.344 3.551 30 20 CHED C#CCCCC(=O)N1C[C@@H](CC)Oc2c(Cl)cccc21 759105234 NCKBBSJBPCGUAU-GFCCVEGCSA-N 291.778 3.648 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H](O)c1ccc2ccccc2c1 925012818 JDWYLWLIJGJNBR-KDOFPFPSSA-N 296.414 3.791 30 20 CHED C=CCC[C@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)O 756391757 ZYIBKCWUEUDPFN-INIZCTEOSA-N 299.370 3.764 30 20 CHED Oc1ccccc1/C=N/[C@@H]1C[C@@H]1c1cccc(F)c1 921260995 JXSLMVMWWWUARO-NUUDIBSWSA-N 255.292 3.506 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1cccc(O)c1 755077859 KRHOAPHPWNAKTF-UHFFFAOYSA-N 292.423 3.894 30 20 CHED CC(C)(C)CC=NNc1nc(-c2ccccc2)no1 755682521 GQILISMNKOJQRV-UHFFFAOYSA-N 258.325 3.571 30 20 CHED CCCC[C@@H]1CCCC1=NNc1ccc(C(=O)OC)cn1 758127000 MJOMNANJCZTVAR-GFCCVEGCSA-N 289.379 3.626 30 20 CHED CCCCCCCCCCNC(=O)N1CCC[C@@H](CO)C1 756098382 WWKWVCXKCCTQNE-MRXNPFEDSA-N 298.471 3.541 30 20 CHED CC1(C)CCC/C(=C/c2ccc3c(c2)CCO3)C1=O 757534555 MMTKXPCPDWUMBU-KAMYIIQDSA-N 256.345 3.784 30 20 CHED C=CCCC(CC)=NNc1nc2ccccc2c(=O)n1CC 750933532 IWFLEZLGAFATJF-UHFFFAOYSA-N 298.390 3.561 30 20 CHED C=CCC1(NC(=O)CCCCCCC(C)=O)CCCC1 855927808 ZXYPECHSDJHYIH-UHFFFAOYSA-N 279.424 3.921 30 20 CHED C=C(Cl)CSc1nc2ccccc2nc1C 934139969 HKPIWAWJGHIDIR-UHFFFAOYSA-N 250.754 3.783 30 20 CHED COc1ccc(NN=C(C)c2ccc(O)c(C)c2)cc1 750922509 QEICOOMJTBLFJH-UHFFFAOYSA-N 270.332 3.545 30 20 CHED C#CC[C@H](NCc1ccc2c(c1)COC2)c1ccccc1 756995910 MHKCEAOXIDJKBC-IBGZPJMESA-N 277.367 3.571 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(NC(C)=O)ccc1Cl 930464644 GKMUWWWBEQWTQS-NSHDSACASA-N 294.782 3.839 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc2sccc2c1 761133832 PZISVSKGTJDNFK-GFCCVEGCSA-N 259.330 3.606 30 20 CHED C=C1CCN(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 864253602 ZJXDVFNPVDJQQT-UHFFFAOYSA-N 286.375 3.584 30 20 CHED N#C[C@H](NC(=O)C(F)=C1CCCC1)c1ccc(Cl)cc1 763042713 MXLJPPQCBDESFU-ZDUSSCGKSA-N 292.741 3.818 30 20 CHED C=CCCC(=O)COC(=O)[C@H](C)Cc1cccc(Cl)c1 761430206 JGXWEDNLCVBNDH-GFCCVEGCSA-N 294.778 3.597 30 20 CHED CCOc1cccc(/C=C/C(=O)O[C@@H](C#N)C(C)(C)C)c1 860647370 XXJSEAODMXMIBK-FEAKQIBJSA-N 287.359 3.580 30 20 CHED C=CC[C@@H](N[C@H](C)c1cnc(C)s1)c1ccncc1 761450904 MESBUCHBHGQPIA-BXUZGUMPSA-N 273.405 3.815 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3ccc(Cl)cc32)C1 769846886 QUPOZLZEUSMEKY-WDBKCZKBSA-N 260.768 3.609 30 20 CHED C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1SCC#N 860028784 UYRWRISIKNDEFO-GXTWGEPZSA-N 288.416 3.611 30 20 CHED C#Cc1cccc(CN[C@H](c2ccccn2)C(C)C)c1 866369592 MSWYFOCCIXBTFT-SFHVURJKSA-N 264.372 3.550 30 20 CHED CCn1nc(/C=C\C(=O)c2ccc(O)cc2)c2ccccc21 769744092 UMZFCSRUAACPJP-QXMHVHEDSA-N 292.338 3.658 30 20 CHED CC(C)n1cc2c(n1)[C@@H](/N=C\c1ccccc1O)CCC2 764888665 SEEPOOAUSVQHIZ-PACYTGELSA-N 283.375 3.666 30 20 CHED C=CC[C@H](NC(=O)N[C@H](C)CCC1CC1)c1ccncc1 769510859 STISPZDOXZZFOQ-CJNGLKHVSA-N 287.407 3.577 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(C)nnc1C 767319782 KLPYVVBJKBQIDF-UHFFFAOYSA-N 291.439 3.916 30 20 CHED Cc1ccc(NN=C2CCS[C@H]2C)cc1Cl 1117739734 MJBULLNCSPPCCS-VIFPVBQESA-N 254.786 3.942 30 20 CHED Cn1cc(/C=C2/Cc3c(F)cccc3C2=O)c(C(C)(C)C)n1 769609601 JVDQSQMWRRUPLK-FLIBITNWSA-N 298.361 3.679 30 20 CHED CCc1ccc(C=NOCc2nc(C)sc2C)cc1 1116365526 NEGJLTFWNJHSFD-UHFFFAOYSA-N 274.389 3.873 30 20 CHED C#Cc1cccc(N(C)C(=O)c2c(F)ccc(C)c2F)c1 766412983 TZLWUVPOCPSABH-UHFFFAOYSA-N 285.293 3.531 30 20 CHED Cc1cc(N(C)C)cc(C)c1NC[C@@H](C)CCC#N 877350879 PJMZSTAXTWAKEP-LBPRGKRZSA-N 259.397 3.721 30 20 CHED COc1cc(Br)ccc1NC[C@@H](C)CCC#N 877700057 AUDARJRJACTQPB-JTQLQIEISA-N 297.196 3.809 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1ccnc(Cl)c1 779463233 ZRKASUILCQKVLJ-DUXPYHPUSA-N 279.673 3.909 30 20 CHED C=CCCCCCCNC(=O)C1(C(C)(F)F)CC1 1118764371 USRGKIKCYYVRNC-UHFFFAOYSA-N 259.340 3.675 30 20 CHED CCc1cccnc1C(C)=NNc1cc(F)c(F)c(F)c1 779774122 BDGOUGPEDGGGMN-UHFFFAOYSA-N 293.292 3.897 30 20 CHED COc1ccc(C#N)cc1NCc1cnc(Cl)c(C)c1 779591659 VQPUISSPOZCTLE-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C=CCN(C(=O)Nc1cccc2cc[nH]c12)C(C)C 776063088 FMSGFHUYNSCEOG-UHFFFAOYSA-N 257.337 3.596 30 20 CHED C=CCC[C@@H](C(=O)OCC(=O)C(C)C)c1ccccc1 778552854 RBPGOKJUXYSLHZ-OAHLLOKOSA-N 274.360 3.505 30 20 CHED COc1cccc(NN=Cc2cc(Cl)ccc2Cl)n1 779819990 ZTDOESNHVISSLY-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C#CCCCCCC(=O)NCc1ccc(OC(C)C)cc1 779828820 PEFVRUGLNRYRGC-UHFFFAOYSA-N 287.403 3.674 30 20 CHED Cc1ccoc1C=NN[C@@H](Cc1ccccc1)C(C)C 777449267 UWBLJPJQAAJIOZ-INIZCTEOSA-N 270.376 3.779 30 20 CHED C[C@@H](C#N)Oc1ccc(C=NN[C@@H]2CCCCC2(C)C)cc1 773124805 LJSSEWKTQACXQZ-WMLDXEAASA-N 299.418 3.870 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1ccc(C)s1 878385271 XOCDUNCFPYOTJX-NSHDSACASA-N 251.395 3.836 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(F)c(C#N)c1 776192842 UFXALHXOLYBGAP-GQCTYLIASA-N 280.302 3.551 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)Cc1ccccc1CC#N)C1CC1 776897437 SAKDLSSPEQVZOV-GJZGRUSLSA-N 298.430 3.721 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1ccccc1Cl 777464082 NSLZZAXPTCOWDK-FNORWQNLSA-N 261.683 3.770 30 20 CHED C=C(Cl)CN[C@H](C)c1cc(C)ccc1OC(F)F 772999108 ICHURXNLZDQYMZ-SNVBAGLBSA-N 275.726 4.000 30 20 CHED CCOC(=O)[C@H]1CCC(=NOC2CCCCC2)C[C@@H]1C 777458807 LWQUABWHECOXFI-WFASDCNBSA-N 281.396 3.691 30 20 CHED C#Cc1ccc(-c2nc(C(C)(C)C3=CCCCC3)no2)cn1 771723156 IGRCSZOMAYEYOY-UHFFFAOYSA-N 293.370 3.891 30 20 CHED Cc1cc(C)c([C@H](C)OC(=O)c2c[nH]c(C#N)c2)c(C)c1 779198684 MHYNDYMZRGFGAX-ZDUSSCGKSA-N 282.343 3.730 30 20 CHED Fc1cc(NN=Cc2cccc3nccn23)ccc1Cl 771101391 SMJZTVSUWZPLPF-UHFFFAOYSA-N 288.713 3.573 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NCc1ccc(C#N)cn1 783299898 GTGJPMDOETUXBZ-OAHLLOKOSA-N 293.414 3.799 30 20 CHED Cc1ccccc1[C@H](CO)N(C)CCCCC(C)(C)C#N 886438594 CQYYDRYIGSOZCA-KRWDZBQOSA-N 288.435 3.680 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@H](CF)C1 880232910 GSDRLISYNJFZAK-CQSZACIVSA-N 274.383 3.669 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(OC(C)(C)C)c1 888558267 UKDJIRXSEUGWSH-UHFFFAOYSA-N 298.342 3.889 30 20 CHED COc1cc(NN=Cc2nc(C)cs2)ccc1Cl 788472414 ULPWPIZUBXMKIW-UHFFFAOYSA-N 281.768 3.560 30 20 CHED C/C=C(\CC)C(=O)OCc1ccc(C#N)cc1OC(F)F 789225637 CVROOYGNXFKUKL-QDEBKDIKSA-N 295.285 3.559 30 20 CHED CCOc1ccc(C=NNc2ccc(Cl)nc2)cc1F 782238437 JALRVAKUEXJMNO-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C[C@@H](CC(=O)OCC1(C#N)CCC1)c1c[nH]c2ccccc12 786494147 QKIHTVRSKHCXRK-ZDUSSCGKSA-N 296.370 3.899 30 20 CHED C=C1CCC(C(=O)N2CCCO[C@H](c3ccccc3)C2)CC1 888825201 HDTPQMFAMZTKOQ-SFHVURJKSA-N 299.414 3.723 30 20 CHED CCC(=NNc1ccccc1C(F)(F)F)c1cn[nH]c1 788939164 JJKPZHIXTZCRPL-UHFFFAOYSA-N 282.269 3.655 30 20 CHED C=C1CCC(C(=O)N(Cc2ccoc2)C2CC2)CC1 889087389 JMVLMVOICLWTIR-UHFFFAOYSA-N 259.349 3.517 30 20 CHED CCOc1ccc(/C=N\Cc2cccc3cc[nH]c23)c(O)c1 786028784 ZKKHHBJWNXPMRZ-ODLFYWEKSA-N 294.354 3.891 30 20 CHED CC(C)[C@@H](F)C(=O)Nc1cc(C(C)(C)C)sc1C#N 784139103 WBIQYOOHELYPNT-GFCCVEGCSA-N 282.384 3.850 30 20 CHED CC(=O)c1ccc(C(=O)OCC(C)(C)CCC#N)cc1C 1122904558 KHTGTQPMOZZRJT-UHFFFAOYSA-N 287.359 3.684 30 20 CHED CCOc1ccc([C@@H](C)OC(=O)[C@@](C)(C#N)CC)cc1 1127812434 MPEVVDJLBKHQSX-MLGOLLRUSA-N 275.348 3.629 30 20 CHED CCC[C@@H](C)C(CC)=NN[C@H](CO)c1ccccc1 788459244 DCHJUKVZNNQCBJ-CZUORRHYSA-N 262.397 3.512 30 20 CHED CC(C)[C@@H](C)N(C(=O)c1ccc(C#N)n1C)c1ccccc1 894230527 QXYCYWBITDUPQL-CQSZACIVSA-N 295.386 3.588 30 20 CHED CCOc1ccc(C=NN[C@@H]2CCCC2(C)C)cc1OC 782285599 BPBPBAFPGYXJRK-MRXNPFEDSA-N 290.407 3.596 30 20 CHED CC[C@H]1CCC[C@H](C=NNC(=S)Nc2cccnc2)C1 783799531 PELMMHMRGSZMIC-STQMWFEESA-N 290.436 3.570 30 20 CHED C=C1CCC(C(=O)N(CCC#N)CCC(C)C)CC1 896891435 CEZPEOVESZXZLM-UHFFFAOYSA-N 262.397 3.521 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 409579459 FUMGURSVKGWXRB-OCCSQVGLSA-N 271.364 3.506 30 20 CHED C[C@@H](CC#N)N(C)CC1CCC(C(F)(F)F)CC1 185509641 GZHZZTWNCZNIEQ-UNXYVOJBSA-N 262.319 3.589 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc(C2CC2)nc2ccccc12 791213539 OHKKZOGKUIPKFT-AWEZNQCLSA-N 292.382 3.644 30 20 CHED CC1CC(C#N)(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 546617152 WIUPCRPSOQUOGE-UHFFFAOYSA-N 299.157 3.577 30 20 CHED CCCCCCCCCN[C@H](C)c1nnc(C)o1 792288838 NMABBKNRBDDKPU-GFCCVEGCSA-N 253.390 3.779 30 20 CHED C#C[C@H](N[C@H](C)[C@H](C)c1ccc(Cl)cc1)[C@H]1CCCO1 793086287 UUSWRFZBAJKNDF-UWWPHRKUSA-N 291.822 3.602 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1ccccc1CC#N 1136165232 SFXHXIRKQNPCCH-CQSZACIVSA-N 272.392 3.699 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C[C@H]1C[C@@H]1c1ccccc1 790310679 KRKRYWBZXNDJSF-CHWSQXEVSA-N 299.305 3.935 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCc2cc(Cl)ccc21 1134823100 LQHRICZXRLZUIF-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CCOc1ccc(/C=N\C[C@@H]2CCC(F)(F)C2)c(O)c1 797398751 QNLQOJSYPDAVLJ-IPHDDYSGSA-N 283.318 3.645 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1ccc3c(c1)CCCC3)C2=O 792905280 KUWUQYPMUGWNMP-LFIBNONCSA-N 292.382 3.511 30 20 CHED CC[C@H](C#N)N(CC)C(=O)Cc1ccc(Cl)cc1Cl 1134208729 MLISFTPSZATGHX-GFCCVEGCSA-N 299.201 3.687 30 20 CHED Cc1nc(C(C)C)oc1C(=O)OCC1(C#N)CCCCC1 797049313 NZTQBLYTWDFWDD-UHFFFAOYSA-N 290.363 3.737 30 20 CHED CC[C@@H](NC(=O)Nc1ccnc(C#N)c1)c1ccc(C)cc1 1208085332 HPDKVSXESBQZGK-MRXNPFEDSA-N 294.358 3.535 30 20 CHED CCC(=NNc1ncccc1F)c1ccc2c(c1)CCCO2 794984197 JGWSDRJLGZRIFX-UHFFFAOYSA-N 299.349 3.772 30 20 CHED C#CCN(C(=O)c1cc[nH]c1C(C)C)C1CCCCC1 795784589 QUUIXBRAKUFOFD-UHFFFAOYSA-N 272.392 3.546 30 20 CHED CC1(C)CCC[C@H]1OC(=O)/C=C/c1ccccc1C#N 799464449 ZKHBAIIZODQLQQ-BOLDSZDNSA-N 269.344 3.693 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C1(C(F)(F)F)CCCCC1 596826315 MQKNKZOHQWPUPG-NSHDSACASA-N 290.329 3.507 30 20 CHED CC[C@H](C#N)C(=O)NCc1ccc(Oc2ccccc2)cc1 1143140794 VPPQQZFRKJBKFU-OAHLLOKOSA-N 294.354 3.645 30 20 CHED C[C@H](NCC(C1CC1)C1CC1)c1ccc(C#N)cc1 88455373 VXZZIZHLCLTXIR-LBPRGKRZSA-N 254.377 3.645 30 20 CHED CCC(CC)Nc1ccc(Br)cc1C#N 96731029 ZUKRHBZUHZZIFH-UHFFFAOYSA-N 267.170 3.921 30 20 CHED C=CCCCCCCNC(=O)C1(c2cccc(C#N)c2)CC1 1323280234 QPXINJUZYDIAAN-UHFFFAOYSA-N 296.414 3.843 30 20 CHED N#CCc1ccc(NCc2cc(O)cc(Cl)c2)cc1 1177382518 UBRLPHYBSQANSP-UHFFFAOYSA-N 272.735 3.724 30 20 CHED C#CCCOC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1321738661 CGUFDLXXCICKAD-PLNGDYQASA-N 269.127 3.573 30 20 CHED CCCCCCCCNC(=O)c1ncoc1[C@H]1CCCO1 1324430641 CUXCBYACLSWVFJ-CYBMUJFWSA-N 294.395 3.616 30 20 CHED C=CCC[C@@H](C(=O)NCCC(F)F)c1ccccc1 1338464627 SMUUAHBGJBNINW-CYBMUJFWSA-N 267.319 3.508 30 20 CHED CCCc1ccc(C[S@](=O)Cc2ccc(C#N)cc2)cc1 1330774709 RBIMJWGBJGPGER-NRFANRHFSA-N 297.423 3.960 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(C#N)o1 1264852398 WYDVUXQTBMZPTK-IPYPFGDCSA-N 288.391 3.589 30 20 CHED N#CC[C@H]1CCCN(c2c(F)cccc2C(F)(F)F)C1 1262371701 UITFRYYWWHQKKU-SNVBAGLBSA-N 286.272 3.975 30 20 CHED Cc1ccc2oc(C(=O)O[C@H]3CC[C@@H](C#N)C3)cc2c1 1263379870 YQKIHAWZFSZMOR-YPMHNXCESA-N 269.300 3.590 30 20 CHED CCN(Cc1c(C#N)c(C)nn1-c1ccccc1)C(C)(C)C 1347850031 GCVBGKULTCCCOF-UHFFFAOYSA-N 296.418 3.673 30 20 CHED N#Cc1cccc(CSCc2ccc(F)cn2)c1 1344048000 IAQWGCPHVWIFDA-UHFFFAOYSA-N 258.321 3.526 30 20 CHED C=C(C)CCC(=O)Oc1c(F)c(F)cc(F)c1F 1341916603 BXLHQEIEZIISNZ-UHFFFAOYSA-N 262.202 3.505 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)[C@H](C#N)c1cccc(F)n1 1516767635 OEUNFQYDVGRAIE-NWDGAFQWSA-N 276.355 3.859 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1cccc(C#N)c1F 223517772 GCQNXSSJXXUMMU-NSHDSACASA-N 286.375 3.878 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1534068181 YFGGAOUUYCNJJF-INIZCTEOSA-N 284.363 3.589 30 20 CHED N#CCCCSc1cc2ccccc2cc1C(=O)O 1608182533 DCBVSIMKSSLCFN-UHFFFAOYSA-N 271.341 3.934 30 20 CHED N#Cc1ccc(COc2ccc3cc(C(=O)O)oc3c2)s1 1608205324 AKLWQVWDCCCCGZ-UHFFFAOYSA-N 299.307 3.643 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(C(=O)O)co2)c(C)s1 1600075545 DWVXPXQDFPSSDZ-ARJAWSKDSA-N 276.313 3.552 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(F)cc1C#N 1465800874 XIEMISYFOXRURF-SNVBAGLBSA-N 277.343 3.644 30 20 CHED CN(CCc1ccccc1F)[C@@H](C#N)c1ccccc1 1473151540 NZWCABFPMJTVMS-KRWDZBQOSA-N 268.335 3.565 30 20 CHED CC(C)CN(CCc1ccccc1)Cc1cc(C#N)ccn1 1615280534 UKULTGLNALGCEX-UHFFFAOYSA-N 293.414 3.654 30 20 CHED C=C(CC)C(=O)N1C[C@H]2CC[C@@H](C2)[C@H]1c1ccccc1 1548702671 YIUIAZBHUGEHEB-BHYGNILZSA-N 269.388 3.952 30 20 CHED CC(C)[C@@H](CNc1cccc(C#N)n1)Cc1ccccc1 1472761487 BOHVCFHNSFSWKO-MRXNPFEDSA-N 279.387 3.880 30 20 CHED C[C@H]1C[C@H](C)CN(CCSc2ccc(C#N)cc2)C1 1559362209 WPYRIEAIEFBFBT-KBPBESRZSA-N 274.433 3.628 30 20 CHED N#Cc1cccc(CN2CCCc3ccccc3CC2)c1F 1559841579 OCRUZPDVEUEODW-UHFFFAOYSA-N 294.373 3.688 30 20 CHED CC(C)(C)c1nsc(Sc2cccc(F)c2C#N)n1 1559222933 QZPPWFPADGSHOG-UHFFFAOYSA-N 293.392 3.998 30 20 CHED CCOC(=O)C(C)(C)CSc1ccc(Cl)cc1C#N 1643746139 ACYBAXDVBRSUQZ-UHFFFAOYSA-N 297.807 3.893 30 20 CHED CN(Cc1cc2ccccc2[nH]1)[C@@H](C#N)c1ccccc1 1641952689 XCHVPVZOYPUTAK-SFHVURJKSA-N 275.355 3.865 30 20 CHED N#Cc1cnc(SC2CCCC2)c(Br)c1 1641979504 XPNMNQDWOIGXGM-UHFFFAOYSA-N 283.194 3.750 30 20 CHED Cc1cc(N(C)[C@H](C)CSc2ccccc2)ncc1C#N 1655644553 XAXHCZSSYQQYRQ-CQSZACIVSA-N 297.427 3.879 30 20 CHED C=CCCC[C@@H](NCC1(C(=O)O)CC1)c1ccccc1 1588798193 XARQOWVTDDESCW-OAHLLOKOSA-N 273.376 3.538 30 20 CHED CC(C)CC1(C)CCN(Cc2cccc(C#N)n2)CC1 1659380983 JSMJJXQTRAYCKJ-UHFFFAOYSA-N 271.408 3.601 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC2CC(C(C)(C)C)C2)C1 1776153942 XSTMPEABYJQQBT-JTTJXQCZSA-N 293.451 3.802 30 20 CHED CC1(C)CCC/C(=C/c2cccc(C(=O)O)c2F)C1=O 1776548646 VAZLMTRZZIIMSB-LUAWRHEFSA-N 276.307 3.687 30 20 CHED C=CCCC[C@@H](NCc1ccc2sccc2c1)C(=O)O 1776172439 ZEEIQMYTMDAMRS-CQSZACIVSA-N 289.400 3.800 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)[C@@H]1CCCC[C@H]1C 1776037165 DMVXTOLMTCDFJG-IAQYHMDHSA-N 274.364 3.999 30 20 CHED Cc1cc(C)c(O)c(CN(C)Cc2ccc(C#N)cc2)c1 163969359 VMURXRUJXBFHIE-UHFFFAOYSA-N 280.371 3.513 30 20 CHED Cc1cccc(C)c1C(=O)N[C@H](C)c1ccc(C#N)cc1 151656987 UWCDQHHOJWHPHN-CQSZACIVSA-N 278.355 3.666 30 20 CHED CC(C)=CCC[C@H](C)NCc1ccc(C#N)cc1F 151142702 XDCZHQWQKFASLL-ZDUSSCGKSA-N 260.356 3.922 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccc(C)c(F)c1 151973731 JGSWFVJPFBODKB-LLVKDONJSA-N 267.369 3.770 30 20 CHED CC(C)(C)SCCCC(=O)Nc1cc(C#N)ccc1O 152083978 HFESHXGEFUMGHT-UHFFFAOYSA-N 292.404 3.514 30 20 CHED C=CCNc1ccc(C(=O)Nc2ccccc2OC)cc1 153217739 UCUARYDLQKUMNV-UHFFFAOYSA-N 282.343 3.545 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccccc1Cl 155131296 MCHGBJWEZLTCAN-GFCCVEGCSA-N 280.799 3.565 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1ncc(-c2ccccc2)o1 155214996 QVTOUEXNRADEOH-KGLIPLIRSA-N 283.375 3.884 30 20 CHED C=CCN(C)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 155430788 GCUQNNPCMZBBAE-UHFFFAOYSA-N 294.826 3.736 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(CCC#N)Cc2ccco2)o1 159593224 WGLZKORJDDAIDD-CJNGLKHVSA-N 284.359 3.912 30 20 CHED CC(C)Oc1ccccc1/C=C1/Oc2cc(O)ccc2C1=O 208641677 FFNVXLIJNOGENT-RQZCQDPDSA-N 296.322 3.796 30 20 CHED C#Cc1cccc(N(C)C[C@H]2CCC3(CCCC3)O2)c1 801514942 PPGZNMPCWFRFHI-QGZVFWFLSA-N 269.388 3.596 30 20 CHED C[C@H]1SCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 235611322 PLGPOGAIQLUACM-KCJUWKMLSA-N 286.322 3.883 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(C#N)cc2)C1 31726163 ADQPGFRFXXZVJZ-IUODEOHRSA-N 271.364 3.601 30 20 CHED N#Cc1sc(NC[C@H]2CCC(F)(F)C2)nc1Cl 287575063 DHXZHIQTGLHZPR-LURJTMIESA-N 277.727 3.515 30 20 CHED C=C(Br)CN[C@H](Cc1ccccc1)C(C)C 309349092 MKJSBZYCUWEVEU-CQSZACIVSA-N 282.225 3.752 30 20 CHED N#Cc1cc(F)cc(NCc2cccc3cc[nH]c23)c1 600859517 BCAGTQWRSYOPNS-UHFFFAOYSA-N 265.291 3.791 30 20 CHED CCC[C@@H](C#N)NC(=O)CCSc1ccccc1Cl 608815204 KMWGLPVLYCMJNF-NSHDSACASA-N 296.823 3.631 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 608816108 SQRXZAVVVRNAER-PWSUYJOCSA-N 296.823 3.629 30 20 CHED COc1ccc(CNc2cccc(CC#N)c2)cc1C 313427043 MDUCLUGRXSKGIV-UHFFFAOYSA-N 266.344 3.682 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCCc2cccc(C#N)c2)C1 466421075 JFKPHRUDCZPHEU-MSOLQXFVSA-N 270.420 3.905 30 20 CHED CC(C)[C@@H]1CCCN(c2ncc(C#N)cc2Cl)CC1 522285147 YRJIRAMGXFBNPY-CYBMUJFWSA-N 277.799 3.869 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3sc(Cl)cc32)cn1 357610738 YDYDMMNUDHOJRY-LLVKDONJSA-N 275.764 3.768 30 20 CHED C=CCCS(=O)(=O)Nc1ccccc1-c1cccs1 472790141 QGVYYXJRRNBVFL-UHFFFAOYSA-N 293.413 3.733 30 20 CHED C=CCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 1595287 YSDLKZLLQIOXFT-SFHVURJKSA-N 267.372 3.755 30 20 CHED CSc1ccccc1C(=O)OCc1ccccc1C#N 3530395 NJEIZDHUISRTBQ-UHFFFAOYSA-N 283.352 3.637 30 20 CHED N#Cc1ccc(COC(=O)/C=C/Sc2ccccc2)cc1 7529034 SULXOGQRTUBRQL-ZHACJKMWSA-N 295.363 3.907 30 20 CHED CCCCCCCCC(=O)N1CCC(n2ccnc2)CC1 101863269 WTCRYQKESIMTJS-UHFFFAOYSA-N 291.439 3.797 30 20 CHED CCC[C@@H](C)CC(=O)N(CCC#N)CC(C)(C)C 104627911 WLEJFCKTXNSQLU-CYBMUJFWSA-N 252.402 3.601 30 20 CHED CCCN(CC#N)Cc1c(Cl)ccc2cccnc12 58921134 QWKCQNORNIIQMU-UHFFFAOYSA-N 273.767 3.624 30 20 CHED COc1ccc(NC(=O)c2sccc2C#N)cc1Cl 52028055 YPLMALLRFGCSST-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C=CCOc1cccc(NC(=O)c2ccccc2COC)c1 55724943 YEFDYKSQHAPWHN-UHFFFAOYSA-N 297.354 3.650 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(SC)o2)c1 112239428 HZUSLQRGLUQUNB-UHFFFAOYSA-N 289.356 3.819 30 20 CHED C=CCCC(=O)Nc1ccc(F)cc1C(F)(F)F 102737779 JLSWLBFNNVMELC-UHFFFAOYSA-N 261.218 3.749 30 20 CHED N#Cc1ccc(NC(=O)Nc2ccc3scnc3c2)cc1 171168738 RNYWCOPBFTWHLB-UHFFFAOYSA-N 294.339 3.812 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccnc2ccccc12 61948187 NUDSTQRATKXOBQ-UHFFFAOYSA-N 273.339 3.743 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)s2)cc1OC 176400483 SOKPUIMCHDELFS-VOTSOKGWSA-N 299.351 3.533 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1c1ccc(C)s1 114671173 MZGGLVOKZDCVGB-ZIAGYGMSSA-N 293.432 3.701 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 113339191 DZUXENDBHXHXKL-LJQANCHMSA-N 295.357 3.615 30 20 CHED CCCCCC[C@@H](C)C(=O)NCc1cccc(C#N)c1 172751077 PDCPYHISNJDABH-CQSZACIVSA-N 272.392 3.781 30 20 CHED N#CCC1(COC(=O)C2(c3cccc(Cl)c3)CC2)CC1 174739217 DXKUJOIOIMGIMS-UHFFFAOYSA-N 289.762 3.609 30 20 CHED C=CCN1CCC(N[C@H](CCC)c2ccccc2)CC1 177904348 CLQXUFQBJVCSTO-GOSISDBHSA-N 272.436 3.768 30 20 CHED C=C[C@@H](CC(=O)NOCc1ccccc1)c1ccccc1 179356709 CKELZKNQAMCMHR-INIZCTEOSA-N 281.355 3.594 30 20 CHED N#Cc1ccc(-c2csc(Nc3ccccn3)n2)cc1 22421003 BBNHSCBWYLWJKS-UHFFFAOYSA-N 278.340 3.820 30 20 CHED C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(C#N)cc1 26119559 RRLZCCJWJNRXKD-LBPRGKRZSA-N 289.338 3.531 30 20 CHED CCCCN(C(=O)c1ccc(C#N)o1)C1CCCCC1 814659061 JKSYXAIDFBYBHZ-UHFFFAOYSA-N 274.364 3.726 30 20 CHED C=CCCCC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 179230320 AKARZJPTTIYDSD-CYBMUJFWSA-N 293.794 3.676 30 20 CHED CCO[C@H]1C[C@H](N(C)CCCCC#N)C1(CC)CC 177404766 PIVGGGXDDPOBTM-GJZGRUSLSA-N 266.429 3.596 30 20 CHED CCOc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1F 301544324 SVRNYSNMAQQQHM-UHFFFAOYSA-N 291.713 3.888 30 20 CHED CN(Cc1ccc(C#N)cc1)c1c(C#N)cnc2ccccc12 301327216 BODAFDJSKJYENR-UHFFFAOYSA-N 298.349 3.615 30 20 CHED C[C@H](N[C@@H](CCCO)c1ccccc1)c1cccc(C#N)c1 305756609 ALWDMRNGPUASCT-KXBFYZLASA-N 294.398 3.723 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)/C=C/c2ccco2)n1 177742247 HOIZJSZGSYHWQA-BTDICHCPSA-N 286.356 3.749 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(N2CCCC2)c(F)c1 410131171 PTUPFXULOPYDHL-CQSZACIVSA-N 290.382 3.510 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccsc1 116974394 XPFKPZKWKUIBOK-AAEUAGOBSA-N 264.394 3.559 30 20 CHED CCc1ccc([C@H]2CCN([C@H](C)CCC#N)C2)cc1 411760896 TUOJGYCPGLLORM-PBHICJAKSA-N 256.393 3.731 30 20 CHED CCc1noc(CC)c1CNc1c(Cl)cccc1C#N 301574294 PSSZMPNUVREAQJ-UHFFFAOYSA-N 289.766 3.937 30 20 CHED CCc1ccc(C/N=C(/N)Nc2ccc3c(c2)CCC3)s1 303908925 XYKWUBJSRGXCNE-UHFFFAOYSA-N 299.443 3.726 30 20 CHED N#Cc1cccc(CNCc2cccc(-c3cccnc3)c2)c1 130587316 NHRXYRMEOLUOJM-UHFFFAOYSA-N 299.377 3.910 30 20 CHED C=CCN(C)[C@H](C)c1nc2ccccc2n1C(F)F 121209750 YQFXYHCUIXLLLF-SNVBAGLBSA-N 265.307 3.610 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(OCC)c(OCC)c1 181305023 OZESPFDIOYFWMH-HNNXBMFYSA-N 289.419 3.938 30 20 CHED C[C@@]1(c2ccccc2)CC[C@H](NCCCCC#N)C1 187950576 SJFHXVKSOQRLPC-DLBZAZTESA-N 256.393 3.780 30 20 CHED N#Cc1cccc(NC[C@H](c2ccccc2)C(F)(F)F)n1 186486500 RZTMQNKFCQMVEF-CYBMUJFWSA-N 291.276 3.711 30 20 CHED CC#CCNC(=O)c1cc(C)ccc1SC1CCCC1 182079544 ABVYOSJJCFIOTL-UHFFFAOYSA-N 287.428 3.783 30 20 CHED C#CCCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 231650848 RNKKRYWVDKPFNY-UHFFFAOYSA-N 274.103 3.694 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 180163849 YXRSXYWOQGXXOD-SFHVURJKSA-N 283.415 3.722 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1cccc(C#N)c1 37228586 BFCMKKDUCIJAAD-CYBMUJFWSA-N 277.327 3.634 30 20 CHED N#CCCN(Cc1cccnc1)C(=O)CCCC1CCCC1 79793746 NMFKDSURLMEIKJ-UHFFFAOYSA-N 299.418 3.684 30 20 CHED COc1ccc(N(C)CC(C)(C)CCC#N)cc1F 180772412 WASYMUAYEOFCRO-UHFFFAOYSA-N 264.344 3.600 30 20 CHED C=C(C)CCc1noc(-c2cc(O)nc(CC(C)C)c2)n1 508681925 UXQDDRLOVPEFPL-UHFFFAOYSA-N 287.363 3.544 30 20 CHED CC#CCCCC(=O)N1CCCCc2ccccc21 185322106 NEOQZRJKYGNITE-UHFFFAOYSA-N 255.361 3.550 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(OCc2nccn2C)cc1 180952253 NYLLPHHXUBJTCI-LSDHHAIUSA-N 299.418 3.614 30 20 CHED CC(C)(C(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 127933040 CXEDTTNYMUSSKT-UHFFFAOYSA-N 282.318 3.614 30 20 CHED CCCN(Cc1ccccc1)Cc1ccc(C#N)cc1OC 501272369 STYUFQGNWWBLQU-UHFFFAOYSA-N 294.398 3.979 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2nccs2)cc1 184995863 HWBMQTKOKLXIPS-UHFFFAOYSA-N 284.384 3.942 30 20 CHED C=CC1CCN(C(=O)C(C)(C)c2cccc(F)c2)CC1 120808933 LDOWBMGTLGDEQX-UHFFFAOYSA-N 275.367 3.528 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)NCc1cccc(C#N)c1 77347674 AQWDOANTUJUVFM-ZDUSSCGKSA-N 287.407 3.572 30 20 CHED C=CCCOC(=O)c1nc(-c2ccccc2F)oc1C 121931696 PWPXWEZWJNCEGR-UHFFFAOYSA-N 275.279 3.522 30 20 CHED C=CCCCCCN(C)[C@@H](C(=O)OC)c1ccsc1 410377429 BGFUGOATCZKHDZ-CQSZACIVSA-N 281.421 3.640 30 20 CHED OCCCCCC/N=C/c1c(O)ccc2ccccc12 183385109 CZAOZVDBCNKBQM-QGOAFFKASA-N 271.360 3.517 30 20 CHED Cc1cc(CNCC2(C#N)CCC2)c(OC(F)F)cc1C 418143744 QUMFRCFOFCMYFS-UHFFFAOYSA-N 294.345 3.688 30 20 CHED COc1cc(C(=O)/C=C/c2cc(F)ccc2F)ccc1O 44025281 IVFSKACRJMMTRC-QHHAFSJGSA-N 290.265 3.575 30 20 CHED C=CCN(CC=C)Cc1ncc(-c2ccc(C)cc2)o1 75625424 UCRPHDHDCFHDKB-UHFFFAOYSA-N 268.360 3.824 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1cccc(C)c1 182615789 RWNJSCFGUCGROB-HNNXBMFYSA-N 259.393 3.789 30 20 CHED N#CCC[C@@H](NCc1cc(C#N)cs1)c1ccccc1 130508680 HQVMLJKJQZWQGR-MRXNPFEDSA-N 281.384 3.754 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)C 45905738 XNVFYVSWIKUSRE-UHFFFAOYSA-N 257.786 3.572 30 20 CHED C[C@@H](NC(=O)NC1CCCCCC1)c1ccc(C#N)cc1 47641145 MSCIBKADXOJGSR-CYBMUJFWSA-N 285.391 3.641 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)C1 413388125 PSSAQUKIEANXNL-BETUJISGSA-N 264.756 3.580 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2ccc(C#N)cc2)cc1 47333847 WWJSXYKEEOSKML-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED COCCC1(C/N=C(/O)[C@@H]2CCC(=O)[C@@H](C)C2)CCCC1 328940405 KSUKZOMOABBODN-UONOGXRCSA-N 295.423 3.545 30 20 CHED CC[C@H]1C[C@H](C(O)=Nc2cccc3ccn(C)c23)CC(O)=N1 329958109 QLOIAPBZKBZUPJ-STQMWFEESA-N 299.374 3.911 30 20 CHED CC[C@@H](C#N)NC(=O)c1cc2c(s1)-c1ccccc1CC2 195525865 SPYMHNGCVCSKKV-ZDUSSCGKSA-N 296.395 3.546 30 20 CHED CC[C@H](C#N)OC(=O)/C=C/c1cccc(OC2CCCC2)c1 84713399 KOZWPTHHHNSCBX-AUECHBEKSA-N 299.370 3.867 30 20 CHED C#CCCCC(=O)Nc1ccc2ccn(CCC)c2c1 192363693 IFJMAVRMHFRVQL-UHFFFAOYSA-N 268.360 3.793 30 20 CHED Cc1c(NC(=O)[C@@H]2CCCCC2(C)C)ccc(C#N)c1C#N 421555747 IODUMAIGZSCRLP-HNNXBMFYSA-N 295.386 3.893 30 20 CHED Cc1cc([C@@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])c(C)o1 44730843 NWSYZWPOPSCDSA-SNVBAGLBSA-N 285.303 3.849 30 20 CHED CSc1ccc(C(=O)/C=C/c2c(C)noc2C)cc1 192760016 IBMAESCGZXCUBF-CMDGGOBGSA-N 273.357 3.909 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2occc2C(C)C)no1 426234833 AOVKMFGZYKQHDJ-INIZCTEOSA-N 290.363 3.933 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1cncc(C#N)n1 420581972 HXNZIRMYEDLBGO-IRXDYDNUSA-N 292.386 3.511 30 20 CHED C[C@@H]1SCCN(c2nc(C(C)(C)C)ccc2C#N)[C@H]1C 613426448 HLUBOMYRHMVBCD-RYUDHWBXSA-N 289.448 3.581 30 20 CHED Cc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C2CCC2)o1 424330846 RHJVOQKBZATRHE-BJJXKVORSA-N 258.365 3.711 30 20 CHED CCOc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1Cl 86283216 PEBZQHFNXRWRCM-SNVBAGLBSA-N 295.770 3.505 30 20 CHED C#CCCCC(=O)NC1(c2ccc(F)cc2F)CCCC1 190523316 QSLMHMOZFCOHRF-UHFFFAOYSA-N 291.341 3.654 30 20 CHED CCC[C@H](CC)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425434649 QKXWVZXDWMVHIA-CJNGLKHVSA-N 287.407 3.839 30 20 CHED Cc1cc(Nc2ccc(C(C)(C)C#N)cc2)nc(C)n1 192774706 IHHOXNOFVKUDMP-UHFFFAOYSA-N 266.348 3.638 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(O)cc1SC 191203033 DRZHZLQRUYFKMV-UHFFFAOYSA-N 277.389 3.821 30 20 CHED N#Cc1ccc(C(=O)N2CCCC3(CCCCCC3)C2)nc1 81304826 SBKNAIGNMSTOCQ-UHFFFAOYSA-N 297.402 3.530 30 20 CHED Cc1ccc(-c2ccsc2C(=O)N(C)[C@H](C)C#N)cc1 334971872 ADFJIWDSMBPGGB-GFCCVEGCSA-N 284.384 3.708 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCC[C@@H]1CC(C)C 510206772 FIYLLEUMJFVDMF-MRXNPFEDSA-N 284.403 3.908 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1c(F)cccc1Cl 424571774 NSZMYRGKFPHCIB-UHFFFAOYSA-N 269.747 3.698 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 510593727 ASDQNOONXJDLAW-HUUCEWRRSA-N 264.413 3.585 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCC(C)=C(C)C1 516067570 BXQMCTUOCFCTAM-MRXNPFEDSA-N 287.403 3.973 30 20 CHED CC[C@@H](C)CNC(=O)c1sc2ccc(C#N)cc2c1C 421596712 RALMJJUDSGARMQ-SNVBAGLBSA-N 286.400 3.857 30 20 CHED Cc1ccc2c(c1)CN(C(=O)Nc1ccc(CC#N)cc1)C2 336350670 AXRNTTYSVJGDQX-UHFFFAOYSA-N 291.354 3.609 30 20 CHED CCC[C@@H](Cc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 424318640 DCXJDYKSLHHGRR-YESZJQIVSA-N 256.393 3.680 30 20 CHED C=CC[C@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)O 426830998 ATAWYNCGDBIIRT-KRWDZBQOSA-N 299.345 3.612 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)c(Cl)c1 335890426 KPESLMIMNVEOAD-FZMZJTMJSA-N 289.766 3.618 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1 96766313 IFUBKQIEBMBHHV-HJWRWDBZSA-N 269.250 3.733 30 20 CHED C=C1CCN(Cc2cc(Cl)c(OCC)c(OC)c2)CC1 513472785 MAXZXMQDEMUEOO-UHFFFAOYSA-N 295.810 3.899 30 20 CHED C=CCCOCC(=O)N[C@H](CC)c1ccc(Cl)cc1 144461308 ZDNRTNMVPZAINP-CQSZACIVSA-N 281.783 3.500 30 20 CHED C=CCC[C@@H](CCC)N[C@H](CO)CC1CCCC1 511014974 TUSWJVZLRTWXHC-CVEARBPZSA-N 253.430 3.652 30 20 CHED C[C@@H]1CCN([C@H](C(=N)O)c2ccc(C#N)cc2)CC1(C)C 336010735 MCNYQKVQENZTQU-DOMZBBRYSA-N 285.391 3.503 30 20 CHED CC1CCC(CNC(=O)C2(c3cccc(C#N)c3)CC2)CC1 435029877 XEMOWKWYZQZTLP-UHFFFAOYSA-N 296.414 3.532 30 20 CHED N#C[C@@H](NC(=O)c1ccoc1Cl)c1ccc(Cl)cc1 334764242 SIOQJBSONVBEIQ-LLVKDONJSA-N 295.125 3.581 30 20 CHED C=C1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 336335339 FPIAPIAQAGEIDN-LLVKDONJSA-N 275.377 3.511 30 20 CHED C=CCN(Cc1cncs1)CC1CCCCC1 93382934 OCRDUFICYWURCC-UHFFFAOYSA-N 250.411 3.711 30 20 CHED CCc1nc(CCN[C@@H](C)c2ccc(C#N)cc2)sc1C 344174868 RHTXMIBUIICYND-LBPRGKRZSA-N 299.443 3.779 30 20 CHED CC[C@H](C#N)OC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 245874991 HIDRGTSEODWDNT-OAGGEKHMSA-N 295.423 3.987 30 20 CHED N#Cc1csc(CNCc2ncoc2-c2ccccc2)c1 344949254 HBCNVUNPUAFGHS-UHFFFAOYSA-N 295.367 3.565 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1sccc1CC 346891269 GOFSRAJIGHIBAY-UHFFFAOYSA-N 299.399 3.866 30 20 CHED C[C@H](CC#N)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 342116066 ORWHAAUJEAAIEG-ZCFIWIBFSA-N 274.107 3.616 30 20 CHED C=CCC[C@@H](C)NC[C@@H]1CCCN1C1CCCCC1 436289196 MEACUJSBFKVAND-WBVHZDCISA-N 264.457 3.728 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)CC1(CC#N)CC1 602755224 BGXYMDOXQDZTGF-UHFFFAOYSA-N 282.309 3.831 30 20 CHED CC(C)C[C@@H](C)N(C)C(=O)CSCCC(C)(C)C#N 342004764 TVARKGCDKMHRRW-CYBMUJFWSA-N 284.469 3.552 30 20 CHED CCc1ccc(/C=C2\CCc3nc(O)ccc3C2=O)cc1 255517643 JHIXEVSNOQJWNV-SDNWHVSQSA-N 279.339 3.562 30 20 CHED CC(C)CN(C(=O)C1=CCCC1)c1ccc(C#N)cc1 348513149 SNHVTVYJHXESHU-UHFFFAOYSA-N 268.360 3.658 30 20 CHED C=CCCC[C@H](C)NC(=O)c1occc1Br 182630142 PVRALBGPIVXXDP-VIFPVBQESA-N 286.169 3.517 30 20 CHED N#CC[C@@H](Cc1nc(-c2ccoc2)no1)c1ccccc1 347129772 WFZKKEWSIGTEGU-ZDUSSCGKSA-N 279.299 3.570 30 20 CHED N#Cc1ccnc(N2CCC[C@@]3(CC=CCC3)C2)c1Cl 342412719 JZZJKLGPAYNTDM-INIZCTEOSA-N 287.794 3.933 30 20 CHED CCCCOCC/N=C\c1cc(Cl)cc(Cl)c1O 255194484 GPKHXJGDEKNYRD-SXGWCWSVSA-N 290.190 3.935 30 20 CHED N#CCc1ccc(-c2nc(-c3ccsc3)no2)cc1 340205120 OEAMFNJLUNRNNW-UHFFFAOYSA-N 267.313 3.531 30 20 CHED Cc1occc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 346495529 MXNQOGONTUQBLU-UHFFFAOYSA-N 282.343 3.763 30 20 CHED C[C@@H](CCC#N)CNc1ccccc1Br 602489762 OZGZKNHTWMLAGV-JTQLQIEISA-N 267.170 3.801 30 20 CHED COc1cc(CSc2ccc(C#N)cc2Cl)ccn1 342731476 QBTIBEJHJLTXKT-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C[C@H]1CCCN([C@@H](C)CNc2cc(Cl)ccc2C#N)C1 609891729 HLIVRVNMSGQYGW-STQMWFEESA-N 291.826 3.744 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)CC1(CC#N)CC1 602766667 QNBRULOAYKJBPW-NSHDSACASA-N 264.319 3.651 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N1CC2(CCCC2)c2c(F)cccc21 448847616 LSYOFAMNJMEGHN-KPZWWZAWSA-N 298.361 3.534 30 20 CHED C=CCNC(=O)N(CCC)[C@@H](CC)c1ccccc1 521786840 CBXUPUVCTLWQSU-HNNXBMFYSA-N 260.381 3.745 30 20 CHED O=C(/C=C\c1cc2ccccc2o1)c1cncc(F)c1 255113353 AKHHHBUUFWTRKJ-WAYWQWQTSA-N 267.259 3.863 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)Cc1ccc(Cl)cc1 449548995 SULARZQDHWQJHB-MAZHCROVSA-N 279.811 3.594 30 20 CHED Cc1ccc(NC(=O)C(C)C)cc1N[C@@H]1CC[C@H](C#N)C1 442868318 QGLGMZQNZNGHQE-UONOGXRCSA-N 285.391 3.694 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)Cc1ccccc1 605062167 UITGGYDFQWHMRF-UHFFFAOYSA-N 288.435 3.863 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1Cc2c(Cl)cccc21 529200953 VNJYORUFODQODY-FZMZJTMJSA-N 275.779 3.547 30 20 CHED CCc1ccc(C=NOCc2ncc(C)s2)cc1 255898574 UIYGQQPPCZUMBR-UHFFFAOYSA-N 260.362 3.565 30 20 CHED C=CCN(C(=O)CCOc1cc(C)cc(C)c1C)C1CC1 539035349 RDUIHTNEZCPNGK-UHFFFAOYSA-N 287.403 3.558 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 354022584 QQFAMUGKYKQUBY-KBXCAEBGSA-N 289.394 3.536 30 20 CHED CC1(C)CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 353260904 UIYIJFVDVKIVBN-GOEBONIOSA-N 254.377 3.714 30 20 CHED N#CCn1cc(-c2ccccc2OC2CCCCC2)cn1 600778968 KXTPRPFGAGESNQ-UHFFFAOYSA-N 281.359 3.785 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442888151 FFQMMWMFENSPHO-UKRRQHHQSA-N 256.349 3.746 30 20 CHED N#CCCCCCC(=O)Nc1ccc2occc2c1 600443564 DAELLVJBHNIIAS-UHFFFAOYSA-N 256.305 3.845 30 20 CHED C=C(C)CCc1noc(-c2cccc3cnccc23)n1 351638805 ANHDFAXAOFRMIW-UHFFFAOYSA-N 265.316 3.794 30 20 CHED Cc1csc2nc(/C=C\c3ccc(C#N)s3)nc(O)c12 358202308 PIDQTUDUYPSEOS-PLNGDYQASA-N 299.380 3.809 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@H](SC)C2)CCCC1 449887899 NRENZNMEPISJOV-KBPBESRZSA-N 281.465 3.913 30 20 CHED C=CCN(Cc1cccs1)CC1(O)CCC(C)CC1 357678282 YMRPQABGHOHJJN-UHFFFAOYSA-N 279.449 3.677 30 20 CHED C=C(C)CCN[C@@H]1CCc2cc(F)c(F)c(F)c21 449470971 BVNGYJXDLVHQCH-LLVKDONJSA-N 255.283 3.647 30 20 CHED C=CCCOCCNC(=O)[C@@H](CC)CC1CCCCC1 535308363 UXECVAXRASJZLT-INIZCTEOSA-N 281.440 3.692 30 20 CHED CSc1cccc(F)c1CNCc1ccc(C#N)s1 352923124 GOKVPTJTPJMOTA-UHFFFAOYSA-N 292.404 3.771 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)CC1CCC1 441524352 ODUINOCFNDUPIZ-UHFFFAOYSA-N 256.393 3.816 30 20 CHED CS[C@H](CNC1CCC(C)(C#N)CC1)C(C)(C)C 449231287 DASUSTFWFROZRS-JVWICGRDSA-N 268.470 3.826 30 20 CHED C[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@H]1C 443513917 YIMKZDUOGXXQNP-UWVGGRQHSA-N 283.297 3.597 30 20 CHED N#CC[C@@H](CC(=O)Nc1cccc(C#N)c1)c1ccccc1 353305711 OORYIFVPMXMZNQ-INIZCTEOSA-N 289.338 3.584 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccc(F)cc1F)C(C)(C)C 538223789 CIBFXPKQVCVJHH-CJNGLKHVSA-N 297.389 3.969 30 20 CHED C[C@H](C#N)CN(C)c1ccnc2cc(C(F)(F)F)ccc12 536985014 FSXAIOAQXCBZNL-SNVBAGLBSA-N 293.292 3.849 30 20 CHED CC(C)Oc1cccc([C@@H](C)Nc2cccnc2C#N)c1 357305030 ROKFBUNBJFENEG-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)C[C@H](CC#N)c1ccccc1 354388092 KFTUNKCUFZZRGA-ZBFHGGJFSA-N 296.370 3.887 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(C(F)(F)F)CCCCC1 614396546 NNIIIEOXQDSEHD-LLVKDONJSA-N 277.330 3.970 30 20 CHED C=C(C)CN(CC)CC(=O)C12CC3CC(CC(C3)C1)C2 612913161 VSOLOXQEOVSAIM-UHFFFAOYSA-N 275.436 3.670 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)c2c(F)cccc2F)C1 617782118 YVKTXSKDUQIMPV-OLZOCXBDSA-N 293.357 3.883 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(CC#N)cc1 533949695 SWFKWNBFQWPNTC-HOCLYGCPSA-N 284.403 3.699 30 20 CHED C=CCCC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 617609900 VNPFGMQQCYFRDN-UHFFFAOYSA-N 284.186 3.844 30 20 CHED C[C@@H](CCc1ccco1)NCc1ccc(C#N)c(Cl)c1 619754714 ITAMMQVRIAWWQL-LBPRGKRZSA-N 288.778 3.916 30 20 CHED C=CCN(C(=O)C[C@@H](c1ccccc1)C(C)C)C1CC1 539033334 AJYDMWOPUHCZJW-QGZVFWFLSA-N 271.404 3.993 30 20 CHED COc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1C#N 610994748 PFXIDRACFWJWQW-AUUYWEPGSA-N 292.382 3.760 30 20 CHED C=C(CC)CSCC(=O)N1CCC[C@@H]2CCCC[C@H]21 536882373 VACBXDOBSSTMJY-LSDHHAIUSA-N 281.465 3.867 30 20 CHED CC(C)(CC#N)CN[C@@H]1CC[C@H](Cc2ccccc2)C1 459730416 MBKRUVBPNKYSFV-IAGOWNOFSA-N 270.420 3.927 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 610345560 VWAJDDVWILRTFX-UONOGXRCSA-N 293.370 3.680 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 454202954 KQTJPEGRNPDRJO-NSHDSACASA-N 298.333 3.614 30 20 CHED C[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCC1 457418322 HAGXTUVBAYWLSG-LBPRGKRZSA-N 270.376 3.862 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CCC)C1CCCC1 459317903 NLGDWKJLGSBFLE-AWEZNQCLSA-N 252.402 3.563 30 20 CHED CCC1(C(=O)NCc2ccc(C#N)c(Cl)c2)CCCC1 619766090 NHHVGGNZOZUJFB-UHFFFAOYSA-N 290.794 3.798 30 20 CHED CC[C@@H](NCc1ccc(Cl)nc1)c1ccc(C#N)cc1 278188445 FEMOGJZYTZWLTQ-OAHLLOKOSA-N 285.778 3.848 30 20 CHED CC[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 278383230 DGTMNVASYARSAP-DLBZAZTESA-N 284.403 3.701 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1c1ccc(C#N)cn1 543993941 MGCRIPMELDZKPF-YOEHRIQHSA-N 277.371 3.726 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)ccc2OC)CC1 361840937 ZVYFCKFHHHDXNS-UHFFFAOYSA-N 263.312 3.519 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)NCC(C)(C)CC#N 457993382 MOBLSKXVUJQZLW-AWEZNQCLSA-N 264.413 3.649 30 20 CHED C=C[C@H](CC(=O)NCC1=CCCCC1)c1ccccc1 452293721 UKUBYABESSYIMK-MRXNPFEDSA-N 269.388 3.963 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(-c2ccncc2)cc1 453352594 JSGVGIWPBLPIGS-ZMYBRWDISA-N 294.398 3.743 30 20 CHED N#Cc1cccc(C2(NCC3=CCCCC3)CC2)c1 450671655 ILLPWTZZQJXNQW-UHFFFAOYSA-N 252.361 3.637 30 20 CHED Cc1nc2ccccc2nc1SCC1(C#N)CCC1 450793699 JCUISEGPNQABBN-UHFFFAOYSA-N 269.373 3.724 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(CC#N)CC1 541916685 YWUVMQUGMZYKRL-HOTGVXAUSA-N 291.439 3.681 30 20 CHED CC(C)c1ccoc1C(=O)Nc1cccc(CC#N)c1 456752715 PKFQFWHMCKPLBM-UHFFFAOYSA-N 268.316 3.721 30 20 CHED C=C(C)CCNC(=O)N1Cc2ccccc2C2(CCC2)C1 455331861 XGCFVTKSRROAIX-UHFFFAOYSA-N 284.403 3.600 30 20 CHED C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1cccc(C#N)c1 546653520 NXFDYMIWGIKCPO-ZDUSSCGKSA-N 295.342 3.900 30 20 CHED C=CCC1(C(=O)N[C@@H](CCOC)c2ccco2)CCCC1 450507944 WIUVNEGAVUMOIL-AWEZNQCLSA-N 291.391 3.610 30 20 CHED C=CCCC(=O)Nc1cc(F)c(OC(C)C)c(F)c1 544061724 GNWMHRHJMOBXBM-UHFFFAOYSA-N 269.291 3.657 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@H](C)c1ccccc1 544026453 ZCWRBRLNGFTKOL-DZKIICNBSA-N 274.408 3.833 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C)c(C)c1 453369823 VABIPWPMJNOPDN-OIISXLGYSA-N 259.393 3.688 30 20 CHED C=CCCN(C)C(=O)C[C@H](c1ccccc1)C(F)(F)F 276367339 JWJUNRXBCDQCHZ-CYBMUJFWSA-N 285.309 3.757 30 20 CHED C=C(C)Cn1c(CC2CCCCC2)nnc1N(C)C1CC1 460938031 PLYUINOBRGNXMK-UHFFFAOYSA-N 288.439 3.576 30 20 CHED N#Cc1cccc(OCCNc2ccc(Cl)c(F)c2)c1 462215809 VICAPCCMYYKIEM-UHFFFAOYSA-N 290.725 3.842 30 20 CHED N#Cc1cccc(Sc2ncnc3cccc(F)c23)c1 467791495 YORFLNPWNAIFHG-UHFFFAOYSA-N 281.315 3.792 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(Cl)c2ccccc2n1C 467692180 RRUXDXFERYNFLH-LLVKDONJSA-N 290.794 3.916 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCC1(O)CCC(C(C)(C)C)CC1 467793119 PTSIKCZYRZTLHU-KSTDHSDQSA-N 295.467 3.672 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1c(F)cccc1Cl 558721178 DDWCMAGTFFCXSC-GOSISDBHSA-N 287.787 3.668 30 20 CHED CN(Cc1ccc2c(c1)CCC(C)(C)O2)CC(C)(C)C#N 552316548 DRWIERKYWQQSSB-UHFFFAOYSA-N 286.419 3.772 30 20 CHED N#Cc1cccc(CCNCc2cc3c(F)cccc3[nH]2)c1 466425868 PYJHJDPYFQZZFS-UHFFFAOYSA-N 293.345 3.511 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CC(c2ccccc2)C1 280720978 FSVNBTAMWHOICL-FCCDEINASA-N 271.404 3.503 30 20 CHED C=CCC[C@H](NC[C@H](CO)CC1CCCC1)C1CC1 467450216 NPMKOYGYSVAJQC-WBVHZDCISA-N 265.441 3.510 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc3ccc(Cl)cc3n2)C1 554574354 CMZFWYMOQIKZIA-UHFFFAOYSA-N 299.761 3.767 30 20 CHED CCCOc1cccc(NC(=O)c2cc(C#N)oc2C)c1 280611306 QJASTDKZSDRAGZ-UHFFFAOYSA-N 284.315 3.501 30 20 CHED C=CCOCCCN1CCCc2c(OC(F)F)cccc21 559432006 CPSJGEFFAMXLCY-UHFFFAOYSA-N 297.345 3.633 30 20 CHED FC(F)(F)c1ccc(C=NNc2ccc(Cl)nc2)[nH]1 807974389 FLNJWDCLNLNSFI-UHFFFAOYSA-N 288.660 3.528 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 478063422 DEQQDIMFKBEMNE-IUODEOHRSA-N 276.767 3.832 30 20 CHED N#CCCCC(=O)Oc1ccc(OCC2CC2)c(Cl)c1 294389116 DUVKUQJAVMAYJK-UHFFFAOYSA-N 293.750 3.728 30 20 CHED C#C[C@H](NC(=O)c1sccc1C(C)C)C(C)(C)C 807883456 BBRHWZSBVGGJJV-LBPRGKRZSA-N 263.406 3.649 30 20 CHED COc1ccccc1C[C@H](N[C@@H](C)CCC#N)C(C)C 298838014 HUGRUZWJHIWULC-HOCLYGCPSA-N 274.408 3.544 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C#N)s1 470645707 XJFPNOQJYPJBCM-UHFFFAOYSA-N 296.395 3.838 30 20 CHED C/C=C\COC(=O)c1ccccc1-c1ccccc1C#N 804464661 QGHNEVPLZBFCNG-IHWYPQMZSA-N 277.323 3.958 30 20 CHED Cc1ccccc1[C@H](N[C@H]1CC[C@H](C#N)C1)C(C)C 471590199 VFKBLYJHYMRRMN-YQQAZPJKSA-N 256.393 3.974 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC1(C)CC1 472002411 LUVDUQOHHRWIFJ-UHFFFAOYSA-N 272.392 3.574 30 20 CHED CCCCCCCCCC(=O)NC(C)(C)c1nc(C)no1 803649770 NZXJOPZYTMYWHT-UHFFFAOYSA-N 295.427 3.870 30 20 CHED CC[C@H](CC#N)NCc1ccc(Sc2ccccn2)o1 293615047 MCTVSYSRALGYRX-GFCCVEGCSA-N 287.388 3.608 30 20 CHED O=C(O)c1ccccc1NN=C1CCC[C@@H]1CCCF 800807932 DAEJBVMBCATHSV-LLVKDONJSA-N 278.327 3.703 30 20 CHED CC[C@@H]1CC[C@H](C)N1Cc1ccc(N(C)CCC#N)cc1 809768537 OGKPYMXLQMTZCB-DOTOQJQBSA-N 285.435 3.799 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCCCc2cccs2)c1 569549519 ULUNRYVUOZGNML-UHFFFAOYSA-N 299.399 3.683 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C=NN[C@H]1CCSC1 808003597 QFIINKWPHCHRPY-NSHDSACASA-N 293.823 3.559 30 20 CHED Cc1cc(C)c(CC(=O)N2CCC(CCC#N)CC2)c(C)c1 565020653 YMPGMYKSFKOLTL-UHFFFAOYSA-N 298.430 3.697 30 20 CHED N#Cc1cccc(CNCc2cc(C3CC3)ccc2F)c1 295078676 IAZODJHCPIBLBE-UHFFFAOYSA-N 280.346 3.865 30 20 CHED C#Cc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 809657409 DXROKTSQQITXBL-LJQANCHMSA-N 279.358 3.974 30 20 CHED Cc1c(C(=O)NC[C@H]2CC23CC3)sc2ccc(C#N)cc12 561070701 IJKQUVFAMCCOFR-GFCCVEGCSA-N 296.395 3.611 30 20 CHED N#Cc1cc(N(C#N)CCCc2cccc(F)c2)ccc1F 484665610 VFSPWDRDKCEPOV-UHFFFAOYSA-N 297.308 3.757 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(Cl)cc1OC 817581536 PXSIIIDONUBFLI-LBPRGKRZSA-N 265.784 3.803 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(C#N)cc1F)[C@@H](C)CC 1340611005 JEZMMFQHGKEZLN-RYUDHWBXSA-N 276.355 3.737 30 20 CHED N#CCCCC(=O)Oc1ccc(-c2ccccc2)cc1 812824238 WKNHLNFZHNSVLM-UHFFFAOYSA-N 265.312 3.953 30 20 CHED C#Cc1ccccc1Cc1nc(-c2cccc(C)c2)no1 810277959 WOUSAKYROFUKTL-UHFFFAOYSA-N 274.323 3.617 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)SCc1ccccc1 488846504 TTYSOQJTAMGIQH-HOCLYGCPSA-N 289.444 3.875 30 20 CHED Cc1[nH]c(=N[C@H](c2ccccc2)C2CCC2)ccc1C#N 488073667 XFSZJKNCFUMNMQ-GOSISDBHSA-N 277.371 3.637 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(C3CC3)c2)n(C)n1 817345329 FEYVINDDJSPSQX-TWGQIWQCSA-N 266.344 3.502 30 20 CHED C[C@H](NN=C1C[C@@H](C)c2ccccc21)c1ccncc1 819817515 AECNUMRIKYDTEC-OLZOCXBDSA-N 265.360 3.644 30 20 CHED CC(=NOCC1CC1)c1cc(Br)cc(C)c1O 814243131 HGMGIKVDKDMJNN-UHFFFAOYSA-N 298.180 3.614 30 20 CHED C=CCCCCN[C@@H](C)c1nc(-c2cccc(F)c2)no1 577571554 GHRFTHDTGXRZML-LBPRGKRZSA-N 289.354 3.883 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(-c2cnco2)c1 489057660 AQZUBLBHSMBFQI-UHFFFAOYSA-N 293.326 3.581 30 20 CHED c1ccc2nc(NN=C3CC[C@H]3C3CCC3)cnc2c1 814830398 JQYAEOWXVBODEH-LBPRGKRZSA-N 266.348 3.608 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H](C)C(C)C)cc1 573101099 HTKBGBOWXUBCNF-CJNGLKHVSA-N 272.392 3.564 30 20 CHED COc1cc(C#N)cc(OCCCc2ccsc2)c1 486065428 DONKTRKUBKPYMI-UHFFFAOYSA-N 273.357 3.640 30 20 CHED Cl/C=C/CON=Cc1c(Cl)ccc2cccnc12 811671581 TWWDCRDIJOZHGK-PHLFHKSWSA-N 281.142 3.991 30 20 CHED Cc1c(C=NNc2ccc(Cl)nc2)n(C)c2ccccc12 814859649 YYGVBIMGTVVWEA-UHFFFAOYSA-N 298.777 3.981 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccc(Cl)cc1 812386752 AGIISUNOAYMYDL-YVLHZVERSA-N 275.735 3.673 30 20 CHED Clc1ccc(CN2CCC(=NOCC3CC3)CC2)cc1 814244215 JGVCRJQLAZSMIJ-UHFFFAOYSA-N 292.810 3.718 30 20 CHED N#Cc1cncc(N[C@H](CC2CCC2)c2ccccc2)n1 571273952 NDNMVPLFYLFUOY-MRXNPFEDSA-N 278.359 3.692 30 20 CHED CCC1(CC)CCC(NC(=O)c2ncc(C#N)cc2C)CC1 579455450 CRHFUGNRIVUYHI-UHFFFAOYSA-N 299.418 3.741 30 20 CHED N#Cc1ccc(NC(=O)C2(C(F)F)CCCC2)c(Cl)c1 577321400 SYKQIFFNTYYJMS-UHFFFAOYSA-N 298.720 3.976 30 20 CHED CCc1cc(CN(C)[C@H](C)CC#N)c(O)c(C(C)(C)C)c1 728902988 ZYRNBGYNVXICGH-CYBMUJFWSA-N 288.435 3.986 30 20 CHED CC#CCCNCc1cnc(-c2ccc(C)cc2)s1 499218889 ZFHOQCXDNAGSRM-UHFFFAOYSA-N 270.401 3.622 30 20 CHED C=CCC1(C(=O)Nc2ccnn2CC2CC2)CCCCC1 827166684 QWUFRHLHGQFTKZ-UHFFFAOYSA-N 287.407 3.758 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2nc(Cl)sc2c1 823845263 JCQJMJMNPJMAKY-UHFFFAOYSA-N 293.779 3.828 30 20 CHED Cc1ccc(NC(=S)N(CCC#N)CC2CC2)cc1C 728790370 TVRRAORHFQUYIM-UHFFFAOYSA-N 287.432 3.626 30 20 CHED C[C@H]1CCN(Cc2ccc(Cl)cc2C#N)CC1(F)F 494223499 MZGGWVMBRQUCKC-JTQLQIEISA-N 284.737 3.689 30 20 CHED Cc1cc(C=NNc2ncnc3sccc23)ccc1F 729142655 BPDPNKSGOHIVHX-UHFFFAOYSA-N 286.335 3.585 30 20 CHED CC(C)[C@@H]1N(C(=O)Cc2cccc(C#N)c2)CC12CCCC2 582225594 FINGMXYSHZEZEV-SFHVURJKSA-N 296.414 3.528 30 20 CHED CC/C(C)=C/C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 823222867 RTBGWGASLKGRPL-RSPDNQDQSA-N 296.292 3.743 30 20 CHED C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(C)(C)C 661755257 KYWWQFYXYRUHFO-UHFFFAOYSA-N 285.391 3.832 30 20 CHED C[C@H](N(C)c1snc(Cl)c1C#N)C(C)(C)C 733186289 DMVHZMAETKUUPS-ZETCQYMHSA-N 257.790 3.539 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(C(C)(C)C)co1 583271487 GWAKBWCRVLUMCT-UHFFFAOYSA-N 250.342 3.513 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(C(F)F)c1 837388242 MDGIGCDOZVMGES-UHFFFAOYSA-N 251.276 3.612 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1csc2ccccc12 732918621 QEWXTSLRKQMIHZ-QWHCGFSZSA-N 283.400 3.995 30 20 CHED CCCCOc1ccccc1/C=C\C(=O)c1cnccn1 588476573 RYCWDJAHUKZXCM-HJWRWDBZSA-N 282.343 3.552 30 20 CHED C=CCOc1cccnc1C(=O)O[C@H](C)CC(C)(C)C 835704068 MVABUWJFWUPLMC-GFCCVEGCSA-N 277.364 3.628 30 20 CHED C=CC(C)(C)C(=O)O[C@@H]1CCOc2cccc(C)c21 835466991 MVYJQGYZOBUQEY-CYBMUJFWSA-N 260.333 3.574 30 20 CHED Oc1ccccc1/C=N\Cc1coc2ccccc12 733902895 CYZUNMVJDGWCNW-MFOYZWKCSA-N 251.285 3.758 30 20 CHED C=CCC1(C(=O)OCc2ccc(OCC)cn2)CCCC1 838279956 LBLMTKSXVDVGIC-UHFFFAOYSA-N 289.375 3.660 30 20 CHED COc1ccc2oc(/C=C\C(=O)c3ccncc3)cc2c1 588386525 BVJWZUKQFMBTQR-RQOWECAXSA-N 279.295 3.733 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N(C)C[C@H](C)C#N 499100496 PNHKQRWDTFKMQZ-GDBMZVCRSA-N 278.440 3.991 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2nnc(C)o2)CCCCC1 838151820 WHMHXGFQTTXLHF-NSHDSACASA-N 278.352 3.509 30 20 CHED CCc1cccc2c(C=NNc3nccnc3Cl)c[nH]c12 733079172 YGUNEAQEWARVRE-UHFFFAOYSA-N 299.765 3.620 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2C[C@H]2c2ccco2)CCC1 909462119 VRLGYGJIPXAIQO-ZIAGYGMSSA-N 287.359 3.790 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)Oc1ccc(C#N)cc1 734768652 RTXXFTHNLODAOK-CQSZACIVSA-N 279.339 3.966 30 20 CHED C=CCC1(NC(=O)[C@H]2CC2(Cl)Cl)CCCCC1 836956736 LJMYUAGHOBRIOB-SNVBAGLBSA-N 276.207 3.575 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)N1CCC(CCC#N)CC1 582603309 UKWYEWIPQBTHIG-KBPBESRZSA-N 279.428 3.536 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(C)n1C(C)C 839044653 PEERCXYNHHLDIQ-GJZGRUSLSA-N 288.391 3.925 30 20 CHED C=CCCCCCN(C)C(=O)/C=C/c1cccs1 739653249 AHRLAJVBUUBGLQ-ZHACJKMWSA-N 263.406 3.966 30 20 CHED C=CCC1(CNC(=O)/C=C/c2cnc(C)s2)CCCC1 836990526 IEYMDIBHEZZHQZ-VOTSOKGWSA-N 290.432 3.717 30 20 CHED CC[C@@H](C)N(C(=O)c1ccc(C#N)cc1OC)[C@H](C)CC 904247045 YBVCXOCTYRRWJI-CHWSQXEVSA-N 288.391 3.606 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(Br)cc1F 837306707 FQBNQJYPJVUAID-UHFFFAOYSA-N 298.155 3.576 30 20 CHED C=CCON=C([C@@H](C)OCc1ccccc1)C(F)(F)F 835014693 KJRURXGYGDOYQB-LLVKDONJSA-N 287.281 3.713 30 20 CHED C=CCCCC(=O)OCc1cc(C)nc(Br)c1 839021089 XKRNQPBZDQHQRP-UHFFFAOYSA-N 298.180 3.552 30 20 CHED C[C@]1(C(=O)OC[C@H](C#N)Cc2cccs2)CC=CCC1 835261814 XZWFBUSYKJKXBZ-BBRMVZONSA-N 289.400 3.720 30 20 CHED N#Cc1cccc(COC(=O)C[C@@H]2CCc3ccccc32)c1 734627380 PXJJFDSVZGWXLT-KRWDZBQOSA-N 291.350 3.722 30 20 CHED N#Cc1ccsc1C(=O)OC[C@@H]1CCCCC1(F)F 835639540 VDIRAXCJFWBTGU-JTQLQIEISA-N 285.315 3.602 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 835348566 PIRZDQMPWCTDJW-MCIONIFRSA-N 293.370 3.632 30 20 CHED C[C@H](ON=C1CCC1)C(=O)Nc1ccc(C(C)(C)C)cc1 735489791 FSEZZRQUOCKDHS-LBPRGKRZSA-N 288.391 3.868 30 20 CHED CC(CC(C)(C)C)=NNc1cc(Cl)nc(C)n1 834962820 QIGPBOSXYLURJY-UHFFFAOYSA-N 254.765 3.662 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 835038677 XXBOFNAJEQFGLM-VBHSOAQHSA-N 295.386 3.576 30 20 CHED N#CCCCOc1cccc(CNC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 594985338 WNODSUOCJUMINJ-CWLKWCNXSA-N 296.414 3.503 30 20 CHED C=C(CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 672480112 VLFMWWACBJUCLZ-QZTJIDSGSA-N 295.357 3.759 30 20 CHED C=CCC1(C(=O)OCc2cccc3nccn23)CCCC1 835235985 FYTVDBWRKAJHFB-UHFFFAOYSA-N 284.359 3.514 30 20 CHED CCOC(=O)c1ccc(S[C@H]2CC[C@@H](C#N)C2)c(F)c1 592361226 ORWZMWXGBBMSAB-PWSUYJOCSA-N 293.363 3.787 30 20 CHED CCCOc1ccc(C=NNc2ccc(Cl)nc2)cc1 743449861 GMUZKGSABLUOCU-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1csc2cc(C)ccc12 594086949 GANFVOIJJDMCNF-NSHDSACASA-N 272.373 3.584 30 20 CHED C=C(Br)CSc1nc(C)nc2ccccc12 918715396 HGYHYRGVKQTQGV-UHFFFAOYSA-N 295.205 3.939 30 20 CHED CC(=NN=C1CC[C@@H]2CCCC[C@H]2C1)c1cnccn1 745203927 RZNBBHUWHVCHHZ-KBPBESRZSA-N 270.380 3.632 30 20 CHED Cc1cc(CON=Cc2ccccc2C(F)(F)F)on1 749353908 SGZXXQQCOBRTSB-UHFFFAOYSA-N 284.237 3.553 30 20 CHED C=C(C)COc1cccc(NC(=O)C#Cc2ccccc2)c1 747380101 BSINXOWQZXZFCF-UHFFFAOYSA-N 291.350 3.632 30 20 CHED COc1ccc(C=NNc2cccc(C#N)c2)cc1Cl 741456997 DUCCAPICQVSBLU-UHFFFAOYSA-N 285.734 3.666 30 20 CHED C=CCOc1ccc(-c2nc(C3CCCC3)no2)cc1 598628076 VWZZLMVFYYPIRN-UHFFFAOYSA-N 270.332 3.959 30 20 CHED N#CCc1cccc(C(=O)OCCCC2CCCC2)c1 744788372 LGZSMASCPQWATE-UHFFFAOYSA-N 271.360 3.880 30 20 CHED CCN(CCc1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 595342603 NOMDOFMTPQJZPN-HNNXBMFYSA-N 294.398 3.889 30 20 CHED N#CCc1ccc(COC(=O)CC2(C#N)CCCCC2)cc1 849907184 WOGIMBXJISPFPV-UHFFFAOYSA-N 296.370 3.660 30 20 CHED FC(F)SCc1ccc(C=NNc2ccccn2)o1 916273899 VUQKIBZFNZMPBD-UHFFFAOYSA-N 283.303 3.576 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H](C3CCC3)C2)c1C#N 591204070 AOXBOAWZRFZAQL-LBPRGKRZSA-N 275.783 3.542 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)CC1(C#N)CCCCC1 597471560 PBYNDNJRVIIKCS-KBPBESRZSA-N 262.397 3.640 30 20 CHED C#CC1CCN(C(=O)c2cc3ccccc3n2CCC)CC1 843705307 AQKISDUVMXQREA-UHFFFAOYSA-N 294.398 3.537 30 20 CHED N#CCc1cccc(NC(=O)C[C@@H]2CCc3ccccc32)c1 590884474 MQFZQDWHELCDPN-INIZCTEOSA-N 290.366 3.811 30 20 CHED C#CC1CCN(C(=O)[C@](C)(CC)CCCCC)CC1 843705619 JNSMZNLSGMCFSD-QGZVFWFLSA-N 263.425 3.855 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc2ccccc2n1C1CCCC1 593482613 VIYRXLUJUOEVGH-LBPRGKRZSA-N 296.374 3.640 30 20 CHED Clc1ccc(NN=C2CCc3ccccc3C2)cn1 743450893 STYJQGYLMMRNMX-UHFFFAOYSA-N 271.751 3.692 30 20 CHED C=CCC(C)(C)C(=O)NCCC[C@@H]1CC1(Cl)Cl 844958524 QWCLWNMLUCKQPF-SNVBAGLBSA-N 278.223 3.679 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCC[C@@H]2C[C@H]12 591243969 VCVCPVBONYHZPI-SPUZQDLCSA-N 266.388 3.714 30 20 CHED C=CCOc1ccc(CNCc2cccc(CC)c2O)cc1 848910511 LJYMOWWPHPIKSY-UHFFFAOYSA-N 297.398 3.809 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc2ccncc2c1 593087746 PJRCETSAGZVTQB-UHFFFAOYSA-N 295.386 3.827 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(C#N)s1)C2=O 748999542 YUHCFWUHWFWHGN-YRNVUSSQSA-N 265.337 3.751 30 20 CHED Cc1ccc(SCC(=O)OCC2(CC#N)CC2)c(C)c1 744279400 MOQFZJPCSGXTCO-UHFFFAOYSA-N 289.400 3.633 30 20 CHED C#CC[C@H](NCc1ccc(N(C)C)cc1C)c1ccccc1 840935706 AWKOVEGTMIZAGL-FQEVSTJZSA-N 292.426 3.915 30 20 CHED CC#CCCNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 681538409 QCNXSENZVPWCKN-INIZCTEOSA-N 298.430 3.973 30 20 CHED CCc1cc(C#N)c(NC(=O)c2scnc2Cl)s1 920082503 ILELMAFOSRHWKC-UHFFFAOYSA-N 297.792 3.544 30 20 CHED CCOc1ccc(C=Nc2cc(C)ccc2OC)c(O)c1 920942695 OLWYDNRYSNUPLF-UHFFFAOYSA-N 285.343 3.859 30 20 CHED N#CC1(C(=O)Nc2ccc(F)cc2Cl)CCCC1 44292972 JDEPEGVETFTVOP-UHFFFAOYSA-N 266.703 3.502 30 20 CHED CCOc1cccc(/C=N\CC(C)(C)c2cccnc2)c1O 840713112 PPWJBCCLGBKSQL-JAIQZWGSSA-N 298.386 3.583 30 20 CHED C=CCCCc1nc(-c2cc(N3CCCCC3)ccn2)no1 848619137 NWSCEIATOJFXLX-UHFFFAOYSA-N 298.390 3.631 30 20 CHED C=CCc1cc(CN(CC)[C@@H](C)C(C)C)c(O)c(OC)c1 754719530 DAJHPRXVEBCXAR-AWEZNQCLSA-N 291.435 3.996 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccccc1C#N 755593013 LSOZPKNBIOOKOL-TWGQIWQCSA-N 265.287 3.902 30 20 CHED CCC[C@H]1CCCCN1Cc1ccc(OCC#N)cc1 755244838 JUDVTMXUNJWBGP-INIZCTEOSA-N 272.392 3.744 30 20 CHED CCC(=NNc1oc(C)nc1C#N)C1CCCCC1 750935851 IHVMMETXEZMLQW-UHFFFAOYSA-N 260.341 3.613 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(C(C)C)nc1)c1ccccc1 757618720 YLWDDLWDLQMJPH-GOSISDBHSA-N 292.382 3.699 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Cl)c2ncccc12 681767495 ZAVWIGDKJJOQSF-UHFFFAOYSA-N 275.739 3.538 30 20 CHED C=C[C@@H](CC(=O)OCCCCC(C)=O)c1ccccc1 758913309 QUQRMDTWCMFLIZ-HNNXBMFYSA-N 274.360 3.649 30 20 CHED Cc1nn(Cc2ccccc2)c(C)c1C=NOCC1CCC1 753822609 WJHMLOQBKHPLON-UHFFFAOYSA-N 297.402 3.699 30 20 CHED Oc1cccc(C=Nc2cccc(C(F)F)c2)c1O 750950024 MKYOXTMSOAMJNB-UHFFFAOYSA-N 263.243 3.786 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1F 752879106 FGEVXWWWLNFPTR-FPYGCLRLSA-N 289.237 3.769 30 20 CHED C#CCCCC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 758061555 DPUZUEZZVUZJET-CABCVRRESA-N 263.425 3.901 30 20 CHED C=CCc1cc(CN(CC)C2CCC2)c(O)c(OC)c1 754733001 ZNIFQUSAXPWTKA-UHFFFAOYSA-N 275.392 3.504 30 20 CHED C(=NOCc1cccc(CN2CCCCC2)c1)C1CC1 853736172 ORWOCPBIFVGAED-UHFFFAOYSA-N 272.392 3.585 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC23CCCC3)c(F)c1 853396278 DCEZTBSGENAVBH-UHFFFAOYSA-N 277.299 3.856 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2ccccc2n1 851213394 GCQJYHMFCMDTFS-LBPRGKRZSA-N 282.343 3.720 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 851203887 GXMOAMKPJULOJW-BYCMXARLSA-N 289.350 3.801 30 20 CHED C[C@@H]1C[C@@H](C)CN(CCCCN[C@H](C)CC(C)(C)C#N)C1 924687552 WDTWTMHDGRTHCM-BRWVUGGUSA-N 293.499 3.662 30 20 CHED C[C@H](OC(=O)c1ccccc1OCC#N)c1ccc(F)cc1 920155199 WTAPPVPWNCFUBR-LBPRGKRZSA-N 299.301 3.646 30 20 CHED Fc1cccc(NN=C[C@H]2CCOc3ccccc32)c1 752164873 PVPOVFRQFWAPHG-GFCCVEGCSA-N 270.307 3.790 30 20 CHED Cc1[nH]c2ccccc2c1C=NN1CCCC[C@@H]1C 853378535 FWSLDOILDIXVBY-LBPRGKRZSA-N 255.365 3.685 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1ncc(Cl)cn1 857220265 DRPXIVABPAVTMA-JQWIXIFHSA-N 264.760 3.520 30 20 CHED CC[C@@H](NCc1cc(C(C)C)no1)c1cccc(C#N)c1O 925069935 YLNMAROUSWXFOX-OAHLLOKOSA-N 299.374 3.616 30 20 CHED CC(CCc1ccsc1)=NNc1ncc(Cl)cn1 857221276 WVXPTZPSFDKXOR-UHFFFAOYSA-N 280.784 3.612 30 20 CHED C#CC[C@H](NC(=O)[C@H](CC)OC1CCCC1)c1ccccc1 758006714 PJOLHNUGDJLWDR-ROUUACIJSA-N 299.414 3.605 30 20 CHED C=CC[C@@H](C)NC(=O)OCc1ccc(Br)cc1 858991288 FKXKVAUOYIIWSB-SNVBAGLBSA-N 298.180 3.640 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1N[C@H](C)COC 935790230 SCQHGGZSUOQPNK-KGLIPLIRSA-N 290.407 3.674 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2sccc2C#N)CC12CCC2 931836541 GDARAKZDDHPUDO-LBPRGKRZSA-N 289.404 3.662 30 20 CHED C#CCCCC(=O)OCC1CCC(C(F)(F)F)CC1 759173778 PCEGHSBXMXUYPY-UHFFFAOYSA-N 276.298 3.702 30 20 CHED O=Cc1ccc(OCC#Cc2cccc(Cl)c2)c(F)c1 755860370 OLUKDIWGJIQJGA-UHFFFAOYSA-N 288.705 3.722 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 933130567 SLMSQBZQEANGQM-IJEWVQPXSA-N 281.440 3.546 30 20 CHED N#Cc1ccc(NCCc2cc(Cl)cc(Cl)c2)nc1 49281908 JNTOXCGXLLGJSY-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(C)nc(Cl)c1 934208097 BXUNPRIPEHKYLO-LBPRGKRZSA-N 279.771 3.616 30 20 CHED CCOc1ccccc1C=NOC/C(Cl)=C\Cl 763167387 AOQHLOHKASEOSH-TZSGXZTKSA-N 274.147 3.755 30 20 CHED N#Cc1ccc(OC(=O)OC2CCCCC2)cc1F 866755811 LMQZYGQMSPBKGG-UHFFFAOYSA-N 263.268 3.545 30 20 CHED COc1cc(F)cc(NN=Cc2cnc(C3CC3)s2)c1 761818065 QMLPESWXZRTSTG-UHFFFAOYSA-N 291.351 3.614 30 20 CHED CCC(=NNc1nccnc1Cl)c1cc(C)ccc1C 863093524 PXIZIHZDUMLYIP-UHFFFAOYSA-N 288.782 3.973 30 20 CHED C=CCC[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)C1CC1 860622007 UJGAJYXKMAZJSH-MGPQQGTHSA-N 260.333 3.671 30 20 CHED Cc1ccc(-c2cccc(C=NNc3cnn(C)c3)c2)cc1 761866552 IXCOFOGABNWWRE-UHFFFAOYSA-N 290.370 3.842 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCOC[C@@H]1OCC 768528580 FKHPNDAGIDDKEG-XHSDSOJGSA-N 271.445 3.519 30 20 CHED CCO[C@@H]1CCCC1=NNc1cccc2cnccc12 766447159 MAIWYPLOGZWYTR-MRXNPFEDSA-N 269.348 3.592 30 20 CHED C#CCCCN(Cc1ccc(OCC)cc1)C(C)C 766895579 MHDYIEHULOIIMZ-UHFFFAOYSA-N 259.393 3.709 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(C)cc(C)c1 860193403 HBMCTBVHOXTRND-UHFFFAOYSA-N 259.349 3.677 30 20 CHED N#Cc1ccc(OC(=O)OC2CCCCC2)c(F)c1 866981635 DTNGITTYODQAKF-UHFFFAOYSA-N 263.268 3.545 30 20 CHED CC[C@H](C)c1ccc(C(C)=NNc2cccnn2)cc1 863094364 QWMFKOPBRVSCRF-LBPRGKRZSA-N 268.364 3.826 30 20 CHED C#Cc1cccc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 766447447 QXXSQLXVJDXQCN-JXFKEZNVSA-N 290.410 3.915 30 20 CHED C#CCCc1noc(/C=C\c2ccccc2O[C@@H](C)CC)n1 762010223 IQEKQXJVVSQPJA-DINCDJDBSA-N 296.370 3.983 30 20 CHED CCCCCCCNC(=O)[C@H]1CCC(=O)c2ccccc21 862356370 WTODRNZRSLGJFM-INIZCTEOSA-N 287.403 3.833 30 20 CHED CC[C@H](C)c1ccc(C(C)=NNc2cnccn2)cc1 863079411 MGMJRVDDNGDOFY-LBPRGKRZSA-N 268.364 3.826 30 20 CHED Cc1nc(-c2ccc(C(=O)OCCCC#N)s2)cs1 869799313 SMPALOXODDXWQH-UHFFFAOYSA-N 292.385 3.641 30 20 CHED CCc1ccc(C=NNc2nc3ccccc3s2)o1 760217477 GSABXNVJRLXSCH-UHFFFAOYSA-N 271.345 3.898 30 20 CHED Cc1cccc(CCC(=O)O[C@@H](C#N)C2CCCCC2)c1 776366490 NYHHUMRHKBTEQP-KRWDZBQOSA-N 285.387 3.943 30 20 CHED C[C@H]1C[C@@H](OC(=O)c2ccc(C#N)s2)CC[C@H]1C 770996104 SFWHVHZUSQKYNI-VWYCJHECSA-N 263.362 3.601 30 20 CHED C=C(CC)COc1ccc2c(CC)cc(=O)oc2c1 773179922 BOYZYICPFCTMOW-UHFFFAOYSA-N 258.317 3.700 30 20 CHED C#CCCCCCC(=O)NCCCSc1ccccc1 779736351 URFIPAIALHJJJN-UHFFFAOYSA-N 289.444 3.869 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1nc(-c2ccccc2)no1 773635213 KYSRWOIHXLNAQP-CYBMUJFWSA-N 298.342 3.534 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC3(CCC3)C2)c(Cl)c1 772842818 QZVWLCGKQZCAMC-UHFFFAOYSA-N 279.727 3.980 30 20 CHED CCCN(CCC)CC[C@@](C#N)(C(C)=O)c1ccccc1 877960723 AENXTOAMOCQHDA-GOSISDBHSA-N 286.419 3.549 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCCC3(C)C)[nH]c12 774104313 RBPZJHSOISFFDS-OLZOCXBDSA-N 295.386 3.874 30 20 CHED C=CC1CCN(C(=O)c2ccc3cc(OC)ccc3c2)CC1 1116032069 KQVNDVKAKCFCOL-UHFFFAOYSA-N 295.382 3.887 30 20 CHED C=C(CC)COC(=O)c1ccc2nc(C(F)F)[nH]c2c1 773514490 GLTBKEPIDUHBKM-UHFFFAOYSA-N 280.274 3.624 30 20 CHED COC1CCC(CC(=O)O[C@H](C#N)C2CCCCC2)CC1 776397752 URHKQNYYXIHCKM-AVVWSFFYSA-N 293.407 3.597 30 20 CHED CC[C@]1(C)CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 878188826 UUKWTCMLNURIGD-MOPGFXCFSA-N 298.430 3.549 30 20 CHED Cc1cc(C=NNc2ccc3[nH]ncc3c2)c(C)s1 779815599 CRONRSDFZYUCMQ-UHFFFAOYSA-N 270.361 3.687 30 20 CHED CC1(C)Cc2cc(N[C@@H]3CCC[C@H](C#N)C3)ccc2O1 774341739 CSPILSCZXNJCTG-GXTWGEPZSA-N 270.376 3.894 30 20 CHED C#CC[C@H](N[C@H](C)CC1CCOCC1)c1ccccc1 773116420 ROVRGOOCIRTKAW-QAPCUYQASA-N 271.404 3.546 30 20 CHED CC1(C)Cc2cc(/C=C\C(=O)c3cscn3)ccc2O1 776193101 OSIAUOCUGFKDKK-HYXAFXHYSA-N 285.368 3.753 30 20 CHED Cc1ccc(F)c(C(=O)OCc2ccc(CC#N)cc2)c1 776110400 PRYAXIFJORHQRL-UHFFFAOYSA-N 283.302 3.557 30 20 CHED C=CCC1(O)CCN(CCCc2ccc(Cl)cc2)CC1 886766727 PXYDPMMHERATDY-UHFFFAOYSA-N 293.838 3.676 30 20 CHED N#Cc1c(F)cccc1NCCCOc1ccccc1F 784212929 GLROPHGVAQWZOX-UHFFFAOYSA-N 288.297 3.717 30 20 CHED C=CCC(CC=C)C(=O)OC[C@@H]1CCC2(CCCC2)O1 784118623 NLMOFSVCZMIPLV-HNNXBMFYSA-N 278.392 3.790 30 20 CHED CC1(C)CC(C(=O)Nc2cc(C#N)ccn2)CC(C)(C)C1 1128190717 VVRIGTMDXYIITR-UHFFFAOYSA-N 285.391 3.744 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc(Cl)cc1F 783515109 WFDHRLNHGLSFPA-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=C(Cl)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 783908453 VBABWZZRKWDXDQ-UHFFFAOYSA-N 281.617 3.745 30 20 CHED CCCCCC[C@H](C)NN=C1CCC[C@@H](N(C)C)C1 788432675 DTNAVYPZLPHANS-GOEBONIOSA-N 267.461 3.795 30 20 CHED C=C(CNC(=O)N(CC1CC1)C(C)C)c1ccccc1 894847685 DPJWIMRUTCHZRM-UHFFFAOYSA-N 272.392 3.530 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H](c1ccncc1)C1CC1 897422744 QIEVITWTKJRSPC-LLVKDONJSA-N 290.779 3.626 30 20 CHED CCCCCC[C@H](C)NN=C1CCC(OC)CC1 783850598 ZVZJLAFVKDKWTD-CFMCSPIPSA-N 254.418 3.880 30 20 CHED N#CC1(CC(=O)N[C@H](c2ccncc2)C2CC2)CCCCC1 890901586 GPUJNDJVLKJEDK-KRWDZBQOSA-N 297.402 3.513 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1csc([C@H](C)OCC)n1 785754223 OAOBYNBNNLWPDJ-NHYWBVRUSA-N 297.420 3.886 30 20 CHED C=C1CCC(C(=O)Nc2cc(Cl)c(O)cc2F)CC1 897759065 UITRFAYVSQQVNW-UHFFFAOYSA-N 283.730 3.870 30 20 CHED CCCCCC[C@H](CC)C(=O)Nc1c(C#N)c(C)nn1C 892624196 LBVVKDVZQVYODB-ZDUSSCGKSA-N 290.411 3.535 30 20 CHED C#CCCCCCc1nc(-c2ccc(C)cc2OC)no1 788479439 AAAWNSVBYAJQKW-UHFFFAOYSA-N 284.359 3.790 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1csc(Cl)c1 787146159 VZNKAYOBGXZOMI-UHFFFAOYSA-N 294.763 3.936 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 1138961375 KAESJWRYTYJGLP-MBNYWOFBSA-N 285.391 3.611 30 20 CHED Cn1cc(/C=C2\Cc3cc(Cl)ccc3C2=O)c(C2CC2)n1 899360295 IBVJXZRVWLYWCK-KPKJPENVSA-N 298.773 3.773 30 20 CHED Cc1ccc(C(=O)NC[C@H](C)c2ccc(F)cc2)cc1C#N 799319664 NJIDPJICGIOPAG-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED C#C[C@@H](NC(=O)c1csc2ccccc12)C(C)(C)C 702235834 FDUYTDLOBPRLHF-CQSZACIVSA-N 271.385 3.679 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc(Cl)c1 187511614 LSMCVGGRRDMVIX-UHFFFAOYSA-N 278.783 3.884 30 20 CHED COc1cc(F)cc(NN=C[C@@H](C)CC(C)C)c1 799110932 KAGOLJVEFXVMPQ-NSHDSACASA-N 252.333 3.914 30 20 CHED CCN(C[C@@H]1CC[C@H](C)O1)[C@@H](C)c1ccc(C#N)cc1 188540384 IBFRWFXMKJDATD-ZQIUZPCESA-N 272.392 3.509 30 20 CHED Cc1ccc2c(C(=O)O[C@H](C)CC#N)csc2c1 796707220 BOCXCFRIZYQFHR-SNVBAGLBSA-N 259.330 3.669 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1ccnn1C(C)C)C2=O 794938330 OIIAWVDIPCAKDG-NTEUORMPSA-N 296.370 3.740 30 20 CHED CC(C)CCC(=O)Nc1ccc(Br)c(C#N)c1 690185236 HGYYRKMWIZVSMK-UHFFFAOYSA-N 295.180 3.695 30 20 CHED N#Cc1cccc(C(=O)O[C@@H]2CCCc3ccc(F)cc32)c1 797233608 FIEXTOFDRTXZIV-QGZVFWFLSA-N 295.313 3.932 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc(F)cc1F 798370012 ZNWVMFXBBBKQBN-DAXSKMNVSA-N 290.313 3.947 30 20 CHED C#C[C@@H](NC(=O)c1nc(C)sc1-c1ccccc1)C(C)C 799046439 JXHHGWWOXDYFAP-CQSZACIVSA-N 298.411 3.506 30 20 CHED Cc1ccc(COC(=O)c2ccc(F)c(C#N)c2)cc1F 790956772 QLEJFJWZGYMLLY-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccccc2[N+](=O)[O-])CC1 790179107 SBBMSYDGXNPLOL-UHFFFAOYSA-N 289.379 3.687 30 20 CHED CC[C@@H](CNc1cc(C)cc(C#N)c1)CC(F)F 594704601 MGHPPTMVSQKSKT-LLVKDONJSA-N 252.308 3.960 30 20 CHED CC[C@@H](C)CON=C(C)Cc1ccc(OC)c(OC)c1 793164540 WGTBSABIOAYPCP-GFCCVEGCSA-N 279.380 3.685 30 20 CHED C=CC[C@H]1CCCN(Cc2csc([C@@H](C)OC)n2)C1 661381152 WMPMEGPJNDSONT-OLZOCXBDSA-N 280.437 3.639 30 20 CHED Cc1cc(C)c(CNc2cc(C)c(C#N)cn2)c(C)c1 1306949846 OOBMXXUODHEXTI-UHFFFAOYSA-N 265.360 3.799 30 20 CHED Cc1ccc(C[C@H](C)N(C)c2cc(C)c(C#N)cn2)cc1 1162568099 NXJJEMVRCBPCGP-HNNXBMFYSA-N 279.387 3.638 30 20 CHED Cc1nc(C#N)cc(NCc2ccc(C3CCC3)cc2)n1 1163047111 HMIRPXNKEACOFW-UHFFFAOYSA-N 278.359 3.536 30 20 CHED CC(C)(C)ON=Cc1csc(COc2ccccc2)n1 1319583480 OGHOUMJILYKOIQ-UHFFFAOYSA-N 290.388 3.871 30 20 CHED C[C@@H]1CCC[C@H](c2nnc(COc3ccccc3C#N)o2)C1 1322139793 YQRBRAYTDWVYAI-OLZOCXBDSA-N 297.358 3.814 30 20 CHED N#Cc1ccc2c(c1)CCCN2CCc1ccccc1F 1170661108 IQQCHHSKBAGOCP-UHFFFAOYSA-N 280.346 3.693 30 20 CHED Cc1ccc(C#N)c(NCCCCOc2ccccc2)n1 1322271190 SGLZUBXMAKDQSV-UHFFFAOYSA-N 281.359 3.533 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2ccccc2OC)CCC1 1321642556 ONNBMRUUHVZDHT-CQSZACIVSA-N 287.403 3.588 30 20 CHED Cc1ccc(NC(=O)NCC2(C#N)CC2)c(Cl)c1Cl 1321584367 WLCDXHDIAQIWDT-UHFFFAOYSA-N 298.173 3.727 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cc(C)oc2C)C1 1330621688 KSQWCIBLGFRTPF-DZGCQCFKSA-N 290.407 3.955 30 20 CHED CSCC1(Cc2noc(-c3cccc(C#N)c3C)n2)CC1 1330098702 QUFYUJRWRWPRFM-UHFFFAOYSA-N 299.399 3.602 30 20 CHED C#CCC(C)(C)COC(=O)c1oc(C2CC2)nc1C(F)F 1347859641 YKMQVYKOWLDGKI-UHFFFAOYSA-N 297.301 3.696 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 1340562054 FJENBLCHRTZVPO-GUYCJALGSA-N 274.408 3.545 30 20 CHED C=C(C)Cn1c(N2C[C@H](C)C[C@@H]2CC)nnc1C(C)(F)F 1341808538 OLWCHMYDCPHEKJ-NEPJUHHUSA-N 298.381 3.591 30 20 CHED Cc1ccc(C)c(C2CCN(C(=O)C(C)(C)C#N)CC2)c1 1342710005 VYPMRKYKCBDZKK-UHFFFAOYSA-N 284.403 3.559 30 20 CHED C[C@H]1CCC[C@H](OCc2nnc(-c3ccc(C#N)cc3)o2)C1 1341531863 LVOBHIKKDOGANY-WFASDCNBSA-N 297.358 3.704 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@]1(C)CCCC[C@@H]1C 1436607725 PDVCOWPKISLPOK-YVEFUNNKSA-N 270.376 3.565 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 1358032466 DXYCUBSDKRSOJZ-UHFFFAOYSA-N 285.347 3.805 30 20 CHED N#CCc1cccc(NC(=O)C/C=C/c2ccc(F)cc2)c1 1436285569 UVECYWYIAINXCO-NSCUHMNNSA-N 294.329 3.934 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1518678159 MPZLEVSQZAZGON-WMZOPIPTSA-N 298.430 3.969 30 20 CHED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccoc1 1518101883 IXVKKBPZIOEJHY-LBPRGKRZSA-N 261.321 3.748 30 20 CHED CC[C@@H](CN(CC)c1ccc(C#N)cn1)c1ccccc1 1458331709 QBUWRMPFKCGNOL-INIZCTEOSA-N 279.387 3.973 30 20 CHED Cc1ccccc1[C@@H]1CCN(CCc2ccc(C#N)cc2)C1 1459394746 DZHJIANEFFBGIN-LJQANCHMSA-N 290.410 3.899 30 20 CHED Cc1ccc(NCc2cccc(C#N)c2F)cc1F 223727199 QELRTCBHFQNFNN-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccnc(C#N)c2)C1 1458227202 MMVIMMWTPRQLDA-PXAZEXFGSA-N 281.334 3.680 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc3scnc3c2)c1 1535375822 STTYKEKPNVSXME-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)C1(C#N)CCCCC1 1463340889 LQNDDHWPRSEBSY-UHFFFAOYSA-N 282.387 3.612 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)c2ccccc2O1 1473280669 DHJNSGWRFNDQDK-UHFFFAOYSA-N 278.355 3.736 30 20 CHED C=C(Cl)CSc1nc2ncc(Cl)cc2o1 1615005334 AORKUWWRLKHLTA-UHFFFAOYSA-N 261.133 3.721 30 20 CHED CC[C@@H]1CCC[C@H]1CNc1ncc(C#N)cc1Cl 1559193020 PEUHQKFZZJQINW-NEPJUHHUSA-N 263.772 3.845 30 20 CHED Cc1cc(CN2CC[C@@H]2c2ccc(F)cc2)ccc1C#N 1621551572 LUMCIYLLWLIZNZ-GOSISDBHSA-N 280.346 3.953 30 20 CHED N#Cc1cc(F)ccc1NC(=O)CC1CCCCCC1 122102794 XKIPOQCDDGXILZ-UHFFFAOYSA-N 274.339 3.996 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccsc1C#N 1584834948 YDIVAXZMHRGXPS-NEPJUHHUSA-N 276.405 3.564 30 20 CHED C=CCC(C)(C)CNCc1ccnc2c(C(=O)O)cccc12 1588736505 LYWIHMRZPXUEIN-UHFFFAOYSA-N 298.386 3.625 30 20 CHED C=CC[C@@H](N[C@H](C)c1cc(OC)c2ccccc2c1)C(=O)O 1588746878 WIXVVDHUQKUXNO-MLGOLLRUSA-N 299.370 3.528 30 20 CHED C=C(Cl)CN1CCC[C@H](Cn2cnc3ccccc32)C1 1654183350 HZNGLLUTRSRIAQ-AWEZNQCLSA-N 289.810 3.501 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)c1cc(C)c(C)o1 1776075314 ZLVXFSYYRYBZIM-UHFFFAOYSA-N 290.294 3.570 30 20 CHED CCCCCCC[C@H](C)CNc1nc(C(=O)O)co1 1776782450 ZVZHSFPTJAHIQW-NSHDSACASA-N 268.357 3.781 30 20 CHED C[C@H]1CC[C@@H](C)CC1=NNc1ccc(F)c(C(=O)O)c1 1776063568 XHDXBUOMSJXROY-ZJUUUORDSA-N 278.327 3.748 30 20 CHED O=C(O)c1ccccc1NN=C1CC[C@@H]1Cc1ccccc1 1776031942 FZZHKXBUYQLSPB-CQSZACIVSA-N 294.354 3.805 30 20 CHED CC(C)(C)C1CC(=NNc2ccc(CC(=O)O)cc2)C1 1776085022 FOXZXAFXFRCYPA-UHFFFAOYSA-N 274.364 3.538 30 20 CHED C[C@H](NCCCc1ccccc1)c1ccc(C#N)cc1 20122708 GXCZTHODMIKPTR-HNNXBMFYSA-N 264.372 3.842 30 20 CHED N#Cc1ccc(CNc2cc(F)c(F)c(F)c2)s1 161124003 ITPRVXDDAZQWCY-UHFFFAOYSA-N 268.263 3.649 30 20 CHED CC(C)Cc1noc(CSCCCC(C)(C)C#N)n1 161445924 FKAPFRJTPULRCD-UHFFFAOYSA-N 281.425 3.831 30 20 CHED COc1cccc(/C=N/[C@@H](CCC#N)c2ccccc2)c1O 158262493 WWCPJMDCULACBQ-UOEVCUDDSA-N 294.354 3.865 30 20 CHED C=CCOc1ccc(OC(=O)C[C@@H](C)c2ccncc2)cc1 160904376 GAMBJBIQPRBLRO-CQSZACIVSA-N 297.354 3.746 30 20 CHED C=CCSCCN[C@H](C)c1ccccc1Cl 165293846 GYGUEQMUIVFONR-LLVKDONJSA-N 255.814 3.910 30 20 CHED CCN(C(=O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 151833695 BOHUNSQLNPQCRJ-UHFFFAOYSA-N 298.773 3.807 30 20 CHED Cc1ccc(NC(=O)N(CCC#N)Cc2ccco2)c(C)c1 156041824 VAXYHDFIRSMQLJ-UHFFFAOYSA-N 297.358 3.844 30 20 CHED C=C(C)COc1cc(/C=C/c2ccncn2)ccc1OC 157342837 CMDKYPGQGNQDPW-GQCTYLIASA-N 282.343 3.611 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(C#N)c1 155904945 LLDSFTMVACQJMR-XJKSGUPXSA-N 270.376 3.599 30 20 CHED CCCn1ccc2cc(NC(=O)N[C@@H](CC)CC#N)ccc21 157384602 FKOSQZDTWRLMRT-AWEZNQCLSA-N 298.390 3.865 30 20 CHED C[C@@H](C1CC1)N(C(=O)c1ccc(C#N)c(Cl)c1)C1CC1 154574025 CVGUZCUODAJDJN-JTQLQIEISA-N 288.778 3.615 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3ccc(O)cc23)cc1 154896583 FQGPCENRTPKGAE-UHFFFAOYSA-N 288.306 3.669 30 20 CHED C=CCC[C@H](NC(=O)NCc1ccn(C)c1)c1ccccc1 159006693 AUZNCXNTJFAQLQ-KRWDZBQOSA-N 297.402 3.532 30 20 CHED CC#CCCCC(=O)Nc1ccc2occ(C)c2c1 185791733 CGBSZMPQMRYXCG-UHFFFAOYSA-N 255.317 3.873 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@@H](c2ccccc2F)C1 339374523 FJMHILQJPGRSDQ-CQSZACIVSA-N 298.336 3.826 30 20 CHED CO[C@@H]1CCOc2c(NCc3ccc(C#N)cc3)cccc21 577618264 NEHFTDFBODQXOS-QGZVFWFLSA-N 294.354 3.640 30 20 CHED CSCCCCCCNc1cc(C#N)cc(C)n1 235025635 CLEVPIJTEMQIGP-UHFFFAOYSA-N 263.410 3.597 30 20 CHED C#Cc1ccc(CNc2cccc3ncccc23)cc1 809634328 YRNRTVFLOZNWHI-UHFFFAOYSA-N 258.324 3.828 30 20 CHED C[C@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H]1C 1148349606 SCAAPOCBLRWRDQ-QWHCGFSZSA-N 271.408 3.876 30 20 CHED N#Cc1ccc(-c2csc(-c3ccccc3N)n2)cc1 44298340 WNARLOCDQZONTL-UHFFFAOYSA-N 277.352 3.931 30 20 CHED Cc1ncc(CN(C)CCCCC(C)(C)C#N)s1 277670457 JTLYKSKYDSDLJI-UHFFFAOYSA-N 265.426 3.603 30 20 CHED N#CCC1CCN(C(=O)c2ccc3sccc3c2)CC1 335858548 XFDNUFFAMBHNJD-UHFFFAOYSA-N 284.384 3.667 30 20 CHED C[C@@H]1CCC[C@H](N(C)c2ncc(C#N)cc2Cl)C1 339138824 XTWIRVNAJAOTAQ-PWSUYJOCSA-N 263.772 3.622 30 20 CHED CC(C)c1nnc(CNc2cc(Cl)ccc2C#N)s1 343886321 SWNXLTLOJGHSHV-UHFFFAOYSA-N 292.795 3.799 30 20 CHED N#Cc1ccc(NCc2ccc(C#N)c(F)c2)c(Cl)c1 359016901 UCRVYJZHCOCQOY-UHFFFAOYSA-N 285.709 3.835 30 20 CHED Cc1ccc(OCc2ccc(CC#N)cc2)cc1C 399138807 SWLIILYIJNZBBE-UHFFFAOYSA-N 251.329 3.949 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1Cl 7334561 DJVRUMZYOZVHCS-UHFFFAOYSA-N 262.740 3.671 30 20 CHED CCCCCCCCCNC(=O)c1cc(C(C)=O)c[nH]1 104984978 XZMSROITCGDPEZ-UHFFFAOYSA-N 278.396 3.698 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)c(F)c1 50266859 PHOQDUFCEUVUGI-INIZCTEOSA-N 280.346 3.687 30 20 CHED C=CCCCC(=O)Nc1ccccc1SCCC#N 175603917 RCLCIRFRNSWFPY-UHFFFAOYSA-N 274.389 3.987 30 20 CHED C=CCCC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 102226509 BPLIPZNDUBLOKW-NSHDSACASA-N 251.757 3.826 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)s1 171981724 RYNINNVINFVILR-AATRIKPKSA-N 260.362 3.730 30 20 CHED C=CC[C@H](C)NC(=O)CCCCOc1cc(C)ccc1C 116853211 SHGZQHAQJUSAHS-INIZCTEOSA-N 289.419 3.933 30 20 CHED Cc1csc(CNc2ccc(C#N)cc2Cl)n1 62791006 LTDYXRGNXCNIOI-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CC)c1ccccc1OCC 172065874 NTQHAWFDMUGANE-HIFRSBDPSA-N 290.407 3.800 30 20 CHED CC(C)Oc1ccc(CNCc2ccc(C#N)s2)cc1 176946176 FFSYVZPHIQAEGS-UHFFFAOYSA-N 286.400 3.697 30 20 CHED N#Cc1ccc(Oc2ccc(Cl)c(C#N)n2)c(Cl)c1 301540003 RTUANOQJVVMYGE-UHFFFAOYSA-N 290.109 3.924 30 20 CHED Cc1c(CNc2ccc(C#N)nc2)oc2ccc(F)cc12 301555610 ZQJHIQIEXYJQBC-UHFFFAOYSA-N 281.290 3.759 30 20 CHED CC[C@H](OC1CCCC1)C(=O)Nc1cc(C#N)ccc1C 112803039 GBJVLISFSJDQSW-INIZCTEOSA-N 286.375 3.543 30 20 CHED CO[C@@H](CNc1c(F)cc(C#N)cc1F)c1ccccc1 301375940 RKUSBSJUCLXQNL-HNNXBMFYSA-N 288.297 3.636 30 20 CHED C#CCCOc1ccc(CNCc2ccccc2F)cc1 113313092 XMUKRQMCSIZNSI-UHFFFAOYSA-N 283.346 3.518 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 69334589 IIQCDIQIQDOQML-WMLDXEAASA-N 287.403 3.544 30 20 CHED CC(C)CS[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 68935198 LSBDENLSLAKGHT-SNVBAGLBSA-N 296.823 3.928 30 20 CHED C[C@H](C(=O)Nc1ccc(F)cc1C#N)c1cccs1 177573531 VAZVFZPHMPBUSO-VIFPVBQESA-N 274.320 3.501 30 20 CHED CCc1nc(CCNc2cc(Cl)ccc2C#N)cs1 301260046 FSWARQOJYLVSRP-UHFFFAOYSA-N 291.807 3.885 30 20 CHED C=CCC[C@@H](NCc1ccccc1COC)C1CC1 119983520 KPLBTSHCKNWNCB-QGZVFWFLSA-N 259.393 3.667 30 20 CHED N#Cc1cccc(NCCCc2ccc(Cl)cc2)n1 301253315 CFCVWVTWIHFUEX-UHFFFAOYSA-N 271.751 3.651 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C(C2CC2)C2CC2)cc1 178791607 GZYSYUWVXOAGND-UHFFFAOYSA-N 282.387 3.862 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@@H](C)CC#N 115350607 ZRRRWJWRICDCBK-DZGCQCFKSA-N 264.413 3.647 30 20 CHED Cc1ccc([C@@H](CNc2ccc(F)cc2C#N)N(C)C)cc1 301356613 KRBFOAMJFRMCBF-GOSISDBHSA-N 297.377 3.721 30 20 CHED C#CCCCNC(=O)c1ccccc1Nc1ccccc1 172948855 NFKDEVZWKKEYFB-UHFFFAOYSA-N 278.355 3.573 30 20 CHED CCC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CCCC1 179550191 LGHQVYKUJRIBKX-AWEZNQCLSA-N 290.794 3.991 30 20 CHED N#CCCCCNCc1ccc(F)c(C(F)(F)F)c1 179084870 GZGYHHWDBDBHFP-UHFFFAOYSA-N 274.261 3.628 30 20 CHED Cc1c(Cl)cccc1NC(=O)C1(C#N)CC(C)C1 125716578 USDGUHBDGDKWPH-UHFFFAOYSA-N 262.740 3.527 30 20 CHED C=C(Br)CN1CCC2(CCCCC2)CC1 307101087 HMGDBSAEBGOFCL-UHFFFAOYSA-N 272.230 3.941 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CC[C@@H](C)C1 126171003 DFRUVAGGIQKLLA-CVEARBPZSA-N 296.414 3.899 30 20 CHED C[C@@H](NC(=O)CCC1CCCC1)c1ccc(C#N)cc1 31436298 SWWMJGXCDIEEBK-CYBMUJFWSA-N 270.376 3.706 30 20 CHED C=C(C)CN(C)C(=O)c1c(CC)oc2ccccc12 180401903 ZRIWKUKNKJEMBM-UHFFFAOYSA-N 257.333 3.643 30 20 CHED CC(C)C[C@@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301811984 XXWUNNWUURCVNM-LLVKDONJSA-N 298.346 3.861 30 20 CHED COc1cccc(CCCN[C@@H](C)c2cccc(C#N)c2)c1 181977841 OGPNRKOJLQYWRM-HNNXBMFYSA-N 294.398 3.850 30 20 CHED Cc1cnccc1C/N=C/c1c(O)ccc2ccccc12 189354876 ITDDNMGRSISTGT-UDWIEESQSA-N 276.339 3.868 30 20 CHED CO[C@@H](C/N=C/c1ccccc1O)c1ccccc1Cl 121553191 YSZJUXNCBUUVNR-HKJBKDEOSA-N 289.762 3.852 30 20 CHED C=CCN1CCC(N[C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 123194152 HKUJHSGIFIELTH-RTBURBONSA-N 298.474 3.809 30 20 CHED Cc1cc(C)c(CC(=O)N(CC#N)c2ccccc2)c(C)c1 181513142 XFOXGUKOFSCYHO-UHFFFAOYSA-N 292.382 3.711 30 20 CHED C=CCN(C)C(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 413758969 PGOMOMKHLGORRW-BHYGNILZSA-N 286.419 3.786 30 20 CHED CCN(Cc1cccs1)c1ccc(C#N)cc1[N+](=O)[O-] 30769777 XEFYHNLBCSREMF-UHFFFAOYSA-N 287.344 3.554 30 20 CHED CC[C@@H]1CC[C@H](C)N1Cc1cn2ccccc2c1C#N 357525662 FIXKRTPDRPEDQI-DZGCQCFKSA-N 267.376 3.574 30 20 CHED C=CCn1c(C)nn(CN(CCCC)[C@H](C)CC)c1=S 123698410 HGIOCVJJPSCABX-CYBMUJFWSA-N 296.484 3.767 30 20 CHED C[C@@H](NC[C@@H](C)N(C)c1ccccc1)c1ccc(C#N)cc1 181503475 LVUMAUJVBPKFGW-HZPDHXFCSA-N 293.414 3.734 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ccc(F)cc1 182636604 SCAFXWUAXLXECX-ZDUSSCGKSA-N 263.356 3.619 30 20 CHED C=CCN(Cc1ccccc1)Cc1c(F)ccc(O)c1F 507374539 YPLUDFSGZMBATC-UHFFFAOYSA-N 289.325 3.859 30 20 CHED C#Cc1cccc(NC(=O)Nc2cc(C)ccc2C)c1 186541407 UDUIIUQSDSMCAK-UHFFFAOYSA-N 264.328 3.929 30 20 CHED O=C1/C(=C/c2ccsc2)COc2c(F)cccc21 120864662 LBTOCGDYGXCDGS-UXBLZVDNSA-N 260.289 3.546 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 417333510 QHQGWVVXSSYGTH-SVZOTFJBSA-N 291.460 3.811 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CCCSC2)c1 126332177 YBSKBPZOISQGGI-SNVBAGLBSA-N 286.322 3.885 30 20 CHED C=C(C)CN1CCC(NC2CC(c3ccccc3)C2)CC1 127420108 RUEAEAWVRKKVQY-UHFFFAOYSA-N 284.447 3.563 30 20 CHED C=CCN(CC=C)Cc1cn2cc(Cl)cc(Cl)c2n1 506168325 JTASJTAVRUUKCT-UHFFFAOYSA-N 296.201 3.815 30 20 CHED CCCOc1ccc(NC(=O)N(CC)CCC#N)c(C)c1 78502497 HXLVJIGSTHEGQS-UHFFFAOYSA-N 289.379 3.551 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])o1 76851909 UNIRRIBTTWVMQN-GXFFZTMASA-N 297.314 3.795 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc(C#N)s1 181117798 IBGXTCCGBWONCK-NSHDSACASA-N 283.356 3.523 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cc(C)ccc1OC(F)F 188505504 YSGXEUCABWGFGS-MRXNPFEDSA-N 297.345 3.815 30 20 CHED C=C(Cl)CSc1nnc(-c2sccc2C)o1 78546565 ZPOQJTKXPWLJBG-UHFFFAOYSA-N 272.782 3.951 30 20 CHED C=CCC1(NC(=O)[C@H](OC)c2ccccc2)CCCCC1 413842706 IGXPNOPAYATGBI-MRXNPFEDSA-N 287.403 3.769 30 20 CHED C=CC[C@@H](C(=O)NCc1cccc(C#N)c1)c1ccccc1 186499522 JNAUNPXBADMESK-GOSISDBHSA-N 290.366 3.534 30 20 CHED Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)sc1C 32614916 TYHDNPWRYGBBAI-UHFFFAOYSA-N 284.384 3.509 30 20 CHED N#CC1(CNCc2cc(Cl)cc3cccnc23)CCC1 418143588 QQKLXOKDAVFDNP-UHFFFAOYSA-N 285.778 3.672 30 20 CHED N#Cc1cccc(SCc2ccncc2Cl)c1 184552202 NBJXARKPPAYJFT-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2Br)[C@@H]1C 181134524 HLIIYGXXAQCCEV-GHMZBOCLSA-N 293.208 3.551 30 20 CHED COc1cc(C#N)ccc1OCc1cccc(OC(C)C)c1 49769173 URFGNHYLYPSGGR-UHFFFAOYSA-N 297.354 3.933 30 20 CHED COc1cccc(/C=N/C[C@H](C)Oc2ccccc2C)c1O 132401729 XQCSKYJPBCRFOG-BXUJETTOSA-N 299.370 3.596 30 20 CHED CC1(C)CCCN(CCC2(C#N)CCCCC2)[C@H]1C#N 411633314 ITLGVPNYBUGWSP-HNNXBMFYSA-N 273.424 3.865 30 20 CHED C=CCN(CCC#N)Cc1ccc(CN2CCCCC2)cc1 411763349 VIKOUDFCVOLKDE-UHFFFAOYSA-N 297.446 3.574 30 20 CHED CCc1ccnc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 181723268 YGECYLFCMVNXBM-UHFFFAOYSA-N 293.370 3.697 30 20 CHED C=C(C)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 133977276 CHMLITSZQIQXEK-UHFFFAOYSA-N 261.199 3.569 30 20 CHED N#CC1(/N=C(/O)CN2CCCC[C@@H]2c2ccccc2)CCC1 329205399 DJOJXELZUSVULU-MRXNPFEDSA-N 297.402 3.616 30 20 CHED CCC[C@@H](C)N1CC=C(c2ccc(C#N)cc2)CC1 500993293 QCRBMUVALSWOFZ-CQSZACIVSA-N 254.377 3.836 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc(Cl)c(F)c1 459237460 RWFWAVXCRMJDCT-UHFFFAOYSA-N 283.734 3.540 30 20 CHED N#Cc1ccc(OC[C@@H]2C[C@H]3CC[C@H]2O3)c2ccccc12 419054655 MJTSYHRJECRTPO-JJRVBVJISA-N 279.339 3.658 30 20 CHED C=C[C@H](CC(=O)N(C)CC1CCC1)c1ccccc1 134248313 SXSLPFADSBZUMS-OAHLLOKOSA-N 257.377 3.605 30 20 CHED OC(=Nc1nnc2ccccn12)[C@@H]1CCC[C@H]2CCCC[C@@H]21 328992180 IROFDTUBYMKKIT-HZSPNIEDSA-N 298.390 3.924 30 20 CHED Cc1cc(F)ccc1CN(C)Cc1ccc(C#N)cc1 131185219 FAPRGQWBWZNNTL-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CC(C)[C@H]1CC[C@H](/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)CC1 328731044 IFWJDVUUOYNIGM-UMVBOHGHSA-N 289.423 3.686 30 20 CHED C=CCCCNc1cccc(OC)c1Br 380162275 BQLJHJRYZIELDC-UHFFFAOYSA-N 270.170 3.836 30 20 CHED C=C(C)COCCN[C@H](C)c1ccccc1SC 194930985 NCOHCFNGHRACIN-CYBMUJFWSA-N 265.422 3.652 30 20 CHED C=CCCCCCCNCc1csc([N+](=O)[O-])c1 380699331 WSJFVAFIFONYQK-UHFFFAOYSA-N 268.382 3.882 30 20 CHED CN(CCC(F)(F)F)Cc1ccccc1C(C)(C)C#N 135141521 PYENIZRQNYZQST-UHFFFAOYSA-N 284.325 3.872 30 20 CHED N#CCC[C@H](NCc1ccc(C#N)s1)c1ccccc1 130494323 OTDQBWNXHYWUHK-INIZCTEOSA-N 281.384 3.754 30 20 CHED C=CCN(CCC#N)[C@H](CC)c1ccc(F)cc1F 428858882 GEOAUISIPFJLQN-OAHLLOKOSA-N 264.319 3.818 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C#N)n1 515299392 XARNCKQSUHYTKD-UHFFFAOYSA-N 298.390 3.553 30 20 CHED C=CCC[C@@H](N[C@@H]1CCCc2cc(N)ccc21)C1CC1 423364991 ZOHPEAFKJCJERN-QZTJIDSGSA-N 270.420 3.981 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccccc1C#N 133799670 MOAOGLIJBNRXLN-UHFFFAOYSA-N 276.339 3.938 30 20 CHED C#CCCCC(=O)Nc1ccccc1CC(F)(F)F 192353703 WNNYTKPGBZZZEI-UHFFFAOYSA-N 269.266 3.533 30 20 CHED C=C(CNC(=O)N1CC[C@@H](C)C2(CCC2)C1)c1ccccc1 512681768 QCQVBNCSPFOUMF-MRXNPFEDSA-N 298.430 3.922 30 20 CHED C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1ccc(C#N)cc1 192353532 ZMOXDZQIZLGDQQ-ACJLOTCBSA-N 292.382 3.992 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)c2cc(C#N)cs2)cc1 84169630 YXBRZDWYNAALEC-OAHLLOKOSA-N 296.395 3.906 30 20 CHED C/C=C/c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 336285946 RJDBPFLOPYOWFW-GBSFPIBMSA-N 269.348 3.533 30 20 CHED CC[C@H](C)[C@](C)(O)C/N=C(/O)c1csc(C(C)(C)C)n1 331258942 GPFDDTFUTQXVBT-ZUZCIYMTSA-N 298.452 3.542 30 20 CHED OC(C[C@@H]1C=CCCC1)=Nc1cccc(N2CCN=C2O)c1 330202899 ZYGZEPQNHXKGSX-CYBMUJFWSA-N 299.374 3.755 30 20 CHED COc1cc(C(=O)/C=C\c2ccccc2C)ccc1O 97993510 IFTVVEZSBGYXQZ-CLFYSBASSA-N 268.312 3.605 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1CCCSCC#N 514662665 KXRAWCDYLIGBAR-ZIAGYGMSSA-N 268.470 3.780 30 20 CHED CC1(C)CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 334782042 SMNVTQSUVQVQKG-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N2CCc3c(C#N)cccc32)C1 421652756 UNAIHJRJELRQBX-UONOGXRCSA-N 282.387 3.664 30 20 CHED CSc1ccsc1C(=O)Nc1cccc(C#N)c1 334213034 AYELNXQGQSDWAV-UHFFFAOYSA-N 274.370 3.594 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc(C(F)F)cc1 336142623 QDZMNMLUCLZCGV-UHFFFAOYSA-N 290.244 3.887 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C=C\c1ccccc1 96861364 MMOKOIXYVGOQII-KHPPLWFESA-N 283.396 3.976 30 20 CHED C=C[C@H]1CCCCN1c1cncc(-c2cccs2)n1 338710602 XDLLOGULQZUYMP-LBPRGKRZSA-N 271.389 3.750 30 20 CHED CC1(C#N)CCC(NCc2cc3ccccc3[nH]2)CC1 336221089 BTVIFDSYFCOKAK-UHFFFAOYSA-N 267.376 3.730 30 20 CHED Cc1cc(Cl)cc(C(=O)N(C2CC2)C2(C#N)CCC2)c1 335311245 GGTKPGQFZBTRRU-UHFFFAOYSA-N 288.778 3.699 30 20 CHED Cc1cc(F)cc2c1CN(Cc1cc(C#N)cs1)CC2 337407011 OBSIAKQJQHNCKQ-UHFFFAOYSA-N 286.375 3.626 30 20 CHED C=CCOCCCC(=O)N1CC2(CCCC2)c2ccccc21 434056352 FWVJOQLINQXIAC-UHFFFAOYSA-N 299.414 3.828 30 20 CHED N#CC1(CN2CCC[C@@H]2c2cccc(Cl)c2)CC1 343161371 NBLUUYWPSJOWLN-CQSZACIVSA-N 260.768 3.781 30 20 CHED C=CCCCCCN(C)C(=O)c1cccnc1OC(C)C 341058983 WLXSYFVTBXKDEC-UHFFFAOYSA-N 290.407 3.687 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H]1CCN(Cc2ccccc2)C1 249114812 RXFSAGIOLFGOGX-JENIJYKNSA-N 286.463 3.699 30 20 CHED Cc1ccnc(NC[C@@H]2SCCc3ccccc32)c1C#N 343469158 BLJNOKWZRPJGCC-INIZCTEOSA-N 295.411 3.704 30 20 CHED C=CCN(CCC(F)(F)F)Cc1ccc(OC)cc1 524907614 XITHFRIAOQLLHZ-UHFFFAOYSA-N 273.298 3.636 30 20 CHED N#Cc1cnccc1/C=C/c1cnc(-c2ccco2)s1 349115301 XIEZIXOUXLTIQT-ONEGZZNKSA-N 279.324 3.840 30 20 CHED CS[C@H](CNc1ncc(C#N)cc1Cl)C(C)(C)C 343530926 POZLCXXNKNCMSP-LLVKDONJSA-N 283.828 3.796 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccsc1 255758685 ZVMKVTKVGXSTMR-PLNGDYQASA-N 259.286 3.552 30 20 CHED C[C@H]1CC(F)(F)CCN1CCC1(C#N)CCCCC1 528775787 ZHKDLNDYGZAUCJ-ZDUSSCGKSA-N 270.367 3.970 30 20 CHED CCC(C)(C)CC(=O)N(CC#N)c1ccc(F)cc1C 602385557 CULMZEMUGGCKNP-UHFFFAOYSA-N 276.355 3.817 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(C(F)(F)F)c1 528028785 HTZZNENSJIQWIV-SNVBAGLBSA-N 298.308 3.636 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccccc2O)cc1 255426983 KHQRQSDKEJJNGW-BIRHUZIMSA-N 293.322 3.579 30 20 CHED CC(C)COc1cccc(CNc2cc(C#N)ccn2)c1 341849634 RBNDBODCEGYCFD-UHFFFAOYSA-N 281.359 3.600 30 20 CHED Cc1nc(N2CC=C(c3ccc(C#N)cc3)CC2)sc1C 348105632 LSYFVCFFDDHOSN-UHFFFAOYSA-N 295.411 3.925 30 20 CHED C[C@H](NCCCC#N)c1ccc(F)c2ccccc12 340361226 NBFTWIPKJATESJ-LBPRGKRZSA-N 256.324 3.933 30 20 CHED CCC[C@@H](NCCc1cccc(C#N)c1)c1cccnc1 343587188 CUGDVWNMEMRBII-GOSISDBHSA-N 279.387 3.627 30 20 CHED Cc1cc(CNC[C@@H]2CSc3ccccc32)ccc1C#N 449364652 NWVJOEHAJJBOKB-MRXNPFEDSA-N 294.423 3.846 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1Cc2ccccc21 607827895 YLJAWIURWWQOSW-SFHVURJKSA-N 283.415 3.921 30 20 CHED CCc1ccc([C@H](C)C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1 609735691 PLGBNLIAPMEWKT-ZRGWGRIASA-N 298.430 3.941 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Cl)c(C#N)c1 538684813 NNFYTNUGAQIGHR-IAQYHMDHSA-N 290.794 3.862 30 20 CHED N#CCc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 602613719 PGRVGOSARLZBCP-ULQDDVLXSA-N 282.387 3.512 30 20 CHED C=C(C)CN(C)Cc1c(C)nn(Cc2ccccc2)c1C 353161440 DHUMOMYQTJAGNY-UHFFFAOYSA-N 283.419 3.556 30 20 CHED N#Cc1ccc(NCCCCc2ccc(F)c(F)c2)cn1 355728632 DNAMLSSCVSMYDA-UHFFFAOYSA-N 287.313 3.666 30 20 CHED CN(CC#Cc1cccc(Cl)c1)Cc1cccs1 532606123 BHHRLQQWXHYSCV-UHFFFAOYSA-N 275.804 3.885 30 20 CHED CC[C@@H](C)n1ncc(NCc2ccc(C#N)cc2F)c1C 359806040 RXHLRPGZENIWCP-LLVKDONJSA-N 286.354 3.785 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccccc1C 539390024 JCBPBDPTSJEKKK-OAHLLOKOSA-N 274.408 3.881 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1ccc(SC(F)F)cc1 264177077 XQYCGKNHJIPCCJ-VIFPVBQESA-N 299.346 3.625 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)c1ccc(Cl)cc1Cl 448577886 DUAFAUQLUPMMHH-FZNYLWTLSA-N 297.185 3.720 30 20 CHED Cn1c([C@@H]2CCCCN2CCCCC#N)nc2ccccc21 533387665 KMMYRFXNJQXLMR-KRWDZBQOSA-N 296.418 3.794 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(C#N)ccc2Cl)C1 353321592 RHCGJLCJIAXMMQ-VXGBXAGGSA-N 290.794 3.862 30 20 CHED C=CCCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 617616414 WENBDIIQLAFSGJ-OLZOCXBDSA-N 284.186 3.789 30 20 CHED CN(C(=O)CCCSC(C)(C)C)c1ccc(C#N)cc1 269911894 BJRAPXCULFUUMZ-UHFFFAOYSA-N 290.432 3.833 30 20 CHED C=CC[C@H](C)N[C@H]1CCc2cc(F)c(F)c(F)c21 449148384 KDYOKXCYSBKJGK-KWQFWETISA-N 255.283 3.645 30 20 CHED N#Cc1ccc(CCc2nc(-c3ccc(Cl)o3)no2)cc1 445601266 PXMDBASNCOASGF-UHFFFAOYSA-N 299.717 3.640 30 20 CHED C=CC[C@H]1N(Cc2nnc(C)n2CCC)CCCC1(C)C 444777496 FUHPDSYFHFXHBG-OAHLLOKOSA-N 290.455 3.563 30 20 CHED C=CCC[C@H](NC(=O)N1CCC1(C)C)c1ccccc1 532942507 HUZNZOGIZRIDQM-HNNXBMFYSA-N 272.392 3.888 30 20 CHED C=CC(C)(C)C(=O)NCCc1ccc(Cl)cc1Cl 448564223 IIWOSLFOYTXWGB-UHFFFAOYSA-N 286.202 3.864 30 20 CHED C[C@H](NC1CCN(CC#N)CC1)c1cc2ccccc2s1 615085910 OPBJTVQZMYMIIO-ZDUSSCGKSA-N 299.443 3.540 30 20 CHED CC(C)Sc1ccc(CN2CCC(C#N)CC2)cc1 358039147 TVHOWNPRASUING-UHFFFAOYSA-N 274.433 3.923 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2csc(Cl)c2)C1 617779644 FUJOZWZSMATPPA-SNVBAGLBSA-N 269.797 3.830 30 20 CHED C=CCCc1ccccc1NC(=O)Cc1ccc(CC)cn1 614479785 PAKGACOJEJMQGI-UHFFFAOYSA-N 294.398 3.944 30 20 CHED CCC(CC)[C@H]1C[C@@H](Nc2nccc(C)c2C#N)CCO1 612092295 CSXWSXQMVWVGGJ-GOEBONIOSA-N 287.407 3.657 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1CC1 455282618 ITEYESJRIBUWBY-AWEZNQCLSA-N 299.418 3.524 30 20 CHED C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(C)(F)F 453299590 UWROSOZQMPQFFH-IAQYHMDHSA-N 278.346 3.959 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](c1ccccc1)C1CC1)OCC 270014292 GSJKQLXHECFDDD-AEFFLSMTSA-N 287.403 3.625 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2cc(OC)ccc2c1 451605467 KODSZNARCMPRRG-ZNOIYHFQSA-N 297.398 3.843 30 20 CHED C=C[C@H](CC(=O)Nc1cnc2n1CCCC2)c1ccccc1 452335871 SCXRQHXKDIOTJQ-CQSZACIVSA-N 295.386 3.518 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCC1CC1 360657379 OEBOPTJJLFZKHO-QGZVFWFLSA-N 254.377 3.715 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)cc1F)C1CC1 271369955 MSRMDLCSYVXUNX-UHFFFAOYSA-N 268.719 3.661 30 20 CHED Cc1nnc(N2CC[C@H](C)C3(CCCCC3)C2)c(C#N)c1C 546613504 ZAHLDLDXKPAVNK-ZDUSSCGKSA-N 298.434 3.762 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1SC(C)C 450167784 GUUMSJJZHXOYLM-UHFFFAOYSA-N 299.399 3.948 30 20 CHED C=CCSc1ccccc1C(=O)N1CCCCCC1 362389483 OUKHKIQDJSMGQC-UHFFFAOYSA-N 275.417 3.981 30 20 CHED N#CCCCC(=O)N[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 360543610 HSGDHCZOAJGDNQ-GWCFXTLKSA-N 297.185 3.659 30 20 CHED CC(C)(C#N)c1ccccc1CN[C@H]1CCC[C@@H]2C[C@H]12 459782189 OIZFGMXXKRYYER-KMFMINBZSA-N 268.404 3.766 30 20 CHED C=CCCC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 365870464 MUDZSGQDUVIBOL-GDBMZVCRSA-N 257.377 3.666 30 20 CHED CN(CCc1ccccc1)C(=O)c1ccc(Cl)c(C#N)c1 543621851 FUZRJCSKAXTCCQ-UHFFFAOYSA-N 298.773 3.526 30 20 CHED C[C@@H](Cc1c(Cl)cccc1Cl)NCCCC#N 273249055 KTVQHONONWOWTK-JTQLQIEISA-N 271.191 3.818 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cccc(CO)c1)c1ccccc1 271874345 HADOGIXJZNBSJF-HNAYVOBHSA-N 279.383 3.594 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)CCc1ccc(C#N)cc1 456304969 WUUZAUFQIAFWIJ-HKUYNNGSSA-N 298.430 3.630 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(C#N)c(C)c1)C2 361109845 FTKBULBMFODNQD-UHFFFAOYSA-N 262.356 3.691 30 20 CHED C=C(CC)CNC(=O)C1(c2cccc(OC)c2)CCCC1 456824234 DNTJINOVRAKVSB-UHFFFAOYSA-N 287.403 3.589 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2cncs2)s1 276335532 HNBSWBSRFPNVRL-SNAWJCMRSA-N 278.402 3.793 30 20 CHED N#C[C@H]1CC[C@H](Sc2ccc(Br)cn2)C1 278526390 HNRNRYQNSPGTGF-WPRPVWTQSA-N 283.194 3.628 30 20 CHED C=CCN1CCC(N[C@@H](CC)c2cc(C)ccc2C)CC1 623889052 BPVGEHQZHOXWDG-IBGZPJMESA-N 286.463 3.995 30 20 CHED CCC[C@H](C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 272330484 WJQZBRQWZDMEDN-AWEZNQCLSA-N 296.418 3.579 30 20 CHED C=CCN(C(=O)c1ccc(F)c(F)c1F)C(C)(C)C 622944109 DZNDVSYOFILTIO-UHFFFAOYSA-N 271.282 3.531 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@H]1CCCC(C)(C)C1 546710664 WGKGCBQFHYJEHX-ZDUSSCGKSA-N 286.375 3.722 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1c[nH]c2cc(F)ccc12 620861130 BYIBHELCXQPHDU-UHFFFAOYSA-N 288.366 3.711 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H]1CC(=O)c1cccs1 271952258 BHWFTTZJDSEIJT-CYBMUJFWSA-N 290.432 3.725 30 20 CHED N#CC1(CCCN2CC[C@@H](c3ccccc3)C2)CCOCC1 281882327 DCXOBHKDUOXYTQ-GOSISDBHSA-N 298.430 3.576 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(C#N)oc1C 281413152 XGPBZDBLDFITSX-ABAIWWIYSA-N 274.364 3.501 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@@H]2CCC[C@@H](C)C2)no1 559943980 CSYPVCPMNAYUGR-ZWNOBZJWSA-N 282.347 3.605 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2ccc(C(C)C)cc2)no1 288973843 MBPXKKSEXKPRQD-KRWDZBQOSA-N 283.375 3.975 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@@H](OC)C1(C)C)c1ccco1 552268544 OZDABFYKPUUHCL-NWANDNLSSA-N 263.381 3.690 30 20 CHED N#CCCCN1CC=C(c2cccc(Cl)c2)CC1 280300961 VTZDEWNCLARJIH-UHFFFAOYSA-N 260.768 3.733 30 20 CHED N#CCCCCN1CCC(c2c(F)cccc2F)CC1 372365106 HXTOQIYUMRQNIW-UHFFFAOYSA-N 278.346 3.838 30 20 CHED CC1=C(c2ccco2)CN(Cc2ccc(C#N)s2)CC1 374994512 LNGABIRQSZJKNO-UHFFFAOYSA-N 284.384 3.892 30 20 CHED CCC[C@@H](N=c1[nH]ccc(C#N)c1Cl)c1ccccc1 552911297 URAJVWLOKLAJPR-CQSZACIVSA-N 285.778 3.982 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(OCCCC)cc1C 465153306 GCRROGFLUDDXQT-ZDUSSCGKSA-N 276.380 3.870 30 20 CHED COc1ccc(C(=O)/C=C/c2ccnn2C(C)C)c(F)c1 280024101 KDQJMKRTGCHFAZ-QPJJXVBHSA-N 288.322 3.508 30 20 CHED C=C(C)[C@H](Cc1nc(-c2sccc2C)no1)OCC 289964985 YNPVRNPIJWSIRJ-NSHDSACASA-N 278.377 3.630 30 20 CHED C#CC[C@H](NC(=O)N1CCC(C)=C(C)C1)c1ccccc1 280713531 HPMNDUNFZIMWJE-KRWDZBQOSA-N 282.387 3.503 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 471668103 INNGYAWLDTTYGC-GFCCVEGCSA-N 281.783 3.580 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cnc(C)s1 299302697 ODJVCYPLQHEJJM-UHFFFAOYSA-N 283.400 3.511 30 20 CHED C=CCNC(=O)c1sc2cccc(C)c2c1Cl 634314502 WCNHQPYPLVOXEW-UHFFFAOYSA-N 265.765 3.779 30 20 CHED c1ccc2c(c1)oc1c(NN=C3CCC[C@H]4C[C@@H]34)ncnc12 800809442 OQXRPMHLZDVQKT-CMPLNLGQSA-N 292.342 3.964 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ncoc1C1CC1 293681079 KICNERUMGNAEHC-UHFFFAOYSA-N 288.391 3.761 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccccc1C 807992132 AVCQGXVVCKHXGG-UHFFFAOYSA-N 280.375 3.889 30 20 CHED Cc1cnccc1CN[C@H](CCC#N)c1ccccc1 295700821 MIYWKKSPPDUTOR-QGZVFWFLSA-N 265.360 3.525 30 20 CHED C=CC(C)(C)C(=O)NCCc1ccccc1C(F)(F)F 294534607 MGHNXTJIDZNAMJ-UHFFFAOYSA-N 285.309 3.576 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1scc(C)c1C#N 563354585 IFUCUWSTVTXUBW-SNVBAGLBSA-N 279.409 3.828 30 20 CHED C=CCOCCCN1CC[C@H](C)Sc2ccccc21 470765066 JPRRKCJVMFHHGH-AWEZNQCLSA-N 277.433 3.970 30 20 CHED N#CCCC1CCN(CCc2cccc(Cl)c2)CC1 563157289 ANCFEGKSAHPAQE-UHFFFAOYSA-N 276.811 3.898 30 20 CHED CC(C)(CCC#N)C/N=C/c1cc(Cl)ccc1O 806550839 GYXKDGXZDLYGEN-RQZCQDPDSA-N 264.756 3.794 30 20 CHED N#Cc1cc2c(nc1SCOC1CCCC1)CCCC2 808019252 WCCYXCNAEIFBNJ-UHFFFAOYSA-N 288.416 3.841 30 20 CHED Cc1csc(NC(=O)C[C@@H](C)CC(C)C)c1C#N 564191143 XMSUNOYIRWPICN-JTQLQIEISA-N 264.394 3.939 30 20 CHED CCCC[C@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 800393859 RAAQCQMZXWCEAC-STQMWFEESA-N 283.375 3.874 30 20 CHED Cc1cn(-c2ccc(C#N)cn2)nc1NC[C@H](C)C(C)(C)C 802649447 JQGCNLKBEAMAAY-ZDUSSCGKSA-N 297.406 3.542 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc3nc(C)n(C)c3c2)n1 645627373 KVOJISMKQIIJHK-UHFFFAOYSA-N 296.374 3.785 30 20 CHED N#Cc1ccc(NC(=O)[C@@]23CCC[C@H]2C3)cc1C(F)(F)F 567342798 AWHSGKJDIJIBGY-IINYFYTJSA-N 294.276 3.706 30 20 CHED CC(C)(C(=O)OCc1ccc(Cl)cc1C#N)C1CC1 805700750 GBLVLCLHEFNZMI-UHFFFAOYSA-N 277.751 3.691 30 20 CHED C=CCCCCS[C@@H](C)C(=O)N1CCC(C)CC1 563611349 VDPGHDCQIBBEDT-AWEZNQCLSA-N 269.454 3.723 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCCC2(F)F)c1 391091653 ZFOSGMDNNVCKBD-NSHDSACASA-N 295.289 3.704 30 20 CHED N#Cc1cccnc1/C=C\c1ccccc1Br 486073560 CWFOTEMRTHQVLC-FPLPWBNLSA-N 285.144 3.886 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1nccc2ccccc12 811697669 DQKHJXIUUBNLJH-FNORWQNLSA-N 278.286 3.665 30 20 CHED CC[C@H](NCc1ccc(C#N)cn1)c1ccc(Cl)s1 562035534 BECYKGZDOJWGJM-LBPRGKRZSA-N 291.807 3.909 30 20 CHED C=CCC[C@@H](NC(=O)C[C@@H](C)n1ccnc1)c1ccccc1 563217590 NTODRFIFULRNRD-NVXWUHKLSA-N 297.402 3.658 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 486206266 VJABRVBMMCMYBB-MUIFIZLQSA-N 293.451 3.689 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cccc(Cl)c1F 562190502 WQQZGMXCGZKIPQ-NSHDSACASA-N 283.774 3.883 30 20 CHED FC(F)(F)Oc1ccccc1C=NOC/C=C/Cl 811670681 YQFWMSCWNCPLMD-HCVKYZOSSA-N 279.645 3.688 30 20 CHED CC(C)(C)c1ccc(CNC(=O)c2ccc(C#N)s2)cc1 486818008 GBSWSIHNAPEWOE-UHFFFAOYSA-N 298.411 3.847 30 20 CHED Cc1ccc(C=NN[C@H](C)COc2ccccc2)c(C)c1 811667054 NSUZCOHBNOQXLE-MRXNPFEDSA-N 282.387 3.694 30 20 CHED Oc1cccc(C=NNc2cc(Cl)ccn2)c1Cl 814898418 PGCSWUSXTFGJSI-UHFFFAOYSA-N 282.130 3.540 30 20 CHED C=CCCOCc1nc(C2(c3cc(C)cc(C)c3)CC2)no1 651428623 UGTVBCNKIVMPBU-UHFFFAOYSA-N 298.386 3.859 30 20 CHED CC#CCCN[C@H](C)CC(=O)Nc1ccccc1C(C)C 482160432 BAUYITZGMPYBIC-OAHLLOKOSA-N 286.419 3.530 30 20 CHED COCCC(Cc1cccc(F)c1)=NOCCC1CC1 814245648 BFXWUQYATRSELB-UHFFFAOYSA-N 279.355 3.577 30 20 CHED C=CCCCC(=O)Nc1cc(F)ccc1NC(C)C 481120314 XRMNMWMLZLLINE-UHFFFAOYSA-N 264.344 3.941 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CCCSC1)c1ccccc1 577835334 WKYOALIKIJIROF-CVEARBPZSA-N 289.444 3.748 30 20 CHED C[C@H](NN=Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 727684608 JYVFTHJGRJUDJY-CABCVRRESA-N 293.370 3.662 30 20 CHED CC(=NOCCOC(C)C)c1ccccc1Cl 812239625 YGKOBEZUPAZOQL-UHFFFAOYSA-N 255.745 3.506 30 20 CHED Cn1c(COc2cc(Cl)cc(C#N)c2)nc2ccccc21 487450365 UCWLCXOJUIOULR-UHFFFAOYSA-N 297.745 3.677 30 20 CHED C=CCCOC(=O)C1(c2ccccc2F)CCCC1 729072539 QLGYBNHXPOGPMQ-UHFFFAOYSA-N 262.324 3.757 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572844206 MRWACEJORHRACO-BZZMCLGOSA-N 296.414 3.747 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(C#N)ccc1F 487408295 BRKSRSHGZSBDBE-ZDUSSCGKSA-N 293.345 3.762 30 20 CHED CC(C)C#CC(=O)N[C@@H](Cc1ccccc1)c1cccs1 828029731 MDTLJIXGXGHYPY-INIZCTEOSA-N 297.423 3.808 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2c(C#N)cccc2[N+](=O)[O-])o1 571076018 IGMBRSRNPWABPH-GWCFXTLKSA-N 297.314 3.795 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(F)c2ccccc2c1 576571189 LPPFWPBKBLAQLY-LLVKDONJSA-N 257.308 3.673 30 20 CHED Cc1ccc(C(=O)OCc2ccc(F)cc2C#N)cc1F 728614992 NBHIRWRUWPTQKR-UHFFFAOYSA-N 287.265 3.502 30 20 CHED COc1cccc(O)c1C=Nc1ccc(F)c(C)c1 728438102 PACAVZKRIFUXSQ-UHFFFAOYSA-N 259.280 3.599 30 20 CHED C=CCC1(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)CCC1 573056508 XVHXPZSVUPJPHI-JSGCOSHPSA-N 273.376 3.766 30 20 CHED N#Cc1ccc(/C=C2/Oc3c(Cl)cccc3C2=O)cc1 729149204 DJYMWQYYIDVLIL-RIYZIHGNSA-N 281.698 3.828 30 20 CHED Cc1ccnc(NCCC2CC(OC(C)(C)C)C2)c1C#N 570627080 FAWVICWVVRMYAR-UHFFFAOYSA-N 287.407 3.657 30 20 CHED CC(C)C#CC(=O)N(C)[C@H](C)c1cccc(Cl)c1 821056026 WSWVGOQMGMOBJF-GFCCVEGCSA-N 263.768 3.519 30 20 CHED C=CCCOC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 729074113 BNBZUIQIUSNXIH-UHFFFAOYSA-N 294.354 3.699 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(C)C[C@@H](C)C#N 727673677 SIOUTVVNEBYVPR-KGLIPLIRSA-N 252.402 3.601 30 20 CHED N#Cc1ccc(NCCCOc2ccccc2F)c(F)c1 725788148 RITVKOFLVQMWSA-UHFFFAOYSA-N 288.297 3.717 30 20 CHED CC(=NNC1CCCC1)c1cccc(Br)c1 727652058 BQPNTFNKOKXDTO-UHFFFAOYSA-N 281.197 3.705 30 20 CHED C/C=C/C=C\C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 491577596 YGEIZVZYAHVASH-VNVVFCSDSA-N 295.169 3.807 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1 588523612 GZCJZLWKUZANLX-OQFOIZHKSA-N 285.318 3.906 30 20 CHED C=CCCCCCN1C[C@H](c2cnn(C)c2)C(C)(C)C1 582554059 AJSIXBASSQARLB-MRXNPFEDSA-N 275.440 3.592 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2nc(CC)cs2)C1 666223284 JDCVMCQVXQYJFN-NSHDSACASA-N 279.409 3.526 30 20 CHED Fc1ccc(F)c(NN=C2CCCC23CCOCC3)c1 901321161 UVTMGVRUHSFCCE-UHFFFAOYSA-N 280.318 3.713 30 20 CHED CCCCN(C(=O)C#Cc1cccs1)[C@H](C)CC 825777226 RYRDIXMYHKKWJG-CYBMUJFWSA-N 263.406 3.527 30 20 CHED N#CC[C@H]1CCCN(Cc2ccccc2N2CCCCC2)C1 826862019 RDAKLVQWWWFITR-QGZVFWFLSA-N 297.446 3.803 30 20 CHED CCO/C=C\C(=O)Nc1ccccc1S[C@@H](C)CC#N 493085336 OYIXATQXNSSJMY-MMRAYRKESA-N 290.388 3.570 30 20 CHED CCc1cnc(SCCCCC2(C#N)CCC2)[nH]1 901509932 VAFOKOGIMOMJTK-UHFFFAOYSA-N 263.410 3.928 30 20 CHED C[C@@H](C[C@@H]1CCOC1)Nc1ccc(C(F)(F)F)cc1C#N 589583368 ADLSPIACWGBHBT-QWRGUYRKSA-N 298.308 3.804 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)CCCCCC#N)c1 588159365 QNXCKHUQVRUSMB-HNNXBMFYSA-N 272.392 3.689 30 20 CHED C=CCC(F)(F)C(=O)N1CC2(CCCC2)[C@H]1C(C)C 837192694 VODMPGXOQOGVNV-GFCCVEGCSA-N 271.351 3.625 30 20 CHED Cc1cc(N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc(C#N)n1 581079264 WKGGSPDEHQFWQX-UKRRQHHQSA-N 295.361 3.783 30 20 CHED Cc1c(C(=O)N[C@@](C)(C#N)C(C)C)oc2c(F)cccc12 585720542 IIIOUDWLSCQMPP-INIZCTEOSA-N 288.322 3.548 30 20 CHED C#CCN(CC)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 737517372 KICSGUZMXITURO-HNNXBMFYSA-N 271.404 3.785 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)OCC(C)(C)CCC#N 835386385 JJIDZMSCMGVQDF-IUODEOHRSA-N 251.370 3.686 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 839604305 BVPOPDWWLCUGIV-GJZGRUSLSA-N 299.418 3.546 30 20 CHED C=CCC[C@H](CCC)N[C@@H](CO)c1ccc(F)cc1F 668746581 QVFYBHFFTQKBRW-BBRMVZONSA-N 283.362 3.723 30 20 CHED CC(=O)CCCCCCC(=O)O[C@H]1CCC[C@@H](C#N)C1 839051071 KEQALBJBWXPVTC-CABCVRRESA-N 279.380 3.542 30 20 CHED CCO[C@@H]1CC(=NNc2cccc([N+](=O)[O-])c2C)C1(C)C 736431194 XVJZHRBUDSPVMZ-CQSZACIVSA-N 291.351 3.506 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1nc(Br)cs1 834882682 CTDIGRFNHGZMFC-QMMMGPOBSA-N 289.242 3.768 30 20 CHED C=CCON=C(C)[C@H](C)c1nc2ccccc2s1 835016719 ZCIXPXZGIMCQDX-JTQLQIEISA-N 260.362 3.978 30 20 CHED C=CCC[C@@H](N[C@@H](C)CCC1CCCCC1)C(=O)O 901693369 SSKQYXUPLSTNSY-DZGCQCFKSA-N 267.413 3.744 30 20 CHED N#Cc1ccc(CCC(=O)O[C@H](C2CCC2)C2CC2)cc1 836044514 WAYLKDYXCBHKGW-GOSISDBHSA-N 283.371 3.613 30 20 CHED C#Cc1ccc(C(=O)N(c2ccccc2)C2CCCC2)cn1 731172141 UFXQLJPQFBQAEE-UHFFFAOYSA-N 290.366 3.652 30 20 CHED N#CC1(COC(=O)c2ccc3cnccc3c2)CCCCC1 835282034 LJCNJMZYLPQTJZ-UHFFFAOYSA-N 294.354 3.866 30 20 CHED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C#CC(C)C 834555895 MOLURKMINPUELW-AWEZNQCLSA-N 297.320 3.764 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1nc2ccccc2s1 836304868 SJJFIYJZOXHDCT-NSHDSACASA-N 289.404 3.623 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1cc(C)oc1C 730148405 TZVKKVCDOINLRA-UHFFFAOYSA-N 279.343 3.703 30 20 CHED CCC#C[C@H](C)Sc1nnc(Cc2cccc(F)c2)o1 677132733 PDAIITQUKQMYEH-NSHDSACASA-N 290.363 3.694 30 20 CHED N#Cc1ccc(OCCSc2cccc(F)c2C#N)cc1 584817323 NFVUSGQCDQUGFT-UHFFFAOYSA-N 298.342 3.740 30 20 CHED C#CCOc1cccc(NC(=O)[C@H](CC)c2ccccc2)c1 730978530 SXARMPSCVQDNQW-GOSISDBHSA-N 293.366 3.831 30 20 CHED CN(Cc1ccccc1-c1ccccc1)C(=O)C#CC1CC1 837385287 VPDJGFLUBIQPRD-UHFFFAOYSA-N 289.378 3.725 30 20 CHED CC(C)(C(=O)O[C@H]1CCC[C@@H](C#N)C1)C1CCCC1 839450249 RKQGWVPBIUIEPB-OCCSQVGLSA-N 263.381 3.828 30 20 CHED COc1cc2ccccc2cc1CN1CCC[C@@](C)(C#N)C1 590648880 IUYKQSSREOCYOF-IBGZPJMESA-N 294.398 3.974 30 20 CHED CCC/C=C\C(=O)Nc1cccc(C#Cc2ccccn2)c1 915193524 FIKXAXQGKNBQHZ-WCIBSUBMSA-N 290.366 3.776 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 916581892 YDYFVNGDZGAMJX-UHFFFAOYSA-N 287.294 3.960 30 20 CHED CCOc1ccc(N=Cc2c(O)cccc2OC)c(C)c1 917557330 GJUBKOZJAKIOJI-UHFFFAOYSA-N 285.343 3.859 30 20 CHED Cc1cc(F)c(CC(=O)OCC(C)(C)CCC#N)cc1F 835386388 JJYBCVSVQRVNSX-UHFFFAOYSA-N 295.329 3.689 30 20 CHED C[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccc(C#N)cc1 592577906 GHIWLXPHUFWVAA-UHOFOFEASA-N 284.403 3.808 30 20 CHED CC[C@H](C#N)N(C)C(=O)C(C)(C)c1ccc2ccccc2c1 594089409 OOZWGJKJLCZNRB-QGZVFWFLSA-N 294.398 3.878 30 20 CHED C/C(=C/C(=O)OCc1ccccc1C#N)c1ccccc1 917977591 MBLQRZWFLYBBSL-KAMYIIQDSA-N 277.323 3.705 30 20 CHED CCOc1ccccc1C(C)=NNc1ncccc1Cl 917549332 MCJVCDVWHBOLTD-UHFFFAOYSA-N 289.766 3.970 30 20 CHED N#CCC1(CN[C@H](c2ccccc2)c2nccs2)CC1 594704651 CGEMNUOEAQKWLV-CQSZACIVSA-N 283.400 3.516 30 20 CHED C=CC1CCN(C(=O)c2ccc(CC(C)C)cc2)CC1 599687579 AIBRVECNIPXZDB-UHFFFAOYSA-N 271.404 3.923 30 20 CHED CC(CCCC(C)C)=NNc1ccc(CC(=O)O)cc1 848415789 PZGJYUDFADTVNN-UHFFFAOYSA-N 276.380 3.928 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)[C@@H](C#N)CC 593731631 FQUCNVIEAJDYAS-ZIAGYGMSSA-N 252.402 3.744 30 20 CHED N#CCC[C@H](/N=C\c1cccc(O)c1O)c1ccccc1 747690616 PESKXFMQLXNHGG-CCRNYGKSSA-N 280.327 3.562 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 593479883 GYOAKHVFSJFWAP-INMHGKMJSA-N 284.403 3.844 30 20 CHED CC[C@H](OCCN(CC#N)C1CCCC1)c1ccccc1 593014564 MNWIJXLFEFFGIA-SFHVURJKSA-N 286.419 3.922 30 20 CHED N#Cc1[nH]c(=N[C@@H]2CCCc3ccccc32)sc1Cl 590569965 SDPSLJSXVJOSHV-LLVKDONJSA-N 289.791 3.580 30 20 CHED C=CCN(Cc1nn(-c2ccccc2)c2c1CCC2)C(C)C 747447496 LCRCBVJQZMBLRL-UHFFFAOYSA-N 295.430 3.757 30 20 CHED CC[C@H](C#N)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 593455895 YGPWJRSTJJWDEJ-DYVFJYSZSA-N 295.386 3.771 30 20 CHED CCCCCCCCC(=O)N(CC)C[C@H]1CCCO1 919710885 ISOKRYGHVBTFJT-OAHLLOKOSA-N 269.429 3.765 30 20 CHED C[C@H](CC(=O)N[C@H](CCC#N)c1ccccc1)c1ccco1 599711246 SSJPIBIGQUGYQY-GDBMZVCRSA-N 296.370 3.934 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 597041953 RQEYUCDAJWMUEL-WBTNSWJXSA-N 276.424 3.647 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(SCC)CC1 595802575 GWZZTDPTGMFNQL-UHFFFAOYSA-N 284.469 3.660 30 20 CHED CSCC1(CCNc2nc(C)cc(C)c2C#N)CC1 596429102 QFLHOIBOCYHJLR-UHFFFAOYSA-N 275.421 3.515 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccc(C(C)C)cc2)no1 841620012 SJIHRLZSEXQTAB-CYBMUJFWSA-N 271.364 3.791 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(C2SCCS2)c1 917621212 LLDXUODGTMCQJO-UHFFFAOYSA-N 292.429 3.653 30 20 CHED N#Cc1cccc(C(=O)COC(=O)CCCC2CCCC2)c1 748301543 DLTISEVZQPRRIJ-UHFFFAOYSA-N 299.370 3.645 30 20 CHED C=C(C)CCOC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 744304946 JSCBSRGJRCSSBP-UHFFFAOYSA-N 276.380 3.639 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1nc(C(C)(C)C)cs1 924968364 APGARAMQKHUSJX-NSHDSACASA-N 279.453 3.859 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1cccs1 747004048 XINGLDLOZXLVLT-SREVYHEPSA-N 258.342 3.961 30 20 CHED O=C(C1CC=CC1)N1CCCSC1=Nc1ccccc1 740774602 DDEIUFFPQUZGON-UHFFFAOYSA-N 286.400 3.606 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H]1CCC[C@@H](C)C1 748921392 GOPOFFKUKNVVDW-IUODEOHRSA-N 271.360 3.736 30 20 CHED C[C@@H](/N=C/c1ccc(O)c(O)c1O)c1cccc(C2CC2)c1 840705887 GCSKMZYBZVTPEH-VURRPDKYSA-N 297.354 3.861 30 20 CHED CCOc1cccc(C(=O)/C=C\c2c(C3CC3)cnn2C)c1 849245305 GUZWRZVSNHWNIP-KTKRTIGZSA-N 296.370 3.592 30 20 CHED COc1cccc(NN=C2CCc3ccc(OC)cc3C2)c1 752721586 XHYGCPMAWLQKMS-UHFFFAOYSA-N 296.370 3.661 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)OCC1(C#N)CC1 753565682 PLZGSINQDUPHAE-KGLIPLIRSA-N 283.371 3.823 30 20 CHED C#CC[C@@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 757597435 LLXHVIGMHTVZMM-ZNFPLGDCSA-N 281.380 3.642 30 20 CHED CC(C)C#CC(=O)Nc1ccc2nc(C(F)F)sc2c1 854441506 NJZSTSSTQKJOAJ-UHFFFAOYSA-N 294.326 3.832 30 20 CHED C=C(Cl)CSCc1ccc(C(=O)OC)cc1F 759142818 BSWXKFSCIBGQRZ-UHFFFAOYSA-N 274.744 3.598 30 20 CHED CC(C)CCC[C@@H](C)NC=C1C(=O)CC(C)(C)CC1=O 920975877 BEUQJJGAYKBOIO-CYBMUJFWSA-N 279.424 3.633 30 20 CHED CCc1ncc(C=NNc2ccccc2Cl)s1 752155959 VGGPMFRKJULIMH-UHFFFAOYSA-N 265.769 3.805 30 20 CHED C(=NN[C@H]1CCSC1)c1ccc(-c2cccs2)cc1 853345612 GKZREAUVBNUKPN-AWEZNQCLSA-N 288.441 3.844 30 20 CHED CC(=O)CCCCCCC(=O)N[C@H](C#N)C1CCCCC1 754432423 MFEDKVVIGZLWSN-MRXNPFEDSA-N 292.423 3.505 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1ccoc1 754865666 PFCVKMCTQJUNBH-UHFFFAOYSA-N 266.385 3.782 30 20 CHED N#CCCCc1nc(C2(c3cccc(F)c3)CCC2)no1 924189270 QSBDWJSBLVNOAS-UHFFFAOYSA-N 285.322 3.525 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCC1CCC1 755032581 YBIMOIFAWDVFQU-BOPFTXTBSA-N 254.333 3.550 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1nccc2ccc(C)cc12 855094032 QEZQJCAERRVLMI-SFHVURJKSA-N 298.386 3.711 30 20 CHED C=CCCC(CC)=NNC(=S)N[C@@H]1CCCC[C@@H]1C 750921522 KPJMKXJZRDLXFJ-GXTWGEPZSA-N 281.469 3.761 30 20 CHED C#CC[C@H](NC(=O)c1ccc(SC)cc1)c1ccccc1 757579011 NTKXPLOZQZXLIF-KRWDZBQOSA-N 295.407 3.903 30 20 CHED CCCNN=C1CCCOc2c1ccc(Cl)c2Cl 921141125 UJZMRBCWVACAGZ-UHFFFAOYSA-N 287.190 3.870 30 20 CHED CCCCCCCn1nc(C)c([C@H]2CCCC(=O)N2)c1C 853721244 CZRTVGDPVXTQJN-OAHLLOKOSA-N 291.439 3.812 30 20 CHED Cc1cccc(C(=O)O[C@H](C)CC(C)(C)C#N)c1C 851213638 SGGZJZQUPWBLDD-GFCCVEGCSA-N 259.349 3.789 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1cc(F)cc(F)c1O 757476872 VKADUYIJCFVYLS-HNQUOIGGSA-N 295.672 3.615 30 20 CHED Cc1cc(Br)cc(C(=O)O[C@H](C)CC#N)c1C 850841808 GMTBCGQYWQLZHI-SECBINFHSA-N 296.164 3.525 30 20 CHED CCCCCCCC(=O)OCc1noc(C2CCC2)n1 859506482 PLYHGVBWRJKHAD-UHFFFAOYSA-N 280.368 3.741 30 20 CHED C[C@@H]1CCCC[C@H]1N1CCC(=NO[C@H]2CCCCO2)CC1 755816386 FLPLKWDQGNGHMF-OIISXLGYSA-N 294.439 3.560 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@H]1CCC[C@@H](OC)C1 851300136 LDNWXPQZTNCYRU-UONOGXRCSA-N 268.397 3.727 30 20 CHED N#Cc1ccccc1COC(=O)/C=C/SCc1ccco1 759836274 HVGKBROSPMZOEH-VQHVLOKHSA-N 299.351 3.642 30 20 CHED C#Cc1ccc(CNc2ccc(N=S(C)(C)=O)cc2)cc1 864013213 NDGLXYIJZFUOFV-UHFFFAOYSA-N 298.411 3.639 30 20 CHED COc1cccc([C@@H](C)C(=O)Oc2ccc(C#N)c(C)c2)c1 765092412 UKYMOYSBIGKBCS-CYBMUJFWSA-N 295.338 3.584 30 20 CHED C[C@@H]1CCC(=NNc2cccc([N+](=O)[O-])c2)C[C@H]1C 767363297 YZYHPHJSWMQSFH-GHMZBOCLSA-N 261.325 3.819 30 20 CHED C=CC[C@H](N[C@H](C)c1cncc(F)c1)c1ccncc1 766019496 MCIZFCOAKKPEGH-WBMJQRKESA-N 271.339 3.584 30 20 CHED C=CCC[C@H](CC)Nc1ccc2c(c1)C[C@H](OC)C2 760885879 MNGFFJGDTHIEGR-DOTOQJQBSA-N 259.393 3.957 30 20 CHED Nc1ccc(C=NNCc2cccc(Cl)c2)c(Cl)c1 1117679379 RQYUVWRXWVNBMU-UHFFFAOYSA-N 294.185 3.699 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCSc2ccccc21 877970773 CDMLAMNYQFQJLR-ZDUSSCGKSA-N 275.417 3.942 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCc2cc(F)ccc21 779863064 KIFRXRLWNLAFIU-MRXNPFEDSA-N 273.351 3.513 30 20 CHED CCCCCCCOC(=O)Cc1c(C)noc1Cl 777124732 ZODNRVVIZYGKNL-UHFFFAOYSA-N 273.760 3.693 30 20 CHED C=CCN(C)C(=O)/C=C/c1ccc2cc(OC)ccc2c1 777839672 CEZRVXFMOBJDGY-UXBLZVDNSA-N 281.355 3.506 30 20 CHED C#CCCN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 770043503 GWZXDILNABGELV-LLVKDONJSA-N 279.664 3.695 30 20 CHED CC(=C\c1ccccc1)/C=C1/C(=O)Nc2cc(C#N)ccc21 773160424 LRLDBLOGPXZVIX-HFRXNJIXSA-N 286.334 3.997 30 20 CHED C=C(CC)COC(=O)c1cc(C)n(C(CC)CC)n1 776428774 FUUUHINVRSDLDB-UHFFFAOYSA-N 264.369 3.676 30 20 CHED C[C@H](NCc1ccc(F)cc1C#N)c1ccc(N(C)C)cc1 775833178 HINMTTKECQFHGH-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED CC1(C)CCC/C(=C\c2ccc3nccnc3c2)C1=O 871661725 UJSUUEGWLGFWMT-JLHYYAGUSA-N 266.344 3.792 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 879165988 VFMZQNATHRRDNZ-LBPRGKRZSA-N 299.374 3.516 30 20 CHED C=C(CC)COC(=O)c1cccc(NC(=O)c2ccco2)c1 773494834 LLTJGASBOFQDEE-UHFFFAOYSA-N 299.326 3.655 30 20 CHED CC/C(C)=C(/C)C(=O)N(CC#N)c1ccc(F)cc1C 875982935 ZRPDQVBKKIDDKL-QBFSEMIESA-N 274.339 3.737 30 20 CHED C#CCCCCCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 779946560 FLWDHKBTVAHVMY-BZUAXINKSA-N 261.409 3.750 30 20 CHED CC(C)(C#N)Cc1nnc(CC23CC4CC(CC(C4)C2)C3)o1 1118425442 KFMQXBKQWIUDNM-UHFFFAOYSA-N 299.418 3.921 30 20 CHED Cc1cc(C)cc(/C=C2/C(=O)Nc3cc(C#N)ccc32)c1 773161256 QQARXDUCYNOJAX-LZYBPNLTSA-N 274.323 3.668 30 20 CHED N#CCOc1cccc(NC[C@@H]2CCc3ccccc32)c1 779736233 BSXMPWWGYIIDTI-HNNXBMFYSA-N 278.355 3.731 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2ccc(Cl)c(F)c2)c1 1125084393 VRGHOOXZQOBWHT-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@H](C#N)Oc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 779707555 VBCAANKZASBOLH-SECBINFHSA-N 299.280 3.799 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C(F)F)cc1)OCC 885580640 CYYQMTASYNTGDR-CYBMUJFWSA-N 283.318 3.934 30 20 CHED C[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 774147172 KQMDYIPDAAXUNB-WWGRRREGSA-N 260.356 3.601 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)C=C1CCC1)c1cccs1 1123105570 GYTMXRFTTUCDEO-DOMZBBRYSA-N 275.373 3.992 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)[C@@H](C#N)c1nccn1CC 1123237254 ZNSYFBBCXGXGAF-LSDHHAIUSA-N 287.407 3.686 30 20 CHED CC[C@H](C#N)OC(=O)c1sccc1-c1ccccc1 781128111 KFMWRVJUYKMBHK-GFCCVEGCSA-N 271.341 3.874 30 20 CHED CCOc1cccc(/C=N\[C@@H]2C[C@H]2c2ccc(F)cc2)c1O 788320376 MJSPRFFCYARRLI-ZMMDKTBSSA-N 299.345 3.905 30 20 CHED C=C(Br)CSc1nc2nc(C)ccc2o1 783908746 AQUJFQUBODNLMQ-UHFFFAOYSA-N 285.166 3.532 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(C)c(OC)c1 786628455 BBQXXRPBNODWRA-MRXNPFEDSA-N 262.349 3.649 30 20 CHED C=C[C@@H]1CCCCN1C[C@@H](O)c1ccc(F)cc1Cl 785997004 JFJWBZCALAQCFQ-IUODEOHRSA-N 283.774 3.553 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2cccc(O)c2)cc1C 783713894 WTBDBDZJFFNVMK-BQYQJAHWSA-N 282.339 3.914 30 20 CHED N#Cc1ccc(NN=Cc2cccc(F)c2F)cc1Cl 783877724 NQPOIPUXQZABKK-UHFFFAOYSA-N 291.688 3.936 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1ccc(C)cc1OC 899344903 ADEAZTYCIYLEAN-HJWRWDBZSA-N 285.343 3.759 30 20 CHED C[C@H](CCO)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782779005 WDEQTHLWDFCGFR-HUUCEWRRSA-N 294.398 3.647 30 20 CHED COc1ccc(CNN=C(C)[C@@H](OC)c2ccccc2)cc1 782206005 NSKYQMJPOKRVCY-GOSISDBHSA-N 298.386 3.548 30 20 CHED CN(Cc1ccccc1O)c1ccc(Cl)cc1C#N 302669737 RCFQBERCHDUHTO-UHFFFAOYSA-N 272.735 3.554 30 20 CHED CCC(=NOCCC(F)(F)F)c1cccc(F)c1 783523253 FMTMBAWBUNXUOS-UHFFFAOYSA-N 263.234 3.909 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1cccc([N+](=O)[O-])c1 783784434 DGLFWOYUDUNQRV-NEPJUHHUSA-N 261.325 3.819 30 20 CHED CC1(C)C[C@H](NN=Cc2cc3ccccc3s2)CCO1 780251103 SQDQGPIGXDDDLU-CYBMUJFWSA-N 288.416 3.782 30 20 CHED C[C@H](OC(=O)/C=C\c1ccc(O)cc1)c1cccc(C#N)c1 782438001 BZTHAFZYXLUMQA-SZNGSJQDSA-N 293.322 3.581 30 20 CHED Cc1ccc(C(=O)NC(C)(C)c2ccccc2)cc1C#N 799321369 APQXBLHBVVXJFR-UHFFFAOYSA-N 278.355 3.532 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](C#N)CCc1ccccc1 1137854957 KBIBZRKCPOPBQZ-HYVNUMGLSA-N 284.403 3.548 30 20 CHED Cc1cc(CN2CC[C@H](C)C3(CCC3)C2)ccc1C#N 1205335096 PDAAYHOKZFLMSW-HNNXBMFYSA-N 268.404 3.879 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC[C@@H]2CCF)cc1 794855816 AJBFQFIOZDWPOF-SNVBAGLBSA-N 265.288 3.522 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)O[C@H](C)C(C)(C)C#N 797177089 KLORTTCUFZYPDI-ZIAGYGMSSA-N 298.386 3.759 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1occc1C(C)C 790137632 ACUBWPKCUCIAPI-UHFFFAOYSA-N 299.326 3.893 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 1138967050 XULLHZQYLZHVHA-IUODEOHRSA-N 297.402 3.897 30 20 CHED CC[C@@H](C)CON=Cc1nc2cc(Cl)ccc2n1C 793144705 FTFSIQMBUSLIFO-SNVBAGLBSA-N 279.771 3.623 30 20 CHED CC(C)(C#N)CCN1Cc2ccc(Br)cc2C1 707983986 IUBAKQSSQJQAGD-UHFFFAOYSA-N 293.208 3.705 30 20 CHED C=CCCCCN1CCO[C@H](c2cccc(F)c2)C1 649281332 QSFOXOUXTRNQDQ-INIZCTEOSA-N 263.356 3.555 30 20 CHED C[C@H]1CCC[C@@H](C=NNCc2ccccc2N(C)C)C1 794948889 GVCZMKMIYHXADE-LSDHHAIUSA-N 273.424 3.654 30 20 CHED CCCCCCCCS(=O)(=O)c1cccc(O)c1 790177160 ZXJKGPRSSMKNCZ-UHFFFAOYSA-N 270.394 3.526 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(C)c(C#N)c1 799695445 JMHFQHZGQFXNHL-PBHICJAKSA-N 284.403 3.908 30 20 CHED Cc1cc(/C=C2/COc3cc(F)ccc3C2=O)ccc1C#N 794726347 BNJRBHLGUDWMCV-AUWJEWJLSA-N 293.297 3.665 30 20 CHED CC(C)(C)c1nc(CN2CCC[C@H](CC#N)C2)cs1 595609344 ISKFCSJSSNRSMF-GFCCVEGCSA-N 277.437 3.566 30 20 CHED C#CCOCCC(=O)N(c1cccc(C)c1)C(CC)CC 791965271 YCCFVKXZMUXPDO-UHFFFAOYSA-N 287.403 3.557 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](C)c1cc(C)sc1C 791013518 QYZXEJGRXSSOEX-WCQYABFASA-N 278.421 3.527 30 20 CHED CC(CCc1cccc(C)c1)=NNCCC(F)(F)F 794552416 ZUSFYBRHNWWVIL-UHFFFAOYSA-N 272.314 3.846 30 20 CHED Cc1ccc(OC(=O)c2cc(C#N)oc2C)c(Cl)c1 797953162 WRLFYQUAQBPYFW-UHFFFAOYSA-N 275.691 3.641 30 20 CHED C=CCN(C(=O)NCCc1ccc(SC)cc1)C(C)C 798116105 CKSMFYHHNCGPKU-UHFFFAOYSA-N 292.448 3.557 30 20 CHED COc1cc(C#N)ccc1NCc1cc(F)ccc1C 97849230 XDDMLVPFVICCFD-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCC(CC)(CN=c1cc[nH]c(C#N)c1)c1ccccc1 1306980875 APDNSETWBWZXNF-UHFFFAOYSA-N 279.387 3.545 30 20 CHED CC(C)[C@H](CN=c1cc[nH]cc1C#N)c1ccc(Cl)cc1 1307115077 WCHTWLNMFRXAHF-INIZCTEOSA-N 299.805 3.880 30 20 CHED CC1(C)CCCC[C@@H]1Nc1ncc(C#N)cc1Cl 1642417785 WMAUORZMRRZKDA-LBPRGKRZSA-N 263.772 3.987 30 20 CHED CN(C)c1ncccc1/C=C1/Cc2cc(Cl)ccc2C1=O 1326690386 OGRWPUXIQGEPRY-JYRVWZFOSA-N 298.773 3.623 30 20 CHED CC(C)(C)SCCCOC(=O)CC#Cc1ccccc1 1329379914 TZUPYOFTAHNETL-UHFFFAOYSA-N 290.428 3.893 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1COc1ccccc1 1326572977 JKRJYTYPOKETPA-KRWDZBQOSA-N 299.414 3.640 30 20 CHED C[C@@H]1C[C@@H](C)CN(c2nc(C(C)(C)C)ccc2C#N)C1 1649266023 TUEAQRXSDIWSLO-CHWSQXEVSA-N 271.408 3.733 30 20 CHED C[C@@H]1CCCC[C@H]1c1nnc(-c2ccc(C#N)cc2)o1 1327353374 JGIBCSDFWPMDHH-BXUZGUMPSA-N 267.332 3.902 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCC1(CC#N)CC1 1339733771 XIMVCVVTYPVQFU-STQMWFEESA-N 270.376 3.532 30 20 CHED C=C(C)CN(C)C(=O)c1[nH]c2ccc(C)cc2c1Cl 1331461713 OGTXZJWNUJRCFQ-UHFFFAOYSA-N 276.767 3.778 30 20 CHED CC[C@@H](CC(=O)[C@@H](C#N)c1nccn1CC)c1ccccc1 1263617083 UNNMUUPLDJALOT-GOEBONIOSA-N 295.386 3.663 30 20 CHED CC(C)c1ccc(CNC(=O)c2csc(C#N)c2)cc1 1261256013 SAJDJWWJAQVPNU-UHFFFAOYSA-N 284.384 3.673 30 20 CHED C#CC[C@@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 1263378139 WTCPSODPKMTRRG-CQSZACIVSA-N 289.334 3.794 30 20 CHED Cc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2cccc(F)n2)cc1 1347124330 OZAYKZDNOHXVDZ-AWEZNQCLSA-N 296.345 3.683 30 20 CHED C=C(CC)C(=O)N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1348223553 WCJSLXQYIMGURJ-WBMJQRKESA-N 273.376 3.571 30 20 CHED C#CCCCCCCNC1CCC2(CCOCC2)CC1 1262009377 UZJSFSHMHYXWPG-UHFFFAOYSA-N 277.452 3.899 30 20 CHED C[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccc(F)c(F)c1 1344822987 ASESZAHYCHHVCL-GVXVVHGQSA-N 293.313 3.694 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1sc(C)cc1C 1272913991 XIPSTSGGMBBJPF-UHFFFAOYSA-N 298.367 3.692 30 20 CHED Cc1cccc(C)c1CNc1ccc(OCC#N)cc1 215822997 KQBZZLCBTGWBAA-UHFFFAOYSA-N 266.344 3.818 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2cc(C#N)ccc2F)c1C 1360280073 KXFHGDSPVRPJDW-CYBMUJFWSA-N 296.345 3.805 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)c1ccnc(C#N)c1 1458368508 DBMGRTNHQQMUMV-QGZVFWFLSA-N 281.359 3.549 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)cc1F 1529895602 LPWYWSYDDOKARY-XJKSGUPXSA-N 288.366 3.786 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2sccc2C#N)CC1 1523533206 VJNZIZBPLCMOHD-TZMCWYRMSA-N 290.432 3.954 30 20 CHED N#Cc1ccc(CSc2nncc3ccccc23)s1 1458898263 OFXVHHNKSOQNPQ-UHFFFAOYSA-N 283.381 3.855 30 20 CHED C=C(C)C[C@H](Nc1nc2c(C)c(C)ccc2s1)C(=O)O 1602757928 XKBWUJOKMIUBGV-NSHDSACASA-N 290.388 3.744 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(CC)[C@@H](C#N)CC)cc1 1538757920 VXGXIOURNGPQEJ-WMLDXEAASA-N 286.419 3.893 30 20 CHED N#Cc1ccc(F)cc1CSc1nc2ccccc2[nH]1 129975154 AAVSAUJEBCNCBY-UHFFFAOYSA-N 283.331 3.866 30 20 CHED N#Cc1cccc(OCCn2cnc(-c3ccccc3)c2)c1 1614959995 IERWJRHGOZUXKD-UHFFFAOYSA-N 289.338 3.501 30 20 CHED C[C@@H](OC(=O)[C@@H](CC#N)c1ccccc1)c1ncccc1F 1540027359 RCGKMYZTMBJOHV-OCCSQVGLSA-N 298.317 3.522 30 20 CHED N#CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1 227850647 BJCRMZFUTYTFJB-RBSFLKMASA-N 274.408 3.545 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCC[C@H]2C(C)(C)C)n1 1559209675 JYLSGJLLSDXSKA-CHWSQXEVSA-N 272.396 3.537 30 20 CHED N#Cc1cccc(Oc2ccc(Nc3cnccn3)cc2)c1 1639453132 DDHHPBYFJPNFPB-UHFFFAOYSA-N 288.310 3.884 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccc(Cl)cn1 120263053 FFZUXDHZZILUTC-UHFFFAOYSA-N 272.735 3.803 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)CC1CCC1 1722544061 PGGWWILADDCMKL-NSHDSACASA-N 296.846 3.780 30 20 CHED N#Cc1cc(F)cc(NCC2=Cc3ccccc3OC2)c1 1560557885 KPYPSHBXLHDUOB-UHFFFAOYSA-N 280.302 3.585 30 20 CHED CCc1ccc(OCCCC(C)(C)C#N)c(OC)c1 122011293 PHEHDKDMJKHMMT-UHFFFAOYSA-N 261.365 3.966 30 20 CHED Cc1nc(N[C@@H](C)Cc2ccccc2Cl)ccc1C#N 1654982939 ICBVVCQTNQNZKV-NSHDSACASA-N 285.778 3.958 30 20 CHED CCc1c[nH]c2ncnc(N[C@@H](C)c3ccc(C#N)cc3)c12 1650683446 QDDOUHQHSHYFTE-NSHDSACASA-N 291.358 3.565 30 20 CHED CC(C)CN(Cc1cccc(C#N)n1)Cc1ccccc1F 1658927770 ZNEKYNIFIROUAB-UHFFFAOYSA-N 297.377 3.751 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCO1 231718812 CRJSKABNUUMOMR-BXKDBHETSA-N 284.281 3.556 30 20 CHED N#Cc1cccnc1Sc1nc2cccc(F)c2s1 1652157588 OJXPXAZZACTOQI-UHFFFAOYSA-N 287.344 3.853 30 20 CHED C=CC[C@@H](SCc1cc(C)ccc1C)C(=O)O 1588758202 FFKMCVCMSVAQOU-CYBMUJFWSA-N 250.363 3.566 30 20 CHED CC(C)(C)c1cc(Sc2cccc(F)c2C#N)ncn1 1655612728 YEQZRMWWYMZXQI-UHFFFAOYSA-N 287.363 3.936 30 20 CHED CC(C)Oc1c(N=Cc2ccccc2O)cccc1C(=O)O 1591741058 RKVOQLVGTSXKKA-UHFFFAOYSA-N 299.326 3.628 30 20 CHED C[C@@H]1CC(C(=O)Nc2cc(C#N)ccc2F)C[C@@H](C)C1 1596936193 GIOOMQNWTLVUCS-QWRGUYRKSA-N 274.339 3.708 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1sccc1C#N 1673279325 SGRNGOYLQCCBDA-ZYHUDNBSSA-N 277.393 3.710 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1sccc1C#N 1672812382 IJQBMICUQIFOPS-VXGBXAGGSA-N 291.420 3.956 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)Nc1cccc(C#N)c1 1673022202 NRPSOVQJIWWPLS-INIZCTEOSA-N 285.391 3.991 30 20 CHED Cc1cccc(NN=Cc2ccc3oc(C(=O)O)cc3c2)c1 1776033192 KFMWDPUZGVOMAF-UHFFFAOYSA-N 294.310 3.885 30 20 CHED CCC(CC)CC=NNc1ccc(CC(=O)O)cc1 1776084815 QLYMBRNRVCEKNB-UHFFFAOYSA-N 262.353 3.538 30 20 CHED C=CCCC[C@@H](NC[C@H](C)CCc1ccccc1)C(=O)O 1776171233 QBBNDZSQSBINPP-NVXWUHKLSA-N 289.419 3.654 30 20 CHED CC(C)c1ccccc1C=NNc1ccc(C(=O)O)cc1 1776013430 YEPIGZOLCLXUHD-UHFFFAOYSA-N 282.343 3.954 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(OC(C)(C)C)CC1 162318982 SHHLCZBMOWWNDT-AWEZNQCLSA-N 286.419 3.899 30 20 CHED CC(C)(C#N)CCCOc1cccc(NC(=O)C2CC2)c1 158128951 QOWRPFGHNZOJNU-UHFFFAOYSA-N 286.375 3.744 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)Cc1ccc(C(C)C)cc1 116974467 GKUCAHGVBZRPSD-CQSZACIVSA-N 274.408 3.916 30 20 CHED CS[C@@H](C)CC(=O)Nc1ccc(C(C)(C)C#N)cc1 157633124 WDCCNAFIFYYYQH-NSHDSACASA-N 276.405 3.568 30 20 CHED CC(C)(C#N)CCN1CCC[C@H](c2nc3ccccc3o2)C1 157637588 XIIFEBIZKKKXPF-AWEZNQCLSA-N 297.402 3.947 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(C)c(F)c1 157744629 FKSHLXPBROLVAG-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 8080243 GMNRIGASWGICPN-VOTSOKGWSA-N 273.313 3.861 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCOc2ccccc21 156822445 CNLDHNKGGJWCRW-MRXNPFEDSA-N 287.403 3.758 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 274618681 SSEZFPSHIKNZOP-QGZVFWFLSA-N 296.414 3.876 30 20 CHED CC/C(=N\c1ccc(Br)cc1)S[O] 1857775874 ZFNWTIFKWZSJKW-PKNBQFBNSA-N 259.148 3.968 30 20 CHED CCCC1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 1184732911 JCQDBHBNVMBMIH-UHFFFAOYSA-N 271.364 3.602 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(F)cc1C 129245906 ULXLISBCSDSGQX-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1ccccc1CN1CCC[C@H]2CCCC[C@@H]21 35174411 UYSNYJJDDTUHGI-PBHICJAKSA-N 254.377 3.713 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc2c(s1)CCCCCC2 264027267 JJILQHKJDJEOKH-LBPRGKRZSA-N 290.432 3.781 30 20 CHED N#Cc1cc(Cl)ccc1NCc1cccc(C(=O)O)c1 52856270 GAKUUWAYVLRSQM-UHFFFAOYSA-N 286.718 3.522 30 20 CHED Cc1nc(C#N)cc(SCc2ccccc2Cl)n1 308278518 AXUWHTLUIDSACV-UHFFFAOYSA-N 275.764 3.602 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccsc1 404669241 BSIGWTVWQZGULJ-OAHLLOKOSA-N 274.364 4.000 30 20 CHED N#Cc1ccc(F)cc1CSC1(CO)CCCCC1 313154451 WYEPFBDKCXKDIK-UHFFFAOYSA-N 279.380 3.626 30 20 CHED N#Cc1ccc(N=C(O)[C@H]2CCCSC2)c(Cl)c1 329822912 QDWKTAUYFLQMIP-JTQLQIEISA-N 280.780 3.943 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 343698253 FTFXKYBOABJHDX-WDEREUQCSA-N 281.812 3.693 30 20 CHED N#Cc1cc(NC(=O)[C@H]2CC3CCC2CC3)ccc1Cl 690222456 YPVQYQVBWUEFCG-MGULZYLOSA-N 288.778 3.976 30 20 CHED CSCc1cnc(C=NOCc2ccccc2)s1 814791172 CSTZMEFWCPNHEC-UHFFFAOYSA-N 278.402 3.557 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccccc2Br)C1 397684823 UZDJVKUMGZGIOI-LBPRGKRZSA-N 293.208 3.575 30 20 CHED Cc1ccc(F)cc1NCc1ccc(CC#N)cc1 398947961 BVRIVWKQYMRHSW-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C#CCCCCC(=O)N1CC(C)(C)c2ccccc21 773315570 WTNHJTPFPUKGQQ-UHFFFAOYSA-N 255.361 3.504 30 20 CHED C[C@H](OC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1 6448149 MKDYVYYMZVPWJY-UONOGXRCSA-N 295.338 3.630 30 20 CHED C=CCOc1ccccc1CNCc1cc(F)ccc1F 105496345 KDBSLOFAMZLGLK-UHFFFAOYSA-N 289.325 3.819 30 20 CHED C=CCN(CCCOC(C)C)Cc1cccs1 171497307 XCHMSSSGOBJMSW-UHFFFAOYSA-N 253.411 3.551 30 20 CHED O=C1/C(=C/c2cccc3c2OCCO3)CCc2ccccc21 54801691 XIWMCLXRZYTJDR-WYMLVPIESA-N 292.334 3.670 30 20 CHED C=C(C)CSCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 177869887 WHXXFWFXWPBFLS-AWEZNQCLSA-N 277.433 3.790 30 20 CHED C#CCOCCC(=O)Nc1ccc(C(C)C)cc1C(C)C 179290830 IXXXZRZFIRWAOZ-UHFFFAOYSA-N 287.403 3.912 30 20 CHED C[C@H](OC(=O)COc1cccc2ccccc12)C(C)(C)C#N 178818618 FNZUPNLDJBFOAL-ZDUSSCGKSA-N 297.354 3.700 30 20 CHED C[C@@H](N[C@H](C)c1nc(C(C)(C)C)no1)c1cccc(C#N)c1 174357929 SAZRZRHTAUBOOE-VXGBXAGGSA-N 298.390 3.651 30 20 CHED C#CCCCNC(=O)c1sccc1-c1ccc(C)cc1 172934327 ZSZIIIYWLPQXQI-UHFFFAOYSA-N 283.396 3.867 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2ccc(OCC#N)cc2)o1 20126438 JMEFOKTXZDKELK-BLLLJJGKSA-N 282.343 3.917 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](CC)Oc1ccccc1Cl 176415429 RUMODWVLVHGEIO-AAEUAGOBSA-N 281.783 3.578 30 20 CHED O=C(Nc1cccc(C#Cc2ccccc2)c1)C1CC=CC1 303841574 QIXTYACMOYTEDV-UHFFFAOYSA-N 287.362 3.991 30 20 CHED Cc1c(Cl)c[nH]c(=NCC2CCC(F)(F)CC2)c1C#N 409674129 ZPWYWGNBBOIMGO-UHFFFAOYSA-N 299.752 3.574 30 20 CHED Cc1cccc(NC(=O)N(CCC#N)CCC(C)C)c1 176335958 TZANFFSITHQSSM-UHFFFAOYSA-N 273.380 3.789 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@@H]2c2ccccc2)c1 348539311 LUDBIGQQAXOMKX-QGZVFWFLSA-N 266.319 3.644 30 20 CHED CC(C)SCCOc1ccc(C#N)c(Cl)c1 304310157 QLDCPPZXIVCJMK-UHFFFAOYSA-N 255.770 3.732 30 20 CHED CCCCC[C@@H](Nc1ccc(C#N)nn1)C(C)(C)C 302011252 WMAXXLZQAOSRIG-CYBMUJFWSA-N 260.385 3.755 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N1CCCC(C)(C)[C@H]1C#N 408079294 GQBOLICCBQRFNG-OAHLLOKOSA-N 288.391 3.866 30 20 CHED Cc1ccc(CNc2ccc(C#N)c(Cl)c2)cn1 62054874 WNEHAVUOJUNWQC-UHFFFAOYSA-N 257.724 3.527 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 179413217 BMFFCRXLSOBFIC-GQCTYLIASA-N 288.690 3.539 30 20 CHED C=CCc1ccc(OC(=O)CCc2ccoc2)c(OC)c1 177064687 BBHRJSWTFMPYHH-UHFFFAOYSA-N 286.327 3.555 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C(C)C)nc1 1349862907 HJOZWZIDPMQCAH-HNNXBMFYSA-N 272.392 3.776 30 20 CHED C[C@@H]1CC[C@H](Nc2snc(Cl)c2C#N)[C@H](C)C1 301291797 UETVWUAEWXANJD-MRTMQBJTSA-N 269.801 3.905 30 20 CHED CCCCCCCCN/C(N)=N/Cc1sc(C)nc1C 304757398 OUNDRALBJSFGCN-UHFFFAOYSA-N 296.484 3.525 30 20 CHED CCc1nnc(Oc2ccc(C)c(C)c2)c(C#N)c1CC 125024118 HGOHMKRRTUTSEC-UHFFFAOYSA-N 281.359 3.882 30 20 CHED CCC1(CNc2ccc(Cl)cc2C#N)CCOCC1 311612622 FOSAISHGUFNLLB-UHFFFAOYSA-N 278.783 3.830 30 20 CHED CCCCCCCCN/C(N)=N/C[C@@H](C)c1nccs1 305811251 JJNCELCYAITASG-CYBMUJFWSA-N 296.484 3.511 30 20 CHED CCC1(CC)[C@H](Nc2snc(Cl)c2C#N)C[C@H]1OC 301728645 WGMLRGQLTVSHCJ-NXEZZACHSA-N 299.827 3.674 30 20 CHED C[C@H](NC(=O)C1(C#N)CCC1)c1cccc(Cl)c1Cl 121606353 QMHMZFFLBKXHMW-VIFPVBQESA-N 297.185 3.864 30 20 CHED C=C(CC)CN1CCC(OCC2CCCC2)CC1 358511454 ROMJNVXTAINBTC-UHFFFAOYSA-N 251.414 3.624 30 20 CHED C=CCC[C@@H](Nc1ccc(OC2COC2)cc1)C1CC1 188649746 CCQBIKYSYMXVQD-QGZVFWFLSA-N 273.376 3.621 30 20 CHED Cc1cc(O)c(CNc2ccccc2O[C@@H](C)C#N)cc1C 181121547 VXDQWZDIHMAOPN-AWEZNQCLSA-N 296.370 3.912 30 20 CHED COc1cc(C(=O)/C=C/c2ccc(C)cc2)c(OC)cc1O 122523924 MIUPTUGIUUQRDN-CMDGGOBGSA-N 298.338 3.614 30 20 CHED C=CCC[C@H](CC)NCC1CCN(CC(F)(F)F)CC1 188508448 DSEFCKLMNHRDIW-AWEZNQCLSA-N 292.389 3.595 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 185986905 SMQZJXRNDKSAFJ-UHFFFAOYSA-N 282.343 3.693 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)[C@H](C)C(C)C 181103978 OIOFPKGJZGZJFS-ZIAGYGMSSA-N 254.418 3.807 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 122497528 CFNMKSWYBFEEMQ-NSHDSACASA-N 284.746 3.954 30 20 CHED CCN(CCC#N)Cc1ccc(F)cc1C(F)(F)F 127685648 UODXLTHRDSPIPW-UHFFFAOYSA-N 274.261 3.580 30 20 CHED N#CC1(COc2ccc(Cl)c3cccnc23)CCC1 450714273 VMZQVEMDTHPUOZ-UHFFFAOYSA-N 272.735 3.961 30 20 CHED C[C@@H]1O[C@H](C)C[C@@H]1CN[C@@H]1CCCCc2cc(C#N)ccc21 414260157 MVPDNDAPTQIHDZ-QOIYZWAUSA-N 298.430 3.729 30 20 CHED C[C@H]1CCCC[C@H]1CN(CCC#N)Cc1cccnc1 182944873 PLKQAVJRKMJVLQ-RDJZCZTQSA-N 271.408 3.624 30 20 CHED C/C=C/c1ccc(Oc2ccc(C#N)cn2)c(OC)c1 73802894 VLNOFRQQWAZHOM-ONEGZZNKSA-N 266.300 3.787 30 20 CHED CCC[C@H](CC)NC(=O)Nc1ccccc1O[C@@H](C)C#N 184334614 DRIVCJUBKRMDBH-STQMWFEESA-N 289.379 3.678 30 20 CHED Cc1cc(CNc2nc3c(cc2C#N)CCCC3)ccc1F 217641948 PVFVEQLUZVAYCI-UHFFFAOYSA-N 295.361 3.892 30 20 CHED C[C@@H](SCCCC#N)[C@@H](C)SCCCC#N 188203880 YHQMNKJEYGYRCI-VXGBXAGGSA-N 256.440 3.837 30 20 CHED N#Cc1ccc(CNCCC2=CCCCCC2)s1 185407642 CEFZOWVDXCJTEH-UHFFFAOYSA-N 260.406 3.990 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(F)c(Cl)c1 125619890 MIKUCLKMJMNCGC-NSHDSACASA-N 271.763 3.722 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H]1C=CCCC1 186990746 NKWDTVMXFXLYDY-INIZCTEOSA-N 299.414 3.956 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)c2ccccc21 123816271 ZNXUFVSNGNULLW-ZDUSSCGKSA-N 255.361 3.905 30 20 CHED CSc1ccc([C@H](C)Nc2ncccc2C#N)cc1 75669140 FHHBXUXTLKMPMD-NSHDSACASA-N 269.373 3.848 30 20 CHED C#CCCCCC(=O)Nc1cc2ccccc2cc1C(=O)O 318486544 LBMGKTISKVOVCJ-UHFFFAOYSA-N 295.338 3.670 30 20 CHED CC(C)n1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 418151145 WSJMOMHUTRYSET-SFHVURJKSA-N 294.402 3.503 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCC1 418145623 YMKCNNCSWOTQJM-GFCCVEGCSA-N 262.784 3.554 30 20 CHED C=CCC[C@H](NC(=O)C[C@H]1CCCCO1)c1ccccc1 133797618 ZXAXIPKHMKNMAS-SJORKVTESA-N 287.403 3.769 30 20 CHED CCCc1cccc(/C=C2\CCc3c(cnn3C)C2=O)c1 187637197 REWKUYQOBCXILX-RVDMUPIBSA-N 280.371 3.585 30 20 CHED O=C(NCC#Cc1ccccc1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 506140351 APFRSTSQTRXIBP-IPMKNSEASA-N 295.426 3.761 30 20 CHED C#CCN1CCC(Sc2ccc(Cl)cc2)CC1 134858386 HBAUHQABPNBSSJ-UHFFFAOYSA-N 265.809 3.530 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cscc1C#N 410559425 CQVNUFMBRNHVCZ-RISCZKNCSA-N 276.405 3.661 30 20 CHED O=C1/C(=C/c2cccnc2)Cc2cc(Cl)ccc21 78696404 CMYDGMLCTKMGJQ-WUXMJOGZSA-N 255.704 3.557 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(CN(C)C)c1 181038307 DJKAXIZNARPASR-CQSZACIVSA-N 289.423 3.615 30 20 CHED C=C(C)CNc1cc(Br)c(F)cc1F 228038298 YRZVEMADLAWINV-UHFFFAOYSA-N 262.097 3.715 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cc(C)on1 414297892 HUGGJDCGGWXJQE-GDBMZVCRSA-N 270.376 3.821 30 20 CHED N#CC1(CC[S@@](=O)Cc2ccc(F)cc2)CCCCC1 417163475 UGHIUJLLZOIFFY-HXUWFJFHSA-N 293.407 3.939 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cnc(C)nc1C 414299044 JEZYIWWBLCWZTG-YJBOKZPZSA-N 295.430 3.931 30 20 CHED OC(=Nc1nc(C2CC2)cs1)[C@H]1CCc2cccnc21 329393419 SOKURMVZHJIZHH-NSHDSACASA-N 285.372 3.734 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2ccccn2)ccc1Cl 135027301 CEDIWJXFRXIFEN-LBPRGKRZSA-N 270.719 3.534 30 20 CHED C[C@H]1CC[C@H](C(O)=Nc2ccc3c(c2F)CCN=C3O)C1 328906596 KXIIYSHGPUNOHT-UWVGGRQHSA-N 290.338 3.711 30 20 CHED C=CC[C@H](CC)N[C@H](C(=O)N(CC)CC)c1ccccc1 500815946 NDLWMGYIDQBAGD-IRXDYDNUSA-N 288.435 3.540 30 20 CHED C=CCC[C@H](CCC)Nc1cccc(N(C)C(N)=O)c1 426552834 MCZZTYRYMLSZFV-ZDUSSCGKSA-N 275.396 3.748 30 20 CHED C=CCCCC(=O)Nc1cc(Br)ccc1OC 175392401 BTLNTDHJCIPUSL-UHFFFAOYSA-N 298.180 3.753 30 20 CHED CC1(C)CCC[C@H]1C/N=C(/O)c1conc1C1CC1 329348362 VZRVXHUAPRVLMZ-NSHDSACASA-N 262.353 3.683 30 20 CHED C=C(C)CN(CC)C(=O)CS[C@@H](C)c1cccs1 133923650 SHHODTMLAGWCOM-LBPRGKRZSA-N 283.462 3.967 30 20 CHED CC1(C)Cc2cccc(CNCc3ccc(C#N)s3)c2O1 421350466 KYIYSIGTJNQXPO-UHFFFAOYSA-N 298.411 3.623 30 20 CHED COc1ccc2c(OCCCC(C)(C)C#N)ccnc2c1 135506273 ZBIHGDYKXFSGSX-UHFFFAOYSA-N 284.359 3.952 30 20 CHED CC[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 47053116 VLAZTLICCWBMTI-BBRMVZONSA-N 285.391 3.593 30 20 CHED CC(=O)c1ccc(OCc2cc(C#N)ccc2F)c(C)c1 134569612 OGJILJKPDGYHFF-UHFFFAOYSA-N 283.302 3.787 30 20 CHED CCc1ccc([C@@H](CC)N[C@@H]2CC[C@H](C#N)C2)cc1 424334395 VJWZNSQIPPDRBZ-USXIJHARSA-N 256.393 3.982 30 20 CHED N#CCCCCNC(=O)Nc1cccc2ccsc12 337323166 LLQNFKDYWNDOIE-UHFFFAOYSA-N 273.361 3.717 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC2(CCC2)c2ccccc21 334994040 ATVQHAMVTNELII-UHFFFAOYSA-N 292.338 3.542 30 20 CHED N#Cc1ccncc1C(=O)Nc1cc(Cl)ccc1Cl 334236184 HUXHHISDWLROAR-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC(C)(C)c1cc(C(O)=Nc2cnn(C(C)(C)C)c2)no1 330893985 ZCDMUNBKNLUSAN-UHFFFAOYSA-N 290.367 3.560 30 20 CHED C[C@H]1SCCN(CC#Cc2ccc(Cl)cc2)[C@@H]1C 427023242 MRRNJOJLUIJDSW-CHWSQXEVSA-N 279.836 3.517 30 20 CHED CC(C)(C)c1cccc(OCCCN(CC#N)C2CC2)c1 511594972 LCLWODFDXHLTCC-UHFFFAOYSA-N 286.419 3.741 30 20 CHED CC[C@@H](C)CC(=O)N(C)c1cc(Cl)ccc1C#N 191918986 XICDJWRIAXGMES-SNVBAGLBSA-N 264.756 3.611 30 20 CHED CC1CCC(C)(/N=C(/O)[C@H](C)c2cncnc2)CC1 330250730 HIKVAMKFHPWDRM-MQYJIDSJSA-N 261.369 3.505 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](c2ccccc2)C1(C)C 422218411 YHJJHASHTCLCOU-INIZCTEOSA-N 286.419 3.930 30 20 CHED CSc1ccc(C(=O)Nc2scc(C)c2C#N)cc1 336558658 VNTLGNNQTSDDMU-UHFFFAOYSA-N 288.397 3.902 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](SCC)C1 424708260 RIUGKRIBTRSPHT-STQMWFEESA-N 269.454 3.769 30 20 CHED Cc1ccnc(NC[C@]2(C)C[C@@H]2c2ccccc2)c1C#N 338741137 NLCGQORMFFDVTH-AEFFLSMTSA-N 277.371 3.867 30 20 CHED Cc1nsc(Nc2ccc3c(c2)CCC3)c1C#N 92912228 MDOMPAJGPXJEAH-UHFFFAOYSA-N 255.346 3.556 30 20 CHED C=CCCSCC(=O)N[C@H](CCC)c1ccccc1 339092591 VLECYOWBTSMBMW-OAHLLOKOSA-N 277.433 3.953 30 20 CHED C[C@@H](C1CCCCC1)N(C)/C(O)=N/Cc1cccc(O)c1 330396603 OCXSTHRCXULKKT-ZDUSSCGKSA-N 290.407 3.707 30 20 CHED CCC[C@@H]1CCCCN1c1nccc(C#N)c1Cl 233299820 LXUVQMHTOSVSNV-GFCCVEGCSA-N 263.772 3.766 30 20 CHED CCSCCSCCCOc1cccc(C#N)c1 91619008 YBDRBZBCOSVWAL-UHFFFAOYSA-N 281.446 3.813 30 20 CHED CCN(Cc1cccc(-c2cccnc2)c1)C[C@@H](C)C#N 91983043 UMZJQSPKBFIGMO-HNNXBMFYSA-N 279.387 3.730 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1c2cc(F)ccc2C[C@H]1C 436302496 AQYUVSHYKBYAKS-FOZNTRSISA-N 289.394 3.630 30 20 CHED Cc1occc1C(O)=Nc1ncc(C(C)(C)C)s1 330923894 TXUBSVSPILJBFC-UHFFFAOYSA-N 264.350 3.978 30 20 CHED CC(=O)[C@H](Cc1ccccc1F)Sc1ccc(C#N)cc1 436197843 ZYYFZIWUSIQMDC-KRWDZBQOSA-N 299.370 3.990 30 20 CHED CCc1cnc(CNc2ccc(C#N)c(C(F)(F)F)c2)o1 230183766 NFJIFYGOQREYCG-UHFFFAOYSA-N 295.264 3.740 30 20 CHED C=CCCCNc1cc(Cl)ccc1C(=O)NCCC 524840291 TXIBKIXCKQRGNG-UHFFFAOYSA-N 280.799 3.858 30 20 CHED C[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 248744258 CJWMJZVZZYPKJF-WXHSDQCUSA-N 282.368 3.642 30 20 CHED C=CCCC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 245382048 GTNVCPMXHTVWLG-JONQDZQNSA-N 261.409 3.770 30 20 CHED CN(c1ncccc1C#N)C1CCC(C(C)(C)C)CC1 520517860 FTAIZYWFAYCIDO-UHFFFAOYSA-N 271.408 3.994 30 20 CHED Cc1sc(NC(=O)[C@@H](C)C(C)(C)C)c(C#N)c1C 522335367 JCZIVIJSEXAULP-SECBINFHSA-N 264.394 3.857 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)Oc1ccc(F)cc1 606815628 QULAYTVSLZVVSA-AWEZNQCLSA-N 293.382 3.798 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C(C)C 436298893 IGYXXTUNUVRMEO-VQHPVUNQSA-N 265.441 3.772 30 20 CHED Cc1ncc([C@@H](C)NCCCCC(C)(C)C#N)s1 602955303 JEPVFBPLTHLBIN-LLVKDONJSA-N 265.426 3.822 30 20 CHED COc1cccc(CCCN(CCC#N)CC(C)(C)C)c1 525635294 RCMDVYOBWBBODA-UHFFFAOYSA-N 288.435 3.890 30 20 CHED CCc1ccc(C=NOCc2cnc(Cl)s2)cc1 255317893 QKMPFKZEWJECHH-UHFFFAOYSA-N 280.780 3.910 30 20 CHED C=CCC[C@@H](NC(=O)CSCCC)c1ccccc1 435281126 VSSZDHFACBSDLV-OAHLLOKOSA-N 277.433 3.953 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(F)c(C(C)=O)c1 349701352 WNHRUJHWVKTDRS-UHFFFAOYSA-N 298.317 3.521 30 20 CHED N#CCC1(CNC2(c3cccc(C(F)(F)F)c3)CC2)CC1 602789106 XOFOVSCXPFMMQX-UHFFFAOYSA-N 294.320 3.978 30 20 CHED CC(C)(CCC#N)CN=c1ccc2ccc(F)cc2[nH]1 340925745 DWEWOYLWXBWNGV-UHFFFAOYSA-N 271.339 3.538 30 20 CHED Cc1cccc(C)c1/C=C\C(=O)c1c(C)nn(C)c1C 255394656 JQUQLJTWCLZTKI-KTKRTIGZSA-N 268.360 3.550 30 20 CHED Cc1ccc(SCCC(=O)N[C@H](C#N)CC(C)C)cc1 608822935 JRYPOJSDOPFSKF-AWEZNQCLSA-N 290.432 3.532 30 20 CHED N#CCCCN1C[C@@H](c2ccccc2)c2ccccc21 444769290 WYKKLWRZVZSFSQ-KRWDZBQOSA-N 262.356 3.942 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C#N)Cc1ccccc1 604435766 ZBTOSERHKGBYBH-INIZCTEOSA-N 291.354 3.504 30 20 CHED CN(Cc1cc(F)cc(F)c1)Cc1ccc(F)c(C#N)c1 444695751 TZUCCNLXQYLXGL-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C[C@H](C(=O)N(C)c1ccc(C#N)cc1F)c1ccsc1 609970237 QXRAJUFSBDFEMN-JTQLQIEISA-N 288.347 3.525 30 20 CHED COc1ccc(O)c(/C=N\CCSc2ccccc2)c1 255212265 BEPVSURHKPWQND-ATVHPVEESA-N 287.384 3.612 30 20 CHED CCCCNc1cc(C#N)c([N+](=O)[O-])c(NCCCC)c1 609848472 OEERTJFHLCTWLH-UHFFFAOYSA-N 290.367 3.890 30 20 CHED Cc1sc(NC(=O)[C@H]2CC23CCCC3)c(C#N)c1C 531095457 DDPPGIGLWOKFNO-GFCCVEGCSA-N 274.389 3.755 30 20 CHED C=CCOCCCSCc1nc(C2CC2)cs1 359114375 FUJBMKWBQLFJJX-UHFFFAOYSA-N 269.435 3.846 30 20 CHED C=CCCC1(C(=O)NCc2ccccc2OC(C)C)CC1 354790825 UKUFZCIGNCRCRL-UHFFFAOYSA-N 287.403 3.836 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(OCCCCC)cc1 604881193 KRGKQQSSBQCAHK-CQSZACIVSA-N 275.392 3.950 30 20 CHED CC[C@H](CC#N)NCc1cccc(-c2ccncc2)c1 358258758 RAIGHHSYZHLMCP-QGZVFWFLSA-N 265.360 3.530 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1C 449887827 KXJILQQNQMYCAU-SNVBAGLBSA-N 271.282 3.708 30 20 CHED CCC(=O)Nc1ccc(C)c(NC[C@H](C)CCC#N)c1 602491544 AMCNFOVEAYZDGC-GFCCVEGCSA-N 273.380 3.695 30 20 CHED C=CCCCN1CCN(c2cccc3cnccc23)C[C@@H]1C 447402725 LTSAWLFRCIWQNM-INIZCTEOSA-N 295.430 3.712 30 20 CHED COc1ccccc1[C@H](C)[S@](=O)CCCC(C)(C)C#N 266990616 UIQSYIXYDANAGU-RNODOKPDSA-N 293.432 3.835 30 20 CHED C=C(C)CN(Cc1ccccc1)c1cc(C)nc(COC)n1 359888741 VPRUPOVZBRYWEX-UHFFFAOYSA-N 297.402 3.514 30 20 CHED COc1ccc(C#N)cc1NC(=O)CC1CCC(C)CC1 359726519 YBHORVXWQLTLGE-UHFFFAOYSA-N 286.375 3.722 30 20 CHED Cn1ccnc1-c1ccc(C2(C#N)CCCCC2)cc1 260182693 KDSGGVXLYYXEDU-UHFFFAOYSA-N 265.360 3.813 30 20 CHED CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 539369222 PXQPGAJGIVUMEI-UHFFFAOYSA-N 298.729 3.667 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H]1Cc1ccc(F)cc1 537385877 RNUPKWHUDCVLBI-MRXNPFEDSA-N 274.383 3.772 30 20 CHED C=CCc1ccccc1OCc1cc(OC)cc(C)n1 539826252 YMJRLPRKJKHLCK-UHFFFAOYSA-N 269.344 3.706 30 20 CHED Cc1cccc(CN(CC(C)C)CC2(C#N)CC2)c1 539449044 BHPHVHLSBLSMIM-UHFFFAOYSA-N 256.393 3.757 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(F)cc2OCC2CC2)C1 442858986 ULVBAAWVNZBRDC-JSGCOSHPSA-N 274.339 3.719 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)N(C)c1ccc(C#N)cc1 440054058 RNUBEXCNLMOEMV-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED COc1ccc(C#N)cc1NCc1cnc(C2CCC2)s1 354852658 NPUOUDPFOQXIJI-UHFFFAOYSA-N 299.399 3.903 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)cn1 267438065 YFCNZHOXZNNBJO-MAUKXSAKSA-N 293.370 3.533 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1c(C)oc2ccccc12 449549035 TXCAYDBACNGFNA-CVEARBPZSA-N 271.360 3.564 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 359419513 RFUNCGVDGHDROB-CVEARBPZSA-N 296.414 3.904 30 20 CHED C=CC[C@H](C)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 447581231 SLEQMSHLXFFRQX-AAEUAGOBSA-N 291.391 3.696 30 20 CHED C[C@H](C1CC1)N(C(=O)C[C@H](CC#N)c1ccccc1)C1CC1 354396311 UGYDIVXVGVXWOD-PBHICJAKSA-N 296.414 3.863 30 20 CHED CC1CCC(CC(=O)Nc2ccc(F)c(C#N)c2)CC1 359713354 IEIPFKRTAZRHBP-UHFFFAOYSA-N 274.339 3.852 30 20 CHED CCc1ccc([C@H](COC)NC2CCC(C)(C#N)CC2)o1 449152527 GFQMVTKONYAGIO-GULBITTBSA-N 290.407 3.592 30 20 CHED C=CCN(Cc1nc(C(C)(C)C)no1)Cc1cccs1 357515374 ZBIPCBJLYNGZTA-UHFFFAOYSA-N 291.420 3.617 30 20 CHED C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 610359915 PRBHDYQYKDOHHS-YCPHGPKFSA-N 284.403 3.952 30 20 CHED CC#CCCSc1nnc(-c2cccs2)n1CC 155014131 HZQDTJGHXQVEME-UHFFFAOYSA-N 277.418 3.532 30 20 CHED C=C(CN[C@@H](C)c1cnn(C(C)C)c1)c1ccccc1 268876200 YVQWWRQUIWHLRV-HNNXBMFYSA-N 269.392 3.828 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OCC2CC2)cc1 454787262 HYQOOOWFUXBKNQ-UHFFFAOYSA-N 274.364 3.563 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 450152818 QMTKWQYGRYRTTI-CYBMUJFWSA-N 291.366 3.756 30 20 CHED Cc1cccc(C2=CCN(c3cc(C#N)ccn3)CC2)c1 367844314 UDCBKMPIGYIRAF-UHFFFAOYSA-N 275.355 3.555 30 20 CHED CN(C)c1cccc(CSc2ccccc2C#N)c1 610340139 PSRXETWJJUYJNH-UHFFFAOYSA-N 268.385 3.917 30 20 CHED C=CCCc1noc(-c2cnc(C(C)(C)C)s2)n1 453245074 GLOITWCYMBVOMZ-UHFFFAOYSA-N 263.366 3.609 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2ncccc2c1 618742155 RYSXDKMDLVPFQP-FQEVSTJZSA-N 299.377 3.884 30 20 CHED C[C@@H](NC(=O)Cc1cccc(C#N)c1)[C@H](C)C1CCCCC1 531392691 MRGLGTMUIBWUHS-LSDHHAIUSA-N 298.430 3.822 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(Cc2cccc3ccccc23)no1 453063123 QCJJYGRFBPHBLY-XIKOKIGWSA-N 289.338 3.615 30 20 CHED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]2CCCC[C@H]21 459872062 GOQGBJOFZDVILC-NXOAAHMSSA-N 291.435 3.539 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)Cc1ccc2ccccc2c1 272426958 PIUUDVUFNZKMAS-LJQANCHMSA-N 294.398 3.827 30 20 CHED CCCN(CC(C)C)C(=O)Nc1cc(C)cc(C#N)c1 456004431 OTKQBIFUXKKHEJ-UHFFFAOYSA-N 273.380 3.767 30 20 CHED C[C@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 274312344 IMCNJNKHXMPIMP-SJKOYZFVSA-N 290.382 3.764 30 20 CHED C=CC(C)(C)CNC(=O)N(C1CC1)[C@@H](C)c1ccco1 458984214 FUQDLYXIQMMSSS-LBPRGKRZSA-N 276.380 3.727 30 20 CHED C=CC1CCN(C(=O)NC2CC(C)(c3ccccc3)C2)CC1 547366331 LMOFIWOEHQHHID-UHFFFAOYSA-N 298.430 3.714 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(Cl)c(C)c1 542470024 KKLNAIGKXAHPSR-CYBMUJFWSA-N 280.799 3.802 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1nc(C(C)(C)C)cs1 459291253 DCTTVOORZGVMKT-UHFFFAOYSA-N 294.424 3.502 30 20 CHED C=C(C)CCNC(=O)CCc1nc(C)c(-c2ccccc2)o1 452725257 RWGVQXBOTUIFQM-UHFFFAOYSA-N 298.386 3.665 30 20 CHED C=CC(C)(C)C(=O)NCCn1ccc2cc(Cl)ccc21 451652274 JETOCUZYUOUCPD-UHFFFAOYSA-N 290.794 3.623 30 20 CHED C=C(C)CCN1CCC2(CC1)OCCc1ccccc12 459491951 DSCMXVPVJNBKHD-UHFFFAOYSA-N 271.404 3.517 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccccc1)[C@@H](C)CC 459003720 OXJSXWQQDNSYCP-HNNXBMFYSA-N 274.408 3.963 30 20 CHED CC(C)(CCC#N)CNc1cccc(Cl)c1C#N 450529837 WIPQPZNTQDSJRI-UHFFFAOYSA-N 261.756 3.954 30 20 CHED CCC(CC)c1noc(CCc2ccc(C#N)cc2)n1 546377808 KZGLNRDRZYXVHZ-UHFFFAOYSA-N 269.348 3.630 30 20 CHED C=CCC[C@H](C(=O)NCCCCCOC)c1ccccc1 274993775 ISHIPGWOFLFMFQ-KRWDZBQOSA-N 289.419 3.669 30 20 CHED C=C(C)CCN1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 463199172 GMYSGRLCWPKMDC-NXOAAHMSSA-N 265.441 3.604 30 20 CHED C/C=C(/CC)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 375468513 LEIURFBPYKACQT-LAAIPGAASA-N 282.387 3.641 30 20 CHED CCO[C@H]1C[C@@H](Nc2c(Cl)cccc2C#N)C12CCC2 462888032 CXUSMCIZKFSFGP-KGLIPLIRSA-N 290.794 3.971 30 20 CHED CC[C@@H](CC(F)(F)F)NC(=O)Nc1cc(C#N)ccc1C 544892729 QVECAJBPVMZKLA-NSHDSACASA-N 299.296 3.719 30 20 CHED N#Cc1cc(NC[C@@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] 281850497 JKWYFKVYKWZQMI-SNVBAGLBSA-N 295.289 3.704 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)C2CCCC2)nc1 554360639 UJUVWHQDZPCCJX-LJQANCHMSA-N 291.398 3.974 30 20 CHED C=CCCCN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 463190511 DNCUOGSOTXYCFR-TWMKSMIVSA-N 265.441 3.604 30 20 CHED C=CCC[C@H](CC)N[C@H](Cc1ccccc1)[C@@H](O)C(F)F 462112241 OBCZAZGZJMNNSG-ARFHVFGLSA-N 297.389 3.558 30 20 CHED N#Cc1ccc(Oc2ccc(Nc3cccnn3)cc2)cc1 557526474 ZZOPSRFTQFBMEJ-UHFFFAOYSA-N 288.310 3.884 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H](C)CCC 463581277 FCHNGZMSDNQESH-CYBMUJFWSA-N 291.391 3.521 30 20 CHED CC(C)N(CC1CCC1)C(=O)c1cc(C#N)ccc1Cl 287156835 RKTXYYUPRBAFDX-UHFFFAOYSA-N 290.794 3.862 30 20 CHED C=C(CC)CNCc1nc2cc(Br)ccc2o1 639239107 FPFSUINIWXLLRS-UHFFFAOYSA-N 295.180 3.646 30 20 CHED C=CCCCCCCCNC(=O)N[C@@H](C)C1CC1 809875413 LNPVMPSNYXDVRP-ZDUSSCGKSA-N 252.402 3.611 30 20 CHED C[C@H](N[C@H]1CCc2nc(Cl)ccc21)c1cccc(C#N)c1 806141655 KSJREUQCHZKJKT-NHYWBVRUSA-N 297.789 3.945 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C(\C)C(C)(C)C 804835207 ZZYGGPXKOBPHIS-FYWRMAATSA-N 269.388 3.641 30 20 CHED CC1(C)CC[C@H]1/N=C/c1cc2ccccc2nc1O 804598916 ROLVCLKYGVEYCZ-NGWPFTMJSA-N 254.333 3.548 30 20 CHED C#CCC(C)(C)c1nc(-c2cccc3[nH]ccc23)no1 290017879 GSZUOSFZKVEJQD-UHFFFAOYSA-N 265.316 3.519 30 20 CHED C[C@H](OC(=O)c1cc(C#N)ccc1Cl)c1cccnc1 803834071 PGKRAEFXTDBVRF-JTQLQIEISA-N 286.718 3.525 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(F)cc(Cl)cc1F 806391413 WZDZOUCQJUCAFK-SECBINFHSA-N 286.709 3.542 30 20 CHED CC[C@H]1CC[C@H](C(=O)NCC(C)(C)CCC#N)CC1 565113839 CNKBTZZYXFZSDL-HDJSIYSDSA-N 264.413 3.649 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@@](C)(C#N)C1CCCCC1 561520862 VVWDTEKHPVKLHQ-XEZPLFJOSA-N 264.413 3.647 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)cc1 809103392 JMYGMPWFYBKAJN-CALCHBBNSA-N 277.323 3.661 30 20 CHED c1cncc([C@@H]2CCCC(=NNCC3CCCC3)C2)c1 808006956 JDVDGFUOLNHZNM-OAHLLOKOSA-N 271.408 3.875 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(CC#N)cc2)[C@@H]2CCC[C@H]21 296486212 XTNIPXUZCDDELN-HZPDHXFCSA-N 297.402 3.795 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1cccc(F)c1Cl 561137536 GYYMXRCRFLOQGC-GOSISDBHSA-N 287.787 3.668 30 20 CHED CC(C)(C#N)CCCSCc1ccc2c(c1)OCO2 478735754 BFHQXYSNMMOBLB-UHFFFAOYSA-N 277.389 3.978 30 20 CHED Cc1ccoc1CN(C)c1nc(C(F)(F)F)ccc1C#N 291632835 BQQSSYVAVUABRL-UHFFFAOYSA-N 295.264 3.510 30 20 CHED C[C@@H]1SCCC1=NNc1nccc2sccc12 814808617 CWPVCJGDFURUAN-QMMMGPOBSA-N 263.391 3.590 30 20 CHED Cc1ccc(SCCNc2cc(C)nc(C#N)c2)cc1 565497765 TXRYHSVQMWARJF-UHFFFAOYSA-N 283.400 3.774 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)CCCC1CC1 812833045 VMBZCHDNRCUDIZ-UHFFFAOYSA-N 293.750 3.706 30 20 CHED Cc1cc(-n2c(C)cc(C=NOCCC3CC3)c2C)no1 814246186 VDWITQHUAKZHOB-UHFFFAOYSA-N 287.363 3.541 30 20 CHED CCc1nc(C(C)C)ccc1COC(=O)C1(C#N)CCC1 815212628 WHJRCEPGFPEWPV-UHFFFAOYSA-N 286.375 3.504 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N[C@@]1(C)CCOC1=O 813296416 UPFCBUKOHUYESB-YOEHRIQHSA-N 297.439 3.585 30 20 CHED C#CCCCN[C@H](Cc1ccccc1Cl)C1CC1 815584804 PNICAPRFTQKVFX-MRXNPFEDSA-N 261.796 3.664 30 20 CHED C=CCC[C@H](CC)NCc1noc(-c2ccccc2C)n1 483306956 JNBLNLFAMNNCOI-AWEZNQCLSA-N 285.391 3.879 30 20 CHED C=C(C)CNC(=O)N1CC[C@](C)(CCc2ccccc2)C1 488649523 SWMXQMVWLZEDHA-SFHVURJKSA-N 286.419 3.617 30 20 CHED CC[C@@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482207804 FWIGJQNQHJFHDH-CYBMUJFWSA-N 294.354 3.879 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCC(C)(C)C1CCCC1 815995557 INZOJYOMVZPLPO-UHFFFAOYSA-N 286.375 3.635 30 20 CHED CCCCn1ncc(N=c2ccc(C#N)c(C)[nH]2)c1C(C)C 487734177 SOEASTGQQKNKNY-UHFFFAOYSA-N 297.406 3.547 30 20 CHED CC(C)OCCON=C1CC[C@H](c2ccccc2)C1 814937174 XFOMONBGYJRROR-HNNXBMFYSA-N 261.365 3.752 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(C#N)o2)cc1 814117904 OFZBAQYIRCXVLM-MRXNPFEDSA-N 294.354 3.827 30 20 CHED CCOC(=O)c1ccc(NN=C(C)c2ccco2)cc1C 812228128 DQUHEVOSMRHCSD-UHFFFAOYSA-N 286.331 3.601 30 20 CHED N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H](c2ccccc2)C1 578193259 WAAXPJGPJPJKHM-KBAYOESNSA-N 281.403 3.746 30 20 CHED Fc1ccc(/C=C\C=NOC/C=C\Cl)cc1F 811668643 IMXSBEAFVYLIBT-DAGHLHJISA-N 257.667 3.733 30 20 CHED C=CCOc1cccc(CN[C@@H](C2CC2)C(F)(F)F)c1 579519796 UCEZCKZJXXJTFJ-AWEZNQCLSA-N 285.309 3.682 30 20 CHED C=C(C)[C@@H](N[C@H](COC)C(C)C)c1ccc(F)c(F)c1 480664555 DQZWJXZMPYZMJE-HZPDHXFCSA-N 283.362 3.843 30 20 CHED Cc1nc(N2CCC[C@H]2c2cccc(F)c2)ccc1C#N 488061243 BTBVIIHVIGTQAA-INIZCTEOSA-N 281.334 3.742 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCCO[C@@H]1CC(C)C 480769694 JMRJKJJEQPZRKP-CAOSSQGBSA-N 253.430 3.770 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N[C@]1(C#N)CC1(C)C 813300995 TUHDEAZMCZZWCJ-CLOOOTJHSA-N 288.778 3.552 30 20 CHED CC(CCCCCCC(=O)O)=NN[C@H](C)C(C)(C)C 814938457 LRLUWKPWXYSUKO-CYBMUJFWSA-N 270.417 3.812 30 20 CHED C=CCCCCNc1cc(C(=O)N(C)C)ccc1Cl 579920166 HZUYZUIEAWJEDX-UHFFFAOYSA-N 280.799 3.810 30 20 CHED C[C@H]1CCC[C@H](C)N1Cc1ccc(Cl)cc1C#N 480780610 OHUDNRBEYHWUQF-RYUDHWBXSA-N 262.784 3.975 30 20 CHED CC1(C)CC(=NNc2cccc(C(F)(F)F)n2)C1 814853311 JPBQCPIKLABNLG-UHFFFAOYSA-N 257.259 3.688 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccc(C#N)s1 487798510 NJUUYXUXHBRBHG-NSHDSACASA-N 264.394 3.708 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)CCCC1 821830711 IMFBWYIXCMWMHP-CVEARBPZSA-N 293.451 3.690 30 20 CHED COc1cccc(C2(CNc3ccc(F)cc3C#N)CC2)c1 573890526 SHZIKNQMURUNKO-UHFFFAOYSA-N 296.345 3.850 30 20 CHED CC(C)C[C@H](C)OC(=O)N[C@@H](C)c1ccc(C#N)cc1 829942464 KBDNXDPMQABLGO-STQMWFEESA-N 274.364 3.780 30 20 CHED CN(CC(C)(C)C#N)C(=O)CC12CC3CC(CC(C3)C1)C2 497447491 UPPUKUPBDUAGFL-UHFFFAOYSA-N 288.435 3.601 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 822729968 DFFLYWMFAMRGGS-UHFFFAOYSA-N 283.375 3.844 30 20 CHED Cc1cc(C=Nn2cnc3ccccc32)c(C)n1C1CC1 725849054 SWYPVYHGUCUVSH-UHFFFAOYSA-N 278.359 3.672 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CCCCCC#N 588160514 ZBUQHXKGMNZZEV-ZIAGYGMSSA-N 264.413 3.791 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cc(Cl)cc(Cl)c1 903106033 LLHPKWXGXFBJHD-VIFPVBQESA-N 269.175 3.948 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 490060378 PUWSZRMMVBBEOR-PXNSSMCTSA-N 297.442 3.999 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1C(=O)O 901883236 CAODFYGATZZRJA-SOUVJXGZSA-N 267.413 3.744 30 20 CHED C=CCNC(=S)N[C@H](CC)c1ccc(Cl)s1 733905517 LWBPDTJELROGQY-MRVPVSSYSA-N 274.842 3.503 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCc1oc(C(C)C)nc1C 905721880 ZKFWQOVNODALQJ-UHFFFAOYSA-N 298.342 3.644 30 20 CHED C=C(C)CCc1noc(-c2ccc(OC(F)F)c(F)c2)n1 580788523 ZYSSBUNCIRFMEE-UHFFFAOYSA-N 298.264 3.986 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)c2ccc(F)cc2Cl)C1 580398381 VGXPQEFQNJHDDV-KGXJWFGYSA-N 294.757 3.596 30 20 CHED C#CCN(C(=O)c1cc2cc(F)ccc2o1)C1CCCCC1 735435483 XHISUOJRQXIQMN-UHFFFAOYSA-N 299.345 3.980 30 20 CHED C#CCOc1ccccc1NC(=O)C1CCC2(CC1)CC2 832448821 OMUBAXCOORBNPB-UHFFFAOYSA-N 283.371 3.608 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@]2(C)CC=CCC2)cc1 839193787 YFVRKRWQGFFPFT-RHSMWYFYSA-N 270.376 3.566 30 20 CHED Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(CCC#N)CC2)cc1 584841492 PFTYEYLXRXPOIB-ROUUACIJSA-N 296.414 3.641 30 20 CHED C#C[C@@H](NC(=O)Nc1nc(C2CC2)cs1)c1ccccc1 831127081 AVSNTCKBRYKDPR-CYBMUJFWSA-N 297.383 3.517 30 20 CHED C#CCN(Cn1ccc(-c2ccsc2)n1)C1CCCCC1 731661889 VRQKUIQDVXIBTE-UHFFFAOYSA-N 299.443 3.837 30 20 CHED Cc1cccc2cc(C(=O)O[C@H]3CCC[C@H](C#N)C3)oc12 839049103 HISVLIBWZVSULI-JSGCOSHPSA-N 283.327 3.980 30 20 CHED C=CCC(F)(F)C(=O)N1c2ccccc2CC[C@@H]1C 839220444 JBPQGXOPETVPCW-NSHDSACASA-N 265.303 3.566 30 20 CHED C=CC[C@H](NC(=O)c1cc(C)sc1C)c1ccncc1 734233872 BALBZCDCBARQMF-HNNXBMFYSA-N 286.400 3.807 30 20 CHED CCC1CCC(N(C)C(=O)c2ccsc2C#N)CC1 901955665 CARNDSHGZKBHGT-UHFFFAOYSA-N 276.405 3.661 30 20 CHED CC(=NOC/C=C\c1ccc(Cl)cc1)c1cnn(C)c1 588557543 QHOMQFYTMDPHNR-JNKIZFHCSA-N 289.766 3.528 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)CSc2ccc(F)cc21 588523665 MYYHNRRCEFKRPU-BJMVGYQFSA-N 289.306 3.732 30 20 CHED CCCCC(CC)=NNc1nc2ccccc2n1C 732924619 ARDDQXGJZHWFPC-UHFFFAOYSA-N 258.369 3.941 30 20 CHED CCC1(CC)[C@H](N[C@H]2CCc3ccc(C#N)cc32)C[C@H]1OC 583901733 PYLOKNGEMIIVFJ-RCCFBDPRSA-N 298.430 3.729 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccc(C)c(C)c1 731322138 ZCAFXMPOJMYCJV-UHFFFAOYSA-N 257.312 3.674 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)n1 589741056 XWDCXUZAQIOFSR-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C#CCC1(C(=O)N2CC[C@H](C3CCC3)C2)CCCCC1 839949705 VGAMBMOXWUJNIZ-INIZCTEOSA-N 273.420 3.609 30 20 CHED Cc1ccc(C(=O)N(C2CC2)[C@@H](C)C#N)c(Cl)c1Cl 598134186 FUGOMWVNXVHZEG-VIFPVBQESA-N 297.185 3.819 30 20 CHED C=C[C@@H](CC(=O)OCCc1ccc(C)cn1)c1ccccc1 835906495 DEQXEFUNCJITHP-INIZCTEOSA-N 295.382 3.836 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2ccc(CC(=O)O)cc2)C1 848413981 GWPVWLHDTGXMBZ-HIFRSBDPSA-N 288.391 3.928 30 20 CHED CSC[C@@](C)(C#N)NC(=O)C1CC(C)(C)CC(C)(C)C1 598839778 IQFCMHSGOQLHBR-MRXNPFEDSA-N 296.480 3.600 30 20 CHED Cc1ccc(N=Cc2cccc(O)c2O)c2cccnc12 912782307 IZCNNURGVLJKOK-UHFFFAOYSA-N 278.311 3.705 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1C)C2 747441576 WGVWEUIUMKHNNO-OQLLNIDSSA-N 264.324 3.826 30 20 CHED CCC(=NNc1ccccc1CC)C1CCOCC1 745199896 GVJGBOMRYPSMSC-UHFFFAOYSA-N 260.381 3.854 30 20 CHED CCN(CCCCC(C)(C)C#N)[C@H](C)C(=O)OC(C)(C)C 595608225 YZALXEMCHKHKRF-CQSZACIVSA-N 296.455 3.759 30 20 CHED C#CC[C@H](OC(=O)c1ccc(C(F)F)cc1F)C(C)C 847659447 PKSPCKIPQPGWLV-ZDUSSCGKSA-N 284.277 3.968 30 20 CHED C=CCN(C(=O)NCc1cc2c(s1)CCCC2)C(C)C 918082175 LJOGLXWMOKQTSC-UHFFFAOYSA-N 292.448 3.733 30 20 CHED CC(C)[C@@H](CN=C(N(C)C)N(C)C)c1ccc(Cl)cc1 849051026 SGMHQVJDJAFWQU-OAHLLOKOSA-N 295.858 3.559 30 20 CHED CCCCCCCC(=O)NCc1cn2cc(C)ccc2n1 918378316 QJGAIZKHBILCRB-UHFFFAOYSA-N 287.407 3.619 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CO[C@@H](C)C2)cc1 842927696 FQVNHZGXTNFBBG-YDHLFZDLSA-N 295.810 3.646 30 20 CHED C=C(C)CONC(=O)Nc1ccc(N(C)CCCC)cc1 844531700 GZNUZZPBACIHJH-UHFFFAOYSA-N 291.395 3.552 30 20 CHED CC(C)(C#N)C[C@H](O)CNC1CCC2(CCCCC2)CC1 598722759 ALESQIYGZZMBMI-INIZCTEOSA-N 292.467 3.770 30 20 CHED C[C@H](CC(=O)Nc1cc(C#N)ccc1O)CC(C)(C)C 748410337 JFZCJWXBVBIZMQ-LLVKDONJSA-N 274.364 3.665 30 20 CHED N#CCCCCN1CCC[C@H](c2ccc(F)c(F)c2)C1 599516625 WKTCHOWXKFTUQE-AWEZNQCLSA-N 278.346 3.838 30 20 CHED C[C@@H](NN=Cc1ccc2ccccc2n1)c1ccccc1 741461990 VVCHAHYDHYFEOH-CQSZACIVSA-N 275.355 3.920 30 20 CHED C=CCCN(C)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 682416190 CCUXGANRORIFSR-CQSZACIVSA-N 298.390 3.532 30 20 CHED CCN(CCc1cc(Cl)cc(Cl)c1)[C@@H](C)C#N 595821606 XGBABYSVCAODCZ-JTQLQIEISA-N 271.191 3.770 30 20 CHED CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 593981812 UIPYAQMOPBJVOZ-HOTGVXAUSA-N 298.430 3.776 30 20 CHED CCCCCCCC(=O)NC1CCN(CCCC)CC1 744364997 LIPWLCVFTLSTNI-UHFFFAOYSA-N 282.472 3.728 30 20 CHED C=CCN(C)C(=O)c1cnc(-c2ccc(C)cc2C)s1 681674274 JDHPYPZKNLSZON-UHFFFAOYSA-N 286.400 3.685 30 20 CHED Cc1ccsc1C(Cc1ccccc1)=NNCC(F)F 740617384 HLVHQBQZXWDBFE-UHFFFAOYSA-N 294.370 3.858 30 20 CHED C=CCC1(NC(=O)Nc2ccc(N)cc2)CCCCC1 841298215 NVNFXEZVLMYLTE-UHFFFAOYSA-N 273.380 3.669 30 20 CHED COCCN(CCCCC1(C#N)CCC1)C1CCCC1 929333122 VWAMIVOBTKSPIJ-UHFFFAOYSA-N 278.440 3.742 30 20 CHED Cc1noc(C)c1C=NNc1ccc(C(F)(F)F)cc1 746575362 BSNQMCAIBLYVJL-UHFFFAOYSA-N 283.253 3.756 30 20 CHED C=C[C@@H](CC(=O)OCc1ccc(C)cn1)c1ccccc1 758912344 MVYSUVBDWKYOGZ-HNNXBMFYSA-N 281.355 3.793 30 20 CHED C=CC(C)(C)CCOC(=O)C(C)(C)C1CCOCC1 851299940 GEFFCQFYIWRMPD-UHFFFAOYSA-N 268.397 3.585 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2cnccc2c1 851206780 WTPLLIJKWRKIBE-LBPRGKRZSA-N 282.343 3.720 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)n1 850736801 NJZXQXHJHVGHIH-RFQIPJPRSA-N 288.416 3.844 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c(Cl)cccc21 683788104 GWHBVGMPAPOTIE-IUODEOHRSA-N 289.806 3.937 30 20 CHED COc1cccc(/C=N/CC2CCC(C)CC2)c1O 920174465 NDLZWADXQRPUCH-GZTJUZNOSA-N 261.365 3.646 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1cc(O)ccc1O 757467220 BYAZDXJCIADYRL-VURMDHGXSA-N 291.306 3.542 30 20 CHED CO[C@H](C=NNc1ccnc2cc(Cl)ccc12)C1CC1 853259434 ZNQDXVRDPBUBDW-OAHLLOKOSA-N 289.766 3.711 30 20 CHED CC(C)c1cccc(CON=C2CCCOCC2)c1 853686405 ZEJCYCKGWPOGKI-UHFFFAOYSA-N 261.365 3.883 30 20 CHED Cc1cc(C)cc([C@H](NCCCC#N)c2cccnc2)c1 926134319 XJLOKCPEOAOSBH-GOSISDBHSA-N 279.387 3.681 30 20 CHED C=C(C)CNC(=S)NC(C)(C)c1ccc(CC)cc1 751444805 DWJOBCYKVGPIKY-UHFFFAOYSA-N 276.449 3.524 30 20 CHED C=CC(C)(C)CCOC(=O)/C=C/c1scnc1C 851300591 WRFOXYJOGCDPJQ-VOTSOKGWSA-N 265.378 3.610 30 20 CHED N#Cc1cccc(NN=C/C=C/c2ccc(F)cc2F)c1 758104305 NULFVDZEYYOHPW-DEJOLYJJSA-N 283.281 3.948 30 20 CHED O=C1CCC[C@H]1CCON=C(c1ccccc1)C(F)(F)F 751966613 ZMISJZGOTWZBNG-NSHDSACASA-N 299.292 3.729 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1c(F)cc(F)cc1F 926489542 PXVPPLBDZRRHGG-SECBINFHSA-N 270.298 3.522 30 20 CHED CCCCCCCCCC(=O)N(C)CC1=CCCOC1 855739881 KHOQVGUPPJWLJW-UHFFFAOYSA-N 281.440 3.932 30 20 CHED N#Cc1ccccc1COC(=O)c1cc(Cl)cs1 758732855 WOPVUBVKGBEBIP-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CC(=NNc1cc(C)ncn1)c1sc(C(C)C)nc1C 751133579 QEYGHLMFOOXVOP-UHFFFAOYSA-N 289.408 3.509 30 20 CHED Oc1ccc(/C=N\Cc2ccc(C3CCC3)cc2)c(O)c1O 754822770 NSRMJCAYJPUNTR-ODLFYWEKSA-N 297.354 3.690 30 20 CHED CCCCCCCCN1C=Nc2ccccc2S1(=O)=O 750952500 UHRUOLROWBYHAB-UHFFFAOYSA-N 294.420 3.711 30 20 CHED CC(C)(C=NNc1oc(C(C)(C)C)nc1C#N)CCC#N 755673821 FCIWADVRRFTJCL-UHFFFAOYSA-N 287.367 3.571 30 20 CHED CCCCC[C@@H](NC[C@H](O)CC(C)(C)C#N)C(C)(C)C 856733943 JVCWYXAFEFXVMX-HUUCEWRRSA-N 282.472 3.872 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccncc1 756583492 OFFSUBDHSHADKF-SUMWQHHRSA-N 298.386 3.764 30 20 CHED Cc1ccc(-c2nc(CN(C)C[C@H](C)C#N)cs2)cc1 49001169 MYQVZRVOVWVWJY-CYBMUJFWSA-N 285.416 3.710 30 20 CHED CON(C(=O)CCCCCC#N)[C@@H](C)c1ccccc1C 854520522 HFQUMWQJMIBCQH-HNNXBMFYSA-N 288.391 3.920 30 20 CHED C=C(Cl)CN1CCc2nc(-c3ccccc3)sc2C1 852474823 CWLHUVGUNHMRMN-UHFFFAOYSA-N 290.819 3.921 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 932551067 DWYTYXKIIWXODV-TZMCWYRMSA-N 292.448 3.890 30 20 CHED CCOC(=O)c1[nH]c(C)c(C=NNc2ccc(C)cc2)c1C 863065009 VBJATLYMNYUFNF-UHFFFAOYSA-N 299.374 3.563 30 20 CHED C#CCCc1noc(-c2ccc(-c3ccccc3)cc2)n1 762013198 CFESLEXUJRBRJJ-UHFFFAOYSA-N 274.323 3.969 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H](c2ccccc2)C1 931141472 DYFZJRHDENZNCO-HOCLYGCPSA-N 257.377 3.605 30 20 CHED CCCCCCC(=O)OCc1ccc(C#N)cc1OC 766880648 KVQPBVSKAULCRC-UHFFFAOYSA-N 275.348 3.580 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(OCC#N)cc1 764432686 GURWILFRJOKITN-VOTSOKGWSA-N 299.351 3.555 30 20 CHED Fc1ccc(NN=Cc2cnc(C3CC3)s2)c(F)c1 761793528 MTZPZCLXEWHQSX-UHFFFAOYSA-N 279.315 3.745 30 20 CHED FC(F)C1CC(=NNc2ccccc2Br)C1 766017253 FFSDSZOLXVIPTL-UHFFFAOYSA-N 289.123 3.892 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)OCc1ccc(CC#N)cc1 769177557 RJIOAWVSIOSYEX-XJKSGUPXSA-N 271.360 3.622 30 20 CHED C#C[C@H](CC)OC(=O)c1csc(-c2ccccc2C)n1 768047700 HMFWFEOWFJFGSJ-GFCCVEGCSA-N 285.368 3.687 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)CC#Cc1ccccc1 1116272293 ZTFKQBWYOOAMIG-MSOLQXFVSA-N 283.415 3.903 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2ccccc2Cl)ccc1F 769829695 INRDPGRPJCXKMC-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 1117770991 VEWJCSIVPDSIRA-GDBMZVCRSA-N 285.387 3.599 30 20 CHED C#CCCCOC(=O)c1ccc(-c2ccco2)s1 766283073 IIPRIVSTHOVQGJ-UHFFFAOYSA-N 260.314 3.578 30 20 CHED CC[C@@H]1CCCCC1=NNCCc1ccc(OC)cc1 779771146 GRBKDXOENNCRMK-OAHLLOKOSA-N 274.408 3.784 30 20 CHED CCCN(Cc1ccc(C#N)c(C)c1)c1ccc(CN)cc1 775140985 SJQHBJPVYPNQCG-UHFFFAOYSA-N 293.414 3.742 30 20 CHED N#CC1(c2ccc(-c3cnn([C@H]4CCCCO4)c3)cc2)CC1 871886160 CAKMPQLARDTHTE-QGZVFWFLSA-N 293.370 3.804 30 20 CHED FC(F)(F)CCON=C[C@H]1CCc2ccccc21 777460150 VKGWMOXSDYBDMY-LLVKDONJSA-N 257.255 3.671 30 20 CHED Fc1ccc([C@@H]2CCCC2=NOC2CCOCC2)cc1 774434938 RXLFGFPRQZLCBO-HNNXBMFYSA-N 277.339 3.645 30 20 CHED N#CCc1cccc(N2CCC[C@H]2c2cccs2)n1 1116285168 CICMIDMIAUSCNX-ZDUSSCGKSA-N 269.373 3.551 30 20 CHED C#C[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 773598833 OPGAUKHUPBMTCM-YOEHRIQHSA-N 298.430 3.852 30 20 CHED C=C(C)[C@@H](NCc1ocnc1C)c1ccc(F)c(F)c1 1119605496 UDMPNGJOWYLKDW-OAHLLOKOSA-N 278.302 3.668 30 20 CHED C=C(CC)COC(=O)CCc1cn(C)c2ccccc12 773533851 YVXIIRHRBCDSFH-UHFFFAOYSA-N 271.360 3.620 30 20 CHED CCC[C@H](C)CC(=O)O[C@H](C#N)C1CCCCC1 776382176 AJCBMBSDSBRTSE-GXTWGEPZSA-N 251.370 3.828 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C#N)c(Cl)c1 779728739 WFHFVOMDACDZOO-UHFFFAOYSA-N 274.751 3.734 30 20 CHED C#C[C@@H](C)N(C)Cc1cc(Cl)cc(C(F)(F)F)c1 775184523 XEGZYWMGKGAOCV-SECBINFHSA-N 275.701 3.812 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1F 776728045 CCDCPGOXTMQOOY-KXFIGUGUSA-N 287.240 3.872 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 1120608039 KNURXSPKNBWFCA-CYBMUJFWSA-N 284.359 3.875 30 20 CHED Cc1ccc(-c2n[nH]cc2C=NOC2CCCC2)cc1 774607798 LBBCBUYKKRVFLN-UHFFFAOYSA-N 269.348 3.678 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(C2CC2)cc1 771551600 DTBYMUYGCNSBGP-CQSZACIVSA-N 286.419 3.789 30 20 CHED CC(=NNc1ccccc1Br)[C@H]1CCCOC1 779769583 YVCZGEDESSDOTJ-NSHDSACASA-N 297.196 3.664 30 20 CHED C#Cc1cccc(N(C(=O)CC[C@H](C)SC)C(C)C)c1 773379889 WMVOMKZMMWWKJV-AWEZNQCLSA-N 289.444 3.941 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=Nn1cnc2ccccc21 773191442 SAFCIEAVHMVUBE-ZIAGYGMSSA-N 253.349 3.863 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)c1cc2ccccc2o1 1128133767 LOVOUKNATBELPD-JTQLQIEISA-N 296.351 3.857 30 20 CHED CC(=NNc1nc(-c2ccccc2)cs1)[C@@H]1CCCO1 783815191 CDTIJXLFRWOEGK-AWEZNQCLSA-N 287.388 3.777 30 20 CHED Cc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)c(C#N)n1 882469325 WRGXUMLRHPJYNM-INIZCTEOSA-N 288.354 3.623 30 20 CHED CCc1cccc(CON=Cc2ccccc2F)c1 786738124 GSDMNYZSCUIHLA-UHFFFAOYSA-N 257.308 3.939 30 20 CHED N#Cc1cccnc1Oc1cc(C(F)(F)F)ccc1F 75914742 CPPNLCCEIJSJPF-UHFFFAOYSA-N 282.196 3.903 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H]2CCCC[C@H]2C)n1 783850680 WABRSQHKCBEVLK-KOLCDFICSA-N 266.776 3.662 30 20 CHED CCCCCC[C@@H](C)C(=O)N(CC#N)c1ccccn1 892470137 LVXHMWZDVAVMBZ-CQSZACIVSA-N 273.380 3.545 30 20 CHED N#CCCN(Cc1ccc(Cl)cc1)Cc1ccco1 78665822 FGNUQGZJDJFTIW-UHFFFAOYSA-N 274.751 3.849 30 20 CHED C=CC[C@H](NC(=O)N1CCC(C2CC2)CC1)c1ccncc1 893044321 GHKGRQGRXRJSCX-KRWDZBQOSA-N 299.418 3.530 30 20 CHED N#CCSCCCN1CCC2(CCCCC2)CC1 80628063 GPBAAMQVIMXYDV-UHFFFAOYSA-N 266.454 3.680 30 20 CHED COc1cccc([S@@](=O)CCCCC2(C#N)CCC2)c1 899276996 NNLCMACIONTBIZ-FQEVSTJZSA-N 291.416 3.667 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)ccc1F 83204160 OGOUQTCCULDAPR-RUDMXATFSA-N 284.286 3.728 30 20 CHED C#C[C@@H](CCC)NC(=O)c1sc(-c2ccccc2)nc1C 791212754 KTEILDRCZKSXIE-AWEZNQCLSA-N 298.411 3.650 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cnc(F)cc1C 891652003 AIRVZTFUJOQOCA-UHFFFAOYSA-N 297.377 3.813 30 20 CHED COc1cccc(/C=C2\CCCC(C)(C)C2=O)c1F 799891198 ASTJYCXFAWLXSX-ZRDIBKRKSA-N 262.324 3.997 30 20 CHED N#CCCN(CC1CC1)CC1CCC(C(F)(F)F)CC1 185509692 OYVFNZNKVJNUCT-UHFFFAOYSA-N 288.357 3.981 30 20 CHED C[C@@H](NN=C/C=C/c1ccc(F)c(F)c1)C(C)(C)C 793113584 AYCYAODYZMTTMB-KVXIEKIESA-N 266.335 3.988 30 20 CHED Fc1cccc(NN=C2CC[C@@H]2c2ccccc2)n1 795008537 KNYLPFFIOYMMDE-GFCCVEGCSA-N 255.296 3.566 30 20 CHED C#C[C@@H](NC(=O)Nc1ncc(-c2ccccc2)s1)C(C)C 799182274 OBJCXRIDZOVEJK-CYBMUJFWSA-N 299.399 3.589 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)c(Cl)[nH]2)n1 795774462 ILKJZEABKFSPEH-UHFFFAOYSA-N 272.135 3.880 30 20 CHED CC(C)C[C@@H](C)C=NNc1ncnc2sccc12 799107106 AODRUWVCPJWCSU-SNVBAGLBSA-N 262.382 3.771 30 20 CHED CCCCCCCCCCCC(=O)N1CCC[C@H](O)C1 59090211 SOXUQSKXYHMSQG-INIZCTEOSA-N 283.456 3.891 30 20 CHED C[C@@H](OC(=O)C1CC(C)(C)C1)c1cccc(C#N)c1 796964409 ZDAJWGYYZIAUEJ-LLVKDONJSA-N 257.333 3.599 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCOC1CCC1 690985896 JRGXIIUJEWIENR-UHFFFAOYSA-N 284.281 3.558 30 20 CHED C#CCCCN[C@H](c1ccc(Br)s1)C1CC1 190612664 KOJPDGRLBUFDEB-ZDUSSCGKSA-N 298.249 3.965 30 20 CHED CCCCCCCS(=O)(=O)Nc1ncccc1C(C)C 799641028 WJABOLASBAOZDC-UHFFFAOYSA-N 298.452 3.917 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2sccc2Br)C1 192977968 GVHYKWOJUUYZDC-ZJUUUORDSA-N 299.237 3.683 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@H]1Cc2ccccc2O1 62785337 AFUKAUYGXIENJY-CQSZACIVSA-N 284.746 3.627 30 20 CHED C[C@@H]1CC[C@H](CNCc2ccc(O[C@H](C)C#N)cc2)C1 793346731 JOHLTUSFHWNJEB-FMKPAKJESA-N 272.392 3.503 30 20 CHED C=CCC1(C(=O)NCC(CC)(CC)SC)CCC1 790682387 CCHGOCUTPMIDFY-UHFFFAOYSA-N 269.454 3.771 30 20 CHED COc1cccc(/C=C2/CCc3c(O)cccc3C2=O)c1F 799891685 ICPKKBCRHYBKCI-BENRWUELSA-N 298.313 3.752 30 20 CHED C#C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(C)C 799045853 VEJNFOVUZNJDLP-HOTGVXAUSA-N 291.822 3.854 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714395149 QJDVNOZDIRTWNO-XUWVNRHRSA-N 261.409 3.511 30 20 CHED C=CCCCCC[C@H](C)NCc1csc(N(C)C)n1 793535025 OLTKYAPWDBMXDM-ZDUSSCGKSA-N 281.469 3.824 30 20 CHED C=CCCCCC[C@@H](C)Nc1cccc(C(N)=O)c1 793540678 BEROMJJEHHLLAE-CYBMUJFWSA-N 260.381 3.722 30 20 CHED C[C@]1(C=NNc2ncccc2C(F)(F)F)CCCS1 792973972 PGYRXOMMVXENNN-LLVKDONJSA-N 289.326 3.784 30 20 CHED Cc1nc(N2[C@H]3CC[C@H]2CC(C)C3)c(Cl)cc1C#N 596538470 TVEKZQRXQRIALL-STQMWFEESA-N 275.783 3.682 30 20 CHED Cc1cnc([C@@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)o1 795985680 MEEWUZDPHVWOLA-UKRRQHHQSA-N 298.342 3.675 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC(C(C)C)C(C)C)c1 1219115290 HZSZJKCKMRFZRE-UHFFFAOYSA-N 287.407 3.916 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1319645106 BAGKHTGQBWRPHW-LLVKDONJSA-N 299.773 3.639 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC2Cc3ccccc3C2)n1 1161756308 LLYOOBAHKPGVTQ-UHFFFAOYSA-N 291.398 3.830 30 20 CHED CC1(C)CN(Cc2ccc(Cl)cc2C#N)C1(C)C 1321395535 ZOBVNNROJOCSKM-UHFFFAOYSA-N 262.784 3.832 30 20 CHED C=C(C)C(C)(C)c1nnc([C@@H](C)CN2CCC(C)CC2)o1 1327845715 GOJQGRFUSFWBIX-AWEZNQCLSA-N 291.439 3.759 30 20 CHED C=CCOc1ccc(-c2nnc([C@H](C)CC)o2)cc1OC 1326232348 MKEMXSQAXQYAKN-LLVKDONJSA-N 288.347 3.824 30 20 CHED CC[C@@H](C)N(C(=O)c1csc(C#N)c1)[C@H](C)CC 1324990040 QKDKVPZSVXMHKI-GHMZBOCLSA-N 264.394 3.659 30 20 CHED C=CCC1(C(=O)OCc2ccc(C#N)cn2)CCCCC1 1325796223 VBLULYRPKRJILA-UHFFFAOYSA-N 284.359 3.523 30 20 CHED Cn1cc(C=NOC(C)(C)C)c(-c2cc3ccccc3o2)n1 1253788703 IPDZZVROBRRGII-UHFFFAOYSA-N 297.358 3.982 30 20 CHED CCCC1(CNC(=O)CC#Cc2ccccc2)CCC1 1333003390 KRMPWTKSUSMKHI-UHFFFAOYSA-N 269.388 3.515 30 20 CHED CCc1ccc(C(C)=NNc2ccc(C(C)(C)C)nn2)o1 1252684615 FIMLHZCGHBOTCX-UHFFFAOYSA-N 286.379 3.766 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC[C@H](C#N)CCC#N 1335351902 QZOUSLGQEIFHPR-ZNMIVQPWSA-N 261.413 3.624 30 20 CHED CCN(Cn1cc(-c2ccccc2)oc1=S)[C@H](C)C#N 1330664096 GLNFKJACXFIYDA-GFCCVEGCSA-N 287.388 3.669 30 20 CHED C=C(C)CCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 1337060207 LKJRPSHTXPPUOQ-HNNXBMFYSA-N 288.435 3.588 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCCc1ccc(C)s1 1337715759 JYEQZRJMYFRCMZ-CYBMUJFWSA-N 278.421 3.530 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc(OC3CCCC3)cc2)C1 1344016998 KJMIXPYPLAHHBS-GUYCJALGSA-N 299.370 3.857 30 20 CHED CC1(C(=O)OCCC(F)(F)C(F)(F)F)CC(F)(F)C1 1344804467 PPUFPAAJYRVNQI-UHFFFAOYSA-N 296.182 3.553 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)CCCC1CCCCC1 1349703037 UZXRFUYXWPEPIH-OAHLLOKOSA-N 287.407 3.830 30 20 CHED N#C[C@@H](C(=O)C=C1CCCC1)c1nc2cccc(Cl)c2[nH]1 1344930486 NTVXSIWZDNGVGF-NSHDSACASA-N 299.761 3.893 30 20 CHED C=C(CC(C)C)C(=O)Nc1nn(-c2ccccc2)cc1C 1345904729 GCYWERHXLSIOQR-UHFFFAOYSA-N 283.375 3.722 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(-c2ccccc2)s1 1347719103 ZZDDTABTVIKIIA-UHFFFAOYSA-N 296.395 3.957 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 1519686450 HKKQBLCEZKLUCJ-HOCLYGCPSA-N 257.377 3.808 30 20 CHED Cc1ccc(SCCc2ccccc2C(=O)O)c(C#N)c1 1600485639 RPXZEWZKPTXSFR-UHFFFAOYSA-N 297.379 3.900 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2cnccc2c1 1533221224 NMBANQQTZVVVHG-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=Cc1ccccc1NC(=O)NCc1ccc(C#N)cc1F 1467151430 HTPBZHGRTFIGST-UHFFFAOYSA-N 295.317 3.662 30 20 CHED N#CCc1ccccc1C(=O)Nc1cccc2cnccc12 1539937058 XYGKHGGYIHCBAU-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CCC1CCC(CNC(=O)c2csc(C#N)c2)CC1 1534620532 DMKOZOZKPBLPFA-UHFFFAOYSA-N 276.405 3.566 30 20 CHED COc1cc(CN2CCc3ccc(Cl)cc32)ccc1C#N 1474431976 QGRDIWQNMSDLFQ-UHFFFAOYSA-N 298.773 3.783 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 1472775298 VZJIAAOPNTYZGU-HIFRSBDPSA-N 296.349 3.544 30 20 CHED CC[C@@H](C)[C@H](C)Nc1ncc(C#N)cc1Br 1612006971 KSDXCUXVQMDLFE-BDAKNGLRSA-N 282.185 3.562 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1C[C@@H]2CCC[C@@H]21 1474430777 POCHVGHFJWMHSE-IHRRRGAJSA-N 256.349 3.557 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1C1CCC1 1543963486 YBTQXVRXTFNIJV-LSDHHAIUSA-N 297.402 3.755 30 20 CHED Cc1cc(C#N)cc(NCc2cccn2C(F)F)c1 1621390289 OXXNKEJOQFMDIN-UHFFFAOYSA-N 261.275 3.675 30 20 CHED C#CCCCNc1ccc(Cl)c(Br)c1 161059387 LKMUKOBSNWAUAP-UHFFFAOYSA-N 272.573 3.928 30 20 CHED N#Cc1ccc(COc2cccc(C(F)(F)F)n2)s1 1559386426 QEHCSHWSVITVLG-UHFFFAOYSA-N 284.262 3.613 30 20 CHED N#C[C@@H]1CC[C@H](S[C@H]2CCOc3ccccc32)C1 1640989898 CZUNPABYHUBXFI-XUJVJEKNSA-N 259.374 3.936 30 20 CHED C#CCCCCN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21 230668470 FBOUACCWWLYKDU-KGLIPLIRSA-N 257.377 3.642 30 20 CHED CO[C@H]1CCC[C@H](Sc2cccc(F)c2C#N)C1 1641163001 PKMLNYPTDWDSHX-QWRGUYRKSA-N 265.353 3.747 30 20 CHED Cc1cc(C(C)(C)C)cc(C)c1Cn1ccc(C#N)cc1=O 1641285980 HXSLRSUNCBLTQU-UHFFFAOYSA-N 294.398 3.683 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1Cc1cccc(C#N)n1 1659476040 UWDGAMNNERHJLB-GOSISDBHSA-N 291.398 3.721 30 20 CHED N#Cc1ccc(Sc2[nH]cnc3nc(Cl)cc2-3)cc1 1651408503 OFLIXZJSTMEAAW-UHFFFAOYSA-N 286.747 3.586 30 20 CHED Cc1csc(NC(=O)Nc2cccc3c2CCO3)c1C#N 1661564253 SODYJWWYSGQCCJ-UHFFFAOYSA-N 299.355 3.507 30 20 CHED CC[C@@H]1c2ccccc2CCN1C[C@@H](C)CCC#N 1663618485 QSOLJHGHTLKHRQ-WMLDXEAASA-N 256.393 3.936 30 20 CHED C=CCCCCN(C)[C@@H](C(=O)O)c1ccccc1Cl 1776173635 IIFMWVVREHHTQU-CQSZACIVSA-N 281.783 3.754 30 20 CHED CC[C@@H](C)CON=Cc1ccc2oc(C(=O)O)cc2c1 1776112432 ZZTQARXFPCVACW-SNVBAGLBSA-N 275.304 3.528 30 20 CHED CC(C)(C)c1nocc1/C=C/C(=O)c1cccc(C(=O)O)c1 1776285836 NBGQEMNOWPPHGN-BQYQJAHWSA-N 299.326 3.566 30 20 CHED C=CCC1(C(=O)O)CCN([C@H](C)c2ccccc2C)CC1 1776157336 BZKLMTIUACCPTN-OAHLLOKOSA-N 287.403 3.799 30 20 CHED CC1(C)CCC/C(=C/c2c(F)cc(C(=O)O)cc2F)C1=O 1776550787 HAFGVUXJESQLIT-TWGQIWQCSA-N 294.297 3.826 30 20 CHED N#Cc1ccc(OC(=O)/C=C/Sc2ccccc2)cc1 15578452 BPCFWSFSOMPXCR-ZHACJKMWSA-N 281.336 3.770 30 20 CHED C=CCN(C)C(=O)C1(c2ccc(OC)cc2)CCCCC1 161456621 OBFPWIINRAVVRE-UHFFFAOYSA-N 287.403 3.542 30 20 CHED Cc1ccsc1CCCC(=O)N(C)c1cccc(C#N)c1 162990893 CIBVBQVYVYZEAX-UHFFFAOYSA-N 298.411 3.914 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2)cc1 158287189 RGUDJNDWJZTUSZ-JXMROGBWSA-N 266.296 3.589 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@]2(CCNC2)C1 158920564 HGZIKFOLIKVMCE-GOSISDBHSA-N 294.483 3.729 30 20 CHED C=CCC[C@H](NCc1ccn(C)c1)c1ccccc1 160037117 FMLLDTCQIUGZOO-KRWDZBQOSA-N 254.377 3.822 30 20 CHED Cc1ccccc1[C@H](C)Sc1nc(N)c(C#N)cc1C#N 151024993 DHOOAYONERQDOM-NSHDSACASA-N 294.383 3.569 30 20 CHED CN(CC1CCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 151362908 UXFNLYZTKNUBJH-QGZVFWFLSA-N 299.418 3.863 30 20 CHED CO[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 157529151 OCUFZWLIOOQORE-UONOGXRCSA-N 298.308 3.947 30 20 CHED CCCCCCCCC(=O)N(C)c1ccc(Cl)nn1 155589777 MPMLSDDYFBXDCB-UHFFFAOYSA-N 283.803 3.843 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3[nH]ccc23)cc1Cl 155744567 DCVCWSXSAWCZLA-UHFFFAOYSA-N 295.729 3.945 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1C1CCCCC1 154976507 HOYHSOPLGTXZPM-INIZCTEOSA-N 276.424 3.544 30 20 CHED C=CCC[C@@H](NCC(=O)Nc1ccccc1)c1ccccc1 159943175 GSWAGNYCOFHOMG-GOSISDBHSA-N 294.398 3.922 30 20 CHED C=CCCCCNC(=O)C[C@H](C)c1cccc(OC)c1 274673863 YKODRQGAECBEKC-AWEZNQCLSA-N 275.392 3.661 30 20 CHED N#Cc1c(F)cccc1NCCCOC1CCCCC1 61174283 YEIJKXAHGMDSRA-UHFFFAOYSA-N 276.355 3.849 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C(F)F)cc1 885581650 QYZCNJNFKKXLRB-UHFFFAOYSA-N 251.276 3.612 30 20 CHED COc1cccc([C@@H](C)NCCCC(C)(C)C#N)c1 148245399 TXJZZWZPOSLFGF-CYBMUJFWSA-N 260.381 3.676 30 20 CHED N#Cc1ccc(N2CCC[C@H](C3CCCCC3)C2)nc1 34418063 KZOZWNREVHFQHT-INIZCTEOSA-N 269.392 3.750 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(Cl)c([N+](=O)[O-])c1 43416395 IYUBZIRYQGERBU-UHFFFAOYSA-N 295.770 3.620 30 20 CHED N#Cc1cccc(COc2cccc3ncccc23)c1 179964324 LLZPFXMKTVREMX-UHFFFAOYSA-N 260.296 3.685 30 20 CHED C=CC[C@@H](CC)NCc1cccc(Br)c1O 309489708 WRPRQUQHMSZVMG-LLVKDONJSA-N 284.197 3.599 30 20 CHED Cc1ccc(C#N)cc1OCCCCC1CCOCC1 312225388 HKNDXVLEUNJQLU-UHFFFAOYSA-N 273.376 3.842 30 20 CHED CSCCCSc1nc(C)c(C#N)cc1Cl 320021846 WGXJLDCIGOJQPJ-UHFFFAOYSA-N 272.826 3.760 30 20 CHED N#Cc1ccc(CN2CCC3(CC2)CC3)c(Cl)c1 615226963 IIMBSCKKVMUVHQ-UHFFFAOYSA-N 260.768 3.588 30 20 CHED O/C(=N/Cc1nc2ccccc2[nH]1)[C@@H]1CC12CCCC2 329993160 LCOYDIVKOVDCGS-NSHDSACASA-N 269.348 3.600 30 20 CHED N#Cc1ccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 439554467 VMHURRUAUNDFRP-WDEREUQCSA-N 283.297 3.734 30 20 CHED N#Cc1ccc(Cl)cc1NCc1nc2c(s1)CCC2 719539259 KIROAMNJTIHIKQ-UHFFFAOYSA-N 289.791 3.769 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)c(N)c(Cl)c1 787929074 VXBYCPQYUMBUGD-JTQLQIEISA-N 299.201 3.756 30 20 CHED CCCCCCCCNC(=O)Cc1ccc(O)c(F)c1 1536167 VRHZJIBYJCZZGV-UHFFFAOYSA-N 281.371 3.551 30 20 CHED Cc1cc(C)cc(COc2ccc(C#N)c(F)c2)c1 113649656 MVSFJMXKBHFXQP-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C=CCn1c(C)nnc1S[C@H](C)c1cccc(C)c1 172903708 VMAKYJIMLSHSPW-GFCCVEGCSA-N 273.405 3.934 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(C)c(F)c1 104544122 HEGAEZQMLBVPGI-UHFFFAOYSA-N 290.382 3.926 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1OCCC 177254922 BYDTYPJIAMILFR-UHFFFAOYSA-N 265.328 3.909 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)c1ccc(OC(F)F)cc1 301538122 UNCMYKSQCDHXRC-SNVBAGLBSA-N 289.285 3.728 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)c1 110571123 RULGQICADCNXKL-ZWKOTPCHSA-N 290.366 3.624 30 20 CHED CO[C@H](C)c1nc(CO/N=C/c2ccc(F)cc2)cs1 177534070 SVMIRBGBTDLSBF-JYMRLUDQSA-N 294.351 3.540 30 20 CHED CC(C)c1cccc(N/C(N)=N/CCc2cccs2)c1 303778373 JQLMYJVRXADVPI-UHFFFAOYSA-N 287.432 3.841 30 20 CHED CC1(C)C[C@@H](Nc2c(F)cc(C#N)cc2F)C(C)(C)O1 302022835 FPNAJMBEOLLUIX-GFCCVEGCSA-N 280.318 3.594 30 20 CHED C=CCN(C)C(=O)N[C@H](CC)C(C)(C)c1ccccc1 119197114 RKCOOOBYWCUVIB-OAHLLOKOSA-N 274.408 3.570 30 20 CHED C[C@H](CNCCCCC#N)c1cccc(Br)c1 179416017 KMGCISHLIINXEB-GFCCVEGCSA-N 295.224 3.836 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(c2ccc(C#N)nc2)C2CC2)o1 301538153 UOTDOPFQMNRBBV-YVEFUNNKSA-N 293.370 3.839 30 20 CHED COc1ccc(C)cc1N[C@@H](C#N)C1CCCCC1 115605878 YGQGQMNJSDFJHM-HNNXBMFYSA-N 258.365 3.888 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCc2cc3ccccc3o2)c1 302211573 MTATWHSUMOPXQL-UHFFFAOYSA-N 293.282 3.825 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1C)c1ccncc1 178580728 GYLCZDGMMFCFIU-HNNXBMFYSA-N 294.358 3.535 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 1342652532 NBFPKNMPJFRSEJ-CYBMUJFWSA-N 293.313 3.545 30 20 CHED CC[C@H](C#N)NC(=O)C1(c2ccccc2C)CCCCC1 179241703 WIBOLJVTEDAVMN-OAHLLOKOSA-N 284.403 3.615 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1ccc2c(c1)CCO2 171540373 NYSCFYBUALGFNQ-HWKANZROSA-N 285.730 3.566 30 20 CHED C#CCCCCC(=O)NCCc1cc(Cl)cc(Cl)c1 119733025 NLESYCIIXPMFKV-UHFFFAOYSA-N 298.213 3.846 30 20 CHED N#Cc1ccc(N2CCc3ccc(Cl)cc3C2)cc1 301849406 DFRTVWFFWSTBNM-UHFFFAOYSA-N 268.747 3.774 30 20 CHED CCC1(CC)CN(c2ccc(C#N)c(Br)c2)C1 302504573 AUXRAVKEBFINMI-UHFFFAOYSA-N 293.208 3.947 30 20 CHED C=C[C@@H](C)N[C@@H]1CCCc2ccc(Br)cc21 128833737 QTASPUCRSMRLJQ-QMTHXVAHSA-N 280.209 3.991 30 20 CHED CCOCCOc1ccc(-c2ccc(C#N)cc2)cc1 34123299 LPYBLZNRQFKEFR-UHFFFAOYSA-N 267.328 3.641 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCC1)c1cccc(C(F)(F)F)c1 128305253 UCXUXNBKCCFJHA-SNVBAGLBSA-N 296.292 3.576 30 20 CHED Cc1cc(C)cc(N/C(N)=N\CCCSCC(C)C)c1 305317212 UIPRMFYSVZKCBX-UHFFFAOYSA-N 293.480 3.809 30 20 CHED C#CCCCCC(=O)N(c1cccc(C#C)c1)C(C)C 120145220 XZAYZRVQPQTYCJ-UHFFFAOYSA-N 267.372 3.603 30 20 CHED COC[C@H](Cc1ccccc1)N(C)CC(C)(C)CCC#N 187993955 DPTCIBYQESPJLG-KRWDZBQOSA-N 288.435 3.506 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCc2ccc(Cl)cc2)C1 185822580 JPTKQXATTYXEKQ-GOEBONIOSA-N 276.811 3.945 30 20 CHED CC(C)CNC(=O)Nc1ccccc1SC[C@@H](C)C#N 78572807 DDIYQUJIILAQKN-LBPRGKRZSA-N 291.420 3.716 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 185013679 QTQZIZOXDROCIH-GOSISDBHSA-N 299.414 3.942 30 20 CHED C=C(C)[C@@H](NCc1cc[nH]c1)c1ccc(F)c(F)c1 187369559 MHJJBYPWFKZJQK-OAHLLOKOSA-N 262.303 3.700 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1cccc(Cl)c1 189381175 LUIDHAQDGJGENO-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 414135482 CKCYVCYLOHPFSW-LLLHUVSDSA-N 291.822 3.909 30 20 CHED C[C@H]1[C@@H](C)SCCN1CCC1(C#N)CCCCC1 411282119 WYFDXTHQQXTBKP-UONOGXRCSA-N 266.454 3.676 30 20 CHED N#C[C@@H](C(=O)C1(Cc2ccccc2)CCC1)c1ccccn1 124515784 HQGZOUJGPBPFEM-MRXNPFEDSA-N 290.366 3.671 30 20 CHED CC(C)N(C)Cc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 185881582 FLFUXNRGJRKBRA-LPHOPBHVSA-N 299.462 3.699 30 20 CHED CCc1ccccc1NC(=O)c1cccc(F)c1C#N 186095764 ZGFZJVGJSDLZRN-UHFFFAOYSA-N 268.291 3.512 30 20 CHED COc1cccc([C@@H](C)CC(=O)Nc2ccc(C#N)cc2)c1 74625760 UEFGPPCXLCCSFB-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED CN(C)CC(C)(C)CNc1ccc(C(F)(F)F)c(C#N)c1 128754783 QHWFXEPBXBGDHW-UHFFFAOYSA-N 299.340 3.577 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)cnc1Br 180842465 BOVFEXURCIPQEH-UHFFFAOYSA-N 296.212 3.894 30 20 CHED CC(C)c1ccccc1NC(=O)[C@@H](C)SCCC#N 413015141 RSRVJGSVWYIQJQ-GFCCVEGCSA-N 276.405 3.784 30 20 CHED C=CCC[C@@H](C(=O)NC[C@H]1CC12CC2)c1ccccc1 416041446 DKACEUGBOGNGMG-HZPDHXFCSA-N 269.388 3.653 30 20 CHED CCC[C@H](C)N(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419636751 KDFNIUXAQFEMMB-GUYCJALGSA-N 299.418 3.766 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)[C@](C)(OC)C1CC1 413693954 QIMWPPYXTQCMBE-PBHICJAKSA-N 296.455 3.578 30 20 CHED N#Cc1ccc(OCCC2(C#N)CCCCC2)cc1 418779148 AWJGSPIDESYANS-UHFFFAOYSA-N 254.333 3.801 30 20 CHED CCN(CC)CCC[C@@H](C)N[C@H](C)c1cccc(C#N)c1 37200928 IXRXYKMDCFFOOI-HZPDHXFCSA-N 287.451 3.719 30 20 CHED C=CCn1c(S[C@@H](C#N)CC)nnc1-c1ccccc1C 127857321 RYEMPSVXRKQLPB-CYBMUJFWSA-N 298.415 3.834 30 20 CHED C[C@H]1C[C@]1(NCCCCC#N)c1ccc(Cl)cc1 503438082 ROPGHPPGZSVTJJ-SWLSCSKDSA-N 262.784 3.859 30 20 CHED Cc1cc2occ(C(=O)[C@H](C#N)c3ccccn3)c2cc1C 187475311 KKQPVTPUMHFCRR-CQSZACIVSA-N 290.322 3.935 30 20 CHED Cc1cc(COc2cc(F)ccc2F)ccc1C#N 447299796 UMOAUUNDXKGRFR-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CCc1ccc(C(=O)Nc2sc(CC)cc2C#N)c(C)n1 185713812 RTALXVYHZNWVDW-UHFFFAOYSA-N 299.399 3.700 30 20 CHED CCCCCCCn1cc(CCCO)c(C(F)(F)F)n1 180446152 UGQHONVOQDUYFG-UHFFFAOYSA-N 292.345 3.797 30 20 CHED COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1Cl 185863751 AYEJLLWRJVHFQI-WCQYABFASA-N 278.783 3.521 30 20 CHED N#Cc1cccc(OCCCSCCCCF)c1 507109448 DSCRHHLOHMKODP-UHFFFAOYSA-N 267.369 3.810 30 20 CHED C=CCCC(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 182535845 AGIDQTVAJIZZHI-UHFFFAOYSA-N 283.375 3.702 30 20 CHED COc1ccccc1C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 315779300 VMQJYPYSEPURSO-HUUCEWRRSA-N 294.398 3.849 30 20 CHED C[C@](O)(CNc1c(Cl)cccc1C#N)c1ccsc1 78301510 QPNDMCTVYBWIBG-AWEZNQCLSA-N 292.791 3.593 30 20 CHED Cc1cc(N2CCC[C@@H]2c2cccs2)c(C#N)cn1 335090938 OKYWAVZSRUFOBC-CYBMUJFWSA-N 269.373 3.665 30 20 CHED C=CCCc1ccccc1NC(=O)N(C)CCSC 505000537 GLARWOWMNMLDFB-UHFFFAOYSA-N 278.421 3.632 30 20 CHED C=CCOCCCN[C@H](c1ccc(F)cc1)C(C)C 502483176 HBTXBDZBJOUGMI-INIZCTEOSA-N 265.372 3.705 30 20 CHED CC(C)c1ccccc1OCCN[C@@H]1CCC[C@@H](C#N)C1 185836555 WZLSGBQKFNJWMY-HZPDHXFCSA-N 286.419 3.861 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(Cl)cn1C 189921835 GVZJAXZPDBUZSB-GFCCVEGCSA-N 287.794 3.743 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N(C)C2(C#N)CCC2)c1 506791712 ZFGQSULOLFTHEK-OAHLLOKOSA-N 298.430 3.893 30 20 CHED CC[C@H](CC#N)NC(=O)C(c1ccccc1)c1ccccc1 183852093 UOPYDTSWGXVYOW-QGZVFWFLSA-N 292.382 3.627 30 20 CHED CCOC(=O)[C@H](CC)S[C@H](C)c1cccc(C#N)c1 189854099 XUUHXOJXEBFDOY-RISCZKNCSA-N 277.389 3.694 30 20 CHED Cc1noc(C)c1C[C@@H](C)Nc1c(Cl)cccc1C#N 78294953 MEAMDRPDKQQPKJ-SECBINFHSA-N 289.766 3.860 30 20 CHED Cc1cc(F)c(C(=O)N(CCC#N)CCC(C)C)cc1F 134275741 YZWITVFLJRFEEL-UHFFFAOYSA-N 294.345 3.675 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(C2CC2)cc1 419333707 FYVBHRZYTHGSRL-ZIAGYGMSSA-N 267.376 3.658 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(C)cccc1F 133880404 NTYKELJFDYUDSZ-UHFFFAOYSA-N 250.317 3.564 30 20 CHED COc1nnccc1N=C(O)C[C@H]1C[C@H](C)CC(C)(C)C1 329580391 LAZGOSRXIXAESW-NWDGAFQWSA-N 291.395 3.926 30 20 CHED COC(=O)c1ccc(CSCCCCC#N)c(F)c1 135422808 VEIBEQASMYNSNN-UHFFFAOYSA-N 281.352 3.539 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN(CCC#N)CCC#N 191110116 PUCPQOXAQYFERQ-UHFFFAOYSA-N 295.308 3.643 30 20 CHED Cc1nc2ccccc2cc1C(=O)Nc1sccc1C#N 192474841 WQKSPGNMTMMRDR-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCc1sc(C(=O)[C@@H](C#N)c2ccccn2)cc1C 46705981 KMFGWHJTSCXSSX-NSHDSACASA-N 270.357 3.504 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccnc(OC(F)F)c2)no1 424359912 ISERHIPJYWIVHS-UHFFFAOYSA-N 295.289 3.587 30 20 CHED CCCn1ncc(C(O)=Nc2scnc2C)c1C1CC1 328944226 AOEVHJSWPIWGPX-UHFFFAOYSA-N 290.392 3.572 30 20 CHED C#CCCCC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 192348006 BHXDXOPDWQXWFH-QGZVFWFLSA-N 269.388 3.852 30 20 CHED O=C(/C=C/c1cccc2c1OCCCO2)c1cccs1 48578900 OIBGLTCAZLTMNJ-BQYQJAHWSA-N 286.352 3.806 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc(C)cc1 80079312 SMJSBFILMVZSAB-AWEZNQCLSA-N 260.381 3.664 30 20 CHED C[C@H]1CC(C(=O)N2CCc3c(C#N)cccc32)C[C@H](C)C1 421659487 XEUTZQJXTUIUIQ-CHWSQXEVSA-N 282.387 3.520 30 20 CHED N#CCN(C(=O)c1cc(Cl)ccc1F)c1ccccc1 194664334 APXHYSPZWAQESO-UHFFFAOYSA-N 288.709 3.649 30 20 CHED CCc1ccc([C@H](C)/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)cc1 329870746 BWYDVXWJKCGPPD-BLLLJJGKSA-N 297.402 3.590 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2c[nH]c3ccccc23)cc1 221725960 NCHSYFMYAFRAOI-KTKRTIGZSA-N 272.307 3.936 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccc(C)cc2)cc1 49873528 UYHOZDAANMJCIH-KRWDZBQOSA-N 278.355 3.552 30 20 CHED C[C@@H](NC/C(Cl)=C/Cl)c1ccc(C#N)cc1 85977872 ZIKDWRDZVRDDQV-DKBJHAQFSA-N 255.148 3.528 30 20 CHED N#C[C@H](NC(=O)Cc1ccc(Cl)s1)C1CCCCC1 193831142 FUPSNVDDJPNNOP-LBPRGKRZSA-N 296.823 3.533 30 20 CHED CC[C@@H](C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 190513387 XLVDPFFUKCHZDZ-CQSZACIVSA-N 272.392 3.731 30 20 CHED Cc1ccc2c(c1)CN(C(=O)[C@H](C)c1cccc(C#N)c1)C2 336508083 AUBMBUPJPCQXQP-CQSZACIVSA-N 290.366 3.513 30 20 CHED C=C(C)COc1cc(CN[C@@H]2CCC[C@@H]2C)ccc1OC 237149621 AHTIMUOXTVCVBC-GOEBONIOSA-N 289.419 3.928 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N(C)C[C@H](C)CC)c1C 331107504 GZGKPSQTLACLRV-NEPJUHHUSA-N 280.416 3.686 30 20 CHED CC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 231718150 WTXIAZFUGWYOGX-UHFFFAOYSA-N 254.255 3.789 30 20 CHED Cc1nsc(NC[C@]2(C)C[C@@H]2c2ccccc2)c1C#N 338738597 HCPODGNDUGKXSO-ZBFHGGJFSA-N 283.400 3.929 30 20 CHED CC(=O)Nc1ccc(C)c(/C(O)=N/C[C@@H]2CC[C@H](C)C2)c1 331087741 SLXCBABDLMDKSV-SMDDNHRTSA-N 288.391 3.694 30 20 CHED N#Cc1cc(Cl)ccc1NCCOc1ccccc1F 511383556 NIWJYKZEZGSZSE-UHFFFAOYSA-N 290.725 3.842 30 20 CHED Cc1cscc1C(=O)Nc1cc(C)c(N(C)C)cc1C#N 334871523 FBZGEHFPELUFND-UHFFFAOYSA-N 299.399 3.555 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(F)cc1OC 432705955 JVVFSSUTIJBLOP-UHFFFAOYSA-N 280.343 3.558 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(O)c1 93872411 AJJCYXNRMUWNBX-OALUTQOASA-N 292.382 3.664 30 20 CHED N#Cc1cc(F)cc(OCc2cnc3ccccc3c2)c1 336847773 GHKIKYDQMAUASC-UHFFFAOYSA-N 278.286 3.825 30 20 CHED N#CCc1cccc(NC(=O)N2CCC[C@H]2C2CCC2)c1 334741400 UDJMKXKEWGOZOO-INIZCTEOSA-N 283.375 3.549 30 20 CHED CC[C@H]1CCCN(C(C)(C)CNCc2cccc(C#N)c2)C1 237054237 UGAFFPZHVCMQJC-INIZCTEOSA-N 299.462 3.548 30 20 CHED CC[C@H](C)C[C@H](C)/N=C(/O)N[C@@H]1CCO[C@H](C(C)C)C1 330646287 ZCSXQZXJOIRKOO-XQLPTFJDSA-N 284.444 3.518 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1C#N 334284344 BGOUJNBYYXVVQB-UHFFFAOYSA-N 297.264 3.620 30 20 CHED Cc1ccc(C(C)(C)/N=C(/O)c2cc(C(C)C)on2)cn1 330832819 VJJKUHBLXOTEET-UHFFFAOYSA-N 287.363 3.741 30 20 CHED CCn1c(-c2ccc(C#N)c(C)c2)nc2cc(C#N)ccc21 435700761 KOANMFWEVISVHG-UHFFFAOYSA-N 286.338 3.775 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C(C)C)c(O)cc1C 436815966 QVOIQYHTLQNJRQ-UHFFFAOYSA-N 273.376 3.638 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 246070162 HMKQJXITIFZNCI-HALDLXJZSA-N 299.418 3.524 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1ccccc1CC#N 601280331 NTGKOEBGQJIGPM-OAHLLOKOSA-N 272.392 3.841 30 20 CHED C[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 340720183 IBTXCJFIEPEQTO-QWRGUYRKSA-N 286.400 3.649 30 20 CHED CN1CCCC[C@H]1CCSc1ccc(C#N)cc1F 340697335 ZVNPBKYMUJJRSO-ZDUSSCGKSA-N 278.396 3.664 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)[C@H](C)CCC 436309673 PANSQEPTBQONOX-FPCVCCKLSA-N 253.430 3.772 30 20 CHED C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccon1)c1ccccc1 347823560 UXPNWEZBXMRPHI-XJKSGUPXSA-N 299.374 3.742 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)c2ccsc2)cc1 345748270 JJNKZSMWFAQIKM-BLLLJJGKSA-N 298.411 3.795 30 20 CHED CCOc1ccc(OC)cc1N[C@@H](C#N)Cc1ccccc1 609221767 WQTZGGOGVOTPEU-OAHLLOKOSA-N 296.370 3.641 30 20 CHED C=CC[C@H](C)NC(=O)c1csc(-c2ccccc2C)n1 604880409 LFENYWYGJSEGTH-LBPRGKRZSA-N 286.400 3.813 30 20 CHED CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@@H](C)C#N 600218038 AWXWFGZFCWVKQL-NSHDSACASA-N 296.773 3.623 30 20 CHED O=C1/C(=C/c2cc(F)c(O)c(F)c2)Cc2ccc(F)cc21 255897893 XFWKLSFFRSPTEY-XCVCLJGOSA-N 290.240 3.632 30 20 CHED CC[C@H](C)[C@H](CNc1cccc(OCCCC#N)c1)OC 602483221 HWPQWJGSVRXYRC-YOEHRIQHSA-N 290.407 3.842 30 20 CHED C[C@H](CCC#N)CNc1ccc(C(=O)NC(C)(C)C)cc1 602646277 NQDPKOHVSPOPRE-CYBMUJFWSA-N 287.407 3.567 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1 537641368 PBMUJPCYHDAHPU-VNHYZAJKSA-N 255.365 3.724 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 255123269 KVXNKHWOMASPMS-FPLPWBNLSA-N 294.276 3.818 30 20 CHED C=CC[C@@H](C)N[C@H](c1ccc(F)cc1)c1cccnc1 346620423 IJFFVMFTJLYKBX-CXAGYDPISA-N 270.351 3.864 30 20 CHED C[C@H](CCC#N)CNC[C@H]1SCCc2ccccc21 602564496 SVXKUCNQBBIYJR-CZUORRHYSA-N 274.433 3.546 30 20 CHED Cc1ccc(CSc2nnc(C)c(C)c2C#N)cc1F 600515377 DITFELCZXKJLGT-UHFFFAOYSA-N 287.363 3.705 30 20 CHED Cc1ccccc1[C@@H]1CCCN1CC1(CC#N)CC1 602763830 DUGYECYCPODVMG-INIZCTEOSA-N 254.377 3.826 30 20 CHED C=C1CCN(C(=O)c2ccnc(Oc3ccccc3)c2)CC1 520822918 RJZJVLNOFHRIOF-UHFFFAOYSA-N 294.354 3.666 30 20 CHED C[C@@H](SC[C@H]1CCCOC1)c1cccc(C#N)c1 526948501 GLAZCTOBWFXDOS-OCCSQVGLSA-N 261.390 3.779 30 20 CHED C=CC[C@@H](C)Nc1ncnc2sc3c(c12)CCC3 342522223 SWSVWDWRMWHZAX-SECBINFHSA-N 259.378 3.557 30 20 CHED COc1cc(C#N)ccc1NC(=O)Nc1cc(C)ccc1C 525969152 KFXHWCBMHRUVOO-UHFFFAOYSA-N 295.342 3.828 30 20 CHED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C)C#N 344901674 FIMKTRVSBKEAGY-NSHDSACASA-N 298.308 3.602 30 20 CHED C[C@@H](CCC#N)CNc1ccc(C(=O)NC(C)(C)C)cc1 602646279 NQDPKOHVSPOPRE-ZDUSSCGKSA-N 287.407 3.567 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C#N)cc1 522981129 ZRTPRMMFSIOKNU-IAGOWNOFSA-N 299.418 3.716 30 20 CHED C[C@H]1c2ccccc2OCCN1Cc1ccc(C#N)cc1 609145468 FASGYXSVVSWZAP-AWEZNQCLSA-N 278.355 3.514 30 20 CHED C[C@H](CCC1CC1)N[C@@H]1CCc2ccc(C#N)cc21 353593754 DVKIUZIPXMSLDS-SJKOYZFVSA-N 254.377 3.714 30 20 CHED C[C@H](CCC#N)CNCC(C)(C)Cc1ccccc1 602551954 PVXLRSRXZTYNQK-OAHLLOKOSA-N 258.409 3.785 30 20 CHED CCCn1ncc(NCc2ccc(C#N)cc2)c1C1CC1 449413855 IRSLIRLGLQQXFY-UHFFFAOYSA-N 280.375 3.654 30 20 CHED CC(C)Oc1cccc(CN(C)Cc2ccccc2C#N)c1 535213650 XVHUQIGMDBPEKL-UHFFFAOYSA-N 294.398 3.977 30 20 CHED C=CCN(C(=O)N[C@@H](C)C(C)(C)c1ccccc1)C1CC1 539010955 QSQVQRSYPSYHAF-AWEZNQCLSA-N 286.419 3.713 30 20 CHED C=CCN(CCc1ccccc1)C[C@H](C)CCC#N 602456214 VPAASMWQERHKHD-MRXNPFEDSA-N 256.393 3.657 30 20 CHED CC[C@H](NCc1ccc(F)cc1)c1ccc(C#N)cc1 447514278 CPRDASNAFJLSQU-KRWDZBQOSA-N 268.335 3.938 30 20 CHED N#Cc1ccc(NCCOC2CCCC2)c(C(F)(F)F)c1 609962376 USRIZBPDABOQNL-UHFFFAOYSA-N 298.308 3.948 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(F)cc(Cl)c2)C1 536073717 XGSLVZHBTNTSPS-BONVTDFDSA-N 294.757 3.681 30 20 CHED Cc1ccc([C@H]2CCCCCN2Cc2cccc(C#N)n2)o1 602478795 UXLULLSWRMEGPZ-QGZVFWFLSA-N 295.386 3.972 30 20 CHED CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NCc1cc(C#N)cs1 356319957 ZUIDAFSRCPLPQJ-GLQYFDAESA-N 292.448 3.549 30 20 CHED C=C(CC)CS[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 539094695 BKIFAAFWGBJGHU-HUUCEWRRSA-N 291.460 3.994 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 359392053 SJAIBEFIIDKVBU-ARFHVFGLSA-N 274.408 3.521 30 20 CHED C[C@H]1C[C@@H](C(=O)N[C@H](C#N)c2ccccc2F)CC[C@H]1C 448895978 PHRVUCFCSFONGO-LMOYCYGVSA-N 288.366 3.579 30 20 CHED Cc1ccccc1OCCCNC1CCC(C)(C#N)CC1 449130095 XIRWRXGDEIZUCX-UHFFFAOYSA-N 286.419 3.826 30 20 CHED CC[C@H](C)n1[nH]c(=N[C@H](C)c2ccc(C#N)cc2)cc1C 538418123 AFGNFPHZYHWTGE-GXTWGEPZSA-N 282.391 3.629 30 20 CHED CC(C)(C)OCc1ccc(NC[C@H](C#N)CCC#N)cc1 610612687 ZDKXXLQBGXLUES-HNNXBMFYSA-N 285.391 3.857 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](CC(C)C)c1ccccc1 538828556 MOYKXAYVKWVZRF-CVEARBPZSA-N 272.392 3.625 30 20 CHED C=CCCC1(C(=O)NCc2ccc(OC(C)C)cc2)CC1 354301719 PEIXHHABMRHGRB-UHFFFAOYSA-N 287.403 3.836 30 20 CHED C=CCCC1(C(=O)Nc2cn(-c3ccccc3)nc2C)CC1 356739683 OLFJBZQUWRTACF-UHFFFAOYSA-N 295.386 3.866 30 20 CHED C=CC[C@H]1N(Cc2cnc3n[nH]c(C)c3c2)CCCC1(C)C 446831784 ITSWCHJXHVVSFS-MRXNPFEDSA-N 298.434 3.833 30 20 CHED CCC(C)(C)c1ccc(NC(=O)N(C)C[C@@H](C)C#N)cc1 448115830 HWTVLWIGZAIAQN-ZDUSSCGKSA-N 287.407 3.998 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 267225192 VDHBPGMWXWYYHF-MRXNPFEDSA-N 297.402 3.593 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1C 538367950 SOCPKDBNIWZJHM-ILXRZTDVSA-N 266.429 3.951 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)c1cc2ccccc2n1CC#N 610294807 VUMQJEGKLATBHW-UONOGXRCSA-N 297.402 3.719 30 20 CHED N#CCCCCN(Cc1ccc(Cl)cc1)C1CC1 263776725 DSNRVAYNLNCHHD-UHFFFAOYSA-N 262.784 3.998 30 20 CHED C=C(CC)CSc1nc2ccc(F)cc2c(=O)n1CC 358567987 QZDMCDDRELJYOU-UHFFFAOYSA-N 292.379 3.614 30 20 CHED CCn1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)c1 616129698 RFFSSAJTJSDMKR-CQSZACIVSA-N 267.376 3.573 30 20 CHED CC[C@@H]1C[C@@H](C)CN1Cc1cccc(OCCCC#N)c1 537625274 WPJRGNMWHVMUMK-NVXWUHKLSA-N 286.419 3.990 30 20 CHED C[C@@H](CN[C@H]1CCCCc2cc(C#N)ccc21)C1CC1 619508308 UUAKGQBGCQHSNR-UGSOOPFHSA-N 268.404 3.961 30 20 CHED N#Cc1ccc(CNc2sccc2[N+](=O)[O-])cc1Cl 619746516 AGEPYOBPPFSESA-UHFFFAOYSA-N 293.735 3.793 30 20 CHED C=C(CNC(=O)[C@H](CC)CC(F)(F)F)c1ccccc1 451753146 HAAWXCGDHRSEFI-GFCCVEGCSA-N 285.309 3.795 30 20 CHED C[C@H](Cc1nnc(SCC2(C#N)CC2)o1)c1ccccc1 534305389 DKVREWIOOCWZKN-GFCCVEGCSA-N 299.399 3.812 30 20 CHED CCC[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 610592401 OBUXSGYAHRIIRL-BHYGNILZSA-N 299.418 3.656 30 20 CHED N#CC1(CN2CCC[C@@H]2Cc2ccc(F)cc2)CCC1 450281205 BBBGJEGBYHVRKJ-MRXNPFEDSA-N 272.367 3.526 30 20 CHED CC[C@@]1(C(C)C)C[C@H]1NC(=O)Nc1cccc(CC#N)c1 455907737 POOWWIQDPWNUGO-WBVHZDCISA-N 285.391 3.699 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C(=O)C(C)C)cc1 455828630 WUMFZXHCMFHEFM-LBPRGKRZSA-N 274.364 3.611 30 20 CHED C=CCCC[C@H](C)NC(=O)N1Cc2ccccc2C[C@@H]1C 539392229 STCNTSKGWXJEFQ-GJZGRUSLSA-N 286.419 3.888 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2NCC(C)(C)C#N)cc1 613540366 OIOREAJSYLFUGQ-HOTGVXAUSA-N 256.393 3.771 30 20 CHED C=CCCc1noc(C2=Cc3cccc(OCC)c3OC2)n1 453249988 WZHVUZFDUPZEGK-UHFFFAOYSA-N 298.342 3.520 30 20 CHED C#CCCCSc1nnc(-c2ccc(F)cc2)n1CC 270895697 SLGNFXJJJZTDDI-UHFFFAOYSA-N 289.379 3.610 30 20 CHED C#CC[C@H](NCCCC(C)(C)C#N)c1ccccc1 271655050 CADBTJICQHCJQV-INIZCTEOSA-N 254.377 3.671 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1nc2ccccc2s1 459918557 IYQHFSHVAFHTMK-UHFFFAOYSA-N 274.389 3.861 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cccc2ccsc12 274298486 RRAGSUWAHGGENN-HNNXBMFYSA-N 272.373 3.569 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N(C)C[C@H](C)C#N 274227612 WCZMMKRUCMDRAH-SNVBAGLBSA-N 296.823 3.684 30 20 CHED CCCCCCCCCN(C)C(=O)CCc1ccncn1 277592233 NNJPAZNILGZQFM-UHFFFAOYSA-N 291.439 3.618 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H]1CSc2ccccc21 452214004 KCHGJEHXHRVZMZ-BLLLJJGKSA-N 275.417 3.594 30 20 CHED C=CC(C)(C)CNC(=O)c1[nH]c2ccccc2c1Cl 452779632 URKUBPBYLNLKDM-UHFFFAOYSA-N 276.767 3.763 30 20 CHED CC(C)(C#N)c1nc(-c2cccc(-c3cscn3)c2)no1 547263407 KXTFVLCGNHSZFF-UHFFFAOYSA-N 296.355 3.661 30 20 CHED C=CCCOCCCCC(=O)NC[C@@H]1CCCC[C@H]1C 540498219 SHRSLBDMCGWSKJ-CVEARBPZSA-N 281.440 3.692 30 20 CHED Cc1cccnc1CN(Cc1ccc(C#N)cc1)CC(C)C 540067716 QLJPPGYNWLIPMX-UHFFFAOYSA-N 293.414 3.920 30 20 CHED CC(C)(CNC(=O)c1ccc(F)c(C#N)c1)C1=CCCC1 457183498 ORBXTGLEHOZMSZ-UHFFFAOYSA-N 286.350 3.564 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(F)cc1Cl 276376683 YHPBWUQLJGKVHL-UHFFFAOYSA-N 256.708 3.519 30 20 CHED C[C@H](C#N)CN[C@H]1CCC[C@H]1CCc1ccccc1 545948490 UQRYILSSBDCUEU-PVAVHDDUSA-N 256.393 3.537 30 20 CHED C=CCC1(CN[C@H](CC)c2nccn2C)CCCC1 453378251 QCCLTMWYJJKJNA-CQSZACIVSA-N 261.413 3.597 30 20 CHED C=CCOCCNC1(c2ccc(Cl)cc2)CCC1 549526947 FVOUYICYJGEMHO-UHFFFAOYSA-N 265.784 3.511 30 20 CHED CC(C)[C@H](C#N)NC(=O)CCCCCc1ccc(F)cc1 275034914 KZXLVORMTCTJBK-INIZCTEOSA-N 290.382 3.593 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc2c(c1)N(C(N)=O)CCC2 278811763 XHRJZOPKXBJYLO-STQMWFEESA-N 287.407 3.531 30 20 CHED CC(C)(C#N)CC(=O)NC1(c2ccc(Cl)cc2)CCC1 278163156 AABSSQNCURGBOM-UHFFFAOYSA-N 290.794 3.775 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccsc1 272311808 TYKQPFXLGSMQMX-LBPRGKRZSA-N 268.385 3.960 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N(C)c2ccc(C#N)cc2)cc1 272629921 WNLJOFFGPIYNHZ-OAHLLOKOSA-N 292.382 3.708 30 20 CHED C=C(C)Cn1c(N2C[C@@H](C)CC[C@H]2C)nnc1C(C)(C)C 460579126 UILYGCZBKGQLIU-UONOGXRCSA-N 290.455 3.777 30 20 CHED Cc1nc(-c2ccc(C)c(N[C@@H]3CCC[C@H](C#N)C3)c2)n[nH]1 274242399 WMIZEFZEZCGENB-DZGCQCFKSA-N 295.390 3.583 30 20 CHED C=CCN(C(=O)c1csc(C(C)(C)C)n1)C(C)(C)C 622943612 JXJQLNDHLZBRMC-UHFFFAOYSA-N 280.437 3.867 30 20 CHED CCC1(C)CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 462025090 DUBNEJQXNQUNPQ-CQSZACIVSA-N 284.403 3.700 30 20 CHED CC#CCCCC(=O)N(C)Cc1ccccc1SC 279375940 FZILWDMBPBASQP-UHFFFAOYSA-N 275.417 3.561 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](OC)c1ccc(Cl)cc1 468012667 XJBJCZIAZCGPGC-HOCLYGCPSA-N 295.810 3.746 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 284146196 IVMOMAMJAXJXSF-DFBGVHRSSA-N 288.778 3.623 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N(CC)C1CCC1 460390442 WGLQHRAEJPMWAQ-UHFFFAOYSA-N 276.428 3.576 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2c(F)cccc21 461364534 VGSJPLHWVDAHET-LBPRGKRZSA-N 266.319 3.821 30 20 CHED CCOc1ccccc1[C@H](C)NCCc1cccc(C#N)c1 467449123 NVKXVEQCESLUKF-HNNXBMFYSA-N 294.398 3.850 30 20 CHED C=CCC[C@H](CC)N[C@@H](Cc1ccccc1)[C@H](O)C(F)F 462112243 OBCZAZGZJMNNSG-JYJNAYRXSA-N 297.389 3.558 30 20 CHED CC1(C)CN(C(=O)c2cccc(C#N)c2)[C@H]1c1cccs1 288352063 LZFOWHLUHISKLB-HNNXBMFYSA-N 296.395 3.843 30 20 CHED CC/C=C\CCN(Cc1ccc(C#N)cc1)C1CC1 466836740 HMXRNSPLTXZLCH-ARJAWSKDSA-N 254.377 3.879 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2nc(C)oc2c1 281156389 BHILWMIFQMBLTO-NSHDSACASA-N 273.336 3.612 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(SC)o2)n1 551142769 JUAGLXLYMHCGDB-UHFFFAOYSA-N 264.350 3.905 30 20 CHED C=C(Cl)CN1CCC(n2c(C)nc3ccccc32)CC1 280196511 INDNZAVLOFUPPM-UHFFFAOYSA-N 289.810 3.734 30 20 CHED C[C@H](CCNC(=O)c1cccc(CC#N)c1)CC(C)(C)C 468104482 XDNIIDJQPMWBOJ-CQSZACIVSA-N 286.419 3.945 30 20 CHED C=CCCCNC(=O)c1occc1-c1ccc(F)cc1 468387487 IWMCYIDOTLYRNX-UHFFFAOYSA-N 273.307 3.782 30 20 CHED Cc1csc(NC(=O)/C=C2\CC[C@@H](C)C2)c1C#N 288875415 RBINPMCXQRWTBJ-VKRGWIQLSA-N 260.362 3.613 30 20 CHED CCCOc1cc(C)ccc1CN[C@@H]1CCC[C@H](C#N)C1 463239315 XSAFDTACWGCSIK-DOTOQJQBSA-N 286.419 3.956 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CSC[C@@H]1C)c1ccccc1 552664073 RHVBJTRJWNSXJY-CWRNSKLLSA-N 289.444 3.604 30 20 CHED C=CCCCC(=O)NCCCc1c[nH]c2ccc(F)cc12 282102044 KDDWWQPORLWFCM-UHFFFAOYSA-N 288.366 3.712 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cccc(CC(C)C)c1 552275542 ZEFIYIJENIOLTJ-RDJZCZTQSA-N 275.436 3.720 30 20 CHED C=C(C)COC(=O)c1cc(C2CC2)nc2ccccc12 808858154 VSFOQHGAGWUGFZ-UHFFFAOYSA-N 267.328 3.845 30 20 CHED N#CCCSc1ccccc1NC(=O)CSC1CC1 294558656 JFLBCJGUMXATQS-UHFFFAOYSA-N 292.429 3.526 30 20 CHED C=CCOCCCN1CCC[C@H]1/C=C\c1ccccc1 470777362 UXINCCHXZVZJJM-JYBLJSLWSA-N 271.404 3.757 30 20 CHED CCc1nocc1CSCc1cccc(F)c1C#N 566480870 FHHMYENGNMLEPR-UHFFFAOYSA-N 276.336 3.681 30 20 CHED C=CCCCCCCNC(=O)C1(OC)CCCCC1 805221169 MDCXZZHKWQAWJR-UHFFFAOYSA-N 267.413 3.588 30 20 CHED Cc1ncccc1/C=C1/CCc2cc(F)ccc2C1=O 299736528 KROCMLXEULUMQC-ZROIWOOFSA-N 267.303 3.742 30 20 CHED C[C@@H](C#N)OCCSCc1cc(-c2cccs2)on1 802750038 VHVXVRDWGCUYLH-JTQLQIEISA-N 294.401 3.565 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2C[C@H](c3ccc(F)cc3)C2)C1 293713453 MYSWKHBKVOQBEC-CSFVBSKPSA-N 272.367 3.744 30 20 CHED CC(C)CC[C@@H](NCc1ccc(OCC#N)cc1)C1CC1 802303526 JEEYXZYYFSKPHS-GOSISDBHSA-N 286.419 3.893 30 20 CHED CCSCC(=NOCCSC)c1ccccc1 807986555 MKRMTHKZNAHHOL-UHFFFAOYSA-N 269.435 3.523 30 20 CHED C[C@H](C#N)OCCOC(=O)CC1CCC(C(C)(C)C)CC1 801848630 KVZAYVHHHIBQLA-WLYUNCDWSA-N 295.423 3.701 30 20 CHED C=CCN(CCC#N)Cc1cc(Cl)cc(Cl)c1O 292742361 HMYJGAQCNOVQOP-UHFFFAOYSA-N 285.174 3.601 30 20 CHED C=CCOCCCSc1nc2ccccc2n1CC=C 475966753 KTQNYZUZQAXWFQ-UHFFFAOYSA-N 288.416 3.907 30 20 CHED C#C[C@H](C)NCc1ccc(-c2ccccc2F)s1 809682951 JPZZWXLOVBNZPT-NSHDSACASA-N 259.349 3.666 30 20 CHED Cc1ccc(CCC(=O)N[C@H](C#N)C2CCCCC2)s1 291702208 KOZFJWSCNSFBON-OAHLLOKOSA-N 290.432 3.578 30 20 CHED CCCCCCCn1cc(Br)cc(F)c1=O 809972036 CCOVPCGLNRZRNB-UHFFFAOYSA-N 290.176 3.720 30 20 CHED C#Cc1ccc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)cc1 809636864 HKZRPFGHPXTYPA-IUODEOHRSA-N 281.321 3.831 30 20 CHED C=CCOCCCN1C[C@H](c2ccc(C)cc2)C[C@@H]1C 470865296 GAPXZRSTFOVIKW-FUHWJXTLSA-N 273.420 3.766 30 20 CHED C#C[C@@H](CC)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 809686204 AHWXKZPNAZKJOT-FIQHERPVSA-N 267.825 3.895 30 20 CHED C=C(C)[C@H](NC[C@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1 567989145 ZHCLOZCTXNBAIN-XYPHTWIQSA-N 295.373 3.723 30 20 CHED C=C[C@@H](C)NC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 482825595 LBRJALHPYUMPBD-SECBINFHSA-N 299.201 3.636 30 20 CHED Oc1ccc2ccccc2c1C=NOC/C=C/Cl 811671475 GBALXXZJVBQWOO-LLJUOEEHSA-N 261.708 3.648 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H](c2ccccc2)C1 817107992 TZNSTTUUZGAQAM-CQSZACIVSA-N 279.330 3.604 30 20 CHED N#Cc1cc(NC(=O)C2(F)CCCCC2)nc2ccccc12 813247522 ASMVYZWOIXBIML-UHFFFAOYSA-N 297.333 3.717 30 20 CHED Cc1c(C2CCCCC2)noc1NC(=O)[C@]1(C#N)C[C@H]1C 560668059 MAXQTFXZLGARDU-HWPZZCPQSA-N 287.363 3.519 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@H]1CC1CCCCC1 564384688 TWIVTAXAMJPFES-INIZCTEOSA-N 288.439 3.712 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNc1ccccn1 814730933 UYRVGWIWBSRLLQ-NVXWUHKLSA-N 295.386 3.832 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)N[C@]2(C#N)CC2(C)C)cc1 813303302 MEBGVYKRWALFOT-BLRBJFNZSA-N 296.414 3.806 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccccc1C(C)C 810021436 FGEWHUJQODXGRS-UHFFFAOYSA-N 277.367 3.973 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1Cl 488811129 CCADFPJDDHSULM-ZDUSSCGKSA-N 281.758 3.589 30 20 CHED C[C@@H]1SCCC1=NNc1ccc(C#N)c(C(F)(F)F)c1 814828698 OPMNVLITXDVPSR-QMMMGPOBSA-N 299.321 3.870 30 20 CHED O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCCC[C@H]1C1CC1 569107442 WGEWLVLEBGVGFQ-ZWKOTPCHSA-N 299.389 3.510 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cc2cccc(Cl)c2o1 817611658 WENOXDLIIUOKBP-UHFFFAOYSA-N 290.750 3.708 30 20 CHED Cc1ccc(C)c(NN=C2CC[C@@H](CC(=O)O)[C@H]2C)c1 814753773 ZJOCSAPYMZYTTO-OLZOCXBDSA-N 274.364 3.592 30 20 CHED C=C(C)CNC(=O)NCC(C)(C)c1ccc(F)cc1Cl 488565749 XIJRUHNGYSXWHC-UHFFFAOYSA-N 298.789 3.632 30 20 CHED Cc1ccccc1[C@@H]1CN(c2ccc(C#N)cc2)[C@H](C)CO1 487631932 ISZCFBQOAUASJI-BEFAXECRSA-N 292.382 3.833 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC(C)(C)CCOC 657974010 KTZVGPBFGUYVHF-HUUCEWRRSA-N 253.430 3.774 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccc(/C=C/C)cc1 572642571 LDGURTBKKUXIRY-FNORWQNLSA-N 272.392 3.556 30 20 CHED Cc1cccc(CN(C)Cc2ccccc2C(C)(C)C#N)n1 487407004 BFOIOHATRIKBBL-UHFFFAOYSA-N 293.414 3.823 30 20 CHED c1ccc2c(c1)OC1(CCC1)CC2=NOC1CCC1 812235366 UFKXQNDDYBMVMS-UHFFFAOYSA-N 257.333 3.665 30 20 CHED Cc1ccc(CCCCC(=O)N[C@@]2(C#N)CC2(C)C)cc1 484908672 LRSIDMFINSFMEJ-GOSISDBHSA-N 284.403 3.516 30 20 CHED C[C@H]1CC[C@H](C=NNc2ccc(F)c(F)c2F)C1 814945844 SWOBWEKWSULIMX-IUCAKERBSA-N 256.271 3.938 30 20 CHED C#CCC1(C(=O)N2CC3(CCC3)[C@H]2C(C)C)CCCCC1 814134711 BLCGXXHZNZNDFJ-MRXNPFEDSA-N 287.447 3.997 30 20 CHED C=CCC(C)(C)c1noc([C@@]2(F)CCN(C(C)(C)C)C2)n1 573584243 CKBLWHNCZQNNBZ-MRXNPFEDSA-N 295.402 3.592 30 20 CHED CC(C)[C@H]1CC(=NNc2cc(Cl)ccn2)CS1 814898084 KATJEBVFISMVQM-LLVKDONJSA-N 269.801 3.664 30 20 CHED Cc1ccc2snc(C(=O)OCC(C)(C)CC#N)c2c1 816021196 GDNIGOZIIRJFCJ-UHFFFAOYSA-N 288.372 3.701 30 20 CHED C[C@H](C#N)CNc1ccc2ccc(Br)cc2n1 811809827 XZHWGMQYDUYBBD-SECBINFHSA-N 290.164 3.569 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ncnc2ccsc12 814880147 RVWPXWKJVVGZNF-SNVBAGLBSA-N 299.403 3.809 30 20 CHED C=CCCCCOC(=O)CCc1nnc(C2CCCC2)o1 811010079 IMJDRLPSMKMHKR-UHFFFAOYSA-N 292.379 3.559 30 20 CHED CC[C@@H](CNCc1ccc(C#N)c(OC)c1)c1ccccc1 579533319 QCMRORLBRQZCBR-INIZCTEOSA-N 294.398 3.850 30 20 CHED N#Cc1cccc(NN=Cc2cc3ccccc3o2)c1 812457323 HGXQUSCKUCLVJB-UHFFFAOYSA-N 261.284 3.750 30 20 CHED Cc1cccc(OCCCNCc2ccc(C#N)cc2)c1C 486789434 AQJOVRPWSJKNTA-UHFFFAOYSA-N 294.398 3.734 30 20 CHED CSCCON=Cc1ccc(Cl)cc1Cl 727411226 CKKFMGSZFLWPKD-UHFFFAOYSA-N 264.177 3.707 30 20 CHED CCC[C@@H](C(=O)Nc1ccccc1CC#N)C(C)C 577558372 NIPOADCIOKGOOE-CQSZACIVSA-N 258.365 3.763 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](F)C1)c1ccc(C#N)c(F)c1 577750639 OWSTZKBLHPRLCE-LEWSCRJBSA-N 264.319 3.629 30 20 CHED N#Cc1cc(F)ccc1COC(=O)/C=C\c1cccs1 728615575 HBPLCZSURXDQQB-WAYWQWQTSA-N 287.315 3.515 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(C)c(C)c1O 728155547 RALVHUHABFHYNE-UHFFFAOYSA-N 272.323 3.984 30 20 CHED Cc1nc(N2CCC[C@@H]2CCc2ccccc2)ccc1C#N 488062914 ILWMYFQHUZWIFA-GOSISDBHSA-N 291.398 3.863 30 20 CHED C[C@]1(CCOC(=O)c2cccc(CC#N)c2)C[C@@]1(F)Cl 822071808 XGWSUJSOLGOHFP-GJZGRUSLSA-N 295.741 3.614 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1cccc(F)c1 726739262 IPLBRZCSNDETQO-UHFFFAOYSA-N 296.305 3.712 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(O)c2)ccc1F 729150954 RIOUQAFQVIXDLL-VURMDHGXSA-N 256.276 3.736 30 20 CHED CCCCCNC(=S)NN=C(C)CSC(C)(C)C 729636276 GZTLNLVRAXKBRZ-UHFFFAOYSA-N 289.514 3.548 30 20 CHED C=CCCNC(=O)Nc1ccc(F)cc1OC(C)(C)C 666480403 PJRKWXDLGQUDNZ-UHFFFAOYSA-N 280.343 3.701 30 20 CHED CO[C@@H](c1noc(-c2ccc(C#N)c(Cl)c2)n1)C(C)C 571960721 VHYZCBLKZWPNMN-GFCCVEGCSA-N 291.738 3.605 30 20 CHED Cc1cc2cc(NCC(C)(C)CCC#N)ccc2n(C)c1=O 492239822 JXSFRAKYTYAIRL-UHFFFAOYSA-N 297.402 3.589 30 20 CHED C=CCCCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 828334293 RRUJLZNPGODUIV-GJZGRUSLSA-N 296.455 3.578 30 20 CHED C#C[C@H](CC)NC(=O)N1CCCCC[C@H]1c1ccc(C)o1 821567890 ZAFPTBCZPBDXFU-CABCVRRESA-N 288.391 3.627 30 20 CHED CC(C)c1cccc(N[C@H](C(=O)O)c2cccc(C#N)c2)c1 827134311 QNUVOYXJTYXTKJ-KRWDZBQOSA-N 294.354 3.919 30 20 CHED CC[C@H](N[C@@H](CC)[C@H]1CCCO1)c1cccc(C#N)c1 902888355 SMFALUJZDKBQDY-YESZJQIVSA-N 272.392 3.557 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C(\C)Cl 907874450 QCAMWVAJKPHEHA-UKTHLTGXSA-N 263.768 3.734 30 20 CHED CC(C)Cc1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)cc1 585747933 BAEIQOPZKCIZAE-UHFFFAOYSA-N 296.414 3.936 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N(O)Cc1ccc(F)cc1 904177845 PUCZWUVFXWJSMX-SNVBAGLBSA-N 293.260 3.522 30 20 CHED CC[C@@H](NCC(CC)(CC)CCO)c1cccc(C#N)c1 902827367 JYALVMBBIJPDDH-QGZVFWFLSA-N 288.435 3.788 30 20 CHED C=C(C)CN(C)C(=O)NCC1CCC(C(C)C)CC1 498272983 WRUVYLAKBAWKEZ-UHFFFAOYSA-N 266.429 3.666 30 20 CHED COc1ccc2ccccc2c1C=NNc1ccc(F)cn1 731319375 UINXSPFRZIFFSL-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C=C(Cl)CNC(=O)c1cc(C(C)C)nc2ccccc12 736245940 HSNBORCENPMXGG-UHFFFAOYSA-N 288.778 3.841 30 20 CHED CC[C@H](C)NN=Cc1cnc(-c2ccccc2F)s1 834972576 IHMOVRHJNRJMAN-JTQLQIEISA-N 277.368 3.671 30 20 CHED C=CCC[C@H](C)OC(=O)c1cc2ccncc2s1 835269089 VTHQRLYKFUANQH-JTQLQIEISA-N 261.346 3.808 30 20 CHED CCCC[C@H](CC)C(=O)O[C@H]1CCC[C@H](C#N)C1 839059796 XNGQKONYJQZBII-IHRRRGAJSA-N 251.370 3.828 30 20 CHED C#CCOc1cccc(N=Cc2cccc(OCC)c2O)c1 730951773 QCZHCXUNZSRCNX-UHFFFAOYSA-N 295.338 3.554 30 20 CHED Cc1ccccc1C(C)(C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839047926 AVTQXSHPRZRTHB-HUUCEWRRSA-N 285.387 3.898 30 20 CHED C=CCCOc1ccccc1-c1cn2c(n1)CCCC2 906177128 PRDNYGBUSMYXTG-UHFFFAOYSA-N 268.360 3.841 30 20 CHED C[C@H](NCCC1CC(F)(F)C1)c1ccc(OCC#N)cc1 834908409 JSOLEMGEAADZLK-LBPRGKRZSA-N 294.345 3.675 30 20 CHED c1ccc2c(NN=C3CCCCCC3)cnnc2c1 733748141 IVVSDRGQKIZJEF-UHFFFAOYSA-N 254.337 3.752 30 20 CHED C=CC[C@@H]1N(Cc2ccoc2C(=O)O)CCCC1(C)C 902546353 UPORXPPEQYZUHZ-ZDUSSCGKSA-N 277.364 3.545 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(CCC)CCC 583963132 UKDZCRLNJZWBKL-ZDUSSCGKSA-N 264.417 3.604 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1ccc(F)cc1 901123479 LKPQCJLRMSQRFN-UHFFFAOYSA-N 274.343 3.666 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2c3cccc(F)c3CC[C@H]2C)n1 587993574 YQMRNBSPVWNJTJ-HWPZZCPQSA-N 296.349 3.531 30 20 CHED C=C(CN[C@H](C)Cc1ccccc1OC)c1ccccc1 675783559 KQAZAUORQICXCX-MRXNPFEDSA-N 281.399 3.929 30 20 CHED C=C(Cl)CN(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 832574678 OEQKXMJWBOHOQN-HDJSIYSDSA-N 265.784 3.626 30 20 CHED C[C@H]1CC(=NNc2ccc(C(F)(F)F)cc2)c2nccn21 834964595 DQHGPWXEMADEDH-VIFPVBQESA-N 294.280 3.683 30 20 CHED C=CCC1(C(=O)OCc2ccnc(Cl)c2)CCCC1 835121852 WSJNYJAALDCLER-UHFFFAOYSA-N 279.767 3.915 30 20 CHED c1ccc2cc(OCCON=C3CCC3)ccc2c1 735489922 KGLIQJSNSURHCW-UHFFFAOYSA-N 255.317 3.775 30 20 CHED C=C(Br)CN1CCC[C@@H]1Cc1ccccc1 919647806 RYBJVUMQYDLOFY-CQSZACIVSA-N 280.209 3.602 30 20 CHED Clc1cncc(NN=C2CCC[C@@H]2c2ccccc2)n1 732527938 AVIJUHREVIDWAW-GFCCVEGCSA-N 286.766 3.866 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C)c1C)CO2 731156743 KRMHNISVTRMPMJ-OQLLNIDSSA-N 294.350 3.971 30 20 CHED CCOc1cccc(/C=N\[C@H](C)c2ccc(C#N)cc2)c1O 915112969 LIXCZDGQXLKSPH-UAAGNOOKSA-N 294.354 3.843 30 20 CHED CCOc1ccc(C(C)=NNc2cccc(C(=O)O)c2)cc1 833662981 DEUGHCQVXNOWAR-UHFFFAOYSA-N 298.342 3.620 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@H]2C[C@H]21 672135853 LCSQNHSEMODEGI-GXTWGEPZSA-N 273.401 3.589 30 20 CHED Cc1ccc(CN(Cc2ccco2)C(=O)C#CC2CC2)s1 837371144 TYORPLKIAGZSKP-UHFFFAOYSA-N 299.395 3.592 30 20 CHED Cc1cnc(CCN[C@H](C)c2ccc(C#N)c(F)c2)c(C)c1 594509429 IKYLKTKLKZHTNU-CQSZACIVSA-N 297.377 3.603 30 20 CHED CC1(C)C[C@]1(NC(=O)CCCCCC#N)c1ccccc1 598551094 PWWOMUPAXXISCQ-SFHVURJKSA-N 284.403 3.902 30 20 CHED C=CCN(C(=O)c1cc(-c2ccccc2)ns1)C(C)C 746217837 CTTQWZXHVZBLQY-UHFFFAOYSA-N 286.400 3.847 30 20 CHED C=C(Cl)CNC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 743620774 QNQSCZDZGBRHMM-IINYFYTJSA-N 296.773 3.671 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C=C(\C)C(C)(C)C 742707454 MZIGVBQASNAEIO-ZRDIBKRKSA-N 289.350 3.769 30 20 CHED Clc1cc(Cl)c(NN=Cc2ccc[nH]2)nc1Cl 916319315 LKZXDMNVTCWCNO-UHFFFAOYSA-N 289.553 3.816 30 20 CHED CCCn1nccc1-c1nc2cc(C#N)ccc2n1CCC 596010562 TZKZDWJUDZGCIY-UHFFFAOYSA-N 293.374 3.591 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)C1CCCC1 595647093 UEOCKBSSSDVAOD-GDBMZVCRSA-N 291.439 3.681 30 20 CHED CC(C)(C)c1nn(CCCC2CCC2)c(O)c1CCC#N 596260276 HPPFJFRKFFKMIB-UHFFFAOYSA-N 289.423 3.923 30 20 CHED C#CCN(Cc1ccc(Cl)nc1)[C@@H]1CCc2ccccc21 744388826 WHROPCVSMQLSGJ-QGZVFWFLSA-N 296.801 3.858 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccc(C)c(F)c1 840794594 MTIZUJTWFANMNY-UHFFFAOYSA-N 266.385 3.633 30 20 CHED N#CCCCCOC(=O)c1cc(Cl)nc2ccccc12 914621138 FQDPGQUHGYJANQ-UHFFFAOYSA-N 288.734 3.739 30 20 CHED CC#CCCCCOC(=O)c1ccc2ccncc2c1 845517877 VYAKYVWWMXLKMG-UHFFFAOYSA-N 267.328 3.585 30 20 CHED COc1ccc(C)cc1[C@H](C)NCCc1ccc(C#N)cc1 595055398 CHKXJMJLUDTHJQ-HNNXBMFYSA-N 294.398 3.769 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)C[C@H](C)CC)c1 743004718 JNIDBJOOJVXYLJ-CHWSQXEVSA-N 274.433 3.779 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccnn1CC(C)C 592499427 BQFSHODEZYDEQL-UHFFFAOYSA-N 290.455 3.691 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@](C)(C#N)C2)cc1C 597498987 KPPQKMIZRXJJHA-YQVWRLOYSA-N 296.414 3.559 30 20 CHED C=C(C)COC(=O)c1cc(Cl)cc2cccnc12 745020315 YAXIFOYTDFAMJK-UHFFFAOYSA-N 261.708 3.621 30 20 CHED CCc1ccc(-c2ccc(C(=O)O[C@H](C)CC#N)o2)cc1 744134363 CJZCEKCPJGDMKW-GFCCVEGCSA-N 283.327 3.968 30 20 CHED Cc1c(-c2ccc([C@H](C#N)C(C)C)cc2)cnn1C 592989134 KRZRVMAAUAVGTL-OAHLLOKOSA-N 253.349 3.659 30 20 CHED CC(C)(CNC(=O)N1CCC[C@H](CC#N)C1)C1CCCC1 595568151 AYEJUJAESHVNBF-CQSZACIVSA-N 291.439 3.538 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1c(C#N)cnn1C)CCC2 596180773 URYRSRRPBKEIIA-QGZVFWFLSA-N 294.402 3.905 30 20 CHED C=CCN(C(=O)N[C@H](CC)c1ccccc1)C(C)C 746963732 VTOALLNCSYONMX-OAHLLOKOSA-N 260.381 3.744 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1ccc(O)c(F)c1 740765706 OCJSKQSJZFUGFM-VURMDHGXSA-N 293.297 3.976 30 20 CHED CCc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)s1 849243732 NONWXVAKWVKRLD-FPLPWBNLSA-N 286.400 3.818 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@@H]3C)c2C#N)[C@H](C)C1 590999476 UFLRJKJGWOUQIJ-UKKRHICBSA-N 288.416 3.900 30 20 CHED Cn1c(SCC(C)(C)CC#N)nnc1-c1cccs1 594883606 PDUBGBVHKRAEKI-UHFFFAOYSA-N 292.433 3.576 30 20 CHED C=CCN(C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1)C(C)C 915153413 KTZPSXATXMWLNK-DZGCQCFKSA-N 275.392 3.759 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 916592707 VPJNHLCSUIRIDY-UHFFFAOYSA-N 285.303 3.527 30 20 CHED C[C@@H](CC(=O)OCC1(CC#N)CC1)CC(C)(C)C 744279365 JPIUEEDMXBGIQT-LBPRGKRZSA-N 251.370 3.686 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H]1CCN[C@H](C)C1 841985065 JIVCMORCEOIJRH-HZPDHXFCSA-N 297.487 3.519 30 20 CHED C=CCC[C@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 840605596 NXGXWBHBTOGMKE-VBNZEHGJSA-N 269.344 3.560 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CC[C@@H]2CCC[C@@H]2C1 741845928 ZMIVMBLZINHKSU-WTEISSSKSA-N 273.376 3.789 30 20 CHED N#C[C@@H](COC(=O)C1CC2(CCC2)C1)Cc1cccs1 842746287 KLMWXFSTLJSRGQ-LBPRGKRZSA-N 289.400 3.554 30 20 CHED Cc1ccsc1C=NNc1ccc(Cl)nc1 743449632 AWXSJONDKMZJOR-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CCCC/N=C(/NCc1ccc(C)cc1)NCc1ccoc1 849058874 YRTWFJJHEBZRKP-UHFFFAOYSA-N 299.418 3.624 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] 920376731 PSZNSSONYKFVEF-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C#CC[C@H](NC(=O)c1ccc(OCC)cc1)c1ccccc1 757596643 ITJFEWKTXSCUQT-SFHVURJKSA-N 293.366 3.580 30 20 CHED C=CC(C)(C)CCOC(=O)c1ccc(C(F)(F)F)cn1 851299173 ZVJFZBAVWBRPHC-UHFFFAOYSA-N 287.281 3.860 30 20 CHED C#CC[C@H](NC(=O)N[C@H](C)CCC(C)C)c1ccccc1 757058328 CVWKXFDTOWJHPW-WBVHZDCISA-N 286.419 3.875 30 20 CHED N#Cc1ccc(COC(=O)C=C2CCCCC2)c(F)c1 920412209 KRQCASJJJXWSFE-UHFFFAOYSA-N 273.307 3.631 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(F)c(F)c2)c1 759210893 VVRUWELFBWHCKZ-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CC(CC1CCOCC1)=NNc1nc2ccccc2s1 757560228 GDRLDOXWAJYCPD-UHFFFAOYSA-N 289.404 3.901 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=C1CCn2cccc21 753945931 BFWAXLCFMRJPNL-UHFFFAOYSA-N 297.255 3.866 30 20 CHED C#C[C@H](CC)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 754378989 FIUOSVCQINIASQ-SMDDNHRTSA-N 297.320 3.727 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c(CC)nn(C)c1CC 755755164 XWLDQXVDEXEWHT-CQSZACIVSA-N 292.471 3.827 30 20 CHED C=C[C@@H](OC(=O)[C@H](C)OCC(C)C)c1ccccc1 851453476 RHWARSJLDDBRFO-DZGCQCFKSA-N 262.349 3.518 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1F 756257153 DJYCAAOPSNECHY-QHHAFSJGSA-N 287.240 3.872 30 20 CHED Cc1cc(F)ccc1C=NNc1ncccc1C(F)(F)F 750937380 KIKBUJIAHJMIQH-UHFFFAOYSA-N 297.255 3.994 30 20 CHED C(=NN[C@@H]1CCSC1)c1ccc(-c2cccs2)cc1 853345613 GKZREAUVBNUKPN-CQSZACIVSA-N 288.441 3.844 30 20 CHED OCCCCCCON=C(c1ccccc1)C(F)(F)F 751965886 RMJQFPSHSUYTIG-UHFFFAOYSA-N 289.297 3.522 30 20 CHED C=CCCSCCN[C@@H](C)c1c(CC)noc1C 850503771 MQACOFUOYPBBAN-NSHDSACASA-N 268.426 3.505 30 20 CHED COCCCC(C)=NNc1ccccc1C(F)(F)F 759180060 VXIMLSLZXQPJCS-UHFFFAOYSA-N 274.286 3.920 30 20 CHED CC1(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CCC1 750705711 IVHWPFACITYETG-SNVBAGLBSA-N 288.347 3.802 30 20 CHED C#CCC(C)(C)c1nc(C2(c3cccc(F)c3)CC2)no1 858803525 FFORWKIAPVFZKN-UHFFFAOYSA-N 284.334 3.590 30 20 CHED C[C@H]1CCc2c(C(=O)O[C@H](C)C(C)(C)C#N)csc2C1 753627598 ZMKLWPMNNBJPHW-WDEREUQCSA-N 291.416 3.968 30 20 CHED Cc1nc(CN2CCC(c3ccc(C#N)cc3)CC2)cs1 933611765 NTJVECYVYPGMHF-UHFFFAOYSA-N 297.427 3.703 30 20 CHED CCCCCCCCC(=O)Nc1ccnn1CC1CC1 763782423 JSSJDGLCDXHXOK-UHFFFAOYSA-N 277.412 3.982 30 20 CHED C#C[C@@H](CC)OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 768061306 JEUJEAXBXNHINR-HNNXBMFYSA-N 296.322 3.718 30 20 CHED CC(=O)c1csc(C(=O)OCCCCC(C)(C)C#N)c1 768694919 BUGWBEORISRZJI-UHFFFAOYSA-N 293.388 3.828 30 20 CHED C#C[C@H](OC(=O)COC1CCCCC1)c1ccc(C)cc1 860966695 ZNAMCPVHKSHPHB-KRWDZBQOSA-N 286.371 3.562 30 20 CHED Fc1ccc(C=NNCc2ccc(F)c(F)c2)c(Cl)c1 767777749 YHWUXODCLCLKPE-UHFFFAOYSA-N 298.695 3.881 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@H]1CCc2ccccc21 860197932 JPPYTNNZDCPRIV-CQSZACIVSA-N 271.360 3.590 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1nccn1-c1ccccc1 935991438 GRFSMQLHLJCCMU-CABCVRRESA-N 297.402 3.652 30 20 CHED CCCCCCCNC(=O)c1cccc(C)c1NC(C)=O 862360544 PNTCOUQQGZXLMF-UHFFFAOYSA-N 290.407 3.654 30 20 CHED CCOc1cccc(/C=N\[C@H](C)c2cnc(C)s2)c1O 864347066 JLZAGRJQYMAGJG-NUEDXCKTSA-N 290.388 3.736 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](CCCC)COC)cc1 766076890 SFFZYLLELRIEBM-RDJZCZTQSA-N 289.419 3.554 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NO[C@@H]1CCCCO1 766715602 OXTVFDHWMHLFRA-IUODEOHRSA-N 259.349 3.750 30 20 CHED CCc1oc2ccccc2c1C=NOC[C@H]1CCCOC1 769879290 SIOQBTAWIFFJIB-ZDUSSCGKSA-N 287.359 3.772 30 20 CHED CCN(CCC1CC1)C(=O)c1ccccc1SCC#N 760984765 UGGOCUPNFBFPOD-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CCCCCCCc1nc(CCc2ccco2)no1 762331555 KATZFBOCYOTLPZ-UHFFFAOYSA-N 262.353 3.961 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc(Cl)c(C)c2)c(O)c1 760264034 JDDYGXPYSXNUFT-GQCTYLIASA-N 287.746 3.954 30 20 CHED COc1cccc2cc(/C=C/C(=O)c3ccco3)oc12 769771603 RBLLWPMMFJQADB-BQYQJAHWSA-N 268.268 3.931 30 20 CHED CCc1ccc(-c2nnc(-c3ccc(C#N)s3)o2)cc1 1118416189 ZXJKIGGLWQWYRF-UHFFFAOYSA-N 281.340 3.899 30 20 CHED COc1ccc(-c2cnccc2C)cc1C1(C#N)CC1 871888046 LNZREQLAOFSEOP-UHFFFAOYSA-N 264.328 3.621 30 20 CHED C#CCCCN1CCn2c(cc3c(Cl)cccc32)C1 773927359 XVFCUDUWCDHJGJ-UHFFFAOYSA-N 272.779 3.524 30 20 CHED C[C@H]1CCC[C@@H](COC(=O)c2c(F)cc(C#N)cc2F)C1 770995365 ATBOUNFKNURSSZ-WDEREUQCSA-N 293.313 3.820 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2ccc(C)c(OC)c2)c1 773142938 JGJNJLIIMSYRTJ-SOFGYWHQSA-N 298.338 3.614 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2cc(C#N)cs2)C[C@H]1C 770992111 BSHZVLFURQZSAV-CKYFFXLPSA-N 263.362 3.601 30 20 CHED C/C(=C\C(=O)OCC1(C#N)CC1)c1cccc(Cl)c1 775865830 XWEGYISMIUNJGJ-YRNVUSSQSA-N 275.735 3.590 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(-c2ccc(F)cc2)o1 775183131 IVKSYESQOBKMFU-LBPRGKRZSA-N 257.308 3.539 30 20 CHED C=C(C)CCOC(=O)c1cc2cc(OC)ccc2nc1C 770146129 VJPQJRALYJUVLE-UHFFFAOYSA-N 285.343 3.675 30 20 CHED Cc1ccc(/C=C2/C(=O)Nc3cc(C#N)ccc32)c(C)c1 773158319 BMTODDBKOMYNRX-CXUHLZMHSA-N 274.323 3.668 30 20 CHED C=C(CC)COC(=O)c1cnn(CC(C)C)c1C1CC1 773541098 GHHVHBDUCGYQPE-UHFFFAOYSA-N 276.380 3.540 30 20 CHED N#C[C@H](OC(=O)c1nc(Cl)ccc1F)C1CCCCC1 776395578 GTBJITFSCTZHQR-NSHDSACASA-N 296.729 3.503 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)Nc1nncn1C 779420904 PGKHCVPJIIXCIL-CYBMUJFWSA-N 280.416 3.530 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](CC=C)c2ccccc2)c1 777639453 GVAYAZGRLNJRAU-IBGZPJMESA-N 289.378 3.991 30 20 CHED COC1(C(=O)O[C@@H](C)c2cccc(C#N)c2)CCCCC1 774043264 DUOSYXWXQVHCIE-ZDUSSCGKSA-N 287.359 3.512 30 20 CHED C=C(C)[C@@H](CC(=O)OCCSc1ccccc1)OCC 784380932 PVFCCFBZKYWBHM-OAHLLOKOSA-N 294.416 3.693 30 20 CHED COc1ccc(CS[C@@H]2CC[C@@H](C#N)C2)c(OC)c1 882306681 ISGKZJACQKQRFZ-BXUZGUMPSA-N 277.389 3.629 30 20 CHED Cc1oc(C(C)C)cc1C(=O)O[C@H]1CC[C@@H](C#N)C1 1122646514 FDVIEJLTNQJJFY-NEPJUHHUSA-N 261.321 3.561 30 20 CHED CC(C)(C)CCNN=Cc1ccc(F)c2cccnc12 782902509 BFTHEPDVOURAAC-UHFFFAOYSA-N 273.355 3.734 30 20 CHED C[C@H]1CCC(=NNc2ncccc2Cl)[C@@H](C)C1 783833521 RQGNQENOHPZXCL-UWVGGRQHSA-N 251.761 3.959 30 20 CHED CCN(Cc1cnc(F)cc1C)[C@@H](C)c1ccc(C#N)cc1 891657692 ZWIZCBMUSUFWSV-AWEZNQCLSA-N 297.377 3.984 30 20 CHED CCCCCCC(=O)COC(=O)/C=C/c1ccccc1C#N 784200279 PEXSGMQETUSBQA-VAWYXSNFSA-N 299.370 3.654 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H](C)c1ccc(Cl)cn1 890093120 PAPKVDTYAZFWBA-JTQLQIEISA-N 267.756 3.942 30 20 CHED COc1ccc(C)cc1[C@@H](C)OC(=O)c1cccc(C#N)c1 781634172 QJTAKRHBGLNCRO-CYBMUJFWSA-N 295.338 3.793 30 20 CHED CO[C@H](C(C)=NNc1ccc(C#N)cc1)c1ccccc1 782199704 NZBFECNZUPXTQZ-QGZVFWFLSA-N 279.343 3.734 30 20 CHED COCCC1(C=NN=c2cc[nH]cc2Cl)CCCCC1 780230049 NRQHUMWACIFVCS-UHFFFAOYSA-N 295.814 3.542 30 20 CHED CC(C)(C)CN(C(=O)c1cc(C#N)cs1)c1ccccn1 891497525 LNGNGRAIYOGIOX-UHFFFAOYSA-N 299.399 3.708 30 20 CHED Fc1cc(NN=Cc2cccc(C(F)(F)F)c2)ccn1 781130096 ODAZFWORNDNZJW-UHFFFAOYSA-N 283.228 3.686 30 20 CHED CC1(C)C(=NO[C@H]2CCCCO2)C[C@@H]1Oc1ccccc1 789033479 IPFBIWWDQBNZTO-HOTGVXAUSA-N 289.375 3.763 30 20 CHED C=CCC[C@@H](C(=O)OCCCn1ccnc1)c1ccccc1 784826752 XCNXDKOMJZGFOP-QGZVFWFLSA-N 298.386 3.566 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCC1(C)C 789054142 FNZVLHWMWIMNOS-UHFFFAOYSA-N 266.776 3.841 30 20 CHED C[C@H](C#N)CNC(=O)N[C@@H](c1ccccc1)C1CCCCC1 781929991 USHFBYUPNSEPBJ-PBHICJAKSA-N 299.418 3.767 30 20 CHED CCC(=NOCCSC)c1cccc(Cl)c1F 794574860 UBWNEZHMKXQNGL-UHFFFAOYSA-N 275.776 3.973 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@@H]2CCC(F)(F)C2)c1 797397587 FLLMRANNRHQFPX-IPHDDYSGSA-N 283.318 3.645 30 20 CHED Cc1[nH]nc(NCc2cc(-c3ccccc3)cs2)c1C#N 1202715391 JLWQTUUTEDWLMU-UHFFFAOYSA-N 294.383 3.930 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccc2n[nH]cc2c1 794919019 NSMGLDAHAHYMAM-UHFFFAOYSA-N 298.777 3.730 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)Cc1ccc(C#N)cn1 578140241 CZZLWOQTWOZECG-OAHLLOKOSA-N 279.387 3.754 30 20 CHED CCCCCCO[C@@H](C)C(=O)Nc1cc(C#N)ccc1F 891454973 UONXRRYKJAYPLB-LBPRGKRZSA-N 292.354 3.621 30 20 CHED CCCNN=C(C)c1cc(C)c(Br)s1 794896041 VMGGGGWWYPVTDF-UHFFFAOYSA-N 275.215 3.543 30 20 CHED Cc1cc(NCCc2ccccc2Cl)cc(C#N)n1 553358773 TYBRBRLBNCSOLS-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1CCCCC 791066626 DPDOMAHDEMMIOE-CABCVRRESA-N 264.413 3.543 30 20 CHED C=C(C)COc1ccccc1CNC(=O)OC(C)(C)C 795229359 YWWHCKUQAKVCRJ-UHFFFAOYSA-N 277.364 3.666 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2sccc2C#N)[C@H](C)C1 1207287116 QBYZRFSLXOBFBC-FOGDFJRCSA-N 277.393 3.566 30 20 CHED COc1ccc(NN=C2CCC[C@H](C(C)C)C2)nc1 794534810 DNDNMSPKIBUYTQ-LBPRGKRZSA-N 261.369 3.704 30 20 CHED COc1cc(C#N)ccc1CSC/C(C)=C\Cl 797808981 VQESJNXPBOPDGQ-POHAHGRESA-N 267.781 3.943 30 20 CHED Cc1cccc2c(N3CCC(F)(F)CC3)c(C#N)cnc12 795273060 VWWXPQBIYLDTMH-UHFFFAOYSA-N 287.313 3.650 30 20 CHED C=CCC(C)(C)C(=O)OCc1nc([C@@H](C)SCC)no1 796463415 PCCDFPDQEQIRPR-SNVBAGLBSA-N 298.408 3.529 30 20 CHED CCCCc1ccc(OC(=O)[C@@](C)(C#N)CC)cc1 797178955 RXKZHKVQSMJWKI-MRXNPFEDSA-N 259.349 3.874 30 20 CHED CSCCON=C[C@@H](C)CCc1ccccc1 794574394 FMQRHVLALNLCSY-ZDUSSCGKSA-N 251.395 3.621 30 20 CHED N#CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 93097818 MYZHPHBLDOEVAH-UHFFFAOYSA-N 293.754 3.516 30 20 CHED CC(C)CCNc1ccc(Br)cc1C#N 96731021 MEJDFUCABRKZNQ-UHFFFAOYSA-N 267.170 3.779 30 20 CHED CNc1ccc(C)cc1CNc1cc(C#N)ccc1C 1308431591 XDIOCVMOCQEJCF-UHFFFAOYSA-N 265.360 3.829 30 20 CHED CCCc1cc(C(=O)N(CC)C[C@@H](C)C#N)sc1C 97727887 MVBVCVFSMHQUMF-NSHDSACASA-N 278.421 3.631 30 20 CHED C=CCCO[C@@H](C)c1nnc(COc2cccc(C)c2)o1 1323865553 AIDXHKRNPPLVJC-ZDUSSCGKSA-N 288.347 3.611 30 20 CHED C=C[C@@H](COC)NC/C(C)=C/c1ccccc1C(F)(F)F 1325185193 PQJXLEMCZHFNMV-TZIYXEQSSA-N 299.336 3.899 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cccc(Cl)c1Cl 1320306365 QZXTWBWAWKYMAW-ZJUUUORDSA-N 274.191 3.845 30 20 CHED CC(C)(C)ON=Cc1cc(F)ccc1Br 1253789698 UHWGPQSLZYAEAR-UHFFFAOYSA-N 274.133 3.737 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1sc(Cl)nc1C 1339152217 HLMGHESPCMDTLG-SNVBAGLBSA-N 284.812 3.676 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)[C@H]1CCCC[C@@H]1C 1336953437 HQKACSOBJJFDBP-LRDDRELGSA-N 288.366 3.738 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2C[C@H]3CCC[C@H](C2)C3)n1 1263137413 FZPYVHBJLKHWCR-SGMGOOAPSA-N 288.416 3.844 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(C)nc1Cl 1263647830 YNCYJBHAEDOSQP-UHFFFAOYSA-N 281.787 3.767 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(OC)cc1C 1344623034 YHLKPZJHUKZFER-CQSZACIVSA-N 288.391 3.966 30 20 CHED C[C@@H](CC(=O)OCC1(C#N)CCCCC1)c1ccco1 1342642024 CXIRGAAXKWHHFD-ZDUSSCGKSA-N 275.348 3.790 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccccc1C 1434914448 HMOBZVBCGXKNQS-CYBMUJFWSA-N 294.354 3.618 30 20 CHED Cc1ccccc1[C@H](C)C(=O)OCc1cc(C#N)ccc1F 1355239625 BICOMDZWXLYZOR-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1oc(C2CC2)nc1C(F)F 1525220036 KUEYWDFUISBLFB-MRVPVSSYSA-N 298.289 3.585 30 20 CHED C=C(C)Cn1c([C@@H]2CC=CCC2)nnc1N1CC[C@@H]2C[C@H]2C1 1524068293 ROVRZMVPOIITMG-OAGGEKHMSA-N 298.434 3.524 30 20 CHED C=C(CC)C(=O)Nc1cccc(Br)c1C 1527647529 TXWHDINZNPUNJB-UHFFFAOYSA-N 268.154 3.662 30 20 CHED CCOCc1ccc(NC(=O)c2ccccc2CC#N)cc1 1465454318 QQMQSNRFBANXAT-UHFFFAOYSA-N 294.354 3.541 30 20 CHED CCN(C[C@@H](C)CSc1ccccc1C)[C@H](C)C#N 1473669621 RSWNOZIWVVXCPI-UKRRQHHQSA-N 276.449 3.957 30 20 CHED Cc1cccc2c1CCN2c1nc(C#N)c(Cl)s1 1612795881 OHBNQAYNYJRHSE-UHFFFAOYSA-N 275.764 3.671 30 20 CHED N#CCC1CCN(Cc2cc(Cl)ccc2F)CC1 259995713 JMLXQUOJCRXFAY-UHFFFAOYSA-N 266.747 3.605 30 20 CHED Cc1cc(Sc2snc(C)c2C#N)ccc1C#N 1642833388 OGBPKRPIAAQVFL-UHFFFAOYSA-N 271.370 3.655 30 20 CHED CC(C)C1CCC(Nc2ncc(C#N)cc2F)CC1 1642407023 FVCNULNFWAFJFL-UHFFFAOYSA-N 261.344 3.719 30 20 CHED N#Cc1ccccc1OCCN(CC1CCCCC1)C1CC1 1653184359 AWWGYGKZIRLFQF-UHFFFAOYSA-N 298.430 3.982 30 20 CHED N#Cc1ccnc(CN2CCCc3cc(Cl)ccc32)c1 1653397035 KKDIXTFSWNUPTD-UHFFFAOYSA-N 283.762 3.559 30 20 CHED N#Cc1cnnc(NCC2(c3cccc(Cl)c3)CCC2)c1 1652138688 GTULQTFRXGWOQO-UHFFFAOYSA-N 298.777 3.535 30 20 CHED C[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccsc1 1587608869 CFLUTDRJINBNBB-NSHDSACASA-N 270.357 3.556 30 20 CHED N#Cc1cncnc1SCc1c(Cl)cccc1Cl 1650699541 BRRUMEOBWYNEQQ-UHFFFAOYSA-N 296.182 3.947 30 20 CHED C=CCC[C@@H](C)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 230660269 ABAKYXWIWYCHLL-CABCVRRESA-N 296.455 3.578 30 20 CHED C[C@@H](NN=C1CCC[C@@H](CCCC(=O)O)C1)C(C)(C)C 1593318166 BLQRDAJFKVFJNZ-OLZOCXBDSA-N 282.428 3.812 30 20 CHED Cc1cccc(NC(=O)[C@H](C)C#N)c1OCc1ccccc1 1597665168 ZIOHEHYFFFBPGY-CQSZACIVSA-N 294.354 3.672 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)c1cc(F)ccc1F 232526051 OWUOTALWDVUDFV-LJQANCHMSA-N 285.359 3.792 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCC[C@@H](C)CCC)C1 1776156366 BLUPLDOUGDRWHC-RDJZCZTQSA-N 281.440 3.946 30 20 CHED C=C1C[C@@H](C(=O)O)N(Cc2ccc(C(C)(C)CC)cc2)C1 1776146479 ZXCJDZQVGCQGGJ-INIZCTEOSA-N 287.403 3.589 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@H]2CCCC(C)(C)C2)C1 1776153639 PJGITYOQCCZYRV-YJBOKZPZSA-N 293.451 3.946 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1C 11285753 WANUMXQFCLDTFX-WEVVVXLNSA-N 277.323 3.771 30 20 CHED COc1ccc(C)cc1CSCCCSCC#N 158893354 NKFWMUWPDNFEQV-UHFFFAOYSA-N 281.446 3.884 30 20 CHED Cn1cc(CNc2cccc(C#N)c2)c(C2CCCCC2)n1 154055855 IQENPYQYLWAIIW-UHFFFAOYSA-N 294.402 3.952 30 20 CHED CC(C)(C#N)C(=O)NCCc1cccc(-c2ccccc2)c1 155834546 CBNLOTPKZSZGIV-UHFFFAOYSA-N 292.382 3.562 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)CCn1ccc2ccccc21 154615132 WGJPXDPRIQAGLB-OAHLLOKOSA-N 284.359 3.513 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1SC(F)(F)F 845372455 IRWJJOXRLXJVKS-MRVPVSSYSA-N 288.294 3.787 30 20 CHED N#CCC[C@@H](NCc1ccccc1)c1ccccc1 130584329 PLHKANBKFKIMPM-QGZVFWFLSA-N 250.345 3.821 30 20 CHED C=CCN(CC=C)Cc1sccc1Br 142810923 VMYCYQGVDJNUCV-UHFFFAOYSA-N 272.211 3.685 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 37141714 XMZQEDJVDAXMEZ-UONOGXRCSA-N 282.309 3.769 30 20 CHED C[C@@H](NCCc1cccs1)c1ccc(OCC#N)cc1 37211797 WSJDYCSEIHULNV-CYBMUJFWSA-N 286.400 3.544 30 20 CHED C[C@H](NC1CCCCCC1)c1ccc(OCC#N)cc1 37218299 OTXXDYMAAFIXAY-AWEZNQCLSA-N 272.392 3.962 30 20 CHED Cc1cc(C#N)ccc1COc1cc(F)cc(F)c1 165560959 WYZKCUIXYBYAKV-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=C(Cl)CN[C@H]1CCc2sc(Br)cc21 306407846 XZJGBASCBQRKBG-QMMMGPOBSA-N 292.629 3.840 30 20 CHED Cc1cc(C#N)cc(NCc2ccc3cc[nH]c3c2)c1 308154008 MUVYIMHGXGXZNZ-UHFFFAOYSA-N 261.328 3.960 30 20 CHED CC[C@@H](CC#N)NCc1csc(C(F)(F)F)c1 600153303 YIMUOHBIRPCXRA-VIFPVBQESA-N 262.300 3.549 30 20 CHED C=CCC(C)(C)CNCc1cccc2c1OCCCO2 312644256 RSBBKBSSODVCSL-UHFFFAOYSA-N 275.392 3.540 30 20 CHED N#CCc1cccc(NC(=O)Cc2cccc(Cl)c2)c1 313448015 ORWCFBXLSZTFJB-UHFFFAOYSA-N 284.746 3.587 30 20 CHED C[C@H]1c2ccccc2CN1C(=O)C1(C#N)CCCCC1 336390942 RKAIEHWOCCKMMW-ZDUSSCGKSA-N 268.360 3.564 30 20 CHED CC1(C)CCCCN(Cc2ccc(CC#N)cc2)C1 446071415 PUYRTUWJRZTQDK-UHFFFAOYSA-N 256.393 3.765 30 20 CHED CC(=O)c1ccc(OCc2ccc(CC#N)cc2)cc1 342512100 PEXVMBRABVVMQR-UHFFFAOYSA-N 265.312 3.534 30 20 CHED N#Cc1c(F)cccc1NCC1(C(F)(F)F)CCC1 343946998 LRBIQCKAFCHJJI-UHFFFAOYSA-N 272.245 3.842 30 20 CHED CC(C)c1ncc(CN2CCC(CCC#N)CC2)s1 576108634 RLDIRVUVJUGEAT-UHFFFAOYSA-N 277.437 3.782 30 20 CHED C=CCN(Cc1ccccc1)CC1(OC)CCCC1 483157333 OTEACKDYHVEVQR-UHFFFAOYSA-N 259.393 3.634 30 20 CHED CC1(C)CCCN(Cc2cnc(C3CC3)s2)[C@@H]1C#N 572103514 BFXCLMXKVLKOMU-CYBMUJFWSA-N 275.421 3.535 30 20 CHED N#CCCCSc1nnc(Nc2cccc(F)c2)s1 7577167 HTMGOFCBOGJUTA-UHFFFAOYSA-N 294.380 3.817 30 20 CHED Cc1ccsc1CN(C)C(=O)CCc1ccc(C#N)cc1 53665291 HSGMDAKWHYSIHD-UHFFFAOYSA-N 298.411 3.519 30 20 CHED N#Cc1ccc(/C=C/c2cc(F)c(F)c(F)c2)nc1 171045904 IWMZMEWIOQJEGO-HNQUOIGGSA-N 260.218 3.541 30 20 CHED N#Cc1cc(F)ccc1COc1ccc(F)c(F)c1 102971964 JMGHDXUSOUHYRT-UHFFFAOYSA-N 263.218 3.555 30 20 CHED Cc1cccc([C@@H](C)CNCc2ccc(C#N)s2)c1 176974840 QHXQSHYBIQNPLG-ZDUSSCGKSA-N 270.401 3.822 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(F)cc1Cl 178643027 UYLBALXXKFFKDV-SNVBAGLBSA-N 254.736 3.824 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C 66414635 IUWWJAKMINFDSP-PBHICJAKSA-N 284.403 3.528 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(C)c1Cl 174939217 MVHSLPDZVRLPFK-UHFFFAOYSA-N 264.756 3.854 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@H](C)CC#N 115350611 ZRRRWJWRICDCBK-UKRRQHHQSA-N 264.413 3.647 30 20 CHED Cc1ccc(-c2noc(C3(C#N)CCCC3)n2)cc1F 177722234 XQRKGTSIGBWYCC-UHFFFAOYSA-N 271.295 3.520 30 20 CHED CC(=O)Nc1cccc(CSCc2ccccc2C#N)c1 171125403 FKOYJAREHARHIJ-UHFFFAOYSA-N 296.395 3.950 30 20 CHED N#CCCCCN[C@H](c1ccccc1)c1nccs1 171036390 QULACXVXSPUQLS-CQSZACIVSA-N 271.389 3.516 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@H](O)CC(C)C)c2c1 301392577 BTRKTHNDOJUZJZ-OAHLLOKOSA-N 297.402 3.542 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)c1cccc(CC#N)c1 177813848 XISCZGACVHRYLB-UHFFFAOYSA-N 286.419 3.897 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)s1 170851859 GYJUMQPFGVLHHL-FNORWQNLSA-N 262.305 3.797 30 20 CHED CC1(C(=O)OCc2ccc(C#N)s2)CCCCC1 1349877411 GKIUOBSDIZIJHO-UHFFFAOYSA-N 263.362 3.633 30 20 CHED COc1cccc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)c1 63875028 TZTDKCBNILOXRB-MDZDMXLPSA-N 298.386 3.986 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)c1ccc(C#N)nc1 301501847 GOQKURVCGTZPPL-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=C[C@H](Sc1ccc2ccccc2c1)C(=O)OC 302483767 YYKTVLFGZJMUNA-AWEZNQCLSA-N 258.342 3.660 30 20 CHED C[C@H](NCCCCC#N)c1cccc(OC(F)(F)F)c1 178649709 HFANTBBMQLSWFA-NSHDSACASA-N 286.297 3.930 30 20 CHED CC(C)CCCNC(=O)N[C@H](CCC#N)c1ccccc1 178766651 RVGDBHFFTRAPLN-MRXNPFEDSA-N 287.407 3.767 30 20 CHED COc1ccc2ccccc2c1CNCc1ccc(C#N)o1 174254269 DWZLZLGJWLYDAK-UHFFFAOYSA-N 292.338 3.603 30 20 CHED C[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@H]2CCCC[C@@H]12 302205040 WQWKQJKHZPJRCP-OSMZGAPFSA-N 275.783 3.622 30 20 CHED CC#CCNc1ccc(F)cc1OCCC(F)(F)F 409847215 JRYFVIVFXNWXIZ-UHFFFAOYSA-N 275.245 3.592 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccccn1 181385183 RDDMVONQDMGBMG-KBPBESRZSA-N 275.396 3.529 30 20 CHED N#CCCCCSCc1nc(-c2ccccc2F)no1 187891712 ISDPVZHVEKOCTB-UHFFFAOYSA-N 291.351 3.803 30 20 CHED CC(C)N(CCC#N)Cc1cccc(F)c1Br 211614970 FMWJTHLMQZVTOB-UHFFFAOYSA-N 299.187 3.712 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1ccccc1C 128224059 RTOABPAZJISHGU-JKSUJKDBSA-N 257.377 3.523 30 20 CHED N#CC1(COC(=O)CCn2ccc3ccccc32)CCCC1 183904524 OLHTZUHVSJLCME-UHFFFAOYSA-N 296.370 3.659 30 20 CHED Cc1ccc([C@@H]2CCCN2CCCSCC#N)cc1 74980395 ONFDRPXPVAQYSE-INIZCTEOSA-N 274.433 3.779 30 20 CHED C[C@H](CC(=O)N1CCc2cc(C#N)ccc21)c1ccccc1 416016795 IPGMVKIWUDAVNQ-CQSZACIVSA-N 290.366 3.641 30 20 CHED C#CCCCCC(=O)OCc1ncc(-c2ccccc2)o1 180614090 RDFDFGSUEREMAA-UHFFFAOYSA-N 283.327 3.578 30 20 CHED C=C(C)CN(CC)CCCc1nc(-c2ccccc2)no1 78662434 CEJQIDPBTADHDR-UHFFFAOYSA-N 285.391 3.567 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2COc2ccccc2)s1 125443537 SZZARKJDTKOTKS-AWEZNQCLSA-N 298.411 3.663 30 20 CHED Cc1cc(C)c(C#N)c(S[C@H](C)c2nnc(C)s2)n1 181710139 JFBYXOORMWYDOL-SECBINFHSA-N 290.417 3.583 30 20 CHED CO[C@@H](C)c1nc(CSCC2(C#N)CCC2)cs1 419412958 DZRBJPQCGIRZIF-JTQLQIEISA-N 282.434 3.778 30 20 CHED N#Cc1ccccc1COc1c(F)cccc1Cl 215510619 WDQZWVKGOMSZFN-UHFFFAOYSA-N 261.683 3.930 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1cccc(F)c1C#N)CCO2 315742607 OEMHHGWHBFVAJE-INIZCTEOSA-N 298.317 3.642 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCC1 155531928 JDWJHXDVUFUPMA-UHFFFAOYSA-N 299.157 3.721 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C1CCC=CCC1 602308981 SEKKBOGORUMNAP-UHFFFAOYSA-N 262.397 3.664 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc2c(c1)CCO2 184771231 BWXWJTDBUYXAQH-DUXPYHPUSA-N 286.352 3.588 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2c1cc(F)c(F)c2F 411067217 VRNDIHBYLOCRHX-UHFFFAOYSA-N 297.320 3.985 30 20 CHED N#CCc1c(C(F)(F)F)cccc1C(F)(F)F 44370861 FEVSGILCUHGGLS-UHFFFAOYSA-N 253.145 3.790 30 20 CHED C#CCCOc1ccc(CN(C)[C@@H](C)c2ccccn2)cc1 183673983 CBLCQXRFJJXENB-INIZCTEOSA-N 294.398 3.677 30 20 CHED N#CCCCCSc1nc2c(cc1C#N)CCCC2 182847137 HCTXHKNQESGAOT-UHFFFAOYSA-N 271.389 3.618 30 20 CHED CC(C)[C@@H]1CCCN(CCOc2ccccc2C#N)CC1 79378645 YUBVJOOXKKPFHB-MRXNPFEDSA-N 286.419 3.695 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(F)c(F)c2)cnn1C(C)C 188882176 QVGCQNLMTSBJOO-FNORWQNLSA-N 290.313 3.947 30 20 CHED COc1ccc(Cl)cc1CN1CCCC(C)(C)[C@@H]1C#N 444717036 HPPFABBRECGTCG-HNNXBMFYSA-N 292.810 3.863 30 20 CHED CO[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 185846936 XBLQUDMYSZWQHQ-MAZHCROVSA-N 292.810 3.699 30 20 CHED Cc1ccc(N(C)C(=O)c2cccc(SCC#N)c2)cc1 79462447 GLMUTMGVZQBLAA-UHFFFAOYSA-N 296.395 3.887 30 20 CHED Cc1ccc(-c2csc(NC(=O)C3(C#N)CCC3)n2)cc1 128015274 KTHOIQXTXURWIM-UHFFFAOYSA-N 297.383 3.751 30 20 CHED C=C(C)[C@@H](NC(=O)CC1CCC1)c1ccc(F)c(F)c1 186057821 SZUKJWIYQCQTHI-MRXNPFEDSA-N 279.330 3.888 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(F)cc1Cl 181140031 UROUVKFATQWRDC-SNVBAGLBSA-N 284.762 3.758 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](C)CC(F)F)c1 411937816 MJHBXJCLSQUXRK-LLVKDONJSA-N 283.318 3.871 30 20 CHED CCN(CCC#N)C(=O)c1csc(C2CCCCC2)n1 412174629 IKJAXHMKOSZQLL-UHFFFAOYSA-N 291.420 3.567 30 20 CHED N#CCc1cccc(NCc2ccc(N3CCCC3)cc2)c1 313412972 UKJIEIWQOHZKSD-UHFFFAOYSA-N 291.398 3.965 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ncc(C)s1 414539196 RTRAWXUGXGRIAI-OAHLLOKOSA-N 272.417 3.729 30 20 CHED C=C(C)CCN(CC)CC1CCN(c2ccccn2)CC1 509658423 QILJKSYRWSKXEE-UHFFFAOYSA-N 287.451 3.586 30 20 CHED CCCCN(CCCC)C(=O)NCc1cccc(C#N)c1 46040540 BRCLEMLLMJYZOF-UHFFFAOYSA-N 287.407 3.670 30 20 CHED Cc1c(C(=O)/C=C/c2ccsc2)cccc1[N+](=O)[O-] 130062411 MOSZXSMZTWVMDJ-AATRIKPKSA-N 273.313 3.861 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(Cl)ccc1OC 500104801 PXWPNWXWSLSFFS-LLVKDONJSA-N 282.771 3.825 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)C[C@@H]1C 413834697 MIEOEOQCVYOOJQ-YQQAZPJKSA-N 286.419 3.614 30 20 CHED CC[C@@H](C)[C@H](NCCC#N)c1ccc(Cl)cc1 411476607 UXXSAVLIWCHGKA-RISCZKNCSA-N 250.773 3.930 30 20 CHED C=CCCCN(C)Cc1ccc(F)c(Br)c1 605150234 OTMLGYHBADZPSG-UHFFFAOYSA-N 286.188 3.986 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC(F)(F)C1 412843046 RQTHUMYPLUMOOE-LSDHHAIUSA-N 293.357 3.725 30 20 CHED N#C[C@@H](C(=O)Cc1ccc2ccccc2c1)c1ccccn1 46706240 AVGQZTHRGRXYFQ-QGZVFWFLSA-N 286.334 3.654 30 20 CHED CCC(C)(C)C(=O)CSc1ccc(C#N)cc1F 412996475 TTYQXRMVGCIZJB-UHFFFAOYSA-N 265.353 3.795 30 20 CHED Cn1nc(CNc2ccc(C#N)c(Cl)c2)c2ccccc21 89174072 PMBFHEABIYPPGP-UHFFFAOYSA-N 296.761 3.710 30 20 CHED COCc1ccc(/C=C/C(=O)c2cccs2)cc1 132413263 XJEGEWWAYZSQCT-CMDGGOBGSA-N 258.342 3.791 30 20 CHED N#CCCCOC(=O)c1ccc(-c2ccccc2F)o1 194500733 PXHQEJSOPZKPRT-UHFFFAOYSA-N 273.263 3.546 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccccn1 414291691 BMTNRJRWLWOTFH-RDJZCZTQSA-N 266.388 3.920 30 20 CHED Cc1cc(OC(=O)CCc2ccc(C#N)cc2)ccc1F 131838672 KAUCHDYRZBICEW-UHFFFAOYSA-N 283.302 3.544 30 20 CHED Cc1ccccc1C(C)(C)CNC(=O)c1cc(C#N)cs1 84091437 WHJSWSIXZWFVGZ-UHFFFAOYSA-N 298.411 3.636 30 20 CHED C=CCSCCNc1nc2ccccc2s1 223894909 JQVRGVFFWMHKLS-UHFFFAOYSA-N 250.392 3.627 30 20 CHED CC(C)OCc1cccc(NC(=O)C#Cc2ccccc2)c1 81591810 SJLCTUHHGQCHOL-UHFFFAOYSA-N 293.366 3.602 30 20 CHED CCn1nncc1/C(O)=N/[C@@H]1CCC[C@@H](C(C)(C)C)CC1 329024844 UYOUXBPMCHQZED-CHWSQXEVSA-N 292.427 3.598 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2ccc(Cl)s2)C1 193812629 DFGHRGJEUSTYPF-IINYFYTJSA-N 296.823 3.533 30 20 CHED Cc1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 46062215 OBTCMLGAMGFGEO-UHFFFAOYSA-N 279.343 3.531 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(C(=O)OC)cc2)o1 83987948 ARYCVGNSTDXIKL-UXBLZVDNSA-N 284.311 3.525 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)NCC#Cc1ccccc1 45430967 JSVHBHINBOEXKO-CQSZACIVSA-N 298.411 3.502 30 20 CHED Cc1cccc(CN(C)Cc2ccc(F)cc2C#N)c1C 428706665 CCBUFDUBHOARJX-UHFFFAOYSA-N 282.362 3.946 30 20 CHED COc1cccc(C(=O)CSc2ccc(C#N)cc2)c1 48512115 HFZLPPHFGWSRHX-UHFFFAOYSA-N 283.352 3.542 30 20 CHED CC(C)(C#N)CCN(CCc1cccc(F)c1)C1CC1 131604885 NOBIGTUQLJMUQS-UHFFFAOYSA-N 274.383 3.772 30 20 CHED CO[C@H]1CCCC[C@@H]1C(O)=Nc1scnc1C1CC1 328980608 XWVGGEFMSLKQDD-QWRGUYRKSA-N 280.393 3.814 30 20 CHED CN(Cc1ccc(F)cc1F)Cc1ccc(C#N)cc1F 43630305 ZSUGVJVYWGJAOS-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C[C@@H](C)C1CCCCC1 511647642 ZDJUXRVYYPRWDQ-UONOGXRCSA-N 264.413 3.601 30 20 CHED Cc1noc(C)c1C/N=C(/O)[C@@H]1CCC(=O)c2ccccc21 328879336 VEOVZJGIHATDNO-CQSZACIVSA-N 298.342 3.508 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N[C@@H]1CC[C@H](C#N)C1 424965491 JATUCLCAMNGFLJ-YHUYYLMFSA-N 296.414 3.784 30 20 CHED C=C(CNC(=O)N1C[C@@H](C)C[C@H]1CC)c1ccccc1 512678010 NWZFHJXSEVIHGA-XJKSGUPXSA-N 272.392 3.530 30 20 CHED O/C(=N/[C@@H]1CCCC[C@H]1c1ccccc1)c1cncnc1 329567479 LEEDPTCTPZMMQD-JKSUJKDBSA-N 281.359 3.508 30 20 CHED C[C@@H](COc1cccc(F)c1)Nc1ccc(C#N)cc1 513697724 QWMWQEDVXXUOQA-LBPRGKRZSA-N 270.307 3.577 30 20 CHED C#CCCCC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 192278735 RRGHFRUGWIQIFT-KRWDZBQOSA-N 273.351 3.587 30 20 CHED O=C(/C=C/c1cncs1)c1c[nH]c2cc(F)ccc12 130052975 ZQNIPPIVIFULPI-DUXPYHPUSA-N 272.304 3.660 30 20 CHED COc1cc(CNc2ccccc2O[C@@H](C)C#N)ccc1C 194412707 DVOVBVJWWVXQAG-AWEZNQCLSA-N 296.370 3.907 30 20 CHED Cc1ccccc1CCCN(CC#N)C1CCCC1 84678075 XHYXKGHPJQFYJG-UHFFFAOYSA-N 256.393 3.696 30 20 CHED C[C@@H]1CCc2c(sc(NC(=O)C[C@@H]3C[C@H]3C)c2C#N)C1 516944227 YYAOKZQLNAYBJJ-MXWKQRLJSA-N 288.416 3.729 30 20 CHED CC(=O)c1ccc(NCc2cn3ccccc3c2C#N)cc1 193397247 QTDONSQZTFCWRS-UHFFFAOYSA-N 289.338 3.626 30 20 CHED N#Cc1csc(C(=O)N[C@H](c2ccccc2)C2CCC2)c1 84108011 KMOOWXJCHAGLLH-MRXNPFEDSA-N 296.395 3.891 30 20 CHED Cc1cc(F)ccc1-c1ccc(CN(CC#N)C2CC2)o1 511973339 NNBBWMOVLJZWMN-UHFFFAOYSA-N 284.334 3.882 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](CC)Cc1ccccc1C 425577386 FMXMWKTZYUIZBH-DOTOQJQBSA-N 286.419 3.714 30 20 CHED C=C[C@H](CC(=O)N(C(C)C)C(C)C)c1ccccc1 89763899 PRGOUBGFFYLUEI-OAHLLOKOSA-N 259.393 3.992 30 20 CHED C#CCCCCC(=O)N(Cc1ccsc1)c1cccnc1 193507570 PDCFBHNAJBITEW-UHFFFAOYSA-N 298.411 3.870 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)C[C@H](C)CC 338785997 DFECWSQAZKTKQZ-CYBMUJFWSA-N 276.428 3.604 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC23CCCC3)s1 421354617 WXMPXXWGRQELDZ-CQSZACIVSA-N 260.406 3.822 30 20 CHED Cc1cccc(N(C(=O)c2ccc(C#N)o2)C(C)C)c1 334517866 JUYGTTKRGYBVNW-UHFFFAOYSA-N 268.316 3.515 30 20 CHED CSc1cccc(NC(=O)c2ccc(C#N)cc2)c1C 336619361 NCDJJYRWZBSAAZ-UHFFFAOYSA-N 282.368 3.841 30 20 CHED CC1(C)CC[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 334728462 DPZWTEDEWZKUEW-CYBMUJFWSA-N 291.782 3.716 30 20 CHED Cc1c(C(=O)N(C)Cc2cccc(C#N)c2)ccn1C(C)C 338805054 DWCYGMWCDPFMDP-UHFFFAOYSA-N 295.386 3.521 30 20 CHED C/C(=C/c1ccccc1)CN(CCC#N)Cc1ccccn1 93100560 OLHOQLLECPSSST-VKAVYKQESA-N 291.398 3.901 30 20 CHED N#Cc1ccc(CN[C@H]2CCOC3(CCCCC3)C2)cc1 94368335 UHIWDFUPZUCPQQ-KRWDZBQOSA-N 284.403 3.530 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCCC[C@H]1C 424650361 UIZYLHVTQPXMML-HUUCEWRRSA-N 264.413 3.601 30 20 CHED N#Cc1ccc(C(=O)N2CCC=Cc3ccccc32)s1 335679840 ZRBAWWSRSYTJNU-UHFFFAOYSA-N 280.352 3.683 30 20 CHED CC(C)[C@H]1N(Cc2ccc(C#N)c(F)c2)CC12CCC2 421357795 QQQDCCDFOOVMKP-MRXNPFEDSA-N 272.367 3.708 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(Cl)cc1OC 421853101 IMQKTVXIMIXHGL-DFBGVHRSSA-N 295.810 3.733 30 20 CHED N#Cc1cccc(COc2ccc(N3CCCC3)cc2)c1 92316643 COLLAZWTSKOCJS-UHFFFAOYSA-N 278.355 3.737 30 20 CHED C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 334525613 KNNOHBDHRNVECF-PWSUYJOCSA-N 276.767 3.781 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(C)c(Br)c(C)c1 232039444 PXBRNPSRFIHTJS-JTQLQIEISA-N 295.180 3.554 30 20 CHED Cc1ccc([C@H]2CCCN2c2cccc(C#N)n2)cc1 339220850 ULQBQXPKEWWGNW-MRXNPFEDSA-N 263.344 3.603 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C#N)oc1C 336153027 REYBSKIQEKOBAI-DOMZBBRYSA-N 274.364 3.501 30 20 CHED Cc1cc(F)cc(-c2noc(-c3ccc(C#N)cc3)n2)c1 230996376 VBUNDIMQYLHLBW-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C=CCC[C@@H](NCCc1cc(F)cc(F)c1)C1CC1 438988313 WAMHCSPUFIJRER-MRXNPFEDSA-N 265.347 3.842 30 20 CHED N#Cc1c(F)cccc1CN[C@H](c1ccccc1)C(F)F 433059539 UFVHHYAWCYRLQX-OAHLLOKOSA-N 290.288 3.793 30 20 CHED COCCN(CCC#N)Cc1ccc(-c2ccc(C)cc2)o1 93100189 KYSZGBCIHUMAMO-UHFFFAOYSA-N 298.386 3.617 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1cc(Cl)ccc1C#N 435583484 GYAYKUCAPVTOTK-SWLSCSKDSA-N 276.767 3.605 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 521828000 JCROFPMWVDYFEI-OUCADQQQSA-N 286.375 3.578 30 20 CHED N#Cc1cc(NCCc2ccccc2C(F)(F)F)ccn1 341849312 ZKWHUHRSCKZIKF-UHFFFAOYSA-N 291.276 3.627 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 248021689 UXELKOKIAPYIIQ-OKZBNKHCSA-N 296.414 3.731 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1c(C)nsc1C 431946351 PAHZRPRSZJUEJT-UHFFFAOYSA-N 286.400 3.588 30 20 CHED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(C)C 341759238 GWEGKOJKGXTONM-DLBZAZTESA-N 256.393 3.960 30 20 CHED Cc1cc(C)n(-c2ccccc2CNC[C@@H](C)CCC#N)n1 602568537 OOKCESQBNCGITO-AWEZNQCLSA-N 296.418 3.519 30 20 CHED Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(C#N)cc2)s1 600990301 RCUQVPSNPJIPOM-GFCCVEGCSA-N 284.384 3.728 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(C#N)s1 245741660 LXUILEHTIXEJDB-LALPHHSUSA-N 260.406 3.773 30 20 CHED Cc1c(C#N)c(S[C@@H]2C=CCCC2)nc2c1CCC2 609406969 MCAIEGTVAXFMBF-GFCCVEGCSA-N 270.401 3.951 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(C)cc1 604900723 DIXHZXPKNAEQFP-HOCLYGCPSA-N 272.392 3.806 30 20 CHED N#Cc1csc(C(=O)Nc2ccc3ccoc3c2)c1 343956519 DVXWPBKYCUAUIJ-UHFFFAOYSA-N 268.297 3.618 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccncc1F 340308582 JAIPPZHAXJHHGM-SUMWQHHRSA-N 283.350 3.916 30 20 CHED CC[C@H](CC(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C 609162808 UEGWZMSZRDKZAT-UKRRQHHQSA-N 272.392 3.808 30 20 CHED Cc1ccc(F)c(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 433228505 AVSMPHOPXAAMHY-OAHLLOKOSA-N 296.345 3.845 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(C(=O)OC)o2)s1 255291695 YXUUZANXPJAUNC-DAXSKMNVSA-N 290.340 3.586 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(F)ccc1-c1ccoc1 349873907 DXEJTDPECAOMAJ-LLVKDONJSA-N 273.307 3.780 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H]1CC[C@H](C)CC1 538363316 AENYUFHAHNFKGF-MGPQQGTHSA-N 252.402 3.609 30 20 CHED Cc1cocc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 529052902 ZTLSMJCOIPMVOY-UHFFFAOYSA-N 288.391 3.817 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1sc(C)c(C)c1C#N 341456466 IMYXKZCVBWFBKF-SMDDNHRTSA-N 262.378 3.611 30 20 CHED CCCON=C(C)c1nc2ccccc2n1C(F)F 255198275 ASFHYGBEQSYGTR-UHFFFAOYSA-N 267.279 3.582 30 20 CHED CC(F)(F)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 340426751 NSGLNORQUNQELG-JSGCOSHPSA-N 264.319 3.580 30 20 CHED Cc1ccc([C@@H](C)CN2CCC(C)(C#N)CC2)cc1 600147086 KYQMLHVHCNNSBF-HNNXBMFYSA-N 256.393 3.724 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(CC)Cc1ccc(C)cc1 525831213 CVPPTWQWXUHGQQ-SFHVURJKSA-N 289.419 3.572 30 20 CHED C[C@@H](C#N)CN(CCc1cccc(C(F)(F)F)c1)C1CC1 600121563 WSELMCUSCSPYAI-LBPRGKRZSA-N 296.336 3.872 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(F)ccc1C 606816458 ZVGVBVRQDAYSIS-UHFFFAOYSA-N 263.356 3.953 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2cc(Cl)cc(Cl)c2)C1 442768986 PNAOFXCQNVSYRY-RISCZKNCSA-N 283.202 3.818 30 20 CHED COC1(CN[C@H](C)c2ccc(C#N)cc2)CCCCC1 184670836 PEKATVQHGWZSCP-CQSZACIVSA-N 272.392 3.558 30 20 CHED N#CC[C@H](CC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 355464692 MHAYWYMXAXUDOO-OWLYRPNTSA-N 296.414 3.626 30 20 CHED Oc1ccccc1/C=N\Cc1nnc(-c2ccccc2)s1 255688511 WJUGUKBIAULCSC-YVLHZVERSA-N 295.367 3.530 30 20 CHED C=C(CC)CNc1cc(Cl)ccc1C(=O)N1CCCC1 358669001 UJSVGCFOFQFJPB-UHFFFAOYSA-N 292.810 3.954 30 20 CHED COc1ccc(CN(C[C@H](C)CCC#N)C2CC2)cc1 602437801 YDUOBHXJQWFBGO-CQSZACIVSA-N 272.392 3.599 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 354388085 KFTUNKCUFZZRGA-GDBMZVCRSA-N 296.370 3.887 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H]2Cc3ccccc32)c1 607821587 QEIBQFNEHFXFHD-GOSISDBHSA-N 293.366 3.920 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(OC(C)C)cc1 538544153 FXSDAANDEPGYIR-HNNXBMFYSA-N 290.407 3.628 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 266950870 SUVIDDKVEMIJJZ-SCZZXKLOSA-N 285.174 3.515 30 20 CHED CCCC(=O)Nc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1C 442874264 MJONCXSKXXDAPM-ZIAGYGMSSA-N 285.391 3.838 30 20 CHED CC[C@H](C)[C@H](C)NCCSCc1ccccc1C#N 536856932 IBMKJZMJGJBDQP-KBPBESRZSA-N 276.449 3.816 30 20 CHED CS[C@@H]1CCC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 353278868 SOZVNQPZQRLRRD-UXLLHSPISA-N 286.444 3.809 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1cc(C)oc1C 353161353 CLEZJCDBHPPADQ-DGCLKSJQSA-N 264.369 3.611 30 20 CHED C=CCC[C@H](CC)NCc1ccnc(SC)c1 357857159 VGXACNUKRXACAF-ZDUSSCGKSA-N 250.411 3.638 30 20 CHED N#C[C@@]1(C(=O)N2CCC3(CCCC3)CC2)CC12CCCC2 449909937 CZACGNZQKQUFGO-GOSISDBHSA-N 286.419 3.643 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(F)c1 537183453 DJQZXOJZRBYXBL-NSHDSACASA-N 250.317 3.692 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC1CCCCC1)C1CC1)OCC 535124594 DDICNPMWJDKKQM-QGZVFWFLSA-N 293.451 3.929 30 20 CHED C=C[C@H](C)NC1CC(c2ccc(Br)cc2F)C1 449196875 ZORYACSQQQEUFQ-BMQDGWLCSA-N 298.199 3.998 30 20 CHED CC(C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 264361625 SBZSGJVMUDOHEL-LLVKDONJSA-N 285.174 3.720 30 20 CHED C=CCCCCCSc1nnc(N(C)C)n1C(C)C 447298515 IEAKEYDVWKTHCC-UHFFFAOYSA-N 282.457 3.764 30 20 CHED C=CC(C)(C)CNC(=O)c1cccn1C1CCCC1 452773032 HKQLIIVSCLGUHI-UHFFFAOYSA-N 260.381 3.545 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2cc(CC#N)ccn2)s1 532434217 NMSFISXEHLHARJ-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C=C(CC)CN[C@H](c1ccc2c(c1)OCCO2)C(C)C 538141843 RPWSNQNGBCXHCU-KRWDZBQOSA-N 275.392 3.711 30 20 CHED N#Cc1cccc(CN2CCc3ccc(Cl)cc3C2)c1 534163950 NXOLQSHFPJSNDT-UHFFFAOYSA-N 282.774 3.770 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CCCS1 360658352 SBCMSLOSWHPFCZ-RDJZCZTQSA-N 286.444 3.811 30 20 CHED COCC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCCC1 453394173 VYVFGJXMFIEQDJ-ZDUSSCGKSA-N 290.382 3.555 30 20 CHED CC(C)(C)c1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1 614293412 OMOVQTQDKRODSJ-UHFFFAOYSA-N 294.354 3.814 30 20 CHED C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F 618571862 GDCCPFGAONQANF-WZRBSPASSA-N 264.319 3.698 30 20 CHED C=CCC1(CNC(=O)c2c(F)ccc(O)c2F)CCCC1 456510990 SOHDTPCDMAMLGS-UHFFFAOYSA-N 295.329 3.537 30 20 CHED CC#CCCCC(=O)N1CC2(CCCC2)[C@H]1C(C)C 457103885 BCLNHMYRMVKHME-MRXNPFEDSA-N 261.409 3.607 30 20 CHED COCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C)o1 272068517 BOWPYLFUKFZGEF-YOEHRIQHSA-N 298.386 3.888 30 20 CHED CC1(C)CN(C[C@H](C#N)CCC#N)[C@H]1c1ccccc1 610989110 FJNKPGRYBOKIPA-HOCLYGCPSA-N 267.376 3.513 30 20 CHED C=CCN(C(=O)C[C@@H]1CCO[C@@H](CC)C1)c1ccccc1 273017410 WOLKSBTYQSTLKK-WBVHZDCISA-N 287.403 3.801 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NC(C1CC1)C1CC1 362831454 QJBFFGGKCJMGTJ-UHFFFAOYSA-N 299.324 3.985 30 20 CHED CCCOc1ccc(C(C)(C)NCC2(C#N)CCC2)cc1 450895367 LDAINHPEMCANHC-UHFFFAOYSA-N 286.419 3.994 30 20 CHED C=C(C)CCN[C@@H]1CCCc2nc(CC)sc21 453319104 NGRAPUBFENJIGH-LLVKDONJSA-N 250.411 3.639 30 20 CHED C#CC[C@@H](NC(=O)N(C)[C@H](C)c1ccco1)c1ccccc1 270458057 TWXUMBRIALOBFU-GDBMZVCRSA-N 296.370 3.747 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(C(C)C)nc2)no1 278065727 WEVNPHISJAHBOH-LBPRGKRZSA-N 287.363 3.909 30 20 CHED CCCN(CC1CCCCC1)C(=O)NCC(C)(C)CC#N 459260702 QUNPYZSKLJVVLT-UHFFFAOYSA-N 293.455 3.928 30 20 CHED C=C(CNC(=O)C(C)(C)C1CCC1)c1ccccc1 451751870 CZDWACQJRHSEKY-UHFFFAOYSA-N 257.377 3.642 30 20 CHED CC(C)(C)c1nc(Cn2nc(C#N)c3ccccc32)cs1 543265387 CVQAJSKVPUMYIZ-UHFFFAOYSA-N 296.399 3.710 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 274309834 WYGJMVYNVICSQC-MRXNPFEDSA-N 273.351 3.683 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CC(C)(C)C#N)C1 279292275 POHZERDTOPYINY-WFASDCNBSA-N 288.366 3.675 30 20 CHED Cc1ccc2c(C)cc(N3CCC(C#N)CC3)nc2c1 274079304 QUOIBXWGAPSPNC-UHFFFAOYSA-N 265.360 3.592 30 20 CHED C[C@H]1CCN(c2cccc(C#N)n2)CC12CCCCC2 462694329 BHTFRYBCEFSWLD-AWEZNQCLSA-N 269.392 3.750 30 20 CHED N#Cc1cccc(NCc2ccccc2N2CCCCC2)n1 272078484 AGXKPFBQNWJEBM-UHFFFAOYSA-N 292.386 3.556 30 20 CHED CC#CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C 277612169 HWSRZTUNQDKLCV-AWEZNQCLSA-N 283.293 3.542 30 20 CHED Cc1cc2[nH]ncc2cc1NCC(C)(C)CCC#N 276638065 QDSQSEQZMQPYSC-UHFFFAOYSA-N 256.353 3.613 30 20 CHED COc1cc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)ccc1C#N 378818744 DDNHWDYAWHWROH-HOTGVXAUSA-N 284.403 3.577 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@H]1C1CC1)c1ccccc1 372859507 VHXHMYDQOFRGNZ-YOEHRIQHSA-N 269.388 3.747 30 20 CHED N#Cc1ccc(N2Cc3cccc(Cl)c3C2)c([N+](=O)[O-])c1 377196640 XNUQDXOJKZGOPL-UHFFFAOYSA-N 299.717 3.640 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](CC)Oc1cccc(C)c1 467989565 FFUJDMBGWKRJRE-MAUKXSAKSA-N 289.419 3.871 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCc1ccc(O)c(F)c1 469826415 ZQKBRVCALRPYGO-CYBMUJFWSA-N 293.382 3.715 30 20 CHED N#CCCN(CC1CC1)C(=O)CC1CC(c2ccccc2)C1 281386005 WNMMWNXNBFWOAH-UHFFFAOYSA-N 296.414 3.723 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C2CCCC2)C2CC2)c1 556669146 ZEZBWVTUESWBSR-UHFFFAOYSA-N 283.375 3.806 30 20 CHED C#CCCCCNC(=O)c1ccc(-c2csc(C)n2)cc1 282220007 DWDVHQXZNMCBJY-UHFFFAOYSA-N 298.411 3.652 30 20 CHED C=CCCCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 469791345 OXAIOUKDZKYRPL-LBPRGKRZSA-N 281.783 3.580 30 20 CHED CCCCN(C(=O)c1cc(C#N)oc1C)c1ccccc1 280515997 AQLWKCKYLMJEHS-UHFFFAOYSA-N 282.343 3.907 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(SC)cc1 466844060 WXJCZNIFFSYPCG-GFCCVEGCSA-N 278.421 3.687 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc3nccnc3c2)no1 289082218 ONVMAEHUDNPXFF-INIZCTEOSA-N 280.331 3.534 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(C2CCCCC2)c1C 280985598 BTAGPRYPRUABLX-CQSZACIVSA-N 289.423 3.781 30 20 CHED Cc1oc(C#N)cc1C(=O)NC(C)(C)CCc1ccccc1 280656884 OSPYZAMRTHYBDJ-UHFFFAOYSA-N 296.370 3.601 30 20 CHED C=C(C)CN(CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 470176373 KAEJVJVJGINGGF-NTEUORMPSA-N 274.364 3.896 30 20 CHED N#CCCCC(=O)N1CCC[C@H]1Cc1ccccc1Cl 292257625 HRWFUUHSMYMPLZ-AWEZNQCLSA-N 290.794 3.567 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCCCC(C)(C)C 552805764 CYWNYRZFOODTBW-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED C[C@H](OC(=O)c1cnccc1C#N)c1ccc(Cl)cc1 805717714 UUBATTYNJMJKCA-JTQLQIEISA-N 286.718 3.525 30 20 CHED C=C(CNC(=O)N1CCc2cc(C)ccc21)c1ccccc1 807579346 PXKRMLSHCRSWKN-UHFFFAOYSA-N 292.382 3.781 30 20 CHED C=C[C@H](CC(=O)N1CCC(F)(F)[C@H](C)C1)c1ccccc1 290839588 HDTWUFNPYQMWNG-ZIAGYGMSSA-N 293.357 3.850 30 20 CHED COc1cc(Cl)c(NC(=O)CC(C)(C)C#N)cc1C 290265928 ZLUXFALLRDTISH-UHFFFAOYSA-N 280.755 3.535 30 20 CHED Cc1cccc([C@@H]2CCCCCN2CCO[C@H](C)C#N)c1 801921715 KQQQPSUGXIFWBM-AEFFLSMTSA-N 286.419 3.841 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C(C)(C)C)C1 478440331 XLRVQKVSNRNHCW-CJNGLKHVSA-N 251.414 3.873 30 20 CHED CC[C@@H](NC(=O)CCCC#N)c1ccccc1OC(F)F 292565953 JYNKZBSSTNIYQD-GFCCVEGCSA-N 296.317 3.549 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)C2CCCCC2)cc1C#N 801093838 ANTJZIMEGVOSCR-CQSZACIVSA-N 284.403 3.908 30 20 CHED Cc1csc(NC(=O)[C@@H](F)c2ccccc2)c1C#N 809007515 VECVEQIBAOSGFY-LBPRGKRZSA-N 274.320 3.578 30 20 CHED CCSCC(=NN[C@@H](C)CC)c1ccccc1 807984414 PGDJGDILPMZQAJ-LBPRGKRZSA-N 250.411 3.532 30 20 CHED C=C(C)CS(=O)(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 477592957 QCCGCOCWLOTYBC-HNNXBMFYSA-N 295.448 3.578 30 20 CHED CCCCCCCCC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3OC 804383247 RNZJVJMGGDTUSB-KCEFYPGHSA-N 293.451 3.619 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc2ccsc2[nH]1 804835093 GQDAVAHTURYKJK-UHFFFAOYSA-N 294.379 3.505 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(C)cc1SC 569443495 XTALXBWMDGYRIG-UHFFFAOYSA-N 277.433 3.935 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(Cl)cn2C)CCCC1(C)C 470296569 FFCNKUYCTHNHEK-AWEZNQCLSA-N 294.826 3.885 30 20 CHED COc1ccc([C@H](C)COC(=O)CCCCCC#N)cc1 805905504 OGNRYPDDJJMSRY-CQSZACIVSA-N 289.375 3.816 30 20 CHED C=C(Cl)COC(=O)CCc1cccc(Cl)c1 806233372 PUBKPCBPVPQYGD-UHFFFAOYSA-N 259.132 3.568 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(C(=O)CCCC#N)C2CC2)o1 292387583 DOJIWQNHYLCBES-SWLSCSKDSA-N 286.375 3.588 30 20 CHED C=CCN(C(=O)c1cc(C(C)C)nn1CC)c1ccccc1 642137480 XCLMSIISCWJCEJ-UHFFFAOYSA-N 297.402 3.859 30 20 CHED C=CCCCCCCNC(=O)Cc1cc(C)ccc1OC 805219810 XCJZTSXWYQYUJB-UHFFFAOYSA-N 289.419 3.799 30 20 CHED CC#CCCNC(=O)Nc1c(C)cc(C(F)(F)F)cc1C 640767021 HLFMRSHNIJFENS-UHFFFAOYSA-N 298.308 3.857 30 20 CHED Cc1cc(Cl)c(NC(=O)CC(C)(C)C#N)cc1C 296091220 OZHMHOWKWCOFID-UHFFFAOYSA-N 264.756 3.835 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc([S@](C)=O)cc1 293844771 YAIRGJFWFWAGBF-DJJJIMSYSA-N 279.449 3.677 30 20 CHED CS[C@@H](C)CCC(=O)Oc1cc(C)c(C#N)c(C)c1C 809033487 SHELUDLXUBHLKL-NSHDSACASA-N 291.416 3.921 30 20 CHED N#Cc1cc(=N[C@H]2CCC[C@@H](c3ccccc3)C2)cc[nH]1 561339831 DBJUNJCVIMVASA-CVEARBPZSA-N 277.371 3.513 30 20 CHED C=CCC(C)(C)C(=O)N1CCS[C@H](c2ccccc2)C1 644797119 VHTAEMWTYZHXOZ-HNNXBMFYSA-N 289.444 3.905 30 20 CHED N#Cc1ncccc1NCc1ccc(OC2CCCC2)cc1 562229887 DKWPBGPKPASOBA-UHFFFAOYSA-N 293.370 3.887 30 20 CHED CCCCCCCC(=O)Nc1cc(C#N)ccc1NC 803305400 JUFPXSODQNSENM-UHFFFAOYSA-N 273.380 3.899 30 20 CHED Cc1nsc(N2CC[C@H](c3ccccc3)[C@H]2C)c1C#N 565379920 RDJPCVDYZHOABU-OCCSQVGLSA-N 283.400 3.706 30 20 CHED Cc1nc(CN(C)[C@@H](C)c2cccc(C#N)c2)cs1 489104624 ROLYBTWUSSBNTA-NSHDSACASA-N 271.389 3.516 30 20 CHED Cc1cc(SCc2nnc(C3CC3)s2)ccc1C#N 565833121 LZAQOLOQDCFZHR-UHFFFAOYSA-N 287.413 3.888 30 20 CHED Cc1nc(N(Cc2ccc(F)cc2)C2CC2)ccc1C#N 487903992 ASEZETVHHVUFNC-UHFFFAOYSA-N 281.334 3.570 30 20 CHED N#CCCSc1ccccc1NC(=S)NC1CCC1 814196799 KOPPXAGDQHTAJS-UHFFFAOYSA-N 291.445 3.531 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)NCC#Cc1ccccc1 487690315 PBZVYDMABXQIII-WMZOPIPTSA-N 298.430 3.648 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CC(c3ccccc3)=NO2)n1 815707603 HWFRERRCDPKUEA-AWEZNQCLSA-N 297.358 3.789 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc2[nH]c(C)cc2c1 488376459 TUCMJFPHDLNQFS-UHFFFAOYSA-N 279.343 3.716 30 20 CHED C=C(C)CN(CC)Cc1cccc(Br)c1OC 481702026 FTYMKALPWLPCPM-UHFFFAOYSA-N 298.224 3.856 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccn(C(C)C)c1C 816656020 BOZNLMPSVNELQC-UHFFFAOYSA-N 294.398 3.653 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 819735016 YQXGRVMDDHGDKB-BBRMVZONSA-N 299.422 3.652 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](c1ccccc1Cl)C(C)C 812046533 LCSOPYKIJQHHKL-DOMZBBRYSA-N 292.810 3.700 30 20 CHED C=CCN(C(=O)c1cn(C(C)C)nc1C)c1ccccc1 653548915 XTPZENPODCCODJ-UHFFFAOYSA-N 283.375 3.605 30 20 CHED CSc1ccc([C@H](C)N=c2ccc(C#N)c(C)[nH]2)cc1 487726266 DBDPZTLBYVOKKJ-NSHDSACASA-N 283.400 3.579 30 20 CHED C=CCCCCN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 576671956 UUTOKDXXZHUPMV-GUDVDZBRSA-N 285.431 3.847 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1c(F)cccc1Cl 489745098 VZERJBVHVYBNSA-UHFFFAOYSA-N 283.774 3.740 30 20 CHED Cc1cccc2c1[C@H](OC(=O)c1cccc(C#N)c1)CCO2 814031115 RNXMEXGZEDSMAK-MRXNPFEDSA-N 293.322 3.547 30 20 CHED CC(C)OCCON=Cc1cccc(OC2CCCC2)c1 812240428 POJZIVZVFRENKI-UHFFFAOYSA-N 291.391 3.784 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C#N 483051869 RSYUDVYGUOOJAX-JSGCOSHPSA-N 256.349 3.713 30 20 CHED C[C@H]1/C(=C/c2cn(C)nc2C(F)F)C(=O)c2ccccc21 812242334 PGFROFMCQKXZAJ-VAENJDROSA-N 288.297 3.741 30 20 CHED FC(F)(F)CCON=C1CC(c2ccccc2)C1 814910043 PGPZAEFKIVRGPZ-UHFFFAOYSA-N 257.255 3.889 30 20 CHED C=CCCCC(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 482860213 AFFQRTGQFAQGBW-KGLIPLIRSA-N 275.367 3.934 30 20 CHED C=CCCCCOC(=O)C[C@@H]1OCCc2ccccc21 811010506 ALIXYPWRLVWXBY-INIZCTEOSA-N 274.360 3.590 30 20 CHED C=CCCCCCSCC(=O)N[C@@H](C)C(C)C 485587330 CSLATKREWJWHMV-ZDUSSCGKSA-N 257.443 3.627 30 20 CHED C#CCN(Cc1ccc(F)cc1)CC1(SC)CCC1 811459115 XGHQUMGZLXQTSS-UHFFFAOYSA-N 277.408 3.547 30 20 CHED Cc1cccc(OCc2cccc(F)c2C#N)c1F 488279918 DIOBATQZIWDTRU-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C 486937500 QSFKJDPEHBUNPC-LSDHHAIUSA-N 266.429 3.809 30 20 CHED CC1CC(=NNC(=S)Nc2ccc(OC(C)C)cc2)C1 814830845 UBDJSCOAHZSAMV-UHFFFAOYSA-N 291.420 3.546 30 20 CHED C=CCn1cccc1C(=O)N1CCSC12CCCCC2 576528965 CMPNMFWIQYZBRT-UHFFFAOYSA-N 290.432 3.524 30 20 CHED C=CCN(Cc1cccs1)C(=O)N1CCCC[C@@H]1C 655468833 JEMLVMXKTYNMLB-ZDUSSCGKSA-N 278.421 3.731 30 20 CHED C=C(C)CN(C)C(=O)c1cc2c(ccc3ccccc32)[nH]1 482144437 VUPPLPIHHAFCID-UHFFFAOYSA-N 278.355 3.969 30 20 CHED Cc1cc(NC(=O)Nc2ccc(C#N)c(F)c2)c(C)cc1O 572532547 UCIXNDJYHPGAPN-UHFFFAOYSA-N 299.305 3.664 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C#N)ccc1F 828276143 GPIPCPSVDSHKEP-WBMJQRKESA-N 288.366 3.738 30 20 CHED C=CCCCCN1CC[C@H](n2ncc3ccccc32)C1 570278646 NRUVWUSZJIWMBB-INIZCTEOSA-N 269.392 3.639 30 20 CHED C#Cc1ccc(C(=O)Oc2c(Cl)cccc2Cl)nc1 728802229 RDTAJWZEGYOFEQ-UHFFFAOYSA-N 292.121 3.589 30 20 CHED CCCC[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cn1 727255034 HXPNWRDDZVQTHS-LLVKDONJSA-N 276.340 3.748 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(OCC)c1)C(C)C 727596004 WZVLQQKCQSDKDO-UHFFFAOYSA-N 276.380 3.822 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Cc1ccc(OCC)cc1 662604831 GFSQWEJCYAUTMC-HNNXBMFYSA-N 289.419 3.689 30 20 CHED C=CCCC[C@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(C)C2 660990895 JHGFAKJQRJFPHW-KKUMJFAQSA-N 264.413 3.704 30 20 CHED C[C@]1(COc2cccc(C#N)c2)CC1(Cl)Cl 828391972 FXPIDSUSCZEXPM-LLVKDONJSA-N 256.132 3.521 30 20 CHED C=CCCNC(=O)Nc1cc(C(F)F)ccc1Cl 666392196 AXFOMCPAFMNBFP-UHFFFAOYSA-N 274.698 3.975 30 20 CHED CCc1ccc(NC(=O)CON=Cc2ccccc2C)cc1 823521710 XSHZIFOTJSMDKX-UHFFFAOYSA-N 296.370 3.547 30 20 CHED N#CCC[C@@H](NC(=O)CCCC1CC1)c1ccccc1 589707965 FPPWDZMZTPPOGA-MRXNPFEDSA-N 270.376 3.728 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2c(C)ccnc2C)C1 667062525 HHAYSDHGGDWYGD-CQSZACIVSA-N 273.380 3.518 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(SC(C)(C)C)cc1 736677264 ZCAQCIDIUHFBSP-JTQLQIEISA-N 262.378 3.675 30 20 CHED C=CCC1(NC(=O)Nc2cc(F)ccc2F)CCCC1 664403135 KTDJRQIQJWAWSK-UHFFFAOYSA-N 280.318 3.975 30 20 CHED COC[C@@H](SCC1(C#N)CCC1)c1ccccc1 901666262 CXOFXCGTWXVENA-CQSZACIVSA-N 261.390 3.801 30 20 CHED CCc1ccc(CCOC(=O)c2ccc(C#N)cc2)cc1 734293577 XGJAFZLKJRTAGZ-UHFFFAOYSA-N 279.339 3.520 30 20 CHED CCC1CCC(N(C(=O)c2cccc(C#N)n2)C2CC2)CC1 589747935 VYEAJRRIERGBNI-UHFFFAOYSA-N 297.402 3.527 30 20 CHED C#CCCCCCCOC(=O)c1ccoc1Cl 835714934 QPPSIAGFIVUGFV-UHFFFAOYSA-N 254.713 3.674 30 20 CHED CC[C@@H](C)NN=Cc1ccc(NC(=O)OC(C)(C)C)cc1 834972297 GEANKZIZXWEWJC-GFCCVEGCSA-N 291.395 3.756 30 20 CHED Cc1cc(/C=C/C(=O)c2cn(C(C)C)nn2)ccc1Cl 901524870 IWXKJAUAMIZIPP-FNORWQNLSA-N 289.766 3.717 30 20 CHED CCC(CC)NN=Cc1cc2cc(Cl)cnc2o1 834959805 SIBMCXLCWISLPK-UHFFFAOYSA-N 265.744 3.593 30 20 CHED CCc1noc(C)c1C(=O)OCCCCC1(C#N)CCC1 908810764 LEFYMFPDLFPVSM-UHFFFAOYSA-N 290.363 3.566 30 20 CHED C=CCCC[C@H](C)OC(=O)c1cccc(SC)n1 830981543 XIAAMMLSJMPAGS-NSHDSACASA-N 265.378 3.705 30 20 CHED CC[C@H](N[C@@H]1CCCC[C@H]1OC)c1cccc(C#N)c1 903042305 VJCPJTKHIWQDJY-GVDBMIGSSA-N 272.392 3.557 30 20 CHED CC(CCCc1cccnc1)=NNc1ccc([N+](=O)[O-])cc1 834915188 XVFOILFFEPGKSM-UHFFFAOYSA-N 298.346 3.801 30 20 CHED Cc1ccoc1CN(C)c1c(C#N)cnc2c(C)cccc12 589877494 HUUPQCRSABGHDE-UHFFFAOYSA-N 291.354 3.953 30 20 CHED N#CC1(CN[C@H]2CCC[C@@H]2CCc2ccccc2)CC1 584566550 ZSKOZMSGRIMAPX-SJORKVTESA-N 268.404 3.681 30 20 CHED CC(C)C(=NNc1ccc(C(=O)O)c(Cl)c1)C1CC1 833463005 TZAVPYCZEITVHI-UHFFFAOYSA-N 280.755 3.872 30 20 CHED CC[C@H](C)CC=NNc1cccc(C(F)(F)F)n1 834958694 BVNQZOLDASPEFP-VIFPVBQESA-N 259.275 3.934 30 20 CHED Cc1cc(OC(=O)OC2CCC2)c(C)c(C)c1C#N 831521988 VPQPPERHFORGGQ-UHFFFAOYSA-N 259.305 3.551 30 20 CHED CCCCCCCC(=O)NCCCc1ccc(O)cc1 735701263 BLINIOXBLDEYIK-UHFFFAOYSA-N 277.408 3.802 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(N2CCCC2)c(F)c1 836313921 FIOTVZDZYKETMJ-UHFFFAOYSA-N 291.370 3.514 30 20 CHED C=CCOC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835079692 HLHCJVHZKSKMDE-SECBINFHSA-N 258.239 3.695 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCc1ccc(F)cc1C#N 734055981 YWPRBPDCXCEDCM-GFCCVEGCSA-N 289.350 3.957 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(-c2ccccc2)no1 837864046 KJJDMPMZNCACSB-UHFFFAOYSA-N 271.316 3.597 30 20 CHED C=CC[C@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 835324079 PSLMTZLYBCHYOG-WCXIOVBPSA-N 286.371 3.805 30 20 CHED COc1ccnc(NN=C(CC(C)(C)C)c2ccccc2)n1 915962670 VVZBSULHZUHVAD-UHFFFAOYSA-N 298.390 3.738 30 20 CHED CC1(C)C[C@@H](Nc2ncccc2C#N)c2cc(F)ccc2O1 593496698 WATWVDHLZRMMRW-CQSZACIVSA-N 297.333 3.807 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1cccc(C)c1 915971126 FOYLGUCJKHWHFE-UHFFFAOYSA-N 278.359 3.718 30 20 CHED CC[C@](C)(C=NNc1nc2ccccc2cc1C)OC 834971432 YIJJRUZIMGBUSO-MRXNPFEDSA-N 271.364 3.756 30 20 CHED CCC(C)(C)CCOC(=O)CCc1ccc(C#N)cc1 744341460 QFYVJCZJOIJHSS-UHFFFAOYSA-N 273.376 3.860 30 20 CHED Oc1cccc(/C=N/CC2(c3ccc(F)cc3)CCC2)c1O 749451764 JWGFQTQCMLROMB-RGVLZGJSSA-N 299.345 3.778 30 20 CHED Cc1nc2sccn2c1C=NNc1ccccc1Cl 916262588 IXLYJNRJAPDCFH-UHFFFAOYSA-N 290.779 3.804 30 20 CHED C=CCCCC(=O)OCC(=O)Nc1cccc(C(C)C)c1 748224445 AMMGJVQWWNKESL-UHFFFAOYSA-N 289.375 3.648 30 20 CHED CCN(CC#N)Cc1cnc(-c2ccc(C)c(C)c2)s1 594604002 WITCESFSBPCIRV-UHFFFAOYSA-N 285.416 3.772 30 20 CHED CCN(CCC(F)(F)F)C(=O)Nc1cccc(CC#N)c1 590855064 VJOHYCGRSHPONB-UHFFFAOYSA-N 299.296 3.559 30 20 CHED C=C(CNC(=O)C[C@H]1CCC[C@@H]1C)c1ccccc1 672481069 JLVILIMBKMKWPQ-XJKSGUPXSA-N 257.377 3.642 30 20 CHED C=CCCCON=C1CCCc2cc(OC)ccc21 740872493 CRVDAGFPPVRQLP-UHFFFAOYSA-N 259.349 3.718 30 20 CHED CC[C@H](C)C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 748497904 MCIBEAKEDIFPBE-NSHDSACASA-N 284.277 3.646 30 20 CHED C=C[C@H](C)ONC(=O)CCCCCc1ccc(F)cc1 846551145 XEWRKJOENWXASW-ZDUSSCGKSA-N 279.355 3.551 30 20 CHED N#CC1(COc2cccc(-c3ccncc3)c2)CCC1 596284548 CAZNQMRDWQUMJV-UHFFFAOYSA-N 264.328 3.821 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 592796587 ANMRPJCIKKZNRD-QWHCGFSZSA-N 285.391 3.611 30 20 CHED CCCCCCCCOC(=O)c1cc(CO)oc1C 918924823 BMEZRNVIOORIBH-UHFFFAOYSA-N 268.353 3.598 30 20 CHED c1ccc(N/C(=N/CC2CCC2)N2CCCCC2)cc1 849058998 BHRPLBJDGOGAKU-UHFFFAOYSA-N 271.408 3.741 30 20 CHED N#Cc1ccc(CCN[C@H]2Cc3ccc(Cl)cc3C2)cc1 595056111 QZSFHDKZFFITKM-SFHVURJKSA-N 296.801 3.511 30 20 CHED CCCCCCCC(=O)N1CCC(CN(CC)CC)CC1 915731921 PVLHLLRAUYSUON-UHFFFAOYSA-N 296.499 3.927 30 20 CHED C/C(=C/C(=O)OCc1ccc(C#N)cc1F)C(C)(C)C 745596043 FUEFHSBWDVZDIO-XFFZJAGNSA-N 275.323 3.733 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1F)c1ccsc1 590777870 IJZNAESYUJCYLW-OAHLLOKOSA-N 274.364 4.000 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 847168714 OAEHXUOTXJDGIK-GWCFXTLKSA-N 298.308 3.569 30 20 CHED CCOCCC1(CNc2ccc(C#N)cc2C)CCC1 846752845 DJXTVCPSTIJPOV-UHFFFAOYSA-N 272.392 3.876 30 20 CHED CCCC(C#N)(CCC)NC(=O)C1CCC2(CC1)CC2 598824096 WASKLXGIUSHGMS-UHFFFAOYSA-N 276.424 3.936 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1ccc2c(c1)COC2 742435927 BWOSASCXZVFSAZ-SREVYHEPSA-N 286.277 3.891 30 20 CHED Fc1ccc(/C=C\C=NNc2ncccc2Cl)cc1 747752836 FOFCNJPIQZHHGX-YXOQZHICSA-N 275.714 3.985 30 20 CHED N#CC[C@H]1CCCN(Cc2cc3cc(Cl)cnc3o2)C1 597175748 DNAIUJWFOHTZDF-LLVKDONJSA-N 289.766 3.607 30 20 CHED CC[C@@H](C)CCCCC(=O)N(C)c1ccc(C#N)nc1 593276972 NXQDYEBKSHOSNS-CYBMUJFWSA-N 273.380 3.523 30 20 CHED CCCCCCCN1CCC(CN2CCCCC2=O)CC1 744403729 XHMRMRHIZDVYLI-UHFFFAOYSA-N 294.483 3.681 30 20 CHED C=CC1CCN(C(=O)c2cc(Cl)nc(C3CC3)c2)CC1 846869064 SJPISZKCWYCRNC-UHFFFAOYSA-N 290.794 3.651 30 20 CHED CCc1noc([C@@H](C)SCCc2ccc(C#N)cc2)n1 596381174 ICEIUWIVMJPRKN-LLVKDONJSA-N 287.388 3.541 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]1c1cccc(F)c1 742426196 WQCPBFGHVVCJCO-INIZCTEOSA-N 297.289 3.557 30 20 CHED C=C(C)CONC(=O)N[C@@H](CC(C)C)c1ccccc1 844283724 DXOOIUVZTRCUPP-HNNXBMFYSA-N 276.380 3.581 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 594546769 WOAYMUQRJFZFGR-LLVKDONJSA-N 269.348 3.585 30 20 CHED COCc1cccc(CON=Cc2cccc(F)c2)c1 746559873 YJYOHCFGPMIDEG-UHFFFAOYSA-N 273.307 3.523 30 20 CHED C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 593598089 NFYJPLIEIVHSDJ-WBMJQRKESA-N 290.794 3.596 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2ccc(F)cc2)CCC1 684938551 CTFRCLUJZONFLQ-OAHLLOKOSA-N 275.367 3.718 30 20 CHED C=CC[C@@H](NC(=O)N(C1CCCC1)C1CC1)c1ccncc1 746765002 DHBJTZCBPFIGAM-QGZVFWFLSA-N 299.418 3.815 30 20 CHED CC[C@@H](C/N=C\c1ccccc1O)CC(F)(F)F 840711388 QICUGPZKJNCBAW-LGQZLYSRSA-N 259.271 3.790 30 20 CHED C=C(C)CNC(=S)N[C@H](c1ccc(F)cc1)C(C)C 747768340 CAFGXQJGMUVQKU-AWEZNQCLSA-N 280.412 3.563 30 20 CHED C#C[C@@H](CC)NC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 753259087 OCSCTWBFAMZPEY-GJZGRUSLSA-N 290.407 3.873 30 20 CHED C=CCN(C(=O)C(F)(F)c1ccc(F)cc1)C(C)(C)C 857651100 RQSAPHKCRWOJJB-UHFFFAOYSA-N 285.309 3.731 30 20 CHED C/C(=C\C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1cccs1 857599501 PFFGEBVYPCKJQS-JMNAUKJMSA-N 288.416 3.740 30 20 CHED C#CCCCOC(=O)CCCc1cc(C)sc1C 753399042 DBOPVAIVGDDWHP-UHFFFAOYSA-N 264.390 3.644 30 20 CHED CCCn1nc(C)c(C=NNc2ccc(F)cc2C)c1C 755801257 JGOQSMINDIMEJU-UHFFFAOYSA-N 288.370 3.803 30 20 CHED FC(F)(F)c1ccnc(NN=CC2CCSCC2)c1 853353146 RZGJDLGEYOQACP-UHFFFAOYSA-N 289.326 3.641 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(CC)[C@H](C)C#N 856074936 FWZIDXDSWQAKKS-ZIAGYGMSSA-N 252.402 3.744 30 20 CHED N#CC1(COC(=O)c2ccc(CF)cc2)CCCCC1 850931958 DISIKVPHKXAQPZ-UHFFFAOYSA-N 275.323 3.787 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1cc(O)ccc1O 757468881 YTUXYZFGZWAIHF-VQHVLOKHSA-N 298.338 3.781 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@H]1CCCC[C@H]1C 751374263 MWMHHBINIAGOFG-HUUCEWRRSA-N 264.413 3.601 30 20 CHED COCc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1 757533698 IAUGADFQSHONLR-PTNGSMBKSA-N 258.361 3.996 30 20 CHED FC(F)(F)CCON=Cc1cc2ccncc2s1 853335530 ALYRGHLLKMYCHV-UHFFFAOYSA-N 274.267 3.599 30 20 CHED C[C@@H](NN=C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 920386379 YYRRQGFCCPHZJO-QCMUBLEYSA-N 295.342 3.945 30 20 CHED C[C@H](Nc1c(F)c(F)nc(F)c1F)c1cccc(C#N)c1 756967718 FPINCNHQCWOQOF-ZETCQYMHSA-N 295.239 3.683 30 20 CHED C#Cc1cccc(NC(=O)NC(C)(C)c2ccccc2)c1 921234656 PTCAWGFCYMBPSE-UHFFFAOYSA-N 278.355 3.725 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN[C@H](C)CC(C)(C)C#N)o1 924716808 QTZZPICJOXAEAR-SCRDCRAPSA-N 260.381 3.821 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(F)cc2C#N)s1 754667101 DBFYXKMYKYANNO-NSHDSACASA-N 274.364 3.918 30 20 CHED CC(C)(C#N)COC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 850935152 DDBPPSWQSLKWGD-CVEARBPZSA-N 285.387 3.738 30 20 CHED O=Cc1ccc(OCC#Cc2ccc(Cl)cc2)c(F)c1 755838693 OQEPSNIKFLTGEO-UHFFFAOYSA-N 288.705 3.722 30 20 CHED CC[C@H](C)CON=CC1CCN(Cc2ccccc2)CC1 853349605 CIJPIYYPPVTOSC-INIZCTEOSA-N 288.435 3.947 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 864252589 BAGKYZXYBCZUMO-UHFFFAOYSA-N 264.756 3.832 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)Nc2sccc2C#N)C1 931845827 KPACICLSBANRTD-PWSUYJOCSA-N 277.393 3.662 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCc3cc(C)ccc32)CC1 765836977 RLBHKFUNRCJHCD-LJQANCHMSA-N 284.447 3.612 30 20 CHED O=C1/C(=C\c2cc(F)c(F)cc2F)Oc2ccccc21 767729070 JZYXUDRHBLJKEO-MKMNVTDBSA-N 276.213 3.720 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C(=O)CC)cc1 862775421 LHQXSYSWKJWUJF-UHFFFAOYSA-N 271.360 3.802 30 20 CHED C#CCCCN[C@@H](C)c1ccc(-c2ccncc2)cc1 766225013 YPTWDBAVJQCQSH-HNNXBMFYSA-N 264.372 3.813 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc(F)c2occc12 931302352 HMZOZUOWPQELTM-MRXNPFEDSA-N 288.322 3.630 30 20 CHED C#CCCN[C@@H](C)c1cccc(OCc2ccccc2)c1 769867055 WQAMQCZUPXZUPO-INIZCTEOSA-N 279.383 3.940 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc(F)c([N+](=O)[O-])c1 769828985 NDPHQDIAWAOBBB-LLVKDONJSA-N 279.315 3.958 30 20 CHED CC(CCN(C)C)=NOCc1ccc(C(F)(F)F)cc1 767388768 WTZPLFXOTZOCEW-UHFFFAOYSA-N 288.313 3.550 30 20 CHED C=CC[C@H]1N(C(=O)CCc2cc(C)on2)CCCC1(C)C 935675842 XKHVIPRATUVZSZ-OAHLLOKOSA-N 290.407 3.509 30 20 CHED Cc1cc(C)nc(NN=C2CCCC[C@H]2C(C)C)n1 764639486 HOBUGSSPXNXLFN-ZDUSSCGKSA-N 260.385 3.708 30 20 CHED Cn1nccc1/C=C1\Cc2cc(Cl)cc(Cl)c2C1=O 764434461 XFUHGPCJTQGHDF-RMKNXTFCSA-N 293.153 3.549 30 20 CHED COc1cc(F)ccc1NN=C(C)Cc1cccs1 761885760 ZIOPOGUDFJIIOB-UHFFFAOYSA-N 278.352 3.926 30 20 CHED CC(=NNc1ccccc1F)c1ccc(-n2cccn2)cc1 874103443 GOKCTVIOKMNYLS-UHFFFAOYSA-N 294.333 3.848 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc2[nH]ccc2c1)OCC 873555714 YRLJWDJFTCTCSO-INIZCTEOSA-N 287.359 3.582 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)c2ccccc21 779845779 QGMBRHOGSBKSRB-AWEZNQCLSA-N 255.361 3.720 30 20 CHED CCOc1ccc(C(C)=NOCCC(F)(F)F)cc1 777460186 NFFXWJSNKHEYCV-UHFFFAOYSA-N 275.270 3.778 30 20 CHED CC1(C)/C(=C\c2cccc(C(=O)O)c2)C(=O)c2ccccc21 774127446 VLOQVEUXCKNKPW-WJDWOHSUSA-N 292.334 3.942 30 20 CHED C[C@H](OC(=O)[C@@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 776514806 ALBYRYXTHGGRHA-TYNCELHUSA-N 257.333 3.599 30 20 CHED CCC[C@H](CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 873969214 ZRWWCTZIEJHYSP-JSGCOSHPSA-N 258.365 3.562 30 20 CHED N#C[C@@H](OC(=O)c1cccc2cc[nH]c12)C1CCCCC1 776390126 DCDMRQLDTMGFBV-OAHLLOKOSA-N 282.343 3.797 30 20 CHED C=C(CC)COC(=O)[C@H](C)Oc1ccccc1Cl 773483016 SQGADJBDYZRBRK-NSHDSACASA-N 268.740 3.617 30 20 CHED CCCC1CCC(NC(=O)c2csc(C#N)c2)CC1 1125437199 XKFLBKYDKJDYPX-UHFFFAOYSA-N 276.405 3.708 30 20 CHED C[C@@H]1CCC[C@H](CN2CCO[C@@H](c3cccc(C#N)c3)C2)C1 771453709 FIUGPDLEHNLJHT-HHXXYDBFSA-N 298.430 3.758 30 20 CHED C=C(C)CN(C)Cn1c(-c2ccccc2)nsc1=S 777959308 FDJZZOCMLUCMAD-UHFFFAOYSA-N 291.445 3.806 30 20 CHED C[C@H](C#N)COC(=O)c1ccccc1NCc1ccccc1 776096481 BDDAENGLJFVODH-CQSZACIVSA-N 294.354 3.615 30 20 CHED C=C(CC)COC(=O)c1cnn(C2CCCCC2)c1C 781306676 YETMGJSJTDDURK-UHFFFAOYSA-N 276.380 3.820 30 20 CHED C=CCC[C@@H](C(=O)OCc1cncn1CC)c1ccccc1 1123473523 SLDIDSXIDXIYND-QGZVFWFLSA-N 298.386 3.696 30 20 CHED C(=NOC[C@H]1CCOC1)C(c1ccccc1)c1ccccc1 788031691 XSQZMTGTGGXOLV-INIZCTEOSA-N 295.382 3.857 30 20 CHED C=C[C@@H]1CCCCN1c1ccnc2c(F)cccc12 784676176 MEMBVZPXTNEFEA-GFCCVEGCSA-N 256.324 3.919 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)CCCSCC#N 74981956 YDIVIYKKMUXYEG-LBPRGKRZSA-N 282.840 3.980 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 784877752 LMEZRFLGXYVUIA-IAQYHMDHSA-N 277.320 3.801 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCC=CO1 781489826 VIUDXGPJOGRQKF-CQSZACIVSA-N 253.386 3.546 30 20 CHED C#CC[C@H](N[C@@H](C)c1ccnc(OC)c1)c1ccccc1 788685705 KBKMSDLAYOYQEI-YOEHRIQHSA-N 280.371 3.505 30 20 CHED CC(Cc1ccccc1F)=NOCCC(F)(F)F 780241789 WDYHEYPZDQXYLY-UHFFFAOYSA-N 263.234 3.713 30 20 CHED Cc1ccc(S(=O)(=O)CCCCC2(C#N)CCC2)cc1 899466092 VFDPSEAOBLORPN-UHFFFAOYSA-N 291.416 3.633 30 20 CHED CC(=NNc1ccnc(F)c1)c1sc(C(C)C)nc1C 781133478 WPJXYDSJHMYOEO-UHFFFAOYSA-N 292.383 3.945 30 20 CHED N#CCc1ccccc1C(=O)NCC1CCCCCCC1 1136331477 ZLEFRBICHSTITK-UHFFFAOYSA-N 284.403 3.843 30 20 CHED Cc1cccc2c1CC[C@@H]2NCc1cccc(C#N)c1 105496821 IEVRXPPAVAKTJT-SFHVURJKSA-N 262.356 3.644 30 20 CHED C=C1CCC(C(=O)N2CCC[C@H]2c2cccc(C)n2)CC1 897014937 CHVOIXVGYDPNSN-KRWDZBQOSA-N 284.403 3.800 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc2c(c1)C[C@@H](C)O2 897107562 DCRSTWRUPGSOLT-VXGBXAGGSA-N 258.365 3.750 30 20 CHED CC1(C#N)CN(Cc2ccccc2OCc2ccccc2)C1 1204330123 CGIFARORSPUPQX-UHFFFAOYSA-N 292.382 3.611 30 20 CHED N#Cc1ccc(-c2nc(CCCCF)no2)cc1Cl 897207503 HVMYPHVSLYVWPI-UHFFFAOYSA-N 279.702 3.554 30 20 CHED CC1(CNN=Cc2ccc(F)c3cccnc23)CCCC1 793085100 YIBHUANGHPRSKN-UHFFFAOYSA-N 285.366 3.878 30 20 CHED CC[C@@H](Cc1ccccc1)NCc1ccc(C#N)cc1 75944392 CDHADUANKQHZQA-SFHVURJKSA-N 264.372 3.669 30 20 CHED C=CCCCOC(=O)CSc1ccc(F)c(F)c1 735531335 DBFKBHAJRWSYAE-UHFFFAOYSA-N 272.316 3.566 30 20 CHED Cc1ccc(C(=O)N2CCc3cccc(Cl)c32)cc1C#N 799311846 GVWVQVCNCUTXTE-UHFFFAOYSA-N 296.757 3.723 30 20 CHED Cc1cnn(C)c1/C=C1/CCc2ccc(Cl)cc2C1=O 794704186 YBFRXRXUOGBQBI-GHXNOFRVSA-N 286.762 3.594 30 20 CHED CCc1cccc(C)c1NN=C(C)c1nccs1 799493914 VQTSGTIUWRFAQA-UHFFFAOYSA-N 259.378 3.850 30 20 CHED C#CCCCC(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 799438857 VIBLGSWTBXLTHC-OAHLLOKOSA-N 272.344 3.636 30 20 CHED CC(=NNc1ccc(F)cc1)c1coc(C(C)C)n1 799465575 KGWVMEVDEBELSC-UHFFFAOYSA-N 261.300 3.773 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](F)CC1CCCCC1 793977309 VQBPIBROFKVOQR-CABCVRRESA-N 267.388 3.862 30 20 CHED C#C[C@H](NC(=O)N(C)Cc1ccc2ccccc2c1)C(C)C 798555938 WQNIATYBQGDBGB-SFHVURJKSA-N 294.398 3.639 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(C)c(C#N)c1 799613353 LBFMRXBXEAMOHW-UHFFFAOYSA-N 297.402 3.659 30 20 CHED CC1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 565398574 VUYVJGRXLYPJRB-JKSUJKDBSA-N 254.377 3.558 30 20 CHED COCCN(C)N=C(CCc1ccccc1)c1ccccc1 794963168 NFSLDJGARQMORT-UHFFFAOYSA-N 296.414 3.602 30 20 CHED C=C[C@@H](CC(=O)OCC1(OC)CCCC1)c1ccccc1 791435830 OHOQSWWBEUEUJX-HNNXBMFYSA-N 288.387 3.849 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCCCC12OCCO2 715939725 NJRWLIUTZIREJS-HNNXBMFYSA-N 297.439 3.539 30 20 CHED CCC(=NNc1cccc(Cl)n1)c1ccc(O)cc1 793175169 PWSJGDBTTFLSBR-UHFFFAOYSA-N 275.739 3.667 30 20 CHED CSCCON=C[C@H](c1ccccc1)C(C)C 794572885 KKFJVLILKAYNPK-AWEZNQCLSA-N 251.395 3.792 30 20 CHED C#CCCCCC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 769015870 PULXNLFCWBIDFN-CVEARBPZSA-N 263.425 3.901 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1cc(C#N)ccc1F 1154147708 CUAQIBWIQWAEPP-UHFFFAOYSA-N 297.333 3.690 30 20 CHED Cc1ccc(F)c(CN(C)c2nc(C#N)c(Cl)s2)c1 1163179448 OESAVMHUROILTC-UHFFFAOYSA-N 295.770 3.752 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)CCC2CC2)c1C#N 1163127001 IRZWEYWUCMSUQF-VIFPVBQESA-N 263.772 3.906 30 20 CHED C#CCN(Cc1ncoc1C(C)C)C1CCCCC1 1319743029 DDGSIGWBOZCFGO-UHFFFAOYSA-N 260.381 3.566 30 20 CHED O=C(CC#Cc1ccccc1)NCCCC1CCCCC1 1319123462 HPFUWEJWWTUZMP-UHFFFAOYSA-N 283.415 3.905 30 20 CHED N#CCc1cccc(NCCc2c(F)cccc2Cl)n1 1321329593 WZDIITVOMITCDD-UHFFFAOYSA-N 289.741 3.595 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)[C@@H]1CCCC[C@H]1C 1324601524 KLQVZKQGDNVNAL-RVKKMQEKSA-N 286.419 3.893 30 20 CHED C[C@@H]1CCN(c2c(Br)cccc2C#N)C[C@@H]1C 1651652256 SMOYKXBMQAIGIV-MNOVXSKESA-N 293.208 3.803 30 20 CHED C=CCCCC(=O)N(c1ccccc1C#N)C1CCC1 1334261726 QJFLENPDAYSXDD-UHFFFAOYSA-N 268.360 3.800 30 20 CHED CCC[C@H](CN1CCC(c2ccc(C#N)cc2)CC1)OC 1184046490 WNEVLWYNEPYAAH-GOSISDBHSA-N 286.419 3.553 30 20 CHED N#Cc1ccccc1N(C(=O)c1ccsc1)C1CCC1 1332589574 VODJAPOWDVQNTJ-UHFFFAOYSA-N 282.368 3.819 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1C(C)(F)F 1344885640 MXVVGJFMNRZIDA-UHFFFAOYSA-N 275.245 3.948 30 20 CHED CC[C@@H](C(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1342636238 DKJQGURDDRRRQJ-ZIAGYGMSSA-N 282.318 3.591 30 20 CHED C#CCCOC(=O)CC1c2ccccc2Oc2ccccc21 1341766910 GDSGRQDYQLSVAI-UHFFFAOYSA-N 292.334 3.881 30 20 CHED C[C@H](OC(=O)c1nccc2occc12)c1ccc(C#N)cc1 1354919868 WKJBXHHKQYUHNB-NSHDSACASA-N 292.294 3.617 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc3[nH]ccc23)s1 1355183749 KLVFFFIVUFAFPJ-UHFFFAOYSA-N 295.367 3.916 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCC[C@H]1CC 1507855722 VBSTWVKPKPBASH-GFCCVEGCSA-N 282.819 3.533 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCc2c(C)cccc21 1435130149 SYYGAMDWMUIUIY-UHFFFAOYSA-N 290.366 3.768 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)s1 1288810684 ULHKROFRTOTJDQ-OAHLLOKOSA-N 298.411 3.617 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H](c2ccccc2)C1 110436439 WGIZVSHTMAZVPR-CQSZACIVSA-N 266.319 3.691 30 20 CHED CCC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ncc(Cl)n1C 1526586762 CDAGNZAZKRJMEG-NWDGAFQWSA-N 295.814 3.712 30 20 CHED Cc1cc(C)c2c(c1)CN(CCc1ccc(C#N)cc1)CC2 1459958452 CKBXBKHAYYZUOQ-UHFFFAOYSA-N 290.410 3.776 30 20 CHED CN(C(=O)c1ccc(C2CC2)cc1)c1ccc(C#N)cc1F 1527779499 UXXSVKZUPDEPIJ-UHFFFAOYSA-N 294.329 3.851 30 20 CHED CC[C@@H]1CCCCCN1CCc1ccc(C#N)cc1 1459538298 XBVYYAVIVNKHTL-QGZVFWFLSA-N 256.393 3.755 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)Cc1cccc(C#N)c1 111744039 DABVYCLZDJHWPQ-SJORKVTESA-N 256.393 3.959 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1cnoc1C(C)C 1528492628 JBVTULJTHBXRPB-OAHLLOKOSA-N 298.386 3.715 30 20 CHED N#Cc1cccc(NC(=O)c2cc3ccc(F)cc3s2)n1 1461152327 ZPISXJDIAHMOLP-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C=CCCCCN[C@H](C(=O)O)c1cccc2ccccc12 1602870053 HVBZDOYCEPXCQR-KRWDZBQOSA-N 283.371 3.911 30 20 CHED O=C(/C=C\c1ccoc1C(=O)O)c1ccc(F)c(Cl)c1 1601244189 PUPNTZJSYPUGHT-RQOWECAXSA-N 294.665 3.666 30 20 CHED Cc1cc(C)c(C(=O)N(C)c2ccc(C#N)c(Cl)c2)o1 1534650792 CRMOZBXORZOQDV-UHFFFAOYSA-N 288.734 3.698 30 20 CHED Cc1cc(C)c(CCNc2nnc(C)c(C)c2C#N)c(C)c1 1472738224 HXNJYCDZEYBBOV-UHFFFAOYSA-N 294.402 3.545 30 20 CHED CCc1nc(C#N)cc(Sc2ccc(F)c(Cl)c2)n1 1472642428 PNWIOQACRNPQKB-UHFFFAOYSA-N 293.754 3.854 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(Cl)c(F)c1 227300254 CBROOBZRKSKBFN-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C[C@@H](Cc1ccc(F)cc1)Nc1cc(F)cc(C#N)c1 227617131 JUAFNIOOXCCOAT-NSHDSACASA-N 272.298 3.880 30 20 CHED Cc1cc(N[C@H](C)c2cc(F)ccc2N(C)C)ncc1C#N 1559305797 XIRCZIYRZCUBSB-GFCCVEGCSA-N 298.365 3.640 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1 1558418848 YJQRSNSAEAICEY-FYNNLBNCSA-N 269.388 3.507 30 20 CHED C=C(Cl)Cn1c(-c2ccc(Cl)cc2)coc1=O 1641040304 GMKOGFPVKNHCRO-UHFFFAOYSA-N 270.115 3.514 30 20 CHED CSc1ccccc1[C@@H](C)Nc1ncc(C#N)cc1F 1642614636 FDNVNGQXBNHWIV-SNVBAGLBSA-N 287.363 3.987 30 20 CHED C=C(CNCc1cccc2c1CCC2)c1ccccc1 1649117610 KCDZRNLMZMRKIW-UHFFFAOYSA-N 263.384 3.978 30 20 CHED N#Cc1cccnc1NC[C@H]1CCC[C@H]1c1ccccc1 1655509924 YFEXXAQXKFSOFH-SJORKVTESA-N 277.371 3.949 30 20 CHED N#Cc1c(F)cccc1CNC[C@@H](c1ccccc1)C1CC1 1659882283 OLWOORLWOROWCX-SFHVURJKSA-N 294.373 3.981 30 20 CHED Cc1cc(CCNc2cc(C)c(C#N)cn2)ccc1Cl 1655507142 BKVPMSZMJAEDQP-UHFFFAOYSA-N 285.778 3.878 30 20 CHED N#Cc1ccc(CNC[C@H](c2ccccc2)C2CC2)cc1F 1652541700 YCPPBWOZJCLXJE-GOSISDBHSA-N 294.373 3.981 30 20 CHED CC1(C)CC[C@@H](CN2CCC(c3ccc(C#N)cc3)CC2)O1 1654932995 WOPLTROZHHDBOA-SFHVURJKSA-N 298.430 3.695 30 20 CHED C=CC[C@@H](Nc1ccccc1CCC(F)(F)F)C(=O)O 1588750929 IDTVOWOCUCQFPC-GFCCVEGCSA-N 287.281 3.623 30 20 CHED C=CC[C@H](SCCCCc1ccccc1)C(=O)O 1588758714 ISQKOLZUQIISSI-AWEZNQCLSA-N 264.390 3.772 30 20 CHED C#C[C@H](C)NCc1ccc(-c2nc3ccccc3s2)o1 123111582 GIMFSPYUXYVSGX-NSHDSACASA-N 282.368 3.668 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)Cc2ccccc2)c1 1672281615 HDGOVCKINONNMK-UHFFFAOYSA-N 279.343 3.531 30 20 CHED CC1(C)C/C(=C\c2ccc(C(=O)O)[nH]2)C(=O)c2ccccc21 1593842531 OHFOZJUQAFSMLA-PKNBQFBNSA-N 295.338 3.661 30 20 CHED C=CCCC1(C(=O)O)CCN([C@H]2CCc3ccccc32)CC1 1776168471 WLHPLZVTGIWBCI-KRWDZBQOSA-N 299.414 3.807 30 20 CHED O=C(O)c1cc(NN=C2C[C@@H]3CC=CC[C@H]3C2)ccc1F 1776064947 NOSQORHFFSWPFZ-QWRGUYRKSA-N 288.322 3.668 30 20 CHED CCC(CC)C(C)=NNc1cccc(C(=O)O)c1C 1776089186 GHOGCTLFWKJLGB-UHFFFAOYSA-N 262.353 3.917 30 20 CHED CC[C@@H](C)NC(=O)[C@H](Sc1cccc(C#N)c1)C(C)C 158661474 JUOSQJUKQJOVLL-IUODEOHRSA-N 290.432 3.590 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)C(C)(C)c1ccccc1 274646784 SEDQYPOOQPSYAP-LZWOXQAQSA-N 256.393 3.635 30 20 CHED CC(C)c1ccccc1NC(=O)Nc1ccn(CCC#N)n1 152890471 FFEBVGDCXLFFIQ-UHFFFAOYSA-N 297.362 3.564 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccccc1OCC(C)C 155818451 OKCPLRFRNUXAOG-ZDUSSCGKSA-N 289.379 3.535 30 20 CHED C=C[C@@H](C)NC(=O)CC(c1ccccc1)c1ccccc1 154254504 DDUOFXXNNUWHJB-OAHLLOKOSA-N 279.383 3.899 30 20 CHED CC[C@@H](/N=C/c1cccc(OC)c1O)c1c(C)noc1C 154803241 YDPPCQHTKIHAGB-LFMVTYOGSA-N 288.347 3.576 30 20 CHED C=CCC[C@H](NC(=O)N[C@H](C)C=C)c1ccccc1 159300481 VSULFQUVXQNZMF-HIFRSBDPSA-N 258.365 3.568 30 20 CHED CCc1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1 7982637 XPLCNVPZTDTCPM-UHFFFAOYSA-N 268.272 3.821 30 20 CHED N#Cc1cccc(CNCc2cc(Cl)ccc2F)c1 125186297 RVHYJZRTEFMDES-UHFFFAOYSA-N 274.726 3.641 30 20 CHED C=CCN(C(=O)Nc1ccc(Br)cc1)C(C)C 916705726 XOXAPTFLTDQBEK-UHFFFAOYSA-N 297.196 3.877 30 20 CHED N#Cc1ccnc(Nc2ccc3c(c2)CCC3)c1Cl 236052223 PRRLBWFBULMKJK-UHFFFAOYSA-N 269.735 3.839 30 20 CHED N#CCCCc1nc(-c2cccc3ccccc23)no1 236185959 UCCMBAPTLPMOST-UHFFFAOYSA-N 263.300 3.736 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]([C@@H](C)O)C1 129896260 NFYJTXCCJRFUOA-CVEARBPZSA-N 283.456 3.747 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCCCO1 42824335 WEIYRRABMUNWMJ-GFCCVEGCSA-N 284.281 3.558 30 20 CHED N#Cc1cc(COc2ccc(C=O)cc2Cl)ccc1F 158556374 SQIFZUHZJUFULE-UHFFFAOYSA-N 289.693 3.742 30 20 CHED C=C(Br)CN1CCC[C@@H]1c1cccs1 52439936 YWSPDDAARCYHCX-SNVBAGLBSA-N 272.211 3.794 30 20 CHED C#CCCCCC(=O)Nc1ccc(-c2nccs2)cc1 179670808 NHTFZIKJIICFKN-UHFFFAOYSA-N 284.384 3.942 30 20 CHED CS[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 294475518 WJDMERYZTJJWRZ-NSHDSACASA-N 286.322 3.519 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(C)c1F 348666138 LYXCCPCLQNRCKS-UHFFFAOYSA-N 283.346 3.963 30 20 CHED CC(C)=CCCNc1c(C#N)cnc2ccccc12 302730106 ROMKSVQBYXGNRW-UHFFFAOYSA-N 251.333 3.875 30 20 CHED N#Cc1cc(CSc2cccc([N+](=O)[O-])c2)ccc1F 313562485 IZKKMWROBNLCIF-UHFFFAOYSA-N 288.303 3.898 30 20 CHED CCC1(CNc2ccc(C#N)c(Cl)c2)CCOCC1 336815603 IGKTWBOUXHYBJG-UHFFFAOYSA-N 278.783 3.830 30 20 CHED CCC[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)OC 378800265 UKGSEUPDCQOOLF-LBPRGKRZSA-N 286.297 3.804 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(F)c(C(F)(F)F)c1 393823761 WKAPWSVUWCHGAQ-SNVBAGLBSA-N 289.272 3.929 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc(F)cc1O 398072214 AIXKWRPTTPSYBU-NWDGAFQWSA-N 251.345 3.927 30 20 CHED N#CCCC1CCN(Cc2sccc2Cl)CC1 399260395 BKUUCTMSGYWRJX-UHFFFAOYSA-N 268.813 3.917 30 20 CHED Oc1ccc(C=NOCc2ccccc2)cc1Cl 921257643 LKYHGBIBQMMUBQ-UHFFFAOYSA-N 261.708 3.596 30 20 CHED C=CCCSCCNCc1cscc1Cl 594960161 LQVOEQLTEZOAPQ-UHFFFAOYSA-N 261.843 3.800 30 20 CHED CC(C)Nc1nnc(SCc2ccccc2C#N)s1 7006477 JNAURKOYJCEIJH-UHFFFAOYSA-N 290.417 3.522 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1ccc(C#N)cc1 172994462 GRMYEGPSCOOXTN-MAUKXSAKSA-N 298.430 3.918 30 20 CHED CC(C)Oc1cccc([C@@H](C)Nc2ncccc2C#N)c1 52280452 WTSFQQIDWYXOBS-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C1 345103386 LWCASTLYTQAXDV-ZJUUUORDSA-N 262.740 3.586 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Nc2ccccc2)C1 118396804 UDGGDDWDSHPPSI-KXBFYZLASA-N 291.398 3.806 30 20 CHED COc1ccc(C(=O)O[C@@H](C)CC#N)cc1-c1ccccc1 113691920 TVOONRDGEKEJQZ-ZDUSSCGKSA-N 295.338 3.821 30 20 CHED N#C[C@H](NC(=O)CCC1CC1)c1ccc(Cl)c(Cl)c1 115377787 QFLDRRWAZHVHPD-ZDUSSCGKSA-N 297.185 3.864 30 20 CHED C=CC1CCN(C(=O)/C=C(/C)c2ccc(F)cc2)CC1 110365598 RLUGBHWOUWJRCQ-SEYXRHQNSA-N 273.351 3.654 30 20 CHED N#Cc1cccc(N2CCCC3(CCCCCC3)C2)n1 301469603 NYNQGFKROGYNQV-UHFFFAOYSA-N 269.392 3.894 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccsc1 179327879 UAJRUDWZGFLFGX-OWOJBTEDSA-N 250.269 3.922 30 20 CHED CCCCCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 113259314 PZYPYMZCZBLOQY-UHFFFAOYSA-N 292.379 3.614 30 20 CHED CCc1ccc([C@H](C)C(=O)NCC#Cc2ccccc2)cc1 68097567 XXVBNTFBITVEDP-INIZCTEOSA-N 291.394 3.520 30 20 CHED N#Cc1ccc(Oc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 301057376 BYFMNYSCBZMCHS-UHFFFAOYSA-N 280.283 3.747 30 20 CHED CCN(C(=O)C[C@@H](C)SC)[C@H](C)c1ccc(C#N)cc1 179259118 BNCLLQNTQMPPQC-CHWSQXEVSA-N 290.432 3.609 30 20 CHED C=CC1CCN(C(=O)Nc2cc(OC)ccc2Cl)CC1 111738841 HYNYXZPGQGRLLS-UHFFFAOYSA-N 294.782 3.779 30 20 CHED C=CC[C@H](C)NC(=O)NCCc1c[nH]c2c(CC)cccc12 116971475 MECDANYQFKRKEA-ZDUSSCGKSA-N 299.418 3.537 30 20 CHED CCN(CC)C(=O)[C@H](C)S[C@H](C)c1ccc(C#N)cc1 118445743 UAJCWPKZNYQYLM-OLZOCXBDSA-N 290.432 3.609 30 20 CHED C[C@@H](SCC#N)c1ccc(OC(F)(F)F)cc1 68463361 FWRADRLWWIFZSB-MRVPVSSYSA-N 261.268 3.903 30 20 CHED CN(C(=O)CCSc1ccccc1)c1cccc(C#N)c1 63324825 IAQBSGQXGDGCNJ-UHFFFAOYSA-N 296.395 3.703 30 20 CHED CN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCC1 171139802 YJCFWPRGWFXHKK-UHFFFAOYSA-N 288.395 3.521 30 20 CHED C=CC1CCN(C(=O)Nc2cc(Cl)ccc2F)CC1 111711655 KCOOEOWFFHLGTL-UHFFFAOYSA-N 282.746 3.909 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2ccccc21 63961854 HZXOFPWIIFBOTH-QGZVFWFLSA-N 290.366 3.925 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1cc2ccccc2o1 301266335 HYJGXHXGTKNWON-NSHDSACASA-N 263.300 3.873 30 20 CHED CCSCC[C@@H](C)N(C)c1c(F)cc(C#N)cc1F 301753124 VZEYURQELBXSCG-SNVBAGLBSA-N 284.375 3.804 30 20 CHED N#Cc1ccc(NCc2cc(-c3ccccc3)on2)c(F)c1 302629207 GEYYUFALGWEWRF-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@](C)(C#N)CCc2ccccc2)C1 129377118 WTIMESQQKAMCOE-SUMDDJOVSA-N 298.430 3.844 30 20 CHED Cc1cc(C#N)ccc1CN(C1CCCC1)C1CC1 186225258 CBVGUNHQGDAIDH-UHFFFAOYSA-N 254.377 3.774 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCC[C@@H](SCC)C1 188390427 GVKSNHKZLDAUMN-UKRRQHHQSA-N 269.454 3.723 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1 121592639 RGGNAYGOIFKKMD-GJZGRUSLSA-N 292.423 3.803 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 185699597 GKPIGSOBVDRJLF-PBHICJAKSA-N 287.378 3.929 30 20 CHED N#Cc1nnc2ccccc2c1Oc1ccc(F)c(F)c1 77165532 CNUHZWHGFREVLN-UHFFFAOYSA-N 283.237 3.572 30 20 CHED CC[C@](C)(C#N)NC(=O)/C(C)=C/c1cccc(Cl)c1 123122811 CFCYGQGANPVRAP-KUCQQTCKSA-N 276.767 3.552 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416098815 KNWVPEOVRKCELV-AOIWGVFYSA-N 296.414 3.734 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)CC(F)F 412845758 VYSMRYTWPGTCOG-JSGCOSHPSA-N 281.346 3.581 30 20 CHED N#CCCN(CCCCC(F)(F)F)Cc1ccccn1 155071767 HYKBPVRKKMWCHZ-UHFFFAOYSA-N 285.313 3.530 30 20 CHED COc1cc(C#N)cc(Cl)c1OCC1CC(F)(F)C1 418816267 GHUSSZZDJLQYAL-UHFFFAOYSA-N 287.693 3.644 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(C)c(C)c1 73623362 FKDKEOSVTMJBTE-HNNXBMFYSA-N 274.408 3.528 30 20 CHED C=CCS[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 129347637 TYBCTTPLHFDAEG-JTQLQIEISA-N 276.361 3.725 30 20 CHED N#CC1(C(=O)Nc2nc(-c3cccs3)cs2)CCC1 128026271 VAFWAJNHVFTNIL-UHFFFAOYSA-N 289.385 3.504 30 20 CHED Cc1cccc2c(CC(=O)Nc3ccc(C#N)cc3)c[nH]c12 78058084 ZVUFBLWZAIAWKC-UHFFFAOYSA-N 289.338 3.529 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl 410834743 LLZQOGQPPPXKOS-KWCYVHTRSA-N 290.794 3.594 30 20 CHED COc1c(C)cnc(CSCC2(C#N)CCC2)c1C 419451492 DFNOAISDMJRGRG-UHFFFAOYSA-N 276.405 3.634 30 20 CHED C[C@@H](CCCc1cccnc1)Nc1ccc(F)cc1C#N 413395453 NRZSNQRRUBZKFZ-ZDUSSCGKSA-N 283.350 3.916 30 20 CHED C=CCOCCSCc1ncccc1C(F)(F)F 419503655 UABRWDLWQDXMLC-UHFFFAOYSA-N 277.311 3.536 30 20 CHED CC(C)CN1CCC[C@@H](CN[C@@H](C)c2cccc(C#N)c2)C1 182045714 RKUVWSGFKMCAHW-WMZOPIPTSA-N 299.462 3.577 30 20 CHED COc1cc(CN2CCC[C@@H]2C(C)(C)C)ccc1C#N 442881635 BGMGELHELCGNOL-MRXNPFEDSA-N 272.392 3.577 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1Cl)[C@@H]1CC1(C)C 416084867 PPOUBDHDGGVPMV-GXTWGEPZSA-N 290.794 3.766 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 416107926 PKDDKHUDYJTNFN-HBUWYVDXSA-N 296.414 3.878 30 20 CHED CC[C@H](C)[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 181571334 JGYVAXCQKOGGHJ-HOTGVXAUSA-N 299.462 3.547 30 20 CHED C=CCN(Cc1conc1CC)CC1CCCCC1 508555333 ZZRGCDMEFCGNFU-UHFFFAOYSA-N 262.397 3.805 30 20 CHED COc1cc(C#N)ccc1CSCC1CC(F)(F)C1 419508617 DNZGKNGSVSFEKV-UHFFFAOYSA-N 283.343 3.845 30 20 CHED C=CCOc1cccc(CN2CCC[C@@H]2c2cccn2C)c1 506016034 CDPYIBBURGOVNW-LJQANCHMSA-N 296.414 3.927 30 20 CHED C=CCSCCNc1ccc(C#N)c(Cl)c1 218869998 XHWNTEFLHBBYDQ-UHFFFAOYSA-N 252.770 3.543 30 20 CHED C=CCC[C@H](N[C@H]1C[C@@H](OC(C)C)C1)c1ccco1 414141534 JTAUCAXTIZJQLZ-ZNMIVQPWSA-N 263.381 3.833 30 20 CHED CCCN(CC1CC1)C(=O)c1cccc(SCC#N)c1 79395600 JZFRTVIJOWBQMY-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CCN(CCc1ccccc1)c1cccc(F)c1C#N 506859136 YVAXFOXETMYYST-UHFFFAOYSA-N 268.335 3.766 30 20 CHED C=CCOC(=O)c1csc(-c2ccc(OCC)cc2)n1 78552710 BJCBDUYIZUXKPL-UHFFFAOYSA-N 289.356 3.552 30 20 CHED CC[C@@H](C)c1cc(C(=O)N(CCC#N)C(C)(C)CC)on1 189940622 PRYWYOKMPYCIPP-GFCCVEGCSA-N 291.395 3.733 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(F)ccc1O 180077623 JGTMSWHKSMFTBS-UHFFFAOYSA-N 278.371 3.683 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2F)cc1 182766806 RMQYCJSZMJOEIH-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCNC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 42924777 NFHOMSAMVJYAQH-OAHLLOKOSA-N 276.355 3.542 30 20 CHED CC[C@@H]1C[C@@H](C(O)=Nc2cccc3ocnc23)CCO1 328850988 BRCIWHXOEXQGJG-WDEREUQCSA-N 274.320 3.621 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc2ccccc2c1O 320331885 ZGEVSQQFBSXULG-UKRRQHHQSA-N 285.387 3.523 30 20 CHED C[C@]1(NC(O)=Nc2cccc3ccccc23)CCCOC1 329144495 MZQDUUQMXZGWEY-KRWDZBQOSA-N 284.359 3.544 30 20 CHED Cc1nc(C(C)(C)/N=C(/O)C2CCC(=O)CC2)sc1C 329901512 OQLSPLRBFKJCEO-UHFFFAOYSA-N 294.420 3.711 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cc(C(F)(F)F)ccc2F)C1 424196590 NEJWYSSNCXSYRZ-JOYOIKCWSA-N 286.272 3.626 30 20 CHED C=CCCCC(=O)N(CC(F)F)c1ccc(F)cc1 193858523 WFVBHLHIIRHREN-UHFFFAOYSA-N 271.282 3.780 30 20 CHED C[C@@H](N[C@@H]1CCc2c(O)cccc21)c1cccc(C#N)c1 135043709 YYCVRKNYCUNRKF-SJKOYZFVSA-N 278.355 3.602 30 20 CHED CCCCCCCC[S@@](=O)Cc1nc(C2CC2)no1 190790497 UHKPBKMEIIZOIA-LJQANCHMSA-N 284.425 3.556 30 20 CHED C[C@@H]1C[C@@H](C)[C@@H](C(O)=Nc2ccc3ccoc3c2)O1 328675457 QUPAZJRIKONBIV-RULNRJAQSA-N 259.305 3.834 30 20 CHED CC(C)(CCC#N)CN1CCN(C2CC2)c2ccccc21 190282014 MHNVVCHVSJFSSP-UHFFFAOYSA-N 283.419 3.805 30 20 CHED CC(C)(CC#N)CN[C@@H](Cc1ccncc1)c1cccs1 424336787 QZBYJZXLQUIQKZ-HNNXBMFYSA-N 299.443 3.956 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2c2ccc(C#N)cc2[N+](=O)[O-])C1 514080648 VPAUOUUSMBUVSH-SUMWQHHRSA-N 299.374 3.871 30 20 CHED CCN(C[C@@H](OC(C)C)c1ccccc1)C[C@@H](C)C#N 428424814 SRGJMRJOZCYMRX-DOTOQJQBSA-N 274.408 3.634 30 20 CHED Cc1ccc(CNc2ccc(C#N)nc2)c(OCC2CC2)c1 88741743 DVZRKFVKHUTXJP-UHFFFAOYSA-N 293.370 3.663 30 20 CHED C=CCCS[C@H](C)c1cn(-c2ccccc2)nn1 339092004 RMGIQUFHEPUJOB-GFCCVEGCSA-N 259.378 3.638 30 20 CHED N#Cc1c(N2CCC[C@H]2c2cccs2)ncc2c1CCC2 425205441 WEKRQJFNGKVJTG-HNNXBMFYSA-N 295.411 3.845 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 332673583 FWOCCCYXCVMNDW-XQLPTFJDSA-N 276.424 3.647 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCn2c(cc3ccccc32)C1 335175751 PBCQKCUIGQOLCA-UHFFFAOYSA-N 296.414 3.976 30 20 CHED Cc1nc2ccc(N=C(O)N3CC[C@H]4CCC[C@@H]43)cc2o1 330231701 FBTRJJLKDCFOIM-RISCZKNCSA-N 285.347 3.556 30 20 CHED CC(C)Cn1cc(N=C(O)N(C)CC2CCCCC2)cn1 331257870 YPFNHLCJPQTBOW-UHFFFAOYSA-N 292.427 3.597 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(OC)c(O)c1 519484719 YDTVJJQJWFNKLO-OLZOCXBDSA-N 263.381 3.796 30 20 CHED CC(C)(CC1CCCCCC1)NC(=O)NCCCC#N 436329659 YAWPMHYKLWWVMM-UHFFFAOYSA-N 279.428 3.728 30 20 CHED C=CCCCC(=O)Nc1c[nH]nc1-c1ccccc1F 338208113 QUXJWZZNQOORKB-UHFFFAOYSA-N 273.311 3.511 30 20 CHED N#Cc1nn(Cc2cc3ccccc3o2)c2ccccc12 432453732 CIXIGVBZGOITBR-UHFFFAOYSA-N 273.295 3.702 30 20 CHED CCc1nc2cc(N=C(O)N3CC[C@H]4CCC[C@H]43)ccc2o1 330256891 QKIVEVSNWICQBI-BXUZGUMPSA-N 299.374 3.810 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCC[C@@H](C)C2)cc1 237586075 FNNIEZMUWKRDBE-IJEWVQPXSA-N 272.392 3.646 30 20 CHED Cc1cnccc1SCc1cccc(C#N)c1F 338623618 NFTJWOPYHCLNJW-UHFFFAOYSA-N 258.321 3.693 30 20 CHED Cc1nnc(CSc2ccc(C#N)cc2Cl)s1 334463157 YSRGYIYJCFQLEG-UHFFFAOYSA-N 281.793 3.664 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)Cc1ccc(C)s1 432080434 OFKCZMZYAQKFBF-LBPRGKRZSA-N 294.464 3.889 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1ncc(CC)o1 527362355 HWPLGHJJSMNOHO-UHFFFAOYSA-N 287.359 3.862 30 20 CHED N#Cc1cccc(SCCOc2ccccc2)c1 435037549 OBQRTGXMUOCOFX-UHFFFAOYSA-N 255.342 3.729 30 20 CHED Cc1cc(F)ccc1N(CC#N)Cc1cccc(C#N)c1 348136641 RQILQAWMVXLDEH-UHFFFAOYSA-N 279.318 3.536 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CCc2cncs2)cc1 340556409 ZLIZABMLHYQSRU-UHFFFAOYSA-N 299.399 3.516 30 20 CHED C=C[C@@H](Cc1nc(-c2ccnc(C)c2)no1)c1ccccc1 432684337 DFUPYOHPEFSHLC-AWEZNQCLSA-N 291.354 3.952 30 20 CHED C[C@H]1CC(F)(F)CCN1CC#Cc1cccc(Cl)c1 528764654 BVKHEZDFNYYNOA-LBPRGKRZSA-N 283.749 3.811 30 20 CHED CC(C)(C)[C@@H]1CCCN(C[C@@H](C#N)CCC#N)CC1 247046108 OGDPERBQGSWJTK-HUUCEWRRSA-N 261.413 3.578 30 20 CHED C=CCC[C@@H](NC(=O)c1cncc(F)c1)c1ccccc1 435283796 BGONJHFRJBOUNU-MRXNPFEDSA-N 284.334 3.658 30 20 CHED COc1ccc(CN2CCC(F)(C#N)CC2)c2ccccc12 348718255 XCLNAJFZQZXCHU-UHFFFAOYSA-N 298.361 3.676 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(-c2cccs2)o1 341474949 KDFIYHUZPORNJW-LLVKDONJSA-N 288.372 3.630 30 20 CHED N#CCN(Cc1ccc(F)c(Cl)c1Cl)C1CC1 432738403 JQUXNRDTCMFJMQ-UHFFFAOYSA-N 273.138 3.620 30 20 CHED Oc1ccc(C=Nc2cc(Cl)ccc2Cl)c(O)c1O 255843072 IPBZPBFKGLCWIW-UHFFFAOYSA-N 298.125 3.861 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)c1cccc(C#N)c1 600848197 BFGJJOILLQLPEG-LBPRGKRZSA-N 277.327 3.612 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc3nccn23)s1 255105976 PDGUGLNOSFHADM-VURMDHGXSA-N 282.368 3.854 30 20 CHED C[C@@H]1[C@@H](Nc2c(C#N)nnc3ccccc23)CCC[C@H]1C 252124496 JWJUIXIKZQCZRJ-DYEKYZERSA-N 280.375 3.738 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)C1CCSCC1 342808522 CTFKWEZZHSNRIX-ZDUSSCGKSA-N 286.444 3.669 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1C)C(C)(C)C 431750428 AZNDRKLUEJOQCT-CQSZACIVSA-N 273.380 3.813 30 20 CHED N#C[C@H](NC(=O)c1csc(Cl)c1)c1ccccc1F 344080951 UMKXVVFLSVOYTE-NSHDSACASA-N 294.738 3.535 30 20 CHED C=CCC1(C(=O)N2CCC(CC(F)(F)F)CC2)CCC1 347334556 BJNTZPZYVPFVTM-UHFFFAOYSA-N 289.341 3.924 30 20 CHED CCCc1nc(CON=Cc2ccccc2F)cs1 254955684 CZRNHHVFYHLNEQ-UHFFFAOYSA-N 278.352 3.785 30 20 CHED C[C@@H](CC#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 604573456 WVKRGGDLOQYOMV-IUCAKERBSA-N 285.174 3.515 30 20 CHED C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(C#N)cc1 183390361 XGVZKPVBGMHBIP-LBPRGKRZSA-N 268.364 3.683 30 20 CHED Cc1cc(-c2noc(-c3cccc(C#N)c3C)n2)c(C)o1 347165790 ZJJGQHKIZADGJW-UHFFFAOYSA-N 279.299 3.794 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1ccc(Cl)s1 255640469 WJMMIBUNSXFAHR-ARJAWSKDSA-N 267.737 3.902 30 20 CHED Cc1ccc2c(CC(=O)N[C@@H](C#N)CC(C)C)coc2c1C 608823206 QCIMDJXUEUYMHE-OAHLLOKOSA-N 298.386 3.647 30 20 CHED C=CC1CCN(Cc2ccc3oc(C(=O)OC)cc3c2)CC1 525635480 BQZFHHWCEPECRB-UHFFFAOYSA-N 299.370 3.617 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCCC1=CCCCC1 602500642 CQQYEOBKIJVLPD-HNNXBMFYSA-N 276.424 3.565 30 20 CHED CCCC1(C(=O)Nc2cccc(OCCCC#N)c2)CC1 348825465 ATTASPWEXKWTIT-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C[C@H](c1ccc(F)cc1)[S@](=O)Cc1cccc(C#N)c1 341765747 AKSDPDYGZNOURC-MPBGBICISA-N 287.359 3.707 30 20 CHED N#C[C@@H]1N(CC2CCCCCC2)CCC[C@]12CCCCO2 447907564 SGNISIMPZZQDQF-ZWKOTPCHSA-N 290.451 3.884 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CC[C@@H](C)C1 444150594 SOOCUALHXHGDNR-KGLIPLIRSA-N 252.402 3.563 30 20 CHED CN(Cc1ccc(CC#N)cc1)CC1(c2ccccc2)CC1 444677755 UUOGDCUAOLGAJJ-UHFFFAOYSA-N 290.410 3.916 30 20 CHED C[C@H](C1CC1)N(C)C(=O)c1c(Cl)cc(C#N)cc1Cl 600983489 LHVOUDQXVNFGRI-MRVPVSSYSA-N 297.185 3.736 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 442877132 QYEFRDBZVZUHJN-UIBBOPPKSA-N 274.795 3.868 30 20 CHED N#Cc1c(CON=Cc2ccccc2F)cn2ccccc12 255326424 GKYNWQTZFIIOMK-UHFFFAOYSA-N 293.301 3.501 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ccc2nccnc2n1 530429706 GSMXYIAGDBYRKZ-UHFFFAOYSA-N 290.370 3.608 30 20 CHED C=CCn1c(C)nnc1SC[C@H]1CCc2ccccc21 355454853 XPQBXZZOELUVDH-CQSZACIVSA-N 285.416 3.595 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2cccc(C#N)c2)C1 600226309 NZVUANPLWXKHPK-UHFFFAOYSA-N 270.376 3.599 30 20 CHED C[C@@H](CCC#N)CNC[C@@H](c1ccccc1)C(F)(F)F 602622403 IEUQEOBOHZVIAK-JSGCOSHPSA-N 284.325 3.862 30 20 CHED C=CCC[C@@H](NCc1cnn2ccccc12)c1ccco1 353864405 ITFNOHLJJIAMAG-OAHLLOKOSA-N 281.359 3.724 30 20 CHED CCCC(=O)Nc1cccc(NCc2cc(C#N)cs2)c1 355488022 AWABOXZBYOCHEM-UHFFFAOYSA-N 299.399 3.970 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)c1ccc(Cl)c(C#N)c1 537581518 XVYAJROZRJNSOE-JTQLQIEISA-N 288.734 3.638 30 20 CHED CCc1c(NC[C@@H](C)CCC#N)cnn1CCC(C)C 602635177 QIKORCPCSXZGRZ-AWEZNQCLSA-N 276.428 3.843 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@]1(C)CC=CCC1 448955442 MIZKKHCRFUDLLS-SFHVURJKSA-N 285.387 3.614 30 20 CHED CC(C)O[C@@H]1C[C@@H](NC2CCC(C)(C#N)CC2)C1(C)C 449251918 RIZBYCJIRDNUMA-GYMHETDLSA-N 278.440 3.641 30 20 CHED C=CC[C@@H](CC)Nc1ccc(-c2nc(C)c(C)c(O)n2)cn1 357684386 LBSJQPDBTPANMD-CQSZACIVSA-N 298.390 3.628 30 20 CHED CO[C@H](c1ccccc1Cl)[C@H](C)NCCCCC#N 351196386 BPBDQZDSSSWYTL-WFASDCNBSA-N 280.799 3.699 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCCC[C@@H]1CC 537197064 IZSABRLRLLEIPK-HOTGVXAUSA-N 281.440 3.834 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(C#N)cc1F 352721784 XBSHBMDRKXBMBL-UHFFFAOYSA-N 284.334 3.521 30 20 CHED C[C@@H]1c2ccccc2CCN1CCOc1ccccc1C#N 531140226 KHIXWOBJNXKZKR-OAHLLOKOSA-N 292.382 3.556 30 20 CHED C=C(CC)CS[C@H](C)C(=O)Nc1ccc(F)c(F)c1 536881155 IBLMQAWOHOXIAM-SNVBAGLBSA-N 285.359 3.991 30 20 CHED C=CCN(C(=O)c1ncccc1Oc1ccccc1)C1CC1 441288473 SIUSYFGJDFRSFS-UHFFFAOYSA-N 294.354 3.665 30 20 CHED N#Cc1ccn(CCCOc2cccc3ccccc23)c1 535127206 ADECRJNHUPJTJV-UHFFFAOYSA-N 276.339 3.982 30 20 CHED Cc1nc(-c2nc(C3C[C@@H](C)C[C@H](C)C3)no2)ccc1C#N 357660334 FHUBKPVUWZBVKC-QWRGUYRKSA-N 296.374 3.851 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCC3(CCCCC3)O2)CC1 449280319 XDRLOEIWVANSJH-CGZBRXJRSA-N 290.451 3.930 30 20 CHED C=CC[C@H]1N(C(=O)C2CC3(CC3)C2)CCCC1(C)C 614056567 VJZXCUFUGCNHQL-CQSZACIVSA-N 261.409 3.770 30 20 CHED Cc1cc(C)nc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 356523737 VNSZFCHAWIOTNG-INIZCTEOSA-N 293.370 3.725 30 20 CHED C=CC(C)(C)CN[C@H](CCOC)Cc1cccc(F)c1 449484657 IUMXMPBUHKHMES-MRXNPFEDSA-N 279.399 3.575 30 20 CHED C[C@H](CN[C@H]1CCCCc2cc(C#N)ccc21)C1CC1 619508305 UUAKGQBGCQHSNR-ACJLOTCBSA-N 268.404 3.961 30 20 CHED C=C(C)CCN[C@H](c1ccc2nc(O)oc2c1)C(C)C 453330982 ZCFHKNIGNRCVIP-HNNXBMFYSA-N 274.364 3.786 30 20 CHED C=CCN(CCC#N)Cc1sc(C)cc1Br 453572298 FFHYFYDCCPEQRS-UHFFFAOYSA-N 299.237 3.721 30 20 CHED C=CCC1(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CCCCC1 450144112 ZAXPWAIQPAEHPG-OKZBNKHCSA-N 295.426 3.968 30 20 CHED C=CCC(CC=C)c1nc(C2(COC)CCCC2)no1 453289216 KEGLGTALJDQMQQ-UHFFFAOYSA-N 276.380 3.764 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 452525782 JJZCUHXWJVFXNI-CVEARBPZSA-N 296.414 3.532 30 20 CHED C#CCCCC(=O)N1CCCC[C@H]1c1nc2ccccc2o1 365376592 DUKCHVXBQXYIEM-HNNXBMFYSA-N 296.370 3.685 30 20 CHED C=CC(C)(C)CNC(=O)c1c(-c2ccccc2)noc1C 452773844 CDOLPTGSXBTGRE-UHFFFAOYSA-N 284.359 3.592 30 20 CHED C=C(C)[C@H](Cc1nc([C@H]2CCCCS2)no1)OCC 274032023 OKPLGLKCHPTJQK-NWDGAFQWSA-N 282.409 3.552 30 20 CHED CC[C@H](NCc1ccccc1N(C)C)c1ccc(C#N)cc1 278879812 XWGRIFZFTHUBJA-SFHVURJKSA-N 293.414 3.865 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CSc3ccccc32)C1 617784447 SGOIOXZOKNOPCB-UKRRQHHQSA-N 287.428 3.691 30 20 CHED CCC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccn1 618567913 IRGZPHLUNGJXDH-DZKIICNBSA-N 257.381 3.595 30 20 CHED C[C@]1(C#N)CCCN(CCc2c(F)cccc2Cl)C1 612167746 WGUJMMXBZMUPIL-OAHLLOKOSA-N 280.774 3.647 30 20 CHED C=CCC1(NC(=O)c2cc3ccsc3[nH]2)CCCC1 619115187 WJPOWHBHSYRNGG-UHFFFAOYSA-N 274.389 3.848 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 279857327 CEXHASWOCVNHIQ-ZBFHGGJFSA-N 287.378 3.628 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(-c2nc(C)cs2)c1 362680370 RMXFRTUYLRQQHD-JTQLQIEISA-N 287.388 3.815 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(SC2CC2)cc1 457994064 NNEDNHIASWEURF-UHFFFAOYSA-N 288.416 3.611 30 20 CHED CCS[C@H](C)c1noc([C@H](C)c2cccc(C#N)c2)n1 361263833 WCUILUCZRDIRJH-GHMZBOCLSA-N 287.388 3.907 30 20 CHED CCC[C@H]1CCc2ccccc2N1C(=O)CCCC#N 361932433 ILXDRYJAOBZTSC-HNNXBMFYSA-N 270.376 3.828 30 20 CHED C=CCC1(C(=O)N2CCS[C@@H](C)CC2)CCCCC1 451176896 SISHKUAQPHYMAW-AWEZNQCLSA-N 281.465 3.867 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 457588526 VCENQNOBTKYWCC-QLFBSQMISA-N 291.439 3.536 30 20 CHED C=CCC1(NC(=O)COCc2ccccc2)CCCCC1 456382186 NGPLEGRZWSNLQX-UHFFFAOYSA-N 287.403 3.598 30 20 CHED C=C1CCN(C(=O)Cc2ccccc2OC2CCCC2)CC1 457543373 UAOIOTLSAOBAFS-UHFFFAOYSA-N 299.414 3.729 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nnc(CCc3ccccc3)o2)C1 450855005 FHRZOVZOIPIKMZ-ZIAGYGMSSA-N 299.399 3.639 30 20 CHED C=CCN(C(=O)CCc1c[nH]c2c(C)cccc12)C1CC1 271585013 VYBFAEXXFGKGSV-UHFFFAOYSA-N 282.387 3.586 30 20 CHED Cc1ccc2c(c1)CCN(Cc1ccc(C#N)c(F)c1)C2 361841871 HKVANDVTJYTPSG-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=C(CNC(=O)c1ccc2oc(C)nc2c1)c1ccccc1 360210282 WLCNDXYLNJDTGQ-UHFFFAOYSA-N 292.338 3.579 30 20 CHED CC(C)Cc1ccc(CC(=O)N2CCC(CC#N)CC2)cc1 541045965 AFWFSSCIVOAGBZ-UHFFFAOYSA-N 298.430 3.580 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1SC 453374853 WYZDSOVDOUADEZ-YUELXQCFSA-N 277.433 3.793 30 20 CHED C=CCC[C@H](NCC1(C#N)CCC1)c1ccccc1 450675238 BLMCUNDNRHEUAQ-INIZCTEOSA-N 254.377 3.977 30 20 CHED COC[C@@H](C#N)Nc1ccc(-c2ccccc2)cc1C 543116237 XIMSCNCMOCQRLJ-MRXNPFEDSA-N 266.344 3.613 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCC[C@@H](CC)C1 540500336 FZTDUIIMONCGLX-HZPDHXFCSA-N 281.440 3.834 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1CC1CCCCC1 377753549 HUTXRYRFDMRBIL-HNNXBMFYSA-N 276.424 3.888 30 20 CHED CN(CCNc1c(Cl)cccc1C#N)c1ccccc1 462917304 QSQOQQFHNJPQPG-UHFFFAOYSA-N 285.778 3.760 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCCCCSC(C)=O 281641456 QTHJIXGGZIZYLB-HNNXBMFYSA-N 285.453 3.545 30 20 CHED C=C(C)CCNc1ccccc1C(=O)N1CCCCC1 288689541 JWKUYYSKBFLFQO-UHFFFAOYSA-N 272.392 3.691 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3cc(C#N)ccn3)C2)cc1 557675544 PLILOYDUYCUBAU-YOEHRIQHSA-N 277.371 3.644 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccccc1C)C(C)C 464762670 WYMRTLRCFXXDEI-ZFWWWQNUSA-N 260.381 3.566 30 20 CHED CC[C@@](C)(C#N)C(=O)N(Cc1ccccc1F)CC(C)C 288141445 ALVRDKRZMWOQRO-KRWDZBQOSA-N 290.382 3.750 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 466402172 RYFVGPJMXFAODX-XIRDDKMYSA-N 286.419 3.929 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)[C@@H](C)c1cccc(C#N)c1 462015315 KZJQZRZEXBTLMO-YOEHRIQHSA-N 284.403 3.699 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@@H]1c1ccccc1)C1CC1 552490352 OVPNNKMURYLLDX-SJORKVTESA-N 284.403 3.683 30 20 CHED C[C@H]1CCc2c(C(=O)N[C@@H](C#N)C(C)(C)C)csc2C1 464712951 RJAWCMVGMQDNHV-HZMBPMFUSA-N 290.432 3.541 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1cccc(OC)c1 281516533 WWMHUYYMOXKLEY-DZGCQCFKSA-N 275.392 3.660 30 20 CHED C=CCCCNC(=O)N1CC(C)(C)[C@H]1c1cccs1 288237546 AWEWXWHBXONJQB-CYBMUJFWSA-N 278.421 3.807 30 20 CHED C=CCC[C@@H](NCC1(C)CCOCC1)c1ccco1 286225373 SMBJHWPHKSVXMU-CQSZACIVSA-N 263.381 3.693 30 20 CHED CC[C@H](CC(=O)NC1(c2cccc(C#N)c2)CC1)C(C)C 552817313 KDCRPGYTNKIGAH-OAHLLOKOSA-N 284.403 3.736 30 20 CHED C#CCCCC(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 297095833 FQQWPAWMXMVVFN-IRXDYDNUSA-N 269.388 3.585 30 20 CHED Cc1cc(CNc2ccccc2SCCC#N)on1 290524167 NFRJWRVUGHPPLX-UHFFFAOYSA-N 273.361 3.601 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 473869022 NGUBLNWBGPUNFG-MNOVXSKESA-N 290.338 3.897 30 20 CHED C=CCCCCCCNC(=O)c1cc(OC)ccc1OC 805219938 BOVMFGWDWVIGIV-UHFFFAOYSA-N 291.391 3.570 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)OCCO[C@H](C)C#N 801838672 GBJFMJIQNSSIKT-ZBFHGGJFSA-N 295.423 3.845 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(NC(C)=O)cc1 293561337 APKCLXAFQMUPCN-ZDUSSCGKSA-N 274.408 3.898 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1 291050619 ZUNOPOQYKHMQFK-MAUKXSAKSA-N 283.415 3.995 30 20 CHED Brc1ccccc1C=NNCC1CCCC1 808006584 YMIXCWYPYFUBIU-UHFFFAOYSA-N 281.197 3.563 30 20 CHED CCc1c(C)sc(NC(=O)c2cc(C)cc(C)n2)c1C#N 800881150 LBVOBBUJGXUMIX-UHFFFAOYSA-N 299.399 3.755 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccc(C)c(C)c1)C1CC1 472568950 WUFOYANORLFXEC-GOSISDBHSA-N 273.420 3.595 30 20 CHED C#C[C@@H](NC(=O)N1CC[C@@H](c2ccccc2C)C1)C(C)(C)C 808315764 MADMIALDBGQGQW-NVXWUHKLSA-N 298.430 3.542 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1cc(C)cc(C)c1)C1CC1 800993178 WGQZIAQBLJDYJD-ZWKOTPCHSA-N 273.420 3.671 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(-n3cccn3)c2)n1 561488543 OTVSYMWHCIYAFM-UHFFFAOYSA-N 294.358 3.776 30 20 CHED CC(C)[C@@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 292046942 GEXFITVJNBHNMM-OAHLLOKOSA-N 278.783 3.847 30 20 CHED C=CC1CCN(Cc2cc3cc(Cl)cnc3o2)CC1 648372740 JFLYMBBSMZCCTF-UHFFFAOYSA-N 276.767 3.879 30 20 CHED C#C[C@@H](NC(=O)/C=C/c1ccc(Cl)s1)C(C)(C)C 702239358 KTYBAIMKAUIBMV-MXMFLMJRSA-N 281.808 3.579 30 20 CHED C#CCC(C)(C)c1nc(CSCc2ccccc2)no1 809424748 YPUBKPQVMRPARD-UHFFFAOYSA-N 286.400 3.804 30 20 CHED C[C@H]1CC[C@H](C=NNc2ccnc(Br)c2)C1 800816068 YXSVRJFPXKLIDB-UWVGGRQHSA-N 282.185 3.678 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](C)C(CC)CC 804834029 VBYPWRYCYFAFMM-HNNXBMFYSA-N 271.404 3.721 30 20 CHED CCc1ccc([C@H]2CCCN(c3ccc(C#N)cn3)C2)cc1 561449351 NZLNIJBEWJSHJX-SFHVURJKSA-N 291.398 3.900 30 20 CHED Cc1cc(-c2ncco2)ccc1NC(=O)CC(C)(C)C#N 566461764 PMGXCXJVTQBJNM-UHFFFAOYSA-N 283.331 3.528 30 20 CHED C#Cc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 809423999 CBXARMLCONYSEC-UHFFFAOYSA-N 289.300 3.977 30 20 CHED N#Cc1cc(CN2CCC=C(c3ccccc3)C2)ccc1F 560169495 AXYLMZFDLFUYAL-UHFFFAOYSA-N 292.357 3.987 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(SC)s1 565591685 VVNAMRDEDGLNQD-BXUZGUMPSA-N 283.462 3.541 30 20 CHED CC[C@@H](C)NN=Cc1c(Cl)cc(Cl)cc1N(C)C 811648002 CCRLCSCPOMLUMO-SECBINFHSA-N 288.222 3.781 30 20 CHED C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 565053853 JSLZLPGZEYSUBE-DDUZABMNSA-N 296.414 3.878 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 811990777 ACUPQKAUWRIZCO-ZJUUUORDSA-N 299.201 3.718 30 20 CHED CCc1nocc1C=NNc1c(Cl)cccc1Cl 814871868 MPAFCIXWXVJYCB-UHFFFAOYSA-N 284.146 3.990 30 20 CHED C=CCCCCNCc1cc(Cl)c(F)cc1O 816570837 IZVQECZPNFASQD-UHFFFAOYSA-N 257.736 3.631 30 20 CHED Cc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc1C 811695808 MHRVGBFULJVRGX-IUXPMGMMSA-N 273.335 3.998 30 20 CHED CC(C)[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 486637188 OQDOEPZLHASZOA-OAHLLOKOSA-N 284.384 3.747 30 20 CHED CC(=NNc1cccc(C#N)c1)[C@@H](C)CCCCC(=O)O 814787268 XRPVZRSTNFRSDR-LBPRGKRZSA-N 287.363 3.627 30 20 CHED C#C[C@H](NCc1ccc(OC)cc1)c1ccc(Cl)cc1 811516353 MBUZXRDPBBGGMY-KRWDZBQOSA-N 285.774 3.813 30 20 CHED CCC#C[C@@H](C)Sc1ccc(-c2ccco2)nn1 651209714 NTOKEQXZMFAKHF-LLVKDONJSA-N 258.346 3.631 30 20 CHED CS[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)C(C)(C)C 571816515 HRVRYJRKLHRMBN-ZDUSSCGKSA-N 293.392 3.656 30 20 CHED CC(Cc1nc2ccccc2s1)=NOC/C=C\Cl 811670615 WXEBJTOIYNWWOR-PLBVDPBDSA-N 280.780 3.984 30 20 CHED Clc1cccnc1NN=C1Cc2[nH]c3ccccc3c2C1 814810683 STFDMNXLMXTLCB-UHFFFAOYSA-N 296.761 3.783 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(CC)c1 486418974 LTBOWEJIBOMJOR-CQSZACIVSA-N 276.355 3.961 30 20 CHED CCc1noc(-c2ccc(C)c(N[C@@H]3CC[C@@H](C#N)C3)c2)n1 572346389 JFQXKONFIVQJRB-TZMCWYRMSA-N 296.374 3.712 30 20 CHED C=CCCCCC[C@H](C)NCCc1ccc(N)cc1 817958826 ZDIPMVDNRHWNDI-HNNXBMFYSA-N 260.425 3.926 30 20 CHED CC(=NOCC1CC1)c1ccc2ccccc2c1O 814243715 KQIZVOOGBJFBLZ-UHFFFAOYSA-N 255.317 3.696 30 20 CHED C=CCCOC(=O)[C@@H](C)c1cccc(Br)c1 812608341 KUCCYGWLNJFKTI-JTQLQIEISA-N 283.165 3.672 30 20 CHED CC(=O)c1sccc1OCc1cccc(F)c1C#N 488302096 XAHNYJDDZNPABR-UHFFFAOYSA-N 275.304 3.540 30 20 CHED N#CCCC1CCN(c2c(C#N)cnc3ccccc23)CC1 578886761 VTYFDGFKQJOBEM-UHFFFAOYSA-N 290.370 3.627 30 20 CHED C#CCC1(C(=O)N2CC[C@@H](C)C[C@H]2C)CCCCC1 819683380 ZNTCFTIDTCTNNB-HUUCEWRRSA-N 261.409 3.607 30 20 CHED C=CCC[C@H](C(=O)N1CCC(F)(F)C1)c1ccccc1 489995711 IZHZBTIGGPMYPK-AWEZNQCLSA-N 279.330 3.604 30 20 CHED C=CCCCCOC(=O)[C@H](CCC)c1ccccn1 811010028 GJEZGHCVLYLKAL-CQSZACIVSA-N 261.365 3.865 30 20 CHED Cn1c([C@H](C#N)C(=O)CC(C)(C)C2CC2)nc2ccccc21 815898206 WJDHKKCGUUCONH-CYBMUJFWSA-N 295.386 3.576 30 20 CHED N#Cc1ccc(F)cc1CN(CC1CCC1)CC1CC1 483284201 ULWFWNAZKDPIDK-UHFFFAOYSA-N 272.367 3.709 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1ccc(C#N)s1 486611433 QNNWBDDUUKFIIV-LLVKDONJSA-N 264.394 3.566 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(CSC)c1 577256421 UOILXJUTXJWUQR-UHFFFAOYSA-N 286.400 3.789 30 20 CHED CC(C)c1cnc(C=NN[C@@H](C)C(C)(C)C)s1 814937509 JBYLPXIULDRYAX-JTQLQIEISA-N 253.415 3.625 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccccc1Cl 488831752 HDSCCSGGJAPIBS-AWEZNQCLSA-N 277.795 3.840 30 20 CHED CCN(C)c1ccccc1CNC1CCC(C)(C#N)CC1 823802316 YZEWWMITRNXBDN-UHFFFAOYSA-N 285.435 3.705 30 20 CHED CC1=CC(=NNC(=S)Nc2ccccc2F)CCC1 727253455 CMUMOFQPCBVYAG-UHFFFAOYSA-N 277.368 3.598 30 20 CHED CC(C)(C)CN(CCC#N)C[C@@]1(C)CC1(Cl)Cl 827872800 JSCKFQYMFHGQPW-GFCCVEGCSA-N 277.239 3.832 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](c2ccc(C)cc2)C1 574817585 CNKPEOWFJNOVCJ-KRWDZBQOSA-N 294.398 3.612 30 20 CHED Fc1cc(F)cc(NN=Cc2cc(F)c(F)c(F)c2)c1 727969810 LMHBFUCFURNRKS-UHFFFAOYSA-N 286.203 3.828 30 20 CHED CCC[C@]1(C)CCCN(C(=O)CCCCCC#N)C1 588628548 QBZKKHKOIUBRCD-MRXNPFEDSA-N 264.413 3.889 30 20 CHED COc1cccc(NN=Cc2cc3cccc(OC)c3o2)c1 725852568 ANINUAQWFWXRGK-UHFFFAOYSA-N 296.326 3.896 30 20 CHED N#CCCSc1ccccc1NCCOCC1CCC1 905105321 YLMGMDGLSKFWMM-UHFFFAOYSA-N 290.432 3.921 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@@H]1C(C)C)c1ccncc1 734680868 RDYKPZVFZVAZPB-JKSUJKDBSA-N 287.407 3.529 30 20 CHED C=CCCCOC(=O)c1cccc(Br)c1 735523147 FUIYDYYZHTWDAX-UHFFFAOYSA-N 269.138 3.572 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)CCC=C(C)C 584608274 OVFALBOLUSCACB-RYRKJORJSA-N 293.451 3.856 30 20 CHED Cc1nc2c(OCc3ccc(C#N)cc3C)cccc2o1 585728253 KCXAGBZZJKRODZ-UHFFFAOYSA-N 278.311 3.895 30 20 CHED Cc1c2c(nc3ccc(F)cc13)CC[C@](C)(C#N)C2 905018215 UHAOIIRVSCGUPX-INIZCTEOSA-N 254.308 3.701 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)c1ccc(F)cc1 495139457 LPBZVYRCKXXNSI-CZUORRHYSA-N 290.382 3.679 30 20 CHED CC[C@H](C)[C@H](C=NNc1ccc(F)c(F)c1F)OC 834983037 PNNHBWGZFUWEEW-KWQFWETISA-N 274.286 3.563 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)Cc2ccccc2CC#N)C1 837167879 QEDIEKGEFDSMHR-HNNXBMFYSA-N 298.430 3.580 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C\c1nc(C)c(C)[nH]1)C2=O 901499457 GAQOACXGBTZEGS-DHDCSXOGSA-N 296.370 3.593 30 20 CHED C[C@@]1(C=NNc2ccc(F)c(F)c2)CCCS1 901317615 KZCDTCALGSDZIJ-LBPRGKRZSA-N 256.321 3.648 30 20 CHED C=C(Br)CN1CCC(c2ccccc2F)CC1 736946895 VURPVSAKZZDMRA-UHFFFAOYSA-N 298.199 3.914 30 20 CHED N#Cc1ccc(Sc2nnc(C(F)(F)F)s2)cc1 582585403 WROJHLINVBQNPT-UHFFFAOYSA-N 287.291 3.580 30 20 CHED Cc1csc(C(=O)OC[C@H](C#N)Cc2cccs2)c1 835261128 QBWKFAUZCSIDQY-NSHDSACASA-N 291.397 3.657 30 20 CHED C#CC(C)(C)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 733979194 UVENCRZAKFDONW-MNOVXSKESA-N 296.197 3.625 30 20 CHED C=CCN(C(=O)C[C@@H]1CCc2ccccc2C1)C(C)C 732535286 CQPGCOCHNGFRBK-OAHLLOKOSA-N 271.404 3.605 30 20 CHED Cc1ccccc1C1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CC1 839056254 ZUFDNCINBUYIKE-GJZGRUSLSA-N 283.371 3.652 30 20 CHED C[C@](C#N)(NC(=O)C[C@H]1C=CCCC1)C1CCCCC1 582881204 JYUFNPFQFXXVMU-WMLDXEAASA-N 274.408 3.712 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1csc(Cl)c1 588559599 VSJQRHLMWIOUFS-ARJAWSKDSA-N 267.737 3.902 30 20 CHED C=C(CNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 673343314 JILKCTFFHVZOEX-IBGZPJMESA-N 291.394 3.936 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2CCc3ccc(F)cc32)c1 730146839 GXWPFPKQWZIXNW-WSLMLHKMSA-N 285.318 3.646 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 839227302 VKALRZAJPOUUEJ-QMMMGPOBSA-N 298.260 3.632 30 20 CHED C#CCCOc1ccc(-c2nc([C@H](C)C3CC3)no2)cc1 834645367 DIUKPAJTTWHVHL-GFCCVEGCSA-N 282.343 3.652 30 20 CHED CCCCCCCC(=O)N(CC)CC(F)(F)F 915150151 NAORRIYRLRFDGJ-UHFFFAOYSA-N 253.308 3.758 30 20 CHED CC(C)CCC/N=C/c1cc2ccccc2nc1O 914558062 QVLLUESFNNILQZ-GZTJUZNOSA-N 256.349 3.796 30 20 CHED C#C[C@H](C)OC(=O)c1ccc(-c2ccc(C)cc2)cc1F 744180855 CPYVOZWTDWHXCX-ZDUSSCGKSA-N 282.314 3.980 30 20 CHED C=CC[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 596428346 UEIIVHZAYLCAPF-NSHDSACASA-N 295.308 3.765 30 20 CHED CCCCCCCCCNC(=O)NCc1cccn1C 743710401 PBWQZQKKOOATQN-UHFFFAOYSA-N 279.428 3.575 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1F)C2 747441683 XPUJQPGVZYZIGR-KPKJPENVSA-N 286.277 3.796 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@H]2C[C@H]21)c1ccccc1 672131531 MNGOSKKOUPYRKT-YESZJQIVSA-N 269.388 3.747 30 20 CHED CC[C@@H](C#N)C(=O)N1CC(C)(C)c2c(Cl)cccc21 593436045 DGJFWNHNTNPKIF-JTQLQIEISA-N 276.767 3.514 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2c[nH]c3ccccc23)o1 745623919 CKBCQHZHYBMCBV-UHFFFAOYSA-N 293.330 3.597 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC[C@@H](CC(F)(F)F)C1 595551419 LRVBWFCAJGOGOE-JSGCOSHPSA-N 282.309 3.916 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N[C@@H]1CCSC1 591917489 QDPCZDCVGCMDCB-SNVBAGLBSA-N 289.791 3.677 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc2c(c1)OCCO2 916155740 XJFGEDHGOURFFE-VURMDHGXSA-N 280.323 3.662 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2cccnc2)cc1 917552898 UMVNCOMDQSLBLR-CQSZACIVSA-N 267.376 3.890 30 20 CHED CC(=NNc1ccccn1)c1sccc1Br 915047778 APVDNCBBQCJPFY-UHFFFAOYSA-N 296.193 3.742 30 20 CHED CC(C)CN(CCC#N)Cn1cc(C(C)C)n(C)c1=S 747453778 IXVCNLXOMNBDRL-UHFFFAOYSA-N 294.468 3.509 30 20 CHED CN(CCC#N)c1ccc(C=NNc2ccc(F)cc2)cc1 916268014 DROUMUBAINRBCR-UHFFFAOYSA-N 296.349 3.622 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1ccc(F)cc1F 748226175 MOAXRJGXENESRD-JTQLQIEISA-N 254.276 3.925 30 20 CHED C[C@H]1CN([C@H](C)c2cccc(C#N)c2)C[C@@H](C)C1(F)F 599060790 ZHVTUQBKYSGSML-FRRDWIJNSA-N 278.346 3.842 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1 748233632 GWXOHZWNMMFTSF-NSHDSACASA-N 280.751 3.811 30 20 CHED Cc1ccc2c(CC(=O)N(CCC#N)CC(C)C)coc2c1 917363836 DMMVDIOBMNMDET-UHFFFAOYSA-N 298.386 3.682 30 20 CHED O=C(CC1CCC1)N1CCCSC1=Nc1ccccc1 744351425 LCYTUVICYNNYGF-UHFFFAOYSA-N 288.416 3.830 30 20 CHED CC(=NNc1ccccc1)c1c(C)nn(C(C)C)c1C 746484379 HTQLHCGHLIUGGI-UHFFFAOYSA-N 270.380 3.917 30 20 CHED COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c(F)c1 593638509 JJSPDNGADNHTQG-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)Nc1cc(C)cc(C)c1 748239785 JKWPEFPMTOZXJQ-CQSZACIVSA-N 289.375 3.530 30 20 CHED C#CCCNC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 841584341 HYHIPNZKIZOUDO-QGZVFWFLSA-N 296.414 3.727 30 20 CHED CCCOc1ccc(C(C)=NNc2cc(C)nc(C)n2)cc1 915970847 PKYRANVUHLLRKZ-UHFFFAOYSA-N 298.390 3.718 30 20 CHED CCCCCCCCCN(C)C(=O)NC[C@H]1CCCOC1 919653880 GPRBXGDSDTWTES-MRXNPFEDSA-N 298.471 3.805 30 20 CHED C=CCN(C(=O)c1csc(-c2ccc(C)o2)n1)C(C)C 915153256 ILDQVMUROATTRW-UHFFFAOYSA-N 290.388 3.748 30 20 CHED CCCCC[C@](C)(CC)C(=O)N(C)[C@@H](C#N)CC 847168921 PHDCKTNDCAYEJP-HIFRSBDPSA-N 252.402 3.744 30 20 CHED CC(C)C1CCN(c2nc(C#N)c(Cl)s2)CC1 596136437 AJSRKBDLLPAHKC-UHFFFAOYSA-N 269.801 3.541 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccncc2)c1 743478371 ZWPTWFDRYONLOL-RHSMWYFYSA-N 295.386 3.613 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CC[C@@H]2SCCS[C@H]21 846754856 UVBDVUWEMGYTOC-ILXRZTDVSA-N 290.457 3.658 30 20 CHED N#CCc1ccc(C(=O)OCCC2(C#N)CCCCC2)cc1 840378422 HZKXUUZPKOZVFH-UHFFFAOYSA-N 296.370 3.774 30 20 CHED C=C(C)CONC(=O)C(C)(C)Cc1cccc(Cl)c1 846537831 PQWXWPGJXVNLHQ-UHFFFAOYSA-N 281.783 3.533 30 20 CHED CCc1nc(C=NNc2nccc3sccc23)cs1 755650107 GRBFIKMTZMXXCD-UHFFFAOYSA-N 288.401 3.761 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1ccccc1OC 850485457 IWERYKMKZKIFQO-SFHVURJKSA-N 294.398 3.850 30 20 CHED CCC(=NNc1ccccc1)c1cc(C(=O)O)ccc1F 756873359 SKFPDNCAAZYNAK-UHFFFAOYSA-N 286.306 3.750 30 20 CHED C=CCN(C)C(=O)c1cc2c(Cl)cccc2s1 681674531 PFQCXYFAFQSJPX-UHFFFAOYSA-N 265.765 3.813 30 20 CHED CC#CCOC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 753561735 KTPCXFKSRYBVCI-UONOGXRCSA-N 256.345 3.542 30 20 CHED C#CCCCCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 757986119 NXCUUSPEALBJEM-INIZCTEOSA-N 285.431 3.908 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)cc1 755588070 XMZNOYDCLOSUDM-BAQGIRSFSA-N 287.309 3.927 30 20 CHED C#CC[C@H](NCc1cc(C)ccc1F)c1ccccc1 756995337 GKVKFIVIGWAUPZ-SFHVURJKSA-N 267.347 3.988 30 20 CHED N#C[C@@H](C(=O)C=C1CCC1)c1ccc2ccccc2n1 756222191 BHKSRKPUSRQKNG-CQSZACIVSA-N 262.312 3.521 30 20 CHED C#CCCCCNC(=O)N1c2ccccc2C(C)(C)[C@@H]1C 853853314 WFZFBDQZQRRJCG-AWEZNQCLSA-N 284.403 3.686 30 20 CHED Cc1ccc(O[C@@H](C)C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851214491 ZYEDJQDSGGTLRK-KGLIPLIRSA-N 289.375 3.634 30 20 CHED CC(=NOCC1CCC1)c1ccc2ccccc2n1 853439583 MNZLZNQUPINKQH-UHFFFAOYSA-N 254.333 3.776 30 20 CHED Fc1ccc(NN=Cc2cnn(Cc3ccccc3)c2)cc1 751368853 NRZPYSJYPPIYED-UHFFFAOYSA-N 294.333 3.517 30 20 CHED Cc1nc(C(C)C)oc1C(=O)O[C@@H](C)CC(C)(C)C#N 851204831 VRCGGCYKKIYNED-JTQLQIEISA-N 278.352 3.592 30 20 CHED COc1cccc(/C=N\C[C@@H](C)c2ccccc2)c1O 920943884 CIGUGPMEGSWEDY-FDIDITGRSA-N 269.344 3.623 30 20 CHED C=CCCONC(=O)CCCc1ccc2ccccc2c1 856034083 GCBPEJVSQAEZFO-UHFFFAOYSA-N 283.371 3.786 30 20 CHED C#CCCCC(=O)N1CCCC[C@H]1c1ccccc1OC 758303923 ZWKKVIUOBCHVFB-INIZCTEOSA-N 285.387 3.552 30 20 CHED CC(C)Oc1cccc(C=NNc2nc3ccccc3[nH]2)c1 921253832 QYDILROIRWODKI-UHFFFAOYSA-N 294.358 3.796 30 20 CHED C#CC[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1 757582352 ZUOBEOZZVQPSJA-HNNXBMFYSA-N 295.407 3.731 30 20 CHED CC(C)(C=NNc1cccc(C(F)(F)F)n1)CCC#N 755739389 LJNCNGUJEAVULP-UHFFFAOYSA-N 284.285 3.828 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(O)c(F)c1 755578518 FBYNGSRMTOSPBM-VURMDHGXSA-N 256.276 3.736 30 20 CHED Fc1ccc(-c2ccc(C=NOCC(F)F)o2)cc1 758898961 BEXXLPRZEDDTBI-UHFFFAOYSA-N 269.222 3.701 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)O[C@H](C#N)C1CC1 860577137 HUGDIXWSQPETLB-MRXNPFEDSA-N 281.311 3.714 30 20 CHED C#CCOc1cccc(NC(=O)c2c(C)cc(C)cc2C)c1 761683672 ZAHMZEHUPWVDHK-UHFFFAOYSA-N 293.366 3.876 30 20 CHED CC(=NNCC(F)(F)F)c1ccc(-c2ccncc2)cc1 769808173 LGKXNVVWROQOOM-UHFFFAOYSA-N 293.292 3.625 30 20 CHED CCc1nn(C)cc1/C=C1\CCc2c(C)ccc(C)c2C1=O 769746789 NSJLUWVAXNLUFN-GXDHUFHOSA-N 294.398 3.812 30 20 CHED C=C(C)CN(CC)S(=O)(=O)/C=C/c1cccc(Cl)c1 768795234 NKRYRLBPMZPGMC-CMDGGOBGSA-N 299.823 3.539 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)Nc1sccc1C#N 931848204 VKOVVKWPPQYNMN-GFCCVEGCSA-N 277.393 3.662 30 20 CHED Cc1cc(/C=C\c2ncc(/C=C\C(=O)O)s2)ccc1C#N 766491357 OHDDGARLYQCAPU-KKWTZDJOSA-N 296.351 3.591 30 20 CHED CCC(CC)CNN=Cc1ccc(F)c(C#N)c1Cl 761826401 BIWGVDUZKRMJSN-UHFFFAOYSA-N 281.762 3.710 30 20 CHED C#C[C@@H](CC)OC(=O)c1sc(-c2ccccc2)nc1C 768048573 JMNMQAIWXXCRRA-ZDUSSCGKSA-N 285.368 3.687 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2ccccc2CC#N)s1 864982274 QBMIZGCWWVOHJV-LBPRGKRZSA-N 284.384 3.614 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccnc2Cl)CCCC1(C)C 767218909 MOHBPFUNSPYWLA-ZDUSSCGKSA-N 292.810 3.942 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccc(Cl)nc2)C1 768367511 QCCCMHGVQZFYGH-QWRGUYRKSA-N 251.761 3.959 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(OC)cc1 766772557 UPYYOCWWQCDQRX-RMKNXTFCSA-N 267.328 3.549 30 20 CHED CCC[C@@H](C)C(=O)N(c1ccccc1C#N)C1CCC1 1119487500 IAUGSZGCRNKXFG-CYBMUJFWSA-N 270.376 3.880 30 20 CHED N#Cc1cccc(N(C(=O)C[C@@H]2C=CCC2)C2CCC2)c1 1119486926 CAUVCEIWYFEHJF-CQSZACIVSA-N 280.371 3.800 30 20 CHED Cc1cccnc1C(=O)OCc1ccccc1C(C)(C)C#N 768038172 CQCPNQWFUJUEGC-UHFFFAOYSA-N 294.354 3.548 30 20 CHED N#Cc1cc(Oc2ccc3c(c2)[nH]c2ccccc23)ncn1 764762441 RQWNHBCJRKCZDU-UHFFFAOYSA-N 286.294 3.775 30 20 CHED CCOc1ccc(C=NOC/C(Cl)=C/Cl)cc1 763172703 VSVXTECKGNJBEP-OCLNWSFISA-N 274.147 3.755 30 20 CHED N#Cc1cccc(C(=O)Oc2ccc(Cl)c(F)c2)c1 761914745 QMZSQVCVTMQDLT-UHFFFAOYSA-N 275.666 3.570 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1cccc(-c2nc(C)co2)c1 878925811 ZACZUMMMUZEHHQ-KRWDZBQOSA-N 297.358 3.573 30 20 CHED C(=NN1CCC1)c1cnn(C2CCCC2)c1-c1ccccc1 872398127 FLQSDTUKWDBCJA-UHFFFAOYSA-N 294.402 3.705 30 20 CHED C#C[C@H](C)N(C)C(=O)c1nc(-c2ccccc2)oc1C(C)C 1116785491 WNKWNZWIQRKAHX-ZDUSSCGKSA-N 296.370 3.559 30 20 CHED CC[C@](C)(NCc1ccc(C#N)cc1OC)c1ccccc1 775391741 WKIONYBMIJWKNB-IBGZPJMESA-N 294.398 3.982 30 20 CHED CON(Cc1ccccc1)Cc1ccc(Cl)cc1C#N 775660049 NACBJUVKBSWXJE-UHFFFAOYSA-N 286.762 3.775 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1ccc(O)c(C)c1 776189314 DVFHKRPGVYBFPB-CSKARUKUSA-N 298.338 3.614 30 20 CHED C=C(C)CN(C)Cn1c(SC(F)F)nc2ccccc21 777960978 OENUHNCRWOLJGU-UHFFFAOYSA-N 297.374 3.816 30 20 CHED CCN(C(=O)CCCCCC#N)c1ccc(F)c(C)c1 874925345 FIEDHIYTQWNGRR-UHFFFAOYSA-N 276.355 3.961 30 20 CHED C#CCN(CC)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 776238336 JCEXVRYDAMGFBJ-MRXNPFEDSA-N 298.430 3.552 30 20 CHED C#CCCCCCCNc1ccc(C)c(N2CCNC2=O)c1 877483528 OQKUPEYAOXDOQR-UHFFFAOYSA-N 299.418 3.520 30 20 CHED CCCCCCNC(=O)c1ccc(Cl)c(C#N)c1 775610169 BZAWAXZKZZPQBE-UHFFFAOYSA-N 264.756 3.522 30 20 CHED CC(C)(CC(=O)[C@@H](C#N)c1ccccn1)c1ccc(F)cc1 870136744 RBQRPMAZMVWPKI-HNNXBMFYSA-N 296.345 3.765 30 20 CHED C(=NOC1CCCCC1)c1cnn(-c2ccccc2)c1 777457606 YJXQAUJLEHBEEO-UHFFFAOYSA-N 269.348 3.556 30 20 CHED N#Cc1ccc(/C=C2\Cc3c(F)cccc3C2=O)c(F)c1 772806173 KMCCJMFPYYMGBS-KPKJPENVSA-N 281.261 3.659 30 20 CHED Cn1nccc1/C=C1/C(=O)c2ccccc2SC1(C)C 871671101 ICEMHDJSAVYHMU-RAXLEYEMSA-N 284.384 3.571 30 20 CHED Clc1cscc1C=NNc1cnnc2ccccc12 771883842 JMOWQNMAKSBSJU-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=CCc1cc(CN[C@H](C)C2CCC2)cc(OC)c1OC 772944882 CMYMRKDUOUDPQK-CYBMUJFWSA-N 289.419 3.711 30 20 CHED CCOCCON=Cc1cc(-c2ccccc2)ccc1OC 774417209 IRQZBRVLXMMCPJ-UHFFFAOYSA-N 299.370 3.749 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)OCCC(C)(C)C#N 776397922 RZASMYLFHREDNK-AWEZNQCLSA-N 281.396 3.597 30 20 CHED CCC(=NOCCC(F)(F)F)c1ccc(F)cc1 777461332 XGWNUBYKEXCHOS-UHFFFAOYSA-N 263.234 3.909 30 20 CHED O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccncc1 776187959 FEJQXMJEFGEHLW-VOTSOKGWSA-N 276.295 3.633 30 20 CHED C#CCCCCC(=O)OCc1cc(-c2ccccc2)on1 773632762 QIJITJYKNCKGDE-UHFFFAOYSA-N 283.327 3.578 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ncccc1C(F)(F)F 1121175607 FQDZKOGYAQVXNF-LLVKDONJSA-N 298.308 3.671 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccc(C)c(C#N)c1 1127150617 UTPPXBZIHZAATE-UHFFFAOYSA-N 272.392 3.813 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)c1csc(C#N)c1 1124878665 PTSYAWPTENRZHZ-JTQLQIEISA-N 288.347 3.592 30 20 CHED CCCNN=Cc1cc(Cl)cc(C(F)(F)F)c1 780211139 CJMLLRVEHLANSR-UHFFFAOYSA-N 264.678 3.692 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)[C@@H](C#N)c2cccc(F)n2)C1(C)C 1122649962 MUFMSNJHFSJDDV-PRXAMGSTSA-N 288.366 3.859 30 20 CHED C/C(=C\N(C)C)C(=O)c1ccc(Cl)cc1Cl 95830684 GGNDITUHWHJBPJ-BQYQJAHWSA-N 258.148 3.642 30 20 CHED O=C(/C=C/c1cc(Cl)cc2c1OCC2)c1cccnc1 782878932 BZZYHLXUZOZQCU-ONEGZZNKSA-N 285.730 3.566 30 20 CHED C#CCCCCCC(=O)OCc1ccc(Cl)cc1C#N 780039938 PKZXZHQRXROPQF-UHFFFAOYSA-N 289.762 3.839 30 20 CHED CC(Cn1nc(C)cc1C)=NOCCCc1ccsc1 782948349 RFAYTVACDJVSMA-UHFFFAOYSA-N 291.420 3.587 30 20 CHED C[C@@H](OC(=O)c1nc(Cl)cs1)c1cccc(C#N)c1 789223966 OKVCYMRJOZMRMI-MRVPVSSYSA-N 292.747 3.586 30 20 CHED C#CCC1(OC(=O)/C=C/c2nc3ccccc3s2)CCC1 788068792 UYBRFWBPZBHFPD-CMDGGOBGSA-N 297.379 3.799 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)cc1 899333716 SLGAQHHHUSBXSK-YFHOEESVSA-N 266.344 3.813 30 20 CHED O=C1/C(=C\c2ccccc2)COc2c(F)ccc(F)c21 783711977 OOSMKTYYYUTGIZ-FLIBITNWSA-N 272.250 3.624 30 20 CHED C=C1CC(c2noc(-c3ccc(OC4CC4)cc3OC)n2)C1 896876836 AQGADLIOWDEEIH-UHFFFAOYSA-N 298.342 3.720 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1ccc(C)cc1 899334055 WVDLBVSNFKUNAP-KTKRTIGZSA-N 255.317 3.750 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2C2CC2)cc1C 899335328 AEDATGALBSHCGO-CMDGGOBGSA-N 280.371 3.810 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc(F)cc(F)c1 785761655 LTMLCQLWSPJXPL-CQSZACIVSA-N 254.276 3.610 30 20 CHED C=C(C)CCOC(=O)[C@H](OC(C)C)c1ccccc1 796405964 HQCCJOQSRSJMSW-OAHLLOKOSA-N 262.349 3.662 30 20 CHED Cc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1C#N 799296544 FYHYGKXKXDKDCA-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CCCCCCCOC(=O)C[C@@H]1CCC(=O)[C@H]1C 796231000 GLOJLBUYAVAVMA-STQMWFEESA-N 254.370 3.505 30 20 CHED COc1ccc(C=NNc2nc(C3CC3)c(C)s2)cc1 798344875 NSYUJPXNGWAEIL-UHFFFAOYSA-N 287.388 3.784 30 20 CHED COc1cc(C#N)cc(OCc2ccc(CF)cc2)c1 792671200 WOASMKWIGCQTMM-UHFFFAOYSA-N 271.291 3.615 30 20 CHED C=CCCCCCOC(=O)c1ccc(F)c(C#N)c1 792319991 ARMWCJKGCMWDAV-UHFFFAOYSA-N 261.296 3.601 30 20 CHED Cc1cc(C)c2c(c1)C(=NNc1ncccc1F)CCCO2 794991088 VERJSQBQEBFIKZ-UHFFFAOYSA-N 299.349 3.826 30 20 CHED Cc1ccc(C(=O)N2CCCc3c(C)cccc32)cc1C#N 799335449 CYYKJZGKFXCVTJ-UHFFFAOYSA-N 290.366 3.768 30 20 CHED CCCN(Cc1ccccc1)Cc1ccccc1C#N 58876656 MUWGDPUMTLORQU-UHFFFAOYSA-N 264.372 3.970 30 20 CHED COC1(C=NNc2ccccc2Cl)CCCC1 790141744 SCGVBLREBWWUBE-UHFFFAOYSA-N 252.745 3.697 30 20 CHED CCCCN(Cc1ccc(C#N)c(F)c1)CC(F)(F)F 192021929 CMPZORYHJJJRDE-UHFFFAOYSA-N 288.288 3.862 30 20 CHED CC(=NNc1ccccc1Br)c1cnoc1C 799476239 AFQYDIALYOJVDU-UHFFFAOYSA-N 294.152 3.582 30 20 CHED C=CCOc1ccccc1CN[C@H]1CC[C@@H]1C1CC1 562040259 XCQKFUSYASREAI-CVEARBPZSA-N 257.377 3.530 30 20 CHED C=C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(C)(C)C 798903159 SDDCATQLVRTKRN-OAHLLOKOSA-N 271.360 3.854 30 20 CHED CC[C@@H](C)NN=C1CCC[C@H](c2ncccc2C)C1 799113515 HUGGMKZCGOSNHG-KGLIPLIRSA-N 259.397 3.792 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C/C=C\c1ccccc1 790305933 BCMWYOKBBXWQRH-HPQKFPEESA-N 285.278 3.845 30 20 CHED C=CCC1(C(=O)OCc2csc(CCC)n2)CCC1 791559046 UVZYUXITVAHEEF-UHFFFAOYSA-N 279.405 3.885 30 20 CHED N#Cc1ccc(CNCc2coc3ccccc23)cc1 83601935 FPWYXLMYHXSKMX-UHFFFAOYSA-N 262.312 3.594 30 20 CHED O=C1/C(=C\c2cccs2)CCc2ccc(O)cc21 794960703 WRZVTASDPHINIF-FLIBITNWSA-N 256.326 3.666 30 20 CHED Cc1cc(C(=O)N(CCC#N)CC(C)C)c(C)cc1Cl 793246738 SFHOODVSGWZKPL-UHFFFAOYSA-N 292.810 3.969 30 20 CHED CC(C)CC[C@@H](NCc1ccc(C#N)cn1)c1ccoc1 796947228 JCXJFNBYGCXPBH-QGZVFWFLSA-N 283.375 3.813 30 20 CHED C#Cc1cncc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 798243138 XTAVUOJVTOGYEK-UHFFFAOYSA-N 298.345 3.982 30 20 CHED Clc1sccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 790171606 YBBRMZSZBPOYMO-QXEWZRGKSA-N 254.786 3.514 30 20 CHED O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccnc(O)c1 791432595 NETJSBJJCQEIJV-RQOWECAXSA-N 294.137 3.990 30 20 CHED Cc1nn(-c2ccccc2)c(CSC2CCC2)c1C#N 1307345936 TWHBFUKQOUUJSZ-UHFFFAOYSA-N 283.400 3.838 30 20 CHED CCOc1cc(F)ccc1NC(=O)CC#Cc1ccccc1 1319123967 YFWOVLJMXANVKC-UHFFFAOYSA-N 297.329 3.605 30 20 CHED Cc1nc(N(C)[C@H](C)C2CCCCC2)ccc1C#N 1612300888 FFNJHUQEEHJBDT-CYBMUJFWSA-N 257.381 3.667 30 20 CHED N#Cc1ccc2c(c1)N(Cc1c(F)cccc1Cl)CC2 1642594550 LPTUSHXJSSQPGY-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 1328092228 VZPLFWUTZBTWED-KQTLUZQSSA-N 287.403 3.572 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](C)n2cccc2)CCCC1(C)C 1320947758 LFEUOPGHMSONFV-LSDHHAIUSA-N 274.408 3.642 30 20 CHED CC(C)[C@H](Nc1ccc(OCC#N)cc1)c1ccc(F)cn1 1320174591 PEQFGYZIVGQRMU-KRWDZBQOSA-N 299.349 3.932 30 20 CHED Cc1cccc(CN(C)c2cccc(F)c2C#N)c1C 1651092812 IPXCDHSPLJTFMG-UHFFFAOYSA-N 268.335 3.951 30 20 CHED CN(C)c1ncccc1/C=C/C(=O)c1cccc(Cl)c1 1322820792 YCSNRAGKAGVAPC-CMDGGOBGSA-N 286.762 3.697 30 20 CHED CC[C@@](C)(C#N)c1nnc(-c2ccc(Cl)cc2)o1 1326989967 HNFBHWCRNSFPQF-ZDUSSCGKSA-N 261.712 3.581 30 20 CHED N#Cc1ccccc1SCc1cnc2ccccc2n1 1188789128 RUBVYAAQACWVML-UHFFFAOYSA-N 277.352 3.794 30 20 CHED Cc1nsc(Nc2ccc(-c3ccon3)cc2)c1C#N 1187702226 NRAWSIWQJHEQBY-UHFFFAOYSA-N 282.328 3.722 30 20 CHED C=CCC(F)(F)C(=O)N1Cc2ccccc2C2(CCC2)C1 1330423404 IIIPZHSCGZNCRC-UHFFFAOYSA-N 291.341 3.662 30 20 CHED CCCC[C@@H](C(=O)Nc1ccc(OCC#N)cc1)C(C)C 1331211601 WLTDRHGORXMVLG-MRXNPFEDSA-N 288.391 3.990 30 20 CHED Cc1ccc(CC(=O)OCc2ccc(C#N)s2)cc1C 1332976076 QSXXZGIQRNWEET-UHFFFAOYSA-N 285.368 3.523 30 20 CHED CCCCCCCn1cc(Br)c([N+](=O)[O-])n1 103552479 WEUDSECAFFSGKD-UHFFFAOYSA-N 290.161 3.524 30 20 CHED C=C[C@@](C)(CC)c1nnc(-c2ccc(Cl)nc2)o1 1330102078 XAEYWGJJPUCBGE-ZDUSSCGKSA-N 263.728 3.639 30 20 CHED C=CC1CCN(Cc2nc3c(s2)C[C@@H](C)CC3)CC1 1254010649 HWUUCAZYROYBHG-LBPRGKRZSA-N 276.449 3.666 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](C)Cc1ccc(OC)cc1 1333022651 NCBOTUSSPQTGEI-AWEZNQCLSA-N 289.419 3.687 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)C=C(C)C)c1cccs1 1343896151 SMIPCJMTXDMVCY-BXUZGUMPSA-N 263.362 3.848 30 20 CHED N#CC[C@H](OC(=O)c1cccc(C2CC2)c1)c1ccco1 1344936356 KQTBFBYKZLTMHV-INIZCTEOSA-N 281.311 3.969 30 20 CHED C=C[C@H](C(=O)N1CC(C)(CC(F)(F)F)C1)c1ccccc1 1352281987 XGRCJTITSBIROA-ZDUSSCGKSA-N 297.320 3.757 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)c2ccsc2C#N)c(C)c1 1353378178 XOHBPUXQNQQFMA-CYBMUJFWSA-N 298.411 3.598 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 1290782540 OMCYWIVBEBMTGF-BONVTDFDSA-N 292.329 3.535 30 20 CHED N#C[C@H](c1ccccc1)N1CCC2(CCCCC2)C1 1459545494 ABHFSNMEPRKEJP-MRXNPFEDSA-N 254.377 3.907 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C)n(C(C)C)n1 1520277132 NEFMQENCFXHDFY-CQSZACIVSA-N 290.411 3.735 30 20 CHED CCC[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1C 1520214590 DWTJHNUDRBZXOY-CQSZACIVSA-N 271.364 3.663 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)cc1C#N 1525558223 VEYXMTGWSGPPOB-AEGPPILISA-N 284.403 3.811 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1(c2ccccc2C)CCCCC1 1461198494 UPHWACQKDIVQGR-MRXNPFEDSA-N 298.430 3.958 30 20 CHED CO[C@](C)(CN1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC1 1461880073 IYAYFMPEFVAIPG-CEXWTWQISA-N 298.430 3.573 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1533709018 ZUXZUDIDUQGNLZ-LSDHHAIUSA-N 276.424 3.793 30 20 CHED N#Cc1ccc(/C=C/c2nc(Cl)c(C(=O)O)s2)s1 1601097725 DFHLELHFUQRROV-ONEGZZNKSA-N 296.760 3.598 30 20 CHED CC(C)CC[C@H](NC(=O)N1CCC[C@@H](C#N)C1)C(C)(C)C 1477912276 HBQZWUKKYWIZOA-GJZGRUSLSA-N 293.455 3.782 30 20 CHED Cc1cc(C)cc(-n2ccnc2S[C@H](C#N)C2CC2)c1 1613346932 VGJNKDLRHURMME-OAHLLOKOSA-N 283.400 3.883 30 20 CHED CCc1nc(C#N)cc(NCc2cc3cc(C)ccc3o2)n1 1472833581 ROABLXITGXUAQP-UHFFFAOYSA-N 292.342 3.577 30 20 CHED COc1cc(CN(C)CCc2ccccc2C)ccc1C#N 1621355215 QSZAUJUALKXTFW-UHFFFAOYSA-N 294.398 3.550 30 20 CHED C#CCCCCC(=O)N(C)Cc1ccc(Cl)s1 119496608 QZJAKQSQJZYOOU-UHFFFAOYSA-N 269.797 3.554 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)Nc1cccc(C#N)n1 1639530834 OJCJRZPHRPUCQK-MRXNPFEDSA-N 283.350 3.772 30 20 CHED N#Cc1cccc(CSc2ccc3[nH]ncc3c2)c1F 1641200939 MCUUJWQNBLQREP-UHFFFAOYSA-N 283.331 3.866 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(Cl)c(F)c(C(=O)O)c1 1573347868 PKSWPUWUTAJJEE-UHFFFAOYSA-N 299.729 3.718 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2Cl)ncc1C#N 1654916763 NPMXVLVFBRNUCP-UHFFFAOYSA-N 269.691 3.579 30 20 CHED N#Cc1ccccc1N1CCC(NCC2CCCCC2)CC1 1651400544 XPMOBQLGNLENFE-UHFFFAOYSA-N 297.446 3.697 30 20 CHED C=CC[C@@H](CC)N[C@H](CC)c1ccc(C(=O)O)cc1 1588736254 VNCIYLRRKNVFSU-HUUCEWRRSA-N 261.365 3.780 30 20 CHED Cc1cc(CN[C@@H]2C[C@H]2CC(C)(C)C)ccc1C#N 1651295011 ZSJRAZBGXOPUJT-JKSUJKDBSA-N 256.393 3.781 30 20 CHED C=C[C@@H](C(=O)O)N1CC=C(c2cccc3ccccc23)CC1 1588663317 DVRHYPJLYNVHCM-SFHVURJKSA-N 293.366 3.568 30 20 CHED N#Cc1ccc(COc2c(F)cccc2Cl)s1 1656392933 RBUPGOSMPOKDAJ-UHFFFAOYSA-N 267.712 3.991 30 20 CHED C=CCCCCCCN[C@@H]1CC[C@@H](CC(=O)O)[C@H]1C 1588798617 LXWPGJIIEBEBOL-QLFBSQMISA-N 267.413 3.602 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)c2cc(F)ccc2N(C)C)n1 1651530967 SWSMEYAQZCRHLZ-GFCCVEGCSA-N 298.365 3.640 30 20 CHED CCCCCCCCN[C@@]1(C)CCCC[C@H]1C(=O)O 1595704804 YRQUUUAAKWRFEL-HOCLYGCPSA-N 269.429 3.970 30 20 CHED O=C(O)c1ccc(F)c(/C=C/C(=O)c2ccc(F)cc2)c1 1776131497 SKJFUOBAPBXNHF-XBXARRHUSA-N 288.249 3.559 30 20 CHED O=C(O)c1ccc(C=NOC2CCCCC2)c(Cl)c1 1776056553 YOLBDTJHBRPABS-UHFFFAOYSA-N 281.739 3.721 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)c1cc(C)cs1 1776064180 BTLSFMAKRIYRSU-UHFFFAOYSA-N 292.335 3.730 30 20 CHED C=CCCC[C@H](NCc1ccccc1CC(C)C)C(=O)O 1776207321 QXWBKRXUXXRHGG-KRWDZBQOSA-N 289.419 3.784 30 20 CHED CCCc1ccc(C(=O)/C=C/c2ccnn2CC)cc1 152622144 NMMZDYCOIUQKEO-ZHACJKMWSA-N 268.360 3.752 30 20 CHED C=CCCC(=O)Nc1cccnc1-c1ccccc1 152538263 JHEDOJNWLQDYOK-UHFFFAOYSA-N 252.317 3.653 30 20 CHED CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 152003902 PMLJQGBVCSTUDE-UKRRQHHQSA-N 270.376 3.737 30 20 CHED C=C(C)CN(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 157058153 UHQDXJMYAYYGOK-FUHWJXTLSA-N 272.436 3.547 30 20 CHED CC#CCCSc1nnc(-c2ccc(F)cc2)n1CC 155312226 JBGCSUOTJQONJZ-UHFFFAOYSA-N 289.379 3.610 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1C=CCCC1 157801630 NJXZJEPPLHWBLA-AWEZNQCLSA-N 299.374 3.576 30 20 CHED CN(C)C(=O)CCCCSc1ccc(C#N)cc1Cl 154178935 MQCKQHDQPMFMPW-UHFFFAOYSA-N 296.823 3.562 30 20 CHED Cc1ccc(N(C(=O)c2sccc2C#N)C(C)C)cc1 155491132 JYHQFOWCSBPFGC-UHFFFAOYSA-N 284.384 3.983 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)cc1Cl 116996485 VIUNKUZQTLPEIJ-JTQLQIEISA-N 252.745 3.735 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(OC)cc(OC)c2)cc1 6340179 RYZSWVOKBTVWGK-RUDMXATFSA-N 298.338 3.609 30 20 CHED biogenic CCc1cccc(NCc2ccc(C#N)c(OC)c2)c1 234177097 ALDZUVYUBLCVPQ-UHFFFAOYSA-N 266.344 3.741 30 20 CHED C#Cc1ccc(CN[C@H](C)c2cccc(F)c2F)cc1 809629624 WEVHWEROXYNILV-GFCCVEGCSA-N 271.310 3.797 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(SC(F)F)cc1 136189815 KBNMUKOTGSRFCT-CYBMUJFWSA-N 284.331 3.880 30 20 CHED N#Cc1ccc(N2CCC3(CCCCC3)CC2)cn1 149399382 CQZKVHKEQHSNLP-UHFFFAOYSA-N 255.365 3.504 30 20 CHED N#CC1(NC(=O)c2cc(F)c(Cl)cc2F)CCCCC1 152211894 GTTVREGBELYRHC-UHFFFAOYSA-N 298.720 3.574 30 20 CHED C=CCOc1ccc(N(C)C(=O)OC(C)(C)C)cc1 165341469 FIJRAXFTOMSLGE-UHFFFAOYSA-N 263.337 3.623 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC)Cc1ccccc1 466367431 USDIOIXUZOVKMF-HNNXBMFYSA-N 260.381 3.573 30 20 CHED Cc1cc(N(C)Cc2ccc(Cl)s2)cc(C#N)n1 308283233 ZTRHIIWHJMPNGL-UHFFFAOYSA-N 277.780 3.613 30 20 CHED COC1(CNc2ccc(C#N)c(Cl)c2)CCCC1 311108516 VYWUUTXLNOBKED-UHFFFAOYSA-N 264.756 3.583 30 20 CHED Cc1nccc(N(C)Cc2cccc(C#N)c2)c1Cl 312124725 YOICJWNSAGSERV-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C=CCC[C@@H](CO)NC1CCC(c2ccccc2)CC1 320607453 GCOCPIVTXGZDSD-ABHNRTSZSA-N 273.420 3.630 30 20 CHED CCN(Cc1ccc(C)cc1)Cc1ccc(C#N)cc1 521222519 FNMHPGCIISACHE-UHFFFAOYSA-N 264.372 3.889 30 20 CHED CN(c1ncc(C#N)cc1Cl)[C@@H]1CCC(C)(C)C1 360054555 NGRJKIHNTZIQJS-LLVKDONJSA-N 263.772 3.622 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCc2ccc(O)cc21 690768116 VQHMUBDAJIZQSU-MRXNPFEDSA-N 268.291 3.502 30 20 CHED CCCC[C@H](C)N(C)Cc1ccc(C#N)c(OC)c1 382466494 DEMVIJRMUABYSO-ZDUSSCGKSA-N 260.381 3.577 30 20 CHED CC[C@@H](NCc1ccc(OCC#N)cc1)C1CCCC1 382811141 OKGLGXBVWFABRP-QGZVFWFLSA-N 272.392 3.647 30 20 CHED COc1ccc(CNCc2ccc(C#N)cc2)c(Cl)c1 915681728 GIKYVTJRBQTSEQ-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C=CCCN(OCc1ccccc1)[C@@H](C)CCC#N 839575780 WSEMAXFAZDCGQJ-HNNXBMFYSA-N 258.365 3.689 30 20 CHED O=C1/C(=C/c2cccnc2)CCc2[nH]c3ccc(F)cc3c21 26433432 UPZKBUVZCCCRLP-XYOKQWHBSA-N 292.313 3.915 30 20 CHED CC[C@H]1CCCCN1c1c(F)cc(C#N)cc1F 133948266 UYQMNHUWYQEJJA-NSHDSACASA-N 250.292 3.605 30 20 CHED CCC(CC)CC(=O)N[C@H](C)c1ccc(C#N)cc1 119622882 HMPHQRRCGCBWNL-GFCCVEGCSA-N 258.365 3.562 30 20 CHED N#Cc1ccc(N[C@H]2CCc3cc(F)ccc32)c([N+](=O)[O-])c1 57141703 JKBMFBWQWKETTP-AWEZNQCLSA-N 297.289 3.705 30 20 CHED CC[C@H](C)N(C(=O)c1c(F)cc(C#N)cc1F)[C@H](C)CC 119732254 CDDOCLNOJFTTLY-PHIMTYICSA-N 294.345 3.876 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1 179395011 XCOCRGSVJBWHCS-IFXJQAMLSA-N 276.383 3.971 30 20 CHED Cc1ccccc1-c1nc(C(=O)NCCCCC#N)cs1 171499341 CDRCHURSEDPVAZ-UHFFFAOYSA-N 299.399 3.542 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 176480534 YLIMRARLOVDAPR-CABCVRRESA-N 274.408 3.786 30 20 CHED C=C(C)CSCC(=O)N(C)[C@H]1CCCc2ccccc21 177864719 XVQKXWGWTREFCU-INIZCTEOSA-N 289.444 3.832 30 20 CHED Cc1ccc(CC(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 177766537 SCOUIEPNMJRIAV-AWEZNQCLSA-N 298.411 3.994 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)Cc2ccc3ccccc3c2)C1 179946406 YVLNPLCBBDDDJY-PBHICJAKSA-N 279.339 3.618 30 20 CHED C[C@@H](C#N)OC(=O)c1csc(-c2cccc(Cl)c2)n1 26681936 TZMVQCNPCYJNOC-QMMMGPOBSA-N 292.747 3.532 30 20 CHED N#Cc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1 25318499 KQSWNDGDCMZAOC-UHFFFAOYSA-N 276.339 3.619 30 20 CHED COc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1 69830893 WRAFTTHAELYDFJ-UHFFFAOYSA-N 295.386 3.657 30 20 CHED C#CCCCCC(=O)N(C)c1cccc(C(C)C)c1 119720612 YEUBPJBYXWMCAJ-UHFFFAOYSA-N 257.377 3.966 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1ccccc1C(F)(F)F 112534954 ANSAAYVSNHCASE-VXGBXAGGSA-N 295.308 3.800 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(C#N)c1 173562391 GPUBXLBCLGYLQG-SFHVURJKSA-N 292.382 3.652 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)Cc1cccs1 178570433 QZVFUEUWHZMKPK-NSHDSACASA-N 299.399 3.681 30 20 CHED C=CC1CCN(C(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)CC1 124118021 ZUYLMEREKFIFCF-RCDYEMGKSA-N 291.410 3.720 30 20 CHED C[C@](O)(CNc1ccc(C#N)c(Cl)c1)c1cccs1 301371989 UGFYTRWYRAPQPH-AWEZNQCLSA-N 292.791 3.593 30 20 CHED CCCCCOC(=O)CSCc1ccc(C#N)cc1 61335919 NQUBNDWHIAAUTQ-UHFFFAOYSA-N 277.389 3.525 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1cc(C)oc1C 127225102 XZRNBNFSHYZEMG-LBPRGKRZSA-N 261.365 3.842 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2ccc(CC#N)cc2)cc1 79648848 CTBWGTBODLPYME-AWEZNQCLSA-N 293.370 3.944 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1ccccc1OCC 121324621 WBXUBVQCSNUWJS-UHFFFAOYSA-N 273.376 3.817 30 20 CHED C=C(C)CCc1noc(/C=C/c2cccc(F)c2)n1 508661928 LITUWWDJOJHLDD-VQHVLOKHSA-N 258.296 3.888 30 20 CHED C[C@H](C#N)C(=O)N1CCCC[C@H]1CCCc1ccccc1 502378670 VNAOSLQVNHZFMZ-WBVHZDCISA-N 284.403 3.550 30 20 CHED C[C@H](NCCC1CC(F)(F)C1)c1cccc(C#N)c1 453413728 JBOSWZKOMXRNNZ-NSHDSACASA-N 264.319 3.644 30 20 CHED N#Cc1cccc(N2CCC[C@H]2/C=C/c2ccccc2)n1 503290371 ZOQNVXMHMURYLT-FLVLSHQESA-N 275.355 3.635 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CCC1 188741277 OHPNJNKOCCBAEJ-UHFFFAOYSA-N 287.359 3.879 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1nccs1 414302527 MOIQIAJIHISEHU-HIFRSBDPSA-N 272.417 3.981 30 20 CHED C=CCCSCc1nc(Cc2ccccc2C)no1 79919726 PDBDRUKOVPNYSZ-UHFFFAOYSA-N 274.389 3.778 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cc3c(cc2Cl)OCO3)C1 185876518 JZRZBWXOHAOLTK-NXEZZACHSA-N 278.739 3.563 30 20 CHED C[C@H]1Cc2ccccc2N1Cc1ccc(F)cc1C#N 488047536 ZRGJQHPRCHZUQZ-LBPRGKRZSA-N 266.319 3.649 30 20 CHED CC(C)CC[C@@H]1CCCCN1C(=O)CC(C)(C)C#N 501309453 VVMZTWXSOHSKCD-AWEZNQCLSA-N 264.413 3.744 30 20 CHED C=CCCCCCN(C)[C@@H]1CCN(CC)[C@H](C)C1 488467084 QOSQBMLUCWKLLZ-HZPDHXFCSA-N 252.446 3.537 30 20 CHED N#Cc1cccnc1Oc1ccccc1NCC1CC1 127717415 UMDUNOHWZATHCR-UHFFFAOYSA-N 265.316 3.567 30 20 CHED C=CCN(CC=C)C/C(C)=C\c1ccccc1COC 506865217 DSZQFKRLWVHOAP-SSZFMOIBSA-N 271.404 3.910 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CCC(C)CC1 508887362 IFYQZCZDNXAVDG-UHFFFAOYSA-N 296.418 3.676 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 180469752 TYPSJDFPGSUDPE-QWHCGFSZSA-N 297.320 3.843 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@@H]1c1cccnc1 370088299 CELIVZRPERWUQL-OAHLLOKOSA-N 283.762 3.948 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1oc2ccccc2c1C 506773654 RPFLAFDDCYWIKP-SJKOYZFVSA-N 284.359 3.858 30 20 CHED C=CCOc1cccc(/C=C(\C)c2cnccn2)c1 187648913 OBBKOLHOKOVGBU-JLHYYAGUSA-N 252.317 3.602 30 20 CHED C=CCn1c(C)cc(C(=O)CSc2nc(C)co2)c1C 188342590 MZGIPPPLDQXEAX-UHFFFAOYSA-N 290.388 3.562 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC[C@H]1CC=CCC1 181127662 RYDWFKACGAKWGE-KBPBESRZSA-N 256.349 3.746 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1CCC 79802437 VPVNFCDRSLPYCQ-IAGOWNOFSA-N 282.387 3.509 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1cccc(Cl)c1 216167867 LCFYYDCWUWKSOE-GFCCVEGCSA-N 280.799 3.565 30 20 CHED C#CCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 174192550 CRQQCOHSAVOQBX-UHFFFAOYSA-N 271.147 3.528 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCCF 377131318 UIONNAHCKAVHEY-HOTGVXAUSA-N 260.356 3.508 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCCCC1 413822813 LLKFJEGYTVIFMQ-KRWDZBQOSA-N 286.419 3.759 30 20 CHED Cc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1C 41545683 MJIQXYFKDQZEHW-AWEZNQCLSA-N 290.322 3.935 30 20 CHED CCCC[C@@H](CC)CNC(=O)NCc1cccc(C#N)c1 500239642 WQTNKMLBFYVPIQ-CQSZACIVSA-N 287.407 3.574 30 20 CHED C=CCN(CC=C)C(=O)CSc1ccccc1Cl 41104035 ZYSJCADUTNIVLA-UHFFFAOYSA-N 281.808 3.633 30 20 CHED CCN(CCC#N)C(=O)Nc1ccccc1SC(F)F 80166012 BBBVCMXBCAQYLV-UHFFFAOYSA-N 299.346 3.769 30 20 CHED N#CCc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 42200749 ZRBSQJUXRSNBIB-GOSISDBHSA-N 290.366 3.560 30 20 CHED Cn1ccc2cccc(NCCOc3ccc(C#N)cc3)c21 190807956 DNWDJUVNOVUPMB-UHFFFAOYSA-N 291.354 3.541 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)cc2O)cc1 224446771 GCASJKFLAOPIGU-UXBLZVDNSA-N 268.312 3.605 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2ccc(F)cc2C#N)C1 178894744 IRFSVRFHZKWTOY-NSHDSACASA-N 274.339 3.852 30 20 CHED Fc1ccc(C#CCN(C2CCC2)C2CCC2)cc1 429188585 ISCANEKSDVHZBP-UHFFFAOYSA-N 257.352 3.584 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1cccc(C#N)c1 137232761 RNJHUCZXLCOFAQ-YOEHRIQHSA-N 299.418 3.668 30 20 CHED C#CCCCC(=O)Nc1ccc(-c2nc(C)cs2)cc1 192249771 CQIZQGJVNLWFTM-UHFFFAOYSA-N 284.384 3.861 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cccc3ccn(C)c23)CCC1=O 329923072 GUDLHJFMEWMNQR-DGCLKSJQSA-N 284.359 3.772 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(Cl)cc(Cl)c1 227814426 LGNYATOVQIIHRC-UHFFFAOYSA-N 279.554 3.867 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 426025497 ZOPVGNFFPRHUPW-HLLBOEOZSA-N 286.419 3.929 30 20 CHED N#Cc1ccsc1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 510328692 DTKZVYMKVZCEPO-KBPBESRZSA-N 288.416 3.566 30 20 CHED C=CC[C@@H](C(=O)Nc1nnc(C2CC2)s1)c1ccccc1 516834140 YDMDPNPPJLAUST-CYBMUJFWSA-N 299.399 3.714 30 20 CHED COc1ccc(F)cc1[C@@H](C)Nc1cc(C#N)cc(C)n1 339967888 NGMMMIQPYLQJOI-LLVKDONJSA-N 285.322 3.583 30 20 CHED N#CCCCCN1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 339260517 ZIVGHAURUCJLSB-LUKYLMHMSA-N 260.425 3.971 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN1CCC(C#N)CC1 191060032 VQMKGDCPBNWQKO-UHFFFAOYSA-N 282.309 3.749 30 20 CHED C=CCn1c(C2CCC2)nnc1N1C[C@@H](C)CC(C)(C)C1 337863632 ORYZHFZPNZONIQ-ZDUSSCGKSA-N 288.439 3.604 30 20 CHED Cc1ccc2sc(C(=O)N(C)[C@H](C)C#N)c(C)c2c1 336283358 UDYAHBKHYZSONH-SNVBAGLBSA-N 272.373 3.502 30 20 CHED CC(C)(CCC(=O)N[C@H]1CCC[C@@H]1C#N)c1ccccc1 330452880 ZQGJDTHDCPISQL-ZBFHGGJFSA-N 284.403 3.553 30 20 CHED N#Cc1csc(CN[C@H]2CSc3ccccc32)c1 334173868 CDFGEHRICNINDJ-ZDUSSCGKSA-N 272.398 3.556 30 20 CHED CCO[C@@H]1C[C@H](NCCCC(C)(C)C#N)C12CCCC2 514757777 AZFXCIJZZCPBNN-LSDHHAIUSA-N 278.440 3.644 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 98029809 KLUGVFWPCYVJOV-KBPBESRZSA-N 288.391 3.761 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCCc3ccccc32)cc1 236694010 IVLMGGLETGPAIU-HXUWFJFHSA-N 291.394 3.866 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C2CCC2)cc1 332981859 UKMLADMAEIZQRF-ZBFHGGJFSA-N 283.375 3.768 30 20 CHED CC(C)c1nn(-c2ccccc2)cc1CNCCCCC#N 236643935 CDTGKISEOBOICN-UHFFFAOYSA-N 296.418 3.779 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1nsc2ccccc12 424749513 DVOBVEMJGGJKFQ-LBPRGKRZSA-N 288.416 3.700 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 331067384 QPZRSRSHLPHOAZ-XJKSGUPXSA-N 284.403 3.796 30 20 CHED CC(C)SCCN(Cc1ccc(C#N)cc1)C1CC1 338236885 ZJPOUVYLUAYWTK-UHFFFAOYSA-N 274.433 3.664 30 20 CHED C=CCOc1cccc(NC(=O)C2(C)CCCC2)c1 511300604 MFADRQYYXCYLRF-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)NCC(C)(C)CCC#N)C1 513146005 BADBBAKOZIBVDN-KRWDZBQOSA-N 293.455 3.928 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)NCC(C)(C)CCC#N)C1CC1 513113560 PFEWOAXODUIHEP-ZIAGYGMSSA-N 293.455 3.925 30 20 CHED COc1ccccc1C[C@H](C)N(C)CC(C)(C)CCC#N 93102469 QJCRNBJCNGRGJT-HNNXBMFYSA-N 288.435 3.888 30 20 CHED CC[C@@H]1CCCC[C@@H]1N/C(O)=N/CC[C@@H]1CCO[C@H](C)C1 330866086 ZIIQBYYMMSTZDC-FPCVCCKLSA-N 296.455 3.664 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC#Cc1ccc(F)cc1 438175370 INOUQMLGHCPSJA-KYJSFNMBSA-N 271.379 3.830 30 20 CHED C=C(C)[C@H](CC(=O)Nc1c(C)cc(C)cc1C)OCC 339203524 OWECRQHQGUIMLN-HNNXBMFYSA-N 275.392 3.922 30 20 CHED N#Cc1ccc(N2CCC=C(c3ccco3)C2)c(F)c1 343227410 VSKABGQYVNFVHN-UHFFFAOYSA-N 268.291 3.584 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)Cc1ccccc1 432555320 MROBNOUCESXOJF-UHFFFAOYSA-N 274.408 3.820 30 20 CHED C=CCOc1cccnc1-c1nc(-c2ccc(F)cc2)no1 340795180 KPTSRIZFLFLFBP-UHFFFAOYSA-N 297.289 3.503 30 20 CHED CC#CCCCC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 342011601 DUWYNRRBIKCASU-ZDUSSCGKSA-N 287.407 3.864 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cc3occc3s2)C1 609880166 AOCALQRVZRSHLF-BONVTDFDSA-N 288.372 3.697 30 20 CHED N#Cc1ccc(/C=C/c2cc(Cl)c3c(c2)OCO3)nc1 603894074 REWDWIHCMRUPNB-HNQUOIGGSA-N 284.702 3.506 30 20 CHED Cc1ccccc1Oc1ccccc1CNC(=O)[C@H](C)C#N 347105270 BJOZAGWFTBBSBS-CQSZACIVSA-N 294.354 3.563 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCc1ccc(C)cc1 436318842 ZAALEBSFMMAKQJ-NEWSRXKRSA-N 287.447 3.887 30 20 CHED CC(C)[C@H]1CCN1Cc1cccc(OCCCC#N)c1 342861421 NCQRMEMRVOMWTI-QGZVFWFLSA-N 272.392 3.599 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 522995752 GIDXAKXEBSOTEO-UONOGXRCSA-N 294.354 3.816 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1ccc(F)c(Cl)c1 255320622 NOMLZMVDJJICDL-XQRVVYSFSA-N 279.698 3.980 30 20 CHED C=CCSCCN[C@@H](C)c1cc(Cl)ccc1OC 543754938 UHFCLNXXWASWIG-NSHDSACASA-N 285.840 3.918 30 20 CHED N#Cc1ccc(S[C@H](C#N)C2CC2)cc1C(F)(F)F 601079762 FZOWITAKCOBAFP-GFCCVEGCSA-N 282.290 3.971 30 20 CHED Fc1ccc(C#CCSCc2cccnc2)cc1 342007927 RSCOGEDAZBGVHU-UHFFFAOYSA-N 257.333 3.506 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2c[nH]c(C(F)(F)F)c2)c1 606443644 WEJUUBGBOJDRJR-PLNGDYQASA-N 290.244 3.801 30 20 CHED CN(C)Cc1ccc(NCc2cccc(C#N)c2)cc1Cl 355577851 BXIXALMYKOAKAH-UHFFFAOYSA-N 299.805 3.885 30 20 CHED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)CC1(CC#N)CC1 602764132 CJYOVLYDHJYTQK-ROUUACIJSA-N 298.430 3.780 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 608962603 PCQMSNQEMSJQQS-QLFBSQMISA-N 278.440 3.893 30 20 CHED COc1ccc(C2(N[C@@H](C)c3ccc(C#N)cc3)CC2)cc1 539624329 MYTWFKCCQZTHLO-AWEZNQCLSA-N 292.382 3.907 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCc3ccccc32)CC1 353887015 FXOANYZJZGPJCM-HNNXBMFYSA-N 255.361 3.537 30 20 CHED C[C@H](CCc1c[nH]c2ccccc12)NCC(C)(C)C#N 602616266 TWKWYHUQYLXKOB-CYBMUJFWSA-N 269.392 3.628 30 20 CHED C=CCC1(C(=O)NCCCN2CCCCCC2)CCCC1 449062325 LGMGNTCBMBAUHQ-UHFFFAOYSA-N 292.467 3.505 30 20 CHED N/C(=N/C[C@@H]1CCC[C@H]1C1CC1)Nc1cc(F)ccc1F 263132723 NGLRMRJGUJNPJE-AAEUAGOBSA-N 293.361 3.518 30 20 CHED N#CCn1c(-c2nc(CCC3CC3)no2)cc2ccccc21 612981264 LOPKGNVBRIIQQE-UHFFFAOYSA-N 292.342 3.557 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2sccc2C)n1 358454449 CKVLZNHDUZZPKT-UHFFFAOYSA-N 271.389 3.595 30 20 CHED C=CCOc1cccc(CN2CCc3ccc(O)cc3C2)c1 351960395 UGGREVQMUMELTR-UHFFFAOYSA-N 295.382 3.515 30 20 CHED C=C1CCN(C(=O)c2csc3c2CC[C@H](C)C3)CC1 354386980 MPMTVCRYOIODSK-LBPRGKRZSA-N 275.417 3.665 30 20 CHED CCc1csc(N[C@@H]2CCc3cc(C#N)ccc32)n1 618694563 SKKFHRDPIWJWPO-CQSZACIVSA-N 269.373 3.677 30 20 CHED CCN(CCC#N)C(=O)Nc1ccccc1C(C)C 266982662 UIKDILDGFGFYBP-UHFFFAOYSA-N 259.353 3.577 30 20 CHED CCCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 535072417 DBIBCDGDKIQIMY-UHFFFAOYSA-N 294.398 3.979 30 20 CHED C=CC(C)(C)CNC(=O)Cc1cccc(C)c1Cl 452775043 NJSQGUSGOJFMDU-UHFFFAOYSA-N 265.784 3.519 30 20 CHED Cc1cccc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)c1 539608595 TUSHGHFVYLJGIY-AWEZNQCLSA-N 282.362 3.899 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](CC)Nc2ccccc2)C1 617783924 JSMOQJPXBUUIPL-WBVHZDCISA-N 286.419 3.692 30 20 CHED Cc1cc(F)ccc1CN(CCC#N)CCC(C)C 353416536 NOAUBFOHPCEGSE-UHFFFAOYSA-N 262.372 3.896 30 20 CHED CC(C)[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612366436 QTOROJUBOTTYSF-FUHWJXTLSA-N 284.403 3.578 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)c1ccc(C)cc1)OCC 533721813 KIOSKNZKIPRHDL-DOTOQJQBSA-N 289.419 3.886 30 20 CHED CCC(C)(C)c1ccc(NC(=O)N(C)CCC#N)cc1 448123757 FQMWICXMBDPDBQ-UHFFFAOYSA-N 273.380 3.752 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2sccc2C)C1 617783114 UKZHSFAPCMVBRB-KFWWJZLASA-N 289.444 3.975 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1CCCN(c2ccccc2)C1 365505908 QZTQRYVBLBWUNF-KRWDZBQOSA-N 299.462 3.823 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 264257753 ZLSQIFISKHPIPE-HNNXBMFYSA-N 289.382 3.817 30 20 CHED C=CCC1(NC(=O)CCCn2cccc2)CCCCC1 456359172 BOKZSSAERFOAEZ-UHFFFAOYSA-N 274.408 3.664 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](C)OCC(C)C)c1ccccc1 532939897 OXGAUUVUWCCJIV-WBVHZDCISA-N 289.419 3.871 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1Cc1ccccc1C 455309060 KMFYAMRSXPQMNC-QGZVFWFLSA-N 286.419 3.678 30 20 CHED C=C(C)CCNC(=O)Cc1cc(Cl)ccc1Cl 452725668 SSAPCHXAOXPNEZ-UHFFFAOYSA-N 272.175 3.618 30 20 CHED CCC1(NC(=O)c2cccc(CC#N)c2)CCCCC1 456213906 IFAOFSLYXRWQKN-UHFFFAOYSA-N 270.376 3.595 30 20 CHED C=CCC1(NC(=O)c2ccc(Cl)cc2C)CCOCC1 618248541 LFVJHLNBRGWUDN-UHFFFAOYSA-N 293.794 3.504 30 20 CHED CCn1c(C(=O)NCC(C)(C)CCC#N)cc2ccccc21 360424398 KUYQTVFMZNJNCA-UHFFFAOYSA-N 297.402 3.721 30 20 CHED C[C@H](NCc1ccc(C#N)cc1Cl)c1cccc(C#N)c1 615229098 HPGJVBXNHFUKGM-LBPRGKRZSA-N 295.773 3.934 30 20 CHED N#CCCCCN[C@@H](CCc1ccccc1)C(F)F 272339971 MKJOCBBCLCKCGK-AWEZNQCLSA-N 266.335 3.536 30 20 CHED CCOc1ccccc1-c1noc(C2(C#N)CCCCC2)n1 273815919 ZVIRBDSJSPZBTH-UHFFFAOYSA-N 297.358 3.861 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2ncc(C)s2)CCCCC1 276629119 JAAIOHDPMQYNAM-CYBMUJFWSA-N 290.432 3.603 30 20 CHED C=CCC[C@H](NC[C@H]1CCOC2(CCC2)C1)C1CC1 453328192 WPSXEJVCJKXAND-HOCLYGCPSA-N 263.425 3.670 30 20 CHED CC(C)(NCC1(C#N)CCC1)c1cccc(Cl)c1F 450767678 VKTICBCFMKBSAF-UHFFFAOYSA-N 280.774 3.998 30 20 CHED C=CCCN(C)C(=O)Nc1cc(F)ccc1Cl 276096183 NISWAFNOQPKZEH-UHFFFAOYSA-N 256.708 3.519 30 20 CHED CC(C)CN1CCCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 540606666 MUVMZJGBIOZJPH-VQIMIIECSA-N 299.462 3.719 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C#N)cc1Cl 272548776 LXAHTGLPHOSMFO-ZJUUUORDSA-N 264.756 3.832 30 20 CHED C=CCN(C(=O)c1cnc([C@@H](C)OCC)s1)C(C)(C)C 622944187 IPNAGQQQVQMGQG-LLVKDONJSA-N 296.436 3.667 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1 455948801 CEFPCEWROGRUKB-IAQYHMDHSA-N 271.364 3.519 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1c1ccc(C#N)cn1 543993940 MGCRIPMELDZKPF-WMLDXEAASA-N 277.371 3.726 30 20 CHED C[C@H](c1nc2ccccc2s1)[C@@H](C)NCCCC#N 273209014 KFCUCSAJXZNZSX-NWDGAFQWSA-N 273.405 3.682 30 20 CHED C[C@@H]1CCC[C@@H](CNCC(C)(C)CCC#N)[C@@H]1C 360772895 OQGSJTOMCGMVSY-KFWWJZLASA-N 250.430 3.978 30 20 CHED N#Cc1ccc(NCc2cccc(-c3ncc[nH]3)c2)c(F)c1 361074826 REBWVGKGNWWHAZ-UHFFFAOYSA-N 292.317 3.700 30 20 CHED C=CCC1(CNC(=O)Cc2c[nH]c3ccccc23)CCCC1 456485169 KTRDJMKVZSNOKQ-UHFFFAOYSA-N 296.414 3.963 30 20 CHED CCc1ccc(NC(=O)NCC(C)(C)CC#N)cc1Cl 459580818 PKMLFCYWHNERFD-UHFFFAOYSA-N 293.798 3.964 30 20 CHED C#CC[C@H](NCc1ccc(OCC)cc1)c1ccccc1 270171317 HQTBBXYPVOXFRS-IBGZPJMESA-N 279.383 3.940 30 20 CHED Cc1cc(NC(=O)[C@H](C)CCC(C)(C)C)n(CCC#N)n1 543463248 TVLFRUBIWTVMAD-GFCCVEGCSA-N 290.411 3.506 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1ccccc1 270497417 YFEHFNXYSCDOSH-OKZBNKHCSA-N 296.414 3.725 30 20 CHED Cc1oc2ccc(NC(=O)C3(C#N)CC(C)C3)cc2c1C 547492187 ZSTJQSHMCUVRTH-UHFFFAOYSA-N 282.343 3.928 30 20 CHED COc1cc(C)ccc1NC(=O)[C@H](C)c1cccc(C#N)c1 461924120 TZQFUYQWEDSYHW-CYBMUJFWSA-N 294.354 3.618 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1ccc(C(C)C)cc1 464754252 FECCGAGZGGSVJU-ZDUSSCGKSA-N 260.381 3.526 30 20 CHED N#CC1(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)CC1 469445653 FJYTVLJURWFWID-UHFFFAOYSA-N 288.341 3.748 30 20 CHED C[C@@]1(NCc2ccc(C#N)s2)CCCc2ccccc21 543748001 BCNSWZVXELQKPI-QGZVFWFLSA-N 282.412 3.961 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1scc(C)c1C#N 288847505 PCBIJLZEHFNAJT-WCBMZHEXSA-N 250.367 3.549 30 20 CHED CC#CCCCc1nc([C@H](C)c2cccs2)no1 288962780 HGTFFYUFSVCVGK-LLVKDONJSA-N 260.362 3.629 30 20 CHED C#CCCCC(=O)Nc1c(F)ccc(C)c1Br 281220698 OHOTUXCIUGRFHV-UHFFFAOYSA-N 298.155 3.639 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(-c3ccccc3)[nH]n2)n1 551140068 MUYXPHJUGMMLKF-UHFFFAOYSA-N 294.358 3.980 30 20 CHED Cc1ccc(C#N)c(N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)n1 289174229 VIGZYDPXFQNICA-BETUJISGSA-N 297.324 3.819 30 20 CHED C=CCc1ccc(OC(=O)c2cc(C3CC3)no2)c(OC)c1 281482340 PIEVWOKMTBKVNZ-UHFFFAOYSA-N 299.326 3.508 30 20 CHED C=C1CC(C)(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 631626289 NKTAQMDPYVUSDA-RYUDHWBXSA-N 289.341 3.828 30 20 CHED N#Cc1ccc(NC(=O)c2ccc3c(c2)CCC=C3)cc1F 464642838 KEPSEGZWICLWBV-UHFFFAOYSA-N 292.313 3.909 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)C1CCC(C)CC1 466382915 MOKDXDHIHHIGBF-MOKVOYLWSA-N 252.402 3.561 30 20 CHED Cc1nsc(NCCc2csc(C(C)C)n2)c1C#N 287652602 CBZGUWHQOPWAJK-UHFFFAOYSA-N 292.433 3.558 30 20 CHED C#C[C@H](NCc1cc(C(F)(F)F)ccc1F)C(C)C 809685518 XZMZUYGAOJTQMS-ZDUSSCGKSA-N 273.273 3.592 30 20 CHED CSC1(C=NNc2nc3ccccc3cc2C)CC1 800815312 SWFSILSZTNIGHR-UHFFFAOYSA-N 271.389 3.837 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 298869949 JMESKZBZKOUIIK-STQMWFEESA-N 290.382 3.957 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(OC)c(Cl)c1 809943914 OGRBYOZWYCYYMQ-UHFFFAOYSA-N 299.757 3.511 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H]1CCC(C)C 472856896 SPDWXQGTCWCYQJ-HNNXBMFYSA-N 266.429 3.953 30 20 CHED C=CCCCN1CCC[C@H](OCc2ccccc2F)C1 470911197 QQDCFXLWHXJXKD-INIZCTEOSA-N 277.383 3.773 30 20 CHED CC/C(C)=C/C(=O)N(Cc1ccc(C#N)cc1)C(C)C 294824371 WOKWWCGHUMQJIT-GXDHUFHOSA-N 270.376 3.652 30 20 CHED C#C[C@H](N[C@@H](C)C[C@@H]1CCOC1)c1ccc(Cl)cc1F 809698367 CVVGMAJDJZPKIF-MKBNYLNASA-N 295.785 3.558 30 20 CHED C#CCCc1noc([C@@H]2C[C@H]2c2ccc(Cl)s2)n1 809397710 BTIFULXVRIDSRZ-RKDXNWHRSA-N 278.764 3.621 30 20 CHED C=CCN(CCC#N)C(=O)Cc1coc2cc(C)c(C)cc12 292461168 OVIZJSKLAGVVKX-UHFFFAOYSA-N 296.370 3.520 30 20 CHED C=C(Cl)CN(CCCC)Cc1ccccc1O 801595920 VIZRXTUOHQZWSM-UHFFFAOYSA-N 253.773 3.747 30 20 CHED Cc1nnc(SCc2ccc(Cl)s2)c(C#N)c1C 298302366 RORIXZLNOVNSNY-UHFFFAOYSA-N 295.820 3.972 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](CC)c1ccccc1OC 564492945 TYQLOCITWSVRCJ-UKRRQHHQSA-N 290.407 3.752 30 20 CHED Cc1c(NN=C[C@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] 800811912 NUHKOXHNKVBPGA-JQWIXIFHSA-N 261.325 3.737 30 20 CHED C=CCC[C@@H](O)CN1CCCC[C@H]1c1ccccc1 565153058 PHLKIUWFFMSLPV-SJORKVTESA-N 259.393 3.541 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 809776193 YJPSFRAOWWJZSR-CABZTGNLSA-N 299.201 3.871 30 20 CHED COc1cc(Cl)c(NCc2ccc(C#N)o2)cc1C 808449860 UENPNLDTKMTEKY-UHFFFAOYSA-N 276.723 3.734 30 20 CHED CCN(CCCC#N)Cc1cccc(Br)c1 299375077 LTTSOEIFCDVEPG-UHFFFAOYSA-N 281.197 3.575 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)CCC1CCCCC1 473700238 WCQUJAOOKVLSJP-QGZVFWFLSA-N 281.440 3.644 30 20 CHED C=CCCCCNC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 472841835 QECORSCDCHUSDI-NVXWUHKLSA-N 286.419 3.930 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(NC(=O)CCC)c1C 294410632 FGMVRJKRRFKZDG-UHFFFAOYSA-N 288.391 3.884 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](CC)c1ccc(F)cn1 803050554 JZULMIJSCHIPMW-OAHLLOKOSA-N 277.339 3.983 30 20 CHED CN(Cc1ccc(F)cc1F)c1nc(Cl)c(C#N)s1 804341027 UXKCPSVZZIXOKN-UHFFFAOYSA-N 299.733 3.583 30 20 CHED N#Cc1cccc(C2(NCCCOc3ccccc3)CC2)c1 560175246 PCFPAGJDFOEOSR-UHFFFAOYSA-N 292.382 3.606 30 20 CHED Cc1ccccc1C[C@@H](NCc1cccc(C#N)c1)C1CC1 567928447 XFUQXTGVPGLFAD-HXUWFJFHSA-N 290.410 3.978 30 20 CHED CC1(Cc2noc(COc3cccc(C#N)c3)n2)CCCC1 809535073 YMICYQNZVSWCBJ-UHFFFAOYSA-N 297.358 3.643 30 20 CHED C#Cc1ccc(CN[C@@H](C)[C@H](OC)c2ccc(F)cc2)cc1 809631953 KENSBSWBVMREQE-LIRRHRJNSA-N 297.373 3.673 30 20 CHED COc1ccc(CN2CC(C)(C)[C@H]3CCC[C@H]32)cc1C#N 393537326 AZTIBFSVSHUDAT-JKSUJKDBSA-N 284.403 3.577 30 20 CHED OC[C@@H](NN=C1CCCCC12CCCC2)c1ccccc1 814918831 BHZMHSVCYCESFS-MRXNPFEDSA-N 286.419 3.800 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cccc(F)c1C#N 811688984 VAJMHSZMRYCDSS-FPLPWBNLSA-N 295.313 3.911 30 20 CHED N#CCC1(OC(=O)c2csc3ccccc23)CCC1 810858075 KJJSMZUADRIGHK-UHFFFAOYSA-N 271.341 3.894 30 20 CHED CC#CCCCc1nc(CCC2CCCCC2)no1 567277343 WDTYIOUEYXWZEC-UHFFFAOYSA-N 260.381 3.929 30 20 CHED CC(=NOC1CCC1)c1ccc(Br)cc1F 812237368 WYCSQUKUOWHHQZ-UHFFFAOYSA-N 286.144 3.881 30 20 CHED C=C[C@H](CC(=O)OCC(=O)C(C)(C)CC)c1ccccc1 811164966 OOVYFBXFUROVGM-CQSZACIVSA-N 288.387 3.895 30 20 CHED C=C(C)[C@H](NC[C@H](O)CCC(C)C)c1ccc(F)c(F)c1 482860128 UHNKEOWPISEVNU-PBHICJAKSA-N 297.389 3.969 30 20 CHED C=CCn1cccc1-c1nc(-c2ccccc2C)no1 564212456 HQZHZXZUUBVQGQ-UHFFFAOYSA-N 265.316 3.700 30 20 CHED CCC(=NNc1cc(C)ccc1F)c1ccc(F)cn1 814872274 IUBSWNSSGXWLEC-UHFFFAOYSA-N 275.302 3.894 30 20 CHED Cc1ccccc1Nc1nc(CN2CC(C)(C#N)C2)cs1 576169575 LCUPHJUHNMLLGM-UHFFFAOYSA-N 298.415 3.541 30 20 CHED CCOC(=O)c1ccc(NN=C2CC[C@@H]2C2CC2)cc1C 814935047 LBWVUGGDRKHUSG-OAHLLOKOSA-N 286.375 3.760 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(Cl)cc1C#N 489437362 OFPWDCGQIVCEQH-HNNXBMFYSA-N 260.768 3.752 30 20 CHED CC(=NNc1ccnc(F)c1)c1nccc2ccccc12 811647431 MMZYZEPSZVZNOI-UHFFFAOYSA-N 280.306 3.605 30 20 CHED N#Cc1cccc(C#N)c1N1CC[C@@H](c2ccc(F)cc2)C1 480774446 AZPYCPLFEILHAX-MRXNPFEDSA-N 291.329 3.563 30 20 CHED C(=NNc1ccc2ccccc2n1)c1ccc2oncc2c1 814697292 HUKNRHRXCHVIPC-UHFFFAOYSA-N 288.310 3.822 30 20 CHED FC(F)(F)c1ccccc1NN=C[C@@H]1CCCOC1 814689350 ZMMKYPGPIMISFY-JTQLQIEISA-N 272.270 3.530 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](c1cccs1)C(CC)CC 812010455 JVZWDPCZHMZKDO-IUODEOHRSA-N 292.448 3.889 30 20 CHED COCC(=NOCCC1CC1)c1ccc(Cl)cc1 814941099 OHTGYBFXOJEPED-UHFFFAOYSA-N 267.756 3.507 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1ccc(C)nc1C 814917087 HLCAZBJZWUTLRI-MRXNPFEDSA-N 273.424 3.981 30 20 CHED N#Cc1ccnc(N2CCC[C@H](c3ccccc3)CC2)c1 573344110 KIEYEAFTIPEFAZ-KRWDZBQOSA-N 277.371 3.727 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Cl)ccc1O 485508684 WHUZGCVSHXFWSP-UHFFFAOYSA-N 253.729 3.586 30 20 CHED N#CCCCOC(=O)c1ccc(C2=CCCC2)cc1 810651694 PXLIOBYCNMHCPN-UHFFFAOYSA-N 255.317 3.714 30 20 CHED N#CCCCCNC(=O)N1CCC[C@@H]1CCC1CCCC1 487679092 RYSZZZQFDMGTAV-MRXNPFEDSA-N 291.439 3.825 30 20 CHED C#Cc1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 819401565 DRIWLUSTLREZTP-UHFFFAOYSA-N 286.334 3.711 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(OCC2CC2)cc1 489797363 RQDZKESURHDNDR-UHFFFAOYSA-N 287.403 3.808 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(C)nn1CCCCC 483487723 BCMHLXJYBCGBIF-UHFFFAOYSA-N 290.411 3.588 30 20 CHED Cc1cc(CN2CC[C@@H](OCCC(C)C)C2)ccc1C#N 488174457 WSUZUWKVHKQJMX-GOSISDBHSA-N 286.419 3.504 30 20 CHED Cc1ncccc1/C=C1/C(=O)c2c(O)ccc(F)c2[C@@H]1C 728785757 LVJUKQPDYKRQSH-YXYQAXARSA-N 283.302 3.618 30 20 CHED CCCCCCC[C@H](C)NCc1nc(C(C)C)n[nH]1 824603727 ZINOTLUTXNYDQF-ZDUSSCGKSA-N 266.433 3.767 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2ccc(C)cc2[nH]1 490003463 IRNCHLRXJQALRJ-UHFFFAOYSA-N 270.376 3.808 30 20 CHED C=CCCC(=O)N(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 726628382 AEXCKDOXEDFBRV-KKUMJFAQSA-N 261.409 3.770 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nc(C3CCCC3)no2)c1 571506682 XWIKWXYBQKIWQW-LSDHHAIUSA-N 279.343 3.870 30 20 CHED C=C(C)CNC(=O)Nc1ccc(CC)c(Cl)c1 490816300 UNTVVOXTWDNZIE-UHFFFAOYSA-N 252.745 3.600 30 20 CHED C=CCC[C@@H](C)N[C@H](CO)c1cccc(Cl)c1Cl 662049600 AHZOZJTZQWMFDK-ZWNOBZJWSA-N 288.218 3.971 30 20 CHED CO[C@H](C)CC/N=C\c1cc(Cl)cc(Cl)c1O 726429159 JYLDJQWCAZPCRT-YCAXJWCXSA-N 276.163 3.543 30 20 CHED Cc1ccc2c(c1)C/C(=C1/COc3ccc(F)cc31)C2=O 729148508 AUCOGXHLMBCGJN-FOCLMDBBSA-N 280.298 3.719 30 20 CHED Cc1ccc(-c2cnn(Cc3ccc(C#N)cc3F)c2)cc1 498644540 SHBZJEUZIMPWRB-UHFFFAOYSA-N 291.329 3.918 30 20 CHED Cc1ccc(NN=C(CC(C)C)c2cccs2)nn1 729937865 IJNBMOQMSIXPFT-UHFFFAOYSA-N 274.393 3.709 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C\c1cc(Br)ccc1O 729641859 ZWRUUQLCCDEDGY-GYWXPKIXSA-N 282.181 3.762 30 20 CHED C[C@H](c1ccccc1)N(C(=O)C#Cc1cccs1)C1CC1 825487786 YGNRPLSFVPHUEU-CQSZACIVSA-N 295.407 3.852 30 20 CHED CCCCC1CCC(C(=O)N(C)CC(C)(C)C#N)CC1 497319212 NNKYYOJQUHHDFM-UHFFFAOYSA-N 278.440 3.991 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc(SC(F)F)c1)C(C)C 821554306 WRXCVNMWPGVWKS-GFCCVEGCSA-N 298.358 3.781 30 20 CHED CCC(C)(C)C(=O)N(O)Cc1cccc2ccccc12 901371429 UIGZAHOBOLBNQJ-UHFFFAOYSA-N 271.360 3.994 30 20 CHED CC(C)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(F)(F)F 584023542 SAEJENNWOGFMHB-KGLIPLIRSA-N 282.309 3.722 30 20 CHED CCC(=NNc1cc(C)ncn1)c1ccc(CC)cc1 731935524 DGGGLTVIVKLQDC-UHFFFAOYSA-N 268.364 3.574 30 20 CHED C=CCC1(c2nc([C@@H](OCC)C(C)C)no2)CCC1 904123934 UMYXLUVNPWMJCB-LBPRGKRZSA-N 264.369 3.801 30 20 CHED Cc1ccc(C(=O)OCCC(C)(C)C#N)c2ncccc12 909542800 RWMIGMGLYGMGLT-UHFFFAOYSA-N 282.343 3.640 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)OCCCSCC#N)C1(C)C 838443165 XJHLAIPEGBMZQP-WFASDCNBSA-N 283.437 3.639 30 20 CHED O=C(C#CC1CC1)N[C@H](CC1CCCC1)c1ccccc1 837493934 SIRJCXMVWXKQJA-GOSISDBHSA-N 281.399 3.838 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839052618 HKEONRDQQZPTAD-OFQRWUPVSA-N 293.407 3.740 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(OC)cc(OC)c1 664471064 LUBDOGIGYMFPDP-UHFFFAOYSA-N 292.379 3.570 30 20 CHED C=CCC(F)(F)C(=O)N1CCCc2ccc(F)c(C)c21 839438317 JFONJYVMEUDAIH-UHFFFAOYSA-N 283.293 3.625 30 20 CHED C=C[C@@H]1CCCCN1CCCCN1CCCC[C@@H]1C=C 581107546 JSUBJMFIRWCPJT-HDICACEKSA-N 276.468 3.848 30 20 CHED C[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)C1CCC1 838389606 UCZHSFMYCRBNSK-NWDGAFQWSA-N 257.333 3.599 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 736400562 YJTPPHRLSRGODS-BYNSBNAKSA-N 296.842 3.739 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1cncs1 735792477 FOBBVNZXKUCQRI-FPLPWBNLSA-N 273.357 3.826 30 20 CHED CCCCCCCC[C@@H](N)c1nc([C@H]2CCCOC2)no1 904693812 BYBNQTXVBXTPPB-UONOGXRCSA-N 295.427 3.714 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2occ(C)c2c1 907492215 JCCUGGPTLOKICF-BBRMVZONSA-N 285.343 3.661 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C1CCC2(CC1)CC2 831894674 RIUQUHRIEJAABE-ZDUSSCGKSA-N 298.386 3.886 30 20 CHED Cc1ccc(NN=C2CC[C@H](CCC(C)C)C2)nn1 834955797 PERNAZVHGRXSSG-ZDUSSCGKSA-N 260.385 3.789 30 20 CHED C=CCN(CC1CCCCC1)CN1C[C@H](C(C)C)CC1=O 733296237 JZYRYXKNQJZVSN-QGZVFWFLSA-N 292.467 3.517 30 20 CHED Cc1oc2ccccc2c1CNC(=O)CCCCCC#N 588164419 PFMPWHZQWOQMGJ-UHFFFAOYSA-N 284.359 3.832 30 20 CHED C=CCC[C@@H](C)NC[C@@H]1CCCc2ccc(C(=O)O)cc21 901871403 COKIHPZQPNRHSJ-CJNGLKHVSA-N 287.403 3.749 30 20 CHED N#C[C@]1(C(=O)OC/C=C/c2ccccc2)CC12CCCC2 837908228 SPWQRPWKQHXJIX-YOCVDRLZSA-N 281.355 3.717 30 20 CHED C#CCN(C(=O)c1ccc(Cl)c2occc12)C(C)C 830154350 FIMPIYVWNAMBEV-UHFFFAOYSA-N 275.735 3.570 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C(\C)CC 832406220 VHWARLMVIMXWEX-OVCLIPMQSA-N 289.423 3.725 30 20 CHED N#Cc1ccc(-c2nc(C3CCC3)no2)cc1Cl 589090370 SWEXRVMAZFFCKN-UHFFFAOYSA-N 259.696 3.529 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc(CC)cc2)no1 904576972 SIUFGOOOHIVYLZ-UHFFFAOYSA-N 288.350 3.871 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1 732762231 CXPXVERGGUATEH-YGRLFVJLSA-N 285.303 3.757 30 20 CHED CCc1ccc(C=NN=c2cc[nH]c3ccccc23)s1 731153517 PZVGJGZSVUFLCE-UHFFFAOYSA-N 281.384 3.727 30 20 CHED Oc1ccccc1/C=N\Cc1csc(Br)c1 915114062 BHKYHDYFKKQQOS-AUWJEWJLSA-N 296.189 3.835 30 20 CHED C[C@@H](OC(=O)C1(C(F)(F)F)CCC1)c1cccc(C#N)c1 835131706 NSZCUORRPRLASN-SNVBAGLBSA-N 297.276 3.895 30 20 CHED Cc1cc(C)nc(NN=C(c2ccccc2C)C2CC2)n1 731922509 GKFXSVKFXUUKFY-UHFFFAOYSA-N 280.375 3.628 30 20 CHED Fc1cnc(NN=C2CCCC23CCCC3)c(F)c1 835024092 XYCAAOLBRBOVFI-UHFFFAOYSA-N 265.307 3.872 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cnc3ccc(F)cc3c2)C1 839050480 BMJVVBVZTFRKGI-ABAIWWIYSA-N 298.317 3.613 30 20 CHED C/C(=C\c1cccc(C(C)C)c1)c1nc(=O)c(C#N)c(C)[nH]1 596012229 RQFJEHHTQSMHOS-XYOKQWHBSA-N 293.370 3.634 30 20 CHED C=C(Cl)CN(C)Cc1ccc(OC(F)(F)F)cc1 913396120 KPPDSRXHJJWPRS-UHFFFAOYSA-N 279.689 3.770 30 20 CHED CC[C@H](CC#N)NCCCc1ccc(C(F)(F)F)cc1 594009026 YWFCSGFPZWLDDB-CQSZACIVSA-N 284.325 3.920 30 20 CHED Cc1cccc2[nH]c(CN3CCC[C@](C)(C#N)C3)cc12 597080887 VRDSXGDKDMSUOQ-QGZVFWFLSA-N 267.376 3.602 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 675157236 OANBOMZZIMGJMG-SJLPKXTDSA-N 269.388 3.601 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)c(C)o1 743476201 GWPGOMSZAYCZPL-GFCCVEGCSA-N 254.333 3.619 30 20 CHED C[C@H](C(=O)OCC1(C#N)CCC1)c1ccc(Cl)cc1 845332428 PQAYZNBAQAQJMH-NSHDSACASA-N 277.751 3.681 30 20 CHED CCC(C)=NNc1ncc(C(F)(F)F)cc1Cl 916286769 UPHHBBIGSICWRU-UHFFFAOYSA-N 265.666 3.952 30 20 CHED CC(C)c1ccc(CSc2cc(C#N)cnn2)cc1 596109847 LCPUZJCQGKBSSU-UHFFFAOYSA-N 269.373 3.764 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1ccc(Cl)cc1 916288271 SBZVNBVNVFLVQM-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CC(C)Cc1ccc(C(=O)N(C)CC(C)(C)C#N)cc1 590495193 XAWOBZRZAVYSOL-UHFFFAOYSA-N 272.392 3.507 30 20 CHED CC(C)c1ccc(C=NOCc2nnc(C3CC3)o2)cc1 742351288 TYPVGYYWDWLLDO-UHFFFAOYSA-N 285.347 3.621 30 20 CHED CC1(C)[C@@H](C(F)(F)F)CCN1CCc1ccc(C#N)cc1 595457070 WJWNDNLOGUZTAR-AWEZNQCLSA-N 296.336 3.764 30 20 CHED CC(C)C(CCc1ccccc1)=NNc1ncccn1 917545959 LWVKLYLQNDNAIS-UHFFFAOYSA-N 268.364 3.533 30 20 CHED Cc1ccc(NC(=O)NCc2ccc(C#N)cc2)c(Cl)c1 916409831 JZXQSLLJNXCUFJ-UHFFFAOYSA-N 299.761 3.842 30 20 CHED CC[C@H](NCc1ccc(OCC#N)cc1)[C@H]1CC1(C)C 840726883 NXEFZHDQPZQEHR-CVEARBPZSA-N 272.392 3.503 30 20 CHED Cc1c(N[C@H](C)C(C)C)cccc1C(=O)O[C@@H](C)C#N 741747502 JAYFIJQEYJZQRF-WCQYABFASA-N 274.364 3.520 30 20 CHED CCCCCCCCC/C=C\C(=O)NC1CCNCC1 843280744 JPZXCYBCOMJPRK-KHPPLWFESA-N 280.456 3.552 30 20 CHED COc1cc(C(C)=NNc2ccc(F)cc2F)ccc1O 916250978 UJQHEOLUIDMIQN-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C=C(C)CNC(=O)CSc1ccc2c3c(cccc13)CC2 681772232 BZPGIKZTTDADAW-UHFFFAOYSA-N 297.423 3.723 30 20 CHED CCC(=NNc1oc(C(C)(C)C)nc1C#N)[C@H]1C[C@H]1C 841621785 FVUSDSZHGUVFTM-ZJUUUORDSA-N 274.368 3.678 30 20 CHED C[C@]1(C=NNc2ccnc(F)c2)C[C@@H]1c1ccccc1 841634597 VCACSMHHMYTBSK-GDBMZVCRSA-N 269.323 3.812 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cn(C(C)C)nc1C)C2=O 840722455 HYYQHGUYJOWWLG-PXNMLYILSA-N 294.354 3.543 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 593424131 UMYHBTCQDYBNRM-CYBMUJFWSA-N 283.375 3.786 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2ccn(C)c2)cc1 749858716 MXPCBVUSALYHMH-AWEZNQCLSA-N 269.392 3.833 30 20 CHED C[C@@H]1CN(c2nc(C#N)c(Cl)s2)[C@H]1c1ccccc1 596144012 ZQWVPLLOMSQVFC-BXKDBHETSA-N 289.791 3.866 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](CC)c1ccc(Cl)s1 593471477 QISAWCBXCPJCRS-IUCAKERBSA-N 270.785 3.519 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(O)c(OC)c1 743449186 PPJPORLHXPXLHH-ZDUSSCGKSA-N 278.396 3.683 30 20 CHED C=CCC(C)(C)CNC(=O)c1snc(Cl)c1Cl 846221992 AJJSBZVXIVEZAY-UHFFFAOYSA-N 293.219 3.782 30 20 CHED C=C[C@@H](C)ONC(=O)c1ccc(C(F)(F)F)cc1Cl 846548696 LHVZOQSNWWLWPF-SSDOTTSWSA-N 293.672 3.595 30 20 CHED O=C(O)c1ccccc1NN=C[C@@H]1C[C@@H]1c1ccccc1 755601463 OMDBJJGUQPOWPG-DZGCQCFKSA-N 280.327 3.586 30 20 CHED Cc1cccc(C)c1/C=C1\Cc2c(O)cccc2C1=O 755584756 OBUSYQNHFMVPOG-UKTHLTGXSA-N 264.324 3.831 30 20 CHED CC(=NNc1ccc(C)cc1)c1cc(F)cc(F)c1O 757450651 IRVPIKMWSQGYKN-UHFFFAOYSA-N 276.286 3.815 30 20 CHED C=CCN(C/C=C\C(=O)OCC)Cc1ccc(Cl)s1 756087969 XGAUHVNZIUBKAG-WAYWQWQTSA-N 299.823 3.509 30 20 CHED C#CCCN[C@@H](C)c1cc2cccc(OCC)c2o1 920415719 DDSFDKIILRRBRT-LBPRGKRZSA-N 257.333 3.505 30 20 CHED CCCC[C@@](C)(F)C(=O)OC[C@H](C#N)Cc1ccccc1 850882306 OFZMQEQIYAKURZ-DOTOQJQBSA-N 291.366 3.830 30 20 CHED CCc1ccc(C(C)=NNc2cnc3ccccc3n2)o1 752166057 WYXIRXUHXHAOCX-UHFFFAOYSA-N 280.331 3.621 30 20 CHED Cc1ccnc(NN=Cc2c(F)cccc2Cl)c1 755902733 NDUSNDXCUCIFNR-UHFFFAOYSA-N 263.703 3.629 30 20 CHED Fc1cc(F)c2c(c1)C(=NNc1ccccc1F)CC2 752723337 JSUIMUMRSHHTKF-UHFFFAOYSA-N 276.261 3.866 30 20 CHED N#Cc1cc(COC(=O)CC(C2CCC2)C2CCC2)ccn1 859832406 KUINOLWOPSQOFD-UHFFFAOYSA-N 298.386 3.603 30 20 CHED C=CCN(CC=C)C(=O)/C(C)=C/c1ccccc1Cl 755380140 RQJCYEBAPPWLNY-OUKQBFOZSA-N 275.779 3.944 30 20 CHED COc1ccc(NN=Cc2ccc(F)c(C)c2)cc1 750945985 KQZYRWSACXBFHV-UHFFFAOYSA-N 258.296 3.589 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(F)cc(F)c2O)c1 757471463 CRAUVIGJCPWGAF-AATRIKPKSA-N 290.265 3.575 30 20 CHED CS[C@@H](C)CCOC(=O)CC1(C#N)CCCCC1 851059426 APYNXELOQOOSRQ-LBPRGKRZSA-N 269.410 3.535 30 20 CHED Cc1ccnc(NN=Cc2cccn2Cc2cccs2)c1 755770136 KVJAYHWFQNSHQE-UHFFFAOYSA-N 296.399 3.747 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)c1ccc(OC)cc1 758698000 LSGRKJADEUTNIK-UHFFFAOYSA-N 284.334 3.732 30 20 CHED Clc1c[nH]ccc1=NN=C1CCC[C@@H](C2CC2)C1 756842248 NJNSPHDVDHRTKV-LLVKDONJSA-N 263.772 3.525 30 20 CHED C=C1CCN(C(=O)Nc2c(F)cc(Cl)cc2F)CC1 930703696 DTKOWENLKDNZSI-UHFFFAOYSA-N 286.709 3.802 30 20 CHED C=C(Cl)CSC[C@H](OC)c1ccc(F)cc1 863399045 SMQOJRBVIFCERR-LBPRGKRZSA-N 260.761 3.999 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CCc2ccccc21 860197680 DULWEUNFXLLWLM-CQSZACIVSA-N 257.333 3.547 30 20 CHED C[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])Cc2ccccc21 767157143 YPKGKUZTVLYOEI-GFCCVEGCSA-N 293.326 3.590 30 20 CHED C#CCCCOC(=O)[C@@H](C)Oc1cccc2ccccc12 769379590 LQEHWINZHVTFKA-CQSZACIVSA-N 282.339 3.564 30 20 CHED C#CCCc1noc(CSc2ccccc2Cl)n1 762010370 KMYPZSKASQRUHH-UHFFFAOYSA-N 278.764 3.581 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1sccc1C#N 931843486 RFLMIUWTWABTBP-MDZLAQPJSA-N 289.404 3.805 30 20 CHED CC(COC(C)C)=NNc1nc2ccccc2[nH]c1=S 863124687 AADIGMXYNNJFDL-UHFFFAOYSA-N 290.392 3.505 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2CCCc3sccc32)c1 767339611 VSIOZESDZDUULX-FBJMNJBLSA-N 287.384 3.959 30 20 CHED C=CC[C@H](NCc1cc(C)oc1C)c1ccncc1 767370659 BEHVEXJQURNTFG-INIZCTEOSA-N 256.349 3.698 30 20 CHED C#CCCN(Cc1ccc(OCC=C)cc1)C(C)(C)C 760847415 LJXYWYPMZWIXML-UHFFFAOYSA-N 271.404 3.875 30 20 CHED Cc1cnc(C(=O)OCCCCC(C)(C)C#N)c(C)c1 768849845 XOTWIWIAJTWKHP-UHFFFAOYSA-N 274.364 3.575 30 20 CHED Cc1ccc(C=NNc2ccc(Cl)c(F)c2)cn1 764907792 CEOAWRJIFOFBJE-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C[C@H](CC#N)N(C)C(=O)C=C1CCC(C(C)(C)C)CC1 765416508 JAZRNAPNMOPGRQ-AFYYWNPRSA-N 276.424 3.910 30 20 CHED C#CCCCOC(=O)c1cn(CCCC#N)c2ccccc12 769548096 ZVCOOFBZFOUBJE-UHFFFAOYSA-N 294.354 3.515 30 20 CHED COc1cc(CNc2cccc(C#N)c2C)ccc1F 1118033656 OCYGWFHPQUMQTQ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCC[C@H](C(=O)Nc1n[nH]c(C)c1C)c1ccccc1 779040027 UTMYGMBPUPTERH-HNNXBMFYSA-N 283.375 3.715 30 20 CHED C[C@H](Cc1ccccc1Cl)N[C@@H]1CC[C@@H](C#N)C1 770003935 MVFOQGUSCYRFRO-YRGRVCCFSA-N 262.784 3.553 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1c(C)cccc1F 775747859 YTUKSNGVEBDPQL-ZDUSSCGKSA-N 278.371 3.678 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 878315955 YOEBHQCXPFHSDO-WCQYABFASA-N 261.365 3.622 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1CC)c1ccncc1 776150963 VNXVWURIRNZDGA-KBMXLJTQSA-N 287.407 3.529 30 20 CHED C=CCN(C(=O)C(F)(F)c1ccccc1C)C(C)C 1116417550 JXTBSUCECXZFCH-UHFFFAOYSA-N 267.319 3.510 30 20 CHED C=C(CC)COC(=O)c1cccc2ccc(C)nc12 773520238 AHTLRZTZGUJPAH-UHFFFAOYSA-N 255.317 3.666 30 20 CHED COc1cccc(NCc2ccc(Cl)cc2C#N)c1F 774306607 VTGBSLPFUBSYDS-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)[C@@H](C)C(=O)OCC#Cc1cccc(Cl)c1 773157730 BDYXRSDASQHNRB-GFCCVEGCSA-N 264.752 3.527 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(F)c(OC)c1 1116488252 PSPCTSUSKGHTOY-ALCCZGGFSA-N 285.318 3.688 30 20 CHED C=C[C@H](CC(=O)O[C@H](C)c1ncc(C)o1)c1ccccc1 771036580 QDIWUZIODYZYIL-ZIAGYGMSSA-N 285.343 3.947 30 20 CHED CCCCC[C@@H](C)CC(=O)[C@H](C#N)c1ncc(Cl)n1C 1123337810 UVVOCGKAENXESV-NEPJUHHUSA-N 295.814 3.856 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC(F)F)C1CCC1 884257692 CJZOIMDELYLJRE-NSHDSACASA-N 274.355 3.560 30 20 CHED Cc1noc(C(F)F)c1C(=O)O[C@H](C#N)C1CCCCC1 776391632 QBUWHDYGGYJEFC-SNVBAGLBSA-N 298.289 3.550 30 20 CHED CCCCCC[C@H](C)NC(=O)c1ccc(C=NOC)cc1 881790984 BRRQGLUMLHYKMV-AWEZNQCLSA-N 290.407 3.756 30 20 CHED CCCCCC[C@H]1CCCC1=NN[C@H](C)COC 777902282 QAZNTJBBRJVRGK-KGLIPLIRSA-N 254.418 3.737 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cncc(Br)c1C 888902114 HUCUSWCSJJZYBX-JTQLQIEISA-N 297.196 3.693 30 20 CHED N#Cc1ccc(SCCOCC2CC2)c(Cl)c1 185564500 AUYLTDUDYZMSIP-UHFFFAOYSA-N 267.781 3.730 30 20 CHED CC1(C)CCC(=NNc2ncnc3ccsc23)C1 783855267 FRQAERRGAKTPAK-UHFFFAOYSA-N 260.366 3.669 30 20 CHED C=CCN(C(=O)Cc1cccc(Cl)c1Cl)C(C)C 789931501 CGICEJDYZXTIBL-UHFFFAOYSA-N 286.202 3.959 30 20 CHED C#CC[C@H](C)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 1122723032 KVNDYLBYNFCUTB-OLZOCXBDSA-N 269.344 3.617 30 20 CHED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3F)cc2)c1 1125979319 HOWLXHOUAIIXIW-HOTGVXAUSA-N 296.301 3.647 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1cccc(C(=O)O)c1 783772087 JOUBCHOQBPCTKW-DGCLKSJQSA-N 260.337 3.609 30 20 CHED CCCC1(C(=O)OCc2ccc(C#N)cc2Cl)CC1 784232173 RAFFJGWTAIBUGQ-UHFFFAOYSA-N 277.751 3.835 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)c1ccc(Cl)cc1 1121160792 JUMZBNRVNOIMPG-RISCZKNCSA-N 278.783 3.594 30 20 CHED N#CCCCCOC(=O)c1c[nH]cc1-c1ccccc1F 787199948 QGQRJUMYVAUEGA-UHFFFAOYSA-N 286.306 3.671 30 20 CHED O=c1[nH]ccc2cc(NN=Cc3ccc(Cl)cc3)ccc12 789073842 RQPSFEXTMISTIM-UHFFFAOYSA-N 297.745 3.628 30 20 CHED N#CCCCCCC(=O)OC/C=C/c1cccc(F)c1 893548663 VIERRHLGRJLUQI-SOFGYWHQSA-N 275.323 3.856 30 20 CHED CCn1cc(/C=C2\CCc3ccc(C(C)C)cc3C2=O)nn1 899364759 HRDZTHFTNWUPHH-OQLLNIDSSA-N 295.386 3.634 30 20 CHED CSC1(c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)CC1 896777389 GJLXRWHLNRCCQL-QWHCGFSZSA-N 297.383 3.564 30 20 CHED CC[C@H](CC(C)C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 410767853 OAEPTYLWNDZPKJ-KGLIPLIRSA-N 264.413 3.599 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC2CCC1CC2 410726188 SQCMBBKXJQKOMV-YMAMQOFZSA-N 276.424 3.744 30 20 CHED C=C1CC(c2noc(-c3cc(Cl)nc(Cl)c3)n2)C1 896881049 BBUZBYWLOFKWSL-UHFFFAOYSA-N 282.130 3.872 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)c1ccsc1 165285662 VRXKXZHRGNOBQT-GFCCVEGCSA-N 256.374 3.779 30 20 CHED C=CC(C)(C)CNCc1cnc(CC(F)(F)F)s1 894715043 PNVSZGNGZINVLS-UHFFFAOYSA-N 278.343 3.550 30 20 CHED Fc1cccc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)n1 795009957 QMNKXUUICBYZCP-NWDGAFQWSA-N 261.344 3.979 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(-c2cnco2)cc1 898062140 KBUFAEAHTCBNJB-QGZVFWFLSA-N 284.359 3.560 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC2=CCCCC2)c1 730180952 LYYBLFQXAKRXOX-UHFFFAOYSA-N 267.372 3.911 30 20 CHED N#Cc1csc(C(=O)O[C@@H]2C=CCCCCC2)c1 793399920 VKCNHAQFHNVUOX-GFCCVEGCSA-N 261.346 3.665 30 20 CHED Cc1ccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1C#N 799338723 ZKOUWFATEALLDS-JKIFEVAISA-N 282.387 3.660 30 20 CHED CSc1ccc([C@H](C)/N=C\c2cccc(O)c2O)cc1 798343403 GDIWLRHYQQNHHG-MTUBTWAWSA-N 287.384 4.000 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1C=CCCC1 189914217 XSEYXBYYGPLYTO-AWEZNQCLSA-N 262.397 3.664 30 20 CHED C=C(Br)COc1ccc(Cl)cc1[N+](=O)[O-] 59928726 YZXDBRRNYFKOCK-UHFFFAOYSA-N 292.516 3.536 30 20 CHED N#Cc1c(F)cccc1NCCSc1ccccc1 61173882 BITVVWAFZKXSIE-UHFFFAOYSA-N 272.348 3.902 30 20 CHED CC1(C)CCC(NCc2cccc(OCC#N)c2)CC1 79676425 QZKWBJSYDWVNCJ-UHFFFAOYSA-N 272.392 3.647 30 20 CHED COCCCON=Cc1ccc(-c2cccc(F)c2)s1 795051089 MRPYCFHJSJQERP-UHFFFAOYSA-N 293.363 3.941 30 20 CHED C#CCC1(C(=O)NC[C@H]2CC[C@H](C)C2)CCCCC1 794264368 UNZHCDHMLDDVJK-GJZGRUSLSA-N 261.409 3.513 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(OC3CCC3)c(F)c2)C1 799725202 WCWDQCQUYDNYOA-RYUDHWBXSA-N 274.339 3.861 30 20 CHED CC(/C=C\C(=O)c1ccnc(O)c1)=C/c1ccccc1 791433134 QBUJHJBULZQGDZ-BRTMPNNMSA-N 265.312 3.630 30 20 CHED C=CCN(C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)C(C)C 798112687 JHAZSCHRYCHYDV-LSDHHAIUSA-N 292.810 3.802 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Oc1ccc(C#N)cc1 796506112 INVVZUZXIRZDFC-UKRRQHHQSA-N 257.333 3.680 30 20 CHED COC(=O)c1occc1/C=C/C(=O)c1ccc(C)cc1C 797109987 SCGZNKNZZQYKBC-FNORWQNLSA-N 284.311 3.579 30 20 CHED COc1ccccc1CON=C(C)c1cc(C)ccc1O 799119431 MEWZZLDSBPUTHR-UHFFFAOYSA-N 285.343 3.650 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cscc2C)c1 749375804 OIMIWEXAJBJQDI-UHFFFAOYSA-N 269.369 3.705 30 20 CHED C=CCCOCCN[C@H](C)c1ccccc1OC(F)F 90883536 IQAWZNTXUIKXCA-GFCCVEGCSA-N 285.334 3.531 30 20 CHED C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)C1CCC1 1153624952 XHXUZVGAVAWDKK-QMMMGPOBSA-N 297.185 3.783 30 20 CHED CN(c1ccc(C#N)cn1)[C@H]1CCC[C@@H]1c1ccccc1 1307138991 KJQYTSJVDXTHBY-SJORKVTESA-N 277.371 3.726 30 20 CHED COc1ccc(NC(=O)Nc2cscc2C)cc1C#N 1311120135 JJEKDRJFJZUBNZ-UHFFFAOYSA-N 287.344 3.581 30 20 CHED CC[C@H](C)Oc1cc(Sc2cccc(C#N)c2)nc(C)n1 1162726066 WDOABKUSZQFZQC-NSHDSACASA-N 299.399 3.985 30 20 CHED CC(C)(C)ON=Cc1cnc(C2CCCC2)s1 1320326283 ZASZJXMGSURVLA-UHFFFAOYSA-N 252.383 3.950 30 20 CHED CCN(CCC#N)C(=O)c1ccc(-c2cccs2)s1 1323699463 XQSCJDRPRORKCF-UHFFFAOYSA-N 290.413 3.852 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(OCC#N)cc1 1320304239 VUUNEUDJTPPADA-GFCCVEGCSA-N 274.364 3.600 30 20 CHED C=CCOCCCC(=O)NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1323315980 XPTZCCATDLIXGC-IKGGRYGDSA-N 295.467 3.794 30 20 CHED CC(C)[C@H]1CCC[C@@H](Nc2cccc(CC#N)n2)C1 1320490594 NFSDOZFLPLPPRW-DZGCQCFKSA-N 257.381 3.774 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)c1ccc(F)cc1F 1322190165 ROUIVSXEHNMFHF-YPMHNXCESA-N 279.330 3.635 30 20 CHED N#CC1(CN[C@H]2CCCc3c2[nH]c2ccccc32)CCC1 1334812675 HPHCAABRZKODIN-INIZCTEOSA-N 279.387 3.829 30 20 CHED C/C(=C/C(=O)O[C@H](CC#N)c1ccco1)C(C)(C)C 1346706167 HHQFMDBYUFWGAV-BSYHEUMXSA-N 261.321 3.770 30 20 CHED Cc1ccc(NC(=O)CC#Cc2ccccc2)cc1F 1340356155 CNMAACJZPIJXEB-UHFFFAOYSA-N 267.303 3.514 30 20 CHED COc1ncccc1CN(CC(C)C)c1ccc(C#N)cc1 1191839449 QJFFKBDIXGYIBN-UHFFFAOYSA-N 295.386 3.624 30 20 CHED CC(C)Oc1cccc(NC(=O)c2sccc2C#N)c1 1273388731 BSLROFSLACTOTI-UHFFFAOYSA-N 286.356 3.659 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 1356481955 VUPUUTQFXJXLJI-GXTWGEPZSA-N 287.407 3.880 30 20 CHED C#Cc1ccc(CNc2ccc(Cl)nc2C)cc1 809657123 VMELDHVGCNPECE-UHFFFAOYSA-N 256.736 3.637 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(C#N)cc1F 1521748798 WBGCSWDKZGIMRP-OCCSQVGLSA-N 288.366 3.644 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1csc(C#N)c1 1521032662 SPGFMDBVBFAZIK-JTQLQIEISA-N 287.340 3.546 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)cc2Cl)ccc1F 225781224 URVOMMWLXLANQN-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CSc1ccc(OCc2cccc(C(=O)O)c2C#N)cc1 1607409785 INOZRDSJRQOOKZ-UHFFFAOYSA-N 299.351 3.557 30 20 CHED CC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)s1 1533952789 HYNJOXOJBDBYPM-CYBMUJFWSA-N 296.395 3.991 30 20 CHED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)c2)C[C@H](c2ccccc2)C1 1472804953 SGBLKXNEYHJSFJ-YXJHDRRASA-N 291.398 3.759 30 20 CHED C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC1(CC#N)CC1 1559589604 DPAACJYHTHRJQF-NVXWUHKLSA-N 268.404 3.633 30 20 CHED Cc1ccc(Cn2cc(C#N)c3ccccc3c2=O)cc1C 1559442625 OMZUPWYEQBQPAP-UHFFFAOYSA-N 288.350 3.538 30 20 CHED N#Cc1c(F)cccc1SCCc1nc2ccccc2[nH]1 1641163169 WGVKWQUUWGDAME-UHFFFAOYSA-N 297.358 3.908 30 20 CHED CC(C)Cc1ccc(CN(C2CC2)[C@H](C)C#N)cc1 1659340195 IOVTWQUJKNVWAH-CQSZACIVSA-N 256.393 3.762 30 20 CHED CC(=O)[C@@H](Cc1ccccc1)Sc1ccc(C#N)cc1 1656231574 FUMHXQIBPAFKBZ-QGZVFWFLSA-N 281.380 3.851 30 20 CHED Cc1cc(N2CC[C@H](C)[C@H]3CCCC[C@H]32)ncc1C#N 1650801558 RMKXFYZNQJIKHN-APHBMKBZSA-N 269.392 3.667 30 20 CHED C=CCCC[C@@H](NC1CC(C(=O)O)C1)c1ccccc1 1588458092 KBICGKNHRMKURJ-UYSNPLJNSA-N 273.376 3.537 30 20 CHED C[C@H]1CC[C@@H](CNc2ncc(C#N)cc2Br)C1 1651033100 QZTLXMAYKRGCMX-VHSXEESVSA-N 294.196 3.564 30 20 CHED Cc1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)cc1 1776114231 JKKWHQGYNHTNTQ-DAXSKMNVSA-N 272.325 3.651 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 232304322 BKAFJMVXGUYQQN-VIFPVBQESA-N 298.173 3.761 30 20 CHED C=CCC[C@@H](NCc1ccc2ccccc2c1C)C(=O)O 1776167126 ZCAQYKFEKWFOMP-QGZVFWFLSA-N 283.371 3.657 30 20 CHED Cc1c(NN=C[C@@H](C)Cc2ccccc2)cccc1C(=O)O 1776087613 MDTYOACXACSFPH-ZDUSSCGKSA-N 296.370 3.970 30 20 CHED C=C(C)CCCN1CC2(CC2)c2ccccc2[C@H]1C(=O)O 1776138817 UUMSAMQPCPORLM-INIZCTEOSA-N 285.387 3.516 30 20 CHED C=CCc1cc(CN2CCCC[C@@H]2C)cc(OC)c1O 158930033 CNHHFFBNWUOBFH-ZDUSSCGKSA-N 275.392 3.504 30 20 CHED N#Cc1ccc(SCCOCC(F)(F)F)c(Cl)c1 163335413 ZWXSOJYAVWFCOL-UHFFFAOYSA-N 295.713 3.883 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](C)[C@H](CN)C1 163709236 FGOOZANNEGWMOG-JKSUJKDBSA-N 282.472 3.570 30 20 CHED CCCCCCCC(=O)N[C@@H](C)Cc1ccc(O)cc1 152621764 HPKGNAYHSLLNCI-AWEZNQCLSA-N 277.408 3.800 30 20 CHED N#CCC[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1 153122504 YKCVNJAYAIBJHW-MRXNPFEDSA-N 282.318 3.601 30 20 CHED CC(C)OC(=O)CCC/N=C/c1c(O)ccc2ccccc12 154221807 LSTASQAIZHBKGN-XDHOZWIPSA-N 299.370 3.696 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc2cc[nH]c2c1 156811254 PTCUROSXRWPVBG-UHFFFAOYSA-N 270.376 3.986 30 20 CHED O=C1/C(=C/C=C\c2ccccc2)Oc2cc(O)ccc21 6111060 ZSYCWSICLOFYGZ-DWFRYJRFSA-N 264.280 3.565 30 20 CHED CC(C)(CCC#N)CNCC(C)(C)c1ccccc1 135146545 LZNXDILWWLVAFE-UHFFFAOYSA-N 258.409 3.884 30 20 CHED CC(C)n1ccc(COc2cc(Cl)ccc2C#N)n1 161653447 WDBQPWZNTALQHI-UHFFFAOYSA-N 275.739 3.568 30 20 CHED N#Cc1ccc(Cn2cnc3ccccc32)c(Cl)c1 162943711 JGVHGMKJBLKKED-UHFFFAOYSA-N 267.719 3.610 30 20 CHED Cc1nc(N2CC[C@H](CC(C)C)C2)c(Cl)cc1C#N 307785491 YLRUWLQXWBUICV-GFCCVEGCSA-N 277.799 3.788 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC2CCCCC2)c1 308195454 MHXRYZIBFDNNHP-UHFFFAOYSA-N 256.349 3.776 30 20 CHED Cc1cc(C#N)ccc1CN[C@@]1(C)CCCC[C@H]1C 308709377 LMJKUHLSTWFOHD-PBHICJAKSA-N 256.393 3.925 30 20 CHED C[C@H]1CC(C)(C)C[C@@H]1NCc1ccc(C#N)c(F)c1 404862950 XOWDOWYBJWFRPF-NHYWBVRUSA-N 260.356 3.612 30 20 CHED C=CCN(Cc1ccccc1)Cc1sccc1OC 508533244 YAHQPNGRZJTPAG-UHFFFAOYSA-N 273.401 3.945 30 20 CHED N#CCc1ccc(NC(=O)N2CCCCCCC2)cc1 76085324 LSXSFLSPTWFVAA-UHFFFAOYSA-N 271.364 3.551 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 513631295 ZCQSXSGIGRPIRQ-UKJIMTQDSA-N 275.783 3.843 30 20 CHED CC(C)(C#N)NC(=O)c1sc2cc(F)ccc2c1Cl 77024891 MDDKMYOVFFOICF-UHFFFAOYSA-N 296.754 3.726 30 20 CHED Cc1cccc(C(=O)N2CCC(CCC#N)CC2)c1Cl 335385418 ZWVKETYXYGNBHY-UHFFFAOYSA-N 290.794 3.804 30 20 CHED C=CCCc1csc(CN(C)C(=O)OC(C)(C)C)n1 90065595 GBPFNRCOMZNLNU-UHFFFAOYSA-N 282.409 3.629 30 20 CHED CN(Cc1cccc(C#N)c1F)[C@H]1CCC(C)(C)C1 361470441 SNWJOEDSVLOIMG-AWEZNQCLSA-N 260.356 3.708 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCNCC1(C)C 379935679 AQBPHAKGHKNHPX-OAHLLOKOSA-N 282.472 3.631 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(OC(F)F)cc1 395333509 SQNANZAMTNPKLW-LLVKDONJSA-N 255.308 3.905 30 20 CHED CC(C)(C)c1cnc(C=NOCc2ccccc2)s1 814792556 VCFJDIWOTWSBSG-UHFFFAOYSA-N 274.389 3.991 30 20 CHED N#Cc1cnc(Nc2cnn(C3CCCC3)c2)c(Cl)c1 895885267 BGPAUGZSAOYEDP-UHFFFAOYSA-N 287.754 3.662 30 20 CHED C=C(C)CN(Cc1ccccc1)Cn1ncsc1=S 794651441 UCBZEPSDTFDZQP-UHFFFAOYSA-N 291.445 3.710 30 20 CHED CCc1cccnc1C(C)=NOCc1ccccc1 779767302 FLLQKSNDITZCLC-UHFFFAOYSA-N 254.333 3.585 30 20 CHED Cc1nc(NCCC2CC(F)(F)C2)c(Cl)cc1C#N 413333265 JBKPZMCRCRWMDL-UHFFFAOYSA-N 285.725 3.762 30 20 CHED CN(Cc1cccc2ccccc12)c1ncccc1C#N 52427159 PVTMDHXJJSRHJI-UHFFFAOYSA-N 273.339 3.743 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1 27539724 BBVNBTBGPPVBOV-HXUWFJFHSA-N 299.377 3.832 30 20 CHED COc1ccc2c(c1)N(CCCC(C)(C)C#N)C[C@@H](C)O2 174877225 ZQFXHFUVPZVXAH-CYBMUJFWSA-N 288.391 3.612 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)c(C)n1)c1ccccc1 172180008 NDKPEBPNVMOLCJ-INIZCTEOSA-N 280.327 3.570 30 20 CHED Cc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1[N+](=O)[O-] 176411477 BQTCBGCMXINMJC-MLPAPPSSSA-N 297.285 3.865 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H](C)c2ccc(C#N)cc2)n1 118175030 DAKSKHVEEDTBIK-LLVKDONJSA-N 294.383 3.690 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(F)cc2C)CC1 111709810 HRDRNQGZACKFJJ-UHFFFAOYSA-N 262.328 3.564 30 20 CHED CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 173788861 IOMSDKRDKZZXQL-UHFFFAOYSA-N 284.746 3.765 30 20 CHED N#CC1(NC(=O)c2cc3sc4ccccc4c3s2)CC1 172355050 CDZZWHISFSRNII-UHFFFAOYSA-N 298.392 3.902 30 20 CHED CCc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)c(OC)c1 301846454 ASODFRZFAPHYIR-UHFFFAOYSA-N 298.298 3.830 30 20 CHED C=CCCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 117871016 YGSFBRSMVSQDOQ-OAHLLOKOSA-N 273.376 3.561 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(C)cc1 302166835 AGEZWPBTQUBXPP-CQSZACIVSA-N 277.433 3.900 30 20 CHED N#Cc1ccc(NCc2nc(C3CCCCC3)no2)cc1 113712156 OSUAENIMDROJOX-UHFFFAOYSA-N 282.347 3.601 30 20 CHED N#C[C@H](C(=O)c1cc2ccccc2s1)c1cccc(F)n1 1342641479 MQAOFXBDHDUKEY-NSHDSACASA-N 296.326 3.925 30 20 CHED CCN(CC#N)C(=O)c1ccc(C2CCCCC2)cc1 67687825 USVXAPPNEATOFA-UHFFFAOYSA-N 270.376 3.720 30 20 CHED Cl/C=C/CON=Cc1ccc(Br)s1 308200264 XORWDRGOARHGNO-GWKRRABKSA-N 280.574 3.614 30 20 CHED C=CCCCCOC(=O)[C@H](C)OC1CCCCC1 1344531484 FRYRDOKNBMGIJL-ZDUSSCGKSA-N 254.370 3.624 30 20 CHED C#CCCCCC(=O)NC[C@@H](c1ccccc1)C(C)C 119591684 MCLMLEPITLGJEJ-QGZVFWFLSA-N 271.404 3.736 30 20 CHED Cc1nc(Oc2ccc(Cl)cc2F)ccc1C#N 311191264 FSWYJTBVFDHETH-UHFFFAOYSA-N 262.671 3.847 30 20 CHED Cc1ccc(N/C(N)=N/CCC2=CCCCC2)cc1C 303718899 VLHJKEZDYNOGQL-UHFFFAOYSA-N 271.408 3.921 30 20 CHED C#CCCCCC(=O)Nc1ccc(Br)cc1F 179624315 MDBYHYYCHUHPHB-UHFFFAOYSA-N 298.155 3.720 30 20 CHED CO[C@@H](CNc1ccc(Cl)cc1C#N)C(C)(C)C 301415372 FCWZOCUQBCPOOR-ZDUSSCGKSA-N 266.772 3.685 30 20 CHED C=CCCC(=O)N1CCCc2c(Cl)ccc(F)c21 67171836 RNAODUODFKRYRS-UHFFFAOYSA-N 267.731 3.725 30 20 CHED CC[C@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 128834836 DAHNJTYGYPTJRL-HOTGVXAUSA-N 286.419 3.990 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](CC)CC1CCCCC1 183796888 BGAKMUFWPGUHAY-CABCVRRESA-N 264.413 3.791 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)c1ccc(OC)cc1 120228566 YCVVQBCFVHBIKM-GOSISDBHSA-N 298.361 3.947 30 20 CHED Cc1cc(C#N)ccc1COc1ccc2c(c1)CCC2=O 188053320 DDCHSPLCJQFLPE-UHFFFAOYSA-N 277.323 3.575 30 20 CHED CC#CCCCc1nc(-c2ccccc2Cl)no1 184870560 LIBPOKXISRFMLP-UHFFFAOYSA-N 260.724 3.736 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCSCc2ccccc2F)C1 185752827 WUTUAJMLYSUEES-UKRRQHHQSA-N 292.423 3.731 30 20 CHED C[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H](C)S1 70387379 CBRYIDBAMHMIEE-AOOOYVTPSA-N 266.797 3.542 30 20 CHED CC[C@H](N[C@H]1C[C@H](OC)C12CCC2)c1ccc(C#N)cc1 414186058 OVZCUETUHYONRN-ULQDDVLXSA-N 284.403 3.557 30 20 CHED Cc1cncc(CNc2cc(C#N)ccc2C(F)(F)F)c1 185643525 MSSJZWRIKPEXGX-UHFFFAOYSA-N 291.276 3.893 30 20 CHED O=C(/C=C\c1ccccc1F)c1cccc([N+](=O)[O-])c1 215040907 HCIHGBQVFALYSG-HJWRWDBZSA-N 271.247 3.630 30 20 CHED C=CCOCCCC(=O)N1CCCC[C@H]1CCC(C)C 128333784 OYTWNHCICHYCPV-INIZCTEOSA-N 281.440 3.787 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NCCCSCC#N 72515879 FSGBOAIHIDLILG-UONOGXRCSA-N 268.470 3.828 30 20 CHED CC#CCCCC(=O)Nc1ccccc1OC(C)(C)C 185810697 SYEMPRUWNDXKTF-UHFFFAOYSA-N 273.376 3.996 30 20 CHED Cc1cccc(C(=O)N(CCC#N)c2ccc(F)cc2)c1 72678600 OKNWBWYXQNYHGE-UHFFFAOYSA-N 282.318 3.695 30 20 CHED C#CCCCCC(=O)N(CC)C12CC3CC(CC(C3)C1)C2 120133477 DIIZRHGHLRSYRO-UHFFFAOYSA-N 287.447 3.997 30 20 CHED C=CC[C@H](C)N[C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 184169069 UIKXOFJILFLQBZ-STQMWFEESA-N 284.403 3.588 30 20 CHED CC1(C)CC(N[C@H]2CCCc3cc(C#N)ccc32)C1 417365282 LYAAQFYWBKNBSK-INIZCTEOSA-N 254.377 3.714 30 20 CHED C#CC(C)(C)NC(=O)Nc1cc(Cl)ccc1Cl 70118941 LCCISZORFWNAIH-UHFFFAOYSA-N 271.147 3.527 30 20 CHED C=CCSCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1CC 509206989 GHAAMVJOPWVWHB-UONOGXRCSA-N 284.469 3.516 30 20 CHED N#Cc1ccc(C(=O)NC2CCC3(CCCCC3)CC2)o1 505329600 DSKBMVKKIQVNJL-UHFFFAOYSA-N 286.375 3.774 30 20 CHED CCCc1ccc(CNCc2cccc(C#N)c2)cc1 608982259 JBGDVHAZEBKFRA-UHFFFAOYSA-N 264.372 3.801 30 20 CHED C[C@H]1CC[C@H](C)N1Cc1ccccc1C(C)(C)C#N 135286243 SCCBVPHIVGTICV-KBPBESRZSA-N 256.393 3.861 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1ccn(C)c1CC 412838751 KLKOXZNFSRQGRQ-MRXNPFEDSA-N 296.414 3.505 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc(C#N)s2)c1 134504272 KEBPRDPNSDVMLD-SOFGYWHQSA-N 283.352 3.915 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ccccn1 414291694 BMTNRJRWLWOTFH-WBVHZDCISA-N 266.388 3.920 30 20 CHED N#Cc1ccccc1OCCSCCc1ccccc1 504410520 GBWSEOCVNWESMX-UHFFFAOYSA-N 283.396 3.913 30 20 CHED C=CCSCCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 508561451 RABSZSNOTSQEAE-QLFBSQMISA-N 281.465 3.628 30 20 CHED CC(C)[C@H](C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 505540656 QOPYVDRQGCLXRW-JOYOIKCWSA-N 299.201 3.966 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 410989986 VLYKQMXIAKVEPW-NXEZZACHSA-N 276.405 3.900 30 20 CHED CCOc1ccc(NCc2ccc(OC)c(C#N)c2)cc1 87822266 OOWLVLBPUCBNDM-UHFFFAOYSA-N 282.343 3.578 30 20 CHED N#CCCN(Cc1ccccn1)Cc1cscc1Cl 611268661 IFYAWANEHOAHHC-UHFFFAOYSA-N 291.807 3.712 30 20 CHED CC1(C)CCC[C@@H]1C/N=C(/O)c1ncoc1C1CC1 329343742 TXSAJELNQQLATA-LLVKDONJSA-N 262.353 3.683 30 20 CHED Cc1cc(C#N)ccc1CSCC[C@@H]1CCCO1 190154096 HWBKQNYMGKPFCO-HNNXBMFYSA-N 261.390 3.669 30 20 CHED CN(CCCOc1cccc(C#N)c1)Cc1cccc(F)c1 195577855 IZUHUZYQPOKJEH-UHFFFAOYSA-N 298.361 3.598 30 20 CHED C=C(C)[C@@H](N[C@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1 195121045 YVHVAIYHVWJOLG-XFBWCDHKSA-N 281.346 3.597 30 20 CHED CC(C)CN(CC#N)Cc1cccc(C(F)(F)F)c1 528611120 UWMCUJJOJMVVJR-UHFFFAOYSA-N 270.298 3.687 30 20 CHED CCCCCCCC(=O)Nc1cc(C(C)C)n[nH]1 134397367 WPQTWFQKFZFZMU-UHFFFAOYSA-N 251.374 3.832 30 20 CHED CC[C@@H](c1ccc(F)cc1F)N(CC)CCC#N 81040654 KETNAHWPGADZGU-AWEZNQCLSA-N 252.308 3.651 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@H]1CCc2ccccc21 424854768 SDBHWURYQJCPDT-OAHLLOKOSA-N 271.404 3.825 30 20 CHED CCC(C)(C)C1CCC(NC(=O)N(C)C[C@H](C)C#N)CC1 43863175 HFICYFQXBJMPBZ-WLYUNCDWSA-N 293.455 3.782 30 20 CHED CC[C@H](C#N)Sc1ccc(Br)cc1 43557640 MPUYIOATRKYXCU-SECBINFHSA-N 256.168 3.843 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(-c2ccc(F)cc2)on1 131950279 IEDQYWORMJJQPM-UHFFFAOYSA-N 288.322 3.519 30 20 CHED O=C1/C(=C\c2csnn2)Cc2cc(Cl)cc(Cl)c21 132342971 ZKORGNFQCWHCTB-CLTKARDFSA-N 297.166 3.667 30 20 CHED C=CC[C@@H](C)N[C@H]1CCSc2ccc(OC)cc21 191532414 RHXHZBPWLRXBCV-RISCZKNCSA-N 263.406 3.786 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cccc(C#N)c1 47338253 YVTCHZCQSLWVGO-LBPRGKRZSA-N 297.333 3.922 30 20 CHED C=CCN(Cc1ccccc1F)Cc1cccc2c[nH]nc12 511527159 UMKOHQGXRQRDEC-UHFFFAOYSA-N 295.361 3.890 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(CC#N)cc1Cl 425600364 CEQDUUBKNQGTLN-UHFFFAOYSA-N 276.767 3.947 30 20 CHED C[C@H](CC#N)NC(=O)c1ccc(-c2ccc(F)cc2)s1 194717450 PQGCPUFSRXFESV-SNVBAGLBSA-N 288.347 3.586 30 20 CHED Cc1nccc(CC/C(O)=N/C23CC4CC(CC(C4)C2)C3)n1 330362470 ZOFYWNBGLVQRMO-UHFFFAOYSA-N 299.418 3.643 30 20 CHED CCC(CC)NC(=O)c1sc2ccc(C#N)cc2c1C 429913246 DLGQRRYAMHVBCG-UHFFFAOYSA-N 286.400 4.000 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2nc(C)ccc2c1 337092099 MADCJJSTXVHAAJ-OAHLLOKOSA-N 268.360 3.628 30 20 CHED C[C@]1(CNc2ncccc2C#N)C[C@H]1c1ccccc1 338737922 FOVSHPFTFFUAQN-DOTOQJQBSA-N 263.344 3.559 30 20 CHED C[C@H](N[C@@H]1CCOc2c(F)cccc21)c1ccc(C#N)cc1 336447008 OFASKYVZUKUVDD-YVEFUNNKSA-N 296.345 3.872 30 20 CHED N#CC1(N(C(=O)c2cccc(F)c2Cl)C2CC2)CCC1 335857781 XPFQOOADDWZOAY-UHFFFAOYSA-N 292.741 3.530 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C#N)c(Cl)c2)C1 1352586069 HOCDDNQSAJKQIO-ZWNOBZJWSA-N 277.751 3.947 30 20 CHED CC[C@H](/N=C(/O)c1occc1C(C)C)[C@@H]1CCCO1 330479059 LQBNAIXCTPGRBI-STQMWFEESA-N 265.353 3.665 30 20 CHED Cc1ccc(C#N)c(Oc2c(F)c(F)cc(F)c2F)n1 336619545 XPAOOMSHCYZSSX-UHFFFAOYSA-N 282.196 3.610 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCc2ccccc2OC1 510949755 XEOGMTOONSAWGU-DZKIICNBSA-N 259.393 3.571 30 20 CHED C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccncc1F 335911328 AQORKYOPEMTRGL-SECBINFHSA-N 275.714 3.919 30 20 CHED Cc1cccc([C@@H](C)C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 434034257 CDMZSKQQFKQOJM-ZBFHGGJFSA-N 284.403 3.639 30 20 CHED CCC1CCC(CNC(=O)NCc2cccc(C#N)c2)CC1 519974474 BURKJCXHXGUZQA-UHFFFAOYSA-N 299.418 3.574 30 20 CHED C[C@@H]1c2ccccc2CN1c1c(C#N)cccc1C#N 436347426 SIDMWWPMFUHXAQ-GFCCVEGCSA-N 259.312 3.511 30 20 CHED CCOc1ccccc1N=C(O)NC1(C)CCCC1 330432112 JWXKMZYOPPRBPA-UHFFFAOYSA-N 262.353 3.553 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2cc(Cl)ccn2)cc1 335875479 QINXCYJEGUGWGD-UHFFFAOYSA-N 299.761 3.788 30 20 CHED CCC(CC)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438632904 DYYXOXMURYJIHA-UHFFFAOYSA-N 299.296 3.887 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CC[C@H](CC)O1)c1ccccc1 435282151 UIRHYMNUILOZMH-ULQDDVLXSA-N 287.403 3.768 30 20 CHED Cc1ccccc1CNc1nc(Cl)c(C#N)s1 235774545 UBZCALQBPZUSJB-UHFFFAOYSA-N 263.753 3.589 30 20 CHED COc1cc(C#N)ccc1CN1CCCc2ccccc2C1 347221624 CVPWLUBPFLDRFO-UHFFFAOYSA-N 292.382 3.515 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 248004161 OWOMTUQPEMJZOY-DZKIICNBSA-N 255.361 3.642 30 20 CHED CCN(CCC#N)Cc1ccc(OCCC(C)C)cc1 349856606 XIUKZPMVQXKCJE-UHFFFAOYSA-N 274.408 3.847 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)[C@H](C#N)c2nc3ccccc3o2)C1 247737491 VRDYGTRXFSDEKN-UPJWGTAASA-N 282.343 3.830 30 20 CHED Cc1ccc(C#N)c(NCC2(c3ccc(F)cc3F)CC2)n1 346648326 CUHGKTWWRRTTFH-UHFFFAOYSA-N 299.324 3.684 30 20 CHED CC(C)C1CCC(NC(=O)c2ccccc2CC#N)CC1 601327733 ZLZHFFIHTZTVGR-UHFFFAOYSA-N 284.403 3.697 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H]2C2CCCCC2)s1 540802784 LBRRSWQSOOPGEY-GJZGRUSLSA-N 260.406 3.678 30 20 CHED Cc1cccc([C@@H](C)CNc2nc3c(cc2C#N)CCC3)c1 524945986 JAEWJPWOIGAWEF-AWEZNQCLSA-N 291.398 3.966 30 20 CHED C=CC[C@@H](C)Nc1nccc(Oc2ccccc2)n1 432836363 TWYFILZILJGLRH-GFCCVEGCSA-N 255.321 3.645 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(Oc2ccccn2)cc1 341952779 TZZKGFKMEWCFPS-UHFFFAOYSA-N 297.358 3.914 30 20 CHED CCO[C@@H]1C[C@H](Nc2cc(C#N)cc(C)n2)C12CCCCC2 342366184 WKMRIQKLQGPKGZ-JKSUJKDBSA-N 299.418 3.802 30 20 CHED N#CCC[C@H](C#N)COc1ccc(C2CCC2)cc1 342443852 WABBFAXFJGPKMY-CYBMUJFWSA-N 254.333 3.776 30 20 CHED C[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 341423028 LILRVUBUAHOITF-PVAVHDDUSA-N 282.387 3.750 30 20 CHED C=CC[C@H](CO)CN[C@H](CC(C)C)c1ccccc1C 341870775 BKPAOPPNNAPTLT-FUHWJXTLSA-N 275.436 3.856 30 20 CHED COc1ccc(/C=C\C(=O)c2ccsc2)cc1[N+](=O)[O-] 255325360 ONYUWVSPRPUXGA-RQOWECAXSA-N 289.312 3.561 30 20 CHED CCN(CCCc1ccncc1)[C@H](C)c1ccc(C#N)cc1 347302902 QBPYHVPHIZARAN-MRXNPFEDSA-N 293.414 3.969 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC1CC(c2ccccc2)C1 602564779 NRJXAOVBNRMIDO-FAEJEUNOSA-N 298.430 3.621 30 20 CHED N#Cc1ccc(N2CCCO[C@H](c3ccccc3)C2)cc1 609232740 HSJGFTYMMOHXIO-SFHVURJKSA-N 278.355 3.526 30 20 CHED CC(C)(C#N)c1ccc(Nc2ncnc3[nH]ccc23)cc1 608885346 WWIDYEVPCVVYOI-UHFFFAOYSA-N 277.331 3.503 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C)c(OCC(F)F)c1 448870391 BWCUFNLJVNAHNZ-UHFFFAOYSA-N 283.318 3.790 30 20 CHED C=C(C)COCCN[C@H](c1ccc(C)o1)C1CCC1 349533853 HELNVSAJLIIWKY-INIZCTEOSA-N 263.381 3.612 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(NC(C)=O)cc1OC 343503882 MAYSSFZRDRRTRS-TZMCWYRMSA-N 290.407 3.659 30 20 CHED C=CC[C@H]1N(Cc2cncc(C)c2)CCCC1(C)C 444777216 RJRYRGYIULDDEK-MRXNPFEDSA-N 258.409 3.957 30 20 CHED C=C(C)COc1cccc(NC(=O)N2C[C@H](C)C[C@@H]2C)c1 607205026 OCSVSFUDRCIBOX-KGLIPLIRSA-N 288.391 3.904 30 20 CHED C=CCCCC[C@H](C)N[C@@H](c1nccn1C)C1CC1 449323341 ULTXXOKUZQYXAI-DZGCQCFKSA-N 261.413 3.596 30 20 CHED N#CC1(Cc2cn([C@@H]3C=CCCC3)nn2)CCCCC1 603199020 IMMCXRIXISGNKT-OAHLLOKOSA-N 270.380 3.576 30 20 CHED CC1(C)CCC(CN2CCC(F)(C#N)CC2)CC1 352484065 LCZCCUAMZJDEMG-UHFFFAOYSA-N 252.377 3.530 30 20 CHED CC[C@H](NCc1ccc(C#N)c(C)c1)c1ccncc1 443998748 RKCRXRANFNWBRE-KRWDZBQOSA-N 265.360 3.503 30 20 CHED COc1cc(NC(=O)c2cccc(F)c2C#N)c(C)cc1C 358366809 PYYIBGKLRABTMB-UHFFFAOYSA-N 298.317 3.575 30 20 CHED Cc1cc(-c2noc(/C=C/c3ccc(C#N)cc3)n2)c(C)o1 445863423 WYZDBOGRCMEVTN-BQYQJAHWSA-N 291.310 3.989 30 20 CHED Cc1cc(C#N)cc(N[C@@H](C)c2cc(C)ccn2)c1 449761509 YEOIFGUKIZRSKL-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED N#CC1(F)CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 352484333 NUGLVKJGFBRLNB-CQSZACIVSA-N 278.758 3.655 30 20 CHED CCCc1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)ccn1 354973642 OUFJNQFNYVPMMF-UHFFFAOYSA-N 299.761 3.811 30 20 CHED C=C(CC)CSCC(=O)NC1(c2ccccc2)CCC1 537993982 WSHNCNCMFSVZIP-UHFFFAOYSA-N 289.444 3.881 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@@H](C)C1 444135436 YZQVYFGQYKBHLX-UKRRQHHQSA-N 290.382 3.712 30 20 CHED N#Cc1csc(-c2nc(-c3cc(F)cc(F)c3)no2)c1 355874891 UHKPZCWGLRVLQF-UHFFFAOYSA-N 289.266 3.615 30 20 CHED C=CCC1(NC(=O)CCCC[C@@H](C)CC)CCOCC1 618249315 OSBIJAYARLDFJA-HNNXBMFYSA-N 281.440 3.834 30 20 CHED C=CCN(Cc1ccc(OCC)c(OCC)c1)C1CC1 357553888 PLWONYVQEIQKSF-UHFFFAOYSA-N 275.392 3.634 30 20 CHED CC1(C)CCCN(Cc2cn3ccccc3c2C#N)CC1 357810424 SAQDPKRYBRNCPD-UHFFFAOYSA-N 281.403 3.823 30 20 CHED C=CCCCC[C@H](C)NC[C@H](c1ccco1)N(C)C 449065405 UFMIQWCBEJEGNF-LSDHHAIUSA-N 264.413 3.607 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 351614609 HZRDSUFPYRAEEW-QRTARXTBSA-N 289.419 3.695 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OC)cc2C)CC1 355529491 AKLNRIZWJFIRMJ-UHFFFAOYSA-N 259.349 3.689 30 20 CHED C=CCOc1cccnc1-c1nc([C@@H]2CCC[C@H](C)C2)no1 356190996 JMXXIUMHHKNBOR-QWHCGFSZSA-N 299.374 3.990 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ncccc1Oc1ccccc1 440903595 MLHDHJVLOFUCCN-CQSZACIVSA-N 296.370 3.958 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc3c(cnn3C(F)F)c2)C1 618573764 BQCBMYLAKVQODT-CMPLNLGQSA-N 290.317 3.926 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)[C@@H](C)c1cccs1 350730182 QGCWLDMYKRJZPP-NSHDSACASA-N 288.420 3.600 30 20 CHED C=CCC1(C(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)CCC1 619201551 FRJKJOKLORPIJF-JKSUJKDBSA-N 291.435 3.541 30 20 CHED CC[C@@H](C)CN(C)C(=O)Nc1ccc(CC#N)cc1Cl 455700745 IXNSXGATJPPYDR-LLVKDONJSA-N 293.798 3.916 30 20 CHED CC(C)C[C@@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 457996857 UGNBJDDRRAZWON-MRXNPFEDSA-N 286.419 3.872 30 20 CHED C=CCCNC(=O)c1cnn(CC(C)C)c1-c1ccccc1 617617795 UPYHUADKTOJVSJ-UHFFFAOYSA-N 297.402 3.512 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2ccccn2)C1 365709271 JBLCPZVVJMULNL-HHXXYDBFSA-N 291.398 3.843 30 20 CHED C=CCCc1noc(/C=C\c2cc(C)ccc2OC)n1 453249438 TWBAOQCJPHWCGA-NTMALXAHSA-N 270.332 3.676 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1sc(CC)nc1C 453306929 KMORCBDRCQEORE-JTQLQIEISA-N 252.427 3.877 30 20 CHED C=CCCC1(C(=O)NC2CCC(CSC)CC2)CC1 452484323 UNTYASYMZPDOCC-UHFFFAOYSA-N 281.465 3.771 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C 455326642 ORILFZDDUUXMMJ-NVXWUHKLSA-N 286.419 3.930 30 20 CHED C=CCC[C@H](N[C@@H](C)Cc1cnccn1)c1ccccc1 453180437 VSSJPDUUXSPKRF-YJBOKZPZSA-N 281.403 3.705 30 20 CHED C=C(CC)CNC(=O)c1c(-c2ccccc2C)noc1C 456813169 POCWYNGCMFJOMK-UHFFFAOYSA-N 284.359 3.654 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC(C)(C)C#N 278373016 PQBZGRQKKNJDTO-UHFFFAOYSA-N 262.397 3.521 30 20 CHED C=CCCN1CCC(O)(c2ccccc2C(F)(F)F)CC1 278769204 NBUQYZQFJUIKSR-UHFFFAOYSA-N 299.336 3.565 30 20 CHED C=C(CNC(=O)c1cncc2ccccc12)c1ccccc1 360211498 DNQMZTATGSCOQW-UHFFFAOYSA-N 288.350 3.678 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CC1=CCCCC1 618733483 LEBNJFNEARVIRH-QGZVFWFLSA-N 280.371 3.552 30 20 CHED N#Cc1c(Cl)cccc1NCCOc1ccccc1F 610294845 YWONFCYAHUUHRK-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=C(C)CCNC(=O)N1CCCn2c(cc3ccccc32)C1 455328228 RGLKQBJMSQMVAW-UHFFFAOYSA-N 297.402 3.523 30 20 CHED C=C(CC)CNC(=O)c1cc(F)c(C(F)(F)F)cc1F 456813885 RZNGOYINHQPOSQ-UHFFFAOYSA-N 293.235 3.680 30 20 CHED Cc1ccc2c(c1)CN(Cc1cc(C#N)ccc1F)C2 361599545 DJFNEVZHCNNARJ-UHFFFAOYSA-N 266.319 3.522 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1cccc(C#N)c1 546868413 LMFNDGIZNFBCBA-AWEZNQCLSA-N 278.355 3.666 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)n2C)n1 453184703 JTHSOGKWLAMABB-DGCLKSJQSA-N 284.363 3.631 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 277013144 LSZYKJROBVFMAF-NSHDSACASA-N 283.293 3.686 30 20 CHED Cc1cccc(CN(C)C(=O)c2ccc(C#N)c(Cl)c2)c1 548278807 MNIHNLBZHQJBSA-UHFFFAOYSA-N 298.773 3.792 30 20 CHED COC1CCC(CCN[C@H](C)c2cccc(C#N)c2)CC1 542704264 CLYCXVWTNJGUEI-KSTDHSDQSA-N 286.419 3.804 30 20 CHED Cc1ccc(-c2ncc(CNCCCC#N)s2)cc1 273005140 AVBSPQKZUAIHBL-UHFFFAOYSA-N 271.389 3.512 30 20 CHED CCC[C@H](C(=O)N(CCC#N)Cc1ccco1)C(C)C 270662596 NEFKWGGGIDUCKB-HNNXBMFYSA-N 276.380 3.594 30 20 CHED C=CCSc1ccccc1C(=O)NCc1ccsc1 362401883 KFFOHPTVCMKMCO-UHFFFAOYSA-N 289.425 3.956 30 20 CHED CCC1(CNC(=O)Cc2ccc(C#N)cc2)CCCCC1 545840004 HQGUEGWHAYGXOF-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CCC[C@H](CC)NCCSCc1ccccc1C#N 540593700 JQUKJAYPIMBVDU-INIZCTEOSA-N 276.449 3.960 30 20 CHED C=C[C@H](CC(=O)Nc1cccc2c1OCO2)c1ccccc1 541111362 PFJWRUIUCASUEI-CYBMUJFWSA-N 295.338 3.714 30 20 CHED N#Cc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 374307367 CRGSZZDVDUJBGR-UHFFFAOYSA-N 299.377 3.719 30 20 CHED COc1cc(-c2noc(-c3ccc(C#N)cc3)n2)ccc1C 546990445 KVSYIJJLZGOLNM-UHFFFAOYSA-N 291.310 3.592 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)c1ccccc1F 281542612 ZLGGXZSCUCXZHU-STQMWFEESA-N 278.371 3.883 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H]3C)c2c1 463060667 AFTISNZWDMIQKU-ZDUSSCGKSA-N 265.360 3.712 30 20 CHED C=C[C@@H](C)NC(=O)c1sc(-c2ccc(F)cc2)nc1C 465118075 IKRPINCZZYGAJH-SECBINFHSA-N 290.363 3.562 30 20 CHED C=C(C)COc1cc(CN[C@H](C)CCC)ccc1OC 622266297 CWNKZXXDINMRDE-CQSZACIVSA-N 277.408 3.928 30 20 CHED CC(C)(C#N)CCCCN1CCOC[C@@H]1c1ccccc1 375405751 QTACNBRYJMOLJP-QGZVFWFLSA-N 286.419 3.780 30 20 CHED N#CC1(CNC(=O)Nc2cccc(-c3ccccc3)c2)CC1 554488854 ULIHEQLSVGWTBB-UHFFFAOYSA-N 291.354 3.779 30 20 CHED C=CCN(C(=O)c1cc2ccccc2o1)C(C)(C)C 622943203 SFGKPBSKTRRTOR-UHFFFAOYSA-N 257.333 3.860 30 20 CHED C=CCOc1ccc(CNC(=O)c2occc2C(C)C)cc1 285776123 CFXQCINHTIZJTJ-UHFFFAOYSA-N 299.370 3.898 30 20 CHED C[C@@H](C#N)CNC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 555990445 GVRMFHSRWUJOLR-GXTWGEPZSA-N 285.391 3.506 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCCCc2ccccc21 460475248 JIFYXBUNLNVDQH-HNNXBMFYSA-N 287.403 3.727 30 20 CHED CCc1nn(C)cc1N[C@H]1CCCCc2cc(C#N)ccc21 467415051 CLMNBVRPHLAVOP-KRWDZBQOSA-N 294.402 3.734 30 20 CHED C=CCN(CCC#N)C(=O)C(C)(C)CCCc1ccccc1 552756601 MDCXHYZZTZQFKK-UHFFFAOYSA-N 298.430 3.964 30 20 CHED COc1ccc(C)c2c1N(Cc1cccc(C#N)c1)CCC2 551407403 LIPQYPZFJXVPIU-UHFFFAOYSA-N 292.382 3.828 30 20 CHED C=C(C)CCc1noc([C@H](C)Oc2ccc(C#N)cc2)n1 285211030 UATSPWWFULNTCE-LBPRGKRZSA-N 283.331 3.590 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 465115234 XULXQARBWBVXDU-SNVBAGLBSA-N 285.368 3.612 30 20 CHED C=C(C)Cn1c(-c2ccccc2F)nnc1N(CC)CC 460768390 LDIGILUCLCXIOX-UHFFFAOYSA-N 288.370 3.507 30 20 CHED C=C(C)CCc1noc(Cc2c[nH]c3cccc(OC)c23)n1 285073916 JFGQCLXKXBNAAT-UHFFFAOYSA-N 297.358 3.659 30 20 CHED CCc1ccc(NCCCC2(C#N)CCOCC2)cc1 281242129 PSMRMUIXIVETDQ-UHFFFAOYSA-N 272.392 3.761 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2oc(C(C)C)nc2c1 552005132 PVPDQYJYHQBWCI-MRXNPFEDSA-N 285.347 3.830 30 20 CHED C=CCCN(C)[C@@H](COC)c1ccc(Cl)cc1 558826899 OEKRJVJYWHTIJQ-AWEZNQCLSA-N 253.773 3.535 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(C#N)s1 281016030 PAUQFQRVRJTIOJ-GQCTYLIASA-N 285.372 3.602 30 20 CHED C=CCCO[C@@H](C)C(=O)N1C[C@@H](C(C)C)c2ccccc21 470415645 QSZNMQAWSZYEBD-HOCLYGCPSA-N 287.403 3.754 30 20 CHED N#Cc1cccc(C2(NC[C@@H]3C[C@H]4CC[C@H]3C4)CC2)c1 551230260 SGVYJCMYQBZQFJ-BPUTZDHNSA-N 266.388 3.573 30 20 CHED CC1(C)CC(C(=O)OCc2ccccc2C(C)(C)C#N)C1 803756701 UWCUEGYDPSOKIF-UHFFFAOYSA-N 285.387 3.967 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(F)c([C@@H](C)O)c1 809715718 GCWFGAQAJXRQFY-SDDRHHMPSA-N 251.345 3.892 30 20 CHED C[C@H]1CC(=NNc2ccnc(F)c2)c2ccccc21 807982590 GKSRHMDQVYZTIB-JTQLQIEISA-N 255.296 3.544 30 20 CHED C=CCC[C@H](NCc1cc(C)cc(Cl)n1)C1CC1 800493749 AJBPKSHLJAABFM-AWEZNQCLSA-N 264.800 3.878 30 20 CHED C[C@@]12CCN(c3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl 804706021 PHDOMDMKYQEIQM-QWHCGFSZSA-N 281.186 3.578 30 20 CHED CC(C)c1ccc(CSc2cc(C#N)ncn2)cc1 562421636 GUUDFISRSUOQIY-UHFFFAOYSA-N 269.373 3.764 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)[C@@]1(C#N)CC12CCCC2 294287322 UWPRFZVADJSVHN-KXBFYZLASA-N 296.414 3.598 30 20 CHED N#Cc1cc(NC(=O)CC2CCCC2)nc2ccccc12 564124673 GOMWGJGZQQGYEH-UHFFFAOYSA-N 279.343 3.625 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@@H](C)CCCC 561379731 NHJJMWVJLAVIAP-JJXSEGSLSA-N 253.430 3.772 30 20 CHED C[C@@H](C#N)OCCN1CCC[C@@H]1CCC1CCCCC1 801928897 ANSSHMCVHYHUHD-DOTOQJQBSA-N 278.440 3.740 30 20 CHED N#CCCN(CCC#N)C(=O)c1ccc(C2CCCC2)cc1 290787586 SPNPGFMHZCDIJA-UHFFFAOYSA-N 295.386 3.614 30 20 CHED C=CCN(c1nnc(C2CCCC2)n1C(C)C)C1CC1 568190530 KWGWNYDWMFHBJH-UHFFFAOYSA-N 274.412 3.671 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(C(F)(F)F)cc1 489985756 BUTWUWDBLULUKK-UHFFFAOYSA-N 299.336 3.966 30 20 CHED C#CCON=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 812233417 QREIEZWYRVDEAT-GFCCVEGCSA-N 281.277 3.979 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC[C@H]2C2CC2)c(Cl)c1 814833086 WYLGWZHALMCRQW-JTQLQIEISA-N 279.727 3.836 30 20 CHED N#Cc1cccnc1/C=C/C=C/c1ccc(F)cc1F 485986255 QSYJEVJIVXRFLK-NKZTZDQQSA-N 268.266 3.958 30 20 CHED CC(C)(C)C1CCC(COc2cnc(C#N)nc2)CC1 488747617 AHFGKGCUGWYURU-UHFFFAOYSA-N 273.380 3.580 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1 488814577 JRJABJKAERDVJD-INIZCTEOSA-N 257.377 3.991 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CC)c1ccc(C)cc1 814772752 YXNKKDZKLPFODE-ZDUSSCGKSA-N 267.319 3.774 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C#N)s1 487560022 MMQCXDIYKAWWHM-DGCLKSJQSA-N 276.405 3.661 30 20 CHED N#CCCCCCC(=O)Nc1ccc2c(c1)CCCC2=O 650546912 BAVKDZVSPKJIQB-UHFFFAOYSA-N 284.359 3.618 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2cn[nH]c2)c1 815886133 MYLFZXYPZMDIOE-UHFFFAOYSA-N 269.348 3.618 30 20 CHED COc1ccc(F)cc1/C=C1\Cc2ccc(F)cc2C1=O 812243315 IYIHYXAWORQVFM-KPKJPENVSA-N 286.277 3.796 30 20 CHED CC(=NNc1ncncc1Cl)c1cccc(C2CC2)c1 814909032 GVHGCWZMRLNJHZ-UHFFFAOYSA-N 286.766 3.844 30 20 CHED C=CCCCS(=O)(=O)N(CC)[C@H](CC)c1ccccc1 489282990 VBTLCCYHHSLINX-MRXNPFEDSA-N 295.448 3.756 30 20 CHED N#Cc1ccc(NCCc2cccc(F)c2F)c(F)c1 488243602 YQLUZIKSVVGLQG-UHFFFAOYSA-N 276.261 3.630 30 20 CHED C=CCCCCC[C@H](C)NC1CCC(N(C)C)CC1 817414342 WYLPCBZAVLOCIG-GTPINHCMSA-N 266.473 3.974 30 20 CHED COCc1ccccc1/C=C(/C)C=NNc1ccccn1 814215590 QKJLCVVLUVXEQA-QUVZVDGRSA-N 281.359 3.729 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc(CCC)cc2)CC1 482645481 YKOJQQMXCSQHSQ-INIZCTEOSA-N 286.463 3.940 30 20 CHED CC1(C)CN(Cc2cccc(F)c2C#N)[C@@H]2CCC[C@@H]21 578456454 FSKKJNLARWFLNX-GOEBONIOSA-N 272.367 3.708 30 20 CHED C=CCCCCSc1nc(O)cc(C(F)F)n1 571732514 BECISQYRNQUFHM-UHFFFAOYSA-N 260.309 3.568 30 20 CHED C=CCCCCOC(=O)C1(c2ccccc2)CCOCC1 811013071 ISZJXJPJOFSXSW-UHFFFAOYSA-N 288.387 3.634 30 20 CHED C(=NNc1ccccc1)C1=Cc2ccccc2OC1 812370761 FSHXFAWRLIXVCF-UHFFFAOYSA-N 250.301 3.560 30 20 CHED C=C(C)CN(CC)C(=O)NCc1c(F)cccc1Cl 481795932 VRMNFTAOBTUMLL-UHFFFAOYSA-N 284.762 3.587 30 20 CHED Cc1nsc(C)c1C(=O)Nc1sc(C)c(C)c1C#N 577989308 JFAFCJMHFWABTQ-UHFFFAOYSA-N 291.401 3.562 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)OCc1ccc(F)cc1C#N 728624846 LSOCKMKOMMFQNP-QWHCGFSZSA-N 289.350 3.957 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCCCOC(C)C 657969833 FXJRVDFWEBVMTJ-CVEARBPZSA-N 253.430 3.916 30 20 CHED CCCCCCCCC(=O)N[C@@H](C#N)CC(C)C 726559362 DZWKSOGUOOWFRH-CQSZACIVSA-N 252.402 3.791 30 20 CHED Cc1cc(C(=O)NCC2(C#N)CC2)c(C)n1C1CCCCC1 578830146 FHKMGUPITSDUGV-UHFFFAOYSA-N 299.418 3.644 30 20 CHED CC(CCC(C)C)=NNc1cnc2ccccc2n1 727258889 VXTUHMZMIWSBHU-UHFFFAOYSA-N 256.353 3.854 30 20 CHED CC(C)(CC#N)CSc1nnc(C2CC2)n1C1CC1 575330845 GVHXNTUSKQTQMW-UHFFFAOYSA-N 276.409 3.522 30 20 CHED C#CCCOc1ccc(C(=O)N(CCC)CC(C)C)cc1 822437832 OSSZKIVROHCNPA-UHFFFAOYSA-N 287.403 3.597 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1C 491092409 BSEOTJHVHSSDMC-UHFFFAOYSA-N 296.345 3.801 30 20 CHED C[C@H]1CCCCC1=NNc1nc(-c2ccccc2)no1 726739089 CJLLIVAWMQQEPN-NSHDSACASA-N 270.336 3.715 30 20 CHED Cc1cccc(NC(=S)Nc2ccc(F)c(C#N)c2)c1 728176184 KUSAASSAPWJGIG-UHFFFAOYSA-N 285.347 3.815 30 20 CHED CC(=O)c1cc(F)cc(F)c1OCc1cccc(C#N)c1 729239084 LLLMSOMYDZPGBH-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=CC[C@H](c1ccccc1)c1nc(CC2CC2)no1 576767529 AOEVRNGGWMSJSX-CQSZACIVSA-N 254.333 3.730 30 20 CHED C=CCN(C(=O)c1ccc(-c2ccco2)nc1C)C(C)C 726143864 UPTVYZFORHMDOG-UHFFFAOYSA-N 284.359 3.687 30 20 CHED CSCCCCCCNC(=O)[C@]1(C#N)CC12CCCC2 828263297 ALFOUKXUJDMHSE-MRXNPFEDSA-N 294.464 3.500 30 20 CHED C[C@@H]1COCC[C@@H]1Nc1ccc(OC(C)(C)C)c(C#N)c1 824722146 OFBJTUDUYCGLDR-DOMZBBRYSA-N 288.391 3.572 30 20 CHED N#Cc1ccc(-c2ccn(Cc3cccc(F)c3F)n2)cc1 728710988 UODRAUNSGBYVBB-UHFFFAOYSA-N 295.292 3.748 30 20 CHED C=C(C)C[C@H](C)C(=O)N(C)Cc1cccc2[nH]ccc12 495104115 PCXPJIKDUXIDFA-ZDUSSCGKSA-N 270.376 3.729 30 20 CHED C=CCC1(NC[C@H]2C(C)=CCC[C@H]2C)CCOCC1 668550752 FSMYXXRIUBNGKW-CVEARBPZSA-N 263.425 3.694 30 20 CHED C=CC[S@@](=O)[C@@H](C)c1ccc(OC(F)(F)F)cc1 905170558 ZYOXLXZZPFQOLV-NIVTXAMTSA-N 278.295 3.581 30 20 CHED C=CCCNC(=O)Nc1ccc(F)cc1C(F)(F)F 665964618 XIXCKZRTZRPYTN-UHFFFAOYSA-N 276.233 3.542 30 20 CHED CN(CC(C)(C)C#N)C(=O)C(C)(C)c1ccccc1Cl 497350339 PTMYVLUPKRZZTK-UHFFFAOYSA-N 292.810 3.626 30 20 CHED CCCCCCCCC(=O)N1C[C@H](C)O[C@@H](CC)C1 732145342 AYBCSSHSDKTTBO-GJZGRUSLSA-N 269.429 3.763 30 20 CHED CC[C@](C)(C#N)c1nc([C@@H](C)c2ccccc2C)no1 584436200 VBLVYRPDJBVBSM-BLLLJJGKSA-N 269.348 3.721 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](C3CCC3)C2)CCCC1 665685025 LZDPXZITYIZFKA-OAHLLOKOSA-N 261.409 3.772 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2ccc(F)cc2F)c1 730150516 APDGFWKMTNAMNK-DAXSKMNVSA-N 299.276 3.763 30 20 CHED CC(C)(C)c1nc(CNc2cccc(CC#N)c2)co1 901420864 NMLKVNLGGODDNN-UHFFFAOYSA-N 269.348 3.650 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)nc2F)CCCCC1 839330164 AANBIYNQWRXJQJ-UHFFFAOYSA-N 280.318 3.825 30 20 CHED C=CC(C)(C)C(=O)OCc1csc(CCCC)n1 837864953 UDIIZEQALJYZLG-UHFFFAOYSA-N 267.394 3.741 30 20 CHED C=CCCCCCN(C)C[C@@H](O)c1cccc(F)c1 739931125 QKDFGRJAMDTFKU-MRXNPFEDSA-N 265.372 3.537 30 20 CHED C=CCCNC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 661569182 HQCYRVWYJFIKBR-HZPDHXFCSA-N 272.392 3.588 30 20 CHED CSCCCC=NNc1cc(C(F)(F)F)ccn1 834985622 NTXLCULXWKFBTE-UHFFFAOYSA-N 277.315 3.641 30 20 CHED Cc1ccccc1/C=C/C(=O)c1csc(C(=O)O)c1 730148921 PTAAVYMCJHBDKX-VOTSOKGWSA-N 272.325 3.651 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1 588523592 DGCAKKDXKRLDIW-OQFOIZHKSA-N 271.291 3.516 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)NC1CCC2(CCCCC2)CC1 583005646 LOHHLJAMWMIHCK-UHFFFAOYSA-N 299.418 3.818 30 20 CHED CCCCCCCC(=O)Nc1nc(CN(C)C)cs1 837264030 QTOCDWNPUJWYEM-UHFFFAOYSA-N 283.441 3.504 30 20 CHED CC(C)n1cncc1/C=C1/Cc2c(F)cc(F)cc2C1=O 901487017 WROXHMRZDOPEGZ-KMKOMSMNSA-N 288.297 3.565 30 20 CHED C[C@H]1CCCCC1=NNc1ccc(C(=O)O)c(F)c1 835010214 TWANFSXQKWOJPR-VIFPVBQESA-N 264.300 3.502 30 20 CHED C=C(Cl)COC(=O)C(C)(C)c1cccc(Cl)c1 736915617 PXEZXLKGPIBFBE-UHFFFAOYSA-N 273.159 3.913 30 20 CHED Fc1ccc(-c2cc(CON=C3CCC3)on2)cc1 735489909 JOIRYOJVYNGAEJ-UHFFFAOYSA-N 260.268 3.537 30 20 CHED CC[C@@H](O)c1ccccc1-c1cc(C#N)ccc1OCOC 904885670 PVIANKRCVXKASS-QGZVFWFLSA-N 297.354 3.651 30 20 CHED N#CCCCCCC(=O)Nc1cc(F)cc(Cl)c1 588161614 AQSHVYNFTPTAFO-UHFFFAOYSA-N 268.719 3.892 30 20 CHED C=CCCCCCN(C)Cc1ccc(OCC)cn1 674864903 LJBJDLLXNKFULW-UHFFFAOYSA-N 262.397 3.659 30 20 CHED CC(=NNc1nc(-c2ccncc2)no1)[C@H]1CCCC[C@@H]1C 834951626 BJPHWDWZDPJQCL-FZMZJTMJSA-N 299.378 3.746 30 20 CHED CC1(C)CN(Cc2ccccc2C#N)[C@@H]1c1cccnc1 590051032 XLCLDRRKGNLLNQ-QGZVFWFLSA-N 277.371 3.536 30 20 CHED Cc1cc([C@H](C)/N=C\c2cccc(O)c2O)c(C)s1 914701938 SFXDPLQAERAPCY-SYEOYNTFSA-N 275.373 3.956 30 20 CHED CC#CCOC(=O)c1oc2ccccc2c1COC(C)C 744552877 SPAXKUSKLPOPNJ-UHFFFAOYSA-N 286.327 3.538 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(F)c1)C(C)C 916706217 NLSIAMJZVSOWDE-UHFFFAOYSA-N 250.317 3.562 30 20 CHED O=C(/C=C\c1cccc2c1OCO2)C1CCCCC1 915988091 QDVJWGUBFBYKNT-KTKRTIGZSA-N 258.317 3.578 30 20 CHED FC(F)CNN=CC(c1ccccc1)c1ccccc1 740618080 RPPVNBXZBGTJTB-UHFFFAOYSA-N 274.314 3.659 30 20 CHED C=C(C)COC(=O)COc1ccccc1Cc1ccccc1 916586979 OGFDPEWQBYPALT-UHFFFAOYSA-N 296.366 3.776 30 20 CHED C#Cc1cccc(NC(=O)NCC(C)(C)c2ccccc2)c1 915339805 JLHWUIOVIYLPNQ-UHFFFAOYSA-N 292.382 3.767 30 20 CHED COCc1cccc(C=NNc2nc3ccccc3s2)c1 743418210 AJFRUSOFIDVEAT-UHFFFAOYSA-N 297.383 3.889 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2)cc(C)c1O 916268071 IBHVSJUTPUMUEK-UHFFFAOYSA-N 258.296 3.594 30 20 CHED C#CCOc1ccc(C(=O)Nc2cccc(CC)c2)cc1 741511715 KPKMLDHRNUVLER-UHFFFAOYSA-N 279.339 3.513 30 20 CHED CC(C)(C)CC(=NNc1ccc(CC(=O)O)cc1)C1CC1 848414063 ILZNIMHZECFBHZ-UHFFFAOYSA-N 288.391 3.928 30 20 CHED Cc1cc(CSCc2cc(C#N)ccc2F)nc(C)n1 596374594 FPJTYGUSGOINFI-UHFFFAOYSA-N 287.363 3.538 30 20 CHED N#CC[C@H]1CCCN([C@@H]2CCCc3ccc(F)cc32)C1 595619490 BZGCITHTBIXESM-CXAGYDPISA-N 272.367 3.829 30 20 CHED CCCCC[C@H](NC(=O)[C@@H](C#N)CC)c1ccccc1 845423959 FSJDPNYPUPTTFI-ZBFHGGJFSA-N 272.392 3.974 30 20 CHED C[C@@H]1CCCC1=NNc1cc(CO)ccc1Br 841654640 OQLXGYXTTSGRTF-SECBINFHSA-N 297.196 3.529 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)N2CCC[C@H](CC#N)C2)C1 595646721 MVNKWSNNSCXBKR-HUUCEWRRSA-N 291.439 3.538 30 20 CHED C=C(Br)COC(=O)c1cc2cccc(F)c2o1 745284008 CDJDWILEXWUFSB-UHFFFAOYSA-N 299.095 3.637 30 20 CHED C[C@]1(C#N)CCCN(c2nc3ccccc3n3cccc23)C1 596196867 WWVGJAKPKBIIIM-GOSISDBHSA-N 290.370 3.618 30 20 CHED Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H](CC#N)C2)c1 596793359 GYLOQMVNBKRWMQ-LBPRGKRZSA-N 291.782 3.806 30 20 CHED CCCCCCC(=O)OCc1ccc(C#N)cc1F 919232990 ZIAUQPDCSBCTAO-UHFFFAOYSA-N 263.312 3.711 30 20 CHED C#CCCCNC(=O)Nc1ccc(CCCC)cc1 743064276 HNEGSFZTMMIRRH-UHFFFAOYSA-N 258.365 3.564 30 20 CHED N#CC1(CC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CCCCC1 597300577 HEQXNWXWDHHWMG-OWCLPIDISA-N 288.435 3.936 30 20 CHED C=CCN(C(=O)Nc1ccc(C)cc1F)C(C)C 916706158 JFYGWVMYCVJCRQ-UHFFFAOYSA-N 250.317 3.562 30 20 CHED N#CC1(COC(=O)c2coc3ccc(Cl)cc23)CCC1 845411875 CPXIHNGVSYJTJG-UHFFFAOYSA-N 289.718 3.937 30 20 CHED N#Cc1ccc(F)c(C/N=C/c2cc(Cl)ccc2O)c1 743043224 UJOZRPCVWVSYQB-DJKKODMXSA-N 288.709 3.675 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 913674833 JORXXMGBDHLJCS-LBPRGKRZSA-N 299.757 3.727 30 20 CHED C=C(C)CNC(=S)N[C@H]1C[C@H](c2ccccc2Cl)C1 840767078 INNRXDLLIWTDFU-HAQNSBGRSA-N 294.851 3.626 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)o1 840715523 FMPVYFGAAHASTH-SOFGYWHQSA-N 284.359 3.826 30 20 CHED CC(=NOCC(C)C)c1cccc(OC(F)F)c1 749627159 XTBNCHACVBDPOC-UHFFFAOYSA-N 257.280 3.685 30 20 CHED CC[C@H](C#N)C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 593741874 SDWOOXUXJNEYRL-ZBFHGGJFSA-N 282.387 3.680 30 20 CHED C#C[C@H](OC(=O)CCCOCC)c1ccc(Cl)cc1F 842353316 LPOIFSFNVDBNGX-AWEZNQCLSA-N 298.741 3.513 30 20 CHED CC#CCCNC(=O)N(C)Cc1ccc(Cl)cc1Cl 681538767 VGIQYJMEYCKPKI-UHFFFAOYSA-N 299.201 3.548 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1ccc(O)cc1 740764243 PHKWNWCAXGYDQK-MDZDMXLPSA-N 275.307 3.837 30 20 CHED C[C@H]1CN(Cc2ccccc2)CCCN1CCC(C)(C)C#N 131680314 RPQDSRWBOJDHEZ-KRWDZBQOSA-N 299.462 3.523 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 929570725 TZUNABFIFRZBPO-OLZOCXBDSA-N 263.356 3.947 30 20 CHED N#Cc1ccc(CNC/C=C\c2ccc(F)cc2)cc1 747916013 NWOZRHYLVGHUGX-UPHRSURJSA-N 266.319 3.500 30 20 CHED C=C(C)CONC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 845607476 RHSNBMWJNIXRTD-HZPDHXFCSA-N 288.391 3.520 30 20 CHED C#C[C@H](OC(=O)CC(C)(C)OC)c1ccc(Cl)cc1F 842353514 NKQZBWDGRZEYMZ-ZDUSSCGKSA-N 298.741 3.512 30 20 CHED C=CCOc1ccccc1-c1nc(CCc2ccco2)no1 685332792 BQLCVPXYTSNKTA-UHFFFAOYSA-N 296.326 3.680 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)O[C@H](C)CC(C)(C)C#N 851206336 QQHUWWAKLHYRBT-ZOWXZIJZSA-N 251.370 3.684 30 20 CHED C[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@@H](C)S1 929726111 POAUKVUZUFOMBP-ZIAGYGMSSA-N 266.454 3.676 30 20 CHED C#CC[C@H](CCOC)Nc1cc2ccccc2c(Cl)n1 858855448 MBSRDPYNHWJFOP-CYBMUJFWSA-N 288.778 3.729 30 20 CHED C[C@@H](CC1CCOCC1)OC(=O)CC1(C#N)CCCCC1 851018642 PQIAVIZJMAZVPH-AWEZNQCLSA-N 293.407 3.599 30 20 CHED C=CCOc1ccccc1CNC[C@H]1CC1(Cl)Cl 920956843 WEFYRZDVDDKOSD-GFCCVEGCSA-N 286.202 3.535 30 20 CHED C#CCCOC(=O)N(c1ccc(Cl)cc1)C(C)C 858966247 CEBXERCXAOTWCL-UHFFFAOYSA-N 265.740 3.715 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2cc(O)ccc2O)c1 757468925 ZOUWFRPWVIPGSA-VURMDHGXSA-N 298.338 3.783 30 20 CHED C=CCCCCCOc1cccc(-c2nnco2)c1 683734516 AHEGNEVOCCKEMX-UHFFFAOYSA-N 258.321 3.862 30 20 CHED C#CC[C@H](NC(=O)N[C@H]1CCC[C@@H](C)C1)c1ccccc1 757009132 ABMJBJMSPFQOGJ-PVAVHDDUSA-N 284.403 3.629 30 20 CHED CC(C)c1ccc2cc(C(=O)N(C3CC3)[C@H](C)C#N)[nH]c2c1 855584091 ORAJIOUUWABXOM-GFCCVEGCSA-N 295.386 3.808 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNc2ccc(F)cc2C)o1 750939102 UAVDAIOEBGFZJE-UHFFFAOYSA-N 298.321 3.872 30 20 CHED C#CCCCCCC(=O)N1CCOc2ccccc2[C@H]1C 856487179 QCVLHPZWXCUWFR-OAHLLOKOSA-N 285.387 3.552 30 20 CHED C/C(=C/C(=O)N[C@@H](C#N)C1CCCCC1)c1cccs1 857602506 PVODOAOKXCIHTL-HCYCVZQXSA-N 288.416 3.740 30 20 CHED C[C@@H]1CCC(=NNc2ncccc2[N+](=O)[O-])c2ccccc21 752735917 XUNZRYWHTZCIJU-LLVKDONJSA-N 296.330 3.703 30 20 CHED Cc1cc(F)ccc1NN=C1[C@@H]2CCCO[C@@H]2C1(C)C 750939157 WDDPIFPBNKLYGV-WFASDCNBSA-N 276.355 3.737 30 20 CHED C#CCCCC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 758086749 KFLYWJGZKMOHKC-ZDUSSCGKSA-N 261.340 3.539 30 20 CHED C#CC[C@H](NCc1ccc(OC)cc1)c1ccccc1 756997059 UMRQCCUTXXSOAV-SFHVURJKSA-N 265.356 3.549 30 20 CHED C#CCN(Cc1cnc(OC)c(Cl)c1)C1CCCCC1 751966524 XKBKHLLAIUQLEM-UHFFFAOYSA-N 292.810 3.512 30 20 CHED C=CCCCC(=O)N[C@H](CC)Cc1ccc(F)cc1 855212782 BUQBINCRHJDFEW-OAHLLOKOSA-N 263.356 3.619 30 20 CHED CCCCCC[C@@H](CC)C(=O)Nc1ncc(C#N)s1 759634610 UUOPMPUHMFUDQD-LLVKDONJSA-N 279.409 3.950 30 20 CHED CCC1(C)CCN(C(=O)c2cc(C#N)ccc2C)CC1 931427018 PHVIGCVMCBIQSK-UHFFFAOYSA-N 270.376 3.519 30 20 CHED C=CCN(Cc1ccc(C(=O)OC)cc1F)c1ccccc1 864002294 XVYDJLMPXFZBGP-UHFFFAOYSA-N 299.345 3.805 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](CCC)c1ccccn1 931982607 QXTZNARDMSGLTI-ZFWWWQNUSA-N 260.381 3.641 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NNc1ccccc1 864309094 QFCOVFFNSPHVES-UHFFFAOYSA-N 276.343 3.627 30 20 CHED C#C[C@H](CC)OC(=O)c1cccc(-c2csc(C)n2)c1 768047937 HQIUPCRIPUGHLO-CQSZACIVSA-N 285.368 3.687 30 20 CHED C[C@H](C=NNc1ccc(Cl)nn1)c1cccc(Cl)c1 763340326 VGYYTAWOHWXRDD-SECBINFHSA-N 295.173 3.985 30 20 CHED CCN(CCC#N)C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 930464548 UVWJEUQSSPGMGG-UHFFFAOYSA-N 297.402 3.841 30 20 CHED CC(Cc1ccncc1)=NNc1ccc(Cl)cc1 767743658 KIBUBWNCKGRLFK-UHFFFAOYSA-N 259.740 3.766 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CC[C@H](N)CC1 870872008 VGOBZHKFEMFYJR-WKILWMFISA-N 282.472 3.713 30 20 CHED Cc1c([C@@H](C)NCCCCC#N)cnn1-c1ccccc1 765731439 RQULSBGUOKKINH-CQSZACIVSA-N 282.391 3.525 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCc1ccccc1 768373795 POROAKAGDXODFU-UHFFFAOYSA-N 273.376 3.882 30 20 CHED CCCCCCCCc1nc([C@@H]2CCCO2)no1 762246062 YETOHSKSUXCHFL-LBPRGKRZSA-N 252.358 3.824 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1occc1C 767775560 NJHOECSHGRWRRV-UHFFFAOYSA-N 283.253 3.838 30 20 CHED CCC(CC)(CC)C(=O)NCc1cc(C#N)ccc1F 760568735 GMYAEQRXAGXWMD-UHFFFAOYSA-N 276.355 3.530 30 20 CHED Cc1cc(F)ccc1C=NNCc1cnc2ccccc2c1 764779753 UGKUJWMSEIJDTM-UHFFFAOYSA-N 293.345 3.806 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1csc([N+](=O)[O-])c1 768609574 UNGDGFAEZNAJFT-UHFFFAOYSA-N 296.348 3.533 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(OCC#N)cc1 1116576641 DFFMNWLZYXCKTG-CYBMUJFWSA-N 288.391 3.990 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)c2sccc2C)c1 1116270661 FERSFWJMZFVQNN-VOTSOKGWSA-N 286.352 3.739 30 20 CHED C#CCCCCC(=O)O[C@@H](CC)c1cccc(OC)c1 773787803 MBQPJJKYZWPPIR-INIZCTEOSA-N 274.360 3.883 30 20 CHED CCCCCCCC(=O)Nc1nccc(C2CC2)n1 875885563 HRPLZXVBEUYPEF-UHFFFAOYSA-N 261.369 3.653 30 20 CHED O=C1/C(=C/c2nc3c(s2)CCCC3)Cc2c(F)cccc21 776266492 RJWHSYJJQDTOHS-MDZDMXLPSA-N 299.370 3.983 30 20 CHED C#CCCCC(=O)N1C[C@H](C(C)C)c2ccccc21 772917286 MPCDUYUFEQRTTA-OAHLLOKOSA-N 255.361 3.576 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1SCC#N 775925140 RDHUZPBBGMXRNJ-ZDUSSCGKSA-N 288.416 3.777 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc(O)ccc1F 872058902 ZKXIISIATXIEFV-GFCCVEGCSA-N 296.345 3.743 30 20 CHED N#CCCCCCC(=O)Nc1cc(F)c(F)c(F)c1F 871268221 BVIGLBNMEJOSPA-UHFFFAOYSA-N 288.244 3.656 30 20 CHED CC(CC12CC3CC(CC(C3)C1)C2)=NNC[C@H](C)C#N 771100429 UZMABZVSQYUKMY-LMWIKNPDSA-N 273.424 3.718 30 20 CHED C=C[C@H](CC(=O)OCCC(C)(C)C#N)c1ccccc1 776397779 VHSXLTIIJZDZPG-CQSZACIVSA-N 271.360 3.829 30 20 CHED CC(C)c1nccnc1NN=C1CCCOc2ccccc21 773078045 LXJPKEMZYFUTFN-UHFFFAOYSA-N 296.374 3.589 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccnc(Cl)c1 779459566 CCXIUNLFFKJAIX-SREVYHEPSA-N 273.719 3.640 30 20 CHED CC(C)CCC1=NN(c2ccc(C#N)c(Cl)c2)C(=O)C1 871956715 AHIKFPIUCZIDFS-UHFFFAOYSA-N 289.766 3.741 30 20 CHED CC(=O)[C@](C#N)(CCN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 878088577 SNZFBPNMRUZIHF-TXPKVOOTSA-N 298.430 3.690 30 20 CHED CC(C)(C)c1cc(-c2nnc(-c3cccc(C#N)c3)o2)no1 1117232010 ROWPYLVYAPSJDD-UHFFFAOYSA-N 294.314 3.561 30 20 CHED Cc1ccc(NN=C2CCCc3ncccc32)cc1 872325083 BOFVZFXEVVHCLO-UHFFFAOYSA-N 251.333 3.543 30 20 CHED CCC(=NN=c1cc[nH]cc1)c1c(F)cccc1Cl 779811316 PCGUYXLXBUAXSQ-UHFFFAOYSA-N 277.730 3.522 30 20 CHED C=CC[C@H](C(=O)Oc1cccc([N+](=O)[O-])c1)c1ccccc1 777403395 CICVYHKRUMEFFT-INIZCTEOSA-N 297.310 3.860 30 20 CHED N#C[C@@H](OC(=O)CC1CCSCC1)C1CCCCC1 776397506 OGFVAFVLPCIHFW-CQSZACIVSA-N 281.421 3.535 30 20 CHED C=C(CC(C)C)C(=O)N1CCCC[C@@H]1c1cccn1C 1123732659 ZZEVKIHAEUUSLC-MRXNPFEDSA-N 274.408 3.681 30 20 CHED C[C@@H]1CCC(=NNc2cc(C#N)cc(Cl)n2)[C@H](C)C1 783861987 BAMUFVCCJPPGPT-NXEZZACHSA-N 276.771 3.831 30 20 CHED CC1(C)C[C@H](NN=C2C[C@@H]3CCCc4cccc2c43)CCO1 780251447 VHLUMKUQJSJAGQ-LSDHHAIUSA-N 298.430 3.762 30 20 CHED C(=NOC[C@H]1CCOC1)c1ccc(-c2ccccc2)cc1 788032781 DKRYBEWXZOYPAM-INIZCTEOSA-N 281.355 3.741 30 20 CHED C=C1CCC(C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)CC1 889023894 NTAWIQYGIWDVTF-BMFZPTHFSA-N 261.409 3.912 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NOCc1cccnc1 788719703 DACIDQCUQHWEJA-UHFFFAOYSA-N 296.370 3.692 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)CCc1cc(C)on1 1123065965 REVGVHWKNRSVGR-DZGCQCFKSA-N 277.364 3.594 30 20 CHED Clc1cc(Cl)cc(C=NNCCc2ccccn2)c1 789125008 PZYADSHTCZKYAF-UHFFFAOYSA-N 294.185 3.555 30 20 CHED Cc1noc(C(C)C)c1C(=O)OCC1(C#N)CCCCC1 780488221 UYTDPPBCZYSHOS-UHFFFAOYSA-N 290.363 3.737 30 20 CHED C[C@H]1CCC(=NNCCc2ccccc2F)[C@@H](C)C1 783854335 ORDZOHYKPAZGNJ-STQMWFEESA-N 262.372 3.770 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccccc1OC(F)F 782299981 KABNEUDEFHDYKF-ZDUSSCGKSA-N 282.334 3.790 30 20 CHED C#CCC1(C(=O)N[C@H]2CCCC[C@H]2C)CCCCC1 788141858 XBYIQOPQQULKJM-CABCVRRESA-N 261.409 3.655 30 20 CHED C#CCC1(C(=O)NCc2cc(C)cc(OC)c2)CCCCC1 788235160 RXGGPIDLGNXUKE-UHFFFAOYSA-N 299.414 3.594 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cnc(C2CCC2)s1 782288568 QJNRUPQVSSZWKY-CYBMUJFWSA-N 277.437 3.913 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc2cnccc2c1 782097510 KBTSLUIQUQIYIO-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C(=NNc1ncnc2ccsc12)c1cc2ccccc2[nH]1 788434111 GGAMAJFXAKRNNA-UHFFFAOYSA-N 293.355 3.619 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ncncc1Cl 780274742 FFWDYZCZZLYCDI-UHFFFAOYSA-N 288.782 3.859 30 20 CHED COC1(CNc2nc(Cl)c(C#N)s2)CCCCCC1 1472896677 JNXBTCKGQMTMSD-UHFFFAOYSA-N 299.827 3.819 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)Cc1cccc(Cl)c1 104628169 NXLAXUQCHZRDLP-UHFFFAOYSA-N 292.810 3.671 30 20 CHED C=C1CC(c2noc(C[C@@]3(C)CC3(Cl)Cl)n2)C1 896876332 DMVISIQAKPQGMY-NSHDSACASA-N 273.163 3.630 30 20 CHED COc1cc(C(=O)OCCCC(C)(C)C#N)ccc1Cl 784405779 JIZWHVPOGZOXSS-UHFFFAOYSA-N 295.766 3.835 30 20 CHED Cc1cc(C(=O)/C=C/c2cc3cc(C)c(C)cc3o2)n(C)n1 789160618 YIBAEBCUHWBTKN-AATRIKPKSA-N 294.354 3.988 30 20 CHED CCO[C@H]1CC(=NN[C@H]2CCOC(C)(C)C2)C1(CC)CC 780249690 HCCTXWYVZFEBCT-ZFWWWQNUSA-N 296.455 3.505 30 20 CHED C[C@H]1CN(c2cc(C#N)sc2[N+](=O)[O-])[C@@H]1c1ccccc1 892726748 CDBCBLNFMOYCPC-HZMBPMFUSA-N 299.355 3.725 30 20 CHED C[C@]1(C#N)CCCN(c2ccnc3c(F)cccc23)C1 788855515 QNQGNIHGPJATIH-MRXNPFEDSA-N 269.323 3.504 30 20 CHED CCn1cc(/C=C2/CCc3ccc(C(C)C)cc3C2=O)nn1 899364758 HRDZTHFTNWUPHH-DHDCSXOGSA-N 295.386 3.634 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1cc(C)on1 790297844 PZWDJUVWSURDAQ-UHFFFAOYSA-N 283.253 3.838 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@H](C)c1ccc(C)o1 799442241 BXXDMMUYVJNHJN-GFCCVEGCSA-N 283.327 3.731 30 20 CHED Clc1cccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)n1 793174821 MZQQJGRGLZDKCC-WYUUTHIRSA-N 275.783 3.959 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)C2(C#N)CCCCC2)CC1 188829625 DANKCZRTWVPZAY-ZIAGYGMSSA-N 262.397 3.545 30 20 CHED COCCCON=C1CCCOc2c1cccc2C(C)C 795042813 ZYHKKTULRBSXMA-UHFFFAOYSA-N 291.391 3.740 30 20 CHED COc1cc(C=NNCC2(C)CCCC2)cc(Cl)c1O 793089036 DBCISEYAFGUYSB-UHFFFAOYSA-N 296.798 3.558 30 20 CHED Cc1cccc(Oc2ccccc2C(=O)O[C@H](C)C#N)c1 799554812 GXVDKUIBGNORFE-CYBMUJFWSA-N 281.311 3.856 30 20 CHED CC(=NNc1ncccc1F)c1coc2ccccc12 794980012 CSBZDGSAKMZGBJ-UHFFFAOYSA-N 269.279 3.803 30 20 CHED Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1C#N 799294618 HKECDYXCXLVZSN-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CC(C)O[C@@H](C=NNc1ccccn1)c1ccccc1 792916697 ANCRYXLHPUTGAR-HNNXBMFYSA-N 269.348 3.646 30 20 CHED Cc1ccoc1CNc1ccc(OC(F)(F)F)c(C#N)c1 799346513 DUCXSSXDVAFZFL-UHFFFAOYSA-N 296.248 3.970 30 20 CHED FC(F)C1CCC(=NNc2ncccc2Cl)CC1 799477337 PMQGTKLUOYSYGV-UHFFFAOYSA-N 273.714 3.958 30 20 CHED C=CCC[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccco1 796858946 KZSQDZQVNGBPSV-CYBMUJFWSA-N 298.342 3.730 30 20 CHED C=CCCSCCNC[C@@H]1C[C@@H]1c1ccccc1 597184156 HPHFSATZEKSHDL-JKSUJKDBSA-N 261.434 3.689 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)[nH]c1C 1142234052 PKFQGUMBIIAICX-ZIAGYGMSSA-N 287.407 3.531 30 20 CHED C[C@H]1C[C@@H](NCc2cccc(OCC#N)c2)CC[C@H]1C 85040269 WEEVIXBYFOUEKB-YCPHGPKFSA-N 272.392 3.503 30 20 CHED CC[C@H](C)CN(CC)c1nc(C(F)(F)F)ccc1C#N 93538573 LFVPGFYUSWCVHW-JTQLQIEISA-N 285.313 3.844 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)C1(C#N)CCCCC1 94328667 PRVRLDCUQSCPHQ-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED CC[C@H](C)[C@H](C)Nc1ncc(Cl)c(C)c1C#N 1162558248 BMLZLVUEQHPVAK-WPRPVWTQSA-N 251.761 3.762 30 20 CHED CC(C)(C)c1ccc(NN=C2CCCCCC2)nn1 1318625323 CPHJTROKVGXRLH-UHFFFAOYSA-N 260.385 3.896 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 1318556954 ZIEJIRMVXWOSJA-ZDUSSCGKSA-N 298.390 3.575 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccnc2N(C)C)c(C)c1 1322876752 XNBRBFPZQXRCKQ-NTMALXAHSA-N 280.371 3.661 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccccc1SCC 1320306482 UNCCIDOLKQDQGT-CHWSQXEVSA-N 265.422 3.650 30 20 CHED Cc1cccnc1NN=C1C[C@H](C)c2c(C)ccc(O)c21 1320815132 WRHGKZKDWOFJOX-LBPRGKRZSA-N 281.359 3.727 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@H]1CC[C@@H](SC)C1 1324736759 PREJGVWBHOKSFP-QWHCGFSZSA-N 284.469 3.514 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)[C@@H]2CCC[C@H](C)C2)n1 1186713235 KEYWVJOCJOCNOP-RWMBFGLXSA-N 272.396 3.537 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1C[C@@H](C)C[C@H]1CC 1339041192 WECBJCHPLNCFRZ-RWMBFGLXSA-N 294.468 3.513 30 20 CHED C(=NNCC1CCOCC1)c1ccccc1-c1ccccc1 1251898610 CFTXOENKLMKXML-UHFFFAOYSA-N 294.398 3.704 30 20 CHED CC[C@@H](C)C(C)=NNc1cncc(Br)c1 1253686126 VIEJZJGHARQPRO-MRVPVSSYSA-N 270.174 3.678 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H](C)c1cccs1 1333389725 WNVWHWLCDVVDAY-LBPRGKRZSA-N 284.384 3.761 30 20 CHED CCCCCC[C@@H](CC)C(=O)[C@@H](C#N)c1nccn1C 1342269317 USZPLGGGFLZRTB-ZIAGYGMSSA-N 275.396 3.593 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@H](F)C(C)C)c1cccs1 1345106294 VDWLONYOZMEDAS-RTXFEEFZSA-N 283.368 3.876 30 20 CHED CCCC[C@H](CC)CC(=O)[C@@H](C#N)c1ncc(Cl)n1C 1347338561 SCFUKTYEMGPTQX-NWDGAFQWSA-N 295.814 3.856 30 20 CHED N#Cc1ccc(COC(=O)C2CCCCCC2)s1 1346540999 PCVOHWLOFVPVNG-UHFFFAOYSA-N 263.362 3.633 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)c1csc(C#N)c1 1351631758 NNCIBRJYZAYAMW-HNNXBMFYSA-N 298.411 3.761 30 20 CHED Cc1cccc([C@H](O)CN[C@@H](CCC#N)c2ccccc2)c1 1352737255 LARRQRRAQOPBHO-RBUKOAKNSA-N 294.398 3.663 30 20 CHED CCOc1cccc(CCC(=O)Nc2ccc(C#N)cc2)c1 1350450761 JTYFREAFGKCGJY-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C[C@H](OC(=O)c1csc(C#N)c1)c1cc(F)cc(F)c1 1517747569 NXWZQNIVVXEIPF-QMMMGPOBSA-N 293.294 3.816 30 20 CHED Cc1nc(C#N)cc(Oc2cccc(-c3ccccn3)c2)n1 1458511038 JYZCHMYHCGQHGW-UHFFFAOYSA-N 288.310 3.511 30 20 CHED C[C@H]1CC[C@H](CCC(=O)O[C@@H](C)c2cccc(C#N)c2)O1 1525564792 QLKKWBVJFKOLSS-HEHGZKQESA-N 287.359 3.510 30 20 CHED Cc1coc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1C 1525413863 HEHQCYATZWEBLH-NSHDSACASA-N 286.356 3.720 30 20 CHED O=C(O)c1c(F)cccc1NN=C/C=C\c1ccccc1 1608828657 QGAHMFJXFQYMQX-BPNKNNACSA-N 284.290 3.635 30 20 CHED Cc1ccccc1CCN(C)Cc1ccc(F)cc1C#N 1460149957 JWTKMABHLSLWSW-UHFFFAOYSA-N 282.362 3.680 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(C(=O)O)cs2)ccc1F 1600186752 UZUSMODAAKOFBM-HWKANZROSA-N 290.315 3.790 30 20 CHED N#Cc1ccc(CNc2ccc3ncsc3c2)cc1 226364947 WRPYIAXMKJZOHR-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CSc1cc(C)ccc1NC(=O)Cc1cccc(C#N)c1 1460962530 HAXLYQDCWHOQTE-UHFFFAOYSA-N 296.395 3.770 30 20 CHED CCc1ccc2c(c1)[C@H](NCC(C)(C)CCC#N)CCO2 1474105105 QQJCRVAGXHFSGW-MRXNPFEDSA-N 286.419 3.992 30 20 CHED N#Cc1nnc2ccccc2c1NC[C@H]1CCC[C@@H]1C1CC1 1472806593 XONFFMLWESFSRJ-ZIAGYGMSSA-N 292.386 3.740 30 20 CHED COc1cc(CN2CCC(C)(C(C)C)CC2)ccc1C#N 1474462675 KSKYINQYRKLLON-UHFFFAOYSA-N 286.419 3.825 30 20 CHED C[C@@H]1CN(CCC(C)(C)C#N)c2cccc(Cl)c2O1 1473460095 WJGDRIBWJYECRA-LLVKDONJSA-N 278.783 3.867 30 20 CHED CCc1nc(C#N)cc(NC[C@H](c2ccccc2)C(C)C)n1 1559065141 KQWFOMINVRJHIZ-INIZCTEOSA-N 294.402 3.762 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1Cc2ccccc2CO1 1648095158 ADLVKXOWFDTZOU-CYBMUJFWSA-N 264.328 3.567 30 20 CHED Cc1c(Nc2nc(C#N)c(Cl)s2)cccc1N(C)C 1655319580 SJBHIMXYBUXUFU-UHFFFAOYSA-N 292.795 3.786 30 20 CHED C=C(Cl)CN1CCCN(C)c2ccc(Cl)cc21 1653590165 HQIYJOMOJMZZGJ-UHFFFAOYSA-N 271.191 3.739 30 20 CHED C[C@H](CC1CCCCC1)CN1CC[C@](F)(C#N)C1 1659459289 WFTVIWVWUHBSEG-HIFRSBDPSA-N 252.377 3.530 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCc2ccc(F)cc21 1667872415 OGYWVZQSRFDWIY-UHFFFAOYSA-N 295.317 3.600 30 20 CHED CCCC[C@H](S[C@H](C#N)Cc1ccc(C)cc1)C(=O)O 1595651551 HUOVHWQAPNVHIB-GJZGRUSLSA-N 291.416 3.806 30 20 CHED C=C(CNC(=O)c1ccc(C)c2c1CCC2)c1ccccc1 1596357699 WHMGZAPZBJCTAJ-UHFFFAOYSA-N 291.394 3.927 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H](Cc1ccccc1)C(C)C 1671826299 GVNGDFXQIUCGCI-OAHLLOKOSA-N 294.826 3.553 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1ccc(C(=O)O)c(F)c1 1776074537 GIJABZMOTPMKNK-ZJUUUORDSA-N 278.327 3.748 30 20 CHED CC(C)(C(=O)O)c1cccc(NCc2ccc(C#N)cc2)c1 1776240364 DNEUKZGNFFIRFZ-UHFFFAOYSA-N 294.354 3.533 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)C1C(C)(C)C1(C)C 1776037108 WXGHBKBCYLXPHV-UHFFFAOYSA-N 274.364 3.855 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCSCCCCC)C1 1776154810 GZVGNTUONIICRT-MRXNPFEDSA-N 299.480 3.653 30 20 CHED Cc1ccc(F)cc1CNc1ncccc1OCCCC#N 162242122 UCGLWMJADWOFCH-UHFFFAOYSA-N 299.349 3.824 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccccc1N(C)C 158019529 ASOOBGBITDCIEB-UHFFFAOYSA-N 289.423 3.963 30 20 CHED N#Cc1ccc(CNc2ccc(N3CCCCC3)nc2)s1 158129244 ZIAHVBJHLJICNA-UHFFFAOYSA-N 298.415 3.617 30 20 CHED C[C@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 160530097 ZHKZDPPUAOYGDA-DOTOQJQBSA-N 299.418 3.863 30 20 CHED CC#CCCOc1cccc(NC(=O)c2ccccc2)c1 154883211 INLQJAYYOWBPON-UHFFFAOYSA-N 279.339 3.731 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1noc(-c2ccccc2)n1 187683036 BEEBOIUBFMURFP-CYBMUJFWSA-N 298.342 3.534 30 20 CHED CC(C)c1ccc(NCc2cc(C#N)ccn2)cc1 901362990 HOHNUWODWFAOTB-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C=CCN(CCC(=O)Nc1cccc(Cl)c1)C(C)C 917069851 XWUCZXXXTXMBQE-UHFFFAOYSA-N 280.799 3.565 30 20 CHED Cc1cc(Cl)cc(C(=O)N(CCC#N)CC(C)C)c1 129243428 UEEJASRETVUBGP-UHFFFAOYSA-N 278.783 3.660 30 20 CHED CC(C)[C@H]1CCC[C@@H](Nc2ccc(C#N)cn2)CC1 1163112692 KJROPDNTLFARIC-LSDHHAIUSA-N 257.381 3.970 30 20 CHED COc1ccc(SCc2ccc(C#N)cc2F)cc1 19847627 RHOWYKOSIUULOU-UHFFFAOYSA-N 273.332 3.998 30 20 CHED COc1c(C)ccc(NCc2ccc(C#N)s2)c1C 157430373 HRTYBUVIPJYTEB-UHFFFAOYSA-N 272.373 3.857 30 20 CHED N#Cc1cc(F)ccc1COc1ccccc1Cl 260825118 PGHVXKAXNVRJDF-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC(C)CCCN[C@@H](C)c1ccc(OCC#N)cc1 38093635 MJCLAUSXWSVQIT-AWEZNQCLSA-N 260.381 3.676 30 20 CHED C[C@@H]1CSCCN1c1ccc(C(F)(F)F)c(C#N)c1 164472867 JGSPUNAOPVNIEG-SECBINFHSA-N 286.322 3.519 30 20 CHED CC(=O)c1cccc(OCc2ccc(C#N)cc2C)c1 165695736 WYKUSUJIJBOTED-UHFFFAOYSA-N 265.312 3.648 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)Cc2ccsc2)n1 44367589 LMPHBMMQCDIKIL-GFCCVEGCSA-N 271.389 3.675 30 20 CHED Cc1cc(C)cc(N(C)Cc2ccc(C#N)cc2)c1 48400505 PXEUYPHVTYVEKL-UHFFFAOYSA-N 250.345 3.812 30 20 CHED N#Cc1cc(Cl)ccc1NCCOc1ccccc1 52858034 JGDOWCBQRDSENB-UHFFFAOYSA-N 272.735 3.703 30 20 CHED COc1ccc(C#N)cc1CNc1cccc(F)c1Cl 563834002 GVRSBYQZMDTDQJ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCOc1ccc2ccccc2c1B1OC(C)(C)C(C)(C)O1 306786498 VAXXZCIJCCKKMR-UHFFFAOYSA-N 298.191 3.538 30 20 CHED CC(C)[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 71029051 OQMSJEFQFDYQSW-HNNXBMFYSA-N 276.424 3.745 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)c1ncc(C#N)cc1Cl 513634444 AYJUPIQHDCBEMG-ZWNOBZJWSA-N 263.772 3.622 30 20 CHED N#Cc1ccccc1NC(=O)c1cc(F)ccc1Cl 311757622 DNTAVOAORKRNBZ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=CCNC(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 468880225 IHFSRNJVTSGCKJ-AWEZNQCLSA-N 274.408 3.819 30 20 CHED CC(C)(C)c1ccc(Nc2cccc(C#N)n2)cc1 81615963 NYXUHXKSXCYUJP-UHFFFAOYSA-N 251.333 3.994 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N(CC)CC 530426300 UJYIGLNEHNAHLA-UHFFFAOYSA-N 260.381 3.527 30 20 CHED N#Cc1ccc(CC(=O)Nc2cccc(F)c2Cl)cc1 335994294 PUFRXEMQFHMVKU-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C=CCCCCNCc1ccc(OCC)c(OC)c1 336812088 QBWXMYUKDFIQQO-UHFFFAOYSA-N 263.381 3.540 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1F 695728373 CSQBRCJZYNZOJT-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C#C[C@H](N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)(C)C 809781539 VLXBRXWNPSEFQQ-WDSOQIARSA-N 298.474 3.677 30 20 CHED CCc1c(C)sc(NC(=O)c2ccc(C)o2)c1C#N 6122908 WBWDXCXOTKZLQO-UHFFFAOYSA-N 274.345 3.644 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)c1cccc(F)c1 176644356 BLJRDNMLQQOWCD-MLGOLLRUSA-N 288.366 3.518 30 20 CHED C[C@@H](CC(=O)N[C@H](C#N)c1ccccc1F)C(C)(C)C 108803204 LOWKCVZNAMAKNM-SMDDNHRTSA-N 276.355 3.579 30 20 CHED C#CCCCCC(=O)N(C1CC1)[C@@H](C)c1ccco1 119691699 SNGIRDWWMVVVGL-ZDUSSCGKSA-N 259.349 3.525 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(COC(C)C)c1 117003620 QWUZSEDKTYHDSG-CYBMUJFWSA-N 276.380 3.698 30 20 CHED C=CCOc1cccc(NC(=O)NCc2ccccc2C)c1 56557013 GLARNYXBWUMSLB-UHFFFAOYSA-N 296.370 3.882 30 20 CHED CCOc1ccccc1CNCC(C)(C)CCC#N 174297882 AARPBTSOTYPBSU-UHFFFAOYSA-N 260.381 3.505 30 20 CHED C=C(C)CNc1nc(-c2ccc(C#N)cc2)cs1 171119234 QPIZQLOBOMFGIQ-UHFFFAOYSA-N 255.346 3.670 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccccc1 174093910 YLATWJLYFULULT-LSDHHAIUSA-N 280.371 3.676 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)c1cccc(CC#N)c1 178103261 RNGOAWBLTZUCDI-KRWDZBQOSA-N 284.403 3.793 30 20 CHED Cc1c(C(=O)O[C@H]2CC[C@@H](C#N)C2)oc2ccccc12 179986497 XKFOJPLTNHQPTM-NEPJUHHUSA-N 269.300 3.590 30 20 CHED N#Cc1ccc(NCc2cscc2Br)cc1 304585851 OUVGTPCZYJVEKH-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccc(C)n1 348226772 IRPMQSAZEHYUSJ-UHFFFAOYSA-N 266.388 3.968 30 20 CHED N#CCc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 115009926 JYZBUDQSJADDLT-UHFFFAOYSA-N 294.329 3.562 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCCCCC#N 170883282 QJOQGUYDIAZVKA-GJZGRUSLSA-N 279.428 3.584 30 20 CHED CC(=O)c1ccc(C#N)c(NCCOc2ccc(C)cc2)c1 302020589 HURVACTYXGQYEY-UHFFFAOYSA-N 294.354 3.560 30 20 CHED C#Cc1cccc(NC(=O)CCCc2ccc(OC)cc2)c1 61136324 PYGCPEHLUHPDIG-UHFFFAOYSA-N 293.366 3.638 30 20 CHED C[C@@H](CC1CC1)NCCSCc1ccccc1C#N 177822327 SIYRSNHMBWPTMP-ZDUSSCGKSA-N 274.433 3.570 30 20 CHED C=CCc1ccc(OCc2ccn(C(C)C)n2)c(OC)c1 172330319 BBFQYJBIWPLJFY-UHFFFAOYSA-N 286.375 3.780 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N(C)Cc1ccoc1 1342149067 XJBKTKJZEGEGQG-UHFFFAOYSA-N 298.390 3.517 30 20 CHED CC(C)c1cccc2c1CCN(c1ccc(C#N)cn1)C2 302792679 ZOXRXGKBYCKFAB-UHFFFAOYSA-N 277.371 3.639 30 20 CHED C#CCCCNC(=O)Nc1ccccc1CCC(F)(F)F 176503509 MJPMDAJJGANICG-UHFFFAOYSA-N 298.308 3.716 30 20 CHED N#CC1CCN(C/C=C/c2ccc(Cl)cc2)CC1 179734340 MUKODBIYEVTILI-OWOJBTEDSA-N 260.768 3.589 30 20 CHED CC(C)CON=Cc1csc(Br)c1 308150472 OCAGEVWENWIEOR-UHFFFAOYSA-N 262.172 3.517 30 20 CHED CC[C@@H](C#N)Nc1cc(-c2nc(C)co2)ccc1C 122260487 KWGBFEIOCSFKQE-ZDUSSCGKSA-N 255.321 3.673 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)Cc2ccc(C)s2)c1 302114116 QVCYWLAEGFQLAR-UHFFFAOYSA-N 284.384 3.767 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccc(Cl)cc1C 125046660 RTUAZQSHOSSCNU-LLVKDONJSA-N 268.740 3.535 30 20 CHED CC[C@@H](C#N)NC(=O)c1sccc1-c1ccc(C)cc1 123794254 IEUPYZYEMFYQTP-ZDUSSCGKSA-N 284.384 3.756 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)[C@H]2CCCC[C@H]12 180765361 KGYQPAMWMLXPJI-DFBGVHRSSA-N 260.406 3.630 30 20 CHED C=C(C)CN(C)Cc1ccc(OCC(F)(F)F)cc1 181255316 SMUSFFIRLMIMOY-UHFFFAOYSA-N 273.298 3.636 30 20 CHED Cc1ccccc1-n1cnnc1SCCC(C)(C)C#N 123680145 OSHQQOXDTGUAEZ-UHFFFAOYSA-N 286.404 3.608 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccc(F)cc1)C1CCC1 127139911 SVOFUFKORUHQKZ-DLBZAZTESA-N 277.383 3.584 30 20 CHED C=CCn1c(SCC(C)C)nnc1-c1ccoc1C 72098955 SYYDRTISXPBKRR-UHFFFAOYSA-N 277.393 3.781 30 20 CHED CC[C@@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)CCO1 70358018 OKKFUCHXDNVCKC-JKSUJKDBSA-N 288.391 3.739 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(O)cc1)c1ccccc1 186495773 FDMBLUDXMYOWJY-MRXNPFEDSA-N 267.328 3.691 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(Br)c[nH]1 128749033 KIWIGWCVSOFEFA-UHFFFAOYSA-N 299.212 3.596 30 20 CHED C[C@@H](CCC#N)N1CCn2c(cc3c(Cl)cccc32)C1 411645821 JMKCOFHFGZRHJF-LBPRGKRZSA-N 287.794 3.803 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 127799208 GCRHDDALJPDNAO-GFCCVEGCSA-N 281.315 3.948 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N(C)c2cccc(C#N)c2)cc1 180973848 UQYLHOUYPICQSF-OAHLLOKOSA-N 292.382 3.708 30 20 CHED C=CCN(CCc1cncs1)Cc1ccccc1F 411192145 QMMLCMRGYYOITQ-UHFFFAOYSA-N 276.380 3.513 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C1CCC(C(F)(F)F)CC1 410836173 QKXGRAYWJRFFGN-MCIGGMRASA-N 290.329 3.506 30 20 CHED C=CCOc1ccccc1C(=O)OCc1cccc(F)c1 219714849 FJXVMVIMWZWFAD-UHFFFAOYSA-N 286.302 3.748 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)C1CCCCCCC1 123776579 BQZNQBNSSAMKBP-CQSZACIVSA-N 267.413 3.539 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)O/N=C1/CCCOCC1 180485657 IRURICMOOKRYMV-OFEBGVABSA-N 292.335 3.537 30 20 CHED CCSCC[C@@H](C)N(C)Cc1cccc(C#N)c1 72900551 IUVRJZUJSXOOKC-CYBMUJFWSA-N 262.422 3.522 30 20 CHED CC[C@H](Sc1cc(C#N)ccn1)C(=O)c1ccccc1 77933987 RPJDJBWNAAKYDI-AWEZNQCLSA-N 282.368 3.707 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@H](C)c1nc(C)cs1 183851981 LMYPSGNHYQGMOG-RYUDHWBXSA-N 295.452 3.599 30 20 CHED C[C@H](Sc1cc(C#N)ccn1)c1cccc(C#N)c1 189835877 VEYLHJNZDSDYNB-NSHDSACASA-N 265.341 3.678 30 20 CHED C=CCC[C@@H](C)NCCc1ccccc1OC(F)F 188727048 OLOKYXPXADSMRK-GFCCVEGCSA-N 269.335 3.775 30 20 CHED C=CCn1c(SCC2CC2)nnc1-c1ccoc1C 122773274 IIEDTJANYGCEIL-UHFFFAOYSA-N 275.377 3.535 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1 180372524 WNBAFYGRKKFKNB-KGLIPLIRSA-N 260.381 3.792 30 20 CHED N#Cc1cccc(OCc2ncc(Cl)cc2Cl)c1 183118728 YGLUHTXMECSKOA-UHFFFAOYSA-N 279.126 3.839 30 20 CHED Cc1cc(C(=O)O[C@@H](C#N)C(C)(C)C)c(C)n1C(C)C 181990767 CAUAOOJEZHBMSF-AWEZNQCLSA-N 276.380 3.781 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)C[C@@H](C#N)CCC#N 72589855 GTARWICGYCIOPU-MRXNPFEDSA-N 283.419 3.859 30 20 CHED C=CCSCCN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 180454802 HTVPXNYLWLCRRZ-KGLIPLIRSA-N 279.449 3.696 30 20 CHED C=CCCCCNC(=O)Nc1c(OC)cccc1SC 417669972 AMEVHOFEKLZVND-UHFFFAOYSA-N 294.420 3.895 30 20 CHED C#CCCCCC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 180776184 GXKSTLGFVBBFIR-GFCCVEGCSA-N 274.389 3.636 30 20 CHED Cc1cc(C)n(CCCNc2cccc(Cl)c2C#N)n1 130845028 TUIZZMZTVKHUOE-UHFFFAOYSA-N 288.782 3.527 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccnc2ccccc12 410116020 ISDRUZKKABJCTK-HNNXBMFYSA-N 282.387 3.638 30 20 CHED C=C(C)[C@H](NCc1cnn(CC)c1)c1ccc(F)c(F)c1 187374695 WMMNWQYRBZIRKV-INIZCTEOSA-N 291.345 3.588 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cccc(C)c2)cc1 49873525 WABLTBJZZDLDLM-KRWDZBQOSA-N 278.355 3.552 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C/c1cccs1 49524636 BMWSPYDDDSJNQU-VOTSOKGWSA-N 268.341 3.580 30 20 CHED C[C@@H]1CCC[C@H](/C(O)=N/[C@H]2CCO[C@@H]2c2cccnc2)C1 328966100 MTADDJSYBZQBMQ-BFJAYTPKSA-N 288.391 3.694 30 20 CHED C[C@H]1CC[C@H](NCc2cc(C#N)n(C)c2)c2ccccc21 191472886 ULSZBZHRWZWRGN-UGSOOPFHSA-N 279.387 3.625 30 20 CHED C=CCn1c(N2CCC[C@H](CCC)C2)nnc1C(C)(C)C 508512055 WSRCRONICRPLBP-AWEZNQCLSA-N 290.455 3.778 30 20 CHED CCCCCCCC(=O)NCCc1cccc([N+](=O)[O-])c1 133416022 DBNDUEPKTVVFOB-UHFFFAOYSA-N 292.379 3.614 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OC(F)F)cc1 424536655 OWQSDDSZQQXNGF-UHFFFAOYSA-N 269.291 3.829 30 20 CHED C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc(CC#N)c1 427746301 ZYQCRXRZRUSRGK-NSHDSACASA-N 298.308 3.604 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc2ccn(C)c12 190039882 CJGJBXRLHSKKDS-UHFFFAOYSA-N 271.364 3.608 30 20 CHED N#Cc1ccc(OCc2ccn(C3CCCC3)n2)c(F)c1 225240884 JFKYQHDLFUZFPH-UHFFFAOYSA-N 285.322 3.588 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N[C@](C)(C#N)C(C)C 424633728 WTOHGJZBDSNHHK-MAUKXSAKSA-N 286.419 3.618 30 20 CHED CC#CCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 514975663 GAWWBWFQBCFBSH-IBGZPJMESA-N 279.383 3.592 30 20 CHED C=C(CNC(=O)N1CC[C@@H](C)C[C@H]1C)c1ccccc1 425782110 OANJMSLLBDOQIF-UKRRQHHQSA-N 272.392 3.530 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc2cc(OC)ccc2c1 320402897 PDPWVRRWDRNPGM-KSSFIOAISA-N 299.414 3.826 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc2c(c1)CCCN2 423443465 KQCRSRPCUCFVPS-KBPBESRZSA-N 258.409 3.735 30 20 CHED CN(CC1CCC1)c1ccc(C#N)c(Br)c1 228186081 FMMFSVLEBMXXDZ-UHFFFAOYSA-N 279.181 3.557 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)[C@@H]1C 329457464 NRZSXOXWWUWUCT-NDBYEHHHSA-N 266.385 3.667 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)c1 429366046 KHRDTIKWWIFDLR-CJNGLKHVSA-N 286.375 3.658 30 20 CHED C=CCN(Cc1ccc(NC(C)=O)cc1)c1ccccc1 191027462 MZRYWXWLSZQBJB-UHFFFAOYSA-N 280.371 3.838 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@H]2c2ccccc2)cn1 426889972 PLTYGBNKOZYAPK-DLBZAZTESA-N 263.344 3.701 30 20 CHED C[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](CCC#N)c2ccccc2)C1 428962479 AMLDQLOKUATFLF-OIISXLGYSA-N 299.418 3.861 30 20 CHED CC(F)(F)c1ccccc1NC(=O)N[C@@H]1CC[C@H](C#N)C1 335116417 TZPHQAZDEFJUTJ-WDEREUQCSA-N 293.317 3.612 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)c(OC)c1 194905195 PAZYPSSNWAFMII-OAHLLOKOSA-N 297.782 3.516 30 20 CHED N#CCCCCN(Cc1ccccc1)C[C@H](O)c1ccco1 84135131 VBCSESXEOSANOP-KRWDZBQOSA-N 298.386 3.509 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC([C@@H]2CCCO2)CC1 190048399 ZRTBQQMVRACQLB-KSSFIOAISA-N 284.403 3.510 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCC[C@@H](C2)C1 334256081 LZAGZSXXXQAGNF-GJZGRUSLSA-N 283.375 3.521 30 20 CHED CCc1nc(/C(O)=N/C(C)(C)CC(C)(C)C)co1 330849765 WETNIGWXVQTZDN-UHFFFAOYSA-N 252.358 3.756 30 20 CHED N#Cc1c(CN2CCC[C@@H]2C2CCCC2)cn2ccccc12 515509461 YMBCILRNTGQLGY-GOSISDBHSA-N 293.414 3.966 30 20 CHED C[C@@H](C#N)/N=C(/O)c1ccccc1NC1CCCCC1 330697695 VYMHBGJKNHKUQI-LBPRGKRZSA-N 271.364 3.648 30 20 CHED C=CCCCNC/C(C)=C\c1ccccc1COC 513324666 HJJFASCBXLILPC-QINSGFPZSA-N 259.393 3.792 30 20 CHED C=CCCN[C@@H](C)c1ccc(OCCC)c(OC)c1 338566010 OSRCCYMFNMCZPR-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED Cc1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1F 336325732 ANPGJHBZVUWUOS-GFCCVEGCSA-N 282.318 3.748 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc(CC#N)c1 334983148 XAXWPKOTWFLXSH-SWLSCSKDSA-N 271.364 3.547 30 20 CHED C[C@H]1CCC[C@@H](C)CN1c1snc(Cl)c1C#N 92657260 DFEARIOSTVAJMU-BDAKNGLRSA-N 269.801 3.683 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(O)c(Cl)c1 293371921 MHWQZJQNYVIZQI-UHFFFAOYSA-N 253.729 3.586 30 20 CHED Cc1cccc(CCCn2nc(C#N)c3ccccc32)c1 432498570 ZHKPSSUYBZFHDT-UHFFFAOYSA-N 275.355 3.849 30 20 CHED CC[C@H](N[C@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)cc1 337537830 HHMISCNYPOJKGA-SOUVJXGZSA-N 294.345 3.759 30 20 CHED N#CCCC1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 335385235 ULRGDKBOPYCUDP-SFHVURJKSA-N 296.414 3.649 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C[C@H]1C 348199698 QAWYNHJGTYNELZ-CKEIUWERSA-N 296.414 3.531 30 20 CHED CC(C)N(Cc1ccco1)Cc1cc(C#N)cs1 349842089 YEAZXWZQYJYQDP-UHFFFAOYSA-N 260.362 3.623 30 20 CHED C=CC[C@H](C)NC(=O)Nc1nc2c(F)c(F)ccc2s1 346744391 ZKOKXIILTSOPRE-ZETCQYMHSA-N 297.330 3.661 30 20 CHED N#Cc1ccc(Sc2ncc([N+](=O)[O-])cc2Cl)cc1 522904909 WZYSBZXYWAZDSN-UHFFFAOYSA-N 291.719 3.666 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(CC(C)C)cc1 538195303 QBUBFERTVIMNOX-NVXWUHKLSA-N 275.436 3.720 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@H]1CCCC 436308845 NSBRSVJLORKZPJ-NCOADZHNSA-N 265.441 3.916 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)CC1 438933146 DTHQESRBXVMDGB-JKQORVJESA-N 276.424 3.791 30 20 CHED Cc1ccc(-n2cnnc2S[C@@H](C)CCC#N)c(C)c1 340666454 IIZPVUPAPMVWGY-ZDUSSCGKSA-N 286.404 3.669 30 20 CHED C=CC[C@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 604900782 JQPULZJXQULPEG-ZFWWWQNUSA-N 272.392 3.744 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccc(OC)cc2nc1C 343765162 BHBDLXMWPFOOJI-CQSZACIVSA-N 298.386 3.636 30 20 CHED Fc1ccc(C#CCNc2cccc(F)c2F)cc1 433483584 FWIKAFZRJNVCJA-UHFFFAOYSA-N 261.246 3.568 30 20 CHED C[C@H](C#N)CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 609524218 XABABFOQCSTOBR-GFCCVEGCSA-N 298.317 3.507 30 20 CHED C=CCC1(c2nc(-c3ccc(OCC)nc3)no2)CCC1 346073563 OCDSNLUNVVTYDS-UHFFFAOYSA-N 285.347 3.528 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)OCc1ccccc1 606815966 ITJXBBIXSKZWPQ-MRXNPFEDSA-N 289.419 3.797 30 20 CHED N#CCC[C@H](NC(=O)c1ncccc1Cl)c1ccccc1 343333481 KKPIYPCIDVNZJC-AWEZNQCLSA-N 299.761 3.510 30 20 CHED COc1ccccc1CN(C[C@@H](C)CCC#N)C1CC1 602440887 MECGIMQODIKSDU-AWEZNQCLSA-N 272.392 3.599 30 20 CHED CCc1c(N[C@@H]2CCC[C@H](C#N)C2)cnn1CCC(C)C 446976969 KFPLLOBVRFZYPY-LSDHHAIUSA-N 288.439 3.986 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)NC[C@@H](C)C#N 609589985 YVUCSQQWLHUWIT-ZFWWWQNUSA-N 264.413 3.649 30 20 CHED C=CC[C@H](C)NC(=O)c1oc2ccccc2c1CSC 609738672 BOHIZLMQBXSPKK-NSHDSACASA-N 289.400 3.990 30 20 CHED CC[C@@H](F)CNc1cccc(OCCCC#N)c1 442104494 UUDYHLFFVFJZGN-GFCCVEGCSA-N 250.317 3.529 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(F)c2ccccc12 602448028 QGHFPPMOIGOYAS-GFCCVEGCSA-N 256.324 3.570 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccccc1C)C(C)(C)C 538258015 PHYGMJOBQZESPB-RDJZCZTQSA-N 275.436 3.999 30 20 CHED C=CCN(C(=O)c1cc2c(C)cc(C)cc2[nH]1)C1CC1 539035420 OZNJTKTWAURMAV-UHFFFAOYSA-N 268.360 3.575 30 20 CHED CC(C)n1ccc(CSc2ccc(C#N)cc2F)n1 358063919 JLMSTAWJLJPTNR-UHFFFAOYSA-N 275.352 3.767 30 20 CHED Clc1cccc(C#CCN2CCC[C@H]2c2ccccn2)c1 533484575 RAQUAUHCKQSLFD-SFHVURJKSA-N 296.801 3.924 30 20 CHED CC[C@H]1CN(Cc2ccc(F)cc2C#N)c2ccccc2O1 441358917 WBPDKPZWSUUPPK-INIZCTEOSA-N 296.345 3.875 30 20 CHED CCCC(O)(CCC)CN[C@@H](CC)c1ccc(C#N)cc1 447537341 VCTGAAXJHFLTHG-KRWDZBQOSA-N 288.435 3.930 30 20 CHED CCSCc1cccc(NC(=O)CC(C)(C)C#N)c1 354084222 DLIPGBUFTIZWGA-UHFFFAOYSA-N 276.405 3.818 30 20 CHED CC(C)(C#N)C(=O)N1Cc2ccccc2-c2ccccc2C1 263682629 GYCVQGSQCGGGGM-UHFFFAOYSA-N 290.366 3.746 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618730482 GSVILDQPQAQLED-DDUZABMNSA-N 296.414 3.878 30 20 CHED C[C@H]1CCC[C@@H](C)N(Cc2cn3ccccc3c2C#N)C1 357745324 OOYPFPSUSANPFA-LSDHHAIUSA-N 281.403 3.821 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OCC)cc1 539443093 MRQKFWVWIXZBPJ-CYBMUJFWSA-N 276.380 3.952 30 20 CHED N#Cc1ccc(CN[C@H](c2cccs2)C2CC2)s1 539415772 SGGHAUGCYSAVPQ-AWEZNQCLSA-N 274.414 3.922 30 20 CHED C[C@@]1(C#N)CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 612167729 VYTPPDSMEYWQCU-KRWDZBQOSA-N 299.349 3.606 30 20 CHED C=CCC1(NC(=O)[C@@H]2Cc3ccccc3S2)CCCC1 619114631 LMLICUVSAVYGLQ-HNNXBMFYSA-N 287.428 3.709 30 20 CHED CCO[C@@H]1CCC[C@H]1N[C@H]1CCCCc2cc(C#N)ccc21 453425344 YNUNYNZMFJUFKE-IPMKNSEASA-N 298.430 3.873 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2cccc(C(F)F)c2)C1 617780153 PGKCMCSYRLGLJC-ZDUSSCGKSA-N 293.357 3.981 30 20 CHED C=C(C)Cn1c(S[C@H](C)CC)nnc1-c1ccncc1 268835399 XVNVRKAJOIYNBF-GFCCVEGCSA-N 288.420 3.807 30 20 CHED C=CCC1(NC(=O)N[C@H](C)C[C@H]2CCCO2)CCCCC1 458227491 RTCNTKCPSHRMDG-HUUCEWRRSA-N 294.439 3.522 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H](Cc2ccccc2)C1 539588258 KDLHZNJGLMSYPR-KRWDZBQOSA-N 270.420 3.881 30 20 CHED CC(C)c1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cn1 610933376 OLLQFHBSIKDHQQ-ZDUSSCGKSA-N 293.370 3.568 30 20 CHED CC[C@H](C)CN(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 455613782 HFPRIVXYLNXJRY-AWEZNQCLSA-N 286.419 3.631 30 20 CHED C=CCCCC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273272902 JTDAFDOXPVUOKG-HOTGVXAUSA-N 291.366 3.518 30 20 CHED C=CCC1(C(=O)N[C@H]2CC(C)(C)OC2(C)C)CCCC1 450670370 FJRRXJZLQMYIJF-ZDUSSCGKSA-N 279.424 3.585 30 20 CHED CO[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 278672771 JGWKITJLQPZAJW-VBNZEHGJSA-N 292.810 3.699 30 20 CHED CC[C@H](NCc1ccc(Cl)nc1)c1ccc(C#N)cc1 278188442 FEMOGJZYTZWLTQ-HNNXBMFYSA-N 285.778 3.848 30 20 CHED CSCCCN(Cc1ccc(C#N)cc1)CC(C)C 362465220 SWXJQVPVRKDHQU-UHFFFAOYSA-N 276.449 3.769 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCCO1 543065192 APWWSUGLTJSHBD-GFCCVEGCSA-N 298.308 3.582 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@H]1CCc2ccccc21)OCC 270019622 IMLJUOSZQNTHGL-IRXDYDNUSA-N 287.403 3.504 30 20 CHED N#CCCCC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 457054686 BROXDIQHTHSBOL-HIFRSBDPSA-N 290.794 3.786 30 20 CHED CC(C)[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@@H]1C(C)C 454206874 SQSDWBWZHNGKQT-JKSUJKDBSA-N 285.391 3.703 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc2c(c1)CCCC2=O 455719353 TZANTBLIPWSHPN-UHFFFAOYSA-N 286.375 3.539 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CC(C)(C)C#N 278432037 ZKCQCGVFQVNDFZ-LBPRGKRZSA-N 292.810 3.669 30 20 CHED C=CCCCc1nc(-c2ccc3cc[nH]c3c2)no1 547056722 JJIHGQDTIZHQRB-UHFFFAOYSA-N 253.305 3.727 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Cl)cc1OCC 466539238 GLZYMJHEGVIIPR-LBPRGKRZSA-N 281.783 3.823 30 20 CHED CO[C@@]1(C)C[C@H](Nc2ccc(C#N)c(Cl)c2)C1(C)C 467025940 VKZKSVVANHIDNY-ZFWWWQNUSA-N 278.783 3.827 30 20 CHED C=CCN(C(=O)Nc1ccc2nc(C)sc2c1)C1CC1 271320620 BWIVYPBDDDCISD-UHFFFAOYSA-N 287.388 3.787 30 20 CHED Cc1sc(Nc2ccc(C#N)cc2)nc1C1CC1 540630248 JVCVUBFOTKZMPJ-UHFFFAOYSA-N 255.346 3.944 30 20 CHED CCc1c(C)sc(NC(=O)Cc2ccc(C)o2)c1C#N 549127691 VKDRKXNTLNMKON-UHFFFAOYSA-N 288.372 3.573 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H](c2ccccc2)C1 281362295 NKBLYJCKHOSFAR-HZPDHXFCSA-N 272.392 3.540 30 20 CHED Cc1csc(NC(=O)CCCc2cccs2)c1C#N 288838989 OLCKGNBZFQLCEE-UHFFFAOYSA-N 290.413 3.951 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 288272561 HTEYZDQFKUDNPN-KRWDZBQOSA-N 287.403 3.798 30 20 CHED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@@H]1CC 460955306 BWCLZGUMZOENCZ-AWEZNQCLSA-N 299.422 3.618 30 20 CHED Cc1nc2c(s1)[C@@H](NCC(C)(C)CCC#N)CCC2 374859593 WMIWCRFNSGKAMQ-LBPRGKRZSA-N 277.437 3.749 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(-c2cccs2)no1 461794325 IPEARRJUPFLPSI-JTQLQIEISA-N 281.340 3.822 30 20 CHED C=C[C@H](CC(=O)N[C@@H](c1ncc[nH]1)C(C)C)c1ccccc1 283034097 OWCDJIQOWOIELJ-RHSMWYFYSA-N 297.402 3.583 30 20 CHED C=CC[C@H](CC)NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 466395219 JFHIADWLRVCPGC-APIJFGDWSA-N 264.413 3.704 30 20 CHED CCOC[C@@H](NCc1ccccc1C(C)(C)C#N)C(C)C 286146257 NHQBXZLZQSHDSQ-QGZVFWFLSA-N 288.435 3.638 30 20 CHED N#Cc1c(F)cccc1SCC[C@H]1CCCC1=O 559629408 XCTLUQOGHDMEKK-SNVBAGLBSA-N 263.337 3.549 30 20 CHED C#CCCCc1nc(Cc2c[nH]c3cc(Cl)ccc23)no1 288883981 IAGILBRVHXZCIF-UHFFFAOYSA-N 299.761 3.751 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCCOC1CCCCCC1 558009256 IERQQROUESPLTP-HUUCEWRRSA-N 253.430 3.916 30 20 CHED C=C(C)CCNc1cc(Cl)ccc1NC(C)=O 288778574 VZWZHDFARZKFLA-UHFFFAOYSA-N 252.745 3.677 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](Cc2ccccc2)C1 472872929 VSOOSZOSGBSDFD-KRWDZBQOSA-N 286.419 3.617 30 20 CHED CC#CCCCC(=O)NC(C)(C)c1ccc(Cl)cc1 551692205 HIEUHWWWSRKQIT-UHFFFAOYSA-N 277.795 3.885 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCC1(C)CCC(OC)CC1 475201506 IVVSFTDMTSQCJE-WXLSXGNJSA-N 253.430 3.772 30 20 CHED CCN(CC)c1ccc(/C=N\CCSC(C)C)c(O)c1 804597574 AXXWZKHUYKDHNI-ATVHPVEESA-N 294.464 3.799 30 20 CHED Cc1cccc2c1OCC[C@@H]2OC(=O)CCCCCC#N 805928559 WKBMAQZBIKVBRQ-HNNXBMFYSA-N 287.359 3.836 30 20 CHED CC(=NN[C@@H]1CCSC1)c1cc(Cl)sc1Cl 808001249 HUIQEUZAEAMVIL-SSDOTTSWSA-N 295.260 3.874 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)oc1C 557062164 TUFJJGNMXGRJHY-UHFFFAOYSA-N 295.342 3.595 30 20 CHED N#Cc1ccnc(SCC2CCCCC2)c1[N+](=O)[O-] 471057889 ZPELWUVVOYCGMQ-UHFFFAOYSA-N 277.349 3.534 30 20 CHED CC(C)[C@@H]1CN(C(=O)c2cccc(C#N)c2)c2ccccc21 470383394 QPPDOTTVAMOCLL-KRWDZBQOSA-N 290.366 3.958 30 20 CHED C#C[C@H](N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1)C(C)C 809685129 ATDBGXXFYXEUDR-YOEHRIQHSA-N 280.415 3.581 30 20 CHED CCC[C@@H](C(=O)OCCCC1(C#N)CCOCC1)C(C)C 800191853 IOQLRVMXWUOQQL-OAHLLOKOSA-N 295.423 3.702 30 20 CHED C#C[C@@H](NC(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 801545118 ZPPIYAUWDSHZJJ-MOPGFXCFSA-N 291.394 3.546 30 20 CHED CC#CCCCC(=O)N1C[C@H](C(C)C)c2ccccc21 470379189 JTDFEAKRWFPFNV-MRXNPFEDSA-N 269.388 3.966 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2ccccc2F)C1 293484718 SRWOBOLBGYPKJI-ZDUSSCGKSA-N 275.367 3.744 30 20 CHED C=CCC1(C(=O)N2CC(Cc3ccccc3)C2)CCCC1 649346305 WRWPCLKYWDIEAB-UHFFFAOYSA-N 283.415 3.824 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C(C)=C/C(C)(C)C)cc1 809258975 LHWBYVKDEUWKIK-BYIUCRAPSA-N 284.403 3.922 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](N2CCCC2)[C@H]1C 805331703 GQXJVJCTDKOEKI-SJORKVTESA-N 294.483 3.822 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(F)CCCCC1 809965768 OUVQZHQGOPBVHL-UHFFFAOYSA-N 281.396 3.935 30 20 CHED CCc1noc(C)c1[C@H](C)NCC(C)(C)CCC#N 806178417 TXJGNXQOOPHCSK-NSHDSACASA-N 263.385 3.526 30 20 CHED N#Cc1sc(NCc2cc3ccccc3[nH]2)nc1Cl 804394974 XKMYFBZCPFYRMO-UHFFFAOYSA-N 288.763 3.762 30 20 CHED C=CCc1cccc(F)c1OCc1nnc(CC)s1 643652708 QTBHAVZNERXWRW-UHFFFAOYSA-N 278.352 3.547 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)cc(C)c1F 479751574 SOAXXDQALMITCS-UHFFFAOYSA-N 286.281 3.706 30 20 CHED c1ccc2c(c1)C[C@@H]1CCC[C@H](C2)C1=NOC[C@@H]1CCOC1 807984871 WQVKPZBCZWVQGQ-OLMNPRSZSA-N 299.414 3.611 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)c(C(=O)O)c1 398065541 DPPMOVJEUUIIPJ-GFCCVEGCSA-N 290.363 3.560 30 20 CHED C=CCN(CCc1ccccc1)c1nnc([C@@H](C)CC)n1C 567201994 UIQCWIQIDPHQJO-HNNXBMFYSA-N 298.434 3.564 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc2c1OC(C)(C)C2 563155990 WKLLKWFULPAFHU-UHFFFAOYSA-N 259.349 3.551 30 20 CHED C(=NOC1CCCC1)c1conc1Cc1ccccc1 814893766 AEJXDMCXVVNQLY-UHFFFAOYSA-N 270.332 3.559 30 20 CHED Cc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C2 564428570 XXUNDNKZWJEFDM-KDOFPFPSSA-N 292.382 3.521 30 20 CHED C=CCCCCOC(=O)c1cc(F)c(F)cc1F 811008795 KLWHXDLQRWVMKO-UHFFFAOYSA-N 258.239 3.617 30 20 CHED Cc1nc(N2CC[C@H](C)C[C@@H]2c2ccco2)ccc1C#N 488065126 BRPGITMXKNYYBH-SWLSCSKDSA-N 281.359 3.832 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C)ccc2C)cc1O 811697432 DEAMUULSFYSYRY-SOFGYWHQSA-N 282.339 3.914 30 20 CHED CCC[C@@](C)(CC)C(=O)N1CCC(CCC#N)CC1 569243537 BRHBKFRNMABGHH-MRXNPFEDSA-N 264.413 3.745 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)c(F)cc1Cl 487453342 CSQVLFHUSPPRNC-SECBINFHSA-N 270.735 3.874 30 20 CHED CCN(C(=O)c1ncc(C#N)cc1C)c1ccc(Cl)cc1 814970369 LQNHVDCIHZAIIU-UHFFFAOYSA-N 299.761 3.582 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)cc1 811686914 JLSGOSJRISICAS-FLIBITNWSA-N 295.313 3.992 30 20 CHED C=C(CC)Cn1cc(-c2ccc(Cl)c(OC)c2)nn1 656452792 AABBZNQHQVHUOZ-UHFFFAOYSA-N 277.755 3.573 30 20 CHED CCC(=NOCC1CC1)c1cc(Br)ccc1O 814242132 USOLARFIRZIPBX-UHFFFAOYSA-N 298.180 3.695 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@H](C)c1nccs1 657974261 NOZPVGQAASJVDS-MGPQQGTHSA-N 264.438 3.971 30 20 CHED CC(=NNc1cc(Cl)nc(Cl)c1)[C@]1(C)CCCO1 819828648 LJBWEUFWRAKVMV-LBPRGKRZSA-N 288.178 3.745 30 20 CHED Clc1cc(NN=C2CCC[C@H]3C[C@@H]23)cc(Cl)n1 819828612 JYDOBIVOBYYPPA-IONNQARKSA-N 270.163 3.976 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCS[C@H]1C 814896040 FIZNDBSOSAGRKF-NSHDSACASA-N 271.389 3.837 30 20 CHED C=C[C@H]1CCCCN1Cc1nc(-c2ccc(CC)cc2)no1 489493990 ISAFXILXXQELCX-INIZCTEOSA-N 297.402 3.840 30 20 CHED CCN(CCc1ccccc1)C(=O)C1(C#N)CCCCC1 483096879 FSEWQSLUAMXHNS-UHFFFAOYSA-N 284.403 3.552 30 20 CHED C=CCn1cccc1C(=O)NC[C@H](C)c1ccc(C)cc1 488960525 LNLJFKHRUWDKAP-HNNXBMFYSA-N 282.387 3.516 30 20 CHED CC[C@@H](/N=C\c1c(O)cccc1OC)c1nc(C)cs1 729641798 XZLCTIRCCDMALB-VJMCZWTHSA-N 290.388 3.736 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](CCCC)C1CCC1 810514937 YWPSADIICOBYHR-GOSISDBHSA-N 283.415 3.686 30 20 CHED C=CCCn1cc(CNc2cccc(C3CCC3)c2)nn1 656119548 RYPDVIOTQFRAIF-UHFFFAOYSA-N 282.391 3.734 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ccc(C#N)c([N+](=O)[O-])c2)cc1 576708215 BPZHPSYYJLRCDK-CYBMUJFWSA-N 295.342 3.972 30 20 CHED C=C(C)CCNC(=O)N(CCC)Cc1ccccc1F 653055759 FZQKGTSCVRNHAQ-UHFFFAOYSA-N 278.371 3.714 30 20 CHED C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)NCCC#N 825720926 LWCXCZLHLFWSSJ-SECBINFHSA-N 290.716 3.793 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)Nc1cc(CC#N)ccn1 579839679 LWIVATMJNNAGMM-CQSZACIVSA-N 285.391 3.859 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1(C)C 572023767 RCVOUXQURXWPSP-LLVKDONJSA-N 289.354 3.597 30 20 CHED N#Cc1cc(F)ccc1COC(=O)/C=C/c1cccs1 728615574 HBPLCZSURXDQQB-AATRIKPKSA-N 287.315 3.515 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(OC(F)F)cc1 490032722 RGQKSGNWCOQBBK-UHFFFAOYSA-N 297.345 3.549 30 20 CHED CCC(CC)(CC)CNC(=O)CCCCCC#N 588161589 XXMPCWQAWOZJQD-UHFFFAOYSA-N 252.402 3.793 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cncn1C(C)C)CO2 901463180 HSLKLZOYJHBSLG-VGOFMYFVSA-N 296.370 3.740 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(-c3ccccc3)o2)cnn1C 588397325 RMFOSHAFWOKEDH-NTMALXAHSA-N 292.338 3.885 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(OCC#N)cc1)CCC2 732208344 YDTKNCFQHLCOBR-UHFFFAOYSA-N 292.382 3.850 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 664332818 IEMYABIQGHSUCI-LBPRGKRZSA-N 262.328 3.646 30 20 CHED CC[C@H](CC(=O)N(C)CC(C)(C)C#N)c1ccccc1 497410071 UCKZPUDKTRTZGA-CQSZACIVSA-N 272.392 3.578 30 20 CHED CCCCCN(CCCCC)C(=O)c1cccc(C#N)n1 589317799 OIBLDPINONCNRS-UHFFFAOYSA-N 287.407 3.776 30 20 CHED CCCCC[C@@H]1CCCN1c1cc(C#N)cc(C)n1 588001902 ATEZWRFFGDDVSJ-OAHLLOKOSA-N 257.381 3.811 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CC)c1cccc(Cl)c1 736399079 PRNNSWUJJJOPGJ-LBPRGKRZSA-N 287.190 3.843 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](CC)C1CC1 666687934 CPOIUFFUPQXOGF-MRXNPFEDSA-N 272.392 3.573 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3occc3s2)C1 839050859 CMKVKWRNJLPWIW-NXEZZACHSA-N 275.329 3.733 30 20 CHED CCCCCCCC[C@H](C)CC(=O)Nc1nnn(C)c1C 839943183 OZIWUUILRPCMQA-ZDUSSCGKSA-N 294.443 3.839 30 20 CHED N#CCc1cc(-c2cccc(CO[C@H]3CCOC3)c2)cs1 904796910 PGLOPEXRHAKNFK-INIZCTEOSA-N 299.395 3.787 30 20 CHED N#CCCC1CCN(c2cc(Cl)ccc2C#N)CC1 584717874 LMYLLXSQKVEEAM-UHFFFAOYSA-N 273.767 3.732 30 20 CHED CCC[C@H](C(=O)OCc1cc(C#N)ccn1)c1ccccc1 908799387 YXCJVLACXFOOID-KRWDZBQOSA-N 294.354 3.580 30 20 CHED C=CCc1ccc(OC(=O)C(F)(F)CC=C)c(OC)c1 839219657 NKSCMNXOFBITEF-UHFFFAOYSA-N 282.286 3.541 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cccc(C(=O)O)c1Cl 588559650 VQRPKFNWAHGYSM-WAYWQWQTSA-N 290.702 3.836 30 20 CHED C#CC[C@H](NC(=O)C1=CC[C@H](C)CC1)c1ccccc1 836779603 HESARVOYEOUVHQ-YOEHRIQHSA-N 267.372 3.614 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1nc(C)cc(C)n1 731922826 NPHNUIQUTURMBF-UHFFFAOYSA-N 282.391 3.822 30 20 CHED C=CCCCCCCCNC(=O)NCc1cc(C)ccn1 836461718 DROALNNSQYWYFB-UHFFFAOYSA-N 289.423 3.716 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NOC(C)C 834999701 DQBCHUKQQIDDNX-GOEBONIOSA-N 261.365 3.750 30 20 CHED CCCC1CCC(=NNc2nccnc2Cl)CC1 733080310 JGPJXVALXMPHSH-UHFFFAOYSA-N 266.776 3.888 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1cccc(C#N)c1 588795175 SWUDYZZXGLWTBQ-PBHICJAKSA-N 298.430 3.774 30 20 CHED Cc1ccc(C(=O)OCc2ccc(OCC#N)cc2)cc1C 733393116 CYBBMNPXYQIVCP-UHFFFAOYSA-N 295.338 3.563 30 20 CHED Clc1ccccc1-c1ccc(C=NNc2cccnn2)o1 735974646 IVLGWKFTJONTJV-UHFFFAOYSA-N 298.733 3.836 30 20 CHED C=CCC1(C(=O)OCc2cc(C)ccn2)CCCC1 838277509 ACWQCOVWXTXYGU-UHFFFAOYSA-N 259.349 3.570 30 20 CHED N#CC[C@@H](CC(=O)OCC1CC(F)(F)C1)c1ccccc1 835486675 CCACURUBHAGUHV-AWEZNQCLSA-N 293.313 3.662 30 20 CHED C=CCSc1ccccc1C(=O)O[C@H]1CCOC[C@@H]1C 835772677 MGRSZUJQLYKPOW-JSGCOSHPSA-N 292.400 3.547 30 20 CHED CCCCCCCCOC(=O)c1cc(C(C)=O)cn1C 918492374 JQORMOBMGTYITK-UHFFFAOYSA-N 279.380 3.745 30 20 CHED C=C(Cl)COC(=O)[C@H](CCC)c1ccccc1 916620024 LRPPKDMCNWYZBU-CYBMUJFWSA-N 252.741 3.866 30 20 CHED C=CC(C)(C)COC(=O)c1cnc(-c2ccccn2)s1 835725237 XKZNLOWAASIDSF-UHFFFAOYSA-N 288.372 3.574 30 20 CHED C=C(C)CNc1ccc(NC(C)=O)cc1C(F)(F)F 913068029 MAYBHQCWCDVFKN-UHFFFAOYSA-N 272.270 3.652 30 20 CHED C=C(C)COC(=O)CCOc1ccc2ccccc2c1 914911584 DLBCVEGPDLIWQB-UHFFFAOYSA-N 270.328 3.728 30 20 CHED C=C(CNc1cc(C(F)(F)F)nc(C)n1)c1ccccc1 673461763 VNEXPUOZNLNQPW-UHFFFAOYSA-N 293.292 3.929 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C(C)C 745874841 FVRKXZFTAKTSLY-RRFJBIMHSA-N 264.413 3.561 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 741845675 VIEUCVCOPHQGGB-UUMQHJJASA-N 288.347 3.688 30 20 CHED C[C@H](NCCCC1CCC1)c1ccc(C#N)cc1F 595078713 AFHNDOBWXGYATB-LBPRGKRZSA-N 260.356 3.928 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1cc[nH]c1C(C)C 845526322 UVKCJKUCQKFNSJ-INIZCTEOSA-N 279.380 3.524 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 590031414 XGYHVCIGRKWROT-UHFFFAOYSA-N 295.766 3.667 30 20 CHED C/C(=C\C(=O)O[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 748396946 YQHHTDMYKPWMRZ-TTZKWOQHSA-N 283.249 3.564 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC1(C)C 594040261 YWEBXPCCFPXHIX-RHSMWYFYSA-N 298.430 3.679 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC1(SC)CCOCC1 595028791 VHASLDHPXWEMIF-CABCVRRESA-N 283.481 3.623 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc(C2CCCC2)no1 594534456 ZCGFQPLLOBKODY-LBPRGKRZSA-N 281.359 3.945 30 20 CHED Cc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1C 593934297 MKIAMHSGVWCCHK-OAHLLOKOSA-N 292.382 3.992 30 20 CHED C[C@](C#N)(NC(=O)/C=C/C1CCCC1)C1CCCCC1 843567714 FNOPWXVQUXLPGS-FMQWLBJXSA-N 274.408 3.712 30 20 CHED CCS[C@@H]1CCCC[C@@H]1N[C@H](C#N)c1ccccc1 595449678 PMAKKXRHZYURRZ-ARFHVFGLSA-N 274.433 3.905 30 20 CHED Cn1cccc1C=NNc1ccc(Cl)cc1Cl 916338126 ICGLEJFJUDUNDO-UHFFFAOYSA-N 268.147 3.778 30 20 CHED CCCN(C(=O)CC1(C#N)CCCCC1)C(C)(C)C 598824901 ZUSQBNFPDGNYQT-UHFFFAOYSA-N 264.413 3.888 30 20 CHED C=CCN(C(C)C)S(=O)(=O)c1ccc([C@H](C)CC)cc1 917657445 RBXXFQDZJCWXJD-CQSZACIVSA-N 295.448 3.785 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(CC2(C#N)CC2)n1 590285395 YYYPPTCFSANVKI-VXGBXAGGSA-N 259.353 3.600 30 20 CHED C=C(C)CCOC(=O)c1ccccc1OC1CCC1 744303553 HQDZXUIASLCSAI-UHFFFAOYSA-N 260.333 3.741 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H]1CCCc2cccnc21 845645348 VYYQEPKWXSXAOI-ZDUSSCGKSA-N 259.349 3.605 30 20 CHED C#CCOc1ccc(C(=O)N(C(C)C)C2CCCCC2)cc1 741548838 DZVYQEUVULTDKU-UHFFFAOYSA-N 299.414 3.882 30 20 CHED CCc1ccc([C@H](C)NC(=O)N2CCC[C@H](CC#N)C2)cc1 595425510 FWMSDWJFAAXTGJ-GOEBONIOSA-N 299.418 3.645 30 20 CHED C[C@H](CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)C1CC1 842941243 HPBIRRRTIXEMMS-SKDRFNHKSA-N 274.389 3.633 30 20 CHED CCCN(C(=O)C1=CCC1)c1cc(Cl)ccc1C#N 598808612 FXQDBGONINOABQ-UHFFFAOYSA-N 274.751 3.675 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1 748998089 JSVLXOHFSMBOAE-OQFOIZHKSA-N 286.762 3.697 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1scnc1C 920382733 MZZNTKBAGNOMOR-SNVBAGLBSA-N 259.378 3.526 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1coc(C)n1 681579327 RHHHOYWAMFLGOS-UHFFFAOYSA-N 296.779 3.526 30 20 CHED COCCOCc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 926768106 WKFXBIFXRQLCIL-AWEZNQCLSA-N 290.407 3.590 30 20 CHED Cc1cc(F)ccc1C=NNc1cc([N+](=O)[O-])ccc1C 750936368 CRIKYRUNDMVODP-UHFFFAOYSA-N 287.294 3.797 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C#CC(C)C 854254127 DBUQTIORMKSCSG-UHFFFAOYSA-N 281.808 3.576 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(Cl)c2F)c1 920944480 MNVQZYCBSCLYTQ-UHFFFAOYSA-N 294.669 3.844 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCOc2ccccc21 924880880 DILPRAVMGBLNNM-UKRRQHHQSA-N 272.392 3.818 30 20 CHED C[C@@H]1Cc2cc(COC(=O)C3(C#N)CCCCC3)ccc2O1 851365836 FDMHCRKPXLQXDM-CYBMUJFWSA-N 299.370 3.527 30 20 CHED Clc1ccc([C@H]2CCCC2=NNC2CCOCC2)cc1 757599633 SXGSLEXYLHNGPC-OAHLLOKOSA-N 292.810 3.732 30 20 CHED N#Cc1ccc(C(=O)OC[C@@H]2CCCc3ccccc32)s1 750395169 MZHQIBYBWCTYBF-ZDUSSCGKSA-N 297.379 3.897 30 20 CHED N#Cc1cccc(CNc2ccc3c(c2)[C@H](O)CCCC3)c1 850362264 GTKOBZNZCLPMGF-LJQANCHMSA-N 292.382 3.930 30 20 CHED C#CCN(C(=O)Nc1ccc(C)cc1Cl)C(C)C 929159298 RGCUTSDDKFMDBU-UHFFFAOYSA-N 264.756 3.524 30 20 CHED C#CC[C@H](/N=C\c1ccc(OCC)cc1O)c1ccccc1 756847429 SGSHENCXHRJPAZ-HJHGFDQJSA-N 293.366 3.974 30 20 CHED CCCCCCCCCCN1CC[C@@H](C)[S@@](=O)CC1 759871772 WOYAOFQCYFUSOL-APWZRJJASA-N 287.513 3.970 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(OCC)cc1)c1ccccc1 757596640 ITJFEWKTXSCUQT-GOSISDBHSA-N 293.366 3.580 30 20 CHED C=CCCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 757106339 FNQNTPLLPOPNQU-HUUCEWRRSA-N 296.455 3.578 30 20 CHED CCCC[C@@](C)(F)C(=O)[C@H](C#N)c1nc(C)cs1 850737369 UJIOLWRBGKEZGO-GXFFZTMASA-N 268.357 3.546 30 20 CHED Cc1nn(C)c(Cl)c1/C=C/C(=O)c1cc(F)cc(F)c1 755703412 APJDBIRIYAOCNV-ONEGZZNKSA-N 296.704 3.556 30 20 CHED C/C=C/C=C/C(=O)N1CCCSC1=Nc1ccccc1 859323299 ZCAKOIZSAKENAO-QYWPKESYSA-N 286.400 3.772 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N(CC#N)C1CCCC1 933245837 KLVVZRDAGYLQQB-UHFFFAOYSA-N 288.391 3.794 30 20 CHED C[C@@H](CC(=O)OCc1cc(F)ccc1C#N)c1ccccc1 759347423 VBNIHLUPTMHHPW-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED CCOC(=O)c1ccc(/C=C2\Cc3cc(C)ccc3C2=O)o1 751514788 PGTZAHCMKONHCD-JLHYYAGUSA-N 296.322 3.587 30 20 CHED CC(C)Cc1ccc(/C=C2\CCc3c(cnn3C)C2=O)cc1 755701651 VJKPMXXXKRFYCO-LFIBNONCSA-N 294.398 3.831 30 20 CHED CCSCCS[C@H](C#N)Cc1ccccc1 760512952 JJEBURMVPDMIHK-ZDUSSCGKSA-N 251.420 3.608 30 20 CHED C=CCCC(=O)CSc1nnc(-c2ccccc2)s1 762498759 BVOQTCFIZVTMSK-UHFFFAOYSA-N 290.413 3.833 30 20 CHED c1ccc(COCCCNN=C2CC[C@@H]2C2CCC2)cc1 863177027 FIKKPGRSWIRIIM-QGZVFWFLSA-N 286.419 3.749 30 20 CHED COc1cc(C#N)ccc1COC(=O)C1CCCCCC1 766889862 XUSNSIZMGGFAFR-UHFFFAOYSA-N 287.359 3.580 30 20 CHED O=C1c2ccccc2CCN1N=Cc1ccccc1C1CC1 769591495 AINANASARUSKNH-UHFFFAOYSA-N 290.366 3.596 30 20 CHED CCOc1ccc2ccccc2c1C(=O)N[C@@H](CC)CC#N 935401016 QYMACDOQFUWOBE-AWEZNQCLSA-N 296.370 3.661 30 20 CHED COc1ccsc1C=NNc1cccc2cnccc12 764686728 KNKGEZGVDCMPAP-UHFFFAOYSA-N 283.356 3.751 30 20 CHED CCc1ccc(C=NOCc2ccc(Cl)cn2)cc1 767535210 QIIJFBYXHUVREO-UHFFFAOYSA-N 274.751 3.848 30 20 CHED Cc1cc(OC(=O)c2ccc(F)c(F)c2F)ccc1C#N 765112701 GCHXNUMAUZNYIZ-UHFFFAOYSA-N 291.228 3.503 30 20 CHED C[C@H](CCC#N)N1CCC(c2nc3c(s2)CCC3)CC1 932619691 RPMVEORHGQTGQK-GFCCVEGCSA-N 289.448 3.503 30 20 CHED CC(=NNc1ccnc(Br)c1)c1ccsc1 769817944 ZRRAXJFECIAJHB-UHFFFAOYSA-N 296.193 3.742 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(C)c(C(F)(F)F)c1 860694674 KWVSVHRAKKJARD-NSHDSACASA-N 285.265 3.863 30 20 CHED FC(F)(F)c1sccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 863104359 CLJNRVZJQCGCQH-QXEWZRGKSA-N 288.338 3.879 30 20 CHED N#C[C@@H](C(=O)CCCCCc1cccs1)c1ccncn1 760353776 RNLYZBFOFMDVRW-CQSZACIVSA-N 299.399 3.517 30 20 CHED C=CCC1(C(=O)OCCCCC(C)(C)C#N)CCC1 768894916 XHDWSAXVLGAJQG-UHFFFAOYSA-N 263.381 3.996 30 20 CHED Cc1ccc(SCC(=O)[C@H](C#N)c2ccccc2)cc1 864239652 FZFZRDKWKKTEMC-MRXNPFEDSA-N 281.380 3.964 30 20 CHED C#C[C@@H](OC(=O)c1sc(C)nc1-c1ccccc1)C1CC1 767518808 MBOUARCQXUZHBP-CQSZACIVSA-N 297.379 3.687 30 20 CHED Cc1ccc(C=NNc2c(F)cccc2Cl)o1 769827951 AWAXTAQMWOHTDA-UHFFFAOYSA-N 252.676 3.827 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H]1C[C@@H](O)c1cccs1 876802106 BNAUCGYXGGKINA-RBSFLKMASA-N 292.448 3.576 30 20 CHED C[C@H]1CCc2nc(C=NNc3ccc(C#N)cc3)sc2C1 1117742010 ISUAJDRGJIIPDV-NSHDSACASA-N 296.399 3.586 30 20 CHED C#CCN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C 774373344 YFWWOEFCEFZIDN-CYBMUJFWSA-N 255.283 3.625 30 20 CHED COC(=O)c1ccccc1NN=Cc1ccccc1C1CC1 776187645 WDJUGHIQGJXWIO-UHFFFAOYSA-N 294.354 3.797 30 20 CHED C#CCCOc1ccc(CNc2cnccc2SC)cc1 772944964 CVFDKQJRYIPJPT-UHFFFAOYSA-N 298.411 3.818 30 20 CHED c1ccc(CON=C2CCCNc3ccccc32)cc1 774373317 XYZOOQWIPAUWHZ-UHFFFAOYSA-N 266.344 3.813 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(CC2(CC#N)CC2)C1 878612370 KUOHYSBYUUEIFW-GOEBONIOSA-N 254.377 3.763 30 20 CHED Cc1[nH]c2c(C(=O)OCCC(C)(C)C#N)cccc2c1C 776372967 RSBMDVPNMPUSSF-UHFFFAOYSA-N 284.359 3.881 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(c2cccc(N)c2)CC1 884345802 PFGYNVZBGSLAII-UHFFFAOYSA-N 286.419 3.577 30 20 CHED CC(C)(C(=O)OCCCC#N)c1ccc(C(F)(F)F)cc1 884782788 SWMVYXVCIUHECU-UHFFFAOYSA-N 299.292 3.830 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(C#N)n1 1125575301 DDHSPRKUNHIVPB-HIFRSBDPSA-N 299.418 3.536 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2ccon2)cc1 886955688 FCEURGKACISSMT-INIZCTEOSA-N 270.332 3.882 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CCC12CCCC2 788722287 OLFOXYHPYJWQNG-UHFFFAOYSA-N 288.347 3.516 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C/c1ccccc1F 787945872 XWSYUNSOSJCSFZ-ZHACJKMWSA-N 288.366 3.770 30 20 CHED C[C@H](OC(=O)/C=C\c1ccc(O)cc1)c1ccc(C#N)cc1 782439270 HWXIODPEZDGOOK-GXJZLWQJSA-N 293.322 3.581 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccccc1C(=O)O 783817362 SEIWQYPPGRDFND-VXGBXAGGSA-N 260.337 3.609 30 20 CHED CCCCc1nc(CNc2ccc(C#N)cc2Cl)no1 268997640 XEOSFMIJNMIOSN-UHFFFAOYSA-N 290.754 3.549 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2nc(O)c3ccccc3n2)C1 783854813 CJDCAWCXIRUWRV-OLZOCXBDSA-N 298.390 3.950 30 20 CHED Cc1cccc([C@H](C)CNC(=O)c2cc(C#N)ccc2C)c1 1126438151 RZUQQALQABDCFF-OAHLLOKOSA-N 292.382 3.709 30 20 CHED C=CC(C)(C)CC(=O)O[C@H]1C[C@@H](C)C(=O)C(C)(C)C1 893129991 ODASCQRVEWIAEY-NEPJUHHUSA-N 266.381 3.526 30 20 CHED CC[C@H](CC#N)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786514879 ZJDIPHUGYQQHIU-QWHCGFSZSA-N 284.359 3.897 30 20 CHED Cn1ncc(Cl)c1/C=C1\Cc2ccc(Cl)cc2C1=O 780187216 UDNTTZBMDNMNQQ-WEVVVXLNSA-N 293.153 3.549 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(Cl)ccc1O 787311574 VRRXMLYCNJNPFC-ZDUSSCGKSA-N 251.757 3.586 30 20 CHED CC(C)c1nccnc1NN=CC(C(C)C)C(C)C 789055753 ZQLXVLQNKGRLMJ-UHFFFAOYSA-N 262.401 3.926 30 20 CHED Cc1cc(N2CCC(c3ccc(C#N)cc3)CC2)ccn1 896864997 QNBBVGGRANIMBI-UHFFFAOYSA-N 277.371 3.646 30 20 CHED N#Cc1csc(C(=O)OC[C@H]2CCc3ccccc3C2)c1 781662841 FMXIBFQFAZATBH-LBPRGKRZSA-N 297.379 3.582 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ncncc1Cl 780282114 CPLSHIMDPNFLFL-WDEREUQCSA-N 264.760 3.520 30 20 CHED CC(=O)c1ccc(Cl)cc1OCc1ccc(C#N)cc1 1473047230 NHPKOKBDQZHBKM-UHFFFAOYSA-N 285.730 3.993 30 20 CHED Cc1cc(C=NN[C@H]2CCCC2(C)C)cc(Cl)n1 782286369 JBZDITLJDUBGFP-LBPRGKRZSA-N 265.788 3.546 30 20 CHED C=C1CCC(C(=O)N(OC)[C@@H](C)c2csc(C)n2)CC1 897890466 DKCZESODECXFCC-NSHDSACASA-N 294.420 3.649 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)C(C)C 798553369 YGRXKAZXLUEDAQ-ZWKOTPCHSA-N 298.430 3.624 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](c2ccncc2)C2CC2)C1 898999772 DUOYYEFZZARNCL-WMLDXEAASA-N 299.418 3.530 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cc(Cl)ccc1O 793160429 AICQMVDWHMPDMD-UHFFFAOYSA-N 296.157 3.930 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(OCC#N)c1 793087142 FDLUEXYEIFHQNL-CZUORRHYSA-N 286.375 3.744 30 20 CHED Cc1cc(C)c(C=NNc2ncccc2F)c(C)c1 794992778 DIFIQWHDZHSSJE-UHFFFAOYSA-N 257.312 3.592 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)c1n[nH]c(CC)n1 793548750 VERPDHJANIKVDR-OLZOCXBDSA-N 264.417 3.543 30 20 CHED Cc1cc(-n2ccnc2)ccc1CN(CCC#N)CC(C)C 792231823 PHJVTBDQGLGJJA-UHFFFAOYSA-N 296.418 3.552 30 20 CHED C=C(C)CN(CC)Cc1ccc(Br)cc1C#N 562874434 QDISXMYOANYCDY-UHFFFAOYSA-N 293.208 3.719 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1C#N 799299442 INLQSFFFAWKMHK-UHFFFAOYSA-N 295.729 3.644 30 20 CHED CC[C@@H](CNC(=O)c1ccc(C)c(C#N)c1)c1ccccc1 799298740 IRTXXCPELIFRTH-HNNXBMFYSA-N 292.382 3.790 30 20 CHED Cc1ccccc1C[C@H](NCc1ccc(C#N)cc1)C1CC1 793524086 JTVLNOCSHKFMMO-FQEVSTJZSA-N 290.410 3.978 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccccc1Oc1cccc(C)c1 799377120 ZUUWPHZOVLOISA-OAHLLOKOSA-N 293.366 3.881 30 20 CHED CCCCCCC[S@](=O)Cc1ccc2c(c1)OCO2 794915090 OCVIYXJUGLHWHD-IBGZPJMESA-N 282.405 3.634 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1cc(C(=O)O)sc1C 692255087 RASCGYFCTZHOLP-GXTWGEPZSA-N 293.432 3.979 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)cc1Cl)C1CC1 769738036 ZQHDAUNLZQDYSN-VIFPVBQESA-N 262.740 3.586 30 20 CHED CCOc1cc(C)ccc1NCc1cc(C#N)cs1 93687340 RURYGDBTEHJBAR-UHFFFAOYSA-N 272.373 3.939 30 20 CHED N#Cc1cc(F)ccc1NCc1ccc2c(c1)CCC2 97635449 QAMOGFIMZKSMQB-UHFFFAOYSA-N 266.319 3.798 30 20 CHED Cc1nsc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1C#N 1306949781 UGQHBPDLBZFRNC-GHMOJZLGSA-N 273.405 3.560 30 20 CHED Cc1cc(C#N)ccc1CN1CCCc2c(F)cccc21 1167567461 GSGCHPFRMOUBEF-UHFFFAOYSA-N 280.346 3.959 30 20 CHED CC[C@H](CC#N)Nc1cc(-c2cccc(Cl)c2)ncn1 1161056115 ZWZPNAALLJOEPS-CYBMUJFWSA-N 286.766 3.901 30 20 CHED N#Cc1ccc(CNCc2cscc2Cl)cc1F 1621393561 ZVTQHEPAYBZNKG-UHFFFAOYSA-N 280.755 3.702 30 20 CHED C=C(C)CCNC(=O)C(F)(F)c1ccc(Cl)cc1 1328150819 IWFQHLWRHCWMIJ-UHFFFAOYSA-N 273.710 3.514 30 20 CHED Cn1ccc(NN=C2CC[C@H](c3cccc(Cl)c3)C2)n1 1325668566 VSNKIUVSHPKKIE-LBPRGKRZSA-N 288.782 3.809 30 20 CHED N#CCn1c(-c2nnc(C3CCCC3)o2)cc2ccccc21 1326250631 KDXPSNOZKOOYJR-UHFFFAOYSA-N 292.342 3.872 30 20 CHED CC(C)Oc1cccc(/C=C/c2cc(C#N)ccn2)c1 1321003344 DQYKLTMLTXEHNF-VOTSOKGWSA-N 264.328 3.911 30 20 CHED CCOc1ccc2ccccc2c1C(=O)N(C)[C@@H](C)CC#N 1338415652 WCZFYIXIIXJXMG-ZDUSSCGKSA-N 296.370 3.613 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2c(OC)cccc2[nH]1 1336761166 XULLUQVDTMZHMB-CYBMUJFWSA-N 298.386 3.747 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1nc(C)cs1 1339886630 VWRPTAYRPBDPSB-STQMWFEESA-N 293.436 3.653 30 20 CHED C[C@@H](Nc1cccc(CC#N)n1)c1ccccc1Cl 1255756025 MTIXXSDIUGTXOR-LLVKDONJSA-N 271.751 3.974 30 20 CHED C=CCC[C@H](NCc1c(C)cnn1COC)c1ccccc1 1334097214 NNWXNSAULUKLKK-KRWDZBQOSA-N 299.418 3.593 30 20 CHED C=C[C@@H](COC)NC(=O)[C@H](CCC)c1cccc(Cl)c1 1335169576 JCQWQUWVYYEZCE-LSDHHAIUSA-N 295.810 3.541 30 20 CHED C[C@H](C#N)N(CCc1ccc(OC(F)(F)F)cc1)C1CC1 1333618651 ZXHUFVRCGYAPHU-LLVKDONJSA-N 298.308 3.504 30 20 CHED CCCC1CCN(c2ccc(Cl)c(C#N)n2)CC1 1330678702 UOKBPJOLXWUBCH-UHFFFAOYSA-N 263.772 3.623 30 20 CHED N#Cc1ccc(CCN(Cc2cccc(F)c2)C2CC2)cc1 1190417480 IXHDOTQRIPMYSE-UHFFFAOYSA-N 294.373 3.904 30 20 CHED O=C(OCCC(F)(F)C(F)(F)F)[C@H]1CCC(F)(F)C1 1263610110 FMIDUMDLTQZTJK-LURJTMIESA-N 296.182 3.553 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CCC[C@H]1CC 1342878847 APHMAZDHMLBBMB-QWHCGFSZSA-N 294.468 3.657 30 20 CHED N#Cc1ccccc1OCc1nnc(/C=C\C2CCCC2)o1 1261573333 QQNXIGUKEGDADO-KTKRTIGZSA-N 295.342 3.724 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CC(C)(C)C[C@H]1C 1340532117 VLEPUEMLUNUXHG-VXGBXAGGSA-N 294.468 3.513 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1cc(COC)cs1 1263572358 NXOIHOGFMDHIPL-NSHDSACASA-N 268.378 3.540 30 20 CHED C[C@H](Nc1nc(C(C)(C)C)ns1)c1cccc(C#N)c1 1353041982 AEFKMAGOYVOEAV-JTQLQIEISA-N 286.404 3.880 30 20 CHED Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(F)c1F 1355888550 NHFNUQZWYVXMMU-UHFFFAOYSA-N 286.281 3.592 30 20 CHED C=C(C)CCC(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1 1353766803 QGADYPZKTVQLRA-ZDUSSCGKSA-N 287.281 3.577 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCC[C@@H]1CC 1507855724 VBSTWVKPKPBASH-LBPRGKRZSA-N 282.819 3.533 30 20 CHED CC(=O)c1cccc(OCc2ccc(CC#N)cc2)c1F 1459248195 LRRGMJXYRJIOJP-UHFFFAOYSA-N 283.302 3.673 30 20 CHED Cc1cc(C)c(C(=O)OCc2ccc(CC#N)cc2)s1 1520641610 ZCRHUQYHTCAIPE-UHFFFAOYSA-N 285.368 3.788 30 20 CHED N#Cc1ccc(C(=O)Oc2cnc3ccc(Cl)cc3c2)o1 1460015495 BJNFLLZNRSRXSG-UHFFFAOYSA-N 298.685 3.572 30 20 CHED CS[C@H](C(=O)Nc1sccc1C#N)c1ccccc1 1529948193 DBFLHKCBUIPQNC-LBPRGKRZSA-N 288.397 3.663 30 20 CHED CCCC[C@H](Sc1cc(C)cc(F)c1C#N)C(=O)O 1605251165 PLDOYZOODDSJPJ-LBPRGKRZSA-N 281.352 3.741 30 20 CHED C#Cc1ccc(CNc2ccc(C[C@@H](C)C(=O)O)cc2)cc1 1602738441 AUAAAUTUZFTYGK-CQSZACIVSA-N 293.366 3.543 30 20 CHED CSc1cc(C(=O)Nc2cc(F)cc(C#N)c2)c(C)o1 1544396639 BHXYZYMLSGYBFZ-UHFFFAOYSA-N 290.319 3.573 30 20 CHED CC(C)(CNC(=O)[C@@H](CC#N)c1ccccc1)C1CCC1 1543566543 JMHYDAHCJBZBCQ-INIZCTEOSA-N 284.403 3.626 30 20 CHED C=C(CC)C(=O)N1C[C@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 1548702672 YIUIAZBHUGEHEB-XIRDDKMYSA-N 269.388 3.952 30 20 CHED N#Cc1cccc(C2(NC/C=C\c3cccc(F)c3)CC2)c1 1620933420 RPLHPLPDFOREKL-UTCJRWHESA-N 292.357 3.989 30 20 CHED N#Cc1cc(C(=O)Nc2ccccc2-c2ncco2)cs1 1623344287 BSRBLVTWMBDXSD-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1nc(N(C)C[C@H](C)C2CCCCC2)ccc1C#N 1640262993 XQIRNHRRTHWPDK-ZDUSSCGKSA-N 271.408 3.914 30 20 CHED Cc1ccnc(N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c1C#N 1640036136 MJZWPIGMEMLNMH-XBFCOCLRSA-N 257.381 3.888 30 20 CHED Cn1c(CNc2cccc(CC#N)c2)cc2ccccc21 1651090789 DBWDZTBEJUAXRM-UHFFFAOYSA-N 275.355 3.856 30 20 CHED Cc1csc(NC(=O)c2cccc(F)c2C)c1C#N 1587029250 KOJIKVGNQHFJAS-UHFFFAOYSA-N 274.320 3.628 30 20 CHED C=CCN(Cc1cc(C(=O)O)cs1)c1ccccc1 1588829178 HGFINLQKJKPEES-UHFFFAOYSA-N 273.357 3.639 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCF 1597297064 XBHJAYUATZVEPU-UHFFFAOYSA-N 298.317 3.957 30 20 CHED C[C@@H]1CCC[C@@H](NCc2cccc(F)c2C#N)CC1 1664315634 KMFSGESLBMTNBP-TZMCWYRMSA-N 260.356 3.756 30 20 CHED CS[C@@H]1CCCCN(CCCC(C)(C)C#N)C1 134550057 WSSVTEHMUVXHNG-CYBMUJFWSA-N 254.443 3.534 30 20 CHED CCC(=NNc1ccccc1C(=O)O)c1ccsc1 1776030733 JTQGEYBQXJTWCE-UHFFFAOYSA-N 274.345 3.673 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1C(=O)O 1776131691 ZCQZHBAXMKVKAA-RUDMXATFSA-N 284.286 3.728 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(C#N)c1 161221057 IOYPHHPNWLRVRL-GOEBONIOSA-N 270.376 3.599 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(F)c1)c1ccc(C#N)cc1 152306976 BWHPMKWPZOURKG-CYBMUJFWSA-N 296.345 3.854 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C=C2CCC2)cc1 153336893 QNMSTNYALYTLJV-INIZCTEOSA-N 282.387 3.775 30 20 CHED CCCCCCCOc1ccc(N(C)C(N)=O)cc1 153545615 VVWJZFUUTUMMPG-UHFFFAOYSA-N 264.369 3.551 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(OCC(C)C)c1 157217708 ZCJSOZFLMQYNAG-ZDUSSCGKSA-N 289.379 3.535 30 20 CHED CCOC(=O)CCCSc1ccc(C#N)cc1Cl 154181074 MEZMGTJBNMPJDR-UHFFFAOYSA-N 283.780 3.647 30 20 CHED CC(C)(C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 157874022 SQOVNOPLRKDRPP-JTQLQIEISA-N 285.174 3.720 30 20 CHED CC(=O)Nc1ccccc1OCC#Cc1cccc(Cl)c1 159131350 QOYDVPYNNYZKPN-UHFFFAOYSA-N 299.757 3.729 30 20 CHED CC[C@H]1CCCN(Cc2ccc(C#N)cc2C)CC1 165486593 IQEUQGIXGOCGQA-HNNXBMFYSA-N 256.393 3.879 30 20 CHED CC(C)n1ccc(N[C@H](C)c2ccc(C#N)cc2)n1 280998772 NUQGOZGJHHJIGO-GFCCVEGCSA-N 254.337 3.509 30 20 CHED CCc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 174429754 DZGTYGBVJDQOLC-CQSZACIVSA-N 264.372 3.971 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(SC(F)F)c1 285253941 INNSSKLKHRBFLX-ZDUSSCGKSA-N 284.331 3.880 30 20 CHED CCCCCC[C@@H](C)NC(=O)Cc1ccc(C#N)cc1 70159018 FEGDLIKCTQBYSQ-CQSZACIVSA-N 272.392 3.576 30 20 CHED C#CCCCNc1cc(F)cc(F)c1Br 308880839 PXIIIASGWSWVSH-UHFFFAOYSA-N 274.108 3.553 30 20 CHED C=CCCCN[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 309856160 DGPFGKCUVSYSHV-AWEZNQCLSA-N 296.455 3.578 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 585709468 GDGGZARXWVDWTI-SECBINFHSA-N 250.729 3.586 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)[C@@H]2CCC[C@@H]21 378824235 GSADQFCXEPTATI-GOEBONIOSA-N 272.367 3.708 30 20 CHED C=CCCSCCN[C@@H](C)c1cccc(NC(C)=O)c1 595059880 QWCAICDGXRLNSS-ZDUSSCGKSA-N 292.448 3.605 30 20 CHED CCCC[C@@H](C)N(C)Cc1ccc(C#N)c(OC)c1 382466493 DEMVIJRMUABYSO-CYBMUJFWSA-N 260.381 3.577 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@H](C)CC 783871096 BMKVZSZIZFIBJY-CQSZACIVSA-N 261.365 3.569 30 20 CHED C#CCN(Cc1ccccc1)Cc1cnc2ccccc2c1 796633981 WKXCRPPSSWKBLW-UHFFFAOYSA-N 286.378 3.870 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1C 348931369 AYFREDQZRZWTMS-JMSVASOKSA-N 271.364 3.504 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 177865666 LLPBZQGWGWMMFP-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED C=CCCCS[C@@H]1CCN(c2ccccc2F)C1=O 117944482 BBVQBBKPYVRFBC-CQSZACIVSA-N 279.380 3.630 30 20 CHED C=CCCCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 175724619 ALEABDQKMBQGSB-HNNXBMFYSA-N 275.367 3.573 30 20 CHED Cc1ccc(C(=O)COc2ccc(C#N)c(F)c2)cc1C 113649898 PQQKODVTHAUMTG-UHFFFAOYSA-N 283.302 3.576 30 20 CHED CC(C)[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 172087941 IXWAVUYJOLNTDA-YPMHNXCESA-N 299.399 3.673 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C)ccc1C 106421775 JLCNKYPZVAOEOD-UHFFFAOYSA-N 272.392 3.896 30 20 CHED Cc1ccc(SCC(=O)N(CC#N)c2ccccc2)cc1 21325814 HENUSMBLVXWZOX-UHFFFAOYSA-N 296.395 3.644 30 20 CHED C=CCCCSCCC(=O)Nc1cccc(OC)c1 173828432 XSPUESWDKRKMBB-UHFFFAOYSA-N 279.405 3.723 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2cccc(C#N)c2)c1 116609258 MIDAXNMVFRCQIP-SOFGYWHQSA-N 265.287 3.902 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)c1ccc(C#N)cn1 301350143 VMWRBMOMRRNNMF-GFCCVEGCSA-N 285.778 3.674 30 20 CHED CCC1CCC(CNC(=O)c2cccc(CC#N)c2)CC1 68796492 XLTLBSYIHPTSEV-UHFFFAOYSA-N 284.403 3.699 30 20 CHED C/C(=C\C(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 176592652 BQOMFDDNMCEBMG-ABDJAZHISA-N 282.387 3.679 30 20 CHED C=CCSCCNc1ncnc2sc3c(c12)CCC3 301080693 IBUZRHPFIWGNAU-UHFFFAOYSA-N 291.445 3.511 30 20 CHED C=C(CC)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 1348751147 WQMVQGQZDSWFRK-DGCLKSJQSA-N 283.293 3.644 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@H]1CCSC1)c1cccs1 1345146878 JKYCDCOQLCXXQC-MDZLAQPJSA-N 295.429 3.635 30 20 CHED CCc1cccc(C)c1NC(=O)N(CCC#N)CC1CC1 176768026 JWCXJFLGNOZEKN-UHFFFAOYSA-N 285.391 3.715 30 20 CHED N#Cc1ccc(F)cc1CSCc1nccn1C(F)F 177684459 UDHAFPLVTFNQLB-UHFFFAOYSA-N 297.305 3.722 30 20 CHED CNC(=O)c1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1 121789014 ULDRBOYCZTZIFP-DHZHZOJOSA-N 293.366 3.559 30 20 CHED C=C(Br)COc1ccc2ccccc2c1C=O 37681543 RCCMPOATAZXLAZ-UHFFFAOYSA-N 291.144 3.940 30 20 CHED CC[C@@H](C)[C@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301750532 IHWFCGRNQQKOLU-MNOVXSKESA-N 298.346 3.861 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@](C)(C#N)CCc1ccccc1 186853347 WRKYFTDKZQUNCT-SUMDDJOVSA-N 298.430 3.844 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccccc1 414090549 KQFDNFRNOOTXMU-WMLDXEAASA-N 269.392 3.778 30 20 CHED N#CC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 123694942 ALORKVFSTMOHHF-UHFFFAOYSA-N 269.175 3.729 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)Nc1sc(C(C)(C)C)cc1C#N 411005448 FXOGKJYUFCDCMG-NXEZZACHSA-N 276.405 3.902 30 20 CHED Cc1nc(C)c(COc2ccc(C#N)c(C)c2)s1 434645248 KCAQTBIMVHWATQ-UHFFFAOYSA-N 258.346 3.519 30 20 CHED N#Cc1ccc(CNc2ccc(-c3cnco3)cc2)c(F)c1 505235553 MDJHDAOMMGXGNK-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)c1nc(C)cs1 184362100 MUCFSOQWDPGAQV-AWEZNQCLSA-N 289.379 3.703 30 20 CHED CCCOCc1ccccc1CNc1ncc(C#N)cc1F 413070081 FGYNSYGJXBXNTC-UHFFFAOYSA-N 299.349 3.631 30 20 CHED CC(C)OC(=O)c1ccc(OCc2ccc(C#N)cc2)cc1 32785229 KLUNLXJHZZKBNZ-UHFFFAOYSA-N 295.338 3.702 30 20 CHED CC1(C)CCC(C(=O)Nc2ccc(F)c(C#N)c2)CC1 490599482 DTIPBTREXDCCAG-UHFFFAOYSA-N 274.339 3.852 30 20 CHED COc1cc(/C=C2\Oc3cc(C)c(C)cc3C2=O)ccc1O 39842640 QGWFRXOWZUJLDU-MFOYZWKCSA-N 296.322 3.634 30 20 CHED C=CCCC[C@H](C)NC(=O)c1nn(-c2ccccc2)cc1C 186695383 SMCNVVFQQWWMJU-HNNXBMFYSA-N 297.402 3.655 30 20 CHED C=C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 123476265 VVIQQJAKCHNNFN-SSDOTTSWSA-N 260.215 3.600 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@H]2CCCS2)c1 126894572 QODOHGORQVSWAZ-SNVBAGLBSA-N 286.322 3.885 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 508645001 ISUWWQMYVBWCEX-UXBLZVDNSA-N 285.303 3.657 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)Cc1ccc2ccccc2c1 502452080 WEWFDGOHVFSSKH-LJQANCHMSA-N 294.398 3.827 30 20 CHED C=CCN(CC=C)C(=O)NC(CC(C)C)CC(C)C 509664822 IRGWSODBBYRWQI-UHFFFAOYSA-N 266.429 3.831 30 20 CHED CCC(=O)Nc1ccc(C)c(NCc2ccc(C#N)cc2)c1 78970386 HNQCBNRBZWOZNC-UHFFFAOYSA-N 293.370 3.827 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC1CCN(CCC)CC1 414294815 DXIJIEVFDAVBBO-IBGZPJMESA-N 286.463 3.638 30 20 CHED Cc1ccc2cc(CNCc3cccc(C#N)c3)ccc2n1 187640639 QXNVTARALNYEPD-UHFFFAOYSA-N 287.366 3.705 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(OCCCC#N)c1 183225588 WNVFKWHCXUHSJN-KGLIPLIRSA-N 288.391 3.990 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@](C)(C=C)CC 187850149 OBCYGFOSOCXAEA-KRWDZBQOSA-N 275.367 3.943 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)C2(C#N)CCCCC2)C1 1536356016 QQHIJNAYXVDHMV-CQSZACIVSA-N 276.424 3.793 30 20 CHED N#Cc1cccc(Cl)c1N1CCc2ccsc2C1 132463172 MLZWVOCBXQOCEO-UHFFFAOYSA-N 274.776 3.836 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@]1(C)CC=CCC1 410593250 SFEYFFQKVRXJCJ-INIZCTEOSA-N 254.333 3.552 30 20 CHED CC[C@H](C)CN1CC=C(c2ccc(C#N)cc2)CC1 502526405 BAHKSQUIGNDACB-AWEZNQCLSA-N 254.377 3.693 30 20 CHED CSc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1 43856666 WMHBBSOFFFIZBZ-UHFFFAOYSA-N 297.383 3.602 30 20 CHED CC[C@H](C)N(C(=O)c1ncc(C#N)cc1Cl)[C@@H](C)CC 410683857 MMYJSRLHQDCGLP-QWRGUYRKSA-N 293.798 3.646 30 20 CHED N#CCCSCCOc1ccc(C(F)(F)F)cc1 413014292 PXFTWJVQZXDENP-UHFFFAOYSA-N 275.295 3.731 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CCC[C@H]2CCCC[C@H]21 329613169 CRSXKBZWQQXCGV-MGPQQGTHSA-N 273.380 3.980 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 506750082 FZGMXPDTTSGYMK-DGCLKSJQSA-N 290.794 3.768 30 20 CHED CC[C@H]1CN(c2ccc(Cl)cc2C#N)CCS1 135265469 MULSVJBMUVHWLQ-LBPRGKRZSA-N 266.797 3.543 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@@H]2c2ccsc2)c1 84083355 OCBOSYMDMKCSFK-GFCCVEGCSA-N 288.397 3.659 30 20 CHED C[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CS1 86934943 QVPWLPPLDLPRPG-KWQFWETISA-N 252.770 3.518 30 20 CHED C=C[C@@H](CC(=O)Nc1c(C)nn(CC)c1C)c1ccccc1 136116952 OFGCJHZOVUIQNF-HNNXBMFYSA-N 297.402 3.818 30 20 CHED N#Cc1cc(CNC(c2ccccc2)c2ccccc2)ccn1 320624468 XNGCIEXKCNDPHE-UHFFFAOYSA-N 299.377 3.832 30 20 CHED COCCC1(/N=C(/O)c2coc(C3CCCC3)n2)CCC1 328708723 FQDDMWAJWNJRGT-UHFFFAOYSA-N 292.379 3.596 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2cc(C#N)cs2)C1 84190569 ZOYBYRJKDIYTSO-OAHLLOKOSA-N 276.405 3.662 30 20 CHED C=CCCCCCCN[C@@H]1CCO[C@H](C(C)C)C1 380814059 UTALJHYCZABBPH-CVEARBPZSA-N 253.430 3.916 30 20 CHED Cc1ccc(-c2ncco2)cc1N=C(O)N1C[C@H]2CCC[C@@H]21 328898155 XXGLZRKOJAJVNU-HIFRSBDPSA-N 297.358 3.680 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)c(OC)c(F)c1 424587992 AXFXOFJBWITUQD-UHFFFAOYSA-N 269.291 3.514 30 20 CHED C#CCCCC(=O)Nc1nc(-c2cc(C)oc2C)cs1 192218895 ITVINQAFKXPMTM-UHFFFAOYSA-N 288.372 3.762 30 20 CHED C=CCOc1ccc(C(=O)Nc2ncc(CC)s2)cc1 81231304 ABEKFDRQFHKPRQ-UHFFFAOYSA-N 288.372 3.523 30 20 CHED N#CC1(CN(Cc2ccc(F)cc2Cl)CC2CC2)CC1 511106151 KZOBXANGCNXUAB-UHFFFAOYSA-N 292.785 3.995 30 20 CHED C[C@@H](Nc1ncccc1C#N)[C@H](C)c1ccccc1 80688108 MFTKJCXVHBYOPL-QWHCGFSZSA-N 251.333 3.557 30 20 CHED COc1ccc(/C=C/C(=O)c2ccsc2)c(OC)c1 194615782 LDKXYOCKQMWDHN-GQCTYLIASA-N 274.341 3.661 30 20 CHED C=CC(C)(C)C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 334598167 NAFHOMMKMZIVKE-HNNXBMFYSA-N 297.402 3.829 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(C(F)F)ccc1Cl 336190191 QDEUTFXKXRWCJS-CPFSXVBKSA-N 284.693 3.766 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC1CCC(F)(F)CC1)CC2 335721751 LUHWZNFTXWAMQV-HNNXBMFYSA-N 276.330 3.713 30 20 CHED CC(C)[C@H](CNCc1ccc(C#N)c(F)c1)c1cccnc1 421362168 ILBXNBJFFFYTRR-KRWDZBQOSA-N 297.377 3.622 30 20 CHED O/C(CCC1CC1)=N/C1(c2noc(C3CC3)n2)CCCC1 330094353 SSEGMPQSUROXTD-UHFFFAOYSA-N 289.379 3.863 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)c1ccccc1F)OCC 339393643 LXFWQKJNRPRJTL-HNNXBMFYSA-N 279.355 3.550 30 20 CHED C[C@@H](CCc1ccc(O)cc1)N[C@@H](C)c1cccc(C#N)c1 193021162 ADTNCKRERHSQRP-GJZGRUSLSA-N 294.398 3.936 30 20 CHED CC[C@@H]1CCCN(C(C)(C)CNCc2ccc(C#N)cc2)C1 236939754 IQTSTYWDFMROBR-MRXNPFEDSA-N 299.462 3.548 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2O)cc1 143162750 FNQKIOZMRZIZTJ-IZZDOVSWSA-N 298.338 3.696 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccc2n[nH]cc2c1 336208583 VQWHVGWEERMWLR-OLJMKKDRSA-N 282.391 3.686 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccsc1 425125533 GPVFEAPVSOWTRB-CHWSQXEVSA-N 298.411 3.943 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 424675951 NYBCGHQTOHJCNM-ZMZXKLSGSA-N 289.341 3.682 30 20 CHED Cc1ccsc1CN(C)Cc1cccc(F)c1C#N 428466187 WHUWBLZGNCVIHZ-UHFFFAOYSA-N 274.364 3.699 30 20 CHED Cc1ccc(Nc2nccc(C#N)c2Cl)cc1C 235881415 GEOATALRFFSNEN-UHFFFAOYSA-N 257.724 3.967 30 20 CHED Cc1cc(C)c(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)o1 335082583 GIUYHOUWQCTINR-CYBMUJFWSA-N 282.343 3.601 30 20 CHED N#Cc1cccc(CNCCCc2cccc(Cl)c2)c1 237775872 PXLMJFSDCJMPAS-UHFFFAOYSA-N 284.790 3.934 30 20 CHED CCC(=O)c1ccc(Oc2c(C#N)cccc2C#N)c(F)c1 436393873 VHOKHUADFHLEPM-UHFFFAOYSA-N 294.285 3.954 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)CCC(C)(C)C 437497731 OZTCDCLFQKPEOK-ILXRZTDVSA-N 281.440 3.546 30 20 CHED CC#CCCSCc1ncccc1C(F)(F)F 432242615 MIWKSCDGXFWRSA-UHFFFAOYSA-N 259.296 3.747 30 20 CHED C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)CC(C)(C)C#N 335165435 NHHZWGBPEQFNET-NEPJUHHUSA-N 288.366 3.600 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)Cc1ccc(F)c(Cl)c1 432905516 SULJETYZJVZMMO-SNVBAGLBSA-N 284.762 3.585 30 20 CHED C=CCC[C@H](NCCc1ccc(C)c(OC)c1)C1CC1 438994852 AOLMYCHDEJZLSB-KRWDZBQOSA-N 273.420 3.881 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1cccc(N(C)C)c1 527461121 OZZOKQBPESJDOQ-HNNXBMFYSA-N 288.435 3.546 30 20 CHED N=C(O)[C@@H]1CCCC[C@@H]1/N=C(/O)[C@@H]1CC12CCCC2 330133299 LVVHBYVOHVAQGO-WOPDTQHZSA-N 264.369 3.617 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(NC(C)=O)c2)cc1 97993062 SUPADZNCNDBIEM-FLIBITNWSA-N 295.338 3.550 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2ccc(C#N)cc2)C1 243750546 PWMNVVFWADCNOW-MAUKXSAKSA-N 297.402 3.991 30 20 CHED CC1(C)CCCN(C(=O)c2cc(F)ccc2Cl)[C@H]1C#N 295390481 PUIYDOZPHXPHNF-ZDUSSCGKSA-N 294.757 3.633 30 20 CHED N#Cc1cnc(NC[C@H]2CCc3ccccc32)c(Cl)c1 347320558 VOTZOUQXRIPDSV-CYBMUJFWSA-N 283.762 3.749 30 20 CHED C=C(CNC(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 345751698 RMDFSDGUAIPYSL-UHFFFAOYSA-N 291.272 3.547 30 20 CHED CCC(C)(C)[C@H]1CCc2nc(NC(=O)CC#N)sc2C1 345412969 OZTIOGFCRNKIJE-JTQLQIEISA-N 291.420 3.536 30 20 CHED COc1cccc([C@H]2CN([C@@H](C)CCC#N)CC2(C)C)c1 528624226 LPDWRHVYIVBVPT-WMLDXEAASA-N 286.419 3.813 30 20 CHED C=CCOc1cccnc1C(=O)Nc1ccccc1Cl 341375365 ZGRXHBBLCAJWBY-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C=CCC(C)(C)C(=O)Nc1nccc2sccc12 346336750 SMOYNUXYZILFHA-UHFFFAOYSA-N 260.362 3.837 30 20 CHED CC(C)[C@H]1C[C@@H](N=c2cc[nH]c(C#N)c2)c2ccccc21 343084218 NLBDWGZSNHTDKE-QZTJIDSGSA-N 277.371 3.672 30 20 CHED N#Cc1ccccc1SCCOc1cccc(F)c1 525083342 GMZQQAAROSVRKI-UHFFFAOYSA-N 273.332 3.868 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ncc(CC)s1 346140174 WZZUUZFMFQHGTM-UHFFFAOYSA-N 299.443 3.989 30 20 CHED CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1cc(C#N)n(C)c1 435280596 SZQZDTDQLYWXKU-GOSISDBHSA-N 299.393 3.865 30 20 CHED Cn1cc(/C=C\C(=O)c2ccccc2)c(C(C)(C)C)n1 255155065 WZVZISIKXJQJLM-KHPPLWFESA-N 268.360 3.614 30 20 CHED C[C@H]1C[C@H](CCNc2nccc(C#N)c2Cl)C[C@@H](C)O1 343154038 OKZCMNWMWIZOKG-ZSBIGDGJSA-N 293.798 3.612 30 20 CHED CCN(CCC#N)Cc1ccc(-c2ccc(F)cc2)o1 349870743 CVKSODFNIKMGAW-UHFFFAOYSA-N 272.323 3.821 30 20 CHED Cc1ccc(S[C@@H](C)C(=O)N(CCC#N)C(C)C)cc1 522583268 PUFRBODPDSEYKO-AWEZNQCLSA-N 290.432 3.626 30 20 CHED CCCc1ccc(C(=O)N(C)c2cccc(C#N)c2)s1 601016692 OUXZOJQZKYHCBI-UHFFFAOYSA-N 284.384 3.849 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H](C)c1ccco1 602284077 YXKJPLPIEDWDKK-CYBMUJFWSA-N 276.380 3.752 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc3c(c2)CCC3)cn1 255059513 BQMLZSJVIIXWMR-CLFYSBASSA-N 280.371 3.849 30 20 CHED CCCC[C@@H](CCC)Sc1[nH]c(=N)c(C#N)cc1C#N 520724416 ODBBAUZAVFKPFC-CYBMUJFWSA-N 288.420 3.689 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(C(F)(F)F)cc1C 448727798 ZUNDIOQQFIBHLM-SNVBAGLBSA-N 298.308 3.636 30 20 CHED C=CCOc1ccc(/C=C\C(=O)c2ccncc2)cc1OC 255842292 GPOHWUALIOEUIA-XQRVVYSFSA-N 295.338 3.551 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 448945490 IPUYMTCVGWBXKJ-LMMKCTJWSA-N 298.430 3.700 30 20 CHED C=CCN(CCCSC)Cc1ccccc1F 357672091 AZLJLEWJIVXIRZ-UHFFFAOYSA-N 253.386 3.567 30 20 CHED CC(C)(Cc1ccccc1Cl)NCc1cccc(C#N)n1 602568866 YQCBKXJQMTWIQL-UHFFFAOYSA-N 299.805 3.718 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)N(C)Cc1ccccc1 449152135 ZVJHKKHQYFJEKW-IPJUCJBFSA-N 299.462 3.569 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC(C)(C)c1c(C)noc1C 354995521 NQVJCXLVXPURAD-LLVKDONJSA-N 293.411 3.571 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CCC(C)(C)c1ccccc1 611082056 FYTJEVGXWYPNCQ-INIZCTEOSA-N 286.419 3.799 30 20 CHED C[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 355283004 AGSAFBIVNXNPQZ-DOTOQJQBSA-N 284.403 3.723 30 20 CHED CCC(CC)(CC)NC(=O)NCC(C)(C)CCC#N 358701629 ZTBAOJYJMJHPSD-UHFFFAOYSA-N 267.417 3.584 30 20 CHED C[C@@H](NCc1ccc(Cl)cc1C#N)c1cccc(C#N)c1 614178839 FYOIJYIKJGSFNR-GFCCVEGCSA-N 295.773 3.934 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1Nc1ccccc1 538606698 CPUGARCEKUVFLW-LBPRGKRZSA-N 265.316 3.528 30 20 CHED Cc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)o1 618803369 IEHDSWJPOQGNRA-WBMJQRKESA-N 266.344 3.798 30 20 CHED Cn1cc(CNC2CCC3(CCCCC3)CC2)cc1C#N 359673804 PDSCGROUBSSHSM-UHFFFAOYSA-N 285.435 3.879 30 20 CHED C=C(CC)CNc1cc(Cl)ccc1N1CCOCC1 539102489 PLKQEVHWLZPXML-UHFFFAOYSA-N 280.799 3.555 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(SC)cc2)C1 617788636 NSXJKATYHMGPGG-ZDUSSCGKSA-N 275.417 3.837 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCOC2(CCC2)C1 539060014 MDYAIJVIRHJPOL-GJZGRUSLSA-N 251.414 3.813 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)OCC 534424056 OYIKTRKDCUPHEJ-KFWWJZLASA-N 281.440 3.689 30 20 CHED C=CC(C)(C)CNC(=O)c1ccccc1C(F)(F)F 452773798 BXKSZLIUVZYSJU-UHFFFAOYSA-N 271.282 3.647 30 20 CHED Cc1ccc(C(=O)N(C)CC(C)(C)C#N)c(Cl)c1Cl 452150082 WRDACXFDEPBFPI-UHFFFAOYSA-N 299.201 3.924 30 20 CHED C=C(C)CCNC(=O)C[C@H](c1ccccc1)C(F)(F)F 452727727 ZVTOLQOYTADMJH-CYBMUJFWSA-N 285.309 3.805 30 20 CHED CO[C@@H]1C[C@H](N(C)CCCCC(C)(C)C#N)C12CCC2 451865359 KFGLUYJAPOLZJP-LSDHHAIUSA-N 278.440 3.596 30 20 CHED C=C(C)CN[C@H](c1cccc(Cl)c1)c1ccccn1 365277909 KAXYBUCDLRVADE-MRXNPFEDSA-N 272.779 3.990 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)c1cccc(Cl)c1 452774953 MWZJOEJCTZAIRE-LLVKDONJSA-N 265.784 3.772 30 20 CHED CC(C)C[C@H](C)CC(=O)NCc1ccc(C#N)c(Cl)c1 619764806 JMMSCIRBGQBGLK-LBPRGKRZSA-N 292.810 3.900 30 20 CHED C=CCC[C@@H](NC[C@@H](CCC)OC)c1ccco1 453260454 YDUWDWYETNQZIW-ZIAGYGMSSA-N 251.370 3.692 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 369907613 FEJQIGBAYXLZAS-YJBOKZPZSA-N 299.414 3.798 30 20 CHED C[C@H](CC#N)NCc1csc(-c2ccc(Cl)cc2)n1 612584411 GTIGNFBHURMTIU-SNVBAGLBSA-N 291.807 3.855 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc([C@H]3CCOC3)c2)C1 617781403 LNXDGKAYNOEQNO-QAPCUYQASA-N 299.414 3.619 30 20 CHED CCCc1nc(C)c(COc2cccc(F)c2C#N)o1 450901606 WOPJCUQRCFBXQY-UHFFFAOYSA-N 274.295 3.525 30 20 CHED CC#CCCCC(=O)Nc1cccc(SC)c1C 274271435 BEHIJVBBXXATTP-UHFFFAOYSA-N 261.390 3.849 30 20 CHED CC#CCCNC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 458653838 KVDSWZVIAHJDLG-QGZVFWFLSA-N 296.414 3.727 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(C)(F)F)nc2)n1 453180221 KEASVZNAOIJEIH-UHFFFAOYSA-N 279.290 3.752 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 453369486 QVBPPOCTMSSKNM-CQSZACIVSA-N 289.423 3.833 30 20 CHED C=CCC1(C(=O)Nc2scnc2C(C)C)CCC1 456440883 QJIVRSYFLLRVPF-UHFFFAOYSA-N 264.394 3.951 30 20 CHED C=CCN(C(=O)c1cnn(-c2ccccc2)c1C)C(C)(C)C 622942841 BFRNFZOFKVPIKJ-UHFFFAOYSA-N 297.402 3.607 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 375901329 MBUJTOUEBZCUPO-UKPHBRMFSA-N 288.366 3.518 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCSc1ccccc1 466361149 PXNQWAAIOVNHOF-INIZCTEOSA-N 277.433 3.887 30 20 CHED C=CCCN[C@@H](c1c(F)cccc1F)C(F)(F)F 541879550 BEACEHPCUUJNNJ-NSHDSACASA-N 265.225 3.734 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)C[C@@H]1C 279557965 UECARUWXXBCIPU-YJBOKZPZSA-N 299.414 3.597 30 20 CHED C[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1 461762788 MZQCJWPIXQVUNH-HUUCEWRRSA-N 292.382 3.582 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1nc(C(C)(C)C)cs1 281855116 MMWXZSHHZSOCMS-LLVKDONJSA-N 295.452 3.595 30 20 CHED C/C(=C/c1ccccc1)CN(C)[C@@H]1CC[C@H](C#N)C1 555461747 UNLZJDCJTVRUKQ-OQDIJTRPSA-N 254.377 3.714 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 462140183 PGOQIQKWAXROMT-VBQJREDUSA-N 284.403 3.747 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 280882416 NIPQBHVXGCGSDD-SJORKVTESA-N 284.403 3.733 30 20 CHED CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 464527668 PDXSYPVIQSOBGW-CKEIUWERSA-N 261.409 3.511 30 20 CHED C=CCSc1ccccc1C(=O)NCC1CC(F)(F)C1 553024142 IRZBBPOLHHDKIM-UHFFFAOYSA-N 297.370 3.740 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1CC(C)C 466324338 FJUJJSMPEWDLPQ-KGLIPLIRSA-N 252.402 3.561 30 20 CHED C=CCC[C@H](CC)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 462119266 GRACWITUGJPSHE-YJNKXOJESA-N 251.414 3.524 30 20 CHED C=CCN(CC=C)C(=O)C(C)(C)Oc1cccc(Cl)c1 463269612 YNZKSVWVMPACMZ-UHFFFAOYSA-N 293.794 3.698 30 20 CHED C=C(C)CCc1noc(-c2cccc(CC)c2O)n1 552041835 SSQGFBNMPGOWNN-UHFFFAOYSA-N 258.321 3.513 30 20 CHED CCCCSCCC(=O)N[C@@](C)(C#N)C1CCCCC1 550748347 RGVXQZTWAXNLDS-INIZCTEOSA-N 296.480 3.889 30 20 CHED C=CCOc1ccc(CNC(=O)c2c(C)cccc2C)cc1 557362312 BZKINFJRPCALGM-UHFFFAOYSA-N 295.382 3.798 30 20 CHED C=CC[C@H](CC)NC1CCN(c2ccccc2OC)CC1 631125540 BMWGJALXWSDJSX-HNNXBMFYSA-N 288.435 3.608 30 20 CHED C#C[C@H](N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C 809782330 PDZGNSUGCXCRRB-UHOSZYNNSA-N 298.474 3.535 30 20 CHED CC(C)SCCOC(=O)c1ccc(Cl)c(C#N)c1 803431450 ZCTHHZGEQZAKLZ-UHFFFAOYSA-N 283.780 3.510 30 20 CHED CCCCCOc1ccc(C(=O)/C=C\c2cn(C)cn2)cc1 800793486 RMPGKTARWKOXKZ-FLIBITNWSA-N 298.386 3.885 30 20 CHED Cc1cccc([C@H]2CCCCCN2CCO[C@@H](C)C#N)c1 801921716 KQQQPSUGXIFWBM-FUHWJXTLSA-N 286.419 3.841 30 20 CHED C[C@H](C#N)OCCOc1ccc2oc3c(c2c1)CCCC3 802726750 OZVFUMGCNQYEFC-GFCCVEGCSA-N 285.343 3.619 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)c1ccc(C(F)(F)F)nc1 296294011 QQWDBHQCRUHJJE-VIFPVBQESA-N 287.281 3.917 30 20 CHED COc1cc(/C=C2\C(=O)c3ccccc3[C@H]2C)ccc1C#N 809159803 XBUBVMTWBJSMFY-AXIYWZQUSA-N 289.334 3.950 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)c2ccncc2)CCCCC1 649077922 HTMJBUFRPOTOMB-OAHLLOKOSA-N 286.419 3.828 30 20 CHED CCN(CCC#N)C(=O)c1ccc(C2CCCC2)cc1 290381135 NDTPZNBIADNHES-UHFFFAOYSA-N 270.376 3.720 30 20 CHED C[C@H](C(=O)N1CCCc2cc(C#N)ccc21)c1ccccc1 297682234 GSWVDAQICAGSGA-AWEZNQCLSA-N 290.366 3.641 30 20 CHED C[C@@H]1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)c2ccccc21 809159200 KFWIWVYDNFOVLP-WULZRQGASA-N 295.294 3.684 30 20 CHED C=CCCCCNC(=O)c1cc(F)ccc1Cl 292990544 KCRCIQPSFCECCU-UHFFFAOYSA-N 255.720 3.565 30 20 CHED COc1ccc([C@H](Cc2ccc(F)cc2)N[C@@H](C)C#N)cc1 299291987 UMEUNLDSHJLZFD-UGSOOPFHSA-N 298.361 3.620 30 20 CHED C#CCCCNC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 806877273 RJBIUKHJJDBQAO-WBVHZDCISA-N 284.403 3.583 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1conc1CC 296547286 QUXPVOUFCQEPCX-UHFFFAOYSA-N 295.427 3.739 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCO[C@H](CC)C2)CCCC1(C)C 470295406 DWEUTCQXWVSCBD-XHSDSOJGSA-N 293.451 3.785 30 20 CHED C=CCOCCCOc1ccc(Oc2ccccn2)cc1 478815637 NKKDJWNFGZDJAD-UHFFFAOYSA-N 285.343 3.845 30 20 CHED C#Cc1ccc(CNCCCCN2C[C@@H](C)C[C@H](C)C2)cc1 809605548 DXEPWXQZHDQQIH-ROUUACIJSA-N 298.474 3.516 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CCC[C@@H](F)C1)c1ccccc1 648440473 VPHAWDCMEUJBDJ-OAGGEKHMSA-N 275.367 3.743 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC[C@H](C)CC1 564384789 YNVKFPHDGITEQP-AWEZNQCLSA-N 288.439 3.748 30 20 CHED C=CCCCC(=O)N(C)CCCOc1cccc(Cl)c1 479543757 OLQXOYDOUALBPC-UHFFFAOYSA-N 295.810 3.924 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)[C@@]1(C#N)CC12CCCC2 294761217 ZRXHUMGSVJYCMG-APWZRJJASA-N 296.414 3.598 30 20 CHED CCCCCOc1ccc(OCCO[C@H](C)C#N)cc1 802725408 SEAQEEVDLSTVBE-CQSZACIVSA-N 277.364 3.563 30 20 CHED Cc1sccc1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 647380119 LWASGCMGQBTYMO-LLVKDONJSA-N 288.397 3.881 30 20 CHED C=CCN(Cc1cccs1)Cc1ccnn1CC(C)C 648000089 QYGNGXTXDOMRMB-UHFFFAOYSA-N 289.448 3.789 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(SC)c1 486776245 PKJOBMGTYLBLMW-ZDUSSCGKSA-N 276.405 3.981 30 20 CHED C=CC[C@H](C)[C@H](C)NC1(c2cccc(C#N)c2)CC1 560260746 FUBAZYQIZIPRDP-KBPBESRZSA-N 254.377 3.738 30 20 CHED CC[C@H]1C[C@@H](C)CN1Cc1ccc(Cl)cc1C#N 480550104 FQUWRRGUOOZISJ-ABAIWWIYSA-N 262.784 3.832 30 20 CHED CC(=NNCC(F)F)c1csc(-c2ccccc2F)n1 812226458 NJAROKCAIPZXLX-UHFFFAOYSA-N 299.321 3.528 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@@](C)(F)C1)c1ccccc1 489954325 KOLNDKOXNXBGKE-NVXWUHKLSA-N 275.367 3.697 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(-n2cccc2)c1 488863848 YCDJGHAXCPLTIZ-MRXNPFEDSA-N 280.371 3.658 30 20 CHED C[C@H](O)c1cc(NCc2ccc(F)c(C#N)c2)ccc1F 814238529 UANWXNVALAMINT-JTQLQIEISA-N 288.297 3.502 30 20 CHED CCc1c(C)sc(NC(=O)[C@@]23CCC[C@@H]2C3)c1C#N 563950105 HEMBXDJENOSZGB-MEBBXXQBSA-N 274.389 3.619 30 20 CHED N#Cc1cc(NC(=O)NC2CCCCCC2)ccc1F 481591680 AEIMZNHWLAJCMV-UHFFFAOYSA-N 275.327 3.542 30 20 CHED C#C[C@@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ccc(Cl)cc1 811947605 JLNFBSLCTQYZPF-WCQYABFASA-N 297.732 3.566 30 20 CHED Cc1cccc(Cl)c1NN=Cc1cncn1C(C)C 819812990 JKDXLBUIIYLSBK-UHFFFAOYSA-N 276.771 3.872 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2ccc(C#N)s2)C1 487534861 IHHMLUCATIDOLO-HNNXBMFYSA-N 276.405 3.662 30 20 CHED C=CC[C@@H](C)NC(=O)CCCOc1ccc(C)cc1Cl 482194978 VXBLFBSRXCMCTE-CYBMUJFWSA-N 295.810 3.888 30 20 CHED CC(C)CCCCCC(=O)N(C)CC(C)(C)C#N 817605077 KFLWSRVNZYWFSO-UHFFFAOYSA-N 252.402 3.601 30 20 CHED C=CCCC(CCC)=NNc1ccccc1S(C)(=O)=O 814846015 CROLXQZWACNXTB-UHFFFAOYSA-N 294.420 3.624 30 20 CHED CCCCCCCCCNC(=O)[C@@H](F)C(F)(F)F 810042823 KQYWTEXTLFVEPP-SNVBAGLBSA-N 271.298 3.754 30 20 CHED N#CC[C@@H](CC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 570214692 AXGNTZXFIPXXPC-BZSNNMDCSA-N 296.414 3.865 30 20 CHED CC(C)[C@@H]1CC(=NOCc2ccc(F)cc2)CS1 814903262 APWCVKWQZKCREL-AWEZNQCLSA-N 267.369 3.860 30 20 CHED c1ccc(C[C@H]2CCC(=NOC3CCOCC3)C2)cc1 814907353 GCUTXCMAWRPTCG-OAHLLOKOSA-N 273.376 3.581 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CC(C2CCCCC2)C1 819009755 OLVKXCBMTSEXEK-KHPPLWFESA-N 294.398 3.610 30 20 CHED C=C(C)COc1cc(CNCCC(C)(C)F)ccc1OC 657645052 YWOYMILBPMFJSZ-UHFFFAOYSA-N 295.398 3.878 30 20 CHED COc1ccc(C(C)=NNCCC(F)(F)F)c(Cl)c1 819809950 SXHAWJDQIIBSTI-UHFFFAOYSA-N 294.704 3.615 30 20 CHED C=CCCn1cc(CNc2ccc(C3CCC3)cc2)nn1 656118761 ZTACKEUVQVKIBK-UHFFFAOYSA-N 282.391 3.734 30 20 CHED CC[C@@H](C)CON=C1Cc2[nH]c3ccccc3c2C1 814939545 VDDHGMFJTPIDJR-LLVKDONJSA-N 256.349 3.685 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C 815315117 UBRRZXIKZCDAQY-JTQLQIEISA-N 299.273 3.719 30 20 CHED C=CCC(F)(F)C(=O)NC1(Cc2cccc(F)c2)CCC1 816187604 XJWXMCHWTFFODP-UHFFFAOYSA-N 297.320 3.619 30 20 CHED Cc1cc(CN(C)CCOc2ccc(F)cc2)ccc1C#N 486802290 NRMBGMIKWYUSEQ-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C=C[C@H]1CCCCN1CC(=O)c1cc(C)n(C2CC2)c1C 489439088 YAZGFBYABPOTJN-HNNXBMFYSA-N 286.419 3.663 30 20 CHED COc1ccccc1/C=C/c1nc2ccccc2n1CC#N 486073964 IOLMUQFYRZDJGJ-ZHACJKMWSA-N 289.338 3.739 30 20 CHED Cc1cc([C@@H](N=c2ccc(C#N)c(C)[nH]2)C2CC2)ccc1F 488082045 CMWXZVSMKWYCJK-SFHVURJKSA-N 295.361 3.694 30 20 CHED C=CCC(F)(F)C(=O)N(C)C1CCC(CC)CC1 814957307 MXZXHKFXVXHWMJ-UHFFFAOYSA-N 259.340 3.625 30 20 CHED CC1(C)CC(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)C1 813217230 DPJJKNDHDULWBR-NSHDSACASA-N 296.292 3.713 30 20 CHED CC(C)(CF)Nc1cc(Br)c(C#N)cc1F 577650580 YSSMAGHMQSCUOO-UHFFFAOYSA-N 289.123 3.620 30 20 CHED C#CCCOC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728767876 GMXQCOWGRUIKAG-UHFFFAOYSA-N 291.306 3.531 30 20 CHED C[C@H]1CCCC[C@H]1NC(=S)N(CCC#N)CC(C)(C)C 729646158 OJSGRVNWJHUSOZ-UONOGXRCSA-N 295.496 3.701 30 20 CHED CCCN(CCC)Cc1ccc(Cl)cc1C#N 480497497 UQPFZUYECAOHII-UHFFFAOYSA-N 250.773 3.834 30 20 CHED CC1(C)Cc2cccc(N[C@H]3CC[C@@H](C#N)C3)c2O1 571012043 FSBWXRIFPKBSPX-YPMHNXCESA-N 256.349 3.504 30 20 CHED N#Cc1cc(Cl)ccc1NCc1noc2ccccc12 579221519 UPNMUHRCXGFFKO-UHFFFAOYSA-N 283.718 3.965 30 20 CHED C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H]1C 579530547 DWCLLDHNURZUMR-AWEZNQCLSA-N 296.418 3.682 30 20 CHED Cc1cccc2c1C/C(=C\c1c[nH]nc1C(C)(C)C)C2=O 729151021 NUPVGHCKEDMKGA-XYOKQWHBSA-N 280.371 3.838 30 20 CHED C=CCOc1ccc(CNC(=O)N[C@H](CC)CCC)cc1 572390091 WVGHQFVELSCNAK-OAHLLOKOSA-N 290.407 3.629 30 20 CHED N#Cc1ccnc(N[C@H](CC2CCC2)c2ccccc2)n1 570159158 YFICSUHPWNNLDO-MRXNPFEDSA-N 278.359 3.692 30 20 CHED C#C[C@H](NCc1cc2cc(Cl)cnc2o1)C(C)(C)C 824401364 DGYZKHOMCPBTMM-ZDUSSCGKSA-N 276.767 3.619 30 20 CHED C=CCN(C(=O)c1ccc(OCCC)cc1OC)C(C)C 823096311 BGESYJYSYIXYKU-UHFFFAOYSA-N 291.391 3.521 30 20 CHED CC1(C)CCCN(C[C@@]2(C)CC2(Cl)Cl)[C@H]1C#N 829244529 YGYWXYMZJJPAFQ-CMPLNLGQSA-N 275.223 3.584 30 20 CHED CCCCCCCC(=O)Nc1cccc(F)c1C(=O)OC 729656303 AHQMLUGITCAQMM-UHFFFAOYSA-N 295.354 3.911 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C\c1ccsc1 491519879 KWPSTAZSJDYWPI-WAYWQWQTSA-N 276.405 3.550 30 20 CHED CCc1ccc(C(C)=NNc2nc3ccccc3n2C)cc1 728775760 BKDOFHUVSPMSBC-UHFFFAOYSA-N 292.386 3.972 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccnc(-c3ccco3)c2)C1 824966039 XCFCJQRRIDITJR-CQSZACIVSA-N 296.370 3.770 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2sc(CC)nc2C)c1 728480509 VGNRLPPMDPLXDE-UHFFFAOYSA-N 298.411 3.662 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(C)cc(OC)c(C)c1C 491507168 UEWSGVZLEXELIC-CQSZACIVSA-N 288.391 3.544 30 20 CHED Fc1ccc(NN=Cc2cnn(-c3ccc(F)cc3)c2)cc1 728172869 OFZFNNPTBFHPIF-UHFFFAOYSA-N 298.296 3.597 30 20 CHED COc1cccc(NN=Cc2ccccc2Cl)c1 725853288 ILESYELFWFMXQI-UHFFFAOYSA-N 260.724 3.795 30 20 CHED CCC[C@H](C(=O)N(O)Cc1ccc(F)cc1)C(C)C 901372297 BUEILFDNWNMGQQ-AWEZNQCLSA-N 267.344 3.616 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(F)c1SC 667410062 QMAAGZPHUODXBJ-UHFFFAOYSA-N 282.384 3.978 30 20 CHED C=CC[C@H]1N(C(=O)N[C@@H]2CCCSC2)CCCC1(C)C 491457920 KNAPSUBYPSFSHF-ZIAGYGMSSA-N 296.480 3.658 30 20 CHED CC(C)(c1cc(F)cc(C#N)c1)c1nc(C2CCC2)no1 589090203 JOBUKBPULPJXGL-UHFFFAOYSA-N 285.322 3.674 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H](C)C1CCCC1 586796936 CNBBEUBTAKWJDL-GFCCVEGCSA-N 285.391 3.755 30 20 CHED CC(C)[C@H](C#N)c1ccc(-c2cccc3c2CNC3=O)cc1 904901593 GQROUNNXKDICOH-KRWDZBQOSA-N 290.366 3.860 30 20 CHED CCOc1cccc(/C=N\CCC[C@@H]2CCCCO2)c1O 588457739 BMGZJPXLLMOHRO-LUJRCDHRSA-N 291.391 3.559 30 20 CHED CC[C@@H](NCC(C)(C)c1ccccn1)c1cccc(C#N)c1 903005671 XUUIHJPHKITNLU-QGZVFWFLSA-N 293.414 3.972 30 20 CHED Fc1cccc(F)c1NN=Cc1ccc(-n2cccn2)cc1 735620115 UMZHUSQOQKNFOH-UHFFFAOYSA-N 298.296 3.597 30 20 CHED C=CCCCOC(=O)c1ccc(-c2ccco2)nc1C 735534792 PQOXHDJPXAEQNY-UHFFFAOYSA-N 271.316 3.773 30 20 CHED C=CCCCCSc1nc(O)c(C)c(CC)n1 583704714 OJQODZIMTPCDSX-UHFFFAOYSA-N 252.383 3.501 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cc(C)c(OC)c(Cl)c1 834903426 ICJUERMLQKUMGG-TZMCWYRMSA-N 297.826 3.635 30 20 CHED CSCC1CCC(=NNCc2ccc(C#N)cc2)CC1 834964968 IAWPPFCXCGLHFA-UHFFFAOYSA-N 287.432 3.557 30 20 CHED CC1=CC(=NN=c2cc[nH]c3ccccc23)CCC1 730147282 ALKZPXVJLICQJP-UHFFFAOYSA-N 251.333 3.555 30 20 CHED C#CCCCC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 837177367 LFTSSPZDJICNAQ-ZBFHGGJFSA-N 289.806 3.896 30 20 CHED Cc1ccc(-c2nc(NC(=O)C#CC3CC3)sc2C)cc1 837351091 OPXKYJBSIQHMKN-UHFFFAOYSA-N 296.395 3.779 30 20 CHED CC1CC(C(=O)O[C@@H](C)CC#N)(c2cccc(Cl)c2)C1 835159048 NGYUTHQQEVAFBU-BGMSHATGSA-N 291.778 3.853 30 20 CHED CC(C)C[C@H](C)n1nccc1NC(=O)CCCCCC#N 588869182 HSSLJKPVPPQXPV-AWEZNQCLSA-N 290.411 3.903 30 20 CHED CCC[C@H](NC(=O)Cc1ccccc1CC#N)C1CCCC1 838331811 RHUMANFHTKLVJT-SFHVURJKSA-N 298.430 3.770 30 20 CHED O=C(C#CC1CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 837308585 MWCVTQAWTQQFCJ-UHFFFAOYSA-N 287.668 3.711 30 20 CHED C=CCCOCC(=O)Nc1cc(-c2ccncc2)ccc1C 586810836 YSOFMFFXEVRQLJ-UHFFFAOYSA-N 296.370 3.588 30 20 CHED CN1C(=O)CCc2cc(/C=C\C(=O)c3ccsc3)ccc21 588508914 UQGZTRGWJRYOBT-UTCJRWHESA-N 297.379 3.553 30 20 CHED Cc1cccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1Cl 839053527 JHUUNADFSIYKMT-NWDGAFQWSA-N 277.751 3.888 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](C)OCC(C)C)c1 589382379 BGTHZWWORNSEGQ-AWEZNQCLSA-N 291.391 3.641 30 20 CHED Cc1ccc(C)c(N(C)C(=O)/C=C/c2ccccc2C#N)c1 917830295 TYYSYYGYGVUHDZ-ZHACJKMWSA-N 290.366 3.851 30 20 CHED CC(C)N(CCC#N)Cc1cc(Br)cs1 43687117 KOVNJDCUKHLTLE-UHFFFAOYSA-N 287.226 3.635 30 20 CHED CC(C)Oc1ccc(C=NNc2ncccc2Cl)cc1 917546708 UMZSDVTYJMNOME-UHFFFAOYSA-N 289.766 3.968 30 20 CHED CCc1oc2ccccc2c1CC(=O)N(C)CC(C)(C)C#N 599969247 URPCYBATKYYHQZ-UHFFFAOYSA-N 298.386 3.546 30 20 CHED C[C@H]1C[C@@H](C(=O)O[C@@H](C)C(C)(C)C#N)CC[C@H]1C 835246206 UMRWFICJYZLKIN-VOAKCMCISA-N 251.370 3.540 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@@H](C)C1 741638357 AXGDKIKMCIQBSB-CHWSQXEVSA-N 289.350 3.603 30 20 CHED Cc1cc([C@H]2CCCN2c2c(Cl)cccc2C#N)no1 742391809 GPROOSOCPYRATM-CQSZACIVSA-N 287.750 3.850 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 593735496 XQOMTMQARPHCNM-OTYXRUKQSA-N 294.757 3.596 30 20 CHED CCCCCCCC(=O)OCC(=O)NC1CCC(C)CC1 919222258 RZFWEAVIXLWLNW-UHFFFAOYSA-N 297.439 3.585 30 20 CHED COc1ccc2c(c1)C(=NNc1cccc(F)c1)CC2 747632718 HESRZJIIUKSOEW-UHFFFAOYSA-N 270.307 3.597 30 20 CHED Cc1ccc2c(CC/N=C\c3ccccc3O)c[nH]c2c1 749454235 ZNWAJUQCCGYGEZ-ODLFYWEKSA-N 278.355 3.844 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cccc2c1OCO2 915988038 NSFVDTSNBADHGX-FPLPWBNLSA-N 296.322 3.628 30 20 CHED Brc1cc(C=NNc2ccccc2)cs1 914555691 KLQAEVLANKHIQO-UHFFFAOYSA-N 281.178 3.957 30 20 CHED C[C@@H](C(=O)O[C@H](C#N)C(C)(C)C)c1ccc(Cl)cc1 845510784 DSQMWEBFETUBPW-ZWNOBZJWSA-N 279.767 3.925 30 20 CHED N#Cc1ccc(OC(=O)CCCC2CCCC2)cc1 744017317 CYZNOOVSLXYZHW-UHFFFAOYSA-N 257.333 3.824 30 20 CHED C=C(C)CCOC(=O)[C@]1(C)CCc2ccccc2C1 744304904 HFOIOHLEXWPGGY-QGZVFWFLSA-N 258.361 3.691 30 20 CHED CC[C@H](C#N)N(C)C(=O)C(C)(C)Cc1ccc(Cl)cc1 594085776 ZVBDFJUMIQFLQL-CQSZACIVSA-N 292.810 3.669 30 20 CHED CC[C@H](OCCN1CCC[C@@](C)(C#N)C1)c1ccccc1 593023646 YKTDYTMSVMRYRJ-ROUUACIJSA-N 286.419 3.780 30 20 CHED COCc1ccccc1OCCCOc1ccc(C#N)cc1 842098716 WOBAZJFJNHSAGM-UHFFFAOYSA-N 297.354 3.553 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(COC(C)(C)C)cc1 844557202 SKTJHDJMPJSIRQ-GFCCVEGCSA-N 292.379 3.629 30 20 CHED CCN(C(=O)c1ccc(C=NOC)cc1)c1cccc(C)c1 914758243 PDCVVONKJXPASO-UHFFFAOYSA-N 296.370 3.642 30 20 CHED Cc1cccc(NN=Cc2cc(Cl)c3c(c2)OCO3)c1 917022572 FYGVNXFHLTYBDK-UHFFFAOYSA-N 288.734 3.823 30 20 CHED C=CCC[C@H](NCc1csc(N(C)C)n1)c1ccco1 671749722 LQAHMNIJQOZPMB-ZDUSSCGKSA-N 291.420 3.599 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C2\Oc3ccccc3C2=O)cc1 742436179 IWZNGNRSEHIDLI-NJPLLEPOSA-N 291.306 3.594 30 20 CHED CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086799 MXUCJJKELCPNFY-INIZCTEOSA-N 264.328 3.691 30 20 CHED CCCCCCCCNC(=N)NCCc1cccs1 849056341 FOOOUBLXYCENNS-UHFFFAOYSA-N 281.469 3.765 30 20 CHED CC(C)Oc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 915937205 MQVSTXYWPNBWGL-UHFFFAOYSA-N 294.358 3.796 30 20 CHED C[C@H]1CC(=NOCc2cccnc2)c2ccsc2S1 746587126 FHFAPBUGYLWYEI-JTQLQIEISA-N 290.413 3.948 30 20 CHED N#Cc1ncccc1SCC1CCC(F)(F)CC1 594451311 KFPOIJDGBQJJKH-UHFFFAOYSA-N 268.332 3.871 30 20 CHED Cc1cc(C#N)ccc1-c1ccc(O[C@H]2CCOC2)cc1 592983669 HGHDKJOCYTYZQD-KRWDZBQOSA-N 279.339 3.701 30 20 CHED Cc1ccc(C(F)(F)F)c(NC(=O)CC(C)(C)C#N)c1 598872071 UKBVEJQYWIVFAN-UHFFFAOYSA-N 284.281 3.892 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cc2c(cc1O)CCCC2 840786770 DEMKHEHEORTXFU-CYBMUJFWSA-N 286.419 3.861 30 20 CHED COc1ccc(-c2cccc(F)c2C#N)cc1N1CCCC1 596639204 LRLVGJZAQBCQHO-UHFFFAOYSA-N 296.345 3.973 30 20 CHED C#CCCCNC(=O)[C@@H](CC1CCCCC1)C(C)C 742788312 QFVPPKXAJDDXJO-INIZCTEOSA-N 263.425 3.759 30 20 CHED CC(=NNc1ncccn1)c1ccc(Cl)cc1Cl 912973122 IAUIQQRSYCNCAB-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=C(C)CCNc1ccc(Oc2ccc(C)nn2)cc1 685198843 GNOQNOUWTWZPEQ-UHFFFAOYSA-N 269.348 3.955 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)N(C1CC1)C1CC1 599725881 JKWSOSGGRFAGCK-UHFFFAOYSA-N 299.374 3.504 30 20 CHED COc1ccc(OC(C)C)c(NCC2(CC#N)CC2)c1 594705681 PDCUTUQQIIYLET-UHFFFAOYSA-N 274.364 3.588 30 20 CHED C=CCNC(=N)NCc1ccc(C2CCCCC2)cc1 849103624 UMRRHLDIVSOIDA-UHFFFAOYSA-N 271.408 3.534 30 20 CHED COc1cccc(O)c1/C=N\C[C@H](C)c1cccc(C)c1 741165336 KXRTWCPFEFXRTL-YQNUULROSA-N 283.371 3.932 30 20 CHED C=C[C@H](C)NC/C(C)=C/c1ccccc1OC(F)F 685618548 PCNLTYKRJSTROA-ZKQHCESOSA-N 267.319 3.855 30 20 CHED Fc1ccc2oc(C=NNCc3ccccc3)cc2c1 741757818 YVOULSRIZPGBCH-UHFFFAOYSA-N 268.291 3.696 30 20 CHED COc1cccc(CNC2CCC(C)(C#N)CC2)c1C 594999142 NYXUHKNLFHDATK-UHFFFAOYSA-N 272.392 3.566 30 20 CHED CCN(CC)c1ccnc(NN=C2CCC[C@H]2C(C)C)n1 747765929 KACINQMBBSSQHI-ZDUSSCGKSA-N 289.427 3.547 30 20 CHED CN(C(=O)c1cccc(C(C)(C)C)c1)c1ccc(C#N)nc1 594057995 OFAAQPWINWBICW-UHFFFAOYSA-N 293.370 3.527 30 20 CHED N#Cc1cccc(OCCCOc2cccc3cnoc23)c1 590584524 NQNQVTUFIZHKHF-UHFFFAOYSA-N 294.310 3.547 30 20 CHED CCC[C@H](C)OC(=O)c1cc2ccccc2n1CC#N 748124743 KAERMCBGFQHECJ-LBPRGKRZSA-N 270.332 3.510 30 20 CHED N#CC1(CC(=O)OCCOCC2CCCC2)CCCCC1 849907279 ZXGNWQHTRGAPHT-UHFFFAOYSA-N 293.407 3.601 30 20 CHED Cc1ccc(NC(=S)N2CCC[C@@H](CC#N)C2)c(C)c1 849271407 JFNBBMWPUOGLKC-AWEZNQCLSA-N 287.432 3.626 30 20 CHED Cc1cc(/C=C2\C(=O)c3ccsc3S[C@H]2C)nn1C 840716885 OJNJTNOPTGHYNW-PPLKPFPSSA-N 290.413 3.551 30 20 CHED C=CCN(Cc1cnc(CC)o1)Cc1ccccc1F 929328657 SXDXNVXTCRITSO-UHFFFAOYSA-N 274.339 3.564 30 20 CHED CC[C@H](CON=C(C)c1cc2ccccc2o1)OC 842017969 VYVPIKZVTQGMMF-CYBMUJFWSA-N 261.321 3.598 30 20 CHED C=C(C)CCc1noc([C@]2(c3ccccc3)CCCO2)n1 924066736 FSLGJSDIORKZEQ-QGZVFWFLSA-N 284.359 3.632 30 20 CHED c1ccc([C@@H]2CCCC2=NO[C@@H]2CCCCO2)cc1 755817588 MXYVZIBJTFFGBF-GOEBONIOSA-N 259.349 3.853 30 20 CHED COc1ccc(C(C)=NN[C@@H](C)c2ccccc2)c(OC)c1 920385661 FLEJUDXCXSWNMG-ZDUSSCGKSA-N 298.386 3.779 30 20 CHED COc1cccc(/C=N\[C@@H]2CCC[C@H](C)[C@H]2C)c1O 920943525 ZSOMUTHEMRLRFQ-RQSUVKSXSA-N 261.365 3.644 30 20 CHED Cc1ncsc1/C=C/C(=O)c1ccc2c(c1)CCCO2 853010856 OLWLHQKUVYVWBQ-FNORWQNLSA-N 285.368 3.673 30 20 CHED CC1(C/N=C/c2c(O)ccc3ccccc23)CCOCC1 753138402 NOFQUNUUPKWOAN-XDHOZWIPSA-N 283.371 3.781 30 20 CHED CC(C)c1ncc(C=NNc2ccccc2[N+](=O)[O-])s1 758359189 OMYOCIBVLRRZJM-UHFFFAOYSA-N 290.348 3.621 30 20 CHED CC(C)CCOc1ccc(C=NO[C@H]2CCCCO2)cc1 755822829 VMKYXKAGKOGOIJ-KRWDZBQOSA-N 291.391 3.989 30 20 CHED CCCCCCCNC(=O)N[C@@H](C)c1ncc(C)s1 858110820 JYMRDUGQDTVULW-LBPRGKRZSA-N 283.441 3.782 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1cccc(OCC(F)F)c1 931560077 MVIQLBORNSVPEN-LBPRGKRZSA-N 297.345 3.549 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 930486767 SVMJIHBAUINHSR-GFCCVEGCSA-N 297.402 3.697 30 20 CHED N#Cc1cccc(COC(=O)C2(c3ccccc3)CCC2)c1 756738858 XEOWZIORARYQRG-UHFFFAOYSA-N 291.350 3.723 30 20 CHED C=CC[C@H](C(=O)OCC(C)(F)F)c1ccccc1 861222806 CKWHGLZUAPQDJM-LBPRGKRZSA-N 254.276 3.545 30 20 CHED CCCCCCCNC(=O)c1cnn(CC(C)C)c1C 862357643 BBJFRNKMPZMJFV-UHFFFAOYSA-N 279.428 3.548 30 20 CHED CC(C)CC(=NNc1ccc(Cl)nc1)c1ccccn1 760260835 VCAZOHJGUUUCCP-UHFFFAOYSA-N 288.782 3.992 30 20 CHED CC(C)[C@H]1CCCCC1=NNc1cncc(Cl)n1 764685397 UZEVTQIVLUNFSY-SNVBAGLBSA-N 266.776 3.744 30 20 CHED C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)OCCCCC(C)(C)C#N 768718340 KMRMKLFCNOTQJN-ZNMIVQPWSA-N 294.439 3.511 30 20 CHED Cc1cccc(CC(=O)OCCCCC(C)(C)C#N)c1 768669786 MIFQESPFXKNTHY-UHFFFAOYSA-N 273.376 3.801 30 20 CHED C[C@H](OC(=O)CC1CCSCC1)c1cccc(C#N)c1 762076939 UWJABVYODQSPRJ-LBPRGKRZSA-N 289.400 3.696 30 20 CHED C[C@@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)C(C)(C)C#N 765957632 FTQKUCIXTHAWSN-SMYYYNMVSA-N 282.343 3.663 30 20 CHED Cc1cccc(NC(=S)NN=C[C@@H](C)CCC#N)c1C 765993387 MODASGGQPGRZGI-NSHDSACASA-N 288.420 3.516 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 767236385 CJQIRTIEBGOIGV-CAIZAGQASA-N 295.426 3.516 30 20 CHED Clc1ccc(NN=C2C[C@H]3CCCc4cccc2c43)nn1 763339600 RKZKVJKSOYRZLD-LLVKDONJSA-N 298.777 3.770 30 20 CHED FC(F)(F)CON=Cc1ccc2ccccc2c1 764847258 WMIGHMSWTGEKED-UHFFFAOYSA-N 253.223 3.753 30 20 CHED C=C(CN(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 763901645 MQTUQGFWDNUONL-UHFFFAOYSA-N 296.370 3.535 30 20 CHED Clc1cccnc1NN=Cc1cnc(C2CC2)s1 761810860 DMVATEMMJJWYML-UHFFFAOYSA-N 278.768 3.515 30 20 CHED COCc1ccc(C=NNc2cccc(Cl)c2)o1 764657163 FWDZRPVUFCBFFD-UHFFFAOYSA-N 264.712 3.525 30 20 CHED CC[C@@H](CC#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 762720133 XJLRUOOKIXFINE-LOACHALJSA-N 276.424 3.958 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1occc1C 767783899 YZKNUVSEKAMLHI-UHFFFAOYSA-N 293.710 3.986 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCC(C)(C)OC)cc1 766586250 WFNNPCCIGNQWGT-ZDUSSCGKSA-N 297.826 3.894 30 20 CHED Cc1c(C(=O)OCCCCC(C)(C)C#N)cnn1C(C)C 768830377 AOYMOADKEWAZJF-UHFFFAOYSA-N 291.395 3.649 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1cc(F)ccc1F 860197521 JHZRDBCVUVZRMP-JTQLQIEISA-N 281.302 3.899 30 20 CHED CCCCCCCC(=O)N[C@H](C)CC(F)(F)F 766621683 UZBFUANNYAMCDX-SNVBAGLBSA-N 253.308 3.804 30 20 CHED CC(C)O[C@H](CNCc1ccc(C#N)cc1)c1ccccc1 876938780 BMVOHGCWXLGMCV-LJQANCHMSA-N 294.398 3.814 30 20 CHED C#CCCCN[C@H](COc1ccccc1)c1ccccc1 775392524 IWRCKJBYLZPYAC-LJQANCHMSA-N 279.383 3.810 30 20 CHED CC(=NOCCC(F)(F)F)c1cc(F)c(F)c(F)c1 777458902 FQSWLJPWASQJCN-UHFFFAOYSA-N 285.187 3.797 30 20 CHED C[C@@H](C#N)CNN=Cc1cccc(Oc2ccccc2)c1 771107596 OFTVBPMBWNNMGD-AWEZNQCLSA-N 279.343 3.562 30 20 CHED CC(=NNc1cccc(Cl)c1)[C@@H]1CCCOC1 779752169 IRRYSRODKJFFFO-LLVKDONJSA-N 252.745 3.554 30 20 CHED Fc1c(Cl)cccc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 774595227 ALNTTZVUORDLAS-OUJBWJOFSA-N 266.747 3.591 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc2cc(C)c(C)cc2o1 1116369671 QYSHUNMEBBIZGS-UHFFFAOYSA-N 281.355 3.535 30 20 CHED C#CCCCCCC(=O)Nc1nc(-c2ccccc2)ns1 779850183 IRRDODDXHWOIGI-UHFFFAOYSA-N 299.399 3.727 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NNCC(F)(F)F 872366695 IGAYFESWFXVAOA-UHFFFAOYSA-N 283.297 3.628 30 20 CHED Cc1ccc2c(c1)CCN2Cc1ccc(F)c(C#N)c1 773651147 QLMLUAZUDIIOKK-UHFFFAOYSA-N 266.319 3.569 30 20 CHED Cc1cccc(C(=O)O[C@H](C#N)C2CCCCC2)c1F 776396231 DSSLAEGYNJNICX-CQSZACIVSA-N 275.323 3.763 30 20 CHED C#CCCCCCC(=O)N(C)Cc1cc(F)c(F)c(F)c1 779948321 QHRAFNZLEWKHFE-UHFFFAOYSA-N 297.320 3.646 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCO[C@@H](C)C1 770848007 ZEMCJLFKFIDJMO-GJZGRUSLSA-N 269.429 3.668 30 20 CHED C#CCCCCN[C@@H](CC)c1cc(Cl)ccc1O 775527857 VJRTYKYIZXTUQI-AWEZNQCLSA-N 265.784 3.890 30 20 CHED C[C@@H]1CCC[C@H]1Nc1c(Br)cccc1C#N 1559100243 JKUSCHQNCBFSTO-BXKDBHETSA-N 279.181 3.921 30 20 CHED C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(N(C)C)cc1 775833000 DYWMVJDTHSWOKH-OAHLLOKOSA-N 293.414 3.669 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)c1ccc(Cl)cc1 1121160793 JUMZBNRVNOIMPG-SMDDNHRTSA-N 278.783 3.594 30 20 CHED C=CCC1(O)CCN([C@@H]2CCCc3ccc(F)cc32)CC1 886773977 FJWNJFGHOVCTII-QGZVFWFLSA-N 289.394 3.606 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccccc2C(C)C)n1 1129379011 SIQZSKQBJBQPIA-UHFFFAOYSA-N 279.343 3.637 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 783776261 HLGAHGJCAKKALP-GFCCVEGCSA-N 272.270 3.672 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 785851159 JKLMOXBWKAIFLY-SHQCLWGWSA-N 275.779 3.920 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](C)C1CCCC1 780148333 KILFJFHMUMYVHG-QWHCGFSZSA-N 286.375 3.742 30 20 CHED Cc1ccnc(NN=C2CCOC3(CCCCC3)C2)c1 884435180 NIVGJAPUANSLPO-UHFFFAOYSA-N 273.380 3.671 30 20 CHED C=C1CCC(C(=O)N[C@](C)(CC)c2nc(C)cs2)CC1 889196432 OAKJRIPLCZYNDF-MRXNPFEDSA-N 292.448 3.939 30 20 CHED C#CC[C@@H](OC(=O)c1cc2ccsc2[nH]1)C(C)(C)C 781556418 COLUWGJMEYARBJ-GFCCVEGCSA-N 275.373 3.824 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCC[C@H](SC)C2)CCCCC1 788223345 COHSBEJROUULIM-CABCVRRESA-N 293.476 3.751 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](c3ccccc3)C2)CC1 888577213 WSUADVPRMWBETC-QGZVFWFLSA-N 269.388 3.749 30 20 CHED Cc1ccc(NN=Cc2ccc(C(=O)O)cc2Cl)cc1 783770599 AHAFUYRRCSBKCD-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C=C1CC(c2noc(CCCSC(C)(C)C)n2)C1 896884024 UNLCFDZWXLUYPS-UHFFFAOYSA-N 266.410 3.968 30 20 CHED CCOCCC=NNC(=S)Nc1ccc(C(C)C)cc1 788414031 GCTFRXJJQFMKSH-UHFFFAOYSA-N 293.436 3.509 30 20 CHED Cc1cccc(C(=O)/C=C\c2cn(C)nc2C2CC2)c1 899340906 OMTVXXHFYFEVML-HJWRWDBZSA-N 266.344 3.502 30 20 CHED CC(C)[C@H](Cc1ccccc1)NC(=O)c1csc(C#N)c1 1133739231 OADXJYAOCZONQF-INIZCTEOSA-N 298.411 3.617 30 20 CHED C#CCC1(C(=O)N[C@H]2CCC[C@H]2SCC)CCCCC1 788514229 GOGLTXCQTKNMTR-LSDHHAIUSA-N 293.476 3.751 30 20 CHED CCCC(=CC(=O)N1CCC[C@](C)(C#N)C1)CCC 784747739 UCJLKMIKFRLXPP-MRXNPFEDSA-N 262.397 3.665 30 20 CHED C=CCCCCCOC(=O)CC[C@@H]1CC[C@@H](C)O1 783942834 HIBMOZDXYUFIEI-KGLIPLIRSA-N 254.370 3.624 30 20 CHED C=C1CC(c2noc(Cc3csc(-c4ccoc4)n3)n2)C1 896885106 QBTPRLVNCNFREY-UHFFFAOYSA-N 299.355 3.811 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)[C@@H](C)c1ccccc1 780252126 GLMBGXDLOSDIBP-CZUORRHYSA-N 274.408 3.713 30 20 CHED N#Cc1ccc(N[C@@H](c2ccccn2)C2CC2)c(F)c1 895794675 YAAYEEIMCAHZIQ-MRXNPFEDSA-N 267.307 3.656 30 20 CHED CCOc1ccc(C(C)=NNc2ncccc2C)cc1 790190776 LUCCDIINKPKZKQ-UHFFFAOYSA-N 269.348 3.625 30 20 CHED C=CC[C@H](C)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 166145530 ULBXPCXNRSNGPI-RRFJBIMHSA-N 296.455 3.624 30 20 CHED C=CCOc1ccccc1-c1nc(CCCCF)no1 897203180 KNQDMFCRTCOUFU-UHFFFAOYSA-N 276.311 3.594 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1CCOC[C@H]1C 797079605 PUBOTHQFPPDBQK-OWCLPIDISA-N 253.430 3.774 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1ccccc1 793129617 PFVKEYAJROYANJ-SJORKVTESA-N 298.430 3.971 30 20 CHED C[C@@H]1CCC[C@@H](C=NNCc2ccccc2N(C)C)C1 794948888 GVCZMKMIYHXADE-HUUCEWRRSA-N 273.424 3.654 30 20 CHED C=CCCCCN(C)Cc1nc([C@@H](C)SCC)no1 580933450 MEHQHFVXFFPLCX-GFCCVEGCSA-N 283.441 3.672 30 20 CHED C=C1CCC(c2nc(CC3(CSC)CC3)no2)CC1 896818539 JWKRMBUGTLIKLB-UHFFFAOYSA-N 278.421 3.969 30 20 CHED CC/C=C\CCOC(=O)C[C@H](CC#N)c1ccccc1 795981206 MIPRXVFDFSKWNY-QGZUEGPWSA-N 271.360 3.973 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@H](CC)c1ccc(C)cc1 791201778 LZRZITXMFDMBCN-DOTOQJQBSA-N 271.404 3.797 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C/N=C/c1c(O)ccc2ccccc12 797785067 SLGSOHSGDUZPGA-PNZWGNKRSA-N 295.382 3.946 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)Cc1cnccn1 793524710 HKYGMTFCCOZDMF-GJZGRUSLSA-N 261.413 3.522 30 20 CHED CC(=NNc1ccc(Br)cc1)c1cc(C)on1 790290658 MURHWMTZNICGMO-UHFFFAOYSA-N 294.152 3.582 30 20 CHED C=CCSCCN[C@H](C)c1csc(Cl)c1 191352848 HCSONGRWOKMGHR-SECBINFHSA-N 261.843 3.971 30 20 CHED C=C[C@@H](OC(=O)c1ccc(NC(C)=O)c(F)c1)C(C)(C)C 798903090 QVBQURTUEPDJNH-CQSZACIVSA-N 293.338 3.542 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1ccnn1C(C)C)C2=O 794938333 OIIAWVDIPCAKDG-ZROIWOOFSA-N 296.370 3.740 30 20 CHED CC[C@@H](CNc1cc(C#N)ccc1OC)CC(F)F 594702850 YGWVZJVTPOGKIZ-SNVBAGLBSA-N 268.307 3.660 30 20 CHED C#C[C@@H](NC(=O)N[C@H](CCC=C)c1ccccc1)C(C)C 798544710 RJUCPPJFLQKRRJ-IAGOWNOFSA-N 284.403 3.651 30 20 CHED C[C@@]1(C=NNc2ccc(C#N)c(Cl)c2)CCCS1 793040712 IBNJITIHZVRTLZ-ZDUSSCGKSA-N 279.796 3.895 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCCCCCC 798039386 UAMFKKHJDDCJES-WBVHZDCISA-N 281.440 3.834 30 20 CHED CC(C)(CCC#N)COC(=O)c1cc2ccsc2[nH]1 798877339 YFINGXYBQHSKKP-UHFFFAOYSA-N 276.361 3.716 30 20 CHED CC(C)c1occc1C(=O)OCc1ccc(F)cc1C#N 796398722 ZFPDWHUWVHZCFN-UHFFFAOYSA-N 287.290 3.771 30 20 CHED C/C(=C/Cl)CSCc1ccc(OCC#N)cc1 797811306 DIRCRSJCJZDZMD-FLIBITNWSA-N 267.781 3.965 30 20 CHED CCC(=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCOCC1 794541110 IJWTWSQPUGGUHW-QGPMSJSTSA-N 292.467 3.983 30 20 CHED COc1csc(C(=O)Nc2ccc(Cl)cc2C#N)c1 695725645 PDZFVBBEGVZJNI-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC[C@H](CNc1cc(C)c(C#N)cn1)Oc1cccc(F)c1 1306989236 ZGFFXNPCTTXXGM-OAHLLOKOSA-N 299.349 3.670 30 20 CHED C=C(CC)CNC(=O)c1nc(-c2ccccc2)oc1C1CC1 1325428459 SZJZANPIXCTZPV-UHFFFAOYSA-N 296.370 3.915 30 20 CHED C=C1CC(c2noc(C3(Oc4ccccc4)CC3)n2)C1 1333746023 RPILADMOMVMUHP-UHFFFAOYSA-N 268.316 3.571 30 20 CHED CCOc1ncccc1CN[C@H](CC)c1cccc(C#N)c1 1334812110 BEERWGHLGWKRRL-QGZVFWFLSA-N 295.386 3.593 30 20 CHED C=C(C)CCC(=O)NC[C@@H](c1ccsc1)N(CC)CC 1338776469 DDQHPEWRKLBCLM-HNNXBMFYSA-N 294.464 3.604 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2cccc(Cl)c2o1 1337716277 OZKJOQZEBOPFLZ-NSHDSACASA-N 290.750 3.850 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1ccc(OCC#N)cc1 1343504376 VBBLYWZIWVIBAJ-CYBMUJFWSA-N 289.379 3.631 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C#N)c(F)c2)ccc1F 1341839532 VEZJOJJIXOBBIH-CLTKARDFSA-N 299.276 3.741 30 20 CHED COC1([C@@H](C)Nc2ccc(OCC#N)cc2)CCCCC1 1261389292 HQBVZRTUEAFAHM-CQSZACIVSA-N 288.391 3.739 30 20 CHED CC[C@@H](CNC(=O)c1csc(C#N)c1)c1ccccc1 1261253616 JFFICNOLJZWLIR-LBPRGKRZSA-N 284.384 3.543 30 20 CHED CCC(=O)c1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1 1279277625 UYBIMVQYLYDHFZ-UHFFFAOYSA-N 292.338 3.712 30 20 CHED C=C(C)CN(CC)C(=O)CCCCc1cccc(O)c1 1350891747 DLZUXBGBXZMEAX-UHFFFAOYSA-N 275.392 3.530 30 20 CHED N#Cc1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 513771 GBQLQSRWJAZKBZ-JXMROGBWSA-N 282.730 3.864 30 20 CHED C=C(C)CCC(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 1358475847 UHCVSUZHQHOKBB-IIDMSEBBSA-N 287.403 3.720 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc3oc(C)nc3c2)c1 1436713272 FIOYWXXWQDPIIT-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C[C@@H](CC(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 108680848 GGHGXAJAGVAMOB-LBPRGKRZSA-N 258.365 3.763 30 20 CHED CCCCC(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1517123646 MJPAMQQYCHSMCP-SECBINFHSA-N 275.739 3.583 30 20 CHED CCc1c(C(=O)Nc2cc(C#N)ccn2)oc2ccccc12 1516838644 RTQAPNYLTJKKQK-UHFFFAOYSA-N 291.310 3.514 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2cc(C#N)ccc2C)c1 1517417298 NATIGVLCZGYACK-UHFFFAOYSA-N 278.355 3.760 30 20 CHED C=C(C)Cn1c([C@H]2CCCC2(F)F)nnc1N(CC)CC 1515333418 PILWUGHYIQVGDT-GFCCVEGCSA-N 298.381 3.603 30 20 CHED Cc1cc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)c(C)o1 1535034446 MTEBPCREKZYVSQ-UHFFFAOYSA-N 288.734 3.698 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2ccc(C(=O)O)cc2)cc1 1600401695 WQADTRBSABGYDR-INIZCTEOSA-N 297.379 3.920 30 20 CHED C[C@@H]1C/C(=C/c2ccc(C(=O)O)[nH]2)C(=O)c2sccc21 1609841208 NJPPBYDMLOIAOS-XZZQCUQZSA-N 287.340 3.548 30 20 CHED N#Cc1c(F)cccc1CNC[C@@H]1CCC[C@@H]1C1CC1 1462340847 JDLBIIQCGJEOQQ-DZGCQCFKSA-N 272.367 3.613 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1cccc(OC(F)F)c1 1536086917 SAYOGXZXEZUVIJ-ZUZCIYMTSA-N 297.301 3.832 30 20 CHED O=C(O)c1ccc(/C=C2/CCCc3ccccc3C2=O)o1 1602331699 OZPJPOQOKRKGQV-BENRWUELSA-N 282.295 3.580 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C)C[C@H]2C)cc1C#N 1530244713 AYYYBCYAMPKDQF-AXAPSJFSSA-N 271.360 3.848 30 20 CHED C=C(CC)C(=O)N[C@H](c1c[nH]c2ccccc12)C(F)(F)F 1548704755 YSVULDPZSFBXKZ-CYBMUJFWSA-N 296.292 3.854 30 20 CHED Cc1nc(Sc2nc(C(C)C)cs2)ccc1C#N 1472823924 NMJXRTMHBFZEDF-UHFFFAOYSA-N 275.402 3.993 30 20 CHED C[C@@H]1CCC[C@H](CNCc2ccc(C#N)cc2F)C1 227596547 FCVNIJCGHFCUMY-OCCSQVGLSA-N 260.356 3.613 30 20 CHED Cc1nnc(NCC2CCC(C(C)C)CC2)c(C#N)c1C 1559134592 BGLSTFYMBUTIIF-UHFFFAOYSA-N 286.423 3.839 30 20 CHED Cc1csc2ncnc(Nc3cccc(CC#N)c3)c12 1559191852 AQBYAKOBPSRIIG-UHFFFAOYSA-N 280.356 3.809 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC1(C)C 228842659 DIZSRQCJYUKQEM-ZDUSSCGKSA-N 256.349 3.632 30 20 CHED N#Cc1ccc(OC[C@H]2CCC3(CCCC3)O2)cc1F 229497917 KCLABGKMVTZXJE-CQSZACIVSA-N 275.323 3.568 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)NC[C@H](C)C#N 1634156019 OUATWXYYAIUDBF-HUUCEWRRSA-N 281.444 3.784 30 20 CHED Cc1ccccc1SC[C@H](C)CN1CC[C@](F)(C#N)C1 1642732262 URNNBZNDSIJCTB-CJNGLKHVSA-N 292.423 3.661 30 20 CHED N#Cc1cnnc(Oc2ccc(SC(F)(F)F)cc2)c1 1651047745 JNSVUSQKRZXGSN-UHFFFAOYSA-N 297.261 3.752 30 20 CHED CCN(CCNc1nccc(C)c1C#N)c1cccc(C)c1 1651311739 SEEZVLRXOYTPKB-UHFFFAOYSA-N 294.402 3.509 30 20 CHED C[C@H]1C[C@H](C)N(c2ccc(C#N)c(C(F)(F)F)c2)C1 123450602 HQFHABBOABGZER-UWVGGRQHSA-N 268.282 3.812 30 20 CHED CC[C@@]1(C)CCCC1=NNc1cccc(C(=O)O)c1 1776037471 JPHINNWWFVOQGU-HNNXBMFYSA-N 260.337 3.753 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)Cc1cccc(C#N)c1 248039711 KNOUTVOXFMNLPV-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1c(CC)noc1C 162863963 DAOPVGUDXCDLTD-UHFFFAOYSA-N 297.402 3.829 30 20 CHED C=CCC[C@@H](NCc1ccn(C)c1)c1ccccc1 160037269 FMLLDTCQIUGZOO-QGZVFWFLSA-N 254.377 3.822 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)c1ccc(Br)cc1 163004754 GWUZZVVQPOHZQH-QWRGUYRKSA-N 296.208 3.633 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc1 200796345 CRGSUAQLKYRWDA-JYRVWZFOSA-N 265.356 3.957 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1 152281022 CBTFYLICSIFZEY-NWDGAFQWSA-N 265.784 3.599 30 20 CHED C[C@@H](CCSc1ccccc1)N1CCC(C#N)CC1 153337440 HHRUAHNRPXIGRT-AWEZNQCLSA-N 274.433 3.793 30 20 CHED N#Cc1csc(CN2CC[C@H](c3ccccc3)C2)c1 155076961 NHRRKWOOXVEEOD-HNNXBMFYSA-N 268.385 3.609 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccccc2F)cc1 153928836 OATNIYBSDZBODS-CQSZACIVSA-N 283.346 3.689 30 20 CHED CC1(c2ccccc2)CCN(c2ccc(C#N)cn2)CC1 157589160 YEISGVNZTYXOGB-UHFFFAOYSA-N 277.371 3.511 30 20 CHED CC(C)(C)c1cc(NC(=O)c2ccco2)c(C#N)s1 154264096 FXPHXHSVHRIWMA-UHFFFAOYSA-N 274.345 3.763 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)c(Cl)c1 154270531 RXPOVJPDPLRKMU-IAQYHMDHSA-N 290.794 3.862 30 20 CHED C=C(C)CCOc1ccc(Br)cc1C#N 159060687 ANAVJXQHQZJSPD-UHFFFAOYSA-N 266.138 3.666 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)CCc2ccccc2)oc1C 159310578 MQZNEEKIXXHZKX-SFHVURJKSA-N 296.370 3.541 30 20 CHED C#Cc1ccc(CNc2ccc(OCC)c(F)c2)cc1 809597873 OTYANOLAXCNPQE-UHFFFAOYSA-N 269.319 3.818 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(F)cc(C#N)c2)s1 1287803551 OSXWWTUQHBHINL-UHFFFAOYSA-N 274.320 3.628 30 20 CHED COc1cc(CNc2cc(C)cc(C#N)c2)ccc1F 1308438506 QIBIERWTGXGOPQ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1cccc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1 37115825 XASIBJHTJKKLIO-UHFFFAOYSA-N 253.261 3.519 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1cccc(O)c1 36138893 FEPAAGDWBNLDGF-JTQLQIEISA-N 256.280 3.576 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(Cl)c1 162914735 XWXSNPHPHBKFAR-BBRMVZONSA-N 274.795 3.976 30 20 CHED CSCC1CCC(NCc2cccc(C#N)c2)CC1 296492940 QMXGOGMTJURQMJ-UHFFFAOYSA-N 274.433 3.570 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2C2CCCCC2)n1 301523849 IAHFQBMAQPWVTQ-OAHLLOKOSA-N 255.365 3.502 30 20 CHED Cc1cccc(C)c1CNCCc1cccc(C#N)c1 466427451 ZRTUJYBVTKKPRR-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C=C(C)CSCc1cccc(Br)n1 308274981 VDHUPDKQSXOMCV-UHFFFAOYSA-N 258.184 3.653 30 20 CHED C=CCSCCNc1ccnc2ccsc12 309610785 MQKNMZZQFKCDEJ-UHFFFAOYSA-N 250.392 3.627 30 20 CHED Cc1nc(Oc2cc(Cl)ccc2C#N)ccc1C#N 311895741 DXUCVMVZJWHNGJ-UHFFFAOYSA-N 269.691 3.579 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CC3CCC2CC3)cc1 312872546 UKABUOOJOZVMET-XUJLQICISA-N 268.360 3.517 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2cccc(CC#N)c2)C1 313455627 YANYLVLDFJSBSM-GXTWGEPZSA-N 256.349 3.517 30 20 CHED C[C@@H](CNCc1cc(C#N)ccc1F)c1ccccc1 83510122 HMDJIUUNYTXVLK-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED CC[C@H](C)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 86037518 YTPAAIFCNWFRTM-JCAIJIATSA-N 256.393 3.635 30 20 CHED C=CCOc1ccc(CN[C@H]2CC=C(C)CC2)cc1 646192947 VKFLKPQNUWHAIE-INIZCTEOSA-N 257.377 3.840 30 20 CHED CCCc1sc(C(=O)N(CC#N)CCC)cc1CC 499328065 CNEGLGGUKQCBOV-UHFFFAOYSA-N 278.421 3.639 30 20 CHED C=CC[C@H](C)N[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 788256838 HUWYPMPACCHIRZ-SOUVJXGZSA-N 296.455 3.767 30 20 CHED N#Cc1ccc(NCC[C@H]2C[C@H]3CC[C@H]2O3)cc1Cl 413399892 BZRJGGOJQZBEGU-PSOPSSQASA-N 276.767 3.581 30 20 CHED N#Cc1cccc(NC(=O)Cc2ccc3ccccc3c2)c1 8114922 LUTCAXGFIWWBHE-UHFFFAOYSA-N 286.334 3.893 30 20 CHED C[C@@H](SCC(=O)c1cccn1C)c1ccc(C#N)cc1 118446619 SHAMWDHTEHVTCK-GFCCVEGCSA-N 284.384 3.574 30 20 CHED C#CCCCCC(=O)N(C)Cc1cc2ccccc2o1 119947048 SQKCZPJGRPWNIR-UHFFFAOYSA-N 269.344 3.585 30 20 CHED COCc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1 173017933 AEPJGPGQESMIDT-YBEGLDIGSA-N 294.350 3.751 30 20 CHED C=CCN(Cc1ccccc1F)C[C@@H](O)c1ccccc1 56312468 HQTOPBSIRQBKIV-GOSISDBHSA-N 285.362 3.547 30 20 CHED C=CCn1c(SC/C(Cl)=C/Cl)nnc1C1CC1 174140559 CLFYTQDWSWYSQE-TWGQIWQCSA-N 290.219 3.753 30 20 CHED C=C(C)CNC(=S)N(C)Cc1ccc(C(C)C)cc1 57786373 VTFMDKVDSAYCMJ-UHFFFAOYSA-N 276.449 3.692 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 110361549 JXWXRQDZBSDJLG-QWHCGFSZSA-N 289.341 3.780 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1coc2cc(C)c(C)cc12 116852451 BBYJMOUPYNDNHL-CYBMUJFWSA-N 271.360 3.673 30 20 CHED C=CCCCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 175612730 IYDYIXBXHFGHOK-AWEZNQCLSA-N 293.432 3.612 30 20 CHED CCC[C@H](NC(=O)NCCCCC#N)c1ccccc1 170886927 VHUXIWVVAVFNFO-HNNXBMFYSA-N 273.380 3.521 30 20 CHED Cc1cc(F)cc2c(N3CC[C@H](C)[C@H]3C)c(C#N)cnc12 301492895 PTMXYDIYVXVPTP-CMPLNLGQSA-N 283.350 3.789 30 20 CHED CC[C@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 119861069 UKHFRNZDRPVWJX-DOMZBBRYSA-N 275.783 3.824 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1cccc(Cl)c1O 179721909 UUVONMGNKMNEBB-CMDGGOBGSA-N 298.729 3.569 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1cccc([N+](=O)[O-])c1 111681906 DVOKYABWMUWQOO-KHPPLWFESA-N 297.310 3.890 30 20 CHED C=CC1CCN(C(=O)/C=C(\C)c2ccccc2OC)CC1 110362431 BASFQNQDQDYYKG-BUHFOSPRSA-N 285.387 3.523 30 20 CHED COc1ccccc1CCNc1c(Cl)cccc1C#N 303511687 SYVWUNJUJUMJQQ-UHFFFAOYSA-N 286.762 3.875 30 20 CHED CCCC/N=C(/N)N[C@H](C)c1ccc(Cl)cc1Cl 303703536 JMESTCPQTWBGGG-SECBINFHSA-N 288.222 3.759 30 20 CHED CCCCCCCCCC(=O)N[C@]1(C#N)CCSC1 124575595 PLLVWHVLGSCJMT-HNNXBMFYSA-N 282.453 3.643 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)c1ccc(C#N)cc1 301287322 RWYCILZRPQCABW-GFCCVEGCSA-N 254.308 3.895 30 20 CHED CCO[C@H](C)c1nc(COc2ccc(C#N)cc2)cs1 119956666 UXTJPVAZKUGZEX-LLVKDONJSA-N 288.372 3.691 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1cc2ccccc2[nH]1 1352043195 RQCADOZUQIOKFV-CYBMUJFWSA-N 270.376 3.729 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(C#N)c1C 178814259 XJVRHGXHDZJNBH-KBPBESRZSA-N 296.395 3.979 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCC(C)C 126365348 KCCFGWIZWASPNT-UHFFFAOYSA-N 251.395 3.699 30 20 CHED C[C@@H]1CCC[C@@H](N(C)c2snc(Cl)c2C#N)C1 301124105 VGGHRKPUBPECAM-RKDXNWHRSA-N 269.801 3.683 30 20 CHED N#CCCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 180578414 LKZXMGDGJBCKQK-LBPRGKRZSA-N 274.261 3.713 30 20 CHED Cc1cc(OCc2cccc(F)c2F)ccc1C#N 434646875 DGMAZFPIRUHZLV-UHFFFAOYSA-N 259.255 3.724 30 20 CHED Cn1c([C@H](C#N)C(=O)CC2CCCCC2)nc2ccccc21 123442811 CVPPROFYSURGNO-CQSZACIVSA-N 295.386 3.720 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc2cc(C)c(C)cc2o1 79602863 RGMVOIDEXFOYAO-NSHDSACASA-N 284.359 3.671 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cccc(Br)c2)C1 185812909 LSQRCTDHSULHPM-BXUZGUMPSA-N 293.208 3.621 30 20 CHED CSc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 186286407 KRCDXSGUWLLUCI-UHFFFAOYSA-N 286.331 3.672 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NCc1ccc(F)c(C#N)c1 123600090 ILTROFQCQIKUER-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C[C@H](NCCCSCC#N)[C@H](C)C1CCCCC1 185498835 IVBGJUPEUXZTFO-KBPBESRZSA-N 268.470 3.828 30 20 CHED Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 37509038 HMDZVGFLOCLMQM-LBPRGKRZSA-N 281.315 3.948 30 20 CHED C=CCC[C@H](C)NCCC1CC(OC(C)(C)C)C1 432410979 UDQYFXINWOEZKA-NFOMZHRRSA-N 253.430 3.915 30 20 CHED N#Cc1cccc(CN2CCCC3(CCCC3)C2)c1 438353908 OIXNMUXNJARGJH-UHFFFAOYSA-N 254.377 3.714 30 20 CHED C=C[C@@H](Cc1nc([C@H](N)CC(C)C)no1)c1ccccc1 414616852 KLLDMPQQPUYIEX-DZGCQCFKSA-N 285.391 3.628 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(C#N)cc1C 186301543 PYPSFJPCSKTBQJ-AWEZNQCLSA-N 276.449 3.830 30 20 CHED C=CC[C@@H](C(=O)N1CC(CC)(CC)C1)c1ccccc1 504118650 IAOHDDSTTUSPPD-MRXNPFEDSA-N 271.404 3.995 30 20 CHED CCN(CCC#N)Cc1nc(-c2ccccc2)cs1 127628428 NAQTXUBQRPZEHU-UHFFFAOYSA-N 271.389 3.546 30 20 CHED N#CCN(CCCc1cccc(F)c1)C1CCCC1 182802827 ANFOGYFKQVZRGW-UHFFFAOYSA-N 260.356 3.526 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416111313 URGRHJAXWYIVNE-ZTFGCOKTSA-N 296.414 3.878 30 20 CHED C=CCC(CC=C)C(=O)NCc1cccc(CSC)c1 187657062 SRGRKYJSNHLDAX-UHFFFAOYSA-N 289.444 3.934 30 20 CHED C[C@H](NCCC[C@H]1CCCCO1)c1ccc(C#N)cc1 186001070 SISODQACCHZGHX-WMLDXEAASA-N 272.392 3.558 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2CCC2CCCC2)nc1 410205415 HPYLAIGEJTVYDG-MRXNPFEDSA-N 269.392 3.892 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C 181398856 KDTGFNYPMUZISG-GFCCVEGCSA-N 297.830 3.565 30 20 CHED CC(C)C1CCC(CNC(=O)CC(C)(C)C#N)CC1 501665947 RUTHISMCMPHUMQ-UHFFFAOYSA-N 264.413 3.505 30 20 CHED C#CCCCCN[C@@H](c1ccccc1)c1ccc(F)cn1 183793526 SEEDEHCFNRVNDQ-SFHVURJKSA-N 282.362 3.703 30 20 CHED C=CCC1(C(=O)Nc2cccc(-n3ccnc3)c2)CCC1 188861374 ILIODTMNOIVPND-UHFFFAOYSA-N 281.359 3.557 30 20 CHED C=C(C)CN(C)C(=O)c1cccc(Oc2ccncc2)c1 180398959 LTRWREZVCUGTDT-UHFFFAOYSA-N 282.343 3.522 30 20 CHED N#Cc1ccc(N[C@H]2CCCc3sccc32)cn1 129646497 GBUNIUGJJSEQTJ-ZDUSSCGKSA-N 255.346 3.504 30 20 CHED CC(C)Cc1ccc(CCC(=O)NCC2(C#N)CCC2)cc1 416347814 QZHVUSJLDBYXKO-UHFFFAOYSA-N 298.430 3.628 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1sccc1C1CC1 70811808 OSZPKYQSBLDQFF-UHFFFAOYSA-N 298.367 3.758 30 20 CHED C[C@H](O)c1ccc(CNc2c(Cl)cccc2C#N)cc1 180428943 SXCCNKRBDGLXTQ-NSHDSACASA-N 286.762 3.877 30 20 CHED Cc1cc(N(C)Cc2cccc(C#N)c2)c(F)cc1[N+](=O)[O-] 320501055 DSKKBCKLETUYRE-UHFFFAOYSA-N 299.305 3.550 30 20 CHED N#Cc1ccc(CSc2nncc3ccccc23)c(F)c1 44157511 HWSDTVRVPHCRNN-UHFFFAOYSA-N 295.342 3.933 30 20 CHED CC#CCCN(CCC)[C@H](C)CC(=O)Nc1ccccc1 502952713 NQCMUYUPWBDWHC-MRXNPFEDSA-N 286.419 3.529 30 20 CHED Cc1cc(C#N)ccc1OCCCOc1ccccc1 608886455 MEWKZHKOJQXCCF-UHFFFAOYSA-N 267.328 3.715 30 20 CHED CC(C)(CNc1ncccc1C#N)c1cccc(Cl)c1 49480221 KTRZKYZYKWCGDT-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CCCCCCCCC(=O)N1C[C@@H](C)OC(C)(C)C1 195699007 GNSMZEQHUFNZQO-CQSZACIVSA-N 269.429 3.763 30 20 CHED CCCCCCCC(=O)N(C)Cc1cnc(C)s1 193778335 UBBGDTILCPRHJR-UHFFFAOYSA-N 268.426 3.770 30 20 CHED CN(C(=O)/C=C/SCc1ccco1)c1cccc(C#N)c1 84923209 MOESUBJBMAYMMR-VQHVLOKHSA-N 298.367 3.561 30 20 CHED C[C@H](SCCCC#N)c1nc(-c2ccccc2)no1 190976264 DTKFPUZYBXEFMR-NSHDSACASA-N 273.361 3.835 30 20 CHED CC(C)(C)/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1 48407512 CPYCPVRNEGFQIM-UHFFFAOYSA-N 291.372 3.531 30 20 CHED C[C@]1(C#N)CCCN(Cc2cccc(Cl)c2F)C1 612407133 ZHHVNTRCOYYHSW-CQSZACIVSA-N 266.747 3.605 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NCCCC(C)(C)C#N 133628328 NRZHUJIZXCOWQB-UHFFFAOYSA-N 261.325 3.645 30 20 CHED Cc1c(C#N)c(SCC(C)(C)CC#N)nc2c1CCC2 519833037 MFLGCWDPEOVGNP-UHFFFAOYSA-N 285.416 3.782 30 20 CHED N#Cc1cccc(NCc2ccc(F)c(C#N)c2Cl)c1 428858144 VMGSTNSFMFNRED-UHFFFAOYSA-N 285.709 3.835 30 20 CHED C=CCC[C@H](NC(=O)c1ccccn1)c1ccccc1 133848694 AIQBIGIKVGASNH-HNNXBMFYSA-N 266.344 3.519 30 20 CHED N#CC1(C(=O)Nc2cccc3ncccc23)CCCCC1 44385493 FKCQRHDFPDFNLP-UHFFFAOYSA-N 279.343 3.647 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCCCN2c2ccccc21 425604397 KGBHEHVNVUEHSJ-HNNXBMFYSA-N 298.430 3.994 30 20 CHED CCSc1ccc(Cl)cc1C(=O)N(CC)CCC#N 133530230 NHHFCZLTISKWQS-UHFFFAOYSA-N 296.823 3.828 30 20 CHED CCOc1ccccc1OCCCOc1ccc(C#N)cc1 41497387 VHKKYURIAJSGJC-UHFFFAOYSA-N 297.354 3.805 30 20 CHED COc1cccc(CN[C@H](CCC#N)c2ccccc2)c1O 130607632 OZJXCPUQUDACMI-MRXNPFEDSA-N 296.370 3.535 30 20 CHED CCOC(=O)Nc1ccc(OCCCC(C)(C)C#N)cc1 135500721 WPIZOBNWKVIYKR-UHFFFAOYSA-N 290.363 3.964 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CC=CCC1 425649528 DOPDQAFDIZQAET-GJZGRUSLSA-N 297.402 3.617 30 20 CHED CC(C)(CC/N=C(/O)[C@@]1(C)CCC(O)=NC1)C1CC1 329326400 JHFKEGPGZGJMSC-HNNXBMFYSA-N 266.385 3.526 30 20 CHED C=C(C)CNC(=O)c1ccc(Sc2ccccn2)cc1 428110311 ANBJTGGYWBRGKM-UHFFFAOYSA-N 284.384 3.539 30 20 CHED Cc1csc(C(C)(C)/N=C(/O)c2ncoc2C2CC2)n1 328884420 MWAUCRNLFUKKLV-UHFFFAOYSA-N 291.376 3.557 30 20 CHED N#Cc1c(F)cccc1COc1cccc2c1CCCC2=O 427552931 MGDZFVLBUOTPRG-UHFFFAOYSA-N 295.313 3.795 30 20 CHED N#Cc1csc(C(=O)NCc2cccc3ccccc23)c1 84075801 SQXBCNVUNFVDPW-UHFFFAOYSA-N 292.363 3.703 30 20 CHED O/C(=N/[C@H]1CCCC[C@@H]1O)Nc1cccc2ccsc12 330249277 MPJAFVIHCDQDFN-AAEUAGOBSA-N 290.388 3.531 30 20 CHED CC[C@H](C)CCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425106318 GXMPQZRIJWNYKE-KBPBESRZSA-N 272.392 3.904 30 20 CHED N#Cc1ccc(/C=C/c2ccc(Br)s2)nc1 193447381 JWJVIAQGPGGWMI-ONEGZZNKSA-N 291.173 3.948 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)c1 333665831 MVQQCUPOXIQZAR-INIZCTEOSA-N 297.402 3.909 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(F)c(C#N)c2)C1 336069888 NLEKEPDMVKQPMY-SCLBCKFNSA-N 295.361 3.675 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1 338804452 RNKWCONNSDLCLN-UHFFFAOYSA-N 296.418 3.758 30 20 CHED COC1(CC(O)=Nc2nc3c(s2)CCCCC3)CCC1 330014757 BCZSTVGUSLVECL-UHFFFAOYSA-N 294.420 3.959 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(C2CCCCC2)n1 161791620 AXAYZFRPARCJHM-GFCCVEGCSA-N 277.437 3.925 30 20 CHED N#Cc1cccc(C#N)c1NC[C@@H]1CCCC(F)(F)C1 336923580 JIFGEDIYSMZASI-LLVKDONJSA-N 275.302 3.667 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1C)c1nc(C)cs1 337801690 IQUDWRMOOZASID-AWEZNQCLSA-N 299.399 3.513 30 20 CHED CS[C@@H](C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N 91209090 QWSSKDUAYTXNAP-VIFPVBQESA-N 296.461 3.997 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(N)ccc21)c1cccc(C#N)c1 335479559 LPMZXCYYGBRCHT-YJYMSZOUSA-N 291.398 3.869 30 20 CHED Cc1cnccc1SCc1cn2ccccc2c1C#N 338623566 FIOPBHAMSJBHPT-UHFFFAOYSA-N 279.368 3.807 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)CCCC#N)CC1 332048443 VNCABWXTGHNBHQ-ZIAGYGMSSA-N 264.413 3.791 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)c1nc2c(s1)CCC2 334179822 BKYLBRBEGMXLIR-JTQLQIEISA-N 269.373 3.677 30 20 CHED COc1ccc(C#N)cc1NC[C@H](C)c1ccc(F)cc1 437803695 SYEGNOMDNOVJLU-LBPRGKRZSA-N 284.334 3.922 30 20 CHED N#Cc1sc(NCCC2=CCCCC2)nc1Cl 236075876 URCDPTKLVYNVGA-UHFFFAOYSA-N 267.785 3.971 30 20 CHED CCOCc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 437663805 BXGQUGIFIGLCNR-UHFFFAOYSA-N 295.342 3.739 30 20 CHED CSc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1Cl 336215334 BCSTVZZLVAOBHF-AMIZOPFISA-N 280.780 3.550 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 436389209 LSMZNDXDBJYHJP-HEHGZKQESA-N 265.360 3.811 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cccc3nc(C)[nH]c23)no1 349693970 QFFJIQFNKFGLGF-JTQLQIEISA-N 298.346 3.575 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1 342500342 VUMMWPMWGHZVDQ-UHFFFAOYSA-N 297.402 3.683 30 20 CHED N#Cc1ccc(CNCc2cc3c(s2)CCCC3)s1 538410003 LPUAKAGFPJWNNU-UHFFFAOYSA-N 288.441 3.850 30 20 CHED N#Cc1ccc(CN(C(=O)[C@H]2CC23CCCC3)C2CC2)cc1 344288439 ISLIDFARTLJMDM-QGZVFWFLSA-N 294.398 3.630 30 20 CHED Cc1ccc(N2CCC[C@H](N[C@H]3CCC[C@@H](C#N)C3)C2)cc1 248806612 KEIJRBYJFSXHIC-SQNIBIBYSA-N 297.446 3.636 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(C)nn1C(C)(C)C 522057501 SUGJUMPZIARIOR-UHFFFAOYSA-N 292.427 3.670 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2c(s1)CCCCC2 432021261 SIIHIGQUTFSLFK-UHFFFAOYSA-N 278.421 3.953 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(-c2ccccc2F)o1 523701562 UHISUCPFSHWWBV-NSHDSACASA-N 286.306 3.508 30 20 CHED C=CCOCCCN(C)[C@H](C)c1c(F)cccc1F 347968460 KETIZJURDSTJIY-GFCCVEGCSA-N 269.335 3.550 30 20 CHED Cc1ccc(Oc2ccc(NC(=O)[C@@H](C)C#N)cn2)cc1C 345773673 YYRSHHPEEJQFHY-ZDUSSCGKSA-N 295.342 3.589 30 20 CHED CCn1cc(/C=C\C(=O)c2cc3cccc(OC)c3o2)cn1 255168145 UDOPAQOXUGIHTH-FPLPWBNLSA-N 296.326 3.554 30 20 CHED N#CC1CCC(CNC(=O)C/C=C\Cc2ccccc2)CC1 602149615 IDRRMLMVJNYVBG-PLNGDYQASA-N 296.414 3.622 30 20 CHED COc1ccc(OCCCON=Cc2cccs2)cc1 255360228 HWZVAXIGLZXSGN-UHFFFAOYSA-N 291.372 3.576 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)C2 255616742 GVFVVBRVSKXSGC-MDWZMJQESA-N 268.287 3.657 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccc(OC)cc1 341089629 IBOUVBRDWDNURY-UHFFFAOYSA-N 299.345 3.663 30 20 CHED CC1CCC(CC(=O)Nc2ccc(C#N)c(C#N)c2)CC1 349989604 CBWTUZLNLJPWQI-UHFFFAOYSA-N 281.359 3.585 30 20 CHED C=CCCOCCCCC(=O)Nc1ccccc1C 342629296 ZPRLSPGBOCZRCR-UHFFFAOYSA-N 261.365 3.697 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N1CC2(CCCC2)c2c(F)cccc21 448847618 LSYOFAMNJMEGHN-SGTLLEGYSA-N 298.361 3.534 30 20 CHED O=C(/C=C\c1ccc(F)cc1Cl)c1cccnc1 255033990 CRNWSEIMBYYTOD-XQRVVYSFSA-N 261.683 3.770 30 20 CHED CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 442903112 SHPMDMATBMLQEW-UHFFFAOYSA-N 294.354 3.814 30 20 CHED C[C@]1(C#N)CCCN(Cc2csc(C(F)(F)F)c2)C1 600144165 IUAXIIHCWPEWIE-GFCCVEGCSA-N 288.338 3.893 30 20 CHED Cc1nn(C)c2cc(NCc3cccc(C#N)c3F)ccc12 359850994 QBOIEALWRWCMRT-UHFFFAOYSA-N 294.333 3.505 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)/C=C\c2ccccc2C#N)C1 255603755 YYQUWFFTIZJPEA-JGYUQMGLSA-N 282.387 3.609 30 20 CHED CC[C@H](NC[C@@H](C)N1CCC[C@H](C)C1)c1ccc(C#N)cc1 447537523 WMMDTJLGIFQLLF-FCEWJHQRSA-N 299.462 3.719 30 20 CHED CCc1nc(CN(C)[C@H](C)c2cccc(C#N)c2)cs1 442690294 JGBIEFHQQNKDPS-GFCCVEGCSA-N 285.416 3.770 30 20 CHED CCC(CC)[C@H](CCNc1ccc(C#N)cc1)OC 446882970 CYAJRQZHFVJQTJ-INIZCTEOSA-N 260.381 3.811 30 20 CHED Cc1ccc(-c2nnc(S[C@H](C#N)C3CC3)o2)cc1C 601068821 GMCUHOJPUZKGEE-CYBMUJFWSA-N 285.372 3.748 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1coc2ccccc12 354347319 XXWUITZFTKTXIC-UHFFFAOYSA-N 292.294 3.565 30 20 CHED CC1(C)CCN(Cc2cccc(OCCCC#N)c2)CC1 353438503 HGGOAPSVRALRTK-UHFFFAOYSA-N 286.419 3.991 30 20 CHED CCN(CCCCC#N)Cc1ccccc1Br 263765643 BNZBUKWBFMCQMU-UHFFFAOYSA-N 295.224 3.965 30 20 CHED N#CCC[C@H](C#N)CN1CCC(Cc2ccc(F)cc2)CC1 264912312 ZMYDADQPMGONJA-QGZVFWFLSA-N 299.393 3.524 30 20 CHED Cc1cc(N2CCCC2)ccc1Nc1cccc(C#N)n1 535888427 PKQWJWQUKNHOLC-UHFFFAOYSA-N 278.359 3.606 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 539748326 IAXCRLCAQOKLBS-ZWNOBZJWSA-N 276.767 3.520 30 20 CHED Cc1cc(CN[C@H](C)COc2cccc(F)c2)ccc1C#N 443975958 BPPZVTJYXGEBEX-CQSZACIVSA-N 298.361 3.563 30 20 CHED Cc1cc(NCCc2nc3ccccc3s2)cc(C#N)n1 357310667 ZKQUPEZGKFFKGN-UHFFFAOYSA-N 294.383 3.526 30 20 CHED N#C[C@@H]1CC[C@@H](NCCOc2cccc3ccccc23)C1 442787548 WYOJNRBOBNESBT-GDBMZVCRSA-N 280.371 3.500 30 20 CHED CC[C@@H]1C[C@H]1CNCc1cccc(OCCCC#N)c1 449483181 GZGWSRIBPVHKEK-CVEARBPZSA-N 272.392 3.505 30 20 CHED C=CCCC[C@H](C)NC(=O)CSCCC(C)C 538422030 GBGUZUZULKQGAM-ZDUSSCGKSA-N 257.443 3.627 30 20 CHED N#CC1(CN2CCCCC[C@@H]2c2ccco2)CCC1 450424780 RIGRUBZCQBYAGW-CQSZACIVSA-N 258.365 3.891 30 20 CHED C=C(CC)CNc1ccc(C(=O)NCCC)c(Cl)c1 536882069 TZPJELKFBKZUCD-UHFFFAOYSA-N 280.799 3.858 30 20 CHED CC(C)(C)C1=CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 450275214 MCERRKWWLRTXRT-SFHVURJKSA-N 286.419 3.665 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 454894260 NYCMCXUFMITVQH-HOCLYGCPSA-N 290.382 3.727 30 20 CHED CCCOc1ccc(CNCc2ccc(C#N)cc2F)cc1 264407310 PHRDKRITBVCNLV-UHFFFAOYSA-N 298.361 3.776 30 20 CHED C=C[C@@H](CC(=O)N(CC)[C@H](C)CC)c1ccccc1 616978585 AAVXUFKUFFKJCK-CABCVRRESA-N 259.393 3.993 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H](C)c1cccc(C#N)c1 611328756 BSJIBIFXOJGUNC-HEHGZKQESA-N 285.391 3.592 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1C#N 369070137 GSYHWDXHIMTVJQ-OAHLLOKOSA-N 296.395 3.906 30 20 CHED C=CCC1(CNC(=O)c2cnn(C(C)C)c2C)CCCC1 456487122 OMLJWJUFJDVIOD-UHFFFAOYSA-N 289.423 3.639 30 20 CHED C[C@H](NCc1nc2c(s1)CCCC2)c1ccc(C#N)cc1 611446475 ZYUXWBRQYCXMRS-LBPRGKRZSA-N 297.427 3.744 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(C)c2ccc(C#N)cc2F)CC1 615193795 LZMQAHAUPHMAAU-MQMHXKEQSA-N 288.366 3.877 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccnc1 456052953 FIACNMZRCRDHOU-DLBZAZTESA-N 292.382 3.942 30 20 CHED CCc1ccc([C@H](C)NC(=O)N(C)CC(C)(C)C#N)cc1 457453689 IXDYVNZXPOJXMY-ZDUSSCGKSA-N 287.407 3.501 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@H]2c2cccc(F)c2)c1 610505494 MPIQZCZZZAFZKD-KRWDZBQOSA-N 284.309 3.783 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2ccc(Cl)cc21 453339571 HBLKCKGXQSFARK-XHSDSOJGSA-N 277.795 3.651 30 20 CHED CCN(CCCSCC#N)c1ccc2[nH]ccc2c1 276442137 UOMACBXULFWWAI-UHFFFAOYSA-N 273.405 3.641 30 20 CHED C[C@H]1C[C@@H](CC(=O)N2CCC(CC#N)CC2)CC(C)(C)C1 542907503 KQMMOJQBODDIMU-HOCLYGCPSA-N 290.451 3.991 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC)c(SC)c1 459706182 ICAHZOKJEYCOBS-UHFFFAOYSA-N 280.393 3.505 30 20 CHED C[C@@H](C(=O)N1CC[C@H](CC(C)(C)C)C1)c1cccc(C#N)c1 457089768 RXYVSZITJYMILL-GDBMZVCRSA-N 298.430 3.946 30 20 CHED CC[C@@H](CSC)N[C@H](CC)c1ccc(C#N)cc1 278699122 KWQMZVFQSGWFRN-LSDHHAIUSA-N 262.422 3.741 30 20 CHED Cc1cc(NC[C@H]2CSc3ccccc32)cc(C#N)n1 450566130 RJVHNPTVALVKLI-LBPRGKRZSA-N 281.384 3.563 30 20 CHED C=C(C)CN1CCC(NC(=O)[C@H](C)CCC(C)(C)C)CC1 543521971 CQISYGUJQIPOEQ-OAHLLOKOSA-N 294.483 3.606 30 20 CHED C=CC1CCN(c2nnc(C(C)(C)C)n2CC(C)C)CC1 549434914 JBIQHGSFYPHZQV-UHFFFAOYSA-N 290.455 3.634 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](CC(F)(F)F)C(C)C 458687948 MWPPYNMPMHEGFZ-LLVKDONJSA-N 294.361 3.865 30 20 CHED N#CCCCC(=O)N1CC2(CCCC2)c2c(F)cccc21 360160235 AEQYJIHLANSQQB-UHFFFAOYSA-N 286.350 3.678 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(C)n(C(C)C)c1C 452780513 YCJUYOBTKIDOIC-UHFFFAOYSA-N 262.397 3.628 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1cccc(F)c1F 543412855 RDOWXSAAUMNEIN-WDEREUQCSA-N 282.334 3.680 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCCCCC#N 362555289 HPYZENOYLWQLLH-LSDHHAIUSA-N 284.403 3.786 30 20 CHED C=CC[C@H](CC)NC(=O)c1nc2ccccc2nc1C1CC1 451627821 ZBQFKYDTEROHPI-ZDUSSCGKSA-N 295.386 3.592 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 541581637 OFNNCGFTEDVUHF-YABSGUDNSA-N 290.794 3.766 30 20 CHED C[C@H]1CN(Cc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 542279798 MPXSUBUTWSXCIL-KXBFYZLASA-N 276.383 3.946 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)cc1OC(C)C 274339400 PJHMDQQGGUGXCQ-UHFFFAOYSA-N 277.339 3.745 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1 276914352 LKWPSLJLKYWMFU-ISTRZQFTSA-N 293.382 3.620 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(C#N)cc1 541581563 FHZOEZWXBVMDEP-LBPRGKRZSA-N 258.365 3.959 30 20 CHED CCN(CC(C)(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 463018505 CSMXQJFRMFFMRS-MRXNPFEDSA-N 286.419 3.969 30 20 CHED N#Cc1cc(NCCc2ccc3c(c2)CCO3)ccc1Cl 544640402 XLAGWMOJIFBPNJ-UHFFFAOYSA-N 298.773 3.801 30 20 CHED Cc1ccnc(N2CCCC[C@@H]2Cc2ccccc2)c1C#N 544066071 JSALQAKOKXYKMP-QGZVFWFLSA-N 291.398 3.863 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CCC)CCc1cccs1 463551140 HZDWYZGCPQLTQV-AWEZNQCLSA-N 295.448 3.510 30 20 CHED C=CCC[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccco1 286343023 YYNYPTCNCDYKDP-UONOGXRCSA-N 263.381 3.834 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 465148202 RBMUTEDQXSFVOU-LLVKDONJSA-N 264.328 3.625 30 20 CHED CC#CCCCC(=O)N1CC(C)(C)[C@H]1c1cccs1 288343961 LNZSNHVFDVHMBX-OAHLLOKOSA-N 275.417 3.851 30 20 CHED CC(C)Oc1cccc(CNCCc2cccc(C#N)c2)c1 466421065 JBHRJGOKHJBROM-UHFFFAOYSA-N 294.398 3.678 30 20 CHED C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@H]1c1ccccc1 377001607 JHTJBVDPCWWSPI-GDBMZVCRSA-N 299.418 3.719 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1ccc2c(c1)CCC2 467457476 WLPQITGFMLWCNX-OAHLLOKOSA-N 290.410 3.940 30 20 CHED C=C[C@H](C)NC(=O)C1(c2cccc(Cl)c2)CCCC1 465121339 SBCXTFUWCPEEQK-LBPRGKRZSA-N 277.795 3.843 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1ccc(CC#N)cc1 469778631 FBBPOXAHRQWKBN-DLBZAZTESA-N 288.460 3.907 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccccc1SC 281741369 HQQXSGNHFVSUPV-CYBMUJFWSA-N 275.417 3.779 30 20 CHED C=CCC1(N[C@H](c2nccn2C)C2CC2)CCCCC1 639246623 GPKNPZRKBGTVCU-HNNXBMFYSA-N 273.424 3.740 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(N(C)C)cc2F)no1 558356175 DLEBDZCNDRIXGJ-INIZCTEOSA-N 289.354 3.795 30 20 CHED CC[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1cccs1 461925034 ZENIRYVUZXNYDK-DOMZBBRYSA-N 298.411 3.991 30 20 CHED C=CCCO[C@H](C)c1nc([C@H]2CCC(F)(F)C2)no1 281347238 KHAUJDWXAGQOME-ZJUUUORDSA-N 272.295 3.626 30 20 CHED C=CCOCCCN(C)[C@@H](C)c1cccc(Cl)c1 470719039 AUYIRCMGDFSPOG-ZDUSSCGKSA-N 267.800 3.926 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C(F)(F)F)cn1 639941903 INFNYTYXFLEHEY-UHFFFAOYSA-N 287.285 3.530 30 20 CHED Cc1cc(C#N)ccc1C(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 294969659 YTYPKJFBEHIYPY-HOTGVXAUSA-N 282.387 3.517 30 20 CHED CC(C)C[C@H]1CCCN(c2nccc(C#N)c2Cl)C1 553149971 SEIGHLWAUIXBSC-GFCCVEGCSA-N 277.799 3.869 30 20 CHED C#C[C@H](NCc1ccc(OC(C)C)c(OC)c1)C(C)(C)C 809781528 UXMVASZDUTZEGV-KRWDZBQOSA-N 289.419 3.620 30 20 CHED CC(C)CCN(C(=O)Cc1ccc(C#N)cc1)C1CCCC1 388043565 MWKQLQGMOOGMIE-UHFFFAOYSA-N 298.430 3.918 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 474086267 CKDIYYFEYAIHAN-UHFFFAOYSA-N 296.345 3.557 30 20 CHED C=CCCO[C@H](C)C(=O)N(Cc1ccccc1F)C(C)C 299324337 PTTWQPKJPRFCMP-CQSZACIVSA-N 293.382 3.544 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CC[C@H](C)C1)c1ccccc1 478129288 BVRBPSVXQCUTIE-UXLLHSPISA-N 271.404 3.899 30 20 CHED C=CC1CCN(C(=O)c2cc(C)c(Cl)cc2C)CC1 475926345 OZEWVQSCMIPVCX-UHFFFAOYSA-N 277.795 3.995 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cc(C)cc(F)c2)cc1 561863384 JQQDGWCRBRDVHV-QGZVFWFLSA-N 296.345 3.691 30 20 CHED CN(CCC#N)c1ccc(CN(C2CCC2)C2CCC2)cc1 292702884 CNTWCQVYEZALDU-UHFFFAOYSA-N 297.446 3.943 30 20 CHED C=CCCC1(C(=O)N[C@H](C)Cc2ccc(C)s2)CC1 476102045 YCZMOTCKESYXPF-GFCCVEGCSA-N 277.433 3.850 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCCCCCC(C)=O 804833974 RFKJOMNMJIIQHT-UHFFFAOYSA-N 299.414 3.578 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1c(F)cccc1Cl 807980970 AMARCBKRURWEHV-GFCCVEGCSA-N 271.719 3.746 30 20 CHED C=CCCCCNC(=O)c1ccc(OC(C)(C)C)cc1 471713854 OAYAZUNQIVWTKC-UHFFFAOYSA-N 275.392 3.950 30 20 CHED CC[C@@H](C)[C@@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 397155097 NFSQUNMSSWQETI-CRAIPNDOSA-N 298.430 3.969 30 20 CHED C#Cc1ccc(CN[C@H]2COc3c(Cl)cccc32)cc1 809627653 YYBWEUFWUFDHIY-INIZCTEOSA-N 283.758 3.545 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H]1C1CCC1 567094723 XAPUGEGIQDKTNA-ZWKOTPCHSA-N 296.414 3.550 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@@H](C)c1noc(C)n1 297698176 APOWTJIUMFWFBJ-VIFPVBQESA-N 297.811 3.842 30 20 CHED CCCCCCCCC[S@@](=O)Cc1cnc(C)cn1 800800604 PLXFJXVEXHLXRY-LJQANCHMSA-N 282.453 3.784 30 20 CHED CC(C)N(C(=O)CC(C)(C)C#N)[C@@H](C)c1ccccc1 297831852 LUSINZMJJIFIES-AWEZNQCLSA-N 272.392 3.924 30 20 CHED C[C@H]1CCC[C@H]1NCc1cc(C#N)ccc1Br 800390498 CUUKZVRATWPDBL-IINYFYTJSA-N 293.208 3.599 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NC[C@H](C#N)CCC#N 569213841 GCSMEOMPDJKRTA-HOCLYGCPSA-N 289.810 3.694 30 20 CHED CCCCCCC[S@@](=O)Cc1scnc1C 290666570 OMOYPSFFJGVDDB-MRXNPFEDSA-N 259.440 3.671 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)CCCCC1 649277916 KVGMPRIWIBDRLS-QDMKHBRRSA-N 279.424 3.585 30 20 CHED CC(=NNc1ccccc1)[C@H](C)CCCCC(=O)O 814684460 USQAEBBPBUANHG-GFCCVEGCSA-N 262.353 3.756 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccnc(Cl)c1 815637289 SDKUNMPULCXDBJ-LLVKDONJSA-N 252.789 3.988 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@H](OC)CC1 812493349 GQYDPHOVXMYMKB-INIZCTEOSA-N 296.455 3.724 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(C)oc2C)cc1 566596404 CMTIUDQMLVDVSB-KRWDZBQOSA-N 296.370 3.796 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(Cl)cc1C 814810103 YKSYDNGYVHDSHD-UHFFFAOYSA-N 260.667 3.765 30 20 CHED C[C@H](C#N)CN(C)CCCSc1ccccc1Cl 489577273 LRDABXMBOXVLSF-GFCCVEGCSA-N 282.840 3.914 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccsc1 811689388 BXYLESOHWBDUQC-PLNGDYQASA-N 257.289 3.655 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc2c(c1)CCCO2 813257378 ABQQCVGOOVMICS-INIZCTEOSA-N 260.333 3.519 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C#N)s1 484876621 FRRWJVWRFITWDP-HNNXBMFYSA-N 296.395 3.906 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CS[C@@H](C(C)C)C1 488424702 DLFQFOTXADLYLM-DOTOQJQBSA-N 291.460 3.871 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc2c1OC(C)(C)C2 653766449 BKOFHANIRMGICX-AWEZNQCLSA-N 285.387 3.581 30 20 CHED N#CCC1(CNC(=O)c2ccc(C3CCCC3)cc2)CC1 577252260 YXSXPYABVWXVAO-UHFFFAOYSA-N 282.387 3.768 30 20 CHED C(=NNc1nccnc1C1CCC1)c1cccc2cc[nH]c12 814931244 OOMZLKGCOFWCKN-UHFFFAOYSA-N 291.358 3.671 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCc1sccc1C 488821189 VLKUAUDPWOIZGE-AWEZNQCLSA-N 277.433 3.946 30 20 CHED FC(F)(F)c1ccc(C=NOC/C=C\Cl)s1 811669893 VYDWFZFZCRBAPX-BHCMBYFYSA-N 269.675 3.870 30 20 CHED C=CCC(C)(C)CNC(=O)/C=C\c1ccc2ccccc2n1 814420085 LIJQDSVZCDSLJU-QXMHVHEDSA-N 294.398 3.967 30 20 CHED C=CCOCCCC(=O)N1CCC[C@@H]1CCCCC 489340056 OBFPFWMCCRIFEL-HNNXBMFYSA-N 267.413 3.541 30 20 CHED Cc1ccc(F)c([C@H](C)OC(=O)c2ncc(C#N)cc2C)c1 815998500 SFMDMJBJEJZQJJ-LBPRGKRZSA-N 298.317 3.627 30 20 CHED C=CCCCCOC(=O)c1ccnc(C(F)(F)F)c1 811012591 PUQFUNWBHQFGPO-UHFFFAOYSA-N 273.254 3.614 30 20 CHED Cc1ccc2c(CCC(=O)OC3(CC#N)CCC3)c[nH]c2c1 810859427 KBNGGHOUCQNRDE-UHFFFAOYSA-N 296.370 3.789 30 20 CHED C[C@H]1CC(=NN[C@@H](C)c2ccncc2)c2ccccc21 819817517 AECNUMRIKYDTEC-STQMWFEESA-N 265.360 3.644 30 20 CHED Fc1ccc(NN=C2CCCC2)c(Br)c1 812461645 CXMYMCSZBOPJBA-UHFFFAOYSA-N 271.133 3.930 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1cc(C#N)ncn1 572940251 KRUZNQWRJGPPOX-IRXDYDNUSA-N 292.386 3.511 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@@H](Cc3ccccc3)C2)C1 576125564 PDAJQDQMWSSBHV-SQNIBIBYSA-N 268.404 3.633 30 20 CHED C=C(C)[C@H](N[C@H]1CN(CC)C[C@H]1C)c1ccc(F)c(F)c1 480679103 VAYVQYOTFUIHSE-DQYPLSBCSA-N 294.389 3.512 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 815469783 XUAVWMHEHBMXIV-HNNXBMFYSA-N 293.357 3.679 30 20 CHED C=CCC1(CNC(=O)c2c(C)noc2C(F)F)CCCC1 654082105 GPRLTZYVTHIGHL-UHFFFAOYSA-N 298.333 3.787 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(O)cc2)c2ccccc21 726740273 ARNRFJAVGZHFBX-DHZHZOJOSA-N 277.323 3.780 30 20 CHED C[C@](C#N)(NC(=O)c1cc2ccccc2[nH]1)C1CCCCC1 576252865 OYVGXOBUFSTYQL-GOSISDBHSA-N 295.386 3.760 30 20 CHED C=C(CC)CNCc1cnc(NC(=O)OC(C)(C)C)s1 497158027 BZTRLVNKSBAANY-UHFFFAOYSA-N 297.424 3.546 30 20 CHED CCOCC(C)=NNc1ccc(Cl)c(Cl)c1 726417809 KCEREKVACCAWGX-UHFFFAOYSA-N 261.152 3.818 30 20 CHED C=C(Br)CN(C1CC1)[C@@H](C)[C@H](C)CC 729545312 SVDYUPBWXWQCCC-KOLCDFICSA-N 260.219 3.794 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cnc(Cl)cc1C 821993558 KVOHOAYBFPZXBO-UHFFFAOYSA-N 281.787 3.910 30 20 CHED C#C[C@@H](NC(=O)N(CC=C)C(C)C)c1ccc(Cl)cc1 820573734 ZRVXEDNZYSRCEY-OAHLLOKOSA-N 290.794 3.620 30 20 CHED Cc1cccc2c(C(=O)O[C@@H]3CCC[C@H](C#N)C3)coc12 821376195 RVHBBKQFBMETKN-QWHCGFSZSA-N 283.327 3.980 30 20 CHED C#CCCCCNC1CCC(OC2CCCC2)CC1 823990770 QEOIIGGZUMAZOD-UHFFFAOYSA-N 263.425 3.650 30 20 CHED c1ccc2nc(NN=C3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)cnc2c1 727258469 KZKJDOYYMWIHOG-SYQHCUMBSA-N 292.386 3.854 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C\c1cccc(O)c1O 727781866 ZBVGMHVLCCRUGY-BRYHAGSVSA-N 269.344 3.538 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CCCC1CC1 589688829 KJNUANAGLBQDGU-UHFFFAOYSA-N 284.403 3.877 30 20 CHED CC(=NOC1CCCC1)c1ccc(C(F)(F)F)cn1 905460100 ZZJBNLWNORQUDY-UHFFFAOYSA-N 272.270 3.784 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(C(=O)O)cc1 825809301 SJEIFNHMMZKCET-UHFFFAOYSA-N 268.316 3.529 30 20 CHED N#CCCCCCC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 588161449 JUYGOEGIAAKQHI-OAHLLOKOSA-N 288.366 3.616 30 20 CHED CC[C@H](O)c1ccccc1-c1cc(C#N)ccc1OCOC 904885668 PVIANKRCVXKASS-KRWDZBQOSA-N 297.354 3.651 30 20 CHED CC/C=C(/C)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 734082052 WPABXTREJPCTQS-XFVCYKSVSA-N 297.383 3.738 30 20 CHED CSC[C@@H](C)C(=O)N(O)Cc1cccc2ccccc12 901369318 ARHADOXIFIMSJJ-GFCCVEGCSA-N 289.400 3.557 30 20 CHED N#CC1(CN[C@H]2CCc3c(Cl)cccc32)CCC1 903031509 LDELSKQTBUXYCS-AWEZNQCLSA-N 260.768 3.611 30 20 CHED C=CCCC(=O)Nc1ccc(C)c(OCC(F)F)c1 588463855 ZMOCIXZZADOBQM-UHFFFAOYSA-N 269.291 3.544 30 20 CHED CNc1ccc(C)cc1CN[C@H](C)c1cccc(C#N)c1 902289913 GVNMAPZAFBXWJH-CQSZACIVSA-N 279.387 3.759 30 20 CHED CC[C@@H](NCCNc1ccccc1)c1cccc(C#N)c1 902835392 FXJNLJDLMICKJS-GOSISDBHSA-N 279.387 3.711 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2C(=O)C#CC(C)C)c1 830285885 PIDWWXAEQREXKO-QGZVFWFLSA-N 269.388 3.626 30 20 CHED N#Cc1ccccc1COC(=O)C[C@@H]1CCc2ccccc21 734629778 UPXVUURSYABQHR-HNNXBMFYSA-N 291.350 3.722 30 20 CHED N#CCCCCOC(=O)c1ccc(-c2ccccc2)[nH]1 732387844 CACMYRHRMBOOBV-UHFFFAOYSA-N 268.316 3.532 30 20 CHED C=CCCCN[C@H](C)c1nc(Br)cs1 834787215 HZRDYKNZPWTHCX-MRVPVSSYSA-N 275.215 3.522 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCCCCCC2)c1 839786390 VKCJGTQZMNUIBH-ZWKOTPCHSA-N 296.414 3.845 30 20 CHED O=C(/C=C\c1ccc(-c2ccccc2F)o1)c1cnccn1 734751199 JPTDHXLFLSXNCI-ALCCZGGFSA-N 294.285 3.772 30 20 CHED CC(C)[C@H]1CCCC(=NN[C@H](C)C(F)(F)F)C1 834998514 UXZMOTSWAUAPJR-ZJUUUORDSA-N 250.308 3.729 30 20 CHED CC[C@H](C)[C@H](C=NNc1cc(C(F)(F)F)ccn1)OC 834985596 NBIFAANLIYIPBF-ONGXEEELSA-N 289.301 3.559 30 20 CHED CC[C@H](CC#N)NCc1ccc(OC(C)C)c(Cl)c1 594006884 VGAQAVIUEJKDQL-CYBMUJFWSA-N 280.799 3.909 30 20 CHED CC(C)c1ncsc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839061663 FTVBKFDPVUNYPA-MNOVXSKESA-N 278.377 3.506 30 20 CHED C=CCC(F)(F)C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 833610150 DPZAPWFVKOASCO-GJZGRUSLSA-N 293.357 3.898 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)c1cc(C#N)ccc1F 830291882 WOWPYVODCJSMFB-UHFFFAOYSA-N 290.382 3.842 30 20 CHED C[C@H](NCCCOC(C)(C)C)c1ccc(C#N)c(F)c1 595077145 OZVRPHYVYSNHNS-LBPRGKRZSA-N 278.371 3.553 30 20 CHED CO[C@H](CSCC1(CC#N)CC1)Cc1ccccc1 596370120 QYUOGVTXNIDQDD-HNNXBMFYSA-N 275.417 3.671 30 20 CHED CC(=NNc1cc(C)cc(C)c1)[C@@H]1C[C@H]2CC[C@H]1O2 834929148 IUQXHYMXUKNAJR-OWCLPIDISA-N 258.365 3.659 30 20 CHED C/C=C/C=C/C(=O)N(Cc1ccco1)c1ccccc1C#N 914515331 PDVBQDMUPHAWRM-TTWWKFCBSA-N 292.338 3.817 30 20 CHED C[C@H]1CN(CCCC#N)CCc2ccc(Cl)cc21 593065872 IPXVQVCTGXCAHA-LBPRGKRZSA-N 262.784 3.605 30 20 CHED C=C(CNC(=O)Cc1c(C)cc(C)cc1C)c1ccccc1 672481425 QUGOFMNHIWONSQ-UHFFFAOYSA-N 293.410 3.984 30 20 CHED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1cncc(F)c1 596264201 JKBWCDGTIHETPA-LLVKDONJSA-N 298.365 3.958 30 20 CHED CC(C)c1ccc2c(c1)CN(C(=O)C1(C#N)CCCC1)CC2 597964474 YZADTROGYPIAGS-UHFFFAOYSA-N 296.414 3.779 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1ccc(C)s1 915975284 ASYPAMOSBIXHJG-UHFFFAOYSA-N 280.343 3.849 30 20 CHED C[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)CC(C)(C)C#N 598587194 OVFVJZKQYJRRCK-SWLSCSKDSA-N 294.826 3.634 30 20 CHED N#CC1(CCN2CCCC(F)(F)C2)CCCCC1 593053536 XAORHIOQGZUKOW-UHFFFAOYSA-N 256.340 3.582 30 20 CHED C[C@@H](C(=O)OCCCC#N)c1ccc(Cl)c(Cl)c1 747022404 DTFLVNCVEPFBIW-SECBINFHSA-N 286.158 3.944 30 20 CHED N#CCC1(OC(=O)c2cc(Cl)nc(C3CC3)c2)CCC1 847705112 IFUJSWYRUAEHAT-UHFFFAOYSA-N 290.750 3.606 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccccc1C(C)C 848551228 GTKSAKPJFOMUDH-WMZOPIPTSA-N 273.420 3.881 30 20 CHED Cc1c(NN=C2CCC(C(F)F)CC2)cccc1C(=O)O 844624054 TXCACGOOXYEFCO-UHFFFAOYSA-N 296.317 3.916 30 20 CHED C(=NNc1ncccn1)c1cccc(Oc2ccccc2)c1 912973359 WEVISPSWNUMQDE-UHFFFAOYSA-N 290.326 3.715 30 20 CHED C=C(C)CNC(=S)N(C)[C@H](C)c1ccccc1Cl 917584717 IUYWEDVRVGTDCE-LLVKDONJSA-N 282.840 3.783 30 20 CHED C=CCC[C@@H](OC(=O)c1cn(C(C)C)nc1C)C1CC1 847667220 VUNRKMSSWMWERE-OAHLLOKOSA-N 276.380 3.674 30 20 CHED Cc1nnsc1CON=Cc1ccc(C(C)C)cc1 844235323 HGHJHQZEZYJLNB-UHFFFAOYSA-N 275.377 3.521 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc(C#N)s2)c1 748997961 MLTNSIYSBWOMOO-CMDGGOBGSA-N 283.352 3.915 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1c1cc(C#N)cnn1 596117900 KQEGWBNHSIKNPI-SJORKVTESA-N 292.386 3.511 30 20 CHED C[C@@H](/N=C/c1ccccc1O)c1c(F)cccc1F 917558678 UUOSEXVISSXUHC-SVXRXWARSA-N 261.271 3.851 30 20 CHED CSc1ccc(NC[C@H](O)CC(C)(C)C#N)cc1Cl 598726914 XVGMAIJQHYVGFV-LLVKDONJSA-N 298.839 3.775 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc2c(c1)CCC(=O)N2 915993630 UQCNUDIYMMPMPH-AATRIKPKSA-N 297.379 3.837 30 20 CHED CCOC1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 595046482 ZZICRHRFNHWHKI-TVPLGVNVSA-N 298.430 3.873 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)C(=O)c1cccc(F)c1 840288878 HENIOXTZHMBPSP-LBPRGKRZSA-N 290.334 3.709 30 20 CHED CC1=C(C)C[C@@H](C(=O)[C@H](C#N)c2nc(C)cs2)CC1 842677993 PUMHYKISFWAROE-STQMWFEESA-N 274.389 3.764 30 20 CHED CC1(O)CCC(/N=C/c2c(O)ccc3ccccc23)CC1 749845900 UWRGEWJFMSHGNZ-XDHOZWIPSA-N 283.371 3.658 30 20 CHED CC(=NNc1ccc(Br)cc1C)[C@H]1CCOC1 741764406 IKRQAFGURDTUNB-NSHDSACASA-N 297.196 3.582 30 20 CHED C=C(Cl)CSCCc1ccc2c(c1)CCO2 742972195 ZZISEWBLYZRSFD-UHFFFAOYSA-N 254.782 3.650 30 20 CHED C#C[C@H](OC(=O)[C@@H](C)C1CC1)c1ccc(Cl)cc1F 842352986 HZQOKEVVQSDEHQ-XPTSAGLGSA-N 280.726 3.743 30 20 CHED CCO[C@@H](CC)c1noc(/C=C\c2cccc(C#N)c2)n1 596615689 KYQPENRXUUGXLZ-CKXPSTMWSA-N 283.331 3.599 30 20 CHED CCSCCS[C@@H](C#N)Cc1ccc(C)cc1 842569159 NTXIRZRIAGCXAY-CQSZACIVSA-N 265.447 3.916 30 20 CHED CC(C)CC(=NNc1ccnc(Cl)c1)c1ccccn1 853394842 AIKKHJHWGGMIQF-UHFFFAOYSA-N 288.782 3.992 30 20 CHED COc1ccc(C(C)(C)CN[C@@H](C)CC(C)(C)C#N)cc1 925350018 CWGVADLCAANHNH-AWEZNQCLSA-N 288.435 3.891 30 20 CHED CC(C)CON=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] 753713678 KJWUJCNPPJCGRU-ZDUSSCGKSA-N 290.363 3.966 30 20 CHED CCCCCCCCOCC(=O)N1CCC[C@](C)(C#N)C1 753151299 CXKOBAMAVZKOJP-QGZVFWFLSA-N 294.439 3.516 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@H]1CC[C@H](C)C1 759280439 BECVBRQTZBLCRF-STQMWFEESA-N 287.359 3.689 30 20 CHED C[C@@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccco1 859812443 PAHFHNDKDWHBIH-QWHCGFSZSA-N 283.327 3.949 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc(Cl)n1 752731182 RWXUAJZNRYYBNV-UHFFFAOYSA-N 281.787 3.945 30 20 CHED Cc1ccc(NN=C[C@@H]2CCC[C@H](C(F)(F)F)C2)nn1 853304337 JVQHXCQDXUFHGB-MNOVXSKESA-N 286.301 3.551 30 20 CHED C#CCCCCNCc1ccc(OCC=C)c(Cl)c1 758498067 YEYLBYKMIMQUTE-UHFFFAOYSA-N 277.795 3.798 30 20 CHED C=CCCCC(=O)NC1(c2cccc(OC)c2)CCC1 856206820 KQFSFMFLTXDEST-UHFFFAOYSA-N 273.376 3.547 30 20 CHED CCCCCOc1ccc(C(=O)O[C@H](C#N)CC)cc1 753413799 PPIDAXSXMMOZOA-AWEZNQCLSA-N 275.348 3.715 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1cnnc2ccccc12 751133472 OYZWOCCGRYEFFL-LBPRGKRZSA-N 288.354 3.638 30 20 CHED C=CCN(C(=O)/C=C\SCc1ccco1)C(C)(C)C 857651347 YRUMQNPVLQCDAO-FLIBITNWSA-N 279.405 3.840 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 757960492 MLGXMVNSAIIHLT-ZDUSSCGKSA-N 279.811 3.857 30 20 CHED C=C(Cl)CSCc1cn2cccc(C)c2n1 753124964 BIUBQXPFXNZRLY-UHFFFAOYSA-N 252.770 3.628 30 20 CHED C[C@@H]1CC/C(=C\C(=O)Nc2sc3c(c2C#N)CCC3)C1 753624087 RUDRXYRRDVTVEW-MXBGMFSPSA-N 286.400 3.793 30 20 CHED C=CC[C@H](C)NC(=O)/C=C(/C)c1cccc(Cl)c1 750003671 JRIGNXXTZJZNHR-MMRAYRKESA-N 263.768 3.824 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](C)CCCC(F)(F)F 935639437 LLHKKKNMITXUKU-LLVKDONJSA-N 298.308 3.718 30 20 CHED C#CCCCOc1ccc(Oc2ccccc2)nc1 762223343 VNHOZSZVDOXNOR-UHFFFAOYSA-N 253.301 3.666 30 20 CHED Cc1c(C(=O)OCC(C)(C)CC#N)cnc2ccccc12 764833590 LUSCQHJNUXVINP-UHFFFAOYSA-N 282.343 3.640 30 20 CHED CC(=NOCc1cccnc1)c1csc(C(C)C)n1 768784233 NVBMQZAPOAWCTO-UHFFFAOYSA-N 275.377 3.602 30 20 CHED Fc1ccccc1CCNN=Cc1cccc2cccnc12 764722321 NNRQALDKZOLRBL-UHFFFAOYSA-N 293.345 3.540 30 20 CHED C/C(=C\C(=O)OC1(C#N)CCC1)c1ccccc1Cl 762091399 KIVKSNPMXGXVFI-PKNBQFBNSA-N 275.735 3.733 30 20 CHED CCOc1ccccc1C=NNc1ccc(F)cc1OC 761896689 RBFFZNVHSGMXKF-UHFFFAOYSA-N 288.322 3.679 30 20 CHED N#CCCCCOC(=O)/C=C/c1ccccc1C(F)(F)F 869740608 OMNHYECZPZRASF-CMDGGOBGSA-N 297.276 3.956 30 20 CHED C#CCC(C)(C)C(=O)N(C)c1ccc(C(C)(C)C)cc1 767078510 OPDOPOCWXVSIAE-UHFFFAOYSA-N 271.404 3.996 30 20 CHED C#CCN(C(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CC1 764684091 LYCSNJUWLLMYRY-SFHVURJKSA-N 296.414 3.725 30 20 CHED CC[C@H](C#N)Oc1cccc(CNC[C@H]2C[C@H]3CC[C@H]2C3)c1 762555028 MMXRBVJMPKKSJG-DZJNRPSUSA-N 298.430 3.893 30 20 CHED CC1(C)C(=NNCC(F)(F)F)C[C@H]1c1ccccc1 769822570 VAOZBWFFUMCFMV-NSHDSACASA-N 270.298 3.708 30 20 CHED FC(F)(F)CON=Cc1ccc(Cl)c(Cl)c1 764844756 NFAQCRLIZDRYPP-UHFFFAOYSA-N 272.053 3.906 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNC2CC(C(F)F)C2)c1 768691665 DPIJQBNCXROYPS-RUXDESIVSA-N 294.345 3.501 30 20 CHED C=CCc1cc(CN2CC[C@@H](C)[C@H](C)C2)c(O)c(OC)c1 766379135 AAHSPIVTSCEWFU-ZIAGYGMSSA-N 289.419 3.607 30 20 CHED O=C(/C=C/c1ccc(F)cc1Cl)c1cc(O)ccc1O 767731417 YCTTVBSMSKRGLO-GORDUTHDSA-N 292.693 3.786 30 20 CHED C#CCOc1ccc(COC(=O)[C@@H](C)c2ccccc2)cc1 765138339 JJVFLQSVXQOQMD-HNNXBMFYSA-N 294.350 3.546 30 20 CHED CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NOC1CCCC1 774608144 PDJJTOCMPPPOHU-LLVKDONJSA-N 284.400 3.625 30 20 CHED C[C@H](CCC#N)CN1CCC(c2ccc(F)cc2)CC1 876724412 VYNMGDBYILJSCV-CQSZACIVSA-N 274.383 3.945 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2ccccc2Cl)c1 774107243 WXPVQAGQYMCGIY-HJWRWDBZSA-N 286.714 3.934 30 20 CHED C#CC[C@H](NC1Cc2ccccc2C1)c1ccccc1 773103878 CNKGMVBGQCYAIX-IBGZPJMESA-N 261.368 3.508 30 20 CHED C#CCCCCCC(=O)Nc1cc(F)c(OC)cc1C 772479014 QPYKRZPQGYBTMW-UHFFFAOYSA-N 277.339 3.665 30 20 CHED CC1CC(C#N)(c2ccccc2Br)C1 70068589 QJUYPMSBBGFYFP-UHFFFAOYSA-N 250.139 3.640 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(F)cc1OC(F)F 773005651 SNQDQNYNFWTNKW-QMMMGPOBSA-N 279.689 3.830 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc(Cl)cc(F)c1O 775677576 PFCHVPSVHMXFQL-UHFFFAOYSA-N 298.789 3.946 30 20 CHED N#CCc1cccc(NC[C@@H]2SCCc3ccccc32)n1 1116661376 AZXGCQIYNYLELM-INIZCTEOSA-N 295.411 3.590 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)c2ccncc2CC)c(O)c1 773152055 QAEDIACVUDAHPM-RQZLXBNYSA-N 298.386 3.928 30 20 CHED Clc1cccnc1NN=CC1([C@H]2CCCCO2)CCC1 872343849 NBVASUJWPVPQGF-CYBMUJFWSA-N 293.798 3.872 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2cc(F)ccc2F)c1 774117484 DBEUJXIHEFGFFU-DAXSKMNVSA-N 288.249 3.559 30 20 CHED C#CCCCCC(=O)N1CCCCc2cc(OC)ccc21 773577168 SCUJJZGXPIKMPS-UHFFFAOYSA-N 285.387 3.558 30 20 CHED C[C@H]1CCC[C@H](COC(=O)c2c(F)cc(C#N)cc2F)C1 770995362 ATBOUNFKNURSSZ-QWRGUYRKSA-N 293.313 3.820 30 20 CHED C[C@@H](NN=C1CCCNc2ccccc21)c1ccccc1 774373999 CWHMRHFBRKTPCC-CQSZACIVSA-N 279.387 3.947 30 20 CHED C=Cn1cc(C=NNc2ccc(C(C)(C)C)cc2)cn1 773078928 ICCSTLPHUWHUDQ-UHFFFAOYSA-N 268.364 3.727 30 20 CHED N#C[C@@H](OC(=O)Cc1cccc(F)c1F)C1CCCCC1 776392273 NQSCEGCPAMHHJL-CQSZACIVSA-N 293.313 3.523 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(F)ccc2Cl)s1 1125823935 LPMOOCKSKAOWCS-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc2c(cc1Cl)OCO2 887829264 KBUYTTMKVSXCSH-UHFFFAOYSA-N 281.739 3.610 30 20 CHED Cc1ccccc1CCC(=O)O[C@H](CC#N)c1ccco1 1123370249 SRRPDEBMTTWMGN-MRXNPFEDSA-N 283.327 3.719 30 20 CHED CC#CCCCC(=O)OC[C@H]1CCC2(CCCCC2)O1 786312423 YZBGTNOCKFOXAU-OAHLLOKOSA-N 278.392 3.605 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(F)cccc1N1CCCC1 888756568 OTQSAFCATQLYIT-UHFFFAOYSA-N 290.382 3.967 30 20 CHED CC[C@H](C#N)OC(=O)c1ccccc1CCC(F)(F)F 781197507 TURMQCQGTUNTCO-LLVKDONJSA-N 285.265 3.640 30 20 CHED CCCCO[C@H]1CC(=NN[C@H]2CCOC(C)(C)C2)C1(C)C 780241382 PCQGDCIUSSQRCZ-ZFWWWQNUSA-N 296.455 3.505 30 20 CHED N#CCn1c(-c2nc(CCCCF)no2)cc2ccccc21 897211777 IRKGPLPOAZQDMZ-UHFFFAOYSA-N 298.321 3.507 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1cnc2ccccc2n1 783839746 QWJVFHIFBNXMSM-QWHCGFSZSA-N 268.364 3.854 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc2c1CCC2 783177085 KAJIXWXUNLAUEB-UHFFFAOYSA-N 271.360 3.662 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](c2cccc(C)c2)C1 784515607 GKPPORQHQBLJMH-GOSISDBHSA-N 283.415 3.895 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc2ccccc2n1 781132138 JFBIIXWJRJOYNT-UHFFFAOYSA-N 280.306 3.605 30 20 CHED c1ccc2c(=NN=C3CCC34CCCC4)cc[nH]c2c1 788713624 CSWAFXJYARFAPD-UHFFFAOYSA-N 265.360 3.779 30 20 CHED Cc1ccc(C(=O)OCCC(C)(C)C#N)c(F)c1Cl 789073438 ZHYTTYCUSVVPDR-UHFFFAOYSA-N 283.730 3.884 30 20 CHED CC(C)(C)CCNN=Cc1coc(-c2ccccc2)n1 782902543 DCCIIRHJKLENPO-UHFFFAOYSA-N 271.364 3.701 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(Cl)cn2)no1 896956941 PLUIFKMVCCEDEM-UHFFFAOYSA-N 263.728 3.639 30 20 CHED Brc1cscc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 794922702 VEFNLWAVPIWBOZ-HOTUBEGUSA-N 299.237 3.623 30 20 CHED Cc1c(N=Cc2cccc(O)c2O)cccc1-c1ncco1 793653857 IWHOPUDICIGYDE-UHFFFAOYSA-N 294.310 3.812 30 20 CHED COc1cc(/C=C/C(=O)c2cc(C)c(C)o2)ccc1C#N 799895652 QXGSSIQXPPPEFD-FNORWQNLSA-N 281.311 3.673 30 20 CHED CCCCCCCCCN1CCN(CC(C)(C)O)[C@@H](C)C1 792297098 HTULYDQTLDCLBQ-KRWDZBQOSA-N 298.515 3.514 30 20 CHED CCC(CC)[C@H](NC(=O)[C@@H](C#N)CC)c1ccccc1 593489419 UBYATOJTZDZQEM-ZBFHGGJFSA-N 272.392 3.830 30 20 CHED CC[C@@H](C)NN=Cc1ccc2cc(OC)ccc2c1 790183385 RJVYXMSORQXYOP-GFCCVEGCSA-N 256.349 3.570 30 20 CHED CCc1cc(Nc2cc(C)ncc2C#N)ccc1F 709663222 MRRRESUSDRGENU-UHFFFAOYSA-N 255.296 3.707 30 20 CHED Cc1[nH]nc(NCc2ccc(-c3cccs3)cc2)c1C#N 1202707096 KCPKOBSASHNALS-UHFFFAOYSA-N 294.383 3.930 30 20 CHED O=C1/C(=C/c2ccsc2Cl)Oc2cc(O)ccc21 790213760 BKMJTSPHEOXUOD-WZUFQYTHSA-N 278.716 3.723 30 20 CHED Fc1ccc(C(C[C@H]2CCOC2)=NOC2CCC2)cc1 793056068 RQQMIZLSKWKZBQ-GFCCVEGCSA-N 277.339 3.526 30 20 CHED CCOc1ccc(C=NOCC[C@@H](O)c2ccccc2)cc1 795199356 DUIVAWWYWDZCRG-GOSISDBHSA-N 299.370 3.560 30 20 CHED C#C[C@H](NC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C)C(C)C 798551908 ICAZUUWMDYUXCX-SZMVWBNQSA-N 298.430 3.540 30 20 CHED COc1ccc(CCNN=C2CCC3(CC2)CC3)cc1 792636409 XRVLICHQLQAVEA-UHFFFAOYSA-N 272.392 3.538 30 20 CHED C=CCC1(C(=O)Nc2ccc(N3CCCC3)cc2)CCC1 790249336 LVGWOXCQIBBXPG-UHFFFAOYSA-N 284.403 3.972 30 20 CHED Clc1ccccc1[C@H]1CCCC1=NNc1cncnc1 794975974 BCHUEBIMBNDPFS-CYBMUJFWSA-N 286.766 3.866 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc2n[nH]cc2c1 794908638 LSAJBHZFCPVLGP-UHFFFAOYSA-N 286.285 3.677 30 20 CHED N#Cc1cnccc1/C=C/c1ccc([N+](=O)[O-])c(Cl)c1 794712080 IGDPVNGSTDVMJC-HNQUOIGGSA-N 285.690 3.685 30 20 CHED COCCCC(=NOCC(C)C)c1ccc(F)cc1 799483251 VYVOUMQUUZUPRG-UHFFFAOYSA-N 267.344 3.629 30 20 CHED COC(=O)c1csc(C(C)=NNc2cccc(C)c2)c1 794855088 NGXSLVYKMOOFKM-UHFFFAOYSA-N 288.372 3.679 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1cc(C)cc(C)c1 798376497 VFQCZGUJRRLSCE-CYBMUJFWSA-N 262.422 3.945 30 20 CHED CC(C)C[C@H](C)C=NNc1cnc2ccccc2n1 799112803 XBIDXJHHHKNGEJ-LBPRGKRZSA-N 256.353 3.710 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCSc1ccccc1 695791703 PEGBLGQLJQZDAV-ZDUSSCGKSA-N 262.422 3.697 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 695866434 YVIIATOPFHYAIZ-JFIYKMOQSA-N 299.462 3.567 30 20 CHED C#CCCCN(C)Cc1ccc(C(F)(F)F)cc1 766896448 PAFBJKXNERHFKK-UHFFFAOYSA-N 255.283 3.551 30 20 CHED CS[C@@H]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 767194353 CQUJJLUYMRCFKH-QWHCGFSZSA-N 289.448 3.947 30 20 CHED CC(C)[C@@H]1C[C@H]1CNc1nc(C(C)(C)C)ccc1C#N 1163305946 PKMRAAGTPSSCGF-KBPBESRZSA-N 271.408 3.955 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCC3)COc2ccccc21 1318779656 QHUOVFDWNBHFMT-LFIBNONCSA-N 276.335 3.834 30 20 CHED CCN(CCC1CC1)c1nc(C(C)(C)C)ccc1C#N 1642541354 GITIISLYIOUPME-UHFFFAOYSA-N 271.408 3.877 30 20 CHED CC1CC(C#N)(C(=O)NCC2(C)CCC(C)(C)CC2)C1 1642882325 MFRITPIYZBTLAJ-UHFFFAOYSA-N 276.424 3.649 30 20 CHED CC[C@@](C)(C=NNc1ccc(C)c(Cl)c1)OC 1324601658 MQXFCIYZUVFBTD-ZDUSSCGKSA-N 254.761 3.861 30 20 CHED CCC/C(C)=C\c1nnc(-c2cccc(C#N)c2)o1 1327304541 JRRPIAUOCXYBSI-FLIBITNWSA-N 253.305 3.812 30 20 CHED C=CC[C@@H]1CCCN([C@@H](C(=O)O)c2ccccc2Cl)C1 1327038470 JRNGYEMGSUFLEF-IUODEOHRSA-N 293.794 3.754 30 20 CHED N#CCOc1ccc(N[C@@H]2CCC[C@@H]2CCCF)cc1 1321269326 TUUSJCDBTQQQPI-CZUORRHYSA-N 276.355 3.919 30 20 CHED CCCC[C@@H](CC)CCCN(C)c1cc(C#N)cnn1 1187091319 PYOMDHKPDQSDNY-CQSZACIVSA-N 274.412 3.781 30 20 CHED CC(C)(CC#N)CN[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1182261756 NKQMJRSSVNTYFD-CVEARBPZSA-N 286.419 3.762 30 20 CHED Cc1ccccc1Cc1nnc(CC2(C#N)CCCCC2)o1 1258423247 ZEXSZENEBDBOHO-UHFFFAOYSA-N 295.386 3.985 30 20 CHED C[C@H]1C[C@@H](CCN=c2cc[nH]cc2C#N)CC(C)(C)C1 1186315813 KEDSJFBDDBGAOF-UONOGXRCSA-N 271.408 3.640 30 20 CHED C=CCOc1ccc(OCc2cn(C)nc2C(F)F)cc1 1338179981 UKKNJVYHQHHWIM-UHFFFAOYSA-N 294.301 3.502 30 20 CHED N#Cc1cccc2c1CCN2Cc1nsc2ccccc12 1195315270 QXYOWDDBBPNFNM-UHFFFAOYSA-N 291.379 3.731 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)CC#Cc1ccccc1)CC2 1261503425 ZJUORZIMOJUWIK-LJQANCHMSA-N 289.378 3.540 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)CCCCc2ccccc2)C1 1342731434 XDSNOEXGNYEBJB-JKSUJKDBSA-N 271.360 3.635 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)CCc1cccc(F)c1 1349906919 NHGIZMGHICWPNQ-XJKSGUPXSA-N 290.382 3.545 30 20 CHED C=C(C)CCC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 1353609857 WCVNOQYMPXAQHV-NWDGAFQWSA-N 277.330 3.828 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)CC1CCC(C)(C)CC1 1517045540 DMPPUHVMYKKLON-CQSZACIVSA-N 287.407 3.686 30 20 CHED Cc1nc(N[C@@H](C)[C@H]2CCC[C@@H](C)C2)ccc1C#N 1458434736 XWUROTZGJYMISB-DYEKYZERSA-N 257.381 3.888 30 20 CHED C[C@H](NC(=O)CCF)c1ccc(-c2cccc(C#N)c2)cc1 1296261661 BJWUCZCJJSOVRF-ZDUSSCGKSA-N 296.345 3.762 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 1466354977 QGFIFURHEFBYRL-IAGOWNOFSA-N 298.430 3.654 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccsc2C#N)[C@H](C)C1 1532098968 ZNOIPGNJMSWJLI-CKYFFXLPSA-N 263.362 3.601 30 20 CHED C[C@H]1CC[C@@H](CSc2ccc(Cl)cc2C#N)O1 1613583944 BSKOERJROJXJCM-CABZTGNLSA-N 267.781 3.871 30 20 CHED C=CCCCN(C)C1CCN(Cc2ccccc2)CC1 117883723 TUHOCSJHUSTWLW-UHFFFAOYSA-N 272.436 3.549 30 20 CHED C[C@@H](Sc1ccnc(C#N)c1)c1ccc(F)cc1 1559086784 NRBXJGVXWSTYCY-SNVBAGLBSA-N 258.321 3.946 30 20 CHED CC[C@@H](Nc1cc(C#N)nc(C)n1)c1cccc(Cl)c1 1559122675 PZOMHZPBNGWLOT-CQSZACIVSA-N 286.766 3.873 30 20 CHED COc1cccc(CN(CC(C)C)c2ccnc(C#N)c2)c1 1639349378 CVLLNPAZQVJDHP-UHFFFAOYSA-N 295.386 3.624 30 20 CHED CC(C)(C)c1cnc(SCc2ccc(C#N)cc2)[nH]1 1641340035 KDDSKBZPAIGSLR-UHFFFAOYSA-N 271.389 3.871 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1c1cccc(C#N)n1 1652255827 ZGLHEYOMEDPZDU-YOEHRIQHSA-N 277.371 3.726 30 20 CHED C=Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1 1584674057 CGDVFWRRNNRANT-UHFFFAOYSA-N 266.275 3.593 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 1584674460 KSNRMMNRJGPFQW-ZIAGYGMSSA-N 298.292 3.579 30 20 CHED CC[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)s1 1655211824 KEEPMUABMFGDQK-NSHDSACASA-N 277.780 3.653 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC[C@@H]1C(=O)O 1588771511 WNWJQCJJGIUVFS-WCVJEAGWSA-N 279.424 3.602 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(=O)O)cc2C)CCCC1 1588764876 JYOGCGYZJZDDJB-UHFFFAOYSA-N 287.359 3.768 30 20 CHED C=C(Br)CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 231822832 AMULZLPJQZEBMM-NTZNESFSSA-N 272.230 3.699 30 20 CHED CC[C@H]1CCCCCN1C(=O)Nc1cc(F)cc(C#N)c1 1672407241 VHBGZJGIDGOUPQ-HNNXBMFYSA-N 289.354 3.884 30 20 CHED O=C(O)c1ccccc1NN=C1CC[C@H]1Cc1ccccc1 1776031941 FZZHKXBUYQLSPB-AWEZNQCLSA-N 294.354 3.805 30 20 CHED CCc1ccc(C=NNc2ccc(F)c(C(=O)O)c2)cc1 1776061698 JZGWWXOFIPOUFV-UHFFFAOYSA-N 286.306 3.532 30 20 CHED C=CCc1ccccc1CN1CC2(CCC2)CC[C@@H]1C(=O)O 1776188090 RLGWAIMJNZJICS-QGZVFWFLSA-N 299.414 3.634 30 20 CHED Cc1c(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)cccc1C(=O)O 1776086079 ARZHSJGYRVEWES-IINYFYTJSA-N 298.342 3.856 30 20 CHED N#Cc1cccc(CNCCCn2ccc3ccccc32)c1 11041780 RHDPIJSVZOUXFK-UHFFFAOYSA-N 289.382 3.693 30 20 CHED CC[C@@H]1CCCCN1Cc1ccc(C#N)cc1Cl 162863549 JTOFCYRBMUBWKQ-CQSZACIVSA-N 262.784 3.976 30 20 CHED N#Cc1cc(COc2ccc(F)cc2F)ccc1F 158226236 OCJRBVJQYRWRQG-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C=CCC[C@H](NCc1ccncc1)c1ccccc1 158837478 YXQNEAPWHYULIV-KRWDZBQOSA-N 252.361 3.879 30 20 CHED COc1cccc(SCC(=O)c2cccc(C#N)c2)c1 160774425 XTAQPPYYLUQLSY-UHFFFAOYSA-N 283.352 3.542 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(F)c(Cl)c2)C1 160983950 PUHVJWCYYHGNID-MEBBXXQBSA-N 294.757 3.681 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1noc(Cc2ccccc2)n1 165379011 YEWJJAWCEPODEX-ZNMIVQPWSA-N 299.418 3.912 30 20 CHED C=CCCC(=O)N1CCCCC[C@H]1c1ccc(C)o1 154243407 FCELGHMKCBDWBX-AWEZNQCLSA-N 261.365 3.998 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1c1ccccc1Cl 156505971 FYYCJAQVYHUTAK-CQSZACIVSA-N 278.783 3.763 30 20 CHED CCn1c(C(=O)O[C@@H](C#N)C(C)(C)C)cc2ccccc21 154592834 IDTPQAMQNQPISX-HNNXBMFYSA-N 284.359 3.756 30 20 CHED CSc1nc(C2CC2)cc(C(F)(F)F)c1C#N 4245040 PUTKUNGNWIEJGH-UHFFFAOYSA-N 258.268 3.571 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2C#N)C1 1119425916 PWJCYBYQPFIBEY-ZJUUUORDSA-N 262.740 3.586 30 20 CHED CCCCCCCCCC(=O)NC[C@@]1(C)CCCNC1 128955136 MQXHZTVURDXAKV-KRWDZBQOSA-N 282.472 3.633 30 20 CHED N#CCOc1ccc(NCc2ccccc2Cl)cc1 20126377 LXKOLGPYAVWUHX-UHFFFAOYSA-N 272.735 3.854 30 20 CHED Cc1cc(C)c(C#N)c(N(C)[C@H]2CCC[C@H](C)C2)n1 25568754 WMNSCLVKPHYIBY-FZMZJTMJSA-N 257.381 3.585 30 20 CHED Cc1ccc(Oc2ccc(C#N)cc2)c([N+](=O)[O-])c1 41065144 LPYIBQZWYHYEDS-UHFFFAOYSA-N 254.245 3.567 30 20 CHED N#Cc1c(Cl)cccc1NC[C@@H]1Cc2ccccc2O1 47848176 RREPMJXIOZJBJU-LBPRGKRZSA-N 284.746 3.627 30 20 CHED Cc1cccc(NC(=O)c2ccc(C#N)cc2)c1Cl 73345158 UILNSQOQZUWFFQ-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C[C@H](NCC1(C(F)(F)F)CCC1)c1ccc(C#N)cc1 507216962 ZOZZETYSZRIVMW-NSHDSACASA-N 282.309 3.941 30 20 CHED CC[C@@](C)(C#N)NC(=O)C[C@H](C)CCC=C(C)C 514938334 GZVCPDHDLKQPAX-HIFRSBDPSA-N 250.386 3.567 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@@H]1COc2ccccc21 521015369 CFJUZNYDHQQEKD-GFCCVEGCSA-N 284.746 3.800 30 20 CHED COc1cc(F)ccc1NCc1ccc(CC#N)cc1 342442793 MDUKTJZPKJTKJW-UHFFFAOYSA-N 270.307 3.512 30 20 CHED CCCCCCCCCC(=O)N(C)C[C@H]1CCC[C@H]1O 689275638 MIOPVOGZDPTKGY-HZPDHXFCSA-N 283.456 3.747 30 20 CHED C=CCC(C)(C)CNCc1cc([N+](=O)[O-])ccc1Cl 389027148 IFBUMWGADTUZRK-UHFFFAOYSA-N 282.771 3.940 30 20 CHED C=CC[C@H](CC)NC[C@H](O)c1cccc(C(F)(F)F)c1 393845822 DSFAZFDJIODXBZ-KBPBESRZSA-N 287.325 3.683 30 20 CHED CCCCCCCCCNCc1c(C)cnn1C 394074823 YGCDRYRHYGUXBS-UHFFFAOYSA-N 251.418 3.569 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 398170663 LFJQMMKDNZEPNY-CHWSQXEVSA-N 262.353 3.990 30 20 CHED CCCCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 6558876 RLWXNGGOXGMQKV-UHFFFAOYSA-N 294.354 3.989 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c1 54023900 QFZXVFFZXLJNAE-KRWDZBQOSA-N 291.354 3.831 30 20 CHED Cc1nc(CN(C)c2ccc(Cl)cc2C#N)cs1 52859753 BEJZYQWHILKDKI-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C[C@H]1C[C@@H](C)CN(C(C)(C)CNCC(C)(C)CCC#N)C1 174299066 PAXKZTXTPYQJOI-IYBDPMFKSA-N 293.499 3.662 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc(F)c(F)c(F)c1 119189313 FCBXJZFJCGZFHZ-UHFFFAOYSA-N 284.325 3.866 30 20 CHED CN(Cc1cc(C#N)cs1)[C@@H]1CCc2ccccc21 179908967 NSBBUYYIVBOEQB-MRXNPFEDSA-N 268.385 3.739 30 20 CHED CCc1nc(CSc2ccccc2C#N)cs1 173708730 AOOWLYAQZFVKNO-UHFFFAOYSA-N 260.387 3.869 30 20 CHED Cc1cccc(NC(=O)c2cc(C#N)cs2)c1Cl 177130231 FGRGCLGSGCFZJK-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CC1CCN(C(=O)[C@@H](SC)c2ccccc2)CC1 172404523 HTWAKHAUTQUPTG-HNNXBMFYSA-N 275.417 3.515 30 20 CHED C=CCSCCNC(=O)C(C)(C)c1ccccc1Cl 171535200 IXRZGAHLIORSDA-UHFFFAOYSA-N 297.851 3.653 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC1CCOCC1 409447419 QAHLZBTZKRNWED-RBUKOAKNSA-N 298.430 3.575 30 20 CHED COc1ccccc1C[C@@H](C)N(C)Cc1ccccc1C#N 173004408 WKFBQACIMRJBEF-OAHLLOKOSA-N 294.398 3.630 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@H]2[C@@H](C1)C2(C)C 178540271 CWXNHSYRHBQBGF-IYBDPMFKSA-N 268.404 3.576 30 20 CHED CC(C)(C=NNc1ccc(C(C)(C)C)nn1)CCC#N 1341144930 NNSQXOLRTFNXFD-UHFFFAOYSA-N 273.384 3.502 30 20 CHED Cn1ccc2ccc(Nc3ccc([N+](=O)[O-])cc3C#N)cc21 302680124 RMMLPEUJSYLREZ-UHFFFAOYSA-N 292.298 3.702 30 20 CHED Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1F 21587989 KRLRXXRORLZOBV-UHFFFAOYSA-N 288.347 3.936 30 20 CHED C=C(CC)C(=O)Nc1cnn(-c2ccccc2C)c1CC 1349683358 PXXZIMMVTLPCOW-UHFFFAOYSA-N 283.375 3.648 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@@H]1C1CCCC1 112012338 ZZFYFELKVBMABG-OAHLLOKOSA-N 258.340 3.856 30 20 CHED CC1(C)CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 112733582 CSBMWYBFQCMATE-UHFFFAOYSA-N 291.782 3.866 30 20 CHED C=C(C)CN1CCC(N[C@H](C)C2CCCCC2)CC1 177314087 ZVALLNUNDMSCBV-OAHLLOKOSA-N 264.457 3.585 30 20 CHED C[C@@H](CCc1ccc(O)cc1)NCc1ccc(C#N)c(F)c1 404840449 MJPSZDLFDPVULR-ZDUSSCGKSA-N 298.361 3.514 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1Nc1c(F)cc(C#N)cc1F 302459219 OTAKHBCGDCZTIX-LSDHHAIUSA-N 294.345 3.842 30 20 CHED C[C@H](NCCSCc1ccccc1C#N)c1ccncc1 179385629 PGMFLFCCKGOACE-AWEZNQCLSA-N 297.427 3.537 30 20 CHED COc1ccc([C@H]2CCN(c3ccc(C#N)cc3)C2)cc1 301130878 RKGDDABHSCQVPS-INIZCTEOSA-N 278.355 3.561 30 20 CHED C[C@]1(CNc2ccc(Cl)cc2C#N)CCCS1 126024011 UQBUJBJMJPUGLU-CYBMUJFWSA-N 266.797 3.909 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC1(C)C 122519788 GJWCVSNKGTVUHA-NWDGAFQWSA-N 288.416 3.923 30 20 CHED C=C(C)COCCNCc1ccc(Oc2ccccc2)o1 181005522 PBBMYKBCKIHKOG-UHFFFAOYSA-N 287.359 3.754 30 20 CHED Cc1cc(N[C@H]2CCC[C@H](C#N)C2)cnc1Br 185896523 WAHJMMRFYHPRDX-QWRGUYRKSA-N 294.196 3.647 30 20 CHED CCCCN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](C)CC 122838388 STXKIUYRSVXGGH-NSHDSACASA-N 294.345 3.877 30 20 CHED C=C(Cl)CN1CCC[C@@H]1CC(=O)c1cccs1 127331121 WFRBNFPAGNVWIT-LLVKDONJSA-N 269.797 3.538 30 20 CHED C=C[C@H](CC)OC(=O)Cc1c[nH]c2c(C)cccc12 181249363 VMFYFSVOXLEMCJ-CYBMUJFWSA-N 257.333 3.527 30 20 CHED CCCCC[C@@](C)(CC)C(=O)Nc1ccn(CCC#N)n1 187097671 VEEFOCSBVHITSA-MRXNPFEDSA-N 290.411 3.732 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)cc1C 36313503 RVKHKZFBVWEOHL-QPJJXVBHSA-N 297.310 3.813 30 20 CHED CCOc1ccc(OCC)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 185736152 VSQZZKLARHZRMB-ZIAGYGMSSA-N 288.391 3.978 30 20 CHED N#CCCN[C@@H](c1ccc(Br)cc1)C1CCC1 411453886 KCDDLKPBJHSBIG-CQSZACIVSA-N 293.208 3.794 30 20 CHED CCN(Cc1ccccc1Cl)C[C@@H](C#N)CCC#N 75733752 BDQRLOSNMLYWQW-CYBMUJFWSA-N 275.783 3.605 30 20 CHED N#Cc1ccc(OCC[C@H]2CCCO2)c2ccccc12 419054603 MBYYMXDRJBDFRX-CQSZACIVSA-N 267.328 3.659 30 20 CHED Cc1nc(Oc2ccc3ncccc3c2)ccc1C#N 488092256 DWQOFBIYPFWTET-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F 189492369 PQUCQOGHHYXWIE-HZPDHXFCSA-N 292.423 3.851 30 20 CHED CC[C@H](CC#N)NCc1csc(-c2ccsc2)n1 184081654 DFOOENDTFOXQGE-LLVKDONJSA-N 277.418 3.653 30 20 CHED N#CCOc1cccc(NC2CCC(C(F)F)CC2)c1 282338764 OQVINEFSBIKCPM-UHFFFAOYSA-N 280.318 3.825 30 20 CHED C[C@H](CCNc1ncc(C#N)cc1F)c1ccccc1 413110145 RRAUDIQNDOPRGM-GFCCVEGCSA-N 269.323 3.698 30 20 CHED N#Cc1ccc(CN(Cc2cc(C#N)cs2)C2CC2)cc1 180030855 XDPABAPIXJRKDJ-UHFFFAOYSA-N 293.395 3.656 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCCC(F)(F)C1 410009786 INQZZLZOPHJHTR-NEPJUHHUSA-N 259.340 3.673 30 20 CHED N#C[C@@H](C(=O)c1scnc1C1CCCC1)c1ccccn1 185251814 ZAKICAGDEVQTIX-GFCCVEGCSA-N 297.383 3.686 30 20 CHED N#Cc1cc(F)ccc1CSc1ncc2ccccn12 77565484 PAUQVBLWOXDUBU-UHFFFAOYSA-N 283.331 3.637 30 20 CHED CC[C@H](CC#N)NC[C@@H](C)c1cccc(Cl)c1 188487003 NPTVDVGQJYTIPN-BXUZGUMPSA-N 250.773 3.725 30 20 CHED C[C@]1(c2ccccc2)CC[C@@H](NCCCCC#N)C1 187950609 SJFHXVKSOQRLPC-SJORKVTESA-N 256.393 3.780 30 20 CHED C=CCC[C@H](CCC)NC[C@@H](CO)c1ccc(F)cc1 414289964 NBKPYDJSDMAPRJ-RDJZCZTQSA-N 279.399 3.626 30 20 CHED Cc1ccc(CCCN(CCC#N)Cc2ccco2)cc1 181942969 VAVQLBVBKNOZKR-UHFFFAOYSA-N 282.387 3.937 30 20 CHED C=CCSCCN[C@H](CC)c1cccc(F)c1 219184013 QGXCGWDIGPHOET-CQSZACIVSA-N 253.386 3.786 30 20 CHED CC(C)(C)c1noc([C@H](C#N)CCc2ccccc2)n1 417262033 QPPPLZKTKOEGGW-ZDUSSCGKSA-N 269.348 3.607 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C#N)cc2)cnn1C(C)(C)C 188872031 LQXNVGQQAGRLRN-MDZDMXLPSA-N 293.370 3.714 30 20 CHED C[C@H]1CCCC[C@@H]1OCCSc1cc(C#N)ccn1 77906450 NUDGGYBQEDBMMH-JSGCOSHPSA-N 276.405 3.641 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(Br)cc1C 452778533 QPDORDCGBXRZAI-UHFFFAOYSA-N 296.208 3.700 30 20 CHED C=CCSCCN[C@H]1CCCc2nc(CC)sc21 180459858 IIBYEDLYHHWXPC-NSHDSACASA-N 282.478 3.592 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC12CC2 419534409 BNQRPVBUCIYTLF-HNNXBMFYSA-N 276.424 3.564 30 20 CHED CC(C)(C)c1noc(-c2cccc(SCC#N)c2)n1 79942465 JVLRUMQMZLUAAY-UHFFFAOYSA-N 273.361 3.650 30 20 CHED CCc1sc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1C 45217679 PAJMTKOCPHKMSN-LBPRGKRZSA-N 298.411 3.982 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCCc2nn(C)cc21 414296275 GLBMHEKJUBYFJE-SJLPKXTDSA-N 295.430 3.575 30 20 CHED C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@@H](C)S1 613425599 CQTWSEQGUHTLGP-VXGBXAGGSA-N 289.448 3.581 30 20 CHED C=C(C)CCSc1nnc(N2CCCCC2)n1C1CC1 505693895 JBDDYDKGSMFKLX-UHFFFAOYSA-N 292.452 3.662 30 20 CHED N#CC1(NC(=O)c2cccc(-c3ccoc3)c2)CCCCC1 89678083 CUVYHXXVFGYRCC-UHFFFAOYSA-N 294.354 3.903 30 20 CHED COc1cc(CSCCCC#N)ccc1Cl 419579746 HVUODDACKNBBAP-UHFFFAOYSA-N 255.770 3.886 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN(C)[C@@H](C)CC#N 191065486 URTSHAHDKOZTKG-NSHDSACASA-N 270.298 3.748 30 20 CHED C[C@@H]1CC[C@H](C(O)=Nc2ccc3c(c2)C(O)=NC3)C1 329232262 LEWJZHSTXWGIOM-ZJUUUORDSA-N 258.321 3.529 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1ccc(C#N)c(F)c1 192204502 OIMMKCFYPLLHTN-HZPDHXFCSA-N 292.423 3.851 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1ccc(F)c(F)c1 132545022 ICWSFHSVICHVEE-UHFFFAOYSA-N 299.386 3.623 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)CCCc1ccccc1 508840821 NFWOULRSXRJYSX-UHFFFAOYSA-N 298.434 3.657 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 191596944 GCKNHAUCYPJVIH-KKUMJFAQSA-N 299.418 3.912 30 20 CHED CC1(C)CC[C@H](C(O)=Nc2ccc3ccoc3c2)O1 329967240 VJTHRNLRZIOTHU-GFCCVEGCSA-N 259.305 3.978 30 20 CHED N#CCN(C(=O)CCCc1ccccc1)c1ccccc1 194660070 WGQOUKXFPUZJKP-UHFFFAOYSA-N 278.355 3.566 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccnc1 43785849 DSCWFVZRGQFXNH-OAHLLOKOSA-N 295.386 3.540 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)c2cccc(C#N)c2)c(C)c1 518712059 RNQJFRJPKFZXAY-HNNXBMFYSA-N 292.382 3.536 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cccc(C3CC3)n2)CCC1=O 329287653 PHRQAXVNRLWEAZ-JQWIXIFHSA-N 272.348 3.552 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccc(F)cc1Cl 424666330 NLMFVIIRUZDMNU-UHFFFAOYSA-N 283.774 3.740 30 20 CHED CC(F)(F)CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 428796704 MTUHTLAZIJWDBH-CYBMUJFWSA-N 294.345 3.710 30 20 CHED C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)CCS1 192177937 YDNRVOKUGJFNJY-AWEZNQCLSA-N 288.460 3.815 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 424712593 SHPXJBQWFKJNIU-ZIAGYGMSSA-N 259.393 3.897 30 20 CHED CC[C@@H](C)Oc1cc(CN(C)[C@@H](C)CC#N)ccc1OC 132268109 KLPSMZAONNQDGF-UONOGXRCSA-N 290.407 3.606 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 515251589 DDXPMZAHVMNROA-KBXCAEBGSA-N 293.370 3.727 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccc(C2CCCCC2)cc1 195526011 VNZOAWSAIUOZSO-INIZCTEOSA-N 270.376 3.766 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 84710378 HMZXGWOBXGHEIE-OCCSQVGLSA-N 289.375 3.597 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Cl)c2ncccc12 510787159 LGXKWTZIGMTJTR-NSHDSACASA-N 288.778 3.973 30 20 CHED N#CCCCC(=O)N1CCCc2c1cccc2C(F)(F)F 425644867 NLKILQKCLKWRCK-UHFFFAOYSA-N 296.292 3.678 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC2(CCC2)C1 336287268 XNVZVYAIKIJWNF-UHFFFAOYSA-N 296.414 3.530 30 20 CHED CC(C)c1occc1/C(O)=N/C[C@H](O)CC(C)(C)C 331090485 HLWAUCNEBSOYAE-LLVKDONJSA-N 267.369 3.505 30 20 CHED N#Cc1c(Cl)cccc1N1CCO[C@@H](c2ccccc2)C1 513112585 BUOHJUVNSSOKRN-QGZVFWFLSA-N 298.773 3.790 30 20 CHED C=CCn1c(C)nnc1SC[C@@H]1CCCC(F)(F)C1 337746063 GHVXMLQJDZKOGB-LLVKDONJSA-N 287.379 3.690 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@@H](CC)CSC)c1ccccc1 91149559 ZPURAEXKHVXJEG-HOCLYGCPSA-N 291.460 3.946 30 20 CHED N#C[C@H]1CC[C@@H](N2Cc3ccccc3C3(CCC3)C2)C1 336131098 VLJSNOCTFOTOCR-GOEBONIOSA-N 266.388 3.616 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCC(F)(F)F 427746355 FUKZPZSWZPPATP-CMPLNLGQSA-N 265.319 3.826 30 20 CHED CCCc1occc1/C(O)=N/[C@@H](CC)C1CCOCC1 330407589 XDRDKYUXVXIXQM-AWEZNQCLSA-N 279.380 3.742 30 20 CHED N#Cc1csc(CN2CCC[C@H](Nc3ccccc3)C2)c1 93704455 HFHFCPLRJQPBDT-INIZCTEOSA-N 297.427 3.696 30 20 CHED C[C@H]1C[C@H](CCNc2ncc(C#N)cc2Cl)C[C@@H](C)O1 338485147 QKVAXRHEPYECRJ-ZSBIGDGJSA-N 293.798 3.612 30 20 CHED C=CCn1cccc1C(=O)N1CCC(C)(CC(C)C)CC1 516898891 MBZDXSIDGGFNPT-UHFFFAOYSA-N 288.435 3.963 30 20 CHED CC1(C)CN(c2ccc(Cl)cc2)CCN1CCCC#N 147790827 QATVHEMWPKIPKF-UHFFFAOYSA-N 291.826 3.544 30 20 CHED CC[C@H](CC(=O)Nc1cccc(C#N)c1C)C(C)C 431846688 TULIGPAMAYKXNS-CYBMUJFWSA-N 258.365 3.878 30 20 CHED C=C(C)COc1cc(CNC(C)(C)CC)ccc1OC 236858423 HRWAXJVJMXTWIX-UHFFFAOYSA-N 277.408 3.928 30 20 CHED C[C@@H]1CCC[C@H](Nc2nc(Cl)c(C#N)s2)[C@@H]1C 235374459 CGENHWCUDFXRNM-HLTSFMKQSA-N 269.801 3.905 30 20 CHED N#CC1(C(=O)Oc2ccc(Cl)cc2)CCCCC1 98111081 VCVUSMXONJFWFQ-UHFFFAOYSA-N 263.724 3.719 30 20 CHED C[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 245564200 QHQWFEJMIISNQN-LSDHHAIUSA-N 272.392 3.599 30 20 CHED C=CCCc1noc([C@H](C)Cc2ccccc2C)n1 528205579 GWRCPZYFVPHSAI-CYBMUJFWSA-N 256.349 3.843 30 20 CHED CC(C)[C@H](C)N(C)Cc1ccc(C#N)cc1OC(F)F 437410317 LMBPOQYZUJUJFQ-NSHDSACASA-N 282.334 3.636 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(Br)s1 349115893 XWQVGDILZNLMHE-OWOJBTEDSA-N 291.173 3.948 30 20 CHED C[C@H]1CCC[C@H]1CNCc1cccc(OCCCC#N)c1 341481293 HTGPFUWOKWOPLS-RDJZCZTQSA-N 286.419 3.895 30 20 CHED CCN(C(=O)[C@@H]1C[C@]1(C)CC)[C@H](C)c1ccc(C#N)cc1 246403152 LLEVBAWHSXJCJU-SKDZVZGDSA-N 284.403 3.904 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(Br)s1 602506983 MHNKZMPJJSHEHJ-VIFPVBQESA-N 287.226 3.540 30 20 CHED C[C@@H](CCC#N)CN[C@H](c1ccccc1)c1ccccn1 602499167 NRLRITPPRKTLRU-MAUKXSAKSA-N 279.387 3.700 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@]1(C#N)C[C@H]1C)CCC2 521542666 XXGLTVIXLXVTRQ-OMWUSAIZSA-N 296.414 3.853 30 20 CHED Oc1cccc2c1CCC2=NNc1nc2ccccc2s1 254401649 WSKFWXOMLHYARF-UHFFFAOYSA-N 295.367 3.764 30 20 CHED COc1ccc(OC(C)C)c(NC[C@H](C)CCC#N)c1 602493484 BIMULAMQGJQEPV-CYBMUJFWSA-N 276.380 3.834 30 20 CHED Cc1cc(Br)ccc1CN[C@H]1CC[C@@H](C#N)C1 349820305 FMCNYFVYSGFACK-RISCZKNCSA-N 293.208 3.539 30 20 CHED Cc1ccccc1C=NOCc1ccc(F)cc1C#N 255291396 XJRUAMJZSMOSCK-UHFFFAOYSA-N 268.291 3.557 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(OC)c2)o1 255868904 NQLDCIMNOUDJDD-CLFYSBASSA-N 256.301 3.747 30 20 CHED N#Cc1ccccc1/C=C\c1nc(-c2ccc(F)cc2)no1 609473867 BRQRVXMIMYWNRS-YFHOEESVSA-N 291.285 3.918 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)c1cccc(Cl)c1 607779827 XKJTYGSVZKGRNE-LBPRGKRZSA-N 265.784 3.868 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccc(C#N)s1 255119775 DIZANLHGMNUEPL-SREVYHEPSA-N 283.352 3.833 30 20 CHED C=CCOc1ccccc1C(=O)NCc1ccccc1CC 525384145 RGZKVOJRTNXOMB-UHFFFAOYSA-N 295.382 3.744 30 20 CHED C=C(Br)CNC/C(C)=C/c1ccccc1 255004963 NGUTWJRFDFPEMT-DHZHZOJOSA-N 266.182 3.588 30 20 CHED N#Cc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c1 354945339 WZWAYSCWKDVNJG-SFHVURJKSA-N 290.366 3.829 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C1=CCCCC1 354826281 UYYNRPRRTZVUTQ-UHFFFAOYSA-N 262.397 3.665 30 20 CHED C=CCCC1(C(=O)Nc2cccc(N3CCCC3)c2)CC1 354715612 RHQNRTIYVDPARA-UHFFFAOYSA-N 284.403 3.972 30 20 CHED COc1ccccc1[C@H]1CCCN1C[C@@H](C)CCC#N 602458906 QSDMIWOABUUAAI-GOEBONIOSA-N 272.392 3.772 30 20 CHED CCCN(CC(F)F)C(=O)c1ccc(C(C)(C)C#N)cc1 355453077 FAFWXYUNCLHLMQ-UHFFFAOYSA-N 294.345 3.605 30 20 CHED CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2)C1(CC)CC 537313058 VVNTZJLMSIWDNZ-SJORKVTESA-N 286.419 3.632 30 20 CHED CC(C)c1ccc([C@H](C)NC(=O)[C@]2(C#N)C[C@H]2C)cc1 448579640 DPVZGOZRBXNEDT-IGCXYCKISA-N 270.376 3.537 30 20 CHED N#C[C@]1(C(=O)Nc2ccc3occc3c2)CC12CCCC2 530004848 WIKVNQPFGRHKBL-KRWDZBQOSA-N 280.327 3.845 30 20 CHED COCCN(Cc1ccc(C#N)cc1)C[C@H](C)C(C)(C)C 619843794 GMEUQQCEGPDFQC-HNNXBMFYSA-N 288.435 3.689 30 20 CHED C=CC(C)(C)CNC(=O)c1cccc(Cl)c1Cl 452780425 XPHIAJGUZUKJCP-UHFFFAOYSA-N 272.175 3.935 30 20 CHED C=C(C)[C@@H](CC(=O)NC[C@@H](C)c1cccc(C)c1)OCC 533707922 MEISSVLLIQRLIQ-NVXWUHKLSA-N 289.419 3.586 30 20 CHED CCC[C@@](C)(CC)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 619450136 LBIHHUVPLCZGNY-SJLPKXTDSA-N 284.403 3.878 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H]2CCC[C@H]21 358804584 JPDJSFUGRYIGPE-DZGCQCFKSA-N 286.423 3.501 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(-n2ccnc2C)cc1 351758858 KGQORDNHPQQHOB-CQSZACIVSA-N 269.392 3.798 30 20 CHED Cc1cccnc1CN(CC(C)C)c1ccc(C#N)cc1 538962566 BIBFWCLPLLBHGC-UHFFFAOYSA-N 279.387 3.924 30 20 CHED C=CCC[C@H](NCCSCC(F)(F)F)C1CC1 537964024 CORLSWQGELCWRK-NSHDSACASA-N 267.360 3.616 30 20 CHED C[C@@H](c1cc(F)ccc1F)N1CCC[C@@](C)(C#N)C1 612159641 XDRDJRUVUKGPQM-NHYWBVRUSA-N 264.319 3.651 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(F)ccc(C)c2F)C1 617781416 LUCJJJABZNREIV-LBPRGKRZSA-N 279.330 3.702 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@]1(CCC)COC 447829406 SMJMGQLZWSGOFD-WBVHZDCISA-N 296.455 3.722 30 20 CHED C#CCCCCNC(=O)N(C)Cc1ccc2ccccc2c1 268198288 ALABILJIOLCEEW-UHFFFAOYSA-N 294.398 3.785 30 20 CHED N#C[C@]1(F)CCN(Cc2cc(-c3ccccc3)cs2)C1 615651272 HGDXBVCPMGVWOB-MRXNPFEDSA-N 286.375 3.853 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc2cc(OC)ccc2[nH]1 613913451 QZHYGYBGIWKXKZ-UHFFFAOYSA-N 272.348 3.717 30 20 CHED C[C@H](Nc1cccc(C[S@](C)=O)c1)c1cccc(C#N)c1 611483033 PQYTVSAOYGVCPX-ZSEKCTLFSA-N 298.411 3.610 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)[C@@]3(C#N)C[C@@H]3C)C2)cc1 451709668 KRWOFFWCXKXUEO-POZUXBRTSA-N 296.414 3.505 30 20 CHED C[C@H]1CN(c2cnccc2C#N)CC[C@H]1c1ccccc1 537657338 NGKQABRXWPBUGI-WMLDXEAASA-N 277.371 3.583 30 20 CHED N#Cc1ccc(CNCc2ccc(C(F)F)cc2)c(F)c1 360836924 ZVLPPWHQFXFESG-UHFFFAOYSA-N 290.288 3.925 30 20 CHED N#CCc1cccc(NC(=O)c2cccn2C2CCCC2)c1 456755196 RMRFYLWRWRCMJO-UHFFFAOYSA-N 293.370 3.922 30 20 CHED Cc1cccc2c(N3C[C@H]4CCC[C@H]4C3)c(C#N)cnc12 610685399 GFBKJANYSXOBSQ-OKILXGFUSA-N 277.371 3.651 30 20 CHED C[C@H](NC(=O)c1ccc(Cl)cc1)c1cccc(C#N)c1 610360852 IIQXAHOBBKPMEA-NSHDSACASA-N 284.746 3.703 30 20 CHED C=CCC1(C(=O)NCc2ccc3nc[nH]c3c2)CCCCC1 615795886 GNWFIYBIGPUFGW-UHFFFAOYSA-N 297.402 3.706 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(OC)c(C)cc1C 455369706 RDOZFOWSEIIALH-UHFFFAOYSA-N 276.380 3.646 30 20 CHED CCn1ccnc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 453369586 VDQDTXCUEZQQDM-DYVFJYSZSA-N 294.402 3.503 30 20 CHED CCCCCCCCOCc1nc(Cc2ccon2)no1 274022125 VIQPQIOVUNALDB-UHFFFAOYSA-N 293.367 3.526 30 20 CHED COc1cccc2c1OCC[C@@H]2Nc1cccc(F)c1C#N 368860180 UTCCIRTWLSVPDL-HNNXBMFYSA-N 298.317 3.642 30 20 CHED Cc1cc(Cl)c(C(=O)N(CCC#N)C(C)C)cc1C 540968065 QYKMXJKDIWLDFH-UHFFFAOYSA-N 278.783 3.721 30 20 CHED N#CCCCC(=O)Nc1ccc(Oc2ccccc2)nc1 360164225 UEULQPHIKCSVPV-UHFFFAOYSA-N 281.315 3.506 30 20 CHED C=CCCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 451019334 UPCNAXKAJNSIJH-OAHLLOKOSA-N 255.365 3.584 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]1F 458861518 HCEGQWDIQMYXLZ-LSDHHAIUSA-N 282.403 3.655 30 20 CHED COc1cccc(CC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 619673778 NJCFPCPSNXHGFC-ZWKOTPCHSA-N 298.430 3.642 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C 456317748 FLEMFJHSQIZRJE-HOTGVXAUSA-N 263.425 3.894 30 20 CHED Cc1cc(F)c(CNCCCCC#N)c(Cl)c1 459413570 UJYDRWDYURDCKP-UHFFFAOYSA-N 254.736 3.571 30 20 CHED CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)CCO1 271963176 RQOVQBPEFVHCRE-NUTKFTJISA-N 290.382 3.552 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C2=CCC(C)(C)CC2)C1 455730958 TUKUFLGTNMUSST-DYVFJYSZSA-N 274.408 3.712 30 20 CHED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 455609962 DNMZIFZTQMLVAQ-WMZOPIPTSA-N 299.418 3.524 30 20 CHED CC#CCCCC(=O)NCc1ccnc(-c2ccccc2)c1 629440520 KYKORXWXBBZXCF-UHFFFAOYSA-N 292.382 3.558 30 20 CHED C=CCC[C@H](C)NCCc1nc2ccccc2n1C(F)F 544575289 CNUQYOURPMCVGI-LBPRGKRZSA-N 293.361 3.918 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CCC1CCCC1 450165018 XAWKIPVKWMHPCX-BBWFWOEESA-N 291.435 3.539 30 20 CHED C=CCC1(c2nc(C3CCOCC3)no2)CCCCC1 453033496 YXSHKOQDAUYXFN-UHFFFAOYSA-N 276.380 3.742 30 20 CHED CCS[C@H](C(=O)OCc1ccc(CC#N)cc1)C(C)C 271914952 YSWYNTWYUZDTSM-HNNXBMFYSA-N 291.416 3.574 30 20 CHED C[C@H]1C[C@@H](CCNc2cc(Cl)ccc2C#N)CCO1 541351473 YPWRQZMXAAVBAI-RYUDHWBXSA-N 278.783 3.829 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1ccon1 546042769 XYTABRFOTRDPEJ-ZDUSSCGKSA-N 291.395 3.514 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1[C@H](C)CCC 455319696 GUNRMJOEYDJICL-KGLIPLIRSA-N 252.402 3.563 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 544612252 ZYUCRVGBMFVCDA-YWPYICTPSA-N 285.391 3.813 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H]2CCCC[C@H]21)c1ccccc1 365772718 PKDCJTIPOGLHNW-USXIJHARSA-N 269.388 3.747 30 20 CHED C=CCN(C(=O)c1cnc(-c2ccco2)s1)C(C)(C)C 622944193 ITLKEGNELUQYOS-UHFFFAOYSA-N 290.388 3.830 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@@H]2CCCC[C@@H]12 543893483 VOGNKIIKCBLWLU-UHOFOFEASA-N 272.367 3.708 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1ccc(C(C)C)cc1 464754250 FECCGAGZGGSVJU-CYBMUJFWSA-N 260.381 3.526 30 20 CHED C=CCn1cc(-c2ccc(OC[C@@H]3CCCCO3)cc2)cn1 629705542 LPGXWSZPJCEUPF-SFHVURJKSA-N 298.386 3.684 30 20 CHED C=CCCC(C)(C)NC(=O)COC/C=C\c1ccccc1 620857663 DSTZAWRGPUNSRK-XFXZXTDPSA-N 287.403 3.577 30 20 CHED C[C@H]1Oc2ccccc2[C@@H]1Nc1ccc(Cl)c(C#N)n1 377175129 KSHDIJFIZRVEMQ-RFAUZJTJSA-N 285.734 3.541 30 20 CHED CCC[C@@]1(C)CCCN(c2nccc(C)c2C#N)C1 544069070 LUMQQORPMCQWIS-INIZCTEOSA-N 257.381 3.668 30 20 CHED C=CCCN(C)c1ncnc2sc3c(c12)CCCC3 466371186 HQRFADLHXIMFMJ-UHFFFAOYSA-N 273.405 3.582 30 20 CHED CC#CCCCC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F 466233124 FXMUXBCEAYRTLX-HNNXBMFYSA-N 297.320 3.774 30 20 CHED N#CCCCN1CCC(F)(c2cccc(Cl)c2)CC1 376390120 ZWFILXBBVCDSAH-UHFFFAOYSA-N 280.774 3.904 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCc1ncoc1-c1ccccc1 373349885 XPHYAROGNHWNEH-CYBMUJFWSA-N 284.359 3.560 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@H](C)C1 289369736 BHBKDMNAPRYYMA-NEPJUHHUSA-N 264.319 3.596 30 20 CHED N#Cc1nnc2ccccc2c1N[C@@H]1CC[C@H]2CCC[C@H]2C1 462900738 PNYUYSFQJAPTAS-HZSPNIEDSA-N 292.386 3.882 30 20 CHED CC(C)(CCN[C@@H]1CCc2ccc(C#N)cc21)C1CC1 559912224 ZXEUAQGSXAKUQZ-QGZVFWFLSA-N 268.404 3.961 30 20 CHED N#Cc1ccc(N2CCC(=Cc3cccc(F)c3)CC2)cn1 464744436 JTHYZPQYFLWDIE-UHFFFAOYSA-N 293.345 3.776 30 20 CHED C[C@H](C#N)CSc1ccccc1NCCOC1CCC1 288662799 GTJRRLIWHWKWLT-CYBMUJFWSA-N 290.432 3.919 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)c(OC)cc1Cl 288998909 ULFMZBDNTNNZRE-SNVBAGLBSA-N 282.771 3.743 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC(F)F)c(F)c1 466405367 ONTYILDJTLJNMR-LLVKDONJSA-N 273.298 3.871 30 20 CHED CCN(Cc1ccccc1)C(=O)[C@H](C)c1cccc(C#N)c1 461739537 FOBDAWYCEHOFPW-OAHLLOKOSA-N 292.382 3.710 30 20 CHED Cc1cc(-c2noc(-c3cccc(C#N)c3)n2)cc(C)c1O 389105355 FWENAVYVPYVJML-UHFFFAOYSA-N 291.310 3.598 30 20 CHED C=CCN(Cc1ccc(Cl)cn1)Cc1cccs1 558404271 PPSJJUTVSRPLPI-UHFFFAOYSA-N 278.808 3.985 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)NCC(C)(C)CCC#N 554472756 HLPPUTSTLWBGLE-MRXNPFEDSA-N 299.418 3.612 30 20 CHED C[C@H](c1cccc(C#N)c1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 550306185 TXZAHDWCXIJUCL-FMUWMXLXSA-N 266.388 3.597 30 20 CHED C=CCC[C@@H](C)Nc1cc(OC)cc(-n2cccn2)c1 475342916 MPJXDYLSJJQLIS-CYBMUJFWSA-N 271.364 3.648 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)c1cnc(C)nc1C 637930401 XHZDKUCXNHANCH-HNNXBMFYSA-N 281.403 3.843 30 20 CHED Cc1ccc(C#N)c(SCCSC(C)(C)C)n1 804667553 IBQZDXFZVDWDSU-UHFFFAOYSA-N 266.435 3.886 30 20 CHED C#CC[C@H](NC(=O)c1sccc1Cl)c1ccccc1 802886466 LITDNGATMXHPSK-ZDUSSCGKSA-N 289.787 3.896 30 20 CHED C#CCOc1cccc(NC(=O)N(CC)C(CC)CC)c1 808830153 RAYIPCVLYZAYKL-UHFFFAOYSA-N 288.391 3.741 30 20 CHED C#CCC1(c2nc([C@@](C)(CC)OC)no2)CCCCC1 290426233 JZIRBFACSCDEGQ-OAHLLOKOSA-N 276.380 3.566 30 20 CHED C=C(C)CN(CC)C(=O)NCc1c(C)c2ccccc2n1C 472232800 VDJBHPXNTZXHND-UHFFFAOYSA-N 299.418 3.594 30 20 CHED C=CCC1(C(=O)N(C)Cc2c(F)cccc2F)CCC1 294198222 SAEDRPNRUJKGLU-UHFFFAOYSA-N 279.330 3.670 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2nncs2)cc1 298674533 PRWFADXYOKURBF-OAHLLOKOSA-N 287.388 3.746 30 20 CHED CCCN(CC#N)C/C(C)=C\c1ccccc1OC(F)F 569536756 RRJPTIFZGHHJNY-QBFSEMIESA-N 294.345 3.927 30 20 CHED Cc1cc(OC(=O)c2cccc(C#N)c2)c(C)c(C)c1C#N 809034289 YDMPHKAQSLXGST-UHFFFAOYSA-N 290.322 3.574 30 20 CHED C=CCCCCOc1ccc2c(c1)CCCC(=O)N2 642252036 LPJOBFOLGJFNIM-UHFFFAOYSA-N 259.349 3.697 30 20 CHED C[C@@H]1C[C@@H](NCC(C)(C)CCC#N)c2c(O)ccc(F)c21 806176578 MZYQMQVXEFLWQF-DGCLKSJQSA-N 290.382 3.999 30 20 CHED C=CCCCCCCNC(=O)[C@@H](OC)c1ccccc1 805217807 KGFGMGPVFALWHO-INIZCTEOSA-N 275.392 3.627 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccccc2OC2CCCC2)C1 472140925 VTBDFPNQTHGYGY-GDBMZVCRSA-N 284.403 3.790 30 20 CHED Cc1ccncc1CCCN[C@H](CCC#N)c1ccccc1 290509340 WXLUHYPYEUOWGN-LJQANCHMSA-N 293.414 3.957 30 20 CHED CCCC[C@@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 800382381 DRIYMYPXQMLYPC-VXGBXAGGSA-N 269.348 3.565 30 20 CHED CCSc1cccc(/C=C/C(=O)c2ccnc(O)c2)c1 806554564 AYCCMMCEKHNXLB-VOTSOKGWSA-N 285.368 3.795 30 20 CHED CCCCCCCC(=O)Nc1nn(CCCOC)cc1C 295945344 QLONRBVUYUWVEG-UHFFFAOYSA-N 295.427 3.527 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 292651513 DVRCDIALYBSJNG-OAHLLOKOSA-N 289.394 3.819 30 20 CHED N#Cc1ccc(CN2CC3(CCC3)[C@H]2c2ccccc2)o1 294033838 VUKVZUCKODVAPR-QGZVFWFLSA-N 278.355 3.878 30 20 CHED C=CCOCCCOc1ccc(F)c(Br)c1 475883363 OBYNNJZDXLITKZ-UHFFFAOYSA-N 289.144 3.560 30 20 CHED C=CCCc1noc([C@H](C)Cc2ccc(OCC)cc2)n1 643121261 ZMQVJNMWFDJNME-CYBMUJFWSA-N 286.375 3.933 30 20 CHED C#Cc1ccc(CNCc2ccc(C)cc2OCC)cc1 809625920 CMNVQXDLJBECBB-UHFFFAOYSA-N 279.383 3.665 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCC[C@@H](F)C1 565002575 FCPHIHUUAHWWJQ-OLZOCXBDSA-N 293.407 3.975 30 20 CHED CCC(=NN=c1cc[nH]cc1)C12CC3CC(CC(C3)C1)C2 811647588 SDHVKLNUQCIBFS-UHFFFAOYSA-N 283.419 3.898 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(C)nc2C)c1 814870764 RUUMWIMGEDJOTG-UHFFFAOYSA-N 287.338 3.682 30 20 CHED C#CCON=CCCc1c(Cl)cccc1Cl 812236421 OUVZCQONUXIVNN-UHFFFAOYSA-N 256.132 3.562 30 20 CHED N#CC1(CSc2nnc(Cc3cccs3)o2)CCC1 569307886 JXFRLLKHUWJZQH-UHFFFAOYSA-N 291.401 3.508 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2OC(=O)c1cccc(C#N)n1 810650347 QZGJBCRGVULPMO-LRDDRELGSA-N 292.338 3.667 30 20 CHED COC(=O)C(C)(C)CC=NNc1nc2ccccc2cc1C 814896349 ULHRTSVHETXWSB-UHFFFAOYSA-N 299.374 3.530 30 20 CHED N#Cc1ccc(CNN=C2CCCC23CCCC3)cc1 814882817 PLRZPOFNTGBCST-UHFFFAOYSA-N 267.376 3.748 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1coc2cc(F)ccc12 489937455 UNXJEBILPBNLON-UHFFFAOYSA-N 289.350 3.833 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCCN1CCCCCC1=O 657822263 YOEIAQMRMWQPML-DLBZAZTESA-N 292.467 3.504 30 20 CHED CCCC(=NNc1cc(C#N)cc(Cl)n1)c1cccnc1 814891599 NZECJDZSGHXGEJ-UHFFFAOYSA-N 299.765 3.618 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1 480270197 MXGQNZVQTRXBNJ-HNNXBMFYSA-N 290.366 3.692 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc2c(n1)CCC(C)(C)C2 488407331 CCEPTHGLNYOZCM-QGZVFWFLSA-N 287.407 3.532 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1c1cccc(C)c1 489066852 FKOVNAKASMBNSJ-KRWDZBQOSA-N 294.398 3.960 30 20 CHED C=CC[C@H](C(=O)OCC(=O)C(C)(C)CC)c1ccccc1 811189772 FPRLQBOSYWLDFF-HNNXBMFYSA-N 288.387 3.895 30 20 CHED c1ccc([C@@H]2CCC(=NNCCc3ccncc3)C2)cc1 814924979 KHAQTBFVBKYMLM-QGZVFWFLSA-N 279.387 3.537 30 20 CHED C=CCCCC(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 482860211 AFFQRTGQFAQGBW-KBPBESRZSA-N 275.367 3.934 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@@H](C)CC)cc1 571578106 FIJKDVJGTXFSJX-BBRMVZONSA-N 272.392 3.708 30 20 CHED C#CC[C@H](NC(=O)c1ccc(C(C)C)cn1)c1ccccc1 810750576 MIOXSJQDZFQAIV-KRWDZBQOSA-N 292.382 3.699 30 20 CHED COc1ccc(NN=Cc2cccc(O)c2Cl)cc1 814885397 YUJNEOJRHIYGHF-UHFFFAOYSA-N 276.723 3.500 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(OC)c(O)c2)cc1C 811697464 DJSKVLBWFOIJKL-QPJJXVBHSA-N 298.338 3.614 30 20 CHED Cc1csc(NC(=O)N[C@]2(C)CC=CCC2)c1C#N 578022907 ICNVNTMHLCPTFE-CQSZACIVSA-N 275.377 3.549 30 20 CHED C#Cc1ccccc1CC(=O)N1CCCC[C@@H]1[C@@H](C)CC 810481745 VFDIMQZLBWMSRH-MAUKXSAKSA-N 283.415 3.638 30 20 CHED COCc1ccccc1/C=C(/C)C=NOCC(F)F 814226475 CAJWGDCPEVTKLV-QBQHGUDFSA-N 269.291 3.504 30 20 CHED C=CCCCCN1CCCC[C@@H]1c1nccn1CC 578835375 OKJPWXRCCSXCKG-OAHLLOKOSA-N 261.413 3.786 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2cc(F)ccc2F)c1 729641044 ASDWKAJTGWATAQ-VXLYETTFSA-N 291.297 3.688 30 20 CHED CCCCCC[C@H](C)CC(=O)N(CC)C[C@@H](C)C#N 727673916 HQAOMCBBIFTOOK-GJZGRUSLSA-N 266.429 3.991 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC[C@@H]1CCCF 811667804 DIJUIVHRPFMGRB-LSDHHAIUSA-N 292.398 3.949 30 20 CHED C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C 810218716 KWYIDMJBBSPPIT-BLLLJJGKSA-N 256.393 3.817 30 20 CHED COc1ccccc1/C(C)=C/C(=O)Nc1ccc(C#N)cc1 727293502 QDXMVFFAVUXNSD-ACCUITESSA-N 292.338 3.609 30 20 CHED C=CC(C)(C)C(=O)OCc1cc2cc(F)ccc2[nH]1 822329936 BOTAKEQNNIOKPZ-UHFFFAOYSA-N 261.296 3.562 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NC[C@@H]1CCC=CO1 825979404 RHBWJCPKSDIRLH-LBPRGKRZSA-N 299.761 3.864 30 20 CHED C#CCCOC(=O)CCOc1ccccc1-c1ccccc1 727042983 YVCUNCBTWASWMV-UHFFFAOYSA-N 294.350 3.689 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@@H]2c2cccnc2)CCCCC1 655397856 HNXJBYZUMNLGAC-CVEARBPZSA-N 284.403 3.580 30 20 CHED CC(C)n1cc([C@@H](C)NC2CCC(C)(C#N)CC2)cn1 579915001 RQTUQELAZWMLMG-IUDNXUCKSA-N 274.412 3.587 30 20 CHED C=C(C)CCNc1cccc(Cl)c1OCCOC 571153601 LWAAIQXXRQWMDH-UHFFFAOYSA-N 269.772 3.743 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1csc(CC)n1 495027412 SENQHFLMJXMDHZ-NWDGAFQWSA-N 293.436 3.517 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ncc(C)s2)C1 660810594 NXKYNWAPNAFQHI-QWHCGFSZSA-N 293.436 3.510 30 20 CHED CC[C@H](C)CN(C)Cc1cc(C#N)ccc1Br 492722210 MRLVCKBUPRUHDK-NSHDSACASA-N 295.224 3.799 30 20 CHED Cc1ccc(C(=O)OCC[C@H]2CC2(Cl)Cl)cc1C#N 820611701 XJDKWSGOUXMNFE-LBPRGKRZSA-N 298.169 3.607 30 20 CHED C#CCN(C(=O)c1cccc2cccnc12)C1CCCCC1 490605613 RYBRLUHUDWYLBU-UHFFFAOYSA-N 292.382 3.643 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)/C(F)=C\C2CCCCC2)C1 828292280 BNRMSFNPQBUXPS-DKGMDFAASA-N 278.371 3.572 30 20 CHED C[C@]1(COc2cc(F)cc(C#N)c2)CC1(Cl)Cl 829602453 VMUVWDGETQITPK-LLVKDONJSA-N 274.122 3.660 30 20 CHED CC(C)Cc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)s1 824745872 HZHOFOOTSPZSKR-ZDUSSCGKSA-N 290.432 3.712 30 20 CHED C=C1CCN(Cc2cccc(Cl)c2OCC)CC1 494935603 YFRNOZFZHYDLNO-UHFFFAOYSA-N 265.784 3.891 30 20 CHED C=CCC[C@@H](CCC)NCc1cccc(C(=O)O)c1 666583058 IXBUKFPOWJSRNZ-OAHLLOKOSA-N 261.365 3.609 30 20 CHED CCN(CC(C)(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1 589789488 LLBHVZMXTYUPAN-CYBMUJFWSA-N 287.407 3.697 30 20 CHED N#CC1(CCCCOc2ccc3oc(O)nc3c2)CCC1 902750905 KYTQVMHSWJHOJZ-UHFFFAOYSA-N 286.331 3.776 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2cccc(C#N)c2)c1C 493927440 QUSJXUFSZBNBMM-UHFFFAOYSA-N 293.370 3.839 30 20 CHED Cc1cc(C)c(C[S@](=O)CCC(C)(C)C#N)c(C)c1 581582861 DMBDSSKFQLCSNW-LJQANCHMSA-N 277.433 3.800 30 20 CHED C#CCOc1ccc(C(C)=NNc2cccc(C)c2)cc1 733200980 NDTTXLGYQDXISK-UHFFFAOYSA-N 278.355 3.843 30 20 CHED CC[C@@H](Nc1ncc2c(c1C#N)CCC2)c1c(C)noc1C 581007947 MEKFGYHAITUMKD-OAHLLOKOSA-N 296.374 3.610 30 20 CHED C=CCCNC(=O)N(CCC(C)C)C1CCCC1 665945090 DFJNJEHYKGNWAR-UHFFFAOYSA-N 252.402 3.563 30 20 CHED CC[C@@H](C)CCC(=O)N[C@H](C)c1cccc(C#N)c1 586790971 MOCQBVBOHPAOKU-CHWSQXEVSA-N 258.365 3.562 30 20 CHED C=CC[C@@H](NC(=O)CCc1cccs1)c1ccncc1 734233913 BPKBFAAAKCNLQH-OAHLLOKOSA-N 286.400 3.509 30 20 CHED N#Cc1ccc(SCc2ccc(F)cc2C(=O)O)cc1 739132851 VFSPNGKJEQMOIP-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C#CCC[C@H](C)OC(=O)c1scc(C)c1Cl 839039876 SGGYEOQSIRNNJE-VIFPVBQESA-N 256.754 3.669 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 735535663 KAVIRJUFHMCQQK-QWRGUYRKSA-N 266.287 3.578 30 20 CHED C=C[C@H](OC(=O)c1cccc(Cn2ccnc2)c1)C(C)(C)C 835392014 UQNPBTHUEWWTJM-INIZCTEOSA-N 298.386 3.689 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)[C@H]1C[C@H]2CC[C@H]1O2 834960332 MLHGXNAUEZRKMQ-BZUAXINKSA-N 272.392 3.967 30 20 CHED C#CCCCCNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 830036006 UYPVRWLORFBKQP-ZWKOTPCHSA-N 283.415 3.565 30 20 CHED C#CCN(C(=O)c1cc2cc(Cl)ccc2s1)C1CC1 832222274 NGQVGNKVZRXYFX-UHFFFAOYSA-N 289.787 3.793 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1ncc(C)s1)C2=O 834417630 VLFPETBQMLMGHD-WUXMJOGZSA-N 285.368 3.727 30 20 CHED CN(CCCC=NOC1CCCC1)C(=O)OC(C)(C)C 834967985 BWWRAFBYSXQYBA-UHFFFAOYSA-N 284.400 3.579 30 20 CHED C=CCCO[C@@H](C)C(=O)N(O)Cc1cccc2ccccc12 901370371 YJBLWAOEOSAEIY-AWEZNQCLSA-N 299.370 3.539 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1cn(C(C)C)nn1 901527113 VVMUYMWYIUHAET-KTKRTIGZSA-N 299.374 3.542 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cnn(C)c2Cl)cs1 834434629 OZPIFRMCCOALIZ-PLNGDYQASA-N 295.795 3.550 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccc(C)o1)C1CC1 675150590 PTOYGHIGLQZDFD-UHFFFAOYSA-N 273.376 3.847 30 20 CHED C=CCCCCN[C@@H](c1ccccc1)C(C)(C)CO 582646974 DWCXMVGDONPSTN-INIZCTEOSA-N 261.409 3.692 30 20 CHED CCN(CC(C)(C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1 589789489 LLBHVZMXTYUPAN-ZDUSSCGKSA-N 287.407 3.697 30 20 CHED CCc1ccccc1NN=Cc1ccc(N(C)C)cc1 915051935 ZYQDTUMQMDFKLL-UHFFFAOYSA-N 267.376 3.761 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccccc1O 916346696 PLSHUEKRUYSRGY-UHFFFAOYSA-N 254.333 3.845 30 20 CHED Cc1cccc2[nH]c(CNCC(C)(C)CC#N)cc12 594946862 SZUOPBMCNJGXBM-UHFFFAOYSA-N 255.365 3.506 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 599059176 OLNVCGWXNSTAJH-YUELXQCFSA-N 290.357 3.836 30 20 CHED CCc1cc(O)ccc1NC(=O)CC1(C#N)CCCCC1 597560106 VWRVPAYXWUUWJB-UHFFFAOYSA-N 286.375 3.757 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)n1 741766419 LHHHNGRSECGPSI-RHYQMDGZSA-N 290.798 3.662 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc(C)s1 919787646 AUQGIBHTTNNDEB-LBPRGKRZSA-N 266.410 3.725 30 20 CHED C=C(CNC(=O)c1ccc(C)cc1C)c1ccccc1 672480687 DKALCVLEGILYSE-UHFFFAOYSA-N 265.356 3.747 30 20 CHED CC[C@H](C)c1ccc([C@H](C)NC2CCN(CC#N)CC2)cc1 599026752 FLWSRFMBCGWJEH-HOTGVXAUSA-N 299.462 3.839 30 20 CHED C[C@@H](OC(=O)c1cc2ccccc2[nH]1)c1ccc(C#N)cc1 748679548 KKPXGDRYIASAGS-GFCCVEGCSA-N 290.322 3.958 30 20 CHED Oc1cccc2c1CCC2=NNc1nccc2sccc12 915980308 SXONTLYVUJXBKH-UHFFFAOYSA-N 295.367 3.764 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)O[C@@H]2CCC[C@H](C)C2)c1 742511293 LUASUDPKZOPYBY-QGTPRVQTSA-N 299.414 3.980 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(C(C)(C)C)ccc1OC 844487133 SYAUMZDHGHAUNS-NSHDSACASA-N 292.379 3.620 30 20 CHED Cc1cc(Br)ccc1CN(C1CC1)[C@@H](C)C#N 595710531 SLAZXXYTVYRYPV-NSHDSACASA-N 293.208 3.634 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C#N)C(C)C)c1cccc(Cl)c1 599412425 PDFLFZHSMSPIME-CABCVRRESA-N 292.810 3.888 30 20 CHED Cc1cc(C#N)ccc1NC1CCN(c2ccccc2)CC1 846748210 KEADYOQQTPCEID-UHFFFAOYSA-N 291.398 3.948 30 20 CHED CCCCN(C(=O)[C@H](C#N)CC)[C@H](C)c1ccc(C)o1 593433621 HPWZTVUALYIELG-KGLIPLIRSA-N 276.380 3.828 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCC(C)(N)CC1 841724309 SCSAJMAGBIMTCS-OAHLLOKOSA-N 297.487 3.506 30 20 CHED N#CC1(CC(=O)NCCCCc2ccccc2)CCCCC1 596694262 LAARPYZFNZZBSH-UHFFFAOYSA-N 298.430 3.990 30 20 CHED COc1cccc(/C=N\[C@H](C)CCCc2cccnc2)c1O 840712387 YCYZQKWLQJCQAH-KELUXRKGSA-N 298.386 3.626 30 20 CHED CCCCCC[C@H](C)NN=Cc1cccc(OCC#N)c1 743451072 YZOZIAZIURTGLG-HNNXBMFYSA-N 287.407 3.871 30 20 CHED COc1cccc(O)c1C=Nc1ccc2ncsc2c1 915978714 IRBVKTOAYXNIOQ-UHFFFAOYSA-N 284.340 3.761 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)n1 741766422 LHHHNGRSECGPSI-WYUUTHIRSA-N 290.798 3.662 30 20 CHED CC(=NN(C)C[C@@H](C)O)c1ccc(C2CCCCC2)cc1 841655344 XCURGLZHBOAPRB-CQSZACIVSA-N 288.435 3.771 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(C)cc(C)c1C#N 598858770 PHRODXJJFQNDLC-KGLIPLIRSA-N 285.391 3.725 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cc(C)sc2C)n1 598853644 OBEFRCHROJRWPV-UHFFFAOYSA-N 285.372 3.501 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1cc(OC)ccc1Cl 743001255 CUYPPTZVCUKUFD-SECBINFHSA-N 284.812 3.600 30 20 CHED C=CCCSCCNC/C=C\c1ccccc1[N+](=O)[O-] 594960333 OJWIYYRSUNPGMO-VURMDHGXSA-N 292.404 3.507 30 20 CHED COc1ccccc1CON=C1CCC(F)(F)CC1 842531240 CHDLZJSWZZLBOU-UHFFFAOYSA-N 269.291 3.777 30 20 CHED C=CC[C@@H]1N(Cc2oc(C)nc2C)CCCC1(C)C 685578076 ONUNAVMXHDQWOH-HNNXBMFYSA-N 262.397 3.858 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@H](C(C)C)CC1 685543972 ABZWCPNLECUDCH-HNNXBMFYSA-N 290.455 3.850 30 20 CHED Cc1ccc(CC(=NNc2cc(C)ncn2)C2CC2)cc1 741842994 OMWHPONJWYYGBD-UHFFFAOYSA-N 280.375 3.514 30 20 CHED C=C(CNC(=O)c1c(C)cccc1C)c1ccccc1 685215805 MIVBQMPWGHFKSL-UHFFFAOYSA-N 265.356 3.747 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc([C@H](C)CC)cc1 847170467 ZGMPMOTWHKGMET-DOMZBBRYSA-N 258.365 3.574 30 20 CHED CCC(=NNc1cc(C)ccc1C)c1c(C)nn(C)c1C 741838233 RBLICIGHWRHJFP-UHFFFAOYSA-N 284.407 3.880 30 20 CHED COc1cccc(CC2CCN([C@@H](C)CCC#N)CC2)c1 591026549 OONKYBYTIITTSK-HNNXBMFYSA-N 286.419 3.642 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC(CCc2ccc(C)cc2)CC1 593394029 JEKKVAQEKMNORB-SFHVURJKSA-N 298.430 3.716 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2coc3ccccc23)cc1 746557688 JNSWEFQHTCJXTH-UHFFFAOYSA-N 281.271 3.787 30 20 CHED CCC[C@H](NC(=O)N1CCC(CCC#N)CC1)C(C)(C)C 592010441 RCAIJDIEQNROMK-HNNXBMFYSA-N 293.455 3.927 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1(C)CCC(F)(F)CC1 680296596 OQRIDXYNGXTXSY-GFCCVEGCSA-N 288.382 3.998 30 20 CHED Cc1nc2cc(NCC3(CC#N)CC3)ccc2s1 849315653 CGRHEBHYOBISLG-UHFFFAOYSA-N 257.362 3.711 30 20 CHED Cc1cccc(C2(C(=O)N3CCC[C@@H](C#N)C3)CCCC2)c1 928223604 BZUZZMPNLCVSMN-INIZCTEOSA-N 296.414 3.569 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)c1ccc(CC)cc1 921147839 MVGPCGWIIMMFQO-CQSZACIVSA-N 275.392 3.583 30 20 CHED C=CC(C)(C)CCOC(=O)CCCC(F)(F)F 851299774 ZDQIOPTUSPOLTA-UHFFFAOYSA-N 252.276 3.865 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc3c(c2)CCN3C)c1 751524885 SYDOCZUDLGCTLZ-CLFYSBASSA-N 277.367 3.883 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H]1CC(=O)c1ccccc1 683889843 QMJUUCZOLYXIRE-RDJZCZTQSA-N 284.403 3.664 30 20 CHED Cc1cc(C=NNc2cccc(Cl)c2)c(C)n1C 754896121 YNRHEKNUJMKIOR-UHFFFAOYSA-N 261.756 3.741 30 20 CHED C[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)C1CCCC1 750200230 BIAXHESQDGQAPX-QWHCGFSZSA-N 271.360 3.989 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](CCC#N)c1ccccc1 925602241 SNDKTSCQDHLZAT-GDBMZVCRSA-N 269.392 3.949 30 20 CHED COc1ccnc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)c1 925602726 XGHXYNWBLSFFBM-PBHICJAKSA-N 295.386 3.786 30 20 CHED COc1ccc2nc(C=NN3CCCC[C@H]3C)sc2c1 853378911 FAURYOQQNYJNAU-LLVKDONJSA-N 289.404 3.513 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2ccc(C)o2)CCCC1 855927499 RBZYWOCGRNUGCO-ZDUSSCGKSA-N 261.365 3.697 30 20 CHED CC(C)c1ncc(C=NNc2c(F)cccc2F)s1 758370657 QNMDUHCPOXHXQA-UHFFFAOYSA-N 281.331 3.991 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cnc(CC)o1 930272595 JFGXYJFWJYSQKJ-UHFFFAOYSA-N 270.376 3.815 30 20 CHED C=CCC[C@@H](C(=O)NCc1ccns1)c1ccccc1 862410806 IXCQVGAVJZVBPS-OAHLLOKOSA-N 286.400 3.509 30 20 CHED C#C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 864020375 WCMDCRIMNHOPES-AWEZNQCLSA-N 270.263 3.520 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnc(CC(C)C)s1 935697764 MTDKVRYDGXDAGG-GFCCVEGCSA-N 278.421 3.522 30 20 CHED N#Cc1ccsc1NC(=O)NC[C@H]1CCCC(F)(F)C1 931837032 HAPUFOIZXYPNCR-VIFPVBQESA-N 299.346 3.567 30 20 CHED CCCCC[C@@H](CC)C(=O)OCC1(C#N)CCC1 768079252 ZEXZENFYZUCQIS-CYBMUJFWSA-N 251.370 3.830 30 20 CHED CCO[C@H]1CCCC1=NN[C@H](Cc1ccccc1)C(C)C 766477927 MUNIMKZXSULYLH-MSOLQXFVSA-N 288.435 3.788 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cnc(C)s1 761274287 RYYDKCDJUUMLSA-UHFFFAOYSA-N 263.341 3.735 30 20 CHED CC(=O)c1ccc(C(=O)OCCCCC(C)(C)C#N)cc1 768594963 UUOVQQCPFRDBQD-UHFFFAOYSA-N 287.359 3.766 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(OCCC(C)C)cc1 1116620609 LBTQKJWHNYZLMP-NVXWUHKLSA-N 291.435 3.963 30 20 CHED CC(C)O[C@H]1CC(=NN=c2cc[nH]c3ccccc23)C1(C)C 764910752 UTENUWOTSQHIIV-KRWDZBQOSA-N 297.402 3.648 30 20 CHED CCC1(C(=O)OCc2ccc(C#N)s2)CCCC1 1118397674 GCDZBHZYQLOXSQ-UHFFFAOYSA-N 263.362 3.633 30 20 CHED CCCC(CCc1ccccc1)=NNCC(F)(F)F 769813443 FVHVSCZUPJKTKA-UHFFFAOYSA-N 272.314 3.927 30 20 CHED N#Cc1ccc([C@H](O)CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 763234713 SNMWSLSWQJUZIL-JCHJZTRSSA-N 298.430 3.540 30 20 CHED C#CCCCCc1nc([C@H]2CCCc3ccccc32)no1 761559321 PRKLCVQXBVDOLZ-INIZCTEOSA-N 280.371 3.884 30 20 CHED CCc1cccnc1C(C)=NNc1cccc([N+](=O)[O-])c1C 779773934 QIBXSDSMEIQVDU-UHFFFAOYSA-N 298.346 3.697 30 20 CHED CCC[C@H](CC)C(=O)N(CC)c1ccc(C#N)cc1 875378885 ZEERYRBMLLZJPA-AWEZNQCLSA-N 258.365 3.737 30 20 CHED N#CC1(CSCc2nsc3ccccc23)CC1 1119606200 ABXWLYIJTFYSDG-UHFFFAOYSA-N 260.387 3.833 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1ccc(-n2cccn2)cc1 878901616 WLBNTPSDAOAXSZ-WCIBSUBMSA-N 292.313 3.908 30 20 CHED CCCCCCCC(=O)N1CCOCC2(CCCC2)C1 773066784 VBCSXLAWGRHCGL-UHFFFAOYSA-N 281.440 3.766 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H](C(C)C)CC1 779916297 VJCRGXIGZRKPON-MRXNPFEDSA-N 263.425 3.855 30 20 CHED CC[C@H](N[C@@H](C)Cc1ccco1)c1ccc(C#N)cc1 774116909 PDIVRDVUHAHDHH-GUYCJALGSA-N 268.360 3.823 30 20 CHED C=CCC[C@@H](NC(=O)/C=C\SC)c1ccccc1 772169115 FKBHBSPDYKNTCP-XMXAVACDSA-N 261.390 3.687 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cc(C#N)ccc2F)C1 888359904 RZJZRFODATYAAD-VXGBXAGGSA-N 289.354 3.740 30 20 CHED CC(C)(C)OCc1cccc(NC(=O)c2ccc(C#N)o2)c1 885618267 SDQBLUHZRYVIPK-UHFFFAOYSA-N 298.342 3.719 30 20 CHED Cc1cc(C)c([C@@H](C)NCc2ccc(C#N)cn2)cc1C 783300108 IEGTYOORFLJZER-OAHLLOKOSA-N 279.387 3.729 30 20 CHED CC(C)(C#N)CCCOC(=O)CCSC(F)(F)F 782999449 APKWIPFIAJYWTN-UHFFFAOYSA-N 283.315 3.503 30 20 CHED O=C(/C=C\c1cnc(-c2ccco2)s1)c1ccco1 789143370 PNPUWCTYKCLRTM-WAYWQWQTSA-N 271.297 3.892 30 20 CHED CCC(CC)NN=C(C)CCc1n[nH]c2ccccc12 782225975 LNVWGLJPACEGBT-UHFFFAOYSA-N 272.396 3.650 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@@H]1[C@H](C)CCC 1121699529 YXYPJWLIUKQWEV-VXGBXAGGSA-N 298.381 3.807 30 20 CHED C#C[C@H](OC(=O)Cc1sc(C)nc1C)c1ccc(C)cc1 893251891 YLQFRSDSXQEMIS-HNNXBMFYSA-N 299.395 3.529 30 20 CHED C=C[C@@](C)(CC)C(=O)OCCCCOC(C)(C)C 789101838 ZFMKCUIAZJWXJY-HNNXBMFYSA-N 256.386 3.727 30 20 CHED COc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1C 782194306 NBQXPVZUIOMBAF-HWKANZROSA-N 287.746 3.948 30 20 CHED COc1ccc(CN2CCC[C@H](C#N)C2)c2ccccc12 896505081 LHADYQNZACIXFA-CQSZACIVSA-N 280.371 3.584 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cnn(C(C)C)c1C 787153293 LVZAEHFCYSZZQZ-CYBMUJFWSA-N 284.407 3.847 30 20 CHED Cc1cccc2c1OCC[C@H]2OC(=O)c1cccc(C#N)c1 789494139 GYTUUVQEZKVHFX-MRXNPFEDSA-N 293.322 3.547 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(C(=O)N2CCCC2)cc1 894206496 YGPMFIANXWFQTP-CQSZACIVSA-N 299.418 3.663 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)c(F)c(F)c1F 893160523 XXINXFOEVUAVPA-UHFFFAOYSA-N 275.245 3.784 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Br)c(C)c1 393838229 ORRBAURRRGEQQW-LBPRGKRZSA-N 296.208 3.842 30 20 CHED CSCCON=C1CCC[C@@H]1c1ccc(C)cc1 794571475 AJIATSQUHQQYLN-CQSZACIVSA-N 263.406 3.998 30 20 CHED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCF)n2)cc1 892512415 FSVLADDGQHZIPH-LBPRGKRZSA-N 288.347 3.654 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2ccc(C#N)s2)c(O)c1 799896431 VWUIGKIPDKMSBY-WAYWQWQTSA-N 283.352 3.838 30 20 CHED Cc1ccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)cc1C#N 799342880 RWAKSYQITAVKPO-JSGCOSHPSA-N 270.376 3.517 30 20 CHED C=CCCCOC(=O)CSCc1ccc(F)cc1 735523901 UKCZZKXGJMCGPI-UHFFFAOYSA-N 268.353 3.568 30 20 CHED C[C@@H](NN=Cc1c(F)cccc1Cl)C(C)(C)C 793117761 YCJPXDMIMRJRFB-SECBINFHSA-N 256.752 3.837 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N 592001620 FROLNCUNWWHTJO-JQWIXIFHSA-N 275.421 3.557 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)NCCCCC#N 592590754 GRMAFFAGUWCTSB-CQSZACIVSA-N 250.386 3.569 30 20 CHED C[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1202506163 MXTZVFRWNGSVCL-NSHDSACASA-N 283.306 3.580 30 20 CHED C=CCN(Cc1cnc(Cl)cn1)CC1CCCCC1 799122263 YXYIMZHUYBCHAJ-UHFFFAOYSA-N 279.815 3.698 30 20 CHED CC[C@H](C)NN=C(C)c1ccc(SC)c(F)c1 790191695 WASYXLXUXVOEAM-VIFPVBQESA-N 254.374 3.660 30 20 CHED C=CCN(C(=O)Nc1c(OC)ccc2c1CCC2)C(C)C 792452976 QVSVFOCVLMYWEZ-UHFFFAOYSA-N 288.391 3.612 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccc(Cl)cc1Cl 794689382 BEGDIGQSFRNDMB-WAYWQWQTSA-N 295.169 3.931 30 20 CHED CC[C@H](CNc1ccc(F)c(C#N)c1)CC(F)F 594700520 JFIWEADYIGNCGS-VIFPVBQESA-N 256.271 3.791 30 20 CHED C#CCCOc1ccc(CN[C@@H](CC)CC=C)cc1 798502971 ZHSCFTKUIVELPI-INIZCTEOSA-N 257.377 3.533 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](CC)CC=C)cc1 798937202 PAPAISOGYXRRHR-ZBFHGGJFSA-N 257.377 3.704 30 20 CHED CCCCN(CC)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790110021 BNTYFNHLLPVNJS-UHFFFAOYSA-N 297.320 3.706 30 20 CHED C=C(C)CCc1noc(Cc2c[nH]c3cc(C)ccc23)n1 795763644 CUNFBSCWXIPGPQ-UHFFFAOYSA-N 281.359 3.959 30 20 CHED C/C(=C/C(=O)NCC1(CC#N)CC1)c1ccccc1Cl 797563265 RHIQSABRBLYPSM-BENRWUELSA-N 288.778 3.553 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C1CC2(CCC2)C1 695652496 XLYPOIJLJGIJIH-UHFFFAOYSA-N 274.751 3.730 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](C)[C@H]1CO 785780164 XYQOLOUJACTYFW-HZPDHXFCSA-N 283.456 3.747 30 20 CHED C[C@H](c1nccc2ccccc12)N1CCC(C)(C#N)CC1 1308637953 AXTXNJHTYPYMEY-CQSZACIVSA-N 279.387 3.921 30 20 CHED C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[C@H]2CC[C@H]1C2 1162090719 PVMNJUTUPHKCIH-XFWSIPNHSA-N 281.812 3.905 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 1162861331 FOUHEULTFWDITC-JEBQAFNWSA-N 278.330 3.838 30 20 CHED Cc1cccc2nc(CSCC3(CC#N)CC3)cn12 1327689153 RBQFQTPVMZRNQH-UHFFFAOYSA-N 271.389 3.570 30 20 CHED C#CCN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)C1CC1 1325310197 RUIDLZAQDMPALN-ZZXKWVIFSA-N 294.181 3.631 30 20 CHED C=C(CNC(=O)N[C@H](CC)[C@@H]1CC1(C)C)c1ccccc1 1251694843 POEQWHYTGYKCDY-JKSUJKDBSA-N 286.419 3.824 30 20 CHED C=C[C@H](COC)NC(=O)C1(C2CCCCC2)CCCCC1 1339565113 QFCYAVKKGULCEA-MRXNPFEDSA-N 293.451 3.834 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1330885680 JHLVCRDYPAZRCU-SECBINFHSA-N 269.747 3.869 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1ncccc1C 1336776311 QJNFMZRZSYMRBP-CQSZACIVSA-N 262.397 3.928 30 20 CHED CC(C)C[C@@H]1C[C@H]1c1nnc(COc2ccccc2C#N)o1 1330077401 FGWROWBXKZUHSD-ZIAGYGMSSA-N 297.358 3.670 30 20 CHED CCCCCC[C@@H](C)CC(=O)[C@H](C#N)c1nccn1C 1342163147 CAURYIZECLDVAL-KGLIPLIRSA-N 275.396 3.593 30 20 CHED C#CCCCCC(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1344930011 LGJFORHEZNUWSM-NSHDSACASA-N 299.761 3.586 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(-c2nncn2CC)c1 1345065108 NMGLWDOBGHNSLA-CYBMUJFWSA-N 298.390 3.506 30 20 CHED CC(C)CCC[C@H](C)NC(=O)CC#Cc1ccccc1 1340357810 XSZQNAXVDOYMMM-INIZCTEOSA-N 271.404 3.759 30 20 CHED C=C(Cn1c(CC)nnc1N(C)C1CCC1)c1ccccc1 1286617731 QEONXTQBUSMSCH-UHFFFAOYSA-N 296.418 3.543 30 20 CHED CCC(C#N)(CC)C(=O)N1CCCc2c(C)cc(C)cc21 1529841635 VWBSYYCOXVSXRI-UHFFFAOYSA-N 284.403 3.913 30 20 CHED N#CC[C@H](OC(=O)c1ccccc1OC1CC1)c1ccco1 1526993239 QVUJKXYPJBZUTH-INIZCTEOSA-N 297.310 3.633 30 20 CHED Cc1cc(N2CCC(CC(C)C)CC2)ncc1C#N 1458236883 KBQDTRORMCICGZ-UHFFFAOYSA-N 257.381 3.524 30 20 CHED CC1(C)C(CNC(=O)c2ccc(Cl)c(C#N)c2)C1(C)C 1524690911 VBHQEBXHPCTVJR-UHFFFAOYSA-N 290.794 3.624 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cc3occc3s2)n1 1532074241 YEPLRTLZKWUMQX-UHFFFAOYSA-N 297.339 3.630 30 20 CHED Cc1cccc(Cl)c1C(=O)Nc1ccc(C#N)c(F)c1 1460672502 HOURVPQEVGALBE-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CC[C@H](S[C@H](C)c1ccccc1OC)C(=O)O 1602850689 YCWCYDRWPGUSRT-MFKMUULPSA-N 266.362 3.519 30 20 CHED C=C(CNC(=O)c1ccc(C)c(F)c1F)c1ccccc1 1460673918 MDXBDYLEIWDUEX-UHFFFAOYSA-N 287.309 3.716 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1cc2c(Cl)cccc2s1 1544670406 XBQGLCHJPZHEDC-QMMMGPOBSA-N 278.764 3.539 30 20 CHED CC(=O)c1ccc(F)cc1OCc1ccc(C#N)s1 1613623162 JWBHQXSLXUYFLD-UHFFFAOYSA-N 275.304 3.540 30 20 CHED CNc1ccc(C(=O)N(C)c2cccc(C#N)c2)c(Cl)c1 1542278614 NAHWIOPSJGHJBI-UHFFFAOYSA-N 299.761 3.530 30 20 CHED COc1cc(NC(=O)c2ccccc2CC#N)c(C)cc1C 1633880578 USQSLDMXDMSTIC-UHFFFAOYSA-N 294.354 3.630 30 20 CHED CCC(CC)Nc1nccc(Oc2cccc(C#N)c2)n1 1639178603 XZJVHZHNYVIFPC-UHFFFAOYSA-N 282.347 3.741 30 20 CHED N#Cc1cccc(NC(=O)Nc2ccccc2OCCF)c1 1562143511 FGOUDAAMBJOXHE-UHFFFAOYSA-N 299.305 3.551 30 20 CHED CSc1ccc(Nc2cc(C#N)nc(C)n2)cc1Cl 1639570316 QUIVDERVYLZYTL-UHFFFAOYSA-N 290.779 3.776 30 20 CHED N#C[C@@H](c1ccccc1)N1CCc2ccc(F)c(F)c2C1 1642281371 KHCWPAQAEIWDFR-INIZCTEOSA-N 284.309 3.588 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1cscc1Cl 1643973589 ZFYDJJPITVPAMR-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1cc(S[C@@H]2CCc3ccccc3C2)ncc1C#N 1652034279 GULMXOYKFAPFMP-MRXNPFEDSA-N 280.396 3.911 30 20 CHED CCC[C@@H](NCCc1ccc(C#N)cc1)[C@H]1CC1(C)C 1658538053 SXHJZEGFPQNDGG-IAGOWNOFSA-N 270.420 3.905 30 20 CHED Cc1ccc(COc2cccc(F)c2C#N)c(C)c1 1652733097 NQSKAMSYRHXZDU-UHFFFAOYSA-N 255.292 3.893 30 20 CHED Cc1ccc2oc(CNc3nccc(C)c3C#N)cc2c1 1652046396 MEDDJKXQLLQKAM-UHFFFAOYSA-N 277.327 3.928 30 20 CHED CN1CCN(Cc2cccc(C#N)c2)c2ccc(Cl)cc21 1654412787 WZYVCRDDPJUUNM-UHFFFAOYSA-N 297.789 3.668 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2sccc2C#N)s1 1663159916 SYDGYQVWNGEDOP-SECBINFHSA-N 291.401 3.872 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cc(C(=O)O)ccc1Cl 1593904768 KSISIIPVONQYPQ-CYBMUJFWSA-N 294.782 3.540 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(F)cc1C#N 1669604916 PKOWVUVASRSSMT-MEDUHNTESA-N 289.354 3.788 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1ccc(C)cn1 1776783931 ATMONHQCFBRYGY-OAHLLOKOSA-N 292.423 3.683 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1ccc(-c2ccccc2)cc1 1776148617 WIJBZZPHGPCOGT-SFHVURJKSA-N 295.382 3.863 30 20 CHED Cc1cc(C)c(C(=O)O)cc1C=NOC1CCCCC1 1776056388 HMWJSDLPTVHKMN-UHFFFAOYSA-N 275.348 3.685 30 20 CHED CC[C@@H](C)[C@H]1CCC(=NNc2ccc(C(=O)O)cc2)C1 1776012817 PGZFVDFRBSOLQE-YPMHNXCESA-N 274.364 3.999 30 20 CHED Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 15076656 FNKOTUQUKGJTOF-AWEZNQCLSA-N 294.354 3.581 30 20 CHED CCC(=O)c1ccc(OCc2cc(C#N)ccc2F)cc1 19806311 DAUCGRFOVPNTCA-UHFFFAOYSA-N 283.302 3.869 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 161041727 IKAJBXYRDMJEEL-MNOVXSKESA-N 284.186 3.789 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2cccnc2)cc1 206084306 UZDYHSUDCMUIAU-YHYXMXQVSA-N 267.328 3.767 30 20 CHED C=CCN(CC=C)C(=O)c1cncc(-c2ccccc2)c1 160881289 ZDLPRCCSUGACEA-UHFFFAOYSA-N 278.355 3.563 30 20 CHED C=CCc1cc(CN2Cc3ccccc3C2)c(O)c(OC)c1 164300219 PZKIACMTLWISDY-UHFFFAOYSA-N 295.382 3.645 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)[C@@H]1COc2ccccc21 166332013 VFCVKKKOSISSPO-LRDDRELGSA-N 264.328 3.535 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCc2cc(O)ccc21 166726910 PZYRKIWHIXIUFO-LCYFTJDESA-N 295.294 3.513 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(C)cnn1-c1ccccc1 152927802 CMSRFDAQGZNCMV-UHFFFAOYSA-N 295.386 3.888 30 20 CHED C=CC1CCN(Cc2nnc(-c3ccccc3)s2)CC1 155219898 BGPIUVLPGFMQHX-UHFFFAOYSA-N 285.416 3.603 30 20 CHED C=CCCCSCC(=O)NCc1ccc(Cl)s1 154938199 DFACXRGTIXJKLW-UHFFFAOYSA-N 289.853 3.717 30 20 CHED Cc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)cc1 209192827 FKEPGLDGSCKWFO-DAXSKMNVSA-N 273.313 3.861 30 20 CHED N#Cc1ccccc1NC(=O)c1nc(Cl)ccc1Cl 19965786 LXSUMINFEXFNKF-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1cccc(Br)c1N[C@H]1CCCSC1 1163390306 LONWLSBPYAXHOC-JTQLQIEISA-N 297.221 3.628 30 20 CHED N#Cc1ccc(OCc2ccccc2[N+](=O)[O-])c(Cl)c1 28141388 HZYLNUWDZCIRFV-UHFFFAOYSA-N 288.690 3.699 30 20 CHED Cn1cc(CNc2ccc(C3CCC3)cc2)cc1C#N 278699514 JLEIWWLXAQTJID-UHFFFAOYSA-N 265.360 3.776 30 20 CHED C[C@H](N[C@H](C)Cc1ccsc1)c1ccc(C#N)cc1 49154485 JXEHIZOXOLETRB-OLZOCXBDSA-N 270.401 3.902 30 20 CHED N#Cc1ccc(OCC2CC(F)(F)C2)cc1Cl 295306350 KLIIVQYCCWXECE-UHFFFAOYSA-N 257.667 3.636 30 20 CHED CCc1nc(C#N)cc(Sc2ccc(C)cc2C)n1 308279210 DHBJUKBMNPBUFP-UHFFFAOYSA-N 269.373 3.679 30 20 CHED Cc1cc(N[C@@H](C)CCOCc2ccccc2)cc(C#N)n1 308273945 AMJRAOKSPASRIS-AWEZNQCLSA-N 295.386 3.669 30 20 CHED Cc1nc(NCC[C@H](C)c2ccccc2)ccc1C#N 312458183 KUGJZFALZYXYFB-ZDUSSCGKSA-N 265.360 3.867 30 20 CHED C=CCCCCNC(=O)Nc1ccc(Cl)c(C(=O)O)c1 312527036 UYJWQGGZQJNMDD-UHFFFAOYSA-N 296.754 3.516 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cccc(CC#N)c1 313428743 CILIBDPCBAUVQP-CQSZACIVSA-N 258.365 3.763 30 20 CHED C=CCC[C@H](C)NCc1ccc(OC)c(Cl)c1 718953861 BVZRDVNWOKVLCK-NSHDSACASA-N 253.773 3.793 30 20 CHED CCc1ccc(NC(=O)C(C#N)(CC)CC)cc1C 394038447 QXTPWNYNBXOTBX-UHFFFAOYSA-N 258.365 3.826 30 20 CHED CC(C)(CCC#N)CNCc1cc(F)c(F)c(F)c1 342296832 JNCIJWIKOWMTDA-UHFFFAOYSA-N 270.298 3.523 30 20 CHED Cc1cc(NC(=O)C(C)(C)C#N)ccc1Oc1cccnc1 57310556 ICGALOBUOSQNIL-UHFFFAOYSA-N 295.342 3.671 30 20 CHED CCOc1ccccc1NC(=O)CCc1ccc(C#N)cc1 10412669 SNQHDSARKNDXQN-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(OC)nc1 348219985 BOBIJIVWRSQQII-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)cc1 175751893 CDRXSGNIGIJEOR-KSSFIOAISA-N 290.366 3.576 30 20 CHED C#CCOc1cccc(NC(=O)[C@H](C)c2ccccc2F)c1 108973567 ZBWQBFLQDNTYGK-CYBMUJFWSA-N 297.329 3.580 30 20 CHED CCCn1nc(C)c(/C=C2\Cc3ccccc3C2=O)c1C 178028430 MDUGVDIPGVKHDG-RVDMUPIBSA-N 280.371 3.732 30 20 CHED Cc1c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)oc2ccccc12 179986483 XKFOJPLTNHQPTM-VXGBXAGGSA-N 269.300 3.590 30 20 CHED N#Cc1cc2c(nc1N[C@H]1CCCc3sccc31)CCC2 61364196 TWXMSQMGAIYWMR-HNNXBMFYSA-N 295.411 3.993 30 20 CHED CCCCCCCC(=O)N1CCc2cc(C(=O)O)ccc21 59095633 FZGNHAWYHZQAQY-UHFFFAOYSA-N 289.375 3.634 30 20 CHED C[C@H](c1cccc(O)c1)N(C)Cc1cc(C#N)ccc1F 111239508 CXSROIMWUPRXBF-GFCCVEGCSA-N 284.334 3.596 30 20 CHED CCCCCCC[C@@H](C)NC1CCN(CC)CC1 103128425 SJMXPFPRKDLGDV-OAHLLOKOSA-N 254.462 3.809 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 55428189 XQFJEDYPKUKZIG-LRDDRELGSA-N 292.338 3.945 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)ccc1NC(C)=O 177781817 HPIAXBYECCJWTO-UHFFFAOYSA-N 280.755 3.593 30 20 CHED N#Cc1ccc(CNC2CC(c3ccccc3)C2)cc1F 404577828 SYQQERHOCFVUON-UHFFFAOYSA-N 280.346 3.733 30 20 CHED Cc1cc2cc(/C=C/C(=O)c3cnccn3)oc2cc1C 178549236 UIINFMJLMVPWQO-ONEGZZNKSA-N 278.311 3.736 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(O[C@@H](C)CC)cc1 176616042 CJTJILSMASCYQH-OLZOCXBDSA-N 261.365 3.558 30 20 CHED CCN(C(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(C#N)cc1 174079496 ZQBMUPRQHCHQMF-BZUAXINKSA-N 282.387 3.737 30 20 CHED CN(C(=O)CCCC1CCCCC1)C1(C#N)CCC1 66336548 BJADGUJFXLOXHK-UHFFFAOYSA-N 262.397 3.642 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccc(F)cc1F 177871527 NHWZGEXXVWKSAJ-VIFPVBQESA-N 271.332 3.601 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1ccccc1 178540885 FFYDRXQKVUVNKP-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED C=CCCCSc1nnc(-c2ccc(OC)cc2)o1 117545231 IWWAMODETNZVRQ-UHFFFAOYSA-N 276.361 3.804 30 20 CHED Cc1ccc(SCCNCc2ccc(C#N)s2)cc1 176942871 IZPMEGOSEALNPY-UHFFFAOYSA-N 288.441 3.810 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 175870872 ARPCHQXLPKDDLR-JKSUJKDBSA-N 274.433 3.712 30 20 CHED CC(C)[C@H](C/N=C/c1ccccc1O)c1cccnc1 177545111 BPVPRKVISWZPAH-ZVCOJXFSSA-N 268.360 3.646 30 20 CHED COc1cc(Cl)ccc1CNCC(C)(C)CCC#N 174370463 BEILURJZLMBJLF-UHFFFAOYSA-N 280.799 3.768 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 178546381 IXDRTCOPVLNFAS-BXUZGUMPSA-N 271.364 3.567 30 20 CHED C=C(C)CNCc1cccc(OCc2cccc(C#N)c2)c1 119627487 WDYKDFVYEUGMMF-UHFFFAOYSA-N 292.382 3.803 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2ccc(Cl)cc2[nH]1 116857573 SLCMVVYMQPJODD-SECBINFHSA-N 262.740 3.516 30 20 CHED C=CCCNc1cccc(OCC(F)(F)F)c1C 303898093 SKSAQQSIHFMRGU-UHFFFAOYSA-N 259.271 3.924 30 20 CHED CC[C@@H](CNc1cccc(C#N)n1)Oc1ccccc1C 301524553 FNJDDUYBXRXTQJ-HNNXBMFYSA-N 281.359 3.531 30 20 CHED Cc1ccc(C[C@H](NCCCCC#N)C2CC2)cc1 178650376 QGKFXHKYPFKWAS-KRWDZBQOSA-N 256.393 3.600 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2ccccc2)cc1 174285940 UHZTVJRELBPFTP-ZDUSSCGKSA-N 252.317 3.590 30 20 CHED Cc1ccc(CN(C(=O)NCCCCC#N)C2CC2)cc1C 172621666 VFTNYJYWZCGYHD-UHFFFAOYSA-N 299.418 3.671 30 20 CHED CC(C)N(CCNc1cc(Cl)ccc1C#N)C(C)C 62785169 OLLHZLLUIPUYKW-UHFFFAOYSA-N 279.815 3.742 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccc(C)cc1SC 129530703 JNMNIYUTJFPKIT-UHFFFAOYSA-N 290.432 3.601 30 20 CHED Cc1ccccc1[C@H](NCCCSCC#N)C(C)C 183234076 RLRYTEOMYNJFGM-MRXNPFEDSA-N 276.449 3.929 30 20 CHED C=CC[C@H](C(=O)N[C@@H](CC)CSC)c1ccccc1 188973087 IGGUEOWZIBRSMP-GJZGRUSLSA-N 277.433 3.604 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1sc(C)nc1CC(C)C 127481855 PLRHGUCKXLDNBS-LLVKDONJSA-N 296.436 3.570 30 20 CHED C=C(C)[C@H](NCc1cccn1C)c1ccc(F)c(F)c1 187371944 ZEDJVOMUYIZSHL-INIZCTEOSA-N 276.330 3.710 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccccc1Cl 189377524 RALRLWPIAOWZMI-UHFFFAOYSA-N 274.682 3.603 30 20 CHED COc1ccccc1C/N=C/c1cc2ccccc2nc1O 121769273 CYBSLGGQEHXFMT-XDHOZWIPSA-N 292.338 3.568 30 20 CHED CCc1nnc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C#N)c1CC 124882138 UNWXDLXOZNWWCR-MQIPJXDCSA-N 286.423 3.710 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(-c2cc[nH]n2)c1 185949365 HPALCGPQLGPZEB-UHFFFAOYSA-N 284.363 3.507 30 20 CHED C#CCCCN[C@@H]1CCCSc2ccc(OC)cc21 188087520 ILQOGPHJCLMJHN-OAHLLOKOSA-N 275.417 3.625 30 20 CHED C[C@H](NCC1(c2ccccc2)CC1)c1cccc(C#N)c1 181448265 RTHITWNUKKLKAO-HNNXBMFYSA-N 276.383 3.941 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc3ccccn3c2)c1 74565711 WTDJWYFFVUFLKE-UHFFFAOYSA-N 288.350 3.587 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(OC(F)F)cc2)C1 185723798 RSBHOTKXWLDQOF-JQWIXIFHSA-N 266.291 3.782 30 20 CHED C[C@H](C#N)CNCc1cc(Cl)ccc1OC1CCCC1 183828718 JIODWVULJBRCAZ-GFCCVEGCSA-N 292.810 3.911 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 38709200 UERYCQKVPXFVSE-QPJJXVBHSA-N 297.310 3.813 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)c1ccc2ccccc2c1 180423872 ZCNGIBZFBMACMU-AWEZNQCLSA-N 267.372 3.978 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@@H](CC)CCCC 217420479 OPOQKJRPPFDQCK-AWEZNQCLSA-N 254.418 3.810 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3ccc(F)cc3F)cnc12 125303702 NZYBXRRHCCUMCX-FNORWQNLSA-N 298.292 3.817 30 20 CHED C=C(C)CN(CC)Cc1cc(O)ccc1Br 505890416 BDBCNLPERUKVTM-UHFFFAOYSA-N 284.197 3.553 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(F)c(C)c1 121448014 GBNKJWASKSFPJF-UHFFFAOYSA-N 276.355 3.727 30 20 CHED CCn1c(-c2ccc(C#N)cc2F)nc2ccc(F)cc21 502778617 RATMUGYQUZWDGA-UHFFFAOYSA-N 283.281 3.873 30 20 CHED C[C@@H](NCCCCC#N)c1c(F)cccc1Cl 181748691 SQECYWHMFQGQIO-SNVBAGLBSA-N 254.736 3.824 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)C1(C)C 32617861 RPLSNDLOPOIEOG-DLBZAZTESA-N 296.414 3.755 30 20 CHED C[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1cccs1 78041084 WMBUUFJAQNDKHM-LLVKDONJSA-N 270.357 3.556 30 20 CHED C#CCCCCNC(=O)Nc1cc(F)c(SC)c(F)c1 184406415 PDAHNAWDHMINQR-UHFFFAOYSA-N 298.358 3.612 30 20 CHED C[C@H](CC(F)F)C(=O)Nc1ccccc1SCCC#N 412065215 COZHYSSWCZMRKN-SNVBAGLBSA-N 298.358 3.922 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(C)o1 77380127 ZZJMSFJNJGSWDO-UHFFFAOYSA-N 285.347 3.577 30 20 CHED Cc1cc([C@@H](C#N)C(=O)c2ccc(C(C)C)cc2)nc(C)n1 41574283 XQHWXDFZQLRXIJ-MRXNPFEDSA-N 293.370 3.707 30 20 CHED C=CC[C@H](C(=O)Nc1cnn(CC2CC2)c1)c1ccccc1 189983592 FNRXDIXAGDWNEX-KRWDZBQOSA-N 295.386 3.592 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)C1(C#N)CCCCC1 412802992 BLXZONVSGZIZGR-UONOGXRCSA-N 276.424 3.791 30 20 CHED CS[C@H]1CC[C@@H](Nc2cc(Cl)ccc2C#N)C1 78476403 CEDKBUDXGWRHHE-NEPJUHHUSA-N 266.797 3.908 30 20 CHED C=CCOc1cccc(CNCCC2CC(OCC)C2)c1 188788027 OVJITAZTGSYBEV-UHFFFAOYSA-N 289.419 3.546 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(OCCCOC)c1 188495303 ZIIFUZKPWMUTAZ-QGZVFWFLSA-N 291.391 3.643 30 20 CHED C[C@H]1CCC[C@H](CON=C2CCC3(CC2)OCCO3)C1 180791271 ISMDVELKZTXJFE-KBPBESRZSA-N 281.396 3.502 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cnc2cc(C)nn2c1C 182182373 VTOGMUPYCOKLDZ-JSGCOSHPSA-N 286.423 3.742 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCc1csc(C)n1 182600363 JNUFAXVERJCRHS-GFCCVEGCSA-N 280.437 3.635 30 20 CHED Cc1ccc(COc2ccc(CNC[C@@H](C)C#N)cc2)cc1 183820888 RVMRFFWIEVOXCT-INIZCTEOSA-N 294.398 3.823 30 20 CHED Cc1noc(C)c1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329680998 WRJGHTQXNHLFAH-RWMBFGLXSA-N 262.353 3.565 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C(F)(F)F)cc1 47465427 OBADDUZPOZWHKX-UHFFFAOYSA-N 269.266 3.520 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)c1cc2ccccc2s1 190983657 IWHCOOUUCHKRSN-GFCCVEGCSA-N 295.411 3.962 30 20 CHED CCC(CC)S[C@H](C)C(=O)Nc1ccccc1C#N 131849482 NHDAJMAYLPFNOV-LLVKDONJSA-N 276.405 3.807 30 20 CHED Cc1cccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 193051395 BUSZJLMINWHLDD-UHFFFAOYSA-N 290.366 3.672 30 20 CHED CCC1CC(=O)C(=CNc2ccc(C)cc2C)C(=O)C1 194955618 IHUWNOGOJCTKRS-UHFFFAOYSA-N 271.360 3.557 30 20 CHED N#Cc1ccc(NCC[C@@H]2CCCCO2)cc1C(F)(F)F 227317750 HHMWITHYYUEUBM-ZDUSSCGKSA-N 298.308 3.948 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(OC)c(O)c1)c1ccccc1 195198732 WDJKYHWQRJCJDZ-CYBMUJFWSA-N 297.354 3.699 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc3c2OCCO3)s1 48625240 IYPAWGOBIYAZHB-VOTSOKGWSA-N 286.352 3.724 30 20 CHED CC(C)(C)c1nc(C(=O)Nc2sccc2C#N)cs1 263671064 MGZPOFNGQPQJJR-UHFFFAOYSA-N 291.401 3.626 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1c1ccc(C#N)cn1 420640502 MWIQDHMIFHQAJN-MRXNPFEDSA-N 277.371 3.726 30 20 CHED C=CCCCC(=O)N(C)C/C(C)=C/c1ccccc1 427224997 NFMXDLBNAOMKNS-FYWRMAATSA-N 257.377 3.905 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)s1 134508407 ZORSRRDXFUGQOB-HNQUOIGGSA-N 293.269 3.933 30 20 CHED CC(C)(C#N)CCSCc1cccc(F)c1C#N 427666408 RUTLROHAUDGNOA-UHFFFAOYSA-N 262.353 3.870 30 20 CHED COc1ccc(CSCCC#N)c(Br)c1 421840625 ITFOLGCCWMIYRX-UHFFFAOYSA-N 286.194 3.605 30 20 CHED CCCN(CCc1cccc(F)c1)C(=O)[C@](C)(C#N)CC 512575065 VPGCDTXWUFWEGQ-KRWDZBQOSA-N 290.382 3.547 30 20 CHED N#Cc1ccccc1NCc1cc(Cl)ccc1F 83442269 WYMIVKRXCVQUBB-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#CCCC[S@](=O)Cc1csc(C2CCCCC2)n1 190769162 JPCYYYYPKIJMPN-IBGZPJMESA-N 296.461 3.743 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@H](C)c1ccc(Cl)s1 330479715 MKXSUDBUYJOOFG-QMTHXVAHSA-N 298.839 3.950 30 20 CHED N#Cc1cccc(Cl)c1NCc1noc2ccccc12 516360107 XERCULKMLTVWHA-UHFFFAOYSA-N 283.718 3.965 30 20 CHED CSc1ccccc1[C@@H](C)NC(=O)c1cccc(C#N)c1 337160799 SYYJFMNUTWKIQW-GFCCVEGCSA-N 296.395 3.771 30 20 CHED C=C(CNC(=O)N1c2ccccc2C[C@H]1C)c1ccccc1 512661168 QFWLUAFNQIRGII-OAHLLOKOSA-N 292.382 3.861 30 20 CHED N#Cc1ccc(/C=C/c2cnc(C3CCC3)s2)nc1 336328100 NUAFNXAXLNYXPO-VOTSOKGWSA-N 267.357 3.848 30 20 CHED COc1cc(C)ccc1OCc1cccc(F)c1C#N 427555635 LKWFXLVAVNWHJZ-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CC(=O)Nc1cccc(NC2CCC(C)(C#N)CC2)c1 336215809 RYWPVEAKKUGJHO-UHFFFAOYSA-N 271.364 3.529 30 20 CHED CCC1(CN/C(O)=N/Cc2ncccc2C)CCCCC1 330874260 IIIXWAKLKQWDBN-UHFFFAOYSA-N 289.423 3.754 30 20 CHED N#Cc1ccc(NCc2ccc(-c3ccccc3)o2)cn1 337665277 LLPSPFDKEASKTF-UHFFFAOYSA-N 275.311 3.825 30 20 CHED CN(CC(C)(C)C#N)[C@H]1CCCc2ccc(F)cc21 433291596 WPBVGUNEWNUXQE-HNNXBMFYSA-N 260.356 3.685 30 20 CHED N#Cc1cccc(NCc2c[nH]nc2-c2ccsc2)c1 432426176 YYGUUPJKQSADDC-UHFFFAOYSA-N 280.356 3.622 30 20 CHED C=CC[C@@H]1N(C(=O)NCc2ccco2)CCCC1(C)C 435679816 ALFYYVVQPHMBQZ-AWEZNQCLSA-N 276.380 3.556 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CCc2c(F)cccc21 436313986 QFLSIJJQLCUHRA-INIZCTEOSA-N 277.302 3.668 30 20 CHED C[C@@H](C(=O)Nc1ccccc1C#N)c1ccc(F)c(F)c1 336446214 PMQLWHQZCMFSIS-SNVBAGLBSA-N 286.281 3.579 30 20 CHED O/C(=N/C[C@H]1CCCCO1)Nc1ccc(C2CCC2)cc1 330227178 UVCCXXZJVHXRHZ-MRXNPFEDSA-N 288.391 3.849 30 20 CHED N#Cc1cc(F)c(NCC2(c3ccccn3)CCC2)c(F)c1 343926245 OZHCKFZADAYUHR-UHFFFAOYSA-N 299.324 3.765 30 20 CHED CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(C#N)c1 340344176 YLOGPPUFUGKRGU-CYBMUJFWSA-N 296.374 3.614 30 20 CHED N#Cc1cccc(NC(=O)N[C@H]2CSc3ccccc32)c1 344514630 PBAWSSSCHQHUKW-AWEZNQCLSA-N 295.367 3.527 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 347066667 KKUITOFDBRSITK-RISCZKNCSA-N 276.355 3.579 30 20 CHED C[C@@H](C#N)C(=O)Nc1c(F)cccc1Oc1ccccc1 345512435 UVACDPAZJIFEAH-NSHDSACASA-N 284.290 3.716 30 20 CHED C[C@H]1c2ccccc2CCN1c1nccc(C#N)c1Cl 342852315 QPWJBQWBNHRSQR-NSHDSACASA-N 283.762 3.730 30 20 CHED C[C@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@H]1c1ccccc1 248802378 AHRXFFJKCIJCTJ-HNAYVOBHSA-N 293.414 3.522 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(C(F)(F)F)cn1 340608341 UCPIOBSCOJXHDE-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=CCNC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 342693452 AYKNRTBCTQYJQT-MRXNPFEDSA-N 272.392 3.673 30 20 CHED Cc1cc(Cl)cc(NC(=O)c2ccc(C#N)s2)c1O 340328339 TZPIORZSRDEBJB-UHFFFAOYSA-N 292.747 3.540 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)cc1 607554686 OZAXDIIANGEHRW-GJZGRUSLSA-N 287.403 3.902 30 20 CHED CCC[C@H](C#N)NC(=O)c1cccc(Nc2ccccc2)c1 609822161 WETJBNBVWGCQLA-QGZVFWFLSA-N 293.370 3.852 30 20 CHED CC(C)(C)c1noc(-c2cc3ccccc3n2CC#N)n1 609474613 FQCCCRPHOSRYMO-UHFFFAOYSA-N 280.331 3.512 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccc(Cl)nc1 255727187 WFZALUAFABDEJU-DJWKRKHSSA-N 279.673 3.909 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)c1cccc(C#N)n1 609893467 NPKULOOCBCYKJG-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 343845857 XTFVOGNZTIOOHB-JTQLQIEISA-N 287.281 3.625 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2cc3ccccc3o2)C1 609737076 ZAPSPUNCZRXMDA-SCLBCKFNSA-N 296.370 3.564 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CSc3ccccc32)n1 346854009 TWCVACDXJRNUJN-CYBMUJFWSA-N 267.357 3.521 30 20 CHED C=CCC(C)(C)CN[C@H]1CCCc2scnc21 623989015 FNRVZAFNPQPPST-NSHDSACASA-N 250.411 3.712 30 20 CHED C=CC1CCN(C(=O)NCc2c(C)cc(C)cc2C)CC1 600862690 YLCBAGODGVRUJH-UHFFFAOYSA-N 286.419 3.719 30 20 CHED CSC[C@@H](C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 609427962 PEARXBQOIIJRQI-CYBMUJFWSA-N 290.432 3.546 30 20 CHED C=CCCN(C)C(=O)c1ccccc1C(=O)c1cccs1 346817771 FWWCYESXWQCEOB-UHFFFAOYSA-N 299.395 3.627 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)s1 602508121 SJFZWKIGZZVYTO-LLVKDONJSA-N 298.839 3.590 30 20 CHED CCO[C@@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C 348408848 QTDWLWDMGCZITE-AWEZNQCLSA-N 294.782 3.601 30 20 CHED N#Cc1ccc(S[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 600520284 IIYAEUUPLQQVQX-IAGOWNOFSA-N 296.395 3.966 30 20 CHED CC(C)(C#N)CCN1CCC(c2ncccc2Cl)CC1 347125286 JLAJMFLBIYDITF-UHFFFAOYSA-N 291.826 3.854 30 20 CHED CC(C)N(Cc1cccc(C#N)c1)Cc1ccco1 299400486 VQSOCYRKERSYIX-UHFFFAOYSA-N 254.333 3.562 30 20 CHED Cc1ccc2[nH]c(C(=O)Nc3cccc(C#N)c3)cc2c1C 609729665 ROUGIQYOFJWRQD-UHFFFAOYSA-N 289.338 3.909 30 20 CHED N#CCOc1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 252454585 HFOVQAHRYYLVKG-RGQASFKMSA-N 282.387 3.826 30 20 CHED C=C(C)CCNCc1ccccc1OCc1cccnc1 449476094 MIOXLNHRFMSUAJ-UHFFFAOYSA-N 282.387 3.716 30 20 CHED C[C@@H](CCC#N)CNCCc1csc(C(C)(C)C)n1 602579812 KNVXMNLOPBFLPI-LBPRGKRZSA-N 279.453 3.513 30 20 CHED C=CCCCN1Cc2ccc(OC)cc2C2(CC2)C1 352441333 WJBDSDTVOCCBSG-UHFFFAOYSA-N 257.377 3.509 30 20 CHED C[C@@H](CCc1c[nH]c2ccccc12)NCC(C)(C)C#N 602616267 TWKWYHUQYLXKOB-ZDUSSCGKSA-N 269.392 3.628 30 20 CHED Fc1ccccc1C=NNc1nc2ccccc2s1 252630041 UTFIVVSLQRQDGE-UHFFFAOYSA-N 271.320 3.881 30 20 CHED C=C(C)CN(CCc1ccc(C)cc1)CC(F)(F)F 441364387 YYFPAIWFBJNEPM-UHFFFAOYSA-N 271.326 3.978 30 20 CHED CCC(CC)N(C(=O)c1ccc(CC#N)cc1)C1CC1 536207033 HQHLEDMDKLMXFI-UHFFFAOYSA-N 270.376 3.546 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 449116881 RTJKSQXSVIPPLZ-JYJNAYRXSA-N 280.456 3.500 30 20 CHED Cc1nc2cccc(-c3noc(CCCCCC#N)n3)c2[nH]1 350323702 BQQUFCHLAVSROB-UHFFFAOYSA-N 295.346 3.548 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1cccc(Cl)c1Cl 604897260 PBOMTRRMOOUWQB-SECBINFHSA-N 287.190 3.757 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCCc3ccccc32)CC1 353310253 YAWFKWGEPMQASV-MRXNPFEDSA-N 269.388 3.927 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCC[C@@](C)(C#N)C1 612488726 XLVTUBVGMMQWKO-BBRMVZONSA-N 264.413 3.601 30 20 CHED N#Cc1cccc(NC(=O)NC(C2CCC2)C2CCC2)c1 353321418 QCYKXWMQZHSKFK-UHFFFAOYSA-N 283.375 3.649 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(C(=O)O)c1 263489413 QNRWGYWNBXLECX-UHFFFAOYSA-N 288.391 3.537 30 20 CHED CCOc1cccc(CN(CCC#N)CC(CC)CC)n1 353422912 PVLWBLQYHNXNNA-UHFFFAOYSA-N 289.423 3.632 30 20 CHED C=CCCCSCc1cccc(C(=O)OC)c1C#N 535892535 NVXOXOOKAPYQHF-UHFFFAOYSA-N 275.373 3.544 30 20 CHED C=CCCC(=O)Nc1ccccc1OCC(F)(F)F 263663988 KRHSVNLVCMGDDY-UHFFFAOYSA-N 273.254 3.532 30 20 CHED C=CCOc1ccc(-c2nc([C@H]3CCCS3)no2)cc1 357075630 NUKMTBWTGFXHHS-CYBMUJFWSA-N 288.372 3.870 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(Cl)cc1Cl 359382285 DEZANWLMFSCXSO-UHFFFAOYSA-N 283.158 3.535 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](CC)Nc1ccccc1 539523111 RTEKUXQXDXVJER-HOCLYGCPSA-N 274.408 3.738 30 20 CHED C=CCC[C@@H](O)CN[C@@H](CC)C(C)(C)c1ccccc1 537223791 HSDIEQZVBFPVCY-SJORKVTESA-N 275.436 3.660 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 444023312 PHPPNHKXDRQBJN-RBSFLKMASA-N 293.455 3.782 30 20 CHED CCSCc1ccc(NCc2cc(C#N)n(C)c2)cc1 449598073 HHGJPXNCJTXCRU-UHFFFAOYSA-N 285.416 3.762 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H]1CC 448819010 RRVXYAQFANSIQB-ZWKOTPCHSA-N 296.414 3.899 30 20 CHED C=CCNC1(c2cccc(C(F)(F)F)c2)CCC1 537154540 RTVPUCRCORNZRX-UHFFFAOYSA-N 255.283 3.860 30 20 CHED CCCCCn1cc(CN[C@H]2CCC[C@H](C#N)C2)c(C)n1 447589317 XMORZFFEJIGKQV-RDJZCZTQSA-N 288.439 3.554 30 20 CHED C=C(CC)CSCC(=O)N(C)[C@H](C)c1ccccc1 539095707 SUVDGHOYJILBMF-CQSZACIVSA-N 277.433 3.905 30 20 CHED N#C[C@H]1CC[C@H](NCCOc2cccc3ccccc23)C1 442787552 WYOJNRBOBNESBT-HOCLYGCPSA-N 280.371 3.500 30 20 CHED CC[C@@H](CC#N)NC(=O)CSc1ccc(C(C)C)cc1 358059060 CXQXREREIRUGCM-AWEZNQCLSA-N 290.432 3.711 30 20 CHED CCSc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 611389642 NQJRJEZIIZEJCE-CYBMUJFWSA-N 297.427 3.916 30 20 CHED Cc1ccc(CCCNc2cccc(C#N)c2C)cn1 619428542 CJLYBNOCBVTJCL-UHFFFAOYSA-N 265.360 3.615 30 20 CHED Cc1cc(C#N)ccc1CNC(C)(C)c1cccs1 614406070 QQXJYLPRAVQLPK-UHFFFAOYSA-N 270.401 3.953 30 20 CHED Cc1cc(C)c2oc(=NCC(C)(C)CCC#N)[nH]c2c1 450526609 GNGLHKDSIDWOKH-UHFFFAOYSA-N 271.364 3.608 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 456305316 HWUVJVVVYWNYJR-FUHWJXTLSA-N 286.419 3.776 30 20 CHED C=CCCSCc1ccc(C#N)cc1OC(F)F 530756195 IKSLQOWGRLIUNX-UHFFFAOYSA-N 269.316 3.969 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@H]1c1ccccc1 537189148 GZQVARHMYMHHMD-ZBFHGGJFSA-N 272.392 3.888 30 20 CHED CC(C)c1ccc(C(C)(C)NC(=O)c2c[nH]c(C#N)c2)cc1 611472038 LMPHXCCHBPLTOP-UHFFFAOYSA-N 295.386 3.675 30 20 CHED C=CCC[C@H](C(=O)NCc1cnccc1C)c1ccccc1 456198168 UGBQRUWLSRMPNU-SFHVURJKSA-N 294.398 3.756 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H](C)C1CCCC1 610521443 OKZMABHPBKZWJQ-AWEZNQCLSA-N 278.440 3.991 30 20 CHED COc1cccc([C@H]2C[C@H](N(C)CCC(C)(C)C#N)C2)c1 452024561 YMEUMYNQIPWHJQ-WKILWMFISA-N 286.419 3.813 30 20 CHED CC(C)(C(=O)NCc1ccc(C#N)c(F)c1)C1CCCC1 456829676 FGMIKVAKMVDCBI-UHFFFAOYSA-N 288.366 3.530 30 20 CHED C=CC(C)(C)CNC(=O)c1c[nH]cc1-c1ccc(C)s1 452777071 UAXJGFDQKUZKRY-UHFFFAOYSA-N 288.416 3.994 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)CCCC(F)(F)F 546179154 SOVXQRTWRVFLSW-QWRGUYRKSA-N 280.334 3.761 30 20 CHED N#CC1(C(=O)Oc2ccc3cccnc3c2)CCCCC1 279419959 KNUZFWXHMGTWCK-UHFFFAOYSA-N 280.327 3.614 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccccn2)CCCC1(C)C 277529226 DIUYPDHJBGDCTO-ZDUSSCGKSA-N 273.380 3.680 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)CCCc1cccnc1 459647377 JXMGZNIZZIGZFC-XHSDSOJGSA-N 260.425 3.983 30 20 CHED C=C(C)CCNC(=O)CCc1ccc(-c2ccccc2)[nH]1 452727721 ZTOPWNFFNZLTIK-UHFFFAOYSA-N 282.387 3.697 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(Br)c1F 622951207 AJZJCJDHVAJXMB-UHFFFAOYSA-N 286.144 3.739 30 20 CHED C[C@H](CCCc1cccnc1)NCC(C)(C)CCC#N 453220138 JOTCMRQLTHPPNH-OAHLLOKOSA-N 273.424 3.712 30 20 CHED Cc1cc(OCc2nc(-c3ccsc3)no2)ccc1C#N 366769521 CSUOZNACJRPEOL-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 270346930 GKFAYJAJEMDGBI-KRWDZBQOSA-N 284.403 3.793 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@@H]1N[C@H]1CC[C@@H](CC#N)C1 453289144 IBTAIFOHBUPGMH-WXRXAMBDSA-N 272.367 3.731 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(F)c(SC)c(F)c1 450797286 QKKNOVIVALFCQQ-UHFFFAOYSA-N 271.332 3.837 30 20 CHED C[C@@H](c1noc(Cc2ccc(C#N)cc2)n1)C(C)(C)C 546437611 DMGNNZAUPGMZBV-NSHDSACASA-N 269.348 3.682 30 20 CHED C=CCCCN[C@@H](C)c1ccc(OCC)c(OC)c1 540367702 GSIKLMJABQYLHL-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2C[C@H](c3ccccc3F)C2)C1 370105689 QIXGCGNINAQBEJ-AJNGGQMLSA-N 272.367 3.744 30 20 CHED C[C@H](C(=O)N1C[C@H](C)CCC[C@H]1C)c1cccc(C#N)c1 462135161 GQQWALDPUSIBAT-KFWWJZLASA-N 284.403 3.699 30 20 CHED N#Cc1ccc(NC(=O)Nc2cccc3cc[nH]c23)cc1 547823979 XRQNMDMXJUXYNA-UHFFFAOYSA-N 276.299 3.684 30 20 CHED C=CC[C@@H](CC)NC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 466407430 PJGKAAUCGZXWMW-CPUCHLNUSA-N 278.440 3.951 30 20 CHED C[C@H](Cc1ccsc1)N(CCC#N)CC(C)(C)C 542149704 IPWOPBHKAYIYAH-CYBMUJFWSA-N 264.438 3.941 30 20 CHED C=CCCn1cc(CN[C@H](CC)c2cc(C)ccc2C)nn1 623753464 ZHLRKROZCXCHPK-GOSISDBHSA-N 298.434 3.712 30 20 CHED C=CCCC(=O)Nc1nc2c(s1)CCCC2(C)C 461218716 PRVUOYMEFMRTRK-UHFFFAOYSA-N 264.394 3.662 30 20 CHED N#CCc1ccnc(NC(=O)c2cccc3ccsc23)c1 546639063 KTOFDYBFTZAQTO-UHFFFAOYSA-N 293.351 3.615 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(F)c(C#N)c2)c1 547763294 LUDKBHXTQLDCND-CYBMUJFWSA-N 296.345 3.805 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCC[C@H](SCC)C1 466367221 RFLDZTJQTBKILG-KGLIPLIRSA-N 284.469 3.658 30 20 CHED C=CCOc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 462659484 LOZQUEDCJFNBHK-UHFFFAOYSA-N 285.299 3.739 30 20 CHED C=CCOCCN(C)[C@H](c1ccc(F)cc1)C(C)C 559186612 GKSMIOOLMUDIQY-INIZCTEOSA-N 265.372 3.657 30 20 CHED CC[C@H](CC(=O)Nc1ccc(C#N)c(F)c1)C(C)C 464653376 PYEXWMCZCHAQLU-LLVKDONJSA-N 262.328 3.708 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(CC)C1CCCCC1 460367521 DRCHEOWWGGFJSM-UHFFFAOYSA-N 288.439 3.891 30 20 CHED CCC[C@@H]1CCCCN1C(=O)[C@@H](C)c1cccc(C#N)c1 462592559 NPMWWHAATZWQLO-WMLDXEAASA-N 284.403 3.843 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N(C)c1ccc(C#N)cc1 288544511 LBZPDXSSMWIPBA-UHFFFAOYSA-N 282.343 3.860 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 466402169 RYFVGPJMXFAODX-BHYGNILZSA-N 286.419 3.929 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 466539839 MNHLQCTYJJVXNF-VGWMRTNUSA-N 281.440 3.831 30 20 CHED CCN(CC1CCC(=O)CC1)[C@H](C)c1ccc(C#N)cc1 289251851 BLJJASSHPAIKRN-CQSZACIVSA-N 284.403 3.700 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C(C)(C)C2CC2)cc1 287764696 XSXVOYCUTJOJDM-UHFFFAOYSA-N 270.376 3.862 30 20 CHED CC(C)n1nccc1/C=C1\CSc2ccccc2C1=O 280148517 ZVKIAUQLIZFTMQ-FMIVXFBMSA-N 284.384 3.836 30 20 CHED C=CC1CCN(Cc2ccc(C)cc2-c2ccnn2C)CC1 559068459 ABYFAPOSNGASFV-UHFFFAOYSA-N 295.430 3.794 30 20 CHED C=CCC[C@@H](NCCCc1nccs1)c1ccco1 286220556 SGXBZWOIROGNQQ-CYBMUJFWSA-N 276.405 3.966 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(C2=CCCC2)cc1 290683729 KGKOZRAWYTXEGQ-INIZCTEOSA-N 268.360 3.676 30 20 CHED Cc1cc(C)nc(C(=O)OCC#Cc2ccc(Cl)cc2)c1 801444494 GDGLQZISKAJSIB-UHFFFAOYSA-N 299.757 3.560 30 20 CHED C=CCCCCCCCCNC(=O)N1CC[C@](F)(C#N)C1 806081539 PEVBUXPKJPEQLC-INIZCTEOSA-N 295.402 3.550 30 20 CHED CCCCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[C@@H](C)C1 294439754 ZHUVWFOIAWZGIJ-UKRRQHHQSA-N 287.407 3.707 30 20 CHED C=CCOCCCSCc1ccc(F)cc1F 479587843 WDJVFHSFBXMEIK-UHFFFAOYSA-N 258.333 3.791 30 20 CHED C=C(CNC(=O)c1cc2c(s1)CCC2)c1ccccc1 807799171 DSXLGRLMBNLZIA-UHFFFAOYSA-N 283.396 3.680 30 20 CHED CCC1(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCCC1 471947245 DTNAAVVKYKVVNX-AWEZNQCLSA-N 299.418 3.889 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1oc(C(C)C)nc1C 292395309 XQVGQCRRIWKMNM-UHFFFAOYSA-N 298.386 3.935 30 20 CHED C=CCCC[C@@H](C)NCc1cc(OC)c(OC)cc1F 568030125 JMYMKNKZAGDWCM-GFCCVEGCSA-N 281.371 3.677 30 20 CHED CCc1noc(C)c1[C@@H](C)NCC(C)(C)CCC#N 806178416 TXJGNXQOOPHCSK-LLVKDONJSA-N 263.385 3.526 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NN[C@H]1CCSC1 807999758 AJRKABRHOAVDJO-LBPRGKRZSA-N 298.839 3.558 30 20 CHED Cc1ccc2ncc(C#N)c(NCCCCC#N)c2c1 291972346 PBRUYWWUZBOQCN-UHFFFAOYSA-N 264.332 3.521 30 20 CHED CC(C)COc1ccc(NCCO[C@H](C)C#N)cc1Cl 802741064 SXYNMHVQKMGLDR-GFCCVEGCSA-N 296.798 3.715 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2cc(C#N)ccc2Cl)C1 807930448 JBPPISYPPZQKSU-PWSUYJOCSA-N 277.751 3.947 30 20 CHED C=CCOCCCN1C[C@H](c2ccc(F)cc2)C[C@@H]1C 470790318 RMRQCUSMFYAPED-GOEBONIOSA-N 277.383 3.596 30 20 CHED C#Cc1ccc(CNCc2cn(CCCCC)nc2C)cc1 809630562 XRYIPFIZOIDVEU-UHFFFAOYSA-N 295.430 3.653 30 20 CHED Cc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1C 807991206 SQLQXMRZCPBMSI-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809917741 PPACAUUZHSJSHD-VIFPVBQESA-N 297.742 3.724 30 20 CHED C#CC[C@@H](NCc1cccc(OC)c1F)c1ccccc1 800249922 CKJWEPWOXTZROZ-MRXNPFEDSA-N 283.346 3.689 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H](OCC)C2=CCCC2)n1 563674455 RLHJOFJGYDNGOF-CQSZACIVSA-N 290.407 3.981 30 20 CHED C=C(C)CN(C)C(=O)c1cc(C)c(Cl)cc1C 476561985 OPKFBQSPRRMFNC-UHFFFAOYSA-N 251.757 3.605 30 20 CHED C[C@@H](C#N)OCCOc1cc(C(F)(F)F)ccc1Cl 801656135 VUPPGUVEAZLSPF-QMMMGPOBSA-N 293.672 3.666 30 20 CHED CC#CC(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 801142506 GRMZRHVOSFWHAX-NSHDSACASA-N 283.293 3.638 30 20 CHED C[C@H](CCC#N)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 298605473 SRBHQXZNDINMKW-ONERCXAPSA-N 296.773 3.591 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(Cl)cccc1OC 640722604 PMFXWWPVJLBQSE-UHFFFAOYSA-N 282.771 3.779 30 20 CHED CC[C@@H](NC(=O)CCCCCC#N)c1ccccc1OC 806446132 VHVJEAXBUMFCQV-OAHLLOKOSA-N 288.391 3.737 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1ccsc1C 640464647 IOZZKNOKPOHSCT-UHFFFAOYSA-N 290.388 3.912 30 20 CHED CCC(=NNc1cc(C)ccc1F)c1cccc(N)c1 814872596 RIVQCDUNDAGOFA-UHFFFAOYSA-N 271.339 3.943 30 20 CHED Fc1ccc2c(c1)OCC2=NNc1cccc(Cl)c1 814693705 DMCBXXABTBIGQY-UHFFFAOYSA-N 276.698 3.688 30 20 CHED C=CCC(C)(C)CNC(=O)C1(c2ccc(F)cc2)CCC1 647120980 QIPJOOVRVCCIRV-UHFFFAOYSA-N 289.394 3.966 30 20 CHED C[C@H]1SCCC1=NNc1nccc2sccc12 814808616 CWPVCJGDFURUAN-MRVPVSSYSA-N 263.391 3.590 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](F)C2)cc1Cl 564902524 UGNUKHGGKANBMP-WDEREUQCSA-N 295.745 3.614 30 20 CHED CC(=NOC1CCC1)c1cc(Cl)c(N)c(Cl)c1 812235400 FXZSBYREWFIGHU-UHFFFAOYSA-N 273.163 3.869 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccncc1 815622809 GCOHWMPDPICIEB-MMADZMRASA-N 284.403 3.641 30 20 CHED Nc1ccc2c(c1)C(=NNCc1ccc(Cl)cc1)CCC2 814875752 VGGFTIXCIIUZNM-UHFFFAOYSA-N 299.805 3.752 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 815753881 VQUYSMLUNPOXFK-GHMZBOCLSA-N 259.340 3.529 30 20 CHED COCC1(CON=Cc2ccc(Cl)cc2)CCC1 812305197 UXNQLJXGFKQYMJ-UHFFFAOYSA-N 267.756 3.507 30 20 CHED Cc1cccc(CN(C)c2ccc(Cl)c(C#N)n2)c1C 488425454 BEESPWHWAKDXRJ-UHFFFAOYSA-N 285.778 3.860 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1ccc(F)cc1Cl 811658198 DCMOQRSPPDQEBX-JTQLQIEISA-N 286.803 3.546 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)cc1 813300789 MSTRFUXYSMXBJG-SJKOYZFVSA-N 270.376 3.622 30 20 CHED CC(=NNC[C@H]1CCSC1)c1cc2ccc(C)cc2o1 811659964 CQYAXYKKZGKWEO-CYBMUJFWSA-N 288.416 3.808 30 20 CHED C=C(CC)CN1CCO[C@@H](c2ccc(F)cc2Cl)C1 481576731 XEUUNYZUKUFYDQ-OAHLLOKOSA-N 283.774 3.819 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1F)C2 811695342 DJJSKXFWZDPQED-QPEQYQDCSA-N 281.261 3.659 30 20 CHED CCC/C(C)=C\C(=O)N(CCC#N)c1ccc(C)cc1 726940613 ZDSARWIHUHUPTL-SQFISAMPSA-N 270.376 3.988 30 20 CHED Cc1ccc(C)c(NN=C2CCc3c(O)cccc32)c1 812435881 YCBDIAFNIFKOEV-UHFFFAOYSA-N 266.344 3.771 30 20 CHED CC[C@@H](CC#N)Nc1cc(Br)c(C#N)cc1F 575331194 LGJRWNPIIFSDRH-VIFPVBQESA-N 296.143 3.564 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(C#N)c2ccccc2n1 573910275 WHRJASGLQDEJCE-CHWSQXEVSA-N 293.370 3.871 30 20 CHED C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 728713193 TUEHEAKFIMARLV-HGIHFSPSSA-N 298.430 3.892 30 20 CHED CC(C)[C@@H](NCc1ccc(C#N)cn1)c1ccc(F)cc1 574336289 NBBOSEGTKOKLKP-QGZVFWFLSA-N 283.350 3.579 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H]2CCC[C@H](C)C2)c1 728481711 RLZHCJVHECBRNX-HOCLYGCPSA-N 269.388 3.847 30 20 CHED CCc1ccc(C#CC(=O)N[C@H](C)c2ccsc2)cc1 816589279 RHFQTTFLSLDMGL-CYBMUJFWSA-N 283.396 3.539 30 20 CHED C=CCC1(NCc2cc(C)sc2C)CCOCC1 657633146 IQCDGNQNWGFMLQ-UHFFFAOYSA-N 265.422 3.580 30 20 CHED Cc1cccc(CC(=O)Nc2ccccc2CC#N)c1Cl 578229565 YUYPYPBLYDGJCG-UHFFFAOYSA-N 298.773 3.896 30 20 CHED N#Cc1ccc(CN(C/C=C/c2ccncc2)C2CC2)cc1 495079206 NBMHDAUKJIMLMD-OWOJBTEDSA-N 289.382 3.631 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H](CC)C(C)C 490210942 DNAJWIKXUYOVSL-OAHLLOKOSA-N 277.408 3.909 30 20 CHED Cc1ccc([C@H]2CCCCCN2C(=O)C#CC(C)C)o1 828405128 VSGNCYMLOZKUMN-OAHLLOKOSA-N 273.376 3.691 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)COC 664322008 ZENKSIWAYAEVND-GFCCVEGCSA-N 296.798 3.703 30 20 CHED C=CCCC(=O)O[C@H](C)C(=O)Nc1ccccc1C(C)C 726654377 BOLNSHBPFYYRGF-CYBMUJFWSA-N 289.375 3.646 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc(OC)c1O)c1ccccc1 494121271 XEDUARGKDOMURN-ZDUSSCGKSA-N 297.354 3.699 30 20 CHED C=CCN(Cc1cc(C)nc2ccccc12)[C@H](C)COC 661243636 LIDXPBBCMFNIMY-OAHLLOKOSA-N 284.403 3.566 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cccnc1Cl)C2=O 728697612 TVKRKPIUGMIBSD-MDWZMJQESA-N 269.731 3.866 30 20 CHED C=CCCNC(=O)N(C)Cc1ccc(Cl)cc1Cl 661572553 ROVGDAQFPASNKI-UHFFFAOYSA-N 287.190 3.711 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCCC1CC1 589706556 LDKFBKAWRNMPAZ-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CS[C@@H]1CCCC(=NNc2ccnc(Cl)c2)C1 901263144 SXRCWTFJJGTAKL-LLVKDONJSA-N 269.801 3.809 30 20 CHED N#CCCCCCC(=O)Nc1n[nH]c2c(Cl)cccc12 588660434 WFPUPMGWASEHRI-UHFFFAOYSA-N 290.754 3.629 30 20 CHED C=CCC1(NC(=O)Nc2ccsc2)CCCC1 666316108 WLLUEAWWKVCBAA-UHFFFAOYSA-N 250.367 3.759 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 901081377 HLZVTIFWWIJXPX-GFCCVEGCSA-N 291.366 3.506 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(OCC#N)cc2)CC1 734152532 OIMUMRCGBQIULW-KRWDZBQOSA-N 286.419 3.847 30 20 CHED N#Cc1cc(C(=O)N(C2CCCCC2)C2CC2)ccc1F 585737057 FHLWRTSEXZCKBB-UHFFFAOYSA-N 286.350 3.635 30 20 CHED CSc1ccccc1C(=O)/C=C\c1c(C)noc1C 588617954 HMVQUSNFAXSSDJ-HJWRWDBZSA-N 273.357 3.909 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C2CCC2)C2CC2)C1 661300866 UYCDLQOLOXFEDX-BBRMVZONSA-N 276.424 3.563 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccccc1SC(C)C 491252018 DVHBYFVOEWDVGO-LBPRGKRZSA-N 276.405 3.673 30 20 CHED CC1(C)CCC[C@@H](C(=O)N(O)Cc2ccc(F)cc2)C1 901372286 WBUUXCPBLGOZAD-CYBMUJFWSA-N 279.355 3.760 30 20 CHED CCc1ccc(/C=C2/Oc3cc(O)cc(C)c3C2=O)s1 731156778 LSNCJFNNNVSNEK-RIYZIHGNSA-N 286.352 3.941 30 20 CHED CCSc1ccccc1CSCCO[C@@H](C)C#N 902385500 GUVZDXMCMIZUMH-LBPRGKRZSA-N 281.446 3.960 30 20 CHED C[C@@H]1/C(=C\c2cccs2)C(=O)c2c(O)ccc(F)c21 730586306 DRERAFXZSPYLHA-RYGSOJJJSA-N 274.316 3.976 30 20 CHED CCC(CC)NN=Cc1cc2cccc(OC)c2o1 734366261 KPBAGCKKPKCTDX-UHFFFAOYSA-N 260.337 3.554 30 20 CHED CSc1ccccc1C(=O)N(O)Cc1ccc(F)cc1 901375875 MMNHOFVKWIIQNW-UHFFFAOYSA-N 291.347 3.579 30 20 CHED CCc1c(C(=O)O[C@H](CC)CC#N)oc2ccccc12 835339518 FLPHACULNHOONS-LLVKDONJSA-N 271.316 3.844 30 20 CHED CC(C)(C)C#CC(=O)NCc1cccc2ccccc12 837331246 KYNQOWCIUFEBKE-UHFFFAOYSA-N 265.356 3.506 30 20 CHED CC1(C)CCC(=NNc2ccc(C(=O)O)c(F)c2)C1 835010167 RFPZTDWATCRRSN-UHFFFAOYSA-N 264.300 3.502 30 20 CHED C=C(CC)COC(=O)c1c(Cl)cncc1Cl 837750689 MKCKTBTVTWJEJO-UHFFFAOYSA-N 260.120 3.511 30 20 CHED CC[C@H](NC[C@H](O)c1ccc(C)cc1)c1cccc(C#N)c1 902758959 MAAFWLQCYLXRQK-OALUTQOASA-N 294.398 3.641 30 20 CHED CC[C@@H](N[C@H](C)c1ccc[nH]1)c1cccc(C#N)c1 902889227 FBIZCFLJPWNJLO-IUODEOHRSA-N 253.349 3.688 30 20 CHED C=C(C)CN(C)C(=O)/C=C(/C)c1ccccc1Cl 588395269 QOSHPDVWARNRRU-XFXZXTDPSA-N 263.768 3.778 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1C(C)(F)F)C(C)C 836727535 NQAWPOXWLPXJRI-GFCCVEGCSA-N 280.318 3.578 30 20 CHED CC(C)CCCOC(=O)CSCc1ccc(C#N)cc1 918495954 QVXJDVUYUPSITH-UHFFFAOYSA-N 291.416 3.771 30 20 CHED Cc1ccsc1C(=O)/C=C1\COc2ccc(F)cc21 733748627 FDSQOGAOVQIVJC-UXBLZVDNSA-N 274.316 3.854 30 20 CHED CC(C)(C)C#CC(=O)N[C@H](CC(C)(C)C)C(F)(F)F 837515926 CVPMIRUBQRAPAO-SNVBAGLBSA-N 277.330 3.519 30 20 CHED C#CCCCCC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 838131335 YXDURMKKFLJNCV-KRWDZBQOSA-N 275.436 3.997 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 839892758 ZWSUPLWCYMNQGU-GHMZBOCLSA-N 259.340 3.529 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915087633 WEXASDZQFNHPLV-JEBQAFNWSA-N 290.366 3.937 30 20 CHED C#CCOc1cccc(NC(=O)c2cc3occc3s2)c1 736014995 CFRRBNFNMJTWOO-UHFFFAOYSA-N 297.335 3.759 30 20 CHED C=CCN(CC=C)c1ccc(C(F)(F)F)c(Cl)n1 913407837 IPWXRUCSSQRYDG-UHFFFAOYSA-N 276.689 3.932 30 20 CHED N#CCCCCCC(=O)N1CCSC12CCCCC2 594356392 PVJUHBGUEIOWSD-UHFFFAOYSA-N 280.437 3.696 30 20 CHED CCS[C@@H]1CCCC[C@H]1N[C@@H](C#N)c1ccccc1 595449692 PMAKKXRHZYURRZ-OWCLPIDISA-N 274.433 3.905 30 20 CHED CCOc1ccc(C(=O)/C=C\c2conc2CC)cc1 834404987 OUUZBTOKPPGKOH-YFHOEESVSA-N 271.316 3.532 30 20 CHED CCc1nocc1CSCc1ccc(C#N)c(C)c1 594569676 IFYSXPBRHFZQAU-UHFFFAOYSA-N 272.373 3.851 30 20 CHED C=C(C)[C@@H](CC(=O)N(C1CCCCC1)C1CC1)OCC 677302155 KDSZRYNWHABMTF-MRXNPFEDSA-N 279.424 3.681 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(F)cc1F 742376401 ROWZLNXQTRYZCF-UHFFFAOYSA-N 291.272 3.728 30 20 CHED CCOC1(CN[C@H]2CCCc3cc(C#N)ccc32)CCCC1 590260917 XFNQCUGNVDHGMT-SFHVURJKSA-N 298.430 3.875 30 20 CHED COc1ccc(C(C)=NNc2nc3ccccc3[nH]2)cc1F 917567746 CXUIYUJWFUNPDF-UHFFFAOYSA-N 298.321 3.547 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)c2ccc(C)o2)s1 744363229 RCGCJWDQAJVVGP-JTQLQIEISA-N 288.372 3.826 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C1CCCC1 671724397 NLUDSFMKUIAPRQ-UHFFFAOYSA-N 261.413 3.785 30 20 CHED CCCC[C@H](C(=O)N(CCC#N)C(C)C)C(C)C 598895931 AZXMHJJFDBTMAX-AWEZNQCLSA-N 252.402 3.599 30 20 CHED C[C@H]1Cc2ccccc2[C@@H]1NCCc1ccc(C#N)cc1 595055749 IOJBUJMXHNWSBU-IFXJQAMLSA-N 276.383 3.624 30 20 CHED C=CCCC[C@@H](N)C(=O)Nc1ccccc1C(C)(C)C 911646696 VSUIRGSSGXNYHE-CQSZACIVSA-N 274.408 3.606 30 20 CHED N#CC[C@@H]1CCCN(C(=S)Nc2cccc(Cl)c2)C1 849272286 GKDBDCKNSXNPSW-NSHDSACASA-N 293.823 3.662 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H]1CCC[C@H](C)C1 748921394 GOPOFFKUKNVVDW-SWLSCSKDSA-N 271.360 3.736 30 20 CHED CCCCCCCCN(C1CCNCC1)C1CC1 843345450 MBAIUQHJDGXFHF-UHFFFAOYSA-N 252.446 3.563 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)CC2CCCCCC2)n1 598854889 WAAOCIBQCKENKQ-UHFFFAOYSA-N 285.391 3.869 30 20 CHED Cc1cc(CN2CC(Cc3ccsc3)C2)ccc1C#N 598678748 SGEYXCFTBXWNGR-UHFFFAOYSA-N 282.412 3.603 30 20 CHED Cc1ccc(N(C)C(=O)/C=C/c2ccccc2C#N)cc1C 917803965 AXQICDYWNJDTIS-PKNBQFBNSA-N 290.366 3.851 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(CSC)cc1 599296280 UICWCUKBBLJXCS-UHFFFAOYSA-N 276.405 3.818 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 841368708 MRVRJBOHVZGZJY-GOSISDBHSA-N 294.398 3.636 30 20 CHED CCn1cc(C(=O)/C=C\c2cc3cc(F)ccc3o2)cn1 741845118 WBCFKBYOONZWSQ-PLNGDYQASA-N 284.290 3.684 30 20 CHED COc1ccc(O)c(/C=N\Cc2c(F)cccc2Cl)c1 745623951 CXKNAPGQXYARKB-LSCVHKIXSA-N 293.725 3.812 30 20 CHED C[C@H](Cc1ccsc1)NC(=O)CC1(C#N)CCCCC1 596890403 UUAPRGQFJSZUPI-CYBMUJFWSA-N 290.432 3.659 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2CCCOc3ccccc32)c1 749749041 UEQJXQJKIJNIRW-JJBLJPBOSA-N 297.354 3.734 30 20 CHED C=C(C)CCOC(=O)CCCOc1ccc(C)cc1 744307395 UYBQKJWLFZESGR-UHFFFAOYSA-N 262.349 3.663 30 20 CHED COc1ccc([C@H](C)[C@H](C)NCc2ccc(C#N)cc2)cc1 747100111 RLRDECDOBCDNAL-CABCVRRESA-N 294.398 3.849 30 20 CHED COC1(C/N=C\c2c(O)ccc3ccccc23)CCCC1 840704397 AAPFFLYJOODFHE-UNOMPAQXSA-N 283.371 3.924 30 20 CHED C=C(C)CCc1noc(C2(Cc3ccc(F)cc3)CC2)n1 685384970 MTFKNVHVVZALPB-UHFFFAOYSA-N 286.350 3.992 30 20 CHED CC[C@H](O)CNN=C1CCC[C@H](c2cccc(Cl)c2)C1 841639753 UVSHAHGBQZPPBA-BBRMVZONSA-N 294.826 3.714 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCC[C@H](N(C)C)C1 749456372 YRBYEXXEDQCSOP-CVEARBPZSA-N 282.472 3.726 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1[C@@H](C)c1ccccc1 928384633 LLBKNOVYFQOBIV-FUHWJXTLSA-N 283.415 3.975 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(OC)cc1Cl 683788989 YALAXHSHWHZDBB-NSHDSACASA-N 279.767 3.529 30 20 CHED COc1cc(CCN[C@@H](C)CC(C)(C)C#N)ccc1Cl 926490110 JQJYMOGOVILMLS-LBPRGKRZSA-N 294.826 3.809 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1cccc(Br)c1 758891329 RZYGRQGHBNRLGP-NSHDSACASA-N 295.176 3.857 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(C)cn1 851141783 DBYJPLMEQUSMDX-HIFRSBDPSA-N 259.349 3.682 30 20 CHED Cc1ccc(C(=O)OCc2cc(F)ccc2C#N)c(F)c1 759360092 NJMHXABYYCZEDY-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=CCCCCCCNC(=O)N1CCC(CCOC)CC1 858456382 GGKWYEPNMXKKOX-UHFFFAOYSA-N 296.455 3.581 30 20 CHED CCCCCCCC[S@@](=O)Cc1ccnc(OC)c1 857216894 GEQQRHXWBROLHN-LJQANCHMSA-N 283.437 3.699 30 20 CHED CC(CC1CCC1)=NNCc1cc(F)ccc1F 758373726 ZZCKBBDMBJQWPB-UHFFFAOYSA-N 252.308 3.621 30 20 CHED COc1cc(C=NNc2cc(C)ccn2)ccc1OC(C)C 755907407 ZCLGSRCEYUUSEY-UHFFFAOYSA-N 299.374 3.632 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 929570724 TZUNABFIFRZBPO-CHWSQXEVSA-N 263.356 3.947 30 20 CHED C/C(=C\C(=O)N(C1CC1)C1(C#N)CCC1)c1cccs1 857610997 GCLILJKHOFNXCY-ZRDIBKRKSA-N 286.400 3.589 30 20 CHED Fc1c(F)c(F)c(C=NOCC2CCC2)c(F)c1F 753821760 MEQRWDITBSJAQX-UHFFFAOYSA-N 279.208 3.533 30 20 CHED CC(C)[C@H](N[C@@H](C#N)c1ccccc1)[C@H](O)c1ccccc1 852034444 GTLJPYMFRUDHRA-GBESFXJTSA-N 294.398 3.599 30 20 CHED Cc1ccccc1SC[C@@H](C)COC(=O)CCCC#N 859700825 LFTXOVGOYHVPOZ-ZDUSSCGKSA-N 291.416 3.960 30 20 CHED C=CCC1(NC(=O)C[C@@]2(C)CC2(Cl)Cl)CCCC1 855928717 WKWOMKDBSQYAOU-LBPRGKRZSA-N 290.234 3.966 30 20 CHED C[C@@H](CCC#N)N[C@@H]1CC2(CCC2)Oc2ccccc21 932214893 SCFYLLSGLNBQCQ-DZGCQCFKSA-N 270.376 3.715 30 20 CHED CCN(C(=O)/C=C1/CC[C@H](C)C1)c1ccc(C#N)cc1 753178296 PJIOMMNHFGRWGK-WZMONFQBSA-N 268.360 3.658 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(=O)[nH]ccc2c1 855454090 PSCYWTKRIDWCQI-UHFFFAOYSA-N 286.375 3.827 30 20 CHED N#C[C@H](C(=O)CCCF)c1nc(-c2ccccc2)cs1 850766962 YRLJMLWFMLWVMN-GFCCVEGCSA-N 288.347 3.736 30 20 CHED COCC1(C)CCN(CCCCC2(C#N)CCC2)CC1 930178994 DTRDGIPBSDDNBB-UHFFFAOYSA-N 278.440 3.599 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)C1CCC(F)(F)CC1 936002587 OFBJNOOGZOLDFM-NSHDSACASA-N 259.340 3.625 30 20 CHED COc1ccc(NN=C(C)c2ccsc2)c([N+](=O)[O-])c1 767801494 NGGIZGDCLAYOGZ-UHFFFAOYSA-N 291.332 3.501 30 20 CHED C/C=C(/C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 760967092 BDWCPCSCZFCLKI-KSXVILFYSA-N 289.285 3.574 30 20 CHED Cc1ncc(CN2CCC(c3ccc(C#N)cc3)CC2)s1 933608277 XIJGLTWTXVFLFP-UHFFFAOYSA-N 297.427 3.703 30 20 CHED CC#CCNc1cccc(NC(=O)OC(C)(C)C)c1C 863357369 QHYZQCRKQZJONM-UHFFFAOYSA-N 274.364 3.777 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@H]1CCC2(CCCCC2)O1 860198289 QYMSPOJTBGDYIB-CQSZACIVSA-N 293.407 3.741 30 20 CHED C#CCCc1noc(/C=C\c2ccccc2O[C@H](C)CC)n1 762010225 IQEKQXJVVSQPJA-WUFNSSIPSA-N 296.370 3.983 30 20 CHED COCc1ccccc1C(=O)OCCCCC(C)(C)C#N 768563930 SBIXQVSRKWLHKD-UHFFFAOYSA-N 289.375 3.710 30 20 CHED C[C@H](C=NNc1nc2ccccc2[nH]c1=S)CCC#N 863125177 OYCIFJWFONDREY-JTQLQIEISA-N 285.376 3.630 30 20 CHED C#CCN(C(=O)C[C@@H](C)c1ccc(C(C)C)cc1)C1CC1 763800727 ZSAHWWBCDDGTMA-OAHLLOKOSA-N 283.415 3.928 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(C#N)c(C)c1 766490421 IRVHMRHPCHERDO-FNORWQNLSA-N 276.339 3.720 30 20 CHED C#CCCCN(C)CCc1cccc2ccccc12 766895541 LDYVBNSUJMTPOE-UHFFFAOYSA-N 251.373 3.728 30 20 CHED CC(=NNCC(F)(F)F)c1cc2cc(Cl)ccc2o1 769815135 QXZPPWGTCHZQMP-UHFFFAOYSA-N 290.672 3.962 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNc1nccnc1Cl 769586469 PUTCOQLJPOJVJX-VHSXEESVSA-N 266.776 3.744 30 20 CHED N#Cc1ccc(-c2ccn(Cc3cccc(Cl)n3)n2)cc1 760438425 QFEPYICRYLENFL-UHFFFAOYSA-N 294.745 3.518 30 20 CHED CCOc1ccccc1C(=O)O[C@H](C)c1cccc(C#N)c1 764605585 ICSLSTXYDHGROM-CYBMUJFWSA-N 295.338 3.875 30 20 CHED CC(=NN=C1C[C@H](C)c2c(C)cccc21)c1cnccn1 766705595 LMGMIDGUGBGGBM-LBPRGKRZSA-N 278.359 3.506 30 20 CHED C=CCCCCSCCCS(=O)(=O)C(C)(C)C 871704685 ZEULOFCSXHGLCN-UHFFFAOYSA-N 278.483 3.679 30 20 CHED Cc1cc(C(=O)O[C@H](C#N)C2CCCCC2)cc(Cl)n1 778563372 QNYZRQILGDTLFY-CYBMUJFWSA-N 292.766 3.673 30 20 CHED COc1ccc(O)c(C=Nc2cccc(C)c2F)c1 775630417 LBKZEJJBPHSPLN-UHFFFAOYSA-N 259.280 3.599 30 20 CHED C#CCCCCCC(=O)N(CC)Cc1ccccc1C 779816539 LJVBPPPERIKVKV-UHFFFAOYSA-N 271.404 3.927 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1cscc1Cl 771858575 JDQCNBCCIJQCHG-SNAWJCMRSA-N 280.780 3.648 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)[C@H]1CCCOC1 779780988 ALGAQPKGUJVWRG-NSHDSACASA-N 287.281 3.887 30 20 CHED CCC(=NNc1ccc2[nH]ncc2c1)c1ccc(F)cc1 779821089 SGJXIZHEHHTVMK-UHFFFAOYSA-N 282.322 3.928 30 20 CHED N#CC1(COC(=O)CCCCCc2ccc(F)cc2)CC1 778529059 HYJWOPWADBQHFJ-UHFFFAOYSA-N 289.350 3.776 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccc(C#N)s2)C[C@H]1C 770995756 SFWHVHZUSQKYNI-MXWKQRLJSA-N 263.362 3.601 30 20 CHED C#CCCCCCCN[C@@H]1CC[C@H]2SCCS[C@H]12 877129765 PVRAUVJVVXLGPV-RBSFLKMASA-N 283.506 3.539 30 20 CHED CN(C(=O)Cc1ccccc1CC#N)C1CCC(C)(C)CC1 777009429 IOJWRWQLJXEKIS-UHFFFAOYSA-N 298.430 3.722 30 20 CHED C[C@@H]1CC[C@@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 776514804 ALBYRYXTHGGRHA-LALPHHSUSA-N 257.333 3.599 30 20 CHED C#CCCCCCC(=O)N1c2ccccc2C[C@@H]1C 779707632 PJBXDJUHWOEXBM-AWEZNQCLSA-N 255.361 3.548 30 20 CHED Cc1ccc(-c2cc(C(=O)OCCC(C)(C)C#N)on2)cc1 776375736 PQPQGJQWKGHZSP-UHFFFAOYSA-N 298.342 3.747 30 20 CHED CCCCCCCN[C@H](C)c1ccc2c(c1)CC(=O)N2C 775350290 JMYSIVXESXDZJC-CQSZACIVSA-N 288.435 3.827 30 20 CHED C=CCNC(=S)N(CC)C[C@@H](CC)c1ccccc1 774268844 ROJZCCRPBCPUMG-CQSZACIVSA-N 276.449 3.563 30 20 CHED CC(C)Cn1ccc2c(C(=O)O[C@@H](C)CC#N)cccc21 774096218 OIZPAAILPRBWSL-ZDUSSCGKSA-N 284.359 3.756 30 20 CHED C=C1CCC(C(=O)NCc2cc(C(CC)CC)no2)CC1 889223923 PZNMPNHQNNBMIQ-UHFFFAOYSA-N 290.407 3.941 30 20 CHED Cc1cc(SC(C)(C)C)ccc1NC(=O)NCCC#N 785763016 BQBNUCMSTMUCKL-UHFFFAOYSA-N 291.420 3.921 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cc(C(=O)O)cs1 782201542 UKOVQVNNLUZZGT-NSCUHMNNSA-N 278.354 3.712 30 20 CHED CCC(C[C@H](C)CC)=NN[C@@H](CO)c1ccccc1 788470408 XGTDSTLVHHVCGX-CJNGLKHVSA-N 262.397 3.512 30 20 CHED C=C(C)CN1CCC(c2nc3ccccc3o2)CC1 67130557 DKTYNYZFYQOLNP-UHFFFAOYSA-N 256.349 3.583 30 20 CHED Cc1cccnc1C=NNc1nc(-c2ccccc2)cs1 781586368 VAWHIGAEMRJKSV-UHFFFAOYSA-N 294.383 3.960 30 20 CHED Cc1ccc(C)c2c1CCC[C@H]2NCc1ccc(C#N)cn1 783299751 FLLNGPNCFFBLFU-GOSISDBHSA-N 291.398 3.737 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H]1CCC(C)(C)C1 781568153 BZCWYYQYMOLDEM-ZDUSSCGKSA-N 287.359 3.689 30 20 CHED CC(C)(C)CC(=NNc1nc(O)c2ccccc2n1)C1CC1 787164229 XSFJAWRTDNAFAY-UHFFFAOYSA-N 298.390 3.950 30 20 CHED C=C1CCC(C(=O)N2CCO[C@](C)(c3ccccc3)C2)CC1 896974686 HDFRCCBIXDCKRF-IBGZPJMESA-N 299.414 3.507 30 20 CHED O=C1C(=Cc2ccc3cnccc3c2)C(=O)c2ccccc21 782303087 UZMVINJJMFPCJR-UHFFFAOYSA-N 285.302 3.697 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1 781759055 CKJYIIYRNWMAQA-CVEARBPZSA-N 269.388 3.694 30 20 CHED CC(=NNCCc1ccccn1)c1ccc(C(C)C)cc1 789096700 HAWZFVFSOVFZIB-UHFFFAOYSA-N 281.403 3.761 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1ccc2ccccc2n1 793113438 FKHGTJGQYKTPII-ZDUSSCGKSA-N 269.392 3.983 30 20 CHED COc1ccc(C)cc1C=NOCc1ccccc1OC 799119282 KBKCTQVULREOLY-UHFFFAOYSA-N 285.343 3.563 30 20 CHED C#C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(C)C 799041973 IWKDHBXWBPTMMX-AWEZNQCLSA-N 297.320 3.569 30 20 CHED Clc1cccc(NN=C[C@H]2C[C@H]2c2ccccc2)n1 793163565 LRJNDMNSCQYUEA-OLZOCXBDSA-N 271.751 3.936 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 191842657 ASYNEBXDAUZABY-SECBINFHSA-N 250.729 3.586 30 20 CHED C/C(=C\Cl)CSc1ccc(Cl)c(C#N)n1 797829479 LONPBBNMVNKHIO-QPJJXVBHSA-N 259.161 3.841 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC2C(C)(C)C2(C)C)cc1 793374973 PROCNOMRGHLVGF-ZDUSSCGKSA-N 286.419 3.749 30 20 CHED C=CC[C@@H]1N(Cc2cnc(Cl)cn2)CCCC1(C)C 799169003 UFWHHAAGRVSWMO-ZDUSSCGKSA-N 279.815 3.697 30 20 CHED CC(C)(C)CN(CCC#N)C(=S)Nc1ccsc1 790322087 QQPXPBZLDPGLPS-UHFFFAOYSA-N 281.450 3.707 30 20 CHED C#CC[C@@H](NC(=O)N(CC)CC1CCC1)c1ccccc1 793125840 BUMNVKKPHXZRAC-QGZVFWFLSA-N 284.403 3.583 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1cnoc1C 799481897 CXZMFCDRTNHSPH-UHFFFAOYSA-N 284.237 3.805 30 20 CHED N#Cc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 790950699 XRJWIYIBRKMLRX-UHFFFAOYSA-N 292.382 3.637 30 20 CHED Fc1cccc(F)c1NN=C1CCCC12CCOCC2 799882432 QVPIICXMZSSVHQ-UHFFFAOYSA-N 280.318 3.713 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1ccnc(O)c1 790298408 WGNDOKCTUQYWSF-UHFFFAOYSA-N 296.248 3.609 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](c1ccccc1)C1CCC1 791018730 CBGFOBQCKICMAX-SJORKVTESA-N 284.403 3.629 30 20 CHED N#CC[C@@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 595614674 MIGSUYAUOYQHAF-ZDUSSCGKSA-N 289.448 3.926 30 20 CHED C[C@@H]1CC[C@@H](CNCc2ccc(N(C)CCC#N)cc2)C1 793347654 VEACLDMEDJQTLI-NVXWUHKLSA-N 285.435 3.562 30 20 CHED C#Cc1cccc(NC(=O)C2CC(c3ccc(F)cc3)C2)c1 794220817 SANBHOUBMJQFPX-UHFFFAOYSA-N 293.341 3.939 30 20 CHED Clc1cccc(CC=Nn2cnc3ccccc32)c1 794889118 PBGPCTXGZFZRNC-UHFFFAOYSA-N 269.735 3.766 30 20 CHED C=C(Cl)COC(=O)Cc1cccc2ccc(OC)cc12 754306644 QKRTXFFBMDXHPF-UHFFFAOYSA-N 290.746 3.687 30 20 CHED CCCn1c(-c2ccccc2)nc2cc(C#N)ccc21 86635955 PLMPGWKKOXUOOP-UHFFFAOYSA-N 261.328 3.985 30 20 CHED CCCCCCCCCCC(=O)N1C[C@H](O)C(C)(C)C1 791082315 JGYDPWPDHJGFAE-HNNXBMFYSA-N 283.456 3.747 30 20 CHED N#Cc1ccc(F)cc1COC(=O)CC(C1CC1)C1CC1 1319279994 DLFGGSCYTKWIDD-UHFFFAOYSA-N 287.334 3.567 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)c1csc(C#N)c1 1326488977 NGVRLYGTZCYAEC-CYBMUJFWSA-N 276.405 3.661 30 20 CHED C=CC(C)(C)CNC(=O)/C=C(/C)Cc1ccccc1OC 1325291765 GNKCGVLVZKFATA-OWBHPGMISA-N 287.403 3.512 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 1322165891 RYQVCBYCEMKSSF-CQSZACIVSA-N 294.398 3.533 30 20 CHED C=C[C@@H](COC)NC(=O)[C@@H](CCC)c1ccc(Cl)cc1 1328559882 NKPYHCRZRVHSBS-GJZGRUSLSA-N 295.810 3.541 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(C(C)(C)C)cc1 1320303625 STMSIHKAHIMXLD-XJKSGUPXSA-N 261.409 3.836 30 20 CHED CC1(C)CN(C(=O)C[C@H](CC#N)c2ccccc2)C1(C)C 1324988529 PYPNLQBYZVQSEZ-HNNXBMFYSA-N 284.403 3.721 30 20 CHED C=C[C@](C)(CC)c1nnc(CCc2ccccc2)o1 1327039912 RHQPQDOGFARHJP-MRXNPFEDSA-N 256.349 3.709 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CCC(C)(C)C1 1180739832 HUWBUYRFVBSUAP-ZDUSSCGKSA-N 258.365 3.948 30 20 CHED CC[C@@H](Nc1cccc(CC#N)n1)c1ccc(OC)cc1 1253072012 ULGQOYSTBLMOJB-MRXNPFEDSA-N 281.359 3.719 30 20 CHED N#CCOc1ccc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)cc1 1331181964 IANURIKWGWHCAN-FVQHAEBGSA-N 298.386 3.744 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1ccc(F)cc1 1336759673 NXVUUIPSDNEXLJ-MRXNPFEDSA-N 275.367 3.716 30 20 CHED C=CCn1c(C(F)F)nnc1N1C[C@H](C)c2ccccc21 1340547488 NTLVYEVDXLDNDK-JTQLQIEISA-N 290.317 3.657 30 20 CHED CSc1cc(C)c(C(=O)Nc2cc(C#N)ccc2C)o1 1265678442 OOMNTJCFFSLXCC-UHFFFAOYSA-N 286.356 3.742 30 20 CHED C[C@@H]1CCc2sc(-c3nnc(CCCC#N)o3)cc2C1 1261574461 ZKFPXQHJRNEBQA-SNVBAGLBSA-N 287.388 3.769 30 20 CHED CCn1cc(Cl)cc1C(=O)Nc1cccc(C#N)c1C 1265977677 JHSHJWZQLLERCS-UHFFFAOYSA-N 287.750 3.594 30 20 CHED C=C(C)CCC(=O)N(CC(F)(F)F)[C@@H](C)C(C)C 1348974410 KRAMJZNXLSLSNM-NSHDSACASA-N 265.319 3.778 30 20 CHED N#Cc1ccccc1N(C(=O)c1cccc(F)c1)C1CCC1 1437662993 YDFAFSJVERAGJQ-UHFFFAOYSA-N 294.329 3.897 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CSc1ccc(Cl)cc1 1289299848 XCHOWEIUXHPJAI-GFCCVEGCSA-N 296.823 3.583 30 20 CHED CC(C)(C#N)CC(=O)O[C@H](c1ccccc1)C(F)(F)F 1518691855 IJARAVSEAQKSJK-GFCCVEGCSA-N 285.265 3.773 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 1293055842 MKJWKAXKNURFJP-NSHDSACASA-N 299.305 3.501 30 20 CHED CCC(C)(C)Cn1c(C(C)C)nnc1N(C)[C@@H](C)CC#N 1291348169 BYDXNURYSQRLAR-ZDUSSCGKSA-N 291.443 3.576 30 20 CHED N#Cc1cc(NC(=O)[C@H]2C[C@@H]2F)ccc1Oc1ccccc1 1529906444 CTNARNMGCQVEEP-GJZGRUSLSA-N 296.301 3.647 30 20 CHED Cc1cccc(C#N)c1SCc1cc(C(=O)O)cs1 1600511078 QXWREGWJIVVSJQ-UHFFFAOYSA-N 289.381 3.919 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cc(C(=O)O)ccc1Cl 1607899629 ZZWGEDCATSMDEN-HYXAFXHYSA-N 290.702 3.836 30 20 CHED CCCCc1cc(Sc2ccc(C#N)cc2)ncn1 1611843012 XYDIRZORJSCTFD-UHFFFAOYSA-N 269.373 3.842 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C)c(-n2cccc2)c1 1626863031 UBHSUMZUZQHHLI-MRXNPFEDSA-N 295.386 3.550 30 20 CHED C[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C1CCCCC1 1638626891 XCJFJCNITKZYLZ-SNVBAGLBSA-N 292.329 3.535 30 20 CHED COc1ccc(C[C@H]2CCN2CCCC(C)(C)C#N)cc1 1644771249 CWQIFPQVKMYLNQ-MRXNPFEDSA-N 286.419 3.642 30 20 CHED N#Cc1ccccc1OCc1ccc(F)c(Cl)c1 230400535 OEWFXRWYKLOMER-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#Cc1c(F)cccc1CN1CC(C2CCCCC2)C1 1659981693 RFXMIGXENJKASP-UHFFFAOYSA-N 272.367 3.709 30 20 CHED CC1(C)CN(c2c(C#N)cccc2C#N)c2ccccc21 1655736475 UVHGFGAEDGLENK-UHFFFAOYSA-N 273.339 3.859 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](COC)CC(C)(C)C 1658800111 ZBRVRHOWQCEBTF-AWEZNQCLSA-N 290.407 3.820 30 20 CHED C=CCOc1ccc(CNCc2ncc(CC)s2)cc1 230706388 ZSIZQTBFFWSSBY-UHFFFAOYSA-N 288.416 3.560 30 20 CHED C=C[C@H](Nc1ccc(C)c(Oc2cc(C)ccn2)c1)C(=O)O 1588702024 GOBGXNUQCCQNKT-AWEZNQCLSA-N 298.342 3.542 30 20 CHED C=CCCCCCCCNC(=O)c1cccc(C(=O)O)c1 1588458435 ONYRHZPURQSIJC-UHFFFAOYSA-N 289.375 3.641 30 20 CHED Cc1cc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)ncc1C#N 1586237415 QDLWWICJXDFPPT-NSHDSACASA-N 299.761 3.657 30 20 CHED C[C@@H]1C/C(=C\c2cc(C(=O)O)co2)C(=O)c2ccccc21 1594195997 FNKYGVNWQKPUTI-UEUZTHOGSA-N 282.295 3.751 30 20 CHED COc1cc(C#N)ccc1NCc1cc(F)ccc1Cl 124184286 OMDJRRZQKCAWDX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)NCC(C)(C)C#N 1676378960 VMKGROZRZBEKKY-QLFBSQMISA-N 293.455 3.544 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc(F)c3ccoc23)c1 1776038413 JEOKDFBAHOROED-UHFFFAOYSA-N 298.273 3.716 30 20 CHED C=CCC(C)(C)CN=c1c(C(=O)O)c[nH]c2ccc(C)cc12 1776151487 AFXQTEFLDIRZDC-UHFFFAOYSA-N 298.386 3.678 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)c1ccc(C)cc1 1776073426 URYCEBHPNLUMSE-UHFFFAOYSA-N 286.306 3.668 30 20 CHED CC(C)CNN=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1 1776052823 VNWLQRUMVCNLOT-UHFFFAOYSA-N 296.370 3.631 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2cc(C)cc(C)c2)C1 1776160776 IGVGEZPIVVFOQU-GOSISDBHSA-N 287.403 3.546 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)c1cccnc1 5775846 NKKVRRKNFUAEDW-UHFFFAOYSA-N 280.356 3.651 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(-c2ccc(F)cc2)n1 161967141 LUMUUZGVIKCGSQ-NSHDSACASA-N 289.379 3.683 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1sc(-c2ccccc2)nc1C 162096534 LUFGPWGHJSUMHI-INIZCTEOSA-N 299.399 3.541 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cccc(C)c2)CC1 153046155 DNBBGYFWGZMTAV-MRXNPFEDSA-N 272.436 3.686 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(SC(F)F)cc1 155372430 OZNQXCBMLHKVQJ-SECBINFHSA-N 299.346 3.815 30 20 CHED C=CCN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 154206805 GPFIWGNODUJQIY-GFCCVEGCSA-N 282.387 3.551 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)cc1O 156800054 HHWOCXJHKHTMDG-UHFFFAOYSA-N 261.365 3.519 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3c2OCCO3)cc1C 207255973 MTYUSETZFHZFPB-HJWRWDBZSA-N 294.350 3.971 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccccc1[N+](=O)[O-] 209439501 XZDZXFDVLKQYMT-NTMALXAHSA-N 297.310 3.808 30 20 CHED N#Cc1ccc(OCC(=O)c2ccccc2F)c(Cl)c1 7856282 YVXMAJRUYWZZMX-UHFFFAOYSA-N 289.693 3.612 30 20 CHED C[C@H](CNC1CC(C#N)(c2ccccc2)C1)C(C)(C)C 125264963 GPIVIZCKNVYSMV-MXWWQKGMSA-N 270.420 3.882 30 20 CHED C#Cc1cccc(CN[C@H](C)c2nc(C)sc2C)c1 825226421 GYXACMUWSJEACR-LLVKDONJSA-N 270.401 3.592 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)s2)cc1 14908482 QHCSITYDDPZUBK-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C#CCOc1ccccc1CNCc1ccccc1Cl 20088339 JNUMTDDNMFXQJJ-UHFFFAOYSA-N 285.774 3.642 30 20 CHED CCc1oc2ccccc2c1CNCC(C)(C)C#N 168932632 ASLXIDNTKVZUHM-UHFFFAOYSA-N 256.349 3.635 30 20 CHED CCCC1CCC(NC(=O)C2(C#N)CCCCC2)CC1 44386071 ISPDATOTJNZUAG-UHFFFAOYSA-N 276.424 3.936 30 20 CHED N#CC1(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CCCCC1 44385632 OWXMMZVOZCUKSW-GJZGRUSLSA-N 274.408 3.642 30 20 CHED N#CC1(C(=O)Nc2cccc(Cl)c2F)CCCCC1 44385551 RACUEASBAMHQLN-UHFFFAOYSA-N 280.730 3.892 30 20 CHED C[C@H](Cc1ccc(F)cc1)Nc1cccc(CC#N)c1 313406224 DKCPLIZPXQXATK-CYBMUJFWSA-N 268.335 3.935 30 20 CHED N#Cc1cc(NC(=O)c2cccc(F)c2Cl)ccc1F 79994216 FMXMSTFFKGCQQF-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)C(C)(C)C 434030830 JDOUIZBLLKRZEJ-STQMWFEESA-N 264.413 3.599 30 20 CHED C=CCCSCCN[C@H]1CCc2c(F)cccc21 594713060 SMLDUKPDFIKBTQ-HNNXBMFYSA-N 265.397 3.712 30 20 CHED C=CCCC(C)(C)NCc1ccc([N+](=O)[O-])cc1F 594999431 ROJRQZMYQOZYSS-UHFFFAOYSA-N 266.316 3.568 30 20 CHED CCN(Cc1ccc(CC#N)cc1)C1CCCCC1 398990184 KQLCAYMVDQIYKE-UHFFFAOYSA-N 256.393 3.907 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CC23CCCCC3)cc1F 589800588 XPHKRDPJAGSBKG-CYBMUJFWSA-N 272.323 3.606 30 20 CHED CSc1ccc(COC(=O)c2cccc(C#N)c2)cc1 3559278 CVYQZMJFVFQVRY-UHFFFAOYSA-N 283.352 3.637 30 20 CHED Cc1ccc(NC(=O)CNc2cccc(C#N)c2)c(Cl)c1 4904669 OWQUQGCRSVOHCR-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)c(C)c1 10404139 LPLNCAXHQYGQAA-UHFFFAOYSA-N 278.355 3.746 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ncc(-c2ccccc2)o1 55207115 PLFSZZZVYVCSAS-UHFFFAOYSA-N 298.386 3.699 30 20 CHED N#Cc1ccc(NCCOC2CCCC2)cc1Cl 111728278 QTNBDKJLSNMGLL-UHFFFAOYSA-N 264.756 3.583 30 20 CHED C[C@H](OC(=O)c1sccc1C#N)c1ccccc1F 52222891 ALPAGZBDKSRVQU-VIFPVBQESA-N 275.304 3.677 30 20 CHED C/C(=C\C(=O)O[C@@H](C#N)C1CC1)c1cccc(Cl)c1 176064183 BXBBYJCSQOTZPI-RNVIBTMRSA-N 275.735 3.589 30 20 CHED CSc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 178388465 WGSZPRPRFZRPJU-UHFFFAOYSA-N 282.368 3.841 30 20 CHED Cc1ccccc1CCC(=O)Nc1cc(C#N)ccc1C 51967913 GGPOOWAAEOCKMF-UHFFFAOYSA-N 278.355 3.746 30 20 CHED N#Cc1ccc(CSCCOc2cccc(C#N)c2)cc1 56263081 VIQYZYYXIFCYLH-UHFFFAOYSA-N 294.379 3.742 30 20 CHED C=CC[C@@H](C)NCc1ccccc1OC(F)(F)F 116926513 VUSSAMBEJRMKNB-SNVBAGLBSA-N 259.271 3.639 30 20 CHED CC[C@H](C#N)OC(=O)/C=C(\C)c1ccccc1OC(F)F 175993262 FMSUBNAAKHRKRV-RJCSOLBVSA-N 295.285 3.537 30 20 CHED C=CCCC(=O)Nc1ccc(CN2CCCCCC2)cc1 170682365 NTTLMORPBGKNJT-UHFFFAOYSA-N 286.419 3.967 30 20 CHED C#CCCCNC(=O)N1CCCCC[C@H]1c1ccccc1 173324031 GLEMVXAENCJGLN-KRWDZBQOSA-N 284.403 3.727 30 20 CHED CC(C)Cn1cc(C(=O)N(C)C[C@H](C)C#N)c2ccccc21 68225778 CGTYUJYGQIBVJB-CQSZACIVSA-N 297.402 3.529 30 20 CHED CCC[C@@]1(C)CCCN(c2c(C#N)cccc2C#N)C1 302892922 QBKMROXMVXSXGJ-KRWDZBQOSA-N 267.376 3.837 30 20 CHED N#CCCCCN1CCC[C@H](c2ccccc2)CC1 66897673 XXXSMZDVUHMTGY-KRWDZBQOSA-N 256.393 3.950 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc2c(F)cccc2[nH]1 178770021 VOWQTUWUAHUKEZ-UHFFFAOYSA-N 293.301 3.739 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)C 116935932 WXWSOTSGOYJPSU-UKRRQHHQSA-N 260.381 3.648 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@H]2c2ccccc2)c1 348539310 LUDBIGQQAXOMKX-KRWDZBQOSA-N 266.319 3.644 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2ccc(C#N)cn2)cc1 301435184 HGBZMPKFVDSZSA-UHFFFAOYSA-N 279.387 3.676 30 20 CHED C[C@H]1CC[C@H](C)N1C(=O)Nc1cc(C#N)cn1C(C)(C)C 176691568 WKMGJZOSIKEDAQ-RYUDHWBXSA-N 288.395 3.519 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccc(F)cc1 175315811 IMWOQDRCEJKGOC-LZCJLJQNSA-N 278.229 3.706 30 20 CHED Cc1oc(C)c(C(=O)Nc2cccc(CC#N)c2)c1C 313463529 LDOZJPGDKTXMGR-UHFFFAOYSA-N 268.316 3.523 30 20 CHED C=CCOCCN[C@@H](CC)c1cccc(Cl)c1 305502731 AFSKPHSPJGAQJR-AWEZNQCLSA-N 253.773 3.583 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(c2ccc(C#N)cc2F)C1 302117073 DDBGZGJTUVJUIP-YVEFUNNKSA-N 281.334 3.680 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)c1 182026057 SOBVVKBHXZYSFF-AWEZNQCLSA-N 294.354 3.847 30 20 CHED CSc1ccc(C(=O)/C=C/c2c(Cl)cnn2C)cc1 122644762 HUOVVHMBMBKJGM-BQYQJAHWSA-N 292.791 3.692 30 20 CHED CCCCCCCCN1CCC(CC(=O)N(C)C)CC1 182180879 OGQAXWFRFQSKMH-UHFFFAOYSA-N 282.472 3.537 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1csc(CC)n1 180760579 DQXXDLKZYIYBMY-NEPJUHHUSA-N 295.452 3.811 30 20 CHED CCCc1ccccc1NC(=O)COc1ccc(C#N)cc1 32079163 RPWHMINCEKGMQG-UHFFFAOYSA-N 294.354 3.528 30 20 CHED CC[C@@H](NCc1ccc(F)cc1C#N)c1ccc(OC)cc1 181833627 HVMUNPNEUAVWCW-GOSISDBHSA-N 298.361 3.947 30 20 CHED C[C@@H](C#N)OCCOc1ccc(Cc2ccccc2)cc1 314048036 QLGIRLHIBAKVEC-HNNXBMFYSA-N 281.355 3.585 30 20 CHED C=CCC[C@@H](NC[C@@H](C)Oc1ccccc1OC)C1CC1 121419714 SMTYXENKYGQPNW-GDBMZVCRSA-N 289.419 3.797 30 20 CHED Cc1ccoc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 75434910 IRSOZXIFOCDRHG-UHFFFAOYSA-N 282.343 3.511 30 20 CHED C=CCCCCCn1cc(-c2ccccc2)ncc1=O 419031811 JEWRHPQSHPCYDV-UHFFFAOYSA-N 268.360 3.657 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1cc(F)cc(Cl)c1 153197229 OADZOFHADHJODF-UHFFFAOYSA-N 295.745 3.637 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cn(CC)c2ccccc12 410132786 YEIOISATTSULIB-HNNXBMFYSA-N 284.403 3.675 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(C(C)(C)C)n[nH]1 317418040 PUPFTBMYICPARH-UHFFFAOYSA-N 299.374 3.524 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Oc1ccc(SC)cc1 410124195 VXFUTLHMTUPYAJ-STQMWFEESA-N 293.432 3.647 30 20 CHED CC1(C)CC[C@H](CSCc2ccc(F)cc2C#N)O1 184821740 BWOWITJVXOEXNT-CQSZACIVSA-N 279.380 3.888 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cn(CC(C)C)c2ccccc12 127132162 KEBUWFZAOOBOFP-SFHVURJKSA-N 297.402 3.719 30 20 CHED CC[C@H]1CCCCN1Cc1cn2ccccc2c1C#N 338395743 WVAIHELKCLROCB-HNNXBMFYSA-N 267.376 3.575 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(F)cc1C#N 72900650 ZJMTUMDZRJAXHM-LBPRGKRZSA-N 280.412 3.661 30 20 CHED Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 76129518 JICGWRCVALEYOQ-HNNXBMFYSA-N 292.382 3.595 30 20 CHED Cc1c(C#N)c(SCC[C@@H](C)F)nc2c1CCC2 505443695 LWVYVRWPDKBTTE-SECBINFHSA-N 264.369 3.591 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H]1CCc2ccccc2C1 410127971 DZRUBJUCAQOZIX-PBHICJAKSA-N 271.404 3.653 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@H]1CCCS1 129347324 NYWKRDWQSFNWJI-VVBXCHJUSA-N 271.385 3.860 30 20 CHED CC(=O)c1sccc1OCc1cc(C#N)ccc1F 184526589 BGFZWCDPYODNQU-UHFFFAOYSA-N 275.304 3.540 30 20 CHED CCN(CC#N)[C@H](C)c1ccc(Cl)cc1Cl 411215803 SIZYTKONGXPNND-SECBINFHSA-N 257.164 3.900 30 20 CHED N#Cc1cccc(CNc2ccc(N3CCCCC3)cn2)c1 123266247 SILNDHMSGVFELN-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc2cn[nH]c12)c1ccccc1 128441699 SMUPFJREWQBLHW-ZDUSSCGKSA-N 291.354 3.861 30 20 CHED CCC[C@H](C#N)N(C)C(=O)Cc1cc(Cl)ccc1Cl 410831493 ZNXSHJYBGKLYQN-GFCCVEGCSA-N 299.201 3.687 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1 132544970 HFOSACGHLCFZGP-MDWZMJQESA-N 295.382 3.795 30 20 CHED C=C[C@H](CC(=O)Nc1cnccc1C)c1ccccc1 130003259 VUHTVCSGCZPKPH-CQSZACIVSA-N 266.344 3.688 30 20 CHED N#Cc1csc(/C=C2\Cc3c(F)cc(F)cc3C2=O)c1 131196803 BWICYQHXSFHEGL-XNWCZRBMSA-N 287.290 3.720 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)c1ccc(F)cc1 181109525 IKIJXEUIOIGVIN-GFCCVEGCSA-N 264.344 3.716 30 20 CHED C[C@@H](NCCCSCC#N)[C@H](C)C1CCCCC1 185498800 IVBGJUPEUXZTFO-UONOGXRCSA-N 268.470 3.828 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1cccc(C#N)c1 137232869 RNJHUCZXLCOFAQ-WMLDXEAASA-N 299.418 3.668 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc3cccnc23)CCC1=O 328928062 XOORTZZKINYXEP-WCQYABFASA-N 282.343 3.828 30 20 CHED C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C#N)c(F)c1 414214802 TXSDVURYGUWPOY-UUFMSHNVSA-N 258.340 3.537 30 20 CHED CCn1c(-c2ccc(F)cc2F)nc2cc(C#N)ccc21 86635694 IBPOJUMEBZEUIW-UHFFFAOYSA-N 283.281 3.873 30 20 CHED C=CCC1(C(=O)N(C)C2CCC(OC)CC2)CCCCC1 410485737 JXRLSXFHFPJGHH-UHFFFAOYSA-N 293.451 3.929 30 20 CHED C=CCN(CC=C)C(=O)CSc1ccc(Cl)cc1 49535217 UCGBFMDLWHPDTQ-UHFFFAOYSA-N 281.808 3.633 30 20 CHED C=CC[C@@H](C)NC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 136327944 PFDLYNVMQRINPP-GDBMZVCRSA-N 286.419 3.786 30 20 CHED CSc1ccc(NCc2cc(C#N)n(C)c2)cc1Cl 191425345 KXSKNLFIEAVZDI-UHFFFAOYSA-N 291.807 3.884 30 20 CHED C=C(C)[C@@H](N[C@@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 195121077 YVHVAIYHVWJOLG-IUIKQTSFSA-N 281.346 3.597 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC(C)(CC)CC1 504864535 QUAHNLHSTYHTQY-UHFFFAOYSA-N 287.403 3.904 30 20 CHED Cc1ccc([C@@H](NC(=O)c2cc(C#N)cs2)C2CC2)cc1 84073452 CJEJSWFKIXSBGH-MRXNPFEDSA-N 296.395 3.809 30 20 CHED Cc1ccccc1C[C@H](N[C@@H]1CC[C@H](C#N)C1)C1CC1 424328746 OJAKEIIIGOYPSS-QGTPRVQTSA-N 268.404 3.598 30 20 CHED CCN(CCC#N)Cc1nc(-c2ccc(C(C)C)cc2)no1 81040782 RFPDFTMCBIVAKB-UHFFFAOYSA-N 298.390 3.596 30 20 CHED Cc1ccc(NC(=O)NCc2cccc(C#N)c2)c(Cl)c1 43187889 CTVVAZWXLUBCAJ-UHFFFAOYSA-N 299.761 3.842 30 20 CHED CCCCCCCC(=O)N(CC#N)c1ccccc1 194952869 QLNRYNQIJPKSAG-UHFFFAOYSA-N 258.365 3.904 30 20 CHED C=CCNC(=O)N(C)Cc1ccccc1-c1ccccc1 510086216 MGPWBJLCUKDROP-UHFFFAOYSA-N 280.371 3.681 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(C)cc1C 429895879 DMPGBQLLWPHDQL-UHFFFAOYSA-N 259.393 3.564 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3ccccc3)CC2)C1 429685889 NOSNVNOLYKUKTN-NXHRZFHOSA-N 268.404 3.948 30 20 CHED CC[C@@H]1CCCC[C@@H]1N/C(O)=N/Cc1nc(C)c(C)s1 330934582 JLMNHJXIDJVNRH-OLZOCXBDSA-N 295.452 3.732 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421557743 LUIYMUQXWNQXIR-OCCSQVGLSA-N 281.359 3.503 30 20 CHED CC[C@H](C)C[C@H](C)/N=C(/O)Nc1sc(C)nc1C 330933357 CNCAQIOYICDWLG-IUCAKERBSA-N 269.414 3.911 30 20 CHED Cc1c(C#N)cccc1-c1nc(-c2cccc(F)c2)no1 511205433 LNUBTMGHYREOIL-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CC[C@H](C)[C@H](C)/N=C(/O)c1cc(C)cc2c[nH]nc12 330453801 VPASHKUMUNPPJB-QWRGUYRKSA-N 259.353 3.611 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CC[C@@H](CC(C)C)C1 337876496 ZFNQIAIOQHTWSK-AWEZNQCLSA-N 288.439 3.604 30 20 CHED Cn1ccnc1-c1cccc(NC2CCC(C)(C#N)CC2)c1 334656529 MOTDRUTZMSAPPC-UHFFFAOYSA-N 294.402 3.971 30 20 CHED CCc1cccnc1/C(O)=N/CCO[C@@H]1CCCC[C@H]1C 330548045 CZMIKJRIHNKGFO-UKRRQHHQSA-N 290.407 3.544 30 20 CHED C=CCc1cc(CN(CC)[C@@H](C)C(C)C)cc(OC)c1O 512231366 YKIWLWPFXYOKLB-AWEZNQCLSA-N 291.435 3.996 30 20 CHED Cc1c(NC(=O)C2(C#N)CCCCC2)ccc(F)c1F 334873646 RHMXXUVFFRYTBC-UHFFFAOYSA-N 278.302 3.686 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc3c2OCO3)c(C)s1 98008635 ZZECEQQUJZPAFE-SREVYHEPSA-N 286.352 3.990 30 20 CHED CO[C@H](C/N=C(/O)c1cc[nH]c1C(C)C)C(C)(C)C 330602777 FPGNAWPDIQFIJQ-GFCCVEGCSA-N 266.385 3.504 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1sc(C)c(C)c1C#N 330965404 CPVIQKANWORYGU-AWEZNQCLSA-N 262.378 3.777 30 20 CHED Cc1cccc([C@@H](C)CN=c2ccc(Cl)c(C#N)[nH]2)c1 524945847 PTVSRSYOWYYSNC-LBPRGKRZSA-N 285.778 3.553 30 20 CHED CCC(CC)CN(CCC#N)Cc1cn2cc(C)ccc2n1 342801497 XATGBCWMJGYBRD-UHFFFAOYSA-N 298.434 3.795 30 20 CHED N#CCC[C@H](C#N)CNC[C@H]1CCC[C@@H]1c1ccccc1 520377419 JDFXOHYCGWMPFZ-KBAYOESNSA-N 281.403 3.603 30 20 CHED C=CCC(C)(C)c1noc(CSC[C@H]2CCCCO2)n1 340831063 SNYBKNOMOWQQPQ-GFCCVEGCSA-N 296.436 3.726 30 20 CHED CCOc1ccccc1-c1noc(-c2cc(C#N)oc2C)n1 345885227 MOVPWZOSQSQYTH-UHFFFAOYSA-N 295.298 3.575 30 20 CHED CCOc1ccc([C@H](C)NCCC(C)(C)C#N)cc1OC 345936377 QKCUYMMKYYXEOI-ZDUSSCGKSA-N 290.407 3.684 30 20 CHED N#CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCCC1 245694557 KHKMTZMNLNVCQQ-HRCADAONSA-N 288.435 3.936 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cccc(-c3ccccn3)c2)C1 349853313 RXTAQNPNMPOBAC-PBHICJAKSA-N 277.371 3.530 30 20 CHED Cc1cccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)n1 347382371 VFYUCLOWGOKNAL-UHFFFAOYSA-N 299.418 3.619 30 20 CHED CCC(C#N)(CC)c1nc(Cc2ccc(F)cc2F)no1 528098635 RSGOKTPIPVOGJC-UHFFFAOYSA-N 291.301 3.520 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)CCC#N)c1ccccc1 345913045 ROBKPMBXPMORMS-AWEZNQCLSA-N 272.392 3.626 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 249137859 XDSHPPOWCAXLSO-GRDNDAEWSA-N 259.393 3.897 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@H]1CC[C@@H](SCC)C1 341259693 NEYVOFPTPOURSG-QWHCGFSZSA-N 269.454 3.721 30 20 CHED C=C[C@@H](CC(=O)NCC1(C(F)F)CC1)c1ccccc1 348760372 AEMIOUBANYGLKO-LBPRGKRZSA-N 279.330 3.508 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc2ccn(C)c2c1 601036716 FHPHHMRTXXTDBU-UHFFFAOYSA-N 297.402 3.580 30 20 CHED COC(=O)[C@H](Sc1ccccc1C#N)c1ccccc1 439713232 HYBAWRYONKBNSC-OAHLLOKOSA-N 283.352 3.565 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(Cl)c(C)c1 435731134 IJPRVTGVLBXGFW-GOEBONIOSA-N 279.811 3.719 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)cc1 255049432 ZQHCZLJSOUXSQX-BHQIHCQQSA-N 299.276 3.763 30 20 CHED C=CCCCCCSCc1ncnn1C(C)C 432513028 ZDEPSYIGXPCVLD-UHFFFAOYSA-N 253.415 3.839 30 20 CHED CCc1occc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 430509540 JCDCLCIUEAYDPJ-NSHDSACASA-N 288.372 3.912 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[C@H]1CCC(C)C 448898691 VVQDAAHPYZYGTO-XJKSGUPXSA-N 287.407 3.530 30 20 CHED C=CCOc1cccnc1C(=O)Nc1cccc(C)c1C 341908378 OSDWEKGONHUODE-UHFFFAOYSA-N 282.343 3.516 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC1CC(c2cc(F)cc(F)c2)C1 449546372 BKPDDBFZXRTBKO-ULNHQPMUSA-N 293.357 3.534 30 20 CHED CCc1ccc(CN(CC2(C#N)CC2)C2CC2)cc1 343254995 WKDUFNLTKOVKSB-UHFFFAOYSA-N 254.377 3.517 30 20 CHED C=CCN(Cc1cccs1)Cc1cnc(CC)s1 349524868 SWLJAABDQGSIIO-UHFFFAOYSA-N 278.446 3.955 30 20 CHED Cc1c[nH]cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 341875728 CVEFUBKMTSRAQT-NSHDSACASA-N 299.399 3.827 30 20 CHED CC[C@@H](C)[C@H](CNc1cccc(OCCCC#N)c1)OC 602483214 HWPQWJGSVRXYRC-PBHICJAKSA-N 290.407 3.842 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 255680140 BMFFCRXLSOBFIC-XQRVVYSFSA-N 288.690 3.539 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(F)cc1F 353420936 WQCYTQGNSKSSQO-UHFFFAOYSA-N 266.335 3.727 30 20 CHED C[C@H](CCC#N)CN[C@@H](CC(C)(C)C)C(F)(F)F 602598058 ADDXNOWXOOMTCY-MNOVXSKESA-N 264.335 3.883 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2c[nH]c3ccccc23)c1 254835690 NNAZNXKJPWOIAP-UHFFFAOYSA-N 280.287 3.522 30 20 CHED Cc1cc(CNC[C@H](C)CCC#N)ccc1Cl 602615243 XHBXWWHVZAMTSM-LLVKDONJSA-N 250.773 3.678 30 20 CHED COc1cc(N[C@H]2CCc3ccc(C#N)cc32)cc(OC)c1 353673653 HUJGLRKKKJKXAJ-SFHVURJKSA-N 294.354 3.675 30 20 CHED C=CC1CCN(C(=O)/C=C\c2ccc(Cl)s2)CC1 255001422 QDRMMMCPVGCSDQ-XQRVVYSFSA-N 281.808 3.839 30 20 CHED C=CCCC1(C(=O)N(C)Cc2cccc(C)c2)CC1 354312699 PYSZRBUOYXXPRD-UHFFFAOYSA-N 257.377 3.700 30 20 CHED CCOCc1ccccc1CNCc1ccc(C#N)c(C)c1 443980025 LVDMQGJGHRMQNZ-UHFFFAOYSA-N 294.398 3.693 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCC=C2 355552086 YVZFUIGPFVHTJQ-KRWDZBQOSA-N 267.372 3.827 30 20 CHED C=CCOc1ccc(CC(=O)N(CC(C)C)C(C)C)cc1 448843397 DWVZDUPZHQTJST-UHFFFAOYSA-N 289.419 3.687 30 20 CHED C[C@H](c1cccs1)N(C)Cc1ccc(OCC#N)cc1 264170570 VMYDJEMNUNDFCO-CYBMUJFWSA-N 286.400 3.843 30 20 CHED COc1ccc2cc(CNc3cccnc3C#N)ccc2c1 358839845 MWERHOKGLXPRJT-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)[C@H](C)c1ccc(C#N)cc1 448777508 MLPOCCFZHYCTDP-ZSGPHXLJSA-N 296.414 3.904 30 20 CHED C=C(CC)COc1ccc(NC(=O)CCC)cc1C(C)=O 536889754 KZNCXNUUQZNYPH-UHFFFAOYSA-N 289.375 3.973 30 20 CHED C=CC[C@H]1N(Cc2nc(C(C)(C)C)no2)CCCC1(C)C 444791882 NNBFERIYVRKLGZ-CYBMUJFWSA-N 291.439 3.934 30 20 CHED C[C@H](NCCc1cccc(F)c1F)c1cccc(C#N)c1 537309221 UJUHIVLMUVSTHT-LBPRGKRZSA-N 286.325 3.730 30 20 CHED CCc1ccc(OCc2ccc(F)cc2C#N)c(OC)c1 534867219 MHRZMVSRWFKMQH-UHFFFAOYSA-N 285.318 3.847 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1cccc(OC)c1 538289306 FOUVTLAGNQVQGH-AWEZNQCLSA-N 290.407 3.581 30 20 CHED C=CCCCSCC(=O)Nc1cc(Cl)ccc1C#N 265357487 AKEXEKFITJPHLX-UHFFFAOYSA-N 294.807 3.850 30 20 CHED C=CCN(C(=O)c1cccc(C(C)(C)C)c1)[C@@H](C)COC 617584946 PASMIJRIZBGGMH-AWEZNQCLSA-N 289.419 3.647 30 20 CHED C=CCOc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1 359286532 LSVIVXFUKKHDNV-INIZCTEOSA-N 285.387 3.512 30 20 CHED C[C@H](c1ccc(F)c(F)c1)[S@@](=O)CCC(C)(C)C#N 616184069 PYSSNZZGXVNICY-DGIBIBHMSA-N 285.359 3.714 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(CC(F)(F)F)c1 353390015 SOBDJGYTGGZJHP-CYBMUJFWSA-N 284.281 3.670 30 20 CHED N#C[C@@H]1CCC[C@H](NC2(Cc3ccccc3)CCC2)C1 447589056 WUPRYPWMQPMEFI-SJORKVTESA-N 268.404 3.824 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1 619746594 BKOUGCAHVZUEMT-LBPRGKRZSA-N 295.773 3.934 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(F)cc2Cl)C1 612289992 DZWHEBJUGSZMSL-CQSZACIVSA-N 295.745 3.637 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1nc(C)cc(C)c1C#N 354600262 KADOJWUSWVMEBY-JTQLQIEISA-N 271.286 3.713 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2c[nH]c3cccc(C)c23)C1 617783990 LDUFKHDYKJQSAY-OAHLLOKOSA-N 296.414 3.834 30 20 CHED Cc1ccc(-c2noc(Cc3ccc(C#N)cc3)n2)c(F)c1 445397950 NYRASZLNLMDWPQ-UHFFFAOYSA-N 293.301 3.647 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)N(CCC#N)C(C)C)cc1 530925357 SUIFYSONRVYWSA-AWEZNQCLSA-N 288.391 3.628 30 20 CHED Cc1c(C#N)c(NC(=O)[C@@H]2C[C@H]2C)n(-c2ccccc2)c1C 611466851 WIJJDBPVDURSKB-IAQYHMDHSA-N 293.370 3.560 30 20 CHED C=C[C@H](N[C@@H](C)c1ccc(SC(C)C)cc1)C(=O)OC 619701192 AKLQZJQNALORHS-WFASDCNBSA-N 293.432 3.565 30 20 CHED CC(C)[C@H]1CN(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@@H]1C(C)C 456348850 SDWORNZYSBEORC-BMGDILEWSA-N 298.430 3.801 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1C[C@H]2CC[C@H]1C2 618742286 LXJXAKLQPCRQLC-GKEYINFOSA-N 266.388 3.571 30 20 CHED C=C1CCN(C(=O)c2ccc(-c3cccs3)nc2C)CC1 264545949 JQFZUGKLRHMZLB-UHFFFAOYSA-N 298.411 3.911 30 20 CHED C=C(C)CN(CC)C(=O)Nc1scnc1C(C)C 455838990 BTESAMBNKOFTCI-UHFFFAOYSA-N 267.398 3.696 30 20 CHED Cc1cccc(CN(C)c2nc(C(C)(C)C)ccc2C#N)n1 613427062 PXUNWTSLPSVKDN-UHFFFAOYSA-N 294.402 3.591 30 20 CHED C=CCCCN(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 530950220 SUFPQGLKFCOLNX-IEBWSBKVSA-N 286.463 3.938 30 20 CHED CC[C@@H]1C[C@]1(NCC1(C#N)CCC1)c1cccc(C)c1 450922624 OHJUSCFTIRTNCY-CRAIPNDOSA-N 268.404 3.904 30 20 CHED CCC[C@@H](NC(=O)c1cccc(C#N)c1)C(C)(C)C 452657018 BKNUVMKYERUEOD-CQSZACIVSA-N 258.365 3.503 30 20 CHED C=CC[C@H]1N(C[C@@H]2C[C@H]3CC[C@H]2O3)CCCC1(C)C 450863133 GLCXLLHEQJPNLE-ZJIFWQFVSA-N 263.425 3.621 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1ccncn1)c1ccc(F)c(F)c1 453199462 QFGMVRSNMHZWPN-BDJLRTHQSA-N 289.329 3.723 30 20 CHED C=CCN(C(=O)[C@H]1CCCC[C@H]1C(F)(F)F)C1CC1 544413667 IUCTTYMNUFVOTO-NWDGAFQWSA-N 275.314 3.532 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 457079563 MAKWQIVXCJIBMP-RDTXWAMCSA-N 288.435 3.745 30 20 CHED C#CCCCC(=O)N(C)[C@H](C)c1ccc(C)cc1C 277244840 PDFYIQMZELJGFQ-OAHLLOKOSA-N 257.377 3.626 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc([C@H]2CCCC(C)(C)C2)no1 453170585 IHUZWVDKXUJQHU-JRPNMDOOSA-N 259.353 3.555 30 20 CHED C=C(C)CCN[C@H](C)c1cc(Cl)c(OC)cc1OC 453321531 PXWFLMDRJNNQAJ-LLVKDONJSA-N 283.799 3.974 30 20 CHED C=C(C)COc1cccc(NC(=O)NC2CC(F)(F)C2)c1 277085456 KEBLHSZVSADDEC-UHFFFAOYSA-N 296.317 3.561 30 20 CHED C=CC[C@H](CO)NCc1ccc(-c2ccc(CC)cc2)o1 545960869 QDXSEXCLEAXWJB-MRXNPFEDSA-N 285.387 3.536 30 20 CHED C=CCCN(C)C(=O)Nc1cc(Cl)cnc1OC(C)C 455832874 DVNHMPMXMIBZDX-UHFFFAOYSA-N 297.786 3.562 30 20 CHED N#CCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 543781978 RKNUXCINDUMVGA-UHFFFAOYSA-N 297.427 3.936 30 20 CHED C#CCCCC(=O)N1CCCC[C@H]1c1ccc(F)cc1F 372951562 GLFHIXCAAJGCEG-INIZCTEOSA-N 291.341 3.822 30 20 CHED C#CC[C@H](NCc1ccc(CC)o1)c1ccccc1 270198818 LWMRATASCBCGIZ-KRWDZBQOSA-N 253.345 3.696 30 20 CHED C=CC[C@@H](CC)NC(=O)N1C[C@H](C)c2ccccc21 466384053 QQRMZCRVQXYHKS-QWHCGFSZSA-N 258.365 3.674 30 20 CHED Cc1cccc(NC2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 278636602 OQCGROQJVMKHDO-YJBOKZPZSA-N 283.419 3.564 30 20 CHED CC[C@H](Nc1ncc(Cl)c(C)c1C#N)c1ccncc1 273381429 SYCNXBZRYSDFLK-AWEZNQCLSA-N 286.766 3.873 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1sccc1C#N 280569778 RVIULJJVOVANQB-JQWIXIFHSA-N 262.378 3.775 30 20 CHED C#CC[C@H](NC1CCC2(CCCO2)CC1)c1ccccc1 376399298 IFPPWUDCDAYJHU-XBMUEBEBSA-N 283.415 3.832 30 20 CHED C=CC[C@H](C)NC(=O)CC1CC(c2ccccc2)C1 281199514 IYSREJXEVDJKEO-HLIUYOAVSA-N 257.377 3.651 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(C2CC2)no1 281667235 LFKZKYHLGOHWKK-UHFFFAOYSA-N 288.391 3.761 30 20 CHED C=CC[C@@H]1CCN(Cc2c(C(=O)O)oc3ccccc23)C1 629365947 BBYALGDZLVNOJM-GFCCVEGCSA-N 285.343 3.529 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCc1ccccc1F 280916132 SPZCUOKERMCTDM-ZVZYQTTQSA-N 291.410 3.718 30 20 CHED C=CCCN(C)C(=O)CCOc1ccccc1C(C)C 466641724 VHDYXNCPJKOHKA-UHFFFAOYSA-N 275.392 3.613 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](CC)C1CCOCC1 462102428 CASCYLYCPZYSOZ-CVEARBPZSA-N 253.430 3.916 30 20 CHED C=CCC[C@@H](NC(=O)CCC1(O)CCC1)c1ccccc1 632001895 GEIWJHCWXLXJBQ-MRXNPFEDSA-N 287.403 3.505 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccccc1CC 556930915 VHERFGCZXNZSEY-UHFFFAOYSA-N 293.370 3.805 30 20 CHED C=C(C)CNC(=O)c1sc2ccc(C)cc2c1C 469829827 DQFDEFNHHKHQPB-UHFFFAOYSA-N 259.374 3.824 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1ccc(F)c(C#N)c1 468271240 VIPBYLHADDPNSX-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CCCC[C@@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N 283615613 UTZUXHDQDQOCFK-OLZOCXBDSA-N 274.364 3.742 30 20 CHED Cl/C=C/CON=Cc1cc(Br)cs1 388226722 KPROVHCIDIPJAT-NNKDLDAJSA-N 280.574 3.614 30 20 CHED C[C@@H]1CC[C@H](OC(=O)CCCCCC#N)[C@H](C)C1 805885599 ZPSNWMGNMKUTAZ-MCIONIFRSA-N 251.370 3.828 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(OC(F)F)cc2F)C1 802657261 AINDSHINXMKDAW-DTWKUNHWSA-N 270.254 3.531 30 20 CHED C=CCCCCCCNC(=O)CCc1nc2ccccc2[nH]1 805219532 OTBUVZNJSOCOQF-UHFFFAOYSA-N 299.418 3.748 30 20 CHED C#Cc1ccc(CN(Cc2cccc(O)c2)CC2CC2)cc1 809556652 JFWLMNHTLASGIA-UHFFFAOYSA-N 291.394 3.786 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)OCCCSCC#N 805454679 OKZRKMIUQLAEHL-AWEZNQCLSA-N 283.437 3.783 30 20 CHED CC[C@@H](NCC(C)(C)CCC#N)c1ccccc1O 806177749 IPSLIOZFWCKUJV-CQSZACIVSA-N 260.381 3.763 30 20 CHED C=C(CNC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 645505098 RPEOHDQDTCVRJV-IRXDYDNUSA-N 284.403 3.674 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1 291050616 ZUNOPOQYKHMQFK-CRAIPNDOSA-N 283.415 3.995 30 20 CHED Cc1ccccc1OC(=O)c1cc(C#N)ccc1Cl 807916852 DKOWPMFAOXJIAN-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C=CCCCCCCNC(=O)c1c(C)noc1C1CC1 805217389 BJBDMYASAUWATA-UHFFFAOYSA-N 276.380 3.727 30 20 CHED CSC1(C=NNc2ncnc(Cl)c2C(C)C)CCC1 800817492 NUTUOYSLFAYYAL-UHFFFAOYSA-N 298.843 3.937 30 20 CHED CC[C@H](N[C@@H](C)CN1CCC[C@H](C)C1)c1ccc(C#N)cc1 564162586 ADPUQHITRZQJKD-BXWFABGCSA-N 299.462 3.719 30 20 CHED C=CCN(C(=O)CCCc1ccccc1Cl)C1CC1 564517014 KXZGAKLXLPRXOK-UHFFFAOYSA-N 277.795 3.840 30 20 CHED Cc1nc(N2CCC[C@@](C)(c3ccccc3)C2)ccc1C#N 488060834 ATJKJNATNQINAV-LJQANCHMSA-N 291.398 3.820 30 20 CHED C=CCCCS(=O)(=O)Oc1ccccc1[C@@H](C)CC 813642559 AYDNNQIZWPVCEX-ZDUSSCGKSA-N 282.405 3.875 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1CCC[C@H](C)C1 642012443 YRJXBROKMSIPAW-KBPBESRZSA-N 273.376 3.560 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2cccnc2C#N)C1 567157005 INMYOHACZISAOI-SFHVURJKSA-N 277.371 3.511 30 20 CHED C=C(C)CN(C)Cc1ccc(Br)cc1C 481279448 DKXAXXAFRFUAAX-UHFFFAOYSA-N 268.198 3.765 30 20 CHED CC(=NNc1cccc(C)c1)c1cccc(CN(C)C)c1 814687632 OENCBDIPSUTSMI-UHFFFAOYSA-N 281.403 3.893 30 20 CHED C=CC[C@H](C(=O)Nc1cncc(C)c1)c1ccccc1 489666885 PRUZXPMYTJGRCG-INIZCTEOSA-N 266.344 3.688 30 20 CHED C=CCCCCCCCNC(=O)C1CCN(C(C)C)CC1 811589803 HFNNFJFHQAMEAT-UHFFFAOYSA-N 294.483 3.750 30 20 CHED C=CCCCCOC(=O)CCc1cnn(-c2ccccc2)c1 811010059 HUJZUMQBQAKNHI-UHFFFAOYSA-N 298.386 3.704 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccccc1F 814789411 GQADMEZVUXHCKD-LLVKDONJSA-N 259.328 3.943 30 20 CHED N#CC1(CN[C@H]2CCCC[C@H]2c2ccccc2)CC1 484629253 AEVFRFPPUNSDAF-HOTGVXAUSA-N 254.377 3.606 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CC)c2ccc(Cl)cc2)cn1 728806486 FJCVQCSVVSDESU-INIZCTEOSA-N 298.773 3.597 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)N1CCCC1 729491596 NWPSQWHNRIKJJU-UHFFFAOYSA-N 284.812 3.605 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NOCCOC(C)C 812238508 XXIULMMUBNLRCX-CYBMUJFWSA-N 261.365 3.648 30 20 CHED C#CCCOC(=O)[C@H](SCc1ccccc1)C(C)C 727631066 WYZHRGMBQFRZAT-OAHLLOKOSA-N 276.401 3.511 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1Cc2ccccc21 811590138 QOXPVQZRFQOSHV-KRWDZBQOSA-N 271.404 3.969 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCCC1(O)CCC1 817707812 ODUQCDFYRZCXCS-CPNJWEJPSA-N 283.371 3.660 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1c(F)cccc1Cl 811658618 HSFANZMWYPAMRG-JTQLQIEISA-N 286.803 3.546 30 20 CHED C=CCCOC(=O)C(F)(F)c1cccc(Cl)c1 729072526 PPVFKUXCTSSVMW-UHFFFAOYSA-N 260.667 3.551 30 20 CHED CN(CCOCc1ccc(C#N)cc1)CC1CCCCC1 570850721 WAHVOPAWSZJVAU-UHFFFAOYSA-N 286.419 3.587 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](C)CSc1ccccc1 651144176 ZLXILKAGHPKLOK-CQSZACIVSA-N 292.448 3.775 30 20 CHED C=C(C)CN(CC)C(=O)CN(CC)c1ccc(Cl)cc1 729473821 UOVZCEZQUBHXGS-UHFFFAOYSA-N 294.826 3.591 30 20 CHED C#CCCOC(=O)c1cccc(Oc2ccccc2)c1 727041436 PXEGHDZTNRDBRH-UHFFFAOYSA-N 266.296 3.659 30 20 CHED C#CCCCOC(=O)[C@H](C)Sc1ccccc1Cl 727039186 ODQWIJUJMRALSG-NSHDSACASA-N 282.792 3.777 30 20 CHED CC#CCCNCc1cccc(OCc2ccc(F)cc2)c1 499212754 LXZXWRZPJLAOFH-UHFFFAOYSA-N 297.373 3.908 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@H]2CCCC[C@H]2C)c1 726455631 QEGNODOFEKFKRL-CJNGLKHVSA-N 286.444 3.875 30 20 CHED CCCCCCNC(=O)Nc1scc(C)c1C#N 821434821 GFGTUCOSOZZLII-UHFFFAOYSA-N 265.382 3.630 30 20 CHED CC[C@H](N=c1cc(C)[nH]c(C#N)c1)c1cc(F)ccc1F 581828938 XVJNDGLTUXSNIH-INIZCTEOSA-N 287.313 3.525 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C)c(C)s1 908642206 QDQFWAYUXIGOPW-ZDUSSCGKSA-N 291.416 3.505 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(C#N)o2)c2ccccc21 492015306 XFQZVOIBKMEEIK-UHFFFAOYSA-N 294.354 3.869 30 20 CHED N#Cc1ccc(NCc2noc3ccccc23)cc1Cl 589597876 DJQBFYAEWZQEQA-UHFFFAOYSA-N 283.718 3.965 30 20 CHED N#Cc1ccc(SCc2ccc(Cl)s2)nc1 498161564 IEEADWXLIKAQCO-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H](C)CCC=C(C)C 581609431 CAROKLPQZJKMDZ-HNNXBMFYSA-N 262.397 3.687 30 20 CHED CC[C@H](NCC(C)(C)c1cccnc1)c1cccc(C#N)c1 903024931 QBVDHVIYRDUNMD-SFHVURJKSA-N 293.414 3.972 30 20 CHED O=C(/C=C/c1ccc(C2CC2)cc1)c1cc2n(n1)CCC2 901561977 YILVTCSNCQAIFZ-BJMVGYQFSA-N 278.355 3.603 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc(C)cc1Cl 494475455 MHBGKKSZZKSTEH-ZDUSSCGKSA-N 293.794 3.616 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)CCCCCC)CC1 732237698 DVYQFFPLHCZWCR-CQSZACIVSA-N 266.429 3.953 30 20 CHED CCC(CC)NN=Cc1cc(C)n(-c2cc(C)on2)c1C 734366527 WBGXMSCVWIFUQI-UHFFFAOYSA-N 288.395 3.503 30 20 CHED C=CCCNC(=O)N[C@@H](C)c1cc2ccccc2s1 664035823 QGXRZILHRIBIGJ-NSHDSACASA-N 274.389 3.838 30 20 CHED CCN(CC)c1ccc(CNCC(C)(C)CC#N)cc1 839164074 XZWFKWSOPXCSFH-UHFFFAOYSA-N 273.424 3.562 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C2(c3cccnc3)CCCC2)C1 839062579 MTWJOGKVNLSBSB-GOEBONIOSA-N 298.386 3.519 30 20 CHED CCCC[C@H]1CCCC1=NN[C@H](C)C(F)(F)F 835003551 ZFSWJEKYIXTKFW-ZJUUUORDSA-N 250.308 3.873 30 20 CHED C=C1CCC(C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1 901125193 UAFCBQLVQKFQCK-CQSZACIVSA-N 287.403 3.576 30 20 CHED CCOc1ccccc1COc1cc(C#N)cc(OC)c1 581524046 MTEQWYVROHLOGJ-UHFFFAOYSA-N 283.327 3.545 30 20 CHED COc1cccc(O)c1/C=N\Cc1coc2ccccc12 733904629 YTQTZPGLLYWCJQ-ZDLGFXPLSA-N 281.311 3.766 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccc2c(c1)CCO2 731320544 XLYHTNSCLBKMOC-QHHAFSJGSA-N 282.314 3.965 30 20 CHED CC(C)c1ccc2cc(C(=O)NCC(C)(C)CC#N)[nH]c2c1 837889801 LUNASUUUDLLHTG-UHFFFAOYSA-N 297.402 3.961 30 20 CHED CSc1ccc(NN=C2CC[C@@H](CC(=O)O)[C@H]2C)cc1 834998430 HDBHQVKADKYYNS-MNOVXSKESA-N 292.404 3.697 30 20 CHED CCC#C[C@@H](C)Sc1nnc(-c2ccccc2C)o1 677130909 JDEJKSSACBMBRM-GFCCVEGCSA-N 272.373 3.939 30 20 CHED CC(C)CN1Cc2cccc(NC(=O)C#CC(C)(C)C)c2C1 837483328 CRSFHCFPMIJYKC-UHFFFAOYSA-N 298.430 3.646 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(O)cs1 732678193 VRVALARFQZCJEU-UHFFFAOYSA-N 279.405 3.662 30 20 CHED C#CCOc1ccc(NC(=O)CCc2cccc(C)c2)cc1 730980887 XBFZYPCSSHSVRQ-UHFFFAOYSA-N 293.366 3.578 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cnc(Cl)c(Cl)c2)C1 839055509 JUEOQFFOSKDMQQ-WPRPVWTQSA-N 299.157 3.628 30 20 CHED COc1cccc(C=NNc2ccccc2)c1OC(F)F 916247292 NYFZARXCDTYQIK-UHFFFAOYSA-N 292.285 3.743 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C(C)(C)c1cccc(Cl)c1F 594088509 QXEOPXDAYUCTGM-JTQLQIEISA-N 296.773 3.517 30 20 CHED C=CCN(C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21)C(C)C 838649671 ZAGCDYPDCAOIDF-UKRRQHHQSA-N 288.391 3.505 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccsc2Cl)C1 597259136 XQERARQQICEPSA-NOZJJQNGSA-N 282.796 3.604 30 20 CHED N#CCN(C(=O)CCC1CCC1)c1ccc(Cl)cc1 592651407 VLKBOTDGCWKFJG-UHFFFAOYSA-N 276.767 3.777 30 20 CHED CN(C)c1ccccc1-c1cccc(C2(C#N)CC2)c1 592984463 BWYWMBDZLGGNDS-UHFFFAOYSA-N 262.356 3.975 30 20 CHED CC[C@@H](C#N)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 593510032 JZURMTPSDMLHGS-LBPRGKRZSA-N 288.778 3.505 30 20 CHED N#CC[C@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 596331415 XWMUGGLPWYLCFP-LLVKDONJSA-N 293.292 3.707 30 20 CHED N#Cc1ccc(CSCC(=O)OC2CCCCC2)cc1 915799522 GAGCQZPZRKZLOT-UHFFFAOYSA-N 289.400 3.667 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(O[C@@H]2CCOC2)cc1 849246848 LXVZOQVAXPIXNP-HQQUCIOCSA-N 298.338 3.652 30 20 CHED C[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 748083403 NIILAZZAHOCZMG-HNNXBMFYSA-N 294.402 3.501 30 20 CHED CC[C@@H](C#N)C(=O)N(CCc1ccccc1)C1CCCC1 593432738 VIHWJTPEIZRJRL-INIZCTEOSA-N 284.403 3.550 30 20 CHED C#CCCc1noc(Cc2ccccc2OC2CCCC2)n1 842492409 URZWBEZBCALCSG-UHFFFAOYSA-N 296.370 3.548 30 20 CHED C[C@@H](CCc1ccsc1)NCCc1ccc(C#N)cc1 595055743 ILPXTJLMWKYHGI-AWEZNQCLSA-N 284.428 3.773 30 20 CHED C=C(C)CNc1nnc([C@H](C)Oc2cccc(Cl)c2)o1 849161086 BJBLWTSRZKYFSC-JTQLQIEISA-N 293.754 3.851 30 20 CHED Cc1cc(CSCc2ccc(CC#N)cc2)nc(C)n1 596374614 WTOMTMUWIIWCFF-UHFFFAOYSA-N 283.400 3.593 30 20 CHED N#CCC1(COc2ccccc2-c2nccs2)CC1 596268199 GCUGKVWWQYMZEJ-UHFFFAOYSA-N 270.357 3.883 30 20 CHED COc1ccccc1-c1noc(CC2(C#N)CCCCC2)n1 594730270 RCMDTOCZMBIHMS-UHFFFAOYSA-N 297.358 3.762 30 20 CHED C=C(C)CNC(=S)N(CC)Cc1cccc(Cl)c1 916020634 SHBPDUVPISJWFT-UHFFFAOYSA-N 282.840 3.613 30 20 CHED C[C@H](NC(=O)[C@]1(C)CCC[C@@H]1C)c1cccc(C#N)c1 590676072 XPRIYWGJBSWICG-GDZNZVCISA-N 270.376 3.562 30 20 CHED Fc1ccc(F)c(CNN=Cc2c(F)cccc2Cl)c1 915979465 UMPYRYQENWMOLL-UHFFFAOYSA-N 298.695 3.881 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 593399531 HPYQVZKZIKMKJZ-WDEREUQCSA-N 298.308 3.775 30 20 CHED N#Cc1cnnc(S[C@H]2CCCc3ccccc32)c1 596161871 MFSHLJSBWMPOCL-AWEZNQCLSA-N 267.357 3.518 30 20 CHED Cc1ccc(CNCc2cc(C#N)ccc2F)c(C)c1 742381739 GXGMGEWPYQOBRD-UHFFFAOYSA-N 268.335 3.604 30 20 CHED C=CCCCC(=O)O[C@@H](C(=O)c1ccccc1)C(C)C 748233924 LPHONBQYDIHCTC-QGZVFWFLSA-N 274.360 3.793 30 20 CHED CCOc1cccc(/C=N\[C@H](C)c2cccc(C#N)c2)c1O 743501766 RCCAJGDNOCIRLF-UAAGNOOKSA-N 294.354 3.843 30 20 CHED C=CCCCCCOC(=O)c1ccc(C(F)F)nc1 848814963 MSMRLBBTULZRFN-UHFFFAOYSA-N 269.291 3.922 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OC/C(Cl)=C\Cl 848798523 RQBGHACSYSKTKA-SRMXYGTFSA-N 298.169 3.599 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cccc(OCC)c1)C(C)C 745286990 YVZVDPVRCQTQDE-AWEZNQCLSA-N 290.407 3.752 30 20 CHED CCS[C@@H]1CCC[C@@H]1N[C@H](C#N)c1ccccc1 595483916 JPBGUAYCIBCVLN-RRFJBIMHSA-N 260.406 3.515 30 20 CHED N#Cc1ccccc1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 598797010 GEYXLFHCRUAYNA-ZIAGYGMSSA-N 268.360 3.713 30 20 CHED O=Cc1ccc(OCC#Cc2ccc(Cl)cc2)cc1 749136639 YRRNIQBVFDPSAC-UHFFFAOYSA-N 270.715 3.583 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccccc2OCC)c1 844256979 GPAWJCRFJSQGSG-UHFFFAOYSA-N 296.395 3.876 30 20 CHED C[C@H](N[C@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)cc1 595081949 UTXRPPOIWCIJSV-YJBOKZPZSA-N 297.446 3.616 30 20 CHED Cc1cc(O)c(CN[C@H](C)c2cccc(C#N)c2)cc1C 743495719 IGWVANVJNFZJSO-CQSZACIVSA-N 280.371 3.732 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)Nc1c(C)cccc1C 748233905 LJLVUTDKSVYANK-CQSZACIVSA-N 289.375 3.530 30 20 CHED CCCCN(Cc1ccccc1O)c1ncc(C#N)cc1F 840298457 JYFPBCIMNBTJLV-UHFFFAOYSA-N 299.349 3.605 30 20 CHED CCCCOC(=O)[C@@H](C)Sc1ccc(C#N)cc1F 742454519 VDLJFJHQVZQSPR-SNVBAGLBSA-N 281.352 3.521 30 20 CHED C=CCCOC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 744049799 YDCALRXDSPDZHD-UHFFFAOYSA-N 297.276 3.930 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 920385664 FNMIIJVIHAJTKT-CYBMUJFWSA-N 296.370 3.533 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 845624596 XAUSAXLMHNZGTE-OAUYIBNBSA-N 296.370 3.501 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] 920385940 LMDWVBWXCOSZOR-LBPRGKRZSA-N 283.331 3.670 30 20 CHED Clc1ccc(-c2ccc(C=Nn3cnnc3)s2)cc1 751326558 PMLLTEHGEURWLA-UHFFFAOYSA-N 288.763 3.542 30 20 CHED C#CCCOC(=O)c1cc(C2CC2)nc2ccc(C)cc12 751832915 VQGFSPPSYXJTJV-UHFFFAOYSA-N 279.339 3.601 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(F)cc1C#N 759006673 HQPBFVTVKWGEKM-UHFFFAOYSA-N 273.307 3.509 30 20 CHED COc1cccc2[nH]cc(CCN[C@H](C)CC(C)(C)C#N)c12 926112485 WICVURVMGPOTNF-CYBMUJFWSA-N 299.418 3.637 30 20 CHED CC(CCCc1cccnc1)=NNc1ccnc(Cl)c1 853395434 XFDWCPJICASJQX-UHFFFAOYSA-N 288.782 3.941 30 20 CHED FC(F)(F)C(=NOCc1ccccn1)c1ccccc1 751952937 UGSMYARAEWAAIT-UHFFFAOYSA-N 280.249 3.565 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H]1c1c(C)cccc1C 852278300 VZCYCJZJANDLGG-CVEARBPZSA-N 284.403 3.562 30 20 CHED O=C1/C(=C/c2ccccc2)COc2c(F)cc(F)cc21 920066758 XMZZJFSEVYHXJF-IZZDOVSWSA-N 272.250 3.624 30 20 CHED C#CCCOC(=O)Oc1ccc(C2CC2)cc1Cl 859169678 PDRAVFYYJPZBTK-UHFFFAOYSA-N 264.708 3.756 30 20 CHED CO[C@@H](C=NNc1ccnc2cc(Cl)ccc12)C1CC1 853259433 ZNQDXVRDPBUBDW-HNNXBMFYSA-N 289.766 3.711 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1c(C)n[nH]c1C)C2=O 752883726 CEVPNENGZZFTFJ-VGOFMYFVSA-N 270.357 3.664 30 20 CHED Cc1ccc(O[C@H](C)C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851214493 ZYEDJQDSGGTLRK-ZIAGYGMSSA-N 289.375 3.634 30 20 CHED C[C@H]1CC/C(=C/C(=O)Nc2sc3c(c2C#N)CCC3)C1 753624086 RUDRXYRRDVTVEW-DFYQSJSGSA-N 286.400 3.793 30 20 CHED CCCCCCCCNC(=O)Nc1cc(C)c(C)nn1 754962043 MRYULLRNEVGYRX-UHFFFAOYSA-N 278.400 3.575 30 20 CHED CC(C)(C#N)CCCn1cc(NC(=O)OC(C)(C)C)cn1 853737760 MPQLUOAQXSGXLK-UHFFFAOYSA-N 292.383 3.560 30 20 CHED Clc1cc(CON=CC2CC2)c2ncccc2c1 853735294 QOQXPCQRGUNZSI-UHFFFAOYSA-N 260.724 3.801 30 20 CHED COc1cc(C(=O)O)ccc1NN=CC1CCCCCC1 756901040 GUSVBUSSLGCIDX-UHFFFAOYSA-N 290.363 3.762 30 20 CHED CCCCCCCCNC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 857859672 GOZKYEDCTIAZRB-DZGCQCFKSA-N 291.439 3.552 30 20 CHED C#CCOc1ccccc1CNc1ncc(C(C)C)s1 754031712 WQGORJCYBSEWGA-UHFFFAOYSA-N 286.400 3.891 30 20 CHED CCCCCC[C@@H](C)NN=C(C)c1cc(O)cc(O)c1 753710104 UUNCYDTWIOQRPA-GFCCVEGCSA-N 278.396 3.770 30 20 CHED COc1cc(C(C)=NOCC(C)C)ccc1OC(F)F 754279038 CAKYLAVFXPRZPG-UHFFFAOYSA-N 287.306 3.693 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1cncc2ccccc12 759861135 DCWAEZSVKNHMAL-MDZDMXLPSA-N 299.333 3.758 30 20 CHED CCCOc1ccc(NC(=O)C#CC(C)(C)C)cc1F 863533183 CJZOYRKLXZSXOY-UHFFFAOYSA-N 277.339 3.603 30 20 CHED N#Cc1ccccc1SCC1(Br)CC1 863307722 CXPNFHPSSYFNNJ-UHFFFAOYSA-N 268.179 3.578 30 20 CHED COc1ccc(C(=O)OCCCCC(C)(C)C#N)c(C)c1 768727006 CBVVKCKQFMZCDG-UHFFFAOYSA-N 289.375 3.881 30 20 CHED C=CC[C@@H](NC(=O)[C@H](F)c1ccccc1)c1ccncc1 769375286 KOOMVBADLVMFHV-HZPDHXFCSA-N 284.334 3.526 30 20 CHED C/C(=C/C1CCC(C)CC1)C(=O)NCC1(CC#N)CC1 867978250 YCSHHNJFTUCNNS-KAMYIIQDSA-N 274.408 3.569 30 20 CHED CSCCCCC(=O)O[C@@H](C#N)C1CCCCC1 776388209 XUKQCRKHOIEXCK-ZDUSSCGKSA-N 269.410 3.535 30 20 CHED CCCCCCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 769896259 GMSQGTINMKAVDU-CHWSQXEVSA-N 281.362 3.592 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C\c2ccco2)CCCC1(C)C 767218847 LDBNRIRDHCKQGJ-KVPUOBJLSA-N 273.376 3.886 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2c(c1)N(CCCC)CC2 767099609 ZNABRJDDIYIBKL-UHFFFAOYSA-N 298.430 3.837 30 20 CHED Fc1cc(F)c(C=NNc2ccccc2)cc1F 767744430 PSLXOWWJTYODKF-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C=CCN(C(=O)NC1CCC(C(C)C)CC1)C(C)C 764375915 RWWUEHLFCINSKR-UHFFFAOYSA-N 266.429 3.807 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccc(Cl)nc2)no1 867165343 XNDPYZXRWIDCKW-UHFFFAOYSA-N 277.755 3.563 30 20 CHED CCc1oc2ccccc2c1CC(=O)O[C@H](C#N)C(C)C 860518399 LEBJMNHQRSEIPE-MRXNPFEDSA-N 285.343 3.629 30 20 CHED CC#CCCOC(=O)[C@H](C)CSCc1ccccc1 760290264 WKTTULBJGCMHOJ-CQSZACIVSA-N 276.401 3.513 30 20 CHED C/C(C=NN1CCc2ccccc2C1=O)=C\c1ccccc1 769597379 GWOGWDFYOSKCSC-SHQWNLCCSA-N 290.366 3.774 30 20 CHED C#CCN(Cc1csc(Cl)c1Cl)C1CC1 763195180 QACRJCZUMWCCND-UHFFFAOYSA-N 260.189 3.653 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(Cl)c(F)c1)OCC 761911121 BQGYQSLPWJIHRG-CYBMUJFWSA-N 286.730 3.756 30 20 CHED C[C@H](NCc1ccc(Cl)nc1)c1ccc(C#N)c(F)c1 776731118 VWCHFKHGZMKKDE-JTQLQIEISA-N 289.741 3.597 30 20 CHED CC(C)CO[C@H]1CC(=NNc2cc(Cl)ccn2)C1(C)C 777905577 MSZOZAFGAWCBEK-ZDUSSCGKSA-N 295.814 3.974 30 20 CHED O=C(/C=C\c1ccc(Cl)c(F)c1)c1cscn1 776192343 OUVJIAUPRYVEIR-RQOWECAXSA-N 267.712 3.832 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccccc1SC(C)C 775521289 GKKCZQYEKULGQM-UHFFFAOYSA-N 276.405 3.720 30 20 CHED C#CCCCCCC(=O)N(C)[C@H]1CC[C@H](SCC)C1 779968617 WCHLJBRVQILJEV-GJZGRUSLSA-N 281.465 3.703 30 20 CHED C[C@@H]1CCC[C@@H](CN2CCO[C@H](c3cccc(C#N)c3)C2)C1 771453711 FIUGPDLEHNLJHT-SUMDDJOVSA-N 298.430 3.758 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)s1 776729106 PMPCLCWUNUQILY-AATRIKPKSA-N 282.299 3.527 30 20 CHED C=CCC1(C(=O)OC2CCSCC2)CCCC1 873556065 QNNZGZPCNQKGHC-UHFFFAOYSA-N 254.395 3.562 30 20 CHED CC(C)n1cc(/C=C2\CCc3ccc(F)cc3C2=O)cn1 776192089 HWZWRGSZXSJSOW-VGOFMYFVSA-N 284.334 3.816 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2ccc(F)nc2)cc1C 777467625 LWTCRHJATXBIEN-XQRVVYSFSA-N 285.318 3.742 30 20 CHED N#Cc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1F 770571655 GYBZVSULFRBVKP-XGICHPGQSA-N 281.261 3.659 30 20 CHED C=C(C)CCN1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 775601513 CRDFTYFOLOOWCU-HLLBOEOZSA-N 259.393 3.803 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1ncc(C(F)(F)F)cc1Cl 1122829106 QXAZRPKUDMHTEG-SSDOTTSWSA-N 293.672 3.875 30 20 CHED C=C(C)CCC(=O)NCCCc1c[nH]c2ccc(F)cc12 1120735269 WSXRSOKVMBHLDL-UHFFFAOYSA-N 288.366 3.712 30 20 CHED C#CCOc1ccccc1NCc1ccc(OCC)c(F)c1 785511492 KLJKTSPEHHAAQR-UHFFFAOYSA-N 299.345 3.849 30 20 CHED Clc1ccc([C@H]2CCCC2=NN[C@@H]2CCCOC2)cc1 780259590 AWKBFIDTIMFNBT-HUUCEWRRSA-N 292.810 3.732 30 20 CHED C=CCCCCCOC(=O)CC[C@H]1CC[C@@H](C)O1 783942836 HIBMOZDXYUFIEI-ZIAGYGMSSA-N 254.370 3.624 30 20 CHED Cc1cc(C=NNc2cccc(C(F)(F)F)c2)sn1 785451956 SAGHKRYBCYWOBS-UHFFFAOYSA-N 285.294 3.916 30 20 CHED Cn1c([C@H](C#N)C(=O)[C@@H]2CCC(C)(C)C2)nc2ccccc21 781752130 VIFBGDJDSQIPHR-CHWSQXEVSA-N 295.386 3.576 30 20 CHED CC1(C)CC[C@H](C(=O)OCc2ccc(CC#N)cc2)C1 781828127 XLRXFZDCAZPFSJ-HNNXBMFYSA-N 271.360 3.622 30 20 CHED CC(C)[C@@H](C#N)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786384838 YZGUUAZSLZHJEN-BLLLJJGKSA-N 284.359 3.753 30 20 CHED CC(C)(C)CCNN=Cc1cc(Cl)ccc1[N+](=O)[O-] 782908798 ZQJHWLVCLLZWMN-UHFFFAOYSA-N 283.759 3.608 30 20 CHED CC[C@H](C)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 409445848 CAECVTFUBCFEIP-UAGQMJEPSA-N 256.393 3.804 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2cncs2)cc1 787172977 UHSCNTPKFHYIFZ-VOTSOKGWSA-N 295.367 3.738 30 20 CHED C=C1CCN(C(=O)N[C@H](CC)c2ccc(OC)cc2)CC1 891582198 OVNBYZKWQAHXKD-MRXNPFEDSA-N 288.391 3.508 30 20 CHED C[C@H]1CCCC(=NNc2nnc(-c3ccccn3)s2)C1 788031302 CXWMFOCEJOETTF-JTQLQIEISA-N 287.392 3.578 30 20 CHED CC(C)(C#N)COC(=O)c1[nH]c2ccccc2c1Cl 781467110 YQHYTQXEGORWDV-UHFFFAOYSA-N 276.723 3.528 30 20 CHED C#CCC1(C(=O)N2CCC[C@H]3CCC[C@H]32)CCCCC1 788450933 WWDZMJFVYGOYND-HZPDHXFCSA-N 273.420 3.751 30 20 CHED C#CCCCCCC(=O)OCc1ccc(F)cc1F 780262414 BIZZFOLWHARHBE-UHFFFAOYSA-N 266.287 3.592 30 20 CHED N#CCc1ccc(CN2CCCCCCCC2)cc1 399224025 LWOOBRXPSDLRLN-UHFFFAOYSA-N 256.393 3.909 30 20 CHED N#CCCCOc1cccc(N[C@H]2CC[C@H]2C2CC2)c1 554370452 QRHJUZZIQPCUKK-IRXDYDNUSA-N 270.376 3.970 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)o1)c1ccc(C)cc1 796799428 BYURWHNRBCCLHR-AWEZNQCLSA-N 269.300 3.768 30 20 CHED CC[C@H](CNC(=O)c1ccc(C)c(C#N)c1)c1ccccc1 799298741 IRTXXCPELIFRTH-OAHLLOKOSA-N 292.382 3.790 30 20 CHED CSCCON=C(C)c1sc(C(C)C)nc1C 794574113 VVNFXVWUCBBGIG-UHFFFAOYSA-N 272.439 3.679 30 20 CHED COc1ccc(/C=C2/CCc3ccc(O)cc3C2=O)cc1C 794960404 RJTNFTHOZXEYHV-GDNBJRDFSA-N 294.350 3.922 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 593636200 KYJQPIQTIICGHT-HZSPNIEDSA-N 264.413 3.647 30 20 CHED CCC(Cc1cccs1)=NNCCC(F)(F)F 794548093 PCXZKRPDIIRNDP-UHFFFAOYSA-N 264.316 3.599 30 20 CHED C=C(C)CCOC(=O)Cc1cccc(C(F)F)c1 790784125 MEAKDGLNAPVIMC-UHFFFAOYSA-N 254.276 3.676 30 20 CHED C=CC[C@@H](CC)NC(=S)NCCSc1ccccc1 798375944 PEJZZVVFUCAWHQ-CYBMUJFWSA-N 294.489 3.598 30 20 CHED COCCC(=NNc1ncnc(Cl)c1C(C)C)C(C)C 797404662 IASHDHDXHYEQIW-UHFFFAOYSA-N 298.818 3.714 30 20 CHED CC[C@H]1CCCN(c2c(F)cc(C#N)cc2F)CC1 83704188 HICVGJXECHGWCH-NSHDSACASA-N 264.319 3.853 30 20 CHED CC(C)[C@@H]1CCC[C@H]1NCc1ccc(OCC#N)cc1 772961057 YITSIPGLDMLIES-DLBZAZTESA-N 272.392 3.503 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@H]2Cc2ccccc2)C1 1308830268 SKYOFBBHPVOBPW-FJIDUMEYSA-N 268.404 3.680 30 20 CHED Cc1cc(NCC(C)(C)c2ccccc2)ncc1C#N 1163686544 XWSLFTACYFOOHO-UHFFFAOYSA-N 265.360 3.651 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1c(C)noc1C)C2=O 1318058370 VCMNYEIPMGJLQX-QPEQYQDCSA-N 283.327 3.567 30 20 CHED C=C(C)CCOC(=O)c1csc(-c2ccco2)n1 1322083447 TXNVLIVKJAYZGB-UHFFFAOYSA-N 263.318 3.526 30 20 CHED Cc1cc(C#N)cc(NCc2cccc3c2CCC3)c1 1658123394 VDZRPRRFLDQGDJ-UHFFFAOYSA-N 262.356 3.968 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 1329033431 AIYSEVKJUHIIJN-IHVVCDCBSA-N 297.185 3.767 30 20 CHED N#Cc1c(F)cccc1N1CC2(CC2)c2ccccc21 1186166688 KIUHUCXSQFEDBI-UHFFFAOYSA-N 264.303 3.881 30 20 CHED C=CCC1(c2nc(-c3cccnc3O)no2)CCCCC1 1332053705 NSZXDKMANVINTO-UHFFFAOYSA-N 285.347 3.615 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 1337203797 BTTJGKXXLDXIOY-SNVBAGLBSA-N 291.782 3.750 30 20 CHED C=C(CNC(=O)N[C@@H](CC)[C@@H]1CC1(C)C)c1ccccc1 1251694841 POEQWHYTGYKCDY-HOTGVXAUSA-N 286.419 3.824 30 20 CHED CC[C@@H](NCc1cnc(C)s1)c1cccc(C#N)c1 1331965551 QGNSFVDVBHCHFC-OAHLLOKOSA-N 271.389 3.564 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H]1CCCCC1(F)F 1336758603 GRAZAVZFKIPFBW-STQMWFEESA-N 271.351 3.769 30 20 CHED CON(CC1(C#N)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 1335127934 LLEWEELACOPIPB-NSHDSACASA-N 298.308 3.934 30 20 CHED Cc1cn(CC(=O)O[C@@H]2CCC[C@H](C#N)C2)c2ccccc12 1331158117 PHKJBGIXEPHKKQ-LSDHHAIUSA-N 296.370 3.575 30 20 CHED C#CCC1(C(=O)N(C)[C@H]2CC[C@@H](SC)C2)CCCCC1 1343482121 XDOXLXUIEKXEGZ-LSDHHAIUSA-N 293.476 3.703 30 20 CHED N#CC[C@@H](OC(=O)[C@H]1CSc2ccccc21)c1ccco1 1345548817 XYDFHYCUWSFRQT-GXTWGEPZSA-N 299.351 3.667 30 20 CHED CCc1cc(C(=O)OCC2(C#N)CCCC2)cc(Cl)n1 1344626150 BQOPTHGNDAGTPH-UHFFFAOYSA-N 292.766 3.538 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@H](C)c1sc(C)nc1C 1263728201 KFMSSBXIDYOTHA-GFCCVEGCSA-N 280.437 3.882 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C2CCCC2)oc2c(C)cccc12 1262108165 IFPKIIUBIGIKJE-OAHLLOKOSA-N 296.370 3.862 30 20 CHED CC[C@H](CNC(=O)c1ccsc1C#N)c1ccccc1 1264870501 OLSKDHNTDPQEQU-GFCCVEGCSA-N 284.384 3.543 30 20 CHED Cc1ccc(Cl)cc1C(=O)O[C@H]1CCC[C@H](C#N)C1 1275465117 SEZVHPFKTSUFQM-AAEUAGOBSA-N 277.751 3.888 30 20 CHED Cc1ccc2sc(NC(=O)c3ccc(C#N)o3)nc2c1C 1438475712 VNZXBRFBFYESLQ-UHFFFAOYSA-N 297.339 3.630 30 20 CHED C=C(C)CCC(=O)N(C)c1cc(Cl)ccc1C#N 1517768770 DABRIVVEQMHIOK-UHFFFAOYSA-N 262.740 3.531 30 20 CHED Cc1cccc(NC(=O)c2ccsc2C#N)c1Cl 1360906199 OHHVSYKOYSSAHE-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1csc(C#N)c1 1529824709 ONJZEWJPPQLPFI-IUODEOHRSA-N 290.432 3.954 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(OCC#N)cc1 1520181831 QOQZYYWPHPQMIB-OAHLLOKOSA-N 299.374 3.551 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1462286722 ZCZBKFZWIJHKNR-PWSUYJOCSA-N 292.329 3.991 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1cc(C#N)c(F)cc1F 1462285160 PRSHCFDXLUOLEK-UWVGGRQHSA-N 278.302 3.601 30 20 CHED CN(C(=O)c1sccc1C#N)c1nsc2ccccc12 1531638208 KFMDENKMODLENO-UHFFFAOYSA-N 299.380 3.506 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1ccccc1Cl 1602231179 SWWABGGQBALAAH-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2cc3ccccc3o2)n1 1472757844 XLEOVAAQJDDDEN-SNVBAGLBSA-N 278.315 3.576 30 20 CHED N#Cc1cccc(OCc2cccc(Cl)c2F)c1 228018910 CRFXEUMPVBNYJN-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1 20035414 YFLYDCYYGDZHCF-GFCCVEGCSA-N 254.308 3.548 30 20 CHED CC[C@@H]1CCCC[C@H]1CNc1nnc(C)c(C)c1C#N 1639973207 SOTGOSPIZGGPJP-KGLIPLIRSA-N 272.396 3.593 30 20 CHED C=CCCN[C@@H](C)c1cc(Br)cs1 229855817 BIWPKEXBWAAWSZ-QMMMGPOBSA-N 260.200 3.737 30 20 CHED Cc1cc(C#N)cc(N[C@H]2C[C@H](OC(C)C)C2(C)C)c1 1560884790 HLQBWSXXVSZHQU-HOTGVXAUSA-N 272.392 3.871 30 20 CHED Cc1ccc(CCSc2cccnc2C#N)cc1 1641128112 ACHIQTJZXGZEEK-UHFFFAOYSA-N 254.358 3.597 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(-c3cccc(C#N)c3)n2)C1 230997532 SLIPDIPTTFARKA-DGCLKSJQSA-N 267.332 3.902 30 20 CHED Cc1nc(N[C@@H]2CCC[C@H](C3CC3)C2)ccc1C#N 1651964934 YPHIBSOMDGSBOW-DZGCQCFKSA-N 255.365 3.642 30 20 CHED C[C@H]1CCCC[C@@]1(C)NCc1ccc(F)cc1C#N 1658910329 VGJWQDWZUCMNQO-BLLLJJGKSA-N 260.356 3.756 30 20 CHED CC[C@@]1(C)CCN(c2c(Br)cccc2C#N)C1 1655271183 WRZNPVUMFYCGSL-AWEZNQCLSA-N 293.208 3.947 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C)cc(C#N)c1 1662637500 HDMWXNBDZXJNEC-GDBMZVCRSA-N 285.391 3.957 30 20 CHED Cc1cc(OCCCC(C)(C)C#N)c(F)cc1[N+](=O)[O-] 123447669 RRALGONBFORTGD-UHFFFAOYSA-N 280.299 3.751 30 20 CHED CCCC[C@H](SCc1ccc(C#N)cc1C)C(=O)O 1595657617 OUEHQQKTSNACOW-AWEZNQCLSA-N 277.389 3.743 30 20 CHED C=CCCCCCCCCNc1ncc(C(=O)O)c(C)n1 1776207909 HTHCDQKVTXBXAG-UHFFFAOYSA-N 291.395 3.812 30 20 CHED Cc1cccc2c1CC/C(=C/c1cccc(C(=O)O)c1)C2=O 1777457208 FIGOCDLDLDKKLJ-UVTDQMKNSA-N 292.334 3.906 30 20 CHED C=CCCN(C)c1c(C(=O)O)cnc2c(C)cc(C)cc12 1776174648 HZYNPLRHXFLTMF-UHFFFAOYSA-N 284.359 3.562 30 20 CHED C=C(Br)CCN(CC)c1cccc(C(=O)O)c1 1776136681 QQXGZEXOEYJGOL-UHFFFAOYSA-N 298.180 3.510 30 20 CHED CCc1cccc(C)c1NN=Cc1cccc(C(=O)O)c1 1776056636 GENGALOQGHTFBJ-UHFFFAOYSA-N 282.343 3.702 30 20 CHED Cc1c(NN=C2C[C@H]3[C@H](C2)C3(C)C)cccc1C(=O)O 1776089222 IBEKYBPYGJUDQG-STQMWFEESA-N 272.348 3.527 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 14905834 RERQZHVOVVYLGV-PXAZEXFGSA-N 277.323 3.787 30 20 CHED C=C(C)CSCc1nc([C@@H](C)SCC)no1 161904736 OYYQTPPUUSZKRJ-SECBINFHSA-N 258.412 3.693 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2cccc(F)c2)c1 206973980 MSHIVKDTRWHFMV-FPLPWBNLSA-N 251.260 3.593 30 20 CHED C=C(Cl)CNCc1cc(Cl)cc(Cl)c1OC 164166433 LAOWZMFFMRHPKA-UHFFFAOYSA-N 280.582 3.844 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H]1CC[C@H](SCC)C1 151032699 FLEKSUKTIRPSRJ-GJZGRUSLSA-N 281.465 3.887 30 20 CHED N#CC1(C(=O)Nc2nccc3sccc23)CCCCC1 156051193 NDHASQWDTQEBJD-UHFFFAOYSA-N 285.372 3.709 30 20 CHED CC[C@@H](O)COc1ccc(Oc2ccc(C#N)cc2)cc1 157041600 DXKHRHMSFVLOSP-CQSZACIVSA-N 283.327 3.500 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1c1cccc(Cl)c1 156211962 YSHQNROARKQSDA-AWEZNQCLSA-N 278.783 3.763 30 20 CHED Cc1ccnc(N2CCC[C@H](C(C)C)CC2)c1C#N 135080745 SRGKMSVSGQVKGG-AWEZNQCLSA-N 257.381 3.524 30 20 CHED N#Cc1cccc(Br)c1N[C@@H]1CCCSC1 1163390307 LONWLSBPYAXHOC-SNVBAGLBSA-N 297.221 3.628 30 20 CHED N#Cc1cc2ccccc2nc1NCCCC(F)(F)F 135818236 ZKPCKUVQNROVCG-UHFFFAOYSA-N 279.265 3.861 30 20 CHED C=CCNC(=O)Nc1ccccc1Oc1ccccc1 43348737 UYWCUFRFVLBDMF-UHFFFAOYSA-N 268.316 3.786 30 20 CHED C=CC[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 166146421 CTIJKBUCCSEUID-YOEHRIQHSA-N 252.361 3.725 30 20 CHED Cc1cccc(Sc2ccc([N+](=O)[O-])cc2C#N)c1 49389858 WXPDVTOAGSHKGP-UHFFFAOYSA-N 270.313 3.926 30 20 CHED CCCCCCCCOCC(=O)Nc1ccc(N)cc1 59083117 GJONDJZWAUGCRM-UHFFFAOYSA-N 278.396 3.584 30 20 CHED N#Cc1sc(N[C@@H](C2CCC2)C2CC2)nc1Cl 324804181 QIVVBRLEDFLJJE-JTQLQIEISA-N 267.785 3.659 30 20 CHED CS[C@@H]1CC[C@@H](N(C)c2nc(C)c(C#N)cc2Cl)C1 707248695 ICXDVSKTBXQXDR-VXGBXAGGSA-N 295.839 3.635 30 20 CHED Cc1nsc(NCCC2CC(OC(C)(C)C)C2)c1C#N 588033820 LXMDLGKMLZDHGH-UHFFFAOYSA-N 293.436 3.719 30 20 CHED C#C[C@](C)(CC)NC(=O)c1cccc(Cl)c1Cl 384238754 ZZBVCMQZZWXEKP-CYBMUJFWSA-N 270.159 3.525 30 20 CHED CC(C)C[C@H]1CCCN1Cc1cc(F)ccc1C#N 396769488 CUCUGFVFTRQRHI-MRXNPFEDSA-N 260.356 3.708 30 20 CHED C=CCOC(=O)CCCSc1ccc(Cl)cc1 916593902 REMTZXBIGSPYDV-UHFFFAOYSA-N 270.781 3.942 30 20 CHED Cc1csc(SCc2ccc(CC#N)cc2)n1 398999962 BNDFCUXRHAWVHZ-UHFFFAOYSA-N 260.387 3.810 30 20 CHED CC[C@H](CC#N)NCc1cccc(C)c1Br 930693063 LLWUYXJJHIOJAZ-GFCCVEGCSA-N 281.197 3.539 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccccc1C(=O)O 833375600 AXHARBKOUAAKLB-UHFFFAOYSA-N 281.355 3.573 30 20 CHED CC(C)C1CN(c2cc(Br)c(C#N)cc2F)C1 1162828413 SYFHFNQWTVJCME-UHFFFAOYSA-N 297.171 3.552 30 20 CHED CSc1ccc(C(=O)/C=C/c2cccnc2)cc1 3929785 VTZPQDKZBLAQPR-RUDMXATFSA-N 255.342 3.700 30 20 CHED Cc1cc(SCCC(F)(F)F)c(C#N)cc1[N+](=O)[O-] 413267092 MOAIBRKLFQQPRI-UHFFFAOYSA-N 290.266 3.819 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c(C)c1 106419462 UYUWCJBXFSFZFI-MRXNPFEDSA-N 298.773 3.952 30 20 CHED Cc1ccccc1C[C@H](C)NC(=O)C1(C#N)CCCCC1 57396228 JCPJREWQBVNYLD-HNNXBMFYSA-N 284.403 3.516 30 20 CHED CCC[C@H](C)OC(=O)CSCc1ccc(C#N)cc1 177767256 WOXGQWYZSGWPPL-LBPRGKRZSA-N 277.389 3.523 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CCCC2(C)C)cc1 171076238 SRKLPIYGFMJLNA-UHFFFAOYSA-N 285.391 3.894 30 20 CHED C#CCCCCC(=O)NCC(C)(C)c1ccc(C)cc1 119802928 YIBZVTRSQXYTMC-UHFFFAOYSA-N 271.404 3.582 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CC=CCC1)c1ccccc1 179502560 ONSUSYKAFNIJSE-GDBMZVCRSA-N 255.361 3.571 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc(CC)c(C)s1 176986868 GJQQPTFCMCQBLJ-UHFFFAOYSA-N 264.394 3.721 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)CCO2 172434983 YQHRIVBVRYPDFB-UHFFFAOYSA-N 288.391 3.832 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccc(F)cc1 174264636 SRPZUDPBDGMTBT-UONOGXRCSA-N 298.361 3.815 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1(C#N)CCC1 119399896 SGCIJUOMNLLBHN-AWEZNQCLSA-N 284.403 3.553 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2ncccc2C#N)cc1 301471531 TXVCVONKCXAYSA-UHFFFAOYSA-N 279.387 3.676 30 20 CHED C=C(C)CNC(=S)N(C)c1cccc2ccccc12 63671713 PRLPMVOLZAMBMQ-UHFFFAOYSA-N 270.401 3.727 30 20 CHED CN(C)[C@H](CNc1cccc(F)c1C#N)C1CCCCC1 60355828 UPLVUVRAMQPQBJ-QGZVFWFLSA-N 289.398 3.620 30 20 CHED CC[C@H](NCC(C)(C)CCC#N)c1nc(C)cs1 174359535 FPWYPJIMULUNKC-LBPRGKRZSA-N 265.426 3.822 30 20 CHED CCN(C(=O)c1sccc1C)c1ccc(C#N)cc1 174069979 HWBAVWDJKNJPDA-UHFFFAOYSA-N 270.357 3.595 30 20 CHED CN(C(=O)C1(C#N)CCCC1)c1ccc2ccccc2c1 24464069 NXDOYSSIJOHSOH-UHFFFAOYSA-N 278.355 3.887 30 20 CHED Cc1cc(F)c(CNc2cc(F)cc(C#N)c2)c(F)c1 600859480 ADQGALKZJQNODK-UHFFFAOYSA-N 276.261 3.896 30 20 CHED CN(CCC#N)c1ccc(CN[C@H]2CCCC2(C)C)cc1 175868265 LEPLCGXWGXTWNC-KRWDZBQOSA-N 285.435 3.705 30 20 CHED Cc1cnc(CNc2ccc(OC(C)C)c(C#N)c2)s1 179971359 OQJFYZXRBSLIAT-UHFFFAOYSA-N 287.388 3.723 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc(F)c(F)c(F)c1 178392824 VJRKQPHHOLKSLP-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC[C@@H]1CCCCN1C(=O)Nc1cccc(C#N)c1C 178569648 JXNOCSYMKBXPTG-CQSZACIVSA-N 271.364 3.663 30 20 CHED COc1ccccc1Sc1c(C#N)cccc1C#N 302906664 XADFZCRWCOZBLE-UHFFFAOYSA-N 266.325 3.590 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(C(=O)OC)cc2)no1 124631597 UYZNBJGZDONYCS-UHFFFAOYSA-N 298.342 3.759 30 20 CHED N#Cc1csc(CNCC2(c3ccc(F)cc3)CC2)c1 177686436 MWSQJFIILZBUBZ-UHFFFAOYSA-N 286.375 3.580 30 20 CHED C=C(Br)CN[C@H](C)c1ccc(SC)cc1 128661374 SUUDYYHPQDAGPT-SNVBAGLBSA-N 286.238 3.968 30 20 CHED Cc1ccccc1O[C@H](C)CNc1ccc(C#N)cc1 301475815 WJKOJEZMYMKZTB-CQSZACIVSA-N 266.344 3.746 30 20 CHED N#Cc1c(Cl)nsc1NCCc1cc(F)cc(F)c1 301134135 WLXFVRXRHBPZAV-UHFFFAOYSA-N 299.733 3.601 30 20 CHED CCSCC[C@H](C)N(C)Cc1cc(C#N)ccc1OC 126819888 IURTXFFOFZFJTN-ZDUSSCGKSA-N 292.448 3.530 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCC[C@H](C)C1 185772171 ZXDOWGUAPVIMDX-UONOGXRCSA-N 252.402 3.563 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cc3c(cc2Cl)OCO3)C1 185876499 JZRZBWXOHAOLTK-UWVGGRQHSA-N 278.739 3.563 30 20 CHED Oc1ccccc1/C=N/CCOc1ccccc1Cl 129613212 PYGCLHUTSONWJB-GZTJUZNOSA-N 275.735 3.544 30 20 CHED C=CCC[C@H](NCCCc1nc(C)cs1)C1CC1 120859308 AUWSJQXQPPJWRV-AWEZNQCLSA-N 264.438 3.719 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 185851418 YVLSJZDNWADSRB-PNBKFKSVSA-N 256.393 3.851 30 20 CHED COc1ccc(OCCCSCC2(C#N)CCC2)cc1 419363725 QYQSUMYMHPQPPS-UHFFFAOYSA-N 291.416 3.891 30 20 CHED CCn1c(S[C@@H](C)CCC#N)nnc1-c1cccs1 188182753 RKGPTIMNYGNKGN-JTQLQIEISA-N 292.433 3.811 30 20 CHED Cc1cc(Oc2ccccc2C#N)ccc1[N+](=O)[O-] 37987972 YXBSMFZOUDBWHY-UHFFFAOYSA-N 254.245 3.567 30 20 CHED N#Cc1cc(NC(=O)/C=C\c2cccs2)ccc1Cl 210165866 WTTFUDWTIOENCK-XQRVVYSFSA-N 288.759 3.925 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@H]1C=CCCC1 188724773 ZMSAIUCGAMZDET-ZDUSSCGKSA-N 254.333 3.552 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCCCSCC#N 181447732 LGJFLJIZJFKRTR-RBSFLKMASA-N 268.470 3.684 30 20 CHED C[C@@H]1CN([C@H](C)CCC#N)CC[C@@H]1c1ccccc1 411308268 ICRHIGMWIHHLGB-INMHGKMJSA-N 256.393 3.804 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H]1c1ccccc1 361386411 ZZTITDJOZHXCBT-QGZVFWFLSA-N 266.319 3.644 30 20 CHED N#Cc1ccc(Sc2ncccc2Br)cc1 79426268 UJTRFLHIGOLJOI-UHFFFAOYSA-N 291.173 3.867 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ccc(F)cc2C#N)C1 78267217 HWFXARSDZZQDLL-QWHCGFSZSA-N 264.369 3.783 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N[C@H](C)c1ccc(C#N)cc1 500846105 NVPJUJVEWKWWPY-OEUWWYETSA-N 299.418 3.743 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)C1CCCCC1 501266738 OSZZVJUKWXJRKS-UHFFFAOYSA-N 272.392 3.721 30 20 CHED CC(C)C[C@@H](CNc1cccc(Cl)c1C#N)N(C)C 603845746 KMFYJKUNLWXEMO-LBPRGKRZSA-N 279.815 3.600 30 20 CHED CCOC(=O)[C@H](CC)S[C@@H](C)c1cccc(C#N)c1 189854061 XUUHXOJXEBFDOY-FZMZJTMJSA-N 277.389 3.694 30 20 CHED N#Cc1csc(CNC[C@H]2CCC[C@H]2C2CC2)c1 414486934 RLISCQAKOFHWKA-HIFRSBDPSA-N 260.406 3.536 30 20 CHED CN(CCCNc1ccc(C#N)cc1F)c1ccccc1 37507384 JCQFVWWJRGNDBG-UHFFFAOYSA-N 283.350 3.636 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N[C@@](C)(C#N)CCSC 415676359 MMAORZNMZOOXFD-GDBMZVCRSA-N 296.480 3.744 30 20 CHED C=CCn1c(S[C@H]2C=CCCC2)nnc1C1CC1 76609502 XDAIZZHNVRXEQV-LBPRGKRZSA-N 261.394 3.542 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1cn(C)c2ccccc12 182651208 JCHSAJAQJSQGFB-OAHLLOKOSA-N 298.430 3.972 30 20 CHED COc1c(F)cc(NCc2cc(C#N)cs2)cc1F 157087265 JXKJBMWURGZWPS-UHFFFAOYSA-N 280.299 3.519 30 20 CHED CCO[C@H](CCNc1snc(Cl)c1C#N)C(C)C 74772297 MZICCLDUNXLLQL-SNVBAGLBSA-N 287.816 3.531 30 20 CHED CC(C)(C#N)CCCN[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 412083675 UDJUIYFTRAPOJD-UONOGXRCSA-N 280.456 3.888 30 20 CHED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCC#N 184512291 KHRDYGMASYOLQV-SECBINFHSA-N 291.807 3.946 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 183813257 MNGPUZLLRMLFIZ-QGTPRVQTSA-N 292.382 3.752 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1F 45403874 PWHINFLARYQYLE-UHFFFAOYSA-N 296.345 3.750 30 20 CHED COc1cc(CS[C@@H](C)c2cccc(C#N)c2)ccn1 419464948 ODZCCIKVQLPAJI-LBPRGKRZSA-N 284.384 3.956 30 20 CHED Cc1nc(N2CCC[C@@H](C)[C@H]2C)c(Cl)cc1C#N 336786465 CASFPFHCMIUWJZ-MWLCHTKSSA-N 263.772 3.540 30 20 CHED C#Cc1cccc(NC(=O)N(C)CC2CCCCC2)c1 43984007 VHUJBEMOYMSIRS-UHFFFAOYSA-N 270.376 3.712 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C=C)CC1 413824423 NXNXVWIGTVPBLD-SFHVURJKSA-N 298.430 3.781 30 20 CHED COc1ccc(F)cc1N[C@@H](C)c1cccc(C#N)c1 183299052 KEWCFXOAQHIKPS-NSHDSACASA-N 270.307 3.879 30 20 CHED CC#CCCCC(=O)N1CCCc2cc(Cl)ccc21 500168812 ZMWVLQJOUWSWHR-UHFFFAOYSA-N 275.779 3.813 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnc(-c2ccccc2)nc1 500105627 WXQCMZSZXNFHEM-AWEZNQCLSA-N 296.374 3.620 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnc(-c2ccsc2)s1 410124091 RODCIGYPYQOEOZ-NSHDSACASA-N 292.429 3.956 30 20 CHED N#CC1(CNc2ccnc3cc(Cl)ccc23)CCC1 419028017 PQTFEASRCZCYPV-UHFFFAOYSA-N 271.751 3.994 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(CC#N)cc2)C12CCCC2 85679619 KZMZALYFLBSMQC-SJORKVTESA-N 284.403 3.902 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)Nc2cccc(C#N)c2)C1 339099751 YUVXLFXVGOQJJK-JSGCOSHPSA-N 271.364 3.506 30 20 CHED CC(C)(C)[C@@H]1CN(CCC2(C#N)CCCCC2)CCO1 411675153 OTBZBOHFGDMADW-HNNXBMFYSA-N 278.440 3.597 30 20 CHED CC1(C)CC[C@H](/C(O)=N/Cc2noc3c2CCCC3)C1 329295770 KEMOKVNVGAXNIS-NSHDSACASA-N 276.380 3.836 30 20 CHED C=CCN(CC=C)C(=O)NC[C@@H](c1ccccc1)C(C)C 505198882 SOTKDCKLSKUZND-QGZVFWFLSA-N 286.419 3.810 30 20 CHED CCC(C)(C)CNC(=O)Nc1ccccc1O[C@H](C)C#N 191930887 YLWZAXSOFWYLKO-GFCCVEGCSA-N 289.379 3.535 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(Cl)ccc1Cl 87759873 RNRIAPDOZDSLJK-VIFPVBQESA-N 257.164 3.585 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(Cl)ccc1OC(F)F 610728942 PWPSOZQDCZOSNR-SECBINFHSA-N 288.725 3.675 30 20 CHED COCc1ccc([C@@H]2CCCN2CCC(C)(C)C#N)o1 130967312 OCNPYGFLGXHVEY-AWEZNQCLSA-N 276.380 3.503 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](c1cccnc1)C(C)C 135104238 BNJHYXNDZSYECC-DOTOQJQBSA-N 274.408 3.540 30 20 CHED Cn1cc(CN(Cc2ccc(Cl)cc2)C2CC2)cc1C#N 191224099 ATINKMXPLWHKSM-UHFFFAOYSA-N 299.805 3.715 30 20 CHED COc1ccc(C#N)cc1CNC1(C(F)F)CCCCC1 510094516 WVUWXONNALELGA-UHFFFAOYSA-N 294.345 3.624 30 20 CHED CSC[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 429288974 BJZRXIYQSDGUIM-LBPRGKRZSA-N 294.851 3.787 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 137132499 KJZLZUBKCXOVMD-RHSMWYFYSA-N 299.418 3.668 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)CCCC(F)(F)F 511401079 WZWSKQNXXCSNLT-JTQLQIEISA-N 298.308 3.718 30 20 CHED CCC(CC)(CC)NCCOc1ccc(C#N)cc1OC 81156523 LRSMOCBUAHGKFX-UHFFFAOYSA-N 290.407 3.504 30 20 CHED N#Cc1ccc(SCCOc2cccc(C#N)c2)cc1 48603336 CNJOLWKYAPCDRM-UHFFFAOYSA-N 280.352 3.601 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(SC(F)F)cc1 194924715 CPXZCASOPMYROW-SNVBAGLBSA-N 270.348 3.735 30 20 CHED C#CCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 192130557 CSGIWQHTGRZYKY-CVEARBPZSA-N 269.388 3.503 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 513129121 JAEUKHBXQXOLJE-OAHLLOKOSA-N 293.455 3.784 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc3scnc3c2)C1 193355865 VHFYBEJZQNFHSW-GHMZBOCLSA-N 257.362 3.791 30 20 CHED C[C@@H](Nc1ccc(C#N)c(Br)c1)C1CCC1 228196307 SNRISDJFXLAFKL-SECBINFHSA-N 279.181 3.921 30 20 CHED CCCC1(C(=O)Nc2ccc(C#N)c(C#N)c2C)CCC1 421559495 OOPVYKREEZAAMX-UHFFFAOYSA-N 281.359 3.647 30 20 CHED CCN(CCOc1ccccc1C#N)c1cccc(F)c1 44368476 UIPBSKIXXFTWEZ-UHFFFAOYSA-N 284.334 3.603 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnn(-c2ccccc2)c1C 424733538 ITBOCALPDQRKAQ-UHFFFAOYSA-N 283.375 3.722 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(C(=O)O)c2)cc1 198797739 DPNVUKYFHVTLJV-KTKRTIGZSA-N 266.296 3.589 30 20 CHED N#CCN(Cc1cccc(-c2ccccc2)c1)C1CC1 511975487 WISQMDNMEPTTPX-UHFFFAOYSA-N 262.356 3.842 30 20 CHED CC(C)Cc1ccc([C@H](C)NC(=O)C2(C#N)CCC2)cc1 332452984 GSAZOQIZFBDKLE-AWEZNQCLSA-N 284.403 3.756 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1cccs1 425127327 ISKUZARNZPMZKO-CHWSQXEVSA-N 298.411 3.943 30 20 CHED N#CCC(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 334548875 STEWCZWNCFLWJD-CYBMUJFWSA-N 296.292 3.673 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CC(F)F)c1ccccc1 422258356 JTYCZVSSCBWZFP-CQSZACIVSA-N 294.345 3.767 30 20 CHED N#Cc1cc(CN(C2CCC2)C2CCC2)ccc1F 292407835 LVNWREMCEJDCBD-UHFFFAOYSA-N 258.340 3.604 30 20 CHED N#Cc1cnc(Nc2ccc3[nH]ccc3c2)c(Cl)c1 513748200 BXEYYMIBNWHTKX-UHFFFAOYSA-N 268.707 3.832 30 20 CHED CC(C)C[C@H](C)CC(=O)N1CCc2ccc(C#N)cc21 339819248 BUJKPQQCJWQDES-ZDUSSCGKSA-N 270.376 3.520 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(F)c1 533309345 LENSEEYCOHWFCZ-OFQRWUPVSA-N 272.367 3.756 30 20 CHED CCCCn1ncc(N=C(O)N2CCC[C@H](C)[C@H]2C)c1C 330611724 QGNDRUAJPYBWMM-QWHCGFSZSA-N 292.427 3.658 30 20 CHED Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@]1(C#N)C[C@H]1C 336294280 PRGIFFMHLHUNBF-FZKQIMNGSA-N 291.354 3.545 30 20 CHED N#Cc1csc(CN[C@@H]2CCCc3sccc32)c1 93688002 MVZCUYWLXSVLFD-CYBMUJFWSA-N 274.414 3.848 30 20 CHED C#CCCCCC(=O)N1CCc2sccc2[C@H]1CC 179746628 ZSQVOLACOXGUBV-CQSZACIVSA-N 275.417 3.778 30 20 CHED CC(C)c1nc(/C(O)=N/C[C@H]2CCO[C@@H]2C(C)C)cs1 331219523 STVSZWUJMBYYIV-DGCLKSJQSA-N 296.436 3.632 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 90000515 RTDDZGNUQUIUCR-ZDUSSCGKSA-N 294.329 3.996 30 20 CHED Cc1cccc(NCC#Cc2ccc(F)cc2)c1C 433409453 HOQLBZZYGHTPJZ-UHFFFAOYSA-N 253.320 3.906 30 20 CHED C=CCc1cc(CN(C)[C@@H]2CC[C@@H](C)C2)cc(OC)c1O 433042327 FYDOMXVHLQABIO-CZUORRHYSA-N 289.419 3.750 30 20 CHED COc1cc(Nc2cccc(F)c2C#N)cc(OC)c1C 431501952 IMYDKIJECXLHEA-UHFFFAOYSA-N 286.306 3.767 30 20 CHED OC(CCC1CCCC1)=Nc1nc2cccnc2[nH]1 330034237 AWWZLSUCWPRTOL-UHFFFAOYSA-N 258.325 3.516 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@H](C)CCC[C@H]1C 432553131 HKVFFWWMDDPBRX-ZIAGYGMSSA-N 266.429 3.809 30 20 CHED COc1ccnc(CN(CC(C)C)c2ccc(C#N)cc2)c1 438923286 RDKSKVCFZIQZPE-UHFFFAOYSA-N 295.386 3.624 30 20 CHED CC[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 246209667 NTLNDSLTEOVRCU-VWYCJHECSA-N 297.185 3.515 30 20 CHED CC(C)c1ccc(SCC(=O)NCCCCC#N)cc1 349324667 QMPPEHVCONWEMI-UHFFFAOYSA-N 290.432 3.712 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(Cl)c(Cl)c1 537097393 NCYBPECNZMXRBX-GHMZBOCLSA-N 288.218 3.829 30 20 CHED Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1[N+](=O)[O-] 248708576 AZTUWXRPDJUIJQ-GUTXKFCHSA-N 287.363 3.636 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2CCc3ccccc32)c1 347470061 ZQIXSZNHXTZNEQ-QGZVFWFLSA-N 290.366 3.903 30 20 CHED Cc1c(Cl)cnc(N2CC(C)(C)[C@H]2C(C)C)c1C#N 431504969 AFAJJJUNCXHTJK-CYBMUJFWSA-N 277.799 3.786 30 20 CHED C=CC[C@@H](C)NC(=O)NCCCSc1ccc(F)cc1 342093487 WESPAGNQPAXIAX-GFCCVEGCSA-N 296.411 3.572 30 20 CHED C=CCC[C@H](NC(=O)c1cncc(F)c1)c1ccccc1 435283795 BGONJHFRJBOUNU-INIZCTEOSA-N 284.334 3.658 30 20 CHED Cc1c(C#N)cccc1NCC(=O)Nc1ccccc1Cl 431335709 FBCSULBLQVFYAI-UHFFFAOYSA-N 299.761 3.571 30 20 CHED N#CCC1(CN2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 602783719 KXJJXUCMZLRLMC-CQSZACIVSA-N 295.386 3.701 30 20 CHED O=C(/C=C\c1cncs1)c1ccc2c(c1)CCCC2 254988140 QRFDNEHJKCXSJE-FPLPWBNLSA-N 269.369 3.918 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C#N)cs2)c(F)c1 255181216 ZSGOOQMHPSMFSY-HYXAFXHYSA-N 287.315 3.664 30 20 CHED Cc1cc(-c2ccccc2Cl)n(C[C@@H](C)C#N)n1 601931416 DXSZMOUXXMAVKW-JTQLQIEISA-N 259.740 3.672 30 20 CHED Oc1ccccc1C=Nc1cc2c(cc1Cl)OCCO2 255040323 IDBBZNURUWXLCQ-UHFFFAOYSA-N 289.718 3.567 30 20 CHED CN(C)c1ccc(N=Cc2cc3ccccc3nc2O)cc1 255565366 HWFBAZIZQOEGIK-UHFFFAOYSA-N 291.354 3.757 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(F)c(F)c(F)c1 182652591 PXWNYQIKEJBFBB-VIFPVBQESA-N 271.282 3.579 30 20 CHED CCc1ccc(CCSc2ccc(C#N)cn2)cc1 522331843 GXVFEYBLHGYXFP-UHFFFAOYSA-N 268.385 3.850 30 20 CHED C[C@@H](CCC#N)N(C)Cc1cc(Br)cs1 297832923 JXVLYRWQDHVVCZ-VIFPVBQESA-N 287.226 3.635 30 20 CHED CCCn1c(NC(=O)C(C#N)(CC)CC)nc2ccccc21 528368811 WLZOYBHMUSIEIC-UHFFFAOYSA-N 298.390 3.715 30 20 CHED COc1ccc(/C=C\c2ccncc2C#N)cc1Cl 349113154 QMHVNVUVJVKWFN-RQOWECAXSA-N 270.719 3.786 30 20 CHED Cc1csc(-c2ccc(NC(=O)[C@]3(C#N)C[C@@H]3C)cc2)n1 448858912 COGSIXDHOFEPMT-QFYYESIMSA-N 297.383 3.607 30 20 CHED COc1ccc(CON=Cc2cccs2)cc1Cl 255491483 RCBXVZQRNOFNHW-UHFFFAOYSA-N 281.764 3.961 30 20 CHED Cn1c(NN=Cc2c[nH]c3ccccc23)nc2ccccc21 252622647 NZQHJAWSFQBHBZ-UHFFFAOYSA-N 289.342 3.501 30 20 CHED CCCCC(=O)N(Cc1ccco1)c1ccccc1C#N 354856389 GXGAPROWGDBTBX-UHFFFAOYSA-N 282.343 3.875 30 20 CHED COc1ccc(OCC2(CC#N)CC2)c(C(F)(F)F)c1 600676038 RVVPVVOHPHTETF-UHFFFAOYSA-N 285.265 3.787 30 20 CHED N#Cc1c(NC(=O)C2CCC=CCC2)sc2c1CCC2 602233727 XSOIPUHEJZFDOI-UHFFFAOYSA-N 286.400 3.793 30 20 CHED C=CC[C@@H]1N(Cc2cnn(CC(F)F)c2)CCCC1(C)C 353231258 NKNJAVRSJANDQO-AWEZNQCLSA-N 297.393 3.715 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1CC#N 601034957 QLIYOKIAQJRBIN-KRWDZBQOSA-N 292.382 3.504 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)[C@H]1CCCC[C@H]1C)OCC 535126681 ZTJUTPCRBSPPCF-PMPSAXMXSA-N 281.440 3.785 30 20 CHED N#C[C@H]1CC[C@@H](NCCCc2cccc(C(F)(F)F)c2)C1 442786002 WSRGEMAAVFOLFY-DZGCQCFKSA-N 296.336 3.920 30 20 CHED Cc1sc(NC(=O)c2ccc(C3CC3)cn2)c(C#N)c1C 531025665 QSAOARLUVQLVDI-UHFFFAOYSA-N 297.383 3.761 30 20 CHED COc1ccc([C@@H](C)CC/N=C(\N)Nc2ccccc2)cc1 267446757 QGRAFOZLUCBCRN-AWEZNQCLSA-N 297.402 3.616 30 20 CHED C[C@H](c1nc2ccccc2o1)N1CCC[C@@](C)(C#N)C1 612162784 MKHQTAFMZCPBNP-WBMJQRKESA-N 269.348 3.514 30 20 CHED Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c(C)n1 611300587 QXSZBEZCHUXUKG-UKRRQHHQSA-N 279.387 3.982 30 20 CHED N#Cc1cnccc1NC(=O)c1ccc(-c2ccco2)s1 610808797 VRUYQKKJFVNINX-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(F)c1F 537246475 GZTBAAPGUVHZNT-JTQLQIEISA-N 268.307 3.831 30 20 CHED C[C@@H]1CC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 353594098 FVMSSDMIKDKVFY-HACGYAERSA-N 254.377 3.571 30 20 CHED CCCOc1ccc(CN(CCC#N)C(C)C)cc1 535077001 CDEQDLFHCCPIMR-UHFFFAOYSA-N 260.381 3.599 30 20 CHED C[C@@H](SCCOC[C@H]1CCCO1)c1ccc(C#N)cc1 610315490 WOHMKMJEJAJVGO-CZUORRHYSA-N 291.416 3.548 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)C(=O)N1CCCC[C@H]1C 449116883 RTJKSQXSVIPPLZ-XHSDSOJGSA-N 280.456 3.500 30 20 CHED C=CCCNC(=O)c1coc2ccc(C(C)C)cc12 617618256 IXWCGGPXFQEEHF-UHFFFAOYSA-N 257.333 3.862 30 20 CHED CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 442871360 LKUYZRHSMCZQDI-OJDYBEQGSA-N 292.810 3.698 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](c2ccc(F)cc2)C1 268022546 JNHKUMLBTUIJPY-HNNXBMFYSA-N 274.383 3.945 30 20 CHED N#CC[C@@H](CC(=O)N1CCC[C@H](C2CC2)C1)c1ccccc1 356463032 ZJADDZIIBVXNEN-ROUUACIJSA-N 296.414 3.723 30 20 CHED CCC[C@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)C(C)C 618790251 ZATPSIZSKRDINJ-RDJZCZTQSA-N 284.403 3.734 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)c(OC)c(F)c2)CC1 354798564 YPEJTRRMLOQOFY-UHFFFAOYSA-N 281.302 3.658 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CC(=O)c2ccccc2)CCC1 357785106 FWASMUQYFCWVKR-AWEZNQCLSA-N 285.387 3.511 30 20 CHED C=C[C@@H](C)NCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 614245663 OILRSQFSKDLYSY-CYBMUJFWSA-N 299.370 3.787 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(OC2CCC2)cc1 266708828 ZRWDHYKQJBWVDL-UHFFFAOYSA-N 298.367 3.803 30 20 CHED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1cccnc1 355633436 ITSPMLAEMFZAPH-UHFFFAOYSA-N 293.370 3.549 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1Cc1cccc(C#N)c1 530725454 PWBCGLBXPVYTEA-KXBFYZLASA-N 276.383 3.936 30 20 CHED C=CCC1(NC(=O)CCc2ccc(OC)cc2)CCCC1 619106134 MEJVIUIDNJUDIE-UHFFFAOYSA-N 287.403 3.633 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2NCC(C)(C)C#N)cc1 613540367 OIOREAJSYLFUGQ-HZPDHXFCSA-N 256.393 3.771 30 20 CHED C=CCNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 532302193 MZSJZEBCFUDZCT-UHFFFAOYSA-N 269.304 3.936 30 20 CHED CC(C)N(Cc1ccc(OCC#N)cc1)Cc1ccco1 264573369 SSYJZWSIXWYRFQ-UHFFFAOYSA-N 284.359 3.593 30 20 CHED C=C1CCN(C(=O)c2csc3ccccc23)CC1 264470355 IYDXPJIWBCZELN-UHFFFAOYSA-N 257.358 3.694 30 20 CHED C=C[C@H](C)NC(=O)c1cc(C)n(C2CCCCC2)c1C 362602096 SKOVOAWACDWRDP-LBPRGKRZSA-N 274.408 3.914 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H](CCC)OC)c1ccc(F)c(F)c1 450717571 QDPXHDDTZUHJPS-CABCVRRESA-N 297.345 3.513 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2cc(F)ccc21 613275229 MZAQQWOTQSFWQD-MLGOLLRUSA-N 275.367 3.717 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(F)cc1C 454521066 JDNCUFNAYNSLST-CJNGLKHVSA-N 290.382 3.945 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CC(C)(C)OC1(C)C 531714473 WOLRUKUIDRRFQB-MRXNPFEDSA-N 289.419 3.687 30 20 CHED N#Cc1cccc(NC[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] 450498547 HGHCJJXEUBGXOC-SNVBAGLBSA-N 295.289 3.704 30 20 CHED C=CCC1(NC(=O)[C@@H](C)CCC(C)(C)C)CCOCC1 618249048 CZAHPTDRTODMAU-AWEZNQCLSA-N 281.440 3.690 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(Cl)ccc1OCC1CC1 361280737 DPRURUUWKJNGNT-LBPRGKRZSA-N 292.810 3.863 30 20 CHED C[C@H]1CN(C[C@H](C)CCC#N)c2cc(Cl)ccc2O1 618888226 UUEYGJBRZHEMER-NEPJUHHUSA-N 278.783 3.867 30 20 CHED C#CCC1(C(=O)N2CCc3ccccc3C2)CCCCC1 276344816 VUHDWJSGYKXEHP-UHFFFAOYSA-N 281.399 3.545 30 20 CHED N#CCc1ccc(CN2CCc3c(Cl)cccc3C2)cc1 543208254 RDQTWZMZHYGEOJ-UHFFFAOYSA-N 296.801 3.964 30 20 CHED C=CCCCC(=O)N1[C@@H](C)Cc2cc(OC)ccc2[C@H]1C 541005776 CQWDVVVGWHQLKE-UONOGXRCSA-N 287.403 3.886 30 20 CHED CCc1cnc(CN[C@@H](CC)c2ccc(C#N)cc2)s1 278783065 PZDNBXCIKWJXAY-HNNXBMFYSA-N 285.416 3.818 30 20 CHED N#Cc1cccc(N2CCC(c3c(F)cccc3F)CC2)n1 362696998 HBZNSLMYHUVISF-UHFFFAOYSA-N 299.324 3.615 30 20 CHED CC#CC(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 278925950 SGUJRGWGPKBNSZ-GFCCVEGCSA-N 298.411 3.627 30 20 CHED C=C(C)[C@@H](Nc1nnc(C2CC2)o1)c1ccc(F)c(F)c1 278189246 DNBAKBHZIDVWAM-CYBMUJFWSA-N 291.301 3.955 30 20 CHED CO[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 360656518 IJOPIKHKBADNCZ-CEXWTWQISA-N 298.430 3.873 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc2c(c1)CCCC2 278193333 FBURDUWPXOHQMB-CYBMUJFWSA-N 284.403 3.682 30 20 CHED CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 271916333 GIJASDUNEGYLPL-FZKQIMNGSA-N 298.361 3.736 30 20 CHED C=CCn1c(SC2CCC2)nnc1-c1ccoc1C 270078428 FFOZKKYJZPANFZ-UHFFFAOYSA-N 275.377 3.677 30 20 CHED COCCN(CCC(C)(C)C#N)[C@H](C)c1ccccc1 272029321 OTDDRIVTIJIDHT-OAHLLOKOSA-N 274.408 3.636 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CCSC1 360883358 NGIUAFITLCDLDC-RHSMWYFYSA-N 286.444 3.668 30 20 CHED N#Cc1cccc([C@H]2CN(CCC3=CCCCC3)CCO2)c1 450637881 BFWHLIFSXLXMDA-LJQANCHMSA-N 296.414 3.822 30 20 CHED C=CC[C@H]1CCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 629366491 OKGGCJKGXDIBFG-LBPRGKRZSA-N 285.343 3.529 30 20 CHED CC(C)CC1(CNC(=O)NCc2ccc(C#N)cc2)CCC1 362372146 XOUVTOWDGMGMFW-UHFFFAOYSA-N 299.418 3.574 30 20 CHED C=CC(C)(C)c1nc(-c2cccc(NC(=O)CC)c2)no1 453081190 PLFKWCJRBIPTKT-UHFFFAOYSA-N 285.347 3.549 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)NCCCC#N 458645502 JKOPGWPVZYYQTI-CQSZACIVSA-N 267.417 3.681 30 20 CHED COc1ccccc1-c1cccc(NC(=O)CCCC#N)c1 360188558 MOFXBQQTZNKAOS-UHFFFAOYSA-N 294.354 3.995 30 20 CHED C=CCCCCNCc1cn(C)nc1-c1cccs1 364188422 GOKVJYDXRVDCHV-UHFFFAOYSA-N 275.421 3.595 30 20 CHED C[C@H]1C[C@H](CCNc2ccc(Cl)cc2C#N)CCO1 543210355 RVGGLINXNWDJFG-NWDGAFQWSA-N 278.783 3.829 30 20 CHED CC[C@H](OC(=O)CC(C)(C)C#N)c1cccc(OC)c1 278701250 IIZGRASACSSTIG-AWEZNQCLSA-N 275.348 3.629 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H]2c2ccccn2)c1C#N 542279557 LBXBUHCZQJZNKM-OAHLLOKOSA-N 298.777 3.652 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC[C@H]2CCCF)c1 282849397 XBQXIQSAZVMJQE-JKSUJKDBSA-N 260.356 3.566 30 20 CHED CC[C@@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 464476475 XLNPZVBOWJQGCS-CVEARBPZSA-N 284.403 3.721 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCC1(C)CC1 280522826 XVGHSILBRBNAES-UHFFFAOYSA-N 299.418 3.668 30 20 CHED CCN(CCc1cscn1)[C@H](C)c1ccc(C#N)cc1 284353776 SHOKJAXUKKLGQU-CYBMUJFWSA-N 285.416 3.640 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1ccc(CC#N)cc1 469778632 FBBPOXAHRQWKBN-IAGOWNOFSA-N 288.460 3.907 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(OC(F)F)c1 466366501 IFWKMEDPZVQZPN-JTQLQIEISA-N 284.306 3.764 30 20 CHED CCC[C@]1(C)CCCN(Cc2cccc(C#N)c2)C1 464843665 XLXPSOPJUDAGRQ-QGZVFWFLSA-N 256.393 3.960 30 20 CHED CCC(C)(C)c1ccc(NC(=O)NC[C@H](C)C#N)cc1 556102016 MISRTTLLFOUAJD-GFCCVEGCSA-N 273.380 3.655 30 20 CHED COc1cccc(C)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 464459913 JJKFOKMGVNFYHV-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CSc2ccccc21 550914901 XQWQMJSZCINZKK-LBPRGKRZSA-N 261.390 3.552 30 20 CHED C[C@@H]1CCc2ccccc2N1CCCC1(C#N)CCOCC1 281997123 NGVITIDBMSLSSF-MRXNPFEDSA-N 298.430 3.928 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1cccc(Cl)c1 282852789 SYSRSXSPPVHFPR-RISCZKNCSA-N 250.773 3.553 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccnn1-c1ccccc1C 467518145 JWYHYGMGTVBFAS-UHFFFAOYSA-N 295.386 3.888 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(N[C@H](C)C(C)C)c1C 465149823 VKPLZAIQUHBTDA-TZMCWYRMSA-N 274.408 3.756 30 20 CHED C=CCC[C@@H](NCCc1ccncc1C)c1ccco1 286030932 JFHCUGNQWJAJNY-MRXNPFEDSA-N 270.376 3.823 30 20 CHED C=CCCCCCN(C)C(=O)Nc1c(C)ccnc1C 286982552 CARCZBSKWXYUQE-UHFFFAOYSA-N 275.396 3.909 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 555548047 GXFCZGFAIBDYPX-KRWDZBQOSA-N 286.419 3.535 30 20 CHED Cc1cccc(C)c1NCCCC1(C#N)CCOCC1 281384803 ZBZIYAIZPIZNAE-UHFFFAOYSA-N 272.392 3.816 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2cccc(Cl)c2F)no1 289855314 UJJGLGLBGMMQCM-ZDUSSCGKSA-N 279.702 3.720 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1ccccc1 280537577 CPZSYQJGWOEKLF-BBWFWOEESA-N 259.393 3.709 30 20 CHED Cc1ccc(CCNC2(c3cccc(C#N)c3)CC2)cc1 551712835 LNKSQSZBDKPYPZ-UHFFFAOYSA-N 276.383 3.688 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)C1(C)C 463487468 WKDSFVMHGUHJJV-OLZOCXBDSA-N 293.798 3.611 30 20 CHED COc1ccncc1CS[C@@H](C)c1ccc(C#N)cc1 289391729 LXLTUABFXRAOGH-LBPRGKRZSA-N 284.384 3.956 30 20 CHED CC(C)(C#N)Cc1nc(-c2ccc(Cl)s2)no1 288954400 CKUCHXDRBMTCQS-UHFFFAOYSA-N 267.741 3.544 30 20 CHED C=CCC[C@H](NC[C@@](C)(O)[C@H](C)CC)c1ccco1 552043764 BDSDASUEANMPTP-IJEWVQPXSA-N 265.397 3.674 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccccc1CCC 806184911 GDGAZGDQPWYLII-CQSZACIVSA-N 258.365 3.563 30 20 CHED C=CCCCCCCCCN1C(=O)[C@H](C)N(C2CC2)C1=O 806673328 FDJWAOKEHXUMKL-AWEZNQCLSA-N 292.423 3.718 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1Cc2ccc(F)cc21 805220820 GFVKIYLBPKRLTA-MRXNPFEDSA-N 275.367 3.718 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccccc1C(C)C 291668216 CGFWBARRWBJRKM-UHFFFAOYSA-N 271.364 3.744 30 20 CHED C[C@@H](C#N)OCCN(C)Cc1ccccc1-c1ccccc1 801917062 OQOYZQOEEXSASN-INIZCTEOSA-N 294.398 3.714 30 20 CHED Cc1ccc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)s1 806560253 KFZWTPQDZMSKHM-SHQCLWGWSA-N 298.363 3.895 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 473869023 NGUBLNWBGPUNFG-QWRGUYRKSA-N 290.338 3.897 30 20 CHED C#C[C@H](NC(=O)C(C)(C)C1CC1)c1ccc(Cl)cc1F 807689505 RZEAKZVQQOGBKB-AWEZNQCLSA-N 293.769 3.706 30 20 CHED CCc1ccnc(-c2noc(-c3ccc(C)c(C#N)c3)n2)c1 809493421 MFJUNZAZYZWJBY-UHFFFAOYSA-N 290.326 3.541 30 20 CHED C[C@@H](CNC(=O)C1(C#N)CCCCC1)c1ccc(F)cc1 299137534 QUBMFOLYWHMSGJ-ZDUSSCGKSA-N 288.366 3.519 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1c(Cl)cccc1Cl 803783826 FIDKSBGBIPAFNW-ZDUSSCGKSA-N 286.158 3.976 30 20 CHED Cc1cc(NC(=O)N(C)CCC#N)c2ccccc2c1 297411434 NITPFERVAXALBL-UHFFFAOYSA-N 267.332 3.526 30 20 CHED C#C[C@H](N[C@@H]1CS[C@H](C(C)(C)C)C1)C(C)(C)C 809781236 KGVGIMPOLHBNJQ-AVGNSLFASA-N 253.455 3.544 30 20 CHED CC(C)c1cccc(CNC(=O)c2ccc(CC#N)cc2)c1 475944240 DGHWPCLVWLZXQH-UHFFFAOYSA-N 292.382 3.806 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 294437629 GESZZULFSRRNGL-WFASDCNBSA-N 293.382 3.620 30 20 CHED C=CCCCCNC(=O)N[C@H](C)c1ccc(F)cc1F 472791673 OGZPXDCVGJRCDP-LLVKDONJSA-N 282.334 3.681 30 20 CHED CCC[C@H](CC)S(=O)(=O)CCCCC(C)(C)C#N 479652625 QLBYVJNAGNCVMJ-ZDUSSCGKSA-N 273.442 3.700 30 20 CHED CC(C)CC[C@@H](C)NC1(c2cccc(C#N)c2)CC1 560260952 JRDZRLCOABVEKD-CQSZACIVSA-N 256.393 3.962 30 20 CHED Cc1ccc(Cc2noc(-c3cccc(C#N)c3)n2)s1 561935344 KEOIDYOIFGVQJC-UHFFFAOYSA-N 281.340 3.569 30 20 CHED Cc1nc(-c2ccc(NC3CCC(C)(C#N)CC3)cc2)n[nH]1 568949913 STWLXLPBSBWTRX-UHFFFAOYSA-N 295.390 3.665 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)c1nccs1 657974260 NOZPVGQAASJVDS-MCIONIFRSA-N 264.438 3.971 30 20 CHED C(=NNC1CCCCC1)c1conc1Cc1ccccc1 814910506 YOMQYSPNONEALR-UHFFFAOYSA-N 283.375 3.522 30 20 CHED COc1cc(C)c(C(C)=NOC/C=C/Cl)cc1OC 811671810 XLQFAILVBNDVNU-IQYABZLSSA-N 283.755 3.505 30 20 CHED C#C[C@@H](Nc1ccc(C#N)c(C)n1)c1ccc(Cl)cc1F 813605919 WZVZZINPJYXQLT-OAHLLOKOSA-N 299.736 3.841 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1oc2ccccc2c1C 811660786 VDJDAAZQBXLXBV-ZDUSSCGKSA-N 288.416 3.808 30 20 CHED C=CCC(F)(F)C(=O)Nc1cnn(C(CC)CC)c1CC 816472116 VOQRUORVFWABSL-UHFFFAOYSA-N 299.365 3.957 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)CSc1ccccc1 653317734 GMAYWXDCEYMSIS-KBPBESRZSA-N 292.448 3.773 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NOCC1CC1 814941347 WAZCBNHWJHBOGT-DOTOQJQBSA-N 273.376 3.752 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)Cc2ccsc2)c1 574278277 IEVUBGYPYOYWER-LBPRGKRZSA-N 299.399 3.681 30 20 CHED c1ccc([C@@H]2CCC(=NO[C@H]3CCCCO3)C2)cc1 814887066 HEORNYSTXIOLRM-ZBFHGGJFSA-N 259.349 3.853 30 20 CHED CCC(=NNc1c(F)cccc1F)c1ccco1 814852965 VYOGVKVUFXCSCM-UHFFFAOYSA-N 250.248 3.784 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc2[nH]ccc2c1 811636661 IUMGBIZQWKDKLG-UHFFFAOYSA-N 288.354 3.962 30 20 CHED C[C@@H]1CN(Cc2ccccc2)CCC1=NOC/C=C/Cl 811668893 VETBARARMWOCEZ-GFJVBFGGSA-N 292.810 3.654 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccccc1 812239830 FYGWJPMJZDOGMO-VQHVLOKHSA-N 256.276 3.730 30 20 CHED C#Cc1ccccc1CC(=O)N1CCCC12CCCCC2 810774872 PJVAYMNWPNTPMG-UHFFFAOYSA-N 281.399 3.536 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(F)c(C(C)=O)c1 486788906 TWOSRFFDHFNMIC-NSHDSACASA-N 292.354 3.895 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNC[C@H]1CCSC1 811661235 HEZGSAQYQSEJPB-GXTWGEPZSA-N 256.459 3.777 30 20 CHED Cc1cccc2c1[C@H](OC(=O)CCCCCC#N)CCO2 814035493 NZNQEJTUAGQLTN-OAHLLOKOSA-N 287.359 3.836 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H](CC(F)(F)F)C1 817632472 JJZVBPUHKDCNGG-ZDUSSCGKSA-N 289.341 3.761 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cnn(-c3ccc(Cl)cc3)c2)C1 579340895 VXAMDNSWFQQJGM-YPMHNXCESA-N 286.766 3.630 30 20 CHED CCOC1CC(=NOCc2ccc(C(F)(F)F)cc2)C1 814882461 PITWGOQERWOWON-UHFFFAOYSA-N 287.281 3.777 30 20 CHED COc1ccc([C@H](C)C(=O)Nc2ccccc2CC#N)cc1 573462770 GHWXAAJJIMCFPL-ZDUSSCGKSA-N 294.354 3.503 30 20 CHED C=CCNC(=S)NC(C)(C)c1ccc(C(C)C)cc1 729645748 XFQYCZRZJOIXFX-UHFFFAOYSA-N 276.449 3.695 30 20 CHED CN(CCc1cccc2ccccc12)c1cccnc1C#N 572689613 BTFFZFWWTVMLNM-UHFFFAOYSA-N 287.366 3.785 30 20 CHED C=CCn1cccc1C(=O)Nc1c(C)cccc1CC 490082471 VHGBMLAZUXLLRC-UHFFFAOYSA-N 268.360 3.797 30 20 CHED C=CC[C@@H](C)N[C@H](C(=O)O)c1ccc(Cl)cc1Cl 825660087 SAZOZTFCPQOXDZ-PELKAZGASA-N 288.174 3.673 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2ccc(Cl)cc2C1 492877496 ZTHLVEIVFPYKQA-UHFFFAOYSA-N 277.795 3.827 30 20 CHED C#Cc1cccc(N(C(=O)/C=C/c2cccnc2)C(C)C)c1 728247187 RQMIJWGJSNJFHI-ZHACJKMWSA-N 290.366 3.518 30 20 CHED Cc1cscc1CN[C@@H](C)c1ccc(C#N)c(F)c1 494471621 MHFHQTIQLDMEFW-NSHDSACASA-N 274.364 3.918 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 820460485 MWVWBVCPRIIHGR-XNRPHZJLSA-N 275.367 3.790 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 727203667 CJNOYGZKTASEBQ-SNVBAGLBSA-N 288.265 3.592 30 20 CHED C=C[C@@H](CC)CC(=O)N(OC)[C@@H](C)c1csc(C)n1 821222011 NDQXITBPXXFLFA-JQWIXIFHSA-N 282.409 3.505 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C1CCC1)C1CC1 582164745 ZFHFXFUMHGQXAC-INIZCTEOSA-N 283.375 3.567 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H]2CCCC[C@@H]2C)c1 728481760 VAQCQVUPVMCADY-GOEBONIOSA-N 269.388 3.847 30 20 CHED CN(C)c1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1F 727653896 BNPMHPNCGMJPIC-WQLSENKSSA-N 299.320 3.853 30 20 CHED N#CC1(CSc2n[nH]c(/C=C\c3ccccc3)n2)CCC1 582886133 VWEJGYPEAFLAGD-FPLPWBNLSA-N 296.399 3.761 30 20 CHED C=CCCCCCN(C)[C@H](c1ccccc1)c1nc[nH]n1 660766730 ICURNDXGFSMZSU-MRXNPFEDSA-N 284.407 3.572 30 20 CHED N#CCCCCCC(=O)N1CCSC2(CCCCC2)C1 588638888 PZMRMHHDMCOUOQ-UHFFFAOYSA-N 294.464 3.739 30 20 CHED C=CCCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 661571932 BHFQSQFFNAGURU-AWEZNQCLSA-N 260.381 3.582 30 20 CHED C=C[C@@H](CC)CC(=O)N(CCC#N)C(C)(C)CC 904678541 UTLGCXMPXSLOQD-ZDUSSCGKSA-N 250.386 3.520 30 20 CHED C=C(C)CN1CCC(N[C@H]2c3cc(C)ccc3C[C@H]2C)CC1 491038355 PKJDUEDCASQFML-OXQOHEQNSA-N 298.474 3.858 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1cccc(C#N)c1 588795185 SWUDYZZXGLWTBQ-RHSMWYFYSA-N 298.430 3.774 30 20 CHED CC(C)n1cc([C@H](C)Nc2snc(Cl)c2C#N)cn1 733190988 LXHOEKRFTNZOTD-QMMMGPOBSA-N 295.799 3.619 30 20 CHED COc1ccc([C@@H](C)CSCc2cc(C#N)ccn2)cc1 901804712 WRGNMKDMXGEVTN-ZDUSSCGKSA-N 298.411 3.999 30 20 CHED CCOc1cccc(/C=C2\COc3ccc(F)cc3C2=O)c1 731565040 CXSCGZVISDLIOU-MDWZMJQESA-N 298.313 3.883 30 20 CHED CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc2ccccc2cc1C#N 839437651 PBMNYCVEGAPAOX-SJKOYZFVSA-N 296.370 3.711 30 20 CHED CSCc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839042799 FYBATKVQZROTBZ-HIFRSBDPSA-N 289.400 3.789 30 20 CHED COc1ccc([C@H](NCC(C)(C)C#N)C(C)C)c(F)c1 903102316 WALSGQTWMCZOIN-OAHLLOKOSA-N 278.371 3.671 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1sccc1C 733743212 KEJUZEASTJYCPA-UHFFFAOYSA-N 274.345 3.591 30 20 CHED CC[C@@H](Nc1cc(C)ccn1)c1cccc(C#N)c1 902898731 UDQBKRBLJDPBDU-OAHLLOKOSA-N 251.333 3.825 30 20 CHED C=C(Cl)CN1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 732413154 PKNIEWUZMPGSFL-IPYPFGDCSA-N 265.784 3.589 30 20 CHED CC(C)CCC(=NN[C@H](C)C(F)(F)F)C1CC1 834997885 MFWSNEFTDHXVMC-SECBINFHSA-N 250.308 3.729 30 20 CHED C#CCC[C@@H](C)OC(=O)/C(C)=C/c1ccc(OC)c(F)c1 839042312 JWQKORGNQLOKOC-RSKUSDAESA-N 290.334 3.583 30 20 CHED Cc1cc(N2CCCC2)ccc1NC(=O)C#CC(C)(C)C 837311934 GLIZKTWPOGVGHK-UHFFFAOYSA-N 284.403 3.583 30 20 CHED Cc1cc(F)c(F)cc1OC(=O)[C@]1(C#N)CC12CCCC2 839354583 ZCXJVLCITVTXSL-MRXNPFEDSA-N 291.297 3.653 30 20 CHED C=CC(C)(C)c1nc(-c2nccc3ccccc23)no1 904592723 FGPUOTJGODSYIK-UHFFFAOYSA-N 265.316 3.748 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H](F)CC2CCCCC2)C1 839060900 ZORHMQKUOAVWKC-ILXRZTDVSA-N 281.371 3.920 30 20 CHED Cc1cnc(C=NNc2c(C)cccc2C(C)C)o1 834979326 MYKKDAKTHQSCJU-UHFFFAOYSA-N 257.337 3.861 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1SCC 674330610 UYHDWEXSULRADA-UHFFFAOYSA-N 263.406 3.837 30 20 CHED CCCCCCCCN[C@H](C)c1nccn1CC 834629870 QEGTYCYFEOBXAD-CQSZACIVSA-N 251.418 3.914 30 20 CHED C=CCC1(CN[C@H](C)c2cc(C)nn2C)CCCC1 834898847 HGORGOIMGFSCOS-CQSZACIVSA-N 261.413 3.516 30 20 CHED CCC#C[C@H](C)N1CCC[C@H](c2nc3ccccc3o2)C1 677480512 YOMGFXOELRGQKS-GJZGRUSLSA-N 282.387 3.809 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C(=O)C#CC(C)(C)C 837435811 NHZZNRFRUCSDEM-MRXNPFEDSA-N 271.404 3.516 30 20 CHED C#CCCOC(=O)CC1CCC(c2ccccc2)CC1 731137597 MPQTXXWVJYSKMI-UHFFFAOYSA-N 270.372 3.917 30 20 CHED CCCCCCCOC(=O)c1cn(C)nc1C(F)(F)F 919462003 ZVRBTLBMDYFPQC-UHFFFAOYSA-N 292.301 3.566 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2C)cc1OC 916346064 UXWUYQJIPWQCJH-UHFFFAOYSA-N 284.359 3.767 30 20 CHED CCOc1ccc(NC(=O)C#Cc2ccccc2)cc1Cl 747358768 BTMJYSVDGDKJID-UHFFFAOYSA-N 299.757 3.729 30 20 CHED CCCCCC(CCCCC)=NNC(=S)NC 743420436 FVFCRUOCDIQUDY-UHFFFAOYSA-N 257.447 3.597 30 20 CHED C[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccc(Cl)cc1 593160077 VSGXNGQAFMFAAD-GFCCVEGCSA-N 292.810 3.890 30 20 CHED N#CC[C@@H]1CCCN(C(=O)NCCC2=CCCCCC2)C1 595584227 FJHGRRLSSVOCCR-INIZCTEOSA-N 289.423 3.602 30 20 CHED CC(=NNc1cncc(Cl)n1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842525377 OITSQCFDIDWTIC-SRVKXCTJSA-N 276.771 3.520 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)Cc2c(F)ccc(F)c21 749591857 TXHGWROLUWDDMY-JXMROGBWSA-N 274.241 3.926 30 20 CHED N#Cc1cccc(-c2csc(NCC(F)(F)F)n2)c1 747700309 ZDXVNFPGZCWBEZ-UHFFFAOYSA-N 283.278 3.656 30 20 CHED CC(=NNc1ncnc2sc3c(c12)CCC3)C(C)C 916309287 HVZLUHGYHYFFOJ-UHFFFAOYSA-N 274.393 3.624 30 20 CHED N#CC[C@H]1CCCN([C@@H]2CCc3c(Cl)cccc32)C1 595621390 UFURIQGPYRLRGV-MLGOLLRUSA-N 274.795 3.953 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Cl)c(F)c2)c1 915982872 GJPUJGQYDILOOJ-UHFFFAOYSA-N 294.669 3.844 30 20 CHED C=CCN(C(=O)NCCCc1ccc(C)cc1C)C(C)C 918057935 AFQJSNORQIURNX-UHFFFAOYSA-N 288.435 3.842 30 20 CHED CCOc1ccc(NC(=S)NN=C(C)[C@H](C)CC)cc1 915926387 JWDOGORFZPNMGD-LLVKDONJSA-N 293.436 3.794 30 20 CHED C=CCN(C(=O)COc1ccccc1C(C)(C)C)C(C)C 914682789 IANAPLRIRGOUJP-UHFFFAOYSA-N 289.419 3.786 30 20 CHED C=CCC(C)(C)C(=O)OCCc1noc2ccccc12 847771629 YQHHDFLGWHFZDE-UHFFFAOYSA-N 273.332 3.516 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 593593736 FGTKXANTVINGDY-HZMBPMFUSA-N 296.773 3.842 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C(C)c1cccs1 746680050 OSQSJUADDQQRDZ-UHFFFAOYSA-N 291.332 3.501 30 20 CHED Cc1ccccc1C1(N[C@@H]2CCC[C@@H](C#N)C2)CC1 592391766 IZXSPDISHDEFNA-HUUCEWRRSA-N 254.377 3.656 30 20 CHED CCOc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 596619270 FXIFIILWKVPZMT-UHFFFAOYSA-N 286.375 3.888 30 20 CHED N#Cc1ccc(-c2ccc(OC[C@@H]3CCCCO3)cc2)cn1 592986904 MWEXMADRNMAOBO-SFHVURJKSA-N 294.354 3.568 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cc3ccccc3o2)o1 745313294 KQKNASUQWWTDEK-VURMDHGXSA-N 296.278 3.709 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1c[nH]nc1C 919655839 YGPXPKBFMNXLSX-UHFFFAOYSA-N 294.443 3.610 30 20 CHED COc1cccc(CC/N=C\c2cc(Cl)ccc2O)c1 915980120 XESNLSMGKPMPCL-WQRHYEAKSA-N 289.762 3.716 30 20 CHED Cc1cccc(C(=O)/C=C/c2cnc3cccc(C)n23)c1 749000397 YBUZQTVRQWYQHT-MDZDMXLPSA-N 276.339 3.847 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(F)c(F)c1 742261500 ZQGBZWAWHAPWNH-UHFFFAOYSA-N 291.272 3.728 30 20 CHED CCc1oc2ccccc2c1C=NO[C@@H](C)c1noc(C)n1 842020482 JTTOHONJJWKGCP-JTQLQIEISA-N 299.330 3.798 30 20 CHED Cc1cc(Br)ccc1NN=Cc1ccn(C)c1 749855682 SFDYJCSJHODBSU-UHFFFAOYSA-N 292.180 3.542 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCc1ccc(CC(C)C)cc1 594096540 DJVRHELSVNDQKE-KRWDZBQOSA-N 286.419 3.578 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc2c1OCO2 924784573 FVWRKVHBISHVTM-OLZOCXBDSA-N 294.354 3.699 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](CC)C1CCCCC1 682080877 WBSASXPDROSEJR-DOTOQJQBSA-N 281.440 3.690 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2ccnc(Cl)c2c1 841364666 GQYMABWVUXLQCU-HNNXBMFYSA-N 287.750 3.767 30 20 CHED Cc1ccc(C(=O)OCC2(C#N)CC2)c2ccccc12 840626992 UEILTMGTYRNGPF-UHFFFAOYSA-N 265.312 3.609 30 20 CHED Cc1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)c(F)cc1F 851210667 XEUAZLFRYKHULX-JTQLQIEISA-N 281.302 3.758 30 20 CHED C=CCN(C[C@]1(C)CC1(Cl)Cl)C(C)(C)C 852554370 KNVJQODBVXAKIF-NSHDSACASA-N 250.213 3.857 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2ccccc2)cn1 758334181 GEWHSKPHAPULBB-UHFFFAOYSA-N 280.327 3.616 30 20 CHED C=CCN(C(=O)/C=C\c1ccc(OC)cc1)C(C)(C)C 857651284 WXKRGNOMOCCJNU-XFXZXTDPSA-N 273.376 3.522 30 20 CHED N#CCc1cccc(OC(=O)OCC2CCCCC2)c1 859131396 MWNZBWVMWWYIDT-UHFFFAOYSA-N 273.332 3.848 30 20 CHED C(=NNc1ccccn1)c1cc2ccccc2s1 758368310 WSRARYUOLGEPJQ-UHFFFAOYSA-N 253.330 3.742 30 20 CHED O=[N+]([O-])c1cccc(NN=C[C@@H]2C[C@@H]2c2ccccc2)c1 755481709 OOWMPTNPDSYFNY-XJKSGUPXSA-N 281.315 3.796 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCCCN1CCCCC1 925050803 VUZUUYRCSBJCEN-INIZCTEOSA-N 279.472 3.561 30 20 CHED CO[C@H]1CCCCC1=NNc1nc(C(F)(F)F)cs1 755902193 AKGCHHGEOVCWSY-QMMMGPOBSA-N 293.314 3.519 30 20 CHED CC(C)CON=Cc1cccn1Cc1cccs1 755801799 NQRQDZZKINEMNB-UHFFFAOYSA-N 262.378 3.604 30 20 CHED COCc1csc(C=NOC2CCCCC2)c1 853335311 POTOCEHFSNUSJK-UHFFFAOYSA-N 253.367 3.578 30 20 CHED CCN(Cc1cccs1)C(=O)c1cc(C#N)ccc1C 929391016 CUPQLKALNIOGLW-UHFFFAOYSA-N 284.384 3.591 30 20 CHED Cc1ccc(C)c(COC(=O)c2ccc(C#N)s2)c1 750396692 BNOWRHLUTGPPGS-UHFFFAOYSA-N 271.341 3.594 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccc(O)cc1 756828072 WGVOMVJEFMMTAD-UHFFFAOYSA-N 274.751 3.559 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@@H](C)n1cccn1 851143612 MWPNIULQCRWGRW-KFWWJZLASA-N 276.380 3.512 30 20 CHED Cc1ccc(C=NNc2cncc(Br)c2)s1 758119820 OYLCIEWBFBTEFR-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1[C@H](C)c1ccccc1 928388734 YTGJSCCDAXDBFM-HIFRSBDPSA-N 293.357 3.993 30 20 CHED O=C(/C=C/C=C/c1ccccc1)c1cc([N+](=O)[O-])ccc1O 759088531 AZFUSJZUCZGXNW-KBXRYBNXSA-N 295.294 3.753 30 20 CHED CCOc1ccccc1C=NOCc1nc(C)c(C)s1 755941127 UFZPTYIVKHKTRQ-UHFFFAOYSA-N 290.388 3.709 30 20 CHED CCOCC(C)=NNc1cc(C(F)(F)F)ccc1F 753946612 IWFKZNNSWCIXOA-UHFFFAOYSA-N 278.249 3.669 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](c1ccccc1)c1ccncc1 931858240 WVRQNGYUMXCMJG-HNAYVOBHSA-N 294.398 3.890 30 20 CHED C#CCN(C(=O)Nc1ccccc1C(C)(F)F)C(C)C 931631104 FSVYSFMDJVCDBO-UHFFFAOYSA-N 280.318 3.674 30 20 CHED Cc1noc(C)c1[C@@H](C)NCCCCC1(C#N)CCC1 930221489 GUIVWMIAUSDDPU-GFCCVEGCSA-N 275.396 3.806 30 20 CHED C#C[C@@H](OC(=O)c1cc2ccc(F)cc2s1)C1CC1 767519130 WNPDGDOFRKIERG-GFCCVEGCSA-N 274.316 3.609 30 20 CHED C#CCN(C(=O)Nc1cc(C)ccc1C(F)(F)F)C(C)C 931955090 LNDUHRODAMCJTI-UHFFFAOYSA-N 298.308 3.889 30 20 CHED CCCCCCCCC(=O)N1CCOCC12CCCC2 762715558 SLSWZDIVXZTGTJ-UHFFFAOYSA-N 281.440 3.909 30 20 CHED CCC(C)(C)c1noc(C[C@@H](CC#N)c2ccccc2)n1 867171365 BYMGJFBSYJZQCI-CQSZACIVSA-N 283.375 3.997 30 20 CHED CC#CCCCC(=O)Oc1ccc(OC)c2ccccc12 767096457 RSCYRRBFCGVBPB-UHFFFAOYSA-N 282.339 3.947 30 20 CHED CCC[C@H](C(=O)Oc1ccc(C#N)cc1F)C(C)C 764295080 QSCAFNUPFBOPLS-LBPRGKRZSA-N 263.312 3.675 30 20 CHED C#CCCCCN[C@H]1C[C@H](c2ccccc2)C1(C)C 766329077 IOTOIZSXEWCXBF-SJORKVTESA-N 255.405 3.962 30 20 CHED CCc1noc(C)c1C(C)=NNc1cc(F)c(F)cc1F 769818260 GAKFOTVAGRSFBL-UHFFFAOYSA-N 297.280 3.799 30 20 CHED CC(C)CN(CC(C)C)C(=O)c1ccc(CC#N)cc1 58242270 QABLPEOLIGGNEA-UHFFFAOYSA-N 272.392 3.507 30 20 CHED Clc1ccc(OCCCON=C2CCCOCC2)cc1 778602147 ZVCHZQCNPQQULB-UHFFFAOYSA-N 297.782 3.682 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1ccn(C)n1)CC2 773159207 FYDMGTMCAAFDBA-GDNBJRDFSA-N 280.371 3.756 30 20 CHED N#Cc1ccc(OCc2ccccc2F)cc1Cl 69284279 WWMPYTXCBASVBM-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1CCCc2sccc21 776397500 ZQVDTWIVGISZDR-LBPRGKRZSA-N 277.389 3.651 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C)cc1OCCOC 878327390 IPSNQUKEIQSFGV-UHFFFAOYSA-N 291.391 3.561 30 20 CHED C=Cn1cc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cn1 773053085 DMUAQHNETPVDIM-AWEZNQCLSA-N 282.391 3.792 30 20 CHED C=C(C)[C@H](N[C@H](C)C[C@@H]1CCOC1)c1ccc(F)c(F)c1 775559442 ZBVSMQWLWUFMFO-IGCXYCKISA-N 295.373 3.987 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2nc3c(s2)CCCC3)c1 776264762 IFJCSTNHFHKNIF-HJWRWDBZSA-N 294.379 3.790 30 20 CHED CC(C)CNN=C1CCN(Cc2ccccc2Cl)CC1 1116456745 SXNCXXCGBUZNQG-UHFFFAOYSA-N 293.842 3.537 30 20 CHED CC[C@H](C#N)OC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1116688238 KKXFNOGYXNAIMO-VSQXVHSFSA-N 284.142 3.852 30 20 CHED CSc1ccc(COC(=O)C#Cc2ccccc2)cc1 773449142 VUWFVUACFKMFAY-UHFFFAOYSA-N 282.364 3.503 30 20 CHED C[C@H](NN=C1CCCNc2ccccc21)c1ccccc1 774373997 CWHMRHFBRKTPCC-AWEZNQCLSA-N 279.387 3.947 30 20 CHED CCOCCON=C(C)[C@@H](C)c1nc2ccccc2s1 774439029 RXJDABKWGQZATN-LLVKDONJSA-N 292.404 3.829 30 20 CHED C=C(C)CCC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 1120621028 MINAJNKXHWBBCO-NSHDSACASA-N 279.330 3.767 30 20 CHED C=CCOc1cccc(NC(=O)c2ncc(C)cc2C)c1 779863137 LWMGWZHLEKLWIR-UHFFFAOYSA-N 282.343 3.516 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccnc(Cl)c1 779460361 OVZGJHHVEKNMDZ-SNAWJCMRSA-N 288.690 3.539 30 20 CHED COC[C@H](C)C(C)=NNc1nc(-c2ccccc2)cs1 777879694 NJYMQRJBXNMJQW-NSHDSACASA-N 289.404 3.880 30 20 CHED CC[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1OC 775070515 XNSPLQMHQYNKRZ-GOSISDBHSA-N 297.373 3.927 30 20 CHED C=C1CCC(C(=O)NCCCc2cccs2)CC1 889837323 QGBXMVROGVGVGQ-UHFFFAOYSA-N 263.406 3.543 30 20 CHED C[C@@H](N(C)c1nc(C(C)(C)C)ccc1C#N)C1(C)CC1 1458235448 XWBHHDLCQTZYSH-GFCCVEGCSA-N 271.408 3.876 30 20 CHED CSC1(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCC1 786280026 YEZXLSMDKLYBOS-ZDUSSCGKSA-N 296.395 3.697 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1cncs1 782329206 ZMHBAFGAGNJLLZ-RQOWECAXSA-N 266.325 3.587 30 20 CHED C/C(C=NN[C@H]1CCOC(C)(C)C1)=C\c1ccccc1 780251295 UAERAUBGFJTMDR-INYMDUQASA-N 272.392 3.623 30 20 CHED CC(CCCCN(C)C)=NNCc1cccc(Cl)c1 781124916 HBMWODOFOVOEKU-UHFFFAOYSA-N 281.831 3.537 30 20 CHED Clc1ccccc1[C@H]1CCCC1=NN[C@H]1CCCOC1 780262292 YXCZSNOVOPWUEQ-GXTWGEPZSA-N 292.810 3.732 30 20 CHED Cc1ccc(N(C)C(=O)[C@H](CC#N)c2ccccc2)cc1C 1125602550 YISBWBSYQLLPRB-GOSISDBHSA-N 292.382 3.964 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1cnn(C(C)C)c1C 899367942 CFBKQLMAMNYCFA-FPLPWBNLSA-N 287.363 3.527 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC2CCCC2)c1 103028682 OCBUKGUYFNFQRA-UHFFFAOYSA-N 255.361 3.601 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)ccc2C)c1 103032931 PXECTCZQAIIAAZ-UHFFFAOYSA-N 263.340 3.561 30 20 CHED C=C[C@H]1CCCCN1c1nc2cc(C)nn2c2ccccc12 784676827 QGGHGIAFJZSLNM-AWEZNQCLSA-N 292.386 3.736 30 20 CHED CCCC(Cc1ccccc1)=NNc1ncncc1Cl 780274999 IARRCFZWDVCXQM-UHFFFAOYSA-N 288.782 3.941 30 20 CHED CC(C)[C@H](Nc1ccc(Cl)cc1C#N)c1cnn(C)c1 896429545 QPGZSRJZFMUBSK-HNNXBMFYSA-N 288.782 3.754 30 20 CHED C=C[C@@](C)(CC)c1nc([C@@H]2CC2(Cl)Cl)no1 896810038 KNRYKBQAVJRWLT-XVKPBYJWSA-N 261.152 3.585 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC(CC)(CC)SC 787269955 ZSUILGQCSYOKHR-CYBMUJFWSA-N 284.469 3.658 30 20 CHED N#CC1CCN([C@H]2CCc3cc(Cl)ccc32)CC1 782181205 PBQYICANRQZDKG-HNNXBMFYSA-N 260.768 3.563 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@](F)(C#N)C1 786234532 WECCEOVDWRNVMA-OAHLLOKOSA-N 268.376 3.591 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cnn(C3CCC3)c1)C2 899354492 HJPXODZTKDMSJC-NVNXTCNLSA-N 278.355 3.739 30 20 CHED N#Cc1ccc(F)c(NC(=O)CC2CCCCC2)c1 891447851 YVEDJVMNYFHALN-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CC(C)[C@H](C)[S@@](=O)CCCCC1(C#N)CCC1 899281069 WFISXWMDLJJOMQ-GUYCJALGSA-N 255.427 3.644 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(Cl)s1 42373337 SJNOJBFFXOROKA-SECBINFHSA-N 290.775 3.764 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H]1CSCCS1 793534091 OLNKSVCAYMMGAX-KGLIPLIRSA-N 273.511 3.950 30 20 CHED COC(=O)c1cccc(NN=C(C)c2cc(C)c(C)o2)c1 799884060 BXOUPOMYEPWCCF-UHFFFAOYSA-N 286.331 3.519 30 20 CHED CC(C)[C@H](Cc1ccccc1)OC(=O)c1ccc(C#N)o1 797116857 ACQAANCTLNLERQ-INIZCTEOSA-N 283.327 3.575 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)o1 796142969 ANJUWQLXPFFVKG-UHFFFAOYSA-N 296.109 3.815 30 20 CHED Cc1cc(C(=O)/C=C\c2cnn(C3CCC3)c2)cs1 899380627 PKGIEJJDCZLMGW-WAYWQWQTSA-N 272.373 3.874 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 791065657 AEZBQSWYOYITJS-CABCVRRESA-N 290.794 3.598 30 20 CHED C=C[C@H]1CCCCN1C[C@H]1CCOc2ccccc21 683843612 IJQRYUKGMWXPSB-CABCVRRESA-N 257.377 3.593 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1cccc(O)c1 555976396 SPWMUNNEGGPZAP-UHFFFAOYSA-N 260.381 3.544 30 20 CHED CC[C@](C)(NCc1ccc(C#N)c(OC)c1)c1ccccc1 799336612 VAMIIXLZXIYVAS-IBGZPJMESA-N 294.398 3.982 30 20 CHED CCc1noc(C2CCC(=NOC[C@H](C)CC)CC2)n1 793164821 ZXFIHVBJMNQVDX-JHJMLUEUSA-N 279.384 3.708 30 20 CHED C=CCOCCN(C)[C@H](C)c1ccccc1Cl 559049361 INBUTHUQGFAUHZ-GFCCVEGCSA-N 253.773 3.535 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc(C(F)F)cc2)c1 793001261 MGYOIGAOYXIFBY-UHFFFAOYSA-N 290.288 3.925 30 20 CHED C[C@@H](ON=Cc1cccc(F)c1)c1ccc(C#N)cc1 794714981 JJSZOWISZQNBMX-GFCCVEGCSA-N 268.291 3.809 30 20 CHED CCCCCCCC(=O)NCC1(SC)CCC1 790078913 AUECTDSGLYAMCN-UHFFFAOYSA-N 257.443 3.749 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C/c1ccc2ccccc2n1 798551381 RQRMDBRZKZBLSS-LHNRBYRGSA-N 280.371 3.719 30 20 CHED C=CCN(Cc1ccc(OCC2CC2)cc1)C(C)C 792162608 ODZFTBNXIOEVEJ-UHFFFAOYSA-N 259.393 3.872 30 20 CHED COc1cc(C)c(C(C)=NNc2ncccc2C)cc1OC 790193892 RLNMONRFWWOJDS-UHFFFAOYSA-N 299.374 3.552 30 20 CHED C#CCSCCN[C@H](CCC(C)C)c1ccoc1 796817391 NCKQBHYQJYNZMD-OAHLLOKOSA-N 265.422 3.713 30 20 CHED CC[C@H](CC#N)NCCc1cc(Cl)cc(Cl)c1 574820167 LSJNROOXPVEVEN-CYBMUJFWSA-N 271.191 3.818 30 20 CHED C#C[C@@H](CC)/N=C\c1cc(Cl)cc(Cl)c1O 792570978 VPBCYDJQNJDBGI-VNCYPQDWSA-N 256.132 3.530 30 20 CHED N#Cc1cc(F)cc(NC(=O)CC2CCCCCC2)c1 720285855 WOVDFFLJVKZRHO-UHFFFAOYSA-N 274.339 3.996 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC(F)CC1 689829098 XXMHCELMGMBPHK-UHFFFAOYSA-N 272.245 3.515 30 20 CHED C#CCC(C)(C)C(=O)N(CCC)Cc1ccc(C)cc1 767043549 RUBAPCYMEKFXDH-UHFFFAOYSA-N 271.404 3.783 30 20 CHED CCC1CCC(N(Cc2cccc(C#N)n2)C2CC2)CC1 1308631689 ZDSWVOQPSYPBSM-UHFFFAOYSA-N 283.419 3.886 30 20 CHED CC(C)(CNC(=O)Nc1ccc(F)cc1C#N)C1CCC1 1310386401 UHIZRSBCFVCNHM-UHFFFAOYSA-N 289.354 3.645 30 20 CHED C(=NNc1cccc2c1CCCC2)c1cccc2cn[nH]c12 1323137431 VJBOXFDAFMADJK-UHFFFAOYSA-N 290.370 3.888 30 20 CHED CCc1cc(C#N)c(NC(=O)c2occ(C)c2C)s1 1323630862 DWXAEAMVLUAYQM-UHFFFAOYSA-N 274.345 3.644 30 20 CHED CCCCCC[C@@H](CC)C(=O)OCc1ccc(C#N)cn1 1321157261 MRBALJGGSJQZMJ-OAHLLOKOSA-N 288.391 3.993 30 20 CHED C=CCCCC(=O)O[C@@H]1c2ccccc2OC[C@H]1C 1320828327 HOXWSWKRJIVIFI-WBMJQRKESA-N 260.333 3.656 30 20 CHED C#C[C@@H](CC)NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1338999553 WCVAJCLAUOAJIH-INIZCTEOSA-N 283.415 3.544 30 20 CHED C=C1CCC(C(=O)N2CCC(c3ccncc3)CC2)CC1 1334935853 XLCSYUQEELGXPB-UHFFFAOYSA-N 284.403 3.534 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 1336963033 DLTZDRKBGXUZRR-KGLIPLIRSA-N 261.365 3.936 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](CC)CC(F)(F)F 1337550631 KUCIOSFHBOOVCN-NEPJUHHUSA-N 277.330 3.922 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)O[C@H]1CC[C@H](C#N)C1 1344058909 OTTGEJACMDSNCW-UXLLHSPISA-N 285.387 3.799 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccccc1OC 1347474107 KWNITKZEDMQRGC-CYBMUJFWSA-N 274.364 3.658 30 20 CHED CC(C)CC1(C)CCN(c2cccc(CC#N)n2)CC1 1342868142 MAVPZWBOBDYYBU-UHFFFAOYSA-N 271.408 3.800 30 20 CHED CCCCCN(c1nnc(C(C)(C)C#N)n1CC)C(C)C 1352358250 XQRTWSQMDZKVHE-UHFFFAOYSA-N 291.443 3.504 30 20 CHED CC1(C)CCC(C)(CNC(=O)c2ccc(C#N)s2)CC1 1276119792 NQGZAKVSVSLAIA-UHFFFAOYSA-N 290.432 3.956 30 20 CHED N#Cc1cc(NC(=O)C2(C3CCCCC3)CC2)ccc1F 1352467006 FBKRHBXJVFRXLG-UHFFFAOYSA-N 286.350 3.996 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1ccc(F)c(C)c1 1462625738 HDWVPHPVDOLQDU-UHFFFAOYSA-N 288.347 3.734 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3cc(C)c(C#N)cn3)C2)cc1 1612321711 GMXQUEZVWRAQNB-WBVHZDCISA-N 291.398 3.953 30 20 CHED C#CCCCCC(=O)N(CC)[C@H](C)c1ccc(F)cc1 119648949 GSSZZWFGQILUGB-CQSZACIVSA-N 275.367 3.929 30 20 CHED CCc1nc(Sc2c(C#N)cccc2C#N)sc1C 1559231244 MHDYXCZBXWXISC-UHFFFAOYSA-N 285.397 3.908 30 20 CHED N#Cc1c(F)cccc1SCc1cncc(F)c1 1559418338 AUJWEPMXOKURKT-UHFFFAOYSA-N 262.284 3.524 30 20 CHED Cc1cc(C#N)nc(NCC[C@H]2C[C@H](C)CC(C)(C)C2)n1 1639858607 LIELIFHZRKNAIS-JSGCOSHPSA-N 286.423 3.921 30 20 CHED Cc1cccc(-c2c(NC(=O)CC(C)(C)C#N)n[nH]c2C)c1 1641016255 UTSHNJIYCKLHKN-UHFFFAOYSA-N 296.374 3.572 30 20 CHED C=C(Cl)CNCc1ccccc1OCC(C)C 1656579745 ZBPQPCVUAWYOCS-UHFFFAOYSA-N 253.773 3.564 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1ccc(C#N)s1 1584200968 UZKZJGQDAUDPCT-JTQLQIEISA-N 287.340 3.546 30 20 CHED C=C(C)CCS[C@H](C)c1cccc(-c2nn[nH]n2)c1 1588424540 LTRJGRXEMWDVKT-LLVKDONJSA-N 274.393 3.627 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H](Cc2ccccc2)C1 1663700339 XTJIMQCYEOJBLN-FUHWJXTLSA-N 270.420 3.881 30 20 CHED CC(C)c1ccc(C=NNc2ccc(CC(=O)O)cc2)cc1 1776083525 LJXIBRNOXYEHQQ-UHFFFAOYSA-N 296.370 3.883 30 20 CHED C=CCc1ccccc1CN(C)c1cccc(CC(=O)O)c1 1776189110 OUEFMGGYJLUTPH-UHFFFAOYSA-N 295.382 3.679 30 20 CHED CC1(C)CCC(C)(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1683217822 UJMKBGKSLZZGBX-UONOGXRCSA-N 291.439 3.584 30 20 CHED O=C(O)c1ccc2c(c1)CCC/C(=C/c1ccccc1)C2=O 1777683096 NLHUCGOCZAAONP-PTNGSMBKSA-N 292.334 3.987 30 20 CHED C=CCCC1(C(=O)O)CCN(CC[C@H](C)CC)CC1 1776173129 CPMLWABRSZSRHG-CQSZACIVSA-N 267.413 3.556 30 20 CHED C=CCCC1(C(=O)O)CCN(CC23CCC(CC2)C3)CC1 1776168171 DCEZEUZPQFIYAY-UHFFFAOYSA-N 291.435 3.700 30 20 CHED CCCc1ccc(C=NNc2ccc(C(=O)O)cc2)s1 1776012637 XLMUFAPEIBFOHT-UHFFFAOYSA-N 288.372 3.845 30 20 CHED Cc1c(NN=Cc2cc3ccccc3[nH]2)cccc1C(=O)O 1776088253 ZZMPNTUSTFMBIS-UHFFFAOYSA-N 293.326 3.621 30 20 CHED CC[C@@H](NN=C(CC1CCCC1)CC1CCCC1)C(=O)O 1776067886 MQRUZXWPFZLZSL-MRXNPFEDSA-N 294.439 3.956 30 20 CHED N#Cc1ccc(C(=O)CSc2ccc(F)cc2F)cc1 19247272 SBAIGDUHWCIQCW-UHFFFAOYSA-N 289.306 3.811 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc(C)c1O 14202656 XTJUEMDZRJLBGO-HWKANZROSA-N 294.350 3.840 30 20 CHED CCCCn1ncc(Nc2ccc(Cl)c(C#N)n2)c1C 161130432 VPXZORMDCNFEJQ-UHFFFAOYSA-N 289.770 3.655 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cncc(F)c1 161522229 LWMNLGUTWBORRH-ZDUSSCGKSA-N 286.350 3.636 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1ccnn1CC 162788829 HJHBYNJSCILFKX-UHFFFAOYSA-N 295.839 3.806 30 20 CHED CCc1ccc(NC(=O)[C@H](C#N)c2nc(C)c(C)s2)cc1 160159100 QVMFRENIQUCBIP-AWEZNQCLSA-N 299.399 3.568 30 20 CHED C=C(C)CNC(=O)c1ccc(C2SCCCS2)cc1 160970206 ZSYWXCLOICRGLH-UHFFFAOYSA-N 293.457 3.861 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc(F)c(Cl)c1 152637339 DZFQXZRGLFGZRN-GQCTYLIASA-N 278.714 3.592 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccc(C)s1 153683435 DHEOVDUUVYULFT-UHFFFAOYSA-N 280.437 3.944 30 20 CHED C=C(C)CNC(=O)Nc1ccnc(Oc2ccccc2)c1 157444648 ZJLHAZRTBOAFMZ-UHFFFAOYSA-N 283.331 3.572 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(-c2nc3ccccc3s2)o1 154308069 BKSRLESHRRFGRC-SNVBAGLBSA-N 298.367 3.861 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)CCc1ccc(C#N)cc1 156998140 BYDWHYOYKVJMRL-MRXNPFEDSA-N 284.403 3.576 30 20 CHED N#CC1(C(=O)Nc2cccc3ccc(O)cc23)CCCCC1 154905397 FBBQSQVBUZNENR-UHFFFAOYSA-N 294.354 3.958 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1 209981703 KJPOZZNOAKSMPG-KHPPLWFESA-N 287.309 3.927 30 20 CHED N#CCc1ccc(NC(=O)CCC2CCCC2)cc1 8125662 BONFTTPUHSGKBM-UHFFFAOYSA-N 256.349 3.662 30 20 CHED COc1ccccc1CNc1ccc(C#N)c(Cl)c1 37393368 IYKCDLBAQAXJNE-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=C(C)COCCN[C@H](CC(C)C)c1ccccc1 163509525 YSEVGCNAIWKBDV-QGZVFWFLSA-N 261.409 3.956 30 20 CHED N#C[C@@H](NC(=O)CC1CCCCC1)C1CCCCC1 40360114 IYRFAFVUQCFWOI-OAHLLOKOSA-N 262.397 3.545 30 20 CHED CSc1ccc(C)c(C(=O)NC2(C#N)CCCCC2)c1 298125355 FRSWBQMHESEFKF-UHFFFAOYSA-N 288.416 3.673 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C)ccc1Br 186103458 ZPFURUQDEIANGX-UHFFFAOYSA-N 294.192 3.746 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2C)s1 186202372 YFVXFTSTEKZPQO-UHFFFAOYSA-N 270.401 3.869 30 20 CHED CC(C)CC[C@H](NCc1ccc(C#N)cc1)C1CC1 311531167 GWSOZJDLNAEKTD-KRWDZBQOSA-N 256.393 3.863 30 20 CHED CC(C)(C)CCCNc1nccc(C#N)c1Cl 313464991 XAIASXNEQAABQP-UHFFFAOYSA-N 251.761 3.845 30 20 CHED C=CCCN(C)Cc1ccc(Br)cc1F 467300528 FFNSHBMYQHNSEF-UHFFFAOYSA-N 272.161 3.596 30 20 CHED C=CCC1(NC(=O)c2ccc3[nH]ccc3c2)CCCC1 619104650 QRWDGTZTYOIUTA-UHFFFAOYSA-N 268.360 3.787 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)CCCC1CCCCC1 331121533 XLHZRFGETLBNCB-CABCVRRESA-N 262.397 3.545 30 20 CHED C[C@H](c1ccccc1)N(C)c1nccc(C#N)c1Cl 341382530 QCOLIRRBMJMWSE-LLVKDONJSA-N 271.751 3.804 30 20 CHED C=CC[C@@H](C)N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 678930025 OQGGXVKERYNWDC-WBVHZDCISA-N 272.436 3.594 30 20 CHED N#CC1(CSCCOCc2ccccc2)CCC1 596368702 LXUGOHIWIOOVTA-UHFFFAOYSA-N 261.390 3.630 30 20 CHED CSCC1CCC(NCc2cc(C#N)cs2)CC1 385839483 NGGZTQOXWOLJSQ-UHFFFAOYSA-N 280.462 3.631 30 20 CHED CC[C@H](Nc1ccc(OCC#N)cc1)[C@@H]1CC1(C)C 397661403 FKNIAMHKIGVAFG-GJZGRUSLSA-N 258.365 3.826 30 20 CHED C=CCC(C)(C)CNC(=O)c1nc(Cl)sc1Cl 848128362 ADEXAWZBHLOPBZ-UHFFFAOYSA-N 293.219 3.782 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccccc2OC)c1 9824060 FFXZKZNCOGOZPA-UHFFFAOYSA-N 297.354 3.902 30 20 CHED C=CCCCC(=O)Nc1ccccc1OCC1CC1 177884531 BJZNFQHNXAVGQI-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CCC1(C(=O)Nc2cccc(OCCCC#N)c2)CCC1 176782851 DEHCAGFOTMOJIQ-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CC1(C)Cc2cc(/C=C/C(=O)c3ccco3)ccc2O1 118972032 OZSYKJFCKOEYBN-FNORWQNLSA-N 268.312 3.889 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)CC1CCCCCC1 175375143 PGAZNMHZWQHUBU-UHFFFAOYSA-N 284.403 3.877 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(OC)c(Cl)c1 116907879 QFGPKZGGIBQGKL-QWRGUYRKSA-N 253.773 3.964 30 20 CHED C=CCOCCCC(=O)Oc1ccccc1C(C)C 173927108 FHISMLXPEMNJSN-UHFFFAOYSA-N 262.349 3.698 30 20 CHED COc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1 303345483 ZLDPUFOTMQRMMA-GDNBJRDFSA-N 264.324 3.826 30 20 CHED N#Cc1ccc(OC[C@@H]2CCCC(F)(F)C2)cc1 302488223 RRMBOZATTLECKK-GFCCVEGCSA-N 251.276 3.763 30 20 CHED C[C@H](C#N)OCCOc1c(Cl)cc(Cl)cc1Cl 302427678 RWCZBAVCGFNQTO-SSDOTTSWSA-N 294.565 3.954 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cnccc1OC 347095008 RQTAEYZUKIKJRN-UHFFFAOYSA-N 282.387 3.669 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)c(C)n1C1CC1 176610749 WTKUMARNXJARNQ-QGZVFWFLSA-N 299.418 3.642 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)C1(C#N)CCCCC1 175845604 GRNGJLPPTKNEPE-CQSZACIVSA-N 282.387 3.606 30 20 CHED C=CCCCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 175187112 SPQSOUROBYWBFT-NSHDSACASA-N 267.319 3.841 30 20 CHED COc1cccc([C@@H]2CCCN2c2ccc(C)c(C#N)n2)c1 302616560 DECZFDMDGPWIAH-KRWDZBQOSA-N 293.370 3.612 30 20 CHED Cc1ccc(N/C(N)=N/Cc2ccccc2Cl)cc1 303721690 XOJOSEKJDIGXQM-UHFFFAOYSA-N 273.767 3.575 30 20 CHED CCCc1csc(NC(=O)CCc2ccc(C#N)cc2)n1 126846993 FGNQJTXOGJCNSD-UHFFFAOYSA-N 299.399 3.539 30 20 CHED COc1cccc(CNc2ccc3cc(C#N)ccc3n2)c1 301836341 XEAGTROMTYXACH-UHFFFAOYSA-N 289.338 3.727 30 20 CHED N#Cc1ccccc1COc1c(F)c(F)c(F)c(F)c1F 36302057 ANICGXKNQXMCIF-UHFFFAOYSA-N 299.198 3.833 30 20 CHED C[C@H](Sc1nccnc1C#N)c1ccc(Cl)cc1 301204164 YEJQNWHMYJQPGP-VIFPVBQESA-N 275.764 3.855 30 20 CHED CCCCCCCCCCN1C(=O)CN(C2CC2)C1=O 917436776 MLPVBBGVAHVSPB-UHFFFAOYSA-N 280.412 3.554 30 20 CHED Cc1ccc(N/C(N)=N/Cc2cc(F)ccc2F)cc1C 304757639 PANUZNZJFKOSRO-UHFFFAOYSA-N 289.329 3.508 30 20 CHED N#CCCCOc1cccc(NC(=O)C2=CCCCC2)c1 126697401 QXUIERFKTSUMNT-UHFFFAOYSA-N 284.359 3.808 30 20 CHED Cc1cc(N[C@H](C)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] 37749733 FSCUWJPLGBXKQO-GFCCVEGCSA-N 281.315 3.948 30 20 CHED CC(=O)c1ccc(OCc2cc(F)ccc2C#N)cc1F 122538081 QVAVSJNGEJVWOM-UHFFFAOYSA-N 287.265 3.618 30 20 CHED CC[C@@H](CC#N)NC(=O)C(C)(C)c1ccc(Cl)cc1F 188726784 ZWFFYOWHAGJUQM-NSHDSACASA-N 296.773 3.565 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc2ccccc2o1 187518316 CDJGJFCBBKPZQQ-UHFFFAOYSA-N 284.359 3.977 30 20 CHED CC#CCCCC(=O)N1CCCC[C@@H]1CCC(C)C 186037146 YWNHHHNNPYHXFU-MRXNPFEDSA-N 263.425 3.997 30 20 CHED N#CCSCCCN1CCC[C@H]1c1ccc(F)c(F)c1 74990837 BYMHEXNUPAEERB-HNNXBMFYSA-N 296.386 3.749 30 20 CHED Cc1ccc(C#N)c(NCCCO[C@H](C)c2ccccc2)n1 127587953 KERUYWVIQLCPBY-OAHLLOKOSA-N 295.386 3.842 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)O[C@@H]3CCC[C@H]32)CCCC1 410822245 NKBFRSSMVRKETB-HUUCEWRRSA-N 291.435 3.681 30 20 CHED CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 181551833 RTVIHBDBRUQWDL-KBXCAEBGSA-N 280.371 3.597 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccccc1C#N 76709053 MSOMOZDDUBFPKO-UHFFFAOYSA-N 299.399 3.873 30 20 CHED Cc1ccc(OCCCCN[C@H]2CCC[C@H](C#N)C2)cc1 185783561 GLPNFRKUZVNNHV-IRXDYDNUSA-N 286.419 3.826 30 20 CHED CC(C)C[C@H](OC(=O)c1ccc(C#N)cc1)c1ccccn1 125352738 AVIOGOHMQYBDNJ-KRWDZBQOSA-N 294.354 3.897 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(N(CC)CC)cc1 410136684 KNIUVFPHOOLPBT-OAHLLOKOSA-N 274.408 3.617 30 20 CHED C[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)c1nccs1 187721722 NGKNKJAEMMRMRV-STQMWFEESA-N 285.416 3.811 30 20 CHED Cc1ccc(F)cc1CN1CCCC(C)(C)[C@H]1C#N 444726573 OPXWXXHUJCBQES-OAHLLOKOSA-N 260.356 3.648 30 20 CHED Cc1cccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1Cl 122589958 SHDKGDKNCMZPLQ-BZNIZROVSA-N 290.794 3.851 30 20 CHED C=C(C)COc1cc(CNc2cc(C)on2)ccc1OC 181462469 PKMYXBLOSGYFNJ-UHFFFAOYSA-N 288.347 3.559 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)coc1C 413982030 FIEHAZQCACPEGE-INIZCTEOSA-N 283.371 3.814 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1c[nH]c2ccc(F)cc12 182600993 QUTIENFHHIOSPF-LBPRGKRZSA-N 288.366 3.711 30 20 CHED N#CCOc1cccc(CNC/C=C/c2ccc(F)cc2)c1 127977755 VUGCKRQJZCJLLX-DUXPYHPUSA-N 296.345 3.531 30 20 CHED C=CCNC(=O)N[C@H](c1cccs1)C(CC)CC 79765394 WIUVUDMNVLDBDK-ZDUSSCGKSA-N 266.410 3.711 30 20 CHED C=CCOCCSCCOC1CCCCCC1 419503063 CIOANKRWIKUGGV-UHFFFAOYSA-N 258.427 3.662 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 417372381 VYHCDFQIWMMLBB-QBIMZIAESA-N 279.387 3.608 30 20 CHED CC(C)(CC#N)CN[C@H]1CCCOc2cc3c(cc21)CCC3 414166272 NECULLUHNIUEJY-KRWDZBQOSA-N 298.430 3.918 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)N(CC#N)C2CCCC2)C1(C)C 78208331 ZHKXZNOCHGPHAQ-LSDHHAIUSA-N 274.408 3.520 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)C1CCC1 412841112 OFZQCKLPTHEOHI-YOEHRIQHSA-N 271.404 3.726 30 20 CHED C=CCN(Cc1nnc(C2CC2)o1)CC1CCCCC1 70015752 FKGIWEDAGSNYDR-UHFFFAOYSA-N 275.396 3.515 30 20 CHED COc1ccccc1CNc1cc(C#N)ccc1OC(C)C 500972062 OMWUEGRCISDTFF-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C[C@H]1CC=C(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 416342142 YZJANKILIREBEU-UGSOOPFHSA-N 294.398 3.798 30 20 CHED C=CCCC[C@H](C)NC(=O)CCC(=O)c1ccc(C)cc1 182615360 KNCRVMYPZSAHON-HNNXBMFYSA-N 287.403 3.819 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2coc(-c3cccs3)n2)C1 185799566 GTPCTDUXOHRULM-VXGBXAGGSA-N 287.388 3.575 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC[C@H]2C2CC2)s1 414488931 UZNFSZMCXJWHAX-DOMZBBRYSA-N 260.406 3.536 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1OCC(C)C 181622541 FZAMKBFDNUWSDH-UHFFFAOYSA-N 276.380 3.761 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(C)cnc1OC)c1ccccc1 188391870 XVWODEBMDWHUSS-OAHLLOKOSA-N 296.370 3.697 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N(CC#N)C2CCCC2)C1(C)C 78208329 ZHKXZNOCHGPHAQ-HUUCEWRRSA-N 274.408 3.520 30 20 CHED CCCCCCCC(=O)NC[C@@H](C)c1nccs1 183539122 LQDALNZFLHQFHH-GFCCVEGCSA-N 268.426 3.723 30 20 CHED CC(C)(CCC#N)CNCCc1ccc(Cl)cc1 135123808 XFSJCYDHGDZPAH-UHFFFAOYSA-N 264.800 3.802 30 20 CHED N#Cc1cccc(NCc2occc2Br)c1 227113554 OSEVNFNAJPFIHP-UHFFFAOYSA-N 277.121 3.526 30 20 CHED CC(C)(C#N)CCCSCCOCC1CCC1 419637117 FRHMWDVUSOWQSV-UHFFFAOYSA-N 255.427 3.866 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)Cc1occc1C 412028238 RKNILOXWNCOKJM-UHFFFAOYSA-N 272.323 3.621 30 20 CHED CCC1(CC)CCCN(C(O)=Nc2ccnnc2C)CC1 329913070 XCFWBKYKZGQTPH-UHFFFAOYSA-N 290.411 3.623 30 20 CHED N#C[C@@H](NC(=O)CC1CCCCCC1)c1ccccc1F 505938951 RKHJDDPBHOHHGV-MRXNPFEDSA-N 288.366 3.867 30 20 CHED CCN(c1ccc(NCc2cc(C#N)n(C)c2)cc1)C(C)C 190813996 VCRDCCFJQOUERK-UHFFFAOYSA-N 296.418 3.744 30 20 CHED Cc1nc(Cl)ccc1NCc1ccc(C#N)s1 193341390 WOJKQVGWZIXMTN-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CC(C)(C#N)CCN[C@@H]1CCC[C@H]1c1ccccc1 133448459 SOXLCXOOVGAUBX-JKSUJKDBSA-N 256.393 3.852 30 20 CHED C#CCOC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 49005710 LNQLBQBKNVAKGY-CSKARUKUSA-N 286.327 3.744 30 20 CHED C=C(CN[C@@H]1CCC[C@H]1[C@H]1CCCCN1)c1ccccc1 423034654 XVOQDJGUCWSKAJ-IPMKNSEASA-N 284.447 3.600 30 20 CHED CCOc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)n1 425364080 DWAUSHUORGUKTO-AWEZNQCLSA-N 295.386 3.545 30 20 CHED CCC(C)(C)CNCc1cccc(OCCCC#N)c1 192352472 QALYEZMZFDIGOG-UHFFFAOYSA-N 274.408 3.895 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccccc2C2CC2)C1 612406894 WKCCEGKFBXUDPO-QGZVFWFLSA-N 254.377 3.690 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(Br)ccc1C 136196579 DNXQBRQNSDDARU-ZDUSSCGKSA-N 295.180 3.636 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@@H]1C(C)C)c1ccccc1 428016403 IKELMBAQFWTCQQ-HZPDHXFCSA-N 257.377 3.603 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc2c(c1)COC(C)(C)O2 426567536 WKJCRBUNOGVKMS-MRXNPFEDSA-N 287.403 3.872 30 20 CHED Cn1cc(CN[C@@H](CC2CCC2)c2ccccc2)cc1C#N 191569172 BQXFYWYYMPUGFA-IBGZPJMESA-N 293.414 3.918 30 20 CHED CC(C)(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 425649422 JQHTVKMJXOBBBI-IMJJTQAJSA-N 299.418 3.765 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(NC)ccc1Cl 425233225 GFQVQFIEQLTPIG-NSHDSACASA-N 280.799 3.856 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccccc2N2CCCCC2)C1 193272069 OARKOXLYNCDRNP-AEFFLSMTSA-N 297.446 3.849 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2cc(C#N)cs2)c1 84108754 KBJDDJDDLVDOOG-LBPRGKRZSA-N 284.384 3.728 30 20 CHED CCn1c(-c2cccs2)nc2cc(C#N)ccc21 86635448 IISYNHFTNRCPLF-UHFFFAOYSA-N 253.330 3.656 30 20 CHED Cc1cccc(CCNC2CC(C#N)(c3ccccc3)C2)c1 237937316 ZYNHUNIOPMPQOU-UHFFFAOYSA-N 290.410 3.751 30 20 CHED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC[C@H](C)F 334476657 NXHYTVLAVXVFKX-JTQLQIEISA-N 292.741 3.583 30 20 CHED CC1(C)C[C@@H]1CNc1ccc(C#N)c(Br)c1 232968956 WPHRXCCKRFHLQG-SNVBAGLBSA-N 279.181 3.779 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccc2cc(C#N)ccc2n1 92890351 KEZRFQCYSZZBFR-UHFFFAOYSA-N 298.349 3.615 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C 514446984 TWZBVXCOPYYDAZ-NVXWUHKLSA-N 286.419 3.963 30 20 CHED C=C(C)COCCN[C@H](C)c1sc(C(C)C)nc1C 90451102 URERSHRKQJYTQG-GFCCVEGCSA-N 282.453 3.818 30 20 CHED C=CCN(C)C(=O)CCCC(=O)c1c(C)cc(C)cc1C 428289833 VLRNZQVTCJHSGL-UHFFFAOYSA-N 287.403 3.609 30 20 CHED Cc1ccc(C)c2c(C)c(/C(O)=N/[C@H](C)C[C@@H](C)O)oc12 330808105 LSXWOHWQPPGOPO-VXGBXAGGSA-N 289.375 3.822 30 20 CHED CCCCCCCCC(=O)NCc1ccc(OC)c(O)c1 143963122 UMKIRMDIGDMCBD-UHFFFAOYSA-N 293.407 3.768 30 20 CHED C[C@@]1(C(O)=Nc2scnc2C2CC2)C[C@H]2CC[C@H]1O2 330108132 NDNBVDYBTNDGKK-GPCCPHFNSA-N 278.377 3.566 30 20 CHED CCCc1csc(NC(=O)c2cccc(C#N)c2C)n1 337797632 GFQQGKZOQZDJEI-UHFFFAOYSA-N 285.372 3.528 30 20 CHED CCCCCOc1ccc(CN(CC)CC#N)cc1 92399012 ALXXSWBSXWWYBE-UHFFFAOYSA-N 260.381 3.601 30 20 CHED Cc1nc(CN(C)CCCCC(C)(C)C#N)cs1 234272980 PJECFXCXWJUHPR-UHFFFAOYSA-N 265.426 3.603 30 20 CHED N#C[C@H](NC(=O)c1sccc1C1CC1)C1CCCCC1 432993921 FCTYEXBMLNHJSU-AWEZNQCLSA-N 288.416 3.828 30 20 CHED N#C[C@H](C(=O)c1ccc(SC2CC2)cc1)c1ccccn1 340975261 SEQGTVGWSTWPTQ-HNNXBMFYSA-N 294.379 3.826 30 20 CHED C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1cccs1 347298541 IHBFPPRVOPQIDG-GFCCVEGCSA-N 296.395 3.529 30 20 CHED C[C@H](CC1CCCC1)C(=O)N1CCCC(C)(C)[C@@H]1C#N 434032505 RRJMODICXVJMQD-HIFRSBDPSA-N 276.424 3.744 30 20 CHED N#Cc1cccc(NC(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 435728710 PLAUUTSNKJGCMQ-JCNLHEQBSA-N 291.354 3.626 30 20 CHED N#CCCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 342640818 CXBVGYOHQOFRNC-QWRGUYRKSA-N 297.185 3.517 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cccnc1C 348872789 CQPIPJGPBQMOIO-UHFFFAOYSA-N 298.434 3.746 30 20 CHED COc1cc(Nc2nc(C)ccc2C#N)ccc1OC(C)C 342847798 HHOAUHDWJQCLLL-UHFFFAOYSA-N 297.358 3.801 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C[C@H](C)CCC#N 602476475 OMTKQDSEMKMVHS-VYDXJSESSA-N 256.393 3.804 30 20 CHED CO[C@H](CNC[C@H](C)CCC#N)c1cccc(Cl)c1 602563587 YRYFIKNBSXAZHK-IUODEOHRSA-N 280.799 3.557 30 20 CHED C=CCCCCCN(C)C(=O)Nc1nc(CC)cs1 438587688 YNCUXCGBJIGUAA-UHFFFAOYSA-N 281.425 3.916 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(C#N)s1 255499957 OBCSVNJBEVGRGB-CLFYSBASSA-N 283.352 3.915 30 20 CHED CC1(C)CCCN(C(=O)C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1C#N 341643231 KHTZSTKZWKVTFH-GVDBMIGSSA-N 296.414 3.721 30 20 CHED Cc1ncc([C@@H](C)NCCC2(C#N)CCCCC2)s1 602954392 CSZOBYPVUHBVKZ-GFCCVEGCSA-N 277.437 3.966 30 20 CHED CN(Cc1cccc(C#N)n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 602666228 YWOCJMDGVYHXAM-VDISTLRHSA-N 297.324 3.506 30 20 CHED COc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1F 255216079 APRRXCWYRKSPLY-WUXMJOGZSA-N 286.277 3.796 30 20 CHED C[C@H](CCC#N)CN(Cc1cccs1)C[C@@H]1CCCO1 602435607 IMDVMUSOWHWXSW-CABCVRRESA-N 292.448 3.669 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC1CC(c2ccc(Cl)cc2)C1 449548093 LKYHDUXFXHHERN-BNICSPFPSA-N 291.822 3.909 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 255414693 DGOSNIGHGCGQSF-UPHRSURJSA-N 295.266 3.831 30 20 CHED CCc1ccc(CN(C)C(=O)[C@]2(C#N)CC23CCCC3)cc1 448573818 RPEKOOADMBNNLS-LJQANCHMSA-N 296.414 3.681 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)Nc1cccc(CC#N)c1 602683330 XIKFDAUPJUMRDE-KDOFPFPSSA-N 280.371 3.941 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1ccc(CC#N)cc1 533884991 RSCJFYXMYRVMIZ-CQSZACIVSA-N 272.392 3.699 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)C1CCC(F)(F)CC1 449547374 HYVUXVXYHZEKIG-YUTCNCBUSA-N 273.367 3.524 30 20 CHED C=CCCCc1nc(-c2cc3ccccc3o2)no1 445654231 KLLDKWFMEHRFAO-UHFFFAOYSA-N 254.289 3.992 30 20 CHED COc1ccc2oc(CN(CCC#N)C(C)C)cc2c1 535077270 IAHWVENKQRBBJP-UHFFFAOYSA-N 272.348 3.565 30 20 CHED Cc1ccc(C2(CNC[C@@H](C)CCC#N)CC2)c(C)c1 602675181 SMWFVPCKJDPVJB-HNNXBMFYSA-N 270.420 3.865 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cc2c(Cl)cccc2s1 604437324 ODWMKLPHWCEINN-SECBINFHSA-N 292.791 3.786 30 20 CHED C=CCCCC[C@@H](C)NC1CCC(COC)CC1 449245417 ASHLYOQZMBXWTI-QQFBHYJXSA-N 253.430 3.916 30 20 CHED CC(C)[C@H](C)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 269747362 YYAIZFHQFKVYKT-GOEBONIOSA-N 287.407 3.717 30 20 CHED C=CCCC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 264011410 VJMBSUUFAXJNSB-UHFFFAOYSA-N 283.371 3.773 30 20 CHED Cc1cc(C#N)cc(NCc2ccnn2C2CCCC2)c1 449761051 UGDXTPJWVZEOHL-UHFFFAOYSA-N 280.375 3.790 30 20 CHED CC(C)(C)c1cnc(NC(=O)c2ccc(CC#N)cc2)s1 533936301 ABTMMXGJYSMYAA-UHFFFAOYSA-N 299.399 3.759 30 20 CHED CCC1(CNCc2ccc(C#N)c(Cl)c2)CCOCC1 619748698 LOVIHWAIPKDQHV-UHFFFAOYSA-N 292.810 3.508 30 20 CHED CC1(C)CCCCN(c2c(C#N)nnc3ccccc23)C1 445675012 VZIBOMXBLGTGTR-UHFFFAOYSA-N 280.375 3.518 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC1Cc2ccccc2C1 358217236 DMFZVDBNYAPMEE-HXUWFJFHSA-N 288.394 3.693 30 20 CHED C=CCOc1ccc(CN2CCC[C@H]2CC)cc1OC 352653620 YHBHBUAMBBFKJR-OAHLLOKOSA-N 275.392 3.634 30 20 CHED CC1(C)CCCN(C(=O)C[C@@H]2CCc3ccccc32)[C@@H]1C#N 617987523 APHHNMAXVVHQGC-DOTOQJQBSA-N 296.414 3.647 30 20 CHED N#Cc1ccccc1CSCCN[C@H]1C[C@H]2CC[C@H]1C2 356675629 LOEUUTPUWDPLSU-ZQIUZPCESA-N 286.444 3.570 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C(C)C)cn2)C1 617778525 INCDMMYFFLILTF-AWEZNQCLSA-N 272.392 3.633 30 20 CHED C=CCCCCCN(C)c1ncnc2ccc(F)cc12 352246522 IBRFEOALRHFRRY-UHFFFAOYSA-N 273.355 3.952 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(CC#N)cc1 535347548 QCZFFRYLMSHTLM-WBVHZDCISA-N 284.403 3.841 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCC2)cc(C(F)(F)F)c1 617127061 LKYNSAKRZJUMRS-UHFFFAOYSA-N 282.265 3.646 30 20 CHED C=Cc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618890790 LYNZUGCSKFEIMG-GOSISDBHSA-N 288.350 3.619 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)NCC(C)(C)CCC#N 358744751 WNXKAEPYRJBQRY-GFCCVEGCSA-N 293.436 3.780 30 20 CHED CC1(C)CCCN(C(=O)c2cc3occc3s2)[C@@H]1C#N 617985976 INWBVSRYHMYXAD-CYBMUJFWSA-N 288.372 3.649 30 20 CHED CC[C@H](NCc1ccnc(SC)c1)c1ccc(C#N)cc1 447586227 MWFCDMDRHLIYQL-INIZCTEOSA-N 297.427 3.916 30 20 CHED Cc1nc(N2CCC[C@@H]2c2cccnc2)c(Cl)cc1C#N 359843981 RMLNLCURAKVEGV-OAHLLOKOSA-N 298.777 3.652 30 20 CHED C=CCCCCCN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 533289685 VDKRHIKJXJGADT-OAHLLOKOSA-N 299.418 3.563 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@@H]1c1cccc(F)c1 610966928 GGSDLYFTKJFXLQ-QGZVFWFLSA-N 296.345 3.653 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ncoc2-c2ccccc2)C1 617784651 WJCLJPYZVDPCRU-CQSZACIVSA-N 296.370 3.770 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CCC(C)(C)c1ccccc1 611082057 FYTJEVGXWYPNCQ-MRXNPFEDSA-N 286.419 3.799 30 20 CHED CCN(CCC(F)(F)F)c1ncc(Cl)c(C)c1C#N 612074269 AFIXJLGYZZTCFC-UHFFFAOYSA-N 291.704 3.694 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(Cl)c1F 454257655 LHGKPRLYSARJPF-UHFFFAOYSA-N 256.708 3.567 30 20 CHED C[C@@H](CCc1cccc(F)c1)NCC(C)(C)CC#N 459728935 JPJRFIAMPLZGNW-ZDUSSCGKSA-N 262.372 3.676 30 20 CHED C=CCN(C(=O)NCc1ccc(C(C)(C)C)cc1)C1CC1 540110229 FBMLFQNINLDEAI-UHFFFAOYSA-N 286.419 3.844 30 20 CHED CC(C)[C@H]1C[C@@H](/N=C/c2cc3ccccc3nc2O)CCO1 271313711 MMEXKSFZLXUCIC-DUBSOOLMSA-N 298.386 3.563 30 20 CHED C=CCCc1noc(-c2sc(CCC)nc2C)n1 453249974 WTFDHZJIDVUHJJ-UHFFFAOYSA-N 263.366 3.573 30 20 CHED C=CCCC(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 458044444 AMCOFWPZKIDBOU-JKSUJKDBSA-N 257.377 3.747 30 20 CHED CC[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)C1CCCC1 455513952 KMQVSKZJAZCDOF-QGZVFWFLSA-N 299.418 3.668 30 20 CHED C=CCC[C@H](C(=O)N1CC(CC)C1)c1ccccc1 457280888 RRPWTVAOJOVRDI-INIZCTEOSA-N 257.377 3.605 30 20 CHED CC#CCCCC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 278911710 KSKXQJJUSKQHRP-WMZOPIPTSA-N 283.415 3.893 30 20 CHED N#Cc1ccccc1OCCn1ccc(-c2ccccc2)n1 360283977 COXWAEJCLIFWAC-UHFFFAOYSA-N 289.338 3.501 30 20 CHED C=C[C@](C)(CC)c1nc(CC2CC(F)(F)C2)no1 453367789 RUUKRUXIRHJPIB-GFCCVEGCSA-N 256.296 3.511 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)c1ccc(Cl)cn1 278390521 ZVDYMNNCBZJITI-GOSISDBHSA-N 284.812 3.563 30 20 CHED CC#CCN[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 544462066 NDNIPCDLDPPOPB-VXGBXAGGSA-N 269.310 3.810 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H](C)c1ccco1 626391785 LGUNGHMVRUOYGG-AWEZNQCLSA-N 287.359 3.624 30 20 CHED C=CCC[C@@H](CC)N[C@@H](Cc1nc(C)no1)c1ccccc1 277119877 NLNVSJBEWVECRT-SJORKVTESA-N 299.418 3.996 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2c2ccccc2)C1 274581613 CPMFVHYYMQJMQN-IWCQGFGOSA-N 254.377 3.605 30 20 CHED C=CCN(C(=O)[C@]1(c2ccccc2)CC1(C)C)C1CC1 622837081 AIJWONNXGDQJEK-GOSISDBHSA-N 269.388 3.531 30 20 CHED C=CCN(C(=O)CSc1nccc2ccccc12)C1CC1 271363352 GSRKYYJYAGHFCP-UHFFFAOYSA-N 298.411 3.504 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)CCC1CCCCC1 549253403 UPNUGPUIZIIJCB-UHFFFAOYSA-N 276.428 3.569 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1ccc(C)cc1 468474440 FWSCJLCLBQZSIO-IXDOHACOSA-N 256.393 3.913 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](C2CC2)C1 549294300 UFJGELQWDQOYPA-ZFWWWQNUSA-N 288.439 3.604 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 468018029 XFSQQJHSYFAXII-WBMJQRKESA-N 295.810 3.826 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC[C@@H](c2ccccc2)C1 376996231 VIBXIYYFERWLBM-MRXNPFEDSA-N 299.418 3.515 30 20 CHED C=C(C)Cn1c(N2C[C@@H](C)C[C@@H]2CC)nnc1C(C)(C)C 460574909 NSTJWSWHDZMJGF-KBPBESRZSA-N 290.455 3.777 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1cccc(F)c1)C1CC1 466326656 TYHRFGTVVYZPJQ-HNNXBMFYSA-N 290.382 3.854 30 20 CHED Cc1ccc([C@@H]2CCCN2c2ccc(C#N)nc2)cc1 378010509 YJOJEPSORKBARH-KRWDZBQOSA-N 263.344 3.603 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](CC)CC(F)(F)F 620864380 BWQGPPNYOZZHSZ-JTQLQIEISA-N 265.319 3.826 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2C[C@H](c3cccc(F)c3)C2)C1 280534098 ACMUVWIUIWWQSH-CSFVBSKPSA-N 272.367 3.744 30 20 CHED N#Cc1cc(F)c(N[C@H]2C[C@H]2Cc2ccccc2)c(F)c1 462875678 SVEYTCPJINWSMC-CJNGLKHVSA-N 284.309 3.880 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@](C)(C#N)CC)c1 285411139 UXQLDGHYMXSFEI-INIZCTEOSA-N 272.348 3.520 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCc1ccc(Cl)cc1 559819040 YKUWNSZWLLVGTG-UHFFFAOYSA-N 279.811 3.943 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1Cl)[C@H](C)C(C)C 288726502 ZKXFMFXOXCRQGE-LLVKDONJSA-N 278.783 3.718 30 20 CHED CN(Cc1cccc2ccccc12)[C@H]1CC[C@H](C#N)C1 555314731 NJYHONBOOVXFFC-YOEHRIQHSA-N 264.372 3.964 30 20 CHED CC(C)(C#N)CCOc1cnc2ccc(F)cc2c1 282135120 AIUWLBNQILJGAS-UHFFFAOYSA-N 258.296 3.693 30 20 CHED C[C@H](CC#N)NC(=O)Nc1cc(Cl)c(Cl)cc1F 281345396 NETAMQSMFBAJDO-ZCFIWIBFSA-N 290.125 3.556 30 20 CHED Cc1cc(C(=O)/C=C/c2cn(C(C)C)nc2C)ccc1O 280991684 MRNAIPUPUVZEAN-SOFGYWHQSA-N 284.359 3.683 30 20 CHED C=CCN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C 558169639 MKTKLOJHBWAGHT-OAHLLOKOSA-N 294.826 3.907 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2cscn2)n1 551492418 PUTMINQKASWUAB-AATRIKPKSA-N 261.350 3.550 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1ccccc1CC#N 559250065 JJCWCPIFERQZOS-CYBMUJFWSA-N 270.376 3.908 30 20 CHED CC(C)c1ccc(C(=O)Nc2[nH]nc(C3CC3)c2C#N)cc1 290599069 REQOFRNLXBJKTO-UHFFFAOYSA-N 294.358 3.534 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1C 474081089 JCWLECZPROLVLI-UONOGXRCSA-N 252.402 3.563 30 20 CHED C#Cc1ccc(CNCCCCc2nc(C)cs2)cc1 809613187 NGEZKKYSMFAHLO-UHFFFAOYSA-N 284.428 3.545 30 20 CHED N#Cc1cccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 556883379 KVIMLCMCFVIZMN-QGZVFWFLSA-N 280.346 3.687 30 20 CHED COc1cc(NC2CC(C#N)(c3ccccc3)C2)ccc1F 389605235 VYIIJRYAXMOHGS-UHFFFAOYSA-N 296.345 3.870 30 20 CHED C#C[C@H](C)NCc1c(OC(F)F)ccc2ccccc12 809683330 ZEVKOEZCSZOBHF-NSHDSACASA-N 275.298 3.553 30 20 CHED C=CCOCCCN1CCC[C@H](c2ccccc2)CC1 470778620 GPETUHJLGTYNAU-SFHVURJKSA-N 273.420 3.849 30 20 CHED Cc1ccccc1C(C)(C)NCc1cccc(C#N)c1 293076068 VWXCYUBLMKPJRL-UHFFFAOYSA-N 264.372 3.892 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 294827404 QUJMUMJFJYHOKW-HUUCEWRRSA-N 261.409 3.792 30 20 CHED C[C@H](CN1CCO[C@H](c2cccc(C#N)c2)C1)C(C)(C)C 802641877 JNDHKBOZYIZCFO-PBHICJAKSA-N 286.419 3.614 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(OCCCC)cc1Cl 472339419 CLJAFQVXZJTBIM-NSHDSACASA-N 281.783 3.823 30 20 CHED CN(Cc1ccc2ccccc2c1)[C@@H]1CC[C@@H](C#N)C1 568419696 JTHHPERLVFESHH-RDTXWAMCSA-N 264.372 3.964 30 20 CHED N#Cc1ccnc(N[C@@H]2CCCc3sc(Cl)cc32)n1 295660938 IBVLTIZBWLZYKB-SNVBAGLBSA-N 290.779 3.553 30 20 CHED CCc1cccnc1C(=O)Oc1cc(C)c(C#N)c(C)c1C 809035231 YREHKVNLTKAJIZ-UHFFFAOYSA-N 294.354 3.660 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](c3ccncc3)C2)CCC1 560531197 YTIWHFMUYCBFTH-INIZCTEOSA-N 284.403 3.534 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC2(CCCC2)C1 800775433 QJGBIAURCREPDN-UHFFFAOYSA-N 286.423 3.502 30 20 CHED C#C[C@H](C)NCc1ccc(OCc2ccccc2F)cc1 809683984 UNYZJPLXRICAIP-AWEZNQCLSA-N 283.346 3.516 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)oc1C 562635551 ZUSXFEGZBHHOEJ-IUODEOHRSA-N 274.364 3.548 30 20 CHED CCCN(CCc1cccs1)[C@H]1CC[C@@H](C#N)C1 299201256 FRNIPLRPQVLRFD-KGLIPLIRSA-N 262.422 3.695 30 20 CHED C#Cc1ccc(CNC(C)(C)c2cccs2)cc1 809620768 VGDKAWVTWQHZLD-UHFFFAOYSA-N 255.386 3.754 30 20 CHED Cc1nc(S[C@@H](C)c2ccc(C#N)cc2)[nH]c1C 292611562 ITKUCNUGMVBBJZ-NSHDSACASA-N 257.362 3.752 30 20 CHED CCCCCCCCNC(=O)Nc1ncc(COC)s1 806611071 JRCLOYOSGHHJIF-UHFFFAOYSA-N 299.440 3.772 30 20 CHED C#Cc1ccc(CNc2ccc(NC(C)=O)c(Cl)c2)cc1 809596640 MVUUMXSIGNHLHO-UHFFFAOYSA-N 298.773 3.892 30 20 CHED C#C[C@H](NC(=O)[C@H](C)[C@@H](C)CC)c1ccc(Cl)cc1F 804422973 CCCDMJRAXGAYSM-RWSFTLGLSA-N 295.785 3.952 30 20 CHED CC(C)(NC(=O)c1cccc(CC#N)c1)c1ccccc1F 561706343 GOQLFPDKWFFPOO-UHFFFAOYSA-N 296.345 3.557 30 20 CHED Cc1ccc([C@@H](O)[C@@H](C)Nc2cccc(F)c2C#N)cc1 804810654 YGELMOSTDUYIGL-PXAZEXFGSA-N 284.334 3.540 30 20 CHED C[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)[C@H]1c1ccccc1 565015766 PWSHIBDMDROBIJ-IDHHARJASA-N 294.398 3.680 30 20 CHED C=CCC[C@H](CCC)Nc1ccc2c(c1)nnn2C 647331605 FHJYTDDCYAMOMK-LBPRGKRZSA-N 258.369 3.515 30 20 CHED Cc1ccc2ncc(C#N)c(OCCSC(C)C)c2c1 488266303 SBJAGYCGXASAPK-UHFFFAOYSA-N 286.400 3.935 30 20 CHED Fc1ccc(NN=C/C=C/c2ccco2)c(F)c1F 814945651 JZTJGMNQRRFJCU-RMWVHLTFSA-N 266.222 3.808 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NN=c1cc[nH]c2ccccc12 814841943 ZPBXQCVVQZIOHP-AWEZNQCLSA-N 292.386 3.774 30 20 CHED C=CCC(F)(F)C(=O)N1CCC(C2CCCC2)CC1 815714642 CFXJWPMOKQPUIZ-UHFFFAOYSA-N 271.351 3.627 30 20 CHED Clc1ccc2c(c1)C(=NNc1cccc(Cl)n1)CO2 814939260 KJIPMOKHXTXENZ-UHFFFAOYSA-N 294.141 3.597 30 20 CHED C#C[C@H](NC(=O)C1CC(C)(C)C1)c1ccc(Cl)cc1 811948124 YNJGXHFQLSUDGR-AWEZNQCLSA-N 275.779 3.567 30 20 CHED C=C(C)CNC(=O)c1ccc(OCCC)cc1OC(C)C 480318448 ZWSUVBVPBRPBNV-UHFFFAOYSA-N 291.391 3.569 30 20 CHED N#Cc1ncccc1SC[C@H]1CCC2(CCCCC2)O1 573385976 OWSUUEOZAZHTNI-CYBMUJFWSA-N 288.416 3.927 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1cc(Cl)nc(Cl)c1 819828961 WSFGVCSGPOFPLM-VIFPVBQESA-N 288.178 3.603 30 20 CHED C=CCCCCOC(=O)CSc1nc2ccccc2o1 811009419 WHVHBRGAVBCZRX-UHFFFAOYSA-N 291.372 3.819 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccc(/C=C\C)cc1 572642570 LDGURTBKKUXIRY-ALCCZGGFSA-N 272.392 3.556 30 20 CHED CSc1ccc(C=NNc2cccc(C#N)c2)s1 814787000 TUCHMDNJZLDCBO-UHFFFAOYSA-N 273.386 3.788 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](c2ccncc2)C1 572464379 UTHXRYKMUMUTKQ-RDTXWAMCSA-N 277.371 3.504 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572820073 JHNDOGRXCJZBNX-LTCQIXDTSA-N 296.414 3.603 30 20 CHED Cc1c(C=NNC2CCCCC2)n(C)c2ccccc12 814910314 STETUGOFVXZULA-UHFFFAOYSA-N 269.392 3.743 30 20 CHED Cc1nc(N2Cc3ccccc3C3(CCC3)C2)ccc1C#N 487720679 NRIHXVQVFVLSQK-UHFFFAOYSA-N 289.382 3.704 30 20 CHED C#CCCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 810075181 GIONVZKLRXYJAO-LJQANCHMSA-N 279.383 3.592 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@@H](C(=O)O)[C@@H](C)C1 814858744 FQDWWMXKNZJPGK-KCQAQPDRSA-N 282.428 3.812 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccn(C(C)C)c2C)c1 815377661 CTEXYQVQFYMQLG-UHFFFAOYSA-N 280.371 3.635 30 20 CHED CCCC(=NOCc1ccc(F)cc1)c1cccnc1 814903558 OWDLJWZCJXSCMJ-UHFFFAOYSA-N 272.323 3.942 30 20 CHED C=CCn1cccc1C(=O)N[C@H](c1ccccc1)C1CC1 488374802 PSGMHZSKYONPTE-QGZVFWFLSA-N 280.371 3.555 30 20 CHED COc1ccccc1[C@H](CC(C)C)NC(=O)C#CC(C)C 829477797 RCNFPKMEILUQOR-INIZCTEOSA-N 287.403 3.558 30 20 CHED Brc1ccc(CNN=C[C@@H]2CC=CCC2)cc1 726740100 SAFXXANCIJHIAD-GFCCVEGCSA-N 293.208 3.881 30 20 CHED CC(C)C#CC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 820046766 LZTZPCQPBFKYSZ-CYBMUJFWSA-N 293.819 3.653 30 20 CHED CC(C)C#CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 821282402 YYSZMQNGRNZIMU-UHFFFAOYSA-N 294.354 3.817 30 20 CHED CCCCCCCCCNC(=O)c1ccc2c(c1)CNC2 826599015 YDIHRDHOYYMXDH-UHFFFAOYSA-N 288.435 3.770 30 20 CHED C=CC[C@H](C)C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 727779606 LZMHHUZIAKSBOY-VIFPVBQESA-N 292.295 3.503 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2c(C#N)cccc2[N+](=O)[O-])o1 571076019 IGMBRSRNPWABPH-GXFFZTMASA-N 297.314 3.795 30 20 CHED C#CCCOC(=O)CCCOc1cccc2ccccc12 727041945 PCADGBFIGNOYRF-UHFFFAOYSA-N 282.339 3.565 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(OC)ccc2F)C1 666312657 VBCPJNLLTJTKES-GFCCVEGCSA-N 292.354 3.654 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C#CC(C)C)o1 829246583 WFPJFHVHHBQYGO-ZFWWWQNUSA-N 273.376 3.547 30 20 CHED C=CCNC(=O)Nc1ccc(OCC2CCCCC2)cc1 498926130 UQFRVDIBFLPDKN-UHFFFAOYSA-N 288.391 3.953 30 20 CHED N#Cc1cc(F)ccc1COC(=O)CC1CCCCC1 728612439 MYUMKAACTNIDPS-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C#CCCOC(=O)c1cc(C)n(C2CCCCC2)c1C 727042138 SZLAGXQXPARWAE-UHFFFAOYSA-N 273.376 3.790 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccc(O)cc1)CC1CC1 901128549 XPGKWNHISGYZPE-UHFFFAOYSA-N 287.403 3.733 30 20 CHED N#CCCCCCc1nc(Cc2ccc(F)cc2F)no1 589089123 DYLRONBFRSMMHD-UHFFFAOYSA-N 291.301 3.565 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2cccc([N+](=O)[O-])c2)o1 732761887 PEHPBGSFXKBRAB-YGRLFVJLSA-N 285.303 3.757 30 20 CHED CC(Cn1nc(C)cc1C)=NO[C@H](C)c1ccccc1 902699419 HEWURSNDDNNWHP-OAHLLOKOSA-N 271.364 3.654 30 20 CHED C=CCC[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)O 901692194 JTVUTJYCNNSTAI-DGCLKSJQSA-N 273.332 3.503 30 20 CHED CC[C@H](NCc1ccc(C)o1)c1cccc(C#N)c1 903077294 HULYMCQJMOWMIT-INIZCTEOSA-N 254.333 3.701 30 20 CHED CCCCCNC(=S)NN=C(CC)Cc1cccs1 730947560 WZKAPOIERFSJFC-UHFFFAOYSA-N 297.493 3.711 30 20 CHED CC#CCN(C)C(=O)N[C@H](C)c1csc2ccccc12 838322085 BYHKISCSYCNAHN-GFCCVEGCSA-N 286.400 3.627 30 20 CHED Brc1cccc(NN=C2CCCC23CCC3)n1 835023155 BDQSAKZETMNGJH-UHFFFAOYSA-N 294.196 3.966 30 20 CHED C=CCC[C@H](CC)N[C@@H](C(=O)O)c1cccc(C)c1C 901852463 NIHBPQWCYRZPSY-GOEBONIOSA-N 275.392 3.764 30 20 CHED C=C1CCN(C(=O)[C@H]2CCC[C@H]2Cc2ccccc2)CC1 668303910 XZVVPQPNHGXRCO-ROUUACIJSA-N 283.415 3.824 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2cncc(F)c2)c1 737446561 VWUGYTFDDAOXOQ-HWKANZROSA-N 259.255 3.564 30 20 CHED CC(C)N(CCC#N)Cc1cc(C(C)(C)C)cc(O)c1O 739844126 BVJOPOOEGRGCBG-UHFFFAOYSA-N 290.407 3.519 30 20 CHED N#Cc1ccc(COC(=O)c2ccc3[nH]ccc3c2)c(F)c1 730857619 UMPWHKCXUCQSOM-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C=CCC1(C(=O)N=[S@@](C)(=O)c2cccc(F)c2)CCC1 906345464 OWVJEVCKLZMWBB-FQEVSTJZSA-N 295.379 3.555 30 20 CHED Cn1cncc1/C=C\C(=O)c1ccc(C(C)(C)C)cc1 901418879 QWJSJZFGPIQBEL-KTKRTIGZSA-N 268.360 3.614 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1F 830499508 XCDHZBKLHNPOEM-LRDDRELGSA-N 288.366 3.738 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)O[C@@H](CC(C)C)c1ccccn1 835223785 NCHFGJWTLMDREO-INIZCTEOSA-N 297.358 3.534 30 20 CHED C=CCC[C@H](C)OC(=O)c1ncccc1SCC 835267569 LJEYOWWEWWZZBC-NSHDSACASA-N 265.378 3.705 30 20 CHED N#CCCCCCc1nc(C2Cc3ccccc3C2)no1 589126226 HYZVCVQMHOUTFC-UHFFFAOYSA-N 281.359 3.578 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)OCCCCC#N 734052764 KMQKCPIPJWDUQX-AWEZNQCLSA-N 251.370 3.830 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccc(C(=O)O)c(F)c2)C1 835009941 IVSHUSCIRFIULA-MNOVXSKESA-N 278.327 3.748 30 20 CHED Cc1nc(Cl)ccc1NC(=O)CC1(C#N)CCCCC1 834725850 XEWQRZHJOMKYOG-UHFFFAOYSA-N 291.782 3.846 30 20 CHED CC#CCOC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 835270839 YDXUGZNSRTULQP-JTQLQIEISA-N 270.250 3.533 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C1CCCC1 915975021 BQCWOOYHPVPPJF-UHFFFAOYSA-N 253.689 3.590 30 20 CHED C=CCC1(C(=O)OCc2noc(C3CC3)n2)CCCCC1 838151640 OILQHVKREIJDER-UHFFFAOYSA-N 290.363 3.517 30 20 CHED C=CC(C)(C)COC(=O)Cc1csc(C(C)(C)C)n1 835725471 ASYIPPGLKSXURQ-UHFFFAOYSA-N 281.421 3.739 30 20 CHED Cc1ccc2ccnc(NC(=O)C3(C#N)CCCC3)c2c1 597840793 ARRLXUIRBOSKIP-UHFFFAOYSA-N 279.343 3.566 30 20 CHED C[C@]1(C(=O)OCc2ccc(C#N)cc2)CCc2ccccc21 830269969 FKSSGVQYQKLOND-IBGZPJMESA-N 291.350 3.506 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1 591335550 CJZZCYJTSIZDDO-JJRVBVJISA-N 291.439 3.536 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1csc(C(C)C)n1 834997831 KRMOXQQNCIUQJO-MRVPVSSYSA-N 279.331 3.531 30 20 CHED CCOC(=O)Cc1cccc(-c2ccc(C#N)s2)c1C 592989409 VRQBLIINJQPLHD-UHFFFAOYSA-N 285.368 3.701 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 593983773 ICGFZIGZQRZLRZ-OAGGEKHMSA-N 298.430 3.774 30 20 CHED CCCCCCCC(=O)NCCc1nc2ccccc2o1 743800089 QNMGTGOZPFDWOU-UHFFFAOYSA-N 288.391 3.847 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCc1ccc(C#N)cc1 595551910 ZPRIMUOOYFLSIO-OAHLLOKOSA-N 289.382 3.665 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@@H]1CCC(=O)[C@@H]1C 847743854 JBKBQSIHIUXHDV-LFYQSXPISA-N 292.419 3.916 30 20 CHED Cc1nc(Cl)cc(NN=Cc2cc(C)c(C)cc2C)n1 741767195 RPYKGFSNTSUFKK-UHFFFAOYSA-N 288.782 3.810 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 845623846 SOVDNQWAQAZPPY-OAUYIBNBSA-N 296.370 3.501 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C 590987856 KLUUQDHOJMHZJA-ZENOOKHLSA-N 264.413 3.503 30 20 CHED N#Cc1c[nH]c(C(=O)OCc2ccc(Cl)c(Cl)c2)c1 748223240 SXLQJPATDXOXJE-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC1(SC)CCN(C)CC1 595053157 WEIHYPSZXYRVMX-JKSUJKDBSA-N 296.524 3.538 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593961603 HIKUYOHVZPOESA-QGTPRVQTSA-N 298.430 3.822 30 20 CHED C=C[C@H](C)ONC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 845639528 QUCKDUSBXCTMPK-KBPBESRZSA-N 276.380 3.512 30 20 CHED Clc1cccc([C@H]2CCCC(=NN[C@H]3CCOC3)C2)c1 841635734 OZXOZYSFZQDWQC-BBRMVZONSA-N 292.810 3.732 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)c1cc2ccccc2s1 593459393 VCOOSMJNFQKAAR-QWRGUYRKSA-N 272.373 3.628 30 20 CHED N#Cc1nc(N2CC(C3CCCCC3)C2)sc1Cl 596248265 VIFNITJRRISMPI-UHFFFAOYSA-N 281.812 3.685 30 20 CHED C=CCNC(=S)N(CCCC)[C@H](C)c1ccc(C)o1 745706952 CCRFMRWFGZVOHY-CYBMUJFWSA-N 280.437 3.812 30 20 CHED CC(C)n1cc(C=NNc2ccc(C(F)(F)F)cc2)cn1 746578037 JVVXAYZMNMGTAN-UHFFFAOYSA-N 296.296 3.929 30 20 CHED C(CCc1ccccc1)=NNc1nncc2ccccc12 915914760 XWSNGHSHDWOTRB-UHFFFAOYSA-N 276.343 3.660 30 20 CHED Cc1cc(C=NNCc2ccccc2)c(C)n1CC(C)C 916343654 ABHOJYYSTRXEQU-UHFFFAOYSA-N 283.419 3.885 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](C2CCCCC2)C1 598473146 VWURMQFNWKLBKS-OAHLLOKOSA-N 299.418 3.627 30 20 CHED C#C[C@@H](NC(=O)c1scnc1C(C)(C)C)c1ccccc1 843643045 PSUZUSWOFBORQY-CYBMUJFWSA-N 298.411 3.545 30 20 CHED C=C[C@@H](C)ON=C1CCC(OC2CCCC2)CC1 844621233 XFJVQTWYUSVBCP-KEKZHRQWSA-N 251.370 3.835 30 20 CHED C[C@@](O)(c1ccc(OCC2(C#N)CCC2)cc1)C(F)(F)F 842034792 XFOIEFJUNJYIPZ-CYBMUJFWSA-N 299.292 3.529 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2scnc2C)c1 742435379 WRCMXDDHXNMCRZ-PLNGDYQASA-N 257.358 3.964 30 20 CHED CCCCCCC[S@@](=O)Cc1nnc(C2CC2)s1 841724872 XHPJVHBDFAKRGZ-GOSISDBHSA-N 286.466 3.635 30 20 CHED CCc1oc2ccccc2c1C=NO[C@H](C)c1nnc(C)o1 742352620 VXSGNXPXANALIG-SNVBAGLBSA-N 299.330 3.798 30 20 CHED C#CCCCCCC(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 847043804 MWNJNIGPIDVVQG-GOSISDBHSA-N 296.414 3.856 30 20 CHED Cc1cc(F)ccc1NN=Cc1cc(F)c(O)c(F)c1 750938654 KYRGXMGDNIDKSK-UHFFFAOYSA-N 280.249 3.564 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cccc(Cl)c1)OCC 756481656 LXCZEIMXXORQTG-ZDUSSCGKSA-N 268.740 3.617 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O 756790212 MJQRBVHZOGQNQY-STQMWFEESA-N 291.391 3.574 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H](O)c1ccc2ccccc2c1 925012816 JDWYLWLIJGJNBR-KBXCAEBGSA-N 296.414 3.791 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@H](C)c1cnn(C)c1 851141622 BUWNVCXWVLYRGN-LZWOXQAQSA-N 290.407 3.592 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1ccccc1 851206086 LOWMJFFKZHKLIM-QWHCGFSZSA-N 259.349 3.662 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2nc(C)c(C)s2)C1 853827197 NWOAYYNQKYALKT-LBPRGKRZSA-N 279.409 3.580 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(O)c(F)c2)c1 755563866 GYDFUDNMWMMHGU-UHFFFAOYSA-N 258.296 3.594 30 20 CHED C=CCC(CC=C)C(=O)OCc1cn2ccccc2c1C#N 759009881 GYNSQGUCNZQQOW-UHFFFAOYSA-N 294.354 3.623 30 20 CHED C=CCSCCNC(=O)/C=C/c1ccc(SC)s1 858863782 PFPICUYGLBDQCC-GQCTYLIASA-N 299.486 3.519 30 20 CHED C=CC[C@H](CC)NCc1ncccc1C(F)(F)F 684967563 YNTAVDROQYMHOC-JTQLQIEISA-N 258.287 3.545 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CC[C@H]2C[C@H]2C1 856065960 QHRRPHMAHJMTJR-ULQDDVLXSA-N 295.467 3.747 30 20 CHED C=C[C@@H](CC(=O)OC/C=C/Cl)c1ccccc1 758914354 MMJBBWVAUUYZFB-LZGFCCKTSA-N 250.725 3.642 30 20 CHED C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccncc1 754920618 UCORHOFFOBXEIV-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C[C@H](COC(=O)CC1(C#N)CCCCC1)c1ccccn1 851093099 NHHBEMMUFIXKTI-CQSZACIVSA-N 286.375 3.592 30 20 CHED CCc1ncc(C=NNc2cc(F)c(F)cc2F)s1 752165536 JXFNZGRFURHSEM-UHFFFAOYSA-N 285.294 3.569 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(-c2ccc[nH]2)cc1 752783514 IVXLXUSYKCKLOS-UHFFFAOYSA-N 275.739 3.556 30 20 CHED c1ccc(NN=C2CSCCc3ccccc32)cc1 759179304 MJDRWADGTCYMSV-UHFFFAOYSA-N 268.385 3.792 30 20 CHED O=C(O)c1ccc(NN=C2CCC(=C3CCC3)CC2)nc1 853325285 FNCXSRRMVDJDAZ-UHFFFAOYSA-N 285.347 3.602 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C=C1CCCC1 759223544 HCOFZODJRVODLT-UHFFFAOYSA-N 283.375 3.819 30 20 CHED Cc1sc(/C=C/c2ccccc2C#N)cc1C=O 755600075 XJHDIVUBCSUAFP-VOTSOKGWSA-N 253.326 3.911 30 20 CHED C#Cc1ccc(NC(=O)NC[C@H]2CCCCC2(F)F)cc1 934931210 UYVCUTYRXIRJLR-CYBMUJFWSA-N 292.329 3.615 30 20 CHED CSCCCCCCNC(=O)Nc1sccc1C#N 931837685 LGSUKLXGTBJKGS-UHFFFAOYSA-N 297.449 3.665 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)OC1(CC#N)CCC1 860745957 XYWGHBOWBREGRU-AWEZNQCLSA-N 271.360 3.553 30 20 CHED C=CCN(CC=C)Cc1cc2cccc(OC)c2o1 768136710 CRWMQIWLSVCUDJ-UHFFFAOYSA-N 257.333 3.615 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C/c1ccccc1C(F)(F)F 869739322 GKVQAVDJLOOEAP-AEZGRPFRSA-N 283.249 3.564 30 20 CHED Cl/C=C(/Cl)CON=C1CCOc2ccccc21 763179932 UORRIMQYRRQPLB-PSPAFNIOSA-N 272.131 3.509 30 20 CHED CC(C)(CC#N)CNC(=O)CCc1cccc2ccccc12 868843049 OQOVWHSEQPZLSZ-UHFFFAOYSA-N 294.398 3.828 30 20 CHED C[C@@H]1CC[C@H](CCC(=O)OCCCCC(C)(C)C#N)O1 768751008 IWSKCFGKZBWGTD-ZIAGYGMSSA-N 281.396 3.597 30 20 CHED COc1cc(F)ccc1NN=Cc1cccc(C)c1 761895735 JPTRBQPCLCZZKU-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=C(C)COC(=O)c1cc(C(F)(F)F)ccc1F 761056895 PCBIZKCLUUHXHG-UHFFFAOYSA-N 262.202 3.577 30 20 CHED O=C(O)c1cc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 762410701 MXUXWLAXJDPEPM-DCAQKATOSA-N 292.766 3.872 30 20 CHED C#CCCc1noc(CCCCc2ccc(C)cc2)n1 762007404 PVUNUYHUOXJTLY-UHFFFAOYSA-N 268.360 3.509 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)Cc1cnccn1 768515443 KZORBMWFHYIDAE-CABCVRRESA-N 263.429 3.746 30 20 CHED C#CCN(CC)C(=O)c1ccc(OCCCC)cc1Cl 769885249 FZKWCYSRHITTNP-UHFFFAOYSA-N 293.794 3.614 30 20 CHED C=CCOc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 766745582 MXMLXOLTGPOZKO-GFCCVEGCSA-N 277.364 3.837 30 20 CHED CSC[C@H](C)C(=O)OCc1ccccc1C(C)(C)C#N 768023653 SSBVXICQUZELTI-LBPRGKRZSA-N 291.416 3.530 30 20 CHED C#CCCCN1CCc2cc(Cl)cc(Cl)c2C1 766905441 MBINDGSDDNZOCN-UHFFFAOYSA-N 268.187 3.765 30 20 CHED C=C1CCN(C(=O)Nc2cccc(C(F)F)c2)CC1 864253140 OPYLOOPAZRZMSV-UHFFFAOYSA-N 266.291 3.808 30 20 CHED CC(=O)Oc1ccc(CSc2ccc(C#N)cc2)cc1 760397657 OFXDIMLSLHHODN-UHFFFAOYSA-N 283.352 3.776 30 20 CHED CC(=NNc1ncc(F)cn1)c1ccc(C(C)(C)C)cc1 760266511 YXCVQXHHHKIBAI-UHFFFAOYSA-N 286.354 3.749 30 20 CHED CC(CCC1CC1)=NNc1oc(C(C)(C)C)nc1C#N 768768218 MEBOYYSBKIDEBT-UHFFFAOYSA-N 274.368 3.822 30 20 CHED C#CCCCN(Cc1cc(OC)ccc1OC)C(C)(C)C 766907289 YTLACGRHOBGQSA-UHFFFAOYSA-N 289.419 3.718 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2cc(F)ccc2[C@H]1C 879211391 GTMPTNJWOMGAPC-GFCCVEGCSA-N 275.367 3.874 30 20 CHED C#CCCCCCCNc1ccc2c(c1)N(C(N)=O)CCC2 877482341 DSOHXRKEUDYYMV-UHFFFAOYSA-N 299.418 3.514 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1ccc2[nH]ncc2c1 779815954 HYQZYHZKLSHNNA-NSHDSACASA-N 276.343 3.571 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(F)c(C#N)c2)ccc1O 770574166 WUBXSCCWTSXEQK-UTCJRWHESA-N 281.286 3.608 30 20 CHED C=C(Cl)CN[C@@H]1CC2(CCC2)Oc2ccccc21 773005849 USYMPFZPWBPOOJ-CYBMUJFWSA-N 263.768 3.775 30 20 CHED Cc1ccc(C(F)(F)C(=O)Nc2ccccc2C#N)cc1 779715901 RVKCDXDUPACFOW-UHFFFAOYSA-N 286.281 3.597 30 20 CHED COc1ccc2cc([C@H](C)NCC3(C#N)CC3)ccc2c1 776008329 QLIAGNMBLLDDEI-ZDUSSCGKSA-N 280.371 3.803 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccn(C2CCCCC2)n1 1116812691 HTAYDRMCPBJZSM-UHFFFAOYSA-N 288.395 3.594 30 20 CHED CC(C)CC[C@H]1CCCCN1c1cccc(CC#N)n1 1116662093 PHCLUWYGBUIPEO-MRXNPFEDSA-N 271.408 3.943 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@H](O)[C@H](C)C1 779266281 YRLXZLGGIVSDNA-BBWFWOEESA-N 297.483 3.993 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc2ccc(Cl)cc2[nH]1 776373343 ORRQTORXJSNTJF-UHFFFAOYSA-N 290.750 3.918 30 20 CHED C=C1CCC(C(=O)Nc2cc(C#N)ccc2OCC)CC1 888413948 KTUCEBJIPHVGGX-UHFFFAOYSA-N 284.359 3.642 30 20 CHED CSC(C)(C)CN[C@H]1CCCc2cc(C#N)ccc21 775393160 DSAOWBLVDWAOJC-HNNXBMFYSA-N 274.433 3.667 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(C#N)c(F)c1 776746989 VZNYJTHAKHEUIY-LLVKDONJSA-N 297.308 3.559 30 20 CHED C#CCOc1ccc(CNc2ccc(OCC)c(F)c2)cc1 770494594 KVCRTMXDEKIJNV-UHFFFAOYSA-N 299.345 3.849 30 20 CHED C[C@@H](NCC12CCC(CC1)C2)c1ccc(OCC#N)cc1 776170045 HOZSYCFOJHOYPK-KSTDHSDQSA-N 284.403 3.820 30 20 CHED C[C@@H](NC(=O)c1csc(C#N)c1)c1ccccc1Cl 1128617227 SZEMFEAPTNVRIT-SECBINFHSA-N 290.775 3.764 30 20 CHED Fc1ccc(NN=Cc2cc3ccccc3[nH]2)c(F)c1 788408011 JSRZAABRSWKLOE-UHFFFAOYSA-N 271.270 3.892 30 20 CHED CCCC(=NNc1nccnc1Cl)c1ccsc1 785454220 QTQDGSZZZVLXAD-UHFFFAOYSA-N 280.784 3.808 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C(=O)OC)ccc1Cl 887712740 WMARVMLOXWWNBS-UHFFFAOYSA-N 295.766 3.667 30 20 CHED CCC(=NNc1ccc2c(=O)[nH]ccc2c1)c1cccs1 789062089 MZLXYPAJKCKHIG-UHFFFAOYSA-N 297.383 3.816 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(OC)c2ccccc2c1 887079874 BKXUMPAARQADPD-QGZVFWFLSA-N 282.343 3.727 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CSc3ccccc32)CC1 889046751 GLJISAYEAHFMET-CQSZACIVSA-N 273.401 3.696 30 20 CHED C=C(C)Cn1c(N2CC(C)(C)C[C@@H]2C)nnc1C(C)(F)F 1122429456 DWBUPEPIVHHDKK-NSHDSACASA-N 298.381 3.591 30 20 CHED CN(Cc1cscc1Br)[C@H]1CC[C@@H](C#N)C1 880360298 TWSCQOOOGDXKJA-KOLCDFICSA-N 299.237 3.635 30 20 CHED Cc1nc(C#N)cc(SCc2ccccc2C2CC2)n1 882241635 IFNYGZKGODARCV-UHFFFAOYSA-N 281.384 3.826 30 20 CHED CCCCCCCN1CCOC[C@@H]1CC(=O)c1ccco1 781930348 KZPUGPLXVIYWKC-HNNXBMFYSA-N 293.407 3.524 30 20 CHED CCCCCCCCC(=O)NCc1ncc(CC)o1 788146916 DFHJWNHGWQHJRI-UHFFFAOYSA-N 266.385 3.604 30 20 CHED N#CC1(C(=O)OCCc2cccc(Cl)c2Cl)CCC1 788944406 QHPRNYMDLUPCCP-UHFFFAOYSA-N 298.169 3.773 30 20 CHED CCCN(CC1CC1)c1nc(C)c(C#N)cc1Cl 386900312 YTYPZOAYQBRKMJ-UHFFFAOYSA-N 263.772 3.542 30 20 CHED CC1(C)CC[C@H](C(=O)OCc2cc(C#N)ccc2F)C1 781693709 HJMLBZIGJHKOLI-LBPRGKRZSA-N 275.323 3.567 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NN[C@@H]1CCOC(C)(C)C1 780252149 WXYXGMNBZXNELE-BFHYXJOUSA-N 266.429 3.736 30 20 CHED C=C[C@@](C)(CC)c1nc([C@H]2CC2(Cl)Cl)no1 896810037 KNRYKBQAVJRWLT-XCBNKYQSSA-N 261.152 3.585 30 20 CHED CC(C)(C)OCCCCOC(=O)c1ccc(CC#N)cc1 789081951 ZBXLGBRHGDXHKU-UHFFFAOYSA-N 289.375 3.505 30 20 CHED CCCCCC[C@@H](C)CC(=O)Nc1c(C#N)c(C)nn1C 892623127 AEVMXVNSRAQCSB-GFCCVEGCSA-N 290.411 3.535 30 20 CHED Cc1cc(C(=O)Nc2ccc(Cl)cc2C#N)oc1C 1587283508 RPVSLCRSFYNVNI-UHFFFAOYSA-N 274.707 3.674 30 20 CHED COc1ccccc1CON=C(C)Cc1cccs1 799120049 SFTNGLOELSHXOQ-UHFFFAOYSA-N 275.373 3.892 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1ncc[nH]1 790154318 SOIHPOPWKOVMEX-UHFFFAOYSA-N 269.135 3.553 30 20 CHED FC(F)c1ccc(C=NNCCC(F)(F)F)cc1 794553083 XCGNKLHYEWVINN-UHFFFAOYSA-N 266.213 3.500 30 20 CHED C[C@H](NN=C1CCC[C@H]1c1ccccn1)C(C)(C)C 793115822 PFXCETIQOHUBRX-STQMWFEESA-N 259.397 3.729 30 20 CHED C=CCCCOC(=O)Cc1ccc(C(F)(F)F)cc1 735529080 XCSIVWPQJIXSSB-UHFFFAOYSA-N 272.266 3.757 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2C=CCCCCC2)s1 793399182 PVDYCAYTCTYIOH-LLVKDONJSA-N 261.346 3.665 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)C1 799725675 JKKCABIERXSYER-DNUAJFIVSA-N 281.403 3.779 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1)C(C)C 798556030 ZSTTWFFWLPWHJH-QJPGBWLHSA-N 296.414 3.532 30 20 CHED c1ccc(CON=C2CCC[C@H]2c2ccccn2)cc1 794889466 YBMQDVFEVQDGGM-HNNXBMFYSA-N 266.344 3.922 30 20 CHED CCCCOc1cc(C=NN[C@@H](C)CC)ccc1OC 790182910 NHYFSMRISKPLCL-ZDUSSCGKSA-N 278.396 3.596 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(N2CCCC2=O)cc1 798936409 GKTDHVLMJZYOKJ-ZBFHGGJFSA-N 286.419 3.819 30 20 CHED C=CCOCCOC(=O)C(C)(C)Cc1cccc(Cl)c1 797323796 PZZOCCOISGBGAD-UHFFFAOYSA-N 296.794 3.655 30 20 CHED CCC[C@@H](NCc1cccc(F)c1C#N)C1CCC1 1206239425 GRPWTQNJZATKPY-MRXNPFEDSA-N 260.356 3.756 30 20 CHED C#CCCCNC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 792598961 UIAPIVVARGQBBO-GJZGRUSLSA-N 269.388 3.506 30 20 CHED CC(C)[C@@H](C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572705 GSMGUCUNPOKGQG-MNOVXSKESA-N 278.421 3.909 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cncc(Br)c1 576293375 TZYJLILLOXWKMF-SNVBAGLBSA-N 283.213 3.707 30 20 CHED CC(C)CN(CCC#N)CCOc1cccc(Cl)c1 755670788 SUFLJQZRYIEBFO-UHFFFAOYSA-N 280.799 3.590 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc4c(c3)CCC4)nc2c1 96874378 CKMLHNZBYSHZON-UHFFFAOYSA-N 259.312 3.590 30 20 CHED C=CCCN(Cc1ccccc1)C[C@@H](O)c1ccccc1 796364687 SWGWBUIRBRNLDL-LJQANCHMSA-N 281.399 3.798 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC[C@@H](C3CCC3)C2)n1 1307142829 USTFWASTERIACT-OAHLLOKOSA-N 283.419 3.877 30 20 CHED COCC1(CNc2ncc(Cl)c(C)c2C#N)CCCC1 1163507579 MPRCIPKXFRWBRK-UHFFFAOYSA-N 293.798 3.534 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@]1(C)CCCC[C@@H]1C 1310419274 ZSFKQMWSDSRFDG-YVEFUNNKSA-N 285.391 3.957 30 20 CHED CCC(=NNc1ccc(C)c(Cl)c1)c1nccn1C 1319478970 FMXIHRMPSTWOMU-UHFFFAOYSA-N 276.771 3.608 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(OCC#N)cc2)CCC1 1319138661 TUGNSJICOYGEKF-UHFFFAOYSA-N 286.375 3.744 30 20 CHED CC(C)Oc1ccc(C=NNCc2ccc(F)cc2)cc1 1319750404 DFKFNTYJXWSIRG-UHFFFAOYSA-N 286.350 3.737 30 20 CHED N#CCc1cccc(NCc2cccc3ncccc23)c1 1178736461 DIAMJYGICOKNPY-UHFFFAOYSA-N 273.339 3.913 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1320583443 BOXHBTCXNLUMSS-NSHDSACASA-N 281.758 3.850 30 20 CHED CCCC[C@H]1CCC[C@H]1Nc1cccc(CC#N)n1 1325709982 KNSQZEYVUMPOEA-DZGCQCFKSA-N 257.381 3.918 30 20 CHED C#CCC1(c2nc(-c3ccnc(C)c3)no2)CCCCC1 1323669195 RKPOJEFMLBDDKY-UHFFFAOYSA-N 281.359 3.665 30 20 CHED Cc1ccc(CSCCCOc2ccc(C#N)cc2)nc1 1337310129 KWKQONDVTPWUIB-UHFFFAOYSA-N 298.411 3.964 30 20 CHED CCOc1ccc(C=NNc2ccc(C(C)(C)C)nn2)cc1 1339230949 XDFIFCURHQJNII-UHFFFAOYSA-N 298.390 3.619 30 20 CHED C=C(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1Cl 1338167417 SBEXCPJYQYBNSN-UHFFFAOYSA-N 268.700 3.543 30 20 CHED CC1(C)C(=NNc2ccc(C#N)cn2)C[C@H]1c1ccccc1 1333669408 CJJHBKZNPZTDLH-HNNXBMFYSA-N 290.370 3.935 30 20 CHED C[C@H](CCC#N)CN1CCC(c2nc3ccccc3o2)CC1 1331688544 AYVAUAVYGZSTSV-CQSZACIVSA-N 297.402 3.947 30 20 CHED CCSc1ccccc1CC(=O)Nc1ccc(C#N)cc1 1264212541 KRFNAJXYWCPTIO-UHFFFAOYSA-N 296.395 3.851 30 20 CHED N#Cc1cc(F)cc(NCc2ccccc2N2CCCC2)c1 1262011293 GWARETYUQLJQTN-UHFFFAOYSA-N 295.361 3.910 30 20 CHED C#CC[C@@H](CC)c1nnc(N2CCC=C(C)C2)n1CC(=C)C 1343271125 LYIJQAREZLPLMX-MRXNPFEDSA-N 298.434 3.528 30 20 CHED C=C(C)COC(=O)C1(C(F)(F)F)CCCCC1 1346778360 IEZVAIWBSNPTOJ-UHFFFAOYSA-N 250.260 3.619 30 20 CHED C=C(CC(C)C)C(=O)N1CC[C@H](c2ccccc2OC)C1 1346046213 YYUMGVMLOYMRLB-HNNXBMFYSA-N 287.403 3.613 30 20 CHED CCCCCCCCNC(=O)N1CC[C@@H](OC(C)C)C1 1191068197 IDALIHDLGYKDDD-OAHLLOKOSA-N 284.444 3.556 30 20 CHED Cc1cc(C)cc(N(C)Cc2cccc(C#N)c2F)c1 221982066 XXOABDAIFLBPBZ-UHFFFAOYSA-N 268.335 3.951 30 20 CHED C=C(CC(C)C)C(=O)Nc1cccc(N=S(C)(C)=O)c1 1520231696 QGMUIODIPGSVKN-UHFFFAOYSA-N 294.420 3.587 30 20 CHED CC(C)(C)C[C@@H]1CCN(Cc2ccc(C#N)s2)C1 1460258457 QXFXWODZDISBAH-LBPRGKRZSA-N 262.422 3.878 30 20 CHED Cc1ccc(F)c(C(=O)Nc2cc(F)cc(C#N)c2)c1F 1535371279 AHPKSUZIXXKHFP-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1C[C@@H](C)C[C@@H]1CC 1539800287 ZFKDTXQLMNNXET-GWCFXTLKSA-N 294.830 3.533 30 20 CHED Cc1nsc(N2CC3(CCC3)c3ccccc32)c1C#N 1612248115 QUSPUHFFHIONSN-UHFFFAOYSA-N 281.384 3.897 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCc2ccc(O)cc2)n1 1611826793 YLCHVBLCRAZGAQ-UHFFFAOYSA-N 281.359 3.568 30 20 CHED CNc1ccc(C)cc1CN(C)Cc1cccc(C#N)c1 1560717235 FMOSSCOQNQWLNJ-UHFFFAOYSA-N 279.387 3.540 30 20 CHED C[C@H]1CCC[C@@H](Nc2ncc(C#N)cc2Br)C1 1639264565 HAFSQYZDJWQZGF-GXSJLCMTSA-N 294.196 3.706 30 20 CHED N#Cc1cc(Oc2cncc(-c3ccccc3)c2)ccn1 1642758091 MTTNIFKJVIGENY-UHFFFAOYSA-N 273.295 3.808 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H](C(C)(C)C)C1 1654281595 ZJOSGFDWQLQPIP-MRXNPFEDSA-N 286.419 3.825 30 20 CHED CCCN1CCN(CCC(C)(C)C#N)c2cc(F)ccc21 1654356287 MHRCBEBWUQUBCO-UHFFFAOYSA-N 289.398 3.802 30 20 CHED CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1Nc1nccc(C)c1C#N 1651699491 RWKYEMIPRFJMAR-CFVMTHIKSA-N 287.407 3.513 30 20 CHED C=C(Cl)CNCc1c(Cl)cccc1OC(F)F 1656578867 HPUNHSVXWJGQND-UHFFFAOYSA-N 282.117 3.784 30 20 CHED CCCCCCCC(=O)Nc1cc(F)cc(C(=O)O)c1F 1595705192 RESYHDLUUGQONU-UHFFFAOYSA-N 299.317 3.962 30 20 CHED CC(CC(F)(F)F)=NNc1ccc(C(=O)O)c(Cl)c1 1592451675 FMYFSEIBMUUKJD-UHFFFAOYSA-N 294.660 3.778 30 20 CHED N#Cc1ccsc1NC(=O)NC[C@@H]1CCC[C@@H]1C1CC1 1671450123 XACYAXUVSAVUIB-QWHCGFSZSA-N 289.404 3.568 30 20 CHED C=C(Cl)C[C@@H](NCc1ccc([C@H](C)CC)cc1)C(=O)O 1776142799 LWQZKLLHLUOELS-IAQYHMDHSA-N 295.810 3.886 30 20 CHED CC#CCN[C@@H](c1ccccc1)c1ccc(F)cc1 135020783 ZHQCJBHXYODORW-KRWDZBQOSA-N 253.320 3.528 30 20 CHED Cc1ccnc(N[C@@H]2CCCc3sccc32)c1C#N 135075891 QRDGHBHZPLTTRO-CYBMUJFWSA-N 269.373 3.813 30 20 CHED CC(C)(CCC#N)CNCc1ccccc1OC(F)F 135137933 NRMAYXCVNKLYFY-UHFFFAOYSA-N 282.334 3.708 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1ccc(F)cc1Cl 150826991 BPQWHCCSOMUQBK-NSHDSACASA-N 296.773 3.643 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCCc1cccs1 161521599 BWNIBCQVKLLLDZ-LBPRGKRZSA-N 272.373 3.694 30 20 CHED CC(C)(CCC#N)CNc1ccc(N2CCCCC2)nc1 158128773 NTGXTCJERYBFGJ-UHFFFAOYSA-N 286.423 3.814 30 20 CHED N#CCCCCSc1ccc(C#N)cc1Cl 163302640 TZUSHVXFWMBVKU-UHFFFAOYSA-N 250.754 3.998 30 20 CHED CC(C)(C#N)CNCc1c(Cl)cccc1Cl 164672169 WIROGWTYVXKYAX-UHFFFAOYSA-N 257.164 3.633 30 20 CHED CC#CCSCc1coc(-c2ccc(OC)cc2)n1 166613128 WXPLRNMFIHEHSL-UHFFFAOYSA-N 273.357 3.607 30 20 CHED C[C@@H]1CCCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 151327736 BGJXPUIANJJVJR-ZBFHGGJFSA-N 285.391 3.615 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1cc(O)cc(O)c1 152704952 CJIAVMNCEHDXQU-UFVXJIOISA-N 280.323 3.940 30 20 CHED N#CCOc1ccc(C(=O)/C=C/c2cccs2)cc1 8321672 RCTAEKWYUNZXCO-BQYQJAHWSA-N 269.325 3.547 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)C1=CCCC1 154259059 LKFFPRIAXCWEGZ-GFCCVEGCSA-N 286.400 3.987 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(CC#N)cc1 156886294 ZPLWMELAUSQTNU-OAHLLOKOSA-N 285.391 3.843 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1ccc(Cl)cc1 159130848 SCCFEXYJMJVZCF-LBPRGKRZSA-N 278.783 3.504 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2cccc(O)c2)c1 209251956 IUYBLRSCDUKVST-SREVYHEPSA-N 252.313 3.905 30 20 CHED CCc1ccccc1CNc1nccc(C#N)c1Cl 234137722 HTQWWIOFIREIIM-UHFFFAOYSA-N 271.751 3.781 30 20 CHED Cc1ccc2c(c1)CCN(c1nc(Cl)c(C#N)s1)C2 804648731 KBTCEJMLMRQSPA-UHFFFAOYSA-N 289.791 3.539 30 20 CHED CCCCCCCN1CCC(OC2CCC2)CC1 842160122 GKQDEYRYJNMMDY-UHFFFAOYSA-N 253.430 3.990 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC[C@@H]2C(C)(C)C)n1 1307235076 SOOXCJRKXAESAW-CQSZACIVSA-N 271.408 3.876 30 20 CHED COc1ccc(N[C@H](C)CC(C)(C)C#N)c(F)c1 895695963 DQZZJASGVFFRFL-SNVBAGLBSA-N 250.317 3.575 30 20 CHED C=CCN(Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 130668398 WGCJCSMNGZAQHX-SFHVURJKSA-N 285.362 3.547 30 20 CHED CCc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 174429738 DZGTYGBVJDQOLC-AWEZNQCLSA-N 264.372 3.971 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCO[C@H](C)C1 657530483 PZISXYGRCPJGPQ-FPCVCCKLSA-N 251.414 3.526 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1sccc1-c1ccccc1 464299150 AGPFCSWDUYOLFW-AWEZNQCLSA-N 284.384 3.693 30 20 CHED C#CCCCCN[C@H](C)c1cc2cccc(OC)c2o1 182015030 MXVNMTYTMIKSLN-CYBMUJFWSA-N 271.360 3.896 30 20 CHED N#Cc1cc(NCCCOc2ccccc2)ccc1F 61815803 FJAMSTWCWHHJBX-UHFFFAOYSA-N 270.307 3.578 30 20 CHED C=C(Br)CN(C)[C@H](C)Cc1cccs1 308563196 GKSBMHLUBRGPEA-SNVBAGLBSA-N 274.227 3.520 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cccc(Cl)c1Cl 320155996 ADJREQRYKWTCAY-GHMZBOCLSA-N 288.218 3.971 30 20 CHED CCC[C@H](NCc1cccc(C#N)c1F)C1CCC1 324973953 OWUSAWARVXNOHA-HNNXBMFYSA-N 260.356 3.756 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1 617783148 UTTCZJFTSQALEU-ZDUSSCGKSA-N 268.360 3.596 30 20 CHED CCc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)sc1C 434024262 WEMGOSNCMOBCAR-AWEZNQCLSA-N 290.432 3.773 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)N1CCC(CCC#N)CC1 335384593 LCOCSAVFXPVLII-OAHLLOKOSA-N 276.424 3.745 30 20 CHED C[C@@H](CNc1cccc(Cl)c1C#N)C(F)(F)F 450451449 FOFOCEMKHRZZTL-ZETCQYMHSA-N 262.662 3.822 30 20 CHED CCC1(CC)CCC(NCc2cc(C#N)n(C)c2)CC1 359697285 SFXNVSLKFUXLIP-UHFFFAOYSA-N 273.424 3.735 30 20 CHED CSC[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 381303925 BGXRAPYVGNRSNE-NSHDSACASA-N 280.824 3.791 30 20 CHED Fc1cc(C=NOCc2ccccc2)cc(F)c1F 727970312 ZBFKAGDAMKUEJV-UHFFFAOYSA-N 265.234 3.655 30 20 CHED N#CCCC1CCN(Cc2ccc(F)cc2Cl)CC1 399471452 PXVBSYPJGRNVPI-UHFFFAOYSA-N 280.774 3.995 30 20 CHED Brc1ccccc1C=NOCc1ccccc1 852248225 DLQUXSVFAUUKMM-UHFFFAOYSA-N 290.160 4.000 30 20 CHED N#CCOC(=O)c1ccc(-c2ccc(Cl)cc2)s1 6000320 OJYTXUGUQRBGJZ-UHFFFAOYSA-N 277.732 3.749 30 20 CHED C#CCOc1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 108523995 QREFHJDAEYDPTE-ZDUSSCGKSA-N 298.342 3.517 30 20 CHED C=CCCCN(C)[C@H]1CCCc2nc(C)sc21 117882658 DWEJFBQDBXAJEN-ZDUSSCGKSA-N 250.411 3.727 30 20 CHED Cc1cccc([C@H](C)[S@](=O)Cc2ccc(C#N)cc2)c1 178114298 RDRDCHBGLVEXGL-VBKZILBWSA-N 283.396 3.877 30 20 CHED CC(C)c1ccc2c(c1)CCCN2C(=O)c1cc(C#N)c[nH]1 177547783 JSAGAXFZIVBAOO-UHFFFAOYSA-N 293.370 3.603 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C)c(OC)c1 106421728 WIJQRSQJIVEBST-UHFFFAOYSA-N 288.391 3.596 30 20 CHED COCCCOc1ccccc1NCc1cccc(C#N)c1 178382618 BFWCHYRYISOFRU-UHFFFAOYSA-N 296.370 3.586 30 20 CHED C=CC[C@H](C)NC(=O)c1csc(-c2ccc(F)cc2)n1 116857980 AVAYKUMWIUHTCD-JTQLQIEISA-N 290.363 3.644 30 20 CHED C#CCCCN[C@H](C)c1cccc(-c2ccncc2)c1 178062589 DIVVRYXNHMMQIF-OAHLLOKOSA-N 264.372 3.813 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(-c3ncco3)cc2)c1 179435250 JYIUXOCAVSHOPJ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCN(CC)C(=S)SCCCC(C)(C)C#N 177170907 MGTBSYBMKPRIRO-UHFFFAOYSA-N 258.456 3.676 30 20 CHED CC[C@H](C#N)OC(=O)COc1ccccc1-c1ccccc1 176015448 OBAVIUISQXWUCO-OAHLLOKOSA-N 295.338 3.578 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc3c(F)cccc3[nH]2)C1 116809620 PQUMXUXCNINWLE-DIFFPNOSSA-N 299.349 3.509 30 20 CHED C[C@@H]1C[C@@H](CC(=O)NCCCCC#N)CC(C)(C)C1 171499288 DRHQFDODIOGQBO-KGLIPLIRSA-N 264.413 3.649 30 20 CHED CC(C)CCOc1ccccc1CNc1ccc(C#N)cn1 301145620 LLRCHXPGVSVCJT-UHFFFAOYSA-N 295.386 3.990 30 20 CHED Cc1nnc(Nc2ccc(OC(C)(C)C)cc2)c(C#N)c1C 301443923 VBSPXYOHQUPJLM-UHFFFAOYSA-N 296.374 3.886 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C)cc1 172661886 OEDUDOUMZGMNMO-ZIAGYGMSSA-N 273.376 3.512 30 20 CHED CCOc1ccc(/C=N/Cc2ccc(C)c(F)c2)c(O)c1 22749227 BCVIUVZPJPXDHW-YBFXNURJSA-N 287.334 3.858 30 20 CHED CN(CC[C@@H]1CCCCN1C)c1ccc(C#N)c(Cl)c1 301472707 UPZMFUNDSAVGNO-AWEZNQCLSA-N 291.826 3.522 30 20 CHED C[C@@H](C#N)CN(C)C(=O)/C=C/c1c(Cl)cccc1Cl 67678178 SGSHTEXEXJZDPG-FGEFZZPRSA-N 297.185 3.625 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(C#N)cs1 179448369 TYGXZOVIWLTDDA-ZBEGNZNMSA-N 296.395 3.673 30 20 CHED Cc1cc(C)c2c(c1)[C@H](NCCCCC#N)CCCO2 178648071 AHERSYRZASDTTE-MRXNPFEDSA-N 272.392 3.801 30 20 CHED Cc1ccc(CCCCC(=O)N(C)C2(C#N)CCC2)cc1 63658572 APWGZIZAENMXMC-UHFFFAOYSA-N 284.403 3.613 30 20 CHED N#Cc1nc(Sc2cccs2)ccc1Cl 301512014 IWQUGFHDWJQDGK-UHFFFAOYSA-N 252.751 3.819 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 177896466 SGFYDFIVNSYPJP-MRXNPFEDSA-N 289.354 3.741 30 20 CHED CC(C)=CC(=O)Nc1ccccc1S[C@H](C)CC#N 66800667 RKKNUAWNHBVDEJ-GFCCVEGCSA-N 274.389 3.986 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 175609960 QAWZGARTVAXDSX-UHFFFAOYSA-N 268.700 3.543 30 20 CHED C=CCOCCCC(=O)N(CC1CC1)C1CCCCC1 173033500 CBFTVLZUZRCSLZ-UHFFFAOYSA-N 279.424 3.541 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2C[C@H]3CCC[C@@H]3C2)c1 302284150 KYGPONJODNHIKT-VXGBXAGGSA-N 280.293 3.813 30 20 CHED CN(Cc1ccc(C#N)s1)[C@@H]1CCc2ccccc2C1 126750205 MVNMRXFPLZSCPN-OAHLLOKOSA-N 282.412 3.609 30 20 CHED N#Cc1cc(NCCSc2ccccc2)ccc1[N+](=O)[O-] 127778874 IAKOXPGVNMEOGL-UHFFFAOYSA-N 299.355 3.671 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1c1ccc(C#N)cc1 301583082 QINCFXRCFZOQDK-KBXCAEBGSA-N 262.356 3.941 30 20 CHED Fc1ccc(Cl)cc1CO/N=C1/CCCOCC1 189346454 QFGVTJQSKYLCQX-VBKFSLOCSA-N 271.719 3.552 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCS[C@H](C(C)C)C1 181426602 NERPZDFLEVOSGN-KGLIPLIRSA-N 284.469 3.514 30 20 CHED C=CCC[C@@H](O)CN(CC)Cc1ccc(Cl)s1 121265486 GEUVGSGLKNGDCO-LLVKDONJSA-N 273.829 3.551 30 20 CHED CCN(CC)Cc1cccc(OCc2cccc(C#N)c2)c1 505288987 CLVSKMCOEQKWNT-UHFFFAOYSA-N 294.398 3.979 30 20 CHED C=C(C)CN(C)Cc1ccc(OC(F)(F)F)cc1 481210098 LPRQECNUHRAMQU-UHFFFAOYSA-N 259.271 3.593 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1C[C@]1(C)C(C)C 186856643 KIYPTVNVAHWBBZ-UKRRQHHQSA-N 264.413 3.647 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)c(F)cc1F 188281558 WDTCQHHQAAKJJB-ZDUSSCGKSA-N 257.255 3.645 30 20 CHED N#CCCSc1nc(C(F)F)nc2ccccc12 413468440 IMYPSKVTWQHTCX-UHFFFAOYSA-N 265.288 3.573 30 20 CHED N#Cc1ccc(CSc2nnc(C3CC3)s2)c(F)c1 74793668 CAAJOXXJVNYYED-UHFFFAOYSA-N 291.376 3.719 30 20 CHED COc1ccc([C@@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1 317079155 WDOWBRVQIVFPQG-LLVKDONJSA-N 297.314 3.648 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1nc(C2CC2)cs1 180959818 IKDIDMXIWXAZGQ-NSHDSACASA-N 293.436 3.565 30 20 CHED CC1CCC(Nc2ccccc2O[C@H](C)C#N)CC1 180203745 HHTBYUOVUKMXLV-ROKHWSDSSA-N 258.365 3.968 30 20 CHED N#CCC[C@H](NC(=O)N1CCCC2(CC2)C1)c1ccccc1 185883826 QJLYTGBOWAFVSW-INIZCTEOSA-N 297.402 3.617 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)cc(Cl)c1 410128968 WIWQAYNOGPJJBB-ZDUSSCGKSA-N 251.757 3.733 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccccc1F 79840198 GMWYTHBJYYIJDA-UHFFFAOYSA-N 287.309 3.793 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(F)cc1C#N 489580023 UESQISHCFAKIOV-WBMJQRKESA-N 260.356 3.708 30 20 CHED CN(CCC1CCCCC1)C(=O)CCc1ccc(C#N)cc1 506205030 GMYRIYNNEWBBQF-UHFFFAOYSA-N 298.430 3.920 30 20 CHED C#CCCCCNCc1ccc(C)c(Br)c1 127741622 NAAXPGRESRLUEJ-UHFFFAOYSA-N 280.209 3.651 30 20 CHED C=CCSCCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 508561454 RABSZSNOTSQEAE-SOUVJXGZSA-N 281.465 3.628 30 20 CHED N#CCCCOc1cccc(NCc2ccc(F)nc2)c1 189002896 XFNUFFRRIKOJCY-UHFFFAOYSA-N 285.322 3.515 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 411200096 LZTZDMOKVVDCAG-HNNXBMFYSA-N 287.403 3.756 30 20 CHED C=CCCC[C@H](C)NC(=O)CSc1ccc(OC)cc1 182617373 GUCPXCWHBCOBBA-ZDUSSCGKSA-N 293.432 3.648 30 20 CHED C[C@H](NC[C@@H](C)N(C)c1ccccc1)c1ccc(C#N)cc1 181503441 LVUMAUJVBPKFGW-CVEARBPZSA-N 293.414 3.734 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccc(F)c(Cl)c1 78452681 QCGMVJOXMVRGHH-UHFFFAOYSA-N 295.745 3.637 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N[C@@](C)(C#N)CCSC 415676365 MMAORZNMZOOXFD-GOEBONIOSA-N 296.480 3.744 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 444769462 INJVKGIOEUQKBZ-ZDUSSCGKSA-N 260.356 3.565 30 20 CHED C[C@]1(C(=O)N(CC#N)c2ccccc2)C[C@@H]1c1ccccc1 415063308 HTUJMEFIKOTJIH-MJGOQNOKSA-N 290.366 3.737 30 20 CHED C=C(C)CCc1noc(COC/C=C\c2ccccc2)n1 508683362 ZWBASCXRVGYNFH-TWGQIWQCSA-N 284.359 3.808 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)c2ncccc12 185148410 DPZYIFFVCXNMJG-UHFFFAOYSA-N 266.344 3.675 30 20 CHED Cc1cccc2[nH]cc(CC(=O)OCC(C)(C)CC#N)c12 184802203 KNYRVCKAJJSOSH-UHFFFAOYSA-N 284.359 3.502 30 20 CHED Cc1nnc(S[C@H](C)c2cccc(C#N)c2)s1 189796300 ANSBTXTUSJZRHE-MRVPVSSYSA-N 261.375 3.572 30 20 CHED C[C@@H](CCC#N)N(C)CCCc1cc(-c2ccccc2)n[nH]1 411227157 MJCHXLBOKKGPME-HNNXBMFYSA-N 296.418 3.633 30 20 CHED C=CCCCCCN(C)C[C@H]1COc2ccccc2O1 606934572 VNWIAIIZPMWVIU-HNNXBMFYSA-N 275.392 3.505 30 20 CHED CCC[C@@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1 183365753 SEXPUKILNLRBLM-MRXNPFEDSA-N 285.391 3.939 30 20 CHED Cc1ccc(/C=N/OCc2ncc(C(C)(C)C)o2)cc1 130293852 NVRHUTBKBQJNKK-GIJQJNRQSA-N 272.348 3.831 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(-c2ccsc2)nc1C 183839857 RKRSWHWLZRJXEV-CYBMUJFWSA-N 299.399 3.541 30 20 CHED C=CCC1(CNC(=O)N[C@@H]2C[C@H]2c2ccco2)CCCC1 413616692 SOAHSHCEPKZCPF-ZIAGYGMSSA-N 288.391 3.571 30 20 CHED C=CCC1(C(=O)Nc2ccccc2CCOC)CCCC1 410735493 YFJKHAOVFXVCOW-UHFFFAOYSA-N 287.403 3.951 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 182678202 ISTQVFBGQUZYIR-AWEZNQCLSA-N 274.408 3.570 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2cccc(O)c2)c1 49371948 IUYBLRSCDUKVST-VOTSOKGWSA-N 252.313 3.905 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(CC#N)cc1 412810776 IKCPGKMVECZHGC-JKSUJKDBSA-N 284.403 3.697 30 20 CHED CC(=O)c1ccc(C#N)c(NCCC2CC(F)(F)C2)c1 413338354 OTIOZKFQWLVOND-UHFFFAOYSA-N 278.302 3.608 30 20 CHED C=C(C)CCc1noc(-c2cc3ccccc3o2)n1 508609742 SCXCBKJSAXHTRR-UHFFFAOYSA-N 254.289 3.992 30 20 CHED C[C@@H](COc1cccc(F)c1)Nc1cccc(F)c1C#N 507019772 AQFVJEBDMSCTJY-NSHDSACASA-N 288.297 3.716 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1cccc(OCC#N)c1 48516905 KPZTXKXNKUAWBR-ZDUSSCGKSA-N 289.379 3.535 30 20 CHED CC[C@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 425935801 JYBPLAGWOWJEFO-DSLXNQLJSA-N 298.430 3.540 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 424712589 SHPXJBQWFKJNIU-KGLIPLIRSA-N 259.393 3.897 30 20 CHED C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)c(F)c1 424317346 BYVAVZHLVPAZFA-JMPLFQLZSA-N 258.340 3.537 30 20 CHED N#C[C@@H](C(=O)c1cccc(-c2ccoc2)c1)c1ccccn1 89966743 LSHIERRUNFCTLL-MRXNPFEDSA-N 288.306 3.832 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1ccc(OCC#N)cc1 134090952 MKHCRCZFVMYFEI-ZDUSSCGKSA-N 284.334 3.771 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 426007253 JARSCLWSWBVELI-ZJIFWQFVSA-N 276.424 3.705 30 20 CHED CC[C@H]1CCCN1/C(O)=N/Cc1cc(-c2ccccc2)no1 328888786 QIPQWVVOOFCWLD-AWEZNQCLSA-N 299.374 3.630 30 20 CHED CCOCc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 193892470 RXIUNFGUZQGXPS-HNNXBMFYSA-N 294.398 3.946 30 20 CHED CC1(C(O)=Nc2csc(-c3ccccn3)n2)CCC1 329631083 IDSVIHQKAVVNGY-UHFFFAOYSA-N 273.361 3.983 30 20 CHED C[C@@H](OC(=O)c1ccccc1OCC#N)c1ccccc1F 194394152 MKVHDSLJKLJLBC-GFCCVEGCSA-N 299.301 3.646 30 20 CHED C/C=C/c1ccc(OC(=O)c2cc(C#N)cs2)c(OC)c1 83937999 YSYOYYQDHKVDEU-ONEGZZNKSA-N 299.351 3.881 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1csc(C(C)C)n1 330459838 ZZMMQWDBQRUKFR-AWEZNQCLSA-N 279.409 3.899 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccsc1 425412386 ZLMVRQQYXOXFAD-GFCCVEGCSA-N 299.399 3.522 30 20 CHED Cc1c(C/N=C(/O)C2=CCCCC2)cccc1[N+](=O)[O-] 330914260 SMNYBPQVSVYKTR-UHFFFAOYSA-N 274.320 3.860 30 20 CHED C=CCC1(C(=O)N2CCSC3(CCC3)CC2)CCC1 334794495 MSPADOBBKMPOBN-UHFFFAOYSA-N 279.449 3.621 30 20 CHED C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 193902171 RVEJBTQZRLCTRW-STQMWFEESA-N 295.342 3.878 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(c2cccc(C#N)n2)C1 425287691 WHCYAQDREKWAJN-MRXNPFEDSA-N 277.371 3.931 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@]1(C)C[C@H]1F 425488797 LGSYMRYSNYCTLJ-WDBKCZKBSA-N 292.379 3.625 30 20 CHED COc1cc(Cl)ccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 424322211 IDHACGZOYBYGFW-GMXVVIOVSA-N 278.783 3.691 30 20 CHED CCCCC1CCC(/N=C(/O)c2csc(O)n2)CC1 330988132 QOZUQKZZQKMGKJ-UHFFFAOYSA-N 282.409 3.902 30 20 CHED C=CCC1(C(=O)N(C)C2CC(OC(C)(C)C)C2)CCC1 421692858 JQAVEUMFLURZRX-UHFFFAOYSA-N 279.424 3.537 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)NCCCCC#N 519065753 XGMXLELQMQZGBK-UHFFFAOYSA-N 289.379 3.598 30 20 CHED CN(C(=O)c1ccc(C(F)F)cc1)c1ccccc1C#N 336344200 IRSJASPJTLPBPY-UHFFFAOYSA-N 286.281 3.772 30 20 CHED C=CCC[C@H](CC)NCCCc1nc2ccccc2n1C 90050556 SIXKLQAECYMJJK-HNNXBMFYSA-N 285.435 3.840 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)C[C@H](C)CC 436300349 JPIFUIKVUPPYRM-FPCVCCKLSA-N 253.430 3.772 30 20 CHED CC#CCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 511612820 WDMWVBZJGOOGCH-AWEZNQCLSA-N 283.293 3.649 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)CCCC#N 332735794 VBAGOGFUVSONMP-QAPCUYQASA-N 284.403 3.756 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCc2ccccc2OC1 510936882 WIRRNMPPVDQQTO-HZPDHXFCSA-N 259.393 3.715 30 20 CHED C[C@H](C#N)CN(C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 437596527 YXQUSVHONXGTNS-DJIMGWMZSA-N 256.393 3.588 30 20 CHED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1cccs1 235217131 XSWBWBJKRABLFV-ZCFIWIBFSA-N 269.782 3.903 30 20 CHED Cc1cc(C)c([C@H](C)NCC2(CC#N)CC2)cc1C 430758039 YMCXGZOHDATFEL-HNNXBMFYSA-N 256.393 3.956 30 20 CHED CC(=O)c1cccc(NCc2cccc(C#N)c2F)c1 341831672 XRJMEUVOIYZZGN-UHFFFAOYSA-N 268.291 3.512 30 20 CHED N#CCOc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 249336920 ZJQIRKNMFSONHB-RXABAKJHSA-N 296.414 3.503 30 20 CHED CN(CC(C)(C)C#N)c1ccnc2c(Cl)cccc12 432142964 HTDKPOBAWXCTEC-UHFFFAOYSA-N 273.767 3.874 30 20 CHED CCCN(CC#N)C[C@@H](C)c1cccc(Cl)c1 525866830 SVLBBCFZWJCWBI-GFCCVEGCSA-N 250.773 3.679 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cnccc1C 347854542 AFRAYWJHPQUABY-UHFFFAOYSA-N 280.371 3.609 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H]1CCSc2ccccc21 341654762 RFALCRLDBOXAMR-OCCSQVGLSA-N 275.417 3.737 30 20 CHED Cc1nsc(N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1C#N 343047821 YQNXQNGQUXGXCW-DGCLKSJQSA-N 289.791 3.945 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc3c(c2)CCCC3)C1 522643519 CFWPSWLSNCUQAI-IFXJQAMLSA-N 296.414 3.768 30 20 CHED CCc1ccccc1NC(=O)[C@@H](C#N)CCc1ccccc1 433226790 OXROCRKLVFOUCU-QGZVFWFLSA-N 292.382 3.960 30 20 CHED COc1cc2nc(C)sc2cc1NCc1ccc(C#N)o1 347798747 RLMAVWHMQWVNEA-UHFFFAOYSA-N 299.355 3.690 30 20 CHED CCc1ccc(CCC(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 434022352 OWGCWGQQZJZYAB-QGZVFWFLSA-N 298.430 3.722 30 20 CHED N#CCc1ccccc1NC(=O)c1cccc2ncccc12 344364805 STRDPVBHJVQURV-UHFFFAOYSA-N 287.322 3.553 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC1CCCCC1 341757818 LWWLUPYXXYRYFN-KRWDZBQOSA-N 254.377 3.858 30 20 CHED N#CCOc1ccccc1C(=O)O[C@@H]1CC[C@@H]2CCC[C@H]2C1 248674106 CFVWEUZPPVWUFM-SOUVJXGZSA-N 299.370 3.715 30 20 CHED Cn1ccc2c(NC(=O)Nc3cccc(C#N)c3)cccc21 608887934 ZFFPBKOCOFJVCB-UHFFFAOYSA-N 290.326 3.694 30 20 CHED Cc1cc([C@H](NCCCCC#N)c2cccnc2)ccc1F 346556819 JZSLFJLNKJVMBF-SFHVURJKSA-N 297.377 3.902 30 20 CHED CN(Cc1ccc(C#N)cc1OC(F)F)CC(C)(C)C 437147823 VGIMENJXVDWHPE-UHFFFAOYSA-N 282.334 3.638 30 20 CHED N#Cc1cnccc1/C=C/c1ccccc1Br 347454479 WFXJSTLTYLKWNH-AATRIKPKSA-N 285.144 3.886 30 20 CHED C[C@@H](CCC#N)CN1CCO[C@H](c2cccc(Cl)c2)C1 602610079 FNDKXGYKQSCHNF-BBRMVZONSA-N 292.810 3.653 30 20 CHED N#Cc1ccccc1OCc1csc(-c2ccoc2)n1 341719579 CMWUBRKLNQHIES-UHFFFAOYSA-N 282.324 3.854 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2ccc(CC)o2)c1C 255196009 ULQLBSKMHUGWRV-HJWRWDBZSA-N 286.375 3.961 30 20 CHED Cc1ccc2ccccc2c1Cn1ccn2ncc(C#N)c12 348033036 QDOCTMZIPWNPQN-UHFFFAOYSA-N 286.338 3.517 30 20 CHED CCCc1noc(CSCc2ccc(CC#N)cc2)n1 342551227 BTUUCLPHNJEIDM-UHFFFAOYSA-N 287.388 3.522 30 20 CHED CCC(CC)[C@@H](CCNCc1ccc(C#N)cc1F)OC 344854542 NDBVRXCZSFZBKR-QGZVFWFLSA-N 292.398 3.628 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1 606818391 KHCONTMMCAPCKK-FOLVSLTJSA-N 287.403 3.806 30 20 CHED C=C(CC)CNCc1ccc(OCC(F)(F)F)cc1 449736333 WEBBKXVRUKXYEL-UHFFFAOYSA-N 273.298 3.684 30 20 CHED Cc1cc(C)c(C(=O)N[C@@H](C)c2cccc(C#N)c2)s1 601264131 VBTVCFFOWYPXPH-LBPRGKRZSA-N 284.384 3.728 30 20 CHED C=CC[C@@H](CC)Nc1ncnc2c(F)c(OC)ccc12 440639018 NANIGIKEGNDWGT-SNVBAGLBSA-N 275.327 3.544 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)c1ccco1 255279469 PLWPNDGXVBGWND-KHPPLWFESA-N 292.338 3.978 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H](C)Cc1ccccc1C 446377449 RSTIQOUWRUDRAG-MRXNPFEDSA-N 296.414 3.686 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1CCCC 604897892 MFOJFJNVLVHQJN-IHRRRGAJSA-N 252.402 3.609 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(-c2ccc[nH]2)cc1)OCC 537119537 SBAKTCUFDSNOBK-KRWDZBQOSA-N 298.386 3.992 30 20 CHED C[C@@H]1CCC[C@H](c2noc(-c3cc(C#N)cs3)n2)C1 356229254 XZAQMMQOFWJLGD-KOLCDFICSA-N 273.361 3.963 30 20 CHED Cc1ccc(C[C@H](C)NC[C@H](C)CCC#N)s1 602556330 KSVBJVRCJNGJIQ-NEPJUHHUSA-N 250.411 3.517 30 20 CHED C[C@@H](NCc1cc(F)cc(F)c1)c1ccc(C#N)c(F)c1 538508082 VJKKUZFMGWAJJD-SNVBAGLBSA-N 290.288 3.826 30 20 CHED N#CCCCC[S@](=O)Cc1ccc(C2CCC2)cc1 447117021 RERGJVBHDUDSAU-IBGZPJMESA-N 275.417 3.897 30 20 CHED C[C@H](CCC#N)CNc1ccc([C@H]2CCOC2)cc1 602677121 TYTACTKGOIDCOG-HIFRSBDPSA-N 258.365 3.542 30 20 CHED CC(C)(CCC#N)CNC(=O)c1c(F)cccc1Cl 359758672 RDRIBWSGMJUAIA-UHFFFAOYSA-N 282.746 3.539 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 614816143 SVYTWIMAZKIUFR-WMLDXEAASA-N 299.418 3.697 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc2c(cn1)CCCC2 358141628 ZQHDJOADWFLIDM-UHFFFAOYSA-N 258.365 3.501 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H](C)CCC)cc1 359406499 XDTUBUOORIFOPR-CYBMUJFWSA-N 261.365 3.512 30 20 CHED C=CCOCCCc1nc([C@H](C)c2ccccc2C)no1 357714673 WCGBXMLXNNBUHQ-CQSZACIVSA-N 286.375 3.665 30 20 CHED COCc1cccc(CSc2ccc(C#N)cc2)c1 533331077 SAWXJDNMPCDPJJ-UHFFFAOYSA-N 269.369 3.997 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cccc(OC)c1Cl 613271834 JPBCCGRXBKBLII-GFCCVEGCSA-N 295.810 3.752 30 20 CHED N#Cc1ccc(CNc2c[nH]nc2-c2ccccc2)c(F)c1 355365790 KURYWWJHWHEPRQ-UHFFFAOYSA-N 292.317 3.700 30 20 CHED CS[C@H](C)CCC(=O)Nc1sc(C)c(C)c1C#N 358924788 RACDLCBVLKGHIE-MRVPVSSYSA-N 282.434 3.707 30 20 CHED C=CCCC1(C(=O)NCc2ccccc2OC2CCC2)CC1 356176148 WMHGYPGGZYPTSS-UHFFFAOYSA-N 299.414 3.981 30 20 CHED C=CCCCN[C@@H](c1ccc2c(c1)OCCO2)C(C)C 539244832 ZYFCNPHRQWEEEP-QGZVFWFLSA-N 275.392 3.711 30 20 CHED COc1cccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H](C#N)C3)C2)c1 449617322 HBFGJDCZZVNMGL-MWQQHZPXSA-N 284.403 3.613 30 20 CHED Cc1csc([C@H](Nc2nccc(C)c2C#N)C2CC2)n1 612085794 QBDBBDMNXUWMFV-CYBMUJFWSA-N 284.388 3.590 30 20 CHED C[C@H](NC1CC(OC(C)(C)C)C1)c1cccc(C#N)c1 611519681 CBKAXVXXQBZWKV-JQRITLKVSA-N 272.392 3.555 30 20 CHED COc1cccc([C@@H]2C[C@H](C)CN2CCCCC#N)c1 360465655 GSWFELVBLKXNBG-YOEHRIQHSA-N 272.392 3.772 30 20 CHED C=CCCCC(=O)N(CC)c1ccc(OCC)cc1 360008583 XRRJNFQZRCODPP-UHFFFAOYSA-N 261.365 3.795 30 20 CHED CC(C)(CC#N)CNCc1cc(F)cc(C(F)(F)F)c1 459683431 AZOJYOIGIZDDRV-UHFFFAOYSA-N 288.288 3.874 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1NC(C)(C)C 451314118 NSWLYONYDRAYFQ-UHFFFAOYSA-N 296.374 3.658 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C)nc2C(C)C)C1 617777212 KKSAORUPUXVRAA-OAHLLOKOSA-N 286.419 3.942 30 20 CHED CC[C@H]1Cc2ccccc2CN1CC1(C#N)CCC1 450756086 KAKBYVMOWGFAQF-INIZCTEOSA-N 254.377 3.517 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1c(F)cccc1F 274339748 ODYHDXOWAVSIIS-HWPZZCPQSA-N 294.345 3.513 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)[C@@]1(C#N)CC12CCCC2 456348863 SDYBSGRKEZPLSZ-MPGHIAIKSA-N 288.435 3.599 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cnn([C@H](C)CC)c1C 455271376 UPNPLATURPXHHJ-GFCCVEGCSA-N 292.427 3.886 30 20 CHED CC[C@H](C)CN(C)C(=O)Nc1ccc(CC#N)cc1Cl 455700747 IXNSXGATJPPYDR-NSHDSACASA-N 293.798 3.916 30 20 CHED C=CCn1cccc1C(=O)N1CC2(CCCC2)[C@@H]1C(C)C 457150999 VGMMOANGZDFHRF-INIZCTEOSA-N 286.419 3.715 30 20 CHED CC(C)Cn1cc(N[C@@H](C)c2ccc(C#N)cc2)cn1 272097017 YOTYYEKWAUXJSD-ZDUSSCGKSA-N 268.364 3.584 30 20 CHED CC[C@@H](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 360945496 FGPXRCCGCBQDID-SNVBAGLBSA-N 276.405 3.873 30 20 CHED C=CCC1(c2nc(CCc3ccco3)no2)CCCC1 453130269 GGORYGHRZVVMRX-UHFFFAOYSA-N 272.348 3.836 30 20 CHED Cc1nsc(Sc2ccc(F)cc2)c1C#N 360842024 LOICRUMSSQUIBB-UHFFFAOYSA-N 250.323 3.614 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1cccc(C)c1 540527131 VQDCBYDXRAHOMI-GJZGRUSLSA-N 259.393 3.960 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cccc(CSC(C)C)c1C 276940788 WRRRHBFNIZDBQU-GFCCVEGCSA-N 290.432 3.780 30 20 CHED C=CCC1(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)CCCCC1 458023773 LLIJNSQORXCWCN-ARFHVFGLSA-N 291.435 3.587 30 20 CHED C=C(C)[C@H](CC(=O)N1CC[C@H](CC(C)(C)C)C1)OCC 457021278 NQOPCOKAGJIJQD-CABCVRRESA-N 281.440 3.642 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(C#N)c(F)c2)cc1 361693175 QRSXLFCZTSQPGX-UHFFFAOYSA-N 298.361 3.728 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2ccccc2O[C@H](C)C#N)CS1 277211247 KHRXFMKKVAPGNX-IOASZLSFSA-N 290.432 3.919 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)cc1NCC 276596791 FKZGKKSDXWSQGX-UHFFFAOYSA-N 258.365 3.559 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(F)c(F)c(F)c1 280898384 QXNDESZYCRCUIB-GDLVEWKHSA-N 299.336 3.736 30 20 CHED C=C(C)CCc1noc(C[C@@H](C)c2ccccc2OC)n1 285260196 XSDPYQYUZCDGKQ-CYBMUJFWSA-N 286.375 3.933 30 20 CHED N#Cc1ccc(SCCC(F)(F)F)c([N+](=O)[O-])c1 280332381 UXBLAHOBVQONCJ-UHFFFAOYSA-N 276.239 3.511 30 20 CHED CC(C)(C)CCCC(=O)N[C@](C)(C#N)C(C)(C)C 464160092 VOPBWHATJHTZAR-OAHLLOKOSA-N 252.402 3.647 30 20 CHED Cc1ccccc1[C@H]1CCN(c2ccc(F)cc2C#N)C1 462819006 RZZPUAYHNTZRDU-AWEZNQCLSA-N 280.346 4.000 30 20 CHED Cc1csc(NC(=O)C[C@H]2CC[C@H](C)C2)c1C#N 288896676 SNUPOPDIWUXNPI-ONGXEEELSA-N 262.378 3.693 30 20 CHED CC[C@H](NC[C@H](C)N1CCCC[C@@H]1C)c1ccc(C#N)cc1 559983542 JOPODCJORVDSAT-BXWFABGCSA-N 299.462 3.862 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1c(C)cc(N(C)C)cc1C 281269248 BAACXGSBYIQHND-CQSZACIVSA-N 289.423 3.846 30 20 CHED Cc1ccnc([C@H](C)Nc2ccccc2O[C@H](C)C#N)c1 286272902 VPRIREUHVHLJCO-KGLIPLIRSA-N 281.359 3.854 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 466648981 QPKRUSVUCZXVLW-LLVKDONJSA-N 283.824 3.855 30 20 CHED CCCCCCCCCC(=O)N(C)c1ncccn1 289129984 XSTIUOWCTZLNDU-UHFFFAOYSA-N 263.385 3.580 30 20 CHED C=CCCCC(=O)N1CCc2ccccc2C1(C)C 552685353 OBTUGBMYSJLRPZ-UHFFFAOYSA-N 257.377 3.663 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc(Cl)c(F)cc1Cl 555657500 KUKDPUJEUVHLIT-GFCCVEGCSA-N 289.137 3.555 30 20 CHED CCCN(Cc1ccc(F)cc1)C(=O)[C@@](C)(C#N)CC 285353124 HJVFICYCXSUSIW-MRXNPFEDSA-N 276.355 3.504 30 20 CHED CC(C)(NCCCC1(C#N)CCOCC1)c1ccccc1 282027611 PROMICCGODJDBI-UHFFFAOYSA-N 286.419 3.612 30 20 CHED C=CCC1(C(=O)NCC(C)(C)C(C)(C)C)CCC1 558266664 YRXYYIWXUPGYTI-UHFFFAOYSA-N 251.414 3.921 30 20 CHED CC(C)COc1ccc(CN(C)CC(C)(C)C#N)cc1 552316774 LPGPOBGEZSRTJB-UHFFFAOYSA-N 274.408 3.703 30 20 CHED CC#CCCNC/C(C)=C/c1ccccc1OC(F)F 555103246 AQLRCTBCLFMPMT-ACCUITESSA-N 279.330 3.694 30 20 CHED C[C@@H]1CCC[C@H]1CNC1CCN(c2ccc(C#N)cc2)CC1 552260637 LLCRSLKWAUWGRB-WBVHZDCISA-N 297.446 3.553 30 20 CHED Cc1cc(F)c(Br)cc1NC(=O)CCCC#N 291869952 ICZBEFIKNUBLAH-UHFFFAOYSA-N 299.143 3.529 30 20 CHED C#C[C@@H](CC)NCc1cc(Cl)cc(Cl)c1OC 809686539 XUORONXEEGBVAZ-NSHDSACASA-N 272.175 3.503 30 20 CHED CCOC(=O)[C@@H](CC)Sc1ccc(C#N)cc1Cl 551448974 PREQFFUDMQFSER-LLVKDONJSA-N 283.780 3.645 30 20 CHED C[C@@H](CCNC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 294555130 MXKDZOSXEZEOSI-KXBFYZLASA-N 296.414 3.770 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1c(Cl)cccc1Cl 472779059 PNYXCZZIRFTBIT-LLVKDONJSA-N 288.218 3.752 30 20 CHED CCCc1nnc(S)n1N=Cc1ccc(C(C)C)cc1 808007351 AGBLYIWMUTUESX-UHFFFAOYSA-N 288.420 3.525 30 20 CHED Cc1cc(F)ccc1COC(=O)CCCCCC#N 805697032 OTCPLOBDPGZWLC-UHFFFAOYSA-N 263.312 3.651 30 20 CHED N#Cc1ccc(NC(=O)NC[C@H]2CCCCC2(F)F)cc1 296426477 WHMMCRDLXJZIRP-GFCCVEGCSA-N 293.317 3.505 30 20 CHED C=CCCCCCCNC(=O)N(CC=C)C(C)C 807570429 SLSPLAKGZSKNBF-UHFFFAOYSA-N 252.402 3.729 30 20 CHED CC(C)Oc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1C#N 560194415 RTCWOFFWJATCPA-XEZPLFJOSA-N 298.386 3.720 30 20 CHED CC#CC(=O)Nc1cccc(COCCCCCC)c1 801140493 NQGHXJSZGCPZLP-UHFFFAOYSA-N 273.376 3.745 30 20 CHED C#CCN(C)C(=O)Nc1cccc(Sc2ccccc2)c1 801627333 KXMQXLJAPJCOEP-UHFFFAOYSA-N 296.395 3.935 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(O)c2)c(C)c1OC 806570008 NJCDPIHIUMYUKA-VQHVLOKHSA-N 298.338 3.614 30 20 CHED C=CCCCCNC(=O)C(C)(C)c1ccccc1C 471699963 FQJFKZBGYOIVJF-UHFFFAOYSA-N 259.393 3.745 30 20 CHED C#CC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 801528437 IFUHQLAOLMDSBC-INIZCTEOSA-N 298.317 3.588 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H](F)c2ccccc2)cc1 809258755 GOBPFONLWOJXAQ-IRXDYDNUSA-N 296.345 3.641 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 471709138 LOWNEAUENIPQHL-PKOBYXMFSA-N 283.415 3.753 30 20 CHED CCN(C(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 292157441 FAAJNYRZTQWRFS-UHFFFAOYSA-N 284.281 3.752 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2c(C)cc(O)nc2c1 293900353 ZRCGVORWFIUSQX-UHFFFAOYSA-N 298.386 3.581 30 20 CHED COC1(C=NNc2ccc([N+](=O)[O-])cc2C)CCCCC1 807990481 DHQOPESIIWTTJF-UHFFFAOYSA-N 291.351 3.650 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)C2(C#N)CCC2)CC(C)(C)C1 470165644 NQIRXMMTCAZABE-KGLIPLIRSA-N 276.424 3.649 30 20 CHED CC(C)N(CCC#N)Cc1cccc(Br)c1F 569673189 ZULXWKKLOJILJA-UHFFFAOYSA-N 299.187 3.712 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)cc1SC 648620649 QQTCKWMVPHJPPO-HNNXBMFYSA-N 297.395 3.715 30 20 CHED C=CCCCCCCCNC(=O)C1(OC)CCCC1 811590339 XWEICOULXHYXLO-UHFFFAOYSA-N 267.413 3.588 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1CCC(C)C 815830680 JYGRRSAPLDPMRZ-LBPRGKRZSA-N 259.340 3.625 30 20 CHED CC(CSc1ccccc1[N+](=O)[O-])=NOC1CCC1 812237930 HQTMMJVCCZCCMJ-UHFFFAOYSA-N 280.349 3.632 30 20 CHED C[C@H]1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)C1 814688987 QYWJLDYSGFOMDW-QMMMGPOBSA-N 266.728 3.626 30 20 CHED CCCCc1ccc(OC(=O)c2cccc(C#N)n2)cc1 810641605 FOTBPSYSNHLTCT-UHFFFAOYSA-N 280.327 3.515 30 20 CHED C[C@@H](C#N)CNN=C1CCCC[C@H]1C1=CCCCC1 814881867 ZLIFTMPMJOBEDG-ZFWWWQNUSA-N 259.397 3.782 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(SC)ccc1C 488813661 HKJIGDQRWDKHAB-UHFFFAOYSA-N 286.400 3.957 30 20 CHED C=CCC1(NC(=O)[C@@H]2Cc3ccc(F)cc32)CCCCC1 654020850 ZWYOQHOBJZTREI-MRXNPFEDSA-N 287.378 3.861 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(-n2ccnc2C)cc1 811669575 GMUZXUBDFDLRIT-OVGWVUCOSA-N 289.766 3.674 30 20 CHED C[C@](C#N)(NC(=O)c1csc(Cl)c1)C1CCCCC1 573859466 DUDCMPHKDZEVGK-CQSZACIVSA-N 296.823 3.994 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc3cnccc3c1)C2 811696397 SYDOGBKDJSHHTL-LSCVHKIXSA-N 296.329 3.929 30 20 CHED CC(C)OCCON=Cc1ccc(SC(F)F)cc1 812239166 NXDQWRHGBVLROH-UHFFFAOYSA-N 289.347 3.777 30 20 CHED COc1ccccc1SCc1cccc(F)c1C#N 488273545 QHKJZEARUNCHON-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CC(=NOCC1CC1)c1ccc(F)cc1OC(F)F 814244767 IXFXCKJCRUOZAT-UHFFFAOYSA-N 273.254 3.578 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@H](OCC2CC2)C1 489873789 JLMKMKVVLDJAAB-HNNXBMFYSA-N 290.794 3.607 30 20 CHED CC(C)OCCON=Cc1ccc2ccccc2c1 812239177 ONAWXZDWHRZBHX-UHFFFAOYSA-N 257.333 3.615 30 20 CHED Clc1cccnc1NN=C1COc2c(Cl)cccc21 814810392 KNQMUAHHFJICNT-UHFFFAOYSA-N 294.141 3.597 30 20 CHED COc1cccc(O)c1/C=N/CCc1c[nH]c2ccccc12 812390896 NOWWTGVSPBPJBL-XDHOZWIPSA-N 294.354 3.544 30 20 CHED Cc1ccc([C@@H]2CCN(c3ccc(C#N)c(C)n3)C2)c(C)c1 487719976 HYJPFTWANLPYSA-QGZVFWFLSA-N 291.398 3.872 30 20 CHED CC(C)Oc1ccc(C=NOC/C=C\Cl)cc1 811668079 AQWYBECMBQSERN-YKZYKEATSA-N 253.729 3.577 30 20 CHED C=CCC(C)(C)C(=O)NCC1(OCCC)CCCCC1 579986926 KPPFNDBPFRINKS-UHFFFAOYSA-N 281.440 3.834 30 20 CHED C=C(C)CN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 482159170 NVNOBKKIOMSVFO-CYBMUJFWSA-N 296.414 3.941 30 20 CHED C=CCn1c(CC2CC2)nnc1N(C)[C@H](C)c1ccccc1 576386867 IUZMEYHLUNGFDK-CQSZACIVSA-N 296.418 3.614 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCc3ccccc3F)c2c1 487932066 JIXVAUVXRXZDHD-UHFFFAOYSA-N 291.329 3.588 30 20 CHED Cc1cccc(NN=CC2=Cc3ccccc3OC2)c1 812375183 UURUVVYJYMNRKL-UHFFFAOYSA-N 264.328 3.869 30 20 CHED C=CCN1CCC(N[C@H]2CCc3cc(C)cc(C)c32)CC1 655711196 GGQJUZJDNPQSND-SFHVURJKSA-N 284.447 3.531 30 20 CHED COC[C@@H](C)NN=C(C)Cc1c(Cl)cccc1Cl 814895459 MFMVSSXCHKQCBY-SNVBAGLBSA-N 289.206 3.536 30 20 CHED C=CCCCCNc1ccc(Cl)c(S(C)(=O)=O)c1 570899601 CAPVORJBTNTXIE-UHFFFAOYSA-N 287.812 3.512 30 20 CHED CCOc1ccc(C(C)=NOC/C=C/Cl)cc1 811668381 FJKXHHSVILUDDM-VGNFQKFRSA-N 253.729 3.578 30 20 CHED CC(=NNCCCc1ccccc1)c1ccccc1C#N 814838010 VICVLUDSLHBDBT-UHFFFAOYSA-N 277.371 3.505 30 20 CHED C=CCCCCCCCNC(=O)N(C)C[C@@H]1CCCCO1 811927332 POVIUKMWTLOTMV-INIZCTEOSA-N 296.455 3.724 30 20 CHED COc1ccccc1C(C)=NNc1cccc([N+](=O)[O-])c1C 727973212 UZEPNGSUTSFUNE-UHFFFAOYSA-N 299.330 3.748 30 20 CHED CC(C)CN(CCC#N)Cc1cc2ccncc2s1 824502932 MSXNAHYSEMVUSZ-UHFFFAOYSA-N 273.405 3.668 30 20 CHED CCC(C)(C)C1CCC(NC(=O)NCC2(C#N)CC2)CC1 570994031 GLCYILBKGSOUOH-UHFFFAOYSA-N 291.439 3.584 30 20 CHED CCc1cc(C#N)c(NC(=O)C2CC3(CCC3)C2)s1 577179241 SQVFINCSYDPUPU-UHFFFAOYSA-N 274.389 3.701 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 823266609 ALCIDVQPLSWDNC-VIFPVBQESA-N 291.782 3.606 30 20 CHED C=C(CC)CS[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 823883237 LWBMNIOFBURJBY-NSHDSACASA-N 274.393 3.627 30 20 CHED C=CCCOCC(=O)N[C@@H](C)c1csc2ccccc12 729961704 QYUXHUVJNANRFE-LBPRGKRZSA-N 289.400 3.671 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)/C=C/C1CCCC1 493045403 ILEMDCZKJBUWNX-VNDWYCCKSA-N 282.387 3.824 30 20 CHED Cc1cc(CNCC[C@@]2(C)CC2(Cl)Cl)ccc1C#N 824971130 PFXSABPXSIZYDH-AWEZNQCLSA-N 297.229 3.930 30 20 CHED C[C@@H]1CCCC[C@@H]1[C@@H](C)NCc1ccc(OCC#N)cc1 823830838 GHVPILHASYNCMR-RKVPGOIHSA-N 286.419 3.893 30 20 CHED CCNc1nnc(SCCCCC2(C#N)CCC2)s1 901435181 TXLIECMVWFRKSW-UHFFFAOYSA-N 296.465 3.926 30 20 CHED CC(=NOCCOC(C)C)c1cc2ccccc2o1 588422174 LYOABBGQBYXEHB-UHFFFAOYSA-N 261.321 3.598 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(OCCO)cc1 823548894 ADYOHOWGSNWHKJ-CQSZACIVSA-N 263.381 3.605 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1cccc(Cl)c1O 903101114 ABFHHNCCZOKMKO-GFCCVEGCSA-N 266.772 3.636 30 20 CHED CC(C)CCOc1ccc(/C=C\C(=O)c2ccnn2C)cc1 588594859 CKUBEGNQMALKAE-TWGQIWQCSA-N 298.386 3.741 30 20 CHED C=C(C)CN(C)Cc1ccc(OC)c(OCC(C)C)c1 497141491 DXCGSGCLLUZCDO-UHFFFAOYSA-N 277.408 3.738 30 20 CHED CC(C)N(CCC#N)Cn1ccc(=S)c2ccccc21 739841068 DKIOKOJGPLLFNO-UHFFFAOYSA-N 285.416 3.952 30 20 CHED C=CCCCCCN(C)Cn1[nH]c(C(C)(C)C)nc1=S 739885748 RHIGAPNSJZLQFJ-UHFFFAOYSA-N 296.484 3.874 30 20 CHED Cc1cccc(CCC(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 839043915 LIIAYGVWLQFFGZ-CVEARBPZSA-N 271.360 3.553 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)Cc2ccsc2)cc1 733325486 ORBXPVHVFJCEEP-HNNXBMFYSA-N 299.439 3.871 30 20 CHED CCC[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)C(C)C 839051553 DURAASSHMFNHKY-MCIONIFRSA-N 251.370 3.684 30 20 CHED N#CC1(CCCCOC(=O)c2ccc(Cl)nc2)CCC1 908700684 OLNHVSAUKXFEHC-UHFFFAOYSA-N 292.766 3.756 30 20 CHED CC(=NNc1ccncn1)c1ccc(C(C)(C)C)cc1 835001759 JIVRZWHHUOBROW-UHFFFAOYSA-N 268.364 3.610 30 20 CHED Cc1nn(C)c(/C=C2/CCc3ccccc3C2=O)c1Cl 901418043 XXEPQNNTDOXXLJ-XFXZXTDPSA-N 286.762 3.594 30 20 CHED C#CCOc1cccc(N=Cc2cc(OCC)ccc2O)c1 730950284 CMBHOXVODHWQLY-UHFFFAOYSA-N 295.338 3.554 30 20 CHED C#Cc1cccc(NC(=O)N2CCC3(CCCC3)CC2)c1 738890039 NACIROHFNJYQKU-UHFFFAOYSA-N 282.387 3.856 30 20 CHED CCC(CC)N(CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 589642480 SFMUOMMZFLMSQI-ZDUSSCGKSA-N 287.407 3.839 30 20 CHED COc1ccccc1NC(=S)NN=C(C)C1CCCC1 733077760 KQPKBXKKJPCYOJ-UHFFFAOYSA-N 291.420 3.548 30 20 CHED C=CCC1(C(=O)OCCc2csc(C)n2)CCCC1 835906829 PAVBIBATOYERKF-UHFFFAOYSA-N 279.405 3.674 30 20 CHED Oc1ccc(Cl)cc1/C=N\CC1CCSCC1 733205057 IYPIXLBKIZRAKX-DHDCSXOGSA-N 269.797 3.608 30 20 CHED C(=NNc1nccc2sccc12)c1ccccc1 915980567 UORFERDUYMSXEK-UHFFFAOYSA-N 253.330 3.742 30 20 CHED CCc1ncc(CSc2ccc(C#N)c(C)c2)o1 917872492 FVAHVSDDJZSEMQ-UHFFFAOYSA-N 258.346 3.709 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCC#N 916742592 BAPVCQCEABJLDA-NVXWUHKLSA-N 299.418 3.658 30 20 CHED C#CCN(CC)C(=O)N[C@H](c1ccccc1)C1CCCCC1 919908856 MTGUZVMLXTZVNL-GOSISDBHSA-N 298.430 3.973 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 596927764 IAOZVNXFGKVLER-CQSZACIVSA-N 283.375 3.687 30 20 CHED C[C@@H](C/N=C\c1ccccc1O)Oc1ccc(Cl)cc1 743044614 MXWIRGPDBJKGJP-SJWFJVLYSA-N 289.762 3.932 30 20 CHED COc1cccc(-c2nc(C=NOCC(C)C)cs2)c1 749626855 WCYSVODPPXAHNV-UHFFFAOYSA-N 290.388 3.825 30 20 CHED CC(C)(C#N)C[C@H](O)CN1CC2(CCC2)[C@H]1c1ccccc1 598705582 KVFAOHOCGXFGQQ-DLBZAZTESA-N 298.430 3.514 30 20 CHED Cc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)ccc1F 748677946 WDQAZKJHCCRDLI-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C=CCC1(NC(=O)[C@H](C#N)CCc2ccccc2)CCCC1 598297605 YLZCQXUZFHRFST-KRWDZBQOSA-N 296.414 3.764 30 20 CHED C[C@@H]1CCCCCC1=NNc1ncc(F)cc1F 844602371 PTEJOLGYCSUAEN-SECBINFHSA-N 253.296 3.728 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CCCCC2(F)F)c1 840707157 OAKIXZCALCDSIZ-SXGUVYOMSA-N 298.289 3.545 30 20 CHED FC(F)(F)c1cccnc1NN=C1CCc2ccccc21 915051100 LCDHLLDLMAGPPV-UHFFFAOYSA-N 291.276 3.863 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 594090266 SWEURKKFQMBCBQ-FGTMMUONSA-N 292.382 3.704 30 20 CHED CCN(CCO)N=C1CCC[C@H](c2cccc(Cl)c2)C1 842538638 NDDCUPUYPRTHJU-AWEZNQCLSA-N 294.826 3.668 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(OCC#N)c2)C1(C)C 915740893 QUTOCRDMKQPZLR-JKSUJKDBSA-N 298.386 3.766 30 20 CHED CCC[C@@H](C)CC(=O)OCCCOc1ccc(C#N)cc1 748962244 YWSZEXOKIXWXGE-CQSZACIVSA-N 289.375 3.697 30 20 CHED CCOc1cccc(C(C)=NNc2nc3ccccc3[nH]2)c1 743526299 QOFWEEYRHYKSOW-UHFFFAOYSA-N 294.358 3.798 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 593720390 QWGLIQHYVHQZNO-XUVXKRRUSA-N 288.394 4.000 30 20 CHED Cc1cc(C)c([C@@H](C)OC(=O)c2cc(C#N)c[nH]2)c(C)c1 748222910 NLJCQEZZDIPCAB-CYBMUJFWSA-N 282.343 3.730 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)sc1C 678881818 UWOMDVQXQYUSQG-JTQLQIEISA-N 251.395 3.840 30 20 CHED C=CCCSCC/N=C\c1cc(OCC)ccc1O 849170460 PPHLRTQAWIRSHS-VBKFSLOCSA-N 279.405 3.519 30 20 CHED CO[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C1CCCC1 595095932 TXOWTSNQKIDSBT-SJCJKPOMSA-N 290.382 3.553 30 20 CHED C[C@H]1CCCCCC1=NNc1cnnc2ccccc12 844580961 FSTPUOJVOLQJCU-LBPRGKRZSA-N 268.364 3.998 30 20 CHED C=C(C)CONC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 845591090 IDMSCBKHIXQZTG-LBPRGKRZSA-N 288.347 3.643 30 20 CHED C[C@H]1CC[C@H](C(=O)[C@H](C#N)c2cnc3ccccc3n2)CC1 845532054 QGZWUQOUYSADTD-MGPQQGTHSA-N 293.370 3.632 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCCc1ccccc1 912773769 VWNYCXJBSJXCIT-XSFVSMFZSA-N 290.366 3.992 30 20 CHED CC(C)(C)c1cccc(OCCOCCC#N)c1Cl 594907692 CCBRVBOHNCCIAP-UHFFFAOYSA-N 281.783 3.947 30 20 CHED C=CCCn1cc(/C=C/C(=O)c2cc(C)c(C)cc2C)nn1 849242566 HYFYRAGRODGKFQ-BQYQJAHWSA-N 295.386 3.676 30 20 CHED C=CCCN(C)C(=O)NCc1cccc(Cl)c1Cl 682416460 OUFSGPIZQWMOOQ-UHFFFAOYSA-N 287.190 3.711 30 20 CHED N#CCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 912728255 NZUKDTBPQRJIQA-UHFFFAOYSA-N 293.632 3.593 30 20 CHED CC[C@H](N[C@H](C#N)c1ccccc1)c1nc(C)cs1 595432585 SINUTRICGXFENU-UONOGXRCSA-N 271.389 3.757 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N(C[C@H](C)C#N)C2CC2)cc1C 597439210 UJOMLBKWPJSWPD-OCBCSQNSSA-N 296.414 3.558 30 20 CHED CCN(C(=O)CSc1ccc2ccccc2c1)[C@H](C)C#N 598346533 KNIYONZFUITINZ-CYBMUJFWSA-N 298.411 3.692 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1cnn(C)c1Cl)C2=O 848643502 ZADXTGJXTFITRN-KPKJPENVSA-N 286.762 3.513 30 20 CHED CCc1noc(C)c1CN[C@H]1CCCc2cc(C#N)ccc21 590258877 JLUMBPXHRDRHMU-SFHVURJKSA-N 295.386 3.584 30 20 CHED C[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 920943893 CUMCITJWYUVEII-UEMWTREESA-N 284.315 3.523 30 20 CHED CCCCCCO[C@H](C)C(=O)N(C)c1ccc(C#N)cc1 841132436 WWPMDCDQQFEXOZ-CQSZACIVSA-N 288.391 3.506 30 20 CHED CC(=NN=C1CCC[C@H]1c1ccc(F)cc1)c1cnccn1 745203571 KCHAAUTVZBNXFO-HNNXBMFYSA-N 296.349 3.748 30 20 CHED C#CC(C)(C)NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 841117591 XUZYNQTXDSVUHQ-ZDUSSCGKSA-N 297.320 3.727 30 20 CHED C=CCCCC(=O)OCc1cccc(OC(C)C)c1 748236621 WYZUVRFGHOKCKK-UHFFFAOYSA-N 262.349 3.873 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc(OCC#N)c1 843530606 JYHNYQLALYUKIN-SWLSCSKDSA-N 286.375 3.600 30 20 CHED CN(CCCCC1(C#N)CCC1)c1cccc(O)c1 929983770 HAJOOGGBALFKJQ-UHFFFAOYSA-N 258.365 3.693 30 20 CHED COc1ccc(NN=C2CSCCc3ccccc32)cc1 750946302 OUGDJUWAXCUFHZ-UHFFFAOYSA-N 298.411 3.801 30 20 CHED C=CCCOCC(=O)O[C@H](C)c1ccc(F)c(Cl)c1 920731610 WQZQKZRQECAVRZ-SNVBAGLBSA-N 286.730 3.676 30 20 CHED CCSc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cn1 851209961 LZRJJVLVULIWMA-LLVKDONJSA-N 292.404 3.679 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@@H]1CCCC[C@H]1C 920716943 VIVVJBSWSRPKFR-OCCSQVGLSA-N 287.359 3.689 30 20 CHED C#CCN(C(=O)c1cc2cccc(Cl)c2o1)C(C)C 928626663 AOFOXECJUQFDRY-UHFFFAOYSA-N 275.735 3.570 30 20 CHED COc1ccc(CCC(C)=NNc2ccccc2)cc1O 754900436 HFNXXSIOOLSQQX-UHFFFAOYSA-N 284.359 3.821 30 20 CHED Cc1ccc2c(c1)C(=NOCC(F)(F)F)CCC2 753930023 SNQBVWQEOPJNLL-UHFFFAOYSA-N 257.255 3.614 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2c(c1)CCC2 851214564 SACLDMFFMCCIKP-GFCCVEGCSA-N 271.360 3.660 30 20 CHED CCCCCCCCNC(=O)CCc1cscn1 754849250 ICKYUQLDIOFUQD-UHFFFAOYSA-N 268.426 3.552 30 20 CHED O=[N+]([O-])c1ccccc1NN=C[C@@H]1CCOc2ccccc21 752156521 BVMXVFKWGITJPB-LBPRGKRZSA-N 297.314 3.559 30 20 CHED C#C[C@@H](CC)NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 754366193 GCOBBPNMIDFIJR-YOEHRIQHSA-N 271.404 3.832 30 20 CHED C=C(Cl)CSCCCC1(C#N)CCOCC1 853784242 ZTEJIZJGEVCLDV-UHFFFAOYSA-N 259.802 3.573 30 20 CHED CC1(C)CCC/C(=C2\COc3ccc(F)cc32)C1=O 757534964 PEXQYILQGRJKHR-QBFSEMIESA-N 260.308 3.751 30 20 CHED C#CC[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccccc1 757057218 FQGBJHYHHPYPHM-GOSISDBHSA-N 292.382 3.593 30 20 CHED Cc1ccc([C@@H](C)C(=O)O[C@H](C)CC(C)(C)C#N)o1 851210525 WCTGJBAKSVFUPH-VXGBXAGGSA-N 263.337 3.563 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 750610709 MRMOYIAEYCDWMQ-UHFFFAOYSA-N 294.782 3.789 30 20 CHED CC(C)c1ncc(C=NNc2ccc(Cl)nc2)s1 758377665 BECUIZOYKZDYTP-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C=CC[C@H](C)NC(=O)OCc1cccc(Cl)c1 858992022 YUEFPNAOZGNCEP-JTQLQIEISA-N 253.729 3.531 30 20 CHED C[C@@H]1CCCC[C@H]1CNc1ccc(F)cc1OCC#N 753570344 MMSWLJYXTDKESL-OLZOCXBDSA-N 276.355 3.966 30 20 CHED C#CC[C@H](NC(=O)/C=C(\C)C(C)(C)C)c1ccccc1 757594342 BQTLAWIVVFZMIC-VUSFMPOISA-N 269.388 3.860 30 20 CHED C=C(C)[C@@H](CC(=O)NC(C)(C)c1ccc(F)cc1)OCC 755860878 YVZRXQPPLRFIHI-OAHLLOKOSA-N 293.382 3.548 30 20 CHED C[C@H](c1ccccn1)N1CCC(c2ccc(C#N)cc2)CC1 933609551 BKRBUMILDURIGE-OAHLLOKOSA-N 291.398 3.894 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC2(CC2)c2ccccc21 933324702 ZOUMVNPMYMYIIK-UHFFFAOYSA-N 288.350 3.559 30 20 CHED COc1cc(C)c(/C=C\C(=O)c2occc2C)cc1OC 769784229 REPMGUSMOYQPII-WAYWQWQTSA-N 286.327 3.810 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)NCC1(CC#N)CC1 935782616 SLMQFCZTPSZJOP-UHFFFAOYSA-N 284.403 3.699 30 20 CHED Cc1cc(NN=Cc2ccc(F)c(Cl)c2Cl)ncn1 761814485 ADTZEHYWTXEFHX-UHFFFAOYSA-N 299.136 3.677 30 20 CHED CC(=NNc1cccc(F)c1Cl)[C@]1(C)CCCO1 863158896 WRIXBJFUCQJUQY-ZDUSSCGKSA-N 270.735 3.836 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ncc(F)cn1)CCC2 760246484 BNIIEMPULUCQJB-UHFFFAOYSA-N 298.365 3.892 30 20 CHED CCCCCCCCCCC(=O)N[C@@H]1CC(C)(C)OC1=O 762037596 GCDRONAJQMGJQH-CQSZACIVSA-N 297.439 3.728 30 20 CHED CCCCCCC[C@@H](C)N[C@@H]1CCc2c[nH]nc2C1 768517027 GZIPDOVOIBOMQB-UKRRQHHQSA-N 263.429 3.606 30 20 CHED Cc1noc(C)c1/C=C1\Cc2ccc(Cl)cc2C1=O 762445891 ADWXVEYWHOPISZ-IZZDOVSWSA-N 273.719 3.767 30 20 CHED C=CCCC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 761362869 VGEILOHUUSQPAH-UHFFFAOYSA-N 287.142 3.686 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(OC)c2ccccc12 761359618 NFMWZJARCLHNKK-UHFFFAOYSA-N 298.338 3.541 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cscn2)cc1C 769258852 DPJGJWBPETXSAF-PLNGDYQASA-N 257.358 3.964 30 20 CHED C#CCCCN1CC=C(c2ccccc2Cl)CC1 768793143 SLIXIQIAVCBULZ-UHFFFAOYSA-N 259.780 3.843 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC(c3ccccc3)C2)cc1 877665533 AOMVKXNEVBAGCG-OAHLLOKOSA-N 292.382 3.577 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccc(Br)c(F)c1 769827763 JLVHAINKJFLCJX-SFYZADRCSA-N 271.133 3.642 30 20 CHED COCc1ccc(C=NNc2c(C)cccc2F)cc1 769842172 ZSLVPEIECMSCSF-UHFFFAOYSA-N 272.323 3.727 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(C(C)(C)O)cc1 767370435 GXTPYELGDGSQHT-CQSZACIVSA-N 296.414 3.989 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1[C@@H]2CCCO[C@H]2C1(C)C 773124808 LMWGEWRMXGFZDX-KCQAQPDRSA-N 278.440 3.736 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C#N)cc2F)ccc1O 772809304 YAOYADOASHSIBK-DAXSKMNVSA-N 281.286 3.608 30 20 CHED Cn1cc(-c2ccc(C=NOCc3ccccc3)cc2)cn1 1116874203 TVIFSADKGJVOGE-UHFFFAOYSA-N 291.354 3.638 30 20 CHED C#CCCCCCC(=O)N1CC(C)(C)c2ccccc21 779933245 JODDSTRJQZRKQN-UHFFFAOYSA-N 269.388 3.895 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cccc2ncccc12)OCC 873371814 SBCFPCOZORNHRE-KRWDZBQOSA-N 299.370 3.649 30 20 CHED Cc1ccc(OC(=O)c2ccc(C#N)c(Cl)c2)cc1 777401595 KDFYJMYVPOMKND-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C=CCn1c(C)nnc1SCc1ccc(CF)cc1 777530807 JWRJUPNLQQKPDT-UHFFFAOYSA-N 277.368 3.534 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2C[C@]2(C)C(C)C)cc1 1129494033 ZBGBPSZAHLWWCB-ZIFCJYIRSA-N 298.430 3.954 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3CCC(C)(C)C3)[nH]c12 781808522 SPLTYRBEPDWEOO-OLZOCXBDSA-N 295.386 3.874 30 20 CHED C#Cc1ccc(C(=O)NC2CCC3(CCCCC3)CC2)cn1 787494909 MXCDJPAPQCSWMO-UHFFFAOYSA-N 296.414 3.686 30 20 CHED CCCC1CCC(C=NOC[C@H]2CCOC2)CC1 788031659 XEVXXIPOYQGLMS-NRXISQOPSA-N 253.386 3.632 30 20 CHED CC(C)CC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1125524025 RUOHEUKQLGHKGM-UHFFFAOYSA-N 295.342 3.730 30 20 CHED COC1CCC(=NNc2ncc(Cl)cc2Cl)CC1 783807386 RNUJVOIKZAGPBI-UHFFFAOYSA-N 288.178 3.745 30 20 CHED CC(C)(C)CCNN=Cc1ccc(F)cc1Cl 782902864 LERNCBMWZMWHMX-UHFFFAOYSA-N 256.752 3.839 30 20 CHED Cc1ccc([C@@H](NCc2ccc(C#N)cn2)C2CC2)cc1 783292365 AOESVHAHYPFQQM-GOSISDBHSA-N 277.371 3.503 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(C#N)c(C)c1 784615266 VHZBCWZLAAHGBQ-WCQYABFASA-N 259.349 3.592 30 20 CHED C[C@@H]1CCCC(=NNc2nnc(-c3ccccn3)s2)C1 788031303 CXWMFOCEJOETTF-SNVBAGLBSA-N 287.392 3.578 30 20 CHED C#CCC1(C(=O)Nc2cc(F)ccc2F)CCCCC1 788423579 KUVPEUWCDMSPIT-UHFFFAOYSA-N 277.314 3.877 30 20 CHED CC(C)c1cnc(COC(=O)C2(C#N)CCCCC2)s1 783486508 NXAOHNWTPUAZQQ-UHFFFAOYSA-N 292.404 3.784 30 20 CHED CCCCCCCCNC(=O)c1cnn(C(C)C)c1 787137357 HBOYDHSRZSAWSA-UHFFFAOYSA-N 265.401 3.554 30 20 CHED C=CCC[C@H](C(=O)NC[C@@H]1CCC=CO1)c1ccccc1 781068655 OAXASTPMWSKYFE-IRXDYDNUSA-N 285.387 3.545 30 20 CHED CCC(=NNCCc1ccccn1)c1ccc(CC)cc1 789124521 HUJFVRVNTBLQJK-UHFFFAOYSA-N 281.403 3.590 30 20 CHED C[C@@H](C=NN[C@@H]1CCOC(C)(C)C1)CCc1ccccc1 780249788 DNFBTTHHNPCFKQ-NVXWUHKLSA-N 288.435 3.788 30 20 CHED N#Cc1cccc(NCc2cc(Cl)cc(Cl)c2)n1 1472829788 AHNDKHXJWUMDHF-UHFFFAOYSA-N 278.142 3.872 30 20 CHED CCc1nc(C)c([C@@H](C)N(C)CCCSCC#N)s1 80632009 LEGKBTIMJMFOAN-GFCCVEGCSA-N 297.493 3.654 30 20 CHED Cc1ccc(NN=C2CC[C@@](C)(c3ccccc3)C2)nn1 780224302 BUCZEEUHOCGAIK-QGZVFWFLSA-N 280.375 3.695 30 20 CHED C=C[C@H](C)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786505719 ZWRFKYOAHQHLPY-RYUDHWBXSA-N 257.333 3.779 30 20 CHED N#CC1(CNCc2ccc(SC(F)(F)F)cc2)CC1 797605562 RBBQIDFSISPLGD-UHFFFAOYSA-N 286.322 3.692 30 20 CHED C#C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(C)C 799041914 GPBNBPHASDBUSZ-LJQANCHMSA-N 291.394 3.670 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)C1CC1 279841870 AESQLKCTGVZFDA-CQSZACIVSA-N 272.392 3.573 30 20 CHED COCCN(C)N=C(CCc1ccc(Cl)cc1)C(C)C 794963325 QIWFTRDAMZUTNB-UHFFFAOYSA-N 296.842 3.863 30 20 CHED Cn1cnc(/C=C/C(=O)c2cc(Cl)sc2Cl)c1 798232250 PEYBLJVQQTZNTR-NSCUHMNNSA-N 287.171 3.685 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)[C@H]1CCCC[C@@H]1C 799329728 LFFDABYPNBJFMW-YOEHRIQHSA-N 284.403 3.908 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(Cl)cc1OC 799228471 QJFWEUDWQAMIGS-NSHDSACASA-N 282.771 3.825 30 20 CHED N#Cc1ccc(OCc2cccc(Cl)n2)cc1Cl 190270184 YWNANUAEYYMZRH-UHFFFAOYSA-N 279.126 3.839 30 20 CHED COCCCON=C1C[C@H](c2ccccc2)C1(C)C 795050662 GNUFPHWMKBAGBW-CQSZACIVSA-N 261.365 3.609 30 20 CHED CC[C@](C)(C#N)C(=O)OC[C@H](OC(C)C)c1ccccc1 795598200 HAEIFFHSBUUOSU-DOTOQJQBSA-N 289.375 3.636 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2cccc(Cl)c2)[C@@H]1C 794454586 JHZADAVRMMIEPJ-GHMZBOCLSA-N 294.782 3.717 30 20 CHED Cc1nc(-c2ccc(C(=O)OCC3(C#N)CC3)cc2)cs1 799519872 YEFWVRYRLWYVAO-UHFFFAOYSA-N 298.367 3.579 30 20 CHED Cc1noc(C2CCC(=NOC3CCCCC3)CC2)n1 797403785 YZSFRQVAJZTLSY-UHFFFAOYSA-N 277.368 3.741 30 20 CHED CN(C(=O)[C@@H](F)CC1CCCCC1)c1cccc(C#N)c1 793190113 SMHYVKGOOMIHCC-INIZCTEOSA-N 288.366 3.830 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(NC(N)=O)cc1 793524209 KRPXQQOKLAMEME-AWEZNQCLSA-N 289.423 3.792 30 20 CHED Cc1ccccc1-n1nccc1/C=C/C(=O)c1ccco1 794941791 YCOXKHROZTUYAZ-CMDGGOBGSA-N 278.311 3.670 30 20 CHED Cc1cc(CN[C@H](C)COc2ccc(F)cc2)ccc1C#N 1308255560 CRBJSTJEBMLNGB-CQSZACIVSA-N 298.361 3.563 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](Nc2cncc(C#N)n2)C1 1163494634 QKVMCWPMYMZIRG-CWRNSKLLSA-N 292.386 3.733 30 20 CHED Cc1cc(N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(C#N)cn1 1162706260 PXOFCKOVCZQYGC-RDJZCZTQSA-N 291.398 3.719 30 20 CHED CCOc1ccccc1C=NOCc1nc(C)sc1C 1319432207 JTPNSSWIVMZIFR-UHFFFAOYSA-N 290.388 3.709 30 20 CHED Cc1cccc(C=NNc2ccc(C(C)(C)C)nn2)c1 1318580153 KYPQYAFSPCZELC-UHFFFAOYSA-N 268.364 3.529 30 20 CHED C[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)CC1 1232605164 VCJABZBWPQNZAI-LBPRGKRZSA-N 262.784 3.834 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cs1 1324613446 XKQMFHUAQBWIPE-CQSZACIVSA-N 296.395 3.640 30 20 CHED C=CCC1(C(=O)Nc2cccc(CN3CCCC3)c2)CCC1 1321828929 NIIVHHIXZXLSQC-UHFFFAOYSA-N 298.430 3.967 30 20 CHED N#Cc1cc(NC(=O)CC#Cc2ccccc2)ccc1Cl 1323857628 NRLIQPSNQPGYJY-UHFFFAOYSA-N 294.741 3.592 30 20 CHED C=CCC(CC=C)c1nnc(-c2c(C)nc3ccccn23)o1 1328198129 GVEUMOIZKMRWGM-UHFFFAOYSA-N 294.358 3.929 30 20 CHED COc1ccccc1C1(NCc2ccc(C#N)cc2)CCC1 1328548606 GQXUHQNFJXCFSS-UHFFFAOYSA-N 292.382 3.736 30 20 CHED CC(C)(NC(=O)c1csc(C#N)c1)C1CCCCC1 1324356483 MDSOPJQKXILENK-UHFFFAOYSA-N 276.405 3.708 30 20 CHED N#C[C@H](c1ccccc1)N1CCC=C(c2ccco2)C1 1170185377 ZIRDHDJCIUTGGW-MRXNPFEDSA-N 264.328 3.634 30 20 CHED CC(C)C[C@H]1CCCCN1c1cccc(CC#N)n1 1324085411 OVFSDKQOFMTGGK-OAHLLOKOSA-N 257.381 3.553 30 20 CHED C=CCCCCC[C@H](C)NCCC(=O)N1CCC[C@H](C)C1 1323409814 PDNQYUXBLCPANP-IRXDYDNUSA-N 294.483 3.750 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](C)c1nc(C)cs1 1336761183 XYIDTGOPJZDBJQ-OLZOCXBDSA-N 278.421 3.512 30 20 CHED CCN(C(=O)c1coc(SC)c1)c1ccc(C#N)cc1 1265385877 SVAZDIRZWGRHQM-UHFFFAOYSA-N 286.356 3.540 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1ccc(F)c(C#N)c1 1264069811 PLTVFIZSWOULRW-GFCCVEGCSA-N 276.355 3.644 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)Cc1ccn(C(C)C)n1 1346350427 JCLXIRFNXCUVBB-GDBMZVCRSA-N 290.407 3.685 30 20 CHED N#Cc1cc(C(=O)OCCC2(C#N)CCCCC2)cs1 1261365939 CVTOLCKHPGBGRX-UHFFFAOYSA-N 288.372 3.641 30 20 CHED C=C(C)CCOC(=O)C(F)(F)c1ccc(Cl)cc1 1348466609 ZEKAHJFIDJSKLO-UHFFFAOYSA-N 274.694 3.941 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc2ccc(C)cc2o1 1343643115 IGBSFELIJDNYIS-OCCSQVGLSA-N 259.349 3.593 30 20 CHED Cc1c(C(=O)O[C@H]2CC[C@@H](C#N)C2)oc2c(F)cccc12 1342575319 OMYNXCSXYHUSPB-MNOVXSKESA-N 287.290 3.729 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1cnc(Cl)cc1C#N 1262797755 YJLRRECUGXKSLZ-SNVBAGLBSA-N 279.771 3.762 30 20 CHED N#Cc1cc(C(=O)Nc2cc(Cl)ccc2F)cs1 1348610618 DUQNJCUJAARLCL-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 1262612591 HVPYRWRCVXJCSV-WBVHZDCISA-N 271.404 3.822 30 20 CHED CCCCCCCCNC(=O)NC1(C2CC2)CCOCC1 1342695790 YQZSYDKDARAHEK-UHFFFAOYSA-N 296.455 3.605 30 20 CHED CCCc1ccccc1NC(=O)c1ccsc1C#N 1354261393 RIUSZXYGBYRGQY-UHFFFAOYSA-N 270.357 3.825 30 20 CHED Cc1cc(CSc2nnc(C)c(C)c2C#N)cs1 1354149530 QYRPEOHPJOORFW-UHFFFAOYSA-N 275.402 3.627 30 20 CHED C=C(Cl)Cn1c(N2CC[C@@H](CC)C2)nnc1C(C)(C)C 1359156998 VYOBISLHJUGRHH-GFCCVEGCSA-N 296.846 3.564 30 20 CHED Cc1cc([C@H](C)NC(=O)Nc2sccc2C#N)c(C)o1 1354906995 USBUQANYAVQLAN-VIFPVBQESA-N 289.360 3.712 30 20 CHED C#CCSCCNCc1cc(-c2ccccc2)cs1 219223608 KAXWIXVLDUABAK-UHFFFAOYSA-N 287.453 3.871 30 20 CHED C=C(CNC(=O)C1=CCC(C)(C)CC1)c1ccccc1 1450851456 SREJABKMNNPTAR-UHFFFAOYSA-N 269.388 3.953 30 20 CHED CCc1ccccc1C(=O)Nc1cc(C#N)ccc1F 1528456664 ORDUUCGQZIZTAY-UHFFFAOYSA-N 268.291 3.512 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@H]2CCc3cc(F)ccc32)c1 1528047897 PVXNHKMEFPQVEC-AWEZNQCLSA-N 298.292 3.505 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(Cl)cc2)cs1 1529901839 NBWXQVFZVDAQTE-UHFFFAOYSA-N 262.721 3.525 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1 1465800443 OGKGMEJQOQSEQE-BXUZGUMPSA-N 289.354 3.788 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cnc3ccsc3c2)c1 1535455578 OUYAGXCLZQHICW-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1Oc1ccccn1 1463158700 SMQXNTOPNXQRPL-UHFFFAOYSA-N 295.342 3.752 30 20 CHED Cc1cc(NC(=O)c2ccsc2C(F)F)ncc1C#N 1461216862 IJHSTRNAJAJKFL-UHFFFAOYSA-N 293.298 3.513 30 20 CHED N#Cc1cc(F)cc(NC/C=C\c2ccc(F)cc2)c1 1461692611 MGPCCVGPCFISAS-UPHRSURJSA-N 270.282 3.962 30 20 CHED CCN(C[C@](C)(OC)C1CC1)[C@@H](C)c1ccc(C#N)cc1 1474370038 OAJTZBVOAJDXIF-KSSFIOAISA-N 286.419 3.756 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@H]1Nc1ccnc(C#N)n1 1472752393 KCCPPQYSKWFCIG-KDOFPFPSSA-N 292.386 3.720 30 20 CHED N#Cc1ccc(Sc2cc(F)ncn2)cc1C(F)(F)F 1472740400 IUTJEUTZYYFTRZ-UHFFFAOYSA-N 299.252 3.657 30 20 CHED Cc1cccc(CCC(=O)Nc2cc(F)cc(C#N)c2)c1 1624286954 CNAVRTODOOBKDF-UHFFFAOYSA-N 282.318 3.577 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 1623025540 PQLPHYUWQQBNBE-VXGBXAGGSA-N 289.354 3.645 30 20 CHED CC(C)Cc1ccc(C(=O)N(CCC#N)CC(C)C)s1 1631265699 MBBBELGQTIUYQO-UHFFFAOYSA-N 292.448 3.958 30 20 CHED CC1(C)CCC(CNc2ncc(C#N)cc2F)CC1 1642534364 PUVSFPGWCMXYRL-UHFFFAOYSA-N 261.344 3.721 30 20 CHED CC(C)CC1CCN(CCc2ccc(C#N)cc2)CC1 1641992318 QFNRRFWRYUJSRH-UHFFFAOYSA-N 270.420 3.859 30 20 CHED COc1cc(OC[C@@H]2CCCC[C@H]2C)ccc1C#N 1643890726 OWABQIMMAVCBHM-OCCSQVGLSA-N 259.349 3.772 30 20 CHED CN(c1nc(C#N)c(Cl)s1)[C@@H]1CCC(C)(C)C1 1655443714 TZMXZXGBYOBBQO-MRVPVSSYSA-N 269.801 3.683 30 20 CHED N#Cc1c(F)cccc1Sc1cc(C2CC2)ncn1 1651187029 LYZFBZXJUGAKLL-UHFFFAOYSA-N 271.320 3.516 30 20 CHED N#Cc1ncccc1SCc1ncc(-c2ccccc2)o1 1656553426 OECGNCSWUJPQJP-UHFFFAOYSA-N 293.351 3.901 30 20 CHED CCCC[C@@H]1CCC[C@H]1Nc1ncc(C#N)cc1F 1651485221 NSSHXXJTWYVAHN-TZMCWYRMSA-N 261.344 3.863 30 20 CHED N#Cc1csc(CNc2ccccc2OCCF)c1 1651117301 UHLZEPZNNUANSM-UHFFFAOYSA-N 276.336 3.580 30 20 CHED CCc1cccc(N(C)Cc2ccc(F)cc2C#N)c1 1658902068 FDOWYXIRXXWRCA-UHFFFAOYSA-N 268.335 3.896 30 20 CHED CCCC[C@H](S[C@@H](C#N)Cc1ccc(C)cc1)C(=O)O 1595651550 HUOVHWQAPNVHIB-CABCVRRESA-N 291.416 3.806 30 20 CHED CCC(=NN1CCCC[C@@H]1C)c1cc(C(=O)O)ccc1F 1776091398 KGVVAAKIRMVWOD-NSHDSACASA-N 292.354 3.512 30 20 CHED C=CC[C@H](Cc1ccccc1)Nc1nc(C)ccc1C(=O)O 1776151680 STBUGBMRWPAWEE-OAHLLOKOSA-N 296.370 3.688 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ccccc1C(=O)O 1776030818 UWXOINZQCPXMMI-LLVKDONJSA-N 262.353 3.999 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)c(F)c2)cs1 1777418492 OCLLQYOMGMNAOI-HWKANZROSA-N 290.315 3.790 30 20 CHED C[C@H](Sc1ccccc1)C(=O)NC1(C#N)CCCCC1 5873213 HKNSGZSCSONCGM-ZDUSSCGKSA-N 288.416 3.510 30 20 CHED C#CCCCCNCc1ccc(OC)c(O[C@H](C)CC)c1 150729898 QANQRIICQBGHMO-OAHLLOKOSA-N 289.419 3.766 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 150740235 GCVILLUEPDFYEI-HOTGVXAUSA-N 293.451 3.712 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@@H]1CCc2ccccc2C1 162275400 ZDXCSBDMWRRKAA-RHSMWYFYSA-N 292.382 3.947 30 20 CHED C=C(C)CN(CC)Cc1cc(Cl)c(OC)c(OC)c1 158997618 HGPSTDVCOHUWAZ-UHFFFAOYSA-N 283.799 3.755 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)c1cccs1 165204298 RGSHIJIURHUJRA-LBPRGKRZSA-N 256.374 3.779 30 20 CHED CC(C)(CCC#N)CNCCNc1ccc2ccccc2n1 151143089 IVBHCNWKEPSAKP-UHFFFAOYSA-N 296.418 3.566 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(C(=O)CC)c1 152401191 AENFAVQIHRTLBM-UHFFFAOYSA-N 274.364 3.709 30 20 CHED C=C[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 154216491 ULEZCZNPGZENPQ-GHMZBOCLSA-N 285.309 3.890 30 20 CHED CCN(C(=O)c1occc1C)c1ccc(C#N)c(Cl)c1 156568911 HWGJTWBTKMQFSI-UHFFFAOYSA-N 288.734 3.780 30 20 CHED O=C1/C(=C\c2cccc3c2OCCCO3)Cc2ccccc21 208339375 SMJUYAKPFNRRES-QINSGFPZSA-N 292.334 3.670 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 209439401 BGLODSWXJHSLFX-CLFYSBASSA-N 297.310 3.808 30 20 CHED Cc1csc(C(=O)Nc2ccc(F)cc2C#N)c1Cl 235966606 PXSKHFUSRDEERP-UHFFFAOYSA-N 294.738 3.973 30 20 CHED CCc1sc(C(=O)N(C)c2ccccc2C#N)cc1C 268756542 YBIIDGCQVUOTOU-UHFFFAOYSA-N 284.384 3.767 30 20 CHED Cc1cc(C#N)ccc1CN1CCC2(CCCC2)C1 186245373 VYJWJDXTDAUSTJ-UHFFFAOYSA-N 254.377 3.633 30 20 CHED CCc1nc(C#N)cc(Sc2ccc(C)c(C)c2)n1 308280485 JKCJFBBYUZCGND-UHFFFAOYSA-N 269.373 3.679 30 20 CHED C=CC[C@H](CC)Nc1ncccc1Br 308512625 LMOQITVBYSDBKN-VIFPVBQESA-N 255.159 3.611 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccncc1Cl 75596084 OHIULIGLZOSFLZ-UHFFFAOYSA-N 272.779 3.923 30 20 CHED Cc1cc([C@@H](C)Nc2cc(C#N)sc2[N+](=O)[O-])c(C)o1 407085509 AEVHXEOWMVZGBC-MRVPVSSYSA-N 291.332 3.911 30 20 CHED N#CCc1cccc(N[C@@H]2CCCC23CCOCC3)c1 313437853 OJAJRESAWNAYIN-MRXNPFEDSA-N 270.376 3.514 30 20 CHED C[C@H](C#N)OCCNc1ccc(Cl)c(C(F)(F)F)c1 381659832 MREAIGWUIYCUAV-MRVPVSSYSA-N 292.688 3.699 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccc(SC)cc1 804834697 NBJPSNLJAWRMJO-UHFFFAOYSA-N 295.407 3.684 30 20 CHED C=CC[C@@H](CC)N[C@H](C)CCc1ccc(OC)cc1 393794617 OEBMFNTVYDCCPC-GDBMZVCRSA-N 261.409 3.961 30 20 CHED CSCc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 8126372 CMDPPVWAQYKKAI-UHFFFAOYSA-N 296.395 3.868 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 107098129 PJKWOMXKGYBADH-LSDHHAIUSA-N 275.779 3.644 30 20 CHED N#Cc1cc(F)c(NCCc2cccs2)c(F)c1 111142223 WHWZHLOFDSIRLR-UHFFFAOYSA-N 264.300 3.553 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(F)c(C#N)c2)C1 344380507 PKQSCTAJMQCOIT-INIZCTEOSA-N 260.356 3.709 30 20 CHED COCc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1F 174068736 XKVJXAZMYWZHMD-CYBMUJFWSA-N 298.361 3.695 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)c1)c1cccc(F)c1 56278603 MODMCOIJBBQEQK-LLVKDONJSA-N 269.275 3.615 30 20 CHED C=CCCCC(=O)NC1CCC(N2CCC(C)CC2)CC1 179260790 DXBYSOFVLLPTDU-UHFFFAOYSA-N 292.467 3.502 30 20 CHED N#CCCCCNC(=O)N1CCC[C@H]1CC1CCCCC1 170885187 VOVLJVNTKYKVDX-INIZCTEOSA-N 291.439 3.825 30 20 CHED C#Cc1cccc(NC(=O)c2ncoc2-c2ccccc2)c1 112002877 MTWHHZMFEVFXPL-UHFFFAOYSA-N 288.306 3.575 30 20 CHED N#Cc1ccc(O)c(NC(=O)/C=C/Sc2ccccc2)c1 179734450 ANWYQAGTBDFUTC-CMDGGOBGSA-N 296.351 3.508 30 20 CHED C=CCN(Cc1cc(Cl)c2c(c1)OCCCO2)C1CC1 357527270 IFMPDXIAQZCBCH-UHFFFAOYSA-N 293.794 3.652 30 20 CHED CCCN(CCCCC#N)CCc1cccc(F)c1 113266637 BGMLTFWTJKBUFO-UHFFFAOYSA-N 262.372 3.774 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1Cl 116933818 ZJUYJZMPKBFKRI-GHMZBOCLSA-N 266.772 3.665 30 20 CHED CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 69203048 IBKPXABJHSDOJT-UHFFFAOYSA-N 295.342 3.882 30 20 CHED CC(C)(C)c1ccccc1OCCNCc1ccc(C#N)o1 174372445 HROHNUDHELRTCA-UHFFFAOYSA-N 298.386 3.617 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2nc(S)oc2c1 179770714 PTADSSWRWLBAJD-SNVBAGLBSA-N 290.388 3.591 30 20 CHED C[C@@H](OC(=O)c1ccncc1Cl)c1ccc(C#N)cc1 175804979 XVFFSRBSZSWVJQ-SNVBAGLBSA-N 286.718 3.525 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccnc1Cl 112904810 UUWWHEKEGVMZLL-UHFFFAOYSA-N 293.798 3.527 30 20 CHED CC[C@@H](C)[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 171319240 SFFMOBSPVIGUNB-KGLIPLIRSA-N 299.418 3.667 30 20 CHED CC1(C)CCC[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C1 434013871 DEFJWHMWAZDNTA-UONOGXRCSA-N 276.424 3.744 30 20 CHED CC[C@](C)(C#N)NC(=O)C(c1ccccc1)c1ccccc1 125843466 VTVYJQRYCFECDX-LJQANCHMSA-N 292.382 3.627 30 20 CHED C[C@H]1C/C(=C/c2ccc(F)nc2)C(=O)c2ccccc21 186421660 ZJOLHRVLZARJAN-KWJWQAOWSA-N 267.303 3.994 30 20 CHED CC[C@@H](C)N/C(N)=N/CC1(c2cccs2)CCCCC1 304291363 LZNYDWMAWRORPJ-CYBMUJFWSA-N 293.480 3.653 30 20 CHED CSc1ccc(Nc2c(C#N)cccc2C#N)cc1 302849196 PDKYONRKVODIBD-UHFFFAOYSA-N 265.341 3.895 30 20 CHED C=C(Br)CN[C@@H](Cc1ccccc1)C1CC1 125013031 ISVKLVQIWLLCLF-AWEZNQCLSA-N 280.209 3.506 30 20 CHED CC[C@@H](C#N)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 187025581 OQFBZYXVCSTHSV-ZFWWWQNUSA-N 271.408 3.761 30 20 CHED COc1cccc(/C=C2/CCc3cc(OC)ccc3C2=O)c1 33681017 MXBIECKUJRNWNF-GDNBJRDFSA-N 294.350 3.916 30 20 CHED N#CC1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 123737194 PZLQTJROFAPWNJ-UHFFFAOYSA-N 286.272 3.580 30 20 CHED COCCC1(CNCc2cccc(C#N)c2)CCCCC1 185228813 IGZSWCCSUHXUME-UHFFFAOYSA-N 286.419 3.635 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)N(CC#N)c1ccccc1 78091333 IVCSYJIUKJNRTB-AWEZNQCLSA-N 296.345 3.561 30 20 CHED C=CCC[C@H](NC[C@@H](OC)c1ccccc1)C1CC1 120402975 DRDXKRVKLRTTED-DLBZAZTESA-N 259.393 3.709 30 20 CHED C#CCCCCC(=O)Nc1cc(-c2ccccc2C)nn1C 120235401 JVXNWAPMFHLUDY-UHFFFAOYSA-N 295.386 3.528 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(OC)cc2)c1 211978292 JYZPHVHXKWKQKZ-GHXNOFRVSA-N 282.339 3.990 30 20 CHED C[C@@H]1[C@@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C1(F)F 410931417 UJKIPQTZYHBWPO-XCBNKYQSSA-N 298.358 3.757 30 20 CHED CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 358653060 QDCASVRAFZDGTG-CQSZACIVSA-N 271.364 3.601 30 20 CHED N#CCN(C(=O)CCc1ccc(Cl)cc1)C1CCCC1 125368238 ARMODMKEJHNSGY-UHFFFAOYSA-N 290.794 3.567 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCCc2nc(CC)sc21 180954788 RNCGELYSZPRCQY-GHMZBOCLSA-N 250.411 3.637 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1SCCc2sccc21 182581736 LSENCPSIPBBURT-BXUZGUMPSA-N 295.473 3.940 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1sc(CC)cc1C#N 74721853 KASVTNLTPFGRGD-BXKDBHETSA-N 262.378 3.557 30 20 CHED C=C(C)CN(C)Cc1coc(-c2ccc(OCC)cc2)n1 181334455 HMMJFCFHKAJHNC-UHFFFAOYSA-N 286.375 3.748 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2coc(-c3cccs3)n2)C1 185799583 GTPCTDUXOHRULM-NEPJUHHUSA-N 287.388 3.575 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1CCCC[C@H]1C 219894164 IEMMUAHFIYUHGC-HIFRSBDPSA-N 273.376 3.560 30 20 CHED CCC(CC)[C@H](CN[C@H]1CCC[C@H](C#N)C1)N1CCCC1 185772939 UATVPZJNTFBYPL-SZMVWBNQSA-N 291.483 3.559 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2coc(-c3ccccc3)n2)C1 185844035 MQEANFGYAIWJIR-UKRRQHHQSA-N 281.359 3.514 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1CCC[C@@H]1C 189908732 QERIACOYFYTAEK-UONOGXRCSA-N 264.413 3.744 30 20 CHED CC[C@@H](c1ccc(Br)cc1)N(CC)CC#N 411216543 UHFXPAMVBGIMCZ-ZDUSSCGKSA-N 281.197 3.746 30 20 CHED CCC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412189072 XCFXWMWKBSGCSG-JCGIZDLHSA-N 296.414 3.700 30 20 CHED Cc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)CCC2 414159180 AZDFUXVRLGJGFB-MRXNPFEDSA-N 256.393 3.902 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2ccc(Cl)s2)C1 185783503 XCKIPCHPDDSIOQ-MNOVXSKESA-N 268.813 3.616 30 20 CHED N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CC1)c1ccccn1 41481614 JBZIOSZKAYXKDD-AWEZNQCLSA-N 296.757 3.643 30 20 CHED C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)[C@@H]1C 416684667 AEGGCHHGNFWSIS-KCYZZUKISA-N 299.418 3.717 30 20 CHED O=C(NCC#Cc1ccccc1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 506140349 APFRSTSQTRXIBP-GBESFXJTSA-N 295.426 3.761 30 20 CHED C=CCC[C@H](CC)Nc1ccc(OC2COC2)cc1 188641625 OXYAQQSNHQYVJH-ZDUSSCGKSA-N 261.365 3.621 30 20 CHED C=CC(C)(C)C(=O)N1CCCN(C)c2ccc(Cl)cc21 410526818 IUAKUNCADXOHRB-UHFFFAOYSA-N 292.810 3.725 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]1c1ccccc1F)CC2 414160152 CQACDOGPFRNEHJ-YTQUADARSA-N 292.357 3.830 30 20 CHED C#CCCCC(=O)N(C)[C@@H](c1ccccc1)C(C)C 192309034 JUEVVRFFDSXGON-QGZVFWFLSA-N 257.377 3.646 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1ccc(Cl)cc1 136960396 NTYMPAGBNVOVOC-SMDDNHRTSA-N 250.773 3.553 30 20 CHED CC(C)(C)N(CCC#N)Cc1ccc(Br)cc1 610775071 CUSFAIAOQXVJEX-UHFFFAOYSA-N 295.224 3.963 30 20 CHED C[C@@H](Cc1ccsc1)N(C)Cc1cccc(C#N)c1 176443469 CEQUFPRDYRRAHA-ZDUSSCGKSA-N 270.401 3.683 30 20 CHED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1cncs1 130101096 JTQFGUJZCIIAKC-SOBCLFBASA-N 279.411 3.965 30 20 CHED N#CCCN(CCCC1CCCC1)Cc1ccccn1 88535227 GRXIQAZHUUSOEA-UHFFFAOYSA-N 271.408 3.768 30 20 CHED Cc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2o1 41545862 LUJBIGBAWINOSL-ZDUSSCGKSA-N 276.295 3.626 30 20 CHED C#CCN(Cc1cccs1)[C@H]1CCc2ccccc21 195672712 IKDUVESNCBUCKK-KRWDZBQOSA-N 267.397 3.871 30 20 CHED Cc1cc(N2Cc3ccccc3C(C)(C)C2)c(C#N)cn1 425249140 SSUMEVLBMXSPBD-UHFFFAOYSA-N 277.371 3.560 30 20 CHED C[C@H](NCc1ccc2ncccc2c1)c1ccc(C#N)cc1 192940636 WDBBTCUTNNYYFA-AWEZNQCLSA-N 287.366 3.957 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCCC(C)(C)C1 510389779 PICQIAKGQMKBRL-AWEZNQCLSA-N 270.376 3.565 30 20 CHED C=CCN(Cc1cccs1)Cc1nccn1C(C)C 195513998 RZNXTUQNJLELNS-UHFFFAOYSA-N 275.421 3.714 30 20 CHED N#Cc1ccccc1CN1CCC[C@@H]1c1ccc(O)cc1 138913335 QQTUMPXZGSZHML-GOSISDBHSA-N 278.355 3.601 30 20 CHED CC[C@H](c1ccc(F)cc1F)N(CC)CCC#N 81040655 KETNAHWPGADZGU-CQSZACIVSA-N 252.308 3.651 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2ccc3ccoc3c2)CCO1 329849075 RTXIWZGCOJKDJI-PWSUYJOCSA-N 259.305 3.836 30 20 CHED Cc1ccccc1C1(C(=O)N[C@@H](C)CC#N)CCCCC1 194622074 XIKUJRJJRPTQPY-HNNXBMFYSA-N 284.403 3.615 30 20 CHED N#Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1F 511172703 PCJGEMTXBXTBQG-UHFFFAOYSA-N 294.329 3.680 30 20 CHED CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 335003918 DROZMNNZYSQZGB-IAGOWNOFSA-N 296.414 3.528 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)[C@H](C)C#N)c2)o1 335728177 LHSRWLNFUJYMPS-LLVKDONJSA-N 268.316 3.662 30 20 CHED C=C1CCC(C(=O)NC2CCC(CSC)CC2)CC1 1353424430 AKWIHNCNBBTMTO-UHFFFAOYSA-N 281.465 3.771 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@H](CC(F)(F)F)C2)n1 420635451 URRXFORUAHEOBQ-GFCCVEGCSA-N 297.324 3.739 30 20 CHED CC(C)c1occc1/C(O)=N/C[C@@H](O)C1CCCCC1 331070687 CRCXYFPPKXWDLE-CQSZACIVSA-N 279.380 3.649 30 20 CHED N#CC1(N(C(=O)c2ccc(Cl)c(F)c2)C2CC2)CCC1 336067739 LWUYTPIXOBOZSN-UHFFFAOYSA-N 292.741 3.530 30 20 CHED COc1cc(C)nc(CSc2cccc(C#N)c2)c1 339739589 CCAYTFXBJVKPLC-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CCOCc1cccc(Nc2ncc(C#N)cc2Cl)c1 513640904 UEXGDLJSRHJPSR-UHFFFAOYSA-N 287.750 3.887 30 20 CHED C=CCCCCS(=O)(=O)Cc1c(F)cccc1Cl 517891603 VNUXSVYHPDQQCP-UHFFFAOYSA-N 290.787 3.750 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1 336317419 QXRHEYYESVBOME-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1cc([N+](=O)[O-])c(C)cc1N/C(O)=N/[C@@H]1CC[C@H](C)C1 331046362 GDGGZYNPBBCOQT-JOYOIKCWSA-N 291.351 3.726 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1c(C#N)cccc1C#N 436308036 BFJXXHYLEBRLBJ-KRWDZBQOSA-N 273.339 3.838 30 20 CHED OC(=Nc1cccc(-c2ncco2)c1)N1CC[C@@H]2CCC[C@@H]21 330247170 FLKOLOOWIHALMI-WFASDCNBSA-N 297.358 3.762 30 20 CHED CC[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 437419136 PCVDOTMIPPBQPF-LBPRGKRZSA-N 294.345 3.782 30 20 CHED Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)cnc1N1CCCC[C@H]1C 332389686 LIVQIUAVHYMGKI-BZUAXINKSA-N 298.434 3.873 30 20 CHED CC1CCC(CC(=O)Nc2ccc(F)cc2C#N)CC1 433967035 JZHCGSBEXNFMAK-UHFFFAOYSA-N 274.339 3.852 30 20 CHED CC(C)C1CCC(N(C)C(=O)N[C@H]2CCC[C@H]2C#N)CC1 433417501 LVNBIAMPDZVIAF-GRAKBVBRSA-N 291.439 3.535 30 20 CHED CN(CCC#N)c1ccc(CN2CCC[C@H]3CCC[C@@H]32)cc1 92485711 OGXSAOQNGKWLQF-MJGOQNOKSA-N 297.446 3.801 30 20 CHED C=CCCC(=O)Nc1cccc(OC2CCCC2)c1 523223279 UGTSDNSHVPKIGH-UHFFFAOYSA-N 259.349 3.913 30 20 CHED C=CCCN(C)C(=O)c1ccc(Oc2ccccc2)nc1 342012049 OGZMPQYZYLXVDI-UHFFFAOYSA-N 282.343 3.522 30 20 CHED CC[C@@]1(C)CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 435093221 CGQDCOBRJQBEID-SFHVURJKSA-N 296.414 3.629 30 20 CHED C=CCCCSCC(=O)NC1(c2ccccc2)CCC1 437270720 SDPXFLHRHSBWNQ-UHFFFAOYSA-N 289.444 3.881 30 20 CHED CCc1nc([C@H](C)NCc2cccc(C#N)c2F)cs1 348316847 IVFXPNZLKCPAHZ-JTQLQIEISA-N 289.379 3.567 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(Oc2ccncc2)c1 341991403 MKPCQRJDVPEAIH-UHFFFAOYSA-N 297.358 3.914 30 20 CHED C=CCC(C)(C)c1noc(-c2sc(COC)nc2C)n1 340831097 SSAQXNCHZQFVSI-UHFFFAOYSA-N 293.392 3.502 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(C1CC1)C1(C#N)CCC1 341578536 BJZLXLWBAXSNCS-ZDUSSCGKSA-N 274.408 3.640 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)Cc1ccc(Cl)cc1 346244561 RHRDOVAWVWGCSH-CYBMUJFWSA-N 295.810 3.670 30 20 CHED C=CCCCC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 438352779 COTXQASSNJLQNO-VXGBXAGGSA-N 277.330 3.828 30 20 CHED C=CCCOCC(=O)N(c1ccc(F)cc1Cl)C(C)C 605270758 XYYYCDLFRASUQM-UHFFFAOYSA-N 299.773 3.813 30 20 CHED N#Cc1cccc(CN2CCS[C@@H](c3ccccc3)C2)c1 609800979 ZEOCIMHYOSOKAF-GOSISDBHSA-N 294.423 3.848 30 20 CHED CC(C)Cc1ccc(/C=C\C(=O)c2cnccn2)cc1 255035031 UZWPZNWUAJTTKO-FPLPWBNLSA-N 266.344 3.571 30 20 CHED COc1ccccc1[C@H](NC[C@@H](C)CCC#N)c1ccco1 602591238 XRILYLFVPPAGCV-KSSFIOAISA-N 298.386 3.907 30 20 CHED COc1cccc(CN(C)c2ccc(Cl)cc2C#N)c1 52859643 DPVDZHNPVUBAFW-UHFFFAOYSA-N 286.762 3.857 30 20 CHED C=CCC(C)(C)CN[C@H](c1ccccc1)c1cncnc1 340425932 AZVCKGZAWDUCNV-QGZVFWFLSA-N 281.403 3.758 30 20 CHED C=CCCC(=O)NCc1ccc(-c2ccco2)cc1F 344450842 BCHYZZGCNMUKRG-UHFFFAOYSA-N 273.307 3.668 30 20 CHED Cc1cocc1C(=O)Nc1sc2c(c1C#N)CCCC2 602223996 CPPSUVPYNFEXFX-UHFFFAOYSA-N 286.356 3.652 30 20 CHED CN(CC#Cc1ccc(F)cc1)CCCOc1ccccc1 448456183 HRIXXYSUQRPVGB-UHFFFAOYSA-N 297.373 3.578 30 20 CHED C=C(CC)CNCc1ccccc1OCc1ccccn1 449736661 XBMGJLCCLLHYEB-UHFFFAOYSA-N 282.387 3.716 30 20 CHED CCC(C#N)(CC)C(=O)N1CCCc2c(F)ccc(F)c21 602283390 NCMKRNNJNQAEJM-UHFFFAOYSA-N 292.329 3.574 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(-c2ccncc2)cc1 358358402 SDBWQZZYZCTDSU-INIZCTEOSA-N 296.414 3.992 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc(O)c(F)c1 255561606 FMQYVDAKWZNOAF-ALCCZGGFSA-N 296.297 3.746 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(C(C)C)c(Cl)c1 530322722 QYXXPNORRCMZGU-LBPRGKRZSA-N 278.783 3.885 30 20 CHED C=C(C)CCN[C@@H](C)c1nc2c(s1)CCCC2 351815782 NUDAZPXMOZCZCH-NSHDSACASA-N 250.411 3.639 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)[C@@H]1CCCOC1 356851004 QPQJUDSDKBCQAR-LSDHHAIUSA-N 288.391 3.596 30 20 CHED N#CCCCCCc1nc([C@H]2CCC(F)(F)C2)no1 350331274 KDEVPHUCPKTCIX-JTQLQIEISA-N 269.295 3.599 30 20 CHED C=C(C)CN1CCCC[C@H]1c1nc2ccccc2n1C 533524829 YSOJIKVQQXIGGQ-INIZCTEOSA-N 269.392 3.676 30 20 CHED CCCCOc1cccc(NC(=O)C2(C#N)CC(C)C2)c1 531810535 NOLPBWVCFGYNQS-UHFFFAOYSA-N 286.375 3.744 30 20 CHED C=C(C)[C@H](CC(=O)NCCCCC(C)(C)C)OCC 535910508 NYJYZXNUHHBHBD-AWEZNQCLSA-N 269.429 3.690 30 20 CHED C=C(C)CN(CC)C(=O)c1cn(C)nc1C1CCCCC1 263775800 NQEWBPSSBHHBSA-UHFFFAOYSA-N 289.423 3.506 30 20 CHED C=C1CCN(C(=O)c2nc(C)sc2-c2ccccc2)CC1 352387317 SYGXVYSQIOQRQI-UHFFFAOYSA-N 298.411 3.911 30 20 CHED CCCOc1c(CNCC(C)(C)C#N)cccc1OCC 612585113 OJOUGMWBKJIGFA-UHFFFAOYSA-N 290.407 3.513 30 20 CHED C=CCC[C@@H](NCc1ccc(F)cn1)c1ccco1 353406171 PXDJFTTWZZCHFJ-CQSZACIVSA-N 260.312 3.611 30 20 CHED Cc1cccc2cc(C(=O)N[C@](C)(C#N)CC(C)C)oc12 535324137 CVUIGGXEJBLOCO-KRWDZBQOSA-N 284.359 3.799 30 20 CHED C=CCC[C@H](NC(=O)Cc1cscn1)c1ccccc1 612709079 VTPGBFLFHDDOBZ-HNNXBMFYSA-N 286.400 3.509 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2oc(C(C)C)nc2C)C1 617778764 NVWHYTUDABASOS-ZDUSSCGKSA-N 276.380 3.535 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC=C(C(C)(C)C)CC1)OCC 535463433 JHQVYEXPKBVHBC-OAHLLOKOSA-N 279.424 3.563 30 20 CHED CCOc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1 444720003 BIUGLBSVKPKTJD-MRXNPFEDSA-N 272.392 3.599 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccnc(Oc3ccccc3)c2)C1 619671991 GYGNLEHGBUOFIN-GDBMZVCRSA-N 293.370 3.656 30 20 CHED C=C1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 264139159 HIAHCARSLMQTDW-UHFFFAOYSA-N 274.751 3.614 30 20 CHED C=CCOc1ccc(CNC(C)(C)C2CC2)cc1OC 535734748 FMBIKWCKBZKOKC-UHFFFAOYSA-N 275.392 3.538 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 455304059 BQBITDZMANPDSF-BBRMVZONSA-N 290.382 3.884 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCCC#N 360004368 WZRZPPUPPDWALJ-LBPRGKRZSA-N 270.332 3.646 30 20 CHED CC#CCCNC(=O)N[C@@H](CCC)c1ccc(F)cc1F 361528498 WDHODDWTDXWYME-HNNXBMFYSA-N 294.345 3.519 30 20 CHED C=CCN(C(=O)c1cc2c(s1)CC[C@H](C)C2)C1CC1 537932980 GMLGCLVLRXEULY-NSHDSACASA-N 275.417 3.664 30 20 CHED CC#CCN(C)C(=O)Nc1c(CC)ccc(Cl)c1CC 454220451 DQLYYHVPJZLDCY-UHFFFAOYSA-N 292.810 3.952 30 20 CHED C=CCC[C@H](NCc1ccc(C#N)c(F)c1)C1CC1 453382903 LXFNMPMVOCZVLB-INIZCTEOSA-N 258.340 3.532 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2cc(C)cc(F)c2)no1)OCC 546326271 CXOHVGGLMGUFIT-CQSZACIVSA-N 290.338 3.708 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2oc(SC)cc2C)C1 617778897 QJALYNIVJGXUKJ-GFCCVEGCSA-N 279.405 3.738 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 279674192 GDRJZSLGOBRAEN-VCBZYWHSSA-N 294.398 3.985 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1ccc[nH]1 274809188 UJIREEUBHFMQFN-MRXNPFEDSA-N 285.778 3.877 30 20 CHED C=CCN(CCCc1ccncc1)Cc1ccccc1F 541586283 ROGZJNWGZAPOHR-UHFFFAOYSA-N 284.378 3.842 30 20 CHED C=CCC1(C(=O)N[C@H]2c3ccccc3O[C@H]2C)CCCC1 451802707 NIAHEVJSLOPUPB-XJKSGUPXSA-N 285.387 3.761 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(OC(F)F)cc1 278302895 IDYUNMPRTAPOEJ-SNVBAGLBSA-N 297.301 3.832 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)c2cc(C)oc2C)c1 456002527 MUSRPSHTFISHIV-LBPRGKRZSA-N 297.358 3.959 30 20 CHED C=C(CNC(=O)C[C@H](OCC)C1=CCCC1)c1ccccc1 360207302 GGMNSVGSEYMIES-SFHVURJKSA-N 299.414 3.722 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1ccc(F)cc1Cl 540534828 RPRJXBAGFIDFDD-LLVKDONJSA-N 299.773 3.719 30 20 CHED C=CCN(C(=O)Nc1c(C)cccc1CC)C1CC1 271336684 GKSQBKLWJPFVBC-UHFFFAOYSA-N 258.365 3.740 30 20 CHED Cc1ccccc1C(C)(C)C(=O)Nc1cccc(CC#N)c1 456736001 QZSISSCODZKOOT-UHFFFAOYSA-N 292.382 3.977 30 20 CHED C=CCN(Cc1cc(F)cc(C(F)(F)F)c1)C1CC1 543621431 OTDREODONOWUPG-UHFFFAOYSA-N 273.273 3.995 30 20 CHED CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1 545458532 XXGXPXBSJUIPTI-GWCFXTLKSA-N 270.298 3.940 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccccc1C)C1CC1 458997327 JFFMSOZHTYBDJM-UHFFFAOYSA-N 272.392 3.635 30 20 CHED C[C@H](CCC1CC1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 456063216 JFCXKYFQPVNIOM-CQSZACIVSA-N 298.430 3.822 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 540702312 RLKCJLBYCASCSJ-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED CCCC[C@H](CCC)NC(=O)[C@]1(C#N)CC12CCCC2 450105017 MUGFCOISJGMFAF-WMLDXEAASA-N 276.424 3.936 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@@H]1c1cccc(OCC)c1 540532649 MLLATYFAHGERJM-MSOLQXFVSA-N 299.414 3.826 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](CC1CCC1)c1ccccc1 278670410 FZJNFKMIGFSUCK-MRXNPFEDSA-N 284.403 3.974 30 20 CHED C=CCCC(C)(C)NC(=O)CSc1ccc(F)cc1 620864082 PODZEZGFFNVQLQ-UHFFFAOYSA-N 281.396 3.779 30 20 CHED C#CCCCNc1ccccc1NC(=O)C[C@@H]1C=CCC1 270956372 WQXBWIWRYIAZAZ-OAHLLOKOSA-N 282.387 3.807 30 20 CHED C=CCN(C(=O)C1(Cc2ccc(Cl)cc2)CC1)C1CC1 542521028 KQGQQPSJSGDFGI-UHFFFAOYSA-N 289.806 3.840 30 20 CHED C=CCC[C@@H](NCCOc1ccc(F)cc1)C1CC1 540119094 GNYMHAGWOGHPAJ-MRXNPFEDSA-N 263.356 3.539 30 20 CHED C=CCCCCNC(=O)[C@@H]1CCCc2sccc21 372112056 BRTFYUHARSKLQV-CYBMUJFWSA-N 263.406 3.641 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CC(C)(C)C#N 278949880 HBHPCMNKSVWSLP-BDJLRTHQSA-N 288.366 3.505 30 20 CHED C=C[C@H](C)NC(=O)CCc1ccc(-c2ccccc2)o1 465106765 HBVNQEXRBPNEFT-ZDUSSCGKSA-N 269.344 3.570 30 20 CHED CCC[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 544674968 QYMLZSOIVACBPZ-PBHICJAKSA-N 299.418 3.983 30 20 CHED CC1(C)CN(C(=O)c2cccc(C#N)c2)[C@@H]1c1cccs1 288352067 LZFOWHLUHISKLB-OAHLLOKOSA-N 296.395 3.843 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)CCCC 460653949 BKYFFMBDQJACCT-KGLIPLIRSA-N 254.418 3.951 30 20 CHED Cc1nnc(S[C@@H](C)c2ccc(F)cc2)c(C#N)c1C 557557977 GESWZPSYOCICMB-NSHDSACASA-N 287.363 3.958 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCCCC12CCCC2 463541431 GOHXKXUALGBCEZ-CQSZACIVSA-N 264.413 3.707 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 285583912 VIWMIUWHEQAAQC-YVEFUNNKSA-N 288.391 3.914 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc(CC(C)(C)C)cs1 552427818 UIIDTAJVQJHZOT-AWEZNQCLSA-N 279.409 3.610 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H]1CC 460562432 SNDQABWQKTUXBI-INIZCTEOSA-N 296.418 3.900 30 20 CHED C=C[C@H](C)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 465115894 QBLJDZZHZZQBLG-QWRGUYRKSA-N 285.309 3.890 30 20 CHED C[C@](C#N)(NC(=O)[C@H]1CC12CCCCC2)C1CCCCC1 550742875 DJLFOMHDIGEHJR-NVXWUHKLSA-N 288.435 3.936 30 20 CHED CC(/C=C\c1ccc(C#N)cn1)=C/c1cccc([N+](=O)[O-])c1 468944217 KKXMKMAOUVMCRC-YYKSKGJFSA-N 291.310 3.978 30 20 CHED N#Cc1ccc(CN2CCC(CC(F)(F)F)CC2)s1 556619821 XQFSJOMWMSQWTE-UHFFFAOYSA-N 288.338 3.784 30 20 CHED C=C[C@H](CC(=O)N1CC(c2ccccc2)C1)c1ccccc1 633809509 MUKSEWPOOYBKGJ-MRXNPFEDSA-N 291.394 3.972 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1ccccc1C(F)(F)F 285301309 DDMBRSDBUQTKSV-CQSZACIVSA-N 298.308 3.604 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H]1CCOC(C)(C)C1 634684842 ARVMAKOTRFCEDW-DLBZAZTESA-N 273.420 3.721 30 20 CHED C=CCCCC[C@H](C)NCc1cn2cc(C)ccc2n1 551237384 PKJSIYUQHFCKGE-HNNXBMFYSA-N 271.408 3.867 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 467009108 JKAKJDHZWQOJRC-LLVKDONJSA-N 295.452 3.719 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)[C@]1(C#N)C[C@@H]1C 460005192 BWWXAHANTPYVOL-BONVTDFDSA-N 292.766 3.617 30 20 CHED N#Cc1cccc(NC(=O)NC[C@@H]2CCCC(F)(F)C2)c1 282880719 PSYZOILKYZFCKQ-GFCCVEGCSA-N 293.317 3.505 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(C3CC3)no2)c1 281645886 JJLGTFHBNKSLMI-UHFFFAOYSA-N 298.342 3.759 30 20 CHED N#Cc1ccccc1OCCSc1cccc(F)c1C#N 559629860 IAJAZSPKDOQSAX-UHFFFAOYSA-N 298.342 3.740 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 285381927 IWUIQMPQVBWMTR-PWSUYJOCSA-N 276.767 3.520 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cnc(C)s2)CCCC1 634039784 MKQLBCZMSSWSDX-LLVKDONJSA-N 278.421 3.765 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cc(C)cc(C)n1 800857321 OEPGTXPFNATKHU-UHFFFAOYSA-N 298.361 3.666 30 20 CHED C=C(CNC(=O)/C=C/c1ccccc1F)c1ccccc1 805250502 FLDLLJNLRLVTMZ-VAWYXSNFSA-N 281.330 3.669 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(C)c1)C(C)(C)C 808316102 FKJYRHNUHVGTIG-SJORKVTESA-N 298.430 3.889 30 20 CHED C=CCCCCCCNC(=O)c1nnc(C(C)C)s1 805221812 VGDHMOARTJBYEV-UHFFFAOYSA-N 281.425 3.528 30 20 CHED N#CCCCCCC(=O)OCC(=O)c1cc2ccccc2o1 805697961 LYIMEJCCWBPIEP-UHFFFAOYSA-N 299.326 3.633 30 20 CHED C#C[C@@H](NC(=O)N1CCC=C(c2ccccc2)C1)C(C)(C)C 808317435 SCCMLOJMEGAMIF-QGZVFWFLSA-N 296.414 3.533 30 20 CHED C=CCC[C@@H](O)CN(CCC(C)C)C1CCCC1 472774481 XZXWAROLJNDABF-MRXNPFEDSA-N 253.430 3.604 30 20 CHED C#C[C@H](NC(=O)N[C@@H](C)c1cc2ccccc2o1)C(C)(C)C 808294011 MORJUROCMJARKL-LRDDRELGSA-N 298.386 3.841 30 20 CHED N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1 802892062 YVQTVLJFLIFXFH-RRFJBIMHSA-N 298.386 3.809 30 20 CHED C=CCCCCNC(=O)c1cc2ccc(F)cc2nc1C 471673404 GNCUYHQCSXLPBL-UHFFFAOYSA-N 286.350 3.768 30 20 CHED C[C@@H](Cc1cccc(F)c1)NCC(C)(C)CCC#N 806176239 KDZVNCNRQRSLOB-ZDUSSCGKSA-N 262.372 3.676 30 20 CHED C=C(CNC(=O)/C=C1\CC[C@@H](C)C1)c1ccccc1 807798159 PMVYEXHJAHTVOQ-WDGDVPDHSA-N 255.361 3.562 30 20 CHED C=CCC(C)(C)CN[C@@H](C)[C@@H](OC)c1ccccc1 563825598 CRRLLLGGFZGGNX-GOEBONIOSA-N 261.409 3.955 30 20 CHED C(=NNc1nccnc1C1CCC1)c1csc(C2CC2)n1 807994558 UYMCGZRNBYECFK-UHFFFAOYSA-N 299.403 3.524 30 20 CHED CCc1c(C(=O)/C=C\c2cnccn2)oc2ccc(C)cc12 809152009 AOLBBOWZMYDVDK-WAYWQWQTSA-N 292.338 3.990 30 20 CHED C=CCC1(CN[C@H](C)c2cncnc2C)CCCC1 569825611 SZNDFQHODSWWRT-CYBMUJFWSA-N 259.397 3.572 30 20 CHED N#CCCNC1(c2cccc(C(F)(F)F)c2)CCC1 298890178 LDQVUUZGDUZTLI-UHFFFAOYSA-N 268.282 3.588 30 20 CHED C[C@@H](C#N)OCCN1CCc2c(-c3ccccc3)cccc21 801941145 IQTWMTKSSAYXNE-HNNXBMFYSA-N 292.382 3.645 30 20 CHED C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)Oc1ccccc1 567970984 QVMUPEZDKAFENT-AUUYWEPGSA-N 292.382 3.603 30 20 CHED C=CCC[C@@H](N[C@@H](CO)Cc1ccccc1C)c1ccco1 560549080 LYWPFJYIYKBAJE-QZTJIDSGSA-N 299.414 3.789 30 20 CHED C[C@@H](C=NNc1ncccc1[N+](=O)[O-])C1CCCCC1 814870464 CWZSBOFIKAJLEQ-NSHDSACASA-N 276.340 3.604 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ncc(C(C)C)s1 489089647 RLILHIUYGGGDLU-LLVKDONJSA-N 279.409 3.839 30 20 CHED CN(Cc1c(F)cccc1F)c1nc(Cl)c(C#N)s1 814928714 IOFKMNKOQNEFLF-UHFFFAOYSA-N 299.733 3.583 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N1CCC(CCC#N)CC1 565018523 IPFCMOPYJUSSDZ-UHFFFAOYSA-N 288.391 3.867 30 20 CHED C#C[C@@H](CC)NC1CCC(O)(c2ccc(C(C)C)cc2)CC1 816608386 YDSKZGVHVKDNGP-HDYDNRTBSA-N 299.458 3.942 30 20 CHED CCc1nocc1C=NNc1cccc2ccccc12 814822842 GOTMNAHAGNPGAI-UHFFFAOYSA-N 265.316 3.836 30 20 CHED C=C[C@@H]1CCCCN1c1ncnc2sc(CC)cc12 486489865 UREVPGCYLNUQFI-LLVKDONJSA-N 273.405 3.799 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(F)cc2O)cc1 814983837 GELHQOZYNCMZAW-UHFFFAOYSA-N 288.322 3.766 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc(C(C)C)nc1C 815196756 AQXJWTFCTGQCQU-AWEZNQCLSA-N 291.391 3.538 30 20 CHED C/C(C=NOC1CCC1)=C/c1cccc([N+](=O)[O-])c1 812235402 FZDDFKCASFPIMK-AKGWTVDPSA-N 260.293 3.553 30 20 CHED COc1cc(Cl)ccc1OC(=O)CCCCCC#N 817482473 FIAKWTIRSQDIFV-UHFFFAOYSA-N 281.739 3.728 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1c(F)cccc1Cl 488869453 QGQIUKWKIJTMGL-NSHDSACASA-N 281.758 3.589 30 20 CHED Cl/C=C/CON=Cc1cccc(Br)c1 811668624 QTOGJCJKMQQVLK-VHDODGMTSA-N 274.545 3.552 30 20 CHED C=C(C)COC(=O)c1nc2ccccc2cc1Cl 810538171 XNVDFHJICLQBTF-UHFFFAOYSA-N 261.708 3.621 30 20 CHED CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)OCCCC#N 812645947 GHLGWHZPJFRFBV-CQSZACIVSA-N 295.766 3.590 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccccc1C#N 814813263 LRXYGAAZJTWHFU-UHFFFAOYSA-N 271.270 3.673 30 20 CHED CCO[C@H](CC)C(=O)Nc1cc(C(C)(C)C)sc1C#N 576566589 BYDJBXLPXGRZAO-LLVKDONJSA-N 294.420 3.671 30 20 CHED C=CCC[C@@H](C(=O)Nc1ccc(OC)nc1)c1ccccc1 487634779 NLODMOAKENFITE-MRXNPFEDSA-N 296.370 3.779 30 20 CHED N#C[C@H](C(=O)C[C@H]1C=CCC1)c1cc(C(F)(F)F)ccn1 813211441 KNGAELIKBJVETC-JQWIXIFHSA-N 294.276 3.633 30 20 CHED C=CCCn1cc(CN[C@H]2CCCC[C@H]2C(C)(C)C)nn1 653578523 PRQBWRBCIHFLFX-CVEARBPZSA-N 290.455 3.549 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc2c(c1)CCO2 812242709 ZJTLNJGCJQVAJO-DJWKRKHSSA-N 298.313 3.665 30 20 CHED C=CCOCC(=O)Oc1ccc(Cl)c2ccccc12 729304039 GDOBYGLTMXRQPE-UHFFFAOYSA-N 276.719 3.601 30 20 CHED CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C 576389853 GPUOMQPLUGHYBG-JKSUJKDBSA-N 256.393 3.960 30 20 CHED COc1cccc(NN=C(C)c2ccc(C)s2)c1 725855435 UUOWAAXVCLRIEU-UHFFFAOYSA-N 260.362 3.901 30 20 CHED COCCCC(C)=NNc1cc(Cl)nc(Cl)c1 819828978 XJGBCXDJYPECPS-UHFFFAOYSA-N 276.167 3.603 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H](c2ccc(F)cc2)CC1 481437518 GUGFXULEDSUNBZ-MAUKXSAKSA-N 291.410 3.722 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2csc(C(C)=O)c2)c1 815377935 MBLZXUZPCXIRIP-UHFFFAOYSA-N 297.379 3.599 30 20 CHED C=CCCCCCCCCNC(=O)c1ncc(C)o1 813818487 SEDFXBRUWAOSGV-UHFFFAOYSA-N 264.369 3.630 30 20 CHED COc1cccc(O)c1C=Nc1cc(F)ccc1Cl 727973189 UFHKWMOVODGIKT-UHFFFAOYSA-N 279.698 3.944 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(C(C)=O)ccc1OCC 489410028 YFPBPBHLBXXYNC-QGZVFWFLSA-N 287.403 3.828 30 20 CHED C#C[C@H](NC(=O)Nc1cccc(C(C)C)c1)C(C)C 821513111 KYZCOKOTBYAPTJ-HNNXBMFYSA-N 258.365 3.589 30 20 CHED C=CCSCc1csc(-c2cccc(C(=O)O)c2)n1 825702051 AIVDIIAHFHSXCF-UHFFFAOYSA-N 291.397 3.928 30 20 CHED C#C[C@@H](NC1CCC(OC)CC1)c1ccc(Cl)cc1F 491734383 RVVHQXDVDATTCH-SEEARECTSA-N 295.785 3.701 30 20 CHED C=C[C@@H](C)ON=C1CCC(CNC(=O)OC(C)(C)C)CC1 496152862 RCYGNAUQUJUPGL-PZORYLMUSA-N 296.411 3.648 30 20 CHED Cc1csc(NC(=O)NC2(c3ccccc3)CC2)c1C#N 577289910 UEGYDTSRBCGLPY-UHFFFAOYSA-N 297.383 3.739 30 20 CHED C[C@H]1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)CC1 589342422 QWZCQSFGUMSJDW-NUTKFTJISA-N 254.377 3.714 30 20 CHED C=CCCNC(=O)N(CCC)[C@@H](C)c1ccccc1OC 661572585 SOYAJPBGAHOFRE-AWEZNQCLSA-N 290.407 3.754 30 20 CHED CC(C)N(CCC#N)C(=O)/C=C/c1ccc(Cl)s1 491437863 WTXHUHLAQAFGDH-FNORWQNLSA-N 282.796 3.565 30 20 CHED Cc1csc(CNCc2ccc(N(C)CCC#N)cc2)c1 824750492 LKXJIVUUILBUCY-UHFFFAOYSA-N 299.443 3.696 30 20 CHED N#CCCCCCC(=O)N1CCOc2ccc(Cl)cc21 588933863 HSTREQMKAPFHFK-UHFFFAOYSA-N 292.766 3.539 30 20 CHED CCCc1ccc(OC)c(Oc2cccc(C#N)n2)c1 580983934 BPKMCZDEXHDKHO-UHFFFAOYSA-N 268.316 3.707 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OCC(C)C)cc1 490175315 ZCAVERYOEHJYBO-UHFFFAOYSA-N 275.392 3.760 30 20 CHED CCCCCc1nnc(NC(=O)CCCCCC#N)s1 588274574 RKXBXAKYMVHKMT-UHFFFAOYSA-N 294.424 3.683 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCCC[C@H]1CC(C)C 583900449 FEDCOULTLBIXHO-HNNXBMFYSA-N 288.439 3.747 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H](Cc2ccccc2)C1 588156889 LTTRTBSRBXMJMV-GOSISDBHSA-N 298.430 3.942 30 20 CHED N#CCCCCCC(=O)N1CCC(c2ccccc2)CC1 588148749 MTKVJMGGKGNRRG-UHFFFAOYSA-N 284.403 3.867 30 20 CHED Cc1cccc([C@@H](C)/N=C\c2cccc(O)c2O)c1C 734366160 GQZRHQOUTZXEHW-CCOVPTLTSA-N 269.344 3.895 30 20 CHED N#CC1(CCOc2ccc(N3CCC3=O)cc2)CCCCC1 902583162 VVPVJAPOZFJZTC-UHFFFAOYSA-N 298.386 3.666 30 20 CHED CC(C)(C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 839055843 KXEJZEICGGYWBJ-DZGCQCFKSA-N 271.360 3.590 30 20 CHED O=C(/C=C\c1cccc(Br)c1)c1cncs1 735792515 GEADGCWEAKGRKY-PLNGDYQASA-N 294.173 3.802 30 20 CHED C=C(C)[C@@H](CC(=O)OC[C@@H]1CCCCC1(F)F)OCC 835638904 RFPSNOAWJXOPKC-QWHCGFSZSA-N 290.350 3.726 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2ccccc2)cc1OC 731318549 JVBZEIUPEMWNEL-MDZDMXLPSA-N 282.339 3.908 30 20 CHED C#C[C@H](NC(=O)N1CCCC[C@@H]1c1ccccc1)C(C)C 838598646 VKRROKUSPXIYQT-DLBZAZTESA-N 284.403 3.581 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc2nccc(C)c2c1 839038550 JJCVTJSBXPEKBS-ZDUSSCGKSA-N 267.328 3.502 30 20 CHED N#Cc1nccnc1N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 580695758 ACJFFQWESDONJY-GXTWGEPZSA-N 298.777 3.750 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCCCCCC1 836441582 JPOASRVWNUINMQ-AWEZNQCLSA-N 252.402 3.707 30 20 CHED CC[C@H](NC[C@H]1COc2ccccc21)c1cccc(C#N)c1 902994059 JGIDAUNTUCQIEG-WMZOPIPTSA-N 292.382 3.775 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CCCCC2(F)F)ccc1F 837823620 LPDKDZBEKCPZRW-LBPRGKRZSA-N 297.276 3.566 30 20 CHED C[C@]1(CC(=O)OCc2ccccc2C#N)CC1(Cl)Cl 835119747 UEHWIQRAHVYXDY-ZDUSSCGKSA-N 298.169 3.575 30 20 CHED Cc1ccc(CNN=C2CCC[C@@H]2C(C)(C)C#N)cc1 835009311 UEPIPISWZFSCAV-HNNXBMFYSA-N 269.392 3.791 30 20 CHED C[C@@H]1C[C@H](NN=C2CCCC23CCCCC3)CCO1 834969926 JVWNWCZCVHUDDL-ZIAGYGMSSA-N 264.413 3.634 30 20 CHED N#CC1(CCCCOc2nccc(C(F)(F)F)n2)CCC1 901475838 ASWDRPOVXDNMIA-UHFFFAOYSA-N 299.296 3.738 30 20 CHED C[C@@H](Nc1ccc(NC(=O)O)c(F)c1)c1ccc(C#N)cc1 833524112 ANUNWNCPABIBCX-SNVBAGLBSA-N 299.305 3.960 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2cscc2Cl)cc1 833310017 LMIXXZOHRBPEGS-AATRIKPKSA-N 292.743 3.996 30 20 CHED CCC(Cc1ccccc1)=NNc1nc2ccccc2[nH]1 916657430 FGWNQLBBKTVXMH-UHFFFAOYSA-N 278.359 3.984 30 20 CHED Cc1cccc(C/N=C\c2cc3ccccc3nc2O)c1 912787419 QXGRDAUPTXACTF-UNOMPAQXSA-N 276.339 3.868 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl 836600741 YXUOPTWWQKFEOI-UHFFFAOYSA-N 297.742 3.582 30 20 CHED C[C@@H]1CN(CCCC#N)CCc2ccc(Cl)cc21 593065871 IPXVQVCTGXCAHA-GFCCVEGCSA-N 262.784 3.605 30 20 CHED C#Cc1cccc(NC(=O)NC2C[C@H](C)C[C@@H](C)C2)c1 740433940 AAGUCSOVJWCVCT-CHWSQXEVSA-N 270.376 3.614 30 20 CHED CC(=NNc1ccc(C)cc1)c1nc2ccccc2n1C 744544141 KOJMEELCOILVLC-UHFFFAOYSA-N 278.359 3.718 30 20 CHED C=C[C@H](OC(=O)c1cc(C)n(C(C)C)n1)C(C)(C)C 835390805 GOMDDLLARCLPCW-ZDUSSCGKSA-N 264.369 3.530 30 20 CHED COc1cccc([C@H](C)/N=C\c2ccccc2O)c1 917558564 QOWTVQFSYCGRCV-UEMWTREESA-N 255.317 3.581 30 20 CHED C=C(Br)COC(=O)c1cccc(OCCC)c1 919363270 BINIDBWOKWCQHY-UHFFFAOYSA-N 299.164 3.541 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1CCO[C@@H](c2ccccc2)C1 596220140 WWKBQZOYXLHOBY-NVXWUHKLSA-N 293.370 3.594 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(C2=CCCC2)cc1)C1CC1 598134836 LOSKKFZMNQPQBR-CYBMUJFWSA-N 280.371 3.771 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1CC1(C#N)CC1 595603037 WYWJEQMAMQIYBD-HNNXBMFYSA-N 254.377 3.744 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc(Cl)nc1)C2=O 748998157 OCBXJMUICMOOGY-NTUHNPAUSA-N 269.731 3.866 30 20 CHED CCCc1ccc(CCCC(=O)N(CC)[C@@H](C)C#N)cc1 598351132 WMNTXRGKURYHRR-HNNXBMFYSA-N 286.419 3.722 30 20 CHED CC(=NN=C(Cc1ccc(C)cc1)C1CC1)c1cnccn1 745201785 LPCBFXLOHSJGCQ-UHFFFAOYSA-N 292.386 3.603 30 20 CHED Cc1ccccc1-c1csc(=O)n1CC1(CC#N)CC1 596259507 UJPAKFQBYXTFTG-UHFFFAOYSA-N 284.384 3.579 30 20 CHED CC(C)(NCCc1ccc(C#N)cc1)c1cccc(F)c1 595416507 CDAQZKZVGIAGCM-UHFFFAOYSA-N 282.362 3.765 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)oc1C 840719391 IPSOBPQJEFDHBY-SREVYHEPSA-N 284.359 3.880 30 20 CHED Cc1ccc(NN=C2CCC[C@@H]2c2ccc(F)cc2)nn1 741164734 XYKXPGKHJJCTDW-CQSZACIVSA-N 284.338 3.660 30 20 CHED C#CC1CCN(Cc2ccccc2N2CCCCC2)CC1 843428830 OOZHBBRMASTQJM-UHFFFAOYSA-N 282.431 3.522 30 20 CHED CCCC[C@@H](C(=O)NCC1CCC(C#N)CC1)C(C)C 598720016 PIKSLRAWLMVOTO-UYSNPLJNSA-N 278.440 3.895 30 20 CHED CC(C)c1nn(C)cc1-c1ccc([C@@H](C)C#N)cc1 844229069 FIINDYSXWHCNTH-LBPRGKRZSA-N 253.349 3.838 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccsc1Cl 597144392 JQLOYNASXBXTKG-UHFFFAOYSA-N 284.812 3.803 30 20 CHED Fc1cccc(NN=Cc2ccc(OCC(F)F)cc2)c1 741810823 RKNZHOIESFSZKN-UHFFFAOYSA-N 294.276 3.916 30 20 CHED CCOc1ccc(/C=N/[C@H](CC)c2ccncc2)c(O)c1 741466449 RNHNKHCVQRQMEK-PUMYGXPMSA-N 284.359 3.756 30 20 CHED C[C@H]1CCCC1=NNc1cc(CO)ccc1Br 841654653 OQLXGYXTTSGRTF-VIFPVBQESA-N 297.196 3.529 30 20 CHED Cc1nc([C@@H](C)ON=Cc2ccccc2C(F)(F)F)no1 842015266 JSAXIDPLTFHWSH-MRVPVSSYSA-N 299.252 3.509 30 20 CHED CCC(C#N)(CC)c1nc(C(C)(C)c2ccc(C)cn2)no1 599171990 NAVSSLSQVNAVJK-UHFFFAOYSA-N 298.390 3.680 30 20 CHED CC[C@@H](Cc1ccccc1)N(CC)Cc1ccc(C#N)cn1 593961730 LWPAOZXQFOAQTL-IBGZPJMESA-N 293.414 3.796 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H]2CCCC[C@H]2C)c1 920434128 PWBVXOZIRYQVMP-HIFRSBDPSA-N 255.361 3.823 30 20 CHED COc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cc1C#N 595699761 AHVJXTOJYUANCD-QGZVFWFLSA-N 296.345 3.653 30 20 CHED C=CCCC(=O)OCCOc1cc(Cl)cc(Cl)c1 744921912 UGHLVUCIERNMDJ-UHFFFAOYSA-N 289.158 3.882 30 20 CHED CC(C)CCOc1ccc(NCCO[C@H](C)C#N)cc1F 848663183 FIOXLGFCYYIZKD-CYBMUJFWSA-N 294.370 3.591 30 20 CHED C[C@@H](C#N)CNN=C1CC[C@H](c2cccc(Cl)c2)C1 841630938 BKNPIYZSFIOJRE-AAEUAGOBSA-N 275.783 3.713 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2cccc(F)c2)o1 920383988 LYIKGCDAWJJOEE-QMTHXVAHSA-N 258.296 3.988 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H](C#N)C2)c2ccccc12 928216862 KSADNLQEPNHSOM-AWEZNQCLSA-N 278.355 3.524 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1COc2c(Cl)cccc21 925518333 OYZLMZJPCJHSKM-GWCFXTLKSA-N 278.783 3.691 30 20 CHED Fc1ccc(NN=C2CCc3c(F)cccc32)cc1 921251284 IZFVRAGQXOCYPK-UHFFFAOYSA-N 258.271 3.727 30 20 CHED CC(CC(C)(C)C#N)=NNc1cc(Cl)ccc1[N+](=O)[O-] 853354900 YFAGQPISGYGMKF-UHFFFAOYSA-N 294.742 3.976 30 20 CHED C=CCCSCCN[C@H](CC)c1ccc(F)cc1O 850502720 VPDCCWIEDBQGSW-CQSZACIVSA-N 283.412 3.881 30 20 CHED Oc1c(Cl)cc(Cl)cc1C=NO[C@@H]1CCCCO1 755824326 PUSPRYVGRKMSHQ-LLVKDONJSA-N 290.146 3.576 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H](c1ccccc1)N1CCCC1 924534458 WVTKETWBCSQZQS-FUHWJXTLSA-N 299.462 3.741 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(C(C)C)cc2)[nH]1 751512364 IKIKQSJBQKHWOF-LUAWRHEFSA-N 297.354 3.821 30 20 CHED COc1ccc(C(=O)/C=C/c2nc(Cl)cs2)cc1F 759076955 UPAKKWDWWLCRCT-HWKANZROSA-N 297.738 3.840 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccccc1C#N 921109896 RAYRLPLWEKHMNP-ZDUSSCGKSA-N 297.329 3.619 30 20 CHED C=CCC[C@H](C)Nc1ccc(NC(=O)OCC)c(C#N)c1 757874816 JBUZCADEHDJBCS-LBPRGKRZSA-N 287.363 3.893 30 20 CHED CCCCCOC(=O)c1ccc(Cl)c(C#N)c1 754900152 JUPHURHMMKDEQJ-UHFFFAOYSA-N 251.713 3.559 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1coc2ccccc12 926615946 QHNWRFHYTAWBFV-FRRDWIJNSA-N 254.333 3.776 30 20 CHED CCc1ccc(C(C)=NNc2ncccc2Cl)o1 752165342 WAQOYLDGDHFDMZ-UHFFFAOYSA-N 263.728 3.727 30 20 CHED CC1(C/N=C\c2c(O)ccc3ccccc23)CCOCC1 753138400 NOFQUNUUPKWOAN-UNOMPAQXSA-N 283.371 3.781 30 20 CHED C[C@@H](C#N)CN(C)Cc1ncc(-c2ccc(Cl)cc2)o1 49001047 JVJPOSWAUFOODN-NSHDSACASA-N 289.766 3.586 30 20 CHED COCCC(=NNc1ncccc1C(F)(F)F)C(C)C 756825722 KKGJAYCQDNKLFM-UHFFFAOYSA-N 289.301 3.561 30 20 CHED Fc1c(Cl)cccc1NN=Cc1cnc2ccccn12 755673398 MOMDUOFOCUJEHO-UHFFFAOYSA-N 288.713 3.573 30 20 CHED C#C[C@H](N[C@@H](C)c1cc2ccc(C)cc2o1)[C@@H]1CCCO1 756052885 GGCWUYGRVOLZGG-BPUTZDHNSA-N 283.371 3.573 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1cc(C)sc1C 756842212 MFHAXBZLMLWGHM-UHFFFAOYSA-N 279.796 3.671 30 20 CHED C=CCN(Cc1sc2nc(C)nc(C)c2c1C)C1CC1 757924048 VAUGQJASCSTRLH-UHFFFAOYSA-N 287.432 3.767 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1cc(F)cc(F)c1O 757474953 DRKPMOSSMCCKGE-RJRFIUFISA-N 296.219 3.845 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H]1CCC[C@H](C#N)C1 851084862 YBVQOGANTWBVLB-NXNVCVFFSA-N 283.371 3.724 30 20 CHED CC1CC(C#N)(C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)C1 758181984 AYKZSVHAWHARRH-QRHJNKNDSA-N 290.451 3.895 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)COc1cccc(C#N)c1 768188398 UCZQTZNIEHNRCZ-CQSZACIVSA-N 295.338 3.550 30 20 CHED N#CCCCCNC(=O)c1ccc(Cl)c2occc12 931965658 BHCSKCAXLCZYOZ-UHFFFAOYSA-N 276.723 3.510 30 20 CHED C#CCCCN[C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 766234651 ZTTHKNSHLFNTKC-RDJZCZTQSA-N 289.394 3.864 30 20 CHED CC(C)(C)OC(=O)N1CCC[C@](C)(C=NOC2CCC2)C1 863114477 KSUCGTYZEQOAKL-MRXNPFEDSA-N 296.411 3.579 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](C#N)C(C)(C)C)c1 860646722 KUYXBIYMVIGRAR-ZNMIVQPWSA-N 271.360 3.580 30 20 CHED CCCCCCCNC(=O)C[C@H](C)c1ccco1 862354539 ASDRTCKETLYBHN-ZDUSSCGKSA-N 251.370 3.860 30 20 CHED Fc1ccc(C2=CCC(=NNCC(F)(F)F)CC2)cc1 769808530 QOFJHNWZZIOVGN-UHFFFAOYSA-N 286.272 3.901 30 20 CHED C#CCCc1noc(-c2ccc(CSCC)cc2)n1 762010833 AJKXBGKYITYLPR-UHFFFAOYSA-N 272.373 3.556 30 20 CHED CCO[C@H]1CCCC1=NNc1nc2ccccc2cc1C 766455058 OTZKYEXVEYPUFY-INIZCTEOSA-N 283.375 3.900 30 20 CHED CCN(Cc1ccc(C#N)c(OC)c1)Cc1ccccc1F 1116924354 DKAAZQLCGMZMES-UHFFFAOYSA-N 298.361 3.728 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2cncc(C)c2)c1 767365315 ANKVDRPYQWQCBM-PLNGDYQASA-N 251.329 3.903 30 20 CHED C#Cc1ccc(-c2nc(-c3ccc(C(C)C)cc3)no2)cn1 761370159 CPUAKHVMWVMFID-UHFFFAOYSA-N 289.338 3.903 30 20 CHED C#CCCCCNC(=O)N1CCCC[C@H]1CCC(C)C 761769793 DTJHTOFZPZOING-INIZCTEOSA-N 278.440 3.790 30 20 CHED CC#CCCOC(=O)[C@H](C)c1ccccc1C(F)(F)F 760289489 JFWANFHNTAAVDL-LLVKDONJSA-N 284.277 3.766 30 20 CHED CCCCCCCCOCC(=O)N[C@@H]1CCC(F)(F)C1 763868446 OKVIHLKHSGCAGR-CYBMUJFWSA-N 291.382 3.668 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1csc(C(F)(F)F)n1 1116819668 YFBMHOSPEWSWJI-NSHDSACASA-N 293.310 3.807 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(OC(F)(F)F)c1 769999745 BRIUSKCMOHFDRX-LOWVWBTDSA-N 298.308 3.928 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)O[C@H](C#N)C(C)(C)C 765630670 UUDBMVWPTNFFLM-SNVBAGLBSA-N 294.420 3.844 30 20 CHED C#CCCCCCCNc1cccc(-c2nnco2)c1 876520773 XRSBDLOEPQFKGC-UHFFFAOYSA-N 269.348 3.732 30 20 CHED C=CCCc1nnc(-c2ccc(OCCC)c(OC)c2)o1 1117230042 BGYKUXOUCRVEOV-UHFFFAOYSA-N 288.347 3.653 30 20 CHED CC(C)c1ncc(/C=C2/C(=O)Nc3cc(C#N)ccc32)s1 773162036 SIDDPIFVYZYMNH-AWNIVKPZSA-N 295.367 3.631 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)o1 774593460 ODASZGMANSVOJV-SQLGEJSKSA-N 258.365 3.515 30 20 CHED C#CCCCCC(=O)OCc1cc(-c2cccs2)on1 773631186 SEGJEWLQTVOHBU-UHFFFAOYSA-N 289.356 3.640 30 20 CHED FC(F)(F)c1cccnc1NN=C1CC2(CCC2)C1 772839639 DUSPRZHEFZNWBR-UHFFFAOYSA-N 269.270 3.832 30 20 CHED CC[C@@H]1CC[C@H](C)N1CC[C@](C#N)(C(C)=O)c1ccccc1 878340193 JXDRHYBFLSEWSJ-IPELMVKDSA-N 298.430 3.690 30 20 CHED N#Cc1cccc(NCc2cc(Cl)cc(F)c2O)c1 779572378 GMTDUBIMNPWVAV-UHFFFAOYSA-N 276.698 3.668 30 20 CHED C#Cc1ccc(CNc2ccc(COCC)cc2)cc1 1118299275 BTUSFENPZCXJBQ-UHFFFAOYSA-N 265.356 3.817 30 20 CHED C=C1CCC(c2nc(-c3ccnc(C)c3)no2)CC1 1119522895 RTYHMEPSIPEKQV-UHFFFAOYSA-N 255.321 3.654 30 20 CHED CC[C@@H](Sc1ccc(C#N)cc1Cl)C(C)=O 871657557 DXYPDRMCNMFAAM-LLVKDONJSA-N 253.754 3.671 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1cc2ccccc2[nH]1 1118156546 XSKNGVKCVFIGOJ-UHFFFAOYSA-N 270.376 3.729 30 20 CHED C#CCCCCCC(=O)N[C@H](c1ccccc1)C(F)(F)F 779849830 IRKZEFKWCKUGMZ-OAHLLOKOSA-N 297.320 3.990 30 20 CHED C[C@H](CCC#N)CN[C@@H](c1ccccc1)C1CCOCC1 877042769 WRDLJJGJPXHVAU-QAPCUYQASA-N 286.419 3.684 30 20 CHED N#C[C@@H](C(=O)C1CCC=CCC1)c1nc2ccccc2o1 873498400 AQWMZTNVNFPHDK-ZDUSSCGKSA-N 280.327 3.750 30 20 CHED C=C(CC)COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 773437518 WUOXTMAZZPLLQO-LLVKDONJSA-N 295.360 3.585 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)o1 777916449 ZXIGNNLVPPYQLH-XQRVVYSFSA-N 275.235 3.531 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)OCCC(C)(C)C#N 776397923 RZASMYLFHREDNK-CQSZACIVSA-N 281.396 3.597 30 20 CHED N#Cc1ccccc1OCCn1nc(Cl)c2ccccc21 779461660 AUPAJZYYQHSPTQ-UHFFFAOYSA-N 297.745 3.640 30 20 CHED C#CCCCCCC(=O)N(Cc1ccccc1OC)C1CC1 779855422 BOAUVFUMISFKIB-UHFFFAOYSA-N 299.414 3.770 30 20 CHED Cc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1C 776360733 DYJNPMKFKRZRMY-MRXNPFEDSA-N 271.360 3.933 30 20 CHED C#CCCCCCC(=O)Nc1cccc(N2CCCC2)c1 779855666 MHHFCGNZKFAPNS-UHFFFAOYSA-N 284.403 3.809 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 779948500 BCHDKYJPBMMKHE-SJORKVTESA-N 293.451 3.670 30 20 CHED CC(CCCC(F)(F)F)=NN=c1cc[nH]cc1Cl 774387884 KAVNVMFTOVCDDX-UHFFFAOYSA-N 279.693 3.677 30 20 CHED O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccccc1 884003288 JOQDLWVBQWMSGK-XFXZXTDPSA-N 274.323 3.768 30 20 CHED Cc1cncc(C(=O)/C=C/c2scnc2C2CC2)c1 782350555 AEMVXAGQWNHQRK-SNAWJCMRSA-N 270.357 3.620 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCCC(C)(C)C2)c1 785469069 NQCGCLDJXHMLFW-OAHLLOKOSA-N 286.444 3.923 30 20 CHED C/C(=C\C(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CC1 887706184 PQRNQLSMRTUXNK-WYMLVPIESA-N 294.398 3.621 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(CN2CCCCC2)cc1 882951079 NOKMSPAYAAMMIO-UHFFFAOYSA-N 299.418 3.551 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCC1CCC(F)(F)CC1 890058327 GRZBPEHXSJEZHP-AWEZNQCLSA-N 273.367 3.921 30 20 CHED C#CCC1(OC(=O)c2ccc3nc(C)ccc3c2)CCC1 788080670 SOSUWNKEYQUISZ-UHFFFAOYSA-N 279.339 3.646 30 20 CHED Cc1cc(C)c(C=NN2Cc3ccccc3C2=O)cc1C 781597242 NYVOWJSNOIKILL-UHFFFAOYSA-N 278.355 3.602 30 20 CHED CSc1ccccc1N(C)C(=O)C1(C#N)CCCCC1 1126552646 XRFWLPVKKGTCOV-UHFFFAOYSA-N 288.416 3.845 30 20 CHED Cc1cc(C(=O)OCCCCC(C)(C)C#N)c2n[nH]cc2c1 785806206 RSFCWIKPELATRI-UHFFFAOYSA-N 299.374 3.748 30 20 CHED N#Cc1ccc(CNCCC2CCC(F)(F)CC2)s1 898032312 ZRLJOBZPVFFCHF-UHFFFAOYSA-N 284.375 3.925 30 20 CHED C#CCCCCCC(=O)Nc1cc(Cl)nc(Cl)c1 787935235 TUTVSOXNAJPSDA-UHFFFAOYSA-N 285.174 3.911 30 20 CHED N#CCCCNCc1ccc(OCc2ccccc2F)cc1 784621233 GPRKJFCGLANUGO-UHFFFAOYSA-N 298.361 3.798 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCS2)cc1Cl 87475516 VUOQWTLVTZSFOY-NSHDSACASA-N 252.770 3.519 30 20 CHED COc1ccc(NN=C(C)c2cc(C)c(C)o2)cc1 799884619 HXQZZNYEOAZLLV-UHFFFAOYSA-N 258.321 3.741 30 20 CHED COc1ccc(NC(=O)Nc2scc(C)c2C#N)cc1 1202382853 HGYGTVZTJNBXMU-UHFFFAOYSA-N 287.344 3.581 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(Cl)cc1C#N 702335233 LACIJKLPLDLAQN-VIFPVBQESA-N 250.729 3.586 30 20 CHED C=CCOc1ccccc1-c1nc(C2CC(=C)C2)no1 896876977 NCAGKYXONVILMX-UHFFFAOYSA-N 268.316 3.735 30 20 CHED C=C1CCN(C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 894344050 ZSHDLIBZRNXOEN-CYBMUJFWSA-N 284.359 3.855 30 20 CHED CC(=NNCc1cccc(Cl)c1Cl)[C@@H]1CCCO1 790180250 DLZXPMIEBSCOKM-LBPRGKRZSA-N 287.190 3.638 30 20 CHED COc1ccccc1CON=Cc1csc(C2CC2)n1 799118411 FGYAHJLNSSUJRB-UHFFFAOYSA-N 288.372 3.580 30 20 CHED Fc1ccc2c(c1)CCCC2=NNc1cccc(F)n1 795005780 DJMBVTDNFLIKHC-UHFFFAOYSA-N 273.286 3.512 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1coc(C(C)C)n1 799487374 LPUURLUEBDDUPU-ZDUSSCGKSA-N 263.385 3.690 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc(C(C)(C)C)cc1 796846235 FTRJXEZZLAFZCA-KRWDZBQOSA-N 273.376 3.967 30 20 CHED COCC[C@H]1CCCC1=NNc1cc([N+](=O)[O-])ccc1C 799877484 BZKHORFSBQBDNR-GFCCVEGCSA-N 291.351 3.508 30 20 CHED C[C@H]1CC(=NNc2cccc(F)n2)c2ccsc2S1 795007524 JGXDIVQWSKHAMS-QMMMGPOBSA-N 293.392 3.983 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccnc(O)c1 790291608 XTVYITOWGYTNCM-UHFFFAOYSA-N 296.157 3.930 30 20 CHED Cc1nn(C(C)C)cc1/C=C1\Cc2ccc(F)cc2C1=O 798370247 HNXSICKDTYFOPW-NTUHNPAUSA-N 284.334 3.734 30 20 CHED C#C[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(C)C 799044672 KRVPDNZMAAXERS-IBGZPJMESA-N 293.410 3.937 30 20 CHED FC(F)(F)CCNN=Cc1csc2ccccc12 794552631 QCAQRDSICVZUAR-UHFFFAOYSA-N 272.295 3.777 30 20 CHED C=CCCCCC[C@H](C)NCc1cnc2n1CCCC2 793565499 QHRHNTJQGZPEOE-HNNXBMFYSA-N 275.440 3.834 30 20 CHED C=CCC[C@H](NCc1cccc2c1OCCO2)c1ccco1 796829463 YVBVJIRUBTYXFS-HNNXBMFYSA-N 299.370 3.848 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H](C)C1(F)F 599514834 LGAXSAIDAHGUDK-GHMZBOCLSA-N 298.764 3.935 30 20 CHED CC(C)C(N[C@H](C)c1ccc(OCC#N)cc1)C(C)C 776171030 RUPGTLOFCCNZJH-CQSZACIVSA-N 274.408 3.920 30 20 CHED C=C(Cl)CN[C@@H](COc1ccccc1F)C(C)(C)C 1168529331 KRXZRNYMSWDTMM-AWEZNQCLSA-N 285.790 3.961 30 20 CHED CC(C)[C@@H]1N(c2cccc(C#N)n2)CC12CCCCC2 1163459907 VPEOVWUXYHJPTB-INIZCTEOSA-N 269.392 3.748 30 20 CHED CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1CC1(C)C 1174907494 OSAUMYLHWKLABQ-HNNXBMFYSA-N 270.420 3.966 30 20 CHED N#CCc1cccc(N2CCC3(CCCCC3)CC2)n1 1327967692 MCFVNYUULNREQX-UHFFFAOYSA-N 269.392 3.698 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)CC#Cc2ccccc2)[C@@H]1C 1321249251 ALPPZGPPWAMFMH-JFIYKMOQSA-N 283.415 3.617 30 20 CHED N#Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cs1 1325110913 ISWONYXXTGUQGY-YRGRVCCFSA-N 288.416 3.708 30 20 CHED CC(C)[C@@H]1N(C(=O)c2csc(C#N)c2)CC12CCCC2 1326731276 WXINDAKRKVARKB-AWEZNQCLSA-N 288.416 3.661 30 20 CHED CCC[C@H](NCc1ccc(C#N)c(C)c1)C1CCC1 1664973205 AHXJDJFKVWZBNB-KRWDZBQOSA-N 256.393 3.925 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)NCCCC(F)F 1339897199 YGQZICCXDSDQEU-AWEZNQCLSA-N 296.361 3.518 30 20 CHED CC(=O)c1ccc(F)cc1OCCc1ccc(C#N)cc1 1188952244 JDWVVBDFWXKGOE-UHFFFAOYSA-N 283.302 3.521 30 20 CHED CS[C@@H]1CC[C@@H](N(C)CC#Cc2cccc(Cl)c2)C1 1253399223 UJBYMXBHLJMDHS-HZPDHXFCSA-N 293.863 3.907 30 20 CHED CC[C@@H](F)C(=O)Nc1cc(C(C)(C)C)sc1C#N 1337466165 FLPJNWBZLDLOJR-MRVPVSSYSA-N 268.357 3.604 30 20 CHED C[C@H]1C[C@@H](NC(=O)[C@H](CC#N)c2ccccc2)CC[C@H]1C 1267935830 YCGSAUFUHDKRPO-YQFWSFKMSA-N 284.403 3.625 30 20 CHED C[C@H](OC(=O)[C@@H](C)Sc1ccc(F)cc1)C(C)(C)C#N 1343028789 ZUIWRCOIBVZICJ-MNOVXSKESA-N 295.379 3.788 30 20 CHED Cc1ccc2ncc(CN3CCc4ccc(C#N)cc43)cc2c1 1193011572 LIKBHMJVDXBYPS-UHFFFAOYSA-N 299.377 3.978 30 20 CHED CCCC(CCC)C(=O)Nc1nc2c(cc1C#N)CCCC2 1435694421 KPGNNBOAGWSBOC-UHFFFAOYSA-N 299.418 3.987 30 20 CHED CCC(C#N)(CC)C(=O)OCc1csc(C)c1C 1352785261 JLQZZNPFUKUOLM-UHFFFAOYSA-N 265.378 3.738 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1cc(C#N)c(F)cc1F 1438610060 IDZKHCPDAFJQGW-SNVBAGLBSA-N 280.318 3.847 30 20 CHED Cc1cccc2c(C(=O)N(C)c3cccc(C#N)c3)coc12 1518172245 LLTXPPHWMDMRAF-UHFFFAOYSA-N 290.322 3.890 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H](c1ccccn1)C(C)C 1515144576 FTRXFRHWCPFXJG-KRWDZBQOSA-N 294.354 3.816 30 20 CHED CC1(C)C(C(=O)Nc2cc(C#N)ccc2NC2CC2)C1(C)C 1448355984 JZUZRLBFFSGXBA-UHFFFAOYSA-N 297.402 3.753 30 20 CHED Cc1ccc(C[C@@H]2CCCN(C(=O)CC(C)(C)C#N)C2)cc1 1442673691 SGGIESCTHAQLOT-KRWDZBQOSA-N 298.430 3.716 30 20 CHED Cc1cccc(N(C)Cc2cccc(C#N)c2F)c1 223529641 NMXXTCJNGLEPGQ-UHFFFAOYSA-N 254.308 3.642 30 20 CHED Cc1cc(NCCc2cccc(Cl)c2)ncc1C#N 1458061783 IJUZNFTWUDWPGK-UHFFFAOYSA-N 271.751 3.570 30 20 CHED Cc1c(Cl)cnc(NCC=C(Cl)Cl)c1C#N 1458616273 GWLSTBGLQQFATB-UHFFFAOYSA-N 276.554 3.646 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1Cl 1529894672 QRZGQWXBQJUXDK-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1nc(CCOc2c(C)cc(Cl)cc2C#N)cs1 1459139029 FNTHSDCUJSXMKS-UHFFFAOYSA-N 292.791 3.907 30 20 CHED N#Cc1cccc(S[C@@H](C(=O)O)c2ccc(F)cc2)c1 1601121231 IALAQECEJXEJHS-CQSZACIVSA-N 287.315 3.615 30 20 CHED N#CCC[C@H](NC(=O)c1ccc(CF)cc1)c1ccccc1 1534333386 VLXMECQZFZLEFK-KRWDZBQOSA-N 296.345 3.931 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@H](C)CC(C)C 1533138481 ICNHRKZFRAELPW-GFCCVEGCSA-N 286.375 3.772 30 20 CHED N#Cc1c(Cl)nsc1Oc1cccc2c1OCCC2 1472815919 PBKNFOABWSWBJN-UHFFFAOYSA-N 292.747 3.785 30 20 CHED C=C(Cn1c(C)nnc1N(CC)CCC)c1ccccc1 1705742218 NNDOIJCZGPQYKQ-UHFFFAOYSA-N 284.407 3.536 30 20 CHED C=C(CC)C(=O)Nc1cc(C2CCC(F)(F)CC2)[nH]n1 1548732425 IQCUSQILAHJCCX-UHFFFAOYSA-N 283.322 3.607 30 20 CHED N#Cc1cc(F)cc(NCc2cccc3c2NCCC3)c1 1621480093 UWWWDEFYQQDSQP-UHFFFAOYSA-N 281.334 3.668 30 20 CHED C[C@@H]1CC[C@H](NCc2cccc(F)c2C#N)C[C@H]1C 1560743028 WPJZISNRDKSRQM-BZPMIXESSA-N 260.356 3.612 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cc(F)ccc1F 229674878 BBEFHRFLXPIZQM-LLVKDONJSA-N 266.335 3.945 30 20 CHED Cc1ccc(N=c2cc[nH]c(C#N)c2)cc1OCCC(C)C 1639517026 WBQFSIQTYBQJAT-UHFFFAOYSA-N 295.386 3.852 30 20 CHED N#Cc1cncc(SCc2c(Cl)cccc2Cl)n1 1639371037 NYJDHSWIIOHJJD-UHFFFAOYSA-N 296.182 3.947 30 20 CHED N#Cc1cccc(CNc2ccc(F)c(F)c2)c1F 230054696 RLFOPKMVRJWGNO-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=C(Br)CN[C@H](c1ncccc1C)C(C)C 121916346 IIPNHZGCVHYUHM-LBPRGKRZSA-N 283.213 3.585 30 20 CHED Cc1cc(N(Cc2ccc(F)cc2)C2CC2)ncc1C#N 1641993471 GVBCBUDRSFOIEG-UHFFFAOYSA-N 281.334 3.570 30 20 CHED CC(C)COC(=O)CSc1ccc(Cl)cc1C#N 1651842092 BUNDKNUSJDLGMD-UHFFFAOYSA-N 283.780 3.503 30 20 CHED CCc1csc(Sc2c(C#N)nnc3ccccc23)n1 1652088565 XOPRSDPSIUQEKT-UHFFFAOYSA-N 298.396 3.672 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(C3CCC3)cc2)n1 1655428421 VFHQFZLPIPXYLI-UHFFFAOYSA-N 278.359 3.922 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C#N 1584088114 XIMPNTQBHRJCFH-DETPVDSQSA-N 271.360 3.848 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(CC)CCC 1760366043 OVEHWDLLZLLCCF-LLVKDONJSA-N 284.835 3.780 30 20 CHED CC(C[C@H]1C=CCC1)=NNc1cccc(C(=O)O)c1C 1776089534 XDWFKEBKHRGEHL-ZDUSSCGKSA-N 272.348 3.837 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1ccc(C(=O)O)nc1 1776070245 CPLBGSAEDQIKRW-NSHDSACASA-N 277.368 3.640 30 20 CHED C=CCN(Cc1cccs1)Cc1cc(C(=O)O)cs1 1776181004 HVCVNPWTQIOYNM-UHFFFAOYSA-N 293.413 3.696 30 20 CHED C[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(F)cc1F 161889870 UQKJDBGMHDMIPL-YGRLFVJLSA-N 294.345 3.513 30 20 CHED N#CCc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1 158463058 PDGNGAXNDXUFPE-UHFFFAOYSA-N 287.366 3.789 30 20 CHED N#Cc1ccnc(SCC(=O)CCC2CCCC2)c1 160315206 WOKDKLQTNDPENE-UHFFFAOYSA-N 274.389 3.585 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccc(C)o2)c1C 160708026 UHQSJLGCDVHMBL-BQYQJAHWSA-N 272.348 3.707 30 20 CHED C#C[C@H](OC(=O)c1cccc(-c2ccccn2)c1C)C1CC1 152831564 HIPIUFXADBQGRD-SFHVURJKSA-N 291.350 3.626 30 20 CHED CSc1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)cc1 152683143 KPEOYGKMOLTAOO-QPJJXVBHSA-N 286.352 3.716 30 20 CHED CCCCCCCC(=O)N[C@H](C)Cc1ccc(O)cc1 152621861 HPKGNAYHSLLNCI-CQSZACIVSA-N 277.408 3.800 30 20 CHED N#CCC[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 153591981 BIPVJBYXQYEALI-JKGDOXCYSA-N 290.366 3.861 30 20 CHED C=CCN(C)C(=O)Nc1ccc(COC2CCCC2)cc1 157465996 MNWCWHYSEZILCY-UHFFFAOYSA-N 288.391 3.796 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCc1cccc(O)c1 157981020 OOKXGPMMCUQZIB-UHFFFAOYSA-N 292.260 3.895 30 20 CHED Cc1ncccc1CN(Cc1ccc(C#N)cc1)C(C)C 154383958 BLDLDYVBTHITPK-UHFFFAOYSA-N 279.387 3.672 30 20 CHED CCOc1ccc(CNc2cccc(C#N)c2)cc1 19921923 CLGZGGCYNMCPRL-UHFFFAOYSA-N 252.317 3.569 30 20 CHED CC(C)CSCCN[C@@H](C)c1ccc(OCC#N)cc1 271847449 QSGYFDQDODKGRE-AWEZNQCLSA-N 292.448 3.629 30 20 CHED N#Cc1cc(NC[C@@H]2CCCCO2)ccc1C(F)(F)F 154045889 BLLRNJUCQORTAR-LBPRGKRZSA-N 284.281 3.558 30 20 CHED CCCCN(CCCC)C(=O)Nc1ccc(C#N)cc1 45029766 PSMYOWFCLOPWRD-UHFFFAOYSA-N 273.380 3.992 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2cccc(C#N)c2)C1 174443613 KRTXTHRIAKOMAA-MRXNPFEDSA-N 271.364 3.602 30 20 CHED C#CCCCCC(=O)Nc1ccc(C(C)(C)C#N)cc1 179728480 BDMVFOIQSLGOQC-UHFFFAOYSA-N 268.360 3.620 30 20 CHED C=C(C)CN(CCn1nc(C)cc1C)Cc1ccccc1 348221521 DQXUOFGZTUMDPD-UHFFFAOYSA-N 283.419 3.578 30 20 CHED N#Cc1ccc(CNC(=O)CCC2CCCCC2)cc1 55460966 UUHPRZRSGNJACO-UHFFFAOYSA-N 270.376 3.535 30 20 CHED C=C[C@@H](CO)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 353570135 DGNDZZXFTRHKMU-GWCFXTLKSA-N 274.191 3.581 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CC1CCC1 470648703 MPKZOWPEFJXDHP-UHFFFAOYSA-N 257.377 3.782 30 20 CHED CC1(CNc2ccc(C#N)cc2C(F)(F)F)CC1 361700613 FHXUZDMJCCDHSU-UHFFFAOYSA-N 254.255 3.789 30 20 CHED CC1(C)CN(Cc2ccccc2C#N)[C@@H]2CCC[C@@H]21 378854207 XHLOLSPRBBZLRC-JKSUJKDBSA-N 254.377 3.569 30 20 CHED CCOc1cc(C#N)ccc1OCc1cc(C#N)ccc1F 54154999 WFXIPIGNZYIMIF-UHFFFAOYSA-N 296.301 3.547 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H]1C=CCC1 55891406 IRCQHHGPYCQAEI-HNNXBMFYSA-N 285.387 3.566 30 20 CHED CN(CCCC#N)Cc1ccc(Cl)cc1Cl 52927853 WDBJDLXTFSDXKB-UHFFFAOYSA-N 257.164 3.729 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 175099543 ACYCJZZRMHOREK-CZUORRHYSA-N 294.354 3.749 30 20 CHED Cc1c(C#N)cccc1NC(=O)Cc1c[nH]c2ccccc12 178391624 MURZNKRAXZCFQK-UHFFFAOYSA-N 289.338 3.529 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2c(c1)CCCC2 55206565 DWCHOCOBNVQZDO-UHFFFAOYSA-N 257.377 3.604 30 20 CHED CC(C)(NCCCSCC#N)c1cccc(Cl)c1 179608141 RQLZITLYPIZFCO-UHFFFAOYSA-N 282.840 3.812 30 20 CHED CC[C@@H](C#N)NC(=O)CCCc1csc2ccccc12 176151123 FMEXFEOFTZCDGG-ZDUSSCGKSA-N 286.400 3.642 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 117398707 NAUYQUNXQCHJPM-OAHLLOKOSA-N 271.364 3.601 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 119412286 REWIXKDZTUYGNM-CQSZACIVSA-N 296.361 3.879 30 20 CHED CC(C)CS[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 68935195 LSBDENLSLAKGHT-JTQLQIEISA-N 296.823 3.928 30 20 CHED C=C1CCN(C(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 409658240 SGWHMMQOMQUGRY-GFCCVEGCSA-N 297.320 3.988 30 20 CHED CC[C@@H](c1ccccc1)S(=O)(=O)Cc1ccccc1C#N 173900585 NWSGTDYSKPEJJT-KRWDZBQOSA-N 299.395 3.624 30 20 CHED CC(C)[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 171977431 YBSIFBCFFNAALZ-RNCFNFMXSA-N 299.201 3.966 30 20 CHED CCOc1ccccc1CCN[C@@H](C)c1ccc(C#N)cc1 174048166 KCYQDOOVKRTTAP-HNNXBMFYSA-N 294.398 3.850 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1Cl 25911699 HOZYUXBSWTYVPZ-SNVBAGLBSA-N 260.724 3.506 30 20 CHED C=CCN1CCSC[C@@H]1c1ccc(Cl)cc1 303671195 PDLPWBZAQIYVQA-CYBMUJFWSA-N 253.798 3.616 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccnn1-c1ccccc1 177184787 XAEPGDHONSWVSH-UHFFFAOYSA-N 281.359 3.579 30 20 CHED Cc1ncsc1/C=C/C(=O)c1ccc(OC(F)F)cc1 172814346 PKFMAKXZPWTDRN-VOTSOKGWSA-N 295.310 3.949 30 20 CHED CCCCOc1ncccc1CNc1ccc(F)cc1C#N 301352948 JNNNEZDVFYIJTM-UHFFFAOYSA-N 299.349 3.883 30 20 CHED COc1cc(C)ccc1CNc1c(F)cc(C#N)cc1F 301615842 JIXJDXLRQODCPU-UHFFFAOYSA-N 288.297 3.766 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 302201235 SAUPMUCQGGFNKJ-DOMZBBRYSA-N 287.363 3.871 30 20 CHED C[C@@H](Nc1ccc(C#N)nn1)C1(c2ccccc2)CCCC1 302420662 OAFITTGEAZNKAK-CQSZACIVSA-N 292.386 3.661 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCC(F)(F)F)c1 409453741 QEZUHBQKDFSHNJ-UHFFFAOYSA-N 282.187 3.941 30 20 CHED CCCCc1nc(COc2cc(Cl)ccc2C#N)no1 474360298 GBKKKJDRZILORR-UHFFFAOYSA-N 291.738 3.516 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc(F)cc1Cl 185991541 KEJNDSSYTWQTEV-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(CCCN(C)C)CC1 123286339 ZMBMANPPXGZOHP-MRXNPFEDSA-N 299.462 3.673 30 20 CHED N#Cc1cccc(OCCCSC[C@@H]2CCCCO2)c1 125134469 MPCMIYVZPIYPTB-INIZCTEOSA-N 291.416 3.629 30 20 CHED CCC[C@@H]1CCCCN1CCC(=O)Nc1cccc(C#N)c1 318062808 JFZRMJBZJUDUIF-QGZVFWFLSA-N 299.418 3.541 30 20 CHED COc1ccccc1[C@@H](C)CC(=O)Nc1ccccc1C#N 75465679 RNRQZVRETOVUIR-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED CN(Cc1cc(C#N)ccc1F)C[C@H]1C[C@H]1c1ccccc1 505264129 ALABKICUUUHCPE-AEFFLSMTSA-N 294.373 3.933 30 20 CHED Cc1cc2cc(C(=O)O[C@H](C)CC#N)oc2cc1C 124273719 CFFUEPMERSOQOW-LLVKDONJSA-N 257.289 3.509 30 20 CHED N#Cc1ccc(SCCOCC2CCC2)c(F)c1 416929708 WSKCKNUIQSKTFP-UHFFFAOYSA-N 265.353 3.606 30 20 CHED CC(C)(C#N)NC(=O)c1cc2c(s1)-c1ccccc1CC2 77023730 MGPDMJHJYIUBSQ-UHFFFAOYSA-N 296.395 3.546 30 20 CHED Cc1oc2ccccc2c1CNCc1ccc(C#N)s1 183918534 SYXIWPIFHRVPLB-UHFFFAOYSA-N 282.368 3.964 30 20 CHED C=CC[C@@H](C(=O)N[C@H](CC)CSC)c1ccccc1 188973154 IGGUEOWZIBRSMP-HUUCEWRRSA-N 277.433 3.604 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(C#N)c2)C1 509346256 VHAFOFNCOGOSBY-IAGOWNOFSA-N 299.418 3.572 30 20 CHED C=C[C@H](CC(=O)NCCc1cccc(F)c1)c1ccccc1 124232977 CFYQOVNIZIVNFD-MRXNPFEDSA-N 297.373 3.844 30 20 CHED CC[C@H](C(=O)Nc1ccc(C#N)cc1OC)c1ccccc1 317518851 RSIDHBWMEDLCAD-HNNXBMFYSA-N 294.354 3.699 30 20 CHED C=CCC(CC=C)C(=O)NCC1(c2ccccc2C)CC1 129981908 KTOBUDFEEVDLJW-UHFFFAOYSA-N 283.415 3.911 30 20 CHED Cc1cc(CNc2ccc(F)c(F)c2)ccc1C#N 444005002 NYQDEQMVQPYPJB-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cc(Cl)ccc1OC 189930843 OVYCXZHXMOSZDL-INIZCTEOSA-N 295.810 3.909 30 20 CHED Cc1c(C(=O)N[C@@H]2CC[C@@H](C)C2)sc2ccc(C#N)cc12 504247676 VKFZKOMOHNSRDU-ZWNOBZJWSA-N 298.411 4.000 30 20 CHED C=CC[C@H](C)NC(=O)CCOc1cc(C)ccc1C(C)C 505817979 LVPVXGFSYKHIST-HNNXBMFYSA-N 289.419 3.968 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](c1ccccc1)C1CC1 509119864 BYQPYHGJSDDNOY-GOSISDBHSA-N 290.366 3.748 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)ccc2OC)cc1 215998565 RLPWHKUQCCNXQC-YFHOEESVSA-N 282.339 3.908 30 20 CHED N#Cc1ccc(CN(CCc2ccccc2)C2CC2)cc1 506614708 VRKKGALJOMRKBD-UHFFFAOYSA-N 276.383 3.765 30 20 CHED C=CCOCCSCc1coc(-c2cccc(F)c2)n1 419384919 KVHRKNMRPTXNKK-UHFFFAOYSA-N 293.363 3.917 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)CC(C)(C)C#N)CC1 505128961 MKUGWFGJYFQTPF-UONOGXRCSA-N 264.413 3.647 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(OC)c1 186246216 PMQCTTVXYYCVAM-GFCCVEGCSA-N 292.379 3.569 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2c(C)c(C)ccc2[nH]1 410121943 LLADONTVJNDPQV-CYBMUJFWSA-N 270.376 3.869 30 20 CHED CCN(CC(C)C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419642650 NVGUONGZVGMZMY-KRWDZBQOSA-N 299.418 3.623 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](c1cccs1)C1CC1 509122648 KIRPOYPNJJZDLD-INIZCTEOSA-N 296.395 3.809 30 20 CHED C=CCN(C(=O)CCc1scnc1C)c1ccccc1 414768463 IDCLLXXZNWJXLW-UHFFFAOYSA-N 286.400 3.603 30 20 CHED C[C@@H](N[C@@H](CCN(C)C)C(C)(C)C)c1cccc(C#N)c1 181763663 ARQXOPVLXQKVPP-PBHICJAKSA-N 287.451 3.575 30 20 CHED C[C@@H]1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)CS1 414224349 HOQVFNOSFHEADR-PVUWLOKVSA-N 286.444 3.809 30 20 CHED N#Cc1cc2c(nc1NCc1cc(F)cc(F)c1)CCCC2 500254393 QZTORSMGQBZSAJ-UHFFFAOYSA-N 299.324 3.722 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)SCc1ccccc1 410131965 SCNJVXMCEZSDGZ-DZGCQCFKSA-N 277.433 3.779 30 20 CHED CC(C)c1cnc(N=C(O)C2CCC(=O)CC2)s1 329888222 YNYZMVDEPZYTKO-UHFFFAOYSA-N 266.366 3.614 30 20 CHED O/C(CC/C(O)=N\C1CCCC1)=N\[C@@H]1C[C@H]2CC[C@H]1C2 328780351 MLZLGRNJIPBVHO-SGMGOOAPSA-N 278.396 3.811 30 20 CHED CC(C)[C@@H]1N(C[C@@H](C#N)CCC#N)CC12CCCCC2 414133183 BPDVMUXFRHOZFN-CVEARBPZSA-N 273.424 3.721 30 20 CHED N#Cc1ccc(CNCc2cccc(Cl)c2)s1 135666088 AZYWZMFRDTVMGB-UHFFFAOYSA-N 262.765 3.563 30 20 CHED CC(C)(C/N=C(/O)[C@H]1CCCC(O)=N1)C1=CCCCC1 328779606 GVFQYGGNBBFZMW-CYBMUJFWSA-N 278.396 3.979 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1c(Cl)cccc1Cl 42449321 ZZZFEIMUYUQZIK-SECBINFHSA-N 285.174 3.615 30 20 CHED N#Cc1nnc2ccccc2c1NCc1ccc(Cl)cc1 41529995 LBBOIBKUUNXQCU-UHFFFAOYSA-N 294.745 3.767 30 20 CHED C[C@@H]1CC[C@@H](/N=C(/O)c2csc(O)n2)c2ccccc21 329981914 OEYYTYZGWSJNIL-BXKDBHETSA-N 288.372 3.792 30 20 CHED C=CCCCCCn1cc(NC(=O)C(C)(C)C)cn1 195392507 FDUWYBHLSQHWFD-UHFFFAOYSA-N 263.385 3.614 30 20 CHED Cc1cc(C)c(NC(=O)c2cc(C#N)cs2)c(C)c1 84057792 LCFZXVJXUFIVBB-UHFFFAOYSA-N 270.357 3.797 30 20 CHED C[C@@H](OC(=O)c1cnc(C(C)(C)C)s1)C(C)(C)C#N 130789051 XENLAYUIZYNIBD-SECBINFHSA-N 280.393 3.536 30 20 CHED C[C@@H](O)CCc1ccc(OCc2cccc(F)c2C#N)cc1 427527938 NKMGPAFFPJNCRN-CYBMUJFWSA-N 299.345 3.590 30 20 CHED CCCc1ccccc1NC(=O)c1cccc(CC#N)c1 49683284 DJRGCXGKDCNJEM-UHFFFAOYSA-N 278.355 3.957 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccccc2)cc1 49893807 NKEQSLCXFWUWAY-QGZVFWFLSA-N 292.382 3.979 30 20 CHED N#Cc1ccc(N2CC[C@@](F)(c3ccccc3F)C2)cc1 514952319 RKSKRKUOHWSJEG-KRWDZBQOSA-N 284.309 3.772 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(C#N)c1C 510220915 DICRUMULMUQFDC-YOEHRIQHSA-N 284.403 3.908 30 20 CHED Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 424335978 XGKZTIRRYBUUDD-UXLLHSPISA-N 268.404 3.963 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1snnc1C1CC1 329494179 FGRXINNFESZIMN-ZMLRMANQSA-N 291.420 3.689 30 20 CHED C=CCC[C@@H](CC)N[C@H](C(=O)OC)c1ccc(F)c(C)c1 428377392 XNKURERGTQKENI-ZBFHGGJFSA-N 293.382 3.683 30 20 CHED Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1cccs1)CC2 41575028 UUKVZDMASVILGR-VQHVLOKHSA-N 288.324 3.560 30 20 CHED CC(C)Cn1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)cn1 425364867 HRNDSORKZQRADI-HNNXBMFYSA-N 296.418 3.604 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1CCC(F)(F)CC1 424834554 WHMFLFPVQZYNEU-UHFFFAOYSA-N 259.340 3.530 30 20 CHED C=CC1CCN(c2nnc(C3CCC3)n2CC(C)C)CC1 338993715 YDOYMNHMGRSCSY-UHFFFAOYSA-N 288.439 3.604 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccncc3)cc2F)C1 424192555 JDWQNWLIRLQNMH-SUMWQHHRSA-N 295.361 3.670 30 20 CHED C=C(C)COc1cc(CN2CCC[C@H](F)C2)ccc1OC 517948199 RCNXGNIYOUNPQT-HNNXBMFYSA-N 293.382 3.584 30 20 CHED Cc1nsc(C)c1-c1noc(-c2cccc(CC#N)c2)n1 426608834 VVBZJNZNGGZBHP-UHFFFAOYSA-N 296.355 3.543 30 20 CHED C[C@H]1N(CCC2(C#N)CCCCC2)CCC12CCOCC2 335174076 NWPBOJUHORVPFL-MRXNPFEDSA-N 290.451 3.742 30 20 CHED C=CCC1(C(=O)OCc2ccccc2COC)CCC1 192288376 SAXYSVMIMIFDLP-UHFFFAOYSA-N 274.360 3.623 30 20 CHED CC1(C)CCCc2cc(C#N)c(N3CC[C@@](C)(F)C3)nc21 428161605 FWSGQUBWLGJLOC-QGZVFWFLSA-N 287.382 3.505 30 20 CHED C=CCN(CCc1ccccc1)Cc1c(C)nn(CC)c1C 92505661 RQVWHWDMLFIZAF-UHFFFAOYSA-N 297.446 3.751 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCc2sccc21 330476074 GXDVIAYLNDSSOM-CJNGLKHVSA-N 290.432 3.613 30 20 CHED C=C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 513449985 DTNPSENXLUKQPH-UHFFFAOYSA-N 285.309 3.780 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)C2CCC(c3ccccc3)CC2)C1 335395763 QPGXCYBNURLFHT-IWCVFHTOSA-N 296.414 3.769 30 20 CHED Cc1ncoc1/C(O)=N/[C@H]1CCCc2ccc(F)cc21 330065779 SICIZHUBKDDERP-ZDUSSCGKSA-N 274.295 3.504 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@H]2CCC[C@@H](C)C2)cc1 237351676 JNNAQJUDXQWZPM-VYDXJSESSA-N 286.419 3.893 30 20 CHED CC[C@H](F)Cn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 334476868 OGFFSHJEYRZFPH-NSHDSACASA-N 292.741 3.583 30 20 CHED Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)cnc1N1CCCC[C@@H]1C 332389682 LIVQIUAVHYMGKI-ARFHVFGLSA-N 298.434 3.873 30 20 CHED CC(C)c1ccoc1C(=O)Nc1ccccc1C#N 336128356 BROIUDCETCCVCN-UHFFFAOYSA-N 254.289 3.527 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1ccccc1 246150612 DSTVVCHVYQMOQO-VVLHAWIVSA-N 269.388 3.856 30 20 CHED CCC(CC)CN(CCC#N)CCC(=O)c1ccccc1 348158970 UQHLIGKYFUCPCC-UHFFFAOYSA-N 286.419 3.911 30 20 CHED COc1cc(OCCCc2ccsc2)ccc1C#N 435795191 PPJMUPZVFXSJKC-UHFFFAOYSA-N 273.357 3.640 30 20 CHED CCC[C@H](NCCc1cccc(C#N)c1)c1cccnc1 343587189 CUGDVWNMEMRBII-SFHVURJKSA-N 279.387 3.627 30 20 CHED C=CCCC[C@H](C)NC(=O)c1csc(-c2ccoc2)n1 343258656 JILIDOHYWNOGPQ-NSHDSACASA-N 290.388 3.878 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 342357353 FKLXOYZRCDFNDG-LBPRGKRZSA-N 297.354 3.844 30 20 CHED N#CCc1ccccc1C(=O)Nc1cccc2c1CCCC2 600982109 NXPXKUCOWNHDBE-UHFFFAOYSA-N 290.366 3.884 30 20 CHED CSCCCS[C@H](C#N)CCc1ccccc1 601084211 XPLDMGOHWALMPM-AWEZNQCLSA-N 265.447 3.998 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(CC2(C#N)CC2)C1 343312414 BKGCHBGDHJKDNY-IUODEOHRSA-N 258.340 3.512 30 20 CHED CC#CCN(Cc1cccc(Br)c1)C(C)C 607727769 XSKODUPDTNFOTC-UHFFFAOYSA-N 280.209 3.683 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CCC(C(C)C)CC1 435748618 ORUGAASVBMBSHW-XGHPGWEVSA-N 265.441 3.772 30 20 CHED CCC(CC)(CC)NC(=O)Nc1ccc(F)c(C#N)c1 437949133 CIINODCLYVIMFW-UHFFFAOYSA-N 277.343 3.788 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ncccc1Cl 528528382 YLOVWLCRLKIWQU-LBPRGKRZSA-N 285.778 3.800 30 20 CHED C[C@H](c1c(F)cccc1F)N(C)CCCSCC#N 342177281 LODMMRHNPMWWEH-LLVKDONJSA-N 284.375 3.604 30 20 CHED N#Cc1ccc(SCc2noc(C3CCC3)n2)c(F)c1 600527055 BGGLJQYURCQYAB-UHFFFAOYSA-N 289.335 3.640 30 20 CHED C[C@H](CCC#N)CNc1ccc2c(c1)nc(C1CC1)n2C 602605877 UGFXVVJXNGCJRM-GFCCVEGCSA-N 282.391 3.802 30 20 CHED N#C[C@@H](NC(=O)C1CCCC1)c1cccc(C(F)(F)F)c1 349471064 AXQMEJQZTROFJJ-CYBMUJFWSA-N 296.292 3.576 30 20 CHED C=CCC[C@@H](CC)NCC1(CO)CC(c2ccccc2)C1 433080944 FKLZSQWTNRCWCF-JLAWEPINSA-N 287.447 3.877 30 20 CHED C=CCN(C(=O)C[C@H](C)n1nc(C)cc1C)c1ccccc1 341074161 DAPAUNRXRIWANR-INIZCTEOSA-N 297.402 3.670 30 20 CHED Cc1cc(CNCCc2cc3ccccc3[nH]2)ccc1C#N 443993469 BBDSQGGQKHVDRA-UHFFFAOYSA-N 289.382 3.680 30 20 CHED CC(C)N(Cc1cccc(C#N)n1)[C@H](C)c1ccccc1 602670855 GYFWPPSXWFSROZ-OAHLLOKOSA-N 279.387 3.925 30 20 CHED CC(C)[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCS1 252480329 AGWBZVYHRXXYQV-CZUORRHYSA-N 274.433 3.693 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)Cc2cc3ccccc3o2)C1 609737077 ZAPSPUNCZRXMDA-UGSOOPFHSA-N 296.370 3.564 30 20 CHED O=C(/C=C\c1ccc(F)cc1Cl)c1ccco1 255028561 MPUZEUMAAGRQAK-XQRVVYSFSA-N 250.656 3.968 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(C)c1ccc(C#N)cc1F 609217112 VNZSNMSWAVEJSM-OCCSQVGLSA-N 288.366 3.877 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)Cc1cccc(C(F)(F)F)c1 449523830 YUCBRHOTLAFQGW-DFBGVHRSSA-N 299.336 3.570 30 20 CHED Cc1cc(NC(=O)CC2(C#N)CCCCC2)cs1 601878460 YGLAMWRDPMTDGY-UHFFFAOYSA-N 262.378 3.859 30 20 CHED N#CCc1ccc(N[C@H](c2nc[nH]n2)C2CCCCC2)cc1 602615584 YOYFAYOOQDBUEQ-INIZCTEOSA-N 295.390 3.604 30 20 CHED Cc1ccccc1[C@H]([C@H](C)NC[C@H](C)CCC#N)N(C)C 602627041 PFCHOQGRFYGJDB-HFTRVMKXSA-N 287.451 3.516 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc2sccc2c1 357816545 YYOKXXJHHIPXAY-LLVKDONJSA-N 274.389 3.665 30 20 CHED C[C@H](CCC#N)CN(C)CCc1ccc(Cl)cc1 602456791 YNJQAJJOCUYCHQ-CYBMUJFWSA-N 264.800 3.754 30 20 CHED C[C@H](C#N)CN(C)C(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 447803408 ADHAINZFHLSGBJ-RRFJBIMHSA-N 293.455 3.640 30 20 CHED CC(C)(CCC#N)CNC(=O)C(C)(C)c1cccc(F)c1 359765678 NWIRDWVJPUPHEA-UHFFFAOYSA-N 290.382 3.549 30 20 CHED CO[C@@H](c1ccccc1Cl)[C@H](C)NCCC(C)(C)C#N 538691442 OOQQPUVEJVBEOS-SWLSCSKDSA-N 294.826 3.945 30 20 CHED N#CCCCCSCc1cccc2nsnc12 268703802 BHQCQCWJNUUJGM-UHFFFAOYSA-N 263.391 3.618 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 538343971 SXAFKVKLCHIYBL-GFCCVEGCSA-N 291.351 3.770 30 20 CHED C=C[C@@H](C)NC(=O)c1cccn1[C@H](C)Cc1ccccc1 358494446 FTEJNEPVCBTNBB-HUUCEWRRSA-N 282.387 3.596 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CCCC(F)(F)F 354096189 HGZBMTYLEIJCMO-UHFFFAOYSA-N 299.296 3.661 30 20 CHED Cc1nc(-c2ccc([C@@H](C)NCCC#N)cc2)cs1 358878996 VVNGLFKZWZVRJK-LLVKDONJSA-N 271.389 3.683 30 20 CHED Cc1cccc(Oc2ncccc2NC(=O)[C@H](C)C#N)c1C 357802429 VJFQEWQGTVAGQN-GFCCVEGCSA-N 295.342 3.589 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1sccc1C1CC1 355623052 CXBYNXMXUSEOEF-UHFFFAOYSA-N 297.383 3.791 30 20 CHED Cc1cc2cc(C(=O)N[C@H](C#N)C(C)(C)C)oc2cc1C 268031635 VFNLUJIVZVKCSJ-OAHLLOKOSA-N 284.359 3.718 30 20 CHED CC(C)(C)c1cccc(OCCN[C@H]2CC[C@@H](C#N)C2)c1 442869995 CIONTGGPTMLKQG-ZBFHGGJFSA-N 286.419 3.645 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccccc21 618803366 VVUIBBNVPMADKG-MOPGFXCFSA-N 274.367 3.823 30 20 CHED CCSCc1ccccc1C(=O)N(C)CC(C)(C)C#N 353178921 CIXYYVNWIWEYEM-UHFFFAOYSA-N 290.432 3.561 30 20 CHED C=CCc1cc(CN2CC[C@H](C)[C@H](C)C2)cc(OC)c1O 536667749 PUGXWTHTAJFICF-UONOGXRCSA-N 289.419 3.607 30 20 CHED C=CCC[C@@H](NCc1c(C)cnn1C)c1ccccc1 352756720 CQALQXWLJZDFLN-MRXNPFEDSA-N 269.392 3.526 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@@H]1C(C)C)c1ccccc1 539450289 BFBNUBZGUXXVTP-GOEBONIOSA-N 257.377 3.603 30 20 CHED C=CCC1(NC(=O)c2sc(CC)nc2C)CCCC1 619103998 HYDOTDDWIJAYRU-UHFFFAOYSA-N 278.421 3.633 30 20 CHED C=C(C)CN(CCCCC#N)Cc1cnn(C(C)C)c1 352904935 VYQDJLZKUAWAEV-UHFFFAOYSA-N 274.412 3.536 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(OC)c1F 619725120 WYDWLLLFUYUPFC-UHFFFAOYSA-N 292.398 3.986 30 20 CHED CCc1c(NCc2ccc(C#N)cc2)cnn1CC(C)C 611442748 RSJYMAOXPYUBKC-UHFFFAOYSA-N 282.391 3.585 30 20 CHED CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(C#N)c[nH]1 267126090 FBNXQHSDXYPGAZ-UHFFFAOYSA-N 295.386 3.575 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 455374433 XTYRJIAXLNHHLJ-LLVKDONJSA-N 296.361 3.879 30 20 CHED C=C1CCN(C(=O)c2csc(-c3ccccc3C)n2)CC1 264483987 MKBMZVRDHWTWSY-UHFFFAOYSA-N 298.411 3.911 30 20 CHED C=CCCC(=O)Nc1c(C)cccc1OC(F)F 263962083 DYGCCBRVEYPFRY-UHFFFAOYSA-N 255.264 3.501 30 20 CHED C[C@H](NCCCC1(C#N)CCOCC1)[C@H]1CCC[C@@H](C)C1 452057909 HLGKIGFJYNNILF-IKGGRYGDSA-N 292.467 3.891 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[C@](C)(C#N)C2)c1 612122619 YQUZOWUGJPFYNO-CRAIPNDOSA-N 299.418 3.700 30 20 CHED CC(C)(NC(=O)Nc1ccc(C#N)cc1Cl)C1CC1 536580144 QAQHFKPJXMPQTP-UHFFFAOYSA-N 277.755 3.522 30 20 CHED N#CCCCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 368359464 CWCPGWRYSRIWEV-ZDUSSCGKSA-N 282.309 3.798 30 20 CHED C=CCC[C@@H](CCC)Nc1cccc2c1OCC(=O)N2 367999633 DEIQLFGMPZZLHA-GFCCVEGCSA-N 274.364 3.564 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2cccc(Cl)c2C1 458013127 LEEFFQGGBRLFFX-MRXNPFEDSA-N 277.795 3.827 30 20 CHED N#CCCCC(=O)Nc1cc(Cc2ccccc2)ccc1O 360328241 NJDVBRGGQSWUGR-UHFFFAOYSA-N 294.354 3.615 30 20 CHED C#CCCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 271035965 LWVNPLFBCNGXAS-UHFFFAOYSA-N 289.806 3.648 30 20 CHED C#CCCCC(=O)Nc1cccnc1-c1ccc(C)s1 277375156 CELNLQNJCWWPLF-UHFFFAOYSA-N 284.384 3.861 30 20 CHED CCC1(CC)CN(C(=O)Nc2cc(C)cc(C#N)c2)C1 455961741 ZHPVOIOGUKLDNI-UHFFFAOYSA-N 271.364 3.521 30 20 CHED C=C1CCN(C(=O)[C@H](CC)O[C@@H]2CCC[C@@H](C)C2)CC1 361822492 JCQIARORWJEEHI-OAGGEKHMSA-N 279.424 3.539 30 20 CHED CC(C)C(C)(C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 275818561 NNZGAHVXMPVOAX-CYBMUJFWSA-N 278.783 3.703 30 20 CHED C=CCN(Cc1ncc(-c2ccccc2C)o1)C1CC1 540056753 JWWJXMUZWFZNQK-UHFFFAOYSA-N 268.360 3.800 30 20 CHED C=C(C)CCNC(=O)c1ccc(OCCCC)c(OC)c1 452727343 YBKGRSQUNJCUBB-UHFFFAOYSA-N 291.391 3.570 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC1(c2noc(C(F)F)n2)CCC1 366537330 WTHMIUMDOZKSEG-NXEZZACHSA-N 285.338 3.577 30 20 CHED CC[C@@H](CSC)N(C)CC#Cc1ccc(Cl)cc1 540198602 IFRSHKRWIOHXHO-HNNXBMFYSA-N 281.852 3.765 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCC[C@H](CC)C1 540500341 FZTDUIIMONCGLX-JKSUJKDBSA-N 281.440 3.834 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2[nH]c(C)cc2c1 454720636 GGPVTIBXZXCWIO-UHFFFAOYSA-N 257.337 3.564 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3cc[nH]c23)cc1Cl 548288138 PALUTLWQAIUWFI-UHFFFAOYSA-N 295.729 3.945 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(C#N)cc1Cl 469975121 SPFRCJGRLBKSCM-PWSUYJOCSA-N 276.767 3.976 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@H](C)c1c[nH]c2ccccc12 278545761 NPAOTDGBNIDDLY-UGSOOPFHSA-N 297.402 3.716 30 20 CHED C=CC[C@H](CC)NC/C=C/c1ccc(F)cc1F 466387131 TUKLPZANDMWROK-DYLGSBMWSA-N 251.320 3.922 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@@H]1Cc1ccccc1 462885156 AWXLNCJSHLNQGY-SUMWQHHRSA-N 266.319 3.740 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 285089418 NATYHMQLXTWAEB-KRWDZBQOSA-N 297.358 3.837 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)NCCCC#N)c2)o1 280749899 FUJOTGWKOQIMCX-UHFFFAOYSA-N 297.358 3.989 30 20 CHED CC(C)(C#N)CCSCc1cc(F)ccc1C#N 289410067 OLYRPVGPBWWGGB-UHFFFAOYSA-N 262.353 3.870 30 20 CHED C=CC[C@H]1N(C(=O)c2ocnc2C2CC2)CCCC1(C)C 289392120 KFAWZNSVFXBTCN-CYBMUJFWSA-N 288.391 3.759 30 20 CHED C[C@H](C#N)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 467839851 PDFLKFZWRFGOOE-FBIMIBRVSA-N 297.185 3.515 30 20 CHED N#Cc1ccnc(N2CCC(=Cc3cccc(F)c3)CC2)c1 376157832 MFCXEGGCBRHAQX-UHFFFAOYSA-N 293.345 3.776 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 631654248 WJSQGNCSMUEIOS-DIECFANBSA-N 259.393 3.707 30 20 CHED N#Cc1ccc(NC(=O)C2(C(F)F)CCCC2)cc1Cl 558007975 VDGKLSWEALJAGT-UHFFFAOYSA-N 298.720 3.976 30 20 CHED CC[C@H](Nc1cc(CCOC)ccn1)c1ccc(C#N)cc1 287747943 ZBOFTWGPUVDXBO-KRWDZBQOSA-N 295.386 3.705 30 20 CHED CC(C)(C#N)Cc1nc(C(C)(C)C2=CCCCC2)no1 289091370 KLTOJWYDKDZOQL-UHFFFAOYSA-N 273.380 3.940 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCO[C@H]1CC(C)C 477194545 SAHYCOKQFHGCNZ-XHSDSOJGSA-N 296.455 3.624 30 20 CHED CC[C@H](NCCC1(COC)CCC1)c1ccc(C#N)cc1 293675781 JYIUAKMMTPISKV-KRWDZBQOSA-N 286.419 3.806 30 20 CHED CCCc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)s1 633894766 QVWJQCZNRNXRAE-NSHDSACASA-N 290.413 3.956 30 20 CHED C#CCCCNC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 806876815 DGBWZXLQNNUWDV-ZDUSSCGKSA-N 298.361 3.753 30 20 CHED C#C[C@@H](NCc1ccc(SC(F)F)cc1)C(C)C 809685010 WDVZVOJVYZEBTH-CYBMUJFWSA-N 269.360 3.749 30 20 CHED Cc1cc(Cl)cc2nc(SCCO[C@@H](C)C#N)oc12 801658128 PRDLCHDEFHTCTE-VIFPVBQESA-N 296.779 3.810 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@H](C(C)C)C1 474399496 KEDIPECDQWDIJS-INIZCTEOSA-N 281.440 3.644 30 20 CHED C=CCCc1noc([C@@H](C)[C@H]2OCCc3sccc32)n1 297290456 LSVWKSINAXRYGQ-IINYFYTJSA-N 290.388 3.667 30 20 CHED CCN(CC#N)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 290840190 YWLAGYRNZSLPJP-UHFFFAOYSA-N 278.783 3.623 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 476096117 RUHNHWWKKAHZBA-LRDDRELGSA-N 281.359 3.585 30 20 CHED C#C[C@H](NC(=O)N(C)Cc1cccc(Cl)c1)C(C)(C)C 808317511 UQHNLLLTOKPPDE-AWEZNQCLSA-N 292.810 3.529 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](C)c1nc(CC)no1 298075493 JSSUHMGJVOXINQ-LBPRGKRZSA-N 289.354 3.520 30 20 CHED C=CCCCCCCNC(=O)NCC[C@H]1CCO[C@H](C)C1 805277430 BSHUWPXUQQIJCK-CVEARBPZSA-N 296.455 3.627 30 20 CHED C=C(CNC(=S)N[C@H](C)c1ccccc1)c1ccccc1 806592415 ACMZXPRRDAQKCM-OAHLLOKOSA-N 296.439 3.925 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1cn(C)c(C)n1 800815203 PHAWGSUVUKIGRD-UHFFFAOYSA-N 297.280 3.550 30 20 CHED CN(C(=O)c1cccc2c1CCCC2)c1ccccc1C#N 297781927 MLXODNLNFYVZLT-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 565535900 WCSNTXOBPZGZKP-FRFSOERESA-N 276.424 3.791 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1cc(C)ccc1OC 477001669 MGOYDKGPTMHRRN-GFCCVEGCSA-N 279.405 3.640 30 20 CHED CCCCCCCC(=O)Nc1cccc(NC(=O)NC)c1 298183225 GLZNVRCYOIWASO-UHFFFAOYSA-N 291.395 3.737 30 20 CHED C=CCCCCS(=O)(=O)[C@@H](CC)c1ccccc1 564425335 ADDXEVRHNBYRTP-HNNXBMFYSA-N 266.406 3.909 30 20 CHED C#C[C@@H](NCc1ccc(C)o1)c1ccc(Cl)cc1F 809698989 LDWWTCAGXYLBAN-OAHLLOKOSA-N 277.726 3.845 30 20 CHED C=CCCC1(C(=O)Nc2cc(CC)ccc2O)CC1 476469452 FJNKGIOKVVOAFR-UHFFFAOYSA-N 259.349 3.640 30 20 CHED CSCc1cnc(CN(CCC#N)CCC(C)C)s1 295495313 XZGBJCYPJXFXCH-UHFFFAOYSA-N 297.493 3.768 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)Cc1ccccc1CC#N 801093839 AOXLBJFCFVQMRB-OAHLLOKOSA-N 298.430 3.722 30 20 CHED N#CCCCOC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801896405 WCOIZAHDCFROJO-NSHDSACASA-N 289.228 3.563 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(CN(C)C)cc1 568979444 MPGJFACGZWIZQH-MRXNPFEDSA-N 274.452 3.973 30 20 CHED C=C(C)CNC(=O)N1CCC[C@](C)(c2ccccc2)CC1 561714830 FYOSSVOOJUYRKW-SFHVURJKSA-N 286.419 3.716 30 20 CHED N#CCC1(OC(=O)[C@H]2C[C@@]23CCCc2ccccc23)CCC1 810854279 RIBYUGVDBCBAOC-VQIMIIECSA-N 295.382 3.660 30 20 CHED Cc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C2 564428571 XXUNDNKZWJEFDM-KSSFIOAISA-N 292.382 3.521 30 20 CHED CCC(=NNc1ncncc1Cl)c1ccc(F)cc1F 814909928 SKXZSDIYOXBUIK-UHFFFAOYSA-N 296.708 3.634 30 20 CHED Fc1cc(C=NOCCC2CC2)ccc1OC(F)F 814245543 WYNXGVMYVFDRAG-UHFFFAOYSA-N 273.254 3.578 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C)c(OCC)c1 815318910 JQWRBTSLWSYWOV-UHFFFAOYSA-N 269.291 3.544 30 20 CHED C=CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccncc1 810219790 WKCBITCBEYDLRO-RBUKOAKNSA-N 289.382 3.848 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(C)c1Cl 570168456 PWPUZMNIAGYTMN-YPMHNXCESA-N 294.782 3.504 30 20 CHED CC[C@H](C)NC(=O)[C@@H](Sc1ccc(C#N)cc1)C(C)C 488779047 FHDXJWOFUAQQLA-WFASDCNBSA-N 290.432 3.590 30 20 CHED C#CCON=C(C)CCc1ccc(OC/C=C\C)cc1 812233392 QQEBRJYOIGSMRM-AXVDSJNHSA-N 271.360 3.600 30 20 CHED CCc1nocc1C=NNc1cc(Cl)cc(Cl)c1 814913697 UKGHXPBRGMMEMR-UHFFFAOYSA-N 284.146 3.990 30 20 CHED N#CCn1c(/C=C\c2ccc(F)cc2)nc2ccccc21 485988825 WFCDEILPHALJHB-YFHOEESVSA-N 277.302 3.869 30 20 CHED C(=NNc1ncccn1)c1ccc(C2CCCC2)cc1 812224669 RWFIHEMIYJZRFB-UHFFFAOYSA-N 266.348 3.580 30 20 CHED C=C(C)CNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 488586309 YPQGZEITGMIZGG-DOTOQJQBSA-N 286.419 3.788 30 20 CHED CCCCCCCC(=O)NCc1ccc(C(=O)OC)s1 817487665 YYQAGAQSAXWBDG-UHFFFAOYSA-N 297.420 3.511 30 20 CHED N#Cc1c(C(F)F)cccc1N1C[C@@H]2CCC[C@H]2C1 574305323 ITXLBAMEMIYGJY-QWRGUYRKSA-N 262.303 3.732 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)[C@@H]1CCC[C@@H](C)C1 573181438 NXQWYMNWXDFPFA-BASYENTBSA-N 288.435 3.791 30 20 CHED C[C@@H](O)c1cc(NCc2cc(C#N)ccc2F)ccc1F 814237234 MFKSNGHCCHLMLV-SNVBAGLBSA-N 288.297 3.502 30 20 CHED CCc1nc(S[C@H](C)c2ccc(C#N)cc2)nc(O)c1C 576957200 JDSSTULZPUEVNM-LLVKDONJSA-N 299.399 3.778 30 20 CHED C=CCC1(c2nc(COc3ccccc3C)no2)CCC1 570503871 OZWDCYBDZWUAAX-UHFFFAOYSA-N 284.359 3.955 30 20 CHED CCCCCCCNC1CCC(c2nc(C)no2)CC1 813858913 LILPYGDCOTUKSI-UHFFFAOYSA-N 279.428 3.964 30 20 CHED C=CCn1c(CC)nnc1N1CC2(CCC2)c2ccccc21 570367073 LZXAUGZCMDKGFP-UHFFFAOYSA-N 294.402 3.600 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2Cc1c(C(=O)O)oc2ccccc12 659802576 ZEPZZJZPCQVVRP-BETUJISGSA-N 297.354 3.814 30 20 CHED C#CCOC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 727039984 UXPYLQLXDCJOLE-UHFFFAOYSA-N 274.316 3.653 30 20 CHED Cc1cccc(C=NNc2cccc([N+](=O)[O-])c2C)c1 727972947 MHJYLDACNDWINQ-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C=CCCCCNC(=O)NC(C)(C)c1ccccc1F 490232713 YLTITQOBZSUNNW-UHFFFAOYSA-N 278.371 3.716 30 20 CHED C=CCCC(=O)OCc1c(Cl)ccc2cccnc12 726649750 BSTSXPQOUDJXCK-UHFFFAOYSA-N 275.735 3.898 30 20 CHED C=C(C)CN(C)c1nnc(-c2ccc3ccccc3c2)n1C 669795792 OTTQGGOZHFFNQH-UHFFFAOYSA-N 292.386 3.648 30 20 CHED N#CC[C@H]1CCCN(Cc2ccnc(Cl)c2Cl)C1 826862275 XTWUUWIESWHUNS-SNVBAGLBSA-N 284.190 3.514 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)/C=C\c1ccccc1C#N)C1CC1 729441969 JPLDYPLOJPEDAV-OGYKNIHVSA-N 296.414 3.997 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(O)c(C)c2)c1 728231975 PELIJAIBRXJAJV-CLFYSBASSA-N 282.339 3.995 30 20 CHED C[C@H](CCc1ccco1)NCc1ccc(O[C@H](C)C#N)cc1 728713275 WSQKVEWPROUXLO-HUUCEWRRSA-N 298.386 3.681 30 20 CHED CCCC[C@@](C)(F)C(=O)N[C@@H](C)c1cccc(C#N)c1 829334521 HHKRVTMMUWWISU-BLLLJJGKSA-N 276.355 3.654 30 20 CHED C=CCSCCNC(=O)Nc1ccc(/C=C\C)cc1 497408516 YDCSZMMSTDDHED-HYXAFXHYSA-N 276.405 3.760 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2cc(F)ccc2Cl)c1 727972883 JIMLUIZUXHBULZ-UHFFFAOYSA-N 294.669 3.844 30 20 CHED N#Cc1ccnc(NCCc2c[nH]c3cc(Cl)ccc23)c1 587553511 OHQGNPJELBQSHY-UHFFFAOYSA-N 296.761 3.743 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCc1c(F)cccc1F 588402368 AFEQREYQPBHUIZ-HJWRWDBZSA-N 299.276 3.593 30 20 CHED Cc1csc(NC(=O)Cc2cc3ccccc3o2)c1C#N 589035270 AVPDIBSLGWWWRV-UHFFFAOYSA-N 296.351 3.856 30 20 CHED CCC(CC)NN=Cc1cc(Cl)c2c(c1)OCCCO2 734364737 DEYSJCCUDPBZCM-UHFFFAOYSA-N 296.798 3.613 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)CCCCCC#N 588652367 QAXBIBWPKAHIFA-LSDHHAIUSA-N 264.413 3.888 30 20 CHED C=CCCCOC(=O)CCOc1ccc(Cl)cc1 735529797 MOEUIUINFCOSOP-UHFFFAOYSA-N 268.740 3.618 30 20 CHED COc1cccc(/C(C)=C/C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 839054912 PFPFAELAUCAYFW-DGCDQZBQSA-N 299.370 3.724 30 20 CHED C=C(C)COC(=O)CCc1cc(Br)cs1 730647411 DJVBCMIQTKCQFG-UHFFFAOYSA-N 289.194 3.563 30 20 CHED N#CCCCC(=O)OC[C@@H]1CC[C@@H](c2ccccc2)C1 839094222 VRODCZOMAZRBGC-GDBMZVCRSA-N 271.360 3.807 30 20 CHED O=C1/C(=C/c2cnc3ccc(Cl)cn23)Cc2ccccc21 737444211 PHOGSSNTXVREID-XYOKQWHBSA-N 294.741 3.810 30 20 CHED COc1cccc([C@@H]2C[C@H](C)CN2C(=O)C#CC(C)(C)C)c1 837524726 INRILTBIQXFVCF-YOEHRIQHSA-N 299.414 3.654 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C(=O)O)c1cccc(C)c1C 901854081 YYBRTHIRYMDYQK-JGGQBBKZSA-N 275.392 3.619 30 20 CHED CSCC[C@@H](C)OC(=O)c1ccc(C(C)(C)C#N)cc1 835814374 UCJAKSFEKIRYKG-GFCCVEGCSA-N 291.416 3.786 30 20 CHED C=CCC[C@H](NCc1csc(C)n1)c1ccco1 671741956 ALAXXASUDYSVRT-ZDUSSCGKSA-N 262.378 3.842 30 20 CHED C=C(CN[C@@H](C)Cc1ccc(OC)cc1)c1ccccc1 675783138 BRZMYSDOBIOXQW-INIZCTEOSA-N 281.399 3.929 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)C#CC(C)(C)C)C1 837439522 GNGHOIJBXBPSAU-BBRMVZONSA-N 287.378 3.785 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc(F)cc1C 731314282 JDLYAOKEKDLYSC-UHFFFAOYSA-N 286.306 3.668 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C/C1CCCCC1 735469202 OZOARIBRALRKQV-ZHACJKMWSA-N 276.424 3.911 30 20 CHED Cc1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)cc1C 730149194 CSHSERWXTIIZLL-AATRIKPKSA-N 286.352 3.959 30 20 CHED COCC1CCC(=NN[C@H]2CCCCC2(C)C)CC1 834976750 HJHHUPLWFRPYAF-WUJWULDRSA-N 266.429 3.737 30 20 CHED C(=NNc1cnnc2ccccc12)c1ccc2ncccc2c1 733748220 LYRNCDVHNWLFAW-UHFFFAOYSA-N 299.337 3.624 30 20 CHED CC[C@H](C)[C@@H](OC)C(=O)Nc1cc2ccccc2cc1C#N 839437652 PBMNYCVEGAPAOX-YVEFUNNKSA-N 296.370 3.711 30 20 CHED COC[C@H](C)NN=Cc1ccccc1-c1ccccc1C 834970163 HPAKLVYCVFHDHX-HNNXBMFYSA-N 282.387 3.620 30 20 CHED Cc1c(C(=O)/C=C\c2c[nH]c(C(=O)O)c2)oc2ccccc12 832848559 GWCLPIPEZGIPPP-SREVYHEPSA-N 295.294 3.664 30 20 CHED CCCN(C(=O)c1cc(C#N)[nH]c1C)c1ccc(CC)cc1 836851645 MEBMKYFRGYOVLL-UHFFFAOYSA-N 295.386 3.814 30 20 CHED CC(=NN=C1CC[C@@H](CCC(C)C)C1)c1cnccn1 834960619 WMXVGCYGXPOZBD-CQSZACIVSA-N 272.396 3.878 30 20 CHED C[C@H]1CC2(CCOCC2)CN1c1cc(Cl)ccc1C#N 591992814 MQEMGDLAEAZURK-LBPRGKRZSA-N 290.794 3.607 30 20 CHED C#CCCCCCCOC(=O)/C=C/c1ccc(C)nc1 835714721 PIXLXAVNLVKWRO-VAWYXSNFSA-N 271.360 3.530 30 20 CHED CCCCCCCCC(=O)N(CC)C[C@@H]1CCCO1 919710883 ISOKRYGHVBTFJT-HNNXBMFYSA-N 269.429 3.765 30 20 CHED Cc1ccc(-c2n[nH]cc2C=NOCc2ccccc2)cc1 839423428 PDDGYLXRORGSCW-UHFFFAOYSA-N 291.354 3.936 30 20 CHED CCC(C)(C)OCc1ccccc1NC(=O)C#CC1CC1 837530034 PCGVUSDGIZNCKI-UHFFFAOYSA-N 285.387 3.744 30 20 CHED COCCc1cccc(-c2ccc(CC#N)c(C)c2)c1 592986515 OPGNXDJOKBQPLM-UHFFFAOYSA-N 265.356 3.917 30 20 CHED C#CCN(C(=O)CCCc1ccccc1)C1CCCCC1 743691016 IAANITNEKYJXGR-UHFFFAOYSA-N 283.415 3.804 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1cccs1 918155166 RXSXVHNEUGJYRI-RMKNXTFCSA-N 260.289 3.546 30 20 CHED CCCC(C)(C)C(=O)Nc1nc2cc(C#N)ccc2n1CC 593109411 ILIHFUSLXGSCFW-UHFFFAOYSA-N 298.390 3.693 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)CCc2c(O)cccc21 742434284 FBTQIILENMMJGF-FLIBITNWSA-N 286.277 3.883 30 20 CHED O=C(/C=C\c1ccnn1CC1CC1)c1ccc(Cl)cc1 849240454 OAQCJJZHQZWFAS-FPLPWBNLSA-N 286.762 3.843 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)N1CCC[C@H](CC#N)C1 597908251 PMOKWBQVOQCXAF-CABCVRRESA-N 276.424 3.745 30 20 CHED C#CCCCN[C@@H]1CCCc2ccc(SC)cc21 842845166 BHAZGPSWEMQMQB-MRXNPFEDSA-N 259.418 3.789 30 20 CHED CCCCCCCOC(=O)c1nc(C)n2ccccc12 741359366 VTIXHSQCZULQAI-UHFFFAOYSA-N 274.364 3.770 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 674933992 OHMKNQXVVRTLEW-CYBMUJFWSA-N 274.408 3.700 30 20 CHED CC(C)[C@@H]1C[C@H]1NC(=S)Nc1ccc(C#N)c(Cl)c1 840846117 CWWQMSPCSYRDBQ-WCQYABFASA-N 293.823 3.543 30 20 CHED CCCCCC(=NNc1cnccn1)c1ccccc1 912961315 GOMULQYFKGWTEE-UHFFFAOYSA-N 268.364 3.873 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)Oc2ccc(F)cc21 749746618 MTFCYSGQNHJDOH-NSIKDUERSA-N 276.213 3.720 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCCNc3ccccc32)cc1 595056274 UCCRGBHBTVQILX-LJQANCHMSA-N 291.398 3.637 30 20 CHED CCCC[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)C(C)C 598740254 PLNGDARIKPZWTD-OAHLLOKOSA-N 290.382 3.776 30 20 CHED CC(C)(C#N)C(=O)OCCCc1ccc(C(F)(F)F)cc1 748887345 VJVGRCYDQQQTOZ-UHFFFAOYSA-N 299.292 3.731 30 20 CHED C=CCCOCC(=O)N[C@@H](C)c1ccc(SCC)cc1 590890443 PEUGAGYJOWCFMC-ZDUSSCGKSA-N 293.432 3.569 30 20 CHED COc1cccc2cc(/C=C/C(=O)c3ccncc3)oc12 916136289 KVLBLZODBAIXHP-AATRIKPKSA-N 279.295 3.733 30 20 CHED CCCC(C)(C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 593176498 KHOAZTRPDRRDQA-CYBMUJFWSA-N 272.392 3.904 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842941343 AAIOWNHPZVCDIU-WQGACYEGSA-N 288.416 3.879 30 20 CHED O=C(O)c1ccccc1NN=C1CC(c2ccccc2F)C1 743431483 ZWJFNXMILXGQLC-UHFFFAOYSA-N 298.317 3.869 30 20 CHED CCN(Cc1cc(F)c(C(F)(F)F)cc1F)[C@@H](C)C#N 595821401 VJUOZTMRGZQICY-QMMMGPOBSA-N 292.251 3.718 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(C2CCCC2)cc1)C1CC1 598134647 JPBIDRJSFWYNDT-CYBMUJFWSA-N 282.387 3.861 30 20 CHED Cc1csc(NC(=O)N2C[C@@H](C)CC2(C)C)c1C#N 594110733 IUJKRDHYZYIRBW-VIFPVBQESA-N 277.393 3.581 30 20 CHED C=CCCCC(=O)Nc1ccccc1NC1CCC1 846436847 KOJVKSGBPVDGGG-UHFFFAOYSA-N 258.365 3.946 30 20 CHED Cc1cc(C#N)ccc1N1C[C@H](C)O[C@H](c2ccsc2)C1 846751460 FVNWTXYMPLBKRG-GUYCJALGSA-N 298.411 3.895 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CCc3ccccc32)o1 745612911 FMHHANYNACBFGD-UHFFFAOYSA-N 294.358 3.507 30 20 CHED CO[C@]1(C)CC(=NNc2ccc(OC(F)F)cc2)C1(C)C 746576735 QQZGXRLTXUQGMF-OAHLLOKOSA-N 298.333 3.891 30 20 CHED COCC#CCN[C@H](c1c(Cl)cccc1Cl)C1CC1 685587776 XJHKANQMZBVHPS-HNNXBMFYSA-N 298.213 3.684 30 20 CHED C[C@H]1CC2(CCOCC2)CN1[C@@H](C)c1ccc(C#N)cc1 592182654 NUILXTDWBWQHAS-GJZGRUSLSA-N 284.403 3.510 30 20 CHED C[C@H](CNc1snc(Cl)c1C#N)CC(F)(F)F 840371215 ODZOPXGMCHQTNL-YFKPBYRVSA-N 283.706 3.669 30 20 CHED Cc1ccc(-c2cnn(CN(CCC#N)CC(C)C)c2)cc1 748293325 TVNSENWCYAFLCC-UHFFFAOYSA-N 296.418 3.688 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(CC(C)C)c2)n(C)n1 841486532 IJYMSXXYWCMZHI-HJWRWDBZSA-N 282.387 3.823 30 20 CHED CC1CCC(=CC(=O)Nc2ccc(C#N)c(C#N)c2)CC1 741942651 GWOJJKMOBQSQRO-UHFFFAOYSA-N 279.343 3.505 30 20 CHED C=CCN1CCC(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 682376569 JIFNNCDABVEIPF-NXHRZFHOSA-N 278.484 3.687 30 20 CHED COCc1cc(N[C@@H](C)CC(C)(C)C#N)ccc1OC 926800150 WLMDBLDWSRXPAV-LBPRGKRZSA-N 276.380 3.582 30 20 CHED COc1ccc(/C=C2/COc3c(C)cccc3C2=O)cc1F 920066499 DMFPOZATSRUQKC-JYRVWZFOSA-N 298.313 3.801 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1ccc2c(c1)CCCO2 853011269 UVGYRORXHAGEPE-VOTSOKGWSA-N 296.370 3.685 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ncc(C#N)cc1C 851145384 WUXQQORAZAYKEK-CABCVRRESA-N 284.359 3.553 30 20 CHED CCCCCCCOC(=O)c1cc(NC(C)=O)ccc1F 920116383 LHWFZBDBRZYPGW-UHFFFAOYSA-N 295.354 3.911 30 20 CHED COC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccc(F)c(F)c1 925684727 COTDIYMDRZJZPY-IAQYHMDHSA-N 296.361 3.570 30 20 CHED C#CC[C@@H](N=c1cc[nH]c2ccsc12)c1ccccc1 756953321 LRJSZJOWCVFQFI-CQSZACIVSA-N 278.380 3.895 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(O)c(Cl)c1 921257483 CPDJDBRHLYTTGG-UHFFFAOYSA-N 299.761 3.840 30 20 CHED C#CCCOC(=O)N(C)c1ccc(C(C)(C)C)cc1 858915750 GWTFDVPDLJYOCD-UHFFFAOYSA-N 259.349 3.580 30 20 CHED COC(=O)c1ccc(/C=C2/CCCC(C)(C)C2=O)cc1 757535797 VWIAHBKFMZBFEY-KAMYIIQDSA-N 272.344 3.636 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1c(F)cccc1F)OCC 756478490 VKEGXQFAHQFLIK-SMDDNHRTSA-N 298.329 3.940 30 20 CHED C[C@@H]1CC(CCOC(=O)c2ccc(C#N)cn2)C[C@@H](C)C1 757068441 LEYMLHMHEBBXQD-STQMWFEESA-N 286.375 3.572 30 20 CHED CC[C@@H](NCCc1cccs1)c1cccc(C#N)c1O 924555090 VDVFFQSWLXDOPF-OAHLLOKOSA-N 286.400 3.609 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccccc2C2CC2)cc1 751126701 CIHZJZRIDPKNHG-UHFFFAOYSA-N 281.315 3.918 30 20 CHED C[C@H](ON=CC1CC1)c1nc(-c2ccc(Cl)cc2)no1 853735336 RJWXAQQWUQEEIV-VIFPVBQESA-N 291.738 3.863 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1ccccc1F 851210418 QGAUAXQSOYGFMW-VXGBXAGGSA-N 277.339 3.801 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)c2ccc(C)s2)c1 920173255 BFRUBDQNIMYLCS-LKBVRNOZSA-N 275.373 3.951 30 20 CHED Cc1ccc(F)cc1C(=O)O[C@H](C)CC(C)(C)C#N 851211188 BBEOLAITZTZPSH-LLVKDONJSA-N 263.312 3.619 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1C#N 856500687 ITRVBKRVTVXGPO-YOEHRIQHSA-N 282.387 3.662 30 20 CHED Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)c(C)c1 851214802 XJWLETVRNOJALQ-CYBMUJFWSA-N 259.349 3.789 30 20 CHED C#CC[C@@H](NC(=O)N1CCC(CC)CC1)c1ccccc1 757061749 JEOVDFJVGFTGPA-QGZVFWFLSA-N 284.403 3.583 30 20 CHED C#CC[C@H](NCc1sc(C)nc1C)c1ccccc1 756998267 UAIJQJVUKQIDOQ-HNNXBMFYSA-N 270.401 3.614 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)O[C@@H](C)C(C)(C)C#N 753628576 JTHNIUNEYUNKJI-JTQLQIEISA-N 294.420 3.844 30 20 CHED C#Cc1cccnc1N[C@@H](C)c1cc(OC)c(OC)cc1C 853161750 ZKPHHHPUCWQEJS-ZDUSSCGKSA-N 296.370 3.562 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@@H]2CCC[C@@H](C)C2)n1 750668670 VIBFNCBWRGUGEO-RAIGVLPGSA-N 276.405 3.844 30 20 CHED CC[C@H](C#N)OC(=O)/C=C/c1ccc(C(C)(C)C)cc1 753428246 KUFXDWVKBIIAJM-KUCQQTCKSA-N 271.360 3.843 30 20 CHED CC(=NN(C)[C@@H](C)CO)[C@H](C)c1ccc(CC(C)C)cc1 853365928 AJCXRGYOAWZKRY-GJZGRUSLSA-N 290.451 3.677 30 20 CHED Cc1ccc(C=NOc2ccccc2C(F)(F)F)nc1 754708738 CRHAGMHAVFRBQU-UHFFFAOYSA-N 280.249 3.822 30 20 CHED CCCCCCCC(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1 750723265 HEBXJPVNMKZMTI-ZDUSSCGKSA-N 298.390 3.803 30 20 CHED CC[C@H](C#N)Sc1nc2cc(Br)ccc2o1 863379109 OBINGDSGCJMODZ-MRVPVSSYSA-N 297.177 3.985 30 20 CHED CCC(=NN[C@H]1CCc2c(F)cccc21)c1ccc(N)cc1 863118263 SJXNXEBCDRQIQN-SFHVURJKSA-N 297.377 3.799 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(C(C)C)nc2ccccn12 933767285 HIOTVNZQKKCWCO-UHFFFAOYSA-N 298.390 3.664 30 20 CHED CCCCCCCCCOC(=O)C1(O)CCSCC1 769814426 YAFUDLNLEBANPO-UHFFFAOYSA-N 288.453 3.538 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)/C=C\c1ccco1 767979360 YLMLNYNQINYUKK-KTKRTIGZSA-N 295.338 3.837 30 20 CHED CCCCCCCNC(=O)c1cn(C(C)(C)C)nc1C 862357718 DTQQURWUWPSYHW-UHFFFAOYSA-N 279.428 3.647 30 20 CHED CCCOc1ccc(NC[C@H](C#N)CCC#N)cc1C 863390084 UUJXVJIQCDYBGI-AWEZNQCLSA-N 271.364 3.639 30 20 CHED Cc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1C#N 766492620 VSMQNQDNWAZYIO-ZSOIEALJSA-N 277.298 3.828 30 20 CHED CC(=NOC1CCCC1)c1csc(C(C)C)n1 768784540 RPTICPRZELDOFU-UHFFFAOYSA-N 252.383 3.950 30 20 CHED Cn1cc(NN=C2CCC[C@H]2c2ccc(Cl)cc2)cn1 761868158 ZMIKLUUYEKPTDS-AWEZNQCLSA-N 288.782 3.809 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNCCOCC(F)(F)F 765597765 CXFDFAASXDQTSF-LBPRGKRZSA-N 294.361 3.747 30 20 CHED CC(=NNc1ncnc2ccsc12)c1ccccc1 764842084 XKPOXYZXBAMQQH-UHFFFAOYSA-N 268.345 3.527 30 20 CHED Fc1ccc2c(c1)C(=Nn1cnc3ccccc31)CCCO2 863967533 MRICACDHUZSNTB-UHFFFAOYSA-N 295.317 3.600 30 20 CHED CCCN(Cc1ccc(O[C@@H](C)C#N)cc1)CC(C)C 768480019 WSTWVHYAFOFUAB-HNNXBMFYSA-N 274.408 3.845 30 20 CHED Cc1ccc2occ(CC(=O)O[C@@H](C#N)C(C)(C)C)c2c1 860647448 YVZZVQPCPTWWTN-HNNXBMFYSA-N 285.343 3.765 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)c1cccs1 767976631 GTWRPXHRYYLUDF-UHFFFAOYSA-N 285.368 3.906 30 20 CHED C[C@H]1CCC(=NNc2ncnc3sccc23)C[C@@H]1C 767359113 FMPIITIIIHRINK-UWVGGRQHSA-N 274.393 3.915 30 20 CHED N#C[C@H](OC(=O)CC(C1CC1)C1CC1)C1CCCCC1 1116491275 KDLSUQYPVRUNHN-INIZCTEOSA-N 275.392 3.828 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1ccc(C#N)cc1 16469854 SAVVMZFAJHYWFF-ZDUSSCGKSA-N 258.365 3.503 30 20 CHED CCCOc1ccc(CN2CCC(C#N)CC2)cc1C 876652401 CIXRHCQEZWOEQV-UHFFFAOYSA-N 272.392 3.519 30 20 CHED C=C(CC)COC(=O)Cc1csc(-c2ccc(C)o2)n1 773484201 ZVCUNQKPRZLCFF-UHFFFAOYSA-N 291.372 3.763 30 20 CHED CC[C@@H]1CCCCC1=NNc1nccnc1C(C)C 773078834 PCXMVJGWPHFJDG-GFCCVEGCSA-N 260.385 3.968 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=C1CC(C(F)F)C1 777447897 KQLRSBRTBVBAFS-AWKYBWMHSA-N 280.362 3.874 30 20 CHED CCCCCCCC(=O)NC1(C(F)(F)F)CCC1 777819166 PMIOBKRLBZNZJY-UHFFFAOYSA-N 265.319 3.948 30 20 CHED CCC[C@@H](CC)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 873504953 NAMZZCXIEHYGOG-CHWSQXEVSA-N 283.375 3.874 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1ccc(F)cn1 777447826 JYORDCUWEJKVAS-SFHVURJKSA-N 299.393 3.802 30 20 CHED O=C1/C(=C/c2cscc2Cl)Oc2cc(O)ccc21 771852047 ZHYWOWPBCACGAU-BASWHVEKSA-N 278.716 3.723 30 20 CHED N#Cc1ccc(C=NNc2ccccc2Cl)c(F)c1 772830078 HBBHKRLATCZVDG-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C[C@@H](NCc1cc(C#N)cs1)c1ccc(N(C)C)cc1 775363254 MAHBGDOXCBUPND-GFCCVEGCSA-N 285.416 3.537 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C/C(=C\C)CC 778984642 HIDLDZDBDTYLAS-WEWAMCCLSA-N 273.376 3.749 30 20 CHED CC(C)=CCC[C@H](C)CC=NNCCOC(C)C 778551139 WJOLEYUPUCITNH-HNNXBMFYSA-N 254.418 3.759 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1ccc(OC)c(C#N)c1 880880352 QRMPERDDSIFQQQ-LBPRGKRZSA-N 289.379 3.609 30 20 CHED C=CCCOCCCCC(=O)Oc1ccc(F)cc1C 775786174 RMAANYMYWFIETO-UHFFFAOYSA-N 280.339 3.803 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1cc(C)oc1C 779817754 SCUWSTSWSLRDGT-UHFFFAOYSA-N 268.320 3.609 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(F)c1F 1123402450 VKAWUCIVXAZJOI-LLVKDONJSA-N 280.318 3.927 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(Cl)cc2C)n(C)n1 789157025 VGNVTMOTZMMEGM-FNORWQNLSA-N 274.751 3.586 30 20 CHED CC1(C)COc2c(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)cccc21 1129725607 YNRWCLURVJARDW-CHWSQXEVSA-N 299.370 3.596 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1cccc(C)c1 782483720 SBBGPEOMHACOIU-WMLDXEAASA-N 276.376 3.828 30 20 CHED CCC(=NNc1ccc(OC)cn1)c1cc(C)ccc1OC 780270741 MAMYZOZVTLVNLK-UHFFFAOYSA-N 299.374 3.633 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](C)Sc1ccccn1 1120813692 KTMASPMBFSWFMI-KBPBESRZSA-N 290.432 3.519 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1cccnc1 782303367 XKPPSAHAUBBSFF-XQRVVYSFSA-N 260.296 3.526 30 20 CHED C#CCCCCCC(=O)Nc1ncccc1C(C)C 780665566 ODYQWHPVBHLYQW-UHFFFAOYSA-N 258.365 3.727 30 20 CHED N#Cc1ccc(COC(=O)CCc2ccccc2)c(Cl)c1 784186549 LWMIWVYLOVTPQQ-UHFFFAOYSA-N 299.757 3.888 30 20 CHED C=C(C)CCNCc1cc(OC)ccc1Br 395404197 DEIPRTWESHHATF-UHFFFAOYSA-N 284.197 3.514 30 20 CHED Cc1ccc2cc(C=NNc3ccc(F)cn3)ccc2n1 783516589 LSOFMHFISWKSPG-UHFFFAOYSA-N 280.306 3.523 30 20 CHED Cc1cc(COC(=O)c2cc3ccsc3[nH]2)ccc1C#N 782285441 AEXXBLABAVRUSA-UHFFFAOYSA-N 296.351 3.767 30 20 CHED C=CC[C@@H](C(=O)OCc1ccc(F)cn1)c1ccccc1 787802594 PIBWMZRWOWAXMG-MRXNPFEDSA-N 285.318 3.624 30 20 CHED N#Cc1cn(Cc2ccccc2)c2ccc(F)cc12 84868224 HVYURWHXWYQCJD-UHFFFAOYSA-N 250.276 3.700 30 20 CHED C=CCCNC(C)(C)c1ccc(Br)cc1 389852098 WOYZJQPCEARXRK-UHFFFAOYSA-N 268.198 3.850 30 20 CHED C=C1CC(c2noc(CSc3ccc(F)cc3)n2)C1 896889243 DZXNLSGTMOMDNX-UHFFFAOYSA-N 276.336 3.935 30 20 CHED CC(=NN=C1CCC[C@H](CC(C)C)C1)c1cnccn1 794513191 HSFYCOGFFLYWGJ-CQSZACIVSA-N 272.396 3.878 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(OCCC)cc1 796729745 CWWFDSXICIPDQC-UHFFFAOYSA-N 262.349 3.983 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(C(F)(F)F)cs1 892511844 KJHIDWYXRXRYPK-ZETCQYMHSA-N 278.299 3.703 30 20 CHED CC[C@H](C)COC(=O)C[C@@H](CC#N)c1ccccc1 795979975 AIUAQIQNTJIVIP-DZGCQCFKSA-N 259.349 3.663 30 20 CHED C[C@@H](OC(=O)c1occ2c1CCC2)c1cccc(C#N)c1 796963275 RUNCQPSLVAXCEI-LLVKDONJSA-N 281.311 3.558 30 20 CHED CC(C)[C@H](C=NNc1ccccn1)c1ccccc1 794470023 ALNKZCSRJABCPA-HNNXBMFYSA-N 253.349 3.919 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1C 796652755 FTTSDMOGSGMWAS-UHFFFAOYSA-N 292.382 3.971 30 20 CHED CC1(CNN=C2CCC3(CCCO3)CC2)CCCC1 793084695 RLVKINLYQJLEHS-UHFFFAOYSA-N 264.413 3.636 30 20 CHED COc1ccc([C@@H](C)C(C)=NOCCSC)cc1OC 794573648 GMPSWLHINZJAAA-NSHDSACASA-N 297.420 3.563 30 20 CHED CC(C)O[C@@H](CSCCO[C@H](C)C#N)c1ccccc1 793965446 KCCILNWFROAEHT-ZBFHGGJFSA-N 293.432 3.815 30 20 CHED CCCC1CCC(C=NNc2ncncc2F)CC1 793199200 LGLRXHSQBYMERK-UHFFFAOYSA-N 264.348 3.620 30 20 CHED CC(C)(CC(=O)OCC1(C#N)CC1)C1CCCCC1 796043206 OWADLDOIUOSCCM-UHFFFAOYSA-N 263.381 3.830 30 20 CHED COCCC1(C=NNCCC(F)(F)F)CCCCC1 794553214 ZYEGNPPYRAZPLP-UHFFFAOYSA-N 280.334 3.501 30 20 CHED C=CCc1cc(OC)cc(CN(CC)CC2CCC2)c1O 794681403 COFBFGDZLZEPQO-UHFFFAOYSA-N 289.419 3.751 30 20 CHED N#CC[C@H]1CCCN(Cc2coc3ccccc23)C1 597177044 MFXOPZOFADHRLI-CYBMUJFWSA-N 254.333 3.558 30 20 CHED Cc1ccc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc1C#N 799647679 AHKGQTGIYWOMGV-KDOFPFPSSA-N 290.366 3.700 30 20 CHED CS[C@H]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 767194354 CQUJJLUYMRCFKH-STQMWFEESA-N 289.448 3.947 30 20 CHED CN(c1ccc([N+](=O)[O-])cc1C#N)C1CCCCCC1 96523238 IKKCLRZELYZPKV-UHFFFAOYSA-N 273.336 3.625 30 20 CHED C=CCC(C)(C)C(=O)OCCCOCc1ccccc1 796464152 ZNOHLPRSOZLFMJ-UHFFFAOYSA-N 276.376 3.739 30 20 CHED COc1cc(O)ccc1C=NNc1c(C)cc(C)cc1C 1318839566 RHUYIDZXNMYHDO-UHFFFAOYSA-N 284.359 3.772 30 20 CHED CC(=NOC(C)(C)C)c1cnn(-c2ccc(C#N)cc2)c1C 1324558893 RTQCNGBRGISLBG-UHFFFAOYSA-N 296.374 3.592 30 20 CHED C#CCCCc1nnc(CSc2ccc(C)cc2)o1 1329299164 YNVMCHUHRJEXQN-UHFFFAOYSA-N 272.373 3.626 30 20 CHED Cc1cc(CN(C)Cc2cc3ccccc3[nH]2)ccc1C#N 1339287396 JUWIXBVXLNOPKQ-UHFFFAOYSA-N 289.382 3.980 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2ccc(OCC#N)cc2)CC1 1332448990 AYMUKDYMGPNERN-AWEZNQCLSA-N 284.359 3.664 30 20 CHED C=C[C@H](COC)N[C@H]1CCCc2ccc(Cl)cc21 1255019627 RVADEUXCJGWLLO-HIFRSBDPSA-N 265.784 3.508 30 20 CHED CCC[C@@H](C)N(C)c1nnc(C(C#N)(CC)CC)n1CC 1339407056 GQPRZSDNOIFUOH-CYBMUJFWSA-N 291.443 3.504 30 20 CHED C=C(CC)C(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 1348644370 ZLRMEYOHPPVQCR-AWEZNQCLSA-N 287.403 3.789 30 20 CHED N#CC[C@@H](OC(=O)[C@@H]1CSc2ccccc21)c1ccco1 1345548820 XYDFHYCUWSFRQT-TZMCWYRMSA-N 299.351 3.667 30 20 CHED C[C@H](CCC#N)CN1CC(Cc2c(F)cccc2Cl)C1 1349625031 LPTHXLYSXRKQHW-GFCCVEGCSA-N 294.801 3.893 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2cccc(F)n2)CC1 1347124707 QLLZVJCNTYTKBR-IHRRRGAJSA-N 288.366 3.859 30 20 CHED CCc1ccc(CCNC(=O)CC2(C#N)CCCCC2)cc1 1435227211 WUTLQXKJHSDOIN-UHFFFAOYSA-N 298.430 3.772 30 20 CHED CC[C@H]1CCCN(Cc2cccc(C#N)c2F)CC1 223542387 XHRMSFMQUBZJLL-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1ccsc1C#N 1527387295 JVOXLPDAPBGEHZ-RYUDHWBXSA-N 276.405 3.566 30 20 CHED Cc1ccc(CCNc2nccc(C)c2C#N)cc1C 1458480599 QLJZRLOKVJAFKR-UHFFFAOYSA-N 265.360 3.533 30 20 CHED Cc1cc(C)cc(CON=Cc2ccc(C(=O)O)cc2)c1 1600174023 KGOULTSRIGNKOX-UHFFFAOYSA-N 283.327 3.552 30 20 CHED N#Cc1cc(NC(=O)[C@H]2CC3CCC2CC3)c(F)cc1F 1532510938 HWSVOOSILRSWCS-CBINBANVSA-N 290.313 3.601 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCSc1ccc(C)cc1 1617776061 LHPSKBOYMSOGSG-AWEZNQCLSA-N 290.432 3.628 30 20 CHED CC1(C)C[C@@]1(CNc1ncccc1C#N)c1ccccc1 1612640148 JIYVYXDJRWUKIA-GOSISDBHSA-N 277.371 3.733 30 20 CHED CCC1(CNc2nccc(Oc3cccc(C#N)c3)n2)CC1 1472714225 LCTJCNSFQNQHDH-UHFFFAOYSA-N 294.358 3.743 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCSc1ccc(C)cc1 1617776062 LHPSKBOYMSOGSG-CQSZACIVSA-N 290.432 3.628 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc2c1CCC2 1621144376 CVSNQDVDWDXKDU-UHFFFAOYSA-N 270.420 3.937 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(F)c(F)c1 229676426 LFGYEHUERCXZBK-NSHDSACASA-N 266.335 3.945 30 20 CHED C=C(Cl)CN(C)[C@H](C)CSc1ccccc1 1643716331 YTGXYOMXZCQIOB-GFCCVEGCSA-N 255.814 3.852 30 20 CHED CCC[C@H]1CCCC[C@H]1CNc1nc(C)cc(C#N)n1 1651945564 GDSUCPFUQYHTDH-KBPBESRZSA-N 272.396 3.675 30 20 CHED COc1cc(Cl)c(CN2CCC[C@H](C#N)C2)cc1Cl 1658884329 YEEPCZFRNGTHSN-SNVBAGLBSA-N 299.201 3.738 30 20 CHED N#CCc1ccccc1C(=O)Nc1nc2ccsc2s1 1586564713 NNDFKXCJEPBFJB-UHFFFAOYSA-N 299.380 3.676 30 20 CHED CC(C)CCCSCc1cccc(C(=O)O)c1C#N 1591238527 FBYOYPJVZXYPBL-UHFFFAOYSA-N 277.389 3.926 30 20 CHED C[C@]1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCc2ccccc2C1 1596978435 NTAUJMPZDIORNF-LJHODMEESA-N 297.398 3.807 30 20 CHED CCCc1cccc(C=NNc2ccccc2C(=O)O)c1 1776030522 KMEBHTCPQOYKAL-UHFFFAOYSA-N 282.343 3.783 30 20 CHED C=CCCCCCN1CC2(CCCCC2)C[C@@H]1C(=O)O 1776173027 JQQSVWWFCCPRNN-OAHLLOKOSA-N 279.424 3.842 30 20 CHED CC(C[C@H]1C=CCC1)=NNc1ccccc1C(=O)O 1776031835 ZSGCQXUPOLNYBA-LBPRGKRZSA-N 258.321 3.529 30 20 CHED CC(C)(C)c1cncc(C=NNc2cccc(C(=O)O)c2)c1 1776038080 RBIHZDGJXRHIKG-UHFFFAOYSA-N 297.358 3.523 30 20 CHED C#CCCCCNCc1cccc(C(F)(F)F)c1 150729262 NAJUBCXHWAODET-UHFFFAOYSA-N 255.283 3.599 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccc(C#N)cc2F)n1 150926549 NAOFOGCZDJQXMJ-KRWDZBQOSA-N 281.334 3.742 30 20 CHED CCCCN(CC)Cc1ccc(C#N)cc1Cl 162858250 XVPYYYNBZZJXCZ-UHFFFAOYSA-N 250.773 3.834 30 20 CHED CC(C)(C#N)CCCOc1ccc(N2CCCC2=O)cc1 158119139 MZGPLAOCDMNXQT-UHFFFAOYSA-N 286.375 3.522 30 20 CHED C=CCN(CC=C)Cc1cnc(C2CCCC2)s1 158124093 CXKJROVVUDEZLU-UHFFFAOYSA-N 262.422 3.975 30 20 CHED CC[C@H](NCc1cccc(OCC#N)c1)c1ccc(F)cc1 160917276 BRVPAOJDUGBPCJ-SFHVURJKSA-N 298.361 3.969 30 20 CHED C=C[C@@H](C)NC(=O)C1CCC(c2ccccc2)CC1 153973603 MLCNOCYGEUAAMJ-IUDNXUCKSA-N 257.377 3.651 30 20 CHED N#Cc1ccnc(CSc2nc3ccccc3s2)c1 1307254791 HXNLCFNYGXVRHC-UHFFFAOYSA-N 283.381 3.855 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1cccc(C#N)c1 31091515 ZTZGJARLJXOUOT-CYBMUJFWSA-N 258.365 3.647 30 20 CHED C#Cc1cccc(NCc2cc(C)ccc2OC)c1 36813721 KUHMZUFQLDAWBU-UHFFFAOYSA-N 251.329 3.597 30 20 CHED CN(C)c1ccc(NCc2ccc(C#N)cc2)cc1Cl 37781249 XDVZEGDLWVLJQI-UHFFFAOYSA-N 285.778 3.890 30 20 CHED C=CCSCCN[C@H](CC)c1ccc2c(c1)CCO2 180454615 FJCLEAORXJWQRC-OAHLLOKOSA-N 277.433 3.581 30 20 CHED CC(C)(C#N)CCCOc1cccc2c1C(=O)CC2 295423262 YLBXWWZAEINMIU-UHFFFAOYSA-N 257.333 3.524 30 20 CHED N#Cc1ccc(N2CC[C@@H](C3CC3)C2)cc1Br 400134537 URHXDMCHHWUSDE-GFCCVEGCSA-N 291.192 3.557 30 20 CHED Cc1cc(C#N)cc(NCc2c(F)cccc2F)c1 308112247 YWDODRFDKYXLMO-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(Cl)cc1Cl 315421185 CNYLXMQMIITCIL-UHFFFAOYSA-N 285.174 3.663 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C[C@@H](C)CCC=C(C)C 522003519 FXOMQTNVTSDLOS-GJZGRUSLSA-N 264.413 3.767 30 20 CHED Cc1cccc(CN(C)c2nccc(C#N)c2Cl)c1C 488448212 MCEIDQGQTFLKAG-UHFFFAOYSA-N 285.778 3.860 30 20 CHED CCC1(CC)CCCN(c2nccc(C)c2C#N)C1 690349918 MDVMXPXXXYDYAK-UHFFFAOYSA-N 257.381 3.668 30 20 CHED Cc1nc(N2C[C@H](C)CC2(C)C)c(Cl)cc1C#N 380383682 OMMYRKGBGNWXLH-SECBINFHSA-N 263.772 3.540 30 20 CHED C#C[C@H](N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)(C)C 809781536 VLXBRXWNPSEFQQ-NEWSRXKRSA-N 298.474 3.677 30 20 CHED COc1ccc(C#N)cc1CN1CCCC[C@@H]1C(C)C 395784488 OTMWPJLYVWYRDD-MRXNPFEDSA-N 272.392 3.577 30 20 CHED CC(=NOCc1ccccc1)c1sc(C)nc1C 915215177 YQSIKFLHFFWIMI-UHFFFAOYSA-N 260.362 3.701 30 20 CHED Cc1cc(OCCN2CCC(C#N)CC2)ccc1C(C)C 57907879 IZTVXEBAMKVIOK-UHFFFAOYSA-N 286.419 3.733 30 20 CHED N#Cc1ccc(COc2c(F)cccc2F)c(F)c1 106003950 JTEPHAYAUQCKFH-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC[C@H]1CC[C@@H](C)O1 175839287 CDSJUSPDWAGOIS-NVXWUHKLSA-N 287.403 3.549 30 20 CHED CCCO[C@H]1CCCN(c2c(F)cc(C#N)cc2F)CC1 108350777 PBHSCJWQRBUECY-ZDUSSCGKSA-N 294.345 3.622 30 20 CHED CCc1ccc(/C=N/OCc2ccn(C(C)C)n2)cc1 172330187 IYUHXVSBJWCEAQ-GZTJUZNOSA-N 271.364 3.577 30 20 CHED CCCC(=O)Nc1cccc(NCc2ccc(C#N)o2)c1 119582725 WZSHQNCQLVXVBX-UHFFFAOYSA-N 283.331 3.502 30 20 CHED CCOC(=O)c1ccc(/C=C2\CCCC(C)(C)C2=O)o1 177021624 RQXKNJOSVPOQOW-ZHACJKMWSA-N 276.332 3.619 30 20 CHED C[C@H](C(=O)Nc1ccc(F)cc1C#N)c1ccccc1F 177573236 JWLBJTDQCZGLLT-JTQLQIEISA-N 286.281 3.579 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1cccc(C)c1C 119860177 KNMDZDBDSXAPJY-HNNXBMFYSA-N 257.377 3.674 30 20 CHED CCCCCCCCC(=O)Nc1cccc2c1C(=O)NC2 119498357 UXCYSJSPZDJBEJ-UHFFFAOYSA-N 288.391 3.619 30 20 CHED C#Cc1cccc(N(C)Cc2csc(C3CC3)n2)c1 135373770 NRKRWFGHEYSABL-UHFFFAOYSA-N 268.385 3.638 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(Br)o1 1347510141 FJTUEPVLKFPQDR-SNVBAGLBSA-N 298.180 3.613 30 20 CHED N#Cc1cc(Cl)ccc1NCC1(CCO)CCCCC1 301586532 VVPHPTACDPCZHI-UHFFFAOYSA-N 292.810 3.956 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H](C)c1cc2ccccc2o1 176094135 FSTRGJLPJCHKJY-CHWSQXEVSA-N 284.359 3.544 30 20 CHED C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1cccc(F)c1 174252090 DVIABQPAQOAGDZ-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED N#Cc1ccc(OCc2cccc3cccnc23)cc1F 113649669 RVAFQMNULYOSOG-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 114756912 LBRHHBAVPBGMAA-JTQLQIEISA-N 299.823 3.903 30 20 CHED Cc1nnc(Oc2ccc3ccccc3c2)c(C#N)c1C 24052657 DXWFFQSOMISXRE-UHFFFAOYSA-N 275.311 3.911 30 20 CHED C#CCCCNC(=O)C1(c2cccc(Cl)c2)CCCC1 172950130 NDPQVIQDDDKXGP-UHFFFAOYSA-N 289.806 3.681 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C)[C@H]1C 179348045 TXBOUXPUYOUDBP-WCQYABFASA-N 271.364 3.519 30 20 CHED C[C@H](Nc1snc(Cl)c1C#N)c1cccc(C#N)c1 301427945 HOZJJMNSXUOOEO-QMMMGPOBSA-N 288.763 3.713 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1F)Oc1ccccc1F 301474129 VJPDYQYGGPFUJJ-NSHDSACASA-N 288.297 3.716 30 20 CHED COc1ccc(Cl)cc1CNCC(C)(C)CCC#N 174315659 WEGPUICHPYKZOX-UHFFFAOYSA-N 280.799 3.768 30 20 CHED COc1cc(Cl)ccc1CNc1cc(F)cc(C#N)c1 600855510 FQXFDPPPTIIEIT-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1 129506923 FXWHJCYQVOVPGU-WEVVVXLNSA-N 283.283 3.505 30 20 CHED C=CCN(C)C(=O)Nc1nc(C)c(-c2ccccc2)s1 122384680 KOHDAGVIDBNQJH-UHFFFAOYSA-N 287.388 3.768 30 20 CHED C=CCCC[C@H](C)Nc1nnc(-c2ccccn2)s1 302242823 YSOVXMFLOFDIEN-NSHDSACASA-N 274.393 3.757 30 20 CHED C=CCC1(C(=O)Nc2ncc(C(C)C)s2)CCC1 188227849 KTZYUXPPIJZMAM-UHFFFAOYSA-N 264.394 3.951 30 20 CHED C=CCn1c(SCCc2ccc(C)cc2)nnc1C1CC1 126771037 KWTFTQJCULHBLI-UHFFFAOYSA-N 299.443 3.985 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)cc2C)n1 186259069 ZPWFSYCHVHERNK-LJQANCHMSA-N 291.398 3.907 30 20 CHED C=CCC(C)(C)CNc1ncnc2ccc([N+](=O)[O-])cc12 314878558 HUCDPMBXVCTFME-UHFFFAOYSA-N 286.335 3.552 30 20 CHED Clc1ccc(C#CCSC[C@H]2CCCO2)cc1 184037722 KWOBIYCTCRGUJZ-CQSZACIVSA-N 266.793 3.604 30 20 CHED N#Cc1cccc(CN[C@H]2CCCCC23CCCC3)n1 602673653 AIYYPCIQOVGKGZ-INIZCTEOSA-N 269.392 3.546 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(C)(C)C1 358891922 AKKWXIMNDPFLST-CYBMUJFWSA-N 256.349 3.632 30 20 CHED COc1ccsc1C(=O)/C=C/c1cccc(C#N)c1 184770193 BGQCKTDMTUMWCZ-AATRIKPKSA-N 269.325 3.524 30 20 CHED C=CCC1(C(=O)N2Cc3ccc(C(C)=O)cc3C2)CCCC1 412546675 NRRDVBOQOBWYMA-UHFFFAOYSA-N 297.398 3.868 30 20 CHED C=CCc1ccccc1OCCc1scnc1C 505690596 TVXSPKAZPBMTOX-UHFFFAOYSA-N 259.374 3.802 30 20 CHED C=CCCC(=O)N1CCC[C@@]1(C)Cc1ccccc1 184003388 KVRGEWGQRSKCNS-KRWDZBQOSA-N 257.377 3.576 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@H](C)c1ccccc1C 410828626 OFUHCHZQWGNPQA-LSDHHAIUSA-N 272.392 3.639 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)cc(Cl)c1 180417092 XKUCIIZZPLQYOH-UHFFFAOYSA-N 258.148 3.642 30 20 CHED C=C(C)CN1CCC(NCc2ccc(Cl)cc2F)CC1 189325801 NTAWQYNMMJVIDE-UHFFFAOYSA-N 296.817 3.609 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc(C)c(C)s1 187236990 DEYAVNCDLLVRAE-UHFFFAOYSA-N 285.368 3.629 30 20 CHED C=CCCCSCc1ccc(S(=O)(=O)CC)cc1 419404779 GSHZEUWPQRZPAA-UHFFFAOYSA-N 284.446 3.680 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C)cc1SC 417240665 MGJATXLLSHGBGM-UHFFFAOYSA-N 264.394 3.805 30 20 CHED C=CCNC(=O)[C@H](C)Sc1ccc(Cl)c(Cl)c1 79011892 WAJAZMUMCUMYCO-QMMMGPOBSA-N 290.215 3.776 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(OC(F)F)c1 187708362 NLBBHWIFEBOHJD-OAHLLOKOSA-N 283.318 3.507 30 20 CHED N#CCc1cccc(NCc2ccc3cnccc3c2)c1 313438112 OZQIKCYMGVOEDC-UHFFFAOYSA-N 273.339 3.913 30 20 CHED CCc1oc2ccccc2c1C(=O)N[C@](C)(C#N)C(C)C 125740555 BFEGYGBQSYNYBZ-QGZVFWFLSA-N 284.359 3.663 30 20 CHED Cc1cnc([C@@H](C)NCc2ccc(Cl)cc2C#N)s1 187525977 GAUPWYGCFAPKBB-SNVBAGLBSA-N 291.807 3.827 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1sc(C)nc1C 123120215 ANNVZUOFGGLTEE-HNNXBMFYSA-N 299.399 3.512 30 20 CHED C=CCC[C@@H](C(=O)Nc1cccc(CO)c1)c1ccccc1 189049427 QHSMCWJWWFDLRK-GOSISDBHSA-N 295.382 3.867 30 20 CHED C=CCOCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 319350974 MTIXSAIZNHXMBK-IBGZPJMESA-N 297.398 3.577 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 413103681 LOYXZMRGDOOCPW-CVEARBPZSA-N 299.418 3.572 30 20 CHED C=CCC[C@@H](NC(=O)c1ccncc1)c1ccccc1 133794531 DRDBYGMYSQUCNR-MRXNPFEDSA-N 266.344 3.519 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccc(C#N)s1 181117816 IBGXTCCGBWONCK-LLVKDONJSA-N 283.356 3.523 30 20 CHED Cc1cccc(C)c1CCNCc1cc(C#N)cs1 132697705 NGWGTAQRBMKKAY-UHFFFAOYSA-N 270.401 3.569 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C=C2CCC2)n1 88817887 JYSLSTACCLTXSL-NSHDSACASA-N 260.362 3.553 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)[C@]1(C#N)CC12CCCC2 410839391 CCHNMJHKHNUAJE-KBXCAEBGSA-N 288.435 3.888 30 20 CHED C[C@]1(/C(O)=N/[C@@H]2C[C@H]2C2CCCCC2)CCC(O)=NC1 328667674 KZQJNXSHQMSAHG-ZENOOKHLSA-N 278.396 3.668 30 20 CHED Cc1cccnc1[C@H](NCc1ccc(C#N)c(F)c1)C(C)C 192106377 QGSDCMCXVSBOEP-QGZVFWFLSA-N 297.377 3.888 30 20 CHED C=CCCC[C@H](C)NC(=O)C1C[C@@H](C)C[C@H](C)C1 504571139 RJPAWHGUUUUDGF-IHRRRGAJSA-N 251.414 3.920 30 20 CHED COc1ccc(Cl)c(N[C@H]2CCC[C@H](C#N)C2)c1 193270481 ABKUPDONAUFGDW-QWRGUYRKSA-N 264.756 3.843 30 20 CHED C=CCC1(C(=O)N2CCC[C@H]3CCCC[C@H]32)CCC1 191848582 CNVNXWJMHKDLAN-HUUCEWRRSA-N 261.409 3.914 30 20 CHED C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)C1CCCC1 610521461 RZMAANGMZCEDGR-CYBMUJFWSA-N 264.413 3.601 30 20 CHED C#CCCCNCc1ccc(Cl)cc1Br 178167995 KDJHHZANJWGVRH-UHFFFAOYSA-N 286.600 3.606 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(C#N)c(C#N)c1C)C(C)C 421562833 WCCHNEWOPBTYEP-CQSZACIVSA-N 283.375 3.749 30 20 CHED C=C[C@H]1CCCCN1Cc1cccnc1C(F)(F)F 528480941 MSGXQHZYAPBMSR-LBPRGKRZSA-N 270.298 3.641 30 20 CHED C#CCCCC(=O)N(C1CCC(CC)CC1)C1CC1 192137065 CTIHVBNOXLQOKQ-UHFFFAOYSA-N 261.409 3.750 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CC[C@H](C)c1ccccc1 132120919 PUDFUOKULKTRND-CABCVRRESA-N 272.392 3.578 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(C)nc2ccccc12 44764747 UNVGHENPOLJHTN-UHFFFAOYSA-N 281.359 3.812 30 20 CHED C=C(CNC(=O)N1C[C@H]2CCCC[C@@H]2C1)c1ccccc1 512682268 UNDAWLWSCSBWIM-IAGOWNOFSA-N 284.403 3.531 30 20 CHED CC1(C)CN(c2ccc(C#N)c(Cl)c2)CCS1 81032581 ZQXLVLILWFDKDU-UHFFFAOYSA-N 266.797 3.543 30 20 CHED CCSc1ccc(CC(=O)Nc2cccc(C#N)c2)cc1 337317614 FVHWPAGRAJORMU-UHFFFAOYSA-N 296.395 3.851 30 20 CHED N#CCN(Cc1ccc(-c2ccccc2)s1)C1CC1 511978791 OUJKXCMFNQADAI-UHFFFAOYSA-N 268.385 3.903 30 20 CHED Cc1cnc(N/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)o1 330010122 GSCCCJLJUPRQLR-RWMBFGLXSA-N 277.368 3.668 30 20 CHED C#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1F 192266890 FCGIYBKQCOYQEE-UHFFFAOYSA-N 273.229 3.587 30 20 CHED CC[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1CCCC1 333830003 KYXHJEAQQKCAMR-RHSMWYFYSA-N 274.408 3.545 30 20 CHED C=CCC1(c2nc(-c3ccc(SC)cn3)no2)CCC1 420513467 KBZGTSOGWBPDMH-UHFFFAOYSA-N 287.388 3.851 30 20 CHED COc1ccc(C#N)cc1CNC(C)(C)c1ccccc1F 429249843 CUVNVGXHVGVEOD-UHFFFAOYSA-N 298.361 3.731 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ncccc1C(F)(F)F 93101107 DGZKHEOCMGPQEH-UHFFFAOYSA-N 299.340 3.862 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1Cc1ccc(C#N)cn1 517387279 BEBDDPXIJJESNB-MAUKXSAKSA-N 291.398 3.721 30 20 CHED N#Cc1cccc(CSc2cccc(O)c2)c1F 230720927 SFKFEXJPBLDWGQ-UHFFFAOYSA-N 259.305 3.695 30 20 CHED N#CCCCOc1cccc(CNCc2ccccc2)c1 237820061 UKRNXSQEWGPKFG-UHFFFAOYSA-N 280.371 3.659 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C(F)F)cc1 335814670 UERNEYTWUKATTF-ZDUSSCGKSA-N 265.303 3.805 30 20 CHED COc1ccncc1CN[C@@H](CCCC#N)c1ccccc1 433015789 LWAODAAUNZPATJ-KRWDZBQOSA-N 295.386 3.615 30 20 CHED C=CCCS[C@@H](C(=O)N(CC)CC)c1ccccc1 339091258 QNWFSFBPNMTMLO-OAHLLOKOSA-N 277.433 3.905 30 20 CHED CC(C)(C#N)CCCCn1nc(C#N)c2ccccc21 432480726 WQUCQCTYLRZUQI-UHFFFAOYSA-N 266.348 3.628 30 20 CHED C[C@@H](CCNC(=O)Nc1cccc(C#N)c1)c1ccccc1 96707384 KIEXGYBIACVEPK-AWEZNQCLSA-N 293.370 3.874 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCC(CC)(CC)CC1 438423152 DFDFTUSDXYVDMW-MRXNPFEDSA-N 281.440 3.644 30 20 CHED CC[C@@H]1CCCN(CCCC2(C#N)CCOCC2)CC1 337194871 VOVSMJZVJVGIAN-MRXNPFEDSA-N 278.440 3.599 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N(C)C[C@H](C)C#N 522391482 BFCOSYLTJCEOEV-ZBFHGGJFSA-N 278.440 3.847 30 20 CHED N#Cc1cccc(CN[C@@H](c2cccs2)C2CC2)c1 50499388 GVCDLUVAUOYWEL-MRXNPFEDSA-N 268.385 3.861 30 20 CHED CCC(CC)c1cc(CNC(=O)C(C#N)(CC)CC)on1 528661729 KOHZXNPQCVQDIV-UHFFFAOYSA-N 291.395 3.524 30 20 CHED C=CCn1cccc1-c1nc(-c2cc(C)oc2C)no1 347157169 UFZHFOQYEFHDAI-UHFFFAOYSA-N 269.304 3.601 30 20 CHED C=C(C)COc1cccc(N[C@@H](CCC)C(=O)OCC)c1 439595403 JXBIDIZAVYLCLW-INIZCTEOSA-N 291.391 3.785 30 20 CHED Cc1csc(-c2cccc(NC(=O)CC(C)(C)C#N)c2)n1 345897506 MPFYXEGMMPATKA-UHFFFAOYSA-N 299.399 3.997 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Cl)cc2cccnc12 341642964 CWAPBPFSHDLNNY-ZDUSSCGKSA-N 288.778 3.973 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(Cl)c(C)c1 435731133 IJPRVTGVLBXGFW-GDBMZVCRSA-N 279.811 3.719 30 20 CHED C=CCCN(C)C(=O)c1ccc(N(C)CCCC)cc1 344288043 RBOABHHSHMKFOK-UHFFFAOYSA-N 274.408 3.571 30 20 CHED CCO[C@@H](CCNc1nccc(C)c1C#N)C1CCCC1 343516346 VKRWEMBQGUSPRP-INIZCTEOSA-N 287.407 3.659 30 20 CHED CCCc1ccc(C(=O)N2CCc3cc(C#N)ccc32)s1 601632258 FZVHLQNMUPAEGA-UHFFFAOYSA-N 296.395 3.775 30 20 CHED C=CCC[C@H](N[C@H]1C[C@H](OCC)C12CCC2)C1CC1 438980454 RZMHSOGMHAJHEI-JYJNAYRXSA-N 263.425 3.669 30 20 CHED C=C(CNCc1cccc2c1OCCCO2)c1ccccc1 340437565 WPJFMEKSBRFXIQ-UHFFFAOYSA-N 295.382 3.651 30 20 CHED CC[C@@H](C)CCC(=O)N(CCC#N)C(C)(C)CC 343757124 NDAWDVFWFRGUNG-CYBMUJFWSA-N 252.402 3.744 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)NCC1(CC#N)CC1 430755172 PNQMYOCCBUXLOI-INIZCTEOSA-N 274.383 3.676 30 20 CHED CSc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 254846675 ZWXMLXFFEHWMAM-UHFFFAOYSA-N 282.372 3.731 30 20 CHED CCC[C@@H](C)CC(=O)N(CC#N)c1ccc(F)cc1C 602388288 ZQIPMELAUJCVOV-GFCCVEGCSA-N 276.355 3.817 30 20 CHED C=CCCC(=O)N1CCCc2cc(Cl)cc(C)c21 524228281 IRNNGGYFNIEGLI-UHFFFAOYSA-N 263.768 3.894 30 20 CHED CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)[C@H]1CCC#N 603924034 WSMBTAJOIUPINC-JTQLQIEISA-N 296.157 3.636 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)CCc1c(F)cccc1F 449546916 FOQQMOKWMZHJPT-JLZZUVOBSA-N 295.373 3.609 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)CCC#N)C(C)(C)C 345915754 VRZWIXLDAVHFFZ-LBPRGKRZSA-N 252.402 3.505 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1c1nc(-c2cccc3[nH]ccc23)no1 346024630 LRVYIURSZUMFSD-HIFRSBDPSA-N 295.342 3.667 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@H](C)c1ccco1 528863471 JGJPFEVNKCEMRG-LLVKDONJSA-N 268.316 3.592 30 20 CHED C[C@@H](CCC#N)CN[C@H](Cc1ccccc1)C1CC1 602555409 HLVMOGNURYIGPQ-WMLDXEAASA-N 256.393 3.537 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCC[C@@H](SC)C2)CC1 356111415 DFCIGKPEXQWCBD-CHWSQXEVSA-N 267.438 3.523 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OCC)c(Cl)c1 448737011 NXYOMXMURVJTQC-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C=CCOc1ccccc1CNC1CCC(C)(C#N)CC1 449147304 GATOBVYZBGROGN-UHFFFAOYSA-N 284.403 3.813 30 20 CHED CC(C)(CN[C@H]1CC[C@H](C#N)C1)Cc1ccccc1 442860239 KWGPBHXYYCKUAO-HOTGVXAUSA-N 256.393 3.537 30 20 CHED C=C(C)[C@@H](CC(=O)NCC1CCC(CC)CC1)OCC 533676833 XMBRGTRGEBDFGX-UYSNPLJNSA-N 281.440 3.690 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 449202391 FZVWWTOOOASEGB-ZJIFWQFVSA-N 263.425 3.669 30 20 CHED C=CCOc1ccc(CN2CCC(F)(F)C2)cc1Cl 538493574 SGZPMBKLHYQXGC-UHFFFAOYSA-N 287.737 3.746 30 20 CHED C[C@@H](CCC#N)N1CCC[C@@](C)(c2ccccc2)C1 351406186 DCVURIRIVJTMBU-DOTOQJQBSA-N 256.393 3.732 30 20 CHED CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cc(C#N)cs1 355204747 HXJNNRQIRHQYJN-HUUCEWRRSA-N 292.448 3.645 30 20 CHED C=C(C)CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 352854607 UQNZRSWDGJUQTB-UHFFFAOYSA-N 295.308 3.557 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H](C)C2CCC2)cc1 356545726 KUWXERHUBVTDGD-CYBMUJFWSA-N 273.376 3.512 30 20 CHED C=C(CC)CN(CC)[C@H](COC)Cc1ccccc1 538002627 PGAHOVVEOBRYMG-KRWDZBQOSA-N 261.409 3.532 30 20 CHED Cc1ccccc1C[C@H]1CCCN1CCC(C)(C)C#N 539567249 FITMGYHGLBYJSD-QGZVFWFLSA-N 270.420 3.942 30 20 CHED C=C(C)CCN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 351732888 VIRUXHXGSLZDJK-JTQLQIEISA-N 289.345 3.679 30 20 CHED CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)nc1 352187084 BWEXKEFITPTRAU-ZDUSSCGKSA-N 293.370 3.568 30 20 CHED C=CCOCC(=O)Nc1ccc(SC2CCCC2)cc1 532935475 LCCCCHNRMWRNQP-UHFFFAOYSA-N 291.416 3.862 30 20 CHED C=CCCCC(=O)N[C@H]1c2ccccc2CC[C@@H]1C 539796414 TUGBAXADIPMCOB-SUMWQHHRSA-N 257.377 3.783 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(F)cc(F)c1 618742284 VUVDMKLLNBFNBP-QGZVFWFLSA-N 284.309 3.614 30 20 CHED C[C@@H](S[C@H](C#N)Cc1ccccc1)C(=O)OC(C)(C)C 619466364 UYVLJRJXWHMIHM-OCCSQVGLSA-N 291.416 3.585 30 20 CHED C=CCN(C(=O)C[C@H](C)c1c(C)n[nH]c1C)c1ccccc1 615002296 MRDRKAAHZLXIEB-ZDUSSCGKSA-N 297.402 3.739 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C/c1cccs1 264089286 RTZNEPLNBMSKNU-VOTSOKGWSA-N 276.405 3.550 30 20 CHED C=CCN(CC=C)Cc1ccc(OCC(F)(F)F)cc1 615455464 ORUXQBBVXOBGKY-UHFFFAOYSA-N 285.309 3.802 30 20 CHED CC(C)c1ccc(Cn2cnc(C#N)c2C#N)c(C(C)C)c1 613321470 UFCRYZOFIVNVDB-UHFFFAOYSA-N 292.386 3.922 30 20 CHED C=CC(C)(C)C(=O)NCC(F)(F)c1ccc(Cl)cc1 451716773 YHBZNNZGUWLQRR-UHFFFAOYSA-N 287.737 3.760 30 20 CHED C=CCC1(C(=O)N2CC[C@H](OCC)[C@@H](C)C2)CCCCC1 452861165 LUDOCSAWZTVWHU-HOTGVXAUSA-N 293.451 3.787 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@H](C#N)C1 618903829 AEKUGLPYPOSKCW-GXTWGEPZSA-N 282.309 3.829 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 612239028 FBUHTMJOJREJAY-OWCLPIDISA-N 276.424 3.729 30 20 CHED CC(C)(CCC#N)CN=c1[nH]c2cccc(F)c2s1 450529612 WAZYWJFPSBIYIG-UHFFFAOYSA-N 277.368 3.599 30 20 CHED COCCC(C)(C)CN[C@@H]1CCCc2cc(C#N)ccc21 612829407 BTMRXENQPRZLTG-QGZVFWFLSA-N 286.419 3.588 30 20 CHED C[C@H](O)c1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 271938460 NVOHSYWFEBAQAV-STQMWFEESA-N 298.361 3.601 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCC[C@@H](CC)C1 540500329 FZTDUIIMONCGLX-CVEARBPZSA-N 281.440 3.834 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cc(C)cc(C#N)c1 455959901 VZILWWLCLIOVPN-CYBMUJFWSA-N 273.380 3.909 30 20 CHED CC#CCCCC(=O)Nc1cc(F)ccc1NC(C)C 274625565 QMHIMSQYHMIMKQ-UHFFFAOYSA-N 276.355 3.778 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1cccc(C2CC2)c1 455118752 OMZXFVLBHSPTHF-ZDUSSCGKSA-N 272.392 3.890 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 362507536 AYIBCPUHYILNLC-JQHSSLGASA-N 294.398 3.641 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CC#N)CC1 541024149 KTZAYLSLEORKSA-ZDUSSCGKSA-N 287.363 3.590 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1ccc(F)cc1C 455524662 BTQAIPMCTLIKAX-INIZCTEOSA-N 290.382 3.947 30 20 CHED CC(C)(C)SCCSc1cccc(C#N)n1 278796494 NBJWETBDWMUTSQ-UHFFFAOYSA-N 252.408 3.577 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1CCc2ccccc21 361022344 LJDCXBLQWLQDRT-CYBMUJFWSA-N 266.319 3.839 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](C)c1sc(C(C)C)nc1C 270350985 PUYWPUKTAIORRL-KBPBESRZSA-N 296.480 3.895 30 20 CHED C=CCCC[C@H](C)NC(=O)N1[C@@H](C)CC[C@H]1CC 540569084 PVAACQACAKQIEQ-MELADBBJSA-N 252.402 3.704 30 20 CHED C=CCN(C(=O)Nc1ccc2c(c1)CC(C)(C)O2)C1CC1 271386257 JFFPKFTWAAQQPZ-UHFFFAOYSA-N 286.375 3.582 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)C[C@@H](C)C#N)CC2 275336456 GSUHPPXEZXZRKV-SUMWQHHRSA-N 299.418 3.598 30 20 CHED Cc1ccc(C(C)(C)CC(=O)NCC(C)(C)CC#N)cc1 457984492 DCJPOFZJKFMFQD-UHFFFAOYSA-N 286.419 3.719 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](CC)OC1CCCCC1 466525998 ANFBXFZVPQDMAS-DZGCQCFKSA-N 267.413 3.585 30 20 CHED C=CCN(C(=O)[C@@H](C)c1c(F)cccc1F)C(C)(C)C 622944926 KXGBKSBKBCCOHS-NSHDSACASA-N 281.346 3.881 30 20 CHED CC(C)c1ccc(Cc2noc(-c3cc(C#N)c[nH]3)n2)cc1 545614603 PTPDBVZNYSHTPT-UHFFFAOYSA-N 292.342 3.651 30 20 CHED CCCCCCCC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 378089637 MRQYWZCLTNMOBZ-RDJZCZTQSA-N 293.451 3.907 30 20 CHED C=CCC1(c2nc([C@@H](C)c3ccco3)no2)CCC1 621795707 OJJAWNBOXHNMFS-NSHDSACASA-N 258.321 3.812 30 20 CHED CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1 544398437 CLQCUBMOTFYSFZ-CQSZACIVSA-N 290.794 3.862 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1ccc(C#N)c(F)c1 463899438 WQFDZKXPKAXWEW-UHFFFAOYSA-N 277.343 3.597 30 20 CHED C=CCN1CCC(N[C@H](CC)c2cc(C)ccc2C)CC1 623889053 BPVGEHQZHOXWDG-LJQANCHMSA-N 286.463 3.995 30 20 CHED C=CCCC(C)(C)NC(=O)CC(O)(CCC)CCC 620858878 RMRFDCZQXILZIU-UHFFFAOYSA-N 269.429 3.569 30 20 CHED C[C@H](C(=O)NC[C@H](C)c1ccccc1)c1cccc(C#N)c1 461762787 MZQCJWPIXQVUNH-GJZGRUSLSA-N 292.382 3.582 30 20 CHED CC[C@H](C(=O)N(C)c1cccc(C#N)c1)c1ccc(F)cc1 558633876 JIGKSIVFIQPHNU-KRWDZBQOSA-N 296.345 3.854 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(F)c(F)c1 280650624 OEUVHJHKPAXUGC-FFSVYQOJSA-N 281.346 3.597 30 20 CHED C[C@H](COCc1ccccc1)CSCC1(C#N)CC1 1332447685 HFQIXJWUPKLRMV-CQSZACIVSA-N 275.417 3.876 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 467991213 VVJHTTFTSJOJKF-QGZVFWFLSA-N 286.375 3.886 30 20 CHED CN(c1cc(C#N)ccn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 289098548 PIOVAIRMQNOQKS-TXEJJXNPSA-N 283.297 3.511 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@@H]1[C@@H](C)CCC 558455934 NIFPBFPRYTTXTC-LSDHHAIUSA-N 290.455 3.993 30 20 CHED CN(Cc1ccc(C#N)cc1)[C@H]1C=CCCCCC1 556105188 UBBVDANAQVQDCK-KRWDZBQOSA-N 254.377 3.879 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(OC(C)C)c1 557046255 SDYCSECHHAPCLD-MRXNPFEDSA-N 274.364 3.661 30 20 CHED C[C@@](C#N)(NC(=O)c1ccc2cc[nH]c2c1)C1CCCCC1 555904447 NRPVNNVKLHFLBT-SFHVURJKSA-N 295.386 3.760 30 20 CHED C=CCC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccco1 285537215 BYCCPXQTQKEZTA-HNNXBMFYSA-N 286.331 3.985 30 20 CHED C[C@H](SCCOC1CCC1)c1ccc(C#N)cc1 289352600 HAKNNWRKATYUHZ-LBPRGKRZSA-N 261.390 3.922 30 20 CHED C=CCC(F)(F)c1nc(C2(CC)CCCC2)no1 559986960 QUONLDYCVQGXDW-UHFFFAOYSA-N 256.296 3.959 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H]1CCOc2c(F)cc(F)cc21 809177015 AVTXMYJYSZKTPK-CJNGLKHVSA-N 296.313 3.934 30 20 CHED CC(C)SCC/N=C\c1cc(Cl)ccc1O 804599519 ZSUJLXOLSYMDGB-ZSOIEALJSA-N 257.786 3.606 30 20 CHED C=CCN(CCC#N)C(=O)c1oc2c(C)ccc(C)c2c1C 292572502 YBNDHRCWTVAEIM-UHFFFAOYSA-N 296.370 3.900 30 20 CHED C=CCCC1(C(=O)N2CCOC3(CCCCCC3)C2)CC1 476327464 OKHZMTMSLHEJTR-UHFFFAOYSA-N 291.435 3.685 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 476160875 REBZQCWLJZNFIY-RBSFLKMASA-N 261.409 3.818 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CC 293362947 KBSKPHQDMGBEDL-ZDUSSCGKSA-N 299.418 3.836 30 20 CHED N#Cc1ccccc1/C=C/c1nc(C2CC(F)(F)C2)no1 296553869 TVAAAXIBSLOHEI-AATRIKPKSA-N 287.269 3.624 30 20 CHED Cn1cc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)cc1C#N 293390816 KQGUOSPIGPYRRS-HDJSIYSDSA-N 299.805 3.586 30 20 CHED C=CCCC(=O)Nc1ccc2cc(OC)ccc2c1 804306011 LPGODJMXDBEFIS-UHFFFAOYSA-N 255.317 3.753 30 20 CHED Cc1cc(CNc2cccc(C(F)F)c2C#N)nc(C)n1 563426401 LPVIMWMSRIIHDR-UHFFFAOYSA-N 288.301 3.515 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N(C)[C@@H](C)C#N)cc1 297966215 VMNUMLMSKCAKFQ-KBPBESRZSA-N 272.392 3.674 30 20 CHED C=CCCCCNC(=O)N1C[C@@H](C)CCC[C@H]1C 472832312 ICQMMFABPMNTRG-UONOGXRCSA-N 252.402 3.563 30 20 CHED COc1ccc(/C=C/C(=O)c2cncc(C)c2)c(C)c1OC 806572669 MODFCIFJOOKIFC-FNORWQNLSA-N 297.354 3.612 30 20 CHED CCc1nc(C(C)C)ccc1CN(CC)CCC#N 292673336 BGYNXAJLVAXIRL-UHFFFAOYSA-N 259.397 3.503 30 20 CHED Cc1nc(N2CCC(n3c(C)ccc3C)CC2)ccc1C#N 291692132 SPIFAIMWXMJULR-UHFFFAOYSA-N 294.402 3.522 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCn3c(cc4ccc(Cl)cc43)C2)C1 293974643 DGODYJSBMBKQFC-IUODEOHRSA-N 299.805 3.803 30 20 CHED C=CCCCCNC(=O)c1cc(C)c(CC)s1 471664970 BPMXYXZAJQYAKQ-UHFFFAOYSA-N 251.395 3.705 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccnn2C(C)C)cs1 291321251 DQMJNCLADLJVTR-AATRIKPKSA-N 289.404 3.940 30 20 CHED Cc1nc2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2o1 294615941 YHPLIWJWDRQRRW-QGZVFWFLSA-N 295.342 3.549 30 20 CHED N#Cc1c(N[C@@H]2CC[C@@H](F)C2)cccc1C(F)F 567915478 TWMYLHDTMWBNND-RKDXNWHRSA-N 254.255 3.798 30 20 CHED C[C@H]1CC(=NOCC2CC2)c2ccsc2S1 814244143 GAAQGRCHBCIFRI-QMMMGPOBSA-N 253.392 3.763 30 20 CHED Cc1csc(NC(=O)NCCC2=CCCCC2)c1C#N 563853787 FQVXRHOGKYXULR-UHFFFAOYSA-N 289.404 3.940 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1 397760804 KYZAPKUZUIUMGT-CQSZACIVSA-N 293.370 3.997 30 20 CHED C=CCn1cc(CN[C@H](CCCCC)c2ccccc2)nn1 818346258 KYLRZGNDIMQYIM-GOSISDBHSA-N 298.434 3.875 30 20 CHED C=CCOc1cccc(NC(=O)C[C@H]2C=CCCC2)c1 488725249 ZZPOQKZXABHSFB-AWEZNQCLSA-N 271.360 3.936 30 20 CHED COc1cc(/C=C2/Cc3ccc(C#N)cc3C2=O)ccc1C 811697123 YFHHAOLDQKULHS-APSNUPSMSA-N 289.334 3.698 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccsc1 811689390 BXYLESOHWBDUQC-SNAWJCMRSA-N 257.289 3.655 30 20 CHED C=C(C)COc1cccc(NCc2ccnn2CC2CC2)c1 657409662 RMNBLTAJVYWNTJ-UHFFFAOYSA-N 297.402 3.860 30 20 CHED CCCCCCCCC[S@@](=O)c1cccc(C(N)=O)c1 811680269 XOPJRZZFFLZAJI-HXUWFJFHSA-N 295.448 3.644 30 20 CHED CCN(CCC1CC1)Cc1ccc(Cl)cc1C#N 481167450 CFBFZMJIORDCLW-UHFFFAOYSA-N 262.784 3.834 30 20 CHED C=CC[C@H](CC)NCc1cncc(Br)c1C 657455056 HBCQOMSOVCYPPP-LBPRGKRZSA-N 283.213 3.597 30 20 CHED C#CCON=Cc1sc(Nc2ccccc2)nc1Cl 812233622 XQGLAGJNCBVPQQ-UHFFFAOYSA-N 291.763 3.524 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(C)c1Cl 811904287 XUMOMCPYWPKGKF-UHFFFAOYSA-N 283.758 3.811 30 20 CHED Cc1ccc(CCC=NNc2ccc(F)c(F)c2F)cn1 814946878 ZXCTTYIZYRDDQR-UHFFFAOYSA-N 293.292 3.838 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCCCS1 810768862 XSGFKVRFZHLLKJ-AWEZNQCLSA-N 269.454 3.915 30 20 CHED CCCC(=NNc1ccccc1F)c1cccnc1 814792373 PPHDNQJUICCZAH-UHFFFAOYSA-N 257.312 3.837 30 20 CHED C=CCN(CCC#N)Cc1c(C)nn(CCCC)c1Cl 814171098 KOYLBHYPWKPJBG-UHFFFAOYSA-N 294.830 3.547 30 20 CHED C=CCCCCCCCNC(=O)c1ccc2nccn2c1 811590875 POLXRXFNKDIVLG-UHFFFAOYSA-N 285.391 3.591 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(Br)o1 814885138 OISTVJBNUWQRKD-UHFFFAOYSA-N 297.127 3.936 30 20 CHED C#CCCCCCC(=O)Nc1cnc(C(F)(F)F)cc1C 813275419 GVSFWIAUFJQXBD-UHFFFAOYSA-N 298.308 3.931 30 20 CHED O=C(/C=C/c1cnn(CC(F)F)c1)c1ccc(Cl)cc1 814186951 VFLFQNBYHSPYBM-LZCJLJQNSA-N 296.704 3.698 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)OCCC(C)(C)C#N 815352744 AMPSKYYGIFFHBE-UHFFFAOYSA-N 288.391 3.864 30 20 CHED CN(CCc1cccs1)Cc1ccc(Cl)cc1C#N 480559293 UFRWXJWEFDVSKZ-UHFFFAOYSA-N 290.819 3.948 30 20 CHED C=CCC(CC=C)C(=O)OCc1oc(C(C)C)nc1C 813226100 BNUCGUKJNQCFHE-UHFFFAOYSA-N 277.364 3.918 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C(C)C)cc1 814697193 CLPVOGFHUFZCES-UHFFFAOYSA-N 253.292 3.960 30 20 CHED C#CCNC(=O)C(CC)(CC)c1ccc(Cl)c(Cl)c1 728857130 FQTJEIWZBVYRSP-UHFFFAOYSA-N 298.213 3.801 30 20 CHED N#Cc1ccc(C=NNc2cccc3cnccc23)cc1 728432218 PMACLNGCJCNHQM-UHFFFAOYSA-N 272.311 3.552 30 20 CHED Cc1cc(OC(=O)[C@@H]2CCCSC2)c(C)c(C)c1C#N 813250787 SIXBURIPEGWHRY-CYBMUJFWSA-N 289.400 3.532 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@H](C3CCCC3)C2)cc1 817414060 BTLWEDBDVQWGAP-QAPCUYQASA-N 298.430 3.990 30 20 CHED C=C[C@@H]1CCCCN1C/C=C/CN1CCCC[C@H]1C=C 489437274 NUOKIHNIAUYHJE-AQRBRUGDSA-N 274.452 3.624 30 20 CHED Cc1cc(C)nc(NN=C2CCC(C(C)C)CC2)n1 729631405 ILAKYPKVJJDCCJ-UHFFFAOYSA-N 260.385 3.708 30 20 CHED N#Cc1cccc(C2(NCCCc3ccsc3)CC2)c1 571151316 APCCXOCTIQGWMI-UHFFFAOYSA-N 282.412 3.831 30 20 CHED CC(C)C#CC(=O)N[C@@H](c1ccccc1)C1CCCC1 822807300 SDJIDNGYCLHDJP-SFHVURJKSA-N 269.388 3.694 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2cc(Cl)ccc21 573193021 QDJWKMLWITYTJK-HNNXBMFYSA-N 263.768 3.831 30 20 CHED Cc1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1 727640952 WTCJNNUQOZMTEH-CYBMUJFWSA-N 265.312 3.785 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N[C@@H]1CC[C@H](C#N)C1 570567203 RMKSMCAXOYTVJI-CMPLNLGQSA-N 296.761 3.864 30 20 CHED CSc1ccc(C=NNCCCc2ccccc2)cc1 729146153 NSTNIODLLFCHNI-UHFFFAOYSA-N 284.428 3.965 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCSc1ccccc1 494222138 CUKFOGBDWWAQNA-CQSZACIVSA-N 290.432 3.529 30 20 CHED CCC(=NNc1cccc(OC)c1)c1ccc(O)cc1 725853016 BREXAUSQVZFKNO-UHFFFAOYSA-N 270.332 3.627 30 20 CHED COCC1(CNCc2ccc(C#N)c(C)c2)CCCCC1 589326443 QBDHQESEJYZAES-UHFFFAOYSA-N 286.419 3.553 30 20 CHED C#CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 729222437 WRCFJZRPQDSEAI-HNNXBMFYSA-N 290.794 3.504 30 20 CHED C=CCCCCCN(C)C(=O)c1conc1C(F)(F)F 828453698 HUOSVSJUGWQIQL-UHFFFAOYSA-N 290.285 3.512 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccc(F)cc1OC(F)F 903030463 CBURZSQMFJVGPT-SNVBAGLBSA-N 298.308 3.772 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC)[C@H](C)c1ccc(F)cc1 820635147 IKMBZEHVDHYZTQ-CZUORRHYSA-N 290.382 3.720 30 20 CHED COc1ccc(C=O)c(OCCCCC2(C#N)CCC2)c1 901462410 XLJSCKOPOLCJGM-UHFFFAOYSA-N 287.359 3.751 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N(C1CC1)C1(C#N)CCC1 904817645 GBDQGRNCXRTFAL-CQSZACIVSA-N 282.387 3.536 30 20 CHED C=CCCCC(=O)O[C@@H](C)CCCc1cccnc1 835929651 KBAWSMYQCBRPPZ-AWEZNQCLSA-N 261.365 3.692 30 20 CHED C/C=C(/C=C\C(=O)N(C)[C@H](C)c1cccc(C#N)c1)CC 493142687 XVROLUJQHFNTGM-BDIVFJEDSA-N 282.387 3.990 30 20 CHED COCCOc1ccc(C=NNc2cc(C)ccc2C)cc1 730462992 VQSIRWFHAKNOOJ-UHFFFAOYSA-N 298.386 3.775 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839058816 YCTMFNHWFUBILY-BMFZPTHFSA-N 293.407 3.740 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CSc3ccccc32)c1 735564840 HJSAGBDENXAMIR-OAHLLOKOSA-N 294.379 3.636 30 20 CHED C[C@H](OC(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1ccc(C#N)cc1 835204476 UMSLGXIDMSPZAA-DDWPSWQVSA-N 269.344 3.599 30 20 CHED CSc1cccc(F)c1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839451007 XAVLDLACWFBMMA-MNOVXSKESA-N 293.363 3.787 30 20 CHED CC(C)Oc1ccccc1-c1cc(CCC#N)on1 901398311 OFIFBCSGGKALTE-UHFFFAOYSA-N 256.305 3.585 30 20 CHED C=CCN(Cc1cc(C(=O)O)c(C)o1)Cc1cccs1 580206117 QDGYIUJSQWWZMI-UHFFFAOYSA-N 291.372 3.536 30 20 CHED CCCCCCCCCC(=O)Nc1ccnn1CC 834681222 AWAKVGQDSNLHCY-UHFFFAOYSA-N 265.401 3.982 30 20 CHED O=C1/C(=C/c2ccc(F)cc2F)COc2ccc(F)cc21 731565642 WWLJSGYEJUUFDG-BJMVGYQFSA-N 290.240 3.763 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc(-c3cnco3)cc2)C1 906525369 MKBYJERLGNORNS-GOEBONIOSA-N 281.359 3.514 30 20 CHED CC(C)C[C@@H](C)OC(=O)Oc1cc(F)cc(C#N)c1 831549903 HDIMTUSLWQFHCF-SNVBAGLBSA-N 265.284 3.647 30 20 CHED C=CCC1(C(=O)NCc2cccc3ncccc23)CCC1 834669179 XBPBVYUOBVDCJR-UHFFFAOYSA-N 280.371 3.597 30 20 CHED CCC(CC)Oc1ccc(C(=O)OCC2(C#N)CC2)cc1 835414758 KPJRABKLRIEFQQ-UHFFFAOYSA-N 287.359 3.715 30 20 CHED Cc1c(COC(=O)c2cccc(C#N)c2)oc2ccccc12 734290793 XHXOWYPEXAXCFS-UHFFFAOYSA-N 291.306 3.970 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2cnc[nH]2)cc1 584585921 CNRBTDGXTCSABK-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@H](C)C(=O)c1ccccc1 678881281 CRRSXRIMDXTBCR-CABCVRRESA-N 287.403 3.757 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cccc(C(F)F)c2)C1 839054070 UYGSMJIARRTQFG-GWCFXTLKSA-N 279.286 3.863 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(F)ccc2Cl)C1 839062874 OFJFIKZUZUIICW-KOLCDFICSA-N 281.714 3.718 30 20 CHED CCC#C[C@H](C)Sc1nnc(-c2cccs2)n1CC 677131571 PMPFWBULMKNGPR-NSHDSACASA-N 291.445 3.921 30 20 CHED C=CCCOCC(=O)N(CC(C)C)c1ccc(Cl)cc1 675578798 IGTBVNLCSDUZBV-UHFFFAOYSA-N 295.810 3.922 30 20 CHED CC(C)N(Cc1ccccc1F)C(=O)C#CC(C)(C)C 837372895 RLGMLNNZOGMNME-UHFFFAOYSA-N 275.367 3.612 30 20 CHED C#CCCCCNC(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 838514548 QVQANORRWURJRX-ROUUACIJSA-N 298.430 3.768 30 20 CHED N#CC1(CC(=O)NCC2CCC(F)(F)CC2)CCCCC1 597623515 IDORGPRBVHRISV-UHFFFAOYSA-N 298.377 3.792 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 594038290 MMWDYMHXJISOII-QGTPRVQTSA-N 298.430 3.679 30 20 CHED Cc1noc(C)c1C=NNCc1ccc(Cl)cc1Cl 914696833 QWMBJGHIVSZJFE-UHFFFAOYSA-N 298.173 3.722 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCC1(C#N)CCCCC1 835282469 RBDWKOAGKAHSPQ-LLVKDONJSA-N 291.313 3.982 30 20 CHED Cc1ccc2oc(CN[C@@H]3CCC[C@H](C#N)C3)cc2c1 595085242 JQNIPVKWCRBBGB-DZGCQCFKSA-N 268.360 3.913 30 20 CHED N#Cc1ccc(NN=Cc2c[nH]c3ccc(F)cc23)cc1 747048330 YNLYHMNPXWVEFH-UHFFFAOYSA-N 278.290 3.625 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccc(C2CC2)cc1 840718326 MRHGOKBDMLODNK-YHYXMXQVSA-N 266.344 3.502 30 20 CHED CCCC(CCC)C(=O)Nc1nc(Cl)c(C#N)s1 841224844 XAPLWCCUBPDOEF-UHFFFAOYSA-N 285.800 3.823 30 20 CHED CCCCCC[C@H](C)NN=Cc1cccc(OC)c1OC 743450749 PPIKPURPXUGJAX-AWEZNQCLSA-N 292.423 3.986 30 20 CHED CC[C@H](CC(=O)N(C1CC1)[C@@H](C)C#N)c1ccc(C)cc1 598129857 ZRBDYDACWPUJJW-LSDHHAIUSA-N 284.403 3.782 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 597905315 XTSNYQDCCFHPBT-LUKYLMHMSA-N 288.435 3.745 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 597683913 KWNBQIKWVBPHKH-ZWKOTPCHSA-N 296.414 3.574 30 20 CHED CCn1nccc1/C=C1/CCc2ccc(SC)cc2C1=O 843274369 XHPMRJDNZXJLLR-RAXLEYEMSA-N 298.411 3.837 30 20 CHED CCCCNN=C(C)c1ccccc1Br 915965880 FJLAPXMWLBJDTC-UHFFFAOYSA-N 269.186 3.563 30 20 CHED CCSC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CC1 595102021 XXBSALXAOCEPHB-LLVKDONJSA-N 278.396 3.634 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 593743076 BVWFMBMRXLBJDJ-KYOSRNDESA-N 290.794 3.642 30 20 CHED Cc1ccccc1C=NOCCOc1cccc(F)c1 915212870 IUKLDNFBDKUUBR-UHFFFAOYSA-N 273.307 3.564 30 20 CHED C#CCOc1ccc(NC(=O)C2CCCCCCC2)cc1 741561935 HHBNWKGKUGXDPF-UHFFFAOYSA-N 285.387 3.998 30 20 CHED FC(F)(F)Oc1ccccc1C=NOCc1cccnc1 746588174 KXQZVDUMUKDYPN-UHFFFAOYSA-N 296.248 3.531 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccccc2C#N)C1 740797146 HQLGDUSVJZUPNG-MHWBAHHKSA-N 282.387 3.656 30 20 CHED CC(C)C1(NC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 840759926 MSGWQGKBORIHPL-UHFFFAOYSA-N 293.823 3.687 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 916247069 XZASGVIPRKWIDV-UHFFFAOYSA-N 288.734 3.905 30 20 CHED Cc1cccc2cc(C(=O)N3CCC[C@H](CC#N)C3)sc12 597901438 VYMRXEGJLUFKCG-CYBMUJFWSA-N 298.411 3.976 30 20 CHED CCC1(c2ccccc2)CN(C(=O)CCCCCC#N)C1 590920373 RNGQSKDBFCTZEA-UHFFFAOYSA-N 284.403 3.651 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@H](CC#N)C2)CC1 597908422 SJYCOVXNBANEFG-BZUAXINKSA-N 276.424 3.601 30 20 CHED Cc1cc(C#N)ccc1NCC1CCC(C#N)CC1 846756110 PYZVNLVVANSCRU-UHFFFAOYSA-N 253.349 3.609 30 20 CHED CCN(Cc1cc(Cl)ccc1OC(F)F)[C@@H](C)C#N 595813350 SPIGQMGNECWIIT-VIFPVBQESA-N 288.725 3.675 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCC[C@@H](C)CC 684782681 OYMGCRBKEDRFJA-UXLLHSPISA-N 281.440 3.690 30 20 CHED CCC(=NNc1ccc(F)cc1F)C1CCOCC1 745193563 YZRSKFTYINBFGK-UHFFFAOYSA-N 268.307 3.569 30 20 CHED C=CCN(Cn1cc(C(C)C)n(C)c1=S)C(C)C 747453194 XIJGBMPFHYRFBW-UHFFFAOYSA-N 267.442 3.533 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCCC1(F)F 590779472 HAVGKRLQLDNNIL-ZBFHGGJFSA-N 290.357 3.961 30 20 CHED Cc1cccc2c(C(=O)N3CCC[C@](C)(C#N)C3)coc12 591777898 NEOUKYMPOCJMPT-QGZVFWFLSA-N 282.343 3.507 30 20 CHED COc1ccc([C@H](CC(C)C)NCCCC#N)cc1 592389421 ZZMXPVMZAUNUPA-INIZCTEOSA-N 260.381 3.676 30 20 CHED CN(CCCCC#N)Cc1ccc(Br)s1 57642214 LQZVJQVKFFBUPV-UHFFFAOYSA-N 287.226 3.636 30 20 CHED C=CC[C@H](C)NC1CC(c2cc(F)cc(F)c2)C1 685424521 LSDKGSPWXOOUEA-VLRKGOCCSA-N 251.320 3.765 30 20 CHED CC(C)CC1(C(=O)OCc2cccc(C#N)c2)CCC1 757141355 URLXBGHTVPEXNC-UHFFFAOYSA-N 271.360 3.818 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ncco1 926592119 RSCKSNWSGWYYTL-HIFRSBDPSA-N 256.349 3.513 30 20 CHED COc1ccc(NN=Cc2cc(C)sc2C)cc1 750920549 AERFMXCQUUJXSI-UHFFFAOYSA-N 260.362 3.820 30 20 CHED C#CC[C@H](NC(=O)N(C)Cc1ccsc1)c1ccccc1 757058652 RLXBVQJAQMQQRZ-INIZCTEOSA-N 298.411 3.654 30 20 CHED FC(F)(F)[C@@H]1CCC[C@@H](C=NNC2CCCC2)C1 853301511 GCTPRQLRNXDKGX-GHMZBOCLSA-N 262.319 3.873 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(C)cc1)C2=O 759667964 ZZKXNHFHHXFVJQ-UVTDQMKNSA-N 264.324 3.826 30 20 CHED C/C(=C/C(=O)O[C@@H](C)CC(C)(C)C#N)C(C)(C)C 851202777 MJEPOMNIKIKCMJ-KGTBHZDVSA-N 251.370 3.850 30 20 CHED c1cc2c3c(c1)C(=NOCC1CCC1)CC[C@@H]3CN2 853440320 DEMYHXMKWORTBX-GFCCVEGCSA-N 256.349 3.510 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1coc(C2CC2)n1 851143149 JCWVMTIHDAECFS-FZMZJTMJSA-N 275.348 3.844 30 20 CHED C#C[C@](C)(CC)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 854696963 QXBTZZSTTYKDLJ-UKRRQHHQSA-N 297.320 3.641 30 20 CHED Cn1cc(C=NNc2nc3ccccc3[nH]2)c2ccccc21 755490257 LMAXKUWVWNIUSD-UHFFFAOYSA-N 289.342 3.501 30 20 CHED Cc1c(N[C@@H](C)CC(C)(C)C#N)cnn1CC(C)C 925967827 UJLYZRXYOFAXRO-LBPRGKRZSA-N 262.401 3.588 30 20 CHED Cc1ccc(CC(=NOCC(F)F)C(C)C)cc1 758898926 ANUVJYSOJYDQEF-UHFFFAOYSA-N 255.308 3.831 30 20 CHED C#CCCCCN[C@H](c1ccc(F)cc1)c1cccnc1 753684658 AMHNYVRDMHLSMY-GOSISDBHSA-N 282.362 3.703 30 20 CHED Cc1ncc(C=NNc2ccccc2)n1-c1ccccc1 755463105 ZQMBXWOZGZSRMP-UHFFFAOYSA-N 276.343 3.627 30 20 CHED Cc1cc(C)cc([C@@H](NCCCC#N)c2cccnc2)c1 926134320 XJLOKCPEOAOSBH-SFHVURJKSA-N 279.387 3.681 30 20 CHED COc1ccc2nc(C=NN3CCCC[C@@H]3C)sc2c1 853378915 FAURYOQQNYJNAU-NSHDSACASA-N 289.404 3.513 30 20 CHED Cc1cc(C)c2cc(C(=O)N3CCC[C@@H](CC#N)C3)[nH]c2c1 855259592 MLSFSKOUJBORMU-AWEZNQCLSA-N 295.386 3.551 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCc1ccc(F)cc1F 851208620 ZXDXIGZFCLJAAW-NSHDSACASA-N 295.329 3.769 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N2CCC[C@H](CC#N)C2)cc1C 855259403 JXCCUUXRHVTCLZ-JTGQJZMRSA-N 296.414 3.777 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1ccc(C)s1 931810701 NDZDSHCALBZRRE-GFCCVEGCSA-N 251.395 3.617 30 20 CHED C#CCCCNC(=O)C1(c2c(Cl)cccc2Cl)CC1 759226271 DMYGHQKRVFNFLT-UHFFFAOYSA-N 296.197 3.555 30 20 CHED CSc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)c(C)o1 850231519 WSERNBIOATXJMR-ZDUSSCGKSA-N 293.388 3.939 30 20 CHED C#CCCOc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 751786352 VOMMEVHIDWKSKB-UHFFFAOYSA-N 281.311 3.588 30 20 CHED COc1ccc(C)cc1C=NNc1ccc(F)cc1OC 761885825 UTOBREJSVFODLM-UHFFFAOYSA-N 288.322 3.597 30 20 CHED Cc1cc(CN2CCC(c3ccc(C#N)cc3)CC2)ccn1 933607571 SJLYCUOGMKHHHI-UHFFFAOYSA-N 291.398 3.641 30 20 CHED C=CCCC(=O)COC(=O)c1ccc2ccccc2c1 761346972 FKUVAXPMKXKLKN-UHFFFAOYSA-N 268.312 3.532 30 20 CHED C=CCOC(=O)CCCOc1ccc(C)cc1Cl 766280694 RECNSRHWUVEIJQ-UHFFFAOYSA-N 268.740 3.537 30 20 CHED C#CCCCN(CC)Cc1ccc(C(F)(F)F)cc1 766896585 UHYBDHYKSXWDCE-UHFFFAOYSA-N 269.310 3.941 30 20 CHED CCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1OCC 765920301 MYRZCHGFCYCYEF-UONOGXRCSA-N 288.391 3.978 30 20 CHED CC1(C=NNc2ccc(Cl)c(C(=O)O)c2)CCC1 765991584 CBRQAMXEVQFWKW-UHFFFAOYSA-N 266.728 3.626 30 20 CHED C#CCCCSc1nnc(-c2ccco2)n1CC(C)C 766275361 IMESEGSUZVJPBE-UHFFFAOYSA-N 289.404 3.700 30 20 CHED CCc1ncc(C(=O)OCCCCC(C)(C)C#N)s1 768642651 IOMFCMBDGUQAAP-UHFFFAOYSA-N 280.393 3.582 30 20 CHED C#Cc1ccc(-c2nc(C3CCCCCCC3)no2)nc1 762356120 CCTOFUMQRXUUTB-UHFFFAOYSA-N 281.359 3.941 30 20 CHED CC(C)(C#N)CCCCOc1ccc2ccc(=O)oc2c1 767033634 PLVMZMCFMQCQMQ-UHFFFAOYSA-N 285.343 3.892 30 20 CHED CC(C)(C#N)C(=O)Nc1nc2c(F)ccc(Cl)c2s1 869819272 XDZNBASDKGCKFM-UHFFFAOYSA-N 297.742 3.577 30 20 CHED COC(=O)CCCCON=C(C)c1cc2ccccc2o1 863452132 CBIUSLVPGBKTDH-UHFFFAOYSA-N 289.331 3.517 30 20 CHED COc1ccc(O)c(C(C)=NNc2c(C)cccc2F)c1 769840414 KFLWWRYWNXQJKJ-UHFFFAOYSA-N 288.322 3.684 30 20 CHED C#C[C@@H](OC(=O)c1sc(-c2ccccc2)nc1C)C1CC1 767518883 QVEJPWPLQBGYSM-CQSZACIVSA-N 297.379 3.687 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)c1 1117795990 VWWGEWPEVHOOGX-CVEARBPZSA-N 297.402 3.911 30 20 CHED CCCCCCCNC(=O)CCCc1nc(C)cs1 862356137 CSKUOIVNAQARBC-UHFFFAOYSA-N 282.453 3.861 30 20 CHED CC(CC1CCCC1)=NNc1cc(C#N)cc(Cl)n1 768380307 MYWHNZSNDFTSNN-UHFFFAOYSA-N 276.771 3.975 30 20 CHED C#CCOc1cccc(-c2noc(/C(C)=C\CC)n2)c1 761781472 IGKHXVGHQIQHTM-GHXNOFRVSA-N 268.316 3.562 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)cc2)c(F)c1 132865839 JZVFORAWHDNOCO-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@@H]1CC[C@@H](C(=O)OCCCCC(C)(C)C#N)C1 768830293 FBAYRIQZLLSRLK-CHWSQXEVSA-N 251.370 3.686 30 20 CHED CC(C)(C)Oc1cccc(C=NOCc2cccnc2)c1 872359385 BXSABWKOWCPSKU-UHFFFAOYSA-N 284.359 3.810 30 20 CHED C[C@@H]1CCC(=NNc2nncc3ccccc23)C[C@H]1C 767357685 ITAFIZODYVDOPH-VXGBXAGGSA-N 268.364 3.854 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](CCC)[C@@H](O)c1ccccc1 879827625 ZNSPWADHKLSONY-RDJZCZTQSA-N 289.419 3.607 30 20 CHED CCCCCCCS(=O)(=O)Cc1ncoc1C(C)C 1116452117 FZTIDAUAJXNNMZ-UHFFFAOYSA-N 287.425 3.683 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 772463296 SDRVAEQJOGDFCW-ZETCQYMHSA-N 289.137 3.618 30 20 CHED C#CCCCN[C@H](c1ccc(F)cc1F)C(C)C 775541833 DJNMSINCNZUJGU-HNNXBMFYSA-N 251.320 3.665 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H]3C=CCCC3)[nH]c12 778648617 AVJAKDOKYFOKCW-KBPBESRZSA-N 293.370 3.794 30 20 CHED Cc1cc(C(=O)OCCC(C)(C)C#N)cc(C)c1F 776397794 VMIDNGKXLZVGLY-UHFFFAOYSA-N 263.312 3.539 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@H]2CC=CC[C@H]2C1 871057790 ZLQRGYDAIJMCMV-IYBDPMFKSA-N 298.434 3.524 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(OC)c(CN(CC)CC)c1 775393967 CKKOALRRLFCMOC-GJZGRUSLSA-N 290.451 3.762 30 20 CHED C#CCCCCCC(=O)N(C)C[C@@H](C)c1ccccc1 779902429 QNMWESXYAVGBCA-MRXNPFEDSA-N 271.404 3.832 30 20 CHED N#Cc1cccc(COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1F 774887658 GLDLQKWEGYBWRB-HUBLWGQQSA-N 287.334 3.567 30 20 CHED CC[C@H]1CCCCC1=NNc1nc2ccccc2[nH]1 779758161 JNHZGAJVDAIBNP-NSHDSACASA-N 256.353 3.931 30 20 CHED N#Cc1ccc(-c2csc(CC(F)(F)F)n2)cc1 62938241 VXNNPSBNSGFZMY-UHFFFAOYSA-N 268.263 3.787 30 20 CHED CCC(CC)CC(=O)OCc1cccc(C#N)c1F 774969873 YLZOOTGAJLPBOQ-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(N(C)C(=O)NC)cc1 883317196 XQEASBCEZKJHAD-CYBMUJFWSA-N 275.396 3.619 30 20 CHED Cc1oc(C)c(C(=O)O[C@@H](CC#N)c2ccco2)c1C 1123463339 RMDLKHLCSBNXEC-ZDUSSCGKSA-N 273.288 3.610 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 1129809626 RDHXEBVTWNWCMH-KCQAQPDRSA-N 270.376 3.878 30 20 CHED N#CCCCOc1cccc(C=NNC2CCCCC2)c1 786042327 RCTPNTBBSDLTEL-UHFFFAOYSA-N 285.391 3.625 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccnc2cc(Cl)ccc12 1122897788 LEJJTBDERBZHFI-NSHDSACASA-N 288.734 3.737 30 20 CHED CO[C@@H](c1ccccc1)[C@@H](C)NCc1cc(C#N)ccc1F 786858000 BWMQSJZLZHQTIH-FZKQIMNGSA-N 298.361 3.563 30 20 CHED CCSc1cc(Cl)ccc1C(=O)O[C@H](C#N)CC 781208322 GYJUXBFVICXSMX-JTQLQIEISA-N 283.780 3.911 30 20 CHED CC1(C)C[C@@H](NN=Cc2cc3ccccc3s2)CCO1 780251106 SQDQGPIGXDDDLU-ZDUSSCGKSA-N 288.416 3.782 30 20 CHED COc1ccc(NN=C[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 783856749 JJEIWSLNPYOQIE-VXGBXAGGSA-N 291.351 3.827 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1ccc(OC)cn1 780266757 AXVFOYJSFSVWTD-RYUDHWBXSA-N 261.369 3.704 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNc1cncc(Cl)n1 785451878 AGKKRWIZGFERFL-GHMZBOCLSA-N 280.803 3.990 30 20 CHED CC(C)N(C(=O)c1cc(C#N)ccn1)c1ccc(Cl)cc1 1125217764 VNKRFMVJXXCHEI-UHFFFAOYSA-N 299.761 3.662 30 20 CHED CC[C@@H](O)c1ccc(OCc2ccc(C#N)c(C)c2)cc1 783023940 IWLGGWPVGQEODE-GOSISDBHSA-N 281.355 3.889 30 20 CHED CCCN(Cc1ccc(CC#N)cc1)Cc1ccccc1O 784164871 ZNPWGYSKGRVDCL-UHFFFAOYSA-N 294.398 3.870 30 20 CHED C=C(CC(C)C)C(=O)NC1(c2nccs2)CCCC1 1123663181 QXOZVJSSSLMFRC-UHFFFAOYSA-N 278.421 3.631 30 20 CHED CC#CCCCC(=O)NCCC1CCC(F)(F)CC1 890059584 ITJDIACRUPMNOC-UHFFFAOYSA-N 271.351 3.512 30 20 CHED N#Cc1nc(N[C@@H](c2ccccn2)C2CC2)ccc1Cl 895793792 PPQBZAMYEZSBJF-OAHLLOKOSA-N 284.750 3.565 30 20 CHED C#CCC1(C(=O)OCc2ccccc2C#N)CCCCC1 788211809 PWBJACHJSUKLAZ-UHFFFAOYSA-N 281.355 3.575 30 20 CHED C[C@H](OC(=O)c1csc(Cl)n1)c1cccc(C#N)c1 784840546 XGUPPQICEBJMGI-QMMMGPOBSA-N 292.747 3.586 30 20 CHED COc1cccc([C@@H](C)C(=O)OCCCC(C)(C)C#N)c1 783114583 XXHJVTOQVFKDSU-CYBMUJFWSA-N 289.375 3.672 30 20 CHED Cc1cccc(NN=Cc2ccc(C(=O)O)cc2Cl)c1 783772517 KIHSTNCVPQCIHO-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CCCCCCCOC(=O)c1coc(C2CCOCC2)n1 786715166 LPLHBEXTIHSVIR-UHFFFAOYSA-N 295.379 3.696 30 20 CHED C#CCCCCCC(=O)[C@H](C#N)c1ccc2ccccc2n1 780301633 KIYYMOKARJYKLM-MRXNPFEDSA-N 290.366 3.995 30 20 CHED Cc1ccc([C@@H](NCc2ccc(C#N)cn2)C2CCCC2)o1 783294438 QSEWEJWXKFQGNM-SFHVURJKSA-N 295.386 3.876 30 20 CHED CC(C)(C#N)CCOc1cc([N+](=O)[O-])ccc1Cl 87596181 LKTVHSXSQJIAJW-UHFFFAOYSA-N 268.700 3.567 30 20 CHED N#Cc1ccc(OC(=O)[C@@H](F)CC2CCCCC2)cc1 796504129 CGHPOIIFPICTBO-HNNXBMFYSA-N 275.323 3.772 30 20 CHED C=C1CC(c2noc([C@@H]3CC(c4ccc(C)cc4)=NO3)n2)C1 896876227 XEINKAJECSGOFT-HNNXBMFYSA-N 295.342 3.677 30 20 CHED O=C1CCCN1N=CCCc1ccc(-c2ccccc2)cc1 794921841 HEUBHGGLRIFOTL-UHFFFAOYSA-N 292.382 3.894 30 20 CHED CCc1onc(C)c1/C=C1\Cc2cc(F)ccc2C1=O 899358569 YWALMUANZQDTMY-DHZHZOJOSA-N 271.291 3.507 30 20 CHED CO[C@@]1(C)CCCN(c2nc3ccccc3cc2C#N)CC1 795261547 UHYVMKCZWKUGCM-SFHVURJKSA-N 295.386 3.502 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc2c(F)cccc2s1 700605016 GLVJHCXKXMZUOU-JTQLQIEISA-N 275.348 3.572 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC(OCC)OCC 792733608 VCXHYYLRXONOSN-UHFFFAOYSA-N 294.391 3.510 30 20 CHED Cn1nccc1[C@@H]1CCCC(=NN[C@@H]2CCCC2(C)C)C1 790298607 MZSXABAVSKRDJU-CZUORRHYSA-N 288.439 3.602 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(Cl)ccc2c1CCO2 890336066 FUPQLABMBVGYSJ-UHFFFAOYSA-N 279.767 3.816 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1138961376 KAESJWRYTYJGLP-OUCADQQQSA-N 285.391 3.611 30 20 CHED CN(C(=O)c1ccccc1F)c1ccc(C#N)c(Cl)c1 1131996397 RYHWGYDRYXRLLF-UHFFFAOYSA-N 288.709 3.627 30 20 CHED O=C(/C=C/c1cccs1)c1ccnn1-c1ccccc1 798373158 XEBPLFQDESMQFT-CMDGGOBGSA-N 280.352 3.830 30 20 CHED CN(Cc1c(F)cccc1Cl)c1ccc(C#N)cc1 58732962 WMHBDMVPPHGQLR-UHFFFAOYSA-N 274.726 3.987 30 20 CHED CN(CCCCC#N)CC12CC3CC(CC(C3)C1)C2 559066128 WIIKGHGIPLGZJC-UHFFFAOYSA-N 260.425 3.828 30 20 CHED C#C[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(C)C 799045854 VEJNFOVUZNJDLP-HZPDHXFCSA-N 291.822 3.854 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 593408717 RYOPRDAXJHFMPM-ZFWWWQNUSA-N 272.392 3.830 30 20 CHED C#C[C@H](NC(=O)C[C@@H](CC)c1ccc(C)cc1)C(C)C 799044623 IRIPCMZCFGMIFA-WBVHZDCISA-N 271.404 3.653 30 20 CHED CCCCCCCCCC(=O)N1CC(C)(COC)C1 790431394 ONQDIMZMXHRMHL-UHFFFAOYSA-N 269.429 3.622 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1cc(C)n(C)n1 799863824 CMYGWFNSPYTESN-UHFFFAOYSA-N 296.296 3.583 30 20 CHED C#CC(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 792551270 JUUNRSNLNOJYDG-AWEZNQCLSA-N 295.304 3.782 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](CO)c1ccccc1 793536845 YFVKPBMBLRKXKE-RDJZCZTQSA-N 261.409 3.835 30 20 CHED C#CCCCOC(=O)c1c(-c2ccccc2C)noc1C 796210040 GKJKZEAJSJXIRN-UHFFFAOYSA-N 283.327 3.529 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCCc2c[nH]nc21 793552297 XQTABXJFTBRQSC-ZFWWWQNUSA-N 261.413 3.902 30 20 CHED CSCCON=C(C)c1ccccc1OC(F)(F)F 794572459 RPIHJMNZMHNHPW-UHFFFAOYSA-N 293.310 3.689 30 20 CHED C[C@@H]1C[C@H]1CNc1ccc(OC(F)(F)F)c(C#N)c1 799738675 JDEQUCHVZDFQKH-SCZZXKLOSA-N 270.254 3.525 30 20 CHED N#Cc1cc(NC[C@@H]2CCC=CO2)ccc1OC(F)(F)F 799738936 ONUQJSKFPMHPLS-LBPRGKRZSA-N 298.264 3.561 30 20 CHED Cc1cnn(C)c1/C=C1\COc2ccc(C(C)C)cc2C1=O 794697399 DXJOPIWWWSFJNN-RIYZIHGNSA-N 296.370 3.511 30 20 CHED C=CCCCOC(=O)[C@H](C)[C@H]1OCCc2sccc21 796494212 LXPYWXXURMJCMR-BXUZGUMPSA-N 280.389 3.507 30 20 CHED CC[C@H](NC(=O)c1ccc(C)c(C#N)c1)c1ccccc1 799304305 UREVEJOKUAIXQQ-KRWDZBQOSA-N 278.355 3.748 30 20 CHED CC(C)c1ncc(CN[C@@H](C)c2cccc(C#N)c2)s1 758486782 QZCDJGKYGKOBOE-LBPRGKRZSA-N 285.416 3.989 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)n1 762474525 WNKGTVCZLMMBIU-SECBINFHSA-N 287.190 3.863 30 20 CHED CC(=O)CCc1ccc(OCCCC(C)(C)C#N)cc1 87598912 SBHPOJYESSTFCS-UHFFFAOYSA-N 273.376 3.917 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@@H]2CCCC[C@@H]21 93396550 RQGVGYZJAZDVPY-WFASDCNBSA-N 258.340 3.856 30 20 CHED COc1cccc([C@@H](C)Nc2ccc(F)cc2C#N)c1 97635469 QESVBHPKPQTCLK-LLVKDONJSA-N 270.307 3.879 30 20 CHED Clc1ccc(-c2[nH]ncc2C=NNC2CCCC2)cc1 1319491799 XVSRNEHLCPWHCZ-UHFFFAOYSA-N 288.782 3.596 30 20 CHED C=CCOc1cccc(NC(=O)C2(C(C)(F)F)CC2)c1 1328468072 BTINNCWEZNYZOX-UHFFFAOYSA-N 281.302 3.625 30 20 CHED CC1=CCC[C@H](C)[C@H]1CNCc1cccc(OCC#N)c1 1321387411 SGTZFARNNYEGBW-YJBOKZPZSA-N 284.403 3.671 30 20 CHED COc1cc(/C=C2/Oc3ccc(F)cc3C2=O)ccc1F 1322985721 PFADQAZFACOZGA-VIZOYTHASA-N 288.249 3.590 30 20 CHED C[C@@H](c1nnc(COc2ccccc2C#N)o1)C(C)(C)C 1326092872 NIIQRLWGXMUVGD-NSHDSACASA-N 285.347 3.670 30 20 CHED COc1cccc(N[C@H]2CC[C@H](C#N)C2)c1Br 1321355677 TVMFHJADQNJJNY-UWVGGRQHSA-N 295.180 3.562 30 20 CHED CCCCCCCc1nnc(-c2ccc3c(c2)OCO3)o1 1257722823 ALUSYRSSLMETLR-UHFFFAOYSA-N 288.347 3.978 30 20 CHED C=C(C)CCC(=O)N[C@H](CC(C)(C)C)C(F)(F)F 1337214082 XQDGHYQNLSKDSU-SNVBAGLBSA-N 265.319 3.826 30 20 CHED CON(CC1(C#N)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 1335127932 LLEWEELACOPIPB-LLVKDONJSA-N 298.308 3.934 30 20 CHED C=C(C)CCC(=O)NC(C)(C)c1ccc(F)cc1F 1336626468 DLPMNSBYNYNBSV-UHFFFAOYSA-N 267.319 3.672 30 20 CHED C#C[C@@H](CCC)NC(=O)c1c(CC)oc2ccccc12 1338946808 MYTDGWKMKJBQAV-LBPRGKRZSA-N 269.344 3.527 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(C#N)cc1F)[C@H](C)CC 1340611006 JEZMMFQHGKEZLN-TXEJJXNPSA-N 276.355 3.737 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1cc(OC)c(C#N)cc1F 1262102492 MZYKMXFYYUFHER-HNNXBMFYSA-N 296.317 3.563 30 20 CHED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]3F)cc2)cc1 1356261449 FGNSDSLNZQVELL-JKSUJKDBSA-N 296.301 3.647 30 20 CHED C=C[C@H](CC)CC(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 1357266049 VMCPFCYGOAFLBE-GXTWGEPZSA-N 289.375 3.852 30 20 CHED Cc1c(Cl)cccc1C(=O)N(C)c1ccc(C#N)cc1 219679045 BFQQQMJNZFKTTL-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H]1CCO[C@@H](CCC)C1 1514859111 OQTYLXICZHPPNL-XHSDSOJGSA-N 279.424 3.539 30 20 CHED C=CCCOCCN[C@H]1CCCC[C@H]1c1ccccc1 222445194 RMCMRBNRGFBUQO-ROUUACIJSA-N 273.420 3.895 30 20 CHED Cc1c(C#N)cccc1N[C@@H]1CCc2cccnc2CC1 1461540745 PNUISDDJLNLYDB-MRXNPFEDSA-N 277.371 3.621 30 20 CHED O=C(O)c1ccc(/C=C2\CCCc3ccccc3C2=O)o1 1602331700 OZPJPOQOKRKGQV-ZRDIBKRKSA-N 282.295 3.580 30 20 CHED Cc1oc(CSCc2ccc(C#N)cc2)cc1C(=O)O 1600854044 QWIUYRGFFOFHPD-UHFFFAOYSA-N 287.340 3.591 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cc(F)cc(C#N)c2)C1 1467160868 STIQVZLZPYNXRO-IAQYHMDHSA-N 289.354 3.740 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2cc(F)cc(C#N)c2)cc1 1535375199 IGMLPMSSKYRWLV-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED C=C(CC)C(=O)N(C)Cc1ccc(Br)cc1C 1548694683 XWZZDQFZQBOGPO-UHFFFAOYSA-N 296.208 3.682 30 20 CHED N#Cc1cccc(N[C@@H]2C[C@H]2c2ccccc2Cl)n1 1612618706 ILRVJBQXNLDFLI-GXTWGEPZSA-N 269.735 3.575 30 20 CHED Cc1cc(C)cc(N(C)CCc2ccc(C#N)cc2)c1 1615226633 TWLCKLLKARHKMA-UHFFFAOYSA-N 264.372 3.854 30 20 CHED C=C(CC(C)C)C(=O)Nc1nc(-c2ccncc2)cs1 1548762904 YGBQHVDXWKUNMD-UHFFFAOYSA-N 287.388 3.746 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2cc(C#N)ccc2C)ccc1F 1544815903 LGPOCUDBNOZNGV-CYBMUJFWSA-N 296.345 3.805 30 20 CHED CCC[C@@H](CCc1ccccc1)Nc1cc(C#N)nc(C)n1 1651559245 PYLQEFFYJDQENE-INIZCTEOSA-N 294.402 3.870 30 20 CHED C[C@H]1CCCC[C@@H]1Cn1c(C(F)(F)F)ccc(C#N)c1=O 1652171335 VBCXIEDRCJNOMK-CMPLNLGQSA-N 298.308 3.565 30 20 CHED COc1cccc(SC)c1NC(=O)c1cccc(C#N)c1 1584111740 NAJZQWDSTPYQJI-UHFFFAOYSA-N 298.367 3.541 30 20 CHED CSc1ccc(NC(=O)c2ccccc2CC#N)cc1 1587463724 VHXNHGUSNKVNKJ-UHFFFAOYSA-N 282.368 3.727 30 20 CHED CC[C@@H]1CN(C[C@@H](C)CCC#N)CCN1Cc1ccccc1 1658775148 XTYDKLNYHKCBLW-PKOBYXMFSA-N 299.462 3.523 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cc(C)c(C(=O)O)o1 1588745221 VWTYOERHPZPVSN-HNNXBMFYSA-N 299.370 3.563 30 20 CHED C=CC[C@H]1CC[C@@H](Nc2ccc(C(=O)O)cc2OCC)C1 1588771456 VKGMSFLJBIKMPY-GXTWGEPZSA-N 289.375 3.940 30 20 CHED C#CCCCN[C@H](Cc1ccccc1)c1ccccc1 231669596 RQDPWWZLWKMSKM-LJQANCHMSA-N 263.384 3.973 30 20 CHED C[C@@H](SCc1cccc(C(=O)O)n1)c1cccc(C#N)c1 1593661663 KPPZBNNAEVZHDI-LLVKDONJSA-N 298.367 3.646 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NC(=O)c1sccc1C#N 1597787671 QLKXTRJHJICJAM-OAHLLOKOSA-N 298.411 3.617 30 20 CHED CC1(C)CCC[C@@H](NC(=O)Nc2cc(C#N)ccc2F)C1 1678269880 MQVIUKXPEIWWCW-GFCCVEGCSA-N 289.354 3.788 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC[C@H]2C[C@H]3CC[C@H]2C3)C1 1776153022 AKKHJOFQIQJACH-NBOOPKSLSA-N 291.435 3.556 30 20 CHED CCc1cccc(/C=C\C(=O)c2ccc(C(=O)O)cc2O)c1 1776974930 XHSMJVBIRLVHQW-TWGQIWQCSA-N 296.322 3.549 30 20 CHED CCc1ccc(C(=O)O)cc1NCc1cc(F)cc(C#N)c1 1776966537 HMYHAVVJGCLWEF-UHFFFAOYSA-N 298.317 3.570 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(Cl)ccc1F 15605492 DHLAWODCVKKFHE-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=CCN(C)C(=O)c1ccc(C(F)(F)F)cc1Cl 161642434 NCYBAZCRWMFXRU-UHFFFAOYSA-N 277.673 3.617 30 20 CHED O=C1/C(=C\c2ccccc2)CCOc2ccccc21 169405634 REEUQFROMBQUOU-OWBHPGMISA-N 250.297 3.735 30 20 CHED C=CCC[C@H](CCC)NC[C@](C)(O)c1ccsc1 160129138 QVKRNJLXQHUCAI-GJZGRUSLSA-N 267.438 3.680 30 20 CHED CCN(CCc1c(C)noc1C)[C@@H](C)c1ccc(C#N)cc1 164942652 ZSKZVYOVRKUJPO-AWEZNQCLSA-N 297.402 3.789 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(C)c1Cl 168604457 UUIMNMGHXMCDQN-UHFFFAOYSA-N 251.757 3.687 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 155683277 MSADNPNIMMRRFF-AWEZNQCLSA-N 274.408 3.568 30 20 CHED COc1cccc2cc(C(=O)O[C@H](C#N)C(C)(C)C)oc12 154282772 CMRPFNSFCLTFGI-CYBMUJFWSA-N 287.315 3.536 30 20 CHED CCN(Cc1ccc(N(C)C)cc1)Cc1cc(C#N)cs1 156849253 LYCWLTLPINWMTG-UHFFFAOYSA-N 299.443 3.708 30 20 CHED COc1cc(C#N)ccc1COc1cc(C)ccc1C(C)=O 154920702 PQHMFFXJNTZGHG-UHFFFAOYSA-N 295.338 3.657 30 20 CHED C#CCCOC(=O)N[C@H](c1ccccc1)C(C)(C)C 858898415 DCZGMIBHELNLMH-CQSZACIVSA-N 259.349 3.523 30 20 CHED N#CC1(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CCCCC1 155960085 IVRNKKGSPGTHTJ-HUUCEWRRSA-N 274.408 3.545 30 20 CHED CC[C@H]1CCCCN1CCCOc1ccc(C#N)cc1 34674510 ACBIBWWWAHAJHK-INIZCTEOSA-N 272.392 3.592 30 20 CHED Cc1ccc(CNCc2ccc(C#N)c(F)c2)cc1C 404109476 IUHPROHRNLDDQZ-UHFFFAOYSA-N 268.335 3.604 30 20 CHED C=C[C@@H](C)N[C@H](C)Cc1ccc(F)cc1Br 309569021 NBKCOLCLSIRONI-NXEZZACHSA-N 286.188 3.683 30 20 CHED CCC[C@@H](C(=O)N1CCC(CCC#N)CC1)C(C)C 519158834 CDHKKXKEVXLSLP-OAHLLOKOSA-N 264.413 3.601 30 20 CHED C=CCC[C@H](C)NCc1nc(C)c(Br)s1 449400086 HCVBZQYXICBFFT-QMMMGPOBSA-N 289.242 3.658 30 20 CHED N#CCc1ccc(CN2CCC[C@@H]3CCC[C@H]32)cc1 343538257 TWTUZYUUKCQDLW-DLBZAZTESA-N 254.377 3.517 30 20 CHED N#CCc1ccc(CN2CCC[C@H]2C2CCCC2)cc1 399067546 CDSVAJUWPBLNOT-SFHVURJKSA-N 268.404 3.907 30 20 CHED CCCCCCCCCCN1C(=O)[C@H]2CCCN2C1=O 761000513 CANKQUNEWLDGCU-CQSZACIVSA-N 280.412 3.554 30 20 CHED C=C(C)CN(CC)C(=O)CCCCOc1cccc(C)c1 57385810 QVZBTMLNUWLYLY-UHFFFAOYSA-N 289.419 3.969 30 20 CHED Cc1nc2ccccc2cc1C(=O)Nc1cccc(C#N)c1 10516497 RKLJTXMBCNWSFN-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)COC[C@H](NCc1cccc(C#N)c1)c1ccco1 101596973 DCNBYWJKGOBRTM-KRWDZBQOSA-N 298.386 3.655 30 20 CHED CC1CCC(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 56819077 VWGCQNSGPKUEGO-BBBYJDLNSA-N 299.418 3.745 30 20 CHED CC(C)Oc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 51401087 WUPGIRIQIKLESU-UHFFFAOYSA-N 294.398 3.977 30 20 CHED C=CCCC(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 173495449 QUDCHHOHMQKGSN-AEFFLSMTSA-N 287.403 3.545 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)c1 106577676 SDJBYEIJXBTMOC-KRWDZBQOSA-N 294.329 3.616 30 20 CHED C=CCC[C@@H](NC[C@H](c1cccs1)N(C)C)C1CC1 119844892 VYVDRDUSFYIRGL-HUUCEWRRSA-N 278.465 3.685 30 20 CHED C=CCCCC(=O)N1CCC(OCC2CCCC2)CC1 175597739 BTGUQQWUQKRJCG-UHFFFAOYSA-N 279.424 3.541 30 20 CHED C=CCCC(=O)Nc1nc(-c2sc(C)nc2C)cs1 171434972 JVDROUCMFFIQRS-UHFFFAOYSA-N 293.417 3.788 30 20 CHED N#Cc1ccc(SCc2ccc(Cl)cc2)nc1 58482150 ILQHHKOWOLVOQK-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Cc1cccc(CC(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 107906244 BOKPJHPDGTUWNQ-UHFFFAOYSA-N 295.386 3.604 30 20 CHED C#CCCCCC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 119909952 FUPHPYRBLHCSAC-AEFFLSMTSA-N 283.415 3.832 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C)c(OC)c2C)CC1 171889052 FMLLZCCVIJIYCT-UHFFFAOYSA-N 288.391 3.742 30 20 CHED N#Cc1ccc(NCCCCCc2ccccc2)nc1 301158957 OIBKGKVQMDVDCB-UHFFFAOYSA-N 265.360 3.778 30 20 CHED C#CCCCCC(=O)NCc1cccc(OCC(C)C)c1 119711426 VQCHJZMUMPHODK-UHFFFAOYSA-N 287.403 3.531 30 20 CHED CCCCCCCNc1cccc(CS(C)(=O)=O)c1C 178401923 AGHVRRKKVHIAPU-UHFFFAOYSA-N 297.464 3.922 30 20 CHED Cc1c(Cl)c[nH]c(=NC[C@@H]2CCCC(F)(F)C2)c1C#N 409645612 ASGVNDCGDPGYLT-SNVBAGLBSA-N 299.752 3.574 30 20 CHED COc1cc(CNc2cc(C#N)ccc2C)ccc1F 1326136569 AEBAHPRXIVVJOB-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H](C)c1ccccc1 175468093 ZLIBLQDEFFHWJI-AWEZNQCLSA-N 295.386 3.890 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC2(CCCC2)C1 174260486 FFJHOBOFIVBBSF-CQSZACIVSA-N 254.377 3.885 30 20 CHED C#Cc1cccc(NC(=O)c2nc3ccccc3s2)c1 120537544 FTQZWKYYONAWCU-UHFFFAOYSA-N 278.336 3.530 30 20 CHED CC[C@H](Nc1ccc(C#N)cn1)c1ccc(C)cc1 301060000 AEFZTPXOATZNDI-HNNXBMFYSA-N 251.333 3.825 30 20 CHED C=C(C)CN(C)C(=O)NCCc1ccc2ccccc2c1 182389851 VHINVLJJHSEYQY-UHFFFAOYSA-N 282.387 3.600 30 20 CHED CN(c1ccc(C#N)cc1F)[C@H]1CCc2ccccc2C1 303556733 KPEZWTLVJKQBDZ-INIZCTEOSA-N 280.346 3.691 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)N(CC)CCCC 124763737 WXLNNZGMUFKMLX-UHFFFAOYSA-N 291.391 3.522 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C(C)C)Nc2ccccc21 186430993 UNLUWKZDYOXCMG-INIZCTEOSA-N 284.403 3.663 30 20 CHED COc1cc(C#N)ccc1OCc1ccc2ncccc2c1 314090068 XIHHDMHSKIBWLC-UHFFFAOYSA-N 290.322 3.694 30 20 CHED CCO[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)C1(C)C 182052600 JVPPQJGCLUGWAG-GVDBMIGSSA-N 286.419 3.825 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(-n2ccnc2)cc1 315021963 CBKBPDRNBGTRIW-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C#CCSc1nnc(-c2ccc3ccccc3c2)o1 33654705 IACRTRIZRZICCU-UHFFFAOYSA-N 266.325 3.615 30 20 CHED C=CCC[C@H](C)NC[C@H](c1ccc(C)o1)N1CCCC1 185298315 CQJWWHCOEHYHKF-GOEBONIOSA-N 276.424 3.669 30 20 CHED CN(CCC#N)c1nc(-c2ccccc2)c2ccccc2n1 78434974 BWAWIJIVFQHLTK-UHFFFAOYSA-N 288.354 3.647 30 20 CHED Cc1cc(C)cc(-n2ccnc2SCCCC#N)c1 73415994 XEZIFRHBWNTXRR-UHFFFAOYSA-N 271.389 3.885 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCC[C@H]1C1CC1 412479915 RXOVLXTVHDHPEW-HOTGVXAUSA-N 261.409 3.697 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C)cc1SC 413890548 DASIHMMQLMHZFD-LBPRGKRZSA-N 279.405 3.637 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1OC 213695485 BOORPYRASRCOSL-CLFYSBASSA-N 298.338 3.696 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)cc1 35326131 YFQLWKPNMHKJHJ-WEVVVXLNSA-N 268.312 3.605 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1cccc(Cl)c1F 78465287 LKDBTOGJDKIDGZ-UHFFFAOYSA-N 295.745 3.637 30 20 CHED CC(C)c1ccc(/C=N/OCc2nc(C3CC3)no2)cc1 123262047 SWYDCBPFLCPXDB-RQZCQDPDSA-N 285.347 3.621 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2/C=C\c2ccccc2)cn1 503311455 LIIZVMMBKZJYIT-SECOEOQKSA-N 275.355 3.635 30 20 CHED Cc1ccccc1CNc1nccc(C#N)c1Cl 235775541 XEWJMZUCOUINKR-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1cccc([C@@H]2CCCN2CCCSCC#N)c1 74982071 LPJNPRZCCCEGDA-INIZCTEOSA-N 274.433 3.779 30 20 CHED C=CCn1c(C)nnc1SCc1ccc(Cl)c(F)c1 189787346 DUDMRSUQUFHMPY-UHFFFAOYSA-N 297.786 3.857 30 20 CHED Cc1ccc(CCC(=O)N[C@H](C#N)C2CCCCC2)c(C)c1 506524455 GNSMWKRJOHOVLT-GOSISDBHSA-N 298.430 3.825 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@@]23CCc2ccccc23)n1 508688775 XWQKQLPFGQHXLN-MAUKXSAKSA-N 280.371 3.950 30 20 CHED COc1cc(NCc2ccc(C#N)c(C)c2)ccc1F 443999328 APXLSAOWTGAHCK-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCOCCCN[C@@H](C)c1ccc(C2CC2)cc1 419333100 IHUOIAXNEDKMAZ-AWEZNQCLSA-N 259.393 3.807 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](C)OC)cc1 188129985 MUKXDZRZNVDPSJ-CHWSQXEVSA-N 283.799 3.503 30 20 CHED CC[C@@H](CC#N)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 133202346 QEYVDUNSHYKBPB-UONOGXRCSA-N 281.403 3.616 30 20 CHED N#CCCN(Cc1cccnc1)Cc1cc2ccccc2o1 135270210 HIOZGJZJALQFFN-UHFFFAOYSA-N 291.354 3.744 30 20 CHED CCC[C@@H]1CCCCN1C(=O)c1cccc(CC#N)c1 183909316 ZMPZRBLHDYHRMY-MRXNPFEDSA-N 270.376 3.547 30 20 CHED N#Cc1ccc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)s1 185148849 LAISWMVFZZRFFN-PBHICJAKSA-N 298.411 3.630 30 20 CHED CCN(Cc1ccc(Cl)s1)C(=O)[C@](C)(C#N)CC 285531461 RKQOPFMFEBNPAT-ZDUSSCGKSA-N 284.812 3.690 30 20 CHED CCCCCSc1ccc([N+](=O)[O-])cc1C#N 223567847 LDJDOFZTAYCFTN-UHFFFAOYSA-N 250.323 3.749 30 20 CHED C=C(C)COc1cccc(N[C@H]2COC(C)(C)C2)c1 417819178 BMDCENMWCKOFRT-CQSZACIVSA-N 261.365 3.621 30 20 CHED C=C(C)CCc1noc(CCCOc2cccc(F)c2)n1 508624788 GILFDRISFSWPNE-UHFFFAOYSA-N 290.338 3.729 30 20 CHED C=CCCCCCNc1ccc(F)cc1C(=O)N(C)C 195452033 LJIGPEXLGXTMJV-UHFFFAOYSA-N 278.371 3.686 30 20 CHED N#C[C@H](C(=O)/C=C/c1ccc2ccccc2n1)c1ccccn1 83938219 VKDNGKVPMCYLHO-OFAQMXQXSA-N 299.333 3.519 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 191948949 WDGHNGKULPMJSR-OAHLLOKOSA-N 275.779 3.807 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@H]2c2ccccc2)cc1 45827320 WSJYWEZAXXKSCH-INIZCTEOSA-N 277.327 3.537 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N[C@@H](C#N)C(C)C)c1 511731021 VVXCOQQDJHZVEN-YOEHRIQHSA-N 286.419 3.653 30 20 CHED C=CCCC(=O)CSc1ccc(C(F)(F)F)cn1 134676026 VZHKRIJECTWMLZ-UHFFFAOYSA-N 275.295 3.728 30 20 CHED C=CCC1(C(=O)Nc2ccc(-n3cccn3)cc2C)CCC1 190893128 YNEVOQCNUKBNNI-UHFFFAOYSA-N 295.386 3.866 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1C(F)F 425692470 MSTMCHKQTFLKNL-VIFPVBQESA-N 254.280 3.710 30 20 CHED O/C(=N/C(C1CC1)C1CC1)c1coc(C2CCCC2)n1 328841872 ZWAKFJIIGMHFPW-UHFFFAOYSA-N 274.364 3.825 30 20 CHED CSc1ccc(Cl)cc1NC(=O)C(C)(C)C#N 194337487 VAROFVQFBWJDJH-UHFFFAOYSA-N 268.769 3.550 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCCc2cccs2)n1 613411132 FDEHORPOUQHDNI-UHFFFAOYSA-N 285.416 3.967 30 20 CHED Cc1cc(CCCC(=O)Nc2ccc(C#N)cn2)c(C)s1 84541584 JGPCNVZKHCRCML-UHFFFAOYSA-N 299.399 3.593 30 20 CHED C[C@H](CC1CCCCC1)/N=C(/O)c1csc(O)n1 329944844 WYIHMYVBOQKYBT-SECBINFHSA-N 268.382 3.512 30 20 CHED N#Cc1cccc(NCC#Cc2ccc(Cl)cc2)c1 426327041 PADSTTZFMDASMW-UHFFFAOYSA-N 266.731 3.675 30 20 CHED C=CCNC(=O)NCc1ccc(Sc2ccccc2)cc1 429080390 CTPYUBMHCMQTNQ-UHFFFAOYSA-N 298.411 3.823 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2cc(C#N)cs2)CC1 84111741 IOLMAFSVGKWNLY-ZDUSSCGKSA-N 276.405 3.518 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccccc1Br 425386777 PUOKYVJQTLTOPQ-UHFFFAOYSA-N 282.181 3.990 30 20 CHED N#CCC(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 335843561 USCNPBMDROVBPS-ZDUSSCGKSA-N 296.292 3.673 30 20 CHED CCOc1ccc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)cc1 331278994 JVOQYTHUCQFMJO-DGCLKSJQSA-N 262.353 3.600 30 20 CHED C[C@]1(CNc2ccc(C#N)nc2)C[C@H]1c1ccccc1 338740031 LXIBGADYJPBLDQ-DLBZAZTESA-N 263.344 3.559 30 20 CHED C=CCC[C@@H](NCc1ccc2c(c1)CNC2)c1ccco1 423387448 MUYLNCPKYIJVAE-QGZVFWFLSA-N 282.387 3.680 30 20 CHED C=CCSCCN[C@H](C)CCc1c(F)cccc1F 510679322 FXAGXLXITIBXRZ-GFCCVEGCSA-N 285.403 3.795 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(C)c(OC)c2)no1 426391240 PGQBOFBMJAKODZ-UHFFFAOYSA-N 272.348 3.907 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 332196269 WEOSIYXAWSHBSJ-FRRDWIJNSA-N 288.416 3.708 30 20 CHED Cc1cc2c(NCc3cc(C#N)ccc3F)ncnc2s1 90096437 BMCRIVDYPPLNJV-UHFFFAOYSA-N 298.346 3.623 30 20 CHED C=CCCc1csc(CC(=O)Nc2ccc(C)cc2)n1 90065483 ZRQITHOFIPOELU-UHFFFAOYSA-N 286.400 3.751 30 20 CHED C#CCCOc1ccc(CNc2ccc3c(c2)COC3)cc1 92854571 WKSQCPYZMKSPPY-UHFFFAOYSA-N 293.366 3.731 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCC1(C)C 429359608 BTEQTMRHNNNBIG-MRXNPFEDSA-N 286.419 3.963 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 336615881 LRSIAGQRFFMQPB-BLLLJJGKSA-N 266.344 3.879 30 20 CHED Cc1cc(N=C(O)c2cc(F)ccc2C)nc(C(C)C)n1 330727964 GMWVYUKTCWFACE-UHFFFAOYSA-N 287.338 3.992 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)c2cnc(C(C)C)s2)o1 330699705 GLOYVKYVNBMULV-VIFPVBQESA-N 279.365 3.629 30 20 CHED CC[C@H](C)n1ncc(N=C(O)[C@@H]2CCC(=O)C[C@H]2C)c1C 330091348 XRKVHFUNPMZEDG-UHIISALHSA-N 291.395 3.756 30 20 CHED C#CCCCCN[C@H](C)c1ccc(SC)c(OC)c1 90399082 GKBOZYPDMLYHLB-CYBMUJFWSA-N 277.433 3.871 30 20 CHED N#Cc1ccc(NC(=O)NC2CCCC2)cc1C(F)(F)F 91406197 HXVUWFCLGVNXPK-UHFFFAOYSA-N 297.280 3.641 30 20 CHED CC[C@]1(C)CCCN(CCCC2(C#N)CCOCC2)C1 337172711 GTCNCMBTBYHIIM-MRXNPFEDSA-N 278.440 3.599 30 20 CHED N#Cc1cc(NC(=O)C2Cc3ccccc3C2)ccc1Cl 431359822 ZCCPWQJQHXCQOH-UHFFFAOYSA-N 296.757 3.565 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CCC(F)(F)C1 431054900 UZVHJLMGGAQHCP-CYBMUJFWSA-N 288.382 3.810 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1ccc(F)c(F)c1 249803466 AQSJIHFXFZTODD-GHMZBOCLSA-N 252.308 3.507 30 20 CHED CCc1cccc(C)c1NC(=O)N(C)CC(C)(C)C#N 432485158 YOSZPYGAXVBAML-UHFFFAOYSA-N 273.380 3.571 30 20 CHED CCC(CC)[C@H](C)C(=O)N(CCC#N)Cc1ccco1 341527528 KSTHHVFCXCKCDZ-ZDUSSCGKSA-N 276.380 3.594 30 20 CHED CC(C)(C#N)CC(=O)NC1CC(c2ccccc2Cl)C1 341130614 WEWBDEQJVDNUGS-UHFFFAOYSA-N 290.794 3.642 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1 344519199 UZJHRUGNZJSBOU-CQSZACIVSA-N 295.367 3.527 30 20 CHED C=CCC[C@H](NC[C@H](O)Cc1ccccc1)c1ccccc1 341938736 FLZKTRJDWXGQTD-UXHICEINSA-N 295.426 3.887 30 20 CHED C(=NNc1nnc(-c2ccccc2)s1)c1ccccc1 252623879 PBKKLBRNIVRGHL-UHFFFAOYSA-N 280.356 3.651 30 20 CHED C=CCC1(c2nc(C3CCSCC3)no2)CCC1 347099304 DIGUQQORKWCSGR-UHFFFAOYSA-N 264.394 3.678 30 20 CHED COCc1cc(C#N)ccc1NCc1ccc(C)s1 603277404 QCVMSUMKOPRPJB-UHFFFAOYSA-N 272.373 3.687 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H]2CCCOc3cc(Cl)ccc32)C1 349338773 ATIPUEOMVCDWMW-KYOSRNDESA-N 290.794 3.836 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)s1 342173107 FBEOBBQEHUCNDN-UHFFFAOYSA-N 293.351 3.867 30 20 CHED CCc1nn(C)cc1/C=C1/C(=O)c2cccc(C)c2[C@@H]1C 254990556 JUWMAGSNUQLLFS-KMHUVPDISA-N 280.371 3.674 30 20 CHED COc1cc(/C=C\C(=O)c2cc(C)cc(C)c2)ccc1O 255547959 YOJDIJYNLAFGNA-XQRVVYSFSA-N 282.339 3.914 30 20 CHED Cc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)c[nH]2)o1 255539960 SSYZHCMRRACAIU-NTMALXAHSA-N 278.311 3.874 30 20 CHED CC(C)(C)c1csc(NC(=O)c2ccccc2CC#N)n1 601010428 JARGQISLHPBLCD-UHFFFAOYSA-N 299.399 3.759 30 20 CHED Cc1cc(CN[C@@H]2CCO[C@@H](CC(C)C)C2)ccc1C#N 444000884 IZESFNNXDMJEOB-MSOLQXFVSA-N 286.419 3.550 30 20 CHED Cc1ccnc(N[C@@H](C)c2cccc(F)c2F)c1C#N 343522023 WBMBQXSMPQPBPP-JTQLQIEISA-N 273.286 3.713 30 20 CHED CC[C@@](C)(C#N)NC(=O)CC(C)(C)C1CCCCC1 527240237 BHKZZPPPYGSHOD-INIZCTEOSA-N 264.413 3.791 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(F)cc1F 446049189 ZAFUWRNNGMZLFU-UHFFFAOYSA-N 281.346 3.712 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 449968987 ZUXGQCKKDHLPDO-CQSZACIVSA-N 259.393 3.563 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)CCC1CCCCC1 449872620 WWQDOIRNZLTELL-GFCCVEGCSA-N 287.407 3.674 30 20 CHED C[C@H](C#N)C(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 440893161 IJCGVICYSJSGKF-IHCBKXQLSA-N 282.387 3.631 30 20 CHED Cc1cc(C)cc(OCCNC2CCC(C)(C#N)CC2)c1 449089984 FSCRKCCLKSKXEY-UHFFFAOYSA-N 286.419 3.744 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccccc1C(F)(F)F 359768433 XZHAYMIYGYBWBF-UHFFFAOYSA-N 298.308 3.765 30 20 CHED C[C@H](CCC#N)CNCCc1ccc(F)cc1Cl 602565648 QUWJKKDMPSRGTB-LLVKDONJSA-N 268.763 3.551 30 20 CHED CCC(=O)c1cccc(N=Cc2cccc(OC)c2O)c1 255020507 JTAXVZGIVIRYER-UHFFFAOYSA-N 283.327 3.744 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1 359026308 IGHROFSJRYYPKX-ZDUSSCGKSA-N 291.391 3.627 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(Sc2ccccn2)o1 351400063 QVTIQOMKDOAWIB-LBPRGKRZSA-N 287.388 3.560 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)NCC(C)(C)CCC#N 358682927 JWFZTJCCPGESSQ-AWEZNQCLSA-N 287.407 3.719 30 20 CHED CC#CCCNC(=O)Nc1cccnc1-c1ccc(C)s1 446572231 NKQPDZFDEZPYPL-UHFFFAOYSA-N 299.399 3.653 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)CCCC[C@H]3N)cc1 600775800 MZCCCIUGUFYTIK-GOSISDBHSA-N 262.356 3.951 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCC[C@@H]1c1ccccc1 602729353 IPODYZIRBVQXHO-DJIMGWMZSA-N 256.393 3.852 30 20 CHED CCn1nc(CN(CCC#N)CCC(C)C)c2ccccc21 352011030 NKZLWWAZIOTOAZ-UHFFFAOYSA-N 298.434 3.818 30 20 CHED N#Cc1c(COc2ccc(F)c(F)c2)cn2ccccc12 531350066 CTQMUHVYGCYCQY-UHFFFAOYSA-N 284.265 3.668 30 20 CHED C[C@@H](CN[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 618831421 QDLPCQOJPDKOFW-IFXJQAMLSA-N 276.383 3.939 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1 614509712 RCLMZPDUNDKJEU-IRXDYDNUSA-N 284.403 3.791 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H](C)c1ccncc1 615926629 XLMSSJAYNJBZGT-CQSZACIVSA-N 287.407 3.506 30 20 CHED C=CCOCCCSCc1cc(F)cc2c1OCOC2 359143619 NDFDIIXGIKOLDD-UHFFFAOYSA-N 298.379 3.518 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cccc(O)c2)CCCC1 449838698 HUICWTZFJDMKJZ-ZDUSSCGKSA-N 273.376 3.706 30 20 CHED C=CCCC1(C(=O)N(CC)Cc2cccc(F)c2)CC1 353855718 FQNSQEQAEHXMOI-UHFFFAOYSA-N 275.367 3.921 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)C1CCSCC1 619755801 UBTAGJHFQXNTSI-LLVKDONJSA-N 294.851 3.833 30 20 CHED N#Cc1ncccc1NCCc1c[nH]c2ccc(Cl)cc12 357505282 AXQITGNAQYZBLH-UHFFFAOYSA-N 296.761 3.743 30 20 CHED CCCCCCCCCN(C)C(=O)c1c[nH]c(C)n1 264869800 QWMLPXQWYMGRRQ-UHFFFAOYSA-N 265.401 3.541 30 20 CHED C[C@H](C(=O)NC1(C#N)CCC1)c1ccc(Cl)c(Cl)c1 266907083 GHXJYOCRXXDRSW-VIFPVBQESA-N 297.185 3.659 30 20 CHED Cc1cccc(C2(C(=O)N3CCC(CC#N)CC3)CCC2)c1 611678361 GQMDRMFSGNFIIT-UHFFFAOYSA-N 296.414 3.569 30 20 CHED C=CCCSCCOc1ccc(OCC)cc1 610088344 WSOKPRPSZHDGJF-UHFFFAOYSA-N 252.379 3.773 30 20 CHED C[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)c1nccs1 612574890 RIXKNFJORNAGSC-MLGOLLRUSA-N 297.427 3.785 30 20 CHED C[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CCCC1 610519846 WXJUCNDTRQSKHH-QWHCGFSZSA-N 270.376 3.562 30 20 CHED C=CCCCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 368253522 HVVFSRLZBIPTAW-WMLDXEAASA-N 287.403 3.961 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C)c(-c2ncco2)c1 454971154 ODSHRNOAHHMGPZ-UHFFFAOYSA-N 299.374 3.984 30 20 CHED Cc1ccccc1[C@H](c1noc([C@@]2(C#N)C[C@H]2C)n1)C(C)C 453184814 SQQHVZPBZCQABL-DDUZABMNSA-N 295.386 3.967 30 20 CHED CCC(C)(C)[C@H]1CCCN1Cc1cccc(C#N)c1 533086806 WQKSQGDGDLSSFL-MRXNPFEDSA-N 256.393 3.959 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@@H](C)c2ccccc21 458987297 LWTHYSQWVKEVER-GFCCVEGCSA-N 258.365 3.532 30 20 CHED CO[C@@H](CN[C@H]1CCCCc2cc(C#N)ccc21)C(C)C 360656536 IMXGTJBDYAEMPU-ROUUACIJSA-N 286.419 3.586 30 20 CHED C=CCn1c(S[C@H](C)c2ccncc2)nnc1C1CC1 619950262 LNHVPULQBRBCOC-LLVKDONJSA-N 286.404 3.590 30 20 CHED Cc1cc(Cl)c(C(=O)N[C@H](C#N)CC(C)C)cc1C 611568271 UEUAHTHHQZLTIW-LBPRGKRZSA-N 278.783 3.625 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(OC(F)F)c2)C1 617789219 AQLRGJFWZXWCQX-GFCCVEGCSA-N 295.329 3.716 30 20 CHED CCN(CC)C[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 360830889 DNMUZKCFYVRPMP-KXBFYZLASA-N 299.462 3.646 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)N[C@H](C)c1cccc(C#N)c1 610357688 RJLMSNNYBHOUML-QLFBSQMISA-N 299.418 3.839 30 20 CHED CC(C)c1ccc(C(=O)N(CC#N)C2CC2)cc1Cl 276008345 ACPLWULLJVSFRP-UHFFFAOYSA-N 276.767 3.592 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccncc2F)CCCC1 451520223 VUQQJEPWQHIXRY-LBPRGKRZSA-N 276.355 3.534 30 20 CHED Cc1cc(CS[C@H](C)c2cnccn2)ccc1C#N 362460541 LYZUOGMJJPANAF-GFCCVEGCSA-N 269.373 3.651 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc(Cl)ccc1F 272367519 ASWDQSJQJLCBBE-CQSZACIVSA-N 282.746 3.537 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@](C)(c2ccc(C)cc2)C1 451285124 AREVQYVPHSSPFW-GOSISDBHSA-N 271.404 3.697 30 20 CHED C=CCCc1noc(Cc2cccc(OC(C)C)c2)n1 453249609 VIEPHTHUWJGSKP-UHFFFAOYSA-N 272.348 3.566 30 20 CHED C=CCN(C(=O)c1ccccc1OCC)C(C)(C)C 622942462 MIXYLXWNKNCSSO-UHFFFAOYSA-N 261.365 3.512 30 20 CHED Cc1nc2ccccc2c(N2CCC(CC#N)CC2)c1C 542277867 CBHWZHAGYGVPCB-UHFFFAOYSA-N 279.387 3.982 30 20 CHED N#Cc1cccc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)n1 270009030 ACTSBFRAGPKDNN-PBHICJAKSA-N 293.370 3.533 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1c1cccc(C#N)n1 541207036 FXYXKFFGOPSCNI-GOEBONIOSA-N 277.371 3.726 30 20 CHED C=C[C@@H](Cc1nc(-c2ccc(C)nc2)no1)c1ccccc1 544959899 FWZGAWUSNXJHKF-AWEZNQCLSA-N 291.354 3.952 30 20 CHED CCC1(C)CCN(c2cc(C(C)=O)ccc2C#N)CC1 544410154 AXNJJFOZTIBCGO-UHFFFAOYSA-N 270.376 3.777 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 466426919 UFVKPILYFPIMLW-LSDHHAIUSA-N 296.336 3.811 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](SC)c1ccccc1 281017981 GHXACNIJYCBHEA-KGLIPLIRSA-N 263.406 3.562 30 20 CHED CC(C)c1[nH]ccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 556843808 INGNGDREZUCTRP-KRWDZBQOSA-N 287.407 3.730 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc2ccccc2n1 280958582 YLCVLCDHCMGTIG-OGWOLHLISA-N 296.414 3.867 30 20 CHED CSc1ccccc1[C@H](C)NC[C@H](C#N)CCC#N 281770109 SGXFBKVQWVDEED-STQMWFEESA-N 273.405 3.503 30 20 CHED C=CCCCCCCCC/N=C(\N)Nc1ccccn1 287252927 POFLJLJNGQXNHP-UHFFFAOYSA-N 274.412 3.725 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C1CC1)C(F)(F)F)c1ccccc1 288705331 XEMYDILZQIAKMQ-XHDPSFHLSA-N 297.320 3.803 30 20 CHED C=CCCc1nc(Cc2cc3ccccc3o2)no1 556382113 XHUHWIRMSMASQS-UHFFFAOYSA-N 254.289 3.525 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1sccc1C#N 280569780 RVIULJJVOVANQB-PWSUYJOCSA-N 262.378 3.775 30 20 CHED C=C(CNC(=O)C[C@H]1C=CCCC1)c1ccccc1 286615655 GESBZTWRSKUSAG-HNNXBMFYSA-N 255.361 3.562 30 20 CHED C=CCCc1noc([C@@H]2C[C@@H]2c2c(F)cccc2F)n1 297431657 VJLRAGBWRFBSHX-VHSXEESVSA-N 276.286 3.738 30 20 CHED C[C@H](C#N)OCCN[C@@H](CC(C)(C)C)c1ccccc1 801937849 XGJVHBHSKFQGMS-ZBFHGGJFSA-N 274.408 3.682 30 20 CHED Cc1sccc1CNc1ccccc1O[C@H](C)C#N 293208023 JEEAFEFGXKWHRP-LLVKDONJSA-N 272.373 3.960 30 20 CHED C=CCCCCCCNc1nc(O)c2ccccc2n1 804851304 VXCXPDPCJDRCMC-UHFFFAOYSA-N 271.364 3.884 30 20 CHED CC(C)CCc1ccc(NCCO[C@@H](C)C#N)cc1 802742426 MJGVQRLOOBXQQM-AWEZNQCLSA-N 260.381 3.616 30 20 CHED O=C(/C=C\c1cncs1)c1c(F)cccc1Cl 809158441 AKRLROKVMTVWCI-PLNGDYQASA-N 267.712 3.832 30 20 CHED c1cc2sccc2c(NN=C2CCC[C@H]3C[C@@H]23)n1 800810600 QXLDVAFNYXXSAP-GXSJLCMTSA-N 257.362 3.884 30 20 CHED C=CCOCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 293699978 CRRHQTFEBWTTKZ-CYBMUJFWSA-N 291.288 3.611 30 20 CHED COc1ccc2cc(CN(C)[C@@H]3CC[C@H](C#N)C3)ccc2c1 293508078 OCSGNQLYMMUIMQ-KBXCAEBGSA-N 294.398 3.972 30 20 CHED CCCC[C@H](SCc1cc(C#N)ccc1F)C(=O)OC 475902906 XKCINLNWTMVRPT-AWEZNQCLSA-N 295.379 3.662 30 20 CHED C=CCC[C@@H](NCCN1CCC(C)CC1)c1ccco1 560514297 JTIRSAKAFQCLIH-MRXNPFEDSA-N 276.424 3.608 30 20 CHED C#CCN(Cc1cc(F)c(C(F)(F)F)cc1F)C1CC1 805750376 JKUFMEDAGFWXLF-UHFFFAOYSA-N 289.247 3.581 30 20 CHED Cc1ccc2c(c1)N(CCCC(C)(C)C#N)C[C@@H](C)O2 477720921 RAWHVKCSXSYBJD-CQSZACIVSA-N 272.392 3.912 30 20 CHED C#C[C@@H](NC(=O)[C@@H](Cc1ccccc1)C(C)C)C(C)(C)C 807880194 FBPOYTRDCLRXPS-DLBZAZTESA-N 285.431 3.665 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cc(OC)ccc2OC)no1 564206704 RHBVYLCUGYMPGJ-INIZCTEOSA-N 288.347 3.608 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1CCCCC#N 296584673 FCLKGMWOFDWFNR-HLLBOEOZSA-N 256.393 3.947 30 20 CHED C[C@H](C#N)OCCSCc1ncc(-c2ccccc2)o1 802749526 GDEIXIPSHYMROR-GFCCVEGCSA-N 288.372 3.503 30 20 CHED CCN(CCC#N)CCOc1cccc(C(C)(C)C)c1 471211205 OOKYHPMJVIDRDO-UHFFFAOYSA-N 274.408 3.598 30 20 CHED C#C[C@H](NC(=O)C1(F)CCCC1)c1ccc(Cl)cc1F 804416785 SGTBFNYLCQDDLE-ZDUSSCGKSA-N 297.732 3.552 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(C(F)F)[nH]n2)CCCC1(C)C 640209577 IWJHGFBOVXDHBZ-LBPRGKRZSA-N 297.349 3.554 30 20 CHED C=CCCCCCCCCNC(=O)c1cccnc1F 807844055 SMRKYVFGKHXRSV-UHFFFAOYSA-N 278.371 3.867 30 20 CHED C=CCN(C(=O)c1ccc(Cl)cc1O)c1ccccc1 641896860 GVKIKMKCOZJAEE-UHFFFAOYSA-N 287.746 3.878 30 20 CHED COc1cc(CN2Cc3cccc(Cl)c3C2)ccc1C#N 809771929 PZKZQLLJXUHPOV-UHFFFAOYSA-N 298.773 3.736 30 20 CHED Cc1cccc(-c2noc(Cc3ccc(C#N)cc3)n2)c1F 485990434 NQUNWLPQHQFUHA-UHFFFAOYSA-N 293.301 3.647 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C=C(C1CC1)C1CC1 819737765 ZYZFHJRBFYZVBI-ZDUSSCGKSA-N 294.398 3.824 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)c1 483695582 BETFLVVFGGNBMJ-GOSISDBHSA-N 294.373 3.995 30 20 CHED Fc1ccc(CON=C2CCCc3occc32)cc1 814903321 DAPINHSOLXBVNH-UHFFFAOYSA-N 259.280 3.676 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1ccccc1C(=O)O 814768912 OKTFSYNJSBJDOY-UHFFFAOYSA-N 286.306 3.554 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC[C@H](F)C2)cc1OC 569120569 ZSCRBPHSPHWHCQ-GJZGRUSLSA-N 293.382 3.630 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnn(C(C)(C)C)c1CC 489908103 PUQAFWQGSONHAY-UHFFFAOYSA-N 291.439 3.533 30 20 CHED C=CCCCS(=O)(=O)N(c1cc(C)ccc1C)C(C)C 489246866 FIJAVGDOPFOTLA-UHFFFAOYSA-N 295.448 3.814 30 20 CHED C=CCN(C(=O)c1ccc(C(F)F)cc1F)C1CC1 653733447 OTILEBXNHBOKSK-UHFFFAOYSA-N 269.266 3.554 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc2c(c1)COC2 811691195 KADJTMNCKJBXLP-SREVYHEPSA-N 293.297 3.624 30 20 CHED CCCOc1ccc(C=NOC/C=C\Cl)cc1OC 811671589 HSSMHUAIMNDBHQ-VNJYQNSASA-N 283.755 3.587 30 20 CHED C=C(Cl)CN1C[C@H]2CCCCN2c2ccccc21 815228805 XAOWYEICZWVRFR-CYBMUJFWSA-N 262.784 3.618 30 20 CHED CC(C)(C)OC(=O)N[C@@H]1CCCCCC1=NOCC1CC1 814244084 DATFBWGKZLJUDV-CYBMUJFWSA-N 296.411 3.626 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1cn(CC)c2ccccc12 488880647 NVWPEAJNZFCRPG-INIZCTEOSA-N 296.414 3.771 30 20 CHED CSCc1cnc(C=NNc2cc(Cl)ccn2)s1 814898422 PLXQOGPESGILBQ-UHFFFAOYSA-N 298.824 3.501 30 20 CHED N#Cc1cccnc1Sc1cc(Cl)ccc1F 579746177 LQAGHPVTXSANOR-UHFFFAOYSA-N 264.712 3.897 30 20 CHED CCCOc1ccc(C=NNc2ccccc2C(=O)O)cc1 812445184 TYTUXVSPBCVICB-UHFFFAOYSA-N 298.342 3.620 30 20 CHED C=CCOc1cccc(NC(=O)NC2(C3CCC3)CC2)c1 650007622 XNRPBBLTAPSZQM-UHFFFAOYSA-N 286.375 3.706 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccncc1 815622808 GCOHWMPDPICIEB-LCSXWQTCSA-N 284.403 3.641 30 20 CHED C#Cc1ccccc1CC(=O)N([C@H](C)CC)[C@H](C)CC 813151082 VWKLRCLLDVTGGB-HUUCEWRRSA-N 271.404 3.636 30 20 CHED CCCN(CCc1ccncc1C)Cc1ccc(C#N)cc1 573242854 HUTXOHRIGBTHQZ-UHFFFAOYSA-N 293.414 3.716 30 20 CHED C=CCCCCCCCNCc1ccc2c(c1)nnn2C 810159993 PTVVRMDNRNGXFL-UHFFFAOYSA-N 286.423 3.585 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OC1(CC#N)CCC1 810859486 LNYRRFLQPMHYKP-NEPJUHHUSA-N 275.373 3.540 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CS[C@H](C(C)C)C1 488591394 QGNXDGHXTBVHDK-DOMZBBRYSA-N 276.405 3.509 30 20 CHED CCc1ccccc1NN=C(C)c1csc(C(=O)O)c1 814801629 JOOVWYLHELUNAK-UHFFFAOYSA-N 288.372 3.845 30 20 CHED C=CCCC[C@@H](C)N1CCC[C@@H](C(C)(C)C(=O)O)C1 652497766 GVLCEOMTAHMMNU-ZIAGYGMSSA-N 267.413 3.554 30 20 CHED C=CCN(CCOC)[C@@H](C)c1ccccc1Br 484674283 BQWKTICNXWEBHD-LBPRGKRZSA-N 298.224 3.645 30 20 CHED C#Cc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2)nc1 728800350 WJHIJLGKIKRXSW-UHFFFAOYSA-N 279.339 3.580 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1(C)C 572023768 RCVOUXQURXWPSP-NSHDSACASA-N 289.354 3.597 30 20 CHED N#Cc1cccc(C=NNc2ccc(OC(F)F)cc2)c1 726427455 YCOOLFBEMJODEJ-UHFFFAOYSA-N 287.269 3.606 30 20 CHED CC/C=C(/C)C(=O)N(CCC#N)c1ccc(C)cc1 729348363 YYFRDFLMXDKPAI-NSIKDUERSA-N 256.349 3.598 30 20 CHED C=CCCOC(=O)C1(c2ccc(OC)cc2)CCCC1 729072424 LUKUEMPCGHVMIT-UHFFFAOYSA-N 274.360 3.626 30 20 CHED CC[C@H](C(=O)NC(C)(C)C#N)c1cccc(C(F)(F)F)c1 576064333 ZWIJTKFUAIZTTB-LBPRGKRZSA-N 298.308 3.617 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(C)cc(C)c2)c1 728481254 SAZIALYAMCKBLA-UHFFFAOYSA-N 277.367 3.951 30 20 CHED COc1cccc(NN=C(C)c2ccc(C)c(C)c2O)c1 728156296 FRNMEHIDTVSRJK-UHFFFAOYSA-N 284.359 3.854 30 20 CHED Cc1cc2ncn(CN(CCC#N)CC(C)(C)C)c2cc1C 729468793 ZRNFPKPKBARWJT-UHFFFAOYSA-N 298.434 3.872 30 20 CHED C#CC1CCN(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)CC1 825660199 GNFAIEMZNUTBJA-GOSISDBHSA-N 296.414 3.501 30 20 CHED C=CC[C@H]1N(c2nnc(CC)n2CC=C)CCCC1(C)C 583533991 SAIPYNNOTMAEIY-CQSZACIVSA-N 288.439 3.598 30 20 CHED C=CC[C@H](C)C(C)=NNC(=S)Nc1ccc(C)cc1 727776617 CUMZZJZFEIQPAG-LBPRGKRZSA-N 275.421 3.870 30 20 CHED C#CCOc1ccc(CN[C@@H](C)CCC(C)C)cc1 733322677 ABLIIOQJJDCMCW-HNNXBMFYSA-N 259.393 3.613 30 20 CHED C=C(C)CCN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 495746641 NFXUQNRMECPWKO-CQSZACIVSA-N 296.455 3.578 30 20 CHED CS[C@@H]1CCCC(=NNc2ncnc3sccc23)C1 901155619 QARXFDYUXASFFN-SNVBAGLBSA-N 292.433 3.765 30 20 CHED COc1ccccc1C(C)=NNc1cc(F)c(F)cc1F 734302734 MGTZRIVSYWWUFM-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 837566027 QWFISIWSYJVICT-IRXDYDNUSA-N 283.415 3.564 30 20 CHED CC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1 903083039 YNJUAPCTCCFKAF-JHJVBQTASA-N 268.282 3.550 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)ccc2F)C1 664334146 VQWTVPVLHGMFFZ-CYBMUJFWSA-N 276.355 3.954 30 20 CHED C=CC(C)(C)COC(=O)[C@@H](CC)CC(F)(F)F 835722879 ZBVMMHULZSGRQY-VIFPVBQESA-N 252.276 3.720 30 20 CHED C=CC[C@@H](NC(=O)N(CCCC)C1CC1)c1ccncc1 734678628 IFRFKXHWBSMSQC-MRXNPFEDSA-N 287.407 3.673 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)/C=C\c1ccccc1C#N 733945624 ZXHRDPQFLQJUQQ-GAIILCQZSA-N 296.414 3.904 30 20 CHED CC[C@H](C)NN=C1CCC(OC2CCCC2)CC1 834973368 NZPOUDQGOUWLHY-SFVWDYPZSA-N 252.402 3.632 30 20 CHED N#Cc1ccc(NC(=O)CCCC2CC2)c(Cl)c1 589787087 AWUUIRUOKZTOAN-UHFFFAOYSA-N 262.740 3.730 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2cn(C(C)C)nn2)c1 901523276 FCCZCVBWUARMTD-CMDGGOBGSA-N 299.374 3.544 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2csc(C)c2)cc1 834889849 GLRMXFJWIFSDEC-CQSZACIVSA-N 285.412 3.919 30 20 CHED C=CC[C@H]1CCCN(Cc2nc(Cl)cs2)C1 877624587 RAZSULUNZQMLKN-JTQLQIEISA-N 256.802 3.585 30 20 CHED Cc1ccc(N(C)[C@@H]2CCCN([C@@H](C)CCC#N)C2)cc1 839552204 ZWYFWZVRLWXNHN-FUHWJXTLSA-N 285.435 3.588 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@@H](C(C)C)CC2)c1 734204949 PZASVBKMUWFYSX-MRXNPFEDSA-N 284.403 3.958 30 20 CHED C=CCC1(NC(=O)c2cc3occc3[nH]2)CCCCC1 836957884 ZAUFAOLTDLIIPW-UHFFFAOYSA-N 272.348 3.770 30 20 CHED C#CCCCCCC(=O)OCCc1cccc2ncccc12 835658482 HCRYGTBOQYOKDO-UHFFFAOYSA-N 295.382 3.904 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc2nc(C3CC3)oc2c1 837459313 NPTBQCOANVHPNV-UHFFFAOYSA-N 282.343 3.693 30 20 CHED O=C(/C=C\c1ccccc1F)c1ccc2c(c1)CCO2 834874492 LMJCNZGHQJSPKL-ALCCZGGFSA-N 268.287 3.657 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ncc(F)cc1F 835022892 VCMSYMDKMVYIBU-ZJUUUORDSA-N 253.296 3.584 30 20 CHED N#Cc1ccc(COC(=O)c2cnc3ccsc3c2)cc1 744115515 HUBAQCDGOITLMN-UHFFFAOYSA-N 294.335 3.525 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCSc2ccccc2)C1 839058677 TVJXEOAJRZPJOS-KGLIPLIRSA-N 289.400 3.794 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc2c(Cl)cccc2s1 594097966 QLWMSKLIRZHWBL-SECBINFHSA-N 292.791 3.929 30 20 CHED CC1(C)CN(c2nc3ncccc3cc2C#N)[C@@H]2CCC[C@@H]21 596247023 KQIGEFZPCUNOJL-LSDHHAIUSA-N 292.386 3.516 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Oc2ccc(C#N)cc2)C1 749784841 QSXBOBKWEBDPMY-OCCSQVGLSA-N 257.333 3.680 30 20 CHED C=CCCCOC(=O)c1cc(Oc2ccccc2)ccn1 745762297 VRLWVCQWZYTTFM-UHFFFAOYSA-N 283.327 3.997 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)c([N+](=O)[O-])s1 596244005 NMRUSDOUDDKCDS-UHFFFAOYSA-N 267.354 3.707 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1ccc(C)o1 915050850 FJDBACHPXLYHRZ-UHFFFAOYSA-N 283.253 3.838 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@H](C2CCCCC2)C1 598153517 NPKJFGUZGMGKOL-AWEZNQCLSA-N 286.375 3.502 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)cc1)C2 747439425 ADOYHCLPBGULGS-DHDCSXOGSA-N 264.324 3.826 30 20 CHED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C(F)F 590778701 NBRKNTCVOCJASZ-KGLIPLIRSA-N 264.319 3.569 30 20 CHED CCc1cccc(NC(=N)NCC(C)(C)CCC#N)c1 849028561 NTYYUGQECVIAPH-UHFFFAOYSA-N 272.396 3.515 30 20 CHED N#CC[C@@H]1CCCN(CCOc2cccc3ccccc23)C1 595613551 FHUVEIWZONRIMH-INIZCTEOSA-N 294.398 3.844 30 20 CHED CC1(C)C(=NNc2ccc(Cl)cc2)[C@@H]2CCCO[C@@H]21 743419733 YUWAFHZEPNJOPT-JSGCOSHPSA-N 278.783 3.943 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cc(F)c(O)c(F)c1 749895113 YRKCFDGTCXWIAL-IHWYPQMZSA-N 280.295 3.936 30 20 CHED CC(C)=CCCC(C)=Nn1c(S)nnc1-c1ccco1 749156424 DJNDZLDAPDEABG-UHFFFAOYSA-N 290.392 3.797 30 20 CHED C=C(C)COC(=O)C1(c2cccc(F)c2)CCCC1 916587740 AYXTZQFEKHVPBX-UHFFFAOYSA-N 262.324 3.757 30 20 CHED N#Cc1ccc(CNCCC[C@@H]2CC2(Cl)Cl)s1 846105136 ONOPSGVAMIRNFQ-SECBINFHSA-N 289.231 3.683 30 20 CHED Cc1cc(C)nc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1 842945809 SIPAJCDNJDGJMW-GFCCVEGCSA-N 297.383 3.522 30 20 CHED CCOc1cccc(/C=N\CCC2CC(F)(F)C2)c1O 840711012 UHGCTHDVRKBSNR-ZDLGFXPLSA-N 283.318 3.645 30 20 CHED C#CCOc1cccc(NC(=O)CCCC2CCCC2)c1 742650521 QYXIVGQOOFILDP-UHFFFAOYSA-N 285.387 3.998 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)Oc2ccccc21 742436317 JXNAXFSWALJRRR-RIYZIHGNSA-N 258.223 3.581 30 20 CHED C=C(C)CONC(=O)NC1CCC(c2ccccc2)CC1 844284349 CVUGYYWKOZKBEN-UHFFFAOYSA-N 288.391 3.520 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCCc2ccsc2)c1 840607038 ODHIKWIOTYNWAZ-JKSUJKDBSA-N 297.379 3.509 30 20 CHED C=CC[C@@H](N[C@@H](COC)CC(C)(C)C)c1ccncc1 845942801 XEEATAUAANAXOO-HZPDHXFCSA-N 276.424 3.740 30 20 CHED CC(C)(C)CN(CCC#N)c1ncnc2ccc(F)cc12 594568599 VVXIHVCWFYCYOJ-UHFFFAOYSA-N 286.354 3.535 30 20 CHED C[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CCCCC1 593983617 FQXNGESFSWTKIP-CABCVRRESA-N 298.430 3.822 30 20 CHED CN(CCc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 595290177 JBRKONXAWKVWLZ-IBGZPJMESA-N 276.383 3.720 30 20 CHED Oc1ccccc1/C=N\Cc1sccc1Br 746682597 DNPLCHFRTOWYGQ-AUWJEWJLSA-N 296.189 3.835 30 20 CHED N#Cc1cccc(COC(=O)C2CCCCCCC2)c1 744119574 PLZRIFHGUWSUSI-UHFFFAOYSA-N 271.360 3.962 30 20 CHED C=CCCCC(=O)Nc1ccc(C)c(NC(C)=O)c1C 748296720 KQUGINSFGJFRHU-UHFFFAOYSA-N 274.364 3.557 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C#Cc1ccccc1 747354335 AQRLAWRDXGODNO-CQSZACIVSA-N 297.785 3.911 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 594084275 BMLXPOPNHXPHJX-YOEHRIQHSA-N 286.419 3.749 30 20 CHED Oc1ccccc1/C=N/CCCCOCCc1ccccc1 917556823 NRBHYKDSGXBURL-CAPFRKAQSA-N 297.398 3.851 30 20 CHED N#CCN(C(=O)[C@H]1CCC(F)(F)C1)c1ccc(Cl)cc1 592653262 RTMPNIMQJUYLOE-JTQLQIEISA-N 298.720 3.632 30 20 CHED CCCCCCC[S@@](=O)Cc1nnc(C(C)C)s1 841722413 NRMVTXDPXYMOEV-GOSISDBHSA-N 288.482 3.881 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 597993785 DESUAWFHOUEBOU-QZTJIDSGSA-N 296.414 3.574 30 20 CHED C/C(=C/C(=O)N1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 928220759 LDTYLTKGWYLWJT-FSBNRTBOSA-N 288.778 3.505 30 20 CHED C=C(C)CCOC(=O)c1cc(C)n(-c2cc(C)on2)c1C 744304413 VJBNFOYOSMAURQ-UHFFFAOYSA-N 288.347 3.514 30 20 CHED CCCC(=NNC[C@@H]1CCSC1)[C@@H]1CC1(C)C 841638283 ASWPCFPNZJIJTF-RYUDHWBXSA-N 254.443 3.531 30 20 CHED CCN(C(=O)/C=C(/C)C(C)(C)C)c1ccc(C#N)cc1 753167024 ARNXBISKLGXCER-QBFSEMIESA-N 270.376 3.904 30 20 CHED CC(C)CN(Cc1ccccn1)C(=O)C1(C#N)CCCCC1 928742681 YCDRZHRGFVGUHH-UHFFFAOYSA-N 299.418 3.540 30 20 CHED C#Cc1cccnc1NC1CCN(CC2CCCCC2)CC1 853236441 BIRVCUKOPUGICK-UHFFFAOYSA-N 297.446 3.520 30 20 CHED C=CCCN[C@H](C)c1ccc(OC)c(CN(CC)CC)c1 850503028 ZZINAXQZEJVMHZ-OAHLLOKOSA-N 290.451 3.764 30 20 CHED CCc1ccccc1NN=C1C(=O)Nc2cccc(Cl)c21 750938115 XZDHMHMRXVYGNL-UHFFFAOYSA-N 299.761 3.671 30 20 CHED N#Cc1ccc(F)cc1COC(=O)/C=C\c1ccccc1F 759354505 PTTXIFJRAGJKTG-VURMDHGXSA-N 299.276 3.593 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1oc2ccccc2c1CC 854706271 XYTCYLUWDYUYCI-KRWDZBQOSA-N 269.344 3.527 30 20 CHED O=C(OCC#Cc1cccc(F)c1F)C1(F)CCCCC1 857071584 LKAMJDQSZRNYCU-UHFFFAOYSA-N 296.288 3.532 30 20 CHED C/C(=C/C(=O)N(C1CC1)[C@@H](C)C#N)c1ccccc1Cl 855583866 KBJKQSYKANAOIV-MMRAYRKESA-N 288.778 3.646 30 20 CHED Cc1ccc(NN=Cc2cnc(C3CC3)s2)cc1F 853438782 NLMKPIMOAWORDQ-UHFFFAOYSA-N 275.352 3.914 30 20 CHED COc1cc(NN=Cc2nccn2C(C)C)ccc1Cl 853340258 RKDITRKFSBIYMP-UHFFFAOYSA-N 292.770 3.572 30 20 CHED CCc1cccc2c1OCC[C@H]2/N=C\c1cccc(O)c1O 750950200 QANCKZDAMGGGAO-MXDDHBLUSA-N 297.354 3.603 30 20 CHED CCCC1(C(=O)OCc2ccc(C#N)cc2F)CCC1 759448675 ADWNMAVYGNHBJN-UHFFFAOYSA-N 275.323 3.711 30 20 CHED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccccc1 49371759 DQFSAUVQSKATCR-SOFGYWHQSA-N 258.704 3.942 30 20 CHED Cc1cc(OC(=O)c2ccc(Cl)c(C#N)c2)ccc1F 754362791 RYSLNZUUJMYFOB-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C#CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 753949621 QYYVLLHMXILAKZ-UHFFFAOYSA-N 284.384 3.679 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccc2c(c1)CCO2 759077613 UVNIXKQPCZKILH-DUXPYHPUSA-N 291.759 3.628 30 20 CHED CCCCCCC[C@H](C)CNC(=O)/C=C/SC 751565080 YASRQJFZNSHUFM-NHAQELONSA-N 257.443 3.976 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(F)cc2C)C12CCC2 750945092 DRIXZDIZQWMOIB-OAHLLOKOSA-N 276.355 3.881 30 20 CHED C=C(C)COCCNC(=S)Nc1ccc(C(C)C)cc1 761826587 CQPCMQSYTFFOHQ-UHFFFAOYSA-N 292.448 3.689 30 20 CHED C=CCCC(=O)OCc1cccc(Br)c1C 761399133 SKPAHEHCOFPVKF-UHFFFAOYSA-N 283.165 3.767 30 20 CHED CC(=NNCCCc1ccccc1)c1occc1C 767784069 BAISNKMYPJSQOT-UHFFFAOYSA-N 256.349 3.534 30 20 CHED Cc1cnc([C@@H](C)N2CCC(c3ccc(C#N)cc3)CC2)o1 933608753 BJWMMDFWGXYSPG-CQSZACIVSA-N 295.386 3.795 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCc2ccc(Cl)cc21 863637713 QOPNQTFIIQQEBL-OAHLLOKOSA-N 275.779 3.637 30 20 CHED CCCCCCCCC(=O)OCc1cc(C)n(C)n1 768005282 KZYRUUHTRRVKQI-UHFFFAOYSA-N 266.385 3.522 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1COc2cc(Cl)ccc21 860709417 NCRHQKKOZKXMCT-CYBMUJFWSA-N 293.750 3.647 30 20 CHED C=C[C@H](CC)CC(=O)NCCc1c[nH]c2cc(F)ccc12 931213249 WIHDNKBIAWFISJ-GFCCVEGCSA-N 288.366 3.568 30 20 CHED Clc1ccc2c(c1)C(=NOCc1cccnc1)CCC2 761271617 HLQWMLUWNYUKHZ-UHFFFAOYSA-N 286.762 3.992 30 20 CHED C=CC[C@@H](CCc1ccccc1)OC(=O)c1conc1C 860733382 IBDZSAOTNIZOQS-HNNXBMFYSA-N 285.343 3.717 30 20 CHED CNCC1(c2ccc(-c3cccc(C)c3C#N)cc2)CC1 863690819 WTSXKJUYVIBCIT-UHFFFAOYSA-N 276.383 3.785 30 20 CHED Fc1cccc(Cl)c1NN=C1CC(C(F)F)C1 769827175 QKGSBTLRCZNACX-UHFFFAOYSA-N 262.662 3.922 30 20 CHED CCC[C@H](C)c1noc(C2(c3cccc(C#N)c3)CC2)n1 1116589296 JFVURDCSKBTBSC-LBPRGKRZSA-N 281.359 3.925 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 769656300 ZZHIGKOJITVESD-GFCCVEGCSA-N 282.387 3.559 30 20 CHED Cc1n[nH]c(C)c1/C=C1/Cc2ccc(Cl)cc2C1=O 762447613 QKDPZSDOTHQWPR-WDZFZDKYSA-N 272.735 3.502 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1ccc(CC#N)cc1 58242934 RGTWEJBBPFXISE-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C=C(Cl)CN[C@@H](C)c1cnn(-c2ccccc2)c1C 773003931 IRUQAHJZIWOAMT-LBPRGKRZSA-N 275.783 3.584 30 20 CHED C[C@@H]1CCC[C@@H](OCC(=O)O[C@H](C#N)C2CCCCC2)C1 776384191 DTLHVMCYMIXSSL-FVQBIDKESA-N 293.407 3.597 30 20 CHED COc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1F 779459647 FLWICWCMXNZGPD-RQOWECAXSA-N 291.709 3.779 30 20 CHED C=C(CC)COC(=O)c1ccccc1Oc1cccnc1 773504802 WPAJVWWBBDGZNR-UHFFFAOYSA-N 283.327 3.997 30 20 CHED CSc1cccc(N=Cc2cccc(O)c2O)c1C 774540387 DXWIFZSDGFBDEZ-UHFFFAOYSA-N 273.357 3.879 30 20 CHED N#CCc1ccc(COC(=O)/C=C\c2ccsc2)cc1 776114237 NCLYUVSNCOOEIT-WAYWQWQTSA-N 283.352 3.571 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)c1ccc[nH]1)c1ccccc1 777762627 MHECFTHWRTXMIW-HIFRSBDPSA-N 268.360 3.552 30 20 CHED CC(=NOC(C)(C)C)c1cnn(-c2ccc(F)cc2)c1C 1116409469 XGVOTIOQXDVSAW-UHFFFAOYSA-N 289.354 3.859 30 20 CHED C#CCCCCC(=O)Oc1ccc(Cl)cc1C 773213316 SHWFUTNCRRVPGP-UHFFFAOYSA-N 250.725 3.747 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1cccc(C)c1C 775405494 BLXQEKMVBVFMQA-UHFFFAOYSA-N 294.354 3.959 30 20 CHED Cc1ccc(CON=Cc2ccc([N+](=O)[O-])o2)c(Cl)c1 774798344 XCFMBMULIBEQID-UHFFFAOYSA-N 294.694 3.700 30 20 CHED C#C[C@H](OC(=O)c1coc2cc(C)c(C)cc12)C1CC1 770899409 SYFKIAIWESXQSA-HNNXBMFYSA-N 268.312 3.618 30 20 CHED N#Cc1ccc(NN=C2CCCOCC2)cc1C(F)(F)F 770600855 CHWIYTRPWCSANV-UHFFFAOYSA-N 297.280 3.545 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(C)c(OC)c1 773034383 KMLBFGAEWVSOTH-UHFFFAOYSA-N 293.370 3.798 30 20 CHED C[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)C1CCCC1 776394268 WJZCUGRHESMDPQ-IUODEOHRSA-N 263.381 3.828 30 20 CHED C=C(C)CCC(=O)Nc1cc(NC(=O)C(C)C)ccc1C 1120871438 BSHSLFIJHXPRQL-UHFFFAOYSA-N 288.391 3.884 30 20 CHED Cc1ccc(CC(=O)Nc2cccc(C#N)c2)cc1Cl 1124268726 RRJDNKUSVBIMEJ-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 1128832493 YVAYQMYBWQORAL-SWLSCSKDSA-N 293.370 3.871 30 20 CHED C=C(C)[C@@H](NCC(=O)OCCCC)c1ccc(F)c(F)c1 775725034 SCHVMUXOLJGLMZ-MRXNPFEDSA-N 297.345 3.515 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1sccc1O 773143157 NIRIPJZAWCDAKU-MVTUOISNSA-N 256.326 3.906 30 20 CHED CCCCc1oc2ccccc2c1C=Nn1ccccc1=O 776787107 NGOMKCJHTUUZMZ-UHFFFAOYSA-N 294.354 3.819 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(SCC)cc1 883775687 GXRGJBJQOFBBFK-UHFFFAOYSA-N 278.421 3.516 30 20 CHED N#C[C@@H](Sc1nc2cccc(F)c2s1)C1CC1 882346401 QFJBNUUJOKJDGB-SNVBAGLBSA-N 264.350 3.830 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1cccc(Cl)c1 785758435 WUKMATHQXRTZIF-HNNXBMFYSA-N 280.751 3.668 30 20 CHED C=CCNC(=S)N(c1cnc2ccccc2c1)C(C)C 788330518 BTHQKQMIYYVETN-UHFFFAOYSA-N 285.416 3.510 30 20 CHED COc1ccc(NN=C2C=C(C)CC(C)(C)C2)nc1 780270192 DOBWXJJZPMNNDF-UHFFFAOYSA-N 259.353 3.624 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1oc(C2CC2)nc1C(F)F 1121089022 ZHSOLLJKMGFYIV-SECBINFHSA-N 298.333 3.964 30 20 CHED Cc1cc(C(=O)O[C@H](CC#N)c2ccco2)sc1C 1123368991 JZYGEBOPIVUJGN-GFCCVEGCSA-N 275.329 3.770 30 20 CHED C/C=C\C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485915 OAWSWEIFOFBOQT-MFBWXBCUSA-N 290.366 3.979 30 20 CHED N#Cc1ccc(NN=C2CC3(CCC3)C2)cc1Cl 783878523 XFVYIVIPGRCYKC-UHFFFAOYSA-N 259.740 3.944 30 20 CHED C=C[C@H](C)OC(=O)CCc1c[nH]c2cc(C)ccc12 781580582 RZFMRDQIHOMXGI-LBPRGKRZSA-N 257.333 3.527 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OCOCC)cc1 787310578 OXDSCAXVYBDZAM-MRXNPFEDSA-N 275.392 3.600 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2nc(C)cc(C)c2C#N)c1 1130814822 FXCVNCYRZWKOPN-UHFFFAOYSA-N 299.761 3.784 30 20 CHED C=CC[C@@H](NC(=O)N(CC1CC1)C(C)C)c1ccncc1 893042922 WTNLNKCOMLHSKY-MRXNPFEDSA-N 287.407 3.529 30 20 CHED C=C1CCC(C(=O)N2CCc3ccc(C)cc3C2)CC1 892814808 SJZAWGQLOCEHKY-UHFFFAOYSA-N 269.388 3.626 30 20 CHED c1ccc2nc(NN=C3CCC4(CCCO4)CC3)cnc2c1 788021215 ZVMQBNRFOCIXHC-UHFFFAOYSA-N 296.374 3.521 30 20 CHED CC(C)(C#N)CC(=O)OCCSc1ccc(Cl)cc1 785079737 FZPDUXMZQXMUDH-UHFFFAOYSA-N 297.807 3.915 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2ccc(CC#N)cc2)C1(C)C 893575916 LGQALWJXKOMMDU-HZPDHXFCSA-N 272.392 3.757 30 20 CHED CCc1ccc(NC(=O)Nc2cccc(CC#N)c2)cc1 1202944253 MRRIIXIZTRMBAP-UHFFFAOYSA-N 279.343 3.959 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C)cn1 791863104 BNAZKAYRYLIPIM-UHFFFAOYSA-N 280.371 3.609 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1ccccc1C1CC1)C2=O 794962315 NWYMBYQGVXYNIA-GXDHUFHOSA-N 278.355 3.510 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2c(s1)CCCC2 683844698 ZIZDNSYGUDYRFS-GFCCVEGCSA-N 262.422 3.562 30 20 CHED COc1cccc(Cl)c1C/N=C/c1ccccc1O 790099055 LTMHLRKANKZHFD-RQZCQDPDSA-N 275.735 3.673 30 20 CHED CC(C)C(CN(CCC#N)Cc1ccccn1)C(C)C 556599117 YTYIMVDRIRDHPL-UHFFFAOYSA-N 273.424 3.725 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNc1ccc(Cl)nn1 797398386 RTWRORZMAWBJMM-UWVGGRQHSA-N 266.776 3.744 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cc(C#N)c(F)cc1F 1132689265 DDXBZODVNBKXJN-VIFPVBQESA-N 280.318 3.847 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccncc1 799718495 CVJKNPQLDGKYIW-SUMWQHHRSA-N 268.360 3.755 30 20 CHED C#C[C@@H](OC(=O)c1c(-c2ccccc2C)noc1C)C1CC1 796787537 AFIFJLUVIPZALV-OAHLLOKOSA-N 295.338 3.527 30 20 CHED Fc1cccc(NN=C2CC[C@H]3CCCC[C@@H]3C2)n1 795009959 QMNKXUUICBYZCP-VXGBXAGGSA-N 261.344 3.979 30 20 CHED Cc1cc2ccccc2nc1N1CCC(CC#N)CC1 569701306 IQSVMEWWHXAFSF-UHFFFAOYSA-N 265.360 3.673 30 20 CHED C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@H](C)C(C)(C)C#N 797177084 KLORTTCUFZYPDI-UONOGXRCSA-N 298.386 3.759 30 20 CHED CCCC(CC)=NNc1ccc(C)c(C(=O)OC)c1 793089620 KILIODLBRVXOQL-UHFFFAOYSA-N 262.353 3.760 30 20 CHED CC(=NNCC(F)(F)F)[C@H](C)c1ccc(Cl)cc1 794533943 CCLXLVBFFUDHGO-QMMMGPOBSA-N 278.705 3.971 30 20 CHED CCCCCCC[C@@H](C)N[C@H]1CCn2ccnc2C1 779194167 WOSXOHHPRFUNBA-CABCVRRESA-N 263.429 3.537 30 20 CHED C[C@H]1N(c2ncc(C#N)cc2F)c2ccccc2C1(C)C 1307167418 ABAUUPQDHRZEDK-LLVKDONJSA-N 281.334 3.910 30 20 CHED CC(C)CC[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C(C)(C)C 1227872414 OJGXRIYLNBRBAX-RRFJBIMHSA-N 293.455 3.829 30 20 CHED CCOc1ncc(C)cc1N[C@@H](C)CC(C)(C)C#N 1308783642 BITIDIYKSVTYSU-LBPRGKRZSA-N 261.369 3.529 30 20 CHED CC[C@H](Cc1ccc(F)cc1)NCc1ccc(C#N)cc1 1308461458 QDBDAPZRIIUHQL-GOSISDBHSA-N 282.362 3.808 30 20 CHED N#Cc1cnc(NCC[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 1472678442 UYXGKVIFXANZAA-DRZSPHRISA-N 275.783 3.845 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)/C(=C\c1cncs1)C2=O 1319226258 DMGIMLQZWPWBBX-WUFUFFIZSA-N 271.341 3.541 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 1324494505 JJHOKZYRBYFKDJ-SECBINFHSA-N 280.368 3.814 30 20 CHED Cc1cccc(CSCc2cc(C#N)ccn2)c1 1643929530 ZPKDAFVWQGMKGF-UHFFFAOYSA-N 254.358 3.695 30 20 CHED N#CC1(CC(=O)OCC#Cc2ccc(F)cc2)CCCCC1 1328047799 ZTTRRDZNOBMBBS-UHFFFAOYSA-N 299.345 3.585 30 20 CHED N#Cc1cccc(CN2CC[C@@H]2c2ccc(F)cc2)c1 1647430492 RQADNVNSWXSJHS-QGZVFWFLSA-N 266.319 3.644 30 20 CHED Cc1cc(C=NNCc2ccc(F)cc2)cc2cccnc12 1320142315 FYTQRCZWIZXYBT-UHFFFAOYSA-N 293.345 3.806 30 20 CHED C=C(C)CCC(=O)N(CC(F)F)c1ccc(F)cc1 1337543437 AOJXTEWESSMCOH-UHFFFAOYSA-N 271.282 3.780 30 20 CHED CC(C)c1cccc(N(C)Cc2cc(C#N)ccn2)c1 1190511405 VHUIPHMHGRXHOT-UHFFFAOYSA-N 265.360 3.713 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1 1347251003 TVFKOHUWIAHYGW-ZDUSSCGKSA-N 291.391 3.627 30 20 CHED CC[C@H](C#N)N(CC)C(=O)C[C@H](C)c1c[nH]c2ccccc12 1349906924 NJFGETSAQGXPJI-UONOGXRCSA-N 297.402 3.812 30 20 CHED Cc1coc(C(=O)Nc2cccc(OCCCC#N)c2)c1C 1342222562 KBAHVMFURLLEFM-UHFFFAOYSA-N 298.342 3.831 30 20 CHED N#C[C@@H](C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1cccc(F)n1 1342710602 MZVLDPXHBJABBQ-IATRGZMQSA-N 286.350 3.613 30 20 CHED C=CCC1(c2nnc(COc3ccccc3F)o2)CCC1 1345555553 GMSINCMWNCEDRA-UHFFFAOYSA-N 288.322 3.786 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](CC)c1ccncc1 1346218152 JAVSNINANSRDKD-HOTGVXAUSA-N 287.407 3.673 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C[C@H](C)CC(C)(C)C 1263616746 HBVSLGCBJQNTGP-QWHCGFSZSA-N 275.396 3.542 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2ccc(C#N)cc2)CC[C@H]1C 1264212415 FYBFYCDMCSEEOT-MBNYWOFBSA-N 256.349 3.569 30 20 CHED CCN(C(=O)c1csc(C#N)c1)[C@H]1CCCC[C@H]1C 1348086570 HROUJOGSHOYNAU-RISCZKNCSA-N 276.405 3.661 30 20 CHED C#CC1CCN(C(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 1351035394 RPOZLWQZQBFWFZ-MOPGFXCFSA-N 295.426 3.517 30 20 CHED C=C(CC)C(=O)N1CCCC[C@@H]1c1ccccc1OC 1527668663 VFMAKFZIGMAZHC-OAHLLOKOSA-N 273.376 3.715 30 20 CHED CS[C@@H]1CCC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1 224660356 SWBKHARZPMUKLB-APHBMKBZSA-N 274.433 3.883 30 20 CHED C[C@@H](CC(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)C 111617044 GHQQAIMGXXUQHI-JTQLQIEISA-N 262.328 3.708 30 20 CHED CCCC[C@@H](CCC)Nc1ccc(C(=O)OC)nc1C#N 1458233716 ONCUHZORMCHETK-GFCCVEGCSA-N 289.379 3.511 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2cc(F)cc(C#N)c2)c1 1462171433 SLUOSMGNJCSQJM-UHFFFAOYSA-N 296.345 3.886 30 20 CHED Cc1cc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)ncc1C#N 1472696405 MOQSHAHKLZUEPH-UMVBOHGHSA-N 255.365 3.642 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C 1617387663 JBNNQKAHPJJOGZ-GFCCVEGCSA-N 297.333 3.684 30 20 CHED CC(C)C[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 1559649551 JDNMJMVCZDTXFM-KRWDZBQOSA-N 286.419 3.695 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1c1cccc(C#N)n1 1652255821 ZGLHEYOMEDPZDU-RHSMWYFYSA-N 277.371 3.726 30 20 CHED Cc1ccc(C(C)(C)CNc2nc(C)ccc2C#N)cc1 1655101140 IWLUNWNLFFUDLI-UHFFFAOYSA-N 279.387 3.960 30 20 CHED N#Cc1ccc(Sc2nc3ccccc3nc2F)c(F)c1 1650764943 LVXQOULOFIVHCE-UHFFFAOYSA-N 299.305 3.931 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cc(C(=O)O)c(C)o1 1777477186 GRYDEARBUKJBNS-ONEGZZNKSA-N 276.313 3.552 30 20 CHED C=CCC1(C(=O)O)CCN(CCCC2CCCC2)CC1 1776159982 NSURUCBLGQISIH-UHFFFAOYSA-N 279.424 3.700 30 20 CHED C=C1CC(CN2CCC3(CCC(CC(=O)O)CC3)CC2)C1 1776144629 SUKUMVFYEHKMJO-UHFFFAOYSA-N 291.435 3.700 30 20 CHED CCCC(=NNc1cccc(C(=O)O)c1)[C@H]1CC1(C)C 1776037431 HUBLOHJPJVIQLX-CYBMUJFWSA-N 274.364 3.999 30 20 CHED C=CCCCCCN1CC(C)(C)CC[C@H]1CC(=O)O 1776173039 MLTRDUXOVFSPGR-AWEZNQCLSA-N 267.413 3.698 30 20 CHED C=CCN(Cc1ccc(Cl)cc1)[C@@H](CC(C)C)C(=O)O 1776180587 UHJLRCAVIRRTDO-HNNXBMFYSA-N 295.810 3.827 30 20 CHED N#CCC[C@@H](NC(=O)/C=C/c1cccs1)c1ccccc1 153681444 UZZXQQRKXDSZME-SIFUEBAJSA-N 296.395 3.923 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N(C)CCC#N)cc1 157043848 AURUQXMIFNXYLD-AWEZNQCLSA-N 272.392 3.676 30 20 CHED Cc1cc(C)cc(COc2cccc(F)c2C#N)c1 155634481 WJTCKXAWQNJJHK-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12 154124156 ZPFBSVGLQWBXAO-BZUAXINKSA-N 281.440 3.811 30 20 CHED C=CCCCCCN(C)C(=O)c1ccccc1-n1cccn1 156768809 ZCEXGJOMWWVAOC-UHFFFAOYSA-N 297.402 3.691 30 20 CHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1cccc(O)c1 207712313 FKNPHEZKVSDIOL-XQRVVYSFSA-N 274.703 3.647 30 20 CHED CCc1nnc(Nc2ccc(C)cc2)c(C#N)c1CC 124891455 DPAXAIVVTUWGFN-UHFFFAOYSA-N 266.348 3.525 30 20 CHED CCc1nnc(N[C@H](C)C[C@H](C)CC)c(C#N)c1CC 124996663 BEMYEBOTDCTUPV-VXGBXAGGSA-N 274.412 3.710 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H]([C@@H](C)N)C1 818565195 QPVCFYAVUJKKEY-HZPDHXFCSA-N 282.472 3.713 30 20 CHED C[C@H]1SCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 235656890 WPCNURDDWJJNSJ-LDYMZIIASA-N 286.322 3.883 30 20 CHED C[C@@H]1[C@@H](NCc2cc(C#N)ccc2F)CCC[C@H]1C 252221350 ZCSBKBGRLGZMHW-WQGACYEGSA-N 260.356 3.612 30 20 CHED COc1cc(C#N)ccc1COc1ccccc1Cl 260833316 QPVRAJMDTXGHEZ-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1 37176963 NFBBIWSHFBMFMH-NSHDSACASA-N 267.288 3.640 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]1C1CCC1 186202862 MUYQTCJFJUWOPT-KRWDZBQOSA-N 254.377 3.631 30 20 CHED CCc1nc(C#N)cc(Sc2ccc(Cl)cc2)n1 308279823 HGWYTPZYLVXUCB-UHFFFAOYSA-N 275.764 3.715 30 20 CHED CC#CCCNCc1cccc(OCc2ccccc2)c1 309731874 PJXQIWXFPQVLFF-UHFFFAOYSA-N 279.383 3.769 30 20 CHED C[C@@H](Cc1ccc(F)cc1)Nc1cccc(CC#N)c1 313406228 DKCPLIZPXQXATK-ZDUSSCGKSA-N 268.335 3.935 30 20 CHED CC(C)c1nc(CN2CCCC(C)(C)[C@H]2C#N)cs1 444732635 LQNMBWGUEZZFMZ-CYBMUJFWSA-N 277.437 3.781 30 20 CHED C=CCCSCCN[C@H](C)c1cccc(F)c1 594709879 GPHQVCFHMCQQJZ-GFCCVEGCSA-N 253.386 3.786 30 20 CHED C=CCCCCCCNC(=O)c1cc(O)ccc1Cl 381723841 LTLQBLNZIWQZCT-UHFFFAOYSA-N 281.783 3.912 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 384956741 MRICKTJBSYSZSZ-UHFFFAOYSA-N 270.376 3.727 30 20 CHED C=CC[C@H](CC)NC[C@@H](O)c1cccc(C(F)(F)F)c1 393845827 DSFAZFDJIODXBZ-UONOGXRCSA-N 287.325 3.683 30 20 CHED Cc1ccc(NN=Cc2ccc(O)cc2)cc1Cl 1084446318 CTFJHRZHVBXCDP-UHFFFAOYSA-N 260.724 3.800 30 20 CHED CCc1ccc(NC(=S)Nc2cccc(C#N)c2)cc1 7517807 XBSSPXPTRQMYMH-UHFFFAOYSA-N 281.384 3.930 30 20 CHED C=C(Br)CN[C@H](CC)c1ccccc1 51627974 SDKSSOGTYAKRFD-GFCCVEGCSA-N 254.171 3.636 30 20 CHED Cc1ccc(CNc2ccc(F)c(C#N)c2)cc1[N+](=O)[O-] 51635928 FVIJMWCQVILWKS-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C[C@H](CC(=O)N[C@@H](C#N)c1ccccc1F)c1ccccc1 108797896 YIBORNCZNPBUMN-DYVFJYSZSA-N 296.345 3.700 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc2ncccc2c1 119168367 AUUWNMXKGICJLJ-UHFFFAOYSA-N 281.403 3.997 30 20 CHED C=CCN(C(=O)CCOc1ccc(F)cc1)c1ccccc1 105923768 WDAZIHKECDXZFF-UHFFFAOYSA-N 299.345 3.814 30 20 CHED CCCCCCCCCc1nc(Cc2noc(C)n2)no1 109514953 MNMSERSWIFIPPG-UHFFFAOYSA-N 292.383 3.645 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](CC)c1ccc(OC)cc1 179776021 BNPGCGHTHBEONJ-INIZCTEOSA-N 275.392 3.613 30 20 CHED CCCCCC[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C 173371367 QIYSNIKRTMKNAD-UKRRQHHQSA-N 252.402 3.647 30 20 CHED CC(C)Oc1ccc([C@H](C)NCCCSCC#N)cc1 179534648 TXMUZGASXUMXOA-AWEZNQCLSA-N 292.448 3.771 30 20 CHED C=CCCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 68455091 JDEKASLIPQJYMO-GFCCVEGCSA-N 283.158 3.640 30 20 CHED CC#CCCCC(=O)N(CC(F)(F)F)[C@H](C)C(C)C 185704896 INHJRECBZBIEJL-GFCCVEGCSA-N 277.330 3.615 30 20 CHED Cc1cccc(C(=O)N[C@](C)(C#N)CCc2ccccc2)c1 110010875 FCKSOKAOLVOWFT-IBGZPJMESA-N 292.382 3.640 30 20 CHED CS[C@H]1CCC[C@@H](Nc2c(C#N)cccc2C#N)C1 302880197 ICZOHRXWAPENFQ-KGLIPLIRSA-N 271.389 3.516 30 20 CHED CN(C)c1ccc(CNc2ccc(C#N)cc2F)cc1F 301166876 VWDVYXXXXLIQJA-UHFFFAOYSA-N 287.313 3.515 30 20 CHED C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C)c1cccc(C#N)c1 412830697 VNGXUGQQQRRMRO-RRQGHBQHSA-N 298.430 3.993 30 20 CHED CCS[C@H]1CCCCN(c2ccc(C#N)cc2F)C1 301226699 GYTGJQGKOZDXKJ-ZDUSSCGKSA-N 278.396 3.809 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(SC)cc1 69353329 CYNYAEQUTVQVHD-QWHCGFSZSA-N 293.432 3.567 30 20 CHED Cc1cnccc1CCNc1c(Cl)cccc1C#N 301820831 GNOODTHURWDVGK-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(F)cc1Cl 281135606 UPGWMNJSEOUMBH-SNVBAGLBSA-N 255.720 3.564 30 20 CHED CO[C@H](CNc1cc(Cl)ccc1C#N)C(C)(C)C 301444025 XGHGHBQTJDOITB-CYBMUJFWSA-N 266.772 3.685 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1CC=CCC1 126365914 IWIWWXZLPKRGLL-ZDUSSCGKSA-N 261.390 3.619 30 20 CHED CN(CCCOCc1ccccc1)CCCC(C)(C)C#N 281351640 KRALINRORQPBGG-UHFFFAOYSA-N 288.435 3.855 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)c1ncccc1C#N 301235442 CVOIKJHMEADEFP-LBPRGKRZSA-N 277.327 3.897 30 20 CHED CC(C)[C@H](CC(=O)N(C)C1(C#N)CCC1)c1ccccc1 171287189 FRBPDELDWHYKIU-INIZCTEOSA-N 284.403 3.721 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 126756914 VZXNYIHCVOGLSX-HNNXBMFYSA-N 285.391 3.848 30 20 CHED COc1ccc(CCNc2ccccc2O[C@H](C)C#N)cc1 182560015 RTZLYOFFSQLEHA-CQSZACIVSA-N 296.370 3.641 30 20 CHED CSc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1 78473069 TUYUMTWRCAQFIU-UHFFFAOYSA-N 289.404 3.566 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)c2ccccc21 78437219 PFPDFVRCQCRPQO-LBPRGKRZSA-N 277.327 3.714 30 20 CHED C=CCN(C)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 187542858 NIBKJDYHHZOSFG-OAHLLOKOSA-N 286.419 3.714 30 20 CHED C=CCC[C@H](C(=O)Nc1nccs1)c1ccccc1 189385632 FKMCUAMXOQVQFQ-ZDUSSCGKSA-N 272.373 3.832 30 20 CHED CCCCS[C@@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 75267483 IGMRHGRRGLNJTG-OLZOCXBDSA-N 290.432 3.657 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cc(Cl)ccc1Cl 120674266 RLEDKZGQZZMWFA-CYBMUJFWSA-N 285.174 3.661 30 20 CHED COc1ccc([C@@H](Nc2ncc(C#N)cc2F)C(C)C)cc1 413027308 AIPAOYNQOIVPGH-INIZCTEOSA-N 299.349 3.910 30 20 CHED CN(CCOc1ccccc1C#N)[C@@H]1CCc2ccccc21 502616096 YIWFMSCDXMQOOG-GOSISDBHSA-N 292.382 3.556 30 20 CHED CC[C@H](N[C@H]1COCc2ccccc21)c1ccc(C#N)cc1 417342164 CGXQKHWOYHSFSK-OALUTQOASA-N 292.382 3.870 30 20 CHED CC[C@H](CC#N)OC(=O)c1cncc(-c2ccc(C)cc2)c1 188065960 NYRFWDZZUSXYPM-QGZVFWFLSA-N 294.354 3.906 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)C2(C#N)CCCCC2)c1 129491044 LYKJVBDOPZXQDR-HNNXBMFYSA-N 284.403 3.689 30 20 CHED N#CC1(CNC(=O)CCc2ccc3ccccc3c2)CCC1 416353003 GRRXSOIXWBCZFI-UHFFFAOYSA-N 292.382 3.582 30 20 CHED CC(C)C[C@H](NCC(C)(C)CC#N)c1ccccn1 414168274 QLPFZJDQNINXOY-HNNXBMFYSA-N 259.397 3.698 30 20 CHED C=CC[C@H](CC)NC(=O)CSc1ccccc1Cl 410129622 GBOSXWMKMLVJFO-NSHDSACASA-N 283.824 3.903 30 20 CHED N#CCSCCCN1CCC[C@H](c2ccccc2)CC1 74990137 PTTVTRIYIOZGCD-KRWDZBQOSA-N 288.460 3.903 30 20 CHED CCOc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1CO 76426839 JAYOADUGBYTPGO-ZDUSSCGKSA-N 296.370 3.622 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(F)cc2)c1OC 33410892 SMZKJTCSHIJSTJ-FLIBITNWSA-N 286.302 3.739 30 20 CHED CCCCCCCCCNC(=O)N[C@H]1CCCOCC1 181624800 YXEFDNITDULBJE-HNNXBMFYSA-N 284.444 3.605 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(Cl)o2)c1 501153940 FHMRJZLKZRHKFG-UHFFFAOYSA-N 277.707 3.750 30 20 CHED CC(C)CC(CC(C)C)NC(=O)C1(C#N)CCCC1 504640742 AATJYWLSYXVUGW-UHFFFAOYSA-N 264.413 3.647 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1ccc(CC)cc1 410124788 XQPLTXJOMGMFFD-XJKSGUPXSA-N 259.393 3.823 30 20 CHED C[C@H](CCC#N)N1CCC(c2ncccc2Cl)CC1 411634477 UWGZBVCSWOMHAD-GFCCVEGCSA-N 277.799 3.607 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCn1ccc2ccccc21 189873238 JNDWUUZYRPIIKY-SFHVURJKSA-N 284.403 3.750 30 20 CHED CSCCCSCC#Cc1ccc(F)cc1 413008781 PLWADNMERMIKJQ-UHFFFAOYSA-N 254.395 3.664 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 410834715 LHNCIAHUPOOKNA-GMTAPVOTSA-N 296.823 3.656 30 20 CHED CC[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCS1 187099962 KFSKUQATCQUTGN-AWEZNQCLSA-N 280.824 3.539 30 20 CHED Cc1ncc(COc2cc(Cl)cc(C#N)c2)s1 336706648 LLXBDIRPTNJHPD-UHFFFAOYSA-N 264.737 3.556 30 20 CHED C=C[C@@H](CC(=O)NCc1cc(C(C)C)no1)c1ccccc1 134797697 PKHONIYVROSPHR-AWEZNQCLSA-N 298.386 3.774 30 20 CHED N#CCC[C@H](NCc1ccc(C#N)cc1)c1ccccc1 130476320 GCQIFCWEEAXTCM-SFHVURJKSA-N 275.355 3.693 30 20 CHED CCc1ccsc1C(=O)[C@H](C#N)c1nc(C)cs1 49004230 DNRLCGJRIIUUNN-JTQLQIEISA-N 276.386 3.566 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC3(CCCCC3)O2)c(F)c1 228036889 KEUUAIBKBNRNLX-AWEZNQCLSA-N 288.366 3.991 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CCc2ccccc2)cc1 49893798 YJXSSHOOLHPZFB-SFHVURJKSA-N 292.382 3.563 30 20 CHED N#Cc1ccccc1CNC1(c2nccs2)CCCC1 81577846 JOEJFLRHNCANHY-UHFFFAOYSA-N 283.400 3.574 30 20 CHED COc1ccc2c(c1)C(C)(C)C[C@H]2NCC(C)(C)CC#N 414169446 RTXRHTNMLOUWNS-MRXNPFEDSA-N 286.419 3.947 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])c(O)c2)CCc2ccccc21 194659950 MEENLJVVTVXIMR-LCYFTJDESA-N 295.294 3.513 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCNc1c(F)cc(C#N)cc1F 500519981 CEUXFLNWIGSIAF-ABAIWWIYSA-N 294.345 3.844 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1c(F)cccc1Cl 81511328 PTRGNXDQVJHJQG-NSHDSACASA-N 296.773 3.924 30 20 CHED N#Cc1c(NC(=O)C=C2CCC2)sc2c1CCCCC2 87033401 CCPOGLATODHQGE-UHFFFAOYSA-N 286.400 3.937 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(CC2(C#N)CC2)C1 425547251 UVXXKEQGFPBQPA-HNNXBMFYSA-N 254.377 3.763 30 20 CHED O/C(=N/Cc1noc(C2CC2)n1)[C@@H]1C[C@@H]1C1CCCCC1 328989663 RXHGVJPRTFCBGM-CHWSQXEVSA-N 289.379 3.620 30 20 CHED CC(C)C(=O)Nc1cccc(NCc2ccc(C#N)s2)c1 135684316 QZNYTAPFCJEVDJ-UHFFFAOYSA-N 299.399 3.826 30 20 CHED N#Cc1ccccc1C[S@](=O)c1ccc(Cl)cc1 84257498 DVHPGCGGHBQSSO-GOSISDBHSA-N 275.760 3.519 30 20 CHED CC(C)c1cc(C(O)=Nc2cnc3c(c2)CCCC3)no1 329458654 ONDUKSMIXKORGH-UHFFFAOYSA-N 285.347 3.708 30 20 CHED C/C(=C/c1ccccc1OC(F)F)CNCC1(C#N)CC1 519674134 PLXCMENDCXKPRP-WQLSENKSSA-N 292.329 3.585 30 20 CHED C=CCCCCCSCc1nc([C@@H](C)OC)no1 192541001 MOZIVAICTSWESR-LLVKDONJSA-N 270.398 3.757 30 20 CHED C[C@@H](NC(=O)C#Cc1ccccc1)c1cc2ccccc2o1 80496842 PDCSHHLVFFFNRR-CQSZACIVSA-N 289.334 3.662 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2ccccc2[C@H]1C 131574305 AYTHEHGCYATMGY-CQSZACIVSA-N 269.388 3.901 30 20 CHED C=C(CNC(=O)N1CC[C@H](C)[C@@H]1CC)c1ccccc1 512672666 LTPOXJNTQVWNRR-BBRMVZONSA-N 272.392 3.530 30 20 CHED Cc1ccc(-n2cc(N[C@@H]3CCC[C@H](C#N)C3)cn2)c(C)c1 193336768 OKTIDFWJWXNFNL-JKSUJKDBSA-N 294.402 3.983 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OCC(F)F)cc1 426578698 IURIYHWGOPIMBG-AWEZNQCLSA-N 281.346 3.871 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1CCCc2sccc21 336489058 OGCXIDKNOCEHEZ-CQSZACIVSA-N 296.395 3.873 30 20 CHED C=CCCCCCSc1nnc(C2CC2)n1C 195418823 KNCHEMUEYFWGSZ-UHFFFAOYSA-N 251.399 3.531 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(N2C[C@@H]3CC[C@@H]2C3)cc1 191746229 MDPSVLIULBOUPE-RHSMWYFYSA-N 296.414 3.663 30 20 CHED COCc1ccccc1/C=C(\C)CN(C)CC(C)(C)C#N 519726253 UPKZPIRKMPFRQC-XNTDXEJSSA-N 286.419 3.718 30 20 CHED Cn1ccc2cccc(N[C@@H]3CCC[C@H](C#N)C3)c21 193347431 LVKRQQJJXFXFML-GXTWGEPZSA-N 253.349 3.673 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccncc1C(F)(F)F 193128048 BRPDABUVZCBJOI-JTQLQIEISA-N 286.297 3.575 30 20 CHED COc1cc(OCc2cccc3cccnc23)ccc1C#N 194489115 WVKSGLOLWOWWLH-UHFFFAOYSA-N 290.322 3.694 30 20 CHED C=C(C)COC(=O)Cc1csc(-c2cccc(C)c2)n1 96999595 WRUFEDRJKACCRO-UHFFFAOYSA-N 287.384 3.780 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CCCC[C@@H]2C)s1 425451487 MLMSLSWQQOZRCL-GXFFZTMASA-N 276.405 3.947 30 20 CHED CC[C@@H](c1ccc(F)cc1)N1CCC(F)(C#N)CC1 510921163 XOGVWHIULRZXQD-AWEZNQCLSA-N 264.319 3.604 30 20 CHED CCN(CC)c1ccc(CN(CCC#N)CC2CC2)cc1 93091579 RJGHDSQUPFOWBR-UHFFFAOYSA-N 285.435 3.658 30 20 CHED Cc1oc(C#N)cc1/C(O)=N/CCCCC(C)(C)C 331241504 XTNNCSBSDMUFEA-UHFFFAOYSA-N 262.353 3.981 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2ccncc2C#N)cc1 334239927 NZYPACJXBULVRV-UHFFFAOYSA-N 279.343 3.503 30 20 CHED Cc1cscc1CN[C@H](C)c1cccc(C#N)c1 94877290 RWNDLHQZKDPHNJ-GFCCVEGCSA-N 256.374 3.779 30 20 CHED Cc1c(C#N)c(-c2ccc3c(c2)OCO3)nc2ccccc12 515570789 NYBAFQBSGWRBLJ-UHFFFAOYSA-N 288.306 3.811 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc3c(c2)CCC3)CC12CCCC2 333076108 DNMLBOPRHQKYOC-GOSISDBHSA-N 280.371 3.588 30 20 CHED CCC[C@@H](C)C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 517804147 BRWGBPOTAMYSPP-CJNGLKHVSA-N 272.392 3.708 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CC2(C)CCCCC2)C1 511851533 IDQPODOWEXZQPW-WMLDXEAASA-N 276.424 3.936 30 20 CHED C=CCN(C)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 430203327 FCGVZGUASNJNIB-INIZCTEOSA-N 272.392 3.625 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2cccc(C)c2C1 432562982 OQMIVWILHKUZSU-UHFFFAOYSA-N 286.419 3.665 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(-c2ccco2)nc1C 341652641 PJIPIIFQXARLMX-CYBMUJFWSA-N 284.359 3.735 30 20 CHED N#Cc1ccc(CNCCc2c[nH]c3ccc(F)cc23)s1 344406159 BSHGGXSQOHTJHX-UHFFFAOYSA-N 299.374 3.572 30 20 CHED CC[C@H](C)NC(=O)[C@H](C)S[C@H](C)c1ccc(C#N)cc1 246399855 PFMXVGAOWNDBSO-XQQFMLRXSA-N 290.432 3.656 30 20 CHED C=CCCC(=O)N(Cc1cscn1)c1ccccc1 342474655 VZYICGMGLRALGB-UHFFFAOYSA-N 272.373 3.643 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1cc(F)ccc1F 249862269 GOPQSYPYGDCZPV-GHMZBOCLSA-N 252.308 3.507 30 20 CHED C=CCCN(C)C(=O)c1sc(C)nc1-c1ccccc1 341954825 UTRGUNMBVPNWJH-UHFFFAOYSA-N 286.400 3.767 30 20 CHED C[C@@H](CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 246828855 CHNGLAXDGCCOJW-RVKKMQEKSA-N 284.403 3.769 30 20 CHED N#C[C@H](C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1nc2ccccc2o1 248745882 DDUJFAXLKWWTEG-XDQVBPFNSA-N 294.354 3.830 30 20 CHED N#Cc1ccc(SCc2ccc([N+](=O)[O-])cc2)c(F)c1 524986861 OIUVAUBZLZUJOS-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C[C@H](CCC#N)CNc1cccc(OC(F)(F)F)c1 602484796 QVHHRYLNTVOUIN-SNVBAGLBSA-N 272.270 3.937 30 20 CHED N#Cc1csc(/C=C\C(=O)c2c[nH]c3ccccc23)c1 255130641 VCQKUFOJIGGHLG-WAYWQWQTSA-N 278.336 3.997 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)Cc2ccccc2C)CC1 528525311 YSRWFVXLDVLXKR-HNNXBMFYSA-N 271.404 3.598 30 20 CHED C=CCCN(C)Cc1cc(Cl)cc2cccnc12 342738104 TZEPEZXLAWPBEA-UHFFFAOYSA-N 260.768 3.896 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1ccc(OC(F)F)cc1 255892586 RVHIYVDREYAVHF-FPLPWBNLSA-N 293.269 3.789 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2cnn(C(C)C)c2)c1 255437212 NXQYEFJTNAKMAL-FPLPWBNLSA-N 268.360 3.977 30 20 CHED N#Cc1cc(F)ccc1Cn1ccc(-c2cccs2)n1 348056673 YOAWSWBVVDQQAM-UHFFFAOYSA-N 283.331 3.671 30 20 CHED CC(C)COc1ccc(CCN[C@@H]2CC[C@@H](C#N)C2)cc1 442774376 AHLWMNLFFWWAOJ-IAGOWNOFSA-N 286.419 3.546 30 20 CHED O=C1/C(=C/c2cc(F)c(F)cc2F)Cc2ccccc21 255583524 PONZGROFOJWSSF-IZZDOVSWSA-N 274.241 3.926 30 20 CHED CC1(C)Cc2cccc(/C=C\C(=O)c3cncc(F)c3)c2O1 255873221 SFFRMRNVLAZURH-SREVYHEPSA-N 297.329 3.830 30 20 CHED CC(=O)Nc1ccccc1N[C@@H](C)c1cccc(C#N)c1 600857196 WKIXDYOBATZWIW-LBPRGKRZSA-N 279.343 3.690 30 20 CHED C[C@H](CCC#N)CN1CCC(c2ccccc2)CC1 602437562 ZDKSORNGNWTHTM-OAHLLOKOSA-N 256.393 3.806 30 20 CHED C=CCCCC[C@H](C)NC[C@H]1CCCN(C(C)C)C1 449130230 GBMHKXKPDSUAAJ-DLBZAZTESA-N 266.473 3.831 30 20 CHED COc1ccc2c(c1)CCCN(c1ccc(C#N)cc1)C2 609132817 KKMRUMRECUYNOG-UHFFFAOYSA-N 278.355 3.520 30 20 CHED CC(C)n1cc([C@@H](C)Nc2ncc(C#N)cc2Cl)cn1 609585906 BWQVSHYYTJZKKC-SNVBAGLBSA-N 289.770 3.557 30 20 CHED CC[C@@H](F)CNc1ccccc1Oc1ncccc1C#N 442081652 BZNUFEPWQFIVAZ-CYBMUJFWSA-N 285.322 3.906 30 20 CHED C=CC1CCN(c2nccc3ccc(F)cc23)CC1 354330623 XQAVLXIFUDHNSY-UHFFFAOYSA-N 256.324 3.776 30 20 CHED C=CC[C@@H](C)NC(=O)CCCOc1ccc(Cl)c(C)c1 604880265 LSJSQKGBBMNTFF-CYBMUJFWSA-N 295.810 3.888 30 20 CHED Cc1oc(C(C)C)cc1C(=O)NCCc1cccc(C#N)c1 355416384 IEXIFCXDAHEOAN-UHFFFAOYSA-N 296.370 3.556 30 20 CHED Cc1ccccc1CC(C)(C)NC[C@@H](C)CCC#N 602562950 IRBZODCNQIUQOC-AWEZNQCLSA-N 258.409 3.846 30 20 CHED C=C(CC)CSCCOc1cccc([N+](=O)[O-])c1 539094827 RAPQSKYEUNTAPI-UHFFFAOYSA-N 267.350 3.673 30 20 CHED CC(C)c1cnc(SCCCC(C)(C)C#N)[nH]1 600584847 KONPSNDYOXFEHY-UHFFFAOYSA-N 251.399 3.955 30 20 CHED Cc1nc(NC(=O)C[C@@H](CC#N)c2ccccc2)sc1C 354600646 MFLNOJCNFJPLKS-CQSZACIVSA-N 299.399 3.786 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cscc1C 538358894 VSJGQIBWSSTVNA-LLVKDONJSA-N 252.383 3.923 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)ccc1-n1ccnc1 352527198 XRXPNGCFUIMROU-UHFFFAOYSA-N 297.402 3.513 30 20 CHED CCn1ccc(CN(C)c2nc(C(C)(C)C)ccc2C#N)c1 616383584 SJPSWULQKUOQJY-UHFFFAOYSA-N 296.418 3.709 30 20 CHED C[C@H]1CC(N[C@H]2CCc3cc(C#N)ccc32)C[C@H](C)C1 618801831 CKHCKPBWEIIVFL-VFVRVIDISA-N 268.404 3.960 30 20 CHED CC1(C)C[C@H]1CNc1c(C#N)cnc2c(F)cc(F)cc12 354085808 KVLWYWHJLSIWMS-JTQLQIEISA-N 287.313 3.843 30 20 CHED C[C@H](c1cccc(F)c1)N(C)Cc1ccc(C#N)cc1 532899634 ZFWIZEHNSFDDAA-CYBMUJFWSA-N 268.335 3.890 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)OCC 534424058 OYIKTRKDCUPHEJ-ZNMIVQPWSA-N 281.440 3.689 30 20 CHED C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)C1CC1 537979402 FIEGVWJPJQHEOJ-NVPAJSRCSA-N 284.403 3.636 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(OC)cc1 268168202 PKFOZVLQTYSDDV-CYBMUJFWSA-N 273.376 3.641 30 20 CHED CCC(CC)c1cc(C/N=C(\N)Nc2ccccc2)on1 267452746 RZEHLXWXWNSSJU-UHFFFAOYSA-N 286.379 3.505 30 20 CHED C=CCC1(NC(=O)CCCCSC)CCCCC1 456362196 GYNXXOBCSOVQFH-UHFFFAOYSA-N 269.454 3.915 30 20 CHED CCCc1cc(N2CC[C@](F)(C#N)C2)c2ccccc2n1 615527047 UCOGMJWDXDUBFW-KRWDZBQOSA-N 283.350 3.629 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Cl)c2ncccc12 618633713 PSHUPBDVBQEWBA-UHFFFAOYSA-N 287.750 3.767 30 20 CHED CC(C)CN(C(=O)N[C@@H](C)c1cccc(C#N)c1)C(C)C 610407166 RJPKENMECZSSBU-AWEZNQCLSA-N 287.407 3.695 30 20 CHED Cc1cc(N[C@@H]2CCc3cc(C#N)ccc32)ccc1[N+](=O)[O-] 618693205 BPFSBCXCQIWCEP-MRXNPFEDSA-N 293.326 3.874 30 20 CHED N#CCc1cccc(NC(=O)c2sccc2C2CC2)c1 456738841 VBPYYXMJKZLKDA-UHFFFAOYSA-N 282.368 3.944 30 20 CHED C[C@H](Cc1cccc(F)c1)N(C)Cc1cc(C#N)cs1 459768558 XMIVXPIWUWERTA-GFCCVEGCSA-N 288.391 3.822 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cccc(C2CCC2)c1 619598481 DBQQJDSJRWJTTN-INIZCTEOSA-N 270.376 3.622 30 20 CHED C=CC[C@H](CC)NC(=O)NCCSc1ccc(C)cc1 537500504 MPVOHVWLSLSZTO-AWEZNQCLSA-N 292.448 3.741 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc(Cl)cc1F 459229635 IKCAQTNVWKSKNQ-UHFFFAOYSA-N 283.734 3.540 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2cccc(F)c21 458815467 XQUNBWGTDCJBCX-UHFFFAOYSA-N 276.355 3.500 30 20 CHED C[C@@H]1[C@@H](CNCC(C)(C)CCC#N)CCC[C@H]1C 360772896 OQGSJTOMCGMVSY-QLFBSQMISA-N 250.430 3.978 30 20 CHED Cc1sc(NC(=O)[C@@H](C)c2ccco2)c(C#N)c1C 610168318 UWBPYIKBFBWJIA-VIFPVBQESA-N 274.345 3.572 30 20 CHED CC(C)CC1(CNC(=O)N(C)CC(C)(C)C#N)CCCC1 458535287 PPXUAJYSPSISPV-UHFFFAOYSA-N 293.455 3.784 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 452716911 JOITVQWRWRQPNR-GHMZBOCLSA-N 281.758 3.665 30 20 CHED COc1cc(C)ccc1[C@H](C)NCCc1cccc(C#N)c1 619611773 UZSKJLBVQNMWJM-HNNXBMFYSA-N 294.398 3.769 30 20 CHED C=CCC[C@H](NCc1ccnc(C)c1)c1ccco1 453300442 XFDPZOOJQALABP-HNNXBMFYSA-N 256.349 3.780 30 20 CHED C=CCOCCCC(=O)Nc1cc(SC)ccc1Cl 617361975 BCXQWHQBVFJHLH-UHFFFAOYSA-N 299.823 3.983 30 20 CHED C=CCC(CC=C)C(=O)NCC[C@H]1CCc2ccccc21 452322663 ZZSODHJHKVUAHS-MRXNPFEDSA-N 283.415 3.991 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H](C)C(C)(F)F 455384115 NXDNZUSYXJZEPH-NSHDSACASA-N 282.334 3.970 30 20 CHED Cc1ccc2c(CCN[C@@H]3CCC[C@@H](C#N)C3)c[nH]c2c1 274219095 PJBVTYUJQHMKFF-GDBMZVCRSA-N 281.403 3.691 30 20 CHED CC(C)(CC#N)CN[C@H](CCc1ccccc1)C(F)F 459660083 ASPACPAGXGHGKR-CQSZACIVSA-N 280.362 3.782 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(-c2nc(C)co2)c1 367593632 ICTYSOXWJSSSCE-MRXNPFEDSA-N 283.331 3.528 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3ccc(F)cc32)s1 279798040 NCPCZZCMRCAUKR-INIZCTEOSA-N 286.375 3.926 30 20 CHED COc1ccccc1[C@@H](NCCCC#N)C1CCCC1 273178051 DLCVLZKKUMEKIU-KRWDZBQOSA-N 272.392 3.820 30 20 CHED CN(Cc1ccc(Br)cc1)[C@H]1CC[C@@H](C#N)C1 278746284 WTNOYPLTEWAVBF-OCCSQVGLSA-N 293.208 3.573 30 20 CHED C[C@@]1(NC(=O)c2cccc(SCC#N)c2)CC=CCC1 458322297 VYCCWYXZZZGHQL-MRXNPFEDSA-N 286.400 3.531 30 20 CHED CC(C)(C)[C@H](NC(=O)NCCCC#N)c1ccc(F)cc1 273242001 WZPSQEGUTHQBEN-CQSZACIVSA-N 291.370 3.516 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(NC)cc1 625929049 GNFXSBVRZHPBHC-LBPRGKRZSA-N 261.369 3.595 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)C2CCCC2)cc1C#N 452659211 YQEJGKLAUBBLTF-UHFFFAOYSA-N 286.375 3.864 30 20 CHED CCCCN(C(=O)CC(C)(C)C#N)[C@@H]1CCCC[C@H]1OC 456190495 KRPDMDZBVJXZKG-HUUCEWRRSA-N 294.439 3.513 30 20 CHED C=C(C)[C@@H](NC(=O)[C@@H]1CCCS1)c1ccc(F)c(F)c1 274594468 BRNMJOYCDOBWRG-UONOGXRCSA-N 297.370 3.594 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCCC3)cc2)C1 278613420 FTLSWVMYBWTMFA-ZBFHGGJFSA-N 269.392 3.781 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(C)cc(OC)c(C)c1C 455417886 IWKSNYVYAZDVOV-UHFFFAOYSA-N 290.407 3.954 30 20 CHED Cc1cccc(NC(=O)C[C@H](C)Nc2cccc(C#N)c2)c1 543056906 DTIJKOZTIUNQMQ-AWEZNQCLSA-N 293.370 3.696 30 20 CHED CC[C@H](C(=O)NCCCC#N)c1cccc(C(F)(F)F)c1 273074868 WGFPCFUDKUYWTL-ZDUSSCGKSA-N 298.308 3.619 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(C(C)(C)C)c1O 450744726 AVAUOYKEZTVJRJ-UHFFFAOYSA-N 261.365 3.840 30 20 CHED CCC[C@@H](CC)NC(=O)c1ccc(C(C)(C)C#N)cc1 279612641 FWXGXNYDRZFVIS-OAHLLOKOSA-N 272.392 3.796 30 20 CHED Cc1ccc2oc(-c3noc(C(C)(C)C#N)n3)cc2c1 277847084 BBDSOQRSKVFKBC-UHFFFAOYSA-N 267.288 3.592 30 20 CHED C=C(CC)CNC(=O)c1cnn(C(C)C)c1-c1ccccc1 456814847 VZLJABKMSLNNCO-UHFFFAOYSA-N 297.402 3.827 30 20 CHED CN(C(=O)CC(C)(C)C#N)c1ccc2ccccc2c1 278388177 IPOYNOPQHCOXOJ-UHFFFAOYSA-N 266.344 3.742 30 20 CHED N#CCCCC(=O)Nc1cnccc1-c1cccc(F)c1 360403223 ZCMJVUQTKXTNPV-UHFFFAOYSA-N 283.306 3.520 30 20 CHED C=C(C)Cn1c(N2CC[C@H](C)[C@@H](C)C2)nnc1C(C)(C)C 549260363 DEBYYQSBDYVWNI-KBPBESRZSA-N 290.455 3.634 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1C)C1CC1 271348278 IRPDTHVGOCYMNJ-UHFFFAOYSA-N 264.756 3.831 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1 377829203 QLUQPEOZMVANKN-PXAZEXFGSA-N 294.329 3.531 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2nc(C)c(C)nc2c1 620862990 AMJXOOMPNZDTOO-UHFFFAOYSA-N 297.402 3.721 30 20 CHED Cc1ccc(C)c(Cc2noc(-c3cccc(C#N)c3)n2)c1 546321160 SKBVVHCONOFBRJ-UHFFFAOYSA-N 289.338 3.816 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1occc1C(C)C 284550541 FDEUFUJQDQAHNW-UHFFFAOYSA-N 298.342 3.926 30 20 CHED CO[C@@]1(C)CCCN(CC#Cc2cccc(Cl)c2)CC1 280378689 KXGOPECVXBUDDE-KRWDZBQOSA-N 291.822 3.583 30 20 CHED C=CCCC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 282450069 VLJWCNSJYGRMKJ-UHFFFAOYSA-N 291.244 3.672 30 20 CHED CC[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 280366474 SIZVTOQFNYBUEH-CQSZACIVSA-N 284.403 3.750 30 20 CHED Cl/C=C/CON=Cc1sccc1Br 388248039 UOLYRERPJRAXHM-NJGREUEQSA-N 280.574 3.614 30 20 CHED C=CCCc1noc(-c2oc3ccc(OC)cc3c2C)n1 556450488 SKROQWQYQHPAIN-UHFFFAOYSA-N 284.315 3.918 30 20 CHED C=C[C@H](CC(=O)N[C@H](c1ncc[nH]1)C(C)C)c1ccccc1 283034092 OWCDJIQOWOIELJ-PBHICJAKSA-N 297.402 3.583 30 20 CHED N#CCOc1ccc(NC2CC3(CCCC3)C2)cc1 1333615495 HFKQDIKNUPCVTJ-UHFFFAOYSA-N 256.349 3.724 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1N1CCCC1 281407723 QAKWKQWEQWTVOY-CQSZACIVSA-N 287.407 3.763 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 286276095 WTXOWLFICJMQIR-RCCFBDPRSA-N 281.399 3.585 30 20 CHED C=C(C)CS[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 479143260 NSBIIDBOMBMDQI-CYBMUJFWSA-N 299.798 3.894 30 20 CHED CC#CCN(C)Cc1nc(C2CCCCC2)cs1 559461272 OFNNJUPTWFRNIJ-UHFFFAOYSA-N 262.422 3.646 30 20 CHED Cc1c(Cl)ccc2c1N(C(=O)CCCC#N)CCC2 291540829 RPICNRUWCGNXKM-UHFFFAOYSA-N 276.767 3.622 30 20 CHED C=CCCCCCCCNC(=O)Nc1nccs1 809869267 NCGXVGRHWBVJBW-UHFFFAOYSA-N 267.398 3.791 30 20 CHED CC#CC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 801195377 WBGLWWULCLYWAN-NSHDSACASA-N 271.747 3.694 30 20 CHED CC(C)CC1(C)CCN(C(=O)c2cc(C#N)cs2)CC1 567318065 QKXKXHGSQAQSOE-UHFFFAOYSA-N 290.432 3.908 30 20 CHED N#Cc1nccc(N[C@@H](c2cccc(F)c2)C2CCCC2)n1 565228744 LFFXSYXBQAHUMH-QGZVFWFLSA-N 296.349 3.831 30 20 CHED C=CCCCCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 801517191 BAEKTCLPEMDLOE-UHFFFAOYSA-N 280.343 3.912 30 20 CHED C#CCCCC(=O)Nc1ncc(-c2cccc(C)c2)s1 805359389 FDQHTWRTICLOLK-UHFFFAOYSA-N 284.384 3.861 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1ccc(Cl)s1 801484187 WUXIKSCAPMNKTF-UHFFFAOYSA-N 285.796 3.817 30 20 CHED C[C@@H](C#N)CN(C)c1nc(-c2ccccc2F)cs1 292922272 ZKYGIMVBCWCVFT-JTQLQIEISA-N 275.352 3.545 30 20 CHED N#CCCCCN[C@@H](Cc1ccccc1Cl)C1CC1 293754728 OKRUBICRZLHXMD-INIZCTEOSA-N 276.811 3.945 30 20 CHED CC(C)[C@@H](C#N)OC(=O)[C@H](C)Cc1cncc2ccccc12 805873604 MPRACPPUFBPNGJ-CXAGYDPISA-N 296.370 3.505 30 20 CHED C#Cc1cccc(NC(=O)NC(C2CCC2)C2CCC2)c1 806182925 HKHOXQSNIOQVHN-UHFFFAOYSA-N 282.387 3.758 30 20 CHED COc1ccc(O)c(/C=N\CC2CCC(F)(F)CC2)c1 800720206 APYBZGJOKPCVPF-ZDLGFXPLSA-N 283.318 3.645 30 20 CHED CC[C@@](C)(C#N)C(=O)N(Cc1cccc(C)c1)CC(C)C 568496694 UMXBKHAKNUXMRU-SFHVURJKSA-N 286.419 3.920 30 20 CHED N#CC1(CNc2ccnc3cc(Cl)ccc23)CC1 569542670 MHEORRWJYLIRAI-UHFFFAOYSA-N 257.724 3.604 30 20 CHED C#Cc1ccc(C(=O)Nc2cccc(C3CCC3)c2)nc1 812558183 BVFLUGZHTYEFRU-UHFFFAOYSA-N 276.339 3.583 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@@H](C)CC1)c1ccccc1 488363585 GAGXGGRJLAZCMH-WBVHZDCISA-N 271.404 3.995 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)c(F)c1 484022718 XURVAUOWGQHIMV-ZDUSSCGKSA-N 288.288 3.764 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccc2oc3ccccc3c2c1 566522778 ZIZGQXTWSPIUSR-LLVKDONJSA-N 293.326 3.867 30 20 CHED Cc1cc(CN2CC[C@@H](c3ccccc3)C2)ccc1C#N 486659219 RTSWOIWNWBWFAG-LJQANCHMSA-N 276.383 3.856 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H](c3ccccc3F)C2)cn1 481088738 JQXIXPAUYMSSKR-CHWSQXEVSA-N 281.334 3.841 30 20 CHED CCC1(c2noc(-c3ncc(C#N)cc3C)n2)CCCC1 574828068 HBPDTRSGEHJAAV-UHFFFAOYSA-N 282.347 3.534 30 20 CHED C#CCOc1ccccc1-c1noc(C(C)(C)CC=C)n1 813890231 WSGLVWIIZIDRFU-UHFFFAOYSA-N 282.343 3.602 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(C(C)C)nc1C 815233787 UHIKTQXSCSJMQY-UHFFFAOYSA-N 273.376 3.606 30 20 CHED COCCN(C)N=C1CCCC[C@@H]1C1CCCCC1 814926528 VEAYMOIVTZEFOF-OAHLLOKOSA-N 266.429 3.691 30 20 CHED CCC[C@H](OC(=O)c1cccc(C#N)n1)c1ccccc1 810559736 ZYNHMFGBWVKVTD-INIZCTEOSA-N 280.327 3.651 30 20 CHED C[C@@H]1C[C@H](C(=O)NCCc2cccc(C#N)c2)CC(C)(C)C1 579862222 OOIZJBOTYUXHTP-PBHICJAKSA-N 298.430 3.679 30 20 CHED C[C@@H]1CCN(Cc2ccc(Cl)cc2C#N)C[C@@H]1C 480874673 ZIVRRYAARWTKFL-NEPJUHHUSA-N 262.784 3.690 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc(-c2ccccc2)cs1 814781105 WTEJXXKFMNZQIX-UHFFFAOYSA-N 294.326 3.960 30 20 CHED N#CCc1cccc(NC(=O)C2(C(F)F)CCCC2)c1 578436095 XDTLMZSFAMTNFV-UHFFFAOYSA-N 278.302 3.517 30 20 CHED C=C(C)CN1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 483466838 BNPXZLJZFUBEBG-MOPGFXCFSA-N 284.447 3.549 30 20 CHED C=CCCC(=O)OCc1cc(Cl)cc2cccnc12 726654488 CNCBIDAMACDOME-UHFFFAOYSA-N 275.735 3.898 30 20 CHED C=C[C@H](Cc1nc(Cc2cncs2)no1)c1ccccc1 482773217 QBBYKAPIXFIFKG-GFCCVEGCSA-N 297.383 3.629 30 20 CHED CCCc1sc(C(=O)N[C@@]2(C#N)CC2(C)C)cc1CC 484912026 REQHFLLWSFKGKT-MRXNPFEDSA-N 290.432 3.685 30 20 CHED C=CCCCCNc1ccccc1C(=O)N(C)C(C)C 656123581 AVDPIKKJWZGXAV-UHFFFAOYSA-N 274.408 3.935 30 20 CHED C=CCOCC(=O)Nc1ccc(Nc2ccccc2)cc1 729310581 PVZWYGUMIXPMNH-UHFFFAOYSA-N 282.343 3.571 30 20 CHED N#Cc1ccc(/C=C2/CCc3sccc3C2=O)cc1 726893321 PVKRNTFBFPIADV-LCYFTJDESA-N 265.337 3.832 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572844207 MRWACEJORHRACO-DZJNRPSUSA-N 296.414 3.747 30 20 CHED O=C(/C=C\c1cc(Cl)cs1)c1cncc(F)c1 588601203 NNZQLKOUNQZCGE-UPHRSURJSA-N 267.712 3.832 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H](C)C(=O)c1cccc(F)c1 821452408 ZGVGSRIPASXQRD-NSHDSACASA-N 278.323 3.542 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sc(C2CCCCC2)nc1C 491745324 OTGYWUBXUNDKBO-LLVKDONJSA-N 290.432 3.593 30 20 CHED N#CCCCOc1cccc(CNCC2CC(F)(F)C2)c1 491583492 KDDTYQBRFOYOQQ-UHFFFAOYSA-N 294.345 3.504 30 20 CHED N#CC1(CCCCONC(=N)CCC(F)(F)F)CCC1 902774062 SQAIUMFHXRGNDT-UHFFFAOYSA-N 291.317 3.692 30 20 CHED CC(=NNc1cc(Cl)ccc1C)c1cnc(C)nc1C 901318457 UPWQPHOEZZFHND-UHFFFAOYSA-N 288.782 3.891 30 20 CHED C=CCC1(NC(=O)Nc2cccc(F)c2F)CCCC1 665886136 YJJFTUMWFOJBEJ-UHFFFAOYSA-N 280.318 3.975 30 20 CHED Cc1c(NN=C2CCc3cc(F)ccc32)cccc1[N+](=O)[O-] 734299854 XFLRNGFBLQEZPF-UHFFFAOYSA-N 299.305 3.805 30 20 CHED N#CCc1ccc(C(=O)OCCCCC2(C#N)CCC2)cc1 909102431 CFZBHSJPPCMLKG-UHFFFAOYSA-N 296.370 3.774 30 20 CHED C=CCCOCC(=O)N1CCCc2cc(C)cc(Cl)c21 839448763 SKBNJBGRMBLWNM-UHFFFAOYSA-N 293.794 3.520 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1cn(C(C)C)nn1 901527115 VVMUYMWYIUHAET-MDZDMXLPSA-N 299.374 3.542 30 20 CHED C=CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730615323 WROCODAHCNAJCY-WDEREUQCSA-N 271.143 3.826 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(CN(C)C)c1 664470745 GQJNPOFLHSSHKI-UHFFFAOYSA-N 289.423 3.615 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(O)c(F)c1 735615927 ZMEULIKUSMHSSS-UHFFFAOYSA-N 280.249 3.646 30 20 CHED CCOc1cc(C#N)ccc1OCc1cc(C)cc(C)n1 901405469 TWIDLQRZORUUQB-UHFFFAOYSA-N 282.343 3.548 30 20 CHED CC(=NNc1ccccn1)c1ccc(F)cc1Cl 730544799 ZXIYDLAHCNEBKY-UHFFFAOYSA-N 263.703 3.710 30 20 CHED N#CCCCOc1cccc(/C=C/C(=O)c2cncs2)c1 735792702 IZVKWBJKVAIJGC-VOTSOKGWSA-N 298.367 3.722 30 20 CHED C=CCOc1ccccc1CNC(=O)C=C(C1CC1)C1CC1 732019070 GHAUXLIFPZBYCV-UHFFFAOYSA-N 297.398 3.614 30 20 CHED CCOc1ccc(NC[C@@H](C#N)CCC#N)cc1Cl 732916950 BIUCODUHPNBPJL-LLVKDONJSA-N 277.755 3.594 30 20 CHED C[C@]1(C#N)CCCN(C/C=C/c2ccc(F)c(F)c2)C1 589173321 XBMOSHLBYBPFLN-WPTTZPOMSA-N 276.330 3.604 30 20 CHED C=C(CNCc1ccc(C(C)(C)O)cc1)c1ccccc1 830200492 LNDRADUZYOBVDM-UHFFFAOYSA-N 281.399 3.717 30 20 CHED C=C(Cl)CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 736240915 UNEMOFUZRZXVAA-JKSUJKDBSA-N 285.774 3.812 30 20 CHED CC(=NNc1ccc(C)cc1Cl)[C@H]1CCCO1 835012101 QRNAYUGSCDINAM-CYBMUJFWSA-N 252.745 3.615 30 20 CHED COCC(CC(C)C)=NNc1ccc2ccccc2n1 730721216 BRTOFNFIUNTBRS-UHFFFAOYSA-N 271.364 3.695 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)SCCCC 598522330 OCINBSQUTMBZBW-GFCCVEGCSA-N 257.443 3.769 30 20 CHED C[C@@H]1CC(=NNCC(F)F)C[C@H](c2ccccc2)C1 749859502 QTVKVIWHUCHFDX-WCQYABFASA-N 266.335 3.801 30 20 CHED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@H]1C[C@H]1C 591241400 CQGOIHWRFJXNEK-PWBULWKKSA-N 254.377 3.570 30 20 CHED N#CCN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1CCCC1 597277149 ZVZBKGXKSWONFI-WKILWMFISA-N 288.435 3.888 30 20 CHED S=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)Nc1ccccc1 915923472 DYIQZKMWVUJRIE-NGFQHRJXSA-N 299.443 3.785 30 20 CHED CC(C)(C)OC(=O)CCCCN1CCC(CCC#N)CC1 592135177 QQSKTDMUOXMEPZ-UHFFFAOYSA-N 294.439 3.514 30 20 CHED N#C[C@H]1CC[C@H](N2CCC3(CCc4ccccc4C3)CC2)C1 593038022 VMOFLSRAUPTDHE-LPHOPBHVSA-N 294.442 3.950 30 20 CHED CCCCCCCCN1CCCC[C@H]1CN1CCCC1=O 740877200 GKJBFBFQSMDNKI-KRWDZBQOSA-N 294.483 3.824 30 20 CHED C[C@@H](CNCCc1ccc(C#N)cc1)c1ccc(F)cc1 594954177 DLYXGYIQZSIIHZ-AWEZNQCLSA-N 282.362 3.633 30 20 CHED Cc1cc(N(C)C)ccc1Nc1ccc(C#N)cc1[N+](=O)[O-] 917070655 FCJIIBZBCCNQDY-UHFFFAOYSA-N 296.330 3.585 30 20 CHED CCc1ccc(C=NNc2ccc(Cl)nc2)cc1 743450427 PSUBUYRIDKAUJO-UHFFFAOYSA-N 259.740 3.743 30 20 CHED C#C[C@H](OC(=O)CO[C@H](C)CC)c1ccc(Cl)cc1F 842353881 RJZOUWYBHANESI-YGRLFVJLSA-N 298.741 3.512 30 20 CHED Cc1cncc(CCS[C@@H](C)c2ccc(C#N)cc2)n1 593188261 AJDVGZFIVAWEQZ-ZDUSSCGKSA-N 283.400 3.694 30 20 CHED N#Cc1cc(F)ccc1NC(=O)CC1(C#N)CCCCC1 598820481 WEBKJXDLCDPUIG-UHFFFAOYSA-N 285.322 3.500 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@H]1C1CCC1 593450231 JDCLQLDGICNWOL-JKSUJKDBSA-N 276.424 3.601 30 20 CHED Cc1ccc2c(c1)[C@@H](NCCc1ccc(C#N)cc1)CC2 595055509 GDRHLXBFENVQMX-IBGZPJMESA-N 276.383 3.686 30 20 CHED CC(Cc1ccccc1C)=NN=c1cc[nH]c2ccccc12 743439741 KFVYKEBCWGSUPP-UHFFFAOYSA-N 289.382 3.996 30 20 CHED CCN(C(=O)/C=C(/C)C1CC1)[C@H](C)c1ccc(C#N)cc1 917647020 RCEBZHSQORJOKK-YBEMTRGBSA-N 282.387 3.824 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)[C@H](N)c2ccccc2)n1 843235216 LVWMPOGUIJEODY-JSGCOSHPSA-N 285.391 3.727 30 20 CHED N#CCCCOc1cccc(NCc2cc(C3CC3)no2)c1 594701493 QODZDCIQIIQIEU-UHFFFAOYSA-N 297.358 3.847 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1c(C)nc([C@H](C)CC)nc1C 847681627 PWLQOHUASHZBOF-RISCZKNCSA-N 290.407 3.657 30 20 CHED CC[C@@H](CNC(=O)CCCCCC#N)CC(F)(F)F 591095833 BYCUQSZIJWDVCU-LLVKDONJSA-N 278.318 3.555 30 20 CHED C=CCCC(=NN=c1cc[nH]c2ccccc12)C1CC1 747751141 IFHWYLHUDRZKFF-UHFFFAOYSA-N 265.360 3.801 30 20 CHED C=CCN(C(=S)Nc1cc(C)cc(C)c1)[C@H](C)COC 849277508 ZUVUWPLBUXUBPJ-CQSZACIVSA-N 292.448 3.523 30 20 CHED COc1ccc(CNC[C@H](C)c2ccc(F)cc2)cc1C#N 742370049 DGYQKAUATBYEOE-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCc2c(F)cc(F)cc21 684766113 FZDKCDHFJOIBEF-NVGVWMPQSA-N 293.357 3.523 30 20 CHED C=CCN(CC(=O)N[C@@H](CCC)c1ccccc1)C(C)C 917068787 BTURSPQMLMYWNS-KRWDZBQOSA-N 288.435 3.540 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC2CC3(CCC3)C2)cc1 593882517 PXPSZEKGKCLLAX-UHFFFAOYSA-N 282.387 3.550 30 20 CHED N#C[C@H]1CC[C@@H](N2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 590166114 PWUQHWWSYCTKBL-WCQYABFASA-N 299.805 3.872 30 20 CHED C[C@H](C(=O)N1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 593591860 BBUYONZLHYLUAG-LBPRGKRZSA-N 290.794 3.596 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(SC)c(Cl)c1 747576584 RTLBAWTXQLPKSQ-UHFFFAOYSA-N 291.203 3.936 30 20 CHED CS[C@@H]1CC[C@@H](/N=C/c2cc3ccccc3nc2O)C1 743043037 PRMBVOYSZZHMFP-DPOBWDHUSA-N 286.400 3.643 30 20 CHED CC(C)[C@@H](CC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597914664 WXKVNFNTPYCBBW-SJLPKXTDSA-N 298.430 3.969 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)c1ccccc1F 843265462 NNHFDGDUJUXZCP-FPLPWBNLSA-N 272.323 3.574 30 20 CHED C#CCN(CC)C(=O)Nc1ccc2c(ccn2CCC)c1 749227027 GGCYRAGRSOCQPY-UHFFFAOYSA-N 283.375 3.538 30 20 CHED CC(Cc1cccs1)=NNc1cc(Cl)nc(C)n1 741766785 WMEGFZQJJJYDPD-UHFFFAOYSA-N 280.784 3.530 30 20 CHED CC/C(=C/C(=O)N(CC)C[C@H](C)C#N)c1ccc(C)cc1 741671670 NNOMXXBYDSHHEC-DFSFMLJYSA-N 284.403 3.797 30 20 CHED C(=NOCc1cccnc1)c1ccc(C2CC2)cc1 841634241 WNXMKPOWTFWHCP-UHFFFAOYSA-N 252.317 3.510 30 20 CHED C=C(C)CCc1noc(-c2ccc3c(c2)CCCC(=O)N3)n1 685385078 HBUZHSAYVFJFIU-UHFFFAOYSA-N 297.358 3.520 30 20 CHED CCOc1cncc(/C=C\C(=O)c2ccc(CC)o2)c1 857202770 TUDDZFLLTRJUQF-ALCCZGGFSA-N 271.316 3.532 30 20 CHED CCOc1cccc(/C=N\CCCc2ccccc2)c1O 920943227 SUGKQKSZVCQLHS-RGEXLXHISA-N 283.371 3.843 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)c1ccccc1F)c1ccccc1 757601022 WBUDPBHHJIAMLJ-KBXCAEBGSA-N 295.357 3.810 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(C(C)C)c2)n(C)n1 853007456 AIGOTVVGRDVUNV-CMDGGOBGSA-N 268.360 3.748 30 20 CHED C#CCCOC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 750688952 KVIFROFWSDOGQS-CQSZACIVSA-N 264.752 3.646 30 20 CHED C(=NOCc1ccc(CN2CCCCC2)cc1)C1CC1 853735969 GWLYCEDSPCNNSC-UHFFFAOYSA-N 272.392 3.585 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](Cn1ccnc1)c1ccccc1 926864766 OMRMNTPFKDAOLF-RDJZCZTQSA-N 296.418 3.542 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(F)cc1)C2=O 759665941 SGTSHWOBJFWKMV-XFXZXTDPSA-N 268.287 3.657 30 20 CHED Cc1cc(C#N)cnc1C(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1 857066094 FNMCITLHKNPALX-BXUZGUMPSA-N 286.375 3.633 30 20 CHED CC1CCC(COC(=O)Cc2ccccc2CC#N)CC1 754877513 DZSCPNMIUTYQNG-UHFFFAOYSA-N 285.387 3.665 30 20 CHED CC(CC(C)(C)C#N)=NN[C@@H]1CCc2c(F)cccc21 853356475 UUVUGVPJKBQLQI-OAHLLOKOSA-N 273.355 3.718 30 20 CHED C=CC[C@@H](OC(=O)Cn1cc(C2CC2)cn1)c1ccccc1 850966538 YOMGOJMSYBRPNK-QGZVFWFLSA-N 296.370 3.621 30 20 CHED C#CC[C@H](NC(=O)N1C[C@H](C)C[C@@H]1CC)c1ccccc1 757063201 XRBIGAGNSJQGRW-PVAVHDDUSA-N 284.403 3.581 30 20 CHED C=CCOc1cccc(NC(=O)NC23CCC(CC2)C3)c1 752540276 UETYDWNADUMMQH-UHFFFAOYSA-N 286.375 3.706 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CC1(C)CC1 757856636 HSXIUXISJQAZLP-UHFFFAOYSA-N 260.333 3.519 30 20 CHED CC(C)(C#N)CCCCN1CCC(c2ncco2)CC1 931443759 CMXUFFJLUGJHIL-UHFFFAOYSA-N 275.396 3.574 30 20 CHED C=C(C)C[C@H](NCc1cc(Cl)ccc1Cl)C(=O)O 864530076 RRHCUUIXFJNOES-LBPRGKRZSA-N 288.174 3.502 30 20 CHED CC1(C)C[C@H](/N=C\c2ccc(O)c(O)c2O)c2ccccc21 769775388 WKGJAJPSJGKPQG-VAODSVERSA-N 297.354 3.645 30 20 CHED CCC(CC)NN=C(C)c1nc2c(s1)CCCC2 761266991 MFDXMCKGDBKHHA-UHFFFAOYSA-N 265.426 3.524 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(Cl)c2occc12 931574374 KUBZINSPZSBNKA-JTQLQIEISA-N 290.750 3.754 30 20 CHED Cc1cc(OCc2ncc(Cl)nc2Cl)ccc1C#N 766069191 VCGDVRNGUALHFR-UHFFFAOYSA-N 294.141 3.543 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)CCCC(F)(F)F 935640028 PVVKAHYLBKRYMO-GHMZBOCLSA-N 265.319 3.826 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNc1nc(C)cc(C)n1 769566765 JLNGWFOKHWPHHC-ZWNOBZJWSA-N 260.385 3.708 30 20 CHED Cc1cccc(NN=C2CC(C)(c3ccccc3)C2)n1 863160155 SNNVCXMZEVRYMM-UHFFFAOYSA-N 265.360 3.910 30 20 CHED C#CCCCn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 766288363 GUFVWNOYRDIFBL-UHFFFAOYSA-N 294.185 3.974 30 20 CHED Cc1cc(C=NNCc2ccc(Cl)cc2)c(C)o1 767900099 DSIIDTHKODVZQT-UHFFFAOYSA-N 262.740 3.674 30 20 CHED C#CCCCN[C@H](C)c1ccc(OCC(=C)Cl)cc1 766232831 HXBOHFHUNSXDIZ-CQSZACIVSA-N 277.795 3.882 30 20 CHED C#CCCCCCC(=O)Nc1cnn(C2CCCC2)c1C 768030060 WSLBZTPTWYJINP-UHFFFAOYSA-N 287.407 3.829 30 20 CHED Fc1ccccc1CCNN=Cc1ccc(Cl)cc1 764724196 TXPXCENREXMRCD-UHFFFAOYSA-N 276.742 3.645 30 20 CHED C=CCN(C(=O)c1cc(-c2ccc(F)cc2)on1)C(C)C 762193667 YUFXYDUNSJFJCC-UHFFFAOYSA-N 288.322 3.517 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cc(O)ccc1F 872071822 YDSKYJODVFFCJD-NSHDSACASA-N 264.344 3.512 30 20 CHED C#CCCCCC(=O)OCc1cc(-c2ccccc2)no1 773625639 SAUHXTDSQMXVJO-UHFFFAOYSA-N 283.327 3.578 30 20 CHED O=C1/C(=C/c2cccc(F)c2)CCc2ccc([N+](=O)[O-])cc21 773149385 KCXIIQNKORSBBP-MDWZMJQESA-N 297.285 3.946 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 776168253 ANXOGLNCCBSFOD-HNAYVOBHSA-N 274.367 3.973 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Br)cc1OC 876311052 GWYWQOWKYSTKMX-UHFFFAOYSA-N 298.180 3.608 30 20 CHED C=C(C)CNC(=O)/C=C\c1ccccc1O[C@H](C)CC 777835296 VFOJXTDOIFBUBF-IWMPZKFUSA-N 273.376 3.569 30 20 CHED C#CCCCCC(=O)Nc1nc2cc(C)cc(C)c2o1 776323757 RMKVIZHGZUIIHL-UHFFFAOYSA-N 270.332 3.577 30 20 CHED C#CCCCCCC(=O)N[C@H](CCC#N)c1ccccc1 779990279 DTDAXGVRKJOWIB-QGZVFWFLSA-N 282.387 3.731 30 20 CHED CC(C)(C)c1ncc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)s1 774593264 LZSXVFDJDHVBHL-GMXVVIOVSA-N 277.437 3.553 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1cccc(F)c1F 779811631 HOGHJSIKPTYMMH-UHFFFAOYSA-N 286.285 3.677 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1ccnc(Cl)c1 779459643 FLMOXKRUFDELSE-PLNGDYQASA-N 261.683 3.770 30 20 CHED CS[C@@H](C)CCC(=O)[C@@H](C#N)c1nc2ccccc2o1 773760707 KGHHZGOTSYRAKS-WDEREUQCSA-N 288.372 3.536 30 20 CHED C#CCCCCCC(=O)Nc1cccc2[nH]ccc12 779897691 DFINMGHJCZYXGR-UHFFFAOYSA-N 254.333 3.690 30 20 CHED C=C1CCC(C(=O)NC2CCN(c3ccccc3)CC2)CC1 888857682 DTSXWOLCOJIQIV-UHFFFAOYSA-N 298.430 3.518 30 20 CHED C#CCN(CC)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C 880973451 XKRWNXJXYDBING-UHFFFAOYSA-N 298.308 3.809 30 20 CHED Cc1ccc(C(=O)OCc2ccc3occc3c2)cc1C#N 1128721011 ZILXDKRGUPXYCL-UHFFFAOYSA-N 291.306 3.970 30 20 CHED C#CCCCCCC(=O)N1CC=C(c2ccc(O)cc2)CC1 779758174 JUSQJCRMPDOBOO-UHFFFAOYSA-N 297.398 3.592 30 20 CHED C=CCC1(NCC[C@@H](O)c2ccccc2)CCCC1 700781790 WFMIXHHAYKGPHG-MRXNPFEDSA-N 259.393 3.589 30 20 CHED COC(=O)c1ccccc1NN=Cc1c(C)cccc1C 776189421 IYFITZXDJMCDFF-UHFFFAOYSA-N 282.343 3.536 30 20 CHED Cc1csc([C@@H](C)CNc2cc(C#N)cc(Cl)n2)n1 1120834141 YZIOGFVQRBQFCS-QMMMGPOBSA-N 292.795 3.587 30 20 CHED C=C1CCC(C(=O)Nc2cc(F)c(OC)cc2OC)CC1 889455328 ZBPCKRABJGVTLS-UHFFFAOYSA-N 293.338 3.528 30 20 CHED C[C@@H](OC(=O)c1cccc2[nH]ccc12)c1cccc(C#N)c1 782940665 FOWNDNWMUFUMCH-GFCCVEGCSA-N 290.322 3.958 30 20 CHED CN(C(=O)c1csc(C#N)c1)c1nc2ccccc2s1 1124693709 REJOXAZXYIMEHM-UHFFFAOYSA-N 299.380 3.506 30 20 CHED Cc1c(Cl)cnc(NCc2ccc(Cl)nc2)c1C#N 784150885 HGJREDJKKSEROX-UHFFFAOYSA-N 293.157 3.576 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccccc1[N+](=O)[O-] 783772587 MVLZJPQKJVHMIY-VXGBXAGGSA-N 261.325 3.819 30 20 CHED N#CCC[C@@H](C#N)CN[C@@H](C1CCCCC1)C(F)(F)F 1120596065 APDTUHTVRHHQIB-AAEUAGOBSA-N 287.329 3.531 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H](C)c1ccc(Cl)cn1 786643831 JXVWGRLQXPNLOL-QMTHXVAHSA-N 267.756 3.942 30 20 CHED CCCCCCCOC(=O)[C@H]1CCO[C@@H](CC)C1 780136991 IOGVPCATVSPAGT-KBPBESRZSA-N 256.386 3.705 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)CC1CCCCC1 1134212124 IKWSJHQHVQXNQS-UKRRQHHQSA-N 264.413 3.744 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(-n2cccn2)cc1C 786640628 XUTFQOCVAOAQKC-SFHVURJKSA-N 298.386 3.826 30 20 CHED C=CCCOC(=O)c1c[nH]cc1-c1ccccc1F 787198427 WSCRDXCUAMFHTF-UHFFFAOYSA-N 259.280 3.554 30 20 CHED C=C1CC(c2noc(-c3c(C)ccc([N+](=O)[O-])c3C)n2)C1 896875713 MNKOWCRLZTUPQD-UHFFFAOYSA-N 285.303 3.695 30 20 CHED C#CCCCCCC(=O)O[C@H]1CCOc2c(C)cccc21 789507597 SKEUHUGKCQXOGQ-INIZCTEOSA-N 286.371 3.946 30 20 CHED C=CCOc1ccc(OC(=O)C23CCC(CC2)C3)cc1 784053334 NARRVMSCWYPGQG-UHFFFAOYSA-N 272.344 3.737 30 20 CHED Cc1cc(C=NNc2nc3ccccc3cc2C)sn1 785462487 VLNOCOIESWMMSK-UHFFFAOYSA-N 282.372 3.754 30 20 CHED CCc1nc(C)ccc1OCCCOc1ccc(C#N)cc1 788791760 QBLNNWAXDLENQQ-UHFFFAOYSA-N 296.370 3.672 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2C2CC2)cc1 899331792 BKBADJCJARMBNF-MDZDMXLPSA-N 266.344 3.502 30 20 CHED N#CCCCCNc1ccc(-c2c(F)cccc2F)nn1 892328840 XEHRFLOGFHOQLI-UHFFFAOYSA-N 288.301 3.528 30 20 CHED CCCCCCCCC(=O)NCC1(c2ccccn2)CC1 788149337 TZJHTPVURPBUOW-UHFFFAOYSA-N 288.435 3.980 30 20 CHED CC(C)(CNCc1ccc(C#N)s1)C1CCCC1 513544258 FXYLXERKYOWHOJ-UHFFFAOYSA-N 262.422 3.926 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H]1c1cccc(C)c1C)C(C)C 798551677 BFZRDCWGCSOGKW-ROUUACIJSA-N 298.430 3.808 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1cc(C)on1 790281549 JAURLXQEHORUJS-UHFFFAOYSA-N 283.253 3.838 30 20 CHED C=CCCCCN[C@H](C)c1ncc(Br)s1 274410520 DHYVHSZAKQWBFH-SECBINFHSA-N 289.242 3.913 30 20 CHED C=CCC[C@@H](C)NC[C@@H](O)c1cccc(C(F)(F)F)c1 186003459 XOXSZJDINJRVEN-BXUZGUMPSA-N 287.325 3.683 30 20 CHED CC1(CNN=Cc2c[nH]c(C(F)(F)F)c2)CCCC1 793080899 DMMHTUGVBRNYAK-UHFFFAOYSA-N 273.302 3.537 30 20 CHED C=CCCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 735524188 JBBPTIVMHFERIC-GFCCVEGCSA-N 282.767 3.925 30 20 CHED CCc1cnccc1C(C)=NNc1cccc(Cl)n1 793176201 ZSRHBJFJFFHXSK-UHFFFAOYSA-N 274.755 3.529 30 20 CHED CSCCON=C[C@@H](C)c1cccc(Cl)c1 794576925 KTLLCZIXFUVHPJ-SNVBAGLBSA-N 257.786 3.809 30 20 CHED C[C@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CS1 591192098 OAHGTBGCKYUCIF-JQWIXIFHSA-N 275.421 3.557 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCN(C)[C@H](C)C1 793531131 CZXAMLKALYNPBA-ARFHVFGLSA-N 252.446 3.584 30 20 CHED N#CCCCN(Cc1ccccc1)C[C@H](O)c1ccccc1 796362853 YXQMLBHQBCTOQP-IBGZPJMESA-N 294.398 3.526 30 20 CHED CCC(=NNc1nc2ccccn2n1)c1ccc(CC)cc1 790195398 FQBNFNJWQNTAQB-UHFFFAOYSA-N 293.374 3.518 30 20 CHED COC(=O)c1ccc(Cl)c(/C=C\C(=O)c2ccco2)c1 794940970 HCNVMUNQFKKMHR-ALCCZGGFSA-N 290.702 3.616 30 20 CHED C=CCC1(C(=O)NCCCOc2cccc(C)c2)CCC1 790236379 FAIOZCDXWXHJMC-UHFFFAOYSA-N 287.403 3.627 30 20 CHED COCC1(CNc2ccc(C#N)cc2F)CCCCC1 558602611 WTNAIWCIIVPPPK-UHFFFAOYSA-N 276.355 3.706 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(SC(F)F)cc1 791200348 SQAQYACXJIYYQA-NSHDSACASA-N 283.343 3.533 30 20 CHED N#Cc1ccc(OC(=O)C2CC(c3ccc(F)cc3)C2)cc1 796712311 LUQICHFIRKPVCA-UHFFFAOYSA-N 295.313 3.797 30 20 CHED C=CC[C@H](C)NCc1c(Cl)nc2cc(Cl)ccn12 796307752 CXTNALYJKYBGMD-VIFPVBQESA-N 284.190 3.695 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCCc3ccc(F)cc32)cc1 797241708 SUUUBCOIQJZBIM-KRWDZBQOSA-N 295.313 3.932 30 20 CHED CC(CCc1cccc(C)c1)=NNc1cccc(F)n1 795009946 PVKBKQFLIXQMBK-UHFFFAOYSA-N 271.339 3.950 30 20 CHED CCCCCCCCCN1CCN(C[C@@H]2CCCO2)CC1 792198363 CKTFSKQNBHMMMN-SFHVURJKSA-N 296.499 3.534 30 20 CHED C=CCCCCC[C@H](C)NC[C@H](O)c1ccccc1 793521155 VJWZQBMRHMFDRZ-RDJZCZTQSA-N 261.409 3.835 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1cc(C)c(C)cc1C 797108881 DTTKBOZXACOKKQ-WAYWQWQTSA-N 298.338 3.888 30 20 CHED COc1cccc(C=NN[C@@H]2CCCCC2(C)C)c1F 799887092 LWTIKZUUGHPDPV-CQSZACIVSA-N 278.371 3.727 30 20 CHED COc1cccc(NCCCC(C)(C)C#N)c1F 690036964 RBUGJUMSJWQMLI-UHFFFAOYSA-N 250.317 3.576 30 20 CHED CCO[C@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)C12CCC2 87709574 UOCRPGDLDJQLBV-CABCVRRESA-N 290.794 3.971 30 20 CHED CCCC[C@@H](CC)CNCc1ccc(OC)c(C#N)c1 87822519 WAQSWPFDVDXTKN-CQSZACIVSA-N 274.408 3.873 30 20 CHED C#CCCCCC(=O)N1CCC(C)(C)CC(C)(C)C1 699673191 GBCXIBVLZYXMDY-UHFFFAOYSA-N 263.425 3.855 30 20 CHED C[C@@H](CNc1ncc(C#N)cc1F)c1ccc(F)cc1F 1306978729 LVGXDSVEZUFBCZ-VIFPVBQESA-N 291.276 3.586 30 20 CHED Cc1c(Cl)cnc(N(CC2CCC2)CC2CC2)c1C#N 1307105016 GMYKZEZYUNCICO-UHFFFAOYSA-N 289.810 3.932 30 20 CHED Cc1ccccc1COC(=O)c1cccc(C#N)c1C 1321412537 ZNKCQJUJAJYZGW-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)nn1)[C@H]1C[C@H]1C 1327462016 XFZOMADZSMAWJX-MNOVXSKESA-N 260.385 3.608 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)CC#Cc1ccccc1 1256574672 CASLUMOCLWOXES-HNNXBMFYSA-N 256.345 3.550 30 20 CHED CCSCc1ccc(C(=O)N(CC)[C@@H](C#N)CC)cc1 1339067253 OKWAVVSISNFCEU-OAHLLOKOSA-N 290.432 3.704 30 20 CHED C=CC[C@@H](NC(=O)CC(C1CC1)C1CC1)c1ccncc1 1339142638 XHHSQBHHRMPYAA-QGZVFWFLSA-N 284.403 3.641 30 20 CHED C[C@@H](c1ccco1)N(C(=O)c1ccc(C#N)cc1F)C1CC1 1336304315 SVOVUGFXTPQGMR-NSHDSACASA-N 298.317 3.656 30 20 CHED N#C[C@H](NC(=O)c1csc2ccccc12)C1CCCC1 1338216117 OAXZDQNQNAACRR-AWEZNQCLSA-N 284.384 3.713 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)O[C@H](CC#N)c1ccco1 1345546429 FFUYPBHBWVCZOU-YRGRVCCFSA-N 261.321 3.604 30 20 CHED Cc1ccc(C[C@H](C)C(=O)O[C@H](CC#N)c2ccco2)cc1 1345982613 VTNIVGHANORAQM-WMLDXEAASA-N 297.354 3.965 30 20 CHED CC[C@H](C(=O)OCc1ccc(C#N)s1)c1ccccc1 1349866877 FRISAQRWVFVMEC-HNNXBMFYSA-N 285.368 3.857 30 20 CHED CC(C)=CCCSCCC(=O)Nc1cccc(C#N)c1 1350499125 CNQITEIAQAEZKV-UHFFFAOYSA-N 288.416 3.976 30 20 CHED CC[C@@H](F)C(=O)Nc1ccccc1SC[C@H](C)C#N 1353574079 RMAQCWOXJQBAAF-GHMZBOCLSA-N 280.368 3.625 30 20 CHED C=C(CC)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 1521126826 SEFNIGJTFAGXTC-IAQYHMDHSA-N 261.340 3.701 30 20 CHED C[C@@H](Cc1cccs1)N(C)c1nc(C#N)c(Cl)s1 1458235746 YQMSZYCNMHDNHG-QMMMGPOBSA-N 297.836 3.797 30 20 CHED CCSc1ccccc1CC(=O)Nc1cccc(C#N)c1 1521495713 SYAJIPHGOIYBDV-UHFFFAOYSA-N 296.395 3.851 30 20 CHED N#C[C@@H](C(=O)C1CCCCCCC1)c1cccc(F)n1 1524706356 ZSBUANCDZKTNJR-CYBMUJFWSA-N 274.339 3.757 30 20 CHED CCCc1cc(C(=O)Nc2cc(C#N)cc(C)n2)sc1C 1534294168 PRHIMIFPMHLGGO-UHFFFAOYSA-N 299.399 3.836 30 20 CHED C=C(CC)COc1ccn(Cc2ccccc2)c1C(=O)O 1602774569 QHTVILOILPIWKV-UHFFFAOYSA-N 285.343 3.580 30 20 CHED COC(=O)c1ccc(Sc2ccc(C)cc2C)c(C#N)n1 1472637559 ZDITXXDCCPYAAD-UHFFFAOYSA-N 298.367 3.508 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2cc(Cl)cs2)cc1 1610819529 IRRWOKQHQWBBGJ-AATRIKPKSA-N 292.743 3.996 30 20 CHED C[C@@H]1[C@@H](CNC(=O)Nc2cccc(C#N)c2)CCC[C@H]1C 1475916994 NOSPYIRTRYCBSJ-VNHYZAJKSA-N 285.391 3.752 30 20 CHED Cc1cccc([C@H]2CCN(CCc3ccc(C#N)cc3)C2)c1 1617153304 BKRMAMYKCWMZGL-FQEVSTJZSA-N 290.410 3.899 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CC1 1476097319 SQNBWRJBFZICHV-YPMHNXCESA-N 289.354 3.788 30 20 CHED C#CCCCCC(=O)Nc1cc(F)ccc1Cl 120091244 PPSSPCRJJGWWAD-UHFFFAOYSA-N 253.704 3.611 30 20 CHED Cc1ccc(C(C)(C)CNc2ncccc2C#N)c(C)c1 1559199120 RYTFAAPRIJOBAN-UHFFFAOYSA-N 279.387 3.960 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)c(F)c1 1639404226 ZGGLAVDBLYLWNA-QCEMKRCNSA-N 299.393 3.887 30 20 CHED CCCC[C@@H](CC)CCCN(C)c1ccc(C#N)nn1 1640177557 FHWYTSWIHRUWGP-CQSZACIVSA-N 274.412 3.781 30 20 CHED CC(C)[C@@H]1CCC[C@@H](Nc2cccc(C#N)n2)CC1 1650991451 RRSWCXGDDIDFJG-ZIAGYGMSSA-N 257.381 3.970 30 20 CHED Cc1ccc2c(c1)CCN2c1nc(C)c(C#N)cc1Cl 1651036682 KYJXPTPTORSOOP-UHFFFAOYSA-N 283.762 3.918 30 20 CHED N#Cc1cc(=Nc2ccc(CCC(F)(F)F)cc2)cc[nH]1 1650818923 ZWIRFFUMOQYMKY-UHFFFAOYSA-N 291.276 3.614 30 20 CHED Cc1nc(NCC(C)(C)c2ccc(F)cc2)ccc1C#N 1655101116 ICMSWYWQDFMNAG-UHFFFAOYSA-N 283.350 3.791 30 20 CHED Cc1ccccc1SC[C@H](C)CN(C)[C@H](C)CC#N 1652893743 WAXOLGOYQPADNO-UKRRQHHQSA-N 276.449 3.957 30 20 CHED CN(Cc1c(F)cccc1F)[C@H](C#N)c1ccccc1 1654530234 PAPAOFOXIROMEF-MRXNPFEDSA-N 272.298 3.661 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)cc1 1657570946 NFMDAKHTFIAGRH-HUUCEWRRSA-N 285.391 3.895 30 20 CHED O=C(O)c1cc2cc(C=NOC3CCCCC3)ccc2o1 1776056424 KROIHSGQCLNZPA-UHFFFAOYSA-N 287.315 3.814 30 20 CHED CCCON=Cc1ccc(-c2ccc(C(=O)O)cc2)s1 1776082792 SJJQRQGBROOMNW-UHFFFAOYSA-N 289.356 3.874 30 20 CHED CSc1cccc(C=NNc2cccc(C(=O)O)c2)c1 1776037787 BYQAMXHXWZIMHM-UHFFFAOYSA-N 286.356 3.553 30 20 CHED CCc1c(C)sc(NC(=O)/C=C/c2ccco2)c1C#N 6122831 QSEFNPSJVIEMFB-VOTSOKGWSA-N 286.356 3.736 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)nn1C 164024212 JUEBCKLGGUNNRJ-MDZDMXLPSA-N 268.360 3.748 30 20 CHED CCN(C(=O)c1cccc(C)c1F)c1ccc(C#N)cc1 151998763 LCBCCRYKXQBNKE-UHFFFAOYSA-N 282.318 3.673 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccccn2)cc1 152350794 OEVVEIJPHQMGDB-HUUCEWRRSA-N 280.371 3.505 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1CSC 157614334 DBOXLBRSTFOMNK-ZDUSSCGKSA-N 257.443 3.701 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCc3ccccc32)c1 834901950 BZHKIYHUZMGLIF-LJQANCHMSA-N 261.368 3.835 30 20 CHED C[C@H]1C[C@H](Nc2c(Br)cccc2C#N)CS1 1307143105 YKBUUJVDYFJICU-WPRPVWTQSA-N 297.221 3.627 30 20 CHED C[C@@H](Nc1cccc(OCC#N)c1)C1CCCCC1 37300662 QLSNSLNGVHJTCF-CYBMUJFWSA-N 258.365 3.970 30 20 CHED Cc1cc(CNc2cccc(OCC#N)c2)c(C)s1 49686175 JFPPKTTXNNWJSS-UHFFFAOYSA-N 272.373 3.879 30 20 CHED CN(CCS[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 295126346 BRGPFSGYGKMAJM-JKSUJKDBSA-N 274.433 3.544 30 20 CHED Cc1cc(Cl)cc(CNCCc2cccc(C#N)c2)c1 568667381 FAQQLWGCJLRSJM-UHFFFAOYSA-N 284.790 3.852 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)CCc1ccc(C#N)cc1 10756984 QGBDFQQAWYQHGD-OAHLLOKOSA-N 292.382 3.710 30 20 CHED C[C@@H](CC#N)N(C)Cc1c(Cl)cccc1Cl 59917542 ZYVOHAFDJJZKBZ-VIFPVBQESA-N 257.164 3.727 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCCO[C@@H]1C(C)C 177906627 CFQMFEZOSRJJBG-NVXWUHKLSA-N 283.456 3.914 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)NCc1cccc(C#N)c1 115987863 LFAPUZIWVHCPPH-HNNXBMFYSA-N 292.382 3.677 30 20 CHED CCCCCCOc1ccc(C(=O)NC[C@H](C)C#N)cc1 171845854 SJOZNIKLBMFCMC-CQSZACIVSA-N 288.391 3.535 30 20 CHED CCc1cnc(CN(C)[C@H](C)c2ccc(C#N)cc2)s1 177769531 HLCNNYHJZNAICO-GFCCVEGCSA-N 285.416 3.770 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(-c2ccccc2)on1 57650571 LHQFTKRHPQBLNU-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=CCn1c(SCCc2ccccn2)nc2ccccc21 61739452 KIAOGUOBFSNMAI-UHFFFAOYSA-N 295.411 3.952 30 20 CHED C=CC[C@@H](C)NC(=O)CSc1ccccc1Cl 116854224 MRGPWDUEWTYXNL-SNVBAGLBSA-N 269.797 3.513 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2cc(F)ccc2[nH]1 69304276 LWESAWJRUMUVTP-UHFFFAOYSA-N 293.301 3.739 30 20 CHED C=CCCCC(=O)Nc1ccc(OC(F)(F)F)cc1 175107626 GFRWBCFFTCJNSG-UHFFFAOYSA-N 273.254 3.880 30 20 CHED COc1cc(CNc2ccc(C#N)cc2)c2ccccc2n1 172775736 XSPVFENBILNBBL-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=CCCCC(=O)Nc1cc(NC(=O)C2CC2)ccc1C 175328152 HTMMLBPDPMNDPU-UHFFFAOYSA-N 286.375 3.638 30 20 CHED N#Cc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)cc1 174494511 HNZDHIYWGQQZTE-UHFFFAOYSA-N 295.317 3.524 30 20 CHED CCCCN(Cc1ccccc1F)c1ccc(C#N)cn1 63737080 LVMIUIWVCDCADJ-UHFFFAOYSA-N 283.350 3.899 30 20 CHED CCCC[C@H](CC)CC(=O)N(CC)C[C@@H](C)C#N 117239283 JNHRBMRYBGRJHT-KBPBESRZSA-N 252.402 3.601 30 20 CHED N#Cc1nccnc1Oc1ccc(OC2CCCCC2)cc1 301204649 RBFBSYJTFUACRQ-UHFFFAOYSA-N 295.342 3.852 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)[C@H](C)C1 113533554 HJYCGHXIJUZPHE-XJKCOSOUSA-N 285.391 3.699 30 20 CHED CCc1ccc(CC(=O)Nc2cc(C#N)ccc2C)cc1 172812117 NMTXYFAWXUAJII-UHFFFAOYSA-N 278.355 3.610 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@H](Cc2ccccc2)C1 302489676 JOTGPRYJIXLOBG-NVXWUHKLSA-N 277.371 3.777 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)CCc1ccc(C#N)cc1 24618957 MVCIRKJSQHBTEJ-ZDUSSCGKSA-N 298.411 3.772 30 20 CHED N#Cc1c(Cl)nsc1NCC1(C2CC2)CCC1 301800049 RVTXNOMWUBXGPZ-UHFFFAOYSA-N 267.785 3.660 30 20 CHED CCOCCC1(CNc2c(F)cc(C#N)cc2F)CCC1 301722261 RJMOAWAMLHQYKK-UHFFFAOYSA-N 294.345 3.845 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CCC(C)C)c(F)c1 176480415 PYYMWQNMRVGIBK-UHFFFAOYSA-N 276.355 3.536 30 20 CHED N#CC1(C(=O)Oc2c(F)cccc2Cl)CCCCC1 179944994 HODCURWEZVMXIP-UHFFFAOYSA-N 281.714 3.859 30 20 CHED N#CCc1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1 174716680 BSPUHABQLIZMJV-UHFFFAOYSA-N 283.375 3.551 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2cc(F)ccc2s1 172322368 PKKKRCSZHDPNAI-VIFPVBQESA-N 263.337 3.735 30 20 CHED C=CCCC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 176178768 OYCCJLHWYJFOIL-MEDUHNTESA-N 261.340 3.532 30 20 CHED C[C@@H](C[C@H](O)c1ccccc1)Nc1cccc(F)c1C#N 301622540 DXHUADRYCUNOSX-SJCJKPOMSA-N 284.334 3.621 30 20 CHED CC[C@@H](Nc1ccc(C#N)cc1F)c1c(C)noc1C 301816624 HHPYEBRBUVLBBT-CYBMUJFWSA-N 273.311 3.865 30 20 CHED C=CCCOCCNc1cc(C)nc2c(F)cccc12 301839293 XKMZDMCQPHWPRW-UHFFFAOYSA-N 274.339 3.687 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(Cc2ccccc2)CC1 188535978 OPBGQVGMDNNGFS-KRWDZBQOSA-N 271.404 3.728 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1ccco1 126476184 FOROSZULKPZEQA-GQCTYLIASA-N 277.663 3.737 30 20 CHED N#CCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 122027689 FNGJVRDXFWYCAV-UHFFFAOYSA-N 276.295 3.952 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(OCCF)c1 188517489 KVLSOPARZZDOAQ-OAHLLOKOSA-N 265.328 3.576 30 20 CHED CC[C@H](C#N)Nc1ccccc1SC[C@H](C)C#N 122237280 WPNSHCSPQKRUID-VXGBXAGGSA-N 259.378 3.652 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N[C@@H](C#N)CC 123499952 IYCIDUHNBOPNRW-LSDHHAIUSA-N 264.413 3.791 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)c1ccccn1 181385217 RDDMVONQDMGBMG-UONOGXRCSA-N 275.396 3.529 30 20 CHED COc1cc(N[C@@H]2CCC[C@@H](C#N)C2)c(OC)cc1Cl 185751211 GDNVWLFBSHUOBK-GHMZBOCLSA-N 294.782 3.851 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cc2ccccc2cc1O 314393572 SRCCCXVCDASXJM-UHFFFAOYSA-N 296.370 3.557 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2)ccc1N(C)C 120174048 RNMDLARFDXVYPH-UHFFFAOYSA-N 265.360 3.545 30 20 CHED CO[C@H]1c2ccccc2C[C@H]1NCCCCC(C)(C)C#N 411892768 LPMYGHQSFOMMSQ-SJORKVTESA-N 286.419 3.608 30 20 CHED CC#CCCCC(=O)N1CCCc2c(F)c(F)cc(F)c21 416021241 CPPMYCWVAQXEET-UHFFFAOYSA-N 295.304 3.577 30 20 CHED C[C@H](c1cccc(C#N)c1)N1C[C@H]2CCCC[C@H]2C1 187692036 MTUAIXAXUGLLHR-XYPHTWIQSA-N 254.377 3.741 30 20 CHED C=CCN(Cc1csc(C)n1)Cc1cccs1 72701873 QDCZDKUFEUEHLG-UHFFFAOYSA-N 264.419 3.701 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](CC)OC1CCCC1 126217412 YIWPXRVQEXHRQT-OAHLLOKOSA-N 294.439 3.703 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(F)c(Cl)c2F)c1 182768124 KEGFYYUIDIHXDJ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1OCCC 181516121 YPFSQQJESQLZLG-UHFFFAOYSA-N 262.353 3.515 30 20 CHED CC(C)CN(C(=O)[C@@H](C)CC(F)F)c1ccc(C#N)cc1 413258591 CFIJOHCNRZYOBO-LBPRGKRZSA-N 294.345 3.839 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)c(C)c2)o1 215011552 SUALLVLNBUSAQG-VURMDHGXSA-N 284.311 3.579 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 125740854 XJMPOAKENMYCTI-XQVHRTOBSA-N 282.796 3.519 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1C=CCCC1 189027344 GMJBMZGKMKPQEO-UONOGXRCSA-N 284.359 3.662 30 20 CHED CC(C)(CC#N)CN[C@H]1CC(C)(C)c2ccccc21 414168431 QQGXYWTYZZGOES-HNNXBMFYSA-N 256.393 3.938 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(F)c(Cl)c1F 185465138 QGOMMUKNGBFIGV-UHFFFAOYSA-N 298.701 3.804 30 20 CHED CC1(C)CCCc2cc(C#N)c(NCC3(C#N)CCC3)nc21 419014952 ASKZDAIKPKZJOH-UHFFFAOYSA-N 294.402 3.673 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1 78022999 AIDQNDKKQWFLSF-VMPITWQZSA-N 285.318 3.906 30 20 CHED C=CC1CCN(C(=O)C[C@H](C)c2ccc(F)cc2F)CC1 130602730 FIPJINQZYNXKEM-LBPRGKRZSA-N 293.357 3.883 30 20 CHED COc1ccccc1CSCCOc1cccc(C#N)c1 504426883 NDZGMXWJRGHDTI-UHFFFAOYSA-N 299.395 3.879 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1cccs1 48625050 LWFZNZJJGJDCHE-HYXAFXHYSA-N 256.326 3.579 30 20 CHED C[C@@H]1OCC[C@]1(C)/N=C(/O)CCc1cc2ccccc2o1 329657253 NCZCNVVCMFLFQP-SJCJKPOMSA-N 287.359 3.889 30 20 CHED COc1ccc(F)cc1N[C@@H](C)c1ccc(C#N)cc1 131693962 FHEPRLCHQIUPRZ-NSHDSACASA-N 270.307 3.879 30 20 CHED CC(C)(CC(=O)NCC1(C#N)CCC1)C1CCCCC1 416344904 FJOYQEBRXHAVEF-UHFFFAOYSA-N 276.424 3.793 30 20 CHED C[C@H](CN(C)Cc1ccccc1C#N)c1ccccc1 608976583 AFRURIDCBNQVNK-OAHLLOKOSA-N 264.372 3.794 30 20 CHED C=CCSCCNC(=O)N[C@H](C)c1cc(C)sc1C 194563482 ZMQZETXJTMJJHX-LLVKDONJSA-N 298.477 3.644 30 20 CHED N#Cc1cccc(CN2CCCc3sccc3C2)c1 609323024 QZQMWDUTENNWAZ-UHFFFAOYSA-N 268.385 3.568 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N(C)CC(C)(C)C 509403772 OTFIHPFDUGEJKG-UHFFFAOYSA-N 274.408 3.773 30 20 CHED N#Cc1ccc(OC(=O)[C@@H]2CCCc3sccc32)cc1 137507114 DGSQYAZUHIQEOT-CQSZACIVSA-N 283.352 3.645 30 20 CHED COc1cc(/C=C/C(=O)c2ccco2)ccc1SC 130870055 XUCJDNAOSSZUBG-FNORWQNLSA-N 274.341 3.906 30 20 CHED C=CCNc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 89104185 LJJDMYQNVMKBTK-LBPRGKRZSA-N 292.810 3.953 30 20 CHED N#Cc1ccc(-c2nnc(CSCc3ccco3)o2)cc1 133174240 UMKHCBGWJBNISJ-UHFFFAOYSA-N 297.339 3.635 30 20 CHED CCc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)s1 41518744 UCYFPHZELQVKDC-JTQLQIEISA-N 276.386 3.566 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1c(O)cccc1Cl 131186530 FBYLCUHJWDPEGG-UHFFFAOYSA-N 286.762 3.549 30 20 CHED C=C(C)CNC(C)(C)c1ccccc1Br 380326595 MJBBTULTGCGLKG-UHFFFAOYSA-N 268.198 3.850 30 20 CHED C=CCOc1ccc(CN[C@@H](C)C(F)(F)F)cc1Cl 424189028 ZFMUOYCOBBRHDA-VIFPVBQESA-N 293.716 3.945 30 20 CHED C=CCC[C@@H](C)Nc1cccc(NC(=O)C2CC2)c1 130603673 MGBWEJIIKQAHCY-GFCCVEGCSA-N 258.365 3.802 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1 328732566 HFCFMDGFYUUXTN-VZKILSJISA-N 278.396 3.523 30 20 CHED Cc1csc(C2(/N=C(/O)C[C@H]3CCOC3)CCCC2)n1 329851050 QLKQSXNGBYLQIH-GFCCVEGCSA-N 294.420 3.604 30 20 CHED CC(C)(C#N)c1ccccc1CSC1=NCCS1 135547840 YJLCTTHLXPWUIW-UHFFFAOYSA-N 276.430 3.824 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2C[C@@H]2C2CCCCC2)C1 328823408 GNZBNPDPFBTVEO-ASEORRQLSA-N 278.396 3.667 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc(CC#N)c1 49653795 YCHVNLZREIDWTD-ZDUSSCGKSA-N 296.345 3.725 30 20 CHED Cc1csc([C@H](C#N)C(=O)CCC2CCCCC2)n1 41519592 LQTGXSZQMZMQDB-CYBMUJFWSA-N 276.405 3.988 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1ccc(C#N)c(F)c1 192204497 OIMMKCFYPLLHTN-HOTGVXAUSA-N 292.423 3.851 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 513341137 RAEFGKHQAXFYGM-GOSISDBHSA-N 298.430 3.776 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N(C)CC(C)(C)C#N 424840330 GXCWZCPSPVFXNY-HNNXBMFYSA-N 286.419 3.572 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1F)c1cccnc1 334681637 UDHFJHBOCLMEJE-SNVBAGLBSA-N 258.321 3.946 30 20 CHED N#Cc1ccc(OCCNc2ccc(Cl)c(F)c2)cc1 515664940 UNUZIBJINCSTLG-UHFFFAOYSA-N 290.725 3.842 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc2ncsc2c1 339167904 JFKWOQJGZBSQBK-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N1CCCc2cc(C#N)ccc21 425608535 PCVMNBKPONPCGN-CZUORRHYSA-N 282.387 3.664 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc(O)c1 512044325 FHMBMOGBMNWWTG-UHFFFAOYSA-N 267.372 3.623 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2c2cncc(C#N)n2)cc1 420597438 IKYVPOOWJBSNBN-KSSFIOAISA-N 292.386 3.634 30 20 CHED CCCCCCCC[S@](=O)[C@H](C)c1cnccn1 190852008 IPLYHSIGAXNIRB-ACJLOTCBSA-N 268.426 3.647 30 20 CHED C[C@@H](c1c(F)cccc1F)N1CCC(CC#N)CC1 335977018 CVROAQJKEZVRTI-NSHDSACASA-N 264.319 3.651 30 20 CHED CC[C@@H](C)CC(=O)N(CCC#N)c1ccc(F)cc1 515943161 TVBCUVJBYMCGRF-GFCCVEGCSA-N 262.328 3.509 30 20 CHED Cc1cccc(NC(=O)N(C)CC(C)(C)C#N)c1Cl 336136963 SHFMTBXGGPWTAI-UHFFFAOYSA-N 279.771 3.662 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H](CCC)NC(C)C 510138206 BPMXPFCWQNGTRG-KRWDZBQOSA-N 288.435 3.910 30 20 CHED CC(C)(CCC#N)CN1CCO[C@H](c2cccc(F)c2)C1 92975924 RZJWGNNMZRQWBP-INIZCTEOSA-N 290.382 3.529 30 20 CHED CCC(C)(C)N(C)Cc1ccc(Br)cc1C#N 383408026 SFCBBFHPRCSSBP-UHFFFAOYSA-N 295.224 3.941 30 20 CHED Cc1cccc([C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)c1 333552958 UWYWXLQUGDPXRI-KSSFIOAISA-N 282.387 3.646 30 20 CHED Cc1ccc(C)c(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 336036745 ZTNYJQSXKQXGOJ-CQSZACIVSA-N 278.355 3.917 30 20 CHED C#CCCOc1ccc(CNc2cnn(CC(C)C)c2)cc1 90199502 TYBDBZXZAKSJTI-UHFFFAOYSA-N 297.402 3.553 30 20 CHED COc1cc(CN[C@@H](C)c2cc(C)oc2C)ccc1C#N 234937593 GKUPFTZGIOBUSE-LBPRGKRZSA-N 284.359 3.628 30 20 CHED CC[C@H](NC(=O)Nc1cc(C#N)ccc1OC)C(C)(C)C 520669250 RXJAJNNBEGJOLY-AWEZNQCLSA-N 289.379 3.513 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)c(Cl)c1 335085815 OAHZRDIFVJGBIP-NEPJUHHUSA-N 294.757 3.873 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(C)noc1C(C)C 343262236 UOSOGUPVMINZNJ-NSHDSACASA-N 264.369 3.581 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H](C)c2cccc(F)c2)n1 341024757 HWPBAFMFUHEQSH-JTQLQIEISA-N 287.363 3.958 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#N)cs1 437570828 STJIAYCBGHJGKJ-OLZOCXBDSA-N 276.405 3.708 30 20 CHED C=CCC(F)(F)c1nc(CSCc2ccco2)no1 340559805 DMIIGHLYOXKGEI-UHFFFAOYSA-N 286.303 3.764 30 20 CHED C[C@H](CN(C)C(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 528023648 AQZDNSHTTANDNX-IJEWVQPXSA-N 291.439 3.536 30 20 CHED CC[C@@H]1CN(CCCC#N)c2cccc(Cl)c2O1 343985098 DKZFLFAECVYPJN-LLVKDONJSA-N 264.756 3.621 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(F)c1SC 437187384 FSDMHRQAJJFEBY-LLVKDONJSA-N 279.380 3.728 30 20 CHED C=CCCC1(C(=O)Nc2nc(C(C)(C)C)co2)CC1 520424855 CXGAOGKWMOIGJV-UHFFFAOYSA-N 262.353 3.657 30 20 CHED N#Cc1cccc(NCc2ccc(C#N)cc2OC(F)F)c1 439553094 SQPAZOZVTUDIFX-UHFFFAOYSA-N 299.280 3.643 30 20 CHED C=CCOCCCN1CCC(c2ccsc2)CC1 348112815 GBZSXCQMFZCDAP-UHFFFAOYSA-N 265.422 3.520 30 20 CHED C[C@@H]1[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCC[C@H]1C 435158184 IQTCEMUHLGPUMG-KEYYUXOJSA-N 296.414 3.531 30 20 CHED C[C@H](CCC#N)CN(Cc1ccc(F)cc1)C1CC1 602422970 ASOIPJLBQMSVKB-CYBMUJFWSA-N 260.356 3.730 30 20 CHED CCC[C@@H](CNCC1(CC#N)CC1)c1ccccc1 430049386 YURFNDXCBLVWJU-INIZCTEOSA-N 256.393 3.854 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@H](C)c1ccco1 528526445 YYRAQKUCABXUIF-AWEZNQCLSA-N 299.370 3.654 30 20 CHED C[C@H](CCC#N)CNc1ccc(-c2csnn2)cc1 602492857 RTVZIMQAOYFZDS-LLVKDONJSA-N 272.377 3.557 30 20 CHED Cc1cccc([C@H](NCc2ccc(C#N)cn2)C(C)C)c1 527892279 JMYBCJAXWWCSIT-GOSISDBHSA-N 279.387 3.749 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(C(C)C)cc1 435749383 SZDNZITVWDKJSQ-ROUUACIJSA-N 273.420 3.881 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCCCC3)c2c1 525170365 JFUZRCHAUKTFRZ-UHFFFAOYSA-N 265.360 3.714 30 20 CHED C=C[C@@H](CC(=O)Nc1cccnc1C)c1ccccc1 340176626 PIYVFBWMBTWMIK-AWEZNQCLSA-N 266.344 3.688 30 20 CHED CCC[C@H](C#N)NC(=O)c1cccc(Oc2ccccc2)c1 608815157 JHWJXJPUMHXQPM-OAHLLOKOSA-N 294.354 3.901 30 20 CHED COCc1ccc(N[C@@H]2CCc3ccccc32)cc1C#N 529642125 FHJDQRIKFPJUAQ-GOSISDBHSA-N 278.355 3.804 30 20 CHED CCC1(CC)[C@@H](NC2CCC(C)(C#N)CC2)C[C@H]1OC 449186682 JOCOAYWNWMDARZ-PWUWZPNHSA-N 278.440 3.642 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2csc3ccccc23)C1 442763945 HJPXCLMDNGJDFZ-TZMCWYRMSA-N 270.401 3.726 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 448960832 LBAWBNFKWYRLAU-LLVKDONJSA-N 299.336 3.965 30 20 CHED C=CCCC1(C(=O)Nc2ccc(N(CC)CC)nc2)CC1 354588294 VWVZUWXGKMWIHH-UHFFFAOYSA-N 287.407 3.613 30 20 CHED C[C@H](CCC#N)CN[C@H](C)C(C)(C)c1ccccc1 602534342 SZCAPEKSTJISSG-HUUCEWRRSA-N 258.409 3.882 30 20 CHED C[C@@H](CCC#N)CNCC[C@@H]1CCc2ccccc21 602673760 NEWYEXQUASENCF-HOCLYGCPSA-N 256.393 3.636 30 20 CHED CC[C@@H](NCCCOCC(C)C)c1ccc(C#N)cc1 447515391 KDQZUCXEKAKRBI-QGZVFWFLSA-N 274.408 3.662 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)co1 444008849 ABBSIXKYDQGJTN-MRXNPFEDSA-N 296.370 3.880 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CCOc1ccc(F)cc1 604492745 JLFPHWSEBQJGQW-AWEZNQCLSA-N 298.361 3.769 30 20 CHED C[C@H](CC#N)NCc1nc(C2CCCCC2)cs1 602868323 ALZWHBAPTDAXBU-LLVKDONJSA-N 263.410 3.583 30 20 CHED N#Cc1cccc(N[C@@H]2CCc3sc(Cl)cc32)n1 357601925 DVJUJYHOAMJZND-SNVBAGLBSA-N 275.764 3.768 30 20 CHED N#Cc1ccncc1N[C@H]1CC[C@@H](Cc2ccccc2)C1 445677098 VOUQJELQKHPLCQ-RDJZCZTQSA-N 277.371 3.777 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(CC)CC(C)C 359257161 VQVKHYYAPPPINL-UHFFFAOYSA-N 276.428 3.604 30 20 CHED CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccc(F)cc1 354796739 WAODLZZLCYGIQF-HNNXBMFYSA-N 296.345 3.876 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H]1C1CCCCC1)OCC 535123572 RPIDGGYJDUSVPO-SJORKVTESA-N 293.451 3.929 30 20 CHED C=CCN(CCOCCC(C)C)Cc1cccs1 615340408 RQPRINRSAMGUFX-UHFFFAOYSA-N 267.438 3.799 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)[C@]1(C#N)C[C@H]1C 448610187 GKIFBFHVPQEJSI-XIKOKIGWSA-N 296.370 3.503 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCc1cc(C#N)ccc1F 449970026 UDZQOSZHXYNONU-CQSZACIVSA-N 290.382 3.776 30 20 CHED C=C(C)CSCc1nc(-c2ccc(C)c(OC)c2)no1 441407348 DWTBVLRPZIFWMX-UHFFFAOYSA-N 290.388 3.863 30 20 CHED C=CCC[C@H](NC(=O)Cc1occc1C)c1ccccc1 612708319 LFGZJUNTZQLEJF-INIZCTEOSA-N 283.371 3.954 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1OCC1CC1 538333467 DVWBOGUXPYKPJN-CQSZACIVSA-N 287.403 3.950 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N(C)c2ccc(C#N)cc2)C1(C)C 610252683 HXDNLRMREMNBND-CVEARBPZSA-N 282.387 3.759 30 20 CHED C=C1CCN(C(=O)c2cc(SC)ccc2C)CC1 264122075 FHBDUUUHEDGSRC-UHFFFAOYSA-N 261.390 3.509 30 20 CHED CC(C)(CNc1cnccc1C#N)c1ccc(Cl)cc1 538743615 SUIQRZOBPDKJGX-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1cc(C)cc(C)c1 538326107 MGHLRADTMHOAMU-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C=CCC[C@@H](N[C@H](C)Cc1cnccn1)c1ccccc1 453180428 VSSJPDUUXSPKRF-CRAIPNDOSA-N 281.403 3.705 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)c2cccc(F)c2)C1 617782650 JSRMBDZHSDPFHH-KGLIPLIRSA-N 275.367 3.744 30 20 CHED C[C@H]1CCCC[C@H]1OCCNC1(c2cccc(C#N)c2)CC1 611396022 AQGKHKIXZQXYEY-MAUKXSAKSA-N 298.430 3.732 30 20 CHED N#CCN(CCCc1ccc(C(F)(F)F)cc1)C1CC1 610504513 SNTFBLWYCWRSNE-UHFFFAOYSA-N 282.309 3.626 30 20 CHED Cc1ccccc1[C@H](CC(C)C)Nc1nccc(C#N)n1 450334361 ZQLFRKAFAITZGW-INIZCTEOSA-N 280.375 3.856 30 20 CHED N#CC1CCC(CNC(=O)Nc2ccc3ccoc3c2)CC1 619663989 SWONZCZXASSJAC-UHFFFAOYSA-N 297.358 3.884 30 20 CHED C[C@H](c1ccc(F)cc1F)N1CCC[C@](C)(C#N)C1 612164748 HTRLJTHWKTYYDI-IAQYHMDHSA-N 264.319 3.651 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(COC(C)C)c1 454589303 APFYNCCFDLCIPC-UHFFFAOYSA-N 276.380 3.699 30 20 CHED Cc1cc(C)c(NC(=O)N(C)[C@@H](C)CC#N)c(Cl)c1 610663432 JDJFXXOUVYJENQ-NSHDSACASA-N 279.771 3.723 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C(=O)CC)ccc1Cl 279667235 LIYWKFGSOMLERF-UHFFFAOYSA-N 291.778 3.921 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2ccc(C)cc2)no1 273632281 AOSOGGWRRNCNJG-CYBMUJFWSA-N 272.348 3.623 30 20 CHED Oc1ccc2ccccc2c1/C=N/C1CC(F)(F)C1 277448798 QKVUWZUDPKFKKY-GIJQJNRQSA-N 261.271 3.762 30 20 CHED Cc1ccnc(N2CCC[C@H]2/C=C/c2ccccc2)c1C#N 544142104 LWMBOKRYKHOARL-FVNWOWOISA-N 289.382 3.944 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)c1cc(F)ccc1OC 546657538 YVTOHWZEXBAPOQ-YPMHNXCESA-N 294.370 3.549 30 20 CHED C=CC[C@@H](C(=O)N(CC1CC1)C(C)C)c1ccccc1 548610337 HZRAGTWPEQDKHF-QGZVFWFLSA-N 271.404 3.993 30 20 CHED Cc1ccccc1-n1c(C)nnc1S[C@@H]1CC[C@@H](C#N)C1 278588143 PMVJEIZOFZJSCH-ZIAGYGMSSA-N 298.415 3.669 30 20 CHED C[C@H](NC(=O)N1CCC(CC#N)CC1)[C@@H](C)c1ccccc1 540996211 ZYMHLECVOHUGPG-CABCVRRESA-N 299.418 3.514 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Cn1ccc2ccccc21 452782489 KKLGUXSBJQKPPG-CQSZACIVSA-N 284.403 3.606 30 20 CHED C=CCOc1c(Cl)cc(CN(C)C2CC2)cc1OC 628135270 QWIZTNPEPBZQFQ-UHFFFAOYSA-N 281.783 3.508 30 20 CHED C=CCC1(NC(=O)c2cccc(CC#N)c2)CCCCC1 456384224 QAFPODVZZLJTHT-UHFFFAOYSA-N 282.387 3.761 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(C2CC2)c1 453339619 HJDWKMDSRMDLIS-VHSSKADRSA-N 271.404 3.948 30 20 CHED CC(C)CCc1noc([C@H](C)Oc2ccc(C#N)cc2)n1 544824082 ULSQTGVAQSTOQF-LBPRGKRZSA-N 285.347 3.670 30 20 CHED CCC[C@H](C)[C@H]1CCCN1c1nccc(C)c1C#N 543206445 ZBPOUFHZXWEKGT-DZGCQCFKSA-N 257.381 3.667 30 20 CHED C=CCCOCC(=O)N1CC(C)(C)c2c(Cl)cccc21 621977860 SCLJBIQTIHCGCE-UHFFFAOYSA-N 293.794 3.557 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)C(C)(C)C 622945002 OITWZYUDOXMMFC-CQSZACIVSA-N 289.419 3.687 30 20 CHED C=CCSCCN[C@H](C)c1ccc(OC)c(Cl)c1 541897432 OUUVZDVNQCYZKV-LLVKDONJSA-N 285.840 3.918 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@@H](C)c2ccccc21 458815837 ZJVGUTAKXXXLJE-CYBMUJFWSA-N 272.392 3.922 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](COC)C(C)C)c1ccccc1 548289538 DKDILOLBSKWRLF-IRXDYDNUSA-N 289.419 3.524 30 20 CHED CCc1nc(CNc2ccccc2O[C@@H](C)C#N)cs1 272384495 BWQYWVIYGGQISF-NSHDSACASA-N 287.388 3.608 30 20 CHED C=CCCCC(=O)N1CCC(C(=O)c2cccs2)CC1 363667752 XZNOZYOUTZUFHL-UHFFFAOYSA-N 291.416 3.526 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 456103076 DOQVBHFQCYLBPU-KRWDZBQOSA-N 299.374 3.614 30 20 CHED C=CCCc1noc(C[C@@H](CC)c2ccc(OC)cc2)n1 453240369 UDHPPPLDZWDVIV-CYBMUJFWSA-N 286.375 3.933 30 20 CHED N#CCc1ccc(NC(=O)CCC2CC2)c(Cl)c1 452643048 IWLREOQRTQJVIQ-UHFFFAOYSA-N 262.740 3.535 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C(C)C)C1 549702914 VYWRWHAKLRWNBI-CABCVRRESA-N 290.455 3.850 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)c1ccc2ccccc2c1 467060098 QWYUMKNHJJVTEE-AWEZNQCLSA-N 267.372 3.978 30 20 CHED C=CCCOCC(=O)N(CCC)[C@@H](CC)c1ccccc1 620328188 MAFMISYGZFFGQO-KRWDZBQOSA-N 289.419 3.969 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(F)c(F)c(F)c1F 620863423 TYUHFZHHIVEYTE-UHFFFAOYSA-N 289.272 3.718 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)[C@H]1COc2ccccc21 543554735 XLENGSPMCHNSER-OFQRWUPVSA-N 259.393 3.886 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1ccccc1SC 282270899 PNIJEUHBVCDTDG-ZDUSSCGKSA-N 293.432 3.569 30 20 CHED C=C(C)COCCNC(=O)[C@H](CC)C1CCC(C)CC1 461023062 BYJJVPAEGUTKAY-UYSNPLJNSA-N 281.440 3.548 30 20 CHED Cc1ccccc1C1(C(=O)N[C@H](C#N)C(C)(C)C)CCCC1 464709238 HVIVMGMJSSSEKJ-MRXNPFEDSA-N 298.430 3.861 30 20 CHED CC1(C)CC[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 286854007 BRSUJMOMRQREOV-HUUCEWRRSA-N 285.391 3.519 30 20 CHED CCOC(=O)[C@H](CC)Sc1ccc(C#N)cc1Cl 551448975 PREQFFUDMQFSER-NSHDSACASA-N 283.780 3.645 30 20 CHED C[C@H](C(=O)N1CCC2(CCCC2)CC1)c1cccc(C#N)c1 462109439 ALGZGMPTOSHUOK-HNNXBMFYSA-N 296.414 3.845 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)c(OCC(F)F)c1 466567543 PCVFUZGQHBIGAC-UHFFFAOYSA-N 298.333 3.679 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H]1CCC[C@H]1C 469815771 JCBZBWGTJGEQJV-CABCVRRESA-N 275.392 3.663 30 20 CHED C=CCC[C@H](NC[C@H](c1ccco1)N(C)C)c1ccco1 285889402 ZXYSIWKXHFRQBZ-LSDHHAIUSA-N 288.391 3.772 30 20 CHED N#Cc1ccc(CCC(=O)NCCCCC2CCCC2)cc1 464549461 MPMRGHYNTPTRPY-UHFFFAOYSA-N 298.430 3.968 30 20 CHED C=C[C@@H](C)NC(=O)N(CCC)Cc1c(F)cccc1Cl 464758712 YQXHTJAITOLETA-LLVKDONJSA-N 298.789 3.975 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)c1ccc(F)cc1 466544691 XXVHVPGFPIIELO-CQSZACIVSA-N 263.356 3.574 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1sccc1C#N 288154724 OPNDFFWZNVQICH-UHFFFAOYSA-N 274.345 3.897 30 20 CHED COc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1C 558500106 FBBNCKFOBKWLQA-GOSISDBHSA-N 292.382 3.652 30 20 CHED C=C[C@H](C)N[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 638750444 ULOPABPTQPXRSV-LESCRADOSA-N 270.420 3.519 30 20 CHED C[C@@H]1C[C@@H](NCc2ccc(OCC#N)cc2)c2ccccc21 808706013 WGXXRGDDCIWGJA-AUUYWEPGSA-N 292.382 3.927 30 20 CHED COc1ccc([C@@H](Nc2cc(C#N)ccn2)C(C)C)cc1 298155922 LGJWTYKDVROZQK-KRWDZBQOSA-N 281.359 3.771 30 20 CHED N#C[C@]1(C(=O)Nc2cccc(Cl)c2)CC12CCCC2 294258522 QEJCTFDOWSNZCV-HNNXBMFYSA-N 274.751 3.753 30 20 CHED C[C@@H](C#N)CN(C)C(c1ccccc1)c1ccccc1 298670106 JBASEQMISFRENF-HNNXBMFYSA-N 264.372 3.867 30 20 CHED C=CCCOCCCCC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 647499591 WYKUJIHEXRLHDY-HOTGVXAUSA-N 293.451 3.787 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC1CC1)C1CCC1 474662456 GKHLAPCWUYNSNO-CYBMUJFWSA-N 264.413 3.705 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCc1ccco1 471512668 YEJWBNJRDCMQSY-UHFFFAOYSA-N 298.386 3.610 30 20 CHED Cc1ccc(C)c(OCCCSCCO[C@H](C)C#N)c1 802749448 CSYSPDORASAEPA-OAHLLOKOSA-N 293.432 3.734 30 20 CHED C=C(CNCc1ncc(CSC)s1)c1ccccc1 293542452 KIHFCQQRFDRTDT-UHFFFAOYSA-N 290.457 3.809 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)CC1CC1 471908305 DNGXYFLOIMFVPA-OAHLLOKOSA-N 286.419 3.963 30 20 CHED C[C@H]1CC(N[C@H]2CCc3ccc(C#N)cc32)C[C@H](C)C1 568569289 LPRVLCPMAPSKDR-VFVRVIDISA-N 268.404 3.960 30 20 CHED C=CCn1cccc1-c1nc(Cc2cccc(Cl)c2)no1 569288396 HCKBFPLSLZITPW-UHFFFAOYSA-N 299.761 3.968 30 20 CHED C#C[C@H](Nc1cc(CC)ncn1)c1ccc(Cl)cc1F 804808244 NBVZWKINWMUZPA-AWEZNQCLSA-N 289.741 3.618 30 20 CHED CCCC[C@H](NC[C@H](C#N)CCC#N)c1ccc(OC)cc1 568975430 GKODQTJFUIMRQK-YJBOKZPZSA-N 299.418 3.960 30 20 CHED CO[C@@H](COC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 801321377 LAZGVGLKWWNATM-ZDUSSCGKSA-N 295.766 3.511 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 292903267 VEGYQISKHNFBEV-CQSZACIVSA-N 275.367 3.744 30 20 CHED C=CCCCCNC(=O)CCc1cnc2ccccc2c1 471132348 FDQZURNWXNUHLD-UHFFFAOYSA-N 282.387 3.640 30 20 CHED CC[C@H](NCCc1ccc(C)nc1)c1ccc(C#N)cc1 569312424 HNGJSTLOHDRMTE-SFHVURJKSA-N 279.387 3.545 30 20 CHED Cc1cc(C)cc(C(=O)Nc2nc(Cl)c(C#N)s2)c1 813369961 SHFYXKWYSCVCGW-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CC(Cc1ccc(O)cc1)=NNCc1cccc(Cl)c1 814867370 BGSCZGRGMOFHHE-UHFFFAOYSA-N 288.778 3.754 30 20 CHED C=CCN1CCC(N[C@@H](CCC)C2CCCCC2)CC1 482647171 ABANHPKYWKJJQF-SFHVURJKSA-N 278.484 3.975 30 20 CHED C#Cc1ccccc1CC(=O)N(C)c1ccc(SC)cc1 811898785 VAMCBFBSYNEMHM-UHFFFAOYSA-N 295.407 3.595 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccc(F)cc1C 815593456 MNGYXDRHDBAHOM-OAHLLOKOSA-N 297.373 3.997 30 20 CHED C#C[C@H](C)N(C)C/C(C)=C/c1ccccc1OC(F)F 811495966 NHEZQELITFQUKD-XSNHNAGMSA-N 279.330 3.645 30 20 CHED CC(C)CN(CCC#N)Cc1ccnc(Cl)c1Cl 811453564 OHCKOCIUSLBASH-UHFFFAOYSA-N 286.206 3.760 30 20 CHED CO[C@](C)(C=NNc1nc2ccccc2s1)C1CC1 814685752 WBOFVWXHNXWIER-CQSZACIVSA-N 275.377 3.509 30 20 CHED C[C@@H]1CCC(=NNc2cccc(C(F)(F)F)n2)C1 814853624 RJEWADCRMIYVJV-MRVPVSSYSA-N 257.259 3.688 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)c1ccc(OC)cc1 488879686 PKBYESJRVHNWQC-GDBMZVCRSA-N 287.403 3.756 30 20 CHED CCCCC[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)C(C)C 819631924 GTEOGRKIFLRCAJ-ZNMIVQPWSA-N 264.413 3.647 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@@](C)(OC)C1 811927287 NNSAQEGSHCMVAU-QGZVFWFLSA-N 296.455 3.724 30 20 CHED C=CCC1(c2nc([C@H]3CCOC(C)(C)C3)no2)CCC1 651440269 JEQCPQNESNAZKG-LBPRGKRZSA-N 276.380 3.740 30 20 CHED C=CCN(CCC#N)c1cc(C(C)(C)C)nc(C(C)C)n1 488518975 OVSHDVICTABZSB-UHFFFAOYSA-N 286.423 3.804 30 20 CHED C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@]1(C#N)CC1(C)C 813301137 ZMAGLHDMEJBTIP-JXMNSVBMSA-N 288.778 3.552 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1cccc(NC(=O)C(C)C)c1 819281444 UOVHXOYUVGXUJP-UHFFFAOYSA-N 289.375 3.789 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H](CCO)c1ccccc1 657889713 TVQHKOPJUIZBAV-QYZOEREBSA-N 287.447 3.877 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 814934447 VJJFCTABCCFELI-NWDGAFQWSA-N 273.367 3.919 30 20 CHED C#CCOc1ccccc1CNCc1cc(C)cc(Cl)c1 815126807 RPHJMJPAODPCAU-UHFFFAOYSA-N 299.801 3.950 30 20 CHED CCC1(C=NNc2ccc(F)c(F)c2F)CCOCC1 814946549 RDPKYXXXDXFAGJ-UHFFFAOYSA-N 286.297 3.708 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 726435948 ZSKNTXPGURWKGS-QEWYBTABSA-N 298.455 3.779 30 20 CHED CC(C)C[C@@H](C(=O)Nc1cccc(C#N)n1)c1ccccc1 579112503 LJRVMVSWCNAMBL-MRXNPFEDSA-N 293.370 3.722 30 20 CHED C=C(C)C(C)(C)C(=O)OCC(C)(C)C1OCC(C)(C)CO1 820307719 KDODLQGKVOOLFT-UHFFFAOYSA-N 298.423 3.557 30 20 CHED CCCCCCCCCNC(=O)Cc1cscn1 820930425 QIKSETJZLYVGIV-UHFFFAOYSA-N 268.426 3.552 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCC1=CCCC1 666959815 NXNQSOCVXGMINU-UHFFFAOYSA-N 288.366 3.634 30 20 CHED Cc1cc(C=NNc2ncccc2Cl)ccc1F 729142607 WGAVPQSSRDJKEI-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@H](O)c1cccc2ccccc12 825018494 PHIBGRAROLVKST-KSSFIOAISA-N 297.398 3.592 30 20 CHED Cc1c(C(=O)N2CCC(CCC#N)CC2)ccn1C(C)C 581490347 GPBBQUNLNULRBQ-UHFFFAOYSA-N 287.407 3.533 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Cc1cccc(C)c1 588360708 WEPIRDCQKKJTDF-UHFFFAOYSA-N 279.383 3.752 30 20 CHED C=CC[C@H]1N(Cc2ccc(C(=O)O)o2)CCCC1(C)C 902546537 WQFJKCSUTWWNNU-CQSZACIVSA-N 277.364 3.545 30 20 CHED C=CCN(CCCc1cccc(OC)c1)CCc1ccco1 491258235 CIQAHKJKABEYAG-UHFFFAOYSA-N 299.414 3.952 30 20 CHED N#CCCC1CCN(CCC2(C#N)CCCCC2)CC1 582782685 JYEKIUBPIUJFEY-UHFFFAOYSA-N 273.424 3.866 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CCc2ccc(F)cc21 730147464 OPZFUOYOTKGPNH-SMLKNPDNSA-N 285.318 3.646 30 20 CHED CC[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1cccc(C#N)c1 902954938 ZTJSCBMNSNGUKF-OKZBNKHCSA-N 284.403 3.557 30 20 CHED CCc1c(Cl)ncnc1N[C@H]1CCc2cc(C#N)ccc21 828041723 WKEQYLFEQBFGFD-AWEZNQCLSA-N 298.777 3.663 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1cccc(Cl)c1Cl 828108563 LZAZFMNRGABBIY-SNVBAGLBSA-N 284.186 3.830 30 20 CHED C=C(C)CN(C)Cc1cc(C)c(C)cc1OC(F)F 497185419 ZNGQTTNASPWXES-UHFFFAOYSA-N 269.335 3.913 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(CC)c(Cl)c1 490844359 PQZJMVBKGGNDKR-UHFFFAOYSA-N 266.772 3.942 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)CC(C)(C)C#N 497045760 FOLSQMOOZLPCEN-ZIAGYGMSSA-N 264.413 3.647 30 20 CHED Cc1ccncc1C=NNc1ccc(C(C)C)cc1 835018271 KRBXGLZVKDQGOE-UHFFFAOYSA-N 253.349 3.959 30 20 CHED C=C(C)COC(=O)COc1ccc(Oc2ccccc2)cc1 839256590 HKULQPZTHDPYNE-UHFFFAOYSA-N 298.338 3.977 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1csc(C(=O)O)c1 730730438 ZLSYIZKAEYCKPR-SNAWJCMRSA-N 294.278 3.621 30 20 CHED CC[C@H]1CCCC1=NNc1cccc(C(=O)OC)c1F 835019410 WDAXCNGFKJXURG-JTQLQIEISA-N 278.327 3.590 30 20 CHED C=CCCCCCCNC(=O)NC[C@@H]1CCOC(C)(C)C1 836458461 XTJHCZRJZNOUNW-OAHLLOKOSA-N 296.455 3.627 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H](C(C)(C)C)CC1 734763996 XKCBKBJMFOIRED-ZDUSSCGKSA-N 268.470 3.585 30 20 CHED CC(=NOCc1noc2c1CCCC2)c1ccc(F)cc1 902857098 XZHGSURHKCCAAQ-UHFFFAOYSA-N 288.322 3.633 30 20 CHED C=C(C)CNC(=S)N[C@H](c1ccccc1C)C(C)C 732624646 TUQRASYASVAURX-HNNXBMFYSA-N 276.449 3.732 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)/C=C\C2CCCCC2)C1 735472528 SROPMGHCJLBSHG-HLAJSXCISA-N 274.408 3.712 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)COc2ccc(F)cc21 731565565 UFZXGDJUYDKXRQ-TWGQIWQCSA-N 290.240 3.763 30 20 CHED CSC[C@H](C)C(=O)N(O)Cc1cccc2ccccc12 901369319 ARHADOXIFIMSJJ-LBPRGKRZSA-N 289.400 3.557 30 20 CHED C=CCC[C@H](N[C@@H]1CCCC[C@@H]1c1ccccc1)C(=O)O 901692344 LKFMYDIBUGFEBT-ZACQAIPSSA-N 287.403 3.722 30 20 CHED C#CCOc1ccccc1OC(=O)c1cc2ccccc2o1 730509815 JJIHZNMJFGVKSV-UHFFFAOYSA-N 292.290 3.664 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)Oc1ccc(C#N)cc1 734768651 RTXXFTHNLODAOK-AWEZNQCLSA-N 279.339 3.966 30 20 CHED CC1(C#N)CCC(=NNc2cc(C(F)(F)F)ccn2)CC1 834984718 FJMSRLKXISIUBY-UHFFFAOYSA-N 296.296 3.972 30 20 CHED Cc1cc(SCCCOCC(F)(F)F)ccc1C#N 582546304 LTICORFQEPUANU-UHFFFAOYSA-N 289.322 3.928 30 20 CHED C=CCC[C@H](C)NC[C@@]1(CC)OCCc2ccccc21 580863835 XXBQHSVODPSOLZ-MAUKXSAKSA-N 273.420 3.809 30 20 CHED C=CC1CCN(C(=O)Cc2nc(C(C)C)c(C)s2)CC1 582884900 VVULFFDQZLUPPO-UHFFFAOYSA-N 292.448 3.542 30 20 CHED CC(C)C[C@@H](C)OC(=O)NCc1ccc(C#N)c(Cl)c1 831411971 DTOZKAXPFGIAQD-LLVKDONJSA-N 294.782 3.872 30 20 CHED FC(F)(F)c1cccnc1NN=C1CCOC2(CCC2)C1 834940422 FYMUUWRRRYXHSG-UHFFFAOYSA-N 299.296 3.601 30 20 CHED CCCCCCC(=O)COC(=O)[C@@]1(C#N)CC12CCCC2 837902043 CUOTVTRFMJMIAT-KRWDZBQOSA-N 291.391 3.543 30 20 CHED Cc1ccc2oc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)cc2c1 839047962 KCCCTCIAWMUOQP-TZMCWYRMSA-N 283.327 3.980 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1C[C@H]1c1c(F)cccc1F 596216124 JYMLQPLBTAYWBQ-BXUZGUMPSA-N 285.297 3.508 30 20 CHED Cc1cc(C#N)ccc1-c1ccc(N2CCCC2)nc1 592987439 SWTPYEPHFFOLAN-UHFFFAOYSA-N 263.344 3.529 30 20 CHED CC[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)C1CCCCC1 595484692 NANMBRKYRIKLCZ-HOCLYGCPSA-N 291.439 3.681 30 20 CHED CC1(C)CN(C(=O)C#Cc2ccccc2)[C@@H]1c1ccccc1 747368448 HGBNVZTUVASYES-LJQANCHMSA-N 289.378 3.648 30 20 CHED COc1cccc(O)c1/C=N/Cc1cc2ccccc2o1 915978219 CMXUMXUWSWBPOE-WOJGMQOQSA-N 281.311 3.766 30 20 CHED CCCCNN=Cc1c(-c2ccccc2)nc2sccn12 915966539 WMHYILCLIYBLGY-UHFFFAOYSA-N 298.415 3.786 30 20 CHED C#CC1CCN(Cc2cccc(-c3ccccn3)c2)CC1 843426964 OXJMKPSBPMIVEX-UHFFFAOYSA-N 276.383 3.594 30 20 CHED Cc1ccc(C(=O)/C=C2/COc3ccc(F)cc32)s1 918155224 FCJXSILINZVJEH-POHAHGRESA-N 274.316 3.854 30 20 CHED CC(C)(C)c1ccncc1C/N=C\c1ccccc1O 840712160 WSIPSAZJOMSKNW-GRSHGNNSSA-N 268.360 3.704 30 20 CHED C=CCC[C@@H](NCc1ccc(C)nc1N1CCCC1)C1CC1 679724504 YSSLGVZWVUEMIK-GOSISDBHSA-N 299.462 3.825 30 20 CHED CCC[C@H](C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 744015091 GERXCRIOOJCZJV-JSGCOSHPSA-N 266.344 3.847 30 20 CHED N#Cc1c(Cl)nsc1N[C@H]1C[C@@H]1Cc1ccccc1 742411205 BGIQFLBXFKBPMF-JQWIXIFHSA-N 289.791 3.711 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccccc1C(=O)O 747755983 ZFERXOZXBHDPOM-NSHDSACASA-N 260.337 3.609 30 20 CHED Cc1cccc(OC(F)F)c1NCC1(CC#N)CC1 594701510 RCQXUFONRZEXIT-UHFFFAOYSA-N 266.291 3.702 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)C1CCCCC1 915915538 ARBMDHHZPIPJAO-UHFFFAOYSA-N 256.353 3.931 30 20 CHED CC[C@@H](C)C(C)=NNC(=S)Nc1ccc(C)cc1 915923224 HBROWZNLNRTLCO-LLVKDONJSA-N 263.410 3.703 30 20 CHED C=C(C)Cc1cccc(C(=O)OC)c1OCC1(CC#N)CC1 596288178 CPOZHYSJZGEPQJ-UHFFFAOYSA-N 299.370 3.664 30 20 CHED C[C@@H]1N(C(=O)NCCCCC#N)c2ccccc2C1(C)C 596264798 DHTLOMJIXXLZDI-ZDUSSCGKSA-N 285.391 3.576 30 20 CHED N#Cc1ccc(OCCSCCc2cccs2)cc1 749700342 XZUYSPFWRZSJGN-UHFFFAOYSA-N 289.425 3.974 30 20 CHED CCC(C[C@H](C)CC)=NNc1ccc([N+](=O)[O-])cn1 915968855 HASOIGFLEOCTTO-SNVBAGLBSA-N 264.329 3.604 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(F)cc1F)O2 915988748 FNLCTOSLXDDAIQ-RZNTYIFUSA-N 288.249 3.595 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1cn(C(C)C)nc1C 847690488 MEYIVPAXKCTPFX-HNNXBMFYSA-N 264.369 3.532 30 20 CHED C#Cc1cccc(N(CCC(C)(C)O)Cc2cccs2)c1 749842016 HEAAQMRNVAOZPH-UHFFFAOYSA-N 299.439 3.897 30 20 CHED N#Cc1ccc(NN=Cc2cc3cc(F)ccc3o2)cc1 741761108 JGHRBHBKOKUIBY-UHFFFAOYSA-N 279.274 3.890 30 20 CHED CCc1ccc(C=NNc2ccc(Cl)nc2)s1 743450158 MJZLYJLMQDLHOY-UHFFFAOYSA-N 265.769 3.805 30 20 CHED CCC(=NNc1ncc(Cl)cc1Cl)[C@H]1CCOC1 741836202 BKSIHCRLDRIGJI-QMMMGPOBSA-N 288.178 3.603 30 20 CHED CC(=NN=Cc1cc2cc(C)c(C)cc2o1)c1cnccn1 749814248 MQLXIQIYCJMANE-UHFFFAOYSA-N 292.342 3.683 30 20 CHED COCCC1(CNc2nc(C#N)ccc2C)CCCCC1 596199076 BPHCTRCSVHGQKI-UHFFFAOYSA-N 287.407 3.661 30 20 CHED CC#CCCCc1nc([C@@H](C)c2cccc(OC)c2)no1 685274637 VGEZUHBCGNPAJB-ZDUSSCGKSA-N 284.359 3.576 30 20 CHED Cc1ccncc1/C=C\C(=O)OCCC1(C#N)CCCCC1 840531580 FYOQASIXAQBLOG-WAYWQWQTSA-N 298.386 3.811 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2nccc3ccccc23)cc1 740760235 NRNBRVKSFNGWEB-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C=CC[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccncc1 921748643 YZPWKHXHBWCRQW-KSSFIOAISA-N 294.398 3.812 30 20 CHED Clc1cccc(CNN=Cc2c[nH]c3ccccc23)c1 756828055 VRGUUXMDXYTXRN-UHFFFAOYSA-N 283.762 3.945 30 20 CHED C[C@H]1CCC(=NNc2ccccn2)c2ccccc21 752723584 XJJGZVARWHQXCI-LBPRGKRZSA-N 251.333 3.795 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(CCC#N)C(C)C)cc1 755278884 GQQNIUSHDAVIMQ-CQSZACIVSA-N 272.392 3.964 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C1/CC[C@@H](C)C1 753610799 QDGCGBHXYCWDAT-QAALXFNPSA-N 285.387 3.614 30 20 CHED CC(CC(C)(C)C#N)=NNc1oc(C(C)(C)C)nc1C#N 853297544 HCRTUAHZYFKJDS-UHFFFAOYSA-N 287.367 3.571 30 20 CHED C=C[C@H](OC(=O)CCc1c(C)noc1C)c1ccccc1 851453957 VNQRMASDJONNIK-INIZCTEOSA-N 285.343 3.695 30 20 CHED COc1cc(C(C)=NO[C@H]2CCCCO2)ccc1SC 755820466 LYMWKPZQGHKOIK-HNNXBMFYSA-N 295.404 3.684 30 20 CHED CN(C(=O)/C=C/c1ccccc1)c1cc(Cl)ccc1C#N 751892610 IYDZRDSZSVLYON-JXMROGBWSA-N 296.757 3.888 30 20 CHED CC[C@@H](C)COC(=O)CCCCOc1cccc(C#N)c1 756409652 CPDUXDSHJXJNGU-CQSZACIVSA-N 289.375 3.697 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 926590385 BZDLEOVAEDTESU-SXXASDTRSA-N 285.431 3.719 30 20 CHED CC(C)(C#N)C[C@@H](O)CNC(C1CCCC1)C1CCCC1 856734383 RSOXOVWEPSRLFB-MRXNPFEDSA-N 292.467 3.626 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cccc(Cl)c1F 759646459 LDNAIKQCSNLRLW-UHFFFAOYSA-N 293.685 3.833 30 20 CHED N#Cc1csc(C(=O)OC[C@@H]2CCCc3ccccc32)c1 752177836 FWUFFSOUQFJDGC-AWEZNQCLSA-N 297.379 3.897 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)O[C@@H](C)CC(C)(C)C#N 851206255 PSWPNVWYYFDPFJ-YNEHKIRRSA-N 251.370 3.540 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 754368851 RUCRACMOLSUDTR-GRYCIOLGSA-N 296.197 3.625 30 20 CHED CCCCCCCC(=O)NCc1cccc(OC)c1 935887088 QPYTXRDIGXCQIR-UHFFFAOYSA-N 263.381 3.672 30 20 CHED COc1cccc(O)c1C=Nc1ccc2c(c1)CC(C)(C)O2 759116197 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ISUJJGDNHUUXTH-UHFFFAOYSA-N 275.701 3.728 30 20 CHED C#CCCCC(=O)Nc1cc(C(F)(F)F)c(F)cc1C 868530570 MKPQFVGUUDVWMS-UHFFFAOYSA-N 287.256 3.895 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](F)c1ccccc1 769367202 BWBWXZAATXIUAY-GOSISDBHSA-N 297.373 3.955 30 20 CHED CC#CCCOC(=O)[C@@H](OC1CCCC1)c1ccccc1 760294309 GWGAKQRBRRMWKH-KRWDZBQOSA-N 286.371 3.644 30 20 CHED C#CCCCNC(C)(C)Cc1ccc(Br)cc1 766923544 ZMDYABCWGAWZJK-UHFFFAOYSA-N 294.236 3.773 30 20 CHED C#CCCc1noc(CCc2ccc(Cl)cc2Cl)n1 762013935 MSZYYXIWFSJXJJ-UHFFFAOYSA-N 295.169 3.727 30 20 CHED C#CCCc1noc(C2(c3cccc(F)c3)CCCC2)n1 762001310 NPSOZSZXMQNABT-UHFFFAOYSA-N 284.334 3.635 30 20 CHED C[C@]1(C(=O)OC[C@@H](C#N)Cc2ccccc2)C[C@H]2CC[C@H]1C2 860592091 KEZPVEFHIVXUFH-ZMMAXQRCSA-N 297.398 3.738 30 20 CHED CCCc1ccc(C(=O)N(CCC#N)CC(C)C)s1 865027061 FRBSYSKPWCMRRZ-UHFFFAOYSA-N 278.421 3.712 30 20 CHED C#CCN(Cc1c[nH]nc1-c1ccc(C)o1)C1CCCCC1 769146443 YZRDDHGHJWNWSB-UHFFFAOYSA-N 297.402 3.746 30 20 CHED Cc1cccc2nc(NCC(C)(C)CCC#N)oc12 1117798824 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C=CCOc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)cc1 776372399 MUBSSRAEKOHMLF-KRWDZBQOSA-N 299.370 3.881 30 20 CHED CC(=NOC1CCCCC1)c1ccc2c(c1)OCCO2 777460393 WSXLBGFYVNLKSQ-UHFFFAOYSA-N 275.348 3.531 30 20 CHED N#CCc1ccc(COC(=O)CCCc2ccccc2)cc1 776111758 MYWJEHQTXBBZEF-UHFFFAOYSA-N 293.366 3.819 30 20 CHED C#CCCCCC(=O)Nc1ccnc(-c2ccccc2)c1 773365872 ZGDILCURQOBKMC-UHFFFAOYSA-N 278.355 3.881 30 20 CHED C#CCOc1cccc(NC(=O)N[C@@H](C)CCCC=C)c1 776001162 LZCRKVUYPLRGPH-AWEZNQCLSA-N 286.375 3.565 30 20 CHED COc1ccc2cc(/C=C\C(=O)OC[C@H](C)C#N)ccc2c1 770941677 ICWPNLOOOGIQSL-IBSXUBTNSA-N 295.338 3.564 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1F)c1ccc(C)cc1 1125685299 MLQCIMUSPLHVQY-KRWDZBQOSA-N 296.345 3.887 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccnc2Cl)cc1F 776728386 FHFQZMDDAWOOCJ-AATRIKPKSA-N 286.693 3.642 30 20 CHED CCCCCCCCc1nc(-c2cnc3cnccn23)no1 771543709 PGUPTEUTILXGEA-UHFFFAOYSA-N 299.378 3.682 30 20 CHED C(CCc1ccc2c(c1)CCO2)=NOCc1ccccc1 774369892 IQJNXAIGVORLAG-UHFFFAOYSA-N 281.355 3.757 30 20 CHED Cc1cc(C=NNCc2ccc(C#N)cc2)ccc1Cl 779781787 GEXDHYNCELDTPH-UHFFFAOYSA-N 283.762 3.644 30 20 CHED C#CCCCCCC(=O)Nc1cccc(-c2ccon2)c1 887104795 VLZSOFFJNXJFMA-UHFFFAOYSA-N 282.343 3.864 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc(F)cc1Cl 782287402 KQGZPRJRDSRVCP-ZDUSSCGKSA-N 268.763 3.981 30 20 CHED CCCCC[C@@H](C)CC(=O)[C@@H](C#N)c1ncc(Cl)n1C 1123337816 UVVOCGKAENXESV-VXGBXAGGSA-N 295.814 3.856 30 20 CHED CCCC(=NNc1ccc(OC)cn1)c1ccccc1 780274511 DSENMJZDZBFBAF-UHFFFAOYSA-N 269.348 3.707 30 20 CHED Cc1cc(C=NN[C@H]2CCCC2(C)C)c(C)s1 782287515 MCUROUQVRNLOTH-ZDUSSCGKSA-N 250.411 3.867 30 20 CHED CCC(=NNc1cc(Cl)nc(C)n1)c1cccc(F)c1 783520835 JIMSCMIHDDKZFS-UHFFFAOYSA-N 292.745 3.804 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)CCCc1ccsc1 783386153 VBVZYEYKMDTKRJ-UHFFFAOYSA-N 298.411 3.601 30 20 CHED CC(C)(C#N)CC(=O)OCc1cc2c(Cl)cccc2[nH]1 786446304 GYYSTDGATMDDTO-UHFFFAOYSA-N 290.750 3.804 30 20 CHED C#CCC1(C(=O)Oc2ccccc2F)CCCCC1 788423375 GROQEBKQJIZTAN-UHFFFAOYSA-N 260.308 3.705 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc2c(c1)C[C@H](C)O2 897107561 DCRSTWRUPGSOLT-RYUDHWBXSA-N 258.365 3.750 30 20 CHED C=C(C)CCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 1121187453 CZGCFJAXFLZWAW-INIZCTEOSA-N 297.402 3.973 30 20 CHED C=CCN(CC=C)Cc1cc(Br)ccc1OC 302813587 RJADPYBYAGOLPO-UHFFFAOYSA-N 296.208 3.632 30 20 CHED Cc1cc(C)c2cc(N[C@H]3CC[C@H](C#N)C3)ccc2n1 895879635 SUYRSBAUVAPXIK-KBPBESRZSA-N 265.360 3.956 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cnn(CC3CCC3)c2)s1 899365099 OLMFFGQHFRCNRZ-GQCTYLIASA-N 297.383 3.512 30 20 CHED C=C(Cl)CN[C@@H]1CCN(Cc2ccccc2)CC1(C)C 390898551 UHIAGIPEKGHJCX-MRXNPFEDSA-N 292.854 3.629 30 20 CHED CC(C)(C)c1ncc(CN(CCC#N)CC2CC2)s1 93091510 YGPZMFTVRXIRRG-UHFFFAOYSA-N 277.437 3.566 30 20 CHED C[C@@H](NCCC#N)c1cc(Cl)cc(Cl)c1F 701250806 MJGVXNXDIVSDKY-SSDOTTSWSA-N 261.127 3.697 30 20 CHED Cc1ccc(N(C)Cc2ccc(F)cc2C#N)cc1 728569423 HRFJTXSINBSDTH-UHFFFAOYSA-N 254.308 3.642 30 20 CHED CCc1cccc(F)c1C=NNc1ccccc1C(=O)O 794480825 AZEQDJMUZCGCRO-UHFFFAOYSA-N 286.306 3.532 30 20 CHED C=CCCC[C@@H](C)NCc1ccncc1Br 631107790 GTGDJVDHECPAHO-LLVKDONJSA-N 283.213 3.679 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ccccn1 796784437 UXBZBFSUTGWGBN-JJXSEGSLSA-N 282.387 3.864 30 20 CHED Cc1csc([C@@H](C#N)C(=O)Cc2coc3ccccc23)n1 796739903 VKZVRKYRUASYSH-ZDUSSCGKSA-N 296.351 3.617 30 20 CHED C=CC1(OC(=O)[C@@H](C)Cc2cncc3ccccc23)CC1 893359521 ZVKZCEQDMXKCRN-ZDUSSCGKSA-N 281.355 3.675 30 20 CHED C#CCN(CC#N)Cc1c(OC(C)C)ccc2ccccc12 799200784 LDZKFIQNJPQANI-UHFFFAOYSA-N 292.382 3.586 30 20 CHED Cc1ccc2c(C=NNc3ncccc3C)c[nH]c2c1 790192830 GKHQEKRFPPLQFK-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C(=NNc1cncnc1)c1ccc(-c2ccccc2)cc1 794977223 YBCXLJUDASPSNW-UHFFFAOYSA-N 274.327 3.590 30 20 CHED CC1(C)CC(C(=O)NCCCCC#N)CC(C)(C)C1 597149314 AEQAOCASFCRRJS-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCCCCC 797998220 CKTLRQBZALPJGH-OAGGEKHMSA-N 253.430 3.916 30 20 CHED N#Cc1cccc(-c2csc([C@H]3CCCOC3)n2)c1 87815596 KAOGQZGUXGSDBE-ZDUSSCGKSA-N 270.357 3.576 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCn2ccnc2C1 779194648 WOSXOHHPRFUNBA-GJZGRUSLSA-N 263.429 3.537 30 20 CHED Cc1cc(N2CCC[C@H](C(C)(C)C)C2)ncc1C#N 1307105408 NGYCDDBVHBQPKG-AWEZNQCLSA-N 257.381 3.524 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C 1312465724 WYWCDBWFNJLKBA-ABAIWWIYSA-N 292.810 3.752 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1311105821 QRGOBZPBFCDVKM-UHFFFAOYSA-N 297.333 3.751 30 20 CHED CCOc1ccc(NC(=O)CC#Cc2ccccc2)cc1F 1319654172 ACONFBREGYMTRV-UHFFFAOYSA-N 297.329 3.605 30 20 CHED N#Cc1ccnc(COc2ccccc2C(F)(F)F)c1 1656190485 JDMRYCQKBDFDED-UHFFFAOYSA-N 278.233 3.551 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1323228347 ZQCGNKGLFTYRQD-LLVKDONJSA-N 296.773 3.643 30 20 CHED CC#CCCCc1nnc(C(C)(C)c2ccccc2)o1 1327362503 BNWQJGCAPIJYSU-UHFFFAOYSA-N 268.360 3.742 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2cccc(F)c2F)o1 1320816780 MJPNPEVJXWWLNA-LLVKDONJSA-N 293.313 3.515 30 20 CHED Fc1cccc2c1CC[C@@H]2NN=Cc1cccn1C1CC1 1328090860 JOZKVDGZLAONMG-KRWDZBQOSA-N 283.350 3.573 30 20 CHED Cc1nsc(N[C@H]2CCC[C@@H](C(C)C)C2)c1C#N 1185298710 KYDXEBLGXPORHE-NEPJUHHUSA-N 263.410 3.950 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc(Cl)c1O 1337488991 PWLOGUDBMPUVRO-NSHDSACASA-N 279.767 3.616 30 20 CHED COc1cc(/C=C2\Cc3ccc(F)cc3C2=O)ccc1F 1335666819 QDELMXQJIVNEOX-WUXMJOGZSA-N 286.277 3.796 30 20 CHED CC1CCC(N(C)C(=O)Nc2sccc2C#N)CC1 1333225230 OSDZSBPJXSUFJI-UHFFFAOYSA-N 277.393 3.662 30 20 CHED N#Cc1ccc(-c2nnc(C3CC4(CCC4)C3)o2)cc1 1330102416 ZXJORPJUDSCAFJ-UHFFFAOYSA-N 265.316 3.656 30 20 CHED C=C(C)CCC(=O)NCCc1ccc(C(F)(F)F)cc1 1339482622 MCLALENMWLJURH-UHFFFAOYSA-N 285.309 3.720 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1-c1ncco1 1331921995 LHRQKUBVXRZUAU-UHFFFAOYSA-N 282.343 3.864 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2[nH]cc(C=O)c2c1 1336239353 XEIXQKQLODMQGQ-OAHLLOKOSA-N 296.370 3.551 30 20 CHED C[C@@H](c1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 1330099146 KQMJZNRQUFZSLU-SNVBAGLBSA-N 253.305 3.512 30 20 CHED COc1ccc([C@@H](C)OC(=O)c2cccc(C#N)c2C)cc1 1342599018 XPFWQGBIKCCSNN-CYBMUJFWSA-N 295.338 3.793 30 20 CHED CCCn1c(C)nnc1CSCCCCC(C)(C)C#N 1343771210 QFAULICCHUPKTB-UHFFFAOYSA-N 294.468 3.950 30 20 CHED C=C[C@H](COC)N[C@H](C)c1sc(C(C)(C)C)nc1C 1342734495 XVZKIXZGOXJDJI-ZYHUDNBSSA-N 282.453 3.601 30 20 CHED N#Cc1cc(-c2nc([C@@H]3CCCCS3)no2)cs1 1347936210 URWADDQMHWWPEU-JTQLQIEISA-N 277.374 3.628 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCC[C@H](C)CC1 1356019133 JQIKWJOKMBHDNP-STQMWFEESA-N 294.468 3.515 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)C[C@@H](C)c1ccco1 1525833013 JBKXHLVYWHRIIR-HUUCEWRRSA-N 297.354 3.542 30 20 CHED CCCCCCCCC(=O)N[C@]1(C)CCCC[C@H]1C(=O)O 1605267364 UPDRVQNVNZOXPN-WMLDXEAASA-N 297.439 3.887 30 20 CHED C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(C)CCCC 1539804727 ZNVAKJISKFXHPH-UHFFFAOYSA-N 298.862 3.856 30 20 CHED N#Cc1c(F)cccc1NCc1cccc(C(F)(F)F)n1 1472786807 VONXHMWTTMOCJM-UHFFFAOYSA-N 295.239 3.723 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1 226348375 ZTIFFSIKPFYFNP-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC(C)CCN1CCC(Nc2cc(F)cc(C#N)c2)CC1 1621479143 USRNIVTVQLTDTN-UHFFFAOYSA-N 289.398 3.620 30 20 CHED CC[C@H](NC(=O)Nc1cc(C#N)ccc1F)C1CCCC1 1625454692 CMONBWCOFYARCH-AWEZNQCLSA-N 289.354 3.788 30 20 CHED COc1ccc(SCCc2ccc(C#N)cc2)cc1 1559319743 YNSLXFICOKHODL-UHFFFAOYSA-N 269.369 3.902 30 20 CHED Cc1cc(C)c(/C=C\CN2CCC[C@H](C#N)C2)cc1C 1653090818 DUMMMWZBGKXHAI-XTKXOIQPSA-N 268.404 3.861 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C1 1657570932 MTGMKCMTWSDVDE-CQSZACIVSA-N 285.391 3.896 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccc2ncccc2c1 1653953128 KKSRALGTYZDSSG-UHFFFAOYSA-N 285.350 3.669 30 20 CHED C=CC[C@H]1CC[C@@H](Nc2cc(COC)cc(C(=O)O)c2)C1 1588770557 ASIXOPSQMHHLLD-SWLSCSKDSA-N 289.375 3.688 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)Nc1ccc(C#N)c(F)c1 1678225498 NUFIQXMXHKGYMG-LBPRGKRZSA-N 289.354 3.645 30 20 CHED C[C@@H]1Cc2ccccc2C(=O)/C1=C\c1csc(C(=O)O)c1 1776665894 IWVTVPMBLRJYTJ-QOUOVQQFSA-N 298.363 3.905 30 20 CHED O=C(O)Cc1cccc(/C=C2\CCc3ccsc3C2=O)c1 1777651151 PHWCGMNAIBVKEY-NTEUORMPSA-N 298.363 3.588 30 20 CHED C=C[C@@H](CC(=O)NC[C@H]1CC=CCC1)c1ccccc1 160703838 NEFTUXMJDVJGGI-HOTGVXAUSA-N 269.388 3.819 30 20 CHED C=CCc1cc(OC)cc(CN2Cc3ccccc3C2)c1O 164300344 WWTAOBLHZKVHAB-UHFFFAOYSA-N 295.382 3.645 30 20 CHED CCCCCCCS(=O)(=O)Cc1ccccc1C 151724747 HVDSAYXWDDGPFL-UHFFFAOYSA-N 268.422 3.880 30 20 CHED CCOc1cc(C)ccc1CNCc1ccc(C#N)cc1 153428086 PJGCGWPUBQOKOK-UHFFFAOYSA-N 280.371 3.555 30 20 CHED CSC[C@H]1CCCN1CC#Cc1cccc(Cl)c1 157252929 DQZXJMNNIXHBHS-OAHLLOKOSA-N 279.836 3.519 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 155852262 ZAUCRBNACBFMPV-ZWNOBZJWSA-N 285.309 3.890 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1c1ccccc1C 154887464 FWMNAJCZBQHICG-QGZVFWFLSA-N 284.403 3.645 30 20 CHED CC#CCCSCc1nc([C@@H](C)SCC)no1 154969950 LNJCEGOEGRDZPI-SNVBAGLBSA-N 270.423 3.530 30 20 CHED CCc1nnc(NC[C@@H](C)C(C)(C)C)c(C#N)c1CC 125384310 JRVMOHYLUFJCHF-LLVKDONJSA-N 274.412 3.567 30 20 CHED N#CCOc1cccc(NCc2ccccc2Cl)c1 37069472 PDCFWLRYXUGHMV-UHFFFAOYSA-N 272.735 3.854 30 20 CHED C[C@@H](Nc1ccc2c(c1)CCO2)c1ccc(C#N)cc1 37103827 NHSQVWMDUKARQO-GFCCVEGCSA-N 264.328 3.666 30 20 CHED C=C(C)COCCNc1ccc([N+](=O)[O-])cc1C(F)F 164001627 RXRSNJRWIDIYSO-UHFFFAOYSA-N 286.278 3.537 30 20 CHED Cc1cccc(C(=O)N[C@@H](C#N)C2CCCCC2)c1C 40360015 JGFLBDIFXNYMCC-INIZCTEOSA-N 270.376 3.506 30 20 CHED CC(C)(CCC#N)CNCc1nccc2ccccc12 174315112 AAPKVRMTHNCFRF-UHFFFAOYSA-N 267.376 3.654 30 20 CHED C=C(C)CCN[C@@H](C)c1cnn(Cc2ccccc2)c1 351979779 WTIAGWVUTUIPSN-HNNXBMFYSA-N 269.392 3.548 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1c(C)nn(CC)c1C 657869454 WUXCLIDXLODULK-NVXWUHKLSA-N 275.440 3.744 30 20 CHED C#C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(C)C 700581001 VEZNLCVLWQYBKI-LBPRGKRZSA-N 288.149 3.520 30 20 CHED C[C@@H]1CC(NCCc2cccc(C#N)c2)C[C@@H](C)C1 466424501 IFXVAPJDDJRLHU-KBPBESRZSA-N 256.393 3.515 30 20 CHED Cc1cc(NC[C@@H](C)COCc2ccccc2)cc(C#N)n1 308274553 CDXGDLGJSSCDQT-CQSZACIVSA-N 295.386 3.527 30 20 CHED COc1cc(C#N)ccc1OCCc1ccc(Cl)cc1 308533593 SCILNQNYDFCSRD-UHFFFAOYSA-N 287.746 3.842 30 20 CHED CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@H]2CCC[C@@H]21 404103191 XFMQIVASQWCSPU-HOCLYGCPSA-N 272.367 3.708 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC23CCC3)cc1F 404680254 JYULILFSGPMVGG-HNNXBMFYSA-N 258.340 3.510 30 20 CHED N#Cc1ccccc1CN1CCC(C2CCCC2)CC1 610370867 SBURZDSCJNVXHT-UHFFFAOYSA-N 268.404 3.960 30 20 CHED N#Cc1ccnc(N2CCCC23CCCCC3)c1Cl 580593630 DMJOPNBUYVORSP-UHFFFAOYSA-N 275.783 3.910 30 20 CHED Cc1cc(C#N)cc(C)c1OC[C@@H]1CCCC1(F)F 382097742 JRHKLMBCSZAVPG-ZDUSSCGKSA-N 265.303 3.989 30 20 CHED CCCCCCCCN1C[C@@H](C(=O)O)CC[C@@H]1C 397022510 IKQDUGNKBQGBEC-KBPBESRZSA-N 255.402 3.532 30 20 CHED CC1=C(Br)CN(c2cccc(F)c2C#N)CC1 797439803 XRSCMYUTMJZYFG-UHFFFAOYSA-N 295.155 3.576 30 20 CHED C[C@H](SCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 7210738 FBMKTMIVYVNOSD-ZDUSSCGKSA-N 296.395 3.991 30 20 CHED CCCCNC(=O)[C@H](C)S[C@H](C)c1ccc(C#N)cc1 118446482 XTEIYHZYJSIAMI-OLZOCXBDSA-N 290.432 3.657 30 20 CHED C=C(C)CN(CC)C(=S)Nc1cc(C)ccc1C 57740731 MRTILNRHTZCHCB-UHFFFAOYSA-N 262.422 3.898 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 57989456 DTPJEWXPALLLGK-CZUORRHYSA-N 299.370 3.711 30 20 CHED CC(C)CCNC(=O)Nc1cc(C#N)ccc1OC(C)C 54538223 SIGLZRCXLREWEE-UHFFFAOYSA-N 289.379 3.513 30 20 CHED Cc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)cc(C)c1O 58465495 PPGMEJXPHSYUPQ-AATRIKPKSA-N 284.359 3.683 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccn1C 108238275 YUVKFXYSRSEXQQ-GFCCVEGCSA-N 299.399 3.529 30 20 CHED CCCO[C@@H]1CCCN(c2c(F)cc(C#N)cc2F)CC1 108350775 PBHSCJWQRBUECY-CYBMUJFWSA-N 294.345 3.622 30 20 CHED CCc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1 58465425 XGMICFVZMFUBDK-MDZDMXLPSA-N 268.360 3.923 30 20 CHED N#Cc1csc(C(=O)N2CCCC3(CCCCC3)C2)c1 177475205 HYZGCTGWMINYEO-UHFFFAOYSA-N 288.416 3.806 30 20 CHED COc1ccc(OC(F)F)c(/C=C/C(=O)c2ccco2)c1 118960818 SNURHVBEMSBKSP-GQCTYLIASA-N 294.253 3.786 30 20 CHED Cc1c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)oc2ccccc12 116806148 PFASRAGWIMSBTH-SGTLLEGYSA-N 296.370 3.944 30 20 CHED C=CCCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 66509114 BYCAHUYOGUXJOI-UHFFFAOYSA-N 297.320 3.819 30 20 CHED CC[C@H](CSC)Nc1ccc(C#N)cc1Br 135521266 LNRQBWLSIVVNGI-SNVBAGLBSA-N 299.237 3.874 30 20 CHED CC1=CCC[C@H](C)[C@H]1CNc1ccc(OCC#N)cc1 1325775922 KQTYKPFSTVKWOU-YOEHRIQHSA-N 270.376 3.993 30 20 CHED CCOc1ccc(Oc2cc(C#N)ccc2[N+](=O)[O-])cc1 302214046 NUTIKBZIGAFURB-UHFFFAOYSA-N 284.271 3.657 30 20 CHED N#Cc1cccc(N(CC2CCCCC2)C2CC2)n1 301807281 AORFFRCFHABYIQ-UHFFFAOYSA-N 255.365 3.502 30 20 CHED C=CCOc1ccc(O[C@@H](C)C(=O)Nc2ccccc2)cc1 174235051 ZQKDAPKDESPDLR-AWEZNQCLSA-N 297.354 3.657 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H](C)c1ccccc1 179653874 WFEHTUXQCZNKMB-CQSZACIVSA-N 280.371 3.760 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3cc(F)ccc3o2)c1 117650619 KKBYFMJWWNYMRR-UHFFFAOYSA-N 293.297 3.830 30 20 CHED CC(C)Oc1ccc(CCNCc2ccc(C#N)cc2)cc1 69674654 MYYVMFFCYGHRKB-UHFFFAOYSA-N 294.398 3.678 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C 172576893 PKAMNBQJUIDLOL-DLBZAZTESA-N 290.366 3.917 30 20 CHED CCCC(O)(CCC)CNc1c(C#N)cnc2ccccc12 301393740 JQNRIAPBKJXOOT-UHFFFAOYSA-N 297.402 3.850 30 20 CHED CCN(Cc1cncs1)[C@@H](C)c1ccc(C#N)cc1 119852646 KZUUHQZVWWWFEE-LBPRGKRZSA-N 271.389 3.598 30 20 CHED C=CC1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)CC1 176439967 NMLOQPSFYDTDQJ-SNVBAGLBSA-N 283.824 3.930 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@@H]2Cc2ccccc2)cn1 301495076 BDMODSYOSMMUHR-QAPCUYQASA-N 277.371 3.777 30 20 CHED Oc1ccccc1/C=N/Cc1nc2ccccc2s1 60805156 GNIYWDSNDHNVIF-CXUHLZMHSA-N 268.341 3.621 30 20 CHED N#Cc1ccncc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 354560435 MOMGVBCCKSOHII-ZYHUDNBSSA-N 283.297 3.734 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2)o1 122485212 NBDLJXSKWVVQQQ-AWEZNQCLSA-N 298.342 3.740 30 20 CHED CN(Cc1ccc(C#N)cc1)c1cc(Cl)ccc1C#N 301167547 FGALKMJDFJVHGO-UHFFFAOYSA-N 281.746 3.720 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)c1ccccc1Cl 69343800 NRWAMUMZCQJNQR-OLZOCXBDSA-N 295.810 3.841 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc(-c2nc(C)cs2)c1 123127732 NLEOPUCBGOQPFY-NSHDSACASA-N 286.400 3.813 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC(C)C)C1CC1 181087545 KVSBSFZISVTFJK-ZDUSSCGKSA-N 252.402 3.561 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 127170395 PKNXFODCIDAXFV-GBIKHYSHSA-N 296.773 3.599 30 20 CHED CC[C@H](CC#N)NCc1c(Cl)cccc1N1CCCC1 184082583 GZQGJKSSNCENFN-CYBMUJFWSA-N 291.826 3.722 30 20 CHED C=CCn1c(S[C@@H](C)c2cnccn2)nc2ccccc21 185146482 KOOLVLDIYSQJPS-LBPRGKRZSA-N 296.399 3.866 30 20 CHED C=CCCCCCN(C)C(=O)/C=C/c1scnc1C 186555492 AMXBGIHDJGNOBC-MDZDMXLPSA-N 278.421 3.670 30 20 CHED N#Cc1ccc(CN2CCC(OC3CCCC3)CC2)s1 127105280 AVJFHDBSOSVELO-UHFFFAOYSA-N 290.432 3.543 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)c1ccccc1 183283721 VISPIADHFHIBBA-MLGOLLRUSA-N 298.773 3.825 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2sccc2C#N)c1 121715201 UCDIESVGNQSMGS-NSHDSACASA-N 271.341 3.846 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(CC)c(C)s1 410147159 IGPUPHKYQFNGOG-GFCCVEGCSA-N 251.395 3.703 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C 416196472 WUMIEEKXGGIWCI-WBVHZDCISA-N 288.435 3.540 30 20 CHED Cc1nc(CN(C)CCC2(C#N)CCCCC2)cs1 411193877 FVKYVNPWGOSBRK-UHFFFAOYSA-N 277.437 3.748 30 20 CHED CC(C)Oc1ccc(NCc2ccc(C#N)s2)cc1C#N 181530731 HXGXHKBVZQISQF-UHFFFAOYSA-N 297.383 3.891 30 20 CHED CC[C@H](C#N)Sc1nnc2cc(C)c3ccccc3n12 127104133 LDYYPHMFJLRUGF-LLVKDONJSA-N 282.372 3.585 30 20 CHED CC#CCCCC(=O)NC(C)(C)c1ccc(F)c(F)c1 185988280 LYXNHNFKCNVMSK-UHFFFAOYSA-N 279.330 3.510 30 20 CHED C[C@H]1Cc2ccccc2N1C(=O)c1cc(C#N)ccc1Cl 505964957 FYSRICJJYNSLFY-NSHDSACASA-N 296.757 3.803 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 916609505 PEQZSZUMNFMMCN-SNVBAGLBSA-N 289.158 3.711 30 20 CHED CC#CCCCC(=O)NCCCc1ccc(Cl)cc1 185366106 AKVORTSEZCOQHL-UHFFFAOYSA-N 277.795 3.582 30 20 CHED CC(C)(C)c1nc(CN(CC#N)C2CCCC2)cs1 156735143 ZEGCMMFUHFLTRT-UHFFFAOYSA-N 277.437 3.709 30 20 CHED CC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 74917150 PPPDYNMOWVELFZ-XJKSGUPXSA-N 285.391 3.593 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)CC1 443153355 CQPALFWQVVTDCG-GXTWGEPZSA-N 271.364 3.649 30 20 CHED C#CCN(C(=O)Nc1cc(Cl)ccc1Cl)C1CC1 491440682 QOQWYGLZXHYKCT-UHFFFAOYSA-N 283.158 3.623 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C[C@@H]2C=CCC2)cc1 78385155 NLLJRRYSSGAJEM-OAHLLOKOSA-N 298.386 3.688 30 20 CHED N#CCc1cccc(NCc2cccc3cccnc23)c1 313434578 HVYJMJATNMUDSN-UHFFFAOYSA-N 273.339 3.913 30 20 CHED N#Cc1ccc(Oc2ncnc3c2CCCC3)c(Cl)c1 129112191 VTIDFVKASPBMKL-UHFFFAOYSA-N 285.734 3.673 30 20 CHED CC[C@H](CN[C@@H]1CCC[C@H](C#N)C1)Oc1ccccc1F 185853709 JURGUKTUHORNQD-RRFJBIMHSA-N 290.382 3.655 30 20 CHED N#CCCN(Cc1ccc(-c2ncco2)cc1F)CC1CC1 411303742 GZUJDIMITSRFFP-UHFFFAOYSA-N 299.349 3.606 30 20 CHED C=CCC(C)(C)C(=O)NCCCOc1cccc(C)c1C 508735312 SQHVLYITQJHIAA-UHFFFAOYSA-N 289.419 3.791 30 20 CHED N#CC1(COc2cccc(OC(F)(F)F)c2)CCC1 418958271 GDNLQLCSXQUVSO-UHFFFAOYSA-N 271.238 3.658 30 20 CHED C=CCC[C@H](CCC)NCc1ccnc(N2CCCC2)c1 131530365 UZAQBPQIUWVGAC-KRWDZBQOSA-N 287.451 3.906 30 20 CHED C=C(C)CN1CCC(NC[C@@H]2C(C)=CCC[C@@H]2C)CC1 134166468 BYGFQHGMGDOZPS-FUHWJXTLSA-N 276.468 3.609 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccc(Br)c(F)c1 411638189 ZPJUWOGBWBIEHW-SNVBAGLBSA-N 299.187 3.712 30 20 CHED CC(C)N(Cc1ccccn1)Cc1ccc(C#N)cc1F 48273284 BNRHUBZLRJGYIP-UHFFFAOYSA-N 283.350 3.503 30 20 CHED C=CCSCCNC(=O)Nc1cccc2ccsc12 501221331 BVDAIFSGFDWAQR-UHFFFAOYSA-N 292.429 3.942 30 20 CHED O/C(CCC1CCOCC1)=N/[C@@H]1CCc2c(O)cccc21 329805318 KPEWKDFOTYGBOK-OAHLLOKOSA-N 289.375 3.543 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Sc1ccccc1 410129378 YTUHMGJVPGGDDP-STQMWFEESA-N 263.406 3.638 30 20 CHED CC1(C)CN(CCC2(C#N)CCCCC2)[C@@H]1[C@@H]1CCCO1 411752938 OSTQWQCSQMIYEA-JKSUJKDBSA-N 290.451 3.740 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H](OC)C(C)(C)C)c1ccccc1 137115332 BHBPRCLGIRGATC-GOEBONIOSA-N 289.419 3.524 30 20 CHED C#CCCCC(=O)N(C)[C@@H](C)c1ccccc1Cl 192139931 ROXCRLWBMCZCLV-LBPRGKRZSA-N 263.768 3.663 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)c(F)c2)cc1C 191991008 ROHSOKMRFICWNF-UHFFFAOYSA-N 298.361 3.646 30 20 CHED CC(C)(C)CN(CCC#N)CCOc1ccccc1Cl 609540049 KXYJMDDUKQKUNS-UHFFFAOYSA-N 294.826 3.981 30 20 CHED N#Cc1ccc(OCc2coc(-c3ccccc3)n2)c(F)c1 134292181 JTXMDCRIQRKXKE-UHFFFAOYSA-N 294.285 3.931 30 20 CHED CN(Cc1ccc(Cl)s1)c1ccc(C#N)cc1 42227480 STHZTEPWOAKITH-UHFFFAOYSA-N 262.765 3.910 30 20 CHED COCc1ncc(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)s1 329195088 UALMTQGDUPPJAH-SDDRHHMPSA-N 294.420 3.563 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2nc3ccsc3s2)CCC1=O 329002843 WMELAFQTBMNUTJ-JGVFFNPUSA-N 294.401 3.951 30 20 CHED C=C(C)COC(=O)Cc1csc(-c2cccs2)n1 194485751 DVDNYOPUCDLEIE-UHFFFAOYSA-N 279.386 3.533 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1ccc(C#N)cc1 289490918 KZDOGMOUJJRUMB-GFCCVEGCSA-N 259.353 3.601 30 20 CHED C[C@H](Nc1ncc(Cl)s1)c1ccc(C#N)cc1 613180226 LZGQRKOMLACEKO-QMMMGPOBSA-N 263.753 3.841 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 192056994 KIEYVKMXJHUTAL-UGSOOPFHSA-N 280.346 3.890 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cc(C3CC3)ccn2)CCC1=O 329663552 PDZPAIWRWLNPDL-GWCFXTLKSA-N 272.348 3.552 30 20 CHED N#Cc1cccc(Cn2cc(-c3ccccc3)cn2)c1F 223549518 WPTATTIEGZYAJF-UHFFFAOYSA-N 277.302 3.609 30 20 CHED CC[C@@]1(C)CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 426142212 YVKMUFYOSSAQIM-HNNXBMFYSA-N 291.782 3.866 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 424325431 KTQZQIAEYQDUJU-DXEWXGHRSA-N 272.367 3.744 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)[C@H]2CCCC[C@H]12 332240300 ITPJCPMHFOZAOQ-XYPHTWIQSA-N 297.402 3.795 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ncc(C(C)(C)C)o1 193851592 AJBKLMGEGYBJCK-ZDUSSCGKSA-N 292.423 3.766 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1Nc1ccc(C#N)cn1 80231401 KVNNGZRRSLMAIY-DIFFPNOSSA-N 281.334 3.828 30 20 CHED CC[C@H](C#N)OC(=O)c1sc2cccc(F)c2c1C 84714158 ARDJVMRAPFGRBW-SECBINFHSA-N 277.320 3.808 30 20 CHED C#CCCCC(=O)Nc1ccc(OCCC)cc1C 192085715 XJWKZMACMCAOAF-UHFFFAOYSA-N 259.349 3.526 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CC1CCCCC1 195745444 HBUOKZRXGHDGCJ-NVXWUHKLSA-N 293.451 3.929 30 20 CHED C=CCN(CCc1ccco1)Cc1nc(CCC)cs1 426359014 BXHKCRMXXAZWFV-UHFFFAOYSA-N 290.432 3.919 30 20 CHED CCCCn1ncc(N/C(O)=N/[C@H](C)C2CCCC2)c1C 331333831 TUBBMDAYYVDOKK-GFCCVEGCSA-N 292.427 3.896 30 20 CHED CC(C)(C)c1csc(NC(=O)c2ccoc2)c1C#N 334830477 RNXAWTFDRYLKSY-UHFFFAOYSA-N 274.345 3.763 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 334967345 KBMNGAMBIRXHHN-PWSUYJOCSA-N 291.782 3.716 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(F)c1F 426200505 XMQOUAVFAPSKCP-NEPJUHHUSA-N 294.345 3.776 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(N3CCCC3)c2c1 338397385 DVJNUMRMRJHCFV-UHFFFAOYSA-N 271.751 3.669 30 20 CHED N#CCN(Cc1ccc(OCC(F)F)cc1)C1CCCC1 93563169 RQUZEPJQCLHRBT-UHFFFAOYSA-N 294.345 3.599 30 20 CHED C[C@H](c1ccc(Cl)c(Cl)c1)N1CC(C)(C#N)C1 515178463 RBODSDYELOPISI-SECBINFHSA-N 269.175 3.900 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1sccc1C1CC1 432999942 NGXPAQGDHBUREM-HNNXBMFYSA-N 276.405 3.684 30 20 CHED Cc1nc(C)c([C@H](C)N(C)Cc2cc(C#N)cs2)s1 93275712 VGNZKIHINRVPTI-JTQLQIEISA-N 291.445 3.886 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1 98008623 OMFKFFBOWILOKR-BAQGIRSFSA-N 299.276 3.763 30 20 CHED C=CCOc1ccc(CNCc2ccc(F)c(C)c2)cc1 96996349 MSIBFPYIJMJUGO-UHFFFAOYSA-N 285.362 3.989 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCCC(C)(C)C 437911283 AXMVWKRGPQCNLN-ZDUSSCGKSA-N 271.470 3.969 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(C)cc(F)c1 432201665 FZUCNAKJXPRRDF-UHFFFAOYSA-N 285.318 3.951 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 246691567 ZPFUWBGHHUZSMD-GUYCJALGSA-N 298.411 3.582 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)N[C@H](CCC#N)c1ccccc1 438845733 DJLVRROVKAGRJO-USXIJHARSA-N 299.418 3.861 30 20 CHED N#Cc1cccnc1N[C@H]1CCSc2ccc(F)cc21 247642415 IDEGXMVGHXRNCA-ZDUSSCGKSA-N 285.347 3.741 30 20 CHED N#Cc1c(F)cccc1OCc1ccc(C(F)(F)F)cn1 340602528 ORVRDHYTCOCRIT-UHFFFAOYSA-N 296.223 3.690 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)Cc2cccc(C)c2)c1 347402998 IFOQOSZPLGBGRM-UHFFFAOYSA-N 278.355 3.706 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](C)c1nc2ccccc2s1 246027267 OYSOAEBEPCAOGD-STQMWFEESA-N 290.432 3.616 30 20 CHED CCOc1cc(NC(=O)c2cccc(F)c2C#N)ccc1C 342473457 KZHYFKVEMKVYRZ-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CC[C@]1(C)CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 438850722 NBLXXJVTAXJHRU-FUHWJXTLSA-N 299.418 3.863 30 20 CHED Cc1nn(CCC#N)c(C)c1SCc1ccccc1 601930822 JHLHZGWGKUPTQR-UHFFFAOYSA-N 271.389 3.706 30 20 CHED CC[C@@H](NC[C@@H](C)CCC#N)c1ccc(OC)cc1 602504248 OEJKCHYABJRBRL-XJKSGUPXSA-N 260.381 3.676 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H]1C[C@H]1CC)c1ccccc1 438104731 YKRFVPHEBGKEMP-FVQBIDKESA-N 257.377 3.651 30 20 CHED C=CCC(C)(C)C(=O)N(CC)Cc1ccccc1C 431863546 FXJOYVZCWGUVNS-UHFFFAOYSA-N 259.393 3.946 30 20 CHED C=CCCN1CCc2c(ccc(Cl)c2Cl)C1 525328361 RAPAFVVPAJYPES-UHFFFAOYSA-N 256.176 3.928 30 20 CHED Cc1ccc(NCc2nnc(-c3cccc(C#N)c3)o2)cc1 349386457 ZDJGYSHFEBFRQC-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CSc1ccc([C@@H](C)NC[C@H](C)CCC#N)cc1 602655315 JQRJVXAAXPQZTD-CHWSQXEVSA-N 262.422 3.999 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 606506541 KTKSQHVZAUGZEY-BHYGNILZSA-N 286.419 3.662 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC=C(c2ccc(C)nc2)CC1 344398223 NUKQBBSYBBVYBR-AWEZNQCLSA-N 284.403 3.608 30 20 CHED CC#CCN(CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 607727964 LQHPYSYWDWJCHA-CYBMUJFWSA-N 299.336 3.738 30 20 CHED COc1cccc([C@H]2CN(CCCCC#N)CC2(C)C)c1 528626744 RERHWNHSDUJOAL-QGZVFWFLSA-N 286.419 3.814 30 20 CHED COc1cccc(/C=C2/Cc3ccc(OC)cc3C2=O)c1 255075772 NHCVSHIUYOUZOA-ZSOIEALJSA-N 280.323 3.526 30 20 CHED CN(C/C=C\c1ccc(F)cc1)Cc1cccc(C#N)c1 255755400 MWECMQZZELDIHK-UTCJRWHESA-N 280.346 3.843 30 20 CHED C[C@H](CC(=O)N(CC#N)c1ccccc1)C(C)(C)C 342697340 LLOWGIFSPDZEHM-CYBMUJFWSA-N 258.365 3.615 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C(C)=O)cc1F 347165734 ZQBSNWRVHVLMGQ-LLVKDONJSA-N 277.339 3.503 30 20 CHED CC1(C)CCC/C(=C\c2cc(F)c(O)c(F)c2)C1=O 255358311 SOXIMWLDQYBFDQ-UXBLZVDNSA-N 266.287 3.833 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3cccs3)cnc12 255630314 VKZBYKDSWAGGSA-SREVYHEPSA-N 268.341 3.600 30 20 CHED CC(C)CCN(CCC#N)Cc1ncc(Cl)s1 352011979 XDBNEPXQOSTHHK-UHFFFAOYSA-N 271.817 3.558 30 20 CHED C(=NOCCCOc1ccccc1)c1cccs1 255075738 GPHVIPDEBVJECH-UHFFFAOYSA-N 261.346 3.568 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC(C(C)C)C(C)C 446123139 QXGWWSLACWKDON-UHFFFAOYSA-N 287.407 3.916 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@@H](C)CC(C)(C)C 604545208 HNYSYVFHMGNSQR-CZUORRHYSA-N 266.429 3.893 30 20 CHED C[C@](C#N)(NC(=O)CCc1ccsc1)C1CCCCC1 609637989 IUOWOXCILOKLLF-MRXNPFEDSA-N 290.432 3.659 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(OC)cc1 537185673 NNNFVOUPSLCRJM-KGLIPLIRSA-N 290.407 3.800 30 20 CHED C=CC(C)(C)CNC1CCN([C@@H]2CCC[C@H](C)C2)CC1 449487352 YHKFGXYEKLOQDP-DOTOQJQBSA-N 278.484 3.831 30 20 CHED CCN(C(=O)Nc1ccc(F)cc1C#N)[C@H](C)C(C)C 267562790 FQYQRRNFWQUVPM-LLVKDONJSA-N 277.343 3.596 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CN[C@H](C)CC1(C#N)CCOCC1 602643949 IVIZPXXSWYCLKP-NCOADZHNSA-N 292.467 3.747 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC1CC(F)(F)C1 449096642 JGIOBPNPCLYJJK-UHFFFAOYSA-N 285.359 3.698 30 20 CHED CSc1ccc(N(C)Cc2ccc(C#N)o2)cc1 355360332 DQTHCHLOLLIQNV-UHFFFAOYSA-N 258.346 3.510 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccc(-c3ccncc3)cc2)C1 442790134 ZLAQBRINLGJEFX-CRAIPNDOSA-N 277.371 3.530 30 20 CHED COc1cc(CN(CC2CCC2)CC2CC2)ccc1C#N 443071571 TTYCBFCWIAZJLT-UHFFFAOYSA-N 284.403 3.579 30 20 CHED C=C[C@H](C)NC(=O)c1oc2ccccc2c1CSC 610689079 HQHXXAAAEFJQFB-JTQLQIEISA-N 275.373 3.600 30 20 CHED C=CCn1c(CCCC)nnc1N(C)[C@H](C)c1ccco1 350622440 ADAQRRDGZJOYFG-CYBMUJFWSA-N 288.395 3.597 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2Cc3ccccc3C2)n1 613422803 CBOSKIZKSPCXEP-UHFFFAOYSA-N 277.371 3.771 30 20 CHED Cc1cnc([C@H](C)Nc2cccc(OCCCC#N)c2)o1 356313275 QPCBGIAXVDLIKG-ZDUSSCGKSA-N 285.347 3.839 30 20 CHED C=C(CC)CSCC(=O)N1CCCc2ccccc21 536882864 WWMQUXRBKBRVHP-UHFFFAOYSA-N 275.417 3.665 30 20 CHED C[C@H]1CCN(Cc2cc(C#N)n(C)c2)c2ccccc2S1 356312448 CPRBMBDSYIQKLU-ZDUSSCGKSA-N 297.427 3.788 30 20 CHED C=CC[C@H](CO)CNC(=O)[C@@H](CC1CCCCC1)C(C)C 537119515 QWZRFUMERCYADY-IRXDYDNUSA-N 295.467 3.530 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc2cc(C)ccc2o1 618473526 XQJNCJMVFAGQJK-UHFFFAOYSA-N 271.360 3.960 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@H]1CCc2ccccc21 610901243 PQHCTDQEWOJRDO-HNNXBMFYSA-N 290.366 3.925 30 20 CHED CC1(C#N)CCC(NC2(Cc3ccc(F)cc3)CC2)CC1 453344970 JQGHKEYQGHWFJO-UHFFFAOYSA-N 286.394 3.963 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(C)c(O)c1)c1ccccc1 535443043 ZLPQCVRYOACVHP-AWEZNQCLSA-N 281.355 3.999 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618827680 MPKZXFQCANVQKZ-DYVFJYSZSA-N 297.402 3.590 30 20 CHED C=CCC[C@H](O)CN(CCC)Cc1ccc(C)cc1 531614270 VCWXOIFRBHLYES-KRWDZBQOSA-N 261.409 3.534 30 20 CHED C[C@@H](C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 610223342 QWLYRBDYPXMLES-LLVKDONJSA-N 284.746 3.954 30 20 CHED CCSCc1ccc(NC(=O)NCCCCC#N)cc1 455850451 BSHVJZVIUMIQBS-UHFFFAOYSA-N 291.420 3.755 30 20 CHED CC(C)[C@H]1N(C(=O)NCC(C)(C)C#N)CC12CCCCC2 458646437 KBYQTNLBIIDWBY-CQSZACIVSA-N 291.439 3.536 30 20 CHED C[C@H]1CCC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 619748315 HRUOSLAYRMLHPP-SMDDNHRTSA-N 262.784 3.880 30 20 CHED CC(C)Oc1ccc(CCN[C@H]2CCC[C@H](C#N)C2)cc1 613255301 XDHBCFUVRYJEFA-IRXDYDNUSA-N 286.419 3.688 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ccc(C#N)c(C#N)c1 361712065 ODCPFNLXXLCAGV-INIZCTEOSA-N 269.348 3.585 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCOc2c(F)ccc(F)c21 361190383 PAQHJOJBNJFMIM-MJVIPROJSA-N 281.346 3.979 30 20 CHED C=CC(C)(C)CNC(=O)N(CC)[C@@H](C)Cc1ccsc1 458986758 KXBRRATZCVLPEF-ZDUSSCGKSA-N 294.464 3.923 30 20 CHED CC[C@H](C)CCCCC(=O)N[C@@H](C#N)C(C)(C)C 612047632 NECIOCBDOJXQQY-STQMWFEESA-N 252.402 3.647 30 20 CHED C=C[C@@H]1OCC[C@H]1NCCCOc1ccc2ccccc2c1 451607901 QYKBLFNTRFZOMJ-MOPGFXCFSA-N 297.398 3.542 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1C1CCCCC1 455316233 VQWVNNCIBBMKIE-HNNXBMFYSA-N 264.413 3.707 30 20 CHED C=CCCCC(=O)N1CCCc2c(F)cc(F)cc21 360129010 BKCXDXZAFZEHHD-UHFFFAOYSA-N 265.303 3.600 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2ccc(C)nc2)cn1 452143759 CHGALZWTWFZMNN-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)NCc2ccc(C#N)c(Cl)c2)C1 619767064 QIVQDBVNZIEXBG-VXGBXAGGSA-N 290.794 3.654 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)C(C)C)cc1 455827233 VPMUHWLZQMFBMH-UHFFFAOYSA-N 288.391 3.955 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(/C=C\C)cc1 360315218 CRJHATXDQUGFGP-SCXUMTSISA-N 259.349 3.639 30 20 CHED C#CCCCCC(=O)N(C)c1ccc(SC)cc1 271398620 HPHOAVYVNXDBKV-UHFFFAOYSA-N 261.390 3.565 30 20 CHED CC[C@@H](N[C@H](C)CCC#N)c1ccc(F)cc1F 278526718 DHRDMDSUYLJFBQ-QMTHXVAHSA-N 252.308 3.698 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H]3CF)c2c1 549254056 OHDPWLCIHWLNIM-AWEZNQCLSA-N 283.350 3.662 30 20 CHED C=C(C)CCN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 277109887 VLCRSUGWGSNWIJ-CABCVRRESA-N 265.784 3.726 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CC(F)(F)F)CCCCC1 450643988 CHIFEEGKEQTTDG-NSHDSACASA-N 277.330 3.970 30 20 CHED Cc1ccc(Cc2noc(-c3cccc(CC#N)c3)n2)cc1 545007417 UCZHKZWRRYEWQS-UHFFFAOYSA-N 289.338 3.702 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 542545650 WRIIAVYNUFQKBC-HBYGRHMLSA-N 290.794 3.766 30 20 CHED C=CCC[C@@H](NCc1ccc(OCC)c(OC)c1)C1CC1 540193113 WXGGWRFWRYHPAJ-MRXNPFEDSA-N 289.419 3.928 30 20 CHED CN(C(=O)[C@H](C#N)CCc1ccccc1)c1ccc(F)cc1 540514365 LVKSLWLVAWTOBH-HNNXBMFYSA-N 296.345 3.561 30 20 CHED C[C@@H](NCCCCC#N)c1nc(C(F)(F)F)cs1 274557308 FJKTVEPEFWLIJA-MRVPVSSYSA-N 277.315 3.506 30 20 CHED CC(C)C[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 279567293 YGYQQSIDZCGMQX-OAHLLOKOSA-N 285.435 3.551 30 20 CHED N#Cc1c(F)cccc1Nc1ccc([C@H]2CCOC2)cc1 549639549 MXHDCBCBAGSXCW-ZDUSSCGKSA-N 282.318 3.945 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 461770511 WJNLUGFXKZUUBI-HUUCEWRRSA-N 286.419 3.993 30 20 CHED CC#CC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 283132326 IFPOHQMNPRPKEK-OAHLLOKOSA-N 275.779 3.807 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)[C@H](C)c1ccccc1 289811289 VRCOBTZEHOVTIS-CYBMUJFWSA-N 282.391 3.539 30 20 CHED C=C[C@@](C)(CC)C(=O)N1C[C@H](C)Cc2ccccc21 468001536 VBZCKRHCKMQAHV-DYVFJYSZSA-N 257.377 3.814 30 20 CHED C=CCC(C)(C)c1noc([C@H]2Cc3ccccc3O2)n1 551136249 PZTRGYSWQHPNDN-CYBMUJFWSA-N 270.332 3.600 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](CC)c1ccc(F)cc1 466540427 OJCIVKTVWSOSKU-HUUCEWRRSA-N 263.356 3.790 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1ccccc1C(F)(F)F 631343612 FSNGZZYBKBGKMW-LLVKDONJSA-N 285.309 3.719 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(Oc2ccccc2)cn1 558651330 LADYKHKSFGJQNC-CYBMUJFWSA-N 282.343 3.568 30 20 CHED CC(C)[C@H](C#N)NC(=O)CCc1ccc(-c2ccccc2)o1 463837697 UJPCWPDSBDSISM-INIZCTEOSA-N 296.370 3.544 30 20 CHED C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)CCC 460564551 GCBVQGCIYLBXTA-CQSZACIVSA-N 299.422 3.541 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 462911765 HZABYYDALKXKKZ-YRGRVCCFSA-N 285.347 3.847 30 20 CHED C=CCC(C)(C)CN[C@@H](COC)c1ccc(F)c(F)c1 556217016 LFKKLKUUGKNVNV-HNNXBMFYSA-N 283.362 3.844 30 20 CHED C=CCC[C@H](CC)NCCc1cc(C(F)(F)F)ccn1 559894061 QRVONNNXJCUIRX-ZDUSSCGKSA-N 286.341 3.977 30 20 CHED CC(C)[C@H]1/C(=C/c2cn(C(C)C)nn2)C(=O)c2ccccc21 287297110 SQZCUFKMRFXRHL-VHEJECIDSA-N 295.386 3.879 30 20 CHED CC(C)[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2ccccc21 470423115 XEHZMXCHISNBHC-QGZVFWFLSA-N 290.366 3.958 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 476897015 UIZARNFFSPPXKW-ZWKOTPCHSA-N 298.430 3.969 30 20 CHED N#Cc1ccccc1CNc1ccc(OC(F)F)cc1F 800877175 BGKNLXZWDUCOBE-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(OCC)ccc1OCC 297891414 QVUXVQWTOAKZCM-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C=CCC(C)(C)c1noc(COCCCCC)n1 556362150 KZGVIRKXMVKHMW-UHFFFAOYSA-N 252.358 3.630 30 20 CHED Cc1ccc(Nc2nc(CN(CC#N)C3CC3)cs2)cc1 299521647 IDMGMNCDTVTMIV-UHFFFAOYSA-N 298.415 3.683 30 20 CHED N#C[C@@H]1CC[C@H](Sc2cc3c(cc2Cl)OCCO3)C1 295861157 BYJZVRLCSQNSNN-ZJUUUORDSA-N 295.791 3.896 30 20 CHED Cc1cc(OC(=O)CCCOC(C)C)c(C)c(C)c1C#N 809036695 SDOILCFGHKZHQA-UHFFFAOYSA-N 289.375 3.594 30 20 CHED CSC1(C=NNc2cccc(C(F)(F)F)n2)CCC1 800812821 MFBJGDOZNUFJDQ-UHFFFAOYSA-N 289.326 3.784 30 20 CHED C=C(C)CCc1noc([C@H](C)OCCc2ccccc2)n1 296249837 BDLFYJTZFIRUHP-AWEZNQCLSA-N 286.375 3.899 30 20 CHED CC(C)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 474936556 WWLNCKSHVCNKGG-OIISXLGYSA-N 256.393 3.708 30 20 CHED C=CCCCC(=O)NC[C@H]1CCCN1CC1CCCCC1 479641152 JXNJVFGUIGNMBE-QGZVFWFLSA-N 292.467 3.504 30 20 CHED C=CCC[C@H](C)N[C@H](CO)c1c(Cl)cccc1Cl 475638095 OCGALABPJJABOG-GXFFZTMASA-N 288.218 3.971 30 20 CHED C=CCCCCCNC(=O)N(C)[C@H]1CC[C@@H](C)C1 568187938 SDRCXNOXSWXCSB-KGLIPLIRSA-N 252.402 3.563 30 20 CHED FCCC[C@@H]1CCCC1=NNc1nncc2ccccc12 800805390 WYIHUSSCSAPADF-LBPRGKRZSA-N 286.354 3.948 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccccc1SC 295859747 DUKSPTXYWLUEBN-NSHDSACASA-N 263.406 3.798 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N[C@H](C#N)C(C)(C)C 563719379 XHOKOFFJEQZXRK-GOEBONIOSA-N 286.419 3.700 30 20 CHED CC1(C)CC[C@@H]1/N=C/c1cc2ccccc2nc1O 804598914 ROLVCLKYGVEYCZ-FBJMNJBLSA-N 254.333 3.548 30 20 CHED COc1ccc([C@H]2CCCN2c2ccc(C#N)c(C)n2)cc1 291648897 NMULMVLZDFNMDP-QGZVFWFLSA-N 293.370 3.612 30 20 CHED CCc1ccc(N(CC)C(=O)c2cccc(CC#N)c2)cc1 298632206 WGWPCEDSIOUFCR-UHFFFAOYSA-N 292.382 3.982 30 20 CHED C=CCCCCNC(=O)[C@@H](C)c1ccc(CC)cc1 471697985 SEIWQEIQXBBKBV-AWEZNQCLSA-N 259.393 3.825 30 20 CHED Fc1ccc2c(c1)C(=NNc1nccnc1C1CCC1)CC2 807994740 XBXZTCSSVYBYJW-UHFFFAOYSA-N 296.349 3.646 30 20 CHED C=CCOC(=O)c1ccccc1-c1ccccc1C#N 807604668 ARIQDJDUVWWYJK-UHFFFAOYSA-N 263.296 3.568 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccccc1Cl 562739787 LTXDHYHMOLLZOT-UHFFFAOYSA-N 272.797 3.611 30 20 CHED C=CCCC(=O)N1Cc2cccc(C)c2CC1(C)C 296418635 XPKUFSPAMODUCG-UHFFFAOYSA-N 257.377 3.625 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@@H](C(C)(C)C)C1)C(C)(C)C 808313822 DJOFLCSOWAELNM-ZIAGYGMSSA-N 278.440 3.502 30 20 CHED C=CCCCC(=O)OCc1nc2cccc(Cl)c2[nH]1 802884092 BDEITCCGIGDURZ-UHFFFAOYSA-N 278.739 3.616 30 20 CHED Cc1ccc(F)cc1C=NNc1nccnc1C1CCC1 807991612 QGDDMRMQODLWRO-UHFFFAOYSA-N 284.338 3.638 30 20 CHED C=CCSCCNCc1cc2c(C)cc(C)cc2[nH]1 479450316 FHOXXBMMAFVZSI-UHFFFAOYSA-N 274.433 3.794 30 20 CHED Cc1cccc(C)c1CN1CCC[C@]2(CCCCO2)[C@H]1C#N 560027540 ZZHBZDIPTGDVKH-RTBURBONSA-N 298.430 3.731 30 20 CHED C#C[C@H](NC(=O)[C@H](c1ccccc1)C(C)C)C(C)(C)C 807884116 JNGKVKPVNJOXHO-HOTGVXAUSA-N 271.404 3.590 30 20 CHED Cc1c(CN=c2[nH]ccc(C#N)c2Cl)oc2ccccc12 561225862 SQCWODJMHCIKBA-UHFFFAOYSA-N 297.745 3.695 30 20 CHED C[C@@H](C#N)OCCSCc1ccccc1C(F)(F)F 802749893 QQWCITIBAWUFHI-JTQLQIEISA-N 289.322 3.867 30 20 CHED N#CC1(CSc2nnc(-c3ccccc3)o2)CCC1 566543514 UGHKCYOIWFJRBT-UHFFFAOYSA-N 271.345 3.523 30 20 CHED C[C@@H](NN=C1CCc2c(Cl)cccc21)c1ccncc1 819814508 ABUZALQVNNIOSL-LLVKDONJSA-N 285.778 3.736 30 20 CHED CC[C@H](C)n1ncc(Nc2ncc3c(c2C#N)CCC3)c1C 564877551 BHIBGDQKIRUNTO-NSHDSACASA-N 295.390 3.662 30 20 CHED C=CCn1cccc1C(=O)NCc1cccc2ccccc12 488391530 AVHFOOMKYIDGCT-UHFFFAOYSA-N 290.366 3.757 30 20 CHED Cc1nc(N2CCCC[C@@H]2CC(C)C)ccc1C#N 488079282 SIJVEESIIDHRLS-OAHLLOKOSA-N 257.381 3.667 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1c(F)cccc1Cl 568760543 XPDDRBSEQYODHK-VIFPVBQESA-N 270.735 3.955 30 20 CHED CC#CCN(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 561380389 BYZIKHOYYVNQDS-UHFFFAOYSA-N 282.387 3.561 30 20 CHED Cc1cc(CN2CCc3c(F)cccc3C2)ccc1C#N 488171802 UETWJLXUAKOVQG-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1ccncc1Cl 817327402 IQIHONUTWPKYDC-CYBMUJFWSA-N 265.788 3.627 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H](C)[C@H]1CCC 488757590 ZKQADYRLOAMNIS-LSDHHAIUSA-N 274.408 3.715 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1sccc1C 819816134 XMCJMWLFRBATEV-LLVKDONJSA-N 259.378 3.526 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 816704053 DVLOTTDOEKUCKV-VXGBXAGGSA-N 273.367 3.871 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C)CC(C)(C)C#N 817618192 XZCMABGSTIUBKO-AWEZNQCLSA-N 266.429 3.991 30 20 CHED CC(C)Oc1ccc(C=NN[C@H](C)c2ccncc2)cc1 819816131 XKKZDLBBXZWDMC-CQSZACIVSA-N 283.375 3.554 30 20 CHED CCc1ccc(C#CC(=O)N(C)[C@@H](C)c2cccs2)cc1 814529657 LXRCHDHKRIOWHJ-AWEZNQCLSA-N 297.423 3.882 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(OCC(C)C)cc1 488854440 NKAMORAIMZLSAJ-MRXNPFEDSA-N 287.403 3.902 30 20 CHED C[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)C[C@@H](c2ccccc2)C1 576220246 IEMGOAOBFLMZAF-NBMJBFSESA-N 295.430 3.992 30 20 CHED C=CC[C@H](CC)NC(=O)CCCc1c(F)cccc1F 653784399 PZWRTFKTVPLFMQ-LBPRGKRZSA-N 281.346 3.758 30 20 CHED C=CCC1(C(=O)OCc2oc(CCC)nc2C)CCC1 814072979 FUXWUJWBJIHREY-UHFFFAOYSA-N 277.364 3.725 30 20 CHED C=CCC1(NCc2cnc([C@H]3CCCO3)s2)CCCC1 657703104 SWASGNAEICMUJQ-CQSZACIVSA-N 292.448 3.973 30 20 CHED C=C[C@H]1CCCCN1C(=O)COc1ccc(Cl)c(C)c1 488835509 YSJRPKTXSOXGOR-ZDUSSCGKSA-N 293.794 3.594 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(-c2cccs2)on1 815313656 OVPIZBDBSIXVFP-UHFFFAOYSA-N 299.298 3.658 30 20 CHED N#Cc1cc(NC(=O)/C=C/Sc2ccccc2)ccc1F 728180580 UZANSYNMSZELEF-CMDGGOBGSA-N 298.342 3.942 30 20 CHED COc1ccc(F)cc1C=NNc1ccc(F)c(F)c1F 814945121 MCWPSOJOFDJCRM-UHFFFAOYSA-N 298.239 3.698 30 20 CHED Cc1ccccc1OCCOc1ccc(C#N)cc1C 726968738 BJFMBBWUQCKPSQ-UHFFFAOYSA-N 267.328 3.633 30 20 CHED CCCCCCCS(=O)(=O)N1CC2(CCC2)[C@H]1C1CC1 810086613 MOLCLIKEKAULDN-OAHLLOKOSA-N 299.480 3.551 30 20 CHED COc1ccc(F)cc1/C=C1/Cc2ccccc2C1=O 812240931 XCPOSYCTLIMKOV-LCYFTJDESA-N 268.287 3.657 30 20 CHED Cc1cc(CN[C@@H](Cc2ccccc2)C2CC2)ccc1C#N 488157297 CMINVROTIYKQNK-FQEVSTJZSA-N 290.410 3.978 30 20 CHED Cn1ccc2c(NC(=O)[C@]3(C#N)CC34CCCC4)cccc21 577030663 GHKUOAOSCUNXBX-GOSISDBHSA-N 293.370 3.591 30 20 CHED C[C@@H](CC(=O)OCCCCC#N)c1ccccc1F 726844008 PKZDDLNOVBOBCC-LBPRGKRZSA-N 263.312 3.556 30 20 CHED C=CCCCCCN1CC[C@H](C(=O)O)[C@H]2CCCC[C@@H]21 656765474 NKFKULLLWGUARA-PMPSAXMXSA-N 279.424 3.698 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@](C)(C#N)C1 821868004 NISICNHMLYBNLU-MJGOQNOKSA-N 298.430 3.716 30 20 CHED Cc1cc(C(=O)OCc2ccc(F)cc2C#N)ccc1F 728996176 NHRIFZRWAMBCEG-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC(C)C#CC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 820221942 ADZNYZCCYIEVPO-MRXNPFEDSA-N 277.795 3.813 30 20 CHED CCCCCCCCCNC(=O)c1cc(CC)cnc1O 820930329 PCZBSRMKZQGVEA-UHFFFAOYSA-N 292.423 3.830 30 20 CHED CCCCCCCCC(=O)NCc1ncccc1C 729439463 AYROXCMNZFCKAQ-UHFFFAOYSA-N 262.397 3.757 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)NCC2(C#N)CC2)cc1 580393509 JFMFIVRKSBGZQQ-INIZCTEOSA-N 297.402 3.535 30 20 CHED C#C[C@@H](NCc1ccc(C)cn1)c1ccc(Cl)cc1 491754148 RKHGLYYXKNLXEO-MRXNPFEDSA-N 270.763 3.508 30 20 CHED N#CC1(CCCCOc2cccc(C=O)c2)CCC1 902684114 DBSRHKDUKPCORF-UHFFFAOYSA-N 257.333 3.742 30 20 CHED Cc1c(C(=O)/C=C\c2cc(C#N)cs2)cnn1C(C)C 588559218 MLYDUGZURKANRR-PLNGDYQASA-N 285.372 3.602 30 20 CHED C=CC[C@@H]1CCCN([C@H](C)c2nc(CCCC)no2)C1 661379555 ZORBMVDCOAYPDV-ZIAGYGMSSA-N 277.412 3.761 30 20 CHED Cc1ccc(CCC(=O)Nc2ccccc2CC#N)cc1 588988390 LNONJVUOSYEKCD-UHFFFAOYSA-N 278.355 3.632 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1cccc(C2CC2)c1 834444729 OOCOCQIXVPSTPO-HJWRWDBZSA-N 266.344 3.800 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(OCC3CC3)cc2)C1 839051423 XHGQLBZUDCNQGQ-YOEHRIQHSA-N 299.370 3.715 30 20 CHED C=CC(C)(C)CN[C@H]1CCc2nc(Cl)ccc21 834883542 LYGWWCVEIGEBTC-NSHDSACASA-N 250.773 3.524 30 20 CHED Fc1cccc(F)c1NN=Cc1ccc2ncccc2c1 735615504 ROGFUTYKSFFFQV-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C=CCCNC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 661572702 XLVHENDPWRJFPD-GFCCVEGCSA-N 296.823 3.752 30 20 CHED CC(=NNc1nc(-c2cccnc2)no1)[C@@H]1CCCC[C@H]1C 834983366 WTESYGSGCBAHHT-BXUZGUMPSA-N 299.378 3.746 30 20 CHED C#CCOc1ccc(NC(=O)NC2(C)CCCCC2)cc1 734934099 CXFHOMXMFARTIU-UHFFFAOYSA-N 286.375 3.543 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(OC(C)(C)C)cc1 903106390 OZLWKMPIINQHKS-ZDUSSCGKSA-N 272.392 3.818 30 20 CHED CCCCC(COC)=NNc1nc2ccccc2s1 737417200 YVPPUSRIBIBHHY-UHFFFAOYSA-N 277.393 3.901 30 20 CHED CCc1nocc1/C=C1/C(=O)c2ccccc2[C@H]1C 834441156 AZBOQENULPNJBA-WWNSAXIVSA-N 253.301 3.620 30 20 CHED C[C@H](CCC#N)CN1CCC(C(=O)c2ccccc2)CC1 671126109 BJGZBXKVUCEPMV-OAHLLOKOSA-N 284.403 3.521 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1sccc1C 733745183 DDDVKQDODIZCQA-UHFFFAOYSA-N 270.361 3.769 30 20 CHED CC(C)(C#N)CCCCSCc1noc2c1COCC2 901824462 GTNVWAKDIKMHOM-UHFFFAOYSA-N 294.420 3.701 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 580290160 WXSJEBUGCBEWKT-INIZCTEOSA-N 299.418 3.626 30 20 CHED CO[C@H]1CC(=NNc2cccc3cnccc23)C12CCC2 834953606 KQWWGMPEOIIZJX-INIZCTEOSA-N 281.359 3.592 30 20 CHED N#C[C@@]1(C(=O)O[C@H]2CCc3ccc(F)cc32)CC12CCCC2 839293003 AKPZEUWCDKZXNU-MAUKXSAKSA-N 299.345 3.830 30 20 CHED Cc1oc2ccc(NC(=O)NCC3(CC#N)CC3)cc2c1C 581048860 LCNJOMMWHIKLDH-UHFFFAOYSA-N 297.358 3.865 30 20 CHED C[C@H](Nc1cc(C#N)ncn1)c1ccc(C(F)(F)F)cc1 582819018 YKOFJGCIXHLAQB-VIFPVBQESA-N 292.264 3.540 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCC1(C#N)CCCC1 835283173 SMTRMXVHCPAFTA-JTQLQIEISA-N 277.286 3.592 30 20 CHED C(=NNc1ccccc1)c1ccc(OC[C@@H]2CCCO2)cc1 839383891 QQDWMFMKXDQMOT-SFHVURJKSA-N 296.370 3.690 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)C1CCN(C)CC1 835017815 AWUVABMRYMIYEX-UHFFFAOYSA-N 273.424 3.940 30 20 CHED C[C@H]1CCCN(c2ccccc2OCC2(CC#N)CC2)C1 596257783 LRXMLMSRGKYCFC-HNNXBMFYSA-N 284.403 3.996 30 20 CHED CC(C)c1occc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839059407 PIRJCWGBQSZJMK-NWDGAFQWSA-N 261.321 3.642 30 20 CHED CCOc1ccccc1[C@@H](C)NCCc1ccc(C#N)cc1 595055531 GEUXKEIWMPUYOF-OAHLLOKOSA-N 294.398 3.850 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H](C)c2cccc(OC)c2)c1 917558767 XXPURGGPRSWAMD-HCZVKUGISA-N 299.370 3.980 30 20 CHED C=C(C)CCc1noc(COc2cccc(CC)c2)n1 671670864 KJSCOUODKINMPV-UHFFFAOYSA-N 272.348 3.720 30 20 CHED C[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)C(C)(C)C 749201968 KSBKUFBQCBRBHZ-ZDUSSCGKSA-N 299.418 3.529 30 20 CHED CCn1nccc1/C=C1\CCc2ccc(SC)cc2C1=O 843274366 XHPMRJDNZXJLLR-JLHYYAGUSA-N 298.411 3.837 30 20 CHED CCC[C@@H]1CCc2nc(NC(=O)[C@H](C#N)CC)sc2C1 593444445 PSDCUYOQBNZVQB-MNOVXSKESA-N 291.420 3.536 30 20 CHED C=C(C)CCOC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 744299628 IQRAXZBWLVXQEQ-GHMZBOCLSA-N 266.287 3.578 30 20 CHED N#CC[C@@H]1CCCN(C/C=C\c2ccc(Cl)cc2)C1 595623471 QXVFVEDINJPIKR-BGGTVIOKSA-N 274.795 3.979 30 20 CHED C#CCC1(c2nc(-c3csc(C)n3)no2)CCCCC1 842508564 RTEGACPIENVDQT-UHFFFAOYSA-N 287.388 3.727 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C1 596281173 NYECFDNRZYCHTB-WCBMZHEXSA-N 281.262 3.637 30 20 CHED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1cccs1 746498191 SKRLFKIKPWRCKH-UHFFFAOYSA-N 288.376 3.741 30 20 CHED N#CC1(Cc2nc(Cc3ccc(F)cc3)no2)CCCCC1 594731858 IZQDYPNPJMINHR-UHFFFAOYSA-N 299.349 3.816 30 20 CHED CC(C)CCc1noc(CSCC2(CC#N)CC2)n1 596336478 XMHXYOKOABMURD-UHFFFAOYSA-N 279.409 3.585 30 20 CHED C#CCN(C(=O)c1cnc(CCC)s1)C1CCCCC1 741910738 BPXSRDDIYNSXKU-UHFFFAOYSA-N 290.432 3.504 30 20 CHED CCC/C(C)=C\C(=O)N[C@H](CCC#N)c1ccccc1 749045996 RZESPMBPKKITJB-OMACXJQVSA-N 270.376 3.894 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C(F)F)nc1 594007169 JZTBIBUINZHRIO-UHFFFAOYSA-N 295.333 3.564 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@]1(C)CCc2ccccc21 592587705 SRVSVVYDEZSLBN-IBGZPJMESA-N 290.366 3.709 30 20 CHED COc1cc(C=NNc2ccccc2)ccc1SC 746484961 OXEPDOXNSYIVDX-UHFFFAOYSA-N 272.373 3.863 30 20 CHED C=C(C)CN(C)C(=O)CCCCCc1ccc(O)cc1 679277722 WFWQVWWCCMRKJA-UHFFFAOYSA-N 275.392 3.530 30 20 CHED FC(F)(F)CCON=Cc1ccc(Cl)cc1 740872470 BKNZZXZTTWJUNJ-UHFFFAOYSA-N 251.635 3.643 30 20 CHED CC(=NNCCN1CCCCC1)c1ccc2ccccc2c1 915974415 TXYFBTGJYXDDDU-UHFFFAOYSA-N 295.430 3.639 30 20 CHED N#Cc1ccc(SCC(=O)C2(Cl)CC2)c(Cl)c1 917201999 XRKSDCZOAIFQSB-UHFFFAOYSA-N 286.183 3.644 30 20 CHED N#Cc1ccc(NN=Cc2cccc(OC(F)F)c2)cc1 747047602 BYHSLSWZURZXIM-UHFFFAOYSA-N 287.269 3.606 30 20 CHED CC(=NNc1cncc(Cl)n1)c1ccc(C)c(C)c1 914560175 QNUOJCJRSMFLDU-UHFFFAOYSA-N 274.755 3.583 30 20 CHED CC(CCCCC#N)=NNCCCOc1ccccc1 841623218 GNSWTTSXRPMADT-UHFFFAOYSA-N 273.380 3.505 30 20 CHED C=CCOCCCC(=O)Nc1c(F)cccc1NC(C)C 911934081 OPAUKMURWLWERP-UHFFFAOYSA-N 294.370 3.567 30 20 CHED CC[C@@H](C#N)OC(=O)c1c(Cl)cccc1OCC1CC1 910263518 PSXCVOYIQBQYRQ-NSHDSACASA-N 293.750 3.588 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](CC)C1CCC(C)CC1 594086255 QWULWDAVILKHJC-PFSRBDOWSA-N 264.413 3.599 30 20 CHED N#CCOc1ccc(CN2CC[C@H]2c2ccccc2)cc1 746457277 NOXDENHXRHMMSM-SFHVURJKSA-N 278.355 3.536 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)C(F)(F)[C@H](C)C1 599057504 FNWFNCMAXZVDPX-JHJVBQTASA-N 278.346 3.842 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc(C2CC2)cc1 597036975 HCDBYPPZSYZDQJ-QGZVFWFLSA-N 270.376 3.622 30 20 CHED C=C(C)CCOC(=O)c1ccc(Br)cc1 744306799 LPZLXILGLBSDSM-UHFFFAOYSA-N 269.138 3.572 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ncccc1Cl 747754037 YSYOPGBMEOHVOX-SNVBAGLBSA-N 251.761 3.959 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2cccc(C3CCC3)c2)C1 597904396 QMOWIRVGDIRYOZ-AWEZNQCLSA-N 282.387 3.720 30 20 CHED N#CCOc1cccc(OC(=O)CCCC2CCCC2)c1 841345427 ICHRXFVCAJPVIS-UHFFFAOYSA-N 287.359 3.855 30 20 CHED C[C@H](CSc1ccccc1)N(C)c1cccc(C#N)n1 593483003 WTPCLGUHRFVLQO-CYBMUJFWSA-N 283.400 3.570 30 20 CHED C=CCNC(=S)N(CC)[C@@H](CC)Cc1ccc(C)cc1 741873451 ACGKWRYAZCQPBM-INIZCTEOSA-N 290.476 3.699 30 20 CHED C=CCSCCNC(=O)c1cc2c(F)cccc2s1 745115376 GTHVLNDVZQIHSV-UHFFFAOYSA-N 295.404 3.689 30 20 CHED COCc1nc2cc(N[C@H](C)CC(C)(C)C#N)ccc2o1 925893310 AECHDMDXECHOJL-LLVKDONJSA-N 287.363 3.714 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2cccc(F)c2o1 683788771 SQGHSTPOMYSULQ-GFCCVEGCSA-N 273.307 3.753 30 20 CHED CCCCCCCCC(=O)N[C@@H](CC)[C@H]1CCCO1 756105080 DTWDJFIPYRBTMM-LSDHHAIUSA-N 269.429 3.811 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(SC(F)F)cc1 757177010 GZFDTQIKFAJVIM-QMMMGPOBSA-N 272.320 3.697 30 20 CHED C=C(C)[C@H](C)OC(=O)c1cc2sc(N(C)C)nc2s1 755997555 VCGPLPXPIODPML-QMMMGPOBSA-N 296.417 3.545 30 20 CHED C=CC(C)(C)CCOC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 851298435 BFLFNJJMAMOLTM-PBWFPOADSA-N 278.392 3.527 30 20 CHED COc1ccc(NN=C(C)c2cc(C)ccc2OC)cc1 750944893 BKHWXEALGSLJCJ-UHFFFAOYSA-N 284.359 3.848 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(F)cc(F)c2)ccc1O 755592201 GDMADVDLETWNOV-RQOWECAXSA-N 274.266 3.875 30 20 CHED Oc1nc2ccccc2cc1/C=N\C[C@@H]1CC=CCC1 920990804 DOKSFQZMEFEFEM-FDIDITGRSA-N 266.344 3.716 30 20 CHED Oc1ccc(Cl)cc1/C=N/Cc1ccc(F)c(F)c1 920387904 WFOBVTGFUFYJFA-QGMBQPNBSA-N 281.689 3.943 30 20 CHED CCc1ccccc1N=Cc1cc(OC)ccc1O 920943412 XVMGZGAUOXADQN-UHFFFAOYSA-N 255.317 3.714 30 20 CHED Cc1ccccc1C[C@@H](NCC1(C#N)CC1)c1ccco1 926873314 FLAFFIYZYGVCEE-MRXNPFEDSA-N 280.371 3.765 30 20 CHED N#CC1(CC(=O)Oc2ccccc2F)CCCCC1 850744234 STZJHVQUXKTBRM-UHFFFAOYSA-N 261.296 3.595 30 20 CHED C#CC[C@@H](Nc1ccnc(C(C)(C)C)n1)c1ccccc1 756957005 ITNPVQVHRLZRGB-OAHLLOKOSA-N 279.387 3.951 30 20 CHED C=CCCSCCN[C@@H](C)c1c(C)cc(C)cc1O 850502512 RRLMXTATWIRHEA-AWEZNQCLSA-N 279.449 3.969 30 20 CHED C#CCCCN=[S@](=O)(c1ccc(F)cc1)C(F)(F)F 853725390 PZLNPATWVVOGCG-IBGZPJMESA-N 293.285 3.586 30 20 CHED CCc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2)o1 752156529 CLBDMBCIBIPLMK-UHFFFAOYSA-N 273.292 3.586 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N1CCC[C@H](C#N)C1 928219334 UJFDDUWJBPRTOS-GDBMZVCRSA-N 264.413 3.745 30 20 CHED C#CCOc1ccc(C(C)=NNc2ccc(OC)cc2)cc1 750923330 XHZILKBQJDTLJL-UHFFFAOYSA-N 294.354 3.543 30 20 CHED CC(/C=C\C(=O)c1ccc(O)cc1O)=C\c1ccccc1 757471620 HNTRQWOGKHCCLO-XQALPWGSSA-N 280.323 3.940 30 20 CHED CCOc1cc(C=NN2CCCC[C@H]2C)cc(Cl)c1O 853380620 XQOYLJPQTWDRHE-LLVKDONJSA-N 296.798 3.653 30 20 CHED C#C[C@@H](OC(=O)[C@](C)(F)CCCC)c1ccccc1 851085925 CKCHYWJHNNDAAA-GDBMZVCRSA-N 262.324 3.823 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@@]1(C)CC1(Cl)Cl 851204471 AEUOZMSQLTXJHV-CABZTGNLSA-N 292.206 3.832 30 20 CHED C(=NNc1ncnc2ccsc12)[C@H]1C[C@H]1c1ccccc1 755794812 FAWKLABEUHTSHJ-OLZOCXBDSA-N 294.383 3.893 30 20 CHED CC(CCc1cccc(F)c1)=NO[C@H]1CCCCO1 755823738 NVZDRMOOFVXTKD-HNNXBMFYSA-N 265.328 3.677 30 20 CHED C=CCCSCCN[C@@H](C)c1cc(F)cc(F)c1O 850503024 ZXIZWLYODOORAK-JTQLQIEISA-N 287.375 3.630 30 20 CHED C=C[C@@H](OC(=O)c1cc(C(C)C)no1)c1ccccc1 851454252 ZDHXKJNGFDOKCF-CQSZACIVSA-N 271.316 3.882 30 20 CHED CSc1ccc(/C=C\C(=O)N(CCC#N)C(C)C)s1 858995031 KMLWEXZOOKZOIP-ALCCZGGFSA-N 294.445 3.634 30 20 CHED C=CCN(C(=O)C[C@H](C)c1cccc(OC)c1)C(C)C 753195189 OPNVCVWZNXCIMA-AWEZNQCLSA-N 275.392 3.612 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](F)C(C)C)CCCC1(C)C 767217989 DGDHNMDMOAHVAN-STQMWFEESA-N 255.377 3.574 30 20 CHED COc1ccc(O)c([C@@H](C)NCCCCC(C)(C)C#N)c1 769785492 BWOCVLOXYGYTBL-CYBMUJFWSA-N 290.407 3.771 30 20 CHED C[C@H](OC(=O)C[C@H]1CCC[C@H]1C)c1cccc(C#N)c1 769293589 OQXOSLUMUAWTEU-VNHYZAJKSA-N 271.360 3.989 30 20 CHED O=C1CCCN1N=Cc1ccc(Oc2cccc(F)c2)cc1 766454291 JBYJXGPWTWGWNB-UHFFFAOYSA-N 298.317 3.574 30 20 CHED C=CCCC(=O)COC(=O)C[C@H](C)C1CCCCC1 761397563 KMEWPBVEYATFFX-ZDUSSCGKSA-N 266.381 3.671 30 20 CHED Cn1cnc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc21 761202937 ZYSYZZOHUZIVFD-YCRREMRBSA-N 280.302 3.609 30 20 CHED C#CCCc1noc([C@H](CC)Oc2ccccc2Cl)n1 762014434 NWDUHXCELXBKCK-LBPRGKRZSA-N 290.750 3.819 30 20 CHED C#C[C@@H](OC(=O)c1ccc(-c2ccco2)s1)C1CC1 767515779 MDVYIYZKIFDLHR-LLVKDONJSA-N 272.325 3.577 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CCO[C@H](C)C1 769707067 VCCYVBIQPYWTQM-ARFHVFGLSA-N 298.471 3.850 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1sccc1OC 764433300 QJDHIEBINFBMSK-ALCCZGGFSA-N 288.368 3.970 30 20 CHED CCc1ccc(C=NNCc2cnc3ccccc3c2)s1 764777402 BBWOIYRRNDEIPP-UHFFFAOYSA-N 295.411 3.982 30 20 CHED CCCc1ccc(C(=O)OCCCSCC#N)s1 869937214 WTQUIUXIYJNVKK-UHFFFAOYSA-N 283.418 3.504 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccc(Cl)nc1 766024764 DDMXYEYNXLPSAJ-VIFPVBQESA-N 251.761 3.959 30 20 CHED CC(C)Cc1ccc(C=NOCC(F)(F)F)cc1 764834414 CCRURZLRVLUXOJ-UHFFFAOYSA-N 259.271 3.798 30 20 CHED O=C(/C=C/c1ccc(F)cc1Cl)c1ccc(O)cc1O 767727773 CDXLDSZUTUFSJU-QHHAFSJGSA-N 292.693 3.786 30 20 CHED Cc1sc(/C=C\c2cccc(C#N)c2)cc1C=O 760266391 UGOZGLDAXFJDLD-WAYWQWQTSA-N 253.326 3.911 30 20 CHED CC(/C=C1/CCc2nc(O)ccc2C1=O)=C\c1ccccc1 768842134 RKYXNEBEJXAWDV-DZIWGARNSA-N 291.350 3.946 30 20 CHED C=CCCC(=O)COC(=O)c1c(Cl)cccc1Cl 761360080 JQDNJCBQNNHJMF-UHFFFAOYSA-N 287.142 3.686 30 20 CHED Cn1cnc2cc(/C=C\C(=O)c3ccc(Cl)nc3)ccc21 761207358 UHIFSQRGZHFOGK-UTCJRWHESA-N 297.745 3.518 30 20 CHED C#CCCCCCC(=O)N[C@@H]([C@H](C)CC)C(F)(F)F 767100785 ANOLMJVFSFTTDR-YPMHNXCESA-N 277.330 3.663 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1csc(C(C)C)n1 768785127 ZOUJEZKALUPECX-UHFFFAOYSA-N 298.415 3.652 30 20 CHED Cc1cc(CNCc2cc(C#N)ccc2F)ccc1Cl 779980168 GXEDUHJIPXJMHF-UHFFFAOYSA-N 288.753 3.949 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1cc(F)ccc1OC 878286464 OTIYPKRRXFYFCW-NSHDSACASA-N 279.355 3.614 30 20 CHED Cc1ccsc1CCNC1CC(C#N)(c2ccccc2)C1 1116723148 CMLMPJKZIMIMDF-UHFFFAOYSA-N 296.439 3.813 30 20 CHED O=C1/C(=C/c2cccc3nccn23)CCc2ccc(F)cc21 776192375 JGPNHZILAFMDEX-JLHYYAGUSA-N 292.313 3.686 30 20 CHED CCC[C@H](CC)C(=O)Nc1scc(C)c1C#N 875708593 GMHPIVQRXQWLRT-JTQLQIEISA-N 250.367 3.693 30 20 CHED C#CCCCCCC(=O)NC1(c2ccc(F)cc2)CC1 779916510 CGYKRGIKCVXIIP-UHFFFAOYSA-N 273.351 3.515 30 20 CHED CC(=NNc1nncc2ccccc12)C1CCSCC1 777419892 DXDAZJIWVJVXDF-UHFFFAOYSA-N 286.404 3.561 30 20 CHED O=C1C/C(=C/c2cccc(Cl)c2)C(=O)c2ccccc2N1 774144306 JESTZUKZONGHEK-WQLSENKSSA-N 297.741 3.949 30 20 CHED C#CCCCCCC(=O)N1Cc2ccccc2C(C)(C)C1 779946439 RAXUQXLXPZNJQP-UHFFFAOYSA-N 283.415 3.890 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(Cl)c(C(F)(F)F)c1 775178375 IYGSKJBTBMMDTL-VIFPVBQESA-N 275.701 3.812 30 20 CHED CCC(=NOC1CCCCC1)c1c(C)nn(C)c1C 777456951 JEWMJFOJLNCURA-UHFFFAOYSA-N 263.385 3.500 30 20 CHED C#CCOc1ccccc1CNc1cnn(CCCC)c1C 774824007 RBNTWJVHXITTOH-UHFFFAOYSA-N 297.402 3.616 30 20 CHED CC(C)c1nccnc1NN=Cc1ccsc1Cl 773092159 ZULCONLQHOWFSM-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C=CCSc1ccccc1C(=O)OCC1(C#N)CCC1 777366189 TYVZPJHFLRIKFT-UHFFFAOYSA-N 287.384 3.815 30 20 CHED COC(=O)c1cccc(NN=C/C=C\c2ccc(F)cc2)c1 779826802 QNGVHMBMZWTYMX-YEYGOYOGSA-N 298.317 3.723 30 20 CHED CCCCCCOCc1cccc(NC(=O)CC#N)c1 772423638 OOAWMGCHBICZCS-UHFFFAOYSA-N 274.364 3.636 30 20 CHED Cc1ccc(F)cc1COC(=O)c1cccc(F)c1C#N 782317180 LCKRFOHKCUKWJI-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCCCN(Cc1cc(C#N)ccn1)C1CCCCC1 1460163632 UXBOOJIZLZURQY-UHFFFAOYSA-N 271.408 3.888 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc(Cl)ccc1Cl 1121161786 XEFDJYAQBLKRDT-JTQLQIEISA-N 285.174 3.758 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1cncs1 787171897 QHCUWQBVAXWPOP-PLNGDYQASA-N 281.283 3.641 30 20 CHED N#Cc1ccc(C(=O)OCc2sccc2Cl)s1 785915034 VYZKLHJRTIXRDL-UHFFFAOYSA-N 283.761 3.692 30 20 CHED COc1cc(NN=Cc2ccsc2)ccc1Cl 788468802 YDBSUAYAUCYFIK-UHFFFAOYSA-N 266.753 3.856 30 20 CHED CCc1ccc(C=NOCc2ccccc2C(=O)OC)cc1 784046006 GBBFLDJACSRZBJ-UHFFFAOYSA-N 297.354 3.586 30 20 CHED C=CCCN(C)C[C@@H](O)c1ccc(Cl)cc1Cl 786443383 JOIQVMFDYDKHPT-CYBMUJFWSA-N 274.191 3.535 30 20 CHED C=CC[C@@H](CCc1ccccc1)OC(=O)Cc1cc(C)on1 1122995645 SKBRELSZEFPFNH-KRWDZBQOSA-N 299.370 3.646 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(Cl)cn1)OCC 781606620 CEIVBMLIDHYNHG-SMDDNHRTSA-N 297.782 3.711 30 20 CHED CCCCCCC[C@@H](C)NC[C@@H]1CCCN(C)C1 105935872 ILEIBJKSHIMRSS-CVEARBPZSA-N 254.462 3.667 30 20 CHED C#CCCCCCC(=O)O[C@@H](CC)C(=O)c1ccccc1 780256702 KTUQLFVIJPFXFR-INIZCTEOSA-N 286.371 3.775 30 20 CHED C=C1CCC(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)CC1 896974687 HDFRCCBIXDCKRF-LJQANCHMSA-N 299.414 3.507 30 20 CHED Cc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1C 780188955 SEFGXOLBMQJFJK-NVNXTCNLSA-N 264.324 3.831 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1csc(Cl)c1 787153130 QMBFCYCWSUDVNJ-UHFFFAOYSA-N 294.763 3.936 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC1CCCCCCC1 782338284 JRKUHRDJDPISSB-QGZVFWFLSA-N 281.440 3.692 30 20 CHED C[C@@H](CCC#N)CNC(C)(C)c1ccc(F)cc1F 895854201 JACNYAUUOGUDNK-NSHDSACASA-N 266.335 3.729 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C\c1ccc2ccccc2n1 785861503 CHQMIPLUJXLIKX-MUSGIIIZSA-N 292.382 3.815 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1cccs1 783874189 YYZNKVIGBWGLLZ-UHFFFAOYSA-N 287.384 3.898 30 20 CHED CC(C)N(CCC#N)C(=O)C1CC(C)(C)CC(C)(C)C1 1583888825 JADOYURNENDSAH-UHFFFAOYSA-N 278.440 3.990 30 20 CHED C=C1CCC(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)CC1 896741565 KEXBIRFNXXHUNX-RHSMWYFYSA-N 269.388 3.952 30 20 CHED CC(=NNCc1ccccc1N(C)C)c1sccc1C 794953277 ZLLQJVGTKUVBJG-UHFFFAOYSA-N 287.432 3.636 30 20 CHED C=C1CCC(C(=O)Nc2cc(O)c(C)cc2C)CC1 897400299 MEIPJWQDYZJBMR-UHFFFAOYSA-N 259.349 3.694 30 20 CHED COCCCON=C(C)c1ccc2ccccc2c1 795049122 WWWJFRLXAXWISI-UHFFFAOYSA-N 257.333 3.617 30 20 CHED C=C1CC(c2noc(-c3cccc(OCC)c3)n2)C1 896884458 NKCXBKQEVSUGTC-UHFFFAOYSA-N 256.305 3.569 30 20 CHED C=C(C)CNC(=S)Nc1cnn(CCCC)c1C(C)C 790351716 ZTRGWPDYKYHPAC-UHFFFAOYSA-N 294.468 3.669 30 20 CHED C=CCCCOC(=O)CCOc1cccc(Cl)c1 735527749 LVWRLQDTFPPWOM-UHFFFAOYSA-N 268.740 3.618 30 20 CHED N#Cc1cc(N2CCC3(CCCCC3)CC2)ccn1 61821267 WAVPHVXHYFRSAT-UHFFFAOYSA-N 255.365 3.504 30 20 CHED Clc1cccc(NN=Cc2nccc3ccccc23)n1 793181502 SZBABAITAHFJEW-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C=CCCSCCNC1CC(c2ccccc2)C1 595060954 WVEWWRWHIUGZMS-UHFFFAOYSA-N 261.434 3.832 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H]1c1ccc(F)cc1 595703689 NJCHSZWEBWFEDI-OAHLLOKOSA-N 260.356 3.902 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2ccccc2Cl)[C@H]1C 794453620 UBPQWJSLGZLXPX-QWRGUYRKSA-N 294.782 3.717 30 20 CHED FCCCCON=Cc1ccc(Br)cc1 795199993 QNQUBDRXAKCQPU-UHFFFAOYSA-N 274.133 3.549 30 20 CHED N#Cc1cc(C(=O)Oc2cc(Cl)ccc2F)ccc1F 790533425 NTTMOVNULQNOLB-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C#CCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 798013173 HATLJODQWOGNEY-SMDDNHRTSA-N 296.197 3.769 30 20 CHED Clc1cccc(Cl)c1CNN=Cc1ccncc1 793117782 PQANYTNQAYFWOW-UHFFFAOYSA-N 280.158 3.512 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 792480385 HXYWTPRWLLTZCY-WMLDXEAASA-N 295.382 3.525 30 20 CHED CSc1ccc(/C=C\C(=O)c2cc(C)on2)cc1 791431267 IOQJFHZRQRLWSY-YVMONPNESA-N 259.330 3.601 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(OC(F)(F)F)cc2)C1 799720640 KSJOITKVINUZHZ-MWLCHTKSSA-N 270.254 3.689 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](c1ccccc1)C1CCC1 791018727 CBGFOBQCKICMAX-IAGOWNOFSA-N 284.403 3.629 30 20 CHED CN(C(=O)C1(C#N)CCCC1)C1CCCCCCC1 748642396 UWGCZGBWSHMIOK-UHFFFAOYSA-N 262.397 3.642 30 20 CHED C[C@H]1CSCCN1c1ccc(C#N)c(C(F)(F)F)c1 70222515 VVZNHYIGSMNRKX-VIFPVBQESA-N 286.322 3.519 30 20 CHED C[C@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)C1(F)F 599515335 SAZATWKNPJERHY-STQMWFEESA-N 272.383 3.930 30 20 CHED C#CCCCCC(=O)N(CCC(C)C)C1CCCC1 692865725 PDXLCKXXFHKACE-UHFFFAOYSA-N 263.425 3.997 30 20 CHED Cc1cc(CNc2ccc(N(C)C)cc2)ccc1C#N 767688115 WGUOCWHPSUXDAH-UHFFFAOYSA-N 265.360 3.545 30 20 CHED CC(=O)c1cccc(COc2cc(Cl)ccc2C#N)c1 1307319774 NOSVHFVCTYOGRG-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CC(C)N(CCC#N)[C@H](C)c1nccc2ccccc12 1308587045 RHMFTZBTTVJEOV-CQSZACIVSA-N 267.376 3.920 30 20 CHED COc1ccc(CNCC2(CC(C)C)CCC2)cc1C#N 1178176443 QNAYSPACFYFLGX-UHFFFAOYSA-N 286.419 3.873 30 20 CHED C=C(C)COC(=O)CCOc1cc(Cl)ccc1Cl 1321917008 NCSLEBZMLKVHLT-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C=CCCc1nnc([C@H](C)Oc2ccc(OCC)cc2)o1 1328092353 RIAOWFBMKFXXIJ-LBPRGKRZSA-N 288.347 3.727 30 20 CHED C=CCOCCCc1nnc(-c2cccc(Cl)c2)o1 1326136422 NZCGEZBHICWVFF-UHFFFAOYSA-N 278.739 3.525 30 20 CHED N#Cc1cccc(-c2nnc([C@@H]3CCCCC3(F)F)o2)c1 1327863495 FVMJUTPTELGPNW-LBPRGKRZSA-N 289.285 3.901 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1c1cccc(CC#N)n1 1320656425 RQVSWSBZHUPYKB-GDBMZVCRSA-N 277.371 3.530 30 20 CHED CC[C@H](NC[C@H](C)CCC#N)c1cc(F)ccc1OC 1336853057 ABRKNCCVNQGYDT-DOMZBBRYSA-N 278.371 3.815 30 20 CHED C[C@H](CCC#N)CN1CCC(Nc2ccccc2)CC1 1330609633 KMVXMAICGIMXOV-OAHLLOKOSA-N 271.408 3.503 30 20 CHED CC(C)(C#N)CCCOC(=O)CSCc1cccs1 1343924918 CNMNOPGOWDYVIB-UHFFFAOYSA-N 297.445 3.854 30 20 CHED CCO[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1 1346719940 IRZBLFFURFTHQY-JKSUJKDBSA-N 299.326 3.555 30 20 CHED C=C[C@@H](C(=O)NC(C)(C)C1CCC1)c1ccccc1 1348708708 YTQVODWSFKFESX-OAHLLOKOSA-N 257.377 3.651 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1cccc(C)c1C 1348983795 IYYBDOHBMGMFOM-MRXNPFEDSA-N 257.377 3.933 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1355925774 GEQIGVCNOBSUKP-VMGRFDJRSA-N 271.360 3.845 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1 1436648661 IDONDNZOCFVDCQ-YXWQFLTLSA-N 275.392 3.828 30 20 CHED C=CC(C)(C)COC(=O)c1csc(N2CCCCC2)n1 1525451233 LTEKVKPDZPDQGM-UHFFFAOYSA-N 294.420 3.502 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1535146648 XVEFFNGBKXAJON-OAHLLOKOSA-N 296.345 3.905 30 20 CHED CCCCCCCCC(=O)N[C@H](C(=O)O)c1ccsc1 1605266618 IRHBPPZXVJZAIM-AWEZNQCLSA-N 297.420 3.741 30 20 CHED O=C(O)c1coc(/C=C2\CCCc3ccccc3C2=O)c1 1602551904 JKRYIHDCPBCWPR-XYOKQWHBSA-N 282.295 3.580 30 20 CHED N#Cc1cccc(Cl)c1SCc1ccc(C(=O)O)o1 1601122260 JASVKAFGPIPNOS-UHFFFAOYSA-N 293.731 3.795 30 20 CHED C=C(Br)CSc1nc2ncccc2s1 1614828255 XSMSEFCZLDBVSP-UHFFFAOYSA-N 287.207 3.692 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(Oc2ccccc2)n1 1540124550 BFNAGFKAECQCOL-QGZVFWFLSA-N 295.342 3.752 30 20 CHED CCOc1ccc(CCNc2cccc(F)c2C#N)cc1 1559295832 PIWQKILPEUCSHX-UHFFFAOYSA-N 284.334 3.751 30 20 CHED N#CCC1(CNC2(c3ccc(F)cc3)CCCC2)CC1 1644895600 MOUNEXOOWQWRRY-UHFFFAOYSA-N 272.367 3.878 30 20 CHED CC[C@@H](CCc1ccccc1)Nc1ncc(C#N)cc1F 1640157469 FQXYEZSVKQKIBW-HNNXBMFYSA-N 283.350 3.916 30 20 CHED CCn1cc(CCSc2ccc(Cl)cc2C#N)cn1 1643743255 XELRBLKAPBTNIG-UHFFFAOYSA-N 291.807 3.763 30 20 CHED C=C(C)CCOc1cc([N+](=O)[O-])ccc1Br 230401808 ZZGYREXEVWEXHC-UHFFFAOYSA-N 286.125 3.702 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C(=O)O)c(C)c1 1588832717 NMBMVSPLQZJORV-UHFFFAOYSA-N 295.382 3.881 30 20 CHED CCO[C@H]1C[C@H](N(C)c2ccnc(C#N)c2)C12CCCCC2 1655208467 LJBSAWIFPPCLGF-IRXDYDNUSA-N 299.418 3.517 30 20 CHED CC(C)c1ccc(NCc2ccc(C#N)cc2F)cn1 1651601477 SOSZXOYBCYTQNH-UHFFFAOYSA-N 269.323 3.828 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cc(C(=O)O)co2)c1 1596068872 OBQXBNDHUDCDEA-BQYQJAHWSA-N 284.311 3.826 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(F)cc(C#N)c1 1679884802 BATSNUWPECEAGW-IAQYHMDHSA-N 289.354 3.740 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)cc2)oc1C 1777418510 QXMPYRVXCZNWOQ-FKJILZIQSA-N 296.322 3.890 30 20 CHED Cc1c(NN=C2CCCc3ccccc32)cccc1C(=O)O 1776086143 DJHZTHSSCALFND-UHFFFAOYSA-N 294.354 3.846 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@H]2c2ccccc2)cn1 1776069376 GXIXHEHURVHIIC-AWEZNQCLSA-N 295.342 3.515 30 20 CHED O=C(O)c1ccccc1NN=C[C@@H]1C[C@H]1c1ccc(F)cc1 1776030967 GGHYAOWXKKNSHO-WFASDCNBSA-N 298.317 3.725 30 20 CHED C[C@@H]1CCc2c(sc(NC(=O)C3CCCC3)c2C#N)C1 5528125 OQPNSAQATBPTAA-SNVBAGLBSA-N 288.416 3.873 30 20 CHED N#CCCCOc1cccc(CNc2cccc(C#N)c2)c1 161160284 GAKBOJIXYJYCPD-UHFFFAOYSA-N 291.354 3.853 30 20 CHED COc1cccc(/C=C2/CCCC(C)(C)C2=O)c1OC 158978373 KHWRFGXMBJMKST-QBFSEMIESA-N 274.360 3.866 30 20 CHED CCN(CCc1c(C)noc1C)[C@H](C)c1ccc(C#N)cc1 164942781 ZSKZVYOVRKUJPO-CQSZACIVSA-N 297.402 3.789 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(CCC#N)CC(C)(C)C)c1 151953755 SEKQGYIVIBDNDC-OAHLLOKOSA-N 286.419 3.887 30 20 CHED CC#CCCSc1nnc(-c2ccccc2Cl)o1 155294707 NHCATZNFXFICEO-UHFFFAOYSA-N 278.764 3.896 30 20 CHED CC[C@H](CC(=O)N(CC)C[C@H](C)C#N)c1ccc(C)cc1 156392160 NRXDVTRVQXXXJJ-HZPDHXFCSA-N 286.419 3.887 30 20 CHED COc1cc(-c2nc3cc(C#N)ccc3[nH]2)ccc1SC 154233831 SIFVZTQYNCHPKT-UHFFFAOYSA-N 295.367 3.832 30 20 CHED N#Cc1cc(NCc2c(O)cccc2Cl)ccc1F 127320017 VZLZJKBISJAFQX-UHFFFAOYSA-N 276.698 3.668 30 20 CHED N#Cc1ccc(CNCc2ccccc2Cl)c(F)c1 20045608 GHKAXYPIZQMNKX-UHFFFAOYSA-N 274.726 3.641 30 20 CHED Cc1cccc(OCCCOc2ccc(C#N)cc2)c1 34652289 YSFPOLRSEYDPLR-UHFFFAOYSA-N 267.328 3.715 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1cccc(O)c1 36138896 FEPAAGDWBNLDGF-SNVBAGLBSA-N 256.280 3.576 30 20 CHED Cc1ccc(C)c(CNc2cccc(CC#N)c2)c1 313485554 XGQJVPLEQSMNQQ-UHFFFAOYSA-N 250.345 3.982 30 20 CHED COCC(C)(C)CNc1ccc(C(F)(F)F)c(C#N)c1 313714317 UXHIRKJMVCKBNU-UHFFFAOYSA-N 286.297 3.662 30 20 CHED N#Cc1cc(NC(=O)[C@H]2CC23CCCC3)ccc1Cl 610471668 WGMBISMDWQWXLD-GFCCVEGCSA-N 274.751 3.730 30 20 CHED C=CCCCCNCc1cccc(O)c1Br 315306364 YYTXNXQTZNYNRO-UHFFFAOYSA-N 284.197 3.601 30 20 CHED C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCC(C)(C)C#N 540715247 OKICHNQTMNEUMR-IRXDYDNUSA-N 299.462 3.521 30 20 CHED C#CCCCCC(=O)Nc1cccc(O[C@@H](C)CC)c1 692858811 YVQAFJMPIDRCOF-AWEZNQCLSA-N 273.376 3.996 30 20 CHED CC(F)(F)C1(C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 692850761 JGFZKKLWGMTEFE-UHFFFAOYSA-N 284.693 3.586 30 20 CHED C=C(C)CCNCc1ccc(OC(F)F)c(OCC)c1 395335965 VCTDWLHINNMFAD-UHFFFAOYSA-N 285.334 3.743 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cc(F)ccc1O 398144525 BEKXTMMXJGMVAS-VXGBXAGGSA-N 251.345 3.927 30 20 CHED C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1cccc(C#N)c1 424144093 RQFDIANQJYIIQF-DQYPLSBCSA-N 254.377 3.645 30 20 CHED CCc1cccc(N[C@H](C)C(=O)Nc2ccccc2C#N)c1 7240959 LFPPNHSGOFJMGX-CYBMUJFWSA-N 293.370 3.560 30 20 CHED CCSc1nnc(SCc2ccc(C#N)cc2)s1 10025582 MFJZDAAHSBOXFB-UHFFFAOYSA-N 293.442 3.814 30 20 CHED C=CCN(CC=C)C(=O)c1oc2ccccc2c1C 57025819 ANJOTMMOHDQXPF-UHFFFAOYSA-N 255.317 3.555 30 20 CHED N#Cc1ccc(OCc2nc(Cl)ccc2Cl)cc1F 133999490 OMCCPQQJHSTQNP-UHFFFAOYSA-N 297.116 3.978 30 20 CHED Cc1cc(C(F)(F)F)c(C#N)c(SCC(F)F)n1 106405060 RCHBQNLKRDWKOJ-UHFFFAOYSA-N 282.237 3.638 30 20 CHED Cc1ccc2cc(C(=O)N[C@@H](C#N)C3CCCCC3)[nH]c2c1 176612246 ARKRCVJSRJGATK-KRWDZBQOSA-N 295.386 3.679 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(OC(F)(F)F)cc1 119367023 HSVHYGDPDIRDBG-NXEZZACHSA-N 259.271 3.810 30 20 CHED N#Cc1c(F)cccc1OCc1ccc(F)c(F)c1 115350994 DMYGAXALUUWUKK-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCCCCc1cccs1 67300991 DTSUNBOHWOGECM-CYBMUJFWSA-N 278.421 3.612 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1N1CCCCC1 116997200 WIMCBRFGVNMHTB-CQSZACIVSA-N 287.407 3.763 30 20 CHED Cc1oc2ccccc2c1/C=C1\CCc2c(cnn2C)C1=O 179407237 SKSVRKTVMJQKNR-FMIVXFBMSA-N 292.338 3.687 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 115202497 GUDBAPYLEDPPFX-OAHLLOKOSA-N 276.339 3.617 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@H]2OC(F)F)cc1Cl 409522451 PJLJACUFFKKDTD-VXGBXAGGSA-N 286.709 3.784 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1nc2ccccc2n1C 175911368 FSDXZXYCFUGLBM-LBPRGKRZSA-N 272.348 3.534 30 20 CHED N#Cc1cc(Sc2ccccc2Br)ccn1 61815522 JRSQVCWGHXFVEH-UHFFFAOYSA-N 291.173 3.867 30 20 CHED Cc1cccc(NC(=O)CSc2ccccc2C#N)c1C 173716908 IBVVFZVFJLXFNO-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)c1cccc(CC#N)c1 178103275 RNGOAWBLTZUCDI-QGZVFWFLSA-N 284.403 3.793 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1occc1C 302798058 BHSATYAFDARGQA-UHFFFAOYSA-N 272.300 3.544 30 20 CHED CC[C@H](NC(=O)Cc1ccc(C#N)cc1)C1CCCCC1 110510841 WCTRIXRTAOTCQD-KRWDZBQOSA-N 284.403 3.576 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(-c2cccs2)nc1C 183852938 DWEHASDQRPDWKU-GFCCVEGCSA-N 299.399 3.541 30 20 CHED CC(C)(C#N)COC(=O)c1ccc2ccccc2c1 180090182 IQWHONOHWJSVDT-UHFFFAOYSA-N 253.301 3.546 30 20 CHED CCC[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCO1 301842771 QRMAWKBOJPXQIW-GFCCVEGCSA-N 298.308 3.582 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(-c2ccccc2)[nH]1 171833992 JLOPREDGKFOBPC-UHFFFAOYSA-N 268.360 3.720 30 20 CHED N#Cc1nccnc1Nc1ccc(NCC2CCCC2)cc1 68901519 SFQFVKVZJZUDNL-UHFFFAOYSA-N 293.374 3.694 30 20 CHED N#Cc1ccc(OCCCCC(F)(F)F)c(F)c1 120278192 ZNWNMFCCGFQDNM-UHFFFAOYSA-N 261.218 3.809 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1CCC(C)C 120327451 PRHFLSUFVLAVKE-UONOGXRCSA-N 252.402 3.561 30 20 CHED N#Cc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1 39203928 GFJJAJGHEPQGHH-UHFFFAOYSA-N 292.357 3.987 30 20 CHED CC(C)Oc1ccccc1CC(=O)Nc1ccc(C#N)cc1 121623138 QLURLSGPOJIGMD-UHFFFAOYSA-N 294.354 3.527 30 20 CHED CCSCc1cccc(Nc2ncccc2C#N)c1 301545588 PGXRAMFWLRNZHW-UHFFFAOYSA-N 269.373 3.950 30 20 CHED C=CCC[C@H](Nc1ccn(CCc2ccncc2)n1)C1CC1 182473288 DQEVGWUXZYOVTM-KRWDZBQOSA-N 296.418 3.678 30 20 CHED CCCCN(C(=O)NC[C@@H](C)C#N)[C@@H](C)c1ccccc1 182765547 MOZPDICRVUUNFK-GJZGRUSLSA-N 287.407 3.719 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](C)c1ccccc1F 185210268 ZKTPSLKCGAKUSF-ZDUSSCGKSA-N 261.340 3.539 30 20 CHED C[C@@H]1CCCC[C@H]1NCc1ccc(N(C)CCC#N)cc1 72659600 ALJDFNYGZWAEJH-CRAIPNDOSA-N 285.435 3.705 30 20 CHED N#Cc1ccc(SCCO[C@@H]2CCCCO2)c(Cl)c1 187692739 BWKMXADPGVSTHZ-CQSZACIVSA-N 297.807 3.847 30 20 CHED C[C@@H](NC1(Cc2ccccc2)CC1)c1cccc(C#N)c1 186575694 PDFOFJMRFKGECF-OAHLLOKOSA-N 276.383 3.984 30 20 CHED C=CCCCC[C@H](C)NC[C@H](CO)c1ccc(F)cc1 414288280 LHZPRVCYXAEHAZ-GOEBONIOSA-N 279.399 3.626 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)cc1 213637219 BBECTEJMVJPQHC-XGICHPGQSA-N 296.322 3.680 30 20 CHED N#CC1(COC(=O)c2ccnc3ccccc23)CCCCC1 183703335 VMWQSPZNCNPYLS-UHFFFAOYSA-N 294.354 3.866 30 20 CHED C=CCC[C@H](NCc1cncn1CC)c1ccccc1 417941563 ARZLSFVPGXXEOW-KRWDZBQOSA-N 269.392 3.700 30 20 CHED C=CCSCCNC(=O)c1ccc(C(C)(C)C)s1 508908858 UGFWJBRKPKJBFF-UHFFFAOYSA-N 283.462 3.695 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cccc2c1OCO2 72614277 VQCMCDXAJYNENH-AATRIKPKSA-N 272.325 3.681 30 20 CHED N#CCC[C@@H](NC(=O)N1CCCC2(CC2)C1)c1ccccc1 185883806 QJLYTGBOWAFVSW-MRXNPFEDSA-N 297.402 3.617 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2ncc[nH]2)c1 188244317 VSBVZFZKJDQTDX-MRXNPFEDSA-N 269.348 3.618 30 20 CHED N#CC1(C(=O)Oc2cccc(C(F)(F)F)c2)CCCC1 70808121 VUZWWTMCRJRCJV-UHFFFAOYSA-N 283.249 3.695 30 20 CHED C=CCOCCCC(=O)NC[C@@H](c1ccccc1)C(C)C 79534331 JPARSPQPCPDFGC-QGZVFWFLSA-N 289.419 3.525 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc(Br)cc2)C1 185799799 LOBDTWMQQPJCTK-JSGCOSHPSA-N 293.208 3.621 30 20 CHED C=CCCN[C@H](c1ccccc1)c1nc2ccccc2n1C 125954571 OHEQPSBAENRMHZ-GOSISDBHSA-N 291.398 3.828 30 20 CHED CC[C@@H](C)CCC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416092443 BSBWFRRWYVHCMH-DYVFJYSZSA-N 284.403 3.878 30 20 CHED C#CCCCCC(=O)OCc1cnc(-c2cccs2)o1 120392224 ZSDBTGAFLMVXKI-UHFFFAOYSA-N 289.356 3.640 30 20 CHED CCCCCCCCC(=O)N(C)c1ncccc1OC 121417234 ZPXRFPHIGNVAFW-UHFFFAOYSA-N 278.396 3.804 30 20 CHED C[C@H]1C[C@@H](C)CCN(Cc2ccc(F)cc2C#N)C1 443648858 GRWATGVUJSCYLM-STQMWFEESA-N 260.356 3.565 30 20 CHED C=C(C)COCCNCc1ccc(SC(F)F)cc1 180959726 HTAPDWGYYPBDKL-UHFFFAOYSA-N 287.375 3.684 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 508251357 WWSOHSJGEBDBCP-GOEBONIOSA-N 285.391 3.895 30 20 CHED C[C@@H]1CCCC[C@H]1CN(CCC#N)Cc1ccccn1 183048117 ADFSDEMQVZKGNT-CVEARBPZSA-N 271.408 3.624 30 20 CHED C=C(C)CN(C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 180385096 WOGMBAAPGFIGBF-ZDUSSCGKSA-N 285.309 3.757 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)n(C)n1 210524061 UMYPNLNPNUSYOD-YVMONPNESA-N 294.276 3.643 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(C)oc2C)cc1 72678917 UEHJWFSDRMANNW-UHFFFAOYSA-N 282.343 3.765 30 20 CHED CC1(C)CN(c2ccc(C#N)cn2)C[C@@H]1c1ccccc1 135580461 DSOKPYZVXAAFQY-MRXNPFEDSA-N 277.371 3.583 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 412387855 XBBVAJRPRZUNKV-UONOGXRCSA-N 263.768 3.526 30 20 CHED Cc1[nH]c2ccc(C(=O)[C@H](C#N)c3ccccn3)cc2c1C 41494097 FYEAOPLZMZPIRT-OAHLLOKOSA-N 289.338 3.670 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])s1)c1ccc(C#N)cc1 49065579 YUGCTFGBTIMVHS-VIFPVBQESA-N 273.317 3.701 30 20 CHED CC#CCCSCc1nc2ccccc2nc1C 184928930 HXDYPYBWJYKQQQ-UHFFFAOYSA-N 256.374 3.585 30 20 CHED CN(CCOc1ccccc1Cl)CC(C)(C)CCC#N 506164195 PIJDYJZKXNHZPV-UHFFFAOYSA-N 294.826 3.981 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(F)cc1OCC#N 132912664 NTQOEBJDIIZCRB-CYBMUJFWSA-N 262.328 3.885 30 20 CHED Cc1ncc(/C(O)=N/[C@@H]2CCC[C@H](C)[C@@H]2C)c(C2CC2)n1 329271197 JEJNDPCQMHMJPA-ZIBATOQPSA-N 287.407 3.792 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cc(F)ccc1F 414163909 JLYRFHQDOLGXMJ-JTQLQIEISA-N 252.308 3.555 30 20 CHED C[C@@H](S[C@H](C)c1cccc(C#N)c1)C(=O)NC(C)(C)C 190908753 JRRFMMXDUJUZGA-VXGBXAGGSA-N 290.432 3.656 30 20 CHED C=CCN(Cc1ccc(C#N)s1)Cc1ccccc1F 131232763 UNCIBMUOPATKKQ-UHFFFAOYSA-N 286.375 3.947 30 20 CHED CC[C@@H]1CCC[C@@H]1/N=C(/O)Nc1scnc1C1CC1 328924226 NNYCGGOUZIZJRD-KOLCDFICSA-N 279.409 3.925 30 20 CHED CC[C@@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N 613420478 BBUFTTGNBMJYJU-CYBMUJFWSA-N 257.381 3.630 30 20 CHED Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)c(C)c1 132799575 LFKXEZPVZCPWEG-UHFFFAOYSA-N 286.281 3.706 30 20 CHED Cc1ccc(Cl)c(OC(=O)c2cc(C#N)cs2)c1 83937925 AHZNCZDINMUXEV-UHFFFAOYSA-N 277.732 3.801 30 20 CHED CC[C@@H](C)CNCc1ccc(OC)c(OCCCC#N)c1 421386723 RQJIGUDFFZITMA-CQSZACIVSA-N 290.407 3.513 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCOc1ccc(Cl)cc1 429938421 DSYYRTRMEPOQFP-UHFFFAOYSA-N 295.810 3.780 30 20 CHED Cc1nccc(N=C(O)[C@]2(C)CCc3ccccc3C2)n1 329639688 ZJDLVRMAAOVFDZ-QGZVFWFLSA-N 281.359 3.568 30 20 CHED CC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCCC2 191838620 CHIVJNNOUWXKHH-SNVBAGLBSA-N 276.405 3.873 30 20 CHED CC(C)CN(CCC#N)CC/C=C/c1ccccc1 323442287 SDLZGUXVUJRHGJ-IZZDOVSWSA-N 256.393 3.962 30 20 CHED Cc1ncc(N=C(O)C[C@@H]2CCOc3ccccc32)s1 328770152 GPUXMSVHBDYVBO-NSHDSACASA-N 288.372 3.996 30 20 CHED CC1(C)CC(C(=O)Nc2sc3c(c2C#N)CCCC3)C1 514964564 AIDWRYOXCKSNQK-UHFFFAOYSA-N 288.416 3.873 30 20 CHED CSc1ccccc1C(=O)Nc1cccc(OCC#N)c1 49293596 KLNCORACNJAYBF-UHFFFAOYSA-N 298.367 3.563 30 20 CHED CCN(CC(C)C)c1ccc(C#N)c(Br)c1 228177722 OBEKPAUUTCJMOS-UHFFFAOYSA-N 281.197 3.803 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)c(C)cc1Cl 429345460 NLISPSRSGREQJW-UHFFFAOYSA-N 273.163 3.999 30 20 CHED CC[C@@](C)(CCO)/N=C(/O)c1coc(C2CCCCC2)n1 331107419 JLXIYMYBRMEFOG-INIZCTEOSA-N 294.395 3.578 30 20 CHED CCN(Cc1ccc(C)c(Cl)c1)C[C@@H](C)C#N 193761034 KRHABBAQJVNMAJ-NSHDSACASA-N 250.773 3.630 30 20 CHED C=CC[C@H](C)/N=C(/O)Nc1nc2c(s1)C[C@H](C)CC2 330817846 PEHYGFCDFPLIQP-ZJUUUORDSA-N 279.409 3.558 30 20 CHED C=CCn1cc(CN[C@@H](C)c2ccc(CCCC)cc2)nn1 424299456 VFWYHMWKROHOLM-HNNXBMFYSA-N 298.434 3.658 30 20 CHED N#Cc1cccc(C#N)c1N1CC[C@H](c2ccccc2F)C1 338733115 IFPWZFQPECYWIS-HNNXBMFYSA-N 291.329 3.563 30 20 CHED C[C@H](CNCc1ccc(C#N)c(F)c1)Cc1cccs1 421352864 DRKOZJCAAPGJOE-LBPRGKRZSA-N 288.391 3.727 30 20 CHED CC(=O)Nc1cccc(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)c1C 331091569 WQSLZQGUKBPOSJ-BXUZGUMPSA-N 288.391 3.694 30 20 CHED C=CCSc1ccccc1NC(=O)CN(CC)C(C)C 195527264 WGRDQSKIMDQMCB-UHFFFAOYSA-N 292.448 3.634 30 20 CHED N#CCN1CCC(c2ccc(Cl)cc2Cl)CC1 428727308 HXHWUIXFYFXZEX-UHFFFAOYSA-N 269.175 3.696 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CNCc1ccc(C#N)s1 421354356 WEHCVSIXUSDKGR-IUODEOHRSA-N 260.406 3.702 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CN(CCC#N)Cc1cccnc1 191038913 DYDJHOWAHTUCMA-SJLPKXTDSA-N 283.419 3.790 30 20 CHED CC[C@@H](C)N(C(=O)c1cccc(C#N)c1C)[C@H](C)CC 337791340 CCCMGQFBVPROON-CHWSQXEVSA-N 272.392 3.906 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCC[C@@H](C)C1 425428872 XFRRDSUYWVJJFN-KEYYUXOJSA-N 299.418 3.839 30 20 CHED Cc1ccc2cc(C(=O)N3CCC(CCC#N)CC3)[nH]c2c1 335500294 CXAYEBKUDSPMHP-UHFFFAOYSA-N 295.386 3.632 30 20 CHED N#Cc1ccc(-c2ccc(OC[C@H]3CCCO3)cc2)cc1 512253081 YUTUNSPLKJXCLG-GOSISDBHSA-N 279.339 3.783 30 20 CHED C=CCC[C@H](NC[C@@H](OC)c1ccc(F)cc1)C1CC1 90176716 XFQYSHOKCBYODB-DLBZAZTESA-N 277.383 3.848 30 20 CHED CCc1cccc(CC)c1N/C(O)=N/C[C@]1(C)CCOC1 330768846 YRRGOGREBYCZPF-KRWDZBQOSA-N 290.407 3.564 30 20 CHED Cc1csc(NC(=O)[C@@H]2CCCC[C@@H]2C)c1C#N 425608613 GKUNHOSFUJZJNI-GXSJLCMTSA-N 262.378 3.693 30 20 CHED CO[C@H](C)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 513253007 RTYMESUCXNOZEQ-OAHLLOKOSA-N 294.398 3.692 30 20 CHED C=CCC[C@@H](NC(=O)Nc1cnc(C)nc1)c1ccccc1 435615044 HUDYHUGTJGZVBF-MRXNPFEDSA-N 296.374 3.614 30 20 CHED Cc1nc(C[S@](=O)CCCCC(C)(C)C#N)c(C)s1 436116645 WCRSWPGYUZHDKK-LJQANCHMSA-N 298.477 3.729 30 20 CHED C#CCOc1ccccc1CNc1ccc2ncccc2c1 236690250 ASLBBGMKGQPFFP-UHFFFAOYSA-N 288.350 3.859 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1 49556823 KBMKCKGOKLCGIG-CYBMUJFWSA-N 268.335 3.857 30 20 CHED CCC[C@H](C#N)NC(=O)C(C)(C)CCCc1ccccc1 92004229 VBRADXKVTGZFOY-MRXNPFEDSA-N 286.419 3.844 30 20 CHED CCC(CC)CN(CCC#N)c1ncc(C#N)cc1Cl 339057397 BWQWOFUORLMRIR-UHFFFAOYSA-N 290.798 3.763 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc(C(N)=O)c(C)c1 437245527 QOCYWVPHYRBLAN-CYBMUJFWSA-N 260.381 3.641 30 20 CHED CC#CCCNCc1cc(Cl)cc(C(F)(F)F)c1 437786152 HJJSUEWDLAOZGD-UHFFFAOYSA-N 275.701 3.862 30 20 CHED Cc1nsc(N2Cc3ccccc3C3(CCC3)C2)c1C#N 343256493 ZFBAOMJMKOIVBE-UHFFFAOYSA-N 295.411 3.765 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(C)sn1)c1ccccc1 346400937 YJSDYYPFMYBZSG-CQSZACIVSA-N 286.400 3.889 30 20 CHED CC(C)(C)OC1CCN(Cc2ccc(CC#N)cc2)CC1 343559517 UVFWUZCKFLVKAR-UHFFFAOYSA-N 286.419 3.532 30 20 CHED CN(CCCCN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 248937921 YLVBVQJSZNMJGD-SJORKVTESA-N 285.435 3.575 30 20 CHED CS[C@H](CNc1c(C#N)cccc1C#N)C(C)(C)C 436360829 NVWAJHJQHYUDAY-CYBMUJFWSA-N 273.405 3.620 30 20 CHED C=C[C@H](CC(=O)NCC1(C(F)F)CC1)c1ccccc1 348760371 AEMIOUBANYGLKO-GFCCVEGCSA-N 279.330 3.508 30 20 CHED N#CCc1ccnc(NC(=O)c2cccc(C3CCC3)c2)c1 524180630 HARSZDYAQZXAPL-UHFFFAOYSA-N 291.354 3.667 30 20 CHED CN(Cc1ccc(F)c(Cl)c1)Cc1ccccc1C#N 432794611 TXHMWSZDZVGPIE-UHFFFAOYSA-N 288.753 3.983 30 20 CHED CC1CC(C#N)(C(=O)NCC[C@@H](C)CC(C)(C)C)C1 527201216 JTFIOSRVHANWNV-VEAWUBTESA-N 264.413 3.505 30 20 CHED C=CCCCCNC(=O)Nc1ccc(Cl)c(OC)c1 433619648 UMKSVXWQNCZMEI-UHFFFAOYSA-N 282.771 3.826 30 20 CHED N#CCCn1nc(C(F)(F)F)cc1-c1cccs1 601932896 UCSQCMHFDRHYEX-UHFFFAOYSA-N 271.267 3.544 30 20 CHED N#CCCN(Cc1nc2ccc(F)cc2s1)CC1CC1 432747542 KJRZPFCYBWMKHF-UHFFFAOYSA-N 289.379 3.561 30 20 CHED C=CCC[C@@H](NC(=O)N=c1cc[nH]c(C)c1)c1ccccc1 348842821 BLPAIFFIRUQVNL-QGZVFWFLSA-N 295.386 3.641 30 20 CHED COc1ccc([C@@H](NC[C@@H](C)CCC#N)c2ccco2)cc1 602686348 PLTHPBXZANLIQV-KBXCAEBGSA-N 298.386 3.907 30 20 CHED Cc1ccnc(N(C)Cc2cccc(OC(C)C)c2)c1C#N 343476370 MLWAUUWAIWKDJA-UHFFFAOYSA-N 295.386 3.685 30 20 CHED C=C(C)CN(C)C(=O)c1cnn(C2CCCC2)c1CCC 342659973 MXUMPXNCFKTDQF-UHFFFAOYSA-N 289.423 3.599 30 20 CHED C[C@H](CCC#N)CNCc1ccc(OC(F)(F)F)cc1 602508728 WWVRJJLDPOXRNH-LLVKDONJSA-N 286.297 3.615 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(C)n1 342600632 KLBLKABSMSTCSJ-UHFFFAOYSA-N 259.397 3.542 30 20 CHED CCc1cncc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1 434559150 NCQZYMKRLORXQK-ZDUSSCGKSA-N 299.399 3.714 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1ccc(F)c(C#N)c1 340723028 BYIGUWYXPMEDRV-UHFFFAOYSA-N 296.345 3.750 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc2nc(C)oc2c1 432692071 AVNJCOSJVFENHF-UHFFFAOYSA-N 287.363 3.860 30 20 CHED CN(Cc1ccccc1C(F)(F)F)CC1(CC#N)CC1 602766687 PEEODZPXOAZKRY-UHFFFAOYSA-N 282.309 3.831 30 20 CHED CCN(CCOc1ccc(C#N)cc1)Cc1ccc(C)cc1 521860896 XNEDEZQBEBRWCE-UHFFFAOYSA-N 294.398 3.768 30 20 CHED CCC[C@@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 255398874 ZWVLGOIQDJKNST-JQPIKURYSA-N 282.387 3.610 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)[C@@H]1c1ccco1 602928080 WXMGSEBBDWJRBO-MRXNPFEDSA-N 266.344 3.734 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccsc1)CCO2 254979579 DRPGOJVKVKUQDI-XYOKQWHBSA-N 286.352 3.806 30 20 CHED CS[C@H](C)CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 358403186 NZHVZPBYYDXJIF-MFKMUULPSA-N 296.823 3.553 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H](c1cccs1)n1cccc1 353790350 VQMLCFLMHFGFMF-UONOGXRCSA-N 288.416 3.610 30 20 CHED CCOc1ncccc1CN[C@H](CC)c1ccc(C#N)cc1 447542281 OJXSOCIYKRWSPB-QGZVFWFLSA-N 295.386 3.593 30 20 CHED CCC(CC)[C@@H](CCNC1CCC(C)(C#N)CC1)OC 449211364 UWBQIYJZVADLHS-AQFXKWCLSA-N 280.456 3.890 30 20 CHED C=C(C)CN(C)[C@H]1C[C@H](OCC)C12CCCCC2 607749803 YZUDTWMNBTUWGW-GJZGRUSLSA-N 251.414 3.622 30 20 CHED CC[C@H](C)[C@@H](C)NCCSCc1ccccc1C#N 536856953 IBMKJZMJGJBDQP-UONOGXRCSA-N 276.449 3.816 30 20 CHED C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 269132631 LQUOHJQOAITEEE-LLVKDONJSA-N 291.782 3.866 30 20 CHED C=CCN(CCc1ccco1)Cc1ncc(Cl)s1 351973880 GVFNUAFBQXZPTO-UHFFFAOYSA-N 282.796 3.620 30 20 CHED CC1(C#N)CCC(NCCOC2CCCCCC2)CC1 449142091 NGIZFOPSYWIOCH-UHFFFAOYSA-N 278.440 3.788 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 530879571 FVVUPVANYKCITH-KGLIPLIRSA-N 262.422 3.924 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 267881614 UBBMUAUFNQYRID-SWEABUAFSA-N 294.398 3.796 30 20 CHED CC1(C#N)CN(C(=O)c2cc3c(Cl)cccc3s2)C1 619510320 GTYHBVHUCDAQOF-UHFFFAOYSA-N 290.775 3.540 30 20 CHED N#CCCNCCCCc1ccc(Cl)c(Cl)c1 355123146 AFHMWLOFAZVFQL-UHFFFAOYSA-N 271.191 3.819 30 20 CHED Cc1ccc(CNC(=O)C[C@H](CC#N)c2ccccc2)cc1 353511128 BMLBNNKLLDURSM-SFHVURJKSA-N 292.382 3.699 30 20 CHED C=CCCCCNC(=O)N[C@@H](c1ncc(C)s1)C1CC1 351678343 IPQCRXNDTHHPMQ-CYBMUJFWSA-N 293.436 3.558 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC1CC(c2ccccc2C)C1 449548090 LJMADEHNQSQDOU-UQVLAFNGSA-N 271.404 3.564 30 20 CHED CC[C@H](c1ccc(F)cc1F)N(C)C[C@@H](C)C#N 533406094 JGBYXMHCDKWTSG-IINYFYTJSA-N 252.308 3.507 30 20 CHED CCCN(CC#N)Cc1cnc(CCc2ccccc2)s1 449015645 LHLIFNBQUWFVDN-UHFFFAOYSA-N 299.443 3.664 30 20 CHED C=CCCC1(C(=O)NCc2nc(C(C)C)c(C)s2)CC1 356015393 RXFQLIUXVQQVBR-UHFFFAOYSA-N 292.448 3.938 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(SC)cn2)no1 351243093 ANQKBHGISAMGJF-JTQLQIEISA-N 291.376 3.507 30 20 CHED CC[C@@H](NCc1ccoc1C)c1ccc(C#N)cc1 618566882 OXUVUOBYFLKEAS-MRXNPFEDSA-N 254.333 3.701 30 20 CHED C=C[C@H](CC(=O)N(C)CC(C)(C)C)c1ccccc1 534615291 RBUWAATVNAZYOQ-CQSZACIVSA-N 259.393 3.851 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2cc(F)ccc2C1 614403122 FPUATALTTJDLIJ-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1cc(C)sc1C 185094614 IWTWFDXDKLFKTN-LLVKDONJSA-N 263.406 3.592 30 20 CHED N#Cc1ccc(CN2CCSC[C@H]2C2CC2)c(Cl)c1 451654274 OJRGGMGGGNVXNG-HNNXBMFYSA-N 292.835 3.539 30 20 CHED Cc1ccncc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618802378 JFEDBKBNUKTKGX-SCLBCKFNSA-N 277.371 3.600 30 20 CHED C=CCC1(NC(=O)c2ccc3c(c2)CCCC3=O)CCCC1 619110064 DFVCAZIVKXSOEN-UHFFFAOYSA-N 297.398 3.824 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 618683238 MIJJESPBWLCEPO-ZIAGYGMSSA-N 297.402 3.716 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)[C@@H]2CCCC[C@H]21 614407777 ZIDMNBXAVARMGN-JCGIZDLHSA-N 268.404 3.877 30 20 CHED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 455606729 BGQUIJQOKIUQSA-WMZOPIPTSA-N 299.418 3.524 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)CCCC(F)(F)F 546179155 SOVXQRTWRVFLSW-WDEREUQCSA-N 280.334 3.761 30 20 CHED Cc1ccnc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)c1C#N 273384838 UCHRGPNXJYEAEN-IRXDYDNUSA-N 293.370 3.594 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(C(C)C)c1 454285851 ZVRLAIYUYAPQBE-CVEARBPZSA-N 288.391 3.665 30 20 CHED Cc1c(Cl)cnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1C#N 543205603 BHAHQXKZDPDECW-ITDIGPHOSA-N 289.810 3.930 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)CCC1 456349568 SRCAMOFYOBHLOM-GJZGRUSLSA-N 263.425 3.872 30 20 CHED CC(C)Oc1ccc(Cl)cc1NC(=O)C(C)(C)C#N 362324350 QMNGTXUBYLRJGO-UHFFFAOYSA-N 280.755 3.615 30 20 CHED CCc1cccnc1[C@@H](C)NCc1ccc(C#N)c(F)c1 453386719 PBBVJPMBGGZWIA-GFCCVEGCSA-N 283.350 3.506 30 20 CHED N#Cc1ccc(NCCc2cccnc2)c(C(F)(F)F)c1 361589541 PXPFIERJYCVWNT-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(OCC(=C)C)c1 276189350 WTWPQROCUVOHDC-UHFFFAOYSA-N 274.364 3.681 30 20 CHED FCCCCN1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F 451839035 NBBGSGJWLXANNH-DTWKUNHWSA-N 295.242 3.941 30 20 CHED C=CCCCCNC(=O)N(CC)Cc1cccs1 274534724 FBHCYQXITKYIRC-UHFFFAOYSA-N 266.410 3.636 30 20 CHED CC(C)(C#N)CCCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 450853145 DTWDBUSAURIAFI-XHSDSOJGSA-N 290.451 3.644 30 20 CHED C[C@]1(c2ccccc2)CCCN([C@@H]2CC[C@@H](C#N)C2)C1 278553774 HQTFVJXEOVYAGA-NXHRZFHOSA-N 268.404 3.732 30 20 CHED Cc1ccnc(NC[C@@H]2CSc3ccccc32)c1C#N 450568056 USCOUNKSIWWESN-GFCCVEGCSA-N 281.384 3.563 30 20 CHED Cc1cc(C)cc(C2(c3noc([C@]4(C#N)C[C@@H]4C)n3)CC2)c1 453304097 FREKSZDMHYUYQB-UGSOOPFHSA-N 293.370 3.568 30 20 CHED C=CCCOCC(=O)N(CCC)[C@H]1CCc2ccccc21 620328237 PWRLHHMUHHKQRI-KRWDZBQOSA-N 287.403 3.505 30 20 CHED C=CCCN(C)C(=O)NCc1ccc2cc(OC)ccc2c1 276157871 RAACPEYAQCSWQC-UHFFFAOYSA-N 298.386 3.566 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnn(CCCC)c1C 540553861 OSDVZVHBNCDIOH-CYBMUJFWSA-N 292.427 3.858 30 20 CHED Cc1cccc(C)c1OC[C@H](N[C@@H](C)C#N)C(C)(C)C 464793570 SLYRTRXLVNIABR-GJZGRUSLSA-N 274.408 3.599 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCC[C@H]1C(C)C 466381725 CMYOZMAGFXFAGW-KGLIPLIRSA-N 252.402 3.561 30 20 CHED CC[C@@H](Nc1cc(CCOC)ccn1)c1ccc(C#N)cc1 287747945 ZBOFTWGPUVDXBO-QGZVFWFLSA-N 295.386 3.705 30 20 CHED C=C(C)CCc1noc([C@@H]2CCO[C@H](CCC)C2)n1 285278257 ZIJYCIJXVGELFQ-CHWSQXEVSA-N 264.369 3.641 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)C1 285404375 CRIHDACBYAJLJE-ROUUACIJSA-N 284.403 3.507 30 20 CHED Cc1cc(N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc(C#N)n1 553415787 YAHHOKNGZDXNRA-AUUYWEPGSA-N 291.398 3.892 30 20 CHED C=CCCCCNC(=O)c1ccc2c(c1)CCC=C2 551675774 GRXWTFKDMJKNRB-UHFFFAOYSA-N 255.361 3.732 30 20 CHED C=CCC[C@H](NC[C@@H](C)Cn1ccnc1C)c1ccco1 286017621 JNNMNZXCUGLAMB-ZBFHGGJFSA-N 287.407 3.718 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 465666607 WBVJRDJEKZVJAP-HOCLYGCPSA-N 299.418 3.697 30 20 CHED CCc1onc(C)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 281187601 MHISVBRJWHQTPG-UHFFFAOYSA-N 297.358 3.599 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2ccc(F)c(C#N)c2)c1 551644732 UBEZSYHSCUFBMW-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(C#N)cc(C)c1OCCCC1(C#N)CCOCC1 281469352 VWPGDBPZYOBOHL-UHFFFAOYSA-N 298.386 3.655 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)c1cccs1 281376991 OBVSQQAQMVFSMS-RYUDHWBXSA-N 266.410 3.805 30 20 CHED C=C(C)CN(C)C(=O)CCc1ccc(Cl)c(Cl)c1 479274200 JBXVYPDZQHROFX-UHFFFAOYSA-N 286.202 3.961 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](C)c1ccccc1Cl 809936012 VDENOXFYTXUEEG-CYBMUJFWSA-N 297.785 3.741 30 20 CHED N#CCCCCCC(=O)OC/C=C\c1ccccc1 805696114 WGLWPARYUUBBEH-FLIBITNWSA-N 257.333 3.717 30 20 CHED COCCCCCOc1c(C#N)cnc2ccc(C)cc12 291587817 HCBYWTQEFJSJCW-UHFFFAOYSA-N 284.359 3.610 30 20 CHED C=CCCCCN[C@H]1CCN(C)[C@H](c2ccccc2)C1 551174891 HPMCYYFRWSKRNQ-ROUUACIJSA-N 272.436 3.768 30 20 CHED Cc1c(C(=O)N2CC[C@H](C)[C@H]2C)sc2ccc(C#N)cc12 551705660 IJMVWSIKKHOKQF-CMPLNLGQSA-N 298.411 3.952 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1c(F)cccc1Cl 294268561 GQPYHJXQDWLQMX-UHFFFAOYSA-N 269.747 3.650 30 20 CHED CC(C)C[C@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 476139630 HHTWPOIYXXWCGA-SJLPKXTDSA-N 298.430 3.969 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F 297669006 GEORGQCRESLLPP-UHFFFAOYSA-N 280.299 3.583 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 294182075 NQUIMXAWFOYGJF-RDJZCZTQSA-N 299.414 3.721 30 20 CHED C=C(CNC(=O)Nc1ccc(Cl)nc1)c1ccccc1 806226067 GCCBRAXSUKFLQP-UHFFFAOYSA-N 287.750 3.570 30 20 CHED C=CCCCCCCNC(=O)c1cc(OC)cc(OC)c1 805218214 UXWBJLIARKSPOR-UHFFFAOYSA-N 291.391 3.570 30 20 CHED Cc1cc(C(C)(C)C)cc(C)c1Cn1nc(C)c(C#N)c1N 471295538 GTDNVTVFJPJVEZ-UHFFFAOYSA-N 296.418 3.608 30 20 CHED N#Cc1ccc(=N[C@@H]2CCCC[C@@H]2Cc2ccccc2)[nH]c1 476497825 WWSKIAYEYJFMQD-QZTJIDSGSA-N 291.398 3.589 30 20 CHED C=CCCCCNC(=O)CCc1cncc2ccccc12 471717022 OZFQERRFWQEXLZ-UHFFFAOYSA-N 282.387 3.640 30 20 CHED C=CCCCCNc1cccc(C(=O)N2CCCC2)c1 563861056 APGLEBMXXHBNHT-UHFFFAOYSA-N 272.392 3.691 30 20 CHED C=CCC1(C(=O)NCCc2nc(C)cs2)CCCCC1 648127555 KUSHZLXMAWWPBE-UHFFFAOYSA-N 292.448 3.637 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2/C=C/c2ccccc2)nc1 568103762 KCLNELFSGJTWTQ-SINXNMPMSA-N 289.382 3.631 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCN(c2ncccc2F)C1 562654382 FUQCCMJIXBWGJF-GJZGRUSLSA-N 291.414 3.524 30 20 CHED Cc1csc(NC(=O)N(CCC(C)C)C2CC2)c1C#N 569499709 FXXYSAXMGIOYOD-UHFFFAOYSA-N 291.420 3.971 30 20 CHED CC[C@H](CC1CCCC1)C(=O)OCCCSCC#N 805454680 OKZRKMIUQLAEHL-CQSZACIVSA-N 283.437 3.783 30 20 CHED Cc1csc(NC(=O)N2CC[C@@H](C)C[C@H]2C)c1C#N 565488456 KEJGGXVYFCTCBV-MWLCHTKSSA-N 277.393 3.581 30 20 CHED C=CCN(C(=O)c1cnc2n1[C@H](C)CCC2)c1ccccc1 649571533 NNTHPSYBULMHOX-CQSZACIVSA-N 295.386 3.613 30 20 CHED C=CCOc1ccc(/C=C/c2ncccc2C#N)cc1 486103269 QKJIGLZDDYEZOH-JXMROGBWSA-N 262.312 3.688 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CC(C)(C)C1 814922197 YYYVGOGYSSGDHJ-UHFFFAOYSA-N 266.776 3.841 30 20 CHED C=CCCCCCCCNC(=O)N(C)Cc1ccco1 811927821 PQUNIQUINNDBCV-UHFFFAOYSA-N 278.396 3.948 30 20 CHED C=CCC(F)(F)C(=O)N1CCCc2c(C)cc(C)cc21 815314653 BOOZXONPJPHHPH-UHFFFAOYSA-N 279.330 3.794 30 20 CHED C[C@@H](CN(C)Cc1ccc(C#N)c(F)c1)c1ccccc1 483590795 IHWYQTLZLGRLHC-AWEZNQCLSA-N 282.362 3.933 30 20 CHED C[C@H](CSc1ncc([N+](=O)[O-])cc1C#N)c1ccccc1 480386997 TVIKIPFNKGWNOK-LLVKDONJSA-N 299.355 3.757 30 20 CHED Cn1cc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1C#N 486866728 OCMZKXUZWONRBZ-QZTJIDSGSA-N 293.414 3.713 30 20 CHED C=CCCC[C@@H](C)NC[C@@H](O)c1ccc(Cl)c(F)c1 819209903 NQUIVFUDHFGTNK-IAQYHMDHSA-N 285.790 3.847 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C2CC2)c1 563895026 PHDBBQVPROZBMN-UHFFFAOYSA-N 290.366 3.708 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NNC2CCCCC2)C1 814910159 RXVRDOWFYVCZQM-CQSZACIVSA-N 294.439 3.798 30 20 CHED C=CCCC[C@H](C)NCc1cc(C(OC)OC)ccc1F 818200759 BMJPNROQNMAIGI-ZDUSSCGKSA-N 295.398 3.952 30 20 CHED Cc1cc(C)cc(NN=Cc2nc3c(s2)CCC3)c1 814753672 UZFQNUUKRYERFD-UHFFFAOYSA-N 271.389 3.695 30 20 CHED C[C@@H](NCC1(C#N)CC1)C1(c2ccccc2)CCCC1 481845858 WXMYQKPVNMVSDB-OAHLLOKOSA-N 268.404 3.780 30 20 CHED C=CCCCCCSc1nc(C(=O)OC)cs1 814794453 HKKYCDFRGZKANX-UHFFFAOYSA-N 271.407 3.768 30 20 CHED Cl/C=C\CON=Cc1c(Cl)ccc2cccnc12 811671580 TWWDCRDIJOZHGK-NIXSMLNXSA-N 281.142 3.991 30 20 CHED C=CCCC[C@H](C)NC[C@H](O)c1ccc(F)cc1Cl 819210204 ULIPAARZTWNDIZ-NHYWBVRUSA-N 285.790 3.847 30 20 CHED C=CCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)CCC 574003719 KQDXBJPZAOEFFJ-LBPRGKRZSA-N 288.395 3.657 30 20 CHED CCCN(CC(C)C)C(=O)Nc1ccc(F)c(C#N)c1 481738242 GJDBHOJELSXGNQ-UHFFFAOYSA-N 277.343 3.597 30 20 CHED CC1(C)CC(=NOCCC(F)(F)F)c2sccc2O1 814909405 IENHMTIAFRMXBY-UHFFFAOYSA-N 293.310 3.982 30 20 CHED C=CC[C@H]1N(C(=O)Nc2cccc(C#N)n2)CCCC1(C)C 570513446 YHKMBWUVHHRIGM-CQSZACIVSA-N 298.390 3.552 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@H](C)c1ccc(F)cc1F 578422479 LFXXCTATOYOZEI-LBPRGKRZSA-N 294.345 3.609 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(F)cc(F)c1OC 488920423 QMNMQLWDEUZROV-LLVKDONJSA-N 296.317 3.546 30 20 CHED N#Cc1ccc(C(=O)OC[C@H]2CCCc3ccccc32)cc1 729219920 TZHZFWRTHYJKIN-QGZVFWFLSA-N 291.350 3.835 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3cncc(F)c3)c2c1 488302422 VMHXRWQCNLQCNZ-UHFFFAOYSA-N 293.301 3.528 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C)c(C(C)=O)c1 654189395 LEKVAANUDAHKLO-UHFFFAOYSA-N 271.360 3.905 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(CC)cc1 485564983 AOPCYNDWQPPTGW-HNNXBMFYSA-N 258.365 3.821 30 20 CHED Cc1cccc(C[C@@H](NCC2(C#N)CCC2)C2CC2)c1 828802881 SUDOQMDFNQEOEM-QGZVFWFLSA-N 268.404 3.600 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CCC(C)(F)F)cc1 726940488 LKKDKGVOILEDMR-UHFFFAOYSA-N 280.318 3.677 30 20 CHED N#Cc1cccc(C2(NCc3ccc(F)c(F)c3)CC2)c1 578992916 QNCIPVDYIFVNOV-UHFFFAOYSA-N 284.309 3.615 30 20 CHED C#CCN(C(=O)N[C@H](CC)c1ccc(Cl)s1)C1CC1 491807682 CRZGWMQTHHERHS-LLVKDONJSA-N 296.823 3.660 30 20 CHED CCC[C@@H](/N=C\c1cc(OC)ccc1O)c1ccccn1 729148544 BPIHIDQSNSMHKJ-VUFYJBQKSA-N 284.359 3.756 30 20 CHED CC1=C(C)C[C@@H](C(=O)OCCCC(C)(C)C#N)CC1 829814982 DGCQPFLOFFXVGD-AWEZNQCLSA-N 263.381 3.996 30 20 CHED C=CCCNC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 661570755 KHTAXIZNHJCDKC-NSHDSACASA-N 289.404 3.575 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@H]2CCCC(C)(C)C2)no1 571783154 QQCWWLVBRWPYNO-ZDUSSCGKSA-N 296.374 3.996 30 20 CHED CC(C)c1ccc2cc(C(=O)N(C)[C@H](C)CC#N)[nH]c2c1 728874067 MOVVVOQYNMBNHV-GFCCVEGCSA-N 283.375 3.665 30 20 CHED CCCC[C@@H]1CCC[C@@H]1/N=C/c1ccc(O)c(O)c1O 727781877 ZHQOQWKIQRUCSM-MCQMGMOMSA-N 277.364 3.581 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccccc1)C1CCCC1 822807299 SDJIDNGYCLHDJP-GOSISDBHSA-N 269.388 3.694 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1cccc(F)c1 588618241 JGUJHDLMYZALBM-HJWRWDBZSA-N 251.260 3.593 30 20 CHED Cc1ccc(C=NNc2cnc3ccccc3n2)cc1F 731486955 GZRVXQQIRONCID-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C#CCCCCCC(=O)O[C@H](C(=O)C1CC1)c1ccccc1 820504786 FWYKNYCJMGFSQC-IBGZPJMESA-N 298.382 3.834 30 20 CHED C=CCn1cccc1C(=O)N(CCCCC)C(C)C 490099917 VKNDKSKCLBMCOM-UHFFFAOYSA-N 262.397 3.715 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc(C(F)(F)F)cn1 903018035 VXVXEZATVXBAMF-SNVBAGLBSA-N 285.313 3.691 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc(-c3ccccc3C)no2)C1 661376418 BUBKIWQWDZQRQR-OAHLLOKOSA-N 297.402 3.833 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](CC)C1CCOCC1 666238544 LJWDYSZKUXYOEZ-OALUTQOASA-N 287.447 3.969 30 20 CHED CCC[C@@H](C#N)NC(=O)c1c(OCC)ccc2ccccc12 904061405 ZJXOKPCCXPRHRH-AWEZNQCLSA-N 296.370 3.661 30 20 CHED C=CCCCCCN(C)c1snc(Cl)c1C#N 739898714 BMPJLQWALXBICG-UHFFFAOYSA-N 269.801 3.851 30 20 CHED C=C(Br)COC(=O)C[C@@H](C)c1ccccc1C 734909279 UESRMOMXUSPEAN-LLVKDONJSA-N 297.192 3.940 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc(Cl)s2)cc1 839382219 RTBGBXJPEMYUIA-UHFFFAOYSA-N 281.724 3.756 30 20 CHED CC[C@](C)(C#N)NC(=O)c1sc2cc(F)ccc2c1C 584804573 VDAONSBAQUSRLC-OAHLLOKOSA-N 290.363 3.771 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C#CC(C)(C)C)C1 837439535 HRWFQYVJKDGTLA-CZUORRHYSA-N 287.378 3.785 30 20 CHED C=CC(C)(C)C(=O)Oc1cc(OC)ccc1Br 839340921 KSTRXTLVBLLVFM-UHFFFAOYSA-N 299.164 3.575 30 20 CHED CC(=NNc1ccc(Cl)c(C)c1)c1cn(C)c(C)n1 905508674 JFBJRFHXOOVDIC-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CC[C@H](Nc1ccc(C)nc1)c1cccc(C#N)c1 902919976 RUHDRFXDGAEXKQ-INIZCTEOSA-N 251.333 3.825 30 20 CHED Cc1ccncc1[C@@H](C)NCC#Cc1ccc(Cl)cc1 679941314 XALSEDXYLZYGSS-CQSZACIVSA-N 284.790 3.746 30 20 CHED C[C@H](C(=O)OCc1ccc(C#N)cc1F)c1ccsc1 738832748 GDMGHRQXXJXYRE-JTQLQIEISA-N 289.331 3.606 30 20 CHED C=C(Cl)CSCc1ccc(-n2cccn2)cc1 913396095 IYRALDVPNCISOR-UHFFFAOYSA-N 264.781 3.858 30 20 CHED CC(=NOCc1ccccc1)c1ccc(OCC#N)cc1 839419356 CLYMPVKAWULIEQ-UHFFFAOYSA-N 280.327 3.530 30 20 CHED C=C(Cl)COC(=O)[C@H](C)Oc1cc(C)ccc1Cl 917307361 GLWXWCGAJNPSTP-JTQLQIEISA-N 289.158 3.711 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C/c1cccc(OC)c1O 915113239 RYMSQZVYNVQMEU-MVCPHERQSA-N 261.365 3.789 30 20 CHED C[C@H](C#N)CNN=C1CCC[C@@H]1Cc1ccc(Cl)cc1 834965361 NRPMSILJUVFOIS-TZMCWYRMSA-N 289.810 3.788 30 20 CHED C=CC(C)(C)C(=O)O[C@H]1CCO[C@H](c2ccc(C)cc2)C1 835251862 JMPFZAPUVKCVKL-HOTGVXAUSA-N 288.387 3.971 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[C@@H]1c1ccccc1 595629451 WRQSMKAEVOYNBY-HZPDHXFCSA-N 299.418 3.562 30 20 CHED CCc1nc(C(C)C)ccc1CN(C1CC1)[C@@H](C)C#N 595710696 UIKDIEBZFMQXDU-ZDUSSCGKSA-N 271.408 3.644 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)c1ccc(Cl)cc1 835084224 CNQXERWZYZJUNA-HONMWMINSA-N 280.751 3.535 30 20 CHED CC1CCC(=NNCc2cccc3cccnc23)CC1 915959519 OLTCLCJXKLFRJJ-UHFFFAOYSA-N 267.376 3.891 30 20 CHED CC(CSC(C)(C)C)=NOCc1cccnc1 746588035 JBBDMBXNBRGFGB-UHFFFAOYSA-N 252.383 3.506 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@](C)(C#N)CC(C)C)CC1 592606848 AORRCXZJMJWEEC-ZBFHGGJFSA-N 262.397 3.567 30 20 CHED C[C@@H](C=NNc1cccc([N+](=O)[O-])c1)c1ccccc1 916268870 BQGYZWGJZZTKTI-LBPRGKRZSA-N 269.304 3.796 30 20 CHED CCCCC[C@H](C)CC(=O)N(CC)C[C@H](C)C#N 742548580 LNFVHFAYHIWNNT-UONOGXRCSA-N 252.402 3.601 30 20 CHED CCC(=NNc1oc(CC(C)C)nc1C#N)c1ccccc1 745613927 RCWRKRDTYQJSDY-UHFFFAOYSA-N 296.374 3.971 30 20 CHED CC(C)(C#N)C[C@H](O)CN1CCCC2(CCCCCC2)C1 598591984 DEAUJJUTORZNCK-INIZCTEOSA-N 292.467 3.724 30 20 CHED C=CCOc1ccc(OC(=O)[C@H]2CCC[C@H](C)C2)cc1 742860673 CMZJTFDEELIGOX-KBPBESRZSA-N 274.360 3.983 30 20 CHED C#CCOc1ccccc1CNCC(=C)c1ccccc1 742718162 LJBNNZZNAZGEEA-UHFFFAOYSA-N 277.367 3.502 30 20 CHED CC1=CC(=NNc2cncc(Cl)n2)CC(C)(C)C1 914559957 KTSOPLNKUDRPDZ-UHFFFAOYSA-N 264.760 3.664 30 20 CHED CC1(C)C[C@]1(C)NCc1cccc(OCCCC#N)c1 594996993 QPCHPHLIELHZSM-KRWDZBQOSA-N 272.392 3.647 30 20 CHED CCCCCC[C@@H](C)NN=C(CC)[C@H]1CCOC1 743450733 PAJLZDPKXLMFIS-KGLIPLIRSA-N 254.418 3.737 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1c1cccc(C)c1C 743620244 GDEBHEIRNQWRQQ-HNNXBMFYSA-N 292.810 3.902 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(-c3ccc(F)cc3)no2)C1 595610987 FNKICFCNFLLNJE-ZDUSSCGKSA-N 299.349 3.606 30 20 CHED N#Cc1ncccc1SCC[C@@H]1CC1(Cl)Cl 848439826 ZXQMYOHBUOJJGQ-MRVPVSSYSA-N 273.188 3.629 30 20 CHED CC[C@H](C)c1ccc(NC(=N)NCCCCC#N)cc1 849003218 XBLMQKMBCLBUBM-ZDUSSCGKSA-N 272.396 3.830 30 20 CHED CCCCCCCCOCC(=O)N[C@@H]1CCC[C@H]1C 741559235 IEKARRFQAXOFKQ-HUUCEWRRSA-N 269.429 3.668 30 20 CHED C=CCCCCN1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 599583261 QVTBLPUZHDKIEQ-HUUCEWRRSA-N 281.440 3.642 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC2(CCC2)CC1 594027530 QURVVKCCMPDKJQ-HNNXBMFYSA-N 296.414 3.530 30 20 CHED CCCCCCCCC[S@](=O)Cc1cc2n(n1)CCC2 844655587 MAEYXPBZYIJLAP-FQEVSTJZSA-N 296.480 3.829 30 20 CHED Cc1ccc(C(C)C)c(OCC(=O)OCCCCC#N)c1 912957516 BITKIKBHMQPGQQ-UHFFFAOYSA-N 289.375 3.734 30 20 CHED Cc1cncc(-c2cc(CC#N)ccc2OC(C)C)c1 596638715 BLJYMWRCVVBAIU-UHFFFAOYSA-N 266.344 3.910 30 20 CHED C#CCCCNC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 745900072 WEQPSHWCHUHIMJ-FUHWJXTLSA-N 298.430 3.891 30 20 CHED C[C@@H]1CC(=NNc2cnccn2)C[C@H](c2ccccc2)C1 749857957 ITNUOPWXDYFQKL-DZGCQCFKSA-N 280.375 3.848 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ncccc2Cl)o1 917546480 NVMIVWGNMAKHAF-MWLCHTKSSA-N 275.739 3.897 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)[C@H]1CCOC1 741762740 NBRJKWRDXANZBD-VIFPVBQESA-N 273.163 3.818 30 20 CHED Cc1ccc(C=NNc2nc3ccccc3[nH]2)cc1C 915937594 RCEDCIGCJUHAQM-UHFFFAOYSA-N 264.332 3.626 30 20 CHED Cc1ccc(CC(=NOCc2cccnc2)C2CC2)cc1 746587281 MIILGQPGYVCBTL-UHFFFAOYSA-N 280.371 3.915 30 20 CHED COc1cccc(/C=N\C[C@H]2CCCCC2(F)F)c1O 840708001 TWZKPOBOYFODDG-HALGXTDHSA-N 283.318 3.645 30 20 CHED COCCOCc1cccc(-c2ccc(CC#N)s2)c1 592984986 DKRCYSPRMVEDIN-UHFFFAOYSA-N 287.384 3.644 30 20 CHED C[C@@H](SCC1(C#N)CCCC1)C(=O)OC(C)(C)C 917626412 XHKCBNDICWLPKX-LLVKDONJSA-N 269.410 3.534 30 20 CHED CCCCCCCCNC(=O)Nc1ccc(OC)c(N)c1 841261444 HDMHZLIXVXKIHR-UHFFFAOYSA-N 293.411 3.759 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2F)[C@H]1c1ccccc1 591141824 AUOHLXANAFYYFW-HNNXBMFYSA-N 281.334 3.680 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 596660315 YOIHYDJOEYMXRU-OAHLLOKOSA-N 283.375 3.573 30 20 CHED CC(C)(CCC#N)CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 597661884 UCVNBWYOEQSSFL-ZIAGYGMSSA-N 276.424 3.649 30 20 CHED Fc1ccc2[nH]cc(C=NOCc3ccccc3)c2c1 747046854 JWQSZTQFUFCJQB-UHFFFAOYSA-N 268.291 3.858 30 20 CHED N#CC1(CSCC(=O)NC2CCCCCCC2)CCC1 842193092 DLLXHLDEKFVFHK-UHFFFAOYSA-N 294.464 3.643 30 20 CHED C#Cc1cccc(N(CC)C[C@@H]2CC2(Cl)Cl)c1 749258956 ZXWGVDUNBJTFFY-LBPRGKRZSA-N 268.187 3.688 30 20 CHED Oc1ccccc1/C=N/Cc1sccc1Br 746682601 DNPLCHFRTOWYGQ-VGOFMYFVSA-N 296.189 3.835 30 20 CHED Cc1cccc2c1OC/C(=C1\COc3ccc(F)cc31)C2=O 920067471 ZPWLQMBGQUIURE-PFONDFGASA-N 296.297 3.555 30 20 CHED C=C(C)CN=[S@@](=O)(c1ccc(F)cc1)C(F)(F)F 853725322 PFGFFBPDFZJLPZ-GOSISDBHSA-N 281.274 3.749 30 20 CHED Cc1ccc(CCCC(=O)N(CCC#N)CC(C)C)s1 750845463 KGVYNDBEQYPYRH-UHFFFAOYSA-N 292.448 3.778 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccc(C#N)cc1 755651659 KJHWJWDCAWYGBO-UHFFFAOYSA-N 295.390 3.573 30 20 CHED Brc1cncc(NN=C2CC3(CCC3)C2)c1 758120665 UREKEWGTGXSVKO-UHFFFAOYSA-N 280.169 3.576 30 20 CHED C=CCC1(NC(=O)Nc2ccc(N)c(C)c2)CCCCC1 850769076 GUZJBKNDBQENRJ-UHFFFAOYSA-N 287.407 3.978 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1CCc2c(OC)cccc21 759641704 FZIMRGFDSIUGMX-BKQORJHRSA-N 297.354 3.516 30 20 CHED C#CCCCC(=O)OCc1cc(Cl)ccc1Cl 759082330 AQIGZTWGWIXNCI-UHFFFAOYSA-N 271.143 3.840 30 20 CHED N#CC1(CC(=O)OCc2scnc2Cl)CCCCC1 857058533 POXHEUFKAMDNOT-UHFFFAOYSA-N 298.795 3.704 30 20 CHED C=C(Cl)CSCCC(=O)Nc1cccc(OC)c1 853783650 ONMZENOEVKTOMO-UHFFFAOYSA-N 285.796 3.510 30 20 CHED CCCCCCCNC(=O)N1CC2(CCOCC2)C[C@@H]1C 858114541 MSBSOFHILRXZKZ-HNNXBMFYSA-N 296.455 3.557 30 20 CHED C(=NNc1nc2ccccc2[nH]1)c1ccccc1C1CC1 751131917 VFQRZXQKYAWCIG-UHFFFAOYSA-N 276.343 3.886 30 20 CHED CCSc1ccccc1C(=O)Nc1cc(C#N)ccc1O 759716795 CYCQCDBPNLFHEE-UHFFFAOYSA-N 298.367 3.628 30 20 CHED C=CC(C)(C)CCOC(=O)CCc1csc(C)n1 851299730 WYSNJDDVUIBLII-UHFFFAOYSA-N 267.394 3.530 30 20 CHED C=C1CCN(C(=O)Nc2c(CC)cccc2CC)CC1 929215670 PREKWBSBTAPICS-UHFFFAOYSA-N 272.392 3.995 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ccc(C)cn1 851141784 DBYJPLMEQUSMDX-UKRRQHHQSA-N 259.349 3.682 30 20 CHED Cc1cccc(C)c1/C=C/C(=O)c1cccc(O)c1 755578531 FLDSOVKZTNPJRO-MDZDMXLPSA-N 252.313 3.905 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)OCC2(CC#N)CC2)CC1 753557951 KCBUBZCYNWPWSL-HDJSIYSDSA-N 263.381 3.686 30 20 CHED CS/C=C\C(=O)Nc1ccccc1S[C@@H](C)CC#N 751579258 MRSUNIADMGDIAF-IEHMKBBKSA-N 292.429 3.896 30 20 CHED CC(CCc1ccccc1F)=NO[C@@H]1CCCCO1 755818330 BYBQREFLMPKDDF-OAHLLOKOSA-N 265.328 3.677 30 20 CHED C=CCCONC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 856032552 QSZITUCXCNYJPR-DLBZAZTESA-N 281.355 3.567 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(N)cc1 750939199 YDJXXFUNCHIOGI-UHFFFAOYSA-N 257.312 3.552 30 20 CHED CC(C)(C)[C@H]1CCN1c1ccc(C#N)c(Br)c1 1458708856 MGFDIRUIZQWESR-CYBMUJFWSA-N 293.208 3.946 30 20 CHED N#CC1(C(=O)O[C@@H]2CCc3cc(Cl)ccc32)CCCC1 860976530 XKHQHRBXSYTXHM-CQSZACIVSA-N 289.762 3.954 30 20 CHED C=C(C)C[C@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)O 864529061 CGGRMJKQCVGEFE-INIZCTEOSA-N 299.370 3.764 30 20 CHED Cc1ccc(Br)c(C(=O)OCCCCC#N)c1 764194617 AIOHBFUYSUDLOB-UHFFFAOYSA-N 296.164 3.608 30 20 CHED C=CCN(C(=O)c1cccc2ccsc12)C(C)C 767058636 XYSIBOGYJJHLIC-UHFFFAOYSA-N 259.374 3.938 30 20 CHED COc1ccsc1C(C)=NNc1cccc(F)c1 769779266 BFAPPIDNWQCRMA-UHFFFAOYSA-N 264.325 3.732 30 20 CHED CCC(CC)[C@H](C)C(=O)Oc1ccc(C#N)c(OC)c1 767167676 WDKICHPYIMGHMR-NSHDSACASA-N 275.348 3.545 30 20 CHED Cc1cc(C)nc(NN=CCc2ccc(F)cc2Cl)n1 766424616 NRCOSIMDEFGFJN-UHFFFAOYSA-N 292.745 3.526 30 20 CHED CCC(CC)(CC)S[C@H](C(N)=O)c1ccc(C#N)cc1 762972511 XYGILNYMGSVUEL-AWEZNQCLSA-N 290.432 3.787 30 20 CHED Fc1cccc2[nH]cc(C=NNc3ncccc3Cl)c12 763355968 MFGUZYYJZWJREY-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C=C(CC)COC(=O)[C@H](C)Oc1ccc(SC)cc1 773521247 GAAMDTXJWKQOAW-LBPRGKRZSA-N 280.389 3.685 30 20 CHED COc1ccccc1N1CCC(=NOC2CCCC2)CC1 774604691 ZMFVVUQKMOLUMC-UHFFFAOYSA-N 288.391 3.611 30 20 CHED CC[C@@H]1CC(=NN[C@H](Cc2ccccc2)C(C)C)CCO1 777448510 PUXRDWMEXGJZRP-QZTJIDSGSA-N 288.435 3.788 30 20 CHED C#CCCCCCc1nnc(-c2ccccc2F)o1 1118353882 SFXRVXZDQPMYRU-UHFFFAOYSA-N 258.296 3.612 30 20 CHED C=CCN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C 770016497 PNARQCBVIXNBOD-UHFFFAOYSA-N 297.742 3.677 30 20 CHED CC(CCOCc1ccccc1)=NNc1cccc(C)n1 872392858 AOMZLOUOLFKMPQ-UHFFFAOYSA-N 283.375 3.785 30 20 CHED Fc1ccc2c(c1)C(=NOCCC(F)(F)F)CCCO2 777459297 IDDNDHDFBHKGAT-UHFFFAOYSA-N 291.244 3.671 30 20 CHED C=CC[C@H](C(=O)O[C@@H]1C=CCCC1)c1ccccc1 778418098 KMVZYZXECFEYMG-CVEARBPZSA-N 256.345 3.998 30 20 CHED C=C(CC)COC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 773537260 YYFRRRWRMWHVIO-KCNJBTMXSA-N 266.356 3.804 30 20 CHED C=C(C)[C@H](NC(=S)NCC(C)C)c1ccc(F)c(F)c1 774204042 GQDXCWWSLRBOBM-AWEZNQCLSA-N 298.402 3.702 30 20 CHED C[C@@H]1CC/C(=C\c2nnc(-c3cccc(C#N)c3)o2)C1 1118360579 KJRSHJSFAYVMMT-LWMMSDEHSA-N 265.316 3.812 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1cc(Cl)nc(C)n1 773203578 RQUOQRKXQODSFN-CMPLNLGQSA-N 278.787 3.829 30 20 CHED CCOCCON=Cc1ccc(-c2ccccc2Cl)o1 774432080 MOWYPXKTFYICEI-UHFFFAOYSA-N 293.750 3.987 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)cc1OC)C1CC1 776087312 SIACCJXUOCPVKN-UHFFFAOYSA-N 280.755 3.531 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1cncc(Cl)n1 773202448 YPSMXOFKDGBAMV-UHFFFAOYSA-N 295.173 3.814 30 20 CHED Clc1ccc2ncc(C=NOC3CCCCC3)n2c1 777457638 ZOEUCTSXJCZZID-UHFFFAOYSA-N 277.755 3.671 30 20 CHED CC(CSC(C)(C)C)=NOCCC(F)(F)F 777462715 ISPYJAWQBRNCIA-UHFFFAOYSA-N 257.321 3.863 30 20 CHED CC(Cc1ccsc1)=NNc1cc(Cl)ccn1 777905869 NRKAUMWXYVYRLL-UHFFFAOYSA-N 265.769 3.827 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCc3cc(F)ccc32)c1 773030498 RETHTBSFCSKWCT-KRWDZBQOSA-N 284.309 3.614 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2cc(C#N)ccc2F)C[C@H]1C 1129715845 RSYDCPLXYLRGKK-NQBHXWOUSA-N 274.339 3.708 30 20 CHED N#CCc1ccccc1CC(=O)Oc1ccc(Cl)cc1 776728804 SXVBMIGLCNFLMK-UHFFFAOYSA-N 285.730 3.554 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C#N)cc2F)ccc1O 772809307 YAOYADOASHSIBK-QPJJXVBHSA-N 281.286 3.608 30 20 CHED COc1ccc2nc(NN=C3CCCC3)c(C)cc2c1 777910944 HLANEBCSHABVQH-UHFFFAOYSA-N 269.348 3.894 30 20 CHED C#CCCCCCC(=O)NC[C@H](CC)c1ccccc1 779745048 CMPCHKKQINKIHO-INIZCTEOSA-N 271.404 3.880 30 20 CHED C=CCN(C(=O)Cc1c(C)cc(C)cc1C)C(C)C 773327633 FATTYEYAQGNQPZ-UHFFFAOYSA-N 259.393 3.577 30 20 CHED CC(C)c1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1O 882653776 BEFIPNHWSLNMBV-SFHVURJKSA-N 298.386 3.928 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1 781615378 RHQWTANYBXQSPV-PSASIEDQSA-N 297.185 3.783 30 20 CHED C=CCCCCCOC(=O)c1cccc(C)c1NC(C)=O 782233269 UYUNQUXLCGOPDP-UHFFFAOYSA-N 289.375 3.857 30 20 CHED C#CCOc1cccc(Oc2ccc(C(F)(F)F)cn2)c1 788845143 CBXUJHMOTMNTEW-UHFFFAOYSA-N 293.244 3.905 30 20 CHED Cc1cc(COC(=O)c2cccc(C(C)C)n2)ccc1C#N 784160173 SWPSNFIEAFWCHF-UHFFFAOYSA-N 294.354 3.742 30 20 CHED CC(C)CC1(CNC(=O)c2csc(C#N)c2)CCCC1 1126964537 QJVZFLXARLKTOI-UHFFFAOYSA-N 290.432 3.956 30 20 CHED C=CCCN(C)C(=S)Nc1cccc(C(F)(F)F)c1 786081663 AGJXZDPFFVOCLD-UHFFFAOYSA-N 288.338 3.910 30 20 CHED CO[C@H](C(C)=NNc1ccccc1[N+](=O)[O-])c1ccccc1 782112157 UWLQBJLQQHKVJH-MRXNPFEDSA-N 299.330 3.770 30 20 CHED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1cncs1 787171869 FUMKJYRHCXOLHU-UTCJRWHESA-N 295.310 3.683 30 20 CHED C#C[C@@H](C)N(C)Cc1sccc1NC(=O)OC(C)(C)C 894060591 VWYAFFQQGOOAIA-LLVKDONJSA-N 294.420 3.549 30 20 CHED CSCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 76153159 QJMAVPBTBLDADB-JKSUJKDBSA-N 274.433 3.511 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C1[C@H]2CCC[C@H]12 783875022 YDZUGFFJUMZZRP-HOTGVXAUSA-N 285.387 3.569 30 20 CHED CN(Cc1ccc(O)cc1)c1ccc(C#N)c(Cl)c1 302666096 QELZBIHYWQLDQK-UHFFFAOYSA-N 272.735 3.554 30 20 CHED CCOCCC=NNc1nc(-c2ccccc2)cs1 788423272 UUAHJAOITOBCPI-UHFFFAOYSA-N 275.377 3.634 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CC2CCC1CC2 410726187 SQCMBBKXJQKOMV-NRXISQOPSA-N 276.424 3.744 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1nccnc1C 783523106 CEVLJJHZAZLJAY-UHFFFAOYSA-N 282.391 3.919 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(O[C@H](C)C#N)cc1 787308786 GEVNMIZCABDELK-ZBFHGGJFSA-N 270.376 3.518 30 20 CHED C#C[C@H](/N=C/c1ccccc1O)c1ccc(Cl)cc1F 794675523 CUVVTTBPNZCZSB-RPJLVFAOSA-N 287.721 3.978 30 20 CHED C#C[C@@H](NC(=O)N[C@H](CC)c1ccc(Cl)s1)C(C)C 798555939 WRLXCBGNVZDNOE-GHMZBOCLSA-N 298.839 3.810 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cncc(-c2cccc(C)c2)c1 791199730 CLPWKQPUELKAOC-SFHVURJKSA-N 292.382 3.589 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1cncs1)C2=O 798232312 RANQSWUKNLASRR-XGICHPGQSA-N 259.355 3.781 30 20 CHED CCC[C@](C)(CC)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 796617942 HHSCRFULHBEGLU-ACJLOTCBSA-N 297.402 3.966 30 20 CHED C#C[C@H](CCC)NC(=O)c1sc(C)nc1-c1ccccc1 791740363 DTKBAQZQIHZGRJ-CQSZACIVSA-N 298.411 3.650 30 20 CHED C=C(Cl)CNC(=O)Nc1cnn(C(CC)CC)c1CC 792495557 FQJYNRKGYDWWRL-UHFFFAOYSA-N 298.818 3.681 30 20 CHED C#Cc1cncc(C(=O)N(c2ccccc2)C2CCCC2)c1 798245964 VOIMNQNGOAUYOE-UHFFFAOYSA-N 290.366 3.652 30 20 CHED C[C@@H](C=NNc1ccc(Cl)cc1)NC(=O)OC(C)(C)C 799105463 YAKUXHSCKLURFH-JTQLQIEISA-N 297.786 3.651 30 20 CHED N#Cc1ccc(SCc2ccc(Cl)nc2Cl)nc1 799881613 PHANJCRLKYNBJO-UHFFFAOYSA-N 296.182 3.947 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 793074375 GNSQZIOVIVQJNA-SJORKVTESA-N 298.430 3.604 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CC[C@H](CO)CC1 793536870 YJEFJGLNEPTJQO-JYJNAYRXSA-N 253.430 3.652 30 20 CHED C=CC[C@H](CCc1ccccc1)OC(=O)c1c[nH]c(C#N)c1 797563884 GIUPDZLYUYDGBN-QGZVFWFLSA-N 294.354 3.621 30 20 CHED C=C(C)CN(C)Cc1ccc(N(C)C)cc1C(F)(F)F 793054621 MRVAYNXUJSTIPS-UHFFFAOYSA-N 286.341 3.779 30 20 CHED CC1(C)CCC[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)C1 1154470934 MPWJFBVDVWOFRE-SJORKVTESA-N 298.430 3.844 30 20 CHED Cc1cc(Nc2ccc3c(cnn3C(F)F)c2)c(C#N)cn1 1307077059 PKNNSMJYFIMIOE-UHFFFAOYSA-N 299.284 3.750 30 20 CHED C[C@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)n2)CC1 1163076499 SKWYJGYNWFVVQI-QWRGUYRKSA-N 263.772 3.987 30 20 CHED C[C@H](NC(=O)NCC1C(C)(C)C1(C)C)c1cccc(C#N)c1 1226973301 OVRKZQFRZILJSR-LBPRGKRZSA-N 299.418 3.601 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1 1310873038 RLPVOJGMSTXLCN-GZBFAFLISA-N 285.391 3.813 30 20 CHED C=CC[C@H](C)C(C)=NNc1cncc(Br)c1 1323040538 XNGVXWRZFRFONX-VIFPVBQESA-N 282.185 3.844 30 20 CHED CCN(Cc1cc(C#N)cs1)Cc1ccccc1F 1320480034 JRPMZTJLFUTOQO-UHFFFAOYSA-N 274.364 3.781 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(F)cc(OC)c1 1327783170 NNPACGWPKOWGJY-UHFFFAOYSA-N 280.343 3.701 30 20 CHED C=C[C@@H](COC)NCCCc1c(Cl)cccc1Cl 1321260566 SFCABTIPWPJHDC-NSHDSACASA-N 288.218 3.717 30 20 CHED C=CCOCCCC(=O)NC[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1323315986 XPTZCCATDLIXGC-YESZJQIVSA-N 295.467 3.794 30 20 CHED C=C(C)C(C)(C)c1nnc(Cn2c(C)nc3ccccc32)o1 1333090652 JQRYGNNPFYUBMH-UHFFFAOYSA-N 296.374 3.630 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2ccc(CC)cc2C1 1339303592 SUMLJKKIBIQCOO-UHFFFAOYSA-N 271.404 3.736 30 20 CHED C=CCOc1cc(OC)ccc1-c1nnc([C@H](C)CC)o1 1258029100 HOBUKZTUDLELEV-LLVKDONJSA-N 288.347 3.824 30 20 CHED CCCc1ccc(C(=O)[C@H](C#N)c2cccc(F)n2)s1 1343398808 FNGCQRKNNWGIRX-LLVKDONJSA-N 288.347 3.725 30 20 CHED C=C[C@H](C(=O)Nc1cc(C(C)(C)C)nn1C)c1ccccc1 1345882613 ODBUZXTUBZWNFR-AWEZNQCLSA-N 297.402 3.626 30 20 CHED C[C@@H]1CC[C@H](NC(=O)[C@@H](CC#N)c2ccccc2)C[C@H]1C 1267935827 YCGSAUFUHDKRPO-JHNDHUHGSA-N 284.403 3.625 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccc(F)c2occc12 1263449646 BMZRRKJXLJRSLX-LBPRGKRZSA-N 275.279 3.667 30 20 CHED C=C[C@H](C(=O)N1CCCC(F)(F)CC1)c1ccccc1 1263866206 GUNMGPSQOOPBBP-AWEZNQCLSA-N 279.330 3.604 30 20 CHED Cn1c(Cl)cnc1[C@H](C#N)C(=O)CCCCC(C)(C)C 1344865030 XECBWIWLZUQRHO-LLVKDONJSA-N 295.814 3.856 30 20 CHED C[C@@]1(c2nnc(COc3ccccc3C#N)o2)CC=CCC1 1349963526 ATDMVWVPGUTZQI-QGZVFWFLSA-N 295.342 3.518 30 20 CHED N#Cc1cccc(N(C(=O)c2ccc(F)cc2)C2CCC2)c1 1279130458 PUCVPWZNNJCVOR-UHFFFAOYSA-N 294.329 3.897 30 20 CHED Cc1cc(N2CCC(C)(C(C)C)CC2)c(C#N)cn1 1458334205 PITBJIBFBAAULQ-UHFFFAOYSA-N 257.381 3.524 30 20 CHED Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C 1530862789 UGVMONYWKAHIDP-WWGRRREGSA-N 284.403 3.669 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 1464916449 IDIMCGUCTTUGKA-BZUAXINKSA-N 278.440 3.847 30 20 CHED CC(C)c1ncsc1C(=O)Nc1ccc(C#N)c(F)c1 1535016583 YKYVBDOOJADQDE-UHFFFAOYSA-N 289.335 3.530 30 20 CHED N#Cc1ccc(C(=O)Nc2csnc2-c2ccccc2)o1 1538512957 MAFMNOBRKOORHV-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCN(C[C@H](C)CSc1ccccc1C)[C@H](C)C#N 1473669619 RSWNOZIWVVXCPI-DZGCQCFKSA-N 276.449 3.957 30 20 CHED C=C(CNC(=O)O[C@H](C)CC(C)C)c1ccccc1 1475365433 YDWFPIHGYPQIOT-CQSZACIVSA-N 261.365 3.861 30 20 CHED COc1ccc(CN[C@H](C)[C@H]2CCCC[C@@H]2C)cc1C#N 1621498552 ZYENWLMOOCPLLP-VBQJREDUSA-N 286.419 3.871 30 20 CHED C[C@@H]1C[C@H](CCNc2cncc(C#N)n2)CC(C)(C)C1 1559179956 PAIMUFAYZHPAJM-OLZOCXBDSA-N 272.396 3.613 30 20 CHED C[C@H](Nc1nc2ccccc2nc1F)c1ccc(C#N)cc1 1559082406 MZPUEGORDAIXDQ-NSHDSACASA-N 292.317 3.814 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)c(F)cc1F 1624592605 REOFOKOCGHGYIV-JTQLQIEISA-N 280.318 3.847 30 20 CHED CC(C)(CCC#N)CNC1C2CC3CC(C2)CC1C3 229683153 MPLSAUBIFZWILH-UHFFFAOYSA-N 260.425 3.731 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)NC[C@@H](C)C#N 1634156018 OUATWXYYAIUDBF-GJZGRUSLSA-N 281.444 3.784 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1CC1(CC#N)CC1 1658133277 DJHHSWPPTFSEPF-QGZVFWFLSA-N 268.404 3.777 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1ccc(C(=O)O)c(F)c1 1588770529 ANXBHXOVHASSGZ-XJKSGUPXSA-N 291.366 3.748 30 20 CHED Cc1ccccc1CCN(C)c1ncc(Cl)c(C)c1C#N 1655509032 BSSPKWFHGDVVEL-UHFFFAOYSA-N 299.805 3.902 30 20 CHED C[C@@H](NC(=O)NCc1ccc(C#N)cc1)C1CCCCCC1 1669386075 VULHGADDRIVFED-CQSZACIVSA-N 299.418 3.716 30 20 CHED C[C@H]1CN(C(=O)[C@@H](CC#N)c2ccccc2)CC(C)(C)C1 1597492806 MYHVFKAERLSEPB-ZBFHGGJFSA-N 284.403 3.578 30 20 CHED Cc1csc(NC(=O)NC2C[C@H](C)C[C@@H](C)C2)c1C#N 1677351375 IOUMRXMJRKWYNM-NXEZZACHSA-N 291.420 3.874 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2cc(C#N)ccc2F)C1 1672625814 YLIASWLNLBHMGL-WCQYABFASA-N 289.354 3.788 30 20 CHED C[C@@H]1CC(=NNc2ccc(C(=O)O)c(F)c2)C[C@H](C)C1 1776074520 FRFHZKVMUXPCKN-AOOOYVTPSA-N 278.327 3.748 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2cc(C)ccc2C)C1 1776160748 CUZFNMGASKECQU-GOSISDBHSA-N 287.403 3.546 30 20 CHED C=CCCCCCN1CC=C(C2(C(=O)O)CCC2)CC1 1776173427 XAYZNZJYFKVIFN-UHFFFAOYSA-N 277.408 3.620 30 20 CHED Cc1cc(NN=C2CC[C@H](CC(=O)O)[C@H]2C)ccc1Cl 1776105142 PUMSZYXPILLYDI-GHMZBOCLSA-N 294.782 3.937 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)cc2)c1 1776126899 AQNLBQHXSQYSRQ-HWAYABPNSA-N 292.334 3.989 30 20 CHED Cc1ccc(/C=C2\COc3ccccc3C2=O)cc1[N+](=O)[O-] 13137347 AHJGCGXMWVRGRT-MDWZMJQESA-N 295.294 3.562 30 20 CHED C=CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1C 14289698 DSTXNPSCEDDRRE-UHFFFAOYSA-N 295.404 3.692 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1OC 16504204 NKIHXQONRQPWTR-UHFFFAOYSA-N 297.354 3.821 30 20 CHED C=CCNC(=S)Nc1cccc(C2SCCS2)c1 18146292 HPNSZQFXPDRIEI-UHFFFAOYSA-N 296.486 3.638 30 20 CHED CCN(CC)CCC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 19914941 DHTJGZHEAHXZCR-CVEARBPZSA-N 287.451 3.719 30 20 CHED COc1cccc(C(=O)/C=C/c2cnc3ccc(C)cn23)c1 151376658 QURUGAFENAZIMG-BQYQJAHWSA-N 292.338 3.547 30 20 CHED Cc1c(C)c(C)c(CNC(=O)C2(C#N)CCC2)c(C)c1C 151341815 RCJJIORXMIUBPT-UHFFFAOYSA-N 284.403 3.539 30 20 CHED CC[C@@H](C)c1cc(C(=O)Nc2cc(C#N)ccc2C)on1 152782397 HVUAGMJNZWZRRX-SNVBAGLBSA-N 283.331 3.621 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(C#N)c1 156188088 TTXQDNPRSWAWOF-INIZCTEOSA-N 286.375 3.625 30 20 CHED C=CCOc1ccc(CNC(C2CC2)C2CC2)cc1 20131405 HBZJWSYNFRRMLW-UHFFFAOYSA-N 257.377 3.530 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 127610982 DGFXYCCTAQJXOG-IINYFYTJSA-N 296.823 3.629 30 20 CHED Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1Cl 30826227 BXKIKHUUDBZGSH-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#Cc1cccc(CNc2ccc(Cl)cc2[N+](=O)[O-])c1 35255702 SXPDBFDKEJJQEC-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C=C(C)CN[C@H](c1ccccc1)c1ccc(OC)cc1 161033677 UZTUGQLUWOUOJK-GOSISDBHSA-N 267.372 3.950 30 20 CHED N#CC1(NC(=O)c2cccc(Cl)c2Cl)CCCCC1 40216401 YUFNBTNEWVUFHZ-UHFFFAOYSA-N 297.185 3.950 30 20 CHED C=C(C)CN(C)C(=O)CCCc1c[nH]c2ccccc12 165908284 ZLGQRXRTAOBCIG-UHFFFAOYSA-N 270.376 3.525 30 20 CHED C=CCNc1cc(Br)ccc1OC(C)C 308821700 CGGKKLJHDOCMMG-UHFFFAOYSA-N 270.170 3.834 30 20 CHED C=C[C@H](C)N[C@@H]1CCCc2cc(Br)ccc21 309573294 OFHJCLOIBKENPE-IINYFYTJSA-N 280.209 3.991 30 20 CHED N#Cc1cccc(CNC2(C(F)F)CCCCC2)c1F 510080047 RLSZRVUAVQKYHG-UHFFFAOYSA-N 282.309 3.755 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1Cl 311339482 HORWSHSJKCPCOH-IMRBUKKESA-N 274.751 3.586 30 20 CHED Cc1ccc(Nc2ncc(C#N)cc2Cl)cc1C 513615033 MQZHJYQQTHSERA-UHFFFAOYSA-N 257.724 3.967 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@H](C)CCC=C(C)C 514938335 GZVCPDHDLKQPAX-UKRRQHHQSA-N 250.386 3.567 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cc(OC)ccc1OC 312553319 NUPNDEFICHYGSE-ZDUSSCGKSA-N 277.408 3.957 30 20 CHED N#CCC1CCN(Cc2sccc2Br)CC1 335977004 AQUYXHGUGBKKGK-UHFFFAOYSA-N 299.237 3.636 30 20 CHED C#C[C@H](NC1CCC(CSC)CC1)C(C)(C)C 705304089 HRJREGWLWYQIEY-RUXDESIVSA-N 253.455 3.546 30 20 CHED Cc1cc(C)cc(CN2CCC(CCC#N)CC2)c1 399278393 AKMXJTVIKSEAHE-UHFFFAOYSA-N 256.393 3.819 30 20 CHED N#C[C@H](NC(=O)c1coc2ccccc12)c1ccccc1F 113169476 BYQXLPVDXMSZBV-HNNXBMFYSA-N 294.285 3.567 30 20 CHED COc1ccc(C(C)(C)CNCc2cccc(C#N)c2)cc1 105463328 JJZYSSHZUZXLQM-UHFFFAOYSA-N 294.398 3.634 30 20 CHED N#Cc1ccc(OCc2cc(-c3cccs3)on2)cc1 9653644 XFRZPAIZANAKIZ-UHFFFAOYSA-N 282.324 3.854 30 20 CHED CCCC[C@@H](C)N(C)c1nc(C)c(C#N)cc1Cl 311074434 DSRFOZNSWVOBOX-SNVBAGLBSA-N 265.788 3.930 30 20 CHED CC[C@H](C)CN(CC)C(=O)CSc1ccc(C#N)cc1 176662305 BBJABYBERSMAMW-ZDUSSCGKSA-N 290.432 3.545 30 20 CHED CC(C)(CCC(=O)OCCCC#N)c1ccccc1 178993960 NTNOMSNXGDOFTP-UHFFFAOYSA-N 259.349 3.591 30 20 CHED C=CCN(C(=O)c1cc(F)ccc1C)c1ccccc1 58642411 YOEUWWOMOKJHJM-UHFFFAOYSA-N 269.319 3.967 30 20 CHED CCCN(CC#N)CCCOc1cccc2ccccc12 58922042 MECGFEPDWSIEAU-UHFFFAOYSA-N 282.387 3.844 30 20 CHED CC(C)Oc1ccc(NC(=O)c2sccc2C#N)cc1 52031383 DKXUQOYIRGZQSS-UHFFFAOYSA-N 286.356 3.659 30 20 CHED Cc1cccc(C(=O)/C=C/c2cccnc2Cl)c1 171538193 FBERUBBXCPSKJE-BQYQJAHWSA-N 257.720 3.940 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)CCC1CCCC1 110013355 BUULDLRQHQQFOV-LJQANCHMSA-N 298.430 3.988 30 20 CHED C=CCCCc1nc(-c2ccc(F)c(F)c2)no1 178405424 HOBKVGUHDQWYEH-UHFFFAOYSA-N 250.248 3.524 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1CCc2ccccc21 174376126 OVVKRUSFTZYUDN-HNNXBMFYSA-N 256.393 3.636 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1CCO[C@@H]1c1ccccc1 301446235 VQUAXFZLKJKGKG-RDTXWAMCSA-N 296.345 3.887 30 20 CHED CC[C@H](CC(=O)NC1(C#N)CCCCC1)c1ccccc1 171536947 QIUYFMMLFZVYAR-OAHLLOKOSA-N 284.403 3.913 30 20 CHED CCc1ccc(N/C(N)=N/CC2(C)CCCC2)cc1 304751425 JFMOBUNGWRTTEB-UHFFFAOYSA-N 259.397 3.556 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCCO1)c1ccccc1 178757912 UDGGQJMGXJXOSZ-IRXDYDNUSA-N 259.393 3.853 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1c1cccc(F)c1 175380519 BZWBGDQFFNXUFM-HNNXBMFYSA-N 261.340 3.846 30 20 CHED COCc1cccc(/C=C/C(=O)c2cccc(F)c2)c1 172813905 AXIYLJVWMJXGKX-CMDGGOBGSA-N 270.303 3.868 30 20 CHED C#CCCCCC(=O)N(CC)c1ccc(C)cc1C 179798641 VYAFUJUTPRHSSM-UHFFFAOYSA-N 257.377 3.850 30 20 CHED N#Cc1ccc(NCc2cccc(OC(F)F)c2)c(F)c1 301156852 RVDIXTCZWUGULF-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CC1(C)C[C@@H](Nc2nc3c(cc2C#N)CCCC3)C(C)(C)O1 302024744 GHHJYLASDQZZNE-OAHLLOKOSA-N 299.418 3.590 30 20 CHED N#Cc1ccc(NCCc2csc3ccccc23)cn1 301517597 MBNNRKFFXLRNDL-UHFFFAOYSA-N 279.368 3.823 30 20 CHED CC(C)COCCSCc1ccc(CC#N)cc1 409872449 IWLWDPCSMXJOLH-UHFFFAOYSA-N 263.406 3.658 30 20 CHED CCC[C@H]1CCCN(c2cc(C(C)=O)ccc2C#N)C1 302084421 DMIHRHPGOVVJNT-AWEZNQCLSA-N 270.376 3.777 30 20 CHED C#CCNC(=O)[C@H](C)S[C@H](C)c1ccc2ccccc2c1 122246192 FYAAOYIOBUQSAZ-KGLIPLIRSA-N 297.423 3.772 30 20 CHED Cc1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1F 122247624 LVGWLXBDMJHTKW-GFCCVEGCSA-N 283.302 3.924 30 20 CHED Cc1ccccc1CC(C)(C)Nc1ccc(C#N)cn1 301639849 YHWBJBPGDWEDFE-UHFFFAOYSA-N 265.360 3.695 30 20 CHED C=CCC[C@@H](O)CN[C@H](CCC=C)c1ccccc1 180046686 DFCCWCYGSPJDTK-IAGOWNOFSA-N 259.393 3.611 30 20 CHED N#Cc1ccc(N(Cc2cccs2)C[C@@H]2CCCO2)cc1 129972886 QBVDZTNQSPEDGX-INIZCTEOSA-N 298.411 3.805 30 20 CHED C=CCn1c(SCC(F)F)nnc1-c1ccc(C)cc1 122475711 XSSDCKYOQVMMDZ-UHFFFAOYSA-N 295.358 3.797 30 20 CHED C=C(C)CN(C)C(=O)CCCCOc1cc(C)ccc1C 180384612 BRMFMECCIWVINC-UHFFFAOYSA-N 289.419 3.887 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccc(Cl)c(C)c1 187065068 OMRVJKFLLFLLDT-UHFFFAOYSA-N 278.783 3.532 30 20 CHED CC(C)CCN(CCC#N)Cc1ncc(C(C)(C)C)o1 72691021 YDHIFTCLWYKPCC-UHFFFAOYSA-N 277.412 3.734 30 20 CHED C=CCCCC(=O)N[C@H]1CCCOc2c(F)cccc21 181056841 QAZZBYOTQKHPOH-AWEZNQCLSA-N 277.339 3.512 30 20 CHED C[C@@H](CN[C@H]1CCC[C@H](C#N)C1)Oc1ccc(Cl)cc1 185846626 AVVMPCSMUCUQCK-YDHLFZDLSA-N 292.810 3.779 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(O)c2)c(C)c1 213705028 CWGJWCCITWDPEG-CLFYSBASSA-N 252.313 3.905 30 20 CHED C[C@@H](SCC1(C#N)CCC1)C(=O)N(C)C1CCCCC1 419578064 IEGUHTMRRPOCBR-CYBMUJFWSA-N 294.464 3.593 30 20 CHED C=CCN(Cc1c(C)n[nH]c1C)CC1CCCCC1 125620153 QCEHMXLAIOYOFI-UHFFFAOYSA-N 261.413 3.595 30 20 CHED N#C[C@]1(NC(=O)C2CCCCCC2)CCc2ccccc2C1 183982554 VRZPFLMXYGDGSW-IBGZPJMESA-N 296.414 3.524 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCCC(C)(C)C2)cc1 121132967 DUECVCRPXFVTNY-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(F)c(SC)c(F)c1 184386680 IBMWUWGORHEUPV-UHFFFAOYSA-N 298.358 3.893 30 20 CHED CC(C)(C)[C@H](Nc1cnc(C#N)cn1)c1cccc(F)c1 126793012 DHXPCOIAGMQRAJ-OAHLLOKOSA-N 284.338 3.687 30 20 CHED Cc1cc(C)cc(C(=O)Nc2ccccc2O[C@H](C)C#N)c1 182077711 HQRGUIONFQQGSY-CQSZACIVSA-N 294.354 3.847 30 20 CHED CC(C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 121428992 GJPKIFOYASTJTJ-UHFFFAOYSA-N 299.399 3.590 30 20 CHED Cc1cnc([C@H](C)CN[C@H](C)c2cccc(C#N)c2)s1 186772512 YJMQZBKGHYZPJW-DGCLKSJQSA-N 285.416 3.778 30 20 CHED COCCC1(CNCC(C)(C)CCC#N)CCCCC1 185228503 ADNDWKWJJYMKKG-UHFFFAOYSA-N 280.456 3.893 30 20 CHED FC(F)(F)CN(CC#Cc1ccc(Cl)cc1)C1CC1 125691988 RDVJSBAVDYVHFI-UHFFFAOYSA-N 287.712 3.718 30 20 CHED CCC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 180390646 GERIJUUAAUYOQC-UHFFFAOYSA-N 273.279 3.648 30 20 CHED C=CCCCC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 181120788 KIONYULIOAIMLA-GDBMZVCRSA-N 293.794 3.643 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)c2ccsc2)s1 78082887 YCMDIVRXXHHFKS-VIFPVBQESA-N 290.413 3.986 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)C[C@@H]1C=CCCC1 188604057 BMPFYPYZWAFXNL-IEBWSBKVSA-N 296.414 3.764 30 20 CHED N#CCSCCCN1CC2(CCC2)c2c(F)cccc21 72515713 CZECLZUMTGEYMJ-UHFFFAOYSA-N 290.407 3.714 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1c1ccccc1 507206720 BZGXWLPXOXTOOG-RBUKOAKNSA-N 276.383 3.794 30 20 CHED N#CC1(CSCCc2ccc3c(c2)CCO3)CCC1 419438840 ODPUBLAEDDTQKT-UHFFFAOYSA-N 273.401 3.591 30 20 CHED CC(C)(CCC#N)CNCc1cnccc1C(C)(C)C 414502407 UKTKMLSFOTWFFY-UHFFFAOYSA-N 273.424 3.799 30 20 CHED CC(C)(CC#N)CN[C@H]1CCCc2cc(F)ccc21 414172612 WEWNUPUNCFWFJR-HNNXBMFYSA-N 260.356 3.733 30 20 CHED C=CCCCCN[C@@H](C)Cc1cc(OC)c(OC)cc1C 502436910 RMOYUNOHAVVHAB-HNNXBMFYSA-N 291.435 3.889 30 20 CHED Cc1nsc(NCCSc2ccccc2)c1C#N 341346654 JUYYMRUMJGLALW-UHFFFAOYSA-N 275.402 3.527 30 20 CHED Cc1ccc(CN(C(=O)Nc2cccc(C#N)c2)C2CC2)o1 47338017 IIZNJCQDJFCQDV-UHFFFAOYSA-N 295.342 3.656 30 20 CHED C[C@H](Nc1snc(Cl)c1C#N)c1cccs1 47405255 QQOHWLRPBUSJPZ-LURJTMIESA-N 269.782 3.903 30 20 CHED N#C[C@H](C(=O)C1CCC1)c1nc(-c2ccccc2)cs1 41535767 HPRHWFHIZCSPPJ-CYBMUJFWSA-N 282.368 3.786 30 20 CHED Cc1csc(N=C(O)[C@@H]2CCC(=O)[C@@H](C)C2)c1C#N 329306817 BHIMLXYXRYAYGI-WCBMZHEXSA-N 276.361 3.522 30 20 CHED CC[C@H]1CCCCN1C(O)=Nc1nccn1-c1ccccc1 328743464 NKJZZWWIGUUHBK-AWEZNQCLSA-N 298.390 3.682 30 20 CHED OC(=Nc1csc(-c2ccccn2)n1)[C@@H]1C[C@@H]1C1CC1 329427318 JFFGETPIJSSEPJ-GHMZBOCLSA-N 285.372 3.839 30 20 CHED C=CCC1(C(=O)NCCCc2c[nH]c3ccccc23)CCC1 191459022 OKFGJXRWFOQSHS-UHFFFAOYSA-N 296.414 3.963 30 20 CHED CN(Cc1ccc(C#N)cc1)c1cc(C(F)(F)F)ccn1 80770181 FDIIJROSKIOPFU-UHFFFAOYSA-N 291.276 3.608 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCCc1scnc1C 421203046 REQIDOHGBDCOQY-UHFFFAOYSA-N 292.791 3.907 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(C(C)C)n[nH]1)c1ccccc1 89486388 YBFHDLAPRRKBPT-ZDUSSCGKSA-N 283.375 3.832 30 20 CHED N#Cc1ccccc1CNc1cccc2ccncc12 228615608 OHKSNDLCQIQIPN-UHFFFAOYSA-N 259.312 3.719 30 20 CHED Cc1nc(C(C)C)oc1CN1CCc2ccc(C#N)cc21 428295901 UNTXCSZILLKUNS-UHFFFAOYSA-N 281.359 3.541 30 20 CHED Cc1ccccc1CC(=O)[C@@H](C#N)c1nc2ccccc2o1 41544587 LLXNOZKBEPTCIU-CQSZACIVSA-N 290.322 3.555 30 20 CHED CCC[C@H](C)NC(=O)N(CCC)Cc1ccc(C#N)cc1 43001401 AIODXHARMPHQLM-AWEZNQCLSA-N 287.407 3.668 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@H](C)c1ccc2ccccc2c1 84585281 QIBJZRHURPHTBY-ZIAGYGMSSA-N 280.371 3.561 30 20 CHED C[C@H](OC(=O)c1ccccc1OCC#N)c1cccc(F)c1 193683212 IJBNJTVFKNKMOS-LBPRGKRZSA-N 299.301 3.646 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@H](C3CCCC3)C2)c1 420620455 QGVJJARDFYXXAM-KRWDZBQOSA-N 282.387 3.777 30 20 CHED C=CCC[C@H](NCCO[C@@H]1CCCCO1)c1ccccc1 193090337 MCYRUJMIONBXPG-ZWKOTPCHSA-N 289.419 3.827 30 20 CHED CCC[C@@H](C)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 195231809 OLRCTLISTYQKOT-CQSZACIVSA-N 284.403 3.876 30 20 CHED N#CCCC1CCN(Cc2cc(F)c(F)cc2F)CC1 514604558 DYSQOTHDPVKQMB-UHFFFAOYSA-N 282.309 3.620 30 20 CHED CC(C)(C#N)CCCOc1ccc(C(=O)O)cc1Cl 87596461 SSWMVKCXIMLJJI-UHFFFAOYSA-N 281.739 3.747 30 20 CHED CC(C)CN1C(=O)c2ccccc2N[C@]12CCC[C@@H](C#N)C2 334883811 RFGOFCVCYMKREK-RDTXWAMCSA-N 297.402 3.620 30 20 CHED Cc1cccc(C)c1OC[C@H](C)N[C@H]1CCC[C@H](C#N)C1 192729004 IZCVGTZEUUHLDE-ULQDDVLXSA-N 286.419 3.743 30 20 CHED N#Cc1ccncc1N1CC[C@@H](CSc2ccccc2)C1 91727948 ANMVQYFWWOQCBO-CQSZACIVSA-N 295.411 3.572 30 20 CHED CC(C)CC1(C(=O)NCC#Cc2cccc(F)c2)CCC1 513223264 SLTOWBWFIYEMGH-UHFFFAOYSA-N 287.378 3.510 30 20 CHED Cc1ccc(C)n1C1CCN(c2cccc(F)c2C#N)CC1 337624987 DDVYXSFHBFIBNR-UHFFFAOYSA-N 297.377 3.957 30 20 CHED Cc1nc(C)c(NC(=O)c2ccc(C#N)c(Cl)c2)s1 336090543 SXRCNEXJEPWLTJ-UHFFFAOYSA-N 291.763 3.537 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(OC(C)C)cc1 510490730 JGOBTNXCTFELIX-UHFFFAOYSA-N 294.354 3.906 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)s1 334850169 DOATYDQEVULYED-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC(C)[C@H]1CCCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 331545924 YFHZHKBRICYXNG-JYJNAYRXSA-N 291.439 3.536 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ncccc1C(C)C 338217363 DKKRDACGIYQLOI-UHFFFAOYSA-N 279.343 3.637 30 20 CHED N#Cc1cc(F)ccc1N1CCC(F)(c2cccnc2)CC1 335952211 XFNLZEUDTZXNNK-UHFFFAOYSA-N 299.324 3.558 30 20 CHED CC(C)(NCC#Cc1ccc(F)cc1)c1ccccc1F 429262128 DKZRNWOMOOGRGJ-UHFFFAOYSA-N 285.337 3.841 30 20 CHED CCCC(C)(C)/N=C(/O)c1cc(C)cc2c[nH]nc12 330455435 XAMYSIJIOSXDSZ-UHFFFAOYSA-N 259.353 3.755 30 20 CHED CCN(Cc1cnc(-c2ccsc2)s1)C[C@@H](C)C#N 91983243 YXUJKHNSTXLYJK-NSHDSACASA-N 291.445 3.853 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C#N)c1C 510115394 CDQNLDUNLVOXKH-CXAGYDPISA-N 284.403 3.908 30 20 CHED C[C@@H]1c2ccccc2CN1C(=O)[C@@]1(C#N)CC12CCCC2 336226638 ZZXRPCQATQVYQY-ACJLOTCBSA-N 280.371 3.564 30 20 CHED CC(C)c1cccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 335602093 UZADTLJXDVFRHG-SWLSCSKDSA-N 271.364 3.624 30 20 CHED C=CCC[C@H](NCC1(N(C)C)CCCC1)c1ccco1 514083481 LLKDDELMTFCYOM-HNNXBMFYSA-N 276.424 3.751 30 20 CHED CN(C(=O)NCC1(C#N)CCC1)[C@H]1CCC[C@H]1C(C)(C)C 331577012 ZJFDLKQTYHGUGJ-KGLIPLIRSA-N 291.439 3.536 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c(F)c1 435734214 WMPHKSKPAHSQMN-JCNLHEQBSA-N 298.336 3.872 30 20 CHED C[C@]1(c2ccccc2)CC[C@@H](NCC2(CC#N)CC2)C1 430741443 SWBKLXZIZXMNKL-SJORKVTESA-N 268.404 3.780 30 20 CHED O=C1CCC(C(O)=Nc2ccc(F)cc2NC2CC2)CC1 330209115 BMLCCQYOMFWMJC-UHFFFAOYSA-N 290.338 3.747 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 437155713 QOSJKUVILKVBMM-ZDUSSCGKSA-N 270.357 3.501 30 20 CHED C=C[C@@H](C)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 92959231 JOLHSNYWEHPSHR-NWDGAFQWSA-N 265.784 3.599 30 20 CHED Cc1c(NC(=O)C2(C#N)CCCC2)cccc1-c1ncco1 334317205 QANHFLQUWKDMSN-UHFFFAOYSA-N 295.342 3.673 30 20 CHED C=CCCOCCCCC(=O)Nc1cscc1C 342947420 RIQQOFHCXQKEOB-UHFFFAOYSA-N 267.394 3.758 30 20 CHED CCOc1ccccc1OCCSCC1(C#N)CC1 344468853 FACQIJBZMQNZNQ-UHFFFAOYSA-N 277.389 3.501 30 20 CHED N#Cc1cccc(SCC(=O)c2ccncc2Cl)c1 340694155 BYPKZGPWVLFCMN-UHFFFAOYSA-N 288.759 3.582 30 20 CHED Cc1csc(NC(=O)CCc2ccsc2)c1C#N 344931838 UWCAFVYTZDDMDD-UHFFFAOYSA-N 276.386 3.561 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(CC#N)cc2)c1 340101177 NABSBJFXIUYPCF-UHFFFAOYSA-N 292.338 3.570 30 20 CHED CC1(C)C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccc(F)cc2O1 348186108 LVBYCEMMUBUTEU-LNSITVRQSA-N 288.366 3.710 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 341241674 YGSKYSVYIWXYMN-OFQRWUPVSA-N 283.375 3.649 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 344342240 ZXYNBVYIIHTCDK-HOTGVXAUSA-N 294.329 3.634 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CC(C)(C)c2ccccc21 602578109 VFYQGMMVYPPMTR-CZUORRHYSA-N 256.393 3.938 30 20 CHED Cc1cc(C(=O)NCC(C)(C)CCC#N)nc2ccccc12 345919232 ZXLWLJKXWJHVGU-UHFFFAOYSA-N 295.386 3.603 30 20 CHED CC[C@@H](c1ccccc1)N(CC)Cc1cccc(C#N)n1 602444481 NTWQZPKRGWCJCD-SFHVURJKSA-N 279.387 3.926 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(OCC)c(F)c1 432917551 LLPKXGUGJAUAPR-UHFFFAOYSA-N 294.370 3.948 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2nccc(C)c2C#N)C1 343477607 OQRYUAJFTITGOK-OAHLLOKOSA-N 277.371 3.564 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(Cl)ccc1F 435737099 DMTKGMYEKZSGRS-IAQYHMDHSA-N 283.774 3.550 30 20 CHED CCOCc1ccc(Nc2nc(C)ccc2C#N)cc1 342793154 YANPPZIYFAJHFQ-UHFFFAOYSA-N 267.332 3.542 30 20 CHED Cc1ccc2c(Cl)c(C(=O)N[C@@H](C)C#N)sc2c1 609167957 OPLVBUXQTXAXMB-QMMMGPOBSA-N 278.764 3.505 30 20 CHED C[C@H](CCNC(=O)N1CCC(CC#N)CC1)CC(C)(C)C 525956315 PWOKHHYYSXIGEL-CQSZACIVSA-N 293.455 3.784 30 20 CHED C=CCC[C@@H](NC[C@@H](O)Cc1ccccc1)c1ccccc1 341938738 FLZKTRJDWXGQTD-VQTJNVASSA-N 295.426 3.887 30 20 CHED N#Cc1ccccc1/C=C1/Cc2cc(F)ccc2C1=O 255182603 LLAJYKFJTLNIKM-AUWJEWJLSA-N 263.271 3.520 30 20 CHED CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F 601962180 BUUVBCVGDILGJA-NORZTCDRSA-N 278.346 3.944 30 20 CHED O=C1/C(=C\c2ccsc2)CCc2c(O)cccc21 255308272 CSNAAUDXTLREHW-FLIBITNWSA-N 256.326 3.666 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)C1(C#N)CCCCC1 521484376 YPEIPLZQPRSKAK-INIZCTEOSA-N 282.387 3.573 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2cccc(O)c2)cc1 255717533 DGGHFFWIEWBBGD-GHXNOFRVSA-N 281.355 3.744 30 20 CHED Cc1ccnc(N[C@H]2CCCc3cc(C#N)ccc32)c1 346247642 WBAUHAYEAWLOHN-INIZCTEOSA-N 263.344 3.751 30 20 CHED CSc1ccccc1CN(C)C(=O)c1ccc(C#N)cc1 348819765 UXOZEUJWXGDTPH-UHFFFAOYSA-N 296.395 3.552 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)NCC#Cc1ccccc1 606632868 VMBNIWUNZKKPNX-SJLPKXTDSA-N 298.430 3.648 30 20 CHED C[C@@H](CC#N)NCCCc1cccc2ccccc12 602865797 ZAJRPRLWNMFUKC-AWEZNQCLSA-N 252.361 3.664 30 20 CHED Cc1sc(NC(=O)CCC(C)(F)F)c(C#N)c1C 603728851 RIGPTYCRRKNRAE-UHFFFAOYSA-N 272.320 3.611 30 20 CHED C[C@H](CCC#N)CN(C)Cc1ccc(Cl)s1 602432853 JKRMFHXBGKNWRW-SNVBAGLBSA-N 256.802 3.773 30 20 CHED C=CC1CCN(Cc2ncc(C(C)(C)C)s2)CC1 448335446 RSTFTXJJHPVDFY-UHFFFAOYSA-N 264.438 3.839 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2nc(C)sc2c1 351295694 CRJQOTHRTCVWAI-UHFFFAOYSA-N 275.377 3.645 30 20 CHED C=CCC1(CN[C@@H](C)C2CCOCC2)CCCC1 449604360 JYQKNWBHBFVBHZ-AWEZNQCLSA-N 251.414 3.528 30 20 CHED C=C(CNC(=O)Nc1c(C)ccnc1C)c1ccccc1 351930869 KYPZFDXHFVGDKQ-UHFFFAOYSA-N 281.359 3.533 30 20 CHED CC[C@H](C)[C@H](CN[C@H](CCC#N)c1ccccc1)OC 602584033 WJTXTXZHCASCMV-UAGQMJEPSA-N 274.408 3.682 30 20 CHED C[C@H](CCC#N)CN1CC[C@H](Cc2ccc(F)cc2)C1 602469120 ADADDMBIEJOXIZ-GDBMZVCRSA-N 274.383 3.630 30 20 CHED CCCN(CC#Cc1cccc(Cl)c1)CC1CC1 448381894 LPENAFKYVZNLDR-UHFFFAOYSA-N 261.796 3.814 30 20 CHED CO[C@H]1CCOc2c(NCc3ccccc3C#N)cccc21 447890732 ZBMLSVZTMOVIQN-KRWDZBQOSA-N 294.354 3.640 30 20 CHED CC(C)(C#N)CNC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 352432887 VJCBCTVYIASCKZ-OAHLLOKOSA-N 299.418 3.648 30 20 CHED C=CCC(C)(C)CNC(=O)c1cncc2ccccc12 352535614 SUUZIWMOOGZIKV-UHFFFAOYSA-N 268.360 3.567 30 20 CHED C[C@@H](C1CCC1)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 356692288 DKGZDKRNOKWHRV-WMLDXEAASA-N 284.403 3.721 30 20 CHED C=CCN(CC=C)[C@H](CN[C@@H](C)c1ccoc1)C(C)C 531940642 CRKUIZHHKNYMDR-DOTOQJQBSA-N 276.424 3.629 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 448657867 RQOVBRZDTXPITD-SJLPKXTDSA-N 296.414 3.731 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCC[C@@H]2SCC)CC1 356311493 VSJHLXBIUPDATN-OLZOCXBDSA-N 267.438 3.523 30 20 CHED C=CCCCCCN(C)C(=O)CCCc1csc(C)n1 267390320 NHFMEIIOBCMDNM-UHFFFAOYSA-N 294.464 3.979 30 20 CHED Cc1cc(CNC[C@@H](C)Oc2cccc(F)c2)ccc1C#N 444002262 NDFBVEUUXSLEFU-CQSZACIVSA-N 298.361 3.563 30 20 CHED CCCC[C@@H](CC)CC(=O)Nc1cc(CC#N)ccn1 532435585 WYWQCVZZWYWBES-CYBMUJFWSA-N 273.380 3.693 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccc(CC#N)cc2)c1 444741322 YBCANPWNWJPYTQ-UHFFFAOYSA-N 282.362 3.832 30 20 CHED C=CCOc1ccc(CN2CCC[C@@H]2C)cc1Cl 539831186 WVHBBZIFPBBPJH-LBPRGKRZSA-N 265.784 3.889 30 20 CHED CN(C(=O)c1cc2cccc(F)c2o1)c1cccc(C#N)c1 610225587 OGMBVXOZWHWASU-UHFFFAOYSA-N 294.285 3.720 30 20 CHED Cc1cccc(C)c1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618784062 ONFHPWFYYBINNG-KRWDZBQOSA-N 290.366 3.592 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)Cc1ccccc1Cl 452717772 MZCNJAMVNIYQAX-LBPRGKRZSA-N 265.784 3.601 30 20 CHED N#Cc1ccsc1NC(=O)C[C@@H]1CCc2ccccc2C1 264853227 OVFTWXVOVONBDK-GFCCVEGCSA-N 296.395 3.753 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)N(C)Cc1ccc(C#N)cc1 455618858 FEXJLJJIQPUPLH-CYBMUJFWSA-N 287.407 3.524 30 20 CHED CC[C@@H](C)CSCc1nnc(-c2cccc(C#N)c2)o1 362412021 XLAWHALRNMHBEH-LLVKDONJSA-N 287.388 3.888 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 185071595 YROHMLKQTALVPF-CYBMUJFWSA-N 291.391 3.528 30 20 CHED COc1cc(C#N)ccc1CN(C1CCCCC1)C1CC1 611235171 JCEQGHNVZCHSGA-UHFFFAOYSA-N 284.403 3.864 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1CC1(C#N)CC1 451194547 ZCWZKLAVZGPJNF-YCPHGPKFSA-N 254.377 3.557 30 20 CHED C=C(C)CCN[C@@H]1CCSc2ccc(OC)cc21 453309319 DOYDYZZRCYHCPI-CQSZACIVSA-N 263.406 3.788 30 20 CHED N#C[C@@]1(F)CCN(CCCSc2ccccc2Cl)C1 615638635 OTBGTOOAFZAOAD-AWEZNQCLSA-N 298.814 3.760 30 20 CHED CC[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(C#N)cc1 278893413 YSKRFQGQGLYZCT-FGTMMUONSA-N 284.403 3.557 30 20 CHED N#CCCCC(=O)Nc1ccnc(Oc2ccccc2)c1 361796546 OOPQLAQWYGUAIH-UHFFFAOYSA-N 281.315 3.506 30 20 CHED C=CCSCCN[C@@H]1CCc2ccc(Cl)cc21 543754917 MAIGASGVHFENIA-CQSZACIVSA-N 267.825 3.836 30 20 CHED C=CCCCCCN(C)C(=O)NCC[C@H]1CCO[C@@H](C)C1 541372986 DXZCRYUFXAOWGE-HOTGVXAUSA-N 296.455 3.579 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(C2CCC(C)(C)CC2)no1 453174791 AOCRRZXOXXSDJJ-BMIGLBTASA-N 259.353 3.555 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(OC)c2ccccc12 540397681 RNEUEFFHDCWIEM-HUUCEWRRSA-N 299.414 3.684 30 20 CHED C=CCN(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1 271493689 JRAHIJDSPYCOBS-UHFFFAOYSA-N 270.159 3.784 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(C)c1C 453330190 AVZFUXVEYIBQKN-UAGQMJEPSA-N 259.393 3.688 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 547954552 ITOAETKQWLQWLE-ABAIWWIYSA-N 290.794 3.910 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnc(CCC)s1 620858713 PBLUVQHUSMTLMJ-UHFFFAOYSA-N 266.410 3.570 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)[nH]1 450429213 YTHAWIDLCNKQTF-VIFPVBQESA-N 274.286 3.508 30 20 CHED C=CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)C(C)(C)C 622943051 MHHUGNCNZRLNTC-UHFFFAOYSA-N 297.402 3.673 30 20 CHED C=CCN(Cc1csc(C(F)(F)F)c1)C1CC1 628238160 MZSGIZZXCLOIKU-UHFFFAOYSA-N 261.312 3.917 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NCC[C@H]1CCOC1 453086874 MKOOKOFSSZIRJS-KBPBESRZSA-N 290.432 3.919 30 20 CHED C=CCC1(CN[C@H](C)c2nccnc2C)CCCC1 453361557 KJMXCZHDEOWJAW-CQSZACIVSA-N 259.397 3.572 30 20 CHED C=CCN(C(=O)[C@H](C)c1cccs1)C(C)(C)C 622944592 YNLXCCCQSIDQMA-LLVKDONJSA-N 251.395 3.665 30 20 CHED C=CCN(C(=O)c1ccc(OC(C)C)cc1)C(C)(C)C 622943165 QOCPPRKMZNUWCJ-UHFFFAOYSA-N 275.392 3.901 30 20 CHED CCS[C@H](C)c1noc(-c2ccc(CC#N)cc2)n1 273962279 OCKGRDZXXVDULX-SNVBAGLBSA-N 273.361 3.617 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC=C(C)CC1 460964624 VDUXDAOBIPNEKV-CQSZACIVSA-N 274.412 3.524 30 20 CHED C/C(=C\C(=O)NCCCC#N)c1cccc(C(F)(F)F)c1 273043435 PPAITQPQEVPJAZ-PKNBQFBNSA-N 296.292 3.529 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H]1CC[C@@H](C)C1)c1ccccc1 469942055 UXPYAEDKOYYEAF-INMHGKMJSA-N 271.404 3.993 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 460555225 KMBIDXADKDAKBR-KBPBESRZSA-N 276.428 3.602 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H](Cc3ccccc3)C2)n1 462859233 ZITWWGZHHXGSIM-QGZVFWFLSA-N 291.398 3.639 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1 464749294 DCZDMLPKHJRAST-CRAIPNDOSA-N 294.398 3.844 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H](c2cccc(C)c2)C1 466382401 GMRXDIJNFTUYNC-IAGOWNOFSA-N 286.419 3.849 30 20 CHED COC[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543869761 DRUKDMOIRGWSPM-LSDHHAIUSA-N 294.398 3.911 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(Cl)c(C#N)c2)C1 469282067 WRGNSJHBTHWXLT-GHMZBOCLSA-N 276.767 3.976 30 20 CHED CCCC[C@H](C)C(=O)N[C@H](C)c1ccc(C#N)cc1 282350697 AETJKHRBEPVMPW-QWHCGFSZSA-N 258.365 3.562 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](OC)c1ccc(Cl)cc1 468012666 XJBJCZIAZCGPGC-GOEBONIOSA-N 295.810 3.746 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(NCC(C)(C)C)c1C 465474178 YZPQLJJTPKUIHJ-GFCCVEGCSA-N 274.408 3.757 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCCC[C@@H](C)C1 460957521 KSXODHLNDAWUMM-CABCVRRESA-N 290.455 3.994 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(OC(C)(C)C)cc1 465260340 YSRGFHUXUJAFSE-LLVKDONJSA-N 262.353 3.560 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2Cc2ccccc2)c(F)c1 462886775 HBUVADQIYCGDLG-RHSMWYFYSA-N 266.319 3.740 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 467868308 RSYCOAILCURPRK-ZUZCIYMTSA-N 278.421 3.809 30 20 CHED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)CCCC#N 287341974 LAHXEYFAHUQRTR-LBPRGKRZSA-N 284.325 3.872 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1cc2ccccc2s1 465224689 KFVAIEUKFJQBRI-MNOVXSKESA-N 274.389 3.836 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCC2(CCCCCC2)C1 464693595 VSYBJDUHQDUWCF-INIZCTEOSA-N 293.451 3.931 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2cnn(CC)c2c1 281382404 NPKFZSLYVBTDAT-ZDUSSCGKSA-N 286.379 3.532 30 20 CHED N#Cc1ccc(SCc2ccc(Cl)cn2)cc1 558319722 XJDMMPQWCNHXLC-UHFFFAOYSA-N 260.749 3.899 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@H](c3ccccc3)C2)C1 559254747 QJRWTTKIYCKADS-PVAVHDDUSA-N 254.377 3.558 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CCC1 479801965 IKNDWVKYQLWZMB-GJZGRUSLSA-N 261.409 3.818 30 20 CHED C#C[C@H](NC(=O)C1=CCCCC1)c1ccc(Cl)cc1F 804418679 TUELBTPCAKGOIS-HNNXBMFYSA-N 291.753 3.770 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCCCCC 804460622 LRQAEFDDUGZHAB-UHFFFAOYSA-N 293.407 3.647 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 475747886 FSJVMRQNCLASQO-LBPRGKRZSA-N 287.334 3.943 30 20 CHED CC(C)[C@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 476897013 UIZARNFFSPPXKW-ROUUACIJSA-N 298.430 3.969 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cnccc2C)CCCC1 649295316 YOQSFLRQUQOUDD-CQSZACIVSA-N 272.392 3.704 30 20 CHED Cc1c(C#N)c(N2CCC(CC#N)CC2)nc2ccccc12 562693687 RSWPIVUQPHANEV-UHFFFAOYSA-N 290.370 3.545 30 20 CHED N#C[C@]1(C(=O)Nc2cccc(Cl)c2F)CC12CCCC2 297871779 PDLNMNGYRRBLPP-HNNXBMFYSA-N 292.741 3.892 30 20 CHED CC(C)(CC#N)CSCc1nc2ccccc2[nH]1 563438400 GEUHOYLYFLOEBZ-UHFFFAOYSA-N 259.378 3.736 30 20 CHED C[C@@H]1CCCN(Cc2ccc(NC(=O)CCCC#N)cc2)C1 292610369 MYCSXDQICDZJLB-OAHLLOKOSA-N 299.418 3.551 30 20 CHED C#CCCCCC(=O)N(C)c1cc(Cl)ccc1C 294451836 ZXEFBAMVTPVARR-UHFFFAOYSA-N 263.768 3.805 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 476074535 VHLXNODERNKRID-CABCVRRESA-N 293.451 3.690 30 20 CHED C=CCC(C)(C)C(=O)NCC1(c2cccc(F)c2)CC1 292683695 GMBIUPJAFSEVSM-UHFFFAOYSA-N 275.367 3.576 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccccc1C(F)(F)F 294280042 DRPHHTGNMFPIGD-UHFFFAOYSA-N 285.309 3.876 30 20 CHED C[C@H](C=NNc1nc2cc(F)c(F)cc2[nH]1)C(C)(C)C 800810028 JQFHJNBUYDBAHM-MRVPVSSYSA-N 280.322 3.921 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](Cc1ccccc1C)C1CC1 563683619 WPYGSHUXOAFJQS-AABGKKOBSA-N 299.458 3.887 30 20 CHED CCCN(CCCC(C)(C)C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 472233748 NPBWFSGBKQMGOD-ARFHVFGLSA-N 292.467 3.842 30 20 CHED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c1 568636063 ZAYMVLBWFKRDNT-DLBZAZTESA-N 298.386 3.744 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2ccc(C#N)s2)cc1 486857343 JTUDETPCEIXZFD-NSHDSACASA-N 284.384 3.673 30 20 CHED CC[C@@H](CC#N)OC(=O)C1(c2c(F)cccc2F)CCC1 817730077 KSTUSCHSLHTFAT-NSHDSACASA-N 293.313 3.622 30 20 CHED C[C@@H](NN=C(Cc1ccccc1)C(F)F)c1ccncc1 819817088 VISJLLKAFMRHEQ-GFCCVEGCSA-N 289.329 3.596 30 20 CHED CC(C)[C@@H]1N(Cc2ccc(N(C)CCC#N)cc2)CC1(C)C 816624846 JKGOUGOYNCKPOS-SFHVURJKSA-N 299.462 3.903 30 20 CHED C[C@@H](NN=Cc1cnc(C(C)(C)C)s1)c1ccncc1 819815646 SUXJZXGUJIYIOK-LLVKDONJSA-N 288.420 3.520 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]1CCC)c1ccc(Cl)cc1 812578366 OZPBENDWQQNFEX-YUELXQCFSA-N 275.779 3.567 30 20 CHED C[C@H](NN=C1CCc2ccccc2CC1)c1ccncc1 819817600 BWYNKKQJSXZYKQ-AWEZNQCLSA-N 279.387 3.667 30 20 CHED C=CCCCCOC(=O)c1c(C(C)C)nn(C)c1Cl 811012094 XKKXYWZDDOIGHA-UHFFFAOYSA-N 284.787 3.710 30 20 CHED C=CCNc1nnc(SC[C@H](CC)CC(F)F)s1 657225918 HDQXJLZFYLMCBH-MRVPVSSYSA-N 293.408 3.910 30 20 CHED C[C@H](COc1cccc(F)c1)Nc1ccc(F)cc1C#N 485875887 PTAHGJJKWGJKRH-LLVKDONJSA-N 288.297 3.716 30 20 CHED CC(=O)c1ccc(C)cc1OCc1cccc(F)c1C#N 488210826 DDVYJGCFAIAFMU-UHFFFAOYSA-N 283.302 3.787 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(OC(F)F)cc1 811670838 FWKKKFFEHMCLTF-WQYIHYNDSA-N 275.682 3.781 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCCc1nccs1 657919476 MPIGSLHXJBDESQ-KGLIPLIRSA-N 264.438 3.800 30 20 CHED Cc1ccc([C@H](C)N(C)c2ccc(C#N)c(C)n2)cc1 488064723 AYHVSHOTJOAONX-AWEZNQCLSA-N 265.360 3.768 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(C#N)cc31)CO2 579043962 ZWXHUWQBVNKLBJ-ZWKOTPCHSA-N 290.366 3.577 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12 488833185 DNVQKQYDHXXWSZ-OAHLLOKOSA-N 282.387 3.668 30 20 CHED C=CCn1cccc1C(=O)N1Cc2ccccc2C(C)(C)C1 488780579 HRVCDKSBTMANKV-UHFFFAOYSA-N 294.398 3.608 30 20 CHED C[C@]1(C=NNc2ccc(F)c(F)c2F)CCCS1 814945945 XYTRSWWXDYZRDA-GFCCVEGCSA-N 274.311 3.787 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)O)cc1 578523902 VCDRHQCTZFZUET-HKUYNNGSSA-N 289.334 3.514 30 20 CHED CCOC(=O)C[C@@H](C)S[C@@H](C#N)Cc1ccc(C)cc1 573800819 BDLUVWXFGAQXFI-UKRRQHHQSA-N 291.416 3.505 30 20 CHED N#Cc1ccnc(N2CCC(Cc3ccccc3F)CC2)c1 577237324 QHDYGXHDTZNSRC-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C#C[C@@H](C)N(C)C(=S)Nc1ccc(CCCC)cc1 491814070 CHIQBSVEDLXJED-CYBMUJFWSA-N 274.433 3.680 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 729072323 IAJREYKUWWVAGK-SECBINFHSA-N 289.158 3.880 30 20 CHED C[C@H](OC(=O)c1csc(C2CC2)n1)c1cccc(C#N)c1 727637103 SGFXXUIKTGFGKZ-JTQLQIEISA-N 298.367 3.810 30 20 CHED N#CC1(CSCc2noc(-c3cccs3)n2)CCC1 573309741 BZPCPCDTCDXMMV-UHFFFAOYSA-N 291.401 3.725 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@@H](C)c1ccccc1 494221288 WRMBGOIQHPXILH-ZBFHGGJFSA-N 272.392 3.540 30 20 CHED C=CCCN1CCc2nc(-c3ccccc3)sc2C1 661543244 DMMHXBXITJRZAD-UHFFFAOYSA-N 270.401 3.744 30 20 CHED CCC[C@H](CC)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 823800851 QYHPIDQCSOMBBS-ZFWWWQNUSA-N 272.392 3.904 30 20 CHED CC(C)C#CC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 826853802 ZJVDXKSPWOTXJH-GOSISDBHSA-N 294.398 3.881 30 20 CHED C=CCCNC(=O)N(CCC)[C@@H]1CCc2ccccc21 661572710 XSFSDICZWVFDSA-MRXNPFEDSA-N 272.392 3.672 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc2ccn(CCC)c2c1 491769591 MWSYPTSBQMEIKK-ZDUSSCGKSA-N 283.375 3.537 30 20 CHED N#Cc1ccsc1NC(=O)/C=C\c1ccc2[nH]ccc2c1 492258208 GZFGDKAOZHLLJD-RQOWECAXSA-N 293.351 3.753 30 20 CHED CCc1ccc(C(=O)/C=C/c2cncn2C(C)C)s1 901443251 NGTWEPBMNHLRRD-FNORWQNLSA-N 274.389 3.984 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc1 822407402 YIAHUCGXHWHITQ-CQSZACIVSA-N 287.403 3.595 30 20 CHED CC[C@H](NC[C@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 903017270 RENUEFOMKLFTSV-RDJZCZTQSA-N 286.419 3.804 30 20 CHED C=CCC[C@H](NC(=O)N[C@@]12CCC[C@H]1C2)c1ccccc1 664497048 NIHGUGILTYXKKY-XYJFISCASA-N 284.403 3.936 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccccc2OC)cc1 733323183 MZSGCLBLAJQROK-HNNXBMFYSA-N 295.382 3.558 30 20 CHED CCn1cc(C=NOc2ccccc2C(F)(F)F)c(C)n1 901206179 UOFMXLVETYNDDQ-UHFFFAOYSA-N 297.280 3.643 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(NC(=O)O)c1 833374039 OEFDWFZSIQWKOU-NSHDSACASA-N 291.351 3.643 30 20 CHED C=CCN(C(=O)Nc1cccc(CSC)c1)C(C)C 731755117 XLLLPWZCOCBQAW-UHFFFAOYSA-N 278.421 3.978 30 20 CHED C=C[C@@H]1OCC[C@H]1Nc1ncnc2ccc(C(C)C)cc12 663967852 BBIRTYIMUQHSJL-CVEARBPZSA-N 283.375 3.509 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C1 661058617 ICSQZEDONHCCBZ-RYUDHWBXSA-N 292.345 3.571 30 20 CHED Cc1ccc2sc(C(=O)N3CCC[C@](C)(C#N)C3)cc2c1 589458670 JSVOEDIYNUIJMK-QGZVFWFLSA-N 298.411 3.976 30 20 CHED CC(C(=O)Nc1ccc(C#N)c(Cl)c1)=C1CCC1 839218938 UZRCOAUDILCYSN-UHFFFAOYSA-N 260.724 3.651 30 20 CHED C=CCOC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 732377316 IKGYLMTYQFEBSI-UHFFFAOYSA-N 293.322 3.888 30 20 CHED C=C(C)[C@@H](NC/C=C\Cl)c1ccc(F)c(F)c1 588513355 WPLNFSYIFNSTSK-ACVFHECNSA-N 257.711 3.924 30 20 CHED Cc1nscc1C(=O)N(O)Cc1cccc2ccccc12 901371019 KPZCFPHHJKJAMJ-UHFFFAOYSA-N 298.367 3.636 30 20 CHED COc1ccc([C@H](C)C(C)=NN[C@H](C)C(F)(F)F)cc1 835000655 LKLBXEYWRSJVJN-MWLCHTKSSA-N 288.313 3.715 30 20 CHED C=CCC[C@H](Nc1cccc(CN2CCCC2=O)c1)C1CC1 679006051 RWCITZLICQHRNG-SFHVURJKSA-N 298.430 3.966 30 20 CHED C=CCCCOC(=O)Cc1ccccc1OC(C)C 735535004 QCIKMASAJUKKOH-UHFFFAOYSA-N 262.349 3.526 30 20 CHED C#CCNc1nc(C)nc2sc(-c3ccccc3)cc12 916569003 VTTRIWNCASLHIX-UHFFFAOYSA-N 279.368 3.712 30 20 CHED C=CCC(F)(F)C(=O)N(c1ccc(C)cc1)C(C)C 839269180 ANIHEJHOMMXLJU-UHFFFAOYSA-N 267.319 3.948 30 20 CHED C#Cc1cccc(CN[C@H](C)c2sccc2OC)c1 834902248 GFMAAIXLILWIGG-GFCCVEGCSA-N 271.385 3.589 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CCC(C)C)C(C)(C)C 736400385 VBSVDJXIOZEPDM-GFCCVEGCSA-N 274.836 3.889 30 20 CHED CC[C@H](CC(C)C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839060214 YJKFPINCVNTCHM-MGPQQGTHSA-N 251.370 3.684 30 20 CHED C=CCN(C(=O)c1ccc(OC(C)C)c(OC)c1)C(C)C 918700894 GOFIDNPAZMYDKL-UHFFFAOYSA-N 291.391 3.519 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1c(Cl)cc(Cl)cc1Cl 839338708 AUHLIOZBKPXBNB-SSDOTTSWSA-N 290.577 3.741 30 20 CHED C=C[C@H](OC(=O)c1ncccc1Br)C(C)(C)C 838878726 OFLOQRVDBUSBEB-JTQLQIEISA-N 298.180 3.602 30 20 CHED CCOc1ccc(/C=N/Cc2sccc2C)c(O)c1 914558484 WYOMPOVKGLOBRN-CXUHLZMHSA-N 275.373 3.780 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccc2c(c1)CCO2 917519553 RRBQFTCSCDTQBW-QPJJXVBHSA-N 294.350 3.835 30 20 CHED CCO[C@@H](CC)c1noc(-c2ccc(C3(C#N)CC3)cc2)n1 596622014 SFQVDXCIEBHXJN-AWEZNQCLSA-N 297.358 3.779 30 20 CHED C=CCCSCCNC(=O)c1ccc(C)c(C)c1Cl 597967243 SJAITWSIIHODIP-UHFFFAOYSA-N 297.851 3.996 30 20 CHED N#CC1(COC(=O)c2c[nH]cc2-c2ccccc2F)CCC1 837690122 URHPEUNFQMBJQM-UHFFFAOYSA-N 298.317 3.671 30 20 CHED CC[C@H](C)[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)OC 590779078 DELBKAGNCZZNBM-DOPJRALCSA-N 286.419 3.586 30 20 CHED C(=NN=C(c1ccccc1)c1ccccc1)c1cc[nH]c1 745193357 PMIZGGUBIVRNSN-UHFFFAOYSA-N 273.339 3.886 30 20 CHED C=C(Cl)CSCCc1noc2ccccc12 848673054 UVQFMHSYBUZFNQ-UHFFFAOYSA-N 253.754 3.856 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1ccc2c(c1)CCCC2 916242063 ZBWQUMBWMGIGIG-UHFFFAOYSA-N 294.402 3.808 30 20 CHED C[C@@H](C#N)OCCOc1cccc(C(C)(C)C)c1Cl 849970627 BURHMBSTWMRRGC-NSHDSACASA-N 281.783 3.945 30 20 CHED COc1ccc(C(C)=NNc2cc(C)ccn2)c(C)c1 841629955 ZTSRRIPUTFPWSW-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C=C(C)CCOC(=O)c1ccc(F)c(Br)c1 744299785 LLTCVRLQGYKRNF-UHFFFAOYSA-N 287.128 3.711 30 20 CHED C=CCCSCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C 595057255 BVRLRWULXYRECP-ZDUSSCGKSA-N 294.420 3.863 30 20 CHED Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)[C@@H](C)C#N 597782635 WHNHTYHTUSYRIU-QMMMGPOBSA-N 297.185 3.741 30 20 CHED C=CCCCC(=O)N1CCCc2cc(C)cc(C)c21 748675028 MICXCRLGEJTMMY-UHFFFAOYSA-N 257.377 3.939 30 20 CHED C[C@@H]1O[C@H](C)C[C@@H]1C/N=C/c1c(O)ccc2ccccc12 840712802 MEFITFGWQZRWDX-GSAGMSIUSA-N 283.371 3.778 30 20 CHED CC[C@H](Cc1ccc(F)cc1)Nc1ncccc1C#N 596318223 RIXQKUCZVQBXHX-OAHLLOKOSA-N 269.323 3.526 30 20 CHED CCCCc1ccc(C(=O)N(C2CC2)[C@H](C)C#N)cc1 598128015 XDJAEINJFLUPOZ-CYBMUJFWSA-N 270.376 3.546 30 20 CHED C=CCCCOC(=O)[C@@]1(C)CCc2ccccc2C1 745668266 UHWSRHNTIDVEHW-KRWDZBQOSA-N 258.361 3.691 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccccc2COC)c1 914557509 HQKMKBMZWUBSPE-UNOMPAQXSA-N 299.370 3.556 30 20 CHED N#CC[C@@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1 595621910 ZMDZPLIBQXSDTD-AWEZNQCLSA-N 297.427 3.936 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)/C=C\c1ccccc1C#N 748764805 NMJRMCVBPPWRBH-DOOKAGJSSA-N 282.387 3.609 30 20 CHED CCCCCCCCC(=O)Nc1nc(C)cc(C)n1 916657417 AGEQNONWZMUPJJ-UHFFFAOYSA-N 263.385 3.783 30 20 CHED C=C[C@H](C)ONC(=O)c1sc(C2CCCCC2)nc1C 846547154 CDKHKNPOFZTLCU-JTQLQIEISA-N 294.420 3.735 30 20 CHED COc1ccc(C)cc1[C@@H](C)N[C@H](C#N)c1ccccc1 595408819 MQSYASINYPGIAF-RHSMWYFYSA-N 280.371 3.919 30 20 CHED CCc1ccc(N(CC(C)C)C(=O)[C@H](C#N)CC)cc1 846054656 ONHOMSRGYKACSY-HNNXBMFYSA-N 272.392 3.788 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CCCC(C)(C)C2)n1 598854873 VVDWTYJBRPFGMS-CYBMUJFWSA-N 285.391 3.725 30 20 CHED Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc(Cl)cc1 849240922 YZNQXYAJZUNUKL-HJWRWDBZSA-N 286.762 3.847 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCCCCCC1 847076888 VCTISIFRTHZAEJ-MRXNPFEDSA-N 298.430 3.920 30 20 CHED CCCC[C@](C)(F)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 857601687 QQSYQRMASCDJGD-ZFWWWQNUSA-N 296.773 3.939 30 20 CHED C=CC[C@@H](C(=O)NCc1ccoc1C)c1ccccc1 681660328 YREFHOSAYOZOGI-MRXNPFEDSA-N 269.344 3.564 30 20 CHED CCCCCCCCNC(=O)Cn1cc2ccccc2n1 755215852 KVYKGQXNSUZZBP-UHFFFAOYSA-N 287.407 3.513 30 20 CHED CCCCCCCNC(=O)N[C@@H](C)c1c(C)noc1C 858111748 RHGAYAMWWIDBAC-NSHDSACASA-N 281.400 3.622 30 20 CHED CCCCCCCNC(=O)N[C@@H](C)c1cnn(C(C)C)c1 858111842 VPHRDCQTVKHMOI-AWEZNQCLSA-N 294.443 3.795 30 20 CHED Cc1ncsc1C=NOc1ccccc1C(F)(F)F 754712982 YJRZQUZOZCACJL-UHFFFAOYSA-N 286.278 3.883 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](CC)c1ccc(Cl)cc1 753243272 NUBOLUNKEDCMNK-ZIAGYGMSSA-N 278.783 3.502 30 20 CHED CC(C)C#CC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 854893430 LTAPPFNSCNFXCA-GOEBONIOSA-N 289.806 3.752 30 20 CHED CC(C)ON=CCc1cccc(OC(F)(F)F)c1 853353961 QNBDWJATRAPMER-UHFFFAOYSA-N 261.243 3.539 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc(F)c1Cl 851208896 GQRRDNWSHQOYKC-VIFPVBQESA-N 283.730 3.964 30 20 CHED C#CC[C@@H](N[C@@H](C)c1ccc(F)cc1O)c1ccccc1 756774213 ANIAUGWQVIPTOV-SUMWQHHRSA-N 283.346 3.947 30 20 CHED CCc1onc(C)c1CN[C@H]1CCCc2cc(C#N)ccc21 927140213 PIMLFVXNLVJZDM-KRWDZBQOSA-N 295.386 3.584 30 20 CHED CC(=NNC1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] 758105451 AAZXPFKAEWEWRW-UHFFFAOYSA-N 281.743 3.504 30 20 CHED C#CCNc1ccccc1O[C@H](C)c1ccccc1 754308080 LDFGBOULUDDVKP-CQSZACIVSA-N 251.329 3.872 30 20 CHED COc1cccc(/C=N\[C@H](C)c2ccc(F)cc2F)c1O 752152241 FTICRWYCPIIKHM-DWOMLUCJSA-N 291.297 3.859 30 20 CHED C=CCCCC(=O)N1CCC2(CCc3ccccc3O2)CC1 856176156 OGGAEHKTARDOFE-UHFFFAOYSA-N 299.414 3.729 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)C1 855257082 XCBOPVYUHHVDRN-SZMVWBNQSA-N 296.414 3.723 30 20 CHED C#CCCCOc1cccnc1N[C@H]1CC[C@@H](SC)C1 853386223 YLTWDPPNBYCUSA-UONOGXRCSA-N 290.432 3.570 30 20 CHED Clc1ccc(NN=C2CCC3(CCCO3)CC2)nc1 853438022 YLTNSCGDCSKSCN-UHFFFAOYSA-N 279.771 3.626 30 20 CHED CCCCCCCCNC(=O)N(C)C1CCC(CO)CC1 755074080 CEFWDZHJPMGOGC-UHFFFAOYSA-N 298.471 3.539 30 20 CHED C=C[C@@H](C)NC(=O)Nc1nc(C)c(-c2ccccc2)s1 756824805 ZASJTCVMAWSVSB-SNVBAGLBSA-N 287.388 3.815 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1nnc(C)s1 758339173 SYWDHRCJEJMEGW-NSHDSACASA-N 283.441 3.573 30 20 CHED C#CCOc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 755350128 NOIPTSCYGFHQPU-UHFFFAOYSA-N 299.757 3.913 30 20 CHED C=CC1CCN(C(=O)c2cc3c(C)cccc3o2)CC1 932507200 XYFIUYOQGAXJIB-UHFFFAOYSA-N 269.344 3.779 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc2ccsc2[nH]1 851214427 ZLBKTZWPYOXCSZ-VIFPVBQESA-N 276.361 3.715 30 20 CHED CN(C)c1ccc(CNc2ccc(F)c(C#N)c2)cc1F 762652014 LPUZKBFAWYEGBX-UHFFFAOYSA-N 287.313 3.515 30 20 CHED CC(=NNc1cccc(C)n1)c1c(C)nn(C(C)C)c1C 863162208 XRGWDJRMOVNHST-UHFFFAOYSA-N 285.395 3.620 30 20 CHED CCC(=NNc1nccnc1C1CCC1)c1ccc(N)cc1 863112297 CRHLKDZVVQOMIH-UHFFFAOYSA-N 295.390 3.553 30 20 CHED C#CCCCSc1nc(C)c(C)n1CC(C)C 766289267 ZDPYYDYULJRJTK-UHFFFAOYSA-N 250.411 3.661 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(N(C)C)cc1 764435631 RNBFLAUVWYABEJ-HJWRWDBZSA-N 287.384 3.719 30 20 CHED N#Cc1ccc(SCc2ccc(Cl)nc2)cc1 769659185 GAVPLALKPFYDPY-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(O)c(Cl)c1 768784585 RQRDRSDLTNHLST-UHFFFAOYSA-N 296.157 3.930 30 20 CHED FC(F)(F)CNN=C1CCCc2ccc(Cl)cc21 769814765 LHAZTACVMDUTCB-UHFFFAOYSA-N 276.689 3.532 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)[C@H](C#N)c1ccncn1 760350621 BQPQXIQRWZFLOY-HUUCEWRRSA-N 285.391 3.649 30 20 CHED C=C(CN[C@H](C)c1c(CC)noc1C)c1ccccc1 769871461 GWJUZCPXXRWNAQ-CYBMUJFWSA-N 270.376 3.909 30 20 CHED C#CCCCCc1nc([C@@H]2CCCc3ccccc32)no1 761559323 PRKLCVQXBVDOLZ-MRXNPFEDSA-N 280.371 3.884 30 20 CHED CC(C)C#Cc1nnc(-c2ccc(Br)s2)o1 1118426097 HHTDZJHMJWMHBB-UHFFFAOYSA-N 297.177 3.568 30 20 CHED CC#CCCCC(=O)N[C@@H](CC)c1ccc(F)cc1 1116610177 QOJMHJJBNZDJEX-HNNXBMFYSA-N 261.340 3.587 30 20 CHED C(=NOC1CCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 774608048 KPLWNRAQKWKEAL-KRWDZBQOSA-N 289.375 3.538 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccc3c(c2)CCC3)c1 1116132163 VQJGZKROOREGCE-CSKARUKUSA-N 273.335 3.943 30 20 CHED N#Cc1ccc(OC(=O)CCC2CCCCC2)cc1 876477776 OBLRNIQKXMOTLU-UHFFFAOYSA-N 257.333 3.824 30 20 CHED C[C@@H](c1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1117248754 LZEXGKQDZKCJCS-LBPRGKRZSA-N 275.311 3.760 30 20 CHED C=CCC[C@H](NC(=S)N[C@@H](C)CC)c1ccccc1 771851910 WOLBBJWRMWAVQU-ZFWWWQNUSA-N 276.449 3.957 30 20 CHED CCO[C@H]1CCCC(=NNc2ccc(C(C)(C)C)nn2)C1 1119559310 HJXMEQUHXGPQEL-ZDUSSCGKSA-N 290.411 3.521 30 20 CHED C=CCCCCCCN[C@H](C)CC1(C#N)CCOCC1 877523157 UGIYUNOJZMSBBW-MRXNPFEDSA-N 278.440 3.811 30 20 CHED CC(=O)[C@@](C#N)(CCN1CCCC(C)(C)C1)c1ccccc1 878101225 PJMOUEMZLLDMBR-IBGZPJMESA-N 298.430 3.549 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cnccc1C 771562331 FBKSYBASPLRYEG-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C#CCCCCCC(=O)Nc1cc2c(cc1Cl)OCO2 779759721 MRBMJPCLQOJGDO-UHFFFAOYSA-N 293.750 3.591 30 20 CHED C#CCOc1ccccc1NC(=O)CCCCCCC 775950146 GHJCFWUNAWHILC-UHFFFAOYSA-N 273.376 3.998 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cccc(C(=O)O)c1 774136693 CSWIKTSNECQONL-WAYWQWQTSA-N 272.325 3.651 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1ccccc1OC 1120733183 ILGXTTFUZRVTPL-INIZCTEOSA-N 287.403 3.585 30 20 CHED C=CCN(C(=O)NCc1cccc(C(C)C)c1)C(C)C 776196607 HIGWRXIHAZQYES-UHFFFAOYSA-N 274.408 3.916 30 20 CHED C=CCCCCCOC(=O)c1cnn(C(C)C)c1C 784507124 UOYAFMNTWGLXAQ-UHFFFAOYSA-N 264.369 3.676 30 20 CHED C=C(C)CN(C)c1nnc(-c2oc3ccccc3c2C)n1C 1121370212 FDRNOCJJMXGHJL-UHFFFAOYSA-N 296.374 3.549 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887699170 OZTYGHYRUACCKS-UHFFFAOYSA-N 296.414 3.867 30 20 CHED C=CCCN(C[C@@H](O)c1ccccc1)OCc1ccccc1 782669087 KWQJYTCFPXVGHX-LJQANCHMSA-N 297.398 3.730 30 20 CHED CCCCCCCN[C@@H](C)Cc1cccc(OC)n1 783525129 FZAXRERJLMNMAI-AWEZNQCLSA-N 264.413 3.581 30 20 CHED CC(=NOCc1ccccc1)c1cnn(C(C)C)c1C 787151687 JLLAIOBHZLIPMX-UHFFFAOYSA-N 271.364 3.713 30 20 CHED CC(C)C(C)(C)NC(=O)Nc1ccccc1O[C@@H](C)C#N 780682357 UNTYHHNHVJOSKR-LBPRGKRZSA-N 289.379 3.534 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCCc2ccccc21 78052168 POQHUBGAICVJTG-MRXNPFEDSA-N 256.393 3.984 30 20 CHED CC[C@H]1CC[C@H](C(=O)O[C@H]2CCC[C@@H](C#N)C2)CC1 1129609675 YNSCHJBBVCAWHU-TUVASFSCSA-N 263.381 3.828 30 20 CHED C=C1CCC(C(=O)N2CCC([C@H]3CCCCO3)CC2)CC1 898789643 OJWYVEIZBXOHSI-QGZVFWFLSA-N 291.435 3.541 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccccc2Cl)s1 782218944 MAKFWNLJQCZPTC-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C[C@@H](NCc1cccc2c1NCCC2)c1cccc(C#N)c1 894308394 QUXJNYCIYCJKNZ-CQSZACIVSA-N 291.398 3.767 30 20 CHED Cc1cc(O)nc2ccc(NC(=O)CCCCCC#N)cc12 898942509 UKQOCPXPVOGPLB-UHFFFAOYSA-N 297.358 3.661 30 20 CHED COc1cc(NN=Cc2[nH]c(C)cc2C)ccc1Cl 788467215 FVIWCJPSRKRMEU-UHFFFAOYSA-N 277.755 3.740 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)CCc2ccc(O)cc21 899372868 YFJKWIAPJCFBTI-RIYZIHGNSA-N 294.354 3.526 30 20 CHED C=CCC(C)(C)c1noc([C@@H](O)C2CCCCC2)n1 896328578 PMXVNRRDKHGMBM-LBPRGKRZSA-N 264.369 3.537 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(Cl)s2)c1 171197670 UKUKOIJTGACIQE-UHFFFAOYSA-N 275.760 3.659 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H]2Cc3ccc(F)cc32)cc1 793581341 LLJGBXBHWDWZNM-QGZVFWFLSA-N 298.313 3.636 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC1CC1)C(C)C 894027591 KIEDSZLUQPWYDT-CYBMUJFWSA-N 252.402 3.561 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C=C1CCCC1 799442618 RJFOZDYYZQVRNE-UHFFFAOYSA-N 255.317 3.526 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NN[C@@H](C)C(C)(C)C 793112216 RLHKCUUWVDEPQL-NSHDSACASA-N 275.371 3.974 30 20 CHED C=CCC1(C(=O)Nc2ccc(NC(C)=O)c(C)c2)CCC1 790264280 UXRGANVRSWRLKK-UHFFFAOYSA-N 286.375 3.638 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc2ccccc2c1 553002934 QMNVBIUCQKBXSS-GJZGRUSLSA-N 269.388 3.675 30 20 CHED CC[C@@H](C)NN=C(C)[C@H](C)c1ccc(OC)c(OC)c1 794535857 QJBGSYHMOLHXKA-NEPJUHHUSA-N 278.396 3.571 30 20 CHED N#Cc1cnccc1N1CCC[C@@H](C2CCCCC2)C1 708223859 QCFKLKUVQWMQQH-OAHLLOKOSA-N 269.392 3.750 30 20 CHED C=CCN(CCOC)Cc1ccc(Cl)cc1Cl 561635072 PGPILYBTIBUQPB-UHFFFAOYSA-N 274.191 3.628 30 20 CHED N#Cc1ccc(Cl)cc1NCC1(O)CCCCCC1 80119671 QLZZCQLCLDGMTR-UHFFFAOYSA-N 278.783 3.709 30 20 CHED N#CC[C@@H]1CCCN(CCSC2CCCCC2)C1 595623555 TXVNAXOWRQYZQU-AWEZNQCLSA-N 266.454 3.678 30 20 CHED C#Cc1cccc(N[C@H](C)Cc2ccc(F)cc2)c1 133859827 DVQNMEXORXQIEX-CYBMUJFWSA-N 253.320 3.850 30 20 CHED CC(=NN=C(c1ccccc1)c1ccccc1)c1ncc[nH]1 790141454 HJJKCOOKOFYKPW-UHFFFAOYSA-N 288.354 3.671 30 20 CHED Fc1cccnc1NN=C1CCC[C@@H](C(F)(F)F)C1 794988923 AWUHOFZDFDEGOS-MRVPVSSYSA-N 275.249 3.741 30 20 CHED C#CCOc1ccc(CNc2cnn([C@H](C)CC)c2C)cc1 791005229 QXIVMNRYYQVIRD-CQSZACIVSA-N 297.402 3.787 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(C)c2ccc(C#N)cc2)CC1 568512731 GIKDJZZXWFQMFV-HNNXBMFYSA-N 268.360 3.658 30 20 CHED CSCc1cccc(NC(=O)c2ccc(C)c(C#N)c2)c1 799334458 ZSTSKIYGSAVJTH-UHFFFAOYSA-N 296.395 3.982 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2ccccc2O)cc1 797005493 BYIPMTWGMFNKTD-CQSZACIVSA-N 283.371 3.808 30 20 CHED N#CCc1cccc(C(=O)Oc2ccc3cccnc3c2)c1 791856017 QSNJCKRWPPWGBA-UHFFFAOYSA-N 288.306 3.520 30 20 CHED COc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1OC(C)C 799723610 NXMIXTFPONJCMQ-OLZOCXBDSA-N 274.364 3.587 30 20 CHED COc1cc(C=NN[C@@H](C)C(C)(C)C)ccc1SC 793114683 MPEGJKWKHDEZOD-NSHDSACASA-N 280.437 3.775 30 20 CHED C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@H](C)C1(F)F 599118170 QLKNCPFJJXKQIO-UWVGGRQHSA-N 284.737 3.939 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(Cl)s2)c1 730976562 UHADFYAYUADUDO-UHFFFAOYSA-N 291.759 3.666 30 20 CHED CCCCCCCCCCC(=O)N1C[C@H](O)[C@H](CC)C1 760983204 JOLUAWQUMBJXRK-CVEARBPZSA-N 283.456 3.747 30 20 CHED CCCCCCCCN1CC[C@@H](C(F)(F)F)[C@@H](CN)C1 697663084 UPOLUSNSNYXSMP-UONOGXRCSA-N 294.405 3.806 30 20 CHED N#Cc1cc(Cl)ccc1NCCCOCC(F)(F)F 91453105 MFBCPVBGMFEUHK-UHFFFAOYSA-N 292.688 3.593 30 20 CHED C=C[C@@H](C)OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 781583509 RUICIICQEVZRIN-LLVKDONJSA-N 291.347 3.765 30 20 CHED CC(C)N(CCc1ccccc1)CC1(CC#N)CC1 1167217790 KICTZPOQEKNUEZ-UHFFFAOYSA-N 256.393 3.633 30 20 CHED C=CCC[C@@H](Nc1ccc(CCC(N)=O)cc1)c1ccco1 1321859496 ZBIUGIQTCCUGDA-MRXNPFEDSA-N 298.386 3.817 30 20 CHED C(=NNc1cccc2cnccc12)c1cccc2cn[nH]c12 1320884561 DSHOHQJEZHZHRR-UHFFFAOYSA-N 287.326 3.557 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)N=c1cc[nH]c(C#N)c1 1185354062 APSDSDHUDHXKBQ-GOSISDBHSA-N 279.387 3.883 30 20 CHED COc1cccc2c1CCC2=NNc1cc(Cl)ccn1 1324989028 PESQRBKSOPTVPU-UHFFFAOYSA-N 287.750 3.506 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1254970596 HWJRMFOAHNUVHT-SNVBAGLBSA-N 281.758 3.706 30 20 CHED C=C(C)CCC(=O)N(Cc1ccccc1F)C1CC1 1336893739 IVURATPEEMVCDS-UHFFFAOYSA-N 261.340 3.673 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2oc(C)nc2c1 1339151143 AHKQSJVSNIHQDG-CQSZACIVSA-N 284.359 3.707 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)CCc1cccc(F)c1 1349906914 NHGIZMGHICWPNQ-BBRMVZONSA-N 290.382 3.545 30 20 CHED CCC[C@H](Nc1ccc(OCC#N)cc1)c1cccnc1 1342406908 FSJFENVCDWHNTA-KRWDZBQOSA-N 281.359 3.937 30 20 CHED CCCCCCCCCC(=O)N1C[C@H](F)[C@H](F)C1 1347903573 IUQWQCLXSVMRKF-BETUJISGSA-N 261.356 3.646 30 20 CHED CCc1ccc(F)cc1C(=O)N[C@H](C)c1ccc(C#N)cc1 1355478275 RPLLXFPWEXKICQ-GFCCVEGCSA-N 296.345 3.751 30 20 CHED CC1(C)CCC(C)(CNC(=O)c2ccsc2C#N)CC1 1436797951 UNEWDXAAGWFDHI-UHFFFAOYSA-N 290.432 3.956 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(C)c(C#N)c1 1358244277 GEELAUICDLLLCB-WMLDXEAASA-N 284.403 3.955 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1529198843 ULFLCLIATDZPQJ-RDJZCZTQSA-N 298.430 3.969 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1nccn1C(F)F 1459138784 CCSBSQSPVUOINY-UHFFFAOYSA-N 297.692 3.691 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cc(C(=O)O)cs1 1602836579 YNWPOQPBOHTSOA-JTQLQIEISA-N 267.394 3.699 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cc(C#N)c(F)cc1F 1477014712 DICZODDAPLOMGF-UHFFFAOYSA-N 295.333 3.927 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Nc2ccccc2)cc1 1540614130 WLGJGZRJPARKPQ-ZDUSSCGKSA-N 279.343 3.918 30 20 CHED CC[C@@H]1C[C@H]1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 1559554576 GFRCTFMJKNHFTI-BZZMCLGOSA-N 268.404 3.804 30 20 CHED CCC[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)C(C)C 120696789 MMUWDKXACQIFOM-GJZGRUSLSA-N 264.413 3.647 30 20 CHED N#Cc1ccc(NCc2ccc(-c3cccs3)cc2)nn1 1559231980 OKSKNFRCJXGIJU-UHFFFAOYSA-N 292.367 3.689 30 20 CHED CC(C)(Nc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1636827412 IISQHTAFNXNQBE-UHFFFAOYSA-N 293.370 3.582 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CCC[C@@H](SC)C1 1560744327 KIQPGLYBVAEHSO-QWHCGFSZSA-N 276.405 3.653 30 20 CHED CCOc1cc(Br)ccc1N[C@@H](C#N)CC 122263400 JSKWJUYLMOMHHP-SNVBAGLBSA-N 283.169 3.562 30 20 CHED N#Cc1ccc(SCc2ccc(C#N)s2)cc1 1640866816 SUGPDDJXINSTTH-UHFFFAOYSA-N 256.355 3.784 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)[C@@H](C#N)CC 1641779664 CPLUIXCRAQSOHT-HUUCEWRRSA-N 266.429 3.991 30 20 CHED C[C@@H](COCc1ccccc1)CSc1ccc(C#N)cn1 1643636581 PLQVYROKOJXIGO-AWEZNQCLSA-N 298.411 3.898 30 20 CHED CC[C@H](Nc1cccc(F)c1C#N)c1ccccn1 1643206129 CJBRQQFJXGLORF-ZDUSSCGKSA-N 255.296 3.656 30 20 CHED Cc1cc(N(C)[C@H](C)C2CCCCC2)ncc1C#N 1651008165 SJZYMZZBXHNLAD-CYBMUJFWSA-N 257.381 3.667 30 20 CHED C#CCCCCCCNc1ccc(C(=O)O)cc1OCC 1588442786 XOJCYCOEAHYUBJ-UHFFFAOYSA-N 289.375 3.779 30 20 CHED CC[C@H](Cc1ccccc1)N(C)c1nccc(C)c1C#N 1650798993 WISDWNVBCXBZTB-MRXNPFEDSA-N 279.387 3.719 30 20 CHED Cc1cccc(-n2ccnc2S[C@@H](C#N)C2CC2)c1C 1652569844 WXPSARNPRIYWPY-HNNXBMFYSA-N 283.400 3.883 30 20 CHED Cc1cc(=NCC2(c3ccccc3)CCCC2)c(C#N)c[nH]1 1651339242 NSUZSORCDWMWDU-UHFFFAOYSA-N 291.398 3.608 30 20 CHED CCCOc1cccc(Nc2cc(C)c(C#N)cn2)c1 1651365318 IGZBYDFORRJZOK-UHFFFAOYSA-N 267.332 3.794 30 20 CHED CC[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1C 1585516170 LCGOBWLEPNDHTP-KGLIPLIRSA-N 284.403 3.748 30 20 CHED CC[C@H](C#N)C(=O)N1Cc2ccccc2-c2ccccc21 1583180372 RXQNMROIHZTKSB-CYBMUJFWSA-N 276.339 3.750 30 20 CHED Cc1ccc(SCCC2(C(=O)O)CCC2)c(C#N)c1 1594377995 OLUSKXJARWRDHA-UHFFFAOYSA-N 275.373 3.604 30 20 CHED CCCCCCCCn1cc(C(=O)O)nc1C1CC1 1595704525 SGPYJHNIPIKESI-UHFFFAOYSA-N 264.369 3.819 30 20 CHED CCCC[C@@H](SCc1ccc(C#N)c(F)c1)C(=O)O 1595657274 KAEWAQRXDJSJJY-CYBMUJFWSA-N 281.352 3.574 30 20 CHED N#Cc1cc(CNc2ccc(F)c(F)c2F)ccc1F 123793567 WCLGWGXOEQMQKX-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C=C(CNC(=O)NC[C@H]1CCC[C@H](C)C1)c1ccccc1 1675971054 UXPZMVHCZPDIES-HOCLYGCPSA-N 286.419 3.825 30 20 CHED C=C(Cl)Cn1c(N2CC[C@H](C)[C@H]2C)nnc1C(C)(C)C 1760386784 JQHQUWGSLVTCGU-CMPLNLGQSA-N 296.846 3.563 30 20 CHED O=C(O)c1ccccc1NN=C1CCCCc2ccccc21 1776029930 PMPLTYSNHVAIHC-UHFFFAOYSA-N 294.354 3.927 30 20 CHED C[C@H](/N=C/c1ccccc1O)c1ccc(F)cc1F 5293540 YCWXLVCNJZEUQL-NTOSSWPYSA-N 261.271 3.851 30 20 CHED Cc1cccc(CSCC(=O)Nc2cccc(C#N)c2)c1 11370641 CLVMLLKAKOSHDB-UHFFFAOYSA-N 296.395 3.739 30 20 CHED CCc1nnc(N[C@H](C)C[C@@H](C)CC)c(C#N)c1CC 124996326 BEMYEBOTDCTUPV-NWDGAFQWSA-N 274.412 3.710 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NC(C)(C)C 150722798 KAFVTJKWMKPWRZ-UHFFFAOYSA-N 286.828 3.898 30 20 CHED C#CCCOc1ccc(CNc2ccc(SC)cn2)cc1 150887339 OEDGEGISGQSLNZ-UHFFFAOYSA-N 298.411 3.818 30 20 CHED Cc1cc(CNc2ncccc2OCCCC#N)ccc1F 162235558 YSTLUDFIYATCCD-UHFFFAOYSA-N 299.349 3.824 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)CSCc1ccccc1 162786164 ONJOORJGYQZDKK-KBPBESRZSA-N 277.433 3.637 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)nc(C(C)C)n1 160257168 OFGVUUOVKVUACA-UHFFFAOYSA-N 273.380 3.615 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(C(F)(F)F)n1 160297977 QCIFKSUCAINOFN-UHFFFAOYSA-N 284.281 3.807 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2cc(F)ccc2C#N)n1 160369108 XMPVHNBSRRWKPI-GOSISDBHSA-N 295.361 3.738 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccnc1Cl 153294245 YRSZQIRDVZCVCE-UHFFFAOYSA-N 281.787 3.945 30 20 CHED N#CC1(C(=O)Nc2ccc(COC3CCCC3)cc2)CCC1 157656012 RTUYCXGTXVYZBF-UHFFFAOYSA-N 298.386 3.778 30 20 CHED CC[C@@H](CC(=O)N[C@@](C)(C#N)CC)c1ccc(C)cc1 157928521 IBQGALIYZRSDEL-WMLDXEAASA-N 272.392 3.687 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cncc(-c2ccccc2)c1 154415788 KJTFDXLUQWCUPF-MRXNPFEDSA-N 294.354 3.844 30 20 CHED CC(C)(CCC#N)CNCCCOC1CCCCC1 135135134 LCLQXSQWZTVEDK-UHFFFAOYSA-N 266.429 3.645 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1-c1cccs1 1290619197 MTEFDOONDOWYGE-LLVKDONJSA-N 270.357 3.903 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NCc1cccc(C#N)c1 155898783 MHJWFCCDRTUMJA-XJKSGUPXSA-N 256.393 3.863 30 20 CHED Cc1ccc(C)c(NC(=O)Nc2cccc(C#N)c2)c1 48682840 SNAPSJBYSHMJKS-UHFFFAOYSA-N 265.316 3.819 30 20 CHED N#Cc1cccc(CCNCc2cccc(Cl)c2F)c1 466422561 MSXXELAIXCWLCN-UHFFFAOYSA-N 288.753 3.683 30 20 CHED COc1cc(F)cc(CNc2ccc(C#N)c(Cl)c2)c1 301941677 WGFDTVPUYFSWOZ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@@H](CCC#N)SCCN(C)Cc1ccccc1 193632710 NPFGEQFARPAFKS-AWEZNQCLSA-N 262.422 3.544 30 20 CHED CC[C@H](C)[C@@H](C(=O)NCCCCC#N)c1ccccc1 70940617 MXQJNDALPYSJRG-GOEBONIOSA-N 272.392 3.626 30 20 CHED CC[C@H](C#N)NC(=O)c1sc2cc(F)ccc2c1Cl 608816628 UVWLQVFFTMOKRD-MRVPVSSYSA-N 296.754 3.726 30 20 CHED C#CCN(C)CCCN[C@@H](C)c1ccc(Cl)c(Cl)c1 328167412 JPMMHBBFDOTIIS-LBPRGKRZSA-N 299.245 3.599 30 20 CHED CCc1ccccc1CNc1ncc(C#N)cc1Cl 525357763 SXSNDWXLLOQKGC-UHFFFAOYSA-N 271.751 3.781 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)cc1C#N)C1CCC1 702271271 IARRATYROPJNQE-VIFPVBQESA-N 262.740 3.586 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H](C)C(C)(C)C 471170378 VJHJXGIIZSWFHE-ZDUSSCGKSA-N 266.429 3.990 30 20 CHED Cc1ccc(C#N)cc1OC[C@@H]1CCCC1(F)F 381596723 FOFXCVUMRGHOLW-LBPRGKRZSA-N 251.276 3.681 30 20 CHED Cc1cccc(C(=O)Nc2ccc(Cl)cc2C#N)c1 695704043 JPEVPBOTYABALA-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC(C)(C)c1ccccc1 695814904 HNNMMERJCIOVQI-AWEZNQCLSA-N 258.409 3.882 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cccc2ncccc12 720530633 SQPCRZXLEDXJEY-CYBMUJFWSA-N 267.376 3.653 30 20 CHED Cc1ccc(Nc2nnc(S[C@H](C)C#N)s2)cc1C 4835565 SDCGVIVIWQLCNB-SNVBAGLBSA-N 290.417 3.903 30 20 CHED COC(=O)c1cccc(CSCc2ccccc2C#N)c1 7846837 VMDDRHXHLAIKHP-UHFFFAOYSA-N 297.379 3.778 30 20 CHED C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(C#N)cc1 111410819 XXJIWNSRPJPOKS-ACJLOTCBSA-N 262.356 3.581 30 20 CHED C=CCCC(=O)N(CCC)[C@H]1CCc2ccccc2C1 102240109 PUMQLXPKAUDXSB-KRWDZBQOSA-N 271.404 3.749 30 20 CHED CCCCCCCOc1ccc(C(=O)N(C)C)cc1 59926409 ZNQDLINEHLINQZ-UHFFFAOYSA-N 263.381 3.738 30 20 CHED C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(C#N)cc1 179893716 IZKPSIXHUPASJT-ZDUSSCGKSA-N 293.370 3.560 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@H](C#N)c1ccccc1F 108799597 SKYFXCSDGJOQMH-SWLSCSKDSA-N 276.355 3.579 30 20 CHED C=CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 105039892 TZRZPZMODLLMFN-UHFFFAOYSA-N 293.326 3.658 30 20 CHED CC(C)(CNC(=O)Nc1ccc(C#N)cc1)c1cccs1 114513370 NIJKCKAETQATHO-UHFFFAOYSA-N 299.399 3.719 30 20 CHED C=CCCC(=O)Nc1ccc(C)cc1Br 54400195 LZISTLDMOYVTBA-UHFFFAOYSA-N 268.154 3.662 30 20 CHED CC[C@H](/N=C/c1cc(OC)ccc1O)c1nc(C)cs1 105356618 PJYHSGYQLQHPJQ-MJOIQJIUSA-N 290.388 3.736 30 20 CHED C=CC1CCN(C(=O)c2cccc(C)c2Cl)CC1 179070184 CMKGLRYYZCEXMI-UHFFFAOYSA-N 263.768 3.687 30 20 CHED N#Cc1c[nH]c(C(=O)Nc2cccc(-c3cccs3)c2)c1 175509687 KFILCIIFPNLTFU-UHFFFAOYSA-N 293.351 3.867 30 20 CHED C=CCCC(=O)NCCc1nc(C2CCCCC2)cs1 111095598 KGHYNQZYLKQELL-UHFFFAOYSA-N 292.448 3.816 30 20 CHED C[C@H](NC1CCN(C2CCCC2)CC1)c1ccc(C#N)cc1 178643803 HXSMBWIRHFYYBN-HNNXBMFYSA-N 297.446 3.616 30 20 CHED C=CCCCS[C@H](C)C(=O)Nc1ccc(OC)cc1 117944710 XGCACLNOMMVYBO-GFCCVEGCSA-N 279.405 3.722 30 20 CHED CC(C)(C#N)CCCN1CCCc2cc(F)ccc21 174818999 RDZDZUXSBOAQPC-UHFFFAOYSA-N 260.356 3.908 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccccc2)nc1 171437475 FIWOSXRIDXJPFM-UHFFFAOYSA-N 268.316 3.779 30 20 CHED N#Cc1ccnc(Sc2ccccc2Cl)c1[N+](=O)[O-] 301616897 CEFLJELSPJKSAO-UHFFFAOYSA-N 291.719 3.666 30 20 CHED CC(C)CCOc1ccccc1CNc1cccc(C#N)n1 301284188 PVMBNGPDZGGIFC-UHFFFAOYSA-N 295.386 3.990 30 20 CHED N#Cc1ccsc1NC(=O)C1(Cc2ccccc2)CC1 176827881 CUSRVTKFJIRXEI-UHFFFAOYSA-N 282.368 3.581 30 20 CHED Cc1nc(C)c(CCNc2c(F)cc(C#N)cc2F)s1 301213418 WKULCULNRUKMAI-UHFFFAOYSA-N 293.342 3.564 30 20 CHED Cc1nc2ccccc2n1CCCNc1ccc(C#N)cc1 301099647 QMNAECHCPIMRRL-UHFFFAOYSA-N 290.370 3.719 30 20 CHED CC(C)c1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1 173332368 JRVXIAAPECAWFF-UHFFFAOYSA-N 297.362 3.564 30 20 CHED C=C(Br)CNC(=O)[C@@H](CC)CC1CCCC1 114320619 KBQMUINNJMXARW-LBPRGKRZSA-N 288.229 3.618 30 20 CHED CCC[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 60388801 IULGIUJFEOPUHP-JTQLQIEISA-N 276.405 3.873 30 20 CHED C=CCOc1cccc(NC(=O)NC(C)(C)CC)c1 175772532 NKBHAOVBZJKEJT-UHFFFAOYSA-N 262.353 3.562 30 20 CHED N#Cc1nc(N2CCCc3sccc3C2)ccc1Cl 67372497 WAFOBEWQJZNCAQ-UHFFFAOYSA-N 289.791 3.621 30 20 CHED C[C@H](CNCC(C)(C)CCC#N)Oc1ccccc1F 174602308 YRLNSGBQICTHOJ-CYBMUJFWSA-N 278.371 3.513 30 20 CHED CC(C)COc1cncc(N[C@@H](C)c2cccc(C#N)c2)n1 301576164 QHFDKEUFHYHRQB-ZDUSSCGKSA-N 296.374 3.556 30 20 CHED COc1ccc([C@H]2CCN(CCCC(C)(C)C#N)C2)cc1 174838822 OQVXTQLJKZHMTG-INIZCTEOSA-N 286.419 3.814 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1c1c(C#N)cccc1C#N 302910865 ZHWVVWWOZTXFQM-KDOFPFPSSA-N 287.366 3.812 30 20 CHED CCCC(C#N)(CCC)NC(=O)CO[C@@H]1CCC[C@H](C)C1 121722050 XQZFDACHKRZFDM-LSDHHAIUSA-N 294.439 3.560 30 20 CHED C[C@@H](C[C@@H](O)c1cccs1)Nc1cccc(F)c1C#N 128881722 DZJIHDOTWKBBES-IINYFYTJSA-N 290.363 3.683 30 20 CHED COc1ccc(C#N)cc1NCc1sccc1Cl 426144236 CMTZFFMEWKPCAK-UHFFFAOYSA-N 278.764 3.894 30 20 CHED N#CCCCOc1cccc(N[C@@H]2CCc3cccnc32)c1 318336199 SDHUORALSBRVLJ-QGZVFWFLSA-N 293.370 3.864 30 20 CHED C=CCC(CC=C)C(=O)NCCCc1ccc(OC)cc1 125865289 VKXYFTSPMQSECT-UHFFFAOYSA-N 287.403 3.512 30 20 CHED C=CCSCCN[C@@H](CC)c1ccccc1OC 180458031 IVISXNBMFMOXAL-AWEZNQCLSA-N 265.422 3.655 30 20 CHED N#Cc1ccc(NCc2ccco2)cc1C(F)(F)F 37306339 FTGPVONSLPXGJR-UHFFFAOYSA-N 266.222 3.782 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1cc(C)sc1C 79336199 AERNWPUUUJDYCX-LBPRGKRZSA-N 278.421 3.810 30 20 CHED N#CC1(CNC(=O)Nc2cccc(C(F)(F)F)c2)CCC1 416737103 TWWCKEJOGGRTTG-UHFFFAOYSA-N 297.280 3.521 30 20 CHED C=CC[C@H](C(=O)N(CC)CCCC)c1ccccc1 186392924 SGGAENUYJOVQBK-INIZCTEOSA-N 259.393 3.995 30 20 CHED CS[C@H]1CCCCN(Cc2ccc(C#N)c(C)c2)C1 488119879 CYKHYVDTXGMZKS-INIZCTEOSA-N 274.433 3.584 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CCCCC1 416095023 BOMHPUMJHCFIQJ-KRWDZBQOSA-N 282.387 3.632 30 20 CHED CC(NCCCC#N)(c1ccccc1)c1ccccc1 182214137 HUJQGKXKKXAAJI-UHFFFAOYSA-N 264.372 3.843 30 20 CHED N#CCN(C(=O)c1ccc(F)c(Cl)c1F)C1CCCC1 181988905 DEJXLNUWWPTCIY-UHFFFAOYSA-N 298.720 3.527 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)cc1 32417499 NAEQGMQDPURAJC-CVEARBPZSA-N 284.403 3.893 30 20 CHED C[C@H]1OCC[C@@H]1SCCC1(C#N)CCCCC1 413000169 NCJKSPZDHCFECB-OLZOCXBDSA-N 253.411 3.761 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC(F)(F)F 369804858 YCWKFAHZWNMBHX-UONOGXRCSA-N 282.309 3.711 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CC[C@@H](C)CC 508564694 AHVKLZBTOVOGFE-HNNXBMFYSA-N 284.403 3.899 30 20 CHED Cc1cccc([C@H](C)C(=O)Oc2ccc(C#N)cc2)c1 129786123 QBBDPZOGDUXODN-ZDUSSCGKSA-N 265.312 3.576 30 20 CHED N#CCCN[C@H](c1ccc(Br)cc1)C1CCC1 411453885 KCDDLKPBJHSBIG-AWEZNQCLSA-N 293.208 3.794 30 20 CHED C=CCOCCCC(=O)N[C@H](CC)c1ccc(C)cc1 79298250 GFJMHMUOLJAION-MRXNPFEDSA-N 275.392 3.545 30 20 CHED C[C@H]1CC[C@H](CNc2cc(C#N)ccc2C(F)(F)F)O1 413376554 MWCXMKXXHDSKGD-GXSJLCMTSA-N 284.281 3.556 30 20 CHED C[C@H](CC(=O)OCC1(C#N)CCC1)c1cccc(F)c1 183864928 IKRBUQDWQHCIJO-GFCCVEGCSA-N 275.323 3.556 30 20 CHED Cc1ccc2cc(C(=O)OCC(C)(C)CC#N)ccc2n1 184791280 DGBFEICMHLYURW-UHFFFAOYSA-N 282.343 3.640 30 20 CHED CN(CCCCc1ccccc1)CCC(C)(C)C#N 131164031 VISAUINGYBGTQZ-UHFFFAOYSA-N 258.409 3.881 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 416103055 OQMDWWHCRLFCOL-RPVQJOFSSA-N 296.414 3.878 30 20 CHED C=CCCCCCN(C)C(=O)NC1CCC(COC)CC1 413771448 OCYUQWDPOZJKIT-UHFFFAOYSA-N 296.455 3.579 30 20 CHED CC(C)(CC/N=C(/O)[C@]1(C)CCC(O)=NC1)C1CC1 329326401 JHFKEGPGZGJMSC-OAHLLOKOSA-N 266.385 3.526 30 20 CHED N#Cc1ccc(F)cc1CN1CCCc2ccccc2C1 229958887 LREBWTZKQPZSSS-UHFFFAOYSA-N 280.346 3.646 30 20 CHED N#Cc1ccc(Oc2cccnc2)cc1Br 228201155 DIXKHQIIFNFXAN-UHFFFAOYSA-N 275.105 3.508 30 20 CHED C=C(C)CSc1nnc(NCCc2cccs2)s1 48396347 MATYIIFBLIAQPW-UHFFFAOYSA-N 297.474 3.922 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(Br)cc1 49800724 ZLHUKJOEGLJYMD-UHFFFAOYSA-N 295.224 3.821 30 20 CHED OC(=Nc1nncn1C1CC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 329123702 RXIPTKKRQBRQRS-KWCYVHTRSA-N 288.395 3.808 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2c(C)noc2C)cc1 192753316 STOBPVZBNTWELC-MDZDMXLPSA-N 285.343 3.976 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(C)n(Cc2ccccc2)c1C 84712738 QUGPCGZDPIMQHT-INIZCTEOSA-N 296.370 3.612 30 20 CHED CC(C)c1cccc(NC(=O)c2ccccc2OCC#N)c1 194089516 BRJNCGAXMNVNGO-UHFFFAOYSA-N 294.354 3.965 30 20 CHED COC[C@H](C)SCc1ccccc1C(C)(C)C#N 134065749 KXFAYVMAQPNSQG-LBPRGKRZSA-N 263.406 3.756 30 20 CHED Cc1c(Br)cccc1N[C@@H]1CC[C@@H](C#N)C1 381356630 DHYAWLNZPLCUOD-GHMZBOCLSA-N 279.181 3.862 30 20 CHED O=C1CC[C@@H](/C(O)=N/C2CCC(F)(F)CC2)n2cccc21 329881808 OZVAJKDPDNOJTJ-LBPRGKRZSA-N 296.317 3.540 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(Cl)s1 130432809 PSMASLYGMVKPLX-SNVBAGLBSA-N 259.802 3.645 30 20 CHED N#Cc1ccccc1OCCN(C#N)c1ccccc1Cl 429789533 CPYORXZUAGQXKD-UHFFFAOYSA-N 297.745 3.578 30 20 CHED CC(C)(C)c1ccc(-c2ccc(C(=O)NCCC#N)o2)cc1 427635531 DTFQWJCCCKDYNF-UHFFFAOYSA-N 296.370 3.888 30 20 CHED Cc1ccc(C[C@H](C)Nc2nc3c(cc2C#N)CCC3)s1 80245225 IXDWORQAFVXRDM-NSHDSACASA-N 297.427 3.855 30 20 CHED C=CCC1(C(=O)N2CCSc3ccncc32)CCCC1 335241253 WBIGKGVKNRIXGP-UHFFFAOYSA-N 288.416 3.657 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](C)c2cccc(O)c21 336089482 YLSKDINDHONFLD-ZDUSSCGKSA-N 296.370 3.534 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](Cc2ccncc2)c2cccs2)C1 424316168 AQYIBVKZBSQYBO-OWCLPIDISA-N 297.427 3.709 30 20 CHED C[C@H]1C[C@@H](CC(=O)NCC2(C#N)CCC2)CC(C)(C)C1 331869155 LOWDYQIVDMLPJV-KBPBESRZSA-N 276.424 3.649 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccc3c(c1)CCO3)C2=O 141630373 RYILJKOSTFOYAB-GDNBJRDFSA-N 292.334 3.589 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)c2nc(C)cs2)CCC1 191294175 CXHIYFDWMASMQD-LBPRGKRZSA-N 278.421 3.765 30 20 CHED C=CCN(C)Cc1cc(Cl)cc(Cl)c1OC 428380965 NEIYAZAECKKZNB-UHFFFAOYSA-N 260.164 3.620 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1csc2ccccc12 193585481 TZPGENOKURJTFD-BQYQJAHWSA-N 282.368 3.839 30 20 CHED COc1cccc(C(=O)/C=C\c2cc(OC)ccc2OC)c1 145490308 XQDTUMPQVJFCKE-CLFYSBASSA-N 298.338 3.609 30 20 CHED C[C@@H](CC#N)N(C)CCCSCc1ccccc1 90552288 POZFTOIOUGYLAN-AWEZNQCLSA-N 262.422 3.544 30 20 CHED CC[C@@H]1CCC[C@H](N/C(O)=N/CC[C@@H]2CCO[C@@H](C)C2)C1 330839520 LVMGWEYEYSVSCL-JJXSEGSLSA-N 296.455 3.664 30 20 CHED CN(C(=O)c1cnc(C(C)(C)C)s1)c1cccc(C#N)c1 143692742 ZVIHPMPRUFJSFZ-UHFFFAOYSA-N 299.399 3.589 30 20 CHED Cc1cc2c(S[C@H]3CC[C@H](C#N)C3)ncnc2s1 334567374 XLOHDTUDFUMUPX-UWVGGRQHSA-N 275.402 3.784 30 20 CHED N#Cc1c(Cl)nsc1N1CCC[C@H]1C1CCCC1 92621195 LTWUOXNCLRPAJC-NSHDSACASA-N 281.812 3.827 30 20 CHED CC[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1 424332947 UALJEGLEUAWDKW-GVDBMIGSSA-N 254.377 3.788 30 20 CHED C=CCC[C@H](C(=O)N1CCC=C(F)C1)c1ccccc1 428014683 PTGNEGCUHYNXNZ-INIZCTEOSA-N 273.351 3.822 30 20 CHED C=CCOc1cccc(CNCCC2(COC)CCC2)c1 339456689 AJUCPNLBASXAKE-UHFFFAOYSA-N 289.419 3.548 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc(Cl)ccc1SCC 91968054 YLEOVSMWNPRXDD-NSHDSACASA-N 296.823 3.874 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2CCCC3(CC3)C2)c1C 330123387 KXGWVXADLQPVQJ-LBPRGKRZSA-N 290.411 3.584 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccc(CC)o1 512052940 NVVYVJXYYIASJH-UHFFFAOYSA-N 280.371 3.902 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C/N=C(/O)c1csc(C(C)C)n1 331228962 GXJGJHMIHAKKLO-YPMHNXCESA-N 294.420 3.552 30 20 CHED C=CCCOCCN[C@H]1CCCc2c1[nH]c1ccccc21 231798601 DFVHPODQJSJJPI-KRWDZBQOSA-N 284.403 3.728 30 20 CHED C[C@@H](CC1CC1)NCC#Cc1ccc(C(F)(F)F)cc1 90180693 LMUVQRJNRCITDB-LBPRGKRZSA-N 281.321 3.835 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@H](CC(C)C)C1 528827356 QVZQYWVZWOZSAB-CQSZACIVSA-N 264.413 3.601 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](CC)c1ccccc1OC 520449725 RZKOAXUZBCUDPW-INIZCTEOSA-N 287.403 3.798 30 20 CHED CC[C@H](C#N)Sc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 249085340 FFZJQEBWRBRKIU-KGYLQXTDSA-N 278.425 3.732 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(F)c1 433102154 ICSPFMJYAIRPAX-CQSZACIVSA-N 282.318 3.537 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ncc(C(C)C)s1 528673898 XDDGDYDZMYPYMG-UHFFFAOYSA-N 265.382 3.535 30 20 CHED C=CCCC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 245382049 GTNVCPMXHTVWLG-VGWMRTNUSA-N 261.409 3.770 30 20 CHED Cc1nc2cc(C(=O)Nc3scc(C)c3C#N)ccc2o1 344917753 DFOSUFBIDPSEMC-UHFFFAOYSA-N 297.339 3.630 30 20 CHED COc1ccc(C#N)cc1CSc1ccc(C#N)cc1F 435147055 TYNOTMCOWIHLSA-UHFFFAOYSA-N 298.342 3.870 30 20 CHED C=CCCC(=O)N[C@@H](CCCCOC)c1ccccc1 348808407 JSUHTSBZDYFLTP-INIZCTEOSA-N 275.392 3.627 30 20 CHED CSc1ccc(CCNCc2ccc(C#N)c(C)c2)cc1 435733235 UORGGDVFOXLCAI-UHFFFAOYSA-N 296.439 3.921 30 20 CHED CCc1cc(O)nc(SCCCCC(C)(C)C#N)n1 436201341 AQGRJKLYZVKVOH-UHFFFAOYSA-N 279.409 3.557 30 20 CHED C[C@H](CCC#N)CNCC(C)(C)N[C@H](C)c1ccccc1 602545393 NMEWPRPGTMQUGM-HZPDHXFCSA-N 287.451 3.645 30 20 CHED N#Cc1ccc(Cl)cc1NC(=O)CSCCC1CC1 527357204 OCOGMSVWCKPHTH-UHFFFAOYSA-N 294.807 3.683 30 20 CHED COc1cc(C)c([C@@H](C)NC[C@H](C)CCC#N)cc1OC 602516018 VDNDBQLCCQLDGH-TZMCWYRMSA-N 290.407 3.603 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cn1 255306855 VEUUJELEGDDVFV-BAQGIRSFSA-N 294.276 3.818 30 20 CHED C=CCC[C@@H](NC[C@@H](C)Oc1cccc(OC)c1)C1CC1 438984337 DXUSKRGBPVDFIW-RDTXWAMCSA-N 289.419 3.797 30 20 CHED CCc1nc(CN(C)[C@H](C)c2ccc(C#N)cc2)cs1 604492785 OKYHNODTMQAFCJ-GFCCVEGCSA-N 285.416 3.770 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 341715799 WQFPVOHRSLFJBG-LRDDRELGSA-N 256.393 3.960 30 20 CHED Cc1ccc(C#N)c(N2CCc3c(Cl)cccc32)n1 342544409 HVUSMTCTVQCLTD-UHFFFAOYSA-N 269.735 3.609 30 20 CHED Cc1cc(Br)ccc1CNC[C@H](C)CCC#N 602550522 KDOYBQDXSZQWDA-LLVKDONJSA-N 295.224 3.787 30 20 CHED COc1ccc(/C=C\C(=O)c2ccco2)cc1OC(F)F 255112866 DNZCDZSQCQIAOO-XQRVVYSFSA-N 294.253 3.786 30 20 CHED Cc1cc2cc(NC(=O)NCC(C)(C)CCC#N)ccc2[nH]1 349377837 XDXIPTZCBZUPDT-UHFFFAOYSA-N 298.390 3.928 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@@H](C)C2)cc1C#N 345281349 HRZRNZXKCCQIOA-CHWSQXEVSA-N 286.375 3.720 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)OC[C@@H]2CCCCO2)n1 340780128 SKHDLBBWFNODQL-OLZOCXBDSA-N 294.395 3.570 30 20 CHED Cn1ncc2c1CC/C(=C/c1cc3ccccc3s1)C2=O 254942682 QCAHMYWUTATXLO-XFXZXTDPSA-N 294.379 3.847 30 20 CHED CC(C)(C#N)C(=O)Nc1nc(/C=C\c2ccccc2)cs1 609759159 ZONHLUGCVYMJGU-HJWRWDBZSA-N 297.383 3.802 30 20 CHED N#C[C@H]1CC[C@H](NCCCCCc2ccc(F)cc2)C1 442859395 XAAIAHHKIIQJML-RDJZCZTQSA-N 274.383 3.820 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H]1CC)c1ccccc1 536192128 OTNGUAXOMAAPJE-GDBMZVCRSA-N 257.377 3.747 30 20 CHED N#CCCCCNc1ccc(C(F)(F)F)c(Cl)n1 264237360 UDKXPLKLNBDTGC-UHFFFAOYSA-N 277.677 3.860 30 20 CHED C[C@@H](CN(C)Cc1ccc(C#N)s1)c1ccccc1 537636364 CYBUDMNGCAVGIF-ZDUSSCGKSA-N 270.401 3.855 30 20 CHED C[C@H]1CN(C(=O)c2ccccc2CC#N)[C@H]1c1ccccc1 601259840 DGTFXVHWYYSKRE-KBXCAEBGSA-N 290.366 3.586 30 20 CHED C=CCCCC[C@H](C)NC[C@@H]1CCCn2cc(C)nc21 449174977 ZKKKUUWJKYKCEY-HOCLYGCPSA-N 275.440 3.793 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CC[C@@H](c3cccc(F)c3)C2)C1 442869736 FFLBNEUMYIPQTR-IRWJRLHMSA-N 272.367 3.744 30 20 CHED CCn1nc(CN(CCC#N)CC(C)(C)C)c2ccccc21 352010798 JSVWFGQPTONLIM-UHFFFAOYSA-N 298.434 3.818 30 20 CHED C=CCCNC(=O)c1oc2ccccc2c1COC(C)C 617612767 NMXHUHTZYJXOLL-UHFFFAOYSA-N 287.359 3.664 30 20 CHED CCCn1ccc2ccc(NC(=O)NCC(C)(C)C#N)cc21 611621321 YKQBINVMRLVUDB-UHFFFAOYSA-N 298.390 3.723 30 20 CHED C[C@@H]1CCCC[C@@H]1N[C@H]1CCc2cc(C#N)ccc21 618803274 SBJJFPPTGZROHJ-DQYPLSBCSA-N 254.377 3.714 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@@H](C)CCC)c1ccccc1 535373807 ZBWJIBHWAJVJLQ-GJZGRUSLSA-N 259.393 3.993 30 20 CHED CCSc1ccc([C@H](C)NC(=O)[C@]2(C#N)C[C@H]2C)cc1 448911562 MVAQKMYDADFORS-WQGACYEGSA-N 288.416 3.526 30 20 CHED C=CCCCCCn1nc(C)c2cc([N+](=O)[O-])ccc21 447309383 NFZPMDZDCZBGOU-UHFFFAOYSA-N 273.336 3.999 30 20 CHED CN(C(=O)C[C@H]1CCc2ccccc21)c1ccc(C#N)cc1 610982916 YHTVNQZKFAQEHM-MRXNPFEDSA-N 290.366 3.641 30 20 CHED CC(C)(C)Oc1cccc(CSc2ccc(C#N)cn2)n1 350185925 YZTXNQFQGUAZNZ-UHFFFAOYSA-N 299.399 3.818 30 20 CHED Cc1cn(Cc2ncc(-c3ccccc3F)o2)cc1C#N 533228226 HQKXSNRHZMTLLX-UHFFFAOYSA-N 281.290 3.511 30 20 CHED CCCc1ccc(C(=O)N[C@@](C)(C#N)CC(C)C)cc1 533876224 OTOOCUPWWNAAAA-QGZVFWFLSA-N 272.392 3.697 30 20 CHED N#Cc1ccc(C(=O)NC2(Cc3ccccc3)CCC2)s1 532126852 VJANYIKPIQBAAP-UHFFFAOYSA-N 296.395 3.515 30 20 CHED Cc1ccsc1CCNc1c(C#N)nnc2ccccc12 539106252 SETPWMSBLKEFHX-UHFFFAOYSA-N 294.383 3.526 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 610010322 LBCNJVXRMHIGPF-CJNGLKHVSA-N 285.391 3.991 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C#N)cs1 267837580 SWUFVUXUFSSRFC-YPMHNXCESA-N 276.405 3.661 30 20 CHED C=CCC1(NC(=O)[C@H]2CCC[C@@H](OC)C2)CCCCC1 456376023 YUUUPEMWTZSIHQ-LSDHHAIUSA-N 279.424 3.587 30 20 CHED C=CCC1(CNC(=O)[C@@H](C)c2nc(C)cs2)CCCC1 615977632 ZFLSHLHOINIBPB-CYBMUJFWSA-N 292.448 3.808 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@H]1CCc2ccccc21 611548995 FLLNTNGOVTXBII-GOSISDBHSA-N 276.383 3.720 30 20 CHED C[C@@H](CC(C)(C)C)NC1CCN(c2ccc(C#N)cc2)CC1 453435571 UONDPIDONUDTOX-HNNXBMFYSA-N 299.462 3.941 30 20 CHED N#CCCCCNC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 362844646 VRAHMOXAYDUEPI-DLBZAZTESA-N 299.418 3.706 30 20 CHED C=CCCS[C@@H](C)C(=O)N1CCCc2ccccc21 610092784 ZZAYKRQWQBTGNL-ZDUSSCGKSA-N 275.417 3.664 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 614529158 SUPZTXGYPOWVCQ-MJGOQNOKSA-N 296.414 3.889 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CCO[C@@H](C)C1)c1ccccc1 271840286 AYDIFDBWXDGEAD-UAGQMJEPSA-N 287.403 3.625 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc2cccnc12 362464845 LRNVWNWBXYPMEX-CQSZACIVSA-N 281.359 3.807 30 20 CHED C=CC1CCN(C(=O)Nc2sc(CCC)nc2C)CC1 362790451 QWMTZRLJMTWNDL-UHFFFAOYSA-N 293.436 3.834 30 20 CHED Cc1nnc(SCCC2=CCCCC2)c(C#N)c1C 450788062 SSDAKLAWFCYKPE-UHFFFAOYSA-N 273.405 3.948 30 20 CHED C=C(C)CCNC(=O)N[C@H](c1ccc(OC)cc1)C(C)C 455312833 PSNLPPPLWZPLEM-INIZCTEOSA-N 290.407 3.658 30 20 CHED CC(=O)c1cc(Cl)ccc1OCC1(C#N)CCC1 450579752 ZLNYHMPSVZLFGX-UHFFFAOYSA-N 263.724 3.615 30 20 CHED Cc1ccc(C(C)(C)NCc2ccc(Cl)cc2C#N)cn1 360334579 DALXEZSEBODXLY-UHFFFAOYSA-N 299.805 3.940 30 20 CHED CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F 274560249 YJYQBQISNVVWAL-WBIUFABUSA-N 264.319 3.698 30 20 CHED C#CC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 273474210 KHPHDLKQXOXBQW-KDOFPFPSSA-N 295.382 3.816 30 20 CHED C=CCC[C@@H](C(=O)NCC1CC=CC1)c1ccccc1 628542474 LMUPTHASXALCHZ-QGZVFWFLSA-N 269.388 3.819 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H](C)[C@@H]2C)c1C#N 544066734 GMKDRWAHZLFQSY-KOLCDFICSA-N 263.772 3.540 30 20 CHED C=CCC1(CN[C@H](c2cccnc2)c2ncc[nH]2)CCCC1 453384985 UODHIQXZQPYCRF-MRXNPFEDSA-N 296.418 3.620 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cccc(C(C)C)c1 623928175 GNKYSCWJOWUAQM-GJZGRUSLSA-N 261.409 3.645 30 20 CHED C=CCCC[C@H](C)N1CCC2(CCOCC2)[C@H]1C 543574827 QYLFOBJWTOXMCV-LSDHHAIUSA-N 251.414 3.622 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2cccc(OCC#N)c2)C1 270040735 OFVWIYKBNYFLTD-ZDUSSCGKSA-N 286.375 3.744 30 20 CHED C=CCCOCC(=O)N1CCC[C@H]1c1ccccc1Cl 620201503 JXROZRPHPLOBOJ-HNNXBMFYSA-N 293.794 3.596 30 20 CHED C[C@H](N[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(C#N)c(F)c1 540711057 UEXUBWXSYAKXOJ-BOFPYLFWSA-N 294.373 3.979 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N[C@@H](C#N)C(C)(C)C)CC(C)(C)C1 464707682 FHPFLQZEASRHEN-RDBSUJKOSA-N 278.440 3.893 30 20 CHED C=C(C)C[C@H](C)C(=O)NC1(Cc2ccccc2)CCC1 466417770 RZVDLNYXVDXMGA-HNNXBMFYSA-N 271.404 3.870 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H]2CCCC(F)(F)C2)c1 282604709 WRZSOFWEVCWFKS-ZDUSSCGKSA-N 292.329 3.615 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c[nH]cc1-c1ccccc1F 467695375 QYLWOVPNUBFRSG-GFCCVEGCSA-N 286.350 3.905 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCC(F)(F)C2)c1 281986025 SOBTVZFWHDGYAI-GFCCVEGCSA-N 292.329 3.998 30 20 CHED C=CCCCC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 468342209 YLPSXYKJEQBWJF-NSHDSACASA-N 279.330 3.767 30 20 CHED C=CCOCCCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 463321500 SBVRYAVQLCKPFS-LSDHHAIUSA-N 281.440 3.690 30 20 CHED C=CCCC(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 374961828 JCQSAMNVTNVMAI-HNNXBMFYSA-N 281.758 3.703 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@@H](F)C1 554343457 WEGMZJRFTVAPRX-HZPDHXFCSA-N 290.382 3.665 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 466797106 SPAXFZZTJHUEKR-HNNXBMFYSA-N 288.435 3.959 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(Cl)c(C)c1 462453720 HHONBJLMEWEGPC-MRXNPFEDSA-N 279.811 3.909 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1cc(Cl)ccc1OC 289386989 LFEMNFXNBRDGSN-SNVBAGLBSA-N 299.823 3.985 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)c1ccc(SC)cc1 282189352 KQNKMWVDYIHDFB-JTQLQIEISA-N 284.812 3.521 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 282185529 GAGDCAISCFQXEY-DMDPSCGWSA-N 298.308 3.928 30 20 CHED CC[C@@H](C)CCC(=O)N[C@H](CCC#N)c1ccccc1 285664291 DLZQMMNHINIROT-GDBMZVCRSA-N 272.392 3.974 30 20 CHED CC[C@@H](N[C@H]1CCCC12CCOCC2)c1ccc(C#N)cc1 282697543 KSIOJKMTEWXTJB-MSOLQXFVSA-N 298.430 3.948 30 20 CHED COc1ccc(SCCCC2(C#N)CCOCC2)cc1 281073309 VSBBGTGAAIDJSX-UHFFFAOYSA-N 291.416 3.888 30 20 CHED C=CCC(C)(C)c1noc(CCCC2CCOCC2)n1 556361149 GGINAICRUIJQFB-UHFFFAOYSA-N 278.396 3.673 30 20 CHED COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@H](C)C#N)cc1 299291982 UMEUNLDSHJLZFD-FZKQIMNGSA-N 298.361 3.620 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1[C@H]1CC[C@H](C#N)C1 292735620 GVORVMLOBFRVJZ-UBDQQSCGSA-N 268.404 3.632 30 20 CHED C=CCC1(c2nc(-c3nc(C)cs3)no2)CCCC1 556421114 UFLFAGRTKFJPNT-UHFFFAOYSA-N 275.377 3.889 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)Cc1ccccc1Cl)C(C)(C)C 807882593 UREWBIRJDXWFDX-IUODEOHRSA-N 291.822 3.683 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 291904264 LMYKSNUNHLRYBE-SNVBAGLBSA-N 284.281 3.576 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 292944906 YAUWGGXLOIRMHP-GOEBONIOSA-N 271.404 3.993 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cn(C)c(C)n1 800810820 VTDZTVXEPKVUDD-ZDUSSCGKSA-N 298.434 3.927 30 20 CHED C#CCC(C)(C)C(=O)OC[C@@H](OC)c1ccc(Cl)cc1 801309157 IYLOJZAZQFSXSA-CQSZACIVSA-N 294.778 3.620 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ncc(-c2ccccc2C)o1 803786756 NGYRZWSNQSEAKR-QGZVFWFLSA-N 298.342 3.633 30 20 CHED CCN(CC(C)(C)C)C(=O)c1ccc(C#N)c(Cl)c1 563926511 XMIQCNWIYYUMTQ-UHFFFAOYSA-N 278.783 3.720 30 20 CHED C[C@@H]1CSc2ccccc2N(Cc2ccc(C#N)o2)C1 569984238 LGDMNIKAKOQBMM-LBPRGKRZSA-N 284.384 3.900 30 20 CHED C=CCn1c(C(C)C)nnc1N1CC2(CC2)c2ccccc21 564378373 KRMSKMMCVXZVJB-UHFFFAOYSA-N 294.402 3.771 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@](C)(C#N)C1CCCCC1 561520861 VVWDTEKHPVKLHQ-WOSRLPQWSA-N 264.413 3.647 30 20 CHED C#Cc1ccc(CN2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)cc1 809549505 JGBUHOLLFCSJEU-HLIPFELVSA-N 296.458 3.505 30 20 CHED COCC1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 295705554 MPRBNQYOXARNGB-VJFUWPCTSA-N 286.419 3.826 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1F)c1ccnc(O)c1 806556720 YDSOZUNZEASYBR-ZPUQHVIOSA-N 287.265 3.518 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)OCC#N 803733622 OQQRWBPQJUMFLH-UYJPIKCFSA-N 263.381 3.686 30 20 CHED Cc1cccc(C2=CCN([C@H](C)CCC#N)CC2)c1 299517615 CPQAMUVRWJDIPY-OAHLLOKOSA-N 254.377 3.776 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N(C)[C@H](C)C#N)cc1 297966223 VMNUMLMSKCAKFQ-UONOGXRCSA-N 272.392 3.674 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(C2CC2)c1 296082168 QPCDIJMSYIDLAB-ZDUSSCGKSA-N 279.387 3.625 30 20 CHED CC#CC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 801157556 FTVBJKVQJQDXNU-AWEZNQCLSA-N 279.339 3.788 30 20 CHED CC(C)CC1CCN(c2nc(Cl)c(C#N)s2)CC1 804553514 VCPLLFYXYBVKSV-UHFFFAOYSA-N 283.828 3.931 30 20 CHED Cc1cc(Cl)cc(C)c1/C=C/C(=O)c1ccnc(O)c1 806556533 VODVOFIEKHXPQZ-ONEGZZNKSA-N 287.746 3.954 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccccc2COC)no1 643936386 LCCZVESZLVFDGF-UHFFFAOYSA-N 272.348 3.737 30 20 CHED C[C@@H](COc1ccc(Cl)c(Cl)c1)NCCCC#N 294910840 AZCJCJJQWKUFBP-JTQLQIEISA-N 287.190 3.654 30 20 CHED N#Cc1cc(COC(=O)[C@H]2CCCC(F)(F)C2)ccc1F 800280428 SFLWUMSSXGVQLS-NSHDSACASA-N 297.276 3.566 30 20 CHED CC(C)N(CCC#N)C(=O)Cc1cc2ccccc2s1 564526655 BNRHEWRZXIRFIW-UHFFFAOYSA-N 286.400 3.594 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)c(OC(C)C)c1 488435442 SAFQNMUGFDFPJF-UHFFFAOYSA-N 273.376 3.914 30 20 CHED Fc1cccc(F)c1NN=Cc1ccc2[nH]ccc2c1 811644260 WBWGKNGFVHABHH-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C=CCC(C)(C)CNC(=O)c1c[nH]c2cccc(F)c12 817457843 ZDYBGIBIDWRHKB-UHFFFAOYSA-N 274.339 3.639 30 20 CHED C#C[C@H](N[C@H]1CC[C@H]1C1CC1)c1ccc(Cl)cc1 811517607 XLUFSVMEODUHTB-JYJNAYRXSA-N 259.780 3.793 30 20 CHED C#C[C@H](NC(=O)C1(c2ccccc2C)CCCC1)C(C)C 813559243 SGZZHTOGPJZWFG-KRWDZBQOSA-N 283.415 3.581 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccc(C#N)s2)c1 487293040 BWBZKMAUXRVUCS-UHFFFAOYSA-N 298.367 3.827 30 20 CHED C=CCC(F)(F)C(=O)Nc1cnn(CC(C)C)c1C1CC1 816685818 DLIUDSKGXLSBJW-UHFFFAOYSA-N 297.349 3.566 30 20 CHED c1ccc([C@H]2CCCC2=NNC[C@@H]2CCSC2)cc1 811661187 GFLNMFLVJXGLMF-DZGCQCFKSA-N 274.433 3.653 30 20 CHED C=CCC[C@H](C(=O)N1C[C@H]2[C@@H](C1)C2(C)C)c1ccccc1 488985050 QUNCQYVDUNCJJJ-YESZJQIVSA-N 283.415 3.851 30 20 CHED CCC#C[C@@H](C)N(Cc1ccc(Cl)cc1)OC 812910541 ILPCXSGUGBZPDM-GFCCVEGCSA-N 251.757 3.505 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)C1(C#N)CCCCC1 482564528 HOWOARBEYMWSKK-UONOGXRCSA-N 276.424 3.791 30 20 CHED CC#CCN(C)C(=O)/C=C\c1cccc(OC2CCCC2)c1 819245830 RLMVVIGVGVFQQH-SEYXRHQNSA-N 297.398 3.503 30 20 CHED C=CCC(F)(F)C(=O)O[C@H]1CCc2ccc(F)cc21 815972075 XEKLARWMGOIKTP-LBPRGKRZSA-N 270.250 3.568 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2ccc(C(=O)O)cc2)CS1 814680900 NJKJRZJKGYBENT-CYBMUJFWSA-N 292.404 3.704 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(C)sc1C 815312836 KOVZMPHQRJPGJI-UHFFFAOYSA-N 260.305 3.620 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 816704052 DVLOTTDOEKUCKV-RYUDHWBXSA-N 273.367 3.871 30 20 CHED CCC(=NN(C)CCOC)C12CC3CC(CC(C3)C1)C2 811648684 XARIZGCKPZQLQC-UHFFFAOYSA-N 278.440 3.547 30 20 CHED Fc1ccc(NN=C2COc3c(Cl)cccc32)cc1 814693585 YYKZZCGGQYUPEY-UHFFFAOYSA-N 276.698 3.688 30 20 CHED CCO[C@@H]1CCCC[C@H]1Nc1ccc2cc(C#N)ccc2n1 575321549 VVKOQADOQCMHGR-IAGOWNOFSA-N 295.386 3.866 30 20 CHED Cc1cc(C)c(C=NN[C@@H](C)c2ccncc2)c(C)c1 819815218 NXLFEZGEIFPZKJ-HNNXBMFYSA-N 267.376 3.692 30 20 CHED N#Cc1cc(C(=O)Nc2cccc3c2CCCC3)ccc1F 574105717 ZJZKWRJSJFIYHL-UHFFFAOYSA-N 294.329 3.828 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@@H](C(=O)O)C[C@H]1C 814858845 IBXZAXAHUNHBPA-HZSPNIEDSA-N 282.428 3.812 30 20 CHED CCCCCC(C)=NN(C)C(=S)NCc1ccccc1 818226938 BCIUOLLPCIBTAH-UHFFFAOYSA-N 291.464 3.949 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1cc(N)ccc1F 814916956 GDNKZWNVHDYZKS-HNNXBMFYSA-N 277.387 3.690 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(SC)cc1 819037889 ZONJPVAJCLEZRZ-UHFFFAOYSA-N 250.363 3.916 30 20 CHED C[C@@H]1CN(Cc2ccccc2)CCC1=NOC/C=C\Cl 811668891 VETBARARMWOCEZ-DAZGDNQKSA-N 292.810 3.654 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2C[C@H]2C2CCC2)c1 575743276 GQSHTPJFRLJFNW-JKSUJKDBSA-N 286.375 3.562 30 20 CHED CC[C@H](C=NNc1ncccc1C)c1ccccc1 814911858 VFBAMQQXWURHKZ-CQSZACIVSA-N 253.349 3.982 30 20 CHED CC(C)c1cccc(CNC(=O)[C@@]2(C#N)CC23CCCC3)c1 579918520 LHZKYMRKQZXZHM-IBGZPJMESA-N 296.414 3.900 30 20 CHED CCC[C@@H](C#N)NC(=O)C(C)(C)Cc1ccc(Cl)cc1 576564283 SXLLUIUODMOGPQ-AWEZNQCLSA-N 292.810 3.717 30 20 CHED C=C[C@H]1CCCCN1C(=O)C1CC(c2cccc(F)c2)C1 570143420 ZNGPOHGWDFUJFJ-DQPZFDDXSA-N 287.378 3.886 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)OC2(CCC2)C1)c1ccccc1 571048888 MXNPEOPEVDJXIP-JKSUJKDBSA-N 299.414 3.516 30 20 CHED C#CCCCOC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 727040703 FZSXZAKGNUPFRO-HNNXBMFYSA-N 288.387 3.842 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H]2CCCc3occc32)C1 660316268 XPSCEIXYGRBYGC-ZFWWWQNUSA-N 288.391 3.655 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1cn(C)c2ccccc12 726741078 SPIHBDFWONGKKG-HJWRWDBZSA-N 280.327 3.679 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 589350527 KWSMCIPZMLNCQY-MNOVXSKESA-N 277.343 3.644 30 20 CHED Cc1nc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1C#N 495550567 IAVHJCMLIDUWCT-UHFFFAOYSA-N 293.370 3.812 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(SC)ccc1Cl 667467581 BPRKRYOGEZRTAR-MRVPVSSYSA-N 270.785 3.758 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(O)Cc1ccc(F)cc1 901372320 BYNNAHSEAPHULC-ZFWWWQNUSA-N 279.355 3.760 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCc3c(Cl)cccc32)C1 584464129 XCAPWVCJQGQSAB-RWSFTLGLSA-N 260.768 3.609 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sc(C2CCCCC2)nc1C 491745338 OTGYWUBXUNDKBO-NSHDSACASA-N 290.432 3.593 30 20 CHED N#Cc1ccnc(CSCc2csc(C3CC3)n2)c1 901777448 ZNLZRNMSQIXTLE-UHFFFAOYSA-N 287.413 3.721 30 20 CHED Cc1cc(NN=C(CC(F)(F)F)c2ccccc2)ncn1 731935427 YIJPQYWDJWHIDT-UHFFFAOYSA-N 294.280 3.554 30 20 CHED C=CCCC(=O)N(C)[C@@H](CC)c1ccccc1OC 580486670 ODZJMGFCFUTEFJ-AWEZNQCLSA-N 261.365 3.571 30 20 CHED Cn1cncc1/C=C1\C(=O)c2ccccc2SC1(C)C 901543276 FHRSAKUALYDCBB-MDWZMJQESA-N 284.384 3.571 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C\SCc1ccco1 493754848 MFGAOBOJUTWOCY-BIRHUZIMSA-N 277.389 3.594 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(O)c1)CS2 588554917 FZIDHGUFKGFXBL-KPKJPENVSA-N 298.363 3.773 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCC(C)(C)CC=C)C1 661232389 FQHDCGZUSIKVLV-CQSZACIVSA-N 264.413 3.586 30 20 CHED N#CCCCCCc1nc([C@@H]2CCc3ccccc3C2)no1 589131563 ATOABDIPXZVOQK-MRXNPFEDSA-N 295.386 3.969 30 20 CHED C#CCOc1ccc(NC(=O)c2ccccc2SC)cc1 730979766 DGHHIJPDBMIYPC-UHFFFAOYSA-N 297.379 3.673 30 20 CHED C#C[C@H](NCc1nc(C)cs1)c1ccc(Cl)cc1F 491622293 HZSHJBSCHXMWLK-ZDUSSCGKSA-N 294.782 3.708 30 20 CHED O=C(/C=C\c1cc(Cl)cs1)c1cc(O)cc(O)c1 588601140 KGHWILTUERQKDQ-UPHRSURJSA-N 280.732 3.709 30 20 CHED C=C(Br)CN1CCC[C@@H](Cc2ccccc2)C1 730062733 QQZWPCNSLMRDKT-HNNXBMFYSA-N 294.236 3.850 30 20 CHED C[C@@H](CC#N)OC(=O)C1=C(c2ccccc2)CCCC1 835158530 HAXWLARYAIOAGP-ZDUSSCGKSA-N 269.344 3.860 30 20 CHED CSc1ccccc1CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839450275 RPPYSBJJBCRWLK-TZMCWYRMSA-N 289.400 3.577 30 20 CHED COCC#CCN(C1CC1)[C@@H](C)c1ccc(Cl)cc1 677819174 TWANWELMMOIBBQ-ZDUSSCGKSA-N 277.795 3.515 30 20 CHED CC[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)C(C)(C)C 582035120 KZUORRNARXMXBQ-CYBMUJFWSA-N 261.325 3.703 30 20 CHED CCn1cncc1/C=C1/C[C@@H](C)c2ccccc2C1=O 901486663 PBFVDUQETNJYAW-FNWMBBJUSA-N 266.344 3.677 30 20 CHED N#CCOc1ccc(COC(=O)/C=C\C2CCCCC2)cc1 735562759 NIAKVXREFITIGW-FLIBITNWSA-N 299.370 3.769 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H](C)C1 670224894 LSSBMUMGUVCCQA-AWEZNQCLSA-N 288.439 3.748 30 20 CHED CC(=NNc1cnnc2ccccc12)c1cc(F)ccc1F 733748405 VNJFMFDEVMGDRZ-UHFFFAOYSA-N 298.296 3.744 30 20 CHED C=C[C@@H](C)N[C@@H](COC)c1cccc(C(F)(F)F)c1 675933408 DLTNWLYYBDHLNT-MFKMUULPSA-N 273.298 3.557 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1C(C)C 581719042 PKZGRYWFIVYKJJ-AWEZNQCLSA-N 290.455 3.678 30 20 CHED C[C@@H](OC(=O)CC1CC(F)(F)C1)c1cccc(C#N)c1 835130160 FQOPRHOTIOFENC-SNVBAGLBSA-N 279.286 3.598 30 20 CHED C=CCNC(=S)Nc1ccc(-c2ccccc2)cc1F 914704064 MPJIRMLLSMFZKF-UHFFFAOYSA-N 286.375 3.965 30 20 CHED C=C(C)CNC(=S)Nc1cccc(OC2CCCC2)c1 912969221 OEXNHCISWLEYOG-UHFFFAOYSA-N 290.432 3.871 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 592626416 YQIUGGVRLPNLQH-USXIJHARSA-N 296.414 3.734 30 20 CHED C=C(C)CCOC(=O)COc1ccc2ccccc2c1 744303170 PKGMJDIHRVSQNA-UHFFFAOYSA-N 270.328 3.728 30 20 CHED C[C@H](NCc1nccc2ccccc12)c1ccc(C#N)cc1 743475524 RXLLCNUJUJEWEE-AWEZNQCLSA-N 287.366 3.957 30 20 CHED Cc1cc(C)c2c(c1)CC[C@@H]2NCC1(C#N)CCC1 594607279 SGDRADRUOOTTAY-HNNXBMFYSA-N 254.377 3.574 30 20 CHED CCCCCC[C@H](C)C(=O)N(CCC#N)C(C)C 742060917 VRXRKFNWFSVEIB-AWEZNQCLSA-N 252.402 3.744 30 20 CHED C#CCCCNC(=O)N[C@H](C)c1csc2ccccc12 743691227 YHWNPXYJEFXJCS-GFCCVEGCSA-N 286.400 3.675 30 20 CHED Cc1ccc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)nn1 841620467 XWIUGIOOHMQYCD-AWEZNQCLSA-N 282.391 3.593 30 20 CHED CCc1oc2ccccc2c1C=NOCc1ccon1 740873042 YJBPPYPSCMPJEU-UHFFFAOYSA-N 270.288 3.534 30 20 CHED N#CC[C@H]1CCCN(C/C=C/c2ccc(F)c(F)c2)C1 597176170 GDAWYGNAONBLMS-XYHHVPKHSA-N 276.330 3.604 30 20 CHED CC(=NOCc1cccnc1)c1ccc2ccccc2c1O 746587959 UPQOWAMNENTPHX-UHFFFAOYSA-N 292.338 3.881 30 20 CHED CC(C)(C#N)C[C@@H](O)COc1c(Cl)cccc1Cl 598701117 JRMOISFCYDSHHG-SECBINFHSA-N 288.174 3.673 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(CO)cc1 842895369 NEKZDCFYGNBXLJ-OAHLLOKOSA-N 261.409 3.794 30 20 CHED CCOc1ccc(/C=N/Cc2ccc(F)cc2F)c(O)c1 745625446 WFBQKORVSHWOML-VXLYETTFSA-N 291.297 3.688 30 20 CHED CC(CCCCC#N)=NNc1ncccc1C(F)(F)F 841617287 GYEIVUDIQZQPGZ-UHFFFAOYSA-N 284.285 3.972 30 20 CHED COc1ccc(-c2nc(C)cs2)cc1C1(C#N)CC1 594629479 PSIRIXZCKNYAIR-UHFFFAOYSA-N 270.357 3.682 30 20 CHED Cc1oc(C)c(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1C 749062547 PKFFHGPUBIHMLH-GFCCVEGCSA-N 283.327 3.995 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 594043763 ONCWLBHNTJXVOK-VCBZYWHSSA-N 298.430 3.822 30 20 CHED Cc1ccccc1-c1cnc(CN2CCC[C@H](CC#N)C2)o1 595615378 QJRBGKOZOGSJFR-OAHLLOKOSA-N 295.386 3.776 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCS[C@H](c2ccccc2)C1 682380803 MFNIVJMFTKCTEH-DOTOQJQBSA-N 289.444 3.905 30 20 CHED N#CC[C@H]1CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 597903578 KJZOKTKQLJAUQT-KLHKWILBSA-N 296.414 3.723 30 20 CHED CON=C(C)c1ccc(Oc2ccccc2)c(F)c1 917542979 AZUMQSAUQDBGIX-UHFFFAOYSA-N 259.280 3.988 30 20 CHED CCc1noc(C)c1CNc1nc(C(C)(C)C)ccc1C#N 590142183 KTEPZOCWEKJMQW-UHFFFAOYSA-N 298.390 3.722 30 20 CHED C#CCN(C(=O)[C@@H](C)c1cccc(F)c1)C1CCCCC1 741913610 ZTUZJVWKYMXMTE-AWEZNQCLSA-N 287.378 3.724 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2F)C12CCC2 741162741 CYDGWYUSPWCRAZ-CQSZACIVSA-N 262.328 3.573 30 20 CHED CCN(CCO)N=C(C)c1ccccc1SC(C)(C)C 842536987 IESWIXPAQOIVBO-UHFFFAOYSA-N 294.464 3.615 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(C)c(C(F)(F)F)c1 844495686 CDVZDCMSVWFDEY-VIFPVBQESA-N 288.269 3.641 30 20 CHED CCOc1cccc(/C=C2\Oc3ccccc3C2=O)c1 742435854 DLLFUDDOJUTLPZ-WJDWOHSUSA-N 266.296 3.702 30 20 CHED C=C1CCC(C(=O)N(Cc2ccccn2)CC(C)C)CC1 928741803 HOAHJEIGDVRSRI-UHFFFAOYSA-N 286.419 3.813 30 20 CHED Cc1ccsc1COC(=O)[C@@H](C)Cc1ccc(C#N)cc1 846949514 FMIGTOTVZSFHSC-ZDUSSCGKSA-N 299.395 3.850 30 20 CHED C#CC[C@H](NC(=O)N(C)CC1CCCCC1)c1ccccc1 757058307 QFWIKTZDRMMKFB-SFHVURJKSA-N 298.430 3.973 30 20 CHED COCC(=NN=C1c2ccccc2-c2ccccc21)C1CC1 754258737 NIAIZTQSNOKFIO-UHFFFAOYSA-N 290.366 3.917 30 20 CHED CCc1nc(C)c(C(C)=NNc2ccc(OC)cc2)s1 750920852 DALSEALRWPEOOR-UHFFFAOYSA-N 289.404 3.859 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1nc(C)c(C)s1 683549242 HSOPEXZTRPZAEI-UHFFFAOYSA-N 292.448 3.968 30 20 CHED COCC(=NNc1ccc(Br)c(C)c1)C1CC1 754257916 FKMZYWUVTMLKMW-UHFFFAOYSA-N 297.196 3.582 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C1CCCC1 920105785 MAKCALBAKYCYMR-AWEZNQCLSA-N 294.354 3.558 30 20 CHED C#C[C@](C)(CC)NCCC(=O)Nc1cccc2ccccc12 852102519 YSMSSQZQIVSNOW-LJQANCHMSA-N 294.398 3.560 30 20 CHED CC(C)c1ncc(C=NNc2nc3ccccc3[nH]2)s1 758359446 AKASQPXYKNVKKZ-UHFFFAOYSA-N 285.376 3.589 30 20 CHED Cc1ccc(-c2nc(CN(C)C[C@@H](C)C#N)cs2)cc1 49001168 MYQVZRVOVWVWJY-ZDUSSCGKSA-N 285.416 3.710 30 20 CHED C#CCC(C)(C)C(=O)OCc1nc2cc(C)ccc2s1 859638658 PBCPTWOHHPNRKB-UHFFFAOYSA-N 287.384 3.697 30 20 CHED CCc1ccc(C(=O)/C=C/c2nc(Cl)cs2)o1 759086144 ZYOUCTCKBZCWEI-GQCTYLIASA-N 267.737 3.848 30 20 CHED C#CC[C@H](NC(=O)N1CCCC[C@H]1C(C)C)c1ccccc1 757777054 DSQIMQRKGBKBGH-ROUUACIJSA-N 298.430 3.971 30 20 CHED C#CCN[C@@H](c1cccc(OC)c1)c1ccccc1Cl 754308085 LHQYJRRITYKREE-KRWDZBQOSA-N 285.774 3.661 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cc(Cl)ccc1F 753690272 DYDZLVBQLAJXIZ-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C#CCCCC(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 759340704 AXALQJCTIFPYIJ-AVGNSLFASA-N 288.416 3.789 30 20 CHED Clc1ccc2nc(NN=CC3CCOCC3)sc2c1 853438936 UKGKNAGRWGQWEU-UHFFFAOYSA-N 295.795 3.774 30 20 CHED Cc1cc(C)cc(CC(=O)O[C@H](C)CC(C)(C)C#N)c1 853133541 FPQOGWMQYBYEND-CQSZACIVSA-N 273.376 3.718 30 20 CHED CC(C)(C#N)CCN1CCC(c2ccc(C#N)cc2)CC1 933613367 ZNZGJEJJIUADCI-UHFFFAOYSA-N 281.403 3.678 30 20 CHED CCOc1ccccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851212267 HZJWXPFBSYTULY-LBPRGKRZSA-N 275.348 3.570 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1cc(OC)ccc1O 757467643 HLQPCZKLFGEYOI-NTMALXAHSA-N 298.338 3.696 30 20 CHED Cc1cc(N2CCC[C@H](CC#N)C2)c(Cl)cc1[N+](=O)[O-] 853761280 NLGZTDIHGCGGHR-LLVKDONJSA-N 293.754 3.687 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1ccccc1O 755076029 QUUUUEHMFZYMEQ-UHFFFAOYSA-N 292.423 3.894 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(Cl)o1 768520268 BRNZZZSLQMPONL-UHFFFAOYSA-N 269.728 3.810 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)NC1(C#N)CCCCC1 931296590 KQNGANLLGXPHRK-UHFFFAOYSA-N 288.391 3.842 30 20 CHED C=CC[C@H](CC)NC(=O)c1c[nH]cc1Cc1ccccc1 935798696 HDPUDMFGKFKQNL-INIZCTEOSA-N 282.387 3.690 30 20 CHED Cc1cc(OC(=O)c2ccc3ncccc3c2)ccc1C#N 765112743 HJKJQQGEANIPPE-UHFFFAOYSA-N 288.306 3.634 30 20 CHED C=CCCN(C)C(=O)c1ccc(SC(F)(F)F)o1 867684639 SBZXNJCSCRAXQN-UHFFFAOYSA-N 279.283 3.540 30 20 CHED CCCCCCCNC(=O)C[C@@H](C)c1ccncc1 862355496 PPYQQOPKRFEYEE-CQSZACIVSA-N 262.397 3.662 30 20 CHED Cc1cccc(F)c1NN=Cc1cccc(F)c1F 769839530 DMSBOQKDLAZIFN-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C[C@@H]1CCCC[C@@H]1Nc1c(F)cc(C#N)cc1F 60196971 MYPVPCNTFHFSJE-RNCFNFMXSA-N 250.292 3.827 30 20 CHED CCCCSCCC(=O)Oc1ccc(C#N)c(C)c1 765112795 IWGRXVAGNFSVGR-UHFFFAOYSA-N 277.389 3.696 30 20 CHED CCCCCCCCC(=O)NCc1ccns1 862414839 NKTJDJXGBZHYHJ-UHFFFAOYSA-N 254.399 3.510 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](F)c1ccccc1 769377773 QELVNGUVKPDATE-OAHLLOKOSA-N 263.356 3.902 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)CC1(O)CCC1 760094732 HWBQSWHGJOEGNM-OAHLLOKOSA-N 298.471 3.539 30 20 CHED CCC(CCc1ccccc1)=NNc1ncc(Cl)cn1 863125032 KVUDURSYMUGVPV-UHFFFAOYSA-N 288.782 3.941 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2CCCc3sccc32)c1 767339610 VSIOZESDZDUULX-AYCSXLNKSA-N 287.384 3.959 30 20 CHED C#CC[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 766091594 YSFCGFHCCHGGRB-MRXNPFEDSA-N 291.310 3.643 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cnc(Cl)c(C)c1)C2 760262264 BYCCUBCAAQXVEP-AWNIVKPZSA-N 299.757 3.874 30 20 CHED CCCCNN=Cc1ccc(F)c(Cl)c1Cl 761781092 ASEMFUYPUPSUBO-UHFFFAOYSA-N 263.143 3.856 30 20 CHED CCCCCCCNc1cccc(CC(=O)OC)c1 763254255 HPUCGVFDSNLZIP-UHFFFAOYSA-N 263.381 3.784 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2ccc(CC)cc2)c1 766391696 BVCFMQUNWRSSOR-UHFFFAOYSA-N 278.355 3.899 30 20 CHED C=CCN(CC=C)C(=O)C1(Sc2ccccc2)CC1 1116867912 LXUYNFXUBSLQHR-UHFFFAOYSA-N 273.401 3.512 30 20 CHED Cc1c(C(=O)/C=C\c2ccccc2C2CC2)cnn1C 778518041 CHVSUNZXXSPBJV-KTKRTIGZSA-N 266.344 3.502 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 1116266586 GKKOHTQFMIMMSW-CEXWTWQISA-N 295.426 3.903 30 20 CHED C#C[C@H](CC)OC(=O)c1sc(-c2ccccc2C)nc1C 774482941 MTLIZTYAZRPIKF-CYBMUJFWSA-N 299.395 3.996 30 20 CHED C#Cc1cccc(NCCCc2ccccc2OC)c1 779737821 QFFHNURTOIIOIJ-UHFFFAOYSA-N 265.356 3.721 30 20 CHED C#CCCCCCC(=O)Nc1sc(C)c(C)c1C#N 779718255 JKDLCSAQZPKGCL-UHFFFAOYSA-N 274.389 3.759 30 20 CHED C(=NNc1ccncn1)C1CCC(c2ccccc2)CC1 1117830224 AUCSHOXJEKIZNX-UHFFFAOYSA-N 280.375 3.848 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2cccc(F)c2C#N)cc1 777742338 KROCHUVMZBQFLX-LBPRGKRZSA-N 283.302 3.924 30 20 CHED COc1ccc(C=NOCCC(F)(F)F)c(Cl)c1 777460908 ZQRIOQGHGWDBMG-UHFFFAOYSA-N 281.661 3.652 30 20 CHED CC(C)(C#N)CNCc1cccc(OC(C)(C)C)c1 877322708 BXECXHLERYSGHC-UHFFFAOYSA-N 260.381 3.503 30 20 CHED COc1cc(O)ccc1C=NNc1c(F)cccc1Cl 1116653717 WVHCRHXPZNDVHX-UHFFFAOYSA-N 294.713 3.639 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2cccc(F)n2)CCCC1(C)C 770741475 VXNXHIUWNDNOLA-LBPRGKRZSA-N 291.370 3.819 30 20 CHED C#CC[C@H](NCc1nc2ccccc2o1)c1ccccc1 775397675 ABXBEMLPTLGCGR-HNNXBMFYSA-N 276.339 3.682 30 20 CHED CCC(=NOCc1cccnc1)c1ccccc1F 778545577 TXWSPKWJYRKJIM-UHFFFAOYSA-N 258.296 3.552 30 20 CHED CC(=O)[C@@](C#N)(CCSCC(C)C)c1ccccc1 871631364 DOMYIBVVURXJDV-INIZCTEOSA-N 275.417 3.816 30 20 CHED Cc1cccc(NN=Cc2ccc(-n3cccn3)cc2)c1 873839869 NKTBHFXLUYNTBZ-UHFFFAOYSA-N 276.343 3.627 30 20 CHED C=CCCCCNS(=O)(=O)/C=C/c1cccc(Cl)c1 770277241 SYIDIBQMNAZZAB-PKNBQFBNSA-N 299.823 3.586 30 20 CHED CCCCC[C@H](CC)C(=O)Nc1cc(C)nn1CCC#N 775668935 NHAFXJQFYDXEJA-AWEZNQCLSA-N 290.411 3.650 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CCC[C@H](C)[C@H]1C 1127682214 ZCCSARABJWZOQZ-NORZTCDRSA-N 271.360 3.848 30 20 CHED N#Cc1ccc(NC(=O)N2CCCC3(CCCCC3)C2)nc1 889225638 ZMWKNBTYOTWDEP-UHFFFAOYSA-N 298.390 3.531 30 20 CHED C#CCN(C(=O)CCCCCc1ccc(F)cc1)C1CC1 777787975 RMBYHFIJZOSJJP-UHFFFAOYSA-N 287.378 3.553 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)CC1CCCCC1 1128607484 RRTIFMNPEPNYDG-AWEZNQCLSA-N 284.403 3.955 30 20 CHED CC[C@H](Sc1cc(C#N)nc(C)n1)c1ccccc1 882085529 WYDURRHZZAKTGE-AWEZNQCLSA-N 269.373 3.900 30 20 CHED N#Cc1cnc2c(F)ccc(Cl)c2c1N1C[C@H]2C=C[C@H]1C2 882948560 AQQRDONTVKKIQJ-ONGXEEELSA-N 299.736 3.664 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1nc(Cl)c(C#N)s1 888425868 CXTHVYTYBNJPND-UHFFFAOYSA-N 298.799 3.534 30 20 CHED Cc1cc(C)cc(-c2ccc(C=NN[C@@H]3CCOC3)cc2)c1 788446535 MQZQHYQQKHYFFN-LJQANCHMSA-N 294.398 3.683 30 20 CHED C[C@H]1CC[C@H](C(=O)OCc2ccc(Cl)cc2C#N)C1 780038438 KDFASPHHIACAPM-QWRGUYRKSA-N 277.751 3.691 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCOC2(CCC2)C1 889113235 MZQRXLSNMBTLGX-OAHLLOKOSA-N 279.424 3.541 30 20 CHED C=C(C)CCC(=O)O[C@H](C)c1ccc(Cl)cn1 1121193902 MUTWWGPNNZAHMZ-SNVBAGLBSA-N 253.729 3.696 30 20 CHED N#C[C@@H](C(=O)c1cccc(C(F)F)c1)c1cccc(F)n1 1122714679 NPRSJDWBESRTLR-LLVKDONJSA-N 290.244 3.648 30 20 CHED C/C=C(/CC)C(=O)OCc1ccc(C#N)cc1OC(F)F 789225636 CVROOYGNXFKUKL-JYOAFUTRSA-N 295.285 3.559 30 20 CHED C=CCC[C@H](NC(=O)N(C)CCCF)c1ccccc1 884230432 RNMOCEKCCTZXLQ-HNNXBMFYSA-N 278.371 3.695 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](C(=O)OC)[C@@H]1C 787512338 JQEWZUBDEOWYBX-GJZGRUSLSA-N 297.439 3.537 30 20 CHED Cc1ccc(C2(C(=O)Nc3ccc(C#N)cc3)CCC2)cc1 1124406429 PSAWJUOWRPMMMP-UHFFFAOYSA-N 290.366 3.927 30 20 CHED C=C1CC(c2noc(-c3csc(C4CC4)n3)n2)C1 896882498 UAWRVSNJFFBJJC-UHFFFAOYSA-N 259.334 3.504 30 20 CHED Cc1ccc(CCCOC(=O)c2ccc(C#N)s2)cc1 785354425 JWWKMJIDRMVHAM-UHFFFAOYSA-N 285.368 3.718 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCC[C@@H](C)CC2)c1 785836614 ZGDQHXDFFCAVJL-HIFRSBDPSA-N 270.376 3.758 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)o2)C1 896507191 ZIGQRQRLOCAIPP-AWEZNQCLSA-N 282.343 3.807 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(O)cc2)c(Cl)c1 788360348 INWYKGFDUGQJRW-YWEYNIOJSA-N 283.714 3.813 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc2cccc(Cl)c2o1 787077487 GLQHIICTPDMCPN-JTQLQIEISA-N 277.707 3.935 30 20 CHED Fc1cc(NN=C2CCSc3ccccc32)ccn1 781128487 XEMRUOUDMFFKPT-UHFFFAOYSA-N 273.336 3.533 30 20 CHED C=C1CCC(C(=O)Nc2ccc3oc(CO)cc3c2)CC1 897845106 OOMAGDJFQDYVDM-UHFFFAOYSA-N 285.343 3.610 30 20 CHED Fc1ccc2c(c1)CCCC2=NNc1ccnc(F)c1 781134149 TUMNXHLDXDJKCK-UHFFFAOYSA-N 273.286 3.512 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cc(C)on2)c1 788642018 GQYZPQJBAXYRBS-UKRRQHHQSA-N 299.374 3.515 30 20 CHED Cc1cscc1CNCc1ccc(O[C@@H](C)C#N)cc1 785520873 CXORDGFEKXPSKC-ZDUSSCGKSA-N 286.400 3.637 30 20 CHED CC1(C)CCC(C)(CNC(=O)C2(C#N)CCCC2)CC1 1585140981 YDGWVZFBIUGWBR-UHFFFAOYSA-N 276.424 3.793 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2cc(C)nc(C)n2)C1 783826929 IOEJZNPGJQVELB-KBPBESRZSA-N 260.385 3.708 30 20 CHED COC[C@H](Sc1nc(C)ccc1C#N)c1ccccc1 897004348 YZMITVMYFKVLNF-HNNXBMFYSA-N 284.384 3.742 30 20 CHED C=CCCCCCOC(=O)c1nc(C)c(C)s1 785020280 WCCUUFHUVUTSGP-UHFFFAOYSA-N 253.367 3.663 30 20 CHED CC1CCC(CN(CCC#N)Cc2ccccn2)CC1 93100750 RKTXXCLPDSGHNG-UHFFFAOYSA-N 271.408 3.624 30 20 CHED C[C@@H](SCC1(C#N)CC1)[C@@H](C)SCC1(C#N)CC1 790284250 WGJFLGUJXAKHRJ-VXGBXAGGSA-N 280.462 3.837 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cnn(C2CCC2)c1 899353934 ABSZPNJKVJRMQF-YVMONPNESA-N 284.334 3.952 30 20 CHED COc1cccc(C=NNc2ccccc2Cl)c1F 799865468 ZWRQCNDEFKEUTM-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C(C)C)C(C)(C)O 793557489 NXIYVFKSWCBWQU-CABCVRRESA-N 255.446 3.897 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)COc2cc(F)ccc21 794728862 WLCMRLGSZMUOSD-YHYXMXQVSA-N 290.240 3.763 30 20 CHED C=CCC(C)(C)C(=O)Nc1nccc2c([N+](=O)[O-])cccc12 892652932 ILOHMJHFWDSEOC-UHFFFAOYSA-N 299.330 3.684 30 20 CHED CCCCC=NNc1ncnc(Cl)c1C(C)C 797405248 ORXQHMLJNYANOB-UHFFFAOYSA-N 254.765 3.841 30 20 CHED CCCCCCCC(=O)N(C)Cc1ccn(CC)c1 790999136 NFYCJXAYYSJMSN-UHFFFAOYSA-N 264.413 3.827 30 20 CHED N#Cc1ccc(CNc2cc(F)c(F)c(F)c2)cc1 61095794 KKDRNEVDSIHGOR-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CCC[C@@H](C)c1cc(NC(=O)c2ccc(C)c(C#N)c2)n[nH]1 799837629 WWOUZFDUWTZNHX-GFCCVEGCSA-N 296.374 3.746 30 20 CHED CC[C@@H](C#N)OC(=O)c1csc2cc(C)ccc12 796358702 BSLYJSIUBGCVGX-JTQLQIEISA-N 259.330 3.669 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2cc(OC)ccc2nc1C 798554813 VGKIESYZFDEJEV-AWEZNQCLSA-N 298.386 3.636 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)COC1(C)CCC1 791865967 UZLURCSZIMVMLV-UHFFFAOYSA-N 287.403 3.551 30 20 CHED CCN(CCC#N)C(=O)C[C@H](C)CCC=C(C)C 567943514 NUMGTULIUIAQJQ-CQSZACIVSA-N 250.386 3.521 30 20 CHED COCC[C@H]1CCCC1=NNc1cc(F)cc(F)c1 799875849 FOYDTKLGJLKKCY-SNVBAGLBSA-N 268.307 3.569 30 20 CHED Clc1cccc(C=NOC[C@@H]2CCCO2)c1Cl 795199975 QFCNDILIUOLJJQ-JTQLQIEISA-N 274.147 3.523 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H](C)c1ccc(F)c(F)c1 797884597 RFPHFHMQFLTVGD-QMMMGPOBSA-N 291.253 3.656 30 20 CHED CSCCON=C1CCC[C@@H]1c1ccc(F)cc1 794572299 FEYVRVROYPMENO-CYBMUJFWSA-N 267.369 3.829 30 20 CHED CCCC[C@H]1CCCC1=NNCCC(F)(F)F 794546943 DTZHTUZWBAKZGD-JTQLQIEISA-N 250.308 3.875 30 20 CHED C=C(C)CN(C)C(=S)Nc1cc(Cl)ccc1OC 792688667 TZYDEORJGJHIKE-UHFFFAOYSA-N 284.812 3.553 30 20 CHED CC(=NNc1nccn1C)c1ccc(Cl)cc1Cl 790303615 VKRHXXWMWGCQJS-UHFFFAOYSA-N 283.162 3.563 30 20 CHED CCO[C@@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 721157343 FLENSPWPGSKEFN-JKSUJKDBSA-N 258.365 3.512 30 20 CHED CCC(=NNc1ncccc1C)c1ccc2c(c1)CCCO2 790188342 XTTOSMVIJSWVMX-UHFFFAOYSA-N 295.386 3.941 30 20 CHED C=C(C)CCN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 775639215 OHGDAEQLAOGYQI-IRXDYDNUSA-N 277.383 3.680 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@H]1COc2ccccc21 92301289 DEHWEEKGVMUKRU-LBPRGKRZSA-N 284.746 3.800 30 20 CHED C#CCC(C)(C)C(=O)N(CCC(C)C)CCC(C)C 791122952 HLHPMHFRSNHZIT-UHFFFAOYSA-N 265.441 3.957 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(Cn2cccc2)cc1 1319851023 KRSBIGBEISKXSO-UHFFFAOYSA-N 296.370 3.633 30 20 CHED Cn1ccc(NN=C2CCC(C3CCCCC3)CC2)n1 1320926022 PALMWHZXSNDYEH-UHFFFAOYSA-N 274.412 3.959 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc3c(c2)CCC3)cc1 1329666070 LJVAEQLDFFLBFN-XFFZJAGNSA-N 273.335 3.943 30 20 CHED C=CCCN(C)C(=O)c1c(-n2cccc2)sc(C)c1C 1321729080 KITXQIYCEZHQLC-UHFFFAOYSA-N 288.416 3.804 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 1324561034 OKRRRENAUWGZAH-NVXWUHKLSA-N 295.426 3.848 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CSCc2cccs2)C1 1325324512 JTLGPYBJOVFKKQ-VXGBXAGGSA-N 295.429 3.607 30 20 CHED C=C(C)CCC(=O)N1CCC(Oc2cccc(F)c2)CC1 1337298940 KDGKRSRGCRMDTH-UHFFFAOYSA-N 291.366 3.552 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C2CCCC2)oc2ccccc12 1332674761 FODMZAVXIHPIPU-AWEZNQCLSA-N 282.343 3.553 30 20 CHED CC(C)(C)c1ccc(C2(C(=O)NCCCCC#N)CC2)cc1 1338559231 ZMNNHRUWDWAJLL-UHFFFAOYSA-N 298.430 3.826 30 20 CHED CC[C@H](NCCCc1nc(C)cs1)c1cccc(C#N)c1 1331985315 XASAXHSIEKJMAZ-INIZCTEOSA-N 299.443 3.997 30 20 CHED Cc1c(Cl)cnc(N[C@H](C)CC(C)C)c1C#N 1185880957 GRBPYKVAPZFIPH-SECBINFHSA-N 251.761 3.762 30 20 CHED CC(C)(C)c1ccc(NN=C2CCc3ccc(F)cc32)nn1 1330901945 KVEGVOGUQQBTGQ-UHFFFAOYSA-N 298.365 3.676 30 20 CHED C=CC[C@H](N[C@@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)O 1334016607 PNUWVFYADJOZOX-MJBXVCDLSA-N 267.413 3.600 30 20 CHED C=CCC[C@H]1CCCN1c1nc(C#N)c(Cl)s1 1338156392 YFUHEEYMXKBFQQ-VIFPVBQESA-N 267.785 3.603 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)[C@H](C#N)c1nccn1C 1343854233 WXJKOGBMCAUFNB-WMLDXEAASA-N 289.423 3.983 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 1347715734 IYFXVDXINABMOR-ZDUSSCGKSA-N 289.335 3.557 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ncc(Cl)cc1Cl 1347050888 SSOFZMLQRCZIJR-SNVBAGLBSA-N 285.174 3.569 30 20 CHED Cc1cc(F)ccc1-c1ccc(C=NNc2ccn(C)n2)o1 1343529525 LUMGNRYVEZKLPI-UHFFFAOYSA-N 298.321 3.574 30 20 CHED C=C(CC)C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 1346686459 CPSSKGIQDYUDKW-AWEZNQCLSA-N 284.359 3.848 30 20 CHED CCCCCC[C@@H](CC)C(=O)[C@H](C#N)c1nccn1C 1342269315 USZPLGGGFLZRTB-KGLIPLIRSA-N 275.396 3.593 30 20 CHED CCn1cc(Cl)cc1C(=O)O[C@H](C)CC(C)(C)C#N 1346708762 CYBCEAQRZKAUSM-SNVBAGLBSA-N 282.771 3.647 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1F)C1CCCCC1 1359882938 JRTUIMMCHAIGAP-INIZCTEOSA-N 288.366 3.786 30 20 CHED N#Cc1sccc1C(=O)NCc1ccc2sccc2c1 1274854902 WNZCFDSEJUYLJB-UHFFFAOYSA-N 298.392 3.764 30 20 CHED C[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(OCC#N)cc1 221672211 RIZJNAFQHSUCHP-WWGRRREGSA-N 258.365 3.826 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)cc1Cl)c1ccco1 1517070521 AXEBQJJGRWDNCW-SNVBAGLBSA-N 288.734 3.937 30 20 CHED C[C@@H](OC(=O)c1csc(C#N)c1)C(Cl)(Cl)Cl 1516820834 QIWAKEZARAWJPD-RXMQYKEDSA-N 298.578 3.535 30 20 CHED N#Cc1cccc(CN2CC[C@@H]3CCCC[C@@H]3C2)c1F 223516652 RDICNTOWNWYXOW-DZGCQCFKSA-N 272.367 3.709 30 20 CHED CC[C@@H](OC(=O)c1cccc(C#N)c1C)c1ccncc1 1528450561 ZHSDQMAWMYFACP-MRXNPFEDSA-N 280.327 3.570 30 20 CHED CC(C)C(CNc1ccc(Cl)c(C#N)n1)C(C)C 1458325597 DJCKXUWPCDOWCL-UHFFFAOYSA-N 265.788 3.947 30 20 CHED Cc1ccc2nc(C3CC3)cc(C(=O)O[C@H](C)CC#N)c2c1 1523852755 QCENDZYCHCXKJU-GFCCVEGCSA-N 294.354 3.880 30 20 CHED CC1(C)CCC[C@H](NC(=O)[C@@H](CC#N)c2ccccc2)C1 1537492584 KXJSJWIRWCBRFJ-HOTGVXAUSA-N 284.403 3.769 30 20 CHED CSc1cc(C)c(C(=O)Nc2cccc(C#N)c2C)o1 1533220637 HVJPWZMKZQOXNA-UHFFFAOYSA-N 286.356 3.742 30 20 CHED CC[C@@H](Nc1cc(C)c(C#N)cn1)c1cc(F)ccc1OC 1612939485 GUDXGDAISJPWGY-OAHLLOKOSA-N 299.349 3.973 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Nc1cc(C#N)ccc1F 1476714810 AYMYPUYHNCADMB-GFCCVEGCSA-N 297.333 3.922 30 20 CHED COc1cc(Oc2ncnc3scc(C)c23)ccc1C#N 1612322138 VJFLUSXSGBCEMX-UHFFFAOYSA-N 297.339 3.672 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3cc(C)c(C#N)cn3)C2)cc1 1612321709 GMXQUEZVWRAQNB-NVXWUHKLSA-N 291.398 3.953 30 20 CHED Cc1ccc(C[C@H](Sc2ccc(C#N)cc2)C(=O)O)cc1 1610500232 ZNSVXKVKWHMGTB-INIZCTEOSA-N 297.379 3.655 30 20 CHED N#Cc1cnc(Oc2cccc(F)c2)c(Br)c1 1559053730 GOIZWWZODDSNOT-UHFFFAOYSA-N 293.095 3.647 30 20 CHED N#Cc1ccc(Br)c(CNC2CCCCC2)c1 1620695526 VSEFVIKBWGWXOC-UHFFFAOYSA-N 293.208 3.743 30 20 CHED CN1CCN(CCCC(C)(C)C#N)c2ccc(Cl)cc21 1620469671 GDTYETYRERDJLC-UHFFFAOYSA-N 291.826 3.926 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1623608774 BGJKHNZIWPMBBS-CYBMUJFWSA-N 298.390 3.835 30 20 CHED CC[C@@H](C)CN(CC)c1nc(C#N)c(Cl)s1 1639570677 YNBUSGDDSDEVBI-MRVPVSSYSA-N 257.790 3.541 30 20 CHED N#Cc1ccc(F)cc1COc1ccc(C=O)cc1Cl 122445515 FHJQJEZRDVDLAP-UHFFFAOYSA-N 289.693 3.742 30 20 CHED C=C(Cl)CSc1nc(Cc2ccccc2)no1 1653054146 GTMVJKKGZXFABJ-UHFFFAOYSA-N 266.753 3.505 30 20 CHED C=CCSCCNCc1sccc1Br 231357931 KZVRFNJTFLFVFA-UHFFFAOYSA-N 292.267 3.519 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1659392572 CPIPPGSSAWMRDB-DGADGQDISA-N 282.387 3.803 30 20 CHED C=CC[C@@H](Sc1nc2cc(C)ccc2s1)C(=O)O 1588758524 HGPQXKMLWLDIMH-LLVKDONJSA-N 279.386 3.726 30 20 CHED CC(C)c1ccccc1C=NNc1ccc(CC(=O)O)cc1 1591994272 GSLZUVBYQGFKOD-UHFFFAOYSA-N 296.370 3.883 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(CC)CCC 1760366044 OVEHWDLLZLLCCF-NSHDSACASA-N 284.835 3.780 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2cccc(C(=O)O)c2)C1 1776036983 DQAQQIGIEZPEEG-QWHCGFSZSA-N 274.364 3.999 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@H]2CCC(C)(C)C2)CC1 1776158240 GNZTUQSLELFORG-AWEZNQCLSA-N 279.424 3.556 30 20 CHED C[C@@H]1Cc2ccccc2C(=O)/C1=C/c1csc(C(=O)O)c1 1776665892 IWVTVPMBLRJYTJ-FBWGLTFQSA-N 298.363 3.905 30 20 CHED CCC(=NNc1ccc(CC(=O)O)cc1)c1ccccc1 1776083491 JSGPNUASBQNJHO-UHFFFAOYSA-N 282.343 3.540 30 20 CHED CC(C)c1ccc(NN=Cc2ccc(/C=C/C(=O)O)o2)cc1 1776060068 BAYHSIQISSUVMX-LNXNABGQSA-N 298.342 3.947 30 20 CHED Cc1cccc(C=NNc2cccc(C(=O)O)c2C)c1F 1776088181 VPDGHEZCCDRKRL-UHFFFAOYSA-N 286.306 3.587 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cccc(CC(=O)O)c1 1777477290 WVPDIKMDQDXNQI-WAYWQWQTSA-N 286.352 3.580 30 20 CHED C=CCOC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 16183727 MVKOFXIGVKBEED-UHFFFAOYSA-N 298.367 3.738 30 20 CHED N#Cc1cccc(NC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)c1 151621168 QVPIXBYOHBLEKM-JDPPGYRCSA-N 298.361 3.805 30 20 CHED CCOc1cc(C)ccc1CNCc1cc(C#N)cs1 153455264 GNDNVNZAZOGRHG-UHFFFAOYSA-N 286.400 3.617 30 20 CHED C=C(C)CNC(=O)NC(c1cccs1)c1cccs1 156247345 GDAYFCUSEJUWIM-UHFFFAOYSA-N 292.429 3.774 30 20 CHED CCCCS[C@@H](C)C(=O)Oc1ccc(C#N)cc1F 157918623 QGXHAXUZQMMCLW-JTQLQIEISA-N 281.352 3.525 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)Cc1cccc2ccccc12 154348110 MPUSAXJTQHFMIX-MRXNPFEDSA-N 281.355 3.864 30 20 CHED C=CCN(C)C(=O)NCC(C)(C)c1ccc(F)cc1Cl 154793984 YMNTXMSVGGULIE-UHFFFAOYSA-N 298.789 3.584 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCOc2ccc(F)cc21 925382622 LUZUKKCJRQGAIS-RISCZKNCSA-N 276.355 3.567 30 20 CHED C[C@H]1[C@H](C)CCCN1c1nc(C(C)(C)C)ccc1C#N 1148349603 SCAAPOCBLRWRDQ-OLZOCXBDSA-N 271.408 3.876 30 20 CHED COc1cccc(SCc2cc(C#N)ccc2OC)c1 129275538 NKIONZVOVSYCIK-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C[C@@H](Nc1ncnc2ccsc12)c1ccc(C#N)cc1 29588820 BAVDEPWPVXPDNI-SNVBAGLBSA-N 280.356 3.736 30 20 CHED N#Cc1ccccc1OCCSc1ccc(F)cc1 34651688 RDBHHFHIYUKFDB-UHFFFAOYSA-N 273.332 3.868 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2cc(C#N)ccc2F)C1 42373854 KXMMZFFPPOFBFM-DOMZBBRYSA-N 260.356 3.708 30 20 CHED C=CC[C@H](C)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 163308027 KISRBFLAKLNBCF-SWLSCSKDSA-N 262.353 3.990 30 20 CHED N#C[C@@H](NC(=O)c1ccc(Cl)cc1F)C1CCCCC1 40360359 LQHSHOJZLHHFMB-CQSZACIVSA-N 294.757 3.681 30 20 CHED CC(C)n1ccc(N[C@H](C)c2cccc(C#N)c2)n1 280913055 HTPQMUHTXIHDAU-GFCCVEGCSA-N 254.337 3.509 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)cc1F 53899195 JFOKHILZSSNSRL-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC[C@@H](F)C1 567853835 PWWHYRRKGFKHGE-CABCVRRESA-N 263.356 3.622 30 20 CHED C[C@@H]1CCC[C@H]1Nc1nc2ccccc2cc1C#N 71385940 HENUCDMRRMRTJO-BXUZGUMPSA-N 251.333 3.707 30 20 CHED N#CC1(C(=O)Nc2cccc(C(F)F)c2)CCCC1 195425077 OHDVFPOBGRUGOK-UHFFFAOYSA-N 264.275 3.647 30 20 CHED CC(C)CN(Cc1ccc(C#N)c(F)c1)CC(F)(F)F 404079196 ONKPEPKGAFFAHB-UHFFFAOYSA-N 288.288 3.718 30 20 CHED CN(CCC1CC1)c1ccc(C#N)c(Br)c1 309579672 RONCGCVGDGZRCT-UHFFFAOYSA-N 279.181 3.557 30 20 CHED Cc1cc(C)cc(CNc2cc(F)cc(C#N)c2)c1 600857711 FUQIYMCVLFMWJM-UHFFFAOYSA-N 254.308 3.926 30 20 CHED N#Cc1cc(F)cc(OC[C@H]2CCC3(CCCC3)O2)c1 313427022 YGAPYRHPNJZTNX-CQSZACIVSA-N 275.323 3.568 30 20 CHED C=C(CC)CN[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 313501930 KRGVYZLSFDKUFZ-GJZGRUSLSA-N 296.455 3.626 30 20 CHED Cc1ccsc1[C@@H](C)NCc1ccc(C#N)s1 421896819 ZTFAVKIZGMHAQB-SNVBAGLBSA-N 262.403 3.841 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C1(c2cccc(Cl)c2)CCC1 701191128 PBHBGCSCARWTSY-LBPRGKRZSA-N 290.794 3.522 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1ccsc1 343584274 BPWKKZGQHIZRDN-LBPRGKRZSA-N 256.374 3.513 30 20 CHED C=CCC[C@@H](C)NC[C@H]1CCC2(CCCCC2)O1 477869837 YJAAFWXAFGGVGT-HUUCEWRRSA-N 251.414 3.813 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1CCC2(CC1)CC2 596996359 UNFVZMPYAAXSQE-UHFFFAOYSA-N 268.360 3.776 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](CC#N)C1 397876297 YVQLBIARVVKEOT-OAHLLOKOSA-N 264.413 3.889 30 20 CHED Cc1cc(N2CC[C@@H](CC(C)(C)C)C2)c(C#N)cn1 399494296 IVWWBCQFFLJWRD-ZDUSSCGKSA-N 257.381 3.524 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(Cl)c(Br)c1 775182512 AXTVOGWHKNCKCR-SECBINFHSA-N 286.600 3.556 30 20 CHED C[C@H](C#N)OC(=O)c1sc2ccccc2c1Cl 3448058 MACSZPRDMVIEPH-SSDOTTSWSA-N 265.721 3.624 30 20 CHED Cc1ccc(C)c(OC(=O)c2ccc(C#N)cc2)c1C 3473829 WIUZCNZGNVBVJC-UHFFFAOYSA-N 265.312 3.703 30 20 CHED N#Cc1cccc(C(=O)OCc2c(F)cccc2Cl)c1 3509145 OWTYKACXXPLRFD-UHFFFAOYSA-N 289.693 3.708 30 20 CHED N#Cc1ccccc1COC(=O)c1ccc(Cl)s1 7005497 FATQXFKHHVHCDL-UHFFFAOYSA-N 277.732 3.630 30 20 CHED C[C@@H](C#N)CNCc1ccc(-c2nc3ccccc3s2)o1 54180630 XTMXBZSSNPCFCN-NSHDSACASA-N 297.383 3.806 30 20 CHED Cc1ccc(C(C)(C)CC(=O)N(CCC#N)CC2CC2)cc1 103438497 NLKONAZDJZFTPW-UHFFFAOYSA-N 298.430 3.815 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 56817260 DJNLBHNMKQUMRW-WMLDXEAASA-N 299.418 3.526 30 20 CHED CN(CCC#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 176544396 DMCRBUFKBQIPKA-UHFFFAOYSA-N 291.354 3.635 30 20 CHED C=C(C)COC(=O)c1csc(-c2c(F)cccc2F)n1 171146689 FIFVRVXXQHXOLL-UHFFFAOYSA-N 295.310 3.821 30 20 CHED CN(CCC#N)CCCCCc1cc(-c2ccccc2)n[nH]1 108374156 JBJWJOJZCJNJFN-UHFFFAOYSA-N 296.418 3.635 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)C[C@@H](c2ccsc2)O1 246396059 ILQBZKXXBONNSL-HIFRSBDPSA-N 292.448 3.840 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](CC)c1ccccc1 103364077 UZPRKZJDBCVVFX-OAHLLOKOSA-N 259.393 3.995 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc(-c2ccccc2)cc1 113687995 ATTUBQYCABIEPQ-CYBMUJFWSA-N 265.312 3.813 30 20 CHED Cc1ccc(-c2cc(CN(CCC#N)CC3CC3)on2)cc1 174697259 VHLDMONWOVTYLM-UHFFFAOYSA-N 295.386 3.776 30 20 CHED Cc1ccc(C[C@@H]2CCCN2CCCCC#N)cc1 113264339 GKQHFBWVXLGOFQ-KRWDZBQOSA-N 256.393 3.696 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)c2cccc(OC)c2)CC1 177253396 FCTCNCZOFVLANO-CQSZACIVSA-N 287.403 3.613 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)cc1Br 179871263 RBAMNSACCDIXNR-UHFFFAOYSA-N 294.192 3.890 30 20 CHED C#CCCCCC(=O)Nc1ccc2oc(C3CC3)nc2c1 179736579 OBOYDBBGSBNXLJ-UHFFFAOYSA-N 282.343 3.837 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1ccc(F)c(F)c1 178943505 PFBJGKODOMBAFS-FNORWQNLSA-N 284.265 3.509 30 20 CHED C=C(C)CNc1cccc(NC(=O)OCC(C)C)c1 63480268 SRBHDXNNSWWKCU-UHFFFAOYSA-N 262.353 3.879 30 20 CHED C=CCN(CCc1csc(C)n1)Cc1cccc(C#N)c1 119612113 CXSFHNZCDFNKHQ-UHFFFAOYSA-N 297.427 3.554 30 20 CHED N#CCCCOC(=O)[C@@H](Oc1ccccc1)c1ccccc1 61451840 VFISEJQMKXPRAW-KRWDZBQOSA-N 295.338 3.654 30 20 CHED N#CCC1(COC(=O)CCc2ccc(Cl)cc2)CC1 174733025 XCLOTWBJFSNZLU-UHFFFAOYSA-N 277.751 3.510 30 20 CHED Cc1cccc([C@@H](C)/N=C/c2ccc(O)c(O)c2O)c1C 115184080 UNWCWAGIVOANJD-KBSHCFNASA-N 285.343 3.600 30 20 CHED CCn1c(S[C@@H](C#N)C2CCCCC2)nnc1C1CC1 115186384 BJGYWIZKGYNWKJ-ZDUSSCGKSA-N 290.436 3.740 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1F 421363634 LVPNPWKRBAJGOO-OFQRWUPVSA-N 272.367 3.756 30 20 CHED CC[C@@H](CCO)CNc1c(C#N)cnc2c(C)cc(C)cc12 301592636 ZMDHIMYBKSWMGN-AWEZNQCLSA-N 297.402 3.544 30 20 CHED CCc1ccc(-c2nc(CN(C)C[C@@H](C)C#N)cs2)cc1 64796896 QUKXHGLDNRZCJK-ZDUSSCGKSA-N 299.443 3.964 30 20 CHED N#Cc1ccc(N[C@@H](c2ccc(F)cc2)C2CCCC2)nn1 302010660 WDSMXERIPBNVPZ-QGZVFWFLSA-N 296.349 3.831 30 20 CHED C[C@@H](c1ccc(F)c(Cl)c1)N(C)C[C@@H](C)C#N 66470505 XDNCMPVLSXSCKH-UWVGGRQHSA-N 254.736 3.632 30 20 CHED N#Cc1ccc(N[C@H](c2ccccc2)C2CCC2)nc1 301208116 SOWDDETXNKVIAZ-QGZVFWFLSA-N 263.344 3.907 30 20 CHED C[C@H](CC(=O)Nc1cc(C#N)ccc1O)c1cccc(F)c1 176818460 NXRQTAAQFPBQAL-LLVKDONJSA-N 298.317 3.535 30 20 CHED N#Cc1c(Cl)nsc1N(Cc1cccs1)C1CC1 301568500 ZTKNRMKEPVDEFN-UHFFFAOYSA-N 295.820 3.899 30 20 CHED C#CCCCN[C@H](CC)c1ccccc1OC(F)F 178059464 ZVOFNNSSLWPJKU-CYBMUJFWSA-N 267.319 3.742 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)C1(C#N)CCCC1 68707398 DFKBPRNKUQOKOG-INIZCTEOSA-N 284.403 3.598 30 20 CHED Cc1cc2ncn(Cc3ccc(F)c(C#N)c3)c2cc1C 179507507 KZZCSDACDBJXFI-UHFFFAOYSA-N 279.318 3.712 30 20 CHED CC[C@H](C#N)NC(=O)C(CC)(CC)c1ccc(Cl)cc1 123922993 BKUKHRMZDLGPOX-CQSZACIVSA-N 292.810 3.816 30 20 CHED C=CCCSc1nnc(-c2ccccc2)n1CC=C 128517523 NCCOXWSBUUVKAX-UHFFFAOYSA-N 271.389 3.799 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1C[C@H]1c1c(F)cccc1F 302882583 KASVESPANAFRNV-DOMZBBRYSA-N 295.292 3.676 30 20 CHED CN(CCCSCC#N)Cc1ccc(Cl)c(F)c1 127735659 AAPRQUIUYRDTFV-UHFFFAOYSA-N 286.803 3.558 30 20 CHED CCc1ccc(OCCCOc2ccc(C#N)cc2)cc1 34674966 CXKOVQSEHZRZFW-UHFFFAOYSA-N 281.355 3.969 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)c1ccc(C#N)cc1 301287323 RWYCILZRPQCABW-LBPRGKRZSA-N 254.308 3.895 30 20 CHED C=CCOc1ccc(CNCc2ccccc2OCC)cc1 67217281 CEEZURZNIFGHNS-UHFFFAOYSA-N 297.398 3.940 30 20 CHED CC1(C)CC(Nc2cccc(C#N)n2)CC(C)(C)C1 125660001 IYEQASDQPWVAGQ-UHFFFAOYSA-N 257.381 3.970 30 20 CHED CC(=O)c1sccc1OCc1ccc(F)cc1C#N 186576766 BJVVLYWWBJKBQG-UHFFFAOYSA-N 275.304 3.540 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cccc(OC(C)C)c1 182602454 DNZQFWCLSNSYKA-HNNXBMFYSA-N 289.419 3.877 30 20 CHED CC(C)(CC#N)COC(=O)CCc1c[nH]c2ccccc12 184826523 IEBCYBGPUAXOFV-UHFFFAOYSA-N 284.359 3.584 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1c[nH]c2c(C)cccc12 188447679 HZQPUQKHAJZWBT-SFHVURJKSA-N 284.403 3.737 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1C 182027630 MAWYCTMHTGAOLI-CQSZACIVSA-N 294.354 3.847 30 20 CHED COc1ccc(CCCN[C@H](C)c2cccc(C#N)c2)cc1 181548935 BWOJTNXPTGOZDQ-OAHLLOKOSA-N 294.398 3.850 30 20 CHED C[C@H](CCc1ccccc1)CNCC1(C#N)CCC1 418144946 VZAKBSOOSHSPKO-OAHLLOKOSA-N 256.393 3.539 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)c(Cl)c1 281850769 JNGPSYMYRCNYNI-JTQLQIEISA-N 298.720 3.976 30 20 CHED C=CCC1(C(=O)N2CCC(C(F)(F)F)CC2)CCC1 188424429 ZTMLJYRDNDAURY-UHFFFAOYSA-N 275.314 3.534 30 20 CHED N#C[C@H](C(=O)c1occc1-c1ccccc1)c1ccccn1 73970338 POIGEOJOBIFOHO-HNNXBMFYSA-N 288.306 3.832 30 20 CHED COCCCCCSCc1cc(C#N)ccc1OC 151512971 KTCZFQPWWPMJTK-UHFFFAOYSA-N 279.405 3.617 30 20 CHED CC(=O)c1cc(N[C@@H](C#N)C2CCCCC2)ccc1F 504408623 RZSPKVOOSSTNOB-INIZCTEOSA-N 274.339 3.913 30 20 CHED CCCCCCCC(=O)N(C)Cc1nccn1C(F)F 123649463 OJFSGDPISRWUMB-UHFFFAOYSA-N 287.354 3.597 30 20 CHED CC(C)N(Cc1cccnc1)Cc1ccc(C#N)cc1F 125713540 AKHVCAYFHKKFJG-UHFFFAOYSA-N 283.350 3.503 30 20 CHED C=CCCC1(C(=O)Nc2ncc(CCCC)cn2)CC1 411078361 KUEKTZMTMXFDQY-UHFFFAOYSA-N 273.380 3.504 30 20 CHED Cc1c(Cl)cccc1C(=O)N1CCCC(C)(C)[C@H]1C#N 362716979 OXHVJSXOPOPJJY-CQSZACIVSA-N 290.794 3.803 30 20 CHED C=CCC[C@@H](C(=O)Nc1ccncc1F)c1ccccc1 188907723 LZSANWIODHERPE-CQSZACIVSA-N 284.334 3.909 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C1CCCC1)C1CC1 181095138 XWNDFWYHYJGFKG-CYBMUJFWSA-N 264.413 3.848 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)c3ccccc32)CCC1 188771624 FZRRXMOSCQPWEM-ZDUSSCGKSA-N 255.361 3.883 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCOc2ccccc21 187838886 RPWXFCDQADKDCE-RHSMWYFYSA-N 273.376 3.619 30 20 CHED CC(C)(CCC#N)CNCc1ccc([N+](=O)[O-])cc1Cl 183810276 NJHBUYYCVSBRIR-UHFFFAOYSA-N 295.770 3.668 30 20 CHED CC(C)OCCCNc1cc(C#N)ccc1C(F)(F)F 120445315 IVDVHTRXIVEEEI-UHFFFAOYSA-N 286.297 3.804 30 20 CHED CCCC(=O)Nc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 185781391 MKNJVZWFNXXBJN-NVXWUHKLSA-N 299.418 3.597 30 20 CHED Cc1ccccc1CCC(=O)N[C@@H](C)c1ccc(C#N)cc1 504328794 LJUNXRYFCOSWAM-HNNXBMFYSA-N 292.382 3.677 30 20 CHED CCOC(=O)c1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 315466801 JGIYPTQTQWLNNU-ZDUSSCGKSA-N 294.354 3.908 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1c[nH]c2c(C)cccc12 182652132 REYJDNASXILBMW-CQSZACIVSA-N 284.403 3.880 30 20 CHED COc1c(F)cc(NCc2ccc(C#N)s2)cc1F 157081299 GGZMUKRZIXOMER-UHFFFAOYSA-N 280.299 3.519 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 185794956 KZEBNSZANQZIGX-SLEUVZQESA-N 290.794 3.836 30 20 CHED C=CC[C@@H](CC)NC(=O)CCC(=O)c1cc(C)ccc1C 410145371 LLFQHRSZCCACPT-OAHLLOKOSA-N 287.403 3.737 30 20 CHED Cc1ccc(C(=O)[C@H](C)Sc2cc(C#N)ccn2)cc1C 71918330 IKUATDJPBXLOMN-ZDUSSCGKSA-N 296.395 3.934 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1nc(C)cs1 414541455 WBDPISOXIUPRNU-HNNXBMFYSA-N 272.417 3.729 30 20 CHED C=CCN(CC=C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C 411165071 NXUKQFHEEZCVFE-ZDUSSCGKSA-N 292.810 3.649 30 20 CHED Cc1cccc(C)c1CNc1ccc(C#N)cc1[N+](=O)[O-] 130496536 RWNZIIMOPUGRRO-UHFFFAOYSA-N 281.315 3.695 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1csc(Cl)c1Cl 417606375 DUBNSVPCQYHFGQ-QMMMGPOBSA-N 294.203 3.564 30 20 CHED C=C1CCN(C(=O)[C@@H]2CC(C)(C)Oc3ccccc32)CC1 412044414 OLNDZVYPQYCGAH-OAHLLOKOSA-N 285.387 3.510 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C)c1nnc(CC)o1 411264484 VCTXCJUDSAYYCA-ZDUSSCGKSA-N 277.412 3.761 30 20 CHED Cc1ccc(OCCCNc2cccc(F)c2C#N)cc1 507016498 YFUPQADZWCGSBJ-UHFFFAOYSA-N 284.334 3.887 30 20 CHED Cc1cc(C)c(CNc2ncc(C#N)cc2F)c(C)c1 413090603 AIHHURJDAFZWON-UHFFFAOYSA-N 269.323 3.630 30 20 CHED C=CCc1ccc(OCCc2cscn2)c(OC)c1 418822949 NGZOPHXWIODSDY-UHFFFAOYSA-N 275.373 3.502 30 20 CHED CCCN(CC#N)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 81857950 SJZJJGPXXGIWJK-JTQLQIEISA-N 299.201 3.859 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1C(F)F 425692469 MSTMCHKQTFLKNL-SECBINFHSA-N 254.280 3.710 30 20 CHED CC[C@]1(C)CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 426142214 YVKMUFYOSSAQIM-OAHLLOKOSA-N 291.782 3.866 30 20 CHED CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 424325463 KXMQNCMRHHUYLU-JGGQBBKZSA-N 287.363 3.718 30 20 CHED CC(C)(C)c1nnc(C/N=C(/O)[C@H]2CC23CCCC3)s1 329836698 MRDCEHCKDQXTBK-SNVBAGLBSA-N 293.436 3.872 30 20 CHED COCCCCNc1ccccc1S[C@@H](C)CC#N 89660396 HDZIQFKPNRXDFH-ZDUSSCGKSA-N 278.421 3.919 30 20 CHED CCc1cc(O)ccc1NC(=O)Nc1ccc(F)c(C#N)c1 192204847 WKPXLUBXRMLSSF-UHFFFAOYSA-N 299.305 3.609 30 20 CHED CCOC(=O)C[C@H](C)C/N=C/c1c(O)ccc2ccccc12 89574581 SCGYEPZNEAVGOD-HCZVKUGISA-N 299.370 3.554 30 20 CHED N#C[C@@H](C(=O)c1ccc(C2CCCC2)cc1)c1ccncn1 518449518 PBQPKTWYKCCVFU-MRXNPFEDSA-N 291.354 3.624 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCCC2(CC2)C1 337869235 SXBYYDWAHZFVMD-UHFFFAOYSA-N 294.402 3.512 30 20 CHED C[C@H](Nc1cc(Cl)ccc1C#N)c1cncs1 229114874 RJMAYGVLDQXTAZ-QMMMGPOBSA-N 263.753 3.841 30 20 CHED C=C[C@H](Cc1nc(C2(N)CCCCC2)no1)c1ccccc1 424340755 HLRHUGQUNXTVQN-CQSZACIVSA-N 297.402 3.700 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)c1cccc(C)c1)OCC 339422709 XXUBSFVWCAFNAW-INIZCTEOSA-N 275.392 3.719 30 20 CHED CCC1(/N=C(/O)Nc2ccc(SC)cc2)CCOCC1 330703115 KNRGBQYCPBOHKC-UHFFFAOYSA-N 294.420 3.694 30 20 CHED N#Cc1ncccc1N1CCC(Cc2ccc(F)cc2)CC1 517002380 PNLQWYUMROIDCS-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)c1c(F)cccc1Cl 81382229 KEIOHJXQRCWLBF-JTQLQIEISA-N 294.757 3.740 30 20 CHED C[C@@H](N=c1cc[nH]c(C#N)c1)c1cc(Cl)ccc1Cl 515686038 IOFHIQJUMDBCRJ-SECBINFHSA-N 292.169 3.855 30 20 CHED C=CCOc1ccc(CNCc2cc(F)ccc2C)cc1 512574047 PTFGNTCKAGEZDH-UHFFFAOYSA-N 285.362 3.989 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(F)cc2F)s1 336326364 QAQDSQLKIAFFQZ-UHFFFAOYSA-N 292.310 3.713 30 20 CHED C=CCSCCNC(=O)[C@H](CCC)c1ccccc1 194503595 HTVRQPQHCSVIFH-OAHLLOKOSA-N 277.433 3.606 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCCC[C@H]2SCC)CC1 428347431 HULWHUYVEMRKFS-HUUCEWRRSA-N 296.480 3.658 30 20 CHED C=C(Br)COC(=O)CCCc1cccs1 194008584 GGBPESPZKRWDDU-UHFFFAOYSA-N 289.194 3.523 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1ccc(O)cc1 97992937 HZMPCLHZHFXPFR-YWEYNIOJSA-N 260.239 3.567 30 20 CHED C[C@]1(C/N=C(/O)Nc2ccc(C3CCC3)cc2)CCOC1 330233388 XWNDLNMJINABDK-QGZVFWFLSA-N 288.391 3.707 30 20 CHED Cc1ccc(S(=O)(=O)[C@H](C)c2cccc(C#N)c2)cc1C 335788777 CUZFGMMEOQIBSJ-CQSZACIVSA-N 299.395 3.710 30 20 CHED C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)C1CCCCC1 424995179 KCVCHSDXTKUQBN-YJBOKZPZSA-N 298.430 3.844 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 513181820 DFZURNURFDKQQF-QWHCGFSZSA-N 257.381 3.958 30 20 CHED CCCCCCCCNC(=O)/C=C\c1ccc(O)c(O)c1 146350640 DWBPZEWVSALRKR-LUAWRHEFSA-N 291.391 3.588 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(C#N)ccc1Cl 513002426 YTXWHTKKZRHHPK-GHMZBOCLSA-N 290.794 3.766 30 20 CHED CC(C)c1nc(C(=O)Nc2ccccc2CC#N)cs1 339162989 CBACNDSKGIQRHQ-UHFFFAOYSA-N 285.372 3.585 30 20 CHED Cc1ccncc1[C@H](C)NCCCCC(C)(C)C#N 618305275 YVQFPWLWGLDUFR-AWEZNQCLSA-N 259.397 3.761 30 20 CHED CC(C)C[C@H](C)n1nccc1N/C(O)=N/[C@H]1CC=CCC1 331153239 XTZOSBKBPZREPN-KBPBESRZSA-N 290.411 3.925 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 332735339 XVPJRJONCUITMN-HWMZRRJGSA-N 276.424 3.647 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1c(F)cccc1F 331043833 DUMDFFAZUBEDRG-AWEZNQCLSA-N 266.291 3.598 30 20 CHED N#Cc1ccc(CNCc2cc(-c3ccccc3)on2)cc1 237843006 DHTNVFBLVDAABQ-UHFFFAOYSA-N 289.338 3.503 30 20 CHED CSc1ccc(NC2CCC(C)(C#N)CC2)nc1 336222234 ODKHBNRCCKIQGK-UHFFFAOYSA-N 261.394 3.688 30 20 CHED CC1CC(/N=C(/O)Nc2ccc3nn(C(C)C)cc3c2)C1 330036490 YGYSIVAHOQIITD-UHFFFAOYSA-N 286.379 3.742 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 433384999 XFMDICWTEKFBLP-ROUUACIJSA-N 298.430 3.654 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)[C@@]1(C#N)CC12CCCC2 333025801 ANZBYQQSKCNHKB-KDOFPFPSSA-N 288.435 3.936 30 20 CHED Cc1cc(Oc2ccc(C#N)c3ccccc23)nc(C)n1 338829357 ROZMIWIQFHJTOX-UHFFFAOYSA-N 275.311 3.911 30 20 CHED C=CCCSCc1ccc(S(=O)(=O)C(C)C)cc1 339091628 ZOJGBJUQSWMWAQ-UHFFFAOYSA-N 284.446 3.678 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@H](C)CC(C)C 431840856 PASHTHMGIHNHBY-LBPRGKRZSA-N 258.365 3.878 30 20 CHED Cc1ccc(-c2ccc(CN(C)[C@@H](C)CC#N)o2)cc1 93091026 TWYHMKRQVVLRIY-AWEZNQCLSA-N 268.360 3.989 30 20 CHED N#Cc1cccc(NCCc2cccc(Cl)c2Cl)n1 522935655 BSAQZBDXMLZRIZ-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CC(C)(CCC#N)CNC(=O)Cc1ccc2ccccc2c1 345890661 RECIASUFYZDVOS-UHFFFAOYSA-N 294.398 3.828 30 20 CHED N#CC[C@H](Cc1nc(C2CCCC2)no1)c1ccccc1 345917775 FHOWLHMTBUGXGD-OAHLLOKOSA-N 281.359 3.967 30 20 CHED C=CCN[C@H](CCOC)c1ccc(Cl)c(Cl)c1 342016781 JYTMXLQOEXRSSB-CYBMUJFWSA-N 274.191 3.847 30 20 CHED CC#CCN1CC=C(c2cccc3ccccc23)CC1 525119447 HFJRWBFEVRDAOW-UHFFFAOYSA-N 261.368 3.952 30 20 CHED C[C@@H](CCC#N)CNc1ccc(CN(C)C)c(Cl)c1 602637889 ILLKIJSWJGVOQU-LBPRGKRZSA-N 279.815 3.753 30 20 CHED N#Cc1ccccc1SCCc1ccc2c(c1)CCO2 439701142 INWGFPNFUSFVGF-UHFFFAOYSA-N 281.380 3.828 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CC[C@H](C)CC 342366080 HZKCWWYVBPRVBL-CQSZACIVSA-N 293.407 3.503 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ccc(C)s1 521321995 SGBJASOORFPUEY-GFCCVEGCSA-N 265.422 3.850 30 20 CHED C=C(C)C[C@H](C)C(=O)N(C)Cc1ccc(F)c(C)c1 436065572 MAARFPARFJNWJD-ZDUSSCGKSA-N 263.356 3.695 30 20 CHED C[C@@H](CNCC(C)(C)CCC#N)c1ccc(F)cc1 344186220 DBTQGIXAKFXJFN-ZDUSSCGKSA-N 262.372 3.849 30 20 CHED C=CCn1c(C)cc(C(=O)CN(C)[C@@H](C)C2(C)CC2)c1C 437516627 OYAWEKPRPMLSNX-HNNXBMFYSA-N 288.435 3.594 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H]1CCC[C@H](C)C1 347295771 CHKPUUPYSBNMPP-XJKSGUPXSA-N 272.392 3.577 30 20 CHED Cc1ccc(C#N)c(NC[C@@H](C)c2ccc(F)cc2)n1 346840513 RXGFPCHOLCPTHI-LLVKDONJSA-N 269.323 3.616 30 20 CHED COCCC1(CNc2cc(C)nc(C#N)c2)CCCCC1 343022341 FKIXALSIYQVULI-UHFFFAOYSA-N 287.407 3.661 30 20 CHED C=CCNC(=O)N1Cc2ccccc2-c2ccccc2C1 522345738 NUHVQOYWERRLJC-UHFFFAOYSA-N 278.355 3.565 30 20 CHED Cc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1C 348142911 ZOIPOVKLZRCPTQ-UHFFFAOYSA-N 273.380 3.755 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@@H]1CCCC[C@H]1C 522633829 ZDCRMRQDHZYZKE-OCCSQVGLSA-N 286.375 3.722 30 20 CHED Cc1cscc1-c1noc(-c2cc(C#N)oc2C)n1 347132627 GCBGOVWFVUWJMG-UHFFFAOYSA-N 271.301 3.547 30 20 CHED N#Cc1cc(Cl)ccc1NCCN1Cc2ccccc2C1 609149942 XHQKTAUFLJDOKI-UHFFFAOYSA-N 297.789 3.639 30 20 CHED COc1cccc2c(CN(C)CC(C)(C)C#N)cccc12 449338475 GTGVPCCXUXUBEN-UHFFFAOYSA-N 282.387 3.830 30 20 CHED CC(C)[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 444003259 RNSGOFNZYBYJOJ-LBPRGKRZSA-N 297.324 3.844 30 20 CHED C=CCN(C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1)C1CC1 347908692 HJAHISSTCNTOHZ-BMFZPTHFSA-N 279.424 3.537 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CCCC1(C)C 602678009 ZIVGGCGQHVNRHO-LSDHHAIUSA-N 278.440 3.501 30 20 CHED N#C[C@@H]1CCC[C@H](NCCOc2ccc(Cl)c(F)c2)C1 449485229 LJLYOXNHDPAVDO-NEPJUHHUSA-N 296.773 3.530 30 20 CHED CCOc1cccc(C=Nc2cccc(OC)c2)c1O 254616957 XSOHLGXOGREWJY-UHFFFAOYSA-N 271.316 3.550 30 20 CHED C=CCCCC[C@H](C)NC[C@H]1CCN(CC(F)(F)F)C1 449090142 LZDGLDZPOXOFHL-UONOGXRCSA-N 292.389 3.595 30 20 CHED Cc1ccccc1CCN(C)Cc1cc(C#N)cs1 449380429 MZRRHRSPTNKFLN-UHFFFAOYSA-N 270.401 3.603 30 20 CHED COc1cccc2c(CN[C@@H]3CCC[C@@H]3C#N)cccc12 449240799 OXZFWQHXQQWOGY-CXAGYDPISA-N 280.371 3.630 30 20 CHED CN(CC1CCCC1)C(=O)C[C@@H](CC#N)c1ccccc1 355374873 CPSFCRZNBDEVCO-QGZVFWFLSA-N 284.403 3.723 30 20 CHED C=CCCCCCN(C)C(=O)Cc1cccc(F)c1F 446044806 GDEGNXBUCPJVMF-UHFFFAOYSA-N 281.346 3.712 30 20 CHED CC[C@@H](C)CN(C)Cc1ccccc1C(C)(C)C#N 532623820 AVYZXJWBZAWJRY-CQSZACIVSA-N 258.409 3.966 30 20 CHED C=CCOc1ccc(OCc2cccc(C#N)c2)cc1 539943776 SSHFTGNYKPANES-UHFFFAOYSA-N 265.312 3.702 30 20 CHED CN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCC(C)(C)C1 353578789 SJCSTSRHQOTSDM-ZDUSSCGKSA-N 289.354 3.740 30 20 CHED C=CCN(C(=O)Cc1ccc(OC)cc1F)c1ccccc1 445562420 CNHSDQMZJVSGGA-UHFFFAOYSA-N 299.345 3.596 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1cccc(C#N)c1 610717493 KHXVBOMGSKMIME-ZDUSSCGKSA-N 268.360 3.504 30 20 CHED C=CCCC1(C(=O)N(C)Cc2cccc(F)c2)CC1 353517814 VURFPPUMKJMJEM-UHFFFAOYSA-N 261.340 3.531 30 20 CHED Cc1ccncc1CN(Cc1ccc(C#N)cc1)CC(C)C 353449934 OOCQGJZSIAVCJF-UHFFFAOYSA-N 293.414 3.920 30 20 CHED COc1ccc(OCc2cn3ccccc3c2C#N)cc1F 356889709 CEPYZLRRLPOPSE-UHFFFAOYSA-N 296.301 3.538 30 20 CHED CCC1(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CCCC1 610761492 YENMLVNDABAXNK-AWEZNQCLSA-N 299.418 3.889 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 358290214 DPFHKKZHWPIVIT-NXEZZACHSA-N 271.307 3.522 30 20 CHED C=CCCC1(C(=O)N(CC)Cc2ccc(OC)cc2)CC1 354293476 KLBKTPBXAZJTEB-UHFFFAOYSA-N 287.403 3.790 30 20 CHED Cc1c(C(=O)N2CCC[C@@](C)(C#N)C2)oc2ccccc12 612242339 NKLJBRMEGUFHLY-KRWDZBQOSA-N 282.343 3.507 30 20 CHED Cc1cc(CSCC(=O)Nc2ccccc2)ccc1C#N 443407861 FVMUUEPBVHGNRL-UHFFFAOYSA-N 296.395 3.739 30 20 CHED N#Cc1cccc(C2(NCc3cccc(Cl)c3)CC2)c1 610972007 FENARFCYEBGJEP-UHFFFAOYSA-N 282.774 3.991 30 20 CHED C=C(CC)CNc1ccccc1C(=O)N1CCCCC1 358655065 LWSGLMMZJJFJIG-UHFFFAOYSA-N 272.392 3.691 30 20 CHED COc1ccc(CN[C@@H]2CCc3cc(C)ccc32)cc1C#N 266229180 SZPWZSHFCHHOGS-GOSISDBHSA-N 292.382 3.652 30 20 CHED CC1(C)CCCN(C(=O)C[C@@H]2CCc3ccccc32)[C@H]1C#N 617987525 APHHNMAXVVHQGC-RDJZCZTQSA-N 296.414 3.647 30 20 CHED C=CCC[C@@H](Nc1ccc2c(c1)ncn2C)C1CC1 538637388 YKLQIDMJDVHLAJ-CQSZACIVSA-N 255.365 3.730 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(OC)c2)C1 617786046 SPQFUODETNWMQB-LSDHHAIUSA-N 287.403 3.613 30 20 CHED CCC1CCC(N(C)C(=O)NCC(C)(C)CC#N)CC1 459264488 ZFIOOYDJEUBZEZ-UHFFFAOYSA-N 279.428 3.536 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OCC)cc1C 454525741 BRCGNJRYFHFIGR-UHFFFAOYSA-N 276.380 3.727 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1Cc1ccc(F)c(C#N)c1 610719850 YQSKJJHFOPKPER-LBPRGKRZSA-N 298.336 3.956 30 20 CHED C[C@@H](CCC#N)CNc1ccc(Cl)c(C[S@@](C)=O)c1 619242553 FAHCLWWPTYDTCW-JEOXALJRSA-N 298.839 3.570 30 20 CHED COC1CCC(N(C)CC#Cc2ccc(Cl)cc2)CC1 267341815 CKVOSYYSWQLVNF-UHFFFAOYSA-N 291.822 3.581 30 20 CHED CC(C)[C@H]1N(C(=O)C2(C#N)CCCC2)CC12CCCCC2 458201971 WVEMQANIJBTOIJ-OAHLLOKOSA-N 288.435 3.888 30 20 CHED C=C(C)CN(CC)C(=O)c1ncsc1-c1ccccc1 275391034 CONWJAVTQYOYAM-UHFFFAOYSA-N 286.400 3.848 30 20 CHED Cc1c(C#N)c(SCCCOC(C)C)nc2c1CCC2 610167373 KRXUDYPDYSOVQO-UHFFFAOYSA-N 290.432 3.658 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(NCCC)cc1 545464725 IJIUREIPUQMQAH-OAHLLOKOSA-N 289.423 3.662 30 20 CHED C=CCOCCN1CCc2cc(Cl)cc(Cl)c2C1 549866480 ZCUGSBIARMWHIA-UHFFFAOYSA-N 286.202 3.554 30 20 CHED N#CC1(c2nc([C@@H]3CCCc4ccccc43)no2)CCCC1 273784233 STUHJVYIUNSGQW-OAHLLOKOSA-N 293.370 3.873 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1ccc(F)c(Cl)c1 540532036 MWRMFBRPIFUDRM-LLVKDONJSA-N 299.773 3.719 30 20 CHED C[C@@H](NCCCOC1CCCC1)c1ccc(C#N)c(F)c1 271921748 DWPQJWGGZJZNMG-CYBMUJFWSA-N 290.382 3.697 30 20 CHED C=CC(C)(C)CNC(=O)C1(c2cccc(F)c2)CCC1 452773583 IWYFDOWSMZJLPI-UHFFFAOYSA-N 275.367 3.576 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](COC)C(C)C)c1ccccc1 548289537 DKDILOLBSKWRLF-IAGOWNOFSA-N 289.419 3.524 30 20 CHED C[C@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 277983800 QTXSNGXXYLLTJR-GDBMZVCRSA-N 284.403 3.721 30 20 CHED CC(C)(C#N)CCSCc1cccc([N+](=O)[O-])c1 276631368 QEWXZCPIIONACA-UHFFFAOYSA-N 264.350 3.768 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1cccs1)C(C)C 458983507 DMJRQNVVHSZQDM-UHFFFAOYSA-N 280.437 3.880 30 20 CHED O=C1/C(=C\c2cccs2)CCc2cc(O)ccc21 207933037 GREPVYRCRFOVQU-LUAWRHEFSA-N 256.326 3.666 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1CCCSCC#N 451964661 BSNVCEODNWRMNV-INIZCTEOSA-N 292.423 3.918 30 20 CHED C=CCC[C@H](CO)N[C@@H](CC)c1ccc(Cl)s1 453357643 NKFCQVLJGHBBKD-MNOVXSKESA-N 273.829 3.769 30 20 CHED C=CCC[C@@H](C(=O)NCCCCCOC)c1ccccc1 274993776 ISHIPGWOFLFMFQ-QGZVFWFLSA-N 289.419 3.669 30 20 CHED N#Cc1ccc2nc(N3C[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3)ccc2c1 549220543 KVQFPOPASUEQJY-XJNFMUPTSA-N 289.382 3.589 30 20 CHED CC[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)C(C)(C)C 455800277 YMXATALAWYNTQG-GFCCVEGCSA-N 294.786 3.553 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@@H](OC)c1ccc(OC)cc1 542705941 LUBTXOWYAFEYOG-GRDNDAEWSA-N 277.408 3.716 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)CC(C)(C)C#N 279378816 XQVONRQHOGLONB-OAHLLOKOSA-N 270.376 3.598 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C 466729528 VINXYWBBBHKWSE-ZMSDIMECSA-N 286.419 3.929 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 281185223 ZDUUHEQZSMHKIC-DRZSPHRISA-N 279.330 3.539 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1CCC 462148959 OYLKHUPEBZFGFS-ZIAGYGMSSA-N 285.391 3.755 30 20 CHED CC(C)C1(C)CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 462489374 JWZJPXVPROICNV-OAHLLOKOSA-N 298.430 3.946 30 20 CHED N#Cc1ccccc1CN1CCC[C@H](c2ccccc2)C1 552061508 NYIBTCJQIOQJPE-SFHVURJKSA-N 276.383 3.938 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 465179659 QTFGRTAINLDIEK-HZMBPMFUSA-N 291.782 3.912 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)c2cc(Cl)ccc2O1 464771285 CSZQQFFYKVJRJI-LBPRGKRZSA-N 298.773 3.999 30 20 CHED C[C@@H]1CCC[C@@H](CCNC(=O)[C@H](C)c2cccc(C#N)c2)C1 462086107 WDEYBIVRTGXRIK-OAGGEKHMSA-N 298.430 3.994 30 20 CHED Cc1ccc([C@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 461906549 ZCDHMKGOZSMSIB-GJZGRUSLSA-N 292.382 3.848 30 20 CHED C=C[C@@H](C)NC(=O)c1sc(-c2ccccc2)cc1OC 465148276 HLGKBMSPEZBAGS-LLVKDONJSA-N 287.384 3.728 30 20 CHED C=CCOCCCN1CCCC[C@@H]1c1ccc(F)cc1 470760683 RPJVZHPDARTYNR-QGZVFWFLSA-N 277.383 3.945 30 20 CHED CC[C@@H](C)CCC(=O)[C@@H](C#N)c1cnc2ccccc2n1 802814074 UDBPEVCCPHXQOO-OLZOCXBDSA-N 281.359 3.632 30 20 CHED C=CCCCCCCCCNC(=O)c1oc(C)nc1C 807844256 HNWQGLDKVYXVRR-UHFFFAOYSA-N 278.396 3.938 30 20 CHED C=CCC1(c2nc([C@@H](C)SCC)no2)CCC1 290043038 JBJUHKBJYZKGTP-SNVBAGLBSA-N 252.383 3.882 30 20 CHED CC(=NN[C@H]1CCSC1)c1ccc(C(C)C)cc1 808003628 RJLRVWPSJZPANF-HNNXBMFYSA-N 262.422 3.629 30 20 CHED CC1(C)CN(c2ccc(Cl)c(C#N)n2)[C@H]1c1cccnc1 291987220 XQCQVOMYQWRWOB-HNNXBMFYSA-N 298.777 3.589 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)C1CCC1 562984080 ZMVJNGDDHYYSQW-LLVKDONJSA-N 283.375 3.507 30 20 CHED C=CCCCCNC(=O)CCSc1ccc(F)cc1 471669157 OIQKSVRPIXIVSD-UHFFFAOYSA-N 281.396 3.780 30 20 CHED Oc1ccc(Cl)cc1/C=N/[C@H]1CCCC12CCOCC2 800722158 XGNXNAPHXGWYPB-LZNAANCOSA-N 293.794 3.814 30 20 CHED N#C[C@@H](OC(=O)Cc1coc2ccccc12)C1CCCCC1 802800166 LPQDEQMQQDNKPS-QGZVFWFLSA-N 297.354 3.991 30 20 CHED N#CCCC1CCN([C@H]2CCc3ccc(F)cc32)CC1 563069865 ZOYBRLGHAOGURN-KRWDZBQOSA-N 272.367 3.829 30 20 CHED N#CCCCC(=O)Nc1nc(-c2cccs2)cs1 291001066 SWGDMVKXNJDTKI-UHFFFAOYSA-N 277.374 3.504 30 20 CHED C#CCCCc1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 809296556 BFSSRZSMHFVDCE-UHFFFAOYSA-N 298.239 3.850 30 20 CHED C=C(C)Cn1c(C)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 292745410 AJZXPTVRTSNTJC-PBHICJAKSA-N 296.418 3.545 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)CCc1ccccc1 802749918 RPDNWPMHLLMSNC-KBPBESRZSA-N 263.406 3.670 30 20 CHED C=CCn1c(C)nnc1N(CC)C[C@@H](CC)c1ccccc1 565627648 WGKOVSCSXMEDKZ-MRXNPFEDSA-N 298.434 3.793 30 20 CHED Cc1c(COc2ccccc2)cccc1NC(=O)[C@H](C)C#N 472380953 LBNJZRGRMLLGEG-CYBMUJFWSA-N 294.354 3.672 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C\c2cn(C(C)C)nn2)c1 806574813 XRLVFLFXULWXOG-HJWRWDBZSA-N 297.402 3.954 30 20 CHED CC(C)(CNc1cccc(C#N)n1)c1cccc(Cl)c1 567427018 WXEIKCVFMZWNRC-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C=CCCCNC(=O)C1(c2ccccc2Cl)CCC1 649976562 FASCLWMTLNVFHA-UHFFFAOYSA-N 277.795 3.844 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C=C\c2ccsc2)cc1 809258587 YKUUVROIWCSPNG-KQQSKNTNSA-N 296.395 3.705 30 20 CHED COc1ccc(/C=C\C(=O)c2ccco2)c(C)c1OC 806573735 QXRCLVKHAPJVEW-VURMDHGXSA-N 272.300 3.501 30 20 CHED Cc1nsc(N2CCC[C@H](C(C)C)CC2)c1C#N 562865230 SHZOMGHPEOIRAH-LBPRGKRZSA-N 263.410 3.586 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@H](C#N)C1 819632088 OPYXYGOQTUOKST-SOUVJXGZSA-N 264.413 3.791 30 20 CHED CCC(CC)(CNc1ncc(Cl)c(C)c1C#N)OC 488749863 FOEFYPSYUGAATM-UHFFFAOYSA-N 281.787 3.532 30 20 CHED S=C(NN=C1CC(c2ccccc2)C1)Nc1ccccc1 814713462 AYUAIJAYVBMUGV-UHFFFAOYSA-N 295.411 3.907 30 20 CHED CCC[C@@H](C=NNc1cc(Cl)nc(Cl)c1)OC 819828560 IHLGYCKMOOMUEW-VIFPVBQESA-N 276.167 3.601 30 20 CHED CC(C)OC1CC(=NNc2cc(Cl)nc(Cl)c2)C1 819828507 GDUHEKJQAGQZIU-UHFFFAOYSA-N 288.178 3.744 30 20 CHED CC(C)c1cnc(C=NNc2cccc(Cl)n2)s1 814938988 AFKGKMYKJHFGQY-UHFFFAOYSA-N 280.784 3.761 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(Cl)o1 814905004 JWJZILXMVWWWIY-UHFFFAOYSA-N 252.676 3.827 30 20 CHED O=C(O)c1ccc(NN=CCC2CCCCC2)cc1 814680996 RQVUAUHFCCKISG-UHFFFAOYSA-N 260.337 3.753 30 20 CHED C=CCN(C(=O)c1cccc(C(C)(C)C)c1)C1CC1 653733439 OJGHIGNQCFEZSD-UHFFFAOYSA-N 257.377 3.775 30 20 CHED CC(C)(C)CCCCNC(=O)c1ccc(C#N)s1 487281443 SNQPDBIPDSZMNL-UHFFFAOYSA-N 264.394 3.566 30 20 CHED N#Cc1csc(/C=C2\Oc3cccc(Cl)c3C2=O)c1 811698232 PWOAYMIRFCZNCZ-XGICHPGQSA-N 287.727 3.889 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](F)C2)c(Cl)c1 573321731 ZCXAEDZKNYQTMA-MNOVXSKESA-N 295.745 3.614 30 20 CHED Brc1cccc2c1CC(=NOC1CCC1)CC2 814936275 IBSMEFRNXBBDBI-UHFFFAOYSA-N 294.192 3.863 30 20 CHED CC(=NN[C@H](C)c1ccncc1)[C@@H](C)c1ccccc1 819816206 HCPWIRDCTCZHHB-UKRRQHHQSA-N 267.376 3.912 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](CC)OC1CCCCC1 489768741 NSYDVMUKTXXIDM-HNNXBMFYSA-N 281.440 3.833 30 20 CHED C=CCOCCN1C[C@@H](C)CC[C@@H]1c1ccccc1OC 573985241 OMSFOPXDRGMWBE-DOTOQJQBSA-N 289.419 3.671 30 20 CHED CSc1ccc(C=NNc2ccccc2C(=O)O)s1 814768618 FOLJDJYGEFDSIE-UHFFFAOYSA-N 292.385 3.614 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1oc2ccc(OC)cc2c1C 573870239 IBSNSEFVYAAOBF-CYBMUJFWSA-N 299.370 3.931 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)[C@H](C)C1CCCCC1 480341550 JEJQQPGHCKEQBY-KBPBESRZSA-N 273.424 3.591 30 20 CHED Cc1cc(F)cc2c1N(Cc1cccc(C#N)c1)CCC2 572128702 GPSAZPMQQMBREY-UHFFFAOYSA-N 280.346 3.959 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 579413546 SBSSTUZDOFXIQT-OBQMCUGOSA-N 268.404 3.960 30 20 CHED C#C[C@H](CCC)NC(=O)NCc1ccc2sccc2c1 811910227 YFJOVMRQMZXGSN-CQSZACIVSA-N 286.400 3.502 30 20 CHED N#CCCCC(=O)NC(C1CCCC1)C1CCCC1 812513204 OLCZLTMXXJYWJO-UHFFFAOYSA-N 262.397 3.545 30 20 CHED C=CCCCCCCCNC(=O)Nc1ccn(CC)n1 824957188 OPPMOYJRSMKVBY-UHFFFAOYSA-N 278.400 3.551 30 20 CHED C=C(C)COc1cccc(NC(=S)NCCCC)c1 727283466 NMHUTJBEHGQISP-UHFFFAOYSA-N 278.421 3.728 30 20 CHED Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc(F)cc1 726876229 LCGKQNFLCAODEH-VOTSOKGWSA-N 299.132 3.762 30 20 CHED C=CCN(C(=O)c1c(Cl)c2ccccc2n1C)C(C)C 728083528 APRGKPMMRBZCGF-UHFFFAOYSA-N 290.794 3.868 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(C)c(C)c1O 728155120 BVIMVTAMXDJVRY-UHFFFAOYSA-N 298.342 3.543 30 20 CHED C[C@@H]1C[C@H]1[C@@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 579667575 PGOXMZIOCBTPJM-HQQWDMGQSA-N 298.777 3.811 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@]2(C)CC2(Cl)Cl)n1 828790984 NYJLPWZIJJYECP-GFCCVEGCSA-N 284.190 3.566 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N2CCC(CCC#N)CC2)cc1 570517599 KBRHVBVABSLAOX-INIZCTEOSA-N 298.430 3.716 30 20 CHED CC(CSC(C)(C)C)=NNC(=S)Nc1ccccc1 729632619 DWYWDVFYMINTDW-UHFFFAOYSA-N 295.477 3.881 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1ccc(OCC#N)cc1 729267555 XJYILHUJBVPAPK-ZDUSSCGKSA-N 298.411 3.770 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)C(=O)c1ccccc1 584236831 ZYSVIWSVBQMRPX-UHFFFAOYSA-N 285.387 3.533 30 20 CHED CS[C@H]1CCCC(=NNc2nccnc2C(C)C)C1 901232438 ZWUZMMKMUNZLQI-LBPRGKRZSA-N 278.425 3.674 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(OC)cc2C)C1 665952411 PJEUSXWQDVRSPL-AWEZNQCLSA-N 288.391 3.824 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccccc2CC)no1 904541190 YILMXMKOHWJOLY-AWEZNQCLSA-N 271.364 3.655 30 20 CHED Fc1cc(F)c(NN=Cc2csc(C3CC3)n2)cc1F 734302806 PMVJOQOJQGWWAG-UHFFFAOYSA-N 297.305 3.884 30 20 CHED CCOc1ccc(/C=N/C[C@H]2CCc3ccccc32)c(O)c1 731937648 LSFYSZIUKCBOCN-OOWUWCJESA-N 295.382 3.940 30 20 CHED C#CCCOc1ccc(CNC[C@@H](C)C(C)(C)C)cc1 734510771 ZMERQTIKPRVXCQ-OAHLLOKOSA-N 273.420 3.861 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 821007335 GUCIVJDYJRBYDP-VMPITWQZSA-N 296.257 3.502 30 20 CHED CC(C)[C@H](C)C(=O)N(O)Cc1cccc2ccccc12 901369765 HCVCSLTWCNOVIP-ZDUSSCGKSA-N 271.360 3.850 30 20 CHED C#CCOc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 587564903 YYDGLMUMSGBVLT-UHFFFAOYSA-N 284.265 3.520 30 20 CHED C=C(Cl)CNC(=O)/C=C(\C)c1ccccc1Cl 736242192 KKXDCJLDFFDVEC-VQHVLOKHSA-N 270.159 3.612 30 20 CHED C[C@@H]1/C(=C/c2cccc(OC(C)(C)C)c2)C(=O)c2nccn21 901565728 NKJOBOGZEHNGGA-QJMZJAKPSA-N 296.370 3.901 30 20 CHED C=C(C)CN(C)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 497686165 INWAWGFNMRNPLF-UHFFFAOYSA-N 299.418 3.811 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)CCCCCC#N)CC1 588164875 WLBAEEPXJHVSJK-ZIAGYGMSSA-N 250.386 3.545 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)OCCCCC#N 733867394 ZZEATUVOMDSMPB-CQSZACIVSA-N 277.389 3.794 30 20 CHED CCC(=NN[C@H](C)c1ccccc1)c1ccncc1 834944556 SRMXETJTVCMEJY-CYBMUJFWSA-N 253.349 3.547 30 20 CHED CCC(=NNc1nccnc1Cl)C1CCCCC1 733077232 NOBUGWGUTGJZQL-UHFFFAOYSA-N 266.776 3.888 30 20 CHED Cc1cc(C=NNc2c(F)cccc2F)cc(C)c1O 735615002 HNDWCZOMRHVLBO-UHFFFAOYSA-N 276.286 3.733 30 20 CHED C=CCC1(C(=O)OCc2cncc(C)c2)CCCC1 838284595 MVGYYAMKVAIXSM-UHFFFAOYSA-N 259.349 3.570 30 20 CHED Cc1nc(NC[C@@H](C)c2ccncc2)c(Cl)cc1C#N 589688885 WTMDYGOUAKMCDL-SNVBAGLBSA-N 286.766 3.526 30 20 CHED CC[C@@H](N[C@@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 902888943 YRGMYLYEUJIMFL-HZPDHXFCSA-N 272.392 3.557 30 20 CHED Cc1ccc(C(=O)N(O)Cc2cccc3ccccc23)o1 900091663 GXUYGKSBZZXXNI-UHFFFAOYSA-N 281.311 3.773 30 20 CHED CCc1ccc(C=NN[C@@H](C)c2ccccc2)s1 731150913 GGHFIHYPZSESGC-LBPRGKRZSA-N 258.390 3.995 30 20 CHED Cc1cc2sc(C(=O)NC[C@@H](C)C#N)c(C)c2cc1C 582280614 FGQLSWVFKZORPM-VIFPVBQESA-N 286.400 3.716 30 20 CHED C=CC(C)(C)CNC(=O)c1ccccc1SCC 583853879 QBWNWFJGHSXUMP-UHFFFAOYSA-N 263.406 3.741 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)[C@H](C#N)c2ccccn2)C1(C)C 838785840 XMQUXCGWEQMPOO-AHIWAGSCSA-N 270.376 3.720 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc(C(=O)O)cc2)o1 732762520 IKFIANMZAWQGPG-YGRLFVJLSA-N 284.315 3.547 30 20 CHED C=CCCC(=O)Nc1cccc(-c2n[nH]c3c2CCCC3)c1 588085706 VQSFKJHAWOFKNM-UHFFFAOYSA-N 295.386 3.860 30 20 CHED C=CCC[C@@H](CCC)NCC1(CO)CCCCC1 678596199 RZNNVNFIHKUYPT-OAHLLOKOSA-N 253.430 3.654 30 20 CHED C#CCCCOC(=O)/C=C\c1cc(C)c(C)cc1C 919665640 NLOXCYTYRUCUGH-HJWRWDBZSA-N 256.345 3.582 30 20 CHED Clc1ccc(NN=Cc2ccc(-c3ccccc3)o2)nn1 917533663 ACPNQVBPYBPBJZ-UHFFFAOYSA-N 298.733 3.836 30 20 CHED CC[C@H](C#N)C(=O)N1Cc2ccccc2-c2ccccc2C1 593447134 SLJIBIFKMWLUCB-CQSZACIVSA-N 290.366 3.746 30 20 CHED N#CCOc1ccc(CN2CCC(C3CCCC3)CC2)cc1 743856972 QHOYAWRKWPEMHL-UHFFFAOYSA-N 298.430 3.991 30 20 CHED CCc1ccccc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593943819 PBSLJFLJYSLRJC-CQSZACIVSA-N 292.382 3.938 30 20 CHED C[C@@H]1CCC[C@@H](CNc2snc(Cl)c2C#N)C1 919802339 LXLZKIKIKVZOQB-RKDXNWHRSA-N 269.801 3.906 30 20 CHED Cc1ccccc1C1(N[C@H]2CCC[C@H](C#N)C2)CC1 592391765 IZXSPDISHDEFNA-GJZGRUSLSA-N 254.377 3.656 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([C@H]2CCCCO2)C1 595788314 IXJUEDXOFNKTMB-ATZDWAIDSA-N 298.430 3.900 30 20 CHED CCCC[C@@H](C(=O)N[C@H](C#N)CC(C)C)C(C)C 598826929 YKOBGACSNKJYSD-UONOGXRCSA-N 252.402 3.503 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 674957058 QVOWHGFWXIEDFF-DTWKUNHWSA-N 272.175 3.788 30 20 CHED Cc1nc(Cl)cc(NN=C2CCc3cccc(C)c32)n1 841627107 YXLLJLQQEFMNSS-UHFFFAOYSA-N 286.766 3.509 30 20 CHED CC#CCOC(=O)[C@H](SCc1ccccc1)C(C)C 744935793 MYTHPQAGNUUQHA-OAHLLOKOSA-N 276.401 3.511 30 20 CHED C#CC[C@H](NC(=O)/C=C/C1CCCC1)c1ccccc1 843572667 XBLIIYVZCXAGEN-CLVCIHKQSA-N 267.372 3.614 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C=C\c1ccc(C(C)(C)C)cc1 847167255 IBVUMGPVCYUPJV-CKDIWJPDSA-N 284.403 3.758 30 20 CHED C#CCCOc1ccc(CNCc2c(C)cccc2F)cc1 742380601 OVARZYIPXKGZGE-UHFFFAOYSA-N 297.373 3.826 30 20 CHED CC(=NNc1ccccn1)[C@@H]1C[C@H]1c1cccs1 841608691 GZZSWSRCYBMIEI-NWDGAFQWSA-N 257.362 3.735 30 20 CHED Cc1cc(C#N)ccc1N[C@H]1CCO[C@H](CC(C)C)C1 846751877 OZBLINILLOKEJU-JKSUJKDBSA-N 272.392 3.872 30 20 CHED Cc1cc(CN(C)CC(C)(C)C#N)c(O)c(C(C)(C)C)c1 840075340 ZQULELKNAGUQIT-UHFFFAOYSA-N 288.435 3.980 30 20 CHED Cc1ccc(C#N)nc1NC[C@@H]1CCCO[C@@H]1C(C)(C)C 596130121 MIMHEKPRSSFQOL-ZFWWWQNUSA-N 287.407 3.515 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)CCC1CCCCCC1 593986942 ARBYIGXXRQKDQL-CQSZACIVSA-N 264.413 3.791 30 20 CHED C#CCCCNC(=N)Nc1ccc([C@H](C)CC)cc1 849010987 HYEVOTAVICWTEV-CYBMUJFWSA-N 257.381 3.550 30 20 CHED C[C@H](C#N)CNN=C1CC[C@H](c2cccc(Cl)c2)C1 841630952 BKNPIYZSFIOJRE-YPMHNXCESA-N 275.783 3.713 30 20 CHED CCCC(CCc1ccccc1)=NNc1cnccn1 740761093 VPFFQHGAJRMRAH-UHFFFAOYSA-N 268.364 3.677 30 20 CHED C[C@@H]1/C(=C\c2ccc(C#N)s2)C(=O)c2c(O)ccc(F)c21 749000236 WINYELZVBHBHAJ-JMUHATKESA-N 299.326 3.848 30 20 CHED CC[C@@H](CC(F)F)CN(CCC#N)CCC(C)C 595346717 KSYGKOHJDPVMHD-ZDUSSCGKSA-N 260.372 3.930 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1CCCSC1 685844843 NSCGUJMYYLCZRE-CQSZACIVSA-N 275.417 3.887 30 20 CHED Cc1cc(C)cc(CC(=O)N[C@H](C)c2cccc(C#N)c2)c1 597325212 IONJUTPIFGLGOJ-OAHLLOKOSA-N 292.382 3.595 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](C)c1cc2ccccc2s1 845621338 FSBQVBPWLNCXFE-WDEREUQCSA-N 290.388 3.768 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)CCCCCC 743684313 UVWWWGBMSGVDAH-UHFFFAOYSA-N 275.367 3.758 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C/C=C/c2ccccc2)o1 746498402 NVYOGCPPZHYCMC-XNFARFMYSA-N 294.358 3.955 30 20 CHED COc1cccc(C2(N[C@H]3CCC[C@@H](C#N)C3)CCC2)c1 595093932 PUWNFILJJFRDHH-ZBFHGGJFSA-N 284.403 3.746 30 20 CHED CCN(C(=O)/C=C\c1cccc(F)c1)c1ccc(C#N)cc1 742223129 OKQRSVLQBTWYMR-FLIBITNWSA-N 294.329 3.764 30 20 CHED C[C@H]1CN(c2cccc(F)c2C#N)Cc2ccccc21 742834534 YYTCHUKHAGTTIP-LBPRGKRZSA-N 266.319 3.821 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2c(C3CC3)cnn2C)c1 849243526 UUWIBAOYYCVHNU-HJWRWDBZSA-N 280.371 3.810 30 20 CHED CCOc1cccc(C(C)=NNc2ccc(Cl)nc2)c1 743450490 SDSIROJCKZRSII-UHFFFAOYSA-N 289.766 3.970 30 20 CHED C=C(C)CONC(=O)N(C)[C@H](C)c1ccc(C)cc1C 845592617 FTMOMNWRYIEFMX-CQSZACIVSA-N 276.380 3.514 30 20 CHED Cc1ccc(-c2ccc(N3CCCC3)nc2)cc1CC#N 592987114 PJVVMJOBXNOVCW-UHFFFAOYSA-N 277.371 3.723 30 20 CHED CC(C)c1ccccc1/C=C1/CCc2nn(C)cc2C1=O 848641587 INVULQQDCUKJTM-UVTDQMKNSA-N 280.371 3.756 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc(CN2CCCC2)c1 924605489 GRMDGCTUZDBLLK-INIZCTEOSA-N 299.462 3.700 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2C(C)C)cnn1C 848639919 GCQBBCJPTQPSSZ-MDZDMXLPSA-N 268.360 3.748 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1 755328511 KJPNYPMWFXIDJV-GPCCPHFNSA-N 293.313 3.818 30 20 CHED C[C@@H](CCc1ccccc1)OC(=O)c1ccc(CC#N)cc1 758676875 AIGMMEQEIMHHSY-HNNXBMFYSA-N 293.366 3.931 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1cccnc1Cl)O2 759116699 FABADIUTQRWUAR-RIYZIHGNSA-N 285.730 3.968 30 20 CHED C#CCCCC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 758257743 RLLFCXWTFZHTGC-UHFFFAOYSA-N 297.320 3.860 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cn1ccc2ccccc21 851212815 WJXAABRIEBXQLG-CYBMUJFWSA-N 284.359 3.513 30 20 CHED CCCCc1oc2ccccc2c1C=NNC1CC1 758127147 LZZXCCSOLRKBKR-UHFFFAOYSA-N 256.349 3.861 30 20 CHED CC(C)n1ccnc1C=NNc1ccc(C(F)(F)F)cc1 853322734 ALDIVLGTUMGWHA-UHFFFAOYSA-N 296.296 3.929 30 20 CHED Cc1cccc(C(=O)O[C@H](C)CC(C)(C)C#N)c1F 851209459 LEIZAIKBIYRBIN-LLVKDONJSA-N 263.312 3.619 30 20 CHED N#C[C@H](C(=O)CCCF)c1nc2cc(Cl)ccc2s1 850771711 WUNFCJZEDXFLJW-SECBINFHSA-N 296.754 3.876 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccc(O)c(F)c1 759085767 YBCYMDTYGQHKLN-ARJAWSKDSA-N 283.711 3.537 30 20 CHED CCCc1nc(C)c(C(=O)O[C@@H](C)CC(C)(C)C#N)s1 851211474 IGWWGRXDLIEQJN-JTQLQIEISA-N 294.420 3.889 30 20 CHED C#CCCCC(=O)N1CCC[C@H](C2CCCCC2)C1 856303678 HSZJPZQOLPPVBG-INIZCTEOSA-N 261.409 3.609 30 20 CHED C[C@@H](NN=Cc1cc(F)cc(F)c1)c1ccccc1 755664049 GLIJBEIURKTINL-LLVKDONJSA-N 260.287 3.650 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCc1ccsc1 851214657 USGGQRBCTPHCCX-LLVKDONJSA-N 265.378 3.552 30 20 CHED C=CCC[C@@H](C(=O)N=S1(=O)CCCC1)c1ccccc1 925910078 QGJLYQSBESCTDC-OAHLLOKOSA-N 291.416 3.525 30 20 CHED COc1cccc2cc(C=NN3CCCC[C@H]3C)oc12 853378543 FYXCNIUXVSPELJ-GFCCVEGCSA-N 272.348 3.650 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc(CN2CCCC2=O)c1 925749398 WYVHUXQMUIFREB-CQSZACIVSA-N 299.418 3.549 30 20 CHED COc1cc(F)cc(NN=C/C=C\c2ccco2)c1 759212228 BKGUVRDAXCMRCB-CSXSVAPJSA-N 260.268 3.538 30 20 CHED COCc1ccc(/C=C2\CCCC(C)(C)C2=O)cc1 757533699 IAUGADFQSHONLR-RVDMUPIBSA-N 258.361 3.996 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1ccc(C)c(C)c1)OCC 755607053 QJLOEVGVQFIJJX-INIZCTEOSA-N 275.392 3.638 30 20 CHED CC[C@H](NCc1cscc1C)c1cccc(C#N)c1O 926302974 KUUBYADCBMKQRH-HNNXBMFYSA-N 286.400 3.875 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)Cc1c(C)noc1C 851140991 DZEBKQBQGWADLH-HIFRSBDPSA-N 277.364 3.512 30 20 CHED Cc1cnc(F)cc1-c1cccc(C2(C#N)CC2)c1 854188547 DFNYCGGYWKPYAP-UHFFFAOYSA-N 252.292 3.751 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(C#N)cc1 920376829 VDAKXLNBNJHEDC-UHFFFAOYSA-N 271.270 3.673 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)Cc2c(F)cccc21 921265850 DGMHIFJLLPYRLN-DHZHZOJOSA-N 256.251 3.787 30 20 CHED CC(C)c1ccc(CCC(=O)N2CCC[C@@H](C#N)C2)cc1 928225798 GPKYNVZLCKJGTR-INIZCTEOSA-N 284.403 3.505 30 20 CHED CCCCC[C@H](C(=O)Nc1ccc(C#N)cn1)C(C)C 755287765 MDVYAQLRKXWQSL-AWEZNQCLSA-N 273.380 3.744 30 20 CHED Cc1cc(CSCc2ccc(F)cc2C#N)nc(C)n1 853765111 BFVAOHCSPYOSAD-UHFFFAOYSA-N 287.363 3.538 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1cc(O)cc(O)c1 753706804 CAIPAHSLXUMYEQ-UHFFFAOYSA-N 294.713 3.726 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(N)cc1 759654045 ZKGXYCPOUPBKNO-UHFFFAOYSA-N 257.312 3.552 30 20 CHED COc1cccc2c1C/C(=C\c1c(F)cccc1F)C2=O 759665265 OFDSMRYVKQANNN-MDZDMXLPSA-N 286.277 3.796 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1O[C@H](C)C#N 935299589 XHNLNYHGZJJKDK-OLZOCXBDSA-N 272.348 3.518 30 20 CHED C#CCN(C(=O)Nc1cccc(OCC(=C)C)c1)C(C)C 930154140 YZRBLOBUDZZPDU-UHFFFAOYSA-N 286.375 3.517 30 20 CHED C[C@H]1CCc2c(F)cccc2C1=NO[C@@H]1CCCCO1 755822473 ULVQUSDJXXGNKB-XHDPSFHLSA-N 277.339 3.655 30 20 CHED Cc1ccc(C(=O)/C=C/c2nc(Cl)cs2)c(O)c1 759085688 WUACYUHRRRGDCB-SNAWJCMRSA-N 279.748 3.707 30 20 CHED CCC[C@@H](C(=O)OC[C@H](C)C#N)c1ccc(Cl)cc1 850900664 GCPVVWARAXSJMI-BXUZGUMPSA-N 279.767 3.927 30 20 CHED C=CCN(C(=O)CC[C@@H]1CC1(Cl)Cl)C(C)(C)C 857653370 FIQGOFIBQMKHOZ-SNVBAGLBSA-N 278.223 3.774 30 20 CHED C=C[C@H](CC(=O)OCc1csc(C)n1)c1ccccc1 758918865 BZYBFNKLVJIMME-CYBMUJFWSA-N 287.384 3.855 30 20 CHED Cc1oc2ccccc2c1CC(=O)OCCC(C)(C)C#N 767721822 IKZLCHZWNRKZOI-UHFFFAOYSA-N 285.343 3.767 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1cccs1 768377538 PACHIEJTTOKBOQ-UHFFFAOYSA-N 265.378 3.554 30 20 CHED C=CCC[C@@H](O)CN(C)c1ccc2ccccc2c1 760807530 QASFERSIEIZAGQ-QGZVFWFLSA-N 255.361 3.603 30 20 CHED CON=Cc1cn(Cc2ccccc2)nc1-c1cccs1 767492577 TXOOOCFUFLNDTM-UHFFFAOYSA-N 297.383 3.640 30 20 CHED O=C1/C(=C\c2cccc3nccn23)Cc2c(Cl)cccc21 769609129 XEYPYSYITPANLT-LUAWRHEFSA-N 294.741 3.810 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1 932158873 QTWHQHJBKHXXFL-GFCCVEGCSA-N 282.359 3.737 30 20 CHED C[C@]1(C/N=C/c2cc(Cl)ccc2O)CCO[C@@H]1C1CC1 767340570 BKJXUAULYNEBJX-FENQTLIPSA-N 293.794 3.670 30 20 CHED Cc1cccc(-c2cccc([C@@H]3CCCN3)c2)c1C#N 863689472 AVKLMRNMHBFZMU-SFHVURJKSA-N 262.356 3.958 30 20 CHED C#C[C@@H](OC(=O)CCCCSC)c1ccc(C)cc1 860964866 XYMGZARDFPZJEM-OAHLLOKOSA-N 276.401 3.746 30 20 CHED CC(C)[C@H](NCC(C)(C)CCC#N)c1ccccn1 866356983 PXQQOXCBZHBXEA-HNNXBMFYSA-N 259.397 3.698 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1nc(-c2ccccc2)no1 767662426 BFSYECTVJXQUIF-CYBMUJFWSA-N 298.342 3.534 30 20 CHED N#CCOc1cc(F)ccc1NC[C@@H]1C[C@H]2CC[C@H]1C2 762791383 TZCOYOIHARLBLZ-AVGNSLFASA-N 274.339 3.576 30 20 CHED CCCCC(CC)=NNCCc1ccccc1F 764720750 AXEGYNTUAFWBMP-UHFFFAOYSA-N 250.361 3.914 30 20 CHED N#CCN(Cc1ccc(SC(F)(F)F)cc1)C1CC1 769097739 OODRQZMXGXQKMJ-UHFFFAOYSA-N 286.322 3.786 30 20 CHED C=C(C)CCNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 1117948619 DQAPEMQUCNQEJS-LBPRGKRZSA-N 289.272 3.798 30 20 CHED Cc1ccc(CSCc2ccc(CC#N)cc2)nc1 1118124194 ZTXYSOMXWRYNHM-UHFFFAOYSA-N 268.385 3.890 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cc(O)ccc1F 872071821 YDSKYJODVFFCJD-LLVKDONJSA-N 264.344 3.512 30 20 CHED CCC[C@H](CC)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 873967576 LYQZGCGZSFBVFW-INIZCTEOSA-N 284.403 3.876 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1cc(C#N)cs1 773126947 XCUYYCKGGOAWDI-CYBMUJFWSA-N 261.394 3.512 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1ccc(Cl)cc1 1115878913 PWHRJBYICSCGND-JTQLQIEISA-N 279.796 3.971 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Oc2ccc(C#N)cc2F)cc1 779362055 OGCSPMZYIPIAHN-ZDUSSCGKSA-N 297.329 3.790 30 20 CHED Cc1ncccc1C=NN[C@H](Cc1ccccc1)C(C)C 777449444 VPCDNGUEOHXCLJ-GOSISDBHSA-N 281.403 3.581 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 776167340 CQKOGOTYHJEKLM-RFQIPJPRSA-N 271.495 3.700 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1cccc(CC#N)n1)CCC2 1117674279 AGNLEPHHPFLHDV-QGZVFWFLSA-N 277.371 3.946 30 20 CHED CC[C@H](C(=O)OCCC(C)(C)C#N)c1ccc(OC)cc1 776400266 RZOVWWYMKJGOER-HNNXBMFYSA-N 289.375 3.672 30 20 CHED COc1cc(Cl)c(C=NNCC(C)C)cc1Cl 771566219 FWQKEFGIAZEBSV-UHFFFAOYSA-N 275.179 3.582 30 20 CHED N#CC1(COC(=O)c2ccc(-c3ccccc3F)o2)CC1 775841231 PYJWCLYZXBXXDU-UHFFFAOYSA-N 285.274 3.546 30 20 CHED Cc1cccc(CCC(=O)O[C@H](CC#N)c2ccco2)c1 1123461621 CYNIJTDBNDJVLN-MRXNPFEDSA-N 283.327 3.719 30 20 CHED N#C[C@@H](OC(=O)C1=CCCCCC1)C1CCCCC1 775047038 LMOFVCOJBALKPY-OAHLLOKOSA-N 261.365 3.893 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H](CC(C)C)C1 779933584 MVMCXJHXBWLKSX-MRXNPFEDSA-N 263.425 3.855 30 20 CHED C#CC[C@@H](N[C@@H](C)Cc1ccccc1OC)c1ccccc1 773114789 JYZMEARDSXRTGC-QFBILLFUSA-N 293.410 3.980 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](O)c1cc(F)cc(Cl)c1 787024080 FTWYOEQLCYXWOB-HUUCEWRRSA-N 285.790 3.847 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccnc(Cl)c1 782183799 DPJYBZCBMNBHNU-PLNGDYQASA-N 279.673 3.909 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 787497083 FRLKPNKIQRSPSQ-GFCCVEGCSA-N 289.341 3.760 30 20 CHED CC/C(=C/C(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(C)cc1 784745045 IFAVBJRESHOBAS-UIRWJGRMSA-N 296.414 3.941 30 20 CHED C=CCSCC/N=C/c1ccc(N(CC)CC)cc1O 781100041 KEALKNWDGPJTJD-GHRIWEEISA-N 292.448 3.577 30 20 CHED N#CCCN(Cc1cccnc1)Cc1cccc(Cl)c1 78662492 RCOWTEGRFNUECV-UHFFFAOYSA-N 285.778 3.651 30 20 CHED C=CCC(CC=C)c1nc([C@H]2CC2(Cl)Cl)no1 896805402 AIIUIOLTHCKBOJ-SECBINFHSA-N 273.163 3.967 30 20 CHED COCC(=NNc1cccc([N+](=O)[O-])c1C)C1CCCC1 780226228 XTBUILZTKAKIHB-UHFFFAOYSA-N 291.351 3.508 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)Cc2ccco2)c1C#N 784142933 IMYIMGQICYJHHU-VIFPVBQESA-N 275.739 3.551 30 20 CHED CCc1onc(C)c1/C=C1\Cc2cc(C)ccc2C1=O 899351048 XZDCBYNBCZCFPJ-UKTHLTGXSA-N 267.328 3.676 30 20 CHED CC(CCCC(C)C)=NN[C@@H](CO)c1ccccc1 788458645 ZWVQHZACNBROCA-INIZCTEOSA-N 262.397 3.512 30 20 CHED Fc1ccc2[nH]cc(C=NNC3CCCCC3)c2c1 786040327 LSPUJMYQKQUWAS-UHFFFAOYSA-N 259.328 3.563 30 20 CHED COc1ccc(NN=CC[C@@H](C)c2ccccc2)nc1 780268437 JKAYHLODLCDMSB-CYBMUJFWSA-N 269.348 3.682 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cnn(C2CCC2)c1 899341236 XJCQKTDPVPMIGB-KTKRTIGZSA-N 266.344 3.813 30 20 CHED c1ccc([C@@H]2CCCC2=NNc2nc3ccccc3[nH]2)nc1 794859940 KEBQKTPVRNNQIJ-LBPRGKRZSA-N 291.358 3.694 30 20 CHED CC(C)CCCCCC(=O)N(CC#N)c1ccccn1 892468931 FOMAIUUMWAZBIQ-UHFFFAOYSA-N 273.380 3.545 30 20 CHED CC(=NOC[C@@H]1CCOC1)[C@@H](C)c1ccc(Cl)cc1 794536417 WACHYEXRUQRPBI-DGCLKSJQSA-N 281.783 3.873 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnn(C2CCC2)c1 895019102 ZCDKISHVCWZFGE-AWEZNQCLSA-N 294.402 3.673 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(SC(C)C)cc1 791201053 MMQHLSYXKMEPEX-AWEZNQCLSA-N 275.417 3.719 30 20 CHED C=C[C@@H](OC(=O)c1cccc(NC(C)=O)c1C)C(C)(C)C 798902961 NRSUUGBLQPVRIV-OAHLLOKOSA-N 289.375 3.711 30 20 CHED Cc1ccc2c(C(=O)O[C@@H](C#N)C3CC3)csc2c1 796745640 QIMJWRLFQDQJGY-ZDUSSCGKSA-N 271.341 3.669 30 20 CHED CC(=NNc1ncccc1F)c1ccc2c(c1)CCCC2 794993294 LDXRHTYPHXWDOJ-UHFFFAOYSA-N 283.350 3.936 30 20 CHED CCCCCCCN[C@@H]1CC[C@H](CC(=O)OC)[C@H]1C 792891094 YSHTWIAGSDMWFN-RBSFLKMASA-N 269.429 3.524 30 20 CHED CCc1ccc(CN(CCC#N)Cc2ccco2)cc1 194986190 QHANMPKFUJQMNN-UHFFFAOYSA-N 268.360 3.758 30 20 CHED C/C(=C/Cl)CSc1ccc(C#N)cc1[N+](=O)[O-] 797829835 QUOWXACOJSQBAK-YVMONPNESA-N 268.725 3.701 30 20 CHED N#CCc1ccc(NC(=O)[C@@H](F)CC2CCCCC2)cc1 792846873 CMURIWISJYTGSH-INIZCTEOSA-N 288.366 4.000 30 20 CHED C=C(Cl)CN(C)Cc1csc(Br)c1 67461264 VVZYCYPHXDWKKM-UHFFFAOYSA-N 280.618 3.695 30 20 CHED C#CCCN(Cc1ccccc1C(F)(F)F)CC1CC1 796112959 KPYMXWGCKBWWRH-UHFFFAOYSA-N 281.321 3.941 30 20 CHED CC(C)C[C@@H](C)C=NNc1nc2cc(F)c(F)cc2[nH]1 799108693 GYEPVDJWLQJWNG-SECBINFHSA-N 280.322 3.921 30 20 CHED CC(C)C(C)(C)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 790583886 VRCMRWIDAOHYKB-UHFFFAOYSA-N 297.320 3.608 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)CCO1 70348180 CTFJHCAYHIOGBX-HIFRSBDPSA-N 278.783 3.827 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@@]1(C)CO 760101635 RCFZUPAVEXKQOM-KRWDZBQOSA-N 283.456 3.891 30 20 CHED CCCC1CCC(N(C)c2ncc(C#N)cc2F)CC1 1163218027 WJDWQXCEFORPPP-UHFFFAOYSA-N 275.371 3.887 30 20 CHED CC(C)c1ccc(CCNc2ncc(C#N)cc2F)cc1 1160812856 GCBSIYRPWCMTEG-UHFFFAOYSA-N 283.350 3.870 30 20 CHED CCc1ccc(/C=C2/COc3ccc(OC)cc3C2=O)cc1 1317776821 CBZOPJKRFQDYGK-GDNBJRDFSA-N 294.350 3.916 30 20 CHED CC(C)CC1(CNc2ncc(C#N)cc2Cl)CC1 1612127858 HZHYUZSMEZILMT-UHFFFAOYSA-N 263.772 3.845 30 20 CHED C=CCCCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1319362532 TVTHHENNTLWITF-AWEZNQCLSA-N 297.402 3.625 30 20 CHED CC(Cc1ccccc1Cl)=NNc1cc(C)nc(C)n1 1329427861 WWCSKVPUAXECBK-UHFFFAOYSA-N 288.782 3.777 30 20 CHED CC[C@@H](C)c1nnc(CSc2ccc(C#N)cc2)o1 1326230249 AQDPWDPTXLQFRY-SNVBAGLBSA-N 273.361 3.747 30 20 CHED C=CCC[C@H](Nc1ccc(OCC#N)cc1)C1CC1 1323505998 RVHIPEMIDFWBOO-INIZCTEOSA-N 256.349 3.746 30 20 CHED N#Cc1ccc(NN=CCCc2ccc(F)cc2)cc1 1327190959 MYNHOBJLLGMLPF-UHFFFAOYSA-N 267.307 3.728 30 20 CHED Cc1ccc(N(C)Cc2ccc(C#N)s2)cc1C 1327575787 UKUBZULHUVNBBJ-UHFFFAOYSA-N 256.374 3.873 30 20 CHED CCCC1CCC(Nc2cccc(CC#N)n2)CC1 1320490089 JZYFMXGVTAPHDQ-UHFFFAOYSA-N 257.381 3.918 30 20 CHED C=CCn1c(C)nnc1SCc1ccccc1C1CC1 1326827012 AGPHJPNKGBMTIA-UHFFFAOYSA-N 285.416 3.942 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCC3)COc2c(F)cccc21 1322089250 LVILYEUKOBWQTD-GDNBJRDFSA-N 294.325 3.973 30 20 CHED C[C@H]1CCC[C@H](OCc2nnc(-c3cccc(C#N)c3)o2)C1 1324183190 LQGZOEJKHWVEPW-WFASDCNBSA-N 297.358 3.704 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 1336217235 LDRPNGIRKOHMCX-VDHUWJSZSA-N 281.399 3.530 30 20 CHED Cc1ccc2sc(N(C)[C@H](C)CC#N)nc2c1C 1185602858 IGOLBTVMRYJABO-SNVBAGLBSA-N 259.378 3.652 30 20 CHED CC[C@H](NC[C@@H](C)CCC#N)c1cc(F)ccc1OC 1336853060 ABRKNCCVNQGYDT-WFASDCNBSA-N 278.371 3.815 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(C)c(Cl)c1Cl 1261505901 ZPLZCCVTMAEWLA-QMMMGPOBSA-N 289.162 3.929 30 20 CHED N#CC1(COC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)CCCCC1 1344697939 KOZWZWOPZQAZAK-BRWVUGGUSA-N 295.382 3.590 30 20 CHED CC(C)CC(C)(C)CNC(=O)Nc1ccc(F)c(C#N)c1 1199705898 WDBMJTJCQWVCLV-UHFFFAOYSA-N 291.370 3.891 30 20 CHED CCOc1ccccc1-c1nnc(-c2ccc(C#N)cc2)o1 1341532473 SIYLDCLUDJENHW-UHFFFAOYSA-N 291.310 3.674 30 20 CHED CC(C)(C#N)CNC(=O)c1ccc2c(c1)oc1ccccc12 1345433069 NIAQKNAFMNGAPC-UHFFFAOYSA-N 292.338 3.866 30 20 CHED O=C(C[C@H]1C=CCC1)N(O)Cc1cccc2ccccc12 1350667032 JBBLODVKFCZUKB-AWEZNQCLSA-N 281.355 3.914 30 20 CHED CC[C@H](C(=O)N(CC)[C@@H](C#N)CC)C1CCC(C)CC1 1289299979 XZZFJHSGWXKYLJ-FJBKBRRZSA-N 278.440 3.990 30 20 CHED CCc1ccc2c(c1)CCN(C(=O)C1(C#N)CCCCC1)C2 1440185306 GOIBZRHDDDAJNI-UHFFFAOYSA-N 296.414 3.608 30 20 CHED CN(Cc1cc2ccccc2o1)C(=O)c1ccsc1C#N 1457437558 QGFFOWPPLUCTHS-UHFFFAOYSA-N 296.351 3.638 30 20 CHED Cc1ccc(N(C)C(=O)[C@H](CC#N)c2ccccc2)cc1 1536541279 RYYHZCYXZGHKMZ-QGZVFWFLSA-N 278.355 3.655 30 20 CHED CC[C@@H](C)Oc1cccc(NCc2cccc(F)c2C#N)n1 1474675888 GZPKJHLJGYKVAZ-GFCCVEGCSA-N 299.349 3.882 30 20 CHED CC[C@H](CC#N)Nc1cc(-c2ccccc2)nc2ccnn12 1612224190 JZSZAOWECHXLJG-CQSZACIVSA-N 291.358 3.500 30 20 CHED C=C(CC)C(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C 1548698553 VVSALWNBZHBTFV-OAHLLOKOSA-N 263.356 3.947 30 20 CHED Cc1cc(N(Cc2ccccc2C)C2CC2)ncc1C#N 1472672207 JTIKTUBLTNQTKJ-UHFFFAOYSA-N 277.371 3.739 30 20 CHED CC1(C)C[C@H](C#N)c2cc(Br)ccc2O1 328578293 GQFUQHPJCJHGJE-MRVPVSSYSA-N 266.138 3.617 30 20 CHED C#CCCCCC(=O)N1CCC[C@H](C(C)(C)C)CC1 119863253 YPSMUBSPKZVKBM-HNNXBMFYSA-N 263.425 3.855 30 20 CHED CCC[C@H](CC)C(=O)Nc1cc(C#N)ccc1NCC 1630543326 LPCMZCBICOAMIT-ZDUSSCGKSA-N 273.380 3.755 30 20 CHED C=C(Cl)Cn1c(N2CCC[C@H](C)C2)nnc1C(C)(C)C 1722558281 JSEIBZHNFBSOBE-NSHDSACASA-N 296.846 3.564 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc2cc[nH]c2c1 229647070 LCWGHWKMNWNQHG-UHFFFAOYSA-N 261.328 3.960 30 20 CHED Cc1ccc2[nH]cc(CCNc3ccc(C#N)c(C)n3)c2c1 1640525547 PCLVKTUDBUPGJD-UHFFFAOYSA-N 290.370 3.706 30 20 CHED COc1cccc(/C=N/[C@H](C)c2ccccc2)c1O 5273447 GLKLLGLTBKQCOA-PBSOMRJOSA-N 255.317 3.581 30 20 CHED CC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)c2ccccc2O1 1652596846 YGUOGEIXXPIXID-OAHLLOKOSA-N 296.345 3.875 30 20 CHED CC(C)[C@@H]1CCC[C@H](Nc2ncc(C#N)cc2F)C1 1650733238 UBCDDWSHUHHRQZ-OLZOCXBDSA-N 261.344 3.719 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc(C(=O)O)c(Cl)c1 1588672973 GMGNAEMBCZUGFI-UHFFFAOYSA-N 282.723 3.546 30 20 CHED C=C[C@@H](N[C@](C)(Cc1ccc(Cl)cc1)C(C)C)C(=O)O 1588693235 UNHDSCJIRFZWKZ-GDBMZVCRSA-N 295.810 3.526 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1Cc2ccc(Cl)cc2C1 1652312876 QUNLCZJMUNNIKG-INIZCTEOSA-N 293.757 3.663 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1Cc1cccc(C#N)c1 1653768445 ZVDARWOARZMKQD-YOEHRIQHSA-N 256.393 3.959 30 20 CHED CC(=NNc1cccc(F)c1F)c1cc(C(=O)O)cs1 1589017424 NQCIPFJYEZTYBU-UHFFFAOYSA-N 296.298 3.561 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)c(F)cc1[N+](=O)[O-] 123432502 KRXOLFYXHZODGQ-UHFFFAOYSA-N 272.235 3.706 30 20 CHED CC(C)(C#N)CCCC[S@](=O)c1cc(F)ccc1F 232526440 OWUOTALWDVUDFV-IBGZPJMESA-N 285.359 3.792 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)CC1=NNc1ccc(C(=O)O)nc1 1776069120 RBRNKXXRESNPIF-YPMHNXCESA-N 289.379 3.640 30 20 CHED Cc1cc2[nH]c(C=NNc3ccccc3C(=O)O)cc2s1 1776031405 FNCABMZLIVJUJZ-UHFFFAOYSA-N 299.355 3.682 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(OC(C)(C)C)CC1 162319090 SHHLCZBMOWWNDT-CQSZACIVSA-N 286.419 3.899 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1cccc(Oc2ccccc2)c1 158550353 NXMOBSAOJXZWCA-ZDUSSCGKSA-N 295.342 3.903 30 20 CHED Cc1cc(C)cc(NC(=O)[C@H](C#N)c2nc(C)c(C)s2)c1 160153881 XBSGHQXZXRNRKB-AWEZNQCLSA-N 299.399 3.623 30 20 CHED N#CCC[C@@H](NC(=O)c1cccc(F)c1)c1ccccc1 153202989 NXFWOZKHFIZNLS-MRXNPFEDSA-N 282.318 3.601 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(N(C)C)c(Cl)c1 153906975 COCKVWIHPHNHQI-UHFFFAOYSA-N 293.798 3.612 30 20 CHED N#CCCN(Cc1cccnc1)Cc1coc2ccccc12 159079409 KYHGVSXZUXEFBD-UHFFFAOYSA-N 291.354 3.744 30 20 CHED CC[C@@](C)(C#N)C(=O)N(CCC(C)C)CCC(C)C 233954837 WCKOABBMTVQKPD-INIZCTEOSA-N 266.429 3.847 30 20 CHED Cc1ccnc(N[C@H]2CCCc3sccc32)c1C#N 135075910 QRDGHBHZPLTTRO-ZDUSSCGKSA-N 269.373 3.813 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2F)ccc1[N+](=O)[O-] 38080847 MDJLHWVEHWZDEJ-UHFFFAOYSA-N 272.235 3.706 30 20 CHED C#CCCCCC(=O)Nc1cccc(-n2cccc2)c1 179719614 SHRQJGFIKPRFMV-UHFFFAOYSA-N 266.344 3.609 30 20 CHED C=CCC1(NCc2ccncc2Cl)CCCC1 661867840 ZWSGVNWYALPLCQ-UHFFFAOYSA-N 250.773 3.714 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2cc[nH]c2c1 294165692 IODAJIKHQSEXPR-UHFFFAOYSA-N 256.349 3.500 30 20 CHED N#Cc1ccc(Oc2nc(C(F)(F)F)cs2)cc1 301745629 XGWFMMDSNHWWKO-UHFFFAOYSA-N 270.235 3.826 30 20 CHED C=CCOCCN[C@H](C)c1oc2ccccc2c1C 311989107 VFLKYPDWOFFAJZ-CYBMUJFWSA-N 259.349 3.594 30 20 CHED Cc1ccc(CN(CCC#N)C(C)C)cc1Br 313798263 NCEIQABHTNMBDI-UHFFFAOYSA-N 295.224 3.882 30 20 CHED C=C(CC)CN[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 469766302 DCPLLAGMWPLUKR-DZFIZOCASA-N 286.463 3.699 30 20 CHED CS[C@@H]1CC[C@H](N(C)CCCC(C)(C)C#N)C1 687820422 SCLPXVLQDYMNGO-QWHCGFSZSA-N 254.443 3.532 30 20 CHED C#CCN(C(=O)C1CCCCCC1)C1CCCCC1 688795722 VCQSOVRNXOOQMX-UHFFFAOYSA-N 261.409 3.751 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCCCC12CCCC2 692876796 RPXIJSYCNNITBE-OAHLLOKOSA-N 261.409 3.799 30 20 CHED C=C(Br)CN(C)Cc1c(C)cccc1C 1308114466 REDNIEIVUCAECL-UHFFFAOYSA-N 268.198 3.644 30 20 CHED Cc1cccc(C(=O)OCc2ccccc2C#N)c1C 7005188 BOZLAEMKFFWEGH-UHFFFAOYSA-N 265.312 3.532 30 20 CHED N#Cc1cccc(CNC2(c3ccccc3)CCC2)c1 51188660 CEWLDQBKQCNYRD-UHFFFAOYSA-N 262.356 3.727 30 20 CHED C=C(C)CN(CC)C(=O)CSc1ccccc1C 57158062 FNXKQCRVPZLITF-UHFFFAOYSA-N 263.406 3.512 30 20 CHED CCN(C(=O)c1oc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 175507403 CNDBUJBMTJAVKN-AWEZNQCLSA-N 296.370 3.991 30 20 CHED C=CCCCC(=O)Nc1ccc(N2CCSCC2)cc1 175762598 ZFJDHVQHAYMMTQ-UHFFFAOYSA-N 290.432 3.535 30 20 CHED CCC(CC)NC(=O)Nc1cc(C#N)ccc1OC(C)C 54536926 PGKQQDREQLGAMQ-UHFFFAOYSA-N 289.379 3.656 30 20 CHED C[C@@H](NC(=O)NCCCCC#N)c1ccc(F)cc1Cl 172497781 WGHFMWXNTFHKRE-SNVBAGLBSA-N 297.761 3.533 30 20 CHED C[C@@H]1C[C@@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 105437544 JLEUIOVZNBFDRE-KUHUBIRLSA-N 292.382 3.635 30 20 CHED CN(CC1CCC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 111722765 SKYMXWJPFBAIOE-UHFFFAOYSA-N 285.391 3.752 30 20 CHED Cc1cccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1 110010878 FCKSOKAOLVOWFT-LJQANCHMSA-N 292.382 3.640 30 20 CHED Cc1cc(C)cc(N/C(N)=N/Cc2ccc(Cl)cc2)c1 303722465 YGFBKMXFRQIVOV-UHFFFAOYSA-N 287.794 3.884 30 20 CHED Cc1[nH]c2ccc(C(=O)O[C@@H]3CC[C@H](C#N)C3)cc2c1C 179905274 RHRZDVITUVVHNT-GXTWGEPZSA-N 282.343 3.634 30 20 CHED C[C@@]1(CO)CCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 301729785 RTCPXEREZDZSEM-KGLIPLIRSA-N 298.308 3.540 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 301104882 JBUSISKPBOWDKJ-KSSFIOAISA-N 278.355 3.525 30 20 CHED Cc1cccc([C@H](C)S(=O)(=O)CCCC(C)(C)C#N)c1 178169740 PAGFEGGJUGJHSW-AWEZNQCLSA-N 293.432 3.801 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@H]1C[C@H]1C1CC1 177275564 IKNXBSKWANRKLD-STQMWFEESA-N 286.400 3.677 30 20 CHED N#Cc1ccc(N2CCC(c3ccc(Cl)cc3)CC2)nc1 302468556 WDYAZZQGSXCIQB-UHFFFAOYSA-N 297.789 3.991 30 20 CHED CCc1nc(CCNc2ccc(C#N)c(Cl)c2)cs1 301226851 FFLBDSPMYXZXPB-UHFFFAOYSA-N 291.807 3.885 30 20 CHED CC[C@H]1CCCN(C(C)(C)CNCC(C)(C)CCC#N)C1 174376248 NBWDWAYAEXYQFV-INIZCTEOSA-N 293.499 3.807 30 20 CHED CC(C)(C#N)c1nc(-c2ccc(N3CCCCC3)cc2)no1 177734877 LYEZHWHIQZQBGG-UHFFFAOYSA-N 296.374 3.528 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1 171512574 KWUGQJAIHFXYJI-CABCVRRESA-N 276.424 3.791 30 20 CHED CC(C)n1cccc1C(=O)[C@H](C#N)c1nc2ccccc2o1 179611556 XHXJVUGZWUWOKG-LBPRGKRZSA-N 293.326 3.700 30 20 CHED CC(C)CC1(CNC(=O)N(C)Cc2cccc(C#N)c2)CC1 126679654 RRZINMPRJOTSQL-UHFFFAOYSA-N 299.418 3.526 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C#N)s1 127583748 PTGAWILURXORFS-UKRRQHHQSA-N 282.412 3.998 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C#N)cs1 176909132 IUIHAXSMLOOBRA-STQMWFEESA-N 276.405 3.661 30 20 CHED COc1cc(COc2ccccc2C#N)ccc1SC 68043268 LMPJMTCTTHFSKC-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1O 185836742 CZWWXTMWFIJXGS-LBPRGKRZSA-N 291.391 3.609 30 20 CHED Cc1ccc(SC[C@H](C)NCc2ccc(C#N)o2)cc1 185797158 ZOYUTIBCXLBGEK-ZDUSSCGKSA-N 286.400 3.730 30 20 CHED CC#CCCCC(=O)N(Cc1cccc(F)c1)C1CC1 185221822 LNTJGYGIRNCLCJ-UHFFFAOYSA-N 273.351 3.510 30 20 CHED N#C[C@@H](C(=O)C1CC=CC1)c1nc(-c2ccccc2)cs1 77941219 ANFWZRODRARYOE-AWEZNQCLSA-N 294.379 3.953 30 20 CHED C=CCC[C@@H](O)CN[C@@H](CCC)c1ccc(F)cc1F 181675235 NSYBCSZAWPNREN-CJNGLKHVSA-N 283.362 3.723 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccccc1C(C)(F)F 411037251 RCNIWIWGYPXYHI-CYBMUJFWSA-N 266.291 3.677 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)c1cccc(O)c1 121348616 WBPHUIBRVFENIW-CYBMUJFWSA-N 298.361 3.986 30 20 CHED C[C@H](O/N=C1/CCCOCC1)c1ncc(C(C)(C)C)o1 180489957 IIRHZRRAKCHTNH-TUCQUAOGSA-N 280.368 3.606 30 20 CHED Cc1nccnc1[C@@H](C)Nc1cccc(OCCCC#N)c1 188332515 VSZNLYBUVRTTSS-CQSZACIVSA-N 296.374 3.641 30 20 CHED C=CCC[C@@H](C)NC[C@@H](N)c1ccc(C(C)C)cc1 414842064 IKXQBZWFVMKTCU-RHSMWYFYSA-N 260.425 3.754 30 20 CHED CCCC(CCC)C(=O)N[C@H](C)c1ccc(C#N)cc1 120884426 QJMKCTMTQIKUFT-CYBMUJFWSA-N 272.392 3.952 30 20 CHED CC(C)c1nnc(CSCc2ccc(F)cc2C#N)o1 125491052 CBMYNLCHIXQLFR-UHFFFAOYSA-N 291.351 3.637 30 20 CHED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccccc1 125165345 UXTMSFRBDKIUFZ-QGZVFWFLSA-N 295.338 3.567 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(OCc2nccn2C)cc1 180952237 NYLLPHHXUBJTCI-CABCVRRESA-N 299.418 3.614 30 20 CHED CSC[C@@](C)(C#N)NC(=O)c1ccc(C)c2ccccc12 415683672 DAVJOXYJWGIIPV-QGZVFWFLSA-N 298.411 3.523 30 20 CHED N#Cc1cnc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)c(F)c1 413306743 WMSADQDWBHTQEM-MQMHXKEQSA-N 285.297 3.590 30 20 CHED C=C[C@H](C)N[C@H]1CCc2c(F)ccc(Br)c21 126900584 UCXUHMDRBSCPGJ-UFBFGSQYSA-N 284.172 3.740 30 20 CHED CC#CCCCC(=O)O[C@H](c1ccccc1)c1nccs1 186116047 XTBVTYBZCDFBGW-MRXNPFEDSA-N 299.395 3.969 30 20 CHED C=CCCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1F 315165335 XMMBAANUIUAEPP-UHFFFAOYSA-N 294.326 3.600 30 20 CHED C=C(C)CN1CCC[C@@H](c2nc3ccccc3o2)C1 373939419 RWAHUIAQLPHKFX-CYBMUJFWSA-N 256.349 3.583 30 20 CHED CC#CCCCC(=O)NCC(C)(C)c1ccc(Cl)cc1 185244341 KBIHEYAUXFRVFK-UHFFFAOYSA-N 291.822 3.927 30 20 CHED Cc1cccc([C@H](C)Nc2nccc(C)c2C#N)c1 450951981 ZLILTEQLCSJORZ-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C[C@@H](CN[C@H]1CCC[C@H](C#N)C1)COCc1ccccc1 185804926 ZPSPRPIIWMYPGW-SZMVWBNQSA-N 286.419 3.511 30 20 CHED C=CCCC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 78481089 DOJMAGWHSRETQS-SJORKVTESA-N 271.404 3.870 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(F)cc2F)ccc1O 212829172 PQVRNZWRKXSHTG-UTCJRWHESA-N 290.265 3.575 30 20 CHED COc1ccccc1C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 315779294 VMQJYPYSEPURSO-CABCVRRESA-N 294.398 3.849 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)[C@H]1C 416736194 OXFQROYDSRSSII-OUAUKWLOSA-N 291.782 3.720 30 20 CHED C=CCN(CC(=O)Nc1ccccc1C)Cc1ccccc1 45796714 WOBGZLLTZCUXTI-UHFFFAOYSA-N 294.398 3.622 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)c2c1CCC2 410669192 BZZZKVRKOSYALX-GOSISDBHSA-N 284.403 3.542 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccccc1OCc1ccccc1 509826612 IRGJCXFVKNGOFY-INIZCTEOSA-N 294.398 3.857 30 20 CHED C=C(C)CCc1noc(-c2ccc(F)c(F)c2)n1 508644076 SWEGZNWHWAMQLA-UHFFFAOYSA-N 250.248 3.524 30 20 CHED CC[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 135283555 BPKVQEXTUCBEFE-CQSZACIVSA-N 256.393 3.720 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 187117852 RHKMCZLHYCKBIU-IRXDYDNUSA-N 286.419 3.615 30 20 CHED N#Cc1ccc(C/N=C(/O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 329797898 HMWHGLIIAREJDY-GVDBMIGSSA-N 297.402 3.531 30 20 CHED N#CCCCCN=c1[nH]cc(-c2ccc(Cl)cc2)s1 413128620 WTZYCTRGDTZCNZ-UHFFFAOYSA-N 291.807 3.991 30 20 CHED C[C@@H]1C[C@H](CNc2ccc(C(F)(F)F)cc2C#N)[C@@H](C)O1 413543158 XNIDCTSUBPYJKY-CKYFFXLPSA-N 298.308 3.802 30 20 CHED N#Cc1ccccc1CSCC1CC(F)(F)C1 419396385 SEMNBLWVTBREGF-UHFFFAOYSA-N 253.317 3.837 30 20 CHED CCCCCN(CCCOC)Cc1cc(F)ccc1C#N 505851038 KIVRTYWHHZXJMJ-UHFFFAOYSA-N 292.398 3.726 30 20 CHED OC(=Nc1scnc1C1CC1)c1cc(C2CC2)on1 328931715 ZUWCDTIQVYSWEH-UHFFFAOYSA-N 275.333 3.522 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCC(C)(C)c1ccccc1 131184528 PEQSIOAOMJXCFM-HNNXBMFYSA-N 286.419 3.753 30 20 CHED COc1ccc(CN2CCC[C@H]3CCCC[C@@H]32)cc1C#N 87833188 GJJSGEFJHOTJJI-WBVHZDCISA-N 284.403 3.721 30 20 CHED Cc1c(C(=O)NC2CCCC2)sc2ccc(C#N)cc12 428012125 CSTVDNPSBNLAMN-UHFFFAOYSA-N 284.384 3.754 30 20 CHED C#CCCCC(=O)N[C@@H](CCC)c1ccc(F)cc1F 192386307 UGWIWLUACOUCJJ-HNNXBMFYSA-N 279.330 3.726 30 20 CHED C=CC[C@@H](C(=O)NCc1cc(C)nc(C)c1)c1ccccc1 421579981 VHAUOWYDHDYQGN-GOSISDBHSA-N 294.398 3.675 30 20 CHED C[C@]1(C#N)CCCN(C(=O)CCCC2CCCCC2)C1 612242580 HFKKEPRQIMYQCF-QGZVFWFLSA-N 276.424 3.889 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(Br)nc1 290628610 IXGMFOONNNXDJE-PWSUYJOCSA-N 283.213 3.849 30 20 CHED CC(C)(CC#N)CSc1nnc(Cc2cccs2)o1 519706325 JLMNFBWMMCWOGT-UHFFFAOYSA-N 293.417 3.754 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(CC#N)cc2)s1 89427350 XSXDOKWWRFBIET-UHFFFAOYSA-N 295.367 3.501 30 20 CHED COc1ccc(NC(=O)c2cc(C#N)cs2)cc1Cl 84059635 RXQLGLUXYRGBPJ-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C#CCN(C)CCCN[C@H](C)c1cc2ccccc2s1 381250650 BTYNKLYUKGLAGU-CQSZACIVSA-N 286.444 3.507 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@H]2CCCS2)n1 613429116 GKOZDDBFAFKEQK-GFCCVEGCSA-N 275.421 3.558 30 20 CHED CC(C)[C@@H](Cc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 424321185 GYBHFECQOFNOLE-GVDBMIGSSA-N 256.393 3.536 30 20 CHED CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2o1 194583304 SZDUONFDKOXOJC-NWDGAFQWSA-N 270.332 3.830 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccc(Cl)c(OC)c1 424852370 OCHKQSKWWIQKEX-UHFFFAOYSA-N 295.810 3.610 30 20 CHED COc1ccsc1C(=O)/C=C/c1cccc(OC)c1F 195503139 MKBYOGQVENFJAO-VOTSOKGWSA-N 292.331 3.801 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2c(F)cccc2F)CCC1 421547403 WRXICAUHSAMVGS-LBPRGKRZSA-N 293.357 3.857 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 220148889 DHCZKDCKDVHKPI-RUDMXATFSA-N 286.714 3.934 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C2CCCC2)nn1C 424766260 UDMKLTOVYDGEOR-UHFFFAOYSA-N 275.396 3.619 30 20 CHED C[C@H]1c2ccsc2CCN1CCCC(C)(C)C#N 87608645 ALGRBSIOOCCKNL-LBPRGKRZSA-N 262.422 3.997 30 20 CHED C#CCCCC(=O)N[C@@H](CCC(C)C)C(C)(C)C 192319743 KHHFRIBOMNDDFZ-AWEZNQCLSA-N 251.414 3.757 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 424782903 JBFKSOKMQAVEKR-TYUFSLCMSA-N 289.341 3.636 30 20 CHED C=CC1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 335754696 ZJDQDIWPLGRQFA-UHFFFAOYSA-N 282.387 3.526 30 20 CHED N#Cc1ccc(NC[C@H]2CCC[C@@H](N)C2)c(C(F)(F)F)c1 420273085 DXADLXABYUXPTP-NWDGAFQWSA-N 297.324 3.506 30 20 CHED N#Cc1ccc(C(=O)Nc2c(F)cc(Cl)cc2F)s1 334305108 GEVQVOFBJQIRIP-UHFFFAOYSA-N 298.701 3.804 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2sccc2C#N)C1 141128087 FBCSQDKWLANEJC-BLLLJJGKSA-N 288.416 3.661 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/CC1(C(C)C)CC1 330022606 ZUGKSVQTHYVKBX-UHFFFAOYSA-N 276.380 3.676 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC1(C)CCCC1 517500797 QDZCVLUWAFRHOS-UHFFFAOYSA-N 286.419 3.965 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@H]1CCC[C@H](C)C1 330484009 WEEXDWZZEXGCMB-OFQRWUPVSA-N 264.413 3.647 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)c(F)c1 334234595 QCHRAMCDCRVZSM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C[C@H]1CCCCN1C(=O)C1CCC(C(F)(F)F)CC1 335202932 VYRBWEQTCZUYIN-BPCQOVAHSA-N 289.341 3.922 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc(Cl)sc1Cl 339169545 WBYJVNKOFHQGAE-ZETCQYMHSA-N 291.203 3.819 30 20 CHED N#CC[C@@H](CC(=O)N[C@@H]1CC12CCCCC2)c1ccccc1 332934110 FZMHDOBPNHHTRI-DLBZAZTESA-N 296.414 3.913 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cc3ccccc3s2)C1 335912740 HPRLQFUDCMSBJX-WCQYABFASA-N 256.374 3.683 30 20 CHED CC(C)c1cccc(CNC(=O)N2CCC(C)(C#N)CC2)c1 334877400 LGLQYJLETOVNHM-UHFFFAOYSA-N 299.418 3.645 30 20 CHED C=CCOc1ccc(C(=O)N(CC)CCCC)cc1 97150839 LEOXMELIMOLFEE-UHFFFAOYSA-N 261.365 3.514 30 20 CHED CCN(C(=O)c1sccc1C#N)c1cccc(C)c1C 335667740 FQRCJPSGPRVYRH-UHFFFAOYSA-N 284.384 3.903 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2cnccc2C#N)C1 94163106 HOJSPBLPCFAKEA-HOCLYGCPSA-N 277.371 3.644 30 20 CHED CCN(Cc1cc(C)c(OC(F)F)c(C)c1)C[C@@H](C)C#N 91982885 MGPUUQAHWMWRJU-NSHDSACASA-N 296.361 3.886 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCOc2cccc(F)c2C1 338331818 YKAXZTXVFSSALZ-ZDUSSCGKSA-N 296.345 3.653 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CC1CCCC1 436293956 WKQUIBPPRVUYJJ-IMJJTQAJSA-N 251.414 3.526 30 20 CHED C=CCc1cc(CN(C)[C@H]2CC[C@@H](C)C2)cc(OC)c1O 433042326 FYDOMXVHLQABIO-CJNGLKHVSA-N 289.419 3.750 30 20 CHED N#CCC1(CNCc2cc(F)cc(C(F)(F)F)c2)CC1 430020354 OUIKGYIUDIDPIE-UHFFFAOYSA-N 286.272 3.628 30 20 CHED CCCN(CCC)Cc1ccc(C#N)cc1OC(F)F 437416497 HMULSEZLIVKEQI-UHFFFAOYSA-N 282.334 3.782 30 20 CHED C=C(C)COc1cc(CN[C@H]2CC[C@H](F)C2)ccc1OC 342273617 GOIJOVSCTBTBJD-GJZGRUSLSA-N 293.382 3.630 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 249177573 GDNOJSKCNGVXHF-IGQOVBAYSA-N 293.373 3.660 30 20 CHED CC[C@H](NCC1(C#N)CC1)c1ccccc1OC(F)F 343584305 UXVVINWGGQKKCQ-LBPRGKRZSA-N 280.318 3.632 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(NC[C@H](C)CC)cc1 437239091 ILXCSVCRCFXCLS-OAHLLOKOSA-N 286.419 3.959 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CC[C@H](C)CC1 538363315 AENYUFHAHNFKGF-IHRRRGAJSA-N 252.402 3.609 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C12CCCCC2 248882427 RTKAGVOJOBJNKY-WCXIOVBPSA-N 290.451 3.786 30 20 CHED CC(C)C[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 437582611 YVJAPIXKEQXANX-MRXNPFEDSA-N 259.368 3.545 30 20 CHED Cc1cccc([C@@H](NCC2(CC#N)CC2)C(F)(F)F)c1 602807915 UVPHDYUQVRECOB-CYBMUJFWSA-N 282.309 3.882 30 20 CHED N#Cc1c(F)cccc1NCc1ncc(-c2cccs2)[nH]1 439130514 KINLEHYSGZMOGF-UHFFFAOYSA-N 298.346 3.761 30 20 CHED N#CC1(CSCc2ccn(-c3ccccc3F)n2)CC1 438306509 QBLUXKFPBPDEJF-UHFFFAOYSA-N 287.363 3.548 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC(OC(C)(C)C)CC1 432559596 DGBDGEMNSYOESV-UHFFFAOYSA-N 296.455 3.578 30 20 CHED Cc1cc(NCCCO[C@H](C)c2ccccc2)cc(C#N)n1 341396711 YTXKIHBMEZGAGX-OAHLLOKOSA-N 295.386 3.842 30 20 CHED C=CCCS[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 523521767 BWORRCHNPLZOSD-IGQOVBAYSA-N 269.454 3.625 30 20 CHED Cc1cccc(CSCCOc2cccc(C#N)c2)n1 346584422 QGLSBJMIIAXGEA-UHFFFAOYSA-N 284.384 3.574 30 20 CHED CC(C)(CCC#N)CNC(=O)C/C=C/Cc1ccccc1 602157684 YYUVSUYFQGEXEX-VOTSOKGWSA-N 284.403 3.622 30 20 CHED C=CCCNc1cccc(Cl)c1OCCOCC 607149964 HKYSMHTULGOBEE-UHFFFAOYSA-N 269.772 3.743 30 20 CHED C=CCOCCCN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 348026731 DRIJFTNUFCHUGB-ZBFHGGJFSA-N 277.408 3.954 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@]1(CCC)COC 447829405 SMJMGQLZWSGOFD-RDJZCZTQSA-N 296.455 3.722 30 20 CHED C=CCCC1(C(=O)N2CCO[C@@H](c3ccccc3C)C2)CC1 526005566 PTVKIZVFLHOKMZ-QGZVFWFLSA-N 299.414 3.641 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](c2cccs2)C2CC2)C1 447541172 LLEWDKSZJUBMDD-OSAQELSMSA-N 260.406 3.871 30 20 CHED C=CCOCCCS[C@H](C)C(=O)Nc1cccc(C)c1 359152102 IJTWNMSKXODDLI-CQSZACIVSA-N 293.432 3.648 30 20 CHED C=CCCCCCN(C)Cc1c(C)nc2sc(C)nn12 353839719 AXUSEMFKQGXGHQ-UHFFFAOYSA-N 292.452 3.586 30 20 CHED COc1ccc(C2(NC[C@@H](C)CCC#N)CCCC2)cc1 602544371 ALLJDLNJKXEZIG-HNNXBMFYSA-N 286.419 3.994 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CCC(C)(F)F 604486366 MXUYLYLHBNMZEE-UHFFFAOYSA-N 292.329 3.508 30 20 CHED C=CCOCCCSCC(=O)Nc1ccc(CC)cc1 359152637 JSLSQISKMMBQJP-UHFFFAOYSA-N 293.432 3.513 30 20 CHED C[C@H](CC#N)N(C)Cc1cnc(C2CCCCC2)s1 538740245 XTSSRZOWXVONLX-GFCCVEGCSA-N 277.437 3.925 30 20 CHED CCOc1ccc2c(c1)CCN(Cc1ccccc1C#N)C2 354119301 HCXBIZSPPXCDRX-UHFFFAOYSA-N 292.382 3.515 30 20 CHED Cc1cccc2cc(C(=O)N(CCC#N)C(C)C)oc12 608815017 XDMWWTQMXIKWMS-UHFFFAOYSA-N 270.332 3.506 30 20 CHED C=CCN(C(=O)CCc1ccc(OCCC)cc1)C1CC1 539035829 WFPJUIDQAAWEKV-UHFFFAOYSA-N 287.403 3.585 30 20 CHED C=CCCCCCN(C)C(=O)[C@]1(C#N)CC12CCCC2 449916609 RGCFPKHARXEDHA-QGZVFWFLSA-N 274.408 3.665 30 20 CHED C=C(CC)COc1ccc([N+](=O)[O-])cc1Br 537993893 RODAECCLOHZMNQ-UHFFFAOYSA-N 286.125 3.702 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc3ccncc23)C1 618573998 MNSWWIRVRHKIGC-GXTWGEPZSA-N 251.333 3.729 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)oc1C 532267999 WQLLYHXBDCARQZ-NSHDSACASA-N 280.283 3.528 30 20 CHED C=CCC[C@@H](NCc1cccc(C#N)c1)c1ccco1 353434604 KADHYNFUPVRNDW-MRXNPFEDSA-N 266.344 3.948 30 20 CHED N#CC[C@H](CC(=O)NC[C@@H]1CC=CCC1)c1ccccc1 355162740 IZEPOOFUWAUSEL-NVXWUHKLSA-N 282.387 3.546 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(C(C)C)n2)C1 617783052 SBJVWQMTITXYIH-CQSZACIVSA-N 272.392 3.633 30 20 CHED N#C[C@@H](NC(=O)[C@H]1CC12CCCC2)c1ccc(Cl)cc1 530862766 KINXGWPWPOSMCG-ZIAGYGMSSA-N 288.778 3.601 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCc3ccccc32)CC1 355970194 MFTBLLKCGXINGJ-OAHLLOKOSA-N 269.388 3.579 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(Cl)sc1Cl 449016083 MKSVZTLTIQBFSF-ZETCQYMHSA-N 263.193 3.646 30 20 CHED C=CCCCC[C@@H](C)NCc1noc2c1CCCC2 449329607 OUWYLFQZZQDOLJ-CYBMUJFWSA-N 262.397 3.778 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1cc(C)cc(C)c1 610088887 MJZRARNMTXKOMK-CYBMUJFWSA-N 263.406 3.940 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cn(C)c2ccccc12 537227914 AYOGLIGBKZAKLC-AWEZNQCLSA-N 284.403 3.582 30 20 CHED C=CC[C@@H]1N(CC[C@@H]2CCCN2C)CCCC1(C)C 444794100 UPWHZIXQQZQPMY-HOTGVXAUSA-N 264.457 3.537 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cccc(OCC#N)c1 266351417 HLABHCBGIBXGGY-OLZOCXBDSA-N 289.379 3.535 30 20 CHED CCc1ccccc1CNC(=O)Nc1ccc(F)c(C#N)c1 610142408 FSFUPBOVLMLMLW-UHFFFAOYSA-N 297.333 3.581 30 20 CHED Cc1cc(C#N)ccc1CSCCOCC(C)C 619705390 ZMRDQWLBJQFNTF-UHFFFAOYSA-N 263.406 3.773 30 20 CHED C=CCC[C@@H](O)CN(CCC)Cc1ccc(C)cc1 531614271 VCWXOIFRBHLYES-QGZVFWFLSA-N 261.409 3.534 30 20 CHED N#CCC[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1ccccc1 533370246 GXBFSHBUPSVUMW-JKSUJKDBSA-N 282.387 3.728 30 20 CHED N#Cc1ccc(NC[C@@H](c2ccccc2)N2CCCC2)cc1 619511062 BDKLZHDCDZMAQK-IBGZPJMESA-N 291.398 3.807 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(C2CC2)c1 454537517 WSXKUDDQWZUZRO-STQMWFEESA-N 272.392 3.889 30 20 CHED CCc1cccc(C)c1NC(=O)NCC(C)(C)CC#N 459231588 KSEZXBUAUMBOPU-UHFFFAOYSA-N 273.380 3.619 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2c(F)cccc21 618802938 GHUPUCWLOFRFIS-MOPGFXCFSA-N 292.357 3.962 30 20 CHED CC[C@@]1(C(C)C)C[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 457307072 VWTLFIMFUCFDOV-AEFFLSMTSA-N 296.414 3.531 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2oc(N(C)C)nc2c1 360649812 WGXZWRNCWZDJEV-UHFFFAOYSA-N 299.374 3.601 30 20 CHED C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 548288482 VBMAWGWKZBNNBP-LBPRGKRZSA-N 298.773 3.745 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2CCC[C@H]2C1 549670088 ONKNVYVINPWZFH-ILXRZTDVSA-N 288.439 3.604 30 20 CHED CCN(CCC#N)Cc1sc(C)cc1Br 453561069 INFJIIVKUNMMKX-UHFFFAOYSA-N 287.226 3.555 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(F)ccc(C)c1F 540524708 AHECGEWYELUVQF-LLVKDONJSA-N 267.319 3.748 30 20 CHED CN1CCN(CC(C)(C)CCC#N)c2cc(Cl)ccc21 360956798 INSPBXUKSGPVRK-UHFFFAOYSA-N 291.826 3.926 30 20 CHED C=C[C@@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 277945733 OPUOAMGETFVZGO-DOTOQJQBSA-N 296.414 3.887 30 20 CHED C=CC(C)(C)CNC(=O)c1cnc(-c2ccccc2)s1 452774917 GIJWRPASAOQTML-UHFFFAOYSA-N 286.400 3.752 30 20 CHED C=CCOc1cccc(CNCC[C@H]2CCO[C@@H](C)C2)c1 544167073 ZQMZEFXXGVJRCZ-HOTGVXAUSA-N 289.419 3.546 30 20 CHED N#CCc1ccc(CSC[C@@H]2CCCCO2)cc1 541292858 GTVXMCHYMITKAY-HNNXBMFYSA-N 261.390 3.555 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 450077909 YAZHZCVKSKVCQQ-QMTHXVAHSA-N 296.292 3.670 30 20 CHED CC(C)(CNC(=O)c1cc(C#N)ccc1Cl)C1CCC1 452787664 VNBVSMILRNLECP-UHFFFAOYSA-N 290.794 3.768 30 20 CHED C#CCC1(C(=O)Nc2ccc(O)cc2CC)CCCCC1 276946890 RYZRLJIHUFFRGO-UHFFFAOYSA-N 285.387 3.867 30 20 CHED C=CCOCCN1CCC[C@H]1c1ccc(Cl)cc1 549345324 WSNZBTUMKZOCCY-HNNXBMFYSA-N 265.784 3.680 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1nc(C(F)(F)F)cs1 277047606 GSZABBRHPUIOGI-LLVKDONJSA-N 293.310 3.807 30 20 CHED N#Cc1ccc(CN2Cc3cccc(Cl)c3C2)s1 377851701 LKZFQULREPBBDU-UHFFFAOYSA-N 274.776 3.789 30 20 CHED C[C@@H]1CCCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 274827327 LDGAYOJCKDHWBG-LLVKDONJSA-N 291.782 3.866 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCCC1(C)C 274693244 KPDDVSWKRLGUNO-QWHCGFSZSA-N 286.375 3.742 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 461877625 NOAUULWNFXDWMM-LRDDRELGSA-N 298.773 3.705 30 20 CHED CC[C@H](C#N)NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 464283024 NORSTQBANDXSKR-SSDOTTSWSA-N 296.157 3.507 30 20 CHED C[C@@]1(C(=O)Nc2cccc(C#N)c2)CCc2ccccc2C1 463241354 BPYFJGCCOCENDA-LJQANCHMSA-N 290.366 3.692 30 20 CHED C#Cc1ccc(CNc2cccc(-c3cnco3)c2)cc1 373340498 JYYOJGFYFWZWNJ-UHFFFAOYSA-N 274.323 3.935 30 20 CHED C=C(C)CCN[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 639226970 JKIWRQUXJKCLTN-MJGOQNOKSA-N 284.447 3.910 30 20 CHED Cc1nc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)ccc1C#N 288688848 UJAIGAUSLDOZLG-IUODEOHRSA-N 299.418 3.549 30 20 CHED N#Cc1ccc(CN2CCCC[C@@H]2Cc2ccccc2)nc1 551063611 WTQZLYNIFBWNQT-LJQANCHMSA-N 291.398 3.550 30 20 CHED C=CCN(CCc1ccco1)C(=O)CC[C@@H](C)CC 556969026 PFTOEXWEZJQDES-AWEZNQCLSA-N 263.381 3.663 30 20 CHED CC[C@@H](CSc1ccccc1)NC(=O)[C@@](C)(C#N)CC 285784046 OIRYBNVMMWAOKJ-XJKSGUPXSA-N 290.432 3.613 30 20 CHED Cc1ccc([C@H]2CCN(c3cc(C)nc(C#N)c3)C2)c(C)c1 553567972 AKSVTSVUZZHWGK-INIZCTEOSA-N 291.398 3.872 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1OC(C)C 466379158 VUMVEZOYUZMAEM-CYBMUJFWSA-N 276.380 3.950 30 20 CHED Cc1cc(OC(=O)[C@H]2CCCC(F)(F)C2)ccc1C#N 282939222 UPVJUHHJQDASFK-NSHDSACASA-N 279.286 3.598 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 557015118 CSIBLMUCKGUYAB-CQSZACIVSA-N 284.309 3.830 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(OC(C)C)cc1 280720939 UYHCZXUJPWVPOU-WMZOPIPTSA-N 289.419 3.545 30 20 CHED C#Cc1ccc(CN[C@@H](COCC(C)C)c2ccco2)cc1 289326080 UIMVCRQFCVNUEA-SFHVURJKSA-N 297.398 3.764 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@@H](C#N)C1 471590738 OFTAOZKKMDHUJA-KYOSRNDESA-N 296.336 3.918 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H]2CCCC2(C)C)cc1 557061166 DTALDDFPTZBECJ-MRXNPFEDSA-N 287.403 3.694 30 20 CHED O=C1/C(=C\c2ccccc2F)C[C@@H](C(=O)O)c2ccccc21 806559798 FWRMELUQZAUBEY-HMVFGEFZSA-N 296.297 3.664 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2CCO[C@H](C)C#N)cc1 801922657 MUOCNVDWNGJLKA-NUJGCVRESA-N 286.419 3.697 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)C(C)(C)C 808313189 OPXVNHSATXTLKS-ZFWWWQNUSA-N 278.440 3.645 30 20 CHED C=CCCCCCN1C[C@@H](C(=O)O)C[C@@H](C(C)(C)C)C1 1776174426 UASRPVFBVACUKB-LSDHHAIUSA-N 281.440 3.802 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C)c1noc(C)n1 299224908 IVZCMHZBIYXSHL-GFCCVEGCSA-N 263.385 3.507 30 20 CHED CCCN(CC#N)C(=O)c1ccc(C2CCCC2)cc1 290623724 CIWGNVKNGCDLBW-UHFFFAOYSA-N 270.376 3.720 30 20 CHED N#C[C@H](C(=O)c1ccoc1C1CC1)c1nc(C2CC2)cs1 647379339 AKIKDDMMOVIQCO-GFCCVEGCSA-N 298.367 3.981 30 20 CHED C=C(CC)CNC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 645532555 BKQNADLKXKODAM-AWEZNQCLSA-N 298.390 3.580 30 20 CHED C[C@H](C#N)OCCSCc1ccccc1C(F)(F)F 802749894 QQWCITIBAWUFHI-SNVBAGLBSA-N 289.322 3.867 30 20 CHED N#CCCN(CCC#N)CCc1c(Cl)cccc1Cl 295006533 RZYYCOJFRJQPSG-UHFFFAOYSA-N 296.201 3.665 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)NCC2(C#N)CC2)cc1 562437113 UHLZBCHNARPZIR-CQSZACIVSA-N 284.403 3.724 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc2c(c1)OC(=O)C[C@@H]2C 298659682 OWGHKJRLRWESTC-NSHDSACASA-N 288.343 3.607 30 20 CHED CC#CC(=O)Nc1cc(F)ccc1Oc1ccccc1 801149492 NQNHXNRCMFPYOE-UHFFFAOYSA-N 269.275 3.580 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNc2ccc(F)cn2)c1 804459768 ZESSMMUIKDVKKE-AWEZNQCLSA-N 285.322 3.514 30 20 CHED CCOc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c(C)c1 294350259 GMIIOYCJSYJISB-GOSISDBHSA-N 298.386 3.806 30 20 CHED Cc1c(Nc2nc(Cl)c(C#N)s2)cnn1CC(C)C 804587503 QULPZCAFJTYXHQ-UHFFFAOYSA-N 295.799 3.573 30 20 CHED CC[C@H](NCC(C)(C)[C@H](O)C(C)C)c1ccc(C#N)cc1 562498746 KHJZBAIOJPKRMT-DLBZAZTESA-N 288.435 3.642 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)[C@@H]1c1cccnc1 292686189 AZUHWMCTYGQTJX-OAHLLOKOSA-N 283.400 3.598 30 20 CHED CC/C(C)=C/C(=O)Nc1ccc(C(C)(C)C#N)cc1 294173973 ADHVTPXUENOOER-ZRDIBKRKSA-N 256.349 3.783 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)C1CCCCC1 489991526 UNBLPOXDIMYKHS-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccc(C)cc1Cl 488877561 HMAYRVBHJUTBQJ-CQSZACIVSA-N 277.795 3.758 30 20 CHED CC[C@H](CNc1cccnc1C#N)Oc1ccccc1C 562240231 UFBWMVYZCAGSPI-CQSZACIVSA-N 281.359 3.531 30 20 CHED C=CCCC1(c2nc(-c3ccc4cnn(C)c4c3)no2)CC1 561894302 SUYNKOCLWBIVNO-UHFFFAOYSA-N 294.358 3.621 30 20 CHED CC#CCN(C)C(=O)CCCSc1ccc(Cl)cc1 561702104 SLJOOIXXZLQTGR-UHFFFAOYSA-N 295.835 3.694 30 20 CHED COc1ccc(NN=C2CS[C@H](C(C)C)C2)cc1 814885329 WITUMQHIWZOJCK-AWEZNQCLSA-N 264.394 3.625 30 20 CHED C=C[C@@H](CC(=O)N1CCCC(F)(F)C1)c1ccccc1 650316792 RHMIYQWSFWOGOG-ZDUSSCGKSA-N 279.330 3.604 30 20 CHED C=CCCCCOC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 811008430 GSVNOMBIMGOQGA-GFCCVEGCSA-N 277.320 3.598 30 20 CHED Cl/C=C/CON=CCCCCOc1ccccc1 811671526 HAYBPMNJMSAUCY-GXMNMPHMSA-N 267.756 3.991 30 20 CHED C[C@@H]1C(=NOC2CCC2)CCCN1Cc1ccccc1 814936507 WHHRIVGSIOLFJS-CQSZACIVSA-N 272.392 3.596 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NC1CCN(CC(=C)C)CC1 657876680 ZIKRJTYBTGQLIB-WMZOPIPTSA-N 276.468 3.751 30 20 CHED CC(=NOC1CCC1)c1ccc(Br)s1 812236393 LKAZSJHGAZKWRZ-UHFFFAOYSA-N 274.183 3.804 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1cccc(C#N)c1 130486581 SDYFNFCTPLIABB-LBPRGKRZSA-N 258.365 3.503 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 487861026 WGDVXLNJYWDGFW-UONOGXRCSA-N 290.382 3.679 30 20 CHED CCC(C=NNc1ncncc1Cl)(CC)CC 814910275 YJGOKAZIYHYYKJ-UHFFFAOYSA-N 254.765 3.744 30 20 CHED C=CC1CCN(C(=O)CCCc2c(F)cccc2F)CC1 653634011 HMLHCPNRJINXDE-UHFFFAOYSA-N 293.357 3.712 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1cccc(C#N)n1 574214741 KYQNOBMNELGECX-OLZOCXBDSA-N 257.381 3.604 30 20 CHED C=CCOc1cccc(/C=C2\Cc3c(O)cccc3C2=O)c1 810250335 NRWOQBPZIYJXHZ-GXDHUFHOSA-N 292.334 3.779 30 20 CHED CCCC(=NNc1ccc(OC)cc1)c1cccnc1 814885011 ITPGYUCCZNEYER-UHFFFAOYSA-N 269.348 3.707 30 20 CHED CCCCCOc1ccc(OC(=O)CCCC#N)cc1 812824752 JTIWGCWFGFWRRC-UHFFFAOYSA-N 275.348 3.855 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccccc1SC 815311710 VQFACZHYMLOPEQ-UHFFFAOYSA-N 272.316 3.663 30 20 CHED C=C[C@H]1CCCCN1c1nc(-c2ccccc2)ns1 486466040 HEPATZVINGXKTN-ZDUSSCGKSA-N 271.389 3.750 30 20 CHED CC(=NOCCOC(C)C)c1ccc(-c2ccncc2)cc1 812239200 PQGZPFFSYUWNFA-UHFFFAOYSA-N 298.386 3.914 30 20 CHED CCOc1cc(C#N)ccc1OC[C@@H]1CC1(Cl)Cl 727486702 KCJSPNWYGINTJN-JTQLQIEISA-N 286.158 3.530 30 20 CHED C#Cc1ccccc1CC(=O)N(C1CCCCC1)C1CC1 812881982 IUJMXWOMRUMNOY-UHFFFAOYSA-N 281.399 3.534 30 20 CHED CCC(=NNc1ncccc1F)c1ccc(F)cc1F 814927663 ZKNBTLLVJSCIGY-UHFFFAOYSA-N 279.265 3.725 30 20 CHED Cc1[nH]c(=N[C@H](C)c2c(F)cccc2Cl)ccc1C#N 488066199 FJBLFLNSHMNKIT-SNVBAGLBSA-N 289.741 3.649 30 20 CHED C#C[C@@H](NC(=O)N[C@H](C)CCC)c1ccc(Cl)cc1 811853030 YEKLXYBIZSZXNK-BXUZGUMPSA-N 278.783 3.502 30 20 CHED C=CCSCCNC(=O)C[C@@H](c1ccccc1)C(C)C 486072155 VOMZIUHOAKOOAY-MRXNPFEDSA-N 291.460 3.852 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(F)c(F)c2)c1 726435081 YYVJSEBJQPVGAX-UHFFFAOYSA-N 288.322 3.755 30 20 CHED C=CC[C@@H](CO)CN[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 571440559 HELHJFKVICWQGD-RDTXWAMCSA-N 298.430 3.628 30 20 CHED CCC(=NNc1nc(-c2ccccc2)no1)C(C)C 726739502 NVEXVWRMSCJSQT-UHFFFAOYSA-N 258.325 3.571 30 20 CHED Cc1ccccc1[C@@H]([C@@H](C)Nc1ccc(C#N)cc1)N(C)C 584264806 ULAJGQBTDLWBET-DNVCBOLYSA-N 293.414 3.970 30 20 CHED C=CC[C@H]1CCCN(CC(=O)Nc2cc(C)ccc2C)C1 661379045 RGQIZXBUWVEPIQ-INIZCTEOSA-N 286.419 3.530 30 20 CHED C#C[C@H](C)N(C)C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 491670993 PSWYTPOKQFOJOI-YESZJQIVSA-N 293.451 3.622 30 20 CHED C#CCN(C(=O)CCCCOCCC=C)C1CCCCC1 490923833 MICPSQSWAHIJEX-UHFFFAOYSA-N 291.435 3.544 30 20 CHED CCCCCCCC[C@@H](N)c1nc([C@@H]2CCCO2)no1 900012011 PEASJYQGMOZEOC-OLZOCXBDSA-N 281.400 3.672 30 20 CHED CC(C)(C#N)Cc1cccc(-c2cccc3c2CNC3=O)c1 904902242 NOBUUWBHFUQUPD-UHFFFAOYSA-N 290.366 3.689 30 20 CHED N#CCCCCCC(=O)N1CCc2ccc(Cl)cc21 588154786 PNARBORHQQVLCE-UHFFFAOYSA-N 276.767 3.703 30 20 CHED CCCOc1cc(C=NNC(CC)CC)ccc1OC 734364977 OACZQJNGONDGGJ-UHFFFAOYSA-N 278.396 3.596 30 20 CHED CCn1ccnc1C(=O)/C=C\c1ncc(C(C)(C)C)s1 901557379 QSPJEGBRTHAUFX-SREVYHEPSA-N 289.404 3.553 30 20 CHED C=C(CNc1cccc(OC)c1[N+](=O)[O-])c1ccccc1 588840852 WBKPCODJDNJMPC-UHFFFAOYSA-N 284.315 3.729 30 20 CHED N#CC1(CCCCOC(=O)CSC(F)(F)F)CCC1 908894474 WTYOEUYMYFKHFV-UHFFFAOYSA-N 295.326 3.647 30 20 CHED C=C[C@@H](CC)Cc1nc(CCOCc2ccccc2)no1 904091458 JQNSLGRNUAQOPT-AWEZNQCLSA-N 286.375 3.584 30 20 CHED Cc1nc(-c2ccccc2NC(=O)C#CC(C)C)cs1 834815330 HWPSPTRIHHPIFV-UHFFFAOYSA-N 284.384 3.716 30 20 CHED C=CCC[C@H](N[C@@H](C)CCC1CCCCC1)C(=O)O 901693374 SSKQYXUPLSTNSY-ZFWWWQNUSA-N 267.413 3.744 30 20 CHED N#CCCCCCC(=O)OC[C@@H]1CCCCC1(F)F 835632160 DQUHMMVWRHQKJM-LBPRGKRZSA-N 273.323 3.829 30 20 CHED CC(C)(C(=O)[C@@H](C#N)c1nc2ccccc2o1)C1CCC1 835076154 DPYNELLISZWOHO-GFCCVEGCSA-N 282.343 3.830 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2sccc2CC)cc1 581849533 VUOXXUXOOCRDMZ-HNNXBMFYSA-N 298.411 3.868 30 20 CHED C=CCN(CC1CCCCC1)C[C@@H](O)c1ccccc1 732666808 DLCHFOUVQQMARV-GOSISDBHSA-N 273.420 3.788 30 20 CHED CCO[C@@H](c1ccccc1)c1noc(CCCCCC#N)n1 589150771 VFGROQKLCKODEY-INIZCTEOSA-N 299.374 3.822 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)NCC2(C#N)CC2)C1(C)C 580415419 CKDAGKIJMSTJNU-ZDUSSCGKSA-N 291.439 3.536 30 20 CHED C=CCC[C@H](CC)N[C@@H](CCC(=O)O)c1ccccc1 901651835 PWKOHOZWQCEOAJ-HOTGVXAUSA-N 275.392 3.927 30 20 CHED FC(F)(F)c1ccnc(NN=C[C@@H]2CCCSC2)c1 834983840 IGXNQUAWHQDCQJ-VIFPVBQESA-N 289.326 3.641 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)ccc2C)C1(C)C 736428057 RQKXXVIFUZDSPY-OAHLLOKOSA-N 260.381 3.906 30 20 CHED CC(=NNc1cc(C)ncn1)c1ccc2ccccc2c1 731934581 CVBGIAVGWGNZAB-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CCCCCCCCNC(=O)NCc1cc(C)ccn1 836374367 PJHUQOAFCLIGCX-UHFFFAOYSA-N 277.412 3.550 30 20 CHED CCCCCCCCCCC(=O)N1CC(n2ccnc2)C1 733983916 RGZHCLMDXYFPAA-UHFFFAOYSA-N 291.439 3.797 30 20 CHED C#CCNC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 734653825 MLYLDFNZHKDGAE-CQSZACIVSA-N 294.354 3.581 30 20 CHED Cc1cc(C)c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)o1 674300096 ZATMCKOAPIXVPT-AWEZNQCLSA-N 290.322 3.935 30 20 CHED C=CCONC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 837048523 TZVXIZCXWWUTMY-CYBMUJFWSA-N 261.365 3.537 30 20 CHED C=CCN(C(=O)NC1CCC(CSC)CC1)C(C)C 838649317 XAEDMAORWBCRMV-UHFFFAOYSA-N 284.469 3.514 30 20 CHED C#CCCCCCCOC(=O)[C@@H]1CCC(=O)c2ccccc21 835715203 UJNDBPMSHSITMJ-QGZVFWFLSA-N 298.382 3.874 30 20 CHED C=CCN(Cc1cccs1)Cc1nc2c(s1)CCC2 678811547 HLUCGABRCTXVEI-UHFFFAOYSA-N 290.457 3.882 30 20 CHED O=C(C#CC1CC1)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 837693774 WITADTIKXLUIAI-HOCLYGCPSA-N 287.790 3.506 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(F)(F)F)s1 671826019 MQZAXZPLSBOZJL-MRVPVSSYSA-N 277.311 3.851 30 20 CHED CCc1ccc(C(C)=NNc2ccc(Cl)nn2)s1 744595464 ILBCWAZLFNXSQL-UHFFFAOYSA-N 280.784 3.590 30 20 CHED C[C@@H]1C[C@@H](NCCc2ccc(C#N)cc2)c2ccccc21 595055711 IALKGFOBIOXYPQ-AUUYWEPGSA-N 276.383 3.939 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(CC)[C@@H](C)C#N)cc1 598358411 FITUQHVXJIOLHY-KBPBESRZSA-N 272.392 3.503 30 20 CHED C=CCCc1ccccc1NC(=O)N1C[C@H]2[C@H](C1)C2(F)F 844655321 VCWOHFZKOOLKEV-STQMWFEESA-N 292.329 3.534 30 20 CHED CCCCCCCC(=O)N[C@@H]1CC[C@@H](SC)C1 742749875 NLRNGVHMKWGCJD-CHWSQXEVSA-N 257.443 3.747 30 20 CHED CC[C@H](C)C(C)=NNC(=S)Nc1ccccc1F 915920311 DINQJPALQUWMHD-VIFPVBQESA-N 267.373 3.534 30 20 CHED CC1(C)C[C@]1(NCc1cccc(C#N)c1)c1ccccc1 595908040 DXUQMIHHUIBHEX-IBGZPJMESA-N 276.383 3.973 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCc2cc(C(C)(C)C)ccc21 845906723 SQUODVCLAVAJNQ-ZDUSSCGKSA-N 284.403 3.813 30 20 CHED N#CC1(CSCc2cc(F)ccc2OC(F)F)CC1 596383649 DTILRAGOUKSRKW-UHFFFAOYSA-N 287.306 3.964 30 20 CHED C=C[C@@H](C)ONC(=O)N(CCC)[C@@H]1CCc2ccccc21 845633947 PYIYAGYKOZQTLO-CZUORRHYSA-N 288.391 3.602 30 20 CHED CC1(C)CCCCC1=NNc1ncc(Br)cn1 848420495 DIFNFJNTEWPQTJ-UHFFFAOYSA-N 297.200 3.607 30 20 CHED CCN(C(=O)c1coc2ccc(C(C)C)cc12)[C@H](C)C#N 598363034 LXXGGUCVHFKHJQ-GFCCVEGCSA-N 284.359 3.930 30 20 CHED N#CC1(C(=O)Nc2nccc3ccccc23)CCCCC1 597730250 ZWBIXDBTXMOXAT-UHFFFAOYSA-N 279.343 3.647 30 20 CHED C=CCC(C)(C)COC(=O)c1ccc(C(F)F)nc1 847717613 PGKZBAFVOXFRBW-UHFFFAOYSA-N 269.291 3.778 30 20 CHED CC(=NNc1ccc(F)cn1)[C@@H](C)c1ccccc1 746372493 PNHOZZOANHXCAY-LLVKDONJSA-N 257.312 3.812 30 20 CHED COc1cc(C)nc(CSCCc2ccc(C#N)cc2)c1 596353700 ZJGWBZJAWPAFBP-UHFFFAOYSA-N 298.411 3.746 30 20 CHED CC(C)c1ccc(NC(=S)N(C)CC(C)(C)C#N)cc1 840751297 XHQPUVMJUPEBSS-UHFFFAOYSA-N 289.448 3.988 30 20 CHED C/C=C(\C)COC(=O)c1ccc(C(C)(C)C#N)cc1 842846582 PZGTUBOVOAMWIY-LFYBBSHMSA-N 257.333 3.611 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(N=S(C)(C)=O)cc1 848125315 VPAHKCSEKMHQDS-OAHLLOKOSA-N 294.420 3.587 30 20 CHED CC(C)CCOC(=O)[C@H](Oc1ccccc1C#N)C(C)C 918774759 GZOKYLWLYQSCPN-MRXNPFEDSA-N 289.375 3.551 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](C#N)CCc1ccccc1 598461545 JESBQXYBWKWBOP-CGTJXYLNSA-N 298.430 3.939 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)c1cccc(C#N)c1 595539423 MMGWGFNDHICORZ-JFOKOBIRSA-N 297.402 3.592 30 20 CHED Cc1cc(C)cc(CC/N=C/c2ccccc2O)c1 740763893 SNSUEXBVNWPCRH-LDADJPATSA-N 253.345 3.671 30 20 CHED C[C@@H]1CC/C(=C/C(=O)[C@H](C#N)c2nc(C3CC3)cs2)C1 842940697 IPVBETCAZVTURF-QRULVBPYSA-N 286.400 3.943 30 20 CHED C=CC[C@@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)C1 844600710 OCZNTYKFTDTTIG-SNVBAGLBSA-N 276.311 3.668 30 20 CHED C#CCOc1cc(F)ccc1NCc1cc(C)ccc1OC 742375546 FCLFQBXKTBFMIB-UHFFFAOYSA-N 299.345 3.767 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(-c2ccccc2)[nH]1 682386345 SSMJREUKYNLJIC-MRXNPFEDSA-N 269.348 3.618 30 20 CHED Cc1cc(C)c(C=NNc2cc(Cl)nc(C)n2)c(C)c1 741764049 QONGNKZEVQMURV-UHFFFAOYSA-N 288.782 3.810 30 20 CHED C#C[C@H](CCC)NC(=N)Nc1ccc([C@H](C)CC)cc1 849092946 MHERYLPSTQCQNX-UKRRQHHQSA-N 271.408 3.938 30 20 CHED N#CC1(C(=O)OC/C=C\c2ccccc2)CCCCC1 920105019 BXYUVWMDKAAWEH-YFHOEESVSA-N 269.344 3.717 30 20 CHED CC(C)c1ccc(CC/N=C\c2ccc(O)c(O)c2O)cc1 920944216 RMOYSTGANPRBEX-ODLFYWEKSA-N 299.370 3.588 30 20 CHED CC(C)c1nc(CCN[C@@H](C)CC(C)(C)C#N)cs1 924907015 MTQLIRYNNMYLBE-LBPRGKRZSA-N 279.453 3.727 30 20 CHED C=C[C@@H](CC(=O)OCC1(CC#N)CC1)c1ccccc1 759388730 WXFSQEXGUUVWFY-AWEZNQCLSA-N 269.344 3.583 30 20 CHED C=CCCOCCNc1ccc(C(F)(F)F)c(Cl)n1 756949664 CGWBUQLFOFNCBG-UHFFFAOYSA-N 294.704 3.758 30 20 CHED C#C[C@@](C)(CC)NCc1cc(-c2ccc(C)cc2)no1 852098290 JAKUXUIICOANLH-KRWDZBQOSA-N 268.360 3.542 30 20 CHED CN(C(=O)c1ccc(C#N)o1)C1CC(C)(C)CC(C)(C)C1 855568666 KNWDYYQWVRASAU-UHFFFAOYSA-N 288.391 3.828 30 20 CHED CCOc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1O 921263244 ALTBBWULITXFDL-WQLSENKSSA-N 298.313 3.752 30 20 CHED CC(CC(C)(C)C#N)=NNc1cncc(Br)c1 853325465 LBENACNAZIGWFN-UHFFFAOYSA-N 295.184 3.572 30 20 CHED CC(CCc1cccc(F)c1)=NN=c1cc[nH]cc1Cl 756837777 DIDFOCOEIHISCV-UHFFFAOYSA-N 291.757 3.717 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1F)[C@H]1C[C@@H]1C 853396904 SIUFIAJBSDAMFH-WPRPVWTQSA-N 265.288 3.568 30 20 CHED COCc1csc(C=NNc2cc(C)cc(C)c2)c1 853275006 AMJZJXCFDUOWJA-UHFFFAOYSA-N 274.389 3.957 30 20 CHED N#Cc1cc(/C=C2/CCc3ccccc3C2=O)ccc1F 756265343 GYXNRUWHNAKUIE-ZROIWOOFSA-N 277.298 3.910 30 20 CHED C#CCOc1cc(F)ccc1NC1CCC(OCC)CC1 850452500 PTTUIGDQIVHTMD-UHFFFAOYSA-N 291.366 3.597 30 20 CHED CCC(=NNc1nc(-c2ccncc2)no1)C1CCCCC1 750945244 JGPMZCVZCIRXGJ-UHFFFAOYSA-N 299.378 3.890 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(Br)cc1 751525910 HOCOJZNNDNVOLT-LLVKDONJSA-N 297.196 3.664 30 20 CHED Cc1cccc(OC(=O)CC2(C#N)CCCCC2)c1 850744376 XHAARYBBIUHWJG-UHFFFAOYSA-N 257.333 3.765 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1cccc2ccccc12 854249232 ZELWMJCHFMSMRS-CQSZACIVSA-N 265.356 3.676 30 20 CHED CCCCCCCC(=O)NC1(C(F)(F)F)CC1 757389594 NFOJVLMUQUXUET-UHFFFAOYSA-N 251.292 3.558 30 20 CHED C=CCN(C(=O)CC[C@H]1CC1(Cl)Cl)C(C)(C)C 857653368 FIQGOFIBQMKHOZ-JTQLQIEISA-N 278.223 3.774 30 20 CHED Cc1ccccc1C(=NNc1ncccc1[N+](=O)[O-])C1CC1 759201380 MRANBAKBBDMRFF-UHFFFAOYSA-N 296.330 3.524 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2cc(F)ccc2[N+](=O)[O-])c1 752876277 XFTHRRUNQFCWEA-DAXSKMNVSA-N 296.257 3.502 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ncsc1C(C)C 936021532 WSBNDEBSMHJMBU-UHFFFAOYSA-N 285.372 3.699 30 20 CHED CC(=NNc1ncc(F)cn1)c1cccc(C(C)C)c1 863106073 KYAZOVKTPWHWPU-UHFFFAOYSA-N 272.327 3.575 30 20 CHED CCCCCCCC(=O)O[C@@H]1Cc2ccccc2C1=O 769985561 ATSDCTUBUWUYIS-OAHLLOKOSA-N 274.360 3.698 30 20 CHED C[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](C#N)C1 932155011 VCSSDBBOWRXPRT-RYUDHWBXSA-N 293.208 3.746 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(F)c2)ccc1C#N 766486248 YWSNWXBNJSPPNO-SOFGYWHQSA-N 265.287 3.902 30 20 CHED CCC(CCc1ccccc1)=NN[C@H](C)C(F)(F)F 863116312 MGYYVJNTWDSRBU-LLVKDONJSA-N 272.314 3.926 30 20 CHED CC#CCOc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 766743605 AMTZSXPKDUMYCB-ZDUSSCGKSA-N 289.375 3.674 30 20 CHED Clc1cncc(NN=C2C[C@H]3CCCc4cccc2c43)n1 763353440 DCMSVYITOABTCH-LLVKDONJSA-N 298.777 3.770 30 20 CHED COc1cccc(NN=C(C)c2csc(C(C)C)n2)n1 768781346 ALYUYBQASKJJJE-UHFFFAOYSA-N 290.392 3.506 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1cncc(Cl)n1 766689812 GGDMAIGICYDCOB-SNVBAGLBSA-N 286.766 3.762 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C/c2cccnc2)CCCC1(C)C 767218872 LTTGXQSVUMGROM-SCOAYWHSSA-N 284.403 3.688 30 20 CHED CON=Cc1sc(Nc2ccccc2OC)nc1Cl 767490006 HSSBIDXGSAAQFL-UHFFFAOYSA-N 297.767 3.529 30 20 CHED C=CCOc1ccc(COC(=O)c2ccoc2C)cc1 763642247 SLSHIQUXUUISMH-UHFFFAOYSA-N 272.300 3.510 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2)c2ccccc21 767142000 QFIGMWANLPJXJU-GOSISDBHSA-N 289.378 3.969 30 20 CHED C#CC[C@@H](CCOC)N[C@@H](C)c1cc2ccccc2o1 862547871 RLJCQHKXBQWWDK-ZFWWWQNUSA-N 271.360 3.512 30 20 CHED CC(Cc1ccncc1)=NNc1cc(C)ccc1C 767759553 PFJKMWLCYJRBFE-UHFFFAOYSA-N 253.349 3.729 30 20 CHED CC(CCc1ccsc1)=NNc1cncc(Cl)n1 764905433 NPJNDYAOQOGNDN-UHFFFAOYSA-N 280.784 3.612 30 20 CHED CCOC(=O)[C@H]1CCC(=NOCc2ccccc2)[C@H](C)C1 761253834 LDAIGDCYZXCQOK-HIFRSBDPSA-N 289.375 3.559 30 20 CHED C=CCC1(c2nnc([C@@H]3COc4ccccc4O3)o2)CCC1 1118076523 OKCTYEDMDKZIHH-AWEZNQCLSA-N 298.342 3.580 30 20 CHED Cc1ccnc(NN=C2CCCOc3cc(C)ccc32)c1 763178953 IKUUHEHDXAKIAH-UHFFFAOYSA-N 281.359 3.687 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)OCCC(C)(C)C#N)cc1 778876203 BHQVWCKPYXMWJI-CQSZACIVSA-N 273.376 3.657 30 20 CHED CCOCCON=C(C)CCc1c[nH]c2ccccc12 872366516 CUKBZXOZKVGMAU-UHFFFAOYSA-N 274.364 3.530 30 20 CHED C#CCCCCCC(=O)N(CCC)Cc1ccc(C#N)cc1 779818428 YTTLMUOFRJRJDL-UHFFFAOYSA-N 296.414 3.881 30 20 CHED C=C(C)CCN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 775588226 AOLXOAUQHIBXNF-HNNXBMFYSA-N 296.455 3.532 30 20 CHED N#Cc1ccc(CC(=O)O[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 771012805 WIEZYPVFCVSFNT-IXDOHACOSA-N 283.371 3.613 30 20 CHED CCC(CC)CN(CCC#N)C(=S)NC(C)(C)CC 774177656 SQRYFCQKWFBCNU-UHFFFAOYSA-N 283.485 3.701 30 20 CHED CC(C)CC1CCN(C(=O)Cc2ccccc2CC#N)CC1 776979399 HVTMOPLCSFYSQI-UHFFFAOYSA-N 298.430 3.580 30 20 CHED COc1cc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)ccc1SC 774592947 IPYYSESKBCWBFZ-FPMFFAJLSA-N 290.432 3.529 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1sccc1O 773148019 GIEIJGLFOLPODD-PLNGDYQASA-N 296.294 3.951 30 20 CHED C[C@H](C(=O)OCC1(C#N)CC1)c1ccc2ccccc2c1 775865253 ZODABCBWFPKMCU-ZDUSSCGKSA-N 279.339 3.790 30 20 CHED CCc1cccnc1C(C)=NNc1cc(Cl)ccn1 779783120 HFZOOFXEEVBDIL-UHFFFAOYSA-N 274.755 3.529 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@H]3CCC[C@@H]3C2)s1 771015470 MJSKBWLCXNYMQN-IJLUTSLNSA-N 275.373 3.745 30 20 CHED C[C@@H](CC#N)OC(=O)c1cccc(Nc2ccccc2)c1 1122406759 QPJURGWNZXQJOO-ZDUSSCGKSA-N 280.327 3.889 30 20 CHED C(=NOC1CCCCC1)C1=Cc2ccccc2OC1 777456717 FRMAZFUMGFJKSX-UHFFFAOYSA-N 257.333 3.798 30 20 CHED C#CCCCCC(=O)N(CC)c1ccc(CC)cc1 773231012 FPMWLWUVGZSVOM-UHFFFAOYSA-N 257.377 3.796 30 20 CHED C/C=C(/CC)C(=O)[C@H](C#N)c1ccc2ccccc2n1 789337703 YBWLGLQWWYFFAM-BOTKQDERSA-N 264.328 3.767 30 20 CHED C=CC(C)(C)CC(=O)NCC[C@H]1CCc2ccccc2N1 884385336 JTEWXIRYZBHJFN-OAHLLOKOSA-N 286.419 3.522 30 20 CHED Fc1cc(NN=Cc2cccc(-c3cccnc3)c2)ccn1 781127779 PXOVKYXQLWVKCN-UHFFFAOYSA-N 292.317 3.729 30 20 CHED CCCC[C@@H](C(=O)N(CC)[C@H](C#N)CC)C(C)C 1134426219 XKYXICFWRXYMKO-UONOGXRCSA-N 252.402 3.599 30 20 CHED CSc1ccc(C(C)=NN[C@@H]2CCOC(C)(C)C2)cc1 780251588 VUUYMNPIWHTDJL-CQSZACIVSA-N 292.448 3.680 30 20 CHED C#CCCCCCC(=O)Nc1c(F)cccc1NC1CC1 780957231 XGNNJJXDLBLYDO-UHFFFAOYSA-N 288.366 3.922 30 20 CHED CC(=NNC1CCCC1)c1cc(Br)cs1 782222138 SIAQNMYJJJWLRK-UHFFFAOYSA-N 287.226 3.767 30 20 CHED CC(C)C[C@H](C)C=NNc1ncnc2sccc12 799107104 AODRUWVCPJWCSU-JTQLQIEISA-N 262.382 3.771 30 20 CHED CCCCCCCCCNC(=O)c1snnc1CC 891599359 JLQDXCURUBKKFR-UHFFFAOYSA-N 283.441 3.581 30 20 CHED N#Cc1cc(C(=O)OCc2ccc(Cl)s2)ccc1F 792305017 HZSHKYZGJKUHDZ-UHFFFAOYSA-N 295.722 3.769 30 20 CHED Cc1ncc(C=NN[C@@H](C)C(C)(C)C)n1-c1ccccc1 793118051 ZVRRUVXCEXPIJW-ZDUSSCGKSA-N 284.407 3.539 30 20 CHED CCCCCCCC[S@](=O)c1cccc(O)c1 790212316 ULQWSLZDBDJPOP-KRWDZBQOSA-N 254.395 3.860 30 20 CHED C=CC1CCN(c2nccc(C)c2Br)CC1 553388339 YYXXTPFDCCLAFH-UHFFFAOYSA-N 281.197 3.555 30 20 CHED Cc1ccc(NCc2ccc(C#N)c(F)c2)cc1C 190329124 ZMHCVOGFHCZEJL-UHFFFAOYSA-N 254.308 3.926 30 20 CHED COc1ccccc1/C=C/C(=O)c1cc(C)c(C)o1 799896983 MJPYYCOULFJYIL-CMDGGOBGSA-N 256.301 3.801 30 20 CHED Fc1cc2nc(NN=C3CCC34CCC4)[nH]c2cc1F 799874389 JZGKOZALWDFDTC-UHFFFAOYSA-N 276.290 3.573 30 20 CHED C/C(=C/Cl)CSc1ncc(C#N)cc1Cl 797830630 XVKGVHLBOAVCIC-CLTKARDFSA-N 259.161 3.841 30 20 CHED Cn1cccc1C=NNc1cc(Cl)cc(Cl)c1 790201904 MTRUVPFGKZBOCS-UHFFFAOYSA-N 268.147 3.778 30 20 CHED Cc1cccc(F)c1CN[C@@H](C)c1ccc(C#N)cc1 743484387 OPGOIGPMLLXUDK-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](C)c1c(F)cccc1F 797889853 SWRZPHLMHXJZBO-SECBINFHSA-N 291.253 3.656 30 20 CHED CCCNc1ccc(C#N)cc1NCc1ccc(C#N)cc1 795266729 BHRDCVWEQAZENB-UHFFFAOYSA-N 290.370 3.864 30 20 CHED CCc1ccccc1NN=Cc1ccc(C#N)c(OC)c1 799476011 RSAKZGWDXGTVKH-UHFFFAOYSA-N 279.343 3.575 30 20 CHED Cc1cc(C)c([C@H](C)OC(=O)c2ccc(C#N)o2)c(C)c1 796143090 DCBWWVJFUAUDSX-ZDUSSCGKSA-N 283.327 3.995 30 20 CHED CCc1occc1C(=O)O[C@H](C)c1cccc(C#N)c1 797487508 JUISIXBMZFTRAR-LLVKDONJSA-N 269.300 3.632 30 20 CHED C[C@H]1COCCC1=NNc1ccnc2cc(Cl)ccc12 794457023 ZMDIOQGCROPHMK-JTQLQIEISA-N 289.766 3.713 30 20 CHED C[C@H](CC#N)N[C@H](C)c1ccc(Cl)c(Cl)c1 68607790 ONIQGVUYDYMXPQ-RKDXNWHRSA-N 257.164 3.946 30 20 CHED Cc1ccc(C(=O)N(C)C[C@H](C)c2ccccc2)cc1C#N 799329528 BXZFTJNKIRFXHM-HNNXBMFYSA-N 292.382 3.742 30 20 CHED CC(C)C[C@H](C)C=NNc1nc2ccccc2n1C 799108474 CANZIVZEIDQIPY-LBPRGKRZSA-N 258.369 3.653 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccsc1Cl 597161110 QGASICASMUKIQF-UHFFFAOYSA-N 284.812 3.803 30 20 CHED CCC1(C(=O)Nc2cc(C#N)ccc2C)CCCC1 94901761 YTBUVORXTSJSPV-UHFFFAOYSA-N 256.349 3.776 30 20 CHED CCN(Cc1ccc(Cl)cc1)c1ccc(C#N)c(C)n1 1162302829 CLWBQJPFAASGDU-UHFFFAOYSA-N 285.778 3.942 30 20 CHED COc1cc(C(C)=NOC(C)(C)C)ccc1SC 1319577056 KJPLDLWGXMHXIO-UHFFFAOYSA-N 267.394 3.956 30 20 CHED Cc1nc(N2CCCCC2)sc1C=NOC(C)(C)C 1319584572 YGFPGNHRXYTXQL-UHFFFAOYSA-N 281.425 3.591 30 20 CHED Cn1ccc(NN=C2CCCc3c2sc2ccccc32)n1 1326241440 HTFAULBZDWAFBD-UHFFFAOYSA-N 296.399 3.787 30 20 CHED Cc1ccc(CN(CCO[C@@H](C)C#N)CC(C)C)c(C)c1 1171446815 RQOLYFKPQRSRMS-KRWDZBQOSA-N 288.435 3.690 30 20 CHED CCOc1ccc(Sc2cc(C)c(C#N)cn2)cc1 1184681636 QSZRQFSHEYDTKZ-UHFFFAOYSA-N 270.357 3.812 30 20 CHED Cc1ncsc1CSCCOc1ccccc1C#N 1330037139 UWLGCOPXAFRJBK-UHFFFAOYSA-N 290.413 3.635 30 20 CHED Cc1nc(N(C)[C@H]2CCC[C@@H]2C(C)(C)C)ccc1C#N 1186747542 JOCCRJSSXIBWMH-GJZGRUSLSA-N 271.408 3.913 30 20 CHED C=C1CCC(c2nc(Cc3ccc(Cl)nc3)no2)CC1 1338365013 XHEKLQGSHURBPW-UHFFFAOYSA-N 289.766 3.923 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](C)Cc1ccc(OC)cc1 1333022652 NCBOTUSSPQTGEI-CQSZACIVSA-N 289.419 3.687 30 20 CHED CCOCc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 1333653067 DPQOXUHXKCSARE-ZDUSSCGKSA-N 260.381 3.963 30 20 CHED CCCC(=NNC(=S)NC(C)C)C1CCCCC1 1251555192 FFAWZKJKUUYAMD-UHFFFAOYSA-N 269.458 3.595 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](CC)CC(F)(F)F 1337550633 KUCIOSFHBOOVCN-RYUDHWBXSA-N 277.330 3.922 30 20 CHED COc1cc(O)ccc1/C=C1\C(=O)c2ccccc2[C@H]1C 1346995766 JQKRGUNPGOWQCR-WIWNTQSISA-N 280.323 3.784 30 20 CHED N#Cc1cccc(-c2nnc([C@H]3CCCCS3)o2)c1 1261570608 XOVHCVGYEAGUEO-GFCCVEGCSA-N 271.345 3.566 30 20 CHED C=C(C)CCC(=O)N(C)c1ccccc1Br 1349751741 VJYIRAPXKWGYPB-UHFFFAOYSA-N 282.181 3.768 30 20 CHED C=C(C)CCC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 1357812551 STQMOXSBEFVMHP-NVXWUHKLSA-N 291.366 3.518 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CC12CC3CC(CC(C3)C1)C2 1289299114 SYAPEKQXVWJWEZ-QFQXCOSMSA-N 288.435 3.744 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@H]1CCc2cc(F)ccc21 1515016635 BOWMOTRHURLPMG-HNNXBMFYSA-N 298.292 3.505 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@@H]1C[C@H]1C)c1cccs1 1515587304 FUZVEYOIAXYONG-UZWSLXQKSA-N 263.362 3.538 30 20 CHED CS[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 222692162 WVVQNHMLPOAQPG-APHBMKBZSA-N 274.433 3.883 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(C(C)C)on1 1526797926 CWRVTTIGPIWILO-LBPRGKRZSA-N 277.368 3.761 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)c1ccccc1CC#N 1290138657 QLTQIOIQKHHOGF-UHFFFAOYSA-N 298.773 3.678 30 20 CHED C=C(C)CCNc1ccc(Br)c(C(=O)O)c1 1602760878 LKSQCRKCJGZKBL-UHFFFAOYSA-N 284.153 3.525 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)c1ccccc1F 1609556808 LTFLEDCNNJIVGD-UHFFFAOYSA-N 286.306 3.668 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1535439252 FXLDRXVCURWPTO-PWSUYJOCSA-N 292.329 3.991 30 20 CHED N#Cc1ccc(C(=O)Nc2cscc2Cl)c(F)c1 1533985820 UENJZSIUHQEYMX-UHFFFAOYSA-N 280.711 3.665 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C(=O)O)cc2)ccc1C 1610293356 GBAWXNWOPRHRRC-YHYXMXQVSA-N 296.322 3.598 30 20 CHED CCSCc1ccc(Nc2cccc(C#N)n2)cc1 1472785344 OXEDQFWCCODIGL-UHFFFAOYSA-N 269.373 3.950 30 20 CHED N#CCc1cccc(Nc2nc3cccc(F)c3o2)c1 1472785039 KWOWHGPGAVAYSM-UHFFFAOYSA-N 267.263 3.777 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1nc2cnccc2s1 1614700320 WOEJGNMMSYCZBZ-LBPRGKRZSA-N 297.408 3.918 30 20 CHED C=CCNc1nnc(SCc2ccc(C)cc2)s1 5783062 QUBGNMAWZYEYTO-UHFFFAOYSA-N 277.418 3.737 30 20 CHED Cc1ccc2c(c1)CCN(Cc1ccc(C#N)c(C)c1)C2 1621400016 UUGFDOKEPQIVBH-UHFFFAOYSA-N 276.383 3.733 30 20 CHED N#Cc1cnc(Sc2cccc(Cl)c2)c(F)c1 1559090829 QNMBAFKZNXRERE-UHFFFAOYSA-N 264.712 3.897 30 20 CHED CC(C)C[C@@H]1CCCCN1CCOc1cccc(C#N)c1 1559624846 CRVNOBFBJJDWLZ-KRWDZBQOSA-N 286.419 3.838 30 20 CHED CC[C@@H](C#N)C(=O)NCC1(c2ccccc2C)CCCCC1 1632007778 KTAKNJZUAAZCEF-INIZCTEOSA-N 298.430 3.863 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(CC#N)cc2)cc1 1562067047 YZOFDIZMYZIFEB-UHFFFAOYSA-N 279.343 3.729 30 20 CHED C#CCCCCNCc1ccc(-c2ccc(F)cc2)o1 229742886 IPTTZCHMAJPYPZ-UHFFFAOYSA-N 271.335 3.979 30 20 CHED Cc1cc(Cl)cnc1NCc1cccc(F)c1C#N 1652564645 ZBAZDLCKRXBLDQ-UHFFFAOYSA-N 275.714 3.666 30 20 CHED Cc1ccccc1C[C@H]1CCCN1C[C@@H](C)CCC#N 1658987251 YUDGJNOGJUFDTE-MAUKXSAKSA-N 270.420 3.942 30 20 CHED Cc1cc(NCc2oc3ccccc3c2C)ncc1C#N 1650752930 QURYMTMJJYKCKB-UHFFFAOYSA-N 277.327 3.928 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1cccc(C#N)n1 1651742085 OHOPOXXJWXAGAV-IBGZPJMESA-N 293.414 3.715 30 20 CHED C=CCCc1ccccc1NCc1ccc(C(=O)O)cn1 1588817182 CLLGVWPVZOSBOJ-UHFFFAOYSA-N 282.343 3.511 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](CC)C1 1593808075 NZJDJRYRWOEZPR-DGCLKSJQSA-N 296.846 3.780 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@@H]2c2ccccc2)cc1F 1776075242 WTHLHMNPVLOBCP-CYBMUJFWSA-N 298.317 3.869 30 20 CHED Cc1c(NN=C2CCC(C)(F)CC2)cccc1C(=O)O 1776089545 XRVFBSVNWDATLK-UHFFFAOYSA-N 278.327 3.763 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ccc(C(=O)O)c(F)c1 1776073656 GMWMYWXDYFIGRA-UHFFFAOYSA-N 298.317 3.595 30 20 CHED C=CCCCCCCCCCNc1cnc(C(=O)O)cn1 1776172495 PMTNZZQAGJIJQO-UHFFFAOYSA-N 291.395 3.894 30 20 CHED N#Cc1ccc(NCCCCCCO)cc1C(F)(F)F 134658703 JVGMCFBHPDYIJE-UHFFFAOYSA-N 286.297 3.542 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(/C=C/C(=O)O)o1 1777477222 KFPNLKISGBWVMC-YDFGWWAZSA-N 288.324 3.643 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H](C)Oc1ccccc1C 150950948 KMIMZFRQCYXVMZ-OAHLLOKOSA-N 287.403 3.647 30 20 CHED Cc1cc(F)ccc1NC(=O)/C=C\c1ccccc1C#N 205516599 QXWLVTKXQOONSU-TWGQIWQCSA-N 280.302 3.658 30 20 CHED CCN(C(=O)C[C@@H](C)C(C)C)c1ccc(C#N)cc1 152169092 YLDFKCRFCSZHKH-CYBMUJFWSA-N 258.365 3.593 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2=CCCC2)cc1 157159999 PCLKECYCZNJKAG-MRXNPFEDSA-N 282.387 3.775 30 20 CHED COc1ccc(/C=C2/COc3ccccc3C2=O)cc1C 207520331 AHJCHJYGFFXSSA-UVTDQMKNSA-N 280.323 3.662 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)cc1 209250589 BHZPRFMVMLECSF-CLTKARDFSA-N 283.714 3.813 30 20 CHED N#CCOc1ccc(NCCC2CCCCC2)cc1 125029854 YDDJPRGKZYIAQP-UHFFFAOYSA-N 258.365 3.971 30 20 CHED C[C@H]1C[C@H](C)N(c2ccc(C(F)(F)F)c(C#N)c2)C1 128013110 IETHBQYEHYPHSE-UWVGGRQHSA-N 268.282 3.812 30 20 CHED CCCSC[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 893076434 AZUOOYKJORZMOO-OLZOCXBDSA-N 262.422 3.741 30 20 CHED C[C@@H]1CCCCN1c1ccc(C#N)c(C(F)(F)F)c1 35994562 VGJJKTNTZNQCIE-SNVBAGLBSA-N 268.282 3.956 30 20 CHED C[C@H](CC(=O)NCc1ccc(C#N)cc1)CC(C)(C)C 48346702 CUVSRGKYINDIKX-CYBMUJFWSA-N 272.392 3.637 30 20 CHED C=CCN(Cc1ccccc1)C[C@H](O)c1ccccc1F 75655597 YTFFWGZZBHXSFS-SFHVURJKSA-N 285.362 3.547 30 20 CHED CCC[C@H](NCc1ccc(OC)c(C#N)c1)C1CCC1 324863533 AUUPOHYYRHDEJO-INIZCTEOSA-N 272.392 3.625 30 20 CHED CN(C(=O)c1cc(F)cc(Cl)c1)c1ccccc1C#N 336560168 VTGHVVWWLKIGPW-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H]1C[C@H]2CC[C@H]1O2 450889045 PMNOVAMSTZSAHG-RCCFBDPRSA-N 271.404 3.632 30 20 CHED N#CCc1ccc(CN2CCC[C@@H]2C2CCC2)cc1 343524158 ISUKBRAKRDAGAI-QGZVFWFLSA-N 254.377 3.517 30 20 CHED CC1(C)[C@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]21 380388390 WVIZZPYUDRGWLC-BETUJISGSA-N 280.293 3.669 30 20 CHED CSCCCOc1ccc(C#N)c2ccccc12 382851888 JUDKSAIHUJDQBQ-UHFFFAOYSA-N 257.358 3.843 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NOCc1ccccc1 814791103 BCEGIUBEUIIPET-CQSZACIVSA-N 256.349 3.909 30 20 CHED CSc1ccc(C=NNCc2ccccc2)s1 814751177 GWDOWWYKRCYDSI-UHFFFAOYSA-N 262.403 3.594 30 20 CHED N#Cc1cc(F)c(N2C3CCC2CC3)cc1Br 398957762 WRVLQTGRZYQERP-UHFFFAOYSA-N 295.155 3.591 30 20 CHED CCCCC[C@@H](C)Nc1ncc(C#N)cc1Cl 734141053 CLTHHZUODAYDOK-SNVBAGLBSA-N 251.761 3.987 30 20 CHED N#CCCCOC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 171770635 NFPPDHAAUQFFIP-DLBZAZTESA-N 279.339 3.790 30 20 CHED COc1ccccc1/C=C/C(=O)c1cccc(F)c1 57435475 WRUPOAVSNJXLQU-MDZDMXLPSA-N 256.276 3.730 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](CC)c2nc(C)cs2)c1 104989201 DQIFNGXKSBJLPI-CQSZACIVSA-N 299.399 3.706 30 20 CHED CCOc1ccc(Oc2cccc(F)c2C#N)cc1 57652341 VHRGSIIGGBJODG-UHFFFAOYSA-N 257.264 3.888 30 20 CHED Cc1cc(C)cc(COC(=O)c2ccccc2CC#N)c1 23474824 CMAZRCMRWAUATR-UHFFFAOYSA-N 279.339 3.727 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1 179410824 WVPQANKOGUHXKK-SOFGYWHQSA-N 287.746 3.778 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCCCCC#N 170883287 QJOQGUYDIAZVKA-HUUCEWRRSA-N 279.428 3.584 30 20 CHED C[C@H](c1ccccc1)[S@](=O)CCCC(C)(C)C#N 178097238 MHOZPUBCXFAQAA-FZKQIMNGSA-N 263.406 3.826 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)CC1CCCC1 110842473 VAOBWYFZUOKWDY-SFHVURJKSA-N 284.403 3.598 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1ccc(O)c(Cl)c1 119276073 QUKCSBUBBMBZGZ-GQCTYLIASA-N 277.707 3.547 30 20 CHED CCCC(=O)Nc1ccccc1S[C@@H](C)CC#N 66802366 FWMKSFFRMRUKTK-NSHDSACASA-N 262.378 3.819 30 20 CHED CC[C@H](NCCCSCC#N)c1ccc(F)cc1F 179638488 YSSKFHNQBFRGBQ-AWEZNQCLSA-N 284.375 3.652 30 20 CHED C=CCCC(=O)[C@@H](C#N)C(=O)Nc1ccc(CCCC)cc1 113652950 HIGNHMPASWKOHD-MRXNPFEDSA-N 298.386 3.643 30 20 CHED CO[C@@H](C)c1nc(CO/N=C/c2ccc(C)cc2)cs1 177540413 LCTULPPQFBNAAU-WIJRQFRKSA-N 290.388 3.710 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)c1cc(C#N)cs1 178101843 MLCYLGGOQZGESM-CYBMUJFWSA-N 276.405 3.661 30 20 CHED Cc1cccc(C)c1OCCNCC(C)(C)CCC#N 174293382 YIDNLMVELTVSOM-UHFFFAOYSA-N 274.408 3.602 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](COC)C1 112940557 GQJAUXLEVDGHFA-OAHLLOKOSA-N 269.429 3.622 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc2[nH]c(C)cc2c1 113308180 NVZFEVWIHYHHEL-CQSZACIVSA-N 299.418 3.701 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(C)cc1 23434160 SQSDNQOYRPROKZ-QGZVFWFLSA-N 278.355 3.748 30 20 CHED N#Cc1cccc(C#N)c1Sc1ccccc1F 302843238 MVQQWHVKUFRYTP-UHFFFAOYSA-N 254.289 3.720 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 408384834 INNQTKMYACECLX-CQSZACIVSA-N 291.439 3.538 30 20 CHED C[C@H]1Cc2ccccc2CN1CC(C)(C)CCC#N 179911696 ZENXWYJJQBHXMI-AWEZNQCLSA-N 256.393 3.763 30 20 CHED CC(C)[C@@H](C)NC(=O)CS[C@H](C)c1ccc(C#N)cc1 118445686 NGZVFNKQUHMBID-CHWSQXEVSA-N 290.432 3.513 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 116805018 DDFHJAHZNQMUGU-IJEWVQPXSA-N 264.413 3.647 30 20 CHED CC(C)Oc1ccc([C@@H](C)Nc2cccc(C#N)n2)cc1 301807849 AQUZWLKEIFGKNF-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C=CC[C@H](C)NC(=O)c1sc2ccc(OC)cc2c1C 173800277 QGDWBXXTKHAPEQ-JTQLQIEISA-N 289.400 3.913 30 20 CHED C=CCN(C)Cc1cccc(NC(=O)OC(C)(C)C)c1 121474969 ZOJNQNRKIWMXSM-UHFFFAOYSA-N 276.380 3.651 30 20 CHED CC(C)[C@H]1OCCC[C@H]1CNc1ccc(F)cc1C#N 301600796 VDTPIOHMSCTVCG-BLLLJJGKSA-N 276.355 3.560 30 20 CHED C=CCN(CC=C)Cc1cc(F)ccc1Br 303249693 MTMJKQHBYFOYJL-UHFFFAOYSA-N 284.172 3.762 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](C)Sc1ccccc1Cl 183935528 KIXSQLTVNNRULC-GHMZBOCLSA-N 296.823 3.629 30 20 CHED N#Cc1cc(N2CCC[C@H]2C2CCCC2)ccc1[N+](=O)[O-] 127961756 YSUJORFDAJATCR-HNNXBMFYSA-N 285.347 3.625 30 20 CHED CCOc1ccc(/C=C2/Cc3ccccc3C2=O)cc1 33682191 ZSHFPJLKENMPIN-PTNGSMBKSA-N 264.324 3.908 30 20 CHED COc1cccc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@H]2C)c1 213220088 MFXRGILJYYPMMM-YWEFTTLKSA-N 298.313 3.923 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1C 186315237 FMZIGMHWAJGHKC-GOSISDBHSA-N 279.387 3.845 30 20 CHED Cc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1ccccn1 126066118 HOGMESWABPSQCY-ZDUSSCGKSA-N 270.719 3.534 30 20 CHED C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CCC1 128411912 ZQCQMSKKWGZWRF-CJNGLKHVSA-N 285.391 3.519 30 20 CHED Cc1c(NCC(C)(C)CCC#N)cnn1-c1ccccc1 180358714 WRRMVTQKYUJJFL-UHFFFAOYSA-N 282.391 3.923 30 20 CHED N#CC1CCN(CCCc2ccccc2Cl)CC1 181643313 UASCBUUMVOJPGE-UHFFFAOYSA-N 262.784 3.508 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc3c(c2)CCO3)c1 211139779 DERJMSWUMLTSNF-VURMDHGXSA-N 294.350 3.916 30 20 CHED C=CCC[C@@H](NCCCSc1nccs1)C1CC1 121250318 NLWIETKQDZQSNU-CYBMUJFWSA-N 282.478 3.960 30 20 CHED CCCOc1ccc(NC(=O)N(C)[C@@H](C)CC#N)c(C)c1 120175247 TUJXELCTGZFNDF-ZDUSSCGKSA-N 289.379 3.550 30 20 CHED Cc1cc(C)cc(NC(=O)CSc2ccc(C#N)cc2)c1 509667051 NJVZHZAVHWWLRZ-UHFFFAOYSA-N 296.395 3.906 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(CC)nc2ccccc12 180474609 PJRSPEOUTHRJCH-ZDUSSCGKSA-N 298.386 3.717 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc(C)cc2c(C)ccnc12 410835543 OCCKRKHMMMJSFN-CQSZACIVSA-N 295.386 3.616 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3ccccc3OC2)c(F)c1 509499739 IFDVOSKXORAMFE-CQSZACIVSA-N 282.318 3.503 30 20 CHED COc1ccc(/C=C\C(=O)c2cccs2)c(OC)c1 33409436 FSCVMQMQVJOKED-VURMDHGXSA-N 274.341 3.661 30 20 CHED CC1(C)CCCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C#N 444732027 VWDABUODBUADGM-OAHLLOKOSA-N 287.794 3.726 30 20 CHED CC[C@@H]1c2ccsc2CCN1CCCSCC#N 74981772 NSWRQEIFAIBTBF-CYBMUJFWSA-N 280.462 3.704 30 20 CHED C=CCC1(C(=O)NCCCSCC(C)C)CCC1 189777272 XSAHKFQHGIRAFF-UHFFFAOYSA-N 269.454 3.628 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc3nccn23)s1 180310841 PDGUGLNOSFHADM-SOFGYWHQSA-N 282.368 3.854 30 20 CHED C=CCc1cc(CN(C)[C@H](C)C(C)C)cc(OC)c1O 507250999 FBFDSWYDPHYBAD-CYBMUJFWSA-N 277.408 3.606 30 20 CHED C=C[C@H]1CCCCN1Cc1ccn(C(CC)CC)n1 489514863 RARUJXJSWRVMSW-INIZCTEOSA-N 261.413 3.785 30 20 CHED C=CCN(Cc1ccncc1)Cc1ccc(Cl)s1 72951236 DNNJZUZJJGTIMN-UHFFFAOYSA-N 278.808 3.985 30 20 CHED C#Cc1cccc(Nc2nc([C@@H]3CCCOC3)cs2)c1 183880860 VLUBGYIGHQAPMY-CYBMUJFWSA-N 284.384 3.762 30 20 CHED CC1(C)C[C@@H](Nc2ncc(C#N)cc2F)c2ccccc21 413194611 BTCQVCVZOWSMPK-OAHLLOKOSA-N 281.334 3.927 30 20 CHED C=CCCS(=O)(=O)N[C@@H](c1ccccc1C)C(C)(C)C 121334486 RGEQSRXTNXDPRB-HNNXBMFYSA-N 295.448 3.578 30 20 CHED N#Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 503345473 NQSCRSYARMLTLD-UHFFFAOYSA-N 298.773 3.574 30 20 CHED C=C(C)CS[C@H](C)C(=O)N1CCCc2ccccc21 79353218 YKZKWDDJROEEPL-CYBMUJFWSA-N 275.417 3.664 30 20 CHED C=CCc1ccc(OC(=O)CC2CCC2)c(OC)c1 76813870 QRFXADJEQGQBIX-UHFFFAOYSA-N 260.333 3.519 30 20 CHED COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C#N)cc1 75462331 HCDFZYSXLYITFN-CYBMUJFWSA-N 294.354 3.699 30 20 CHED Cc1cc(C)cc(CCC(=O)N(CC#N)c2ccccc2)c1 180044187 WJOXHNGCRPPYOM-UHFFFAOYSA-N 292.382 3.793 30 20 CHED C[C@H]1CCC[C@H](CNc2c(C#N)nnc3ccccc23)C1 226142522 BHMOHJYPXRZWNV-STQMWFEESA-N 280.375 3.740 30 20 CHED C=CCOc1cccc(CNCC(C)(C)OCC2CC2)c1 414518291 UPBCHZRFVRNQSY-UHFFFAOYSA-N 289.419 3.546 30 20 CHED C#CCOC(=O)c1ccc(-c2nc3ccccc3s2)s1 42362270 QEDWTCZQCREBRA-UHFFFAOYSA-N 299.376 3.815 30 20 CHED CC[C@@H]1CCCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1O 48456625 MACFBDYGLCYGAX-MDHSVXEESA-N 276.336 3.688 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(C)Cc2cccc(C#N)c2)c1 133248278 UOFGPHNYXJWJLD-OAHLLOKOSA-N 292.382 3.629 30 20 CHED COc1ccc([C@@H](NCC(C)(C)CC#N)C(C)C)cc1 414174012 XQQNUGZUVIBAAD-INIZCTEOSA-N 274.408 3.922 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1CC 413829949 WXBVKACIKZERPR-DLBZAZTESA-N 286.419 3.758 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)Cc1cccc(Cl)c1 410833828 ICPNPBXHKGJDKS-SWLSCSKDSA-N 292.810 3.669 30 20 CHED Cc1noc(C)c1N=C(O)[C@H]1C[C@]12CCOc1ccccc12 329737589 TWGAEFYMIPXLLY-DYVFJYSZSA-N 298.342 3.620 30 20 CHED C=C(C)COCCNC(=O)[C@H](C)c1ccc2ccccc2c1 136148142 MUKHWKYTJALYQB-OAHLLOKOSA-N 297.398 3.652 30 20 CHED Cc1cccc2c(CC(=O)O[C@@H](C)C(C)(C)C#N)c[nH]c12 131478077 JNBHGXOGXHKOLS-LBPRGKRZSA-N 284.359 3.500 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2nnc(C)o2)c1 424678960 ANVHBLPDLMADCB-UHFFFAOYSA-N 285.347 3.586 30 20 CHED CC(C)[C@@H]1CCC[C@H](/N=C(/O)c2snnc2C2CC2)C1 329537249 UVSKOEOOEWWFSI-NEPJUHHUSA-N 293.436 3.935 30 20 CHED CC1(C)CC[C@H](/C(O)=N/[C@H]2CCC(O)=NC23CCC3)C1 328688351 HPVRFONBPSECGR-RYUDHWBXSA-N 278.396 3.811 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCC(C)(C)CCC#N 513149343 NAJLCOGWVKUDDD-CABCVRRESA-N 293.455 3.927 30 20 CHED C=C[C@H](CC(=O)N[C@H](COCC)C(C)C)c1ccccc1 190996448 BHKXRONQSQQPCI-NVXWUHKLSA-N 289.419 3.524 30 20 CHED C=CCC1(C(=O)Nc2cc(NC(C)=O)ccc2C)CCC1 191871423 YGQGKHAPJZNMFX-UHFFFAOYSA-N 286.375 3.638 30 20 CHED C=CCN1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 428796498 YJKQSJMFTYTDGY-SMDDNHRTSA-N 285.309 3.653 30 20 CHED Cc1cc(C(F)(F)F)ccc1C(=O)NC1(C#N)CCCC1 334725672 DUNGZLLQFZVTNV-UHFFFAOYSA-N 296.292 3.580 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)NC[C@H](C)C#N 517220747 PNHBPSSQPJHKBA-ZIAGYGMSSA-N 267.417 3.536 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)cc1Cl 335863288 MPBFCDFZLKYFET-HZMBPMFUSA-N 289.766 3.618 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)o1 83982135 UNRIZRKENIGICA-WEVVVXLNSA-N 271.272 3.646 30 20 CHED C=CCC[C@@H](NCCc1ccc(O)cc1)c1ccco1 513672783 MCHSHNADCOCYHR-MRXNPFEDSA-N 271.360 3.825 30 20 CHED C=CCCCCCN1CCN([C@H](C)c2nccs2)CC1 193557810 YQFTUXCABBINFM-OAHLLOKOSA-N 293.480 3.568 30 20 CHED C[C@]1(CNc2c(Cl)cccc2C#N)C[C@H]2CC[C@H]1O2 425277323 FFQHMRFIWSLKEK-UXIGCNINSA-N 276.767 3.581 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1 516660496 ZOGKSIXOPRBLQG-KSZLIROESA-N 296.414 3.708 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@H]2CCCS2)c(C#N)s1 91208387 OBEMDNIQBOVWSN-SNVBAGLBSA-N 294.445 3.751 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)NCC#Cc1ccccc1 512046697 NTJRSPPEXNBFST-AEFFLSMTSA-N 298.430 3.554 30 20 CHED C=CCOc1ccc(CNC(=O)Nc2ccc(C)cc2)cc1 513594962 HINTVHJTXJBLRR-UHFFFAOYSA-N 296.370 3.882 30 20 CHED C=CCN1CCC(NCc2ccc(-c3ccccc3)o2)CC1 236662336 NFBWYWQAQPMKET-UHFFFAOYSA-N 296.414 3.687 30 20 CHED Cc1ccc(C(=O)N2CCC(C#N)CC2)c(Cl)c1Cl 336240374 IMKMKBJYBMNLAY-UHFFFAOYSA-N 297.185 3.678 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccnc1 336083085 HDLUFFVQAOIVCF-SFHVURJKSA-N 277.371 3.511 30 20 CHED CC#CCCNC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 430165200 SWGMHQIXEPYZQT-JTQLQIEISA-N 299.201 3.767 30 20 CHED C=C(CC)CN1CCC(C(=O)c2ccc(F)cc2)CC1 434678351 FVHGVXZFZJSCDX-UHFFFAOYSA-N 275.367 3.687 30 20 CHED COc1ccccc1Sc1nccc(C#N)c1Cl 234921085 FDARUAFXNQZNNC-UHFFFAOYSA-N 276.748 3.766 30 20 CHED C=CC[C@H](C)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 512661420 SCWCSYFAGCYADZ-IJXRJRJASA-N 298.474 3.841 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H](C3CC3)C2)cc1 334336739 TXFPTRQICVEMJD-CQSZACIVSA-N 297.402 3.752 30 20 CHED OC1=N[C@@H](/C(O)=N/[C@@H]2CCC[C@H](c3ccccc3)C2)CC1 330212504 KHMSJJMNQQLXKZ-RRFJBIMHSA-N 286.375 3.788 30 20 CHED CCCN(Cc1ccc(C#N)c(C)c1)CC(F)(F)F 618593620 YVUUZZFPYLXLHI-UHFFFAOYSA-N 270.298 3.641 30 20 CHED N#Cc1ccncc1NCCc1c[nH]c2ccc(Cl)cc12 94169216 ZYMYDMOXJOKZEO-UHFFFAOYSA-N 296.761 3.743 30 20 CHED Cc1c(F)ccc(Cl)c1NC(=O)c1ccc(C#N)cc1 334799917 UFIQKHPYKROBHZ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCS[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 523521768 BWORRCHNPLZOSD-REWJHTLYSA-N 269.454 3.625 30 20 CHED C[C@@H](NCC1C(C)(C)C1(C)C)c1ccc(OCC#N)cc1 92806135 KNJMXIMHXDPZFE-CYBMUJFWSA-N 286.419 3.922 30 20 CHED C=C1CCN(CCCCCOc2ccccc2)CC1 438120204 VJJVUIGPXSESFZ-UHFFFAOYSA-N 259.393 3.888 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cccnc1C 347866654 AKIVXDXVSQIPAZ-UHFFFAOYSA-N 280.371 3.609 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@H]2C[C@]23CCCc2ccccc23)C1 246425461 NMKGMKSTLUONOB-PBYMTVQHSA-N 295.382 3.516 30 20 CHED Cc1ccc(C[C@@H](NCC2(CC#N)CC2)C2CC2)cc1 430734106 KVIRPYDEMXBTNW-QGZVFWFLSA-N 268.404 3.600 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1ccccc1Cl 249877326 MCYWOQKIMDOVQP-NWDGAFQWSA-N 250.773 3.883 30 20 CHED CC1(C)CCCN(C(=O)c2cccn2C2CCCC2)[C@H]1C#N 434449141 AVPQYAJALHTMEE-INIZCTEOSA-N 299.418 3.758 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1ccccc1CC#N 529293567 YURFWPRCSBHRIW-OAHLLOKOSA-N 292.382 3.878 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@H](C)c2ccco2)cc1 245502527 GAYRNMHJIFQQPX-UONOGXRCSA-N 284.359 3.763 30 20 CHED N#C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C1CC1 601068194 AHTJVFRVGGYRTH-CYBMUJFWSA-N 296.355 3.612 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N(C)c1cccc(C#N)c1 609566842 RKWQYHWSWDJCTQ-KRWDZBQOSA-N 292.382 3.790 30 20 CHED C=CCCCSCC(=O)Nc1cc(C)nn1C(C)(C)C 341930775 RCIQXXAUQWGGDW-UHFFFAOYSA-N 295.452 3.584 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H](C)CCC#N 602443318 CENGOHATRVUGFK-MRXNPFEDSA-N 283.419 3.956 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(C(C)(F)F)cc1 432349514 WAGNZLKZBDVTKA-CQSZACIVSA-N 296.361 3.952 30 20 CHED Cc1ccc(-c2ccc(NC[C@@H]3CCCO3)nc2)c(C#N)c1 600775391 HZEHOVMMZZFVEO-INIZCTEOSA-N 293.370 3.520 30 20 CHED CC#CCN1CCc2sccc2[C@H]1c1cccs1 607723947 SQAJBJPCCUIPGK-HNNXBMFYSA-N 273.426 3.780 30 20 CHED C=CC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 438107122 BNILZVDILLBJOZ-UHFFFAOYSA-N 273.405 3.536 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1cc(C)nc(CC)n1 342639522 UCUXUFOGIOVKQA-UHFFFAOYSA-N 294.402 3.636 30 20 CHED CC(C)(CCC#N)CNCCc1ccc(F)cc1Cl 344224465 PZUYRWGMJVRAGD-UHFFFAOYSA-N 282.790 3.941 30 20 CHED CC(C)OCc1ccccc1CNC[C@@H](C)CCC#N 602513413 XQLJXTVONAMQKL-HNNXBMFYSA-N 274.408 3.641 30 20 CHED CSCCCN(C)Cc1cccc(OCCCC#N)c1 343671138 FHGKPLHNFUZFPD-UHFFFAOYSA-N 292.448 3.554 30 20 CHED CCc1ccc(C=NOCc2nc(C)c(C)s2)cc1 255045417 FRKAIAOPPUUTLK-UHFFFAOYSA-N 274.389 3.873 30 20 CHED CC(=O)c1nc(-c2cn(CCC#N)c3ccccc23)cs1 342409383 QGHDFUBQZXLUQO-UHFFFAOYSA-N 295.367 3.881 30 20 CHED Cc1noc(C)c1/C=C1/CCc2cc(F)ccc2C1=O 255570057 YCWWWSOQIJMIOJ-WQLSENKSSA-N 271.291 3.643 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(C#N)c2)c(F)c1 255111259 DKDHBWBALHRVAP-YVMONPNESA-N 281.286 3.602 30 20 CHED Cc1ccccc1[C@@H]1CN(C[C@H](C)CCC#N)[C@H](C)CO1 602475165 XIFCVSTUADEVJH-KYJSFNMBSA-N 286.419 3.697 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 355217476 WNGQOKMKJXAXAE-ULQDDVLXSA-N 290.451 3.991 30 20 CHED CCCCN(C(=O)c1cccc(CC#N)c1)c1ccccn1 602404269 LAXAWVPZKWEBNC-UHFFFAOYSA-N 293.370 3.595 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)N[C@H]1C[C@H](c2ccccc2)C1 602646284 NRJXAOVBNRMIDO-SZMVWBNQSA-N 298.430 3.621 30 20 CHED C=CCSCCN[C@H]1CCc2cc(F)c(F)c(F)c21 449131561 NSZXIZTXJWXEKT-NSHDSACASA-N 287.350 3.600 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)[C@@]3(C#N)C[C@H]3C)ccc21 448806862 WPRGRGPYDJQACX-FZKQIMNGSA-N 295.386 3.786 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)c2ccc(CC#N)cc2)c1 534671790 AJZRLWXSXXJYPD-HNNXBMFYSA-N 292.382 3.595 30 20 CHED C=CC[C@H]1N(CCCCCOC)CCCC1(C)C 444773073 BXGPBWPBRBDAAL-OAHLLOKOSA-N 253.430 3.870 30 20 CHED C=C(C)COc1cc(CN2CCC[C@H]2CF)ccc1OC 354522177 RVBOKVOEWDJHOB-HNNXBMFYSA-N 293.382 3.584 30 20 CHED C[C@H](CCC#N)CNC1(c2ccc(F)cc2F)CCC1 602577711 JOMQHCNMQMWUPJ-GFCCVEGCSA-N 278.346 3.873 30 20 CHED N#CCCSc1ccccc1NC(=O)C1CC(F)(F)C1 440562543 LWEHSGVLZJIKBT-UHFFFAOYSA-N 296.342 3.676 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](C)c1ccccc1OC 263980173 BYRROGAQZCVZHG-AWEZNQCLSA-N 275.392 3.613 30 20 CHED CC[C@@H](CNC[C@@H](C)CCC#N)Oc1ccccc1C 602564178 QBRKTEWMGVCUDD-HOCLYGCPSA-N 274.408 3.682 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC[C@H](C)c1cccc(Cl)c1 449548705 PXCKALJNINAZQK-MAZHCROVSA-N 279.811 3.767 30 20 CHED CCN(CCc1ccccc1)Cc1cc(C#N)ccc1OC 446769829 SAZGDGPGASJNBD-UHFFFAOYSA-N 294.398 3.631 30 20 CHED C=CCC1(C(=O)Nc2cc(C)ccc2O)CCCC1 449822475 VZOMFOOFZVGILX-UHFFFAOYSA-N 259.349 3.776 30 20 CHED C=C[C@@H](C)N[C@H](CC)c1cc(Cl)ccc1OC 358304187 RDXBOYUAJBWZCY-ZWNOBZJWSA-N 253.773 3.964 30 20 CHED CCSCc1cccc(NCc2cc(C#N)n(C)c2)c1 359671586 GESVRXCTICYBRH-UHFFFAOYSA-N 285.416 3.762 30 20 CHED C=CCCOCCCCc1nc(-c2cc(C)oc2C)no1 445856850 IATCTROAKBWQBD-UHFFFAOYSA-N 290.363 3.862 30 20 CHED N#Cc1ccc(CNC[C@H]2C[C@@H]2c2ccccc2)cc1F 449732847 DNUMAWXBLCLRDC-IAGOWNOFSA-N 280.346 3.591 30 20 CHED COc1cc(CNc2ccc3ncccc3c2)ccc1C#N 440628818 LFXXZFFZESAMSR-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn(C(CC)CC)c1CC 357976402 KGTMCZAXVFAYJR-UHFFFAOYSA-N 291.439 3.845 30 20 CHED CC(C)n1nccc1/C=C/c1nc2ccccc2n1CC#N 352021871 SLWGFMKYZLBVCC-BQYQJAHWSA-N 291.358 3.508 30 20 CHED C=CCn1c(C)nnc1N(CC)Cc1ccc(Cl)s1 350741974 SOGJLKGLUWGCGF-UHFFFAOYSA-N 296.827 3.514 30 20 CHED Cc1ncc(Br)cc1N[C@@H]1CCC[C@@H](C#N)C1 449526664 XDBCHIMTHZJZFH-ZYHUDNBSSA-N 294.196 3.647 30 20 CHED C#CCN(CC)C(=O)Nc1cccc(C(F)(F)F)c1C 268499190 SEUCDAHMQJYVIM-UHFFFAOYSA-N 284.281 3.501 30 20 CHED CCOc1ccc(CSc2ccc(C#N)cc2F)nc1 610585172 FWIULHAVVKRBRI-UHFFFAOYSA-N 288.347 3.783 30 20 CHED C=CCC1(CNC(=O)c2c(C)noc2C(C)C)CCCC1 456482639 FDXNBLILDXEWPT-UHFFFAOYSA-N 290.407 3.973 30 20 CHED C=CCSCCNC(=O)N1CCC(C2CCCC2)CC1 610401313 SCONOANHAXCADT-UHFFFAOYSA-N 296.480 3.517 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)C[C@H]2CCCO2)CCCCC1 458227492 RTCNTKCPSHRMDG-LSDHHAIUSA-N 294.439 3.522 30 20 CHED Cc1c(C(=O)N2CCC[C@](C)(C#N)C2)oc2ccccc12 612242341 NKLJBRMEGUFHLY-QGZVFWFLSA-N 282.343 3.507 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 459315141 QJCPNRNCOJXNLC-FGTMMUONSA-N 298.430 3.963 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2ccc(C)cc2o1 453366420 RAISZNSAQQNTON-CFVMTHIKSA-N 271.360 3.735 30 20 CHED N#Cc1ccc(NC(=O)N2CCC[C@@H]2C2CC2)cc1Cl 368960920 SOANXSTXXRQRKH-CQSZACIVSA-N 289.766 3.618 30 20 CHED C#CCCCCc1nc(Cc2c[nH]c3cc(F)ccc23)no1 273953938 VEEJHIFXZGYAGJ-UHFFFAOYSA-N 297.333 3.627 30 20 CHED C=CCC1(C(=O)NC[C@]2(C)CCCS2)CCCC1 450105574 LOUUOUFTOLSBMT-AWEZNQCLSA-N 267.438 3.525 30 20 CHED C=CCC[C@H](NC(=O)Nc1ccnc(C)n1)c1ccccc1 362042548 ZHNSCCNOWLLVEJ-HNNXBMFYSA-N 296.374 3.614 30 20 CHED CC[C@H](N[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(C#N)cc1 278367438 BWWQEQNTXWLWNP-OKZBNKHCSA-N 286.419 3.803 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(CCCSCC#N)C2)cc1 278683036 OWLNXJWZYVNPKY-RDJZCZTQSA-N 288.460 3.820 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](CC)Sc1ccccc1 452778861 ZUBZRXSRSPWOBI-AWEZNQCLSA-N 277.433 3.886 30 20 CHED CC#CCN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 540522250 RVAZWUHSQBXRKO-NSHDSACASA-N 295.226 3.922 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1cc2ccccc2s1 277185240 HHBZELYCWAQXLL-LBPRGKRZSA-N 271.385 3.882 30 20 CHED CC#CCCCC(=O)N[C@](C)(c1ccccc1)C(F)(F)F 466233146 FXMUXBCEAYRTLX-OAHLLOKOSA-N 297.320 3.774 30 20 CHED CCN(Cc1ccc(Cl)s1)C(=O)CC(C)(C)C#N 278615556 WNJTYOZETAYCQY-UHFFFAOYSA-N 284.812 3.690 30 20 CHED CC(C)C1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 462173331 CFYQCRRHSATTBW-AWEZNQCLSA-N 284.403 3.556 30 20 CHED C=CCCN(C)C(=O)NCC(C)(C)c1ccc(CC)cc1 466798466 ZTJLWSPAPRHOCL-UHFFFAOYSA-N 288.435 3.744 30 20 CHED CCc1ccc(O)c(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 462208555 MIIJTUVOOUVING-GFCCVEGCSA-N 294.354 3.568 30 20 CHED C=CCC(C)(C)c1noc(-c2cc([N+](=O)[O-])ccc2C)n1 556365616 ZBSUAQXQJTXFCU-UHFFFAOYSA-N 287.319 3.807 30 20 CHED CCCC[C@@H](C)C(=O)N[C@H](C)c1ccc(C#N)cc1 282350685 AETJKHRBEPVMPW-CHWSQXEVSA-N 258.365 3.562 30 20 CHED CC(C)N(CC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 551690684 KSADJIZZZJWHDF-UHFFFAOYSA-N 299.418 3.540 30 20 CHED CC(C)(C#N)CC(=O)NCC1(c2ccccc2)CCCCC1 558421039 VTEXRFZOAJSNJZ-UHFFFAOYSA-N 298.430 3.945 30 20 CHED CC(C)(CCC#N)CNC(=O)CCc1cccc(Cl)c1 557986156 YGRMVUZFINHKFN-UHFFFAOYSA-N 292.810 3.719 30 20 CHED C=CCC1(NC[C@]2(C)C[C@H]2c2ccccc2)CCOCC1 639315237 RIJBLWBKQDYNMG-ROUUACIJSA-N 285.431 3.895 30 20 CHED C=CCCCC(=O)O[C@@H](CC)c1ccc(F)cn1 285895057 UMJQXQGYTVIJJQ-ZDUSSCGKSA-N 251.301 3.571 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@@H]1c1ccsc1 289651883 YKEIIQHCXXVPRU-QGZVFWFLSA-N 295.407 3.636 30 20 CHED C[C@@H](NC(=O)CSCCC(C)(C)C#N)c1ccccc1 289356727 HQSYCMQRRSOHJU-CYBMUJFWSA-N 290.432 3.537 30 20 CHED COc1ccsc1/C=C\C(=O)c1coc(C(C)C)n1 806557921 MLSGQJITJHTNTF-PLNGDYQASA-N 277.345 3.764 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)N(C)[C@H](C)C#N)c1C 297951710 ULWRXXARLJFKLJ-LLVKDONJSA-N 282.343 3.548 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)cn2)n1 551536063 OWXTVSRGRYFZSP-STQMWFEESA-N 282.347 3.687 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@@H](C)C1CCCCC1)OCC 470409274 QMMSGQPWWLLWOH-HOCLYGCPSA-N 281.440 3.785 30 20 CHED C#C[C@H](C)N[C@@H](C)CCc1ccc(OC/C=C\C)cc1 809684338 ZDHKZYZJXKFARR-BNOHMRNQSA-N 271.404 3.574 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 298132531 OGKDKANPVVWIJI-UKRRQHHQSA-N 288.391 3.506 30 20 CHED N#Cc1cccc(OCCCSc2ccccc2C#N)c1 477520857 ABQOUWWIPOZAAB-UHFFFAOYSA-N 294.379 3.991 30 20 CHED C=CCCCCN[C@@H](C)CC(=O)Nc1ccc(C)cc1C 471604523 XPXSMBUHBKRWST-INIZCTEOSA-N 288.435 3.966 30 20 CHED C=CCCCC[C@H](C)Nc1ccc2c(c1)C(=O)NCC2 648501243 MMKIRIKRJQYUDS-ZDUSSCGKSA-N 272.392 3.519 30 20 CHED Cc1nsc(N2CCC[C@](C)(c3ccccc3)C2)c1C#N 567575429 HWDHGPFMNUHVGJ-KRWDZBQOSA-N 297.427 3.881 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(C)(C)C#N 299654836 KRIBRKJVDXCPEC-VIFPVBQESA-N 299.201 3.590 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C(=C\C)CC 804559705 FBGNKOIUQXIRIA-APSNUPSMSA-N 289.423 3.725 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1ccc(CC)cc1)C(C)(C)C 807879592 GCTVARKOTGPDRQ-BBRMVZONSA-N 271.404 3.517 30 20 CHED COc1ccc([C@H](C)/N=C/c2ccccc2O)c(C)c1OC 806552180 QHMCEWDJUUBYLK-MDBUFAAASA-N 299.370 3.898 30 20 CHED Cc1csc(C(=O)N2CCCc3cc(C#N)ccc32)c1 297942345 ZYOGPMQQZBULNP-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C=C(C)C[C@H](C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 568149707 XKUZFTFYYYEATR-WMLDXEAASA-N 288.435 3.528 30 20 CHED Cc1cc(SCCC2CCOCC2)ccc1C#N 566914194 BHYOWHYWYLOBLV-UHFFFAOYSA-N 261.390 3.776 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cc(C)c(C)o1 807989741 QUNAXCZYRXTWII-UHFFFAOYSA-N 287.319 3.949 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)c(C)cc1Cl 297573645 ZXHKXLICZNVSKQ-UHFFFAOYSA-N 266.772 3.997 30 20 CHED CC[C@@H](C#N)N[C@@H](Cc1ccccc1)c1ccc(OC)cc1 290461638 FOHFWXSOEKHCLR-HKUYNNGSSA-N 294.398 3.871 30 20 CHED C[C@H](C#N)OCCN1CCc2c(-c3ccccc3)cccc21 801941146 IQTWMTKSSAYXNE-OAHLLOKOSA-N 292.382 3.645 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(C(C)C)CC1 569641417 LOTMLEOWWXMLCZ-OAHLLOKOSA-N 252.446 3.584 30 20 CHED C#C[C@H](NCc1cccc(-c2ccccn2)c1)C(C)(C)C 809781242 KKGRIKZETWLHQW-SFHVURJKSA-N 278.399 3.886 30 20 CHED C=CCC(F)(F)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 815770355 MAAJAILKNRWIPJ-VHSXEESVSA-N 299.283 3.683 30 20 CHED CCSCC[C@H](C)NC(=O)Nc1scc(C)c1C#N 566418283 DGFSXHUCPWATSB-JTQLQIEISA-N 297.449 3.581 30 20 CHED N#Cc1ccc2c(c1)C(=NNc1cc(F)cc(F)c1)CC2 811639218 RWLRXQXATKFRJH-UHFFFAOYSA-N 283.281 3.599 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@@H](CCCC(=O)OC)C1)C(C)(C)C 816612327 MCXQATMWFVQALS-XHSDSOJGSA-N 293.451 3.526 30 20 CHED Cc1nc(N2CCC[C@H]2c2ccc(F)c(F)c2)ccc1C#N 813594901 SKIDDANBWYXLAX-INIZCTEOSA-N 299.324 3.881 30 20 CHED CC(C)c1ccc(C(=O)OCCCC(C)(C)C#N)nc1 811262565 XERHUVNYKFASOS-UHFFFAOYSA-N 274.364 3.692 30 20 CHED CC(C)(C)c1nc(C=NOC/C=C/Cl)cs1 811671190 BVOAPJOWEUQJNP-DJGXGVTFSA-N 258.774 3.544 30 20 CHED C=CCC(F)(F)C(=O)N1CC2(CCC2)c2ccccc21 816457568 DTXUTMAGKZOGES-UHFFFAOYSA-N 277.314 3.666 30 20 CHED C=CCCCCOC(=O)c1ncoc1-c1ccccc1 811011715 JHOOGVUKVYLYFF-UHFFFAOYSA-N 271.316 3.855 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1scnc1C1CCCC1 488817573 FAHSAYSMPFQJSV-ZDUSSCGKSA-N 290.432 3.981 30 20 CHED Cl/C=C\CON=Cc1cc(Cl)cc2cccnc12 811669189 XOFRLTHKPIFGLO-UAVPUDLISA-N 281.142 3.991 30 20 CHED N#CC1(COc2cccc(Oc3cccnc3)c2)CCC1 579333983 UZLMLAKFFUPHGA-UHFFFAOYSA-N 280.327 3.947 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)OC1CCCCC1 488874836 FLVKEZULTMSHQL-ZBFHGGJFSA-N 279.424 3.681 30 20 CHED CC#CCCNC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 483422407 XBRLXGSTDNMRBY-UHFFFAOYSA-N 299.201 3.548 30 20 CHED C=CCCn1cc(CN[C@@H]2CCC[C@H](C(C)C)CC2)nn1 657438805 VHBAGWSQBYNELK-JKSUJKDBSA-N 290.455 3.549 30 20 CHED C=CCCCC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 480921600 RNOISGMGMCTLPX-NSHDSACASA-N 279.767 3.810 30 20 CHED COc1ccccc1C=NNc1ccc(F)c(F)c1F 814945852 TYUVOBSUFYDZIJ-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CCCCCC[C@@H](CC)C(=O)N[C@](C)(C#N)CC 813081041 IHDDGGDOSJAMHT-HIFRSBDPSA-N 252.402 3.791 30 20 CHED C=CCCCCCCCNC(=O)Cc1ccsc1 810765986 FCWFWAVARXZREW-UHFFFAOYSA-N 265.422 3.933 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCS[C@@H](C)CC3)c2c1 487721011 NIJULCQRJIDWEF-ZDUSSCGKSA-N 297.427 3.747 30 20 CHED C=C(C)C(C)(C)C(=O)N(OC)[C@@H](C)c1csc(C)n1 819555237 AGTSARYGMIERMP-JTQLQIEISA-N 282.409 3.505 30 20 CHED C=CCOc1ccccc1C(=O)N1CC(C)(C)[C@@H]1C(C)C 480459058 JXJZDSAEUFNLKV-INIZCTEOSA-N 287.403 3.758 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](F)C2)c(Cl)c1 573321730 ZCXAEDZKNYQTMA-GHMZBOCLSA-N 295.745 3.614 30 20 CHED CCC(=NNc1ccc(F)cc1C)c1cccc(N)c1 814885007 IQGXOIZUJJXNMQ-UHFFFAOYSA-N 271.339 3.943 30 20 CHED CCOc1cccc(C=NNc2cccc([N+](=O)[O-])c2C)c1 727973066 CFMKCAZVKMSLJW-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1CC(c2cccc(F)c2)C1 570143421 ZNGPOHGWDFUJFJ-VMBOVVBDSA-N 287.378 3.886 30 20 CHED C[C@@H](N=c1[nH]oc2ccc(Cl)cc12)c1ccc(C#N)cc1 571012727 SRUXNFNIPMQFAU-SNVBAGLBSA-N 297.745 3.948 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2OC)C1 666501917 LEHUKDUXFPGLIW-GFCCVEGCSA-N 292.354 3.654 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)/C=C/c1ccccc1C#N)C1CC1 729441971 JPLDYPLOJPEDAV-XMSFRJSPSA-N 296.414 3.997 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCCOC1 727707536 AIWLDQNKWRFTAY-LSDHHAIUSA-N 269.429 3.526 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H]1c1ccc(F)cc1 825079010 MNMAIMNLHQTFLW-WFASDCNBSA-N 261.340 3.701 30 20 CHED COc1cc(F)c(NC2CCC(C)(C#N)CC2)cc1OC 823523581 IQMFOYMGMJSWJC-UHFFFAOYSA-N 292.354 3.727 30 20 CHED CC(Cc1ccsc1)=NNc1oc(C(C)C)nc1C#N 729638839 HZFBYEVTRYPDDY-UHFFFAOYSA-N 288.376 3.762 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 584749842 ZHFDEOXZDDYUBJ-KGLIPLIRSA-N 290.455 3.678 30 20 CHED C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 669895319 ITJNHFMZKKLOHN-BCDXTJNWSA-N 299.414 3.516 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ccc(C#N)cn1 730747688 XBJNQSFEXQGBEQ-CQSZACIVSA-N 287.407 3.680 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCC[C@]1(C)C(=O)O 901733864 LWSNDTOZPOSRTK-DZKIICNBSA-N 269.429 3.968 30 20 CHED COC1CCC(=NNc2cc(Cl)ccc2[N+](=O)[O-])CC1 835008917 KZYQINNYKKATKY-UHFFFAOYSA-N 297.742 3.605 30 20 CHED C#CCN(Cc1oc(CC)nc1C)[C@@H]1CCc2ccccc21 491362026 OWKZOHKBDBDBAO-QGZVFWFLSA-N 294.398 3.668 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1csc(C(=O)O)c1 730148957 QUEBYJQJWDMQBW-RJRFIUFISA-N 294.278 3.621 30 20 CHED COc1cc(F)c(F)cc1N[C@@H](C#N)Cc1ccccc1 589542150 NPBOKFDBKVCLLH-GFCCVEGCSA-N 288.297 3.520 30 20 CHED CSCC1(CC(=O)OCCCCC2(C#N)CCC2)CC1 909416441 BOEATHZKOFARDO-UHFFFAOYSA-N 295.448 3.927 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@]1(C)CC=CCC1 839321403 NBVIMDPRVALLHD-GUYCJALGSA-N 284.359 3.662 30 20 CHED Cc1cccc(CCC(=O)O[C@H]2CCC[C@H](C#N)C2)c1 839043917 LIIAYGVWLQFFGZ-HOTGVXAUSA-N 271.360 3.553 30 20 CHED N#CC1(CNC(=O)c2ccc(C3CCCC3)cc2)CCC1 583920396 HHLTYORUMUGTRC-UHFFFAOYSA-N 282.387 3.768 30 20 CHED C=C(C)COCCN[C@@H](C)c1cccc(C2CC2)c1 580174925 WIQWDOTWHGGTHR-AWEZNQCLSA-N 259.393 3.807 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1cn(C)nc1C 835018171 HRLDXURTRBSYFN-UHFFFAOYSA-N 270.380 3.688 30 20 CHED COc1cccc(NN=C2CCC[C@H](SC)C2)c1 901160343 YERKZQZSYHXOJD-AWEZNQCLSA-N 264.394 3.769 30 20 CHED c1ccc2nc(NN=C3CCC[C@H](C4CC4)C3)cnc2c1 737434674 OHJIRAXSXRPEOZ-ZDUSSCGKSA-N 280.375 3.998 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H]1[C@@H]1CCCOC1 582665328 WEKLSPHETKRCNQ-CVEARBPZSA-N 278.440 3.597 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1CC1CCCCC1 736398639 BPUZBIBEKMXUHK-AWEZNQCLSA-N 284.831 3.883 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccc(F)cc1C(=O)O 738313029 DLETWKFDEYEPAT-UHFFFAOYSA-N 299.301 3.591 30 20 CHED C=C(Cl)CNC(=O)[C@@H](OC1CCCC1)c1ccccc1 736244986 ADGMEUCORDBQEJ-HNNXBMFYSA-N 293.794 3.556 30 20 CHED C[C@H](NC(=O)N1CCCCCCCC1)c1cccc(C#N)c1 836334457 OQXNOXQLOCKQHF-HNNXBMFYSA-N 299.418 3.985 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H](CO)CC1 837388492 ULHRRTWYVZTKAX-MRXNPFEDSA-N 298.471 3.541 30 20 CHED FC(F)(F)c1ccnc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)c1 834983851 INYIVZUCQKLQJT-DCAQKATOSA-N 281.281 3.710 30 20 CHED C[C@H]1N(C(=O)c2ccc(C#N)s2)c2ccccc2C1(C)C 598276123 RAUYCRKEVXZDSK-LLVKDONJSA-N 296.395 3.946 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(C)c(F)c1 596632719 ZXTMMQBCBJHWBV-UHFFFAOYSA-N 282.384 3.565 30 20 CHED C#CCC1(C(=O)NC[C@H](C)CC(F)(F)F)CCCCC1 839850725 UODHTPOPFLATIT-GFCCVEGCSA-N 289.341 3.665 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 597993787 DESUAWFHOUEBOU-ZWKOTPCHSA-N 296.414 3.574 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCC3(CCC3)CC2)c1 672329691 ODTUCYYDTZTMDP-UHFFFAOYSA-N 268.360 3.531 30 20 CHED CCN(C(=O)c1cc2cccc(C)c2s1)[C@@H](C)C#N 598362795 JEJSZNXJJIQDIA-NSHDSACASA-N 272.373 3.584 30 20 CHED CC(C)c1ccc2ncnc(N3CCC[C@@H](CC#N)C3)c2c1 596325189 IAXZVYMZPYNGPW-AWEZNQCLSA-N 294.402 3.883 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 597695179 OWINCEUQQSJIMZ-SJORKVTESA-N 298.430 3.654 30 20 CHED CCc1ccc(C(C)=NNc2ccc(C#N)cc2)cc1 915961127 ABHZYKPJIPDSRR-UHFFFAOYSA-N 263.344 3.957 30 20 CHED Cc1ncc(Br)n1CCCCC(C)(C)C#N 918308381 SJHYYGGIPNQRPJ-UHFFFAOYSA-N 284.201 3.674 30 20 CHED N#CC[C@@H](CC(=O)NC1(C2CCC2)CC1)c1ccccc1 593308104 ZFJVSJWSEDYPID-HNNXBMFYSA-N 282.387 3.523 30 20 CHED C=CCNC(=S)N(CCCC)[C@@H](C)c1ccc(C)o1 745706955 CCRFMRWFGZVOHY-ZDUSSCGKSA-N 280.437 3.812 30 20 CHED COc1ccc(CSc2cc(C#N)ccn2)cc1C 590597025 VFGQAPGSWFSZSH-UHFFFAOYSA-N 270.357 3.563 30 20 CHED C[C@H]1CN(CCOc2cccc(C#N)c2)Cc2ccccc21 917039410 CDSIODOSQOHNPL-HNNXBMFYSA-N 292.382 3.556 30 20 CHED N#CC1(CCOC(=O)c2ncccc2Cl)CCCCC1 840575740 ARBJLLWZDMJJIG-UHFFFAOYSA-N 292.766 3.756 30 20 CHED CCc1ccccc1C/N=C\c1c(O)cccc1OC 740616852 VIDARQWGSFLZRJ-PDGQHHTCSA-N 269.344 3.582 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1ccccc1C 915968327 WCNNSVKVSGSHLX-UHFFFAOYSA-N 278.359 3.718 30 20 CHED Cc1cc(C)c(NN=Cc2cccc(O)c2)c(C)c1 916339900 YJAQNAWPPHBVHU-UHFFFAOYSA-N 254.333 3.763 30 20 CHED COc1ccc(CCNN=C2C[C@@H](C)C[C@H](C)C2)cc1 747764594 PTSGBLNYDQJLAS-KBPBESRZSA-N 274.408 3.639 30 20 CHED CCN(CCCSCc1ccccc1)[C@H](C)C#N 595821640 YGFRZHCLMKBGOH-CQSZACIVSA-N 262.422 3.544 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc(COc2ccc(C)cc2C)o1 744180003 DQKQACDOPQDCQG-CQSZACIVSA-N 298.338 3.654 30 20 CHED C=CCOc1cccc(/C=C2\Oc3ccccc3C2=O)c1 742437631 VHDRMJZKOLPZLI-ATVHPVEESA-N 278.307 3.868 30 20 CHED C=CC[C@H]1CCCN(Cc2ncc(CSC)s2)C1 597185704 BFUTZZJKPQMRJT-LBPRGKRZSA-N 282.478 3.794 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1 594711945 SHCNBZGILFOGLL-GOSISDBHSA-N 264.372 3.842 30 20 CHED C#CCOc1ccc(C(=O)Oc2ccc(SC)cc2)cc1 741520398 FTIOHKWIHAVWPH-UHFFFAOYSA-N 298.363 3.640 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc2c(c1)COC2 742436286 JOHCBADJPXHMII-ORCRQEGFSA-N 292.334 3.548 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 594084273 BMLXPOPNHXPHJX-WMLDXEAASA-N 286.419 3.749 30 20 CHED CC[C@H]1c2ccccc2CCN1C(=O)NCC(C)(C)CC#N 590949408 WFXJZOISQSFBJO-INIZCTEOSA-N 299.418 3.645 30 20 CHED CCC(=NOCc1ccccc1)c1cccc([N+](=O)[O-])c1 915960295 ZKEPVWZHPFPTSA-UHFFFAOYSA-N 284.315 3.926 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2ccccc2n1C1CC1 682408547 JOXWTWFCKFYFPJ-KRWDZBQOSA-N 283.375 3.912 30 20 CHED CC(C)C[C@@H](C(=O)N[C@H](C)CC#N)c1ccc(Cl)cc1 596998781 QQEJPTJHWROBDS-IUODEOHRSA-N 292.810 3.888 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2c(C)n[nH]c2C)CCCCC1 910068629 AJVAENQEBVUGQF-LBPRGKRZSA-N 289.423 3.730 30 20 CHED CC[C@@H](OCCOC(=O)[C@](C)(C#N)CC)c1ccccc1 845164801 BVDOXHPFSARTOM-WBVHZDCISA-N 289.375 3.637 30 20 CHED C#CC1CCN(C(=O)[C@@H](C)CCCc2ccccc2)CC1 843705318 BCGCUTKGCRYJII-INIZCTEOSA-N 283.415 3.517 30 20 CHED CCCCO[C@@H]1CC(=NNc2cncc(Cl)n2)C1(C)C 747630021 OWOMDFNSGJNUCW-LLVKDONJSA-N 296.802 3.513 30 20 CHED C=C(Cl)COC(=O)/C=C\c1cnc(C(C)(C)C)s1 745676174 CAOUHDKENJUVRV-WAYWQWQTSA-N 285.796 3.750 30 20 CHED C#C[C@H](OC(=O)[C@@]1(C)CC=CCC1)c1ccccc1 842363744 OLNVGFWLKBZVGH-RDJZCZTQSA-N 254.329 3.651 30 20 CHED CCC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 594006396 YTPNVQJMHWSSDY-CRAIPNDOSA-N 298.430 3.918 30 20 CHED Cc1cccc(C)c1CNCCc1ccc(C#N)cc1 594954974 IYWLUGVRFGRVPF-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)CCOc2ccccc2)c1 744460127 BBIGWCHXOWKELD-OAHLLOKOSA-N 293.366 3.712 30 20 CHED C=C(C)CCOC(=O)c1ccnc(OCc2ccccc2)c1 744303499 FDCJTPNGVRZPPO-UHFFFAOYSA-N 297.354 3.784 30 20 CHED Oc1ccc2ccccc2c1/C=N\[C@H]1CCCSC1 749008035 RSPYJXPTCZXKTQ-NWRYFCBHSA-N 271.385 3.860 30 20 CHED C[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)CC1 845447183 ZWSRGWIPRDVRNL-JHJVBQTASA-N 282.343 3.830 30 20 CHED CCN(CCCNCC(C)(C)CCC#N)C1CCCCC1 593660647 LWUURQQOUXHCQA-UHFFFAOYSA-N 293.499 3.951 30 20 CHED Fc1ccc(C=NNc2cc(F)c(F)c(F)c2)c(F)c1 747641669 CPKFPMWYNJVQIX-UHFFFAOYSA-N 286.203 3.828 30 20 CHED C=CCCN(C)c1noc2ccc(Br)cc12 685915765 KFULGSVPXVVXBI-UHFFFAOYSA-N 281.153 3.603 30 20 CHED Cc1cc(NN=CC[C@@H](C)c2ccccc2)nc(C)n1 755647727 DBWSPPRRTQHMPR-GFCCVEGCSA-N 268.364 3.685 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cc(OC)ccc2O)cc1 757466952 ASLBRQAYCRTCHZ-UXBLZVDNSA-N 298.338 3.696 30 20 CHED C#C[C@@H](CC)Nc1ccc(C(F)(F)F)c(Cl)n1 752929811 UNZFTVNGVGNNRY-ZETCQYMHSA-N 262.662 3.578 30 20 CHED CCCCCCCn1cc(C#N)c(=O)c2nc(C)ccc21 751811502 SBTDMLBYYHVEKN-UHFFFAOYSA-N 283.375 3.547 30 20 CHED COc1cccc(NN=Cc2c(O)cccc2Cl)c1 755609299 UHYRZTADYDHUKE-UHFFFAOYSA-N 276.723 3.500 30 20 CHED CCCCCCCCOCC(=O)N1CCC[C@H](CC#N)C1 855255121 WYZOHMUSHRTMKJ-MRXNPFEDSA-N 294.439 3.516 30 20 CHED C=C[C@H](CC(=O)Oc1ccc2c(c1)OCO2)c1ccccc1 759183050 DDSDGZIKXPZMQE-CYBMUJFWSA-N 296.322 3.681 30 20 CHED C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 755127151 MMQZLFNVMGSZJY-JTQLQIEISA-N 287.265 3.754 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)ccn2)C1(CC)CC 755906597 NBABMKZUBSCASQ-CQSZACIVSA-N 275.396 3.773 30 20 CHED CCCCCCCCCCNC(=O)N1CCC(OC)CC1 755251680 XCUFKVCYQGXTCT-UHFFFAOYSA-N 298.471 3.948 30 20 CHED Cc1ccnc(NN=C2CCCC[C@H]2N2CCCCC2)c1 755905820 KEJBONIHIJQSGQ-MRXNPFEDSA-N 286.423 3.586 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C\c1ccsc1 851213502 HOTNSQQZYPVUOC-DOGVGXBMSA-N 263.362 3.633 30 20 CHED CS[C@H](C)CC(=O)[C@@H](C#N)c1ccc2ccccc2n1 757390776 QRPQRNGTNUHFKE-YPMHNXCESA-N 284.384 3.553 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(N)cc1C 758118529 YTOWAUJVRKTYNO-UHFFFAOYSA-N 298.346 3.630 30 20 CHED C[C@H](OC(=O)c1ccc2sccc2c1)C(C)(C)C#N 753616660 SCDQOQURKAOTBM-JTQLQIEISA-N 273.357 3.996 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1ccoc1 755890715 PFPIRULTICABFA-UHFFFAOYSA-N 254.333 3.995 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](O)c1cccc2ccccc12 855483029 FNXRLTRDPUJPRU-MJGOQNOKSA-N 297.398 3.592 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)OC(C)(C)C#N 753990411 MVMQTNQNRWFLFY-STQMWFEESA-N 271.360 3.821 30 20 CHED C#CCOCCN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C 753761620 NYKDYYGQLKJWCA-HNNXBMFYSA-N 299.336 3.642 30 20 CHED C/C(=C\C(C)(C)C)C(=O)Nc1nc(C)cc(C)c1C#N 857638835 AKOPXHQINKXCBY-DHZHZOJOSA-N 271.364 3.501 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccccc1OC(F)F 924592341 OTGKZGCCFFJVLC-NSHDSACASA-N 282.334 3.706 30 20 CHED C[C@H]1CCCCN1N=C1CCC(C(=O)OC(C)(C)C)CC1 853379737 MGBVGYFFAHWYOK-LSLKUGRBSA-N 294.439 3.749 30 20 CHED C=CC[C@H](N[C@@H]1CCCc2scnc21)c1ccncc1 858365663 QAVUQPLUWYWVLZ-UONOGXRCSA-N 285.416 3.823 30 20 CHED CCOc1ccc(C=NOCCC(F)(F)F)c(C)c1 853335545 AUHHCVRNNQLFLM-UHFFFAOYSA-N 275.270 3.697 30 20 CHED CCC/C=C/C(=O)Nc1cc(C#N)ccc1NCCC 759224110 MEGAITMMVCRAAA-VOTSOKGWSA-N 271.364 3.675 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)OCCC(C)(C)C#N 755142545 XKQXMNGVDOEZLX-LBPRGKRZSA-N 253.386 3.932 30 20 CHED C=CC[C@@H](NC(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccncc1 750642394 MDQDOHIIVZJZMJ-IXDOHACOSA-N 299.418 3.530 30 20 CHED CCC1(C)CCC(=NNc2nccnc2Cl)CC1 751529796 WIIHBHKSSJBECT-UHFFFAOYSA-N 266.776 3.888 30 20 CHED CN(Cc1ccccc1)c1ccc(Cl)cc1C#N 52859511 FHTPPBSTHWYHKY-UHFFFAOYSA-N 256.736 3.848 30 20 CHED N#CCC1(CN(Cc2nc3ccccc3s2)C2CC2)CC1 932394642 NYNUBFILPCZKEV-UHFFFAOYSA-N 297.427 3.955 30 20 CHED CC(C)SCOc1ccc(Br)cc1C#N 863314708 VFOIIDFSKPHOCI-UHFFFAOYSA-N 286.194 3.799 30 20 CHED CCON=C(Cc1ccccc1)Cc1ccccc1 767462412 KHRAWPHHQVWXSJ-UHFFFAOYSA-N 253.345 3.864 30 20 CHED CCC(C#N)(CC)C(=O)OCCCCC(C)(C)C#N 860197928 JLHGZWBFZQGGOV-UHFFFAOYSA-N 264.369 3.580 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(COCC)c1 931544791 HWQWQUDKFYAWFP-CYBMUJFWSA-N 261.365 3.764 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)OCc1cc(F)ccc1C#N 769168953 CWKRJLTXEXYGTR-NWDGAFQWSA-N 275.323 3.567 30 20 CHED C#CCN(C(=O)[C@@H](C)c1c(Cl)cccc1Cl)C1CC1 763801057 CBWGMXLPEXMDNO-JTQLQIEISA-N 296.197 3.721 30 20 CHED N#CCc1ccccc1Cc1nc([C@@H]2CCCCS2)no1 762390595 WONXXHROTWCVGQ-AWEZNQCLSA-N 299.399 3.685 30 20 CHED C=C[C@@H](CC)CC(=O)N(CCC#N)c1ccc(C)cc1 930979615 MXNSWMJCGQDVDY-HNNXBMFYSA-N 270.376 3.844 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)OCc1ccc(C#N)cc1F 769177197 HZQLWCHGJNAZBT-AAEUAGOBSA-N 275.323 3.567 30 20 CHED CCCCCCCNC(=O)c1cnc([C@H](C)OCC)s1 862358861 YDBITGXOBXZLOH-LBPRGKRZSA-N 298.452 3.941 30 20 CHED N#Cc1ccccc1C=NNc1c(F)cccc1Cl 769827018 MFVNKRWRUFSDJR-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C=CC[C@H]1N(C(=S)NCC(C)C)CCCC1(C)C 766523907 DQIROVQDURBKOT-CYBMUJFWSA-N 268.470 3.584 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cccc(COC(C)(C)C)c1 933198535 FNKAQFVUQLMKHS-LBPRGKRZSA-N 292.379 3.629 30 20 CHED C/C=C(/C=C\C(=O)OCc1ccccc1C#N)CC 767663329 LTIUCIALFPDYBU-VWBNHAHASA-N 255.317 3.514 30 20 CHED C[C@H](CCc1ccsc1)NCc1cc(C#N)ccc1F 765619863 SFDZNPYIRDDATR-GFCCVEGCSA-N 288.391 3.870 30 20 CHED Clc1cccc(CNN=C2CCCc3scnc32)c1 863101557 YIILUJWRZXPWDV-UHFFFAOYSA-N 291.807 3.627 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C/c2cnccc2C)CCCC1(C)C 767227606 GVPMEZYXXTWYJC-IJDCCNJMSA-N 298.430 3.997 30 20 CHED N#Cc1cc(C(=O)N2CCC(C3CCCC3)CC2)cs1 1117870638 HLGHCCVQULFMLX-UHFFFAOYSA-N 288.416 3.662 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)OCCCCC(C)(C)C#N 768868810 GFZPRGXAMQBBCJ-CJNGLKHVSA-N 265.397 3.932 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2 767072331 UKICKRLTPMYXQD-LLVKDONJSA-N 290.432 3.646 30 20 CHED CC(=NOC1CCOCC1)c1cc2c(s1)CCCC2 774451177 PAWXRKFISDMKBQ-UHFFFAOYSA-N 279.405 3.547 30 20 CHED C=CCN(C)Cc1ccc(SC(F)(F)F)cc1 779188254 JTFLWSDQSVFCCG-UHFFFAOYSA-N 261.312 3.916 30 20 CHED CCC[C@@H](Nc1cccc(CC#N)n1)C1CCCC1 1118003846 IOTCYVUDVFJCLC-OAHLLOKOSA-N 257.381 3.918 30 20 CHED C#CCCCCCCN1CCC[C@H]1c1cc(C)on1 876590909 AHHXDZMITUROBO-INIZCTEOSA-N 260.381 3.704 30 20 CHED Cc1cc(C)n(CCSCc2ccc(C#N)cc2C)n1 1118033504 MAFCOGBWXLAWHS-UHFFFAOYSA-N 285.416 3.613 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](CC)c1ccncc1 878903011 KDMYPYZRTJLAAQ-AWEZNQCLSA-N 260.381 3.593 30 20 CHED C#CCCNC(C)(C)c1ccc(OCC(C)C)cc1 775393030 JUNGSARAQORZPE-UHFFFAOYSA-N 259.393 3.569 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1csc(C#N)c1 1118004769 WUUFCESIBRYJLZ-CHWSQXEVSA-N 276.405 3.564 30 20 CHED N#Cc1ccc(/C=C2\Oc3c(Cl)cccc3C2=O)c(F)c1 772805324 GFARFWIWBJGKDZ-AUWJEWJLSA-N 299.688 3.967 30 20 CHED C=CCCC[C@H](C)OC(=O)c1cc2ccccc2nc1O 773872602 SBCLCRWPHBEZHS-LBPRGKRZSA-N 285.343 3.842 30 20 CHED COc1ccc2cc([C@@H](C)NCC3(C#N)CC3)ccc2c1 776008328 QLIAGNMBLLDDEI-CYBMUJFWSA-N 280.371 3.803 30 20 CHED C=C(C)CN(C)C(=S)NC[C@@H](CC)CCCC 777917970 GNRBELGHOLHJQD-ZDUSSCGKSA-N 256.459 3.585 30 20 CHED CC(C)c1nccnc1NN=Cc1c[nH]c2ccc(F)cc12 773089884 AEQKDNIVPIDUKE-UHFFFAOYSA-N 297.337 3.666 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(F)cc1 785861615 HREQKOOGZYFQNT-CZUORRHYSA-N 275.367 3.571 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccc(C(=O)O)cc1 783769693 IFFPRKQLWUICQR-AAEUAGOBSA-N 260.337 3.609 30 20 CHED CC[C@H](C)CONc1nccc(Oc2cccc(C#N)c2)n1 882392935 UZYCTBHZXJMGGJ-LBPRGKRZSA-N 298.346 3.530 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc(CC(C)C)cc1 788030438 NVIICKLIAQZDOQ-MRXNPFEDSA-N 275.392 3.662 30 20 CHED C#CCC1(C(=O)Nc2ccc(F)cc2F)CCCCC1 788423562 KKZMOCKALPWJLO-UHFFFAOYSA-N 277.314 3.877 30 20 CHED CC1(N2CCCC2)CCC(=NN[C@H]2C[C@H]3CC[C@H]2C3)CC1 884445302 JVYYQQDYVJMCKE-CFDUMUSFSA-N 289.467 3.549 30 20 CHED C=CC(C)(C)CC(=O)O[C@H]1CCCc2cccnc21 1123337930 OQZQBMKZRIVODA-ZDUSSCGKSA-N 259.349 3.605 30 20 CHED CC(=NNc1ccc(F)cc1)c1cnn(C(C)C)c1C 787147184 CHPQORKDNQDELN-UHFFFAOYSA-N 274.343 3.748 30 20 CHED C/C(=C\C1CCC(C)CC1)C(=O)N(CC#N)c1ccccn1 892472595 BMDCLMLJRCBFQE-FYWRMAATSA-N 297.402 3.711 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn3cc(C)ccc3n2)cc1 789127614 OFYUYYYXTQSNGQ-CMDGGOBGSA-N 276.339 3.847 30 20 CHED Cc1cc(COc2c(C)ccnc2Cl)ccc1C#N 783041122 CVZFIIBQCDTDBX-UHFFFAOYSA-N 272.735 3.803 30 20 CHED Cc1ccc2nc(/C=C3\CCCC(C)(C)C3=O)cn2c1 789141389 DQXQBXLPQRDASI-UKTHLTGXSA-N 268.360 3.805 30 20 CHED CC(C)n1cc2c(n1)[C@H](Nc1ccc(C#N)cc1F)CCC2 785843466 IOSWTOYKDIZYLC-MRXNPFEDSA-N 298.365 3.964 30 20 CHED CCCCO[C@@H]1CC(=NNc2ncncc2Cl)C1(C)C 780274552 ABXSZRFBIQSEHM-GFCCVEGCSA-N 296.802 3.513 30 20 CHED CCC1=C(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CCCO1 784927678 SNGUGWVHDNBPTK-LBPRGKRZSA-N 285.343 3.637 30 20 CHED CC1(C)C[C@@H](NN=C2CCc3cc(Cl)ccc32)CCO1 780241038 KZRVTNLYHBPPTH-ZDUSSCGKSA-N 292.810 3.538 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NN[C@@H]1CCOC(C)(C)C1 780245784 AXEXUKRCQYMSFX-ZIAGYGMSSA-N 286.419 3.754 30 20 CHED C#CCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245795495 AJHZMMAGLWQYNP-OWCLPIDISA-N 261.409 3.513 30 20 CHED C=CCCC[C@@H](N)c1nc(Cc2ccccc2Cl)no1 899992659 CBPPSQJXKBGLTL-CYBMUJFWSA-N 291.782 3.670 30 20 CHED Cc1nsc(N(C)C(=O)c2cccc(C(C)C)c2)c1C#N 891423719 NLKITGHBERMAJP-UHFFFAOYSA-N 299.399 3.723 30 20 CHED C#C[C@@H](NC1CCC(C(F)(F)F)CC1)C(C)(C)C 702267787 SRSOBGQYSGOMOD-HTAVTVPLSA-N 261.331 3.745 30 20 CHED COCCN(C)N=C(CC(C)(C)C)c1ccc(F)cc1 794963401 SZEMSJQIOFYSLK-UHFFFAOYSA-N 280.387 3.544 30 20 CHED C#CCSCCN[C@H](C)c1cc(C)c(OC)c(Cl)c1 796817246 MHPCNGIGJZGPCQ-GFCCVEGCSA-N 297.851 3.674 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCC2CCCC2)cc1 796039570 GXGQAFPWRNFNBZ-UHFFFAOYSA-N 271.360 3.835 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NNc1ncccc1C 790185161 DEKRDXKVLPCUOM-UHFFFAOYSA-N 295.386 3.896 30 20 CHED O=C1/C(=C/c2ccc(F)cc2F)CCc2ccc(O)cc21 794959599 BRXHNVAPZIMSIP-KPKJPENVSA-N 286.277 3.883 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2F)Cc2ccccc21 793498031 NYPQHDPGGYTRED-CYBMUJFWSA-N 280.346 3.817 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2ccc(F)c(C#N)c2)c1 790533345 KOWDACKMYKEWPY-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CCCCCCCCCN1CCN(C[C@H]2CCCO2)CC1 792198319 CKTFSKQNBHMMMN-GOSISDBHSA-N 296.499 3.534 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(C)c(C#N)c1 799695446 JMHFQHZGQFXNHL-RHSMWYFYSA-N 284.403 3.908 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCCc3sccc32)cc1C#N 799366404 ICOBLTRHCRMMNG-HNNXBMFYSA-N 296.395 3.736 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1ccc2c(c1)CCCC2 797955387 NOIFDABBIYXULP-UHFFFAOYSA-N 281.311 3.558 30 20 CHED CC(C)O[C@@H]1CC(=NNc2cccc(Cl)n2)C1(C)C 793175119 OFCSHAPYSNPLQN-LLVKDONJSA-N 281.787 3.726 30 20 CHED CC[C@H](C)NN=Cc1c(OC)ccc2ccccc12 790191034 XPNHOIWABBETQE-LBPRGKRZSA-N 256.349 3.570 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCc3c(C)cccc32)cc1C#N 799332879 FEHHUZLPOHVVIN-GOSISDBHSA-N 290.366 3.592 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](CO)c1ccc(F)cc1 793541549 RHRBFHUYBGBZNG-RHSMWYFYSA-N 279.399 3.974 30 20 CHED C=C(C)CCOC(=O)C[C@H](CC#N)c1ccccc1 796731743 AJUDQMRHTDSKLT-HNNXBMFYSA-N 257.333 3.583 30 20 CHED N#Cc1cc(Cl)nc(N[C@H]2CCCC(F)(F)C2)c1 695124196 NPLXQJQPIOTCST-VIFPVBQESA-N 271.698 3.596 30 20 CHED Cc1cc(C)c2nc(NCc3ccnc(C#N)c3)sc2c1 1163204798 CBYQJBJPVWGBPT-UHFFFAOYSA-N 294.383 3.792 30 20 CHED N#CCCCCCC(=O)Nc1cccc(CN2CCCC2)c1 1327082794 SWCJWXORAIQXIK-UHFFFAOYSA-N 299.418 3.695 30 20 CHED CC(C)(CC1CCCCCC1)Nc1ccnc(C#N)n1 1186131254 LBAUXTMTBKDBSW-UHFFFAOYSA-N 272.396 3.899 30 20 CHED COCc1ccc(Sc2cc(C)c(C#N)cn2)cc1 1185585142 XMGOIAXMPHKMSD-UHFFFAOYSA-N 270.357 3.559 30 20 CHED Cc1ccc(NN=Cc2cc(F)ncc2F)cc1Cl 1323313191 ZFDKBNZXQXJULK-UHFFFAOYSA-N 281.693 3.768 30 20 CHED N#Cc1ccc(-c2nnc([C@@H](F)Cc3ccccc3)o2)cc1 1327796638 SGRCLKFJGVUWIH-HNNXBMFYSA-N 293.301 3.862 30 20 CHED C#CCCCCCC(=O)O[C@@H]1c2ccccc2OC[C@@H]1C 1320242398 OYSFDVRLSJQNQS-KSSFIOAISA-N 286.371 3.883 30 20 CHED N#Cc1ccsc1NC(=O)N[C@@H]1CCCc2ccccc21 1186417316 YYJMEFCIZJLNOB-CQSZACIVSA-N 297.383 3.819 30 20 CHED CCCc1ccc(C(=O)N[C@@H](C#N)C2CCCC2)s1 1333462578 WDTWJZAMMYKOAT-ZDUSSCGKSA-N 276.405 3.513 30 20 CHED C=C(Cl)CN(CCC)[C@H]1C[C@@H](OCC)C1(C)C 1191099121 IUJQKJVPPLCZIG-QWHCGFSZSA-N 259.821 3.655 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C1CCC(F)(F)CC1 1262809573 JWQANVGOCXIANT-CYBMUJFWSA-N 271.351 3.769 30 20 CHED CCCC[C@H](C(=O)O[C@@H]1CC[C@@H](C#N)C1)C(C)C 1263386645 YUYCINHAGPTLKU-MCIONIFRSA-N 251.370 3.684 30 20 CHED CC[C@@H](CC#N)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1343328863 TXWSOGMXOWIJKF-JTQLQIEISA-N 290.750 3.979 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1 1262654974 YEQDUHPTYFAAQX-AWEZNQCLSA-N 288.778 3.782 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(OCCC)c(OC)c1 1345632572 LURWWDQFLRWPGM-ZDUSSCGKSA-N 291.391 3.627 30 20 CHED N#Cc1cccc(N(C(=O)CCc2ccoc2)C2CCC2)c1 1262101310 VMEKMFPPMFBAKN-UHFFFAOYSA-N 294.354 3.670 30 20 CHED CCC/C=C\C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1263620312 RAKPAQJVHDPCJD-NAXAJZLFSA-N 287.750 3.749 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1C[C@H](C)C[C@@H]1C 1343680269 VHTBAWNAWOWJCO-KGLIPLIRSA-N 286.423 3.523 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)c1cccn1C)c1cccs1 1348801208 YVNHNODFLQCQDV-SMDDNHRTSA-N 288.372 3.534 30 20 CHED C[C@H](NC(=O)CC1(C#N)CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2 1352334806 VPMDSKQJTIOZAM-YHUYYLMFSA-N 288.435 3.791 30 20 CHED C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N(C)CCC 1356200338 PBJSDWOQPRWRMM-ZDUSSCGKSA-N 294.443 3.577 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@H](C)C1 1507853658 KHHBSZZTYMKWBX-IJLUTSLNSA-N 296.846 3.636 30 20 CHED COc1cc(CNCCCC2CCCC2)ccc1C#N 225254581 ODEKYINJDYFFEP-UHFFFAOYSA-N 272.392 3.627 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccc(F)c3ccccc23)C1 1516784091 ZBHBLWBHBYXWEJ-VXGBXAGGSA-N 283.302 3.828 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC[C@H]1CCCC[C@H]1C 1360500724 QDAHORRWBZNRHV-UKRRQHHQSA-N 284.403 3.813 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(C2CCCCC2)c(C)s1 1298164757 QRPDGVYFVVBUBQ-NSHDSACASA-N 291.420 3.988 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCC(CC)CC1 1520423406 TYUREHZCULEKNI-LBPRGKRZSA-N 294.468 3.515 30 20 CHED CCCCCCCNC(=O)Nc1cc(C(=O)O)ccc1F 1605267322 KRJRNUPFDZKPSJ-UHFFFAOYSA-N 296.342 3.616 30 20 CHED CC(C)(C#N)CCCCSCc1cccc(C(=O)O)n1 1609647492 QAMBYOVYXGHMFG-UHFFFAOYSA-N 292.404 3.733 30 20 CHED CCc1ccccc1NC(=O)c1cc(C#N)ccc1C 1530805633 LLWYAXNDPQMTPC-UHFFFAOYSA-N 264.328 3.681 30 20 CHED C=C(CC)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 1548708242 LWTIPPMLUMWVQC-SNVBAGLBSA-N 269.797 3.861 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)c1nc(C#N)c(Cl)s1 1612067159 MCTHFWMNNOCJHL-QMMMGPOBSA-N 293.779 3.571 30 20 CHED CCCOc1ccc(CNc2cc(C)c(C#N)cn2)c(C)c1 1642562865 NPEMSZPRWIPAPI-UHFFFAOYSA-N 295.386 3.971 30 20 CHED CCC[C@@H]1CCCCN1Cc1cc(F)ccc1C#N 230649516 NHBFYLZLRPJMRE-MRXNPFEDSA-N 260.356 3.852 30 20 CHED N#Cc1ccc(CCN(C2CCCCC2)C2CC2)cc1 1657065312 IBOGJRUDFGBJDF-UHFFFAOYSA-N 268.404 3.898 30 20 CHED Cc1cc(Nc2ccc(-c3ccon3)cc2)ncc1C#N 1655884725 ZABCXKYTLIDRNN-UHFFFAOYSA-N 276.299 3.660 30 20 CHED Cc1ccc(C[C@@H]2CCCN2C[C@@H](C)CCC#N)cc1 1651857501 INLSTGKGWGXYIT-WMZOPIPTSA-N 270.420 3.942 30 20 CHED Cc1cc(N(C)Cc2ccc(Cl)s2)ncc1C#N 1651294103 YHHPIYYSPRGYBM-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(C(=O)O)c1Cl 1588451054 LANVSPXCWHWKEB-AWEZNQCLSA-N 299.729 3.718 30 20 CHED Cc1ccc(CNc2ccc(F)cc2OCC#N)c(F)c1 1664226160 VBTVTBWIYKNIGC-UHFFFAOYSA-N 288.297 3.788 30 20 CHED C=C(Cl)CNCc1cn(-c2ccc(Cl)cc2)nc1C 1661540418 VPHPQGQIGNUYBU-UHFFFAOYSA-N 296.201 3.676 30 20 CHED C=CCCCCCCCCN=c1cc[nH]cc1C(=O)O 1776207960 OERJQVXCTCCUSB-UHFFFAOYSA-N 276.380 3.530 30 20 CHED C=CCCC[C@@H](Nc1nc(C(=O)O)co1)c1ccccc1 1776172124 WTWVPKLTXXKIEW-CYBMUJFWSA-N 286.331 3.882 30 20 CHED Cc1c(NN=C[C@@H]2C[C@H]2c2ccccc2)cccc1C(=O)O 1776087526 HXMVLLBBGISYFM-HOCLYGCPSA-N 294.354 3.895 30 20 CHED C=C(C)CN(C)[C@@H](C(=O)O)c1c(Cl)cccc1Cl 1776139587 SOZDXJICUQMPSF-GFCCVEGCSA-N 288.174 3.627 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccc(CC)cc1)C(C)C 161426386 MRUXILUQAKVFHO-INIZCTEOSA-N 274.408 3.774 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1cc(F)ccc1F 160305322 FYGHXHDTSJANCZ-UHFFFAOYSA-N 265.303 3.696 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cccc(O)c1 205512719 GARGQUUSTHFRCU-FPLPWBNLSA-N 268.312 3.605 30 20 CHED C=CC[C@@H](C)[C@H](C)NCCc1c[nH]c2ccccc12 151313457 RPDYNGAUZUBHJQ-KGLIPLIRSA-N 256.393 3.901 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1)c1cc(O)cc(O)c1 152693296 RNYUNKRSWPCKOX-ZZXKWVIFSA-N 274.703 3.647 30 20 CHED CC(C)c1ccc(OC[C@@H](O)c2ccc(C#N)cc2)cc1 153427173 FRYAFPXWOGBUQF-GOSISDBHSA-N 281.355 3.794 30 20 CHED C=CC[C@@H](C)NCc1ccc(F)cc1C(F)(F)F 156937542 QBYUVVHZSQULSU-SECBINFHSA-N 261.262 3.899 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1cccc(-c2cccs2)c1 159039638 XQHZCTOANGDCAZ-NSHDSACASA-N 285.372 3.839 30 20 CHED C#Cc1ccc(CNCc2ccc(OC)c(Cl)c2)cc1 809628248 FWFYXKHPRTZPTB-UHFFFAOYSA-N 285.774 3.620 30 20 CHED CCN(Cc1cc(C#N)ccc1F)C1CCCCC1 19804720 YHJWIZAYYPPQCC-UHFFFAOYSA-N 260.356 3.852 30 20 CHED C=CCCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 167444199 AQJYYVSXDXUBBS-NSHDSACASA-N 259.309 3.623 30 20 CHED CO[C@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 37253471 VLSCNDRPKHUTCC-KBPBESRZSA-N 264.756 3.581 30 20 CHED CCCN(Cc1ccc(C#N)cc1Cl)CC(F)(F)F 162893797 DUAGMLZBGPMYGF-UHFFFAOYSA-N 290.716 3.986 30 20 CHED C=C(C)COCCN[C@H]1CCSc2c(F)cccc21 163513006 HKDRKOLAXVYCNC-AWEZNQCLSA-N 281.396 3.545 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccc(C)cc1 44766774 LTQUOJHTVRHHEJ-ZDUSSCGKSA-N 258.365 3.502 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccc(C)s1 49158967 ZPJMNSZGPHTOJP-CQSZACIVSA-N 285.412 3.919 30 20 CHED Cc1ccc(Oc2nnc(C)c(C)c2C#N)c(Cl)c1 54351062 WRPULCGATWDQDS-UHFFFAOYSA-N 273.723 3.719 30 20 CHED C=CCN(Cc1ccccc1)Cc1cncc(C)c1 189760617 WVHUUYPIEUVLKY-UHFFFAOYSA-N 252.361 3.578 30 20 CHED CC1(C)CCCC[C@H]1NCc1ccc(C#N)c(F)c1 404138446 YTVZCPXXTMVKOL-OAHLLOKOSA-N 260.356 3.756 30 20 CHED C[C@H]1[C@@H](NCC(C)(C)CCC#N)CCN1Cc1ccccc1 309842921 WWYLWLREKKHSGC-WMZOPIPTSA-N 299.462 3.569 30 20 CHED CCC1(CNc2cccc(Cl)c2C#N)CCOCC1 311898508 BWPBKAGGTZISFQ-UHFFFAOYSA-N 278.783 3.830 30 20 CHED CN(C(=O)c1cc(F)ccc1Cl)c1ccc(C#N)cc1 312913505 BGQYWZCBKQRLKK-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C[C@H](CNc1nc(C(F)(F)F)ccc1C#N)C(F)(F)F 355778811 FRGMUJJVLXYGHK-ZCFIWIBFSA-N 297.202 3.582 30 20 CHED Cc1nc(Oc2cccc(F)c2C#N)c(Cl)cc1C#N 336836104 VUHQIELHULUQKN-UHFFFAOYSA-N 287.681 3.718 30 20 CHED CC(CSC(C)(C)C)=NNCc1ccccc1 729636975 SSHBYTCZNARNBF-UHFFFAOYSA-N 250.411 3.684 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)CC1CC1 108238043 XPAISYKDUWEYGH-NSHDSACASA-N 274.389 3.677 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(F)cc1 56212289 UYTMUNHHHHMCDZ-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1ccc(C#N)cc1 172994466 GRMYEGPSCOOXTN-YJBOKZPZSA-N 298.430 3.918 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(C)c2C)CC1 111699963 OPWPWFGDYPRGIY-UHFFFAOYSA-N 258.365 3.733 30 20 CHED CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 108903041 SXAUXMLPCIIGCH-ZWKOTPCHSA-N 292.382 3.705 30 20 CHED N#Cc1cc(NC(=O)Nc2cccc3[nH]ccc23)ccc1F 172224425 XOKCDMCKEKKLGB-UHFFFAOYSA-N 294.289 3.823 30 20 CHED C=CCCCC(=O)Nc1cc(C)c(Cl)cc1OC 177461851 COTKYSNYVYLISQ-UHFFFAOYSA-N 267.756 3.952 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)c2ccc(F)cc2)CC1 110366550 BKMNLUIIAFKRDI-CYBMUJFWSA-N 275.367 3.744 30 20 CHED CC1CCC(N(C)C(=O)/C=C/c2ccccc2C#N)CC1 25628153 MYYOJAWEQZGJAB-FMIVXFBMSA-N 282.387 3.609 30 20 CHED C[C@@H](SCCC(=O)NC(C)(C)C)c1ccc(C#N)cc1 118444583 YAXJTRFDDHOOIG-GFCCVEGCSA-N 290.432 3.657 30 20 CHED N#CCCCN[C@H]1CCCC[C@@H]1Cc1ccccc1 119097331 CRNLYBFDTJVAEO-SJORKVTESA-N 256.393 3.681 30 20 CHED C[C@H](CSc1ccccc1)C(=O)[C@H](C#N)c1ccccn1 111944501 DKJOFNCJWSLWCH-UKRRQHHQSA-N 296.395 3.686 30 20 CHED Cc1ccccc1C1CCN(c2ccc(C#N)cn2)CC1 301212654 XXBNUDHMASSSEZ-UHFFFAOYSA-N 277.371 3.646 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1ccccc1C(F)(F)F 112534953 ANSAAYVSNHCASE-NWDGAFQWSA-N 295.308 3.800 30 20 CHED C#CCCCCC(=O)N[C@H](c1ccccc1)C(F)(F)F 119684646 HNBPBIBRXHLESC-CQSZACIVSA-N 283.293 3.600 30 20 CHED CC[C@H]1CN(c2c(Cl)cccc2C#N)CCS1 301457803 SOEFVZUPGMCLTL-NSHDSACASA-N 266.797 3.543 30 20 CHED Cc1cc(F)cc2c(N3C[C@H](C)[C@@H](C)C3)c(C#N)cnc12 301467889 YOWJYSKSLGKWOZ-RYUDHWBXSA-N 283.350 3.646 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(SC)cc1 177864578 XPAADZDTYIWCED-UHFFFAOYSA-N 267.419 3.656 30 20 CHED N#Cc1cccc(N2CCCC[C@H]2Cc2ccccc2)n1 301816244 DODZVUURJFFLBA-KRWDZBQOSA-N 277.371 3.555 30 20 CHED C[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)c2ccccc21 177707525 NYAHGGFKDQIFJA-KUHUBIRLSA-N 292.382 3.605 30 20 CHED N#Cc1ccc(OCc2nc3ccc(F)cc3o2)c(F)c1 127462912 MLEIHNQQLXAUBP-UHFFFAOYSA-N 286.237 3.557 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccccc1O 179562218 RSJRJQYXFNFOPQ-UHFFFAOYSA-N 283.371 3.589 30 20 CHED CC[C@@H](C)CS[C@@H]1CCN(c2sccc2C#N)C1=O 123923445 QJTATEWRHXHWPF-ZYHUDNBSSA-N 294.445 3.504 30 20 CHED C=C(C)CNC(=O)CCSc1ccc(Cl)cc1 123057687 XCTDEYMOQTVTLN-UHFFFAOYSA-N 269.797 3.515 30 20 CHED C[C@@H](Nc1ccc(C#N)c(Cl)c1)C(=O)Nc1ccccc1 37393437 RTIMYXKTRNWJDV-LLVKDONJSA-N 299.761 3.651 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](CC)c1ccncc1 181391195 QIYMAXSBYPUFLK-ZBFHGGJFSA-N 289.423 3.919 30 20 CHED C=C(C)[C@@H](N[C@@H](C)CCCOC)c1ccc(F)c(F)c1 186454782 FTYUMLUMOUSFEL-BLLLJJGKSA-N 283.362 3.987 30 20 CHED Cc1cccnc1CSCCCOc1cccc(C#N)c1 180406351 DHCIMQMJYTXOLI-UHFFFAOYSA-N 298.411 3.964 30 20 CHED C[C@@H](CCc1cccc(F)c1)N(CCC#N)CC1CC1 183261599 BUHXISCFWMSVEJ-AWEZNQCLSA-N 274.383 3.772 30 20 CHED CCOCc1cccc(Nc2ccc(Cl)c(C#N)n2)c1 301557516 WZICMECCXVWDLV-UHFFFAOYSA-N 287.750 3.887 30 20 CHED COc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2C)c1 188884850 UFUNWSRTUXKRGR-CMDGGOBGSA-N 284.359 3.677 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccccc1O[C@H](C)C#N 188060521 CYVCTECTZDMHEH-MLGOLLRUSA-N 272.348 3.518 30 20 CHED CCCCC1CCC(C(=O)NCC2(C#N)CCC2)CC1 416358540 LHVSLWBNYTYQSD-UHFFFAOYSA-N 276.424 3.793 30 20 CHED CN(C(=O)C(C1CCC1)C1CCC1)c1cccc(C#N)c1 313872570 NYGUKPBAEFZYDZ-UHFFFAOYSA-N 282.387 3.737 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(F)c(C#N)c1 76880645 XJNTWQKIYLSJAA-UHFFFAOYSA-N 293.301 3.739 30 20 CHED CC#CCCCC(=O)NCC(C)(C)c1cccc(C)c1 185318439 DYAQBPQVGIDKQW-UHFFFAOYSA-N 271.404 3.582 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)CCCc1ccccc1 180872040 GZIQEJFRUFDJOB-HUUCEWRRSA-N 259.393 3.726 30 20 CHED O=C(/C=C/c1cccs1)c1c(Cl)nc2ccccn12 78023152 QHCMXQOLGOLHHQ-VOTSOKGWSA-N 288.759 3.945 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cc(C(CC)CC)no1 188453922 ACTMTISWNAEWKI-MRXNPFEDSA-N 278.396 3.797 30 20 CHED C=CCCNc1ccc(C(=O)N[C@H](C)CC)cc1C 77245596 PCJHNFZLNAJVKN-CYBMUJFWSA-N 260.381 3.511 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(OC)c2)cc1 33410943 FUXQAGDIFDLZMZ-FLIBITNWSA-N 268.312 3.600 30 20 CHED CC(C)(C)C[C@@H](NC(=O)c1ccc(C#N)cc1)C(F)(F)F 183006663 KYDJQYYTEWMDMF-GFCCVEGCSA-N 298.308 3.655 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC[C@H](O)C2)cc1C(F)(F)F 78305318 YDNRHKJMVJODFD-MFKMUULPSA-N 298.308 3.540 30 20 CHED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCC2CCCC2)c1 127471918 NNSRUPZBSRATII-MRXNPFEDSA-N 298.386 3.613 30 20 CHED N#Cc1ccc(NC2CCN(c3ccccc3)CC2)cc1 217877756 JNYWDUYFIYMXFN-UHFFFAOYSA-N 277.371 3.639 30 20 CHED N#Cc1cccc(CNc2ccc(-c3cnco3)cc2)c1 37775344 UEOIYQSIKDQCLX-UHFFFAOYSA-N 275.311 3.825 30 20 CHED CCC[C@@H](CN(CCC#N)CCC#N)c1ccccc1 180040803 LDRDCTYBFPENKU-KRWDZBQOSA-N 269.392 3.700 30 20 CHED CCCCN(C)c1ccc(C#N)cc1C(F)(F)F 78524602 IWUGKQFJPLIRSB-UHFFFAOYSA-N 256.271 3.813 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1 130159192 PQNRREJKICJRDN-QGZVFWFLSA-N 265.360 3.536 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CC2(C)C)cc1 505833128 NTKYBFZVKFQUQR-CABCVRRESA-N 284.403 3.711 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 133210256 STJWEGHZLCFJBB-LSDHHAIUSA-N 292.382 3.848 30 20 CHED CC(C)(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCC1 416099902 LYHZJSQYHOGUPN-QGZVFWFLSA-N 296.414 3.878 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc(Cl)s2)c1 71308675 XYDMIYRHUCWRLM-UHFFFAOYSA-N 280.755 3.702 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 184910565 MCWMNJIWWWFEHH-NSHDSACASA-N 297.320 3.932 30 20 CHED COc1cc(C#N)ccc1CN1C[C@H](C)[C@@H]1c1ccccc1 501211412 WAIDSSQBGJGWER-IFXJQAMLSA-N 292.382 3.760 30 20 CHED C#Cc1cccc(NC(=O)NCCC2=CCCCC2)c1 43986261 QXDXKWLTPKUNAM-UHFFFAOYSA-N 268.360 3.680 30 20 CHED C=C(C)[C@@H](NC[C@H](CC)OC)c1ccc(F)c(F)c1 419283828 ZPEYHUVRWDJAAJ-SWLSCSKDSA-N 269.335 3.597 30 20 CHED Cc1nc(C)c(CNc2cccc(C#N)c2C)s1 181450145 QBRHCQACGKRTAR-UHFFFAOYSA-N 257.362 3.552 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(-c2ccccc2)o1 410839430 ZLJPIQBFRMHRQJ-CQSZACIVSA-N 282.343 3.711 30 20 CHED C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(C)(C)C#N 131235063 PEHVWHYNCFMCAO-GFCCVEGCSA-N 284.359 3.582 30 20 CHED CCn1ncc2ccc(N=C(O)[C@@H]3CCC(=O)[C@@H](C)C3)cc21 329010675 ZQFOOVSQFIGYKJ-NWDGAFQWSA-N 299.374 3.650 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccccc2N2CCCC2)C1 193108696 NWVJANYBFOZDQF-GJZGRUSLSA-N 269.392 3.781 30 20 CHED CCCCCN1CC=C(c2ccc(C#N)cc2)CC1 502505153 DJEYNZUVALXDNS-UHFFFAOYSA-N 254.377 3.838 30 20 CHED C[C@H](OC(=O)c1cc2ccccc2o1)C(C)(C)C#N 130877747 VAZNYAAWZKVWPP-JTQLQIEISA-N 257.289 3.528 30 20 CHED Cn1c(COc2ccccc2C#N)nc2cc(Cl)ccc21 47346148 KZYJUTGFWDXJIK-UHFFFAOYSA-N 297.745 3.677 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc(F)c1C 421765703 ZVTHWJASAIXREX-UHFFFAOYSA-N 290.382 3.926 30 20 CHED C=CCCCCCCNCc1cn(C)nc1C(F)F 291050381 MZRLXKQSYYOUEO-UHFFFAOYSA-N 271.355 3.584 30 20 CHED Cc1cccc([C@@H]2CCCCN2c2cncc(C#N)n2)c1C 420606245 XLTWDKLJUKBFPL-KRWDZBQOSA-N 292.386 3.697 30 20 CHED Cc1ccc(NC(=O)c2cccc(CC#N)c2)c(C)c1 42192150 JEZSONJNTQAODM-UHFFFAOYSA-N 264.328 3.622 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)cc1 48624959 MJTFOZNEUKZOHE-YWEYNIOJSA-N 264.324 3.826 30 20 CHED COc1ccc([C@@H](NCc2ccccc2C#N)C2CC2)cc1 192507755 JUCMHHJPZWTWPC-IBGZPJMESA-N 292.382 3.808 30 20 CHED C#Cc1cccc(NC(=O)NC2CCCCCCC2)c1 48476362 CFQVQUQQMRKONQ-UHFFFAOYSA-N 270.376 3.902 30 20 CHED CC(C)=CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 190667836 AAWITWXMWXDCSH-UHFFFAOYSA-N 271.364 3.575 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(O)c2)cccc1[N+](=O)[O-] 130081599 SPWOBWKDROGREB-CMDGGOBGSA-N 283.283 3.505 30 20 CHED CCCCCCCCNc1ccnc(C(=O)O)c1 161037542 JHQRSFCAVFATPJ-UHFFFAOYSA-N 250.342 3.552 30 20 CHED CCN(CCc1ccccc1)c1ncc(C#N)cc1Cl 513618994 JPVWQLNRIVUWEY-UHFFFAOYSA-N 285.778 3.676 30 20 CHED C=C(C)C(C)(C)C(=O)N(CC)Cc1c(F)cccc1F 424631381 AEPXFGAJZDEFTQ-UHFFFAOYSA-N 281.346 3.916 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2ccsc2)SC1=S 192692352 XMVFLJASIANMJX-YHYXMXQVSA-N 281.427 3.525 30 20 CHED CC[C@H](/N=C(/O)NC(C)(C)CC(C)(C)C)C1CCOCC1 330970975 GTKYEMPMJKREFJ-AWEZNQCLSA-N 298.471 3.910 30 20 CHED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)o1 339689861 WYOYHEZNFJADOH-UHFFFAOYSA-N 282.343 3.511 30 20 CHED C=C(C)C(C)(C)C(=O)NCCC1Cc2ccccc2C1 424766168 JWXLBLRJJZMGRY-UHFFFAOYSA-N 271.404 3.510 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccn1C1CCCC1 428042852 DNENQQIGKLQJBO-CQSZACIVSA-N 272.392 3.784 30 20 CHED C[C@H](/C(O)=N/[C@@H]1CCCc2c[nH]nc21)c1ccsc1 330133943 RNXLNRKKDZYUIZ-JOYOIKCWSA-N 275.377 3.609 30 20 CHED Cc1coc(C)c1/C(O)=N/[C@H](C)c1nc(C(C)(C)C)no1 330470554 MTTDUWALIYSGQV-SECBINFHSA-N 291.351 3.643 30 20 CHED Cc1ccc(-c2cccnc2)cc1NC(=O)[C@]1(C#N)C[C@H]1C 336294279 PRGIFFMHLHUNBF-ACJLOTCBSA-N 291.354 3.545 30 20 CHED CC(C)(C)c1cnc(CNCc2ccc(C#N)s2)s1 421347768 CXORWQRXZIMHCG-UHFFFAOYSA-N 291.445 3.664 30 20 CHED C[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 331776225 LHIUSXQCBLBUFN-ZJOBFFGXSA-N 297.402 3.616 30 20 CHED C[C@H]1C[C@@H](C)N(Cc2ccc(Br)cc2C#N)C1 383384067 HDLSAUGYJXXGSE-WDEREUQCSA-N 293.208 3.551 30 20 CHED Cc1ccc2cccc(N[C@H]3CC[C@@H](C#N)C3)c2n1 334608739 YOYPITMCOMBVRI-OCCSQVGLSA-N 251.333 3.647 30 20 CHED CN(Cc1cccs1)C(=O)c1cc(C#N)ccc1Cl 335704284 CCCADQNYQZBPEQ-UHFFFAOYSA-N 290.775 3.545 30 20 CHED Cc1ccc(F)cc1/C(O)=N/[C@](C)(C#N)CC(C)C 331067433 QSNIYNCGFCUKKA-HNNXBMFYSA-N 262.328 3.767 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccccc1Br 148975500 SDMRMWGRCZTSIX-LLVKDONJSA-N 293.208 3.794 30 20 CHED Cc1cscc1CN[C@H]1CCc2ccc(C#N)cc21 335330012 ASRJHQZPZIETIM-INIZCTEOSA-N 268.385 3.705 30 20 CHED CC[C@H](C)n1nc(C(O)=Nc2ccnn2C(C)C)cc1C 330746613 UAIWDACIHICFJO-NSHDSACASA-N 289.383 3.576 30 20 CHED OC(=Nc1ncc(-c2ccccc2)cn1)C1CCCC1 330124573 LLKZSOBUHUOEQY-UHFFFAOYSA-N 267.332 3.922 30 20 CHED CCOCCSc1ccc(C#N)c(C(F)(F)F)c1 180389242 FANPJCXPEUNIQS-UHFFFAOYSA-N 275.295 3.706 30 20 CHED CO[C@]1(C)CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 230264753 UYZXCIBWTYKNTM-CQSZACIVSA-N 298.308 3.582 30 20 CHED C=CCCCCN[C@H](c1ccc(F)cc1)c1cnn(C)c1 515366732 PERRCRGHSLIHLZ-QGZVFWFLSA-N 287.382 3.595 30 20 CHED CCC1CN(c2c(C#N)cnc3c(Cl)cccc23)C1 514598477 BFAOQPVMQYQDHG-UHFFFAOYSA-N 271.751 3.606 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc(Cl)cc1 432562733 NOGRQRCPTPCOGL-UHFFFAOYSA-N 280.799 3.742 30 20 CHED Cc1ccnc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 334903173 CAPDYJPKLSOZSV-KBXCAEBGSA-N 291.398 3.990 30 20 CHED Cc1nc2cccc(/C(O)=N/CCC(C)(C)C)c2[nH]1 330425245 DIENXOLVAMABCM-UHFFFAOYSA-N 259.353 3.612 30 20 CHED Cc1ccc(F)c(NC(=O)N2CCC(CCC#N)CC2)c1 335469480 JNTDACJUMXSJIV-UHFFFAOYSA-N 289.354 3.682 30 20 CHED C=CCOc1ccccc1-c1nc([C@H]2CC[C@@H](C)O2)no1 528238656 MDVCDGIHKIAOLD-BXUZGUMPSA-N 286.331 3.541 30 20 CHED CC1(Cc2noc(-c3ccc(C#N)s3)n2)CCCC1 521941413 OUIKBSMSIZNDBT-UHFFFAOYSA-N 273.361 3.793 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(C)c1-c1ccccc1 343520430 HDQSNSPMBWTCRR-CQSZACIVSA-N 297.402 3.562 30 20 CHED C[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 245906655 HZFOWZDYKQGTNJ-JFUSQASVSA-N 297.185 3.515 30 20 CHED CC(C)[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCS1 249416302 ZKYLHTKZXXRCKJ-CJNGLKHVSA-N 274.433 3.693 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc2ccccc2o1 435744455 XNLYQRQIEFJTIE-YOEHRIQHSA-N 271.360 3.504 30 20 CHED Cc1nsc(N2CCC=C(c3ccccc3)C2)c1C#N 343165420 ZNVWPDCVVNEMNT-UHFFFAOYSA-N 281.384 3.617 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCCN1C1CCCC1 439971633 KBZNYNZPDMGFRV-QGZVFWFLSA-N 292.467 3.598 30 20 CHED C[C@H]1CCCN(CCCCN[C@H](C)c2ccc(C#N)cc2)C1 245932334 SOUAXIIHEQHHFR-DLBZAZTESA-N 299.462 3.721 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(-n2ccc(C)n2)cc1 343260947 RLSHQYAOOURSGS-AWEZNQCLSA-N 297.402 3.655 30 20 CHED CC[C@H](C)n1ncc(Nc2snc(C)c2C#N)c1C 340861801 UVMLEAIRCXLTLY-QMMMGPOBSA-N 275.381 3.543 30 20 CHED CC(C)(C)CCCC(=O)N1CCCC(C)(C)[C@@H]1C#N 434031147 LQEOLCPPLCLWLE-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED C=CCC[C@@H](NC[C@H](c1cccc(F)c1)N(C)C)C1CC1 439078459 LKLGWPQKGBQDJK-QZTJIDSGSA-N 290.426 3.763 30 20 CHED C=CCC[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccccc1 346625422 CEQSGRKQTUIADS-XIRDDKMYSA-N 259.393 3.851 30 20 CHED COc1ccc(C(=O)/C=C\c2cccnc2Cl)cc1F 255541924 VHJBPIDRNUMPIZ-XQRVVYSFSA-N 291.709 3.779 30 20 CHED CO[C@H](c1ccccc1Cl)[C@@H](C)NC[C@@H](C)CCC#N 602600436 JOWAPFCNYANVOV-ZENOOKHLSA-N 294.826 3.945 30 20 CHED COc1c(Cl)cccc1NCc1cccc(C#N)c1F 543166204 QCLKTFWIWIWJHZ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCCCN(CCC(F)(F)F)CC(F)(F)F 447840789 UTTGWYTVGAGIGH-UHFFFAOYSA-N 263.225 3.769 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1ccccc1CC#N 601273265 RYHOXGPMPXUBKG-HUUCEWRRSA-N 292.382 3.675 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1ccc(CC)cc1 609771011 ZPGAVRGIZZFEHN-UHFFFAOYSA-N 291.460 3.907 30 20 CHED CCCCOC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 442670777 DYBMXSVEEYVWNY-HNNXBMFYSA-N 286.419 3.900 30 20 CHED CC[C@H](C)n1ncc(NC(=O)Nc2cccc(C#N)c2)c1C 359079895 ODHAWKCDTUMEJJ-NSHDSACASA-N 297.362 3.678 30 20 CHED COc1cccc(C=Nc2ccc(OCC3CC3)cc2)c1O 255627901 CQQZVISZXICBKJ-UHFFFAOYSA-N 297.354 3.940 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](CC)C1CCC(C)CC1 359602319 YGZPVINSABRAQT-WUCCLRPBSA-N 264.413 3.647 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](C)CC1CCCCC1 359382590 PNEHBBADMKBZIP-AWEZNQCLSA-N 262.397 3.521 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(CC2(C#N)CC2)C1 538349836 PEPNALYFRYQCNJ-QGZVFWFLSA-N 268.404 3.635 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2cccc(CC#N)c2)CS1 449697216 LAJFPAXAAVRCNQ-HUUCEWRRSA-N 260.406 3.695 30 20 CHED C=CCC1(CNC2CCN(CCC)CC2)CCCC1 449607077 VOKMWPVLOHQOCO-UHFFFAOYSA-N 264.457 3.587 30 20 CHED CC(C)C[C@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 355692587 NEYGPZOIHNMCOZ-HNNXBMFYSA-N 286.419 3.836 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CO2 538507183 LNMGCGDJYHYRLX-YVEFUNNKSA-N 296.345 3.790 30 20 CHED C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(Cl)cc1 611142695 XFYJFSKCBQPXFT-GFCCVEGCSA-N 298.773 3.897 30 20 CHED C=CCCO[C@@H](C)c1nc([C@H](C)C(C)(C)C)no1 356885853 XWIQQCSYBKKVGO-QWRGUYRKSA-N 252.358 3.873 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C(C)C)nn1CC 537231941 QYFQREULHARLLA-CYBMUJFWSA-N 277.412 3.501 30 20 CHED CC1(C#N)CCC(Nc2cccc(OCCF)c2)CC1 449053759 CBLJMHPGPUIAAY-UHFFFAOYSA-N 276.355 3.919 30 20 CHED C[C@H](NC(=O)C(C)(C)C1CCC1)c1ccc(C#N)cc1 448662571 CDNLNNRXMKDDFH-LBPRGKRZSA-N 270.376 3.562 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn(CC(C)C)c1C1CC1 359744185 FYWBOQHBJHZLCA-QGZVFWFLSA-N 289.423 3.957 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 354304880 XZKMCEIQNJRXPL-GDBMZVCRSA-N 272.392 3.577 30 20 CHED C[C@@H](CCC1CC1)NC(=O)C[C@H](CC#N)c1ccccc1 356777181 KJKLIBOYCIBYLR-YOEHRIQHSA-N 284.403 3.769 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)CCC2CCCCC2)C1 532323611 FXUXHERIZIWMDV-XOYHFGRZSA-N 276.424 3.791 30 20 CHED C=CCN(CC=C)C(=O)NCCC(C)(C)c1ccccc1 619677495 JGLINLPIUSKFOI-UHFFFAOYSA-N 286.419 3.738 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(C#N)cc1)C1CC1 264236266 YYJANFAQGLZEJA-OLZOCXBDSA-N 270.376 3.597 30 20 CHED C[C@H](Cc1cccs1)NC1(c2cccc(C#N)c2)CC1 611476017 ZOYLKKYMXMEMOJ-CYBMUJFWSA-N 282.412 3.830 30 20 CHED CC(C)c1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 618578784 YSXWLMXBPPOING-WMLDXEAASA-N 256.393 3.982 30 20 CHED CCCCOC1CCN(c2cccc(Cl)c2C#N)CC1 450365123 PHGBINGSVYOURJ-UHFFFAOYSA-N 292.810 3.997 30 20 CHED Cc1ccncc1[C@@H](C)Nc1ncc(Cl)c(C)c1C#N 612090043 ITZVITXSVJHNOO-LLVKDONJSA-N 286.766 3.792 30 20 CHED C[C@H]1CC/C(=C\C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 267830584 CSXXLDQSXGIHAS-QBAKGOIMSA-N 288.778 3.767 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)nc3ccccc23)C1 617789628 OWUXJXRIZDPVKT-HNNXBMFYSA-N 294.398 3.972 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1OCCC 454259220 ATFAUDMODBVHCK-UHFFFAOYSA-N 262.353 3.563 30 20 CHED C=CCC[C@H](C)N[C@H]1CCOc2c(F)ccc(F)c21 361188506 SSNYCOPOVLUHRJ-GWCFXTLKSA-N 267.319 3.733 30 20 CHED CC(C)(CC#N)CNC(=O)CCC(C)(C)c1ccccc1 457987117 AGSOUCBKBYPVPK-UHFFFAOYSA-N 286.419 3.800 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(F)cc1C 454521064 JDNCUFNAYNSLST-BBRMVZONSA-N 290.382 3.945 30 20 CHED CC[C@@H]1C[C@@]1(NCC1(C#N)CCC1)c1cccc(C)c1 450922627 OHJUSCFTIRTNCY-QAPCUYQASA-N 268.404 3.904 30 20 CHED Cc1cccc2c1CC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 613254417 KFRIPLUTMCSDAQ-CPUCHLNUSA-N 254.377 3.654 30 20 CHED Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(C#N)c2)cc1 540848278 OLWQWNPUASVOAQ-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C=CCCN(C)C(=O)c1cc2cc(C)c(C)cc2o1 276401384 OHXBCTLMRMMYCB-UHFFFAOYSA-N 257.333 3.698 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2ccc(F)cc2F)no1 273879092 UQOXQYDCRWTWRS-SNVBAGLBSA-N 294.301 3.592 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1cccc(OC)c1 455528741 XGDFKZWBHSTFMG-INIZCTEOSA-N 288.391 3.508 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(CC)cc2)no1)OCC 545538306 NYEOAPMMMFQIPJ-HNNXBMFYSA-N 286.375 3.823 30 20 CHED CCC1(CNC(=O)Nc2ccc(CC#N)cc2Cl)CC1 455695623 BJDYHVOZDJSYFN-UHFFFAOYSA-N 291.782 3.718 30 20 CHED C=CC(C)(C)CNC(=O)c1cc2cc(C)ccc2o1 452773796 BWYHMZWJQQGHSB-UHFFFAOYSA-N 257.333 3.683 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)NCC(C)(C)CC#N 459254853 GDEVZZLHCGLDLP-AWEZNQCLSA-N 279.428 3.536 30 20 CHED CCCN(CC1CC1)C(=O)Nc1cc(C)cc(C#N)c1 456009511 TVJQCCYWNCTOFU-UHFFFAOYSA-N 271.364 3.521 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)CC(C)(C)C#N 458254329 PCCIJNMVCJHIAF-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED C[C@H](c1ccc(C(=O)NCC(C)(C)C#N)cc1)C(F)(F)F 456010539 RAFGDHCXMRWRJU-SNVBAGLBSA-N 298.308 3.632 30 20 CHED CC(C)CC1(CNC(=O)c2ccc(C#N)s2)CCC1 362578925 WVVINGDEWFQXKK-UHFFFAOYSA-N 276.405 3.566 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1ccc2c(c1)CCC2 459332698 YWRVJYIBBPDQCN-KGLIPLIRSA-N 256.393 3.718 30 20 CHED C[C@H](C#N)CN[C@@H]1CCC[C@@H]1CCc1ccccc1 545948487 UQRYILSSBDCUEU-DJIMGWMZSA-N 256.393 3.537 30 20 CHED C=CCC1(CNC(=O)c2cccc(CC#N)c2)CCCC1 456488878 SLCRGWZZRVLAPC-UHFFFAOYSA-N 282.387 3.619 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)[C@H](C#N)CCc1ccccc1 457311907 ZEFOGUAFJZBROD-HHXXYDBFSA-N 298.430 3.844 30 20 CHED C=CCN(C(=O)NCCCCC(C)(C)C)C1CC1 540111961 KGZKQBZDIHLGEV-UHFFFAOYSA-N 252.402 3.563 30 20 CHED CC(C)(C)OC(=O)CCCCSc1ccc(C#N)cn1 272916748 HTQVBICPWPPARF-UHFFFAOYSA-N 292.404 3.557 30 20 CHED C[C@H](CCC#N)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 276285191 GNNSCROVHXTLFG-NFAWXSAZSA-N 260.356 3.696 30 20 CHED C=CCN(C(=O)c1ccccc1Cl)C(C)(C)C 622942480 MXHUTAOSSBKCEJ-UHFFFAOYSA-N 251.757 3.767 30 20 CHED C=CCC[C@H](C)NCCc1nc(-c2ccncc2)cs1 273477884 LIIOZHVNRYFGQO-ZDUSSCGKSA-N 287.432 3.692 30 20 CHED C=C(CC)CSCC(=O)NCCC1=CCCCC1 540193280 NZBANGMFZZKVIQ-UHFFFAOYSA-N 267.438 3.693 30 20 CHED N#Cc1ncccc1NCCc1cc2ccccc2s1 549622121 LYQBIVFJJGNNBA-UHFFFAOYSA-N 279.368 3.823 30 20 CHED C[C@H](Nc1ncccc1C#N)c1nc(C(F)(F)F)cs1 278884316 WRYZPWWDGHUDQQ-ZETCQYMHSA-N 298.293 3.602 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2c[nH]c3cccc(C)c23)no1 289223761 UOHMYRIZXRZZCZ-KRWDZBQOSA-N 294.358 3.641 30 20 CHED CC#CCCCC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 466441576 LRSVCTFLFZQFEO-AWEZNQCLSA-N 289.341 3.807 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)Cc1nc2ccccc2[nH]1 281076492 WBCRZIJXTRLQAS-UHFFFAOYSA-N 299.418 3.556 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2ccc(Cl)cc21 467954400 OWAAFPKCUCVDAC-OAHLLOKOSA-N 263.768 3.831 30 20 CHED C=C(CN[C@@H](c1cncc(F)c1)C1CC1)c1ccccc1 281417086 ZQGLSGQEWPOCRM-GOSISDBHSA-N 282.362 3.975 30 20 CHED C=CCCO[C@H](C)C(=O)NCC[C@@H](C)CC(C)(C)C 468104152 WGHOIIBPKNFKKO-ZIAGYGMSSA-N 269.429 3.546 30 20 CHED CC(C)c1ccc2occ(C(=O)N3CCC(C#N)CC3)c2c1 286952668 MPDBHTPUWNORCS-UHFFFAOYSA-N 296.370 3.932 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(C)CC=CCC1 460057020 HONWJKZPUTUXEY-LJQANCHMSA-N 294.398 3.819 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)CN(C)c2ccccc21 467517351 FXDVBBVAQVYKLC-OAHLLOKOSA-N 298.430 3.874 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 283463076 JDRFTPINKHQOEX-CABCVRRESA-N 291.341 3.693 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@@H]1CCC[C@@H]1C 469493974 MVQPNHLAPCPKPR-GJZGRUSLSA-N 287.403 3.694 30 20 CHED C[C@H]1COCC[C@@H]1CNc1ccc(C(F)(F)F)cc1C#N 557719216 RNDTWUIGWVVPHJ-WDEREUQCSA-N 298.308 3.662 30 20 CHED C=CCCCC(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 286883518 IQDDTDBNSYGFNU-AWEZNQCLSA-N 291.391 3.627 30 20 CHED N#CCCCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 292006429 BCIOMTSRGINRDL-PBHICJAKSA-N 290.382 3.577 30 20 CHED N#Cc1ccc2c(c1)[C@H](Nc1ccc(F)c(F)c1)CC2 558504776 LLGGNCMUTXJHAT-MRXNPFEDSA-N 270.282 3.936 30 20 CHED C#CCOc1cccc(Oc2c(F)cccc2[N+](=O)[O-])c1 804441562 OLISSQRGRRVSKC-UHFFFAOYSA-N 287.246 3.538 30 20 CHED C#C[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1F 804423085 GEDBUECHMMRPIO-GFCCVEGCSA-N 293.750 3.645 30 20 CHED C[C@H]1CC[C@@H](C=NNc2nc(C(F)(F)F)cs2)C1 800814052 OVHVKUBPYKPQDY-JGVFFNPUSA-N 277.315 3.996 30 20 CHED C[C@H](NC1(C2CC2)CC1)c1ccc(C#N)cc1Cl 562425728 NTSCGHNRTUQHKX-JTQLQIEISA-N 260.768 3.805 30 20 CHED N#CCCCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 291835928 FFAYZMCAFNFXSL-UHFFFAOYSA-N 297.185 3.572 30 20 CHED C=CCOCCN[C@H](c1ccc(F)cc1)C1CCCC1 569476744 QTCOYJNHKNFKPO-KRWDZBQOSA-N 277.383 3.849 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)cc1 291464670 PMZPERVBCLPZTC-MRXNPFEDSA-N 288.416 3.609 30 20 CHED C#CCN(CCCc1cnccc1C)C1CCCCC1 809556152 JGAFJSYVNHMJKQ-UHFFFAOYSA-N 270.420 3.591 30 20 CHED CN(Cc1ccc(Cl)s1)[C@@H]1CC[C@H](C#N)C1 293661983 YUMQKUTXBXPNRJ-VHSXEESVSA-N 254.786 3.526 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@@H]1c1cccc(F)c1 644971143 MHTCKJNHIZYUOP-OAHLLOKOSA-N 290.382 3.884 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 295107294 HEEAKUTYWVTQFX-DZGCQCFKSA-N 275.367 3.790 30 20 CHED C[C@H](SCc1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C 479711258 YMLNCSDDXDLTFH-JTQLQIEISA-N 295.379 3.661 30 20 CHED CCCOc1ccc(/C=C\c2ccncc2C#N)cc1 561307657 ZBLHISHTQBQRQR-UTCJRWHESA-N 264.328 3.912 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 807990573 IWILABYDPCJDRU-UHFFFAOYSA-N 273.292 3.641 30 20 CHED N#C[C@@]1(C(=O)Nc2cccc3[nH]ccc23)CC12CCCC2 294399759 CUXOVDPYMOMDSU-QGZVFWFLSA-N 279.343 3.580 30 20 CHED N#CCCC1CCN(Cc2coc(-c3ccccc3)n2)CC1 563068774 PZYLCFLETDEVFF-UHFFFAOYSA-N 295.386 3.857 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 476709684 QRRHSPVVXGUZLV-BFJAYTPKSA-N 297.402 3.813 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCOc2ccccc21 805221559 PUZKMIHFHJAFPE-INIZCTEOSA-N 287.403 3.805 30 20 CHED CC[C@](C)(C#N)C(=O)OCCc1c(F)cccc1Cl 803782870 VADIZNDAHVTUNI-CQSZACIVSA-N 283.730 3.505 30 20 CHED CCCNN=C(CCC(C)(C)C)c1cscn1 807962521 AUYFLOVDDQXVSW-UHFFFAOYSA-N 253.415 3.673 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CCCC(F)(F)C2)c1 800721397 MKQMKQYKZOIJBD-IYPWXLATSA-N 298.289 3.545 30 20 CHED Cc1nc(C)c(CN(CC(C)C)c2ccc(C#N)cc2)o1 809957782 YNXXGMQAUBTCOZ-UHFFFAOYSA-N 283.375 3.826 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1c(Cl)cccc1OC 640719246 FATPSFNSRQAXSJ-LLVKDONJSA-N 294.782 3.921 30 20 CHED N#CCCCc1nc(C2(c3ccccc3F)CCCC2)no1 291033435 FIHVDHKNYWTKTP-UHFFFAOYSA-N 299.349 3.915 30 20 CHED C=C(C)CNC(=S)N1CC[C@H](C(C)(C)C)C[C@@H]1C 806605303 NGNNGWFXKAGJPB-STQMWFEESA-N 268.470 3.584 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(NCc3ccon3)c2c1 801672630 UNXXAKDQJFMVPY-UHFFFAOYSA-N 298.733 3.668 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1 642012324 BHFCNGIXMUHFPG-DZGCQCFKSA-N 273.376 3.560 30 20 CHED C=CCC1(C(=O)N[C@@H]2COc3ccc(C)cc32)CCCC1 560170847 IBXRPTJZVGWDQU-OAHLLOKOSA-N 285.387 3.681 30 20 CHED C=CCCCC[C@@H](C)N[C@@H]1CCN(C(=O)C2CCCC2)C1 648476302 QXFXXLFPLNIZCE-NVXWUHKLSA-N 292.467 3.502 30 20 CHED COc1ccc(F)cc1C=NNc1cccc2cnccc12 812225378 FAKLPUADPNBZDD-UHFFFAOYSA-N 295.317 3.829 30 20 CHED CC(C)CCC=Nn1c(S)nnc1-c1ccccc1F 814741867 SARHDWKWVNPVRW-UHFFFAOYSA-N 292.383 3.643 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NC1(C#N)CCC1 489729996 RVWJDCDHDZTJRS-ZIAGYGMSSA-N 282.387 3.538 30 20 CHED Clc1c[nH]ccc1=NN=C1CCCC12CCCC2 814870307 WQFKDDZKXDMODH-UHFFFAOYSA-N 263.772 3.669 30 20 CHED C=C[C@H]1CCCCN1C(=O)CC(C)(C)c1ccccc1 488878914 QVBSHHNXRDFYLK-INIZCTEOSA-N 271.404 3.921 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1c1ccc(C#N)c(C)n1 488090339 AELUSUFGBVAKTI-IUODEOHRSA-N 257.381 3.667 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Cl)c(OC)c(OC)c1 650543487 VMYXFAWMXXVJSM-UHFFFAOYSA-N 283.755 3.508 30 20 CHED Cc1cc(N2CCC[C@H]2c2ccc(F)cc2)cc(C#N)n1 576453607 XFVLEHNPWGMWNP-KRWDZBQOSA-N 281.334 3.742 30 20 CHED CC1(C)CCCN(C(=O)c2cccc(C3CC3)c2)[C@@H]1C#N 572538761 FPMQTKLIRSTOCF-MRXNPFEDSA-N 282.387 3.718 30 20 CHED CC#CCCNC(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 483427215 QULKOLQMNLNEST-WMZOPIPTSA-N 298.430 3.891 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(F)ccc1Cl 814510435 NUUDICOELANCRT-UHFFFAOYSA-N 269.703 3.576 30 20 CHED COCCCNN=Cc1sc2c(Cl)cccc2c1C 814920677 SSSUFFNHRSKBPN-UHFFFAOYSA-N 296.823 3.823 30 20 CHED CC[C@@H](OC(=O)c1ncc(C#N)cc1C)c1ccc(C)cc1 815925844 SNUITEXRBFAINT-MRXNPFEDSA-N 294.354 3.878 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(C(C)C)nc1C 815314518 WAVUEKGKCQJRIA-UHFFFAOYSA-N 283.318 3.768 30 20 CHED CN(Cc1ccccc1)CC(C)(C)C=NOC/C=C/Cl 811671867 LRENOIMTYLRJMZ-XKBVOMFJSA-N 294.826 3.900 30 20 CHED C=CCCN[C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 658113446 HGKDSQRRDRZCTN-JKSUJKDBSA-N 279.811 3.596 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C(F)F)nc1 658003735 PBXSXORYTRDSPE-ZLDLUXBVSA-N 296.361 3.651 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](CC)CCC)c1 726482758 JSJNOGLISXSASV-CYBMUJFWSA-N 260.406 3.533 30 20 CHED C=CCC(C)(C)CN[C@@H]1Cc2[nH]c3ccccc3c2C1 576689633 WCXRAUOYCUUGIU-ZDUSSCGKSA-N 268.404 3.827 30 20 CHED CC(=NOC1CCC1)c1sc2nc(C)nc(C)c2c1C 812235536 JWHYIDQUEUPXCA-UHFFFAOYSA-N 289.404 3.910 30 20 CHED Cc1cccc2c1CC[C@@H]2/N=C\c1cc([N+](=O)[O-])ccc1O 729641026 ANXYUHIDUDIMLY-PMFHANACSA-N 296.326 3.715 30 20 CHED C=CCN(C(=O)c1cc(-c2ccc(F)cc2)no1)C(C)C 826070715 CVMSISWYTUSWGF-UHFFFAOYSA-N 288.322 3.517 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)OCCCCC#N 820069528 ZHYPPRZLVLODEG-OAHLLOKOSA-N 273.376 3.801 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@H](C)c1ccccc1F 726770236 OUXVBHXATITMDZ-AWEZNQCLSA-N 290.382 3.718 30 20 CHED Cc1ccc(NN=C2CC[C@@H]3CCCC[C@H]3C2)nn1 729935858 SXQBYKGKJIEREI-STQMWFEESA-N 258.369 3.543 30 20 CHED Fc1cc(C=NNCc2ccccc2Cl)cc(F)c1F 727969314 CUADDELPHWQXSK-UHFFFAOYSA-N 298.695 3.881 30 20 CHED CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cn1 576885478 UEDHRLAZCUSECY-SFHVURJKSA-N 297.377 3.921 30 20 CHED C=CCCC(=O)OCCOc1ccc2ccccc2c1 726649819 DVORVCGDJJKDEF-UHFFFAOYSA-N 270.328 3.728 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@@H]2C2CCC2)c1 728176283 MMGREZHFKBKCNB-MRXNPFEDSA-N 284.428 3.629 30 20 CHED CC(C)(C(=O)O)c1ccc(Nc2cccc(F)c2C#N)cc1 826126755 HOIHDGKGBYJVGP-UHFFFAOYSA-N 298.317 3.803 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2COCC)cc1 574300325 ACRBZACQOKRZFU-SJLPKXTDSA-N 289.419 3.546 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1F 729148920 FXCVRLHCZICCON-SOFGYWHQSA-N 285.274 3.938 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C)cc2C)c1 728480816 ONWLTCXJRWFYSL-UHFFFAOYSA-N 277.367 3.951 30 20 CHED C=CCC(C)(C)CNC(=O)[C@]1(C)CCc2ccccc2C1 490069720 XWWMHSWAFSNLLD-LJQANCHMSA-N 285.431 3.900 30 20 CHED Cc1cccc([C@H](C)NC(=O)CCCCCC#N)c1C 588158168 JGZUPUVYJQKBPI-HNNXBMFYSA-N 272.392 3.955 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@](CC)(C(=O)O)c1ccccc1 901900736 ZHUDGBRMBWMSNL-DAYGRLMNSA-N 289.419 3.609 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccccc1F)c1ccccc1 498767063 LNMDJFFDQQIIBD-AWEZNQCLSA-N 299.345 3.812 30 20 CHED CC1(C)CN(C(=O)c2ccc(F)c(C#N)c2)c2ccccc21 585745995 VEJJOZZJRUDYET-UHFFFAOYSA-N 294.329 3.635 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2cccc(O)c2)CCCC1 664092747 BBELKWRCANRUKV-ZDUSSCGKSA-N 288.391 3.641 30 20 CHED C=CCN(C(=O)NC[C@H]1CCCCC(F)(F)C1)C1CC1 490661161 YIEKJZZZBVCMSU-LBPRGKRZSA-N 286.366 3.562 30 20 CHED CC#CCCNC(=O)C1(c2cccc(Cl)c2)CCCC1 499039753 VLJGQVIMPGQUMS-UHFFFAOYSA-N 289.806 3.681 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(C2CCCCC2)CC1 735114195 VWJFBXMDXYSWRJ-AWEZNQCLSA-N 278.440 3.953 30 20 CHED CC[C@@H](N[C@H](C)c1cnn(CC)c1)c1cccc(C#N)c1 903011409 DZSSNXVROXFRBT-CXAGYDPISA-N 282.391 3.577 30 20 CHED N#CCOc1ccccc1C(=O)OCCC1=CCCCC1 835722268 IYCMCXZVGXZZQB-UHFFFAOYSA-N 285.343 3.636 30 20 CHED CC(=NNCc1ccc(C)cc1)c1sc(C)nc1C 835008830 OYPJZJQNROZVPM-UHFFFAOYSA-N 273.405 3.582 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 660107233 OHFJCLGMKHOGBI-MNOVXSKESA-N 277.330 3.778 30 20 CHED C=C[C@@H]1CCCCN1Cc1cncc(Br)c1C 668078794 UXLCRBVGFZRFAG-CYBMUJFWSA-N 295.224 3.693 30 20 CHED Cc1ccc(F)c(/C=C2\Cc3ccccc3C2=O)c1 734981330 QOZIIZVYTXSHSS-GXDHUFHOSA-N 252.288 3.957 30 20 CHED C=CC[C@H](NC(=O)N[C@@H]1CCC[C@H](C)C1)c1ccncc1 734661880 PXOHJCNVNNETMC-IMJJTQAJSA-N 287.407 3.577 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cccc(Cc2ccccc2)c1 580820447 MXFGEIPKXJZPQI-LJQANCHMSA-N 292.382 3.699 30 20 CHED C#CC(C)(C)NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 737854564 MXBOZKIYBNCSIT-CQSZACIVSA-N 271.404 3.832 30 20 CHED Cc1cccc(CCC(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 839043920 LIIAYGVWLQFFGZ-HZPDHXFCSA-N 271.360 3.553 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NOCc1ccccc1 901166196 YJMRAKXGKGWUFL-UHFFFAOYSA-N 271.364 3.632 30 20 CHED C=CC[C@@H](NC(=O)C1=CC[C@@H](C)CC1)c1ccncc1 836699301 MJYSQBANULYBIP-CZUORRHYSA-N 270.376 3.561 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)C1(C#N)CCCC1 583169500 XIFUCRXNRBVIFN-ZIAGYGMSSA-N 276.424 3.744 30 20 CHED C=CCCCOC(=O)Cc1cccc(OC(C)C)c1 735531915 HVUROSOESVXACQ-UHFFFAOYSA-N 262.349 3.526 30 20 CHED N#CCCCCCC(=O)N[C@H]1C[C@H](c2ccccc2)C1 588166071 REXVJAKHOLYQCF-WKILWMFISA-N 270.376 3.523 30 20 CHED C=CCCC(=O)N1CCc2ccccc2[C@H]1C(C)C 675680524 YASUFGPKFDIWLL-QGZVFWFLSA-N 257.377 3.735 30 20 CHED Cc1ccc(C)c(NN=Cc2cnn(C(C)(C)C)c2)c1 915950745 RXILADOFKDXMEK-UHFFFAOYSA-N 270.380 3.701 30 20 CHED CC1(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CCCC1 731768428 IVYXKOPWOODBBE-CQSZACIVSA-N 278.355 3.991 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@@H]2CCCC2(F)F)cc1 834886633 UTSOMXBBDXKOIG-HIFRSBDPSA-N 293.357 3.785 30 20 CHED Cc1ccc2[nH]cc(C=Nn3cnc4ccccc43)c2c1 735612911 RCZZJDCZBLQNOA-UHFFFAOYSA-N 274.327 3.708 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CCCc2ccccc21 916134486 KYDBZOSLUXHEMO-PTNGSMBKSA-N 264.324 3.995 30 20 CHED CC[C@@H](C)[C@H](C=NNc1nc(C(F)(F)F)cs1)OC 834963643 GAYVRKSJVSMIIH-SFYZADRCSA-N 295.330 3.621 30 20 CHED FC(F)CON=C1CCC(OC2CCCC2)CC1 834969438 RZLDZLCHCZFICI-UHFFFAOYSA-N 261.312 3.526 30 20 CHED CCC(C#N)(CC)C(=O)NCCc1c(C)cc(C)cc1C 599100167 GYPIGZGDJWQSNE-UHFFFAOYSA-N 286.419 3.601 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(SC)ccc1Cl 597924624 JDOMKMLDHZILEZ-ZDUSSCGKSA-N 282.796 3.940 30 20 CHED CC(C)(C#N)C[C@@H](O)CSc1ccc(Cl)c(F)c1 598703511 AMPJTLCZCRSTDU-SECBINFHSA-N 287.787 3.872 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1cccc(CO)c1 592985585 OELZGVOQXRPVTO-UHFFFAOYSA-N 281.355 3.699 30 20 CHED CCCCNN=C(C)c1cccc(Br)c1 915968895 AYPOBINCGIYSGZ-UHFFFAOYSA-N 269.186 3.563 30 20 CHED CCN(Cc1cc(Cl)cc2cccnc12)[C@H](C)C#N 595813769 OTZFRPDORAZXOW-LLVKDONJSA-N 273.767 3.622 30 20 CHED CON=Cc1ccc(C(=O)Oc2cc(C)cc(C)c2)cc1 912713085 JKKRKCPJSIXEBR-UHFFFAOYSA-N 283.327 3.503 30 20 CHED C=CCC(C)(C)c1noc(CC[C@@H](N)c2ccccc2)n1 843235825 VRPWFPLIKUIWRJ-CQSZACIVSA-N 285.391 3.556 30 20 CHED CCOc1ccc(C(C)=NNc2ncccc2Cl)cc1 917549470 OJKKOTGDUDIARM-UHFFFAOYSA-N 289.766 3.970 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1SCCc2ccccc21 749845742 UBOSAFARIRXPEJ-SZLZGVTBSA-N 283.396 3.842 30 20 CHED CCCCCCCN1C(=O)[C@H](C)N(c2ccccc2)C1=O 915665107 HOSKEOZLILDMCG-AWEZNQCLSA-N 288.391 3.814 30 20 CHED CCOc1cccc(N=Cc2ccc(OCC)cc2O)c1 917557208 ASOJLHNXEPYILL-UHFFFAOYSA-N 285.343 3.940 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC(C)(C)C1 594008954 RKIXYIZXJXKWTM-RHSMWYFYSA-N 298.430 3.822 30 20 CHED CC(=O)Nc1cccc([C@H](C)/N=C\c2ccccc2O)c1 914556644 DKOFKYGCLKUQOI-SJWFJVLYSA-N 282.343 3.531 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1c(F)cccc1F 743461510 DBPNTKIQHLAXGG-GHMZBOCLSA-N 284.302 3.550 30 20 CHED C=CCCSCCNC(=O)C[C@H](C)c1ccccc1 597975081 XCOITXZDWWPKNI-AWEZNQCLSA-N 277.433 3.606 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2cc(C)on2)c1 844551550 MIBCHVMIKRWDND-BQYQJAHWSA-N 271.316 3.668 30 20 CHED CC(C)COc1cccc(CN2CCC[C@H](CC#N)C2)c1 597175866 FJPBCQDZPGBSOP-MRXNPFEDSA-N 286.419 3.847 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cc(C)c(C)cc2C)o1 749453084 RBOVKNRBMCWJFT-ALCCZGGFSA-N 298.338 3.888 30 20 CHED Clc1cccc(C=NNc2ncnc3sccc23)c1 916367895 AVGRBONBLIHPDE-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](C)C#N 598882382 LUGKUJDHXMMOOX-OAHLLOKOSA-N 292.382 3.579 30 20 CHED CC1(C)CCC(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 841224435 PICFUMZBTJCJCG-UHFFFAOYSA-N 297.811 3.823 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC2(c3ccccc3F)CCC2)C1 593642906 RAYDWOHNOOBHFW-HUUCEWRRSA-N 286.394 3.919 30 20 CHED CCCCN(C(=O)[C@H](C#N)CC)[C@@H]1CCC[C@@H](C)C1 593732840 SDCJUELNQACWJC-QLFBSQMISA-N 264.413 3.744 30 20 CHED CCOC(=O)c1cccc(SCC(C)(C)CC#N)c1 594900644 UWBSEIZKOPWACI-UHFFFAOYSA-N 277.389 3.895 30 20 CHED C=CCC[C@H](C)OC(=O)c1cnccc1C(F)(F)F 847672371 QMHYKCIQIQKKQM-VIFPVBQESA-N 273.254 3.612 30 20 CHED N#Cc1ccc(CCN2CC[C@H](c3ccccc3)C2)cc1 595297430 TXIUALJMAAFVQM-IBGZPJMESA-N 276.383 3.590 30 20 CHED COCCON=Cc1ccc(F)c(-c2cccs2)c1 748789405 QLXLWTBMFIWUJL-UHFFFAOYSA-N 279.336 3.551 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)cc2C)s1 748935199 MIHAZVZJWIWEDK-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 597993763 CHDNQCKUVQWPSN-OAHLLOKOSA-N 274.408 3.665 30 20 CHED C=CCC(F)(F)C(=O)NCC1(c2ccccc2F)CCC1 844651915 YIIJLYGSQZLRBW-UHFFFAOYSA-N 297.320 3.575 30 20 CHED CCCCCCCCCNC(=O)c1csc2cncn12 746117186 UDJJUYIANYRTNR-UHFFFAOYSA-N 293.436 3.876 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1c1cc(C#N)cnn1 596117897 KQEGWBNHSIKNPI-DLBZAZTESA-N 292.386 3.511 30 20 CHED Cc1cccc(C)c1CN(CC(C)C)C(=O)C(C)(C)C#N 592672255 MYCKSPBIBIPBJB-UHFFFAOYSA-N 286.419 3.838 30 20 CHED CC[C@@](C)(C#N)c1nc(C2(c3ccc(F)cc3)CCC2)no1 598682593 FLSZARUSYOYALU-INIZCTEOSA-N 299.349 3.870 30 20 CHED C[C@H](COC(=O)[C@H](C)Cc1ccc(C#N)cc1)CC(F)F 847733029 WIMLOIGFZKYYFK-NWDGAFQWSA-N 295.329 3.571 30 20 CHED C=CCN(C(=O)[C@H]1CCCc2ccc(OC)cc21)C(C)C 846811946 QJZJCERSYOKOTO-INIZCTEOSA-N 287.403 3.538 30 20 CHED C[C@@H](/N=C\c1ccc(O)c(O)c1O)c1cccc(C2CC2)c1 840705888 GCSKMZYBZVTPEH-XEQXHXIFSA-N 297.354 3.861 30 20 CHED C=CCCOCCN[C@H](C)c1cc(-c2ccccc2)no1 925629110 LPHDWTUJMHYKBS-CQSZACIVSA-N 286.375 3.585 30 20 CHED N#Cc1ccc(NN=C/C=C/c2ccc(F)cc2F)cc1 758105740 MIZXHFFXUCHGHI-XJGNLEOYSA-N 283.281 3.948 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2/N=C/c1ccccc1O 920178148 OONCWBXYWBVLMI-GYKGCMEESA-N 251.329 3.807 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cccc(Br)c1 755820552 IVQWDNLAWDJOSC-ZDUSSCGKSA-N 298.180 3.716 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1cc(CC)cnc1O 851143134 IZOGXGPIPJRIRK-DZGCQCFKSA-N 289.375 3.641 30 20 CHED Cc1nc(C#N)c(NN=Cc2cc3ccccc3s2)o1 758373582 YQQHZYCULNZVKW-UHFFFAOYSA-N 282.328 3.515 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1cccc(Cl)c1 921220141 WHOWBTGUMGAVQE-VXGBXAGGSA-N 282.767 3.925 30 20 CHED C=CCOCCSC[C@@H]1CCCCC1(F)F 853775380 UTUQITOIPMXTAP-NSHDSACASA-N 250.354 3.748 30 20 CHED N#Cc1ccc(N[C@@H]2CC3(CCC3)Oc3ccccc32)cn1 757789306 PACVSAGFHLQRBG-MRXNPFEDSA-N 291.354 3.812 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)Cc2c(F)cccc21 921264108 OSHVHCQEPKZVJN-HJWRWDBZSA-N 274.241 3.926 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccccc1OC(F)F 851211672 BHDWDEZOEOZMOQ-JTQLQIEISA-N 297.301 3.773 30 20 CHED CC(C)=CCCC(C)=Nn1cc(Br)cn1 752743142 OLEGWPGFJKOIFD-UHFFFAOYSA-N 270.174 3.616 30 20 CHED CC(=O)Nc1ccc(C=NNc2ccc(F)cc2C)cc1 750939141 VRHPTYHOUXAKMC-UHFFFAOYSA-N 285.322 3.539 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc3c(c2)COC3)C1 852412007 YERJGQAEIHLVFK-AWEZNQCLSA-N 257.377 3.505 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 755872491 CDHSCEKSEXGLJX-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CC(CCc1ccccc1F)=NNc1cc(C)ccn1 755901364 UPIMTFYRLIHVBT-UHFFFAOYSA-N 271.339 3.950 30 20 CHED CCc1cccc2cc(C=NOC3CCOCC3)oc12 853334953 WRIGKDGASCWJDL-UHFFFAOYSA-N 273.332 3.525 30 20 CHED Cc1cccc(C)c1C=NNc1ccccc1[N+](=O)[O-] 755466049 SXWBVEBTSZEQIK-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CCCn1nccc1/C=C/C(=O)c1cc(C)ccc1C 853002363 LSNNRDGVOJBJSA-BQYQJAHWSA-N 268.360 3.806 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCCc2ccccc21 851213559 RHHQFPJOYWNMPY-CZUORRHYSA-N 285.387 3.978 30 20 CHED C#C[C@](C)(CC)NCc1cc(-c2ccc(C)cc2)no1 852098291 JAKUXUIICOANLH-QGZVFWFLSA-N 268.360 3.542 30 20 CHED COc1cccc(C(=O)/C=C\c2nc(Cl)cs2)c1 759072646 KPOYJGMKVLCDSX-WAYWQWQTSA-N 279.748 3.701 30 20 CHED C=C(Cl)CN1CCC(Oc2ccccc2Cl)CC1 754351706 KYVFXFAFVUASBL-UHFFFAOYSA-N 286.202 3.936 30 20 CHED C=CCc1cc(OC)cc(CN(C)CCC(C)C)c1O 754723414 RZALEYUDTXZHSD-UHFFFAOYSA-N 277.408 3.607 30 20 CHED C=C[C@H](CC)CC(=O)NC1(c2ccccc2F)CC1 933171310 VSJDKCBHSYXBOM-GFCCVEGCSA-N 261.340 3.533 30 20 CHED C#CCCc1noc(-c2ccc(OC3CCCC3)cc2)n1 762013841 JQVDJKQOPPLPNT-UHFFFAOYSA-N 282.343 3.624 30 20 CHED FC(F)(F)CON=C1CCCOc2c(Cl)cccc21 764846745 OUCZAUOVQQSAED-UHFFFAOYSA-N 293.672 3.796 30 20 CHED N#C[C@H](Sc1nnc(-c2ccccc2)s1)C1CC1 865355589 LHMGYLZCHOAUTM-NSHDSACASA-N 273.386 3.599 30 20 CHED CCC(C#N)(CC)C(=O)OCc1sccc1Cl 860199231 ADXFQOZSDIDSJQ-UHFFFAOYSA-N 271.769 3.775 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc([N+](=O)[O-])cc1 764433903 IALRNOMZCQPTMQ-SREVYHEPSA-N 289.312 3.561 30 20 CHED Clc1oc2ccccc2c1C=NO[C@H]1CCCCO1 761274485 VVBALEDBHFSXEE-ZDUSSCGKSA-N 279.723 3.963 30 20 CHED Oc1ccccc1/C=N/[C@@H]1COc2ccc(Cl)cc21 761787322 QJDXYTUHWKDTQD-QOSBVPTNSA-N 273.719 3.598 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ncccc2Cl)C1 768359308 CKWMSLDSTZBBPB-WDEREUQCSA-N 251.761 3.959 30 20 CHED C#CCCCCC(=O)N[C@H](CCc1ccccc1)C(F)F 862807969 OARNYTOLWRLGCY-OAHLLOKOSA-N 293.357 3.563 30 20 CHED CCCOc1ccc(NCCOc2cccc(C#N)c2)cc1 768394817 LWRCTAIQVLQNGO-UHFFFAOYSA-N 296.370 3.838 30 20 CHED CON=Cc1cn(-c2ccccc2)nc1-c1ccccc1C 767491286 SNWLNTVNINCVSH-UHFFFAOYSA-N 291.354 3.828 30 20 CHED CC(C)(C)c1ccc(CC(=O)OCC2(C#N)CCC2)cc1 768086490 NJJXUGMHMYCWCP-UHFFFAOYSA-N 285.387 3.764 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 878861226 SCBZICHLAMSCII-HOCLYGCPSA-N 271.404 3.993 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)/N=C/c1ccccc1O 775628936 BYPLWKUQQLLOBG-CUMICDFRSA-N 287.334 3.726 30 20 CHED C#CCCCCCC(=O)NC(C)(C)c1nc(C)c(C)s1 779954419 NVIIPAQVXFATTR-UHFFFAOYSA-N 292.448 3.695 30 20 CHED CC(C)CC(=NNc1ccc2[nH]ncc2c1)c1ccccn1 779817279 DUIRNIPFANWOFP-UHFFFAOYSA-N 293.374 3.820 30 20 CHED CCCC1CCN(c2nc(C#N)c(Cl)s2)CC1 1118592057 RNICKYWMNBPMGS-UHFFFAOYSA-N 269.801 3.685 30 20 CHED C=C(Cl)CN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 773004475 LKVDHXQCCHJICD-GFCCVEGCSA-N 291.700 3.915 30 20 CHED FC(F)(F)CCON=C1CCC2(CCOCC2)CC1 777455921 OSYSDEHDXDHFKH-UHFFFAOYSA-N 279.302 3.682 30 20 CHED N#CCc1ccccc1Cc1nc(-c2ccc(F)cc2)no1 776802566 QTGSTTABFYLYKN-UHFFFAOYSA-N 293.301 3.533 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H]1C[C@]1(C)C(C)C 773973893 VCTJPEMTBIRJQU-CXAGYDPISA-N 287.359 3.545 30 20 CHED CC(=NOC1CCOCC1)c1ccccc1C(F)(F)F 774443540 BCDMLXCQLFBTSG-UHFFFAOYSA-N 287.281 3.625 30 20 CHED Cc1cccc(Cl)c1COC(=O)c1sccc1C#N 1129248279 AOSAAQVKUJIIQT-UHFFFAOYSA-N 291.759 3.939 30 20 CHED Cc1ccc(F)c(CC(=O)O[C@H](C)c2ccc(C#N)cc2)c1 1126637744 NGAUWUHCJPXGOH-CYBMUJFWSA-N 297.329 3.853 30 20 CHED Fc1cc(NN=C2CC3(CCC3)C2)cc(F)c1F 772845741 SKGPAHHCZQLRJC-UHFFFAOYSA-N 254.255 3.836 30 20 CHED C=CCCCCNC(=O)/C=C/c1ccc(Cl)s1 770081736 ISUSYZLYPAFERU-VQHVLOKHSA-N 269.797 3.887 30 20 CHED Cc1ccc2c(c1)C(=NOCCC(F)(F)F)CC2 777459195 GUXTYOHMOIESSC-UHFFFAOYSA-N 257.255 3.614 30 20 CHED C#CCC1(C(=O)NCc2ccccc2Cl)CCCCC1 788144893 ZASDBSZTYXXCGS-UHFFFAOYSA-N 289.806 3.930 30 20 CHED Clc1cncnc1NN=C1C[C@H]2CCCc3cccc1c32 780279789 QOAOZUSXCRCYGD-LLVKDONJSA-N 298.777 3.770 30 20 CHED Clc1cncnc1NN=C(Cc1ccccc1)C1CC1 780282543 LHNYFBDOEJVWFD-UHFFFAOYSA-N 286.766 3.551 30 20 CHED C[C@H](c1cccs1)N(C)Cc1ccc(F)cc1C#N 103140764 ZNGWJENFOFKQIK-LLVKDONJSA-N 274.364 3.952 30 20 CHED CCc1ccc(CCC(=O)Nc2ccc(C#N)c(F)c2)cc1 1129459528 MALQIYKWPKUKHI-UHFFFAOYSA-N 296.345 3.831 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 1120593905 HPKIAHANLRIZAN-INIZCTEOSA-N 297.402 3.891 30 20 CHED COc1ccc2c(c1)CCCN2CC(C)(C)CCC#N 780767676 UTYLQYHNMUDTLO-UHFFFAOYSA-N 272.392 3.778 30 20 CHED N#Cc1ccc(COC(=O)c2ccccc2F)c(Cl)c1 784199513 MFQURMUHFBTSCL-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 891166005 XMAMLOIFSATUPL-CVEARBPZSA-N 282.387 3.517 30 20 CHED C=CCCN(C)Cc1cc(OCC)cc(CC=C)c1O 786102802 VUDNUDLMWHMLHP-UHFFFAOYSA-N 275.392 3.527 30 20 CHED c1ccc2c(c1)COCC2=NNc1cccc2cnccc12 782222480 ZMPZKBZRHULCAU-UHFFFAOYSA-N 289.338 3.581 30 20 CHED C#Cc1cncc(C(=O)Nc2ccccc2C(C)(C)C)c1 798243164 ZGCOEHIYALGEIJ-UHFFFAOYSA-N 278.355 3.613 30 20 CHED CC(C)(C#N)CCCCN1CCc2cc(F)ccc2C1 277673172 KBQHXLFFYCMAHU-UHFFFAOYSA-N 274.383 3.904 30 20 CHED C#CCCCCC(=O)Nc1ccc(C(F)(F)F)c(OC)c1 790578943 INENUBMWXJIIKQ-UHFFFAOYSA-N 299.292 3.846 30 20 CHED CCC(CC)CC(=O)N(CCC#N)C(C)(C)CC 189903743 RELVLDIAZYLRFP-UHFFFAOYSA-N 252.402 3.744 30 20 CHED CCCC[C@H](CC)CNC(=O)Nc1sccc1C#N 1207287540 ULOSEZABCZERJL-NSHDSACASA-N 279.409 3.958 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)c(C#N)c2)c(F)c1 192543707 FNZDDRFJNKIMEX-UHFFFAOYSA-N 285.709 3.835 30 20 CHED N#Cc1ccc(NN=C/C=C/c2ccc(F)c(F)c2)cc1 794897003 OIDRKIUMQKNFGX-XJGNLEOYSA-N 283.281 3.948 30 20 CHED COc1cc(/C=C/C(=O)c2cc(C)c(C)o2)ccc1O 799896538 ITERLXNOAUBBKW-FNORWQNLSA-N 272.300 3.507 30 20 CHED CCCCCCCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C 799381389 DGHAOUOBZGNXQC-LSDHHAIUSA-N 284.444 3.556 30 20 CHED Clc1cccc(CNN=C2CCn3cccc32)c1Cl 790180455 FZFIGRQAVCJZJD-UHFFFAOYSA-N 294.185 3.693 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc(F)c(Cl)c1 794552464 JCWZOFJMFUZHRD-UHFFFAOYSA-N 282.668 3.745 30 20 CHED CC[C@@H](C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797569164 NUHHRKNSHDBXAI-NXEZZACHSA-N 264.394 3.663 30 20 CHED Cc1cccnc1NN=Cc1cc2ccccc2o1 790190311 JBTAZTSGVBEORX-UHFFFAOYSA-N 251.289 3.582 30 20 CHED COCCCON=C(C)c1oc2ccccc2c1C 795042390 RYPBKKKGDLNOLL-UHFFFAOYSA-N 261.321 3.518 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNc1ccc(Cl)nn1 797398379 RTWRORZMAWBJMM-NXEZZACHSA-N 266.776 3.744 30 20 CHED CC[C@H](C)CON=C1CCC[C@@H]1CNC(=O)OC(C)(C)C 793146669 UFDFEZITJFSDAT-QWHCGFSZSA-N 298.427 3.730 30 20 CHED C#CCNc1ccc(-c2csc(C(F)(F)F)n2)cc1 795049097 LXFDAOXFPTWPSF-UHFFFAOYSA-N 282.290 3.874 30 20 CHED FCC[C@H]1CCCC1=NNc1nc2cc(F)c(F)cc2[nH]1 794889176 VHPQCWNBVDDDBN-MRVPVSSYSA-N 296.296 3.769 30 20 CHED CC[C@H](C#N)C(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 1156316466 YCXSHHCSSZQIOF-HZSPNIEDSA-N 264.413 3.505 30 20 CHED C#CCN(CC1CC1)C(=O)C1CCC(c2ccccc2)CC1 1319667459 XMOVHUGHEOJWAU-UHFFFAOYSA-N 295.426 3.832 30 20 CHED C#CCCCCCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 1319927770 LEHDLUNYSWCGFG-LBPRGKRZSA-N 290.432 3.790 30 20 CHED Cc1cc(=O)oc2cc(NCc3ccc(C#N)cc3)ccc12 1317795576 OJMMBGKHGNZEKH-UHFFFAOYSA-N 290.322 3.585 30 20 CHED CCOCCC1(CNc2cccc(CC#N)n2)CCCC1 1325709793 GSBBSJBKZWCPBP-UHFFFAOYSA-N 287.407 3.547 30 20 CHED Cc1ccc(-c2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 1975549242 ICJHVLHLUGLGQW-UHFFFAOYSA-N 294.203 3.961 30 20 CHED CC[C@H](NCc1ccc(C#N)c(C)c1)C1CCCC1 1620936083 PYQUNFIZHCTENE-KRWDZBQOSA-N 256.393 3.925 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@H](C)n1ccnc1 1320179632 SJMJQFLZNYINFW-HUUCEWRRSA-N 279.428 3.557 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccc3occc3c2)nn1 1323517835 LZYPXQCPZFWWBO-UHFFFAOYSA-N 294.358 3.966 30 20 CHED C#CCN(CC)C(=O)c1ccc(-c2cccs2)s1 1320017055 AYNFBNVDWSOHRT-UHFFFAOYSA-N 275.398 3.572 30 20 CHED Cc1cc(CN2CC[C@H](C)C(C)(C)C2)ccc1C#N 1652136192 DZXYAPONCXBDAE-AWEZNQCLSA-N 256.393 3.735 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1ccc(O)c(F)c1)C2=O 1253640622 DJYKZZPUSUNCMN-NTUHNPAUSA-N 298.313 3.807 30 20 CHED CC(C)c1cccc(CN2CCC[C@@](C)(C#N)C2)c1 1653856010 VUOKGOCZSAZEON-KRWDZBQOSA-N 256.393 3.936 30 20 CHED CC(C)c1ocnc1CSCC1(CC#N)CC1 1333737378 RMSBHDURVMNRCE-UHFFFAOYSA-N 250.367 3.725 30 20 CHED CCC(C)(C)c1ccc(CNc2cc(C#N)nc(C)n2)cc1 1185889325 UZDCVLWINZNZAP-UHFFFAOYSA-N 294.402 3.956 30 20 CHED N#Cc1ccc(N2CCC[C@H]2C2CCOCC2)c(Cl)c1 1333738023 WMDLLMPIKLORCB-HNNXBMFYSA-N 290.794 3.607 30 20 CHED C=CCN(CCc1ccco1)C(=O)CC(C1CC1)C1CC1 1254319301 GHNXNCHVORRKKL-UHFFFAOYSA-N 287.403 3.663 30 20 CHED CC1(C#N)CCN(c2c(F)cccc2C(F)(F)F)CC1 1333700284 XKLWOWHUDRBZJO-UHFFFAOYSA-N 286.272 3.975 30 20 CHED Cc1c(C#N)cccc1NCC1Cc2ccccc2C1 1180788837 ZWXVRHCNMPNLHO-UHFFFAOYSA-N 262.356 3.694 30 20 CHED C[C@@H]1Cc2cc(CNc3ccc(OCC#N)cc3)ccc2O1 1334315093 UNFVPUMNQSXURR-CYBMUJFWSA-N 294.354 3.524 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1c(F)cccc1F 1337762493 ZFTVDZLGECWUQY-NSHDSACASA-N 265.303 3.536 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(F)c(N)c1 1261372284 RELGTYYHANQHDU-UHFFFAOYSA-N 279.359 3.666 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 1337487457 CFHFFCJAFGFZNG-OAGGEKHMSA-N 291.435 3.585 30 20 CHED CC[C@H](CC(=O)N[C@H](C#N)C1CCCC1)c1ccccc1 1262108418 OWSSMNUGGGMBCF-RHSMWYFYSA-N 284.403 3.769 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1sccc1C#N 1341894769 NNUHGELHEUEQAD-PWSUYJOCSA-N 277.393 3.662 30 20 CHED CC[C@@H](CC(=O)OCC#Cc1ccccn1)c1ccccc1 1343682641 FIYRDWKUISEGLC-INIZCTEOSA-N 293.366 3.560 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]1CC(=O)O 104521253 ILALQFTZUNJSDQ-AWEZNQCLSA-N 283.412 3.593 30 20 CHED CCCc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)s1 1354296286 OIZYELFFTLXZPM-UHFFFAOYSA-N 298.411 3.844 30 20 CHED N#CC1(CC(=O)N[C@@H]2C[C@H]2C2CCCCC2)CCCCC1 1435332647 KWRJIUPFMYNWJZ-JKSUJKDBSA-N 288.435 3.936 30 20 CHED C=C(CC)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 1519019987 KCPXSFBGGVESEM-AWEZNQCLSA-N 289.375 3.539 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 1516844578 OYBVRLVCCZVHQU-FBUXBERBSA-N 289.762 3.679 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1F 1529374018 QPKILLCSPKAGLR-CYBMUJFWSA-N 296.345 3.839 30 20 CHED CCOc1ccc(NC(=O)c2ccccc2CC#N)c(C)c1 1464348769 OOCUSFJAOKFGII-UHFFFAOYSA-N 294.354 3.712 30 20 CHED Cc1cc(CNc2n[nH]c(C3CC3)c2C#N)ccc1Cl 1474173300 CWCDHTXYEKANOB-UHFFFAOYSA-N 286.766 3.733 30 20 CHED Cc1nc(C#N)cc(N[C@@H](CCC(C)C)C(C)(C)C)n1 1611987705 UWWFETCDNZAZNJ-AWEZNQCLSA-N 274.412 3.920 30 20 CHED CCCN(Cc1ccc(C)cc1)c1cccc(C#N)n1 1559134795 JKVZWBQKIVCNRP-UHFFFAOYSA-N 265.360 3.678 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)s1 1559151558 JFKGUARYUYUVLK-SSDOTTSWSA-N 281.743 3.980 30 20 CHED CSc1ccc(Cl)c(NCc2cccc(C#N)n2)c1 1560928787 COMPREYVKDDVFZ-UHFFFAOYSA-N 289.791 3.941 30 20 CHED CO[C@@H](COc1c(C)cc(Cl)cc1C#N)CC(C)C 1644018467 QVZGXJDNTMVKGF-CQSZACIVSA-N 281.783 3.960 30 20 CHED CCc1ccc(CNCc2cc(C#N)ccc2F)s1 230696054 WMNGCKGNMXKZMA-UHFFFAOYSA-N 274.364 3.611 30 20 CHED C=CCCCCCN(C)C[C@H]1CCCC[C@@H]1C(=O)O 1588799708 BGIYCJSWPKQXTL-CABCVRRESA-N 267.413 3.556 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C#N)cc1F 1659503313 AVPJCZQZNKGXKY-CYBMUJFWSA-N 293.345 3.762 30 20 CHED C[C@H]1CC[C@H](NCC(C)(C)CC#N)CN1Cc1ccccc1 1652638281 DAOHZRSMDDWZMQ-WMZOPIPTSA-N 299.462 3.569 30 20 CHED N#Cc1cc(N2CCCC[C@@H]2Cc2ccc(F)cc2)ccn1 1651577389 NXTWGRRAVFYUBW-QGZVFWFLSA-N 295.361 3.694 30 20 CHED Cc1cc(Cl)ccc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1596979443 YFWQFDCRHVMGEO-YPMHNXCESA-N 277.751 3.888 30 20 CHED C=CCCCN(C)c1c(C(=O)O)cnc2c(C)cc(C)cc12 1776207698 VMXQLADOLSISBF-UHFFFAOYSA-N 298.386 3.952 30 20 CHED COc1ccc(OC)c(/C=C2/Cc3ccccc3C2=O)c1 169546093 AQIGYOBITVDOJL-UVTDQMKNSA-N 280.323 3.526 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)cc1Cl 160430229 LQKSSUQVUBGJKD-DZGCQCFKSA-N 276.767 3.581 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccc(C#N)cc2)c1C 160686534 DSLHZSVWBOXSFE-MDZDMXLPSA-N 293.370 3.678 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc2cccc(OC)c2o1 164648732 PCJUKOJCYCMXIN-ZDUSSCGKSA-N 289.375 3.685 30 20 CHED N#Cc1cccnc1Oc1ccccc1NCC1CCC1 152711425 VGUDPCNPNLDCLK-UHFFFAOYSA-N 279.343 3.958 30 20 CHED COc1ccc([C@H]2CCCN2Cc2ccc(C#N)s2)cc1 155168159 NRWSSSVNLYBGEX-QGZVFWFLSA-N 298.411 3.965 30 20 CHED CC(C)(C#N)CCN1CCCc2cc(F)cc(F)c21 157649207 LBXOPMSKFXUVPW-UHFFFAOYSA-N 264.319 3.657 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(OC(C)C)nc1 156728501 OZGGPZBAJRJKHC-UHFFFAOYSA-N 290.407 3.687 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1coc2ccccc12 925416602 JSDKLTFRIOBRFH-LBPRGKRZSA-N 256.349 3.851 30 20 CHED CCc1ccccc1CN1CCCC(C)(C)[C@H]1C#N 1170014155 QIDBNHZAPBJRGD-MRXNPFEDSA-N 256.393 3.763 30 20 CHED CC(C)CSCCN[C@H](C)c1ccc(OCC#N)cc1 271847453 QSGYFDQDODKGRE-CQSZACIVSA-N 292.448 3.629 30 20 CHED CCCCCCCCC(=O)NC[C@H](O)c1ccsc1 155307639 TYWQUNLLPZKYTJ-AWEZNQCLSA-N 283.437 3.648 30 20 CHED N#CCCSCc1sccc1Br 413013704 ORMLZHBJDSCLEK-UHFFFAOYSA-N 262.197 3.657 30 20 CHED Cc1ccccc1CN(C)Cc1cc(F)ccc1C#N 157911939 FGCGUHRFIOFLMK-UHFFFAOYSA-N 268.335 3.638 30 20 CHED COc1ccccc1CNc1cc(Cl)ccc1C#N 36954250 LICNVTJEJGFVMW-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@H](N[C@@H]1CCC(C)(C)C1)c1ccc(OCC#N)cc1 164665332 MZBRYRUAWYTMEL-DZGCQCFKSA-N 272.392 3.818 30 20 CHED N#CCOc1cccc(NCc2ccc(Cl)c(F)c2)c1 43389435 IJVVRYQSKNIWCQ-UHFFFAOYSA-N 290.725 3.994 30 20 CHED CCC(CC)CN(CC)CCOc1ccccc1C#N 48570552 DWKNWZKPYRMREF-UHFFFAOYSA-N 274.408 3.695 30 20 CHED CN(CCCCC(C)(C)C#N)OCc1ccccc1 277773607 RJTWNHGDMWKABL-UHFFFAOYSA-N 260.381 3.770 30 20 CHED C=C(CC)CNC(=O)c1cc(C)sc1Br 456811469 JSKLRPJLRKTMPZ-UHFFFAOYSA-N 288.210 3.515 30 20 CHED C#Cc1cccc(NCc2cc(C)nc(Cl)c2)c1 401907240 IIHIOKJGVRPZFY-UHFFFAOYSA-N 256.736 3.637 30 20 CHED CC1(C)CCC[C@H]1N(CCC#N)Cc1ccccc1 426820490 ZEZMXJHUPRCWAS-MRXNPFEDSA-N 256.393 3.981 30 20 CHED C=CCOCCCN[C@H](C)c1ccc(SC)cc1 337223306 NYMUZVJSNGJMBX-CYBMUJFWSA-N 265.422 3.652 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1cccs1 343560465 YPDIVQKKHNGJDT-LBPRGKRZSA-N 256.374 3.513 30 20 CHED C=CCCSCCN[C@@H](C)c1nc2ccccc2n1C 595061251 ZIBYCCVAQMQUBG-ZDUSSCGKSA-N 289.448 3.533 30 20 CHED C[C@@H]1CSC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 382142640 QUZYEDBYYVLYBY-PRHODGIISA-N 286.322 3.740 30 20 CHED C#CCCCN[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 382339632 XWVXXHQYCBRFTB-BPQIPLTHSA-N 255.405 3.962 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1csc(Cl)c1 394253892 XTLSAGFJNYPXNK-UHFFFAOYSA-N 292.747 3.534 30 20 CHED N#CCCC1CCN(Cc2c(F)cccc2Cl)CC1 399496812 WMKKMGRNCVWQPG-UHFFFAOYSA-N 280.774 3.995 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 413390527 YFXCHWJPBXEOAI-TXEJJXNPSA-N 284.281 3.556 30 20 CHED N#Cc1ccc(F)cc1COc1cc(F)ccc1F 177640633 XEAFKVDLQYUUAA-UHFFFAOYSA-N 263.218 3.555 30 20 CHED N#Cc1cccc(OCCN2CCC[C@H]2c2ccsc2)c1 51853147 JVDOWUMDGCPOAY-KRWDZBQOSA-N 298.411 3.836 30 20 CHED CC(C)CCN(CCC#N)C(=O)CC1CCCCC1 103440618 ZZFZENMRTXLXFN-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CS[C@H]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 227360499 ZFKLORJOGCMQQY-RYUDHWBXSA-N 264.369 3.783 30 20 CHED C=CCOCCCC(=O)Oc1ccc(Cl)cc1C 173138840 LLHGSODEQIABGA-UHFFFAOYSA-N 268.740 3.537 30 20 CHED CCN(CCC#N)Cn1ccc(=S)c2ccccc21 109315194 IOGXWGKSPVGDHW-UHFFFAOYSA-N 271.389 3.564 30 20 CHED O=C(/C=C\c1csnn1)c1ccc(Cl)cc1Cl 104300748 ZTHSSHBBQIZRKM-RQOWECAXSA-N 285.155 3.741 30 20 CHED CCN(CCOc1cccc(C#N)c1)c1ccccc1F 50011879 DZTNWJUZPYYSEJ-UHFFFAOYSA-N 284.334 3.603 30 20 CHED COc1ccc(CN(CCCC#N)[C@H](C)C2CC2)cc1 53097895 UOYYHVNHQRNYNZ-CQSZACIVSA-N 272.392 3.599 30 20 CHED C=CCN1CCc2sccc2[C@H]1c1cccs1 52917317 OIWYERNQGCDDNT-AWEZNQCLSA-N 261.415 3.943 30 20 CHED N#CC1(NC(=O)C[C@H]2CCCc3ccccc32)CCCCC1 170980118 MCJPIAQDCLWHEP-MRXNPFEDSA-N 296.414 3.839 30 20 CHED C=CCCCN1CCC(Nc2ccc(F)cc2)CC1 117877192 VBVZBQSCYPINKN-UHFFFAOYSA-N 262.372 3.668 30 20 CHED CC(C)(C)C[C@@H](NCC#N)c1ccc(Cl)cc1 179706685 IWWOHGWQCWLDAM-CYBMUJFWSA-N 250.773 3.930 30 20 CHED CN(C(=O)C[C@@H]1CCc2ccccc21)c1cccc(C#N)c1 115211975 VEUVVBVAHLGUKO-INIZCTEOSA-N 290.366 3.641 30 20 CHED Cc1ccc(SC2CCCC2)c(C(=O)N[C@@H](C)C#N)c1 179820823 ORFVHNMGGWDRRA-LBPRGKRZSA-N 288.416 3.672 30 20 CHED N#Cc1cccnc1NCCCSc1ccc(F)cc1 67949254 HNHCREVVEXTUSS-UHFFFAOYSA-N 287.363 3.687 30 20 CHED C=CCN(CC(=O)Nc1ccccc1)CC1CCCCC1 303488727 VMGOFNSHVJEGTD-UHFFFAOYSA-N 286.419 3.693 30 20 CHED CCCCCCCCCCN1CCC(C(=O)O)CC1 110441960 YGKVNCIVHQJJHY-UHFFFAOYSA-N 269.429 3.924 30 20 CHED COc1ccc(CSc2cc(C#N)ccn2)cc1Cl 179030520 RBZIRQXGZDGHNZ-UHFFFAOYSA-N 290.775 3.908 30 20 CHED Cc1nnc(NCc2cccc3ccccc23)c(C#N)c1C 63736171 AQTNHRSZJNKLMI-UHFFFAOYSA-N 288.354 3.730 30 20 CHED Cc1ccc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 22528574 AWSOOXSXGBKODU-XJKSGUPXSA-N 290.432 3.530 30 20 CHED C=CC1CCN(C(=O)Nc2cc(C)ccc2F)CC1 111707469 BTKRJVXGGPMXSU-UHFFFAOYSA-N 262.328 3.564 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CC(C)(C)c2ccccc2)n1 67785523 HBEKOCHXMDESMN-AWEZNQCLSA-N 298.411 3.996 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 174805884 RRMALHFYNJCQGC-NSHDSACASA-N 295.360 3.585 30 20 CHED Cc1cc(C(=O)Nc2ccccc2C#N)nc2ccccc12 171294393 VADOONLDQYOHMT-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCN(Cc1cn2ccsc2n1)Cc1cccs1 64344797 DPKTZTXUVYCXMT-UHFFFAOYSA-N 289.429 3.646 30 20 CHED CC(C)(C)c1csc(CNc2c(C#N)cccc2C#N)n1 302910655 ZCMRJPVFDXZZGD-UHFFFAOYSA-N 296.399 3.796 30 20 CHED CSc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)o1 171960368 ZTUWQBIOLFHRIQ-SECBINFHSA-N 298.323 3.633 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)s1 27123244 OGJFPKWPMVOZKI-SNAWJCMRSA-N 278.354 3.712 30 20 CHED C[C@H]1CCCC[C@H]1N(C)Cc1ccc(F)c(C#N)c1 229748237 MGJGAOMNACSAIJ-BLLLJJGKSA-N 260.356 3.708 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC(F)(F)C2)c1 409645695 BMSXFAQQQWXSPM-LLVKDONJSA-N 295.289 3.704 30 20 CHED CCN(Cc1ccc(C#N)s1)Cc1c(F)cccc1F 129904406 YZXFMHDGVWWZHY-UHFFFAOYSA-N 292.354 3.920 30 20 CHED CC#CCCCC(=O)Nc1ccc(OCC)cc1C 185232654 TVWIBYYFEJQJTP-UHFFFAOYSA-N 259.349 3.526 30 20 CHED N#Cc1ccc(OC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 121049630 SRAWFJMSHVCLJM-NWDGAFQWSA-N 297.276 3.832 30 20 CHED C=CCC[C@@H](NC(=O)NOCC(C)C)c1ccccc1 123238878 RURPURRXLDJZAA-OAHLLOKOSA-N 276.380 3.581 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H](C)C1CC1)c1ccc(F)c(F)c1 186052342 XJKHPJWGPAELJT-MEBBXXQBSA-N 279.330 3.744 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1cccc(F)c1C 187442781 KLCISVAXKUSXBV-UHFFFAOYSA-N 298.317 3.790 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)cc2C)n1 186259052 ZPWFSYCHVHERNK-IBGZPJMESA-N 291.398 3.907 30 20 CHED CC#CCCCC(=O)NC1(Cc2cccc(F)c2)CCC1 187550463 CMFIBVRDQXPELI-UHFFFAOYSA-N 287.378 3.601 30 20 CHED C=CCCCC(=O)Nc1nc2cccc(Cl)c2n1C 186574131 AJHFYQDPVULMGT-UHFFFAOYSA-N 277.755 3.522 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(Cl)cc1 129342897 IUKZAJJZPZGOMI-NSHDSACASA-N 255.814 3.910 30 20 CHED Cc1ccc(C#N)c(N2CC[C@@H](Cc3ccccc3)[C@H]2C)n1 500262774 PBUSDDPMDGHMRM-WBVHZDCISA-N 291.398 3.719 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)N(CCC#N)CCC(C)C 413369182 YLKKKMUGMFALJM-MRXNPFEDSA-N 294.439 3.513 30 20 CHED CC[C@@H](CNc1nc(C)ccc1C#N)Oc1ccccc1C 500266337 IXHWQQWMIPWZQE-INIZCTEOSA-N 295.386 3.840 30 20 CHED CN(C(=O)C1CCC(C)(C)CC1)c1ccc(C#N)cc1 439938923 SWCIETGHZNNHFF-UHFFFAOYSA-N 270.376 3.737 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cc(-c2ccccc2)on1 187931258 UXFGYWLPPYZPFG-QGZVFWFLSA-N 284.359 3.560 30 20 CHED CC[C@@H](CC#N)NCc1csc(-c2ccsc2)n1 184081639 DFOOENDTFOXQGE-NSHDSACASA-N 277.418 3.653 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)c1ccccc1 121217478 AZZDCSLIHPCXDZ-HNNXBMFYSA-N 295.357 3.591 30 20 CHED CC(C)(CC#N)CN[C@@H](c1ncc[nH]1)C1CCCCC1 414161046 DZWUOKIPQZCUTB-CQSZACIVSA-N 274.412 3.561 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2cccc(F)c2)c1 73012549 LXCYUEDYCRDGDP-KRWDZBQOSA-N 298.361 3.796 30 20 CHED C=CCSCc1ccc(C#N)cc1Br 183272121 BLCQOEOEOYKOPQ-UHFFFAOYSA-N 268.179 3.740 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cnc2cc(C)nn2c1C 182182359 VTOGMUPYCOKLDZ-GXTWGEPZSA-N 286.423 3.742 30 20 CHED Cc1ccoc1CN(C)c1cc(C(F)(F)F)cnc1C#N 413305850 SUQOHHFLVWRJOF-UHFFFAOYSA-N 295.264 3.510 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(OC)cc1 181416991 NAVFYDDUWQBFLG-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C#CCCCCC(=O)Nc1ccccc1OCC1CC1 120197581 JAHBOJDWPHMRFZ-UHFFFAOYSA-N 271.360 3.608 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCN(c2cccs2)CC1 121341824 VDJSJVWTYBTWQE-AWEZNQCLSA-N 297.427 3.503 30 20 CHED Cc1nnc(CSCCC2(C#N)CCCCC2)s1 419437421 FWACTVLLMXUXLH-UHFFFAOYSA-N 281.450 3.944 30 20 CHED Cc1ccc(C(=O)CSc2cc(C#N)ccn2)c(C)c1 71918480 AEGLEEZJTCLQOH-UHFFFAOYSA-N 282.368 3.545 30 20 CHED CC(C)(C)c1csc(NC(=O)c2ccco2)c1C#N 75296631 RUSXYGHCONTVEU-UHFFFAOYSA-N 274.345 3.763 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC(F)(F)F 369804848 YCWKFAHZWNMBHX-KBPBESRZSA-N 282.309 3.711 30 20 CHED C[C@@H](NCCCC#N)c1ccc(OC(F)(F)F)cc1 182520153 KKHFTSPFOLGMHO-SNVBAGLBSA-N 272.270 3.540 30 20 CHED C[C@@H](CC(=O)OCc1ccc(C#N)cc1)c1ccc(F)cc1 71996841 LGWJSCWRBQKIRH-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED N#Cc1ccc(CN2C[C@H]3CCC(=O)c4cccc2c43)s1 185629293 KSUVLRGTXCBLTR-LLVKDONJSA-N 294.379 3.700 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)N1CCCc2cc(C#N)ccc21 411003598 UGYAXUWTCVDRRU-ZFWWWQNUSA-N 282.387 3.664 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)C[C@@H](C)CC(C)C)cc1 70029211 PWCXPTGWGTUKAR-ZDUSSCGKSA-N 297.420 3.713 30 20 CHED COCc1ccccc1/C=C(\C)CNCC1(C#N)CCC1 418144712 UXTRLHUPHGHFMK-XNTDXEJSSA-N 284.403 3.520 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2F)CCCC1 412676916 WDWAACYLQRKCIR-CHWSQXEVSA-N 253.361 3.520 30 20 CHED Cc1cccnc1CSCCOc1cccc(C#N)c1 180368673 GOWXEJJQOGYOKM-UHFFFAOYSA-N 284.384 3.574 30 20 CHED Cn1cc(CNc2ccc(-c3nccs3)cc2)cc1C#N 189588040 LXVNOLYLVZREQF-UHFFFAOYSA-N 294.383 3.632 30 20 CHED C=CCCN(C)Cc1ccc(Br)s1 132367339 ICISWOYKUFGFOM-UHFFFAOYSA-N 260.200 3.519 30 20 CHED CO[C@@H](COc1ccccc1C#N)c1ccc(Cl)cc1 509104185 UXHAFOVDWIOJDW-INIZCTEOSA-N 287.746 3.978 30 20 CHED COc1nn(C)cc1N=C(O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329092484 JWWOZZCDBFXBQE-YNEHKIRRSA-N 291.395 3.623 30 20 CHED C=C(C)CCc1noc(CCc2ccccc2C)n1 508634230 FDNBENLQOZDZOL-UHFFFAOYSA-N 256.349 3.672 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC1CCN(C(C)C)CC1 414292311 BZEPOVVGLURQQM-IBGZPJMESA-N 286.463 3.636 30 20 CHED Cc1cc2cc(C(=O)N(CCC#N)CC3CC3)oc2cc1C 80027189 XKLFEBZGRULBMC-UHFFFAOYSA-N 296.370 3.816 30 20 CHED C[C@H]1OCC[C@@]1(C)NC(O)=Nc1cccc(C2CCC2)c1 329840631 WKMZBSHQSRISQH-SJKOYZFVSA-N 288.391 3.657 30 20 CHED C[C@@H]1C[C@@H](/C(O)=N/CCC2=CCCCCC2)CC(O)=N1 329852264 UPDSUFMGYZXFHI-TZMCWYRMSA-N 278.396 3.979 30 20 CHED C=C(Cl)CN1CCC[C@@H]1c1nc2ccccc2n1CC 84496606 DOXYHWFTCWHMHV-OAHLLOKOSA-N 289.810 3.946 30 20 CHED C[C@H](c1ccccc1Cl)N(C)Cc1cc(C#N)n(C)c1 191226899 HHSVKXWHYMCFTB-GFCCVEGCSA-N 287.794 3.743 30 20 CHED C[C@@H]1C[C@@H](C)[C@H](C(O)=Nc2ncc(-c3ccccc3)cn2)O1 328643729 AJSKFIUQCJJQSX-LALPHHSUSA-N 297.358 3.545 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 195137076 CGFKDNPZKZKIMV-AZUAARDMSA-N 298.474 3.843 30 20 CHED CCOC(=O)c1sc(/C=C/c2cccc(C#N)c2)nc1C 131182439 QBDFFNQRRZKWDC-BQYQJAHWSA-N 298.367 3.670 30 20 CHED Cc1cnc([C@@H](C)Nc2ccc(C#N)cc2F)s1 134930724 NWZFNMVOOMJHQU-SECBINFHSA-N 261.325 3.635 30 20 CHED C=C[C@@H](CC(=O)N[C@H](COCC)C(C)C)c1ccccc1 190996486 BHKXRONQSQQPCI-DOTOQJQBSA-N 289.419 3.524 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)c2cccc(F)c2F)CC1 133851234 FEMKKMKQRCGSKN-LLVKDONJSA-N 294.345 3.633 30 20 CHED CC1(C)CN(CC(O)=Nc2cccc(C#N)c2)[C@H]2CCC[C@H]21 328866112 NSLLIKWLMCXSCP-CVEARBPZSA-N 297.402 3.657 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)s1 134508854 BJNATIYOAWFTIP-DAFODLJHSA-N 274.732 3.564 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(F)c1 192204491 OIMMKCFYPLLHTN-JKSUJKDBSA-N 292.423 3.851 30 20 CHED Cc1ccc(C#N)c(NCc2ccc(Cl)s2)n1 83684348 GQVGGJBQBZRFHX-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CC[C@H](C)[C@@](C)(O)C/N=C(/O)c1occc1C(C)C 330476302 UVOAYTBQHOXFOU-NHYWBVRUSA-N 267.369 3.505 30 20 CHED CC(C)Oc1ccc(/C=C/c2ccc(C#N)cn2)cc1 193447996 NPMDWPAVJIWSOB-XVNBXDOJSA-N 264.328 3.911 30 20 CHED Cc1ccoc1CNc1ccc(C#N)cc1Br 229474786 RHOXNPGGUALDQW-UHFFFAOYSA-N 291.148 3.834 30 20 CHED C=CCC[C@H](O)CN(C(C)C)[C@@H](C)c1ccsc1 421005382 JEXUAYWMYFBEEX-ZFWWWQNUSA-N 267.438 3.847 30 20 CHED CCCCCCCCCC(=O)NN1CCCCC1 145624789 OFFAAOCGSLEBOI-UHFFFAOYSA-N 254.418 3.644 30 20 CHED Cc1ccccc1-c1csc(NC(=O)[C@]2(C#N)C[C@H]2C)n1 336248673 FGIFKQZIJCSMFG-BZNIZROVSA-N 297.383 3.607 30 20 CHED C[C@H]1SCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 235610980 RAHJDEQNKURANF-PELKAZGASA-N 252.770 3.518 30 20 CHED Cc1c(C#N)cccc1NC(=O)Cc1ccc(Cl)s1 193790257 JCEWKCXNOOGTHC-UHFFFAOYSA-N 290.775 3.763 30 20 CHED Cc1ccc(C(=O)N2CCC(CC#N)CC2)c(F)c1Cl 336405053 MWVLDMVFXBFMTG-UHFFFAOYSA-N 294.757 3.553 30 20 CHED Clc1ccc(C#CCN2CCc3sccc3C2)cc1 426376019 HWEYUZYFJQOILZ-UHFFFAOYSA-N 287.815 3.811 30 20 CHED CCCc1nc(/C(O)=N/[C@@H]2CCC[C@@H](SCC)C2)co1 330417622 OODINMRTGOZHBS-VXGBXAGGSA-N 296.436 3.996 30 20 CHED C=CCn1cc(CN[C@@H](CC(C)C)c2ccccc2C)nn1 424292396 GURNJLHNFDWHOV-SFHVURJKSA-N 298.434 3.650 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(CCC#N)Cc2ccccn2)C1 330569651 HZDIISZFYVPYLD-HOTGVXAUSA-N 299.418 3.540 30 20 CHED CN(CCC1CC1)Cc1cccc(OCCCC#N)c1 92067109 CKWBDIRILNZGJK-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C=C[C@H](CC(=O)Oc1ccc(C#N)cc1F)c1ccccc1 90125080 DJKTWUSNYVVVBH-CQSZACIVSA-N 295.313 3.963 30 20 CHED CCC[C@H]1CCCN(/C(O)=N/CCc2cccc(C#N)c2)C1 330938420 BXNCFULMUNFRHI-INIZCTEOSA-N 299.418 3.527 30 20 CHED C[C@@H](C#N)C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 334791364 QFMGFYPPPBVSCV-HOCLYGCPSA-N 282.387 3.680 30 20 CHED Cc1cccn2cc(COc3ccc(C#N)c(Cl)c3)nc12 515587331 FBYPSVAMNRZOSN-UHFFFAOYSA-N 297.745 3.747 30 20 CHED C[C@]1(CNCc2cc(C#N)cs2)C[C@@H]1c1ccccc1 339445950 ALMBMOQCWAETSI-IAGOWNOFSA-N 282.412 3.903 30 20 CHED Cc1cc(NC[C@@]2(C)C[C@@H]2c2ccccc2)cc(C#N)n1 338741821 OMFYHFVZDYVITM-QZTJIDSGSA-N 277.371 3.867 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc(OC)c1O 92505681 ZTVBZNRKILQBKZ-UHFFFAOYSA-N 297.398 3.632 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]([C@H](C)CC)C(F)(F)F 439404143 AGPHRCJFZDBEBT-OUAUKWLOSA-N 280.334 3.617 30 20 CHED CC(C)N(CC#Cc1ccccc1Cl)Cc1cccnc1 93225933 YOAAKPNUWIPVQQ-UHFFFAOYSA-N 298.817 3.997 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCSc2ccccc21 346009658 ACFYQIMYJPLAJY-OCCSQVGLSA-N 290.432 3.877 30 20 CHED CC1(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CCC1 349477930 UHFBOJHXHWHSFI-GFCCVEGCSA-N 296.292 3.576 30 20 CHED C=CCCCCCN(C)C(=O)COc1ccc(C)c(C)c1 523511421 GAAFVGHWDJZULF-UHFFFAOYSA-N 289.419 3.887 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2ccc(F)cc2C#N)C1 525124777 JRJSVFATDATWJU-CHWSQXEVSA-N 260.356 3.708 30 20 CHED Cc1noc(C)c1CN(CC(C)C)c1ccc(C#N)cc1 346625400 KMGWOMMYJRFRPH-UHFFFAOYSA-N 283.375 3.826 30 20 CHED CC[C@H](NCc1cccc(C#N)n1)c1ccc(Cl)cc1 602508342 BFWCMXDIMCRPJP-INIZCTEOSA-N 285.778 3.848 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(C(F)(F)F)c(F)c1 602364039 LWMHYCXXAIVWSH-UHFFFAOYSA-N 288.244 3.723 30 20 CHED C=CCOCCCN(C)[C@@H]1CCCc2nc(CC)sc21 348037731 RONJBNSDKKNFNI-CQSZACIVSA-N 294.464 3.607 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(-n2ccc(C)n2)cc1 347006428 BKVKYFYSCYVKQY-UHFFFAOYSA-N 298.390 3.611 30 20 CHED C=CCN(CC[C@@H]1CCOC1)Cc1ccc(Cl)s1 437584889 UQVPOCSODWOCCX-GFCCVEGCSA-N 285.840 3.816 30 20 CHED C[C@@H](C(=O)Nc1ccccc1CC#N)c1ccccc1F 344377994 BPPRJZQGMUISBJ-GFCCVEGCSA-N 282.318 3.634 30 20 CHED CC[C@@H](NCCc1cccc(C#N)c1)c1ccccc1OC 343600315 MGIBKOOZBMLKHT-GOSISDBHSA-N 294.398 3.850 30 20 CHED COCc1ccc(NCc2ccc(OC)c(C)c2)cc1C#N 527765279 ULYWBGRQEWEYGR-UHFFFAOYSA-N 296.370 3.634 30 20 CHED CC[C@@H](C#N)NC(=O)c1cc2c(Cl)cccc2s1 608816485 JGIGMWNYODRQNI-QMMMGPOBSA-N 278.764 3.587 30 20 CHED N#Cc1ccc(/C=C2/CCOc3ccccc3C2=O)cc1 255450313 AGAHHGZYRAKQMT-PTNGSMBKSA-N 275.307 3.607 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C(C)=O)s1 606816608 DWYGBHGCFBTYSP-UHFFFAOYSA-N 279.405 3.769 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(F)c3ccccc23)C1 601129081 MRFGFKYRJRDSEM-GXTWGEPZSA-N 268.335 3.761 30 20 CHED CC[C@H](CC#N)NC1CCC(c2ccc(O)cc2)CC1 358284566 WYMHJJNRBNXQJP-OGVSOVDVSA-N 272.392 3.700 30 20 CHED Cc1ccc([C@@H]2CCCCN2CC2(C#N)CC2)cc1 538348716 BTEKTELVDSERBN-INIZCTEOSA-N 254.377 3.826 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2CCc2ccccc2)n1 602440494 PPZGNFMZEUJPLC-LJQANCHMSA-N 291.398 3.550 30 20 CHED N#CC1(CSCc2cc(O)ccc2Cl)CCC1 600633145 PKOOBAHDPWPPMY-UHFFFAOYSA-N 267.781 3.973 30 20 CHED C=CCN(Cc1cnc(C2CCCC2)s1)C1CC1 350271998 WKSWDUUMWOUSMK-UHFFFAOYSA-N 262.422 3.951 30 20 CHED C=CCCC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 535810399 JHGSRHMHEGMHAL-CQSZACIVSA-N 271.404 3.924 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CC#N)cc1 536102855 GTOADNAPNWPBJI-RDJZCZTQSA-N 284.403 3.841 30 20 CHED Cc1ccc2[nH]c(CN(CCC#N)CC3CC3)cc2c1C 352004263 VKOYCNFIYWJTPL-UHFFFAOYSA-N 281.403 3.910 30 20 CHED C=CCCC[C@H](C)NC(=O)C(C)(C)c1cccc(F)c1 539433006 HZJRAFBQKMSFIP-ZDUSSCGKSA-N 277.383 3.964 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)[C@H](C)CCSC 351076600 UBTYYEOLWMXTSH-QWHCGFSZSA-N 296.484 3.555 30 20 CHED CC(C)(C)C1CCC(CNC(=O)CCCC#N)CC1 360377922 PHKPURKQRXCTRO-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C=CCC1(NC(=O)c2cc[nH]c2C(C)C)CCCC1 619111170 WNXWUMORRAVAJE-UHFFFAOYSA-N 260.381 3.757 30 20 CHED CC(C)(C#N)CN[C@H]1CCC[C@@H]1Cc1ccccc1 613540281 JQSGJXBTQIDYOQ-CVEARBPZSA-N 256.393 3.537 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1cccnc1C#N 357461000 RVRULFGMZJQQNX-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#CC[C@H](CC(=O)NCC1(C2CC2)CCC1)c1ccccc1 356518201 PAUAITBMTMTHEM-MRXNPFEDSA-N 296.414 3.770 30 20 CHED COc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1 537028064 DUQKOUHQQCRVBX-CQSZACIVSA-N 283.346 3.537 30 20 CHED CCSCC[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 353259380 SFOLNZFKOCBOHB-MLGOLLRUSA-N 274.433 3.667 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCc1c(F)cccc1F 537186807 HXBBXTNKMLTSJV-LBPRGKRZSA-N 296.361 3.551 30 20 CHED C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 610539398 NUDZXLKURURMPK-OLZOCXBDSA-N 295.342 3.878 30 20 CHED Cc1cc(O)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 356499816 UXWLTKASIAWPBJ-OAHLLOKOSA-N 294.354 3.727 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2ccncc12 530322660 XDBOHCHTUHTZTJ-INIZCTEOSA-N 254.333 3.776 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)C[C@@H](CC#N)c1ccccc1 356693142 IJMZVWVFKYZEAZ-USXIJHARSA-N 284.403 3.863 30 20 CHED C=CCNC(=O)c1cc(C)ccc1SC1CCCC1 539610313 VLMGQFVVGSAEHM-UHFFFAOYSA-N 275.417 3.946 30 20 CHED CC(C)CN(C(=O)[C@H](C)C1CCC1)c1ccc(C#N)cc1 457513686 MHFDASCIVKJLLQ-CQSZACIVSA-N 284.403 3.983 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 456832003 VYOPWYACQQXYCT-QWHCGFSZSA-N 297.320 3.891 30 20 CHED C[C@H](C#N)CN(C)[C@H](C)c1cccc(Br)c1 268910193 MVKHHMVQKUEBCU-GHMZBOCLSA-N 281.197 3.602 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1S[C@H]1CCCOC1 610585199 ILJJQZLGTASZHE-HNNXBMFYSA-N 296.395 3.891 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@H](C(C)(C)C)C2)c1 455953575 LDCGGBJGGZRONB-AWEZNQCLSA-N 285.391 3.767 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)O)c(C)cc1C 262889689 AFVQNWIAIBQLDI-GFCCVEGCSA-N 275.348 3.542 30 20 CHED N#CCCCCNc1cc2ccccc2c(Cl)n1 264216863 NWVYNDRDKNSYTI-UHFFFAOYSA-N 259.740 3.994 30 20 CHED C=CCC[C@@H](NC(=O)C1CCSCC1)c1ccccc1 269385964 GQWFOWSNYDBLKR-MRXNPFEDSA-N 289.444 3.953 30 20 CHED C=CC[C@@H](CC)NC(=O)c1sc(C(F)(F)F)nc1C 360534055 DIPWXAFRXVIYER-MRVPVSSYSA-N 292.326 3.555 30 20 CHED C=CCN(CCc1cscn1)CC1CCCCC1 450406088 PTLMSRPHEZTKIH-UHFFFAOYSA-N 264.438 3.754 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)CCCC2=O 452314625 SOPBBVDTFQNXKM-KRWDZBQOSA-N 271.360 3.746 30 20 CHED C=CCN(C(=O)[C@@H]1CC12CCSCC2)c1ccccc1 615003477 YVMLOMKNXCOVIK-HNNXBMFYSA-N 287.428 3.739 30 20 CHED N#CCCCCN1CCC[C@H]1/C=C\c1ccccc1 611554631 HMVKLCFUTHSJPQ-CPFIRTDXSA-N 254.377 3.858 30 20 CHED CC(C)CCN(C)C(=O)C[C@@H](CC#N)c1ccccc1 619427526 PKMXIWPMJICMFW-MRXNPFEDSA-N 272.392 3.578 30 20 CHED C[C@@H](NC(=O)c1ccc(Cl)cc1)c1cccc(C#N)c1 610360851 IIQXAHOBBKPMEA-LLVKDONJSA-N 284.746 3.703 30 20 CHED C=CC1CCN(c2nnc([C@H](C)CC)n2CC2CC2)CC1 612764506 XFNOHXVQLFLWBK-CYBMUJFWSA-N 288.439 3.604 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccnc1Cl 272175785 DZHVSVYHNXMGHV-LBPRGKRZSA-N 297.789 3.947 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1cc(F)ccc1F 610342828 PRXJWFKPIHKFRV-SNVBAGLBSA-N 290.288 3.826 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC[C@@H](CSc3ccccc3)C2)C1 278704227 TWXHJVIBQALDEJ-BZUAXINKSA-N 286.444 3.793 30 20 CHED C=CCCC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 365870467 MUDZSGQDUVIBOL-ZBFHGGJFSA-N 257.377 3.666 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCOc2c(F)cccc21 364627436 CLDVIUYLSWNEBX-CQSZACIVSA-N 276.355 3.569 30 20 CHED CC[C@@H](C(=O)N[C@H](C#N)CC(C)C)C1CCC(C)CC1 613113862 ANNXIVYJSMSIDV-SSHXOBKSSA-N 278.440 3.893 30 20 CHED C[C@@H](CCC#N)CNc1ccc(-c2cnco2)cc1 618887041 IVCQBBZQWRBUCZ-LBPRGKRZSA-N 255.321 3.693 30 20 CHED C=CCC1(NC(=O)Nc2c(C)noc2CC)CCCCC1 455018745 CDDZAUQXOBBRLZ-UHFFFAOYSA-N 291.395 3.946 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCC[C@H]1CCOC1 453364183 LROOFXWKDIZTOB-KXBFYZLASA-N 298.430 3.732 30 20 CHED C=CCC[C@H](NC[C@@H](CCC)OC)c1ccco1 453260450 YDUWDWYETNQZIW-KGLIPLIRSA-N 251.370 3.692 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 365834335 GTTKLZXDWQUUHC-MRXNPFEDSA-N 275.367 3.716 30 20 CHED CC(C)(C)c1cc(NC(=O)Cc2ccco2)c(C#N)s1 271581273 HVBFABSYDICHEO-UHFFFAOYSA-N 288.372 3.691 30 20 CHED CS[C@H](CNc1cccc(F)c1C#N)C(C)(C)C 541275932 FRRVYSVEUIWTPB-CYBMUJFWSA-N 266.385 3.887 30 20 CHED C=C(C)CCNC(=O)COc1ccccc1[C@H](C)CC 452718971 AUCJRQNFTBEQFM-CQSZACIVSA-N 275.392 3.661 30 20 CHED CCOC1CC(CCN[C@H](C)c2ccc(C#N)c(F)c2)C1 276711629 WTLDYDRWTBHJIG-VEAWUBTESA-N 290.382 3.553 30 20 CHED C=CCN(C(=O)Nc1cc(Cl)ccc1F)C1CC1 271427064 ZRAJFSQRXUOWGT-UHFFFAOYSA-N 268.719 3.661 30 20 CHED CCCCCCCC(=O)Nc1c(C(F)F)n[nH]c1C 271310179 VHOKHBPXYOUUHQ-UHFFFAOYSA-N 273.327 3.955 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)c1ccccc1F 620858203 AAAFVVQDLYKCGF-GFCCVEGCSA-N 263.356 3.790 30 20 CHED CSCc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 285567759 GKGNGEVDQUUALX-CVEARBPZSA-N 274.433 3.722 30 20 CHED CC(C)(C#N)CCCN1Cc2cccc(Cl)c2C1 287414425 OPVPNPDYGCGVTE-UHFFFAOYSA-N 262.784 3.986 30 20 CHED CCCC1(CNC(=O)Nc2cc(C#N)ccc2C)CCC1 467551634 BYIXGLXIPLGYAS-UHFFFAOYSA-N 285.391 3.959 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 370022876 VOUUUBFSAVLWOP-VNQPRFMTSA-N 287.407 3.529 30 20 CHED CC#CCCSc1nncn1-c1ccc(C)c(Cl)c1 462415574 HKDRYBDFOISKEN-UHFFFAOYSA-N 291.807 3.735 30 20 CHED CO[C@]1(C)CCCN(c2c(C#N)cnc3ccccc23)CC1 280264356 OEBJDBDZTDZUMJ-GOSISDBHSA-N 295.386 3.502 30 20 CHED Cc1nsc(N[C@H]2CCOC3(CCCCC3)C2)c1C#N 286192584 LSLVRHFLUIWTQN-LBPRGKRZSA-N 291.420 3.617 30 20 CHED C=C(C)CCNc1cc(NC(=O)C(C)C)ccc1C 288640147 CNQCUGNAJRDNEI-UHFFFAOYSA-N 260.381 3.968 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(C1CC1)C1(C#N)CCC1 551284784 NNBSLUQCDACTLF-HIFRSBDPSA-N 274.408 3.640 30 20 CHED CCCn1ccc2cc(NC(=O)[C@](C)(C#N)CC)ccc21 285935779 IZRSCFWWRJWSTB-KRWDZBQOSA-N 283.375 3.930 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2cnccc12 636448326 CWKOAHYLMHYYCP-UHFFFAOYSA-N 254.333 3.776 30 20 CHED C=C1CC(C)(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)C1 631626288 NKTAQMDPYVUSDA-NWDGAFQWSA-N 289.341 3.828 30 20 CHED C[C@H]1/C(=C\c2ccc3c(c2)ncn3C)C(=O)c2ccccc21 809159074 HSHITFHORBBHEN-GFQQVXNGSA-N 288.350 3.957 30 20 CHED C=C[C@H](C)NC(=O)CCCc1cccc(C(F)(F)F)c1 472342392 IJUALSLFEJCJNQ-NSHDSACASA-N 285.309 3.719 30 20 CHED C=CCCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 479627255 QAPDMBWWHVPWBT-HZPDHXFCSA-N 257.377 3.795 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 476427898 BKOUJQQBKKEWRO-IXDOHACOSA-N 290.451 3.953 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)Cc1cccs1 292740529 JSIBUKZLHXKKJX-GFCCVEGCSA-N 265.422 3.645 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(NC(=O)C2CC2)cc1 292952227 GVBCCLNEFZBTMY-UHFFFAOYSA-N 287.359 3.543 30 20 CHED C=CCCC1(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC1 566638929 AFUNZQUUSBKRBV-OAHLLOKOSA-N 285.387 3.875 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1c(F)cccc1F 292163355 FTSKJIGBMNYLKE-SNVBAGLBSA-N 267.319 3.744 30 20 CHED CSc1ccc(OC(=O)/C=C/c2ccccc2C#N)cc1 800223731 CJLQDDIOSFNBKV-IZZDOVSWSA-N 295.363 3.899 30 20 CHED Cc1cccc(CN(C)C(=O)c2cc(C#N)cs2)c1C 292472085 PUJSXUOREVKLHR-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C#CCCCC(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 293863209 GQTQVPFTDKDNEU-CYBMUJFWSA-N 295.304 3.873 30 20 CHED CSC(C)(C)CC=NNc1cccc([N+](=O)[O-])c1 814694285 CVVDOTQNCHKVPR-UHFFFAOYSA-N 267.354 3.524 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(C)c1C 488574587 DNAXDXDWFXCRMG-UHFFFAOYSA-N 254.333 3.543 30 20 CHED c1ccc2sc(NN=C3CC[C@H]3C3CC3)nc2c1 814684980 LAQPHWIUYOSWSB-JTQLQIEISA-N 257.362 3.884 30 20 CHED C#CCOc1ccccc1C=NNc1ccc(OCC)cc1 814983289 HIOBIOQNZMOSMI-UHFFFAOYSA-N 294.354 3.543 30 20 CHED C=CCCCCOC(=O)C1(c2cccnc2)CCCC1 811010054 HBCVNKKEUYJXMX-UHFFFAOYSA-N 273.376 3.793 30 20 CHED C#Cc1ccccc1CC(=O)OCc1sccc1Cl 810750360 GDDAHOSBWSQJQR-UHFFFAOYSA-N 290.771 3.669 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1cccc(C(=O)O)c1 814687234 CXASREBKADGQRR-CYBMUJFWSA-N 285.347 3.503 30 20 CHED N#CCCCc1nc(-c2cccc(C(F)F)c2)no1 812811560 XTFKNRSGECCFHW-UHFFFAOYSA-N 263.247 3.520 30 20 CHED CC(C)[C@H]1CC(=NNc2ncnc3ccsc23)CS1 814879959 LVKATVPRZJCLLS-LLVKDONJSA-N 292.433 3.621 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(F)c(Cl)cc1F 488883540 WSTYZMDAHIFYDW-VIFPVBQESA-N 285.721 3.799 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CC)c1ccc(F)cc1F 815665949 YJOUYBXBJUELRG-LBPRGKRZSA-N 289.272 3.744 30 20 CHED CC(=NOC1CCC1)c1ccc([N+](=O)[O-])cc1Cl 812236127 HFFBNSONFPEBRL-UHFFFAOYSA-N 268.700 3.541 30 20 CHED CCC(C=NNc1ccc(Cl)nn1)(CC)CC 814697743 AMMRKCHWSWYPPO-UHFFFAOYSA-N 254.765 3.744 30 20 CHED C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C(C)(C)C1 480546862 BDNUVUFLKFQDQX-NSHDSACASA-N 262.784 3.832 30 20 CHED C[C@H]1CCC(=NNC[C@@H]2CCSC2)c2ccccc21 811660910 BEZLDHJTVKDDSB-STQMWFEESA-N 274.433 3.631 30 20 CHED C=CCCCS(=O)(=O)N(CC)[C@@H](C)c1ccc(F)cc1 489094175 ASCFRIDXLZBOOK-ZDUSSCGKSA-N 299.411 3.505 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1COc2ccccc21 810765624 ACMXSXJATPXTRB-INIZCTEOSA-N 287.403 3.805 30 20 CHED C=CCn1cccc1C(=O)N1CCCCc2ccccc21 489997591 YQNHMILPMLJAOP-UHFFFAOYSA-N 280.371 3.657 30 20 CHED Cc1cc(Br)ccc1NN=Cc1ccc[nH]1 728433156 UWERSZBRHZQWEV-UHFFFAOYSA-N 278.153 3.532 30 20 CHED C=CCCCCCCCNC(=O)N(C)CC1CC1 811927078 HXKNONNPHGYTGS-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CCOCc1nc(-c2ccc(C(C)(C)C)cc2)no1 485878821 DRTUROQRKPIPAM-UHFFFAOYSA-N 272.348 3.737 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCCCCC(=O)C1)c1cccc(C#N)c1 811383808 MJWCHLYHNNLMCL-CZUORRHYSA-N 299.370 3.702 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CCCCCC#N)cc1 813427596 JMTCYNJCFQEGKU-UHFFFAOYSA-N 283.375 3.716 30 20 CHED Cc1sccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 577466640 DDFZWLMURGSZIS-HNNXBMFYSA-N 276.405 3.649 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)CCc1ccc(C#N)cc1 482697042 PKIQWNLFFUBUSH-VKJFTORMSA-N 298.430 3.679 30 20 CHED C=C(C)CCN[C@H](c1ccc(OC)cc1)c1ccccn1 652204400 QGKMTIVTDBNIFT-GOSISDBHSA-N 282.387 3.735 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc2cccc(F)c2o1 571942973 LKDBFNZNMMCZIV-GVXVVHGQSA-N 272.323 3.915 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1C(C)C 571449662 CVTBKTWQBBJKRH-ZIAGYGMSSA-N 276.428 3.602 30 20 CHED N#Cc1ccc(CN2CCCc3cc(Cl)ccc32)nc1 572896425 QRVAOFVZRJPENO-UHFFFAOYSA-N 283.762 3.559 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)CCCc1cccnc1 822372711 ASRYXKAHTIQXRY-LSDHHAIUSA-N 274.408 3.511 30 20 CHED COc1cccc(/C=C/C(=O)c2cccc(CN(C)C)c2)c1 821021691 KOVUFLAELKQZGK-ZHACJKMWSA-N 295.382 3.653 30 20 CHED CC(C)c1ccccc1NC(=S)NN=Cc1ccncc1 727061978 RHGSQIGUJBMTBP-UHFFFAOYSA-N 298.415 3.526 30 20 CHED COc1cccc(NN=Cc2c(C)[nH]c3ccccc23)c1 725853647 QKFWEVASXHMBNT-UHFFFAOYSA-N 279.343 3.931 30 20 CHED C=CCCNC(=O)N(Cc1ccco1)Cc1cccs1 661571047 BGFGDFVMUZDANG-UHFFFAOYSA-N 290.388 3.629 30 20 CHED CC(C)(C)Oc1ccc(NCc2ccc(C#N)o2)cc1C#N 824722956 ZHALKQFHCMAADT-UHFFFAOYSA-N 295.342 3.812 30 20 CHED CC1(C)CCC[C@H]1NCC#Cc1cccc(Cl)c1 492915187 XNNFYUKAAWJCKK-OAHLLOKOSA-N 261.796 3.860 30 20 CHED Cc1c(C(=O)/C=C\c2cc(F)cc(F)c2)cnn1C(C)C 588559895 VAFMPKBLSVRUBD-PLNGDYQASA-N 290.313 3.947 30 20 CHED C=CCN(C(=S)N[C@H](C)c1cccs1)C(C)C 726473777 POFOFCKOLYQPRF-LLVKDONJSA-N 268.451 3.580 30 20 CHED N#Cc1cc(N[C@@H](c2ccc(F)cc2)C2CCCC2)ncn1 583121436 UDEIPINWWWVBTM-QGZVFWFLSA-N 296.349 3.831 30 20 CHED Cc1ccc(C#N)nc1NCc1cc2ccccc2o1 589107651 HCCKJUQLHXNBBX-UHFFFAOYSA-N 263.300 3.620 30 20 CHED N#CC1(CSc2nc(O)cc(-c3ccccc3)n2)CCC1 901617630 XKMHLONZHXPCNE-UHFFFAOYSA-N 297.383 3.635 30 20 CHED C=CCOc1ccc(OCc2cc(C3CC3)no2)cc1 663985587 XVZJQXPSOFSFIW-UHFFFAOYSA-N 271.316 3.696 30 20 CHED N#CC1(CNC2c3ccccc3-c3ccccc32)CC1 903106927 YUDZUSBPDHBMOS-UHFFFAOYSA-N 260.340 3.650 30 20 CHED C=CCN(CC=C)C(=O)CCc1cc2ccccc2o1 497896577 SYCZVDWHHLMMPI-UHFFFAOYSA-N 269.344 3.566 30 20 CHED CC(CCc1ccccc1F)=NNc1cc(C)nc(C)n1 734093035 MZDGDUXQNNSSMA-UHFFFAOYSA-N 286.354 3.653 30 20 CHED COc1ccccc1C(=O)OCCCCC1(C#N)CCC1 908703129 OGEJZVMGZATWDG-UHFFFAOYSA-N 287.359 3.716 30 20 CHED C=C(C)CNC(=O)c1ccc(OCCCC)c(OCC)c1 490069108 AZVGQVQYCJXUCL-UHFFFAOYSA-N 291.391 3.570 30 20 CHED C=CCCOC(=O)[C@@H](C)CSc1ccccc1 732497247 JXAZBHDGUNDOTG-LBPRGKRZSA-N 250.363 3.534 30 20 CHED C[C@@H](Nc1cnn(C2CCC2)c1)c1cccc(C#N)c1 901668271 UWVQDRRANQKDSN-GFCCVEGCSA-N 266.348 3.653 30 20 CHED CC(C)c1cccc2c1OCC/C(=C/c1cncn1C)C2=O 901485416 IZYZEBOABVDSSP-LCYFTJDESA-N 296.370 3.592 30 20 CHED CSc1ccc(C)c(NC(=O)C#CC(C)(C)C)c1 837515763 ULFFWNAQXUROMC-UHFFFAOYSA-N 261.390 3.705 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1cccnc1 731978103 BUSJVXUZDJNIQH-HNNXBMFYSA-N 276.424 3.737 30 20 CHED Cc1cc(=O)n(CCCC(C)(C)C#N)c2c(C)cccc12 902526152 XBSNYGWRFPJGPB-UHFFFAOYSA-N 282.387 3.948 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C#CC(C)(C)C 837457666 JIWWLMZQLODIKB-PXAZEXFGSA-N 287.378 3.615 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H]4C[C@@H]43)c2c1 588066032 HKHVZDAJOIDMIZ-BBRMVZONSA-N 277.371 3.712 30 20 CHED CC[C@@H](NCc1c(C)nn(CC)c1C)c1ccc(C#N)cc1 582400016 IVAVWCZJMPYLKK-GOSISDBHSA-N 296.418 3.632 30 20 CHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1OC 903370817 KOQOWYBTKNXJED-LNSITVRQSA-N 276.355 3.567 30 20 CHED Fc1ccc(C#CCN2CC[C@@H]2c2cccc(F)c2)cc1 676627080 MNGYGSFOGIHIMI-GOSISDBHSA-N 283.321 3.763 30 20 CHED C[C@@H](NN=C1CCCc2cc(N)ccc21)c1ccccc1 834943497 BVWXGHXXWIRXNU-CYBMUJFWSA-N 279.387 3.660 30 20 CHED Oc1ccccc1/C=N\[C@@H]1C[C@H]1c1c(F)cccc1F 734752569 GXKWHDXWPQGBOO-HDDAFJEHSA-N 273.282 3.645 30 20 CHED COCC1CCC(=NN[C@H]2CCc3c(F)cccc32)CC1 835020931 LLYNGHIWKBRHDK-TYJDENFWSA-N 290.382 3.595 30 20 CHED C#CCOc1ccc(C(C)=NN[C@H](C)c2ccccc2)cc1 733203296 CEPQNNDFAGSPNC-OAHLLOKOSA-N 292.382 3.773 30 20 CHED Oc1ccccc1/C=N/CCc1cc2ccccc2o1 739427547 UQZZBQXPUCPITO-LDADJPATSA-N 265.312 3.800 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(-c2ccccc2)o1 588595135 QXJXQDPEMNOYNY-CLFYSBASSA-N 278.311 3.576 30 20 CHED COc1ccc(OC)c(C(C)=NOCc2ccccc2)c1 839419191 MGBUAWAMXRFNGM-UHFFFAOYSA-N 285.343 3.645 30 20 CHED N#CCC1(COC(=O)[C@@H]2CCC[C@H]2c2ccccc2)CC1 835188927 VZPWQKYRKHZUHI-JKSUJKDBSA-N 283.371 3.807 30 20 CHED C#CCOc1ccccc1CNCc1cc(C)cc(C)c1 734159652 TZZLYCGRLAICAH-UHFFFAOYSA-N 279.383 3.605 30 20 CHED CC(C)CO[C@H]1CC(=NNc2ncc(F)cc2F)C1(C)C 835022367 ICKUFTMCKRBDDG-ZDUSSCGKSA-N 297.349 3.599 30 20 CHED CC[C@@H](C#N)C(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 593546670 IVPSNEPPICLEOJ-ZDUSSCGKSA-N 286.419 3.885 30 20 CHED C=CCC(=NOCc1cccnc1)c1ccc(F)cc1 746587936 GSTVAJSBWSYMDD-UHFFFAOYSA-N 270.307 3.718 30 20 CHED Cc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)c(C)c1 915981344 QKJJTNWEEYHQAM-LICLKQGHSA-N 284.315 3.536 30 20 CHED CC(C)CCN(CCC#N)CCc1noc2ccccc12 593960290 SPRFOKFAGVYYIG-UHFFFAOYSA-N 285.391 3.632 30 20 CHED C=C1CCC(C(=O)Nc2nc(-c3ccncc3)cs2)CC1 913788434 DLCQUZFMJRBBID-UHFFFAOYSA-N 299.399 3.890 30 20 CHED Oc1ccccc1/C=N/C[C@H]1CCCc2ccccc21 912962679 YNQCABXORQYOIF-DQPIFXJKSA-N 265.356 3.931 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 595620011 JJWRKCYQWQUMOK-GFCCVEGCSA-N 264.319 3.750 30 20 CHED N#C[C@@]1(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)CC12CCCC2 598306034 PEFXVPONFGTERA-GPMSIDNRSA-N 294.398 3.523 30 20 CHED C=C1CCN(C(=O)[C@H](C)Sc2ccccc2Cl)CC1 591092361 FSTHZYYAPYBYLC-LBPRGKRZSA-N 295.835 3.999 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1cnn(C(C)C)c1)C2=O 848643515 ZRRYJLGJWIJARO-APSNUPSMSA-N 280.371 3.903 30 20 CHED COCc1ccc(C/N=C\c2cc(Cl)ccc2O)cc1 914773315 FCQIPWYWNRQFCJ-ZDLGFXPLSA-N 289.762 3.811 30 20 CHED C=C(Cl)CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918779116 ZXKJPRMSBYDZRE-HTQZYQBOSA-N 295.654 3.802 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)c(F)c1 748995117 WDIRFWHGSUXGBA-KXFIGUGUSA-N 291.709 3.779 30 20 CHED N#CC[C@H](CC(=O)N1CCC(C2CC2)CC1)c1ccccc1 590424694 DIDJIOFQESHVHG-GOSISDBHSA-N 296.414 3.723 30 20 CHED C=C(CNC[C@H]1CCOc2ccccc21)c1ccccc1 676899708 DZGLHNOSFCRBIH-QGZVFWFLSA-N 279.383 3.856 30 20 CHED C=C(CN[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 675782716 XGRGWEZCXSOEBG-CQSZACIVSA-N 281.355 3.779 30 20 CHED CCCCCCCC(=O)Nc1cc(C)cnc1OC 746532643 SQYRMWZQEJXUHX-UHFFFAOYSA-N 264.369 3.698 30 20 CHED CCC#C[C@@H](C)N[C@@H](CC)c1ccc(OC)c(OC)c1 671705932 NBTHXDZJNDNXOD-HIFRSBDPSA-N 275.392 3.546 30 20 CHED C=C[C@@H](SC1CCC(C(F)(F)F)CC1)C(=O)OC 590742338 FCJYDWWIFRDSKE-UDNWOFFPSA-N 282.327 3.568 30 20 CHED CCOC(=O)c1cc(NCC2(CC#N)CC2)ccc1Cl 594699805 COEXSUHGECFRAK-UHFFFAOYSA-N 292.766 3.622 30 20 CHED Cc1cc(C(=O)/C=C\c2c(C3CC3)cnn2C)cs1 849249163 DNBCQWVDPNLBIE-WAYWQWQTSA-N 272.373 3.564 30 20 CHED CCOc1cccc(/C=N/[C@@H]2CCC[C@H](C)C2)c1O 914702768 LLBXOIQJGIGHDY-XWDBZTJWSA-N 261.365 3.789 30 20 CHED N#CC1CCC(CNCc2cccc3c2CCC3)CC1 593626273 SHUPULWPCMUBML-UHFFFAOYSA-N 268.404 3.595 30 20 CHED C=CCN(C(=O)Nc1nc(C(F)(F)F)cs1)C(C)C 916706923 IGLXRMNFPZOCIW-UHFFFAOYSA-N 293.314 3.590 30 20 CHED Oc1cccc(/C=N\CCCc2cccc(Cl)c2)c1O 745626337 MXPMUFIDTJYGET-WQRHYEAKSA-N 289.762 3.803 30 20 CHED CCCCCCCC(=O)O[C@H](C)c1nc(C2CC2)no1 919223412 WOXDCKAAIWRTQH-LLVKDONJSA-N 280.368 3.912 30 20 CHED CC(=NN(C)[C@H](C)CO)c1ccc(C2CCCCC2)cc1 842543987 DOSPTOHZEXMJCK-CQSZACIVSA-N 288.435 3.771 30 20 CHED C=CCCC[C@H](C)OC(=O)c1coc(-c2cccnc2)n1 849850814 BDVKJCPWWKKJMB-LBPRGKRZSA-N 286.331 3.638 30 20 CHED C[C@@H]1CCCCCC1=NNc1ccc2c(=O)[nH]ccc2c1 844595179 XLAJXBDFWFMNHQ-GFCCVEGCSA-N 283.375 3.896 30 20 CHED CCCCCCCCCCN1C(=O)CN(C(C)C)C1=O 917437847 MPSXCNZPSGZHRK-UHFFFAOYSA-N 282.428 3.800 30 20 CHED Cc1ccc2sc(SCCO[C@H](C)C#N)nc2c1 919622012 MBPYVMOFTVQMGD-SNVBAGLBSA-N 278.402 3.626 30 20 CHED COc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)cc1 592985765 CJUIVVIQWHUHDD-UHFFFAOYSA-N 293.366 3.934 30 20 CHED Cc1ccccc1OCCCON=Cc1ccccc1F 742575321 FNDNWKSXYBHQLO-UHFFFAOYSA-N 287.334 3.954 30 20 CHED C[C@H]1CC[C@@H](CCC(=O)OCCC2(C#N)CCCCC2)O1 840242485 ZKIIMQZBCUBCLL-GJZGRUSLSA-N 293.407 3.741 30 20 CHED Cc1ccc(C2(C(=O)OCC3(CC#N)CC3)CCC2)cc1 842733024 UDXINTHPCGPALD-UHFFFAOYSA-N 283.371 3.654 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cc1c(C)noc1C 847744591 UOJOOSFJFYHPMX-DIOULYMOSA-N 291.391 3.758 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2ccccc2C#N)n1 590280190 RAULSQOGNFDQOP-MDZDMXLPSA-N 279.343 3.965 30 20 CHED N#Cc1cc(F)ccc1-c1cccc(CO[C@@H]2CCOC2)c1 596637182 SOWVIGVNMRZACF-QGZVFWFLSA-N 297.329 3.670 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\CSc2ccccc2C1=O 849242573 IFBLBJVFOUSWLZ-XYOKQWHBSA-N 296.395 3.670 30 20 CHED CCCCC[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1 748310752 KVLJRTFGJVOOJL-MRXNPFEDSA-N 295.386 3.938 30 20 CHED C=CCCCC(=O)OCc1ccc2ncccc2c1 749028314 HAEBQBNALBZQPI-UHFFFAOYSA-N 255.317 3.634 30 20 CHED C=C(C)CNC(=O)N(C)Cc1ccc(Cl)cc1Cl 681660598 MSCPJERIAMMVQR-UHFFFAOYSA-N 287.190 3.711 30 20 CHED C=C(CC)CNC(=S)Nc1ccccc1Cl 840826615 QFGVBDURJISNAA-UHFFFAOYSA-N 254.786 3.593 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cc(F)ccc1O 920386018 NRWGZVLVTSYKAU-LLVKDONJSA-N 272.323 3.606 30 20 CHED COc1cccc(C=NNc2cc(F)c(F)c(F)c2)c1 747638985 YPFACBBPLYJSAC-UHFFFAOYSA-N 280.249 3.559 30 20 CHED c1ccc(NN=C2CCCC[C@H]2N2CCCCCC2)nc1 749812295 MFAFJBKYWNLFPI-MRXNPFEDSA-N 286.423 3.668 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 928248609 LFSWYNZYBXNNOU-GFCCVEGCSA-N 288.347 3.540 30 20 CHED CCC(=NNc1oc(CC(C)C)nc1C#N)[C@H]1C[C@H]1C 841621852 OEGIRYVAGNBPEU-MNOVXSKESA-N 274.368 3.579 30 20 CHED N#C[C@@H](C(=O)[C@H]1CCC(F)(F)C1)c1nc(C2CC2)cs1 842945383 QGQURUKXUDLWHN-UWVGGRQHSA-N 296.342 3.632 30 20 CHED Cc1ccnc(NN=Cc2cccc(C(F)(F)F)c2)c1 755906834 RGXGSXHEJMLENU-UHFFFAOYSA-N 279.265 3.855 30 20 CHED C[C@@H](O)CN(CCCCC1(C#N)CCC1)C1CCCCC1 929532873 UDQHRRSMUKTYSJ-MRXNPFEDSA-N 292.467 3.866 30 20 CHED CC(=NNc1cc(C)ccn1)c1ccccc1Cl 755901516 WSBOJNWSKJZOBN-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CCCCCCCCN[C@@H](CC)c1ccn(C)n1 756664713 OZMVWDCOQBJGNL-AWEZNQCLSA-N 251.418 3.821 30 20 CHED C[C@@H](c1ccc2ccccc2c1)N(C[C@H](O)CC#N)C1CC1 929528185 KYDVYVIHZVNGGN-IFXJQAMLSA-N 294.398 3.640 30 20 CHED COC(=O)c1cccc(NN=C(C)CCCCC#N)c1C 853398125 RCENOUNFIZQVMQ-UHFFFAOYSA-N 287.363 3.653 30 20 CHED N#CC[C@@H]1CCCN(C(=O)/C(F)=C\C2CCCCC2)C1 855256559 OAIIEUGNYHCODC-AYYGCFCKSA-N 278.371 3.572 30 20 CHED CCCCCCCC(=O)NCC1CCN(CC2CC2)CC1 856413849 WEHOYBGQYUJHKA-UHFFFAOYSA-N 294.483 3.585 30 20 CHED COCC(CC(C)C)=NNc1nc(C(F)(F)F)cs1 755903357 FKNOLZWOHLCJEA-UHFFFAOYSA-N 295.330 3.622 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2ccc3c(c2)CCCO3)cn1 853010848 ODVNLTORRWCJCH-ALCCZGGFSA-N 296.370 3.685 30 20 CHED Fc1c(Cl)cccc1C=NNc1nc2ccccc2[nH]1 759646110 DRAKFIMZSAPSPI-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C#CCCCC(=O)N(Cc1cccc(C)c1)CC(C)C 757988012 YUBHAYONYXXHFR-UHFFFAOYSA-N 271.404 3.783 30 20 CHED CCCCCCCCC(=O)Nc1nc2ccc(F)cn2n1 754628815 JBZBYUVLIOJVMG-UHFFFAOYSA-N 292.358 3.558 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)=C(C)C 751362451 AOTOHZYUHQTRPN-UHFFFAOYSA-N 273.376 3.566 30 20 CHED O=C1/C(=C/c2cc3ccccc3o2)Cc2c(O)cccc21 750907247 VRAKTSAFACUPNR-FMIVXFBMSA-N 276.291 3.961 30 20 CHED CCCCCCCNC(=O)N(CC)CCC(F)(F)F 858111682 OGXBLEQDRLRSNQ-UHFFFAOYSA-N 282.350 3.941 30 20 CHED Cc1ccc(NN=Cc2scnc2C2CC2)cc1F 853438831 PJEWKIBSYLQCPN-UHFFFAOYSA-N 275.352 3.914 30 20 CHED C[C@H](CC(C)(C)C#N)NC1CCN(c2ccccc2)CC1 924739810 BYLDFRJSCFSGLY-OAHLLOKOSA-N 285.435 3.573 30 20 CHED C=C(C)[C@H](CC(=O)N1Cc2ccccc2[C@H](C)C1)OCC 755423006 DBGGAIBBXXHBCL-PBHICJAKSA-N 287.403 3.504 30 20 CHED C=CCCOCC(=O)O[C@H](C)c1ccccc1Cl 920723561 XKPBHOAFXZWQOI-LLVKDONJSA-N 268.740 3.537 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1ccc(O)c(F)c1)CO2 755594426 SPFQLNLHXDAPBX-NTUHNPAUSA-N 298.313 3.807 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\Cc2cccc(Cl)c2)c1 920942402 CANXQIICJTZGOJ-SXGWCWSVSA-N 290.706 3.573 30 20 CHED C=C[C@H](OC(=O)[C@@H]1CCO[C@@H](CC)C1)c1ccccc1 851451624 KCUJMMDROGRIGB-PMPSAXMXSA-N 274.360 3.662 30 20 CHED CC(CC1CCC1)=NNc1nc2cc(F)c(F)cc2[nH]1 758373161 WEPCRMPOZQABLG-UHFFFAOYSA-N 278.306 3.819 30 20 CHED CC(CCCCCCC(=O)O)=NNc1ccc(Cl)cn1 853435873 UHIDFTOFCKRCHJ-UHFFFAOYSA-N 297.786 3.948 30 20 CHED N#CC[C@@H]1CCCN(Cc2c(O)ccc3ccccc23)C1 853525320 CUQHHSQOKDHSIF-AWEZNQCLSA-N 280.371 3.671 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2cc(C)cc(C)c2)o1 751513962 ORRCVNZZUHXTJD-ALCCZGGFSA-N 298.338 3.969 30 20 CHED CC1(C)CC(=NNc2cccc3cnccc23)C(C)(C)O1 755887722 AZSSJNCKLLFTAQ-UHFFFAOYSA-N 283.375 3.980 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CC[C@H](C)C1 759171449 GGDOKAGPRPSPQL-GOEBONIOSA-N 287.378 3.614 30 20 CHED Cc1cccc2[nH]c(COC(=O)c3cc(C#N)cs3)cc12 754702855 IRMJARVXEFVFNF-UHFFFAOYSA-N 296.351 3.767 30 20 CHED C=C(C)CN1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 931803380 WTTGVTNGVCYAIZ-MRXNPFEDSA-N 287.794 3.587 30 20 CHED C[C@@H]1CN(CCCCC2(C#N)CCC2)CCC1(F)F 930512936 SFBMXYMOXHOTOV-CYBMUJFWSA-N 270.367 3.828 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(-c2ccc(F)cc2)cc1F 767253650 DMHXXKBOYOCUCA-GFCCVEGCSA-N 299.320 3.726 30 20 CHED C#CC[C@@H](CCOC)NC1CCC(c2ccccc2)CC1 862547402 DYAQVGFIPKULNG-XBMUEBEBSA-N 285.431 3.731 30 20 CHED C=CCN(C(=O)/C=C\c1ccc2[nH]ccc2c1)C(C)C 765778443 PACYAQYBPODHDY-VURMDHGXSA-N 268.360 3.604 30 20 CHED C=CCCCC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 760093211 XBXZBKGUPPFVSB-AWEZNQCLSA-N 283.375 3.787 30 20 CHED CC(C)[C@@H]1CC(=NOC[C@H]2CCOC2)c2ccccc21 766478749 VESQSNYVSPFYRC-BBRMVZONSA-N 273.376 3.587 30 20 CHED COc1cccc2cc(CN(CCC#N)CC(C)C)oc12 768153929 QJLRBXZJAHUAMG-UHFFFAOYSA-N 286.375 3.813 30 20 CHED C/C=C(/C=C/C(=O)N[C@@](C)(C#N)C1CCCCC1)CC 765554366 RTIUHKYFYVEKHD-AKDFKFFZSA-N 274.408 3.878 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1ccc(OCC#N)cc1 761493725 BEFISLMMOIQOQK-ZDUSSCGKSA-N 289.375 3.704 30 20 CHED CC(CCc1ccsc1)=NNc1nccnc1Cl 764909702 KIRGZIKVOWHYAD-UHFFFAOYSA-N 280.784 3.612 30 20 CHED C[C@H](OC(=O)Cc1ccc(F)c(Cl)c1)C(C)(C)C#N 860622793 CNZQVOHQOWPAPJ-VIFPVBQESA-N 283.730 3.503 30 20 CHED CN(Cn1nc(Cl)c2ccccc21)c1ccccc1C#N 769653977 QVRIKOBCICGBDO-UHFFFAOYSA-N 296.761 3.655 30 20 CHED CCCCCC(C)=NN1CCc2ccccc2C1=O 769594771 XWMYZDDWLPKFPO-UHFFFAOYSA-N 258.365 3.641 30 20 CHED C#CCCCCCc1nc(Cc2c(F)cccc2F)no1 761560516 KSZQHWMREKNQIY-UHFFFAOYSA-N 290.313 3.675 30 20 CHED CC(=O)[C@@](C#N)(CCN1CC(C)(C)C1(C)C)c1ccccc1 1119306932 WNYJTEKSHVESRX-IBGZPJMESA-N 298.430 3.547 30 20 CHED Nc1ccc(C=NNc2ccc3ccccc3n2)c(Cl)c1 1117679448 SVJQEYOBVICSDK-UHFFFAOYSA-N 296.761 3.916 30 20 CHED COc1cc(F)ccc1NN=Cc1sccc1C 761889216 CGTDBKLMJQHNJG-UHFFFAOYSA-N 264.325 3.650 30 20 CHED COc1cc(OC)c(NC[C@H](C)CCC#N)cc1Cl 876818661 WQRNFJBRRWSQFY-SNVBAGLBSA-N 282.771 3.709 30 20 CHED C=CCC[C@H](N[C@H](C)C(=O)OCCC)c1ccccc1 775462908 GGAHEQVNBUZADZ-ZBFHGGJFSA-N 275.392 3.625 30 20 CHED CCC(CC)CNN=Cc1cn[nH]c1-c1ccc(F)cc1 774478356 QNYPHOPCJVCCSM-UHFFFAOYSA-N 288.370 3.576 30 20 CHED C#CC[C@@H](NCCc1ccc(F)c(F)c1)c1ccccc1 775398390 IFSVQSHPVCXAPL-GOSISDBHSA-N 285.337 3.862 30 20 CHED C#CCCCCCCNc1ccc(N(C)C(C)=O)cc1 876836095 MWNHJDRLAPECJD-UHFFFAOYSA-N 272.392 3.665 30 20 CHED COc1ccc(CNc2ccc(OC(C)C)c(C#N)c2)cc1 779604008 QVLUAHJIJVLYOI-UHFFFAOYSA-N 296.370 3.966 30 20 CHED CC[C@@H]1CCCC(=NNc2nccnc2C(C)C)C1 773085550 JIVJIDAAAURLGE-GFCCVEGCSA-N 260.385 3.968 30 20 CHED CC(CCOCc1ccccc1)=NN[C@@H](C)C(F)(F)F 872380657 OFYLHJUMVLNNDI-LBPRGKRZSA-N 288.313 3.510 30 20 CHED Clc1cccc(NN=Cc2ccc(-n3cccn3)cc2)c1 873852469 JMZMBLADZLCCOT-UHFFFAOYSA-N 296.761 3.972 30 20 CHED Cc1ncc(CCNc2cc(Cl)ccc2C#N)s1 771925656 APMVJRXRFWSBRJ-UHFFFAOYSA-N 277.780 3.631 30 20 CHED N#Cc1ccc(CN(CCc2ccccc2)C2CC2)s1 1119700107 DYLJBIQEOMYWBD-UHFFFAOYSA-N 282.412 3.827 30 20 CHED CC(C)c1nccnc1NN=Cc1cscc1Cl 773090929 KSQSVBYXQCCQAB-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C=CCN(C)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 777839969 JTXZUMNNTVPUNZ-FMIVXFBMSA-N 257.377 3.642 30 20 CHED C#CCOc1ccc(NC(=O)C2=CCCCCC2)cc1 772991635 XPAJCVWFCRJFPA-UHFFFAOYSA-N 269.344 3.528 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2cscn2)c1 776193009 VGUIDNCWHKBLSP-VOTSOKGWSA-N 271.341 3.604 30 20 CHED C=CCN(C(=O)/C=C(\CC)c1ccc(C)cc1)C1CC1 771827333 GEWFNUZUPHXIQK-FYWRMAATSA-N 269.388 3.965 30 20 CHED C#CCC1(OC(=O)CCc2ccc3[nH]ccc3c2)CCC1 788080977 WNSAWGNPHFFJSE-UHFFFAOYSA-N 281.355 3.590 30 20 CHED C=CCCCCCOC(=O)c1cc2c(nc1O)CCCC2 783605835 BBNBDDJPXVVHIK-UHFFFAOYSA-N 289.375 3.569 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C)nc1Br 889637770 GSRXSNHTTRYQMM-UHFFFAOYSA-N 297.196 3.693 30 20 CHED Cc1ccc(F)c(COC(=O)c2cccc(CC#N)c2)c1 1128936217 JMNFGMQWIVWCPH-UHFFFAOYSA-N 283.302 3.557 30 20 CHED C=C(C)CCOC(=O)Cc1c[nH]c2cccc(OCC)c12 783105021 NJTBLTCUYXBQLP-UHFFFAOYSA-N 287.359 3.619 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c1 1129687896 OFEFQRHMQADUSW-RYUDHWBXSA-N 270.376 3.878 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccc3c(=O)[nH]ccc3c2)C1 789084686 BPDQLXONVIRFJT-OLZOCXBDSA-N 283.375 3.752 30 20 CHED C[C@H]1C(=O)CC[C@H](C(=O)OCCCC(C)(C)C#N)C1(C)C 784844714 KEPOSQIKWIJJFG-QWHCGFSZSA-N 293.407 3.501 30 20 CHED N#Cc1csc(C(=O)OCc2sccc2Cl)c1 785919653 RSVHKJNHYFOGQW-UHFFFAOYSA-N 283.761 3.692 30 20 CHED C#CCC(C)(C)C(=O)N(CCC=C)OCc1ccccc1 783875009 XVLXYFKOXPAXDR-UHFFFAOYSA-N 285.387 3.572 30 20 CHED C=C1CCN(C(=O)NCC[C@H](C)c2ccccc2)CC1 892594415 KXHPBWVHLKXHFA-HNNXBMFYSA-N 272.392 3.542 30 20 CHED CCSCCC=NNc1nc(C(F)(F)F)cs1 781125234 KUFWKZDCBWWZAC-UHFFFAOYSA-N 283.344 3.703 30 20 CHED C[C@H](Nc1ccc(OC(C)(C)C)c(C#N)c1)c1cnccn1 894889595 RWSHPZORVPBWFZ-LBPRGKRZSA-N 296.374 3.699 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 785415702 KTAAOWDBTHLGLR-PBHICJAKSA-N 289.423 3.560 30 20 CHED Cc1ccccc1C1(C(=O)OCC2(CC#N)CC2)CCC1 788367231 YFYIUCBMINFSRX-UHFFFAOYSA-N 283.371 3.654 30 20 CHED C#CC[C@H](OC(=O)c1cccc(Cl)c1C)c1ccccn1 786396758 UEFUHHNSVWLBNU-INIZCTEOSA-N 299.757 3.965 30 20 CHED c1ccc2cc(CCON=C3CCCOCC3)ccc2c1 783560053 OKMHIHVBWAMEBV-UHFFFAOYSA-N 283.371 3.955 30 20 CHED CC(C)[C@H](CCc1ccccc1)NCc1ccc(C#N)cn1 783294034 LRQLIWPNTJHGEG-IBGZPJMESA-N 293.414 3.700 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cnn(C3CCC3)c1)C2=O 899350809 QKIAHYRGFLFQJP-OVCLIPMQSA-N 278.355 3.739 30 20 CHED C[C@H](c1ccco1)N(Cc1ccc(C#N)cc1)C1CC1 86235190 VUUQOECFIYFLQX-CYBMUJFWSA-N 266.344 3.877 30 20 CHED CCN(C(=O)[C@@H](F)C(C)C)c1ccc(C#N)c(Cl)c1 784136439 HUNOFSKPNJDGCZ-ZDUSSCGKSA-N 282.746 3.559 30 20 CHED C=CCCOC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 729073195 FACRPNMHQVZYCD-UHFFFAOYSA-N 291.347 3.767 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNc1ncccc1[N+](=O)[O-] 797401098 ALYFRHHZUHUUAN-MNOVXSKESA-N 276.340 3.604 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 703692388 YZADVRYGDLYWNR-SNVBAGLBSA-N 299.201 3.817 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cc2c(s1)CCCCCC2 57309538 GUDBPUUSFDCBJJ-GFCCVEGCSA-N 290.432 3.639 30 20 CHED C[C@H](C(=O)OCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 798785327 PEBWVGRRUFWMKA-JTQLQIEISA-N 297.276 3.656 30 20 CHED C=C(C)CCOC(=O)C[C@@H](CC#N)c1ccccc1 796731745 AJUDQMRHTDSKLT-OAHLLOKOSA-N 257.333 3.583 30 20 CHED N#Cc1ccc(NCc2ccccc2[N+](=O)[O-])c(Cl)c1 62791158 XTLLEIPUVQDNHA-UHFFFAOYSA-N 287.706 3.732 30 20 CHED N#CC[C@@H](CC(=O)Oc1ccc(F)cc1)c1ccccc1 792865574 UHGFYSNDARMDKR-AWEZNQCLSA-N 283.302 3.819 30 20 CHED C#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12)C(C)C 799046640 NFQPEVHYMVXRCG-FHWLQOOXSA-N 291.394 3.717 30 20 CHED COc1cc(C)c(C(C)=NN[C@@H](C)C(C)(C)C)cc1OC 793113422 DRTDGBYCZKUQSG-ZDUSSCGKSA-N 292.423 3.760 30 20 CHED N#Cc1ccc2c(c1)N(CCCCC(F)(F)F)CC2 576483917 NCIHYNUTVDQAQO-UHFFFAOYSA-N 268.282 3.653 30 20 CHED N#Cc1ccc(NC(=O)C2CC3(CCC3)C2)cc1Cl 578894396 SZZRSZMCJGWCPF-UHFFFAOYSA-N 274.751 3.730 30 20 CHED C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)C(C)(C)C 96609755 NBVOGSFKSYBRKI-SNVBAGLBSA-N 261.325 3.561 30 20 CHED Cc1ccc2c(c1)N(CCc1ccc(C#N)cc1)C[C@@H](C)O2 1307520388 HJDMEGCALCGFJT-OAHLLOKOSA-N 292.382 3.697 30 20 CHED CCC(CC)CN(CC)c1nc(C#N)c(Cl)s1 1162886345 JDNPHNZFFUGHRX-UHFFFAOYSA-N 271.817 3.931 30 20 CHED Cc1ccc(CNCc2cccc(C#N)n2)c2ccccc12 1308819132 JTUWLCGKIJYVHJ-UHFFFAOYSA-N 287.366 3.705 30 20 CHED COC(=O)c1cccc(/C=C2\Cc3c(C)cccc3C2=O)c1 1319641055 SBYDLAKABYTSGH-XNTDXEJSSA-N 292.334 3.604 30 20 CHED C[C@@H]1Cc2ccccc2N1Cc1ccc(C#N)s1 1326716333 NCFSVXRXYLRKED-LLVKDONJSA-N 254.358 3.571 30 20 CHED CC/C(C)=C(\C)c1nnc(COc2ccccc2C#N)o1 1327796601 RFZCRYPUICJSDL-VAWYXSNFSA-N 283.331 3.724 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CSCc2cccs2)C1 1329007488 KTMFPZAMWYAIHZ-CYBMUJFWSA-N 295.473 3.796 30 20 CHED Cc1ccc(C=NOC(C)(C)C)c(-c2ccnn2C)c1 1321472159 DETKACAFCJBLQI-UHFFFAOYSA-N 271.364 3.545 30 20 CHED CCN(C(=O)CC#Cc1ccccc1)[C@H]1CCCC[C@@H]1C 1322557546 NJGGXDLOBPMSEZ-WMZOPIPTSA-N 283.415 3.855 30 20 CHED C=CC(C)(C)c1nnc([C@H](C)Oc2ccccc2F)o1 1326971365 RUDMXKMBJIEGNB-JTQLQIEISA-N 276.311 3.812 30 20 CHED CN(C(=O)c1csc(C#N)c1)[C@H]1CCC[C@@H]1C(C)(C)C 1325342664 YQWSLOOKVAQSAS-KBPBESRZSA-N 290.432 3.907 30 20 CHED Cc1cccc(C)c1-c1nnc(-c2ccc(C#N)cc2)o1 1322256916 NQMLCKOVBCJMLN-UHFFFAOYSA-N 275.311 3.892 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccccc1N1CCCC1 1338596532 RAKRAHMRPJMAPI-UHFFFAOYSA-N 286.419 3.602 30 20 CHED C#CC[C@H](C)OC(=O)/C=C\c1ccc2cc(OC)ccc2c1 1342559644 AYVOTNJOWUTSAU-JOHMGYAOSA-N 294.350 3.817 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)o1 1346661935 FPPCMTDWWZFHOP-NSHDSACASA-N 269.348 3.585 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1c1cccc(CC#N)n1 1342867209 ZTPQIIMKXXEEEQ-UONOGXRCSA-N 271.408 3.799 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1cc(C#N)ccc1F 1435231745 HKKXFXGGOGIGLE-ZETOZRRWSA-N 275.323 3.679 30 20 CHED CC1(C)Cc2cccc(C(=O)Nc3ccc(C#N)cc3)c2O1 1524222372 FRXRLLDSPGQXDR-UHFFFAOYSA-N 292.338 3.524 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccccc2nc1Cl 1528383076 IDXUMSJGZIKMRP-GFCCVEGCSA-N 288.778 3.973 30 20 CHED C=C(CNC(=O)c1ccc2scnc2c1)c1ccccc1 1460676558 ZYJJOESZRMUZRH-UHFFFAOYSA-N 294.379 3.740 30 20 CHED Cc1ccc2[nH]c(C(=O)Nc3cc(F)cc(C#N)c3)cc2c1 1471132270 GYHXWOGGRUQPDO-UHFFFAOYSA-N 293.301 3.739 30 20 CHED C[C@@H](Nc1nc(C(F)(F)F)ns1)c1ccc(C#N)cc1 228774499 YLEAALPUKMYPCH-SSDOTTSWSA-N 298.293 3.602 30 20 CHED Cc1ccc(CCNc2nccc(C)c2C#N)c(C)c1 1559082488 PYZBLEAOIHOGON-UHFFFAOYSA-N 265.360 3.533 30 20 CHED CCOCc1cccc(Nc2nc(C#N)c(Cl)s2)c1 1559091839 LCHYWQSUHCOWAQ-UHFFFAOYSA-N 293.779 3.948 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2ccccc2CC#N)C1 1630021761 ILGIXMLIRCGLMZ-CQSZACIVSA-N 284.403 3.699 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(Cc3cccc(C#N)n3)C2)cc1 1560793528 RBJIDBQHDGSYSE-DOTOQJQBSA-N 291.398 3.640 30 20 CHED C=C(CNCc1ccc2c(c1)C[C@H](C)O2)c1ccccc1 1649118030 VPYSCWANJIRKDM-HNNXBMFYSA-N 279.383 3.813 30 20 CHED COc1ccc(CNc2n[nH]c(C)c2C#N)cc1C(C)(C)C 1658083514 AXZXMKZXAHJKAD-UHFFFAOYSA-N 298.390 3.508 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 1667620585 YLEGEIDZPOMFBO-JKSUJKDBSA-N 297.402 3.957 30 20 CHED N#CCC[C@@H](NCc1cc2cnccc2o1)c1ccccc1 1661985830 GMYYTCBBWBLWBR-QGZVFWFLSA-N 291.354 3.962 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)ccc1F)c1cccc(F)c1 1596936887 SFWQJPLPNRNSBK-JTQLQIEISA-N 286.281 3.579 30 20 CHED C=C(CNC(=O)N[C@H]1CCCC[C@@H]1CC)c1ccccc1 1674611288 BYVOQIQOYWYDCP-RDJZCZTQSA-N 286.419 3.968 30 20 CHED Cc1ccc(NN=Cc2cccc(C(=O)O)c2)c(Cl)c1 1776060631 FSUXJIRGNJAAGQ-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C=C(C)CCCC(=O)Nc1ccc([C@H](C)C(=O)O)cc1 1776138291 CUZXWJPPTLJPHL-LBPRGKRZSA-N 275.348 3.560 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC=C 161393598 MOSQQCLUCJIMAY-UHFFFAOYSA-N 299.292 3.528 30 20 CHED O=C(/C=C\c1cccs1)c1ccc(F)c(F)c1 206083013 KPTWJKYRKDLLNU-XQRVVYSFSA-N 250.269 3.922 30 20 CHED N#Cc1ccc(COc2cccc(C=O)c2)c(Cl)c1 163130789 LNBRQUICBNMGOQ-UHFFFAOYSA-N 271.703 3.603 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)O[C@H](C#N)C1CC1 166783129 JNCWIMMLCRNLGF-QQBNSCQMSA-N 275.735 3.589 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](c2ccccc2)C2CC2)c1 152362128 XRPOAAXKHMDOTE-LJQANCHMSA-N 289.378 3.825 30 20 CHED N#CCC[C@@H](NC(=O)C1CCCCC1)c1ccccc1 153204560 IUCHRVCKMHGYRR-MRXNPFEDSA-N 270.376 3.728 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@@H](c2ccccc2)C1 153631472 RAKJJCVWKIFTMK-QGZVFWFLSA-N 292.382 3.556 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1OC(C)(C)C 157429728 WCAZNFHRFQGGNE-UHFFFAOYSA-N 262.353 3.514 30 20 CHED C=CCC[C@H](CCC)N[C@H](COC)c1ccco1 156729670 HNOLYXTYFMIGIW-UONOGXRCSA-N 251.370 3.692 30 20 CHED C=CCN(C)Cc1ccc(Oc2cccnc2)c(C)c1 154760442 JSLVXZWUFBCSNG-UHFFFAOYSA-N 268.360 3.800 30 20 CHED CC(=O)c1cc2c(cc1OC[C@@H](C#N)CCC#N)CCCC2 154933831 SDVVOCXSLLWFKD-CQSZACIVSA-N 296.370 3.590 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1F 136246294 VVBLRHMYUFMOFP-GFCCVEGCSA-N 288.244 3.723 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@](C)(O)C1 152441908 SOOPAOOCLZREJF-MRXNPFEDSA-N 269.429 3.501 30 20 CHED CC(C)(C#N)CNC(c1ccccc1)c1ccccc1 167318131 NKFPJHBLSUUNPG-UHFFFAOYSA-N 264.372 3.915 30 20 CHED C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 35255675 OPIKJNLRCSFZMY-LLVKDONJSA-N 267.288 3.640 30 20 CHED CC1(C)CC(NC(=O)C2(C#N)CCCC2)CC(C)(C)C1 159724734 QLWNJDXVRNMOTH-UHFFFAOYSA-N 276.424 3.791 30 20 CHED C[C@@H](Nc1ccc(F)cc1)c1ccc(OCC#N)cc1 37210522 BPWMMQVFQMSIRQ-GFCCVEGCSA-N 270.307 3.901 30 20 CHED COc1ccccc1N(C)Cc1ccc(C#N)cc1Cl 162895924 XDRIVEXZRWXKMT-UHFFFAOYSA-N 286.762 3.857 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)o1 345358909 JVQOTPQJVNXDRT-UHFFFAOYSA-N 275.735 3.761 30 20 CHED C=C(CC)CN(C)Cc1csc(Br)c1 404204470 RTEWPHSPVRTHOS-UHFFFAOYSA-N 274.227 3.909 30 20 CHED C=CCN(Cc1ccc(Br)cc1)C(C)C 516746585 WTNCGIDDMQRRSX-UHFFFAOYSA-N 268.198 3.846 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(F)ccc1C#N 468848308 FUGVBQXXMQZLFZ-UHFFFAOYSA-N 280.346 3.886 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1cccc(CC#N)c1 424861291 DMICFGZKNCTFIN-SWLSCSKDSA-N 256.349 3.517 30 20 CHED C=C(CC)CS[C@H](CC)C(=O)NCc1ccccc1 581213550 MDNCQVIJCSTDFQ-OAHLLOKOSA-N 277.433 3.781 30 20 CHED C=CCCSCCNC1CCN(c2ccccc2)CC1 594960863 YGKZNZOHZVSXCN-UHFFFAOYSA-N 290.476 3.554 30 20 CHED Cc1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1C 59269979 YXWWCWKOKRXREL-NTEUORMPSA-N 264.324 3.831 30 20 CHED C#CCCCSc1nnc(SCCCC#C)s1 9460525 YMKUIPHYWLVLOR-UHFFFAOYSA-N 282.459 3.549 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)c1ccccc1 53686975 IASHVJYWODHCMM-UHFFFAOYSA-N 278.355 3.544 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(C)c1 23986666 OZGNKSGIOUSJQR-KRWDZBQOSA-N 278.355 3.748 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C1(C#N)CCCCC1 175759449 PPDSUUVHCBPCQX-RDJZCZTQSA-N 296.414 3.865 30 20 CHED CCCCCCCCC(=O)N[C@@H]1c2ccccc2C[C@H]1O 104577940 VCYLRKJJLRYYQO-SJLPKXTDSA-N 289.419 3.512 30 20 CHED C=CCNC(=O)N(C)[C@H](c1ccccc1Cl)C(C)C 113574572 BXASAVGADMKINL-AWEZNQCLSA-N 280.799 3.865 30 20 CHED COc1cccc(/C=C2\Cc3ccc(OC)cc3C2=O)c1 176938578 NHCVSHIUYOUZOA-RIYZIHGNSA-N 280.323 3.526 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cc1 112774862 GETIMJLEERPINM-CABCVRRESA-N 298.292 3.579 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCCCc1ccc(C)cc1 63646240 FPJCBSUJRYHZEO-INIZCTEOSA-N 286.419 3.716 30 20 CHED C=CC1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 110367308 ZVBUOHVHKZKQNY-GJZGRUSLSA-N 289.806 3.868 30 20 CHED N#C[C@@H](C(=O)CCCC1CCCC1)C(=O)Nc1ccccc1 173967168 CFHLTTIOSLPHJR-INIZCTEOSA-N 298.386 3.694 30 20 CHED Cc1ccc(C[C@@H](C)Nc2c(C#N)cccc2C#N)s1 302875431 FLAPIHNBHHPPKI-LLVKDONJSA-N 281.384 3.843 30 20 CHED C=CCCC(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 177300996 LPZUMLPFRLZLAQ-JTQLQIEISA-N 287.281 3.729 30 20 CHED N#Cc1ccc(Nc2ccc(OC3CCCC3)c(F)c2)nn1 301955467 DZQLBILWYVLKMB-UHFFFAOYSA-N 298.321 3.552 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CCCc2cccs2)C1 116806589 SJKLDCSWNIANRS-BBRMVZONSA-N 290.432 3.659 30 20 CHED CC(C)Cc1noc(CSCc2cccc(C#N)c2)n1 170941482 DGTZDKOHGBERFL-UHFFFAOYSA-N 287.388 3.573 30 20 CHED N#Cc1ccccc1CNc1cc(F)c(F)cc1F 61094177 DIUYYQSQUWEAHV-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=C1CCN(CCOc2ccc3ccccc3c2)CC1 518677441 OABYJKCXCJPTOK-UHFFFAOYSA-N 267.372 3.871 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1ccccc1C#N 353647943 NEFKYDKRGRPADO-CQSZACIVSA-N 262.356 3.505 30 20 CHED CN(C(=O)CCCc1ccc(Cl)cc1)C1(C#N)CCC1 66321710 UQGWETBNYCCCGP-UHFFFAOYSA-N 290.794 3.567 30 20 CHED C#CCCCCC(=O)Nc1ccccc1OC(C)(C)C 120156826 DKKUBZRBEAULBO-UHFFFAOYSA-N 273.376 3.996 30 20 CHED C#CCCOc1cc(F)c(Br)cc1Cl 306297207 MTQFVGCJOZNFLI-UHFFFAOYSA-N 277.520 3.644 30 20 CHED C=CCNC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 127784137 CALNYLXQNRMCGT-ZDUSSCGKSA-N 282.334 3.537 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]2CCO)cc1C(F)(F)F 302470071 UFFDGUGHZXNXOR-QMTHXVAHSA-N 298.308 3.540 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1coc2ccccc12 180319409 DFGBKGDDFXUKKM-CMDGGOBGSA-N 288.306 3.977 30 20 CHED C#CCOc1ccccc1NC(=O)CCSCCCC 187230507 NHLHZMUOMORUKI-UHFFFAOYSA-N 291.416 3.561 30 20 CHED N#Cc1ccc(CN[C@H]2CCO[C@H](c3ccccc3)C2)s1 185148888 LAISWMVFZZRFFN-YOEHRIQHSA-N 298.411 3.630 30 20 CHED CN(CCC#N)c1ccc(CNc2cccc(C#N)c2)cc1 183288519 WZWRSVOURWVFGH-UHFFFAOYSA-N 290.370 3.520 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2ccc(CC#N)cc2)cc1 185154654 BZARCKBTHIFTRW-AWEZNQCLSA-N 291.354 3.656 30 20 CHED CC[C@H](CN(CC)C(=O)c1cc(C#N)c[nH]1)c1ccccc1 185145081 YFISCZVAVSFDNP-OAHLLOKOSA-N 295.386 3.542 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C(F)(F)c1ccccc1 187525117 QDOKJWKCOFAPKG-UHFFFAOYSA-N 294.345 3.709 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(C#N)ccc1Cl 504567027 XMDZMLJJCMYVRU-JRPNMDOOSA-N 290.794 3.766 30 20 CHED CCC[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 500300459 AGUZZOZMVPSDLM-OAHLLOKOSA-N 286.419 3.979 30 20 CHED C=CCCCC(=O)NCc1cc(Br)ccc1C 188572234 GCMKJUFXQSNRSE-UHFFFAOYSA-N 296.208 3.730 30 20 CHED CC(C)Oc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 316919031 VENKPSMTMFRQBM-UHFFFAOYSA-N 297.314 3.997 30 20 CHED CC1(C)CCC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 313919096 AORMJHFHZIESPC-NSHDSACASA-N 292.329 3.535 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 187777338 GRNVJLUOSQGEPG-QZTJIDSGSA-N 283.415 3.708 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(F)cc1C(F)(F)F 122884991 POERYOJKHAMHAN-UHFFFAOYSA-N 287.256 3.659 30 20 CHED COc1cccc(SC)c1NCCC(C)(C)C#N 417082609 YHQFHERZMJHIFH-UHFFFAOYSA-N 264.394 3.769 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OCC)c(OC)c1 189879066 CRLOFHXGHCFEAD-INIZCTEOSA-N 277.364 3.635 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(-c2nc(C)co2)c1 186027647 FNDFCKXYSGOCAH-UHFFFAOYSA-N 282.343 3.638 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)[C@H](C)CC 183551394 HHLNFTSZIBZNKB-CABCVRRESA-N 284.403 3.755 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1nccn1C)c1ccc(F)c(F)c1 186447100 NIAPRRZRWCPSLZ-XHDPSFHLSA-N 291.345 3.666 30 20 CHED N#CC1CCN(Cc2c(Cl)cccc2Cl)CC1 32116306 XRBPYTKXNQPCQA-UHFFFAOYSA-N 269.175 3.729 30 20 CHED CC(C)(CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 317177560 GKPZDZRXJQBMJO-UHFFFAOYSA-N 295.342 3.856 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CC(C)C)C1 188513827 IPSCQCQHTPLMPD-GOEBONIOSA-N 251.414 3.873 30 20 CHED COc1ccccc1CN(CCC(C)(C)C#N)C1CC1 157732237 GPCPSLALBLOQIO-UHFFFAOYSA-N 272.392 3.599 30 20 CHED CC[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)[C@H]1CC1(C)C 416278490 RGVZIUCCPDENPS-ZACQAIPSSA-N 298.430 3.700 30 20 CHED CCCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 185783733 NWJVLDIKEJPENJ-HOTGVXAUSA-N 272.392 3.647 30 20 CHED C#C[C@@H](C)NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 186081072 BZBOQJZNKOFPPF-CABCVRRESA-N 284.403 3.581 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)Sc2ccccc21 182806072 PJHRXLQFRSEFQY-CYBMUJFWSA-N 273.401 3.707 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccccc1)c1ccccc1 73982119 NMVMLLBENRXLMC-HNNXBMFYSA-N 281.355 3.673 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1cc(C)ccc1F 410724507 KYDZVVLHZPTZRR-UHFFFAOYSA-N 290.382 3.608 30 20 CHED CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)c1ccc(C#N)cc1 411893077 NRWWDZNTXXDMPX-ZNOIYHFQSA-N 292.382 3.521 30 20 CHED COc1cc(C)c([C@H](C)NCC(C)(C)CC#N)cc1OC 414167162 OTKZGCLXTYTCSN-ZDUSSCGKSA-N 290.407 3.603 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(F)c(F)c1C 414051397 JOJRMOZTHXUWQE-UHFFFAOYSA-N 253.292 3.814 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCc2c(Cl)cccc21 185261325 XVOHOAXNXRSZIC-OAHLLOKOSA-N 275.779 3.637 30 20 CHED N#CCc1ccc(CSC[C@H]2C[C@H]3CC[C@H]2O3)cc1 419564031 MUZIEANDHVOZER-BZUAXINKSA-N 273.401 3.553 30 20 CHED C=CC(C)(C)C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 412396276 BLDJHQQOKMKEHT-UHFFFAOYSA-N 297.320 3.843 30 20 CHED CO[C@@H]1CC[C@H](/N=C(/O)Nc2cccc3ccsc23)C1 329973868 ZTBWSVDCOKHASP-NWDGAFQWSA-N 290.388 3.795 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 136169842 VOMRKSUBCWPXFA-GFCCVEGCSA-N 271.147 3.872 30 20 CHED Cc1ncsc1N=C(O)C[C@@H]1CCOc2ccccc21 329934599 JXKKKNOTRSLAFK-NSHDSACASA-N 288.372 3.996 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCC[C@H]2C2CC2)CC1 412458600 CTCOQVGKIZSFEM-CABCVRRESA-N 261.409 3.675 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@@H]1CCCS1 87475510 PFMLGLXQCPLSEA-NSHDSACASA-N 252.770 3.519 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(C2CC2)cc1 416075879 GEDRPNPUSDYQMH-PXAZEXFGSA-N 270.376 3.681 30 20 CHED CCN(Cc1cccs1)C(=O)Nc1cccc(C#N)c1 338333462 RPLHDHSGDLHLBI-UHFFFAOYSA-N 285.372 3.674 30 20 CHED C=C(C)CCN1CCc2c(F)cc(F)cc2[C@@H]1C 509373355 PMSXQKIKEZQPTH-NSHDSACASA-N 251.320 3.850 30 20 CHED C[C@H](OC(=O)C(C)(C)C#N)c1cc2ccccc2o1 191404240 YGYJDVDJXKRAOQ-JTQLQIEISA-N 257.289 3.587 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(F)nc1F)c1ccccc1 193706394 AAASRRHJXKCSHX-LLVKDONJSA-N 288.297 3.658 30 20 CHED N#Cc1ccc(CNc2cccc(Br)c2)s1 135510282 UOBBGRZCRUURIK-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1cc(F)ccc1OC 135720585 FQRMXFSWNVZBKG-VXGBXAGGSA-N 251.345 3.840 30 20 CHED Cc1cc(N2CCC(n3c(C)ccc3C)CC2)c(C#N)cn1 425220102 HWUGKHGWLNMPJV-UHFFFAOYSA-N 294.402 3.522 30 20 CHED CCN(CCc1cccs1)Cc1ccc(C#N)cc1C 614396742 KKUDAPAMCHEGDB-UHFFFAOYSA-N 284.428 3.993 30 20 CHED Cc1cc(SCc2nnc(C(C)C)o2)ccc1C#N 516926384 CQHDIRXRMVNLMZ-UHFFFAOYSA-N 273.361 3.665 30 20 CHED C[C@@H]1C[C@@H](/C(O)=N/CCc2c[nH]c3ccccc23)CCC1=O 328938817 RRCYNKSJXQKPAN-OLZOCXBDSA-N 298.386 3.672 30 20 CHED Cc1ccoc1C(=O)/C=C/c1nc(-c2ccccc2)c[nH]1 193143178 PTBLKMQQBFUERJ-BQYQJAHWSA-N 278.311 3.874 30 20 CHED O/C(=N/[C@@H]1CCCc2occc21)c1ccc2c(c1)COC2 328968580 NTUDDBOBUMWFPY-OAHLLOKOSA-N 283.327 3.692 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 135129306 ZJLDRAUFSUSWBO-ZBFHGGJFSA-N 279.424 3.587 30 20 CHED C[C@H]1CC[C@@H](C(O)=Nc2cccc3c2CN=C3O)C1 329270588 IWPICZVHAQFEMT-VHSXEESVSA-N 258.321 3.529 30 20 CHED O=C(/C=C/c1cc(F)c(F)cc1F)c1ccc(O)c(F)c1 130063232 POPYEIVDCSDNPE-HNQUOIGGSA-N 296.219 3.845 30 20 CHED CCCCCCCC[S@@](=O)Cc1ccc(CO)cc1 190846534 UYTYTKHSSMNUNJ-LJQANCHMSA-N 282.449 3.788 30 20 CHED CC(C)(C)c1ccc(N/C(O)=N/C[C@@]2(C)CCOC2)cc1 330768828 YQBLKJFRMVAHTQ-QGZVFWFLSA-N 290.407 3.737 30 20 CHED Cc1oc(C(C)C)cc1C(=O)NCc1ccc(C#N)s1 421599687 FGVKUQGVOIGBEI-UHFFFAOYSA-N 288.372 3.575 30 20 CHED C[C@H](c1cccs1)N(C)CCOc1ccccc1C#N 48554228 OFQNAZQMWCZVSM-CYBMUJFWSA-N 286.400 3.692 30 20 CHED CC(C)(C)c1ccccc1C(=O)NCc1ccc(C#N)s1 421600452 HRWCSNVFSXTPSO-UHFFFAOYSA-N 298.411 3.847 30 20 CHED C[C@H](Cc1cccs1)Nc1nc(Cl)c(C#N)s1 235470912 CNJAHXUFNCMWHZ-SSDOTTSWSA-N 283.809 3.773 30 20 CHED C[C@H](NCCCCOC(C)(C)C)c1cccc(C#N)c1 616114361 URPBNHDIZVIXFQ-AWEZNQCLSA-N 274.408 3.804 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C 425489133 NPEKTQNTXSVVCV-HZSPNIEDSA-N 252.402 3.561 30 20 CHED Cc1cncc(CNc2ccc(C(F)(F)F)cc2C#N)c1 230306601 HSGSSECVDCHCKR-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC(C)CCSCC(=O)Nc1ccc(C#N)c(Cl)c1 512395254 RKHLEUNJIMQHSY-UHFFFAOYSA-N 296.823 3.929 30 20 CHED Cc1cc(/C=C/C(=O)c2ccccc2C#N)ccc1F 194589896 HXQGFKHOYQJEKO-VQHVLOKHSA-N 265.287 3.902 30 20 CHED C=CCN(CCC#N)CCSc1ccc(C)c(C)c1 428866067 YADSWONHFSINLW-UHFFFAOYSA-N 274.433 3.797 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCCC1(F)F)CC2 334672208 SLAMCYLAZHKHLC-DZGCQCFKSA-N 276.330 3.571 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(C(=O)O)cc1 96792728 USGAKVCLFQJATR-FLIBITNWSA-N 266.296 3.589 30 20 CHED CC(C)(C)CCCC/N=C(/O)N[C@H]1CCCc2c[nH]nc21 331116813 MMIYUAZCHOSBDY-ZDUSSCGKSA-N 292.427 3.507 30 20 CHED N#Cc1ccc(CNCCCc2ccc(Cl)cc2)cc1 237736113 RSMXJUQYOCOPBU-UHFFFAOYSA-N 284.790 3.934 30 20 CHED C[C@@H](c1ccc(F)cc1F)N1CCC(CC#N)CC1 336592662 VYGXODCIHAFSGC-NSHDSACASA-N 264.319 3.651 30 20 CHED C=CCCC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 338658878 KHNBDSUHROHYOK-WCQYABFASA-N 283.293 3.644 30 20 CHED CC1(C)[C@@H](N[C@@H]2CC[C@H](C#N)C2)C[C@H]1Oc1ccccc1 424320284 FZNGDIYGQZCVGF-HDEZJCGLSA-N 284.403 3.514 30 20 CHED CC(C)n1ncc2ccc(N[C@H]3CC[C@H](C#N)C3)cc21 336171113 GWGZPNXLQNABHD-JSGCOSHPSA-N 268.364 3.721 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)NCc1ccc(C#N)s1 422215117 HQFBBPSLJVHYHI-UHFFFAOYSA-N 293.436 3.634 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(C)c2ccccc2C#N)C1 337834974 CSPTVVXSNUIPPW-KGLIPLIRSA-N 270.376 3.737 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@H]1CCC[C@H]1C#N 331481273 FDBDOACKNDHJNJ-XIRDDKMYSA-N 297.402 3.534 30 20 CHED C/C=C/c1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 335091470 AIJJFMUZOAGCRJ-JHJUWLLWSA-N 269.348 3.533 30 20 CHED C[C@@H](CC#N)N(C)c1cc(SCc2ccccc2)ncn1 519547084 HGYMFGZHBVTRQK-ZDUSSCGKSA-N 298.415 3.507 30 20 CHED CC1(C#N)CCC(Nc2cccc([C@@H]3CCC(=O)N3)c2)CC1 333950434 YDYQBKAHEJJHSC-HQVVEAJESA-N 297.402 3.522 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(CCC)c1 435744524 GAAKAKVNROVYQH-MSOLQXFVSA-N 273.420 3.710 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 432553837 BMFKIIOYHSJGIL-GOEBONIOSA-N 286.419 3.991 30 20 CHED CCC[C@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 513129438 KUIIEHFTPSSFQB-AWEZNQCLSA-N 279.428 3.538 30 20 CHED Cc1cc(C)c(C#N)c(SCC#Cc2ccc(F)cc2)n1 433406371 OHRJJLMOXQHKDM-UHFFFAOYSA-N 296.370 3.853 30 20 CHED CC(C)(C#N)C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 334752363 UIPKIJRNWQPCMR-OCCSQVGLSA-N 290.794 3.642 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc2[nH]ccc2cc1C 438369080 FJFVRVJBQMJLLI-KRWDZBQOSA-N 286.375 3.644 30 20 CHED COc1csc(C(=O)Nc2sc(C)c(C)c2C#N)c1 336501649 QVRWLDKZZOMOAM-UHFFFAOYSA-N 292.385 3.559 30 20 CHED N#CCc1ccc(NCc2c[nH]nc2-c2ccsc2)cc1 436277527 YNKNBKHTOQYNBZ-UHFFFAOYSA-N 294.383 3.816 30 20 CHED C=CCN1CCC(N[C@H](c2ccc(C)o2)C2CCC2)CC1 349449463 GCLJPGIBBWPBNC-SFHVURJKSA-N 288.435 3.669 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 537097396 NCYBPECNZMXRBX-WDEREUQCSA-N 288.218 3.829 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2oc(C(=O)O)cc2c1 439997489 VYUPMQNDNFJPKU-UHFFFAOYSA-N 299.326 3.838 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCCOc3cc(F)ccc32)C1 248898576 UFENXRGTXUQQKT-INWMFGNUSA-N 288.366 3.711 30 20 CHED Cc1cccc(CSCc2ccc(F)cc2C#N)n1 346570265 VEPCGKKMXCLXTF-UHFFFAOYSA-N 272.348 3.834 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)cc2Cl)C1 430361196 UUTOZFZTMFAUDP-GHMZBOCLSA-N 276.767 3.976 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1c(F)cccc1F 432113878 ABFQRGOCLWPATE-NSHDSACASA-N 296.361 3.927 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C 436128499 HMAXKJWBXCSGSD-INIZCTEOSA-N 296.370 3.977 30 20 CHED CCC(CC)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)N1CCCC1 248897483 UATVPZJNTFBYPL-NXHRZFHOSA-N 291.483 3.559 30 20 CHED Cc1csc(NC(=O)CCc2ccc(F)cc2)c1C#N 344927539 LAAUBQVPRZYZSI-UHFFFAOYSA-N 288.347 3.639 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC)CC1CCCC1 437513795 AGZLLZNJGMGUPE-ULQDDVLXSA-N 293.451 3.690 30 20 CHED N#Cc1ccc(S[C@H]2CCO[C@@H](c3cccnc3)C2)cc1 600520293 ILPPXKDOJBQQRY-DLBZAZTESA-N 296.395 3.966 30 20 CHED Cc1nsc(NCc2c(C)oc3ccccc23)c1C#N 342884892 RQZUTQVXUBWKID-UHFFFAOYSA-N 283.356 3.990 30 20 CHED COc1ccc(CCC(C)=NOCCOC(C)(C)C)cc1 255323435 NWULDBSOPHECQX-UHFFFAOYSA-N 293.407 3.835 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H]1CC=CCC1 605985141 IVFBEXUHNUZGTP-INIZCTEOSA-N 276.424 3.873 30 20 CHED C=C(C)CCc1noc(-c2cnc([C@H](C)OCC)s2)n1 349778258 PNULJIRSFSUSEO-JTQLQIEISA-N 293.392 3.799 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)o1 255617782 OEKOCGNMYMQKDB-UTCJRWHESA-N 284.311 3.509 30 20 CHED N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)cc1 449618367 BFZACLCMXDHZCL-HZPDHXFCSA-N 298.411 3.630 30 20 CHED CC(C)c1ccc(CCC(=O)N(CCC#N)C(C)C)cc1 608815030 YIZPHMFPHKWSQE-UHFFFAOYSA-N 286.419 3.893 30 20 CHED C[C@H](N[C@@H](C#N)Cc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 604553115 LBVHRGKCEYUZRH-FUJDEKNSSA-N 268.404 3.536 30 20 CHED CCC(C#N)(CC)c1nc(Cc2ccc(C)s2)no1 528198760 SYVJDBHHWMLXJJ-UHFFFAOYSA-N 275.377 3.612 30 20 CHED C=CCCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1CC 522040447 CHLPXWZGUZTOFP-UHFFFAOYSA-N 291.351 3.635 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2ccc(C#N)s2)c(C)s1 354358190 IGMRJRSCNOPNMP-SECBINFHSA-N 290.413 3.789 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnc2c(F)cccc2c1 351623974 LHRPHKQDPQXNQV-AWEZNQCLSA-N 284.334 3.555 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)c(OC)c1 539522644 QYXQUYHNTMIXIH-NSHDSACASA-N 281.783 3.823 30 20 CHED Cc1cccc2c1CCN2[C@@H](C)c1ccc(C#N)cc1 600850555 ZYLXFTLSSNNANT-AWEZNQCLSA-N 262.356 3.990 30 20 CHED N#Cc1cccc(CNc2ccccc2OC2CCCC2)n1 602493876 ZXHOXBVBFGMZRM-UHFFFAOYSA-N 293.370 3.887 30 20 CHED Cc1ccccc1COc1cccc(NC(=O)[C@H](C)C#N)c1 531294734 QQPHBNLYNMGWQE-CQSZACIVSA-N 294.354 3.672 30 20 CHED CC(C)(C#N)CCSc1ccc([N+](=O)[O-])cc1F 618965191 STWLSVFNEARPFW-UHFFFAOYSA-N 268.313 3.766 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCO[C@@]2(CCSC2)C1 449198062 ZNVXGMBBCBMDKK-JYJNAYRXSA-N 283.481 3.766 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(O)cc(F)c1 352010271 AQCFACNHVFVLIX-UHFFFAOYSA-N 278.371 3.683 30 20 CHED C=C[C@@H]1OCC[C@H]1NC1CCC(c2ccccc2)CC1 449524165 ZFWMDZNRGPQFMZ-HIEASXQVSA-N 271.404 3.646 30 20 CHED CC[C@H](C)[C@H]1CCCCN1Cc1cccc(C#N)c1 610001885 KDYKQDKKEUMDDF-WMLDXEAASA-N 256.393 3.959 30 20 CHED CSCc1ccccc1NC(=O)c1ccc(C#N)s1 352821062 FKYNXMYVNDZSKR-UHFFFAOYSA-N 288.397 3.735 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(OCC)c(OC)c1 537068452 DBTRFWZESLZAKQ-CYBMUJFWSA-N 263.381 3.711 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc(C(C)C)n2)s1 354245513 CKZSXISQNVFHTP-UHFFFAOYSA-N 299.399 3.953 30 20 CHED C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccc(Cl)s1 612239839 ZQHVCGZENLWFGD-IINYFYTJSA-N 296.823 3.657 30 20 CHED C=CC[C@H](C)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 447581233 SLEQMSHLXFFRQX-WCQYABFASA-N 291.391 3.696 30 20 CHED C[C@]1(C#N)CCCN(CCCSCc2ccccc2)C1 612162713 LXRQWPQDRKTURM-QGZVFWFLSA-N 288.460 3.936 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C1\CC[C@H](C)C1 267840369 HXYHBOWCEKPPFJ-DLEKYWELSA-N 294.398 3.819 30 20 CHED CC(C)c1cccc(C(=O)N[C@H](C)c2cccc(C#N)c2)n1 610771720 DMDHRTPXHVBFHP-CYBMUJFWSA-N 293.370 3.568 30 20 CHED CCc1nnc(CS[C@@H](C)c2cccc(C#N)c2)s1 615465982 LBTCGIIHTUFJJZ-JTQLQIEISA-N 289.429 3.967 30 20 CHED Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 611465981 BFONXAQEUNLICM-STQMWFEESA-N 283.350 3.813 30 20 CHED Cc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c(C)n1 611300381 XGWYNKHITVGCQA-HIFRSBDPSA-N 279.387 3.982 30 20 CHED C=CCCCN(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 530950219 SUFPQGLKFCOLNX-HKUYNNGSSA-N 286.463 3.938 30 20 CHED CC[C@H](C)CC(=O)Nc1cc(C#N)ccc1NC1CC1 355656350 UANZWNMZQONCBV-NSHDSACASA-N 271.364 3.507 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1csc(Cl)c1Cl 449546603 CMHBNKOSUJREBZ-ZJUUUORDSA-N 292.231 3.878 30 20 CHED Cc1ccc(CC(=O)N(C)c2cccc(C#N)c2)c(Cl)c1 532137344 LQBLSZPRJBAGHW-UHFFFAOYSA-N 298.773 3.726 30 20 CHED CC(C)Oc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 613365788 FLNVXKBIODLZSF-QGZVFWFLSA-N 288.391 3.532 30 20 CHED Cc1cc(C#N)ccc1CN(C)CCOc1ccc(F)cc1 614396039 QOQORBWJQIPNIW-UHFFFAOYSA-N 298.361 3.517 30 20 CHED CC1(C)Cc2cccc(NC(=O)C3(C#N)CCCCC3)c2O1 530448580 JXXSSYAFQRDCFK-UHFFFAOYSA-N 298.386 3.813 30 20 CHED C[C@@H](c1ccc(C(=O)NC2(C#N)CCC2)cc1)C(F)(F)F 455066896 XKPAHVUTEOCNDV-JTQLQIEISA-N 296.292 3.528 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2ccc(F)cc2F)CCCC1 535580056 OCEJYFMJQIPQOI-GFCCVEGCSA-N 293.357 3.857 30 20 CHED CC1(C)Cc2ccsc2CN1C(=O)c1cccc(C#N)c1 457328754 MDXALMBBTSILBQ-UHFFFAOYSA-N 296.395 3.597 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 367533639 NDDJWOODKXJETA-QILLFSRXSA-N 284.403 3.578 30 20 CHED CCOc1cccc([C@H](C)NCc2cccc(C#N)c2F)c1 537078968 YUEGISKWEKYWKH-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED N#Cc1nn(C[C@H]2CCCCC2(F)F)c2ccccc12 450893784 CYQAVQYSJHMZRE-LLVKDONJSA-N 275.302 3.733 30 20 CHED N#CCCCNCCCc1c(Cl)cccc1Cl 361023386 MFTMXGXTACIDPV-UHFFFAOYSA-N 271.191 3.819 30 20 CHED CC(C)(CC#N)CN[C@H]1CCC[C@@H]1Cc1ccccc1 459735695 UBARDVNWGFMOMS-SJORKVTESA-N 270.420 3.927 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 271432119 DWFOJVJLJKZGOR-UONOGXRCSA-N 289.423 3.832 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@H]1c1ccc(F)cc1 455365182 JXCIWNPDXWQBRV-HNNXBMFYSA-N 290.382 3.884 30 20 CHED C=C[C@@H](CC(=O)NCC1CCSCC1)c1ccccc1 270410436 HSOPBKPUUIQHML-HNNXBMFYSA-N 289.444 3.606 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1(C)C 273705813 NOTAJBWXYLTTJH-ZDUSSCGKSA-N 285.391 3.653 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 619450163 RGTXCMAPOYYLHQ-OLMNPRSZSA-N 296.414 3.878 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(C#N)cc1F 610280514 UXYHPJSKHNXBRM-SJORKVTESA-N 266.319 3.839 30 20 CHED C#CCCCCC(=O)N1CCCCC[C@@H]1c1cccn1C 271352393 GSHAHNNHPDEGJS-QGZVFWFLSA-N 286.419 3.662 30 20 CHED C=C[C@H](CC(=O)NCC1CC(C)(C)C1)c1ccccc1 548712181 FJWMNFPJFOQKNR-OAHLLOKOSA-N 271.404 3.899 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2ccccc2o1 274628953 OKPWAGVGGRQWBK-SGMGOOAPSA-N 254.333 3.776 30 20 CHED Cc1cccc([C@@H]2CCCCN2c2nccc(C#N)n2)c1C 450362426 RDTAGEOKIMOGQH-KRWDZBQOSA-N 292.386 3.697 30 20 CHED CC[C@H](CN1CCC(CC#N)CC1)c1ccccc1 541922629 JLDGQJFRMJQJKD-MRXNPFEDSA-N 256.393 3.806 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCCCC1(F)F 458909586 CBEIRPXNCSMXSG-CHWSQXEVSA-N 286.366 3.562 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cc(Cl)ccc1OC 453364885 QKODBWGJDKKJSA-ZNMIVQPWSA-N 295.810 3.733 30 20 CHED C=C(CNC(=O)c1ccc(F)c(F)c1F)c1ccccc1 360225472 JOUZYWTZYYAUMT-UHFFFAOYSA-N 291.272 3.547 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)C1 457002954 BJCKVOKGKXAKOD-HNNXBMFYSA-N 284.403 3.651 30 20 CHED C=CCN[C@@H](CCOC)c1cccc(C(F)(F)F)c1 451690157 LAYBQVTWEPTGCA-ZDUSSCGKSA-N 273.298 3.559 30 20 CHED C=CCn1c(S[C@H](C)CC(C)C)nnc1C1CC1 450650852 OJTGDTCSHNQEKL-LLVKDONJSA-N 265.426 3.868 30 20 CHED Cc1csc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c1Cl 276914544 QUDMKSUCKZXIQC-ZDUSSCGKSA-N 284.812 3.768 30 20 CHED C=CCOc1c(Cl)cc(CN[C@H](C)C=C)cc1OC 623445625 YPNWZVDHXMWXLA-LLVKDONJSA-N 281.783 3.578 30 20 CHED C=C1CCN(C(=O)[C@@H](C)CCCc2ccccc2)CC1 271792117 JGZIGXQXJZSLRS-INIZCTEOSA-N 271.404 3.824 30 20 CHED C[C@H](C(=O)NCC[C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 462086109 WDEYBIVRTGXRIK-OWCLPIDISA-N 298.430 3.994 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 467341924 QKUHXKNHELTDMV-FVQBIDKESA-N 261.409 3.840 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC=C(C)C1 460802778 CTOBUKXWAYVGBB-AWEZNQCLSA-N 274.412 3.524 30 20 CHED N#CCc1ccc(NC(=O)NC(C2CCC2)C2CCC2)cc1 287214115 XBBUQMOSWHDUCM-UHFFFAOYSA-N 297.402 3.843 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1N(C)CCC 627096503 AKMHADQDDBBFTQ-CYBMUJFWSA-N 275.396 3.619 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCC1CC(C)C1 621574642 APMNITJVULOQAG-UHFFFAOYSA-N 290.382 3.569 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCn2cc(C)nc21)c1ccco1 375840804 QGFZXYBMEPJCDL-HOTGVXAUSA-N 299.418 3.959 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@@H](CC(C)C)C1 465307892 PIUHKNFSIXKCHN-HNNXBMFYSA-N 287.403 3.760 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncc(C#N)cc1Cl 462110215 SULHBEAEQGGHSN-OSMZGAPFSA-N 275.783 3.764 30 20 CHED C#CCCCCNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 286931552 GXNMMENUAONOJT-DOTOQJQBSA-N 284.403 3.583 30 20 CHED C=CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F 461727591 GFAFZOIDEUUEPK-UHFFFAOYSA-N 260.215 3.520 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)s1 466777857 MRXLFQHWKFIDAY-WCQYABFASA-N 276.405 3.661 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2cc(Cl)ccc2C1 466389370 PTPHJSRTIPYHJL-OAHLLOKOSA-N 292.810 3.762 30 20 CHED C[C@H](CCNC(=O)c1cc(C#N)cs1)CC(C)(C)C 468075699 QOZPQKIIFXGGOY-LLVKDONJSA-N 278.421 3.812 30 20 CHED CN(Cc1cccc(Cl)c1Cl)c1ccnc(C#N)c1 552908247 OWGRRISZGMNFLR-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2[nH]ccc2c1 281228990 BYOZLWYOMNJHIX-LBPRGKRZSA-N 257.337 3.644 30 20 CHED C=CCC[C@@H](CC)NCC[C@H]1C[C@H](C)O[C@H](C)C1 555233993 IDMCBFGTGRYKFZ-QKPAOTATSA-N 253.430 3.915 30 20 CHED Cc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1Cl 551609204 GZNGGRLRXQTNRU-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CN(Cc1ccc(F)cc1C(F)(F)F)CC(C)(C)C#N 552085676 IKRLNUGYEUJNDM-UHFFFAOYSA-N 288.288 3.826 30 20 CHED C=CCCCCNC(=O)CCOc1ccccc1Cl 471684380 GASKABINMFJHEH-UHFFFAOYSA-N 281.783 3.581 30 20 CHED C=CCCCCNC(=O)N1CCCC12CCCCC2 474077285 FBAHDKVEYQTWOU-UHFFFAOYSA-N 264.413 3.851 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@H]1CCC(=O)[C@@H]1C 475906025 OKCDXRLGHBKRTJ-GDBMZVCRSA-N 291.435 3.587 30 20 CHED C#CC[C@H](OC(=O)c1ccc(Cl)c2ncccc12)C1CC1 802105455 XYQGTQVXYLNDFR-HNNXBMFYSA-N 299.757 3.847 30 20 CHED C=CCCCCCCNC(=O)NCc1cc(CC)ccn1 806004765 ULUKMZDUAWQRDF-UHFFFAOYSA-N 289.423 3.580 30 20 CHED C=CCCCCNC(=O)N1CCSC2(CCCCC2)C1 472844443 CGULLEZIFVXPSD-UHFFFAOYSA-N 296.480 3.804 30 20 CHED C=CCN(Cc1ncc(CC)s1)c1ccccc1 475127311 AYTVQXYFEQNFFW-UHFFFAOYSA-N 258.390 3.898 30 20 CHED C[C@@H](CN(C)c1nc(Cl)c(C#N)s1)c1ccccc1 804425624 SGAXOIYSXWAJAU-JTQLQIEISA-N 291.807 3.908 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(C)nc1 806359166 VANCHTUQTMJBEP-UHFFFAOYSA-N 261.369 3.648 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 560379100 SZKIVCHXPICHFM-CVEARBPZSA-N 299.418 3.596 30 20 CHED C=C[C@](C)(O)CC(=O)N(CC)Cc1ccc2ccccc2c1 290115222 KEMPNADRUNOAMN-IBGZPJMESA-N 297.398 3.515 30 20 CHED C[C@H](NCCc1ccc(F)cc1F)c1cccc(C#N)c1 566579225 MGMVIFYRBBZOAM-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C=C(C)COC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 804079558 LDFRZZJKKQJTRR-UHFFFAOYSA-N 299.374 3.623 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cccc2ccccc12 803781158 CZXXQKAZLNDAHO-QGZVFWFLSA-N 267.328 3.823 30 20 CHED C[C@H](NC(=O)c1cccc(C2CC2)c1)c1ccc(C#N)cc1 563352685 KWCQNLYBCVEGES-ZDUSSCGKSA-N 290.366 3.927 30 20 CHED N#CCSCCCOC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 805516644 KAWMGMSKSBOGKW-RBSFLKMASA-N 295.448 3.783 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC[C@H]1CC 567523322 WFPUZTDVOOKHJO-OAHLLOKOSA-N 282.391 3.510 30 20 CHED C=CCN(Cc1ncc(Cl)s1)c1ccccc1 475137501 KANMLNFUTWAZSM-UHFFFAOYSA-N 264.781 3.989 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(C(C)C)cc1 806102158 CZFOARWKGUXLIO-AWEZNQCLSA-N 258.365 3.733 30 20 CHED C[C@@H]1CC(CCNc2snc(Cl)c2C#N)C[C@@H](C)O1 801673648 CEOZLZBVIMQXIS-RKDXNWHRSA-N 299.827 3.674 30 20 CHED C=CCC(CC=C)c1nc([C@@H](CCC)OC)no1 296485145 PHIAFEIYNJPZMX-GFCCVEGCSA-N 250.342 3.793 30 20 CHED COc1cc(CN2CCCC(C)(C)[C@@H]2C#N)ccc1C 565284262 BNLMQGIAQGVVCA-INIZCTEOSA-N 272.392 3.518 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2ccc(F)cc21 562364291 KKDVINSTQFVNPV-GDBMZVCRSA-N 288.366 3.563 30 20 CHED C=CCCCCNc1ccc(C(=O)N2CCCC2)cc1C 562562955 WZEUSCVZBOXOJA-UHFFFAOYSA-N 286.419 3.999 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc(C)cc1Cl 474163127 DGLIYRJABXIXQE-UHFFFAOYSA-N 265.784 3.616 30 20 CHED CCc1cnccc1C(C)=NNc1ccc([N+](=O)[O-])cc1C 807990267 WRVKKRAGWOIXII-UHFFFAOYSA-N 298.346 3.697 30 20 CHED C[C@H](CCC1CC1)NC1CCN(c2ccc(C#N)cc2)CC1 560550974 YXKLPOQNEHTUMO-OAHLLOKOSA-N 297.446 3.695 30 20 CHED C=CCN(CCC#N)Cc1csc(Nc2ccccc2)n1 292185736 MSODHPHWRPRSHY-UHFFFAOYSA-N 298.415 3.788 30 20 CHED N#Cc1cc(N2CCC[C@@H]2c2cccc(Cl)c2)ccn1 561133545 BMGPTEFGFBVNJS-MRXNPFEDSA-N 283.762 3.948 30 20 CHED C=CCn1cccc1C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 488963278 VSRNRERECZQTHW-WBVHZDCISA-N 294.398 3.692 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCc1cccs1 488869576 LRHWSDWKXUCFGQ-ZDUSSCGKSA-N 263.406 3.638 30 20 CHED CCCCCCCCOC(=O)c1cn(C(C)C)cn1 811215955 GBKGVSHZFSVLPZ-UHFFFAOYSA-N 266.385 3.981 30 20 CHED CC(C)OC1CC(=NNc2ccc(Cl)cc2[N+](=O)[O-])C1 814809678 KBXBBVBKDSYZDE-UHFFFAOYSA-N 297.742 3.604 30 20 CHED CCOc1ccc(N(C)C(=O)Nc2ccc(C#N)cc2)cc1 811804526 RBNZAAXBRRNICK-UHFFFAOYSA-N 295.342 3.625 30 20 CHED CCC(=NNc1ncccc1C)c1ccc(F)cc1F 814911341 CGPNNKSKWLEYJX-UHFFFAOYSA-N 275.302 3.894 30 20 CHED CC(C)Oc1cccc(/C=C\c2ncccc2C#N)c1 486078788 VRCGAFDXZDLMFI-HJWRWDBZSA-N 264.328 3.911 30 20 CHED Cc1cc(C#N)ccc1Oc1nnc(-c2ccccn2)s1 576782253 JZTZSWYNCBAEMW-UHFFFAOYSA-N 294.339 3.573 30 20 CHED CC(C)COc1ccc(NCCC#N)cc1Cl 819402977 MCDCESBBKUXFHV-UHFFFAOYSA-N 252.745 3.700 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cnc(Cl)cc1C 814671070 PZNHAKZMMNQEJB-UHFFFAOYSA-N 281.787 3.767 30 20 CHED CC(=NOC1CCCCC1)c1cc(F)c(N)c(F)c1 814910235 RPIXLWRNTXHIEB-UHFFFAOYSA-N 268.307 3.620 30 20 CHED Cc1cccc2c(C(=O)N(C3CC3)C3(C#N)CCC3)coc12 572030617 DYUCYBDIBNDOCI-UHFFFAOYSA-N 294.354 3.792 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(F)cc1Cl 815309895 BLHWIENYQMKLLW-UHFFFAOYSA-N 278.657 3.734 30 20 CHED CC(=NNc1cccc(C)c1)c1csc(C(=O)O)c1 814687848 WCPWQNSKFCZWIA-UHFFFAOYSA-N 274.345 3.591 30 20 CHED C(=NOC1CCC1)c1ccccc1OCc1ccncc1 812234883 AFFNQNUJNOJPNU-UHFFFAOYSA-N 282.343 3.564 30 20 CHED C=C(C)COCCNC(=O)c1cc2cccc(C)c2s1 576664176 AZCRYLAAVGEBDM-UHFFFAOYSA-N 289.400 3.532 30 20 CHED C=C(C)CNC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 490045259 UFJMALLJUSDIHV-AWEZNQCLSA-N 275.392 3.578 30 20 CHED Cc1cc(CNc2cccc(C#Cc3ccccc3)c2)on1 577993784 QYKLRYPBZAGODM-UHFFFAOYSA-N 288.350 3.995 30 20 CHED N#CCc1ccccc1CC(=O)Oc1cccc(C2CC2)c1 822160024 IUSSKRTXDZGBMI-UHFFFAOYSA-N 291.350 3.778 30 20 CHED CC(C)(C)Oc1ccc(NCc2cncs2)cc1C#N 824721724 IIZMHVRNOXBDIC-UHFFFAOYSA-N 287.388 3.804 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 574034832 VSPJGCIENHHFLM-QWRGUYRKSA-N 288.416 3.873 30 20 CHED C#Cc1cnc(N2CCCC[C@@H]2c2cccc(C)c2C)nc1 827702665 TXPOVYNLLRUEAE-GOSISDBHSA-N 291.398 3.806 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2cccc(Cl)c2)cn1 728938415 ZKFIFOBXWXBBMJ-NSHDSACASA-N 285.730 3.634 30 20 CHED CCOc1cc(NC2CCC(C)(C#N)CC2)ccc1OC 823501693 QZWLVAWUOVSVPQ-UHFFFAOYSA-N 288.391 3.978 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC3)C1 665193202 QLAXPHXOYDDANG-AWEZNQCLSA-N 284.403 3.995 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N(C)CC(C)(C)C#N 497340531 RPVKGAJWASSJEF-AWEZNQCLSA-N 290.432 3.565 30 20 CHED C=CCCNC(=O)N1CC[C@@H](c2ccccc2)C1(C)C 665941110 TYEBDCQONCAIPI-HNNXBMFYSA-N 272.392 3.540 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(Cl)cn1 664470810 IBLQYJOPRQLOPS-UHFFFAOYSA-N 267.760 3.601 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2cn(C(C)C)nn2)c1 901523279 FCCZCVBWUARMTD-HJWRWDBZSA-N 299.374 3.544 30 20 CHED C=CC[C@H]1CCCN(Cc2scnc2C2CC2)C1 668494361 YAMWOWYTOMXBGS-LBPRGKRZSA-N 262.422 3.809 30 20 CHED COc1cc(C(=O)/C=C/c2csc3ccccc23)on1 821023168 YNFSDQHTVNNWQL-VOTSOKGWSA-N 285.324 3.794 30 20 CHED CCC(CC)c1noc(Cc2c(F)cccc2C#N)n1 589128049 ZFDCSWAIDMDYNM-UHFFFAOYSA-N 273.311 3.575 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCC1)c1ccc(OC(F)F)cc1 737339514 PWHAGBIIDPTJAV-SNVBAGLBSA-N 295.285 3.586 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)Cc2cc(F)ccc21 734305004 DMYQPGQGNAVKFC-WZUFQYTHSA-N 274.241 3.926 30 20 CHED C=C1CCC(C(=O)NC(C)(C)C(=O)c2ccccc2)CC1 908336865 YDLNLXMOTUBHHD-UHFFFAOYSA-N 285.387 3.511 30 20 CHED COc1ccc(CCNN=Cc2ccc(Cl)cc2)cc1 737439994 RJWBBWDTQISJEC-UHFFFAOYSA-N 288.778 3.515 30 20 CHED Cc1ccsc1/C=C\C(=O)c1c(C#N)c2n(c1C)CCC2 731937538 IVQBIVRVRPOSSG-WAYWQWQTSA-N 296.395 3.880 30 20 CHED C#C[C@@H](NC(=O)/C=C(/C)CC)c1ccc(Cl)cc1F 832374275 LKXQVZJMJYUFBF-QQBNSCQMSA-N 279.742 3.626 30 20 CHED N#CCOc1ccc(COc2ccc(Cl)cc2F)cc1 731156299 NRTLYRCRTQYMNO-UHFFFAOYSA-N 291.709 3.960 30 20 CHED CC(C)(C)C(=O)c1ccc(NCc2cc(C#N)ccn2)cc1 901392643 SNYDOHSZWJEXQF-UHFFFAOYSA-N 293.370 3.794 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NNc1ccccn1 735970440 GCHXNIYJZGBFRR-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CCc1ccc(/C=C2/COc3ccccc3C2=O)s1 731155780 SUCGQBHIYAFDNR-LUAWRHEFSA-N 270.353 3.969 30 20 CHED CCc1ccc(C(=O)OCc2ccc(OCC#N)cc2)cc1 733392194 UTTGPBFUTRPADF-UHFFFAOYSA-N 295.338 3.508 30 20 CHED C=CCCC[C@H](C)OC(=O)c1cccc(NC(=O)O)c1 833373928 JNXVAVCETCVMLR-NSHDSACASA-N 277.320 3.678 30 20 CHED C=C(Cl)CN(C)CCCOc1ccc(Cl)cc1 917084458 KAHNIEFSCSOFNZ-UHFFFAOYSA-N 274.191 3.793 30 20 CHED C=CC(C)(C)COC(=O)C[C@]1(C)CC1(Cl)Cl 835722102 NOBAKUYUTMHWSN-LLVKDONJSA-N 265.180 3.716 30 20 CHED CC(C)CC(CC(C)C)C(=O)O[C@@H](C#N)C1CC1 835196462 ZAKGZQVXEJNVQV-AWEZNQCLSA-N 251.370 3.540 30 20 CHED C/C=C/C=C\C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 916828741 SPXJTGIFQGNFFN-TYGHSQKFSA-N 286.400 3.815 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C(\C)CC 831458458 PAFSGAUMGRIDPF-RVDMUPIBSA-N 257.377 3.948 30 20 CHED Cc1cnc(C=NNc2ccc(C(C)(C)C)cc2)o1 834972506 CMJANDQCHJHFDT-UHFFFAOYSA-N 257.337 3.727 30 20 CHED C#Cc1cccc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)c1 834903991 UQDQLFWANSVLDV-BLLLJJGKSA-N 295.357 3.851 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H](COc2ccccc2)C1 595433360 YYEDXNBOTWZXMC-QFBILLFUSA-N 292.382 3.652 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@H]1CCCc1ccccc1 593538241 NEVSRDKHMHWQAQ-IRXDYDNUSA-N 284.403 3.550 30 20 CHED CC(=NOCc1cccnc1)c1cc(C)c(C)cc1C 746588465 NVUVYCUFMNVUFD-UHFFFAOYSA-N 268.360 3.948 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 595616106 PNGASGMPQNBUHO-ZDUSSCGKSA-N 254.333 3.558 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](c1ccccc1)C(C)(C)C 845638827 NEIFGCBBJZQRDA-OCCSQVGLSA-N 276.380 3.579 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC 595038087 GJCQNDQYGNNYFT-VXGBXAGGSA-N 278.352 3.609 30 20 CHED C=C[C@@H](C)ON=C(CC)Cc1ccc(OC)c(OC)c1 844622014 RYZDTJVVBUSKBP-GFCCVEGCSA-N 277.364 3.603 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1[C@H](C)CCC[C@H]1C 593957872 CYMFIPIFLVXTPK-RBSFLKMASA-N 298.430 3.678 30 20 CHED C=C(C)CONC(=O)c1ccc(Cl)c(C(F)(F)F)c1 846536686 WSFGRIDPOZNAHM-UHFFFAOYSA-N 293.672 3.596 30 20 CHED Cc1nnsc1CON=Cc1ccc(C(C)(C)C)cc1 844235569 OQAPDWYJIXIBBY-UHFFFAOYSA-N 289.404 3.695 30 20 CHED C=CCOCC(=O)N(C)c1ccccc1-c1ccccc1 591669216 IEMZMQSCJGKHHX-UHFFFAOYSA-N 281.355 3.519 30 20 CHED C=C(C)CCNC(=S)N[C@H](CC)c1cccs1 840793285 SBTUXPOMLFIBKJ-LLVKDONJSA-N 268.451 3.630 30 20 CHED C=C(C)CN1CCc2[nH]c3ccc(Cl)cc3c2C1 591383432 HALZEWJRVFVGEY-UHFFFAOYSA-N 260.768 3.756 30 20 CHED CCOc1ccc(/C=N/[C@@H](CC)c2ccncc2)c(O)c1 741466450 RNHNKHCVQRQMEK-QUYZQLMHSA-N 284.359 3.756 30 20 CHED C#CCCCC(=O)OCc1ccc(CN2CCCCC2)cc1 840493834 PTIDIUHONNXLJO-UHFFFAOYSA-N 299.414 3.519 30 20 CHED CCc1cnc(CON=Cc2ccc(C(C)C)cc2)o1 742351286 TWCXKFHKWFCORR-UHFFFAOYSA-N 272.348 3.911 30 20 CHED C[C@@H](C#N)C(=O)Oc1ccc2oc3ccccc3c2c1 746106302 XZVZWVPZOKLNJN-JTQLQIEISA-N 265.268 3.651 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc3occc3c2)C1 595072100 FHEBSKFLPOEGIQ-SWLSCSKDSA-N 254.333 3.605 30 20 CHED CC[C@H](CCc1ccccc1)NCC1(CC#N)CC1 599045596 ILNXSPHPADPNDR-MRXNPFEDSA-N 256.393 3.681 30 20 CHED CC(C)c1ccc(OC(=O)c2ccc(C#N)s2)cc1 749313171 BIIHXUTUABWDIM-UHFFFAOYSA-N 271.341 3.962 30 20 CHED C=CCN(C(=O)[C@@H](CC)c1ccc(F)cc1)C(C)C 841045246 QLDZUZYOEAQJGL-HNNXBMFYSA-N 263.356 3.742 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(N)cc1 915051923 ZMTNXRXXRIDKJW-UHFFFAOYSA-N 253.349 3.667 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 592754223 DZDFSZGBQODTJR-RHSMWYFYSA-N 270.376 3.536 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2c(F)cccc2Cl)C1 596826936 FKVBDRQTHDJNHF-SNVBAGLBSA-N 295.745 3.637 30 20 CHED CCCCCCCCC(=O)OCC(=O)N1CCCC[C@@H]1C 919222285 UUJOOTYSLGRAAU-HNNXBMFYSA-N 297.439 3.681 30 20 CHED CCO[C@H](CC)c1noc(/C=C/c2ccc(C#N)cc2)n1 596616124 UUNIRPUNCHZHAI-ATWMFIQVSA-N 283.331 3.599 30 20 CHED C(=NNc1cnc2ccccc2n1)c1nccc2ccccc12 740761922 QXLVAVMKDDWDSP-UHFFFAOYSA-N 299.337 3.624 30 20 CHED CCCCC/C(C=NN[C@@H](C)CO)=C\c1ccccc1 749821518 POAAMCVYHKDGCY-BJLSKECGSA-N 274.408 3.607 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1coc(C(C)C)n1 844552915 NWUMGZAKWQUFPH-XQRVVYSFSA-N 289.306 3.842 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc(-n3ccnc3)cc2)c1 920375420 YUWVCGLOYDCEGJ-UHFFFAOYSA-N 298.296 3.597 30 20 CHED C=CCC1(NC(=O)N[C@@H](c2ccccn2)C2CC2)CCCC1 925570464 APJKNKMKLDXCNV-MRXNPFEDSA-N 299.418 3.721 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)OCc2cc(C#N)ccc2F)C1 750243052 SDGAXTCEONWPLH-OLZOCXBDSA-N 289.350 3.957 30 20 CHED CC(=O)Nc1ccsc1C=NNc1cc(C)ccc1F 759666720 OBLRIPDCUVALKV-UHFFFAOYSA-N 291.351 3.600 30 20 CHED COc1cc(F)cc(NN=C(C)c2cc(F)cc(F)c2)c1 759213051 USPNHDQZHGEANE-UHFFFAOYSA-N 294.276 3.949 30 20 CHED COc1cccc(O)c1/C=N\CCc1ccc(C)cc1C 920863980 GGUSFEUMEFKMCC-UNOMPAQXSA-N 283.371 3.679 30 20 CHED Fc1ccc(/C=C/C=Nn2cnc3ccccc32)c(F)c1 758100572 STMZMAAZGODBSR-PQXRUWMISA-N 283.281 3.862 30 20 CHED CCC#C[C@H](C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 680380275 RXAPEFZBANVLHE-UONOGXRCSA-N 299.393 3.772 30 20 CHED CC(=NNc1ccc(Br)c(C)c1)c1ccc[nH]1 920478946 GYSQKIYYLCUWTN-UHFFFAOYSA-N 292.180 3.922 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1ccc(C)cc1F 853783150 HRRVZKZICSBULP-JTQLQIEISA-N 287.787 3.947 30 20 CHED Cc1ccc(C#N)nc1NCc1cccc(OC(C)C)c1 853190296 JCLHKOLKZPXDSV-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 754520222 NKJIBLGMFKANNL-DOTOQJQBSA-N 284.403 3.575 30 20 CHED c1ccc(C[C@@H]2CCCC2=NO[C@H]2CCCCO2)cc1 755820935 NOIDINDUDPUFLM-RDJZCZTQSA-N 273.376 3.928 30 20 CHED CCCCCCCCOCC(=O)N1CC[C@@H](C)[C@@H]1C 752391902 WQMBTJIQYUVIGK-CABCVRRESA-N 269.429 3.620 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N(C2CC2)[C@@H](C)C#N)cc1C 855584672 VBHBATMGCKCTER-PXTSUWAFSA-N 282.387 3.528 30 20 CHED C=C[C@@H](OC(=O)C[C@@H]1CSCCS1)c1ccccc1 851451217 FTIAZLHVKHLEFC-ZIAGYGMSSA-N 294.441 3.696 30 20 CHED C=C[C@H](OC(=O)[C@H](C)OCC(C)C)c1ccccc1 851453479 RHWARSJLDDBRFO-ZFWWWQNUSA-N 262.349 3.518 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc(-c2ccccc2)[nH]n1 851212891 MDDZQTCQVJCZRX-LBPRGKRZSA-N 297.358 3.562 30 20 CHED C=CC[C@@H](NC(=O)c1ccccc1SC)c1ccncc1 750191909 MPRTYVSKQCSYEP-OAHLLOKOSA-N 298.411 3.851 30 20 CHED CC1(C)CCC[C@H](C=Nn2c(S)nnc2C(C)(C)C)C1 752721816 GYOVPWOOERDXHR-NSHDSACASA-N 294.468 3.915 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@@](C)(CC)C1)c1ccccc1 757059631 TYRGEQZCPYLNFU-FUHWJXTLSA-N 284.403 3.583 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1ccc(C)s1 931810702 NDZDSHCALBZRRE-LBPRGKRZSA-N 251.395 3.617 30 20 CHED Cc1cc(CN(CCC#N)CC(C)C)cc2cccnc12 753536635 ICWRAJPLPNELMZ-UHFFFAOYSA-N 281.403 3.915 30 20 CHED C[C@@H](C=NO[C@@H]1CCCCO1)c1cccc(Cl)c1 763370232 MQWWWKRGOWWNPB-SMDDNHRTSA-N 267.756 3.973 30 20 CHED Cc1cc(/C=C2/CCc3c(O)cccc3C2=O)ccc1C#N 766492408 XMIWPJMAAOFZOG-UVTDQMKNSA-N 289.334 3.785 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1nc(-c2ccncc2)no1 769576206 UYYUEDCIZKFMAZ-NEPJUHHUSA-N 299.378 3.746 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](c1ccccc1)C(C)C 761411272 HFVYXJULUNJFGI-MRXNPFEDSA-N 274.360 3.505 30 20 CHED C#CCCCSc1nc2ccccc2n1C(F)F 766288358 ROSNMYNSCLYTAZ-UHFFFAOYSA-N 266.316 3.937 30 20 CHED CCC1(CC)CCN(C(=O)c2cc(C#N)ccc2C)C1 934474649 QEWCKDYJCPACPH-UHFFFAOYSA-N 270.376 3.519 30 20 CHED C#CCN[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 764597985 ABFLZVCOINGUDT-CYBMUJFWSA-N 269.319 3.902 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OCCCC)c(OC)c1 766233776 NHTKJCRZSWNZND-HNNXBMFYSA-N 289.419 3.938 30 20 CHED Cc1cc(OC(=O)C[C@H](C)c2ccccc2)ccc1C#N 765112847 JKTLKWWDLBKLKE-AWEZNQCLSA-N 279.339 3.966 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(Cl)cc1C)c1ccccn1 766344605 BDDIFXZXKBPHIF-MRXNPFEDSA-N 299.757 3.965 30 20 CHED C=C1CCN(C(=O)Nc2cc(-c3ncco3)ccc2C)CC1 930566675 DTWFVZGDBFJCFW-UHFFFAOYSA-N 297.358 3.834 30 20 CHED Fc1cc(F)c(C=NNc2ccccc2F)cc1F 767767359 KGLLAWSGIWDKIO-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C#CCCCCCc1nc([C@@H](C)c2cccc(OC)c2)no1 761825245 RWORUTUNQYCCHV-AWEZNQCLSA-N 298.386 3.966 30 20 CHED CON=Cc1ccc(OCc2ccc(C)cc2)cc1 767492609 ULXQGERCRUCHJH-UHFFFAOYSA-N 255.317 3.554 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(Oc2ccccc2)cc1 767229302 ISDINVLYTZBTIA-AWEZNQCLSA-N 279.339 3.573 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OCC#N)cc1 1116894761 QBXFWJUTLMEPEY-XJKSGUPXSA-N 286.375 3.744 30 20 CHED C=C(C)CNC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 879550750 IAWRWHZAGMABSF-UHFFFAOYSA-N 285.309 3.675 30 20 CHED Cc1cccc(CCCOC(=O)Cc2ccc(C#N)cc2)c1 778114704 SXOQNLPWMJUEJX-UHFFFAOYSA-N 293.366 3.585 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(F)(F)c1ccccc1 775924068 GRWGBCKYUZGWQP-GFCCVEGCSA-N 267.319 3.639 30 20 CHED CCCCCCCC(=O)O[C@H]([C@@H]1CCOC1)C(F)(F)F 778024664 NWLGYEIJSAMYOG-DGCLKSJQSA-N 296.329 3.858 30 20 CHED C[C@@H](CCC#N)CNc1ccc(OC(F)F)cc1F 877503200 FVXVSFQOAVIULS-VIFPVBQESA-N 272.270 3.779 30 20 CHED C=CCN(CC1CCCCC1)C(=O)COC1(C)CCC1 773061065 YMRRZQRMSNAGCN-UHFFFAOYSA-N 279.424 3.541 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cscc2Cl)c1 771872298 SSNNJBQUKDNHHN-UHFFFAOYSA-N 281.724 3.756 30 20 CHED CCN(C(=O)c1cc(C)co1)[C@@H](C)c1ccc(C#N)cc1 878965548 PNCGJJXCQGWDJE-ZDUSSCGKSA-N 282.343 3.683 30 20 CHED COc1cc(C)ccc1C(C)=NOCCC(F)(F)F 777462377 AIQNPBUXRSIJLO-UHFFFAOYSA-N 275.270 3.697 30 20 CHED C#C[C@H](N[C@@H](C)c1ccccc1SCC)[C@@H]1CCCO1 775571684 JFODEWQSKYQVGY-BPUTZDHNSA-N 289.444 3.630 30 20 CHED C#C[C@H](NC(=O)c1ccc2cc(OC)ccc2c1)C(C)(C)C 1117476659 CGZNZABQYCLJSA-KRWDZBQOSA-N 295.382 3.626 30 20 CHED C#CCCCCCC(=O)NCCCc1ccc(Cl)cc1 779890924 QZVSZLIJICBQHQ-UHFFFAOYSA-N 291.822 3.973 30 20 CHED CCC(CC)NN=C(C)[C@@H]1CCN(Cc2ccccc2)C1 779772873 TVHVBWLYZBLGMU-QGZVFWFLSA-N 287.451 3.663 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cnccc1C 771552470 HQCAAILAJQRXTQ-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CC(C)CSCCCOC(=O)c1cccc(F)c1C#N 778374462 RZZSVMIQNMWZOQ-UHFFFAOYSA-N 295.379 3.633 30 20 CHED C#CCCCCCC(=O)NCc1ccc(Cl)s1 779833676 JBDVZWBMPCRSEF-UHFFFAOYSA-N 269.797 3.601 30 20 CHED C/C(=C/C(=O)N[C@@]1(C#N)CCc2ccccc2C1)C(C)(C)C 770111309 GAPGKGMRFHHITN-RNUYOQPASA-N 296.414 3.546 30 20 CHED COc1ccccc1C=NN[C@H]1CCCCC1(C)C 773123806 GRUSRGSDPIUPPA-HNNXBMFYSA-N 260.381 3.588 30 20 CHED Cc1ccc(-c2cncc(C(=O)OCC3(C#N)CC3)c2)cc1 775865873 LMELPYYHZUAVHG-UHFFFAOYSA-N 292.338 3.518 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC[C@@H](C)C2)n1 776528226 NEXCNPMAKYUWEM-GRYCIOLGSA-N 276.405 3.879 30 20 CHED O=C1C/C(=C/c2cccc(F)c2F)C(=O)c2ccccc2N1 774139441 CMLPFDIEAIWKER-FLIBITNWSA-N 299.276 3.573 30 20 CHED C[C@@H](CCc1ccccc1F)C(=O)OCCC(C)(C)C#N 776391066 JWCZOENTSGPTKK-ZDUSSCGKSA-N 291.366 3.877 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1cc(O)cc(O)c1 782348878 VGDAPRMZROPENP-RQOWECAXSA-N 291.306 3.542 30 20 CHED C=CCSCCN[C@@H](c1ccccc1)C1CCOCC1 782763729 GPXNRVXWYXOIJM-KRWDZBQOSA-N 291.460 3.663 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(SC(F)F)nc1 785597140 GMPFFCAKFFMHIP-CYBMUJFWSA-N 286.347 3.937 30 20 CHED C#Cc1cc(F)c(NCc2cc(C#N)ccc2F)c(F)c1 787909318 CKEYEPILIOJFRB-UHFFFAOYSA-N 286.256 3.569 30 20 CHED C[C@@H](CC(=O)O[C@H](C)CC#N)c1c[nH]c2ccccc12 786418056 XSTNONLTDWEXHF-NWDGAFQWSA-N 270.332 3.507 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cc2nc(C)no2)cc1 885612243 TZRZGDYMMZIXLX-KRWDZBQOSA-N 299.374 3.510 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccc(Cl)cn1 781716797 BNGZSSVTABLPRD-MRVPVSSYSA-N 292.747 3.586 30 20 CHED C#CCC1(C(=O)NCc2ccccc2OCC)CCCCC1 788174661 JLIHTRKPTGQTID-UHFFFAOYSA-N 299.414 3.675 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cccc2c3c([nH]c12)CCCC3 787087571 VDIPPURIOKOXSM-LBPRGKRZSA-N 296.370 3.896 30 20 CHED N#Cc1cc(F)ccc1N1CCSC2(CCCCC2)C1 301524187 HAWNQJKIHSWCIS-UHFFFAOYSA-N 290.407 3.953 30 20 CHED N#CC1(COC(=O)[C@@H]2C[C@@]23CCc2ccccc23)CCCC1 780530469 ZWWVPALCQHXMCX-QFBILLFUSA-N 295.382 3.518 30 20 CHED C(=NOCc1ccccc1)c1cnc(-c2ccco2)s1 782188191 URHYJXDQSNQWRI-UHFFFAOYSA-N 284.340 3.954 30 20 CHED Brc1ccsc1C=NNC1CCCCC1 786043075 GZHOZQADXXRJAT-UHFFFAOYSA-N 287.226 3.767 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(Cl)c1F 410122304 BTVSAGDOBCTKJZ-SECBINFHSA-N 255.720 3.564 30 20 CHED C=CCCCCCOC(=O)c1ccc(F)cc1[N+](=O)[O-] 784122058 JDLNTYCXTUHCJD-UHFFFAOYSA-N 281.283 3.637 30 20 CHED FC(F)(F)[C@H]1CCCC(=NN=c2cc[nH]cc2Cl)C1 783520983 LGVZGNCTGCUFIK-QMMMGPOBSA-N 291.704 3.677 30 20 CHED CC(C)(C)CC(=NNc1nccnc1Cl)C1CC1 787158593 VXZWWGBTUHEPMI-UHFFFAOYSA-N 266.776 3.744 30 20 CHED CCCCCCCNCc1ncc(Br)s1 389984286 LECMNOPTZSNXAR-UHFFFAOYSA-N 291.258 3.966 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CC)CCCCC 798041126 XVOFBGYGDAGTCT-XHSDSOJGSA-N 281.440 3.690 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)c1ccsc1 89949486 ARKPRDUZMWCSJS-LBPRGKRZSA-N 278.421 3.830 30 20 CHED C=CCCCCC[C@@H](C)NCC1(N(C)C)CCC1 793556938 JAODCRUNHGNWOA-OAHLLOKOSA-N 252.446 3.585 30 20 CHED COc1ccccc1CON=C(C)c1ccc2c(c1)COC2 799116577 AMCBRIKNKQCIMI-UHFFFAOYSA-N 297.354 3.666 30 20 CHED O=C1/C(=C/c2c(F)ccc(O)c2F)CCc2ccccc21 794927505 RODYKDRIDFZZQU-PKNBQFBNSA-N 286.277 3.883 30 20 CHED C=C1CN(C(=O)C(C)(C)c2ccc3ccccc3c2)C1 898699444 KZJAXDCCLWRSNT-UHFFFAOYSA-N 265.356 3.516 30 20 CHED CC(C)n1nccc1/C=C1\Cc2c(F)cc(F)cc2C1=O 794944435 BJVYUSHPAOBVSY-BJMVGYQFSA-N 288.297 3.565 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1cccc(C)c1)c1ccco1 796835069 KAYBBXRODONQTG-DLBZAZTESA-N 285.387 3.919 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2cccc3c2CCO3)cc1 793326273 QLQZFQOGEBGUGA-CYBMUJFWSA-N 294.354 3.524 30 20 CHED Fc1cccc(F)c1NN=Cc1nccn1-c1ccccc1 790164068 KQYIWPWYJVRMEG-UHFFFAOYSA-N 298.296 3.597 30 20 CHED COc1cccc(C=NNc2cccc(C(F)(F)F)c2)n1 790141298 CUHFPQRDUQXRBP-UHFFFAOYSA-N 295.264 3.555 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)C[C@H](CC#N)c2ccccc2)C1 796817746 BKFNSEHTFDKFDG-VNQPRFMTSA-N 271.360 3.806 30 20 CHED c1nc(NN=C2CCC23CCC3)c2c3c(sc2n1)CCC3 799867868 PKCIPAPMEJFEQT-UHFFFAOYSA-N 298.415 3.912 30 20 CHED C[C@@H]1CC(NC(=O)Nc2ccc(C#N)c(F)c2)C[C@@H](C)C1 1205986176 CAHJIJFNGGXOCS-QWRGUYRKSA-N 289.354 3.644 30 20 CHED COc1ccc(Cl)cc1C=NN[C@@H](C)C(C)(C)C 793112940 YGDOHCSCERBPRN-JTQLQIEISA-N 268.788 3.707 30 20 CHED Cn1nccc1[C@@H]1CCCC(=NOCc2ccccc2)C1 790291092 SJNWTWSEFQIHQT-OAHLLOKOSA-N 283.375 3.651 30 20 CHED CCc1sc(C(=O)Nc2cc(F)cc(C#N)c2)cc1C 720230956 PLRLANIGLGLBPN-UHFFFAOYSA-N 288.347 3.882 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1c(O)cccc1OC 793227185 PFFYPALJOVUUEI-UHFFFAOYSA-N 297.398 3.979 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccc(F)c(Cl)c1 1307633233 XSMUCPCXZRSMIZ-UHFFFAOYSA-N 274.726 3.987 30 20 CHED COC(=O)[C@@H](Sc1ccc(Cl)cc1C#N)C(C)(C)C 1165754147 FCQRSQYTZVRSII-GFCCVEGCSA-N 297.807 3.891 30 20 CHED CCCC(=NNc1nncc(N)c1Cl)C1CCCCC1 1319279202 XMGIJYVPFOHFAQ-UHFFFAOYSA-N 295.818 3.861 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc(C2CC2)cc1 1319758929 UOEAZEMUHBENOA-UHFFFAOYSA-N 275.351 3.944 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCC(C)(C)CC#N 1325573342 GPULLHSZWQXRIS-STQMWFEESA-N 272.392 3.778 30 20 CHED CC(Cc1ccccc1Cl)=NN[C@H]1CCOC(C)(C)C1 1320514381 UQMUYTBTUQYZSN-AWEZNQCLSA-N 294.826 3.806 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(-c2ccccc2)s1 1322490200 BUALDDFPOPKZGU-NSHDSACASA-N 257.358 3.719 30 20 CHED COc1cc(/C=C2\Oc3cc(F)ccc3C2=O)ccc1F 1339251243 PEZMHSRCRMEYKS-CHHVJCJISA-N 288.249 3.590 30 20 CHED Cc1cc(CN2Cc3cc(F)c(F)cc3C2)ccc1C#N 1182595792 WGEAWEDZHMTYMJ-UHFFFAOYSA-N 284.309 3.661 30 20 CHED COc1cc(/C=C2/CCCC(C)(C)C2=O)ccc1F 1253611501 GTAUEYRDBKMOMP-XFXZXTDPSA-N 262.324 3.997 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccoc1Cl 1262809809 PZWSLHGNIIUCHG-SNVBAGLBSA-N 253.729 3.504 30 20 CHED CC#CCCCc1nnc(-c2ccccc2Cl)o1 1349954823 DLSASKJVWKWLCF-UHFFFAOYSA-N 260.724 3.736 30 20 CHED N#Cc1ccccc1OCc1nnc(C(F)=C2CCCC2)o1 1346600718 HKLWVGNCXWQYQF-UHFFFAOYSA-N 299.305 3.775 30 20 CHED Cc1nc(C(C)C)oc1C(=O)O[C@H](CC#N)c1ccco1 1347949576 YYSIJKCAYFODFJ-GFCCVEGCSA-N 288.303 3.511 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCc3ccc(F)cc32)c(F)c1 1265623334 UWAMTUNUJAJZCX-INIZCTEOSA-N 299.276 3.681 30 20 CHED C=C(CC)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 1346611528 JGJUVFKCFKZXFF-MRVPVSSYSA-N 292.326 3.695 30 20 CHED CCC[C@H]1CCCCN1Cc1cc(C#N)ccc1OC 213529196 LZSKJALAQKYRPB-INIZCTEOSA-N 272.392 3.721 30 20 CHED CCC(CC)[C@H](C)C(=O)O[C@@H](CC#N)c1ccco1 1345546987 IMLBIHKLEWRPOG-FZMZJTMJSA-N 263.337 3.850 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc2ncn(C(C)C)c2c1 1350325098 AFDYXHDXOQEGSL-UHFFFAOYSA-N 299.418 3.836 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@H]2CCCC[C@H]21 1355049759 KWSUEJIGWMYPSS-UKRRQHHQSA-N 287.428 3.979 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(C#N)cc1 1275981635 BIZYTHRBDCBDBR-ZWKOTPCHSA-N 298.430 3.823 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@H](Cc2ccc(F)cc2)C1 1459513541 UUEHYXRYASEPGA-APWZRJJASA-N 294.373 3.955 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2cc(C#N)ccc2F)c1 1456140586 WICYFTZETQWICM-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED CC1(C)CCC(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CC1 1535479011 KAZIDNVOFBLSFB-OCCSQVGLSA-N 263.381 3.828 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CCC[C@@H](C)[C@H]1C 1535810122 MXHABKFRMLWIEM-JHJVBQTASA-N 251.370 3.684 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(C#N)cc1 1530566529 YNNQEZOQGZWDAA-UHFFFAOYSA-N 279.343 3.637 30 20 CHED CC(C)(C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)[nH]2)cc1 1603534120 IUWRUQKSESFKNL-LUAWRHEFSA-N 297.354 3.907 30 20 CHED C[C@H]1[C@@H](C)Sc2ccccc2N1Cc1cc(C#N)ccn1 1473243944 MIKGBXZWVWINTH-QWHCGFSZSA-N 295.411 3.843 30 20 CHED N#CC[C@@H](C(=O)NCC1CCCCCC1)c1ccccc1 1544922074 ZIRZIIHALZPACA-QGZVFWFLSA-N 284.403 3.770 30 20 CHED N#Cc1ccnc(CN2CCC[C@@H](C3CCCCC3)C2)c1 1560024671 PSSXXODNTGUYKH-QGZVFWFLSA-N 283.419 3.746 30 20 CHED N#CC1(CSc2ccc3c(c2)CCO3)CCCC1 1641199136 ZXAQVRDSSWNLJN-UHFFFAOYSA-N 259.374 3.798 30 20 CHED N#CC1(CCN2CCC[C@H](C3CC3)C2)CCCCC1 1645978671 MRAKGIJWSHSQAE-INIZCTEOSA-N 260.425 3.973 30 20 CHED Cc1cccc(CN(C)C(=O)c2ccc(C#N)cc2F)c1C 1588281832 VOUPQWKAYSTSCB-UHFFFAOYSA-N 296.345 3.586 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CCCC[C@H](C)C1 1740810604 XHTCNAUOTBPTGZ-NSHDSACASA-N 294.830 3.534 30 20 CHED C=CC[C@@H](C)Sc1ccc(Cl)cc1-c1nn[nH]n1 1588539754 YECPRAYVUVBBCF-MRVPVSSYSA-N 280.784 3.577 30 20 CHED C=Cc1ccccc1NC(=O)N(CCC#N)Cc1ccco1 1672436156 LLZKWLGPTMJVCA-UHFFFAOYSA-N 295.342 3.870 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1ccc(O)c(C)c1 1776086570 BQDZKWUKPZPVIQ-UHFFFAOYSA-N 298.342 3.543 30 20 CHED Cc1ccc(CNc2ncccc2OCCCC#N)s1 162234282 YKEJOOUQEYGCSV-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=CCCC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 162706530 QBEOJODWYHPQOZ-SJLPKXTDSA-N 269.388 3.881 30 20 CHED N#CC1(C(=O)Nc2cc(F)cc(Cl)c2)CCCC1 158340654 XDYNYUJGYDZZRD-UHFFFAOYSA-N 266.703 3.502 30 20 CHED CCCCOc1ccc(NC(=O)c2ccc(C#N)[nH]2)c(C)c1 160391204 HIBKBNZFTRQORW-UHFFFAOYSA-N 297.358 3.626 30 20 CHED Cc1ncccc1NCc1cccc(OCCCC#N)c1 163358966 QFFRTRMGRFMHJB-UHFFFAOYSA-N 281.359 3.685 30 20 CHED CC1(C)Cc2occc2[C@@H](NCc2cccc(C#N)c2)C1 151376830 JBGGNUIMFZDOIK-INIZCTEOSA-N 280.371 3.955 30 20 CHED CCc1c(C)sc(NC(=O)CCCCSC)c1C#N 151468534 CKQVAARWOFAVPI-UHFFFAOYSA-N 296.461 3.962 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C1=CCCCCC1 153839222 JKEKKPZJAAJVMN-UHFFFAOYSA-N 285.362 3.678 30 20 CHED Cc1ccc(SCC(F)(F)F)c(NC(=O)CC#N)c1 153856964 BJOKWKZPRVKEBQ-UHFFFAOYSA-N 288.294 3.502 30 20 CHED CC(C)(CCC#N)CN1CC[C@H](Cc2ccccc2)C1 155106225 APYSRVLQKMQVKH-QGZVFWFLSA-N 270.420 3.881 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccccc1C(C)C 155455292 BYIQXADRYABLBK-GFCCVEGCSA-N 259.353 3.624 30 20 CHED N#CCOc1ccc(NCc2c(F)cccc2Cl)cc1 20126540 GHPXGSWZWBRNGD-UHFFFAOYSA-N 290.725 3.994 30 20 CHED N#CC1(C(=O)Nc2ccc3ccccc3c2)CCCC1 20962444 DXTADTHRDZKBNP-UHFFFAOYSA-N 264.328 3.862 30 20 CHED CCN(Cc1cccc2ccccc12)C[C@H](C)C#N 42287645 CUIMWGYDXDOPPQ-CQSZACIVSA-N 252.361 3.821 30 20 CHED CC(C)(CC#N)CNC(=O)Cc1c(Cl)cccc1Cl 458036831 XXSLGEHFEWDNBL-UHFFFAOYSA-N 299.201 3.592 30 20 CHED CC(C)C[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 307773322 JPWJSYBYJHVHQJ-CQSZACIVSA-N 260.356 3.565 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)s2)cc1F 307955113 DTACDPMAEIFMTE-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1cc(NC[C@H](C)COCc2ccccc2)cc(C#N)n1 308274551 CDXGDLGJSSCDQT-AWEZNQCLSA-N 295.386 3.527 30 20 CHED C[C@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)CC1 404251793 KUXANMYEBDKUSQ-WFASDCNBSA-N 260.356 3.756 30 20 CHED Cc1ccc(F)cc1CNc1cc(F)cc(C#N)c1 600856063 KPAASHYXFCQHCQ-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccc(Br)cc1 351611319 ZLSDIHOONZEVJW-LLVKDONJSA-N 281.197 3.573 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1 320141822 BKVHXESSPAHVAG-BXUZGUMPSA-N 287.325 3.683 30 20 CHED CC(C)c1nc(CN2CCc3c(C#N)cccc32)cs1 420978885 XUUSPAWMFLWBHN-UHFFFAOYSA-N 283.400 3.701 30 20 CHED COc1cc(C#N)cc(OC[C@H]2CCCCC2(F)F)c1 382151051 OILNBFQWGIKZPT-GFCCVEGCSA-N 281.302 3.771 30 20 CHED C=CC(C)(C)CNC(=O)c1cnc(Cl)c2ccccc12 384853996 MGOIYWLYVISVAQ-UHFFFAOYSA-N 288.778 3.830 30 20 CHED C=CCC1(O)CCN(Cc2ccc(C)cc2Cl)CC1 717451241 MIXVOYGIUWTBLV-UHFFFAOYSA-N 279.811 3.551 30 20 CHED Fc1cc(C=NNCc2ccccc2)ccc1Cl 921256862 CCBRZASJDGBAIO-UHFFFAOYSA-N 262.715 3.603 30 20 CHED Cc1nsc(NCCc2ccccc2Cl)c1C#N 341924489 FHYXEUBZKQHSMV-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C=CCSCC(=O)Nc1ccc(C(F)(F)F)cc1 6614072 XXLARLNIVHCIOD-UHFFFAOYSA-N 275.295 3.563 30 20 CHED CCCCCCCC(=O)NCc1cn2c(C)cccc2n1 109307320 ISZWSUJUOQPYET-UHFFFAOYSA-N 287.407 3.619 30 20 CHED CCCCCCCC(=O)Oc1ccc(C#N)cc1OC 104984068 RYXYTNILKXMHFJ-UHFFFAOYSA-N 275.348 3.833 30 20 CHED CC(C)CCC[C@H](C)NC(=O)CCc1ccc(C#N)cc1 53676179 PAGGIPNFSGHGKX-HNNXBMFYSA-N 286.419 3.822 30 20 CHED Cc1ccc(C[C@H]2CCCN(c3ncccc3C#N)C2)cc1 50953070 BAZFCDZFZZNCHL-QGZVFWFLSA-N 291.398 3.721 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccsc2)c1 172818355 CPWUVCOZPBUSDI-AATRIKPKSA-N 258.342 3.791 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(F)c(F)c2)no1 109537752 WSHGNTPHLJUXDX-VIFPVBQESA-N 280.274 3.669 30 20 CHED CCC[C@@H](C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 113175603 RMCNIHFDHCZSTR-BXUZGUMPSA-N 278.783 3.847 30 20 CHED CC[C@H](C(=O)N(C)c1ccc(C#N)cc1)c1ccccc1 61954793 PCHXNWDVQUNIBI-KRWDZBQOSA-N 278.355 3.715 30 20 CHED C[C@@H](NCCCCCN1CCCCC1)c1ccc(C#N)cc1 174076973 CPZVOKGWJDSGNH-QGZVFWFLSA-N 299.462 3.865 30 20 CHED C[C@H](CC#N)OC(=O)c1cccc2c3c([nH]c12)CCCC3 113685474 CCQHTWZXWRDUHD-LLVKDONJSA-N 282.343 3.506 30 20 CHED CC(C)C[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N 301261453 FJWLKZFERFMIBW-LBPRGKRZSA-N 297.324 3.987 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 135408357 IGQOKSSDTBZJLN-LLVKDONJSA-N 267.288 3.640 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(CSC)cc2)CC1 111749963 MXNXLUBNFMPGLA-UHFFFAOYSA-N 290.432 3.980 30 20 CHED C#CCCCCc1nc(Cc2ccc(Cl)cc2)no1 179625234 CRPCXRCSJHDBCE-UHFFFAOYSA-N 274.751 3.660 30 20 CHED Cc1cc(-c2noc(C3(C#N)CCCCC3)n2)ccc1F 408221698 KINSZAYNXZHZRL-UHFFFAOYSA-N 285.322 3.910 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 116957022 STZXPXOHZQLAOL-GHMZBOCLSA-N 295.452 3.765 30 20 CHED C#CCN(Cc1cnn(C(C)C)c1)[C@@H]1CCc2ccccc21 179203501 LCXPGAHMFHOOAM-LJQANCHMSA-N 293.414 3.587 30 20 CHED N#Cc1c(NCc2cc3ccccc3o2)nc2ccccn12 302124491 ZGSFGVWAVSQGEO-UHFFFAOYSA-N 288.310 3.564 30 20 CHED N#CCCN1Cc2ccccc2[C@H](c2ccccc2)C1 25288168 CPVIJTSILXWKQJ-SFHVURJKSA-N 262.356 3.548 30 20 CHED N#C[C@@H](OC(=O)CCc1ccc2ccccc2c1)C1CC1 177023006 JZQPOJWXBLCQES-QGZVFWFLSA-N 279.339 3.618 30 20 CHED CCN(CCc1cccs1)Cc1ccc(F)c(C#N)c1 468270560 OAJWVORPZKVCRO-UHFFFAOYSA-N 288.391 3.823 30 20 CHED C=CCSCCNc1nc(CC)nc2sccc12 301809555 DCFPUQITIOKWEH-UHFFFAOYSA-N 279.434 3.585 30 20 CHED Cc1ccoc1C(=O)/C=C/C1=Cc2ccccc2OC1 119030492 QLKXNSMJLNFLNB-VOTSOKGWSA-N 266.296 3.803 30 20 CHED CC(C)COc1cccc(NC(=O)NCCCCC#N)c1 171375146 GEWGULDZQUSOEY-UHFFFAOYSA-N 289.379 3.537 30 20 CHED C=CC1CCN(Cc2csc(-c3ccoc3)n2)CC1 111258409 ZEGYYPFZABQVFQ-UHFFFAOYSA-N 274.389 3.801 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)nn1)c1cccc(C#N)c1 301966076 KNJVYMXRGXOTIA-VIFPVBQESA-N 292.264 3.540 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ccccc1Cl 175074139 KVASNTPRXNGEKV-NSHDSACASA-N 251.757 3.874 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)cc1[N+](=O)[O-] 171981176 ZQFPBASUQJAGHJ-FNORWQNLSA-N 299.330 3.577 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cc(F)c(F)c(F)c1 119015804 VVVZGVSFXKAEIW-NSCUHMNNSA-N 266.218 3.901 30 20 CHED C[C@H]1C[C@@H](C)CN(CCCCNCC(C)(C)CCC#N)C1 174273152 CMSMTCSRYKVIOB-CALCHBBNSA-N 293.499 3.664 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1c(C)cccc1C 1352885041 TWXCEQGJVVTLEG-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CSCCCC(=O)Nc1ccc(C(C)(C)C#N)cc1 129145554 MFNYZUHGSQYXIT-UHFFFAOYSA-N 276.405 3.569 30 20 CHED CC(C)n1ccnc1CNc1cccc(OCCCC#N)c1 124149464 CLMQRTLLQFWLIF-UHFFFAOYSA-N 298.390 3.759 30 20 CHED N#Cc1cccc(OCCN2CCC3(CCCC3)CC2)c1 62953867 WQGHFROZPCDAEI-UHFFFAOYSA-N 284.403 3.593 30 20 CHED COc1ccc(CNc2c(Cl)cccc2C#N)cc1O 302674084 SYEMGHBQRQQUNI-UHFFFAOYSA-N 288.734 3.538 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccccc1SCC=C(C)C 123877561 HLLZUFJJLUDHMT-ZDUSSCGKSA-N 288.416 3.777 30 20 CHED C=CCSCCNC(=O)c1c(CC)oc2ccccc12 124011342 MOJVRDFBDMULAX-UHFFFAOYSA-N 289.400 3.644 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(F)c1 34992829 YWJSRZQSCNZLOQ-CYBMUJFWSA-N 284.334 3.579 30 20 CHED C=CCN1CCC(Nc2nc3ccccc3cc2C)CC1 301721536 MYTOLVUGPAFDPF-UHFFFAOYSA-N 281.403 3.606 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccncc1 37777369 VBCDRCLWFWUEHS-AWEZNQCLSA-N 281.359 3.937 30 20 CHED C=C(C)[C@H](NCCOCC1CC1)c1ccc(F)c(F)c1 187761140 HKQVANUUFUXWNT-INIZCTEOSA-N 281.346 3.598 30 20 CHED CCN(CCc1ccccc1)c1ccc(Cl)c(C#N)n1 301513401 JCNZEIPHLIMQMK-UHFFFAOYSA-N 285.778 3.676 30 20 CHED COc1ccc(C#N)cc1CSc1nc2ccccc2[nH]1 129263457 LCGVYTXCXCXZLH-UHFFFAOYSA-N 295.367 3.735 30 20 CHED C=CCOC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 187225508 XAWABTVDRPXAFT-UHFFFAOYSA-N 288.240 3.605 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(C)c1Br 120731091 QXSTVZPAUWJLAA-UHFFFAOYSA-N 297.196 3.797 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccccc2Br)C1 185803624 HVFJDDDJMFYLSK-YPMHNXCESA-N 293.208 3.621 30 20 CHED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)Cc1ccccc1 185831587 DSDZWTCVXIWCNX-DLBZAZTESA-N 270.420 3.927 30 20 CHED CC#CCCCC(=O)N1CCCc2c(C)ccc(F)c21 185747029 DTDZFPGFLSSTSV-UHFFFAOYSA-N 273.351 3.607 30 20 CHED Cn1cc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)cc1C#N 189586287 VZZPVRHRHWGQGY-QGZVFWFLSA-N 299.393 3.913 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCCC[C@@H]2CC)CC1 181746639 QWWSITGXPCDCKF-DOTOQJQBSA-N 264.457 3.585 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc(F)c2ccccc2c1 410838329 XNCRXOMINRTODC-AWEZNQCLSA-N 284.334 3.743 30 20 CHED C#CCCCCC(=O)N(C)Cc1cccc(OC(C)C)c1 120058515 RSEHBIIDPGUNPH-UHFFFAOYSA-N 287.403 3.626 30 20 CHED C=CC[C@@H](C(=O)Nc1ccnc(C)c1)c1ccccc1 188907097 SCHGCQYHUDQUEQ-MRXNPFEDSA-N 266.344 3.688 30 20 CHED C=CCC[C@H](NC1CCN(C2CCCC2)CC1)C1CC1 121545568 RXNPXDVTKTVIAO-SFHVURJKSA-N 276.468 3.728 30 20 CHED C[C@@H](C(=O)NC1CC(C(C)(C)C)C1)c1cccc(C#N)c1 504907081 CTRCIPDHEINOQF-UWTIGNOOSA-N 284.403 3.603 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 410830025 SYKUXZYTBHYKNO-FZKCQIBNSA-N 294.439 3.511 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCc3sccc3C2)cc1 124281826 UNJJSCKSGDEHDT-CYBMUJFWSA-N 298.411 3.597 30 20 CHED CC[C@@H](CC#N)NC(=O)C(c1ccccc1)c1ccccc1 183852079 UOPYDTSWGXVYOW-KRWDZBQOSA-N 292.382 3.627 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(C(C)C)no1 70809101 JQVCQJMWTZCRSR-UHFFFAOYSA-N 298.386 3.669 30 20 CHED C=C(C)COc1cccc(NCc2c(C)noc2C)c1 129261641 JYZPQWARZXVGOH-UHFFFAOYSA-N 272.348 3.858 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)c2ccc(OC)cc2)CC1 180639340 PGVOBBSAAQSEDY-QGZVFWFLSA-N 287.403 3.613 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCOC2(CCCC2)C1 127054859 ITICKADUZIGYJM-GJZGRUSLSA-N 251.414 3.813 30 20 CHED C=CCN(C(=O)C1CC1)c1nc(-c2ccccc2)cs1 78532028 HVWNMULXNFVMJS-UHFFFAOYSA-N 284.384 3.739 30 20 CHED Cc1nc(C(=O)Oc2cccc(C(C)(C)C)c2)ccc1C#N 75719806 NDZRMZWATISICV-UHFFFAOYSA-N 294.354 3.778 30 20 CHED C=CCOCCCC(=O)N[C@@H](CCC)c1ccccc1 79412584 JGWYWGAEQHSSST-INIZCTEOSA-N 275.392 3.627 30 20 CHED C=C[C@H](CC(=O)N[C@H](CC)CSC)c1ccccc1 181199225 HPXWNDMVWVSWKC-UKRRQHHQSA-N 277.433 3.604 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(-n2cncn2)cc1 181900088 LKNXLESARUCQJI-CABCVRRESA-N 284.407 3.663 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 184662387 TZWXFEUAHWRGOH-LLVKDONJSA-N 292.345 3.737 30 20 CHED Cc1ccoc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 75300078 NFTLYTKRKBBTTB-HZPDHXFCSA-N 294.354 3.500 30 20 CHED C=C(C)[C@H](NC(=O)[C@H](C)CSC)c1ccc(F)c(F)c1 186059997 QPZUZZSEQZXSQC-YGRLFVJLSA-N 299.386 3.697 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@H]1C 416121776 WLUMEONVNZVNCX-RDBSUJKOSA-N 284.403 3.604 30 20 CHED C#Cc1cccc(NCc2c[nH]nc2-c2ccc(F)cc2)c1 130434589 UFAWASRRMCVSTG-UHFFFAOYSA-N 291.329 3.809 30 20 CHED CCOc1ccc2nc(SCC3(C#N)CCC3)[nH]c2c1 450625758 QQTWIHNQQAVMAU-UHFFFAOYSA-N 287.388 3.748 30 20 CHED Cc1ccc(F)cc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 73977151 RHOYMZMOWJEPOP-CYBMUJFWSA-N 294.285 3.765 30 20 CHED N#CC1(CN2CCC[C@@H]2Cc2cc(F)ccc2F)CCC1 419305872 XQIYSQTYKZZSLX-OAHLLOKOSA-N 290.357 3.666 30 20 CHED CN(CCCCc1ccccc1)C(=O)C1(C#N)CCCCC1 194343998 LEHQCAPLJBXMIB-UHFFFAOYSA-N 298.430 3.942 30 20 CHED Cc1ccc(C#N)c(NCC(C)(C)c2ccc(F)cc2)n1 500256132 ZQNYRDJNEZKFDU-UHFFFAOYSA-N 283.350 3.791 30 20 CHED N#Cc1ccc(SCCCOCC(F)(F)F)cc1 505887012 QCVCGTCCFFSICY-UHFFFAOYSA-N 275.295 3.619 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C#N)s2)c1OC 134506817 YHCZBILNEZVXGZ-SOFGYWHQSA-N 299.351 3.533 30 20 CHED CSc1ccccc1NC(=O)c1cc(C#N)cs1 84059107 JTIUWPFEQDGTIK-UHFFFAOYSA-N 274.370 3.594 30 20 CHED C=C(C)[C@H](CC(=O)NC(C)(C)c1ccccc1C)OCC 508059424 QOHFSZZXQRZIFH-INIZCTEOSA-N 289.419 3.718 30 20 CHED C=C(C)CCOC(=O)c1cnn([C@H](C)CC)c1C1CC1 89978985 ZLQRTNWHMWFBRG-GFCCVEGCSA-N 276.380 3.855 30 20 CHED C[C@H](CN(CCC#N)Cc1ccco1)c1ccccc1 176298266 AXVZVHKCJKEZGY-OAHLLOKOSA-N 268.360 3.799 30 20 CHED CCCCCCCCCN1CCC(N2CCCC2=O)CC1 191997213 HVLJQVOXIACRCG-UHFFFAOYSA-N 294.483 3.824 30 20 CHED CCCC1CCC(NC(=O)NCC#Cc2ccccc2)CC1 516681336 LNPSPTCTZGACTB-UHFFFAOYSA-N 298.430 3.696 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1nnc(C(C)C)o1 421205895 USHFJFHBAGXVCX-UHFFFAOYSA-N 291.738 3.606 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(C#N)c1 82349611 YEJLQYHHVBLTQU-KBXCAEBGSA-N 290.366 3.576 30 20 CHED C#C[C@@H](CC)NCc1cc(-c2ccccc2)cs1 229900732 WBQDVKVKFNHMRD-HNNXBMFYSA-N 255.386 3.917 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1cccc(C#N)c1 510591639 UAAHNAZBCSBLDY-ZFWWWQNUSA-N 270.376 3.504 30 20 CHED C[C@H]1OCC[C@H]1Nc1ccc(Oc2ccccc2)c(C#N)c1 428412036 VCMJFKAMSXYEGW-CXAGYDPISA-N 294.354 3.940 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@@H](C2CCCC2)C1 421644446 CQZLEISNZWJBPA-MRXNPFEDSA-N 282.387 3.519 30 20 CHED C=C(CNC(=O)N1CCC[C@@H](C)CC1)c1ccccc1 512665021 CTPWZGQJVNCDJC-CQSZACIVSA-N 272.392 3.531 30 20 CHED C#CCCCCNC(=O)Nc1ccc(Cl)cc1OCC 133750996 XIMORNZQGZUHLF-UHFFFAOYSA-N 294.782 3.664 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc(Cl)c(C)c1 426243664 LCEHADUGBNLFSK-CQSZACIVSA-N 292.810 3.899 30 20 CHED C[C@H](C#N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 336130727 XDKXYVRKNMCARD-RKDXNWHRSA-N 297.185 3.599 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCCN2 334862172 QFNDQYDJUVTCDR-OAHLLOKOSA-N 285.391 3.617 30 20 CHED Cc1ccc2oc(C(=O)N3CCC(CC#N)CC3)cc2c1 334461934 PSCCCJFIVFHLHO-UHFFFAOYSA-N 282.343 3.507 30 20 CHED C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 336282840 IFXBIFABFHROSO-ZWNOBZJWSA-N 276.767 3.781 30 20 CHED CC(C)N(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 334966721 CCPMMQJEMUBSIV-KRWDZBQOSA-N 297.402 3.518 30 20 CHED C=CCC[C@@H](C)NCC(=O)Nc1ccc(C)cc1Cl 425375134 YQYMGXUEFLYPOB-GFCCVEGCSA-N 280.799 3.531 30 20 CHED C[C@@H]1CC[C@H](N(C)CC#Cc2ccc(Cl)cc2)C1 429558370 FEICLPCHMHMYRZ-CJNGLKHVSA-N 261.796 3.812 30 20 CHED Cc1cc([C@@H](C)Nc2ccc(C#N)nc2)c(C)s1 149351465 YQOFIHVKWARJPY-SNVBAGLBSA-N 257.362 3.805 30 20 CHED CCCN(CCCCC(C)(C)C#N)CCN1CCCC1 512443446 CHJLLVITFYIPSF-UHFFFAOYSA-N 279.472 3.514 30 20 CHED N#Cc1ccnc(NCc2cccc3cccnc23)c1Cl 236051165 DUDCLXYEPYFRGW-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CC(C)c1ccccc1N/C(O)=N/C[C@@]1(C)CCOC1 330768500 YFIULOARCXNDQR-MRXNPFEDSA-N 276.380 3.563 30 20 CHED CN(CCCC1(C#N)CCOCC1)[C@@H]1CCC(C)(C)C1 337239032 MOPBOEPHUDFSCQ-OAHLLOKOSA-N 278.440 3.597 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C(=O)OC)c(C)o1 97205828 JVZVJYUJVPVUKF-UHFFFAOYSA-N 299.370 3.563 30 20 CHED C[C@H](Nc1ccc(OC(F)F)nc1)c1cccc(C#N)c1 338779952 XIUHMHQSCHTSJW-JTQLQIEISA-N 289.285 3.728 30 20 CHED N#Cc1cccc(SCc2nc(-c3cccs3)n[nH]2)c1 93904386 ZILKKAXWZJUTRF-UHFFFAOYSA-N 298.396 3.697 30 20 CHED COc1ccc(C(=O)/C=C/c2ccccc2)c(F)c1 98068764 RCRAJTROYSAJJK-JXMROGBWSA-N 256.276 3.730 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2C[C@H]2c2c(F)cccc2F)n1 435568807 QDZOSNVYAXNGJH-IAQYHMDHSA-N 299.324 3.816 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(F)c(C#N)c2)cc1 340902195 GSGDHPPMXUGWFK-CYBMUJFWSA-N 296.345 3.839 30 20 CHED CC(C)c1scnc1NC(=O)NCC(C)(C)CCC#N 344679661 JKLWINSMRCCTGW-UHFFFAOYSA-N 294.424 3.718 30 20 CHED CCc1cc(N(C)CC(C)(C)C#N)c2ccccc2n1 432144677 JSUIGMNRCSFADG-UHFFFAOYSA-N 267.376 3.783 30 20 CHED C=CCCCn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 605075775 KUAJXQPJIAWRFK-NSHDSACASA-N 288.416 3.549 30 20 CHED COc1cc(NC[C@H](C)CCC#N)c(Cl)c(OC)c1 602695859 NSXPSOUTEOHFGX-SNVBAGLBSA-N 282.771 3.709 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 431758965 NSPOJIVUJKWYHS-UHFFFAOYSA-N 294.782 3.839 30 20 CHED COc1ccc(Cl)cc1CSCC1(C#N)CC1 344471435 VCNIOZGWCACVOU-UHFFFAOYSA-N 267.781 3.886 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(OCCC(C)C)cc1 522642772 GIHFQPIMJLFXFL-CQSZACIVSA-N 275.392 3.806 30 20 CHED C=C1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CCC2)CC1 342782675 ISQPPCTYPYQDQE-UHFFFAOYSA-N 299.414 3.604 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccnc2Cl)c(O)c1 255833880 TVSZIGBOGPTREF-ALCCZGGFSA-N 273.719 3.645 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccco2)cc(Cl)c1O 255299114 ZIWCGPHSFFJOSF-WAYWQWQTSA-N 292.718 3.933 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1ccc(F)cc1F 432562366 KEUOETDBEBTOHC-UHFFFAOYSA-N 296.361 3.709 30 20 CHED C[C@H](C#N)Sc1nccn1-c1ccc(C(F)(F)F)cc1 346720900 GKBCOMYQIMKSLP-SECBINFHSA-N 297.305 3.895 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc3cc[nH]c3c2)no1 346180880 QVSCWEJRUHXWCP-UHFFFAOYSA-N 290.326 3.872 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)ns1 346190724 VWABCAWAHWOXRN-LLVKDONJSA-N 272.373 3.505 30 20 CHED C[C@H](CCC#N)CNC1(c2ccccc2Cl)CC1 602700722 NZIHTPMEEUPGMV-GFCCVEGCSA-N 262.784 3.859 30 20 CHED C=CC(C)(C)CNCc1cnc(-c2ccco2)s1 449487173 XKDMOEOKQILFPA-UHFFFAOYSA-N 262.378 3.705 30 20 CHED CCCC[C@H](CC)CN[C@H](C)CC1(C#N)CCOCC1 602502639 HURXQRYVZTXYRU-CVEARBPZSA-N 280.456 3.891 30 20 CHED Cc1ccc(N=Cc2cc3ccccc3nc2O)cc1 254303398 HQRZEXRVDKCHKJ-UHFFFAOYSA-N 262.312 3.999 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(O)cc(F)c1 352011581 SQTUDSQJTDNOCH-UHFFFAOYSA-N 271.335 3.720 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc2cnccc2c1 448907466 COPXBCLEQTUJIS-UHFFFAOYSA-N 295.386 3.637 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(Cl)cc1 449548713 PYNAWKBWPBDCLQ-DFBGVHRSSA-N 265.784 3.724 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2CCSCC2)cc1 264871022 UITBQJYLKHWYQI-UHFFFAOYSA-N 288.416 3.569 30 20 CHED CC(C)N(CCC#N)Cc1cnc(-c2ccccc2)s1 534337543 WTNBFIFUGZVWPS-UHFFFAOYSA-N 285.416 3.934 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCCc2ccc(C)cc21 358954389 UVCBZBMNJGSIKR-XJKSGUPXSA-N 272.392 3.636 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2c(F)cccc2F)no1 355818512 DWPPKSUVAUILIU-SNVBAGLBSA-N 294.301 3.592 30 20 CHED CC1(C)C[C@H](NCC#Cc2cccc(Cl)c2)C(C)(C)O1 444631630 AMMRRXRZVLWLQJ-HNNXBMFYSA-N 291.822 3.627 30 20 CHED C=CCC1(NC(=O)c2cccc(C3CCC3)c2)CCOCC1 618250965 WPZZGFIAJJMNQC-UHFFFAOYSA-N 299.414 3.809 30 20 CHED C=CCSCCC(=O)Nc1ccc(OC)c(Cl)c1 268749200 UGSOJJKCHNFWRB-UHFFFAOYSA-N 285.796 3.596 30 20 CHED C[C@H]1CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1(C)C 612771818 UVMPZTKWCNXHCL-UONOGXRCSA-N 299.418 3.697 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(-c3cnco3)cc2)C1 617785657 MSMNOZSRPDOFKN-AWEZNQCLSA-N 296.370 3.770 30 20 CHED Cc1c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)ccn1C(C)C 350681987 MQLSJLRAPAQSIH-HNNXBMFYSA-N 287.407 3.532 30 20 CHED COC(=O)c1cccc(CNc2cc(C)cc(C)c2)c1C#N 535139458 YVVBARAMZPPLLY-UHFFFAOYSA-N 294.354 3.574 30 20 CHED CC(C)(CCC#N)CNC(=O)C(C1CCC1)C1CCC1 359763611 LLLABQDJWQIXLT-UHFFFAOYSA-N 276.424 3.649 30 20 CHED C[C@H]1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 536008901 UZYHYLABCHBPRA-DZGCQCFKSA-N 284.403 3.654 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 535124679 HBCJORKINQZKNJ-OWCLPIDISA-N 261.409 3.794 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 617789910 XRGREUXNKVWHAO-CYBMUJFWSA-N 269.344 3.861 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2cc(OC)ccc2c1 451605466 KODSZNARCMPRRG-BKTGTZMESA-N 297.398 3.843 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccccc1C(C)(C)C 539297851 TYNXYXGGPBRINV-LSDHHAIUSA-N 275.436 3.819 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)CC1(C)C 539477320 ZVCGHBLLHCLFAS-STQMWFEESA-N 252.402 3.561 30 20 CHED CC(C)N(CC1CCC1)C(=O)N[C@@H](C)c1cccc(C#N)c1 618391683 VKGPLIUVLORTHO-AWEZNQCLSA-N 299.418 3.839 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 532065336 TVESTVVPBFIXDA-UHFFFAOYSA-N 295.342 3.584 30 20 CHED C=CCC1(CNC(=O)Cc2nc(C)sc2C)CCCC1 456489732 VFSGZGTVBPIEOV-UHFFFAOYSA-N 292.448 3.555 30 20 CHED Cc1csc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)n1 454840878 JWEDEWDGJVVKHP-UHFFFAOYSA-N 299.399 3.531 30 20 CHED C=C(C)CCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 452743005 SSNPQRJNJAHMFA-HOTGVXAUSA-N 257.377 3.653 30 20 CHED C=CCCN(C)C(=O)c1ccc(CN(CC)C(C)C)cc1 276085873 BYHHIASNJFPUQV-UHFFFAOYSA-N 288.435 3.565 30 20 CHED C=C1CCN(C[C@@H](OC)c2ccc(Cl)cc2)CC1 549137038 HDJXGVDWIAIRBO-OAHLLOKOSA-N 265.784 3.680 30 20 CHED C=CC(C)(C)CNC(=O)NCCc1c[nH]c2cc(C)ccc12 455359277 AHMUPYPVUODPKF-UHFFFAOYSA-N 299.418 3.530 30 20 CHED C=C(C)CCNC(=O)COc1cc(C)ccc1C(C)C 452718855 AKPANJQSVPWCLR-UHFFFAOYSA-N 275.392 3.580 30 20 CHED CC(C)(C#N)CC(=O)NC(C)(C)c1ccc(Cl)cc1 278791424 WHENSOSJETYNHS-UHFFFAOYSA-N 278.783 3.631 30 20 CHED C=C[C@H](CC(=O)N1CCOC2(CCCC2)C1)c1ccccc1 270446085 ZTDAPMSIUGPYGP-MRXNPFEDSA-N 299.414 3.518 30 20 CHED C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@@H]2CCCC[C@H]12 543901862 IKHCNGUECZHWTP-ZTFGCOKTSA-N 271.379 3.688 30 20 CHED Cc1coc2ccc(NC(=O)C3(C#N)CC(C)C3)cc12 548480105 LNPLXCGBPZJYCU-UHFFFAOYSA-N 268.316 3.620 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](CC)C(F)F)c1ccccc1 452265465 PFLVEFVBCSPZFB-OLZOCXBDSA-N 267.319 3.506 30 20 CHED C=CCCCc1nc(-c2ccccc2OC(F)F)no1 273721550 NZATUQNUZLBCQD-UHFFFAOYSA-N 280.274 3.847 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)[C@H](C#N)CCc1ccccc1 457311905 ZEFOGUAFJZBROD-AYBZRNKSSA-N 298.430 3.844 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 547726578 LLYVHICTCCHEFS-CQSZACIVSA-N 290.794 3.720 30 20 CHED C=C(C)[C@H](CC(=O)N1C[C@H](C)[C@H]1c1ccccc1)OCC 270048000 BONZNYYQRGUDHH-ZVZYQTTQSA-N 287.403 3.577 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ncc(C2CCCCC2)s1 274834612 BNJNUIRNGSRDGW-SNVBAGLBSA-N 292.408 3.614 30 20 CHED CN(c1ccc(F)cc1C#N)[C@H]1CCc2ccccc2C1 462832224 HZANJOMLNLDTHF-KRWDZBQOSA-N 280.346 3.691 30 20 CHED CCc1cccc2c1N(CCCSCC#N)CCC2 467143883 IPLGOWPWHNHNLI-UHFFFAOYSA-N 274.433 3.648 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](C)Oc1ccccc1Cl 467990061 ZGHXCCGPQVUWGG-LRDDRELGSA-N 295.810 3.826 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](CCC#N)c1ccccc1 281819550 JAUMLKUDWRAHHB-HOTGVXAUSA-N 285.391 3.685 30 20 CHED C=CCC1(NCc2cc(OC)ns2)CCCCC1 625934266 HLPTUCVUXUXIKN-UHFFFAOYSA-N 266.410 3.520 30 20 CHED C[C@@](C#N)(NC(=O)C1=CCCCCC1)C1CCCCC1 555415704 PUDYJYDXGJQTAL-KRWDZBQOSA-N 274.408 3.856 30 20 CHED C=CCC[C@@H](NCc1csc(COC)n1)c1ccco1 289623262 DRGZSAPYQOJESO-CYBMUJFWSA-N 292.404 3.680 30 20 CHED C=C(C)CCc1noc(-c2ncsc2C(C)C)n1 289760303 KMVSVOHGMKWABH-UHFFFAOYSA-N 263.366 3.825 30 20 CHED CC(C)(C#N)CCN1C[C@@H]2CCCCN2c2ccccc21 550423107 XVXHDKHRRBYENC-HNNXBMFYSA-N 283.419 3.805 30 20 CHED C[C@@H]1CCN(C(=O)CC(C)(C)C#N)CC12CCCCC2 370601198 GDMDHKMIYOJNFM-CQSZACIVSA-N 276.424 3.745 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 466527417 FFHDDELRIDTTJZ-QJPTWQEYSA-N 277.330 3.826 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2ccc(C)cc21 468014489 TZPVQIOMMWJTNE-KRWDZBQOSA-N 257.377 3.877 30 20 CHED CCOC1(C)CCN(CC#Cc2ccc(Cl)cc2)CC1 298215669 FDLCDMJTNNVJPO-UHFFFAOYSA-N 291.822 3.583 30 20 CHED C=CCC[C@@H](NCC1(C)CCC(OC)CC1)C1CC1 479453436 NBNGPTRUTRGCDJ-AQFXKWCLSA-N 265.441 3.916 30 20 CHED C=CCCO[C@H](C)C(=O)N1C[C@@H](C(C)C)c2ccccc21 470415646 QSZNMQAWSZYEBD-ZBFHGGJFSA-N 287.403 3.754 30 20 CHED CC[C@@H](Cc1ccccc1)N(CC)C(=O)CCCC#N 291843380 FUNPSXIOAAQKFM-INIZCTEOSA-N 272.392 3.550 30 20 CHED C=C1CCN(C(=O)CCCOc2ccc(C)c(C)c2)CC1 471873444 ZIJKHHDQQWXYKZ-UHFFFAOYSA-N 287.403 3.641 30 20 CHED C=CCN(CCC#N)Cc1nc(-c2ccccc2)oc1C 292350045 XJCMJLXEPYGFSR-UHFFFAOYSA-N 281.359 3.552 30 20 CHED C=CCC[C@H](NC1CCN(CCC)CC1)c1ccco1 476003240 NAYGAZBBSQQPDR-INIZCTEOSA-N 276.424 3.751 30 20 CHED N#Cc1cncc(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 561454272 FXRGAICTZDCCDU-GXTWGEPZSA-N 298.777 3.750 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C 805217771 JQWZTUWELBTVTI-LSDHHAIUSA-N 293.451 3.881 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc([C@H]3CCOC3)cc2)C1 294903999 FRMNJOTZDPLQSP-KMFMINBZSA-N 270.376 3.685 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc(C#N)ccc1C 473336163 WFXVPXZUTRDCMG-YPMHNXCESA-N 273.380 3.813 30 20 CHED C=CCCCCNC(=O)C[C@@H]1CCc2ccccc2C1 471685616 CGMZXUSPHVUYLL-OAHLLOKOSA-N 271.404 3.654 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@@]1(C)C(C)C 476661217 QIHPEEOBTZODCH-WBVHZDCISA-N 275.392 3.519 30 20 CHED C=CCCCC(=O)N1CCC[C@H](Cc2ccccc2)C1 479684085 JGPOPFPNFCLYRV-QGZVFWFLSA-N 271.404 3.824 30 20 CHED C=CCCCCN1CCC(CCCn2ccnc2)CC1 569426377 SNSUVLKZTMGRBT-UHFFFAOYSA-N 275.440 3.732 30 20 CHED CCN(C[C@@H](C)C#N)C[C@@H](c1ccccc1)C(C)C 474146985 ZQYBBRNIDIXRKS-DOTOQJQBSA-N 258.409 3.908 30 20 CHED C=CC[C@H](C)N[C@H](C)CCc1ccc(F)cc1F 560546430 TUYQJWLRYAXBAD-NWDGAFQWSA-N 253.336 3.840 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 295272259 HQYDWGSWZJTFCR-MRXNPFEDSA-N 271.404 3.777 30 20 CHED CC#CC(=O)N[C@H](CC(C)C)c1ccccc1OCCC 801164243 GEKIFWIPCCVGGX-MRXNPFEDSA-N 287.403 3.702 30 20 CHED CC1(C)CC[C@@H](NC(=O)CCCC#N)c2ccccc21 292253798 HIYWYLZIPIQRCG-OAHLLOKOSA-N 270.376 3.609 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](c1ccnn1C)C(C)C 648540931 TZTBMDPJLOVCFS-HZPDHXFCSA-N 277.456 3.884 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 568569291 LPRVLCPMAPSKDR-XGIHMFCUSA-N 268.404 3.960 30 20 CHED C[C@@H]1CCCC[C@H]1Cn1cc(C#N)c(=O)c2ccccc21 569140749 NGOHRYNYQHJSOK-KGLIPLIRSA-N 280.371 3.699 30 20 CHED C=CCN(CC1CCCCC1)C[C@@H](O)Cc1ccccc1 484571639 UMUGECHMISMFPM-IBGZPJMESA-N 287.447 3.658 30 20 CHED N#CCCCC(=O)OCCCOc1cccc2ccccc12 812614640 UCOGJOAEGHWXGX-UHFFFAOYSA-N 297.354 3.846 30 20 CHED CC(C)(C(=O)N1CCC(CCC#N)CC1)c1ccccc1 399348158 LDUHFRZHRBIRRE-UHFFFAOYSA-N 284.403 3.507 30 20 CHED CC(=NOC1CCC1)c1sc(-c2cccnc2)nc1C 812235507 IPRIHFSITCSNIN-UHFFFAOYSA-N 287.388 3.807 30 20 CHED C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 819634084 XMDKMWCXIQIKFR-IVHIMIEMSA-N 288.778 3.552 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc2ccccc12 814817044 HXGLEURXYGLQMA-UHFFFAOYSA-N 261.271 3.990 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 815876754 NDBWGDIZTMMNJS-UQVLAFNGSA-N 281.399 3.694 30 20 CHED CCC(=NNc1cc(F)cc(OC)c1)c1ccc(F)cn1 814870945 VGEPWKGEYLWTDI-UHFFFAOYSA-N 291.301 3.595 30 20 CHED C#C[C@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 811947290 ZPECYTUBMCORMG-LBPRGKRZSA-N 275.760 3.506 30 20 CHED CCSc1ccc([C@H](C)N=c2ccc(C#N)c(C)[nH]2)cc1 488066216 FLYNYUQRWZAELE-LBPRGKRZSA-N 297.427 3.969 30 20 CHED C#C[C@H](NC(=O)C(C)(C)C1CC1)c1ccc(Cl)cc1 811949961 QYFIKFBNWFNJJF-AWEZNQCLSA-N 275.779 3.567 30 20 CHED CCc1ccccc1NN=C(C)CC1(C(=O)O)CCC1 814802216 WOXUPZVSZYOULK-UHFFFAOYSA-N 274.364 3.682 30 20 CHED CC1(C)CCC[C@H](C=NNc2nc(-c3cccnc3)no2)C1 814950489 IYUZTWUNOJLRBK-LBPRGKRZSA-N 299.378 3.746 30 20 CHED C=CC[C@@H](C)[C@H](C)NC[C@@H](O)c1ccc(Cl)cc1 813884859 MBFSEKZHTZVDLP-TYNCELHUSA-N 267.800 3.564 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](CC(C)C)c1ccccc1C 812040863 JYQWYUBVNGCZDL-RDJZCZTQSA-N 286.419 3.745 30 20 CHED C=CCCN(OCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 815100967 YLWYUHWMFRPGDI-IAGOWNOFSA-N 270.376 3.689 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(CN)cc1F 650753290 KSBOXXOZVXHRLX-HNNXBMFYSA-N 264.388 3.509 30 20 CHED C=CCCCCOC(=O)c1cnc([C@H](C)OCC)s1 811013065 INWIZCXFXYVXGI-NSHDSACASA-N 283.393 3.754 30 20 CHED FC(F)(F)CCNN=C1CC[C@H](Cc2ccccc2)C1 814920361 LSLGISOCLXABHH-CYBMUJFWSA-N 284.325 3.927 30 20 CHED CCOc1cccc(Cl)c1CSCCC#N 572986433 IERLXQLCZKFQBD-UHFFFAOYSA-N 255.770 3.886 30 20 CHED CCCCN(CCCC)C(=O)c1ccc(F)c(C#N)c1 579032550 JANRWGQMXGVYIE-UHFFFAOYSA-N 276.355 3.740 30 20 CHED N#C[C@H](C(=O)CCCc1ccccc1Cl)c1ccccn1 810526497 BCVXWQWUFUMPQU-AWEZNQCLSA-N 298.773 3.934 30 20 CHED C=CCC(C)(C)CNC(=O)Cn1c(C)cc2ccccc21 489988972 MWLOUGHUPDDZOR-UHFFFAOYSA-N 284.403 3.668 30 20 CHED C=CCCNC(=O)Nc1c(C)cc(Br)cc1C 819995862 MLIHKNBHCNYHPE-UHFFFAOYSA-N 297.196 3.764 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1cc(C)sc1C 812444636 KLQQOCFVTMDFNU-UHFFFAOYSA-N 288.372 3.899 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)[C@@H]1CCOC1 812454746 PRZJLGHBJBUTNP-ZDUSSCGKSA-N 276.339 3.527 30 20 CHED C=CCN(C(=O)N[C@H](C)[C@@H](C)C1CCCCC1)C1CC1 577899347 QZZMXLCTOVRBEX-ZIAGYGMSSA-N 278.440 3.951 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(C#N)c2ccccc2n1 573910281 WHRJASGLQDEJCE-QWHCGFSZSA-N 293.370 3.871 30 20 CHED N#CC1(COc2c(F)cc(Cl)cc2Cl)CC1 571523531 MFULBVNREGUMMG-UHFFFAOYSA-N 260.095 3.815 30 20 CHED C#CCCOc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1 822406983 SKMYVIROVPVVOJ-UHFFFAOYSA-N 299.414 3.739 30 20 CHED C=CCCN(OCc1ccccc1)[C@H](C)c1csnn1 829106008 FCYPBBJLENHQNC-CYBMUJFWSA-N 289.404 3.609 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(Cl)n2)C1 821763925 ISYDJUDUIBZDHH-LLVKDONJSA-N 279.771 3.555 30 20 CHED CC/C(C)=C\C(=O)N(CCC#N)c1ccc(C)cc1 822836864 MUVCNCLADWZVNO-SEYXRHQNSA-N 256.349 3.598 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNCCCOc2ccccc2)o1 729147423 AQWWYHXWVYBHMM-WMLDXEAASA-N 298.386 3.796 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1c(F)ccc(C)c1F 499542311 OURYZFNCIAMRGD-UHFFFAOYSA-N 294.345 3.866 30 20 CHED Cc1cccc2c1C/C(=C1\COc3ccc(F)cc31)C2=O 729149895 GQAATGPOTGIQRH-NXVVXOECSA-N 280.298 3.719 30 20 CHED C#Cc1cccc(NC(=S)NCc2ccc(C)s2)c1 726465873 CFYYIJQAIDURPZ-UHFFFAOYSA-N 286.425 3.524 30 20 CHED C=CCCC[C@H](N)c1nc([C@@H]2CCc3ccccc3C2)no1 904613986 BYUQZSDUGDRRNP-CVEARBPZSA-N 297.402 3.698 30 20 CHED O=C(/C=C\c1cccc(C(=O)O)c1Cl)c1cccs1 588558364 SUMBWNNUVMNMCB-SREVYHEPSA-N 292.743 3.996 30 20 CHED N#CC1(CN[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 903107029 ZNHARLDTGHNVFT-DZGCQCFKSA-N 274.795 3.869 30 20 CHED N#CCCCCCC(=O)Nc1cccc2cccnc12 588266657 SERLWPQTLRJLBU-UHFFFAOYSA-N 267.332 3.647 30 20 CHED CC(C)(CCC#N)CNCC[C@]1(C)CC1(Cl)Cl 824969139 FGGCNEJDQACAHG-GFCCVEGCSA-N 277.239 3.880 30 20 CHED N#Cc1ccc(C(=O)OCCCCC2(C#N)CCC2)cc1 908699700 BGAZVOGVPUITKL-UHFFFAOYSA-N 282.343 3.579 30 20 CHED Cc1ccc(CCN[C@@H]2CCc3ccc(C#N)cc32)c(C)c1 580803882 WXCCZRFTOGCDQK-HXUWFJFHSA-N 290.410 3.995 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1scnc1C(C)C 821814428 UTDGDVKSACQZPE-UHFFFAOYSA-N 285.372 3.699 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1c(F)cc(F)cc1F 666214457 HOGJPTQHEPTWSG-UHFFFAOYSA-N 286.297 3.970 30 20 CHED C[C@@H](NC(=O)N1CCC2(CCC2)CC1)c1cccc(C#N)c1 588151052 USLDPUZNULITCG-CQSZACIVSA-N 297.402 3.595 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C\c1ccccc1O)CC2 730147841 URFQXNGMAYRQTQ-GYXHFJGISA-N 251.329 3.807 30 20 CHED O=C1/C(=C\C2=Cc3ccccc3OC2)Cc2cc(O)ccc21 588535255 YRYDIVFKRJWPEK-NVNXTCNLSA-N 290.318 3.533 30 20 CHED C[C@H](OC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1cccc(C#N)c1 835132410 RZYNHDZIJIRMAV-BJKJVOPESA-N 269.344 3.599 30 20 CHED c1ccc(C(CC2CC2)=NNc2ccccn2)cc1 735970873 QQZDGXXVIAYDJF-UHFFFAOYSA-N 251.333 3.698 30 20 CHED C=CC[C@@H](C)NC(=O)CCCc1ccc(SC)cc1 580078315 YISFHQDDYYMDII-CYBMUJFWSA-N 277.433 3.812 30 20 CHED CCN(CC)Cc1ccc(C/N=C/c2ccccc2O)cc1 730546158 BNZZDZHDWHERAD-XSFVSMFZSA-N 296.414 3.853 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1nc(C)c(C)[nH]1)CCO2 901486084 WIHMPSURTKFRRI-ZROIWOOFSA-N 296.370 3.692 30 20 CHED CCCSCC(C)=NNc1ncnc2ccsc12 901207072 JDBODHOAJNLQJR-UHFFFAOYSA-N 280.422 3.622 30 20 CHED C[C@](C#N)(NC(=O)c1ccc(Cl)s1)C1CCCCC1 583772331 DMHQIEFVOGDQPN-CQSZACIVSA-N 296.823 3.994 30 20 CHED CSc1cccc(C(=O)OCCCCC(C)(C)C#N)n1 830981673 YYYFUHSYBAOAPJ-UHFFFAOYSA-N 292.404 3.680 30 20 CHED CC(C)(C#N)N1CCC[C@H](c2nc3ccccc3s2)C1 583601981 FEMUMRKYOAJSCP-LBPRGKRZSA-N 285.416 3.778 30 20 CHED C=C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 839053631 JWZXNVTUITZPRB-BFYDXBDKSA-N 283.371 3.972 30 20 CHED C=C(Cl)COC(=O)c1cccc(Oc2nccs2)c1 736928798 VLPZFVXYCXHHQY-UHFFFAOYSA-N 295.747 3.845 30 20 CHED CC(C)CC[C@@H]1CCC(=NNC[C@H]2CCSC2)C1 834979597 JTUQUQYWNXDCGL-ZIAGYGMSSA-N 268.470 3.921 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(F)c2Cl)C1 839053368 LGTJLRXZDAZZPU-ZJUUUORDSA-N 281.714 3.718 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)c1c(F)cccc1Cl 835199298 VQRJDSIHPQJIJH-BREBYQMCSA-N 298.741 3.674 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 599750824 IAPCASPXQCBALI-SFHVURJKSA-N 288.435 3.745 30 20 CHED C[C@H](CCc1ccco1)NC(=O)CC1(C#N)CCCCC1 596666457 VCOKTNHHYRGKPB-CQSZACIVSA-N 288.391 3.581 30 20 CHED C[C@@H](CSc1ccccc1)C(=O)OCC1(CC#N)CC1 744276490 JAVLYASZSDYYKB-ZDUSSCGKSA-N 289.400 3.652 30 20 CHED CC(C)c1ccc2c(c1)CN([C@H]1CC[C@H](C#N)C1)CC2 595656749 DVNGJBOKZUSWKS-KSSFIOAISA-N 268.404 3.860 30 20 CHED CC(C)C(C)(C)CNC(=O)CC1(C#N)CCCCC1 597539247 CUPWKEMIVCRRET-UHFFFAOYSA-N 264.413 3.649 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1cc(F)ccc1O 747641826 GFQSTMGXGFYRPK-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(CC#N)c2ccc(Cl)cc2)C1 592651555 IOSKUYHIPLVHGM-NEPJUHHUSA-N 276.767 3.633 30 20 CHED Cc1ccccc1N(C)CCCC1(C#N)CCOCC1 598797327 LOAAAEUKHPCZSD-UHFFFAOYSA-N 272.392 3.532 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1ccc(F)cc1C 741764036 PVWJVHCYGDTEET-UHFFFAOYSA-N 292.745 3.722 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 597034912 UJEQRWBJDVEQKI-ZOBUZTSGSA-N 276.424 3.647 30 20 CHED Cc1cc(C)c2cccc(OCC3(CC#N)CC3)c2n1 596276197 HLRSTYFFUMGPJV-UHFFFAOYSA-N 266.344 3.924 30 20 CHED CC1(C)C[C@@]1(CNC(=O)CCCCCC#N)c1ccccc1 598570907 LMBLRLGHYCZHTQ-LJQANCHMSA-N 298.430 3.945 30 20 CHED N#CC[C@H]1CCCN(CCCOc2cccc(Cl)c2)C1 595613540 FBRGAELDLJWDOR-CQSZACIVSA-N 292.810 3.735 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCc1cccc(C)c1 599972410 WGANLFFKGOFCLA-OAHLLOKOSA-N 289.444 3.817 30 20 CHED C[C@@H](c1nc2ccccc2o1)N1CCC[C@H](CC#N)C1 595619734 GLXFQOOFNFLGLG-QWHCGFSZSA-N 269.348 3.514 30 20 CHED N#Cc1ccccc1CSCCN[C@H]1CCC[C@@H]2C[C@H]12 597043828 OTCVWQRDVAAPSK-COXVUDFISA-N 286.444 3.570 30 20 CHED COc1cc(C=NNc2ccccc2Cl)cc(OC)c1 916262698 TURYEXUYMZFSFV-UHFFFAOYSA-N 290.750 3.803 30 20 CHED C[C@]1(C(=O)Nc2cccc(CC#N)c2)CCc2ccccc21 592637681 BFPZADBGFLSBIY-IBGZPJMESA-N 290.366 3.595 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCN(C(C)C)C1 742840776 BARXSGSNRWVQMM-INIZCTEOSA-N 282.472 3.584 30 20 CHED CCCn1cccc1C=NNc1cccc(Cl)c1 918153942 VQKYWDJLYDKSLT-UHFFFAOYSA-N 261.756 3.998 30 20 CHED CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H](CC#N)C1 595616732 WQBPIWGVBWVYED-BBRMVZONSA-N 260.356 3.902 30 20 CHED CCN(C(=O)C1CC2(CC2)C1)[C@H](C)c1ccc(C#N)cc1 596901519 BGIXCZCHEKTMIJ-CYBMUJFWSA-N 282.387 3.658 30 20 CHED C=CCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 591220620 YCOXJXIHVAKUAC-MRXNPFEDSA-N 261.340 3.749 30 20 CHED C=CCN(C(=O)NC[C@H](CC)CCCC)C(C)C 918054632 OUQJGHSMXLLBPE-CQSZACIVSA-N 254.418 3.809 30 20 CHED C=C[C@@H](CC(=O)OCCc1ccncc1C)c1ccccc1 842399134 RLDJARKXJVTWDE-INIZCTEOSA-N 295.382 3.836 30 20 CHED Fc1ccccc1C=NNc1ncccc1C(F)(F)F 915051314 PMGVMAMFSNFLBB-UHFFFAOYSA-N 283.228 3.686 30 20 CHED CCCCc1oc2ccccc2c1C=NNCC(F)F 740618681 WJLUOHTZXBCTCE-UHFFFAOYSA-N 280.318 3.964 30 20 CHED CC(C)(C)[C@H]1CCC1=NNc1ccc(CC(=O)O)cc1 848414612 PMUONPBBWXGJGU-ZDUSSCGKSA-N 274.364 3.538 30 20 CHED C=CCC1(C(=O)N[C@H]2COc3c(Cl)cccc32)CCC1 682917258 SBIYPJBUIKHBGU-ZDUSSCGKSA-N 291.778 3.636 30 20 CHED N#CCOc1cccc(OCc2csc(C3CC3)n2)c1 842108672 PQOJIRVHTMTUTG-UHFFFAOYSA-N 286.356 3.502 30 20 CHED Cc1nc(NCCCc2ccco2)c(Cl)cc1C#N 596542240 OKONWBGBGKFHGX-UHFFFAOYSA-N 275.739 3.553 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCCc3cccnc32)CC1 922875109 HMDYNJURZRIFQV-ISXOHVOVSA-N 269.392 3.521 30 20 CHED C=CCSCCN[C@H](c1cccc(C)c1)c1ccccn1 925349523 COBXQEOAVZDZKW-GOSISDBHSA-N 298.455 3.988 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccccc1F 920385972 MIDNEAWWHRLISL-GFCCVEGCSA-N 256.324 3.901 30 20 CHED C=CCC(CC=C)c1nc(Cc2ccc3c(c2)CCO3)no1 680723983 NTPWOMLOJRBULO-UHFFFAOYSA-N 296.370 3.831 30 20 CHED CC[C@@H](C)COC(=O)c1ccc(C(F)(F)F)cc1C#N 758129781 UFTQIGUOMUUOLN-SECBINFHSA-N 285.265 3.780 30 20 CHED COc1cccc(OC)c1C=NNc1cc(C)ccc1F 755773107 QLHBCLXKRPNWDV-UHFFFAOYSA-N 288.322 3.597 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1cc(F)cc(F)c1 759084349 PEXLUWNTJTUSDH-UPHRSURJSA-N 285.702 3.971 30 20 CHED CCCCCCCOC(=O)c1c(F)cc(C#N)cc1F 756238440 CPIVUPKCXBVEMC-UHFFFAOYSA-N 281.302 3.964 30 20 CHED Cc1cc(COC(=O)Cc2ccc(C#N)cc2)c(C)s1 750244343 ATCVLUKUFYNSRG-UHFFFAOYSA-N 285.368 3.523 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(N)cc1C 758092145 ZNWGRUVQWAQEEX-UHFFFAOYSA-N 275.302 3.692 30 20 CHED CC(C)c1nccnc1NN=C1[C@@H]2CCC[C@@H]2C1(C)C 853342121 ZYKVEQKEIXTIIC-NEPJUHHUSA-N 272.396 3.824 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@H]1CCCC[C@@H]1C 751374265 MWMHHBINIAGOFG-LSDHHAIUSA-N 264.413 3.601 30 20 CHED C#C[C@H](CC)Nc1nc(C(F)F)nc2ccc(F)cc12 853531494 QPZYKVQROUYKLZ-SECBINFHSA-N 279.265 3.530 30 20 CHED CC(C)(NC(=O)/C=C/c1ccccc1C#N)c1ccccc1 921154690 AEYVXZLGFDZTMA-OUKQBFOZSA-N 290.366 3.623 30 20 CHED C=CC[C@H]1CCCN(Cc2ccnc(Br)c2)C1 852411986 XOKOMCDGIVFQDR-LBPRGKRZSA-N 295.224 3.632 30 20 CHED Cc1ccc(C)c(OC(=O)c2ccc(CC#N)cc2)c1 759745255 UAXIXBFJHILZDD-UHFFFAOYSA-N 265.312 3.589 30 20 CHED C[C@@H]1CN([C@@H](C#N)c2ccccc2)Cc2ccccc21 851720220 DEONLYJKPKNCCW-KDOFPFPSSA-N 262.356 3.871 30 20 CHED Fc1ccc(F)c(CNN=Cc2cc(Cl)ccc2F)c1 753697230 LHCYECKWENELJA-UHFFFAOYSA-N 298.695 3.881 30 20 CHED O=[N+]([O-])c1cccnc1NN=C(CC1CC1)c1ccccc1 759200765 GGJRQQOZROEMSW-UHFFFAOYSA-N 296.330 3.606 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC(C)(C)c1cccs1 932843959 GAGQDFQAOFQODV-UHFFFAOYSA-N 298.411 3.636 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1cc(F)cc(F)c1 755880130 OWYSAKMJBWLXOH-UHFFFAOYSA-N 286.285 3.677 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3cccc(F)c3)ccc21 751525605 JGZLHDGHWSITEI-VURMDHGXSA-N 281.330 3.714 30 20 CHED C[C@H](Cc1ccccc1)OC(=O)/C=C/c1ccccc1C#N 750410957 KNDJXUBJQFBMHN-AYJWMTRPSA-N 291.350 3.746 30 20 CHED C=C1CN(C(=O)Nc2ccccc2CCC(F)(F)F)C1 930341345 HDNFSHZZNHKYQI-UHFFFAOYSA-N 284.281 3.585 30 20 CHED C=CCC(CC=C)C(=O)NCCCOc1cccc(C)c1 758388386 AOTOCKBKBIHKHX-UHFFFAOYSA-N 287.403 3.649 30 20 CHED C=C(Br)CN1CC[C@H](c2ccccc2)[C@@H]1C 751777068 RQQCAZQUUDHSKK-JSGCOSHPSA-N 280.209 3.773 30 20 CHED C#Cc1ccc(NC(=O)N[C@H](CC)c2c(C)noc2C)cc1 934932037 BTCHWWKDAGTYCL-OAHLLOKOSA-N 297.358 3.546 30 20 CHED CC[C@@H](C(=O)Oc1ccc(C#N)c(OC)c1)c1ccccc1 767153459 BKTFEWQRAPPVDL-MRXNPFEDSA-N 295.338 3.666 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(-c2ccon2)cc1 933719623 GXMMUXCMTDIQMM-ZDUSSCGKSA-N 285.347 3.818 30 20 CHED C=CCCCC(=O)Nc1n[nH]c(C)c1-c1ccc(F)cc1 863944530 LJFLHBDKMOAWAX-UHFFFAOYSA-N 287.338 3.819 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(C#N)cc1 764437687 UXGZMYIILXXCRP-SREVYHEPSA-N 269.325 3.524 30 20 CHED CCON=C(CC)c1cccc(Br)c1 767468290 DJCLTJUKGDWODF-UHFFFAOYSA-N 256.143 3.600 30 20 CHED CCCCCCCNC(=O)c1cnccc1C(F)(F)F 862356239 YUNRBRYLHIRYKB-UHFFFAOYSA-N 288.313 3.801 30 20 CHED CCCCCCCC(=O)N(C)[C@H](CCO)c1ccccc1 768919382 QRJDKAQVKIKAHX-QGZVFWFLSA-N 291.435 3.929 30 20 CHED N#Cc1cc(Cl)ccc1CN[C@H](c1ccccn1)C1CC1 932384309 RJNYCKDQFWQNGN-KRWDZBQOSA-N 297.789 3.848 30 20 CHED C[C@@H](Sc1nccc(C#N)c1[N+](=O)[O-])c1cccs1 760469178 CYAIOVUUTGOSRG-MRVPVSSYSA-N 291.357 3.776 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(Cl)c2occc12 935399865 OGAQCSFVZWZETR-SECBINFHSA-N 276.723 3.508 30 20 CHED C=C(C)CNC(=S)N(C)C[C@H](C)C1CCCCC1 863230135 DSNOILLCOCPLGW-ZDUSSCGKSA-N 268.470 3.585 30 20 CHED COc1ccc(CNN=C[C@@H]2CCC[C@@H](C)C2)cc1 768361810 XJYVCRVPENESJL-UKRRQHHQSA-N 260.381 3.597 30 20 CHED C=CCN(Cc1cc(C)c(Br)cn1)C(C)C 862223503 HWSCNDLXCNRRGM-UHFFFAOYSA-N 283.213 3.549 30 20 CHED C#C[C@H](C)N(C)Cc1csc(-c2ccc(Cl)cc2)n1 769962387 YGTKODSLPCIZJF-NSHDSACASA-N 290.819 3.917 30 20 CHED C#CCN(Cc1cc(C)c(C)cc1OC(F)F)C1CC1 764684230 VIHOVRNGEOQQMS-UHFFFAOYSA-N 279.330 3.502 30 20 CHED Cc1ccc(NN=Cc2csc(Cl)c2Cl)nn1 761806794 JDPDDTSYEGEINC-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C#CCCN1CCc2cc(Cl)c(Cl)cc2[C@H]1C 760845787 CPFSTKFZMLMRSG-SNVBAGLBSA-N 268.187 3.936 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2cccc(F)c2[C@H]1C 879214249 YFEGOWQQXGQYNP-GFCCVEGCSA-N 275.367 3.874 30 20 CHED CC(C)(C)c1nnc([C@@H]2C[C@H]2c2cccc(C#N)c2)o1 1118427148 DRZHVWYKDOWUGC-QWHCGFSZSA-N 267.332 3.510 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc([N+](=O)[O-])cc1 765993575 XQFJFZGJSUCWIU-SNVBAGLBSA-N 261.325 3.819 30 20 CHED COc1ccc(CNN=C[C@H]2CCC[C@@H](C)C2)cc1 768361808 XJYVCRVPENESJL-HIFRSBDPSA-N 260.381 3.597 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)c(F)cc1F)C1CCCC1 876345711 HHCDIXMAQUJLPH-VIFPVBQESA-N 278.302 3.601 30 20 CHED C#CCSCCN[C@H](CC)c1ccc(OC(F)F)cc1 773011880 XYOHVEFMYGHKAZ-CQSZACIVSA-N 299.386 3.695 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)O[C@@H](C#N)C2CCCCC2)C1 776397527 OSHGQGOJTFDDTN-NFAWXSAZSA-N 263.381 3.828 30 20 CHED C=CCN(C(=O)Cc1ccccc1CC#N)c1ccccc1 776785579 JRBJNNZKVPKOMB-UHFFFAOYSA-N 290.366 3.514 30 20 CHED C#CCCCCCC(=O)Nc1cc(OC)ccc1Cl 779873262 JJTSXFXYEOVLPO-UHFFFAOYSA-N 279.767 3.871 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2sccc2O)cc1F 773151076 TXVFIOHBQNLRQC-XQRVVYSFSA-N 291.347 3.555 30 20 CHED N#C[C@H](C(=O)C1CCC=CCC1)c1nc2ccccc2o1 873498390 AQWMZTNVNFPHDK-CYBMUJFWSA-N 280.327 3.750 30 20 CHED CC(=NOC1CCOCC1)c1cccc(-c2ccncc2)c1 774452611 KEMGTIHGLALKAL-UHFFFAOYSA-N 296.370 3.668 30 20 CHED C=C(CC)CON=Cc1cc(Cl)c(OC)c(OC)c1 773187311 ZGBIKZLYXUUSHL-UHFFFAOYSA-N 283.755 3.674 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(F)c(C#N)c1)C2=O 770573596 RLLGJFNGFUMJAS-AUWJEWJLSA-N 277.298 3.828 30 20 CHED CC(C)(C)SCCCN(CCC#N)CC1CC1 878159048 CFESMYRNQCXCMA-UHFFFAOYSA-N 254.443 3.534 30 20 CHED Fc1ccc(C=NOC2CCCC2)c2ncccc12 774607223 DEIBUJKWVVYPJG-UHFFFAOYSA-N 258.296 3.667 30 20 CHED Cc1ccccc1C(=O)O[C@@H](C#N)C1CCCCC1 776359348 IOKMUBOJXMXCCR-HNNXBMFYSA-N 257.333 3.624 30 20 CHED C=C(Cl)COC(=O)c1ccc(F)c(Cl)c1F 773552934 MHQWUEPPTVDWEJ-UHFFFAOYSA-N 267.058 3.528 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1ccccc1C(C)(F)F 879750953 YKGRKHDUMOFCEJ-CQSZACIVSA-N 280.318 3.722 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1ccccc1C(F)F 1119323981 MYASMQLIGXQOHY-AWEZNQCLSA-N 266.291 3.548 30 20 CHED COc1ccc(CC(C)=NOC(C)(C)C)c(C)c1OC 1117703856 HGLYVYHBTKCERA-UHFFFAOYSA-N 279.380 3.746 30 20 CHED C#CCCCCCc1nc(-c2ccc(C)cc2F)no1 770897443 VSNMTESYMVQBJI-UHFFFAOYSA-N 272.323 3.920 30 20 CHED CSc1cccc(NC(=O)C#Cc2ccccc2)c1C 775511320 KIISQZYYIBGALC-UHFFFAOYSA-N 281.380 3.707 30 20 CHED C#CCSCCN[C@H]1CCCOc2c(Cl)cccc21 773011727 UPHPCMNQMLCRLN-AWEZNQCLSA-N 295.835 3.510 30 20 CHED CCc1ccc(NC(=O)c2ccccc2OCC#N)cc1C 770262782 CZDHKYSPXIMRKP-UHFFFAOYSA-N 294.354 3.712 30 20 CHED C[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)C1CCCC1 776394270 WJZCUGRHESMDPQ-WFASDCNBSA-N 263.381 3.828 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)Cc1ccccc1CC#N 776886557 MAAWFIKLVRCRAB-FUHWJXTLSA-N 298.430 3.770 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)C[C@H]1C=CCCC1 1123062525 SHQSHJGMHGPIFN-CVEARBPZSA-N 283.371 3.501 30 20 CHED Cc1cccc(C=NNc2ccc3c(=O)[nH]ccc3c2)c1C 789077278 RQHOGTKTBULLBZ-UHFFFAOYSA-N 291.354 3.591 30 20 CHED CC1(C)C[C@H](NN=Cc2cccc3ccccc23)CCO1 780253620 XCJRTLWTYINDOH-MRXNPFEDSA-N 282.387 3.721 30 20 CHED Fc1cc(F)cc(NN=Cc2cc3ccccc3[nH]2)c1 788425670 JBTPRGCJCMEBDE-UHFFFAOYSA-N 271.270 3.892 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3cccs3)cn2c1 789127970 POZCXPJGCGZFRI-WAYWQWQTSA-N 268.341 3.600 30 20 CHED C=C(C)CCC(=O)N(c1ccc(C#N)cc1)C1CCC1 1121131387 PYVDTWNWIZBUFI-UHFFFAOYSA-N 268.360 3.800 30 20 CHED C#CCC1(C(=O)Nc2ccc(F)cc2)CCCCC1 788142702 XUOIEBNMJWPIPX-UHFFFAOYSA-N 259.324 3.738 30 20 CHED C=CCCCNc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882281304 WDJOYTCNLXMGML-LJQANCHMSA-N 292.326 3.990 30 20 CHED COc1ccc(NN=C(C)c2ccc(F)c(Cl)c2)nc1 780275409 WCJCLEZJAZABGO-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C=CCN(CC=C)Cc1cccc(C(F)(F)F)c1 302817238 XZOIQWLSMUUROY-UHFFFAOYSA-N 255.283 3.879 30 20 CHED C=C(CNC(=O)c1ccsc1Cl)c1ccccc1 1129475715 MZZYTTIVSUHTAK-UHFFFAOYSA-N 277.776 3.845 30 20 CHED C#CCSc1ccc(COC(=O)CCC(C)(F)F)cc1 788417305 JAQJHEVOWDIYDU-UHFFFAOYSA-N 298.354 3.891 30 20 CHED C/C=C(/CC)C(=O)Nc1sc(C)c(CC)c1C#N 789638984 QDYMZFRWNVWPRC-YHYXMXQVSA-N 262.378 3.785 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCC(C)(C)C1 781850748 SZNHTRMUTIAMPQ-STQMWFEESA-N 286.375 3.742 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1cc(C#N)sc1[N+](=O)[O-] 893182298 ONQQRDNAYQKMNG-LURJTMIESA-N 293.270 3.671 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)CC1 895875270 KVTVMXGCRUSVHC-MAUKXSAKSA-N 299.414 3.721 30 20 CHED CCN(Cc1cccc(Cl)c1Cl)C[C@H](C)C#N 91984089 HCENJWXNDXOESF-SNVBAGLBSA-N 271.191 3.975 30 20 CHED CC(=NNc1ncccc1C)c1cc2ccccc2o1 790187702 ZGZBALVAYHYUHO-UHFFFAOYSA-N 265.316 3.972 30 20 CHED CCc1ccc(NC(=O)Nc2cc(F)cc(C#N)c2)cc1 1202940292 GAGIUCVOUQTZQL-UHFFFAOYSA-N 283.306 3.904 30 20 CHED CC(C)[C@H]1CCCC(=NNCCC(=O)OC(C)(C)C)C1 794529364 CGAYACJAGNYJDL-ZDUSSCGKSA-N 282.428 3.510 30 20 CHED N#Cc1cc(C(=O)NC2(C3CCCCC3)CC2)ccc1F 1134747877 UZIOKPCFZGFBEP-UHFFFAOYSA-N 286.350 3.540 30 20 CHED C#CCN(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 790964084 ONDUADZNBLYOHN-PKNBQFBNSA-N 299.370 3.659 30 20 CHED Fc1cccc(NN=Cc2ccccc2C2CC2)n1 795009285 ZIOHUKLRDHKMFF-UHFFFAOYSA-N 255.296 3.544 30 20 CHED CSc1ccc(C)c(C(=O)Nc2ccccc2C#N)c1 78717930 RMLIWHKRAJCZKK-UHFFFAOYSA-N 282.368 3.841 30 20 CHED C=CC[C@H](CC)NC(=S)N[C@@H](C)c1cccs1 798374888 ANMWDHDNVIQVLG-QWRGUYRKSA-N 268.451 3.628 30 20 CHED COc1cc(F)c(C(C)=NN[C@H](C)C(C)(C)C)cc1OC 793112785 XDPOYOXNFRZRFA-LLVKDONJSA-N 296.386 3.591 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 791059244 OMOZGLJMAVQOGF-KBAYOESNSA-N 298.430 3.624 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1C#N 799342445 QRCITSQTZHKDBH-JKIFEVAISA-N 282.387 3.565 30 20 CHED N#Cc1sc(N2CC[C@H](C3CCCC3)C2)nc1Cl 708863910 MZTPRVCFGKWODK-JTQLQIEISA-N 281.812 3.685 30 20 CHED C#CC(C)(C)NC(=O)[C@H](C)c1cccc(CC(C)C)c1 796443352 RSCMNXDZUSHDRZ-CQSZACIVSA-N 271.404 3.517 30 20 CHED c1ccc(-c2noc(NN=C3CCC4(CC3)CC4)n2)cc1 792636059 QAHURYIWQLURTL-UHFFFAOYSA-N 282.347 3.859 30 20 CHED C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C(C)(C)C1 80684190 CYVXLYKGTVJORP-VIFPVBQESA-N 283.297 3.597 30 20 CHED C[C@@H](OC(=O)C1CC(C)(C)C1)c1ccc(C#N)cc1 797099023 JBGCAJNYDQEGSZ-LLVKDONJSA-N 257.333 3.599 30 20 CHED Fc1cccc(NN=C2CCC[C@H]2c2ccccn2)c1 794901454 MFFCLAPWRCQAKG-AWEZNQCLSA-N 269.323 3.956 30 20 CHED Cc1cccc2c1OCCC2=NNc1cccc(Cl)n1 793176145 YYRFMVTZSOAKBT-UHFFFAOYSA-N 287.750 3.642 30 20 CHED C#C[C@@H](CCC)NC(=O)N(Cc1ccccc1)CC1CCC1 791065777 WOFHWVXWKFAAGB-SFHVURJKSA-N 298.430 3.800 30 20 CHED Cc1ccc2c(C(=O)OC(C)(C)C#N)csc2c1 796767334 DTLTZAFPIUGSSZ-UHFFFAOYSA-N 259.330 3.669 30 20 CHED CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC[C@@H](C)C#N 799483086 JXLQHRJBISYLBS-ZDUSSCGKSA-N 296.418 3.961 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccc(C#N)c(F)c1 1219031103 XRKKUAXCDQCTMT-GHMZBOCLSA-N 289.354 3.644 30 20 CHED CCO[C@@H]1C[C@H](Nc2ccc(CC#N)cc2)C12CCC2 87709851 DIYHTRSUGBTBEU-JKSUJKDBSA-N 270.376 3.512 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(OC(C)C)cc1 90450943 YIFMODPPXOKXDK-OAHLLOKOSA-N 277.408 3.717 30 20 CHED C(=NNc1ccc2ccccc2n1)c1cccc2cn[nH]c12 1329399157 SJEOXIFEDITHPB-UHFFFAOYSA-N 287.326 3.557 30 20 CHED CC#CCCCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 1320272443 VFBWHRKBXRGWNN-UHFFFAOYSA-N 295.386 3.621 30 20 CHED Cc1ccnc(CSCc2cc(C#N)ccc2F)c1 1255683171 YEAOWTGJKOVHAV-UHFFFAOYSA-N 272.348 3.834 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc(Cl)c(Cl)cc1O 1339276207 OJRWJYYOXUSJNA-RKDXNWHRSA-N 290.190 3.551 30 20 CHED C=C(C)CCC(=O)Nc1cc(OC)ccc1OC(C)C 1262607739 LIEUDKBPPSDXMP-UHFFFAOYSA-N 277.364 3.777 30 20 CHED C[C@@H](COCC1CCCCC1)NC[C@H](C)CCC#N 1334317190 GAGRYEIZWJMURG-CABCVRRESA-N 266.429 3.501 30 20 CHED N#C[C@@H](OC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C1CC1 1263377249 VJQNPAZFLUPXGL-FNVMNULWSA-N 296.153 3.852 30 20 CHED C#C[C@@H](NC(=N)Nc1ccc(C)cc1)c1ccc(Cl)cc1 1349923651 UEEUIROOBYPSKQ-MRXNPFEDSA-N 297.789 3.959 30 20 CHED CS[C@@H]1CC[C@@H](N(C)C(=O)CC2(C#N)CCCCC2)C1 1347579780 YMRHJMJMPTZPGY-ZIAGYGMSSA-N 294.464 3.593 30 20 CHED CCn1c(C)cc(C(=O)O[C@H](CC#N)c2ccco2)c1C 1350311180 HXQFIGWYGZUNMT-OAHLLOKOSA-N 286.331 3.530 30 20 CHED CC[C@@H]1c2ccccc2CN1c1cccc(CC#N)n1 1352097423 OPQFAWUAWDMMNJ-MRXNPFEDSA-N 263.344 3.619 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)O[C@H](CC#N)c2ccco2)C1 1518017604 KJFZZSNZSAVINQ-YRGRVCCFSA-N 261.321 3.604 30 20 CHED C=CCOc1cccc(NC(=O)c2ccnn2[C@@H](C)CC)c1 1527347219 IZHRREPNCMCQLR-ZDUSSCGKSA-N 299.374 3.671 30 20 CHED CCN(Cc1ccc(Cl)cc1)c1ccnc(C#N)c1 1458140503 DAAIHBUORJCQCC-UHFFFAOYSA-N 271.751 3.633 30 20 CHED Cc1ccc(F)c(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 1529381048 UNRYUDZJIOQLNZ-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED Cc1cccc(C)c1CNC(=O)[C@H](CC#N)c1ccccc1 1526634464 QZSPSBYQILBTMJ-QGZVFWFLSA-N 292.382 3.617 30 20 CHED N#CCC[C@@H](NC(=O)c1ccc(CF)cc1)c1ccccc1 1534333388 VLXMECQZFZLEFK-QGZVFWFLSA-N 296.345 3.931 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)c(C#N)c1 1460276951 GKOVHGVGHFYICT-ZDUSSCGKSA-N 293.345 3.762 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2ccc(C(F)F)cc2)c1 1536848738 UKQLKKHJMOHDAL-UHFFFAOYSA-N 290.244 3.887 30 20 CHED C=C(C)C[C@@H](C)C(=O)Oc1cc(Cl)ccc1C(=O)O 1602750133 MORMKTRNLYELHF-SECBINFHSA-N 282.723 3.546 30 20 CHED Cc1ccc(CCNc2nc(C#N)c(Cl)s2)cc1C 1472827037 NDSUHGHPARJBPH-UHFFFAOYSA-N 291.807 3.940 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 1626029952 REJWQMTUQXHXEL-UKRRQHHQSA-N 297.402 3.753 30 20 CHED Cc1nc(C#N)cc(NCCc2ccc(C(C)(C)C)cc2)n1 1639268726 QNPIHVVVMRKPIP-UHFFFAOYSA-N 294.402 3.609 30 20 CHED Cc1cc(N2CCC(Cc3ccccc3)CC2)ncc1C#N 1639186404 OTTOQQFVZGEFEC-UHFFFAOYSA-N 291.398 3.721 30 20 CHED Cc1ccc(C[C@@H](C)Nc2ncc(C#N)cc2F)c(C)c1 1639466745 JCZYLUFCVNIWMS-CYBMUJFWSA-N 283.350 3.752 30 20 CHED CC[C@H](CCc1ccccc1)Nc1ncc(C#N)cc1F 1640157470 FQXYEZSVKQKIBW-OAHLLOKOSA-N 283.350 3.916 30 20 CHED CCc1csc(SCCc2ccc(C#N)cc2)n1 1644126995 MAJOGNBKOQDCTA-UHFFFAOYSA-N 274.414 3.912 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2Cc1cccc(C#N)c1 1644767057 PJELGAZKBIEQCI-CQSZACIVSA-N 278.355 3.654 30 20 CHED C[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 1665385914 MBTYWQRKQMJCFX-ZYHUDNBSSA-N 291.782 3.769 30 20 CHED Cc1ccc(C=NNc2cccc(C(=O)O)c2)c(C)c1C 1776038122 TVDSASSMMZXSIJ-UHFFFAOYSA-N 282.343 3.756 30 20 CHED C=CCc1ccccc1CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 1776188132 CCUZOIFRWQCDFH-SZMVWBNQSA-N 299.414 3.633 30 20 CHED C=CCc1ccccc1CNC1(C(=O)O)CCCCCC1 1776189606 LNDJDVQLWJUNQE-UHFFFAOYSA-N 287.403 3.682 30 20 CHED CCOc1cccc(/C=N/Cc2ccc(C)c(F)c2)c1O 17701212 NXDZRODOCQCKKT-YBFXNURJSA-N 287.334 3.858 30 20 CHED N#Cc1cccc(NCc2ccc(Br)cc2)c1 19921895 JNFDIQWPEZXOJW-UHFFFAOYSA-N 287.160 3.933 30 20 CHED C[C@@H](CCc1ccc(O)cc1)NCc1ccc(C#N)cc1F 162496868 WXOZDLFUCUGWNV-ZDUSSCGKSA-N 298.361 3.514 30 20 CHED Cc1cccc(C)c1NC(=O)CSc1cccc(C#N)c1 158674818 PBPYRHQHOSARFV-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CC(C)(C)c1nsc(Oc2cccc(F)c2C#N)n1 160114973 GKQHELVARRNFRK-UHFFFAOYSA-N 277.324 3.639 30 20 CHED N#CCC[C@H](NC(=O)NCC1(C2CC2)CC1)c1ccccc1 160886221 WUVZLXGXBGDDAF-INIZCTEOSA-N 297.402 3.521 30 20 CHED C=CCC(CC=C)C(=O)OCc1nc(C)c(C)s1 151615737 SMKHYEXZSXQJEF-UHFFFAOYSA-N 265.378 3.572 30 20 CHED CCC[C@H](C)CC(=O)N(CC)c1ccc(C#N)cc1 152001965 AYZCFHZHDGWDLQ-ZDUSSCGKSA-N 258.365 3.737 30 20 CHED CCCCCCCS(=O)(=O)Cc1cc(C)ccc1OC 152012135 COSMCMZHRHPGTR-UHFFFAOYSA-N 298.448 3.889 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(C(F)(F)F)c(C)c1 157559213 UGEUFVQCCXFKFM-SNVBAGLBSA-N 299.296 3.828 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Cc1ccccc1Cl 155167285 BEJXOKUIUMSIMR-VXGBXAGGSA-N 265.784 3.599 30 20 CHED C=CCCCNc1cc(NC(C)=O)ccc1Cl 157176448 SBACJRCJYOBHSQ-UHFFFAOYSA-N 252.745 3.677 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCOc2ccccc21 156822580 CNLDHNKGGJWCRW-INIZCTEOSA-N 287.403 3.758 30 20 CHED Cc1ccc(F)c(CN(CCC#N)Cc2ccco2)c1 159547041 RHPYTJXMNKZXCG-UHFFFAOYSA-N 272.323 3.643 30 20 CHED N#Cc1ccc(CCC(=O)OC/C=C\c2ccccc2)cc1 207287452 WIYPTGHTDZJEIE-DAXSKMNVSA-N 291.350 3.747 30 20 CHED N#Cc1cccc(C(=O)CCc2ccc(C=S)cc2)c1 253533925 WBMUFJUGMMBFCQ-UHFFFAOYSA-N 279.364 3.722 30 20 CHED N#Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 15512022 JHVAGJVBAAVAQR-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1ccc(OCc2cc([N+](=O)[O-])ccc2Cl)cc1 36964931 JVIKQNWQUIWECN-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CN(Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1 42267241 DGIQMRIYEACHKW-UHFFFAOYSA-N 270.763 3.844 30 20 CHED Cc1cc(C#N)ccc1COc1cccc(N(C)C)c1 165558289 QPYAXCBZDQXWCQ-UHFFFAOYSA-N 266.344 3.512 30 20 CHED C[C@@H]1CCCC[C@H]1Nc1nc2c(cc1C#N)CCCC2 44298207 DMAUSKNKNRYZPF-IUODEOHRSA-N 269.392 3.823 30 20 CHED Cc1cccc(Oc2ncc(C#N)cc2Cl)c1[N+](=O)[O-] 301880801 ZTYVTDRWSMQRJC-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1cccc(C#N)c1 308091145 QZLDJGYZIIFMCS-CQSZACIVSA-N 258.365 3.959 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1cccc(C#N)c1 308091144 QZLDJGYZIIFMCS-AWEZNQCLSA-N 258.365 3.959 30 20 CHED Cc1cc(N(C)Cc2ccccc2Cl)cc(C#N)n1 308271712 MQHGJKBSGDHACL-UHFFFAOYSA-N 271.751 3.552 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC[C@@H](C3CC3)C2)c1 77898363 WNZOJADRQLPHJR-IAGOWNOFSA-N 254.377 3.617 30 20 CHED N#CCCCCN1CCc2ccc(Br)cc2C1 342180625 VDSTZXFJTJNLLT-UHFFFAOYSA-N 293.208 3.501 30 20 CHED COc1ccc(C#N)cc1COc1cc(F)cc(Cl)c1 703712948 IVSZMRZLSVCISJ-UHFFFAOYSA-N 291.709 3.938 30 20 CHED Cc1nc(Oc2cc(F)cc(Cl)c2)ccc1C#N 703731932 UVJIEJCYHRGMKL-UHFFFAOYSA-N 262.671 3.847 30 20 CHED CCN(CCC(F)(F)F)c1nc(C)c(C#N)cc1Cl 589685694 DORUSHNKWOJCIS-UHFFFAOYSA-N 291.704 3.694 30 20 CHED Cc1nc(NC[C@@H](C)CC(F)(F)F)c(Cl)cc1C#N 396927037 KXBPOJRAAUJIKH-ZETCQYMHSA-N 291.704 3.916 30 20 CHED CN(Cc1ccc(Cl)o1)Cc1cc(C#N)ccc1F 434981954 IWENSMIJDWMRRB-UHFFFAOYSA-N 278.714 3.576 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(F)cc1C#N 109784978 YROYYAYSZATMCA-LBPRGKRZSA-N 284.334 3.596 30 20 CHED C[C@H](CC(=O)NC1(C#N)CCCCC1)c1ccccc1F 102639468 WKTJAXUZOAOQTI-CYBMUJFWSA-N 288.366 3.662 30 20 CHED CC(C)(C)C1CCC(C/N=C(\N)Nc2ccccn2)CC1 178146615 WGKYMMDJBIJUCY-UHFFFAOYSA-N 288.439 3.661 30 20 CHED C#CCCSc1nc2ccccc2n1C(F)F 178165808 PRNYURSDIDZLFP-UHFFFAOYSA-N 252.289 3.547 30 20 CHED Cc1c(C(=O)NCCCCC#N)oc2c(Cl)cccc12 171509387 BBGDJXZJJIWXGD-UHFFFAOYSA-N 290.750 3.818 30 20 CHED N#Cc1ccc(OC(=O)C[C@@H]2CCc3ccccc32)cc1 115202021 AMJKVUSUNKAQAK-HNNXBMFYSA-N 277.323 3.584 30 20 CHED CCC[C@H](C(=O)N1CCc2c(C#N)cccc21)C(C)C 421657066 MSSPKWMUMAWIQT-AWEZNQCLSA-N 270.376 3.520 30 20 CHED CCc1cccc(CC)c1NC(=O)c1sccc1C#N 52028037 ZQZYYSGQPHSIFH-UHFFFAOYSA-N 284.384 3.997 30 20 CHED C=CCCC(=O)N[C@H](COc1ccccc1F)C(C)(C)C 112251562 OTALXGJVGCCKKV-OAHLLOKOSA-N 293.382 3.702 30 20 CHED CCN(CCc1cccs1)Cc1cc(F)ccc1C#N 468787976 BIHNVODJTHXAHJ-UHFFFAOYSA-N 288.391 3.823 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(F)cc2Cl)C1 116814504 KPWAKTRAPXKXRI-BONVTDFDSA-N 294.757 3.681 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1oc2ccccc2c1C 119172766 GADXVLMMWUQREP-CQSZACIVSA-N 298.386 3.905 30 20 CHED N#CCCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66851187 BCIFUOOYSBBVGJ-CQSZACIVSA-N 299.201 3.670 30 20 CHED C#Cc1cccc(N(C(=O)C[C@@H]2C=CCC2)C(C)C)c1 102909206 UJYPHUVPICAZEY-MRXNPFEDSA-N 267.372 3.766 30 20 CHED N#CCc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1 115205596 VDBIZWPWTMZOEE-INIZCTEOSA-N 290.366 3.811 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCCC2)C1 174260475 FFJHOBOFIVBBSF-AWEZNQCLSA-N 254.377 3.885 30 20 CHED CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cc1 172620592 CHAVNSCZXSDQEY-SFHVURJKSA-N 298.361 3.969 30 20 CHED C#CCCCNC(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 174301290 CJXOIWCHKCFKSC-SJLPKXTDSA-N 298.430 3.625 30 20 CHED C[C@H]1CC[C@@H](CCC(=O)O[C@@H](C)c2ccc(C#N)cc2)O1 175795922 FNLBCJUMCBGACM-XEZPLFJOSA-N 287.359 3.510 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccn1 27994404 IGWJZAPONHZXBX-UHFFFAOYSA-N 299.333 3.873 30 20 CHED C=CC[C@H](C)NC(=O)COc1ccccc1[C@@H](C)CC 116863158 ZJKWICQWOKFGHU-KBPBESRZSA-N 275.392 3.660 30 20 CHED C[C@@H](Nc1ccc(C#N)nn1)c1cccc2ccccc12 301930899 OIXLQCPRDYUMHD-GFCCVEGCSA-N 274.327 3.675 30 20 CHED C=CCC[C@@H](NC1CCN(Cc2ccccc2)CC1)C1CC1 119785260 LEXARRKOWYONSK-HXUWFJFHSA-N 298.474 3.985 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc(F)cc2C#N)C1 302160957 YINWCAWIZWLMHC-PXAZEXFGSA-N 281.334 3.680 30 20 CHED C=CCN(CC=C)C(=O)COc1cc(C(C)C)ccc1C 301145913 NRYNSLFUNOLXPJ-UHFFFAOYSA-N 287.403 3.698 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@@H](Nc2ccccc2)C1 301632608 DBFBHIOWIXBTPH-OAHLLOKOSA-N 295.361 3.778 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 126745853 QRGKBFKSUFHVKW-HNNXBMFYSA-N 285.391 3.848 30 20 CHED CCC1CCC(N(C)c2ccc(C#N)c(C)n2)CC1 311808872 GBVGWGUDNSZUKB-UHFFFAOYSA-N 257.381 3.667 30 20 CHED Cc1cccc(CCNc2snc(Cl)c2C#N)c1 301134985 YMLPXHRKGHESMZ-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CCOCCCCNc1cc(C#N)ccc1C(F)(F)F 121835676 TVPYNFGEZAGTPM-UHFFFAOYSA-N 286.297 3.806 30 20 CHED N#CCOc1cccc(NCc2cc(F)c(F)c(F)c2)c1 62706899 YLYVTPKJALOMJG-UHFFFAOYSA-N 292.260 3.618 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@H]1Cc1ccc(C)cc1 185790973 SVPVVCODMNPACY-KRWDZBQOSA-N 283.415 3.578 30 20 CHED Cc1ccccc1OCCNc1c(F)cc(C#N)cc1F 301128361 VVXJIRFBCPBDAF-UHFFFAOYSA-N 288.297 3.636 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(C)c(O)c2)c1 180972815 BAPYVDZKJPBXNH-UHFFFAOYSA-N 283.327 3.518 30 20 CHED C[C@H](CN[C@H](C)c1cccc(C#N)c1)Oc1ccc(F)cc1 181829747 OTSSYDXEWDVYNS-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)C1(C#N)CCC1)CCC2 125574064 LSZJJIZIOWOZNM-QGZVFWFLSA-N 296.414 3.997 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCS[C@@H](C(C)C)C1 181426579 NERPZDFLEVOSGN-UONOGXRCSA-N 284.469 3.514 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)Cc1cccc(OC(C)C)c1 125572594 KJKFJHDKKLDTHP-CQSZACIVSA-N 290.407 3.580 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C1CC1 77468562 LUHOJCFJRSAKFH-NSHDSACASA-N 289.404 3.707 30 20 CHED C[C@H]1C[C@@H](C(=O)N(C)c2ccccc2C#N)CC[C@H]1C 410579347 XHLOXVRXRWDEJD-RDBSUJKOSA-N 270.376 3.593 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)C[C@H](C)c1ccccc1 508931209 OBXXUJWHJUWSBM-AWEZNQCLSA-N 296.418 3.581 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccccc2Br)C1 185803565 HVFJDDDJMFYLSK-WCQYABFASA-N 293.208 3.621 30 20 CHED Cc1cc(N(C)Cc2cccc(C)c2C)cc(C#N)n1 488443602 VYGYDSOGEWGPDJ-UHFFFAOYSA-N 265.360 3.515 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 182678222 ISTQVFBGQUZYIR-CQSZACIVSA-N 274.408 3.570 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C1CC1)[C@@H](C)C1CC1 181096090 KBRURJQPFKOBEZ-STQMWFEESA-N 264.413 3.704 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc(OC)c1)c1ccccc1 121537588 OQGDKYSYZXDQAV-AWEZNQCLSA-N 281.355 3.994 30 20 CHED C#CCCCCC(=O)N(C)c1ccc(F)c(Cl)c1 128492435 FZFRQTPSWPSZFP-UHFFFAOYSA-N 267.731 3.636 30 20 CHED C=C(C)CN(CC)c1ncnc2sc3c(c12)CCC3 502096548 IMBUOAINHKMESR-UHFFFAOYSA-N 273.405 3.582 30 20 CHED C=C(C)[C@H](NCCCSC)c1ccc(F)c(F)c1 187783508 WTROIAAFRVZGDQ-AWEZNQCLSA-N 271.376 3.925 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)C(C1CC1)C1CC1 181384384 HKGOJNPNYHQYTI-LBPRGKRZSA-N 264.413 3.561 30 20 CHED Cc1nc(CNc2ccccc2O[C@@H](C)C#N)sc1C 182549946 LQVCFBUROUVPQB-JTQLQIEISA-N 287.388 3.663 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)OCC(C)(C)C#N 180099008 HEKCBDJURYHUMG-UHFFFAOYSA-N 294.354 3.764 30 20 CHED C#CCCCCNC(=O)Nc1ccc2oc(C)c(C)c2c1 186476016 UZAQNJYQDYNJJK-UHFFFAOYSA-N 284.359 3.975 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Br)cc1C 136166135 GSHNRUHJIQCVJW-CYBMUJFWSA-N 295.180 3.636 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)c1nc(C(F)(F)F)ccc1C#N 78833482 OSGQKXFUCCOKMG-PWSUYJOCSA-N 297.324 3.987 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 185013660 QTQZIZOXDROCIH-SFHVURJKSA-N 299.414 3.942 30 20 CHED CSc1cccc(NC(=O)c2cccc(F)c2C#N)c1 189382498 LIKVGUIAYUNUMW-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCC[C@H]2C2CC2)CCC1 412458625 CUVXMVKDXAPMEH-CABCVRRESA-N 261.409 3.675 30 20 CHED Cc1ccc(-c2nc(CNCC3(C#N)CCC3)cs2)cc1 418136094 BZLGXYXRDIFLOU-UHFFFAOYSA-N 297.427 3.902 30 20 CHED C=CCCCNc1cc(C[S@@](C)=O)ccc1Cl 77246180 ACODDGWQQWJERK-KRWDZBQOSA-N 271.813 3.597 30 20 CHED CC(C)c1ncc(CN(C)Cc2cccc(C#N)c2)s1 130746636 JKDNJERTIZULLV-UHFFFAOYSA-N 285.416 3.770 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/C[C@H](C)SC)cc1 130714336 XBYQIXGIVOQHMC-NEPJUHHUSA-N 279.453 3.678 30 20 CHED C=CC1CCN(Cc2cc(C)nc3ccccc23)CC1 605576586 CCWZNJTXUFHTIP-UHFFFAOYSA-N 266.388 3.941 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 412262026 VNDLJNZQWBJHJU-LSDHHAIUSA-N 277.795 3.916 30 20 CHED C[C@H]1C[C@H](CNc2cc(C#N)ccc2C(F)(F)F)CCO1 505708208 XLBOVQJVGLRQGC-CMPLNLGQSA-N 298.308 3.804 30 20 CHED CC(C)[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1F 500863958 HSNOFXFNTVEEBM-OAHLLOKOSA-N 294.345 3.718 30 20 CHED CSc1ccccc1C(=O)/C=C/c1c(C)noc1C 194594750 HMVQUSNFAXSSDJ-CMDGGOBGSA-N 273.357 3.909 30 20 CHED Cc1nc(C)c(N=C(O)CCC2CCOCC2)s1 329799175 IBKPTRUZOXHBLP-UHFFFAOYSA-N 268.382 3.555 30 20 CHED Cc1cc(-n2cccn2)ccc1NCCCC(C)(C)C#N 190861260 FSKRBCHNVYUBRZ-UHFFFAOYSA-N 282.391 3.923 30 20 CHED C#Cc1cccc(NCc2nc3c(s2)C[C@@H](C)CC3)c1 130531865 XSOQQNDRKXBDGU-LBPRGKRZSA-N 282.412 3.861 30 20 CHED Oc1ccccc1/C=N/CC1(c2ccc(F)cc2)CC1 48501889 OOVUIWGCVDXBRG-YBFXNURJSA-N 269.319 3.682 30 20 CHED C=CCCCC(=O)Nc1cc2c(cc1Cl)CCC2=O 191787328 QMKXYPXTNWMKIU-UHFFFAOYSA-N 277.751 3.764 30 20 CHED C=CCCCC(=O)N[C@H](COC)c1ccc(Cl)cc1 193512710 PVCNQBCUAACCRK-CQSZACIVSA-N 281.783 3.500 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2(c3ccccc3)CCC2)n1 48787546 QYFPGVOTRHGTDR-CQSZACIVSA-N 296.395 3.750 30 20 CHED CCN(C(=O)Cc1ccsc1)[C@H](C)c1ccc(C#N)cc1 45499062 UBODGKPDRUDNIU-CYBMUJFWSA-N 298.411 3.772 30 20 CHED N#CC1(C(=O)NC23CC4CC(CC(C4)C2)C3)CCCCC1 44384971 KQHANKQRIILNAR-UHFFFAOYSA-N 286.419 3.545 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(OC)c2F)cc1 195501875 UEJZLCZCMYDQAX-DHZHZOJOSA-N 286.302 3.739 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(F)c(Cl)c2Cl)C1 424208611 YEZZKMKDBLQAGK-WCBMZHEXSA-N 287.165 3.914 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CC1(O)CCCCCC1 190039674 KHTWVABDMMZFCQ-HNNXBMFYSA-N 286.419 3.636 30 20 CHED C=CCC[C@@H](NCC1(CC)CCOCC1)C1CC1 426339426 LJKDLZJKPRYLHM-OAHLLOKOSA-N 251.414 3.528 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(NC(C)=O)cc1Cl 424638845 KOJGWQSQNZNSOH-UHFFFAOYSA-N 294.782 3.839 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1cccc(C#N)c1 512233616 KNDZXOWSMODDET-UKRRQHHQSA-N 285.391 3.896 30 20 CHED CCSc1ccccc1OC(=O)c1cc(C#N)cs1 83942456 WXXLJHFOTAFRQU-UHFFFAOYSA-N 289.381 3.951 30 20 CHED CC(C)c1nc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cs1 424334554 VURXEJAUGFKQTP-SDDRHHMPSA-N 263.410 3.609 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2CCCc3ccccc32)C1 192591933 YHDIFABYYNBVTN-QRTARXTBSA-N 254.377 3.736 30 20 CHED C=C1CCN(C[C@@H](OC(C)C)c2ccccc2)CC1 428214817 GFKHENYWEKGRTB-QGZVFWFLSA-N 259.393 3.805 30 20 CHED CSCCSc1nc(C)cc(C(F)(F)F)c1C#N 192462981 YWOHILQCVIQHSU-UHFFFAOYSA-N 292.351 3.736 30 20 CHED N#Cc1sc(NCc2ccc(Cl)s2)nc1Cl 236039700 FVHUMJHEPHYQMK-UHFFFAOYSA-N 290.200 3.995 30 20 CHED CN(CCCC1(C#N)CCOCC1)[C@H]1CCC(C)(C)C1 337239031 MOPBOEPHUDFSCQ-HNNXBMFYSA-N 278.440 3.597 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2c(Cl)cccc2C1 424688862 SJYIIZYIKYQEMU-UHFFFAOYSA-N 277.795 3.827 30 20 CHED C[C@@H](CC1CCOCC1)N[C@H](CCC#N)c1ccccc1 90665103 NULWLJLMBJIYQG-MAUKXSAKSA-N 286.419 3.826 30 20 CHED CC(C)CC[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 236605090 LZCGWPXGKBNJHZ-HUUCEWRRSA-N 274.408 3.892 30 20 CHED COc1cnc(N=C(O)N(C)CCC2CCCCC2)s1 330485234 ANKCXKBIGLQJJO-UHFFFAOYSA-N 297.424 3.599 30 20 CHED CCO[C@@H]1C[C@H](/N=C(/O)C2CCC(=O)CC2)C1(CC)CC 330187744 UACDTXGCYICSHF-LSDHHAIUSA-N 295.423 3.686 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)C1 516231222 RMDBQBDQDQHVFN-YXXKGXSTSA-N 276.424 3.599 30 20 CHED COc1ccc2c(c1N=C(O)C1CCC(=O)CC1)CCC2 330066122 DNWGMVTWHOIMAR-UHFFFAOYSA-N 287.359 3.531 30 20 CHED C=CCCCNC(=O)Nc1cc(C)c(OC)cc1Cl 517777618 JKCVVMJLFHYDCC-UHFFFAOYSA-N 282.771 3.745 30 20 CHED C=C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 513488930 CJQXQFBYCPGZTB-UHFFFAOYSA-N 285.309 3.780 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1=CCCCC1 335089033 FAXGAJWFSGKKLB-CYBMUJFWSA-N 268.360 3.578 30 20 CHED CC(C)c1ocnc1CN[C@H](C)c1cccc(C#N)c1 1119294341 TZUTWJHRRNJGLL-GFCCVEGCSA-N 269.348 3.520 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H]2CC23CCCC3)cc1C#N 435358378 ZGFKJDDEUOPAHU-HNNXBMFYSA-N 298.386 3.864 30 20 CHED Cc1c(Br)cccc1CN(C)CC(C)(C)C#N 433310423 HVZLZUJIMKTOGY-UHFFFAOYSA-N 295.224 3.739 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 335192159 KWUJDPKKPYNFEI-NHAGDIPZSA-N 288.778 3.781 30 20 CHED O/C(=N/CCCC1CCCCC1)c1csc(O)n1 330970462 JMMHELHRWVPLBF-UHFFFAOYSA-N 268.382 3.514 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1S[C@@H]1CC[C@@H](C#N)C1 335231962 BSTDMNPVVYTPCX-PSASIEDQSA-N 297.305 3.756 30 20 CHED COc1cccc(CNc2c(C#N)cnc3ccccc23)c1 97454413 SPVDYZXXKWCLTF-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=CCCCCNC(=O)NCCc1ccc(SC)cc1 437777523 SZKHNNUFQIVOKG-UHFFFAOYSA-N 292.448 3.607 30 20 CHED C=CCC[C@H](NC[C@@H](C)N1CCCC[C@H]1C)C1CC1 439091908 XJSMQNMLKSJNAB-INMHGKMJSA-N 264.457 3.584 30 20 CHED C=CC1CCN(C(=O)c2cc(F)ccc2Cl)CC1 340159108 DEUHDCSDMMVFNM-UHFFFAOYSA-N 267.731 3.517 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 246599506 QJUSMPXEIAFHEY-UPJWGTAASA-N 282.343 3.830 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(Cl)c2F)ccc1F 348634617 WRUYVMRRNHAWFX-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccsc1 619786737 LLVSETNSMUTFCE-NSHDSACASA-N 285.372 3.697 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@H]2CCCC[C@H]2C)C1 522647247 BLRCJYOIDMPMFS-ANQUJSFKSA-N 276.424 3.791 30 20 CHED CN(CCCSCC#N)C1CCC(C(F)(F)F)CC1 344133141 PMEFWTKFIRWRSU-UHFFFAOYSA-N 294.386 3.686 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(SC)CC1 348871570 YBBUPGTUDCHESZ-UHFFFAOYSA-N 293.480 3.738 30 20 CHED CC(C)OCc1ccc(C(=O)Nc2ccccc2C#N)cc1 341207690 RCBCNWHAIJZOTK-UHFFFAOYSA-N 294.354 3.736 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 249029730 BBAUFPUITBYGGF-UMVBOHGHSA-N 269.454 3.721 30 20 CHED CCC[C@@H](C)NCc1cccc(OCCCC#N)c1 608860281 JCSANKMOMZZCKY-CQSZACIVSA-N 260.381 3.647 30 20 CHED CCN(Cc1ccc(Cl)cc1)c1ccc(C#N)cn1 346557785 ZCPWVLCUXCKUMB-UHFFFAOYSA-N 271.751 3.633 30 20 CHED O=[N+]([O-])c1ccc(CON=Cc2ccc(Cl)cc2)cc1 255868314 KYFKTZIZXARQPL-UHFFFAOYSA-N 290.706 3.799 30 20 CHED C=CCn1c(C)nnc1SCc1cnc2ccccc2c1 345353151 RYEXDKHOKDMTGQ-UHFFFAOYSA-N 296.399 3.613 30 20 CHED CC(C)(CCC#N)CNC(=O)Cc1cccc(C(F)F)c1 345889926 QSQXNVBKJHRRAS-UHFFFAOYSA-N 294.345 3.613 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2CC2(C#N)CC2)c1 347485196 RLGHRLMTDCRSGS-MRXNPFEDSA-N 254.377 3.744 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1cc(C#N)ccn1)CCC2 340957992 BUSXGEOVLRHCHQ-MRXNPFEDSA-N 263.344 3.751 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)Cc1c(Cl)cccc1Cl 608822324 CKRTVBMRVUJZJW-JTQLQIEISA-N 299.201 3.590 30 20 CHED C=CCCC(=O)NCC1(c2ccccc2)CCCC1 523950190 CMKKZTVVTOEMCK-UHFFFAOYSA-N 257.377 3.581 30 20 CHED CN(CCC1CCCCC1)C(=O)[C@@]1(C#N)CC12CCCC2 448862126 RWAUACWRGJQACC-SFHVURJKSA-N 288.435 3.889 30 20 CHED CN(Cc1cccc(F)c1Br)CC(C)(C)C#N 449340154 MYZBIJFHSGYYQW-UHFFFAOYSA-N 299.187 3.570 30 20 CHED N#CCN1CCC(CCc2cccc(C(F)(F)F)c2)CC1 603857933 ZTJCAVWANYZELS-UHFFFAOYSA-N 296.336 3.874 30 20 CHED COCc1ccc(NCc2cc(C)c(O)c(C)c2)cc1C#N 529643057 IDNXVNWBQAQFMV-UHFFFAOYSA-N 296.370 3.639 30 20 CHED C=CCCC(=O)NC[C@H](CC)Oc1cccc(Cl)c1 440624410 IWDKJJBLJXICLH-ZDUSSCGKSA-N 281.783 3.580 30 20 CHED C=CCN(Cc1cccs1)C(=O)C12CCC(CC1)C2 448135882 YIRLIUPCLVGCIH-UHFFFAOYSA-N 275.417 3.843 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1cccc(F)c1F 602583431 WKNDLSZRJAJVOF-MNOVXSKESA-N 252.308 3.555 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)CC(C)(C)C#N 353959154 JKTANFSWXFYGLE-UHFFFAOYSA-N 272.392 3.611 30 20 CHED CC(C)(C)[C@@H](NCc1cccc(C#N)n1)c1ccccc1 602508454 MWKNNPDKDKFGKY-KRWDZBQOSA-N 279.387 3.830 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 448927922 ZFNVQEJVQCDCRJ-KCPJHIHWSA-N 290.794 3.847 30 20 CHED C=CC[C@H]1N(CCc2ccccn2)CCCC1(C)C 444782835 RIZYWTJNBQGHIN-MRXNPFEDSA-N 258.409 3.691 30 20 CHED C=CCCNc1ccc(-n2nc(C)cc2C)c(F)c1 354339598 MGUMOTZJYBPTOF-UHFFFAOYSA-N 259.328 3.616 30 20 CHED CC[C@@H]1C[C@H](C)CN1Cc1cccc(OCCCC#N)c1 537625273 WPJRGNMWHVMUMK-DOTOQJQBSA-N 286.419 3.990 30 20 CHED N#Cc1cc(CN[C@H](c2ccccc2)C2CCC2)ccn1 610993625 XBQPBLVULPGTRN-GOSISDBHSA-N 277.371 3.584 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2ccc(OC)cc2[nH]1 537233175 WWCFPVUJKDVAKJ-GFCCVEGCSA-N 286.375 3.651 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(NC(=O)c3ccco3)cc2)C1 442858446 HZDRLNJCVIECCB-SWLSCSKDSA-N 295.342 3.636 30 20 CHED Cc1cc(C)cc(C2(C(=O)NCC(C)(C)CCC#N)CC2)c1 359761260 BLHGIWLQMQXQMI-UHFFFAOYSA-N 298.430 3.781 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1nc(C(C)(C)C)cs1 353317838 XFDBUXZCDIMGAT-JTQLQIEISA-N 293.436 3.558 30 20 CHED N#Cc1ccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)cc1 445563211 BLSJMKQCQCYEKM-UHFFFAOYSA-N 294.329 3.659 30 20 CHED CCC(CC)CN(CCC#N)Cc1nc(C)sc1C 443618309 ZQZIMDQHRVHAEA-UHFFFAOYSA-N 279.453 3.912 30 20 CHED CCc1cccc(Cl)c1CN[C@@H](CC)CC#N 354924258 DFPUJTGWULLZBK-LBPRGKRZSA-N 250.773 3.684 30 20 CHED C=CCN(C(=O)c1csc2ccccc12)[C@@H](C)COC 617575732 DAWRBZCAVBYYSA-LBPRGKRZSA-N 289.400 3.564 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3ccc(OC)cc3[nH]2)C1 617786966 DTXSXUBLTFSDRO-CYBMUJFWSA-N 298.386 3.605 30 20 CHED CCCCN(C(=O)c1ccc(Cl)c(C#N)c1)C1CC1 537582962 VZNJWFHAZHRKSZ-UHFFFAOYSA-N 276.767 3.616 30 20 CHED C=CCN(Cc1ccc2nc[nH]c2c1)Cc1ccccc1F 536655967 RGHWXKXOLBXRHX-UHFFFAOYSA-N 295.361 3.890 30 20 CHED COc1ccccc1C(C)(C)CNc1nc(C)ccc1C#N 611227211 PATMCYSWKAUPJV-UHFFFAOYSA-N 295.386 3.660 30 20 CHED CCn1c(=NCC(C)(C)CCC#N)[nH]c2cc(C)ccc21 618889491 VWBXTHPDXWURFH-UHFFFAOYSA-N 284.407 3.528 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(OCC#N)cc1 266589689 LVAXMYFHQJIHIX-QGPMSJSTSA-N 284.403 3.742 30 20 CHED C=CCC1(C(=O)N2CCC(Cc3cccnc3)CC2)CCC1 365086085 MUZSZFAOYDPUDY-UHFFFAOYSA-N 298.430 3.609 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@H](C)C(C)C)c1ccccc1 536085465 NHAPGTTYBJXSSE-CABCVRRESA-N 259.393 3.849 30 20 CHED Cc1nc(CCN[C@@H]2CCCc3cc(C#N)ccc32)cs1 611390710 QBICAXNWZFRZIX-QGZVFWFLSA-N 297.427 3.533 30 20 CHED C[C@H](C#N)CN(C)[C@@H](C)c1cccc(Br)c1 268910196 MVKHHMVQKUEBCU-MNOVXSKESA-N 281.197 3.602 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CC[C@H](C)C2)c1 455948802 CEFPCEWROGRUKB-NHYWBVRUSA-N 271.364 3.519 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C)c1cccnc1 362387912 CEIQGKRHQUJYKG-CYBMUJFWSA-N 298.411 3.851 30 20 CHED C=CCCCC[C@H](C)NCc1ccc([S@@](C)=O)cc1 611347194 NNEJKQHLDGGQLM-IFXJQAMLSA-N 279.449 3.649 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)CC[C@H]2N(C)C 456305314 HWUVJVVVYWNYJR-AEFFLSMTSA-N 286.419 3.776 30 20 CHED CC#CCN(C)C(=O)Nc1cccc(OCCC(C)C)c1 454607083 LLAFSKXWGIRAFF-UHFFFAOYSA-N 288.391 3.599 30 20 CHED C[C@@H](N[C@@H](CCO)C1CCCCC1)c1ccc(C#N)cc1 271829941 DUZOZLGWJYTPBI-KDOFPFPSSA-N 286.419 3.540 30 20 CHED C[C@H](CCc1c(F)cccc1F)NCC(C)(C)CC#N 459725616 DHNWDTNKKZRTIP-GFCCVEGCSA-N 280.362 3.815 30 20 CHED Cc1cccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1C 610364330 QJWCCSGAQCRRBJ-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)CCCC2=O 455712798 LDUWNFPQFNEXJH-ZDUSSCGKSA-N 286.375 3.682 30 20 CHED Cc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 619748510 GXEYNFIYAWFRSR-UHFFFAOYSA-N 270.763 3.810 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(F)cc2C#N)C1 364104626 UQZPPRVYWJTGEI-ACJLOTCBSA-N 295.361 3.675 30 20 CHED CCO[C@@H]1CCC[C@H]1NCc1ccccc1C(C)(C)C#N 452012830 ILWRJVYSMQYDMF-IAGOWNOFSA-N 286.419 3.535 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1c(C)cccc1C 546209736 KWQACOZZYQFCOE-HNNXBMFYSA-N 274.408 3.972 30 20 CHED Cc1ccc2ccccc2c1CN(CC#N)C1CC1 361553406 PGDUPNWQNNLPON-UHFFFAOYSA-N 250.345 3.636 30 20 CHED C[C@H](N[C@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 271426777 CVEFAZHLJSDQMO-LIRRHRJNSA-N 292.382 3.927 30 20 CHED C=CCOCCNC(C)(C)c1ccc(OCCC)cc1 549614049 VGBWFJDOCMERKB-UHFFFAOYSA-N 277.408 3.503 30 20 CHED CCOc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 271908070 CPYLFRIPUXOAIF-CYBMUJFWSA-N 298.361 3.947 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(CC#N)cc1 270334992 MVYDJEZAIVPLLH-RHSMWYFYSA-N 284.403 3.793 30 20 CHED C=CCCN(C)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 276333325 FBTGKNKGFYNHEI-UHFFFAOYSA-N 299.418 3.811 30 20 CHED C=C(C)COCCNC(=O)Nc1cc(C)cc2ccccc12 455734075 GHASLZPVTWYMHW-UHFFFAOYSA-N 298.386 3.862 30 20 CHED C[C@@H]1C[C@H]1[C@@H](Nc1nccc(C#N)n1)c1ccc(Cl)cc1 450358467 SBTHFXZVFGXBJX-KMUNFCNLSA-N 298.777 3.811 30 20 CHED C=CCOCCN[C@H](c1ccc(F)cc1)C(C)(C)C 549898955 LOYINDAUEYOAPY-OAHLLOKOSA-N 265.372 3.705 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cnccc1C 271604483 VWUXXLQPYAEMQE-HNNXBMFYSA-N 282.387 3.806 30 20 CHED C[C@H](NC(=O)N(C)CC(C)(C)C#N)[C@@H](C)C1CCCCC1 458502880 KAWDIHKSDXCPBM-KGLIPLIRSA-N 293.455 3.782 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)CCc1ccc(C#N)cc1 452547962 JZPYLFWHHGTJRM-OAHLLOKOSA-N 284.403 3.742 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)NCC(C)(C)C#N 458635193 AXAPTRFUOMLPLZ-YCPHGPKFSA-N 299.418 3.512 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)CC(=O)Nc1cccc(C)c1 545979714 USTPKGSQZZFHTN-LSDHHAIUSA-N 274.408 3.656 30 20 CHED C=CCC[C@H](CCC)NCC[C@@H]1CCO[C@@H](C)C1 542488219 CLXVAPSATGESEJ-XHSDSOJGSA-N 253.430 3.916 30 20 CHED C=CCCN(C)C(=O)c1ccc(Cl)cc1Cl 276365807 JSIJVEUKESLLBD-UHFFFAOYSA-N 258.148 3.642 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCCC(F)(F)CC1 624829006 ACPQYBQOEHLVKZ-LBPRGKRZSA-N 298.381 3.603 30 20 CHED C=CCC[C@@H](NC[C@H](OC)c1cccc(OC)c1)C1CC1 624031691 QREDWQGOFXWAIN-MSOLQXFVSA-N 289.419 3.717 30 20 CHED C=CCCC(=O)NCC(C)(C)c1c(F)cccc1Cl 464145835 LXKSXXQVJWFIEC-UHFFFAOYSA-N 283.774 3.839 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 270411537 LNOCRDMUUNMBPM-QZTJIDSGSA-N 296.414 3.725 30 20 CHED Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1c(C)cccc1C 545454779 NDIGIMJEHBRBPR-OAHLLOKOSA-N 292.382 3.975 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccccc1C)C1CC1 466434499 KXFQQSFGSGEWMW-SFHVURJKSA-N 269.388 3.756 30 20 CHED CC1CC(C#N)(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)C1 548641330 FURBZVZIRULYAW-KZGIRGLMSA-N 296.414 3.853 30 20 CHED CCN(CC#Cc1cccc(Cl)c1)CCC1CC1 546934481 YAMMURLPRXTMFU-UHFFFAOYSA-N 261.796 3.814 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)[C@@H]2CCCC[C@H]12 542969162 KQIGJSLRLJGMCP-KBRIMQKVSA-N 254.377 3.569 30 20 CHED C=CCN(C)C(=O)c1sc(C2CCCCC2)nc1C 547963550 FDNCJRNQKOJXLZ-UHFFFAOYSA-N 278.421 3.757 30 20 CHED FC(F)(F)c1ccc(C#CCN[C@@H]2C[C@H]3CC[C@H]2C3)cc1 540186430 BVYORGUVXSNJAR-OFQRWUPVSA-N 293.332 3.835 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)c1 542318644 WEMDQCUVBKSGAZ-QGZVFWFLSA-N 294.373 3.995 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C(C)(C)C 622944091 DGVJXIJFMLLSTB-TZMCWYRMSA-N 293.357 3.881 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 281291259 IJORGCADZJUXKA-SDDRHHMPSA-N 297.320 3.678 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(NC(C)(C)C)cn2)no1 289663883 KNFCWQGYCOYMRN-UHFFFAOYSA-N 298.390 3.643 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccccc1)C(F)(F)F 462822047 NJCZAXKPAOCLRF-SOUVJXGZSA-N 299.336 3.861 30 20 CHED N#Cc1ccc(NC(=O)NC[C@@H]2CCCC(F)(F)C2)cc1 282643702 DCECTLNBEJYZBL-GFCCVEGCSA-N 293.317 3.505 30 20 CHED C[C@@H]1C[C@H](NCC2(C#N)CC2)C[C@@H](c2ccccc2)C1 555709784 LMXJJXAVEHIMCD-XIRDDKMYSA-N 268.404 3.852 30 20 CHED C=CC[C@H](CC)N[C@@H](C)CC(=O)Nc1ccccc1C 281709701 TYYIYAUYFSPGBJ-GJZGRUSLSA-N 274.408 3.656 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC2(CCCC2)c2ccccc21 287618648 SUHYROWRXWZTNW-QGZVFWFLSA-N 282.387 3.785 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C)[C@@H](C)C1 555270691 IDLVCGBTLACOLX-ILXRZTDVSA-N 290.455 3.850 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 466407432 PJGKAAUCGZXWMW-VBQJREDUSA-N 278.440 3.951 30 20 CHED Cn1cc(-c2nc3cccc(Cl)c3s2)cc1C#N 478245087 ADKHWUOOERDIAB-UHFFFAOYSA-N 273.748 3.827 30 20 CHED CCC(=O)c1ccccc1NC(=O)[C@]1(C#N)CC12CCCC2 637702716 XJHIAISXLOPUMS-GOSISDBHSA-N 296.370 3.692 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 476026355 NEYCFYXEHQLCFF-VQIMIIECSA-N 298.430 3.844 30 20 CHED CC#CCN(C)Cc1csc(Nc2ccccc2C)n1 550128284 WJNXOJFJZLXKNA-UHFFFAOYSA-N 285.416 3.650 30 20 CHED O=C(/C=C/c1cncs1)c1c(F)cccc1Cl 809158443 AKRLROKVMTVWCI-SNAWJCMRSA-N 267.712 3.832 30 20 CHED C#CCOc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1 806177607 DNKDKBWNAROMPJ-OAHLLOKOSA-N 284.403 3.679 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCCCS1 805219281 DEBQMDLIADEBOK-ZDUSSCGKSA-N 255.427 3.525 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2c(F)cccc2Cl)nn1 809158758 DDQKTJCTNGIWBL-SREVYHEPSA-N 293.729 3.548 30 20 CHED C=CC(C)(C)C(=O)N(C)CCc1ccc(Cl)cc1 294929212 LJOYCVIXQLQZCR-UHFFFAOYSA-N 265.784 3.553 30 20 CHED Cn1cnc(/C=C/C(=O)c2cccc(-c3ccccc3)c2)c1 800793306 JLFLRVGMLNAVHR-ZHACJKMWSA-N 288.350 3.983 30 20 CHED Cc1ccccc1C1(C(=O)NCCCCC#N)CCCC1 290657638 FYEHCEWMLKTELE-UHFFFAOYSA-N 284.403 3.617 30 20 CHED C#CCn1ccc(CN(CC)CCCC2CCCCC2)n1 809656471 WTEAGTVSMSUDNT-UHFFFAOYSA-N 287.451 3.699 30 20 CHED CC[C@H](OC(=O)CCCCCC#N)C(=O)c1ccccc1 805697806 HOBJIBPTOKZIBZ-HNNXBMFYSA-N 287.359 3.665 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCC#N 292463807 YBVCWHIXWBELSS-SJORKVTESA-N 284.403 3.865 30 20 CHED CC(C)(C)c1cccc(C(=O)NC2(C#N)CCCCC2)c1 564342160 GTHJODWVURBKPQ-UHFFFAOYSA-N 284.403 3.940 30 20 CHED CCN(CCc1ccncc1)[C@@H](C)c1ccc(C#N)cc1 299078526 FCTKCVRESWHETM-HNNXBMFYSA-N 279.387 3.579 30 20 CHED C=C(CC)COC(=O)[C@H](C)Cc1cncc2ccccc12 805681641 GHCZCHIAJMDREM-CQSZACIVSA-N 283.371 3.923 30 20 CHED C=CCn1c(SCC2=CCCC2)nnc1-c1ccco1 647116125 RZYGBMKZWVMBFV-UHFFFAOYSA-N 287.388 3.927 30 20 CHED C=CCC(C)(C)c1noc(-c2csc(C3CC3)n2)n1 560029373 PPKCWGCMLMHTNC-UHFFFAOYSA-N 275.377 3.924 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccc(CC#N)cc1 399061290 LSBVXCAQLOZOPE-UHFFFAOYSA-N 276.339 3.820 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(CC)CCO[C@H](C)C#N 801924540 WSMUXLJLOAOPSU-AEFFLSMTSA-N 288.435 3.567 30 20 CHED c1cc2c3c(c1)C(=NOCCC1CC1)CC[C@H]3CN2 814941679 QJDLDYNIEIZTIM-LBPRGKRZSA-N 256.349 3.510 30 20 CHED N#CCc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc1 565821050 VQWZFKLEOYZRLJ-DOTOQJQBSA-N 297.402 3.700 30 20 CHED COc1cccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 568776630 WOQZDFNXCRYADC-DJJJIMSYSA-N 292.382 3.905 30 20 CHED C=CCC(C)(C)c1noc(Cc2cc(F)c(F)cc2F)n1 568117092 WDRJGVXYFWKOKF-UHFFFAOYSA-N 296.292 3.931 30 20 CHED C=CCN(CCc1ccco1)c1ncnc2cccc(F)c12 486625921 HBRMJIKKLWIQJC-UHFFFAOYSA-N 297.333 3.597 30 20 CHED Cc1ccoc1CN(C)c1c(Cl)cccc1C#N 488785846 PGVKMZQPGZNJFJ-UHFFFAOYSA-N 260.724 3.750 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1ccc(OCC)cc1 814115842 MTRZICZDWKSYKW-UHFFFAOYSA-N 261.365 3.650 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCc4ccccc4C3)CC2)c1 560072022 VKSAUBHMEBPEPW-LJQANCHMSA-N 288.394 3.694 30 20 CHED CCc1ccc(C#CC(=O)Nc2cccc3cc[nH]c23)cc1 816175132 IDBOBOKKDFNGRP-UHFFFAOYSA-N 288.350 3.721 30 20 CHED CCOc1ccc(NN=Cc2c[nH]c(C(F)(F)F)c2)cc1 814985278 ZPYBRAMFEGFGAL-UHFFFAOYSA-N 297.280 3.878 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccccc1C#N 814686448 HFOYILHHJCYHCM-UHFFFAOYSA-N 271.270 3.673 30 20 CHED C=CCCCCNC(=O)N1CCC(c2ccsc2)CC1 486262490 VJLDRYLSYSXRHD-UHFFFAOYSA-N 292.448 3.993 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)cc3c2OCC3)n1 578679137 ZGKZDAOGWMWJGW-UHFFFAOYSA-N 290.750 3.834 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1Cl 488837715 LJHALIQMTIGORS-STQMWFEESA-N 293.794 3.674 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 573602855 STLTZOKZEHDRFN-DVOMOZLQSA-N 264.413 3.599 30 20 CHED C=C(CC)COC(=O)c1ccc(OC(F)F)c(F)c1 815483433 DLFTWCQATQFQFU-UHFFFAOYSA-N 274.238 3.550 30 20 CHED CC(C)[C@@H](Sc1ccc(C#N)cc1)C(=O)NC(C)(C)C 488842895 KUJBCZPXUPARMN-CQSZACIVSA-N 290.432 3.590 30 20 CHED C=CCCCCN[C@H](C)c1nc(Cc2ccccc2)no1 578572173 WSVHSLYDSGJPKA-CQSZACIVSA-N 285.391 3.667 30 20 CHED C=CC[C@@H](C)N[C@H](c1ccc(OC)cc1)c1ccccn1 652166394 QNRQKLPQRJPSAT-RDTXWAMCSA-N 282.387 3.734 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 823894417 PNWREMRLFRFFER-UONOGXRCSA-N 299.422 3.652 30 20 CHED C=C(CC)CNCc1cc(C)cc(Br)c1O 825220987 CBPAALMDQICOOS-UHFFFAOYSA-N 284.197 3.519 30 20 CHED C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(CC#N)cc1 495107099 XUMOUHXGASLWHB-NSHDSACASA-N 298.308 3.604 30 20 CHED N#Cc1cc(N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)ncn1 578604614 WYOOSMGSGVXUNO-JSGCOSHPSA-N 298.777 3.750 30 20 CHED O=C1/C(=C/c2ccc3c(c2)OCCO3)CCc2sccc21 726891273 HXMSRTUVNRGLAY-FMIVXFBMSA-N 298.363 3.732 30 20 CHED C=CCCNC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 661569183 HQCYRVWYJFIKBR-JKSUJKDBSA-N 272.392 3.588 30 20 CHED C=CCOCCCN1CC[C@](F)(c2cccc(Cl)c2)C1 669942926 JACRWRUZPHYYAL-MRXNPFEDSA-N 297.801 3.803 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(C2OCCO2)cc1 823851605 RAMVLLGOLCTFDS-OAHLLOKOSA-N 289.419 3.957 30 20 CHED N#CC1(CCCCOC(=O)C2CC3(CCC3)C2)CCC1 909407749 QQXPQRKAFJANKA-UHFFFAOYSA-N 275.392 3.974 30 20 CHED C#C[C@@H](C)N(C)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 491812287 NMTSEOILZKPDER-VXGBXAGGSA-N 297.320 3.679 30 20 CHED C=C(CC)CN[C@@H](CO)c1cccc(Cl)c1Cl 662049914 CBQZSSNISWFZNH-LBPRGKRZSA-N 274.191 3.583 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)c1ccc(C(=O)O)cc1 825664466 AJRZDEPKVJXGBN-LBPRGKRZSA-N 288.343 3.757 30 20 CHED Cc1c(C(=O)N[C@@H]2CC=CCC2)sc2ccc(C#N)cc12 584669075 FURZAGGZZLEANT-CYBMUJFWSA-N 296.395 3.920 30 20 CHED CC(C)C[C@@H](C)CN1CCO[C@H](c2cccc(C#N)c2)C1 499586307 BKDWXLVICMOCCD-QAPCUYQASA-N 286.419 3.614 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](C)c2ccsc2)cc1 669867589 YDEIHCZIUKXQKQ-GFCCVEGCSA-N 287.384 3.804 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccccc1N1CCCCCC1 491727018 GYLMVQYOOTWAJK-OAHLLOKOSA-N 299.418 3.552 30 20 CHED Cc1ccc(C(=O)/C=C\c2cncn2C(C)C)s1 901437750 CXRUFCZWOLQTHN-WAYWQWQTSA-N 260.362 3.730 30 20 CHED CC(C)c1cnc(CN(C)[C@@H](C)c2cccc(C#N)c2)o1 823617710 LFVUUKYCDACPHI-ZDUSSCGKSA-N 283.375 3.863 30 20 CHED C[C@H]1COCC[C@H]1Nc1ccc(OC(C)(C)C)c(C#N)c1 824722150 OFBJTUDUYCGLDR-SWLSCSKDSA-N 288.391 3.572 30 20 CHED C=CCC1(NCCc2nc(-c3ccccc3)no2)CCCC1 661848639 LRIGBNNTSPPLCE-UHFFFAOYSA-N 297.402 3.758 30 20 CHED O=C(/C=C\c1ncc(-c2ccccc2)[nH]1)c1cccc(O)c1 588598885 ASGZKUMYWMTGCX-KTKRTIGZSA-N 290.322 3.678 30 20 CHED C=CCNC(=S)Nc1ccccc1S[C@H](C)CC#N 731321666 QENZQHMZTPPUSH-LLVKDONJSA-N 291.445 3.553 30 20 CHED C[C@@H](N(C)c1snc(Cl)c1C#N)C(C)(C)C 733186288 DMVHZMAETKUUPS-SSDOTTSWSA-N 257.790 3.539 30 20 CHED CC[C@H](NCC(C)(C)CCC#N)c1cccc(C#N)c1 902990354 VPUYPPQWDJBDKC-INIZCTEOSA-N 269.392 3.929 30 20 CHED COc1cc(Cl)cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 839063942 VAUGARPEEHWLEN-GXFFZTMASA-N 293.750 3.588 30 20 CHED C[C@H](NC(=O)NC[C@@H](C)C(C)(C)C)c1ccc(C#N)cc1 734527110 XOEYKCOELKMOJF-OLZOCXBDSA-N 287.407 3.601 30 20 CHED COc1cccc2c1CC/C(=C/c1cccnc1C)C2=O 588618399 QLMRQKGZRAXFLG-KAMYIIQDSA-N 279.339 3.611 30 20 CHED CC(C)OC(=O)CCC/N=C\c1c(O)ccc2ccccc12 588467479 LSTASQAIZHBKGN-UNOMPAQXSA-N 299.370 3.696 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H](O)CCCCC 831814847 RUNWVGHESJJMLN-INIZCTEOSA-N 275.392 3.685 30 20 CHED COC(=O)c1cccc(NN=C2CCC[C@@H]2CCF)c1F 835019478 XKGCMQQIYFDKJR-SNVBAGLBSA-N 296.317 3.540 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCn2ccc3ccccc32)C1 839045967 ZHKAVYQGAGIZEH-HOCLYGCPSA-N 296.370 3.657 30 20 CHED CC(C)(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 839055851 KXEJZEICGGYWBJ-UKRRQHHQSA-N 271.360 3.590 30 20 CHED Clc1ccc(CNN=Cc2cccnc2)c(Cl)c1 914696631 FZTZVFBASKOTKJ-UHFFFAOYSA-N 280.158 3.512 30 20 CHED C=CC[C@@H](NC(=O)c1cccc(OCC)c1)c1ccncc1 734234059 GCNSORNTIKPLJU-QGZVFWFLSA-N 296.370 3.528 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc3c(c1)OCCO3)C2 730948243 AKAYDIIZDXMLFK-DHDCSXOGSA-N 292.334 3.589 30 20 CHED C#Cc1ccc([C@@H](OC(=O)[C@@H](C)CC)C(F)(F)F)cc1 836081100 QCLKWKDYTLKLGK-GXFFZTMASA-N 284.277 3.861 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2cc(C(F)(F)F)ccn2)C1 834984642 XGYVOBUFCROEST-NXEZZACHSA-N 271.286 3.934 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(N2CCCC2)c(F)c1 836311727 PGQZRJKKPFDFFY-UHFFFAOYSA-N 291.370 3.514 30 20 CHED CC(C)(CCC#N)CNC(=O)C1[C@H]2CCCCCC[C@H]12 597661801 UCVNBWYOEQSSFL-KBPBESRZSA-N 276.424 3.649 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCOC(C2CC2)(C2CC2)C1 595822153 NUROLVMJYDDJJE-CQSZACIVSA-N 296.414 3.510 30 20 CHED COc1nccc(/C=C2/C(=O)c3ccccc3[C@H]2C(C)C)n1 834438690 YXJULDZWPFWUHF-AAGJOFLKSA-N 294.354 3.505 30 20 CHED N#Cc1cnc(Oc2cccc3c2CCCC3)c(F)c1 591150912 RSQOWUDTLJHTLC-UHFFFAOYSA-N 268.291 3.763 30 20 CHED C=CCOc1ccc(OC(=O)Cc2ccccc2C)cc1 742862461 HADULLIKCBDDOP-UHFFFAOYSA-N 282.339 3.708 30 20 CHED N#CC[C@@H]1CCCN(CCCc2ccc(Cl)cc2)C1 595615399 QQVYKWWGFUHRKA-HNNXBMFYSA-N 276.811 3.898 30 20 CHED CCOc1ccc(N(C)CCCC(C)(C)C#N)cc1 746672769 IWCHUMKFXCKAFN-UHFFFAOYSA-N 260.381 3.851 30 20 CHED C=CCOc1ccccc1C(=O)NCCCCCC 913479207 VTKNVSUGWTVBLY-UHFFFAOYSA-N 261.365 3.562 30 20 CHED C=CCCCC(=O)OCC(=O)c1ccc2ccccc2c1 748240097 LTHNUDDSOQJWAQ-UHFFFAOYSA-N 282.339 3.922 30 20 CHED C=C(C)CONC(=O)N[C@@H](CC)c1ccc(Cl)cc1 844284843 LTDWWIDXSBTNRI-ZDUSSCGKSA-N 282.771 3.598 30 20 CHED C[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 593998571 MBNYFZKEPGDQJA-PMPSAXMXSA-N 298.430 3.631 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)Oc2cccc(OCC#N)c2)C1(C)C 841342902 RLMAONXARVGZIB-HOTGVXAUSA-N 299.370 3.733 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCc3ccc(F)cc32)c1 748270191 UPUJQWIQNFPCTB-QGZVFWFLSA-N 284.309 3.614 30 20 CHED CCC[C@@H](C)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940267 AKXNJNHABJBZRS-MWLCHTKSSA-N 262.378 3.633 30 20 CHED CCC(CC)(C/N=C\c1ccccc1O)SC 743044656 NVTGPVQVSMSCGJ-GDNBJRDFSA-N 251.395 3.733 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1nc(Cl)c(C#N)s1 841223239 HNELTWMMFAYHAA-DTWKUNHWSA-N 297.811 3.823 30 20 CHED Cc1ccc(CCN[C@@H]2CCC[C@@H](C#N)C2)cc1C 595073287 RLNTVASZZXDVBZ-IAGOWNOFSA-N 256.393 3.518 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC(C)(C)C[C@H]2C)cc1 840970793 WVBFADVXNGKRHO-KGLIPLIRSA-N 272.392 3.598 30 20 CHED CSc1cc(C)c(C(=O)N(CCC#N)CC(C)(C)C)o1 597161007 NYDCGJSIVCLYKJ-UHFFFAOYSA-N 294.420 3.712 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Oc2ccc(C#N)cc2)C1 749784835 QSXBOBKWEBDPMY-JSGCOSHPSA-N 257.333 3.680 30 20 CHED C=C(C)CONC(=O)c1cc2ccc(C(C)C)cc2[nH]1 846537156 CGCGXFIJBLRJEM-UHFFFAOYSA-N 272.348 3.529 30 20 CHED COc1cccc2c1CN([C@H](C)c1cccc(C#N)c1)CC2 590760133 WVAZCADQCFZEFU-CQSZACIVSA-N 292.382 3.686 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCCc1ccccn1 591100667 NEHMXTVFYZJNBN-UHFFFAOYSA-N 294.398 3.619 30 20 CHED C=CCCOCc1nc(C(C)(C)C2=CCCCC2)no1 683605959 QQROLJVINLVERM-UHFFFAOYSA-N 276.380 3.940 30 20 CHED CCCCCCCCOC(=O)c1cccnc1OC 919058675 JQPGQPJZRGTMBG-UHFFFAOYSA-N 265.353 3.608 30 20 CHED Cc1cc2cc(C(=O)N(C3CC3)[C@H](C)C#N)oc2cc1C 598129981 AHUJVPAUKMLSMH-GFCCVEGCSA-N 282.343 3.566 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)c1cc2ccccc2n1CC#N 591008352 BJCHLZZAVLTIMY-CYBMUJFWSA-N 295.386 3.568 30 20 CHED C=CCC1(C(=O)N(CC)CCC(F)(F)F)CCC1 682889586 VZHKAHXJRUXUOR-UHFFFAOYSA-N 263.303 3.534 30 20 CHED CC(C)Cc1c[nH]c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 591066819 WTTOGVYPUNGOIY-ZDUSSCGKSA-N 295.386 3.576 30 20 CHED CC[C@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CCCC1 594039704 HZPDDOKRKYLHQT-KSSFIOAISA-N 298.430 3.822 30 20 CHED CC#CCCNC(=O)C(C)(C)c1ccc2ccccc2c1 680456734 CHLYIQMDPHPMRN-UHFFFAOYSA-N 279.383 3.647 30 20 CHED C#CC[C@H](OC(=O)c1ccc(C(F)F)nc1)C(C)(C)C 847682585 IEEHWROHKHTHSK-LBPRGKRZSA-N 281.302 3.614 30 20 CHED CC[C@H](COC(=O)[C@@]1(C#N)CC12CCCC2)CC(F)F 849791108 KHPWLBUAGAHXMS-NHYWBVRUSA-N 285.334 3.685 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@H]2C(C)C)o1 747754148 PYOOMIZYPSKPPK-NSHDSACASA-N 274.368 3.894 30 20 CHED Clc1ccc([C@H]2CCCC(=NNc3nc[nH]n3)C2)cc1 841637229 IARNFZNLIHJMQI-NSHDSACASA-N 289.770 3.584 30 20 CHED C=C(C)CCOC(=O)C(F)(F)c1ccccc1OCC 753558042 MYSYZQVWYYNKAP-UHFFFAOYSA-N 284.302 3.687 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ccc(C(C)=O)o1 851142920 HKKJDNKRXSPIAR-TZMCWYRMSA-N 276.332 3.774 30 20 CHED C#CCCCCCC(=O)N[C@H](C)CCCC(F)(F)F 755509829 OYYWCYDNVUBJLZ-GFCCVEGCSA-N 277.330 3.807 30 20 CHED FC(F)(F)c1csc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)n1 755770903 PODMLQXARUBEHV-XHNCKOQMSA-N 287.310 3.772 30 20 CHED Cc1ccc(CON=CC2CC2)cc1Br 853736372 YXFWMKKBGLHGBY-UHFFFAOYSA-N 268.154 3.670 30 20 CHED Cc1cc(F)cc(C(=O)OC[C@H](C#N)Cc2ccccc2)c1 750782726 LLZKQLUGBCVJLG-HNNXBMFYSA-N 297.329 3.673 30 20 CHED N#CC1(CCCCN2CCO[C@@H](c3ccco3)C2)CCC1 929816619 IKCMAVMRJNUCFP-MRXNPFEDSA-N 288.391 3.517 30 20 CHED CCCCCCCCNC(=O)CC[C@@H]1CC[C@H](C)O1 754850438 NLAKDJFRFFMRHL-GJZGRUSLSA-N 269.429 3.811 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1ccc2[nH]ccc2c1 926356809 DYWXFMMNLOGANY-ZDUSSCGKSA-N 269.392 3.628 30 20 CHED CC1(CSCc2cc(Cl)ccc2OCC#N)COC1 853767146 LNYIDDVNOIDPTL-UHFFFAOYSA-N 297.807 3.512 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H](C)c2ccc(F)cc2)c1 920178347 OVTFECNCIBEYQQ-ZDFPAGSVSA-N 287.334 3.763 30 20 CHED CCCCCCCCNC(=O)Nc1cnn(C(C)C)c1 754973006 XXEIOIQFMPNAQM-UHFFFAOYSA-N 280.416 3.946 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccn(-c2cccc(F)c2)n1 683792972 JQXSXGASJXRWBE-MRXNPFEDSA-N 285.366 3.552 30 20 CHED C[C@@H](c1ccccc1)N(Cc1ccccc1)C[C@H](O)CC#N 929366682 MGTAIQICEBBQKI-QFBILLFUSA-N 294.398 3.524 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)cc1 756270692 UQFRINQGSVTSGP-YCRREMRBSA-N 281.286 3.602 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 754389748 DVMJGYNDNJZNEN-GXSJLCMTSA-N 284.186 3.625 30 20 CHED CCCc1ncc(C(=O)O[C@H](C)CC(C)(C)C#N)s1 851209701 ODOPCVKPLWAFLZ-SNVBAGLBSA-N 280.393 3.581 30 20 CHED COc1cccc(OC)c1C=NNc1cc(C)cc(C)c1 755563522 FNVHOEAPURIJQC-UHFFFAOYSA-N 284.359 3.767 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1c(F)cccc1F 851207705 GHZNTUJTGCDJCO-GHMZBOCLSA-N 295.329 3.940 30 20 CHED C=C[C@H](C)NC(=S)Nc1ccc(Cl)cc1Cl 756795132 GVOBHLSMUTWWOJ-ZETCQYMHSA-N 275.204 3.854 30 20 CHED COc1cc(NN=C(C)C2(OC)CCC2)ccc1Cl 853339892 FAQGAKHHLCBGKC-UHFFFAOYSA-N 282.771 3.706 30 20 CHED Cc1ccc(CN(Cc2ccccc2C#N)C2CC2)o1 51966059 JXPXJKTUSMSTDU-UHFFFAOYSA-N 266.344 3.624 30 20 CHED Cn1c(Cl)cnc1/C=C\C(=O)c1cccc(Cl)c1 752886873 MZKNEDFAAPWBMK-WAYWQWQTSA-N 281.142 3.623 30 20 CHED CCC(=NNc1nc(C)cc(C)n1)C1CCCCC1 750908733 BWVJGMRDSWJPCZ-UHFFFAOYSA-N 260.385 3.852 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2ccc(OC)c(C)c2)c1 757467286 DCGCTXAZMYSLQI-DAXSKMNVSA-N 298.338 3.614 30 20 CHED CO[C@H]1c2ccccc2C[C@H]1NCCCCC1(C#N)CCC1 930711383 KQRUZNRNKIPXOO-MSOLQXFVSA-N 298.430 3.753 30 20 CHED CC(C)c1cccc(C(=O)Nc2ccccc2C#N)c1 1529992189 QBDSLROUPJXFKE-UHFFFAOYSA-N 264.328 3.934 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC(F)F)c(OC)c1 61758739 LFTVEOXFWWOECX-UHFFFAOYSA-N 285.334 3.695 30 20 CHED CCOC1CC(ON=C(C)c2cc3ccccc3o2)C1 863452609 OPLHOEIUIZFFDD-UHFFFAOYSA-N 273.332 3.741 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccccc1C 767363284 RIESDNQVVHSLNY-UHFFFAOYSA-N 263.344 3.789 30 20 CHED C=C[C@H](CC)CC(=O)NCc1cc(-c2ccccc2)on1 931493801 LIAJWKRUIILXDT-CYBMUJFWSA-N 284.359 3.560 30 20 CHED C=C1CCN(C(=O)[C@H](C)CCc2ccc(F)cc2)CC1 865178037 RAKPDGFEZABISA-CQSZACIVSA-N 275.367 3.573 30 20 CHED C#CCCNc1ccc(Oc2ccc(Cl)cn2)cc1 760294012 CJRIBUZYLRYHOE-UHFFFAOYSA-N 272.735 3.963 30 20 CHED C=CC[C@@H](N[C@H](C)c1cncc(F)c1)c1ccncc1 766019495 MCIZFCOAKKPEGH-MLGOLLRUSA-N 271.339 3.584 30 20 CHED CCCCCCCC(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C 866461848 YZXUBMCTFUZXFX-GASCZTMLSA-N 297.439 3.680 30 20 CHED Cc1ccc2c(C)cc(NN=CC[C@@H]3CCOC3)nc2c1C 765570056 PZYQSGGJCIVTSS-OAHLLOKOSA-N 297.402 3.984 30 20 CHED COc1ccsc1C(C)=NNCc1cc(F)ccc1F 769779669 HBBMHJACAHSPCS-UHFFFAOYSA-N 296.342 3.549 30 20 CHED Cc1cccc(C[C@@H](C)NCc2ccc(OCC#N)cc2)c1 866294320 HEVCUHRVPGGAGH-MRXNPFEDSA-N 294.398 3.618 30 20 CHED CCC(Cc1cccs1)=NNc1cccc(C)n1 863160317 YWYHBFQHRHMTJY-UHFFFAOYSA-N 259.378 3.872 30 20 CHED C[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])Cc2ccccc21 767157163 YPKGKUZTVLYOEI-LBPRGKRZSA-N 293.326 3.590 30 20 CHED C=C1CCN([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 878087766 XTFFAKOTSHHSJJ-CYBMUJFWSA-N 292.810 3.627 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1csc(C#N)c1 1117805494 XHIZZTRMRQPZLM-LLVKDONJSA-N 276.405 3.708 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1sccc1C 776189127 BDXWMXMREUACTC-BQYQJAHWSA-N 288.368 3.970 30 20 CHED COc1cccc(NN=C(C)c2ccc(Cl)cn2)c1 774364289 OOQVMFFQVBTBLL-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)cc1 772808601 WYYKIRFVBSKHAB-JXMROGBWSA-N 295.313 3.992 30 20 CHED CC[C@@H](C)[C@H](C(=O)OCC1(C#N)CC1)c1ccccc1 775826179 FJWSXBUQLPLQPN-HIFRSBDPSA-N 271.360 3.663 30 20 CHED C=CCN(C)C(=O)c1csc(-c2ccc(CC)cc2)n1 1116693860 ARRLPQIDCJHVQP-UHFFFAOYSA-N 286.400 3.631 30 20 CHED COc1cc(C=NNc2ccc(F)cc2)ccc1C 772991901 XQBNXBJLBDCCPB-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(C(=O)c2ccccc2)CC1 878035143 ZFFGTPAQZUQXPO-UHFFFAOYSA-N 299.414 3.710 30 20 CHED N#Cc1cc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)cs1 1117761912 NVUWSMUERCREAC-SNVBAGLBSA-N 298.358 3.565 30 20 CHED COc1cc(/C=C\C(=O)c2cc(C)ccc2O)ccc1F 1116374008 QGAMQMKSGONSRI-YVMONPNESA-N 286.302 3.744 30 20 CHED C=C(C)[C@H](N[C@H](C)C[C@H]1CCOC1)c1ccc(F)c(F)c1 775559444 ZBVSMQWLWUFMFO-XNJGSVPQSA-N 295.373 3.987 30 20 CHED CCOCCON=C1CCC(C)(c2ccccc2)CC1 774436615 VEOQFCSYHOYUNO-UHFFFAOYSA-N 275.392 3.927 30 20 CHED Cc1ccc(F)cc1C=NNc1oc(C(C)C)nc1C#N 777886574 NXIZJFDGXNGQQF-UHFFFAOYSA-N 286.310 3.563 30 20 CHED N#CCC[C@H](NC[C@H]1CC1(Cl)Cl)c1ccccc1 775554702 ZLZZXHUKGOVXEX-OLZOCXBDSA-N 283.202 3.815 30 20 CHED C[C@H](CCC#N)CNc1ccc(OC(F)F)c(F)c1 876825340 YZWSYCJVTUVUTF-SECBINFHSA-N 272.270 3.779 30 20 CHED CN(C)c1cccc([C@H]2CCCN2CC2(CC#N)CC2)c1 878132602 ADJUVMIIWXXDTI-QGZVFWFLSA-N 283.419 3.583 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(N(C)C)c(F)c1 779597708 DSRHAMLMDNUBHZ-UHFFFAOYSA-N 283.350 3.684 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2nncn2CC)c1 888129957 NGRDLQLYRAKOME-UHFFFAOYSA-N 298.390 3.506 30 20 CHED CC[C@H](OC1CCCC1)C(=O)OCCCCC(C)(C)C#N 785937993 YACGZJFKQAEWFB-HNNXBMFYSA-N 295.423 3.987 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1-c1noc(C)n1 888197389 SLYRPDOOTNZPRQ-UHFFFAOYSA-N 285.347 3.586 30 20 CHED C#CCOc1ccc(F)cc1NCc1cc2ccccc2[nH]1 788521354 OWXHJDCILZSKFS-UHFFFAOYSA-N 294.329 3.931 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ncsc2-c2ccccc2)C1 1122644821 ZOFYVXLUSPXRHJ-WCQYABFASA-N 298.367 3.659 30 20 CHED N#Cc1ccccc1S/C=C/c1ccc([N+](=O)[O-])o1 789922661 SNVWKBVFXPOHQQ-BQYQJAHWSA-N 272.285 3.822 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](c3ccccc3F)C2)CC1 888848381 DBPLEXLYDPGAMY-HNNXBMFYSA-N 287.378 3.888 30 20 CHED COc1ccc(NN=Cc2c(C)cc(Cl)cc2C)nc1 780269996 BIVKFSHCFXQAGJ-UHFFFAOYSA-N 289.766 3.806 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 780329934 HEAXWBAPFRLTTL-GOSISDBHSA-N 299.414 3.942 30 20 CHED C=CCN(Cc1cc(C(=O)OC)ccc1Cl)C(C)C 781326654 IOSLXMBBLOVGKF-UHFFFAOYSA-N 281.783 3.523 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NN1Cc2ccccc2C1=O 781598665 KQCKXWIPJSAULO-CJNGLKHVSA-N 268.360 3.621 30 20 CHED CC(C)(C#N)CCCOC(=O)c1nccc2ccccc12 783255078 CAVYQAGQTDUILJ-UHFFFAOYSA-N 282.343 3.722 30 20 CHED COC(=O)c1ccccc1NN=Cc1sccc1Cl 782269207 VFYKQJVDLWCLIW-UHFFFAOYSA-N 294.763 3.634 30 20 CHED COc1cccc(NN=Cc2cnc(-c3ccco3)s2)c1 782178653 CUIGMNSOPYVGDR-UHFFFAOYSA-N 299.355 3.858 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccc(F)cc3F)cn2c1 789129984 KCZYEEXCHXQOIK-XQRVVYSFSA-N 298.292 3.817 30 20 CHED CC[C@H](C)c1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 784748181 RDZGSORIAQEMKL-KSSFIOAISA-N 284.403 3.966 30 20 CHED C=C1CCC(C(=O)Nc2sc(CC)nc2C)CC1 890063591 HXGVHPYCWPCONP-UHFFFAOYSA-N 264.394 3.699 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 890455445 ORQWDJXWJTWKJQ-UHFFFAOYSA-N 297.402 3.637 30 20 CHED C#CCn1ccc(CN(CC)C[C@@H]2CCC[C@H](CC)C2)n1 789759200 PZWOVEUSJVJDCE-DLBZAZTESA-N 287.451 3.555 30 20 CHED CC[C@H](C)NN=Cc1ccc(Cl)c(Br)c1 790182148 ITVAVXIAJRDYBL-QMMMGPOBSA-N 289.604 3.825 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)C[C@H]1C 1208346048 KNKUORDODYBRSN-JTNHKYCSSA-N 289.354 3.644 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 794689670 CCYNLTKJANABQP-ZHACJKMWSA-N 282.387 3.922 30 20 CHED CCCCCCCCOCC(=O)N1CCC(F)(F)CC1 794292622 OKECTWOWLVPICZ-UHFFFAOYSA-N 291.382 3.621 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CCC[C@H](C)C1 189940732 BDUBUMFYGWRDFC-KBPBESRZSA-N 264.413 3.744 30 20 CHED CCCCCCC(=O)N(CCC#N)C(C)(C)CC 189920327 ROIZDHUFYPRXMR-UHFFFAOYSA-N 252.402 3.888 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(C#N)c2)s1 799339827 WAJLKIPMKMHOIG-LBPRGKRZSA-N 298.411 3.598 30 20 CHED COc1cc(/C=C\C(=O)c2cc(C)on2)ccc1SC 791431589 IZBOLHBJUFAGLJ-XQRVVYSFSA-N 289.356 3.610 30 20 CHED COc1ccc(/C=C2/CCc3ccc(O)cc3C2=O)cc1F 794960921 ZAVGCOIQKVHISM-JYRVWZFOSA-N 298.313 3.752 30 20 CHED CSc1ccc(OC(=O)c2ccc(C)c(C#N)c2)cc1 799296170 CECQZNBUQMFNTB-UHFFFAOYSA-N 283.352 3.808 30 20 CHED CC[C@H](C)NN=Cc1cc(F)cc(C(F)(F)F)c1 790182609 FACRDYFDDOQNJY-QMMMGPOBSA-N 262.250 3.567 30 20 CHED Fc1cncnc1NN=Cc1cc(-c2ccccc2)cs1 793198525 DBCJFDJQNQBNCG-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CCCc1nc(C)c(NC(=O)c2ccc(C)c(C#N)c2)s1 799370434 LIAXDHYTCFZZLC-UHFFFAOYSA-N 299.399 3.836 30 20 CHED CCn1nccc1C=NNc1cc(Cl)cc(Cl)c1 790210518 GHABZVOURGPNAZ-UHFFFAOYSA-N 283.162 3.656 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1ccc(Cl)nc1 794946483 OOFFXESSZRWACQ-RQOWECAXSA-N 295.672 3.615 30 20 CHED COCCCON=C(C)c1ccc(Cl)cc1Cl 795054040 YINWCJVBRWJVGF-UHFFFAOYSA-N 276.163 3.771 30 20 CHED N#CC1(COC(=O)c2ccc(F)c3ccccc23)CCC1 796850240 MAUZBAUHKCMBPT-UHFFFAOYSA-N 283.302 3.830 30 20 CHED CCc1ccsc1C(=O)Nc1cc(F)cc(C#N)c1 720269774 ZDPZCHRVCNVAFW-UHFFFAOYSA-N 274.320 3.574 30 20 CHED Cc1cc(C)cc(C(=O)Nc2cc(F)cc(C#N)c2)c1 720268480 PNAVXUWIQFYFOS-UHFFFAOYSA-N 268.291 3.567 30 20 CHED COCCCON=C(C)[C@@H](C)c1ccc(Cl)cc1 795049125 XAVQESRUSYHHOP-LLVKDONJSA-N 269.772 3.873 30 20 CHED CCC(=NNc1c(C)cccc1CC)c1nccn1C 799495643 VOPAHOSTQFZFLF-UHFFFAOYSA-N 270.380 3.517 30 20 CHED CCOc1ccc2nc(SCC3(CC#N)CC3)[nH]c2c1 88259641 LMJIHMGPGWTPND-UHFFFAOYSA-N 287.388 3.748 30 20 CHED N#Cc1csc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 246125431 DOXUYYOQRPETEP-CSOUEMRRSA-N 272.417 3.534 30 20 CHED CCC(CC)CN(CCC#N)CC(=O)c1ccccc1F 1167557983 BOTGOTUREKZKGH-UHFFFAOYSA-N 290.382 3.660 30 20 CHED CCn1c(C)cc(C=NNc2ccc(C(C)(C)C)nn2)c1C 1318576740 XEYVXBUCVOGTEE-UHFFFAOYSA-N 299.422 3.658 30 20 CHED C=C(CNC(=O)CC(C1CC1)C1CC1)c1ccccc1 1323554700 BIRJRACVEYJMBT-UHFFFAOYSA-N 269.388 3.642 30 20 CHED C=CCC(F)(F)c1nnc([C@@H](C)CN2CCC(C)CC2)o1 1327845619 DHDDVWPPNDZISS-LBPRGKRZSA-N 299.365 3.573 30 20 CHED COc1cc(F)cc(NC(=O)Nc2cccc(C#N)c2C)c1 1253248837 RQMNFUOFNDXQJW-UHFFFAOYSA-N 299.305 3.658 30 20 CHED N#CCc1cccc(NCC2(c3ccc(Cl)cc3)CC2)n1 1255095349 ICIJEFNCQPZGOG-UHFFFAOYSA-N 297.789 3.945 30 20 CHED N#C[C@@H](C1CCCCC1)S(=O)(=O)c1ccccc1Cl 211171767 IHSRPEIWNDVDHH-AWEZNQCLSA-N 297.807 3.586 30 20 CHED C=CCCSCCNCc1nc2c(s1)C[C@@H](C)CC2 1333313775 YFCBAIKBOILBMR-LBPRGKRZSA-N 296.505 3.667 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(-c2ccc(OC)cc2)o1 1262712236 YBBRMHVGTRAVQK-AWEZNQCLSA-N 299.374 3.680 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1)C1CC1 1345672847 BVCFBLNOTZWVHL-MXMFLMJRSA-N 299.761 3.749 30 20 CHED N#Cc1ccc2c(c1)N(Cc1cnc3ccccc3c1)CC2 1344558414 ZMWRUTLAZXNYCY-UHFFFAOYSA-N 285.350 3.669 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1coc(C(C)(C)C)n1 1261369621 HEZAUHCRLLDHPP-UHFFFAOYSA-N 298.342 3.509 30 20 CHED C#Cc1cccc(CNCc2ccc(N3CCCC3)cc2)c1 1347793991 NSTKWAPUHBFBFS-UHFFFAOYSA-N 290.410 3.558 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1ccccc1C 1438120426 XMCGSFLSLYYXMG-CQSZACIVSA-N 278.355 3.666 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2cc(C#N)c(F)cc2F)C1 1438610523 KXDABQBCYSVWTF-ZJUUUORDSA-N 278.302 3.601 30 20 CHED CCCc1cc(C(=O)Nc2ccc(C#N)cn2)sc1C 110286679 IABSAMKLUMQJJJ-UHFFFAOYSA-N 285.372 3.528 30 20 CHED Cc1c(C#N)cccc1C(=O)NC1CCC(C(C)C)CC1 1517779775 OHLIARDFRZIVLZ-UHFFFAOYSA-N 284.403 3.811 30 20 CHED C=CCCC(=O)O[C@@H](c1cccs1)[C@@H](C#N)CC 1525978630 SFTNDCNOKPTFCE-BXUZGUMPSA-N 263.362 3.848 30 20 CHED N#Cc1nc(NCC[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 1458141164 FLHBYLZKZCYJTR-SDDRHHMPSA-N 275.783 3.845 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)O[C@H](C)c1cccc(C#N)c1 1457762667 OQXOSLUMUAWTEU-GUTXKFCHSA-N 271.360 3.989 30 20 CHED CC(C)(C)CC(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1526620775 NXWPROAATPPJMZ-VIFPVBQESA-N 289.766 3.829 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1ccc(C)c(C#N)c1 1532126280 KDWMFPNCCVUGBQ-MRXNPFEDSA-N 272.392 3.955 30 20 CHED CCC[C@H]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 1294687241 NWONVTZKZOBDCS-ROUUACIJSA-N 298.430 3.798 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)c1ccc(C)nc1C 1602992161 LWHQIDGNHOVNGS-UHFFFAOYSA-N 297.358 3.541 30 20 CHED N#Cc1ccc(CN2CCc3cc(F)ccc32)c(Cl)c1 1473424660 PGAQCWLLRJMPKK-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C[C@@H]1N(c2ccc(C#N)cn2)c2ccccc2C1(C)C 1559236766 RTWNQXWOTYQSID-LBPRGKRZSA-N 263.344 3.771 30 20 CHED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@H](C)[C@@H]1C 1653942490 NRUOUHMXVHBIEC-RBSFLKMASA-N 270.420 3.964 30 20 CHED C=C(Cl)CNCc1cc(Cl)c(OCC)c(OC)c1 1650314369 MKAKQHQZTLMDHT-UHFFFAOYSA-N 290.190 3.589 30 20 CHED N#Cc1ccc(CSc2nc3ncccc3s2)cc1 1653011435 GFRVZFQWEZWRDF-UHFFFAOYSA-N 283.381 3.855 30 20 CHED CCCCCCCC(=O)Nc1nc(CC)c(C(=O)O)s1 1595704799 HPDGFEMSJSBRSS-UHFFFAOYSA-N 298.408 3.703 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(F)c1 1596288409 DWRGVEYFUJKGNB-NWDGAFQWSA-N 274.339 3.852 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)Nc1cc(C#N)ccc1F 1670761134 PCCHLWVHPPANDJ-SUNKGSAMSA-N 289.354 3.644 30 20 CHED C=CCCC[C@H](NCc1ccccc1C(C)(C)C)C(=O)O 1776207341 SPIKQYKTUHYBAF-INIZCTEOSA-N 289.419 3.883 30 20 CHED O=C(O)c1ccc(NN=C2CCCCC2(F)F)cc1F 1776076528 SPGIHIDNDOKYRK-UHFFFAOYSA-N 286.253 3.501 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1ccc(F)c(C(=O)O)c1 1776062559 ZMWIPWMFMBBQQY-SNVBAGLBSA-N 298.317 3.532 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cccc(C#N)c1 14180490 QCBZXKJWVXEWTF-VQHVLOKHSA-N 277.323 3.771 30 20 CHED C=CCN(C)C(=O)C(C)(C)c1ccc(OCC(C)C)cc1 161701233 VBJNQLNSPHACLY-UHFFFAOYSA-N 289.419 3.643 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H]1CCc2ccccc2C1 162275658 ZDXCSBDMWRRKAA-PBHICJAKSA-N 292.382 3.947 30 20 CHED Cc1c([C@@H](C)NCc2cccc(C#N)c2)cccc1[N+](=O)[O-] 151381872 YSCFBSMVLABBHA-CYBMUJFWSA-N 295.342 3.626 30 20 CHED C[C@@H](Cc1ccccc1Cl)C(=O)[C@H](C#N)c1ccccn1 155104579 XMDIPLWUNPQZHY-GXTWGEPZSA-N 298.773 3.790 30 20 CHED CC#CCN(C)Cc1csc(-c2ccc(C)cc2)n1 815284030 WANXDWGTHFJOOR-UHFFFAOYSA-N 270.401 3.574 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C2CC2)n(C)n1 927106810 FXKVBCROBARZLK-CJNGLKHVSA-N 273.424 3.522 30 20 CHED Cc1c(F)cccc1NCc1ccc(C#N)cc1F 43321151 WQKPICGCVISBDJ-UHFFFAOYSA-N 258.271 3.757 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2cccc(Cl)c2)n1 43399361 CQIXVLSEGOLAGY-UHFFFAOYSA-N 271.751 3.552 30 20 CHED N#Cc1ccc(CNc2ccc(N3CCCC3)cc2)s1 157437461 WNIXNIOKQAIZGC-UHFFFAOYSA-N 283.400 3.832 30 20 CHED CN(C(=O)CC1CCCCCC1)c1ccccc1C#N 159485907 SNZQEHVDHNEOGF-UHFFFAOYSA-N 270.376 3.882 30 20 CHED Cc1nc(N2CCc3ccsc3C2)c(Cl)cc1C#N 292597570 MBUPVWJXAGLSOE-UHFFFAOYSA-N 289.791 3.539 30 20 CHED CS[C@@H]1CCCCN(c2cc(Cl)ccc2C#N)C1 301794451 SGPWTGBOYSAMKN-CYBMUJFWSA-N 280.824 3.934 30 20 CHED CCc1nc(C#N)cc(Oc2cc(C)cc(C)c2C)n1 308284043 XCYCEKFETNZKFA-UHFFFAOYSA-N 267.332 3.628 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(C#N)c(F)c1 402704965 IZXQJVUANJDQAG-MRVPVSSYSA-N 288.244 3.614 30 20 CHED CC[C@H]1COC(C)(C)CN1Cc1ccc(C#N)cc1Cl 403938912 VTMNIDAXHQYBGZ-AWEZNQCLSA-N 292.810 3.601 30 20 CHED Cc1nc([C@@H](C)NCc2ccc(C#N)c(F)c2)c(C)s1 404645405 ODZNRAFWHBFYOE-SECBINFHSA-N 289.379 3.622 30 20 CHED C[C@@H](C#N)OCCOc1ccc(OCc2ccccc2)cc1 309997508 NNYMDQZPOJHNBN-HNNXBMFYSA-N 297.354 3.573 30 20 CHED C=CCCCN(C)Cc1cnc(C(F)(F)F)s1 447727991 KQHMGLHQIRZYMA-UHFFFAOYSA-N 264.316 3.560 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C(=O)O)s1 709362003 GXVRUJGDGFSLHM-AAEUAGOBSA-N 279.405 3.671 30 20 CHED CC(C)c1cnc(C=NOCc2ccccc2)s1 814791417 GUCJRCADGAXGJO-UHFFFAOYSA-N 260.362 3.817 30 20 CHED CC(=NOCc1ccccc1)c1cc(Cl)ccc1O 839419566 HKSUGKKDVWRLPA-UHFFFAOYSA-N 275.735 3.986 30 20 CHED C#CCN(C(=O)c1cc(F)cc(Cl)c1)C1CCCCC1 756924336 WLACTSZWDXJMKS-UHFFFAOYSA-N 293.769 3.887 30 20 CHED COc1ccc([C@H]2CCCN2CC2(C#N)CCC2)cc1 450246239 QBVRTVHBOVGXRD-MRXNPFEDSA-N 270.376 3.526 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)cc1 55599477 NPIGQLAUSWSAPA-KRWDZBQOSA-N 282.387 3.743 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)c(C)c1 56475845 GOLIZDRHBDLYKJ-UHFFFAOYSA-N 294.354 3.826 30 20 CHED C=C(Cl)CSc1nc2ccc(OCC)cc2[nH]1 9966859 HOIIOZODIYHWAH-UHFFFAOYSA-N 268.769 3.806 30 20 CHED COc1ccc([C@H](NCCCC#N)c2ccc(F)cc2)cc1 109790673 XOURUWMKCMOJRI-GOSISDBHSA-N 298.361 3.817 30 20 CHED Cc1cc2cc(NC(=O)c3sccc3C#N)ccc2[nH]1 52034745 PHTFTICALVYOCI-UHFFFAOYSA-N 281.340 3.662 30 20 CHED CC(C)(C)C1CCN(CCOc2ccccc2C#N)CC1 50346998 LHOIQZLTOPLVLB-UHFFFAOYSA-N 286.419 3.695 30 20 CHED N#CCCSc1ccccc1NC(=O)Nc1cccnc1 108431275 GOEBASPHXAWJRE-UHFFFAOYSA-N 298.371 3.731 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)cc1 110845357 GPWITHHFVNKRFQ-LJQANCHMSA-N 292.382 3.640 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1ccccc1Cl 177938650 YPPKFQAVMYLPNO-SFHVURJKSA-N 283.824 3.919 30 20 CHED C[C@H]1CC(NC(=O)N(C)Cc2cccc(C#N)c2)C[C@H](C)C1 172399442 PNAXUKWCLAFYLO-ZIAGYGMSSA-N 299.418 3.524 30 20 CHED N#CC1CCN(C(=O)CCCCCc2cccs2)CC1 67149641 IXHSEMQITPABMZ-UHFFFAOYSA-N 290.432 3.613 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@H](C)Cc1cccs1 175754179 JNAXYCUBUFPQFM-CYBMUJFWSA-N 280.437 3.534 30 20 CHED N#C[C@@H](NC(=O)C1CCCC1)c1ccc(Cl)c(Cl)c1 68456200 GMJBIZSBOXCCEZ-CYBMUJFWSA-N 297.185 3.864 30 20 CHED COc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)c(OC)c1 114992351 LHVFFCFJTYEKSB-NTUHNPAUSA-N 298.313 3.665 30 20 CHED CCN(C(=O)CSc1cccc(C#N)c1)c1ccccc1 177112544 QKWAOQDQJLWNNC-UHFFFAOYSA-N 296.395 3.703 30 20 CHED C=CCOCCCC(=O)Nc1cc(Cl)ccc1C 173056152 IGTRDHSVHNHHKV-UHFFFAOYSA-N 267.756 3.570 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(SC)cc1)c1ccccn1 113662700 JQVZLTBZDDNQOZ-MRXNPFEDSA-N 297.379 3.725 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1cc(C)on1 69914102 FMVZMNSJQHEHIS-UHFFFAOYSA-N 277.368 3.583 30 20 CHED C=CCSCCNc1ccc(C#N)cc1C(F)(F)F 301355698 KRDZSHDMJANNRQ-UHFFFAOYSA-N 286.322 3.908 30 20 CHED CCN(CC[C@H]1CCCO1)[C@H](C)c1ccc(C#N)cc1 248953100 FLBRQBCKFRFRKH-RHSMWYFYSA-N 272.392 3.510 30 20 CHED C[C@H](CC#N)NC(=O)Cc1csc2ccc(Cl)cc12 179275709 NHDJEYQYMARSCO-SECBINFHSA-N 292.791 3.516 30 20 CHED C[C@H](CC1CCCC1)C(=O)N[C@H](C#N)c1ccccc1F 114327758 ZQCXINJDYXXXJL-MLGOLLRUSA-N 288.366 3.723 30 20 CHED C=CCCCOC(=O)c1ccc(C(F)(F)F)nc1C 172235689 UJOUIEWXEKUYGX-UHFFFAOYSA-N 273.254 3.532 30 20 CHED CC(C)c1cccc2c1OCC/C(=C/c1cnn(C)c1)C2=O 178368952 CCBCOIGPMBJRKN-ZROIWOOFSA-N 296.370 3.592 30 20 CHED Cc1cnc([C@@H](NCc2cccc(C#N)c2)C2CC2)s1 174546095 QZOPKYRGHNSXEF-HNNXBMFYSA-N 283.400 3.564 30 20 CHED CC[C@@H](C)CN(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 171808957 LDWMNERGAKPVEN-GFCCVEGCSA-N 290.411 3.625 30 20 CHED C=CCCCNc1ccc(-n2cccn2)c(Cl)c1 303853187 OPOZZHLCCIJBEZ-UHFFFAOYSA-N 261.756 3.904 30 20 CHED CCN(CCC#N)Cc1cnc(C2CCCC2)s1 127606300 NPGYFEQRDHEHQV-UHFFFAOYSA-N 263.410 3.536 30 20 CHED CC(C)C[C@@H](OC(=O)c1cccc(C#N)c1)c1ccccn1 125446482 PCPLVHRIOOEGIJ-QGZVFWFLSA-N 294.354 3.897 30 20 CHED CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 185547631 CNKNRXPUEGUREW-GJZGRUSLSA-N 270.376 3.718 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 186219375 KKDJSHZEFVOFPP-MRXNPFEDSA-N 296.326 3.893 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC([C@H]2CCCO2)CC1 189121599 HGSICHMVXFTILT-KBXCAEBGSA-N 284.403 3.510 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H](C)c1ccccn1 180203032 WYLSHTNYTYIOMB-QWHCGFSZSA-N 267.332 3.546 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccccc1)c1ccc(F)cc1 128555454 JRSCYVVSQKDKMN-RTBURBONSA-N 299.389 3.832 30 20 CHED C#CCCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 229741027 PMNBTQOFZLSJAC-UHFFFAOYSA-N 285.174 3.918 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1c(Cl)cnn1C)C2=O 122712669 SWMQFYRISCXMOO-BZPKPHBRSA-N 286.762 3.765 30 20 CHED C=C(C)COc1cccc(NC(=O)CCCC#CC)c1 185436483 ZOQPNFKRXZLXET-UHFFFAOYSA-N 271.360 3.774 30 20 CHED COC[C@@H](C#N)Nc1cc(Cl)ccc1OC1CCCC1 186540087 LYHQTCITFGYCLV-GFCCVEGCSA-N 294.782 3.612 30 20 CHED N#Cc1c(Cl)cccc1SC[C@@H]1CCCC[C@H]1O 412996946 GHUGLBAERYKPAS-GXFFZTMASA-N 281.808 3.855 30 20 CHED N#Cc1cccc(CN2CC[C@H](c3c(F)cccc3F)C2)c1 185312794 HFYIAEWODMBIJJ-HNNXBMFYSA-N 298.336 3.826 30 20 CHED C=CCOc1ccc(CNC[C@@H](C)CCOC)cc1Cl 414486272 SUZXFPUHFRMXJR-ZDUSSCGKSA-N 297.826 3.667 30 20 CHED C=C(C)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 123630340 IJVMQHVHJULTPO-UHFFFAOYSA-N 261.365 3.650 30 20 CHED CC(C)(CNc1ccc(C#N)c(Cl)c1)c1cccnc1 413586537 LVSATYWAUGUBTA-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2ccccc2F)c1 73012299 ZPIIJGKVKRBNFG-INIZCTEOSA-N 298.361 3.796 30 20 CHED Cc1nc(-c2ccccc2)sc1NC(=O)C(C)(C)C#N 182122551 ILDFUTDPMZWNIT-UHFFFAOYSA-N 285.372 3.607 30 20 CHED CCCCCCCN1CCC[C@@H](N2CCCC2)C1 158354680 SENJTWYNXNGAMS-MRXNPFEDSA-N 252.446 3.517 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc(OC3CCCC3)nc2)C1 185784572 FXMSMHDFINUJOB-HOCLYGCPSA-N 299.418 3.575 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1 188030282 HULNHGUATHLNCU-AWEZNQCLSA-N 297.358 3.543 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)cc1 70198522 CJKHUJMDIHKKBZ-HNNXBMFYSA-N 290.288 3.951 30 20 CHED CC[C@@]1(C)CCN(c2cc(C(F)(F)F)cnc2C#N)C1 413194208 PPPPPRFMBGWYOF-ZDUSSCGKSA-N 283.297 3.598 30 20 CHED N#Cc1ccc(OCC(=O)c2ccc(F)c(Cl)c2)cc1 126703183 JJFHUQHCUMUYCP-UHFFFAOYSA-N 289.693 3.612 30 20 CHED CCc1ccccc1CNc1ccc(F)cc1OCC#N 187302510 SOQSSTCZYPVLEK-UHFFFAOYSA-N 284.334 3.903 30 20 CHED Cc1noc(C)c1C[C@H](C)Nc1cc(Cl)ccc1C#N 77990669 GWIFXBDFNVFLCF-VIFPVBQESA-N 289.766 3.860 30 20 CHED C=CCC[C@@H](NCc1cnc(CC)nc1)c1ccccc1 414357273 BYXHUADZYSWDCR-QGZVFWFLSA-N 281.403 3.836 30 20 CHED C=C(Cl)CNCc1ccc(Cl)c2cccnc12 127324154 DQJAQEOHOZPFLU-UHFFFAOYSA-N 267.159 3.730 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CCCCC23CCCC3)c1 314866454 JXCRZONHGKBESN-MRXNPFEDSA-N 282.387 3.791 30 20 CHED C=CCC[C@@H](C(=O)Nc1cnn(CC)c1)c1ccccc1 186912573 FYYJOVQXVFJPIR-MRXNPFEDSA-N 283.375 3.592 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@@H]1CCC2(CCCCC2)O1 318655816 IJZLGAHQJZSUEU-SFHVURJKSA-N 298.430 3.872 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3c(OC)cccc32)CCC1 189356208 XIIKFBFJLFEANY-HNNXBMFYSA-N 285.387 3.545 30 20 CHED CC(C)c1cccc(N/C(N)=N/CC2(C3CC3)CC2)c1 130822149 RKFLIHOAQYJLSU-UHFFFAOYSA-N 271.408 3.727 30 20 CHED Cc1ccc(C)c(CN(CCC#N)Cc2cccnc2)c1 78663535 WDESLIPYTPYCJI-UHFFFAOYSA-N 279.387 3.614 30 20 CHED C[C@@H](OC(=O)c1ccc2ccccc2c1)C(C)(C)C#N 131684138 PENOBBTVFLCYLB-GFCCVEGCSA-N 267.328 3.935 30 20 CHED Cc1csc(C[S@](=O)CCC2(C#N)CCCCC2)n1 417153279 VFYDJVIDUCZOPD-LJQANCHMSA-N 296.461 3.564 30 20 CHED N#Cc1ccc(NCC[C@H]2CCCCO2)cc1C(F)(F)F 227317756 HHMWITHYYUEUBM-CYBMUJFWSA-N 298.308 3.948 30 20 CHED C[C@H]1CCCC[C@@H]1CNc1c(C#N)nnc2ccccc12 85920317 OBFBZEPWVGAOQI-QWHCGFSZSA-N 280.375 3.740 30 20 CHED CCC1(CC)CCC(N/C(O)=N/[C@H]2CCCOCC2)CC1 329921177 HLRRGRQARWKHJU-AWEZNQCLSA-N 296.455 3.808 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Nc2ccccc2)nc1 509029176 HQZKAHNQULRAOV-KRWDZBQOSA-N 294.358 3.704 30 20 CHED N#CCSCCCN[C@@H]1CCC[C@H]1Cc1ccccc1 191367290 MYMHSXAAJPHGGF-DLBZAZTESA-N 288.460 3.634 30 20 CHED CCC1CCC(CNCc2ccc(OC)c(C#N)c2)CC1 87823804 AGYBVUJYSLAOMF-UHFFFAOYSA-N 286.419 3.873 30 20 CHED CSc1ccc(C)c(C(=O)[C@H](C#N)c2ccccn2)c1 48540431 XEFIIFXCJBVXJH-CQSZACIVSA-N 282.368 3.602 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(-c3cccs3)on2)C1 612162251 LTNBIZNPYWYXRF-OAHLLOKOSA-N 287.388 3.529 30 20 CHED C=CC[C@@H](C)[C@H](C)NCCc1cc(C(F)(F)F)ccn1 516168929 PCMBJWJWQCJHDL-NEPJUHHUSA-N 286.341 3.833 30 20 CHED C=C[C@@H]1OCCC[C@H]1c1nc([C@@H]2CCCC[C@@H]2C)no1 424351421 WRRDWYNEAOHSAO-DGAVXFQQSA-N 276.380 3.812 30 20 CHED C[C@@H]1CCC[C@H]1/N=C(/O)Cc1ccc2c(c1)N=C(O)C2 328863306 ZEZHAXKQXIQNDU-ZWNOBZJWSA-N 272.348 3.518 30 20 CHED O/C(CCn1ccnn1)=N/C1CCC2(CCCCC2)CC1 328741487 MIQRMSXHSWQPPQ-UHFFFAOYSA-N 290.411 3.518 30 20 CHED N#Cc1ccc(CNc2cc(C(F)(F)F)ccn2)s1 192148756 NWDJVWKXHCFEDU-UHFFFAOYSA-N 283.278 3.646 30 20 CHED N#Cc1ccc(Cl)cc1NCC[C@@H]1CCCCO1 227316072 ILTUZQAQCNJGNA-ZDUSSCGKSA-N 264.756 3.583 30 20 CHED Cc1nc(C(C)C)oc1CN(CCC#N)Cc1ccco1 428235288 AWQVXFWDJZPYAF-UHFFFAOYSA-N 287.363 3.615 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](OC)c1ccccc1F 424760789 VSGSISLDZCBHAT-WFASDCNBSA-N 293.382 3.620 30 20 CHED C=CCC[C@H](CCC)NC[C@@]1(C)C[C@H]2CC[C@H]1O2 424284934 CYAUDQRXRCKEQZ-ZJIFWQFVSA-N 251.414 3.669 30 20 CHED C=CCCN[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 338571168 OUADVYZVROMCEE-INIZCTEOSA-N 275.392 3.544 30 20 CHED CC1(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC1 335779342 NLMDJLMBJGILCY-UHFFFAOYSA-N 256.349 3.616 30 20 CHED N#Cc1cccc(Cl)c1NCCOC1CCCCC1 516123599 FTUBSCZFBWFEAM-UHFFFAOYSA-N 278.783 3.973 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C(C)(C)C 425639311 PDBWLRRJJPTPPJ-CHWSQXEVSA-N 272.392 3.760 30 20 CHED N#CCCCN1CC=C(c2ccccc2Cl)CC1 91842970 UWXVMDXJMHKADY-UHFFFAOYSA-N 260.768 3.733 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1ccccc1Cl 195434638 MCYWOQKIMDOVQP-NEPJUHHUSA-N 250.773 3.883 30 20 CHED Cc1cccc(O[C@@H](C)CNCc2ccc(C#N)c(F)c2)c1 421368442 UZJQVJKTMHNCSE-AWEZNQCLSA-N 298.361 3.563 30 20 CHED C=CCCC1(C(=O)Nc2ccc3ccnc(O)c3c2)CC1 425112947 DODOKLNBUXXODK-UHFFFAOYSA-N 282.343 3.625 30 20 CHED CC#CCCN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 425536079 ODIIPDPVQLWSJS-ZDUSSCGKSA-N 294.320 3.833 30 20 CHED Cc1ccc2c(c1)CC[C@@H](C(O)=Nc1ccc(C)nc1C)O2 330017981 SBPYGEYUCXQAHR-KRWDZBQOSA-N 296.370 3.989 30 20 CHED CCCCCCCCC(=O)NCc1c(C)noc1C 148477632 FACUXZLYPGVWDD-UHFFFAOYSA-N 266.385 3.658 30 20 CHED Cc1ccc(Cc2noc(C3(C#N)CCCCC3)n2)cc1 330904593 MIBPNAYNKDMVEJ-UHFFFAOYSA-N 281.359 3.694 30 20 CHED C=C(C)[C@H](CC(=O)N1C[C@H](C)Cc2ccccc21)OCC 339352859 QQFCYIKTOMNUQA-PBHICJAKSA-N 287.403 3.583 30 20 CHED CC(C)(CCC#N)CN1CCC(OC2CCCC2)CC1 92759130 XWMLFYZDMOGSAJ-UHFFFAOYSA-N 278.440 3.740 30 20 CHED Cc1ncc(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)c(C(C)C)n1 331065662 FMTPPVWGWWQCIW-DGCLKSJQSA-N 275.396 3.649 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2C[C@H]2c2ccc(F)cc2)n1 432931188 JKZLXTSHBWDRKH-GOEBONIOSA-N 281.334 3.677 30 20 CHED C=CC1CCN(c2ccc3cc(C#N)ccc3n2)CC1 92897257 JIJQHVOIYXNFCC-UHFFFAOYSA-N 263.344 3.509 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 248268160 ULTKTCKOBPLLRW-CYBMUJFWSA-N 295.810 3.840 30 20 CHED CC#CCCCC(=O)N(C)c1ccc(Cl)cc1F 439184853 HXHJKHOGKPQNNI-UHFFFAOYSA-N 267.731 3.636 30 20 CHED CS[C@@H]1CCCCN([C@H](C)c2cccc(C#N)c2)C1 248958895 QPYCFJWFSODMTD-CZUORRHYSA-N 274.433 3.837 30 20 CHED C=CCCC1(C(=O)N2Cc3ccccc3O[C@H](C)C2)CC1 346645929 BXNXDWXFYZMVGP-CQSZACIVSA-N 285.387 3.543 30 20 CHED CCOc1ccc(C#N)cc1NCCCc1cnccc1C 348133434 LUFWAUKWOGZUGS-UHFFFAOYSA-N 295.386 3.705 30 20 CHED COc1ccc(NC(=O)CC2(C#N)CCCCC2)c(F)c1 601714293 WLUHDGDRBOSJHU-UHFFFAOYSA-N 290.338 3.637 30 20 CHED C=CCCCCCN(C)C(=O)COc1c(C)cccc1C 606817058 RWAJSSRUVUVNEL-UHFFFAOYSA-N 289.419 3.887 30 20 CHED N#CCc1ccc(CSCc2ccc(CO)cc2)cc1 342556087 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754271337 VXBCDMPSEXIIFL-SNVBAGLBSA-N 278.783 3.624 30 20 CHED C=CCCN[C@H](C)c1cc(Br)cc(C)c1O 850502973 YGFBWRBCGZHUJQ-SNVBAGLBSA-N 284.197 3.690 30 20 CHED CCCCCCCCNC(=O)c1ncoc1C(C)C 754855004 RICZIJURLKZOFN-UHFFFAOYSA-N 266.385 3.888 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccccc1C1CC1 751030600 BEKZFUBIKZJDGU-MDZDMXLPSA-N 266.344 3.502 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(C)cn1)c1ccccc1 753116426 HMEBJLHMDONDPD-INIZCTEOSA-N 280.371 3.827 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H](OC)c1ccc(F)cc1 859724913 OSSDOHZUFVKBOA-CQSZACIVSA-N 280.339 3.659 30 20 CHED C=C(C)CCNc1ccc(OC(F)F)c(OC)c1 853063621 DDLBPMBPQMWAQY-UHFFFAOYSA-N 257.280 3.675 30 20 CHED COc1ccc([C@H]2CCCCC2=NNC2CC2)cc1F 758130113 UKCCNDOQMKOBOP-CYBMUJFWSA-N 276.355 3.600 30 20 CHED CC1CCC(COC(=O)c2ccccc2OCC#N)CC1 754793067 RYZXDNHEYRZANA-UHFFFAOYSA-N 287.359 3.572 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(C)cc1O 696127620 USYVXVFZUZLWOX-CYBMUJFWSA-N 265.422 3.661 30 20 CHED CC[C@@H](C)N(CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 930761955 YGYUJEMFJIVNAD-OLZOCXBDSA-N 289.379 3.630 30 20 CHED Cc1nc(C#N)c(NN=C2C[C@H](C(C)C)c3ccccc32)o1 766450524 NLOXDKCELVQYPZ-CQSZACIVSA-N 294.358 3.814 30 20 CHED C/C(C=NN1CCOC1=O)=C\c1ccccc1C(F)(F)F 863161683 UKSRTLWYIWHVPT-VPBCOVHZSA-N 298.264 3.547 30 20 CHED N#Cc1cccc(CSCc2cccc3nsnc23)c1 764668493 SVMQSWBOWOXJQK-UHFFFAOYSA-N 297.408 3.996 30 20 CHED C=CCOCC(=O)O[C@@H](CC)c1ccc(Cl)cc1F 767598418 KGTJUHIZKYHQCJ-ZDUSSCGKSA-N 286.730 3.676 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N1CCc2ccc(C#N)cc21 935099643 WQJJDTGDKWMDTG-AWEZNQCLSA-N 290.366 3.560 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)Oc1ccc(C#N)c(C)c1 765093719 MBHQBPDNIDQLOW-MRXNPFEDSA-N 287.359 3.510 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ccc(F)cc1 767035244 VTGFTSXVFNPANN-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 767236388 CJQIRTIEBGOIGV-HYJFEMIMSA-N 295.426 3.516 30 20 CHED C#CCCCCCCN[C@H]1CCO[C@@H](CC(C)C)C1 877143077 ZVMQQQPFBDODFU-IRXDYDNUSA-N 265.441 3.753 30 20 CHED C#CC[C@H](NCc1ccc(C#N)c(C)c1)c1ccccc1 767685250 GPQKONSKZGTQNZ-IBGZPJMESA-N 274.367 3.721 30 20 CHED Cc1cc(C)c(NC(=O)/C=C\c2ccccc2C#N)cc1O 762699816 TWJDYXLNHFIQFR-FPLPWBNLSA-N 292.338 3.533 30 20 CHED N#Cc1cccc(CNc2ccc(OC3CCCC3)cc2)n1 876821056 BASHFKTZUXHULT-UHFFFAOYSA-N 293.370 3.887 30 20 CHED C=CCCOCC(=O)O[C@H](C)c1cc(C)c(OC)cc1C 770026638 KREZYULFNLQZHV-CQSZACIVSA-N 292.375 3.509 30 20 CHED COc1cccc(NN=C/C(C)=C\c2ccccc2)n1 779817295 JGSJAHDIOMOKRF-LYKSIUJXSA-N 267.332 3.591 30 20 CHED CCCCCCCCCN[C@H](C)c1noc(C)n1 1116771490 RPNJOHAQCQXLAL-GFCCVEGCSA-N 253.390 3.779 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cccc(Br)c1O 775152509 NHZDXKUMDSEOTM-WDEREUQCSA-N 298.224 3.845 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(C#N)cc1F)C2=O 772805487 HTPZIHQXQWNMRL-NVNXTCNLSA-N 277.298 3.828 30 20 CHED C=C(C)CCN(Cc1ccco1)Cc1ccccc1O 775630759 DGWQOXIISBUXRX-UHFFFAOYSA-N 271.360 3.954 30 20 CHED N#CCOc1cccc(NCc2cnc3ccccc3c2)c1 779585899 KOTGZKAHIAGUSY-UHFFFAOYSA-N 289.338 3.749 30 20 CHED C=CCC[C@H](CC)N[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1 776864278 JEUDMIDAGFWMKQ-OAGGEKHMSA-N 296.455 3.578 30 20 CHED N#CCC[C@H](N[C@H]1CCc2cccnc21)c1ccccc1 886553662 SNPCKLNQMGIKRZ-IRXDYDNUSA-N 277.371 3.704 30 20 CHED C=C1CCC(C(=O)N[C@](C)(CC)C(F)(F)F)CC1 889254347 UWGXNYJVAJVTDG-GFCCVEGCSA-N 263.303 3.580 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1sccc1C#N 1129424391 LDXUDUZZNQTHQC-DGCLKSJQSA-N 276.405 3.566 30 20 CHED C=CCCC[C@H](NCCC1CC(O)C1)c1ccccc1 883218963 KBGGMNPKPDSXOT-VJFUWPCTSA-N 273.420 3.835 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)CC2(C#N)CCCCC2)C1 1125457381 UOBQUMHXXOQPOJ-GJZGRUSLSA-N 276.424 3.793 30 20 CHED CC(C)(C#N)CC(=O)Oc1ccc(-c2cscn2)cc1 784001803 RHVXQZHTWMSBFM-UHFFFAOYSA-N 286.356 3.655 30 20 CHED CCCN(CC)c1nnc([C@H](C)CCC#N)n1CC(C)C 1122684223 ACHCWNOOQMSACW-CQSZACIVSA-N 291.443 3.578 30 20 CHED C=CCCC[C@H](C)NC(=S)NCCc1ccc(F)cc1 789295966 YGOZXJPUZQFIBT-ZDUSSCGKSA-N 294.439 3.577 30 20 CHED CCCC[C@H]1CCCC1=NNCCC(=O)OC(C)(C)C 783868627 IWOFIFJBYHKQLG-ZDUSSCGKSA-N 282.428 3.654 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cncs2)c(C)c1 787171796 CQTJXRNXOLFJCA-SNAWJCMRSA-N 257.358 3.964 30 20 CHED CC(=NNCCc1ccncc1)c1ccc(C(C)C)cc1 789085903 OHTZJNDYMLFHTJ-UHFFFAOYSA-N 281.403 3.761 30 20 CHED C#CCCCCCC(=O)OCc1coc(-c2ccccc2)n1 780256341 GBQWZQFTRNZRGC-UHFFFAOYSA-N 297.354 3.969 30 20 CHED Cc1cscc1CNCc1ccc(N(C)CCC#N)cc1 785521200 HMZXVEJTQIVONU-UHFFFAOYSA-N 299.443 3.696 30 20 CHED CC(C)[C@H](F)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 784147845 ZRKMTAFZBYDKDU-CABCVRRESA-N 290.382 3.659 30 20 CHED C#CCC1(C(=O)N[C@H]2CCCc3occc32)CCCCC1 788149425 WSGXADPOSPNHGP-HNNXBMFYSA-N 285.387 3.747 30 20 CHED CC(C)CC(CC(C)C)NCc1ccc(C#N)cn1 783301472 WXNBYGOGGGAEDA-UHFFFAOYSA-N 259.397 3.504 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc(N=S(C)(C)=O)c1 896038446 QADCXKDFCNLTAL-GFCCVEGCSA-N 293.436 3.786 30 20 CHED Cc1cc(/C=C\C(=O)c2coc(C(C)C)n2)cnc1F 899370169 AOWHYNSLMFYNHD-PLNGDYQASA-N 274.295 3.537 30 20 CHED O=c1[nH]ccc2cc(NN=C/C=C\c3ccccc3)ccc12 789074283 ZFWCOMOOMPWDMZ-MVSXKZRCSA-N 289.338 3.639 30 20 CHED Cc1cn2c(C=NN[C@H]3CCCC3(C)C)c(C)nc2s1 782299844 JKWQAOKXBMBVKD-ZDUSSCGKSA-N 290.436 3.515 30 20 CHED N#CC1(CCCCS(=O)(=O)CC2CCCCC2)CCC1 899474167 QGXSBQUKHFNMPV-UHFFFAOYSA-N 297.464 3.846 30 20 CHED C=CCN(CC(=O)Nc1cccc(Cl)c1Cl)C1CC1 271327798 AGKXYIXFBPQUJR-UHFFFAOYSA-N 299.201 3.582 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Br)cc1 393816595 JEFIWGSRSVTIOJ-LBPRGKRZSA-N 282.181 3.534 30 20 CHED FC(F)(F)CCNN=Cc1ccc(N2CCCCC2)cc1 794544723 DUJFTTNCPJXENH-UHFFFAOYSA-N 299.340 3.553 30 20 CHED Cc1csc([C@H](C)Nc2ccc(OCC#N)cc2)n1 701955308 AHGGQHFSGLCWPL-NSHDSACASA-N 273.361 3.527 30 20 CHED C[C@H](Cc1cccc(F)c1)Nc1ccc(CC#N)cc1 133739424 XGEUBFHATRGKQV-CYBMUJFWSA-N 268.335 3.935 30 20 CHED C#C[C@H](CCC)NC(=O)C(C)(C)c1ccc(Cl)cc1F 791742728 JQXFLWFBVXILQF-GFCCVEGCSA-N 295.785 3.675 30 20 CHED COc1ccc(NN=C[C@H]2C[C@@H]2C)c(C(F)(F)F)c1 793110757 BNIBFEHHSDVVNP-DTWKUNHWSA-N 272.270 3.768 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)c1cc[nH]c1C(C)C 795783039 DYJQLBPGVZVZHT-UHFFFAOYSA-N 298.361 3.553 30 20 CHED CCC(=NNc1nc2ccccn2n1)c1ccc(Cl)cc1 790199833 LLOQVNCVNXRBKI-UHFFFAOYSA-N 299.765 3.609 30 20 CHED N#CCC1(CNc2ccc(C(F)(F)F)c(Cl)n2)CC1 797437764 QNHVXJKSXWYWKP-UHFFFAOYSA-N 289.688 3.860 30 20 CHED C[C@H](OC(=O)c1ncccc1Cl)c1cccc(C#N)c1 796582829 ILMLRMXFBLARFD-JTQLQIEISA-N 286.718 3.525 30 20 CHED C/C=C(\C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572193 UVVGQAQMOCPUDU-OLKPEBQYSA-N 262.378 3.583 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCc3ccc(Cl)cc32)o1 796835271 XOOGKIOQIDSVAK-ZDUSSCGKSA-N 287.702 3.649 30 20 CHED CC[C@H](CNc1cc(C#N)ccc1OC)CC(F)F 594702849 YGWVZJVTPOGKIZ-JTQLQIEISA-N 268.307 3.660 30 20 CHED CCC1=C(C(=O)N(CCC#N)CC(CC)CC)CCCO1 790590268 FXRDGLZFTVZEMN-UHFFFAOYSA-N 292.423 3.639 30 20 CHED CC(=NN=C(C)c1cnccn1)c1cccc(CC(C)C)c1 794913900 CPSIGCMNXZKGIL-UHFFFAOYSA-N 294.402 3.908 30 20 CHED CC(=NNc1cncnc1)c1cccc(CC(C)C)c1 794976050 BUWOFKVNDFNVRS-UHFFFAOYSA-N 268.364 3.511 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1ccc(C(C)C)nc1 799443411 ZQRSWIHVQGTMFA-UHFFFAOYSA-N 294.354 3.858 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1 664334155 VVLRUCNJPXENIH-CQSZACIVSA-N 258.365 3.815 30 20 CHED CCCCCCCCNC(=O)N1C[C@H](C)O[C@H](C2CC2)C1 792149054 PYVMNBUOYCNSHX-HOCLYGCPSA-N 296.455 3.556 30 20 CHED CON=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 799475357 AHCGBZFUVDZDEL-JTQLQIEISA-N 257.255 3.975 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(C)C 799048543 NNNOHPOFUMIVTC-IAGOWNOFSA-N 271.404 3.590 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cnc2ccccc2c1 798653560 OLCYYNALCARMCR-QGZVFWFLSA-N 269.344 3.880 30 20 CHED COc1cc(Cl)ccc1NCc1cccc(C#N)c1F 774370830 PRULRZFXWAOMDP-UHFFFAOYSA-N 290.725 3.971 30 20 CHED COc1cccc(COc2ccccc2C#N)c1Cl 1164661269 WXGJZUJODDTSFB-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CN1CCN(CCC2(C#N)CCCCC2)Cc2ccccc21 1167309874 JUFMHISHYKFNOG-UHFFFAOYSA-N 297.446 3.803 30 20 CHED CC(=NOC(C)(C)C)c1nc2cc(Cl)ccc2n1C 1319579648 XGKDPVIAWQVJPV-UHFFFAOYSA-N 279.771 3.766 30 20 CHED C[C@H](Cc1ccccc1Cl)NCC1(C#N)CCC1 1170247719 LLNWAUYBDMAUFV-GFCCVEGCSA-N 262.784 3.554 30 20 CHED CC(=NNc1ccc(F)cc1)c1c(C)nc2sccn12 1322492499 DQIBPOIHKZKBMA-UHFFFAOYSA-N 288.351 3.679 30 20 CHED COc1ccc(Cl)cc1CCN[C@@H]1CCC[C@H](C#N)C1 1322129281 FGFBRAUSORTXJF-SWLSCSKDSA-N 292.810 3.563 30 20 CHED C=CCC(C)(C)C(=O)NCCc1coc(-c2ccccc2)n1 1327816428 JPMKMUJTNJEKCU-UHFFFAOYSA-N 298.386 3.603 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1csc(C#N)c1 1324717342 WHIKPGMDJFISBT-BDJLRTHQSA-N 296.395 3.673 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1csc(C#N)c1 1324353050 SNCPCCUPAUVQGA-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C[C@H](c1ccccc1)N(C(=O)c1csc(C#N)c1)C1CC1 1324399975 NEGFIIICYYJIHE-GFCCVEGCSA-N 296.395 3.986 30 20 CHED Cn1cc(CSc2ccc(C#N)cc2F)c(C(F)F)n1 1321269169 GJVILSSGOFFSBB-UHFFFAOYSA-N 297.305 3.661 30 20 CHED CC(C)(C#N)CCCCN1Cc2ccc([N+](=O)[O-])cc2C1 1321203464 CAKRCLQQIUSFGU-UHFFFAOYSA-N 287.363 3.630 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1ccc(C#N)s1 1329471297 ZJOIRHFTVDVAAH-CYBMUJFWSA-N 269.341 3.581 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)CC#Cc2ccccc2)CC1 1326146759 UMJJMGVKYDNXKO-DOTOQJQBSA-N 269.388 3.513 30 20 CHED CN(C)c1cccc(Cl)c1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 1254136665 VXPPWBXVHHVPOU-SLEUVZQESA-N 291.826 3.518 30 20 CHED C=C[C@@H](COC)NC(=O)Nc1ccc(-c2ccccc2)cc1 1255013533 MTOSSWSOWZNVGH-INIZCTEOSA-N 296.370 3.676 30 20 CHED N#Cc1cncc(Oc2ccc(Cl)c(C(F)(F)F)c2)n1 1184564114 OJPRIXJTYTYVGX-UHFFFAOYSA-N 299.639 3.813 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](Cc2ccccc2)C1 1333039242 PCKVRMSFMWHTAU-MRXNPFEDSA-N 271.404 3.680 30 20 CHED C=C1CCC(c2nc(CCc3ccco3)no2)CC1 1334403474 SUHKBPKFDSYBQE-UHFFFAOYSA-N 258.321 3.662 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)CCc1ccccc1F 1339198286 VLWBRMPBFKNIBU-ZFWWWQNUSA-N 290.382 3.545 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)CC(C)(C)C#N 1339321790 AELZFFWTLXTKKL-UHFFFAOYSA-N 264.756 3.835 30 20 CHED CC(C)O[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 1348469770 XXANZMVMPCLGAX-QGZVFWFLSA-N 294.354 3.663 30 20 CHED C/C=C(/C=C\C(=O)OCc1ccc(C#N)s1)CC 1346542021 UVOXQRFRIBAMFD-MJYGYMJXSA-N 261.346 3.575 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)O[C@H]1CC[C@@H](C#N)C1 1347231134 NJXNOEMBIVIXFT-ZNMIVQPWSA-N 263.381 3.994 30 20 CHED CC[C@H](C(=O)N(CC)[C@H](C#N)CC)C1CCC(C)CC1 1289299978 XZZFJHSGWXKYLJ-CKUJCDMFSA-N 278.440 3.990 30 20 CHED C=C1CCC(C(=O)OCc2cc(COC)cs2)CC1 1515667899 CJYDTZACFNCDIM-UHFFFAOYSA-N 280.389 3.684 30 20 CHED CCN(C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccc(C#N)cc1 1360939643 XKEYMLDAQFOANR-OFQRWUPVSA-N 284.403 3.983 30 20 CHED Cc1ccc(C[C@H]2CCCN(C(=O)CC(C)(C)C#N)C2)cc1 1442673698 SGGIESCTHAQLOT-QGZVFWFLSA-N 298.430 3.716 30 20 CHED C=CCCOCCN[C@@H](C)c1cc2c(s1)CCCC2 222449866 VYRMVENIGHBVMA-ZDUSSCGKSA-N 279.449 3.870 30 20 CHED CC(C)N(CCOc1cccc(C#N)c1)c1ccccc1 1459678217 WIFCVZSQPOGTHP-UHFFFAOYSA-N 280.371 3.852 30 20 CHED N#Cc1cccc2c1CCN2C(=O)c1cccc(C(F)F)c1 1526023489 NVHYSEMRHKUBFF-UHFFFAOYSA-N 298.292 3.699 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1529198841 ULFLCLIATDZPQJ-DOTOQJQBSA-N 298.430 3.969 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(c1cccc(C#N)c1)C1CCC1 1461561485 RJRVOUTZYIBRJN-RHSMWYFYSA-N 282.387 3.880 30 20 CHED CC(C)C[C@H](Sc1cccc(Cl)c1C#N)C(=O)O 1603782317 TVZOTBVVBYPTNR-LBPRGKRZSA-N 283.780 3.803 30 20 CHED Cc1cc(C(=O)N(C)c2ccc(C#N)nc2)c(C)cc1Cl 1616305981 WTAWIACZNPGUDM-UHFFFAOYSA-N 299.761 3.500 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H](CNC)C1 115859076 RPGJUWORLZZQNS-MRXNPFEDSA-N 282.472 3.585 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1543992245 OQMYWUAGNPYDDB-BBRMVZONSA-N 290.794 3.857 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NN[C@@H](C)C(F)F 1552027726 RPSDSCGRJTYGSS-NJZAAPMLSA-N 296.361 3.568 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H](C(C)(C)C)CC1 119863102 YPSMUBSPKZVKBM-OAHLLOKOSA-N 263.425 3.855 30 20 CHED Cc1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)ncc1C#N 1585003347 UPSHPUVRFZPYQZ-FVQBIDKESA-N 297.402 3.807 30 20 CHED CC(C)CC1(CNC(=O)Nc2ccc(C#N)cc2)CCC1 1666946438 SBVJNKRTNYRGBO-UHFFFAOYSA-N 285.391 3.896 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)Nc1cc(F)cc(C#N)c1 1679885552 ULDSOLFOMJDQQH-WCQYABFASA-N 289.354 3.645 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)NCC2(C#N)CCC2)CC1 1681626272 NUPAPCXEQUBBMJ-GJZGRUSLSA-N 291.439 3.584 30 20 CHED C=CCCCCCN=c1c(C(=O)O)c[nH]c2c(C)cccc12 1776173482 BLTBHKBJKVKCNI-UHFFFAOYSA-N 298.386 3.822 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1F 14202748 AABOYWUIJDWQDH-GORDUTHDSA-N 298.313 3.665 30 20 CHED Cc1ccc(SCCC(=O)Nc2cccc(C#N)c2)cc1 15739054 HXWDMPNUOFHLSJ-UHFFFAOYSA-N 296.395 3.988 30 20 CHED N#Cc1ccc(Oc2ccc(F)cc2Br)nc1 19487339 CXHXWKLIBGKNOD-UHFFFAOYSA-N 293.095 3.647 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 161104577 GNBGRNNITVNHAI-CHWSQXEVSA-N 283.293 3.501 30 20 CHED C=CCN(C)C(=O)c1cc(C(C)C)nc2ccccc12 161902795 ANCQAIYUSSMEBK-UHFFFAOYSA-N 268.360 3.616 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1C=CCCC1 158215811 ZHHXHJFBSAUYJN-ZDUSSCGKSA-N 276.405 3.554 30 20 CHED COc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1F 158453863 FTBQMIBSEQWXCC-UHFFFAOYSA-N 296.345 3.870 30 20 CHED N#Cc1cccc(SCc2cccc3c2OCCO3)c1 158824394 BWUNKCODTHNZRZ-UHFFFAOYSA-N 283.352 3.622 30 20 CHED C#CCCCCNC(=O)c1c(C)c(CC)nc2ccccc12 163065322 SFOBDYFSBFJGGO-UHFFFAOYSA-N 294.398 3.639 30 20 CHED CCN(C(=O)c1ccc2c(c1)CCC2)c1ccc(C#N)cc1 151845590 PKZJDCITSNINNR-UHFFFAOYSA-N 290.366 3.714 30 20 CHED N#Cc1ccc(N(Cc2cccnc2)C2CC2)cc1Cl 153177547 WVBBCOVPLVCIBN-UHFFFAOYSA-N 283.762 3.776 30 20 CHED C=C[C@H](C)NC(=O)Cc1cc2c(ccc3ccccc32)o1 154159932 PFGCSZIBNIJFNZ-LBPRGKRZSA-N 279.339 3.819 30 20 CHED COc1cc(C#N)ccc1CSCc1cnc(C)s1 159565319 PMDIKFLWBVMWSX-UHFFFAOYSA-N 290.413 3.765 30 20 CHED N#Cc1cccc(NC(=O)N2CCCCCCCC2)c1 836202244 MSPVKKKBSGFJQO-UHFFFAOYSA-N 271.364 3.746 30 20 CHED Cc1cc(C)c(C(=O)Nc2cccc(CC#N)c2)s1 1129089479 NTGLZMOJVSBMST-UHFFFAOYSA-N 270.357 3.683 30 20 CHED Cc1cc(C#N)ccc1NC[C@@H]1CCC(F)(F)C1 846750890 HJEMUHGMSHUPHB-GFCCVEGCSA-N 250.292 3.714 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H]3CCCC[C@H]3C2)n1 250960962 ICWCTGGTXNPRGL-GJZGRUSLSA-N 269.392 3.587 30 20 CHED N#Cc1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 20666628 KHQCNFCMBFRTTL-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C[C@H](NCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 35256339 LMVWYCWXIUBLDI-NSHDSACASA-N 272.298 3.687 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)c1cccs1 37235050 TYVPCSZKICVUCW-LBPRGKRZSA-N 272.373 3.501 30 20 CHED Cc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 37719110 YZMBPZKIHHWISN-AWEZNQCLSA-N 250.345 3.718 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(F)c(C(F)(F)F)c1 43567167 ILPRQHZZRJQSSJ-UHFFFAOYSA-N 287.256 3.659 30 20 CHED N#Cc1ccc(CNc2cccc(C(F)(F)F)n2)cc1 44271478 QOJXNUPZNZLKJL-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(C(C)=O)cc1 181041558 DENBYCXEMSXRSP-LBPRGKRZSA-N 274.364 3.756 30 20 CHED N#Cc1cc(F)c(N2CCC3(CCCC3)C2)c(F)c1 301486442 ZWWXWRHQPVYVQL-UHFFFAOYSA-N 262.303 3.607 30 20 CHED Cc1nc(-c2cccc(NC(=O)C(C)(C)C#N)c2)cs1 193718058 LOENRNMWZUIYME-UHFFFAOYSA-N 285.372 3.607 30 20 CHED CC(C)(CC#N)CNC(=O)c1cccc(C(C)(C)C)c1 516310683 MXEIAGAEASITNF-UHFFFAOYSA-N 272.392 3.654 30 20 CHED C=CCC[C@H](CO)NC1CC(c2ccc(Cl)cc2)C1 321275511 FJBDNEPMHAUPPI-OGVSOVDVSA-N 279.811 3.503 30 20 CHED N#Cc1ccc(CNC(C2CCC2)C2CCC2)s1 324807748 ORRZOPHZUQIBTN-UHFFFAOYSA-N 260.406 3.678 30 20 CHED C=C[C@@H](C)N[C@H]1CCCc2c(Br)cccc21 336745309 QPSLHZVERGZQBQ-YGRLFVJLSA-N 280.209 3.991 30 20 CHED N#Cc1cccc(CCNCc2ccccc2Cl)c1 466411389 ZTXXSPJKFIDSEA-UHFFFAOYSA-N 270.763 3.544 30 20 CHED C=CCC[C@@H](C)NC[C@@H]1CCC2(CCCCC2)O1 477869835 YJAAFWXAFGGVGT-CABCVRRESA-N 251.414 3.813 30 20 CHED Cc1cc(C#N)ccc1CN(C)C1CCC(F)(F)CC1 588216020 DBEKTMMXKASYFS-UHFFFAOYSA-N 278.346 3.876 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCC2(F)F)cc1 381765185 XNVQHPCZEIZKOL-LBPRGKRZSA-N 250.292 3.796 30 20 CHED C=CCCOC(=O)c1cc(SC)ccc1Cl 729072394 KXHYMEVKTRPMHN-UHFFFAOYSA-N 256.754 3.795 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCc2c(O)cccc21 584612797 JUDIOUZCEFCYDG-ZRDIBKRKSA-N 295.294 3.513 30 20 CHED N#Cc1cccc(NC[C@H]2CCCC[C@@H]2C(F)(F)F)n1 610510584 GRYMIEMGFWWBJX-PWSUYJOCSA-N 283.297 3.734 30 20 CHED Cc1cnc2ccccc2c1N1CCC[C@@](C)(C#N)C1 1325222102 GINVDSLNKNBBBJ-KRWDZBQOSA-N 265.360 3.673 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1cccc(OC(F)F)c1 7713152 GXDJXMZLOIXPOL-BQYQJAHWSA-N 290.265 3.890 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccccc1F 55891195 RTJQHTDDWGEWEV-UHFFFAOYSA-N 299.345 3.663 30 20 CHED N#Cc1ccc(CCC(=O)Oc2ccc(Cl)cc2)cc1 10406029 GFBRYRBBNJCWGU-UHFFFAOYSA-N 285.730 3.750 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)C2 108145263 CDXGXNYAPRJKQL-ZROIWOOFSA-N 279.295 3.726 30 20 CHED COCC[C@@H](C)CNc1ccc(C#N)c(C(F)(F)F)c1 413494975 RCLGWCMYNCVRSB-SNVBAGLBSA-N 286.297 3.662 30 20 CHED CC#CCOc1ccc(Br)cc1Cl 307049498 CTTNIHLRNUBYJK-UHFFFAOYSA-N 259.530 3.505 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1Cc1ccccc1Cl 57140407 HUVDQYFEDUFGKB-HNNXBMFYSA-N 297.789 3.818 30 20 CHED CC[C@H](C#N)Oc1cccc(C/N=C/c2ccccc2O)c1 113771579 OWYVRMFENAMONY-RBYWHNRPSA-N 294.354 3.692 30 20 CHED C=CCCCC(=O)N(C)[C@H](C)c1ccc(OC)cc1 175217366 WWYUVUPJEJAMKA-CYBMUJFWSA-N 261.365 3.571 30 20 CHED Cc1ccccc1C1(C(=O)Nc2cccc(C#N)c2)CC1 170700149 FOQSCGVZOCERCK-UHFFFAOYSA-N 276.339 3.537 30 20 CHED C=CCNC(=O)N(C)[C@@H](c1ccccc1C)C(C)C 112430175 ZSHMTTKYCNCDIO-OAHLLOKOSA-N 260.381 3.520 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)c1ccc(F)c(F)c1 57383599 JYQFHXNSMSSWGR-NSHDSACASA-N 292.329 3.616 30 20 CHED CN(C(=O)c1ccc(Cl)cc1Cl)C1(C#N)CCC1 67684077 ZJBUCZBIZPHENQ-UHFFFAOYSA-N 283.158 3.512 30 20 CHED C=CCNC(=O)[C@@H](C)Nc1cc(Cl)ccc1SCC 105413157 KXVDYQRQIQINDY-SNVBAGLBSA-N 298.839 3.555 30 20 CHED COc1cc(CNCC(C)(C)CCC#N)c2ccccc2n1 174582515 TVYLMPHXWHBOAP-UHFFFAOYSA-N 297.402 3.663 30 20 CHED CCCCOCCCNc1cc(Cl)ccc1C#N 134825287 ILSCKLYDRGNGOW-UHFFFAOYSA-N 266.772 3.830 30 20 CHED Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C)CC#N 113687906 SNLBUOMQTQABAV-JTQLQIEISA-N 286.356 3.578 30 20 CHED C=C(C)[C@H](Nc1nnc(C)s1)c1ccc(F)c(F)c1 302397650 KIPDXBHBRLTDPQ-LBPRGKRZSA-N 281.331 3.854 30 20 CHED Cc1ccc(NC(=O)CNc2cc(C#N)ccc2C)cc1C 63890058 KWHRJZDECJENLQ-UHFFFAOYSA-N 293.370 3.534 30 20 CHED N#Cc1ccc(Nc2ccc(CC(F)(F)F)cc2)nc1 301440092 TYEACHVXTGNSNM-UHFFFAOYSA-N 277.249 3.802 30 20 CHED CCN(CC)c1ccc(/C=C/C(=O)c2cnn(CC)c2)cc1 65999930 SQDGUCVFNLUPLQ-FMIVXFBMSA-N 297.402 3.645 30 20 CHED N#Cc1cc(F)ccc1CSc1ccccc1C#N 173707721 IRTFOZFAHKNJTC-UHFFFAOYSA-N 268.316 3.861 30 20 CHED C=CCCCCCN1CCC[C@@H]1C[C@@H](O)c1ccco1 248737907 PGPHENBPESBZSQ-HZPDHXFCSA-N 277.408 3.914 30 20 CHED Cc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 60463611 JMXQGBFOCUSDOK-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C#CCCCCC(=O)N[C@H](C)Cc1cc(C)cc(C)c1 119915595 WZLUSBRVFOPKAG-MRXNPFEDSA-N 271.404 3.544 30 20 CHED N#CC1(C(=O)N2CCC[C@H](c3ccccc3)CC2)CCCC1 66764802 ZGRDUGNJIGEFMS-KRWDZBQOSA-N 296.414 3.867 30 20 CHED C#CCCCCC(=O)NCC(C)(C)c1ccccc1Cl 119800004 SYAPQXGXYGUQHJ-UHFFFAOYSA-N 291.822 3.927 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)Cc1ccc(C)cc1C 303341976 LTLJHVNLKQVTCL-INIZCTEOSA-N 286.419 3.618 30 20 CHED CC1(C)CCC(CNCc2cc(C#N)cs2)CC1 310957956 GDRQQLYSWSQSEK-UHFFFAOYSA-N 262.422 3.926 30 20 CHED N#Cc1nc(Oc2ccc(F)cc2F)ccc1Cl 301500896 DTEAZMDJXOFORY-UHFFFAOYSA-N 266.634 3.677 30 20 CHED Cc1nc2c(c(Oc3ccc(C#N)cc3Cl)n1)CCCC2 301569058 NEWSYSWCYUTKCY-UHFFFAOYSA-N 299.761 3.981 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1ccc2c(c1)CCCC2 61247913 AXAYYKRQLKECJM-ZDUSSCGKSA-N 288.460 3.667 30 20 CHED Cc1cc([C@H](C)Nc2nc3ccccn3c2C#N)c(C)o1 302072887 FROMQFLPKKILAY-NSHDSACASA-N 280.331 3.589 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 116862678 NCFGDVJQAABVPS-ZIAGYGMSSA-N 275.392 3.658 30 20 CHED C[C@H](CC#N)NC(=O)Cc1cc2c(ccc3ccccc32)o1 178767971 ANOBCXUYZBLLRO-GFCCVEGCSA-N 292.338 3.547 30 20 CHED CC(C)C[C@@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2n1C 171033468 YOMOUZFWLBKWPJ-ZIAGYGMSSA-N 297.402 3.822 30 20 CHED Cc1cccc(Oc2ccccc2C/N=C(\N)NC(C)C)c1 304759162 QVTJBDVLUMFXFE-UHFFFAOYSA-N 297.402 3.600 30 20 CHED Cc1ccccc1[C@@H](Nc1ccc(C#N)nn1)C(C)(C)C 301951930 JFJSUSGFOLGNLR-MRXNPFEDSA-N 280.375 3.856 30 20 CHED CCN(CCC#N)Cc1c(OC)ccc2ccccc12 127594639 XGMGMBTYLNRUOR-UHFFFAOYSA-N 268.360 3.584 30 20 CHED Cc1cccc2c(CCC(=O)OCC3(CC#N)CC3)c[nH]c12 174751028 NPZATJJZXLYYIO-UHFFFAOYSA-N 296.370 3.646 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 127621568 MNRUWOYRXYGYAT-GOSISDBHSA-N 291.354 3.743 30 20 CHED Cc1nc(-c2cccc(NC(=O)C3(C#N)CCC3)c2)cs1 128388459 JAULZWWAQHDPLS-UHFFFAOYSA-N 297.383 3.751 30 20 CHED C=CCC[C@H](C)NCc1ccc(Br)s1 126791279 AQOPNIXCPVWIFN-VIFPVBQESA-N 274.227 3.955 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccc(Cl)s2)o1 127755290 ZKQFKHKASMKGLD-LURJTMIESA-N 285.781 3.846 30 20 CHED COc1cc(C)ccc1CN[C@@H](C)c1ccc(C#N)cc1 124553515 DMSBHJODQLKRJZ-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OC)c(OC(C)C)c1 184206229 GAJQBJHFMUDRCQ-UHFFFAOYSA-N 292.379 3.522 30 20 CHED C=C(C)CCNC(C)(C)c1nc(C(F)(F)F)cs1 509605245 PEHXOHNFALEQLU-UHFFFAOYSA-N 278.343 3.953 30 20 CHED Cc1cc(C)c(C(=O)O[C@H](C)c2ccc(C#N)cc2)o1 79172978 CJYIBPYUODRXGN-GFCCVEGCSA-N 269.300 3.686 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1nc(C(C)(C)C)cs1 184454771 QRAAMKGZNAETRW-NEPJUHHUSA-N 290.436 3.535 30 20 CHED CC[C@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1 125042553 KBTAXPFUFOOZBC-OAHLLOKOSA-N 284.403 3.865 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](OC)c1cccc(Cl)c1 188466147 DRUVQSDZSZHJFV-GDBMZVCRSA-N 295.810 3.746 30 20 CHED C[C@H](NC(=O)C(C)(C)C#N)c1cc(Cl)ccc1Cl 188271728 MZGVCYAKQJLWIL-QMMMGPOBSA-N 285.174 3.720 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)C1CCC1 128054245 ZQUAVNDUNMRILS-AWEZNQCLSA-N 272.392 3.573 30 20 CHED CC#CCCCC(=O)NCCOc1cccc2ccccc12 185230939 ODLZARFZMMZJBF-UHFFFAOYSA-N 295.382 3.528 30 20 CHED N#CC1(CNCc2cc(Cl)ccc2Cl)CCC1 418145602 YJIWOYJJJZLBHV-UHFFFAOYSA-N 269.175 3.777 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C)cc(Br)c1 124280563 BHKVDKUUWKGGIX-UHFFFAOYSA-N 294.192 3.572 30 20 CHED CC(C)[C@@]1(CO)CCCN(CCC2(C#N)CCCCC2)C1 411774184 ZVNGBYMYMYIDDO-SFHVURJKSA-N 292.467 3.581 30 20 CHED C=C(C)[C@H](NC(=O)CCCOCC)c1ccc(F)c(F)c1 186045278 DVNPDEPRBZQZFO-INIZCTEOSA-N 297.345 3.515 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@H](C)c1ccccc1Cl 128596102 FNWNCIOWPAPYJX-WDEREUQCSA-N 266.772 3.617 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1ccc(C(C)C)cc1 317386513 GEXPMYFXUDOQHL-UHFFFAOYSA-N 294.354 3.943 30 20 CHED C=CCC[C@@H](C)NCc1ccc(OC(F)F)cc1 130522366 VMOWYBCQERSPJV-LLVKDONJSA-N 255.308 3.732 30 20 CHED Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c(CN(C)C)c1 185747534 XAFWFUJGCVEVHY-GDBMZVCRSA-N 271.408 3.551 30 20 CHED C=CCCCCCN(C)C(=O)CCc1c(C)noc1Cl 128746934 QCRNWGNGILRERM-UHFFFAOYSA-N 298.814 3.774 30 20 CHED CCCCCC[C@](C)(CCC)C(=O)/N=C1/NCCS1 79336831 YNNFVDJMJPWKEV-HNNXBMFYSA-N 284.469 3.982 30 20 CHED Cc1cc(CNCc2ccc(Cl)s2)ccc1C#N 443986086 ZFTBEEJMLXXLHG-UHFFFAOYSA-N 276.792 3.871 30 20 CHED CCC[C@H](Cc1ccccc1)NCC1(C#N)CCC1 418140456 JLWITRHVKVBBNT-MRXNPFEDSA-N 256.393 3.681 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)CCCC#N)C1(C)C 412832884 XMFGTYIXNWOULB-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED CC(C)c1cnc(CN(C)Cc2cccc(C#N)c2)s1 182987082 GMKKFHWEAGACLO-UHFFFAOYSA-N 285.416 3.770 30 20 CHED C[C@H](C#N)CNC(=O)N[C@@H](CC1CCCC1)c1ccccc1 182733150 LDBLQNPFEHCXLX-PBHICJAKSA-N 299.418 3.767 30 20 CHED N#Cc1cccc(NC(=O)CCc2ccc3[nH]ccc3c2)c1 183446275 LTAKZNQNOLSPFP-UHFFFAOYSA-N 289.338 3.611 30 20 CHED COc1ccc(OCC2(C#N)CCC2)c2ccccc12 418889552 QJGVTBUSNUSPSD-UHFFFAOYSA-N 267.328 3.921 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)CCCc1ccccc1 410835154 MSHVRYYGYPHXJQ-NVXWUHKLSA-N 286.419 3.796 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccccc1OC(C)C 79743013 URRCTLDBXCTTIB-UHFFFAOYSA-N 290.407 3.581 30 20 CHED C=CCCCN(C)Cc1cc(Cl)ccc1OC 605149664 MVNQPEXIJRMQKO-UHFFFAOYSA-N 253.773 3.747 30 20 CHED CCN(C(=O)c1[nH]c(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 131307008 VUCYIADIERTBDO-AWEZNQCLSA-N 295.386 3.727 30 20 CHED C=CCC1(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CCC1 188367505 TVMZMJCIOQYWEG-UHFFFAOYSA-N 281.359 3.762 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)CC(C)(C)CC 73051156 GQAJVUWGGMOKMM-UHFFFAOYSA-N 274.364 3.722 30 20 CHED N#C[C@H](/N=C(/O)[C@@H]1CC12CCCC2)c1ccc(F)cc1 329953253 JHQPHLYKJZYZSM-KBPBESRZSA-N 272.323 3.927 30 20 CHED CC(C)c1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1 86281088 VRQTVIQDNCFYKP-LBPRGKRZSA-N 259.353 3.576 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)[C@H](OC)c1ccccc1Cl 410684042 MWRWDLKBDBDVCA-FZMZJTMJSA-N 295.810 3.744 30 20 CHED N#CC1CCC(CNC(=O)c2ccc3c(c2)CCC=C3)CC1 328876343 KDDONYZAPUJNII-UHFFFAOYSA-N 294.398 3.706 30 20 CHED Cc1cc(CSC[C@H]2C[C@H]3CC[C@H]2O3)ccc1C#N 419566162 OWBDDBTWBWLJRU-BZUAXINKSA-N 273.401 3.667 30 20 CHED C=CCN(CC=C)C(=O)Cc1ccc(Cl)c(Cl)c1 47465452 ZIAVMZQFFRQTNS-UHFFFAOYSA-N 284.186 3.737 30 20 CHED C=CCCC1=NN=C(Nc2cccc(C)c2)SC1 134437537 DDXJPIFBMQRCFA-UHFFFAOYSA-N 259.378 3.832 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2ncsc2c1 190564894 UNQOQQWTSSMJHR-AWEZNQCLSA-N 260.362 3.837 30 20 CHED C[C@@H]1CCC[C@@H](/N=C(/O)Cc2ccc3n[nH]cc3c2)C1 329999087 UDCXDYKFJATMMG-BXUZGUMPSA-N 271.364 3.641 30 20 CHED C=CCCCCCN[C@H](C)[C@H]1CCCN(C2CCC2)C1 193549376 QZZHWEWDMIJGNB-SJORKVTESA-N 278.484 3.975 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2cc(C#N)cs2)c1 84108750 KBJDDJDDLVDOOG-GFCCVEGCSA-N 284.384 3.728 30 20 CHED COc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1C#N 87823780 KEHZLTGJMCLTQT-AWEZNQCLSA-N 280.371 3.726 30 20 CHED N#CCCCOc1cccnc1NC(=O)C1=CCCCCC1 130465674 AXVYNQPNNFFDEB-UHFFFAOYSA-N 299.374 3.593 30 20 CHED C=C(C)[C@@H](NC(=O)CC1(C)CC1)c1ccc(F)c(F)c1 429094266 PVHSUVITTWRGCU-OAHLLOKOSA-N 279.330 3.888 30 20 CHED C=CCCCCCSc1nnc(CSC)o1 195436301 OWFYWBHHYMXZND-UHFFFAOYSA-N 258.412 3.771 30 20 CHED C=CCN(Cc1ccc(OC)c(C#N)c1)Cc1cccs1 134955951 VPSZRXLEASTDIP-UHFFFAOYSA-N 298.411 3.817 30 20 CHED C[C@H]1CC[C@H](/N=C(/O)c2cc(-c3ccncc3)on2)CC1 329356151 FTCULUWUDMMUEW-AULYBMBSSA-N 285.347 3.620 30 20 CHED C=C(Br)CNC[C@H](C)CCc1ccccc1 133133341 MIPWIFRMTRQGOA-GFCCVEGCSA-N 282.225 3.754 30 20 CHED C#CCCCCN[C@@H]1CCc2c(Br)cccc21 229320660 VBLMEVYIZVQFBS-OAHLLOKOSA-N 292.220 3.830 30 20 CHED C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(C)(C)C#N 131634879 PXKKWTKHJUIYAY-NHAQELONSA-N 294.354 3.729 30 20 CHED N#Cc1ccc(CNCC2(c3ccccc3Cl)CC2)o1 132209166 DQBYGOPIWTZMLR-UHFFFAOYSA-N 286.762 3.626 30 20 CHED C=CCOc1ccccc1C(=O)N1CC(C)(C)[C@H]1C1CC1 427270667 WTWDSYJBLQBWGI-MRXNPFEDSA-N 285.387 3.512 30 20 CHED C[C@@H]1CCN([C@@H](C(=N)O)c2ccc(C#N)cc2)C[C@H](C)C1 332234121 QEWSCCUGCUZPGN-XJKCOSOUSA-N 285.391 3.503 30 20 CHED Cn1cc(-c2nc3cc(Cl)ccc3n2C2CC2)cc1C#N 190326431 YVGMZXCIHHRJST-UHFFFAOYSA-N 296.761 3.902 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 424325434 KTQZQIAEYQDUJU-WBQNTZJQSA-N 272.367 3.744 30 20 CHED CC(C)[C@@H](CNCc1cccc(C#N)c1)N1CCCCCC1 236697784 DIGLRGFZFCIUPF-LJQANCHMSA-N 299.462 3.548 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1OC 518864390 YWFSFSPIQMNNFT-UONOGXRCSA-N 286.375 3.722 30 20 CHED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(C#N)cc1 335871758 PNEANISOLLLRIT-ORAYPTAESA-N 287.366 3.768 30 20 CHED C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(CC#N)cc2)C1 335703641 DAESCGDCYJPPEY-CQSZACIVSA-N 290.366 3.592 30 20 CHED Cc1cncc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 335754511 XWELXWZNFMQEHX-IBGZPJMESA-N 291.398 3.819 30 20 CHED N#Cc1c(Cl)nsc1Sc1ccc(O)cc1 92612710 JPIOFDHOOSIWIG-UHFFFAOYSA-N 268.750 3.525 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(C)s1 424639180 LCXVIEJGOYEHHL-UHFFFAOYSA-N 251.395 3.617 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C[C@H]1C 514975376 ZARMHBCMJPOCCH-RHSMWYFYSA-N 284.403 3.589 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cccc(CC#N)c2)C1 334738826 AHEMMNGXMFZGCC-CJNGLKHVSA-N 285.391 3.795 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cc2cc(F)ccc2s1 334212564 RRMXUFIZKUNFDI-UHFFFAOYSA-N 290.363 3.662 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1cccc(C)c1 519116078 ASKQYBQXUHBFTF-AWEZNQCLSA-N 275.417 3.676 30 20 CHED CCCN(Cc1ccc(F)cc1)Cc1ccc(C#N)cn1 515666204 NUFLSSZBCSBHDK-UHFFFAOYSA-N 283.350 3.505 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC1(c3ccc(F)cc3)CC1)CC2 519618574 VQCJVBMBSXSTIX-GOSISDBHSA-N 292.357 3.964 30 20 CHED C=C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 337956624 VMPCSSXTNXCJJY-UHFFFAOYSA-N 268.719 3.663 30 20 CHED CC(C)CNCc1cccc(OCc2ccccc2C#N)c1 236579402 MOEUITUBAVIIBA-UHFFFAOYSA-N 294.398 3.883 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)[C@H]1CCCc2sccc21 336407348 OJGZFDHCTFZUCT-LRDDRELGSA-N 290.432 3.613 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)C1CCCCC1 232525908 RQKBHHOTEKSOJT-QGZVFWFLSA-N 255.427 3.788 30 20 CHED C#CCCCCN[C@H](C)c1ccc(OC(F)F)c(OC)c1 90398626 MAGOHCSWOKRKSQ-GFCCVEGCSA-N 297.345 3.751 30 20 CHED CCOc1ccc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)cc1F 331293650 QVYYLZNOIVWLGA-WDEREUQCSA-N 280.343 3.739 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)CCC=C2 332723465 SHTDEPMFCNTHCJ-SFHVURJKSA-N 282.387 3.704 30 20 CHED Cc1ccnc(N2CCC[C@@H](c3ccccc3)C2)c1C#N 431488619 QKOVSWFBNNNCCQ-MRXNPFEDSA-N 277.371 3.646 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(SCC#N)c1 430696718 BZMPUKPGJVXNGS-TZMCWYRMSA-N 288.416 3.563 30 20 CHED CC(C)c1ccsc1/C(O)=N/C1CCC(C(=O)O)CC1 330565858 GFNHNPLBELZVEJ-UHFFFAOYSA-N 295.404 3.820 30 20 CHED Cc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1F 237701483 UGPNBEKAAMDMOP-AWEZNQCLSA-N 298.361 3.715 30 20 CHED CC1(CC(=O)N2CCc3ccc(C#N)cc32)CCCCC1 339821100 CISWEUFONMKKGK-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CC(c2cccc(F)c2)C1 436283516 LPKVTZRLGMSADO-HRSCSKTISA-N 289.394 3.643 30 20 CHED N#Cc1cccc(C2(NCc3csc(C4CC4)n3)CC2)c1 341217072 XIRVCKJCHMSKQO-UHFFFAOYSA-N 295.411 3.671 30 20 CHED C=CC[C@H](C)NCc1ccccc1OCc1ccncc1 344383099 NRAGSYURJCEQEO-HNNXBMFYSA-N 282.387 3.715 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 529475441 XWXWPEYFAGAKFW-RDBSUJKOSA-N 264.413 3.647 30 20 CHED C=C(C)CCNC(=O)c1cc2cscc2s1 529453236 ZZVPFHLWLJLWNS-UHFFFAOYSA-N 251.376 3.659 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1CCc2ccccc2N1 524687721 NCVYVBQXUIUKHT-OAHLLOKOSA-N 281.334 3.536 30 20 CHED COc1cccc2c(N(C)CC(C)(C)C#N)cc(C)nc12 432151494 RKLYSFLTKSIGIN-UHFFFAOYSA-N 283.375 3.538 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 341259691 NEYVOFPTPOURSG-CHWSQXEVSA-N 269.454 3.721 30 20 CHED C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCCCC#N 247515044 KBVZJSRFDAMIQW-BFYDXBDKSA-N 272.392 3.531 30 20 CHED Cc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1F 602485589 VWAQDWVWWZTQCI-ZDUSSCGKSA-N 276.355 3.645 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cc(F)c(F)cc1F 255427798 YPMVIZMEIXRELO-IHWYPQMZSA-N 266.218 3.901 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\Cc1cccnc1 255276310 LTINITLVJSPLAZ-IUXPMGMMSA-N 281.142 3.713 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@H](c1ccccc1C)C(C)(C)C 431853296 GLCJDORRORKEOS-AEFFLSMTSA-N 289.419 3.526 30 20 CHED CC(C)(CCC#N)CNC(=O)Cc1ccc2c(c1)CCCC2 345905772 LSJDXDPLOQWXDW-UHFFFAOYSA-N 298.430 3.554 30 20 CHED C=CCOCCCN1CCC[C@H]1c1cccc(F)c1 347958908 DCBSTLDOEXBDGE-INIZCTEOSA-N 263.356 3.555 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(Cl)o2)no1 528172893 CXFQSOLHZMVUIT-UHFFFAOYSA-N 265.700 3.564 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCCC[C@H]2CC)CC1 600856463 ROVLPEXUZLOBTB-HUUCEWRRSA-N 264.413 3.563 30 20 CHED O=C1/C(=C\c2ccccc2F)Cc2cc(F)ccc21 255912169 KBVPDJRKPRBHCQ-GHXNOFRVSA-N 256.251 3.787 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1cccc(C)c1 521386772 XXAJQVZHMFLOGK-AWEZNQCLSA-N 277.433 3.900 30 20 CHED C=C(C)[C@H](N[C@H]1CSC[C@H]1C)c1ccc(F)c(F)c1 449252190 UGDBCTFQQHFVLJ-ONERCXAPSA-N 283.387 3.923 30 20 CHED N#CCc1cccc(N[C@H]2CCc3cccnc3CC2)c1 601126388 QQSILLUBYVQXRV-INIZCTEOSA-N 277.371 3.507 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C\SCc1ccco1 255207967 LFUUTJKPWKXELM-VURMDHGXSA-N 298.367 3.845 30 20 CHED N#C[C@@H]1CC[C@H](NC2(c3ccc(F)cc3F)CCC2)C1 442875869 UMONANTVRXJEQR-YPMHNXCESA-N 276.330 3.626 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 523967339 KWFPCUQTVSAFRH-UONOGXRCSA-N 289.419 3.832 30 20 CHED C=CCOCCSc1ccc(Cl)cc1C#N 601910937 CWHCLOMBYVNEAA-UHFFFAOYSA-N 253.754 3.506 30 20 CHED Cc1ccc(OCCCCNc2cccnc2C#N)cc1 357319063 UQXBWOADBJWTLR-UHFFFAOYSA-N 281.359 3.533 30 20 CHED Cc1sc2ncnc(S[C@H](C#N)C3CC3)c2c1C 601068932 JNGBEWJURPECKZ-SNVBAGLBSA-N 275.402 3.702 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2SCCc3ccccc32)C1 447581708 VNTPOCOIZTUNCY-KMFMINBZSA-N 286.444 3.689 30 20 CHED CCC(C)(C)CNC(=O)C[C@@H](CC#N)c1ccccc1 357135251 YCLPYXWXCGTTQX-OAHLLOKOSA-N 272.392 3.626 30 20 CHED Cc1ccc(C(C)(C)CNC[C@H](C)CCC#N)cc1 602534675 IVBCJXWHMSAGET-OAHLLOKOSA-N 258.409 3.802 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCC1(c2ccccc2)CC1 538285306 BIQWDSBZRAFOTR-OAHLLOKOSA-N 286.419 3.762 30 20 CHED C[C@]1(C#N)CCCN(Cc2ncc(-c3ccccc3F)o2)C1 612166861 SEYZVDSTGVQJAJ-QGZVFWFLSA-N 299.349 3.606 30 20 CHED CC(C)c1ccc(CCNc2cnccc2C#N)cc1 537687321 JOITVHGLVYDMTG-UHFFFAOYSA-N 265.360 3.731 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1CCCCC)OCC 535189695 GRAPHLKXIUOWOO-JKSUJKDBSA-N 281.440 3.929 30 20 CHED C=C(CC)CNC1CCN([C@@H]2CCC[C@@H](C)C2)CC1 449735473 QXTZIGKHCMWKCK-NVXWUHKLSA-N 264.457 3.585 30 20 CHED Cc1cccc2c(=NC[C@H]3CC=CCC3)c(C#N)c[nH]c12 610274328 RTHBDIVIJGHMQJ-AWEZNQCLSA-N 277.371 3.605 30 20 CHED C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@](F)(C#N)C1 615641454 SMTWGRSQPUZZCW-ZANVPECISA-N 287.165 3.992 30 20 CHED C=CC[C@@H]1N(Cc2cn3ccsc3n2)CCCC1(C)C 444781946 BQAZDWPRUATNFE-AWEZNQCLSA-N 289.448 3.963 30 20 CHED C=CCC[C@@H](NCC1(C(F)F)CC1)c1ccco1 353604088 IEZGHUIXKTUOHG-LLVKDONJSA-N 255.308 3.922 30 20 CHED Cc1cc2cc(CNCC(C)(C)C#N)oc2cc1C 612585869 VAMUKYHJILQWDM-UHFFFAOYSA-N 256.349 3.689 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc(C(=O)N(C)C)c1 449077337 VOVNULZSRGXMHZ-OAHLLOKOSA-N 288.435 3.613 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[C@@H](C)C1 538286635 GQQPUHHZDGEVOB-RDBSUJKOSA-N 252.402 3.609 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)nc1 533186000 DJSKOFNRSOAFRB-MRXNPFEDSA-N 297.402 3.528 30 20 CHED Cc1ccccc1[C@@H]1CCCN1c1ccc(C#N)nc1 267337239 CRTCEXLIVRTEAI-KRWDZBQOSA-N 263.344 3.603 30 20 CHED C=CCNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 531537470 GJGVYKFJKFALGQ-UHFFFAOYSA-N 270.288 3.985 30 20 CHED C=CC(C)(C)C(=O)Nc1nc(Cc2ccccc2)cs1 450548867 JFDANGOXEGVNGV-UHFFFAOYSA-N 286.400 3.885 30 20 CHED C[C@H](NCC(C)(C)C#N)[C@H](C)c1ccc(Cl)cc1 619428868 IVXGXAVTVOSJCC-RYUDHWBXSA-N 264.800 3.971 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C 267792559 XUKYAZLKYLDDRE-STQMWFEESA-N 285.391 3.607 30 20 CHED C=C(CC)CNC(=O)c1ccccc1-c1nc(C(C)C)no1 456826410 ISARWIMOBFGTJO-UHFFFAOYSA-N 299.374 3.556 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2ccc(OC(F)F)cc2)C1 618562189 FNBIGHZWVRZXLK-ZIAGYGMSSA-N 294.345 3.502 30 20 CHED C=CCC1(CNC(=O)C[C@@H]2CCC[C@@H](OC)C2)CCCC1 456505001 LBWLCUPXQDQKFK-HZPDHXFCSA-N 293.451 3.834 30 20 CHED CC(C)c1ccc([C@H](C)N2CC[C@@](F)(C#N)C2)cc1 615646157 RNPGPIWGEIHGLP-XJKSGUPXSA-N 260.356 3.809 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1ccncc1CC 537181386 VZAODCYRGRRLOH-UONOGXRCSA-N 289.423 3.749 30 20 CHED N#Cc1ccc(-c2ccc(OCC(F)F)cc2)cc1 611525772 IMNQXBQVHCZFMY-UHFFFAOYSA-N 259.255 3.869 30 20 CHED CC(C)OCc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 613255053 AKRTXOHSYPNYPU-MAUKXSAKSA-N 286.419 3.784 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 454517301 FRQVNMJIPNHSMM-MEBBXXQBSA-N 294.345 3.606 30 20 CHED CCCCOc1ccc(C(=O)N(CC)CC#N)c(Cl)c1 274433518 NBJODVJKHZKTSX-UHFFFAOYSA-N 294.782 3.505 30 20 CHED CCC1(NC(=O)Nc2cccc(C#N)c2C)CCCC1 455003657 PWQPOMYYOKIZDA-UHFFFAOYSA-N 271.364 3.711 30 20 CHED C=CCCNC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 617618049 ACQNYUVQFZYZTF-ZDUSSCGKSA-N 299.336 3.966 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1cccc(CC#N)c1 456744644 HBLNPXGBZOQRAN-GXTWGEPZSA-N 256.349 3.517 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 362678786 GNKNFQIFLGXPKW-VXGBXAGGSA-N 289.404 3.777 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1OCC 453352027 KORUPTFSLYECIE-GXTWGEPZSA-N 297.826 3.716 30 20 CHED C=CCN(C(=O)Nc1ccc(F)cc1OC(C)C)C1CC1 272267795 BJWHUNMFNKAORM-UHFFFAOYSA-N 292.354 3.795 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1CC)OCC 270066493 WECOZAGUDLZWBP-OAHLLOKOSA-N 261.365 3.559 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1Cl 278286068 GLQKEZDAVWUIFA-SECBINFHSA-N 282.746 3.596 30 20 CHED N#CCc1cccc(-c2nc(-c3cccc(F)c3)no2)c1 544904040 LJLFZSCABRSFMO-UHFFFAOYSA-N 279.274 3.609 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 363332379 XMPPAUPCAGENBL-DLBZAZTESA-N 282.387 3.641 30 20 CHED CC1(c2ccccc2)CCC(Nc2nccnc2C#N)CC1 362994475 XBWKRRFSYXVRBE-UHFFFAOYSA-N 292.386 3.661 30 20 CHED C=C(C)CCNC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 455312835 PSNLPPPLWZPLEM-MRXNPFEDSA-N 290.407 3.658 30 20 CHED CC#CCCCC(=O)N[C@@H](CC)CCc1ccccc1 628608032 BTROWYKPXKRQLZ-KRWDZBQOSA-N 271.404 3.708 30 20 CHED CCCc1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccn1 361281220 MXLLNEKKYVONLF-UHFFFAOYSA-N 299.399 3.836 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(F)c(Cl)c1 274374600 XFWDSKKTUZMEGW-AWEZNQCLSA-N 282.746 3.537 30 20 CHED C[C@@H](c1ccc(C(=O)NCC(C)(C)C#N)cc1)C(F)(F)F 456010525 RAFGDHCXMRWRJU-JTQLQIEISA-N 298.308 3.632 30 20 CHED C=CC[C@H](CC)NC(=O)C1CC(c2cccc(F)c2)C1 366988221 HKRXRQQSEZERNZ-XUJLQICISA-N 275.367 3.790 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(OC(F)F)c1 620864807 OYEUDMODDNHKTB-UHFFFAOYSA-N 283.318 3.763 30 20 CHED CC#CCCCC(=O)N[C@H](CC)CCc1ccccc1 628608033 BTROWYKPXKRQLZ-QGZVFWFLSA-N 271.404 3.708 30 20 CHED C=CCC[C@@H](NC(=O)NC1CC(F)(F)C1)c1ccccc1 277590235 HODCXIPQJSFQAP-CQSZACIVSA-N 294.345 3.791 30 20 CHED C=CCC1(c2nc(C3(OC)CCC3)no2)CCCCC1 453148072 QRPMSZIAYLCGPL-UHFFFAOYSA-N 276.380 3.873 30 20 CHED CC[C@H](N[C@H](C)c1nnc(C)s1)c1ccc(C#N)cc1 278902188 ZJZQOIPZFYPKAX-YGRLFVJLSA-N 286.404 3.520 30 20 CHED C=C(C)CN(C)C(=O)CCc1ccc2ccccc2c1O 450464834 CJIKFSMYGNCSIZ-UHFFFAOYSA-N 283.371 3.513 30 20 CHED CC1(C#N)CCN(C(=O)Nc2cccc3c2CCCC3)CC1 272472093 DVPBDOIWZIWJRE-UHFFFAOYSA-N 297.402 3.723 30 20 CHED C=C1CCN(C(=O)CCCCC(=O)c2ccc(C)cc2)CC1 546791241 ORJKRAMYPZDBDH-UHFFFAOYSA-N 299.414 3.917 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@@](C)(CC)C1 548913216 RMPBSLDPOABPIJ-QGZVFWFLSA-N 288.439 3.748 30 20 CHED C[C@H](C(=O)N[C@H](C)c1cccs1)c1cccc(C#N)c1 461767836 BXNPHNGRGBLKJE-NWDGAFQWSA-N 284.384 3.601 30 20 CHED C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC(C)(C)C#N)C1 543757428 FDTXCZSEALQFJW-HUUCEWRRSA-N 294.439 3.560 30 20 CHED C[C@H](N[C@@H](C)c1ccccn1)c1ccc(C#N)c(F)c1 271969620 WLSZNIZAFKXKID-RYUDHWBXSA-N 269.323 3.504 30 20 CHED N#Cc1cccnc1N1CCCC[C@@H]1c1ccccc1 273888026 SKPOXYWMXMIPRE-MRXNPFEDSA-N 263.344 3.685 30 20 CHED COCCOc1ccc(C#N)cc1N[C@@H](C)CCC1CC1 469804690 QWQUWFKTSZQIIK-ZDUSSCGKSA-N 288.391 3.574 30 20 CHED C=CC[C@@H](CC)NC(=O)c1sccc1C(C)C 466534707 SEXNETIYKMGBIK-LLVKDONJSA-N 251.395 3.956 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)CC)cc1)OCC 628692461 OYCBTHRLHBOFOC-MRXNPFEDSA-N 289.375 3.589 30 20 CHED Cc1cccc(CCCN[C@@H](C)c2cccc(C#N)c2)n1 285178003 RDYNHJGFJYYBCZ-HNNXBMFYSA-N 279.387 3.545 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(C)CCC[C@H]1C 460050369 AWGMQUVAVGIICC-DNVCBOLYSA-N 296.414 3.899 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C(C)=O)cc2F)n1 556362880 SASYSQNOOLQSNT-UHFFFAOYSA-N 288.322 3.932 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CCc2ccccc21 281532436 YPYHDYUOGIHBCI-GDBMZVCRSA-N 272.392 3.670 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 461770509 WJNLUGFXKZUUBI-CABCVRRESA-N 286.419 3.993 30 20 CHED CC(C)CCc1ccc(NC(=O)c2cnccc2C#N)cc1 553602783 PCXBPLQESRDEIP-UHFFFAOYSA-N 293.370 3.794 30 20 CHED C=CCCCC(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O 372743571 DIYUXCVKYCSXBH-CVEARBPZSA-N 291.435 3.873 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(OC)cc1OCCCC 469933561 DPAWPLSXYMTRJP-CYBMUJFWSA-N 291.391 3.569 30 20 CHED N#CCC1(CN[C@@H]2CCC[C@@H]2c2ccccc2)CC1 370667445 MLZPAAOEXCNOOO-HZPDHXFCSA-N 254.377 3.606 30 20 CHED C[C@@H](C(=O)N(C)[C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 462343521 WQDWAAAEQVRLKQ-CZUORRHYSA-N 284.403 3.699 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1sccc1C#N 280569781 RVIULJJVOVANQB-ZYHUDNBSSA-N 262.378 3.775 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Nc2ccccc2)nc1 469620255 JVXUWISLRCCRES-UHFFFAOYSA-N 294.358 3.704 30 20 CHED C=CCN(CC=C)C(=O)NCCc1ccc(Cl)c(C)c1 464486420 LKVIQGYYFGUFCD-UHFFFAOYSA-N 292.810 3.575 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1ccc(C#N)cc1F 1126825704 OUSHQXKWKIVAMG-CYBMUJFWSA-N 276.355 3.786 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)c(C)c2ncccc12 289305928 VXDWGKVPOVTGNF-KRWDZBQOSA-N 281.359 3.730 30 20 CHED COc1nc2ccccc2cc1/C=C/c1ccncc1C#N 552000984 DEBFXVCIVZBDQE-VOTSOKGWSA-N 287.322 3.680 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(C)CC1CCC1 558981016 RJWRBXRLRNVPNA-UHFFFAOYSA-N 288.439 3.748 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@H]1C1CC1 289412511 AKNBXFCJLQDESZ-OAHLLOKOSA-N 283.375 3.519 30 20 CHED C=CCC[C@H](CC)NC[C@](C)(Cc1ccccc1)[C@@H](C)O 477849475 IKJNXDCXIMORIU-NEWSRXKRSA-N 289.463 3.951 30 20 CHED CCOc1ccccc1COC(=O)CCCCCC#N 805695840 LCBITMFPMCLJKA-UHFFFAOYSA-N 275.348 3.603 30 20 CHED CSc1ccc([C@H](C)NCC(C)(C)C#N)cc1F 809639279 JEBSAHZEBCZDIH-JTQLQIEISA-N 266.385 3.748 30 20 CHED C=C(CNC(=S)Nc1ccc(OC)cc1)c1ccccc1 806593744 KPCWUOKEWBYQOG-UHFFFAOYSA-N 298.411 3.695 30 20 CHED CC(C)[C@@H](C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 470190482 MWKIOJMRCQWYTJ-TUBUQKNSSA-N 278.440 3.893 30 20 CHED C=CCCCCNC(=O)C[C@@H](C)c1cccc(F)c1 471708351 CMUSUGUOAKEJMT-CYBMUJFWSA-N 263.356 3.792 30 20 CHED C=CCC[C@@H](C)Nc1cnn(Cc2ccc(OC)cc2)c1 551811011 AWSXMHMXMCXUMI-CQSZACIVSA-N 285.391 3.707 30 20 CHED CS[C@@H](CNc1nc(Cl)c(C#N)s1)C(C)(C)C 804610970 BFAYJIKLCHFTRB-QMMMGPOBSA-N 289.857 3.858 30 20 CHED C=C(C)COc1cccc(NC(=O)NC(C)(C)CF)c1 473678532 RMOWZCQYPWUZRX-UHFFFAOYSA-N 280.343 3.511 30 20 CHED N#CCCCC(=O)Nc1cccc(COCc2ccco2)c1 292696263 RURZSIVVIUOCID-UHFFFAOYSA-N 298.342 3.629 30 20 CHED N#Cc1ccc(CN(Cc2ccc(O)cc2)CC2CC2)cc1 299590897 WGERCYRTXNHJLT-UHFFFAOYSA-N 292.382 3.676 30 20 CHED C=CCC[C@H](O)CN[C@H]1CCC[C@@H]1CCC(C)C 472604009 FKGZTELGNSXKJQ-PMPSAXMXSA-N 253.430 3.508 30 20 CHED C#Cc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1 809583274 JXQOTRKKPPKJLD-IRXDYDNUSA-N 271.429 3.528 30 20 CHED C=C[C@H]1CCCCN1C(=O)C1CC(c2ccc(F)cc2)C1 646088410 YMMSPODMKYWATI-DQPZFDDXSA-N 287.378 3.886 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC 560709871 DEHZZRKPKAHBIW-KGLIPLIRSA-N 285.391 3.755 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc(C#N)c(F)c1 560470127 OAYKPIWKKAQJEQ-JSGCOSHPSA-N 288.366 3.530 30 20 CHED C=CCCCCNC1CCN([C@H]2CCC[C@H](C)C2)CC1 471610788 NVBBXDIKSFUDLD-WMZOPIPTSA-N 278.484 3.975 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(SC(F)F)cc1 299452307 SFWKYHZOBWQJLZ-SNVBAGLBSA-N 270.348 3.593 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)N1CCC(CCC#N)CC1 563044480 QBDDZCMHEVGNHR-HZPDHXFCSA-N 291.439 3.538 30 20 CHED C=CCC1(C(=O)NC[C@@H]2Cc3ccccc32)CCCC1 648877360 WJZLJIBVOAOMEU-HNNXBMFYSA-N 269.388 3.579 30 20 CHED C=CCC[C@@H](NCc1ccnc(C(F)(F)F)c1)C1CC1 296397850 KJYRHGVRXSURIJ-CYBMUJFWSA-N 284.325 3.935 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(OCC#N)c1 294533998 PWYBOIBRVVGTKE-BBRMVZONSA-N 286.375 3.744 30 20 CHED N#Cc1ccccc1-c1ccc(Cn2cnc(Cl)n2)cc1 806576951 NJYDSVXQXWPQLU-UHFFFAOYSA-N 294.745 3.518 30 20 CHED C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](C)C1 564103812 OIJYQTSYFNRUSX-AWEZNQCLSA-N 296.418 3.676 30 20 CHED Cc1cc(F)ccc1-c1ccc(CNCC2(C#N)CC2)o1 565811579 YMGWQRXBCQXYTF-UHFFFAOYSA-N 284.334 3.788 30 20 CHED CSc1cccc(COC(=O)CCCCCC#N)c1 805939018 HMGZGNXMZKTRJG-UHFFFAOYSA-N 277.389 3.926 30 20 CHED CC[C@@H](NC(=O)CCCC#N)c1ccc(Cl)s1 291626035 FZDKYOUJHHCUDR-SECBINFHSA-N 270.785 3.663 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(CCC#N)CCC(C)C 475669644 VJOSTVZXIWVRBR-JKSUJKDBSA-N 278.440 3.991 30 20 CHED CC[C@@H]1CCC1=NNc1ccc([N+](=O)[O-])cc1Cl 807969229 NVPOFUVZPIMDSL-MRVPVSSYSA-N 267.716 3.836 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(N3CCCC3)cn2)no1 291962500 SBENEKFUXUDDHS-UHFFFAOYSA-N 298.390 3.586 30 20 CHED CCOc1ccc(/C=N/CC(C)(C)CCC#N)c(O)c1 806552118 PPEAHVJSFXUFHJ-WOJGMQOQSA-N 274.364 3.540 30 20 CHED Cc1cc(/C=C/C(=O)c2coc(C(C)C)n2)ccc1C#N 806557608 FQUSZQZTXUDKKZ-FNORWQNLSA-N 280.327 3.874 30 20 CHED C=CCC(F)(F)C(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 816774832 DUKPHENABBKWNK-VNHYZAJKSA-N 293.357 3.991 30 20 CHED CCC(CC)NN=Cc1ncc(-c2ccccc2)s1 811643922 OVZTVICZEMQYRP-UHFFFAOYSA-N 273.405 3.922 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)nc1 810711755 ORLZRRQCMBMNEI-INIZCTEOSA-N 286.375 3.834 30 20 CHED C=CCC1(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)CCC1 649357648 ROIWSPOTEFYPKN-UHFFFAOYSA-N 293.750 3.723 30 20 CHED C#CCN(CC)C/C(C)=C\c1ccccc1OC(F)F 811457371 BABHQBJJSZODMR-QBFSEMIESA-N 279.330 3.646 30 20 CHED C#C[C@H](NCc1cccc(F)c1)c1ccc(Cl)cc1 811516798 VIXDKNZDAPGGSL-INIZCTEOSA-N 273.738 3.943 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccc(Cl)nc1 814859419 UBQATTNFOKAZLH-NSHDSACASA-N 276.771 3.853 30 20 CHED C=CCCCS(=O)(=O)N[C@H](CC(C)C)c1ccccc1 489035280 CRZAVBWDRUNXSC-MRXNPFEDSA-N 295.448 3.659 30 20 CHED COc1ccc([C@H](C)CN2CCCC(C)(C)[C@H]2C#N)cc1 570273596 KKDUXUYKJSLNMW-RHSMWYFYSA-N 286.419 3.813 30 20 CHED C[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(F)cc1 578809303 GYFOSLWZKPLEEQ-LLVKDONJSA-N 299.305 3.821 30 20 CHED CON(Cc1ccccc1Cl)Cc1ccccc1C#N 810138461 FONBSIJCKJCEIJ-UHFFFAOYSA-N 286.762 3.775 30 20 CHED C=CC[C@@H](NC(=O)N(CC)CC(C)(C)C)c1ccncc1 813071368 AMKCDVPZWAZNPN-OAHLLOKOSA-N 289.423 3.776 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(C)[nH]c2ccccc12 489862667 WCOJOXHUYIQTKM-UHFFFAOYSA-N 270.376 3.808 30 20 CHED C[C@@H]1CCC(=NN[C@H](C)CCc2ccc3c(c2)OCO3)C1 814923973 DHHCFZFFKBIOTB-CHWSQXEVSA-N 288.391 3.502 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cn2ccccc2n1 482764045 STWUPSQHEMBCEI-UHFFFAOYSA-N 297.402 3.543 30 20 CHED Cc1ccc(N(C)[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)cc1 815090265 IEYMGGMKVHBOPY-YTQUADARSA-N 297.446 3.588 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)/C=C\c1ccccc1C#N 819180511 BZEWTRIOBJUFAK-YDZSZYSISA-N 282.387 3.514 30 20 CHED N#C[C@@H](OC(=O)C1(F)CCCCC1)C1CCCCC1 810712142 ZBZUXQGQFIFOOR-CYBMUJFWSA-N 267.344 3.674 30 20 CHED Cc1cccc(C(C)C)c1NN=C1CC(=O)N2CCCC[C@H]12 812232668 JWGSTFLTFJDQHZ-MRXNPFEDSA-N 299.418 3.671 30 20 CHED C=CCCC1(C(=O)Nc2ncc3c(n2)CCC(C)(C)C3)CC1 484249861 BSOOXUQTBFDWGF-UHFFFAOYSA-N 299.418 3.676 30 20 CHED C=CCCCC[C@@H](C)NCc1cccnc1N1CCCC1 658105146 FMPLOERUWBYGRJ-MRXNPFEDSA-N 287.451 3.906 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)s2)C1 487319076 ILYHHUDICPYPMI-NWDGAFQWSA-N 276.405 3.564 30 20 CHED FC(F)(F)Oc1cccc(C=NOC/C=C\Cl)c1 811672272 VHRBEOMFIYZZLE-JLKWVEIZSA-N 279.645 3.688 30 20 CHED C=CCN(CC=C)[C@@H](CN[C@@H](C)c1ccco1)C(C)C 480757140 KVHBOVGMJNEOMX-HOTGVXAUSA-N 276.424 3.629 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)NCC1(C#N)CC1 578299628 LVGLXTZUVILTMX-AWEZNQCLSA-N 279.428 3.681 30 20 CHED CC#CCCNC(=O)N[C@H](C)c1cc2ccccc2s1 483042553 QCWGIKDJSMCZNW-GFCCVEGCSA-N 286.400 3.675 30 20 CHED C[C@@H](N=c1nc(C2CCCC2)[nH]s1)c1ccc(C#N)cc1 579822285 KAVFJNNVUHUITB-LLVKDONJSA-N 298.415 3.662 30 20 CHED C[C@@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccc(C#N)cc1 578999861 BLAYXUOKZXUAPP-COXVUDFISA-N 297.402 3.593 30 20 CHED CCCCCC[C@H](C)CC(=O)N(C)C[C@@H](C)C#N 727673676 SIOUTVVNEBYVPR-KBPBESRZSA-N 252.402 3.601 30 20 CHED C=CCC[C@H](C)Nc1cc(NC(=O)NCC)ccc1C 494512235 QBSDXFRKGLHNJA-ZDUSSCGKSA-N 275.396 3.903 30 20 CHED N#Cc1csc(CNc2ccc(C(=O)C3CCC3)cc2)n1 574784129 VMXRYYONANUXDB-UHFFFAOYSA-N 297.383 3.610 30 20 CHED C=CCOC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C 727039938 SHLWPKNFODPDDO-UHFFFAOYSA-N 284.359 3.647 30 20 CHED Cc1ccc(CCCSc2ccc(C#N)cn2)cc1 583107548 XIUJGYQRRIJLFL-UHFFFAOYSA-N 268.385 3.987 30 20 CHED C=CCCC(=O)NCC[C@H](c1ccccc1)C(F)(F)F 490952258 FOPOFPRBCGTGEK-CYBMUJFWSA-N 285.309 3.805 30 20 CHED C[C@@H]1CCCC1=NNc1ncc(Cl)cc1Cl 729143124 CASRNPASUWXTQG-SSDOTTSWSA-N 258.152 3.976 30 20 CHED C#CCCCOC(=O)[C@H](OC1CCCC1)c1ccccc1 727039141 NNTVGLWHSSXMHY-QGZVFWFLSA-N 286.371 3.644 30 20 CHED C#Cc1cccc(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)c1 825227420 TVKLJZHPSDRCBH-UYAOXDASSA-N 290.410 3.879 30 20 CHED CCC1CCC(CNC(=O)CCCCCC#N)CC1 588302875 BAEYYYWPFVMOHP-UHFFFAOYSA-N 264.413 3.793 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 729073237 IFSHSMNCRCKTKP-VIFPVBQESA-N 289.158 3.880 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2nc(C3CC3)cs2)C1 664334182 WJKXXKGEDJHBIY-LLVKDONJSA-N 291.420 3.841 30 20 CHED CC(C)CC[C@H](O)CNc1cccc(OCCCC#N)c1 581007379 NQIWOQQESNVHBW-INIZCTEOSA-N 290.407 3.578 30 20 CHED CC(C)(C#N)CC(=O)N1CC(C)(C)c2c(Cl)cccc21 490991029 WFOSUWPPOXBUCF-UHFFFAOYSA-N 290.794 3.904 30 20 CHED C=C(C)CN(CC)C(=S)Nc1cccc(CC)c1 730592538 MSUDLDUEOHIXMI-UHFFFAOYSA-N 262.422 3.844 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 584816322 QRIRGBYOFSDJLO-AAEUAGOBSA-N 261.365 3.622 30 20 CHED C#CCCCCCC(=O)Nc1ccc(CN(C)C)cc1C 909599807 CHNYHECMAYUQDS-UHFFFAOYSA-N 286.419 3.579 30 20 CHED N#CCCCCCC(=O)N1CCCc2cc(F)cc(F)c21 588884973 VDCKVFHTHMWYMP-UHFFFAOYSA-N 292.329 3.718 30 20 CHED CCN(Cc1ccccc1Cl)c1cc(C#N)cc(C)n1 587201773 TVAKYXAPEPIACL-UHFFFAOYSA-N 285.778 3.942 30 20 CHED Cc1cc(C=NN[C@H]2CCc3c(F)cccc32)c(C)o1 835020446 LXIZFXOSVAEZAJ-INIZCTEOSA-N 272.323 3.647 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 497914216 NOQHJKWMLNDHJY-IJEWVQPXSA-N 287.403 3.806 30 20 CHED C#CC(C)(C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 733978759 ARCJPNCQNWOPGF-UHFFFAOYSA-N 294.398 3.578 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NCC1(C#N)CC1)CCCO2 903106368 OPUIUVYWLWJRRY-MRXNPFEDSA-N 284.403 3.917 30 20 CHED Cc1nc(C)c(C=NNc2cccc(Cl)c2)s1 736427573 APVKREKQLNIIGP-UHFFFAOYSA-N 265.769 3.859 30 20 CHED N#CCCCCCC(=O)NCc1ccc2sccc2c1 589466424 TZCYLVFFJKIMMX-UHFFFAOYSA-N 286.400 3.992 30 20 CHED C#Cc1cncc(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)c1 839892413 VKJSJMZPLVUHJG-INIZCTEOSA-N 298.430 3.740 30 20 CHED Cc1ccc(-c2ccc(C=NNc3cccnn3)s2)cc1 735974441 DQLNOPNOTHKVBJ-UHFFFAOYSA-N 294.383 3.960 30 20 CHED CC[C@H](NCCc1ccc(Cl)nc1)c1cccc(C#N)c1 902841695 QSEMXHJKLICIAP-INIZCTEOSA-N 299.805 3.890 30 20 CHED COc1ccc(-c2ccc(C3(C#N)CCC3)cc2)c(CO)c1 906177350 DGKPLKPPLQGTFA-UHFFFAOYSA-N 293.366 3.800 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cn1 730748216 MWZHWNUEHVMRDJ-CABCVRRESA-N 299.418 3.536 30 20 CHED C=CCOc1ccc(C=NOCc2ccccc2)cc1OC 839419789 MBUXSSZPDOLZLB-UHFFFAOYSA-N 297.354 3.811 30 20 CHED C=C(Cl)CNCc1sc(C)cc1Br 835042664 KKQGZDTZCJUPPI-UHFFFAOYSA-N 280.618 3.661 30 20 CHED Cc1cc(COC(=O)[C@@]2(C#N)CC23CCCC3)c(C)s1 837902952 LLYIJBHDPKPLNQ-INIZCTEOSA-N 289.400 3.882 30 20 CHED CCC[C@@H]1CCCCN1C(=O)/C=C\c1ccccc1C#N 588442665 KXGBOGRRYZXWFC-WFTPILKQSA-N 282.387 3.753 30 20 CHED Cc1ccc(F)c(C=NNCc2ccccc2Cl)c1 734980811 WOLLVHPSICDVJW-UHFFFAOYSA-N 276.742 3.911 30 20 CHED C[C@H](CCC1CCCCC1)/N=C/c1ccc(O)c(O)c1O 734303397 NEDBFAFUOIUTKH-MBNTZHJCSA-N 291.391 3.971 30 20 CHED CCC(C)(C)OCC(=O)[C@H](C#N)c1ccc2ccccc2n1 838782747 MVHFKBWKXKVGSG-CQSZACIVSA-N 296.370 3.616 30 20 CHED CC(C)Nc1cc(F)ccc1NC(=O)C#CC(C)(C)C 837430989 KUTZXRAARAOIKV-UHFFFAOYSA-N 276.355 3.634 30 20 CHED Cc1cc(C)c(CON=C2CCCOCC2)c(C)c1 588398491 IGKLWCSHPLHJKG-UHFFFAOYSA-N 261.365 3.685 30 20 CHED C=CCN(CC=C)C(=S)N[C@H](CC)c1cccs1 734367254 CFBUAWWWUHNVHB-GFCCVEGCSA-N 280.462 3.748 30 20 CHED Cc1ccc(CCCNc2ccnc(C#N)c2)c(C)c1 587024684 KRSINXRPAPFRIQ-UHFFFAOYSA-N 265.360 3.615 30 20 CHED COc1cccc(/C(C)=C/C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 839054913 PFPFAELAUCAYFW-IQRUHWCRSA-N 299.370 3.724 30 20 CHED CCCC[C@H]1CCCC1=NN[C@@H](C)C(F)(F)F 835003547 ZFSWJEKYIXTKFW-UWVGGRQHSA-N 250.308 3.873 30 20 CHED C=CCCC[C@H](C)NC(=O)CC1(C#N)CCCCC1 597482350 YZTMPYDFZNPOBQ-AWEZNQCLSA-N 262.397 3.712 30 20 CHED C=C[C@H](C)NC(=O)NC1CCC(c2ccc(F)cc2)CC1 679763889 PBJZKXQRYHMIIR-YGONEPDPSA-N 290.382 3.726 30 20 CHED C=C(CNC(=O)Nc1cccc(OCC)c1)c1ccccc1 672646314 ZOZIEFMCGKNFKR-UHFFFAOYSA-N 296.370 3.920 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C#CC1CC1 837376250 BKXSRBRLBMSLCE-QZTJIDSGSA-N 281.399 3.585 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)c(C#N)c2)o1 743822361 CPRATUOBQJOCKF-SNVBAGLBSA-N 288.734 3.855 30 20 CHED CCCCCC[C@H](C)NN=C1CCCC[C@H]1OC 743450988 WEYXXFNWSAIYQV-DZGCQCFKSA-N 254.418 3.880 30 20 CHED N#Cc1ccc(-c2ccc(C[C@@H](O)C3CC3)cc2)cc1 593951753 IEOROQZVVDGYMA-GOSISDBHSA-N 263.340 3.539 30 20 CHED CCN(CC)C(=S)S[C@@H](C#N)Cc1ccc(C)cc1 917706278 GPSWZIOQTKOBCU-CQSZACIVSA-N 292.473 3.790 30 20 CHED Cc1cccc(C(=O)/C=C2/COc3ccc(F)cc32)c1 918155787 WXLWOZQYAFCCER-JYRVWZFOSA-N 268.287 3.793 30 20 CHED N#CCc1ccc(-c2cccc3c2OCCCO3)s1 596641118 LDXTUDCPCQMBON-UHFFFAOYSA-N 271.341 3.642 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2scnc2C)c1 742435380 WRCMXDDHXNMCRZ-SNAWJCMRSA-N 257.358 3.964 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1cncs1 747635659 LWXXZULOQODEER-UHFFFAOYSA-N 269.732 3.772 30 20 CHED CC(C)COc1ccc(C(=O)OCC2(CC#N)CC2)cc1 744276831 OEQZRFSADPOYIM-UHFFFAOYSA-N 287.359 3.572 30 20 CHED CCOc1ccccc1C=NOCc1ccc(C)cc1 849804081 UFKJHSKOZWXOFR-UHFFFAOYSA-N 269.344 3.944 30 20 CHED C=C(C)CON=C[C@@H](C)Cc1ccc(OC)c(F)c1 844618157 JYEOLWYIEDSAHJ-LBPRGKRZSA-N 265.328 3.591 30 20 CHED C#CC1CCN(C(=O)c2ccc(C3=CCCC3)cc2)CC1 843698540 CEHQGQGWCFDEPA-UHFFFAOYSA-N 279.383 3.739 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(C(F)F)nc1 595051647 QPFJDLJBQHELST-NSHDSACASA-N 281.350 4.000 30 20 CHED CC(C)(O)C(C)(C)C/N=C/c1c(O)ccc2ccccc12 840710232 PHXPEIVBDAWOOM-YBFXNURJSA-N 285.387 3.761 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1c(C2CC2)cnn1C 849244738 JNWZJVLLBKOYSB-BQYQJAHWSA-N 284.334 3.641 30 20 CHED C#CCN(CCOc1ccccc1C(C)=O)C1CCCCC1 744212573 OPWWAMPRHXMEIY-UHFFFAOYSA-N 299.414 3.536 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H]1CC(C)(C)Oc2ccccc21 842376150 KHUCFIWYHNJPEJ-ZFWWWQNUSA-N 286.371 3.676 30 20 CHED CCC(C)(C)N1CCN(CCCCC(C)(C)C#N)CC1 594019900 BUGMZXWXUXIFSY-UHFFFAOYSA-N 279.472 3.513 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)c1cc2ccccc2s1 593459394 VCOOSMJNFQKAAR-WDEREUQCSA-N 272.373 3.628 30 20 CHED Cc1ccc([C@H](C)C(=O)O[C@@H](C)c2ccc(C#N)cc2)o1 748680853 FFCRVVVLWIGXMK-STQMWFEESA-N 283.327 3.868 30 20 CHED O=C(Nc1cccc(C#Cc2cccs2)c1)NC1CCC1 593447528 MWUXSENTWAGJNQ-UHFFFAOYSA-N 296.395 3.822 30 20 CHED O=C(O)c1cccc(NN=C2CC(c3ccccc3F)C2)c1 743417294 GUTFMAXAZJSGBG-UHFFFAOYSA-N 298.317 3.869 30 20 CHED C#CCNC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C 915908129 GFINYWJJLLMAKS-INIZCTEOSA-N 286.419 3.614 30 20 CHED CC(C)N(Cc1ccco1)C(=O)/C=C\c1ccccc1C#N 914485130 WLOFLKKPZDFWNW-KTKRTIGZSA-N 294.354 3.602 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1cccc(C2CC2)c1 593995552 XAOICSXVEUUKBI-QGZVFWFLSA-N 270.376 3.622 30 20 CHED Cc1cc(C)cc(NN=C2[C@H]3CCCO[C@@H]3C2(C)C)c1 743429920 BTMAQNZGVHCICQ-ZBFHGGJFSA-N 272.392 3.906 30 20 CHED C[C@@H](Cc1ccc2c(c1)CCCC2)NCC(C)(C)C#N 597082005 FEPZBBDHZHKSHW-AWEZNQCLSA-N 270.420 3.636 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H](C)c1cccc(Cl)c1 742056791 DOUACYMNJPEIQS-ZDUSSCGKSA-N 292.810 3.842 30 20 CHED CC(=NOCC(C)C)c1ccc(F)cc1OC(F)F 749631376 LONXFNJAGSIMEK-UHFFFAOYSA-N 275.270 3.824 30 20 CHED C=C(Cl)C[S@@](=O)[C@@H](C)c1ccc(Cl)cc1 849222467 BBXKWKJCYCTPII-BJOHPYRUSA-N 263.189 3.902 30 20 CHED Cc1oc2ccccc2c1CN1CCC[C@H](CC#N)C1 597177575 PKNUCSRMJNNNHD-CQSZACIVSA-N 268.360 3.867 30 20 CHED N#CC1(CC(=O)N(CC2CC2)C2CCC2)CCCCC1 597600537 NTQVKQRXZYQIOG-UHFFFAOYSA-N 274.408 3.642 30 20 CHED CC(C)c1ccccc1C=NN[C@@H]1CCOC(C)(C)C1 848409181 OUBFZEWAFDZNDY-OAHLLOKOSA-N 274.408 3.691 30 20 CHED CCSc1ccc([C@H](C)NC(=O)[C@H](C#N)CC)cc1 593454043 UXAJQCBBBSJTPF-RYUDHWBXSA-N 276.405 3.526 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H](c2ccccc2)C1 590076892 RLNPAYDCZKIQMW-KRWDZBQOSA-N 284.403 3.867 30 20 CHED C=CCCCOC(=O)Cc1c[nH]c2ccc(Cl)cc12 740302108 YVYKNTMZMHEODE-UHFFFAOYSA-N 277.751 3.873 30 20 CHED COC(=O)CCC(C)=NNc1cccc(Cl)c1Cl 841645955 ULFBRVFPIBCTQU-UHFFFAOYSA-N 289.162 3.734 30 20 CHED C=CCN(C(=O)c1sccc1OC)c1ccccc1 591941559 IHLAQJYTWQDKCW-UHFFFAOYSA-N 273.357 3.590 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc([N+](=O)[O-])c(O)c1 743450896 SXHAXCCLXXTMDW-GFCCVEGCSA-N 293.367 3.583 30 20 CHED C#CCN(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 741805768 UYIAPIGCJJOWHS-HNNXBMFYSA-N 279.383 3.988 30 20 CHED CC#CCOC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 744946213 LNHVJNJSKPFYMC-QWRGUYRKSA-N 283.154 3.663 30 20 CHED CC[C@@H](COC(=O)/C=C/c1ccccc1C#N)CC(F)F 845761005 JFZYHTXHOGRESZ-ABZNLYFFSA-N 293.313 3.796 30 20 CHED COC[C@H](Nc1ccc(C#N)cc1C)c1ccc(C)o1 846748563 AIYIUKVVCZEVBK-HNNXBMFYSA-N 270.332 3.568 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCCN1CCCC[C@@H]1C 924687096 NSRAGTMURBPIFC-HOTGVXAUSA-N 279.472 3.559 30 20 CHED C=CCCCCCCCNC(=O)Cc1ccncc1C 752981639 DUUKILHVKRGQPT-UHFFFAOYSA-N 274.408 3.575 30 20 CHED C(=NO[C@@H]1CCCCO1)c1cnc(C2CCCC2)s1 755813303 DPQNFSYIPCYYRA-CYBMUJFWSA-N 280.393 3.678 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(-c2ccc(OC)cc2)cc1F 757003391 DCGGYSHONMIFJO-LBPRGKRZSA-N 299.345 3.806 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](CCOC(=O)C(C)(C)C#N)C1 757056272 HXEMPDKIGGADJP-ITGUQSILSA-N 251.370 3.542 30 20 CHED CCC(=CC(=O)Nc1ccc(C#N)c(Cl)c1)CC 759284763 WJGDLQRIIZLXHY-UHFFFAOYSA-N 262.740 3.897 30 20 CHED CC[C@@H](NCc1cccc2c1OCC2)c1cccc(C#N)c1 927089387 BSONIGIIKHRNGO-GOSISDBHSA-N 292.382 3.734 30 20 CHED CC(C)CCCCCC(=O)N1CCC[C@](C)(C#N)C1 753165068 WSSMUHSFPNVQFY-MRXNPFEDSA-N 264.413 3.745 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cccc(Br)n1 926350022 GANSYBXZJMGMIE-MNOVXSKESA-N 283.213 3.849 30 20 CHED C#CC[C@H](/N=C/c1ccc(OCC)cc1O)c1ccccc1 756847430 SGSHENCXHRJPAZ-OFBHVFLISA-N 293.366 3.974 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1c(F)c(F)cc(F)c1F 925503300 JHYRMSQSUKXSGE-MRVPVSSYSA-N 288.288 3.661 30 20 CHED COc1cc(F)cc(NN=Cc2cc(F)cc(F)c2)c1 755769265 MWFDSWWFHPOINC-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C=CC(C)(C)CCOC(=O)c1cnc2onc(CC)c2c1 851299290 FYQWQLLUGXTACI-UHFFFAOYSA-N 288.347 3.544 30 20 CHED c1ccc(C[C@@H]2CCCC2=NO[C@@H]2CCCCO2)cc1 755820931 NOIDINDUDPUFLM-DOTOQJQBSA-N 273.376 3.928 30 20 CHED C[C@@H]1CCCCN1N=CC1CCN(Cc2ccccc2)CC1 853384232 JHOCRSPPWSYQMW-QGZVFWFLSA-N 299.462 3.759 30 20 CHED C#CCCN1Cc2ccccc2[C@@H](c2ccccc2)C1 752857586 WPGSVUYHWYXDKW-LJQANCHMSA-N 261.368 3.657 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccsc1Cl 853122105 NEEZRDYIURUEKK-UHFFFAOYSA-N 271.769 3.888 30 20 CHED C[C@H]1CC(=NOCC(F)F)c2ccsc2S1 758910892 MJJBCBVTDUEGGU-LURJTMIESA-N 263.334 3.618 30 20 CHED C#Cc1cccc(N(C)Cc2ccc(OC)c(C)c2)c1 864011172 UPEOUQRZZFEFPM-UHFFFAOYSA-N 265.356 3.621 30 20 CHED Cc1ccc(OC(F)F)c(CN(CCC#N)CC(C)C)c1 768153218 AWQVUERQIZPLAX-UHFFFAOYSA-N 296.361 3.968 30 20 CHED Cc1cc(OC(=O)CCc2ccccc2C)ccc1C#N 765112178 APQLXDRZNLBJAP-UHFFFAOYSA-N 279.339 3.713 30 20 CHED CC[C@@H](CC#N)OC(=O)/C=C\c1ccc(SC)s1 860693909 ADDSWAULFHDXKL-OAQKJQOQSA-N 281.402 3.719 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)Cc1cccc(F)c1 768518323 BFGPZYAQAWELSV-GFCCVEGCSA-N 284.334 3.749 30 20 CHED C#CCCCSc1nc(C)cc(C(F)(F)F)c1C#N 766286812 ACMJHOJLPWYZMX-UHFFFAOYSA-N 284.306 3.786 30 20 CHED CCn1nc(/C=C/C(=O)c2ccccc2O)c2ccccc21 769746845 RRPLJFFCHXRQSJ-VAWYXSNFSA-N 292.338 3.658 30 20 CHED C[C@H]1CCC(=NNc2ccc(F)c([N+](=O)[O-])c2)[C@@H](C)C1 769821015 BAAGDSVAIASDKT-UWVGGRQHSA-N 279.315 3.958 30 20 CHED N#Cc1ccc(C2=CCN(C/C(Cl)=C/Cl)CC2)cc1 767737357 BUMZYTCFPBGXRG-DHDCSXOGSA-N 293.197 3.966 30 20 CHED N#Cc1cccc(NN=C2CCc3ccccc3C2)c1 767360491 HPITVTOXRCOBJL-UHFFFAOYSA-N 261.328 3.515 30 20 CHED N#C[C@H](NC(=O)c1ccsc1C(F)F)C1CCCCC1 934130601 OJELJPPUKXSQIZ-NSHDSACASA-N 298.358 3.888 30 20 CHED C[C@H](CSc1ccccc1)C(=O)OCC1(C#N)CCC1 768105619 STUDMCSYCVIFAM-CYBMUJFWSA-N 289.400 3.652 30 20 CHED Cc1ccc(F)c(NN=CCCC2CCOCC2)c1 764908752 NSTLZHGQFVKKQP-UHFFFAOYSA-N 264.344 3.739 30 20 CHED Brc1cc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)ccn1 769810910 SIRBOCUBOLXOBR-DCAQKATOSA-N 294.196 3.678 30 20 CHED C#CCCN(Cc1coc2ccccc12)CC(F)(F)F 768534374 OCIYWQRMDMEXFJ-UHFFFAOYSA-N 281.277 3.820 30 20 CHED CC(=NN=C[C@@H](C)c1cccc(Cl)c1)c1cnccn1 763358559 VCZDTRJKYPHSRH-LLVKDONJSA-N 286.766 3.729 30 20 CHED C#CCCCC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 760129774 BQMIKYUYRQGRQY-INIZCTEOSA-N 294.398 3.677 30 20 CHED CC(=NNc1cc(C)ncn1)c1cc2c(s1)CCCC2 764692815 SPLXZSVLDLADCW-UHFFFAOYSA-N 286.404 3.561 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@H](C)C(CC)CC 761743023 QKYFUVKGHUJHKR-GFCCVEGCSA-N 291.366 3.849 30 20 CHED CCC(CC)NN=Cc1cc(F)ccc1Br 761267046 MXRGCTFESKAAJY-UHFFFAOYSA-N 287.176 3.700 30 20 CHED C#CCCCCC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 773425323 QOINBFOOIWAKDZ-GFCCVEGCSA-N 291.341 3.604 30 20 CHED C#CCCCCCC(=O)NCCCc1cccc(Cl)c1 779886925 ZRBYHWYWNBJUTI-UHFFFAOYSA-N 291.822 3.973 30 20 CHED C#CCCCCCCNC[C@@H]1CCOC2(CCC2)C1 877564451 BBXKCGVLTHQRDX-MRXNPFEDSA-N 263.425 3.509 30 20 CHED CCCCCC(=O)N(C)c1ccc(C#N)c(Cl)c1 876166054 JUWBTGORXIBQTB-UHFFFAOYSA-N 264.756 3.755 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc(SC(F)(F)F)o1 870182157 YPANXHSJJKPOCP-MRVPVSSYSA-N 293.266 3.596 30 20 CHED N#Cc1ccc2c(n1)CCCN2C(=O)CC1CCCCCC1 1119480450 SZQXFQNMCJUHAG-UHFFFAOYSA-N 297.402 3.593 30 20 CHED C#C[C@@H](C)NC(=O)c1sc2cc(C)ccc2c1Cl 772974301 CLCKCGAMBUIQCU-SECBINFHSA-N 277.776 3.615 30 20 CHED CC(C)(C#N)CCCOC(=O)C(C)(C)Oc1ccccc1 1116829483 HPKVHUAPEKDWGJ-UHFFFAOYSA-N 289.375 3.717 30 20 CHED C=CCN(C)C(=S)Nc1c(C)cc(C)cc1Cl 777472014 UYIXORXOOMCXNS-UHFFFAOYSA-N 268.813 3.771 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(OC)c1F 770054386 UDDKVMXDWONJKS-UHFFFAOYSA-N 295.354 3.536 30 20 CHED COc1cccc(OC)c1/C=C1/Cc2c(C)cccc2C1=O 776190416 VXVRNJOJYRYVBU-QBFSEMIESA-N 294.350 3.835 30 20 CHED N#C[C@H](OC(=O)c1ccnc(Cl)c1F)C1CCCCC1 776396781 NIWRUXWVQCUWCS-NSHDSACASA-N 296.729 3.503 30 20 CHED C=C(Cl)Cn1cc(-c2cccc(NC(C)C)c2)nn1 881426948 YOPALGBMSANDGA-UHFFFAOYSA-N 276.771 3.518 30 20 CHED C[C@@H]1CCCC[C@@H]1OCC(=O)O[C@@H](C#N)C1CCCCC1 776386729 SPHFLIGODDPXPO-KBMXLJTQSA-N 293.407 3.597 30 20 CHED COc1ccc(C=NOC2CCCCC2)cc1OC(F)F 777459205 MVHCMUHTFXRKLO-UHFFFAOYSA-N 299.317 3.980 30 20 CHED N#Cc1cccc2c1CCN2C(=O)C1C[C@H]2CCC[C@H](C1)C2 1129914510 UMTZJVUXMUOXKP-KBPBESRZSA-N 294.398 3.664 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccnc(C(F)(F)F)c1 1120734346 XQNALTPJFDKJFJ-LBPRGKRZSA-N 298.308 3.671 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc([C@H]2CCOC2)cc1 880129081 CNTSNYFDVIBXFK-AWEZNQCLSA-N 273.376 3.731 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1c(F)cccc1Cl 782303800 ZYVOLIOZTWJAKV-CYBMUJFWSA-N 268.763 3.981 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccc(Cl)cc1C 782438283 FWVSDTNYPUQALF-INIZCTEOSA-N 296.794 3.920 30 20 CHED C/C=C(/CC)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 789369913 YCRWSZHEHWWWCY-QSADENFPSA-N 288.347 3.968 30 20 CHED CCc1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)s1 782201369 TUMQAZAOZYGFFO-HYXAFXHYSA-N 292.381 3.966 30 20 CHED Cc1ccncc1/C=C/C(=O)OCCCCC(C)(C)C#N 786921520 FGZRRNRNUNEXGZ-VOTSOKGWSA-N 286.375 3.667 30 20 CHED C#CCn1ccc(CN(CC)CC[C@@H](C)c2ccccc2)n1 789762250 UKHPTLIBSVKYBV-QGZVFWFLSA-N 295.430 3.532 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)[C@@H]1CCCC[C@@H]1C 781924610 OVISGEVHRXRCMO-MAUKXSAKSA-N 286.419 3.990 30 20 CHED C#CC[C@@H](C)OC(=O)c1cc(-c2ccccc2Cl)on1 1122712178 IVLOUDRHMNDLGE-SNVBAGLBSA-N 289.718 3.564 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2scnc2c1 1120814023 TYQNVJWDRGWRHP-ZDUSSCGKSA-N 286.400 3.867 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 783823505 FTUGTMUNTMIHDH-LBPRGKRZSA-N 273.163 3.960 30 20 CHED C=Cc1ccc(C(=O)OCc2ccc(C#N)cc2F)cc1 785620019 DYZBLFURYWZWIJ-UHFFFAOYSA-N 281.286 3.697 30 20 CHED CC1(C(=O)[C@H](C#N)c2nc3ccccc3o2)CCCCC1 781453712 XLUUYKNQFGMYSX-LBPRGKRZSA-N 282.343 3.974 30 20 CHED COc1ncc(C(=O)/C=C\c2ccccc2C)cc1Cl 789156521 BHBXYJQLBZVMLD-FPLPWBNLSA-N 287.746 3.948 30 20 CHED N#CCN(Cc1ccc(F)c(Cl)c1)C1CCCC1 93563195 KTKYNCOHPVZTHL-UHFFFAOYSA-N 266.747 3.747 30 20 CHED CC1CCN(c2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2)CC1 799717178 JZUZPRLYMLMQIL-ZWKOTPCHSA-N 297.446 3.705 30 20 CHED C=CCCCOC(=O)CCOc1cc(C)ccc1C 735529100 VLQCQQSJTNOAFL-UHFFFAOYSA-N 262.349 3.582 30 20 CHED N#Cc1c(Cl)nsc1NCC1CCC(F)(F)CC1 799982081 STBPFWGKQPQSOI-UHFFFAOYSA-N 291.754 3.906 30 20 CHED CC(=NNc1ncccc1C)c1ccc(O)c(Cl)c1 790187218 TWTQQCUGICVCBG-UHFFFAOYSA-N 275.739 3.585 30 20 CHED CC(C)(C)[C@H]1CCCN(c2nccc(C#N)c2Cl)C1 553559724 POEVHSAMWWRBEF-LBPRGKRZSA-N 277.799 3.869 30 20 CHED C=CCC1(C(=O)OCc2nc3ccccc3nc2C)CCC1 791561447 XLMGNUBFFCKESA-UHFFFAOYSA-N 296.370 3.728 30 20 CHED CCC(CC)NN=Cc1c(F)cccc1Br 794513713 AXMVRWFNGZQDMC-UHFFFAOYSA-N 287.176 3.700 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCC[C@@H](C)C1 189940751 BDUBUMFYGWRDFC-ZIAGYGMSSA-N 264.413 3.744 30 20 CHED O=[N+]([O-])c1ccc(CC=NNc2ccc(F)cc2F)cc1 792869616 LOMSKIRWUSMQRO-UHFFFAOYSA-N 291.257 3.513 30 20 CHED Fc1ccc(/C=C/C=NNCc2ccccc2)cc1F 794878657 RSDSFKFQFJMSAR-FBZYTMSMSA-N 272.298 3.754 30 20 CHED FC(F)c1ccc(C=NNc2ccc(Cl)nn2)cc1 794455537 IBUFTXDDJXJVIH-UHFFFAOYSA-N 282.681 3.514 30 20 CHED C[C@@H](Cc1cccs1)N(C)Cc1cccc(C#N)c1 80846728 FLNFWCURMMQZKI-ZDUSSCGKSA-N 270.401 3.683 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)CCCCCC 798037026 URWYRDYMEDFIFA-OAGGEKHMSA-N 281.440 3.690 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(Oc2ccccc2)o1 791205321 SVBBIAMMRJDZRB-ZDUSSCGKSA-N 283.327 3.604 30 20 CHED CCc1ccc(C(=O)/C=C/c2c(F)ccc(O)c2F)o1 794941143 JEJOJXNAXUZGHB-GQCTYLIASA-N 278.254 3.722 30 20 CHED CSc1cccc(F)c1C(=O)OCCC(C)(C)C#N 798752989 PSOYYEYVKGKLQN-UHFFFAOYSA-N 281.352 3.644 30 20 CHED C=CCCCCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 790901975 RCDYNSOENMDXKT-UHFFFAOYSA-N 295.304 3.529 30 20 CHED C#CCN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CC1 763955035 GYKIOHKZEMLRRE-UHFFFAOYSA-N 286.762 3.593 30 20 CHED CC(C)[C@H]1CCC[C@H]1NCc1ccc(OCC#N)cc1 772961058 YITSIPGLDMLIES-IAGOWNOFSA-N 272.392 3.503 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(Br)s1 90397327 RZVVAEQFTUGUJW-JTQLQIEISA-N 286.238 3.965 30 20 CHED CC(C)[C@H]1CCCN(c2cccc(F)c2C#N)CC1 93406631 JOWGLXDQCVCABM-ZDUSSCGKSA-N 260.356 3.960 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1sccc1C#N 1219354868 UFDBPZNVRUZXQO-WDEREUQCSA-N 277.393 3.566 30 20 CHED CC[C@H](C)[C@@H](C)Nc1ncc(Cl)c(C)c1C#N 1162558247 BMLZLVUEQHPVAK-WCBMZHEXSA-N 251.761 3.762 30 20 CHED CCc1cc(Nc2nnc(CC)c(CC)c2C#N)ccc1F 1163265025 DARYNUCGJFJRLG-UHFFFAOYSA-N 298.365 3.918 30 20 CHED C=CCN(C(=O)/C=C/c1ccccc1C#N)c1ccccc1 1318272126 WIWPEERSPOUYCJ-OUKQBFOZSA-N 288.350 3.791 30 20 CHED Cc1cc(C)cc(-c2nnc(-c3ccc(C#N)cc3)o2)c1 1324098806 DZMOFJCYHBWGHL-UHFFFAOYSA-N 275.311 3.892 30 20 CHED CC1(C)CCCN(CCc2ccc(Cl)cc2)[C@@H]1C#N 1645514436 QCNXYLLZIHTFSA-OAHLLOKOSA-N 276.811 3.897 30 20 CHED N#CCN(C(=O)c1ccc(-c2ccccc2)s1)C1CC1 1324553903 XIVHICCSQCBNRM-UHFFFAOYSA-N 282.368 3.543 30 20 CHED CC1(C)CN(c2cc(C(F)(F)F)cnc2C#N)C1(C)C 1325225451 ARMQXTPYFLEOIT-UHFFFAOYSA-N 283.297 3.597 30 20 CHED Cc1nc(N(C)[C@H](C)Cc2ccc(Cl)cc2)ccc1C#N 1185367758 YZSPSMAOYDEGIF-GFCCVEGCSA-N 299.805 3.983 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCCc1ccc(C)s1 1337715760 JYEQZRJMYFRCMZ-ZDUSSCGKSA-N 278.421 3.530 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2cc3ccccc3[nH]2)no1 1334356677 ZCXVXNFYABIRRS-QGZVFWFLSA-N 297.358 3.698 30 20 CHED C=C(C)CCC(=O)N[C@@H](CCC#N)c1ccccc1 1336404487 FLVYRNDEMZEORJ-HNNXBMFYSA-N 256.349 3.504 30 20 CHED C[C@@H](CC(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1347125651 WXICFVVDTUSVMQ-JSGCOSHPSA-N 282.318 3.591 30 20 CHED CC1(CCC(=O)[C@@H](C#N)c2nc3ccccc3o2)CC1 1342923216 CHASGMYBHKTBCZ-LLVKDONJSA-N 268.316 3.584 30 20 CHED C=C(C)CCC(=O)N1CCc2sccc2[C@@H]1CC 1346700957 OCIHPWWSSIQXBJ-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 1346095033 CWPDCZHUXWJOCL-SNVBAGLBSA-N 271.282 3.849 30 20 CHED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1ccccn1 1262707373 SEYVUJYMYQHUIM-QMMMGPOBSA-N 278.768 3.626 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)c1ccc(C#N)o1 1344586757 CAGMNYPAUNLFRV-UHFFFAOYSA-N 274.707 3.674 30 20 CHED N#CCOc1ccc(N[C@@H]2CCc3ccc(Cl)nc32)cc1 1261782956 ZZECXMWVWRUVQC-CQSZACIVSA-N 299.761 3.737 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(OCC#N)cc1 1341855213 HVECBWHPMSSFAS-SFHVURJKSA-N 278.355 3.997 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1nc2ccccc2n1C(F)F 1348454131 MOBKODWRFMIVRO-QWRGUYRKSA-N 292.333 3.774 30 20 CHED CCSc1cccnc1C(=O)Nc1ccc(CC#N)cc1 1351278608 MPSAZTFOAYPJGV-UHFFFAOYSA-N 297.383 3.512 30 20 CHED N#Cc1ccc(COc2ccc(NC(=O)C3CC3)cc2)s1 1350623073 XTKRJNRRTGNDJM-UHFFFAOYSA-N 298.367 3.547 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1ccccc1Cl 1519212678 UJBUSDVCABNBSD-UHFFFAOYSA-N 290.775 3.940 30 20 CHED C=C(CC)C(=O)N(C)[C@H](C)c1ccccc1Br 1528002418 PFAWDFKEPJZJKD-LLVKDONJSA-N 296.208 3.935 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2cc(C#N)ccc2F)cc1 1526277960 SIKQZSYASCAKAN-CYBMUJFWSA-N 296.345 3.839 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)o1 1528145192 ZDLPNVGEJAKXLN-UHFFFAOYSA-N 298.195 3.561 30 20 CHED C[C@H](OC(=O)[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 1524300884 CUFLKZAUXFOKBG-XEZPLFJOSA-N 271.360 3.989 30 20 CHED Cc1ccc(COC(=O)[C@H](CC#N)c2ccccc2)cc1 1538361048 UPGDMYJKRTUKPO-QGZVFWFLSA-N 279.339 3.736 30 20 CHED C#CCCCCCCSCc1nc(C(=O)O)cs1 1602705182 HSIBFRZSJKEBTL-UHFFFAOYSA-N 283.418 3.658 30 20 CHED Cc1ccc(C(=O)NCC[C@@H]2CCCC[C@H]2C)cc1C#N 1538127831 NZKUJUNPSUGQJR-HIFRSBDPSA-N 284.403 3.813 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(C(=O)O)cs2)cc1 1610498046 ALQDCYVMRQNSTA-VOTSOKGWSA-N 272.325 3.651 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)[C@@]1(C#N)CC12CCCC2 1617140726 YAFJNYMPVZMMLW-IBGZPJMESA-N 294.398 3.612 30 20 CHED Cc1c(C#N)c(SCC2CC(C)C2)nc2c1CCC2 1613366899 KREOBGXJALQXJG-UHFFFAOYSA-N 272.417 3.889 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1cc(F)cc(C#N)c1 1624290660 BXULXWZQRLGHAP-UHFFFAOYSA-N 286.306 3.975 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1c[nH]nc1-c1ccccc1 1621232766 WPQJOVPUOFVFSY-LBPRGKRZSA-N 268.364 3.817 30 20 CHED CC[C@@H](CC#N)NC/C=C/c1cc(C)c(C)cc1C 1658141193 WJBKECZJOYAKEB-LXXRFIIISA-N 256.393 3.907 30 20 CHED Cc1cc(N2CC[C@@H](Cc3ccccc3)[C@H]2C)ncc1C#N 1651603276 VWTOBSSVUUOKCP-WBVHZDCISA-N 291.398 3.719 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@@H]1c1cccc(F)c1 1653512893 SZXMDAYUUFRKSM-IAGOWNOFSA-N 266.319 3.837 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2cc(F)cc(C#N)c2)CS1 1665454482 UVCDGYHKNHXKFG-KGLIPLIRSA-N 264.369 3.639 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C#N)s1 123694438 MVOCMCCMWODZSA-UHFFFAOYSA-N 268.385 3.808 30 20 CHED C=C(C)CCCN1CCC(c2ccc(C(=O)O)cc2)CC1 1776138760 NNKRXRZGORLBGO-UHFFFAOYSA-N 287.403 3.921 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(/C=C\C(=O)O)cc1 1777476699 WDMWXCJEOCEFML-VRHVFUOLSA-N 282.295 3.582 30 20 CHED O=C(O)c1cc(NN=C2CC[C@H]2c2ccccc2)ccc1F 1776062653 DIOLUUROHPYXID-ZDUSSCGKSA-N 298.317 3.869 30 20 CHED CC[C@H](NN=C1CCC[C@H](c2ccccc2)CC1)C(=O)O 1776066268 BMIFCUOBNGLKDO-HOCLYGCPSA-N 288.391 3.543 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 14179283 MOUFYOCGTKIVES-QPJJXVBHSA-N 269.250 3.733 30 20 CHED N#CCCCCSCCCOc1cccc(C#N)c1 161972352 NBZBXRZAPISXFZ-UHFFFAOYSA-N 274.389 3.754 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn(C(CC)CC)c1C 158200515 CPOVGYLZOSCNLT-UHFFFAOYSA-N 277.412 3.591 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccn(-c3ccccc3)n2)c1 160821107 DYURLNXVFACTJC-MDZDMXLPSA-N 299.333 3.640 30 20 CHED C=CCCSCC(=O)N[C@H](C)c1ccc(CC)cc1 151995235 ZAMOGBWCMDTPJN-CYBMUJFWSA-N 277.433 3.736 30 20 CHED COc1ccc(C#N)cc1CSc1cccc(C#N)c1 152897359 HQIYXHAGMHORFG-UHFFFAOYSA-N 280.352 3.731 30 20 CHED Cc1ccsc1C(=O)N[C@@H](CCC#N)c1ccccc1 153124282 DKJVJDOVHOQZGU-AWEZNQCLSA-N 284.384 3.831 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N2CCC(C#N)CC2)c2ccccc21 153157608 NRNUQHBPAXLJHY-DYVFJYSZSA-N 297.402 3.570 30 20 CHED C=C(C)CNC(=O)Nc1cccc(Oc2ccccn2)c1 157519334 RQKYNKZZNVUNDJ-UHFFFAOYSA-N 283.331 3.572 30 20 CHED C[C@H]1C[C@@H](N(C)CCCCC#N)CCN1Cc1ccccc1 157071193 QQFKYVGGBQEODY-HKUYNNGSSA-N 299.462 3.665 30 20 CHED CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2n1C 155438728 IVANISLRQFGQDR-QWHCGFSZSA-N 283.375 3.576 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@@H](C)C1 159332359 LCDSYERJEBFRIL-NEPJUHHUSA-N 290.794 3.720 30 20 CHED C[C@@H](CCc1ccccc1)NCc1cccc(C#N)c1 20138312 LVHSQGHAUWQDPH-HNNXBMFYSA-N 264.372 3.669 30 20 CHED N#Cc1ccc(OCc2ccccc2C#N)c(Cl)c1 7857362 YXUPCHHIFBYIKC-UHFFFAOYSA-N 268.703 3.662 30 20 CHED N#C[C@@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 932158201 AHYVKNBAJGVRJD-LBPRGKRZSA-N 275.421 3.536 30 20 CHED CC/C(=N\c1ccccc1Br)S[O] 1857775856 DCZWQADWZNZUEA-PKNBQFBNSA-N 259.148 3.968 30 20 CHED CN(C[C@@H]1CC1(C)C)c1nc(C(C)(C)C)ccc1C#N 1163800891 AEDMJGDRPXSDMB-ZDUSSCGKSA-N 271.408 3.733 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 249823385 IDBMNNIJRSVHRB-AEGPPILISA-N 268.360 3.632 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1)c1ccccc1 37897497 AVAXPUCJYCLZAQ-UHFFFAOYSA-N 264.372 3.626 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(OC)ns1 660447215 WRAKNKKKCRFZTL-UHFFFAOYSA-N 288.416 3.730 30 20 CHED C[C@@H]1CCCCN1CCCNc1ccc(C#N)c(Cl)c1 61845811 PUQMNNBIEONAAE-CYBMUJFWSA-N 291.826 3.888 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H]1CC1(Cl)Cl 309486541 GPZSOCJFPOVUPB-QMMMGPOBSA-N 275.566 3.817 30 20 CHED CCc1ccc(OCCO[C@@H](C)C#N)c(C(C)(C)C)c1 312331231 JBQPHLMKCWAYOW-ZDUSSCGKSA-N 275.392 3.854 30 20 CHED Cc1nc(N(C)[C@@H](C)C2CCC2)c(Cl)cc1C#N 325206492 KXKPLQPUJLFSPC-JTQLQIEISA-N 263.772 3.540 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 617784236 PIQVUQDPJFGKAU-ZDUSSCGKSA-N 261.340 3.562 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(Br)o1 426560394 PPQGBEAPQXXNRG-SNVBAGLBSA-N 270.170 3.583 30 20 CHED C=CCCCCNCc1cnc(C(F)(F)F)s1 443995180 QFLPJMRRFUQAOB-UHFFFAOYSA-N 264.316 3.608 30 20 CHED CC[C@H](CC#N)NCc1sc(C)cc1Br 453564877 HNSRFKKVPHARNG-SECBINFHSA-N 287.226 3.601 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccsc1Cl 361508024 IBXBVTYKUOQHIG-UHFFFAOYSA-N 276.792 3.905 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1F 361836898 IPNRQHWRWUEDMX-NSHDSACASA-N 272.298 3.687 30 20 CHED N#Cc1ccc(N[C@H]2CCCC23CCOCC3)cc1Cl 383593950 LYHZHOSUBFDXEK-HNNXBMFYSA-N 290.794 3.973 30 20 CHED C=C(C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] 386742851 YVQIGCFXBFMZCA-UHFFFAOYSA-N 256.252 3.911 30 20 CHED Cc1cc(C)c(C#N)c(NCC2(C3CC3)CCC2)n1 393327910 WAMXJBHHXZSUTC-UHFFFAOYSA-N 255.365 3.562 30 20 CHED C=CCC(C)(C)CNCc1cccc(Br)c1O 393841324 UAXPGHHSCZNBLQ-UHFFFAOYSA-N 298.224 3.847 30 20 CHED C=C(C)CN(Cc1ccccc1)c1cncc(Cl)n1 795193057 FLYYHNPFHIFNKD-UHFFFAOYSA-N 273.767 3.713 30 20 CHED C#CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 8570462 IFUGYRKHYDCVJO-UHFFFAOYSA-N 279.339 3.568 30 20 CHED CC[C@H](CNC(=O)c1sccc1C#N)c1ccccc1 52029019 PWRQVDOEZMPEBR-GFCCVEGCSA-N 284.384 3.543 30 20 CHED C=C(C)CN(CC)C(=O)c1oc2c(F)cccc2c1C 52819338 SQJXKZJYABVWGN-UHFFFAOYSA-N 275.323 3.919 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C1CCCC1)C1CC1 175789931 WANBFMLOLABEST-UHFFFAOYSA-N 283.375 3.806 30 20 CHED COc1ccc2c(c1)CN(c1ccc(C#N)c(Cl)c1)CC2 111120921 TWRGJFRFIZIIML-UHFFFAOYSA-N 298.773 3.783 30 20 CHED Cc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1F 103241995 HJRCTNXKXYGORJ-GFCCVEGCSA-N 297.333 3.889 30 20 CHED CCCCCNC(=O)CS[C@H](C)c1ccc(C#N)cc1 118446609 ITKAULCEHRKNSV-CYBMUJFWSA-N 290.432 3.659 30 20 CHED N#C[C@@H](C(=O)C1CCCC1)c1nc(-c2ccncc2)cs1 114620076 HXXCWMAWQFMZMI-ZDUSSCGKSA-N 297.383 3.572 30 20 CHED C[C@@H](CNc1ccc(C#N)nc1)Sc1ccccc1 301510269 AOGUBCIAKJTLEY-LBPRGKRZSA-N 269.373 3.546 30 20 CHED CN(CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1C#N 301082445 IEAOJCUYYNHAGF-UHFFFAOYSA-N 295.342 3.535 30 20 CHED CCCC[C@@H](C(=O)[C@H](C#N)c1cccc(F)n1)C(C)C 1344697930 KLZLVCDUXOTOTI-CHWSQXEVSA-N 276.355 3.859 30 20 CHED Cc1nc(C)c([C@@H](C)N(C)Cc2ccccc2C#N)s1 171588935 DFURTFGXCDEPME-GFCCVEGCSA-N 285.416 3.825 30 20 CHED CCc1cccc(N/C(N)=N\Cc2ccc(CC)s2)c1 303894525 OYYDQCSIKRNJHL-UHFFFAOYSA-N 287.432 3.800 30 20 CHED N#Cc1ccc(Oc2cccc(Oc3ccccc3)c2)nn1 301943330 WBGQBSCJSWAXMQ-UHFFFAOYSA-N 289.294 3.933 30 20 CHED COCc1ccc(CNc2cc(C(C)=O)ccc2C#N)cc1 302050674 XFEIEHWGMPWVDV-UHFFFAOYSA-N 294.354 3.519 30 20 CHED C=C(C)CNC(=S)N[C@@H](c1ccccc1)C(C)(C)C 66006985 OCEFYGBMRNXUEN-AWEZNQCLSA-N 276.449 3.814 30 20 CHED CC(C)CNC(=O)[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 118446691 MCQCLUBIUMHCGH-STQMWFEESA-N 290.432 3.513 30 20 CHED C[C@H]1CC[C@@H](C)N1c1ccc(C(F)(F)F)cc1C#N 301920849 XGOQYEZEHALHRT-AOOOYVTPSA-N 268.282 3.954 30 20 CHED N#Cc1nc(N(Cc2ccccc2)C2CC2)ccc1Cl 301542568 SOAUIFUDUQPQBI-UHFFFAOYSA-N 283.762 3.776 30 20 CHED Cc1ccc(CCCCC(=O)N[C@@](C)(C#N)C(C)C)cc1 124622485 SNZCSQNVRUSYKN-SFHVURJKSA-N 286.419 3.762 30 20 CHED CN(C(=O)c1sccc1C#N)C1CCCCCCC1 123775822 VRPDIQAYGHUHMQ-UHFFFAOYSA-N 276.405 3.805 30 20 CHED C=CCC[C@@H](NCCc1cn2cccc(C)c2n1)C1CC1 121501142 MDFXHNOTIXGESS-QGZVFWFLSA-N 283.419 3.520 30 20 CHED CC(C)CCN(Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 129826732 UXNKHVUFQNMXTQ-OAHLLOKOSA-N 286.419 3.988 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1[C@H](C)CCC 120327913 PXAMYFJFOIKZDM-RDBSUJKOSA-N 252.402 3.561 30 20 CHED C#CCCCCC(=O)OCc1nc(Cl)ccc1Cl 180750874 CXXHHWUKBHMHJK-UHFFFAOYSA-N 286.158 3.625 30 20 CHED CC(C)c1csc(CN[C@@H](C)c2ccc(C#N)cc2)n1 181910543 IOSQEOLQFJMIOJ-LBPRGKRZSA-N 285.416 3.989 30 20 CHED CO[C@@H](CN[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1 181998713 GUTITVBZFBRYKX-ACJLOTCBSA-N 298.361 3.736 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc2ccccc12 76775345 XVZJJDVXORAAHQ-UHFFFAOYSA-N 260.724 3.714 30 20 CHED Cc1cc(C(=O)O[C@H](C)C(C)(C)C#N)c2ccccc2n1 185314375 SBMDFPUZGXURCS-GFCCVEGCSA-N 282.343 3.638 30 20 CHED C=CCOc1ccccc1C(=O)OCc1cccc(OC)c1 219715109 DGHOXHJENCWWMU-UHFFFAOYSA-N 298.338 3.617 30 20 CHED CC(=C/c1ccccc1)/C=C/c1nc(C(=O)O)ccc1C#N 508603444 JDHLIAMVICUVEH-CYAIPPBNSA-N 290.322 3.768 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCc1ccc2ccccc2c1 500791667 BYHCDAOUYPNKBS-OAHLLOKOSA-N 294.398 3.781 30 20 CHED CC(C)SCCN(Cc1ccc(C#N)cc1)C(C)C 336809724 WMOCBDAAOFFCJP-UHFFFAOYSA-N 276.449 3.910 30 20 CHED C=C(C)[C@H](NC(=O)[C@H](CC)SC)c1ccc(F)c(F)c1 186033340 DKVPVQJBCLCQSD-KBPBESRZSA-N 299.386 3.840 30 20 CHED C=CCCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 73089015 SCOMAVABDYYMDM-ZDUSSCGKSA-N 282.368 3.953 30 20 CHED Cc1occc1CN(C)CCC1(C#N)CCCCC1 411183899 DRRFDKJYQJLEJF-UHFFFAOYSA-N 260.381 3.884 30 20 CHED C=CCn1c(SCCC)nnc1-c1ccccc1OC 78440325 VWJAMJKQUMZLME-UHFFFAOYSA-N 289.404 3.642 30 20 CHED C=C(C)CCn1nnc(Cc2ccc(Cl)c(Cl)c2)n1 504956868 XMERXJGREUEUHF-UHFFFAOYSA-N 297.189 3.537 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 188826961 GARIEIODBGUFGQ-RHSMWYFYSA-N 296.414 3.940 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1C 186376152 BWZGKPCWZFZHJF-QPJJXVBHSA-N 255.292 3.734 30 20 CHED C=C(Br)CSc1cccc([N+](=O)[O-])c1 313554128 XFTZKPBRKFUSTA-UHFFFAOYSA-N 274.139 3.596 30 20 CHED C=C(C)CCSc1ncccc1Br 379410886 HBWLYPWKSFCLJD-UHFFFAOYSA-N 258.184 3.902 30 20 CHED CC(C)(C)c1ccc(NC(=O)NCC2(C#N)CCC2)cc1 416722975 HKILLPFAHNHXQZ-UHFFFAOYSA-N 285.391 3.799 30 20 CHED C=C(C)CN(C)C(=O)C[C@H](CC)c1ccc(OC)cc1 180413623 SGRBMNNNADSYAB-AWEZNQCLSA-N 275.392 3.613 30 20 CHED CC[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 41336473 RYVMOLQHEWIWOH-MRXNPFEDSA-N 282.318 3.830 30 20 CHED CCN(C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1C#N 48966456 SCAFCABMLITFGI-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1ccccc1Cl 182599315 SXZZDPWLFYEPEE-GFCCVEGCSA-N 281.783 3.580 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 184637781 WVIWPCKAAGHNRY-NWDGAFQWSA-N 297.320 3.632 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(Br)cc1 130698338 KXOCKERNGNTTAM-LBPRGKRZSA-N 280.209 3.903 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(OCCCC)cc1 47465534 RYXWZKNTVKSQFS-UHFFFAOYSA-N 273.376 3.680 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(SC)c1 44764642 CALDHZKRZVFAOP-UHFFFAOYSA-N 262.378 3.677 30 20 CHED CCc1ccc(C(=O)/C=C/c2cc(OC)cc(OC)c2)o1 83982130 WAAHSIUAYHJRDA-FNORWQNLSA-N 286.327 3.755 30 20 CHED COc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)s1 130943978 SMLQPKUMSQQJBD-MRXNPFEDSA-N 298.411 3.965 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(CCC#N)CC(F)(F)F)C1 80857447 UECYEBRPIFVYJQ-NWDGAFQWSA-N 290.329 3.507 30 20 CHED CCN(CCC#N)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 84409284 ULQKFRIKHSPFDP-UHFFFAOYSA-N 297.402 3.841 30 20 CHED CCCCCCC[C@@H](C)NC[C@@H](O)c1ccco1 136324519 SJVPPLKOFMMUHK-ZIAGYGMSSA-N 253.386 3.652 30 20 CHED N#Cc1ccc(OC(=O)[C@H]2CCCc3sccc32)cc1 137507186 DGSQYAZUHIQEOT-AWEZNQCLSA-N 283.352 3.645 30 20 CHED Cc1cccc(N(C)Cc2cc(F)ccc2C#N)c1 229958613 IBIFXJPVJSJTHQ-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C=CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 47849190 XRGBHRNONLGCJY-UHFFFAOYSA-N 295.338 3.590 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(F)ccc1OCC1CC1 191768707 VIOZSSRNULCEMO-NSHDSACASA-N 292.354 3.701 30 20 CHED Cc1cc(C)c(CN2CCC[C@@](C)(C#N)C2)c(C)c1 612163039 NLAKXFOIYQCFMN-KRWDZBQOSA-N 256.393 3.738 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)CCCc1ccccc1 46745955 SEYUYLHGHSWUAQ-UHFFFAOYSA-N 292.382 3.540 30 20 CHED C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)[C@@H]2CCCC[C@H]12 84077851 HMTORLAWOHQSAK-MRVWCRGKSA-N 288.416 3.661 30 20 CHED CC[C@H]1CCN(Cc2cc(C#N)ccc2Br)C1 191807004 KPXBHTYSJMITLX-NSHDSACASA-N 293.208 3.553 30 20 CHED N#Cc1cccc(CNC/C=C\c2ccc(F)c(F)c2)c1 512027239 UJFCAZXQTPAHOH-DJWKRKHSSA-N 284.309 3.639 30 20 CHED CCC(=O)c1cccc(NCc2cccc(F)c2C#N)c1 427407908 TYVONYNQKVCYGQ-UHFFFAOYSA-N 282.318 3.902 30 20 CHED CSc1cccc(NC(=O)NCc2cccc(C#N)c2)c1 43157097 ZILJBVSUEOGXQG-UHFFFAOYSA-N 297.383 3.602 30 20 CHED C=C(C)[C@H](NC[C@H]1CCC=CO1)c1ccc(F)c(F)c1 194718319 LYFXWFTXFPINHR-CJNGLKHVSA-N 279.330 3.864 30 20 CHED N#Cc1cccc(CN2CC[C@H](c3cccc(F)c3)C2)c1 513461064 KCHNHMRZUAVAGN-KRWDZBQOSA-N 280.346 3.687 30 20 CHED N#CCCCOc1cccc(CN2CC[C@@H]3CCC[C@H]32)c1 428452764 NAIUWPXWVDINCC-FUHWJXTLSA-N 284.403 3.744 30 20 CHED CC(C)c1ccc([C@H]2CCCN2C(=O)NCCC#N)cc1 426455964 CEEGCFFIMMYYQZ-MRXNPFEDSA-N 285.391 3.570 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1C(=O)CC(C)(C)C#N 335046554 WXUPLWWRCJCBOK-OAHLLOKOSA-N 288.366 3.738 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 192940833 XEMBEQMOFRHCTI-OAHLLOKOSA-N 292.382 3.974 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCc1cc(C#N)cs1 334251857 KVIBGZZPVORZDW-INIZCTEOSA-N 268.385 3.705 30 20 CHED C=CCN(CCC#N)Cc1ncc(-c2ccccc2)s1 428838981 IMOREFNALVROAP-UHFFFAOYSA-N 283.400 3.712 30 20 CHED N#Cc1cccc(Cl)c1N1CC[C@@H](c2cccnc2)C1 516764557 DOCDCGRBVUIGNX-CQSZACIVSA-N 283.762 3.601 30 20 CHED C#CCCCCC(=O)Nc1cc(Cl)cc(Cl)c1O 230871816 MPXDNPUSKBAZAG-UHFFFAOYSA-N 286.158 3.831 30 20 CHED CCC(CC)N(Cc1ccc(F)cc1C#N)C1CC1 519194667 HIHKPZPBURMWTA-UHFFFAOYSA-N 260.356 3.850 30 20 CHED C=CCC[C@H](NCC1([C@@H](O)c2ccccc2)CC1)C1CC1 90770742 VOLUVIRVFWLYOX-ROUUACIJSA-N 285.431 3.835 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C)c(Br)c1 93197874 LUVVXCUAOGVVEU-UHFFFAOYSA-N 296.208 3.796 30 20 CHED Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c(C)s1 617985280 ITICVEFWUWAFQN-CYBMUJFWSA-N 276.405 3.519 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CC(C)(C)C#N 335165448 NHHZWGBPEQFNET-NWDGAFQWSA-N 288.366 3.600 30 20 CHED O=C(/C=C\c1cccc(Cl)c1)c1ccc2c(c1)OCO2 96766784 WPRFMCPEPZIZIJ-XQRVVYSFSA-N 286.714 3.965 30 20 CHED C=CCSCCNC(=O)N[C@H](CC)c1ccc(C)cc1 338277460 PICONTREZBQZBA-OAHLLOKOSA-N 292.448 3.665 30 20 CHED Cc1c(C(=O)Nc2ccc(CC#N)cc2)ccn1C(C)C 338597351 LEHXVQLLFCDWAV-UHFFFAOYSA-N 281.359 3.696 30 20 CHED Cc1ccc(C)c(N(C)Cc2ccc(C#N)s2)c1 437989351 SWRZDGDHGFTKDO-UHFFFAOYSA-N 256.374 3.873 30 20 CHED Cc1ccccc1-n1ccnc1S[C@@H]1CC[C@H](C#N)C1 430120690 MKKOXEBENUZDSZ-UONOGXRCSA-N 283.400 3.965 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1cccc2ccccc12)C1CC1 436045789 ZNKODPZKFKINNJ-CQSZACIVSA-N 295.382 3.784 30 20 CHED Cc1ccc(C)c2c(C)c(/C(O)=N/[C@H](C)C[C@H](C)O)oc12 330808104 LSXWOHWQPPGOPO-NEPJUHHUSA-N 289.375 3.822 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)C1 436404813 ABURQQCBDPFDEW-NQZOLGFYSA-N 272.367 3.744 30 20 CHED C=CCOCCN[C@H](CCC)c1ccc(F)cc1F 339076842 GXBQMBGNQBORAD-OAHLLOKOSA-N 269.335 3.598 30 20 CHED Cc1ccc(F)c(CN(C)c2nccc(C#N)c2Cl)c1 343086656 SWWAIBXMOKBCAD-UHFFFAOYSA-N 289.741 3.691 30 20 CHED C[C@@H]1CN(CC(C)(C)CCC#N)C[C@@H](c2ccsc2)O1 245771597 RXSYHZJBUSTCGH-HIFRSBDPSA-N 292.448 3.840 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1C1CCCCC1 437857526 HGUASTXEKRPSMU-AEFFLSMTSA-N 292.467 3.502 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(CC#N)cc2)C1 347173324 SLQJREODBICTRY-HNAYVOBHSA-N 291.398 3.731 30 20 CHED N#Cc1csc(C(=O)Nc2nc3ccsc3s2)c1 437548316 LAXWCQMEMWOKFT-UHFFFAOYSA-N 291.382 3.543 30 20 CHED CC[C@H](C)CN(CC)Cc1ccc(O[C@H](C)C#N)cc1 245769629 RNXKEZFJCGDKCJ-LSDHHAIUSA-N 274.408 3.845 30 20 CHED N#CC1(F)CCN(c2ccnc3c(Cl)cccc23)CC1 343236181 HBJCVKINJIUPIN-UHFFFAOYSA-N 289.741 3.720 30 20 CHED Cc1coc(C)c1C(=O)[C@@H](C#N)c1nc2ccccc2o1 342465367 VCOFOUJPRJNCIC-LLVKDONJSA-N 280.283 3.528 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 345752486 AOKFNIKKZIMIEG-YJBOKZPZSA-N 292.382 3.636 30 20 CHED N#CC1(CSCc2coc(-c3cccs3)n2)CC1 344473604 XBKDGFNSQPNCII-UHFFFAOYSA-N 276.386 3.940 30 20 CHED C=CCC(C)(C)c1noc(C2C[C@H](C)O[C@@H](C)C2)n1 340814962 HFJHEJYGNJVLMG-QWRGUYRKSA-N 264.369 3.594 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC(F)F)c(OC)c1 341451103 DFGFMPOOMPSVFQ-LBPRGKRZSA-N 285.334 3.741 30 20 CHED O=C(/C=C\c1csnn1)c1cc(Cl)sc1Cl 255668101 IJLDIBVKWJPBGS-UPHRSURJSA-N 291.184 3.803 30 20 CHED Cc1cccc(C(=O)/C=C\c2cccnc2Cl)c1 255073247 FBERUBBXCPSKJE-FPLPWBNLSA-N 257.720 3.940 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)cc1 528274845 FSWRQFHSEFOMTQ-XOKHGSTOSA-N 282.387 3.534 30 20 CHED N#CCc1cccc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 602682307 PZOYINDKXDSRQO-ULQDDVLXSA-N 282.387 3.512 30 20 CHED Cc1ccc([C@H](C)CN2CCC(CC#N)CC2)cc1 600145109 ADMXZXKYOKRNMR-OAHLLOKOSA-N 256.393 3.724 30 20 CHED COc1cccc(/C=C\C(=O)c2occc2C)c1OC 255324893 NCJMUQLMOWZJPR-FPLPWBNLSA-N 272.300 3.501 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@@H]2c2ccc(Cl)c(F)c2)c1 343046025 PKENDIXPWYEMIA-RISCZKNCSA-N 287.725 3.714 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccccc2)C2CCCC2)n1 602536467 UDYAOPZYFJZDAT-IBGZPJMESA-N 291.398 3.974 30 20 CHED CC(C)CCOc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 442784464 PPZZQCOSLQUVPA-DOTOQJQBSA-N 286.419 3.893 30 20 CHED C=CCN(CC=C)C(=O)c1cccc2c3c([nH]c12)CCCC3 448316616 XSLCVMMOANZQQE-UHFFFAOYSA-N 294.398 3.861 30 20 CHED O=C(/C=C\c1ccccc1Br)c1ccncc1 254914720 HJTPUTQRAVHMND-WAYWQWQTSA-N 288.144 3.740 30 20 CHED C[C@@H]1CCCN(CCCCNC2CCC(C)(C#N)CC2)C1 449084786 YTKDUQDRJUBISQ-WWDZGPRUSA-N 291.483 3.561 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@H](C)c1ccc(CC)cc1 609990202 HCHYTPJXJZTEBO-XJKSGUPXSA-N 272.392 3.551 30 20 CHED CCC[C@@H]1CCCCN1Cc1ccc(F)cc1C#N 542626090 CZRLTCNPQWBGKB-MRXNPFEDSA-N 260.356 3.852 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1cccc(F)c1 255752536 AYENTKQVUPWAEY-SREVYHEPSA-N 261.683 3.770 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1cscc1Cl 603168633 GPAQZYARTXTJIA-UHFFFAOYSA-N 283.784 3.559 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc2c(c1)CCO2 255087348 WBNMPSYJAZFBMA-XQRVVYSFSA-N 296.370 3.538 30 20 CHED C[C@@H]1COC[C@H](c2ccccc2)N1Cc1ccccc1C#N 354857473 ISQUEVQSZITZAI-DNVCBOLYSA-N 292.382 3.520 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cccc(Nc2ccccc2)c1 609822160 WETJBNBVWGCQLA-KRWDZBQOSA-N 293.370 3.852 30 20 CHED C=CCCC1(C(=O)Nc2cccc(C3CC3)n2)CC1 353714926 VXJYZEFSZJGWNT-UHFFFAOYSA-N 256.349 3.644 30 20 CHED CCC[C@H](C)N(C)c1ccc(C(F)(F)F)c(C#N)n1 443512035 RRJQNELDYAPWAB-VIFPVBQESA-N 271.286 3.597 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(SC)oc1C 613276407 ZQNRLHUCTZPPSQ-SNVBAGLBSA-N 267.394 3.785 30 20 CHED C=C(CC)CNC1CCN([C@H]2CCCC[C@H]2C)CC1 449734681 NXRZJTDRHCFOGT-WBVHZDCISA-N 264.457 3.585 30 20 CHED CC(C)(C#N)CNc1cncc(SCc2ccccc2)n1 359097609 QMHHZOYZPKEZDZ-UHFFFAOYSA-N 298.415 3.731 30 20 CHED C=CCC1(NC(=O)c2ccc(Cl)c(C)c2)CCOCC1 618248380 FGRZGGBXOGZPMD-UHFFFAOYSA-N 293.794 3.504 30 20 CHED C=C(C)CN(CC)Cc1ccn(-c2c(F)cccc2F)n1 443621727 MXULEWWCVZXRJK-UHFFFAOYSA-N 291.345 3.549 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCC[C@H](SC)C2)CC1 356111417 DFCIGKPEXQWCBD-OLZOCXBDSA-N 267.438 3.523 30 20 CHED C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccc(Cl)s1 612239840 ZQHVCGZENLWFGD-QMTHXVAHSA-N 296.823 3.657 30 20 CHED CC(C)(C)Oc1cccc(CNc2cccc(CC#N)c2)n1 453142447 HUEMFZSPPBXOLR-UHFFFAOYSA-N 295.386 3.937 30 20 CHED C[C@H]1CCN(c2ccc(C#N)cc2F)CC12CCC2 537824110 XOVAQGICJKOIMF-LBPRGKRZSA-N 258.340 3.714 30 20 CHED C[C@H](Cc1cccc(F)c1)N(C)Cc1ccc(CC#N)cc1 459775229 WXWLQHWLTPYJHE-OAHLLOKOSA-N 296.389 3.955 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](CCC)OC)c1ccccc1 450180545 JQQDCDZCQDMYAX-JKSUJKDBSA-N 275.392 3.625 30 20 CHED CCc1cc(C#N)ccc1OCc1noc2c1CCCC2 619669047 LCYZNVYHEWUADM-UHFFFAOYSA-N 282.343 3.566 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)c2ccoc2)cc1C#N 452653903 AUPNWLQFVKSYQD-UHFFFAOYSA-N 284.315 3.581 30 20 CHED CC[C@H](Cc1ccccc1)N(C)CC1(C#N)CCC1 450441692 RFNDRHCBKVXADR-MRXNPFEDSA-N 256.393 3.633 30 20 CHED CCC[C@@H](NC(=O)NCC(C)(C)CC#N)C1CCCC1 459240466 QBLWRDBOMUNLQE-CQSZACIVSA-N 279.428 3.584 30 20 CHED CC[C@@H]1c2ccccc2CCN1c1nccc(C)c1C#N 612079578 ZQGRQHNJAGUHDZ-QGZVFWFLSA-N 277.371 3.776 30 20 CHED C#CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1 270259583 VSYWYFAVUGISEG-LJQANCHMSA-N 278.399 3.607 30 20 CHED Cc1csc(CCN[C@@H]2CCCc3cc(C#N)ccc32)n1 611390939 WPXQNMZZEICIJY-MRXNPFEDSA-N 297.427 3.533 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(CC#N)cc1 454336941 AJUWVUOXNCEPKJ-SUMWQHHRSA-N 285.391 3.843 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)C(C)(F)F)c1ccccc1 452844807 GDHLRGXOCSOEAE-DGCLKSJQSA-N 267.319 3.506 30 20 CHED CC[C@H](NCC1(CC)CCOCC1)c1ccc(C#N)cc1 278828999 TXAWFACXYGZYJZ-KRWDZBQOSA-N 286.419 3.806 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 617789825 VEDWRXMFSHYBGS-JTQLQIEISA-N 269.797 3.830 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Br)cnc1C 452992472 BYTJDUAJZHYSCO-ZDUSSCGKSA-N 297.196 3.693 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 540883646 UKAIEJJNACIQRC-LBPRGKRZSA-N 290.794 3.720 30 20 CHED C=CCC1(C(=O)N2CCCC[C@@H](SC)C2)CCCC1 450181441 RNSIKRDWDRXPAR-CQSZACIVSA-N 281.465 3.867 30 20 CHED Cc1ccc(C(C)(C)CN(C)C(=O)CC(C)(C)C#N)cc1 278311901 IYLGIGALUUYUDO-UHFFFAOYSA-N 286.419 3.671 30 20 CHED C=CCCc1noc(-c2cnn(CCC(C)C)c2CC)n1 453229595 HEPYDTOTWOCIOA-UHFFFAOYSA-N 288.395 3.660 30 20 CHED C=CCCNC(=O)[C@@H](CCC)c1cccc(Cl)c1 628058515 NGCMLXXJGUHKHY-AWEZNQCLSA-N 265.784 3.916 30 20 CHED CC[C@H](N[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(C#N)cc1 278367435 BWWQEQNTXWLWNP-FGTMMUONSA-N 286.419 3.803 30 20 CHED N#Cc1ccc(N2CCC(C(=O)c3cccs3)CC2)cc1 363136988 QOIWYMDWRMOWNV-UHFFFAOYSA-N 296.395 3.719 30 20 CHED C=CCCCN1CCC(c2ccccc2C(=O)O)CC1 363887485 JGROFUKJRMWXDS-UHFFFAOYSA-N 273.376 3.530 30 20 CHED C=C(C)CN(C)C(=O)C1(c2cc(F)cc(F)c2)CCCC1 626383114 DXYHMMKFAMNKPC-UHFFFAOYSA-N 293.357 3.811 30 20 CHED COc1ccc(C#N)cc1CN[C@H](c1cccs1)C1CC1 544398488 ADQNSJLHACEECC-KRWDZBQOSA-N 298.411 3.869 30 20 CHED CC[C@H](N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(C#N)cc1 278893417 YSKRFQGQGLYZCT-SQNIBIBYSA-N 284.403 3.557 30 20 CHED CCC(CC)[C@@H](NC(=O)NC[C@H](C)C#N)c1cccs1 543805328 FKMXWSVSLFSCTD-BXUZGUMPSA-N 293.436 3.684 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 465121656 SOUFLLVGESOJHY-KGLIPLIRSA-N 275.392 3.576 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(Cl)c2ccccc2n1C 467692181 RRUXDXFERYNFLH-NSHDSACASA-N 290.794 3.916 30 20 CHED C=CCOCCCC(=O)N(CCC)CCc1cccs1 274302161 ULSRYZVQUGGORK-UHFFFAOYSA-N 295.448 3.512 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](C)Oc1cccc(Cl)c1 468016892 KNKAIMVTAWGYHZ-LRDDRELGSA-N 295.810 3.826 30 20 CHED CC#CCCCC(=O)NCC(C)(C)C1CCCCC1 466644962 MXUXNWJSDHWFCX-UHFFFAOYSA-N 263.425 3.903 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCCCC(C)(C)C1 460810456 RFPNNVUBSUEISN-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCSC2(CCCCC2)C1 466376713 MOSIEMBNRMAPMG-AWEZNQCLSA-N 296.480 3.802 30 20 CHED Cc1c(C#N)cccc1NC(=O)Nc1cccc2cc[nH]c12 547830944 IYXGCTYYWMHZOT-UHFFFAOYSA-N 290.326 3.992 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CCC)Cc1ccccc1 467015966 UHXJDLXMPBCKFB-INIZCTEOSA-N 274.408 3.615 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 620858258 BMLBSHCBTNTXHR-VXGBXAGGSA-N 293.357 3.929 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C 375873766 NXMLGROFVNEWBQ-YXJHDRRASA-N 284.403 3.721 30 20 CHED C[C@@H](N[C@@H]1CCCC12CCOCC2)c1ccc(C#N)cc1 281954731 FTFAAUJBVCMRBS-RHSMWYFYSA-N 284.403 3.558 30 20 CHED C=CCC(C)(C)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 551240239 GNDPWDFPWZRISN-ZNMIVQPWSA-N 263.425 3.526 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1Cl)C1CCCC1 284972757 DDBFOHLRMVUCBG-UHFFFAOYSA-N 276.767 3.616 30 20 CHED C=C(C)CN(C)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 373198235 NZPNRLFLKYDEPI-ZDUSSCGKSA-N 271.364 3.614 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1ccc(C#N)c(F)c1 464648150 LSAVXLRAVDRBPH-NSHDSACASA-N 262.328 3.708 30 20 CHED Cc1cc(C)cc(CCN[C@@H]2CCc3ccc(C#N)cc32)c1 554983244 YIUOEFUYNRESOX-HXUWFJFHSA-N 290.410 3.995 30 20 CHED C=CC[C@H](CC)NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 374195281 VIXBXNJTZZQYMI-FECGAJCESA-N 279.399 3.766 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](C)[C@H](CO)C1 700436497 ITHWQAHJYBOETI-CVEARBPZSA-N 283.456 3.604 30 20 CHED CCOc1ccc(NC(=O)[C@@](C)(C#N)CC)c2ncccc12 289633647 BQJGQNVDJJPIIS-QGZVFWFLSA-N 297.358 3.512 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1cccc2ccccc12 465217845 SLRKJAISRVOVHT-OLZOCXBDSA-N 268.360 3.775 30 20 CHED CCCOc1cccc(CNCCc2cccc(C#N)c2)c1 466426676 WKHXDVACFUBGDW-UHFFFAOYSA-N 294.398 3.679 30 20 CHED CN(C)Cc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1Cl 281634596 OOZFYKMVQWGSAG-JSGCOSHPSA-N 291.826 3.896 30 20 CHED C=C[C@H](C)NC(=O)N(CCC)[C@H]1CCc2ccccc21 464761398 NWCMZGDKDCXDPS-BBRMVZONSA-N 272.392 3.670 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 289105131 QALBRVAHAMEOCZ-LSDHHAIUSA-N 299.418 3.517 30 20 CHED Cc1cccc2cc(C(=O)N(C)[C@H](C)CC#N)sc12 289851426 FOWCSFKEWUAIKS-LLVKDONJSA-N 272.373 3.584 30 20 CHED C=CCC(F)(F)c1nc(-c2ccccc2F)no1 551329051 JSTPAKZRLBHKJU-UHFFFAOYSA-N 254.211 3.544 30 20 CHED C=CCCC1(C(=O)NCc2ccccc2CC)CC1 476084597 OPMOPNZGFUMKES-UHFFFAOYSA-N 257.377 3.612 30 20 CHED C=CCN1CCC(NCc2cc3c(C)c(C)ccc3[nH]2)CC1 472064852 UCUIRHKCSHYTBY-UHFFFAOYSA-N 297.446 3.525 30 20 CHED COc1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1 806577890 IANMJGCBDXWMSF-XFFZJAGNSA-N 285.730 3.566 30 20 CHED C=CCCCCNC(=O)NC(C)(C)c1ccccc1 473937016 OBIASFRUGIQKKJ-UHFFFAOYSA-N 260.381 3.577 30 20 CHED C=CCCCCN[C@@H](C)CC(=O)Nc1cccc(C)c1C 471610719 ICGIWPNRABAHEE-HNNXBMFYSA-N 288.435 3.966 30 20 CHED CC(C)(C)C1CCC(=NN[C@H]2CCSC2)CC1 807998950 CMZMTJUBHLFSHQ-YUZLPWPTSA-N 254.443 3.674 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC=CCC1 470649219 QQCNVODZSBFAKP-QGZVFWFLSA-N 269.388 3.948 30 20 CHED COc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1C 806580067 ZQAVBAADRBSLSE-XYOKQWHBSA-N 299.757 3.874 30 20 CHED C#CC[C@@H](NCc1nnc(C(C)C)s1)c1ccccc1 295073807 WUQIEPJNRKFVJV-CQSZACIVSA-N 285.416 3.516 30 20 CHED C=CCCCCNC(=O)C[C@H](C)Cc1ccccc1OC 471702919 QZLPTKQDNJNCSX-OAHLLOKOSA-N 289.419 3.736 30 20 CHED Cc1cc(F)ccc1C1CCN(C(=O)CCCC#N)CC1 292864465 OODRMZUAOPVPLS-UHFFFAOYSA-N 288.366 3.534 30 20 CHED CCn1c(CN2CCC(CCC#N)CC2)nc2ccccc21 566247200 DZNHGZUZCFIYOV-UHFFFAOYSA-N 296.418 3.572 30 20 CHED COc1ccc(/C=C\C(=O)c2cncc(C)c2)c(C)c1OC 806572668 MODFCIFJOOKIFC-ALCCZGGFSA-N 297.354 3.612 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N(CCC#N)c2ccc(F)cc2)C1 569898777 DDWMFDIPZOVWLW-KGLIPLIRSA-N 288.366 3.899 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Cc1ccc(C)cc1 471712811 DOMXUGFPSLMKMQ-HNNXBMFYSA-N 259.393 3.646 30 20 CHED C#CCCCc1nc(COc2ccc3ccccc3c2)no1 809332084 QPZDCHPAZMIDOL-UHFFFAOYSA-N 292.338 3.758 30 20 CHED Cc1cccc(NCc2nnc(-c3cccc(C#N)c3)o2)c1 471632090 AHQPCOSDDDXFBC-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=CCCCCCCCCNC(=O)c1cnccc1C#N 805277908 MXNBYXDKAXFQHK-UHFFFAOYSA-N 285.391 3.600 30 20 CHED CCCCCCCCN[C@@H](c1nnc[nH]1)c1cccs1 294836659 RNRJSWVFOZRNBQ-CQSZACIVSA-N 292.452 3.906 30 20 CHED Cc1ccccc1-n1cc(/C=C\C(=O)C2CCCCC2)nn1 806571451 VWZSCVKPZPQKHC-QXMHVHEDSA-N 295.386 3.738 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@@H]1C(C)C 292582298 JVTIISZTLVRAOZ-HNNXBMFYSA-N 285.391 3.765 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2CCCCCC2)cc1 567145049 ANGIJMJIMZSWGS-KRWDZBQOSA-N 284.403 3.900 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccccc2CC)no1 810279093 RBLDETNSSZLRDL-UHFFFAOYSA-N 288.350 3.871 30 20 CHED C1=C([C@@H]2CCCCC2=NNc2ncccn2)CCCC1 814797092 DUWOHUJLQKAJAL-AWEZNQCLSA-N 270.380 3.935 30 20 CHED CCCC(=NNc1ccc(F)cc1OC)c1cccnc1 814915956 NAQWKZRSWUSRMH-UHFFFAOYSA-N 287.338 3.846 30 20 CHED C=C(Br)CN(Cc1ccc(Cl)cc1)OC 812911237 NFXCDNLHSAPHNY-UHFFFAOYSA-N 290.588 3.612 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC(C)=C(C)C1 569769808 MAZBNXCIIUMMRI-GFCCVEGCSA-N 274.412 3.524 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 814324592 OHQBPBMMUYYIKB-ROUUACIJSA-N 298.430 3.550 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N[C@@]1(C#N)CC1(C)C 813300998 TUHDEAZMCZZWCJ-YCABEKBOSA-N 288.778 3.552 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(CN(C)C)cc1 814814946 GRRGLQCJDRNJLG-OAHLLOKOSA-N 295.430 3.823 30 20 CHED CC(C)CCC=NNc1nc(-c2ccccc2)no1 814829556 ZNSDVPPEEMNDFS-UHFFFAOYSA-N 258.325 3.571 30 20 CHED CC1(C)CC(=NNc2ccc(F)cn2)c2sccc2O1 814842634 MWFHFSVUXVXAQW-UHFFFAOYSA-N 291.351 3.660 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(F)c2C#N)cnn1C(C)C 811692159 XLEHFKXSQSPEFE-BQYQJAHWSA-N 297.333 3.679 30 20 CHED Cc1ccccc1NC(=S)NN=Cc1ccc(Cl)o1 814713400 NRROULHECUXIKJ-UHFFFAOYSA-N 293.779 3.562 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccncc2)c(C)n1C1CC1 819814856 GKUKHQVXXQXCRZ-CYBMUJFWSA-N 282.391 3.520 30 20 CHED CCOc1ccc(NN=C(C)c2cc(N)ccc2F)cc1 814984987 NZUZLDFEPVFQIN-UHFFFAOYSA-N 287.338 3.643 30 20 CHED CO[C@@](C)(C=NNc1ccc(Br)cc1)C1CC1 814795805 HFJGUFPFURRDEY-ZDUSSCGKSA-N 297.196 3.662 30 20 CHED CSc1ccc(C=NNc2cccc(Cl)n2)s1 814939513 SRZNRHHOUOVOHD-UHFFFAOYSA-N 283.809 3.964 30 20 CHED CC(C)CON=C[C@H](CC1CCC1)NC(=O)OC(C)(C)C 814884231 SFPDFRWLCPVDSG-AWEZNQCLSA-N 298.427 3.728 30 20 CHED C=CCCCCCCCNC(=O)c1ccncc1C 811590781 KPKATSHVELYZOY-UHFFFAOYSA-N 260.381 3.646 30 20 CHED C=CCn1cccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 488703586 QHJXYUHANBSJGB-GFCCVEGCSA-N 299.399 3.744 30 20 CHED CC(C)(C#N)C(=O)OCCCOc1ccc2ccccc2c1 727872609 LDVVIJNGKRQPTM-UHFFFAOYSA-N 297.354 3.702 30 20 CHED C=CCCC(=O)OCc1csc(-c2ccccc2F)n1 728341336 FTRLILAMILNCOU-UHFFFAOYSA-N 291.347 3.959 30 20 CHED C(=NOCCC1CC1)c1ccccc1OCc1ccncc1 814245161 KIDZHWNADGUJMY-UHFFFAOYSA-N 296.370 3.811 30 20 CHED CC[C@@H](NCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1O 811501784 XNPWTCOCIXPPEG-GFCCVEGCSA-N 298.308 3.755 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)CSc1ccccc1 488880918 VISKXWHOTWIMNM-LSDHHAIUSA-N 289.444 3.982 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H]2CC23CCCC3)cc1 571578204 GSBXYTJSTKOJIY-IAGOWNOFSA-N 296.414 3.852 30 20 CHED C[C@]1(CN(CCC#N)Cc2ccco2)CC1(Cl)Cl 827963324 IHRJFRFTSADHJM-GFCCVEGCSA-N 287.190 3.579 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cscn1 571741950 KZCCFPNHXVOLAZ-HIFRSBDPSA-N 272.417 3.981 30 20 CHED N#CCCCCOC(=O)C[C@H](c1ccccc1)C(F)(F)F 728654824 YVUKZNBUVMLGBA-CYBMUJFWSA-N 299.292 3.960 30 20 CHED COc1ccc(CNN=C(Cc2ccccc2)C2CC2)cc1 729142130 MRZRUCUAEXDMIX-UHFFFAOYSA-N 294.398 3.794 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N(CC)C[C@H](C)C#N 499395077 WRNQEMZWXQDSFH-ZBFHGGJFSA-N 278.440 3.991 30 20 CHED COc1cc(C(C)=NNC2CCCC2)ccc1OC(F)F 727651965 FEGORHNVFCOCAC-UHFFFAOYSA-N 298.333 3.553 30 20 CHED CCC1(NCc2ccc(O[C@@H](C)C#N)cc2)CCCC1 824651382 ZNUYDSWZJHKRNZ-AWEZNQCLSA-N 272.392 3.790 30 20 CHED C=CCCOCC(=O)N1CCCc2c(C)ccc(Cl)c21 662046562 DJKWKEWQBOPSNN-UHFFFAOYSA-N 293.794 3.520 30 20 CHED CCC[C@H](Cc1ccccc1)/N=C\c1cccc(O)c1O 727781343 JWXJCWPGRZYJBG-YZYPPFLQSA-N 283.371 3.928 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)OCC1(CC#N)CC1 820139188 UPEYFIAOIRTSDL-HNNXBMFYSA-N 285.387 3.801 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@]1(CCC)C(F)(F)F 499067219 AOZCVRHZTNGRPS-CHWSQXEVSA-N 279.346 3.511 30 20 CHED C=CCCC(=O)N(CCc1ccc(F)cc1)CC(C)C 588024319 RYTNRWPVVPITJM-UHFFFAOYSA-N 277.383 3.819 30 20 CHED CC#CCCNC(=O)Nc1ccccc1N1CCCCCC1 497689533 YXSQMFZXTHZROV-UHFFFAOYSA-N 299.418 3.602 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(NC(C)=O)c1 664471419 QZZQEWDZEUBPAQ-UHFFFAOYSA-N 289.379 3.511 30 20 CHED CCCCc1ccc(N(C)C(=O)c2cc(C#N)[nH]c2C)cc1 826812127 IOFHKVRFFIEBAT-UHFFFAOYSA-N 295.386 3.814 30 20 CHED C=CCN(C(=O)Nc1cc(C)ccc1Cl)[C@@H](C)COC 666347828 JGCJPGWDKDPWBH-LBPRGKRZSA-N 296.798 3.703 30 20 CHED O=C([C@H]1CC=CCC1)N(O)Cc1cccc2ccccc12 900091865 QOBQPRWMNVQIAV-HNNXBMFYSA-N 281.355 3.914 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CCC[C@H](O)C1 737792675 QMINQRSXVJHSSP-ISBHARSQSA-N 281.440 3.667 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)NCC(C)(C)C#N 903100324 NTTDXGAQYQTTQV-HNNXBMFYSA-N 262.372 3.532 30 20 CHED Cc1ccc(OCCCON=C2CCCOCC2)cc1C 588398378 AGWAEOKXRXBTAL-UHFFFAOYSA-N 291.391 3.645 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)CCCCCC#N 588160644 GLPHERDIDYPXRG-WBVHZDCISA-N 284.403 3.865 30 20 CHED O=C(/C=C\c1ccccc1Br)c1cncs1 735793179 SBTMRLCZVHURQU-WAYWQWQTSA-N 294.173 3.802 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCCCC1(C#N)CCOCC1 499638969 ZIMOHHDISXSOBD-CVEARBPZSA-N 278.440 3.645 30 20 CHED CCn1cncc1/C=C1\CCOc2c(C)cc(C)cc2C1=O 901485724 MTAYEWDGGUSZGP-NTEUORMPSA-N 296.370 3.569 30 20 CHED N#Cc1ccccc1COC(=O)C[C@H]1CCc2ccccc21 734629779 UPXVUURSYABQHR-OAHLLOKOSA-N 291.350 3.722 30 20 CHED CCC(CC)NN=Cc1cnc(C(C)(C)C)s1 734364767 FCILSZKFQSLTTB-UHFFFAOYSA-N 253.415 3.553 30 20 CHED CCC[C@H](CC(C)C)C(=O)OCC1(CC#N)CC1 835188167 PYLLJLCKGXXPIM-CYBMUJFWSA-N 251.370 3.686 30 20 CHED CC(C)(C)Oc1ccncc1NC(=O)CCCCCC#N 588949758 VRWYKCZUKIZKPB-UHFFFAOYSA-N 289.379 3.671 30 20 CHED Cc1cccc(/C=C2\COc3ccccc3C2=O)c1C 731155565 LAZWSFMYDXWHQV-XNTDXEJSSA-N 264.324 3.962 30 20 CHED CC(CC1CCCC1)=NNc1ncc(F)cc1F 835022070 ATRISXXZCFLXDV-UHFFFAOYSA-N 253.296 3.728 30 20 CHED Cc1cc(Cl)cc([C@H](C)NCC2(C#N)CCC2)c1O 903035930 WPFQPKVMVKPSGN-NSHDSACASA-N 278.783 3.699 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](Cc2ccccc2)C2CC2)c1 736430788 HWZKRHOVBVIRBV-ACRNLXFHSA-N 295.382 3.841 30 20 CHED Cc1cc(OC(=O)O[C@H](C)CC(C)C)ccc1C#N 831281340 UZZDTXACMASHHG-GFCCVEGCSA-N 261.321 3.817 30 20 CHED N#CC1(C(=O)OCc2c(F)cccc2Cl)CCCC1 733800444 RGDIRCQAKJUUIU-UHFFFAOYSA-N 281.714 3.606 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCCc2cccs2)C1 839041566 DMFGTVLAJKJBAP-QWHCGFSZSA-N 277.389 3.696 30 20 CHED Cc1cc(C(=O)OCCCCC#N)c2c(c1)[C@@H](C)CCN2 837718950 ADCKARJXOHHMFI-ZDUSSCGKSA-N 286.375 3.765 30 20 CHED COc1ccc([C@H](C)C(C)=NOC(C)C)cc1OC 835002784 OIUZMFUDLYKEEW-LLVKDONJSA-N 265.353 3.608 30 20 CHED CC[C@@H](C)CON=C(C)c1nc(Br)cs1 834981613 UDVJAJQZYLSUEI-SSDOTTSWSA-N 291.214 3.692 30 20 CHED Cc1noc(C)c1[C@H](C)/N=C\c1cc(Cl)ccc1O 733749879 DBWWVHXHDAALSJ-RBYRDDOMSA-N 278.739 3.831 30 20 CHED Cc1ccc(CN(c2ccc(C#N)c([N+](=O)[O-])c2)C2CC2)o1 589561882 IGKDUSNTEOMJQS-UHFFFAOYSA-N 297.314 3.537 30 20 CHED C=C(C)CNC(=S)N(CC)Cc1ccccc1Cl 915127930 SPDWSBSVLNMTPY-UHFFFAOYSA-N 282.840 3.613 30 20 CHED COc1cccc(NN=Cc2ccc(C)c(C)c2)c1 915955923 NDWZPAXQCJGKTE-UHFFFAOYSA-N 254.333 3.758 30 20 CHED Cc1nc([C@@H](C)NCCc2ccc(C#N)cc2)c(C)s1 595055895 MCPZWLXJVUZBBP-LLVKDONJSA-N 285.416 3.525 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1ccc2cnccc2c1 835337706 PTDXUZUURQBFCQ-SFHVURJKSA-N 299.370 3.620 30 20 CHED C[C@@H](N[C@H]1CCN(C2CCCCC2)C1)c1cccc(C#N)c1 595080778 NYVVTSLIMVCUJT-QAPCUYQASA-N 297.446 3.616 30 20 CHED Clc1cccc(NN=Cc2c[nH]nc2-c2cccnc2)c1 839383110 AINNSXHNOMISAN-UHFFFAOYSA-N 297.749 3.571 30 20 CHED C=CCON=C(CC)CSc1ccccc1[N+](=O)[O-] 835013299 PYFRLTCHEQQVPH-UHFFFAOYSA-N 280.349 3.656 30 20 CHED C=CCOC(=O)C(C)(C)c1ccc2ccccc2c1 744042102 HRXFWDGBYCONCL-UHFFFAOYSA-N 254.329 3.847 30 20 CHED C#CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)s2)cc1 741549477 NWVXOWOVRNIWSO-ZDUSSCGKSA-N 299.395 3.560 30 20 CHED Cc1cc(C(=O)/C=C\c2ccnn2CC(C)C)cs1 843270362 ZJKNVRJPGPJDIW-PLNGDYQASA-N 274.389 3.805 30 20 CHED COc1ccc(CNN=Cc2cc3cc(F)ccc3o2)cc1 741762841 URLSIBYWPRTAIQ-UHFFFAOYSA-N 298.317 3.704 30 20 CHED N#CCSCCCSCc1cccc(F)c1F 918860577 AFDUWMQRCIJXAU-UHFFFAOYSA-N 273.373 3.845 30 20 CHED N#CCC1(CSc2ncc(-c3ccccc3)[nH]2)CC1 594890305 PNASGZLNUDAREP-UHFFFAOYSA-N 269.373 3.863 30 20 CHED Cc1nc(C#N)c(NN=Cc2cc(Cl)cc(Cl)c2)o1 917554141 FGXDEYDVKKDFME-UHFFFAOYSA-N 295.129 3.608 30 20 CHED Cc1ccc(CCN[C@@H]2CCC[C@H](C#N)C2)cc1C 595073286 RLNTVASZZXDVBZ-DLBZAZTESA-N 256.393 3.518 30 20 CHED CCC(=NNc1cc(C#N)cc(Cl)n1)[C@H]1CC1(C)C 841632249 MJAPSIHEGZCOFE-SNVBAGLBSA-N 276.771 3.831 30 20 CHED C/C(=C\C(=O)N(C)c1ccc(C#N)cc1)c1ccc(F)cc1 749149930 IGYZGNDQTHWANN-ACCUITESSA-N 294.329 3.764 30 20 CHED COc1cccc(/C=N\Cc2ccc(C)cc2C)c1O 915981937 ZQGKTQYMWUDTGG-WQRHYEAKSA-N 269.344 3.637 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCc3ccc(F)cc32)cc1 747881360 QXYNQUOXLLCJLC-MRXNPFEDSA-N 281.286 3.542 30 20 CHED CC[C@H](C)N(CC)C(=O)C[C@@H](CC#N)c1ccccc1 597855630 LHAWLKZHRFURBQ-GOEBONIOSA-N 272.392 3.721 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cc(C)on2)cc1 844549649 DHTAEVCQEZLZCV-RMKNXTFCSA-N 271.316 3.668 30 20 CHED COc1ccc(Br)c(NN=C[C@H]2C[C@H]2C)c1 841658304 WGXGOGSKTBQDRD-RKDXNWHRSA-N 283.169 3.511 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 590757011 XYCVAVYLKGKPIM-TZMCWYRMSA-N 290.794 3.654 30 20 CHED C[C@H](OC(=O)C=C1CCCC1)c1ccc(C#N)cc1 748686552 YUIUSUPZTNDWEA-LBPRGKRZSA-N 255.317 3.663 30 20 CHED CC[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1OC 758375289 PPJBAQCPQGDQJV-JTQLQIEISA-N 277.324 3.581 30 20 CHED C(=NNC1CCOCC1)c1cc(-c2ccccc2)cs1 757589448 FMLDNDRKRZKFEG-UHFFFAOYSA-N 286.400 3.518 30 20 CHED COCC[C@H]1CCCC1=NNc1cc(F)ccc1C 853393789 QQKHARUUOXFHQS-GFCCVEGCSA-N 264.344 3.739 30 20 CHED Clc1csc(C=NNc2nc3ccccc3s2)n1 758092056 ZDBYJQJUWBGLCV-UHFFFAOYSA-N 294.792 3.852 30 20 CHED C=CCCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 681202561 SHRPUNQPWBPKOD-UHFFFAOYSA-N 276.767 3.907 30 20 CHED CC(C)(NCCc1ccc(C#N)cc1)c1ccc(F)cc1 851838821 TUJFWPZLNRSOSL-UHFFFAOYSA-N 282.362 3.765 30 20 CHED CC(C)c1ccccc1NC(=O)[C@H](C)ON=CC1CC1 853734508 CVKSIKDTCTVIHI-LBPRGKRZSA-N 274.364 3.549 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1c[nH]c2cc(F)ccc12 924877414 RMZZLDYFWVLOPO-GFCCVEGCSA-N 287.382 3.767 30 20 CHED C#CCCCC(=O)N(CCc1ccc(F)cc1)CC(C)C 757994947 OGVFEMPEDFZKAR-UHFFFAOYSA-N 289.394 3.656 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc([N+](=O)[O-])cc1 750901590 UNXAHVJPNNWLMF-UITAMQMPSA-N 285.274 3.938 30 20 CHED C=C(C)CNC(=S)N[C@@H](c1ccc(F)cc1)C(C)(C)C 920992401 DGBSYHUNFRZJAJ-AWEZNQCLSA-N 294.439 3.953 30 20 CHED CCCC[C@](C)(F)C(=O)[C@H](C#N)c1cnc2ccccc2n1 850986891 TWQHYYOEBUENGF-PXAZEXFGSA-N 299.349 3.724 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)OC1(C#N)CCC1 753987348 AIFHNUTWCVPZIG-KGLIPLIRSA-N 283.371 3.965 30 20 CHED COCC(=NNc1ccc(Cl)c(Cl)c1)C1CC1 754262226 ZXJHXVZOIREKHL-UHFFFAOYSA-N 273.163 3.818 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cccc(C#N)c1 921258513 IYIYTJKLAUCNHI-UHFFFAOYSA-N 261.328 3.629 30 20 CHED O=C1/C(=C\c2ccsc2)Oc2cc(F)cc(F)c21 758028366 FBEZNIQQSJRTQN-QDEBKDIKSA-N 264.252 3.643 30 20 CHED CO[C@@H](C)C(C)=NNc1nc2ccc(Cl)cc2s1 853438902 RZBIEWSFOCLGAR-QMMMGPOBSA-N 283.784 3.772 30 20 CHED COc1cccc2c1C/C(=C/c1cccnc1Cl)C2=O 759666867 WBQQXAZRMBKQPA-FLIBITNWSA-N 285.730 3.566 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)c(F)c1)CC2 755599641 DHKBEYHKLNGZBP-JYRVWZFOSA-N 298.313 3.752 30 20 CHED CCOc1cccc(/C=N/Cc2cc(C)cc(OC)c2)c1O 751523638 OYYTYUYEJMYHNF-XDHOZWIPSA-N 299.370 3.727 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(F)c2occc12 930117281 IPMKJQRAISDNLV-UHFFFAOYSA-N 261.296 3.610 30 20 CHED C#C[C@H](Cc1ccccc1)OC(=O)C[C@@H](C)c1ccco1 860619542 YBJNKBLLTFNDJR-GDBMZVCRSA-N 282.339 3.561 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1nccnc1Cl 769586470 PUTCOQLJPOJVJX-ZJUUUORDSA-N 266.776 3.744 30 20 CHED CO[C@@H](C(C)=NNc1cccc(C)n1)c1ccccc1 863160268 XDYYGKZNVDUZRU-INIZCTEOSA-N 269.348 3.566 30 20 CHED CC(C)(C)c1cn(Cc2ccc(C#N)cc2Cl)cn1 865376377 LDYMWTNGYIJTAS-UHFFFAOYSA-N 273.767 3.754 30 20 CHED COc1cc(F)ccc1NN=C1C[C@@H](OC(C)C)C1(C)C 761889289 CYPYVBPFHDXSCQ-OAHLLOKOSA-N 294.370 3.826 30 20 CHED N#Cc1ccc(CNN=C2CCSc3ccccc32)cc1 769817054 ZNICHVJUUFXUDR-UHFFFAOYSA-N 293.395 3.548 30 20 CHED Cc1ccccc1CC(=O)Nc1ccc(C#N)c(Cl)c1 15597192 BOBOBSGTGGWLMK-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CSCC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 932592162 OHLILZXZLVXGBZ-ZDUSSCGKSA-N 274.433 3.694 30 20 CHED CCC(CCc1ccccc1)=NNC[C@@H]1CCSC1 863111607 DBOZNMRLRGDEPT-HNNXBMFYSA-N 276.449 3.728 30 20 CHED COC(=O)Nc1ccc(NCc2ccc(C#N)c(C)c2)cc1 767681443 NOLLKLLWNXLTSR-UHFFFAOYSA-N 295.342 3.657 30 20 CHED CC[C@H](C#N)NC(=O)c1ccc(-c2cccs2)s1 1116607191 IIJFWZVEKLPBPM-SECBINFHSA-N 276.386 3.509 30 20 CHED Clc1ccc2c(c1)C(=NO[C@@H]1CCCCO1)CC2 762453238 TWDNKZOOBRDDAJ-CQSZACIVSA-N 265.740 3.534 30 20 CHED C#C[C@@H](OC(=O)c1cncc(-c2cccc(C)c2)c1)C1CC1 767528284 IKOUZRPYBLFNQW-GOSISDBHSA-N 291.350 3.626 30 20 CHED CCC(CC)(CC)CNC(=O)CC#Cc1ccccc1 1116270168 GUYZPBDBTVPITG-UHFFFAOYSA-N 271.404 3.761 30 20 CHED C#CCCCCCCNCc1cccc(NC(=O)OC)c1 877520235 QHRHWCGWYOZUBB-UHFFFAOYSA-N 288.391 3.538 30 20 CHED Clc1cscc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 774593445 NTJKHIXNKKCAPC-HOTUBEGUSA-N 254.786 3.514 30 20 CHED Cc1ccc(F)cc1C=NNc1nc(-c2ccccc2)no1 777886863 USAHHRJSWGVMOK-UHFFFAOYSA-N 296.305 3.630 30 20 CHED C[C@H](OC(=O)C[C@@H]1C=CCCC1)c1cccc(C#N)c1 778630415 ATKRNBRZIBNYJC-UONOGXRCSA-N 269.344 3.909 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1ncccc1C)C(C)C 878954619 CHRYDWMNIMYVSE-OAHLLOKOSA-N 274.408 3.806 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 879375225 KGUBUEDFZGXBCK-BLLLJJGKSA-N 293.382 3.620 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1ncccc1C(F)(F)F 773125724 OMCNILRABFMPMX-CYBMUJFWSA-N 299.340 3.993 30 20 CHED C=C(CC)COC(=O)[C@@H](C)Oc1ccc(SC)cc1 773521243 GAAMDTXJWKQOAW-GFCCVEGCSA-N 280.389 3.685 30 20 CHED C=CCCN(C)CCc1ccc(OC(F)(F)F)cc1 1116738948 GNTSQVKZWXVJGV-UHFFFAOYSA-N 273.298 3.636 30 20 CHED C=CCN(C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F)C(C)C 772523246 JGXBOPJDUQWNGZ-MNOVXSKESA-N 280.334 3.569 30 20 CHED C=CCCCCN[C@H](Cn1ccnc1)c1ccccc1 880568995 GIAZIZMNSCUFMP-QGZVFWFLSA-N 269.392 3.570 30 20 CHED N#CCc1cccc(C(=O)O[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 771016623 PKCHYKNRGGDVRN-HLLBOEOZSA-N 283.371 3.878 30 20 CHED C=C1CCC(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 889023897 NTAWIQYGIWDVTF-VNQPRFMTSA-N 261.409 3.912 30 20 CHED C=CCN(C)Cc1cc2oc3ccccc3c2cc1O 777544695 QKNYHXMQUWZADY-UHFFFAOYSA-N 267.328 3.909 30 20 CHED CC(C)[C@H]1CC(=NNc2ccc3ccccc3n2)CCO1 776758806 YRVCSANZJMPLSN-MRXNPFEDSA-N 283.375 3.838 30 20 CHED CC(Cc1ccncc1)=NN[C@H]1CCCCC1(C)C 773125757 QKKNGIVUMUWDIR-HNNXBMFYSA-N 259.397 3.558 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(O)c(COC(C)C)c1 880027381 XJKDIDOYJPCEDN-UHFFFAOYSA-N 291.391 3.858 30 20 CHED CC(=NNc1nc2ccccc2cc1C)[C@H]1CCCO1 783858842 GOZCCIYINJXCSC-OAHLLOKOSA-N 269.348 3.510 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3sccc3C)cn2c1 789143786 SKNVKMWYNZZUOU-PLNGDYQASA-N 282.368 3.909 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(Cl)ccc1OC 887591481 QAZOFSZWEYXNKC-UHFFFAOYSA-N 267.756 3.889 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)c1ccc(Cl)o1 780039491 HXPBNMFLQWKSPV-UHFFFAOYSA-N 296.109 3.815 30 20 CHED Cc1cc(C)cc(NC(=S)N2CCC(CC#N)CC2)c1 781548148 UIUZZYGXVOOVAD-UHFFFAOYSA-N 287.432 3.626 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@H](O)C[C@@H]1C 788543264 SDVPKJPVNRNXHF-HRCADAONSA-N 283.456 3.745 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)CCC1CCCC1 785760975 FOPYDAUIGSPYFP-MRXNPFEDSA-N 266.381 3.671 30 20 CHED CC(C)(C#N)CNc1ccc(C(F)(F)F)c(Cl)n1 781684375 OSPFIUHDQBXLHU-UHFFFAOYSA-N 277.677 3.715 30 20 CHED C=CCC[C@@H]1CCCN1c1nc(Cl)c(C#N)s1 1120888883 PAUAQHKGUBGBFC-SECBINFHSA-N 267.785 3.603 30 20 CHED C[C@H]1CCCCN1c1ccc(C#N)cc1C(F)(F)F 97758370 BNMVFPZOEQJNDI-JTQLQIEISA-N 268.282 3.956 30 20 CHED CCCCCCCCCC(=O)NCc1c(C)n[nH]c1C 103271123 LACKNRQFIKZHRP-UHFFFAOYSA-N 279.428 3.783 30 20 CHED C=C1CC(c2noc(CCc3cncc4ccccc34)n2)C1 896883534 LFJZTBYIOFRVDD-UHFFFAOYSA-N 291.354 3.837 30 20 CHED CCCCc1ccc(C(C)=NOC[C@H]2CCOC2)cc1 788034292 PONGFABFMSBSRV-INIZCTEOSA-N 275.392 3.806 30 20 CHED CC[C@@H](Nc1nccc(C)c1C#N)c1ccccc1OC 784143094 KSPUUQXVBDMAQV-OAHLLOKOSA-N 281.359 3.834 30 20 CHED CCC[C@@H](C=NOC[C@H]1CCOC1)c1ccccc1 788037500 WDYWMJQALDEBDA-HOCLYGCPSA-N 261.365 3.609 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccccc3C)cn2c1 789130733 QMACRQJKJMIDFI-HJWRWDBZSA-N 276.339 3.847 30 20 CHED C=CC1(OC(=O)[C@H](C)Cc2cncc3ccccc23)CC1 893359519 ZVKZCEQDMXKCRN-CYBMUJFWSA-N 281.355 3.675 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ncc(C(C)C)s1 790975979 VKVBMIQQTQSJBS-CQSZACIVSA-N 267.394 3.912 30 20 CHED Cc1ncc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 90404773 MYZPUBYXCSPQIE-MNOVXSKESA-N 271.389 3.735 30 20 CHED COc1ccc(C)cc1NCc1ccc(CC#N)cc1 399127882 LPOIXCZGKQGKEZ-UHFFFAOYSA-N 266.344 3.682 30 20 CHED CSc1ccc(CNc2cc(C#N)ccc2C)o1 1202716196 ZOUKTWFQRIAIHD-UHFFFAOYSA-N 258.346 3.794 30 20 CHED C[C@H]1C[C@@H](CC(=O)N(CC#N)c2ccccn2)CC(C)(C)C1 892465220 STKDYIRGJKROHX-GJZGRUSLSA-N 299.418 3.791 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(C)c(C#N)c2)s1 799320153 YKMACEKYSGHGHG-UHFFFAOYSA-N 295.367 3.615 30 20 CHED C[C@H]1CCN(Cc2cccc(C#N)c2F)CC1(C)C 546833377 QBARSUGNIOVXDH-LBPRGKRZSA-N 260.356 3.565 30 20 CHED CC(=NN1CCC(C(C)(C)C)CC1)C1CCOCC1 790180210 CCAWXFATVHFCAH-UHFFFAOYSA-N 266.429 3.547 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(C(C)(C)C)on1 797168930 IZMJYUNTXPNEGB-UHFFFAOYSA-N 265.353 3.618 30 20 CHED C[C@H]1C[C@@H](N[C@H](C)CC(C)(C)C#N)CN1Cc1ccccc1 829179374 LWLDLOVIEDPOGI-SOLBZPMBSA-N 299.462 3.567 30 20 CHED CCc1cc(C#N)ccc1OC(=O)/C=C/c1cnc(C)s1 799443815 AGCVOMIAINMJFU-FNORWQNLSA-N 298.367 3.504 30 20 CHED Cc1ccc(CNc2cccc(OCC#N)c2)c(F)c1 686492215 RKAIIYDAJWJYPY-UHFFFAOYSA-N 270.307 3.649 30 20 CHED COc1ccccc1CON=C(C)c1ccc(O)c(C)c1 799118466 HPPVBDURNNVNSV-UHFFFAOYSA-N 285.343 3.650 30 20 CHED N#Cc1cc2c(nc1NCc1ccsc1)CCCC2 63146665 NYTBSVAXHXLTLS-UHFFFAOYSA-N 269.373 3.506 30 20 CHED C#CCOc1ccccc1CNC(=O)[C@](C)(CC)CCC 793511109 BCUKKODGTIFPRM-GOSISDBHSA-N 287.403 3.531 30 20 CHED CC(C)[C@@H]1CCCC(=NNc2cncc(Cl)n2)C1 794492387 PDSUKDKEEYZLKY-SNVBAGLBSA-N 266.776 3.744 30 20 CHED Cc1cc(/C=C\C(=O)c2ccnc(F)c2)ccc1F 794719575 PAYXZQPQOZBCAP-HYXAFXHYSA-N 259.255 3.564 30 20 CHED Cc1cnc(CSCCCC2(C#N)CCOCC2)s1 798401402 PVFCHDXCYBKCEI-UHFFFAOYSA-N 296.461 3.785 30 20 CHED COc1ccc(CNN=Cc2ccc3occc3c2)cc1 794898176 YWBDLIMECXVDPJ-UHFFFAOYSA-N 280.327 3.565 30 20 CHED CCCNc1ccc(C#N)cc1NCCCOC(C)(C)C 795266448 KPELRKMUNIMVAW-UHFFFAOYSA-N 289.423 3.997 30 20 CHED C=CCCCCC[C@H](C)NCC1(C(=O)N(C)C)CCCC1 793542421 PYULKYCKJFMTSR-INIZCTEOSA-N 294.483 3.750 30 20 CHED C=CCCCCCOC(=O)Cc1c(C)nn(C(C)C)c1C 795882934 MDSPFKIZEWXILG-UHFFFAOYSA-N 292.423 3.913 30 20 CHED Oc1cccc(/C=N/[C@H]2C[C@H](c3cccc(F)c3)C2)c1O 797784804 JDFLQSDYNBLTEA-YUOFGGFNSA-N 285.318 3.602 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C/c2cnn(C)c2)c1 794724907 TYALPZKSCRIEFW-BQYQJAHWSA-N 268.360 3.515 30 20 CHED Cc1ccc(COC(=O)c2ccc(F)c(C#N)c2)c(C)c1 790963254 QOWRRVIJJQCZPE-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@@H]2C=CCCC2)c1 777640324 UCVFLAXZUOVHAO-MRXNPFEDSA-N 267.372 3.767 30 20 CHED CC[C@@H]1c2ccccc2CCN1CC1(CC#N)CC1 1167417918 ZZYOYHVSWOPXMP-MRXNPFEDSA-N 254.377 3.690 30 20 CHED C#CCCCCCc1nnc(-c2ccc(Cl)nc2)o1 1326940419 DVLPWUDUYAJHSX-UHFFFAOYSA-N 275.739 3.521 30 20 CHED C=CCOc1ccc(-c2nnc([C@@H](C)CC)o2)cc1OC 1326232351 MKEMXSQAXQYAKN-NSHDSACASA-N 288.347 3.824 30 20 CHED C=CCOc1ccc(Cc2nnc(C(C)(C)C)o2)cc1 1329314074 ZSXJNEALSCXCDH-UHFFFAOYSA-N 272.348 3.523 30 20 CHED COc1cccc(/C=C\c2cc(C#N)ccn2)c1OC(C)C 1256730368 QCQCJXCYTUYADF-FPLPWBNLSA-N 294.354 3.919 30 20 CHED Cc1ccc(CCCC(=O)N[C@@H](C#N)C2CCCC2)s1 1338216088 NGJLEHSEZNBBNX-HNNXBMFYSA-N 290.432 3.578 30 20 CHED C=C(C)CCC(=O)N(Cc1cccc(F)c1)C(C)C 1336945869 MJZSRHOEGQQWFG-UHFFFAOYSA-N 263.356 3.919 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccc(Cl)s1)CC2 1654032127 GKBYERANQSUBQK-UHFFFAOYSA-N 274.776 3.836 30 20 CHED C#CCN(CC1CC1)C(=O)c1oc2c(C)cccc2c1C 1253563761 WURYCCRDQZEGIY-UHFFFAOYSA-N 281.355 3.535 30 20 CHED COc1cc(/C=C2/CCc3c(O)cccc3C2=O)ccc1F 1253611242 DFSIIJBEHPMLLK-XFXZXTDPSA-N 298.313 3.752 30 20 CHED C=C(C)CCC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 1337688644 QITBDGTYGPUZQQ-MRXNPFEDSA-N 289.375 3.539 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1sc(C(C)(C)C)nc1C 1342734492 XVZKIXZGOXJDJI-JQWIXIFHSA-N 282.453 3.601 30 20 CHED C=C(CC)C(=O)Nc1cccc(N2CCCCC2)c1 1346306087 ITRJZYIVAJBQIU-UHFFFAOYSA-N 258.365 3.582 30 20 CHED CCCC[C@H](C(=O)[C@H](C#N)c1cccc(F)n1)C(C)C 1344697932 KLZLVCDUXOTOTI-QWHCGFSZSA-N 276.355 3.859 30 20 CHED CC1(C)CCC(C(=O)[C@@H](C#N)c2cccc(F)n2)CC1 1347125834 XPFYIQMEUWINJL-LBPRGKRZSA-N 274.339 3.613 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)Cc1cccc(Cl)c1 1340892580 LSVOFXKUABBWRE-SWLSCSKDSA-N 292.810 3.669 30 20 CHED CCN(CCNc1nc(C)ccc1C#N)c1ccccc1C 1458111365 DGQGACJNAARMTE-UHFFFAOYSA-N 294.402 3.509 30 20 CHED Cc1cccc(C)c1CNC(=O)[C@@H](CC#N)c1ccccc1 1526634460 QZSPSBYQILBTMJ-KRWDZBQOSA-N 292.382 3.617 30 20 CHED N#Cc1cnc(NCc2ccccc2C(F)(F)F)c(F)c1 1458148374 ZRMPPTAFBJDIAO-UHFFFAOYSA-N 295.239 3.723 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)CC1CCCCCC1 1535598009 YYRDIXGNPDSYFL-UHFFFAOYSA-N 282.387 3.808 30 20 CHED Cc1cc(NCc2ccccc2OCC(C)C)ncc1C#N 1472665982 TWNNKPJIYHDVJZ-UHFFFAOYSA-N 295.386 3.909 30 20 CHED CO[C@H](COc1ccc(C#N)cc1Cl)CC(C)C 1472963610 YHXCYOGTKUNAMB-LBPRGKRZSA-N 267.756 3.652 30 20 CHED Cc1cnc(SCC(=O)c2cccc(C#N)c2)c(C)c1 1473060261 WRDTZVWBKGRKEK-UHFFFAOYSA-N 282.368 3.545 30 20 CHED COc1ccc([C@@H](C)Sc2nc(C)cc(C#N)n2)cc1 1472671999 FOVXUYJNRJKDQJ-LLVKDONJSA-N 285.372 3.519 30 20 CHED C=CC[C@@H](C)NC(=O)N(CCC)Cc1ccccc1 116971832 RIPGIGRPQPBCFY-CQSZACIVSA-N 260.381 3.573 30 20 CHED C=C(Br)CN(CC)[C@@H]1CCCC[C@@H]1C 1617217010 PODMERSDNNCKMS-CMPLNLGQSA-N 260.219 3.796 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(F)c(Br)c1 119317449 LGRRFZFQVJXKOX-DTWKUNHWSA-N 272.161 3.813 30 20 CHED Cc1cc(NCCC2CCC(F)(F)CC2)ncc1C#N 1559299499 INSPTHVHMNFQKN-UHFFFAOYSA-N 279.334 3.889 30 20 CHED C[C@@H](NC(=O)c1ccccc1CC#N)c1ccc(Cl)cc1 1556941956 LPFRRUXPDTYMAD-GFCCVEGCSA-N 298.773 3.897 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2sccc2C#N)C1 1563023853 NYUBKYJZSFRYGM-YPMHNXCESA-N 291.420 3.956 30 20 CHED CC(C)(C)[C@@H]1CSCCN1Cc1ccc(C#N)s1 1648158603 OSEKQICUEOCMPD-ZDUSSCGKSA-N 280.462 3.583 30 20 CHED CC(C)[C@H](Cc1ccccc1)NCc1cc(C#N)cs1 1658599972 FJRQJNAHRWLISZ-KRWDZBQOSA-N 284.428 3.977 30 20 CHED N#Cc1cnc(NC[C@@H]2CCc3ccccc3C2)c(Cl)c1 1651692699 JDEUYYHQZNSNDO-GFCCVEGCSA-N 297.789 3.824 30 20 CHED CC[C@@H](NCc1ccc(F)c(C#N)c1)[C@@H]1CC1(C)C 1659060110 UDUPOSFPPCMKBG-DZGCQCFKSA-N 260.356 3.612 30 20 CHED C=CCN(C)C(=O)c1cc2c(s1)CCCCCC2 161658586 AMSTVXMHLHKGOY-UHFFFAOYSA-N 263.406 3.665 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H](C)c1ccsc1 158879434 SURFLRSKTFJGES-ZDUSSCGKSA-N 278.421 3.640 30 20 CHED N#Cc1c(Br)cccc1N[C@H]1CC=CCC1 164999603 CNCPBSAWYZBSTP-JTQLQIEISA-N 277.165 3.841 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CCOc2ccccc21 205865863 IELJIYBLCTVKOK-RAXLEYEMSA-N 295.294 3.644 30 20 CHED C#CCCCCNC(=O)N(C)[C@H](C)c1ccc(C)cc1 155109260 GSSTZLGHUTVBBZ-OAHLLOKOSA-N 272.392 3.501 30 20 CHED CCCCCCCCC(=O)NCCC1CCN(C)CC1 156393544 DCVSYVBLRVKCTM-UHFFFAOYSA-N 282.472 3.585 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCCC1(C)C 156988836 HQZJUGLHVODXSL-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)C(C)(C)C 125386202 YSCCXGSPDVTARR-SNVBAGLBSA-N 261.325 3.561 30 20 CHED C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)[C@@H](C)[C@@H]1C 1307146856 JWOFXPPJNSTMPH-UPJWGTAASA-N 271.408 3.731 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1ccc(CC#N)cc1 157065117 DUTAWOYUBRRIDP-ZDUSSCGKSA-N 268.335 3.935 30 20 CHED C#Cc1cccc(NCc2c[nH]nc2-c2cccs2)c1 37185231 UVPLVLFILOAOAR-UHFFFAOYSA-N 279.368 3.732 30 20 CHED C[C@H]1CCN(c2nc3ccccc3cc2C#N)C[C@@H]1C 161620787 CJBXRMWVHFKGRZ-STQMWFEESA-N 265.360 3.589 30 20 CHED CCCCCCCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 182188288 GXCGZAOZZOWZMY-AWEZNQCLSA-N 297.464 3.711 30 20 CHED CC(C)c1cccc(NCc2cc(C#N)n(C)c2)c1 189578722 DTIBPRFODSSWSI-UHFFFAOYSA-N 253.349 3.632 30 20 CHED CCN(CC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 193758786 UNBVLRXQDHOFLW-SNVBAGLBSA-N 256.271 3.503 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc(Cl)c2)c1 308192039 KDEUIOAVQXRAKT-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC(C)O[C@H]1CCCN(CCCCC(C)(C)C#N)C1 404688557 HPYVQIWKONMDNK-HNNXBMFYSA-N 266.429 3.596 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(C3CC3)cc2)cc1 611307440 DQVFMGZSMTZAGI-UHFFFAOYSA-N 262.312 3.688 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccc(Br)cc1 351611320 ZLSDIHOONZEVJW-NSHDSACASA-N 281.197 3.573 30 20 CHED CCC[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)OC 378800263 UKGSEUPDCQOOLF-GFCCVEGCSA-N 286.297 3.804 30 20 CHED N#Cc1ccc(N2[C@H]3CCC[C@H]2CC3)c(Br)c1 380819398 WZOFSKISZRAHGN-RYUDHWBXSA-N 291.192 3.842 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1cccc(C#N)c1F 384013930 YJZOJKFUNXWANE-CYBMUJFWSA-N 268.335 3.890 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2[nH]c(C)c(C)c2c1 393812613 NTZIOZOHNOWPDG-CQSZACIVSA-N 270.376 3.869 30 20 CHED CCCCCCCC(=O)NCc1cc(C)cc(N)c1 398757560 ZWYOYXVHYAUKAK-UHFFFAOYSA-N 262.397 3.554 30 20 CHED CN(CCC1CCCCC1)C(=O)NCc1cccc(C#N)c1 101607754 DZZLPMFCEBHWGQ-UHFFFAOYSA-N 299.418 3.670 30 20 CHED CC1(C)C[C@@H](CNc2ccc(C#N)c(Cl)c2)CCO1 413340898 SJSXCXMIJKSTQF-NSHDSACASA-N 278.783 3.829 30 20 CHED Cc1nc(NC(C2CC2)C2CC2)c(Cl)cc1C#N 310760604 ATULQFSHRQNLFM-UHFFFAOYSA-N 261.756 3.516 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1ccc(O)c(Cl)c1 119262168 KQTAIIJTVRQVHL-HWKANZROSA-N 294.137 3.990 30 20 CHED C=CCCCC(=O)NCc1ccc(CN(CC)CC)cc1 175134303 KMLBITASDPVCBK-UHFFFAOYSA-N 288.435 3.501 30 20 CHED C[C@@H](CCc1cccc(F)c1)C(=O)OCC1(CC#N)CC1 174743659 ZGBJXTXGZZVZFC-ZDUSSCGKSA-N 289.350 3.631 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cccc(C)c2C)o1 172044704 HOIDMZBIBNEMOY-VQHVLOKHSA-N 284.311 3.579 30 20 CHED C=C(C)CNCc1c(C)nn(Cc2ccccc2)c1Cl 119641905 KPCQNUGFSCRHQH-UHFFFAOYSA-N 289.810 3.559 30 20 CHED C[C@H](CNCC(C)(C)CCC#N)Cc1cccs1 174534205 QXSODEKBWRHMLY-ZDUSSCGKSA-N 264.438 3.846 30 20 CHED N#Cc1ccc(N2CCC[C@H](c3ccccc3)CC2)nc1 66818517 CXYXUWNKVPOOMB-KRWDZBQOSA-N 277.371 3.727 30 20 CHED C=CCn1c(SCC(F)F)nnc1-c1ccccc1F 112770630 DZLPNAUAONENKL-UHFFFAOYSA-N 299.321 3.627 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC(C)(C)C1 179273569 YCEFFDZFROXMSY-MRXNPFEDSA-N 284.403 3.733 30 20 CHED C=CC1CCN(C(=O)c2cccc3c(C)c(C)[nH]c23)CC1 110967953 UIQUOMYZJZQIBV-UHFFFAOYSA-N 282.387 3.823 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@@H]1C=CCCC1 111190879 QTCMKFSINKFPKO-QGZVFWFLSA-N 254.377 3.879 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)C2(C)CCCC2)cc1C 69579259 RGBHAAHIFLTUFX-UHFFFAOYSA-N 295.404 3.529 30 20 CHED CC(C)c1nc(CCNc2cccc(F)c2C#N)cs1 301200495 WHAZTCJZLLOCKB-UHFFFAOYSA-N 289.379 3.932 30 20 CHED Cc1cc(=O)oc2cc(NCc3cccc(C#N)c3)ccc12 176518225 WLHXATCZKXTJSL-UHFFFAOYSA-N 290.322 3.585 30 20 CHED CCS[C@@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)C(C)C 175810076 LIOOUKSJSWUFAA-IUODEOHRSA-N 291.416 3.940 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 173194231 JVNHVFOBGAFONM-HNNXBMFYSA-N 297.402 3.633 30 20 CHED CCC(CC)(CCO)CN[C@H](C)c1ccc(C#N)c(F)c1 305811859 JHXSFNGYLPORMQ-CYBMUJFWSA-N 292.398 3.537 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(OCC)c2)CC1 111730885 GOTYPKXMKBEUSQ-UHFFFAOYSA-N 274.364 3.515 30 20 CHED N#Cc1cccc(C#N)c1N1CCC[C@H]1c1ccsc1 302845054 NQBPYZLASVNQBW-HNNXBMFYSA-N 279.368 3.833 30 20 CHED CCc1cccc(N/C(N)=N/Cc2ccccc2CC)c1 304747384 GIYCZAPGGKLOLF-UHFFFAOYSA-N 281.403 3.738 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)NC[C@H](C)C#N)cc1 172351063 STOPUPSYPVYYFK-ZIAGYGMSSA-N 272.392 3.579 30 20 CHED COc1cccc(NCC2(CC#N)CC2)c1Br 1327018848 UQLVHVFDEXNNBK-UHFFFAOYSA-N 295.180 3.563 30 20 CHED Cc1ccc(N/C(N)=N/Cc2ccc(F)c(C)c2)cc1C 303771200 CMTJLBWKRWBRTK-UHFFFAOYSA-N 285.366 3.678 30 20 CHED CCC1(C(=O)[C@H](C#N)c2nc3ccccc3o2)CCC1 176101524 BQUQBLVMFYGMFS-NSHDSACASA-N 268.316 3.584 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1snc(Cl)c1C#N 301291796 UETVWUAEWXANJD-KHQFGBGNSA-N 269.801 3.905 30 20 CHED COc1ccccc1C[C@@H](NCCCCC#N)C(C)C 178649293 CSAANLDSQGKPSZ-MRXNPFEDSA-N 274.408 3.546 30 20 CHED N#CC1(NC(=O)c2ccc(-c3ccccc3)[nH]2)CCCCC1 171770274 JMRBCBVMTMWOSJ-UHFFFAOYSA-N 293.370 3.638 30 20 CHED CC(C)(C)OC1CC(CCNCc2ccc(C#N)s2)C1 432241987 VBIXCBRALOFBOK-UHFFFAOYSA-N 292.448 3.693 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(C#N)c1C 178814248 XJVRHGXHDZJNBH-KGLIPLIRSA-N 296.395 3.979 30 20 CHED CC(C)COc1ccccc1CNc1cccc(C#N)n1 301290976 UIIQYOKJILOGTR-UHFFFAOYSA-N 281.359 3.600 30 20 CHED Cc1cccc([C@H](C)Nc2ccc(C#N)cn2)c1C 301266917 GTZYVVIGKDCHFZ-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED CCOc1ccc(CNc2cccc(OCC#N)c2)cc1 37069484 MZZQXUKLDSCKIU-UHFFFAOYSA-N 282.343 3.600 30 20 CHED N#CC1(C(=O)Nc2cccc(Oc3ccncc3)c2)CCC1 121081700 XBPJSMOQKFEPHS-UHFFFAOYSA-N 293.326 3.506 30 20 CHED Cc1ccccc1[C@@H]1CN(c2ccc(F)cc2C#N)CCO1 301428959 PTMKGWWIJCPVEO-SFHVURJKSA-N 296.345 3.584 30 20 CHED CCc1ccccc1CNc1c(C#N)cccc1C#N 302904777 VGQGCUSQDJXPQS-UHFFFAOYSA-N 261.328 3.604 30 20 CHED C=CCOc1cccc(NC(=O)CCc2ccc(O)cc2)c1 183588328 SKCBTVHQAYYQCD-UHFFFAOYSA-N 297.354 3.528 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(C(F)(F)F)n2)CC1 123619729 LKQHZEFAXNFGSJ-UHFFFAOYSA-N 299.296 3.530 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1SC 120110414 JWHDJIDAPKNSAC-ZDUSSCGKSA-N 292.448 3.634 30 20 CHED Cc1onc(-c2ccccc2)c1C(=O)OCC1(C#N)CCC1 183880069 FYKMCIIFVDHYDA-UHFFFAOYSA-N 296.326 3.501 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(C)nc1)c1ccccc1 188722173 AOXIZEPUSDHDBQ-INIZCTEOSA-N 266.344 3.688 30 20 CHED C[C@H](NC[C@@H](C)Oc1ccccc1F)c1cccc(C#N)c1 181829234 JAJOUXULVFSIIW-KGLIPLIRSA-N 298.361 3.815 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC1CCC(F)(F)CC1 508972769 ZWTYZCDWMHQFLT-ZDUSSCGKSA-N 286.366 3.562 30 20 CHED CC[C@H]1CC[C@@H](C)N1Cc1cn2ccccc2c1C#N 357525664 FIXKRTPDRPEDQI-HIFRSBDPSA-N 267.376 3.574 30 20 CHED N#Cc1cccnc1NCc1cc2ccccc2s1 357950844 WGDQFRKARVDGBZ-UHFFFAOYSA-N 265.341 3.780 30 20 CHED COc1ccc(CNc2ccc(N(C)C)cc2C)cc1C#N 124948252 XKCJPWITMACPDZ-UHFFFAOYSA-N 295.386 3.553 30 20 CHED C#CCCCCC(=O)N[C@H](C)CSc1ccc(C)cc1 185221433 ILNRGRZYBUOYBK-OAHLLOKOSA-N 289.444 3.785 30 20 CHED C[C@@H](CCC#N)Sc1nncn1-c1cccc(Cl)c1 188252635 UJLOGWMLERIDGX-JTQLQIEISA-N 292.795 3.705 30 20 CHED C=C(C)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 75527854 MXBZSHUPUHKOJW-UHFFFAOYSA-N 294.276 3.505 30 20 CHED C=CCCCNC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 503362412 QHUUFXKLCUKKKO-KGLIPLIRSA-N 266.429 3.809 30 20 CHED CN(Cc1ccccc1)C(=O)N(CCC#N)CC(C)(C)C 185840147 BJWDJBPQLZYRAK-UHFFFAOYSA-N 287.407 3.500 30 20 CHED O=C(/C=C/c1cncs1)c1cccc(Br)c1 129875358 WBOVADKSQLGUFZ-SNAWJCMRSA-N 294.173 3.802 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 79828176 IHECHOXYIXODOV-SNVBAGLBSA-N 269.175 3.729 30 20 CHED Cc1cc(C#N)ccc1CN[C@H]1CCCO[C@H]1CC(C)C 186338193 GJRYMCUQQZSSSZ-ROUUACIJSA-N 286.419 3.550 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)Cc1cccc(F)c1 410126580 BLVVNNMHVBVDLJ-CJNGLKHVSA-N 277.383 3.865 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1cc(C)nn1C 417689997 ZXZLFQCKAADAJS-UHFFFAOYSA-N 295.839 3.632 30 20 CHED CC(C)(C)c1csc(NC(=O)Cc2ccco2)c1C#N 410925347 GLMQPRMGCKYKJT-UHFFFAOYSA-N 288.372 3.691 30 20 CHED C=C(Cl)CSc1ccc(OCCOC)cc1 185055464 GGBXDSUAWKZUIA-UHFFFAOYSA-N 258.770 3.556 30 20 CHED Cc1nc(C(C)(C)NCCC(C)(C)C#N)sc1C 131913903 OPSATDFQOTXHFI-UHFFFAOYSA-N 265.426 3.525 30 20 CHED C=CC[C@H](C(=O)N(CCC)CC(F)F)c1ccccc1 187308586 NWJJHBSVQYJGLQ-AWEZNQCLSA-N 281.346 3.850 30 20 CHED CC(C)(C)CN(CC(C)(C)C)C(=O)NCCCCC#N 183613962 CUGWDGAUYGNGFR-UHFFFAOYSA-N 281.444 3.784 30 20 CHED CC(C)CCN(C(=O)Nc1ccc(F)cc1C#N)C1CC1 133689307 HUCPJWSRYACGAA-UHFFFAOYSA-N 289.354 3.740 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 410588543 JSIXMMCOJUQNDL-VXGBXAGGSA-N 276.767 3.976 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ccc(F)c(F)c1 181429895 IGOYUVFFRNQJKG-LBPRGKRZSA-N 296.361 3.851 30 20 CHED N#CN(CCC1(C#N)CCCCC1)c1ccccc1F 418983312 JYXYMWVRXJVLIE-UHFFFAOYSA-N 271.339 3.977 30 20 CHED Cc1ccsc1[C@@H](C)NCc1cccc(C#N)c1 70091576 FQDOGYUMFDTFMC-GFCCVEGCSA-N 256.374 3.779 30 20 CHED Cn1cc(CN[C@H](CC2CCC2)c2ccccc2)cc1C#N 191569188 BQXFYWYYMPUGFA-LJQANCHMSA-N 293.414 3.918 30 20 CHED N#Cc1ccc(C2=CCN(CC3CCCC3)CC2)cc1 502510009 YKLOQKOWAPKOJZ-UHFFFAOYSA-N 266.388 3.838 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C=CCC1 500303894 CPAAXYGOSFPBRS-INIZCTEOSA-N 296.414 3.899 30 20 CHED C=CCNC(=O)[C@@H](C)SC/C=C/c1ccc(Cl)cc1 190104823 DZVLCTBWHASXOS-ZYOFXKKJSA-N 295.835 3.777 30 20 CHED CCCCCCCC[S@@](=O)Cc1cc(C)no1 190733775 JNVLXBBNCPGMBY-QGZVFWFLSA-N 257.399 3.592 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccccc2C(F)(F)F)C1 612164130 ZYASFULKYAALPF-AWEZNQCLSA-N 282.309 3.831 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/[C@@H]2CCO[C@H](C(C)(C)C)C2)CCC1=O 328993239 VTZCYFGISPKJEK-BHPKHCPMSA-N 295.423 3.542 30 20 CHED C[C@H](NCC1(O)CCC(C)(C)CC1)c1ccc(C#N)cc1 87046329 ZYQKCURCGOTGLQ-AWEZNQCLSA-N 286.419 3.540 30 20 CHED CCc1nnsc1/C(O)=N/C[C@@H]1C[C@H]1C1CCCCC1 329343901 QJCSYUBUSHRDDU-RYUDHWBXSA-N 293.436 3.622 30 20 CHED CC1(C)SC[C@H]1/N=C(/O)Nc1nc(C2CCC2)cs1 328758737 WDWWJBKDAUUXOX-SNVBAGLBSA-N 297.449 3.631 30 20 CHED CCCCCCC[S@@](=O)Cc1cccc(OC)c1 132892652 XDVVNKSWNBXOBT-SFHVURJKSA-N 268.422 3.914 30 20 CHED C=CCCCCCN(C)C(=O)c1nc2cccnc2s1 193956163 UNKOGXLISIIUCO-UHFFFAOYSA-N 289.404 3.510 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ncc(CCC)s1 424779805 GKWSJKVSVVGASE-UHFFFAOYSA-N 252.383 3.636 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ocnc1C1CC1 329333529 NLVXFMXOWQCIRM-CYZMBNFOSA-N 274.364 3.825 30 20 CHED C=CCC1(C(=O)OCc2nc(C)c(C)s2)CCC1 192115723 SCMAQZCWFFGJJG-UHFFFAOYSA-N 265.378 3.550 30 20 CHED CC(C)(C)c1nc(CSc2ccc(C#N)cc2)no1 48512207 YXVYUHUJDIMESL-UHFFFAOYSA-N 273.361 3.531 30 20 CHED Cc1ccc(C/N=C(/O)c2cc(C(C)(C)C)on2)s1 330878131 LIIDBJAELQNUJU-UHFFFAOYSA-N 278.377 3.847 30 20 CHED CCN(CC)CCCN(Cc1ccc(C#N)cc1)C(C)C 338234004 KRVVDFWFAYNKTM-UHFFFAOYSA-N 287.451 3.501 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nc(C(C)(C)C)cs1 339085806 LTOMSEVFGAPRHU-SDDRHHMPSA-N 277.437 3.783 30 20 CHED CCC(=O)c1ccc(Oc2nccc(C#N)c2Cl)cc1 429340462 IXDCISOZDJZNAM-UHFFFAOYSA-N 286.718 3.992 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H](c2ccccc2)CC1 336043906 UIHYARTXOIHYDZ-MRXNPFEDSA-N 284.403 3.723 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1=CCCCCC1 335094557 QQFSVDHHMIGWFZ-CQSZACIVSA-N 282.387 3.968 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCSc2ccccc21 337779018 ZUSNUIMZZLXJSG-UHFFFAOYSA-N 294.379 3.619 30 20 CHED C[C@H]1C[C@@H](C)CN1Cc1ccc(Br)cc1C#N 383384060 HDLSAUGYJXXGSE-MNOVXSKESA-N 293.208 3.551 30 20 CHED CN(Cc1cccc(F)c1C#N)[C@H]1CCc2ccccc2C1 428240350 BIUAWIQVTSVUQJ-KRWDZBQOSA-N 294.373 3.687 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(-c2ccco2)cc1F 335270781 GFJBRGVSCHPDOE-QFYYESIMSA-N 284.290 3.574 30 20 CHED C=CCCCCCN1CCC[C@@H](C(C)(C)C(=O)O)C1 232527626 ZZNKPVOLWDDMBN-CQSZACIVSA-N 267.413 3.556 30 20 CHED CC[C@H]1CC(=O)c2c(nc3ccc(C#N)cc3c2C)C1 519528386 HPHBBVCQMXETHU-LLVKDONJSA-N 264.328 3.570 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 431749913 MJRSOAHJYHFLRE-OFQRWUPVSA-N 297.402 3.957 30 20 CHED C[C@H]1SCCN(CCCCC(C)(C)C#N)[C@@H]1C 235622353 ZHCHUIORZLBLQB-CHWSQXEVSA-N 254.443 3.532 30 20 CHED CCN(C(=O)C1=CCCC1)c1ccc(C#N)c(Cl)c1 91206396 XCIDMJCUHLCUCI-UHFFFAOYSA-N 274.751 3.675 30 20 CHED Cc1csc(C(=O)Nc2sc(C)c(C)c2C#N)c1 344560037 MTJSYSHJZVUHFE-UHFFFAOYSA-N 276.386 3.859 30 20 CHED C=CCCN(C)C(=O)c1cc(C2CC2)nc2ccccc12 344258254 ALLNWTQHRIWWDC-UHFFFAOYSA-N 280.371 3.760 30 20 CHED Cc1ccnc(N[C@H]2CCCOc3cc(F)ccc32)c1C#N 343569039 IKKRHJMJQGXMQM-HNNXBMFYSA-N 297.333 3.727 30 20 CHED C=CCOc1ccc(CN(C)C(C)(C)CC)cc1OC 527241080 GAXLJWCIYSGLIY-UHFFFAOYSA-N 277.408 3.880 30 20 CHED C=C[C@H]1CCCCN1Cc1ncc(Br)cc1F 529553154 FMUIYTXLTCZNOI-NSHDSACASA-N 299.187 3.524 30 20 CHED Cn1cccc1[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 437642060 SSHZYKKUUBNXMB-SFHVURJKSA-N 298.817 3.867 30 20 CHED CCOC(=O)C[C@H](C)C/N=C\c1c(O)ccc2ccccc12 255161826 SCGYEPZNEAVGOD-QXGSTRBFSA-N 299.370 3.554 30 20 CHED C=CCOCCCN[C@H](C)c1cccc(N2CCCC2)c1 348022392 AIMVNKABWLLKSN-MRXNPFEDSA-N 288.435 3.530 30 20 CHED FC(F)(F)c1ccc(NN=Cc2cccnc2)cc1 254555605 AJAJKJWBEKGHAD-UHFFFAOYSA-N 265.238 3.546 30 20 CHED C[C@H](CCC#N)CNC[C@@H]1CCCc2ccccc21 602512880 VWASCCZVWUEFNN-ZBFHGGJFSA-N 256.393 3.636 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(Cl)c1 602486133 CCQXHFHXVGRPMS-LBPRGKRZSA-N 278.783 3.851 30 20 CHED C[C@H](CCC#N)CNCC1(Cc2ccccc2)CC1 602581108 HFPWWZUOKGHIRB-OAHLLOKOSA-N 256.393 3.539 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@H]2CC[C@H](C#N)C2)cc1 442776863 HTBXYPWUOLYUAS-NQYYFHDYSA-N 298.430 3.745 30 20 CHED CCC[C@@H](C)NCc1ccc(OC)c(OCCCC#N)c1 604512441 PERQQGRFUHRLEY-CQSZACIVSA-N 290.407 3.656 30 20 CHED N#Cc1cccc(N=Cc2cc(Cl)ccc2O)c1 255833871 DHMWWHFJSYAUIJ-UHFFFAOYSA-N 256.692 3.668 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccnc2Cl)s1 255125436 PQBYGNGYEJTMGP-HYXAFXHYSA-N 274.732 3.564 30 20 CHED C=C(CNC(=O)N[C@H](CC)c1ccncc1)c1ccccc1 353709882 MCIPHIXMAVNFGY-QGZVFWFLSA-N 295.386 3.545 30 20 CHED COc1cccc(C2(CN[C@@H]3CC[C@H](C#N)C3)CCCC2)c1 442793757 OUCRZJAQVVQCHM-DOTOQJQBSA-N 298.430 3.789 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1cnn(C(C)C)c1 537186065 FWORBBJWVYGSPG-KBPBESRZSA-N 292.427 3.569 30 20 CHED COc1ccc(C#N)cc1NCc1cccc2cc[nH]c12 354849973 KPKRTVDWOGNEBM-UHFFFAOYSA-N 277.327 3.660 30 20 CHED CCc1cnc(CNc2cc(C#N)ccc2OC(C)C)o1 532114791 OILBSKHDMCPBFP-UHFFFAOYSA-N 285.347 3.508 30 20 CHED C[C@@H](CCC#N)CN1Cc2ccccc2C(F)(F)C1 602488798 VQJGCFLLWLALRM-LBPRGKRZSA-N 264.319 3.534 30 20 CHED C=CCN(C(=O)NCCCC1CCCCC1)C1CC1 536745837 MIQYBDSAHZLZRT-UHFFFAOYSA-N 264.413 3.707 30 20 CHED CCOC(=O)C[C@@H](C)S[C@H](C)c1cccc(C#N)c1 442912640 KPPYTJQHBHBPBX-VXGBXAGGSA-N 277.389 3.694 30 20 CHED N#Cc1c(NC(=O)[C@H]2CC23CCCC3)sc2c1CCC2 530856942 PNJKFKHNOPIDEH-GFCCVEGCSA-N 286.400 3.627 30 20 CHED CC(C)(C#N)CNc1ncnc2oc(-c3ccccc3)cc12 352197679 CBYWEVDANUKIDD-UHFFFAOYSA-N 292.342 3.851 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)o1 613255190 XNHKVDZPENSBBB-BHPKHCPMSA-N 258.365 3.575 30 20 CHED C=CC[C@H](C)[C@H](C)NCCc1nc2c(C)cccc2o1 268903693 GIUGZMGPWAECHM-JSGCOSHPSA-N 272.392 3.869 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](C)C1 444133687 FTOTVSAXPYFTEZ-YOEHRIQHSA-N 299.418 3.667 30 20 CHED CC(C)n1nccc1/C=C\c1nc2ccccc2n1CC#N 352021872 SLWGFMKYZLBVCC-FPLPWBNLSA-N 291.358 3.508 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1F 353657900 VEHRYDQGSXEYMO-CYBMUJFWSA-N 280.346 3.644 30 20 CHED C=CCC[C@@H](NCc1ccc(CO)o1)c1ccccc1 269330527 BOJGARNVZFKYHX-QGZVFWFLSA-N 271.360 3.569 30 20 CHED C[C@H](Cc1ccncc1)N[C@H]1CCCc2cc(C#N)ccc21 611393799 MBZAHBCBDVQUAP-KUHUBIRLSA-N 291.398 3.551 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(-c2ccsc2)no1 359916489 IAWFFRZWRHRKCJ-SNVBAGLBSA-N 281.340 3.822 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 619161050 GXZAWTJMKJBPDG-JGGQBBKZSA-N 277.795 3.914 30 20 CHED COc1cccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 618802223 DAGSMUXVLKNOEL-DJJJIMSYSA-N 292.382 3.905 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(CC)(CC)C1 539388887 QVQRZIBQLSVVLV-AWEZNQCLSA-N 266.429 3.953 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1=CC[C@@H](C)CC1 455988431 DVTYRZKGGBQWCV-CQSZACIVSA-N 273.376 3.583 30 20 CHED Cc1cccc(-c2nnc(SCC3(C#N)CCC3)n2C)c1 450687310 DVRJIQNTHXSSLY-UHFFFAOYSA-N 298.415 3.577 30 20 CHED C=CCC1(NC(=O)[C@H](C)Oc2ccccc2F)CCCC1 619114953 RNTZKYONMQQJBB-ZDUSSCGKSA-N 291.366 3.598 30 20 CHED Cn1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)cc1C#N 361605183 XIZHKPPIAAYKTL-QZEKMECESA-N 291.398 3.575 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCC[C@H]1CCOC1 453364181 LROOFXWKDIZTOB-HNAYVOBHSA-N 298.430 3.732 30 20 CHED C=CCCCCNC(=O)c1nc2ccccc2nc1C1CC1 450956151 DWJQGYMQRDGPEI-UHFFFAOYSA-N 295.386 3.593 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(F)c(C2CC2)c1 455387131 PQBUFDFIYPSOFL-UHFFFAOYSA-N 287.338 3.637 30 20 CHED CCC[C@@H](NC(=O)NCC(C)(C)CCC#N)C1CCCC1 458757774 FFBSOEUYXJKHEN-OAHLLOKOSA-N 293.455 3.974 30 20 CHED FC(F)(F)c1ccc(C#CCN[C@H]2CCC[C@@H]3C[C@H]23)cc1 459779225 MHLAIAOGLLRLQX-KBMXLJTQSA-N 293.332 3.835 30 20 CHED C=CCC1(CNC(=O)c2cc(COC)cs2)CCCC1 615973906 XTEKSLZYNBQVPX-UHFFFAOYSA-N 293.432 3.761 30 20 CHED C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)CC[C@H]1C 541658980 UHSOIYOPZVUNPK-SUNKGSAMSA-N 290.794 3.766 30 20 CHED N#Cc1cccc(C(=O)Nc2nc(C3CCC3)cs2)c1 277716071 NYTLDJVACLCYHD-UHFFFAOYSA-N 283.356 3.535 30 20 CHED CC(C)(C#N)CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 611688524 UXWFGMYIJQOVNB-DLBZAZTESA-N 292.382 3.609 30 20 CHED C=C(C)CCNC(=O)N(CC)Cc1ccccc1Cl 455316209 VMRMVWSHPSEMMZ-UHFFFAOYSA-N 280.799 3.838 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC1CC(C)(F)C1 458907757 TTWXJKKZDWTUQP-UHFFFAOYSA-N 282.403 3.655 30 20 CHED Cc1ccccc1Cc1noc(C2(C#N)CCCCC2)n1 273690461 IQNVBAHMAPNOIL-UHFFFAOYSA-N 281.359 3.694 30 20 CHED C=CCC[C@@H](C(=O)NCc1cccnc1C)c1ccccc1 628899520 WGGHXRONZDABKI-GOSISDBHSA-N 294.398 3.756 30 20 CHED Cc1cc(C)c2cccc(OC[C@@H](C#N)CCC#N)c2n1 276722132 BOGKAEGYRQGRLF-CQSZACIVSA-N 279.343 3.674 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)CC1(C#N)CC1 540549406 MRYALDVKQKUJBU-INIZCTEOSA-N 256.393 3.552 30 20 CHED C=CCCCC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273272910 JTDAFDOXPVUOKG-JKSUJKDBSA-N 291.366 3.518 30 20 CHED N#Cc1cc(N[C@@H]2CSc3ccccc32)ccc1[N+](=O)[O-] 361702823 UAKXMQVENLZEQK-CYBMUJFWSA-N 297.339 3.725 30 20 CHED CC#CCN(C)C(=O)N[C@@H](C)c1cccc2ccccc12 457479040 CJEPUUNRPKJAKV-AWEZNQCLSA-N 280.371 3.566 30 20 CHED COC1(C)CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 274250053 WXQYNSXEUVSEOD-UHFFFAOYSA-N 298.308 3.582 30 20 CHED C=CCC1(C(=O)NC[C@@H]2COc3ccccc32)CCCCC1 451809813 MRQGIKOHQFVHQP-OAHLLOKOSA-N 299.414 3.805 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(C)c(Cl)c1Cl 450624435 OVEJCHULEGASFQ-SECBINFHSA-N 285.174 3.724 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCC(C)(C)C1 542871049 RKVRSIUWSVEQOA-CQSZACIVSA-N 275.392 3.663 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 271666127 FNAHCDLZSLYYQU-QWHCGFSZSA-N 272.392 3.577 30 20 CHED C#CCCCCC(=O)Nc1nc(C2CCC2)cs1 277794529 VNYDTSMZRKRDOO-UHFFFAOYSA-N 262.378 3.543 30 20 CHED COc1c(O)cccc1CN[C@@H](CCC#N)c1ccccc1 272419223 LPMBXKKNFHCXOW-INIZCTEOSA-N 296.370 3.535 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1ccc(CC)cc1 466324986 ISDSBMSYFLNTMT-INIZCTEOSA-N 274.408 3.745 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccccc1-c1ccccc1 468901831 JTXJZBTVKDNHAU-SFHVURJKSA-N 281.355 3.619 30 20 CHED N#CC1(c2nc(C3Cc4ccccc4C3)no2)CCCCC1 547082250 BHZYTBJJSAPDKQ-UHFFFAOYSA-N 293.370 3.677 30 20 CHED C=CCN(C(=O)C[C@@H]1CCC[C@H](OC)C1)c1ccccc1 280605024 VMJHURGTBXMFTI-WBVHZDCISA-N 287.403 3.801 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 466401284 HXINPPNCCFEOOL-PKOBYXMFSA-N 298.430 3.979 30 20 CHED C[C@H](C(=O)NCCCCC(C)(C)C)c1cccc(C#N)c1 462034428 DFCZTPAEEUZVOY-AWEZNQCLSA-N 286.419 3.994 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2ccc(C#N)cc2F)C1(C)C 463477440 XJAWHUTWJUZNBZ-LSDHHAIUSA-N 276.355 3.701 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC=C(C)C1 460802779 CTOBUKXWAYVGBB-CQSZACIVSA-N 274.412 3.524 30 20 CHED C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2C(C)(C)C1 467965236 YASHKTHFSDCUHM-SFHVURJKSA-N 271.404 3.909 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccc2C)cs1 285562175 VLODCDNKAKURNP-INIZCTEOSA-N 299.399 3.997 30 20 CHED C=CCCCCCCCCNC(=O)Cc1cc(C)on1 288782291 ACVOTJAMCKAJEA-UHFFFAOYSA-N 278.396 3.558 30 20 CHED CCC1(CC)CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462204677 ARDSKLCECGYORX-AWEZNQCLSA-N 284.403 3.700 30 20 CHED C=C1CCN(Cc2ccc(C)cc2-c2cnn(C)c2)CC1 282778631 KLHOWHFDYDHLSV-UHFFFAOYSA-N 281.403 3.548 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(OCCC)cc1OCCC 469586347 DPMMMXCTVYCMJC-CYBMUJFWSA-N 291.391 3.569 30 20 CHED CC#CCCCC(=O)Nc1cc(-c2ccnn2C)ccc1C 281044756 JMMHIJIIZZJWAB-UHFFFAOYSA-N 295.386 3.528 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](c1ccccc1)C(C)C 466546316 WGMUFKIBLQSAOW-HOTGVXAUSA-N 259.393 3.897 30 20 CHED C=CCCN(C)C(=O)C1(c2cccs2)CCCCC1 468184019 SIBJTYCAKAIYRV-UHFFFAOYSA-N 277.433 3.985 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)CCSCC 466376480 IWWSMGPWYRWVDE-OLZOCXBDSA-N 272.458 3.514 30 20 CHED CCCCCCCCNC(=O)c1ocnc1C1CC1 288826654 USFITOFLWDCNFW-UHFFFAOYSA-N 264.369 3.642 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1ncc(C#N)cc1C 551705178 QZNHSLOQEIECAV-UHFFFAOYSA-N 287.407 3.549 30 20 CHED C[C@H](C#N)C(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl 472174386 RROXAJQATLEMRS-SECBINFHSA-N 299.201 3.590 30 20 CHED COc1cccc2c1CCCN2Cc1ccc(C#N)cc1F 552085259 WRCLZRYJGRHVSQ-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1F 804423814 ZKRVKWFBLYCEQT-IAQYHMDHSA-N 291.753 3.626 30 20 CHED CCCC[C@H](C)[C@@H](C)NCc1ccc(OCC#N)cc1 808705638 MYMORDUGSOKENF-LSDHHAIUSA-N 274.408 3.893 30 20 CHED C#C[C@@H](CC)NCc1c(OC(F)F)ccc2ccccc12 809685607 DVRRWWAJTFQEAO-ZDUSSCGKSA-N 289.325 3.943 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(OC(F)F)cc1 292144202 FIFBKXBSKTYWIH-UHFFFAOYSA-N 297.345 3.849 30 20 CHED C=CCCC(=O)N1CCC(c2ccc(F)cc2C)CC1 292195064 AIOGCOBCTCCAIT-UHFFFAOYSA-N 275.367 3.806 30 20 CHED C=CCN(C(=O)c1ccnc(SC)c1)c1ccccc1 647741902 ORGKKUSMLMNAQI-UHFFFAOYSA-N 284.384 3.636 30 20 CHED N#C[C@]1(C(=O)N(Cc2ccccc2)C2CC2)CC12CCCC2 297689756 MAZSCNGWFHBPQA-IBGZPJMESA-N 294.398 3.652 30 20 CHED C#CCO[C@H](C)c1nc(-c2ccc(C(C)(F)F)cc2)no1 296393748 KABANPULUAAPMH-SNVBAGLBSA-N 292.285 3.559 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ncc(C(C)(C)C)o1 293805815 PZWIIVZFUIZWFA-UHFFFAOYSA-N 292.423 3.623 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@](C)(CC)C1 474083351 PAJKSLCHZAHDEZ-OAHLLOKOSA-N 252.402 3.564 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(Br)cc1F 298467467 IKVSHKPYEGKYNH-UWVGGRQHSA-N 299.187 3.931 30 20 CHED CCC(CC)N(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC1 569688235 ZMCYNAKKDQRRJZ-ZWKOTPCHSA-N 296.414 3.841 30 20 CHED N#Cc1cccc(NN=C2CCC[C@H]2CCCF)c1 800810582 VZRCWJCIAYOWOG-ZDUSSCGKSA-N 259.328 3.876 30 20 CHED C=CC[C@@H](C)NCc1cc2cc(Cl)cnc2o1 648454036 MGZRUWCDMKKJHG-SECBINFHSA-N 250.729 3.535 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@H](C#N)c1ccc(CC)cc1 809257097 AOJUBHHPLFBXQO-CJTWTEFWSA-N 270.376 3.676 30 20 CHED C=CCCC1(C(=O)NC[C@@H](C)c2ccc(C)cc2)CC1 476101025 FYNXNDXYALBZMP-OAHLLOKOSA-N 271.404 3.961 30 20 CHED N#C[C@H](C(=O)c1cccc(F)c1)c1nc(C2CC2)cs1 647371698 WWKJJOBOOUJQMM-GFCCVEGCSA-N 286.331 3.650 30 20 CHED CSc1ccc(CN(CCC#N)C(C)C)s1 564527248 BQQCTXRDZNKRNT-UHFFFAOYSA-N 254.424 3.594 30 20 CHED N#C[C@]1(C(=O)Oc2ccc3cccnc3c2)CC12CCCC2 298600273 JOHNMQKFMAVMII-SFHVURJKSA-N 292.338 3.614 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC1CCC(CC)CC1 473611833 ARHUNZIMLNMYOJ-DQPZFDDXSA-N 281.440 3.548 30 20 CHED C#Cc1ccc(CN[C@@H](C)CCc2ccc(OC)cc2)cc1 809610834 GRWQSVCYFBWKKW-INIZCTEOSA-N 293.410 3.787 30 20 CHED C=C(CC)COc1ccc(-c2noc(C3CC3)n2)cc1 560934352 GVHPOKHRYYPNTQ-UHFFFAOYSA-N 270.332 3.959 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1cccc(OC(C)C)c1 296662491 YOJGXFFQXAHMHX-UHFFFAOYSA-N 275.392 3.644 30 20 CHED CCN(C)c1ccc(/C=C2/C(=O)c3ccccc3[C@@H]2C)cn1 809159707 VEIYJKIPPNPDJG-HNEYUBDGSA-N 292.382 3.921 30 20 CHED CCCCC[C@H]1CCCN1C(=O)c1ccc(C#N)cc1 489308357 XRYGZNNRKSSDTJ-INIZCTEOSA-N 270.376 3.743 30 20 CHED CC#CCN(C)C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 819249346 JQDSSMXJPJYMCW-BENRWUELSA-N 295.304 3.590 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc(C(C)(C)C)cs1 815089354 CZHJOEDBEFKGFN-UHFFFAOYSA-N 274.336 3.591 30 20 CHED CN(CCCc1cccc(F)c1)Cc1cccc(C#N)c1 485799939 KLEAEUMBMOLOQT-UHFFFAOYSA-N 282.362 3.762 30 20 CHED C=C(C)[C@@H](NC(=S)NC1CCC1)c1ccc(F)c(F)c1 814201351 BNLKXVZZMAXBBC-CQSZACIVSA-N 296.386 3.599 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 564422459 BJKBHJHGXXLHJB-XDKFSHSGSA-N 296.414 3.604 30 20 CHED C=CCC1(C(=O)NC2C[C@@H](C)O[C@H](C)C2)CCCCC1 649277917 KVGMPRIWIBDRLS-ZIAGYGMSSA-N 279.424 3.585 30 20 CHED Cc1ccc(CNCCC#N)c(O[C@H](C)CC(C)C)c1 563882017 VFDGRDWVPANUMF-OAHLLOKOSA-N 274.408 3.812 30 20 CHED C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)C1 813217657 ILEAOOIJGAVWLZ-SCVCMEIPSA-N 296.292 3.713 30 20 CHED CC(=NNc1ccccc1F)c1ccccc1[N+](=O)[O-] 812459741 GGGQYXBZNCWUDQ-UHFFFAOYSA-N 273.267 3.570 30 20 CHED C=CCSc1ccccc1C(=O)NCC(C)(C)C 485467785 QCPIZQPUIDJKEV-UHFFFAOYSA-N 263.406 3.741 30 20 CHED Clc1ccc(NN=Cc2nc3c(s2)CCC3)cc1 814683525 FAGCEUDPCDLOAM-UHFFFAOYSA-N 277.780 3.731 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@@H](C)C(C)(F)F 816349577 UNXNMXZZTLVMHJ-CYBMUJFWSA-N 297.345 3.814 30 20 CHED C#C[C@@H](NCc1ccnc(Cl)c1Cl)C(C)(C)C 811507668 KSWCVTXEXMUAPX-SNVBAGLBSA-N 271.191 3.526 30 20 CHED N#Cc1ccc(OCc2cc(-c3ccccc3)no2)c(F)c1 486699622 KDQJRIHSOLFANL-UHFFFAOYSA-N 294.285 3.931 30 20 CHED C[C@H]1COC[C@H](c2ccccc2)N1CC#Cc1ccccc1 484063762 GQTLPYIOUSHZEA-FXAWDEMLSA-N 291.394 3.500 30 20 CHED C=CCC[C@@H](CCC)NC[C@@](C)(C(=O)O)c1ccccc1 650801876 CHXISJLKUQJNAY-SJLPKXTDSA-N 289.419 3.753 30 20 CHED CCCC(=NNC[C@@H]1CCSC1)c1ccc(OC)cc1 814935428 NCBLENVCOAPDKT-ZDUSSCGKSA-N 292.448 3.542 30 20 CHED Fc1ccc([C@@H]2CCCC2=NNC[C@@H]2CCSC2)cc1 811660956 WWSCAQPDZQCORP-WFASDCNBSA-N 292.423 3.792 30 20 CHED CC(CCC(C)C)=NNc1ncnc2sccc12 725818342 KBBDEVYJUYJZSK-UHFFFAOYSA-N 262.382 3.915 30 20 CHED Cc1ccc(/C=C/CC(=O)N2CCC(CCC#N)CC2)cc1 573566388 IJAWFCJGDKADGX-DUXPYHPUSA-N 296.414 3.941 30 20 CHED CC(=NNc1ccccc1F)c1ccc(O)c(C)c1 728226288 MCPHXRFJCGUROY-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)CCc1ccccc1F 488877179 NJJFDKYNUAMAJZ-GOEBONIOSA-N 289.394 3.962 30 20 CHED C[C@H]1/C(=C/c2cnn(CC(F)F)c2)C(=O)c2ccccc21 814189052 DMUMXNQUJYXHAE-WBERELSBSA-N 288.297 3.532 30 20 CHED c1ccc(CC(=NNc2nc3ccccc3[nH]2)C2CC2)cc1 729141190 XKWTUXIDYJBEER-UHFFFAOYSA-N 290.370 3.984 30 20 CHED C=C(C)CCNCc1c(C)nn(CCCC)c1Cl 824743446 CBWWHSRHGJZJKE-UHFFFAOYSA-N 269.820 3.701 30 20 CHED C#Cc1cccc(N(CC)CCOc2ccccc2OC)c1 728573703 XJBOCOBNXXDYKW-UHFFFAOYSA-N 295.382 3.582 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C)C(F)(F)C1 494260362 UVNUWLHDOREYQD-RYUDHWBXSA-N 264.319 3.596 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(SC)cc1 821432349 REIBPAASMQOLFV-UHFFFAOYSA-N 277.433 3.670 30 20 CHED C=CCCCCS[C@H](C)C(=O)Nc1ccnn1C(C)C 573823612 JBFZEKPERIKMFA-CYBMUJFWSA-N 295.452 3.881 30 20 CHED C#C[C@H](CC)NC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 821567263 JHPRTGMPGTZOLB-QAPCUYQASA-N 296.414 3.650 30 20 CHED Cc1ccccc1C[C@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 571731453 PZGIDGKIQVWAEL-HNAYVOBHSA-N 296.414 3.516 30 20 CHED Cc1cc(Nc2cccc(F)c2C#N)ccc1N(C)C 725787713 LXMDXCTVAYCUTD-UHFFFAOYSA-N 269.323 3.815 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](c1ccccc1)C(F)F 820466430 GPJYPTHZVSBYAX-RISCZKNCSA-N 267.319 3.711 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc([C@H]2C[C@H]2C)o1 584876263 LVFOUTBTEXAQFM-OCCSQVGLSA-N 290.407 3.805 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)CCCCCC#N)C1CC1 588923694 HRMDFHVNHXHSPU-ZIAGYGMSSA-N 264.413 3.886 30 20 CHED C=C(C)CNC(=S)N(C)[C@H](c1ccccc1)C(C)C 732927682 VOZFWYYMGGTQFT-HNNXBMFYSA-N 276.449 3.766 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1ccsc1 669876686 LOHMYBQHJVNNME-VXGBXAGGSA-N 266.410 3.853 30 20 CHED O=C1/C(=C\c2cc(Cl)cs2)Cc2c(O)cccc21 588601460 OKKBMXXAZQATOL-YWEYNIOJSA-N 276.744 3.930 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc(C#N)cc1F 588907687 YBRKSHGYPOIORT-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED C=CCC1(c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)CCC1 589128425 ZJANPJSFRRGGMZ-UHFFFAOYSA-N 299.330 3.951 30 20 CHED C=CCC(C)(C)CNC(=O)COc1ccccc1C(C)C 582412228 WTFGFDBQDXLHBZ-UHFFFAOYSA-N 289.419 3.907 30 20 CHED CCC(C#N)(CC)C(=O)N(c1nc2ccccc2o1)C1CC1 905869616 MDFLVINBIITHKP-UHFFFAOYSA-N 297.358 3.653 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H]1CCc2ccccc21 734427648 TVRTVOZDJORDEN-INIZCTEOSA-N 284.403 3.505 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)[C@H]1CCCC[C@@H]1C 834940747 QHIWSSYQWFHMMJ-GWCFXTLKSA-N 276.340 3.604 30 20 CHED CC1(C)OCC[C@H]1NN=C1CCCCC12CCCC2 835020588 IHVNDCSHVMSSLK-CYBMUJFWSA-N 264.413 3.634 30 20 CHED CC(C)(C)n1cc(/C=C\C(=O)c2ccc(Cl)s2)nn1 588579748 VPARIFUGHHSGDB-PLNGDYQASA-N 295.795 3.644 30 20 CHED C=CCCNC(=O)Nc1ccc(Cl)c(SC)c1 667236068 PRQLKKWKATUCNE-UHFFFAOYSA-N 270.785 3.760 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc(CC(=O)O)cc2)c1 734980946 KWVQTHYBPQZTTQ-CLFYSBASSA-N 298.313 3.657 30 20 CHED COc1cccc(/C=N/[C@@H]2CCc3ccc(F)cc32)c1O 730146854 HMEDWWRCGYLOKB-GDXCHIGESA-N 285.318 3.646 30 20 CHED CCCCCCO[C@@H](C)C(=O)Nc1cccc(C#N)c1C 839707513 FXBLMWWANARWAJ-AWEZNQCLSA-N 288.391 3.791 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccccc2Cl)C1 839043442 MABJVKQLSIGBMX-WDEREUQCSA-N 263.724 3.579 30 20 CHED C=CCCN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 839652828 QEAMIEPHKXZOFR-NSHDSACASA-N 292.232 3.503 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)[C@]2(C#N)CC23CCCC3)C1 839212317 LBHDMNLFIKMPQK-XJKCOSOUSA-N 261.365 3.582 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1C=NNc1cccc(F)c1 739411085 FVICSWTWKYSMJM-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C=CC(C)(C)C(=O)OCc1cnc(C(C)(C)C)s1 835363379 XCTRLOQRNOZJDP-UHFFFAOYSA-N 267.394 3.696 30 20 CHED CC[C@H](C)[C@@H](C=NNc1cccc(C(F)(F)F)n1)OC 834959585 VHBWDVBLCYQLJA-VHSXEESVSA-N 289.301 3.559 30 20 CHED CCCCNN=C(C)c1cccc(OC(F)(F)F)c1 730947652 BMIOPGZSRZPECG-UHFFFAOYSA-N 274.286 3.699 30 20 CHED CC(C)(C)C#CC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 837410760 COPUADUZSNKRIC-HNNXBMFYSA-N 291.341 3.678 30 20 CHED C=CCC1(NCc2ccc(C(=O)OC)c(F)c2)CCCC1 595780230 MBSFCEUBYNIXGF-UHFFFAOYSA-N 291.366 3.591 30 20 CHED CCCn1nccc1CN(Cc1ccc(C#N)cc1)C(C)C 596979024 FDHLDPMWEXMFMM-UHFFFAOYSA-N 296.418 3.575 30 20 CHED CCc1ccccc1NN=Cc1csc([N+](=O)[O-])c1 917549261 ZKZYKGAOXGSXNC-UHFFFAOYSA-N 275.333 3.665 30 20 CHED C[C@H](CN1CCC[C@H](CC#N)C1)c1cc(F)cc(F)c1 597176677 JGYBAHUCIOKDET-CHWSQXEVSA-N 278.346 3.694 30 20 CHED N#CCN(C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1ccccc1 598808960 UAKAFJNRAYTLDR-FVQHAEBGSA-N 282.387 3.760 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(C#Cc2cccs2)c1 674976490 UNQSMDQMALFOGD-CYBMUJFWSA-N 296.395 3.844 30 20 CHED Fc1cc2nc(NN=CC3CCCCC3)[nH]c2cc1F 912825412 YKNQULXWAXPYMV-UHFFFAOYSA-N 278.306 3.819 30 20 CHED CCCCCCCCOCc1nc(C2CC2)no1 743275051 KLNXPNWJTOEAKL-UHFFFAOYSA-N 252.358 3.824 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)[C@@H](C#N)CCc1ccccc1 597752606 DYPNIBOYIGVGAP-GOEBONIOSA-N 284.403 3.548 30 20 CHED CCCCCCCOC(=O)CCC1CCOCC1 744046697 FDMVNMFHWMNOKJ-UHFFFAOYSA-N 256.386 3.707 30 20 CHED CCC1(CC)CCN(C(=O)CC2(C#N)CCCCC2)C1 597370241 WKJOBHKPDJYQQS-UHFFFAOYSA-N 276.424 3.889 30 20 CHED CCOc1ccc(O)c(/C=N\CC2(OCC)CCCC2)c1 840708052 ZQXBKYFXXNLGPL-PDGQHHTCSA-N 291.391 3.559 30 20 CHED O=C(NO)c1cc(-c2ccccc2Cl)nc2ccccc12 916666059 ONSAPPJLLCSUJV-UHFFFAOYSA-N 298.729 3.674 30 20 CHED C=CC[C@@H](C)[C@H](C)NCCc1c[nH]c2ccc(OC)cc12 675878231 QTYHBQWKJZHRAV-KGLIPLIRSA-N 286.419 3.909 30 20 CHED C[C@@]1(C#N)CCCN(CC[C@@H]2CCc3ccccc32)C1 595427202 SLVJEBXNUYQCGM-WMZOPIPTSA-N 268.404 3.732 30 20 CHED C=C(Cl)CN1CCc2[nH]c3ccc(C)cc3c2C1 749273253 HWPCHNDQGJFXAK-UHFFFAOYSA-N 260.768 3.587 30 20 CHED CCCCCCC[C@H](C)CNC(=O)/C=C/c1cnn(C)c1 917873042 UKOGNPYEBAWCPZ-NKSUMMKUSA-N 291.439 3.546 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N[C@@H](C2CCC2)C2CC2)c1 590892861 HRBBAVAFJVFWRS-HNNXBMFYSA-N 288.778 3.520 30 20 CHED C[C@@H](C(=O)OCc1cccc(C#N)c1)c1cccc(F)c1 744118490 CIZDTYJSHNQJQX-GFCCVEGCSA-N 283.302 3.544 30 20 CHED CCC(=NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1C 841633494 KSVALTROHOHXLG-PSASIEDQSA-N 265.288 3.568 30 20 CHED CC1=CC(=NNc2ncnc3sc4c(c23)CCC4)CC1 916309935 QWCDDTHWTCZDEM-UHFFFAOYSA-N 284.388 3.688 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 741871698 ZATCYYIDHRKYLN-ZMSDIMECSA-N 298.455 3.923 30 20 CHED C=C[C@@H](C)ONC(=O)/C=C(/C)c1ccccc1C(F)(F)F 846545255 FTCDJQAURQTNLS-DWOQACPDSA-N 299.292 3.731 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H](C)Sc1ccccc1Cl 594088748 NVJOVTNWXPVLPX-WDEREUQCSA-N 296.823 3.581 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)CCc1cccc2ccccc12 845632447 ASLBNXVBNVQBFQ-CQSZACIVSA-N 298.386 3.530 30 20 CHED C=C(C)CCOC(=O)Cc1csc(-c2ccccc2)n1 744300219 SMOFRIBKILIDFK-UHFFFAOYSA-N 287.384 3.862 30 20 CHED CC[C@@H](COC(=O)C1(C#N)CCCCC1)CC(F)F 845757592 FVCZYPAGVATNKC-LLVKDONJSA-N 273.323 3.685 30 20 CHED CN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1cccc(C#N)c1 592585538 LFUVLXLICJKKDS-DZGCQCFKSA-N 270.376 3.593 30 20 CHED C=CCN(C(=O)Nc1cccc(F)c1C)C(C)C 746036247 NYJFTSOFSNCTQH-UHFFFAOYSA-N 250.317 3.562 30 20 CHED N#CCCCCCC(=O)N1CC[C@@H](C2CCCCC2)C1 598152683 IHWLIEAORFHVJI-MRXNPFEDSA-N 276.424 3.889 30 20 CHED C(=NNc1nncc2ccccc12)c1ccc2ccccc2n1 741454230 XYMVNZXZLVGORR-UHFFFAOYSA-N 299.337 3.624 30 20 CHED CN(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 596624444 DXBKYIITHGEWTD-UHFFFAOYSA-N 270.376 3.509 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H]1c1cccc(F)c1 684929111 DWEAFAMLVLMYOT-CABCVRRESA-N 276.355 3.637 30 20 CHED Cc1oncc1-c1cc(CC#N)ccc1OC(C)C 592988183 HJPYYEGGNXXBIM-UHFFFAOYSA-N 256.305 3.503 30 20 CHED Cc1cc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)oc1C 598886455 FSHZRTCXELFEKD-UHFFFAOYSA-N 294.354 3.967 30 20 CHED CC(C)c1cccc(CNC(=O)N2CCC[C@@H](CC#N)C2)c1 595583940 ZKOUGSXJOACTJJ-HNNXBMFYSA-N 299.418 3.645 30 20 CHED COc1ccc(F)cc1N[C@H](C)CC(C)(C)C#N 925936199 LTRHUKVMMLSDCT-SNVBAGLBSA-N 250.317 3.575 30 20 CHED C#CCN(CC)C(=O)Nc1cccc(-c2cccs2)c1 749227979 NLRYPYSASPLMLI-UHFFFAOYSA-N 284.384 3.902 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)NCCCCCC 743201679 GFIHUFDTLXSVEG-UHFFFAOYSA-N 292.354 3.540 30 20 CHED CC(=NNc1cccc(Br)c1)c1ccco1 745988432 WGQXDRBREZRAMG-UHFFFAOYSA-N 279.137 3.878 30 20 CHED C#CC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccccc1 846158448 YSTXHVNWIXWTIL-RHSMWYFYSA-N 295.382 3.816 30 20 CHED Cc1cc(/C=C2\C(=O)c3ccccc3[C@@H]2C(C)C)nn1C 840718166 ACOXKPXXGMQKIG-RNIVLKNTSA-N 280.371 3.748 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccc(F)cc1 759072428 KAUMBGFPTWIJMB-WAYWQWQTSA-N 267.712 3.832 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1nonc1C)c1ccc(F)c(F)c1 926208083 YXDIBCQLIZUJHC-YMTOWFKASA-N 293.317 3.624 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@]1(C)CCc2ccccc21 851204763 CXOXXWZTQVEEBP-SCLBCKFNSA-N 285.387 3.762 30 20 CHED CC(C[C@H]1CCOC1)=NNc1cccc2c1CCCC2 751527522 VFOOGFVRHBFTAZ-CQSZACIVSA-N 272.392 3.780 30 20 CHED N#CC1(C(=O)OCc2c(Cl)oc3ccccc23)CCC1 856931793 XFFDGBHDFYLHLC-UHFFFAOYSA-N 289.718 3.823 30 20 CHED FC(F)CON=C1CCC(c2ccccc2)CC1 758906668 KGBLSMLGKKRMIV-UHFFFAOYSA-N 253.292 3.982 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(OCC#N)cc1 850444831 ZOBZRXPTGFGFJL-AEFFLSMTSA-N 284.403 3.813 30 20 CHED O=C1/C(=C\c2csc([N+](=O)[O-])c2)Cc2c(F)cccc21 921263585 HDINPTGSSHDAIZ-WTKPLQERSA-N 289.287 3.618 30 20 CHED C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C#N)C1 928219840 CSJLVJVQEDLSKH-TZIYXEQSSA-N 288.778 3.505 30 20 CHED CCc1nc(CON=Cc2ccc(Cl)cc2)cs1 920399293 PSERKPZUAPQYOY-UHFFFAOYSA-N 280.780 3.910 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(N2CCCC2)cc1 758397249 VWMODGWHHYKSET-UHFFFAOYSA-N 284.403 3.994 30 20 CHED CCC1(C(=O)OCc2ccc(F)cc2C#N)CCCC1 757125552 PAOAYCFIDMASKG-UHFFFAOYSA-N 275.323 3.711 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C2(C)CCC2)n1 750741206 GTMRVWNFPHLVII-SNVBAGLBSA-N 262.378 3.633 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)O[C@H](C)c2cccc(C#N)c2)C1 759548746 YCBRUNWJQNJBDF-MGPQQGTHSA-N 271.360 3.989 30 20 CHED C#C[C@](C)(CC)NCc1coc(-c2ccc(OCC)cc2)n1 852101148 MXIJFIGLDSZQTP-GOSISDBHSA-N 298.386 3.632 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccc(O)c(F)c1 756831380 IYKAWVXGNKQFFS-UHFFFAOYSA-N 292.741 3.699 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 935774042 WYJIMZNAUGQLGS-QBPKDAKJSA-N 293.451 3.521 30 20 CHED CCCCCCCNC(=O)c1c([N+](=O)[O-])ccc(F)c1C 862354584 BQUNYJYWMRHPIC-UHFFFAOYSA-N 296.342 3.743 30 20 CHED FC(F)(F)CNN=CC(c1ccccc1)c1ccccc1 769816000 VRQDPHSVEFEJRD-UHFFFAOYSA-N 292.304 3.956 30 20 CHED c1cncc(CON=C2C[C@@H]3CCCc4cccc2c43)c1 763369867 JPKPGZNGBWAAHI-HNNXBMFYSA-N 278.355 3.826 30 20 CHED C[C@H]1CC(=NNc2ncc(F)cn2)C[C@@H](c2ccccc2)C1 760264334 AVLWLUNYJPIMTK-OCCSQVGLSA-N 298.365 3.987 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccc(C2CCC2)cc1 767230744 UPABULDLFODZQE-CYBMUJFWSA-N 274.360 3.841 30 20 CHED C=CCCCN[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 769920149 MWUJFECYAIBVOU-HNNXBMFYSA-N 296.455 3.626 30 20 CHED CCCCCCCNC(=O)c1ncccc1C(F)(F)F 862357782 GYGZYDIGPYIOJL-UHFFFAOYSA-N 288.313 3.801 30 20 CHED CC[C@@H](C)c1ccc(C(C)=NNc2cnccn2)cc1 863079410 MGMJRVDDNGDOFY-GFCCVEGCSA-N 268.364 3.826 30 20 CHED C#C[C@H](CC)OC(=O)c1ccc(C)c(Oc2ccncc2)c1 768062669 MVNVJMZCQKQTIP-OAHLLOKOSA-N 295.338 3.751 30 20 CHED N#C[C@H]1CC[C@@H](n2cc(-c3ccc(Cl)cc3F)nn2)C1 863850887 MCCDTLNBJXHTJL-GXSJLCMTSA-N 290.729 3.602 30 20 CHED COc1cccc(/C=N/[C@@H](C)c2cccc(F)c2F)c1O 766672215 NXLYHYIHSOFEAZ-XPAGJJBOSA-N 291.297 3.859 30 20 CHED C#CCC(C)(C)C(=O)NCC1CCC(C(C)C)CC1 767096528 SVWXQFJSSUECJR-UHFFFAOYSA-N 263.425 3.615 30 20 CHED CC(C)C(=NNCCOCC(F)(F)F)C1CCCCC1 765595862 QRYBQDXFOYZKKQ-UHFFFAOYSA-N 294.361 3.747 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(Cl)c[nH]1 768526830 RELFQVVKABSRML-UHFFFAOYSA-N 268.744 3.545 30 20 CHED Cc1ccc2oc(C(=O)Nc3sccc3C#N)cc2c1 58034942 COKFTFXCXWKVIF-UHFFFAOYSA-N 282.324 3.927 30 20 CHED CC[C@@H](NCCNc1ccccc1)c1ccc(C#N)cc1 774216547 IAHDIHRROFEEGW-GOSISDBHSA-N 279.387 3.711 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 58242938 VRIGMPSPGBPWFH-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C[C@@H](CNCc1cc(C#N)ccc1F)c1ccc(F)cc1 776362692 QZLHVRJNMHKCAE-LBPRGKRZSA-N 286.325 3.730 30 20 CHED Cc1cc(C(=O)OCc2ccc(CC#N)cc2)ccc1F 776111163 BMCRKLHDDPLFEA-UHFFFAOYSA-N 283.302 3.557 30 20 CHED CCCCC[C@H](CC)C(=O)Nc1cc(CC#N)ccn1 775777256 JKSMKVXXIKRDLT-AWEZNQCLSA-N 273.380 3.693 30 20 CHED C=CC[C@H](C(=O)OCC1(CC#N)CC1)c1ccccc1 778655372 WGXOXTVXAMLMOC-HNNXBMFYSA-N 269.344 3.583 30 20 CHED C#CCCCN[C@@H](COc1ccccc1F)C(C)(C)C 776024552 OMKIVDUMWBYQAL-INIZCTEOSA-N 277.383 3.622 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)OC2CCCCC2)C1 1118782377 RXIVGWWEISIIOC-LSDHHAIUSA-N 279.424 3.539 30 20 CHED Cc1cc(CNc2cccc(OCC#N)c2)cnc1Cl 779587536 ARHVASWZZNRPIR-UHFFFAOYSA-N 287.750 3.558 30 20 CHED C[C@@H](C1CCCCC1)N(C)Cc1ccc(OCC#N)cc1 773973974 CCCIJIGZFPWMQB-HNNXBMFYSA-N 286.419 3.990 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc(C#N)c(F)c1 776725755 FABTVKCYKHQXHO-VOTSOKGWSA-N 295.313 3.911 30 20 CHED C#CCCCCC(=O)O[C@H](C)C(=O)c1ccc(CC)cc1 773633804 YWNZYCFVYFYDCY-CQSZACIVSA-N 286.371 3.557 30 20 CHED C=C1CCC(C(=O)OCCCCC(C)(C)C#N)CC1 885652171 PEKCOBMNQJHMIH-UHFFFAOYSA-N 263.381 3.996 30 20 CHED O=C1/C(=C/c2nc3c(s2)CCCC3)Cc2c(O)cccc21 776265600 LRAIYUPCPYYKDZ-MDZDMXLPSA-N 297.379 3.550 30 20 CHED C#CCN(C)C(=O)Nc1ccc2nc(C(C)C)sc2c1 788037510 RCODVXYOEMSDKN-UHFFFAOYSA-N 287.388 3.517 30 20 CHED C=CCN(C(=O)c1nc(Cl)sc1C)c1ccccc1 788134899 WXDJENLOUHRNLL-UHFFFAOYSA-N 292.791 3.938 30 20 CHED C[C@H](N[C@@H]1CCc2ccc(Cl)nc21)c1cccc(C#N)c1 788610855 MOAQKEJJOPLEMF-XHDPSFHLSA-N 297.789 3.945 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1ccc(OC)cn1 780266754 AXVFOYJSFSVWTD-NEPJUHHUSA-N 261.369 3.704 30 20 CHED COc1cc(NN=C(C)[C@@]2(C)CCCO2)ccc1Cl 788472808 ZZKCPPGHQBJLOZ-CQSZACIVSA-N 282.771 3.706 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccccc3F)cn2c1 789129064 YBRWHRVXFUOFAS-BQYQJAHWSA-N 280.302 3.678 30 20 CHED C=C[C@@H](C(=O)NC[C@@H]1CCC(F)(F)C1)c1ccccc1 1123871352 IEDOTJIWLXDDMZ-TZMCWYRMSA-N 279.330 3.508 30 20 CHED Cc1cc(COC(=O)/C=C\c2cccs2)ccc1C#N 782037893 ZWIOJPSMWKVDBK-SREVYHEPSA-N 283.352 3.685 30 20 CHED C=C(Cl)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 788589846 WRLPRSJGRJSGLY-ZDUSSCGKSA-N 280.755 3.659 30 20 CHED N#CCOc1ccc(CN2CCCc3ccccc32)cc1 77012622 BERKXNHPWCDMNS-UHFFFAOYSA-N 278.355 3.542 30 20 CHED N#CC1(COC(=O)/C=C\c2ccc3[nH]ccc3c2)CCCC1 780528541 FVISJECCWJBJDW-XQRVVYSFSA-N 294.354 3.808 30 20 CHED C=C1CC(c2noc(-c3cc(Br)oc3C)n2)C1 896874537 QHKPIJUBTGAJMJ-UHFFFAOYSA-N 295.136 3.834 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)c1cccs1 301172013 XLIOMRFOWPBPLQ-MRVPVSSYSA-N 263.753 3.841 30 20 CHED C[C@@H]1C(=NNc2cnc3ccccc3n2)CCC[C@H]1C 781121439 BCPFVKLCCMSSCH-NEPJUHHUSA-N 268.364 3.854 30 20 CHED N#Cc1cccc(COC(=O)CCCc2ccsc2)c1 783262619 LODORJMNJKRPFP-UHFFFAOYSA-N 285.368 3.686 30 20 CHED C=C1CC(c2noc([C@H](C)Oc3cccc(C(C)=O)c3)n2)C1 896882219 RRHMHWAHNSDSQI-LBPRGKRZSA-N 298.342 3.846 30 20 CHED CC(CCc1cccc(C)c1)=NN[C@@H]1CCOC(C)(C)C1 780250188 HJZCJCMQVQDOHO-QGZVFWFLSA-N 288.435 3.851 30 20 CHED CC1(C)COc2c(C(=O)OCC3(C#N)CCCC3)cccc21 789471132 RWBOWWSTOFVZFM-UHFFFAOYSA-N 299.370 3.597 30 20 CHED C=C1CN(C(=O)CCCCCO[C@H]2CCC[C@H](C)C2)C1 898699865 UDVUJZKVHKLPJG-HOCLYGCPSA-N 279.424 3.541 30 20 CHED C[C@H]1C[C@H](Nc2cccc(Cl)c2C#N)CS1 397847655 ITYQQMVEDOINFP-IUCAKERBSA-N 252.770 3.518 30 20 CHED C=CCC1(C(=O)OCc2cnc(OC)c(Cl)c2)CCC1 791560782 NGCGFYMRFXCJFP-UHFFFAOYSA-N 295.766 3.533 30 20 CHED Cc1nn(C(C)C)cc1/C=C1\Oc2cc(F)ccc2C1=O 798370276 INHMSTKWKUFMSE-UUASQNMZSA-N 286.306 3.528 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)c(F)c2)c(C)s1 589799309 OLNRZBHEDHAKGL-UHFFFAOYSA-N 274.320 3.628 30 20 CHED C=CCNC(=S)Nc1cc(-c2cccnc2)ccc1C 795011732 GNUVFWCZAQTHKK-UHFFFAOYSA-N 283.400 3.529 30 20 CHED COCCCON=C(C)C(C)(C)c1ccc(F)cc1 795053434 NGHQMIOHDJVLAI-UHFFFAOYSA-N 267.344 3.532 30 20 CHED Cc1ccsc1CN(C)Cc1cccc(C#N)c1 61798682 GVGYPEQASYFAPU-UHFFFAOYSA-N 256.374 3.560 30 20 CHED CCCCCCCS(=O)(=O)N(C)Cc1ccccc1C 799745217 LCOKGRPRDLPEHM-UHFFFAOYSA-N 297.464 3.727 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cc2c(cc1O)CCCC2 797586947 NZYANULOQNNIJF-ZDUSSCGKSA-N 284.403 3.615 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cc(C)n(C)n1 799876030 IVEFUYGDFWJFKJ-CQSZACIVSA-N 298.434 3.927 30 20 CHED CCCCc1ccc(C(C)=NNc2cncnc2)cc1 794978512 NUYFLRIPGGNCQW-UHFFFAOYSA-N 268.364 3.655 30 20 CHED Fc1cccc(NN=Cc2ccccc2OC2CCCC2)n1 795006409 HGTGNPDODQYWKM-UHFFFAOYSA-N 299.349 3.988 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@H]2CCC(C)(C)C2)c1 797611144 LOTLABJKPQSTMM-HNNXBMFYSA-N 270.376 3.710 30 20 CHED C#C[C@H](NC(=O)N(CC)[C@H](CC)c1ccccc1)C(C)C 798551525 BNPKIESCFCTZCK-DLBZAZTESA-N 286.419 3.827 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccc(C#N)c(F)c1 1219031105 XRKKUAXCDQCTMT-QWRGUYRKSA-N 289.354 3.644 30 20 CHED Cc1nsc(N2CCC[C@@H](C(C)(C)C)CC2)c1C#N 1306966391 RYZWUPRRLMNXGP-GFCCVEGCSA-N 277.437 3.976 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1Nc1ncc(C#N)cc1F 1307141472 YNMDJWWDTBOVHO-AAEUAGOBSA-N 261.344 3.719 30 20 CHED Cc1c(Cl)cnc(N2CC(C)(C)C[C@@H]2C)c1C#N 1163511339 AKLLGURHLNXFOK-VIFPVBQESA-N 263.772 3.540 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)CC#Cc1ccccc1 1319212892 QQWAQFNDNBWASR-IBGZPJMESA-N 289.378 3.540 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(C(C)(C)C)nn1 1324923773 PYWOXDHISMOBFW-LBPRGKRZSA-N 290.411 3.640 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)c1ccc(F)cc1F 1324582975 XPUGCDRUONNRKI-NSHDSACASA-N 281.346 3.787 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)nn1)[C@@H]1C[C@@H]1C 1327462020 XFZOMADZSMAWJX-WDEREUQCSA-N 260.385 3.608 30 20 CHED N#CCc1cccc(N[C@H]2CCCOc3cc(F)ccc32)n1 1321328344 CGQFSPMQTFXBOB-HNNXBMFYSA-N 297.333 3.613 30 20 CHED C#CCCCCC(=O)Nc1ccn(C2CCCCC2)n1 1322011840 DFBALFALIQKLQG-UHFFFAOYSA-N 273.380 3.520 30 20 CHED C[C@H](c1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C 1322325320 MXMJBEMQVNCXBR-SNVBAGLBSA-N 255.321 3.758 30 20 CHED Cc1nc(C(C)C)oc1-c1nnc(-c2ccc(C#N)cc2)o1 1329324848 YNKXPHWGLSHWFJ-UHFFFAOYSA-N 294.314 3.695 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCCC[C@@H]1N(C)C 1327544386 RWIZKTCUERJMPL-HOTGVXAUSA-N 282.472 3.726 30 20 CHED C=C(C)CCc1noc(-c2cnn(C3CCCCC3)c2)n1 1327857974 IDSQCICVQODNCN-UHFFFAOYSA-N 286.379 3.947 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccccc1Cc1ccccc1 1337807756 IIISSDAGOISENX-HNNXBMFYSA-N 292.382 3.652 30 20 CHED CC(=NNCc1ccc(F)cc1)c1ccc(C)c(C)c1O 1253071994 UADQYWBUOSDMJP-UHFFFAOYSA-N 286.350 3.662 30 20 CHED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3C[C@H]3F)c2)cc1 1265040219 LQZQVMVFJQAAST-HZPDHXFCSA-N 296.301 3.647 30 20 CHED CC1(C)CC(NC(=O)c2csc(C#N)c2)CC(C)(C)C1 1266702908 VWDGCQIRKPBEPX-UHFFFAOYSA-N 290.432 3.954 30 20 CHED C/C(=C\C(=O)O[C@@H](CC#N)c1ccco1)C(C)(C)C 1346706168 HHQFMDBYUFWGAV-NHAQELONSA-N 261.321 3.770 30 20 CHED N#C[C@@H](C(=O)Cc1cccc(C2CC2)c1)c1cccc(F)n1 1342624588 VWVQNSMNGVRHNM-OAHLLOKOSA-N 294.329 3.517 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OCCC)c(OC)c1 1347244455 XJCXMPZLVFCBEP-UHFFFAOYSA-N 277.364 3.779 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cscc2Cl)nn1 1340765425 FWMIDVGNUXNZTO-UHFFFAOYSA-N 294.811 3.935 30 20 CHED C=C(Cl)COC(=O)Cc1coc2cc(C)ccc12 104773980 MSODIRWBCVKWDO-UHFFFAOYSA-N 264.708 3.579 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2C#N)c2c1CCC2 1529992663 WCGMICVNZIRUBA-UHFFFAOYSA-N 276.339 3.608 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1F 1528047860 PKXYVOBLRBQSIV-LBPRGKRZSA-N 262.328 3.708 30 20 CHED CS[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1 224659824 WIIBTFDOLNUQNR-APHBMKBZSA-N 274.433 3.883 30 20 CHED O=C(O)CC1CCC(=NNc2ccccc2Cl)CC1 1608693334 DOJUTZSAUFRUDT-UHFFFAOYSA-N 280.755 3.773 30 20 CHED Cc1ccc(F)cc1[C@H](C)OC(=O)Cc1cccc(C#N)c1 1537549242 LDRGENQRGHKGIR-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED C=CCC[C@@H]1CCCN1Cc1cccc(C(=O)O)c1Cl 1602860344 BWQIFUKRTUTRDE-CYBMUJFWSA-N 293.794 3.969 30 20 CHED Cc1cc(C#N)nc(N(C)C2CC(C)(C)CC(C)(C)C2)n1 1472826919 KUGJZDAUOAAKJR-UHFFFAOYSA-N 286.423 3.698 30 20 CHED Cc1cc(NC[C@H](C)COCc2ccccc2)ncc1C#N 1472676800 VMZYNJKMWCMBAT-AWEZNQCLSA-N 295.386 3.527 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCc1ccccc1 18042715 BVBFOUQMCJEBKN-BOPFTXTBSA-N 259.736 3.707 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1scc(C)c1C#N 1624564551 RVVUKLICXZNINZ-NWDGAFQWSA-N 291.420 3.876 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1(C2CCCCC2)CC1 1639417896 LWJOWMJDQFQBET-UHFFFAOYSA-N 297.402 3.899 30 20 CHED C=CC1(CC(=O)NC(CC)(CC)CC(=O)O)CCCCC1 1573351711 XHNICABIJFDVLR-UHFFFAOYSA-N 295.423 3.663 30 20 CHED CC(C)(C)CN(Cc1cccc(C#N)n1)CC(C)(C)C 1659715429 NNHWWVMOVKOGSC-UHFFFAOYSA-N 273.424 3.847 30 20 CHED COC1(CNc2snc(Cl)c2C#N)CCCCCC1 1652307772 OCMYMTJWITXJAI-UHFFFAOYSA-N 299.827 3.819 30 20 CHED N#Cc1ccccc1N(C(=O)c1ccccc1F)C1CCC1 1586218221 XWQUZIWIFFBWQP-UHFFFAOYSA-N 294.329 3.897 30 20 CHED CC(C)C[C@@H](C)OC(=O)N1CCCC(C)(C)[C@@H]1C#N 1655248405 NZRQEUOLNFOXID-OLZOCXBDSA-N 266.385 3.572 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)c1ccccc1 1652471524 ICGFSSOSNPXLQJ-UHFFFAOYSA-N 280.371 3.520 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)O 1588798570 KJYLLNIYWOWWPI-LSDHHAIUSA-N 295.423 3.520 30 20 CHED C[C@@H](SCc1ccc(-c2ccccc2C#N)cc1)C(=O)O 1593661581 HLZNBSDOSZPQHO-GFCCVEGCSA-N 297.379 3.932 30 20 CHED N#Cc1cccc(C2(NC(=O)OCC3CCCCC3)CC2)c1 1663285978 YOESHEWFMZZIFL-UHFFFAOYSA-N 298.386 3.854 30 20 CHED C[C@@H](SCc1cccc(C(=O)O)n1)c1ccc(C#N)cc1 1593661523 DSSIIVLNGXEYHM-LLVKDONJSA-N 298.367 3.646 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(CC(=O)O)cc1 1777465316 NSURBDCAHVWSAG-ZHACJKMWSA-N 280.323 3.518 30 20 CHED Cc1c(NN=C[C@@H](C)c2ccccc2)cccc1C(=O)O 1776086321 MOMYXVNAXTUBLD-GFCCVEGCSA-N 282.343 3.895 30 20 CHED O=C(O)c1ccccc1NN=C1CC[C@@H](C(F)(F)F)C1 1776031886 BVOCDZVQDLKRIP-MRVPVSSYSA-N 286.253 3.515 30 20 CHED C=CCCOCCNC(=O)C[C@H](CC)c1ccc(C)cc1 155079318 BVGFDISLCAIRNS-INIZCTEOSA-N 289.419 3.588 30 20 CHED CCn1c(-c2ccc([N+](=O)[O-])cc2)nc2cc(C#N)ccc21 155097250 KVNTWPMEJMRISO-UHFFFAOYSA-N 292.298 3.503 30 20 CHED CC#CCCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 155389509 VRTKKFZQEYSJHL-INIZCTEOSA-N 295.386 3.677 30 20 CHED C=CCC[C@@H](NC(=O)c1cccnc1C)c1ccccc1 154231074 WCKGSJHHAQJFFY-QGZVFWFLSA-N 280.371 3.827 30 20 CHED CC[C@@H]1CC[C@H](C)N1CCCOc1ccc(C#N)cc1 124621366 AFCYMYXNXWDEHQ-GOEBONIOSA-N 272.392 3.590 30 20 CHED N#Cc1ccc(Oc2ccncc2C(F)(F)F)cc1 1162037986 NENJXGDXNKDPCI-UHFFFAOYSA-N 264.206 3.764 30 20 CHED C[C@@H](NCCCC(F)(F)F)c1ccc(OCC#N)cc1 130337967 OOFPYDKGZKZNOF-LLVKDONJSA-N 286.297 3.582 30 20 CHED CCCCCCCCNc1nccc(C#N)c1[N+](=O)[O-] 168501667 MMZKVNNKRWUMMK-UHFFFAOYSA-N 276.340 3.634 30 20 CHED CCCCC1CCC(C(=O)N(CC#N)CCC)CC1 44372705 BRYPVWSGNPEKGN-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc2cccnc12 44764692 QYINYBDDMMNJPF-UHFFFAOYSA-N 267.332 3.503 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(Cl)c(F)c2)c1 48074057 UHOVDLWPUZUOGV-UHFFFAOYSA-N 274.682 3.603 30 20 CHED COc1ccccc1CN(C)c1cc(Cl)ccc1C#N 62789957 AOYUTPSNCBJSQM-UHFFFAOYSA-N 286.762 3.857 30 20 CHED Cc1cc(C#N)ccc1CN[C@@]1(C)CCCC[C@@H]1C 308709388 LMJKUHLSTWFOHD-YOEHRIQHSA-N 256.393 3.925 30 20 CHED C=C(CC)COc1ccc(Br)cc1OC 308844508 OPIHCJTWNHJIHN-UHFFFAOYSA-N 271.154 3.803 30 20 CHED CN(CCC1CC1)Cc1ccc(Br)cc1C#N 310225394 GAXPSTHMOBKLCM-UHFFFAOYSA-N 293.208 3.553 30 20 CHED C=CCCCCCCNCc1ccccc1[N+](=O)[O-] 388453700 BCHQKWBAPYQWRE-UHFFFAOYSA-N 262.353 3.821 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2F)c2ccccc21 398476733 BBCHVDFRWAAXFJ-GFCCVEGCSA-N 266.319 3.821 30 20 CHED CC(=NOCc1ccccc1)c1ccc(N)cc1C 758098481 RUZLHOSJFLEUTL-UHFFFAOYSA-N 254.333 3.518 30 20 CHED CCCCCCCCCC(=O)N(C)CC1(O)CCC1 760088410 UHJLTJPDVLEVPP-UHFFFAOYSA-N 269.429 3.501 30 20 CHED N#Cc1ccccc1COc1ccc([N+](=O)[O-])cc1Cl 7007026 HKKXBFOMNJUKCY-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 26003774 IJMBGXXSHWFVPB-MLGOLLRUSA-N 281.380 3.742 30 20 CHED C#CCCCCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 119658288 OVCJMYKCJLCYON-UHFFFAOYSA-N 290.382 3.802 30 20 CHED Cn1c(CSc2ccccc2C#N)nc2ccccc21 172680121 FMWXAJZABLQFFX-UHFFFAOYSA-N 279.368 3.737 30 20 CHED C[C@H](SCCc1ccccn1)c1ccc(C#N)cc1 118445519 IBFZKEHIVXFCIW-ZDUSSCGKSA-N 268.385 3.990 30 20 CHED CN(C(=O)c1ccc(OC2CCCC2)cc1)C1(C#N)CCC1 66322126 DWFLIUBBJPSRMR-UHFFFAOYSA-N 298.386 3.526 30 20 CHED Cc1csc(-c2cccc(OC(=O)C(C)(C)C#N)c2)n1 171173540 NVZKPWTUBGQTJX-UHFFFAOYSA-N 286.356 3.574 30 20 CHED COc1ccc(CSc2ncccc2C#N)cc1Cl 301898509 WYCQYUMSIAUGRT-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C#CCCCNC(=O)N[C@H](C)c1ccc(SCC)cc1 174087796 MPXYJOQAFPOZGF-CYBMUJFWSA-N 290.432 3.572 30 20 CHED CC(C)(CNc1ccc(Cl)c(C#N)n1)c1ccccc1 111218537 HHYIMGQLFCYHFZ-UHFFFAOYSA-N 285.778 3.996 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc3nccn23)cc1C 178941412 AOTXICKQHRXDFS-CMDGGOBGSA-N 276.339 3.847 30 20 CHED C=CCCCC(=O)Nc1cc(-c2ccccc2C)nn1C 176322284 SCCAKPQXYFTAKQ-UHFFFAOYSA-N 283.375 3.690 30 20 CHED N#Cc1sc(SCc2ccco2)nc1Cl 307050876 MCXLTKLOBMBPLP-UHFFFAOYSA-N 256.739 3.553 30 20 CHED N#Cc1cc(N[C@@H]2C[C@H]3OCCC[C@H]23)ccc1C(F)(F)F 302601101 YOPJAZCYWCKGMO-MRVWCRGKSA-N 296.292 3.556 30 20 CHED CC(C)Oc1ccc(OC(=O)c2ccc(C#N)cc2)cc1 117150667 TTYUYOXQPQXBOR-UHFFFAOYSA-N 281.311 3.565 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1F 176576407 USSDVHILZCJBKT-MLGOLLRUSA-N 288.366 3.518 30 20 CHED N#Cc1ccc(F)c(CSCc2ccc(CO)cc2)c1 305794377 BWAAULSYISMOBE-UHFFFAOYSA-N 287.359 3.623 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)s1)c1nc(C)cs1 176975855 XCLZOIZRXOTUSX-CQSZACIVSA-N 291.445 3.800 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)CC[C@H]1C 179524845 VOHMXKZEOAAWIZ-WCQYABFASA-N 271.364 3.519 30 20 CHED C[C@@H](Sc1ccccc1C#N)C(=O)Nc1ccccc1 173708947 JCAMWNYLZSGXKM-GFCCVEGCSA-N 282.368 3.678 30 20 CHED C=CCn1c(SCC(F)F)nnc1-c1cccs1 123154922 FBDXTKZYMNABPY-UHFFFAOYSA-N 287.360 3.550 30 20 CHED N#Cc1cccc(N2CCC[C@@H](c3ccccc3)CC2)n1 301260101 FWOCYDOMQYKYDL-MRXNPFEDSA-N 277.371 3.727 30 20 CHED N#Cc1cnc2ccccc2c1NCc1ccccc1F 37413191 DHAVTXGXRVPSJJ-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CC[C@](C)(C#N)NC(=O)c1sc2ccc(F)cc2c1C 127028938 MNPQSJFKNFCEEE-OAHLLOKOSA-N 290.363 3.771 30 20 CHED CC#CCNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 182303192 ARJXUNIDDXRFBU-UHFFFAOYSA-N 292.810 3.694 30 20 CHED C#CCCCNC1CCC(O)(c2ccc(C(C)C)cc2)CC1 182102657 WEVADAMTTWVUDM-UHFFFAOYSA-N 299.458 3.943 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](C)Sc1ccccc1 188462040 DJCZLVRFDAPPBO-BBRMVZONSA-N 277.433 3.886 30 20 CHED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1F 185809883 DJAOEACCZQXBGM-KBPBESRZSA-N 274.383 3.775 30 20 CHED C=CC[C@@H](CC)NC(=O)c1oc2ccccc2c1C 410125891 RGIIHRQFHWYMDR-GFCCVEGCSA-N 257.333 3.826 30 20 CHED CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(C#N)c1 121119720 HPWIGJGJGFNEBJ-INIZCTEOSA-N 294.358 3.568 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1ncc(C)s1 180881126 HHTSTBQHEGGCJN-ZYHUDNBSSA-N 281.425 3.557 30 20 CHED C[C@@H](CCC#N)Sc1nnc(-c2cccs2)o1 188239977 BSBROUDKXGTMLA-QMMMGPOBSA-N 265.363 3.582 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)CC1(C)C 483681631 IDPBQLNUVJNTIY-GFCCVEGCSA-N 260.356 3.565 30 20 CHED CC[C@@H](C)CN(CC)C(=O)c1cccc(SCC#N)c1 79547322 XLMORRRNFYLXFY-CYBMUJFWSA-N 290.432 3.810 30 20 CHED C#CCOc1ccc([C@H](C)Nc2cc(C)ccn2)cc1 182640360 QRIXQKFBOVWRMP-AWEZNQCLSA-N 266.344 3.575 30 20 CHED C[C@@H](N[C@H]1CCc2ccccc2C1)c1ccc(C#N)cc1 35256440 FXXYXZXIZABYDN-KUHUBIRLSA-N 276.383 3.766 30 20 CHED COc1cccc(C[C@H](NCC(C)(C)CC#N)C2CC2)c1 414164279 KCVJPDCUEPVOMW-KRWDZBQOSA-N 286.419 3.546 30 20 CHED N#Cc1cc(COc2cccc(F)c2F)ccc1F 158584195 XZJUZYNKKBPAGH-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(Cl)cc1F 189270953 SDYWUYAKDPWQJY-UHFFFAOYSA-N 281.758 3.864 30 20 CHED C=CCSCCNCc1ccc(C(F)F)cc1 236130936 ZZZVLFHAPJDDNM-UHFFFAOYSA-N 257.349 3.633 30 20 CHED CC1(C[S@@](=O)Cc2cccc(C#N)c2)CCCCC1 414259966 GDJAYJQKBITFPQ-IBGZPJMESA-N 275.417 3.777 30 20 CHED COCC[C@H](C)CN[C@@H]1CCCCc2cc(C#N)ccc21 414206739 QCHLAXGHRPQPFP-KBXCAEBGSA-N 286.419 3.588 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c[nH]1 181352063 UAZNDBFUXREXNJ-QGZVFWFLSA-N 299.418 3.851 30 20 CHED CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 181551850 RTVIHBDBRUQWDL-RDTXWAMCSA-N 280.371 3.597 30 20 CHED C=CCSCCNC(=O)[C@H](C)Cc1cccc(Cl)c1 124011967 YIOQUMHAMPTQMP-GFCCVEGCSA-N 297.851 3.554 30 20 CHED CC(C)c1nccn1CC#Cc1cccc(Cl)c1 502890903 YREQMAKTVGODLD-UHFFFAOYSA-N 258.752 3.712 30 20 CHED N#CC1(C(=O)Oc2cccc(Cl)c2F)CCCCC1 185932965 LKGCKHFDQOGJDH-UHFFFAOYSA-N 281.714 3.859 30 20 CHED C=CCn1c(N2CC[C@H](CC(C)C)C2)nnc1C(C)(C)C 508728140 BZLSZWPXDMOFDM-CQSZACIVSA-N 290.455 3.634 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 185002988 AYJQXYLVUDPXNI-KRWDZBQOSA-N 285.387 3.552 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1C=CCCC1)c1ccccc1 188537813 KLWSJYXTKQKMGW-IRXDYDNUSA-N 269.388 3.961 30 20 CHED C=CCOc1ccc(CN(CC(C)C)C2CC2)cc1OC 508030780 ZOTSCKIGKNKGTP-UHFFFAOYSA-N 289.419 3.880 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(Cl)c(Cl)c1 42530410 UWEXVYVBVUHQPD-UHFFFAOYSA-N 285.174 3.758 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 135124300 XUSFSWOVRXGLOO-GOSISDBHSA-N 297.402 3.637 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Sc1ccc(C)cc1 410119934 FMCDDWQSOVUYPK-ZIAGYGMSSA-N 277.433 3.947 30 20 CHED OC(=Nc1cccc2c[nH]nc12)c1coc(C2CCCC2)n1 328768391 BQBCWOBHSQFLIZ-UHFFFAOYSA-N 296.330 3.845 30 20 CHED C#CCSCCN[C@H](CC)c1ccc(Cl)cc1 222111534 IDVHJNYUXXQZGE-CQSZACIVSA-N 267.825 3.747 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1ccc2c(c1)CCCC2 410128760 CYTYKHRNPAENBT-KRWDZBQOSA-N 271.404 3.579 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/CC2CCC(C)(C)CC2)C1 328933888 IUHJUTCFMFJIQY-AAEUAGOBSA-N 280.412 3.914 30 20 CHED N#C[C@@H](C(=O)c1ccc2ccccc2c1)c1ccccn1 46439723 FHODIJJTUCYFNN-MRXNPFEDSA-N 272.307 3.725 30 20 CHED C#CCCOc1ccc(CNc2cccc(C#N)c2)cc1 132877736 YBNGTBIWJYFEII-UHFFFAOYSA-N 276.339 3.572 30 20 CHED C=CCCOCC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 138749509 IMZLCLZXCGLRLE-MRXNPFEDSA-N 293.382 3.622 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(c2ccncc2)CC1 191664359 IZKSPSMMHYBAFN-OAHLLOKOSA-N 291.398 3.894 30 20 CHED CC[C@@H](CNCC(C)(C)CCC#N)Oc1cccc(F)c1 84674682 FCSDQTPWZBGOJO-HNNXBMFYSA-N 292.398 3.903 30 20 CHED C[C@H](CCc1ccccc1F)NCc1ccc(C#N)s1 421354662 XHCWHHSNWJCXBX-GFCCVEGCSA-N 288.391 3.870 30 20 CHED COc1ccc2occ(/C(O)=N/[C@@H]3CC=CCC3)c2c1 328707535 LUTBZMYKKKWGGG-LLVKDONJSA-N 271.316 3.855 30 20 CHED CC(C)[C@]1(C)C[C@@H]1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425558753 FLBQBFLSXGOLQC-SKDZVZGDSA-N 299.418 3.695 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCSc2ccccc21 424532170 AXOGAGDNPLYMFR-CYBMUJFWSA-N 275.417 3.942 30 20 CHED C[C@@H](C#N)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 336282618 DLPDXPBKFRDXMN-QMMMGPOBSA-N 285.174 3.504 30 20 CHED CC[C@H](C)CNC(=O)Nc1ccc(CC#N)cc1Cl 421114973 POHWBHVEIKPACH-JTQLQIEISA-N 279.771 3.574 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1C(F)(F)F 424195069 CDSQMGRINDRHKK-WCQYABFASA-N 282.309 3.796 30 20 CHED C=CCNC(=O)c1ccc(NCc2cc(C)cc(C)c2)cc1 194307002 VVWICYPVBGGLLJ-UHFFFAOYSA-N 294.398 3.831 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(Cl)cc1[N+](=O)[O-] 50444086 ZBTBMWGUTNYCLG-UHFFFAOYSA-N 295.770 3.620 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccccc2C#N)c1 194590085 WNKWRIQIPCLGII-VQHVLOKHSA-N 265.287 3.902 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(F)ccc1OCC1CC1 191774736 WGWHKKPRXAEDQR-UHFFFAOYSA-N 292.354 3.654 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](OC)c1ccc(Cl)cc1 424679255 CQKXDGHQHSVEMG-CQSZACIVSA-N 295.810 3.746 30 20 CHED CC(=O)c1ccc2c(c1)CN([C@H](C)c1ccc(C#N)cc1)C2 335179618 WKRCEBZCDWBYIE-CYBMUJFWSA-N 290.366 3.838 30 20 CHED C#CCCCC(=O)Oc1c(C)cc(F)cc1Br 193804544 HDKKJVQPMHPEAX-UHFFFAOYSA-N 299.139 3.606 30 20 CHED CCCC(C)(C)N/C(O)=N/[C@@H]1CCO[C@@H](CC(C)C)C1 330749609 UKOLMDXFEWGPEZ-KGLIPLIRSA-N 284.444 3.662 30 20 CHED C=CCSc1ccccc1C(=O)NCc1ccncc1C 428171697 USSNAQSYTMPORX-UHFFFAOYSA-N 298.411 3.598 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1nc(C(C)C)no1 421204093 RZHFQDAUOWSLLP-UHFFFAOYSA-N 291.738 3.606 30 20 CHED CC(C)(CCC#N)CN1CC[C@H](c2ccc(F)cc2)C1 93335762 MYCHIPKAJWBPHC-HNNXBMFYSA-N 274.383 3.945 30 20 CHED CC1(C#N)CCC(NCc2ccc(F)cc2F)CC1 336222057 GFYFATBNUICXCY-UHFFFAOYSA-N 264.319 3.527 30 20 CHED O=C(/C=C\c1cccnc1)c1cccc(C(F)(F)F)c1 96766638 RLUCGWHVFSOBGQ-SREVYHEPSA-N 277.245 3.997 30 20 CHED N#Cc1ccc(CN2CCCC[C@@H]2Cc2ccccc2)o1 92759808 LNQZNLZRWKLGDV-MRXNPFEDSA-N 280.371 3.748 30 20 CHED COCCC(C)(C)/N=C(/O)c1cc(C(C)C)oc1C 330598297 BEUQSBUBINHHOF-UHFFFAOYSA-N 267.369 3.831 30 20 CHED N#Cc1ccnc(NCc2ccccc2Cl)c1Cl 236037041 MIBHKGQGVLOGGX-UHFFFAOYSA-N 278.142 3.872 30 20 CHED Cc1nc([C@H](C)Sc2ccc(C#N)cc2Cl)no1 334906595 TVFDSLAZXXGFKQ-ZETCQYMHSA-N 279.752 3.756 30 20 CHED C=C(C)COc1cccc(NC(=O)c2[nH]ccc2C)c1 435699717 ABRMTJSXOVXLEG-UHFFFAOYSA-N 270.332 3.530 30 20 CHED Cc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1C#N)C2 336363547 YGWVURHGNLGNIH-UHFFFAOYSA-N 295.317 3.554 30 20 CHED CC(C)c1ccoc1/C(O)=N/[C@@H](CO)CC1CCCC1 330483382 UTKGONCNRODROG-CYBMUJFWSA-N 279.380 3.649 30 20 CHED C=C(C)COC(=O)CCc1cccc(Br)c1 98070071 JTASGUWDZFBVRI-UHFFFAOYSA-N 283.165 3.501 30 20 CHED C=CCC[C@H](NCCOC1CCC1)c1ccccc1 346882040 AFMTYENPOLCRPE-KRWDZBQOSA-N 259.393 3.853 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(NC[C@@H]2C[C@H]2C)cc1 437264573 YYDTWSDOLWDEFZ-ZBFHGGJFSA-N 284.403 3.569 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(C(C)=O)c1 342622832 KXWXLPSKUZCDSP-UHFFFAOYSA-N 289.375 3.591 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1nc(C2CCCCC2)no1 347196301 AKEFZQKTKDEDSV-GFCCVEGCSA-N 290.411 3.708 30 20 CHED CCc1ccc(C(=O)N(C)c2ccc(C#N)cc2F)cc1 608799334 YFFMLRPMCNSPBP-UHFFFAOYSA-N 282.318 3.536 30 20 CHED CCCC[C@H](CCC)Sc1[nH]c(=N)c(C#N)cc1C#N 520724417 ODBBAUZAVFKPFC-ZDUSSCGKSA-N 288.420 3.689 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccc(F)cc1F 606923465 PCQOGBYOBRPWEQ-UHFFFAOYSA-N 296.361 3.853 30 20 CHED C=CCOCCCC(=O)N1CCCC(C)(C)[C@H]1CC=C 347478592 FKFFLCGKIHVBIB-OAHLLOKOSA-N 279.424 3.563 30 20 CHED C=CCSCc1cc(Cl)c2c(c1)OCCCO2 522283564 PSAISWPYSQNCDH-UHFFFAOYSA-N 270.781 3.921 30 20 CHED Cc1ccc(CNc2ccc(F)c(C#N)c2)c(C)c1 51635014 YRBNHSKRZNMNEI-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CCCC[C@@H](CC)CC(=O)NCC#Cc1ccccc1 604973313 QKAQJLSIGJCVOG-MRXNPFEDSA-N 271.404 3.761 30 20 CHED CCOCc1cccc(N=Cc2cccc(OC)c2O)c1 255312065 YEHRQYATQCZENK-UHFFFAOYSA-N 285.343 3.688 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NCC1(CC#N)CC1 430736762 UXVCOVUCZKZRIR-MRXNPFEDSA-N 256.393 3.537 30 20 CHED Cc1ncccc1/C=C\C(=O)c1c(Cl)nc2ccccn12 255047987 UQSXBRPKGZZDEF-FPLPWBNLSA-N 297.745 3.587 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN(C[C@H](C)CCC#N)CC3 602448724 OIVHHLWHYBSTEB-CQSZACIVSA-N 281.403 3.774 30 20 CHED Cc1cccc2cc(C(=O)NCC3(CC#N)CC3)sc12 342298865 VOLFVVWQHOXFPL-UHFFFAOYSA-N 284.384 3.633 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)C1CCCCC1 254948818 KINARKNLPXESCA-SREVYHEPSA-N 265.334 3.819 30 20 CHED N#CCCCNC(=O)N1CCCCC[C@H]1c1ccccc1 345815611 LXEKCPVSCIJYAC-INIZCTEOSA-N 285.391 3.617 30 20 CHED C[C@H](c1ccccc1)n1cc(CC2(C#N)CCCCC2)nn1 603178939 LDKVFVQSVSYDPI-OAHLLOKOSA-N 294.402 3.904 30 20 CHED Cc1cc(CN(Cc2cccnc2)C(C)C)ccc1C#N 349282226 PIJXSIDUBYJHHP-UHFFFAOYSA-N 279.387 3.672 30 20 CHED CCC(C#N)(CC)c1nc([C@H]2CCc3ccccc32)no1 528135719 KLKNADXFGPWYNP-AWEZNQCLSA-N 281.359 3.729 30 20 CHED C=CCC(CC=C)c1nc(-c2cccnc2C)no1 347558789 CRJCZSYDNXDJPM-UHFFFAOYSA-N 255.321 3.676 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](C)c2ccco2)c1 607490444 XWPMXVHVLUUPSE-CYBMUJFWSA-N 285.343 3.977 30 20 CHED Fc1ccc(CON=Cc2ccccc2F)c(F)c1 255140715 TYDWZWLCKRFXSU-UHFFFAOYSA-N 265.234 3.655 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 448670066 YWOARWIAJGOVFW-OKZBNKHCSA-N 296.414 3.733 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2cc(F)cc(F)c2)cn1 255691238 ARAKTLLCCSXBRO-ARJAWSKDSA-N 276.286 3.638 30 20 CHED CCN(CC)[C@@H](CNC[C@@H](C)CCC#N)c1ccsc1 602510762 NISGGLSUFFYQJG-HOCLYGCPSA-N 293.480 3.660 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccnc2C)cc1C 255632042 RRDUKELDIQRWRQ-HJWRWDBZSA-N 251.329 3.903 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1C[C@]1(C)C(C)C 602387948 UFFKDJBZCFSMSY-RHSMWYFYSA-N 288.366 3.673 30 20 CHED CCN(CCC1CC1)C(=O)c1cccc(SCC#N)c1 354850250 NHAVLBQGTFMADZ-UHFFFAOYSA-N 288.416 3.564 30 20 CHED C=CC[C@H](CC)Nc1ncnc2c(F)c(OC)ccc12 440639017 NANIGIKEGNDWGT-JTQLQIEISA-N 275.327 3.544 30 20 CHED CC(C)CC[C@@H](C)NC(=O)c1cc2ccccc2n1CC#N 609160972 IZIWLJFWYFPTAV-CQSZACIVSA-N 297.402 3.719 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cccc(OC(F)F)c1 537233105 ZKOJSFQTYRSVAQ-LBPRGKRZSA-N 297.345 3.692 30 20 CHED C=CCCCC(=O)NC[C@@H](CC)Oc1cccc(Cl)c1 440631805 AWQWJKSWGYRJQP-CQSZACIVSA-N 295.810 3.970 30 20 CHED C=CCC1(C(=O)Nc2nnc(-c3ccccc3)s2)CCC1 357844450 TUFMYOLPEWQPLE-UHFFFAOYSA-N 299.399 3.890 30 20 CHED CC1(C)CCC[C@H](NC(=O)Nc2ccc(CC#N)cc2)C1 443584710 XXMDTLCNYOJODZ-HNNXBMFYSA-N 285.391 3.843 30 20 CHED CC[C@@H](CC(=O)Nc1cc(CC#N)ccn1)c1ccccc1 532433630 KRMIUYCAXIAUJB-HNNXBMFYSA-N 293.370 3.670 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1C[C@@H]1C1CCCCC1 537199392 NYPYOPLNAGOYGA-SJORKVTESA-N 293.451 3.834 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CC1CC(F)(F)C1 449798176 PMBXXMSOHNLOLD-UHFFFAOYSA-N 297.320 3.776 30 20 CHED C=CC[C@H]1CCCN(C(=O)CNc2ccccc2Cl)C1 617785124 DPYVHDQFRWDLEP-ZDUSSCGKSA-N 292.810 3.567 30 20 CHED N#Cc1cnc(N[C@H]2CCc3cc(C#N)ccc32)c(Cl)c1 618694398 CCLYTIMOAMVJIT-HNNXBMFYSA-N 294.745 3.578 30 20 CHED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCCC#N 359986903 UAKWDUFULNXPKJ-NSHDSACASA-N 298.308 3.919 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1C(=O)Nc1ccc(CC#N)cc1 448594280 LDSZOSATKVTKMG-IEBWSBKVSA-N 290.366 3.669 30 20 CHED COc1cc(CN(C)[C@H]2CCc3ccccc32)ccc1C#N 442802981 UVCKOTHVZIXJNS-SFHVURJKSA-N 292.382 3.686 30 20 CHED C=CCC1(CNCc2cnc(C)s2)CCCC1 449603422 GUBCQJSKVHJELN-UHFFFAOYSA-N 250.411 3.678 30 20 CHED C[C@H](C(=O)NCC1(C#N)CC1)c1c(Cl)cccc1Cl 619545837 BAUAQYVZMANBDW-VIFPVBQESA-N 297.185 3.517 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2CF)c(C(F)(F)F)c1 354520660 LFGADUNYKGDFLV-LBPRGKRZSA-N 286.272 3.511 30 20 CHED CC[C@H](NCC1CCSCC1)c1ccc(C#N)cc1 618568512 ZGEQETZMXBUORK-INIZCTEOSA-N 274.433 3.742 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C3CC3)cc2)C1 617777631 TXZQLPPRCHCEHY-CQSZACIVSA-N 269.388 3.992 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCC1 264506058 HTZISQNFEWRWMS-NSHDSACASA-N 274.389 3.677 30 20 CHED C=CCCN1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 532244510 XBCZYDXBETYOIB-OALUTQOASA-N 284.447 3.549 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 612241855 FEYQBUBNFAUIAA-LJQANCHMSA-N 292.382 3.535 30 20 CHED Cc1ccnc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 616757986 UTJXJJGEKVDFMJ-MOPGFXCFSA-N 291.398 3.662 30 20 CHED CCc1noc(C)c1CSCc1ccc(C#N)cc1 268097354 BBPLIUVZHCCQSV-UHFFFAOYSA-N 272.373 3.851 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc([C@H](C)c2ccccc2C)no1 453153391 CQUCGJJDZJMINL-YUELXQCFSA-N 284.359 3.588 30 20 CHED C[C@@H](Cc1cccs1)N[C@@H]1CCc2cc(C#N)ccc21 618806477 RDBIUDXDZWDXDE-YVEFUNNKSA-N 282.412 3.828 30 20 CHED C=CC[C@H]1N(C(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)CCCC1(C)C 456035999 JIJRGXJHLCBHQO-ZJIFWQFVSA-N 291.435 3.537 30 20 CHED C=CCC1(C(=O)N2CCOCC3(CCC3)C2)CCCCC1 450601940 CIOVRCJZYYOANK-UHFFFAOYSA-N 291.435 3.542 30 20 CHED CC(C)(C)C1CC(C(=O)N[C@@H](C#N)c2ccccc2F)C1 457523820 OGDLYVYIQVBWIL-QOZQQMKHSA-N 288.366 3.579 30 20 CHED COCCN(Cc1ccc(Cl)cc1C#N)C1CCCC1 614160620 OCJKAYRTQXVJNX-UHFFFAOYSA-N 292.810 3.603 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1Cl 618784791 VBSVUABMHXKXAT-MRXNPFEDSA-N 296.757 3.629 30 20 CHED C=CCC1(CN[C@@H](CC)c2nccn2C)CCCC1 453378250 QCCLTMWYJJKJNA-AWEZNQCLSA-N 261.413 3.597 30 20 CHED C=CCCC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 364088617 OIBGYASHNWLTLV-UHFFFAOYSA-N 298.411 3.974 30 20 CHED C[C@H](NC1(c2ccccc2)CC1)c1ccc(OCC#N)cc1 271952759 DYVWGTXBJIFVKG-HNNXBMFYSA-N 292.382 3.929 30 20 CHED CC[C@@H](Cc1ccccc1)Nc1nccc(C)c1C#N 544143878 RWMMIQSNXBFDFM-HNNXBMFYSA-N 265.360 3.695 30 20 CHED C=C(CC)CNc1ccc(S(=O)(=O)C2CCCC2)cc1 540194630 XWGYVDOTOUEMOY-UHFFFAOYSA-N 293.432 3.781 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@@]2(CCSC2)C1 451962040 FHMGGRGEUYVRPK-WMLDXEAASA-N 286.444 3.838 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2cccc(Cl)c2n1 278852221 SSEKHRYYIMGFNZ-UHFFFAOYSA-N 287.750 3.767 30 20 CHED N#CCOc1ccc(CNC2(c3ccccc3F)CC2)cc1 271851040 XPCYIZRWMDOQTJ-UHFFFAOYSA-N 296.345 3.507 30 20 CHED C=C(CC)CNC(=O)C(C)(C)c1cccc(Cl)c1F 456813220 PSXOKCNLBSPARN-UHFFFAOYSA-N 283.774 3.839 30 20 CHED N#CCCCNCc1ccc(-c2cccc(F)c2)s1 273077429 PWGDQFIHTYEEEN-UHFFFAOYSA-N 274.364 3.948 30 20 CHED C=CCC[C@@H](CO)N[C@H]1CCSc2cc(C)c(C)cc21 453359490 OVQXSDHFGTXAMQ-HOCLYGCPSA-N 291.460 3.757 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cccc(C2CC2)c1 452196094 RILQDYFFLGADLI-KGLIPLIRSA-N 287.403 3.722 30 20 CHED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCCOC1 360868662 AELVNDIXCTZVAA-UCLAIMLFSA-N 298.430 3.730 30 20 CHED C=C[C@](C)(CC)C(=O)NC1CCC(CSC)CC1 452484945 VTQUMWJJMQRUEB-SSDMNJCBSA-N 269.454 3.627 30 20 CHED C=CCC1(C(=O)NCc2c(F)cc(F)cc2F)CCCC1 452142335 MKNKBOLYIIIMJK-UHFFFAOYSA-N 297.320 3.857 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](Cc1nc(C)no1)c1ccccc1 277089015 KHYZSCHUPXEJLT-ZQIUZPCESA-N 299.418 3.852 30 20 CHED N#Cc1cc(C(=O)NC2(c3ccccc3)CC2)ccc1Cl 542531471 JSJKYKSUSBFMNZ-UHFFFAOYSA-N 296.757 3.631 30 20 CHED C=CCN(C(=O)Cc1cccc(OC)c1Cl)C(C)(C)C 622945625 LLESACGHFKDZBL-UHFFFAOYSA-N 295.810 3.704 30 20 CHED C=C(C)CN(CC)C(=O)c1scc(C)c1Cl 276649712 YUPIRNCLSOZKHK-UHFFFAOYSA-N 257.786 3.748 30 20 CHED C=CCN(C(=O)c1oc2c(C)cccc2c1C)C1CC1 540133728 VBUNXPNHVKXBIO-UHFFFAOYSA-N 269.344 3.840 30 20 CHED CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 271916334 GIJASDUNEGYLPL-SCLBCKFNSA-N 298.361 3.736 30 20 CHED C=C(CC)CSCC(=O)Nc1ccc(CC)cc1 540193278 NSIQZASJWJFYAK-UHFFFAOYSA-N 263.406 3.887 30 20 CHED CN(CC1CCCCC1)C(=O)c1ccc(C#N)c(Cl)c1 548299418 WPGLWBGLGLWJRQ-UHFFFAOYSA-N 290.794 3.864 30 20 CHED C#CCCCCC(=O)N1CCCCC[C@H]1c1cccn1C 271352388 GSHAHNNHPDEGJS-KRWDZBQOSA-N 286.419 3.662 30 20 CHED C=CCCN[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 273328549 RQTUMWPVHCTVIU-LBPRGKRZSA-N 271.364 3.526 30 20 CHED CCc1ccc([C@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 464154715 XABFVPGTFNGNOY-SCLBCKFNSA-N 286.419 3.797 30 20 CHED Fc1ccc(C#CCSCc2nc3ccccc3[nH]2)cc1 464077847 WKYJHMCUSMJHNF-UHFFFAOYSA-N 296.370 3.987 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC)c1ccc(OC)cc1 466525596 BNCIRCOQCHMMKR-GOEBONIOSA-N 275.392 3.660 30 20 CHED C=C(C)Cn1c(-c2ccoc2)nnc1N(C)[C@H](C)C(C)C 460811365 VEHICYVMEVRSLE-CYBMUJFWSA-N 288.395 3.595 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc2ccccc2n1 280958577 YLCVLCDHCMGTIG-ALKREAHSSA-N 296.414 3.867 30 20 CHED Cc1ccnc(N2CC(C)(C)[C@H]2c2cccs2)c1C#N 288176527 IUKBHIQFEWBCAR-CQSZACIVSA-N 283.400 3.911 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)NC2(C#N)CCC2)c1 285044021 JMCQCFVISMWDTQ-CQSZACIVSA-N 284.403 3.551 30 20 CHED COc1cc(C#N)ccc1CSCCCCCF 551004084 VIMJZSFLRWDPCP-UHFFFAOYSA-N 267.369 3.940 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(C)c1F 639404335 MVWDYDGOSKOSDA-QGZVFWFLSA-N 296.345 3.887 30 20 CHED C=C(C)CCNc1ccc(C(C)(C)C(=O)OC)cc1 558268453 SKTZUJIVKMXOGM-UHFFFAOYSA-N 261.365 3.515 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc(C)c(F)cc1Cl 288939106 WEOBAXSYDPOPER-HNNXBMFYSA-N 299.773 3.955 30 20 CHED C#CCCCCC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 378401597 XTRCGRROPPZQJT-SJLPKXTDSA-N 283.415 3.660 30 20 CHED Cc1cccc(F)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 464278999 FPTZISNLKQPNRB-LBPRGKRZSA-N 282.318 3.748 30 20 CHED Cc1cc(C#N)cnc1-c1nc(-c2cccc(Cl)c2)no1 550958259 RCRGVKPEMQJFNO-UHFFFAOYSA-N 296.717 3.632 30 20 CHED CC[C@H]1CCCCN1C(=O)c1cc(C#N)ccc1Cl 285981976 FIZMBULMITVPAN-LBPRGKRZSA-N 276.767 3.616 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(C#N)cc1Cl 469975120 SPFRCJGRLBKSCM-JQWIXIFHSA-N 276.767 3.976 30 20 CHED C=CC[C@H](CC)NC1CCN([C@H]2CCCC[C@H]2C)CC1 467404091 JFHAKKSGGFXKPY-RYRKJORJSA-N 278.484 3.974 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ccc(F)cc1C#N 462864893 WZWXLDVCDYXICF-BLLLJJGKSA-N 290.382 3.951 30 20 CHED Cc1cccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)c1 559963291 GLRMHASFOKPAFC-UHFFFAOYSA-N 291.354 3.678 30 20 CHED N#Cc1ccc(F)c(COC(=O)/C=C\c2ccsc2)c1 804385471 MWGWVJRKTGCBMI-RQOWECAXSA-N 287.315 3.515 30 20 CHED C[C@@H]1/C(=C/c2ccc(C(=O)O)cc2)C(=O)c2ccccc21 809155908 HSHBEFXRUKZUQH-OKHBPPCESA-N 278.307 3.768 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@@H](C)CCC 807571865 RGQFIQBLKFJZSO-AWEZNQCLSA-N 254.418 3.953 30 20 CHED C#CCCCCCC(=O)N1CCc2cc(Cl)ccc21 803483297 KFUKAQLSQQBCFR-UHFFFAOYSA-N 275.779 3.813 30 20 CHED C=CCN=c1[nH]c(-c2c(F)cc(F)cc2F)c(C)s1 476897523 MNVHPCQJKXKKIN-UHFFFAOYSA-N 284.306 3.556 30 20 CHED C=CCOCCCSCc1nc2ccccc2nc1C 479610735 FKUNIHNFBVCKMD-UHFFFAOYSA-N 288.416 3.764 30 20 CHED C=CCN(C(=O)C(C)(C)c1ccc(Cl)cc1F)C1CC1 475810346 PSHZPMHICCSBBY-UHFFFAOYSA-N 295.785 3.934 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCOC[C@@H]1C 804617889 MKTLHERWTYROPG-GJZGRUSLSA-N 269.429 3.526 30 20 CHED CC(C)C[C@@H](C)C=NNc1nccnc1C1CCC1 807994908 WPNVEQVXDPUMNM-GFCCVEGCSA-N 260.385 3.824 30 20 CHED Cc1nsc(Oc2cccc(Cl)c2)c1C#N 567782585 RZTQBVZDRRNSIP-UHFFFAOYSA-N 250.710 3.769 30 20 CHED Cc1ccc([C@@H](C)CN=c2[nH]ccc(C#N)c2Cl)cc1 566381354 OIDFUXFVWKOQTN-LBPRGKRZSA-N 285.778 3.553 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCCCC 471492994 ZBMROVVWYFYITP-UHFFFAOYSA-N 274.408 3.965 30 20 CHED CCC[C@H](CC)NC(=O)C[C@H](CC#N)c1ccccc1 475320823 WXIHSLKJTWWASH-HOTGVXAUSA-N 272.392 3.769 30 20 CHED CSCC(C)(C)C(=O)O[C@@H](C)c1cccc(C#N)c1 800312916 WKWYCJPCIIOUTO-NSHDSACASA-N 277.389 3.552 30 20 CHED C[C@H]1CN(CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 471022403 MZFSNLTUDDWHRN-KXBFYZLASA-N 292.382 3.630 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCCC[C@@H]1SCC 472780803 ASVMTELKYLHGET-KGLIPLIRSA-N 284.469 3.706 30 20 CHED C[C@H](C#N)OCCS[C@H](C)c1ncc(C(C)(C)C)o1 802751564 LADYWYGPTSXOLP-GHMZBOCLSA-N 282.409 3.695 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)c1noc(COC(C)C)n1 291028294 YGQWBGKZCORJHM-KGLIPLIRSA-N 295.427 3.780 30 20 CHED C#CCCCC(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C 803600164 KNNVXUZOXJTIPZ-INIZCTEOSA-N 291.822 3.999 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2Cc3ccccc3O2)CCCC1(C)C 470267377 PUPORJDOQQOGNT-IRXDYDNUSA-N 299.414 3.583 30 20 CHED C[C@@H](/N=C/c1ccccc1O)[C@H]1OCCc2sccc21 292192148 ZBQZGRQRHGYYPY-XWNGQRQQSA-N 287.384 3.575 30 20 CHED C[C@@H](C#N)OCCN[C@H]1CC(C)(C)CCc2ccccc21 801953690 UMZBMHYXGBZSEL-YOEHRIQHSA-N 286.419 3.608 30 20 CHED CCC(=NN[C@@H]1CCSC1)c1cccc(Cl)c1F 808003610 QQAMUUJJICMIIZ-SECBINFHSA-N 286.803 3.688 30 20 CHED C=CCOCCCN(Cc1ccccc1)[C@H](C)C1CC1 470723000 LQHXQRASPWZJHA-MRXNPFEDSA-N 273.420 3.880 30 20 CHED C=CCOCCCc1nc(-c2ccc(C)c(Cl)c2)no1 296407111 KSMSNUBBKHKVDE-UHFFFAOYSA-N 292.766 3.834 30 20 CHED CCC[C@H](C)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 809360138 VORIBNZOBOZCSL-WFASDCNBSA-N 294.358 3.695 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1cc2ccccc2o1 295429131 WLARMFZCSAASLI-UHFFFAOYSA-N 257.333 3.603 30 20 CHED CC(C)CC[C@@H]1CCCC1=NN[C@@H]1CCSC1 808001536 LSGBSCPYNWVDMP-QWHCGFSZSA-N 254.443 3.674 30 20 CHED C#Cc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1 809567111 TWPAFUNGAUCUSY-HXUWFJFHSA-N 291.394 3.632 30 20 CHED C[C@@H]1CCCN(c2ccc(CNCCC#N)cc2Cl)C1 819291434 UYNRFPRSLNOOJN-CYBMUJFWSA-N 291.826 3.580 30 20 CHED Fc1cc(F)cc(NN=Cc2nc3c(s2)CCCC3)c1 814812991 DYEQWMXCEUSMLR-UHFFFAOYSA-N 293.342 3.746 30 20 CHED CCOc1ccc(NN=Cc2ccc(N(C)C)cc2)cc1 814985024 ZNOHBSKUTNMAKH-UHFFFAOYSA-N 283.375 3.597 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCC[C@H]1CC 489826101 OAGUWFFYFVCQDG-ZIAGYGMSSA-N 251.414 3.921 30 20 CHED COc1ccc(C(C)=NNc2ccccc2F)cc1 812459249 UDZSIIJCLXMLQU-UHFFFAOYSA-N 258.296 3.670 30 20 CHED CC(=NNc1ccc(F)cc1)c1cccc(CN(C)C)c1 814693527 VOMOPIHFUQAAAG-UHFFFAOYSA-N 285.366 3.723 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cc(F)c(N)c(F)c1 814815185 PKWPZCNXLQJKGE-SNVBAGLBSA-N 289.329 3.622 30 20 CHED C#C[C@H](NCc1ccccc1OC)c1ccc(Cl)cc1 811517338 OVXRGRADIVEVCN-INIZCTEOSA-N 285.774 3.813 30 20 CHED Cc1cc(OC(=O)c2ccc(C(C)C)cn2)ccc1C#N 813234304 MWXCYHVIDSWIHP-UHFFFAOYSA-N 280.327 3.604 30 20 CHED C=CCn1c(CC)nnc1N1CCCC[C@@H]1c1ccccc1 570761881 XBCVZHUJVYLBKL-MRXNPFEDSA-N 296.418 3.758 30 20 CHED C=CCC1(NCc2ccc(C)c(C)c2)CCOCC1 657633335 UKPIOLAUQWRBBO-UHFFFAOYSA-N 259.393 3.518 30 20 CHED CCCCCCCCNC(=O)[C@H]1CCC[C@H](OC)C1 814414256 UMEHWZPFAPFRGK-GJZGRUSLSA-N 269.429 3.668 30 20 CHED N#CCCOc1ccc(-c2cnc3ccccc3n2)cc1 571466201 OTAAOZFVYWHRLO-UHFFFAOYSA-N 275.311 3.589 30 20 CHED Cc1cc(CN[C@@H]2CCCO[C@@H]2CC(C)C)ccc1C#N 488078737 RJFMTFJWHAEBNX-QZTJIDSGSA-N 286.419 3.550 30 20 CHED C#C[C@@H](NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1)C(C)C 814389425 HSCIUOMEFNVPSE-SJORKVTESA-N 296.414 3.581 30 20 CHED N#C[C@H](C(=O)[C@H]1CC=CCC1)c1cc(C(F)(F)F)ccn1 813211701 ORNGEYQRWHLFIO-JQWIXIFHSA-N 294.276 3.633 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(C)=C(C)C1 577954714 PEUYEYDBZAKBAM-CQSZACIVSA-N 283.375 3.675 30 20 CHED C=CCC(C)(C)CNCc1ccc(O[C@H](C)C#N)cc1 815142018 MBAQLIVQBXNIMJ-CQSZACIVSA-N 272.392 3.669 30 20 CHED COc1cccc(NN=C(C)[C@H](C)CCCCC(=O)O)c1 814778615 OBYMBYRULSBEPW-GFCCVEGCSA-N 292.379 3.764 30 20 CHED CC/C(C)=C(/C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 819736330 HXMKPOQLZTYVSF-DINCDJDBSA-N 270.376 3.824 30 20 CHED CCOC(=O)C[C@H](C)S[C@H](C#N)Cc1ccc(C)cc1 573800820 BDLUVWXFGAQXFI-ZFWWWQNUSA-N 291.416 3.505 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@H](C)c2ccco2)c1 726484491 DMYQKUSJXYPUDG-GFCCVEGCSA-N 284.384 3.651 30 20 CHED CCC(C)=NNc1ccc(OCC(F)(F)F)cc1 727262850 ZWSORXJIIOCCBZ-UHFFFAOYSA-N 260.259 3.826 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1OCCF 820985449 XJXSAWNGHLNNRL-LBPRGKRZSA-N 265.328 3.576 30 20 CHED CCCCCCCCc1nc(-c2ocnc2C)no1 820918397 QPWZWHHDBXURLE-UHFFFAOYSA-N 263.341 3.936 30 20 CHED C=C(C)C(C)(C)C(=O)OCC[C@]1(C)C[C@@]1(F)Cl 822031129 DNWQKNLWXHWCSR-OLZOCXBDSA-N 262.752 3.837 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N[C@H](C#N)CC(C)C)cc1C 726560502 ZPTKEXDVJHTMAQ-LXXRFIIISA-N 284.403 3.680 30 20 CHED N#CC[C@@H]1CCCN(CCc2ccc(F)cc2Cl)C1 826861475 GHBVRVAOWYOCFJ-LBPRGKRZSA-N 280.774 3.647 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCCCC[C@H]1c1ccncc1 820636479 WIADLVRIEXYRAN-IRXDYDNUSA-N 299.418 3.510 30 20 CHED N#CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCC1 131375509 BJCRMZFUTYTFJB-SOUVJXGZSA-N 274.408 3.545 30 20 CHED C=C(CNCc1cccc(OCC)c1O)c1ccccc1 725849389 MBNRXHUIHVECKY-UHFFFAOYSA-N 283.371 3.594 30 20 CHED Fc1ccc(C=NNCCCc2ccccc2)c(F)c1 729147969 LHCRUFBCOQPIIK-UHFFFAOYSA-N 274.314 3.521 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cncn1C(C)C)CC2 901478969 YKBRGOHICWRPAA-ZSOIEALJSA-N 296.370 3.685 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(F)c1SC 667416160 MFSRHTNDVADCIM-UHFFFAOYSA-N 268.357 3.587 30 20 CHED Oc1ccccc1/C=N/[C@H]1CSc2ccccc21 735414942 ODOBKPYISGAJFT-WFSQQTBHSA-N 255.342 3.658 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC[C@@H](OC)C(CC)CC 495259175 JUCKPEQLIBOOSO-HZPDHXFCSA-N 296.455 3.578 30 20 CHED Fc1cccc2c1CCC2=NN=c1cc[nH]c2ccccc12 730147569 QYJWIBAARMAHKW-UHFFFAOYSA-N 291.329 3.558 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2cncc(Cl)c2)no1 904104459 ROZSJSJBBCWCLH-VIFPVBQESA-N 263.728 3.540 30 20 CHED C[C@@H]1CC(NC(=O)/C=C/c2ccccc2C#N)C[C@H](C)C1 739653543 DRTJKMPQRHFOME-FGCMQKDGSA-N 282.387 3.512 30 20 CHED C=C(C)CN(CC)C(=O)CSc1ccc(C)s1 830038119 ZXCFLFJWGOSSEF-UHFFFAOYSA-N 269.435 3.573 30 20 CHED CCCC[C@H]1CCCC1=NNc1cccc(-c2nn[nH]n2)c1 736441278 OSFQXJPRDQRVIX-LBPRGKRZSA-N 298.394 3.625 30 20 CHED CCc1c(C(=O)OC2(CC#N)CCC2)oc2ccccc12 835399498 JXJOPXWTENKYJW-UHFFFAOYSA-N 283.327 3.988 30 20 CHED C=CC[C@@H]1N(C(=O)CSC(F)F)CCCC1(C)C 830568662 JHYGKCADUOWFLY-JTQLQIEISA-N 277.380 3.536 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(O)c1Br 908708320 SHCTWUFODLJXBR-UHFFFAOYSA-N 298.180 3.696 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2ccsc2[nH]1 678881362 IBNRQGAUYPXQBF-SNVBAGLBSA-N 262.378 3.704 30 20 CHED Cc1ccc(C)c(NC(=O)Nc2ccc(C#N)c(F)c2)c1 589349851 WBVRENLSDDRVBS-UHFFFAOYSA-N 283.306 3.958 30 20 CHED C=CC[C@H](N[C@@H]1CCC[C@@H](OCC)C1)c1ccncc1 902807312 XUTVWQSIFSKJCY-ZACQAIPSSA-N 274.408 3.636 30 20 CHED C=CC[C@H](NC(=O)[C@@H](CC)CC(C)C)c1ccncc1 839284565 LCLMCVMEIUXKKC-HOCLYGCPSA-N 274.408 3.887 30 20 CHED C=CCC1(CNC(=O)N[C@H](C)c2ccc[nH]2)CCCC1 836380586 PBXWKUWLLZYTTA-CYBMUJFWSA-N 275.396 3.511 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)CCCC3CC3)CC2)cc1 589709074 MTKAEQJECRVTSH-UHFFFAOYSA-N 294.398 3.754 30 20 CHED C=C(Cl)COC(=O)C[C@@H](C)Cc1ccccc1OC 730653314 FKDGDMCFRDZVGD-NSHDSACASA-N 282.767 3.560 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)cc(C)c2)C1(C)C 736427700 PFAPDBWPZDQTHQ-OAHLLOKOSA-N 260.381 3.906 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] 836356021 CPHKYCXONROFGI-UHFFFAOYSA-N 296.754 3.595 30 20 CHED CCCC(=NNc1ccc([N+](=O)[O-])cn1)C1CCCC1 834941071 SWADAAJNNQKHMU-UHFFFAOYSA-N 276.340 3.748 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1c(F)cccc1F 915962756 VVUJSIAISCCHAH-UHFFFAOYSA-N 271.270 3.673 30 20 CHED CC[C@H](C)N(CC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 596632895 QQTAUNNJERUQMF-SUMWQHHRSA-N 299.418 3.766 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](C)C[C@@H]1c1ccccc1F 743010862 ZKODBVJPTMAAHG-SWLSCSKDSA-N 292.423 3.659 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCOc1ccc(C#N)cc1 743854224 PTVLHPXLHQAHSW-HHXXYDBFSA-N 298.430 3.980 30 20 CHED CC(=NOC(C)C)c1ccc(F)cc1OC(F)F 835000819 RRQNGUXTZALPFE-UHFFFAOYSA-N 261.243 3.576 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)[C@H]1CCOC1 741755893 LFDVNYGMANRYJI-VIFPVBQESA-N 273.163 3.818 30 20 CHED N#CC1(CCOC(=O)[C@@H]2CCCCS2)CCCCC1 840428594 UYPBUNQHJNLPNX-ZDUSSCGKSA-N 281.421 3.679 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)s1 671830372 CXOQMTKCFZDRHW-SECBINFHSA-N 289.322 3.948 30 20 CHED CC[C@H](C#N)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 593510031 JZURMTPSDMLHGS-GFCCVEGCSA-N 288.778 3.505 30 20 CHED C[C@H](SCCC#N)C(=O)Nc1ccc2ccccc2c1 840213984 SGDRGXBIFYLIES-LBPRGKRZSA-N 284.384 3.814 30 20 CHED C=C[C@@H](C)ONC(=O)c1ccccc1SC(F)(F)F 846543387 JDARYLGOTQHSRY-MRVPVSSYSA-N 291.294 3.534 30 20 CHED C#CCCOC(=O)c1cccc(Nc2ccccc2)c1 741111978 JXRPRQOKAMVLBS-UHFFFAOYSA-N 265.312 3.610 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(OCC(C)C)cc2)nn1C 840713775 RBMUAXJVJGGDKS-YFHOEESVSA-N 298.386 3.659 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)C(C)C 914682815 JHDUWHFXZFOAIM-GFCCVEGCSA-N 281.783 3.530 30 20 CHED CCC(=NNc1ccccn1)c1cc(F)ccc1F 743426357 OELQKLMFICEHQJ-UHFFFAOYSA-N 261.275 3.586 30 20 CHED COCCN(C)N=C1CCC[C@@H](c2ccc(Cl)cc2)C1 841637678 VCRIMGFJBZXPQJ-CQSZACIVSA-N 294.826 3.932 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 594002458 VZASSGIOOFNKAH-HUUCEWRRSA-N 284.403 3.598 30 20 CHED C#C[C@@H](OC(=O)[C@H](CC)CC(F)(F)F)c1ccccc1 842392348 OBKVIONAMACQKE-DGCLKSJQSA-N 284.277 3.883 30 20 CHED N#CC1(CC(=O)Nc2cnc3c(c2)CCCC3)CCCCC1 597495562 WNLKBHQNKFUEDP-UHFFFAOYSA-N 297.402 3.763 30 20 CHED COc1ccc(CNN=C(C)c2ccc(C)cc2)cc1 917548966 PPHWOKIQRBOASH-UHFFFAOYSA-N 268.360 3.517 30 20 CHED CCOc1ccccc1C(C)=NNc1ccc(C#N)cc1 915962456 MFANGBHAZRHACR-UHFFFAOYSA-N 279.343 3.793 30 20 CHED CCN(CCc1ccc(C#N)cc1)CCc1cccs1 595296358 BMFWCLXYYNQKBS-UHFFFAOYSA-N 284.428 3.727 30 20 CHED CCCN(CCC)c1ccc(NC(=O)[C@H](C#N)CC)cc1 846480547 BORVKCWOLCIARC-AWEZNQCLSA-N 287.407 3.801 30 20 CHED COc1ccsc1/C=C1/Cc2c(F)ccc(F)c2C1=O 749591019 PBUPFEQLYRGQGR-FPLPWBNLSA-N 292.306 3.857 30 20 CHED C=CCN(C(=O)Nc1ccc(F)c(F)c1C)C(C)C 841793074 YZVFSDKLHAYXMK-UHFFFAOYSA-N 268.307 3.702 30 20 CHED Cc1ccoc1C=NNc1ncnc2sc(C)c(C)c12 743425134 UGMGQVQSUFTESR-UHFFFAOYSA-N 286.360 3.656 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1coc2ccccc12 747737089 UWABOBCWJIFEDX-UHFFFAOYSA-N 294.310 3.967 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCC1CCOCC1 749187472 MLLFDOGZRYHDAC-HNNXBMFYSA-N 298.471 3.709 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(C)c2ccc(C#N)nc2)cc1 844826454 RJKYPGRRSBNUTQ-ZDUSSCGKSA-N 293.370 3.743 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1cc(C)ccc1C 741766128 JPZIGMRWTLEPFH-UHFFFAOYSA-N 288.782 3.891 30 20 CHED CC(CC(C)(C)C#N)=NNc1ncnc(Cl)c1C(C)C 853342661 KNENYLCIGQIJNT-UHFFFAOYSA-N 293.802 3.981 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2nc(C(F)F)[nH]c2c1 684939301 OTQNOGDVBQAGMY-SNVBAGLBSA-N 293.317 3.585 30 20 CHED C#CC[C@H](NCc1cc(C)ccc1OC)c1ccccc1 756995413 HUIFQOXOBJMVDX-SFHVURJKSA-N 279.383 3.858 30 20 CHED CC[C@@H]1CCCC1=NNc1cncc(Br)c1 758117389 GVLBCWKJGBQFKS-SECBINFHSA-N 282.185 3.822 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1ccc(N(C)C)cc1 750920897 DHHPIYDGVNQTOQ-UHFFFAOYSA-N 297.402 3.987 30 20 CHED CCCCCCCCNc1ccc2nnc(C3CC3)n2n1 754785849 PDYMCBGNDCYKDM-UHFFFAOYSA-N 287.411 3.774 30 20 CHED Cc1ccccc1C1(N[C@@H](C)CC(C)(C)C#N)CC1 926628134 QZVQGECWBDZOEQ-AWEZNQCLSA-N 256.393 3.902 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccccc2C)c1 759213312 YEBHGJXMJLNEGH-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C=CC[C@H]1CCCCC1=NNc1nccnc1Cl 853308018 XOEUJCYOPXHANS-JTQLQIEISA-N 264.760 3.664 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc(Cl)s1)OCC 756479099 IUQUYWRDNXRKGD-LLVKDONJSA-N 288.796 3.816 30 20 CHED CC(C)[C@H]1C[C@H](Nc2ccc(F)cc2OCC#N)CS1 754145497 TYGATDPDQZVVTD-SWLSCSKDSA-N 294.395 3.670 30 20 CHED C=CCN1CCC(N[C@@H](C)c2coc3ccccc23)CC1 924983608 HBSRKWGWVDAVGW-AWEZNQCLSA-N 284.403 3.734 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2ccc(CC#N)cc2)cc1 759903470 AXYXPNDLUQWPHD-AWEZNQCLSA-N 279.339 3.979 30 20 CHED C/C=C(/C=C/C(=O)OCc1ccc(CC#N)cc1)CC 750814298 SCECCTCBAQZPIE-KMSCECPDSA-N 269.344 3.708 30 20 CHED C#Cc1cccnc1N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 853356860 ZJWZUHDQBCJTIV-XJKSGUPXSA-N 280.346 3.584 30 20 CHED CCN(C(=O)C=C1CCCCC1)c1ccc(C#N)cc1 753171044 HITPPSISDOULRB-UHFFFAOYSA-N 268.360 3.802 30 20 CHED CCC1(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CC1 750705130 GDCQMZUPNOTQQR-JTQLQIEISA-N 288.347 3.802 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(O)c(OC)c1 752980334 BDHAKUVGRWFXOO-UHFFFAOYSA-N 291.391 3.657 30 20 CHED C[C@H](CC(C)(C)C#N)NCC(F)(F)c1ccccc1 926260360 QRPVZGOZGFSIPQ-GFCCVEGCSA-N 266.335 3.696 30 20 CHED C#CCCCCN[C@H](c1ccc(F)cc1)c1ccccn1 753688128 SUSDQDSDNBMMHS-GOSISDBHSA-N 282.362 3.703 30 20 CHED COC[C@@H](C)Oc1ccc(C=NOCc2ccccc2)cc1 853286500 HZVPAOHRUCXLHR-OAHLLOKOSA-N 299.370 3.651 30 20 CHED CC(=NNc1ncccc1C)c1ccc2c(c1)CCCO2 853338863 SFYWERZILXOPBU-UHFFFAOYSA-N 281.359 3.551 30 20 CHED CCc1nn(C)c(Cl)c1C=NNc1cc(C)ccc1F 759653968 XYZLRBPRWZOEKJ-UHFFFAOYSA-N 294.761 3.529 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)c2ccc(C)o2)C1 855438171 BZKLKVJMRVXVBZ-KBPBESRZSA-N 261.365 3.506 30 20 CHED CN(CCC#N)c1ccc(CNCCCC2CCC2)cc1 850379714 WFHKKVDDKOYFHA-UHFFFAOYSA-N 285.435 3.706 30 20 CHED CCC[C@H](NCc1ccc(C#N)cc1)c1cccnc1 756421233 YMXDZSVSLQBJPJ-KRWDZBQOSA-N 265.360 3.584 30 20 CHED COC(=O)c1cccc(NN=C2CC[C@@H]2c2ccccc2)c1 769802972 TYMIBVNBNWVFOY-MRXNPFEDSA-N 294.354 3.819 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc2c1OCC[C@H]2OC 935728177 BKGNJLHFLVXMSJ-IUODEOHRSA-N 289.375 3.697 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H]2CCC[C@@H](C)C2)o1 768366213 ZQUXOQRAVDIKAV-NEPJUHHUSA-N 274.368 3.894 30 20 CHED C/C(=C/C(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 765133882 SZDIYTAVJKYKBU-OBEJXRGXSA-N 282.387 3.631 30 20 CHED Cc1ccc(C)c(NC(=S)Nc2cc(CC#N)ccn2)c1 763169939 ZFJUDGUFUDIGHZ-UHFFFAOYSA-N 296.399 3.573 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(C)cc2C)c1 767366370 FJFVGBHSPNRVDT-SREVYHEPSA-N 251.329 3.903 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)CCc1cccc2ccccc12 868464463 ROITYOOHTOKJGT-LJQANCHMSA-N 292.382 3.581 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)CCc1ccoc1 768037396 CIWLBCDCIXQYKK-UHFFFAOYSA-N 297.354 3.757 30 20 CHED C#CCCc1noc(C[C@@H](C)Cc2ccc(Cl)cc2)n1 762010691 OUWDDOOZAWKBJV-LBPRGKRZSA-N 288.778 3.710 30 20 CHED Cc1cc(C)nc(NN=C2C[C@H](C)c3c(C)cccc32)n1 766679528 WHGHIQZURFTHQD-NSHDSACASA-N 280.375 3.725 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccccc2C(=O)O)C1 768353919 CEVBGWJMHCYNBF-NWDGAFQWSA-N 260.337 3.609 30 20 CHED CCCCCCC[S@](=O)c1ccc2c(c1)OCCCO2 764549313 XDBAEGZGDGLFHT-FQEVSTJZSA-N 296.432 3.926 30 20 CHED CCO[C@H]1CCCC1=NNc1cccc2c1CCCC2 766451156 VBLVLTJVZVUOLR-KRWDZBQOSA-N 272.392 3.922 30 20 CHED CC#CCCNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1116565052 GEUZIIIVGHODOF-UHFFFAOYSA-N 283.415 3.545 30 20 CHED CC(C)(C)SCCCOC(=O)c1ccc(C#N)s1 775294932 TVNGEJFZPONBRA-UHFFFAOYSA-N 283.418 3.698 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCC(=O)CC1 778566623 NCZMWDBOYVDIND-OAHLLOKOSA-N 281.440 3.955 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@](CC)(CO)C1 779649926 CPEMABUMKTXDAS-KRWDZBQOSA-N 298.471 3.541 30 20 CHED Cc1cccc(C(=O)OCCC(C)(C)C#N)c1Cl 776397665 AYGYTTHFMCKCCZ-UHFFFAOYSA-N 265.740 3.745 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccccc2F)ccc1F 770569529 ORVULWFSMYSLDO-VURMDHGXSA-N 269.250 3.733 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@H](C)[C@H]1C 773077139 CWPQWDXBIUGYCK-NWDGAFQWSA-N 260.385 3.824 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)c1ccc(C#N)cc1 774256577 WUPSHLLEUNQFHI-SFHVURJKSA-N 293.345 3.810 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cccc(C(=O)O)c1 774136689 CSWIKTSNECQONL-AATRIKPKSA-N 272.325 3.651 30 20 CHED COc1ccc2oc(C=NN[C@@H]3C[C@H]4CC[C@H]3C4)cc2c1 774593431 NHYLOHWJOXMJGT-MQIPJXDCSA-N 284.359 3.554 30 20 CHED C#CCCCCC(=O)Nc1cc(F)ccc1NC1CC1 870203609 KYDICHRZYHUPIZ-UHFFFAOYSA-N 274.339 3.532 30 20 CHED C#C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 773592316 FOAPFSMTAROKSQ-RHSMWYFYSA-N 284.403 3.678 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)o1 774593457 ODASZGMANSVOJV-CYHVGBIXSA-N 258.365 3.515 30 20 CHED Cc1ccc(F)cc1C=NNc1cc(F)c(F)c(F)c1 777889197 SMLMKDFNQCFRPJ-UHFFFAOYSA-N 282.240 3.997 30 20 CHED C=C(CC)COC(=O)[C@@H](C)OC1CCCCCC1 773536594 TZNSCNYIEGMHSR-CYBMUJFWSA-N 254.370 3.624 30 20 CHED CCC(=NNc1cc(Cl)ccn1)c1ccc(C#N)cc1 773079572 NCFGSSUXEUGSRV-UHFFFAOYSA-N 284.750 3.833 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)C=C1CCC1)c1cccs1 1123105576 GYTMXRFTTUCDEO-SWLSCSKDSA-N 275.373 3.992 30 20 CHED C#CCOc1ccc([C@H](C)Nc2ccc(SC)cn2)cc1 777206659 WOBYNUAQFXAJKB-ZDUSSCGKSA-N 298.411 3.989 30 20 CHED O=C1/C(=C\c2ccccc2F)CCc2ccc([N+](=O)[O-])cc21 773152694 YMNZCEFGNRQBMS-LCYFTJDESA-N 297.285 3.946 30 20 CHED Cc1cccc(N(C)C(=O)[C@H](CC#N)c2ccccc2)c1 1125761358 QAKNFNPRHNHJMW-QGZVFWFLSA-N 278.355 3.655 30 20 CHED N#Cc1cc(/C=C2/CCc3sccc3C2=O)ccc1F 770571892 ACAFHYQAEAPKOC-XFFZJAGNSA-N 283.327 3.971 30 20 CHED C=CCCOCCCCC(=O)N1CCc2cc(C)ccc21 775798667 GMGSBSVXGRIQNC-UHFFFAOYSA-N 287.403 3.647 30 20 CHED C#CCCCCCC(=O)N(C)CCc1ccc(Cl)cc1 779936060 DBFNZOTZRDYSEZ-UHFFFAOYSA-N 291.822 3.925 30 20 CHED CC(C)OC1CCC(Nc2ccc(F)cc2C#N)CC1 130094131 FHWDPDFFAIZOHF-UHFFFAOYSA-N 276.355 3.845 30 20 CHED N#Cc1ccc(C=NNc2ccc(Cl)cc2)c(F)c1 772827258 JBAWCCHCNDXGIE-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@@H]1CCCc2nc(C)sc21 1123652147 CYNLETYYJIPPCS-CQSZACIVSA-N 292.448 3.890 30 20 CHED Cc1cccc(Cl)c1COC(=O)c1ccc(C#N)s1 1129135891 TWKVTDACKXBMAW-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C(=NNC1CCCCC1)c1ccc(Oc2cnccn2)cc1 786039471 CMPZHCSCAHFMJE-UHFFFAOYSA-N 296.374 3.525 30 20 CHED CCCC1CCC(N(C)Cc2cc(C#N)ccn2)CC1 1460057365 XCYJMOAPVZGQSZ-UHFFFAOYSA-N 271.408 3.744 30 20 CHED O=C(/C=C/c1ccc(-n2cccn2)cc1)c1cccs1 884003380 PCMLQGXULUKCAC-RMKNXTFCSA-N 280.352 3.830 30 20 CHED CC(C)n1cc2c(n1)[C@@H](Nc1ccc(C#N)cc1)CCC2 780766462 RIYFOLLOSFOTOT-INIZCTEOSA-N 280.375 3.825 30 20 CHED Cc1ccccc1C(=NNc1ncncc1Cl)C1CC1 780277469 YKLXWHKGRRGSNL-UHFFFAOYSA-N 286.766 3.665 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(C)c(C)cc2C)n(C)n1 789160177 UHFHPKCLJSHCDD-VOTSOKGWSA-N 268.360 3.550 30 20 CHED C#CCSc1ccc(COC(=O)[C@H](CC)SC)cc1 788412072 SQLGNDYPXBJVOO-AWEZNQCLSA-N 294.441 3.597 30 20 CHED N#Cc1ccc(NCCC2CCC(F)(F)CC2)nc1 897245867 LKPNRPWJTFBPTC-UHFFFAOYSA-N 265.307 3.581 30 20 CHED C=C1CCC(C(=O)Nc2ccc3nnc(C(C)C)n3c2)CC1 890115513 IKACXEPSMTZPSP-UHFFFAOYSA-N 298.390 3.538 30 20 CHED Cc1cc(C=NN2Cc3ccccc3C2=O)ccc1Cl 781597236 NVPVKEXMAWTKET-UHFFFAOYSA-N 284.746 3.638 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c(Cl)n1 786644203 NOSHYTWKDGJNHM-GFCCVEGCSA-N 273.163 3.929 30 20 CHED CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1O 787025529 HBPUPMLMLIPELW-QZTJIDSGSA-N 292.382 3.992 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C/c1ccc2[nH]ccc2c1 785856154 HIBZGLGSNCKWPP-DYLHUKMJSA-N 280.371 3.748 30 20 CHED CCCC[C@@H](CC)CC(=O)N(CC#N)c1ccccn1 892464753 NFOPOEYLKKSCFF-CQSZACIVSA-N 273.380 3.545 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc2c(c1)OCCO2 398073004 NJDAVRSGIGFSEU-KBPBESRZSA-N 275.392 3.853 30 20 CHED C=C(C)CN(CC)C(=O)NCCC1CCC(F)(F)CC1 898587082 VZYUDLLVGCPLOS-UHFFFAOYSA-N 288.382 3.810 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC[C@@H]2C2CC2)c(F)c1 1202810834 BWZQCQMWZNDRPX-GOEBONIOSA-N 272.367 3.613 30 20 CHED N#Cc1ccc(CNN=CCc2cccc(Cl)c2)cc1 794920563 OHOGQJZQYBRIHO-UHFFFAOYSA-N 283.762 3.530 30 20 CHED COc1ccc(C#N)cc1CSC/C(C)=C/Cl 797812927 QNLHBEGIVSGZBJ-UXBLZVDNSA-N 267.781 3.943 30 20 CHED CCC1(CC)CCN(C(=O)c2ccc(C)c(C#N)c2)C1 799348204 CDMFTMHHCOUWIY-UHFFFAOYSA-N 270.376 3.519 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1ccc(Cl)cc1Cl 585817652 NUXUOBLSACOCGF-CQSZACIVSA-N 299.201 3.892 30 20 CHED FC(F)(F)c1ccc(NN=C[C@@H]2CCCSC2)nc1 794864727 DVXKIPONMDQPET-VIFPVBQESA-N 289.326 3.641 30 20 CHED C=CCCCOC(=O)c1ccc(F)cc1Br 735532437 OBMHCSZVNIDFBM-UHFFFAOYSA-N 287.128 3.711 30 20 CHED Cc1cc(C#N)ccc1CN1CCn2c(Cl)ccc2[C@@H]1C 794442400 GYETZZRUFBTRDJ-ZDUSSCGKSA-N 299.805 3.898 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cscc1C 189922631 NPQIYWNSFFYGPA-UHFFFAOYSA-N 264.394 3.601 30 20 CHED Cc1ccnc(CSCc2ccc(F)cc2C#N)c1 790560036 CUDHWYZZMRFDBC-UHFFFAOYSA-N 272.348 3.834 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc2n[nH]cc2c1 794930729 LIHVUYHEISOBEZ-UHFFFAOYSA-N 282.322 3.847 30 20 CHED COc1cc(CNc2ccc(N(C)C)c(C)c2)ccc1C#N 799338851 BHIXPUKRBMFLBH-UHFFFAOYSA-N 295.386 3.553 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC1CCC(N(C)C)CC1 658039282 XQBMJAIVPBUTOF-RDHHWEPZSA-N 264.457 3.584 30 20 CHED COc1cc(C)c(C(C)=NNc2ncccc2C)cc1C 790193152 WAKBGLKEZLBXIW-UHFFFAOYSA-N 283.375 3.852 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(OCC3CC3)cc2)C1 799722929 SJMMBKVJIMJQOQ-HIFRSBDPSA-N 256.349 3.580 30 20 CHED Cc1ccc(C(=O)Nc2cccc3c2ccn3C)cc1C#N 799329934 UAHFYUIKZKZUHV-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C=CCC[C@H](C)NCc1ccc(N2CCCC2)cc1 756402609 MDZNINLDIBGVEA-HNNXBMFYSA-N 258.409 3.731 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H]1C 1215839269 YNINUJJAKVOGSJ-CMPLNLGQSA-N 291.782 3.864 30 20 CHED C[C@H](NC(=O)N(C)CC(C)(C)C#N)C1CCCCCC1 1312473062 SDWWFDHHUMELBC-ZDUSSCGKSA-N 279.428 3.536 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)c1ccc(Cl)c(F)c1 1328589193 AEOHJWGPQUQEEE-VIFPVBQESA-N 275.714 3.919 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccn(C2CCCCC2)n1 1321168991 DIQXZNOZMGRCJZ-ZDUSSCGKSA-N 290.411 3.865 30 20 CHED CC(C)(C)ON=Cc1cnn(Cc2ccccc2)c1Cl 1325650225 MVLHEXURZMZALQ-UHFFFAOYSA-N 291.782 3.734 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)C1(C#N)CCCC1 1251301678 OTKUVGBNOJFKDX-PMPSAXMXSA-N 290.451 3.895 30 20 CHED CC1(C)CCCN(C(=O)c2ccccc2SCC#N)C1 1320949336 LOCATFSZMFFUAR-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2cccc(C)c2o1 1339198257 VGCOKKQNERNVIA-CYBMUJFWSA-N 270.332 3.506 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCSc2ccc(F)cc21 1336892463 ZKTMWYZDFLHTBG-ZDUSSCGKSA-N 279.380 3.835 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccccc1Br 1335445038 QIGVYWLAVVWPOP-UHFFFAOYSA-N 296.208 3.764 30 20 CHED CSc1ccc(/C=C\C(=O)O[C@@H]2CC[C@@H](C#N)C2)s1 1263386355 QRMYOISUJIISGC-DPIUTZRQSA-N 293.413 3.719 30 20 CHED Cc1cccc2sc(NC(=O)c3ccsc3C#N)nc12 1264235519 JEFOAXPYLNRKQR-UHFFFAOYSA-N 299.380 3.790 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)Cc1cccc(Cl)c1 1340892579 LSVOFXKUABBWRE-IUODEOHRSA-N 292.810 3.669 30 20 CHED N#CC[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 1354121566 JLENCOUIVZTEKG-OAHLLOKOSA-N 284.746 3.976 30 20 CHED C=C(C)CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 1353405191 JBYZBRURAHGINK-UHFFFAOYSA-N 297.402 3.625 30 20 CHED Cc1coc(C)c1C(=O)N(c1ccccc1C#N)C1CCC1 1353519428 YBSYNYNMJMRGBF-UHFFFAOYSA-N 294.354 3.967 30 20 CHED C=C[C@H](CC)CC(=O)[C@H](C#N)c1nc2ccccc2o1 1515838135 RVQWPMNWGFQKIZ-NEPJUHHUSA-N 268.316 3.606 30 20 CHED C[C@H](CCc1ccco1)Nc1c(F)cc(C#N)cc1F 109810786 VCDUTFJHKJBNAC-SNVBAGLBSA-N 276.286 3.863 30 20 CHED CC(C)[C@@H]1CCN1c1cc(Br)c(C#N)cc1F 1458377708 GDUCYRLOLLAYIZ-LBPRGKRZSA-N 297.171 3.695 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](c1ccccc1)C1CC1 1524590124 ROHUODMZIUILNJ-SFHVURJKSA-N 290.366 3.748 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)c1nc(C#N)c(Cl)s1 1611775995 ZNVKQSANEKNNOJ-WPRPVWTQSA-N 269.801 3.683 30 20 CHED CCC[C@@H](CC)C(=O)N(CCC#N)c1ccc(F)cc1 1615362412 WZMAVRAWWUZOFA-CYBMUJFWSA-N 276.355 3.899 30 20 CHED Cc1cc(C)c(COC(=O)c2cccc(C#N)c2C)c(F)c1 1540112104 MRHZVZGAGXGZAU-UHFFFAOYSA-N 297.329 3.980 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 1639418004 QAUZUQUXMCJGMM-HIFRSBDPSA-N 297.402 3.897 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@H]2c2ccccc2Cl)n1 1642943312 MPYXFGLGRDHMBF-DZGCQCFKSA-N 283.762 3.883 30 20 CHED N#Cc1cc(OCCC2CCC2)ccc1Br 1653117034 SLTVARQNRWMZMD-UHFFFAOYSA-N 280.165 3.890 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(C)c(F)c1 1583795587 PQOMVSDFVPWLMF-KRWDZBQOSA-N 296.345 3.887 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cc(C(=O)O)cs1 1588787393 WFKSYDBIVQQJKJ-GHMZBOCLSA-N 267.394 3.842 30 20 CHED CCc1nc(C#N)cc(NCc2oc3ccccc3c2C)n1 1655135654 JHUPWHCVYBJFGL-UHFFFAOYSA-N 292.342 3.577 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(F)c(C#N)c1 1668716125 ICZSWIAVEALTGH-JTQLQIEISA-N 277.343 3.644 30 20 CHED CC[C@H](C)[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)O 1594928312 GIXAXCLRIHXGPV-QPUJVOFHSA-N 283.780 3.803 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](CC)C1 1593808076 NZJDJRYRWOEZPR-WCQYABFASA-N 296.846 3.780 30 20 CHED Cc1c(NN=C[C@H]2CCc3ccccc32)cccc1C(=O)O 1776087792 WUAIGNBXSDSADO-CQSZACIVSA-N 294.354 3.821 30 20 CHED C=CCN(CC1CCCCC1)c1nc(C)ccc1C(=O)O 1776177522 VSFQZUNLJKKSAX-UHFFFAOYSA-N 288.391 3.661 30 20 CHED C=CC[C@H]1CCC(=NNc2ccccc2C(=O)O)C1 1776031238 UZMOFFCSRHLACV-NSHDSACASA-N 258.321 3.529 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2ccc(C(=O)O)cc2)C1 1776012667 JSKLRKRMTGNBKT-OLZOCXBDSA-N 274.364 3.999 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)cc2)oc1C 1777418512 QXMPYRVXCZNWOQ-ZWOQCJTASA-N 296.322 3.890 30 20 CHED C[C@@H](c1cccc(Cl)c1)[S@@](=O)CCCCC#N 150956404 RQZYQKOCTNKXFZ-APPDUMDISA-N 269.797 3.844 30 20 CHED C=CCN(C)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 161557355 VWRXNWRNZDPMHV-UHFFFAOYSA-N 277.673 3.617 30 20 CHED C=CCC(CC=C)C(=O)OCc1sc(C)nc1C 151406764 FPSUXUHVBJNMIW-UHFFFAOYSA-N 265.378 3.572 30 20 CHED Cc1cc(C)nc(NC(=O)c2cccc(SCC#N)c2)c1 152941951 XNQAQXZKKRSZKU-UHFFFAOYSA-N 297.383 3.566 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 153448579 DMAKFPFLHMWVPN-RDJZCZTQSA-N 286.419 3.988 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(C#N)cc1 156199485 VYASGAAGRNSADS-INIZCTEOSA-N 286.375 3.625 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc2ccccc2c1 154329720 RLLNPYBXXPZTHJ-OAHLLOKOSA-N 267.328 3.935 30 20 CHED COCc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)o1 154366469 LCZSZJLVRPAJIX-UHFFFAOYSA-N 298.386 3.708 30 20 CHED C=CCC[C@H](Nc1cc(C)ncn1)c1ccccc1 154576462 OIMHOEDNNOKVHL-HNNXBMFYSA-N 253.349 3.904 30 20 CHED COc1ccc(C#N)cc1CNc1cccc(Cl)c1 129241055 OGEBCXDAOUPZPP-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=CCC[C@@H](C)Nc1cccc(COCCOC)c1 130609758 YWOOSBYLQKQPPZ-CQSZACIVSA-N 263.381 3.616 30 20 CHED CN(CCCOc1cccc(C#N)c1)Cc1cccs1 35717399 FDDARIVGZWWTAD-UHFFFAOYSA-N 286.400 3.521 30 20 CHED N#Cc1cccc(CNc2cc3c(cc2Cl)OCO3)c1 36969868 UQUKJTHLYSTSLP-UHFFFAOYSA-N 286.718 3.552 30 20 CHED N#CCCNCc1ccc(-c2nc3ccccc3s2)o1 37248854 HBDHSSTUTXXOJI-UHFFFAOYSA-N 283.356 3.560 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1cccc(C#N)c1 37268985 BKDVCTSGUIVBTP-NSHDSACASA-N 265.291 3.742 30 20 CHED C=C1CCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 269403507 DFXKCUJQRXLWAM-UHFFFAOYSA-N 286.762 3.680 30 20 CHED N#CCOc1cccc(NC(=O)c2ccc(Cl)s2)c1 48074082 SQDJNJONJLDKSA-UHFFFAOYSA-N 292.747 3.556 30 20 CHED CC(C)(C)C[C@H]1CCN(c2cccc(F)c2C#N)C1 307779940 SUGUJQGJCUZTEB-GFCCVEGCSA-N 260.356 3.960 30 20 CHED CC[C@@H](CNCc1cccc(C#N)c1)CC(F)(F)F 402638703 NNRPWPHTKBNTJU-LLVKDONJSA-N 270.298 3.626 30 20 CHED N#CCCCCNC(=O)C1(c2cccc(Cl)c2)CCC1 609141587 KNAPHLISGOITNE-UHFFFAOYSA-N 290.794 3.572 30 20 CHED N#Cc1ccc(NCC[C@H](O)c2ccccc2)cc1Cl 78519509 MBURPABLJLJJKR-INIZCTEOSA-N 286.762 3.747 30 20 CHED Cc1ccc(C#N)cc1N=C(O)[C@@H]1CCCSC1 329443691 BYMXTNNNXZNPQS-GFCCVEGCSA-N 260.362 3.598 30 20 CHED N#Cc1ccc(CN[C@H](C2CCCC2)C2CC2)s1 421848871 AQQDREAOCKDGMV-OAHLLOKOSA-N 260.406 3.678 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2ccnc(C#N)c2)CC1 83729506 IRZPTQXBLBGKIR-CYBMUJFWSA-N 257.381 3.606 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nnsc1Cl 548754545 VQVZVAUCCREDHU-UHFFFAOYSA-N 293.823 3.770 30 20 CHED C=C(C)CCNCc1csc(-c2cccs2)n1 449473314 HPSYMRQYLWGUJY-UHFFFAOYSA-N 264.419 3.927 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1ccc(F)cc1C#N 343717547 GVKYFHQOZCZCHC-LLVKDONJSA-N 286.375 3.878 30 20 CHED C=CC[C@H](CC)NCc1cc(Cl)c2c(c1)OCCCO2 393771859 JYCHFTSIHCMSOM-ZDUSSCGKSA-N 295.810 3.946 30 20 CHED N#CC1(C(=O)Nc2ccc(N3CCCCC3)cc2)CCCC1 7114435 BEVUBRJASQGDIS-UHFFFAOYSA-N 297.402 3.699 30 20 CHED Cc1nsc(NCc2coc3ccccc23)c1C#N 342405270 AJFAQPDDWLIFES-UHFFFAOYSA-N 269.329 3.682 30 20 CHED Oc1ccccc1/C=N\CCc1ccc(Cl)cc1 103010728 NHZWJJBQEUGJJS-BOPFTXTBSA-N 259.736 3.707 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCc1ccsc1 106421705 SXAPMQLGMPSIFA-UHFFFAOYSA-N 278.421 3.659 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cc1)c1ccccc1F 50355249 GDMIGDIWFOPMQH-NSHDSACASA-N 269.275 3.615 30 20 CHED C[C@H]1CCC[C@@](CNc2cccc(F)c2C#N)(N(C)C)C1 108643654 KDCHTXPQDFUCBX-SUMWQHHRSA-N 289.398 3.620 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 53365841 CNDFVYDEBWWUNJ-UKRRQHHQSA-N 273.376 3.536 30 20 CHED C=CCNC(=O)CS[C@H](CC)c1ccc(Cl)cc1 171245580 ILTCDZHALHHHDO-CYBMUJFWSA-N 283.824 3.827 30 20 CHED CCCCCCCNC(=O)COc1ccc(Cl)cc1 100040144 HXQDVCKELADVQO-UHFFFAOYSA-N 283.799 3.805 30 20 CHED CC(C)SCCNc1cccc(Br)c1C#N 309219277 QCRZSUQYZOGMFX-UHFFFAOYSA-N 299.237 3.874 30 20 CHED O=C(/C=C/C=C/c1ccccc1)c1cccc(O)c1 58464627 IZAAGCWXNYEKAV-XFRMRLMGSA-N 250.297 3.845 30 20 CHED C=CCCCC(=O)Nc1cccc(COCCOCC)c1 175357409 QPTXJKMBKBOOTN-UHFFFAOYSA-N 291.391 3.535 30 20 CHED C=CCC[C@@H](C)NCCc1ccc(Br)s1 134914920 CFJYGMCNUPVWER-SNVBAGLBSA-N 288.254 3.997 30 20 CHED C[C@@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 170945984 HZFOWZDYKQGTNJ-XXILOJSOSA-N 297.185 3.515 30 20 CHED CCC1(C(=O)Oc2ccc(C#N)cc2F)CCCC1 178559408 MLELKUAMHNNLBU-UHFFFAOYSA-N 261.296 3.573 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@](C)(O)C(C)C)c2c1 301418921 HCIYRKLXEONTLJ-SFHVURJKSA-N 297.402 3.542 30 20 CHED CC(C)(C)c1csc(CNCc2ccc(C#N)s2)n1 176964786 SQEILVWQDZWHFF-UHFFFAOYSA-N 291.445 3.664 30 20 CHED CC(=O)c1ccc(F)cc1OCc1ccc(C#N)cc1F 62748116 VNAVIYJOKFNOJQ-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=CC[C@H](C)NC(=O)N(C)Cc1ccc(Cl)s1 116973245 CRTZVXKIHMNPOJ-VIFPVBQESA-N 272.801 3.508 30 20 CHED C=CC1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 111258771 ICZCTIZGTAJWSY-NSHDSACASA-N 289.404 3.757 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)cn1 111998475 KUISDHYKDFCORH-BJMVGYQFSA-N 298.386 3.834 30 20 CHED CCCCN(CCCC)C(=O)c1c(F)cc(C#N)cc1F 119923767 OXALVAWCBSWYAB-UHFFFAOYSA-N 294.345 3.879 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCCCC1)CCC2 179747077 BCXJTZQXDIAAEC-KRWDZBQOSA-N 296.414 3.963 30 20 CHED C[C@@H](OC(=O)c1ccc(F)cc1)c1ccc(C#N)cc1 175796079 ACVVNGKOJRKCIK-LLVKDONJSA-N 269.275 3.615 30 20 CHED Cc1cc(C)cc(C2=CCN(c3ccc(C#N)nc3)CC2)c1 301931948 MGJSOFHLUHFPMT-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1C 409696032 KPNPRNPFKIRVSI-RDJZCZTQSA-N 286.419 3.963 30 20 CHED C#CCCCCC(=O)N[C@@H](c1ccccc1)C1CCC1 120106086 LITVQOLZKJDQGZ-SFHVURJKSA-N 269.388 3.838 30 20 CHED CCCCCCCC(=O)NCc1ccc(Cl)nc1 121024661 AFCNWOUYPIWDHE-UHFFFAOYSA-N 268.788 3.712 30 20 CHED C=CCNC(=O)/C(=C\c1ccccc1OC)c1ccccc1 32907836 JCYKAHFLZZIMAD-VKAVYKQESA-N 293.366 3.538 30 20 CHED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCC#N 184512309 KHRDYGMASYOLQV-VIFPVBQESA-N 291.807 3.946 30 20 CHED CC(C)(CCC#N)CN1CCSC[C@@H]1c1nccs1 186636728 NOCJDBXRVPJIIZ-GFCCVEGCSA-N 295.477 3.563 30 20 CHED COc1cc(C#N)ccc1CN(C)Cc1ccccc1C 120482493 SOEMSWBWKNCUDP-UHFFFAOYSA-N 280.371 3.507 30 20 CHED CCC[C@H](C)[C@H](CC)NCc1ccc(OCC#N)cc1 180549921 AXBTYKXNZURYKV-YOEHRIQHSA-N 274.408 3.893 30 20 CHED CCCCCS[C@@H](C)C(=O)NC1(C#N)CCCCC1 180734494 UMBRITUXJULTNR-ZDUSSCGKSA-N 282.453 3.641 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)Nc1cccc(C#N)c1 431714694 ZFMIDTWGUAKYIT-UHFFFAOYSA-N 273.380 3.752 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(C)cccc1SC 184947044 WJSPPDMVQZOBAI-UHFFFAOYSA-N 264.394 3.757 30 20 CHED Cc1occc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187293550 NQLRKIPGCXYNOJ-UHFFFAOYSA-N 288.391 3.817 30 20 CHED CNC(=O)c1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 71850452 PPVZPOQFPHJYCV-JXMROGBWSA-N 299.757 3.596 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)C[C@@H](C#N)CCC#N 78315993 FGPRKZXMZGDKGG-LLVKDONJSA-N 296.201 3.869 30 20 CHED Cc1cc(N2CCCC2)ccc1Nc1ncc(C#N)cc1F 413025681 HGLSMBVUFNXRNS-UHFFFAOYSA-N 296.349 3.745 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2ccc(C)nc2)cc1 182911468 ATWKSJLIAYYHPB-CQSZACIVSA-N 266.344 3.575 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1scnc1C(C)C 410726102 SAIOAVKBUNYGTA-UHFFFAOYSA-N 293.436 3.811 30 20 CHED Cc1cccc(OCCSCC2(C#N)CCC2)c1 419397211 UKYFOXORFFSMSQ-UHFFFAOYSA-N 261.390 3.801 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2ccc(F)cc21 181109169 YTCRGEPWYSLQRR-GFCCVEGCSA-N 276.355 3.643 30 20 CHED CCc1cnc(CN(C)[C@H](C)c2cccc(C#N)c2)s1 187708037 NWVBDDCXBQJQAT-GFCCVEGCSA-N 285.416 3.770 30 20 CHED Cc1ccc(Br)cc1CSCCC#N 413017806 ORUOTDGTWQGVAP-UHFFFAOYSA-N 270.195 3.904 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2cccs2)n1C1CC1 127305074 BWTQRIJDAUVEHS-SNVBAGLBSA-N 290.417 3.736 30 20 CHED CCCCCCCCC(=O)Nc1ccncc1F 123163341 TVHZJFFSVYUFCX-UHFFFAOYSA-N 252.333 3.910 30 20 CHED N#Cc1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1 76776507 UXVDGNACZITSJH-UHFFFAOYSA-N 295.317 3.508 30 20 CHED N#Cc1ccc(F)cc1CN1CCCC2(CCCC2)C1 445866832 PKPIXTOIKLIYAT-UHFFFAOYSA-N 272.367 3.854 30 20 CHED C=CCC[C@@H](C(=O)N(C)C1CCC1)c1ccccc1 188279967 CKKNJPPPEXWLDM-MRXNPFEDSA-N 257.377 3.747 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)[C@H](C)Cc1ccsc1 186294111 PMNLEYBBECYCHD-ZIAGYGMSSA-N 295.448 3.509 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)c1ccc(F)cc1 78796578 OOOMJVIHBFVQNN-UHFFFAOYSA-N 282.318 3.558 30 20 CHED C[C@H]1[C@@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C1(F)F 410931418 UJKIPQTZYHBWPO-XVKPBYJWSA-N 298.358 3.757 30 20 CHED C=CCOc1ccc(COC(=O)c2cc(CC)ccn2)cc1 186192315 QUIKBBLJFCECKH-UHFFFAOYSA-N 297.354 3.566 30 20 CHED CC1(C)C[C@@H](NC(=O)C2(C#N)CCCC2)c2ccccc21 127269695 CEASEIXCNVWVTR-OAHLLOKOSA-N 282.387 3.609 30 20 CHED N#CCc1cccc(NCc2cccc3c2OCCCO3)c1 313486992 ZEZVSYPUTKUBOC-UHFFFAOYSA-N 294.354 3.526 30 20 CHED C=CCCC[C@H](C)NC(=O)CCC(=O)c1ccc(C)s1 182655470 FOJKLULWUIMDAQ-LBPRGKRZSA-N 293.432 3.880 30 20 CHED C=CC[C@@H](C(=O)NCc1ccsc1)c1ccccc1 186700200 XYNOIELUQQTCGU-OAHLLOKOSA-N 271.385 3.724 30 20 CHED CCC[C@H](CNCC1(C#N)CCC1)c1ccccc1 418135515 AWBUMJUZOOCOCH-MRXNPFEDSA-N 256.393 3.854 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc(CC(C)C)c[nH]1 412167480 GSLHMYKJFPLUQE-UHFFFAOYSA-N 289.423 3.615 30 20 CHED C=CCn1cccc1C(=O)NC(C)(C)c1ccccc1C 508058984 OOTLHKMPVWGOLY-UHFFFAOYSA-N 282.387 3.648 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H]1c1ccco1 413855907 NPHMFAIIFHMLSR-HZPDHXFCSA-N 296.370 3.533 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2F)cc1Cl 413780435 IYXHHOHOCMAAQK-CHWSQXEVSA-N 295.745 3.614 30 20 CHED CC[C@@H](C)N(C)Cc1ccc(Br)cc1C#N 336678946 WUZXUZASFOPFPY-SNVBAGLBSA-N 281.197 3.551 30 20 CHED CC(C)c1ccc(NC(=O)N(CCC#N)CC2CC2)cc1 78440181 PBHKQJLGCUBHDW-UHFFFAOYSA-N 285.391 3.968 30 20 CHED N#Cc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1 45027415 YSXVVHVKMHNOFK-UHFFFAOYSA-N 299.761 3.576 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 183244496 BLDRGNHBOBVFJA-NUTKFTJISA-N 297.402 3.909 30 20 CHED CC#CCCCC(=O)Nc1cccc(OCCC)c1 185072556 WGFFXIMZAFMCPF-UHFFFAOYSA-N 259.349 3.608 30 20 CHED N#Cc1ccc(F)cc1CSCc1ccc(CO)cc1 180725321 BWSPFBXMDYIDLC-UHFFFAOYSA-N 287.359 3.623 30 20 CHED Cc1c(C(=O)N(C)c2ccccc2C#N)oc2ccccc12 508077079 BACSZZQSNRUMPF-UHFFFAOYSA-N 290.322 3.890 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2c(F)ccc(F)c21 410569892 GYYSDQSIESINAN-UHFFFAOYSA-N 279.330 3.846 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1cccc(C#N)c1C 410587812 FXXTVYIOSMUGPU-UHFFFAOYSA-N 293.370 3.946 30 20 CHED N#Cc1ccc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)cc1 132437017 AKVFJMAOTPXROQ-RCCFBDPRSA-N 260.340 3.556 30 20 CHED N#CC1CCN(CCCSCc2ccccc2)CC1 131594030 MFPUIZYZBWMUGP-UHFFFAOYSA-N 274.433 3.545 30 20 CHED N#CC1(CCN2CCCc3occc3C2)CCCCC1 411756201 SCVPXSOWSDIBJP-UHFFFAOYSA-N 272.392 3.892 30 20 CHED C[C@]1(C#N)CCCN(CC2CCC(C(F)(F)F)CC2)C1 613540369 OVDFHGKITJGXLI-JXQTWKCFSA-N 288.357 3.981 30 20 CHED CCOC[C@@H]1CCC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 417372666 WFFOPTPYPMYUSO-QXAKKESOSA-N 298.430 3.730 30 20 CHED C=CCCCN[C@H](COC)c1ccc(Cl)cc1 193676823 ZGCUIBBCTFGNLX-CQSZACIVSA-N 253.773 3.583 30 20 CHED Cc1nc(C)c(C/N=C(/O)c2cccnc2C2CC2)s1 329503516 GVKCXGHORXCVRK-UHFFFAOYSA-N 287.388 3.537 30 20 CHED C=C(C)CCN(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 509363923 CMFZAZLAPNQSOF-IEBWSBKVSA-N 286.463 3.938 30 20 CHED COc1ccccc1[C@H](C)[S@@](=O)Cc1cccc(C#N)c1 80150180 IDLFOUIIAOXKPG-YEJXKQKISA-N 299.395 3.577 30 20 CHED C#CCCCC(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 192350330 WQGJKMONDXQING-HLLBOEOZSA-N 269.388 3.583 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1ccc(F)c(C#N)c1 82271833 NSHDKVXQKPVWMN-UHFFFAOYSA-N 276.355 3.642 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1nccc2ccccc12 424321157 GUARZRAPYMGRPW-VNHYZAJKSA-N 265.360 3.578 30 20 CHED O/C(=N/C1CCC(F)(F)CC1)c1cc(O)nc(C2CC2)c1 329999585 UYSLAZZZAUJQCM-UHFFFAOYSA-N 296.317 3.547 30 20 CHED N#CCCSc1nc(C2CCCCC2)ns1 420623927 FZOFIGYHKYPLPG-UHFFFAOYSA-N 253.396 3.592 30 20 CHED C=CCC[C@@H](C(=O)NC[C@@H]1CC1(C)C)c1ccccc1 426835585 RQIZGFMQXLKHGD-JKSUJKDBSA-N 271.404 3.899 30 20 CHED N#Cc1ccc(Oc2ccc(Oc3ccccc3)nc2)nc1 428670624 SRGPASYACQHQON-UHFFFAOYSA-N 289.294 3.933 30 20 CHED C=CC[C@H](C(=O)N1CCC(C)(C)CC1)c1ccccc1 427121036 WLSSGRZOQOAODU-INIZCTEOSA-N 271.404 3.995 30 20 CHED COc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCS2 424337528 ZJMMTRBBNJULSB-YWPYICTPSA-N 288.416 3.514 30 20 CHED C=CCC1(C(=O)Nc2cc(OC)ccc2OCC)CCC1 191897792 XQNUYQXTUFTWSK-UHFFFAOYSA-N 289.375 3.779 30 20 CHED C=CCN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 519344356 IBLMQQZFWAKDHU-CYBMUJFWSA-N 290.165 3.692 30 20 CHED CSCC[C@H](C)N(C)CC#Cc1ccc(Cl)cc1 426995773 UECAHZGYHBZKBP-ZDUSSCGKSA-N 281.852 3.765 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2c(s1)C[C@@H](C)CC2 426566004 DIGUPKIYAZNQLU-QWHCGFSZSA-N 276.449 3.808 30 20 CHED N#C[C@H]1CC[C@H](N2CCCn3c(cc4ccccc43)C2)C1 335815657 FJNMMUCLTVATBM-HOCLYGCPSA-N 279.387 3.539 30 20 CHED CCOC(=O)C[C@@H](C)C/N=C/c1c(O)ccc2ccccc12 89574580 SCGYEPZNEAVGOD-KZKLBEMASA-N 299.370 3.554 30 20 CHED Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 339070639 CKSVZSHBXAASSM-JLJPHGGASA-N 294.402 3.524 30 20 CHED Cc1ccc(-c2ncc(CN[C@@H]3CC[C@H](C#N)C3)s2)cc1 424191761 HYUAXVUSUVCNJR-DZGCQCFKSA-N 297.427 3.900 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](CCCN)c1ccccc1 423513925 VURVHYWFSVPHTB-UXLLHSPISA-N 260.425 3.657 30 20 CHED N#CC1(c2ccccn2)CCN([C@H]2/C=C/CCCCC2)CC1 336511124 YBYCNHILAIFKFP-AUNFYEFLSA-N 295.430 3.828 30 20 CHED C=C(C)COC(=O)CCCCOc1cc(C)ccc1C 195682655 IXZVQJSFCANDGL-UHFFFAOYSA-N 276.376 3.972 30 20 CHED C#CCCCC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 192172200 GVUMTZFMUCRDRT-BBRMVZONSA-N 285.387 3.698 30 20 CHED CCC(CC)/N=C(/O)Nc1cc(C)cc(OC)c1C 331171097 UOAKAIDKZLFVNC-UHFFFAOYSA-N 264.369 3.827 30 20 CHED C=C(C)COCCN[C@H](CC)c1ccc(OC(F)F)cc1 90451134 WIWRJAMQYAEOKV-OAHLLOKOSA-N 299.361 3.921 30 20 CHED CC1(C#N)CCC(Nc2ccc(N3CCCC3)cn2)CC1 333525048 HURCLPBAPPEPFC-UHFFFAOYSA-N 284.407 3.566 30 20 CHED C[C@H]1CCCC[C@H]1Nc1nc(Cl)c(C#N)s1 235543755 XZVFHAUADDDCKZ-JGVFFNPUSA-N 255.774 3.659 30 20 CHED C=CCN(CC=C)C(=O)c1cc2cccc(C)c2o1 148929274 BJBGQAAWHIYZQJ-UHFFFAOYSA-N 255.317 3.555 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccsc1Cl 335874697 NRSDNEWQOCWTDW-UHFFFAOYSA-N 268.750 3.587 30 20 CHED C=CCCC1(C(=O)N2CCc3cc(F)cc(C)c3C2)CC1 337264411 ZXNXWXZJMHPVDB-UHFFFAOYSA-N 287.378 3.765 30 20 CHED C[C@H](CNc1nc(Cl)c(C#N)s1)c1ccccc1 235488176 LXSBMIDANKENIT-SECBINFHSA-N 277.780 3.884 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(C#N)c1C 337975007 BMPDONFLKKTKCZ-UHFFFAOYSA-N 290.366 3.695 30 20 CHED N#Cc1cccc(/C=C\c2ncc(Br)s2)c1 434636407 ZKYQHZPFNHGAJX-PLNGDYQASA-N 291.173 3.948 30 20 CHED C[C@H](CC(=O)Nc1ccccc1)Nc1ccc(CC#N)cc1 237514806 BYLKLZLIMXDMHS-CQSZACIVSA-N 293.370 3.582 30 20 CHED C=CCCC(=O)Nc1ccc2sc(C(=O)O)cc2c1 238010106 BHLHOMZIJQKJAD-UHFFFAOYSA-N 275.329 3.504 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H](C(C)(C)C)C1 338002260 YPSPQVWKZBNXQK-HNNXBMFYSA-N 284.403 3.765 30 20 CHED Cc1cc(=N[C@@H](C)c2cc3ccccc3o2)cc(C#N)[nH]1 436668005 WFVDBHPQJQRKIF-LBPRGKRZSA-N 277.327 3.603 30 20 CHED N#CCc1ccc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)cc1 435643788 GKZNGNVTFRNGGD-GJZGRUSLSA-N 282.387 3.908 30 20 CHED CC[C@H](CC#N)N[C@@H]1CC[C@](C)(c2ccccc2)C1 249953184 VJPUSILAFQLTGD-ZACQAIPSSA-N 256.393 3.779 30 20 CHED Cc1cc(CNCc2cccc(C#N)c2)cc2cccnc12 344129885 VETBYUSOBPYGHZ-UHFFFAOYSA-N 287.366 3.705 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CCC(CC)CC1 435752270 XGAVCOMPYQYHML-GYTBAZASSA-N 251.414 3.526 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)[C@H]1C[C@H]2CC[C@H]1C2 247355631 PTYFYKCRUOSFNI-OXJKWZBOSA-N 260.406 3.534 30 20 CHED CCc1ccc(-c2csc(NC(=O)[C@@H](C)C#N)n2)s1 347063815 HQSCMKVYWHPFJJ-QMMMGPOBSA-N 291.401 3.532 30 20 CHED CCS[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 344726223 QREPDHKZHHDWSM-GJZGRUSLSA-N 292.423 3.851 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ncsc1C(F)(F)F 527170428 JNHSVIDWWWSIBK-QMMMGPOBSA-N 292.326 3.637 30 20 CHED C=CCN(Cc1cccs1)CC1(SC)CC1 347653608 OIJPBEQEPRPMIR-UHFFFAOYSA-N 253.436 3.632 30 20 CHED C[C@H]1CC[C@@H](c2ccccc2)N(Cc2cc(C#N)n(C)c2)C1 348631714 FTCWENHLTYABTI-KXBFYZLASA-N 293.414 3.870 30 20 CHED N#Cc1ccnc(NCC2(Sc3ccccc3)CC2)c1 342229828 VNSJVGBPORSEGT-UHFFFAOYSA-N 281.384 3.690 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(OCC)CCCC1 341184280 ISESEKBFOHMQHL-UHFFFAOYSA-N 293.432 3.612 30 20 CHED CC(=O)c1ccc(NCc2cccc(C#N)c2F)cc1C 342553421 GDVBORZOMDDOHY-UHFFFAOYSA-N 282.318 3.821 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(C#N)c(F)c1 348203861 DWCBXFGVZBYMRY-GFCCVEGCSA-N 273.355 3.678 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)c(Cl)c1 522661379 VEGVQTLTPCDJQM-JTQLQIEISA-N 252.745 3.735 30 20 CHED CN(Cc1ccc(C#N)cc1F)[C@@H]1CCc2ccccc2C1 524424168 ZJBWMEPONQNNJS-GOSISDBHSA-N 294.373 3.687 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)Nc2ccccc2C#N)CC1 245509438 KGGHBBPOZXUJMH-HDJSIYSDSA-N 270.376 3.959 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 527302780 HMHZATZANKYCRC-JKGQDXBKSA-N 282.343 3.550 30 20 CHED N#CCc1ccc(CSc2nnc(C3CC3)s2)cc1 342232835 ODMDYLAFZFTYJF-UHFFFAOYSA-N 287.413 3.774 30 20 CHED CC[C@@](C)(NC[C@H](C)CCC#N)c1ccc(F)cc1 602726714 AFVAVGFIDMZMDB-CZUORRHYSA-N 262.372 3.980 30 20 CHED CC(C)C[C@H](NC(=O)[C@H](C)C#N)c1ccc(Cl)cc1 346420763 ZVGMVRXHNQJHTJ-RISCZKNCSA-N 278.783 3.703 30 20 CHED Cc1cccc(C)c1NCCOc1ccc(C#N)cc1 344140953 PZIYJBLRUUZCKB-UHFFFAOYSA-N 266.344 3.666 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1Nc1cccc(C#N)n1 435597586 KCLVWLXJJCVRGT-HZPDHXFCSA-N 287.407 3.739 30 20 CHED C=CC[C@H](C)NC(=O)NCc1csc2ccccc12 342080348 XTZBCAGJPBHOFB-NSHDSACASA-N 274.389 3.665 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2sc(C)nc2c1 528998324 NZJMVWKBDCXQNP-UHFFFAOYSA-N 287.388 3.873 30 20 CHED COc1c(F)cc(F)cc1NCc1cccc(C#N)c1F 342558178 OHSSDWWSHFJOQT-UHFFFAOYSA-N 292.260 3.596 30 20 CHED Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1C 254696740 ATJIOBDMUBXYPE-UHFFFAOYSA-N 270.288 3.668 30 20 CHED CSCCc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 442892534 VKQZJECXMVJKRV-HIFRSBDPSA-N 260.406 3.696 30 20 CHED N#Cc1ccnc(SCc2cc(-c3ccccc3)on2)c1 603726950 QKYOKHLIASLFPO-UHFFFAOYSA-N 293.351 3.901 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2ccco2)cc1 255336345 WHTBDJSGYUINHU-HJWRWDBZSA-N 278.311 3.874 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)cc1 521269588 HGAGYYOYNHLOLH-TZMCWYRMSA-N 256.349 3.713 30 20 CHED N#Cc1c(F)cccc1N1CCCO[C@H](c2ccccc2)C1 609233184 RXRWYQRQRCVOGA-SFHVURJKSA-N 296.345 3.665 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1ccc(Cl)c(F)c1 441407230 SUXUBVAURBYHAA-NSHDSACASA-N 299.773 3.813 30 20 CHED C[C@H](C#N)CN[C@H](C)[C@H](C)c1ccc(Cl)cc1 527235484 SPIWEBRISOEBPD-GRYCIOLGSA-N 250.773 3.581 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H](c2ccccc2)C1 602670927 SDJUWQBUPQZOJK-WBVHZDCISA-N 256.393 3.806 30 20 CHED C=CCOc1ccc(C(=O)NCCc2ccc(C)cc2)cc1 604747286 UWZHLLLXWUJINO-UHFFFAOYSA-N 295.382 3.532 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H]2CCCC[C@H]21 603662357 UDQWTQXLPXOXHS-JLSDUUJJSA-N 268.404 3.959 30 20 CHED C=CCCCC[C@H](C)N[C@@H](COC)c1ccco1 449178774 UOZMSGXHJXMJQQ-KBPBESRZSA-N 251.370 3.692 30 20 CHED CC[C@H](NC(=O)c1cccc(CC#N)c1)C1CCCCC1 604569820 NDAKSVGEUGIJNI-KRWDZBQOSA-N 284.403 3.841 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)CCc1ccccc1 527891662 CIPBNEAMTXYZBL-FHWLQOOXSA-N 287.447 3.969 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CSc3ccccc32)C1 447539540 HBDURTINCVIAHA-DYEKYZERSA-N 258.390 3.505 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)/C=C\c1cccs1 255054564 PBXLZWROCOEHEK-SREVYHEPSA-N 299.399 3.828 30 20 CHED C=CCC[C@H](NCCC(=O)OC(C)(C)C)c1ccco1 353519947 NZPBRARYKFVGPX-ZDUSSCGKSA-N 279.380 3.608 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)C(C)(C)C 448133879 DJFPPLUHZCVPHQ-GFCCVEGCSA-N 265.422 3.945 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1cccc(Cl)c1 602433232 MFFVMZSQLFEWCJ-LBPRGKRZSA-N 250.773 3.712 30 20 CHED CC(C)CCN(CCC#N)C(=O)CCc1ccc(F)cc1 264075242 OSJYOHSFYHGZRE-UHFFFAOYSA-N 290.382 3.547 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCc2c(Cl)cccc21 602523536 ZIRRRDJBZLPLJR-NHYWBVRUSA-N 262.784 3.857 30 20 CHED C=CCOc1cccc(NC(=O)C(C)(C)c2cccnc2)c1 350736615 LBMCYLNVIXETKK-UHFFFAOYSA-N 296.370 3.563 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1 619673639 NZCPQMMRVLNXJP-SGTLLEGYSA-N 278.355 3.602 30 20 CHED COc1c(F)cc(F)cc1NCC(C)(C)CCC#N 355438292 WFCITHPQHLSJEK-UHFFFAOYSA-N 268.307 3.715 30 20 CHED COCCOc1cccc(CNc2cc(C#N)ccc2C)c1 354854519 QNRNEUAZBZDWBS-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cccc(-c2ccncc2)c1 449547119 GOIPPXMYSFUTSN-MOPGFXCFSA-N 294.398 3.572 30 20 CHED CC(C)(c1noc(-c2cc(C#N)c[nH]2)n1)C1CCCCC1 445511671 FSRFZNLOEQWGFP-UHFFFAOYSA-N 284.363 3.794 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cnc(C(C)C)s2)C1 617782250 AVFGEEQWYWBMKI-GFCCVEGCSA-N 278.421 3.695 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(SC)ccc2O)C1 617779096 VKZDERUTGKOMSD-LBPRGKRZSA-N 291.416 3.542 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN1CCCC(C)(C)[C@H]1C#N 444720951 QMOBBIFNIAJJHX-OWCLPIDISA-N 278.440 3.596 30 20 CHED COc1ccc(C(C)(C)C)cc1NC(=O)CC(C)(C)C#N 618623189 JQDQBSKRBZZPDM-UHFFFAOYSA-N 288.391 3.871 30 20 CHED Cc1cc(CNC[C@H]2CCc3ccccc32)ccc1C#N 443996944 LDXBJXOVUWZHCO-GOSISDBHSA-N 276.383 3.686 30 20 CHED C=CCOc1ccc(CN2CCC(C=C)CC2)cc1OC 353603629 HJWQUXPDNIMFST-UHFFFAOYSA-N 287.403 3.658 30 20 CHED C=CCCNC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 617615718 YINAMSKCEZNLJA-JTQLQIEISA-N 286.202 3.864 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C(C)C)nc2)C1 617782961 PXUYRALGGQYNJD-AWEZNQCLSA-N 272.392 3.633 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2cccc(CC#N)c2)C1 455920057 NDNFQHKVMUAJTO-HIFRSBDPSA-N 285.391 3.843 30 20 CHED C=C(C)CNC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 454840063 QLCQHQOWZRLXSY-MRXNPFEDSA-N 284.403 3.889 30 20 CHED Cc1nnc(N2CC3(CCC3)c3ccccc32)c(C#N)c1C 616388259 VUSUDFPKXJAYDP-UHFFFAOYSA-N 290.370 3.539 30 20 CHED CCN(CCC1CC1)C(=O)Nc1cc(C)cc(C#N)c1 455949258 CNCZKRPXVIZMAY-UHFFFAOYSA-N 271.364 3.521 30 20 CHED C=CCC[C@@H](O)CN1CC=C(c2ccc(CC)cc2)CC1 536744347 XIYRCFVUFFVGSG-LJQANCHMSA-N 285.431 3.665 30 20 CHED C/C=C/c1ccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 455435558 AXSKSTLBCZRVOR-JCSQBOLZSA-N 283.375 3.924 30 20 CHED CC1(C)C[C@@H]1CN[C@H]1CCCc2cc(C#N)ccc21 611394200 SLRHCDMIYADRJT-ZBFHGGJFSA-N 254.377 3.571 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@H]1CC(C)(C)c2ccccc21 458583715 ZWSVOWHQZKFNLL-HNNXBMFYSA-N 299.418 3.648 30 20 CHED CCSCc1ccc(NC(=O)[C@](C)(C#N)CC)cc1 456491987 LRQPSBXAYTUVKG-HNNXBMFYSA-N 276.405 3.818 30 20 CHED Cc1ccsc1CNC(=O)c1ccc(C#N)c(Cl)c1 548611161 HOCYJASMCHUIRQ-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C=C[C@H](Cc1nc([C@@H]2C[C@H]2C)no1)c1ccccc1 546486600 VXTDGSXRUZDNLG-YRGRVCCFSA-N 254.333 3.705 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Cl)c(C#N)c1 543454919 NFBBFTAGAXKWRB-ZWNOBZJWSA-N 276.767 3.615 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)Cc1cccc(F)c1 277971195 SGGYBRZKRVAFHW-LJQANCHMSA-N 281.396 3.794 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCCCCC#N)C2)cc1 278386352 DGTGRZWDRWXESH-DOTOQJQBSA-N 299.418 3.576 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)NCC#Cc1ccccc1 466248612 DTPSBQQHHJMOKI-SFHVURJKSA-N 298.430 3.648 30 20 CHED CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H](C)C#N 467522946 ODKUQQFKXJIMSD-CYBMUJFWSA-N 276.355 3.504 30 20 CHED C=CCC1(NCc2nc(C(C)(C)C)no2)CCCCC1 625937785 UQWWOQNXTKMQRK-UHFFFAOYSA-N 277.412 3.736 30 20 CHED CC#CCCOc1ccc2cc(C(C)=O)ccc2c1 462353300 ACTTWNBUIWENJI-UHFFFAOYSA-N 252.313 3.835 30 20 CHED CC#CCCNC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 544579674 XNTWORGMEOKDQN-LLVKDONJSA-N 298.213 3.702 30 20 CHED CC[C@H](Nc1cc(C#N)ncn1)c1cccc(Cl)c1 559495473 OSKDZHMEVPCQDG-ZDUSSCGKSA-N 272.739 3.565 30 20 CHED O=C1CCc2c1ccc(OCC#Cc1ccc(F)cc1)c2F 553837306 UGYIFVNNQYKGDR-UHFFFAOYSA-N 298.288 3.524 30 20 CHED C=CCC[C@H](NC[C@H](C)N1CCC[C@@H](C)C1)c1ccco1 552224214 OBZBRNVVIPIJBG-IKGGRYGDSA-N 290.451 3.997 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2ccnc(F)c2)s1 285232910 SWVLFXDJYFGUQH-SNAWJCMRSA-N 290.363 3.871 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(F)cc1C(F)(F)F 281307156 JJGLXDIPZGGTGW-SNVBAGLBSA-N 289.272 3.929 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1CCCCC12CCCC2 463307180 HUDFAHFKKRUBRD-KGLIPLIRSA-N 264.413 3.753 30 20 CHED C=CC[C@@H](C(=O)Nc1ccn(C(C)C)n1)c1ccccc1 280467448 MMYTWQDUOVAFBR-OAHLLOKOSA-N 283.375 3.762 30 20 CHED C#CC[C@H](NC/C(Cl)=C/Cl)c1ccccc1 381540139 HIKMGCOUFMOMBX-SUIFULHWSA-N 254.160 3.660 30 20 CHED C=CCC(CC=C)C(=O)NCc1c(F)cccc1SC 552260089 KZJJTZZXPIYTCO-UHFFFAOYSA-N 293.407 3.932 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CC)cc1 465044677 WNZPADXSJYXKSC-XJKSGUPXSA-N 273.376 3.560 30 20 CHED CCC(=O)c1ccccc1NC(=O)C(C#N)(CC)CC 637702359 XMVWLGRFJFZJJU-UHFFFAOYSA-N 272.348 3.548 30 20 CHED C=CCc1ccc(OCc2scnc2C)c(OC)c1 289338737 FOQPJYRJHWRFDL-UHFFFAOYSA-N 275.373 3.768 30 20 CHED CC[C@@H](Nc1cc(C#N)ncn1)c1cccc(Cl)c1 559495471 OSKDZHMEVPCQDG-CYBMUJFWSA-N 272.739 3.565 30 20 CHED CC1(C)CCN(C(=O)C2(C#N)CCCC2)c2ccccc21 554799645 QBRMKLZAUVDZMD-UHFFFAOYSA-N 282.387 3.785 30 20 CHED C=CCCCCCCCCNC(=O)N[C@H]1CCCOCC1 806081508 OQBOMKLIEZHPBY-INIZCTEOSA-N 296.455 3.771 30 20 CHED C#CCCc1noc(-c2ccc(C3CCC3)cc2)n1 809397424 RXKJQTCLFQADOJ-UHFFFAOYSA-N 252.317 3.570 30 20 CHED C=CCCCCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 471583378 YWFROPXJWDJYSJ-ZDUSSCGKSA-N 286.419 3.923 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 294377505 HDZRNOCYPFVMCD-GOSISDBHSA-N 298.386 3.886 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(OC(C)C)cc2)no1 809321056 QCKBITHETSGVDA-UHFFFAOYSA-N 284.359 3.825 30 20 CHED CSc1ccc(C(=O)/C=C/c2cn(C)cn2)c(Cl)c1 800794927 UTEAMNQWCDVTDI-ZZXKWVIFSA-N 292.791 3.692 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CC[C@H]2C2CC2)c1 806145731 FWHDTZYGHKHVKI-NJAFHUGGSA-N 284.403 3.646 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 642112973 SHNGFSRQJSLTMW-YESZJQIVSA-N 269.388 3.637 30 20 CHED CCc1c(C(C)=NN[C@@H]2CCSC2)oc2ccccc12 808004400 NVXHURMKXYXPRB-GFCCVEGCSA-N 288.416 3.814 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 563608012 KHAYZMWROWXIPW-JKSUJKDBSA-N 282.387 3.908 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2c(c1)CCCCC2=O 564138921 YVRILEJXLVBZQY-OAHLLOKOSA-N 285.387 3.680 30 20 CHED N#CCCCC(=O)Nc1ccccc1SC(F)(F)F 291375811 BKXKKYOPLZESRF-UHFFFAOYSA-N 288.294 3.931 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@H](CC)c1ccccc1OC 809281261 URDSKGHANYPGFO-OAHLLOKOSA-N 287.403 3.654 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cccc(-c2ccccc2)c1 806759721 SWFBGSXWKZWWBZ-CQSZACIVSA-N 278.355 3.839 30 20 CHED Cc1cc(N(C)[C@@H](C)c2ccc(F)c(F)c2)cc(C#N)n1 561141688 HWXHARPNTTVYOD-NSHDSACASA-N 287.313 3.737 30 20 CHED C#Cc1ccc(CN[C@H](c2ncccc2C)C(C)C)cc1 290514805 XEKZKKRUZCLDDW-SFHVURJKSA-N 278.399 3.858 30 20 CHED COc1ccc(CSCCO[C@H](C)C#N)cc1Cl 801659686 OQYMWRWHAOTOTH-SNVBAGLBSA-N 285.796 3.510 30 20 CHED C=CC[C@@H]1N(C(=O)C2C[C@@H](C)O[C@H](C)C2)CCCC1(C)C 470283455 DLYQLCGTZFFXJU-FMKPAKJESA-N 293.451 3.783 30 20 CHED CC[C@@H](O)c1ccc(OCc2ccc(CC#N)cc2)cc1 398966350 RIAKPRIZPLUSLH-GOSISDBHSA-N 281.355 3.775 30 20 CHED C=CCC1(C(=O)N2CCC(F)(F)CC2)CCCCC1 649888913 DVLPZWGKPGXGME-UHFFFAOYSA-N 271.351 3.771 30 20 CHED C[C@H](C#N)CNN=C1CCCC[C@H]1C1CCCCC1 814881886 ZTHXVZYIOVLZNA-HIFRSBDPSA-N 261.413 3.862 30 20 CHED C[C@@H]1C(=NNc2cccc3ncccc23)CC[C@@H]1CC(=O)O 814804546 UMEWMGMAPGYNTL-NWDGAFQWSA-N 297.358 3.524 30 20 CHED CC[C@@H]1CCCC1=NN[C@@H](C)COc1ccccc1 811665753 UABFYBKPOHLDHE-UONOGXRCSA-N 260.381 3.610 30 20 CHED Cc1ccnc(N2C[C@@H](C)C[C@@H]2c2ccccc2)c1C#N 561446912 HIUAQVMBIJWJCB-SUMWQHHRSA-N 277.371 3.849 30 20 CHED N#C[C@H](C(=O)[C@H]1CC2CCC1CC2)c1nc2ccccc2o1 815915089 CSCVDECYVPJOMB-CLRIEMFWSA-N 294.354 3.830 30 20 CHED N#C[C@H]1CCCC(=NNc2ccc(Cl)cc2[N+](=O)[O-])C1 814809568 GOIMCKGODSAKHJ-VIFPVBQESA-N 292.726 3.730 30 20 CHED CCCOc1ccc(/C=C\c2ncccc2C#N)cc1OC 486073308 HCZLHKNWBRYLEJ-VURMDHGXSA-N 294.354 3.921 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(Br)c(F)c1 489480128 ABSMPKUGRBNILQ-SNVBAGLBSA-N 299.187 3.933 30 20 CHED COc1ccc(CN[C@@H](C)c2ccc(F)cc2C)cc1C#N 815596926 IGVRLTYATQPXJX-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED CC(C)Oc1cccc(C=NOC/C=C/Cl)c1 811668519 HKIDVSDTVGRTGN-ZPEYGQBVSA-N 253.729 3.577 30 20 CHED Cc1cccc2c1N(C(=O)c1cc(C#N)ccc1Cl)CC2 572827733 GIMOLOTWGMSDDN-UHFFFAOYSA-N 296.757 3.723 30 20 CHED Cc1nc(N2CCC[C@@H]2/C=C/c2ccccc2)ccc1C#N 488096046 CNBVQEFYRFTSAD-SXAWMYDMSA-N 289.382 3.944 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](CC)Cc1ccccc1 488752730 PDZFNAQCHKAQME-KRWDZBQOSA-N 296.414 3.767 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ncccc1Cl 814810359 JDPQRELATUNNLW-JTQLQIEISA-N 276.771 3.853 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(F)F)cc1F 653784240 KKPUPHYQKWDHLI-SNVBAGLBSA-N 271.282 3.848 30 20 CHED C#CCOc1ccc(-c2nc(-c3sccc3C)no2)cc1 810316337 YTTVWQDKQBBYNT-UHFFFAOYSA-N 296.351 3.786 30 20 CHED C=CC[C@@H](NC(=O)CC(C)(C)C1CC1)c1ccncc1 815622830 GNKHESGJQKNRON-OAHLLOKOSA-N 272.392 3.641 30 20 CHED Cc1ccc(OC(=O)c2cc3ccccc3n2CC#N)cc1 729305327 PJAGHLNBFXOEJM-UHFFFAOYSA-N 290.322 3.693 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2c(C#N)cccc2[N+](=O)[O-])o1 571076021 IGMBRSRNPWABPH-MFKMUULPSA-N 297.314 3.795 30 20 CHED C=C(CNC(=O)NCC1(C)CCCC1)c1ccccc1 495277776 LXFUKYFHKDNKFP-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C=CCCOC(=O)[C@@H](C)Sc1ccccc1Cl 729072727 WHIRMTSAPDPDIQ-SNVBAGLBSA-N 270.781 3.940 30 20 CHED C=CCCC(=O)N(CCC)CCc1cccc(F)c1 499551005 CRTFSSOEYNFQMT-UHFFFAOYSA-N 263.356 3.573 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)C[C@H](OC)C3)CCCC1 828279700 ALNGWBBFJVKFTE-QGZVFWFLSA-N 299.414 3.875 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC(CCC#N)CC1 575318505 USWLZAGBLUTZAL-CVEARBPZSA-N 276.424 3.745 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccc(OC(C)(C)C)nc1 495444807 MKCZYXNGBDQRPD-ZIAGYGMSSA-N 276.424 3.949 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(C)nc1C 666315177 UGNSGMVZSCGAQX-UHFFFAOYSA-N 261.369 3.565 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(OCC#N)cc1 729267314 QQCAXZPDKDBLOY-UHFFFAOYSA-N 294.398 3.654 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)Cc2ccsc2)C1 660438820 GCBHFRVCTGUEDA-KGLIPLIRSA-N 292.448 3.677 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](CC)c1ccc(Cl)s1 491804383 LPZZPQJVSBVMES-NXEZZACHSA-N 284.812 3.516 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(CN(C)C)cc1C 909603139 YNJGQRCNOSXEAH-QGZVFWFLSA-N 274.408 3.597 30 20 CHED C=CCC1(C(=O)NOC2CCCCC2)CCCC1 829053309 YKVJTCGEVYPMQT-UHFFFAOYSA-N 251.370 3.503 30 20 CHED CC(CCc1ccccc1F)=NNc1nccnc1Cl 734096821 YCXJPBQGZKEDIS-UHFFFAOYSA-N 292.745 3.690 30 20 CHED C=CCN(C(=O)NCC[C@@H]1CCCC[C@H]1C)C(C)C 734071099 GREZHOBAYZXHPD-CABCVRRESA-N 266.429 3.809 30 20 CHED CC[C@H](C)[C@H](C)N(Cc1ccc(OCC#N)cc1)C1CC1 732200811 APUQEDJBPOULQM-GJZGRUSLSA-N 286.419 3.988 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCc2c(Cl)cccc21 588153462 VGMBVRNWHRZPEJ-OAHLLOKOSA-N 290.794 3.918 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)C1CC1 734269969 OVKZKBBAPYGEBT-ZDUSSCGKSA-N 254.418 3.787 30 20 CHED CCCCCCO[C@H](C)C(=O)Nc1cccc(C#N)c1C 839707514 FXBLMWWANARWAJ-CQSZACIVSA-N 288.391 3.791 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c1 836253894 OMLGGAPICFWTGC-DLBZAZTESA-N 284.403 3.812 30 20 CHED Fc1cc(F)c(NN=Cc2c(F)cccc2F)cc1F 734302713 LFJDMQQUPZZQKP-UHFFFAOYSA-N 286.203 3.828 30 20 CHED N#Cc1cccc(C(=O)N2CCCC3(CCCCC3)CC2)n1 589461114 HQBSEENYUKVQOR-UHFFFAOYSA-N 297.402 3.530 30 20 CHED CC[C@H](NCc1ccnc(SC)c1)c1cccc(C#N)c1 902849093 FZKOOKQPDWAIFJ-INIZCTEOSA-N 297.427 3.916 30 20 CHED CCC#C[C@H](C)Sc1nnc(-c2ccccc2C)n1C 677131626 QFCZMQOMVCSCHA-ZDUSSCGKSA-N 285.416 3.685 30 20 CHED C[C@H]1CCCC(=NN=c2cc[nH]c3ccccc23)C1 730146593 BTDGOGHHBBBKET-LBPRGKRZSA-N 253.349 3.635 30 20 CHED C#CCOc1cccc(Oc2cccc(F)c2C#N)c1 730567134 KYIIBJBEDHMVIW-UHFFFAOYSA-N 267.259 3.502 30 20 CHED CC[C@](C)(C#N)c1nc([C@@H]2CCc3ccccc3C2)no1 589132297 JWKIEXMZSDRKOB-RHSMWYFYSA-N 281.359 3.533 30 20 CHED N#Cc1ccsc1C(=O)OC[C@H]1CCCCC1(F)F 835639541 VDIRAXCJFWBTGU-SNVBAGLBSA-N 285.315 3.602 30 20 CHED Cc1nc(Sc2snc(C)c2C#N)sc1C 588821249 CIXONEDMXPNGIA-UHFFFAOYSA-N 267.404 3.548 30 20 CHED C#CC[C@H](NC(=O)N[C@]1(C)CC=CCC1)c1ccccc1 838535004 LGMGQZYCKDKDJH-FUHWJXTLSA-N 282.387 3.549 30 20 CHED CC(C)(C/N=C/c1ccccc1O)c1cccc(F)c1 735619776 QYCDIBJRYQJAMQ-YBFXNURJSA-N 271.335 3.928 30 20 CHED Cc1sccc1C(=O)O[C@H](C#N)C1CCCCC1 835343234 WQILEXTYOUFMKY-CYBMUJFWSA-N 263.362 3.686 30 20 CHED C=CCCCCN[C@H](C)c1ccc2nc(O)oc2c1 671761046 KAMARNUPZNGAEW-LLVKDONJSA-N 260.337 3.540 30 20 CHED C#CCC[C@H](C)OC(=O)c1cnn(C2CCCC2)c1CC 839037581 DDMBBFYWDOCHBJ-ZDUSSCGKSA-N 288.391 3.519 30 20 CHED CCCC[C@@H](C(=O)NCc1cccc(C#N)c1)C(C)C 598659744 NABWENKJPQSOGH-MRXNPFEDSA-N 272.392 3.637 30 20 CHED N#CC[C@@H]1CCCN(C/C=C\c2ccc(F)c(F)c2)C1 597176168 GDAWYGNAONBLMS-VXYRWZGASA-N 276.330 3.604 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1sccc1C 678860028 CTOFHDWIPKCTSJ-ZDUSSCGKSA-N 280.437 3.943 30 20 CHED Cc1ccc(C)c(OCCCN2CCC[C@H](CC#N)C2)c1 595611096 GUUSTSTWTFCMOK-QGZVFWFLSA-N 286.419 3.698 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CC[C@@H](C)C2)c1 742371015 FSRLKSAJPDKOHF-FVQBIDKESA-N 272.392 3.646 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1c1ccc(C#N)cn1 596318476 WGGRCZWGBNUQTG-INIZCTEOSA-N 277.371 3.912 30 20 CHED CCCCCCCCC(=O)NCc1cc(CC)no1 741192030 XLZASJOSVYHZNL-UHFFFAOYSA-N 266.385 3.604 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@H](CC#N)C1 597901898 NUWFOVDKGXOKDJ-SJORKVTESA-N 298.430 3.716 30 20 CHED C#CCN(C(=O)[C@H](C)c1cccc(OC)c1)C1CCCCC1 743690021 MIEBNSLTPRXTNF-OAHLLOKOSA-N 299.414 3.593 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N2CCC[C@H](CC#N)C2)cc1 597910060 VAWCXLNDPBVBHN-DOTOQJQBSA-N 298.430 3.895 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccnn1CC1CC1)CC2 849247901 YUDFFDLWOFAUDO-WJDWOHSUSA-N 292.382 3.814 30 20 CHED C[C@@H](N(C)Cn1ccc(-c2ccc(C#N)cc2)n1)C(C)(C)C 744129142 BTPVAOHIYXKUBJ-CQSZACIVSA-N 296.418 3.746 30 20 CHED CC(C)Oc1cccc(COc2cccc(OCC#N)c2)c1 842108949 VYDBHDQKXYLJHG-UHFFFAOYSA-N 297.354 3.955 30 20 CHED CCC[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593990142 DBKYXFXIDBXEBN-QAPCUYQASA-N 298.430 3.776 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1[C@H]2CC[C@H]1CC(C)C2 596800704 KUMZJRZTASLBEK-GJZGRUSLSA-N 283.375 3.662 30 20 CHED C=CCCCCCCNC(=O)Nc1cc(N)ccc1C 841317288 UIZJYJHAVVTWPV-UHFFFAOYSA-N 275.396 3.835 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(C)c2ccccc12 840628170 RURINKMKXDNVFX-LBPRGKRZSA-N 253.301 3.607 30 20 CHED Cc1ccc(CN/C(=N/CCF)Nc2ccccc2)cc1 849105985 MNOWUOUDSNAWJF-UHFFFAOYSA-N 285.366 3.522 30 20 CHED N#CC1(CCOC(=O)c2csc(C=O)c2)CCCCC1 840273595 BNFDRZHALFOPAY-UHFFFAOYSA-N 291.372 3.582 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(-c2ccccc2)cc1 743806010 BZHYSPBCTRPJKZ-UHFFFAOYSA-N 278.355 3.841 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNc1cncc(Cl)n1 748251151 RWNLCMPMHXPNOB-VIFPVBQESA-N 266.776 3.744 30 20 CHED C[Si](C)(C)C#CCCNC(=O)c1sccc1C1CC1 912334125 WZLFBUOVWMZBFY-UHFFFAOYSA-N 291.492 3.626 30 20 CHED C=CCCSCCN[C@@H](C)CCc1ccsc1 595057333 CIHZWWZYDMMFML-ZDUSSCGKSA-N 269.479 3.968 30 20 CHED CC[C@H](OCCN(C)CC(C)(C)C#N)c1ccccc1 593031762 NDMOJVMRXAQKAG-INIZCTEOSA-N 274.408 3.636 30 20 CHED N#CCN(C(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1ccc(Cl)cc1 592653423 UJYVEXCCAMKZPP-SLEUVZQESA-N 288.778 3.633 30 20 CHED COc1cccc(/C=N\[C@@H]2C[C@@H](C)Oc3ccccc32)c1O 840705343 DGMNORUXGAWIMJ-QDTXKKDGSA-N 297.354 3.732 30 20 CHED C=CCCN(C)C(=O)NCCC(C)(C)c1ccccc1 682416540 BSUIDWNHVGGPOE-UHFFFAOYSA-N 274.408 3.572 30 20 CHED C[C@]1(C=NO[C@H]2CCCCO2)C[C@@H]1c1ccccc1 841634324 XMTDKAIOZLCREZ-OWCLPIDISA-N 259.349 3.709 30 20 CHED CCC/C=C/C(=O)N[C@H](CCC#N)c1ccccc1 749045209 JSPNGZOSUHDOQM-FDYAIDJWSA-N 256.349 3.504 30 20 CHED CCCCN(C(=O)[C@@H](C#N)CC)[C@H](C)c1ccc(C)o1 593433624 HPWZTVUALYIELG-ZIAGYGMSSA-N 276.380 3.828 30 20 CHED Cc1ccc(OC(=O)c2ccc(C#N)cc2)c(Cl)c1 740796156 NZNFSKIWRNKICP-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1ccc(C(F)F)cc1F 847681790 VALLMTNXYCIGJQ-MRVPVSSYSA-N 258.239 3.885 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(CC#N)cc1 592391653 VMBJJGRPBIMSJJ-BFUOFWGJSA-N 294.373 3.915 30 20 CHED COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1F)C2=O 749133085 UIVDMXCWYCDOLT-UUASQNMZSA-N 288.249 3.590 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@H]1c1sccc1C 748448853 MPYBSEHTLWYIKE-NEPJUHHUSA-N 250.363 3.669 30 20 CHED CCc1ccc([C@H](C)CC(=O)OCC2(CC#N)CC2)cc1 744279563 RMYMIPMWEDOXOB-CQSZACIVSA-N 285.387 3.980 30 20 CHED C=CCN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C)C 741401185 WHYPXNAKVZLZPG-UHFFFAOYSA-N 272.270 3.532 30 20 CHED CCCCO[C@@H](C)C(=O)OCCC1(C#N)CCCCC1 840224284 FKUMFTONVFTRAC-AWEZNQCLSA-N 281.396 3.599 30 20 CHED CCSc1cc(CN[C@@H](C)CC(C)(C)C#N)ccn1 926226410 LRCZSTSVKIIQPS-LBPRGKRZSA-N 277.437 3.612 30 20 CHED CC#CCOC(=O)c1cc(-c2ccco2)nc2ccccc12 744466952 IZQLZMZSDFWOQJ-UHFFFAOYSA-N 291.306 3.675 30 20 CHED C=C[C@@H](CC(=O)OCC[C@@H](C)C(C)=O)c1ccccc1 849748737 KILSQLBXZPCGNC-HIFRSBDPSA-N 274.360 3.505 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1Cc2ccc(F)cc21 684447393 QAJYEOFLRDZPCS-MRXNPFEDSA-N 275.367 3.670 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)OCCCCC#N 758879613 DDIHEUXUHPGOPS-BENRWUELSA-N 277.751 3.980 30 20 CHED C=CCCCCNC(=O)N1CC[C@H]1c1cccc(F)c1 681163754 NHPIERVFIZKYGD-HNNXBMFYSA-N 276.355 3.638 30 20 CHED C=CCC[C@H](NC(=S)NCCSC)c1ccccc1 752766915 UKGFUUJBPXUBJO-AWEZNQCLSA-N 294.489 3.521 30 20 CHED N#Cc1ccsc1NC(=O)CC[C@@H]1CC1(Cl)Cl 857568710 IGJPYCQIVVCYFT-MRVPVSSYSA-N 289.187 3.532 30 20 CHED C#CC[C@H](NCc1ccccc1F)c1ccccc1 756996738 RELCJVCQKLEYDU-KRWDZBQOSA-N 253.320 3.680 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(C)cc1C)c1ccccc1 757617977 RSWREXBRJJQHCU-GOSISDBHSA-N 277.367 3.798 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccnc(-c2ccco2)c1 923744657 ORKKGERTKIFSIS-UHFFFAOYSA-N 298.342 3.828 30 20 CHED CC(C)Oc1cccc(C=NNc2ccc(C(=O)O)cc2)c1 921252097 CKYWLNFNXPWANR-UHFFFAOYSA-N 298.342 3.618 30 20 CHED CC(=NNCc1ccc(Br)cc1)c1ccoc1 755890751 ZKPBKJZOGNOFKO-UHFFFAOYSA-N 293.164 3.556 30 20 CHED Fc1cccc(C=NNCc2cccc(Cl)c2)c1 756828276 ZZNMNIXNRWKZSI-UHFFFAOYSA-N 262.715 3.603 30 20 CHED CC(=NOCC1CCC1)c1nccc2ccccc12 853441158 PHFOPKMLSHTZTO-UHFFFAOYSA-N 254.333 3.776 30 20 CHED CC(C)(C)c1ccc(/C=C2\CCn3nccc3C2=O)cc1 853010125 WCOKRIIPEUUFON-WYMLVPIESA-N 280.371 3.851 30 20 CHED Cc1ccc(C2=CCN(c3ccc(C#N)nc3)CC2)cc1 750014922 DKJZMIKOYASXMQ-UHFFFAOYSA-N 275.355 3.555 30 20 CHED C#C[C@H](CC)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 754365899 CHBMUBGQPPRPPJ-OAHLLOKOSA-N 289.806 3.680 30 20 CHED CC(C)C#CC(=O)N(C)Cc1cccc(Cl)c1Cl 854232864 WYZDVPIQPFCUNX-UHFFFAOYSA-N 284.186 3.611 30 20 CHED COc1cc(C(=O)O)ccc1NN=C/C=C\c1ccccc1 756905463 APMUNPUBDZGFEN-BPNKNNACSA-N 296.326 3.505 30 20 CHED C#CCCOC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 859097865 WLCRLRYVXVUBJY-INIZCTEOSA-N 287.334 3.511 30 20 CHED C=C(Cl)CSCC(=O)N[C@H](C)Cc1ccccc1C 853783543 LOSJVHAAVROGPO-CYBMUJFWSA-N 297.851 3.528 30 20 CHED C#CCCCC(=O)Nc1ccc(OC(C)C)cc1C 757856105 PKUYJLYWJWHNDB-UHFFFAOYSA-N 259.349 3.524 30 20 CHED Cc1csc(C=NNc2ccccc2C(F)(F)F)n1 755466996 LBOMXKUTNVXLGM-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1cc(F)cc(F)c1 767098003 FJVKHWOPCNTLHF-LLVKDONJSA-N 266.287 3.763 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCO2 766349915 KZYNCKCHWCSPKM-KGLIPLIRSA-N 292.382 3.905 30 20 CHED N#CCCCCNC(=O)/C=C\c1ccccc1C(F)(F)F 865167622 RWEVUMAWGMQVBV-HJWRWDBZSA-N 296.292 3.529 30 20 CHED CC(=NOCC(F)(F)F)c1cnc2ccsc2c1 764845072 PZBXHULTDIXFIK-UHFFFAOYSA-N 274.267 3.599 30 20 CHED C=CCCC(=O)OCc1ccn(-c2ccc(Cl)cc2)n1 767526029 JIBIPODSFXPPOE-UHFFFAOYSA-N 290.750 3.535 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2cc([N+](=O)[O-])ccc21 864000302 PJIKVSNJMXMYMN-GFCCVEGCSA-N 293.326 3.590 30 20 CHED CCn1nc(/C=C/C(=O)c2cccc(O)c2)c2ccccc21 769743728 ZWNGCHJQLGOAGA-ZHACJKMWSA-N 292.338 3.658 30 20 CHED CCCCCCCNC(=O)C[C@H]1CCO[C@H](CC)C1 862357777 GTZPTGORDWGZBN-LSDHHAIUSA-N 269.429 3.668 30 20 CHED N#Cc1cccc([C@H]2CN(CCC3CCCC3)CCO2)c1 761761073 BXHRRYJNEBNDPH-GOSISDBHSA-N 284.403 3.512 30 20 CHED O=C1CCCN1N=Cc1sc2ccccc2c1Cl 769588310 CRZUXUXKYNTMPC-UHFFFAOYSA-N 278.764 3.511 30 20 CHED C=CCCCCCCNC(=O)N1CC2CCC1CC2 1117313877 LWYBRWNIDVWCIB-UHFFFAOYSA-N 264.413 3.707 30 20 CHED CC(=O)[C@@](C#N)(CCSCc1ccco1)c1ccccc1 871631156 IRFOIEZBZAFAIU-KRWDZBQOSA-N 299.395 3.953 30 20 CHED CCNc1ccc(C#N)cc1NCCOc1ccc(C)cc1 776850927 ZMLWVQARHHUDRA-UHFFFAOYSA-N 295.386 3.789 30 20 CHED Brc1cncc(C=NOC2CCCCC2)c1 777456948 JDHIFSOFNYTWCA-UHFFFAOYSA-N 283.169 3.527 30 20 CHED Cc1ccc(F)cc1C=NNc1ncccc1Cl 777882728 HGXVZNOTSOCKLW-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC1(C)C[C@@H](/N=C\c2cc(Cl)ccc2O)C(C)(C)O1 777874040 YGOVZVRBGUZDIM-ZLYHGVDXSA-N 281.783 3.811 30 20 CHED OC1(C(F)(F)F)CCC(=NOC2CCCCC2)CC1 777459350 ODNQZBHCCLXOJH-UHFFFAOYSA-N 279.302 3.559 30 20 CHED CN(CCC#N)c1ccc(C=NOC2CCCCC2)cc1 777458193 GBIPCWFSCFTXIO-UHFFFAOYSA-N 285.391 3.720 30 20 CHED C(=NOC1CCCCC1)c1ccc(Oc2cnccn2)cc1 777456699 FMYAFBTVXUBGJA-UHFFFAOYSA-N 297.358 3.952 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)OCc1ccccc1 779627009 LUKIGYKPVQBOHU-CQSZACIVSA-N 276.380 3.504 30 20 CHED C=CCN(Cc1cn(C)nc1-c1cccs1)C(C)C 775656623 LFTBRHQVZZDBAW-UHFFFAOYSA-N 275.421 3.545 30 20 CHED CC1(C)Oc2ccc(NCc3ccc(C#N)cc3F)cc2O1 772930707 ZMKYPKAYELRCQP-UHFFFAOYSA-N 298.317 3.817 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2occ(C)c2c1 776085644 NJULWCROLARZAW-UHFFFAOYSA-N 264.712 3.615 30 20 CHED CC(=NNc1ccc(Cl)cc1)[C@H]1CCCOC1 779756713 VLVKYULHFRLVDH-NSHDSACASA-N 252.745 3.554 30 20 CHED CC(C)(C)ON=C1CCCC[C@@H]1N1CCCCC1 1116404782 NPAHOIPQAHUKHC-AWEZNQCLSA-N 252.402 3.586 30 20 CHED C#CCCCCC(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C 773771629 IYPVXCUGZJZOCQ-LLVKDONJSA-N 288.318 3.615 30 20 CHED C=CCCCCNC(=O)/C=C/Sc1ccccc1 770081002 CFXVJWOKYFTNLT-ACCUITESSA-N 261.390 3.765 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2cccnc21 886626801 LDEYJKJFPVAGHD-QZTJIDSGSA-N 289.382 3.608 30 20 CHED COc1ccc(/C=C\C(=O)c2sccc2O)cc1C 773151186 VYXRMJUGPNPVGK-HYXAFXHYSA-N 274.341 3.667 30 20 CHED C=CCC[C@H](C(=O)Nc1cccc(F)n1)c1ccccc1 777790949 JLZHSTLVYNVPHX-AWEZNQCLSA-N 284.334 3.909 30 20 CHED CCC1(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)CCC1 887703332 NOYDAQZESDAXLK-UHFFFAOYSA-N 296.414 3.845 30 20 CHED Cc1ccccc1C1CC(=NNc2ncncc2Cl)C1 780280531 XUEGKIRMPVLQJC-UHFFFAOYSA-N 286.766 3.784 30 20 CHED CC1(C(=O)OCc2ccccc2C#N)CCCCC1 781269476 VRECNESMQOVEMF-UHFFFAOYSA-N 257.333 3.572 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C[C@@H]1CCCC[C@H]1C 783836221 XDUHXKGQHOYNFM-NEPJUHHUSA-N 291.351 3.827 30 20 CHED CCC(C[C@H](C)CC)=NN[C@H]1CCOC(C)(C)C1 780253377 SZHPPBXERVJVSG-OCCSQVGLSA-N 254.418 3.736 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)cc1 1129494031 ZBGBPSZAHLWWCB-JENIJYKNSA-N 298.430 3.954 30 20 CHED C=Cc1ccccc1NC(=O)N1CCCC[C@H]1C=C 880203930 HKDNVWMDXNTQBA-CQSZACIVSA-N 256.349 3.902 30 20 CHED CC(C)C[C@H](CNc1ccc(Cl)cc1C#N)N(C)C 303184574 ITKHQUZQCDJHSQ-CQSZACIVSA-N 279.815 3.600 30 20 CHED CCc1cccnc1[C@H](C)NCc1cc(C#N)ccc1F 780728850 LOCSSOHBDINVQM-LBPRGKRZSA-N 283.350 3.506 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1ccc(C2CCC2)cc1 1123233064 FMIASFSETFYXGV-MRXNPFEDSA-N 293.370 3.661 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NCc1ccc(C#N)cn1 783299895 GTGJPMDOETUXBZ-HNNXBMFYSA-N 293.414 3.799 30 20 CHED FC(F)(F)[C@H]1CCCC(=NNc2cncc(Cl)n2)C1 783514990 XKDUTRSSBJITMO-ZETCQYMHSA-N 292.692 3.650 30 20 CHED N#CC1(CCCC[S@@](=O)CCC(F)(F)F)CCC1 899288414 XZAMXFGUHASCHU-GOSISDBHSA-N 281.343 3.552 30 20 CHED C=CC(C)(C)CC(=O)Oc1cccc(C(C)=O)c1F 893307435 CERLLNCWVLZNAD-UHFFFAOYSA-N 264.296 3.536 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cc3c(nc2O)CCCC3)no1 897224940 GNXHKGMBTDIUIT-KRWDZBQOSA-N 299.374 3.570 30 20 CHED CC(C)(C#N)CCCOC(=O)COc1cccc(Cl)c1 781866962 ZIIFHYFKMAAXGB-UHFFFAOYSA-N 295.766 3.592 30 20 CHED C#CCC1(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)CCCCC1 788223057 HPGWSTLJBUCQDA-ROUUACIJSA-N 295.426 3.708 30 20 CHED CCCc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 788126374 IKTMXUVJUXXPAB-UHFFFAOYSA-N 282.318 3.902 30 20 CHED CCCCC(CC)=NNc1ccc2c(=O)[nH]ccc2c1 789070774 MKKFNDPVDOYOIT-UHFFFAOYSA-N 271.364 3.896 30 20 CHED CCc1onc(C)c1/C=C1\CCc2ccc(F)cc2C1=O 899365932 FTATUCRAMUZZPV-XYOKQWHBSA-N 285.318 3.897 30 20 CHED C=C1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 890437617 JSOUGWQOZQFGLV-UHFFFAOYSA-N 294.738 3.933 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC1CC1)C(C)C 894027594 KIEDSZLUQPWYDT-ZDUSSCGKSA-N 252.402 3.561 30 20 CHED COc1ccccc1CON=Cc1c[nH]c2ccccc12 799116975 FYLOJNSDGINWBU-UHFFFAOYSA-N 280.327 3.727 30 20 CHED C=C1CC(c2noc(CCCc3ccc(O)c(F)c3)n2)C1 896876899 DAXPPGJJHRIIMM-UHFFFAOYSA-N 288.322 3.523 30 20 CHED Cc1cc(NCc2cccc(C(C)C)c2)cc(C#N)n1 553540255 QMKBSSSNFWKQRZ-UHFFFAOYSA-N 265.360 3.997 30 20 CHED CC(C)C[C@@H](C)C=NNc1nnc(-c2ccccn2)s1 799113019 FCYMXINZDSXOOH-LLVKDONJSA-N 289.408 3.680 30 20 CHED C/C(=C\C(=O)NCC1(CC#N)CC1)c1cccc(Cl)c1 797565428 OSMMPRBPEKTLOV-FMIVXFBMSA-N 288.778 3.553 30 20 CHED CCC(CC)(CNC(=O)Nc1ccc(C#N)cc1)SC 743066067 YKCUYVCYFDVTHS-UHFFFAOYSA-N 291.420 3.602 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCC[C@H]1CC 793829169 GIVNIIUJTWQAFS-CHWSQXEVSA-N 289.341 3.617 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCC[C@H](F)C1 564906467 XGYSCZPZRCKBIC-VHSXEESVSA-N 287.260 3.665 30 20 CHED CCCCC[C@H](C)NC(=O)/C=C\c1ccccc1C#N 799599324 AHWXIYQPYYEKKB-NYHXXUGCSA-N 270.376 3.656 30 20 CHED Cc1ccc(C(=O)Nc2nc(C3CCC3)cs2)cc1C#N 799376804 VTZAGURNXZTEEI-UHFFFAOYSA-N 297.383 3.843 30 20 CHED Cc1cccc2c1CCN(c1ccc(C#N)cc1F)C2 729183914 MDLGGBZQBYXNEC-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCCN1Cc1ccccc1 695858744 JGFLDQZQQWUJKT-WMZOPIPTSA-N 299.462 3.569 30 20 CHED C#CCCCCN[C@@H](C)c1ccccc1OC(F)F 90397785 PXPRWPBPCVFYMG-LBPRGKRZSA-N 267.319 3.742 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)C1CCC(C)(C)CC1 94820091 KZMSPEKDKICFCT-UHFFFAOYSA-N 270.376 3.599 30 20 CHED CCN(Cc1ccccc1F)c1nc(C#N)c(Cl)s1 1162302744 BFQHKEVSBZQSIZ-UHFFFAOYSA-N 295.770 3.834 30 20 CHED Cc1cccc(F)c1NC(=O)CC#Cc1ccccc1 1324926040 ANQQJSPYWXQGDL-UHFFFAOYSA-N 267.303 3.514 30 20 CHED CCCCCC[C@@H]1CCCC1=NNc1ccn(C)n1 1320814540 OCGBJBBZBILUFW-CYBMUJFWSA-N 262.401 3.959 30 20 CHED CC(C)[C@H]1CCC[C@H](NCc2cccc(OCC#N)c2)C1 1324975424 ITNYDZQFNZVDEN-IRXDYDNUSA-N 286.419 3.893 30 20 CHED C=CC[C@H]1CCCN([C@@H](C(=O)O)c2ccccc2Cl)C1 1327038471 JRNGYEMGSUFLEF-SWLSCSKDSA-N 293.794 3.754 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](C)c2cccc(O)c21 1338951384 XNLZSQXFWONARJ-GFCCVEGCSA-N 259.349 3.589 30 20 CHED N#Cc1cncc(N[C@H](C2CCCCC2)C2CCC2)n1 1186815274 UQAXJMNEPUAGHY-MRXNPFEDSA-N 270.380 3.509 30 20 CHED C[C@H](O)CCc1ccc(OCc2ccc(C#N)s2)cc1 1331966986 ADSCVFZUZVKTFU-LBPRGKRZSA-N 287.384 3.512 30 20 CHED N#Cc1cnc(Oc2cccc3c2OCCC3)c(Cl)c1 1186821170 DUCOXBFWUWLFDG-UHFFFAOYSA-N 286.718 3.724 30 20 CHED N#CC1(CSc2nc3ccc(F)cc3s2)CC1 1334308082 IUMGNADLHCAZOS-UHFFFAOYSA-N 264.350 3.831 30 20 CHED C[C@H]1CC/C(=C\c2nnc(COc3ccccc3C#N)o2)C1 1349921568 FTBCJPSPNOLJKG-OQZOHAQUSA-N 295.342 3.724 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC 1344616469 DJGOXTWIVDHAKO-CQSZACIVSA-N 299.374 3.529 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(OCC#N)c1 1346383086 LTTBBADWBBMYLG-HNNXBMFYSA-N 299.374 3.551 30 20 CHED Cc1c(C(=O)O[C@@H](CC#N)c2ccco2)ccn1C(C)C 1346706445 KDZBETOPYRPJQH-HNNXBMFYSA-N 286.331 3.782 30 20 CHED N#CC[C@@H](OC(=O)c1cc2c(s1)CCC2)c1ccco1 1518002649 WIWROJLLRBLHQQ-GFCCVEGCSA-N 287.340 3.642 30 20 CHED C=C(C)Cn1c([C@@H](C)SC)nnc1N1CCCCCC1 1515741490 WLPBCMNSBMRWRO-CYBMUJFWSA-N 294.468 3.659 30 20 CHED Cc1ccc2cc(C(=O)/C=C/c3ccc(C(=O)O)[nH]3)oc2c1 1607834223 TVAILYNTKOKKIP-FNORWQNLSA-N 295.294 3.664 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc3ccncc3c2)c1 1535893185 RHTCEWJNPAXTLS-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCN(Cc1ccc(C(=O)O)cc1)Cc1cccs1 1602894048 QXLGBJSEMAJQQB-UHFFFAOYSA-N 287.384 3.635 30 20 CHED C[C@@H](C(=O)N(C)c1ccc(C#N)c(Cl)c1)c1ccccc1 1534651636 QCGIQCZWHRIEQF-GFCCVEGCSA-N 298.773 3.978 30 20 CHED C=C(CC)C(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 1548677593 GSMIRCWSTXJIMT-UKRRQHHQSA-N 255.361 3.634 30 20 CHED Cc1cc(CN(C)CCCc2ccccc2)ccc1C#N 1474355739 RKUZOKANMBXSPI-UHFFFAOYSA-N 278.399 3.931 30 20 CHED CC1(C)CCCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1543407811 MCWXZXNFBIISOZ-LBPRGKRZSA-N 296.374 3.589 30 20 CHED C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1cc2ccccc2o1 1632510701 KLSVIZQWSVMYAE-SCLBCKFNSA-N 296.370 3.689 30 20 CHED N#Cc1cnc(Sc2nc3ccccc3s2)c(F)c1 1639178622 ZCLLJVOUYAWZGR-UHFFFAOYSA-N 287.344 3.853 30 20 CHED COc1cc(CSc2ccc(Cl)cc2C#N)sn1 1643746162 AYNSSQJDLKEYFC-UHFFFAOYSA-N 296.804 3.969 30 20 CHED C[C@H]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1657862732 WGLRVLZFNOQKQK-QWRGUYRKSA-N 291.782 3.769 30 20 CHED C=C(CNC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1667902664 WOMOJKZELPAJHS-SZMVWBNQSA-N 298.430 3.825 30 20 CHED CC(C)CC1(CNC(=O)C2(C#N)CC(C)C2)CCCC1 124212299 LCVQRYRECSFDFL-UHFFFAOYSA-N 276.424 3.649 30 20 CHED CCC(CC)N(C(=O)Nc1cc(F)cc(C#N)c1)C1CC1 1674212982 DEWIUJUFKGMWPB-UHFFFAOYSA-N 289.354 3.882 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@H](C)C[C@H](C)CC)CC1 1776159704 XLALSKWTFRYIMQ-HUUCEWRRSA-N 281.440 3.802 30 20 CHED C=CC[C@]1(C(=O)O)CCN(C[C@@H](CC)CCCC)C1 1776159319 IFRJCYXQNNNBPP-HOCLYGCPSA-N 267.413 3.556 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC/C=C/c2ccccc2)C1 1776156558 VJWNBSVAZLKTSW-SSGOSMAHSA-N 299.414 3.833 30 20 CHED C=CC[C@@H](CC(C)C)C(=O)Nc1cccc(F)c1C(=O)O 1776151954 LHRZKMQEQMOFFB-NSHDSACASA-N 293.338 3.701 30 20 CHED O=C(O)c1ccc(NN=Cc2cccc(C(F)F)c2)cc1 1776014653 YDVXGZRATIVHBQ-UHFFFAOYSA-N 290.269 3.768 30 20 CHED C=CCN(CC=C)C(=S)Nc1ccc(C)cc1C 13824154 XMMHILJGQLEAQX-UHFFFAOYSA-N 260.406 3.674 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1 15349386 CRGSUAQLKYRWDA-MDWZMJQESA-N 265.356 3.957 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccccc1)C1CCCC1 162781199 WRWBMMLQVKDIBG-INIZCTEOSA-N 272.392 3.745 30 20 CHED CC(C)[C@H](C)N(C)Cc1ccc(C#N)cc1Cl 162868833 OBQLTYCDRIKZFK-NSHDSACASA-N 250.773 3.688 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C)c2cccnc2)cc1 158506718 OJLFZVDMAJXCME-HUUCEWRRSA-N 280.371 3.505 30 20 CHED N#Cc1cccc(Cl)c1N[C@H]1CCO[C@@H](C2CC2)C1 160349664 SLPDRGYIQLFKCY-GXTWGEPZSA-N 276.767 3.581 30 20 CHED C=CCCC(=O)N(Cc1ccc(OC)cc1)c1ccncc1 151204178 QHGMDZHRXVXQFB-UHFFFAOYSA-N 296.370 3.590 30 20 CHED Cc1cccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])c1 157216164 DWCMXEPEXRKWAE-VMPITWQZSA-N 283.283 3.505 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc1C 209659383 LAASPAVWTHIUHY-WZUFQYTHSA-N 295.382 3.966 30 20 CHED C[C@@H](Nc1nccc(C#N)c1Cl)c1ccc(C#N)cc1 235285166 VYFGSCGJWYHQAW-SNVBAGLBSA-N 282.734 3.651 30 20 CHED C[C@@]1(CNc2nc3ccccc3cc2C#N)CCCS1 127871452 AVMAPIAMVDRLGH-INIZCTEOSA-N 283.400 3.804 30 20 CHED N#Cc1c(F)cccc1N[C@H]1Cc2ccc(Cl)cc2C1 158849670 GOLHAGCVIVJMNO-ZDUSSCGKSA-N 286.737 3.930 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(C#N)cc2)o1 37505754 NKDKBCRESUVZGW-WBMJQRKESA-N 266.344 3.564 30 20 CHED COc1ccccc1SCc1cc(C#N)ccc1F 41030570 QDDHKQYMOSKONN-UHFFFAOYSA-N 273.332 3.998 30 20 CHED N#CCN(C(=O)c1cccc2ccsc12)C1CCCC1 274325633 HGFPESJYAAHEFI-UHFFFAOYSA-N 284.384 3.810 30 20 CHED C[C@H](CC(=O)NCc1cccc(C#N)c1)CC(C)(C)C 48346693 ZGTKTFSMFSNRPD-CYBMUJFWSA-N 272.392 3.637 30 20 CHED N#Cc1c(Cl)cccc1NCc1noc2c1CCCC2 295749920 ZTRPOYIOFIJRLT-UHFFFAOYSA-N 287.750 3.691 30 20 CHED CC[C@H](CC#N)NCc1nc(-c2ccccc2)cs1 61681043 ZCZISQWHAQUQTN-CYBMUJFWSA-N 271.389 3.592 30 20 CHED N#Cc1ccccc1NC(=O)c1coc2ccccc12 70379566 FGADWFXGLDVCTE-UHFFFAOYSA-N 262.268 3.557 30 20 CHED CC[C@@H](CNCc1ccc(C#N)cc1F)CC(F)(F)F 402494756 RCBWYAALTLBJSZ-SNVBAGLBSA-N 288.288 3.766 30 20 CHED Cc1nc(C#N)cc(Oc2cccc(C(C)C)c2)n1 308277524 IHGSDSIPOHUSIA-UHFFFAOYSA-N 253.305 3.572 30 20 CHED C=C(C)CCN[C@@H]1CCC[C@@H]1OCc1ccccc1 510632266 VTFRRHRIRFJIPV-SJORKVTESA-N 259.393 3.680 30 20 CHED N#CCCC1CCN(CCCCC(F)(F)F)CC1 518526116 HDBYMLKFBIUVIJ-UHFFFAOYSA-N 262.319 3.735 30 20 CHED Cc1ccnc(N2CCC[C@@H]2C2CCCCC2)c1C#N 541276240 GUNCBRMZPKQETQ-MRXNPFEDSA-N 269.392 3.811 30 20 CHED Cc1ccc(F)cc1OCc1ccc(CC#N)cc1 399118803 GZRVNZZKIHQVBG-UHFFFAOYSA-N 255.292 3.779 30 20 CHED CC(C)C[C@H]1CCCN1Cc1ccc(CC#N)cc1 399269249 SYFPALAIQJOSJA-QGZVFWFLSA-N 256.393 3.763 30 20 CHED N#Cc1ccsc1NC(=O)/C=C/c1ccc(Cl)cc1 7796823 OXZCLHUVBWFZRL-ZZXKWVIFSA-N 288.759 3.925 30 20 CHED CCCCCCCCOCC(=O)Nc1cc(F)ccc1N 59373246 MDYZQMOQPMNOJC-UHFFFAOYSA-N 296.386 3.724 30 20 CHED CCCN(CC#N)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 107565220 RFLKVKHZJVFUDU-ZWKOTPCHSA-N 292.382 3.705 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)Cc1ccc(C#N)cc1 172990203 ZHQRXEFUKWYZRQ-YOEHRIQHSA-N 284.403 3.528 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)C2CCCCCC2)C1 116803523 MOBKVMJYQAUCNW-BBRMVZONSA-N 262.397 3.545 30 20 CHED N#CCc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1 343537327 MJJDCDOADFLMDV-DLBZAZTESA-N 286.444 3.613 30 20 CHED C[C@H](Nc1ccc2cc(C#N)ccc2n1)c1cccc(O)c1 179904498 JQOMWTQGCVNKQI-LBPRGKRZSA-N 289.338 3.985 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CC[C@H]3CCC[C@H]3C2)n1 462909863 FWIUMEGQMGIKCE-QLFBSQMISA-N 269.392 3.951 30 20 CHED CC(C)[C@@H](C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 113178739 VPNSPYBJMNBSJP-FZMZJTMJSA-N 278.783 3.703 30 20 CHED C=C[C@H](CC(=O)Nc1cc(F)ccc1O)c1ccccc1 179646897 RJLJFBFXHCBLMQ-GFCCVEGCSA-N 285.318 3.830 30 20 CHED N#Cc1cccc(CNc2ccccc2OCC(F)F)c1 177717253 GMBIXDCMRUEDJM-UHFFFAOYSA-N 288.297 3.814 30 20 CHED Cc1ccc(C#N)c(N2CCCC3(CCCCC3)C2)n1 346853872 RYUFLRJXXGFVEJ-UHFFFAOYSA-N 269.392 3.812 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1Nc1ncc(C#N)cc1Cl 302348951 ASSDFXAEWZQYPD-UONOGXRCSA-N 293.798 3.612 30 20 CHED N#Cc1nc(NCCc2ccccc2Cl)ccc1Cl 301166535 HWMQGWIIONRTJW-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CCCCCCCCC(=O)NCc1ccc(CN)cc1F 115854418 XEDFSHMVIRKTRX-UHFFFAOYSA-N 294.414 3.651 30 20 CHED C=CCCCSc1nnc(Cc2cccc(F)c2)o1 117553015 CHMJHGWSGLKFCE-UHFFFAOYSA-N 278.352 3.858 30 20 CHED N#C[C@@H](NC(=O)CC1=CCCCC1)c1ccc(Cl)cc1 113176867 LXXJBPRMLZWMSZ-OAHLLOKOSA-N 288.778 3.911 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 119878707 FXABEQHMZYUXCV-IAGOWNOFSA-N 283.415 3.893 30 20 CHED N#CCOc1ccc(C(=O)/C=C/c2cccnc2Cl)cc1 171350452 RKGAMTPTTGMNEH-VMPITWQZSA-N 298.729 3.533 30 20 CHED C=CCCCC(=O)N(C)[C@H](C)c1sc(CC)nc1C 175763055 XWRZRHQDBZFPFX-GFCCVEGCSA-N 280.437 3.890 30 20 CHED C=C(C)CN(CC)c1ccc2cc(C#N)ccc2n1 301983894 RXRIMFDDKDRUMM-UHFFFAOYSA-N 251.333 3.509 30 20 CHED COC1(CNc2nc3c(cc2C#N)CCCC3)CCCCC1 302488870 ZLTSRKYSEWCPJD-UHFFFAOYSA-N 299.418 3.593 30 20 CHED C[C@H](CNc1nc2ccccn2c1C#N)Cc1cccs1 302161239 JUMZDQSXBJZMFM-LBPRGKRZSA-N 296.399 3.558 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(O)c1)CC2 125426345 XKVIUNYFEQDCOH-GDNBJRDFSA-N 264.324 3.913 30 20 CHED COc1ccc(C#N)cc1NCc1cc(C)ccc1F 354855940 LCYVUDXOUMCTRW-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@@H](CC#N)N(C)CCCc1ccccc1Cl 182003242 BXGDWYLHOJUUOC-LBPRGKRZSA-N 250.773 3.507 30 20 CHED C=C[C@@H](CC(=O)OCCSCC)c1ccccc1 122098721 OZKGGOFIUNMJOU-ZDUSSCGKSA-N 264.390 3.643 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 426141489 SHXTXZRHVWHEKE-PWSUYJOCSA-N 291.782 3.912 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)CC1CCCC1 122500821 CRWRSDWPWWXESK-UHFFFAOYSA-N 273.380 3.634 30 20 CHED CC#CCCCC(=O)N[C@@H](CCC)Cc1ccccc1 185449569 JIJZBJXIXBGJGZ-KRWDZBQOSA-N 271.404 3.708 30 20 CHED CC#CCCCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 185243989 JWUJEJLCXKCCRW-OAHLLOKOSA-N 282.387 3.661 30 20 CHED C=CCCC(=O)NCCCO[C@@H]1CCCc2ccccc21 70874303 ATFQHLSORMAZAL-QGZVFWFLSA-N 287.403 3.553 30 20 CHED C=C(C)CN(C)C(=O)C1c2ccccc2Oc2ccccc21 180390522 CGXANQJYMNEPRQ-UHFFFAOYSA-N 293.366 3.959 30 20 CHED N#Cc1ccccc1Oc1ccccc1C(=O)N1CCCC1 181124680 ZNRUSYVAEYPWOV-UHFFFAOYSA-N 292.338 3.587 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](C)[C@H](C)CC 503057264 SZLZLFYKAJBXCY-HZPDHXFCSA-N 273.420 3.926 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc(Cl)c(F)c1 152666669 XDUMQSQDCGPCSO-UHFFFAOYSA-N 296.773 3.881 30 20 CHED Cc1cccc(NC(=O)N(C)Cc2cccc(C#N)c2)c1 31661401 KEGMMFDNXMLCAT-UHFFFAOYSA-N 279.343 3.531 30 20 CHED C[C@@H]1CCC[C@@](CN[C@H](C)c2cccc(C#N)c2)(N(C)C)C1 314917604 MQZULGGJAKFLCX-GPMSIDNRSA-N 299.462 3.719 30 20 CHED C[C@H](NC(=O)CC1CCCCC1)c1cccc(C#N)c1 75275542 PKSSVSFTPYJLKU-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED C=CCC[C@H](C(=O)NCCCSC)c1ccccc1 188120731 BENINMQCGJDCIN-HNNXBMFYSA-N 277.433 3.606 30 20 CHED COc1ccccc1[C@@H]1CCN(c2ccc(F)cc2C#N)C1 78295877 ZYGVLCFSFPBNTL-CYBMUJFWSA-N 296.345 3.700 30 20 CHED CCC[C@H]1CN(CCCCC#N)CCN1Cc1ccccc1 180280363 BFLVKSJKMSNDJK-IBGZPJMESA-N 299.462 3.667 30 20 CHED O=C1/C(=C/c2cccc3nccn23)CCc2cc(F)ccc21 180314953 LIBMAIZZZRAHHW-ACCUITESSA-N 292.313 3.686 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1OCC(C)C 79654935 FPNIUUJDTSDDMP-UHFFFAOYSA-N 291.391 3.643 30 20 CHED Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c2ccccc12 414204580 BNQJMKLYKQEFKG-ZBFHGGJFSA-N 264.372 3.930 30 20 CHED N#Cc1ccc(CNC2CCC(C(F)F)CC2)cc1F 449735877 KCLXUDKXCKKQFM-UHFFFAOYSA-N 282.309 3.611 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1CC 410832633 DNEFSNCQSGVCFT-HYVNUMGLSA-N 284.403 3.503 30 20 CHED C=CC[C@H](C(=O)Nc1cc(C)cnc1OC)c1ccccc1 188391847 XVWODEBMDWHUSS-HNNXBMFYSA-N 296.370 3.697 30 20 CHED C=CCCC(=O)NC(C)(C)c1cccc(Cl)c1 78181111 XCCIYZRQZMNNCF-UHFFFAOYSA-N 251.757 3.658 30 20 CHED N#CCCCCN1CC2(CCOCC2)[C@@H]1c1ccccc1 411998412 KXPCIOQAUHMXQA-KRWDZBQOSA-N 284.403 3.534 30 20 CHED C#C[C@@H](C)NC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 186103198 HWTVIFVKBNTPTI-CHWSQXEVSA-N 284.359 3.547 30 20 CHED CC1(C)[C@H](c2ccccc2)C[C@H]1NCCCCC#N 184557200 WSIKUVGYZSRRON-JKSUJKDBSA-N 256.393 3.852 30 20 CHED O/C(=N/[C@@H]1CCCC(F)(F)C1)c1ccc2nsnc2c1 329436508 JIFRASCASBMKLG-SECBINFHSA-N 297.330 3.574 30 20 CHED C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(C#N)c(F)c1 414280803 DVHBANIRRCROGV-PSOPSSQASA-N 264.319 3.629 30 20 CHED CC[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)[C@@H]1CC1(C)C 416087196 XODGVZMBHCFRMA-JKSUJKDBSA-N 296.414 3.531 30 20 CHED CC(C)(C)Oc1cccc(CSc2cc(C#N)ccn2)n1 507351475 ZMQHZHLBODSTOY-UHFFFAOYSA-N 299.399 3.818 30 20 CHED N#CC1(CCN2CCO[C@H](c3ccco3)C2)CCCCC1 411319008 ABNWIVWJJKOCAU-INIZCTEOSA-N 288.391 3.517 30 20 CHED C=C(C)COCCNCc1cc(C(F)(F)F)ccc1F 134507373 GSHCGIPQVMPQTB-UHFFFAOYSA-N 291.288 3.527 30 20 CHED C=C(C)CNC(=O)C1(c2cccc(C)c2)CCCCC1 428113591 WYSLLVPYZOUHAH-UHFFFAOYSA-N 271.404 3.889 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(OC(F)F)cc1 424545710 PMDVHQDSBNMMPG-UHFFFAOYSA-N 297.345 3.849 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 612237676 AVUJYDMXOYSIDE-AWEZNQCLSA-N 297.185 3.759 30 20 CHED C#CCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 192055050 ZZYDYZSRNWRCMZ-UHFFFAOYSA-N 284.384 3.861 30 20 CHED O/C(Cn1ccc(-c2ccccn2)n1)=N/C1CCCCCC1 329212488 ZYXZHSQYONGIJB-UHFFFAOYSA-N 298.390 3.624 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](CCCC)COC)c1ccccc1 135222960 OXCUFSCLBMBEGM-RDJZCZTQSA-N 289.419 3.668 30 20 CHED C#Cc1cccc(NC(=O)N(CC)[C@H](C)C(C)C)c1 49414391 RYUXBFPTAXOJEI-CYBMUJFWSA-N 258.365 3.566 30 20 CHED N#Cc1ccc(NCCC2CC2)cc1C(F)(F)F 88457693 JIERKCWQOVMJDM-UHFFFAOYSA-N 254.255 3.789 30 20 CHED C=CCOc1cccc(-c2nc3ccccc3n2C)c1 513857359 KNFDOSNKYHZYSW-UHFFFAOYSA-N 264.328 3.805 30 20 CHED COC(C)(C)CCSCc1cccc(F)c1C#N 427700639 CIZCPKJFIRZQIU-UHFFFAOYSA-N 267.369 3.746 30 20 CHED CN1CCCC[C@H]1CC/C(O)=N/CC1CCC(C#N)CC1 329361308 YJRJBDFOSAXHIB-GPANFISMSA-N 291.439 3.537 30 20 CHED N#CCC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 193039340 SCBYFEQLXFJBGK-XIRDDKMYSA-N 267.376 3.703 30 20 CHED C[C@@H]1OCC[C@@]1(C)/N=C(/O)CCc1cc2ccccc2o1 329657254 NCZCNVVCMFLFQP-YVEFUNNKSA-N 287.359 3.889 30 20 CHED C=C(C)COC(=O)c1csc(-c2ccccc2)n1 194484528 CDBOFOXLWKIHTA-UHFFFAOYSA-N 259.330 3.543 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cc(C#N)n(C)c2)o1 191434161 AZNYIPZYUXGOKH-DYVFJYSZSA-N 297.402 3.771 30 20 CHED Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(Cl)c1 191689010 RYWFFWRGYDORND-BLLLJJGKSA-N 290.794 3.851 30 20 CHED N#CC1(C(=O)Oc2ccc(Cl)cc2F)CCCCC1 194321687 IWLXDXJKXRNIJQ-UHFFFAOYSA-N 281.714 3.859 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccc(SC)cc1 424831609 JRUNROKHWCCVTA-UHFFFAOYSA-N 277.433 3.670 30 20 CHED C=CCC(CC=C)c1nc([C@@H](C)c2nccs2)no1 424357860 YIXPXMODPOSNFO-SNVBAGLBSA-N 275.377 3.914 30 20 CHED C=C(C)C(C)(C)C(=O)N(CC)CCc1cccs1 424581649 ZFLVRPMHRGAQOA-UHFFFAOYSA-N 265.422 3.741 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@H](C)C2CC2)c1 193709695 LHLBNSACFIZHQU-GFCCVEGCSA-N 274.364 3.514 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)[C@H]1CCCC[C@H]1C 334573863 WPRXHFYXPHNWAX-ABAIWWIYSA-N 274.364 3.501 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccccc1C(F)(F)F 424604393 GZGHUHLKZWCTIP-UHFFFAOYSA-N 299.336 3.966 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)N(C)Cc1cccc(C#N)c1 194054051 DBXKFCINMBSPBX-PBHICJAKSA-N 299.418 3.526 30 20 CHED CCc1cc(OC)ccc1CN(CCC#N)Cc1ccco1 337558390 SUEOCCGKORAGCY-UHFFFAOYSA-N 298.386 3.766 30 20 CHED Cc1cc(Cl)cnc1NC(=O)[C@@H](C)c1cccc(C#N)c1 336475162 LYFIMYKWMJIRPL-NSHDSACASA-N 299.761 3.657 30 20 CHED C[C@@H]1CCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 235241540 CUHLBUMLZAZFMC-RKDXNWHRSA-N 269.801 3.906 30 20 CHED N#Cc1ccnc(/C=C/c2cnc(C(F)(F)F)s2)c1 335963851 QRKHXSJMIGZHRH-OWOJBTEDSA-N 281.262 3.599 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@H](C#N)C2CCCCC2)c1 330577917 NVAJGSFDZOMIGN-RHSMWYFYSA-N 284.403 3.687 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 511394998 FKYCETJPMDYRSO-ARFHVFGLSA-N 261.409 3.772 30 20 CHED CCc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 435036380 KVCGVIFJWFIUFO-UHFFFAOYSA-N 290.366 3.791 30 20 CHED Cc1ccoc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 93872384 XVLVAWRTXBRDPG-DLBZAZTESA-N 280.371 3.860 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2ccc(Cl)cc2C1 90445265 HTDUJTGJBTZAAV-UHFFFAOYSA-N 289.806 3.993 30 20 CHED C[C@H]1CN(CC(C)(C)CCC#N)C[C@H](c2ccsc2)O1 93769165 RXSYHZJBUSTCGH-DZGCQCFKSA-N 292.448 3.840 30 20 CHED C=CCCSCc1nc(C(F)(F)F)cs1 337853176 SYNIKMDKFUSMJN-UHFFFAOYSA-N 253.314 3.971 30 20 CHED Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C#N)c(F)c1)C2 334234917 AYQIAGKAWISCJK-UHFFFAOYSA-N 295.317 3.554 30 20 CHED CC(C)(C)CN(CCC#N)CC1=Cc2ccccc2OC1 93101196 GKXZHLQFNZIACB-UHFFFAOYSA-N 284.403 3.724 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C 529234723 VTSVZVUDUUHQKV-MJBXVCDLSA-N 264.413 3.505 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)CC1CCCCC1 437485302 YBDAGHWGICUASW-UAGQMJEPSA-N 293.451 3.690 30 20 CHED N#CCCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 342837313 WSBPIBWRHRIZFR-UHFFFAOYSA-N 274.107 3.617 30 20 CHED CN(Cc1ccc(C#N)cc1OC(F)F)C1CCCCC1 437431825 KWNSCUAMWDRWKE-UHFFFAOYSA-N 294.345 3.924 30 20 CHED CS[C@H](C)C(=O)Nc1ccccc1C#Cc1ccccc1 349165808 DZFWIROFFIKTLB-CQSZACIVSA-N 295.407 3.776 30 20 CHED CO[C@@H]1CCOc2c(NCCC(C)(C)C#N)cccc21 345408363 LWMMDAHOYSHWOO-CQSZACIVSA-N 274.364 3.508 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(OCC)c1 340209562 MGVMVHTWQLZIRA-UHFFFAOYSA-N 295.382 3.914 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ccnc2cc(F)ccc12 435591826 HRYBGJWKVPKFMY-YVEFUNNKSA-N 286.350 3.767 30 20 CHED CN(C(=O)c1cc2ccccc2o1)c1ccc(C#N)cc1F 608799448 ZQAUICZMVKSICL-UHFFFAOYSA-N 294.285 3.720 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@H](OCCCC)C1(C)C 436304140 GCSUZNWHLVUTBE-QZWWFDLISA-N 295.467 3.541 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(F)c(Cl)c1 341418991 CBASXAFPUCMBDN-UHFFFAOYSA-N 256.708 3.519 30 20 CHED Cc1cc[nH]c1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 435703236 GCXITFWXXQBNQO-OAHLLOKOSA-N 295.386 3.615 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2occc2C)c1C 254968413 FXJGSODWFGFYIF-SREVYHEPSA-N 272.348 3.707 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)CC(C)(C)C#N 346347818 BGCBQCWJXKRNDF-CQSZACIVSA-N 272.392 3.754 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(C#N)cs1 437912711 SBYPUZJDBBHGBS-JQWIXIFHSA-N 276.405 3.564 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)CCCC(C)C)CC1 600840711 UJRAGSLHBPMNLZ-AWEZNQCLSA-N 266.429 3.809 30 20 CHED C=CCSCCNC(=O)c1ccc(SC2CC2)cc1 341132582 XRNPXGJUTFPSKT-UHFFFAOYSA-N 293.457 3.590 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 522645300 MYYKOHLFWFSOTR-RDBSUJKOSA-N 251.414 3.920 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C 529234722 VTSVZVUDUUHQKV-MCIONIFRSA-N 264.413 3.505 30 20 CHED CC1(C)CN(c2ccc(C#N)cn2)[C@H]1c1ccccc1 604323407 YRIXYXIWUUOLDW-INIZCTEOSA-N 263.344 3.541 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 448583772 WHRACEHJNNBDHQ-XWIAVFTESA-N 295.382 3.608 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)c1ccccc1OC(F)F 341747368 ZCMSLNRCQVYFBT-SNVBAGLBSA-N 289.285 3.728 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1CCCC 604897893 MFOJFJNVLVHQJN-MELADBBJSA-N 252.402 3.609 30 20 CHED CC(C)(C#N)c1nc(C(C)(C)C2CCCCC2)no1 445506317 WDJKJZQNGTYFPI-UHFFFAOYSA-N 261.369 3.729 30 20 CHED Cc1sccc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 603082911 OHJLDDBUSQRVJN-HNNXBMFYSA-N 297.383 3.737 30 20 CHED C=CCCCNc1ccc(-n2cc(C)cn2)c(F)c1 607149882 SPASBGMTLUMAFR-UHFFFAOYSA-N 259.328 3.698 30 20 CHED N#Cc1cc(NC(=O)N2CCC3(CCCCC3)CC2)ccn1 603129978 VIKFCHQAXYNPOU-UHFFFAOYSA-N 298.390 3.531 30 20 CHED CCc1cc(C#N)ccc1OCc1ncc(Cl)s1 442122087 IRBIFSMBJFCMER-UHFFFAOYSA-N 278.764 3.810 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCO[C@@H]2c2ccccc2)CC1 449266522 WEVOGCVXJYTRJP-TXQGORRRSA-N 298.430 3.826 30 20 CHED COc1ccc(C#N)cc1COc1ccc(OC(C)C)cc1 536117519 URKYMQXVRVOHPR-UHFFFAOYSA-N 297.354 3.933 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 539748325 IAXCRLCAQOKLBS-MFKMUULPSA-N 276.767 3.520 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCSc3ccccc32)CC1 358474702 YQACOBDPUMQEPE-OAHLLOKOSA-N 287.428 3.691 30 20 CHED C=CC(C)(C)C(=O)NCCCc1cccc(Cl)c1 448820385 BGGMYXOXGUUKRJ-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H](C)c2ccon2)CCCC1(C)C 445251816 QMSWSNDQIIUIER-OCCSQVGLSA-N 291.395 3.512 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[C@@H](C)CC1 443593758 PRVDHVNLBMBANR-DOMZBBRYSA-N 285.391 3.957 30 20 CHED COc1cccc(CCCSc2ccc(C#N)cn2)c1 610166937 NIUBVRDINQIDFP-UHFFFAOYSA-N 284.384 3.687 30 20 CHED COc1cccc([C@H](C)c2noc(C3(C#N)CCCC3)n2)c1 612918159 UKFBNJMHQNNMAS-LBPRGKRZSA-N 297.358 3.565 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccncc1CC 358705349 GWJGSHPKQXWULQ-CYBMUJFWSA-N 272.392 3.590 30 20 CHED N#CCC[C@H](NC(=O)N1CC[C@H]2CCC[C@H]21)c1ccccc1 614477190 JDCHTXWBQJHJMS-IXDOHACOSA-N 297.402 3.615 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c2ccccc2c1 449549354 XCOWRCRSUZSGTF-MSOLQXFVSA-N 297.398 3.672 30 20 CHED CC[C@@H](N[C@H](C)Cc1ccncc1)c1ccc(C#N)cc1 447585045 IWGUYACPRIETDC-RDTXWAMCSA-N 279.387 3.625 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCc3cc(C)ccc3C2)c1 357860430 PFAXCSIZSPVRGW-UHFFFAOYSA-N 290.366 3.632 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 358053051 ZIEIVAKUNLUYQA-VXGBXAGGSA-N 272.392 3.532 30 20 CHED C[C@H]1c2cc(F)cc(F)c2CCN1CCC(C)(C)C#N 538487102 NOPUQZOTXBUGJR-NSHDSACASA-N 278.346 3.824 30 20 CHED C[C@@H](CC(=O)Nc1cc(CC#N)ccn1)C1CCCCC1 531669910 VKNGHZIQBOJQRS-ZDUSSCGKSA-N 285.391 3.693 30 20 CHED C[C@@H](CC#N)N(C)C(=O)/C=C/c1c(Cl)cccc1Cl 264067819 NGAXXAUYLKEQBE-FGEFZZPRSA-N 297.185 3.767 30 20 CHED C=CCOc1ccc(CC(=O)N(CC2CC2)C2CCC2)cc1 451582216 SKWMIXJSHTYDLL-UHFFFAOYSA-N 299.414 3.585 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C)c2ccccc21 450841149 AZMUTUKJMIEWRQ-LXZKKBNFSA-N 285.387 3.508 30 20 CHED COc1ccc(C#N)cc1CNc1cccc2ccncc12 610927953 AQZZAJYJLRCDTD-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(CC(C)C)CC(C)C 451394677 SURAOUMAZYZJSX-WBVHZDCISA-N 295.467 3.792 30 20 CHED CO[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 611394042 ZETTZVSEBFPIAZ-DLBZAZTESA-N 286.419 3.586 30 20 CHED C=C(C)[C@H](CC(=O)N1CC[C@@H](CC(C)(C)C)C1)OCC 457021281 NQOPCOKAGJIJQD-GJZGRUSLSA-N 281.440 3.642 30 20 CHED CC(C)Oc1ccc(CN2CCC[C@](C)(C#N)C2)cc1 612163834 URIRCROJKSGHAA-QGZVFWFLSA-N 272.392 3.599 30 20 CHED C=CCOc1ccc(C(=O)N(C)C2CC(C)(C)C2)cc1 458214689 UATMBXIBZOERKS-UHFFFAOYSA-N 273.376 3.512 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)c(C)cc1C 453373905 VXGBPDADADZWIX-UAGQMJEPSA-N 259.393 3.606 30 20 CHED C=CCSc1ccccc1C(=O)N(C)[C@@H]1CCSC1 362123303 OFPHXUJXFQTVEC-GFCCVEGCSA-N 293.457 3.542 30 20 CHED CC(C)(CCC#N)CN1Cc2ccccc2C(F)(F)C1 611287260 XOLZFOAATFGICW-UHFFFAOYSA-N 278.346 3.924 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(O)cc1 611526477 PSXMREUYEGEVBA-UHFFFAOYSA-N 260.381 3.544 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1CCCCC#N 366878896 FRVFWLTZXKIRMB-WBVHZDCISA-N 256.393 3.948 30 20 CHED CCSCC[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 271951046 OMMBJLMJNDZELL-NEPJUHHUSA-N 280.412 3.880 30 20 CHED C#CCCCC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 365449706 CZEQPLHNTAWGNG-FQEVSTJZSA-N 295.426 3.687 30 20 CHED N#CC1(C(=O)NCC[C@@H]2CCc3ccccc32)CCCCC1 452318098 RKQXNDPUIQBOTC-INIZCTEOSA-N 296.414 3.697 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nc3cc(F)c(F)cc3[nH]2)C1 450783875 FSBLWCVCYMEJPZ-JGVFFNPUSA-N 279.315 3.625 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1cccc(C#N)c1F 459658373 PNRGNNPUYQHOGB-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H]2CCCC[C@@H]21 459297662 RPZYVBLGKQXKNB-CJNGLKHVSA-N 299.374 3.621 30 20 CHED C=CC(C)(C)CN[C@@H]1CCCc2nc(CC)sc21 453304162 FCNDXWWFMQFDHO-LLVKDONJSA-N 264.438 3.885 30 20 CHED C=CCN(C(=O)C1(c2ccccc2)CCCC1)C1CC1 543453583 PQFBOLNAOPHKNS-UHFFFAOYSA-N 269.388 3.675 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc([C@H]2CCOC2)c1 540528942 FAPNPYOIBKHQDC-PBHICJAKSA-N 287.403 3.665 30 20 CHED C=CCC1(C(=O)N(CCCC)CCCO)CCCCC1 450623870 NJUMLORKEGNMIE-UHFFFAOYSA-N 281.440 3.524 30 20 CHED C[C@@H]1C[C@@H](NCCCC#N)c2cccc(Br)c21 273314796 XTPJYCHGHCHZOZ-ZWNOBZJWSA-N 293.208 3.891 30 20 CHED CO[C@H](C)CSc1nc(-c2ccccc2)ccc1C#N 542937602 XBFYQCGGXZMVKQ-GFCCVEGCSA-N 284.384 3.747 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)C2CCCCC2)CC1 465993171 JMURUWWOCRKUDV-CYBMUJFWSA-N 264.413 3.563 30 20 CHED C=CCCN(C)c1nnc(-c2cccc(F)c2)cc1C 466363048 BAPVPIVUPAFJAS-UHFFFAOYSA-N 271.339 3.603 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(-c2ccncc2)cc1 370969010 OWLATBGBMSDMPK-AWEZNQCLSA-N 295.386 3.512 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(C(=O)CC)c1)OCC 270213905 LRGOSAIIDXXPJS-MRXNPFEDSA-N 289.375 3.589 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](CC)Oc1ccccc1F 467995022 OAFHLFORDAIXKW-GUYCJALGSA-N 293.382 3.702 30 20 CHED C[C@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)CCCC#N 287409568 FEICKUSRGVFXTO-CYBMUJFWSA-N 293.432 3.764 30 20 CHED C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NCCC#N 280550736 JZSSBUUXYXXAPJ-GHMZBOCLSA-N 270.298 3.701 30 20 CHED N#Cc1ccc(N2CC=C(c3c(F)cccc3F)CC2)cn1 372223997 VRNLTPXFGPVGMX-UHFFFAOYSA-N 297.308 3.525 30 20 CHED C=CCOc1ccc(OCc2cccc(F)c2)cc1 462669555 KENYYPZTSOGIEL-UHFFFAOYSA-N 258.292 3.970 30 20 CHED C=CCCCC(=O)NCc1ccc(CSC)cc1 286543317 TVFJKUOLRKKOQM-UHFFFAOYSA-N 263.406 3.522 30 20 CHED CC#CCCCC(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 466640283 GYFQFWMGDZTEEE-INIZCTEOSA-N 291.822 3.971 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cccc(NC(=O)CCC)c1 464437016 MXQOCALCXNSBBH-CYBMUJFWSA-N 288.391 3.966 30 20 CHED C=C[C@@](C)(CCOC)c1nc([C@@H](C)c2cccs2)no1 289166080 UVJXPFTXNFDMQZ-NHYWBVRUSA-N 292.404 3.763 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](CC(C)C)C2)cc1 465301443 QPJLNRZGPXMKGV-HNNXBMFYSA-N 287.403 3.760 30 20 CHED C[C@H](C#N)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 556848118 MSSQESWMLXMZKX-DJIMGWMZSA-N 299.418 3.514 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)C(C1CCC1)C1CCC1 285347265 HDUOKKQHINFLGS-UHFFFAOYSA-N 296.414 3.733 30 20 CHED C=CCCCCCCNC(=O)c1ccc(OC)cc1 805219312 FKNIAGRPKLEOOD-UHFFFAOYSA-N 261.365 3.562 30 20 CHED C=C(CC)CS[C@@H]1CCc2ccccc2NC1=O 479545800 QWVXCSBLCIXRTF-CQSZACIVSA-N 261.390 3.639 30 20 CHED C#Cc1ccc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1 809553220 ZKZVXZNXZKYRGW-UZLBHIALSA-N 291.394 3.630 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C(C)=O)c(C)c1 473771382 ZJVJOBZVKFQLDE-UHFFFAOYSA-N 274.364 3.675 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H]1C1CCCC1 472871049 NYPYTKZQLIECNH-HNNXBMFYSA-N 264.413 3.707 30 20 CHED C=C(C)CN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1 479211628 FQJAFPKMNVLQKQ-QGZVFWFLSA-N 287.403 3.721 30 20 CHED C=CC(C)(C)CNC(=O)C1(c2ccc(C)cc2)CCC1 644732426 FQZVADTUYWXETL-UHFFFAOYSA-N 271.404 3.745 30 20 CHED C[C@@H](C#N)OCCN(C)C1c2ccccc2-c2ccccc21 801934249 IGUORLIQRJUCMM-AWEZNQCLSA-N 292.382 3.617 30 20 CHED CC[C@@H]1CCC1=NNc1nc(C(F)(F)F)cs1 807977369 KQJQFXJEXHBNKU-ZCFIWIBFSA-N 263.288 3.750 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)oc1C 647378423 YMVFVVQMXGMDAR-NSHDSACASA-N 286.356 3.720 30 20 CHED C#CCCc1noc([C@@H](C)c2cccc(CC(C)C)c2)n1 809397417 RTRCBHRAEYLVIP-AWEZNQCLSA-N 282.387 3.986 30 20 CHED CSCC(C)(C)C(=O)Oc1cc(C)c(C#N)c(C)c1C 809035903 CYYHYHQAWGWEFF-UHFFFAOYSA-N 291.416 3.778 30 20 CHED C=CCOc1ccccc1C(=O)N1CC(C2CCCC2)C1 477926592 MKSNTXXFXOXDST-UHFFFAOYSA-N 285.387 3.514 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](Cc3ccccc3)C2)CC1 476161467 QCBJNGBXLBFQOT-QGZVFWFLSA-N 283.415 3.824 30 20 CHED N#CCC[C@H](C#N)CN[C@H]1CCCCC12CCCC2 564868664 HSIHFWGQQIIEJU-CABCVRRESA-N 259.397 3.523 30 20 CHED C#CCCCCNC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 806959153 LBUIBALBXVXLPZ-SJLPKXTDSA-N 298.430 3.973 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1oc2ccccc2c1C 560098508 UBNVLBIUSVMIAA-CFVMTHIKSA-N 299.370 3.510 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)nc1 566018035 SIWNXCKABQEIQW-KRWDZBQOSA-N 297.789 3.944 30 20 CHED C=CCCCCCCNC(=O)NCc1nc(C)c(C)s1 805164375 VOSFATHEIVPCOO-UHFFFAOYSA-N 295.452 3.696 30 20 CHED N#CC[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1 397646424 ZLIIBIBFMYQHQI-OAHLLOKOSA-N 292.382 3.535 30 20 CHED C=CCCC1(C(=O)NC[C@H](C)c2cccc(C)c2)CC1 476123985 REDTZYOTOUZOAI-HNNXBMFYSA-N 271.404 3.961 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCN(C(=O)C2CCCC2)C1 648476301 QXFXXLFPLNIZCE-DOTOQJQBSA-N 292.467 3.502 30 20 CHED C[C@H](NCCOCC1CCC1)c1ccc(C#N)cc1Cl 565517943 DPCOQDNECTXCRF-LBPRGKRZSA-N 292.810 3.679 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 566050384 NFTXIKDKAARYOP-OCCSQVGLSA-N 298.777 3.750 30 20 CHED CC(C)(C)C1CCC(CC(=O)OCCOCCC#N)CC1 815220145 PGSUFYJNEAGSCM-UHFFFAOYSA-N 295.423 3.702 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2cc(C)ccc2s1 810624224 NKKLVQRIGIRJEW-LLVKDONJSA-N 259.330 3.669 30 20 CHED O=C(/C=C/c1cc(O)cc(C(F)(F)F)c1)c1ccco1 811694706 YRXUUMWOUIKXNF-ONEGZZNKSA-N 282.217 3.900 30 20 CHED CCC(=NNc1cccc(Cl)n1)c1cccc(N)c1 814939538 ULQXKYWZVUTBOD-UHFFFAOYSA-N 274.755 3.543 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CCC[C@H](OC)C2)C(C)C)c1 815604349 MBFXEMCLKUGCHI-WMZOPIPTSA-N 299.414 3.615 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1ncccc1C 814911306 AOHMBFXJSDGPCX-UHFFFAOYSA-N 257.312 3.560 30 20 CHED C=CCC[C@H](O)CN[C@@H]1CCCC[C@@H]1Cc1ccccc1 481184476 CIXCZTWUXNGXQV-CEXWTWQISA-N 287.447 3.705 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccn(-c2ccccc2F)n1 489421493 CKVIRZUZVQAVIQ-OAHLLOKOSA-N 285.366 3.552 30 20 CHED CCc1ccc(C#CC(=O)Nc2cscc2C)cc1 815857379 AOKKXZAAVFUWCV-UHFFFAOYSA-N 269.369 3.609 30 20 CHED C=CCn1cccc1C(=O)N1CCCC[C@H]1c1ccc(C)o1 488739501 WPZSXRIOTYGIJW-HNNXBMFYSA-N 298.386 3.943 30 20 CHED C=CCCNCc1cc(Cl)cc(Cl)c1OC 657582760 FGZWQWAMGBAVQN-UHFFFAOYSA-N 260.164 3.668 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(SC)cc1 815313928 ZVVFSZQMVRSDND-UHFFFAOYSA-N 272.316 3.663 30 20 CHED C=CCCC[C@H](C)N(C)CCOCc1ccc(C#N)cc1 571558564 APKNRMZLDDYTGI-INIZCTEOSA-N 286.419 3.751 30 20 CHED Cc1ccc2c(c1)CCN(Cc1ccc(CC#N)cc1)C2 483995837 SPMFAWFDDYMAKO-UHFFFAOYSA-N 276.383 3.619 30 20 CHED Cc1cccc(NN=Cc2ncc(Cl)s2)c1 814687954 YMMQBAQLQFFJBZ-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C=CCCN[C@@H](C)c1ccc(Br)c(F)c1 658117004 PZSGRMUZMBPLLZ-VIFPVBQESA-N 272.161 3.815 30 20 CHED C#CCCCOC(=O)[C@@H](OC1CCCC1)c1ccccc1 727039140 NNTVGLWHSSXMHY-KRWDZBQOSA-N 286.371 3.644 30 20 CHED C#CCC1(C(=O)Nc2cc(C)n(C(C)C)n2)CCCCC1 817510519 FTKHFYDVAJVYGH-UHFFFAOYSA-N 287.407 3.685 30 20 CHED Cc1nsc(Oc2ccc(Cl)cc2)c1C#N 577241992 MYWFIBDRUKIKRH-UHFFFAOYSA-N 250.710 3.769 30 20 CHED N#CCCCCOC(=O)C[C@@H](c1ccccc1)C(F)(F)F 728654825 YVUKZNBUVMLGBA-ZDUSSCGKSA-N 299.292 3.960 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CCC[C@H]1CC)c1ccccc1 827395192 DUKZKMRYKNUDNY-OIISXLGYSA-N 269.388 3.694 30 20 CHED C#CCCCOC(=O)[C@H](Oc1ccccc1)c1ccccc1 727040954 MZXJFKWSJACLOB-GOSISDBHSA-N 294.350 3.763 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C/c2ccccc2F)c1 821017658 LAOPIMGJJDMAKD-ZHACJKMWSA-N 283.346 3.783 30 20 CHED C=CCC1(C(=O)N2CCC(CC#N)CC2)CCCCC1 583481047 BQDQTHJLZHCNJY-UHFFFAOYSA-N 274.408 3.665 30 20 CHED Cc1ccc(NC(=O)C#CC(C)C)cc1C(F)(F)F 820126120 YDYQDCURZLAVTF-UHFFFAOYSA-N 269.266 3.612 30 20 CHED N#CC[C@H]1CCCN(CCc2ccc(F)cc2Cl)C1 826861466 GHBVRVAOWYOCFJ-GFCCVEGCSA-N 280.774 3.647 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)C1CCCCC1 582568533 HOTAZCLAXSFVQM-OCCSQVGLSA-N 252.402 3.609 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1cncc(Cl)n1 731926271 UPEVIYADACSIPH-UHFFFAOYSA-N 288.782 3.859 30 20 CHED COc1cccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2C)c1 739427001 YWEAOCXMXXOPQO-CLFYSBASSA-N 297.310 3.808 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SCCCC(=O)O 738431008 QTNLOJHPXHTFGL-UHFFFAOYSA-N 298.367 3.577 30 20 CHED Cc1ccnc(N[C@@H](C)CCCC(F)(F)F)c1C#N 493541319 FINFOJSSLGFKHG-JTQLQIEISA-N 271.286 3.795 30 20 CHED Cc1ccc(-c2nc(C=NN[C@H](C)C(F)(F)F)co2)cc1 835000769 MFZFBWAKLPKYIQ-SNVBAGLBSA-N 297.280 3.524 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2cnc(C)cc2C)cc1 834902370 HJLWEVWPRWRIRT-MRXNPFEDSA-N 294.398 3.561 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(Cl)nc(Cl)c2)C1 839444907 KXKPVHBGFOTNRC-PSASIEDQSA-N 299.157 3.628 30 20 CHED CC[C@H](N[C@H]1C[C@@H](OC(C)C)C1)c1cccc(C#N)c1 903017255 QXZHOKADRNUGOR-BBWFWOEESA-N 272.392 3.555 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2 730948909 OJKSYTCJZUXIFE-LFIBNONCSA-N 277.367 3.883 30 20 CHED Cc1cccc([C@H](C)/N=C/c2cccc(O)c2O)c1C 734366162 GQZRHQOUTZXEHW-SGPNVBEDSA-N 269.344 3.895 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)NCC2(C#N)CCC2)CC1 580633180 AAFFOEJYKAYGGN-AWEZNQCLSA-N 291.439 3.538 30 20 CHED N#CC1(CCCCO[C@@H]2CCCc3c[nH]nc32)CCC1 902734642 XJGZAIUADLPPDZ-CQSZACIVSA-N 273.380 3.668 30 20 CHED CCCC[C@H](CC)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839059798 XNGQKONYJQZBII-RDBSUJKOSA-N 251.370 3.828 30 20 CHED N#CC1(CCCCOc2ccc3c(c2)NC(=O)CC3)CCC1 902733757 MNSVQHCUZNPKEC-UHFFFAOYSA-N 298.386 3.814 30 20 CHED CCOc1ccccc1C=NOCc1ccc(F)c(F)c1 735488151 GPKQOCGDNLUDQO-UHFFFAOYSA-N 291.297 3.914 30 20 CHED C[C@@H](Nc1ccc(NC(=O)O)c(F)c1)c1cccc(C#N)c1 833526330 TYMVOFXCGHLMNP-SNVBAGLBSA-N 299.305 3.960 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(-c2ccccc2)[nH]1 732062274 IVCKJYROHZBFQK-UHFFFAOYSA-N 295.386 3.694 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(Cl)nc(Cl)c1 837864834 RWACXJRJEPBDAI-UHFFFAOYSA-N 274.147 3.644 30 20 CHED COc1ccc([C@H](C)CSCc2cc(C#N)ccn2)cc1 901804709 WRGNMKDMXGEVTN-CYBMUJFWSA-N 298.411 3.999 30 20 CHED Cc1ccccc1CCC(=O)O[C@H]1CCC[C@H](C#N)C1 839051573 NXGHINJFHDVNLH-HOCLYGCPSA-N 271.360 3.553 30 20 CHED C=CCC1(C(=O)OCc2ccc(OCC#N)cc2)CCCC1 838279168 IJHZNOFZCOIVRR-UHFFFAOYSA-N 299.370 3.769 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccsc1C#N 906936051 CQVWKNXFCNUEAB-JSGCOSHPSA-N 296.395 3.638 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(OC(F)(F)F)c1 837324626 ICRGDPWEGSTIPD-UHFFFAOYSA-N 285.265 3.573 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 834902418 HVXOJIQUSZEBKQ-HXUWFJFHSA-N 286.378 3.707 30 20 CHED C=CCN(C)Cc1ccc(OCc2ccccc2)c(OC)c1 588899131 VITOLXLNLWHQIZ-UHFFFAOYSA-N 297.398 3.892 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)O[C@H]1CCC[C@H](C#N)C1 839046925 SFNIOHUPEQIHJL-KBPBESRZSA-N 296.370 3.644 30 20 CHED N#CCCCCCc1nc([C@@H]2CCc3ccccc32)no1 589127917 QLMSLJCFBZYEHS-OAHLLOKOSA-N 281.359 3.774 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccccc2OC(F)F)C1 839060353 ZRICHRCZCPBJFE-WDEREUQCSA-N 295.285 3.527 30 20 CHED C=CCCCOC(=O)C[C@@H](C)c1ccc(F)cc1 735536538 QGLNYXGMOXPYDJ-GFCCVEGCSA-N 250.313 3.829 30 20 CHED C[C@H](CCO)Sc1c(C#N)cnc2c(Cl)cccc12 591917134 FBIAHUAPEDISDV-SECBINFHSA-N 292.791 3.623 30 20 CHED C=CC(C)(C)C(=O)OCc1ncc(-c2ccccc2)o1 835135317 VCCSHSDLFHUKLY-UHFFFAOYSA-N 271.316 3.597 30 20 CHED C[C@H](c1cccs1)N(C)c1nc(C#N)c(Cl)s1 596082070 FTJHVVLQOVHXQJ-SSDOTTSWSA-N 283.809 3.927 30 20 CHED C[C@@H]1CC=CC[C@H]1COC(=O)[C@]1(C#N)CC12CCCC2 839210961 ATFSBLQQDITRPQ-JKIFEVAISA-N 273.376 3.606 30 20 CHED COc1cc(C)ccc1C(=O)/C=C1/COc2ccc(F)cc21 918156571 QYNBXTGDZNZUEE-WQLSENKSSA-N 298.313 3.801 30 20 CHED CN(C(=O)c1coc2ccc(Cl)cc12)C1(C#N)CCC1 593113875 CKEATVMVVYWAEN-UHFFFAOYSA-N 288.734 3.604 30 20 CHED CC#CCCCCOC(=O)c1cc2cccnc2s1 835311247 OINLMDATFCPRKR-UHFFFAOYSA-N 273.357 3.647 30 20 CHED CC(C)(C)CC(=NNc1ncccn1)c1ccccc1 915959061 HFXGTZGYUBXWJP-UHFFFAOYSA-N 268.364 3.729 30 20 CHED C=CCN(CC=C)c1nn2cc(-c3ccccc3)nc2s1 916972515 YLBBBUNWPAZIDX-UHFFFAOYSA-N 296.399 3.636 30 20 CHED N#Cc1ccc(CCN[C@@H](c2cccs2)C2CC2)cc1 595056099 QTVFPVIYKVRMCF-QGZVFWFLSA-N 282.412 3.903 30 20 CHED CCCCCCCCCN(C)C(=O)c1cccnc1OC 918397373 AYJURAQJBYDWBK-UHFFFAOYSA-N 292.423 3.913 30 20 CHED N#Cc1ccc(NN=C2C3CC4CC(C3)CC2C4)cc1 915961185 BGFVURYRZYFNKS-UHFFFAOYSA-N 265.360 3.782 30 20 CHED CCC#C[C@@H](C)N(C)Cc1ccc(Br)s1 677047871 IKPXNKJSOYMFDI-SNVBAGLBSA-N 286.238 3.744 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2cccc3c2CCC3)cn1 844548044 MSWWUYIXKYAVGQ-KTKRTIGZSA-N 280.371 3.849 30 20 CHED C#CCCCNC(=O)N1CCCC[C@H]1c1cccc(C)c1C 745899633 HJVXFMGOSOOXGL-SFHVURJKSA-N 298.430 3.953 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 596910895 KQWQJVRMMPYACO-LBPRGKRZSA-N 287.338 3.517 30 20 CHED CN(C[C@H]1CC1(C)C)C(=O)N[C@H](CCC#N)c1ccccc1 595567962 TUMABMWYELPYOI-HZPDHXFCSA-N 299.418 3.719 30 20 CHED CCN(Cc1cccc(Cl)c1)C(=O)C#Cc1ccccc1 747355325 OOCKQWKDHFOWTM-UHFFFAOYSA-N 297.785 3.740 30 20 CHED Cc1cc(O)ccc1NC(=O)c1ccccc1SCC#N 748085474 RWBNGLOEYWSUBH-UHFFFAOYSA-N 298.367 3.569 30 20 CHED C=CCCOC(=O)c1cccnc1Sc1ccccc1 740178137 IQHJOAZNEBIPJO-UHFFFAOYSA-N 285.368 3.966 30 20 CHED Cc1cccc(NN=Cc2ccc(C)c([N+](=O)[O-])c2)c1 916256200 OZRRWIQIELIOGB-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2cc[nH]c2)cc1 745195130 GYUDZRLKMWTJMJ-ZDUSSCGKSA-N 255.365 3.823 30 20 CHED C=C(Cl)CN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 743863685 VGQBMDSNAFSINS-KRWDZBQOSA-N 293.838 3.771 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)c1ccco1 744015084 GCTWORWXTJQOLS-GXTWGEPZSA-N 290.322 3.808 30 20 CHED CCc1ccc(-c2cccc(C[C@H](C#N)CO)c2)cc1 592987107 PHVQCKWZMOSZHX-MRXNPFEDSA-N 265.356 3.591 30 20 CHED COCCON=C1C[C@@H](c2ccccc2)Oc2ccccc21 748789560 UKGUIKLTAAYIGX-SFHVURJKSA-N 297.354 3.578 30 20 CHED C=C(C)CNC(=S)Nc1ccccc1C(C)(F)F 840789938 PNVCUTZKSDDBCP-UHFFFAOYSA-N 270.348 3.661 30 20 CHED C=CCCOC(=O)CCCCCc1ccc(O)cc1 740243541 NTCHQALKLPUARF-UHFFFAOYSA-N 262.349 3.614 30 20 CHED CC(=NNc1ccccc1C(=O)O)[C@@H](C)c1ccccc1 746368551 LFUOFLHTSSFTHN-GFCCVEGCSA-N 282.343 3.976 30 20 CHED COCc1ccc(C=NNc2cc(C)cc(C)c2)cc1 741756527 PQFPLHPUBMWNDM-UHFFFAOYSA-N 268.360 3.896 30 20 CHED CCOc1cccc(/C=N/[C@@H]2C[C@@H]2Cc2ccccc2)c1O 741463613 HINGMIAILOUCKB-CHXORGPNSA-N 295.382 3.841 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 745400346 ZISGAWBVSGOGFM-YQQAZPJKSA-N 282.387 3.678 30 20 CHED CCCOc1ccc(Nc2nc(C)ccc2C#N)cc1OC 599204933 AFOSCRZCGLVNOK-UHFFFAOYSA-N 297.358 3.803 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C/C1CCCC1 843547947 QLZXCFHGKYNOAQ-MDZDMXLPSA-N 262.397 3.521 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(OCCC(C)C)cc1 593498467 CUEYXSNHDINOBW-ZDUSSCGKSA-N 274.364 3.600 30 20 CHED CCOc1ccccc1C=NOCc1sc(C)nc1C 742352099 TUTWDBYTOMUTMC-UHFFFAOYSA-N 290.388 3.709 30 20 CHED C#C[C@@H](OC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 842391483 PFMREHARHVDJDI-UONOGXRCSA-N 278.298 3.730 30 20 CHED C[C@@H](NN=C1CCCc2cc(C#N)ccc21)c1ccccc1 743435986 OWEHYRAJUSGYOK-CQSZACIVSA-N 289.382 3.949 30 20 CHED C=C1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 594848133 UKIPWQYPRJXYLR-UHFFFAOYSA-N 273.420 3.772 30 20 CHED C#Cc1cccc(N(CC)C[C@H]2CC2(Cl)Cl)c1 749258955 ZXWGVDUNBJTFFY-GFCCVEGCSA-N 268.187 3.688 30 20 CHED N#C[C@H](c1ccccc1)N1CCCc2sccc2C1 595314176 RHWLGTYNOKQZJS-OAHLLOKOSA-N 268.385 3.761 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCCOc2ccccc21 924880878 DILPRAVMGBLNNM-HIFRSBDPSA-N 272.392 3.818 30 20 CHED C=C(C)CCNC(=S)Nc1ccc(OC(C)C)cc1 840792632 MWTDYKOXXJETQW-UHFFFAOYSA-N 278.421 3.726 30 20 CHED C=CCCCC(=O)OCC(=O)Nc1cccc2ccccc12 748225141 HFJAOALNVTXQMA-UHFFFAOYSA-N 297.354 3.678 30 20 CHED N#CCCCOC(=O)c1cccc(SCCCC#N)c1 758521150 YFGWHSVTASTKON-UHFFFAOYSA-N 288.372 3.543 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1cc(CC)cnc1O 851143138 IZOGXGPIPJRIRK-UKRRQHHQSA-N 289.375 3.641 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc(Cl)cc1)OCC 756468482 BHICQOWZBIXIGY-CQSZACIVSA-N 282.767 3.755 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1scnc1COC 851142168 GLBPNDDMLQYYNL-YPMHNXCESA-N 295.404 3.581 30 20 CHED C[C@H](c1ccccc1)N(Cc1ccccc1)C[C@H](O)CC#N 929366683 MGTAIQICEBBQKI-VQIMIIECSA-N 294.398 3.524 30 20 CHED Cc1cc(C)cc([C@H](NCC2(C#N)CC2)c2cccnc2)c1 926873530 GIXHLCJLLHJELN-GOSISDBHSA-N 291.398 3.681 30 20 CHED COc1ccc(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 750945964 KEHNWCRIEKPHBU-XHDPSFHLSA-N 270.332 3.858 30 20 CHED N#Cc1cc(C(=O)Oc2cccc(F)c2)ccc1Cl 753995299 LXTAERMIXGNLRV-UHFFFAOYSA-N 275.666 3.570 30 20 CHED CCC/C=C\C(=O)N(CCC)Cc1ccc(C#N)cc1 920451320 NHGRJIJZIXFVMK-SREVYHEPSA-N 270.376 3.653 30 20 CHED C[C@H]1CCCCN1N=Cc1nc2ccc(F)cc2s1 853378862 DPPQIACBNGGSME-JTQLQIEISA-N 277.368 3.644 30 20 CHED C[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)C1CCCC1 851210270 SZYOSRPRTCWKAU-NEPJUHHUSA-N 251.370 3.684 30 20 CHED C#CC[C@H](CCOC)Nc1cc(C)nc2c(F)cccc12 858857784 XYZOCDSLDJHYAY-CYBMUJFWSA-N 286.350 3.523 30 20 CHED CC1(COC(=O)c2cc3ccccc3n2CC#N)CCCC1 752554391 KJKLTQRUHGBVBN-UHFFFAOYSA-N 296.370 3.902 30 20 CHED C[C@H]1CCCCN1N=Cc1sc(Cl)nc1Cl 853379634 KTHJHHZHCKDJLK-ZETCQYMHSA-N 278.208 3.658 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)C[C@@H](OC)C2 753576921 XMVMDCMZSZQRQS-AHIWAGSCSA-N 259.393 3.813 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](C)c1oc2ccccc2c1C 753102079 MSELGZYBTUOQJU-CHWSQXEVSA-N 284.359 3.513 30 20 CHED CCCc1ccc(C(=O)/C=C/c2ccc(C(=O)OC)[nH]2)cc1 751515430 ZVKXGLJWINWHFM-ZRDIBKRKSA-N 297.354 3.650 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@@H](C)CC(C)(C)C#N 925680968 LROJNJHDPRCJOK-ZENOOKHLSA-N 292.398 3.820 30 20 CHED Cc1ccc2c(C(=O)OCc3ccccc3C#N)c[nH]c2c1 920607258 JZPMJWFCKHZKSI-UHFFFAOYSA-N 290.322 3.705 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 757471431 FCKOTPSACUDUCW-YHYXMXQVSA-N 298.338 3.783 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1COc2c(Cl)cccc21 925518335 OYZLMZJPCJHSKM-GXFFZTMASA-N 278.783 3.691 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cccc(F)c1)C2=O 921264174 PJBANVLGKIRCCA-ZSOIEALJSA-N 252.288 3.957 30 20 CHED CCCn1cccc1C=NNc1cc(F)cc(F)c1 920374980 OWVUNAXTBWOLOL-UHFFFAOYSA-N 263.291 3.622 30 20 CHED CCCc1occc1C(=O)O[C@H](C)CC(C)(C)C#N 851204357 PLANYUQRDLZYFO-LLVKDONJSA-N 263.337 3.717 30 20 CHED C=CCCC(C)(C)NC(=O)c1sc(NC2CC2)nc1C 857341342 YJQVPTJWROTNKH-UHFFFAOYSA-N 293.436 3.500 30 20 CHED CC(C)OCCNN=Cc1ccc(-c2cccs2)cc1 853328980 SPWBLRBNPOPHEB-UHFFFAOYSA-N 288.416 3.764 30 20 CHED CCCC[C@@H](CC)C(=O)OCc1ccc(F)c(C#N)c1 758931209 FPHMOFXEUINJGW-CYBMUJFWSA-N 277.339 3.957 30 20 CHED CC[C@H]1CCCC1=NNc1oc(CC(C)C)nc1C#N 758374990 MKZCSSCTATXKSK-NSHDSACASA-N 274.368 3.723 30 20 CHED C#CCCCCNC(=O)NC[C@H](c1ccccc1)C(C)C 758697696 VLEWNEPUYIRMLQ-KRWDZBQOSA-N 286.419 3.529 30 20 CHED CS/C=C\C(=O)Nc1cccc(C#Cc2cccs2)c1 751560487 ARDHYQIQEGVGLC-LUAWRHEFSA-N 299.420 3.963 30 20 CHED OC1CCC(=NN=C(c2ccccc2)c2ccccc2)CC1 761745427 XQNSUBBOXHDDBC-UHFFFAOYSA-N 292.382 3.815 30 20 CHED COc1nccnc1NN=C1CCCC[C@H]1c1ccccc1 763422831 VWFYSDGCHUFTLP-AWEZNQCLSA-N 296.374 3.611 30 20 CHED CCC(=NNc1cccc(F)c1Cl)[C@@H]1CCOC1 863158958 XHDPYLBVEZHHFC-SECBINFHSA-N 270.735 3.694 30 20 CHED C#C[C@H](OC(=O)c1cccc(-c2ccoc2)c1)C1CC1 767527022 PJZAFMATALJBKJ-INIZCTEOSA-N 266.296 3.515 30 20 CHED C=C(Cl)CN(C)Cc1ccc(N2CCCCC2)cc1 764844418 GIWSRBJWROFDGP-UHFFFAOYSA-N 278.827 3.861 30 20 CHED CC(=NNc1cc(C)ccc1C)c1sccc1O 769781714 NUHASCYWLVBHOB-UHFFFAOYSA-N 260.362 3.907 30 20 CHED CCC(C#N)(CC)C(=O)OCCC1(C#N)CCCCC1 860199716 HNIJIVXWILHAQB-UHFFFAOYSA-N 276.380 3.724 30 20 CHED Fc1ccc(NN=CCCC2CCOCC2)c(F)c1 764890852 DAGPEQZDPQOPKH-UHFFFAOYSA-N 268.307 3.569 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@H]1CC(C)C 931281284 WTJQFRRHPZXKHV-HNNXBMFYSA-N 270.376 3.517 30 20 CHED COc1ccsc1/C=C1/CCc2cc(O)ccc2C1=O 764434435 ZGCVCTIGMBGVNG-LUAWRHEFSA-N 286.352 3.675 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H]2CC[C@@H](C)C2)n1 762002624 YKSNLQPVCJAOST-CHWSQXEVSA-N 282.343 3.652 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](C)Cc1ccccc1Cl 761431764 SPSRTKDIHYSLTG-LBPRGKRZSA-N 294.778 3.597 30 20 CHED C#CCSCCN[C@@H]1C[C@H](c2ccccc2)C1(C)C 766328733 GDZNGGSXMVEUQE-HZPDHXFCSA-N 273.445 3.525 30 20 CHED CC(Cc1ccncc1)=NNc1cccc2cnccc12 767786243 NTJHANQRMNGCEK-UHFFFAOYSA-N 276.343 3.660 30 20 CHED CCC[C@@H](C=NNCC(F)(F)F)c1ccccc1 769809023 WZMZJFMESUIUJG-LBPRGKRZSA-N 258.287 3.708 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1c(C)cccc1SC 879239259 VBGLTCLNJHONOT-HNNXBMFYSA-N 276.405 3.640 30 20 CHED Cc1cc(Cl)ccc1C=NNc1ccc2[nH]ncc2c1 767386916 XFBFHRQTBNAQPF-UHFFFAOYSA-N 284.750 3.971 30 20 CHED Cc1ccccc1-c1cccc(C=NNC[C@@H](C)C#N)c1 771099859 RIYGLRPOVHCAEA-AWEZNQCLSA-N 277.371 3.745 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(OCCOC)cc1C 878320009 GMGOFHPOUQCCGK-UHFFFAOYSA-N 291.391 3.561 30 20 CHED Cc1cc(C=NN[C@H]2CCCCC2(C)C)c(C)n1C 773126928 XBUPZGNFDMAJNC-HNNXBMFYSA-N 261.413 3.534 30 20 CHED C=C(CN[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1 775383012 SRFVTNOOAWNRBS-OAGGEKHMSA-N 291.485 3.669 30 20 CHED N#C[C@H](OC(=O)/C=C/c1ccsc1)C1CCCCC1 776363584 IZFHWVPZJCWYCR-UZYOAWRESA-N 275.373 3.777 30 20 CHED N#CCCCCOC(=O)C1(c2ccc(F)cc2F)CCC1 777210693 GQGROGKVBGVIMY-UHFFFAOYSA-N 293.313 3.624 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccncc2CC)ccc1O 776191709 JQMAEBKNVZZVEX-FNORWQNLSA-N 297.354 3.644 30 20 CHED C=CCCOCCCCC(=O)N1CCCCCCC1 775646201 VKRNZHRCNDOOOL-UHFFFAOYSA-N 267.413 3.542 30 20 CHED Cn1cc(CCC(=O)OCCC(C)(C)C#N)c2ccccc21 776396211 DDBCBJSXDRBKED-UHFFFAOYSA-N 298.386 3.594 30 20 CHED C=CCC[C@@H](NC(=O)COC1(C)CCC1)c1ccccc1 773088702 NWNCCQGLUBJBQZ-MRXNPFEDSA-N 287.403 3.769 30 20 CHED CN(CCc1ccccc1F)Cc1cccc(C#N)c1F 774619419 AGMZTJAMKPTPIV-UHFFFAOYSA-N 286.325 3.511 30 20 CHED C=CCC(F)(F)C(=O)Nc1c(C(C)C)nc2ccccn12 887076274 CUXXDQWUTXCPMU-UHFFFAOYSA-N 293.317 3.608 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(Cc2nc(C)no2)cc1 885615875 UHXQFKBBNOTQIB-UHFFFAOYSA-N 299.374 3.510 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)cs2)CC1 1128211466 PVFZXJBOXCVTPU-KGLIPLIRSA-N 290.432 3.954 30 20 CHED Cc1ccc(-c2ccc(C(=O)N(C)[C@H](C)C#N)c(F)c2)cc1 1129419779 JFBALAILIUVRGA-CYBMUJFWSA-N 296.345 3.785 30 20 CHED C#C[C@H](N[C@H](C)c1cccc2ccccc12)[C@H]1CCCO1 775571569 IKLFGRADKPQQRB-MDASCCDHSA-N 279.383 3.671 30 20 CHED Fc1ccc2oc(C=NOCCC(F)(F)F)cc2c1 777463019 WDWPCTOTFMTILW-UHFFFAOYSA-N 275.201 3.875 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 880350058 UIJAYLQUOROLKO-CYBMUJFWSA-N 270.376 3.680 30 20 CHED C=C[C@H](C(=O)N[C@]1(C#N)CCC[C@H](C)C1)c1ccccc1 1123663152 QMHRFFBKLGJDKE-QILLFSRXSA-N 282.387 3.545 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cc2ccccc2s1 788037363 UWCBKZIRKNRUTE-GFCCVEGCSA-N 275.373 3.678 30 20 CHED C=CC(C)(C)CC(=O)OCc1cc(C(C)(C)C)on1 884648877 KLOOZXZYBWHDBB-UHFFFAOYSA-N 265.353 3.618 30 20 CHED C=C1CC(c2noc([C@@H]3CCc4ccc(OC)cc43)n2)C1 896878346 YNUGNQVFBRUVKV-CQSZACIVSA-N 282.343 3.590 30 20 CHED C=CCCCCCOC(=O)c1c(F)cccc1NC(C)=O 783671598 AMTQOHMRABZPAR-UHFFFAOYSA-N 293.338 3.687 30 20 CHED C=CCCCC(=O)OCc1cc(Cl)cc2c1OCC2 783477538 ONQZLVUIRSDDPH-UHFFFAOYSA-N 280.751 3.674 30 20 CHED CC#CCCCC(=O)N1CCCc2cc(F)c(F)c(F)c21 891398880 OOVGOPCSRAJIHN-UHFFFAOYSA-N 295.304 3.577 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H](CC)C(C)C)cc1C#N 783661738 SLALHYZMOOZMPM-AWEZNQCLSA-N 289.379 3.973 30 20 CHED C=C(C)CCc1noc([C@@H](O)[C@H](C)c2ccc(C)cc2)n1 896281032 MWLMQOPBDZQYPD-CJNGLKHVSA-N 286.375 3.724 30 20 CHED C[C@@H](CCC#N)CNc1ccc(Cl)c(N(C)C)c1 896650206 RRXMFJLUILEXLG-NSHDSACASA-N 265.788 3.758 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](C)c1cccs1 780380314 UAKLTCBSVQHOAC-ZDUSSCGKSA-N 263.406 3.851 30 20 CHED COc1ccc(NN=C2CCCc3ccc(C)cc32)nc1 780275924 HWIQMVGLLHCFCK-UHFFFAOYSA-N 281.359 3.551 30 20 CHED C=CC[C@@H](NCc1nc(C)c(C)s1)c1ccncc1 892973707 VVCOPNFGUCBBGN-CQSZACIVSA-N 273.405 3.562 30 20 CHED Cc1ccnc(N2CCC[C@@H]2c2ccsc2)c1C#N 273314003 JBGARQWLMMJITA-CQSZACIVSA-N 269.373 3.665 30 20 CHED O=C(/C=C\c1cc2ccccc2o1)c1ccnc(F)c1 794718760 LBQDKMNKZVNVCZ-WAYWQWQTSA-N 267.259 3.863 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 793523887 GUZMPMHABWTLMD-ULQDDVLXSA-N 294.483 3.891 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2ccnc(F)c2)c1 794720766 UGCWAMBFBDOOQB-VOTSOKGWSA-N 285.318 3.906 30 20 CHED Cc1ccsc1/C=C1/CCc2ccc(O)cc2C1=O 794960961 ZWSSVAXRJXAABU-WQLSENKSSA-N 270.353 3.975 30 20 CHED Cc1c(NN=C2CCC[C@@H]2CCF)cccc1[N+](=O)[O-] 794904838 MEHUHEVASRHRAS-LLVKDONJSA-N 279.315 3.831 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)cc1F 189941345 YUFXMDGGTAWSQI-UHFFFAOYSA-N 276.355 3.679 30 20 CHED CC[C@@H](CNc1ccc(F)c(C#N)c1)CC(F)F 594700515 JFIWEADYIGNCGS-SECBINFHSA-N 256.271 3.791 30 20 CHED CN(C(=O)c1ccc(F)cc1Cl)c1ccc(C#N)cc1 61954838 IUQULTWDHJKBBH-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccnc(N(C)C)c1 791566538 RBKAAGLROCLIDE-UHFFFAOYSA-N 295.430 3.726 30 20 CHED CCCCCCC[C@@H](C)NCc1cc(C)nn1C 688932944 KHRKKODNFKDYEY-CYBMUJFWSA-N 251.418 3.567 30 20 CHED C#C[C@@H](CCC)NC(=O)CCc1ccc(Cl)c(Cl)c1 791197335 IIQVLCJTIKLIPG-LBPRGKRZSA-N 298.213 3.844 30 20 CHED N#CCc1ccc(NC(=O)CC(C2CC2)C2CC2)cc1 65051046 KRLBVXBZCKIMKC-UHFFFAOYSA-N 268.360 3.517 30 20 CHED CC1(C)Cc2cc(N[C@@H]3CC[C@H](C#N)C3)ccc2O1 799724288 KGJBREHZOSXASR-WCQYABFASA-N 256.349 3.504 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)OCC#CC(C)(C)C 798889584 MXJSXDJUXWQBQC-UHFFFAOYSA-N 283.371 3.612 30 20 CHED N#C[C@H]1CC[C@@H](NC2CCC(OC3CCCC3)CC2)C1 1206377254 REXWBPDUMQYGFZ-UJEKJILKSA-N 276.424 3.539 30 20 CHED CCSc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 1207313467 ISNGWDXKWPRQNE-GJZGRUSLSA-N 274.433 3.971 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NN[C@H]1CCOC(C)(C)C1 797403485 OAROAGYSNFKVHI-MJBXVCDLSA-N 266.429 3.736 30 20 CHED C[C@H]1CCC[C@H](C=NNc2cccc(F)c2[N+](=O)[O-])C1 790311291 ZJGKZZCBDJIGNG-QWRGUYRKSA-N 279.315 3.958 30 20 CHED COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)ccc1C#N 799497163 JESWEXSANQWYIL-LZYBPNLTSA-N 289.334 3.698 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1C[C@H](c2ccccc2)C1 797784809 JKMLBMOPGBNZFM-QHURADCZSA-N 281.355 3.766 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cccc(C#N)c2)c(O)c1 799894663 AZXSYHJCBGHXEK-SREVYHEPSA-N 277.323 3.777 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CCCSC2)n1 588847407 VVUCLLVDOAWUJQ-LBPRGKRZSA-N 289.448 3.806 30 20 CHED C[C@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CS1 591192087 OAHGTBGCKYUCIF-CMPLNLGQSA-N 275.421 3.557 30 20 CHED Cc1cc(OCc2ncc(C(C)C)o2)ccc1C#N 766069169 UHBZJTMIMIMJHQ-UHFFFAOYSA-N 256.305 3.557 30 20 CHED C=CCCOCCN[C@H](c1ccc(C)cc1)C1CC1 91406685 PCEUGXUIQCVQDT-QGZVFWFLSA-N 259.393 3.628 30 20 CHED C[C@@H](NCc1cc2cnccc2o1)c1cccc(C#N)c1 1308520345 YFMSAMCHVWLSLM-GFCCVEGCSA-N 277.327 3.550 30 20 CHED C=CCC[C@@H](NC(=O)c1nc(C)cs1)c1ccccc1 1319906436 CTRKYAYJKXTLBO-CQSZACIVSA-N 286.400 3.889 30 20 CHED CCOC1CCC(=NNc2ccc(C(C)(C)C)nn2)CC1 1327679627 HFKHXOBCJLMUFD-UHFFFAOYSA-N 290.411 3.521 30 20 CHED CCOCc1ccc(NC(=O)CCCCCC#N)cc1 1326740965 HPUNAEFNPCOGBB-UHFFFAOYSA-N 274.364 3.636 30 20 CHED C[C@H]1CCC[C@H](c2nnc(-c3ccc(C#N)cc3)o2)C1 1322501458 AICBMRDXWSCXNZ-FZMZJTMJSA-N 267.332 3.902 30 20 CHED N#CCc1cccc(N[C@H]2CCc3ccc(Cl)cc32)n1 1331332214 BKMHAUMVCUWDGZ-HNNXBMFYSA-N 283.762 3.900 30 20 CHED C=C1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 1334856435 ZCEDDJXIZAMPLK-UHFFFAOYSA-N 298.308 3.975 30 20 CHED COc1ccc(C#N)cc1NCCc1ccc(Cl)cc1 1652158841 LYIPMQNDBUQGOW-UHFFFAOYSA-N 286.762 3.875 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)CC#Cc1ccccc1 1344887210 YXZIVUZFQWDHCQ-LJQANCHMSA-N 283.415 3.855 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Br)cc1OC 1262635803 AXJNNBCIHOVINV-UHFFFAOYSA-N 298.180 3.753 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1ccc(C#N)cc1F 1353483318 UZBVQNLZTBXFIH-UHFFFAOYSA-N 276.355 3.642 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCc2cc(F)ccc21 1435497253 QZSARGAKHSXQKS-INIZCTEOSA-N 294.329 3.674 30 20 CHED Cc1cc([C@@H](C)NC(=O)Nc2sccc2C#N)c(C)o1 1354906994 USBUQANYAVQLAN-SECBINFHSA-N 289.360 3.712 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]1C1CCCCC1 1458346692 MCLDGRHKYGARFC-JKSUJKDBSA-N 265.360 3.811 30 20 CHED N#Cc1nc(NCc2cc(F)ccc2F)sc1Cl 1458168528 YFNZXWGGWDXNDC-UHFFFAOYSA-N 285.706 3.558 30 20 CHED CC(C)c1ccccc1C(=O)OCC1(CC#N)CC1 1524755696 NACOSQLZGOBVTA-UHFFFAOYSA-N 257.333 3.661 30 20 CHED C=CCCC[C@H](C)Sc1nc(C(=O)O)cs1 1602862651 HITWFAWXKKGGEJ-QMMMGPOBSA-N 257.380 3.678 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 1537592892 CYBDIQCGLVNKKG-GDBMZVCRSA-N 284.403 3.811 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]([C@H](C)N)C1 115859419 NFMWRCXYZDCHBD-JKSUJKDBSA-N 282.472 3.713 30 20 CHED Cc1sc(C(=O)O)cc1CN(CCC#N)CCC(C)C 1610589852 OVJSTMSAGBQUIZ-UHFFFAOYSA-N 294.420 3.517 30 20 CHED CC(C)[C@@H]1CCCCN1c1ncc(C#N)cc1Cl 118752682 CODHGZRSBPORJK-ZDUSSCGKSA-N 263.772 3.622 30 20 CHED Cc1ccc(Nc2snc(C)c2C#N)cc1N1CCCC1 1559273187 CLAGACAGKNLYBL-UHFFFAOYSA-N 298.415 3.975 30 20 CHED C=CC[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1 35051609 QMQRSIPGNNMLQN-ZDUSSCGKSA-N 265.328 3.968 30 20 CHED Cc1cc(C#N)ccc1Oc1ncccc1Br 1642188520 DSHJQRURVJKUBZ-UHFFFAOYSA-N 289.132 3.817 30 20 CHED CC[C@@H](CC#N)NC/C=C/c1c(C)cc(C)cc1C 1657118792 OALYJDUSOQBZFN-MOEXGYKKSA-N 256.393 3.907 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1C)[C@H]1CC1(C)C 1654774706 IANJXMOJLMKUMH-HZPDHXFCSA-N 256.393 3.781 30 20 CHED C=CC[C@H](SCc1ccccc1Cl)C(=O)O 1588758727 IYADEXFADDCGMV-NSHDSACASA-N 256.754 3.603 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC[C@H]1C(=O)O 1588771509 WNWJQCJJGIUVFS-QXSJWSMHSA-N 279.424 3.602 30 20 CHED CCc1cccc(N(C)C(=O)Nc2ccc(F)cc2C#N)c1 1669072405 DTGOZFSAXWTROW-UHFFFAOYSA-N 297.333 3.928 30 20 CHED C[C@@H]1C(=NN2CCC(C(C)(C)C)CC2)CC[C@@H]1CC(=O)O 1594120315 DYTKGHWWITYFKJ-QWHCGFSZSA-N 294.439 3.621 30 20 CHED CCCCCCCOc1ccc(N(C)C)c(C(=O)O)c1 1595708696 BPMZQDFCPNSJJX-UHFFFAOYSA-N 279.380 3.800 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1ccc(C#N)c(F)c1 1596288255 DNPLRZGOKJZUJH-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C=CCCCCCN1Cc2ccccc2C[C@H]1CC(=O)O 1776733268 DTJGOUVJRQZOSY-KRWDZBQOSA-N 287.403 3.634 30 20 CHED CSc1cccc(NCc2cccc(C#N)c2)c1 19900546 LHWRVKROYIHXHM-UHFFFAOYSA-N 254.358 3.892 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(C#N)c1 158980220 AOMSUSRUFHQIRA-KBPBESRZSA-N 282.368 3.670 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cccc(OC(F)F)c1 163325414 KNJNSRAIJKTJRM-GHMZBOCLSA-N 255.308 3.903 30 20 CHED N#CCC[C@H](NC(=O)NC[C@H]1CC=CCC1)c1ccccc1 151389581 JDJLLEFLGKYYCC-RDJZCZTQSA-N 297.402 3.687 30 20 CHED C=C[C@@H](CC(=O)N(CC)CC(=C)C)c1ccccc1 152298037 SRGBNHDMCUFTNX-HNNXBMFYSA-N 257.377 3.771 30 20 CHED CC(C)(CCC(=O)N(CCC#N)CC1CC1)c1ccccc1 152809008 RHFFEHXIXKZLIM-UHFFFAOYSA-N 298.430 3.897 30 20 CHED CC(C)(C#N)CCN1CCC[C@H]1Cc1ccccc1 157551656 QBHBDOVXVSVGIH-INIZCTEOSA-N 256.393 3.633 30 20 CHED CC#CCCN(C)[C@@H](C)c1sc(C(C)C)nc1C 157151463 HUCYPOYSKSJACG-ZDUSSCGKSA-N 264.438 3.981 30 20 CHED C=C[C@H](C)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 155852019 ZAUCRBNACBFMPV-GXFFZTMASA-N 285.309 3.890 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 154226145 MDGAOBNDCPMPEV-AWEZNQCLSA-N 274.408 3.570 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)c1ccc(C#N)c(Cl)c1 154313223 MJHCXXWERVNWLM-SNVBAGLBSA-N 288.734 3.638 30 20 CHED C=CCC[C@@H](NCc1ccc(N(C)C)nc1)c1ccccc1 159901473 KXRITHKEGCRZGF-GOSISDBHSA-N 295.430 3.945 30 20 CHED CCN(Cc1cccc(C#N)c1)c1cccc(C)c1 31945969 JONWGGAYGZVDJH-UHFFFAOYSA-N 250.345 3.893 30 20 CHED Cc1c(C)c(C)c(CN2CCC[C@H](C#N)C2)c(C)c1C 1231494372 MTPQKGKSPHETDJ-QGZVFWFLSA-N 270.420 3.964 30 20 CHED N#Cc1ccc(NCc2cccnc2)c(C(F)(F)F)c1 36973615 NCRNGSUOUDEBCK-UHFFFAOYSA-N 277.249 3.584 30 20 CHED Cc1cc(C)c(CNCc2cccc(C#N)c2)cc1C 37501691 QBZUBLIEOITVCE-UHFFFAOYSA-N 264.372 3.773 30 20 CHED Cc1ccc(Sc2nnc(C)c(C)c2C#N)c(C)c1 40217675 SZGNACQNFAXPGW-UHFFFAOYSA-N 269.373 3.733 30 20 CHED CCC1CCC(CNC(=O)C(C#N)(CC)CC)CC1 45008566 PXXGSFFSDBWJKV-UHFFFAOYSA-N 264.413 3.649 30 20 CHED N#Cc1ccc(COc2cc(Cl)ccc2[N+](=O)[O-])cc1 49918409 PTNCRPLVXYORHL-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C[C@@H]1CC(NCc2ccc(C#N)c(F)c2)C[C@@H](C)C1 404111275 DOSDEKBSDHNFJL-RYUDHWBXSA-N 260.356 3.612 30 20 CHED C=C(C)CCNC(=O)c1cc(C)sc1Br 452717615 MMOOJGCIDUHLEY-UHFFFAOYSA-N 288.210 3.515 30 20 CHED C[C@H](O)CN(CCCCC(C)(C)C#N)Cc1ccccc1 573886143 OFNLEUXTJJEPCR-INIZCTEOSA-N 288.435 3.589 30 20 CHED C=C(C)CN(C)Cc1cc(F)cc(Br)c1 481279471 DOBNUUXNQKDXDO-UHFFFAOYSA-N 272.161 3.596 30 20 CHED N#Cc1cnc2ccccc2c1N1[C@H]2CCC[C@H]1CC2 371184708 JXMALATXNDAMDS-KBPBESRZSA-N 263.344 3.628 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 397755885 QKPQSYHEJBLTAS-LLVKDONJSA-N 266.747 3.605 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1ccccc1F 791566623 BHVXZFIKNGKPKT-LJQANCHMSA-N 299.389 3.937 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]2F)cc1C(F)(F)F 549705690 LTTPUDHGNCSRAI-NWDGAFQWSA-N 272.245 3.880 30 20 CHED Cc1ccc(C)c(NC(=S)Nc2cccc(C#N)c2)c1 7517793 SRKLWSSWOROOBW-UHFFFAOYSA-N 281.384 3.984 30 20 CHED N#Cc1cc(F)ccc1NCc1cccc(Cl)c1 113317671 HOWLJYPAYXPTRE-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H](C)c1ccccc1F 108994578 IXRXDRKZTPNXEE-CQSZACIVSA-N 290.382 3.718 30 20 CHED C#CCCSc1nc(C(F)(F)F)nc2ccccc12 178164454 WMRHIURCJNONGP-UHFFFAOYSA-N 282.290 3.764 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1oc(C)cc1C 176251338 UHTSLOPLVDGATK-UHFFFAOYSA-N 294.354 3.597 30 20 CHED C#CCCOc1cc(Br)ccc1Cl 69717588 URRDIIOSFWZRRR-UHFFFAOYSA-N 259.530 3.505 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cccc(OCCC)c2)c1 103030698 RCVNBDWSBRDMEZ-UHFFFAOYSA-N 293.366 3.733 30 20 CHED N#CCCCOC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173535121 QRPVDCBIKCHWBL-OLZOCXBDSA-N 298.169 3.944 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@@H](C)c1cccnc1)c1ccccc1 119808681 JTOAZYPXCCJMJA-HOTGVXAUSA-N 294.398 3.961 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)c1cc2ccccc2o1 175867579 GZARDYVBZGJXJY-ZDUSSCGKSA-N 269.344 3.737 30 20 CHED CCc1nc(Oc2ccc(C#N)cc2)c2ccsc2n1 301842191 ZOSHZPUYBAUSFK-UHFFFAOYSA-N 281.340 3.918 30 20 CHED Cc1c(NC(=O)NCCCCC#N)cccc1C(F)(F)F 178147386 GHINPVMBTFVLOX-UHFFFAOYSA-N 299.296 3.829 30 20 CHED C#CCN(Cc1ncc(C)s1)[C@@H]1CCc2ccccc21 180445616 CZUMYQYUQJJBSK-MRXNPFEDSA-N 282.412 3.574 30 20 CHED C=CCCC(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 174690036 CSNAIUABUFIIOT-UHFFFAOYSA-N 295.382 3.945 30 20 CHED CC(=O)Nc1ccc(C)cc1OCCCC(C)(C)C#N 177293631 HVUQDYHSYIIUNW-UHFFFAOYSA-N 274.364 3.662 30 20 CHED N#Cc1cccc(N[C@@H]2CCSc3ccc(F)cc32)n1 301825186 IPMUQUOOYDUVIR-CYBMUJFWSA-N 285.347 3.741 30 20 CHED C#CCCCNC(=O)CCc1ccc(-c2ccccc2F)o1 172934335 GWUZTAGHCAWLRX-UHFFFAOYSA-N 299.345 3.548 30 20 CHED C=C(C)COCCNC(=O)Nc1cccc(SCC)c1 178206940 SGSZIUWTXJCXMV-UHFFFAOYSA-N 294.420 3.513 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2csc(Cl)c2)C1 188038257 SVBULEQGSHRXIX-TVQRCGJNSA-N 282.796 3.604 30 20 CHED N#CC1(C(=O)N2CCCC3(CCCC3)C2)CCCCC1 354226155 CPLDEUXSDASILO-UHFFFAOYSA-N 274.408 3.643 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC=CCC1 412837302 HNOUEUMGOHXCIV-DLBZAZTESA-N 269.388 3.646 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2c(O)cccc2F)cc1 126817175 KKUKGKRAPOTBTO-UHFFFAOYSA-N 298.317 3.585 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)s1 412822888 MFUGFJUSPJPMKR-NEPJUHHUSA-N 276.405 3.564 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Cc2ccncc2)cc1 185110349 LBAKYPFOOXLJMV-UHFFFAOYSA-N 292.382 3.660 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)NCCCCC#N)C1(C)C 413250449 NWVZIYKJUJYAHV-AWEZNQCLSA-N 293.455 3.927 30 20 CHED CC[C@H](CC#N)NCc1cc(-c2ccncc2)ccc1OC 187395906 DMRRHHCWGMOWBI-QGZVFWFLSA-N 295.386 3.539 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412276039 XZZCOGCHIOODBQ-FGTMMUONSA-N 296.414 3.556 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc2ccccc2c1 126461288 RBKPYENOCCKPSO-HNNXBMFYSA-N 294.398 3.841 30 20 CHED N#Cc1ccccc1/C=C1\CCOc2ccccc2C1=O 121186120 CNFWVPOGQMACGO-SDNWHVSQSA-N 275.307 3.607 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2c2ccccc2)cc1F 361827622 CYMPXSSMPLVLJF-QGZVFWFLSA-N 266.319 3.644 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 181644863 VYZQLSPTCOLYNO-ZDUSSCGKSA-N 276.380 3.904 30 20 CHED Cc1cccc(CN(C)c2ccc(C#N)c(C)n2)c1C 488470404 RGXJKNHJFFBVGS-UHFFFAOYSA-N 265.360 3.515 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C(C)C)cc2)n(C)n1 210379585 QUZBXOKCHAMZOC-KTKRTIGZSA-N 268.360 3.748 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 412848902 ZMVPYEURIJCRHE-XMTFNYHQSA-N 283.415 3.726 30 20 CHED C=C(C)CN(CC)C(=O)c1[nH]c(C)c(C(C)=O)c1CCC 79718366 ZFMDLDGDDVYUNA-UHFFFAOYSA-N 290.407 3.516 30 20 CHED Cc1cc(CNC(=O)c2cccc(C#N)c2C)ccc1Cl 509306859 RBUAWVZRMLSXHH-UHFFFAOYSA-N 298.773 3.759 30 20 CHED CC[C@H](N[C@@H]1C[C@H](OC)C12CCC2)c1ccc(C#N)cc1 414186047 OVZCUETUHYONRN-BBWFWOEESA-N 284.403 3.557 30 20 CHED COc1cc(CNc2c(F)cc(C#N)cc2F)ccc1C 500514015 GGCAYCPOSZNHJR-UHFFFAOYSA-N 288.297 3.766 30 20 CHED Cc1cccc(-n2ccnc2S[C@@H](C)CCC#N)c1 188258925 MIFCHZRLQYVKHB-ZDUSSCGKSA-N 271.389 3.965 30 20 CHED N#Cc1ccc(OCCOc2cc(Cl)cc(C#N)c2)cc1 314042923 NJTKULWXDLAHPY-UHFFFAOYSA-N 298.729 3.541 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)co1 130338074 JMANXRJWYSKOJS-UHFFFAOYSA-N 294.232 3.731 30 20 CHED N#C[C@H](NC(=O)c1coc2ccccc12)C1CCCCC1 70392070 IZDQCUJFZDNWJR-HNNXBMFYSA-N 282.343 3.635 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 72502999 UHKAUPGUMFHRDZ-HNNXBMFYSA-N 285.391 3.653 30 20 CHED C=CCSCCN[C@H]1CCC[C@H](C(F)(F)F)C1 129733822 GPSFVTGJEWBBBN-QWRGUYRKSA-N 267.360 3.616 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ncc(C#N)cc2F)C1 413158334 RUXVTNOIJRPQRT-UKRRQHHQSA-N 295.361 3.783 30 20 CHED CCCc1sc(C(=O)N[C@H](C#N)CCC)cc1CC 522960899 DJFZIEDYRGGGKN-LBPRGKRZSA-N 278.421 3.685 30 20 CHED N#CCCSCCn1ccc2cc(Cl)ccc21 413012560 GDNJAPSRKNBIBO-UHFFFAOYSA-N 264.781 3.942 30 20 CHED N#Cc1ccc(OCc2sccc2Br)cc1 44427660 BMDLHCIXRRABHD-UHFFFAOYSA-N 294.173 3.961 30 20 CHED C[C@H](/C(O)=N/[C@@H]1CCCc2occc21)c1ccccn1 328765697 GWGCODXZXHGLDR-SMDDNHRTSA-N 270.332 3.812 30 20 CHED N#CCSCCCN1CCCc2cc(Cl)ccc21 80722199 IBBDOVWFZZPWPE-UHFFFAOYSA-N 280.824 3.739 30 20 CHED Cc1c(C(O)=Nc2cnc3c(c2)CCCC3)cnn1C(C)C 329477424 UNFIHEMAOCTYBE-UHFFFAOYSA-N 298.390 3.683 30 20 CHED CC1(C)CCCC[C@@H]1C/C(O)=N/[C@H]1CCc2c[nH]nc2C1 328641723 DIHDVNJWWNMHGA-KGLIPLIRSA-N 289.423 3.830 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cc2ccccc2o1 190634508 HRHPNFFTTRFJGA-MRXNPFEDSA-N 257.333 3.651 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2ccccc2Cl)nc1 48566519 ZHIDYCSPCJAIRF-OAHLLOKOSA-N 283.762 3.948 30 20 CHED O/C(=N/C12CC3CC(CC(C3)C1)C2)c1ncoc1C1CC1 328733851 HZLTYLDDUCBZAN-UHFFFAOYSA-N 286.375 3.825 30 20 CHED C[C@H](NCCCc1ccccc1)c1ccc(OCC#N)cc1 192934620 UILFJCIBZJGIQM-INIZCTEOSA-N 294.398 3.872 30 20 CHED N#Cc1cc(F)cc(OCc2ccccc2Cl)c1 227632553 CJJRPGAJKOWSHS-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C[C@@H](SCC(=O)c1cccn1C)c1cccc(C#N)c1 190882508 SNKNJXOACMDGQH-GFCCVEGCSA-N 284.384 3.574 30 20 CHED COc1cc(/C=C2/C(=O)c3ccccc3C2(C)C)ccc1O 194581398 FQAIFKSTLFJHEH-GDNBJRDFSA-N 294.350 3.958 30 20 CHED COc1ccc2oc(CNc3cccc(C#N)c3)cc2c1 132875840 DHVHCOBSFOSXBZ-UHFFFAOYSA-N 278.311 3.925 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1c(F)cccc1Cl 81382372 AIMCDDPQIFFQIV-LLVKDONJSA-N 299.773 3.639 30 20 CHED N#Cc1cc(F)cc(OCCCCC(F)(F)F)c1 289542373 FPTFDZXCNGPRNM-UHFFFAOYSA-N 261.218 3.809 30 20 CHED C=CCCCCN[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 380946415 OZQKADSLIHQRSX-SJLPKXTDSA-N 272.436 3.595 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(Br)nc1 290603361 HKSWAZBQVCMZKG-NSHDSACASA-N 283.213 3.851 30 20 CHED CCCC1CCC(N(C)C(=O)c2ccc(C#N)c(C)n2)CC1 192272537 CCGWGCXVPSCTSS-UHFFFAOYSA-N 299.418 3.693 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 511727645 BWTFMCRMIXOQGM-NNUKFRKNSA-N 293.357 3.929 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 335874346 HJBISVRYVCGFHF-UHFFFAOYSA-N 294.232 3.731 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(OC)cc(OC)c1Cl 424872631 COANJNMLSXEPRP-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C=C(C)CSCC(=O)N[C@H](c1ccccc1)C1CC1 193673667 PDWANLDQTJPZER-MRXNPFEDSA-N 275.417 3.563 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(CC#N)c2)C1 334982897 VGNCQGCDXMXYMP-ZIAGYGMSSA-N 285.391 3.795 30 20 CHED CC1(C)CCN(Cc2cc(C#N)ccc2Br)C1 191801180 KCPWBZHSWPELRD-UHFFFAOYSA-N 293.208 3.553 30 20 CHED C=CCCCN1CCC(OCc2ccccc2F)CC1 91865900 NWSBCPNWNCWJHH-UHFFFAOYSA-N 277.383 3.773 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1CCC1 425117708 WZUCHVRPXNEJKL-STQMWFEESA-N 270.376 3.514 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 336583398 LAISBTOMLCJGSW-UHFFFAOYSA-N 296.345 3.903 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@H]2CC2(C)C)c(C#N)s1 91208489 NPKLMYFFTJWKDY-SECBINFHSA-N 276.405 3.902 30 20 CHED CC1(C)CC[C@H](C(O)=Nc2scnc2C2CC2)O1 330129927 KEZYOKATBBUDJS-SECBINFHSA-N 266.366 3.566 30 20 CHED N#Cc1cc(NCc2cccc3cn[nH]c23)ccc1Cl 432421566 PWMLVVPGBJFYFO-UHFFFAOYSA-N 282.734 3.700 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1OC 97992938 AZMNFNUSAHWFNK-WMZJFQQLSA-N 298.338 3.696 30 20 CHED CCC1(CC)CCC(NC(=O)NCC2(CC#N)CC2)CC1 430934952 OJTABRAXMFELSP-UHFFFAOYSA-N 291.439 3.728 30 20 CHED CCN(Cc1cccc(Cl)c1)c1cc(C#N)ccn1 341734258 UIIWQMXVDCIJNH-UHFFFAOYSA-N 271.751 3.633 30 20 CHED Cc1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)ccn1 527532428 FTUWLIKBLIFWHF-UHFFFAOYSA-N 293.414 3.920 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@H]2c2cccc(Cl)c2)n1 343042409 AWEGFPZFQDEKMU-GJZGRUSLSA-N 283.762 3.883 30 20 CHED COCCCOc1cccc(/C=C/c2ccncc2C#N)c1 349102498 AXRZBNFWLCVUMD-VOTSOKGWSA-N 294.354 3.539 30 20 CHED C=CC1CCN(C(=O)NCCC2CCCCC2)CC1 600853978 PQBVWQQQHQGCHH-UHFFFAOYSA-N 264.413 3.564 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1cc(C#N)oc1C 436110138 ZTYSCHSGBWKGLT-GFCCVEGCSA-N 282.343 3.568 30 20 CHED CC(C)COc1ccc([C@@H](C)NCC2(C#N)CC2)cc1 343578105 DCGXEQIPRBWNPF-CQSZACIVSA-N 272.392 3.676 30 20 CHED CCO[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C12CCC2 245937281 UEDZHVLDQHRJTP-FGTMMUONSA-N 298.430 3.969 30 20 CHED N#Cc1ccccc1S[C@H]1CCO[C@H](c2ccncc2)C1 600524453 LPKFMZDNJICMKY-HOTGVXAUSA-N 296.395 3.966 30 20 CHED Cc1ccc(CCC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(C)c1 524195102 SQYHKCBKEYJNLI-DNVCBOLYSA-N 298.430 3.825 30 20 CHED Cc1nc2scc(C)n2c1C=NOCc1ccccc1 254331039 WGIUKCVVYREKSF-UHFFFAOYSA-N 285.372 3.563 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@H]1CCc2ccccc21 432580255 NFOWJUXGGGCTNK-OAHLLOKOSA-N 286.419 3.618 30 20 CHED C=C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 521452937 PGSQJQXWYYNJCV-UHFFFAOYSA-N 284.186 3.715 30 20 CHED Cc1ccnc2[nH]c(SCc3cc(F)ccc3C#N)nc12 347393703 VOBZPWXHGOJHLH-UHFFFAOYSA-N 298.346 3.569 30 20 CHED C[C@@H](OC(=O)/C=C\c1cccs1)c1ccc(C#N)cc1 255087034 RXYNUGNGXINGKV-JLVNDZCYSA-N 283.352 3.937 30 20 CHED C=CCOc1cccc(CNc2cc(F)cc(C#N)c2)c1 600859836 DVTNLPLFZJDKAB-UHFFFAOYSA-N 282.318 3.874 30 20 CHED CC[C@H](c1ccccc1)N(CC)Cc1cccc(C#N)n1 602444480 NTWQZPKRGWCJCD-GOSISDBHSA-N 279.387 3.926 30 20 CHED CC(C)COc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442866515 LWJLRYDTWFGYIT-UKRRQHHQSA-N 258.365 3.826 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 449350324 ULZLYSRVSIBHEB-UPJWGTAASA-N 262.353 3.846 30 20 CHED C=CCN(C(=O)[C@@H](c1ccccc1)[C@@H](C)CC)C1CC1 537172129 AQOKYAFATWVCHU-WMLDXEAASA-N 271.404 3.993 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2cccnc2C#N)C1 357536252 UIGLNUPPDDIXLL-LSDHHAIUSA-N 277.371 3.644 30 20 CHED N#CCCc1cn(Cc2ccc(C3CCCCC3)cc2)nn1 603245596 XILHIQQUSNPLOC-UHFFFAOYSA-N 294.402 3.830 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)s2)[C@@H]2CCCC[C@@H]12 531147416 TYRATAZYZXFMLB-KWCYVHTRSA-N 288.416 3.661 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(C(C)(F)F)cc1 354974402 JLHGVFUZLUYXJD-UHFFFAOYSA-N 294.345 3.858 30 20 CHED COC[C@@H](NCC(C)(C)CCC#N)c1cccc(Cl)c1 353623128 FKUJXZNQEDYSFM-OAHLLOKOSA-N 294.826 3.947 30 20 CHED CC[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 353617635 JDBQOIAVTVOIEB-CYBMUJFWSA-N 270.357 3.501 30 20 CHED N#Cc1ccc(CNc2ncccc2Cl)cc1Cl 619746726 LEHHOCJZKBISKH-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=CCCCC[C@@H](C)NCc1ncc(C(F)(F)F)cn1 449469929 JAMRBOKQMGMWOE-LLVKDONJSA-N 287.329 3.720 30 20 CHED CCN(CC)CCCSc1ccc(C#N)cc1F 356053352 CGZMKMIQVLLKLG-UHFFFAOYSA-N 266.385 3.521 30 20 CHED C=CCCCC[C@@H](C)NCCCn1nc(C)cc1C 449058331 IDBKRIDVCHKNNH-CQSZACIVSA-N 263.429 3.615 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 614133737 PVHWRQNQFMPJTD-WCVJEAGWSA-N 261.409 3.770 30 20 CHED C=C1CCN(C(=O)[C@@H](C)c2cccc(Cl)c2)CC1 266156585 SCBJHZJGUFRADK-LBPRGKRZSA-N 263.768 3.622 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1cccc(C#N)c1 610400251 QVOSXYXWAAFEQG-VWPFQQQWSA-N 299.418 3.743 30 20 CHED C=C(CC)CS[C@H](C)c1ccc(S(C)(=O)=O)cc1 443142086 OFUSCOOLNWICKG-GFCCVEGCSA-N 284.446 3.851 30 20 CHED CN(C(=O)c1ccc(CC#N)cc1)c1ccc2cc[nH]c2c1 352411400 VVSQKRLARDHIKB-UHFFFAOYSA-N 289.338 3.511 30 20 CHED CC(C)(C)CSCC(=O)Nc1ccc(C#N)c(Cl)c1 440581152 DJFKCOSBFLUUBX-UHFFFAOYSA-N 296.823 3.929 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(C)[C@@H]1c1cccnc1 359250424 KVDSUDSGNXRZOS-INIZCTEOSA-N 284.403 3.760 30 20 CHED C=CCC1(CN[C@H]2CCOC3(CCC3)C2)CCCC1 449606010 OVIMGIIEPSTQGA-HNNXBMFYSA-N 263.425 3.814 30 20 CHED C=C(CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 611438247 SQHJSJCLHIXTCX-HNNXBMFYSA-N 262.356 3.922 30 20 CHED C=C1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 264471514 JDFNBGPTLGOHMN-UHFFFAOYSA-N 298.411 3.531 30 20 CHED COCCN(CC#N)Cc1ccccc1-c1ccccc1C 453596445 JNIDNDFUTRLEBU-UHFFFAOYSA-N 294.398 3.634 30 20 CHED CC[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 454683357 QAAYGUGRCYHCCA-HNNXBMFYSA-N 298.430 3.776 30 20 CHED CCCC[C@@H](S[C@H](C#N)Cc1ccccc1)C(=O)OC 619460584 FVLCAAFCYBCTCA-LSDHHAIUSA-N 291.416 3.586 30 20 CHED COc1ccnc2c(NCc3cc(C#N)cs3)cccc12 535764731 NNOMHMYIJXEXNM-UHFFFAOYSA-N 295.367 3.789 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC[C@]2(CCc3ccccc3O2)C1 365601508 KTMFVWHOZNNLBR-HNAYVOBHSA-N 299.414 3.585 30 20 CHED C=C(C)[C@H](CC(=O)NC[C@H](C)c1cccc(C)c1)OCC 533707923 MEISSVLLIQRLIQ-RDJZCZTQSA-N 289.419 3.586 30 20 CHED C=CCN1CC[C@@H](S[C@H](C)c2ccc(Cl)cc2)C1=O 537502847 UKQHTBKLXIHTNT-BXUZGUMPSA-N 295.835 3.921 30 20 CHED C[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1 538508889 KAPWDAFARRLCQX-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 610539397 NUDZXLKURURMPK-CHWSQXEVSA-N 295.342 3.878 30 20 CHED C=CCC1(NC(=O)Cc2nc(CC)cs2)CCCCC1 456372182 TZTNKYQSJLCPCL-UHFFFAOYSA-N 292.448 3.643 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nccc2ccccc12 615879722 BKVYSJMZGPUYKH-UHFFFAOYSA-N 254.333 3.776 30 20 CHED N#Cc1cccc(N2CCCC3(CCCC3)C2)c1[N+](=O)[O-] 450475016 UWLRZKFNNPILFM-UHFFFAOYSA-N 285.347 3.627 30 20 CHED N#CC1CCN(Cc2nc(C3CCCCC3)cs2)CC1 277728242 NVXIAJWDMNCSOI-UHFFFAOYSA-N 289.448 3.926 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(OC)c(Cl)c1 543998921 XRLJBXUKWBXAKA-LBPRGKRZSA-N 296.798 3.503 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 610650340 AOILFRHXVXKBSE-KDOFPFPSSA-N 294.398 3.998 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 458610628 CTNKSJAYNRYGFF-APHBMKBZSA-N 276.424 3.561 30 20 CHED C=C(C)CCNC(=O)CCCCOc1cc(C)ccc1C 452727125 XFUDUXHELOMFJT-UHFFFAOYSA-N 289.419 3.935 30 20 CHED N#Cc1ccc(NCCC[C@@H]2CCOC2)c(C(F)(F)F)c1 450890412 VKQWPHFUJYNRMO-LLVKDONJSA-N 298.308 3.806 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 454329099 TTYGURONKRPJDR-CQSZACIVSA-N 290.407 3.800 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@](C)(CC)C1 549690833 KVHLNWUJNABJMB-PBHICJAKSA-N 290.455 3.994 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(F)c(C2CC2)c1 455380714 GUKPEKRKDVDYGE-UHFFFAOYSA-N 262.328 3.791 30 20 CHED C=CCN(C(=O)N[C@H](C)c1c(C)cccc1C)C1CC1 545499579 DAOMNZBBVVISKN-CQSZACIVSA-N 272.392 3.724 30 20 CHED N#CCCCC(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 360562321 LQUPQJPTGKEPJR-UHFFFAOYSA-N 294.757 3.535 30 20 CHED C=CCOCCCC(=O)N[C@H]1CCCCC12CCCC2 361202799 WCBNLBBDYPNOFP-HNNXBMFYSA-N 279.424 3.588 30 20 CHED CC(C)(NCC1(C#N)CCC1)c1ccc(Cl)cc1 450551172 NBWVRWNEWBVLBG-UHFFFAOYSA-N 262.784 3.859 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCC[C@@H]1CCOC1 453091397 PZBQEDOQTZSBQT-UONOGXRCSA-N 290.432 3.777 30 20 CHED C=C(C)CN(CC)[C@H](C)c1noc(-c2ccccc2)n1 276576132 NYDIULBBABGFAM-CYBMUJFWSA-N 271.364 3.696 30 20 CHED C=CCN(C(=O)c1cnn(-c2ccccc2C)c1)C(C)(C)C 622944294 MKOCVXVJJHPNBZ-UHFFFAOYSA-N 297.402 3.607 30 20 CHED CC(C)COc1cccc(NC(=O)CC(C)(C)C#N)c1 278352723 ZXTZGULOWDHHNQ-UHFFFAOYSA-N 274.364 3.600 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccncc2C)CCCC1(C)C 278027262 BANRJZJHFVPQAR-HNNXBMFYSA-N 287.407 3.989 30 20 CHED CC(C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 540972436 ZKVLVLRIDGWWQE-UWVGGRQHSA-N 297.185 3.515 30 20 CHED Cc1ccc(Nc2nccc(C)c2C#N)cc1OC(F)F 543137667 CMDZIXXQJFAADQ-UHFFFAOYSA-N 289.285 3.915 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccc(C#N)cc1F 1124134301 MFEBVFNVWHWYCO-LBPRGKRZSA-N 276.355 3.644 30 20 CHED CC#CCCCc1nc(C2(c3cccc(F)c3)CC2)no1 624669248 DJZQETCLQQKAPJ-UHFFFAOYSA-N 284.334 3.635 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC(CC)(CC)CC1 466367545 WGHMLVCCKZDTBA-AWEZNQCLSA-N 266.429 3.953 30 20 CHED C[C@@H]1C[C@@H](CCNc2cc(Cl)ccc2C#N)CCO1 541351471 YPWRQZMXAAVBAI-NEPJUHHUSA-N 278.783 3.829 30 20 CHED CCS[C@H](C)c1noc(/C=C/c2ccccc2C#N)n1 273847995 FVKBBEPKDAQHKP-ANYFNZRUSA-N 285.372 3.926 30 20 CHED CC(C)CCC[C@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 461770510 WJNLUGFXKZUUBI-GJZGRUSLSA-N 286.419 3.993 30 20 CHED Cc1ccc(SCc2ccc(CC#N)cc2)nc1 544072748 AUBYZCXOYLMFGK-UHFFFAOYSA-N 254.358 3.748 30 20 CHED N#Cc1nnc2ccccc2c1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 462900739 PNYUYSFQJAPTAS-MELADBBJSA-N 292.386 3.882 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OCC)cc1 466321856 ALPKRPHSDNLBHI-LBPRGKRZSA-N 262.353 3.562 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCCCCC1 460793633 OJKVMMMADYJXBG-UHFFFAOYSA-N 290.455 3.823 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N(C)Cc1cccc(C#N)c1 285349713 HEHRWYFZRNTORG-UHFFFAOYSA-N 296.370 3.855 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 464559623 ISVFHZBUGZYTDB-HRCADAONSA-N 261.409 3.655 30 20 CHED CCc1ccc(CN(C(=O)[C@@](C)(C#N)CC)C2CC2)cc1 288253727 PASQHGAPYJKJAO-GOSISDBHSA-N 284.403 3.680 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](c1ccccc1)N(CC)CC 466533872 KQXSLOHGGQUVQN-DLBZAZTESA-N 288.435 3.540 30 20 CHED C=CCOc1ccc(CNC(C)(C)COCC)cc1Cl 550256165 ACDCSUWHMRKPIZ-UHFFFAOYSA-N 297.826 3.810 30 20 CHED C=C[C@@H](CC(=O)N(C)CCCSC)c1ccccc1 281314786 PODSXISIYJYJOR-AWEZNQCLSA-N 277.433 3.558 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)c1cccc(C(C)C)c1 285112854 ONFIJPOCJLOBPJ-MRXNPFEDSA-N 258.365 3.713 30 20 CHED N#Cc1cc(N2CC=C(c3cccc(Cl)c3)CC2)ccn1 553544278 UBBGQEURRCPOEP-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C=CCn1c(C)nnc1S[C@@H](C)c1ccc(F)c(F)c1 299002648 BHNLKEIFEBAGGU-VIFPVBQESA-N 295.358 3.904 30 20 CHED C=CCCCS(=O)(=O)Nc1c(Cl)cccc1Cl 291896542 PTROPNSMZTZAHS-UHFFFAOYSA-N 294.203 3.701 30 20 CHED C=CCC(C)(C)C(=O)NCc1ncc(-c2ccccc2)o1 555841231 JSIDVPNDQDUMFC-UHFFFAOYSA-N 284.359 3.560 30 20 CHED N#CC1(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 557663131 UFSLGIPCJJKYAF-UHFFFAOYSA-N 286.118 3.617 30 20 CHED CC(C)CCC1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 470252996 ZEVIMSMLWLLCCK-UHFFFAOYSA-N 298.430 3.776 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCCCS2)CCCC1(C)C 470278565 GCMXLROPFNJNPK-KBPBESRZSA-N 281.465 3.865 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(C(C)C)c1 292522791 CSELWZWWSUXNCU-UHFFFAOYSA-N 271.364 3.744 30 20 CHED FCCC[C@H]1CCCC1=NN=c1cc[nH]c2ccccc12 800813337 UXNIXSNXLJTBRG-CYBMUJFWSA-N 285.366 3.974 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1cn(C(C)C)nn1 806572056 URSZDXRVKHSPAB-CMDGGOBGSA-N 294.358 3.545 30 20 CHED CSCCCOc1c(C#N)cnc2ccc(C)cc12 291716968 WFYFWKWBBMIIAS-UHFFFAOYSA-N 272.373 3.547 30 20 CHED N#CC1(CCCOC(=O)C=C2CCCCC2)CCOCC1 800149216 WTYQLVQZKOTLMF-UHFFFAOYSA-N 291.391 3.521 30 20 CHED CCCC[C@H](C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 800409934 RYQRRAUXHCEWJI-STQMWFEESA-N 281.359 3.632 30 20 CHED c1cnc(C2CCC2)c(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)n1 807993990 KBOSBDOKEJRGEO-QPSCCSFWSA-N 296.418 3.968 30 20 CHED C=C(C)[C@@H](CC(=O)NCc1cccc(C(C)C)c1)OCC 475981455 CMEPVUHQBBCHBB-QGZVFWFLSA-N 289.419 3.798 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)C(=O)[C@](C)(C#N)CC 290060142 JIJCTJCQWCDPDY-RDJZCZTQSA-N 288.391 3.545 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cc(C)on2)c1 806555289 BAPXDNGJIDVNET-CMDGGOBGSA-N 255.317 3.832 30 20 CHED C=CCn1c(-c2ccc(C)s2)nnc1N(C)[C@H](C)CC 569038185 ZPMBRHFGKBRZMY-LLVKDONJSA-N 290.436 3.736 30 20 CHED CC(C)CCN1Cc2cccc(NC(=O)CCCC#N)c2C1 291624322 FRLZBNZYRDZICB-UHFFFAOYSA-N 299.418 3.681 30 20 CHED C#C[C@@H](CC)NC(=O)[C@@H](C)c1cccc(CC(C)C)c1 803194098 MYQNHWLKQOCDOH-YOEHRIQHSA-N 271.404 3.517 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2ccccc2OC)C1 293083334 FFEARXUZFNKYSM-CQSZACIVSA-N 287.403 3.613 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)NCC#Cc1ccccc1)C1CC1 472918286 AYYUQGNMOAHRKD-HZPDHXFCSA-N 298.430 3.647 30 20 CHED C#C[C@H](NC(=O)C[C@H](C)c1ccc(F)cc1F)C(C)(C)C 807883255 JTGGLVZJAGFYLJ-NHYWBVRUSA-N 293.357 3.623 30 20 CHED C[C@H](C#N)OCCN(CCc1ccccc1)c1ccccc1 801931708 MWINXGIPTLGGNR-QGZVFWFLSA-N 294.398 3.664 30 20 CHED C#Cc1ccc(CNC[C@H]2SCCc3ccccc32)cc1 809624076 GAARLPVBMVDRGI-LJQANCHMSA-N 293.435 3.788 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cccc(C#N)c1 807990483 DPRRPVKBDZXZHE-UHFFFAOYSA-N 294.314 3.611 30 20 CHED N#CCCCCCC(=O)OCc1cc(F)ccc1Cl 805695447 VZQVVJHRYWYYMZ-UHFFFAOYSA-N 283.730 3.996 30 20 CHED C=C[C@@H](CC(=O)OCCC1(OC)CCC1)c1ccccc1 809052889 KEHHOKBAZZEJCO-HNNXBMFYSA-N 288.387 3.849 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCSc2c(F)cccc21 294553675 WBJIVTIKGUZPNP-GFCCVEGCSA-N 279.380 3.691 30 20 CHED N#CCCCC(=O)N1CC2(CCCC2)c2ccccc21 291062432 BCQQAINCJFWNHA-UHFFFAOYSA-N 268.360 3.539 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCc2ccccc2C1 563217084 LAILIUULSHJWGG-INIZCTEOSA-N 290.366 3.610 30 20 CHED N#Cc1nn(Cc2ccccc2OC(F)F)c2ccccc12 564236687 YCXKLQVQMCXGOC-UHFFFAOYSA-N 299.280 3.558 30 20 CHED CC(C)COc1ccccc1-c1noc(CCCC#N)n1 291061574 JZMFSZRREPQIDU-UHFFFAOYSA-N 285.347 3.618 30 20 CHED C#Cc1ccc(CN(CCC)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 809582136 SPNVDKZFVKABAE-OTWHNJEPSA-N 297.442 3.693 30 20 CHED FC(F)(F)c1ccc(C=NOC/C=C\Cl)cc1 811670054 MOQPRVOITFQQIM-UDDHDNKLSA-N 263.646 3.808 30 20 CHED C[C@H]1CCC[C@H](Cn2nc(C#N)c3ccccc32)C1 484480670 QPUZTGPIFGSAMV-STQMWFEESA-N 253.349 3.734 30 20 CHED CC(=O)Nc1ccc(C)cc1OCc1cccc(F)c1C#N 488227151 GJWJARNASWLCAB-UHFFFAOYSA-N 298.317 3.543 30 20 CHED CCOC1(CN[C@H](C)c2ccc(C#N)cc2F)CCCC1 568656805 ORLNVFZEZOIKFK-CYBMUJFWSA-N 290.382 3.697 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(F)ccc2C)cc1O 811698616 MCXKQWWNIYMPTN-QPJJXVBHSA-N 286.302 3.744 30 20 CHED Cc1cc(CN(C)[C@H]2CCc3ccccc32)ccc1C#N 486804289 UZXBONQIGSWQAC-IBGZPJMESA-N 276.383 3.986 30 20 CHED COC(=O)c1ccc(C=NNc2c(C)cccc2C(C)C)[nH]1 812233538 YZSBATCBCBMCFQ-UHFFFAOYSA-N 299.374 3.679 30 20 CHED CCOc1ccc(NN=C(C)CC2CCOCC2)cc1 814984786 IFIQDOZVLNNFNB-UHFFFAOYSA-N 276.380 3.690 30 20 CHED Cc1cc(Cl)cc(C=NOCC(F)(F)F)c1 814880306 ZIIGJGTUFMZQBQ-UHFFFAOYSA-N 251.635 3.561 30 20 CHED CC[C@H](C)NN=C(C)c1nc(-c2ccccc2)cs1 814913124 HQGXQBPVLZLGGS-NSHDSACASA-N 273.405 3.922 30 20 CHED CC[C@@H](C)CON=CC1(CNC(=O)OC(C)(C)C)CCC1 814938215 HHUHDFPNHRGQQU-CYBMUJFWSA-N 298.427 3.730 30 20 CHED CCOc1ccc(C=NOC/C=C\Cl)cc1OCC 811669925 WNPWTUUXOHIVGV-CASMWYGASA-N 283.755 3.587 30 20 CHED Fc1ccc(NN=Cc2ncc(Cl)s2)c(F)c1 814686558 NOTYGLQDHJEEKG-UHFFFAOYSA-N 273.695 3.521 30 20 CHED C#Cc1cccc(N(C(=O)[C@H](C)C(C)(F)F)C(C)C)c1 815604768 ZYIXGKBXCYOUFG-LBPRGKRZSA-N 279.330 3.701 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 813057551 MNQIKCUIHYFFMD-KFWWJZLASA-N 278.355 3.847 30 20 CHED C=CCC[C@@H](C(=O)OCC[C@@H]1CCOC1)c1ccccc1 816444155 FCRKHOBSJIMCRY-DOTOQJQBSA-N 288.387 3.706 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ccccc1OC(C)C 578291546 LKYXLQWESSBGNX-CYBMUJFWSA-N 275.392 3.863 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 575011409 LPNDYRSZFXWAAG-QSOKESPWSA-N 296.414 3.626 30 20 CHED CCC(=NNc1ccc(F)cc1)c1ccc(F)cn1 814693352 KYSRAZFEABOOEO-UHFFFAOYSA-N 261.275 3.586 30 20 CHED Cc1ccc2ncc(C#N)c(OCC(=O)CCC(C)C)c2c1 488286476 ARCQKMFDFYANLZ-UHFFFAOYSA-N 296.370 3.799 30 20 CHED CCC(CC)N(CCOC)Cc1ccc(Cl)cc1C#N 480785394 GWJNIMGEDLUBQO-UHFFFAOYSA-N 294.826 3.849 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)C[C@@H]1CC 579338904 GJZBHXKRUKMYGH-MJBXVCDLSA-N 276.428 3.602 30 20 CHED N#Cc1ncccc1NCCc1cccc2ccccc12 571459318 XHOSRTJSXXVAHY-UHFFFAOYSA-N 273.339 3.761 30 20 CHED C=CCCCC[C@H](C)NCc1c(C2CC2)cnn1C 658211338 DVHFBBVPBMKTMJ-ZDUSSCGKSA-N 261.413 3.522 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1cc(C)c(C)o1 812242368 PORSDSYLJRMBTE-XQRVVYSFSA-N 274.291 3.940 30 20 CHED C(=NNc1ncnc2ccsc12)c1ccc2[nH]ccc2c1 811645744 WMDYHRFUAWWKSG-UHFFFAOYSA-N 293.355 3.619 30 20 CHED COc1cc(C(C)=NNC2CCCC2)ccc1SC 727651483 ANYBMPUSEIVDRS-UHFFFAOYSA-N 278.421 3.673 30 20 CHED C=C[C@@H](CC)CC(=O)NCC[C@@]1(C)CC1(Cl)Cl 821761452 BZUXSDBYSDBXNZ-JQWIXIFHSA-N 278.223 3.679 30 20 CHED C=CCN(C(=O)Cc1ccccc1C(F)(F)F)C(C)C 729372055 LHMYRZVJCZETNF-UHFFFAOYSA-N 285.309 3.671 30 20 CHED C[C@H](OC(=O)/C=C\c1cccs1)c1cccc(C#N)c1 727640791 UDAPEQUUDGWBIH-KRZKBDHCSA-N 283.352 3.937 30 20 CHED N#Cc1ccc(-c2ccc(OCC3(O)CCC3)cc2)cc1 577352745 QBKXTOPFTUIUHZ-UHFFFAOYSA-N 279.339 3.519 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)Cc1coc2ccccc12 573346697 PBKWEUFDNZRMNN-UHFFFAOYSA-N 298.386 3.764 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(C(F)F)nc1 658029192 HSHUEKNSKICCBO-SNVBAGLBSA-N 254.324 3.882 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)C(CC)CC 490212394 KPWKZZOKPXQDOZ-CQSZACIVSA-N 277.408 3.909 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1SC(F)F)C(C)C 821512938 IWICPJXREBYPNA-JTQLQIEISA-N 298.358 3.781 30 20 CHED CCCN(C(=O)C#CC(C)C)[C@H]1CCc2ccccc21 824516421 URIHLDACBOSCSF-KRWDZBQOSA-N 269.388 3.572 30 20 CHED CC1(C)CCCN(CC[C@H]2CC2(Cl)Cl)[C@H]1C#N 822971865 CQXXAKMIMKXAPT-QWRGUYRKSA-N 275.223 3.584 30 20 CHED CCCCCCCCNC(=O)Nc1c(C)cnn1CC 825160128 NROLCIGYSVNCFH-UHFFFAOYSA-N 280.416 3.693 30 20 CHED CC1(CNC(=O)CCCCCC#N)CCCCC1 588161471 MTAYEXNMPACNKY-UHFFFAOYSA-N 250.386 3.547 30 20 CHED 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CC(=O)[C@@](C#N)(CCN1CCC[C@@H]1C(C)C)c1ccccc1 877996390 RMWLVERFVIEVDP-MOPGFXCFSA-N 298.430 3.547 30 20 CHED CS[C@H](C)CCC(=O)O[C@H](C)c1ccc(C#N)cc1 773790010 ZHAQQPMMDIPWQJ-VXGBXAGGSA-N 277.389 3.694 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cccc(C(=O)O)c2)c1 774117440 VUOQJEVSUVWUCC-CMDGGOBGSA-N 280.323 3.898 30 20 CHED C=CCCc1ccccc1NC(=O)N(CC)OCC 879495274 FBMZZMNVDVYCGS-UHFFFAOYSA-N 262.353 3.611 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(C(C)=O)cc2)CCCC1 876466764 YVUMURLLJKLVND-UHFFFAOYSA-N 285.387 3.989 30 20 CHED O=C(/C=C\c1cc(F)cc(Cl)c1)c1cc(O)cc(O)c1 776719779 AFSOHNBRBHOJJL-UPHRSURJSA-N 292.693 3.786 30 20 CHED COc1ccc2nc(NN=C(C)C(C)C)c(C)cc2c1 777913336 KQECBBYRBYMZSN-UHFFFAOYSA-N 271.364 3.996 30 20 CHED C=C(Cl)CN[C@@H](COC)c1cccc(C(F)(F)F)c1 773005835 UNJDJZCTLKOGKE-LBPRGKRZSA-N 293.716 3.735 30 20 CHED CC[C@H](OC(=O)c1ccc(C)c(C#N)c1)c1ccncc1 1129597175 ZUUSVCOWAJIYNU-INIZCTEOSA-N 280.327 3.570 30 20 CHED C[C@@H](C#N)COC(=O)CCC(=O)c1ccc2ccccc2c1 770932183 XBSQXXZFRYKTLJ-ZDUSSCGKSA-N 295.338 3.506 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1cccc(F)c1F 776260077 WESGZZGZMHHJES-UHFFFAOYSA-N 296.267 3.757 30 20 CHED C=CCSc1ccccc1C(=O)NCc1ccccc1O 777135726 LSANLDYDIRWXMK-UHFFFAOYSA-N 299.395 3.600 30 20 CHED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@@H]2F)cc1 1125441205 JGTRQQGUDLVCQJ-GJZGRUSLSA-N 296.301 3.647 30 20 CHED C[C@@H]1CCc2sc(C(=O)OCCC(C)(C)C#N)cc2C1 776357924 YZHSNIWAKVJHQK-LLVKDONJSA-N 291.416 3.970 30 20 CHED C=C(CC)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 1123683892 ARPVOKFHQLPOAW-ZDUSSCGKSA-N 285.309 3.633 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 880030468 PWIAWDRXOLXBAX-IBGZPJMESA-N 299.414 3.585 30 20 CHED Cc1cc(C)c(NC(=O)c2ncc(C#N)cc2C)c(Cl)c1 1124212036 BNPCBTOOGPPPSU-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCCCc1ccccc1 1121253708 VUCLAAZLYQUZAS-INIZCTEOSA-N 272.392 3.550 30 20 CHED CCCCOc1ccc(C(C)=NOCCOCC)cc1 789050406 GBWKSOLGIUDKAH-UHFFFAOYSA-N 279.380 3.643 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1sccc1C#N 1129424393 LDXUDUZZNQTHQC-YPMHNXCESA-N 276.405 3.566 30 20 CHED C#CCC1(C(=O)Nc2ccc(O)c(C)c2)CCCCC1 788512573 DSXWISIRUPRHSP-UHFFFAOYSA-N 271.360 3.613 30 20 CHED C=CCCCCCOC(=O)CC1CCC(OC)CC1 784401873 QQILBVYMYMFWSF-UHFFFAOYSA-N 268.397 3.871 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)s1 780249739 ISEBFPKVLCXSBR-SNVBAGLBSA-N 286.828 3.673 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccc(CC#N)cc1 784138057 AQHHVKQQGDIKPD-UHFFFAOYSA-N 292.357 3.527 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCC2CCCCC2)cc1 781614493 LZCQOPDGPHZOMI-UHFFFAOYSA-N 288.391 3.966 30 20 CHED CC(=NNc1nccc2sccc12)[C@]1(C)CCCO1 782207528 XZSSNKLUGLAAGG-AWEZNQCLSA-N 275.377 3.653 30 20 CHED C[C@@H]1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1 781615380 RHQWTANYBXQSPV-SCZZXKLOSA-N 297.185 3.783 30 20 CHED CCC1CCN(c2nc(C)c(C#N)cc2Cl)CC1 385262993 WKTHBRDYAAYRGL-UHFFFAOYSA-N 263.772 3.542 30 20 CHED C#CCCCCNC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 782595665 ZUOHKAZNBAFPQA-QZTJIDSGSA-N 298.430 3.501 30 20 CHED CC[C@H](O)c1ccc(OCc2ccc(C#N)c(C)c2)cc1 783023943 IWLGGWPVGQEODE-SFHVURJKSA-N 281.355 3.889 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1Cl 103329863 INNCMOCFMJPQPN-GFCCVEGCSA-N 270.719 3.534 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C(/C)Cc1ccccc1OC 785854873 QESFIXXXJIPLDG-XUZQSEFNSA-N 299.414 3.751 30 20 CHED COc1cc(C)c(C(C)=NNc2ccnc(F)c2)cc1C 783867583 RGRZHFACHIIZRF-UHFFFAOYSA-N 287.338 3.682 30 20 CHED CCCCCCCCCN(C)C(=O)NCC(C)(C)C#N 781955298 NBZAHUVZTLVDPC-UHFFFAOYSA-N 281.444 3.928 30 20 CHED C=C1CCN(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 893395257 MVNFTWCPVROSKJ-HUUCEWRRSA-N 272.392 3.540 30 20 CHED N#Cc1cc(SCCC(F)(F)F)c([N+](=O)[O-])s1 893629571 DDTWPEQANBEWTL-UHFFFAOYSA-N 282.268 3.572 30 20 CHED Cc1cc(N[C@@H](C)CC(C)(C)C#N)ccc1CN(C)C 894866396 VMXRTNTUGIXMTD-AWEZNQCLSA-N 273.424 3.797 30 20 CHED C=CCNC(=S)Nc1cnn(CCC(C)C)c1C(C)C 792698537 JKFMHYBQFYIVOR-UHFFFAOYSA-N 294.468 3.525 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 796140318 FVFPEHBBVPJEBV-SECBINFHSA-N 275.691 3.723 30 20 CHED COc1cc(C)ccc1C(C)=NNc1cccc(Cl)n1 793174582 KYPIXSZTXQVLBG-UHFFFAOYSA-N 289.766 3.888 30 20 CHED C#C[C@H](NC(=O)C(C)(C)c1ccc2ccccc2c1)C(C)C 799045717 PYJDKLKJVXNBHC-SFHVURJKSA-N 293.410 3.891 30 20 CHED Fc1ccc(/C=C\C=NN=c2cc[nH]cc2Cl)cc1F 794919091 OKXUEZSGRFEINR-QHFOAYFMSA-N 293.704 3.546 30 20 CHED C=CCC1(C(=O)OCC(=O)c2cccc(Cl)c2)CCC1 791560538 JNKKHJZYAXQNSI-UHFFFAOYSA-N 292.762 3.812 30 20 CHED C#C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)C(C)C 799045555 JUSKQSYPNWDLOZ-QGZVFWFLSA-N 295.382 3.653 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCc1ccc2ccccc2c1 797023954 WQNWFRICYYTOPP-SFHVURJKSA-N 281.355 3.865 30 20 CHED COCC[C@@H]1CCCC1=NNCc1ccc(Cl)cc1 799881004 KJRRKBDMLKDLPW-ZDUSSCGKSA-N 280.799 3.622 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C(C)C)C(C)(C)O 793557490 NXIYVFKSWCBWQU-GJZGRUSLSA-N 255.446 3.897 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1ccc(C#N)cc1F 796332093 ATJZWMWGJFSJLH-INIZCTEOSA-N 277.339 3.957 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ccc(F)cc1OCC#N 796806925 GMBPNYGUAIXXOU-INIZCTEOSA-N 292.354 3.883 30 20 CHED CC(=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[C@H]1CCCOC1 794541828 ULLBRRLZAUSYJD-KLZNWCGWSA-N 278.440 3.593 30 20 CHED Cc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1C#N 799309540 SEIFYRXEHANFDW-QGTPRVQTSA-N 296.414 3.908 30 20 CHED CCC/C=C/C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570625 ILUIBIKUBPHSJI-AEZGRPFRSA-N 276.405 3.973 30 20 CHED N#CCC1(COc2ccc(OCC(F)(F)F)cc2)CC1 596260687 JWDBZPBBGGNZPG-UHFFFAOYSA-N 285.265 3.700 30 20 CHED C#CCCCCC(=O)Nc1cnn(CCCC)c1C(C)C 791640617 DCELFDLGGGJDCB-UHFFFAOYSA-N 289.423 3.939 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(-n2ccnc2)cc1C 796472715 AIYVXNHRRYZKDH-UHFFFAOYSA-N 298.386 3.826 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C(C)(C)C1CCCCC1 766800919 KPSIZDLEZHZZOY-CYBMUJFWSA-N 264.413 3.601 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@](O)(CC)C1 779336366 QNMMGVHFWOFRLR-INIZCTEOSA-N 269.429 3.501 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@H](COC)Cc1ccccc1 1308621261 GHXUTAVOABUFOL-WMZOPIPTSA-N 288.435 3.506 30 20 CHED Cc1nc(C#N)cc(N[C@H](CC(C)C)c2ccccc2)n1 1161998944 ZQCIDVYYCFANQZ-MRXNPFEDSA-N 280.375 3.856 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)OC1CCCCC1 1319293764 XWWSKZGXQJCAGR-CYBMUJFWSA-N 286.375 3.543 30 20 CHED N#Cc1nc(NC[C@H]2CCC[C@@H]2C2CC2)ccc1Cl 1163501186 OSKWXWOAKFMQQS-VXGBXAGGSA-N 275.783 3.845 30 20 CHED Cc1cc(C(=O)/C=C/c2cccnc2N(C)C)cc(C)c1F 1328933755 BFIRMKDYWUGIHV-BQYQJAHWSA-N 298.361 3.800 30 20 CHED C=C[C@@H](COC)N[C@@H](CC)c1ccc(OC(F)F)cc1 1320592981 VPOPMVHFJKPBNB-JSGCOSHPSA-N 285.334 3.530 30 20 CHED N#CCOc1ccc(NCc2cccc3c2CCC3)cc1 1328694792 VYQJGBHGIUIHIQ-UHFFFAOYSA-N 278.355 3.690 30 20 CHED CC(C)(C)CCCc1nnc(-c2cccc(C#N)c2)o1 1322585071 JDQGGWMUWZFNGN-UHFFFAOYSA-N 269.348 3.977 30 20 CHED C[C@@H]1CCCC[C@@H]1[C@@H](C)NCc1cccc(OCC#N)c1 1324601521 KLQVZKQGDNVNAL-RKVPGOIHSA-N 286.419 3.893 30 20 CHED Cc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)cc1C 1256531120 KIFKIYVXDULURE-UHFFFAOYSA-N 275.311 3.892 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)nc1Cl 1338399766 NKFAWRCALRLGFK-ZDUSSCGKSA-N 252.745 3.584 30 20 CHED C[C@H]1CCCC[C@H]1c1nnc(-c2cccc(C#N)c2)o1 1349987323 VLPQCSQBQKHAEY-SMDDNHRTSA-N 267.332 3.902 30 20 CHED C=C1CCN(C(=O)Nc2cccc(SCC)c2)CC1 1262259014 YTIRYZBSGKQNRW-UHFFFAOYSA-N 276.405 3.983 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 1346895186 KRUXKUXFCXOILQ-UONOGXRCSA-N 293.432 3.519 30 20 CHED C=C[C@H](COC)N[C@H](c1cccc(OC(C)C)c1)C(F)F 1261553974 PPDYJABOVRKGMF-UKRRQHHQSA-N 299.361 3.571 30 20 CHED Cc1ccc(N(C)C(=O)CC#Cc2ccccc2)cc1C 1340364737 WWNIQVZELULORS-UHFFFAOYSA-N 277.367 3.708 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H]3CC[C@H](C#N)C3)coc2c1 1344016532 GVDQIDZVMQDHCA-GXTWGEPZSA-N 283.327 3.519 30 20 CHED C=C(C)CCC(=O)N(CC(F)F)c1ccccc1 1517768876 FEBYUHPQMPAAQO-UHFFFAOYSA-N 253.292 3.641 30 20 CHED CC[C@@H](C[C@H](C)CC)NCc1ccc(OC)c(C#N)c1 1474684683 ODIYVCMYHANMHT-CJNGLKHVSA-N 274.408 3.871 30 20 CHED CCc1ccc2c(c1)[C@H](Nc1cc(C)c(C#N)cn1)CCO2 1472754599 TVHUYLVNIXLCPD-MRXNPFEDSA-N 293.370 3.760 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1cc(C#N)ccc1C 1540017030 VCOCHGPGSZBLDX-UHFFFAOYSA-N 282.318 3.821 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)CC1(C#N)CC1 259020603 YLNGIFUVRBWPMQ-UHFFFAOYSA-N 269.175 3.729 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2ccccc2CC#N)C1 1630021760 ILGIXMLIRCGLMZ-AWEZNQCLSA-N 284.403 3.699 30 20 CHED CC[C@H]1CCCC[C@@H]1NCCc1ccc(C#N)cc1 1642808494 PTNLMIPYRMKTOA-IRXDYDNUSA-N 256.393 3.659 30 20 CHED Cc1cc(CNCC[C@@H]2CNc3ccccc32)ccc1C#N 1579601258 LJEICAFBXIPBHN-QGZVFWFLSA-N 291.398 3.556 30 20 CHED CCc1cc(Sc2cccc(C#N)c2)nc(CC)n1 1651608488 YIZVVJIZJBLNOE-UHFFFAOYSA-N 269.373 3.624 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1c1cccc(C#N)n1 1652255819 ZGLHEYOMEDPZDU-PBHICJAKSA-N 277.371 3.726 30 20 CHED N#Cc1ccsc1C(=O)Nc1cscc1Cl 1583715190 AHXVSXPCXCVAGY-UHFFFAOYSA-N 268.750 3.587 30 20 CHED Cc1ccc(CN(C)c2cccc(F)c2C#N)cc1C 1651942672 NTUGKOGBMDTLJB-UHFFFAOYSA-N 268.335 3.951 30 20 CHED C=CCC[C@H](NCc1ccccc1CC(=O)O)c1ccco1 1588778805 MOICBOMJWDKQHB-INIZCTEOSA-N 299.370 3.704 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCc1ccc(C)c(Cl)c1 1585343287 XIKZWYVAYMSVDA-CQSZACIVSA-N 292.810 3.732 30 20 CHED CCC(=NNc1ccc(CC(=O)O)cc1)c1cccs1 1594693949 IYQCUBOBMBNABV-UHFFFAOYSA-N 288.372 3.601 30 20 CHED CC(C)=CCNc1ccc(Br)cc1C#N 232638789 STFATAYMGAKIQI-UHFFFAOYSA-N 265.154 3.699 30 20 CHED CCCCCCC[C@H](C)CN=c1cc[nH]cc1C(=O)O 1776782432 ZFKGFKUNNFBSFY-ZDUSSCGKSA-N 278.396 3.610 30 20 CHED C=C(C)CCCN1C[C@@H](C(=O)O)C[C@H](c2ccccc2)C1 1776138661 VIEYPFAEJFEARH-IRXDYDNUSA-N 287.403 3.533 30 20 CHED C[C@H]1CCCCCC1=NNc1ccc(C(=O)O)cc1 1776012279 MXACKSINIWVCEM-NSHDSACASA-N 260.337 3.753 30 20 CHED C=CCc1ccccc1CNCCCCCCC(=O)O 1776188773 OQASEPOQHWQJEJ-UHFFFAOYSA-N 275.392 3.540 30 20 CHED C=CCCCCCN1CCC[C@@]2(C(=O)O)CCCC[C@H]12 1776174383 CQVHGFIXTHHFCM-RDJZCZTQSA-N 279.424 3.842 30 20 CHED N#Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)cc1 11235085 LWJYQGXDSLPBJY-OAHLLOKOSA-N 282.368 3.501 30 20 CHED C=CCNc1nnc(SCc2cccc(F)c2F)s1 16668325 MCLMADJGRWGILP-UHFFFAOYSA-N 299.371 3.707 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@H]2c2ccccc2C)n1 161541868 HVWOOAHVWMOXJX-JKSUJKDBSA-N 263.344 3.538 30 20 CHED CC(C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)=C1CCCC1 161889972 RGJLYRCDQKNSAL-CYBMUJFWSA-N 279.343 3.630 30 20 CHED C=CCC[C@H](NCC1=CCCOC1)c1ccccc1 158828106 BIKGPXGXLXSCRW-KRWDZBQOSA-N 257.377 3.630 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1nccn1CCc1ccccc1 164267296 HVXWPRLVNZBYNC-IRXDYDNUSA-N 297.446 3.816 30 20 CHED C#CCCCCNC(=O)N[C@@H]1CC(C)(C)c2ccccc21 151567928 MEHFMPVHTIVWKZ-MRXNPFEDSA-N 284.403 3.512 30 20 CHED C=C(C)CNC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 152989478 PFWNXMNQEZDLAI-CYBMUJFWSA-N 285.309 3.891 30 20 CHED CC(C)c1cccc(N(C)C[C@@H](O)c2ccc(C#N)cc2)c1 155699730 WPJMKVZOWVEORG-LJQANCHMSA-N 294.398 3.851 30 20 CHED Cc1ncccc1/C=C/C(=O)c1cc(Cl)ccc1O 156678147 YWUCJMKDCVTPFP-GQCTYLIASA-N 273.719 3.645 30 20 CHED CC(C)[C@H](C)N(Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 156979515 CMGOWEYYZGXMIQ-GJZGRUSLSA-N 286.419 3.986 30 20 CHED C=C(Cl)COC(=O)CCSc1ccc(F)cc1 916609572 YDTPOBMRIOEEAG-UHFFFAOYSA-N 274.744 3.604 30 20 CHED C[C@H](CNc1nccc(C#N)c1Cl)c1ccccc1 235495279 JGGYEXWBKPIJPG-LLVKDONJSA-N 271.751 3.822 30 20 CHED N#Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1Cl 44385473 WDTVDCSQDQDIOX-UHFFFAOYSA-N 287.750 3.624 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1cc(C#N)ccc1F 53906507 JPDBMZYGCGMDQE-CYBMUJFWSA-N 268.335 3.890 30 20 CHED C[C@H]1CCc2sc(C(=O)NCC(C)(C)CC#N)cc2C1 457994715 YKTMBUSVSUYTGQ-NSHDSACASA-N 290.432 3.543 30 20 CHED C=C[C@@H](Sc1ccc(Cl)c(Cl)c1)C(=O)OC 300963144 GLRHPNSPKIRTFF-SNVBAGLBSA-N 277.172 3.813 30 20 CHED Cc1cc(C#N)cc(NCc2cccc(O)c2Cl)c1 308114261 UUGNHSRDWHMFEB-UHFFFAOYSA-N 272.735 3.838 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccccc2Br)C1 308857071 UEDFZIKSFFAHHP-NXEZZACHSA-N 265.154 3.553 30 20 CHED COc1cc(F)cc(CNc2cccc(CC#N)c2)c1 313457150 ZAQVKFSFMIHWLD-UHFFFAOYSA-N 270.307 3.512 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 617784498 TVFSGAUPNLVVBX-CYBMUJFWSA-N 268.360 3.596 30 20 CHED C=CCC[C@@H](C)NCc1cc(Cl)c2c(c1)OCCCO2 541772542 FZESYIIHTGQOQK-GFCCVEGCSA-N 295.810 3.946 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2C2CCCCC2)c1 552951861 HXAOJOWEFCKAFV-HNNXBMFYSA-N 255.365 3.502 30 20 CHED C=CC(C)(C)CN[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 449487114 WUVOCJNJRVYJNJ-WMZOPIPTSA-N 286.463 3.841 30 20 CHED C[C@@H](N[C@@H]1CCC12CCCC2)c1ccc(C#N)cc1 474061077 SRUBWYLMFACKAR-CZUORRHYSA-N 254.377 3.932 30 20 CHED CNc1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 712142405 DSDYOZIJQCJMNH-UHFFFAOYSA-N 285.734 3.506 30 20 CHED C[C@@H](CC(=O)Oc1ccc(C#N)cc1)c1ccccc1 5576754 AVIFEQMTGPTHCZ-ZDUSSCGKSA-N 265.312 3.657 30 20 CHED N#CCOC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 11372586 UUCYXSXWMINKQN-SOFGYWHQSA-N 287.315 3.634 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 25535626 DYPLIGJKKOWYPE-KRWDZBQOSA-N 294.329 3.675 30 20 CHED Cc1cc(C)cc(NC(=O)N(C)Cc2cccc(C#N)c2)c1 43274685 QWFNABASWHHHHR-UHFFFAOYSA-N 293.370 3.839 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2C2CCCC2)c1 44352398 GCDLZEXHVDTSGO-QGZVFWFLSA-N 254.377 3.713 30 20 CHED C=CCN(Cc1cccs1)C(=O)CSC(F)(F)F 48100371 TZZMNYHCZZGHKQ-UHFFFAOYSA-N 295.351 3.516 30 20 CHED CN(Cc1cccc(Cl)c1)c1ccc(C#N)cc1F 48877918 BBKUGWWRDCBEKO-UHFFFAOYSA-N 274.726 3.987 30 20 CHED Cc1ccccc1CCC(=O)N[C@@H](C#N)C1CCCCC1 51967838 XWQIRUYAGPBIPK-KRWDZBQOSA-N 284.403 3.516 30 20 CHED N#Cc1cccc(NC(=O)N[C@H](c2ccccc2)C2CC2)c1 54023903 QFZXVFFZXLJNAE-QGZVFWFLSA-N 291.354 3.831 30 20 CHED CCOc1ccc(O)c(/C=N/CCCOC2CCCC2)c1 57752499 XMEGIKOZZLOLEP-QGOAFFKASA-N 291.391 3.559 30 20 CHED CSCc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 63325424 BWQVGQFNCDDYLP-UHFFFAOYSA-N 296.395 3.698 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1 64363406 MFCRFTVJWUAMEI-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccsc1 75299314 NZPYHNORLZUCKD-CVEARBPZSA-N 296.395 3.660 30 20 CHED C=C(Cl)C[S@](=O)Cc1c(C)cc(C)c(C(C)=O)c1C 75472283 BGTXDKKBQSLLPU-LJQANCHMSA-N 298.835 3.816 30 20 CHED CC(C)c1ccc(-n2ccnc2S[C@H](C)C#N)cc1 78342720 UBUSESCPFMGWOE-GFCCVEGCSA-N 271.389 4.000 30 20 CHED C[C@H]1CC(NCc2ccc(C#N)cc2F)C[C@H](C)C1 84975399 XUILVQOFPHTPSZ-VXGBXAGGSA-N 260.356 3.612 30 20 CHED COc1ccc2cc(CN(CCC#N)CC3CC3)ccc2c1 93091286 FICWQCHISICINV-UHFFFAOYSA-N 294.398 3.974 30 20 CHED Cn1cc(/C=C2/Cc3ccc(F)cc3C2=O)c(C(C)(C)C)n1 93902035 ZRHQFJYLBNHJPT-WQLSENKSSA-N 298.361 3.679 30 20 CHED N#CCCCN(CCc1ccccn1)Cc1ccc(F)cc1 103142570 BLVZALLDFPKLCH-UHFFFAOYSA-N 297.377 3.569 30 20 CHED CCCCCOc1ccc(C(=O)N(CC)CCC#N)cc1 103208265 LQLPUXDWICHFEN-UHFFFAOYSA-N 288.391 3.631 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[S@@](=O)CCCCC#N 108118593 KGNRTAVIORFWSU-APPDUMDISA-N 269.797 3.844 30 20 CHED C[C@H](CSc1ccccc1)C(=O)Oc1ccc(C#N)cc1 110156579 PFEOWANIAAQIRO-CYBMUJFWSA-N 297.379 3.892 30 20 CHED O=C1/C(=C/c2ccccc2F)Cc2cc(F)ccc21 114992210 KBVPDJRKPRBHCQ-KPKJPENVSA-N 256.251 3.787 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCSc2ccccc21 119499324 VWSRRSLVCPLLQD-CQSZACIVSA-N 273.401 3.533 30 20 CHED CCOc1cccc(/C=N/[C@@H]2COc3ccc(C)cc32)c1O 121543372 OKUDHESHGDBGDS-GDXCHIGESA-N 297.354 3.652 30 20 CHED CCCC(C#N)(CCC)NC(=O)CO[C@@H]1CCC[C@@H](C)C1 121722377 XQZFDACHKRZFDM-HUUCEWRRSA-N 294.439 3.560 30 20 CHED C[C@H](C#N)Oc1ccccc1NCCc1ccccc1F 123896663 BTSAIBZPKKRRLQ-CYBMUJFWSA-N 284.334 3.771 30 20 CHED CC(C)c1ncc(/C=C2/Oc3cc(O)ccc3C2=O)s1 125299488 TVIONHWNPKVXSO-AWNIVKPZSA-N 287.340 3.588 30 20 CHED CCN(C(=O)c1cc(C)c(C)o1)[C@H](C)c1ccc(C#N)cc1 127687511 OLPBPPRLEYMBKB-CYBMUJFWSA-N 296.370 3.991 30 20 CHED N#Cc1cc(Br)ccc1N1Cc2ccccc2C1 130447957 RIDWKEDUWCKMMK-UHFFFAOYSA-N 299.171 3.841 30 20 CHED N#CCC[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 130567539 UTQVDCCITCIACU-SFHVURJKSA-N 292.382 3.756 30 20 CHED C=C(Br)CNC(=O)CC[C@@H](C)c1ccccc1 130606068 VCJUPNPFKPKIAT-LLVKDONJSA-N 296.208 3.595 30 20 CHED Cc1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1C 132795950 UOPHUKWGMPBDSP-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CCCCCCC[S@@](=O)Cc1cccc(NC(C)=O)c1 133184681 XRMUYJSFMUBSQC-FQEVSTJZSA-N 295.448 3.864 30 20 CHED C=C(Cl)CNCc1ccc(Cl)cc1Cl 135830076 HLFCBLDWFZWECW-UHFFFAOYSA-N 250.556 3.836 30 20 CHED CC#CCNC(=O)N(C)Cc1ccccc1-c1ccccc1 135977419 IEMTVBFHBUMJHC-UHFFFAOYSA-N 292.382 3.518 30 20 CHED CCC1CCC(CNC(=O)CCc2ccc(C#N)cc2)CC1 149673068 GZKDMBSUZOCBDV-UHFFFAOYSA-N 298.430 3.823 30 20 CHED CCC(C)(C)c1ccc(CNC(=O)C2(C#N)CCC2)cc1 151812589 AJQIZMRFTHUJBD-UHFFFAOYSA-N 284.403 3.684 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cc(F)ccc2F)CC1 152951104 HIWNLWMEEQPCKE-CYBMUJFWSA-N 294.389 3.656 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(F)cc(Cl)c1 153137246 QGKYJDIQAGFLLO-UHFFFAOYSA-N 268.719 3.685 30 20 CHED CCN(Cc1ccccc1)C(=O)c1ccc(C#N)c(Cl)c1 153550412 ZKCCXHLIHFHCRE-UHFFFAOYSA-N 298.773 3.874 30 20 CHED CC(C)(C#N)CCCNc1ccc(O[C@@H]2CCOC2)cc1 154092348 FPAVBXDZVNEHHF-MRXNPFEDSA-N 288.391 3.596 30 20 CHED C=CCOc1ccc(C(=O)Nc2cscc2C)cc1 154398818 KFPGUIVECDROBW-UHFFFAOYSA-N 273.357 3.874 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1c1cccc(C)c1 155062319 UYSDRLPQJMZBNK-QGZVFWFLSA-N 284.403 3.645 30 20 CHED CC(C)(CNCc1cccc(C#N)c1)c1ccccc1F 155511054 KWFDMVOAPQUXHT-UHFFFAOYSA-N 282.362 3.765 30 20 CHED Cc1cccc([C@@H]2CCCN2CC#Cc2ccc(F)cc2)n1 157175242 SHJKXOUJFGVGTK-IBGZPJMESA-N 294.373 3.718 30 20 CHED Cc1cccc([C@H](C)NCc2ccc(C#N)cc2F)c1 157312741 IHMYIHXLCFUHKL-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C#CCCCCNCc1ccc(F)cc1C(F)(F)F 157566639 SBRSBDBBYALBBM-UHFFFAOYSA-N 273.273 3.738 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2C=CCCC2)cc1 158032128 AVLQMEVPJGUJII-CQSZACIVSA-N 283.375 3.718 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(C)c(C)o2)c1 159977852 UDEDQOKYOQBVGG-UHFFFAOYSA-N 267.328 3.544 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NCC(C)(C)C#N 169279736 RXNRQNSWUIVZTR-CQSZACIVSA-N 258.409 3.882 30 20 CHED N#CCCCC[S@](=O)Cc1csc(C2CCCC2)n1 172833911 GRIWWJQKHMAWJG-IBGZPJMESA-N 296.461 3.743 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(C#N)c2)C1 174441989 PFCIQWVMMCQQJJ-QWHCGFSZSA-N 271.364 3.601 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc(C#N)cc1)C1CC1 175265514 RVFVSYCSYZLONT-KGLIPLIRSA-N 299.418 3.667 30 20 CHED C=CCCCC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 175685996 YOAXONBCAIZOSI-ZBFHGGJFSA-N 257.377 3.747 30 20 CHED CC1(C)CCC/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 177021535 LBAZCPKLEMNWHZ-FMIVXFBMSA-N 259.305 3.757 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1CCCSCC#N 177545292 MEGILSCARAJWOB-GDBMZVCRSA-N 274.433 3.511 30 20 CHED O=C(CCC(F)(F)F)OCC#Cc1ccc(Cl)cc1 177892521 HATQUIJWIWUJSP-UHFFFAOYSA-N 290.668 3.577 30 20 CHED COc1ccc(OC(C)C)c(NCc2cccc(C#N)c2)c1 178383237 HEYMUZBPOXFMQB-UHFFFAOYSA-N 296.370 3.966 30 20 CHED CCn1c(C)cc(C(=O)Nc2cccc(C#N)c2C)c1C 178629371 HQPUZJXBLYPACL-UHFFFAOYSA-N 281.359 3.557 30 20 CHED N#Cc1cccc(COc2c(F)cccc2Cl)c1 179425388 JYRJBPYURXRWSA-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C#CCCCCc1nc(Cc2ccccc2Cl)no1 179624444 TYQFAHTYIJGOHN-UHFFFAOYSA-N 274.751 3.660 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C(C)C)cc2)cnn1C 179847762 GTKCBJAXFJKVFM-JXMROGBWSA-N 268.360 3.748 30 20 CHED C=CCC[C@H](O)CN[C@@H](CCC=C)c1ccccc1 180046638 DFCCWCYGSPJDTK-IRXDYDNUSA-N 259.393 3.611 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)CCCc1ccccc1 180148281 BYKKOYNLJQWHQZ-YJBOKZPZSA-N 286.419 3.700 30 20 CHED CC[C@H](CC#N)NC(=O)Cc1ccc(-c2ccccc2)cc1 183830745 DNXBCCFNRYSVJS-GOSISDBHSA-N 292.382 3.705 30 20 CHED COc1ccc(C(=O)OCC2(C#N)CCC2)c2ccccc12 183868646 IVNMSPWOTHQOPX-UHFFFAOYSA-N 295.338 3.699 30 20 CHED Cc1[nH]c2c(C(=O)OCC(C)(C)CC#N)cccc2c1C 184797913 VYAVXMFIQHXVRX-UHFFFAOYSA-N 284.359 3.881 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1cccc(C)c1C 185583410 DEIBIDMRQKCMSD-CQSZACIVSA-N 257.377 3.530 30 20 CHED CC[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 185754166 QWZVGFDQEBAKDH-UXLLHSPISA-N 256.393 3.852 30 20 CHED CC(C)Oc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1C#N 185894042 DFVHHIJPHANVIB-UKRRQHHQSA-N 283.375 3.840 30 20 CHED C=CCN1CCC(N[C@@H](CCC)c2ccsc2)CC1 187705629 KLFASDOIFAXKKA-INIZCTEOSA-N 278.465 3.829 30 20 CHED CC[C@@H](CC#N)OC(=O)Cc1coc2cc(C)c(C)cc12 187972530 IBJLGWLFNQKRSZ-AWEZNQCLSA-N 285.343 3.828 30 20 CHED CC[C@H](Sc1cccc(C#N)c1)C(=O)OC(C)(C)C 188066043 HSRNFVMIVNVIST-ZDUSSCGKSA-N 277.389 3.771 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 188550641 JUBSYMSZJJLYPE-KBXCAEBGSA-N 289.419 3.592 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 188628083 GDNOJSKCNGVXHF-XUXIUFHCSA-N 293.373 3.660 30 20 CHED C#CCCCC(=O)N(Cc1ccc(F)cc1)C(C)(C)C 190720565 ZFOIUCTWEDYZFM-UHFFFAOYSA-N 275.367 3.756 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CN(CCC#N)Cc1ccccn1 191065527 IZCNJOMGAMRMRI-AEFFLSMTSA-N 283.419 3.790 30 20 CHED Cc1ccccc1[C@H]1CCCN1Cc1cc(C#N)n(C)c1 191230434 LWZQHBATUGGPAX-GOSISDBHSA-N 279.387 3.542 30 20 CHED CC#CCCCC(=O)Nc1ccc(SC)cc1OC 192713713 XKGAJBCFSJXPEB-UHFFFAOYSA-N 277.389 3.549 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(C#N)CCCCC1 193042089 LVHGOLZQKSKCKK-UHFFFAOYSA-N 288.416 3.737 30 20 CHED CC(C)(C#N)C(=O)N1CC(C)(C)c2c(Cl)cccc21 194929449 YCASBGALTSMRBG-UHFFFAOYSA-N 276.767 3.514 30 20 CHED CCc1ccc(C(=O)/C=C/c2c(C)noc2C)s1 195407203 WCBUAFGUBKEBFK-VOTSOKGWSA-N 261.346 3.811 30 20 CHED CCCC(CCC)C(=O)N(C)c1ccc(C#N)cc1 211898819 ADZLSUFUAADJRD-UHFFFAOYSA-N 258.365 3.737 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1 218717911 GROLWZCABMIXQG-UHFFFAOYSA-N 288.753 3.983 30 20 CHED CCCN(CC1CC1)c1ccc(C#N)c(Br)c1 228180200 ILPYQEBAIBFCQG-UHFFFAOYSA-N 293.208 3.947 30 20 CHED CSCCCCCCNc1ccc(C#N)c([N+](=O)[O-])c1 235031611 AWGLAVHRSNJLOY-UHFFFAOYSA-N 293.392 3.802 30 20 CHED Oc1ccccc1C=Nc1ccc(OC[C@@H]2CCCO2)cc1 255109512 UIEZUSIPJWGGFY-KRWDZBQOSA-N 297.354 3.701 30 20 CHED C=CCn1c(SC/C=C\Cl)nnc1-c1ccccc1 255190934 IBYMIBSVKBSQDX-TWGQIWQCSA-N 291.807 3.976 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1 255299307 FOZGWCHYKKUZCF-VURMDHGXSA-N 257.720 3.940 30 20 CHED CCOc1ccc(O)c(/C=N\CC(C)(C)c2ccncc2)c1 255378274 GJJAMPWUHDAQOC-NDENLUEZSA-N 298.386 3.583 30 20 CHED N#Cc1csc(/C=C\C(=O)c2cccc(F)c2)c1 255552276 JRUIUNACKXGCFZ-PLNGDYQASA-N 257.289 3.655 30 20 CHED N#Cc1ccc2c(Br)cc(F)cc2c1 261507180 GHJQXYQMBRMSEK-UHFFFAOYSA-N 250.070 3.613 30 20 CHED Cc1cccc(-c2cccc(CNC(=O)C(C)(C)C#N)c2)c1 263827614 QFSKMWZZKZXHPN-UHFFFAOYSA-N 292.382 3.828 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C/c1ccsc1 264341469 NVEBNYAYPJMAON-AATRIKPKSA-N 276.405 3.740 30 20 CHED C[C@@H](C(=O)N(CCC#N)CC1CC1)c1cccc(Cl)c1 266150469 QSSXDHLZEGKTMG-GFCCVEGCSA-N 290.794 3.596 30 20 CHED C=CCCCC(=O)NCc1coc(-c2ccc(C)cc2)n1 267282167 XWUHRHDJPHDHCP-UHFFFAOYSA-N 284.359 3.623 30 20 CHED C=C1CCN(C(=O)c2cccc(-c3ccccn3)c2C)CC1 270069207 SQYOADILSROQMZ-UHFFFAOYSA-N 292.382 3.849 30 20 CHED CO[C@@H](c1ccccc1F)[C@H](C)NCc1ccc(C#N)cc1 272078511 QRMFTOVUKJFSLQ-SCLBCKFNSA-N 298.361 3.563 30 20 CHED CC(C)(C#N)c1ccccc1CN[C@@]1(C)CCO[C@H]1C1CC1 273035879 HILSSMFUGQDIEQ-HKUYNNGSSA-N 298.430 3.535 30 20 CHED N#CC1(CCCOc2ccc(F)cc2Cl)CCOCC1 281276029 IIVVFSRVAGFPHG-UHFFFAOYSA-N 297.757 3.958 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1cc(Cl)c(Cl)cc1F 281345390 NETAMQSMFBAJDO-LURJTMIESA-N 290.125 3.556 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc(SC)cc1)C1CC1 282236661 NUQGMARRWFKFCV-GFCCVEGCSA-N 290.432 3.830 30 20 CHED CCc1[nH]ccc1C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 285002171 CKXXEYHWSCMWSM-ZDUSSCGKSA-N 295.386 3.672 30 20 CHED C=C(C)CCc1noc(-c2cc(C(C)(C)C)on2)n1 285250991 XBBCQRNJVHNECV-UHFFFAOYSA-N 261.325 3.531 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C(C)(C)C)ccc1O 285694903 HFKJSMZHFATUSW-MRXNPFEDSA-N 274.364 3.568 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)CSc1ccc(C)cc1 286098497 OMFAQHQMFNENDA-BBRMVZONSA-N 290.432 3.532 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCCc2cccnc21 286880987 DGACXCCMGJOACF-MRXNPFEDSA-N 286.419 3.754 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@@H](C)c2cccs2)no1 289166082 UVJXPFTXNFDMQZ-XHDPSFHLSA-N 292.404 3.763 30 20 CHED CC[C@@H](C#N)N[C@H](Cc1ccccc1)c1ccc(OC)cc1 290461648 FOHFWXSOEKHCLR-PKOBYXMFSA-N 294.398 3.871 30 20 CHED CC(C)(C)[C@H](NC(=O)CCCC#N)c1cccc(F)c1 291969096 SLKAQODKQZTKKV-OAHLLOKOSA-N 276.355 3.723 30 20 CHED CC(C)(C)N(Cc1ccc(F)cc1)C(=O)CCCC#N 292433652 UWJFCFKTYYPTPM-UHFFFAOYSA-N 276.355 3.647 30 20 CHED CC1(C)CCCN(C(=O)c2cc(F)ccc2Cl)[C@@H]1C#N 295390474 PUIYDOZPHXPHNF-CYBMUJFWSA-N 294.757 3.633 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc2oc(C)c(C)c2c1 296553686 BYAVQKNWEZREDS-UHFFFAOYSA-N 297.358 3.983 30 20 CHED CCC[C@H](OC)C(=O)Nc1cc(C(C)(C)C)sc1C#N 297588527 CHMNVLMFQBVKNI-NSHDSACASA-N 294.420 3.671 30 20 CHED C=CC(C)(C)C(=O)N1C[C@H]2CCCCN2c2ccccc21 297673357 GCWMMCGXFTZBJM-CQSZACIVSA-N 284.403 3.604 30 20 CHED C=C(C)CN1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 301228021 CYEHILOMWGFQSU-UHFFFAOYSA-N 289.810 3.664 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(c2ncccc2C#N)C2CC2)o1 301230296 AIIRWMQKYWFROW-WBMJQRKESA-N 293.370 3.839 30 20 CHED C=C(C)CN1CCC(Nc2ccnc3cc(F)ccc23)CC1 301248540 INSTUBUHERRSNB-UHFFFAOYSA-N 299.393 3.826 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H]1Cc2ccccc2O1 301376563 ROMRINPJGIQEHH-CYBMUJFWSA-N 284.746 3.627 30 20 CHED N#Cc1nc(Oc2ccc3ccc(=O)oc3c2)ccc1Cl 301551639 RACFHOYLEJMVNP-UHFFFAOYSA-N 298.685 3.505 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)nc1 301566022 JPDSHSFTPYXTCY-UHFFFAOYSA-N 291.276 3.608 30 20 CHED Cc1ccc(CNc2cc(C#N)ccc2[N+](=O)[O-])c(C)c1 302188633 AIVJHKNPBWDBOE-UHFFFAOYSA-N 281.315 3.695 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2)c2c(c1)C[C@@H](C)O2 303197565 NMYVGGUSUJWGMN-MMQHEFTJSA-N 294.350 3.915 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(C#N)c(F)c1 308088584 NLXIROPKJVMSPM-LLVKDONJSA-N 262.328 3.708 30 20 CHED C=CCCCCNC(=O)Nc1cc(Cl)cc(C(=O)O)c1 312862740 ZWMWKDAKKPODJY-UHFFFAOYSA-N 296.754 3.516 30 20 CHED CCN(CC)c1ccc(N[C@@H](C)c2cccc(C#N)c2)cn1 315399617 HLLHHQGSDSLMRW-AWEZNQCLSA-N 294.402 3.973 30 20 CHED CC(C)(C)c1ccc(N=C(O)[C@@H]2C[C@]23CCOC3)c(O)c1 328641770 DKJHZUSNKJKSMV-SJCJKPOMSA-N 289.375 3.704 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2nccc3sccc23)CCC1=O 329612894 OPNIETSYSSOOHI-ZJUUUORDSA-N 288.372 3.890 30 20 CHED Cc1cc(/C(O)=N/C2(c3ccccc3)CCCCC2)cnn1 329874465 FSOXMOZNRRCJOQ-UHFFFAOYSA-N 295.386 3.949 30 20 CHED OC(C[C@@H]1CCOC1)=Nc1nc2c(Cl)cccc2s1 330152331 WQUQKJAWFSBAIQ-QMMMGPOBSA-N 296.779 3.964 30 20 CHED CC(C)C[C@H](C)/N=C(/O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 330506462 CZMNELFZDRCKPK-BFHYXJOUSA-N 284.444 3.518 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1CCC[C@H](SC)C1 330838759 LQEKJUXODMYIPM-MNOVXSKESA-N 282.409 3.524 30 20 CHED CC(C)(C#N)CCCS(=O)(=O)C1CCC(C)(C)CC1 330946181 HLDTUJBQXLOEFS-UHFFFAOYSA-N 285.453 3.700 30 20 CHED CC[C@@H]1CCCN1C(O)=Nc1cnn([C@H](C)CC)c1C 331125140 NJNSJVYYSRNINB-DGCLKSJQSA-N 278.400 3.582 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccc(C#N)cc1 331747032 ZIRUAZMXBAMBJH-JQFCIGGWSA-N 297.402 3.593 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2sccc2F)cc1 334410777 MVDQPYYCWCMVRL-UHFFFAOYSA-N 288.347 3.941 30 20 CHED Cc1cncc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 334921035 IIGDLTHESSBMCM-LIRRHRJNSA-N 291.398 3.990 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(F)c2Cl)cc1 335671743 YMGIGYBCWLGWIY-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1nc(N(C)Cc2ccc(Cl)s2)ccc1C#N 336791975 PXYWRBHEYIGQBX-UHFFFAOYSA-N 277.780 3.613 30 20 CHED Cc1nc(NCc2cccc(F)c2)c(Cl)cc1C#N 336818797 XBHWJUMMTJENBF-UHFFFAOYSA-N 275.714 3.666 30 20 CHED COc1ccc(CN(C)CCCCC(C)(C)C#N)cc1O 336845502 VIISRMORXCXFNR-UHFFFAOYSA-N 290.407 3.553 30 20 CHED C[C@@H]1CCC[C@@H](C)N(CCCC2(C#N)CCOCC2)C1 337197376 XAVDCYBQQMMICG-HZPDHXFCSA-N 278.440 3.597 30 20 CHED Cc1c(C#N)cccc1C(=O)N(Cc1cccs1)C1CC1 337894194 KCLJTPXYFJYZIZ-UHFFFAOYSA-N 296.395 3.733 30 20 CHED C=CCCC(=O)Nc1ccc(Sc2ncccn2)cc1C 339395721 PPCZPFNHHNPLPY-UHFFFAOYSA-N 299.399 3.841 30 20 CHED CC(C)CCCN[C@@H]1CCCc2cc(C#N)ccc21 341759015 SORQIRBEZIGVMM-QGZVFWFLSA-N 256.393 3.961 30 20 CHED C=CCCN(C)C(=O)c1coc(-c2ccccc2Cl)n1 342500034 AVESINQBQNCJNG-UHFFFAOYSA-N 290.750 3.643 30 20 CHED C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCCC#N 342625411 BVPVCALTHIMJTR-SNVBAGLBSA-N 299.201 3.592 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Oc2cccnc2)cc1 344648677 DKISFEQEXDOEFG-LBPRGKRZSA-N 283.331 3.570 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)C1 345167106 OFFJESUWEVEWSB-TZMCWYRMSA-N 286.375 3.720 30 20 CHED CC[C@H](NCCCC#N)c1cc(F)cc(Br)c1 346806709 KOBIIGHCGZQXHW-ZDUSSCGKSA-N 299.187 3.933 30 20 CHED N#CC1(CCCNc2cc(F)c(F)c(F)c2)CCOCC1 347858763 ZFQNAGHNLIRCSY-UHFFFAOYSA-N 298.308 3.616 30 20 CHED C=CCCCNc1cnn(-c2ccccc2F)c1C 349787819 MVNKJSRVQSBZQW-UHFFFAOYSA-N 259.328 3.698 30 20 CHED C=C(CNC(=O)N[C@@H](C)CCSCC)c1ccccc1 354004478 BSRAOINOAXQBJA-AWEZNQCLSA-N 292.448 3.531 30 20 CHED CC[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 354396521 WOFARRHNOQXIPR-DOTOQJQBSA-N 284.403 3.723 30 20 CHED Cc1cc(C)c(CCNc2cnccc2C#N)c(C)c1 354556313 CHAXVWGMQSHKCE-UHFFFAOYSA-N 265.360 3.533 30 20 CHED C=CCn1c(C)nnc1SC[C@@H]1CCc2ccccc21 355454852 XPQBXZZOELUVDH-AWEZNQCLSA-N 285.416 3.595 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C/c1cc2ccccc2o1 357192411 RTUGXSAUJIWXKA-SOFGYWHQSA-N 290.278 3.568 30 20 CHED C[C@@H](C[S@@](=O)Cc1ccc(CC#N)cc1)c1ccccc1 359435592 YOQIFGUYDXUKFB-YCRPNKLZSA-N 297.423 3.805 30 20 CHED N#Cc1cccc(CNCc2ncoc2-c2ccccc2)c1 360038279 UMNAFFVDVJWFNE-UHFFFAOYSA-N 289.338 3.503 30 20 CHED C=CCOc1cccc(NC(=O)c2ccnc(C3CC3)c2)c1 361089971 ZLLFAKSKLRWLBS-UHFFFAOYSA-N 294.354 3.776 30 20 CHED C=CCn1c(C)cc(C(=O)CN(C(C)C)C2CCC2)c1C 362244500 LXPCTAZFSBIPCV-UHFFFAOYSA-N 288.435 3.737 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC=C(c2ccccc2F)C1 376370735 SXGZIKZSQXDQTM-ZDUSSCGKSA-N 273.351 3.654 30 20 CHED CC#CCCCC(=O)Nc1ccccc1-c1ncc(C)[nH]1 376622076 IDDLSAPODYHDIY-UHFFFAOYSA-N 281.359 3.517 30 20 CHED CC(C)N(CCC#N)Cc1cc(Cl)cc(Cl)c1N 385708701 KNIBHSZDLGWEDL-UHFFFAOYSA-N 286.206 3.700 30 20 CHED Cc1ccccc1[C@@H](C)NCc1ccc(CC#N)cc1 399022300 HUCQKYDIYQEZDA-OAHLLOKOSA-N 264.372 3.912 30 20 CHED C[C@@H]1CC[C@@H](N(C)c2ccc(C(F)(F)F)c(C#N)n2)C1 409653496 RLTMFBSIJJWDQE-NXEZZACHSA-N 283.297 3.597 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(C1CC1)C1(C#N)CCC1 410751534 XFUVKZCQYPGOIS-ZFWWWQNUSA-N 274.408 3.640 30 20 CHED N#CCCSCc1ccc(F)c(Br)c1 413016734 WUFGJWJQTUZIJM-UHFFFAOYSA-N 274.158 3.735 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C 416196471 WUMIEEKXGGIWCI-RDJZCZTQSA-N 288.435 3.540 30 20 CHED CC(C)CC(CC(C)C)C(=O)NCC1(C#N)CCC1 416350561 JYZUFWXUZUNTOB-UHFFFAOYSA-N 264.413 3.505 30 20 CHED CC(C)CCn1cccc1CNCc1ccc(C#N)s1 421354184 QYSCQWRATYFPKI-UHFFFAOYSA-N 287.432 3.757 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](Cc2ccccc2)C1 424691238 QWJFOWUFESESNW-MRXNPFEDSA-N 271.404 3.680 30 20 CHED C=CC[C@@H](CO)CN[C@@H]1CCSc2cc(C)c(C)cc21 427523912 WMDBGAJQKPVUCH-GDBMZVCRSA-N 291.460 3.615 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H]1c1ccncc1 432569388 YHRNXVDBKPXQAK-HNNXBMFYSA-N 287.407 3.530 30 20 CHED Cc1cc(F)ccc1NCC#Cc1ccc(F)cc1 433423546 PGBROAHGIUTBDQ-UHFFFAOYSA-N 257.283 3.737 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2ccc(C#N)s2)ccc1F 434165806 YLJUJPAMYJSREI-SNVBAGLBSA-N 288.347 3.558 30 20 CHED COc1cc(OCc2ccccc2OC(C)C)ccc1C#N 435883056 INYIMUYWZWHFQK-UHFFFAOYSA-N 297.354 3.933 30 20 CHED CC(C)C[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 442690057 VCMQIGSACNHPNE-ZBFHGGJFSA-N 256.393 3.987 30 20 CHED CC(C)OCc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442877531 ZWHRQYUZNPTVRX-XJKSGUPXSA-N 258.365 3.716 30 20 CHED N#Cc1cccnc1Sc1nc(-c2ccccc2)co1 443969559 YQQHWBKQKDKBDM-UHFFFAOYSA-N 279.324 3.759 30 20 CHED COc1ccc(C#N)cc1CN1CCSc2ccccc21 448524638 KAGPMUGLSRDBAU-UHFFFAOYSA-N 296.395 3.679 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(CN(CC)CC)c1 448675979 POGOOKIEKATOKA-UHFFFAOYSA-N 274.408 3.679 30 20 CHED Cc1cc(CN2CCO[C@H](c3cccc(C#N)c3)C2)cs1 449039131 BCWHSTBVYSGDND-KRWDZBQOSA-N 298.411 3.502 30 20 CHED C=CCCCC[C@@H](C)N[C@@H]1Cc2cccc(O)c2C1 449281594 DGTRXXZHAVBECI-UKRRQHHQSA-N 259.393 3.584 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)Cc1coc2ccccc12 449302381 VIMXJZDUBJBGQO-VCBZYWHSSA-N 299.414 3.935 30 20 CHED CC(C)[C@H]1C[C@H](Nc2cccc(CC#N)c2)CS1 449697217 LAJFPAXAAVRCNQ-LSDHHAIUSA-N 260.406 3.695 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H](SC)C2)CCCC1 449887902 NRENZNMEPISJOV-ZIAGYGMSSA-N 281.465 3.913 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3c(OC)cccc32)CCCC1 450117038 SGURBPUVAHOKSH-MRXNPFEDSA-N 299.414 3.935 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2cccc(Cl)c2C#N)CCO1 450426146 VVCBNWPUBWEKIE-NHYWBVRUSA-N 278.783 3.827 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCC(=O)C(C)(C)C 450427167 RXJOITXSDGEGLX-ZDUSSCGKSA-N 267.413 3.633 30 20 CHED CC#CCCNC(=O)c1c(Cl)cc(Cl)cc1Cl 450681637 BUUQTVUZHRVJQN-UHFFFAOYSA-N 290.577 3.790 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1C[C@H]1CC)c1ccccc1 452762293 FFHRNFQAGTZDSW-KBMXLJTQSA-N 257.377 3.509 30 20 CHED C=CCC1(c2nc(Cc3cscn3)no2)CCCC1 453063306 FKYVXUMBXUSRML-UHFFFAOYSA-N 275.377 3.505 30 20 CHED C=CCC[C@@H](CCC)N1CCC[C@]2(CCOC2)C1 453361648 KVXARWUOLKPXOG-CVEARBPZSA-N 251.414 3.624 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccc(OC(F)F)cc1 453376686 XYZWLBDGWPLLAK-KFWWJZLASA-N 297.345 3.672 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CCC1 457507100 CULZADRJKFSLEB-VIFPVBQESA-N 294.301 3.534 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)CCC1 457936130 UFBWAXDCSFYGEX-NSHDSACASA-N 290.432 3.555 30 20 CHED Cc1cccc([C@H](C)NC(=O)NCC(C)(C)CC#N)c1C 458401646 HQOPECZJPAPDOE-AWEZNQCLSA-N 287.407 3.604 30 20 CHED C=C(CC)CNCc1cc(Cl)c(O)c(OCC)c1 459562395 ORTKBJWPEUIWQF-UHFFFAOYSA-N 269.772 3.500 30 20 CHED CC1(C#N)CN(Cc2cc(C(F)(F)F)ccc2Cl)C1 459594845 PVHORWZQJRAXHD-UHFFFAOYSA-N 288.700 3.704 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1C 460949219 MGQBLEPMASDKOP-KBPBESRZSA-N 290.455 3.678 30 20 CHED CC[C@H](C(=O)N(CC)C[C@H](C)C#N)C1CCC(C)CC1 461003935 AZCMPQVJDGJIJB-KNIAUWFNSA-N 278.440 3.847 30 20 CHED Cc1cc(N(C)Cc2ccc(C#N)cc2)c(F)cc1[N+](=O)[O-] 461728610 HYGMWCMPLJNUKS-UHFFFAOYSA-N 299.305 3.550 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 462236656 XSYFGITWASLVSV-IUODEOHRSA-N 286.375 3.720 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 466628396 OJMNWLDQNGNNSX-CQSZACIVSA-N 275.392 3.612 30 20 CHED C=CCCN(C)C(=O)c1ccc(OCCC(C)C)cc1 466629407 AQACGXHWVPMDDQ-UHFFFAOYSA-N 275.392 3.760 30 20 CHED C=CCCN(C)C(=O)NCc1csc2ccccc12 466976332 JDQWZIGGWJLPTH-UHFFFAOYSA-N 274.389 3.619 30 20 CHED C[C@@H](CC(=O)Nc1cccc(C#N)c1)Cc1cccc(F)c1 467931469 MDOXGXRPKQLRLE-CYBMUJFWSA-N 296.345 3.905 30 20 CHED CCc1cccc(CN(C)Cc2cccc(C#N)c2)c1 469099285 XVERZNCIULMOHC-UHFFFAOYSA-N 264.372 3.753 30 20 CHED C[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F 475155967 VRHQRAITFBARTJ-RISCZKNCSA-N 294.345 3.828 30 20 CHED C=C(C)[C@H](N[C@@H](COC)C(C)C)c1ccc(F)c(F)c1 480664553 DQZWJXZMPYZMJE-HOTGVXAUSA-N 283.362 3.843 30 20 CHED CN(CCOc1ccccc1C(C)(C)C)CC1(C#N)CC1 483329595 FWZILQRIJTYEMA-UHFFFAOYSA-N 286.419 3.598 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2cccc(F)c2C#N)cc1 487580343 ACCAPHPIFXMEAV-GFCCVEGCSA-N 296.345 3.751 30 20 CHED C=CCn1cccc1C(=O)N(Cc1cccs1)C1CC1 488401259 WVZTUDRFRCIIEI-UHFFFAOYSA-N 286.400 3.540 30 20 CHED Cc1cc(CN(CCC#N)CCC(C)C)ccc1C#N 488432816 QCESFRBMNMKAMM-UHFFFAOYSA-N 269.392 3.628 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)Oc1ccccc1C 488876695 JFDTZEJZBXJQAU-HOTGVXAUSA-N 287.403 3.720 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(C)(C(C)C)CC1 501577655 GRNHRPIVIFVXCF-UHFFFAOYSA-N 251.414 3.873 30 20 CHED C=C(C)CCc1noc(-c2cc3ccccc3c(OC)n2)n1 508689186 ZLSGNEOKIBWUPZ-UHFFFAOYSA-N 295.342 3.802 30 20 CHED CCCCC/C(=C/c1ccccc1)CN1CCO[C@H](C#N)C1 513689661 DZCLAPRONOJCEU-CWDSQJGSSA-N 298.430 3.875 30 20 CHED CC(C)n1ccnc1SCc1ccc(C#N)s1 518562439 INPGEQBZQKZNQP-UHFFFAOYSA-N 263.391 3.689 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)NCCCCC#N 522515973 UVDFLSJPBSFGQF-OAHLLOKOSA-N 264.413 3.649 30 20 CHED C=CCNC(=O)NC[C@H](C)c1c(Cl)cccc1Cl 523539026 DPHLRRZZYMPYRI-VIFPVBQESA-N 287.190 3.582 30 20 CHED N#Cc1nnc2ccccc2c1Sc1cccs1 524849731 UBDYVMPBPATIMN-UHFFFAOYSA-N 269.354 3.714 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](CCC)OCC)c1 528379463 KEWHFSWGJPFXQL-INIZCTEOSA-N 291.391 3.785 30 20 CHED C[C@H](C#N)CN[C@H]1CCC[C@@H](c2ccccc2)CC1 529544257 XASRIMNOVMYNBN-OIISXLGYSA-N 256.393 3.852 30 20 CHED C=C1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)CC1 534416237 AOKRWTOFVKEWQY-CYBMUJFWSA-N 277.795 3.697 30 20 CHED C=C(C)[C@H](CC(=O)NCc1ccc2ccccc2c1)OCC 534422113 VAPCNNJRDBLJEQ-SFHVURJKSA-N 297.398 3.827 30 20 CHED C=CC[C@H](CO)CN[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 538195454 UXKVEYMQEVKNJS-KCITZHQASA-N 287.447 3.733 30 20 CHED N#Cc1nc(N2CC=C(c3ccccc3F)C2)ccc1Cl 538291079 PTKYJWBQKACDEM-UHFFFAOYSA-N 299.736 3.649 30 20 CHED CC#CCn1c(COc2ccc(C)cc2)nc2ccccc21 538648017 TVJULOCHUHATMJ-UHFFFAOYSA-N 290.366 3.947 30 20 CHED C=C(CC)CSCc1ccc(C(=O)OC)c(F)c1 540193587 MFVUDTWXZQEPTK-UHFFFAOYSA-N 268.353 3.812 30 20 CHED COC(=O)[C@H](Sc1cccc(Cl)c1C#N)C(C)C 541173475 SMYJNZPAJYGVCV-GFCCVEGCSA-N 283.780 3.501 30 20 CHED C=CCCCCNc1cccc2c1OCC[C@H]2OC 556414394 SVMSBYOYZBAJRP-OAHLLOKOSA-N 261.365 3.925 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cnn(Cc2ccc(OC)cc2)c1 556610224 DOCXWPFHVWXRBT-HUUCEWRRSA-N 299.418 3.953 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCC[C@H]1CCC)C1CC1 557217912 FFYGQZFYOSZIJA-UKRRQHHQSA-N 264.413 3.705 30 20 CHED Cc1cc(C)cc(C2=CCN(c3cc(C#N)ccn3)CC2)c1 557642691 AIMDUHOFSYAZBB-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(C)cc2OC)no1 558385916 HEXXNLWCWYHNIN-MRXNPFEDSA-N 272.348 3.907 30 20 CHED C=CCC[C@@H](NC[C@@H](CO)Cc1ccccc1)c1ccco1 560527840 FUVQYJMRSZUCAM-ZWKOTPCHSA-N 299.414 3.728 30 20 CHED N#Cc1cccc(C2(NC(=O)c3cccc(Cl)c3)CC2)c1 560842509 XGOWKLICWHCIDM-UHFFFAOYSA-N 296.757 3.631 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)O)s1 564350672 NYGTUCVNIHUCDH-PBHICJAKSA-N 295.363 3.575 30 20 CHED CC(C)CC1(CNC(=O)c2cc(C#N)ccc2Cl)CC1 569098070 OEVGTIYDHAVQAE-UHFFFAOYSA-N 290.794 3.768 30 20 CHED C=CCCCCN(CC(=C)C)Cc1ccc(CO)o1 569426336 GYXMTZQPDBWFKC-UHFFFAOYSA-N 263.381 3.506 30 20 CHED Cc1cc(C)c2c(c1)N(Cc1ccc(C#N)cn1)CCC2 569496602 SJBGSMMHSBYUAG-UHFFFAOYSA-N 277.371 3.523 30 20 CHED CC1(C)CCCN(Cc2ccc(Br)o2)[C@H]1C#N 576304548 BYJNLIYFGRYDQV-NSHDSACASA-N 297.196 3.556 30 20 CHED CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CC1(C)C 577484203 WHPJPGHAPDSODE-VVLHAWIVSA-N 296.414 3.603 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(F)cc2C)no1 578555578 VFSJAGRYPBQBKY-UHFFFAOYSA-N 283.306 3.839 30 20 CHED N#Cc1cnc(CN2CCC[C@H]2CCC2CCCCC2)nc1 579698038 WXDZHKGEGNNBOG-KRWDZBQOSA-N 298.434 3.673 30 20 CHED CC1(C)CC(CN[C@H]2CCc3ccc(C#N)cc32)C1 581973315 IDTAFNVJBUGXCY-INIZCTEOSA-N 254.377 3.571 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)CCCCCC#N)CC1 588158152 HMIGIVRMPATWJX-OAHLLOKOSA-N 264.413 3.745 30 20 CHED Cc1nc(C)c([C@H](C)N(C)C(=O)CCCCCC#N)s1 588351422 RGYUUPDLMDITPO-LBPRGKRZSA-N 293.436 3.753 30 20 CHED N#Cc1cc(Cl)ccc1N1CCNc2ccccc2C1 589559443 JGIQKSSDMQETTQ-UHFFFAOYSA-N 283.762 3.644 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)C1CCCC1 590949875 GUTUNIGSNOMEBO-WBVHZDCISA-N 291.439 3.681 30 20 CHED Cc1cc(Cl)cc(C#N)c1Oc1cc2c(nn1)CCC2 591465564 NNWWASWXODBHBN-UHFFFAOYSA-N 285.734 3.591 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 591814027 OCPQODAJFVLVEF-LSDHHAIUSA-N 262.397 3.545 30 20 CHED Cc1cc(C#N)ccc1CSCc1cc2n(n1)CCCC2 593195090 RCYDZEZHJQPARV-UHFFFAOYSA-N 297.427 3.833 30 20 CHED CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C#N)CC)o1 593483954 MAVBRYJWCLBFPW-ZFWWWQNUSA-N 288.391 3.835 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 593648220 VFFGQSKPDDAIOU-WHOHXGKFSA-N 289.404 3.535 30 20 CHED C=CCCSCCN[C@@H]1CCc2c1ccc(OC)c2F 595059089 KWDLZSYZXIRBFX-CQSZACIVSA-N 295.423 3.721 30 20 CHED CC(C)c1ccc2c(c1)CN(Cc1ccc(C#N)cn1)CC2 595658320 SODFYTZWYFHRGL-UHFFFAOYSA-N 291.398 3.635 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 596466851 IZMSZUSKNQDNGX-MRXNPFEDSA-N 297.402 3.992 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)CC1(C#N)CCCCC1 598448525 NQIPFGHNFHBRDT-GOOCMWNKSA-N 274.408 3.640 30 20 CHED CC[C@H](C)c1ccc([C@@H](C)NC2CCN(CC#N)CC2)cc1 599026754 FLWSRFMBCGWJEH-JKSUJKDBSA-N 299.462 3.839 30 20 CHED CCC(C#N)(CC)C(=O)NCC(C)(C)c1ccc(C)cc1 599322288 QVNJDZJVMKCUMR-UHFFFAOYSA-N 286.419 3.719 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)CCCC(F)(F)F 599823183 DMIIENVETPENKM-SNVBAGLBSA-N 278.318 3.554 30 20 CHED N#C[C@H]1CC[C@@H](n2cc(C3CCCCCC3)nn2)C1 600973357 MWSOIULPMPNLAB-GXTWGEPZSA-N 258.369 3.581 30 20 CHED Cc1cccc(-c2nsc(N3CCC[C@@](C)(C#N)C3)n2)c1 601141718 PIOSSBQSNQKNTG-INIZCTEOSA-N 298.415 3.644 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccco1)Cc1ccco1 602435768 UJOPJDGQNWXJLE-AWEZNQCLSA-N 272.348 3.815 30 20 CHED C[C@H](CCC#N)CN(C)CCCCc1ccccc1 602446551 GNWGVNSCKKWTSY-MRXNPFEDSA-N 258.409 3.881 30 20 CHED C[C@H](CCC#N)CNc1ccc(CCN2CCCC2)cc1 602491320 GIPCPDRAVIGYRQ-MRXNPFEDSA-N 285.435 3.677 30 20 CHED CC[C@](C)(NCCCSCC#N)c1ccc(F)cc1 602925849 ZATRIOPUVAQLEG-HNNXBMFYSA-N 280.412 3.687 30 20 CHED C=C(C)CSCc1nc(-c2ccccc2C)no1 603503272 RBXAHFNKMWFNED-UHFFFAOYSA-N 260.362 3.854 30 20 CHED CSC[C@H](C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 609427963 PEARXBQOIIJRQI-ZDUSSCGKSA-N 290.432 3.546 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)CC#N)c1ccccc1C(F)(F)F 610239753 RLWZZFCMMOWMAX-GHMZBOCLSA-N 298.308 3.569 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)cc2)ccc1F 610583444 JBFQJJWZWXKCBR-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED N#CCC[C@@H](NCc1n[nH]c2ccccc12)c1ccccc1 610972161 FNJXCNPJTFAAJO-MRXNPFEDSA-N 290.370 3.698 30 20 CHED C[C@@]1(C#N)CCCN(Cc2csc(Br)c2)C1 612163268 QMLSCTRQPYUYBE-LBPRGKRZSA-N 299.237 3.636 30 20 CHED CC(C)COc1ccccc1CN1CCC[C@](C)(C#N)C1 612166923 FVBXNFDRPCVSMH-GOSISDBHSA-N 286.419 3.847 30 20 CHED CC(C)(C#N)CNCc1cc(C(F)(F)F)ccc1Cl 612584884 GHIQPZMTZNFYCC-UHFFFAOYSA-N 290.716 3.998 30 20 CHED C=CCn1c(C)cc(C(=O)COc2cccc(C)c2)c1C 612763710 LUIDQILJDYPRJL-UHFFFAOYSA-N 283.371 3.861 30 20 CHED COc1ccc(Cl)cc1C[S@](=O)CCC(C)(C)C#N 616179890 XPLUDRNOURFVQW-LJQANCHMSA-N 299.823 3.537 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1c(C)cccc1C 617177175 NRSBLUMHXKKEOZ-HNNXBMFYSA-N 257.377 3.933 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3cnccc3c2)C1 617777766 WIONUPLUEHTTOQ-AWEZNQCLSA-N 280.371 3.663 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(C(F)(F)F)CCC2)C1 617779355 ZKOHANOJNGYZJQ-LLVKDONJSA-N 275.314 3.534 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc3ccc(C)nc23)C1 617782542 HROUVSRFWIGTRN-OAHLLOKOSA-N 294.398 3.972 30 20 CHED C=CCC1(NC(=O)Cc2cccc(F)c2F)CCCC1 619107835 KIDJIWDICDFMBQ-UHFFFAOYSA-N 279.330 3.512 30 20 CHED C=CCC1(NC(=O)Cc2ccc(O)c(Cl)c2)CCCC1 633639215 VWVDSVJCSJYBTK-UHFFFAOYSA-N 293.794 3.593 30 20 CHED C=CCCOCCCCC(=O)Nc1ccsc1C 634213163 BEIXSCDBDSQQOA-UHFFFAOYSA-N 267.394 3.758 30 20 CHED C=CCCCCN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 649528079 JCWRRYHOXMKTSQ-BRWVUGGUSA-N 265.441 3.748 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2F)C1 664333470 OWBQAJDRANRSLB-LLVKDONJSA-N 280.318 3.785 30 20 CHED C=CCCNC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C 665941287 WUXCIVBKOVDFRR-FMKPAKJESA-N 272.392 3.539 30 20 CHED C=CCC1(N[C@@H](C)CCc2cccc(F)c2)CCOCC1 668552432 LZEOLBCFRYZQQT-HNNXBMFYSA-N 291.410 3.862 30 20 CHED C=C(CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 673343316 JILKCTFFHVZOEX-LJQANCHMSA-N 291.394 3.936 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc(OCC)n1)c1ccccc1 681664307 FLEQADJGFOLARP-OAHLLOKOSA-N 296.370 3.779 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1ccccc1OC 682374751 BSBPRRRYLYAWHU-SFHVURJKSA-N 289.419 3.691 30 20 CHED CC#CCCCc1nc(Cc2ccccc2CC)no1 685374707 DLQPKQKRQQPDBG-UHFFFAOYSA-N 268.360 3.569 30 20 CHED N#Cc1cccnc1NCCc1ccc(Cl)c(Cl)c1 716318488 IFTQLDXDKQIDCY-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C=C(CNCc1nc(C)c(C)s1)c1ccccc1 719531061 QPLACLFMHHCBRA-UHFFFAOYSA-N 258.390 3.563 30 20 CHED C=CCCC(=O)OCCOc1ccccc1C(F)(F)F 726651005 VCVAUWLUYCRFOH-UHFFFAOYSA-N 288.265 3.594 30 20 CHED CCc1ccccc1NN=Cc1ccc(O[C@H](C)C#N)cc1 727683210 FSDOJPRAOKYHJK-CQSZACIVSA-N 293.370 3.986 30 20 CHED O=C1/C(=C/c2cc(F)c(F)c(F)c2)COc2ccccc21 727976283 OVJSXINQLRPIBE-BJMVGYQFSA-N 290.240 3.763 30 20 CHED C=C(C)CNC(=S)N[C@@H](c1ccccc1)C1CCC1 729159230 IVDBPCGPRKZZHG-HNNXBMFYSA-N 274.433 3.568 30 20 CHED Cc1cccc2c1CC[C@H]2/N=C\c1cc([N+](=O)[O-])ccc1O 729641023 ANXYUHIDUDIMLY-LTKMBJGESA-N 296.326 3.715 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(C(=O)O)s2)c1C 731156878 OHXICVXSVNONPZ-SREVYHEPSA-N 286.352 3.959 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc2c(c1)-c1ccccc1C2 732098794 SXLIXQUYKZQXTC-GOSISDBHSA-N 290.366 3.536 30 20 CHED CCOc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 734301944 URHVOLZTFQBTJB-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CC(C)(Cc1ccccc1)C(=O)Oc1ccc(C#N)cc1 735419839 KPBHQRBHPBAQEN-UHFFFAOYSA-N 279.339 3.733 30 20 CHED C=CCCCOC(=O)c1cnn(-c2ccccc2Cl)c1 735535275 SZZHOHQNAUNYHH-UHFFFAOYSA-N 290.750 3.649 30 20 CHED COc1ccc(CCNN=C(C)Cc2ccsc2)cc1 737440119 CXOQRNPHSNUPHI-UHFFFAOYSA-N 288.416 3.507 30 20 CHED CC(C)CN(CCC#N)Cc1ccccc1OC(F)F 739914395 JSPCZARBLHCIGP-UHFFFAOYSA-N 282.334 3.660 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc3ccccc3n2)c1 741462177 ZPMSKCWWRHPQCH-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C[C@@H]1OCCC1=NNc1nc(Cl)c(Cl)cc1Cl 747747590 SFNYOIPONYIKJW-YFKPBYRVSA-N 294.569 3.619 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ccnc(F)c1 748715304 XCGJHLNJYNIXHS-ZDUSSCGKSA-N 280.387 3.947 30 20 CHED Cc1cc(F)ccc1NN=C1CCc2c(O)cccc21 750938034 AAPHFTBTGKJVIZ-UHFFFAOYSA-N 270.307 3.602 30 20 CHED CCSc1ccc(CC(=O)[C@H](C#N)c2ccccn2)cc1 752477089 ABYHGXMNEJJLGJ-OAHLLOKOSA-N 296.395 3.613 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cc(O)cc(O)c1 753692369 TUVWVSSITPJDAX-UHFFFAOYSA-N 299.355 3.544 30 20 CHED C=CCCC(CC)=NNc1ccc(C(F)(F)F)nn1 754710946 OQJZCPZPBUFQPV-UHFFFAOYSA-N 272.274 3.640 30 20 CHED COc1cccc2c1C/C(=C\c1cc(F)cc(F)c1)C2=O 755600107 YHLJSUVFOLDSAX-VZUCSPMQSA-N 286.277 3.796 30 20 CHED CC(C)CCn1cccc1C=NNCc1ccc(C#N)cc1 755804140 XDIFEUKXJDIJKY-UHFFFAOYSA-N 294.402 3.530 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1cccc(Nc2ccc(C)nn2)c1 756013033 GPLYNLXWLUNEBQ-CYBMUJFWSA-N 297.358 3.650 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(CC(C)C)CCC2)c1 756930638 VOLHKRCDHLQJAN-UHFFFAOYSA-N 269.388 3.847 30 20 CHED CCOc1cccc(/C=N/Cc2ccc(C)cc2OC)c1O 757530703 QWNWJNXWPXIPJM-XDHOZWIPSA-N 299.370 3.727 30 20 CHED CC1(C)CCCCC1=NNc1cnc2ccccc2n1 757577291 YZKOSYSETMQKSW-UHFFFAOYSA-N 268.364 3.998 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2nc(Cl)cs2)c1 759082170 CNOKSEAFACJZGJ-SNAWJCMRSA-N 279.748 3.707 30 20 CHED C#CCCCC(=O)OCC(=O)c1ccc([C@H](C)CC)cc1 759191743 MGGRJVNPUNUVAX-CQSZACIVSA-N 286.371 3.730 30 20 CHED COc1cc(F)cc(NN=Cc2nccc3ccccc23)c1 759213058 UUFWNCMMFNREEP-UHFFFAOYSA-N 295.317 3.829 30 20 CHED CCCCCCCCC(=O)N[C@H](C)C[C@H]1CCOC1 759966333 TZCGFUUIKNISFD-HUUCEWRRSA-N 269.429 3.668 30 20 CHED CCC(CC)[C@H](C)C(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1 762064152 IPSCYPMBGUJINX-AAEUAGOBSA-N 298.390 3.515 30 20 CHED N#CC1(OC(=O)Cc2ccc(-c3ccccc3)cc2)CCC1 762094278 KXHLYSFXJDQHEM-UHFFFAOYSA-N 291.350 3.886 30 20 CHED C#CCNC(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1 763289267 KZCRTAYSQSEQKB-KRWDZBQOSA-N 284.403 3.680 30 20 CHED C#CCN(Cc1coc(-c2cccc(Cl)c2)n1)C1CC1 763955875 HCGJLOVHWOEMHZ-UHFFFAOYSA-N 286.762 3.593 30 20 CHED C#CC[C@H](OC(=O)/C=C/c1ccc2[nH]ccc2c1)C(C)C 765961553 ZGCACCVVMYIYCE-LKUPDRCFSA-N 281.355 3.772 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C#N)s2)ccc1C#N 766489946 HWLVZFMCEBBOFC-UTCJRWHESA-N 278.336 3.696 30 20 CHED CC#CCCCC(=O)OCc1csc(-c2ccoc2)n1 767672815 UKJYXKYKEBOHDW-UHFFFAOYSA-N 289.356 3.640 30 20 CHED CCCCC[C@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 767906346 MSXOIKXICARRNC-ROUUACIJSA-N 286.419 3.636 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)COc1ccc(C#N)cc1 768189077 VSGQCEMWZSPGKO-AWEZNQCLSA-N 295.338 3.550 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@H]3C2)s1 771015477 MJSKBWLCXNYMQN-SDDRHHMPSA-N 275.373 3.745 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)c2cnccc2C)cc1 771390926 YWTXSBGYLFOTPT-HOTGVXAUSA-N 294.398 3.814 30 20 CHED C=CC[C@H](N[C@H](C)c1ccc(F)cn1)c1ccncc1 771392332 VXJSKHQAQOKKLY-WBMJQRKESA-N 271.339 3.584 30 20 CHED C=CCN(Cc1c(O)ccc2ccc(OC)cc12)C1CC1 771640612 PGPKDFCBMXKYNT-UHFFFAOYSA-N 283.371 3.704 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cnc3ccc(C)cn23)c1 771860986 UMKCECKIOSCTOG-ALCCZGGFSA-N 292.338 3.553 30 20 CHED C=CCCCOc1ccc([C@](C)(O)C(F)(F)F)cc1 772899605 KPWPFIBIXMORBC-ZDUSSCGKSA-N 274.282 3.801 30 20 CHED C#CCCCCC(=O)Oc1cc(Cl)ccc1F 773779491 HRZVAMMSNRDQBE-UHFFFAOYSA-N 254.688 3.578 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@H](O)c1ccc(Cl)cc1 776014616 ALJFLIFCUVCXQP-SWLSCSKDSA-N 295.810 3.625 30 20 CHED O=C(/C=C/c1cc2cc(F)ccc2o1)c1ccncc1 776188459 RNKVFFZIVMEQJE-NSCUHMNNSA-N 267.259 3.863 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H]1COC2(CCCCCC2)O1 777313561 IHQOPDIDHUIVEQ-ARFHVFGLSA-N 281.440 3.643 30 20 CHED CCc1ccc(C=NOCCC(F)(F)F)s1 777458301 HVXSNXOCEFCLAW-UHFFFAOYSA-N 251.273 3.613 30 20 CHED CC(=NNCCOC(C)C)c1ccc(Cl)c(Cl)c1 778553700 GTLYVXGVVDFWPJ-UHFFFAOYSA-N 289.206 3.732 30 20 CHED C#CCCCCCC(=O)N1CCC(C)(C(C)C)CC1 779224385 BFXYUJNQWBEHFT-UHFFFAOYSA-N 263.425 3.855 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1c1cccs1 779744623 YNGHGBBQJNYSHI-AWEZNQCLSA-N 275.417 3.995 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)Cc1ccccc1Cl 779844178 FZYVLPQVXINNKG-AWEZNQCLSA-N 291.822 3.971 30 20 CHED C#CCCCCCC(=O)Nc1cc(F)c(F)c(F)c1 779918317 SCIOQTGLHKYUJM-UHFFFAOYSA-N 269.266 3.626 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ncc(C(C)C)s1)OCC 783492562 LUSGMGWYMPIKKP-LBPRGKRZSA-N 297.420 3.681 30 20 CHED C[C@@H](CC(=O)O[C@@H](C#N)C1CC1)c1c[nH]c2ccccc12 786434818 BNPAKXCCAAYMPL-ZBEGNZNMSA-N 282.343 3.507 30 20 CHED C#CCC1(C(=O)Nc2nc(C3CC3)cs2)CCCCC1 788437285 QXXUIUICXFNQMR-UHFFFAOYSA-N 288.416 3.933 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccsc3)cn2c1 789125878 ABZBBQOADZQJJP-ARJAWSKDSA-N 268.341 3.600 30 20 CHED O=C(/C=C/c1cnc(-c2ccco2)s1)c1cncs1 789141319 CWFXOJWRDJIMPS-ONEGZZNKSA-N 288.353 3.756 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1cc2ccccc2[nH]1 790309167 WXIQDRJJGJIINK-UHFFFAOYSA-N 298.277 3.661 30 20 CHED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O[C@H](C)C#N 792509651 CPKBFBLWHYXXAC-PWSUYJOCSA-N 299.292 3.729 30 20 CHED CC[C@@H](C)CON=Cc1ccc(F)c2cccnc12 793160175 USNDWWLBQDDTRC-LLVKDONJSA-N 260.312 3.771 30 20 CHED Cc1cccnc1NN=Cc1ccc(C(F)F)cc1 794533822 BSGVSUOKGWDFKV-UHFFFAOYSA-N 261.275 3.774 30 20 CHED O=C(/C=C\c1cc(Cl)cs1)c1ccnc(F)c1 794718826 FJWOSIMAONBCPD-UPHRSURJSA-N 267.712 3.832 30 20 CHED C(=NNCCCc1ccccc1)c1ccc2occc2c1 794908903 KPHNEHJSCDHMQH-UHFFFAOYSA-N 278.355 3.989 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1cc(Cl)ccc1O 794941315 NTQUODDUKINDGY-XQRVVYSFSA-N 290.750 3.719 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc(C)c(C)c1 795010217 XTBPJSRNSITKGD-UHFFFAOYSA-N 257.312 3.674 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(OC(F)F)cc1 796463008 JYDQDOWIRVECDW-UHFFFAOYSA-N 284.302 3.934 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Cl)cc1 799434385 OZMSDAFOOHTQSL-YHYXMXQVSA-N 282.730 3.864 30 20 CHED COc1cccc(/C=C2\CCc3c(OC)cccc3C2=O)c1 799501996 CCYMGVOKECBQSB-SDNWHVSQSA-N 294.350 3.916 30 20 CHED C=C(C)CNC(=S)N(CC)c1ccccc1Cl 799507783 QDWBMHPWUZOGRQ-UHFFFAOYSA-N 268.813 3.617 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cn(C)cn1)CC2 800794987 VSVZCVUIECANSF-NVNXTCNLSA-N 280.371 3.756 30 20 CHED C[C@H](NC(=O)/C=C/c1ccccc1C#N)c1ccsc1 801017737 GMPQBHZURCUSMW-SYTKJHMZSA-N 282.368 3.510 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)/C=C\c2ccc[nH]2)s1 802249616 CJLIFQWHBFIBQR-ZHRWSRJISA-N 299.399 3.658 30 20 CHED C=CCCCCCCNC(=O)[C@H]1Cc2ccc(F)cc21 805220819 GFVKIYLBPKRLTA-INIZCTEOSA-N 275.367 3.718 30 20 CHED C=C(Cl)COC(=O)COc1cc(Cl)ccc1Cl 806190220 ZGJZRRLDANEQFR-UHFFFAOYSA-N 295.549 3.668 30 20 CHED C=CCCCCCCCCNC(=O)N1CCC(F)(F)C1 807592130 MVJOSELNXCSSJF-UHFFFAOYSA-N 288.382 3.954 30 20 CHED CCC1(C=NNc2ccc([N+](=O)[O-])cc2C)CCOCC1 807989141 CVPPBHUPASIJCM-UHFFFAOYSA-N 291.351 3.508 30 20 CHED Cc1cc(OC(=O)c2cc(C(C)C)no2)c(C)c(C)c1C#N 809037398 YCCKTCZKMJBNAD-UHFFFAOYSA-N 298.342 3.814 30 20 CHED C#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1 809547950 YKBDCYIXJQLQDM-LJQANCHMSA-N 261.368 3.657 30 20 CHED Cc1ccc(C(=O)OCc2cc(C(C)(C)C)on2)cc1C#N 810724277 NYHQJRDBCWXEHO-UHFFFAOYSA-N 298.342 3.509 30 20 CHED C=CCCCCOC(=O)c1cnc([C@@H]2CCCO2)s1 811012081 WSXMDEJTHUKPEJ-NSHDSACASA-N 281.377 3.508 30 20 CHED C=CCCCCCCCNC(=O)c1cnn(C(C)(C)C)c1 811590394 ZEXHEGFOIDJNLQ-UHFFFAOYSA-N 291.439 3.895 30 20 CHED C#C[C@H](C)NC(=O)N[C@@H](c1cccs1)C(CC)CC 812009573 BDDCACCJFJAMCQ-SMDDNHRTSA-N 278.421 3.546 30 20 CHED CC#CC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 813850402 WHYQLJDFQVLPRF-UHFFFAOYSA-N 296.197 3.723 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(N(C)C)c(C)c1 814104765 DKOYRGNKPHMQEN-UHFFFAOYSA-N 260.381 3.602 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc2c1CCCC2 814868505 VTUZRJLQHKCLRN-UHFFFAOYSA-N 265.303 3.715 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CC2(CC2)C1 814922442 IZVNMSHBFAPJKN-UHFFFAOYSA-N 264.760 3.595 30 20 CHED C=CCC(F)(F)C(=O)NCCc1ccc(C(C)(C)C)cc1 815010538 ZRIDDBCRZHIMQJ-UHFFFAOYSA-N 295.373 3.854 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1c(F)cccc1F 815314345 PELUGLXSOYRAOS-QMMMGPOBSA-N 276.229 3.780 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 815337379 KNVPIDOEJUCGJH-CHWSQXEVSA-N 273.367 3.919 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cccc(-n2cccn2)c1 820238189 IWCIFBUNPKQQDF-UHFFFAOYSA-N 284.359 3.518 30 20 CHED CCC[C@@H](CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 821797255 ONZPVWUIIPODEH-QWHCGFSZSA-N 274.364 3.742 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)c2nc(C)cs2)c1 825980325 YSYCJYKIYFNUIY-ZDUSSCGKSA-N 298.411 3.589 30 20 CHED COc1cccc2cc(CN3CCC[C@@H](CC#N)C3)oc12 826862211 WYFVSUPKRYJQLT-ZDUSSCGKSA-N 284.359 3.567 30 20 CHED C=CC[C@@H]1CCCN(CCCc2cnccc2C)C1 826947460 QNKCEGZVKDFSKI-MRXNPFEDSA-N 258.409 3.611 30 20 CHED C=CC[C@H](NC(=O)O[C@@H](C)CC(C)C)c1ccncc1 830536039 ZIOHYRADRXCNMT-ZFWWWQNUSA-N 276.380 3.860 30 20 CHED C=C(CC)CNc1ccc(OCC(=O)O)c2ccccc12 833371169 YLOUFMRJVUFGRP-UHFFFAOYSA-N 285.343 3.681 30 20 CHED C=CCC[C@H](NCc1coc(CC)n1)c1ccco1 834896788 CTEZHUQFQLDHPZ-ZDUSSCGKSA-N 260.337 3.627 30 20 CHED N#C[C@H](C(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1ccc2ccccc2n1 835041034 IPSGWPASIPSZSI-VGWMRTNUSA-N 290.366 3.847 30 20 CHED C[C@@]1(C(=O)[C@H](C#N)c2cnc3ccccc3n2)CC=CCC1 835348909 QFQTWPJDBCGMRS-FZKQIMNGSA-N 291.354 3.552 30 20 CHED O=C(C#CC1CC1)N[C@H](c1ccc(F)cc1)C1CCCC1 837347500 WNJCGXMRWROJOI-SFHVURJKSA-N 285.362 3.587 30 20 CHED O=C(C#CC1CC1)Nc1cc(F)ccc1SCC(F)F 837429758 TUXSMLVXPUWHIH-UHFFFAOYSA-N 299.317 3.535 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(-c2cccs2)on1 837862858 BFXFNWVKLNOXJA-UHFFFAOYSA-N 277.345 3.659 30 20 CHED CCCCCCCCC(=O)NC1CCC(OC)CC1 837951121 VBIXRXBGSXPCQD-UHFFFAOYSA-N 269.429 3.811 30 20 CHED C#CC[C@H](NCCOCC1CCCC1)c1ccccc1 838913328 PVCQWTNJZJFJSK-SFHVURJKSA-N 271.404 3.547 30 20 CHED CC(=O)CCCCCCC(=O)O[C@@H]1CCC[C@H](C#N)C1 839051080 KEQALBJBWXPVTC-LSDHHAIUSA-N 279.380 3.542 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(SC(F)(F)F)nc2)C1 839191464 YAZKKFUKSJCPFK-IUCAKERBSA-N 287.310 3.798 30 20 CHED CCC[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)OC 840707117 NPMPFLADDFZCPS-JRUYLCMPSA-N 290.190 3.933 30 20 CHED COCC1CCC(/N=C\c2cc3ccccc3nc2O)CC1 840713405 RWWLZPDQVMDXLB-ODLFYWEKSA-N 298.386 3.565 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(OCC(C)C)cc2)n(C)n1 841486904 FQDXUGNKXZZKNI-YFHOEESVSA-N 298.386 3.659 30 20 CHED C#C[C@H](OC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C)c1ccccc1 842363433 ITLKEYNGJTYPIG-KMFMINBZSA-N 298.382 3.546 30 20 CHED CC(C)Cn1nccc1/C=C1/C(=O)c2ccccc2[C@H]1C 843268724 MNVIZYAHSACXBE-VGSSETLESA-N 280.371 3.923 30 20 CHED CC1(C)C[C@@H](O)c2cc(-c3cccc(C#N)c3)ccc2O1 844231694 DMYVUEJQUMWLEU-MRXNPFEDSA-N 279.339 3.820 30 20 CHED CC1(C)C[C@H](O)c2cc(-c3ccc(C#N)s3)ccc2O1 844232462 NUTVEHBSTLXKOD-ZDUSSCGKSA-N 285.368 3.881 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(F)cc2)c1 844257129 OITCCGWWDXXWOD-UHFFFAOYSA-N 270.332 3.616 30 20 CHED C#CCCCCCCOC(=O)c1cnc2n1[C@@H](C)CCC2 845586214 OINVMTAAHPQVMT-AWEZNQCLSA-N 288.391 3.521 30 20 CHED C=C(C)CONC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 846538663 KRUZGAGJJKOLMB-DLBZAZTESA-N 281.355 3.567 30 20 CHED CCCNc1ccc(C#N)cc1NCc1cc(C2CC2)no1 849317362 VJSJAOVKBKNIPA-UHFFFAOYSA-N 296.374 3.858 30 20 CHED CCOc1ccc(CNCc2ccc(C#N)cc2)c(C)c1 850034154 ZIMDNQILWUVJQJ-UHFFFAOYSA-N 280.371 3.555 30 20 CHED Cc1ccc(F)c(C(=O)O[C@H](C)CC(C)(C)C#N)c1 851209027 AZWBDXMRTZXJJJ-LLVKDONJSA-N 263.312 3.619 30 20 CHED Fc1ccc(C=NOCc2ccc(-n3cccn3)cc2)cc1 851980493 HNMRROBVDDHSJD-UHFFFAOYSA-N 295.317 3.562 30 20 CHED C#C[C@](C)(CC)NCc1coc(-c2ccc(C)cc2)n1 852098021 CNNQLJZJNNPWGB-QGZVFWFLSA-N 268.360 3.542 30 20 CHED C=CCCONC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 856034710 KOXQDOUCEWJICZ-KBPBESRZSA-N 273.376 3.600 30 20 CHED C=CCC[C@@H](C)N[C@@H](C(=O)O)c1ccc2ccccc2c1 859810702 UXQHVCKQPRFQLY-CXAGYDPISA-N 283.371 3.910 30 20 CHED CCOc1cccc(/C=N/[C@H](C)c2cnc(C)s2)c1O 864347064 JLZAGRJQYMAGJG-LYQMGENXSA-N 290.388 3.736 30 20 CHED C=CC[C@@H](NCCC(C)(C)SC)c1ccncc1 877045885 FTKHLISJNTYCLV-CQSZACIVSA-N 264.438 3.820 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](CCC)c1ccccn1 878734597 OMEYRAUBHQQCCJ-AWEZNQCLSA-N 260.381 3.641 30 20 CHED C=C1CC(c2noc(C3CC(O)(CCC(C)(C)C)C3)n2)C1 896878078 XCTAJMGJJUSHEQ-UHFFFAOYSA-N 290.407 3.938 30 20 CHED C=C1CC(c2noc(CSc3ccc(O)cc3)n2)C1 896882958 DNQPNSTZYGSWRK-UHFFFAOYSA-N 274.345 3.501 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(-c2cnco2)c1 898157515 PXNTVGDQFKZPJN-UHFFFAOYSA-N 284.359 3.560 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1cccs1 899336358 UMPGNYNTCGQBOD-SREVYHEPSA-N 258.346 3.566 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2cc(C)c(F)cc2s1 900772758 ODOLMYDANGMJBJ-CQSZACIVSA-N 291.351 3.622 30 20 CHED CCc1noc(C)c1C(C)=NNc1c(F)cc(F)cc1F 901320836 QVSWKCYLSFEKMB-UHFFFAOYSA-N 297.280 3.799 30 20 CHED CCCC(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901379913 SBEXQAGZGYPKQR-UHFFFAOYSA-N 262.136 3.511 30 20 CHED Cc1cccc2c1C/C(=C\c1c(Cl)c(C)nn1C)C2=O 901472193 AYMOEGFKIOPICX-DHZHZOJOSA-N 286.762 3.513 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cncn2C(C)C)c1 901473520 HJHCEUSJGRPRPM-AATRIKPKSA-N 268.360 3.977 30 20 CHED COc1cccc2c1CC/C(=C\c1cncn1C(C)C)C2=O 901504874 PFZHRGBLWZQZHP-UKTHLTGXSA-N 296.370 3.685 30 20 CHED CC[C@H](N[C@H]1CCc2c(O)cccc21)c1cccc(C#N)c1 902794719 YLAMEEQVOOYQMH-ROUUACIJSA-N 292.382 3.992 30 20 CHED CCc1cnc(CN[C@H](CC)c2cccc(C#N)c2)s1 902826331 RJEACSWQKSDNQX-OAHLLOKOSA-N 285.416 3.818 30 20 CHED N#CC1(CN[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 903106431 QFDVQIPFQYNIHP-LBPRGKRZSA-N 281.186 3.874 30 20 CHED CC[C@H](C#N)C(=O)N(CC)c1cccc(C(F)(F)F)c1 910817509 LGPZRMSKSUMBEC-SNVBAGLBSA-N 284.281 3.608 30 20 CHED C=CCOc1ccc(C(=O)OCc2ccccc2OC)cc1 913365731 MNFMQXPEQVXUJQ-UHFFFAOYSA-N 298.338 3.617 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)c2ccc(C#N)cc2)c(O)c1 915113176 QCKSIWKYVQLIAE-RQZLXBNYSA-N 294.354 3.843 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cn1)C(C)C 915917906 TYQRJKBXXDRMAE-UHFFFAOYSA-N 259.275 3.934 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)Cc2c(F)cccc21 921264663 WVDXEAUIAFIEIW-UXBLZVDNSA-N 274.241 3.926 30 20 CHED CC(=O)Nc1cc(N[C@H](C)CC(C)(C)C#N)ccc1C 925736937 LJKDQPXUCHBCJI-GFCCVEGCSA-N 273.380 3.694 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1ccc(O)cc1 934705551 AXVOBESVZKJXQK-CJNGLKHVSA-N 273.376 3.658 30 20 CHED CC1(C)CCCN(C(=O)c2ccsc2C(F)F)[C@H]1C#N 935662575 HPEXEQIWYUWXFA-JTQLQIEISA-N 298.358 3.840 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 935877074 VGBZHNCCGVVEPR-MDZLAQPJSA-N 290.234 3.631 30 20 CHED C=C(C)COc1cc(C=NOC(C)(C)C)ccc1OC 1116404095 AAHPGEMKAZCMLU-UHFFFAOYSA-N 277.364 3.799 30 20 CHED C[C@@H](CCC#N)CN1CCc2ccc(Cl)cc2C1 1119295366 BTZRFKDUIPBOTQ-LBPRGKRZSA-N 262.784 3.638 30 20 CHED C#CC[C@H](C)OC(=O)c1sc(-c2ccccc2)nc1C 1122711720 AZPYZQJSWLXHDY-NSHDSACASA-N 285.368 3.687 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C)C2)cc1C#N 1124388194 HRMFQJPWTMPWGB-XHDPSFHLSA-N 257.333 3.602 30 20 CHED CC[C@H](CC(=O)Nc1ccc(OC)c(C#N)c1)C(C)C 1132547838 QPCRFHPUWWDYEH-GFCCVEGCSA-N 274.364 3.578 30 20 CHED CCc1ccc2c(c1)CCN2c1nc(C#N)c(Cl)s1 1164342952 VSHJLKMYEZARFB-UHFFFAOYSA-N 289.791 3.925 30 20 CHED Cc1cc(SCc2cccc(F)c2F)ncc1C#N 1187593694 OIKRNPXJCSEUEP-UHFFFAOYSA-N 276.311 3.832 30 20 CHED Cc1cc(C)cc(C=NNCc2ccc(F)cc2)c1 1253080697 ZMBXTBHOJTXPPW-UHFFFAOYSA-N 256.324 3.566 30 20 CHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 1254642686 GAGDCAISCFQXEY-NQBHXWOUSA-N 298.308 3.928 30 20 CHED C[C@H](c1nnc(COc2ccc(C#N)cc2)o1)C1CCCC1 1257686687 JENCTYCPPWAEEL-LBPRGKRZSA-N 297.358 3.814 30 20 CHED Cc1ccccc1CSc1ncc(C#N)cc1F 1306910831 IOCWQGIYVBKFJP-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ncc(C#N)cc1F 1307215457 BHDFWAZNPVJOJZ-GUYCJALGSA-N 295.361 3.865 30 20 CHED N#CCc1cccc(NCc2cnc3ccc(Cl)cn23)c1 1308406142 AAZDWQZKNBDRRI-UHFFFAOYSA-N 296.761 3.666 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc(C(C)(C)C)nn1 1319266034 GINPOKNAKXCVMO-LLVKDONJSA-N 260.385 3.752 30 20 CHED COc1cccc(-c2nc(C=NOC(C)(C)C)cs2)c1 1319579650 XIUFZNBFDYFZQN-UHFFFAOYSA-N 290.388 3.968 30 20 CHED CCCCCCCCNC(=O)c1cnc(C)nc1C1CC1 1321313204 VCXIDBAOSSWFJV-UHFFFAOYSA-N 289.423 3.753 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](CCC=C)c1ccccc1 1322949438 NNNLPVILRXIGHM-GOSISDBHSA-N 296.414 3.749 30 20 CHED COc1ccccc1C1(NCc2cc(C#N)cs2)CCC1 1330807354 BZUWZVUGVZZFDT-UHFFFAOYSA-N 298.411 3.797 30 20 CHED CCN(CCc1cccs1)C(=O)CC#Cc1ccccc1 1332930023 VEGCFPNDVAQSGO-UHFFFAOYSA-N 297.423 3.581 30 20 CHED CC[C@@H](Nc1cc(C#N)cc(Cl)n1)c1c(C)noc1C 1336574691 KEDHXIRPZDOTNC-LLVKDONJSA-N 290.754 3.775 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1sccc1C#N 1341894768 NNUHGELHEUEQAD-JQWIXIFHSA-N 277.393 3.662 30 20 CHED C=CCOCC(=O)Nc1ccc(SC(C)(C)C)c(F)c1 1344389518 HAZWYYXAKILDQJ-UHFFFAOYSA-N 297.395 3.857 30 20 CHED CC(C)(C)ON=C(C[C@H]1CCOC1)c1ccc(F)cc1 1347528733 MYTBQDAXEGBUQH-GFCCVEGCSA-N 279.355 3.772 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](Nc2cc(C#N)ncn2)CC1 1458323583 SFBGYCOHVGUSKF-CHWSQXEVSA-N 272.396 3.755 30 20 CHED CCc1c(C(=O)O[C@H]2CC[C@@H](C#N)C2)oc2ccccc12 1524747812 ZDVRXUDEZURYQU-NEPJUHHUSA-N 283.327 3.844 30 20 CHED CCC[C@H]1CCCC[C@@H]1Nc1cc(C#N)nc(CC)n1 1559096598 RGWMCGLKYRUQKY-JSGCOSHPSA-N 272.396 3.681 30 20 CHED Cc1ccc(COC(=O)c2cc(C#N)ccc2C)cc1F 1584325348 LXUUESBNBLMXRY-UHFFFAOYSA-N 283.302 3.671 30 20 CHED N#Cc1ccc(F)c(NC(=O)C2(c3ccccc3)CCC2)c1 1596928737 RSPFKBNTLDFHGU-UHFFFAOYSA-N 294.329 3.758 30 20 CHED CC[C@H](NC(=O)Nc1cc(C#N)ccc1C)C1CCCC1 1623179280 CSPNXRYOOVIIEP-HNNXBMFYSA-N 285.391 3.957 30 20 CHED N#Cc1cc(C(=O)OC2CCC(F)(F)CC2)ccc1Cl 1623337443 GUNWRZKJHUFECV-UHFFFAOYSA-N 299.704 3.946 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1scc(C)c1C#N 1624564552 RVVUKLICXZNINZ-RYUDHWBXSA-N 291.420 3.876 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 1626379836 OWUSNRBGMVRJMM-UHFFFAOYSA-N 293.301 3.739 30 20 CHED CC(C)C(NC(=O)[C@H](C#N)CCc1ccccc1)C(C)C 1631383336 OYYILQVVLXDAJB-INIZCTEOSA-N 286.419 3.556 30 20 CHED CC[C@H](CNc1ccc(C#N)c(C)n1)Oc1cccc(C)c1 1651389887 GAMNNCNJRKFJNC-MRXNPFEDSA-N 295.386 3.840 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 1669297117 OKUZEEJHKWSPPX-KKUMJFAQSA-N 297.402 3.815 30 20 CHED Cc1ccccc1COC(=O)N1CCc2c(C#N)cccc21 1669865027 IOXAJMYHCFZUCU-UHFFFAOYSA-N 292.338 3.566 30 20 CHED Cc1csc(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1C#N 1671134656 VOXNRSQOJQDJAS-UWVGGRQHSA-N 291.420 3.874 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)c2ccccc2)c1 1672285245 JSZPNMMCBQWNBQ-UHFFFAOYSA-N 265.316 3.535 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(CC)c(Cl)c1 1677366898 VIPQVDXHCDICRA-UHFFFAOYSA-N 273.163 3.776 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2ccc(C(=O)O)cc2)C1 1776012668 JSKLRKRMTGNBKT-QWHCGFSZSA-N 274.364 3.999 30 20 CHED C=CCCC[C@@H](NC/C=C/c1ccc(Cl)cc1)C(=O)O 1776171213 KWDBWHWORDXADW-LLYBFZRZSA-N 293.794 3.752 30 20 CHED CC1(C)OB(/C=C/c2ccc(OC3CC3)cc2)OC1(C)C 2332240119 NRLZXJGSVSAZOW-VAWYXSNFSA-N 286.180 3.872 30 20 CHED C#Cc1cn(C(=O)OC(C)(C)C)c2ccc(F)cc12 2332240434 XGRXKXHFITVUML-UHFFFAOYSA-N 259.280 3.545 30 20 CHED Cc1cccc2c1N=C(O)/C2=N\Nc1ccc(F)cc1F 6673128 BYGJXGJHQBMRJT-UHFFFAOYSA-N 287.269 3.691 30 20 CHED O=C1/C(=C/c2ccsc2)CCOc2ccccc21 102971153 UQRKNEKRLYXBCJ-FMIVXFBMSA-N 256.326 3.797 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)cc1 110718119 LVWKQYNNNZORSN-ZBFHGGJFSA-N 270.376 3.647 30 20 CHED Cc1nccn1-c1ccc([C@@H](C)NCCCCC#N)cc1 178645432 SWVVMEKLENPKFT-CQSZACIVSA-N 282.391 3.525 30 20 CHED CCN(Cc1ccccc1Cl)C(=O)NCCCCC#N 170886765 QMVQZJOJCJFQIE-UHFFFAOYSA-N 293.798 3.565 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1ccc(F)cc1F 57435338 VYIFCQRUNQFGHU-QPJJXVBHSA-N 260.239 3.567 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 177022242 VAHMPIJWECZVCC-WBMJQRKESA-N 288.416 3.873 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(C)cc1 119703844 PKVIZNOFRYBYKU-UONOGXRCSA-N 262.349 3.580 30 20 CHED C=CCN(CCc1ccccc1)Cc1noc(C(C)(C)C)n1 65959507 GTNWWUWIYGZBFW-UHFFFAOYSA-N 299.418 3.598 30 20 CHED C=C(Br)COC(=O)c1ccc(Cl)cc1F 60931029 ZMILJQCLNBGTTJ-UHFFFAOYSA-N 293.519 3.545 30 20 CHED C[C@H](Sc1ncccc1C#N)c1ccccc1F 301085032 JTIPHYVDMHXCCJ-JTQLQIEISA-N 258.321 3.946 30 20 CHED CCOCc1ccccc1C/N=C/c1cccc(OC)c1O 29736801 UHEYKEUHGWYZRO-XDHOZWIPSA-N 299.370 3.556 30 20 CHED N#CCCCCNC(=O)Nc1cccc(CC(F)(F)F)c1 174314400 VBKUWDDUKSYNIE-UHFFFAOYSA-N 299.296 3.607 30 20 CHED CN(C)[C@@H](CNc1c(Cl)cccc1C#N)c1ccco1 301201196 MXZRASIGPXJXBG-ZDUSSCGKSA-N 289.766 3.519 30 20 CHED Cc1cc(Oc2c(C#N)cccc2C#N)ccc1F 302905684 WATWUBMSSNUKMW-UHFFFAOYSA-N 252.248 3.670 30 20 CHED C=CCCC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 176178754 OYCCJLHWYJFOIL-BDJLRTHQSA-N 261.340 3.532 30 20 CHED C=C(C)CCOC(=O)Cc1csc(-c2cccs2)n1 174802613 VLNVFOATRAOTBL-UHFFFAOYSA-N 293.413 3.924 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCO[C@H]1c1ccccc1 301487331 YNSJKBMUYRLAGY-SJORKVTESA-N 282.318 3.639 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)Nc1ccc(C#N)nn1 302011249 WLZMWGBANIEKQX-MRXNPFEDSA-N 280.375 3.856 30 20 CHED Cc1nc(CN(C)c2c(Cl)cccc2C#N)cs1 301376559 ROFFVHZPOAXZRL-UHFFFAOYSA-N 277.780 3.613 30 20 CHED CN(CCc1cccc2ccccc12)c1ccc(C#N)cn1 301150061 ODKBFUWROKTEKE-UHFFFAOYSA-N 287.366 3.785 30 20 CHED C#CCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 172939781 CMVSTHDNPQKDIZ-NWDGAFQWSA-N 296.197 3.627 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2F)c1 302225411 VIJKVSVOFGEFFY-UHFFFAOYSA-N 276.198 3.537 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)/C=C/c2ccc(Cl)cc2)C1 178791779 XTFCBWPPPRPWRS-RDGOESDJSA-N 275.735 3.589 30 20 CHED Cc1cc(C)cc(N/C(N)=N/Cc2cc3ccccc3o2)c1 303904629 YXBIWFWLTYHQLW-UHFFFAOYSA-N 293.370 3.976 30 20 CHED Cc1cc(Oc2ccc(Cl)c(C#N)n2)ccc1[N+](=O)[O-] 301516697 KABPWPHKIYDZTQ-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=C(Br)CN1CCC(C(C)(C)C)CC1 307484414 APEMPWFOHWPBHR-UHFFFAOYSA-N 260.219 3.653 30 20 CHED COc1cccc(C(=O)/C=C/c2cccnc2Cl)c1 171536534 CRHXWMMGFJJBOC-BQYQJAHWSA-N 273.719 3.640 30 20 CHED C=C(C)COc1cccc(NCc2ccccn2)c1 129256100 DGJHVOLDIWVMJX-UHFFFAOYSA-N 254.333 3.649 30 20 CHED N#Cc1cc(NC/C(Cl)=C/Cl)ccc1Cl 308872912 LOKZDTKPDZLGHH-YWEYNIOJSA-N 261.539 3.943 30 20 CHED CC(C)(C)c1csc(NC(=O)c2cccnc2)c1C#N 75296955 LYLCKYUPUXELMO-UHFFFAOYSA-N 285.372 3.565 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2cccc(F)c2C#N)c1 188600162 HZZIDQGUUAQXKG-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](CC)c1c(C)noc1C 180995170 BNMIVVMCPHIUGW-SMDDNHRTSA-N 293.411 3.787 30 20 CHED C[C@@H](CC(=O)N(CC#N)c1ccccc1)c1ccccc1 78382529 QONMPCPPYNKCKM-HNNXBMFYSA-N 278.355 3.737 30 20 CHED Cc1[nH]c2ccccc2c1CCN[C@@H]1CCC[C@H](C#N)C1 185809341 JPMAXVQUMIPZPB-LSDHHAIUSA-N 281.403 3.691 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](SCC)C(C)C 182603245 BEDFAWAYVDJIGZ-CHWSQXEVSA-N 257.443 3.625 30 20 CHED C=CCC[C@H](NCc1c(CC)noc1CC)C1CC1 121611717 IEXNOTJRBGZBEF-HNNXBMFYSA-N 262.397 3.634 30 20 CHED C[C@@H](NCC1(C2CC2)CCC1)c1ccc(OCC#N)cc1 182059099 FVHVCQGQYDUPAH-CQSZACIVSA-N 284.403 3.820 30 20 CHED C=CCN(C(=O)C(C)C)c1nc(-c2ccccc2)cs1 128337451 ZUJUVFAZFQXHSP-UHFFFAOYSA-N 286.400 3.985 30 20 CHED C=C(C)CCN1CCN(CCC(=C)C)[C@H](CCC)C1 509005456 CSMOIUCHTCUHKS-QGZVFWFLSA-N 264.457 3.705 30 20 CHED Cc1cc2c(F)c(OCC3(C#N)CCC3)ccc2[nH]1 418972595 ZDSZAQKJWOQSAB-UHFFFAOYSA-N 258.296 3.688 30 20 CHED N#Cc1ccc(NCCC2CCOCC2)cc1C(F)(F)F 313866699 NBKBUECFDOHZRT-UHFFFAOYSA-N 298.308 3.806 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CNCc1cccc(C#N)c1 479395607 HVVMTICAMQFDPX-RHSMWYFYSA-N 254.377 3.640 30 20 CHED N#Cc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1 33559353 RECUNTTXDNTGPN-UHFFFAOYSA-N 253.692 3.755 30 20 CHED C=CCC[C@@H](NC[C@H]1CCN(c2ccccc2)C1)C1CC1 120118725 FNZPADUZUJQSCK-VQIMIIECSA-N 284.447 3.847 30 20 CHED C=C(C)[C@@H](NCc1cccn1C)c1ccc(F)c(F)c1 187371962 ZEDJVOMUYIZSHL-MRXNPFEDSA-N 276.330 3.710 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(C)nc1)c1ccccc1 188722194 AOXIZEPUSDHDBQ-MRXNPFEDSA-N 266.344 3.688 30 20 CHED COC(=O)[C@@H](Sc1ccc(C#N)cc1)c1ccccc1 505877228 QGGBQBJWEZRZBK-HNNXBMFYSA-N 283.352 3.565 30 20 CHED C[C@@]1(CNc2ccc(Cl)cc2C#N)CCCS1 126024203 UQBUJBJMJPUGLU-ZDUSSCGKSA-N 266.797 3.909 30 20 CHED CCc1ccc(C(=O)/C=C/c2scnc2C)s1 78693281 QMVPIKTUECWFGK-FNORWQNLSA-N 263.387 3.972 30 20 CHED Cc1nc(-c2nc(-c3cccc(Cl)c3)no2)ccc1C#N 74119027 CMQYFGDBXJQKKP-UHFFFAOYSA-N 296.717 3.632 30 20 CHED CCOc1cccc([C@H](C)NCc2ccc(F)c(C#N)c2)c1 180678667 ITHITEQJVOPMAV-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED CCc1cc(O)nc(CS[C@@H](C)c2ccc(C#N)cc2)n1 125555950 MNLRIDIMEDVTTI-NSHDSACASA-N 299.399 3.611 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1CC[C@@H](C)C1 128561010 YGWGPMFRHHXOGP-HUUCEWRRSA-N 264.413 3.601 30 20 CHED CCc1oc2ccccc2c1CN1CCC(C#N)CC1 123707208 YOIUFEZPCSPMIG-UHFFFAOYSA-N 268.360 3.731 30 20 CHED N#C[C@H](C(=O)C1(Cc2ccccc2)CCC1)c1ccccn1 124515571 HQGZOUJGPBPFEM-INIZCTEOSA-N 290.366 3.671 30 20 CHED N#CCc1cccc(NCc2ccn(-c3ccccc3)n2)c1 313456310 YCAIXLUAOMQSQU-UHFFFAOYSA-N 288.354 3.550 30 20 CHED C=CCCCN(CCO)Cc1ccc(Cl)c(Cl)c1 502542988 HUKDOMMUPIMAGG-UHFFFAOYSA-N 288.218 3.754 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cc2ccccc2s1 446925737 RNAFEJFWJLLRLZ-STQMWFEESA-N 275.417 3.737 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C12CCC(CC1)C2 413988923 PWBWHMDUHJIHMA-HFCFLWKCSA-N 283.415 3.870 30 20 CHED C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H]1C 135272463 IOPVIPMOVSCPGG-UONOGXRCSA-N 256.393 3.718 30 20 CHED N#Cc1ccc(CNCc2ccccc2Cl)s1 135666049 SPQSQDWYNGVQEK-UHFFFAOYSA-N 262.765 3.563 30 20 CHED CCSc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccn1 187789018 OWJLMHSVAFZOIE-ZDUSSCGKSA-N 297.427 3.916 30 20 CHED CS[C@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N 410929710 OCINFUJYLUOTID-MRVPVSSYSA-N 282.434 3.607 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2cc(F)cc(C)c2C1 500711981 BZVDNJKPDJRQJW-UHFFFAOYSA-N 287.378 3.787 30 20 CHED C[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 75275868 TYIYCDWZJVCPOS-WWGRRREGSA-N 270.376 3.562 30 20 CHED COc1ccc(CCCNCC(C)(C)CCC#N)cc1 174296397 TXNCLVLNGDQRBT-UHFFFAOYSA-N 274.408 3.547 30 20 CHED N#Cc1cc(Cl)ccc1N1CC[C@@H](c2ccco2)C1 609512874 YUFADNCMUDSNMQ-LLVKDONJSA-N 272.735 3.799 30 20 CHED CC(C)N(C)c1ccc(NCc2ccc(C#N)o2)cc1F 135561239 NPCKNCWKTUNCKV-UHFFFAOYSA-N 287.338 3.747 30 20 CHED Cc1ccc([C@@H](C)NCCCC(C)(C)C#N)cc1[N+](=O)[O-] 181813681 KUBACNBHEQXLOS-CYBMUJFWSA-N 289.379 3.884 30 20 CHED CC(C)COc1cccc(CNCC2(C#N)CCC2)c1 418140684 JYOBSUCCEWUXMY-UHFFFAOYSA-N 272.392 3.505 30 20 CHED CCCOc1ccc2c(c1)CCN(CCCCC#N)C2 134519008 HYEFXOMDSKJWRC-UHFFFAOYSA-N 272.392 3.527 30 20 CHED C=CCOc1ccc(CNc2ncnc3sccc23)cc1 505752163 YTMOPUHGSJXZCV-UHFFFAOYSA-N 297.383 3.868 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](CCC)NC(C)C)CCCC1(C)C 509094834 QUMXVWNBLKNJQH-HZPDHXFCSA-N 294.483 3.746 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 132290538 GOGWUESMHJRUOH-LBPRGKRZSA-N 299.330 3.589 30 20 CHED N#Cc1cccc(CNc2c(F)cc(F)cc2F)c1 88720062 NJSWCYHSUYVBQI-UHFFFAOYSA-N 262.234 3.588 30 20 CHED Cc1noc2ncc(/C(O)=N/[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc12 328920135 STVZBPDMJNCSFT-XVSYOHENSA-N 299.374 3.661 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(OC)ccc1Cl 191015380 GLHQLGCIEGGEFB-CQSZACIVSA-N 267.756 3.889 30 20 CHED C#CCCCC(=O)N(C)c1ccc(Br)cc1C 192227544 GOPZECYZQTWMMP-UHFFFAOYSA-N 294.192 3.524 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2cc(Cl)ccc21 424835216 LMAVKAXWUJHHKB-UHFFFAOYSA-N 263.768 3.831 30 20 CHED CC(C)CCN(C(=O)c1cccc(C#N)c1)C1CCCC1 83946190 NIVMBCIZXKZSGP-UHFFFAOYSA-N 284.403 3.989 30 20 CHED CCN(Cc1cccc(Cl)c1)[C@H]1CC[C@@H](C#N)C1 429707765 HLKYEGFTDSTKOG-DOMZBBRYSA-N 262.784 3.854 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)O[C@H](C#N)C1CC1 130667798 JUZSNVCXZLGSTF-JKEYDSJLSA-N 275.735 3.589 30 20 CHED CCCOc1cc(C)ccc1NC(=O)N(C)[C@H](C)CC#N 86283309 LPWGUFGFRZXDBC-CYBMUJFWSA-N 289.379 3.550 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccnc1Cl 178406810 VNOJDRHSHZNROS-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C=CCN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 46087140 YUPASNROGIKNBP-UHFFFAOYSA-N 285.431 3.966 30 20 CHED N#CCc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 49652446 NABAAYPHFROETM-UHFFFAOYSA-N 296.395 3.619 30 20 CHED C=CCCCCCN(C)Cc1oc(CC)nc1C 428246508 NYMSTTLRINHJPJ-UHFFFAOYSA-N 250.386 3.724 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCc2ccccc21 338280267 YXHHEGFQTILFOW-ZDUSSCGKSA-N 293.326 3.608 30 20 CHED C[C@@H]1CCN(Cc2ccc(Cl)cc2C#N)CCS1 192185182 XEXNHJGPXCUDFT-LLVKDONJSA-N 280.824 3.539 30 20 CHED CC(C)O[C@H](CN(CCC#N)CC1CC1)c1ccccc1 428251280 YZKYGOLTFVVQBT-GOSISDBHSA-N 286.419 3.778 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)[C@@H]2CCCN2c2ccccc2)o1 330241789 WFZVLJMIEVXXLS-ZFWWWQNUSA-N 299.374 3.670 30 20 CHED C#CCCCC(=O)Nc1cccc(CC(F)(F)F)c1 192142220 IFGQYRPMBNNBOO-UHFFFAOYSA-N 269.266 3.533 30 20 CHED CC(=O)Nc1cccc(N[C@@H]2CCc3ccc(C#N)cc32)c1 336003704 YRMPECDJKFCSEH-GOSISDBHSA-N 291.354 3.616 30 20 CHED Cc1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)cc1 426149986 SDHLEXODGPTKCI-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C=C[C@H](C)/N=C(/O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 330931408 UAIZYEHZNJWXGG-GWCFXTLKSA-N 276.380 3.680 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccccc2F)no1 519225545 PXKANMUAYZMLQX-HNNXBMFYSA-N 260.312 3.653 30 20 CHED C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccncc1F 338019033 PEZZXEZCMKJBAE-GHMZBOCLSA-N 287.313 3.643 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(Cc3ccc(C#N)cn3)C2)cc1 514871639 XWTVVTLVKPZKHM-QAPCUYQASA-N 291.398 3.640 30 20 CHED N#CCc1ccc(C(=O)Nc2cccc(F)c2Cl)cc1 335995018 WUBHOCOYHHITQV-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC(C)(C)[C@H]2C(C)C)c1 332467679 QZJBDYKOZXZBGL-OAHLLOKOSA-N 285.391 3.765 30 20 CHED CSc1ccccc1[C@H](C)NC(=O)c1ccc(C#N)cc1 337157844 QQTXUCDUPKWAEW-LBPRGKRZSA-N 296.395 3.771 30 20 CHED N#CCc1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1 338618254 VHBPNTZNWJBWDT-UHFFFAOYSA-N 286.281 3.943 30 20 CHED CCC(CC)(CNc1snc(C)c1C#N)SC 232999480 OFUGTSHEACJBQZ-UHFFFAOYSA-N 269.439 3.657 30 20 CHED CC(C)(C)CC/N=C(/O)N[C@H]1CCCc2occc21 330381491 NNCGRFWRKZRCKB-LBPRGKRZSA-N 264.369 3.597 30 20 CHED CC(C)c1ccoc1C(=O)N[C@H](C)c1ccc(C#N)cc1 339849413 CFXYAOHWYSUSIJ-GFCCVEGCSA-N 282.343 3.766 30 20 CHED C[C@H](CC1CCCC1)C(=O)NCC#Cc1cccc(F)c1 513214240 LZGLCRIBTGFUJK-CQSZACIVSA-N 287.378 3.510 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(O)cc1OCCC 430471007 NFYKUSZBBVHPRY-INIZCTEOSA-N 277.364 3.722 30 20 CHED N#Cc1ccc(Cl)cc1OCC#Cc1ccc(F)cc1 433390009 YUFMUCRIGYYLBM-UHFFFAOYSA-N 285.705 3.781 30 20 CHED N#Cc1csc(CNc2cnn(-c3ccccc3F)c2)c1 92845290 GMUILPDJBVOZNF-UHFFFAOYSA-N 298.346 3.557 30 20 CHED C=CCCC(=O)Nc1cnc(-c2ccccc2)s1 91774380 KLDKLEBVGRKCGX-UHFFFAOYSA-N 258.346 3.715 30 20 CHED CCCCn1ncc(N=C(O)N2CCC[C@H](C)[C@@H]2C)c1C 330611725 QGNDRUAJPYBWMM-STQMWFEESA-N 292.427 3.658 30 20 CHED C=CCOCCCN1CC[C@@H](c2ccccc2)C[C@@H]1C 439332511 SYZSNZDVDMNCML-FUHWJXTLSA-N 273.420 3.847 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 434013366 CAMHWWWBOSJSGE-KGLIPLIRSA-N 278.440 3.990 30 20 CHED CC#CCCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 248387231 AOTWXQSTNVMHDF-HZPDHXFCSA-N 291.460 3.830 30 20 CHED CC(C)(CCC#N)CN1CCS[C@@H]2CCCC[C@H]21 245712000 GEAGYXPVCNLHIT-ZIAGYGMSSA-N 266.454 3.676 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(C2CCC(C)CC2)no1 346246968 FWZVTJDQLBQDKW-NWINJMCUSA-N 276.380 3.812 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(C(C)(C)C#N)cc1 345943142 DKBKVVGFMGENFH-UHFFFAOYSA-N 297.402 3.548 30 20 CHED Cc1cc(N2C[C@H]3CC[C@H]2c2ccccc23)cc(C#N)n1 343160122 UNDYHZRMAJWTKY-ACJLOTCBSA-N 275.355 3.700 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 346861906 YZVAKCABKVBXDW-KRWDZBQOSA-N 269.388 3.531 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc(F)cc2C(F)(F)F)C1 349846486 BRJQYLKTXZIKDJ-SKDRFNHKSA-N 286.272 3.626 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OCCC)cc1 439441002 PHHDBHWXAYXNHC-CYBMUJFWSA-N 276.380 3.952 30 20 CHED O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccccn1 247758685 YYMWWDOTFBGJLR-UHFFFAOYSA-N 298.345 3.734 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccccc1OC(F)F 430760194 INABDJZVXMLSIX-NSHDSACASA-N 280.318 3.632 30 20 CHED C[C@@H](CCC#N)CN[C@@H](c1cccc(F)c1)c1ccccn1 602578344 DGYSHQKCKQEKLA-KSSFIOAISA-N 297.377 3.840 30 20 CHED C=CCOCCCN1CCC[C@@H]1c1cccc(F)c1 347958911 DCBSTLDOEXBDGE-MRXNPFEDSA-N 263.356 3.555 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(F)cc2C)c1 255130314 WEQCMWVIIARLRC-CLFYSBASSA-N 297.329 3.989 30 20 CHED N#C[C@H]1CC[C@H](NCc2csc(-c3ccccc3)n2)C1 349789977 MQFOGGVKGYGRMB-JSGCOSHPSA-N 283.400 3.592 30 20 CHED N#Cc1ccccc1CON=Cc1ccc(Cl)cc1 255324066 SUFCJWHHFYELGY-UHFFFAOYSA-N 270.719 3.762 30 20 CHED C=CCCCCNC(=O)Nc1nc(C2CCC2)cs1 442065562 ZNUTVIDDRDIQTB-UHFFFAOYSA-N 279.409 3.888 30 20 CHED CCN(CC)Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 442861225 SZINYNYXAVBRRW-NVXWUHKLSA-N 271.408 3.633 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 268310449 WPTCGGNUVRQKAK-INIZCTEOSA-N 287.378 3.910 30 20 CHED C[C@H](C1CCC1)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 356959306 JFFBSPBNKPOVAO-PBHICJAKSA-N 299.418 3.861 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(Cc3ccccc3)CCC2)C1 442831724 WWCGSQYOGYALBC-DLBZAZTESA-N 268.404 3.681 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccnc(C2CC2)n1 351603173 VTBZYHDWDAVUGP-UHFFFAOYSA-N 299.418 3.563 30 20 CHED CN(C)[C@@H](CNC1CCC(C)(C#N)CC1)C1CCCCC1 449082019 JSRBXEQJWHURHT-ADKAHSJRSA-N 291.483 3.559 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCCc3sccc32)C1 617783270 WXUUKCZYESJLGH-ZFWWWQNUSA-N 289.444 3.983 30 20 CHED C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccccc1 533289159 WPHDZGVEGZFWFB-OAHLLOKOSA-N 274.408 3.692 30 20 CHED CCCN(C(=O)CCc1ccc(C#N)cc1)C(C)(C)C 444482619 RPBAPACUGIRITL-UHFFFAOYSA-N 272.392 3.528 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 535610564 PYVQXWWNIUFHER-WWGRRREGSA-N 264.413 3.647 30 20 CHED C=CCC1(NC(=O)C[C@H](C)c2ccncc2)CCCC1 619108285 RGHWIBTUNILHJV-AWEZNQCLSA-N 272.392 3.580 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc3nc(O)[nH]c3c2)no1 356947345 CNXBBVFOOPWIOV-UHFFFAOYSA-N 296.330 3.554 30 20 CHED N#Cc1nnc2ccccc2c1NCCCc1cccs1 539888255 BFHRDFZUBUERQP-UHFFFAOYSA-N 294.383 3.608 30 20 CHED COC1CCC(C)(CN[C@H]2CCc3ccc(C#N)cc32)CC1 353623101 FJRXLEHDEZIHCL-AVAKVYKDSA-N 298.430 3.730 30 20 CHED C=CCCCC[C@H](C)NC[C@@]1(C)CCO[C@H]1C1CC1 449254523 YLYWITAHAAONRH-BHYGNILZSA-N 265.441 3.916 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H](C)c2ccccc2)C1 617788500 KGDJLMBRAJRURZ-JKSUJKDBSA-N 271.404 3.995 30 20 CHED CC(C)[C@H](C(=O)Nc1cc(CC#N)ccn1)c1ccccc1 532180676 UQVBDEBCSPCXEG-KRWDZBQOSA-N 293.370 3.526 30 20 CHED CC(C)C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)N(C)C 611390650 MTEMMHMELGLPAL-MJGOQNOKSA-N 299.462 3.502 30 20 CHED C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1cccs1 619582717 VDXBBEXCQBAGJA-UKRRQHHQSA-N 298.411 3.698 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)CCCC1 450309439 SZAXZCSERYFJCF-GJZGRUSLSA-N 293.451 3.833 30 20 CHED C=CCC1(NC(=O)c2cccc3oc(C)nc23)CCCC1 619110331 DCPPTHKVRXTMAV-UHFFFAOYSA-N 284.359 3.755 30 20 CHED C=CCC[C@@H](NC(=O)Cc1occc1C)c1ccccc1 612708320 LFGZJUNTZQLEJF-MRXNPFEDSA-N 283.371 3.954 30 20 CHED CC[C@]1(C)CCCN(Cc2cn3ccccc3c2C#N)C1 362383846 CCBCOHYXTPBQDQ-GOSISDBHSA-N 281.403 3.823 30 20 CHED CCOc1cc(C)ccc1CNCc1ccc(C#N)cc1F 532565545 AEXQYZYOACDEEK-UHFFFAOYSA-N 298.361 3.694 30 20 CHED CC#CCCCC(=O)Nc1cccc(OC(C)C)c1 452677156 OSIDUHYRPAHHLS-UHFFFAOYSA-N 259.349 3.606 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)NCc1ccc(C#N)cc1 272078514 QRMFTOVUKJFSLQ-UGSOOPFHSA-N 298.361 3.563 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@](C)(C#N)C1 612240886 UQEKWQJANPHFIQ-QFBILLFUSA-N 298.430 3.798 30 20 CHED C#CCn1cnc(-c2ccccc2)c1NC(=O)CC(C)(C)C 363370318 FVLYCTIUMAXUFF-UHFFFAOYSA-N 295.386 3.558 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@@H](CC(C)C)C1 549681405 OMOQDBXOYZBIIN-HNNXBMFYSA-N 290.455 3.679 30 20 CHED Cc1ccoc1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452659212 YRFBZPRQPWLMQY-UHFFFAOYSA-N 298.342 3.889 30 20 CHED COCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 611389377 VAKSTKFVRFDFBW-HNAYVOBHSA-N 294.398 3.987 30 20 CHED CC[C@@H](Nc1cc(C)n(CCC#N)n1)c1ccccc1 271017966 LHFAMMJUGUAVMP-OAHLLOKOSA-N 268.364 3.668 30 20 CHED Cc1ccc2c(c1)CN(c1ccc(F)cc1C#N)C2 360276536 XQJYRDLSLJYYNH-UHFFFAOYSA-N 252.292 3.526 30 20 CHED C[C@H](CCC#N)N(C)Cc1cccc(OC(F)(F)F)c1 276355279 XHLSLKVDJYIOKX-LLVKDONJSA-N 286.297 3.709 30 20 CHED C=CCC1(C(=O)N2CCCc3ccccc3CC2)CCC1 456307142 DYZJFOJQWJZJQY-UHFFFAOYSA-N 283.415 3.750 30 20 CHED C[C@H](NC[C@H](c1ccsc1)N(C)C)c1ccc(C#N)cc1 271900613 VOWNJGMCEKLWOP-SUMWQHHRSA-N 299.443 3.573 30 20 CHED C=CCN(C(=O)c1oc(CCC)nc1C)c1ccccc1 459934899 UFTQYPOIHJVVJV-UHFFFAOYSA-N 284.359 3.768 30 20 CHED CCN(CCC#N)C(=O)C1(c2cccc(C)c2)CCCC1 270968921 BXQZSTFGBLNKNS-UHFFFAOYSA-N 284.403 3.569 30 20 CHED C=CCSc1ccccc1C(=O)NCCc1ccco1 362391713 XSTXVDSCMXHVGX-UHFFFAOYSA-N 287.384 3.530 30 20 CHED CC[C@H](C)n1ncc(Nc2cccc(C#N)c2[N+](=O)[O-])c1C 450478186 DVFGKWZWKUYISG-JTQLQIEISA-N 299.334 3.686 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccncc2F)CCCCC1 451517109 IBNRSJCGONAJAM-CYBMUJFWSA-N 290.382 3.925 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@H](C)C1 549706530 RYTHODVLYACOQP-ZIAGYGMSSA-N 288.439 3.604 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC[C@H](C)c1ccccc1 275382825 BPBOTNMOJRUYCE-YJBOKZPZSA-N 289.419 3.525 30 20 CHED C=C(C)[C@H](Cc1nc(-c2cc(F)cc(F)c2)no1)OCC 273674828 HLGRNDYDZLEZDM-ZDUSSCGKSA-N 294.301 3.539 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 375901327 MBUJTOUEBZCUPO-JLJPHGGASA-N 288.366 3.518 30 20 CHED Cc1ccnc(NC[C@@H](Nc2ccccc2)C(C)C)c1C#N 543139005 SPLSCVFZVKQMNG-QGZVFWFLSA-N 294.402 3.810 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 462641995 SQYWVYYIYVWSMG-JKSUJKDBSA-N 292.382 3.936 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C 548616401 KNNVJSWTXKKBPV-JTNHKYCSSA-N 290.794 3.766 30 20 CHED C=CCN(C(=O)c1cccc(OC(F)F)c1)C(C)(C)C 622942442 LQWWQHOJSPQJAS-UHFFFAOYSA-N 283.318 3.715 30 20 CHED C=C(C)CN(CC)Cc1ccc(C)cc1-c1cnn(C)c1 549383971 IQAZSUKDFJETLK-UHFFFAOYSA-N 283.419 3.794 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(C)(C)C 622943170 QQBMJGKOANXBME-LSDHHAIUSA-N 275.367 3.742 30 20 CHED C=CC[C@@H](CC)Nc1ncnc2oc(C)c(C(C)=O)c12 281039494 PGJMAYQMGOJACM-LLVKDONJSA-N 273.336 3.500 30 20 CHED C=CCC[C@H](NCC(F)(F)c1cccc(OC)n1)C1CC1 556924274 QLXANNIUCZXFGX-ZDUSSCGKSA-N 296.361 3.516 30 20 CHED C=CC[C@H](C)NS(=O)(=O)c1ccc(C(C)(C)CC)cc1 466883172 ZUCUPJZBEKYTOQ-ZDUSSCGKSA-N 295.448 3.617 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2CC)cc1 465044674 WNZPADXSJYXKSC-BBRMVZONSA-N 273.376 3.560 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)c1ccc(OC)cc1 464517407 DXYXLMBLTUUNCB-NVXWUHKLSA-N 287.403 3.756 30 20 CHED CCC1(CC)CN(c2ccc(Cl)c(C#N)n2)CCS1 463736574 WODOUQRMGKKDLB-UHFFFAOYSA-N 295.839 3.719 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H](CC)CC1 466377182 BUSQPBGFDXUFLB-KGLIPLIRSA-N 252.402 3.563 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 285009000 GGFLLEXKRYCKQP-AWEZNQCLSA-N 298.308 3.604 30 20 CHED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)c1ccccc1 460793281 NWHWNFBZNUKZFZ-UHFFFAOYSA-N 293.374 3.617 30 20 CHED Cc1ccccc1[C@@H]1CCCN1c1ccnc(C#N)c1 283616775 SGOMSEKMBLDKFS-KRWDZBQOSA-N 263.344 3.603 30 20 CHED C=CCOc1ccc(CNC(=O)c2ccc(C)cc2F)cc1 552584501 IWAZHYPTCMMDFM-UHFFFAOYSA-N 299.345 3.629 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)c2ccc(F)c(C#N)c2)c1 551581503 HEQJCAGWRSDNPR-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED C[C@H]1COCC[C@@H]1CNc1ccc(C#N)cc1C(F)(F)F 553650353 YFQLDYRPKUNTRQ-CMPLNLGQSA-N 298.308 3.662 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NCc1ccc(C#N)cn1 554078371 IJPOHFRGOSJYLA-NVXWUHKLSA-N 271.408 3.648 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)N=c1[nH]ccc(C#N)c1Cl 553486144 QJQJUGCWBCEJKK-VXGBXAGGSA-N 285.778 3.633 30 20 CHED C=CC(C)(C)c1nc([C@@H](OC)c2ccccc2Cl)no1 296650628 DKNGCXUYZSYNLJ-LBPRGKRZSA-N 292.766 3.922 30 20 CHED C=CCC[C@@H](C)NC[C@H]1CCO[C@@H]1c1ccccc1 477949659 QIQIYUUKIKOABK-DJIMGWMZSA-N 259.393 3.709 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1 294560106 ZDLHXGYAHLRCKO-AWEZNQCLSA-N 297.354 3.515 30 20 CHED CC#CCCNC(=O)c1coc2ccc(C(C)C)cc12 553460706 VAYOHOITVPILIB-UHFFFAOYSA-N 269.344 3.699 30 20 CHED COc1ccc([C@H](N[C@H]2CC[C@@H](C#N)C2)C(C)C)cc1 471583365 YPLMSTDGGBSVKK-UKPHBRMFSA-N 272.392 3.674 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 474574099 BTCNIIOIJQNBSK-NOLJZWGESA-N 290.382 3.726 30 20 CHED C=CCOc1ccccc1-c1nc(C2CC(F)(F)C2)no1 296296835 DJNWXUUMAIFBDG-UHFFFAOYSA-N 292.285 3.814 30 20 CHED C=CCCCCNC(=O)Nc1cccc(C(=O)CC)c1 473741903 IGYHJFKSZFYVNQ-UHFFFAOYSA-N 274.364 3.757 30 20 CHED N#Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1Cl 297971445 YFNZSNPDHAQKRL-MRXNPFEDSA-N 299.761 3.624 30 20 CHED C=CCCCCNC(=O)c1cc(C)n(C(CC)CC)n1 471718864 VOTRUKZRKRNFFJ-UHFFFAOYSA-N 277.412 3.639 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cccc(-c2ccccn2)c1 802841962 ROPVJVHQZUQQSR-GOSISDBHSA-N 294.354 3.732 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 297940135 AIBHGWYNBZTOFC-QWRGUYRKSA-N 286.297 3.928 30 20 CHED CC(=NN[C@@H]1CCSC1)c1ccc(Cl)cc1Cl 808004178 HWDOFCSXUHPGBW-SNVBAGLBSA-N 289.231 3.813 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCSc2ccccc21 294372372 NJNBCYGQPYZKJP-GFCCVEGCSA-N 261.390 3.552 30 20 CHED C#Cc1ccc(CNC2(Cc3ccccc3)CC2)cc1 809642262 FLAXITWOPBCMQS-UHFFFAOYSA-N 261.368 3.533 30 20 CHED CCC[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 474696525 RNJJWQQHYUTPPE-CXAGYDPISA-N 272.392 3.952 30 20 CHED C=CCCCCCCNC(=O)c1ccc(N(C)C)cc1 807776177 ZSBWSWZFHHLWLK-UHFFFAOYSA-N 274.408 3.619 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCCCS2)CCCC1(C)C 470278566 GCMXLROPFNJNPK-KGLIPLIRSA-N 281.465 3.865 30 20 CHED CCN(CCC(=O)C(C)C)[C@H](C)c1ccc(C#N)cc1 808711447 HGFMRWHJNKJOOC-CQSZACIVSA-N 272.392 3.556 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCCc1ccc(F)cc1Cl 569750319 BKUSKBOMSPFKRX-BBRMVZONSA-N 297.801 3.592 30 20 CHED C=CCCCCNC(=O)[C@H](C)Oc1ccc(F)cc1Cl 471716698 XFEVPMFSYJIDJM-NSHDSACASA-N 299.773 3.719 30 20 CHED CC(C)c1cccc(CNC[C@@H](O)c2ccc(C#N)cc2)c1 819241329 OIYKRZAVKBKDOY-LJQANCHMSA-N 294.398 3.505 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(-n2cccn2)cc1C 653015294 ADFXXOQHLXFVJW-UHFFFAOYSA-N 298.390 3.514 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc2c[nH]nc12)c1ccccc1 487815016 DCMKCCTUBGFKOO-OAHLLOKOSA-N 291.354 3.861 30 20 CHED C=CCCCCCCCNC(=O)Cc1cccc(O)c1 811589678 CBJYDQYOVYGUTL-UHFFFAOYSA-N 275.392 3.578 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 812393558 PDXZCANVCPRFMO-STQMWFEESA-N 298.361 3.751 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCc1cccs1 488869574 LRHWSDWKXUCFGQ-CYBMUJFWSA-N 263.406 3.638 30 20 CHED COc1cc(Cl)ccc1C(C)=NOCCOC(C)C 817329289 UYFJEDTWUBSNCG-UHFFFAOYSA-N 285.771 3.514 30 20 CHED Brc1cc(NN=C2CC[C@@H]2C2CCC2)ccn1 814904809 ZVYSAQNEUHHJHZ-LLVKDONJSA-N 294.196 3.822 30 20 CHED CC#CCCNC(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 483426386 CXESGFUMMCGSGT-WMZOPIPTSA-N 298.430 3.625 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)c1ccc(Cl)cc1 651351463 GFHJFMRDYIVTEG-QWRGUYRKSA-N 251.757 3.524 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1CC1CCCCC1 483428466 OBGFJWDYMYGXDB-MRXNPFEDSA-N 276.424 3.544 30 20 CHED C=CCCC(C)(C)NCc1cc(OC)c(OC)cc1F 657806607 ODOCWUVOLMQJTA-UHFFFAOYSA-N 281.371 3.677 30 20 CHED C=CCCC(=O)OCc1nc(-c2cccs2)oc1C 726652321 NOPOBAMDBMDUJU-UHFFFAOYSA-N 277.345 3.721 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)cc1 481742150 MWMXMEILSZOVCT-LBPRGKRZSA-N 297.333 3.889 30 20 CHED CC(C)(CNC(=O)c1ccc(C#N)s1)Cc1ccccc1 487046098 MDGNJBDBTJTORC-UHFFFAOYSA-N 298.411 3.618 30 20 CHED C#C[C@@H](NC(=O)N1CCCCC[C@H]1c1ccco1)C(C)C 821567257 JHBOHAFNEYCOQZ-CABCVRRESA-N 288.391 3.564 30 20 CHED C=C(C)CCNCc1sc2nc(C)nc(C)c2c1C 824743959 SWTPXUYKZFXLHI-UHFFFAOYSA-N 275.421 3.672 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H](C)CC2CC2)c1 497771546 NTRQPNKRJNMCBR-ZDUSSCGKSA-N 288.391 3.952 30 20 CHED C#CCCOC(=O)CCc1cccc(OC2CCCC2)c1 727954663 DBCSUROFSMQRHR-UHFFFAOYSA-N 286.371 3.507 30 20 CHED C=CCn1c(Nc2ccc(OC)cc2)nnc1C1CCCC1 574616533 ZYYJLOIBHXJJRB-UHFFFAOYSA-N 298.390 3.874 30 20 CHED CC[C@@H](/N=C/c1c(O)cccc1OC)c1nc(C)cs1 729641796 XZLCTIRCCDMALB-GGNJANJASA-N 290.388 3.736 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)CSc2ccc(C#N)cc2)C1 728455495 SIRWARVJIFCPMC-OCCSQVGLSA-N 289.400 3.772 30 20 CHED C=C(C)C(C)(C)C(=O)OCCCCC(F)(F)F 820925877 FRQQVPHFENPXSM-UHFFFAOYSA-N 252.276 3.865 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1n[nH]c(-c2ccc(C)o2)c1C 822519727 MVIPAAZHTMRLSX-LBPRGKRZSA-N 287.363 3.827 30 20 CHED C(=NNc1nc(-c2ccccc2)no1)C1CCCCC1 726739439 MFYWHDNGXOGOIY-UHFFFAOYSA-N 270.336 3.715 30 20 CHED C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(C#N)s1 494854132 RLYJWIWFSIXEOE-JLHYYAGUSA-N 296.395 3.795 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C(=O)C#Cc1cccs1 826528735 JGSQYXXWADXKEW-MRXNPFEDSA-N 297.423 3.579 30 20 CHED CCCCCCCNC1C[C@@H]2CC[C@H](C1)N2C1CC1 903131615 JFVLNVYHKMYZFN-ZXFUBFMLSA-N 264.457 3.704 30 20 CHED N#Cc1sccc1C(=O)NC[C@H]1CCCCC(F)(F)C1 908335603 AAPQTJYPMYGPBC-JTQLQIEISA-N 298.358 3.565 30 20 CHED C=CCCNC(=O)N1CCC[C@H]1Cc1ccccc1Cl 661572108 HCXIEHVGXPBPAQ-AWEZNQCLSA-N 292.810 3.633 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)CC1CC=CC1 660541389 WOTVDMCDPFFKLD-UHFFFAOYSA-N 273.424 3.808 30 20 CHED CC(C)CC(C)(C)C(=O)N1CCC(CCC#N)CC1 581134250 SNDRJWGYPBDYJA-UHFFFAOYSA-N 264.413 3.601 30 20 CHED C=CCCCC[C@H](C)NCC1(C(=O)O)CCCCC1 901784501 SYJKWPCJEHJPCV-AWEZNQCLSA-N 267.413 3.746 30 20 CHED COc1ccc(/C=C\C(=O)Nc2cc(C#N)ccc2C)cc1 492037027 BEBFHJQQWFMIMR-YFHOEESVSA-N 292.338 3.527 30 20 CHED CCCCCCCCCN(C)c1ncnc2c1ncn2C 731982637 YLMXTBUSNTZGNK-UHFFFAOYSA-N 289.427 3.550 30 20 CHED N#Cc1sccc1-c1ccc2c(c1)CC[C@@]21C[C@@H]1C(=O)O 582133029 GQIQYAWSGPYBRT-RHSMWYFYSA-N 295.363 3.575 30 20 CHED CC1(C)Cc2cccc(C=NNc3ccccc3)c2O1 737414441 YKGWPHVWCMWPTI-UHFFFAOYSA-N 266.344 3.846 30 20 CHED C=CCC1(NCc2nc(-c3ccsc3)no2)CCCC1 661848243 CPGIQQKQBDHXLQ-UHFFFAOYSA-N 289.404 3.777 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C 904181458 OQTIPOWYNOOHTR-GUYCJALGSA-N 272.392 3.543 30 20 CHED CCCCCCCCC(=O)NCC1CCSCC1 733225512 RNOYUSFJEYSTDF-UHFFFAOYSA-N 271.470 3.996 30 20 CHED C=C(Cl)CNC(=O)c1ccc2c(c1)-c1ccccc1C2 736246629 CFXOVIJDFUHPSZ-UHFFFAOYSA-N 283.758 3.740 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C/C1CCCCC1 735435679 YNPPWUVEAKAXOG-JLHYYAGUSA-N 299.389 3.924 30 20 CHED N#CCOc1ccc(CC(=O)OCCC2=CCCCC2)cc1 835718692 GIOWOBJBEIHVGZ-UHFFFAOYSA-N 299.370 3.565 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)c2cc(C)co2)cc1 900553924 IKRADJJQTXYZFV-UHFFFAOYSA-N 298.342 3.547 30 20 CHED O=C(C1[C@@H]2CCC[C@@H]12)N(O)Cc1cccc2ccccc12 901370053 POWBUERZVMWVEX-HZPDHXFCSA-N 281.355 3.604 30 20 CHED COc1cc(CC#N)cc(-c2ccc(C)o2)c1OC(F)F 904783600 ORKMNIJHFGBPEG-UHFFFAOYSA-N 293.269 3.931 30 20 CHED C=CCCC[C@@H](NCc1cccc2ccccc12)C(=O)O 900067599 LLCAACOZZAWQRP-QGZVFWFLSA-N 283.371 3.739 30 20 CHED C[C@@H]1CC[C@@H](C)C(=NNc2nncc3ccccc23)C1 834921757 VJJYDOPJIACUIA-VXGBXAGGSA-N 268.364 3.854 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CF)C1 909271061 VRWUWVKZHHSDGC-ZIAGYGMSSA-N 294.418 3.554 30 20 CHED Cn1ccnc1C(=O)/C=C\c1ccc(-c2ccccc2)cc1 735790953 GSIITMVPYXNNDI-XFXZXTDPSA-N 288.350 3.983 30 20 CHED COc1ccc(C2(NC(=O)C#CC(C)(C)C)CCCC2)cc1 837385137 TZBWTNNQKVJMPQ-UHFFFAOYSA-N 299.414 3.630 30 20 CHED Cc1ccc(Cl)c2sc(NC(=O)C#CC3CC3)nc12 837645368 GWCWTBUKMXUHET-UHFFFAOYSA-N 290.775 3.610 30 20 CHED C=C(CC)CN[C@H](C)c1nc(Br)cs1 834903831 UCOIUTLEPCDUGO-MRVPVSSYSA-N 275.215 3.522 30 20 CHED COc1ccc(/C=C2/Oc3cc(O)cc(C)c3C2=O)cc1C 915988774 HCWMTONMVIKJLB-LZYBPNLTSA-N 296.322 3.634 30 20 CHED CCN(C(=O)C#CC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 837361304 ZHKBWBGHZZNSQY-CQSZACIVSA-N 282.387 3.517 30 20 CHED CC(=NNc1cnccn1)[C@@H](C)c1nc2ccccc2s1 748780580 LEVLLBWYBAGHIA-SNVBAGLBSA-N 297.387 3.678 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@]12CCCc1ccccc12 745720494 STULWAHMLJYHQQ-AEFFLSMTSA-N 270.372 3.790 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc([N+](=O)[O-])cc1 746998484 BFZSJMJGGXHDNF-TWGQIWQCSA-N 297.310 3.808 30 20 CHED CCCCC[C@@H](C(=O)N(C)[C@@H](C#N)CC)C(C)C 847168371 MKWGLESSVPIYNO-ZIAGYGMSSA-N 252.402 3.599 30 20 CHED Cc1cc(NN=C2CCc3cc(Cl)ccc32)nc(C)n1 743436642 AIPIZJKULIXPSI-UHFFFAOYSA-N 286.766 3.509 30 20 CHED CC1(C)CC(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)C1 842946120 VNPRTGIYHBPTMX-LLVKDONJSA-N 274.389 3.633 30 20 CHED CCCCCCCC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 915631027 XDDMXKROWCKFQD-CVEARBPZSA-N 282.472 3.584 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)c1cc(C#N)c[nH]1 596499693 VEZJQFCVQGWFNT-CQSZACIVSA-N 289.423 3.955 30 20 CHED N#CC1(C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCC1 746051393 TZNVGNOMJMKXBL-QLFBSQMISA-N 275.392 3.972 30 20 CHED CCOc1cccc(/C=N/[C@H](C)c2cccc(OC)c2)c1O 917558698 VOSUIXFKOSBCPZ-KZKLBEMASA-N 299.370 3.980 30 20 CHED Fc1ccccc1C=NNc1nccc2sccc12 915978945 BLDBZOFBSHGKTR-UHFFFAOYSA-N 271.320 3.881 30 20 CHED CCCC[C@@H](SCC1(C#N)CCCC1)C(=O)OC 917598083 FBRVMQCCSCCDIP-GFCCVEGCSA-N 269.410 3.535 30 20 CHED C=CCCCCCN(C)C(=O)/C(C)=C\c1ccco1 846882559 LGDCRDVFIFLPOL-YPKPFQOOSA-N 261.365 3.888 30 20 CHED C[C@H](c1cccs1)N(C)CCc1ccc(C#N)cc1 595296152 JQKQJFMSFQIZRD-CYBMUJFWSA-N 270.401 3.855 30 20 CHED C[C@@H](Cc1cccs1)NC(=O)CC1(C#N)CCCCC1 596784087 REQOVIWYBRGFSK-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc2nc(O)oc2c1 671763737 GDQJRYOSZTTXHV-ZYHUDNBSSA-N 260.337 3.539 30 20 CHED C[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@@H](c2ccsc2)O1 595344869 OCAVBUQLKUIPJQ-COXVUDFISA-N 298.411 3.775 30 20 CHED C#CCOc1cc(F)ccc1NCc1cc(F)ccc1F 742376619 ZNDDKSGCVBXCFW-UHFFFAOYSA-N 291.272 3.728 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1sccc1C)c1ccccc1 843643149 PXRJGBHMRHRWER-OAGGEKHMSA-N 295.407 3.651 30 20 CHED CC(C)(CCC#N)CN1CC(Cc2ccsc2)C1 598679134 YADVJNWMUVQGKT-UHFFFAOYSA-N 262.422 3.552 30 20 CHED COCc1ccc([C@@H]2CCCN2c2ccc(C#N)cc2C)o1 846756558 ZNBNFAXZKNMCON-KRWDZBQOSA-N 296.370 3.948 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(C)nn1C 840888105 YPMMDOAEXVEIAI-DOTOQJQBSA-N 283.419 3.567 30 20 CHED Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCCCCC#N 914597920 OCKPKRIKDKSYBA-GFCCVEGCSA-N 295.766 3.653 30 20 CHED N#Cc1ncccc1SCC[C@H]1CC1(Cl)Cl 848439827 ZXQMYOHBUOJJGQ-QMMMGPOBSA-N 273.188 3.629 30 20 CHED C=CCC1(NC(=O)Nc2cccc(C#N)c2C)CCCC1 596802601 CONPUDNQQKSANA-UHFFFAOYSA-N 283.375 3.877 30 20 CHED N#CC1(CCOC(=O)c2cccc(F)c2F)CCCCC1 840221649 NORQXEHLIIKJOJ-UHFFFAOYSA-N 293.313 3.986 30 20 CHED C[C@H](CCc1ccc2c(c1)OCO2)/N=C\c1ccccc1O 745625184 UEZPZDWYPYBSIC-LPXFMOJISA-N 297.354 3.561 30 20 CHED C[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)CC1 845437257 ULGOTRAFLFMROC-JHJVBQTASA-N 281.359 3.565 30 20 CHED N#CC[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 596332141 WLOXUBXFXZKQBF-NSHDSACASA-N 293.292 3.707 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 593616734 OBGXKSPSCLMVBN-LBPRGKRZSA-N 290.794 3.596 30 20 CHED C=CCOc1ccccc1-c1nc(C2CCC2)no1 685242352 NLMBKHVLPAYYGG-UHFFFAOYSA-N 256.305 3.569 30 20 CHED CCCCNN=C[C@@H](C)c1cccc(Br)c1 747633770 VQFPSHSLWXNKEM-LLVKDONJSA-N 283.213 3.928 30 20 CHED CCCC(C)(C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 844418361 YZHIWAISNBAVGK-LBPRGKRZSA-N 259.349 3.989 30 20 CHED C#CCC(C)(C)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 843773731 DVEWXOWWJTUNNR-HNNXBMFYSA-N 269.388 3.646 30 20 CHED Cc1cccc(NC(=O)c2ccccc2SCC#N)c1O 759721660 APHVTGIORVPHOS-UHFFFAOYSA-N 298.367 3.569 30 20 CHED C[C@H]1CC(=NO[C@@H]2CCCCO2)c2ccsc2S1 755822649 LXSKWDZOLCNVMB-JOYOIKCWSA-N 283.418 3.880 30 20 CHED C[C@@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccc2ccccc2c1 928220416 IRXUAGBSQIAFTL-CABCVRRESA-N 292.382 3.705 30 20 CHED COc1ccccc1C(C)=NNc1cccc(F)c1 920383283 CNWJFPQZUUZKAY-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C#C[C@H](CC)NC(=O)c1ccccc1SCC=C(C)C 754387991 CDBBSVFWJCWMMU-CQSZACIVSA-N 287.428 3.887 30 20 CHED C[C@H]1CCCC(=NNc2cncc(Br)c2)C1 758116970 DFNXNIVTILVUOS-VIFPVBQESA-N 282.185 3.822 30 20 CHED Fc1ccc(CNN=Cc2ccc(Cl)c(F)c2)cc1F 921258688 ZIMHUOPWXSSMKW-UHFFFAOYSA-N 298.695 3.881 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)c1 921268932 GDEWXAVJKXMIID-YVMONPNESA-N 294.350 3.827 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCCCCC(C)=O)C1 855438668 MQKRCEJHTAPVOJ-INIZCTEOSA-N 279.424 3.731 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)C1CCC2(CC1)CC2 850973100 MNXVJWSTCBPWEM-INIZCTEOSA-N 280.408 3.729 30 20 CHED C=C[C@H](OC(=O)c1ncoc1C1CC1)c1ccccc1 851452358 RKFCNAVKUCNYTP-ZDUSSCGKSA-N 269.300 3.636 30 20 CHED CC[C@H](C)CCCCC(=O)N(CCC#N)CC(C)C 751506817 QIKLOOHVHSYPJP-HNNXBMFYSA-N 266.429 3.991 30 20 CHED C=CCCONC(=O)c1cc(C(C)C)nc2ccccc12 856029330 IXVNMVSCRGTTKU-UHFFFAOYSA-N 284.359 3.596 30 20 CHED N#CC1(CC(=O)O[C@@H](C2CC2)C(F)(F)F)CCCCC1 850886078 VYPYJCUHGOVKTQ-LBPRGKRZSA-N 289.297 3.735 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccco1 761481063 VJWHWPMWYXPCPG-HYXAFXHYSA-N 268.099 3.878 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 935370094 FAFSZLFIZCVCJI-SQWLQELKSA-N 272.392 3.593 30 20 CHED CCC(=NNc1cc(C)ncn1)c1c(F)cccc1Cl 767782225 NANXSDYDQBDPKY-UHFFFAOYSA-N 292.745 3.804 30 20 CHED COc1cc(F)cc(NN=Cc2cc(F)c(F)cc2F)c1 767793457 XRPBUYMDGMBAOX-UHFFFAOYSA-N 298.239 3.698 30 20 CHED CC(=NNc1ccc(F)cc1C)c1sccc1O 769800031 SKMCJYQNVWESGR-UHFFFAOYSA-N 264.325 3.737 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(N(C)C)c1C 935252793 WZCDFXKIOWWCMG-CYBMUJFWSA-N 260.381 3.602 30 20 CHED CCc1noc(C)c1C(C)=NNc1cccc(F)c1 769793620 UDVVASNQHUWONV-UHFFFAOYSA-N 261.300 3.521 30 20 CHED N#Cc1ccccc1SCc1cccc2nsnc12 768399870 YUUOXMOIBBRSEW-UHFFFAOYSA-N 283.381 3.855 30 20 CHED CC(=O)CCCCCCNC(=O)CC1(C#N)CCCCC1 862079515 IVTWSFZGOBKZLI-UHFFFAOYSA-N 292.423 3.506 30 20 CHED CC1(C)CCCN(Cc2cc(Cl)nc(Cl)c2)[C@@H]1C#N 769894086 SXTNOMPKBQVPNP-LLVKDONJSA-N 298.217 3.903 30 20 CHED CC#CCCSc1nnc2n(C(C)C)c3ccccc3n12 764936577 DCFIAPFLEOSXMM-UHFFFAOYSA-N 298.415 3.770 30 20 CHED COCCON=CCCCc1ccc(Cl)c(Cl)c1 768775303 BWPYLHQUCVMBBI-UHFFFAOYSA-N 290.190 3.965 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)Nc2sccc2C#N)C1 864264125 GXVLLNCZEAVABH-LBPRGKRZSA-N 291.420 3.910 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ncnc3ccsc23)C1 768367873 SQZYDOSCDIPLPW-GHMZBOCLSA-N 274.393 3.915 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1cc(C)nc(C)n1 779773662 RSKNXEVAKNOSCB-LLVKDONJSA-N 262.401 3.954 30 20 CHED CCCCCCCN[C@H](C)C1CCN(C(=O)OCC)CC1 778223105 IESXNOFWVVFLGH-OAHLLOKOSA-N 298.471 3.803 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 777910408 AVZMRRYTGVWIAI-ALCCZGGFSA-N 289.237 3.769 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cccc(C(=O)O)c1)C2=O 774127830 WKHAFNAKPQPMQC-OQLLNIDSSA-N 278.307 3.516 30 20 CHED C[C@@H]1CCC[C@@H](OCC(=O)O[C@@H](C#N)C2CCCCC2)C1 776384190 DTLHVMCYMIXSSL-BMFZPTHFSA-N 293.407 3.597 30 20 CHED CC[C@H]1CCCCC1=NNCCc1ccccc1F 779777251 OPYIXYVXGPBFJD-ZDUSSCGKSA-N 262.372 3.914 30 20 CHED C=CCOCCCc1nc(-c2cccc(C(F)F)c2)no1 771519391 ZXDKGZQDWUSYQQ-UHFFFAOYSA-N 294.301 3.809 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1nc(C)cc(C)n1 773179756 GJAZRZFPTLTEBJ-UHFFFAOYSA-N 288.782 3.777 30 20 CHED COc1ccc(CNCc2cccc(C(C)C)c2)cc1C#N 775342748 VXWIMQQHFHJBJJ-UHFFFAOYSA-N 294.398 3.980 30 20 CHED C=CCCC[C@@H](C)NC1CCN(C(=O)OCC(C)C)CC1 776692400 CFWBMCNICWBXBO-OAHLLOKOSA-N 296.455 3.578 30 20 CHED CC(C)(C#N)CCOC(=O)C1(c2ccc(F)cc2)CCC1 776364380 RFBQWKVAODQXMJ-UHFFFAOYSA-N 289.350 3.730 30 20 CHED C#CCCCCCC(=O)N1CCCc2ccccc21 779708377 UYJZLVIDUCHBDW-UHFFFAOYSA-N 255.361 3.550 30 20 CHED CC(=NOCCC(F)(F)F)c1cc(F)cc(F)c1 777462999 VOLZOFSVBMYKCY-UHFFFAOYSA-N 267.197 3.658 30 20 CHED C=C(CC)COC(=O)Cc1cccc(OC(C)C)c1 773500194 HBJHVLBGGREKIE-UHFFFAOYSA-N 262.349 3.526 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(C#N)cs2)CC1 1128211467 PVFZXJBOXCVTPU-UONOGXRCSA-N 290.432 3.954 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc([C@H]2C[C@@H]2C)o1 773090803 KAMOIWDCANZZJP-AAEUAGOBSA-N 284.363 3.762 30 20 CHED Cc1ccc(C)c(C(=O)OCc2ccc(CC#N)cc2)c1 776114203 MLFGJPRVPRBXKL-UHFFFAOYSA-N 279.339 3.727 30 20 CHED N#Cc1cc2c(nc1SCc1cscn1)CCCC2 775052045 JPJIOEKLGDZDHY-UHFFFAOYSA-N 287.413 3.581 30 20 CHED C=CC[C@H](C(=O)OCc1ncc(C)s1)c1ccccc1 778428068 HIQFXPMAMBXUNZ-AWEZNQCLSA-N 287.384 3.855 30 20 CHED C#CCC1(C(=O)OCc2ncc(Cl)s2)CCCCC1 788216339 QEKDJICQMQXUIB-UHFFFAOYSA-N 297.807 3.814 30 20 CHED C[C@@H](CC(=O)[C@@H](C#N)c1ncc(Cl)n1C)CC(C)(C)C 1123336351 HBXXIQJIPFECPX-WDEREUQCSA-N 295.814 3.712 30 20 CHED C=C[C@H](C(=O)N1CCC[C@]2(C1)CC2(F)F)c1ccccc1 1123920877 FIBIUJMIHODHCE-GOEBONIOSA-N 291.341 3.604 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@H](CCF)C1)c1ccccc1 1123928613 SAHKBUZTWQAYOV-GDBMZVCRSA-N 275.367 3.554 30 20 CHED CC(C)c1cccc(C(=O)NCc2cccc(C#N)c2)c1 1124916284 YQEZDFPMBLVMLO-UHFFFAOYSA-N 278.355 3.612 30 20 CHED CCCCCCCCC(=O)N[C@@H](c1ncon1)C(C)C 788205154 MPRRYDVXTLTDCR-CQSZACIVSA-N 281.400 3.634 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1ncnc2ccsc12 783855312 HBEBKQAWXIILAG-ZJUUUORDSA-N 274.393 3.915 30 20 CHED C=CCN(C(=O)c1c(C)noc1C1CC1)c1ccccc1 783871098 ACDPANSIHBGGMC-UHFFFAOYSA-N 282.343 3.693 30 20 CHED N#Cc1ccc(CNC2CCC(c3ccccc3)CC2)nc1 783299390 BRKFXGXLVMYERD-UHFFFAOYSA-N 291.398 3.769 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1cccc(O)c1 782303970 QPRRHPLCDASEPW-ALCCZGGFSA-N 275.307 3.837 30 20 CHED N#CCCN(Cc1cccnc1)C[C@H]1CCc2ccccc21 780297228 JTBYBAIHLFZTCP-GOSISDBHSA-N 291.398 3.527 30 20 CHED CC(C)c1cnc(COC(=O)c2cc(C#N)cs2)s1 783489708 CBFGATNZOJAVRI-UHFFFAOYSA-N 292.385 3.557 30 20 CHED C=C1CCC(C(=O)N2CC=C(c3ccccc3)C2)CC1 897311817 NWGUIKCBPUFHHH-UHFFFAOYSA-N 267.372 3.659 30 20 CHED CC(C)(C)CC(=NOC[C@@H]1CCOC1)c1ccccc1 788029608 HCNPAJQXPXDKEG-CQSZACIVSA-N 275.392 3.880 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CC1=CCCCC1 106773505 GBZXSOZOHRRYOU-UHFFFAOYSA-N 262.397 3.665 30 20 CHED CCCCCC[C@@H](C)CC(=O)NCC(C)(C)C#N 782099192 SAEIMIRQLBZCLF-CYBMUJFWSA-N 252.402 3.649 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ncccc1CCCCOC 899137117 URPUTZMHHNDSQD-CQSZACIVSA-N 290.407 3.592 30 20 CHED C=CCCCCCOC(=O)c1cc(C(C)=O)c(C)nc1C 784823549 DNIGXKORPVMKRK-UHFFFAOYSA-N 289.375 3.804 30 20 CHED COc1ccc2nc(NN=CC3(C)CC3)c(C)cc2c1 782266933 GDCDCRLZXLNSQV-UHFFFAOYSA-N 269.348 3.750 30 20 CHED C=CCCCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 390725690 QXXWRICWXRATDJ-OAHLLOKOSA-N 296.455 3.722 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc(Cl)cc1 796836834 RJWHOTWQAUPKNM-IINYFYTJSA-N 265.740 3.884 30 20 CHED Cc1ccc([S@@](=O)CCCC(C)(C)C#N)c(C)c1 87611191 VRLHIFSMMUFJTC-GOSISDBHSA-N 263.406 3.741 30 20 CHED N#Cc1ccc(SCC2(CC(=O)O)CC2)c(Cl)c1 88113342 UWFNDUMUMPXEKS-UHFFFAOYSA-N 281.764 3.559 30 20 CHED CCCOc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(C)c1 799724068 CQJYAYPODNMPLU-UONOGXRCSA-N 258.365 3.888 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(O)cs1 792671447 ZLSDSKVCYSDTLO-UHFFFAOYSA-N 287.384 3.672 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(Cl)nc2)ccc1C#N 799497485 SCUBQDLEMKPSLB-UTCJRWHESA-N 298.729 3.511 30 20 CHED Oc1ccccc1/C=N/Cc1c(F)cc(F)c(F)c1F 797399266 WFHNKBOQQDEWLT-KPSZGOFPSA-N 283.224 3.568 30 20 CHED CC(=NNc1ncccc1F)c1ccc(Cl)cc1 794985635 UYNOERNNDNPPIT-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CC1(CNN=Cc2occc2Br)CCCC1 793083958 HOJGGAUIAWONEB-UHFFFAOYSA-N 285.185 3.546 30 20 CHED COc1ccccc1CON=C1CCc2c(F)cccc21 799116648 CEJTUPRYCIBZJP-UHFFFAOYSA-N 285.318 3.701 30 20 CHED COc1cccc(CN(CCC#N)CC(C)(C)C)c1F 192949703 WOEMJFTYUWFRCE-UHFFFAOYSA-N 278.371 3.596 30 20 CHED COc1cccc(/C=C2\CCc3ccc(O)cc3C2=O)c1F 799894519 XHNQJTDKMVBKLF-UKTHLTGXSA-N 298.313 3.752 30 20 CHED C#C[C@H](CCC)NC(=O)C1(c2ccc(F)cc2)CCCC1 791743257 OOFPAHQZHWFYEE-MRXNPFEDSA-N 287.378 3.556 30 20 CHED C/C(=C\Cl)CSc1c(C#N)nnc2ccccc12 797830793 ZYUAPKZYZQAVBO-RMKNXTFCSA-N 275.764 3.736 30 20 CHED CC(C)C[C@H](C)COC(=O)c1ccccc1CC#N 798587517 UTKLREOZLQTTRH-ZDUSSCGKSA-N 259.349 3.592 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 792952793 TTZLWPGHZFKLPT-TZMCWYRMSA-N 296.773 3.514 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1)c1ccnc(F)c1 794721432 ZEQXBFHUTPVVHO-ZZXKWVIFSA-N 261.683 3.770 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 796505545 IEERGHXMYXSLNQ-UHFFFAOYSA-N 290.322 3.579 30 20 CHED Cc1nc(N(Cc2ccoc2)C2CC2)c(Cl)cc1C#N 723722641 DJCBPPMQLOLCGG-UHFFFAOYSA-N 287.750 3.677 30 20 CHED C#CCCCCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 692917438 MGUFUINEFFOACH-QGZVFWFLSA-N 275.367 3.833 30 20 CHED CCO[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)C12CCC2 87709572 UOCRPGDLDJQLBV-GJZGRUSLSA-N 290.794 3.971 30 20 CHED C#CCC(C)(C)C(=O)NCc1cccc(Cl)c1Cl 767057265 HQWLGVYWLBBNMK-UHFFFAOYSA-N 284.186 3.659 30 20 CHED CC(C)(C(=O)N1CCC(CC#N)CC1)C1CCCCC1 782055902 UVKWOTKVZQSGDC-UHFFFAOYSA-N 276.424 3.745 30 20 CHED CCCCCCCCCCC(=O)N1CCCC[C@@H]1CO 1317903902 SCADUGWMOSTDBV-MRXNPFEDSA-N 283.456 3.891 30 20 CHED CC#CCCN=[S@@](=O)(c1ccc(F)cc1)C(F)(F)F 1328041386 MOPSLLGEUZSUJZ-LJQANCHMSA-N 293.285 3.586 30 20 CHED CC1(C)CCC[C@H]1c1nnc(COc2ccc(C#N)cc2)o1 1326959921 KWFHXHCDZDJXAI-AWEZNQCLSA-N 297.358 3.814 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc2cccc(OCC)c2o1 1321241796 RPGUZXPWQGJROM-TZMCWYRMSA-N 289.375 3.683 30 20 CHED C[C@H](SCCOc1ccc(C#N)cc1)c1cccnc1 1325300651 JTWFITFPDJTTJJ-ZDUSSCGKSA-N 284.384 3.826 30 20 CHED CC[C@H](NC(=O)CC#Cc1ccccc1)C1CCCC1 1327118919 JFSFBUVUTGTBNH-KRWDZBQOSA-N 269.388 3.513 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3C[C@H]4CC[C@H]3C4)o2)cc1 1257871968 ANGRBPQJEVIGMN-FPMFFAJLSA-N 265.316 3.512 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2ccccc2Cl)o1 1338094698 QVMWKVJVKTVAPJ-LBPRGKRZSA-N 291.778 3.891 30 20 CHED C[C@@H](COc1ccccc1F)N[C@H](C)c1ccc(C#N)cc1 1254184009 IFXYRSCPTGCSOO-UONOGXRCSA-N 298.361 3.815 30 20 CHED CC(C)c1nc(C=NNc2ccc([N+](=O)[O-])cc2)cs1 1251188685 KZYHNWAMKNBYCK-UHFFFAOYSA-N 290.348 3.621 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2[nH]ccc2c1 1337489640 XPUCCNRKPIEXNE-HNNXBMFYSA-N 268.360 3.739 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NC[C@H]1CCCC1(F)F 1263108859 IZNFPJAMXNQKDC-CHWSQXEVSA-N 286.366 3.562 30 20 CHED C=C1CCC(C(=O)Nc2cccc(OC)c2F)CC1 1332438755 QDKFSAUQCQLWPS-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C=CCC[C@H](C(=O)OCCc1cnoc1)c1ccccc1 1343696703 SNHPRSKPFYKNMJ-INIZCTEOSA-N 285.343 3.510 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)c1csc(C#N)c1 1349805179 NAZOTGDKERQACT-UHFFFAOYSA-N 290.775 3.545 30 20 CHED CC1(C)Cc2cc(C(=O)Nc3ccc(C#N)cc3)ccc2O1 1348467816 BMULABYGHORPCD-UHFFFAOYSA-N 292.338 3.524 30 20 CHED CC(C)(C)SCCCC(=O)OCc1ccc(C#N)s1 1261559291 HAGTYJVGWBVNIX-UHFFFAOYSA-N 297.445 3.975 30 20 CHED C=C(CC)C(=O)N(Cc1cccc(C)c1)Cc1ccccn1 1346438793 DUACNEHPECKEKE-UHFFFAOYSA-N 294.398 3.885 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)Cc1ccn(C(C)C)n1 1346350430 JCLXIRFNXCUVBB-ZBFHGGJFSA-N 290.407 3.685 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1cc(C#N)ccc1F 1275425218 DRDPLOBIAPGDGX-UHFFFAOYSA-N 286.281 3.706 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(CF)cc2)c(Cl)c1 1355987860 RFWHKBMJYMSRAM-UHFFFAOYSA-N 288.709 3.933 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)cnc1Br 1355036815 UZNURUIXOLDGIE-ZDUSSCGKSA-N 297.196 3.693 30 20 CHED CCCCCCCC[C@H](N)C(=O)Nc1cccc(N)c1C 1354397149 LRMCTXUYEMLKTP-HNNXBMFYSA-N 291.439 3.594 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(F)cc2cccnc12 1353904662 LWYJFMOYJLJJRW-OAHLLOKOSA-N 298.361 3.945 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC1(C)CCC(C)CC1 1360391380 RIULQYIKBYFQPM-UHFFFAOYSA-N 270.376 3.565 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)c1coc2ccccc12 1525149686 ROFQKNWGZOHIOT-UHFFFAOYSA-N 288.306 3.507 30 20 CHED Cc1ccc(C[C@H](C)N(C)c2ccc(Cl)c(C#N)n2)cc1 1458191396 VPWGHJTXHDLLTJ-ZDUSSCGKSA-N 299.805 3.983 30 20 CHED CCN(Cc1ccccc1F)C(=O)c1ccccc1CC#N 1290757236 FYDVUQHYWKGUON-UHFFFAOYSA-N 296.345 3.554 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2coc3c(C)cccc23)n1 1526860361 KHYZHGNCGHNQNT-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](F)c1ccccc1 1526210649 YLWLHYFSEQYIOV-GUYCJALGSA-N 296.345 3.788 30 20 CHED CCC(C)(C)C1CCC(CC(=O)N(C)[C@@H](C)C#N)CC1 1523779157 LBBUIHMZDJLFNR-NFOMZHRRSA-N 278.440 3.990 30 20 CHED CC(C)[C@@H](CN[C@H](C)CC(C)(C)C#N)C(=O)OC(C)(C)C 1462386585 KJNXOKDHNPFSBI-ZIAGYGMSSA-N 296.455 3.518 30 20 CHED Cc1cccc(C)c1CN(CCO[C@H](C)C#N)CC(C)C 1460278271 NGBGLXDMTFPSBH-QGZVFWFLSA-N 288.435 3.690 30 20 CHED Cc1cccc(NN=Cc2cc(C(=O)O)ccc2Cl)c1 1600542302 HEUUXANJBUIPJY-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)C2(c3cccc(C#N)c3)CC2)[C@H](C)C1 1530247534 YJFBVWSLQALAMY-CKEIUWERSA-N 297.398 3.958 30 20 CHED CCCCC(COC)=NNc1ccc(C(=O)O)c(Cl)c1 1605237651 IRJXMUIIUCIDHZ-UHFFFAOYSA-N 298.770 3.643 30 20 CHED CC[C@@H](C(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1535454942 AROXFXVOVDXAJG-CQSZACIVSA-N 282.318 3.830 30 20 CHED C[C@H](Sc1cccnc1C#N)c1cccc(C#N)c1 1613785677 NSIUCYSPNCTQAE-NSHDSACASA-N 265.341 3.678 30 20 CHED C#C[C@@H](CC)NCc1ccc(Br)c(Cl)c1 229895659 OIOYQXMOROKAOI-JTQLQIEISA-N 286.600 3.604 30 20 CHED C[C@H](NCc1cc(C#N)ccn1)c1c(F)cccc1Cl 1642439616 AQSJCDIITWNSDC-JTQLQIEISA-N 289.741 3.597 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 5129163 HDEXCPILCJFVGW-FNORWQNLSA-N 280.323 3.928 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)[C@H](C#N)CC 1641779663 CPLUIXCRAQSOHT-GJZGRUSLSA-N 266.429 3.991 30 20 CHED COc1ccnc(CSc2ccc(C#N)c(C)c2)c1 1652057973 BBABXDGPWOIAPO-UHFFFAOYSA-N 270.357 3.563 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@@H](C)Oc2cc(F)ccc21 1653469154 HNOLFRRMSASQMJ-CYBMUJFWSA-N 296.345 3.793 30 20 CHED C=CCCC[C@@H](C)N[C@H](CC)c1ccc(-c2nn[nH]n2)cc1 1588594053 KFAFZHQFRGVDSR-CZUORRHYSA-N 299.422 3.652 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(C)CCC(C)C 1740809752 KWRFZRDDHNCHIC-UHFFFAOYSA-N 296.846 3.780 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)ccn2)c2ccccc2c1 1583130793 QJJUWOLDYDKKDM-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1cc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1C#N 1659194767 WBXJQMUIPKDAEE-JCGIZDLHSA-N 268.404 3.877 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)Cc1ccccc1 232526001 UGAJZFUDDOEVLH-GOSISDBHSA-N 263.406 3.655 30 20 CHED CC(C)(C#N)CCCCOc1cccc(F)c1C#N 232521637 SWOHNXNODTWRNH-UHFFFAOYSA-N 260.312 3.796 30 20 CHED CCNc1ccccc1C=NNc1cccc(C(=O)O)c1C 1776088673 BFTQKIWHUQKBIE-UHFFFAOYSA-N 297.358 3.571 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2ccc(C)cc2C)CC1 1776161417 DGXQJFCAVAIVNO-UHFFFAOYSA-N 287.403 3.546 30 20 CHED COc1ccc(C)cc1CN(C)Cc1cc(C#N)ccc1F 11439641 GSIPXKXBNHTYBY-UHFFFAOYSA-N 298.361 3.646 30 20 CHED N#Cc1csc(CNCC2(Cc3ccccc3)CC2)c1 158902051 NPKAUDGDTVLWEK-UHFFFAOYSA-N 282.412 3.732 30 20 CHED COc1ccc2c(c1)CN(CCC#N)[C@@H](c1ccccc1)C2 164941795 ZQKCWDYMUGKWMD-LJQANCHMSA-N 292.382 3.708 30 20 CHED CCN(C(=O)[C@@H](C)c1ccccc1F)c1ccc(C#N)cc1 152298586 RSTSMSMXEQYKQJ-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cccc(F)c2)CC1 153027441 RKSDJCYAIFLFMR-AWEZNQCLSA-N 276.399 3.517 30 20 CHED C=CCC[C@H](NC(=O)Nc1ccncc1)c1ccccc1 153294190 NVHHWFUWWPFKCO-INIZCTEOSA-N 281.359 3.911 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)s1 155071415 QAJMKARXTMWPPF-AWEZNQCLSA-N 268.385 3.609 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1 154112476 BRCXVBGITLSFJE-MRXNPFEDSA-N 285.391 3.795 30 20 CHED C=C(C)CNC(=O)Nc1ccc(F)c(C(F)(F)F)c1 156905712 OITPDFRASHIOCC-UHFFFAOYSA-N 276.233 3.542 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1C 209642615 HNKZMTNQZSZWAK-OQFOIZHKSA-N 297.310 3.808 30 20 CHED C#Cc1ccc(CNc2cc(F)c(F)cc2OC)cc1 811512956 UOLMFAJACYRKSW-UHFFFAOYSA-N 273.282 3.567 30 20 CHED C=CCCCCN1CCC[C@@H]1C[C@H](O)c1ccco1 828041021 OHDXRRDCUVPRKD-CABCVRRESA-N 263.381 3.524 30 20 CHED COc1ccc(C#N)cc1NCc1cccc(C)c1F 1308430234 GWYLRASBMUDKSJ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1CCCc2sccc21 137564533 JAQFMIQORDQSDR-ZDUSSCGKSA-N 282.368 3.678 30 20 CHED Cc1ccc(CN(C)c2nc(C)cc(C)c2C#N)cc1 22804280 RPBSPCXTXOEPAI-UHFFFAOYSA-N 265.360 3.515 30 20 CHED CSc1ccc([C@@H](C)NC(=O)C2(C#N)CCCC2)cc1 41881535 RAFBUBKBCNYLST-GFCCVEGCSA-N 288.416 3.670 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)c(Cl)c1 269242082 ZPDSJRXDYRIHPD-YABSGUDNSA-N 274.751 3.586 30 20 CHED N#C[C@H](C(=O)c1ccc2sccc2c1)c1ccccn1 350628674 ZJXOXTXDCIEBDM-ZDUSSCGKSA-N 278.336 3.786 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1 308133944 MMKXQEUDHIPMKM-BXUZGUMPSA-N 256.349 3.632 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc2ccccc2c1 320273621 MKOCIFJFMOCVJT-KSSFIOAISA-N 269.388 3.818 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1 320768670 PORAJOGPEXVDMU-JQWIXIFHSA-N 288.218 3.971 30 20 CHED C=CCC(C)(C)CN=c1[nH]c(C(F)(F)F)cs1 432148952 QJDJMGDZFRMEMM-UHFFFAOYSA-N 264.316 3.598 30 20 CHED CC[C@H](NCC1(C#N)CC1)c1ccc(Cl)s1 336736143 MJKQGJJDDSGSGV-VIFPVBQESA-N 254.786 3.746 30 20 CHED N#Cc1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1 336834368 IAHFPSKJFDZEGM-UHFFFAOYSA-N 268.360 3.713 30 20 CHED N#Cc1cccnc1N1CCC[C@H](C2CCCCC2)C1 708373893 NLSLKFVOPNIBKX-INIZCTEOSA-N 269.392 3.750 30 20 CHED N#CCCC1CCN(Cc2cccc(Cl)c2)CC1 399268207 BSSAKFNQFGKOKW-UHFFFAOYSA-N 262.784 3.856 30 20 CHED Cc1cc(C#N)ccc1Oc1ccnc(C(C)C)n1 110473841 ZNWDRPCOMFIVOZ-UHFFFAOYSA-N 253.305 3.572 30 20 CHED C#Cc1cccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1 55455963 ZFRNIAPVZNLKIA-UHFFFAOYSA-N 297.329 3.603 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C1(Cc2ccccc2)CC1 177057963 ICVJDIFVOXWPAZ-UHFFFAOYSA-N 298.430 3.798 30 20 CHED C#CCCCCC(=O)Nc1cccc(-n2nc(C)cc2C)c1 179746706 CUEUEPXIGAITSP-UHFFFAOYSA-N 295.386 3.621 30 20 CHED Cc1cccc(CCC(=O)N[C@@H](C#N)C2CCCCC2)c1 51967832 ZQJHGAXRDTVARM-KRWDZBQOSA-N 284.403 3.516 30 20 CHED CCCCc1ccc(NC(=O)N2CCC(C#N)CC2)cc1 104972295 YGAYROMNERDUGT-UHFFFAOYSA-N 285.391 3.797 30 20 CHED CCCCCCCC(=O)Nc1cc(C(=O)OC)ccc1F 104984602 ZTJAJBAEOQAVRD-UHFFFAOYSA-N 295.354 3.911 30 20 CHED C=C(C)COC(=O)COc1ccccc1-c1ccccc1 57984036 VGAXUULAURTNSV-UHFFFAOYSA-N 282.339 3.852 30 20 CHED C=CCCCC(=O)NCc1ccc(F)cc1C(F)(F)F 175322622 YOONAHXLDUGDNE-UHFFFAOYSA-N 289.272 3.817 30 20 CHED C[C@H](CC#N)OC(=O)c1cccc(Oc2ccccc2)c1 113696352 YFGSLNGEEPJRAS-CYBMUJFWSA-N 281.311 3.938 30 20 CHED C=CCC[C@H](NCc1ccc([C@H](C)O)cc1)C1CC1 178679123 MFUPJKRJXFELEC-GUYCJALGSA-N 259.393 3.574 30 20 CHED CC(C)c1nc(CCNc2ccc(C#N)cc2)cs1 301198395 VHKRVHVGXNOCAK-UHFFFAOYSA-N 271.389 3.793 30 20 CHED N#Cc1ccc(N(Cc2ccccn2)C2CC2)cc1Cl 178768439 KATSJRRWBMHJIU-UHFFFAOYSA-N 283.762 3.776 30 20 CHED COc1cc([C@@H](C)NCCCCC#N)ccc1OC(F)F 178642857 MBSDKNUVTJTTPI-LLVKDONJSA-N 298.333 3.641 30 20 CHED C=CCCCSCC(=O)Nc1c(C)cccc1C 117944767 FYHIDTISBDIJBO-UHFFFAOYSA-N 263.406 3.941 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C#N)cs2)cc1 176836827 FLAUBFSVHNPFMJ-VOTSOKGWSA-N 269.325 3.524 30 20 CHED CCCCCCCCC(=O)Nc1ccc2c(c1)CC(=O)N2 113904362 CLSIGVYGEPDAOK-UHFFFAOYSA-N 288.391 3.870 30 20 CHED C=C(C)CSCC(=O)Nc1cccc(Cl)c1 177867441 LBQQOLIHZSXQTQ-UHFFFAOYSA-N 255.770 3.588 30 20 CHED C=C[C@H](CC(=O)N(CC)CC(C)C)c1ccccc1 179469598 IBRABFGXJPDLRU-OAHLLOKOSA-N 259.393 3.851 30 20 CHED COCc1cccc(NC(=O)Nc2cccc(C#N)c2C)c1 178586308 KDTFZSYAGQVBIQ-UHFFFAOYSA-N 295.342 3.657 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccsc1)CCO2 122442115 DRPGOJVKVKUQDI-WQLSENKSSA-N 286.352 3.806 30 20 CHED C=CCNC(=O)c1ccc(NCc2c(C)cccc2C)cc1 179228290 ICOCDKYXVBYSAZ-UHFFFAOYSA-N 294.398 3.831 30 20 CHED N#Cc1ccc(OC/C=C/c2ccccc2)c(F)c1 36886910 MYHSLGQTUXUOSM-QPJJXVBHSA-N 253.276 3.790 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1 121592493 RGGNAYGOIFKKMD-LSDHHAIUSA-N 292.423 3.803 30 20 CHED C=CCOc1ccccc1CNc1cccc(F)c1C#N 37268782 VVRVCYMFBFLRAQ-UHFFFAOYSA-N 282.318 3.874 30 20 CHED N#CCSc1nnc(-c2cccc3ccccc23)o1 126924527 OAKPVGJWVOUWBH-UHFFFAOYSA-N 267.313 3.505 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@H](Nc2ccccc2)C1 301632607 DBFBHIOWIXBTPH-HNNXBMFYSA-N 295.361 3.778 30 20 CHED C=CC[C@@H](C(=O)N(C)Cc1ccco1)c1ccccc1 186176515 ZRIARJBDBKWVSB-MRXNPFEDSA-N 269.344 3.598 30 20 CHED CCc1cc(C#N)c(NC(=O)c2sccc2C)s1 79262955 GQHDGLHFJVCGJK-UHFFFAOYSA-N 276.386 3.804 30 20 CHED C=C(C)CN(C)[C@H]1CCCc2nc(CC)sc21 152647598 XVEQASNQJAKMFU-LBPRGKRZSA-N 250.411 3.591 30 20 CHED Cc1ccc(C(C)(C)CN(C)C[C@H](C#N)CCC#N)cc1 75861649 VMXIGKMQDFLWJQ-INIZCTEOSA-N 283.419 3.648 30 20 CHED C#CCN(Cc1ccc(C)cn1)[C@H]1CCc2ccccc21 127531470 XPYJWHKIPVTZBA-IBGZPJMESA-N 276.383 3.513 30 20 CHED CCN(Cc1c(C)cc(Cl)cc1C)C[C@H](C)C#N 509765694 KTGBVLLHIUDWKR-LLVKDONJSA-N 264.800 3.938 30 20 CHED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 185829168 VBHRWLAZAPLIEJ-BBRMVZONSA-N 274.383 3.775 30 20 CHED C=CCCCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505913392 SQURIWFLMCMZCK-CYBMUJFWSA-N 296.292 3.743 30 20 CHED C[C@@H](CC#N)N[C@@H](C)c1ccc(Cl)cc1Cl 37871229 UZKBVDZGWGDRML-IUCAKERBSA-N 257.164 3.946 30 20 CHED C#CCCCCC(=O)N1CCC[C@@]1(C)Cc1ccccc1 183993670 OXLHUNMVAOCWNQ-IBGZPJMESA-N 283.415 3.804 30 20 CHED C=CCc1ccc(OCCc2scnc2C)c(OC)c1 505693409 FLOWQNSRBZKKAA-UHFFFAOYSA-N 289.400 3.810 30 20 CHED C=CCNc1ncc(C(=O)N2CCCC[C@H]2CCC)s1 186976495 OPTIEZWUSWMCKS-GFCCVEGCSA-N 293.436 3.536 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(F)c1 507215358 VOVAQPDEBYPDRS-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED CCc1oc2ccccc2c1CN(CC)CCC#N 127623559 GKVNSTXFSJMSBV-UHFFFAOYSA-N 256.349 3.731 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)C(C1CC1)C1CC1 181384403 HKGOJNPNYHQYTI-GFCCVEGCSA-N 264.413 3.561 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCCC#CC 185246426 LWZQOEYKGICUIA-UHFFFAOYSA-N 273.351 3.534 30 20 CHED COCc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1 181117652 OGQIVGOYBCHYNE-CQSZACIVSA-N 296.370 3.736 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 502573341 WPEFUNQPOGZBFA-UWVGGRQHSA-N 264.756 3.832 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1)c1ccncc1 182243621 YYOIHHBXKSQKKF-ZPUQHVIOSA-N 253.276 3.673 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C1CC1 77466266 AQLYWYWTOWRHMS-LLVKDONJSA-N 289.404 3.564 30 20 CHED Cc1cccc(OCCNc2ccccc2O[C@@H](C)C#N)c1 182588591 WDRHACVMZFIVSW-HNNXBMFYSA-N 296.370 3.777 30 20 CHED Cc1ccsc1CNc1ccccc1O[C@@H](C)C#N 181127868 ZAYARXAXTZRCNA-LBPRGKRZSA-N 272.373 3.960 30 20 CHED CO[C@@H](CN(CCC#N)CC(C)(C)C)c1ccccc1 338544653 DCFBLNYDSUDDIK-INIZCTEOSA-N 274.408 3.636 30 20 CHED C[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 416113092 WLWJPZOXZLCOIX-LRDDRELGSA-N 284.403 3.734 30 20 CHED C[C@H](CCc1ccccc1)NCCc1cccc(C#N)c1 503573105 JBEAYQIUTUQJPI-MRXNPFEDSA-N 278.399 3.712 30 20 CHED OC1=NCCC[C@H]1/N=C(/O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 328777115 LIQDFBRAVRVBSF-REWJHTLYSA-N 278.396 3.668 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2nc3c(s2)CCCC3)CCC1=O 328908702 DDQBAZXJRNKJIZ-ZJUUUORDSA-N 292.404 3.615 30 20 CHED C=CCC[C@H](N[C@@H](C)c1ccn(C)n1)c1ccccc1 414090550 KQFDNFRNOOTXMU-YOEHRIQHSA-N 269.392 3.778 30 20 CHED C=CCC[C@H](NC(=O)NC[C@H]1CC12CC2)c1ccccc1 416706044 WQYRQXYAEVFSJR-CVEARBPZSA-N 284.403 3.793 30 20 CHED CC(C)c1cnc(N=C(O)[C@@H]2CCC(=O)[C@@H](C)C2)s1 328934848 FJHCWGORUIWLGP-VHSXEESVSA-N 280.393 3.860 30 20 CHED N#Cc1csc(CNc2ccc3scnc3c2)c1 192256479 UNDYNBVHILPQHP-UHFFFAOYSA-N 271.370 3.842 30 20 CHED CC[C@H](C#N)OC(=O)C[C@@H](c1ccccc1)C(C)C 84697870 VHQYEWWLKVNOLQ-HUUCEWRRSA-N 259.349 3.662 30 20 CHED N#Cc1cccc(C#N)c1NCc1ccc(OC(F)F)cc1 195178782 WFDVCJVPBDLFPO-UHFFFAOYSA-N 299.280 3.643 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)c(F)c1)c1nccs1 192109364 NQTRMAANPYUTPK-OAHLLOKOSA-N 289.379 3.569 30 20 CHED C=CCN1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 428920916 AQFOGMRTUBGLQM-RISCZKNCSA-N 285.309 3.653 30 20 CHED CC[C@H](C)/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1 48408098 VYLVKZHKTVLRKC-NSHDSACASA-N 291.372 3.531 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1cccc(CC#N)c1 191348376 YDEMGXLZPXMWNI-UHFFFAOYSA-N 293.370 3.745 30 20 CHED C=CCC[C@H](NC(=O)CC[C@H]1CCCO1)c1ccccc1 133876969 VARKQKZGGXBGHL-SJORKVTESA-N 287.403 3.769 30 20 CHED Cc1ccc(F)c(C(=O)N(CCC#N)CC(C)(C)C)c1 264282897 PFJFAMJPRRULBN-UHFFFAOYSA-N 276.355 3.536 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCCC(C)C 510993169 VMVUSKONANJPTQ-CYBMUJFWSA-N 257.443 3.579 30 20 CHED COc1ccccc1C[C@H](C)N(C)CCCC(C)(C)C#N 88194797 HNKADTCCXTUPMS-HNNXBMFYSA-N 288.435 3.888 30 20 CHED CN(CCCc1ccccc1)C(=O)Nc1ccc(C#N)cc1 45956129 BNPKSNMIRYMIEO-UHFFFAOYSA-N 293.370 3.655 30 20 CHED C=C(C)CN(Cc1ccccc1)CC1CC(OCC)C1 510799969 XQVGMLIHAKYFKJ-UHFFFAOYSA-N 273.420 3.880 30 20 CHED Cc1ccccc1-c1noc(CNc2ccc(C#N)cc2)n1 198411025 PTAXCFYSBFBYEP-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CCOc1ccccc1NCc1ccc(C#N)s1 135692268 HPFYIPFAIRNZQV-UHFFFAOYSA-N 258.346 3.631 30 20 CHED CCN(Cc1ccccc1Cl)C(=O)c1cccc(C#N)c1 45396038 JDHIBLRNAQALFB-UHFFFAOYSA-N 298.773 3.874 30 20 CHED N#Cc1ccc(NC(=O)Nc2cnc3ccccc3c2)cc1 45029688 PCSIALYRFGDFAL-UHFFFAOYSA-N 288.310 3.750 30 20 CHED Cc1cccc(SCC(=O)c2ccc(C#N)cc2)c1 40696615 AOZPTNYPBOKYHP-UHFFFAOYSA-N 267.353 3.842 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1cc(Cl)ccc1C 426227076 KBVPJCULDPPTAL-OAHLLOKOSA-N 292.810 3.899 30 20 CHED CC(C)COc1ccc(OC[C@H](C#N)CCC#N)cc1 191390544 UUHCBSPZOSIBIH-AWEZNQCLSA-N 272.348 3.544 30 20 CHED N#CCc1ccc(NC(=O)N[C@@H]2CCc3ccccc32)cc1 334355229 AJFBNGXTKITAJL-QGZVFWFLSA-N 291.354 3.562 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(C#N)c2)CC1 510208979 JHXMGYJPGOOWOK-HDJSIYSDSA-N 295.386 3.831 30 20 CHED CC(C)(C)CC/N=C(/O)N[C@@H]1CCCc2occc21 330381490 NNCGRFWRKZRCKB-GFCCVEGCSA-N 264.369 3.597 30 20 CHED COC1(CCN(Cc2ccc(C#N)cc2)C(C)C)CCC1 338936516 OTHQNGLDCBKEKR-UHFFFAOYSA-N 286.419 3.728 30 20 CHED C=CCCC(=O)NCC1(c2cccc(F)c2F)CCCC1 427591662 MGGRPYOTBXWGIR-UHFFFAOYSA-N 293.357 3.859 30 20 CHED CCCN(CC#N)C[C@@H](C)c1cccc(Br)c1 92398466 QUDZIIZNZBHGNP-GFCCVEGCSA-N 295.224 3.788 30 20 CHED N#Cc1sc(NCCCc2ccccc2)nc1Cl 236076142 QSUBXXVDRAZIOH-UHFFFAOYSA-N 277.780 3.713 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)NC1CCC1 334473859 LSOQPWZFCXHPQE-UHFFFAOYSA-N 276.339 3.508 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@H](C#N)C2CCCCC2)s1 330575576 MDYDLXIBROORBM-GFCCVEGCSA-N 291.420 3.791 30 20 CHED CN(Cc1ccc(Cl)s1)c1c(C#N)cccc1C#N 436262358 DVFLJAMBHLDJJA-UHFFFAOYSA-N 287.775 3.781 30 20 CHED CN(Cc1csc2ccccc12)c1cc(C#N)ccn1 339969025 LWSIOWDDLPNJRK-UHFFFAOYSA-N 279.368 3.804 30 20 CHED N#Cc1cccc(NC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c1 337631275 YFFRGKSSZJZVCT-AEGPPILISA-N 283.375 3.506 30 20 CHED Cc1cccc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)c1 141558667 ZXGLVOFXPFABJS-LCYFTJDESA-N 296.322 3.807 30 20 CHED N#Cc1ccn(Cc2nc(-c3ccccc3)cs2)c1 435788128 CYQYXVYGPUMQJJ-UHFFFAOYSA-N 265.341 3.532 30 20 CHED N#Cc1ccc(Cl)cc1NCCCC(F)(F)F 97987897 WNQLJFDPLKDDCK-UHFFFAOYSA-N 262.662 3.966 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1c(C)cc(C)nc1C 334707322 ZUMXGHZYHNSYTE-AWEZNQCLSA-N 273.380 3.579 30 20 CHED CCN(C(=O)[C@H](C)C(C)C)c1ccc(C#N)c(Cl)c1 91206378 DJICQWNAOLLFIQ-LLVKDONJSA-N 278.783 3.857 30 20 CHED N#Cc1ccc(OCC#Cc2ccc(F)cc2)cc1Cl 438897132 PHYLXYFUGIJUTL-UHFFFAOYSA-N 285.705 3.781 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc2c(F)cccc2[nH]1 437583807 XWAGNLPNEHDWNB-UHFFFAOYSA-N 293.345 3.811 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCc2ccc(C)cc21 436288205 DRRNOCWXJNBBET-NEWSRXKRSA-N 285.431 3.943 30 20 CHED C=CCCN(C)C(=O)c1csc(-c2ccccc2F)n1 342015968 JQLAJVGVJXLZHB-UHFFFAOYSA-N 290.363 3.597 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccnc(C)c3)no2)cc1 432679431 OYYKGDFARQXVHF-UHFFFAOYSA-N 293.326 3.672 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)c1ccc([N+](=O)[O-])cc1C#N 248087797 DVFMOHWQKLBRTG-NSHDSACASA-N 299.305 3.803 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cc(F)cc(Cl)c1 345894955 YQAMKUQVOZQNNR-UHFFFAOYSA-N 282.746 3.539 30 20 CHED CCO[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C1(C)C 245874506 JVPPQJGCLUGWAG-BRWVUGGUSA-N 286.419 3.825 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCCc3ccccc32)C1 249054691 YHDIFABYYNBVTN-UNEWFSDZSA-N 254.377 3.736 30 20 CHED C[C@H](CCC#N)CN(C)[C@H]1CCCc2ccccc21 602436593 XHSJBNXHDHLQEW-PBHICJAKSA-N 256.393 3.936 30 20 CHED Cc1ccc(F)c(CN(C)c2ccc([N+](=O)[O-])c(C#N)c2)c1 436425094 MNBYLBAMSIILNP-UHFFFAOYSA-N 299.305 3.550 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 602310876 IFWPBLVCHNLPHH-BRWVUGGUSA-N 296.414 3.503 30 20 CHED CC[C@@](C)(NC(=O)CC(C)(C)C#N)c1ccc(F)cc1 601697425 BTLNPRUKNHSKQJ-MRXNPFEDSA-N 276.355 3.507 30 20 CHED C[C@H](CCC#N)CN1CC2(CCOCC2)[C@H]1c1ccccc1 602690774 OHVRODSIVPZNPP-SJLPKXTDSA-N 298.430 3.780 30 20 CHED Cc1ccccc1C1CCN(CC2(CC#N)CC2)CC1 602776492 SVMFHGFWEIILKJ-UHFFFAOYSA-N 268.404 3.868 30 20 CHED Cc1ccccc1-n1nccc1CNCC(C)(C)CCC#N 342285958 JRNVPCSHVKAQIL-UHFFFAOYSA-N 296.418 3.600 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(F)cc(Cl)c1 435732825 RWCYGRKZNIUVQG-IUODEOHRSA-N 283.774 3.550 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cc(F)ccc1SC 341982789 UVOYOSLUJUISRY-ZDUSSCGKSA-N 296.411 3.702 30 20 CHED CC(C)(CCC#N)CNC(=O)CCc1ccc2[nH]ccc2c1 345877361 CDQDBVQUZSEJJR-UHFFFAOYSA-N 297.402 3.547 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(C#N)c1 609043010 QKHQZBIIYIXLQF-IRXDYDNUSA-N 299.418 3.716 30 20 CHED C=CCCCSCCOc1ccccc1[N+](=O)[O-] 609803878 IOXOVEBCTWCLNF-UHFFFAOYSA-N 267.350 3.673 30 20 CHED CC(C)(C)c1cnc(S[C@@H](C#N)Cc2ccccc2)[nH]1 601096967 KAGWBBJJGSBYRI-CYBMUJFWSA-N 285.416 3.934 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OCCC(C)C)cc1 522642771 GIHFQPIMJLFXFL-AWEZNQCLSA-N 275.392 3.806 30 20 CHED COc1cc(CNCCCCC#N)cc2ccccc12 449130915 IWBYELPJVXJUID-UHFFFAOYSA-N 268.360 3.632 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)CC(C)(C)C1CC1 520846331 OQMSNLXGXIZPHK-UHFFFAOYSA-N 286.375 3.722 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1ccc(F)cc1F 255499243 XHLQTTIYNKOWKR-YVMONPNESA-N 269.250 3.733 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(OC)c(SC)c1 600001999 RESHEDQHYBPMRP-UHFFFAOYSA-N 292.404 3.686 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1oc2ccccc2c1C 255390906 QPZAQGFTOJVVCY-HJWRWDBZSA-N 280.327 3.679 30 20 CHED N#Cc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1 254930681 OFNNSRZUNBNZFD-VGOFMYFVSA-N 263.271 3.520 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cc(C)nc(N2CCCC2)c1 353662443 RJIUDRKJGDGYIN-GDBMZVCRSA-N 287.451 3.681 30 20 CHED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2)cc1 357792480 GLAWZAUYHXGJEL-GOSISDBHSA-N 290.366 3.926 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1c1cccc(C)c1C 449923269 DHZYDWNSSNCCDC-KURKYZTESA-N 299.414 3.558 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CCC)C1CCCCC1 537095286 RVTXZYOAJWKIQB-ZBFHGGJFSA-N 253.430 3.510 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2ccc3ccccc3c2)C1 442787909 DZQWGWTYMPSWTQ-CRAIPNDOSA-N 264.372 3.664 30 20 CHED CN(CCCNC1CCC(C)(C#N)CC1)C1CCCCC1 449062476 LQVAYBVTXIONQC-UHFFFAOYSA-N 291.483 3.703 30 20 CHED C=CCCC(=O)N[C@](C)(c1ccccc1)C(F)(F)F 537752433 LKESIVQHKQOELT-CYBMUJFWSA-N 271.282 3.547 30 20 CHED C=CC[C@@H]1N(Cc2cnc3n[nH]c(C)c3c2)CCCC1(C)C 446831783 ITSWCHJXHVVSFS-INIZCTEOSA-N 298.434 3.833 30 20 CHED C=CCC[C@H](CC)NCc1cnc(OC)c(Cl)c1 449459476 LJTPDLJSWKITNO-LBPRGKRZSA-N 268.788 3.578 30 20 CHED Cc1ccccc1O[C@@H](C)CN[C@@H](C)c1cccc(C#N)c1 537288715 QFZLPFROHGFBAP-HOTGVXAUSA-N 294.398 3.985 30 20 CHED N#Cc1ccc(CC(=O)N2CCCCc3sccc32)cc1 619557476 FJICQXZMKCGMSQ-UHFFFAOYSA-N 296.395 3.532 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccccc2OCCF)C1 449385612 GKXVYJHXZOIYRV-OLZOCXBDSA-N 262.328 3.529 30 20 CHED COc1ccc(CN(C)C[C@H](C)c2ccccc2)cc1C#N 533079720 KOXFEWDQVNFUDM-HNNXBMFYSA-N 294.398 3.802 30 20 CHED COC(=O)c1ccc(NCc2ccc(C#N)c(C)c2)cc1C 446906129 XVQCTUNYPNBGNU-UHFFFAOYSA-N 294.354 3.574 30 20 CHED CC(C)OCc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442877528 ZWHRQYUZNPTVRX-BBRMVZONSA-N 258.365 3.716 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 357837559 SWYCOMNOVIESFJ-LBPRGKRZSA-N 298.317 3.503 30 20 CHED Cc1cc(C#N)ccc1CN(C)CCCc1ccccc1 614397582 GLDGZZDCGNXGSM-UHFFFAOYSA-N 278.399 3.931 30 20 CHED Cc1ccc(C#N)c(NC[C@H](Nc2ccccc2)C(C)C)n1 536982912 FIHWYRVGVALIPB-KRWDZBQOSA-N 294.402 3.810 30 20 CHED CCOc1cc(/C=C/c2ncccc2C#N)ccc1OC 352019720 DFCURCKBCSMWMF-SOFGYWHQSA-N 280.327 3.531 30 20 CHED C[C@H](C[C@@H]1CCOC1)Nc1ccc(C(F)(F)F)c(C#N)c1 618579356 RRBBSQHTDGAKJB-MNOVXSKESA-N 298.308 3.804 30 20 CHED C=CCC[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1F)c1ccccc1 454693666 MLHLALCHLDZGEK-ARFHVFGLSA-N 290.382 3.884 30 20 CHED C=C(C)CCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 452743007 SSNPQRJNJAHMFA-HZPDHXFCSA-N 257.377 3.653 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCC1=CCCCC1)CC2 453241896 DTCUNUHZOKKKRD-KRWDZBQOSA-N 252.361 3.636 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)NCC(C)(C)CC#N 459238430 ODICTNVEWWEZEO-CYBMUJFWSA-N 279.428 3.536 30 20 CHED CC(C)c1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)cc1 612290040 HBGMKGUDVOYDDM-QGZVFWFLSA-N 285.391 3.968 30 20 CHED CC(C)(C)CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 369752637 JBPXFUVHVBYBSW-CVEARBPZSA-N 299.418 3.514 30 20 CHED C=CCC1(C(=O)NCC2(CCOCC)CCC2)CCCC1 450148563 PXXOMWPLWWLJKL-UHFFFAOYSA-N 293.451 3.836 30 20 CHED Cc1cc(C#N)ccc1CN(CC1CCC1)C(C)C 618327840 AOXSEWNAJVRRSM-UHFFFAOYSA-N 256.393 3.877 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)NCC(C)(C)C#N)cc1 611689948 CNTJNVOZUPPACY-CQSZACIVSA-N 286.419 3.970 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 618807433 YTZZUYFIYCJDPR-DJJJIMSYSA-N 287.366 3.768 30 20 CHED Cc1cccc(Oc2ccccc2NC(=O)NCCC#N)c1 362937996 HBEPIVIZCIUCFR-UHFFFAOYSA-N 295.342 3.823 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(OCC3CCCCC3)CC2)C1 549860623 PGEMPARJRZZDHV-IRXDYDNUSA-N 290.451 3.740 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc2cnccc12)OCC 270404863 HQJCQTAKTGTZOY-MRXNPFEDSA-N 284.359 3.545 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1c1ncccc1C#N 541207194 JKLHBDGWQNWORG-ZBFHGGJFSA-N 277.371 3.726 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(OC(C)C)c1)OCC 452675047 IVWNAZKQWWKATI-INIZCTEOSA-N 291.391 3.784 30 20 CHED C=CCC[C@@H](C)NCc1cccc(OC(C)(C)C)n1 544612567 HQYWHQKXZITPAY-CYBMUJFWSA-N 262.397 3.703 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H](C(C)(C)C)C1 544111989 KIZBJPJBICKREW-OAHLLOKOSA-N 281.440 3.644 30 20 CHED C=CCCC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 270440938 XJTODNGYWMVDLH-MRXNPFEDSA-N 261.340 3.668 30 20 CHED C=CCSCCNC(=O)N(C)C1CCC(CC)CC1 541887768 RYERVEVETCIZQV-UHFFFAOYSA-N 284.469 3.516 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2cccc(CC#N)c2)C[C@H]1C 456746808 IKJNYOCFZWAQHD-NFAWXSAZSA-N 270.376 3.763 30 20 CHED C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 270981373 DASFAYVKZDAPRQ-ZWNOBZJWSA-N 278.783 3.703 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1 548075526 RSLVVKWCGKPEPZ-SJORKVTESA-N 256.393 3.959 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(C)c(O)c(C)c1C)OCC 274770508 WEZKCNQAVPFSOT-HNNXBMFYSA-N 291.391 3.627 30 20 CHED CC#CC(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 278925951 SGUJRGWGPKBNSZ-LBPRGKRZSA-N 298.411 3.627 30 20 CHED CC(C)(C)OC(=O)Nc1cccc(Cn2ccc(C#N)c2)c1 271742283 RGRNRKAERHISOQ-UHFFFAOYSA-N 297.358 3.755 30 20 CHED C=CCOCCNC(C)(c1ccccc1)c1ccccc1 549535309 AXXXCKXYOXQWRA-UHFFFAOYSA-N 281.399 3.742 30 20 CHED C=Cc1ccc(CCNC(=O)[C@@](C)(C=C)CC)cc1 462568712 GCSCGTQPILZDRR-KRWDZBQOSA-N 257.377 3.591 30 20 CHED CC1(C#N)CCN([C@H]2CCCc3ccccc32)CC1 272543574 JXLSHCGRSKSSLH-INIZCTEOSA-N 254.377 3.690 30 20 CHED C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)c1cccc(C#N)c1 461803659 QWMCKEAJDBGWBW-CYBMUJFWSA-N 290.366 3.789 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C2CC2)cnc1Cl 280227764 JJDXGQQRRUUHIP-UHFFFAOYSA-N 278.783 3.651 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cncc(C)c2)cc1 287468231 MHFXWPCVROKSOO-OAHLLOKOSA-N 282.387 3.806 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC(CC(F)(F)F)CC1 551646707 XELZCEVGCBONKB-LBPRGKRZSA-N 292.345 3.715 30 20 CHED C=CCCN(C)C(=O)CSc1ccc2ccccc2c1 466627550 JTYWQMLRLGFXQT-UHFFFAOYSA-N 285.412 3.966 30 20 CHED C=CCC[C@@H](C(=O)N1CCC2(CCO2)CC1)c1ccccc1 374428638 JKHVZBVWTDCTDN-QGZVFWFLSA-N 299.414 3.518 30 20 CHED N#CCc1ccnc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1 552329060 FNKLRCSHUHCTKW-ARFHVFGLSA-N 297.402 3.693 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](C)CCC[C@H]1C 466402419 WBJMUQUDMCZHTK-MJBXVCDLSA-N 252.402 3.561 30 20 CHED CN(Cc1ccccc1)C1CCC(NCCCCC#N)CC1 284323479 ZYBKALKOKCYDLH-UHFFFAOYSA-N 299.462 3.713 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1cc(F)c2ccccc2c1 551454925 RJFQAQOAJRRNRR-HNNXBMFYSA-N 284.334 3.647 30 20 CHED N#C[C@H]1CC[C@H](NC[C@H]2CCCC[C@H]2C(F)(F)F)C1 558243308 ALSYECDRNZTZNO-QNWHQSFQSA-N 274.330 3.637 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCCC[C@@H]1CC(C)C 460367989 GJPBNEAHWJOVFP-OAHLLOKOSA-N 276.428 3.568 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(F)c(Cl)nc1Cl 281500896 VXAFIBOIVXWOHU-ZETCQYMHSA-N 291.153 3.612 30 20 CHED CSC[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 292426310 NEAHUUMHRNKTJE-UKRRQHHQSA-N 274.433 3.694 30 20 CHED CC#CCCCC(=O)Nc1ncc(Cl)cc1Cl 636573123 KNKZIJPIQNQMDK-UHFFFAOYSA-N 271.147 3.521 30 20 CHED C[C@@H](NCCOCCC#N)c1cc(Cl)ccc1Cl 294662379 RHUYFWBVOZIGHE-SNVBAGLBSA-N 287.190 3.574 30 20 CHED CC1(C(=O)NCCc2cccc(C#N)c2)CCCCCC1 477907894 LLZOUDSHJQOTRZ-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CC(F)(F)c1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 297973258 QCIUIDDSDXFVNS-OAHLLOKOSA-N 294.345 3.856 30 20 CHED C=CCCC1(C(=O)N(C)CCc2ccc(F)cc2)CC1 475109395 QONDJHINDHUVKN-UHFFFAOYSA-N 275.367 3.573 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)CCc1ccccc1F)C(C)(C)C 807881395 JGOHCXUGAAMYTR-BBRMVZONSA-N 289.394 3.559 30 20 CHED N#Cc1sc(N[C@@H]2C[C@@H]2Cc2ccccc2)nc1Cl 804504941 UNWGLODTMDAIRL-WDEREUQCSA-N 289.791 3.711 30 20 CHED CC/C=C/CCOC(=O)c1cc(C#N)ccc1Cl 803831049 AYDSMHAAHFJWDB-ONEGZZNKSA-N 263.724 3.725 30 20 CHED C#CCC(C)(C)c1nc(C2(c3cc(F)ccc3C)CC2)no1 809511959 SKEPTOPDRVAEGY-UHFFFAOYSA-N 298.361 3.898 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccccc1OCC(F)F 297982425 YANCBPZTBHLRQR-UHFFFAOYSA-N 283.318 3.871 30 20 CHED CC#CCCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 477473292 HGIYQXJVNJQGPK-UHFFFAOYSA-N 287.447 3.903 30 20 CHED CCCCCCCCCCC(=O)N1CCOCC12CC2 801744549 YNNXQCFSQFOLEF-UHFFFAOYSA-N 281.440 3.909 30 20 CHED C[C@@H]1CCC[C@@H]1NCc1cc(C#N)ccc1Br 800390501 CUUKZVRATWPDBL-YGRLFVJLSA-N 293.208 3.599 30 20 CHED C=CCN(CCC#N)C(=O)CCCCCc1cccs1 292534043 VDOMBYAORPNASJ-UHFFFAOYSA-N 290.432 3.779 30 20 CHED C#CCCc1noc([C@@H](C)Cc2cncc3ccccc23)n1 809398131 QTWKLNZHWLICRL-ZDUSSCGKSA-N 291.354 3.530 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc(-c2ccccc2)no1 292820196 WZKQCEOGHKVPCA-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C#Cc1cncc(C(=O)Nc2cccc3ccsc23)c1 807147743 ISAZWPOMWFTXMS-UHFFFAOYSA-N 278.336 3.530 30 20 CHED C=CCCCCCCNC(=O)N1CCS[C@H](C)[C@H]1C 806005265 GFLOEIPZSYSEGC-ZIAGYGMSSA-N 284.469 3.658 30 20 CHED N#Cc1nccc(Oc2ccc(OC3CCCCC3)cc2)n1 566478046 FSTLSKNMARWVKX-UHFFFAOYSA-N 295.342 3.852 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ncc(C(C)C)s1 489089649 RLILHIUYGGGDLU-NSHDSACASA-N 279.409 3.839 30 20 CHED COCC(Cc1ccccc1)=NOCc1ccc(F)cc1 814903266 AWIGEXOOIJRJGI-UHFFFAOYSA-N 287.334 3.587 30 20 CHED Clc1ccccc1NN=Cc1cccnc1Cl 814691285 UQKKGAWLPGTJKR-UHFFFAOYSA-N 266.131 3.834 30 20 CHED Cc1cccc([C@@H](C)CNc2ccc(C#N)c([N+](=O)[O-])c2)c1 564567920 MGQLIZTZOBHBSA-ZDUSSCGKSA-N 295.342 3.991 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=C1CCC[C@@H](C#N)C1 814906561 ABPYYUAOAYOIMS-SJLPKXTDSA-N 283.419 3.913 30 20 CHED C#CCON=C(C)c1ccc(Oc2ccccc2)cc1 812234075 OPENWUKFLUIFEX-UHFFFAOYSA-N 265.312 3.853 30 20 CHED C#C[C@H](NC(=O)C(CC)CC)c1ccc(Cl)cc1 811945400 UKOVZGRZPGLTMK-AWEZNQCLSA-N 263.768 3.567 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC[C@@H]2C2CC2)c(Cl)c1 814833087 WYLGWZHALMCRQW-SNVBAGLBSA-N 279.727 3.836 30 20 CHED CCC(CC)NN=Cc1c(C)c2ccccc2n1C 814851711 RTHUWVUFWWOHQY-UHFFFAOYSA-N 257.381 3.599 30 20 CHED C[C@@H](Cc1ccsc1)N1CCC(CCC#N)CC1 570280753 KZCSHXSWRVOJCY-ZDUSSCGKSA-N 262.422 3.695 30 20 CHED CSC(C)(C)CC=NNc1nccnc1C1CCC1 814931579 XVZHFHMQQKTUIG-UHFFFAOYSA-N 278.425 3.674 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccnn1Cc1ccc(C)cc1 577483546 GNEKRKDEZIGZBU-UHFFFAOYSA-N 297.402 3.781 30 20 CHED CC(C)[C@@H]1N(Cc2ccc(O[C@@H](C)C#N)cc2)CC1(C)C 816625062 PVQXZDUTWSGARW-YOEHRIQHSA-N 286.419 3.844 30 20 CHED Cc1csc(NC(=O)N2CCC[C@H](C)CC2)c1C#N 572852962 SUYBCTDBIBWPSW-JTQLQIEISA-N 277.393 3.582 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(SC)nc2)c1 727087135 ASNXDCZEAFOTJY-UHFFFAOYSA-N 299.424 3.594 30 20 CHED COc1ccccc1[C@@H](CC(C)C)Nc1cc(C#N)ncn1 579548517 OCTOGYUKFFWULU-OAHLLOKOSA-N 296.374 3.556 30 20 CHED CCc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 577308996 PARICQNTSVBESQ-LJQANCHMSA-N 276.383 3.898 30 20 CHED CCCOC1(c2noc(CC(C)(C)C#N)n2)CCCCC1 570856071 SZYDMPZVDOAZJO-UHFFFAOYSA-N 291.395 3.748 30 20 CHED CC(=O)c1ccc(C#N)cc1NCCCc1ncccc1C 828811650 FDCXJJJLPQCBLJ-UHFFFAOYSA-N 293.370 3.509 30 20 CHED C/C(=C/c1ccccc1)CN(C)C(=O)c1cccc(C#N)c1 494867432 CJJZZQVYZDWEKG-PTNGSMBKSA-N 290.366 3.734 30 20 CHED Cc1cccc2c(C(=O)O[C@H]3CCC[C@H](C#N)C3)coc12 821376196 RVHBBKQFBMETKN-STQMWFEESA-N 283.327 3.980 30 20 CHED C=CC[C@@H](C(=O)N1CCCC[C@H](C)C1)c1ccccc1 490201792 MMJVMSZGXFEBEU-DOTOQJQBSA-N 271.404 3.995 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C)CCCC 579020848 PPFFAFDPIMGQHF-CQSZACIVSA-N 293.407 3.503 30 20 CHED C=CCCCCCN(C)C(=O)c1ncoc1C(F)(F)F 669049098 LSCHALPANMRHQE-UHFFFAOYSA-N 290.285 3.512 30 20 CHED CCOc1cc(/C=C2/Cc3c(C)cccc3C2=O)ccc1O 729151929 YJLNELABBTVONL-ZROIWOOFSA-N 294.350 3.922 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cccc2cc[nH]c12 664727537 ATNIVLOOOXTEMI-UHFFFAOYSA-N 285.391 3.712 30 20 CHED C=CCCC[C@H](C)N[C@H](CO)c1cccc(Cl)c1F 499941160 CGUKFNMFBQPXLP-SMDDNHRTSA-N 285.790 3.847 30 20 CHED C=CCCCCCCNc1nc2c(cc1C#N)COCC2 828202021 RGCRRGDYBXMDMX-UHFFFAOYSA-N 285.391 3.574 30 20 CHED COc1cc(OC)c([C@H](C)NCC(C)(C)C#N)cc1Cl 903100532 RXXUNZCUGGEDNT-JTQLQIEISA-N 296.798 3.558 30 20 CHED CCCc1cccc(/C=C2/CCn3ccnc3C2=O)c1 901533651 DVKGHSJCLISEBG-QINSGFPZSA-N 266.344 3.506 30 20 CHED C=C(Cl)COC(=O)C[C@H](C)c1ccccc1C 734910944 YJIUJSLQULNXJS-NSHDSACASA-N 252.741 3.784 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2sccc2O)cc1 588590443 YHIRWDCVKMRDCR-MEQVVJDKSA-N 299.351 3.641 30 20 CHED COc1ccc([C@@H](C)NCC2(C#N)CCC2)cc1Cl 903032132 QLCISYFHXKYYJK-LLVKDONJSA-N 278.783 3.693 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cc[nH]c1 731613574 IJIUQKWMKIOUCF-CYBMUJFWSA-N 250.386 3.741 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)CCCCCC#N)CC2 588157320 DPRRJRVDDDPJIT-MRXNPFEDSA-N 270.376 3.573 30 20 CHED C=CCC[C@H](CC)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)O 901871463 MAYWIIVJKZJCSD-HYVNUMGLSA-N 289.419 3.653 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2cncc(F)c2)CCC1 839077129 MAOUKXQHRCUNSY-NSHDSACASA-N 263.312 3.571 30 20 CHED C=C[C@@H](OC(=O)c1ncccc1Br)C(C)(C)C 838878727 OFLOQRVDBUSBEB-SNVBAGLBSA-N 298.180 3.602 30 20 CHED Fc1cccc(C=NNCC2CCCC2)c1Br 834980089 OVTXCXXUKBPOQV-UHFFFAOYSA-N 299.187 3.702 30 20 CHED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C#CC1CC1 837358556 TWFAEBYUFFECMW-UHFFFAOYSA-N 296.197 3.755 30 20 CHED CCc1ccc(COC(=O)/C=C/c2ccccc2C#N)cc1 735341465 LMBQEYFQYIHQKK-VAWYXSNFSA-N 291.350 3.877 30 20 CHED Cc1ccccc1/C=C\C(=O)c1cnn(C(C)C)c1C 588559750 MATDTKZNVAHIPW-KTKRTIGZSA-N 268.360 3.977 30 20 CHED COc1cccc2cc(C=NOCc3ccccc3)oc12 839419673 KXHFFWNGQYYCCF-UHFFFAOYSA-N 281.311 3.992 30 20 CHED C=C(C)CCc1noc(CCc2cnc3ccccc3c2)n1 580635200 YATRLIAGKGBPKI-UHFFFAOYSA-N 293.370 3.912 30 20 CHED CC(C)COc1ccc(C(C)(C)CNCCC#N)cc1 582780994 OKWPDEXAFYOHJQ-UHFFFAOYSA-N 274.408 3.502 30 20 CHED CC(C)(C#N)C(=O)OCCc1c(Cl)cccc1Cl 835484000 IEKRUXDNNZTTRG-UHFFFAOYSA-N 286.158 3.629 30 20 CHED CCCCCCCCC/C=C/C(=O)N(C)CC#N 737823269 RKIYXEIQQXYMIW-VAWYXSNFSA-N 250.386 3.665 30 20 CHED N#CCC1(COC(=O)[C@H]2CCC[C@@H]2c2ccccc2)CC1 835188920 VZPWQKYRKHZUHI-CVEARBPZSA-N 283.371 3.807 30 20 CHED C=CCC1(C(=O)OCc2cccc(Cl)n2)CCCC1 838279780 KFDGAWLNFTYBIS-UHFFFAOYSA-N 279.767 3.915 30 20 CHED CC[C@@H](CC#N)NCc1ncc(-c2ccc(Cl)cc2)o1 580208824 OEQCQOPIKKSJQD-ZDUSSCGKSA-N 289.766 3.777 30 20 CHED Cc1noc([C@H](C)ON=Cc2ccccc2C(F)(F)F)n1 736296346 GDKHKSZMOURNJU-QMMMGPOBSA-N 299.252 3.509 30 20 CHED CCCC[C@@H](C)N(C)C(=O)N[C@H](C)c1cccc(C#N)c1 589642271 KRRMOZSXMBKUKQ-ZIAGYGMSSA-N 287.407 3.839 30 20 CHED CCC[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccn1 839063773 UGJGDDUQKXLUNQ-ILXRZTDVSA-N 286.375 3.591 30 20 CHED C=CCCCCCCNC(=O)c1coc2c1C(=O)CCC2 831992777 LDGBVPIKCOAIKE-UHFFFAOYSA-N 289.375 3.665 30 20 CHED CC(C)C(NC1CCN(c2ccc(C#N)cc2)CC1)C(C)C 586791290 LGZBNGFJZUTTAF-UHFFFAOYSA-N 299.462 3.797 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C#CC(C)(C)C)C1 837439533 HRWFQYVJKDGTLA-BBRMVZONSA-N 287.378 3.785 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CCC[C@H](C#N)C1 593660868 OXVACZZQFLIQJO-NXNVCVFFSA-N 254.377 3.523 30 20 CHED CC(C)[C@@H]1N(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1(C)C 594365209 YIQPZFZRQATQJH-YOEHRIQHSA-N 298.430 3.630 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C 839227301 VKALRZAJPOUUEJ-MRVPVSSYSA-N 298.260 3.632 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 590748956 RKWWZUKCJGNCAI-OLMNPRSZSA-N 296.414 3.878 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)N1CCC(CCC#N)CC1 591971042 RBZHVPSGTIBAIV-FOLVSLTJSA-N 291.439 3.536 30 20 CHED Cc1cc(CN2CCC[C@@H](CC#N)C2)cc2cccnc12 597177458 MMXCRJGJTGNFRG-HNNXBMFYSA-N 279.387 3.669 30 20 CHED N#CCC[C@@H](C#N)CN1CCC[C@@H](C2CCCCC2)C1 595881727 VFFNCSGKGIFPQK-DOTOQJQBSA-N 273.424 3.722 30 20 CHED C=C(C)CCOC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 744303770 VDSCXTVCLFXVGZ-RYUDHWBXSA-N 266.287 3.578 30 20 CHED N#C[C@H](c1ccccc1)N1CCSC2(CCC2)CC1 595534527 IADXMUWXTFDJHG-OAHLLOKOSA-N 272.417 3.613 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)N1CCC(CCC#N)CC1 591936933 LPZADLAGHQCPAK-IJEWVQPXSA-N 291.439 3.536 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)nn1C 840714878 JJUVXFBVJCLMRG-KHPPLWFESA-N 282.387 3.922 30 20 CHED FC(F)CNN=Cc1ccc(-c2ccc(Cl)cc2)o1 740618709 XVTOVWCNZVSSMN-UHFFFAOYSA-N 284.693 3.789 30 20 CHED Cc1cccc(OCCN(C)[C@@H](C#N)c2ccccc2)c1 595286153 CXRHZPYKKAYCIM-SFHVURJKSA-N 280.371 3.571 30 20 CHED C#CC1CCN(C(=O)c2csc3cc(C)ccc23)CC1 843699945 DBQPXPSOVUFBSY-UHFFFAOYSA-N 283.396 3.695 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cc2cc(F)ccc2o1 741758781 BWHHJCACTIEZBV-UHFFFAOYSA-N 299.261 3.926 30 20 CHED C=CCN(C(=O)CCC(=O)c1ccc(Cl)cc1)C(C)C 918700912 HEDJZSZMTZWRLV-UHFFFAOYSA-N 293.794 3.726 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](C)CCCCC)cc1 913479072 LTOSDSRUPLSFSS-CQSZACIVSA-N 275.392 3.950 30 20 CHED C=CCC(C)(C)c1noc([C@@H](CC(C)(C)C)NC)n1 843236003 YVRGCGZGCQOHAP-LLVKDONJSA-N 265.401 3.620 30 20 CHED N#Cc1ccc(C=NNc2cccc3ccccc23)o1 743437314 TWCPJONXZNXEIR-UHFFFAOYSA-N 261.284 3.750 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(Cl)c(C)c(Cl)c1 844522102 KBSSOIZGKUPFQG-SSDOTTSWSA-N 289.162 3.929 30 20 CHED C#CC(C)(C)N(C)Cc1ccc(OCc2ccccc2)nc1 846876266 ZZTIIYLYQMNZOC-UHFFFAOYSA-N 294.398 3.504 30 20 CHED C[C@H]1CC[C@H](C(=O)OC[C@@H](C#N)Cc2cccs2)CC1 845502882 PMOHUXRQQZWTAG-MGPQQGTHSA-N 291.416 3.800 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1nc(C2CC2)cs1)C1CC1 842940485 BDPYGPLICUPSAG-LZGFCCKTSA-N 272.373 3.553 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)C[C@H]1CCOC1 840887714 NKNAZTBZYNZYAJ-KBAYOESNSA-N 273.420 3.579 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 595538005 FZDVDZGENSJARE-GJZGRUSLSA-N 297.402 3.617 30 20 CHED CCN(Cc1nc(-c2ccc(C)cc2)cs1)[C@@H](C)C#N 595820723 PCKUKXJIKJJYAL-ZDUSSCGKSA-N 285.416 3.853 30 20 CHED C=CCOC(=O)/C(=C\c1ccccc1OC)c1ccccc1 916618007 APIBFTTWDSUZBB-VKAVYKQESA-N 294.350 3.965 30 20 CHED C=CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)cc1 680680424 PAQGBKMNVCAQGO-UHFFFAOYSA-N 293.326 3.672 30 20 CHED Cc1cccc(N(C)C(=O)CC2(C#N)CCCCC2)c1 597088239 DSMGGORTZXOZQI-UHFFFAOYSA-N 270.376 3.822 30 20 CHED O=C(O)c1ccc(/C=C2/CCc3cc(F)ccc3C2=O)cc1 747439247 AVUHZXVNUYJLST-ZROIWOOFSA-N 296.297 3.736 30 20 CHED C/C(=C\C(=O)N[C@H](C#N)CC(C)C)c1cccc(Cl)c1 749956074 WAPUMSRVLXAXTR-JQVXPOPVSA-N 290.794 3.798 30 20 CHED CCC(CC)[C@H](CC/N=C/c1ccccc1O)OC 746522681 PKNZJTVFDBKJHI-WLSWZUKCSA-N 263.381 3.652 30 20 CHED Cc1ccc(OC(=O)c2cccc(CC#N)c2)c(Cl)c1 740796432 ZOGVXTMVWOIUNV-UHFFFAOYSA-N 285.730 3.934 30 20 CHED C#CCCOc1ccc(C=NOCc2ccccc2)cc1 920375255 IZDVDVPCMRAHEK-UHFFFAOYSA-N 279.339 3.639 30 20 CHED C=CCCOCCN[C@H](c1ccc(C)cc1)c1cccnc1 925630798 CVNDQJBNBKNIDC-LJQANCHMSA-N 296.414 3.662 30 20 CHED CCCCCCCCNC(=O)[C@H]1CC1(Cl)Cl 754853354 GFVLXYHQNGGTSA-SNVBAGLBSA-N 266.212 3.657 30 20 CHED CCCCCCCCNC(=O)[C@H]1OCCc2ccccc21 754852440 BPOBQXBZABOEQH-KRWDZBQOSA-N 289.419 3.777 30 20 CHED CC/C(=C\C(=O)N[C@H](C#N)C(C)(C)C)c1ccc(C)cc1 754391626 JXLAKQOOCJABFR-WSYSLRRZSA-N 284.403 3.843 30 20 CHED N#CC1(C(=O)OCc2ccc3ccccc3n2)CCCCC1 920018923 JNRQNBASWFRTHV-UHFFFAOYSA-N 294.354 3.752 30 20 CHED C=CC(C)(C)CCOC(=O)[C@H]1CCC(=O)c2ccccc21 851300266 OXVKRVBNAIBUKN-HNNXBMFYSA-N 286.371 3.892 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCN(c2ccccc2)C1 925069098 DEGWVKHAOAMISM-HZPDHXFCSA-N 285.435 3.573 30 20 CHED CCCc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)OC)c2)cc1 753140985 DNDHNUFMRLMVLN-JXMROGBWSA-N 297.354 3.650 30 20 CHED CC(=NOCC1CC=CC1)c1ccc(NC(=O)C2CC2)cc1 853648901 OXQQPDYJTBHKJF-UHFFFAOYSA-N 298.386 3.742 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCN(C(C)(C)C)C1 855160193 PUMHFHMHWOQEMD-MRXNPFEDSA-N 296.499 3.974 30 20 CHED C=CCSCCN[C@@H](C)c1cc2c(cc1O)CCCC2 756681391 ITNGZNDNOMDSRL-ZDUSSCGKSA-N 291.460 3.841 30 20 CHED C#CCCCCC(=O)N(c1cccc(F)c1)C(C)C 857672866 HIOOSCHEORQGTN-UHFFFAOYSA-N 261.340 3.761 30 20 CHED Cc1cccc(C)c1/C=C/C(=O)c1cc(O)ccc1O 755598684 KUNSQFBSCIMWKE-VQHVLOKHSA-N 268.312 3.611 30 20 CHED C=C(C)CCN[C@H](C)c1cc(-c2ccccc2)no1 926519469 MJBRMQSLCSZJDO-CYBMUJFWSA-N 256.349 3.958 30 20 CHED Fc1cc(F)cc(NN=Cc2cccc3[nH]ccc23)c1 755662286 ZXLFVAYUMYHLDW-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCCC(=O)C(C)(C)C 851204863 DSZBVTVYGIYIML-LBPRGKRZSA-N 281.396 3.643 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(OCCCC)cc1Cl 754390386 SRZCRRBVNCRJBN-GFCCVEGCSA-N 293.794 3.661 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@H]2Cc2ccccc2)c1 752175496 JNLJCOCDCJXAEK-SFHVURJKSA-N 290.366 3.517 30 20 CHED C=CCCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 750834082 IUKNGNARRPXWDF-HUUCEWRRSA-N 279.449 3.992 30 20 CHED C#CCCCNCc1cc(-c2ccccc2)ccc1OC 756898064 FSNQOHGXHXINLU-UHFFFAOYSA-N 279.383 3.865 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](c1ccccc1)[C@@H]1CCCO1 924844854 CAHVCQXXAGHBGR-HYVNUMGLSA-N 286.419 3.825 30 20 CHED CCCC[C@@H](C(=O)Oc1cccc(OCC#N)c1)C(C)C 857034374 DSQRJHBZNBQJQP-MRXNPFEDSA-N 289.375 3.957 30 20 CHED C#CC[C@H](NC(=O)NC(C)(C)CCC)c1ccccc1 757768730 OPTWCHAXQJQTQW-HNNXBMFYSA-N 272.392 3.629 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cc(O)cc(O)c1 753689957 IPLAESSILSQNJI-UHFFFAOYSA-N 270.332 3.551 30 20 CHED C=CCCONC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 856034713 KOXQDOUCEWJICZ-ZIAGYGMSSA-N 273.376 3.600 30 20 CHED N#C[C@H](c1ccccn1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 850757147 WYTLGYJMNHFFCC-BZUAXINKSA-N 282.387 3.864 30 20 CHED CO[C@H](C=NOCc1ccc(F)cc1)C1CCCC1 853333935 XATNOCMBPWIAEP-OAHLLOKOSA-N 265.328 3.533 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(Cl)c2occc12 931574376 KUBZINSPZSBNKA-SNVBAGLBSA-N 290.750 3.754 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2cc(C)ccn2)cc1 755907377 YONXKTIYLISJQR-CYBMUJFWSA-N 283.375 3.990 30 20 CHED CC(C)N(CCC#N)C(=O)CCc1cccc2ccccc12 865081596 IVQCGCNPJCFAIC-UHFFFAOYSA-N 294.398 3.923 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cccc2nccn12 769607081 HVELKSPSIDVBSI-VQHVLOKHSA-N 292.338 3.547 30 20 CHED C#CCN(Cc1nc(C)c(C)o1)[C@@H]1CCCc2ccccc21 933422152 SOADZZRFIZNYIT-GOSISDBHSA-N 294.398 3.804 30 20 CHED CC(C)C=NNc1ncc(C(F)(F)F)cc1Cl 864372722 VRLCWLRZJYCNNS-UHFFFAOYSA-N 265.666 3.808 30 20 CHED CC1(C#N)CCN(c2cc(C(C)(C)C)nc(Cl)n2)CC1 872504437 MARASYQINQPHKZ-UHFFFAOYSA-N 292.814 3.558 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cncc(C)c1 767351519 CLTQHNSRRAZQBH-UHFFFAOYSA-N 282.372 3.836 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc(F)c([N+](=O)[O-])c1 769831162 VLBKAEVXQHUWFG-SECBINFHSA-N 265.288 3.712 30 20 CHED C=CCN(Cc1cc(C)ccc1OC(F)F)C(C)C 768550953 MMWAYSPXXLXNRD-UHFFFAOYSA-N 269.335 3.993 30 20 CHED FC(F)(F)CNN=C1CCSc2ccc(Cl)cc21 769810145 JPXNIZUCSGWIKM-UHFFFAOYSA-N 294.729 3.692 30 20 CHED C=CCN(C(=O)NCC1(CCOCC)CCCC1)C(C)C 761770592 CSGXAEXMWPSHHI-UHFFFAOYSA-N 296.455 3.579 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1cccc3nccn13)O2 769609444 JNXOFSDQJPPLSC-MHWRWJLKSA-N 290.322 3.567 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C[C@@H]1CCCC[C@@H]1C 767160211 POCFNJCFAUBTDL-STQMWFEESA-N 289.341 3.617 30 20 CHED C#Cc1cccc(N(CC)Cc2cccc3c2CCOC3)c1 864011420 XNRIYXBUGACKEW-UHFFFAOYSA-N 291.394 3.767 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](F)c1ccccc1 769387293 DZYKOJUHPXSKQX-MLGOLLRUSA-N 298.317 3.627 30 20 CHED C=CCNC(=S)N1CCC[C@@H]1c1cc(C)ccc1C 761818635 PJFLEJBUOFWFLM-OAHLLOKOSA-N 274.433 3.501 30 20 CHED N#CCOc1cc(F)ccc1NC[C@H]1C[C@H]2CC[C@H]1C2 762791384 TZCOYOIHARLBLZ-RWMBFGLXSA-N 274.339 3.576 30 20 CHED CN(CC(C)(C)C#N)C(=O)CCc1cccc2ccccc12 868558053 IDYHXZMMTHCVSM-UHFFFAOYSA-N 294.398 3.781 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCc1cccc2ccccc12 875815039 WRUHVWQLTXGGTD-MRXNPFEDSA-N 280.371 3.533 30 20 CHED COCCCON=C(C)CCc1c[nH]c2ccccc12 872375833 UTHCMUBDHXODFO-UHFFFAOYSA-N 274.364 3.530 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1cccnc1 777447567 HGYGYXXUIBHPCG-GOSISDBHSA-N 281.403 3.663 30 20 CHED CCCCCCCCC(=O)N1CCc2ncccc21 770317000 HGOWGWXLCOYZGF-UHFFFAOYSA-N 260.381 3.721 30 20 CHED Clc1cccc(C#CCOc2cccnc2Cl)c1 772862036 UAFQQLFZNMTWSM-UHFFFAOYSA-N 278.138 3.819 30 20 CHED CCC(CC1CCCCC1)=NOC1CCOCC1 872367138 PXLPNFDNPITBNZ-UHFFFAOYSA-N 253.386 3.918 30 20 CHED C=CCCCCCN(C)Cc1cc(F)ccc1O 779020242 KWQHPFHVOJSIQO-UHFFFAOYSA-N 251.345 3.710 30 20 CHED C#CC[C@H](OC(=O)[C@H](CC)CCC)c1ccccn1 873502904 HAXNHJWPEPDIMG-HIFRSBDPSA-N 259.349 3.516 30 20 CHED CC(C)c1ncc(/C=C2\C(=O)Nc3cc(C#N)ccc32)s1 773162042 SIDDPIFVYZYMNH-MLPAPPSSSA-N 295.367 3.631 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)ccc1C 773139627 LUYRDNUOSRAVOX-VURMDHGXSA-N 282.339 3.914 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)OCCC(C)(C)C#N)C1(C)C 776365409 GOZOTCOEONHFIM-OLZOCXBDSA-N 263.381 3.708 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 879108691 PQJKGXJUERIJOU-GDBMZVCRSA-N 271.404 3.993 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cnn(C)c1C 778537881 HVFBKAVGJBRJHY-ZDUSSCGKSA-N 298.434 3.927 30 20 CHED CCCCCC[C@@H](C)NN=C(C)[C@@H]1CCCOC1 779774906 OOHWKUKXZHQHQZ-UKRRQHHQSA-N 254.418 3.737 30 20 CHED C#CC[C@@H](NCc1cnc(Cl)s1)c1ccccc1 775403373 HJCJQIHWJODUKK-CYBMUJFWSA-N 276.792 3.651 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)c1ccccc1O 775413009 UJYZEIANOWVHSV-INIZCTEOSA-N 284.334 3.644 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 888288186 DNFBEJWCUXJFLF-GFCCVEGCSA-N 288.347 3.518 30 20 CHED C#CCCCCCC(=O)N1CCSc2ccccc21 779730538 LVYFICJGYTYGEN-UHFFFAOYSA-N 273.401 3.709 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](CC1CCC1)c1ccccc1 788037939 KPJYATOQXOUDEO-WMLDXEAASA-N 284.403 3.581 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)[C@H](C)CCC(C)(C)C 1123338278 ZQZWAUWQYZFZFT-OLZOCXBDSA-N 275.396 3.542 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H](CC#N)c2ccccc2)C1 1124859309 ZRJJWDGGOCQNMY-PVAVHDDUSA-N 284.403 3.721 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)c(OC)c1)C(C)C 788761253 KJRFBLCNYHKZCG-UHFFFAOYSA-N 282.771 3.777 30 20 CHED CC(C)OCCON=Cc1ccc(Cl)c(Cl)c1 782307373 QSOADNWROADCSN-UHFFFAOYSA-N 276.163 3.769 30 20 CHED C=CCCN(C)C(=O)/C=C(/CC)c1ccc(C)cc1 786223313 JQKKVCOWSPZMJE-SQFISAMPSA-N 257.377 3.823 30 20 CHED C=C[C@H](CC)CC(=O)O[C@H]1C[C@H](C)C(=O)C(C)(C)C1 1123045317 AOPWDCVKQAGRNJ-XQQFMLRXSA-N 266.381 3.526 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)[C@H](C)c1ccccc1 780252128 GLMBGXDLOSDIBP-XJKSGUPXSA-N 274.408 3.713 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2cccc(CC#N)c2)C1(C)C 894768432 WIXFNFDONFZVJQ-CVEARBPZSA-N 272.392 3.757 30 20 CHED CCN(CCCOc1cc(C)ccc1C)C[C@H](C)C#N 506059734 BKQJYXRFHCVZKH-OAHLLOKOSA-N 274.408 3.554 30 20 CHED C=CCNN=Cc1ccc(-c2nc3ccccc3s2)o1 794994775 YSOPUSRKXLYSAA-UHFFFAOYSA-N 283.356 3.666 30 20 CHED Fc1ccc(/C=C/C=NNc2cncc(Cl)n2)cc1F 794890402 AZCBDKQFJFIHRH-KKAYSIFJSA-N 294.692 3.519 30 20 CHED C=CC(C)(C)CC(=O)O[C@H](c1ccccc1)c1cnn(C)c1 892959869 JZVMIJQFRNXVNJ-QGZVFWFLSA-N 298.386 3.655 30 20 CHED CC(=NNc1ncccc1C)c1cccc(C)c1C 790185800 JISDPDSWZGCXJK-UHFFFAOYSA-N 253.349 3.843 30 20 CHED C=CCC[C@@H](C(=O)O[C@H](C)c1ccnn1C)c1ccccc1 791933567 BSDFWCMHHSPLNA-GDBMZVCRSA-N 298.386 3.774 30 20 CHED C=C(C)CCOC(=O)[C@@H](OC(C)C)c1ccccc1 796405963 HQCCJOQSRSJMSW-HNNXBMFYSA-N 262.349 3.662 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cccc(OCC)c1 797998145 ATPRULRYSBQPKH-HFTRVMKXSA-N 289.419 3.717 30 20 CHED CC(Cc1cccc(C(F)(F)F)c1)=NNc1ncccn1 799109066 UKRRRUGSKLSSHI-UHFFFAOYSA-N 294.280 3.526 30 20 CHED COc1ccc(CN(C)c2ccc(C#N)c(Cl)c2)cc1 61850955 NGOBPSZQPYKFPC-UHFFFAOYSA-N 286.762 3.857 30 20 CHED CC(C)c1ccc(N(C)C(=O)Nc2ccc(C#N)cn2)cc1 1208023854 WJBNGMMZSAHRFC-UHFFFAOYSA-N 294.358 3.745 30 20 CHED CC(C)c1ccc2cc(C(=O)N[C@]3(C#N)CC3(C)C)[nH]c2c1 794149086 XVCCQFPAYTXOLE-SFHVURJKSA-N 295.386 3.713 30 20 CHED CC[C@@H](C)NN=Cc1ccccc1OC1CCCC1 790191718 WKIIPNNHICLKHT-CYBMUJFWSA-N 260.381 3.730 30 20 CHED COCCCC(C)=NNCc1c(Cl)cccc1Cl 793118363 YTXMFPHIKAQLEN-UHFFFAOYSA-N 289.206 3.886 30 20 CHED Cc1cc(C)cc(OC(=O)/C=C/c2ccccc2C#N)c1 799586262 HEVWZRRVMFHBEM-BQYQJAHWSA-N 277.323 3.794 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1cc(C)c(C)o1 799883327 YDGDCFJWAUIOSX-UHFFFAOYSA-N 293.370 3.958 30 20 CHED CCCCCCCC(=O)N(C1CC1)C1(C#N)CCC1 790002665 MXLCFSYWEZPPTG-UHFFFAOYSA-N 262.397 3.784 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)C2(C#N)CCCC2)CC1 71202711 XZVDSRTUAAGFIP-AWEZNQCLSA-N 276.424 3.745 30 20 CHED CCCCCCCCN1CC[C@H](c2nccn2C)C1 767114684 DUDJMVVQYLLUJU-HNNXBMFYSA-N 263.429 3.570 30 20 CHED COc1ccc(C)cc1CNc1ccc(F)cc1C#N 97635309 AEISKJAUDGKTIV-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(CC)C1CCCC1 1301037108 QFVNZOFQDFYBPE-UHFFFAOYSA-N 294.830 3.677 30 20 CHED CC[C@@H](NCc1cccc(F)c1C#N)[C@@H]1CC1(C)C 1308825256 XGBDTKYVRWHJNJ-DZGCQCFKSA-N 260.356 3.612 30 20 CHED N#CCCCCCC(=O)Nc1ccn(C2CCCCC2)n1 1324974851 FMLDSQDKHZYTPO-UHFFFAOYSA-N 288.395 3.801 30 20 CHED N#Cc1ccnc(/C=C\c2cc(Br)cs2)c1 1324932124 AGYCHOQWERCZGX-UPHRSURJSA-N 291.173 3.948 30 20 CHED COc1ccc(C#N)cc1CSCc1ccc(F)cn1 1322277071 RYRWAAWADGTAGG-UHFFFAOYSA-N 288.347 3.534 30 20 CHED Cc1cccc([C@H]2CCCN2c2cccc(CC#N)n2)c1 1324084941 IHKBFVDSCFGELG-QGZVFWFLSA-N 277.371 3.798 30 20 CHED Cc1cc(C)cc(C[C@H](C)NC(=O)c2csc(C#N)c2)c1 1324774078 FYWVOOZRBZUQAX-ZDUSSCGKSA-N 298.411 3.598 30 20 CHED C#CCCCCC(=O)N(CCc1ccccc1)C(C)C 1320585448 JOKRFQSQZQXIRC-UHFFFAOYSA-N 271.404 3.660 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)c1ccsc1 1339281377 PQLFBYXZVXEKRZ-TZMCWYRMSA-N 263.406 3.809 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc2cc[nH]c12 1347521497 IZLWJOWYCAZBJW-AWEZNQCLSA-N 268.360 3.739 30 20 CHED CC(C)(C)CCNN=Cc1ccc(N2CCCC2)cc1 1342153466 FCSDPPNGTBNQBL-UHFFFAOYSA-N 273.424 3.647 30 20 CHED N#CCc1ccc(NC(=O)c2ccc3scnc3c2)cc1 1348915165 VGKCKBGTFNVUJG-UHFFFAOYSA-N 293.351 3.615 30 20 CHED CN(C(=O)c1cc(F)cc2ccoc12)c1cccc(C#N)c1 1356023942 HHHBPJGZMCVFRC-UHFFFAOYSA-N 294.285 3.720 30 20 CHED C[C@@H](NC(=O)Cc1ccc(C#N)cc1)C1CCCCCC1 1515032045 FTRUBQOVIVJMHZ-CQSZACIVSA-N 284.403 3.576 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(Cl)ncc1Cl 1514859602 SYAGRVXCPUTISR-JTQLQIEISA-N 299.201 3.959 30 20 CHED N#Cc1cccc(-c2nc(C3CCCCC3)no2)c1 109528827 ISTQLKHVMBAJBK-UHFFFAOYSA-N 253.305 3.656 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(CC)[C@H](C#N)CC 1289299971 XSWWOYAPDDWXQT-GJZGRUSLSA-N 264.413 3.744 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc(-c2nncs2)cc1 1518529289 FJKJLQTTYRUMII-LLVKDONJSA-N 288.372 3.713 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 1440189262 OOGSUTBMVJTQHC-WMZOPIPTSA-N 296.414 3.813 30 20 CHED CC(C)C[C@@H]1CCCCN1CCOc1ccccc1C#N 1459720590 NLKDDEGZPJNRKL-KRWDZBQOSA-N 286.419 3.838 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H]1CCC(C)C 1457790490 KSZIGRCGUIFPEG-MRXNPFEDSA-N 284.403 3.908 30 20 CHED C=C(CC)C(=O)N(Cc1ccc(OCC)cc1)C(C)C 1520905825 WEZAPJAIDHAFSE-UHFFFAOYSA-N 275.392 3.789 30 20 CHED N#CCc1ccc(COC(=O)c2ccc(C3CC3)cc2)cc1 1520641291 VZXQIZAENRBEJL-UHFFFAOYSA-N 291.350 3.987 30 20 CHED N#Cc1cc(=NCC2(c3ccc(Cl)cc3)CCC2)cc[nH]1 1458164575 UNOGLIJXYDDOMA-UHFFFAOYSA-N 297.789 3.562 30 20 CHED N#Cc1ccc(Sc2ccnc(-c3nccs3)n2)cc1 1458123213 UAFDTVNXGVEFDN-UHFFFAOYSA-N 296.380 3.623 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)Nc1cccc(C#N)n1 1537420915 OITKZVZLBPXXEJ-CQSZACIVSA-N 285.391 3.888 30 20 CHED CO[C@@H](c1ccccc1)[C@H](C)Nc1cc(F)cc(C#N)c1 1462501696 CRQAWNLNQLFTRP-YVEFUNNKSA-N 284.334 3.885 30 20 CHED O=C(/C=C/c1ccc(C(=O)O)o1)c1ccc(Cl)cc1 1601237102 BTRMJJWAOUUTMY-FNORWQNLSA-N 276.675 3.527 30 20 CHED N#Cc1ccc(C(=O)C2CCCC2)cc1C(F)(F)F 725326603 FXVDILQDIRDKSB-UHFFFAOYSA-N 267.250 3.950 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1C#N 1629742909 QICMKRCECSCSBL-UKRRQHHQSA-N 288.366 3.642 30 20 CHED Cc1ccc(-n2ccnc2S[C@@H](C#N)C2CC2)c(C)c1 1643526357 OLLYJMSBDIBXAY-HNNXBMFYSA-N 283.400 3.883 30 20 CHED CC[C@H](C)c1ccc([C@H](NC[C@H](O)CC#N)C(C)C)cc1 1644881599 WEOZEHWRCNOHSO-BMGDILEWSA-N 288.435 3.761 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2c1ccnc(C#N)c1 1651773170 ZPKJGUOJBNFFMM-UHFFFAOYSA-N 277.371 3.945 30 20 CHED Cc1cc(C)c(/C=C\CN(CCC#N)CCC#N)c(C)c1 1657597197 OKGSLVJKVNHIJV-DAXSKMNVSA-N 281.403 3.754 30 20 CHED Cc1c(NCc2cc(C#N)cs2)ccc(F)c1F 1656423631 DRTXLPUPXIAQAC-UHFFFAOYSA-N 264.300 3.819 30 20 CHED C[C@H](CCC#N)CNc1cc(C(=O)O)c2ccccc2c1 1592470271 GSOFJCCVNRDMQX-GFCCVEGCSA-N 282.343 3.890 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)o2)cc1C 1777433758 GISHXYVIRLYXFF-SREVYHEPSA-N 284.311 3.799 30 20 CHED CC[C@@H](NN=C1CCCC[C@@H]1C1CCCCC1)C(=O)O 1776066205 TVVCVZGSCXBMHS-ZIAGYGMSSA-N 280.412 3.566 30 20 CHED Cc1cccc2c1C(=NNc1ccc(F)c(C(=O)O)c1)CC2 1776063481 TVYCHMFPFZTHOG-UHFFFAOYSA-N 298.317 3.595 30 20 CHED CC[C@@]1(C)CCCC1=NNc1ccc(C(=O)O)c(F)c1 1776076009 RNUPSMWSXPGSNU-HNNXBMFYSA-N 278.327 3.892 30 20 CHED CC[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 135018940 CMRPZFNKKWPYJI-SNVBAGLBSA-N 268.282 3.813 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 150740250 GCVILLUEPDFYEI-CVEARBPZSA-N 293.451 3.712 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@H](C3CC3)C2)cc1Cl 160430010 LQKSSUQVUBGJKD-ZFWWWQNUSA-N 276.767 3.581 30 20 CHED O=C(/C=C/c1ccn(-c2ccccc2)n1)c1cccc(F)c1 160791080 BWZQVKYOXXOYHN-MDZDMXLPSA-N 292.313 3.908 30 20 CHED C[C@H](c1cccs1)N(C)Cc1ccc(F)c(C#N)c1 160880003 DBMZXMXCBMMIMH-LLVKDONJSA-N 274.364 3.952 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1F)CC2 151153900 FAZIJSGKZPUUGW-GOSISDBHSA-N 280.346 3.783 30 20 CHED CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 152263424 KFMINZCEMFQWFU-UKRRQHHQSA-N 270.376 3.737 30 20 CHED C=CCOc1ccc(CN[C@@H](C)CC)cc1Cl 237001328 CNKNGBZSJLRWBV-NSHDSACASA-N 253.773 3.793 30 20 CHED N#Cc1ccc(NCc2cccc(F)c2)cc1Cl 37389978 ZTHIPTFIPGQGKW-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1cccc(OCC#N)c1 252195528 SHKHMDVTMDBLSK-DVOMOZLQSA-N 258.365 3.826 30 20 CHED CCc1ccccc1C(=O)Nc1ccc(CC#N)cc1 152978029 SXRVKWAUQUADGJ-UHFFFAOYSA-N 264.328 3.567 30 20 CHED C[C@H](NCCc1cccc(F)c1)c1cccc(C#N)c1 37262413 VOEIICWYSKDDTF-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2C)cc1 165435785 SCTMJJDNKLYOSN-UHFFFAOYSA-N 264.372 3.807 30 20 CHED CCOc1ccccc1OCc1ccc(C#N)cc1C 165536685 PVNVDIKLIKVKRC-UHFFFAOYSA-N 267.328 3.844 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 44827956 XJWRFKMZAYNJKH-SECBINFHSA-N 270.254 3.502 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2c(s1)CCCCCC2 183920357 JGBCEKIYJHLYBV-CYBMUJFWSA-N 290.432 3.829 30 20 CHED Cc1ccc([C@H](O)COc2cc(Cl)ccc2C#N)cc1 402451598 SWXNKRGQRBOGCS-OAHLLOKOSA-N 287.746 3.633 30 20 CHED N#Cc1ccc(CN2CCC=C(Cl)C2)c(Cl)c1 404426019 MQWFHDRJIRWXLF-UHFFFAOYSA-N 267.159 3.540 30 20 CHED N#Cc1cncnc1Sc1ccc(Cl)c(Cl)c1 310378849 BTXYUXDXLXQCGI-UHFFFAOYSA-N 282.155 3.806 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC[C@@H]2C2CC2)s1 421351665 OGTSERYDBJXSCO-CABCVRRESA-N 260.406 3.678 30 20 CHED C=CCCC[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 398050672 DEYHBVPQLIIMCT-NSHDSACASA-N 264.325 3.760 30 20 CHED CC(C)c1ocnc1C(=O)Nc1ccc(Cl)c(C#N)c1 731903914 LPUUKBCEOYKATP-UHFFFAOYSA-N 289.722 3.575 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1ccc(CC#N)cc1 399024334 GRLKXUSRSAFFBK-JKIFEVAISA-N 256.393 3.667 30 20 CHED CCOc1ccc(C(C)=O)cc1COc1cccc(C#N)c1 7441540 RWKWCLMYFOYAHX-UHFFFAOYSA-N 295.338 3.739 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Sc1cc(F)ccc1F 7470365 SDBGGEAPVKMZDB-UHFFFAOYSA-N 292.266 3.896 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1F 7741020 LWRFPVWOAXOHQG-JXMROGBWSA-N 271.247 3.630 30 20 CHED COc1cc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)ccc1O 8322774 GPZOETMVNSQQLG-GQCTYLIASA-N 298.338 3.619 30 20 CHED CCc1cccc(CC)c1NC(=O)c1ccc(C#N)c(C)n1 31874832 WINHTMBLNCNEEH-UHFFFAOYSA-N 293.370 3.639 30 20 CHED N#CC1CCN(CCOc2c(Cl)cccc2Cl)CC1 32182013 RLNXACYGXGKNKT-UHFFFAOYSA-N 299.201 3.608 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 33476748 HYMLXSBUDHUSEG-KMKOMSMNSA-N 281.286 3.624 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1cccs1)C2=O 33689165 SUDXHEBZHUWWCA-ZRDIBKRKSA-N 270.353 3.969 30 20 CHED Cc1noc(C)c1CNc1cccc(OCCCC#N)c1 37777475 PURABOBIUGWGRL-UHFFFAOYSA-N 285.347 3.586 30 20 CHED O=C(/C=C\c1cccc(Cl)c1)c1ccc(O)cc1 38143120 RRETUMAHWMCIPI-WTKPLQERSA-N 258.704 3.942 30 20 CHED Cc1cccc(CNc2ccc(F)c(C#N)c2)c1C 51636232 LUCFLZGMSCNWQR-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1cccc(CCC(=O)N[C@H](C#N)C2CCCCC2)c1 51967835 ZQJHGAXRDTVARM-QGZVFWFLSA-N 284.403 3.516 30 20 CHED CCN(Cc1cccc(F)c1)Cc1ccc(C#N)cc1F 53897079 HWQYPBITUGYIRO-UHFFFAOYSA-N 286.325 3.859 30 20 CHED CC[C@@H](CC#N)NC1CCC(c2ccccc2)CC1 54182245 NXTWVBRZCXHIQS-CGZBRXJRSA-N 256.393 3.995 30 20 CHED C=C(Br)CSc1nc2ccccc2n1C 59925411 AIVLDFUGQVUOSR-UHFFFAOYSA-N 283.194 3.574 30 20 CHED Cc1ccc(C#N)c(NCc2ccccc2C(F)(F)F)n1 61627122 USVVWYGJRGQLJR-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCOc1cccc(CNc2ccc(Cl)c(C#N)n2)c1 67368137 SAKUYIUCRQCVRC-UHFFFAOYSA-N 287.750 3.617 30 20 CHED C[C@H]1CSCCN1c1ccc(C(F)(F)F)cc1C#N 70222505 WUSXWWOCLGIEDE-VIFPVBQESA-N 286.322 3.519 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CCCSCC#N 74991184 AZJNVXHZJFXSBN-HIFRSBDPSA-N 292.423 3.650 30 20 CHED CCC[C@H](C)CC(=O)N[C@H](C)c1cccc(C#N)c1 75272006 IUTQZSWMSKPUGU-QWHCGFSZSA-N 258.365 3.562 30 20 CHED Cc1ccc(CCCC(=O)N(CC#N)C2CCCC2)s1 79525140 DDQGIEHIOVJXFC-UHFFFAOYSA-N 290.432 3.674 30 20 CHED CC(C)c1ccc([S@@](=O)Cc2ccc(C#N)cc2)cc1 84260465 LFQOOAUKZLVSGV-HXUWFJFHSA-N 283.396 3.989 30 20 CHED N#Cc1ccc(Cl)cc1NCCCOCC(F)(F)F 86114599 BWADQZDIJQCCGF-UHFFFAOYSA-N 292.688 3.593 30 20 CHED N#CCC1(CNc2ccccc2C(F)(F)F)CC1 88249414 WKYKWOLJWQRIBD-UHFFFAOYSA-N 254.255 3.811 30 20 CHED N#Cc1c(Cl)nsc1Sc1cccs1 92611177 PAADXIQLCPJZMT-UHFFFAOYSA-N 258.780 3.881 30 20 CHED C=CC1CCN(Cc2cc(Cl)c(OC)c(OC)c2)CC1 93359223 QCTSVLPZSVEPQT-UHFFFAOYSA-N 295.810 3.755 30 20 CHED N#Cc1ccc(N2CCC3(CCCC3)CC2)cc1[N+](=O)[O-] 94593188 WIZZZZNDPRDQIL-UHFFFAOYSA-N 285.347 3.627 30 20 CHED CCC1(CC)CCN(c2nc(C)cc(C)c2C#N)C1 94802827 GRANCSGESSLFQZ-UHFFFAOYSA-N 257.381 3.587 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1CCO 103216882 LVIRUTSUMDFKNM-HNNXBMFYSA-N 269.429 3.501 30 20 CHED COc1cc(C#N)ccc1OC(=O)CCCC(C)(C)C 103359450 KSCYRQFPKHKMMJ-UHFFFAOYSA-N 275.348 3.689 30 20 CHED N#Cc1ccc(NCCOc2ccc(F)cc2)cc1Cl 105728108 CTKLMGKFLHUMIS-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CC(C)=CC(=O)Nc1ccccc1SCCC#N 108201510 FVYPNFGLRCKJTK-UHFFFAOYSA-N 260.362 3.597 30 20 CHED CC(C)[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 112675891 OHJDFOAJDBOORO-IRXDYDNUSA-N 256.393 3.863 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC(C)C)cc1 117001404 AJGPDEOYXBFZIP-LBPRGKRZSA-N 262.353 3.560 30 20 CHED N#Cc1cccc(OCCSC2=Nc3ccccc3C2)c1 118606471 NEYBTHFTSOXRFO-UHFFFAOYSA-N 294.379 3.957 30 20 CHED N#Cc1ccccc1/C=C1/CCOc2ccc(F)cc2C1=O 121004519 KFCDTLRPLXYMSN-LCYFTJDESA-N 293.297 3.746 30 20 CHED CCNc1nc(SCCCCC#N)nc2ccccc12 122189561 NDQMVOPYIJBIHD-UHFFFAOYSA-N 286.404 3.848 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1cccc(Cl)c1 122213045 LGHLTKVRBWJXOI-CYBMUJFWSA-N 250.773 3.930 30 20 CHED Cn1c([C@H](C#N)C(=O)CCC2CCCC2)nc2ccccc21 122635800 LXSJIONTRHGIRL-CQSZACIVSA-N 295.386 3.720 30 20 CHED C=CCN(Cc1ccccc1)Cc1nc2ccccc2[nH]1 123693267 RHKTXVUKSZPRCJ-UHFFFAOYSA-N 277.371 3.751 30 20 CHED CCCCn1c(S[C@@H](C#N)CC)nc(C)c1C 127424728 DGYHWVOKSIKSGQ-GFCCVEGCSA-N 251.399 3.694 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cnc(C2CC2)s1 131201602 UNLFWLILAPHZLR-UHFFFAOYSA-N 283.400 3.524 30 20 CHED CC[C@H](CSc1ccccc1)NCc1ccc(C#N)o1 131671408 RWXIHZLQHRRKPF-CYBMUJFWSA-N 286.400 3.812 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2ccsc2C1 132593230 BDGPAWQYAHXYGZ-GFCCVEGCSA-N 268.385 3.739 30 20 CHED C[C@H]1CC[C@H](Nc2c(C#N)cnc3ccccc23)C1 132736476 CSIKAAUPRJPGFL-AAEUAGOBSA-N 251.333 3.707 30 20 CHED CCC(N)(CC)CNc1ccc(C#N)c(C(F)(F)F)c1 133503567 UKWYRJVEZHXVNF-UHFFFAOYSA-N 285.313 3.506 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCCc3sccc32)CC1 136603136 XIPCANWGHHCNSN-AWEZNQCLSA-N 290.432 3.733 30 20 CHED Cc1cc(Cl)ccc1OC[C@@H](O)c1ccc(C#N)cc1 152867496 QGUPZHKYTWIOLC-OAHLLOKOSA-N 287.746 3.633 30 20 CHED COc1cccc2c1CC[C@@H]2N[C@H](C)c1cccc(C#N)c1 153712645 JSHLEYDSTLBZCL-ACJLOTCBSA-N 292.382 3.905 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 156220909 NVWDJPNWUDKAHJ-LSDHHAIUSA-N 292.810 3.804 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccccc2O)cc1 156600888 KHQRQSDKEJJNGW-YKWSONSWSA-N 293.322 3.579 30 20 CHED CCCCCN(CCCCC)C(=O)c1ccc(C#N)[nH]1 158652343 IDNBGOXFMIXVEW-UHFFFAOYSA-N 275.396 3.709 30 20 CHED N#Cc1cc(Cl)ccc1N1CC=C(C(F)(F)F)CC1 160252470 JWSXTUCEXRVMAA-UHFFFAOYSA-N 286.684 3.910 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 161057418 LOOGFLYPBFLJEB-RYUDHWBXSA-N 283.293 3.501 30 20 CHED N#Cc1ccc(CN2CCc3sccc3C2)c(Cl)c1 162856605 VAOMKMNFZNVECF-UHFFFAOYSA-N 288.803 3.831 30 20 CHED Cc1ccccc1CN(C)Cc1ccc(C#N)cc1C 165448921 WLHLLUSIAVERGF-UHFFFAOYSA-N 264.372 3.807 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1cccc(OCCCC#N)c1 171926470 GMLLRJXAVIXQHU-CYBMUJFWSA-N 274.364 3.600 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(C#N)c2)C1 174441979 PFCIQWVMMCQQJJ-CHWSQXEVSA-N 271.364 3.601 30 20 CHED COc1ccsc1C(=O)O[C@H](C)c1ccc(C#N)cc1 175758744 FSBPONGHBCLYHO-SNVBAGLBSA-N 287.340 3.546 30 20 CHED Cc1ncsc1/C=C1\CCc2cc(F)ccc2C1=O 176940323 FGSBASRAQKDLIY-YRNVUSSQSA-N 273.332 3.803 30 20 CHED C#CCCCN[C@H](C)c1ccc(F)c(Br)c1 178053751 SQHAHXSXCHNMBC-SNVBAGLBSA-N 284.172 3.652 30 20 CHED CC(C)[C@@H]1OCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 178693140 HSNYGWUCWQHUMN-WBAXXEDZSA-N 286.419 3.660 30 20 CHED C=CCCCC(=O)Nc1cc(C)ccc1-n1cc(C)cn1 178835510 CXTHIPWAEAZQQG-UHFFFAOYSA-N 283.375 3.784 30 20 CHED C#CCCCCC(=O)NCc1cccc(C(F)(F)F)c1 179635571 ZPJOPLDXACTOFW-UHFFFAOYSA-N 283.293 3.515 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1-c1nnc(C)o1 179795296 ADYWRYGUWLDGRQ-GFCCVEGCSA-N 299.374 3.520 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1cnn(C(C)C)c1 182287117 CWWMBJWTZMSCKH-FNORWQNLSA-N 272.323 3.808 30 20 CHED C[C@H](C#N)CNC1CCC(C)(c2ccccc2)CC1 183813339 PHARQDBOEDQXRF-ODIFPOPNSA-N 256.393 3.636 30 20 CHED CC(C)Oc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1C#N 185894060 DFVHHIJPHANVIB-HIFRSBDPSA-N 283.375 3.840 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](C)C1CC1)c1ccccc1 186249593 VYSRRBMIDAXLCG-XJKSGUPXSA-N 257.377 3.651 30 20 CHED C=CCSCCN[C@@H](C)c1csc(C(C)C)n1 186395501 FOFXIBIDFCNIRB-NSHDSACASA-N 270.467 3.836 30 20 CHED C=CCC[C@@H](CCC)NCCc1nn(C)c2ccccc12 186482753 LMSLTTZXBCQAHC-OAHLLOKOSA-N 285.435 3.840 30 20 CHED N#CCCCCSCCOCC(F)(F)C(F)(F)F 190125265 AIUVOQOQDDGJRZ-UHFFFAOYSA-N 291.285 3.628 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(NC(=O)OCC)cc1 190642733 YVCYHJYRAYGZDC-MRXNPFEDSA-N 290.363 3.796 30 20 CHED C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)[C@@H]1c1cccc(F)c1 191413588 CNDJTCWSOOTVHG-ACJLOTCBSA-N 297.377 3.619 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 192038603 ISOKWMJLGRRDPN-NSHDSACASA-N 283.293 3.686 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccsc2)ccc1O 194615342 OCFQQNOUFLIUDE-HWKANZROSA-N 274.341 3.749 30 20 CHED CC(C)N(CC1CCC1)C(=O)CCc1ccc(C#N)cc1 195147926 GUWVBDFDGZFGLB-UHFFFAOYSA-N 284.403 3.528 30 20 CHED CC1(C)OB(/C=C\CCc2ccccc2)OC1(C)C 196224225 XMYNGYPSTGHXEL-LCYFTJDESA-N 258.170 3.807 30 20 CHED C#CCCCCNC(=O)c1cc2c(s1)CCCCC2 229746688 PKEFLIGCQMRUOR-UHFFFAOYSA-N 275.417 3.550 30 20 CHED Cc1ccc(C#N)cc1OCc1cc(F)ccc1F 229947479 XEFHNCUMEUAZGQ-UHFFFAOYSA-N 259.255 3.724 30 20 CHED N#Cc1ccc(COc2ccc3c(c2)C(=O)CCC3)cc1 236404100 XFZFBSGGOVFDAO-UHFFFAOYSA-N 277.323 3.656 30 20 CHED C#CCOc1ccc(CNC(C)(C)c2cccc(F)c2)cc1 236696259 YSCYABALWWQYHG-UHFFFAOYSA-N 297.373 3.863 30 20 CHED CC(C)(CCC#N)CN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 253028355 PDRODDFPDWEVFN-RBGFHDKUSA-N 260.425 3.731 30 20 CHED CCCOc1cc(/C=C\C(=O)c2ccncc2)ccc1OC 255037952 YJVHZXUWALVHAS-XQRVVYSFSA-N 297.354 3.775 30 20 CHED C=CCN1CCC(/N=C\c2c(O)ccc3ccccc23)CC1 255312943 WRWLAUPOMAJIFS-ZHZULCJRSA-N 294.398 3.615 30 20 CHED Cn1c(C2CC2)nc2cc(N=Cc3ccccc3O)ccc21 255334028 OFMIYUYSERWXCK-UHFFFAOYSA-N 291.354 3.907 30 20 CHED CCOc1cccc(/C=C\C(=O)c2occc2C)c1 255626788 IABBXEXNPMKQMR-FPLPWBNLSA-N 256.301 3.883 30 20 CHED Cc1nc(NCCCCC#N)c2c3c(sc2n1)CCC3 264242694 VLQKUCBMQIAQAZ-UHFFFAOYSA-N 286.404 3.594 30 20 CHED N#Cc1ccc(S[C@H](C#N)C2CCCCC2)nc1 265145102 CTYTYVFMZBCDJX-CYBMUJFWSA-N 257.362 3.518 30 20 CHED C[C@@H](CCSc1ccccc1)N(C)C[C@@H](C)C#N 269266699 HCQCNBDZBMWMIB-KBPBESRZSA-N 262.422 3.649 30 20 CHED CCCCCCCC(=O)Nc1ccccc1-c1nnc[nH]1 269948911 UNQXFAGKGBWGEO-UHFFFAOYSA-N 286.379 3.771 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)c1cccs1)OCC 270060744 USIHDDXAIZVNPL-QWHCGFSZSA-N 281.421 3.639 30 20 CHED COCC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccco1 272531008 JCVSLPJLFXQWEH-CJNGLKHVSA-N 284.359 3.580 30 20 CHED C[C@H](NCC[C@H]1CCO[C@H](C)C1)c1ccc(C#N)c(F)c1 273265344 NNMYOWGMNKMBKC-RDBSUJKOSA-N 290.382 3.553 30 20 CHED Cc1csc([C@H](C)CNc2ccc(C#N)cc2F)n1 273383946 ZFEWJRLZYOWSKR-SECBINFHSA-N 275.352 3.678 30 20 CHED C[C@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1cccc(F)c1 274296139 DUSBJWYLYZKEBR-PXAZEXFGSA-N 290.382 3.764 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(OCC#N)cc1 274420724 HAGOVMJXGWDXCK-AWEZNQCLSA-N 258.365 3.596 30 20 CHED C=CCC[C@@H](NC(=O)N(C)CCC=C)c1ccccc1 276066168 JECPTIYRMSVBNQ-MRXNPFEDSA-N 272.392 3.911 30 20 CHED C=CCC[C@H](CC)N[C@@H](Cc1nc(C)no1)c1ccccc1 277119874 NLNVSJBEWVECRT-IRXDYDNUSA-N 299.418 3.996 30 20 CHED CC[C@@H](NCC1(CCO)CCCC1)c1ccc(C#N)cc1 278904372 ZQPZHRWCJQUVQU-QGZVFWFLSA-N 286.419 3.542 30 20 CHED Cc1ccc(C(=O)NC2(C#N)CCCCC2)c(F)c1Cl 279244455 OMSDFRJDZYHKRS-UHFFFAOYSA-N 294.757 3.744 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)o1 279760517 ZSBDQOZTHXBXFJ-DZGCQCFKSA-N 284.334 3.716 30 20 CHED Cc1cc(C)c(NC(=O)c2cc(C#N)oc2C)c(C)c1 280741441 LHIMMUGJLPWUTK-UHFFFAOYSA-N 268.316 3.637 30 20 CHED CCCCOc1cccc(NC(=O)c2cc(C#N)oc2C)c1 280850957 YLBQFCKNGPMAET-UHFFFAOYSA-N 298.342 3.891 30 20 CHED Cc1cccc(NCCCC2(C#N)CCOCC2)c1 281161597 KPLCYPAYBJZQAE-UHFFFAOYSA-N 258.365 3.508 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)c1ccc(OC)cc1 281421127 QUWVPSSUPJPQCM-HIFRSBDPSA-N 290.407 3.752 30 20 CHED C=CC[C@@H](CC)N[C@H]1Cc2[nH]c3ccccc3c2C1 282258156 JUDGFPLOWSGBFG-CHWSQXEVSA-N 254.377 3.579 30 20 CHED CC[C@H](CC#N)NCc1c(F)cccc1OC(F)(F)F 284416041 QWWLEDUEATYYHG-SECBINFHSA-N 290.260 3.506 30 20 CHED CC[C@](C)(C#N)C(=O)NC1CCC(c2ccccc2)CC1 285113191 JYGJXDKYNQPLTN-LEOMRAHMSA-N 284.403 3.769 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2cccc(Cl)c2)no1 285238136 GIESHVLKOFHQAJ-ZDUSSCGKSA-N 261.712 3.581 30 20 CHED CC(C)c1ccc2occ(C(=O)N(C)[C@@H](C)CC#N)c2c1 286135259 NETFCSCJDNMXER-LBPRGKRZSA-N 284.359 3.930 30 20 CHED C[C@H]1CCCc2ccccc2[C@H]1NC(=O)CCCC#N 291895990 KNXBITKMWFAYAJ-GUYCJALGSA-N 270.376 3.510 30 20 CHED COc1cccc(C=C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 292735807 GYRBOBBVBYTMSZ-MSOLQXFVSA-N 296.414 3.867 30 20 CHED C=CCC[C@@H](NC(=O)c1ncoc1C1CC1)c1ccccc1 293748425 QNCNTCQJBVWGBJ-OAHLLOKOSA-N 296.370 3.989 30 20 CHED Cc1cc2occ(CC(=O)N(C)[C@H](C)C#N)c2cc1C(C)C 294380890 IECCEELMVWCBFP-CYBMUJFWSA-N 298.386 3.778 30 20 CHED COc1ccccc1C[C@@H](N[C@H](C)CCC#N)C(C)C 298838012 HUGRUZWJHIWULC-GDBMZVCRSA-N 274.408 3.544 30 20 CHED CCN(Cc1ccoc1)c1nc(C(F)(F)F)ccc1C#N 301286143 LVECYYIAWVUSOD-UHFFFAOYSA-N 295.264 3.592 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCOc2ccc(F)cc21 301409570 XFHQIIHIJXGSIM-OAHLLOKOSA-N 286.281 3.772 30 20 CHED CCc1cnc(CN(C)c2c(Cl)cccc2C#N)s1 301461911 DYFLHZMGRPPDGJ-UHFFFAOYSA-N 291.807 3.867 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1Nc1ncccc1C#N 301889845 QPHYAWCXFXVKOW-WBMJQRKESA-N 263.344 3.689 30 20 CHED C[C@@H](CCc1ccccc1)Nc1c(C#N)cccc1C#N 302478320 VUQORNSZVGKPFW-AWEZNQCLSA-N 275.355 3.863 30 20 CHED Cc1ccc(N/C(N)=N/Cc2ccccc2Cl)cc1C 303700137 HKCYQKQUIRZEIS-UHFFFAOYSA-N 287.794 3.884 30 20 CHED C=C(Br)CN(CC(C)C)C1CCCC1 308564361 HBIDWKLDFMMDCT-UHFFFAOYSA-N 260.219 3.796 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc(Cl)cc(C)c1O 309545073 GTTSAZXPMDGKSA-VIFPVBQESA-N 260.164 3.757 30 20 CHED Cc1noc(C2CC2)c1N=C(O)[C@@H]1CCC(F)(F)C1 330091717 YAAGCTPHACTBAV-SECBINFHSA-N 270.279 3.884 30 20 CHED CCC1CCC(C/N=C(/O)[C@H](C)c2cncnc2)CC1 330293345 HSJALXXVENRDMS-IYXRBSQSSA-N 275.396 3.753 30 20 CHED CC[C@H](C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 330912062 WMFOHDNLBDGWDU-HNNXBMFYSA-N 288.366 3.662 30 20 CHED CCOc1ccc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)cc1 331278995 JVOQYTHUCQFMJO-WCQYABFASA-N 262.353 3.600 30 20 CHED COc1ccc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 334166921 AHLKALJMIIQEPJ-YOEHRIQHSA-N 284.403 3.567 30 20 CHED Cc1csc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 334890514 OHTXHYIVYWBCNH-MRXNPFEDSA-N 268.385 3.705 30 20 CHED N#CCN(Cc1cnc2ccccc2c1)C1CCCC1 336825652 AKTKSJYABMRXEL-UHFFFAOYSA-N 265.360 3.503 30 20 CHED C=CCC[C@H](NC(=O)NC1(C)CCC1)c1ccccc1 339101920 GWNRYJZACCHVHO-HNNXBMFYSA-N 272.392 3.936 30 20 CHED COc1cccc([C@@H](C)Nc2ncc(C#N)cc2Cl)c1 339140598 MZKHOAALPQGQAY-SNVBAGLBSA-N 287.750 3.788 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CC[C@@H](CC)O2)n1 340789334 BUQHIZYPLZDKKN-GHMZBOCLSA-N 250.342 3.553 30 20 CHED CCC(CC)[C@@H](NC(=O)CSCC#N)c1ccccc1 341132845 JERHYCVLKPZSSX-MRXNPFEDSA-N 290.432 3.537 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H]1SCC 343623439 OYDBDYFUXPGHDJ-UONOGXRCSA-N 267.438 3.545 30 20 CHED Cn1cc(NCc2cc(C#N)cs2)c(-c2ccccc2)n1 344317415 AFHBJHPKPBHMLH-UHFFFAOYSA-N 294.383 3.632 30 20 CHED N#C[C@@H](C(=O)c1cc(F)c2ccccc2c1)c1ccccn1 344728824 DKYJBDNXLDNYDV-OAHLLOKOSA-N 290.297 3.864 30 20 CHED N#Cc1ccc(CNC[C@H]2SCCc3ccccc32)cc1 344769276 UYWDCRHTFFLAAX-GOSISDBHSA-N 294.423 3.678 30 20 CHED C=CCn1cccc1-c1nc([C@H]2CCc3ccccc32)no1 346524814 GXOHVTFYBWQOJT-HNNXBMFYSA-N 291.354 3.802 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cccc(Cl)c1F 348087707 QZGXHSIKTLOBQB-UHFFFAOYSA-N 297.761 3.931 30 20 CHED CC1(C)CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 353260906 UIYIJFVDVKIVBN-ZBFHGGJFSA-N 254.377 3.714 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cc(F)ccc1Cl 354976583 MTSZKZPFUFXPPR-UHFFFAOYSA-N 282.746 3.539 30 20 CHED C=CCC(C)(C)C(=O)N(C)C1CCC(F)(F)CC1 355340441 UAVKBQBCZACSJP-UHFFFAOYSA-N 259.340 3.625 30 20 CHED C=CCN(Cc1cccc(C#N)c1)[C@@H](C)c1ccccn1 355684848 VNWCTBLWCYWKAU-HNNXBMFYSA-N 277.371 3.702 30 20 CHED C[C@@H](c1noc(-c2cccc(C#N)c2)n1)c1cccs1 357016285 MWDXGLXQPVTWDM-SNVBAGLBSA-N 281.340 3.822 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@@H]1c1cccc(Cl)c1 357666594 YVUSXCMNZDYQBP-OCCSQVGLSA-N 269.735 3.575 30 20 CHED C=C(CNCc1nccn1-c1ccccc1)c1ccccc1 359728028 GUODZPYEZCODQE-UHFFFAOYSA-N 289.382 3.675 30 20 CHED C=CC[C@H](CC)NC(=O)c1sc(C(F)(F)F)nc1C 360534057 DIPWXAFRXVIYER-QMMMGPOBSA-N 292.326 3.555 30 20 CHED C#C[C@H](CC)NCc1ccc(Br)cc1SC 381414470 VQIPXVFYSQAZHD-GFCCVEGCSA-N 298.249 3.672 30 20 CHED C=CCCC[C@H](C)NC1CC(C#N)(c2ccccc2)C1 398160341 HWZSYVIPBZHSBV-ZLPCBKJTSA-N 268.404 3.945 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)Nc1ncc(C#N)cc1F 413172454 BTZCQVQWMPOKRL-VXGBXAGGSA-N 269.323 3.696 30 20 CHED C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1C[C@H]1C 414069053 BMKIFUAMRKJFIY-AWYCJPSDSA-N 298.430 3.882 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416676668 CVTXOMXRDSHYEL-STQMWFEESA-N 272.392 3.889 30 20 CHED C=CCCc1noc([C@H]2CC(C)(C)Oc3ccccc32)n1 420500714 HAZIONQBRPRWEH-ZDUSSCGKSA-N 284.359 3.881 30 20 CHED N#Cc1ccc(CNC2(Cc3ccccc3)CC2)cc1F 421338804 FUTWPWOHMONFIL-UHFFFAOYSA-N 280.346 3.562 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1C(=O)NCCCCC#N 422152593 AFIURPZAXNJWNP-INIZCTEOSA-N 299.418 3.658 30 20 CHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(C)ccc1OC 424319137 DYDYOFPAVNKPTP-SQWLQELKSA-N 272.392 3.737 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)c1ncc(C(=O)OC)s1 424327896 NEOGNFODLMTGHE-NEPJUHHUSA-N 296.436 3.715 30 20 CHED COCc1cc(Cl)ccc1NCCC(C)(C)C#N 424577752 PSDFWQCDQPQHPU-UHFFFAOYSA-N 266.772 3.838 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cccc(OC(F)F)c1 424633271 YWWZTHKIISIIFU-UHFFFAOYSA-N 283.318 3.507 30 20 CHED C=CCCCCNC(=O)c1cnn(CCC(C)C)c1CC 427058905 HCWBKNVYXMFHEY-UHFFFAOYSA-N 291.439 3.578 30 20 CHED C=C(C)CNC(=O)Nc1cccc(O[C@H](C)CC)c1 429375084 XHRMHQGMJADGQH-GFCCVEGCSA-N 262.353 3.562 30 20 CHED CCc1ccc([C@H]2CCN(c3cc(C#N)cc(C)n3)C2)cc1 431511469 LELSFTXBCBHROD-SFHVURJKSA-N 291.398 3.818 30 20 CHED N#Cc1ccc(Cl)cc1OCCOC1CCCC1 431941107 WAORKLADTWZVBA-UHFFFAOYSA-N 265.740 3.550 30 20 CHED C=CCC[C@H](NC(=O)CSCCC)c1ccccc1 435281125 VSSZDHFACBSDLV-HNNXBMFYSA-N 277.433 3.953 30 20 CHED C=CCC[C@@H](NC[C@H](C)Oc1cccc(OC)c1)C1CC1 438984332 DXUSKRGBPVDFIW-KBXCAEBGSA-N 289.419 3.797 30 20 CHED CCCCN(C)c1c(C#N)cnc2c(F)c(F)c(F)cc12 439130043 JPRJWCJIMZTSPR-UHFFFAOYSA-N 293.292 3.760 30 20 CHED Cc1cccc(O[C@@H](C)CNCc2ccc(C#N)c(C)c2)c1 443996422 UQGZRFZONCZNEX-INIZCTEOSA-N 294.398 3.732 30 20 CHED C=CC[C@H]1N(Cc2cccc(C)n2)CCCC1(C)C 444791456 MYXDPHCVXPMAJR-MRXNPFEDSA-N 258.409 3.957 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)n1C)[C@H](C)CCC 448803953 GMIGLTXRWYDDAX-CQSZACIVSA-N 289.423 3.718 30 20 CHED C=CCC1(C(=O)Nc2nc(C)cs2)CCCC1 449184625 FOUPGBJQMUKVAG-UHFFFAOYSA-N 250.367 3.527 30 20 CHED C=C(CC)CNC1CCN(Cc2ccccc2Cl)CC1 449735455 QVNXSFDTARFIDF-UHFFFAOYSA-N 292.854 3.860 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CCCCC1 450636721 OFCOQLSYNBZWAN-HZPDHXFCSA-N 291.435 3.587 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1c1ccc(C#N)nc1 450918126 ZLFWXNOKHHIQMN-QGZVFWFLSA-N 281.334 3.742 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c(Cl)c1 451208882 BKFAWCHRVLAKII-ZUZCIYMTSA-N 292.766 3.615 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)c1ccc(F)c2ccccc12 451788116 NZNMKHOUIWBIDP-OAVHHTNSSA-N 296.345 3.706 30 20 CHED C=C(C)CCNC(=O)c1ccc(C)c(C)c1Cl 452716055 GFUCNGQMPHXJQD-UHFFFAOYSA-N 251.757 3.653 30 20 CHED N#CCC[C@@H](C#N)CN1CC2(CCC2)[C@@H]1c1ccccc1 453030664 YKEMUEINTTVDAS-RDJZCZTQSA-N 279.387 3.657 30 20 CHED C[C@H](NC[C@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 453309924 FDWMLDBALSDTSZ-HOCLYGCPSA-N 284.403 3.558 30 20 CHED CCC[C@@H](NCc1ccc(C#N)c(F)c1)c1cccnc1 453397123 ZCUCHAKOYRKHER-QGZVFWFLSA-N 283.350 3.723 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 454430446 CWNDAHSSZXRWFK-UHFFFAOYSA-N 271.364 3.575 30 20 CHED C=C(CC)CNC(=O)c1ccccc1COC(C)(C)C 456810929 HOJJACCBRQSSLR-UHFFFAOYSA-N 275.392 3.698 30 20 CHED C=C(CC)CNC(=O)c1cc(C)c(C)cc1Cl 456813261 PXKXNOFKYKGFLQ-UHFFFAOYSA-N 251.757 3.653 30 20 CHED CC(C)CCCCC(=O)N(CCC#N)Cc1cccnc1 457513585 SYQQDUYKWIGLNR-UHFFFAOYSA-N 287.407 3.540 30 20 CHED CC#CCCN1CCCC[C@@H]1c1ccc(F)cc1F 462338178 HCPOLDPXWROTEH-MRXNPFEDSA-N 263.331 3.905 30 20 CHED C=CCCCCCN(C)c1ccc([N+](=O)[O-])c(OC)c1 462865075 ZROYXKAZSQLYBQ-UHFFFAOYSA-N 278.352 3.786 30 20 CHED Cc1ccsc1CCCC(=O)N[C@@](C)(C#N)C(C)(C)C 464166126 FZBDGJIBLBFRMY-INIZCTEOSA-N 292.448 3.824 30 20 CHED N#Cc1cccc(CCNC/C=C\c2ccc(F)cc2F)c1 466413659 DCKJUVBRYSNMJS-DJWKRKHSSA-N 298.336 3.682 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)C(F)(F)F 470645631 RHUZBXBKNONBSM-LBPRGKRZSA-N 285.309 3.790 30 20 CHED C=CCCCCN[C@@H](C(=O)N(CC)CC)c1ccccc1 471884824 MIJITDBOOHNXPB-QGZVFWFLSA-N 288.435 3.542 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 472835230 OFBKIFQXOXODGL-DOTOQJQBSA-N 286.419 3.930 30 20 CHED C=CCCCCNC(=O)NCc1ccc(Cl)cc1OC 472855876 WAHCMLOZFUEJHC-UHFFFAOYSA-N 296.798 3.504 30 20 CHED C=C[C@H](C)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 473874851 HLNOBIMWWWGNPS-LBPRGKRZSA-N 279.811 3.990 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ncoc1-c1ccccc1 473949274 VZWXPOPCDUNALJ-QGZVFWFLSA-N 284.359 3.560 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC12CCCC2 474352057 DUMGXFLMDRZNFX-QGZVFWFLSA-N 299.414 3.790 30 20 CHED C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[C@@H](C#N)C1 481999774 QOLVMNANRIHSOS-YRGRVCCFSA-N 296.336 3.918 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(C)c1 488874376 CDQXZOHEGSKWBK-ZDUSSCGKSA-N 263.768 3.829 30 20 CHED C=CCn1cccc1C(=O)N1Cc2ccccc2C[C@H]1CC 488908169 HJQLPYSLDYMZJT-QGZVFWFLSA-N 294.398 3.651 30 20 CHED C=CCN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1O 490910134 MZCSXCNVKWASSS-UHFFFAOYSA-N 275.392 3.897 30 20 CHED COc1ccccc1CSCCOc1ccccc1C#N 498132305 OSKGHTLLSHAWLU-UHFFFAOYSA-N 299.395 3.879 30 20 CHED Cc1ccc(CCC(=O)N[C@@](C)(C#N)C(C)(C)C)c(C)c1 499471628 BEUNZTUKQZRUHU-SFHVURJKSA-N 286.419 3.681 30 20 CHED CCCC[C@@H](C)C(=O)Nc1nc(C)c(SCC#N)s1 503485386 HALCVFBXWBLKHG-SECBINFHSA-N 297.449 3.832 30 20 CHED C=C(C)CN(CC)C(=O)CCCOc1ccccc1C 503857607 NWXCWKCWCZCXSA-UHFFFAOYSA-N 275.392 3.579 30 20 CHED C=C(C)CCc1noc(C2(c3ccccc3OC)CC2)n1 508595956 PWKAPVYSECADEW-UHFFFAOYSA-N 284.359 3.667 30 20 CHED C=C(C)[C@@H](NCC[C@@H](C)F)c1ccc(F)c(F)c1 509135648 HSSFVZTZZGKHTB-QMTHXVAHSA-N 257.299 3.920 30 20 CHED C=CCCCCNc1ccc(C(=O)NC(C)C)cc1 516718747 KVOMUHZLIPMBRL-UHFFFAOYSA-N 260.381 3.593 30 20 CHED C=CC1CCN(C(=O)[C@@H](CCC)c2ccccc2)CC1 517657012 GJKVHUOPHBGRFA-KRWDZBQOSA-N 271.404 3.995 30 20 CHED C=CCn1nnnc1S[C@@H](C)c1cccc2ccccc12 517731487 CGWVNRVNJFIWTE-LBPRGKRZSA-N 296.399 3.866 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(Br)c(C)c1 522659290 MQMXHEQJRIKERU-SNVBAGLBSA-N 297.196 3.844 30 20 CHED C=CCN(CC=C)C(=O)CSc1cccc(Cl)c1 523582572 RVERGGZOJKVYEF-UHFFFAOYSA-N 281.808 3.633 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cnc3ccsc3c2)n1 524760506 LENBWZWJORAIBU-JTQLQIEISA-N 299.380 3.551 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)cc1 524811671 GAJXYLHZDFPTCB-YOEHRIQHSA-N 256.393 3.959 30 20 CHED Cc1[nH]c2ccc(F)cc2c1CCN[C@@H]1CCC[C@H](C#N)C1 527997043 SVVLMFOTEPGFQY-DZGCQCFKSA-N 299.393 3.830 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cc2c(s1)CCCC2 528041981 ZEGUKKOUCPYJEE-UHFFFAOYSA-N 290.432 3.573 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 538528735 YDZBQOXHJABDIM-SPUZQDLCSA-N 296.414 3.721 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccccc1C)C(C)C 539262437 IEINWAMJPUPEFF-DOTOQJQBSA-N 261.409 3.609 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC[C@@H](OCC)C1CCCC1 541239839 PRIBYONVVGZOGB-HZPDHXFCSA-N 296.455 3.626 30 20 CHED N#Cc1ccn(CCOc2ccc(Cl)cc2Cl)c1 542944640 CKUSIOQRBUHDLM-UHFFFAOYSA-N 281.142 3.746 30 20 CHED CCOc1cc(F)ccc1NCc1cccc(C#N)c1F 544096736 KEKPOFTZBPNQLU-UHFFFAOYSA-N 288.297 3.847 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)c1c(C)cccc1C)OCC 545454956 BBCLETSERDWSNG-HOTGVXAUSA-N 289.419 3.852 30 20 CHED C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CC[C@H]1C 548616403 KNNVJSWTXKKBPV-UHIISALHSA-N 290.794 3.766 30 20 CHED CC(C)(CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CC1 550412636 MQLNTKNHNLDGAK-AWEZNQCLSA-N 290.794 3.847 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc3[nH]ccc3c2)no1 550965735 HNKXIGYTNNRCDU-UHFFFAOYSA-N 275.258 3.886 30 20 CHED C=CCCCCCN(C)C(=O)c1c[nH]nc1C(C)(C)C 550994710 VPLIONDYQQZPTH-UHFFFAOYSA-N 277.412 3.526 30 20 CHED C=CCN(C)[C@H](C)Cc1ccccc1C(F)(F)F 553921000 VTELZTJVBPXFSC-LLVKDONJSA-N 257.299 3.754 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)C(C)(F)F 559755486 IDDNCLKBAZCDEY-LBPRGKRZSA-N 273.367 3.873 30 20 CHED Cc1nc2c(OCc3ccc(CC#N)cc3)cccc2o1 559950671 VCQNZSWVXJASAZ-UHFFFAOYSA-N 278.311 3.781 30 20 CHED C[C@H](NC(=O)NCC1(C#N)CCC1)c1cccc(C2CC2)c1 563640712 QJOXRFLPLIEFRX-ZDUSSCGKSA-N 297.402 3.618 30 20 CHED CC(C)(CC#N)CSc1ccc(Br)cn1 565241699 WWMBREJZIPVKSI-UHFFFAOYSA-N 285.210 3.876 30 20 CHED CC[C@@H](C#N)S[C@@H]1CCCN(Cc2ccccc2)C1 565891899 HSIZRVTYCDTSFW-JKSUJKDBSA-N 274.433 3.686 30 20 CHED C=C(C)CCc1noc(Cc2coc3ccccc23)n1 571087435 UUOBXANSWBUIMJ-UHFFFAOYSA-N 268.316 3.915 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2cc(C#N)ccn2)c1 576201234 TVFSNWWYVZIVGQ-CQSZACIVSA-N 265.360 3.613 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1C1CCC1 579359527 OFKHUEWWGQNKJS-LSDHHAIUSA-N 275.417 3.699 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(Cl)c1Cl 580694029 JIBMJSPFHNKKKH-UHFFFAOYSA-N 271.147 3.872 30 20 CHED CC(C)[C@H]1N(C(=O)Cc2cccc(C#N)c2)CC12CCCC2 582225593 FINGMXYSHZEZEV-GOSISDBHSA-N 296.414 3.528 30 20 CHED CC(C)n1cc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cn1 582994181 OGSAFEWLMKSDRZ-ACJLOTCBSA-N 294.402 3.674 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC(C)(C)C#N 583856890 KKTFDTLMQXFRRC-KGLIPLIRSA-N 279.428 3.536 30 20 CHED N#CC1(CNc2ccnc3cc(C(F)(F)F)ccc23)CC1 584445430 LBNRRDDAFPOCHW-UHFFFAOYSA-N 291.276 3.969 30 20 CHED COc1cc(N=Cc2cc3ccccc3nc2O)ccc1F 588534383 JUBTZJIBNVISOO-UHFFFAOYSA-N 296.301 3.839 30 20 CHED N#Cc1ccccc1C(=O)/C=C\C1=Cc2ccccc2OC1 588618228 IQNSVNKGBDDWQD-KTKRTIGZSA-N 287.318 3.773 30 20 CHED C=C(C)COc1cccc(NC(=O)NC[C@H](C)C2CC2)c1 589739594 XAHJRQPDWUFRLX-ZDUSSCGKSA-N 288.391 3.809 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)CCCCCC#N 591103770 IFOYTDUDSUEDFY-ZIAGYGMSSA-N 264.413 3.791 30 20 CHED CC[C@H](C#N)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F 593537414 COZRJEWGDKNZIJ-ABAIWWIYSA-N 292.329 3.568 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1-c1csc(C)n1 593671938 REMHEUIIADINSX-NSHDSACASA-N 285.372 3.607 30 20 CHED C[C@H]1CC[C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C[C@H]1C 594005403 JOHLGUXCKBPQCY-LUXYFRNMSA-N 298.430 3.678 30 20 CHED CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C1CCCC1 595095934 TXOWTSNQKIDSBT-YVEFUNNKSA-N 290.382 3.553 30 20 CHED CCN(CC1CC=CC1)[C@H](C)c1ccc(C#N)cc1 595295584 MGFPSMANTZXFKQ-CQSZACIVSA-N 254.377 3.907 30 20 CHED CC(C)c1cccc(C(=O)N2CCC[C@@H](CC#N)C2)c1 597900150 JRCZOYNUWPHHKM-AWEZNQCLSA-N 270.376 3.576 30 20 CHED CCN(C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1ccc(F)cc1 598586660 KJIOIQXMQNRHEW-XJKSGUPXSA-N 292.398 3.509 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CCCCC2(C)C)n1 598859618 WMSSHUOAUHUOCO-AWEZNQCLSA-N 285.391 3.725 30 20 CHED C=CCC1(NCCCSCCOC)CCCCC1 599610750 TUHPRBSOPSAQCG-UHFFFAOYSA-N 271.470 3.625 30 20 CHED C[C@@H](CN(C)C(=O)C1(C#N)CCCC1)C1CCCCC1 600475608 AAHOQIOKZHWVBQ-AWEZNQCLSA-N 276.424 3.745 30 20 CHED CC[C@@H](NC(=O)N(C)C[C@@H](C)C#N)c1cc(C)ccc1C 602377829 WJWITEFJNSPYCF-XJKSGUPXSA-N 287.407 3.556 30 20 CHED C[C@H](CCC#N)CN1CCC(c2ccsc2)CC1 602622479 IUTIHQLCCIADLJ-CYBMUJFWSA-N 262.422 3.867 30 20 CHED COc1cc(CSc2nnc(C)c(C)c2C#N)ccc1C 603315329 RFRKQHQNFCFWCQ-UHFFFAOYSA-N 299.399 3.574 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 604898230 LKLUCOJBRVCRSB-LRDDRELGSA-N 290.382 3.931 30 20 CHED C=CCCCSc1ncnc2c1cnn2-c1ccccc1 605075844 QZTGIPFGWFBGQT-UHFFFAOYSA-N 296.399 3.874 30 20 CHED CN(CCOc1ccccc1)c1cccc(Cl)c1C#N 610291132 FSRIJUPIADDWGG-UHFFFAOYSA-N 286.762 3.727 30 20 CHED Cc1cc(CS[C@@H](C)c2ccc(C#N)cc2)nn1C 610857190 ODPGATXOOUUENV-LBPRGKRZSA-N 271.389 3.595 30 20 CHED C=CCCC[C@H](C)NC(=O)c1oc(SC)cc1C 613274411 CYUKMSKGQWMCKQ-NSHDSACASA-N 267.394 3.785 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CSc3ccccc32)C1 617784450 SGOIOXZOKNOPCB-ZFWWWQNUSA-N 287.428 3.691 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(Cc2ccsc2)C1 621497740 RSZBVILREPEPPW-CYBMUJFWSA-N 292.448 3.677 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCOc2ccccc2[C@H]1C 622988019 TXPLSSDWHQXAPO-CXAGYDPISA-N 273.376 3.571 30 20 CHED C=CCCCCCN1CCc2c(F)ccc(C(=O)O)c2C1 629368264 UCKKXCHESBSVFJ-UHFFFAOYSA-N 291.366 3.628 30 20 CHED C=CCCNC(=O)Nc1cnn(-c2ccccc2)c1CCC 666638520 GITIJVAZHAKPFJ-UHFFFAOYSA-N 298.390 3.522 30 20 CHED C=C(CN[C@H]1CCc2ccc(OC)cc21)c1ccccc1 675783649 OMOAIDOMVUZTOH-IBGZPJMESA-N 279.383 3.986 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(CC2CC2)CC1 678774995 WKYDRADQKMSPOO-OAHLLOKOSA-N 264.457 3.585 30 20 CHED CCC#C[C@@H](C)N(CC)Cc1c[nH]c2ccccc12 682372757 QTCHPYKNLJGBPL-CQSZACIVSA-N 254.377 3.792 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)c(Cl)cc1F 684942738 WYYNFKAOEGERFY-UHFFFAOYSA-N 292.137 3.664 30 20 CHED CC/C=C(/C)C(=O)Nc1ccc(C#N)c(Br)c1 701266847 VVKXGXGESFVNJV-WTKPLQERSA-N 293.164 3.616 30 20 CHED COc1cccc(NN=C(C)c2ccc(OC)c(F)c2)c1 725854943 GXWZKNZVVGMSHG-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C#Cc1cccc(NC(=S)NCCC2CCCCC2)c1 726458138 XZRLAMSLGPTFPW-UHFFFAOYSA-N 286.444 3.925 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccc(OCC)c2)c1 726474129 TWYKZQSOSPFRTI-UHFFFAOYSA-N 296.395 3.876 30 20 CHED C=CCCC(=O)OCc1cc(Cl)c2c(c1)OCCCO2 726498914 UJBRWUHOVLIJTB-UHFFFAOYSA-N 296.750 3.511 30 20 CHED C=CCNC(=S)NCc1cccc(-c2cccc(C)c2)c1 726751018 ZMLPGBRETZLTCF-UHFFFAOYSA-N 296.439 3.812 30 20 CHED CCC[C@H](Cc1ccccc1)/N=C/c1ccc(O)c(O)c1O 727781720 VWXNKISAJOVOKM-IYSPOMMRSA-N 299.370 3.634 30 20 CHED Cc1ncccc1C=NNc1ccccc1Br 728779201 KFHGPPQMDKRZLH-UHFFFAOYSA-N 290.164 3.599 30 20 CHED Fc1ccc(NN=Cc2ccnc3ccccc23)cc1 731314375 CKGMNWBQPYJRQF-UHFFFAOYSA-N 265.291 3.820 30 20 CHED COc1ccc(OC(F)F)c(C=NNc2ccccc2)c1 732924146 OSAGTHIATZADKJ-UHFFFAOYSA-N 292.285 3.743 30 20 CHED CCC(Cc1cccs1)=NNc1nccnc1Cl 733077186 LEICLGHBYOQLOG-UHFFFAOYSA-N 280.784 3.612 30 20 CHED C=CCCCOC(=O)[C@@H](C)Cc1ccc(F)cc1 735533810 ZJRMYKVNLCSFQB-LBPRGKRZSA-N 250.313 3.514 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)C1(C#N)CCCCC1 736031730 CKBURZCRJOHKTM-HZSPNIEDSA-N 263.381 3.828 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CC)c1ccc(Cl)s1 736403516 VXGXCXZCQBTHFA-QMMMGPOBSA-N 293.219 3.904 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1cccc(C#N)c1)CO2 737442951 DFNMCOREYNSAGK-CXUHLZMHSA-N 289.334 3.834 30 20 CHED C=CCCCCCN(C)C[C@H](O)c1ccc(F)c(F)c1 739931147 QUWYZPDCOSVZSK-INIZCTEOSA-N 283.362 3.676 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)c1ccc(C)o1)c1ccncc1 742675921 DZVWPZPWMKRBLY-UKRRQHHQSA-N 284.359 3.520 30 20 CHED Clc1ccc(NN=Cc2ccc(Cl)s2)cn1 743450647 VIZKEJFKYDJTPU-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CO[C@H](C/N=C\c1c(O)ccc2ccccc12)C(C)C 745976853 OECPDPSRNOVERZ-RMFUMNGISA-N 271.360 3.635 30 20 CHED CC(=NNc1cccc(Br)c1)c1cccnc1 745987759 LHJDDLOCWGSYJM-UHFFFAOYSA-N 290.164 3.680 30 20 CHED CCCCCCCCCN(C)Cc1cnc(C)cn1 749440997 NLINFRSANGAOBE-UHFFFAOYSA-N 263.429 3.967 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCCC2(C)C)o1 749855397 MCJFZWWSRJNSSC-UHFFFAOYSA-N 260.341 3.648 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(C(=O)O)cc1 750939129 VHSSNOPMNGNEAZ-UHFFFAOYSA-N 286.306 3.668 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 751101064 BMTCGTRJDOJSLT-LKFCYVNXSA-N 296.773 3.501 30 20 CHED CCc1ccc(CCOC(=O)c2cc(C#N)cs2)cc1 752187367 YOOOZWVBNNMYJE-UHFFFAOYSA-N 285.368 3.582 30 20 CHED CCCCCCCCNC(=O)[C@@H](C)c1ccco1 754855867 ZAANUGITMHQNGH-ZDUSSCGKSA-N 251.370 3.860 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H](COCC)C1 754866906 YEQGSMQZHFZJFJ-MRXNPFEDSA-N 298.471 3.805 30 20 CHED COc1ccc(NN=Cc2coc(-c3ccccc3)n2)cc1 755802205 QVHDQENPEJEZNJ-UHFFFAOYSA-N 293.326 3.796 30 20 CHED CCCOc1cc(C=NNc2cc(C)ccn2)ccc1OC 755907462 ZZGMCLBVHSDJRR-UHFFFAOYSA-N 299.374 3.633 30 20 CHED Fc1ccc(C=NNCc2cccc(Cl)c2)cc1 756830808 CNWKXVSPJNXBGH-UHFFFAOYSA-N 262.715 3.603 30 20 CHED C#CC[C@H](Nc1ncccc1Cl)c1ccccc1 756954406 YTLQDSJHUQFKPZ-AWEZNQCLSA-N 256.736 3.912 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F 757005012 WDXHHGASKSAQBT-LLVKDONJSA-N 287.309 3.936 30 20 CHED Cc1ccc(F)c(NN=Cc2cn[nH]c2-c2ccc(C)o2)c1 759664700 LTSBOWWVARSRCU-UHFFFAOYSA-N 298.321 3.872 30 20 CHED O=C1/C(=C\c2cnc(C3CCC3)s2)Oc2cc(O)ccc21 760261382 ATFYFMNSIHTRPM-VGOFMYFVSA-N 299.351 3.732 30 20 CHED CC#CCCOC(=O)C[C@@H](CC)c1ccc(OC)cc1 760295751 PESOVUJEXCTJHY-CQSZACIVSA-N 274.360 3.536 30 20 CHED C=CCCC(=O)COC(=O)/C(C)=C\c1ccccc1Cl 761432309 YIENUGWSXLJOGI-BENRWUELSA-N 292.762 3.822 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(F)c(Cl)c2Cl)cn1 761475993 HIVHFCQQXPXPQC-HWKANZROSA-N 299.132 3.762 30 20 CHED C#CCCc1noc(-c2csc(-c3ccc(F)cc3)n2)n1 762014931 VXVWMYSWHQMEKK-UHFFFAOYSA-N 299.330 3.565 30 20 CHED CCC(=NNc1ccccn1)c1ccc2c(c1)CCCO2 765558314 XWIQCOPDICZYQS-UHFFFAOYSA-N 281.359 3.633 30 20 CHED C#CCCCNc1ccccc1NC(=O)c1ccccc1 766723971 IIXDPZKMCDQEAX-UHFFFAOYSA-N 278.355 3.764 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 767229246 GDQGOJQHGOARKC-ZDUSSCGKSA-N 297.329 3.712 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 767257947 NHJHBPINNBQROA-ZMLRMANQSA-N 296.197 3.577 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccccc1C(F)(F)F 767665355 MQPBSBHQCCIXSH-UHFFFAOYSA-N 284.277 3.798 30 20 CHED N#Cc1ccc(C(=O)Oc2c(F)cccc2Cl)s1 769296765 PTABQPYXKGPRKF-UHFFFAOYSA-N 281.695 3.631 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@@H]1CCC[C@@H]1C 769314183 MDSLETWGFFPRAP-WFASDCNBSA-N 271.360 3.736 30 20 CHED C[C@@H](CCC1CC1)Nc1ccc(F)cc1OCC#N 769548173 SIBYABHYDFMIPQ-NSHDSACASA-N 262.328 3.719 30 20 CHED CCC[C@@H](C=NNc1ccc(C)nn1)c1ccccc1 769586662 RNSJMQPYAIZZDS-HNNXBMFYSA-N 268.364 3.767 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCO[C@H](C)C1 770231201 XWYBAYNSXCWCAP-CABCVRRESA-N 269.429 3.811 30 20 CHED C[C@@H]1CCC[C@@H](CNc2ccc(F)cc2OCC#N)C1 770595980 IPNATCLPZNBEIW-CHWSQXEVSA-N 276.355 3.966 30 20 CHED C=C(CC)COC(=O)c1cc2sc(N(C)C)nc2s1 773503487 CKMKRMOBTKFKSQ-UHFFFAOYSA-N 296.417 3.547 30 20 CHED C=C(CC)COC(=O)[C@@H]1CCCc2sccc21 773533729 BTNWJIJMGJNRAF-GFCCVEGCSA-N 250.363 3.677 30 20 CHED CCC(CC)CNN=Cc1cc(O)ccc1Br 774475030 OXALSHMKRTWZSZ-UHFFFAOYSA-N 299.212 3.514 30 20 CHED CCc1ccc(C=NOCc2ncc(Cl)s2)cc1 774724744 XMVGRTGWIZAVLM-UHFFFAOYSA-N 280.780 3.910 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2c(C)cccc2C1 775778528 UAWWFMMAFJGELD-HNNXBMFYSA-N 286.419 3.808 30 20 CHED C#CCOc1ccccc1NC(=O)CCC1CCCCC1 775939832 JIBNWZMPJADEEW-UHFFFAOYSA-N 285.387 3.998 30 20 CHED N#C[C@@H](OC(=O)c1ccc2cc[nH]c2c1)C1CCCCC1 776374916 XFMGOXFBAGETQZ-MRXNPFEDSA-N 282.343 3.797 30 20 CHED N#C[C@@H](OC(=O)c1ccc(N)cc1Cl)C1CCCCC1 776381452 USDVXPOACYYZOV-CQSZACIVSA-N 292.766 3.551 30 20 CHED Cc1ccc(OCc2ccc(CC#N)cc2)c(Cl)n1 777542272 PZTHKRTUQUCYMR-UHFFFAOYSA-N 272.735 3.689 30 20 CHED Cc1ccc(Oc2ccc(Cl)c(C#N)n2)c(Cl)n1 777788305 UHSPCSNRRODMED-UHFFFAOYSA-N 280.114 3.756 30 20 CHED O=C(/C=C\c1cccc(Br)n1)c1ccccc1 777912172 SITQIAFSJANWSK-KTKRTIGZSA-N 288.144 3.740 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H]1CCC[C@@H](C)[C@H]1C 779272972 FFGHLSBYWMIICK-MGPQQGTHSA-N 289.375 3.628 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1ccc(F)cc1 779817272 DOZWVDAQKPQDHC-UHFFFAOYSA-N 268.295 3.538 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NNc1ccnc(F)c1 782228227 WMZYLYXZQMRKKK-UHFFFAOYSA-N 286.285 3.596 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1ncccc1Cl 783833525 RQGNQENOHPZXCL-ZJUUUORDSA-N 251.761 3.959 30 20 CHED Cc1cc(F)ccc1CNc1ccc(F)cc1OCC#N 783883957 OBQIFXOULMZMFC-UHFFFAOYSA-N 288.297 3.788 30 20 CHED C=CCCCCCOC(=O)c1ccc(OC)c(Cl)n1 784743283 VFWJJHLULUIPNP-UHFFFAOYSA-N 283.755 3.647 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(F)c(Cl)cc1F 785603604 WACBEGMNOPOGMJ-UHFFFAOYSA-N 287.693 3.715 30 20 CHED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3C)n2)cc1 786449819 VZMRXJVLDNHMEX-MRVWCRGKSA-N 296.395 3.951 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 787084290 MCZDMRGCICMGEF-ZDUSSCGKSA-N 296.370 3.896 30 20 CHED CC(=NNc1ccc(F)cc1)c1cnn(C(C)(C)C)c1C 787147921 OGYLCNDFPXBAMO-UHFFFAOYSA-N 288.370 3.922 30 20 CHED CCCC(=NOC[C@@H]1CCOC1)c1ccc(Cl)cc1 788034719 UQQNDOIHWPLVMR-GFCCVEGCSA-N 281.783 3.897 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2ccc(C#N)cc2Cl)cn1 788359239 AOISRFJIUMOEIG-XQRVVYSFSA-N 299.761 3.885 30 20 CHED C[C@@H](NN=Cc1cc2ccccc2[nH]1)c1ccccc1 788426360 OPYOVNZOFKISCW-CYBMUJFWSA-N 263.344 3.853 30 20 CHED CC(=NNc1ncccc1C)c1csc(Cl)c1 790187666 ZBJAIEDKBJHGQS-UHFFFAOYSA-N 265.769 3.941 30 20 CHED CCCC(=CC(=O)N(C1CC1)C1(C#N)CCC1)CCC 791002096 CGQFMANJVGZBPT-UHFFFAOYSA-N 274.408 3.950 30 20 CHED CCC(C)(C)CC(=O)[C@H](C#N)c1cnc2ccccc2n1 792109042 RVVAEQOIRZHSKB-GFCCVEGCSA-N 281.359 3.632 30 20 CHED CC(CN1Cc2ccccc2C1)=NNc1ccccc1F 792630490 IMDMGLXWEALIOR-UHFFFAOYSA-N 283.350 3.629 30 20 CHED CC(=NNc1cccc(Cl)n1)C1CCSCC1 793160810 FCIRDMPIIAVTOV-UHFFFAOYSA-N 269.801 3.666 30 20 CHED CCNc1ccc(Cl)cc1C(=O)O[C@H](C)C(C)(C)C#N 793177775 KGODFRASTUEIHH-SNVBAGLBSA-N 294.782 3.867 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)c1cn(C)nc1C 793530338 ZZXSFDPCJKCFMC-KGLIPLIRSA-N 263.429 3.904 30 20 CHED Cn1cc(C=NNc2ccccc2)c2cc(F)ccc21 794845401 OOXOKQQKIGUBQO-UHFFFAOYSA-N 267.307 3.763 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC[C@@H]2c2ccccn2)c1 794858563 NMXWHOUIURNFFX-CQSZACIVSA-N 296.330 3.725 30 20 CHED Cc1cc2ccccc2nc1NN=C1CSC[C@H]1C 794923389 ZLWUMXWEYMTWJZ-LLVKDONJSA-N 271.389 3.694 30 20 CHED COc1cccc(/C=N/[C@H]2C[C@H](c3ccccc3F)C2)c1O 797785181 VWILKKUFUQETCX-JAQFETIKSA-N 299.345 3.905 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(Cl)c(F)c2)no1 798229608 AXVOKVURDGIKLN-HWKANZROSA-N 265.671 3.672 30 20 CHED Cc1ccc(-c2ccnn2C)cc1N=Cc1ccccc1O 798343991 WGYVCSRYPLKPLG-UHFFFAOYSA-N 291.354 3.852 30 20 CHED C#C[C@@H](NC(=O)N(Cc1ccccc1)CC(C)C)C(C)C 798551457 BBIHPMORHSUUTE-QGZVFWFLSA-N 286.419 3.512 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NNCC(C)C)C1 799111400 IKMBZFFPQCXGDO-CQSZACIVSA-N 259.397 3.649 30 20 CHED CCN(C)c1ccc(/C=C\C(=O)c2cc(C)c(C)o2)cn1 799897796 SDXGHLRVBJKQBM-VURMDHGXSA-N 284.359 3.644 30 20 CHED C[C@H](C#N)OCCNc1cccc(-c2cccs2)c1 802742374 KXYBFBXPHWNTCY-GFCCVEGCSA-N 272.373 3.756 30 20 CHED N#CCCCCCC(=O)O[C@H]1COc2cc(Cl)ccc21 805931255 GRQQXJOKIYMVRK-AWEZNQCLSA-N 293.750 3.791 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2coc3ccccc23)nn1 806573153 GAWBYFIOBIOBEY-FPLPWBNLSA-N 281.315 3.501 30 20 CHED C#Cc1cccc(NCc2cc3c(cc2Cl)OCCO3)c1 809187949 WQHYGVRZHMXCHM-UHFFFAOYSA-N 299.757 3.705 30 20 CHED C#C[C@@H](NC1CCCC1)c1ccc(Cl)cc1F 809699406 OAMIRLXYVACVPF-CQSZACIVSA-N 251.732 3.686 30 20 CHED C=CCCCCCCCNC(=O)Nc1ccnn1CC 809888265 VXDIIYTWAACGNP-UHFFFAOYSA-N 278.400 3.551 30 20 CHED C#Cc1ccccc1CC(=O)Nc1nc(C2CCC2)cs1 811460374 HVDYTBWUOQLASD-UHFFFAOYSA-N 296.395 3.573 30 20 CHED Cc1ccc2c(c1)SCCCN2Cc1ccc(C#N)o1 811508898 JQCHAKWYUSPESD-UHFFFAOYSA-N 284.384 3.962 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NOC/C=C\Cl 811669608 RBQJPYMQBJCHJB-JDHIIMCOSA-N 282.727 3.672 30 20 CHED C=CCCCCCCCNC(=O)NC[C@@H]1CCO[C@H](C)C1 811899697 FOKSJTRQOQYJGZ-HZPDHXFCSA-N 296.455 3.627 30 20 CHED COc1ccc(F)cc1C=NNc1cc(F)cc(F)c1 812227174 SZCPEUZEFGZTGQ-UHFFFAOYSA-N 280.249 3.559 30 20 CHED N#CCCCC(=O)OCc1cc2ccccc2nc1Cl 812618179 GRLSGEKXECIFIE-UHFFFAOYSA-N 288.734 3.625 30 20 CHED COCc1ccccc1/C=C(\C)C=NNc1ncccc1F 814229731 RZZBQIKUEVFAFK-MQFSGWNHSA-N 299.349 3.868 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 814324591 OHQBPBMMUYYIKB-QZTJIDSGSA-N 298.430 3.550 30 20 CHED Cc1cc2c(cc1C)C(=NNc1ccccc1)CO2 814684113 DWMMDYKASBVZBP-UHFFFAOYSA-N 252.317 3.512 30 20 CHED c1ccc2c(NN=C3CC[C@@H]3C3CCC3)nncc2c1 814705916 QDYJZZRBHUENJR-CYBMUJFWSA-N 266.348 3.608 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C1CC[C@@H]1C1CCC1 814823631 PBPMEPHFIYULLI-GFCCVEGCSA-N 289.335 3.581 30 20 CHED Fc1ccc2ccc(C=NOC3CCCC3)nc2c1F 814894429 MKMXPHLXIVVSQR-UHFFFAOYSA-N 276.286 3.806 30 20 CHED CC(Cn1cccn1)=NNc1c(C)cccc1C(C)C 814935006 KFQCZMYDXHZTOI-UHFFFAOYSA-N 270.380 3.803 30 20 CHED CCCCCCCCCN1CCC2(CC1)OCCCO2 815156043 SASHHLRSXYYRKV-UHFFFAOYSA-N 283.456 3.966 30 20 CHED C[C@@H](NCc1c(F)cc(F)cc1F)c1ccc(C#N)cc1 815649980 DNXCUISVXKBTNX-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1c(F)cccc1F 820675128 BSXZJCDIPUFTEO-NSHDSACASA-N 267.319 3.526 30 20 CHED O=C(/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1F 821008032 MYGDMPJSYIBSMZ-RMKNXTFCSA-N 271.247 3.630 30 20 CHED O=C(/C=C\c1ccsc1)c1ccc([N+](=O)[O-])cc1F 821009278 YRWOYUDJWJCPPF-RJRFIUFISA-N 277.276 3.692 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1cscn1 823063858 WAZPSNCCTSYHLV-CYBMUJFWSA-N 282.453 3.798 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(OC)c(CO)c1 823539061 WHYMQCLJTHUCIY-CYBMUJFWSA-N 263.381 3.734 30 20 CHED Cc1ccccc1CN(C(=O)C#Cc1cccs1)C1CC1 824660788 IKHDMBOAONAGCX-UHFFFAOYSA-N 295.407 3.599 30 20 CHED CC(C)C[C@@H](C)OC(=O)Oc1cccc(F)c1C#N 830951463 TVNZNYGLTDGNBN-SNVBAGLBSA-N 265.284 3.647 30 20 CHED CCc1nocc1/C=C1\C(=O)c2cccc(C)c2[C@@H]1C 834434209 DAAXCFYRLFGOBS-ZEVOCZHWSA-N 267.328 3.929 30 20 CHED CC(=NNc1nc(O)c2ccccc2n1)[C@H]1CCCC[C@H]1C 834962051 UESWDIHIUKPXJM-YPMHNXCESA-N 298.390 3.950 30 20 CHED C#CCN(C(=O)Nc1c(C)cc(C)cc1Cl)C1CC1 836211597 JZOUOCDCIVJDRT-UHFFFAOYSA-N 276.767 3.586 30 20 CHED Cc1ccc(C2=CCN(C(=O)C#CC(C)(C)C)CC2)cc1 837319712 KJSKNOOYOVTEON-UHFFFAOYSA-N 281.399 3.660 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)C1CCC1)c1ccc(Cl)cc1 837663679 XSZTZWSHIBGOPI-IAQYHMDHSA-N 275.779 3.567 30 20 CHED Cc1csc(C(=O)OCCCC(C)(C)C#N)c1 837762274 BSLRHQHARUIFEV-UHFFFAOYSA-N 251.351 3.543 30 20 CHED C/C(=C\C(=O)NCC(C)(C)CC#N)c1ccccc1Cl 837888481 HWGMBZUYEIZALK-ZRDIBKRKSA-N 290.794 3.799 30 20 CHED C=CCONC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 838704434 VRYKLEYBJFVHIA-ZDUSSCGKSA-N 280.368 3.578 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(OC3CCC3)cc2)C1 839052552 IVHBRHGQQJIQPE-SUMWQHHRSA-N 299.370 3.857 30 20 CHED CCC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@H]1C[C@H]1C 841605379 ZXXNMGIGPIRQQS-SCZZXKLOSA-N 280.755 3.872 30 20 CHED C#C[C@H](OC(=O)[C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1 842408112 RTASLRHMTYNOEO-OCCSQVGLSA-N 296.288 3.869 30 20 CHED CCCCCCCCOCc1nc(C2(N)CCCC2)no1 842588462 ZHDJCVUKRZKIPI-UHFFFAOYSA-N 295.427 3.675 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C/C1CCCC1 843788728 NKBXCZAMLIKTLL-CMDGGOBGSA-N 262.397 3.521 30 20 CHED C=C(C)CONC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 845593067 VMMFXFOCWRDDDS-AWEZNQCLSA-N 294.370 3.720 30 20 CHED CCCCC[C@H](C(=O)N(C)[C@H](C#N)CC)C(C)C 847168366 MKWGLESSVPIYNO-KBPBESRZSA-N 252.402 3.599 30 20 CHED CCC1CCC(=NNc2ccc(CC(=O)O)cc2)CC1 848415787 PZFVXLVZBZBSBV-UHFFFAOYSA-N 274.364 3.682 30 20 CHED CCCCCCCCNC(=N)NCc1ccc(OC)cc1 849057015 NLNFNRMPVPACEI-UHFFFAOYSA-N 291.439 3.670 30 20 CHED Cc1noc(C)c1[C@H](C)CC(=O)O[C@H](C)CC(C)(C)C#N 851207993 LSTZWKSTMSUVSZ-GHMZBOCLSA-N 292.379 3.657 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@@H]1CCc2ccccc21 851208666 AILNBIBTDFJUCP-HIFRSBDPSA-N 285.387 3.978 30 20 CHED Cc1ccc(NN=Cc2nccn2C(C)C)c(Cl)c1 853355021 DILBQOLTEKBFQE-UHFFFAOYSA-N 276.771 3.872 30 20 CHED C#CC1CCC(=NNc2cc(Cl)nc(Cl)c2)CC1 853359627 QZYTVUABCMDBKF-UHFFFAOYSA-N 282.174 3.980 30 20 CHED OC1(CCON=Cc2cccc(Cl)c2Cl)CCC1 853642035 CZFCZPDYEQMLFG-UHFFFAOYSA-N 288.174 3.649 30 20 CHED Clc1ccc(-c2nc(CON=CC3CC3)co2)cc1 853735151 OAELEZDZQYOVEJ-UHFFFAOYSA-N 276.723 3.907 30 20 CHED C=CCCNC(=O)CCc1ccc(C(C)(C)C)cc1 855380527 AOLBVYSXCIVWTD-UHFFFAOYSA-N 259.393 3.609 30 20 CHED C=CCN(C(=O)c1nc(Cl)sc1C)C(C)(C)C 857651257 WOFOFIXGJVLGGZ-UHFFFAOYSA-N 272.801 3.532 30 20 CHED CCCCCCCC(=O)OCC(=O)c1ccc(F)cc1 864350723 LQMPXCGUTINDPK-UHFFFAOYSA-N 280.339 3.912 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)c(F)c(F)c1F 871270244 SDPDSHWAMOYHSH-UHFFFAOYSA-N 275.245 3.784 30 20 CHED F[C@@H]1CCCC1=NNc1ncnc2c1oc1ccccc12 872338129 VDGZFMSXXHBQIC-SNVBAGLBSA-N 284.294 3.666 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1c(C)cccc1OC(F)F 878591150 KFJLDAUCTZFFPQ-HNNXBMFYSA-N 296.317 3.520 30 20 CHED C=CC(C)(C)CC(=O)NCCc1ccc(Cl)c(OC)c1 880140600 KUOGKJGDRDQPKS-UHFFFAOYSA-N 295.810 3.610 30 20 CHED COc1cccc(N[C@@H](C#N)C2CCCCC2)c1OC 887315207 OBQYMNKTZJPJAK-AWEZNQCLSA-N 274.364 3.588 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H](C(F)(F)F)C1)c1ccccc1 888017120 GXWRHNLLPWOHSE-KBPBESRZSA-N 297.320 3.757 30 20 CHED C=C1CCC(C(=O)Nc2cccc3cc[nH]c23)CC1 890023565 GDBTZMDNAKBOCY-UHFFFAOYSA-N 254.333 3.853 30 20 CHED N#Cc1ccc(C(=O)NCCC2CCC(F)(F)CC2)cc1 890064542 ATENYYGKUFHYDD-UHFFFAOYSA-N 292.329 3.504 30 20 CHED C#Cc1cccc(NCc2c(C)nn(C(C)C)c2C)c1 893625400 QDYHLEACRAPMCW-UHFFFAOYSA-N 267.376 3.674 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2Cl)CCC1(F)F 893904304 DKOKCLAHJHTIHL-SECBINFHSA-N 270.710 3.693 30 20 CHED C=CCC1(O)CCN([C@@H](C)CCc2cccc(F)c2)CC1 895835977 SPUOACDNCXPCLP-HNNXBMFYSA-N 291.410 3.550 30 20 CHED O=C([C@@H]1C[C@H]1C1CCC1)N(O)Cc1cccc2ccccc12 901371753 YEXFPBMUYBCNDT-ZWKOTPCHSA-N 295.382 3.994 30 20 CHED CC(C)Oc1cccc(/C=C2/C(=O)c3nccn3[C@@H]2C)c1 901561304 RIZCNIBDFAKSBF-JXCQQFQQSA-N 282.343 3.511 30 20 CHED CC[C@H](N[C@H](C)C(F)(F)F)c1cccc(C#N)c1 902995231 XFOLVTALVKMLPX-SKDRFNHKSA-N 256.271 3.550 30 20 CHED Cc1ccc([C@H](NCC2(C#N)CC2)C2CCC2)cc1 903105518 DDSQQLIAVNSXPZ-MRXNPFEDSA-N 254.377 3.730 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@](C)(C#N)C(C)(C)C 904179210 DRARUZKAWBFALN-KRWDZBQOSA-N 290.407 3.944 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c2ncccc12 904181474 OYSNZEFJMYLJLH-SFHVURJKSA-N 295.386 3.601 30 20 CHED N#CC1(CCCCOC(=O)c2cc3occc3[nH]2)CCC1 909256819 QFRCPIXBSBELJN-UHFFFAOYSA-N 286.331 3.782 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 912078165 RHQRCNZOOZAFNV-WMLDXEAASA-N 297.402 3.759 30 20 CHED CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccccc1 912817819 VUNLZBAIPMXGPD-UHFFFAOYSA-N 286.285 3.677 30 20 CHED C/C=C\C(=O)Nc1cccc(C#Cc2ccccc2)c1 912906631 GSTSZMJNYDSIES-UQCOIBPSSA-N 261.324 3.601 30 20 CHED N#CCCCCOC(=O)c1csc2ccccc12 914624596 GFBRHXBVMDJNTM-UHFFFAOYSA-N 259.330 3.752 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc3ccccc3c2)nc1 915966454 SDMZEEVNZQSWEF-UHFFFAOYSA-N 292.298 3.589 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1cc(F)ccc1F 915975382 BJBLGUNPFXDNBY-UHFFFAOYSA-N 296.267 3.757 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2c(C)n[nH]c2C)cc1 915986182 YYQUPURUYCABSO-KTKRTIGZSA-N 284.359 3.711 30 20 CHED N#Cc1ccc(SCCOC2CC2)cc1C(F)(F)F 917413235 YSXRQWZLSKCKMR-UHFFFAOYSA-N 287.306 3.848 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C1CCCC1 920105786 MAKCALBAKYCYMR-CQSZACIVSA-N 294.354 3.558 30 20 CHED C=CCC1(CN[C@H](C)c2cn(C(C)C)nn2)CCCC1 926543118 VLXMNYHWLNYUMB-CQSZACIVSA-N 276.428 3.646 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1 928219582 AFRIGSQCJBLGGG-ZIAGYGMSSA-N 270.376 3.576 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H](C)c1sc(C)nc1C 932197099 OFYZFWGPPYQTAB-WCQYABFASA-N 280.437 3.882 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 933785342 GPZAREVYJPWPGY-KBXCAEBGSA-N 290.366 3.700 30 20 CHED C=C(Br)CNC1(c2ccccc2OC)CCC1 1116469598 DTXLHEPGVSDMRW-UHFFFAOYSA-N 296.208 3.573 30 20 CHED N#CCOc1ccc(N[C@H](c2cncc(F)c2)C2CC2)cc1 1116914086 RRWRIHLKFFGACR-KRWDZBQOSA-N 297.333 3.686 30 20 CHED Cc1ccc(O)c(CNc2nc(C(C)(C)C)ccc2C#N)c1 1118810268 HIIOHUVTDFKPHM-UHFFFAOYSA-N 295.386 3.877 30 20 CHED C=C(C)CCC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 1120629021 MUNJATZWKGOYFD-GHMZBOCLSA-N 263.303 3.532 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CCC[C@@H](C)[C@@H]1C 1127682216 ZCCSARABJWZOQZ-PVXIVEMSSA-N 271.360 3.848 30 20 CHED C=C(Cl)CN(CC(C)C)c1cccc(OC)c1 1167733922 FXDUHXQIUBCLKY-UHFFFAOYSA-N 253.773 3.910 30 20 CHED COCCCON=CC1CCC(c2ccccc2)CC1 1257406011 WTJMKHQYAZXXHA-UHFFFAOYSA-N 275.392 3.999 30 20 CHED C=C(C)CCC(=O)N1CCC(c2ccc(F)cc2)CC1 1262634460 LQUNYMISUYQJBH-UHFFFAOYSA-N 275.367 3.888 30 20 CHED CCCC[C@H](C(=O)Nc1ccc(OC)c(C#N)c1)C(C)C 1288071787 VPERAXJGNPLKMJ-HNNXBMFYSA-N 288.391 3.968 30 20 CHED Cc1cccc(-c2cccc(C(=O)N[C@@H](C)CC#N)c2)c1 1293255449 VGPKGIUZADPGSF-AWEZNQCLSA-N 278.355 3.694 30 20 CHED C=C(CNC(=O)c1cc(CC(C)C)c[nH]1)c1ccccc1 1298913392 GVAPNDUZWTXENZ-UHFFFAOYSA-N 282.387 3.656 30 20 CHED C[C@H](Sc1cc(C#N)cnn1)c1ccc(Cl)cc1 1306947696 SRODPNBWKLEKSP-VIFPVBQESA-N 275.764 3.855 30 20 CHED Cc1sccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 1311100519 YRJMPIOIGZQKPE-JTQLQIEISA-N 285.372 3.811 30 20 CHED C[C@@H](CC1CCCCC1)Nc1cccc(CC#N)n1 1320889053 SFMAOLVIJYKTSN-ZDUSSCGKSA-N 257.381 3.918 30 20 CHED C=CC(C)(C)CC(=O)NCCCCOc1ccccc1 1331099034 SAIZIQGVIDPUAR-UHFFFAOYSA-N 275.392 3.564 30 20 CHED C=CCC1(NC(=O)[C@@H](C)CC2CCCCC2)CCOCC1 1334554610 WSQJEGKKYJHABB-HNNXBMFYSA-N 293.451 3.834 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1CCc1ccccc1 1337025309 GJKVLTHWQNUKDF-QGZVFWFLSA-N 271.404 3.967 30 20 CHED C=CCOc1cccc(CN(C)[C@H]2CC[C@H](SC)C2)c1 1341568673 ANOLFBPCQBSYNF-RDJZCZTQSA-N 291.460 3.967 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnc(N)s1 1343185844 DLSMGGAOUGFAMW-UHFFFAOYSA-N 283.441 3.548 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@H]1C[C@@H]1C1CC1)c1cccs1 1343900819 IBZOJRCYKHYLHM-IKVITTDRSA-N 289.400 3.928 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(OC)c1Br 1344588456 PKTKAWFVFPJITL-UHFFFAOYSA-N 298.180 3.608 30 20 CHED CC1(C)CCC[C@H]1c1nnc(COc2ccccc2C#N)o1 1346640581 YMVOSVLXVITKJY-ZDUSSCGKSA-N 297.358 3.814 30 20 CHED N#C[C@H](SCC(=O)OC1CCCCC1)c1ccccc1 1346815110 ORNCBJJXQZBTQB-HNNXBMFYSA-N 289.400 3.860 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(F)c3occc23)c1 1348069969 YQVAGXSTQDCAIS-UHFFFAOYSA-N 280.258 3.696 30 20 CHED O=C(C[C@@H]1C=CCC1)N(O)Cc1cccc2ccccc12 1350667035 JBBLODVKFCZUKB-CQSZACIVSA-N 281.355 3.914 30 20 CHED N#Cc1cc(N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)ccn1 1458370481 QVMYUAYBNSYUJO-QRVBRYPASA-N 289.382 3.726 30 20 CHED C[C@@H](NC(=O)OCC1CCCCC1)c1cccc(C#N)c1 1464493411 HHVDFQJXIPWCAM-CYBMUJFWSA-N 286.375 3.926 30 20 CHED C=CCC1(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)CCC1 1588764786 IVFQYEROSBGSQY-UHFFFAOYSA-N 293.750 3.723 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](C)[C@H](CC(=O)O)C1 1595705029 NYBJEVWIIRIEFS-HUUCEWRRSA-N 297.439 3.696 30 20 CHED N#CCCSCc1c(C(=O)O)sc2cccc(F)c12 1610622146 KKIBFMCUWXEFFU-UHFFFAOYSA-N 295.360 3.885 30 20 CHED CN(Cc1ccccc1Cl)C(=O)c1ccccc1CC#N 1628431753 OWRQJTGAIPVACV-UHFFFAOYSA-N 298.773 3.678 30 20 CHED N#Cc1cc(N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)ccn1 1639404217 ZAKYAKZLMHSFSN-MPTYRVRUSA-N 281.403 3.748 30 20 CHED N#Cc1cnc(S[C@@H]2CCc3ccccc3C2)c(F)c1 1640143538 STDJFGJOJQTENS-CQSZACIVSA-N 284.359 3.742 30 20 CHED COc1cc(CN2CCCC(C)(C)[C@H]2C#N)ccc1Cl 1653522532 NHYONAOAZUFHFO-OAHLLOKOSA-N 292.810 3.863 30 20 CHED CCC(CC)N(Cc1cccc(C#N)n1)CC(C)C 1658435128 YPGBPOXKFQOOIH-UHFFFAOYSA-N 259.397 3.600 30 20 CHED CCO[C@@H]1CCC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 1662681478 OCCBKDCXBBODHP-ZHALLVOQSA-N 298.430 3.873 30 20 CHED CCc1cc(C(=O)O)c(C=NOCc2ccccc2)s1 1776029436 RDFJHRUJOTYYTG-UHFFFAOYSA-N 289.356 3.559 30 20 CHED O=C(O)c1cc2cc(C=NNc3ccccc3)ccc2o1 1776032820 VZHYXBNSFCCHJL-UHFFFAOYSA-N 280.283 3.577 30 20 CHED Cc1c(NN=C2CC[C@H](C)[C@@H](C)C2)cccc1C(=O)O 1776087752 UFVODCYTMYIVLK-QWRGUYRKSA-N 274.364 3.917 30 20 CHED CCc1c(C)nc(-c2ccc(Cl)s2)nc1C#N 1898208375 RFCKBNYXPKOMMV-UHFFFAOYSA-N 263.753 3.601 30 20 CHED C=CCn1c(SCCCCC)nnc1-c1cccnc1 59845121 RWPSNWDYVBPOFW-UHFFFAOYSA-N 288.420 3.808 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C)c(Cl)c1 102983356 UBXLKDDYNDJBDW-UHFFFAOYSA-N 251.757 3.687 30 20 CHED N#Cc1ccc(Oc2nc3ccccc3s2)cc1 25369074 SVDWBEKABVGKHG-UHFFFAOYSA-N 252.298 3.960 30 20 CHED C=CCCCC(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 175719988 DYOJWFKHVUMGMA-WBMJQRKESA-N 295.810 3.889 30 20 CHED Cc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)c(C)o1 176427176 IBGIPCNGBDTSGA-UHFFFAOYSA-N 288.734 3.698 30 20 CHED N#CC1(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)CCCCC1 110576682 YHWVYZHPBSNNBO-IRXDYDNUSA-N 296.414 3.913 30 20 CHED Cc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)ccc1F 103717652 IZNXZTQRBOLEMN-FNORWQNLSA-N 272.323 3.808 30 20 CHED N#Cc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1Cl 21362734 WDIIXUUMZOCAOH-UHFFFAOYSA-N 296.757 3.882 30 20 CHED CC(C)=CCOc1cccc(C(=O)N(C)C2(C#N)CCC2)c1 173231413 ZZAUVVSABPIFBT-UHFFFAOYSA-N 298.386 3.550 30 20 CHED COc1ccc(N[C@@H](C#N)C2CCCCC2)c(OC)c1 115605883 QVDGTQPWBRYXLJ-HNNXBMFYSA-N 274.364 3.588 30 20 CHED CC(C)c1cnc(NC(=O)CCc2ccc(C#N)cc2)s1 172672472 WXDQPTYESWVEPF-UHFFFAOYSA-N 299.399 3.709 30 20 CHED CCN(C[C@@H](C)C#N)c1nc(C(F)F)nc2ccccc12 301569695 XNOWMMBNRMKQAG-JTQLQIEISA-N 290.317 3.553 30 20 CHED Cc1c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)oc2ccccc12 116806149 PFASRAGWIMSBTH-KZULUSFZSA-N 296.370 3.944 30 20 CHED C=CCCCCCN(C)C(=O)c1cc2nc(C)ccc2o1 172465301 VGMXHMRCKVXPFD-UHFFFAOYSA-N 286.375 3.955 30 20 CHED COc1cccc(/C=C2\CCOc3ccc(F)cc3C2=O)c1 22756535 OCKCDBCLGRIHRX-UKTHLTGXSA-N 298.313 3.883 30 20 CHED C=CCOc1ccccc1C(=O)N(C)c1cccc(C)c1 171299099 NWXPKPDJARJTAG-UHFFFAOYSA-N 281.355 3.836 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cc3cc(F)ccc3s2)C1 179931617 RIBVPFMBUVFXBB-JOYOIKCWSA-N 289.331 3.889 30 20 CHED C=CCCCC(=O)N(C)c1cc(Cl)ccc1OC 177858728 UVLIWLJPGGAMPU-UHFFFAOYSA-N 267.756 3.668 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1ccc(F)c(F)c1 178087385 MBGOQPVWPOEFFW-LJQANCHMSA-N 285.359 3.543 30 20 CHED Cc1cc(C)c(C(=O)N(C)Cc2cccc(C#N)c2)s1 600991259 QIGVBZFXJAQOBW-UHFFFAOYSA-N 284.384 3.509 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 302887838 OCTMBECTXBBLRU-YQVWRLOYSA-N 285.350 3.570 30 20 CHED COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)s2)C1 129852259 HZUSXNQLQSNSCE-ZDUSSCGKSA-N 298.411 3.618 30 20 CHED CCCN(Cc1ccc(C#N)s1)Cc1ccccc1O 124042357 OJGCSKCQKLMTNA-UHFFFAOYSA-N 286.400 3.738 30 20 CHED C#CCN(CCc1scnc1C)[C@@H]1CCc2ccccc21 74349849 DOISHIZINODPNC-QGZVFWFLSA-N 296.439 3.617 30 20 CHED CCCOc1ccc(CNC[C@@H](C)C#N)c(OCCC)c1 183831047 LMYIKOJIWMAIIR-AWEZNQCLSA-N 290.407 3.513 30 20 CHED C=C(CC)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 358623130 GVNULZNCHQVZMT-OAHLLOKOSA-N 273.376 3.561 30 20 CHED CCN(Cc1ccc2c(c1)CCCC2)C[C@@H](C)C#N 430231226 XRLVXDAADVLTEN-AWEZNQCLSA-N 256.393 3.547 30 20 CHED C=CCC1(C(=O)N(CC)CCc2ccccc2)CCC1 188278287 YBHDBXMAHJKDSB-UHFFFAOYSA-N 271.404 3.824 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCCCCC#N 184095954 OYUNPMUULOTQQH-RHSMWYFYSA-N 299.418 3.693 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)CCc2ccc(C#N)cc2)CC1 188807787 NGULCRWHLAEUMJ-RHSMWYFYSA-N 284.403 3.576 30 20 CHED Cc1c(C#N)cccc1C(=O)NC(C)(C)CC(C)(C)C 509127515 XYARJRBQGKYCLX-UHFFFAOYSA-N 272.392 3.811 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)c1ccc(C#N)cc1 125044901 YGBDXMTYSFIBBN-UHFFFAOYSA-N 272.392 3.703 30 20 CHED C=CCOc1ccc(CNc2cccc(C)n2)cc1 121586987 YNTFIIKAHFFXMI-UHFFFAOYSA-N 254.333 3.567 30 20 CHED Cc1ccc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2O)s1 122226586 UTOZQMHPPBGMMH-XBLUXWHVSA-N 290.344 3.850 30 20 CHED Cc1cc(C)n(-c2cccc(NCc3ccc(C#N)o3)c2)n1 120593986 BCKURFKGBPVBNK-UHFFFAOYSA-N 292.342 3.566 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc3ncccc3c2)C1 185888753 YYJPEOYQRRFJRA-JSGCOSHPSA-N 251.333 3.729 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc2cc(Cl)ccc2o1 410825320 FRTDIBUNCWZQLD-GFCCVEGCSA-N 290.750 3.850 30 20 CHED C=CCOc1ccc(CNc2ccon2)cc1Cl 182192883 JKSKWQQKDSYKMI-UHFFFAOYSA-N 264.712 3.505 30 20 CHED N#Cc1cc2c(nc1NC(=O)CC1CCCCC1)CCCC2 121924759 YMBDAFPSVZIUCM-UHFFFAOYSA-N 297.402 3.741 30 20 CHED N#CCCCOc1cccc(CN[C@@H]2C[C@H]2c2ccco2)c1 414574290 DNJILCRAMUXXDU-IAGOWNOFSA-N 296.370 3.608 30 20 CHED CCCc1cccc(CNCc2ccc(OCC#N)cc2)c1 187214194 DIEWDFKXCGKIAJ-UHFFFAOYSA-N 294.398 3.831 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1F)c1ccc(OC)cc1 120228096 UEMOAPYKWTZUSF-SFHVURJKSA-N 298.361 3.947 30 20 CHED CC1(C)[C@@H](/N=C/c2c(O)ccc3ccccc23)[C@@H]2CCO[C@@H]21 78052681 UXYMZXLCDKUGET-XYRUNGFISA-N 295.382 3.778 30 20 CHED C[C@H](NC[C@@]1(N(C)C)CCC[C@@H](C)C1)c1ccc(C#N)cc1 314981813 XUGQGYNOMLXLSI-JTDSTZFVSA-N 299.462 3.719 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cccc2cccnc12 213198432 LMEBTDZWXGJZFJ-KHPPLWFESA-N 299.333 3.758 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(C)ccn1)c1ccccc1 186219930 ABSXCGSTHJIDME-OAHLLOKOSA-N 266.344 3.688 30 20 CHED CC(C)c1ccsc1C(=O)NCC#Cc1ccccc1 48912362 BMASIUUDEVEQSI-UHFFFAOYSA-N 283.396 3.653 30 20 CHED C=C(C)CN(C)[C@@H](C)c1nc(-c2ccccc2C)no1 181286199 PCKPKRLXRUITRB-ZDUSSCGKSA-N 271.364 3.614 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cccnc1C 414542729 YOWGULHQYSHJKI-SFHVURJKSA-N 266.388 3.667 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)Cc1ccccc1Cl 131178806 UGBQWDUWZORXPB-STQMWFEESA-N 292.810 3.527 30 20 CHED C#CCCCNC(=O)Nc1cc(Cl)ccc1Cl 174206889 ZJDQUCIQWOKCKI-UHFFFAOYSA-N 271.147 3.528 30 20 CHED COC1([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)CCC1 414298919 HOHUECNIBOEVEZ-KBXCAEBGSA-N 298.430 3.873 30 20 CHED N#CC1(CNCc2cnc(C3CCCC3)s2)CCC1 418136600 CQXYHVRSERUCLT-UHFFFAOYSA-N 275.421 3.584 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 49882741 SINPKVYXVFLJPH-OAHLLOKOSA-N 284.746 3.643 30 20 CHED Cc1ccc(C(=O)N2CCCc3cc(C#N)ccc32)cc1C 410998534 MPGWNAUBYRSFJE-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C=CCC[C@H](NCC1CCN(c2ccncc2)CC1)C1CC1 89215349 ZBMSLWQUCDIFGO-IBGZPJMESA-N 299.462 3.632 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccccc2)co1 412323050 QPJVJFNKGKYMEM-INIZCTEOSA-N 270.332 3.882 30 20 CHED CC1(C)CCCC[C@@H]1/N=C(/O)C[C@@H]1CCCC(O)=N1 329647268 JRQGRHGFJMUVBL-RYUDHWBXSA-N 266.385 3.811 30 20 CHED N#Cc1ccc(F)c(CN2CCCc3sccc3C2)c1 609322581 CYXKAELQZXLXCD-UHFFFAOYSA-N 286.375 3.707 30 20 CHED Cc1csc(C2(NCCCCC#N)CCCC2)n1 83215774 WYLYSHDPWWMZCZ-UHFFFAOYSA-N 263.410 3.504 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CSC(CC)(CC)CC 191934927 ODXXFBHNNQHARW-CYBMUJFWSA-N 284.469 3.697 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C#N)s2)cccc1[N+](=O)[O-] 130124440 MTYCSOZEGZRTAL-BQYQJAHWSA-N 298.323 3.733 30 20 CHED N#Cc1csc(C(=O)N[C@H](c2ccccc2)C2CC2)c1 84073305 DPOOGCSDPIUELE-OAHLLOKOSA-N 282.368 3.501 30 20 CHED CC(C)c1nc2ccc(NC(=O)C(C)(C)C#N)cc2s1 49345048 DNJCVUVHDCCDPH-UHFFFAOYSA-N 287.388 3.908 30 20 CHED Cc1nc(C(C)C)oc1CN(CCC#N)CCC(C)C 428249366 VAKXGPBWOCRCJF-UHFFFAOYSA-N 277.412 3.868 30 20 CHED CC(C)c1ccc(C(=O)/C=C/c2csnn2)cc1 193341587 JTURSSKAFSYVHJ-BQYQJAHWSA-N 258.346 3.558 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccccc2N2CCCCC2)C1 193272042 OARKOXLYNCDRNP-WMZOPIPTSA-N 297.446 3.849 30 20 CHED CC(C)(CCC#N)CN1CCC[C@@H](CC(F)(F)F)C1 421381643 AQMYNHIDKJHFBS-LBPRGKRZSA-N 276.346 3.981 30 20 CHED CC[C@H](/N=C(/O)[C@H]1CCCC(O)=N1)c1cccs1 328771177 CTMUCLVXIRUFOI-VHSXEESVSA-N 266.366 3.665 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@@H](C#N)C(C)(C)C)cc1 85438384 QAIOPRJXQRQUDN-CJNGLKHVSA-N 286.419 3.797 30 20 CHED CC[C@@H](C)CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 422217663 WZHMTWHPYCJYFR-CQSZACIVSA-N 287.407 3.524 30 20 CHED C=CCCO[C@H](C)C(=O)N(c1ccccc1C)C(C)C 517168610 GIPKSFXUBSJFSK-OAHLLOKOSA-N 275.392 3.718 30 20 CHED CC1(C)CC[C@H](/N=C(/O)[C@H]2CCC(=O)c3cccn32)C1 329873693 CHUWPOPEZUTXTH-WCQYABFASA-N 274.364 3.541 30 20 CHED COC1([C@@H](C)NCc2ccc(C#N)c(F)c2)CCCCC1 421865712 ZWLNTLZUGZQLJD-CYBMUJFWSA-N 290.382 3.525 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(N2C[C@@H]3CC[C@@H]2C3)cc1 192407785 BWLJLDIHTMHBFY-JJRVBVJISA-N 299.418 3.761 30 20 CHED C[C@H](/N=C(/O)C[C@@H]1CCOC1)c1nc(C(C)(C)C)cs1 329797074 XBMASNQFCKYGIK-QWRGUYRKSA-N 296.436 3.885 30 20 CHED Cc1cc(N=C(O)[C@H]2C[C@@H]2C2CC2)cc2n[nH]cc12 329074620 PIEYNAIPOPDXIN-NEPJUHHUSA-N 255.321 3.505 30 20 CHED CCc1cc(C#N)c(NC(=O)CC[C@H](C)CC)s1 516338376 RPPYSMVRFBDMPE-SNVBAGLBSA-N 264.394 3.947 30 20 CHED CCN(CCC#N)[C@H](C)c1ccc(OC(F)(F)F)cc1 81070325 IQTBUIVBFZBBGF-LLVKDONJSA-N 286.297 3.882 30 20 CHED Cc1ccc(CC(=O)Nc2sccc2C#N)c(Cl)c1 336284343 HJBJTXPTVMDLET-UHFFFAOYSA-N 290.775 3.763 30 20 CHED C=CCN(C)Cc1cc2ccccc2nc1N1CCCCC1 428377344 GYJCRHBMZINGAV-UHFFFAOYSA-N 295.430 3.843 30 20 CHED CC(C)(C)CCc1noc(Cc2c(F)cccc2C#N)n1 515149897 PHHOBOQZTMTECG-UHFFFAOYSA-N 287.338 3.650 30 20 CHED C[C@H](SCC(=O)c1cccn1C)c1cccc(C#N)c1 190882492 SNKNJXOACMDGQH-LBPRGKRZSA-N 284.384 3.574 30 20 CHED CCCCCN(C(=O)c1ccccc1OCC#N)C(C)C 194188516 ZVYWLYJHIYKQQK-UHFFFAOYSA-N 288.391 3.630 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 331067383 QPZRSRSHLPHOAZ-CZUORRHYSA-N 284.403 3.796 30 20 CHED Cc1cc2cc(CN[C@@H]3CC[C@H](C#N)C3)oc2cc1C 424191684 HSKXHWUVJHMFCF-DZGCQCFKSA-N 268.360 3.832 30 20 CHED CN(CCCCC#N)Cc1cccc(C(F)(F)F)c1 195052395 IZNZPTFXCIRFDX-UHFFFAOYSA-N 270.298 3.831 30 20 CHED CN(Cc1cccs1)c1c(Cl)cccc1C#N 517639417 WYSHFAYPOHVCLX-UHFFFAOYSA-N 262.765 3.910 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(CC#N)cc1Cl 335584159 PYUSEOPJHCKGLC-GHMZBOCLSA-N 291.782 3.811 30 20 CHED CCCCN(CC(F)(F)F)CC(C)(C)CCC#N 91951325 CAHKPCSBURLCIJ-UHFFFAOYSA-N 264.335 3.981 30 20 CHED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1-c1ncco1 515975046 WYMXNECLEZWAMK-CHWSQXEVSA-N 267.332 3.754 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC2CCC1CC2 425116635 VXGURIXAJVAZDD-YMEAELAKSA-N 296.414 3.904 30 20 CHED C=C1CCN(C(=O)c2ccc(Cl)c3ncccc23)CC1 334420567 CIDRMVIJPGTIDL-UHFFFAOYSA-N 286.762 3.680 30 20 CHED N#CCCn1nc(-c2ccccc2)nc1-c1ccccc1 146461712 RDMGQVWVUCARHZ-UHFFFAOYSA-N 274.327 3.526 30 20 CHED COc1cc(SC)ccc1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331337366 ZIWIIVHSJWLKJF-GHMZBOCLSA-N 294.420 3.932 30 20 CHED CC(C)(CCC#N)CN1CCc2c(F)ccc(F)c2C1 93815815 OXGPPRFMVLGSMO-UHFFFAOYSA-N 278.346 3.653 30 20 CHED COc1ccccc1/C=C/CN1CCC(CCC#N)CC1 517148086 BDFJCRBDDZZVEN-VMPITWQZSA-N 284.403 3.724 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCc1cccc(C)c1 436280974 CQKSZZDZPYFWNF-WDSOQIARSA-N 287.447 3.887 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCC1CCC(F)(F)CC1 336981321 DFXOIWMTUHXDDI-UHFFFAOYSA-N 295.289 3.704 30 20 CHED CC1(C#N)CCC(N[C@H]2C[C@H](c3ccccc3)C2)CC1 336204555 CPYSCEUZAKXBQJ-HFFNAHSWSA-N 268.404 3.995 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(COC(C)C)c1 436136984 UIXLONVNAAOQRD-UHFFFAOYSA-N 298.342 3.637 30 20 CHED C=C(C)COCCN[C@@H]1CC[C@](C)(c2ccccc2)C1 438201690 QTRUXUWFCSIFIM-MSOLQXFVSA-N 273.420 3.679 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cncc2ccccc12 525954386 RMZHHCKTKKYBLP-MRXNPFEDSA-N 254.333 3.776 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CC(C)(C)C1CC1 342861278 VWMOCAUSFHRFGA-UHFFFAOYSA-N 285.391 3.755 30 20 CHED C=C[C@@H](CC(=O)N(C)c1ccccc1C#N)c1ccccc1 340407069 VXWSRNIBKONIBN-HNNXBMFYSA-N 290.366 3.881 30 20 CHED CC(C)Cc1ccc(CCCC(=O)NCCCC#N)cc1 342635241 QYMKRKAVCLDMHZ-UHFFFAOYSA-N 286.419 3.628 30 20 CHED Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2C#N)c1 247972174 AZQGVGWFYSYIGU-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)c(F)c1 433228619 PMJXIWCQTPLEFW-HNNXBMFYSA-N 296.345 3.845 30 20 CHED CCCN(C(=O)c1cc(C#N)oc1C)c1ccccc1F 602381109 ZSNDWNJVQIZRDU-UHFFFAOYSA-N 286.306 3.656 30 20 CHED N#CCC1(CNc2ccnc3c(Cl)cccc23)CC1 343047838 YTSGGOUCXRVWJU-UHFFFAOYSA-N 271.751 3.994 30 20 CHED C=CCCN(C)C(=O)CCSc1ccc(C)cc1 341949236 MMCMCDMTFZSKKC-UHFFFAOYSA-N 263.406 3.512 30 20 CHED Cc1cc(OCc2nccn2-c2ccccc2)ccc1C#N 434647754 HSYSLDYAZRWFGX-UHFFFAOYSA-N 289.338 3.631 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(F)c(F)c1 432481215 AWGKVCIQHRWEML-UHFFFAOYSA-N 268.307 3.689 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@@H](C)[C@H]1C1CC1 528286816 ORTLUWSHEWKIHK-DOPJRALCSA-N 296.414 3.587 30 20 CHED COc1ccc(N=Cc2ccccc2O)c2cccnc12 255514464 ZKXWHTOSPWBGLA-UHFFFAOYSA-N 278.311 3.700 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC(CC)(CC)CC 437910286 WDCNAWQGSXDNDN-OAHLLOKOSA-N 269.429 3.548 30 20 CHED O=C(/C=C\c1ccsc1)c1cc(F)cc(F)c1 255364924 NEJGZEAFXSCTFE-UPHRSURJSA-N 250.269 3.922 30 20 CHED C=CCSc1nnc(-c2cccc(C)c2)n1CCC 255938539 NOZADRZQFQQOGY-UHFFFAOYSA-N 273.405 3.942 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N(CCC#N)CC(F)(F)F 347583769 FFASFUQPVZJQHW-NSHDSACASA-N 292.345 3.753 30 20 CHED Cc1cc(C)c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)s1 601534643 GOOIIKNLISRNNX-HNNXBMFYSA-N 296.395 3.654 30 20 CHED N#C[C@H](SCc1cccc(OC(F)F)c1)C1CC1 601078680 OPIGWJSQDYPYQY-LBPRGKRZSA-N 269.316 3.823 30 20 CHED Cc1ncc([C@@H](C)NC2CCC(C)(C#N)CC2)s1 601299193 KFPPYJKSVOLORV-PWQPVHBWSA-N 263.410 3.575 30 20 CHED N#Cc1csc(CNCC[C@@H]2CCc3ccccc32)c1 449381661 ZFHWNSLRUWKNKD-HNNXBMFYSA-N 282.412 3.829 30 20 CHED CCOc1cccc(C=Nc2ccc(F)c(F)c2)c1O 255492989 HPNLZVWSLOGJBV-UHFFFAOYSA-N 277.270 3.820 30 20 CHED CCN(C[C@H](C)CCC#N)[C@H]1CCN(Cc2ccccc2)C1 602618221 RQZKXYSTRIYSLI-MJGOQNOKSA-N 299.462 3.523 30 20 CHED C=CCCOCC(=O)N1CCC[C@H]1c1cccc(C)c1C 607659095 HBDPOULKRFOWKJ-KRWDZBQOSA-N 287.403 3.560 30 20 CHED Cc1ccc(-c2nc(CNc3cccnc3C#N)co2)cc1 357488781 QOIUZTKXBXQGMA-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CCCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(C)c1 442852298 HJVMXIYTBFGLEJ-GDBMZVCRSA-N 272.392 3.566 30 20 CHED CCC[C@@H](Cc1ccccc1)NC[C@@H](C)CCC#N 602529147 DYNTYJNBLZYABW-RDJZCZTQSA-N 258.409 3.927 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(COC2CCCC2)cc1 449915373 ODMDUVMZNYDVIX-SCLBCKFNSA-N 298.386 3.634 30 20 CHED COc1cccc(Cl)c1CNC1CCC(C)(C#N)CC1 449279344 PQHKOSVCXAXAOU-UHFFFAOYSA-N 292.810 3.911 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1CN(C)C1CCCCC1 357833644 PWVAGMVRTLGBTB-AWEZNQCLSA-N 299.418 3.549 30 20 CHED N#Cc1cccc(SCC(=O)C2(c3ccccc3)CC2)c1 356041090 GEDKPBCJXKLLKB-UHFFFAOYSA-N 293.391 3.951 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H](C)C[C@H](C)C1 538283252 SGJNQLBLUIGAID-CVEARBPZSA-N 281.440 3.644 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](CC)c1ccccc1 353174104 OPSKUIIJUHPYME-GJZGRUSLSA-N 260.381 3.792 30 20 CHED N#CCCC[S@](=O)Cc1ccc(C2CCC2)cc1 447121437 QSRIXLGMWSGSAW-SFHVURJKSA-N 261.390 3.507 30 20 CHED C=CCCC(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 264550040 VSZBCJQAGZXYNR-LBPRGKRZSA-N 287.359 3.893 30 20 CHED N#Cc1ccc(N2CC[C@H](CSc3ccccc3)C2)nc1 266245313 YRZUCXOJQLTBOV-HNNXBMFYSA-N 295.411 3.572 30 20 CHED CCc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 448562419 TTWJYJDEIJCBEP-QGZVFWFLSA-N 268.360 3.662 30 20 CHED CC[C@H](C)CN(C)C(=O)C[C@H](CC#N)c1ccccc1 355979255 CQRQPRMOZBRBHW-HOCLYGCPSA-N 272.392 3.578 30 20 CHED CCC1(CC)CCC(NC(=O)CC(C)(C)C#N)CC1 357121435 NBBPHOPITUNDMB-UHFFFAOYSA-N 264.413 3.791 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](CC)Nc1ccccc1 539523108 RTEKUXQXDXVJER-GDBMZVCRSA-N 274.408 3.738 30 20 CHED CC(C)[C@H](CC(F)(F)F)N[C@H]1CCC[C@@H](C#N)C1 446814866 ZWIOBWPOZOPTEX-WOPDTQHZSA-N 262.319 3.635 30 20 CHED C=CCCC1(C(=O)N2CCc3c(F)cc(F)cc3C2)CC1 356449596 AUUMZJMZHXMBKV-UHFFFAOYSA-N 291.341 3.596 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 266145435 MIULVSKCPGJDNG-SWLSCSKDSA-N 293.794 3.595 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H]1C1CCCCC1 610211110 VBIFHIUPKLGWDA-HOCLYGCPSA-N 285.347 3.847 30 20 CHED Cc1cc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)ccc1C#N 449424974 LHTOUVAWLJYJQR-RDTXWAMCSA-N 292.382 3.869 30 20 CHED C[C@H](CC#N)NCCCOc1ccc2ccccc2c1 610769422 NSQJNRIWQFVLQR-CQSZACIVSA-N 268.360 3.500 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2cccs2)CCCC1 449526092 YROVSKZLSPLZMA-CYBMUJFWSA-N 277.433 3.932 30 20 CHED N#Cc1ncccc1N1CCC(c2c(F)cccc2F)CC1 357444398 UBFGDFVKPBMIGC-UHFFFAOYSA-N 299.324 3.615 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@@H](CC(C)C)c1ccccc1 611250532 KJTUPVZXTOAANY-IRXDYDNUSA-N 286.419 3.871 30 20 CHED CCc1cc(C)nc(Oc2ccc(C#N)cc2Cl)n1 612398576 WMMKLMJATXIXSV-UHFFFAOYSA-N 273.723 3.665 30 20 CHED C=CCn1c(C)nnc1N(Cc1ccc(C)c(C)c1)C1CC1 350753431 ZPCZCRDIPIXFHG-UHFFFAOYSA-N 296.418 3.558 30 20 CHED C=C1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC1 264442003 BWXXITQTRCOBDO-AWEZNQCLSA-N 297.320 3.901 30 20 CHED Cc1cc(C)cc(CCNC(=O)Nc2ccc(C#N)cc2)c1 610141100 SYRIQETWXVDVJD-UHFFFAOYSA-N 293.370 3.539 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(OC(C)C)cc1 610901349 SILDYECDVIRYSK-UHFFFAOYSA-N 294.354 3.906 30 20 CHED CC[C@H](CC(F)(F)F)NC(=O)Nc1cc(C)cc(C#N)c1 455951647 HNRXWKMIBHOPTJ-LLVKDONJSA-N 299.296 3.719 30 20 CHED C=CCOc1ccc(C(=O)N(CC)[C@@H](C)CC)cc1OC 616984627 LEVJZZNLVIKLGU-ZDUSSCGKSA-N 291.391 3.521 30 20 CHED CC(=O)CCCCCOc1ccc(C#N)cc1Cl 450740242 TWFPDMZGGQIGIS-UHFFFAOYSA-N 265.740 3.740 30 20 CHED CC1(F)CC(N[C@@H]2CCCCc3cc(C#N)ccc32)C1 453236558 LLBUOVHOXLYFGP-ARWYELJZSA-N 272.367 3.806 30 20 CHED CCCCC(=O)Nc1ccc(CC#N)cc1Cl 452650195 VALAVAQDCUBSBI-UHFFFAOYSA-N 250.729 3.535 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1CCSc2ccccc21 452775587 OOTPPKWDXQRPTH-CYBMUJFWSA-N 275.417 3.594 30 20 CHED C=CC[C@H]1CCCN(C(=O)CNc2c(C)cccc2C)C1 617782975 QHBLCGZZCGVOIW-INIZCTEOSA-N 286.419 3.530 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)Nc1cccc(C#N)c1 454196793 AGTJXASZPHUKLA-QGZVFWFLSA-N 285.391 3.991 30 20 CHED Cc1sc(NC(=O)[C@@H](C)C2CCC2)c(C#N)c1C 459846231 OTBLCRJFBXITID-VIFPVBQESA-N 262.378 3.611 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)CCCC=C 540483176 YXNJQCQOUVNJRD-OKILXGFUSA-N 252.402 3.775 30 20 CHED CCN(C(=O)c1cc(C)sc1C)c1ccc(C#N)cc1 610252316 LAUUMSPSMSLUKB-UHFFFAOYSA-N 284.384 3.903 30 20 CHED CCCCOc1ccccc1NC(=O)CC(C)(C)C#N 278317270 VANXHVKMVLSBOQ-UHFFFAOYSA-N 274.364 3.744 30 20 CHED C=CCCC[C@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 540335762 FVOMPOWDBZOUJI-ZDUSSCGKSA-N 274.364 3.698 30 20 CHED N#CCC1CCN(C(=O)NCCCC2CCCCC2)CC1 542845429 AKKNJCMJIQGXDS-UHFFFAOYSA-N 291.439 3.682 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCO[C@@H](C(C)C)C2)c1C#N 273396133 VSEGUAKUIIIXIL-BXUZGUMPSA-N 293.798 3.531 30 20 CHED Cc1nn(C)c(Cl)c1CSCCC(C)(C)C#N 276647820 UNLLETNTSAPXHS-UHFFFAOYSA-N 271.817 3.555 30 20 CHED CC#CCCNC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 541747069 YQZJJSBGRPCELU-SJORKVTESA-N 293.451 3.672 30 20 CHED N#Cc1cc(N[C@H]2CSc3ccccc32)ccc1[N+](=O)[O-] 361702825 UAKXMQVENLZEQK-ZDUSSCGKSA-N 297.339 3.725 30 20 CHED C#CC[C@@H](NCc1ccc(OCC)cc1)c1ccccc1 270171320 HQTBBXYPVOXFRS-LJQANCHMSA-N 279.383 3.940 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(C)n(C)nc3c2)CC1 362387642 XZIFDEOKAKFVAT-UHFFFAOYSA-N 283.375 3.567 30 20 CHED CCc1nc(CNc2ccccc2O[C@H](C)C#N)cs1 272384492 BWQYWVIYGGQISF-LLVKDONJSA-N 287.388 3.608 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc(F)cc1Cl 459229696 IRLYTUSXCVESQG-UHFFFAOYSA-N 283.734 3.540 30 20 CHED CCN(Cc1ccc(OC)cn1)[C@H](C)c1ccc(C#N)cc1 271782901 HFCPWWLOLSUVOP-CQSZACIVSA-N 295.386 3.545 30 20 CHED C=CCC[C@H](NCc1cccnc1C)c1ccco1 624163925 QNUOTEGUHYYYPG-HNNXBMFYSA-N 256.349 3.780 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(C#N)s1 452508497 IMQNQAWIYVDJOE-HNNXBMFYSA-N 276.405 3.661 30 20 CHED C=CC[C@H](CC)NC(=O)NC1(Cc2ccc(F)cc2)CC1 458747088 YVACXQCEOPWSNM-HNNXBMFYSA-N 290.382 3.555 30 20 CHED C=CCC1(C(=O)N2CCOC3(CCCC3)C2)CCCCC1 450151678 ZWQIESSMOQIKAW-UHFFFAOYSA-N 291.435 3.685 30 20 CHED CCN(C(=O)CC(C)(F)F)[C@@H](C)c1ccc(C#N)cc1 276984162 HKFFGNGYIZRWRG-NSHDSACASA-N 280.318 3.513 30 20 CHED CC(C)(C#N)CC(=O)N1CCc2c1cccc2C(F)(F)F 278835683 QYGMPBOVVYPDCD-UHFFFAOYSA-N 296.292 3.534 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C)cc1F 466366159 DAKNVWFNSCALJP-NSHDSACASA-N 250.317 3.610 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(C(C)C)nc1 620858093 VYPHYRDFNULWQH-UHFFFAOYSA-N 260.381 3.680 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1c(C)cc(C)cc1C 467739602 GXACNAHBEANJRB-GOSISDBHSA-N 273.420 3.873 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)c1cccc(F)c1 620858581 KDYRWJXDISIAJI-GFCCVEGCSA-N 263.356 3.790 30 20 CHED C#CCCCCC(=O)N1CCC(c2cccc(F)c2)CC1 373139580 KYWCAYDMCZNFKF-UHFFFAOYSA-N 287.378 3.725 30 20 CHED N#Cc1ncccc1N1CCC(c2cccc(F)c2F)CC1 378055941 LAQSFPSWXAGCHL-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C[C@H]1CC[C@H](c2ccccc2)N(C(=O)CC(C)(C)C#N)C1 288582806 XNCSFWXHIBUACJ-GOEBONIOSA-N 284.403 3.926 30 20 CHED CC(C)(CNC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 556060279 CVGQEWZRHAGQAE-CYBMUJFWSA-N 289.810 3.651 30 20 CHED CCc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 469029851 RZDWHIJLGBAYPE-UHFFFAOYSA-N 264.372 3.753 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 466426918 UFVKPILYFPIMLW-HUUCEWRRSA-N 296.336 3.811 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCNc2ccccc21 280940012 WAKDFONINMFTEI-WBAXXEDZSA-N 286.419 3.504 30 20 CHED Cc1c([N+](=O)[O-])ccc(F)c1NCCCC(C)(C)C#N 283606754 UCBVVVVVUSDKJC-UHFFFAOYSA-N 279.315 3.784 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@@H](C)c2cccs2)no1 551015977 IBQBJDKYXDOHBN-JTQLQIEISA-N 296.355 3.525 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)CCC#N 558245279 HKGNRHGLXNZXFI-CYBMUJFWSA-N 289.379 3.884 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cn(C(C)C)nn2)cc1 286968902 BYGJGYQZHPOFCJ-ZHACJKMWSA-N 283.375 3.708 30 20 CHED N#CCc1ccccc1NC(=O)Cc1ccc(Cl)cc1 550080981 YUWXXJLPQBRDDW-UHFFFAOYSA-N 284.746 3.587 30 20 CHED C=CCCCCNC(=O)[C@@H](CC)c1ccc(OC)cc1 471680115 RZTCDMSDSFYSPF-INIZCTEOSA-N 275.392 3.661 30 20 CHED C=CCCC(=O)N(c1cc(C)ccc1C)C1CCOCC1 637685399 NYPLKLZAGKXHKL-UHFFFAOYSA-N 287.403 3.782 30 20 CHED C=CCC1(C(=O)NCC2(N(C)C)CCCCCC2)CCC1 478354314 LPZZBYOGHMDVBR-UHFFFAOYSA-N 292.467 3.504 30 20 CHED N#CCCN(CCOc1cccc2ccccc12)CC1CC1 478033112 ZOTVHKWMAHUNEI-UHFFFAOYSA-N 294.398 3.844 30 20 CHED N#CCCCC(=O)NC1CCC(c2ccccc2)CC1 292721020 UBJUWYZLSQAZTQ-UHFFFAOYSA-N 270.376 3.523 30 20 CHED C=C(C)[C@H](NC(=O)N(C)CC(C)C)c1ccc(F)c(F)c1 477747761 VHFGAHNOOMKCEB-HNNXBMFYSA-N 296.361 3.879 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCCC[C@@H]1CC 292871420 HLAFOLBOHBMGGA-AWEZNQCLSA-N 274.412 3.501 30 20 CHED CCOc1ccccc1OCCOc1cc(C#N)ccc1C 389440501 NQVHTGMTWIDYLL-UHFFFAOYSA-N 297.354 3.723 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)c1cccc(F)c1 802749399 BMHUWSLHFOIEAO-QWRGUYRKSA-N 253.342 3.549 30 20 CHED Cc1csc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)c1C#N 562477964 YYGJPFYOEQIIPO-AAEUAGOBSA-N 289.404 3.725 30 20 CHED C[C@H](C#N)OCCNC1(c2c(Cl)cccc2Cl)CC1 801937982 BEMPGCVAASQHBY-SNVBAGLBSA-N 299.201 3.501 30 20 CHED C=CCC1(C(=O)N2CCC3(CC2)CC3)CCCCC1 648301550 UVALUVATNMWBQK-UHFFFAOYSA-N 261.409 3.916 30 20 CHED C#Cc1cncc(C(=O)N[C@H](C)CCC2CCCCC2)c1 806867231 PAIFIFIIPJENDS-CQSZACIVSA-N 284.403 3.542 30 20 CHED COc1ccc(C=NN[C@H]2CCCC2(C)C)c(C)c1OC 807984491 AJEGLLFKHXWYAN-HNNXBMFYSA-N 290.407 3.514 30 20 CHED C=CCN(C(=O)c1cc(C)ccc1O)c1ccccc1 641896892 NLZOINORCORISK-UHFFFAOYSA-N 267.328 3.533 30 20 CHED C=CCCCCCCNC(=O)c1ccc2c(c1)COC2 805220511 UUNAWRZLWFSMHP-UHFFFAOYSA-N 273.376 3.583 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 567237803 SGXPMRZTRYIIME-YOEHRIQHSA-N 272.392 3.593 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N1CCCC(C)(C)[C@H]1C#N 562421732 VSOVBCZFHFEEMZ-QLFBSQMISA-N 276.424 3.744 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cncc(Cl)c1C 296739852 AHPKVEQEFHCUMV-SNVBAGLBSA-N 267.760 3.520 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C)c1c[nH]c2ccccc12)C(C)(C)C 807884585 PUNSTNNEPMAHKE-SUMWQHHRSA-N 296.414 3.826 30 20 CHED C=C(C)COC(=O)c1csc(-c2ccc(OC)cc2)n1 804969345 CWZDGGVNZUWJNV-UHFFFAOYSA-N 289.356 3.552 30 20 CHED CC[C@@H](C)N(C)CCNc1ccc(C#N)cc1C(F)(F)F 569633651 HEXLUKXWDLOEDV-LLVKDONJSA-N 299.340 3.719 30 20 CHED C=CCn1cccc1C(=O)N(Cc1ccccc1C)C1CC1 488381810 TVCCUEQUOXYZEI-UHFFFAOYSA-N 294.398 3.787 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H]1CCc2ccc(F)cc21 562364293 KKDVINSTQFVNPV-HOCLYGCPSA-N 288.366 3.563 30 20 CHED C#Cc1ccccc1CC(=O)N1CC[C@H](C)c2ccccc21 812910880 GBRQUAMUUYHJHW-HNNXBMFYSA-N 289.378 3.751 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1sccc1Cl 564716070 YTPVJQBSXUJJFS-MRXNPFEDSA-N 275.826 3.590 30 20 CHED COCC(=NNc1ncccc1C)c1cccc(Cl)c1 814911443 HZUXUUXINNSPLV-UHFFFAOYSA-N 289.766 3.506 30 20 CHED CC(C)(CC#N)COC(=O)c1ccc2c(c1)CCCCC2=O 810676859 YHETXFCYXVBUQS-UHFFFAOYSA-N 299.370 3.692 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)C1(F)CCCCC1 810608567 UOYRGKWQZGNUTN-UHFFFAOYSA-N 294.753 3.907 30 20 CHED CCC(=NNc1ccc(F)cn1)c1ccc(F)cc1F 814842478 JLUYKYPEJGPMBS-UHFFFAOYSA-N 279.265 3.725 30 20 CHED CC(=NOCCOC(C)C)c1ccc(C(F)(F)F)cc1 812237453 AUEVEWUAAQXBKF-UHFFFAOYSA-N 289.297 3.871 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC)c(Cl)c1 486788088 NYACPKHQXXYAHX-LBPRGKRZSA-N 294.782 3.921 30 20 CHED COC(=O)c1c(F)cccc1NN=C1CC[C@H]1C1CCC1 814923721 XPJQXGXWFHPLHH-NSHDSACASA-N 290.338 3.590 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cc(-c3ccccc3)ccc2O)C1 818230921 POSVGIDVBMXMRD-KBXCAEBGSA-N 292.382 3.841 30 20 CHED C=CCC[C@H](N[C@H](C)Cc1ccccn1)c1ccco1 655834267 NBWVFJKHPPIYIU-ZBFHGGJFSA-N 270.376 3.903 30 20 CHED Oc1c(Cl)cc(Cl)cc1C=NOC/C=C\Cl 811668332 DTXXOFCJUIJIQR-MTTUKDABSA-N 280.538 3.802 30 20 CHED COc1cc(C(C)=O)ccc1Sc1ccc(C#N)c(C)n1 488099581 QVVMBTCUIAGPHW-UHFFFAOYSA-N 298.367 3.624 30 20 CHED C=CCCCCS[C@@H](C)C(=O)NCc1cccs1 578227058 LSJLHTKONZLOAX-LBPRGKRZSA-N 283.462 3.842 30 20 CHED N#Cc1ccc(COC(=O)CCCC2CC2)c(Cl)c1 812601203 PQXFRIBNLVJHHF-UHFFFAOYSA-N 277.751 3.835 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1 482239761 FQRIXWOESXMZQL-RHSMWYFYSA-N 298.430 3.822 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H]1CCC[C@H](OC)C1 483818713 IGMXPPLQTSVHER-CABCVRRESA-N 294.439 3.560 30 20 CHED CCCC(=NN[C@@H](C)c1ccccc1)c1ccccn1 814815227 QRBTZERGAANNPW-AWEZNQCLSA-N 267.376 3.937 30 20 CHED CSc1ccc(C(C)=NOCC2CC2)cc1F 814242088 SLNBQUFIFZLMAE-UHFFFAOYSA-N 253.342 3.698 30 20 CHED C=CCC(F)(F)C(=O)NCC(C)(C)c1ccc(C)cc1C 816981954 IPAIVQZCWOXDAG-UHFFFAOYSA-N 295.373 3.909 30 20 CHED Cc1sccc1C=NNc1cccc(F)c1[N+](=O)[O-] 814918695 BGXWBLZNYQMKPE-UHFFFAOYSA-N 279.296 3.550 30 20 CHED Cc1c(NN=C2CCc3ccccc3C2)cccc1[N+](=O)[O-] 727973548 QBQWJQWTMXCAFJ-UHFFFAOYSA-N 295.342 3.860 30 20 CHED C=CCCCC[C@H](C)N[C@@H](CC)C1CCOCC1 578089186 CQQCFPRUOBPUQF-HOCLYGCPSA-N 253.430 3.916 30 20 CHED CC(=NN[C@H](CO)c1ccccc1)c1cccc(C2CC2)c1 814920002 WXTXRLLIYKOVKE-LJQANCHMSA-N 294.398 3.611 30 20 CHED C[C@H]1CCN(c2ccc3cc(C#N)ccc3n2)CC1(F)F 570880192 OHIBYGBQUQZUBG-NSHDSACASA-N 287.313 3.588 30 20 CHED Cc1ccccc1C[C@@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 571731450 PZGIDGKIQVWAEL-BEFAXECRSA-N 296.414 3.516 30 20 CHED Cc1ccnc(Nc2cnn(CC(C)C)c2C2CC2)c1C#N 577415194 OYFJCUSAPRCGJO-UHFFFAOYSA-N 295.390 3.735 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cncc(Cl)c1C 820910528 NHQSHNJXFZFUJK-SNVBAGLBSA-N 252.745 3.584 30 20 CHED Cc1cccc(C)c1OCCN1CCC(CCC#N)CC1 579105765 HYNCDVXAKPXHPQ-UHFFFAOYSA-N 286.419 3.698 30 20 CHED CCCCCCC[C@H](C)NC1CCN([C@H]2CCOC2)CC1 827549331 HXAAEEGAWWLCFW-WMZOPIPTSA-N 296.499 3.578 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(Br)cnc1C 821505421 FQBVHDLATGMHDZ-SNVBAGLBSA-N 297.196 3.693 30 20 CHED CCO/C=C/C(=O)Nc1ccccc1S[C@H](C)CC#N 493085335 OYIXATQXNSSJMY-LMMOQWNQSA-N 290.388 3.570 30 20 CHED C=C(C)CNC(=O)c1coc2ccc(C(C)C)cc12 576260056 SRRKKLGGOXPXIW-UHFFFAOYSA-N 257.333 3.862 30 20 CHED CC(C)C#CC(=O)N(C)C1c2ccccc2-c2ccccc21 829599198 GZDKAOLFAQYZTM-UHFFFAOYSA-N 289.378 3.874 30 20 CHED C=CCC(CC=C)c1nc(-c2cccc(C(=O)O)c2)no1 825664947 QVVOWYMAIOGHON-UHFFFAOYSA-N 284.315 3.671 30 20 CHED Cc1csc(Nc2cccc(NC(=O)C#CC(C)C)c2)n1 823272741 DLUQCWDGYOSZKM-UHFFFAOYSA-N 299.399 3.793 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H](C)C2CCC2)cc1 584121231 FWHBRFLBYYGEJA-GUYCJALGSA-N 284.403 3.708 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(Br)cc2)no1 904714485 ZJIYPLRKLPHTDD-UHFFFAOYSA-N 293.164 3.963 30 20 CHED CC(C)(C#N)CCCSCc1ccc(C(=O)O)cc1 826071976 QQNPRWFPUIVXSE-UHFFFAOYSA-N 277.389 3.948 30 20 CHED CCCCCCCOC(=O)Cc1cn2cccc(C)c2n1 732355608 FVJDDQJIJABCCD-UHFFFAOYSA-N 288.391 3.699 30 20 CHED CC[C@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@@H](CC)O1 583805515 UWSCWEFVTNMLJC-IYBDPMFKSA-N 295.386 3.500 30 20 CHED C[C@H]1CCCN1c1c(C#N)cnc2c(Cl)cccc12 582483403 HDGYOTLJUFOQHQ-JTQLQIEISA-N 271.751 3.749 30 20 CHED CS[C@H]1CCCC(=NOCCC(F)(F)F)C1 901222725 RBDBDWJFFOCXHT-VIFPVBQESA-N 255.305 3.617 30 20 CHED CC(C)(C)[C@@H](NC(=O)CCCCCC#N)C(F)(F)F 588934396 ZUKKLYOTUBBAPI-LLVKDONJSA-N 278.318 3.554 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)c1ccsc1 739154739 DHISFNKTGLSHNY-PWSUYJOCSA-N 296.351 3.869 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C/C1CCOCC1 492743974 YSSCWOWQZRJWIM-CMDGGOBGSA-N 299.414 3.574 30 20 CHED CC(C)(C)n1cnnc1SCCCCC1(C#N)CCC1 901484892 YTYHXGKDLINGOY-UHFFFAOYSA-N 292.452 3.989 30 20 CHED C=CC[C@H](NC(=O)N[C@H](CC)CCC)c1ccncc1 734664536 GNPVVOHDZIXZIE-CABCVRRESA-N 275.396 3.577 30 20 CHED Cc1ccc(C)c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 839042663 IDOAVESELHLGEL-ZIAGYGMSSA-N 257.333 3.543 30 20 CHED C[C@H](c1ccc(C(=O)OC(C)(C)C#N)cc1)C(F)(F)F 835222049 AJKDIBPAYDXEAJ-SECBINFHSA-N 285.265 3.811 30 20 CHED C#CCOc1cccc(NC(=O)C[C@@H](CC)C(C)C)c1 730978043 SAQOSIXMHQBZHU-CQSZACIVSA-N 273.376 3.709 30 20 CHED CC(C)C[C@H](C)OC(=O)N[C@H]1CCc2cc(C#N)ccc21 831307558 CNXROLFBTLBTDD-LRDDRELGSA-N 286.375 3.706 30 20 CHED CCCOC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 738749917 TZUVWWQMLHDGOU-UHFFFAOYSA-N 280.327 3.869 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](CF)C1 909271059 VRWUWVKZHHSDGC-KGLIPLIRSA-N 294.418 3.554 30 20 CHED CCN(Cc1ccccc1C)C(=O)CCCCCC#N 588278887 RKXIJOCZFXBSFD-UHFFFAOYSA-N 272.392 3.818 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[Si](C)(C)C 731211405 JJJBORXGCMLDFN-UHFFFAOYSA-N 260.457 3.648 30 20 CHED C[C@@H]1c2c(sc(NC(=O)C(C)(C)F)c2C#N)CC[C@H]1C 839390055 CHYIXZVTHHCGTF-BDAKNGLRSA-N 294.395 3.992 30 20 CHED C=CC1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 732206093 OVRSCSBSWHVSGK-OAHLLOKOSA-N 299.336 3.637 30 20 CHED N#CC1(CCCCSc2nccn3ccnc23)CCC1 901534772 LDHCQSSFAWKLNR-UHFFFAOYSA-N 286.404 3.686 30 20 CHED O=C1/C(=C2/COc3ccc(F)cc32)Cc2cc(F)ccc21 734305101 IETVKYCZCMAMOS-PFONDFGASA-N 284.261 3.550 30 20 CHED C#CCC[C@@H](C)OC(=O)/C(C)=C\c1ccc(OC)c(F)c1 839042310 JWQKORGNQLOKOC-KXXVWKPMSA-N 290.334 3.583 30 20 CHED CC[C@@H](NCC1(CCO)CCCC1)c1cccc(C#N)c1 902827378 KDRQLERWDWFWQB-QGZVFWFLSA-N 286.419 3.542 30 20 CHED CCc1ccc(C(C)=NNCc2ccc(OC)cc2)s1 917547671 XZILWLANNJTZDW-UHFFFAOYSA-N 288.416 3.833 30 20 CHED C[C@@]1(C(=O)Nc2cccc(CC#N)c2)CCc2ccccc21 592637682 BFPZADBGFLSBIY-LJQANCHMSA-N 290.366 3.595 30 20 CHED C#CCC[C@@H](C)OC(=O)C1CCC(C(F)(F)F)CC1 839039310 PWWXDAYCTKMMNV-VOMCLLRMSA-N 276.298 3.700 30 20 CHED C=C(C)CNc1cccc(CC(=O)OC(C)(C)C)c1 742265156 DWCMALXUMQJYHJ-UHFFFAOYSA-N 261.365 3.559 30 20 CHED O=C1/C(=C\c2nccc3ccccc23)Oc2cc(O)ccc21 740764998 MXFPXHCPDQCDFZ-LICLKQGHSA-N 289.290 3.557 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)CCCCC(C)C)n1 598857021 MARBANFTBCZSCF-UHFFFAOYSA-N 273.380 3.725 30 20 CHED N#CCOc1cccc(OCCCCC2CCOCC2)c1 842110474 ONZDVDOINDMWHQ-UHFFFAOYSA-N 289.375 3.565 30 20 CHED CC(=NNc1cccc(C)c1)c1nc2ccccc2n1C 744555687 ANIBGRAVTPPKLH-UHFFFAOYSA-N 278.359 3.718 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)c1ccc(Cl)cc1 44385597 LWMDCQDTTOXRJC-LBPRGKRZSA-N 290.794 3.991 30 20 CHED C[C@@H](C#N)N(C(=O)c1cc2c(s1)CCCCC2)C1CC1 598126746 INVUPGQIRJYIKN-NSHDSACASA-N 288.416 3.534 30 20 CHED C=C(C)CNC(=S)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 741872344 KAQXQOIDAGWSBG-IUODEOHRSA-N 292.423 3.659 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 592607336 MFDVVFVJJGKNSW-WOSRLPQWSA-N 264.413 3.503 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 748682950 IUPAJLVHQBMXLU-PXAZEXFGSA-N 293.322 3.912 30 20 CHED Cc1ccccc1C[C@@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O 917556875 QDHVQRGDUQBWHQ-VBEHJTROSA-N 298.342 3.659 30 20 CHED CCCCO[C@@H]1C[C@@H](/N=C/c2cccc(O)c2O)C1(C)C 749007062 AIWQFHCSBCQUFS-GECXBNKPSA-N 291.391 3.501 30 20 CHED CC(C)(C)OCCC/N=C\c1cc(Cl)ccc1O 849171815 GONVYRYEZLJUID-YBEGLDIGSA-N 269.772 3.670 30 20 CHED CC(C)c1ccc(C=NOC[C@H]2C[C@H]3CC[C@H]2O3)cc1 842018015 LPDNPYYMQFBZIC-BRWVUGGUSA-N 273.376 3.728 30 20 CHED CC(C)c1cnc(CSCC2(C#N)CCC2)o1 842193411 LSOMZVQMCWEGGS-UHFFFAOYSA-N 250.367 3.725 30 20 CHED C[C@@H]1CCCCCC1=NNc1ncc(Br)cn1 848420058 NYFXOZSRRUQTAX-SECBINFHSA-N 297.200 3.607 30 20 CHED C[C@@H](NC1CC2(CCC2)C1)c1ccc(C#N)cc1F 590959767 DLMMPJKSFNRTEA-LLVKDONJSA-N 258.340 3.681 30 20 CHED N#Cc1cn(CC2=CCCC2)c2ccc(Cl)cc2c1=O 592345218 XIXJUURSUOHDKH-UHFFFAOYSA-N 284.746 3.637 30 20 CHED CCOc1ccc(N(C)Cc2cc(C#N)ccc2OC)cc1 747527279 YQSAVDLTGKFIMG-UHFFFAOYSA-N 296.370 3.602 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ncccc2Cl)o1 917546479 NVMIVWGNMAKHAF-KOLCDFICSA-N 275.739 3.897 30 20 CHED C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)Cc2ccccc21 912728615 YGCUSPYMWHJMCV-GFCCVEGCSA-N 293.326 3.590 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCc1cccc(F)n1 747848461 UNMXSRHBZZZQPN-UHFFFAOYSA-N 295.239 3.723 30 20 CHED CC[C@@H](C#N)OC(=O)CCc1c(Cl)cccc1Cl 847657481 RHZUVJBKYRORED-VIFPVBQESA-N 286.158 3.771 30 20 CHED CC[C@@H](CC#N)NCc1csc(C2CCCCC2)n1 594009465 QWMVODJKMZTCOD-ZDUSSCGKSA-N 277.437 3.973 30 20 CHED CCCC(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 845436540 DGZUHTQPYKVLFL-LBPRGKRZSA-N 283.375 3.576 30 20 CHED C=CCn1c(-c2ccccc2F)nnc1N(C)[C@H](C)CC 685542583 IXDMGUUFLYDZRP-GFCCVEGCSA-N 288.370 3.505 30 20 CHED CC(CCCCC#N)=NNc1ccc([N+](=O)[O-])cc1C 841638484 UKLMRTVIXQMGCL-UHFFFAOYSA-N 274.324 3.775 30 20 CHED Cc1cc(C)cc(C=NNc2oc(C(C)C)nc2C#N)c1 745613963 TXKGWNMYFUAZSM-UHFFFAOYSA-N 282.347 3.733 30 20 CHED CC(C)(C#N)CC(=O)NCc1ccc(Cl)c(Cl)c1 598208529 HWFIHZLXULCNEB-UHFFFAOYSA-N 285.174 3.549 30 20 CHED N#Cc1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)cc1 592442049 HIQVFXNUJODJBV-AWEZNQCLSA-N 297.329 3.780 30 20 CHED Cc1ccccc1-c1nnc(S)n1N=CC1CCCC1 741836819 DZYAZBNUWGMZRL-UHFFFAOYSA-N 286.404 3.566 30 20 CHED CN(CCCCC1(C#N)CCC1)Cc1ccc(C#N)cc1 929164654 OIFMMGHOVCDHHC-UHFFFAOYSA-N 281.403 3.854 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCc2sccc2[C@@H]1C 929464958 RSDGEFJKRKIISI-LBPRGKRZSA-N 296.395 3.688 30 20 CHED CCn1cc(/C=C2/CCc3ccc(SC)cc3C2=O)cn1 843274348 XDNVSNOUAQITBQ-ZSOIEALJSA-N 298.411 3.837 30 20 CHED C=CCC[C@H](OC(=O)c1cccc(SC)n1)C1CC1 842739659 AYDZFWVXRIJSHT-ZDUSSCGKSA-N 277.389 3.705 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CC[C@H]1C 920044751 VUWPAYYXVYWZHS-UONOGXRCSA-N 254.418 3.787 30 20 CHED C#C[C@@H](CC)NC(=O)c1cc2c(Cl)cccc2s1 754373497 OAODMTIHCZEPND-VIFPVBQESA-N 277.776 3.696 30 20 CHED O=C(CCC1CC1)OCC#Cc1ccc(C(F)(F)F)cc1 750891428 RJHMYCSOAXFGMG-UHFFFAOYSA-N 296.288 3.790 30 20 CHED C=CCCCC(=O)N(C)c1ccc(F)cc1Cl 857645486 LFVRHMZLSRTRMP-UHFFFAOYSA-N 255.720 3.798 30 20 CHED CCCCCC(C)(C)C(=O)N1CCC[C@@](C)(C#N)C1 753155325 PDXVNZCMIBCIIV-INIZCTEOSA-N 264.413 3.745 30 20 CHED C#CC(C)(C)NC(=O)Nc1c(CC)ccc(Cl)c1CC 753945243 YDEFXUMKETXQML-UHFFFAOYSA-N 292.810 3.998 30 20 CHED O=C1/C(=C/c2ccc(O)c(F)c2)Cc2c(F)cc(F)cc21 755598310 HQGUUMRYKVNWPJ-YCRREMRBSA-N 290.240 3.632 30 20 CHED CCN(CC)c1ccnc(NN=C(C)CC2CCCC2)n1 752731862 AKPWRLLCIRDTQE-UHFFFAOYSA-N 289.427 3.691 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H]2CC=CCC2)c1O 920991615 YDNKHWAVVZQSDW-XBTXGSBDSA-N 294.738 3.729 30 20 CHED C=CC[C@H]1CCCCC1=NNc1nc(O)c2ccccc2n1 853316736 ANEWHBZDQAJMRT-LBPRGKRZSA-N 296.374 3.870 30 20 CHED CC(C)c1cnc(Sc2snc(Cl)c2C#N)[nH]1 858727690 PETRARBLJPPZGZ-UHFFFAOYSA-N 284.797 3.666 30 20 CHED C=C(C)CCOC(=O)c1ccc(OC)c(-c2ccccn2)c1 755085677 WCQNJKWRWFVZRF-UHFFFAOYSA-N 297.354 3.880 30 20 CHED C#C[C@@H](CC)NC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 753273191 NQAAJBGBMBFJRE-ZDUSSCGKSA-N 299.201 3.547 30 20 CHED CC[C@H](C)C=NNc1ncnc2sc(C)c(C)c12 755520352 CQRZAPHJCOEWNI-QMMMGPOBSA-N 262.382 3.752 30 20 CHED C[C@@H]1CC/C(=C/C(=O)N[C@@](C)(C#N)C2CCCCC2)C1 753617218 JRERNCIVOAMQBI-KAOCYUFCSA-N 274.408 3.712 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)s1 755585248 QSAHOCJZUGKICV-UPHRSURJSA-N 294.278 3.621 30 20 CHED CCCCC[C@H](NC[C@@H](O)CC(C)(C)C#N)C(C)(C)C 856733941 JVCWYXAFEFXVMX-GJZGRUSLSA-N 282.472 3.872 30 20 CHED C=CCn1cc(CN[C@@H](C)c2csc3ccccc23)nn1 926615415 PTJRXELOMYFUAC-LBPRGKRZSA-N 298.415 3.530 30 20 CHED C=C(Cl)CN[C@H](c1ccc(F)cc1)c1cccnc1 753680951 YSYKHQDFLZGCJV-OAHLLOKOSA-N 276.742 3.652 30 20 CHED Cc1cc(OC(=O)CC[C@@H]2CC2(Cl)Cl)ccc1C#N 857613302 RRJRHQFORMUBQS-LLVKDONJSA-N 298.169 3.746 30 20 CHED Cc1c(C(=O)N[C@@H]2C=CCC2)sc2ccc(C#N)cc12 855433166 QASKWUHJYOJNEV-GFCCVEGCSA-N 282.368 3.530 30 20 CHED C=CCCCC[C@H](C)NCc1cc(C2CC2)n(C)n1 927108633 RVJUJLGEXSDKHK-ZDUSSCGKSA-N 261.413 3.522 30 20 CHED Cc1ncc(C=NNc2ccc(F)cc2)n1-c1ccccc1 755472331 QJZXQONOLQALHO-UHFFFAOYSA-N 294.333 3.766 30 20 CHED C/C(=C/C(=O)OCCC(C)(C)C#N)c1cccs1 856980075 DHPIGYCSMFZQRT-LUAWRHEFSA-N 263.362 3.634 30 20 CHED C#CCCCCCC(=O)NCc1cc(C)cc(C)c1 855614432 JCPFDISHBVCOCU-UHFFFAOYSA-N 257.377 3.503 30 20 CHED COc1ccc2cc(CN(C)CCCC#N)ccc2c1 50275045 LRNFGSLOYOPQNB-UHFFFAOYSA-N 268.360 3.584 30 20 CHED CC[C@H](COc1cccc(OCC#N)c1)CC(F)F 853720589 DHKFUHOBGCGFDG-NSHDSACASA-N 269.291 3.649 30 20 CHED C(=NO[C@@H]1CCCCO1)c1cc2ccccc2s1 755824283 PIZMGWZMYMBJBF-CQSZACIVSA-N 261.346 3.778 30 20 CHED C#CCSCCNc1nc(-c2ccccc2)cs1 756967064 NPSLAJGKYFPIJO-UHFFFAOYSA-N 274.414 3.588 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](C)CCC(C)(C)C 755140070 CATBXUAGDFUEIJ-LBPRGKRZSA-N 254.370 3.527 30 20 CHED C#CC[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccccc1 756776775 RFPMFFWXSHKKNO-GUYCJALGSA-N 283.346 3.947 30 20 CHED CCCC=NNc1nc(-c2ccc(Cl)cc2)no1 755723776 WQZVOUCZALVYPR-UHFFFAOYSA-N 264.716 3.588 30 20 CHED C#C[C@H](OC(=O)c1sc(C)nc1C)c1ccc(C)cc1 860966557 XGAKSPCNLORZKT-AWEZNQCLSA-N 285.368 3.600 30 20 CHED O=C1/C(=C\c2cc(F)c(F)cc2F)COc2ccccc21 767718732 VHFGUUAOYDNMQR-YHYXMXQVSA-N 290.240 3.763 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(C(C)(C)C)n[nH]1 768595025 MVUHCUYDOOESMC-UHFFFAOYSA-N 291.395 3.584 30 20 CHED N#Cc1cccc(NN=Cc2ccccc2OC(F)F)c1 767335940 JLJXSOBCWZMAFV-UHFFFAOYSA-N 287.269 3.606 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(-c2nnc(C)o2)cc1 933239950 LIFASURNKSGCHS-GFCCVEGCSA-N 285.347 3.586 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc2c(c1)-c1ccccc1C2 762721633 BRASPYUIVVLFCZ-INIZCTEOSA-N 290.366 3.680 30 20 CHED C#CCCNc1ccccc1C(=O)N[C@H](C)c1ccccc1 760290426 PHLTVVVBDHFXBL-OAHLLOKOSA-N 292.382 3.613 30 20 CHED Brc1cc(NN=C2CC3(CCC3)C2)ccn1 769813707 MNQMCFMPJLOWKW-UHFFFAOYSA-N 280.169 3.576 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNCCc2ccccc2F)o1 764724291 VGJDAPFAVUVJCN-IUODEOHRSA-N 286.350 3.708 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(C)ccc1C 860196238 RFRCTMQHIPPFMX-UHFFFAOYSA-N 259.349 3.677 30 20 CHED CC(C)c1ccc(C=NOCC(F)(F)F)cc1[N+](=O)[O-] 764844057 FQEAVIXZRSPASI-UHFFFAOYSA-N 290.241 3.631 30 20 CHED C=CCCCc1nc([C@H](C)c2cccc(OC)c2)no1 761825922 VFJBLEXKEUAOQJ-GFCCVEGCSA-N 272.348 3.739 30 20 CHED C=CC[C@H](N[C@H](C)c1cncc(C)c1)c1ccncc1 768223171 KAPOAMVQNAEHAH-PBHICJAKSA-N 267.376 3.753 30 20 CHED C=CC[C@@H](NC(=O)N(CC)CCC1CC1)c1ccncc1 760992668 BEBFRROSOPEDJA-MRXNPFEDSA-N 287.407 3.530 30 20 CHED C[C@@H](C=NNc1ccc(C(C)(C)C)nn1)C(C)(C)C 1116935971 SWHOIOCEVDIAGS-NSHDSACASA-N 262.401 3.854 30 20 CHED Cc1cccc2cc(C(=O)OCC(C)(C)CC#N)oc12 764842891 KDXVIZPOOIYAOY-UHFFFAOYSA-N 271.316 3.838 30 20 CHED CC#CCCOC(=O)CCCc1cc(C)sc1C 760287377 JCKXJRYBNXODEF-UHFFFAOYSA-N 264.390 3.644 30 20 CHED CC1(C)CCCN(Cc2cc(Cl)nc(Cl)c2)[C@H]1C#N 769894088 SXTNOMPKBQVPNP-NSHDSACASA-N 298.217 3.903 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)c2ccccc2n1 1116888644 LTIMDNVOMTUOML-KBXCAEBGSA-N 282.387 3.936 30 20 CHED C=C(C)CN(C)C(=O)NCC1CCCCCCC1 778624274 XFLGGNQSDIVDPF-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C#CC[C@@H](NC1CC(OC(C)(C)C)C1)c1ccccc1 779142259 QLXLSFOMOXOMCZ-OFLPRAFFSA-N 271.404 3.687 30 20 CHED C#CCCCCCCNc1ccccc1O[C@@H](C)C#N 877183599 HDXMQXNAHRMGTK-HNNXBMFYSA-N 270.376 3.973 30 20 CHED CCN(C)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 773809264 AMKKWTBDCONPNO-OAHLLOKOSA-N 293.414 3.865 30 20 CHED CC(C)N(C)c1ccc(NCc2cccc(C#N)n2)cc1F 876825764 RYZLOTVCTCVRFU-UHFFFAOYSA-N 298.365 3.549 30 20 CHED Cc1cc([C@H]2CCCN2Cc2ccc(C#N)c(C)c2)no1 774838166 BLKMCYZWNMTLBI-QGZVFWFLSA-N 281.359 3.500 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)OCCCCC#N 775923818 LGOJIONNFFEHSL-HNNXBMFYSA-N 273.376 3.882 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1cc2ccccc2o1 779812663 WTMHPXIUFKOPHV-UHFFFAOYSA-N 276.299 3.755 30 20 CHED Cc1ccc(C)c(CC(=O)OCc2ccc(CC#N)cc2)c1 776109081 WPFDAVFZMSJHJZ-UHFFFAOYSA-N 293.366 3.655 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1Cc1ccccc1 779771431 QPKLGEBIDASBKK-GOSISDBHSA-N 283.415 3.804 30 20 CHED CCCC(=CC(=O)Nc1ccc(C#N)c(C#N)c1)CCC 770736002 FAHJVNXDBNZGEZ-UHFFFAOYSA-N 281.359 3.895 30 20 CHED C=C1CCC(C(=O)N(C)[C@@H](C)c2ccccc2)CC1 887738157 RALRGMBLBXGDTP-AWEZNQCLSA-N 257.377 3.952 30 20 CHED CC(=NNCc1ccc(Cl)cc1)C1CCSCC1 777442973 LPSKZRLRUYHFCW-UHFFFAOYSA-N 282.840 3.949 30 20 CHED CC(C)(C)OCc1ccccc1C(=O)OCCCCC#N 773703515 CAVPRKWCDWSQCO-UHFFFAOYSA-N 289.375 3.852 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1CNc2ccccc21 1122374349 NDXDPYVUYRMNQV-HUUCEWRRSA-N 284.403 3.543 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cc3cccc(Cl)c3o2)C1 1122720437 IJJZTGMCHLVLHB-GXSJLCMTSA-N 289.718 3.935 30 20 CHED CC1(C)C[C@@H](NN=C2C[C@@H]3CCCc4cccc2c43)CCO1 780251444 VHLUMKUQJSJAGQ-GJZGRUSLSA-N 298.430 3.762 30 20 CHED CC(C)=CCC[C@H](C)CC=NNCCc1ccccn1 789112044 AHEUEIKVEZUNPN-INIZCTEOSA-N 273.424 3.972 30 20 CHED CN(C)[C@H]1CCCC(=NNc2nc3ccccc3s2)C1 788409879 YPEDUYZIRBPHAM-LBPRGKRZSA-N 288.420 3.568 30 20 CHED C=C1CCC(C(=O)N[C@@H](CCC)c2ccccn2)CC1 888817450 TWMASFGVWNGAMB-INIZCTEOSA-N 272.392 3.785 30 20 CHED CCCCCCCOC(=O)[C@@H]1CC(=O)c2ccccc21 789296146 MZVXOXUKWZKUEZ-OAHLLOKOSA-N 274.360 3.870 30 20 CHED C[C@@H](NC(=O)c1csc(C#N)c1)C1CCCCCC1 1127860704 ZPOFVLPJWYWKOC-LLVKDONJSA-N 276.405 3.708 30 20 CHED N#Cc1ccc(NN=Cc2ccc(O)c(F)c2)cc1Cl 783876640 CQEYNININJAEIR-UHFFFAOYSA-N 289.697 3.502 30 20 CHED C=CCCCCCOC(=O)c1ccc(C)c(NC(C)=O)c1 782942933 VHQPSBVIPRPROE-UHFFFAOYSA-N 289.375 3.857 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H](C(C)C)C1)c1ccccc1 780571520 ZZAPCAFMRSMWCO-MSOLQXFVSA-N 298.430 3.829 30 20 CHED CCCCCCCCC(=O)N1CCO[C@](C)(CC)C1 785600566 GEBVMNLAIAXTRI-MRXNPFEDSA-N 269.429 3.765 30 20 CHED CCCCCc1ccc(Nc2nccnc2C#N)cc1 303134418 KYHCBMCARFWSNX-UHFFFAOYSA-N 266.348 3.825 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(Cl)s1 781582641 CLVINEQMWPEGED-UHFFFAOYSA-N 271.769 3.888 30 20 CHED C=CC1(OC(=O)[C@@H]2CCSc3ccccc32)CC1 893363086 RHZFJGAZTCTHQR-GFCCVEGCSA-N 260.358 3.528 30 20 CHED 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BEKVJXPPWGBRJK-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CC2(Cl)Cl)C(C)C)c1 102909374 YNITYEFPDMUFTL-ZDUSSCGKSA-N 296.197 3.603 30 20 CHED Cn1c([C@H](C#N)C(=O)C2CCCCCC2)nc2ccccc21 102115677 FQEXHKQBKIUJHE-CQSZACIVSA-N 295.386 3.720 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 57435335 HFTDWOQDOVFQFS-VMPITWQZSA-N 274.266 3.870 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H](C)c2c(C)noc2C)c1 113771458 KTWKQSMLYHWOLF-IYPWXLATSA-N 288.347 3.576 30 20 CHED C=CCCCOC(=O)C[C@H](C)c1ccccc1OC 117995269 CTMBZIJHXMIWIC-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED CCn1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cn1 111998117 AXHTZKKRBMRFLP-VOTSOKGWSA-N 294.276 3.818 30 20 CHED C=C(Br)CNC(=O)[C@H](CC)CC1CCCC1 114320621 KBQMUINNJMXARW-GFCCVEGCSA-N 288.229 3.618 30 20 CHED CC(C)CN(CCOc1cccc(C#N)c1)C1CCCC1 110364076 RHVQZMQPZKOTSO-UHFFFAOYSA-N 286.419 3.838 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2cccc(Cl)c2)CCC1 116857797 BTHGYZYGEMIFTH-LBPRGKRZSA-N 277.795 3.843 30 20 CHED CCCCCCCCC(=O)NC[C@@H](O)c1ccc(C)cc1 302981343 VIHJEYFOZZPIRL-QGZVFWFLSA-N 291.435 3.895 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)/C=C/c1ccco1 173041337 ZAYWBJVNQGSLRR-SOFGYWHQSA-N 295.342 3.625 30 20 CHED CC(C)(O)c1ccc(CNc2ccc(F)cc2C#N)cc1 302457320 UOEGRTCLCZEFLV-UHFFFAOYSA-N 284.334 3.537 30 20 CHED CCC1(CNCc2cccc(OCCCC#N)c2)CC1 175867174 ZTDWLCMWPMUXRQ-UHFFFAOYSA-N 272.392 3.649 30 20 CHED COc1ccc(Cl)cc1[C@H](C)NCCCCC#N 178648664 GYEYLBZZDYXQNA-NSHDSACASA-N 266.772 3.693 30 20 CHED C=C[C@@H](CC(=O)Nc1nc(C)ccc1OC)c1ccccc1 119173445 GSJWGKXCJOCZNW-AWEZNQCLSA-N 296.370 3.697 30 20 CHED C=CCCCN1CCC[C@H](c2nc3ccccc3o2)C1 117872829 LZASUJLYUUSRRQ-AWEZNQCLSA-N 270.376 3.973 30 20 CHED CC(C)Oc1cccc([C@@H](C)Nc2cccc(C#N)n2)c1 301268856 IVXUYZLCOQZJMY-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C=CC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 301269936 QRPPQROFIRRWEN-UHFFFAOYSA-N 266.728 3.651 30 20 CHED CN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CCc2ccccc21 29147837 GQHZVVVERCBJIM-KRWDZBQOSA-N 293.326 3.590 30 20 CHED C=CCCOC(=O)c1cc(Oc2ccccc2)ccn1 174293310 NTTBSITYEVXWGU-UHFFFAOYSA-N 269.300 3.607 30 20 CHED C=CCCC(=O)Nc1ccc2[nH]c(CCCC)nc2c1 60365101 NZDOLGVEEMYLJW-UHFFFAOYSA-N 271.364 3.810 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)c1c(F)cc(C#N)cc1F 308729128 PTJCLFDBXSJHCB-MGPLVRAMSA-N 292.329 3.535 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2csc(-c3ccccc3)n2)C1 178790295 GPWDSTPNLCLYMO-WCQYABFASA-N 298.367 3.659 30 20 CHED N#Cc1ccc(Oc2ccc([N+](=O)[O-])c3cccnc23)cc1 301089034 RFFCEITWCRJMMA-UHFFFAOYSA-N 291.266 3.807 30 20 CHED CCN(C(=O)C1=CCCC1)[C@@H](C)c1ccc(C#N)cc1 177834493 OUQKIHLESGRPOY-ZDUSSCGKSA-N 268.360 3.578 30 20 CHED CCC(=CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CC 177579234 IJKHRFCIYLGPRZ-UHFFFAOYSA-N 282.387 3.796 30 20 CHED C#CCCSc1nnc(-c2ccc(Cl)cc2)n1CC 179249398 IMRGUNSLELZYAM-UHFFFAOYSA-N 291.807 3.734 30 20 CHED Cc1nc(CCNc2c(Cl)cccc2C#N)cs1 301365671 QCXWRUBLEOHKSV-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C#CCCCNC(=O)Nc1ccc(SC(F)F)cc1 174108027 IEEUSZZAIDIAMU-UHFFFAOYSA-N 284.331 3.536 30 20 CHED C=C[C@@H](CC(=O)N1CCCCCC1)c1ccccc1 121350430 STMYVFPIKIHTCD-HNNXBMFYSA-N 257.377 3.749 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCc3ccsc3C2)cc1 127057789 AZQZWJVQPVPMDH-CYBMUJFWSA-N 298.411 3.597 30 20 CHED CC[C@@H](C#N)Sc1nnc(CCC2CCCCC2)o1 127631013 IVFAQUKNUVEASO-LBPRGKRZSA-N 279.409 3.977 30 20 CHED CCC[C@@H]1CN(CCCCC#N)CCN1Cc1ccccc1 180280347 BFLVKSJKMSNDJK-LJQANCHMSA-N 299.462 3.667 30 20 CHED C#Cc1cccc(NCc2ccc3c(c2)COC(C)(C)O3)c1 188068258 JSSIOKBPGWJKTE-UHFFFAOYSA-N 293.366 3.925 30 20 CHED COc1ccccc1Sc1cccc(F)c1C#N 39172128 VQNDYWGIRRQSLE-UHFFFAOYSA-N 259.305 3.857 30 20 CHED CC(C)c1cnc(NCc2ccc(C#N)cc2)s1 182391570 XKSDMGSMPHXAMD-UHFFFAOYSA-N 257.362 3.750 30 20 CHED N#Cc1ccc(F)cc1Cn1cc(-c2ccccc2)cn1 122426362 UKLFATRIWZCQEM-UHFFFAOYSA-N 277.302 3.609 30 20 CHED CN(CC1(CC#N)CC1)[C@@H]1CCCc2ccccc21 602756768 PJSWEZYWZZYHOW-MRXNPFEDSA-N 254.377 3.690 30 20 CHED C=CCC(CC=C)c1nc(Cc2ccc(OC)cc2)no1 124524931 JNQHRMXTERTRMZ-UHFFFAOYSA-N 284.359 3.905 30 20 CHED C=C[C@H](CC(=O)Nc1ccccc1OC)c1ccccc1 121543108 YDKUKKWUDJGBQU-CQSZACIVSA-N 281.355 3.994 30 20 CHED N#CC1(CC[S@@](=O)c2cc(F)ccc2F)CCCCC1 414227613 CSWVRLKQQKBGMR-HXUWFJFHSA-N 297.370 3.937 30 20 CHED N#Cc1ccnc(Sc2ccc(F)cc2)c1Cl 236161530 GGVATDXZBPUCFD-UHFFFAOYSA-N 264.712 3.897 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 122884785 PPSSOYWTPZGCTR-IRXDYDNUSA-N 299.418 3.668 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2scnc2C2CCCC2)C1 185312896 CCGIAZXIFYFCOR-ZYHUDNBSSA-N 290.388 3.650 30 20 CHED Cc1cccc(CCNCc2ccc(C#N)c(C)c2)c1 443962117 MATRCZXJHPVCES-UHFFFAOYSA-N 264.372 3.507 30 20 CHED COc1ccc(CNCC2(C#N)CCC2)c2ccccc12 418139121 HMGDEASLJJIWRE-UHFFFAOYSA-N 280.371 3.632 30 20 CHED Cc1oc2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2c1C 185424779 HXTCYTGWFPPIQK-UHFFFAOYSA-N 279.299 3.502 30 20 CHED N#Cc1nnc2ccccc2c1Sc1ccccc1 77210324 ZGBMPGRLXGUKPP-UHFFFAOYSA-N 263.325 3.653 30 20 CHED Cc1[nH]c2ccc(C(=O)N(CCC#N)C(C)C)cc2c1C 36164114 KBWONAZWQJMRHQ-UHFFFAOYSA-N 283.375 3.549 30 20 CHED N#Cc1ccc(F)cc1CSCCOCC(F)(F)F 184667428 FRZPMLJACPFGSG-UHFFFAOYSA-N 293.285 3.509 30 20 CHED N#CCN(C(=O)CCC1CCCCC1)c1ccccc1 72680033 SCWADEIABKBCJR-UHFFFAOYSA-N 270.376 3.904 30 20 CHED CC#CCCCC(=O)N(CC(F)(F)F)c1ccccc1 185712787 XVRZWPQYMNIGQG-UHFFFAOYSA-N 283.293 3.776 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CCCc1cccs1 502452453 WTYZGCUPMWRITR-HNNXBMFYSA-N 278.421 3.515 30 20 CHED CC(C)Oc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 189581664 XFUCSUXUJPWCCA-AWEZNQCLSA-N 297.402 3.535 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2CC)c1 48476339 SRBPSOFGSXESBA-HOCLYGCPSA-N 270.376 3.758 30 20 CHED Cc1ccccc1NC(=O)N(C)Cc1ccc(C#N)cc1 43135012 WFDWIDGCBJIDPM-UHFFFAOYSA-N 279.343 3.531 30 20 CHED CC[C@H](NCc1ccc(C#N)c(F)c1)c1nc(C)cs1 192176994 UDPLFRGBKLARSM-AWEZNQCLSA-N 289.379 3.703 30 20 CHED CCC[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 194717035 DFDLGMSBLXXDPX-GOSISDBHSA-N 292.382 3.758 30 20 CHED CC(C)C[C@H]1CCN(c2nc(Cl)c(C#N)s2)C1 288228653 FCPLLEYITTWVEK-SECBINFHSA-N 269.801 3.541 30 20 CHED C#CCCCC(=O)OCc1ccc(SC(F)F)cc1 192181612 PXOIDMSAQWPKCG-UHFFFAOYSA-N 284.327 3.848 30 20 CHED Cc1nn(-c2ccccc2)cc1CNc1cccc(C#N)c1 132887809 RXOITLUVFHGYGQ-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=C(C)CNC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 425507722 HTPVZXRWJNBVME-OAHLLOKOSA-N 272.392 3.745 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 425278807 ZPYRBCQKLBQJQN-DTWKUNHWSA-N 299.252 3.718 30 20 CHED C#Cc1cccc(NC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)c1 83544133 LSBDPDOOSVWNED-KMFMINBZSA-N 282.387 3.853 30 20 CHED N#CCC[C@@H](NCc1cccc(C#N)c1)c1ccccc1 130392827 JNOIMYMHAQZJLL-GOSISDBHSA-N 275.355 3.693 30 20 CHED C=CCCCC(=O)N[C@H](C)CCCC(F)(F)F 427736953 PABWVWRBANCRPS-SNVBAGLBSA-N 251.292 3.580 30 20 CHED C=CCC[C@@H](NC(=O)c1c[nH]nc1C1CC1)c1ccccc1 190776678 OXWHXWFVVBPKMF-MRXNPFEDSA-N 295.386 3.724 30 20 CHED N#Cc1ccc(OCCOc2ccccc2C#N)cc1Cl 190248138 OJOVQPFNOQHIKT-UHFFFAOYSA-N 298.729 3.541 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(C#N)c(Cl)c1 135309604 RTXRDAZZRHGNSV-NXEZZACHSA-N 277.755 3.616 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 516837014 NJOKRVURJXWJPW-FMKPAKJESA-N 299.418 3.745 30 20 CHED Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(C#N)cc1 88464947 LQACGOAEXYKPEE-UHFFFAOYSA-N 294.354 3.948 30 20 CHED Clc1ccccc1C#CCN1CC[C@@H]2CCC[C@@H]21 426462057 RWPMKPCCJCTXCO-HOCLYGCPSA-N 259.780 3.566 30 20 CHED COc1cc(SC)ccc1NC(=O)c1ccc(C#N)cc1 192704124 FDHZIIOTXLQJBP-UHFFFAOYSA-N 298.367 3.541 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)Cc2ccc(Cl)s2)C1 193812662 DFGHRGJEUSTYPF-HZMBPMFUSA-N 296.823 3.533 30 20 CHED CC(C)N(C)c1ccc(/C=C2/Cc3ccccc3C2=O)cn1 191209619 JENMOSFZWORSDX-YBEGLDIGSA-N 292.382 3.749 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1(C)CCC1 427752129 AKKSWZHVEXKKLP-UHFFFAOYSA-N 284.403 3.733 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(F)c1C 335881323 WYDOOERGJXMBQX-GFCCVEGCSA-N 262.328 3.707 30 20 CHED CC(C)C[C@H]1CCCCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 425854464 XQCDXTIYGQWMOX-ARFHVFGLSA-N 291.439 3.679 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(Br)ccc1O 424746267 DSBWQRMIGZUFQF-UHFFFAOYSA-N 298.180 3.696 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1F 195501872 KUXFEVUVFUOZBD-JXMROGBWSA-N 274.266 3.870 30 20 CHED N#Cc1ccnc(NCc2ccc(Cl)s2)c1Cl 236039872 NWPMUJLBPZWINQ-UHFFFAOYSA-N 284.171 3.934 30 20 CHED N#CCC[C@@H](NC1CCSCC1)c1ccccc1 90665531 GFRDFUPSVGSBMP-OAHLLOKOSA-N 260.406 3.517 30 20 CHED C=C(C)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 427955280 AMDBMPFURHNOCX-UHFFFAOYSA-N 277.795 3.844 30 20 CHED COc1ccc(C)cc1[C@H](C)/N=C(/O)N[C@@H]1CCC[C@@H]1C 330373903 LZLWRTXFNYTOBD-KCQAQPDRSA-N 290.407 3.757 30 20 CHED N#CCc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 332642190 XFYZVQKWRXMZGV-CGTJXYLNSA-N 296.414 3.841 30 20 CHED N#CCCCOc1cccc(CNC[C@@H]2C[C@H]3CC[C@H]2C3)c1 338954317 NDPZXNBLWXDHIA-SZMVWBNQSA-N 298.430 3.895 30 20 CHED N#Cc1ccc(Sc2ccc(C(F)(F)F)nn2)c(F)c1 334460809 VBPVBTDAKGIMOJ-UHFFFAOYSA-N 299.252 3.657 30 20 CHED C=C1CCN(C(=O)c2cccc(Br)c2C)CC1 266350081 NLVXKHRZIVUFTG-UHFFFAOYSA-N 294.192 3.550 30 20 CHED Cc1nc(NC(=O)[C@]2(C#N)C[C@@H]2C)ccc1-c1ccccc1 336291771 LLTAEKHWCZHICQ-SGTLLEGYSA-N 291.354 3.545 30 20 CHED CC[C@@H](NCc1cc(C#N)cs1)c1ccccc1 93492577 FUVAKRAHPLUSME-OAHLLOKOSA-N 256.374 3.861 30 20 CHED Clc1cccc(C#CCN2[C@H]3CCC[C@H]2CC3)c1 438477918 VAXLPGKKMXVYAR-HOTGVXAUSA-N 259.780 3.708 30 20 CHED C[C@@H](C1CC1)N(Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 92009546 QBBISBATMWCQJN-KGLIPLIRSA-N 284.403 3.740 30 20 CHED COc1ccc(C)cc1CS[C@H]1CC[C@H](C#N)C1 439266701 RBNAJCZDDUCSFG-JSGCOSHPSA-N 261.390 3.929 30 20 CHED CC[C@@H](CNc1cnccc1C#N)Oc1ccccc1C 91734001 JEPZBZSBHAZDFF-HNNXBMFYSA-N 281.359 3.531 30 20 CHED CC(C)(CCC#N)CNCc1cccc(OCCCC#N)c1 342284919 IQHRCUKNSUPACA-UHFFFAOYSA-N 299.418 3.789 30 20 CHED C=C(CNC(=O)Nc1ncc(CC)s1)c1ccccc1 349444179 FLLKYJLWQBPUEO-UHFFFAOYSA-N 287.388 3.540 30 20 CHED C=CCCC(=O)NCC1(c2c(F)cccc2F)CCCC1 523278717 VLEYPVHNSUAFGN-UHFFFAOYSA-N 293.357 3.859 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(C)ccn1 343340045 FCPXMZRUCVBFFO-UHFFFAOYSA-N 284.407 3.750 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)C(C)(C)c1ccccc1 436305068 HMOOYJZUGXLKLC-BQFCYCMXSA-N 287.447 3.924 30 20 CHED C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)COCc1ccccc1 248948861 ZPSPRPIIWMYPGW-KBAYOESNSA-N 286.419 3.511 30 20 CHED C=CCC[C@H](N[C@@H]1CCCN(c2ccccc2)C1)C1CC1 439006233 SZMMGVYJOFYHDE-MJGOQNOKSA-N 284.447 3.990 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1ccc(F)cc1Cl 602609328 CFEJKGOIDZPYAA-MFKMUULPSA-N 268.763 3.692 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCC[C@H]1CC 436279372 ARLWOQCAVREXDM-WCVJEAGWSA-N 251.414 3.526 30 20 CHED CC#CCCSCc1cccnc1C(F)(F)F 600636544 HEANVZZVPUBBFB-UHFFFAOYSA-N 259.296 3.747 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)c(C)n2)n1 341177632 UTCSBKDIXXOGLL-JSGCOSHPSA-N 296.374 3.996 30 20 CHED C=CCN(CCCC(=O)CC)Cc1ccccc1F 347759859 SPPKVYXEDNNFJE-UHFFFAOYSA-N 263.356 3.573 30 20 CHED C=CCCCCN[C@@H]1CCCOc2ccc(F)cc21 349314304 QMRNLSUJEHQJKI-OAHLLOKOSA-N 263.356 3.985 30 20 CHED C=CCCC1(c2nc([C@H](C)C(=O)OC(C)(C)C)no2)CC1 347200787 QHZQQCNRHPVVMU-NSHDSACASA-N 292.379 3.513 30 20 CHED Cc1sccc1NC(=O)[C@@H](C#N)CCc1ccccc1 601822836 DJSTTZAAVHIBHX-CQSZACIVSA-N 284.384 3.768 30 20 CHED C[C@@H](CC#N)N[C@H]1CCCc2ccc(Br)cc21 602869492 OIKTZJDZJUYRGO-HZMBPMFUSA-N 293.208 3.718 30 20 CHED C[C@@H]1C[C@H](CC(=O)N(C)C2(C#N)CCC2)CC(C)(C)C1 608959307 MDABDOVKLHLAOG-ZIAGYGMSSA-N 276.424 3.744 30 20 CHED CCN(Cc1ccc(Cl)cc1)c1ncccc1C#N 346549208 PRZFDKKEKSGYCG-UHFFFAOYSA-N 271.751 3.633 30 20 CHED N#C[C@H]1CCC[C@@H](NC2(Cc3ccccc3)CCC2)C1 447589053 WUPRYPWMQPMEFI-DLBZAZTESA-N 268.404 3.824 30 20 CHED C=CCCN(C)CC1(c2ccc(Br)cc2)CC1 524991061 SCJNIDROSYNSLQ-UHFFFAOYSA-N 294.236 3.989 30 20 CHED CCN(C(=O)c1cocc1C)[C@H](C)c1ccc(C#N)cc1 528160331 POTOOTUCWHTGSL-CYBMUJFWSA-N 282.343 3.683 30 20 CHED COc1ccc(F)cc1N[C@H]1CCc2ccc(C#N)cc21 520385836 AXFZGZVOWZROQT-HNNXBMFYSA-N 282.318 3.805 30 20 CHED C[C@H](CCC#N)CNCCSCc1ccccc1F 602511132 SQVXGUQRAXUYRL-CYBMUJFWSA-N 280.412 3.588 30 20 CHED Cc1cc(CN(C)Cc2ccc(CC#N)cc2)ccc1F 444739884 AYWGALFUINGPKR-UHFFFAOYSA-N 282.362 3.832 30 20 CHED Cc1cc(C(=O)N(C)CC(C)(C)C#N)c(C)cc1Cl 353180147 DZZBFLBEAHZCOH-UHFFFAOYSA-N 278.783 3.579 30 20 CHED COc1cc(C)ccc1CNc1cc(F)cc(C#N)c1 600859638 CHHSCZYGGAWVEI-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(F)cc2)c1 355388304 ALLYFOPHYYYPMR-UHFFFAOYSA-N 295.317 3.524 30 20 CHED N#CCC1(CN(Cc2ccco2)Cc2ccco2)CC1 602758621 MMPGNIDWLGQNII-UHFFFAOYSA-N 270.332 3.569 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1ccc2ccccc2c1 449548343 MNWGJVXJYQRJHE-MSOLQXFVSA-N 267.372 3.663 30 20 CHED C[C@H](CCCC(F)(F)F)NC(=O)c1ccccc1CC#N 601529007 UXMNDULIGOZIGP-LLVKDONJSA-N 298.308 3.604 30 20 CHED COc1ccc(C#N)cc1CN(Cc1ccco1)C(C)C 533001211 VNAYDAWPECZGBJ-UHFFFAOYSA-N 284.359 3.570 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCC[C@H](C)c1ccccc1 449548980 SREYROVLADUEEB-UAGQMJEPSA-N 259.393 3.503 30 20 CHED C=CCCSCc1nc(-c2ccc(F)c(F)c2)no1 532260720 MFCMFYJFIGEKFN-UHFFFAOYSA-N 282.315 3.824 30 20 CHED CC(C)(C)OC(=O)CCSCC#Cc1ccc(F)cc1 440586657 DNPILPQFDPXWJY-UHFFFAOYSA-N 294.391 3.642 30 20 CHED CCC(CC)n1ccc(C(=O)Nc2cc(C#N)ccc2C)n1 269266938 KFMCUZOPJNLUPB-UHFFFAOYSA-N 296.374 3.677 30 20 CHED C=CCC[C@@H](NC(=O)Cc1ccc(C)o1)c1ccccc1 533588262 SCULOQXMOJNAFE-QGZVFWFLSA-N 283.371 3.954 30 20 CHED C=CCC1(NC(=O)Cc2cc(F)c(F)cc2F)CCCC1 619108344 STBPUNQQRDQQBB-UHFFFAOYSA-N 297.320 3.652 30 20 CHED C=CCCNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 617614885 RORNWKLKOYHWAW-LLVKDONJSA-N 285.309 3.891 30 20 CHED N#CCCN[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 443071311 PVDGKMSSKPNYBP-TZMCWYRMSA-N 282.309 3.845 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1cc(C#N)ccc1F 445877707 DBFZZKREFYVQOB-CYBMUJFWSA-N 288.288 3.764 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(CCC(F)(F)F)cc1 611029865 NOWGPKKPLVELSV-ZDUSSCGKSA-N 298.308 3.604 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@@H](C(C)C)C1)C1CC1 537935111 UPQBCGJETQPMLH-OWCLPIDISA-N 251.414 3.524 30 20 CHED Cc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 618741310 DKHDJIFNLGGGBT-SFHVURJKSA-N 262.356 3.644 30 20 CHED C[C@@H](C[S@@](=O)Cc1ccc(C#N)cc1)c1ccccc1 359412314 NTAAGGSEEBCLSD-VBKZILBWSA-N 283.396 3.611 30 20 CHED Cc1ccccc1C(C)(C)CNc1cnccc1C#N 535791940 WLOVFSAHGZHDOR-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C[C@H](CCC#N)CN1CCCCC[C@@H]1c1ccncc1 618887431 ZLEDPTCNAJKTGL-NVXWUHKLSA-N 271.408 3.939 30 20 CHED CC(C)CCN(CCC#N)C(=O)CCCC(F)(F)F 356022042 PNLSAOQCSUMGNV-UHFFFAOYSA-N 278.318 3.507 30 20 CHED C[C@@H](NCc1cccc(C#N)c1F)c1ccc(F)cc1F 539291318 ZREPLHIDALMWPK-SNVBAGLBSA-N 290.288 3.826 30 20 CHED COC(C)(C)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 611393507 VJVDVVWMRNVPPB-CXAGYDPISA-N 286.419 3.729 30 20 CHED C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H](C)S1 530939069 NTFRJJKTUUCPNM-CHWSQXEVSA-N 279.836 3.517 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 268018177 RFBXIAGAMBYRKG-ZIAGYGMSSA-N 293.432 3.519 30 20 CHED C[C@H](C#N)C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 452834015 LKNAEVKMPHZZDN-CQSZACIVSA-N 298.430 3.850 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1ccc(CC#N)cc1 360078799 KQDMAAUYCCFNBL-UHFFFAOYSA-N 293.370 3.745 30 20 CHED Cc1cc(CN[C@@H](C)CCCc2cccnc2)ccc1C#N 459636234 KAIBVKZVLYEUJO-INIZCTEOSA-N 293.414 3.763 30 20 CHED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CCCC#N 360454969 LIVATZWXHXNGLN-CYBMUJFWSA-N 298.308 3.799 30 20 CHED C=CCN(Cc1cccc(C#N)c1)[C@@H](C)CC(C)C 611290072 OFOWAUXSXMOVCY-HNNXBMFYSA-N 256.393 3.981 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H](c2ccco2)C1)c1ccccc1 364481704 JAUSXPGPIGWJTG-IRXDYDNUSA-N 295.382 3.955 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC(C)(C)c2cccs2)c1 456009314 SSJKXTJJXIPXCN-UHFFFAOYSA-N 299.399 3.985 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)c1cc(C#N)ccc1Cl 457235087 LWIFGBRQFGWLNI-GDBMZVCRSA-N 290.794 3.766 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N[C@](C)(C#N)C(C)(C)C 545919654 UNPDTDLXQGKNPS-XJKCOSOUSA-N 264.413 3.647 30 20 CHED C=CCC1(NC(=O)c2csc(C(C)=O)c2)CCCCC1 456361103 FFIKSSARMHZVPY-UHFFFAOYSA-N 291.416 3.960 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 452117437 IISPVQWJUWJEOZ-OLZOCXBDSA-N 251.414 3.872 30 20 CHED C#CCCCC(=O)Nc1c(Cl)ccc(F)c1C 279297164 YRCLNKLZRHOMMM-UHFFFAOYSA-N 253.704 3.530 30 20 CHED CC(C)CN(C(=O)[C@@H](C)C1CCC1)c1ccc(C#N)cc1 457513666 MHFDASCIVKJLLQ-AWEZNQCLSA-N 284.403 3.983 30 20 CHED N#Cc1c(NCc2coc3ccccc23)nc2ccccn12 360112802 OGHTXFMUSAJREL-UHFFFAOYSA-N 288.310 3.564 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(OCCC)c1 454404926 KNWFDCUMFUSMGW-UHFFFAOYSA-N 262.353 3.563 30 20 CHED COc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)ccc1C 271969345 UBLWMOXUBQRMNP-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1CC1(C#N)CCC1 450757138 KUEFDEFTYKWOPC-QGZVFWFLSA-N 268.404 3.777 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccc(OC)cc1 271488875 OQRCBKZSZBYARB-OAHLLOKOSA-N 295.382 3.558 30 20 CHED CC[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 278175731 CXODGYJBMSOWIM-IBGZPJMESA-N 293.414 3.865 30 20 CHED C[C@]1(NC(=O)c2ccc(C#N)s2)CCCc2ccccc21 547240689 GMIKZEQDOWGIPB-KRWDZBQOSA-N 296.395 3.601 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C(=O)CC)cc1 626732494 ODBLVVGNIFJXHQ-UHFFFAOYSA-N 274.364 3.757 30 20 CHED C[C@H]1CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC(C)(C)C1 544135515 HJBOCHVMAFARQP-ZIAGYGMSSA-N 299.418 3.697 30 20 CHED C#CCCCNC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 378467431 SLJVFJZFTZMZNS-MJGOQNOKSA-N 296.414 3.511 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1ccc2cc[nH]c2c1)OCC 280726603 YMJIYVKMRNSLHT-MRXNPFEDSA-N 286.375 3.502 30 20 CHED CO[C@]1(C)CCCN(CC#Cc2cccc(Cl)c2)CC1 280378692 KXGOPECVXBUDDE-QGZVFWFLSA-N 291.822 3.583 30 20 CHED C=CCOc1ccc(CNC(=O)C2(C)CCCCC2)cc1 553064848 KFQGOOZPXITIEU-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C=CCN[C@H](c1cccc(Cl)c1)c1ccccn1 370878714 DZBCJIUJAXACEV-OAHLLOKOSA-N 258.752 3.600 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(C(C)(C)C)n1 280736206 WJZJBNIPPKMDIY-OCCSQVGLSA-N 294.464 3.511 30 20 CHED C[C@@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)c(F)c1 553791790 PGWGODOGNDWOIM-TWJWRFFLSA-N 272.367 3.784 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 467087829 BAZWAOLFTSAQCJ-HUUCEWRRSA-N 266.429 3.809 30 20 CHED CC(C)C[C@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)CCO1 286555126 QMCGHFGKUZSEQX-UWVGGRQHSA-N 299.827 3.674 30 20 CHED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1nc(C)cs1 287901289 NYFCNAUKPJWLDD-ZETCQYMHSA-N 298.824 3.996 30 20 CHED CC(C)c1cccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)n1 559595306 XEUANVYJFWFCIB-SFHVURJKSA-N 299.418 3.797 30 20 CHED C=CC[C@H](CC)N[C@H](C)CC(=O)Nc1ccccc1C 281709699 TYYIYAUYFSPGBJ-CABCVRRESA-N 274.408 3.656 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cc(F)ncc2F)cc1 806568135 RFIGLLCSGUMEPT-YVMONPNESA-N 289.281 3.655 30 20 CHED CC(C)C1CCC(C=NN[C@@H]2CCSC2)CC1 808000302 JAYGVQDYKLHYSW-JXQTWKCFSA-N 254.443 3.530 30 20 CHED C=CCOc1ccc(CNCc2cccc(C)c2O)cc1 809689674 SZGUCACLGAFBLA-UHFFFAOYSA-N 283.371 3.555 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCCNc1ccccc1 553705718 UXERMBVYHJVSRE-OAHLLOKOSA-N 289.423 3.533 30 20 CHED C#Cc1ccc(CNCc2ccc3[nH]c(C)cc3c2)cc1 809720064 WVWZREGCEDRUKV-UHFFFAOYSA-N 274.367 3.747 30 20 CHED C[C@H]1CC(=NNc2ncccc2F)c2ccccc21 807988873 ZZUOILZXGUHGCK-JTQLQIEISA-N 255.296 3.544 30 20 CHED COc1cccc(OC)c1SCC1(C#N)CCCC1 806594362 PQYBDHQYGQMMRP-UHFFFAOYSA-N 277.389 3.880 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](C)CCC)c1ccc(Cl)cc1F 804871488 JUYLKUSXYKEWTF-IINYFYTJSA-N 296.773 3.641 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn(CC(C)C)c1CC 644801915 NVNSJUFBGAKTEH-UHFFFAOYSA-N 277.412 3.642 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1Cc1ccccc1 806124494 ZJUFEYKCQBKKTR-QGZVFWFLSA-N 292.382 3.811 30 20 CHED Cc1csc(C(=O)OCCCSCC#N)c1Cl 805537688 UXEUPVSEUXXYGH-UHFFFAOYSA-N 289.809 3.514 30 20 CHED CCCCCC[C@H](C)CC(=O)Nc1n[nH]c(C)c1C#N 807393718 NXRRSYSJZNFWOE-NSHDSACASA-N 276.384 3.525 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@]1(C)C(C)C 476661214 QIHPEEOBTZODCH-NVXWUHKLSA-N 275.392 3.519 30 20 CHED Cc1cccc(C2=CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 293681961 BBMRVZQDXBYWSG-MAUKXSAKSA-N 266.388 3.776 30 20 CHED C=CCCCCSCc1cc(=O)n2ccc(C)cc2n1 563644422 GXJPGVNYDRSDQS-UHFFFAOYSA-N 288.416 3.592 30 20 CHED C=CCCCCNC(=O)N(C)Cc1cc2ccccc2o1 472854318 RNISLCVMRUFXRI-UHFFFAOYSA-N 286.375 3.931 30 20 CHED Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H](C)C#N 472380957 LBNJZRGRMLLGEG-ZDUSSCGKSA-N 294.354 3.672 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc(F)cc1)C(C)(C)C 474156264 UIECMIZIGJJXCV-INIZCTEOSA-N 279.399 3.753 30 20 CHED Cc1cccc2c(C(=O)N(CCC#N)C(C)C)coc12 562992500 ZANOQZNCMZWRNL-UHFFFAOYSA-N 270.332 3.506 30 20 CHED CCOc1cc(C=NOC/C=C/Cl)cc(Cl)c1O 811670761 CBVDCUZDEUSURD-KTAVOSRASA-N 290.146 3.547 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccc(CCC(C)C)cc1 563920981 UAGNEZAZJZUXSW-KRWDZBQOSA-N 275.392 3.541 30 20 CHED C=CCC(C)(C)C(=O)OCc1oc(CCC)nc1C 814076556 CTLGCIWSMPZHPI-UHFFFAOYSA-N 265.353 3.581 30 20 CHED CC(Cc1cccs1)=NN[C@@H](C)COc1ccccc1 811667457 VXCPKAXKDUKYAR-AWEZNQCLSA-N 288.416 3.724 30 20 CHED N#Cc1cc(NC(=O)c2ccc3c(c2)CCC=C3)ccc1F 560100692 WNVRMDFMKKTSHZ-UHFFFAOYSA-N 292.313 3.909 30 20 CHED C=CCC[C@@H](CCC)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 819735019 YQXGRVMDDHGDKB-CZUORRHYSA-N 299.422 3.652 30 20 CHED CC(C)(CCC#N)CNC(=O)/C(F)=C\C1CCCCC1 813705064 PZLVPNNJRUEIRF-SDNWHVSQSA-N 280.387 3.866 30 20 CHED COc1ccc(NN=CCC(C)(C)SC)c([N+](=O)[O-])c1 814881279 VRLJCBZLQPXJQN-UHFFFAOYSA-N 297.380 3.533 30 20 CHED Fc1cccc(Cl)c1NN=Cc1cccnc1Cl 814905074 MVNCQIUKDBANEI-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C#CCON=C(C)c1sc(-c2ccccc2F)nc1C 814936481 UUUXBRMTGBMUNZ-UHFFFAOYSA-N 288.347 3.631 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H]1CCCCC12CCCC2 812561838 DGRGZARYZSUYGW-GOSISDBHSA-N 295.426 3.830 30 20 CHED Cc1ccc(NN=Cc2cnc(C(C)(C)C)nc2)cc1 814685908 QQLDTAQPYLUNFC-UHFFFAOYSA-N 268.364 3.529 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CCCCC 489287160 ISNDPDYNFNGIEH-GJZGRUSLSA-N 267.413 3.539 30 20 CHED CCc1ccc([C@@H]2CN(CCC(C)(C)C#N)CCO2)cc1 576733945 JTEZLHHROGPPCV-KRWDZBQOSA-N 286.419 3.562 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cccn2C(C)C)cc1 489957803 QDFWHDASOMRNET-MRXNPFEDSA-N 295.386 3.626 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C1(c2ccccc2C)CCCC1 485794734 YRMSBSSINTUJSB-HNNXBMFYSA-N 298.430 3.815 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc3[nH]ccc3c2)no1 810278792 MAQQWKXRPYZWIZ-UHFFFAOYSA-N 299.333 3.790 30 20 CHED CC(C)Oc1ccccc1C=NN[C@@H](C)c1ccncc1 819815232 OCAUFMFUEQIWBZ-AWEZNQCLSA-N 283.375 3.554 30 20 CHED CC(Cn1cccn1)=NNc1c(Cl)cccc1Cl 814872415 WUCNBKHHGVLARW-UHFFFAOYSA-N 283.162 3.678 30 20 CHED CC(C)(C)c1ncc(/C=C\c2ncccc2C#N)s1 485975311 JCMFRSVQJNPKJE-SREVYHEPSA-N 269.373 3.878 30 20 CHED C=CCn1c(C(C)C)nnc1N1C[C@H](C)c2ccccc21 578803893 BGJWMOANHYWHRC-ZDUSSCGKSA-N 282.391 3.843 30 20 CHED Cc1cc2cc(C=NNC[C@@H]3CCSC3)oc2cc1C 811663088 ZFZGKRJCBDXJPD-ZDUSSCGKSA-N 288.416 3.726 30 20 CHED C[C@H](/N=C\c1cc(Br)ccc1O)C(F)(F)F 818991781 JNEJPBQEBZYGEI-OXVNWCFQSA-N 296.086 3.524 30 20 CHED Cc1cc(CN(CCC#N)Cc2cccnc2)c(C)s1 577397946 ITIWIENVRKALEB-UHFFFAOYSA-N 285.416 3.676 30 20 CHED N#CC1(CSCC(=O)Nc2ccc(Cl)cc2)CCC1 571063120 CCYQONRDNWZTAL-UHFFFAOYSA-N 294.807 3.706 30 20 CHED C=C[C@H](CC)CC(=O)NCC[C@@]1(C)CC1(Cl)Cl 821761453 BZUXSDBYSDBXNZ-PWSUYJOCSA-N 278.223 3.679 30 20 CHED N#CC1(CSC[C@@H]2CC2(Cl)Cl)CCC1 829083434 OHBVFYYRNJLYAI-QMMMGPOBSA-N 250.194 3.607 30 20 CHED CCC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccn1 729149725 OGWROWSWZGZXOK-JVVDOCDTSA-N 299.330 3.656 30 20 CHED CC1(C)CCCCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 570733086 FBLWOSLAYHHGCV-UHFFFAOYSA-N 289.354 3.741 30 20 CHED CC1=C(C)C[C@H](C(=O)OCCCC(C)(C)C#N)CC1 829814988 DGCQPFLOFFXVGD-CQSZACIVSA-N 263.381 3.996 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](CC#N)C1 824379398 LADDZPDBFWQTHR-FUHWJXTLSA-N 298.430 3.716 30 20 CHED CCn1nc(C)c(/C=C\C(=O)c2ccc(C)cc2OC)c1C 727974228 JEKVLKRYMSIWHZ-KTKRTIGZSA-N 298.386 3.733 30 20 CHED Oc1cccc(C=Nc2ccc(OC3CCCC3)nc2)c1O 726888905 COQYQKBULFATQJ-UHFFFAOYSA-N 298.342 3.565 30 20 CHED CCOc1ccc(C=Nc2cc(F)c(F)cc2F)c(O)c1 729149685 NSGRJLLAUPUUFB-UHFFFAOYSA-N 295.260 3.959 30 20 CHED CC[C@@H]1C[C@H](Nc2ccc(OC(C)C)c(C#N)c2)CCO1 824126206 STGWBGDQMOVMTB-HZPDHXFCSA-N 288.391 3.715 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccc(F)c(F)c1 901318066 QIKGBGMGFJQYGO-JTQLQIEISA-N 268.307 3.569 30 20 CHED C=CCCC(=O)Nc1cc(C)nn1-c1cccc(Cl)c1 588020860 YEVRFSDCBRVDEF-UHFFFAOYSA-N 289.766 3.739 30 20 CHED CC[C@@H]1CCCC(=NNCCc2ccc(OC)cc2)C1 737439815 JIFJNYKIIZWAKW-CQSZACIVSA-N 274.408 3.784 30 20 CHED C=C(C)C[C@@H](NC/C=C/c1c(C)cc(C)cc1C)C(=O)O 901682940 YHAASMXMDVSWBY-DKRLNXSXSA-N 287.403 3.634 30 20 CHED C=CC[C@H](NC(=O)c1ccc(C)cc1C)c1ccncc1 734234324 LHTFSOGIQMVHHI-KRWDZBQOSA-N 280.371 3.746 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1F 588618970 DOSQJJPWQXRYKP-ALCCZGGFSA-N 291.709 3.779 30 20 CHED C=C(Cl)CN1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 732413157 PKNIEWUZMPGSFL-VNHYZAJKSA-N 265.784 3.589 30 20 CHED C#CC(C)(C)NC(=O)c1cc(C)n(C2CCCCC2)c1C 733883507 LWRDEWJCNZUJHH-UHFFFAOYSA-N 286.419 3.752 30 20 CHED C=C(C)CN(CC)c1ncnc2ccc(SC)cc12 581152883 YDEHXGZFKHJNHE-UHFFFAOYSA-N 273.405 3.754 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccccc1F)C2 730948685 JSBGFADCYAEARX-GXDHUFHOSA-N 252.288 3.957 30 20 CHED Fc1cc(F)c(NN=C2CCCC23CCOCC3)c(F)c1 901320714 HAEQCLNBKYIDAN-UHFFFAOYSA-N 298.308 3.853 30 20 CHED Fc1ccccc1CNN=C1CCC[C@@H]1c1ccccn1 835010731 GASQQPKMEFPNAW-CQSZACIVSA-N 283.350 3.634 30 20 CHED C=CCC[C@H](CC)NC[C@](CC)(C(=O)O)c1ccccc1 901896234 CRCWVGDWHZNJNQ-WMZOPIPTSA-N 289.419 3.753 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@H]1CCCSC1 839437057 LMDBEKGMEIGFMW-AWEZNQCLSA-N 296.395 3.793 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)sc1C 839044986 RNXFPNRUBURDRP-NEPJUHHUSA-N 263.362 3.604 30 20 CHED C=CCC[C@H](CCC)NC1CCN(C(=O)C(C)(C)C)CC1 675749028 DAOXHIJUWSHNJO-HNNXBMFYSA-N 294.483 3.748 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cccc(Cl)c1O 834892557 LZVGTDZESJGPGY-KFWWJZLASA-N 295.810 3.820 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)[C@@H]1C[C@H]2CC[C@H]1O2 834960333 MLHGXNAUEZRKMQ-OWCLPIDISA-N 272.392 3.967 30 20 CHED CCCCCCCCC(=O)NCC[C@H]1CCCN(C)C1 838140904 SFARJXYKMQYVAZ-MRXNPFEDSA-N 282.472 3.585 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccc(C#N)cc2)[C@H](C)C1 736033752 MSIBUJMKFWZMMN-JMSVASOKSA-N 257.333 3.540 30 20 CHED Cc1cc(O)c(C(C)C)cc1NC(=O)C#CC(C)(C)C 837487407 IHGSYSLESMPUCA-UHFFFAOYSA-N 273.376 3.812 30 20 CHED CCC(CC)(CC)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839059291 ZYIXHRCEQMKMRR-QWHCGFSZSA-N 251.370 3.828 30 20 CHED C=CC[C@@H](N[C@H](CC)c1ccncc1)c1ccncc1 834589629 MIONSUPULVVEJR-IAGOWNOFSA-N 267.376 3.835 30 20 CHED N#C[C@@]1(C(=O)OC[C@@H]2CCCCC2(F)F)CC12CCCC2 837903577 WAJCWMKORMCNRL-SWLSCSKDSA-N 297.345 3.829 30 20 CHED C=CCCCCCCNC(=O)NCc1cnc(C)cc1C 836457520 UKFQIQWMRWDFKE-UHFFFAOYSA-N 289.423 3.634 30 20 CHED CCc1ccc(N(CC2CC2)C(=O)c2ccc(C#N)o2)cc1 836837597 JSKSTRIMVPPDNK-UHFFFAOYSA-N 294.354 3.770 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)CCCC(C)(C)C 741638804 JMLYIYLJFAIRJM-UHFFFAOYSA-N 291.366 3.993 30 20 CHED C=CCC1(C(=O)O[C@H](C)C(=O)c2ccco2)CCCC1 838284597 MWTNMCMXTCKLNI-GFCCVEGCSA-N 276.332 3.531 30 20 CHED Cc1cc(C)c2c(c1)CC[C@H]2NCc1cccc(C#N)c1 594493336 CGRKTSOIPNQDTA-GOSISDBHSA-N 276.383 3.952 30 20 CHED CC(=NNc1ncnc2c1oc1ccccc12)C1CCC1 747630803 UBJPYFZTQRSVMD-UHFFFAOYSA-N 280.331 3.964 30 20 CHED CSc1ccc(Cl)c(NC(=O)N(C)[C@H](C)CC#N)c1 596984293 LNGSZESKCMKJRQ-SECBINFHSA-N 297.811 3.828 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSCCC#N 840214791 YKEUYFICGIMHMS-MGPQQGTHSA-N 283.437 3.637 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccccc1)C1CCCCC1 845199877 FNVXPKQGOUKLMU-WMLDXEAASA-N 284.403 3.974 30 20 CHED CC(C)Oc1ccc(OC(=O)c2ccc(C#N)s2)cc1 749394205 SVJKVSUTTCECED-UHFFFAOYSA-N 287.340 3.626 30 20 CHED COCC[C@H](C)C/N=C\c1cc(Cl)cc(Cl)c1O 840712186 XBHZFEKUTLJUMU-HUUTXYLISA-N 290.190 3.791 30 20 CHED CC(C)(C#N)CC(=O)NCc1ccc(-c2cccs2)cc1 597975217 CURKFEJZGXXRLA-UHFFFAOYSA-N 298.411 3.971 30 20 CHED Cc1ccc2ncc(CSCCO[C@H](C)C#N)cc2c1 842184733 VLAZWZZFVROYCE-CYBMUJFWSA-N 286.400 3.705 30 20 CHED Cn1cccc1C/N=C\c1c(O)ccc2ccccc12 743501588 OAMKQFCMLOZBNX-PDGQHHTCSA-N 264.328 3.503 30 20 CHED N#CCC1(COC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 744277980 DPGIBFKNHRCUHM-MNOVXSKESA-N 289.297 3.592 30 20 CHED C=CC(C)(C)CNC(=S)Nc1cccc(OCC)c1 840794549 LGPVPATXCQCNFV-UHFFFAOYSA-N 278.421 3.584 30 20 CHED CC(C)=CCCC(C)=NNc1ccc(CC(=O)O)cc1 848415508 MVKJGJODKAXKRS-UHFFFAOYSA-N 274.364 3.848 30 20 CHED CCC(CC)CN(CCC#N)C[C@H]1CC1(Cl)Cl 749115853 LGTJJQVOLNQZKZ-GFCCVEGCSA-N 277.239 3.832 30 20 CHED C=C(CNC(=O)C1=CCCCCC1)c1ccccc1 685215749 HERTVJDNFFFKFN-UHFFFAOYSA-N 255.361 3.707 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Oc1cccc(OCC#N)c1 841344844 ZTGXVMIQIOTEPL-ZDUSSCGKSA-N 289.375 3.957 30 20 CHED C=CCOC(=O)[C@H](C)c1ccccc1C(F)(F)F 744042136 JSOUVZUVTWZTHJ-SECBINFHSA-N 258.239 3.538 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(C)c(F)c1 742377289 RIVWJFYGQGOIQB-UHFFFAOYSA-N 287.309 3.897 30 20 CHED Cc1cccc2c(CCC(=O)OCCCCC#N)c[nH]c12 744141577 YEMHETQALYNHCM-UHFFFAOYSA-N 284.359 3.646 30 20 CHED Cc1ccc(C=NNc2nccc3sccc23)o1 915980435 RTAHZDRFYCFPLD-UHFFFAOYSA-N 257.318 3.644 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCC[C@@H](C)C3)[nH]c12 744160127 KNYIKECGQVYYDV-KWCYVHTRSA-N 295.386 3.874 30 20 CHED C=CCCCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 749032365 FFXLEBFOJOWPBC-NSHDSACASA-N 288.347 3.968 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc2cc(Cl)ccc2s1 597040685 XTZMMQUZONYABU-NSHDSACASA-N 292.791 3.977 30 20 CHED N#CC1CN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 590492362 VZLOJFTXBQVEBL-UHFFFAOYSA-N 296.757 3.603 30 20 CHED CCN(CCc1ccc2ccccc2c1)[C@H](C)C#N 595812833 ITEHWOQVMRCXHG-CQSZACIVSA-N 252.361 3.616 30 20 CHED CN(C)[C@@H]1CCC[C@@H](/N=C\c2c(O)ccc3ccccc23)C1 749844512 KPXOZKOOSZBEKA-YTHNMZCWSA-N 296.414 3.837 30 20 CHED N#CC1(CC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)CCCCC1 597773522 IURMRWGRZPTTFD-JKSUJKDBSA-N 288.435 3.793 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C 594447384 IUGMPOUVSQFGIJ-HNNXBMFYSA-N 299.418 3.763 30 20 CHED CO[C@@H](CN[C@H](CCC#N)c1ccccc1)C1CCCC1 595422422 XSTRZCUIWKDWSB-MSOLQXFVSA-N 286.419 3.826 30 20 CHED CSc1ccc(Cl)c(NC(=O)C(C)(C)C#N)c1 597921801 BJANVSKGIXZLKW-UHFFFAOYSA-N 268.769 3.550 30 20 CHED CN(C)Cc1ccc(-c2ccc(CC#N)s2)cc1 846780346 ULELKWIVLVRMMJ-UHFFFAOYSA-N 256.374 3.543 30 20 CHED C[C@H](C#N)OC(=O)C[C@H](Cc1ccccc1)c1ccccc1 745351279 HEXPYLRGVMMRIQ-QAPCUYQASA-N 293.366 3.858 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@H](C3CC3)C2)n1 741765268 CCEHGYSYZYJPRE-NSHDSACASA-N 278.787 3.807 30 20 CHED COc1ccc(CN[C@H](c2cccs2)C2CC2)cc1C#N 742366838 WIOLYPGAIQWDCE-KRWDZBQOSA-N 298.411 3.869 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(Cl)nc2)c1 748999170 OXMMSOQGWMFERI-ALCCZGGFSA-N 257.720 3.940 30 20 CHED CC(=NOCc1cccnc1)c1ccccc1Cl 746587930 UKCNPNGMWGAXNZ-UHFFFAOYSA-N 260.724 3.676 30 20 CHED CC1(C)CC(=NOCc2cccnc2)c2ccccc2O1 746577734 TVIVMLGMVRQFKA-UHFFFAOYSA-N 282.343 3.564 30 20 CHED N#Cc1csc(C(=O)OCCCC2CCCC2)c1 752585947 FIKPMHVZAOOVEG-UHFFFAOYSA-N 263.362 3.747 30 20 CHED C#CCCCC(=O)O[C@@H]1CCc2c(Cl)cccc21 759492695 VUPMUTNOPZWGFD-CQSZACIVSA-N 262.736 3.674 30 20 CHED COc1cc(C/N=C\c2cc(Cl)ccc2O)ccc1C 920174751 PHYRKBYSBRYYAB-ZDLGFXPLSA-N 289.762 3.982 30 20 CHED COc1cccc(NN=Cc2ccc(F)cc2C)c1 750933484 IFTRBUURRZMUHR-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=C[C@H](C)NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 757006846 OHGBXEKDJCEJCS-IEHMKBBKSA-N 283.293 3.799 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCOC1CCCCCC1 925103809 SFIDPJDOFAWOCY-AWEZNQCLSA-N 266.429 3.644 30 20 CHED N#CC[C@H](CC(=O)OC/C=C/C(F)(F)F)c1ccccc1 851290429 OFZAOOYJBBGTMF-FLUIGGAXSA-N 297.276 3.736 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(OC)c(C)c2)c(O)c1 757472243 NKMVOECYKDIYBC-YWEYNIOJSA-N 298.338 3.614 30 20 CHED CCc1ccc(C(C)=NNc2nc(-c3ccccc3)no2)o1 752165704 SRTSEMRVVZGCAJ-UHFFFAOYSA-N 296.330 3.728 30 20 CHED Fc1ccc(/C=C/C=NO[C@@H]2CCCCO2)c(F)c1 758130640 XORWNNIGBGBNNB-URWLYLQASA-N 267.275 3.507 30 20 CHED C#CC[C@H](NC(=O)N[C@@H]1CCC[C@H](C)C1)c1ccccc1 757009133 ABMJBJMSPFQOGJ-UAGQMJEPSA-N 284.403 3.629 30 20 CHED C=C[C@H](OC(=O)CC[C@@H]1CC[C@H](C)O1)c1ccccc1 851452961 ZGLSGEJGUPMBNU-BPUTZDHNSA-N 274.360 3.805 30 20 CHED C#CCCCCCC(=O)OCc1cccnc1C(F)(F)F 859629453 AHVVMBHQZBENIN-UHFFFAOYSA-N 299.292 3.727 30 20 CHED COc1ccc(C=NNc2cccc(F)c2)c(Cl)c1 920386028 OGXWOYFBIUCSMD-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C/C=C(/C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 751372072 BFRVOVRKJBDUFD-UVYAAXSVSA-N 283.158 3.640 30 20 CHED N#CC[C@@H](CC(=O)OC[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1 851416363 GSXWDUPTBQYJDQ-QSPRXWTASA-N 283.371 3.663 30 20 CHED COc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1C 858240229 FHVUPDQHGFIRBQ-ZDUSSCGKSA-N 296.370 3.907 30 20 CHED CCCCCC(C)(C)C(=O)Nc1cc(C#N)ccc1O 759716892 FVZIJOZNDFSNMS-UHFFFAOYSA-N 274.364 3.809 30 20 CHED CC1=CC(=NNc2ncc(Cl)cn2)CC(C)(C)C1 857221874 SXTXZXFGMPMUIK-UHFFFAOYSA-N 264.760 3.664 30 20 CHED Clc1cc(C=NO[C@@H]2CCCCO2)c2ncccc2c1 755823225 XQDQBQIMHLKDBM-CQSZACIVSA-N 290.750 3.765 30 20 CHED CO[C@H](C#N)c1ccc(-c2ccc3c(c2)CCCO3)cc1 854188383 XTLCKBNKEXPEKW-GOSISDBHSA-N 279.339 3.890 30 20 CHED CSc1ccc(C(C)=NNc2cc(C)ccn2)cc1 755903407 QGNBAAITZXAPEX-UHFFFAOYSA-N 271.389 3.948 30 20 CHED COc1cccc2c1C/C(=C/c1cccc(C)c1)C2=O 759665930 SBOQXCIYFMWPEA-UVTDQMKNSA-N 264.324 3.826 30 20 CHED C(=NNCCCc1ccccc1)c1cccc2[nH]ccc12 755697686 YUKWALHBKKICMG-UHFFFAOYSA-N 277.371 3.724 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(N)cc1C 758117080 JASUDCJEXBRNAU-UHFFFAOYSA-N 293.292 3.831 30 20 CHED C=C1CCN(C(=O)Nc2ccc(Cl)c(C)c2)CC1 931868310 JFKXRKLSIBOBJA-UHFFFAOYSA-N 264.756 3.832 30 20 CHED N#Cc1cc(C(=O)OCc2cccc(F)c2)ccc1Cl 754902208 RDIGPWZNVOTBDH-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=C1CCN(C(=O)c2ccc(SC(F)(F)F)o2)CC1 865178422 ZRMWLTPHLKBDTM-UHFFFAOYSA-N 291.294 3.684 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)OCc1cc(C#N)ccc1F 769182275 LZBUIGQLMXOQDR-DGCLKSJQSA-N 275.323 3.567 30 20 CHED CC#CCCOC(=O)[C@@H](C)Sc1ccccc1Cl 760288604 AGHVGKPUGFOGFR-LLVKDONJSA-N 282.792 3.777 30 20 CHED COc1cc(F)ccc1NN=Cc1cccc(F)c1F 761884487 HDQXDHISVWGKKV-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C(CCC1CCOCC1)=NNc1ccc2ccccc2n1 764888720 YAJUQNZSOBAGAJ-UHFFFAOYSA-N 283.375 3.839 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2cccc(Cl)c2)c1 763170570 AXNWRGPATQQITG-WAYWQWQTSA-N 290.702 3.616 30 20 CHED C=C(C)C[C@@H](NCc1cccc(CC2CCC2)c1)C(=O)O 864529769 MAPUXGFNNXQWBS-QGZVFWFLSA-N 287.403 3.538 30 20 CHED CCCCC[C@H](CC)C(=O)OCC1(C#N)CCC1 768079253 ZEXZENFYZUCQIS-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED C(=NNc1ncnc2sccc12)C1Cc2ccccc2C1 766433426 ZMNIEESUGIOZGZ-UHFFFAOYSA-N 294.383 3.504 30 20 CHED C#CCC1(C(=O)OCc2cnc(C3CC3)o2)CCCCC1 875998579 FYMPOFOZUJHVFB-UHFFFAOYSA-N 287.359 3.569 30 20 CHED C=C(CC)COC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 766784871 UCYQWAINIRWWJF-WDEREUQCSA-N 284.277 3.717 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2cscn2)c1 776193008 VGUIDNCWHKBLSP-SREVYHEPSA-N 271.341 3.604 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2COc3cc(Cl)ccc32)cc1 774525421 MOPLKNIHCFLELF-HNNXBMFYSA-N 299.713 3.502 30 20 CHED CCCCCCCNC1CCN(Cc2ccccn2)CC1 776746835 HLDDZTPRTMVCEX-UHFFFAOYSA-N 289.467 3.606 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@@H](CCC#N)c1ccccc1 779990238 DPBCVHUNBCNRDH-FIPLFPIMSA-N 270.376 3.894 30 20 CHED Cc1ccc(COC(=O)c2ccc(C#N)cc2)c(C)c1 770109783 COJPFLXVMAMTIJ-UHFFFAOYSA-N 265.312 3.532 30 20 CHED C[C@@H](OC(=O)C1(C)CC(F)(F)C1)c1ccc(C#N)cc1 873441254 ODNDJXBLPYGZPS-SNVBAGLBSA-N 279.286 3.598 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(COCC)c1 878626727 GYNCZTLRDYEYIZ-UHFFFAOYSA-N 261.365 3.764 30 20 CHED CC(C)(C)SCCCN1CCC(CC#N)CC1 878397534 VDHLNXNKBKJKNX-UHFFFAOYSA-N 254.443 3.534 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC2(COC)CC2)cc1 777239186 UZVYUVZBBRHSOJ-ZDUSSCGKSA-N 295.810 3.648 30 20 CHED CC(=O)c1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)cc1 776374772 SJBAVKUGROBLJX-INIZCTEOSA-N 285.343 3.518 30 20 CHED Cc1cc(CNCC2CCC(C)CC2)ccc1C#N 1461113787 YWTDELWJCAJZGC-UHFFFAOYSA-N 256.393 3.783 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)c2ccccc2F)c1 1129685338 NGSCCDRDCZYURH-GFCCVEGCSA-N 282.318 3.748 30 20 CHED C=C(C)CCC(=O)O[C@H](C)c1nc(C2CC2)cs1 1121089718 DAFHOXYAEZVRQY-SNVBAGLBSA-N 265.378 3.981 30 20 CHED Cc1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)nc1C 1126779753 HFWKDLTVUMAAMW-UHFFFAOYSA-N 299.761 3.500 30 20 CHED CCC(CC)NN=Cc1ccc(F)cc1C(F)(F)F 771883216 FUSQQAMKLLUWKF-UHFFFAOYSA-N 276.277 3.957 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc(C(C)=O)cc1F 888806325 YGXJDZBUHJEITK-UHFFFAOYSA-N 264.296 3.536 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C2(F)CCCC2)n1 774131163 QXTQCWNXAIMAEM-SNVBAGLBSA-N 280.368 3.725 30 20 CHED C#CCCCOC(=O)c1coc(-c2ccccc2Cl)n1 776440772 RRBTXAFLAMIEKV-UHFFFAOYSA-N 289.718 3.565 30 20 CHED CCc1ccc([C@@H](O)CN[C@H](C)c2cccc(C#N)c2)cc1 789364231 VGLNIRXINCDJKR-KUHUBIRLSA-N 294.398 3.505 30 20 CHED N#Cc1sc(NC(=O)NC2CCCCCC2)nc1Cl 888407114 SJRBKFNGBUGRKH-UHFFFAOYSA-N 298.799 3.512 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1nc2ccccc2nc1C 785761800 NIEYALJYUZYJSM-KRWDZBQOSA-N 284.359 3.584 30 20 CHED C=C(CNC(=O)c1cc(C)c(F)c(C)c1)c1ccccc1 1129587706 LWCBFBNWDCFXOS-UHFFFAOYSA-N 283.346 3.886 30 20 CHED C#Cc1cccc(N[C@@H](C)Cc2ccccc2F)c1 133765248 MUVPPFIPAIAXDT-ZDUSSCGKSA-N 253.320 3.850 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)[C@H]1CCSC1 782176740 IYKHNHFMINIXSG-LLVKDONJSA-N 289.429 3.961 30 20 CHED C[C@@H]1C[C@@H]1C=NOCc1ccc(F)cc1Br 780282059 BFEGUDSFASMFSU-PSASIEDQSA-N 286.144 3.747 30 20 CHED CN(C)c1ccccc1N(C)CCCCC(C)(C)C#N 409446525 XMLGLCXGSDMKFU-UHFFFAOYSA-N 273.424 3.909 30 20 CHED c1ccc(C[C@H]2CCCC2=NNCCc2ccccn2)cc1 789113790 XCSYUWKVCVMLOC-QGZVFWFLSA-N 293.414 3.613 30 20 CHED C#CCC1(C(=O)OCc2ccc(CC#N)cc2)CCCCC1 788218254 NVUOXDVFCBKGHL-UHFFFAOYSA-N 295.382 3.770 30 20 CHED C=C1CC(c2noc([C@H](F)Cc3ccccc3)n2)C1 896883022 DQYBXTAVVLFKNP-CYBMUJFWSA-N 258.296 3.757 30 20 CHED CC[C@H]1c2ccccc2CN1c1ncc(C#N)cc1F 897354588 OFYAGUXGDYWQJD-HNNXBMFYSA-N 267.307 3.564 30 20 CHED Cc1ccc(C)c(NC(=O)NCc2ccc(C#N)c(F)c2)c1 1202773668 RYOPTUWHANZTRD-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C=C(Cl)CN(C)Cc1ccc(OCC(F)(F)F)cc1 796107008 KXIQAOIDDUGIIP-UHFFFAOYSA-N 293.716 3.812 30 20 CHED CC(Cc1ccccc1F)=NNc1ncccc1C 790191563 WKLDICXFSGAURL-UHFFFAOYSA-N 257.312 3.560 30 20 CHED Cc1cccnc1NN=Cc1cc(F)cc(Cl)c1 790191832 YXRIZZODKOLURP-UHFFFAOYSA-N 263.703 3.629 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(F)n1 795805799 RHVUAMUCHMYCJV-QGZVFWFLSA-N 295.361 3.650 30 20 CHED CN(C)c1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1Cl 799724909 TUBWEIWSVGWKGL-GHMZBOCLSA-N 263.772 3.510 30 20 CHED Cc1cc(CSc2ncccc2C)ccc1C#N 566026839 JIQNQSMGZCNANN-UHFFFAOYSA-N 254.358 3.862 30 20 CHED c1cncc(CON=C2CCC[C@@H](c3cccnc3)C2)c1 799884819 LJRMISYDBXQCCY-OAHLLOKOSA-N 281.359 3.707 30 20 CHED CCOc1cccc(/C=N\CCCc2cccc(C)n2)c1O 794678515 CKIMZAHPJQDOLP-UYRXBGFRSA-N 298.386 3.546 30 20 CHED FC(F)(F)CCNN=C1CCC[C@@H](c2cccnc2)C1 799887389 WPJUSPDKNVXUFC-LLVKDONJSA-N 285.313 3.637 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@](C)(O)c1ccco1 793531590 DESXQNLLZNFSFC-GDBMZVCRSA-N 265.397 3.602 30 20 CHED CC(C)C1CCC(C=NN[C@@H]2CCOC(C)(C)C2)CC1 794933021 NRGNHQAEHIURQU-UYSNPLJNSA-N 280.456 3.982 30 20 CHED CCCCCCCNCc1ccc2c(c1)ncn2C 774808173 FPZUFAMLLJUSJV-UHFFFAOYSA-N 259.397 3.633 30 20 CHED CCCCCCCCC(=O)NCc1ccc(C)n1C 1318500161 YDCBEMJOUUOKRB-UHFFFAOYSA-N 264.413 3.700 30 20 CHED CCCCCCC[S@](=O)Cc1nc(C)sc1C 1319414179 ZVAREJLINLUGPQ-KRWDZBQOSA-N 273.467 3.979 30 20 CHED CCC1(CNC(=O)Nc2cc(C#N)c(F)cc2F)CCC1 1311137131 ANIQOTKRIZYJGT-UHFFFAOYSA-N 293.317 3.538 30 20 CHED CC1(C)CCCC[C@H]1Nc1ncc(C#N)cc1Cl 1642417780 WMAUORZMRRZKDA-GFCCVEGCSA-N 263.772 3.987 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCNc1ccccc1 1322030122 QXHHBAISVDLRGK-UHFFFAOYSA-N 288.391 3.752 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2C#N)ccc1F 1321180422 WVXGPPOOQDFHHS-VQHVLOKHSA-N 281.286 3.602 30 20 CHED COC(=O)c1cccc(/C=C2\Cc3ccc(C)cc3C2=O)c1 1322546660 NPAHAHLYUMIXFN-MHWRWJLKSA-N 292.334 3.604 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)C1(C#N)CCCC1 1251301675 OTKUVGBNOJFKDX-BZUAXINKSA-N 290.451 3.895 30 20 CHED C=CCC1(NC(=O)c2occ(C)c2C)CCCCC1 1328480541 GCRUUYNKYVNJSN-UHFFFAOYSA-N 261.365 3.905 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H](F)C1)c1cccc(C#N)c1 1339192800 HFEDTUJZMUWPRK-OAGGEKHMSA-N 260.356 3.880 30 20 CHED CC(C)(CC#N)CN[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1182261757 NKQMJRSSVNTYFD-HOTGVXAUSA-N 286.419 3.762 30 20 CHED Fc1ccc(CNN=Cc2c[nH]c3ccc(F)cc23)cc1 1333397140 BNOXIPPCMQXWSE-UHFFFAOYSA-N 285.297 3.570 30 20 CHED C(=NOC1CCCC1)c1ccccc1N1CCCC1 1254136098 JTOCSRXXKCWXGL-UHFFFAOYSA-N 258.365 3.580 30 20 CHED CCCCCCCCC(=O)N(C)Cc1nnc(C)s1 1334576810 BNFPBRFLNVVTIE-UHFFFAOYSA-N 283.441 3.556 30 20 CHED Cc1ccc(OC(F)F)c(C=NOC(C)(C)C)c1 1253789143 KYSJIUKSXZIARG-UHFFFAOYSA-N 257.280 3.745 30 20 CHED C=C1CCC(C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)CC1 1338540093 YQDQRWIFYDWKFU-UHFFFAOYSA-N 297.398 3.512 30 20 CHED CC[C@H](CC(=O)[C@@H](C#N)c1nccn1CC)c1ccccc1 1263617082 UNNMUUPLDJALOT-GDBMZVCRSA-N 295.386 3.663 30 20 CHED N#Cc1cccc(N(C(=O)[C@@H]2CC=CCC2)C2CCC2)c1 1338057730 JMMLCYXMRDTIQW-OAHLLOKOSA-N 280.371 3.800 30 20 CHED C=C(CC)C(=O)N(CCC)[C@H](C)c1ccccc1OC 1346360517 PDXDTKCUXVGTKD-CQSZACIVSA-N 275.392 3.961 30 20 CHED C[C@H](CCc1ccc(F)cc1)C(=O)O[C@@H]1CC[C@@H](C#N)C1 1263385947 GGKGIABPABTGED-XNRPHZJLSA-N 289.350 3.630 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)[C@@H]2CCc3c(Cl)cccc32)C1 1347140292 ZYTUEDWAXAPOOR-JTNHKYCSSA-N 289.762 3.605 30 20 CHED C=CCC[C@H]1CCCN1c1nnc([C@@H](C)SC)n1CC 1342768347 UXIPPRNGJUWXSX-OLZOCXBDSA-N 294.468 3.657 30 20 CHED N#CCN(Cc1ccccc1C(F)(F)F)C1CCCC1 104695757 KOBNRECJCOMQIG-UHFFFAOYSA-N 282.309 3.974 30 20 CHED C[C@@H](OC(=O)[C@H]1CC[C@H](C)CC1)c1cccc(C#N)c1 1435509729 PCRKHKDBJRCXQA-UMVBOHGHSA-N 271.360 3.989 30 20 CHED C=C(CC)C(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 1351646736 VDAQDJJJMGYNSM-WMZOPIPTSA-N 269.388 3.881 30 20 CHED CCN(C(=O)c1cccc(OC)c1C)c1ccc(C#N)cc1 1435249120 UQIYFYUSGUICKT-UHFFFAOYSA-N 294.354 3.542 30 20 CHED C=C(CC)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1520914467 YQIXBUQZLQQHJU-SJORKVTESA-N 287.403 3.579 30 20 CHED CC[C@@H](CN(CC)c1ncccc1C#N)c1ccccc1 1458327721 CNLAJGACQIDCAU-HNNXBMFYSA-N 279.387 3.973 30 20 CHED Cc1ccc(COC(=O)c2cccc(C#N)c2C)c(C)c1 1523516011 YJYMAOWBMDJREL-UHFFFAOYSA-N 279.339 3.841 30 20 CHED C=C(C)CCNc1cccc(C(=O)O)c1OC(C)C 1609226575 SJCRZPOKIUNIFR-UHFFFAOYSA-N 263.337 3.550 30 20 CHED Cc1cc(F)c(CNc2cccc(OCC#N)c2)c(F)c1 1462071071 NRJHNOCFIKKHHX-UHFFFAOYSA-N 288.297 3.788 30 20 CHED Cc1csc(NC(=O)c2nc(Cl)sc2C)c1C#N 1539629349 YHMODZAVYDTKBD-UHFFFAOYSA-N 297.792 3.599 30 20 CHED CCCC[C@H](CCC)Nc1nnc(C)c(C)c1C#N 226030890 AOWUHRNQAIWPGI-ZDUSSCGKSA-N 260.385 3.736 30 20 CHED O=C(O)c1cc2ccc(OCC#Cc3ccccc3)cc2o1 1602305012 SSNUFBIOYJOSTH-UHFFFAOYSA-N 292.290 3.562 30 20 CHED Cc1cccc2ncnc(Nc3cccc(CC#N)c3)c12 1472785939 WPLJPBNKBXSKSM-UHFFFAOYSA-N 274.327 3.748 30 20 CHED CC(C)(CCCc1ccccc1)CNc1cc(C#N)ncn1 1639486594 YTMHOTXRKDTYJM-UHFFFAOYSA-N 294.402 3.809 30 20 CHED C=CCCCCOc1ccc(C(=O)O)c(Cl)c1 1588802172 FGLYRCOSJDSSIT-UHFFFAOYSA-N 254.713 3.773 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1sc(C)c(C)c1C(=O)O 1588692985 OKJVJUQHFKNWGO-JTQLQIEISA-N 281.377 3.604 30 20 CHED C=CC[C@@H](Sc1cc(C)c2ccccc2n1)C(=O)O 1588759305 ROQDRYSDPOMQTN-CYBMUJFWSA-N 273.357 3.665 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)NCc2ccc(C#N)cc2)C1 1679521200 CUYKGEBOHSPLLK-MRXNPFEDSA-N 299.418 3.574 30 20 CHED CC(CCCc1cccnc1)=NNc1cccc(C(=O)O)c1 1776037170 DZHMUZFFYUKAKD-UHFFFAOYSA-N 297.358 3.591 30 20 CHED O=C(O)c1cc(NN=Cc2ccc(C3CC3)cc2)ccc1F 1776063555 WRZZGZOBZRLYII-UHFFFAOYSA-N 298.317 3.847 30 20 CHED C=CCCCCN(C)Cc1c(C(=O)O)oc2ccccc12 1776174961 QGCIFADAOOHIPK-UHFFFAOYSA-N 287.359 3.919 30 20 CHED CCC1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCC1 158362419 WMAPDDOJSVNVBY-UHFFFAOYSA-N 276.767 3.522 30 20 CHED C=CCN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 158537404 QHGUTPUUXYEVQS-QGZVFWFLSA-N 295.361 3.692 30 20 CHED CC[C@H](CC#N)NCc1c(Cl)oc2ccccc12 164475088 SLWWKEJEFNSPMW-SNVBAGLBSA-N 262.740 3.868 30 20 CHED N#Cc1cc(N[C@@H]2CCc3cc(F)ccc32)ccc1[N+](=O)[O-] 165960074 DCFSYHOLYOTEEE-OAHLLOKOSA-N 297.289 3.705 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H](SCC)C1 151257049 LGIFSPKQVBOSIJ-CABCVRRESA-N 281.465 3.935 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 151971653 LORWIGSNQZAWNO-VIFPVBQESA-N 271.332 3.601 30 20 CHED CC#CCCSc1nnc(-c2ccc(C)cc2C)o1 155287141 FYWFUTGMHCDUCV-UHFFFAOYSA-N 272.373 3.859 30 20 CHED C=CCOCCCC(=O)N(C)c1ccc(C(C)C)cc1 155750930 LDNMRJITVSZZHI-UHFFFAOYSA-N 275.392 3.756 30 20 CHED N#Cc1ccc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)nc1 157955441 VDBFQQCPPFGJEC-YOEHRIQHSA-N 293.370 3.533 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccccc1C)C(C)C 154721377 LRKKLSFUNIDUCG-HNNXBMFYSA-N 260.381 3.520 30 20 CHED C#CCCCCNC(=O)Nc1cc(-c2ccccc2)ns1 154906905 ZDOMJNIZBLWVKP-UHFFFAOYSA-N 299.399 3.735 30 20 CHED CCCCC[C@@H](C)NC(=O)Nc1cccc(C#N)c1 915309033 WNZILIIGKKZFJW-GFCCVEGCSA-N 259.353 3.649 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CS1 125430869 XVUHNCRRQKTKSP-LDYMZIIASA-N 286.322 3.883 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)CCC3)c(F)c1 20048634 WYMUKHLEJGXLMZ-UHFFFAOYSA-N 266.319 3.798 30 20 CHED C[C@H]1CC[C@@H](CNc2ccc(C(F)(F)F)cc2C#N)O1 158339025 VZHKNHXGRUJVPJ-CABZTGNLSA-N 284.281 3.556 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1ccc(F)c(C#N)c1 160555843 ZEOYFCHHPDHKRU-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 169155753 CMUMEULRUGJTFV-SSDOTTSWSA-N 290.672 3.847 30 20 CHED N#Cc1ccc(NCCOc2ccccc2)cc1Cl 43458077 WECQBVKHBLEEDU-UHFFFAOYSA-N 272.735 3.703 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 300408042 CXFLDVQGKSAVIT-WCFLWFBJSA-N 288.778 3.976 30 20 CHED N#Cc1cccc(Oc2cccc3c2CCCC3)n1 301814376 CPTWWTUSRMOSQO-UHFFFAOYSA-N 250.301 3.624 30 20 CHED N#Cc1ccc(CN2CCC3(CCC3)CC2)c(Cl)c1 308743210 MNXMEHOMZKEPBZ-UHFFFAOYSA-N 274.795 3.978 30 20 CHED COc1cc(CNc2ccccc2C#N)ccc1Cl 600849915 OHPFNWCADWCLHI-UHFFFAOYSA-N 272.735 3.832 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H]1CCC(C)(C)C1 361470924 PUNVUKXWXYPYSD-OAHLLOKOSA-N 272.392 3.577 30 20 CHED N#CCN(Cc1ccsc1Cl)C1CCCC1 361551983 YKVNLIPAEZLRCE-UHFFFAOYSA-N 254.786 3.670 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2ccc(C#N)c(F)c2)C1 361690528 YJUMDCSHYWSRNP-DOMZBBRYSA-N 260.356 3.708 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccc(Cl)s1 804834425 CSXKGCSNQQQBOZ-UHFFFAOYSA-N 289.787 3.677 30 20 CHED CC[C@H](CN[C@H](C)CC(C)(C)C#N)CC(F)(F)F 829178942 JNHBGRXDQGCWSI-MNOVXSKESA-N 264.335 3.883 30 20 CHED N#Cc1cc(F)ccc1CN1CCC[C@@H]2CCCC[C@@H]21 1141166525 SWFGLHPDADQGOF-GUYCJALGSA-N 272.367 3.852 30 20 CHED Cc1ccc(NC(=S)NN=C2CCCCCC2)cc1 7010775 WECHMKOIYYLFAC-UHFFFAOYSA-N 275.421 3.992 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc2c(c1)CCCC2 52753413 FALMRKOTPDJFOX-AWEZNQCLSA-N 296.414 3.827 30 20 CHED N#CCCCOc1cccc(NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 103146086 LQRQELXWJXTMJQ-JYJNAYRXSA-N 282.387 3.993 30 20 CHED CCCCCCCCCNC(=O)N1CCCO[C@@H](C)C1 171296380 XBCZZKCDUZFOOH-HNNXBMFYSA-N 284.444 3.557 30 20 CHED C[C@H](C#N)CNC(=O)CC1CCC(c2ccccc2)CC1 171837956 RHCSBCUEJYQEHM-HPUBIQBYSA-N 284.403 3.626 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OC(C)C)c(OC)c1 57157990 QXQZBWLVUDLBOF-UHFFFAOYSA-N 291.391 3.521 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H](CC)c1ccccc1 101585642 HNIOLUCYZLGFRM-TZMCWYRMSA-N 263.406 3.562 30 20 CHED COC1(CNc2nc(C)c(C#N)cc2Cl)CCCCC1 461932096 BHAAUFUCHMMFNO-UHFFFAOYSA-N 293.798 3.676 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc(C)c1 104542991 JJHNQQGPXXUNAA-UHFFFAOYSA-N 272.392 3.787 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1C 105311262 PPAGLAZXMAEQKM-HOCLYGCPSA-N 272.392 3.573 30 20 CHED C=CCCC(=O)OCc1ccc(OCC(F)(F)F)cc1 102506264 NFCNAHHNRCJGCJ-UHFFFAOYSA-N 288.265 3.637 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1oc2c(F)cccc2c1C 56410075 BNYTURUHDJDJQD-SNVBAGLBSA-N 288.322 3.502 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)nc1 107672935 UTOXWZRXYXWHCA-UONOGXRCSA-N 269.735 3.575 30 20 CHED C=CCCCC(=O)Nc1cc(C2CCCCC2)nn1C 178226114 GRUJFFZANBFFAV-UHFFFAOYSA-N 275.396 3.763 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1ccc(C#N)s1 179910663 DYIPJDKMNXMIHG-GFCCVEGCSA-N 268.385 3.567 30 20 CHED C[C@H]1C[C@@H](CC(=O)N2CCC(C#N)CC2)CC(C)(C)C1 66642770 UVRRRYDPZRVAHU-ZFWWWQNUSA-N 276.424 3.601 30 20 CHED Cc1cc(F)ccc1CCNc1ccc([N+](=O)[O-])c(C#N)c1 301758042 AXSBFZIBSDYKHT-UHFFFAOYSA-N 299.305 3.569 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1 116860162 FGONYLQYAYGBNM-SECBINFHSA-N 272.175 3.617 30 20 CHED N#Cc1c(F)cccc1Nc1cccc(NC(=O)C2CC2)c1 301162699 UJXMQLYKGCVURL-UHFFFAOYSA-N 295.317 3.789 30 20 CHED C#CCCCCC(=O)N(Cc1ccc(CC)cc1)C1CC1 119563132 XUVIZOMNLCCMQN-UHFFFAOYSA-N 283.415 3.934 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NCc1cccc(C#N)c1 179394430 PYEKEHVDBOMVNT-IFXJQAMLSA-N 276.383 3.971 30 20 CHED Cc1cccc(C(C)(C)CNCc2cccc(C#N)c2)c1 63320098 SPCMPJHPVNFZHP-UHFFFAOYSA-N 278.399 3.934 30 20 CHED Cc1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1F 179945031 GZZZKRACVTYUSO-UHFFFAOYSA-N 297.333 3.670 30 20 CHED N#Cc1ccc2nc(N3CCc4ccccc4CC3)ccc2c1 301975273 LHZLSTBNWUXFLR-UHFFFAOYSA-N 299.377 3.712 30 20 CHED Cc1ccc(C2CC(NCc3cccc(C#N)c3)C2)cc1 37748846 ZDJIJPDJJWMGOP-UHFFFAOYSA-N 276.383 3.903 30 20 CHED N#C[C@@H]1CCC[C@]2(C1)N=C(C13CC4CC(CC(C4)C1)C3)NO2 1350106884 VOZZXUIJYNHWBM-YHCVTSQXSA-N 299.418 3.546 30 20 CHED COc1cccc(/C=C2\COc3cc(C)cc(C)c3C2=O)c1 63411694 FQVUIVITMLHSHC-OQLLNIDSSA-N 294.350 3.971 30 20 CHED C=C(C)Cn1nc(-c2cccs2)c2ccccc2c1=O 124394877 BKZCTNBLUCAQLE-UHFFFAOYSA-N 282.368 3.701 30 20 CHED CC(C)Cn1cc(/C=C/C(=O)c2ccc(F)cc2)cn1 180693680 VJAOLGBWHOHQTB-FPYGCLRLSA-N 272.323 3.574 30 20 CHED C#Cc1cccc(NC(=O)c2ccc3nc(C)ccc3c2)c1 124100678 VSKPFKOYTSTVFZ-UHFFFAOYSA-N 286.334 3.777 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H]2CCCC[C@@H]2C)cc1 303881284 KSSWKLYXZVQZDR-KBPBESRZSA-N 259.397 3.548 30 20 CHED C=CCC(CC=C)C(=O)NCCc1c[nH]c2ccccc12 120993621 DHQFSKZVAGKTBX-UHFFFAOYSA-N 282.387 3.595 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)CCCc1ccccc1 180872023 GZIQEJFRUFDJOB-LSDHHAIUSA-N 259.393 3.726 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc(F)c(Cl)c2)C1 185807576 VOXPZSNKBDDKKW-PWSUYJOCSA-N 266.747 3.651 30 20 CHED C[C@H](Nc1cnc(C#N)cn1)c1ccc(C(F)(F)F)cc1 121353264 LOEJXTZFCIYNPZ-VIFPVBQESA-N 292.264 3.540 30 20 CHED COc1ccccc1CN(Cc1ccc(C#N)cc1)C(C)C 123388317 YQJLJLYXCUJNDU-UHFFFAOYSA-N 294.398 3.977 30 20 CHED C=CCn1c(S[C@@H](C)CC)nc2sccc2c1=O 77907429 ZYQRKDQLXNGLJU-VIFPVBQESA-N 280.418 3.535 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CSc2ccccc21 210260429 VELQMWIAKPCSLR-XFXZXTDPSA-N 297.335 3.967 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC(C)(C)C)cc1 185662690 FTPPPFWAFJYQFT-UHFFFAOYSA-N 273.376 3.996 30 20 CHED N#Cc1cc(F)ccc1CSCC1(C#N)CCC1 419400229 KITARDNRITVARI-UHFFFAOYSA-N 260.337 3.624 30 20 CHED Cc1cccc2c1N(C(=O)c1cccc(C#N)c1C)CCC2 509116734 DUIDVZOZCYJQRS-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)cc1 187746087 COXMKGRHMVAMTC-AWEZNQCLSA-N 267.756 3.507 30 20 CHED CCc1c(NCc2cccc(C#N)c2)cnn1CC(C)C 127338222 QYZWVUKRSBVJGP-UHFFFAOYSA-N 282.391 3.585 30 20 CHED CC[C@@H](CC#N)NC(=O)/C(C)=C/c1ccccc1Cl 183877811 HDQYWWIDCRLUIY-NHAQELONSA-N 276.767 3.552 30 20 CHED C=C[C@@H](CC(=O)NCCCCOC(C)C)c1ccccc1 182355289 OTAYYCFFSFDYDB-INIZCTEOSA-N 289.419 3.668 30 20 CHED N#Cc1nnc2ccccc2c1SCc1ccccc1 77210528 ZYLIUUHCHPVCAZ-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(F)cc1F 500998824 NKWHXZRJSBERRY-UHFFFAOYSA-N 288.297 3.847 30 20 CHED C[C@@H](Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C#N)c1 37299306 PDCMCCXVHONZNA-SNVBAGLBSA-N 285.278 3.779 30 20 CHED Cc1cc(C)c(CCN[C@H]2CCC[C@@H](C#N)C2)c(C)c1 185865110 RSZOXEVYHWJKPX-SJORKVTESA-N 270.420 3.826 30 20 CHED N#CC1CCN(Cc2ccc(-c3ccccc3)o2)CC1 123657536 JZBFSMJWWHHLRB-UHFFFAOYSA-N 266.344 3.682 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 185845497 SXACRZXZJIOVKV-YQQAZPJKSA-N 294.402 3.605 30 20 CHED CC[C@@H](CC#N)NCc1cc(Cl)cc(Cl)c1OC 184089503 RUYNNQGIOXQINV-NSHDSACASA-N 287.190 3.784 30 20 CHED CSc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1 122335619 SSFNKNXJQOKJHK-LBPRGKRZSA-N 288.397 3.664 30 20 CHED CCCN(CCCSC)Cc1ccc(C#N)cc1 75626813 AEPCOSVDFSVBLY-UHFFFAOYSA-N 262.422 3.523 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C(C1CC1)C1CC1 126002664 PWWURFHWUZWMRB-UHFFFAOYSA-N 299.414 3.646 30 20 CHED Cc1cc(/C=C2/Cc3cc(O)ccc3C2=O)cc(C)c1O 187222658 SQQFRLNLPOGZKB-AUWJEWJLSA-N 280.323 3.537 30 20 CHED CCCC[C@@H](CC)C(=O)Oc1ccc(C#N)cc1OC 73966333 STMQWUGJQMBRTI-CYBMUJFWSA-N 275.348 3.689 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(OCCC)c1 188197522 DXCQTCZEJXXKFU-KRWDZBQOSA-N 291.391 3.643 30 20 CHED CCc1sc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1C 75276211 FZPRQKFZWYMXIT-GFCCVEGCSA-N 298.411 3.982 30 20 CHED CC(C)(C#N)CCN1CCC(c2ccccc2)CC1 157557969 QWAXISQXEXZEPT-UHFFFAOYSA-N 256.393 3.806 30 20 CHED CC[C@@H](c1ccccc1)[S@@](=O)CCC(C)(C)C#N 123532165 RLUVBKDDRUXFOG-KBXCAEBGSA-N 263.406 3.826 30 20 CHED N#Cc1ccc(CN(C[C@H]2C[C@H]3C=C[C@H]2C3)C2CC2)cc1 506547132 PAJWCYGFHMKOHX-OKZBNKHCSA-N 278.399 3.735 30 20 CHED C=C(C)CN1CCCC[C@@H]1c1nc2ccccc2o1 378148622 YIDWOXNNFXQARY-CQSZACIVSA-N 256.349 3.931 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)CCCc1ccccc1 46745967 SNXACHSXUXNJDB-UHFFFAOYSA-N 292.382 3.540 30 20 CHED CCN(Cc1ccccc1C)Cc1ccccc1C#N 603603227 XLJIHYCQIDHRQX-UHFFFAOYSA-N 264.372 3.889 30 20 CHED CN(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1cc(Cl)ccc1C#N 410560398 UVWNJEAPYLUELE-SUNKGSAMSA-N 288.778 3.611 30 20 CHED CC(C)(C/N=C/c1cc(Cl)ccc1O)c1ccncc1 131238746 NTCQKQJZEUNANQ-VXLYETTFSA-N 288.778 3.837 30 20 CHED COc1cc(C#N)ccc1CSCCCSC 413010579 UFKCRBUAYOYRLO-UHFFFAOYSA-N 267.419 3.553 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cnn(C(C)(C)C)c1 181119915 DQXWMORVZVIKCC-CYBMUJFWSA-N 298.390 3.541 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2nccs2)cc1 284996928 MWVPMZGPTMWZTD-OAHLLOKOSA-N 285.372 3.688 30 20 CHED CCCCN(C)C(=O)CSCCC1(C#N)CCCCC1 412996922 GBUZRKXLPWGIQA-UHFFFAOYSA-N 296.480 3.842 30 20 CHED CCN(CCC1(C#N)CCCCC1)CC(F)(F)F 411264360 MFAZWYWOVNEJSB-UHFFFAOYSA-N 262.319 3.735 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(CC#N)c1 49618346 QJEGMUHUSKCBRY-CYBMUJFWSA-N 296.345 3.725 30 20 CHED C=CCNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 133099711 FCJDUJUNUATHQX-UHFFFAOYSA-N 280.799 3.856 30 20 CHED N#C[C@@H](C(=O)c1ccoc1)c1nc(-c2ccccc2)cs1 41533421 ZHIHOFJODPTSAZ-ZDUSSCGKSA-N 294.335 3.893 30 20 CHED C=CCC[C@@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 320600581 FDNQOJAGUHIJHQ-HNNXBMFYSA-N 289.350 3.502 30 20 CHED CCCC1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 505788297 AIJWUHRTLCZHAR-CYBMUJFWSA-N 276.767 3.601 30 20 CHED C#CCCCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 192183856 RAFIKLYXGGDBRD-CQSZACIVSA-N 273.376 3.521 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(Cl)c1Cl 47465451 ASXNCWCNUYQXGW-UHFFFAOYSA-N 270.159 3.808 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCCC2)c(F)c1 190778980 ZEIARODJGUTLHC-QGZVFWFLSA-N 290.382 3.967 30 20 CHED N#Cc1c(Cl)nsc1NCC1(c2ccccc2)CC1 47405303 XDWLXIIZSORLPW-UHFFFAOYSA-N 289.791 3.812 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCC(C)(C)C1 425477255 CAQRNSGGQXTJRE-CJNGLKHVSA-N 299.418 3.839 30 20 CHED C[C@H](c1ccco1)N(CCOc1ccc(C#N)cc1)C1CC1 86235786 GKLRMIYCXFPTKX-CQSZACIVSA-N 296.370 3.756 30 20 CHED CCc1ccc(-c2ccc(CNCC3(C#N)CC3)o2)cc1 516560434 XGSUAHXGXJVQPS-UHFFFAOYSA-N 280.371 3.902 30 20 CHED CC(C)(C)c1n[nH]cc1/C(O)=N/[C@H]1CC12CCCCC2 329055299 XQIPJPKKRRJBJP-LBPRGKRZSA-N 275.396 3.735 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](CC)Cc1ccccc1 130374813 KMFGZCQDCUGRJC-KRWDZBQOSA-N 271.404 3.892 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1c[nH]c2cccc(Cl)c12 512098424 JNQVOAFYUGYLBQ-GFCCVEGCSA-N 290.794 3.835 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(CC(F)(F)F)cc1 428906390 LAIWJGSVRLYZIB-UHFFFAOYSA-N 299.296 3.559 30 20 CHED CCCCN(C)C(=O)c1sc2ccc(C#N)cc2c1C 429908709 MQLRENOPEIWFST-UHFFFAOYSA-N 286.400 3.954 30 20 CHED C=CCOc1ccccc1CN=c1[nH]c2cc(F)ccc2o1 511659538 UHFOVOCGTIVNGB-UHFFFAOYSA-N 298.317 3.566 30 20 CHED N#C[C@H]1CC[C@@H](NC2(c3cccc(Cl)c3)CC2)C1 335880806 YNIAXHOMAKJIAD-SMDDNHRTSA-N 260.768 3.611 30 20 CHED Cc1nccn1CCCCN(C)[C@@H](C)c1cccc(C#N)c1 425541998 XMCOUYDJSWRIFO-HNNXBMFYSA-N 296.418 3.536 30 20 CHED Cc1c(C#N)c(S[C@H](C)C(F)(F)F)nc2c1CCC2 427094013 RHZJDYLYMUOBJW-MRVPVSSYSA-N 286.322 3.793 30 20 CHED N#CCCN1CCc2ccccc2[C@H]1Cc1ccccc1 90635162 KVCFMBVXDRYNIC-LJQANCHMSA-N 276.383 3.742 30 20 CHED N#CCN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)C1CCCC1 513364899 BQQHBZWVUAFOFV-USXIJHARSA-N 288.435 3.888 30 20 CHED C[C@H]1CCC[C@@H](C)CN1CCCC1(C#N)CCOCC1 337197374 XAVDCYBQQMMICG-CVEARBPZSA-N 278.440 3.597 30 20 CHED Cc1ccc(C(C)(C)CNC(=O)C2(C#N)CCCCC2)cc1 330508683 ASFAUGNFBJKEGX-UHFFFAOYSA-N 298.430 3.863 30 20 CHED COc1ccc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)c(C)c1 331279091 AKGYKJZOURIKIB-CMPLNLGQSA-N 262.353 3.518 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(COCC)cc2)CC1 438858066 MZXYWPNGUKAAAQ-UHFFFAOYSA-N 288.391 3.653 30 20 CHED Cc1cc(Nc2nccc(C#N)c2Cl)ccc1F 235892307 YYDLIPSFAFDSHQ-UHFFFAOYSA-N 261.687 3.798 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccccn1 90665159 SIVYTLHAERNJOD-YOEHRIQHSA-N 265.360 3.777 30 20 CHED N#Cc1ccc(NCCCSc2ccccc2)nc1 247713209 LLCCUAGRLPQHDT-UHFFFAOYSA-N 269.373 3.548 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H](C(C)C)C1 432563453 SSHLWKIPQJNCRP-CQSZACIVSA-N 266.429 3.666 30 20 CHED C[C@@H](NCc1cc(C#N)cs1)[C@@H]1C[C@H]2CC[C@H]1C2 246257418 UIXKVTLWMVZXGY-MPXAEWJHSA-N 260.406 3.534 30 20 CHED CC[C@@H]1[C@H](C)CCN1Cc1ccc(O[C@H](C)C#N)cc1 249435203 KPHVLYRVXDRMGO-CKEIUWERSA-N 272.392 3.598 30 20 CHED C=CCCN(C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 342739627 PTDAXZYFGQLQHO-NSHDSACASA-N 291.782 3.959 30 20 CHED CC[C@@H]1CN(C[C@@H](C#N)CCC#N)CC[C@@H]1c1ccccc1 245425891 KWRRZJXLQOFLKL-LMMKCTJWSA-N 295.430 3.946 30 20 CHED C=CCSCc1nn(-c2ccc(F)cc2)c2c1CCC2 609633798 CCGGXLXPXWMGAU-UHFFFAOYSA-N 288.391 3.919 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)c1cc2ccccc2o1 341336278 BALRREBHTCDMGZ-NSHDSACASA-N 263.300 3.873 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1nc(CCC)cs1 439390754 ZYEACYYAOAGBKH-SNVBAGLBSA-N 267.398 3.572 30 20 CHED CN(CCSCc1cccc(C#N)c1)Cc1ccccc1 433020531 SQTNCDLFDJSUQK-UHFFFAOYSA-N 296.439 3.923 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1ccoc1)c1ccccc1 340101351 CMNRZOVNRXSKPU-OAHLLOKOSA-N 269.344 3.598 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(Br)cc1F 344237595 XHKTXVVYFJQHIO-SECBINFHSA-N 297.171 3.543 30 20 CHED N#Cc1cnccc1/C=C/c1cc(Cl)ccc1F 349105154 GACGOADEAFQPCP-OWOJBTEDSA-N 258.683 3.916 30 20 CHED Cc1ccc([C@@H](NCc2cccc(C#N)n2)C2CC2)cc1 602509286 FGKRBPJDYBFOFM-GOSISDBHSA-N 277.371 3.503 30 20 CHED Cc1csc(C2(NC[C@@H](C)CCC#N)CCCC2)n1 602548938 AJMTWZHEJOFHRL-LBPRGKRZSA-N 277.437 3.750 30 20 CHED Cc1cc(/C=C\C(=O)c2ccsc2)cc(C)c1O 255169828 HGUMPRQKVVTWGL-ARJAWSKDSA-N 258.342 3.967 30 20 CHED CCc1noc(-c2ccc(C)c(NC[C@H](C)CCC#N)c2)n1 602495594 GEQMVVBFALOXSX-GFCCVEGCSA-N 298.390 3.959 30 20 CHED C[C@@H](CCC#N)CNCc1cccc(C(F)(F)F)c1 602498445 KEEKMKINHIOLMO-NSHDSACASA-N 270.298 3.735 30 20 CHED C[C@H](CCO)C1(CNc2cc(Cl)ccc2C#N)CCC1 342818615 XDNOIKTXGAEENY-GFCCVEGCSA-N 292.810 3.812 30 20 CHED C=CCC1(c2nc(-c3ccc(CN(C)C)cc3)no2)CCC1 345696147 NXBRHYMDRYJIOA-UHFFFAOYSA-N 297.402 3.796 30 20 CHED Cc1ccc(C)c(C(=O)CSc2cc(C#N)ccn2)c1 340962817 JGBVEYXGLGOSQL-UHFFFAOYSA-N 282.368 3.545 30 20 CHED C=C(C)CCc1noc([C@H](c2cccnc2)C(C)C)n1 347218991 OTSGLYKNRNGQTJ-HNNXBMFYSA-N 271.364 3.761 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)CC2(C)CC2)cc1 430071159 LWSAKMHTCNHKFT-UHFFFAOYSA-N 286.375 3.522 30 20 CHED COc1cc(NC[C@@H](C)CCC#N)ccc1Cl 602640977 SXGHLHUCUZUNMC-JTQLQIEISA-N 252.745 3.700 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H]2CC[C@@H](C#N)C2)cc1 442776865 HTBXYPWUOLYUAS-OWYHZJEWSA-N 298.430 3.745 30 20 CHED N#Cc1cccc(NC(=O)N2CCCC3(CCCC3)C2)c1 527329284 GOBNYDSMTZAQFB-UHFFFAOYSA-N 283.375 3.746 30 20 CHED N#Cc1ccc(CNCc2ccc(F)c(Cl)c2)cc1 53155507 RBACMZBWQHIWOK-UHFFFAOYSA-N 274.726 3.641 30 20 CHED CC(C)N(Cc1ccc(CC#N)cc1)CC1CCC1 444773490 RGUIEKYLPHDBLO-UHFFFAOYSA-N 256.393 3.763 30 20 CHED C=CCOc1ccc(C(=O)N2C3CCCC2CCC3)cc1 607867576 SJNLHZBQJBAQRD-UHFFFAOYSA-N 285.387 3.799 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](C)Sc1ccccc1Cl 608816829 ZTWNWMCXZGMKNX-MNOVXSKESA-N 296.823 3.629 30 20 CHED N#CCCCCCc1nc([C@@H]2CCCCS2)no1 350180255 HNWSJOWJBDHHHQ-NSHDSACASA-N 265.382 3.654 30 20 CHED CC[C@H](NC[C@@H](CC(C)C)N(C)C)c1ccc(C#N)cc1 447539355 GVDIFOPNTGDJTC-MSOLQXFVSA-N 287.451 3.575 30 20 CHED Cc1c(C#N)cccc1NCCCCC1CCOCC1 538611403 LKMRILCZZUUOHM-UHFFFAOYSA-N 272.392 3.876 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](CO)c1cccc(F)c1 449145266 WQSDKIGTAXWSDS-CJNGLKHVSA-N 265.372 3.584 30 20 CHED CC(C)CN(Cc1ccn(C(C)C)n1)c1ccc(C#N)cc1 533039214 PBJNPQGCODYRLA-UHFFFAOYSA-N 296.418 3.998 30 20 CHED C=CCC[C@H](NCCc1nc(C)oc1C)c1ccco1 353399825 DOAGGPHWHFEXSZ-HNNXBMFYSA-N 274.364 3.724 30 20 CHED CC(C)(C#N)CCN[C@@H](c1ccccc1)C(F)(F)F 538465753 PWUIRYRSSJMCEW-LBPRGKRZSA-N 270.298 3.819 30 20 CHED CCc1nc([C@@H](C)Nc2cccc(F)c2C#N)cs1 264747255 LPICHPNZXJZHPX-SECBINFHSA-N 275.352 3.889 30 20 CHED Cc1ccc(C#N)nc1N1CCC(c2ccccc2)CC1 611398971 SGRCWMKCWYSHFN-UHFFFAOYSA-N 277.371 3.646 30 20 CHED N#CCCN(Cc1ccco1)Cc1ccnn1C1CCCC1 449002392 KNHYTNLMTWSNOU-UHFFFAOYSA-N 298.390 3.507 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCc2cccc(Cl)c2)C1 442849790 CPKIBCLZIQWBEK-UKRRQHHQSA-N 262.784 3.554 30 20 CHED Cc1cc(N[C@H]2CCc3cc(C#N)ccc32)ccc1[N+](=O)[O-] 618693204 BPFSBCXCQIWCEP-INIZCTEOSA-N 293.326 3.874 30 20 CHED CC1(C)C[C@@H]1c1noc(C2(c3cccc(C#N)c3)CC2)n1 355870985 FRBUIYGLYUFKKA-CYBMUJFWSA-N 279.343 3.535 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCOCC2(CCCC2)C1 615446181 DXOXWWAAHGRZNS-HNNXBMFYSA-N 284.403 3.512 30 20 CHED CCC1(C(=O)N[C@@H](C)c2cccc(C#N)c2)CCCC1 610685002 STJBZGZJSGXYIU-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@H](C)c1ccc(F)cc1 538610725 QIIUUMKFJOPMMQ-WFASDCNBSA-N 278.371 3.583 30 20 CHED N#C[C@]1(F)CCN(Cc2ccc(F)c(Cl)c2Cl)C1 617852705 HRCZJSJMYYAEJD-GFCCVEGCSA-N 291.128 3.570 30 20 CHED Cc1cccc(OCCN(C)[C@H](C)c2ccc(C#N)cc2)c1 533241749 LQVMLVIBVIVWMK-MRXNPFEDSA-N 294.398 3.939 30 20 CHED Cc1cnn(CCCCCN[C@H](C)c2cccc(C#N)c2)c1 611387901 VEWRMRMQIRFNPE-MRXNPFEDSA-N 296.418 3.584 30 20 CHED CC(C)c1cccc(NC(=O)N2CCC[C@@](C)(C#N)C2)c1 612294300 FDHAKCNUGYGQSL-KRWDZBQOSA-N 285.391 3.968 30 20 CHED C=C(C)COCCN[C@H]1CCCOc2c(C)cc(C)cc21 358292432 VUERMBIXRFBESY-KRWDZBQOSA-N 289.419 3.699 30 20 CHED CC(C)OCc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 442876963 SXVQBXJFRWMDMD-GDBMZVCRSA-N 258.365 3.716 30 20 CHED C=CCCOCCCCC(=O)N1CC=C(c2ccccc2)C1 354999948 WFWMZOWFQCGDSH-UHFFFAOYSA-N 299.414 3.675 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc2ccccc2c1 457814167 HQAXRFHRQTZHRP-UHFFFAOYSA-N 268.360 3.567 30 20 CHED C=CCCc1noc(C[C@H](C)c2ccc(F)cc2F)n1 453238995 RAAUHBWWOQEKGN-JTQLQIEISA-N 278.302 3.813 30 20 CHED N#C[C@H](C(=O)c1cccs1)c1cc(C(F)(F)F)ccn1 362180407 GPACCUQTFDODGQ-VIFPVBQESA-N 296.273 3.652 30 20 CHED C[C@@]1(C#N)CCCN(c2nccc3ccc(F)cc23)C1 612107463 RDSSDJAOUAWMSN-INIZCTEOSA-N 269.323 3.504 30 20 CHED CC(C)[C@@H](NCC1(C#N)CC1)c1ccc(Cl)cc1 539459397 AXGKOTYUWWLHON-CQSZACIVSA-N 262.784 3.930 30 20 CHED Cc1ccc2c(c1)CN(c1ncc(Cl)c(C)c1C#N)C2 360264190 COZLWWUELZXOOM-UHFFFAOYSA-N 283.762 3.744 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2CC[C@@H](C)C2)c1 360113362 BXVYZUQNNUXEPE-YPMHNXCESA-N 256.349 3.609 30 20 CHED CCN(CCC#N)Cc1c(F)cc(C)cc1Cl 459314250 QJUQJPKOEAYJTB-UHFFFAOYSA-N 254.736 3.523 30 20 CHED C=CCC(C)(C)CNC(=O)N1[C@@H](CC)CC[C@H]1C 458815780 YTVJKVAOGGLNDS-OLZOCXBDSA-N 252.402 3.561 30 20 CHED C=C(CC)CNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 455548632 WJORUDFNTYQGER-CQSZACIVSA-N 278.783 3.763 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)Sc1ccccc1Cl 362598111 BKPZODBGYCIEKO-UWVGGRQHSA-N 269.797 3.511 30 20 CHED C[C@H]1CN(C(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccccc1 270333881 MHKCDWJTRWLDLN-KSSFIOAISA-N 290.366 3.586 30 20 CHED CC(C)c1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)on1 611465704 DPWSPLBUFJVZOZ-NSHDSACASA-N 287.338 3.660 30 20 CHED Cc1ccnc(N[C@H](COCC(C)C)c2ccco2)c1C#N 273377983 SNYWBHQMEHROPW-OAHLLOKOSA-N 299.374 3.681 30 20 CHED Cc1csc(CCNc2c(Cl)cccc2C#N)n1 610273080 KGVMAKQBBBSIIC-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CC(C)(C)[C@@H](NC(=O)NCCCC#N)c1ccc(F)cc1 273241999 WZPSQEGUTHQBEN-AWEZNQCLSA-N 291.370 3.516 30 20 CHED CCSCc1ccc(NC(=O)N(C)C[C@@H](C)C#N)cc1 455850462 BSKWHRCLCKVNBQ-LBPRGKRZSA-N 291.420 3.563 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1csc(C2CCCC2)n1 451675774 RAEJZPQOSBVOIU-CABCVRRESA-N 292.448 3.624 30 20 CHED C=CC[C@@H](CC)Nc1ccc(-c2nc(O)cc(CC)n2)cn1 368185767 WEELAJODPDKGDU-CYBMUJFWSA-N 298.390 3.573 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1CCC[C@H]1c1ccccc1 450468717 OXRUSYHKGSKFJL-HOTGVXAUSA-N 257.377 3.605 30 20 CHED CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(C#N)cc1 278765400 OXTPDCJHUWTHEL-DOMZBBRYSA-N 297.406 3.602 30 20 CHED CCc1ccc(NC(=O)CCCC#N)cc1Cl 360663068 CHXKOLOCXMBRCQ-UHFFFAOYSA-N 250.729 3.535 30 20 CHED Cc1ccc2c(CC(=O)N[C@](C)(C#N)C(C)(C)C)coc2c1 545919817 WRGVHGNHCRDBHI-GOSISDBHSA-N 298.386 3.728 30 20 CHED C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)C1CC1)OCC 270045092 PKRVGSRHFUGUKN-QGZVFWFLSA-N 287.403 3.549 30 20 CHED CC1(C)CCC[C@@H](C(=O)NCc2ccc(C#N)c(F)c2)C1 456834680 JQVZXDQTHNCURY-CYBMUJFWSA-N 288.366 3.530 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(F)cc(F)c1 540484856 SMUHRWRSUCWFKO-SNVBAGLBSA-N 268.307 3.831 30 20 CHED CC(=O)c1ccc(C#N)c(NCCC[C@H]2CCCCO2)c1 273713397 FQIARXFMIURDHR-MRXNPFEDSA-N 286.375 3.522 30 20 CHED CCc1ccccc1-c1noc(-c2ccc(C#N)s2)n1 546315149 YCEKHYQGKMYTLT-UHFFFAOYSA-N 281.340 3.899 30 20 CHED C=CCC(CC=C)C(=O)NCC(C)(C)c1ccc(C)cn1 628719817 VUMWOQWZZQQLTF-UHFFFAOYSA-N 286.419 3.552 30 20 CHED C#Cc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1 377551653 ZEYXGAUFTQIZAJ-NRFANRHFSA-N 298.389 3.942 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)CC(C)(C)C#N)c1 279387284 YKGAYGOLIWXCOE-OAHLLOKOSA-N 270.376 3.598 30 20 CHED N#Cc1cccc(C(=O)N2CC3(CCC3)c3ccccc32)c1 375455440 CYCSEGNBXLNYIL-UHFFFAOYSA-N 288.350 3.640 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 467413976 PRPZTTCPAITOJB-TZMCWYRMSA-N 292.379 3.999 30 20 CHED C=CCC1(NCCc2cncs2)CCCCC1 625934569 SFRADGWJVQVCKF-UHFFFAOYSA-N 250.411 3.554 30 20 CHED CCC[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C(C)C 464168243 GWASNODMBQJGQI-WFASDCNBSA-N 252.402 3.503 30 20 CHED C=CCCN(C)C(=O)NCc1cccc(OCCCC)c1 466976268 IGOQAKGNAMONMR-UHFFFAOYSA-N 290.407 3.583 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(F)c1SC 622905246 YZFDDOIPKAZUQK-OAHLLOKOSA-N 297.395 3.715 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@@H]2CCC[C@@H](C)C2)no1 288997710 SQFQRDHRBUXOFK-MWLCHTKSSA-N 271.320 3.803 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)cc(Cl)c1 465167121 JNFSDWYAVWQHJZ-ZETCQYMHSA-N 259.136 3.689 30 20 CHED N#CCC[C@@H](C#N)COc1cccc(-c2nccs2)c1 280450893 KWEJWSWLUJZBFN-LBPRGKRZSA-N 283.356 3.632 30 20 CHED C=C[C@@H](C)NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 464756234 JTYLMWXRCKDZBD-GFCCVEGCSA-N 290.794 3.713 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(C(C)(F)F)cc1 559368914 BTGHSIRNZZOPLX-HNNXBMFYSA-N 294.345 3.856 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccccc1Nc1ccccc1 469879541 FZXVMFPLAKOPPR-SFHVURJKSA-N 296.370 3.696 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C/C=C/Cc1ccccc1 635866723 KAHFKDOGVUZWRE-DKRLNXSXSA-N 269.388 3.743 30 20 CHED Cc1cc2sc(C(=O)N(CC#N)C3CC3)c(C)c2cc1C 469116158 WTVNTLAOIDZXSX-UHFFFAOYSA-N 298.411 3.955 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)[C@@H](C)COC 462313839 JKGAVWGPNZWZDL-HOTGVXAUSA-N 289.419 3.510 30 20 CHED N#Cc1ccc(Oc2ncc([N+](=O)[O-])s2)c2ccccc12 559011825 ZQQBEDQLDNFQRQ-UHFFFAOYSA-N 297.295 3.868 30 20 CHED N#Cc1cc(NCCCOc2ccc(F)cc2)ccc1F 462246798 LQUKZMPNEBFXTE-UHFFFAOYSA-N 288.297 3.717 30 20 CHED C=CCC[C@H](NC[C@@]1(C)CCO[C@@H]1C1CC1)C1CC1 468044959 NYSKJFRDKHBDKI-GVDBMIGSSA-N 263.425 3.526 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CCCC[C@H]1CC 460557101 HZLFKTCPHWMCKP-OAHLLOKOSA-N 290.455 3.822 30 20 CHED CCC[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C(C)C 464168241 GWASNODMBQJGQI-IUODEOHRSA-N 252.402 3.503 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC=C(c2ccccc2)C1 284803119 HEGHVXGUAWQFRJ-GOSISDBHSA-N 269.388 3.905 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2sccc2Cl)C1 285427338 HDQXMKLIRXDMDM-RNCFNFMXSA-N 282.796 3.604 30 20 CHED C=CCCCCNC(=O)c1ccc(COC(C)C)cc1 471680519 VBEYNSXLUIOJMK-UHFFFAOYSA-N 275.392 3.698 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(CO)c(C)o1)c1ccccc1 632002621 ZVTJZCIKGFABMW-MRXNPFEDSA-N 299.370 3.518 30 20 CHED N#Cc1ccc(CNc2ccc([C@H]3CCOC3)cc2)c(F)c1 293174730 WIERKJMWZVVPPL-INIZCTEOSA-N 296.345 3.813 30 20 CHED CC(C)(C#N)CCN1CC[C@](F)(c2ccccc2F)C1 555078671 RCPWXBUZCZVDSI-MRXNPFEDSA-N 278.346 3.636 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(O)c3ccccc23)c1 807580188 NJBGCWAIJXZNNY-UHFFFAOYSA-N 288.306 3.669 30 20 CHED C[C@H]1/C(=C2/COc3ccc(F)cc32)C(=O)c2ccccc21 809159014 GGCXNTBQLJKHLU-OZEUQTTQSA-N 280.298 3.972 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C)c1noc(C)n1 299224913 IVZCMHZBIYXSHL-LBPRGKRZSA-N 263.385 3.507 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 292609181 BDSSAIRETPZRJM-UHFFFAOYSA-N 285.309 3.665 30 20 CHED C=C(CNC(=O)c1cc(F)ccc1Cl)c1ccccc1 644917260 CLBYXIFEDIEHDU-UHFFFAOYSA-N 289.737 3.922 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1=CCCCC1 296739937 HPRMDHNSLCRQPO-ZDUSSCGKSA-N 299.374 3.599 30 20 CHED C#CCCc1noc(C(C)(C)c2cccc(Cl)c2F)n1 809396933 SCUSITCLTUFMNR-UHFFFAOYSA-N 292.741 3.754 30 20 CHED N#Cc1cccnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 561358578 HRIBNFRYVPEVMO-RCCFBDPRSA-N 289.382 3.726 30 20 CHED CCc1nocc1CN(C)Cc1ccccc1C(C)(C)C#N 293482663 RYFBGCQQARDQKF-UHFFFAOYSA-N 297.402 3.670 30 20 CHED C=CCC(C)(C)c1noc([C@H]2Cc3cc(F)ccc3O2)n1 645623864 XVLOOZGKZJEREK-CYBMUJFWSA-N 288.322 3.739 30 20 CHED C#C[C@H](C)N[C@@H](C)CCCOc1ccc(Cl)c(C)c1 809684116 OMHGLLUXEPEZFF-KBPBESRZSA-N 279.811 3.807 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@H]2C 297698663 FSPJGPUDBSBFEX-RKDXNWHRSA-N 262.378 3.654 30 20 CHED C=CCC[C@H](O)CN[C@H]1CCCC[C@@H]1C(C)(C)C 472660748 RCIJZNDCRFZSHW-KKUMJFAQSA-N 253.430 3.508 30 20 CHED CCCNC(=O)CCCSc1ccc(C#N)cc1Cl 298123365 ADBNWCCBIKHMKT-UHFFFAOYSA-N 296.823 3.610 30 20 CHED C#Cc1cc(F)c(NCc2ccc(F)cc2)c(F)c1 802744441 PRWGNQUYNLCPJE-UHFFFAOYSA-N 261.246 3.697 30 20 CHED CC[C@H](N[C@H](C)C[C@@H]1CCCO1)c1ccc(C#N)cc1 565931663 DJHIZUDHFOKJQR-COXVUDFISA-N 272.392 3.557 30 20 CHED Cc1cccc(-c2nnc([C@H](C)N(C)CC(C)(C)C#N)o2)c1 814669964 ZAHRZCPXVYEUMC-ZDUSSCGKSA-N 298.390 3.588 30 20 CHED C=CCCCCCCCNC(=O)Cn1ncc2ccccc21 810771574 VLONRGYYUDWGGQ-UHFFFAOYSA-N 299.418 3.679 30 20 CHED Fc1ccc2c(c1)CCCC2=NOC/C=C\Cl 811668872 USAYGBNVBMAQAL-GIWJDWNJSA-N 253.704 3.635 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C)c1 488325372 WELGBAGAZVYRIW-ZDUSSCGKSA-N 262.328 3.707 30 20 CHED C[C@H]1C[C@@H](NN=C2CCCCC23CCCC3)CCO1 814898577 ZHMDGZYDDVAHCM-KBPBESRZSA-N 264.413 3.634 30 20 CHED C=CCCCS(=O)(=O)N[C@@H](c1ccccc1)C(C)(C)C 489112005 BZTHDXMVFCQZMM-HNNXBMFYSA-N 295.448 3.659 30 20 CHED C#CCCCCN[C@@H](Cc1ccncc1)c1cccs1 818333802 GXKYBOQVQYHZRA-INIZCTEOSA-N 284.428 3.820 30 20 CHED CCCCCCCCCNC(=O)[C@H](F)C(F)(F)F 810042821 KQYWTEXTLFVEPP-JTQLQIEISA-N 271.298 3.754 30 20 CHED COc1ccccc1CON=C1CCC[C@H]1C(C)(C)C#N 814924179 WFGUVWXSAJNFIB-CQSZACIVSA-N 286.375 3.918 30 20 CHED COc1ccc2c(c1)C(=NOC/C=C\Cl)CCS2 811671605 HVJYNNFBRNWJBJ-CMGPEIMZSA-N 283.780 3.664 30 20 CHED CC(=NNCC(C)C)c1nc(-c2ccccc2)cs1 814891847 BQNJMZJIWSMNFU-UHFFFAOYSA-N 273.405 3.780 30 20 CHED COc1ccc([C@H](C)C(C)=NNC[C@H]2CCSC2)cc1 811657430 NMOQZMCPFVYLAD-TZMCWYRMSA-N 292.448 3.517 30 20 CHED C=C(C)CNC(=O)N(Cc1cccc(C)c1)CC(C)C 488552764 CPWGBITYWAGWKS-UHFFFAOYSA-N 274.408 3.739 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CCC[C@@H]1C 488974982 HBDVTGBUNDCGEK-KBXCAEBGSA-N 286.419 3.504 30 20 CHED CC(C)CON=Cc1ncc(-c2ccccc2)s1 811645456 NASJANAMKVLCOE-UHFFFAOYSA-N 260.362 3.817 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)s1 811688236 NQFBGIAYDARBMP-SREVYHEPSA-N 271.316 3.963 30 20 CHED N#Cc1ccc(CNN=C2CC[C@@H](c3ccccc3)C2)cc1 814880973 HJEIGEZBRRGWPW-GOSISDBHSA-N 289.382 3.972 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)c1cccc(C)c1 489720444 XJNKGMRVDCFBKG-CQSZACIVSA-N 259.393 3.817 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc1 578391811 AJPVMJAWLBVGMR-KRWDZBQOSA-N 270.376 3.587 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccc(CC(C)C)cc1 726070035 ZIFHIYNPTZVUAB-KRWDZBQOSA-N 270.825 3.886 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(O)cccc1Cl 820559782 ZARGNPQEAYKMQH-VIFPVBQESA-N 253.729 3.586 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C(\C)c1ccccc1Cl 727376745 UQFBPENISOKJMD-LMMOQWNQSA-N 276.767 3.552 30 20 CHED C=CCCNC(=O)Nc1cc(C)c(C)cc1Cl 667169522 JRIZPPSFOZGKPY-UHFFFAOYSA-N 252.745 3.654 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)c1cc(C)oc1C 499302691 UIULTTWCHJQCAN-ZDUSSCGKSA-N 299.370 3.952 30 20 CHED CC[C@H](NC1CC(C)(C)NC(C)(C)C1)c1cccc(C#N)c1 902728608 XTMVDRLLJAGSPI-KRWDZBQOSA-N 299.462 3.908 30 20 CHED CC(C)C#CC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 821126192 GQHQGXFNVPYPAJ-GFCCVEGCSA-N 297.320 3.884 30 20 CHED C#CCC(C)(C)C(=O)OCc1cc2nc(Cl)ccc2o1 821124286 VCXBTASWSWSURT-UHFFFAOYSA-N 291.734 3.574 30 20 CHED O=C([C@@H]1C[C@H]2CC[C@H]1C2)N(O)Cc1cccc2ccccc12 900091761 MAUYNOBTXHLPAD-DHSIGJKJSA-N 295.382 3.994 30 20 CHED C=C[C@](C)(O)C(=O)Nc1ccc(S[C@H](C)CC)cc1C 667674818 QTNRRRNLMXJPHE-WBMJQRKESA-N 293.432 3.761 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)CCCCCC#N 588621393 BSZWSBNYQDGFQS-GJZGRUSLSA-N 264.413 3.888 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cncs1 734744191 FNBSMYFMTVOMFT-UHFFFAOYSA-N 251.742 3.633 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@@H]2CCC[C@H]2C)cc1 581215186 RBABIBYDJNJZSX-COXVUDFISA-N 284.403 3.756 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](CC)CC(F)(F)F 664667924 BQVXJCJAGPZIAL-SNVBAGLBSA-N 280.334 3.761 30 20 CHED CC[C@@H](NCCCc1ncccc1C)c1cccc(C#N)c1 903009291 ZDQDWOYECQCYON-GOSISDBHSA-N 293.414 3.935 30 20 CHED CC[C@H](N[C@H](C)Cc1c(C)noc1C)c1cccc(C#N)c1 902811820 HOOZRVKLVLCHRM-XIKOKIGWSA-N 297.402 3.835 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(C)c1cccc(C#N)c1 584391038 ORDBZBYPMUGUSJ-ZBFHGGJFSA-N 270.376 3.737 30 20 CHED C#CC1CCN(C(=O)Nc2c(CC)cc(C)cc2CC)CC1 831769667 VGZSCZCHZYIEQB-UHFFFAOYSA-N 298.430 3.997 30 20 CHED C=CCOC(=O)c1ccccc1OCc1cccs1 730617513 JEYOWYYKNBPFHA-UHFFFAOYSA-N 274.341 3.670 30 20 CHED CC[C@H](NC[C@H](C)c1nccs1)c1cccc(C#N)c1 902952317 XABBLGWPTIKFHC-WFASDCNBSA-N 285.416 3.859 30 20 CHED Cc1cccc([C@H](C)[S@@](=O)CCC(C)(C)C#N)c1 584873897 UCDOJBBYWIQVDJ-UGSOOPFHSA-N 263.406 3.745 30 20 CHED C[C@@](C#N)(NC(=O)/C=C/c1ccccc1)C1CCCCC1 734239477 DQXSLGUCSCAKCH-HHNLSAEISA-N 282.387 3.679 30 20 CHED C[C@H](C(=O)N(O)Cc1cccc2ccccc12)C1CC1 901370239 VPQVCUXYSUBPQP-LBPRGKRZSA-N 269.344 3.604 30 20 CHED CC[C@@H](C)CC=NNc1oc(C(C)(C)C)nc1C#N 834948471 BWFHMGNZLWYTBP-SNVBAGLBSA-N 262.357 3.678 30 20 CHED C=CCCCCN1CCC[C@@H]1c1ccc(COC)o1 582222295 FGTQBRQVCIMLGJ-OAHLLOKOSA-N 263.381 3.919 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc2c(c1)CCO2 834874397 KURILWJFGLWKMD-HYXAFXHYSA-N 270.353 3.888 30 20 CHED C=CCCC(=O)OCc1ccc(OCc2ccncc2)cc1 733479004 HLHOCRFQQODUCW-UHFFFAOYSA-N 297.354 3.670 30 20 CHED CCCC(=NNc1ccc(C(=O)OC)cn1)C1CCCC1 834967128 TVWDOAPDJWCMJU-UHFFFAOYSA-N 289.379 3.626 30 20 CHED CCc1ncc(CON=Cc2ccccc2C(F)(F)F)o1 902688125 XRCFFSRICFIBAY-UHFFFAOYSA-N 298.264 3.807 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C 839848821 FFMDVAWHSDFEGR-ILXRZTDVSA-N 269.429 3.667 30 20 CHED N#Cc1cnc(Oc2ccc(C=O)cc2Cl)c(Cl)c1 734142031 YXAKFUXYAADZGC-UHFFFAOYSA-N 293.109 3.865 30 20 CHED C=CCCN1CCCc2cc(OC(F)F)ccc21 739902713 GUWRTTYSGWNHIZ-UHFFFAOYSA-N 253.292 3.617 30 20 CHED CC(C)c1ccoc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839063122 PUMYUCRWAUVPON-VXGBXAGGSA-N 261.321 3.642 30 20 CHED CCCCC[C@H](NC(=O)[C@H](C)C#N)c1ccccc1 736676812 VIONQZTUYCCZPZ-HIFRSBDPSA-N 258.365 3.584 30 20 CHED C=C(CNC(=O)c1ccccc1CC)c1ccccc1 672481371 PIVBTKDROSPJDB-UHFFFAOYSA-N 265.356 3.692 30 20 CHED C=CCCCOC(=O)CCC(=O)c1ccc(Cl)cc1 735528214 NDZOOOSOURNXMH-UHFFFAOYSA-N 280.751 3.812 30 20 CHED Cc1cc(C)c([C@@H](C)OC(=O)c2ccc(C#N)cn2)c(C)c1 730923023 UIIVIOJKQBRLJW-CQSZACIVSA-N 294.354 3.797 30 20 CHED N#CC1CCC(CNC(=O)N2CCCCCCCC2)CC1 836445513 KFPDXLMYXIQIDF-UHFFFAOYSA-N 291.439 3.682 30 20 CHED CC(=NNC(=S)Nc1cccc(Cl)c1C)C(C)C 916298935 POEYWXJMNZLEHO-UHFFFAOYSA-N 283.828 3.967 30 20 CHED C=CCCSCCNCc1c[nH]nc1-c1ccsc1 594959950 GOIJKZWEXZMONU-UHFFFAOYSA-N 293.461 3.537 30 20 CHED CCCCCCCC(=O)NC1CCC(COC)CC1 839851433 ICHXWKNBHPKAKR-UHFFFAOYSA-N 269.429 3.668 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCC(C)(C)c1ccccc1 594084129 ARSKUWXHXSDYOV-OAHLLOKOSA-N 272.392 3.505 30 20 CHED C=CCCCCC(C)=NNc1nc(O)c2ccccc2n1 834961453 MYNVDJKZEMGZHW-UHFFFAOYSA-N 284.363 3.870 30 20 CHED C=CCON=C1CC(c2ccc(Br)cc2)C1 835014696 KLALDWDDRMTUGR-UHFFFAOYSA-N 280.165 3.885 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 599527878 WHKHDUJJWIWOGC-QOKNQOGYSA-N 298.430 3.762 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842530858 BOMDGGYFKYEBGI-JONQDZQNSA-N 276.424 3.512 30 20 CHED CCC[C@H](C)CC(=O)O[C@@H](C)c1ccc(C#N)cc1 748677630 PWXZNIRBUZCURV-STQMWFEESA-N 259.349 3.989 30 20 CHED CC[C@H]1CCCC1=NNC(=S)Nc1ccccc1 916661246 LJSNCMGBZPRBDM-NSHDSACASA-N 261.394 3.539 30 20 CHED CCCCCCCC(=O)Nc1nc(SC)ns1 740745474 ZRUIQGUHXORHTR-UHFFFAOYSA-N 273.427 3.559 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCCSC1 748733739 CRIUWKBEFQAEKY-ZDUSSCGKSA-N 257.443 3.749 30 20 CHED CCCNN=Cc1cc(C)c(OCc2ccccn2)c(C)c1 915966087 WMLFBJXOUKVDCQ-UHFFFAOYSA-N 297.402 3.611 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCc1cccc(C)c1 599972409 WGANLFFKGOFCLA-HNNXBMFYSA-N 289.444 3.817 30 20 CHED COc1cccc(NN=C2CCc3ccc(F)cc32)c1 748780272 HQFSYRDJTLBJFS-UHFFFAOYSA-N 270.307 3.597 30 20 CHED CCOc1cccc(Cl)c1CN1CCC[C@H](CC#N)C1 595623652 WHHMARLRUCMLQP-CYBMUJFWSA-N 292.810 3.864 30 20 CHED C[C@@H]1[C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)CCC[C@H]1C 590754254 HPSMQCRTHFKRJD-FSZRXZPDSA-N 288.435 3.649 30 20 CHED C[C@H](CNC(=O)[C@H](C)Cc1ccc(C#N)cc1)C(C)(C)C 846876636 WBAGAFILCZUYNY-ZIAGYGMSSA-N 286.419 3.535 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C(/C)C(C)(C)C 742592249 MWJSPFTUBWRVCV-OWBHPGMISA-N 287.378 3.780 30 20 CHED C=C(C)COC(=O)c1ccc(F)c(C(F)(F)F)c1 743055044 XJKRBJAQVMPACN-UHFFFAOYSA-N 262.202 3.577 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCc3c(F)cccc32)cc1 594713185 YRMWIDQGOHLIID-GOSISDBHSA-N 280.346 3.517 30 20 CHED C=C(C)CCc1noc(-c2ncoc2-c2ccccc2)n1 685384947 APFZDDDESJGDGX-UHFFFAOYSA-N 281.315 3.900 30 20 CHED COCc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1 741844267 QYQIXTQSQHYPRV-YVLHZVERSA-N 278.351 3.964 30 20 CHED CCOc1ccc(NC(=S)NN=C(C)C2CCC2)cc1 747626963 CHDLUIFJISIBCA-UHFFFAOYSA-N 291.420 3.548 30 20 CHED COc1cc(C)nc(NN=C2CCC[C@H]2c2ccccc2)n1 747635220 UQRRNXKTRHCXGG-AWEZNQCLSA-N 296.374 3.529 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@](C)(C#N)CC(C)C)CC1 592606847 AORRCXZJMJWEEC-HOCLYGCPSA-N 262.397 3.567 30 20 CHED C=CCCSCCNC(=O)c1cc2occc2s1 597967913 IKLNNOHQAAHZDG-UHFFFAOYSA-N 281.402 3.533 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(C(F)(F)F)cc1 746577433 VQODTQPVQKLZGO-LLVKDONJSA-N 286.297 3.920 30 20 CHED Cc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)nc1C 591175285 HJORQVZNQUJERI-UHFFFAOYSA-N 294.402 3.875 30 20 CHED CCC(CC)NN=Cc1cccc(-c2ccccn2)c1 747750367 RTLMPAJIKRTEBN-UHFFFAOYSA-N 267.376 3.861 30 20 CHED C[C@@H]1CCc2sc(NC(=O)C(F)F)c(C#N)c2[C@@H]1C 844546950 BXRLJELIHORVOM-RNFRBKRXSA-N 284.331 3.509 30 20 CHED C/C(C=NNc1cc(Cl)nc(C)n1)=C/c1ccccc1 741765984 HFXQGKGESJVXHP-JYYYRDOUSA-N 286.766 3.940 30 20 CHED Cc1c(NN=C[C@@H]2CC[C@@H](C)C2)cccc1C(=O)O 844622573 GHAJOCXNBNCLEW-ZYHUDNBSSA-N 260.337 3.527 30 20 CHED CCn1cnnc1-c1cccc(N[C@H](C)CC(C)(C)C#N)c1 926052831 PPGMQLGZOQRQJI-CYBMUJFWSA-N 297.406 3.705 30 20 CHED CC[C@H](C)NN=Cc1oc2ccccc2c1Br 848409063 KLGWRCLGEAOSJV-VIFPVBQESA-N 295.180 3.917 30 20 CHED C=C(C)CCOC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 744303768 VDSCXTVCLFXVGZ-NEPJUHHUSA-N 266.287 3.578 30 20 CHED C=C(C)CNC(=S)N(C)[C@H]1CCC[C@H]1c1ccccc1 840847152 LKLFWCVMTLZBQI-HOTGVXAUSA-N 288.460 3.705 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)c1)c1ncc(C(C)(C)C)o1 747672925 LAJWRGLUZLUUML-LLVKDONJSA-N 298.342 3.762 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1csc(-c2ccco2)n1 925282286 FCCPZHLCHMLJCV-NSHDSACASA-N 289.404 3.821 30 20 CHED COc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1OC 921264152 PFYFSYUUMXIFCS-DHDCSXOGSA-N 294.350 3.835 30 20 CHED C#CCCCc1nc(C2(c3ccc(F)cc3)CCC2)no1 857093076 QCXIOROVFKCCRV-UHFFFAOYSA-N 284.334 3.635 30 20 CHED N#Cc1cc(/C=C2/CCc3cc(O)ccc3C2=O)ccc1F 756262049 QLEYIQIEWAGRMH-QPEQYQDCSA-N 293.297 3.615 30 20 CHED CCc1noc(C)c1C(C)=NNc1cc(F)ccc1C 853393449 HMJPCQGAUHXETJ-UHFFFAOYSA-N 275.327 3.829 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)C1CCC1 684277879 LFAYMCMTOVTBAE-HNNXBMFYSA-N 286.419 3.963 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C\c1ccccc1 851214533 RMXHTKVAJJYGQU-XPSMFNQNSA-N 257.333 3.571 30 20 CHED CC(C)c1cccc(N=Cc2cccc(O)c2O)c1 920943837 KCEZSZFQIOLNRC-UHFFFAOYSA-N 255.317 3.972 30 20 CHED C[C@H]1C[C@@H](NC(=O)/C=C/c2ccccc2C#N)CC[C@H]1C 754633600 XZCXWHVHHBUDSN-BXSXHLDNSA-N 282.387 3.512 30 20 CHED C=CCc1cc(OC)cc(CN(CC=C)C(C)C)c1O 754726997 DJTCGQAUFQXSAX-UHFFFAOYSA-N 275.392 3.526 30 20 CHED CCCc1ccccc1NC(=O)c1ccc(C#N)c(Cl)n1 752993881 ADLACAPVVREQJJ-UHFFFAOYSA-N 299.761 3.811 30 20 CHED CCn1ccnc1C=NNc1cccc2ccccc12 755679986 KBWBMXHBFQQXQH-UHFFFAOYSA-N 264.332 3.502 30 20 CHED CCSc1ccccc1CC(=O)OCC1(C#N)CCC1 923075911 SIOKSKQWALRTBL-UHFFFAOYSA-N 289.400 3.578 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1occ2c1CCOC2 851143592 MQTWCCCRKYFCTO-DOMZBBRYSA-N 290.359 3.644 30 20 CHED C=CCCCCCCNc1nc(C2CCOCC2)ns1 853621826 JTRDNADGIGIZQA-UHFFFAOYSA-N 295.452 3.981 30 20 CHED Cc1cc(Cl)cc2c1OCCC2=NNc1ccccn1 750923276 VESTXFRDORKGEY-UHFFFAOYSA-N 287.750 3.642 30 20 CHED C[C@H]1CC/C(=C\C(=O)Nc2ccc(C#N)c(Cl)c2)C1 753626574 QMPSXVONOAKWMY-VUBLIPMDSA-N 274.751 3.897 30 20 CHED COCC(C)(C)C=NOCc1ccc(C(F)(F)F)cc1 754964819 RSYGOAOTRRDCDW-UHFFFAOYSA-N 289.297 3.880 30 20 CHED C=CC(C)(C)CCOC(=O)CCCC1CCOCC1 851300169 LTKFMPPKPWSZJO-UHFFFAOYSA-N 268.397 3.729 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccc([C@@H](C)O)cc1 850426217 BIUDNKKOICJWIC-ZTFGCOKTSA-N 273.420 3.964 30 20 CHED CC(=O)c1cccc(OC(=O)CC2(C#N)CCCCC2)c1 850746415 HDZCAQRCKHLLKI-UHFFFAOYSA-N 285.343 3.659 30 20 CHED CC(C)(C)c1ncc(C=NOCC2CCC2)s1 853440167 VYAGHYMHEBIJFN-UHFFFAOYSA-N 252.383 3.591 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc3c(c2)CCN3C)c1 751527845 ZOCXQHDXHFQGRF-VQHVLOKHSA-N 293.366 3.584 30 20 CHED CC[C@@H](NCC1(CC#N)CC1)c1cc(F)ccc1OC 932468888 LVCUVMYEXPNXNR-CQSZACIVSA-N 276.355 3.569 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)cc(Cl)n1 933341307 ILCAVBRZJVKVLI-UHFFFAOYSA-N 280.799 3.862 30 20 CHED CC(C)O[C@H]1CC(=NNc2ccc(C#N)cc2)C1(C)C 764904469 KTLXIHUFRWCCBN-HNNXBMFYSA-N 271.364 3.550 30 20 CHED C=CCN(Cc1ccc2c(c1)COC(C)(C)O2)C(C)C 769434147 MYYZYSDTILKMLT-UHFFFAOYSA-N 275.392 3.728 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2ccc(C)c(C)c2)c1 763170985 KXCWBBNWQJULFV-SREVYHEPSA-N 284.311 3.579 30 20 CHED C#CCCCCN[C@H](CC)c1cccc(OC)c1OC 866305349 PKAMJWDRYWWLAE-OAHLLOKOSA-N 275.392 3.548 30 20 CHED C#CCOc1ccc(-c2nc([C@H](C)SCC)no2)cc1 762326963 ZFEUWHUVXQOZPB-NSHDSACASA-N 288.372 3.563 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCC[C@@H](C#N)C1 931288781 SQKVOHAFQCYDJW-AWEZNQCLSA-N 283.375 3.573 30 20 CHED C[C@@H](C=NNCC(F)(F)F)c1cccc(Cl)c1 769813193 CLFNWLFRHQHBCY-QMMMGPOBSA-N 264.678 3.581 30 20 CHED CC(CCC1CC1)=NNc1ccnc(Br)c1 769809706 FSNYMFANFSOEGO-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CCC[C@@H](C(=O)OCc1ccc(OCC#N)cc1)C(C)C 763846387 PXLCHXABZGQSOD-MRXNPFEDSA-N 289.375 3.704 30 20 CHED CSc1ccc2c(c1)CCCC2=NNCC(F)(F)F 769825846 XKZHDRQBMJMHDR-UHFFFAOYSA-N 288.338 3.601 30 20 CHED COc1cc(OC(=O)C(C)(C)C2CCCC2)ccc1C#N 767157688 VOIOWBYWBWMNDI-UHFFFAOYSA-N 287.359 3.689 30 20 CHED C[C@H](Nc1ccnc(C#N)c1)c1ccc(Cl)cc1 61812025 HCCHTXODFUJZIK-JTQLQIEISA-N 257.724 3.780 30 20 CHED Cc1cc(C=NNc2cnn(C)c2)c(C)n1C1CCCCC1 761869301 MIYGPAYKWUGNPB-UHFFFAOYSA-N 299.422 3.790 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(F)cc(F)c2O)ccc1C#N 766489760 GDKVZCFIDHMERP-HWKANZROSA-N 299.276 3.747 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cncs1)c1ccncc1 766017427 BTFWHIZZCMGODV-WCQYABFASA-N 259.378 3.506 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cnc(C)s1 761261028 JZDKCZUAQGTRPV-SNVBAGLBSA-N 259.378 3.526 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1cnc(C)s1 761267133 ODSJIVITZBRGRR-UHFFFAOYSA-N 285.294 3.705 30 20 CHED Clc1ccc2c(c1)C(=NNc1cncc(Cl)n1)CC2 762445918 AWXMUNZKFJGISK-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C[C@H](CCC#N)CNc1ccc(OC(F)F)cc1 876820683 QJUCKBIDBVTGFX-SNVBAGLBSA-N 254.280 3.640 30 20 CHED N#Cc1ccccc1CN1CCC[C@H]1c1cccs1 16340758 PECKUHGYZKCGTG-HNNXBMFYSA-N 268.385 3.957 30 20 CHED CCC[C@@H](CC)C(=O)[C@@H](C#N)c1nc2ccccc2o1 873498360 AAAFGARUPJFFHC-VXGBXAGGSA-N 270.332 3.830 30 20 CHED COC[C@@H](C)NN=C(CCc1ccc(Cl)cc1)C(C)C 777902943 OECFWAJBTCCXPM-CYBMUJFWSA-N 296.842 3.909 30 20 CHED C#CCCCCc1nc(-c2ccc(Cl)s2)no1 771326554 VTISAPZRYSQJAF-UHFFFAOYSA-N 266.753 3.798 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)c1 771445222 XFJAQGSFXUNHID-CQSZACIVSA-N 282.387 3.712 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1C[C@H](c2ccccc2)C1 879853534 MMKATVQWFXRJSC-SHTZXODSSA-N 257.377 3.651 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CC2(CCC2)Oc2ccccc21 877095180 PFAWZTAKTOFMTK-GOEBONIOSA-N 284.403 3.962 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ccc2[nH]ncc2c1 779820860 OTXFOLLCYSLKSJ-UHFFFAOYSA-N 294.358 3.716 30 20 CHED C[C@@H]1N(C(=O)c2csc(C#N)c2)c2ccccc2C1(C)C 1118788444 NRXXMQGMDRZHJJ-NSHDSACASA-N 296.395 3.946 30 20 CHED C#CCOc1ccccc1NC(=O)C=C1CCC(C)CC1 775941318 ZGJBNUFWXZCXKF-UHFFFAOYSA-N 283.371 3.774 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2C[C@H]3CC[C@H]2C3)c1 772983500 IYVJRNQVXVIMMY-SCNOPHJPSA-N 284.403 3.646 30 20 CHED C[C@H]1CC[C@H](c2nnc(COc3ccc(C#N)cc3)o2)CC1 1118422962 BTINXFOVRLDEHG-MQMHXKEQSA-N 297.358 3.814 30 20 CHED N#C[C@H](OC(=O)c1ccc(N)cc1Cl)C1CCCCC1 776381451 USDVXPOACYYZOV-AWEZNQCLSA-N 292.766 3.551 30 20 CHED C=CCCN(C)C(=O)c1cc(-c2ccc(CC)cc2)on1 879688637 IOJWUQGFAFIXNW-UHFFFAOYSA-N 284.359 3.552 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 876167278 OTIJLJFQAMJAAG-MNOVXSKESA-N 278.783 3.857 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cc1 776727337 WICMTTBZEUOORU-WTKPLQERSA-N 281.286 3.602 30 20 CHED Cc1ccc(F)cc1C=NNCCCc1ccccc1 777885890 NVSNBVPJPQJWPV-UHFFFAOYSA-N 270.351 3.690 30 20 CHED CC(C)c1nccnc1NN=C1C[C@@H](C)C[C@@H](C)C1 773091511 RVFDVYDQKBFBIA-TXEJJXNPSA-N 260.385 3.824 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)c1 776728844 NKTKKRKUCTYWSD-YVMONPNESA-N 295.313 3.740 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)CC1 889298250 RUEKRALFPAHVOW-YJBOKZPZSA-N 299.414 3.721 30 20 CHED C[C@H]1CCCCN1c1nccc(Oc2cccc(C#N)c2)n1 881745123 XWVYERXVXUVNPE-ZDUSSCGKSA-N 294.358 3.519 30 20 CHED COC(=O)c1ccc(NN=C(C)C[C@H](C)CC(C)C)nc1 779782425 JAQFJCFAFYAOAM-GFCCVEGCSA-N 291.395 3.728 30 20 CHED C[C@H]1CCCC(=NNc2nc(O)c3ccccc3n2)[C@@H]1C 781125958 XMWATYKDOMRAKP-WDEREUQCSA-N 284.363 3.559 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 887937435 VSOILJHYADGNOG-UHFFFAOYSA-N 276.336 3.752 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=S)Nc1ccsc1 782451154 LVWBFBIKBHPJKY-AWEZNQCLSA-N 299.424 3.594 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C[C@H]1CCCC[C@@H]1C 783836222 XDUHXKGQHOYNFM-NWDGAFQWSA-N 291.351 3.827 30 20 CHED CCCCCCCCN[C@H](c1ccccc1)c1nc[nH]n1 784357909 NKMZDXOSAGXSSP-MRXNPFEDSA-N 286.423 3.844 30 20 CHED CCC(Cc1ccccc1)=NNc1ncncc1Cl 780281067 FDVZSYKWCOAJQH-UHFFFAOYSA-N 274.755 3.551 30 20 CHED FC(F)(F)c1ccccc1C=NOCC[C@H]1CCCO1 786734034 IENNMFMFMAIAQZ-GFCCVEGCSA-N 287.281 3.625 30 20 CHED N#CCCCNC(=O)N[C@@H](c1ccccc1)C1CCCCC1 784184542 GTBAIMLQGOJTQL-KRWDZBQOSA-N 299.418 3.911 30 20 CHED Fc1ccc(C2=CCC(=NOC[C@@H]3CCOC3)CC2)cc1 788034371 QHIDQGUCUNFJHP-CYBMUJFWSA-N 289.350 3.802 30 20 CHED C=C1CCC(C(=O)N[C@H](C)CCCC(F)(F)F)CC1 890211258 AGJRITSEERFBSU-LLVKDONJSA-N 277.330 3.970 30 20 CHED C=CCCC(=O)OCc1cncc(OCc2ccccc2)c1 783375696 RLYJMULKBHNQTQ-UHFFFAOYSA-N 297.354 3.670 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CCC23CCCC3)o1 788712255 DCPFQVGGHRHQBE-UHFFFAOYSA-N 286.379 3.867 30 20 CHED C#C[C@@H](CC)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786492287 FADHGJXPOMWYFA-OLZOCXBDSA-N 269.344 3.617 30 20 CHED C[C@H](CCC#N)CNC(C)(C)c1ccc(F)cc1F 895854199 JACNYAUUOGUDNK-LLVKDONJSA-N 266.335 3.729 30 20 CHED C[C@@]1(C=NNc2cccc(F)c2F)CCCS1 793014815 DSHVUVGTGNOHEW-LBPRGKRZSA-N 256.321 3.648 30 20 CHED CC(CCc1ccco1)=NNc1cccc(Cl)n1 793180889 DLCOXUVBILESHP-UHFFFAOYSA-N 263.728 3.749 30 20 CHED Cc1oc(C#N)cc1C(=O)OCCCSC(C)(C)C 797957345 VUZOXZPZLNSTCA-UHFFFAOYSA-N 281.377 3.538 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)c(C)s1 187529317 YIUAZAKPZLFXBP-UHFFFAOYSA-N 278.421 3.909 30 20 CHED Cc1ccc(C(=O)NC[C@H](C)Cc2cccs2)cc1C#N 799342358 HHHNXRFVHUUQIF-GFCCVEGCSA-N 298.411 3.537 30 20 CHED CC(C)C(CN(CCC#N)Cc1ccco1)C(C)C 551805116 PJLXIFCOBAKLJJ-UHFFFAOYSA-N 262.397 3.923 30 20 CHED C=CC[C@@H](CC)NS(=O)(=O)/C=C\c1cccc(Cl)c1 798467704 IJOMEAFJIZCXIT-CFYYFVFUSA-N 299.823 3.585 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)CCCCCC 798048979 APOGOWAGCZVTBN-XHSDSOJGSA-N 296.455 3.626 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)[C@H](C#N)CCc1ccccc1 1137854955 KBIBZRKCPOPBQZ-BHYGNILZSA-N 284.403 3.548 30 20 CHED COc1c(C)cc(C(C)=NNc2ccccn2)cc1Cl 794869785 DCZQSJMBCHYFBJ-UHFFFAOYSA-N 289.766 3.888 30 20 CHED Cc1cccc(CCC/N=C/c2cc(Cl)ccc2O)n1 794682827 XUJDOMRYTXHUPB-WOJGMQOQSA-N 288.778 3.801 30 20 CHED C=CCNc1ccc(OCC(F)(F)F)c(Cl)c1 799970304 ZSSCTTSLKUJOID-UHFFFAOYSA-N 265.662 3.879 30 20 CHED CC[C@@H]1CCC[C@H](CN2CC(Oc3ccc(C#N)cc3)C2)C1 1206185681 CNJNOFQLOYXVCE-WBVHZDCISA-N 298.430 3.838 30 20 CHED C[C@@H](C=NNc1cccc(F)c1[N+](=O)[O-])c1ccccc1 790310717 MCVAJACXYOVXQT-NSHDSACASA-N 287.294 3.935 30 20 CHED C#CCCCOC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798787584 SOFPQBBSDZZWRX-NSHDSACASA-N 284.277 3.766 30 20 CHED C[C@H](NN=Cc1ccc2ncccc2c1)C(C)(C)C 793113111 ZHPJYZYZIIVMPI-LBPRGKRZSA-N 255.365 3.593 30 20 CHED CC(=NNc1ncccn1)[C@H](C)c1ccc(Cl)cc1 794492841 ZOSJGGZTKLCTSN-JTQLQIEISA-N 274.755 3.722 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccc(C#N)cc2)C1 598215286 HHMZDXOQSKMHGB-UHFFFAOYSA-N 270.376 3.601 30 20 CHED CCC[C@@](C)(CC)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 796617944 HHSCRFULHBEGLU-FZKQIMNGSA-N 297.402 3.966 30 20 CHED CCC(C#N)(CC)C(=O)NCC(C)(C)C1CCCC1 599708925 IIEHODKVYGDFDP-UHFFFAOYSA-N 264.413 3.649 30 20 CHED Cc1cc(OCc2scnc2C)c(C)c(C)c1C#N 581220612 PPFAVMLTGVKSKS-UHFFFAOYSA-N 272.373 3.827 30 20 CHED Cc1ccnc(NCC2(C)CCC(C)CC2)c1C#N 1639874887 RZCSYKXVECMYKP-UHFFFAOYSA-N 257.381 3.890 30 20 CHED N#Cc1cccc(-c2nnc(C=C(C3CC3)C3CC3)o2)c1 1322997903 YFTMHEDNGJWBLG-UHFFFAOYSA-N 277.327 3.812 30 20 CHED CC[C@H](C)N(C(=O)c1csc(C#N)c1)[C@@H](C)CC 1324990047 QKDKVPZSVXMHKI-QWRGUYRKSA-N 264.394 3.659 30 20 CHED CC[C@H](SC)C(=O)N(c1ccccc1C#N)C1CCC1 1331445511 GBGMFYXZGMFQOE-HNNXBMFYSA-N 288.416 3.585 30 20 CHED C[C@@H](NN=C1CCOC2(CCCCC2)C1)c1ccncc1 1331974753 BDIVCZYZQVDOJN-CQSZACIVSA-N 287.407 3.602 30 20 CHED CCCCCCCCOCC(=O)N1CC2CCC1CC2 1337149369 SVCVJUAWIPNLNX-UHFFFAOYSA-N 281.440 3.765 30 20 CHED CC(C)c1nc(N2CCC[C@H](C#N)C2)cc(C(C)(C)C)n1 1335550029 IHSFVDGUCLXVKE-CYBMUJFWSA-N 286.423 3.637 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1occc1Br 1336237379 AYPCYWVLAQILER-JTQLQIEISA-N 298.180 3.613 30 20 CHED CCC[C@@H](C(=O)OCC#Cc1ccccn1)c1ccccc1 1343695409 VIZRHQUAGSHDNW-GOSISDBHSA-N 293.366 3.560 30 20 CHED C[C@]1(C(=O)O[C@@H](CC#N)c2ccco2)C[C@@H]1c1ccccc1 1347948276 DNAFMVASCFVNJN-HFTRVMKXSA-N 295.338 3.971 30 20 CHED CC[C@H](CC#N)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1342572507 ZSBKVEAHRCSWSC-SNVBAGLBSA-N 289.766 3.552 30 20 CHED N#Cc1cccc(CC(=O)Nc2ccc(C(F)F)cc2)c1 1289393985 FWPXUDQTVCYNHO-UHFFFAOYSA-N 286.281 3.677 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1ccc(C)c(Cl)c1 1456187543 PADFEXGHLWQZCJ-UHFFFAOYSA-N 278.783 3.941 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1ccc(F)c(C#N)c1 1521031785 HHSCPGLBNXOZCX-NSHDSACASA-N 299.301 3.624 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1cc(C#N)cs1)C2 225267268 WARAKDFBHBQODO-NOLJZWGESA-N 274.433 3.924 30 20 CHED C[C@H]1CCC(C)(C)N1Cc1ccc(C#N)cc1OC(F)F 1460230267 ILKCSFXCPVHPKM-NSHDSACASA-N 294.345 3.923 30 20 CHED N#CCc1cccc(Nc2ncnc3ccsc23)c1 1612391738 OLZPEXURRROZQW-UHFFFAOYSA-N 266.329 3.501 30 20 CHED Cc1ccc(C)c(C=NNc2cccc(F)c2C(=O)O)c1 1610495365 BDPQHBAUCPYBDE-UHFFFAOYSA-N 286.306 3.587 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCc2cc(F)ccc21 1623179532 MXNIYUUBXBNVNR-UHFFFAOYSA-N 295.317 3.600 30 20 CHED COc1ccc(C)cc1CSc1cccnc1C#N 1641128400 MQOSWDJSWYXRDD-UHFFFAOYSA-N 270.357 3.563 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)O)C2 1573365246 DOJPRRYPVIOGDZ-ZJIFWQFVSA-N 294.439 3.632 30 20 CHED CCO[C@H]1C[C@@H](Nc2nccc(C)c2C#N)C1(CC)CC 1651574620 NFSYPVWPQIWOTH-CABCVRRESA-N 287.407 3.657 30 20 CHED C[C@H](OC(=O)c1ccsc1C#N)c1ccc(Cl)cn1 1585136346 JSOFOOYVJXADTQ-QMMMGPOBSA-N 292.747 3.586 30 20 CHED C=C(Cn1c(C)nnc1N(C)[C@H](C)CCC)c1ccccc1 1740797114 KTVKFGNHYKWZFR-OAHLLOKOSA-N 298.434 3.925 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@]1(C)CC(C)C 1583324675 WGLVGYZFNSUEEQ-SFHVURJKSA-N 284.403 3.908 30 20 CHED C[C@@H]1CCC[C@H](NCc2cccc(F)c2C#N)CC1 1664315633 KMFSGESLBMTNBP-OCCSQVGLSA-N 260.356 3.756 30 20 CHED CC(C)c1ccc(NCc2cccc(F)c2C#N)cn1 1660052060 UDHSBUWMSMBIOK-UHFFFAOYSA-N 269.323 3.828 30 20 CHED Cc1cccc2c1CC/C(=C/c1cc(C(=O)O)c(C)o1)C2=O 1777457373 OZAAYRACKIUHJS-WQLSENKSSA-N 296.322 3.807 30 20 CHED Cc1ccc(NN=Cc2cccc(C(=O)O)c2)cc1Cl 1776034826 BFGXAUZLHXWRTJ-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1csc(C)c1 1776088034 LPXRNBRWRODUGY-UHFFFAOYSA-N 288.372 3.899 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(C#N)cc1F 11459402 GHAPQVQSFYVHEE-UHFFFAOYSA-N 296.301 3.547 30 20 CHED CC(C)c1ccc(CN(C)c2ncccc2C#N)cc1 12812646 NPJLMGYOCPMCQT-UHFFFAOYSA-N 265.360 3.713 30 20 CHED C=CCN(C)C(=O)NCc1cccc(Oc2ccccc2)c1 162595132 QDEIPQRMBWBVJP-UHFFFAOYSA-N 296.370 3.806 30 20 CHED CC(C)CN(C(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 160603477 IYHIRNLJDDUTLD-QGZVFWFLSA-N 299.418 3.861 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(CC#N)cc1 151421988 XCOIWVLHMWJKOL-CYBMUJFWSA-N 296.345 3.709 30 20 CHED C=CCn1c(C)nnc1S[C@H](C)c1ccccc1C 153905679 UQAZPDFSVCHYSI-GFCCVEGCSA-N 273.405 3.934 30 20 CHED CC#CCCN1CCCCC[C@H]1C[C@H](O)c1cccs1 155979170 AOTWXQSTNVMHDF-HOTGVXAUSA-N 291.460 3.830 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1sccc1C#N 154388573 WUTPRDQXMHOMIM-GHMZBOCLSA-N 288.397 3.732 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1[N+](=O)[O-] 8322435 AHQGLEKDGQAPCF-BQYQJAHWSA-N 283.283 3.505 30 20 CHED C=C(C)CNC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 156882555 DCVQLQVNYRUALO-GFCCVEGCSA-N 295.452 3.853 30 20 CHED C=C(C)CN(CC)Cc1c[nH]nc1-c1ccccc1F 159000911 RTYJYKRPOJEUQT-UHFFFAOYSA-N 273.355 3.614 30 20 CHED C=C(Cl)COC(=O)c1csc2c1CCCC2 916609513 QEAYJDXEGPJXRY-UHFFFAOYSA-N 256.754 3.536 30 20 CHED CC(C)(C(=O)Nc1cccc(C#N)c1)C1CCCC1 155151620 PPFVDJYSKUJZJC-UHFFFAOYSA-N 256.349 3.713 30 20 CHED CC(C)c1cnn(Cc2ccc(C#N)cc2Cl)c1 402069884 MQXPHEOWRFAIJG-UHFFFAOYSA-N 259.740 3.580 30 20 CHED N#Cc1nccc(Sc2ccc3ccccc3c2)n1 312042320 WYTWANKNFWMIGZ-UHFFFAOYSA-N 263.325 3.653 30 20 CHED CC(C)[C@@H]1CCC[C@@H]1NCCc1cccc(C#N)c1 467453146 KBLFDBFKYHUQTF-IRXDYDNUSA-N 256.393 3.515 30 20 CHED C[C@@H](CCCC(F)(F)F)NCCc1cccc(C#N)c1 467448301 XDNKHEQAAPCHFT-LBPRGKRZSA-N 284.325 3.811 30 20 CHED N#C[C@H](NC(=O)C1CCCCCCC1)C1CCCCC1 86579676 CNOSLCORMBPVDS-INIZCTEOSA-N 276.424 3.936 30 20 CHED CCN(CCC1CC1)Cc1ccc(C#N)cc1Cl 386085773 LNXNMPFVNURUFC-UHFFFAOYSA-N 262.784 3.834 30 20 CHED C=CC[C@@H](CC)Nc1ccnc2c([N+](=O)[O-])cccc12 393739551 CYPPZVDBWKBVEO-LLVKDONJSA-N 271.320 3.910 30 20 CHED C(C[C@@H]1CCCCC12OCCO2)=NOCc1ccccc1 788709786 OWWGANYWQKCFDN-INIZCTEOSA-N 289.375 3.512 30 20 CHED C=CC1CCN(CCOc2cc(C)cc(C)c2)CC1 600680034 VAMFEXLAYFTLJN-UHFFFAOYSA-N 259.393 3.580 30 20 CHED C=C(C)CN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 108374411 AAMNVBFSSIISOM-UHFFFAOYSA-N 287.382 3.656 30 20 CHED C[C@@H](C#N)Sc1nccn1-c1cccc(Cl)c1 25243792 MVVWXKLSDFNPJG-VIFPVBQESA-N 263.753 3.530 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(F)cc1F 106421776 FIHNRENYMRDBCV-UHFFFAOYSA-N 280.318 3.557 30 20 CHED C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 104996981 MMUJHGCJVHXNQC-WFASDCNBSA-N 285.391 3.798 30 20 CHED C#Cc1cccc(NCC(=O)Nc2ccccc2C(C)C)c1 23901967 SVCFGHDPMMOXJQ-UHFFFAOYSA-N 292.382 3.842 30 20 CHED CCC1(CC)CCN(CCOc2ccccc2C#N)CC1 110265655 IBGUQLXSMUMSHS-UHFFFAOYSA-N 286.419 3.839 30 20 CHED C#CCN(C(=S)Nc1cccc(C)c1)C1CCCCC1 65705073 CWDHSFVNNPSGHV-UHFFFAOYSA-N 286.444 3.960 30 20 CHED CC(C)(C#N)CCCN1CCC(C(=O)c2ccccc2)CC1 174814242 YJASFUJKQQSABG-UHFFFAOYSA-N 298.430 3.911 30 20 CHED C#CCCSc1nnc(-c2cccc(C)c2)n1CCC 179259380 FXZUBGHQPXCWKD-UHFFFAOYSA-N 285.416 3.779 30 20 CHED CC[C@@]1(C)CN(c2ccc(C(F)(F)F)c(C#N)c2)CCO1 302689330 UWBIJGXYQMYLCE-AWEZNQCLSA-N 298.308 3.582 30 20 CHED N#Cc1ccc(CN(c2ccccc2[N+](=O)[O-])C2CC2)cc1 301302813 YPKCMSXPAPISAR-UHFFFAOYSA-N 293.326 3.635 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1cc(C)ccc1C 301459714 WTYWQWOJJYSIRR-UHFFFAOYSA-N 291.460 3.961 30 20 CHED C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1cccs1 171085134 YSDCUBVOLSOUCK-SECBINFHSA-N 289.335 3.642 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNC[C@@H]2CC=CCC2)c1 123013949 FWPNRHJDVPFPKQ-WBVHZDCISA-N 284.403 3.813 30 20 CHED C=C(C)CN1CCC(Nc2c(Cl)cccc2C#N)CC1 301389309 FPZPDDNFNISEBB-UHFFFAOYSA-N 289.810 3.664 30 20 CHED N#Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)c(F)c1 68938126 MLJJSLZQBUJLTI-MRXNPFEDSA-N 299.349 3.539 30 20 CHED N/C(=N/CCC1=CCCCC1)Nc1ccc2c(c1)CCC2 303702296 IUCXPOGUQPJYDW-UHFFFAOYSA-N 283.419 3.792 30 20 CHED CCCOc1ccc(CNc2ncccc2C#N)c(C)c1 302708668 WMPIFBFHPVJZGB-UHFFFAOYSA-N 281.359 3.663 30 20 CHED CCC(=CC(=O)Oc1c(Cl)cc(C#N)cc1OC)CC 177112871 SJSVBARETAWZSK-UHFFFAOYSA-N 293.750 3.872 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cnn(C(C)C)c2)c1 171982041 ZZFDNMJXBFQINR-AATRIKPKSA-N 268.360 3.977 30 20 CHED COc1ccc(C#N)cc1CN(C1CC1)[C@@H](C)c1ccco1 128047986 OXOGINODILKPGN-ZDUSSCGKSA-N 296.370 3.885 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(C)c(F)c1 354871080 XLTFSAIUQFBOLV-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCCCCc1ccc(Oc2nccnc2C#N)cc1 301193627 SWBBDOYQZBCUTO-UHFFFAOYSA-N 267.332 3.873 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)c1c(F)cc(C#N)cc1F 308729130 PTJCLFDBXSJHCB-QLJPJBMISA-N 292.329 3.535 30 20 CHED CC1CCC(CON=C2CCC3(CC2)OCCO3)CC1 183245857 BJRQGZMPGJESNW-UHFFFAOYSA-N 281.396 3.502 30 20 CHED CC[C@@H]1CN(C[C@H](C#N)CCC#N)CC[C@@H]1c1ccccc1 74798395 KWRRZJXLQOFLKL-SCTDSRPQSA-N 295.430 3.946 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(C#N)c2)s1 212177983 CTQZALJNYGZGHL-SREVYHEPSA-N 253.326 3.824 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(CSCC)c1 128788446 MKKYGZUQYSXUQS-CYBMUJFWSA-N 293.432 3.859 30 20 CHED CC(=O)[C@@H](C)SCc1ccccc1C(C)(C)C#N 121733825 ADIBVANYJIUGMJ-GFCCVEGCSA-N 261.390 3.698 30 20 CHED COC(=O)c1cc(F)c(C)c(OCCCC(C)(C)C#N)c1 123736779 BNOVPKMWONYHMH-UHFFFAOYSA-N 293.338 3.630 30 20 CHED CCc1ccccc1OCCC(=O)Nc1ccc(C#N)cc1 314238758 DGSOFMFVEFNYFG-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1cccc(Cl)c1Cl 183763904 VZWPIAWIYQCAML-MNOVXSKESA-N 288.218 3.971 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 75297807 JMNXILQRGOMMRU-RCCFBDPRSA-N 294.398 3.641 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(OCCC(C)C)cc1 127485634 HRQWQOYCWFEPJW-QGZVFWFLSA-N 288.391 3.534 30 20 CHED C=CC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 125405547 VEOIIGKHDPOOQV-UHFFFAOYSA-N 267.731 3.517 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1cc(F)ccc1F 414162757 HQVRKXOEYSKDNI-CQSZACIVSA-N 266.335 3.945 30 20 CHED Cc1cccc(C)c1OCCN(CCC#N)Cc1ccco1 78666696 NBCQSQSLBXYQCN-UHFFFAOYSA-N 298.386 3.691 30 20 CHED CN(CC1CCCC1)C(=O)c1cccc(SCC#N)c1 79537589 HIKGDORXNOMNEA-UHFFFAOYSA-N 288.416 3.564 30 20 CHED C=CCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 121244918 SACONFCFCGMCNZ-CABCVRRESA-N 296.414 3.523 30 20 CHED C[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)COCc1ccccc1 185804889 ZPSPRPIIWMYPGW-RYQLBKOJSA-N 286.419 3.511 30 20 CHED C=C(C)[C@@H](N[C@@H](C)COCC)c1ccc(F)c(F)c1 186454148 DGSLNGIZXRBFGA-XHDPSFHLSA-N 269.335 3.597 30 20 CHED COc1ccc(CNc2cccc(Cl)c2C#N)cc1F 506041816 MIIRFYVTBCHMTG-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CC[C@H](Cc1ccccc1)NC1CCC(COC)CC1 414298122 JGPYDDVSPONOJT-CTWPCTMYSA-N 287.447 3.969 30 20 CHED Cc1cc(CNc2cccc(F)c2C)ccc1C#N 444005562 XKSHURUFGWOMLM-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CCS[C@H]1CCC[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1 185854056 MJZFJVAOPGTHRE-XGUBFFRZSA-N 266.454 3.723 30 20 CHED CCN(CCCSCC#N)c1cc(C)cc(C)c1 72515118 DNTLEEZJBHIQLV-UHFFFAOYSA-N 262.422 3.777 30 20 CHED C[C@@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(C#N)c1 183261433 CWISCLWLVAJZPC-RNJTYBCJSA-N 296.414 3.557 30 20 CHED C=C(C)CCc1noc(CCSc2ccccc2)n1 508644941 HWUNFZFVJMNUKH-UHFFFAOYSA-N 274.389 3.913 30 20 CHED CCCCOCCNc1ccc(Br)cc1C#N 132351362 LZEZNOXQLXFNCP-UHFFFAOYSA-N 297.196 3.549 30 20 CHED C=CCCCCNC(=O)Cc1c[nH]c2cccc(Cl)c12 500762700 HYSZJGHIOOVLLN-UHFFFAOYSA-N 290.794 3.836 30 20 CHED CCn1c(NC(=O)CCC(C)(C)C)nc2cc(C#N)ccc21 132011011 INMDXDKJHMRJQK-UHFFFAOYSA-N 298.390 3.693 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC=C(c2ccc(O)cc2)CC1 134883549 XPKSHNYIDVCERS-SFHVURJKSA-N 285.387 3.610 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)C[C@H](C)C1 508992585 ANGMANBRCVDGFD-KBPBESRZSA-N 290.455 3.535 30 20 CHED C=CCC[C@H](C)NC[C@@H](c1ccc(C)o1)N1CCCC1 185298336 CQJWWHCOEHYHKF-HOCLYGCPSA-N 276.424 3.669 30 20 CHED C#CCCCNCc1ccc(Oc2ccccc2)o1 180979562 LHBCGGIDJACELI-UHFFFAOYSA-N 255.317 3.575 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1ncc(C#N)cc1Cl 608886152 ZVCTZFMHQZWLMK-GFCCVEGCSA-N 285.778 3.958 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)CC(C)C 506633197 JGMOLKIMSTWRHS-AWEZNQCLSA-N 292.398 3.958 30 20 CHED C[C@H](CCC#N)N1CCC(Cc2cccc(F)c2F)CC1 411807380 KJVRWENONHNMAH-CYBMUJFWSA-N 292.373 3.912 30 20 CHED CC(C)c1cnc(N=C(O)[C@H]2CCC(=O)[C@@H](C)C2)s1 328934846 FJHCWGORUIWLGP-UWVGGRQHSA-N 280.393 3.860 30 20 CHED CN(Cc1ccc2ccccc2c1)Cc1ccc(C#N)o1 506111979 FUYDNMMSLZBNBX-UHFFFAOYSA-N 276.339 3.936 30 20 CHED C=CCSCCNC(=O)[C@@H](C)c1ccc2ccccc2c1 84588671 OVWPTHPFQNPPBK-AWEZNQCLSA-N 299.439 3.979 30 20 CHED CCC1(CC)CCC(NC(=O)C2(C#N)CC(C)C2)CC1 530406557 AOFHWLVFOMPPSN-UHFFFAOYSA-N 276.424 3.791 30 20 CHED OC(=Nc1nc(C2CCOCC2)cs1)[C@H]1C[C@@H]1C1CC1 329164430 GYVRJANQOKHVRZ-NEPJUHHUSA-N 292.404 3.671 30 20 CHED COc1cc(NCc2ccccc2C#N)ccc1Cl 193315080 QXXBSKKXPHCLAK-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1cccc(S[C@H](C)C(=O)Nc2ccccc2C#N)c1 40696081 RPEFRSIBBBPVBT-CYBMUJFWSA-N 296.395 3.986 30 20 CHED C=CCN(C)C(=O)Nc1cc(C)c(Br)c(C)c1 192418385 WIOUIHOZSUSPST-UHFFFAOYSA-N 297.196 3.716 30 20 CHED CC#CCCCc1nc(C(C)(C)c2ccccc2)no1 514690211 DZBXXOWGVADEGM-UHFFFAOYSA-N 268.360 3.742 30 20 CHED C=CCC[C@H](NC(=O)[C@H](C)CSC)c1ccccc1 133862934 IHLDHIVLRVXRMX-HIFRSBDPSA-N 277.433 3.809 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 135001236 DOCJTVWSTZXMFN-CRAIPNDOSA-N 287.403 3.613 30 20 CHED COc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1F 192703062 YYNCERXDNPHZFK-INIZCTEOSA-N 298.361 3.969 30 20 CHED C#CCCCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 192147273 WRIZPAAFYAHOHO-SFHVURJKSA-N 281.399 3.859 30 20 CHED CC1(C)CCC(CNC(=O)c2ccc(CC#N)cc2)CC1 89837868 FMNLYEPIRYYGJG-UHFFFAOYSA-N 284.403 3.699 30 20 CHED CCc1ocnc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329847205 PFUPDIBSFCJQAR-RWMBFGLXSA-N 276.380 3.901 30 20 CHED N#Cc1ccc(CN2CCCc3ccc(F)cc32)cc1 48575156 XOROXYVLZOJICB-UHFFFAOYSA-N 266.319 3.650 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 192586907 CNKPFQPONVLENS-KGLIPLIRSA-N 283.371 3.688 30 20 CHED C#CCCN[C@H](CC)c1cc(F)cc(Br)c1 381401146 RASGMUBCKRJEHE-CYBMUJFWSA-N 284.172 3.652 30 20 CHED CC[C@@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 429914349 OZQNAAOFCJNVQZ-SECBINFHSA-N 272.373 3.610 30 20 CHED C=C(C)[C@@H](NC(=O)OCC1CC1)c1ccc(F)c(F)c1 192911499 INUUIDHEIKOYDL-CQSZACIVSA-N 281.302 3.718 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@H](C#N)C(C)(C)C)cc1 85438389 QAIOPRJXQRQUDN-CZUORRHYSA-N 286.419 3.797 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCc3c(C)cccc32)n1 161206692 NLEHMLURWJMLED-MRXNPFEDSA-N 263.344 3.670 30 20 CHED C=CCN(CC=C)C(=O)Nc1nc2c(s1)CCC2(C)C 421137098 UJBSKNBBSGUYQX-UHFFFAOYSA-N 291.420 3.573 30 20 CHED CC1(C)/C(=C/c2ccc(O)cc2)C(=O)c2ccccc21 194581332 SITFJBKHDGXRRJ-LFIBNONCSA-N 264.324 3.950 30 20 CHED N#Cc1cccc(C(=O)N(CC2CC2)c2ccccc2)c1 84242936 SBGVIDMZACPZIV-UHFFFAOYSA-N 276.339 3.615 30 20 CHED C=CC1CCN(C(=O)c2c[nH]cc2-c2ccccc2F)CC1 426324849 GLOUCLNFQJXRQU-UHFFFAOYSA-N 298.361 3.859 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)[C@H]2CCCC[C@H]21 515283459 GDPJOEHAKHTANH-JLSDUUJJSA-N 296.414 3.793 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2ccc(C)cc2[nH]1 428049407 OBCFLKCDUQCXGY-AWEZNQCLSA-N 268.360 3.657 30 20 CHED COc1cccc(/C(O)=N/CC2CCC(F)(F)CC2)c1O 331228511 FOTUKIZGRKVBQY-UHFFFAOYSA-N 299.317 3.531 30 20 CHED N#Cc1ccccc1CSCCN[C@H]1CCC12CCC2 337469354 MWAJKIIGYBXVQS-INIZCTEOSA-N 286.444 3.714 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCSc2ccccc21 424532171 AXOGAGDNPLYMFR-ZDUSSCGKSA-N 275.417 3.942 30 20 CHED CC1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCCCCC1 333609348 WKUKWWCFTPFUCA-SFHVURJKSA-N 288.435 3.937 30 20 CHED C#CCOc1ccc(F)cc1NCc1cc(F)ccc1F 237752701 XTJSMMUOSDCJFP-UHFFFAOYSA-N 291.272 3.728 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc(Cl)ccc1Cl 339168288 SHNNGLLZOMFRRN-SNVBAGLBSA-N 285.174 3.758 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 424974537 DSYPVNLZZIMKDD-GXTWGEPZSA-N 288.416 3.609 30 20 CHED CCCC[C@H](CC)C(=O)[C@H](C#N)c1nc2ccccc2n1C 98072111 VKXIXUHITNAPFE-KBPBESRZSA-N 297.402 3.966 30 20 CHED C[C@H]1CCCC[C@H]1N(C)c1nccc(C#N)c1Cl 235569114 HEVMCAQMWUDDQT-CMPLNLGQSA-N 263.772 3.622 30 20 CHED N#C[C@H]1CC[C@@H](NC2CC(c3ccc(Cl)cc3)C2)C1 335249762 QYEFRDBZVZUHJN-MPMKUSMGSA-N 274.795 3.868 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2cccc(C#N)c2)C1 533701849 CPQBYQNBUMTEJE-CYBMUJFWSA-N 256.349 3.713 30 20 CHED CC1(C)C[C@@H]1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 338060736 LLCDBFHEFKRJKH-LDYMZIIASA-N 297.185 3.720 30 20 CHED C=CC1CCN(Cc2ccc(OC)c(OC)c2Cl)CC1 93359341 FFRNAOKHPANNCX-UHFFFAOYSA-N 295.810 3.755 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C1CC1)[C@@H](C)C(C)C 337882614 VQWJUULHRAKSNO-ZDUSSCGKSA-N 270.376 3.516 30 20 CHED CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1CC#N 339192121 KZSAFUHQCLSQPJ-AWEZNQCLSA-N 288.391 3.532 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CCC(C(F)(F)F)CC1 436304356 DIWNRBIDYIBTAH-BLYZHGLHSA-N 291.357 3.678 30 20 CHED CC1(C)CCc2cccc(N[C@H]3CC[C@@H](C#N)C3)c2O1 528010443 MJIZGAFSCNEKRC-OCCSQVGLSA-N 270.376 3.894 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(C#N)cc1)C2 248341233 VYYZFEKGGVMVQW-DAYGRLMNSA-N 282.387 3.503 30 20 CHED CC[C@@H](C#N)Sc1nc(C2CC2)nn1-c1ccccc1 436050894 LETVQGXPPBRIKU-ZDUSSCGKSA-N 284.388 3.539 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCC1(CC#N)CC1 430577928 YFNZSTXGFWLQML-GJZGRUSLSA-N 291.439 3.584 30 20 CHED Cc1ccc(NC[C@@H](C)CCC#N)c2cccnc12 602588172 LDYDXUFSODRZGL-LBPRGKRZSA-N 253.349 3.895 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)CCC1 345534988 YBEJKWRMLVTCLB-CABCVRRESA-N 273.351 3.544 30 20 CHED C[C@@H](NCCCC#N)c1cc(Cl)ccc1OC(F)F 346802028 SSVKSVQXBNTKKB-SECBINFHSA-N 288.725 3.896 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1CC1(CC#N)CC1 602776626 AFVLFKJPNVJMCY-GDBMZVCRSA-N 254.377 3.558 30 20 CHED COc1ccccc1[C@@H]1CCCN1C[C@@H](C)CCC#N 602458909 QSDMIWOABUUAAI-HOCLYGCPSA-N 272.392 3.772 30 20 CHED N#CCCC1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 521038732 IMEXVNNDFZVFLR-UHFFFAOYSA-N 297.324 3.616 30 20 CHED CCCN(C)c1ccccc1NC(=O)CCCCCC#N 600754023 LIUFAQWYTCGIKZ-UHFFFAOYSA-N 287.407 3.945 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(O)c([N+](=O)[O-])c1 255691359 NSTGDVFBUKRRMY-HYXAFXHYSA-N 289.312 3.566 30 20 CHED O=C(/C=C\c1cc(F)c(F)cc1F)c1cccc(O)c1 255589008 SAUVCTKFMJFCJP-PLNGDYQASA-N 278.229 3.706 30 20 CHED C[C@@H]1CCC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 602526612 OWQOWAUCMPJWPY-BZUAXINKSA-N 278.440 3.501 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccncc1C 347870693 OSTOYZJXQICRLS-UHFFFAOYSA-N 280.371 3.609 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)c1ccccn1 254492560 JTHIWSXJCFHERN-UHFFFAOYSA-N 280.356 3.651 30 20 CHED Cc1cccc(C)c1NC(=O)NCC(C)(C)CCC#N 348071520 YJGMGMCACZFWFL-UHFFFAOYSA-N 273.380 3.755 30 20 CHED C=CCCCCCN(C)C(=O)COc1ccccc1CC 606816767 MMVWVDZYSNCDSG-UHFFFAOYSA-N 289.419 3.833 30 20 CHED C[C@@H](CCC#N)CNc1ccc(-c2csnn2)cc1 602492858 RTVZIMQAOYFZDS-NSHDSACASA-N 272.377 3.557 30 20 CHED Cc1ccnn1-c1ccccc1NC[C@H](C)CCC#N 602608536 NGHHDFUSWRXXCL-CYBMUJFWSA-N 268.364 3.533 30 20 CHED C=CCN(C(=O)c1csc2c1CC[C@H](C)C2)C1CC1 357490416 GXMOUGDZLKMDCW-NSHDSACASA-N 275.417 3.664 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 354620432 WOHZOECWMSIPKW-OAHLLOKOSA-N 296.317 3.630 30 20 CHED C[C@H]1c2cccc(Br)c2CCN1CCCC#N 351929611 ZWNMZFSVMAJFDU-NSHDSACASA-N 293.208 3.672 30 20 CHED COc1ccc(C#N)cc1NCc1cc(F)c(F)cc1F 354853779 AQHFVCLSDFDNRY-UHFFFAOYSA-N 292.260 3.596 30 20 CHED Cc1ccccc1[C@H](Nc1ncccc1C#N)C1CC1 352784337 SUPWMBNUMFQNRA-MRXNPFEDSA-N 263.344 3.825 30 20 CHED C=CCN(C(=O)c1cc2c(s1)CC[C@@H](C)C2)C1CC1 537932979 GMLGCLVLRXEULY-LLVKDONJSA-N 275.417 3.664 30 20 CHED CC(C)Sc1ccc(CN(C)[C@H](C)CC#N)cc1 358051853 RNUPXEJIZDXTQW-CYBMUJFWSA-N 262.422 3.921 30 20 CHED C[C@@H]1CC(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H](C)C1 355496349 RFTOXRIUFSPWNT-QWRGUYRKSA-N 274.339 3.708 30 20 CHED C=CC[C@@H](CC)N=c1[nH]c(C(F)F)nc2ccccc12 440631612 AIBYWIUZSQEIKI-SNVBAGLBSA-N 277.318 3.756 30 20 CHED C[C@@H]1[C@@H](CNC(=O)NCC(C)(C)CCC#N)CCC[C@H]1C 355826738 DMLHELUNBDPNMG-QLFBSQMISA-N 293.455 3.688 30 20 CHED C=CCCC1(C(=O)NCc2nc(C(C)(C)C)cs2)CC1 355667986 FKQTWVLFSXKJMA-UHFFFAOYSA-N 292.448 3.803 30 20 CHED C=CCCC1(C(=O)Nc2cnn(CCC(C)C)c2C)CC1 356475289 HPLQKLGCYJEVQG-UHFFFAOYSA-N 289.423 3.923 30 20 CHED C[C@H]1CC(C(=O)Nc2ccc(C#N)cc2)C[C@H](C)C1 355296216 FBNBVYXUSULNTC-VXGBXAGGSA-N 256.349 3.569 30 20 CHED C[C@H](NC(=O)NCC1(C#N)CC1)c1cccc2ccccc12 619525804 VIFYBLGJTHGQRN-ZDUSSCGKSA-N 293.370 3.504 30 20 CHED CCC[C@@H](CC)NC(=O)NCc1ccc(C#N)c(Cl)c1 619756989 NBKZLIQUYVOWPK-CYBMUJFWSA-N 293.798 3.590 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(OC)c1 351624579 OKGAXFJXJPZNSU-CYBMUJFWSA-N 279.767 3.529 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@@H](C#N)c2ccccc2F)C1 355962481 LBTPZQVXMVBVHS-VLXAULBPSA-N 288.366 3.579 30 20 CHED CC(C)(CCC#N)CN1CCOC[C@@H]1c1ccc(F)cc1 449597079 YQJWRBHLEZIVES-MRXNPFEDSA-N 290.382 3.529 30 20 CHED C=C1CCN(C(=O)CCc2ccc3ccccc3c2)CC1 264495533 OUOSUAFXHGEBMW-UHFFFAOYSA-N 279.383 3.951 30 20 CHED C[C@]1(C#N)CCCN(c2ncc(-c3ccccc3)s2)C1 612108388 NGORNPRCBHIABL-MRXNPFEDSA-N 283.400 3.940 30 20 CHED CC1CC(C#N)(C(=O)N2CCC[C@@H](c3ccccc3)CC2)C1 531554591 RSVPVDMGSMSLRW-URSIVYNOSA-N 296.414 3.723 30 20 CHED Cc1ccccc1[C@H](NCC1(CC#N)CC1)C(C)C 619535125 ZFPPMYSJBUSWJR-MRXNPFEDSA-N 256.393 3.976 30 20 CHED Cc1c(C#N)cccc1NCc1cccc2c1OCCCO2 354783218 HAFPTLVXFFGQGS-UHFFFAOYSA-N 294.354 3.640 30 20 CHED N#CC1(C(=O)N2CCC(C3CCCC3)CC2)CCCCC1 610299844 KCEXYKSTEGHESZ-UHFFFAOYSA-N 288.435 3.889 30 20 CHED CCCCn1cc(CNc2cccc(F)c2C#N)c(C)n1 358471947 QWVFUHXBOFMQPA-UHFFFAOYSA-N 286.354 3.615 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1Cl)c1nc(C)cs1 264341974 YLVVSHXJFKIIQO-NSHDSACASA-N 292.795 3.935 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(F)c(C(C)=O)c1 352104456 ANYUOWSBBAGMLV-LLVKDONJSA-N 278.327 3.505 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1NC1CCC(C)(C#N)CC1 449258585 QDUWNSSDFQYVRA-VUROTCPHSA-N 278.440 3.642 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H](C[C@@H]2CCOC2)C1 614407141 GOYYZZGPJZCHCY-ROUUACIJSA-N 298.430 3.505 30 20 CHED C=C(C)CCNC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 458997234 IYBKDLOCJWBIFK-STQMWFEESA-N 252.402 3.561 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(C2CC2)ccn1 455461387 IWMVFVVFFJHQKW-UHFFFAOYSA-N 273.380 3.683 30 20 CHED CC[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(C#N)cc1 365204996 RDVATSRBUIHAFF-FJIDUMEYSA-N 298.430 3.803 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(F)ccc2ccncc12 615286348 OJKMKEZBSQPENE-UHFFFAOYSA-N 286.350 3.706 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(C(=O)CCCC#N)C1 360302039 CLMAFEQSBBRKAU-GOSISDBHSA-N 284.403 3.552 30 20 CHED Cc1ccc(CN(C)C(=O)c2cccc(CC#N)c2)cc1C 456948977 IKHCCNADGMSCPL-UHFFFAOYSA-N 292.382 3.642 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(C)sc1C 453375970 XPFDYDXDXLDYLU-DFBGVHRSSA-N 265.422 3.749 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cnn(CCC)c1C1CC1 455747585 BGWOJCLKEBCCAH-UHFFFAOYSA-N 290.411 3.504 30 20 CHED N#Cc1ccc(CN2CCC=C(c3ccco3)C2)cc1F 367158852 UTKPXBIUNRGGOU-UHFFFAOYSA-N 282.318 3.580 30 20 CHED C=CCCC1(C(=O)N(C)[C@@H](C)CCSCC)CC1 361753934 LUNJZBYMKHXBKN-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 450669175 AVGFOCKRZXRENU-VIFPVBQESA-N 265.319 3.682 30 20 CHED C[C@H]1CC[C@H](CC(=O)NCc2ccc(C#N)c(Cl)c2)C1 619767063 QIVQDBVNZIEXBG-RYUDHWBXSA-N 290.794 3.654 30 20 CHED CCCC[C@H](CC)C(=O)N(CCC#N)Cc1ccccn1 279527225 GVIZOCPPFSCSQZ-HNNXBMFYSA-N 287.407 3.540 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(C(C)(C)C)cc1 278261086 NUNLQOIDOFZFMB-UHFFFAOYSA-N 258.365 3.862 30 20 CHED Cc1ccccc1CN(CC1(C#N)CCC1)C1CC1 450299368 OSOQINVYXRRBJD-UHFFFAOYSA-N 254.377 3.653 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)c2cccs2)C1 617784012 LMMIKPWGXUWREK-STQMWFEESA-N 263.406 3.666 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1c(F)cccc1Cl 276034564 DYKBCAXLNJXWQO-SNVBAGLBSA-N 284.762 3.758 30 20 CHED N#CCCCC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 360783001 QFOACJRUZBFQGC-MRXNPFEDSA-N 286.350 3.572 30 20 CHED C=CCCCSCCOc1ccccc1C(=O)OC 542002063 FSEJISCDCUVEMZ-UHFFFAOYSA-N 280.389 3.551 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 456842733 RISMTGCECFNLJF-HIFRSBDPSA-N 288.366 3.530 30 20 CHED CC(C)(C#N)CCCN1CCCc2ccccc2CC1 451711778 PBELMTQJCABAKF-UHFFFAOYSA-N 270.420 3.807 30 20 CHED C[C@H](NCC1Cc2ccccc2C1)c1ccc(C#N)cc1 540607912 VJLLZAHHEGOIIQ-AWEZNQCLSA-N 276.383 3.624 30 20 CHED CN1CCC(=O)C[C@@H]1c1ccc(-c2ccc(C#N)cc2)cc1 629711896 HOWQVIBWBKKWJY-LJQANCHMSA-N 290.366 3.561 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1=CC[C@@H](C)CC1 455143833 RBCQGOOOZKDNHZ-OAHLLOKOSA-N 294.398 3.819 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)C2CCC2)C1 549527983 ZCBTVSFVFDXMDZ-XYPHTWIQSA-N 254.377 3.810 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N(CC#N)C1CCCC1 543442042 RNFRGLSOXFXLIP-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@@H]2CCCC[C@H]12 543908688 LYEIMMCKAIGCOX-CSMYWGQOSA-N 272.367 3.708 30 20 CHED C=CC(C)(C)c1nc(Cc2c(F)cccc2Cl)no1 453056289 YPQTZRJJBCCJHK-UHFFFAOYSA-N 280.730 3.917 30 20 CHED C=C(CNc1nccc2c1C(=O)OC2(C)C)c1ccccc1 367933903 DOPLZGWRYNLNFG-UHFFFAOYSA-N 294.354 3.612 30 20 CHED CC[C@H](N[C@@H](C)c1ccccn1)c1ccc(C#N)cc1 278296115 RNLNCPKHCUHNGV-BBRMVZONSA-N 265.360 3.755 30 20 CHED C=CCC[C@H](C)N[C@H](CO)c1ccc(C(F)(F)F)cc1 544602578 MZMHLNHLIDTWAJ-SMDDNHRTSA-N 287.325 3.683 30 20 CHED CC(C)(C)c1cnc(CNCc2cccc(C#N)c2)s1 279128029 MIRJGIAODIUHOV-UHFFFAOYSA-N 285.416 3.602 30 20 CHED Cc1ccccc1C1(C(=O)N[C@@H](C#N)C(C)(C)C)CCCC1 464709236 HVIVMGMJSSSEKJ-INIZCTEOSA-N 298.430 3.861 30 20 CHED C[C@H](C(=O)N1C[C@H](C)CC(C)(C)C1)c1cccc(C#N)c1 462547323 SNHCDCCHJXVTQK-KGLIPLIRSA-N 284.403 3.556 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1NCC1CCCCC1 543916380 PFYFKBQAMGRLJW-ZDUSSCGKSA-N 285.391 3.777 30 20 CHED Cc1nc2ccc(-c3noc(CC(C)(C)C#N)n3)cc2s1 289046142 MNNUOYCXVCPTQG-UHFFFAOYSA-N 298.371 3.747 30 20 CHED COc1cc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)ccc1C#N 378818743 DDNHWDYAWHWROH-CVEARBPZSA-N 284.403 3.577 30 20 CHED Cc1cc(N2CCc3c(cccc3C(C)C)C2)cc(C#N)n1 557683152 YMDLVBGWDZJYKT-UHFFFAOYSA-N 291.398 3.948 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](c1ccccc1)C1CC1 281531566 XRWOPYJPTDUNFN-HZPDHXFCSA-N 257.377 3.651 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCCN1CC)c1ccco1 556868604 SZXFOMIHSQJQNG-HOTGVXAUSA-N 276.424 3.751 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1ccc(Cl)c(C)c1 464486734 JZKXROWEBWFTLI-UHFFFAOYSA-N 294.826 3.799 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(C)cc1OCC 551808608 XRANZHWBHANHMF-UHFFFAOYSA-N 275.392 3.612 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 281091754 PDCWUBIGRVLGTC-SRVKXCTJSA-N 279.330 3.539 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nccn2Cc2ccccc2)C1 283115870 SEELSCMSSHQTAZ-HUUCEWRRSA-N 283.400 3.716 30 20 CHED CC[C@H](C)[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 464714171 UHRRVKDPYZOJFU-NUEKZKHPSA-N 286.419 3.871 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(OC)c(C)c1 280904572 RINKRNXALLZPNO-HFTRVMKXSA-N 289.419 3.635 30 20 CHED CO[C@@]1(C)C[C@H](Nc2ccc(Cl)cc2C#N)C1(C)C 467009082 IYEDLHMDFSBYTL-ZFWWWQNUSA-N 278.783 3.827 30 20 CHED CCOC(=O)C(C)(C)CSc1ccc(C#N)cc1Cl 554519791 FPAJBGZZUSBYBB-UHFFFAOYSA-N 297.807 3.893 30 20 CHED C=CCC[C@H](CCC)NC[C@H]1CCO[C@@H]1C(=C)C 280720911 FSJWDCNKNCUJCS-OWCLPIDISA-N 251.414 3.692 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C1C2CC3CC(C2)CC1C3 464300530 OPCDEDOOJZYOSQ-OTSQNHGHSA-N 288.435 3.503 30 20 CHED CC1(C)CN(C(=O)NCc2cccc(C#N)c2)CC(C)(C)C1 467807061 LXMYTGIMPKVGBE-UHFFFAOYSA-N 299.418 3.526 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cc(OC)c(OC)cc1F 467412410 SFWGFLQUGDPRLE-NWDGAFQWSA-N 281.371 3.848 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)c1ccccc1 476254946 SIDURVSWTPGKPO-LRDDRELGSA-N 298.773 3.825 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl 476191273 MEKCHSTVHUGLAD-JSGCOSHPSA-N 290.794 3.847 30 20 CHED CCc1cc(C#N)c(NC(=O)c2sc(C)nc2C)s1 298861584 PYWGVHJEYKEABE-UHFFFAOYSA-N 291.401 3.508 30 20 CHED CC(C)C(Cn1cccn1)=NNc1nc2ccccc2s1 802703669 HXXRUYCSFUIBJV-UHFFFAOYSA-N 299.403 3.617 30 20 CHED C=CCC(C)(C)CN[C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 556218664 YLTOWVOOQIEFLX-RBSFLKMASA-N 281.440 3.546 30 20 CHED C=CCCCCCCNC(=O)N(C)CCC1CC1 806004396 GXXVNBBWKPLIBK-UHFFFAOYSA-N 252.402 3.564 30 20 CHED CC[C@](C)(OC)c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 290553642 SSQYTDCLRBLLCF-KRWDZBQOSA-N 299.374 3.809 30 20 CHED C=CCCCCNC(=O)C[C@H](C)c1ccccc1F 471701116 GCALHSROJLLRQT-ZDUSSCGKSA-N 263.356 3.792 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2cc(C#N)cs2)C1 475619524 AIEWRCWRRRPPAH-ZDUSSCGKSA-N 262.422 3.878 30 20 CHED C=CCCCCN[C@H]1CCc2c(F)ccc(F)c21 471607498 VABLNLXMQHNPOT-AWEZNQCLSA-N 251.320 3.898 30 20 CHED C=CCCCCNC(=O)C[C@H]1CCc2ccccc2C1 471685615 CGMZXUSPHVUYLL-HNNXBMFYSA-N 271.404 3.654 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(OCCC)cc1C 806224900 WEUJWIFWUAFVPZ-AWEZNQCLSA-N 288.391 3.707 30 20 CHED CCCCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[C@H](C)C1 294439742 ZHUVWFOIAWZGIJ-DZGCQCFKSA-N 287.407 3.707 30 20 CHED CC[C@H](CN(CC)C(=O)CCCC#N)c1ccccc1 293414519 SVWZSCIORAIWLU-OAHLLOKOSA-N 272.392 3.723 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(c1)CCC(=O)N2 298342334 JHJQIXANKYSCOW-UHFFFAOYSA-N 288.391 3.870 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C)C1 475483845 WDWBHDJZTNMPIZ-RDJZCZTQSA-N 286.419 3.820 30 20 CHED C[C@H](C=NNc1cc(C#N)cc(Cl)n1)C(C)(C)C 800814919 DNEQDPAVSZVXHN-SECBINFHSA-N 264.760 3.687 30 20 CHED C[C@@H]1Cc2cc(-c3ccc(CNCCC#N)cc3)ccc2O1 566111496 HDPZTSOJKBXPTP-CQSZACIVSA-N 292.382 3.680 30 20 CHED C[C@@H]1Oc2ccccc2[C@H]1/N=C\c1cc(Cl)ccc1O 809144111 DFTGYSHRPUVXDP-OGNRDBJUSA-N 287.746 3.987 30 20 CHED CCN(CCC#N)[C@H](C)c1ccc(Br)cc1 299418941 RHFCFRFVDCQZOF-LLVKDONJSA-N 281.197 3.746 30 20 CHED C#CCC(C)(C)c1nc(Cc2cccc(Cl)c2F)no1 290083112 KXUVJPWHGSCNKS-UHFFFAOYSA-N 292.741 3.754 30 20 CHED C=CCNC(=O)N[C@@H](c1ccc(CCC)cc1)C(C)C 643217166 PLMQCVUNMWTWMB-MRXNPFEDSA-N 274.408 3.821 30 20 CHED C[C@@H]1/C(=C\c2ccc3c(c2)ncn3C)C(=O)c2ccccc21 809159076 HSHITFHORBBHEN-RGZVIEDOSA-N 288.350 3.957 30 20 CHED N#CCCCOc1cccc(CN[C@@H]2CCC[C@@H](F)C2)c1 564960855 JMTFRIXEHIFKRJ-HZPDHXFCSA-N 290.382 3.739 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 567077808 JFQIENLMTGULOB-BBRMVZONSA-N 290.407 3.752 30 20 CHED C=CCOCCOC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 813894503 LVXJBIIXFNLCKP-MSOLQXFVSA-N 296.366 3.689 30 20 CHED COc1ccc(F)cc1/C=C1\Cc2c(F)cccc2C1=O 812242119 QVKUNPOZXWSSHJ-YRNVUSSQSA-N 286.277 3.796 30 20 CHED COc1ccc(CNN=Cc2cc(C)cc(Cl)c2)cc1 814811101 PAIHMOMBTBAMDD-UHFFFAOYSA-N 288.778 3.781 30 20 CHED CC(C)(C)OC(=O)c1ccc(C=NOC2CCC2)cc1 812235117 MBMXRCXLIAGGEX-UHFFFAOYSA-N 275.348 3.545 30 20 CHED CC(=NOCC1CC1)c1ccc(F)cc1Br 814245310 WUPWDOPEQIPSBR-UHFFFAOYSA-N 286.144 3.739 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(CC)c1CC 487647611 CTMWGJZYHHEICE-GFCCVEGCSA-N 260.381 3.898 30 20 CHED C=CCn1cccc1C(=O)N[C@H]1CCCc2sccc21 488893866 FSLWSNQFCGPZLC-ZDUSSCGKSA-N 286.400 3.543 30 20 CHED CC(C)[C@@H]1N(C(=O)[C@@H](C#N)CCc2ccccc2)CC1(C)C 480575238 ZGCSBMFKZATYCQ-SJORKVTESA-N 298.430 3.652 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccncc1Cl 817348028 SNPYKQFGXQEUHH-SNAWJCMRSA-N 289.766 3.717 30 20 CHED CC(C)[C@@H]1CC(=NNc2cnnc3ccccc23)CS1 814848947 AEBIVZNOJOLTAE-HNNXBMFYSA-N 286.404 3.559 30 20 CHED COc1ccc(F)cc1C=NNc1cc(F)c(F)c(F)c1 812226636 QCMQDZPGKWFOAC-UHFFFAOYSA-N 298.239 3.698 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12 488833184 DNVQKQYDHXXWSZ-HNNXBMFYSA-N 282.387 3.668 30 20 CHED CCc1oc2ccccc2c1C=NNC[C@H]1CCSC1 811657840 DVLAPFFTKZYQMX-GFCCVEGCSA-N 288.416 3.672 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1cccc2ccccc12 488856525 PTAWYRKZXKGJST-QGZVFWFLSA-N 279.383 3.949 30 20 CHED CCCCCCCCNC(=O)N1CC[C@@](CO)(CCC)C1 812181308 YCENMNBMLGSIIY-KRWDZBQOSA-N 298.471 3.541 30 20 CHED CC(C)N(CCC#N)Cc1ccnc(Cl)c1Cl 811455968 AGWLCJZDSZBNBM-UHFFFAOYSA-N 272.179 3.512 30 20 CHED Clc1ccnc(NN=C2COc3cccc(Cl)c32)c1 814898783 UAKWVNGLSGTVNB-UHFFFAOYSA-N 294.141 3.597 30 20 CHED N#Cc1ccsc1C(=O)N[C@@H]1CCCCC12CCCC2 575060804 NOMHXJCCMYRCOL-CYBMUJFWSA-N 288.416 3.853 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)[C@@H](C)O 570202183 DFGDRAUFFURCJL-UONOGXRCSA-N 296.370 3.840 30 20 CHED C=CCn1c(N2CCCC[C@@H]2CC)nnc1C(C)(C)C 572049251 NKQWBXSQRYSECB-ZDUSSCGKSA-N 276.428 3.531 30 20 CHED COc1cccc(CCCOc2cc(C#N)cc(OC)c2)c1 486064479 BTJOWVVSSRZYDX-UHFFFAOYSA-N 297.354 3.587 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C)cc1OCC 815064052 MCYWKHUWTMGUGH-UHFFFAOYSA-N 269.291 3.544 30 20 CHED C#CCN(CC)C/C(C)=C/c1ccccc1OC(F)F 811457365 BABHQBJJSZODMR-ACCUITESSA-N 279.330 3.646 30 20 CHED C=C(C)CNC(=S)NCC(C)(C)c1ccccc1Cl 727981646 DZXGWPZHFNMQBP-UHFFFAOYSA-N 296.867 3.658 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1CCSc2ccccc21 488879102 JJZWGUPRSGJSHD-DZGCQCFKSA-N 287.428 3.833 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)SCCCC)c1 728480281 JXANDSCKSGECRH-AWEZNQCLSA-N 289.444 3.943 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCSc1ccccc1 499502039 HLWZNNITQMZSKJ-MRXNPFEDSA-N 290.432 3.613 30 20 CHED CC(C)C1CCC(=NNc2cncc(Cl)n2)CC1 729635384 QTLDFQKOPDPPEP-UHFFFAOYSA-N 266.776 3.744 30 20 CHED C=CCCCC(=O)Oc1cc2ccccc2cc1C(=O)O 825671134 DNXCHQIPLJHZBS-UHFFFAOYSA-N 284.311 3.800 30 20 CHED Cc1nc(CNC2CCC(C)(C#N)CC2)nc2ccccc12 572929966 LFEYOAJWSVSHFD-UHFFFAOYSA-N 294.402 3.500 30 20 CHED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C#CC(C)C 821155034 UPXVKEAKNAKJIY-UHFFFAOYSA-N 297.320 3.713 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](CC)C1CC1 666687933 CPOIUFFUPQXOGF-INIZCTEOSA-N 272.392 3.573 30 20 CHED CC1CC(C#N)(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)C1 570571085 GJVYESPBNVRXKM-LBXLTVQDSA-N 296.414 3.769 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C/C(=C\C)CC 492159269 OABCYZDGMGFBBU-TVLMAAOGSA-N 294.398 3.985 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)OCC(C)(C)CCC#N 820966841 WYXVHGPFIXMRFN-QWHCGFSZSA-N 251.370 3.686 30 20 CHED C=CC[C@H]1CCCN(Cc2cc3ccccc3nc2O)C1 661379225 AJWQNTJOAOLMET-AWEZNQCLSA-N 282.387 3.729 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 822957763 ISOTXFGGHOKUDW-DYVFJYSZSA-N 282.387 3.654 30 20 CHED C[C@@H]1CCC[C@H]1/N=C\c1cc2ccccc2nc1O 729641658 RXWBZVZBCZEJDP-HVIMTOHBSA-N 254.333 3.548 30 20 CHED CCN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@H](C)C(C)C 580961025 HPUKFDGQQRJYQR-NVXWUHKLSA-N 286.419 3.652 30 20 CHED C=CCNc1ncc(C(=O)N(C(CC)CC)C2CC2)s1 900496113 CHOVAOJBVBIFLC-UHFFFAOYSA-N 293.436 3.534 30 20 CHED C=CCC[C@H](CCC)NC1CCN(CC(F)(F)F)CC1 584642157 XALQDHSTFJTMDZ-ZDUSSCGKSA-N 292.389 3.738 30 20 CHED CC[C@H](NCCOC1CCCC1)c1cccc(C#N)c1 902776938 OIQOZWZWIYCWAI-KRWDZBQOSA-N 272.392 3.558 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C3CCCC3)n2CC)C1 669097421 UPOFAJOTBVMQHU-AWEZNQCLSA-N 288.439 3.748 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)c1nc(C)cs1 494889842 CUUMDLRTZOKQHD-CHWSQXEVSA-N 293.436 3.653 30 20 CHED CCOCc1cc(/C=C\C(=O)c2ccncc2)ccc1OC 588386383 LZSFKSXSNUEOOV-XQRVVYSFSA-N 297.354 3.523 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2nsc3ccccc23)C1 905929258 NPQFIZNZHCKKSD-MNOVXSKESA-N 286.356 3.535 30 20 CHED N#Cc1cc(F)ccc1COC(=O)/C=C/C1CCCCC1 735560582 BNUSVBHBAFEHDQ-RMKNXTFCSA-N 287.334 3.877 30 20 CHED CCC(CC)(OC)c1noc(/C=C\c2ccccc2C#N)n1 589385591 WAEDXECLHCNSMQ-KHPPLWFESA-N 297.358 3.773 30 20 CHED C#CCN(C(=O)c1coc2ccccc12)C1CCCCC1 733217615 LHOAKQDKPSUTMW-UHFFFAOYSA-N 281.355 3.841 30 20 CHED N#CCc1cccc(NC(=O)[C@@H](F)CC2CCCCC2)c1 837073738 VSRGFZOSHRFLCD-INIZCTEOSA-N 288.366 4.000 30 20 CHED C=CCONC(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 838711826 MONFCUPIPPNCTK-RYUDHWBXSA-N 296.798 3.591 30 20 CHED N#CCOc1cccc(/C=C/c2nc3ccccc3o2)c1 730150864 FMXSHUYIAKQSGX-CMDGGOBGSA-N 276.295 3.901 30 20 CHED CCCC[C@@H](C)C(=O)N[C@H](C#N)c1ccc(CC)cc1 589075438 KSEFAPGLOKWDGJ-CZUORRHYSA-N 272.392 3.756 30 20 CHED C=C(CC)CSc1nc2ccc(C(=O)O)cc2o1 833370745 QSHIDNYABRDKLW-UHFFFAOYSA-N 263.318 3.584 30 20 CHED C=CCC[C@H](O)CN1CCCC[C@H]1c1ccccc1OC 675495214 COHVLSNXKXEWDD-RDJZCZTQSA-N 289.419 3.549 30 20 CHED C=C[C@H](CC(=O)N1CCC(CCC#N)CC1)c1ccccc1 584722492 JKXLZRKNKHUPDH-QGZVFWFLSA-N 296.414 3.889 30 20 CHED Oc1cccc(/C=N/CCc2ccc(F)cc2Cl)c1O 733205542 YZNRWTYXTGHTPU-GIJQJNRQSA-N 293.725 3.552 30 20 CHED C=C(CNC(=O)C1(CCC)CCC1)c1ccccc1 673342248 WBZODZIVXMRTNR-UHFFFAOYSA-N 257.377 3.786 30 20 CHED CN(C(=O)C#CC(C)(C)C)[C@H]1CC[C@@H](C(F)(F)F)CC1 837654971 AIANEYMOTUWJKD-TXEJJXNPSA-N 289.341 3.615 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1CCC(c2ccccc2)CC1 594088567 JNLNDTFPSHGHPT-OFLPRAFFSA-N 284.403 3.721 30 20 CHED CCC1CCC(=NNc2cc(Cl)nc(C)n2)CC1 741766180 OVQONOSVSXOOIQ-UHFFFAOYSA-N 266.776 3.807 30 20 CHED CCC(Cc1cccs1)=NNc1cc(Cl)nc(C)n1 741767486 WUBNRHWJNWRMIY-UHFFFAOYSA-N 294.811 3.921 30 20 CHED N#Cc1ccc(NC(=O)C=C2CCCC2)cc1Cl 917564314 DDTPRJDBGGZASF-UHFFFAOYSA-N 260.724 3.651 30 20 CHED C[C@](C#N)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CCCCC1 593106094 OJRRIYFESRAINO-CXHZTBPHSA-N 286.419 3.567 30 20 CHED CCC(=NNc1cc(C)cc(C)c1)c1c(C)nn(C)c1C 741838971 YWHCRGRICUZCRB-UHFFFAOYSA-N 284.407 3.880 30 20 CHED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccsc1 749105967 ZUXFKPYRNVDWIN-UHFFFAOYSA-N 288.376 3.741 30 20 CHED C[C@H](C=NNc1ccc(CC(=O)O)cc1)C1CCCCC1 848414602 PLJOBURTKBFURA-CYBMUJFWSA-N 288.391 3.928 30 20 CHED C#CCCCN[C@@H](C)c1csc(-c2ccccc2)n1 840725427 AWSDEICPDJSXOH-ZDUSSCGKSA-N 270.401 3.874 30 20 CHED N#Cc1ccc(C=NNCc2ccc(Cl)cc2Cl)o1 743435800 NKKPSAMOPIMBHB-UHFFFAOYSA-N 294.141 3.582 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc([N+](=O)[O-])cc2)c1 916346469 CZEBCLUIVUANQZ-UHFFFAOYSA-N 269.304 3.658 30 20 CHED Cc1ccc(-c2cc(CN3CCC[C@H](CC#N)C3)on2)cc1 595608928 CFRRTGBRVBMKDE-OAHLLOKOSA-N 295.386 3.776 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1c(C)[nH]c2ccccc12 915114613 NYNKIAFGFULPNB-HJWRWDBZSA-N 280.327 3.977 30 20 CHED N#Cc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)s1 592988628 METBGYREWXZCOD-AWEZNQCLSA-N 285.368 3.592 30 20 CHED C=C(C)CONC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 845608625 NULYHGZPPXVHAM-DLBZAZTESA-N 296.370 3.503 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 593616394 ITWBVNWVMBXAOK-CABCVRRESA-N 284.403 3.553 30 20 CHED C=CCCCCSCc1cn(C(C)(C)C)nn1 596365629 FEUOEFGZDXKXSM-UHFFFAOYSA-N 253.415 3.623 30 20 CHED CC[C@H](C#N)C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 593739230 XCWNRQKNOGJKHS-PVAVHDDUSA-N 284.403 3.626 30 20 CHED C[C@H](C(=O)O[C@H](C#N)C(C)(C)C)c1ccc(Cl)cc1 845510782 DSQMWEBFETUBPW-GXFFZTMASA-N 279.767 3.925 30 20 CHED Cc1ncc(C=NNc2ccc(Br)cc2)s1 917545883 KJZMJEUOJWAXFV-UHFFFAOYSA-N 296.193 3.660 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCc2cc(C#N)ccc2F)c1 740354401 SXPIBTHPVIGTIH-CYBMUJFWSA-N 297.329 3.853 30 20 CHED CC1(c2noc(/C=C\c3ccc(C#N)cc3)n2)CCCC1 599197415 FWOLVIIEQXSKAI-HJWRWDBZSA-N 279.343 3.943 30 20 CHED C=C(C)CCOC(=O)[C@@H]1C[C@H]1c1sccc1C 748875559 HCVHMOJIGZDLJF-VXGBXAGGSA-N 250.363 3.669 30 20 CHED Cc1csc(NC(=O)N2[C@H]3CC[C@H]2CC(C)C3)c1C#N 596909011 PZNVYTOERVCLAQ-RYUDHWBXSA-N 289.404 3.723 30 20 CHED C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)[C@H](C)[C@H]1C 841889358 CHENXNKGPQMKAX-OWCLPIDISA-N 285.435 3.513 30 20 CHED C=CCN(C(=O)COc1ccccc1C(C)C)C(C)C 915147894 PLDCJYKPXKRDSY-UHFFFAOYSA-N 275.392 3.612 30 20 CHED CCOc1ccc([N+](=O)[O-])cc1C=NNc1cccc(C)c1 748579935 UUJWICCILVKXSP-UHFFFAOYSA-N 299.330 3.748 30 20 CHED CCCCCCO[C@H](C)C(=O)OCc1cccc(C#N)c1 840594884 GMQJMCUUCPUDDV-CQSZACIVSA-N 289.375 3.587 30 20 CHED CC(C)O[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 593053921 OIXFSZSBHQGRMJ-RHSMWYFYSA-N 272.392 3.509 30 20 CHED CC[C@@H](c1ccncc1)N(C)c1nc(C#N)c(Cl)s1 596134710 OYKKQKKZICWPEO-NSHDSACASA-N 292.795 3.651 30 20 CHED Cc1ccc2c(c1)CN([C@@H](C#N)c1ccccc1)CC2 595657819 OZSXXQABBUTRTN-SFHVURJKSA-N 262.356 3.618 30 20 CHED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1F 596631695 YKRPBKZTZHIHNX-UHFFFAOYSA-N 274.339 3.937 30 20 CHED C=CCCOC(=O)c1ccc(-c2cccs2)nc1C 740206129 ZFKQJUNIDBSTOW-UHFFFAOYSA-N 273.357 3.851 30 20 CHED C#C[C@H](CCC)NC(=N)Nc1cccc(C(C)C)c1 849022055 VSHARHFQDYIQLG-CQSZACIVSA-N 257.381 3.548 30 20 CHED CC(C)c1ccc2occ(C(=O)N3CCC[C@H](C#N)C3)c2c1 928215754 QIOPBBOSVPQBJZ-CYBMUJFWSA-N 296.370 3.932 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(CCC)cc1)OCC 756581866 UZFLHGCIRJEUTA-MRXNPFEDSA-N 276.376 3.916 30 20 CHED CCCCC=NNc1ncnc2sc(C)c(C)c12 755520252 ASSNNIUSRDBIEQ-UHFFFAOYSA-N 262.382 3.896 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCCC(F)(F)C1 851203598 CGNIOFPPUNCYRJ-GHMZBOCLSA-N 273.323 3.683 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccc(F)cn1)CCC2 753921793 NXIZEPSYEWQXQU-UHFFFAOYSA-N 269.323 3.682 30 20 CHED CN1CCCC(=NOc2ccccc2C(F)(F)F)CC1 758120013 QBZWXCFKYFGWIN-UHFFFAOYSA-N 286.297 3.556 30 20 CHED N#Cc1ccc(OC(=O)OCC2CCCCC2)c(F)c1 859070866 LFAVXLOIGZBVAA-UHFFFAOYSA-N 277.295 3.793 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cn(C)nc1-c1ccccc1 926128821 DRRGMNHPCHRPPA-AWEZNQCLSA-N 296.418 3.505 30 20 CHED CCN(CCCCC1(C#N)CCC1)CCSC 930825562 MBXUBGGBLORDII-UHFFFAOYSA-N 254.443 3.535 30 20 CHED C#Cc1cccc(N(C)C(=O)N[C@](C)(CC)C(F)(F)F)c1 933513666 FHZWOJOCVOVNNO-CQSZACIVSA-N 298.308 3.545 30 20 CHED C#Cc1cccnc1NC[C@H](c1ccsc1)N(CC)CC 853159964 JRVONGZWEKMMFJ-MRXNPFEDSA-N 299.443 3.619 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)CCc2ccccc2F)c1 754037076 OFZNPVXRMSNSAO-UHFFFAOYSA-N 296.345 3.579 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1cc(F)ccc1O 757467169 BJCSXARNGAWVMK-SOFGYWHQSA-N 293.297 3.976 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccccc1Cl 751516107 FHKKBTIPIVZXDV-LLVKDONJSA-N 252.745 3.554 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1 759084163 YNHPBZPOKPLWDK-XQRVVYSFSA-N 298.729 3.533 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1c1cccn1C 933979392 WRLICEIGTVAOJA-GDBMZVCRSA-N 274.408 3.681 30 20 CHED C=CCN(C(=O)Nc1ccc(C(=O)CC)cc1)C(C)C 861443246 IEWULPXHEKUCFH-UHFFFAOYSA-N 274.364 3.708 30 20 CHED N#Cc1cc(COC(=O)c2cccc3ccsc23)ccn1 767636682 QRTACXJCUUWHGQ-UHFFFAOYSA-N 294.335 3.525 30 20 CHED Cc1cccc2c1CCN(CC(C)(C)CCC#N)C2 769338687 NILRPJYAJOQJFP-UHFFFAOYSA-N 256.393 3.683 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1O[C@H](C)C#N 935299576 XHNLNYHGZJJKDK-CHWSQXEVSA-N 272.348 3.518 30 20 CHED CCCCn1nc(C)c(C=NOCC(F)(F)F)c1Cl 764847238 VTUNLKMZHONTDJ-UHFFFAOYSA-N 297.708 3.558 30 20 CHED C#CCCCN[C@@H](CC(F)(F)F)c1ccccc1C 769988848 FXDISTXYNNRVMX-AWEZNQCLSA-N 269.310 3.992 30 20 CHED CO[C@](C)(C=NNc1ccc(F)c(Cl)c1)C1CC1 863179390 VGHBLUOLCGKJCI-CYBMUJFWSA-N 270.735 3.692 30 20 CHED CC#CCCOC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 760284136 WUIUSOFVSFBFKX-GFCCVEGCSA-N 292.762 3.506 30 20 CHED C=CC[C@H]1N(C(=S)NCC(=C)C)CCCC1(C)C 766526783 YMENGXVGVPGWPU-CYBMUJFWSA-N 266.454 3.504 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2nc(Cl)cs2)s1 762443569 QIUDVRIGIMABSU-RQOWECAXSA-N 280.761 3.626 30 20 CHED CCC(CC)NN=Cc1ccc(C(F)(F)F)s1 761815856 JYKKLMGMBDLUPX-UHFFFAOYSA-N 264.316 3.879 30 20 CHED CCCCCCCCc1nc(C2(OC)CCC2)no1 762389215 SIRASNAIWRSYLG-UHFFFAOYSA-N 266.385 3.998 30 20 CHED C#CCN(CC)C(=O)c1cccc(N[C@@H](C)C(C)C)c1C 764515316 OOBNWLLKLQWLGH-HNNXBMFYSA-N 286.419 3.547 30 20 CHED C[C@H](CCC#N)CNc1ccc(N2CCSCC2)cc1 876864340 QPJCGWKQQYXSRG-CQSZACIVSA-N 289.448 3.592 30 20 CHED Oc1ccccc1/C=N\[C@H]1COc2ccc(Cl)cc21 761787320 QJDXYTUHWKDTQD-KCXFFNSDSA-N 273.719 3.598 30 20 CHED CCON=Cc1csc(-c2ccc(Cl)cc2)n1 767464453 QPVULXRLYYUGCK-UHFFFAOYSA-N 266.753 3.834 30 20 CHED CS[C@H](C(=O)Oc1ccc(C#N)c(C)c1)c1ccccc1 765113445 OGUGAGXWCLOZOY-INIZCTEOSA-N 297.379 3.876 30 20 CHED CCCCCCC(=O)OCc1ccc(C#N)s1 1118397728 HDCDYQUWYHHGNG-UHFFFAOYSA-N 251.351 3.633 30 20 CHED C[C@H]1CCCC(=NNc2ccc(C(C)(C)C)nn2)[C@H]1C 1116515484 HQEHLVODUQLIQB-RYUDHWBXSA-N 274.412 3.998 30 20 CHED O=C(CC(C1CC1)C1CC1)OCC#Cc1ccc(F)cc1 1116319166 FTLKKJBGJGUQJU-UHFFFAOYSA-N 286.346 3.547 30 20 CHED C[C@@H]1CC(Nc2ccc(F)cc2OCC#N)C[C@@H](C)C1 779608525 CFOLZHIQTFELHY-RYUDHWBXSA-N 276.355 3.965 30 20 CHED COc1cccc(NN=C2CCc3cc(Cl)ccc32)n1 779816656 FFQVSYSAESTWEM-UHFFFAOYSA-N 287.750 3.506 30 20 CHED CC[C@H](Nc1cccc(CC#N)n1)c1cc(F)ccc1F 1116635993 AUAKGMARYGDFCG-HNNXBMFYSA-N 287.313 3.989 30 20 CHED N#Cc1ccc(NN=CCSCc2ccccc2)cc1 774368293 CFXWABRFZVJFGE-UHFFFAOYSA-N 281.384 3.889 30 20 CHED CCCC=NNc1nc2ccc(OC)cc2cc1C 777912688 XLSISWWTBYNBEG-UHFFFAOYSA-N 257.337 3.750 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 879153250 DHEBYOOLUSWLOF-OCCSQVGLSA-N 293.432 3.639 30 20 CHED CC[C@H](C)N(CC)CC[C@@](C#N)(C(C)=O)c1ccccc1 878884892 OIBMWXBNAZQZIA-MAUKXSAKSA-N 286.419 3.547 30 20 CHED C=CC[C@@H](C(=O)OCC(=C)Br)c1ccccc1 778430686 URZJAXDANKNZJP-CYBMUJFWSA-N 295.176 3.798 30 20 CHED COc1ccc(N(C)C[C@@H](C)CCC#N)cc1Cl 877181056 GUZNWPGSVLUCDE-NSHDSACASA-N 266.772 3.725 30 20 CHED COc1ccc(C)cc1C(C)=NNc1nccnc1C(C)C 773086334 QBHQLYLBCXPXLV-UHFFFAOYSA-N 298.390 3.753 30 20 CHED C[C@@H](C(=O)OCC#Cc1ccc(F)cc1)C1CCCC1 771367514 AFXDVEDPIZCRLZ-CYBMUJFWSA-N 274.335 3.547 30 20 CHED C=CCCOCc1nc(-c2cccc(C(F)F)c2)no1 771528652 YNHKFAWLOJELCQ-UHFFFAOYSA-N 280.274 3.767 30 20 CHED CS[C@@H]1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 775392067 HEVBUEDWEUCYSV-UXLLHSPISA-N 286.444 3.809 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1cncs1 777448857 RSGKYHHKYOLVOJ-HNNXBMFYSA-N 287.432 3.724 30 20 CHED C=C(C)CN(C)C(=O)c1cc2cccc(Cl)c2o1 778130295 PVOYMYGGFFHCEX-UHFFFAOYSA-N 263.724 3.734 30 20 CHED C#Cc1ccc(N2CCC[C@H]2c2ccc(OC)c(F)c2)nc1 1120862823 UEEIQASKBWHMQZ-INIZCTEOSA-N 296.345 3.552 30 20 CHED C=CCN(Cc1cc(C(C)C)c(C)cc1O)C1CC1 771640525 ODKVEBYOFGTDQC-UHFFFAOYSA-N 259.393 3.974 30 20 CHED C=C(C)CCC(=O)N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1120716425 JBRKHDFCRDOFFA-PBHICJAKSA-N 287.403 3.961 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2cc(C)cc(C)c2)c1 771453367 YIMYKRCEAUAHPH-UHFFFAOYSA-N 291.394 3.880 30 20 CHED CCC(=NNc1nccnc1C(C)C)c1ccccc1F 773079405 YRTVDZJIJSIUST-UHFFFAOYSA-N 286.354 3.965 30 20 CHED COC(=O)c1cccc(NN=C2CCC[C@@H]2C(C)C)c1 779826699 AVEOCJCNUJDZKW-CQSZACIVSA-N 274.364 3.697 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cncs2)cc1F 782324952 IZZFBLMKUPSEBC-HWKANZROSA-N 277.320 3.577 30 20 CHED C#CCCCCN[C@H](COCc1ccccc1)C(C)C 783254536 QGCMXLGVVYLXAC-GOSISDBHSA-N 273.420 3.621 30 20 CHED CC(=NOCCC1CC1)c1nc2ccccc2n1C(F)F 783555654 UEUBSFHXRFKKJH-UHFFFAOYSA-N 293.317 3.972 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1nnc(-c2ccccc2)n1C 783828680 VZOGLKPPUPTKAO-ZFWWWQNUSA-N 297.406 3.706 30 20 CHED Cc1ccc(NN=Cc2ccc(SC(F)F)cc2)nn1 781593014 MAGAGGBWJBHJLW-UHFFFAOYSA-N 294.330 3.546 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C)c(C)c2)c1 103032774 MFFUYLDKLNOZLB-UHFFFAOYSA-N 263.340 3.561 30 20 CHED C=CCC1(NC/C=C\c2cccc(F)c2)CCOCC1 886160425 SUFLFYUQGUFVNT-XQRVVYSFSA-N 275.367 3.554 30 20 CHED Cc1ccc(C2CC(=NN3Cc4ccccc4C3=O)C2)cc1 781597635 OGGYCDJMFMAWPH-UHFFFAOYSA-N 290.366 3.884 30 20 CHED C#CCn1ccc(CN(CC)CC[C@H]2CCC[C@@H](C)C2)n1 789328507 ARLQQSUUOFPZCC-IAGOWNOFSA-N 287.451 3.555 30 20 CHED C#CC[C@@H](N[C@@H](C)c1ccccc1O)c1ccccc1 783525194 LOTQICUBKWIELG-WMLDXEAASA-N 265.356 3.807 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ncc(C(C)(C)C)o1 785768000 JSPSANPEVXMWTL-HNNXBMFYSA-N 265.353 3.618 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)Cc1ccc(C#N)cc1 890609504 DCVHWRAVYXLMCY-GOSISDBHSA-N 290.366 3.594 30 20 CHED Cc1cc(C=NNc2ccccc2)cc2cccnc12 783774601 YBYNZEZOQDKOJC-UHFFFAOYSA-N 261.328 3.989 30 20 CHED C[C@@H](NC(=O)NCCCC#N)c1csc2ccccc12 784299704 VJOSZSYGGKMUDR-LLVKDONJSA-N 287.388 3.565 30 20 CHED CC(C)(C)CCNN=Cc1cnc(-c2ccccc2)nc1 782907706 NQPBHAFKSWLFRN-UHFFFAOYSA-N 282.391 3.503 30 20 CHED C=CCN(C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1)C(C)C 780597532 DRJOYPBTUAGCBK-UHFFFAOYSA-N 297.402 3.730 30 20 CHED C=C1CC(c2noc([C@H]3CCC(=O)[C@@H](C)C3(C)C)n2)C1 896877314 HZPJGXXAKHZYBG-ZYHUDNBSSA-N 274.364 3.612 30 20 CHED C/C=C(/CC)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 789662778 WEKKJDZTJWJIGC-JUSXSOTRSA-N 296.292 3.743 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(C#N)c(C)c1 784876524 XPFNMQXRVLSKHN-INIZCTEOSA-N 257.333 3.512 30 20 CHED COc1ccc(NC(=O)c2csc(Cl)c2)cc1C#N 1132547549 HGKWQQUQONZDRB-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C#CC[C@H](N[C@H]1CCCc2cccnc21)c1ccccc1 798931257 JVMXCZLAEDEIIS-ROUUACIJSA-N 276.383 3.813 30 20 CHED C=C1CCN(C(=O)N[C@@H](C)c2ccccc2Cl)CC1 891527894 ZZAQHSHOXCVSKV-LBPRGKRZSA-N 278.783 3.763 30 20 CHED C#CCN(C)C(=O)c1cc(Cl)ccc1SCCCC 790964272 YCZUFQQJAKNHGL-UHFFFAOYSA-N 295.835 3.937 30 20 CHED N#CCc1ccc(NCc2cccc3c2CCC3)cc1 593615091 ISXBMGDKWNHJSM-UHFFFAOYSA-N 262.356 3.853 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H](O)c1ccccc1 793521151 VJWZQBMRHMFDRZ-DOTOQJQBSA-N 261.409 3.835 30 20 CHED Cc1cc(NC(=O)c2ccc(CC#N)cc2)ccc1Cl 1130268102 ONAPLPBBVKAAEG-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CC1(C#N)CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 1204968556 FRFRYAXLYVNEJE-SJLPKXTDSA-N 268.404 3.806 30 20 CHED CC[C@H](CC(F)F)CN1CCCC(C)(C)[C@@H]1C#N 595463856 BBTJFQYRRRFXQE-NEPJUHHUSA-N 258.356 3.682 30 20 CHED Cc1cccnc1NN=Cc1cccc(Br)c1 790185652 IUNNXLDNMXJEAK-UHFFFAOYSA-N 290.164 3.599 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C[C@H]1C[C@H]2C=C[C@H]1C2 797405050 VFQKMOICEHCYQL-SDDRHHMPSA-N 290.798 3.863 30 20 CHED Cc1ccc(C(=O)Nc2cccc3ncccc23)cc1C#N 799297379 NEXIYIHGGFKCEP-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#Cc1cccc(NC(=O)NCc2ccc3occc3c2)c1 1202790167 VTPMYXCZMQAXPA-UHFFFAOYSA-N 291.310 3.626 30 20 CHED CC(CSC(C)(C)C)=NNc1cccc(F)n1 795009838 LVRCBKLIOMRGKX-UHFFFAOYSA-N 255.362 3.540 30 20 CHED COCC1(CNc2ccc(C#N)cc2)CCCCC1 578409070 ZAWAVZHLFIZPBM-UHFFFAOYSA-N 258.365 3.567 30 20 CHED C=CCCCOC(=O)c1cccc(C(F)(F)F)c1 735529051 UPWHWOFLTOUSOB-UHFFFAOYSA-N 258.239 3.828 30 20 CHED N#Cc1ccc(CN2CCC[C@@H](C3CC3)C2)c(Cl)c1 588978285 UYSCQJLMADUWCN-CQSZACIVSA-N 274.795 3.834 30 20 CHED C=C[C@H](C)OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 781583510 RUICIICQEVZRIN-NSHDSACASA-N 291.347 3.765 30 20 CHED Cc1cccc(C2(CN=c3cc[nH]c(C#N)c3)CCCC2)c1 1306954069 VHPZFHRRNHIVDP-UHFFFAOYSA-N 291.398 3.608 30 20 CHED C[C@@H](c1nccc2ccccc12)N(C)CC(C)(C)C#N 1308781758 GOMVRRHGJNQIAN-ZDUSSCGKSA-N 267.376 3.777 30 20 CHED CCCCc1ccc(C(C)=NNCC2CCOCC2)cc1 1318552755 PSJQJDURXQLGCS-UHFFFAOYSA-N 288.435 3.769 30 20 CHED C=CCCC[C@H](C)NC(=O)CSCc1cccs1 1319838530 QYEDWWFOQQEVCE-LBPRGKRZSA-N 283.462 3.842 30 20 CHED CCN(Cc1ccccc1C)C(=O)CC#Cc1ccccc1 1319204672 XVIOGWUUUZLULR-UHFFFAOYSA-N 291.394 3.785 30 20 CHED N#Cc1cc(F)ccc1NCCCCOc1ccccc1 1319108078 IOMLWDQGWXKWQW-UHFFFAOYSA-N 284.334 3.968 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 1323205947 PCGIBXYFUUJDFR-YVMONPNESA-N 292.334 3.800 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cccc(F)c1Cl 1323497644 UPYBAVBKKXPPLS-UHFFFAOYSA-N 287.721 3.859 30 20 CHED CC[C@@H]1C[C@H]1CNc1nc(C(C)(C)C)ccc1C#N 1651863921 LGKWZXJMHOKRTD-YPMHNXCESA-N 257.381 3.709 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2ccccc2cc1OC 1337581572 SVCQQCNEDGFYOT-OAHLLOKOSA-N 296.370 3.613 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1(C(C)(F)F)CC1 1334836000 XPOMRHWCWWJMJF-NSHDSACASA-N 292.329 3.513 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc([C@@H]2CC=CCC2)n1C 1339648634 UALWLVXOZHWEJO-HUUCEWRRSA-N 286.423 3.574 30 20 CHED C=C[C@H](CC)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 1335035807 RAHUWQRPIQABQJ-GFCCVEGCSA-N 290.363 3.548 30 20 CHED CC1CC(C#N)(C(=O)O[C@H](C)c2ccc(Cl)cc2)C1 1333213162 WMHWCZJUFTVBIS-LOIXOFCESA-N 277.751 3.884 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@@H](CC)C1 1263327806 VMLJFUWGIKNFRY-QWHCGFSZSA-N 294.468 3.515 30 20 CHED C=CCC1(C(=O)[C@H](C#N)c2cccc(F)n2)CCCC1 1344050196 MFELNOULDHFVCS-GFCCVEGCSA-N 272.323 3.533 30 20 CHED C=CCOc1ccc(CNC(=O)CC(C2CC2)C2CC2)cc1 1346956180 YCXMNXMZAUJWCX-UHFFFAOYSA-N 299.414 3.694 30 20 CHED N#Cc1ccc(N(C(=O)c2ccccc2F)C2CCC2)cc1 1437968260 VMICVGFVCMBHCI-UHFFFAOYSA-N 294.329 3.897 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccsc1C(F)F 1516236896 WIOGIZIMGPDVLU-UHFFFAOYSA-N 296.273 3.949 30 20 CHED C=C(C)CCC(=O)Nc1cc2c(cc1Cl)CCC2=O 1518087429 YNMGMDWKMTWBIR-UHFFFAOYSA-N 277.751 3.764 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@@H](CC#N)c1ccco1 1520418106 NKINUDKYBYXKBR-JSGCOSHPSA-N 267.300 3.696 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccc3scnc3c2)c1 1528047438 JAIOZDMCYQLMHS-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Cc1c(F)cccc1C(=O)OCc1ccc(CC#N)cc1 1520640404 JHEMECWORJSYSG-UHFFFAOYSA-N 283.302 3.557 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)n1C)c1ccc(Cl)s1 1527024300 FWKCCRLHOZQPBF-QMMMGPOBSA-N 294.763 3.530 30 20 CHED N#Cc1ccc(F)c(C(=O)N2CCC=Cc3ccccc32)c1 1538632008 AVETUMDMWOTNHQ-UHFFFAOYSA-N 292.313 3.761 30 20 CHED C=CCCCSc1nc(C(F)(F)F)ccc1C(=O)O 1602880679 XJEFDISLTVBLOS-UHFFFAOYSA-N 291.294 3.857 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)ccc1F)c1cccs1 1535455200 HDITUCPGCOXMGM-VIFPVBQESA-N 274.320 3.501 30 20 CHED N#CCc1cccc(NC(=O)Cc2coc3ccccc23)c1 1545048355 OXPYYMKXJKPKPY-UHFFFAOYSA-N 290.322 3.680 30 20 CHED Cc1ccc2oc(CNc3nnc(C)c(C)c3C#N)cc2c1 1472832104 ZPJNTZSIPANIGJ-UHFFFAOYSA-N 292.342 3.632 30 20 CHED Cc1cccc(C(C)(C)CNc2ncc(C#N)cc2F)c1 1611889911 YDYWLFPDEOFSBW-UHFFFAOYSA-N 283.350 3.791 30 20 CHED CC[C@H](C)[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)OC 1621198533 IXNUULKAXIGVSR-KBXCAEBGSA-N 286.419 3.584 30 20 CHED C=C(Br)CNCc1ccc(Cl)cc1Cl 122712049 FGJFTLJEDQPTMD-UHFFFAOYSA-N 295.007 3.992 30 20 CHED C=CCCCCSc1cccc(-c2nn[nH]n2)c1Cl 1588601763 UCZLIJLJFZIRLL-UHFFFAOYSA-N 294.811 3.969 30 20 CHED Cc1cc(N[C@@H]2CCC[C@H](C(C)C)C2)ncc1C#N 1655112342 XDVMZQIVSOJEIO-DZGCQCFKSA-N 257.381 3.888 30 20 CHED CCCOc1ccc(Nc2ncccc2C#N)cc1C 1655730769 TUOBKDWDGFQKCE-UHFFFAOYSA-N 267.332 3.794 30 20 CHED Cc1ccc(N(C)CCc2ccc(C#N)cc2)c(C)c1 1657016610 YBSSKJRMURQSQP-UHFFFAOYSA-N 264.372 3.854 30 20 CHED Cc1ccc(Oc2ncc(C#N)cc2F)c(Cl)c1 1651542085 MEROKOLADPGUMX-UHFFFAOYSA-N 262.671 3.847 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NCc1cc(C#N)ccn1 1653758559 FCSMDLSTACJEFO-HOTGVXAUSA-N 271.408 3.648 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CC1(C)C 1656473520 UROVUZIOSZMPSD-UKRRQHHQSA-N 260.356 3.612 30 20 CHED C=CCC[C@H](Nc1cc(CC(=O)O)ccn1)c1ccccc1 1588778710 JPBCSWAEDIEVNO-INIZCTEOSA-N 296.370 3.828 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H]2CCC(C)(C)C2)c1C#N 1651814909 MQNBYQGAVLMYIF-LLVKDONJSA-N 277.799 3.930 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(C)[C@@H](C)CCC 1593873082 QGLPHXMSMLFJCQ-NSHDSACASA-N 282.819 3.533 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(F)c(C(=O)O)c2)cs1 1777418054 UZVIAIPPKDKATL-HYXAFXHYSA-N 290.315 3.790 30 20 CHED CC(C)(C(=O)O)c1cccc(NCc2cccc(C#N)c2)c1 1776240013 UIIHZPRETJVQGY-UHFFFAOYSA-N 294.354 3.533 30 20 CHED COc1cc(C)ccc1/C=C\C(=O)c1cccc(C(=O)O)c1 1777280886 YATAEFYLHARTLK-HJWRWDBZSA-N 296.322 3.598 30 20 CHED Cc1cccc2c1CC/C(=C\c1csc(C(=O)O)c1)C2=O 1777457194 CXILVUVBZPVACQ-KPKJPENVSA-N 298.363 3.967 30 20 CHED CC1(C)CCCCC1=NNc1ccc(F)c(C(=O)O)c1 1776062557 ZJWAFICLJGTKEG-UHFFFAOYSA-N 278.327 3.892 30 20 CHED N#Cc1ccnc(SCc2ccccc2Cl)c1 5933906 FNDFMQBILFXGDT-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC(C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)=C1CCCC1 161890096 RGJLYRCDQKNSAL-ZDUSSCGKSA-N 279.343 3.630 30 20 CHED C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)CCC#N)C1 158791801 KLFHWMZVTCJDTJ-HZPDHXFCSA-N 294.439 3.514 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H](C3CC3)C2)c(F)c1 151156091 AQXKVNWITCEJNW-GOEBONIOSA-N 272.367 3.756 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(CC#N)cc1 151421922 XCOIWVLHMWJKOL-ZDUSSCGKSA-N 296.345 3.709 30 20 CHED Cc1ccc(C)c(OC[C@@H](O)c2ccc(C#N)cc2)c1C 152898303 RRRZIASKPONWKO-QGZVFWFLSA-N 281.355 3.596 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2cc(O)cc(O)c2)c1 152677025 ANAFIJGAXAVDFJ-ONEGZZNKSA-N 268.312 3.611 30 20 CHED Cc1ccc(C(=O)CCN(CCC#N)Cc2ccco2)cc1 159975708 OLNCRQJVHQWDTG-UHFFFAOYSA-N 296.370 3.577 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCc3sccc32)c1 834902113 DXIZZHIFIRJAOA-MRXNPFEDSA-N 267.397 3.897 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42091482 YPJBTEAWJHIRFF-UHFFFAOYSA-N 290.672 3.847 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1cccc(OCC#N)c1 37294486 UFLWEPOTZSGJLG-WBVHZDCISA-N 272.392 3.647 30 20 CHED COCCCCN(CCCCC#N)Cc1ccccc1 263841167 YJMUVEDNKDSYDW-UHFFFAOYSA-N 274.408 3.609 30 20 CHED C=C1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1 268418579 WEGORSRNNINYOB-UHFFFAOYSA-N 287.256 3.637 30 20 CHED N#Cc1cc(NCc2cc(F)c(F)cc2F)ccc1F 181030366 UBLNFZSWTLEBLQ-UHFFFAOYSA-N 280.224 3.727 30 20 CHED CS[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 294495014 YWAMCIJAJDJNNQ-LLVKDONJSA-N 286.322 3.519 30 20 CHED N#Cc1cncc(Oc2ccc(Cl)c3ccccc23)n1 401193556 AELYTCCPKPJYEV-UHFFFAOYSA-N 281.702 3.947 30 20 CHED C=CCN(Cc1ccccc1)C[C@@H](O)c1ccccc1F 75655598 YTFFWGZZBHXSFS-GOSISDBHSA-N 285.362 3.547 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1ncc(C#N)cc1Cl 354085374 HPKKKCKCRMAIEW-NRUUGDAUSA-N 263.772 3.843 30 20 CHED C=CCC(C)(C)CNc1c(C#N)nnc2ccccc12 383823058 IAFTYJNNNWPDPO-UHFFFAOYSA-N 266.348 3.516 30 20 CHED COc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1Cl 718924759 ZNKNKRLDLNVPKG-NSHDSACASA-N 280.799 3.767 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1O 27517972 AQASVHPTJNWRJB-FPYGCLRLSA-N 274.703 3.647 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C2CCCC2)n1 177742315 ULYGVUCMGXTTTR-NSHDSACASA-N 262.378 3.633 30 20 CHED C=C(C)COC(=O)Cc1coc2cc3c(cc12)CCC3 57471360 BOROIRJPHOXRCX-UHFFFAOYSA-N 270.328 3.583 30 20 CHED C=CC[C@H](C)NCc1cccc(OC(F)(F)F)c1 116927037 RDZMVHGKDSRAQJ-JTQLQIEISA-N 259.271 3.639 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(C)cc1 23434163 SQSDNQOYRPROKZ-KRWDZBQOSA-N 278.355 3.748 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(Cl)c1F 116998054 MMOUFRBUXYRWMF-MRVPVSSYSA-N 256.708 3.565 30 20 CHED C=CCN(C)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 119394918 NIFCNJNWGHVUSQ-INIZCTEOSA-N 290.382 3.884 30 20 CHED C[C@H]1C[C@H]1CNc1cc(Br)c(C#N)cc1F 309517650 ZACXBCLLLPQXSJ-CBAPKCEASA-N 283.144 3.528 30 20 CHED CC(C)(C#N)CCCn1c(=O)oc2cc(Cl)ccc21 177217038 VXSKQRJVITURMP-UHFFFAOYSA-N 278.739 3.578 30 20 CHED Cc1nc2c(s1)[C@H](OC(=O)c1cccc(C#N)c1)CCC2 112767720 OROGQTYSBZSIGD-CQSZACIVSA-N 298.367 3.558 30 20 CHED N#Cc1cc(NC(=O)c2cc3cc(F)ccc3o2)ccc1F 117649777 DHJKPFIGJXKVQW-UHFFFAOYSA-N 298.248 3.835 30 20 CHED C=CC1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 110360365 VXAIVIHNYBLXAI-UHFFFAOYSA-N 297.320 3.673 30 20 CHED C[C@H](C#N)Sc1nnc(CCC2CCCCC2)o1 66257514 KXWSUKCQRPLCCR-SNVBAGLBSA-N 265.382 3.587 30 20 CHED CC(C)c1ccccc1OCCNc1ccc(C#N)cn1 301234681 GZDGCYJRDVCRKT-UHFFFAOYSA-N 281.359 3.568 30 20 CHED CC(C)OCc1ccc(Nc2ncccc2C#N)cc1 177544539 TTWYTLWUTXFZNJ-UHFFFAOYSA-N 267.332 3.622 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@H](SCC)C1 175900044 SDRKFENGOHXMBY-KBPBESRZSA-N 284.469 3.658 30 20 CHED CCOc1ccc([C@@H](C)Nc2cccc(C#N)n2)cc1OC 301251000 BLAQRVXXCALKSZ-GFCCVEGCSA-N 297.358 3.534 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1cccc2ccccc12 69312313 VOIDJBGGFXFEQE-CYBMUJFWSA-N 270.328 3.726 30 20 CHED CCC[C@H](NCCCC#N)c1ccc(F)cc1F 181680953 KQIAFLWDQYDBNZ-AWEZNQCLSA-N 252.308 3.699 30 20 CHED CCc1ccc(C/N=C(/N)Nc2ccc(C)c(C)c2)s1 303888902 LQCUOGIWBHCOAE-UHFFFAOYSA-N 287.432 3.854 30 20 CHED CC[C@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)cc1 119860769 UKHFRNZDRPVWJX-WFASDCNBSA-N 275.783 3.824 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1(C)C 408470343 QRGQDHUWYYRPEU-CYBMUJFWSA-N 287.407 3.563 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCc1ccccc1 60677777 VDTUPXXPHAMGSI-UHFFFAOYSA-N 285.412 3.896 30 20 CHED 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3.737 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(C2CCCC2)c1C 182620086 IJMKBKULRCIVHS-ZDUSSCGKSA-N 289.423 3.781 30 20 CHED C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1 507246382 IPTOMYUQVWTNQX-STQMWFEESA-N 290.370 3.846 30 20 CHED C=CCCCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 181120809 KIONYULIOAIMLA-GOEBONIOSA-N 293.794 3.643 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)c1ccc(F)cc1 415542444 VAGBMNNSFUDHRZ-CVEARBPZSA-N 275.367 3.886 30 20 CHED CC[C@@H](CC#N)N[C@@H]1C[C@H](C)Sc2sccc21 216997004 DXVVCHQCGHULOY-JBLDHEPKSA-N 266.435 3.955 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC)c1ccc(C)cc1 182217527 APVIZZDSMWKFKU-OAHLLOKOSA-N 260.381 3.664 30 20 CHED C=CCC[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)C1CC1 121584811 OGORVWQDYKVLLC-AWEZNQCLSA-N 296.455 3.624 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] 128064509 MTSGCBSGUJGGGN-CYBMUJFWSA-N 295.342 3.626 30 20 CHED CC1(C)CC(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 360923294 ISDYIDLIMOIQET-UHFFFAOYSA-N 262.740 3.586 30 20 CHED CC[C@@H](CC#N)OC(=O)CCc1c[nH]c2c(C)cccc12 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437262514 KNTFUWUYUJUGMH-LSDHHAIUSA-N 253.430 3.774 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2ccc(C#N)cc2Cl)C1 430361199 UUTOZFZTMFAUDP-QWRGUYRKSA-N 276.767 3.976 30 20 CHED C=C(Br)CN[C@H]1CCC[C@@H](C(C)C)C1 230997919 JSLICQSZQVWQCB-NEPJUHHUSA-N 260.219 3.699 30 20 CHED C[C@H](C(=O)N1Cc2ccccc2[C@@H]1C)c1cccc(C#N)c1 335707294 YKGXZYOPIGQDGB-KBPBESRZSA-N 290.366 3.765 30 20 CHED N#Cc1ccncc1N[C@@H]1CCc2c(Cl)cccc21 94149875 IKIWVKLFNUKFDG-CQSZACIVSA-N 269.735 3.706 30 20 CHED C=CCN(CC=C)C(=O)c1csc2c1CC[C@@H](C)C2 98074389 VQEFFMJGHHZXPN-GFCCVEGCSA-N 275.417 3.687 30 20 CHED CC(C)(CCC#N)CN1CCc2ccc(F)cc2C1 93383844 PTUNLBIWQTZNQE-UHFFFAOYSA-N 260.356 3.514 30 20 CHED COc1ccc2oc(CN(CC#N)C3CCCC3)cc2c1 93563451 VVKOIVCBWOACLY-UHFFFAOYSA-N 284.359 3.710 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1nnn(-c2ccccc2)c1C 343511160 SUKBYJPXFXBMEZ-HIFRSBDPSA-N 284.407 3.581 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1C1CC1 433872699 ACJCFXIPEMUXQS-ROUUACIJSA-N 296.414 3.589 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCc1ccc(C(C)(C)C)cc1 349367910 QJNVJMZGWBPNRS-AWEZNQCLSA-N 286.419 3.677 30 20 CHED N#Cc1cnccc1/C=C/c1ccc2ncccc2c1 349113088 PTRJSZYYWQETON-HWKANZROSA-N 257.296 3.672 30 20 CHED C=CCCS[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 523521769 BWORRCHNPLZOSD-XJFOESAGSA-N 269.454 3.625 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(C(F)(F)F)ccn1 439368381 CRVBRKIBAJETBH-SNVBAGLBSA-N 287.285 3.577 30 20 CHED Cc1ccc(C[C@H](C)NC[C@@H](C)CCC#N)s1 602556332 KSVBJVRCJNGJIQ-RYUDHWBXSA-N 250.411 3.517 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(C(C)C)c(Cl)c1 526042935 USONBQRVXUCEQN-OAHLLOKOSA-N 278.783 3.885 30 20 CHED CSC1CCN(CC#Cc2ccc(Cl)cc2)CC1 602920831 REEQQXRRUJLQMK-UHFFFAOYSA-N 279.836 3.519 30 20 CHED N#Cc1cc(Cl)ccc1NC1CCN(C2CCC2)CC1 295969425 KDJDAISIBKKTPF-UHFFFAOYSA-N 289.810 3.640 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(Cl)c1F 435736586 YDYGMKIQZMECJY-SWLSCSKDSA-N 283.774 3.550 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(F)c(C#N)c1 609102678 OQWQGWSXRONYCV-NWDGAFQWSA-N 274.339 3.852 30 20 CHED Cc1c([C@@H](C)NC[C@H](C#N)CCC#N)oc2ccccc12 348009076 RHBMCJKXWRNUSV-KGLIPLIRSA-N 281.359 3.835 30 20 CHED N#C[C@H](Sc1nnc(-c2ccccc2Cl)o1)C1CC1 601076797 JXFISAABFVWSGW-NSHDSACASA-N 291.763 3.784 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H](CC)c1ccccc1 435747224 FQKJUTIDLODBPX-JQHSSLGASA-N 273.420 3.751 30 20 CHED CCN(Cc1cccc(C#N)n1)Cc1ccccc1Cl 602441660 XGRNUFDCXMQPOH-UHFFFAOYSA-N 285.778 3.629 30 20 CHED CSc1ccc(C(=O)/C=C\c2ccnn2C)c(Cl)c1 255139507 CKUBUOWVOBNGOW-UTCJRWHESA-N 292.791 3.692 30 20 CHED CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)C#N 345303836 RCCXNNXJJHETRV-SECBINFHSA-N 299.296 3.625 30 20 CHED C[C@@H](c1c(F)cccc1F)N(C)CC(C)(C)C#N 433309121 WVLZLVYTSVASPJ-JTQLQIEISA-N 252.308 3.507 30 20 CHED Cc1ccc(C#N)c(NCc2cccc(OCC(C)C)c2)n1 346856040 WIYRRDIXZATFPD-UHFFFAOYSA-N 295.386 3.909 30 20 CHED C=C(CNC(=O)Nc1ccc(C)nc1C)c1ccccc1 349911969 DLCJAFGPNHPYIS-UHFFFAOYSA-N 281.359 3.533 30 20 CHED CCN(CCC#N)C(=O)C1(c2ccccc2C)CCCCC1 344200687 QKILAOLBLLXSGL-UHFFFAOYSA-N 298.430 3.959 30 20 CHED CCC1(c2noc(CCc3ccc(C#N)cc3)n2)CCCC1 445785043 VVOVHHFFAZUMBA-UHFFFAOYSA-N 295.386 3.948 30 20 CHED CC1CCC(NC(=O)[C@H](C)SCCC(C)(C)C#N)CC1 342026590 RRZOGEHDUUZCKM-MOKVOYLWSA-N 296.480 3.743 30 20 CHED Oc1ccccc1C=Nc1cccc(CCN2CCCC2)c1 255063113 SOMGFSDVXZQPFB-UHFFFAOYSA-N 294.398 3.781 30 20 CHED C=CCCCSc1ccc2c(c1)OCCCO2 605076331 YJNRXHFTRZLITC-UHFFFAOYSA-N 250.363 3.906 30 20 CHED Cc1ccc(CCCN[C@@H](CCC#N)c2ccccc2)cn1 354573648 SAZAFDAENUCDTM-IBGZPJMESA-N 293.414 3.957 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)C1CCCCCC1)OCC 534416223 RBCVAFMNCXDPKG-OAHLLOKOSA-N 267.413 3.539 30 20 CHED C=C[C@@](C)(CC)c1nc(COc2cccc(F)c2)no1 443103785 CANARZWQEKDNIU-HNNXBMFYSA-N 276.311 3.641 30 20 CHED COc1cc(C)c([C@H](C)N(CCC#N)CCC#N)cc1C 602579439 BMTHDQUZSRODMU-HNNXBMFYSA-N 285.391 3.502 30 20 CHED C[C@H](O)C[C@@H](CNc1cccc(F)c1C#N)c1ccccc1 268269809 NIVXKTQBFZFWPV-ZFWWWQNUSA-N 298.361 3.664 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H](OCC)C(=C)C 535137880 MVKYICKCWZMMOR-QGZVFWFLSA-N 287.403 3.573 30 20 CHED Cc1ccc(NCc2ccc(C#N)c(C)c2)c(CN(C)C)c1 443985781 HBFOJZQMEHKTGQ-UHFFFAOYSA-N 293.414 3.849 30 20 CHED N#Cc1ccc(CN2CCC23CCC3)c(C(F)(F)F)c1 356130217 DNFMTOBWPQEXPI-UHFFFAOYSA-N 280.293 3.705 30 20 CHED C=CCC1(C(=O)N2CCCC3(CCCC3)C2)CCC1 359842710 WJGLDUOXKQKWLG-UHFFFAOYSA-N 261.409 3.916 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(N(C)C(C)C)c1 448945938 KKYBQUBDFROZLB-UHFFFAOYSA-N 260.381 3.682 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)cc2c[nH]nc12 352286434 XKKABACONYHOEY-UHFFFAOYSA-N 285.391 3.690 30 20 CHED CCOc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 353410268 GUEZFXZBURSIJE-IBGZPJMESA-N 292.382 3.734 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CNc2cccc(Cl)c2)C1 617784017 LSAUVBPTGZEQQV-CYBMUJFWSA-N 292.810 3.567 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1[C@H](C)C1(F)F)c1ccccc1 359337187 AGCLIADTFSAPAP-UBHSHLNASA-N 279.330 3.711 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(Cc1cccnc1)C(C)C 539473075 MQXVEHQLQGZMJW-OAHLLOKOSA-N 289.423 3.746 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc2cccc(F)c2o1 613365923 XETKDHRZFFKIJX-MRXNPFEDSA-N 288.322 3.630 30 20 CHED CCC(CC)CN(CCC#N)CC1(OC)CCCC1 361568912 YLOSQXRCKWEXKB-UHFFFAOYSA-N 266.429 3.597 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](CC)c1ccc(F)cc1 452778759 YXODJAKWAYTDHE-AWEZNQCLSA-N 263.356 3.648 30 20 CHED CCc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1C 537703496 KBQZETWBZDRCDU-UHFFFAOYSA-N 299.761 3.730 30 20 CHED C=CCC(CC=C)c1nc(-c2c(C)noc2C)no1 453274300 GLURYHQGGJYXRC-UHFFFAOYSA-N 259.309 3.577 30 20 CHED N#CCCN(CC1CC1)C(=O)c1ccc2ccccc2c1 264106656 UUZMORIKUWRGFX-UHFFFAOYSA-N 278.355 3.606 30 20 CHED C=CCC[C@@H](NC(=O)NCc1cccn1C)c1ccccc1 269377032 WFRNNWVWDBNEAO-QGZVFWFLSA-N 297.402 3.532 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 610169432 YWBLCZYWZOYLNU-VIFPVBQESA-N 274.707 3.547 30 20 CHED CCSCc1ccc(NC(=O)N[C@H](CC)CC#N)cc1 455858119 KPNSSCSDNFYVFO-CYBMUJFWSA-N 291.420 3.753 30 20 CHED CC[C@H](N[C@H](CC)c1ccc(C#N)cc1)C(F)F 453251373 SYGZZSNFWUJOAR-OLZOCXBDSA-N 252.308 3.643 30 20 CHED COc1ccccc1C(C)(C)CN[C@H]1CCC[C@H](C#N)C1 618570460 CTCJLKMLDOUZBD-GJZGRUSLSA-N 286.419 3.645 30 20 CHED C[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1c[nH]c2ccccc12 278948613 GXSFTTJTNJJHNU-WBMJQRKESA-N 297.402 3.716 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)Cc1ccc2ccccc2c1 272426954 PIUUDVUFNZKMAS-IBGZPJMESA-N 294.398 3.827 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCc1ccccn1 360820395 JWQYATDKPOZYDS-LJQANCHMSA-N 291.398 3.553 30 20 CHED CC(C)(CNc1cc(Cl)ccc1C#N)c1ccccn1 450621427 WTMSZJOVGAAAAN-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1cnc(C#N)c(Cl)c1 455779602 HTVUJYRTUOGSIW-SNVBAGLBSA-N 294.786 3.507 30 20 CHED COc1ccccc1CN(C)Cc1ccc(C#N)c(C)c1 362952701 UMVKCYUMWKFZAJ-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C=C(C)[C@H](NC(=O)N1CC[C@H](C)C1)c1ccc(F)c(F)c1 275137776 PKUYXQFYTNEGOR-NHYWBVRUSA-N 294.345 3.633 30 20 CHED CC(C)(CNC(=O)N1CCC(CC#N)CC1)C1CCCC1 543779635 FUUBTFBUKGZIMC-UHFFFAOYSA-N 291.439 3.538 30 20 CHED Cc1ccc(NCc2cc(C#N)n(C)c2)cc1OC(C)C 278837123 VQWALKWTGDEAOW-UHFFFAOYSA-N 283.375 3.605 30 20 CHED CCc1ccccc1CC(=O)N[C@H](C)c1ccc(C#N)cc1 276115277 XYAXGPRSHRZQAD-CQSZACIVSA-N 292.382 3.541 30 20 CHED C=CCCC(=O)Oc1ccc(-c2c(C)noc2C)cc1 277087794 FTRDNMYKQOZRRN-UHFFFAOYSA-N 271.316 3.830 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cnn(CCC(C)C)c1CC 277330897 XMNYMXSVSZJVAP-CYBMUJFWSA-N 292.427 3.578 30 20 CHED C[C@@H](NCCCC#N)[C@@H]1C[C@H]1c1ccc(Cl)s1 366013966 ZJMQDWWXECTGGV-OUAUKWLOSA-N 268.813 3.787 30 20 CHED Cc1cc(C)c2cc(CN(C)[C@H](C)CC#N)[nH]c2c1 360868735 AQIVBAAUYPUZDV-CYBMUJFWSA-N 255.365 3.519 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1ccc2c(c1)CCCC2 545519538 IBXJDTIEBFRCRC-KSSFIOAISA-N 273.420 3.543 30 20 CHED C=CCCCCS(=O)(=O)c1ccc(Cl)s1 629168894 OTFGVTPKCVGQET-UHFFFAOYSA-N 264.799 3.532 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452643328 JAWQDFOWLNCVEJ-IAQYHMDHSA-N 276.767 3.781 30 20 CHED N#CC1(C(=O)Nc2cccc3cc[nH]c23)CCCCC1 548474952 XIGVOBMUONURMA-UHFFFAOYSA-N 267.332 3.580 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1ncc(C#N)cc1[N+](=O)[O-] 450436190 GMNWIYSCEQYBCK-GFCCVEGCSA-N 296.330 3.651 30 20 CHED Cc1ccnc(N2CC[C@H](c3ccccc3)[C@@H]2C)c1C#N 541280206 YTFMJIULAWLADJ-HOCLYGCPSA-N 277.371 3.644 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 279938590 LMTPLZIXZYAPGU-ZBFHGGJFSA-N 287.378 3.628 30 20 CHED CC#CCCCC(=O)N(CCC)Cc1ccc(C)cc1 547337153 JHDBOLXUHOXGSD-UHFFFAOYSA-N 271.404 3.927 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C)C[C@H]1CC 460374543 LNRYKOYGCIDKTP-UKRRQHHQSA-N 288.439 3.747 30 20 CHED C=CCCCc1nc(-c2cnc3ccccc3c2OC)no1 545727901 SLDZJDGDPSOTBD-UHFFFAOYSA-N 295.342 3.802 30 20 CHED C=C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2CC)CC1 549342471 TZJFFORNNITKLB-DLBZAZTESA-N 269.388 3.531 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)N[C@H](C#N)C(C)(C)C 464716179 ZQUKSWZKQSQHKL-HUUCEWRRSA-N 278.440 3.893 30 20 CHED CC1(c2ccccc2)CC(NCc2cc(C#N)cs2)C1 547374951 POZKPRDMLPEMOE-UHFFFAOYSA-N 282.412 3.830 30 20 CHED C=CCC1(NCCc2cccc(C)n2)CCCCC1 625934242 GHFXUQHKGBTNNK-UHFFFAOYSA-N 258.409 3.801 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)nc2ccccc12 464168955 KBICQSSQXZPBLK-GOSISDBHSA-N 295.386 3.601 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccccc1)C(C)(C)C 622942823 AOSYOFHAONBJKZ-AWEZNQCLSA-N 259.393 3.993 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncc(C#N)cc1Cl 462110213 SULHBEAEQGGHSN-MPKXVKKWSA-N 275.783 3.764 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCOc1c(C)cccc1C 467927263 NNCGOPGOHHURRT-GOSISDBHSA-N 289.419 3.791 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ncc(Cc2ccccc2)s1 285062913 JMBNBCLMPMMPBD-INIZCTEOSA-N 299.399 3.612 30 20 CHED C=CCN(C(=O)CC1CC(c2ccccc2)C1)C1CC1 281282471 IASSEVSLGQVYJV-UHFFFAOYSA-N 269.388 3.747 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@H]1CCC(=O)[C@H]1C 280780268 NKYJUKQTDOJSGQ-DOTOQJQBSA-N 299.414 3.597 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](N[C@@H]1CCC[C@H](C#N)C1)C2 463293272 GSBDCLPTVHXNCQ-XGYYKPKNSA-N 260.425 3.873 30 20 CHED C=C(C)CCc1noc(C[C@H](C)c2ccccc2OC)n1 285260198 XSDPYQYUZCDGKQ-ZDUSSCGKSA-N 286.375 3.933 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)C1CC1 556950919 ACMINJKFWYSWNX-NUEKZKHPSA-N 261.409 3.770 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 466128612 LUVBEILJVKPLSK-OFQRWUPVSA-N 283.375 3.649 30 20 CHED Cc1cnn(C)c1/C=C1\C[C@H](C)c2ccccc2C1=O 285084181 LGOFXJAFRKIFOG-GJSJWPQCSA-N 266.344 3.502 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)CC(C)(C)C#N)C1 286427875 RPUWCMCNQGVPEC-UKRRQHHQSA-N 270.376 3.536 30 20 CHED CCC[C@@](C)(CC)C(=O)N(C)Cc1ccc(C#N)cc1 280960811 SHLIYJUUINKAQL-QGZVFWFLSA-N 272.392 3.733 30 20 CHED N#Cc1cnc(N2CCc3cc(Cl)ccc32)c(Cl)c1 557692674 KBUSKBCRKOPORL-UHFFFAOYSA-N 290.153 3.954 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@@H](OC)C1)c1ccc(Cl)cc1F 809698719 FWQGEBYHSSYXSS-IOASZLSFSA-N 295.785 3.701 30 20 CHED Cc1ccc2c(c1)CN(c1ccc(C#N)c(Cl)c1)CCO2 553675822 VRQCJRXFCSGNIB-UHFFFAOYSA-N 298.773 3.919 30 20 CHED C=CCCC1(C(=O)NCCCc2ccccc2F)CC1 478115960 PDXQXVHIXZHRQT-UHFFFAOYSA-N 275.367 3.621 30 20 CHED CCC(=O)c1ccc(OC(=O)CCCCCC#N)c(F)c1 805898435 KFXMZNIRJGYXPX-UHFFFAOYSA-N 291.322 3.798 30 20 CHED c1ccc2c(c1)CCC(=NNc1nccnc1C1CCC1)C2 807994460 SRDYUUPFGSIVNI-UHFFFAOYSA-N 292.386 3.701 30 20 CHED C#Cc1ccc(CN[C@@H](C#C)c2ccc(Cl)cc2F)cc1 809698741 GAHMNQKABIJIJN-SFHVURJKSA-N 297.760 3.925 30 20 CHED C#C[C@@H](NC(=O)C[C@H](CC)c1ccccc1)C(C)(C)C 807881558 NDTMIQMMYUFYIO-GOEBONIOSA-N 271.404 3.734 30 20 CHED Cc1nn(C)c(Cl)c1/C=C1\C(=O)c2ccccc2[C@@H]1C 809159916 ZFBDPBWOJCOKQZ-LMRAXHDRSA-N 286.762 3.765 30 20 CHED C=CCCCCNC(=O)Nc1ccc(COCC)cc1 473689390 HFDPWZQHDZKHPC-UHFFFAOYSA-N 276.380 3.701 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2c(cnn2C(C)C)c1 806281123 NSHBLGWBZYWQEF-AWEZNQCLSA-N 298.390 3.541 30 20 CHED N#Cc1ccc(NCC2(CO)CC(c3ccccc3)C2)cc1 569427380 LNITUVTWNDPOKM-UHFFFAOYSA-N 292.382 3.526 30 20 CHED CCOC(=O)c1csc(/C=C\c2ccc(C#N)c(C)c2)n1 806563742 YNVOMMHBUIVKQJ-ALCCZGGFSA-N 298.367 3.670 30 20 CHED C=CCC[C@H](CCC)Nc1ccc(CCO)cc1OC 567200859 ZXERPYZLZNKKKI-HNNXBMFYSA-N 277.408 3.777 30 20 CHED CSc1ccnc(N[C@H]2CCCc3cc(C#N)ccc32)n1 569008950 QBQFFFKPXNBDRK-AWEZNQCLSA-N 296.399 3.560 30 20 CHED Cc1nc(-c2nc(C3CCCCCC3)no2)ccc1C#N 563143122 UMMXPFKCRONMGX-UHFFFAOYSA-N 282.347 3.750 30 20 CHED CC(C)CC[C@@H]1CCCCN1Cc1ccc(C#N)cn1 567910591 CLWOAXZBXJBWTE-KRWDZBQOSA-N 271.408 3.744 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@H](SC)C1)c1ccccc1 295593636 RQCIOPMOWOJPOT-HOTGVXAUSA-N 289.444 3.700 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CC12CCCC2 474363511 VKCCRRXSALAYNQ-CQSZACIVSA-N 298.386 3.864 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(CCC#N)Cc1ccccn1 294565437 LGWGIINTOPQJJU-DOTOQJQBSA-N 299.418 3.540 30 20 CHED C=CCN(Cc1ccnn1C(C)C)c1ccccc1 475099431 PCRJPIFSPOYPJN-UHFFFAOYSA-N 255.365 3.657 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(CC#N)cc1 294267562 DRYDUSQBHBJDJU-UHFFFAOYSA-N 291.354 3.586 30 20 CHED C=CCC1(C(=O)Nc2ccccc2OCCF)CCC1 297793493 RQBYRWWTPGTZBJ-UHFFFAOYSA-N 277.339 3.720 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2(CC(C)C)CC2)cc1 569050589 QGVOKZKUBHQPSN-INIZCTEOSA-N 284.403 3.756 30 20 CHED CC(C)(CCC#N)CNc1ccc([C@H]2CCOC2)cc1 293070064 SVIPNGBCNNPYKI-HNNXBMFYSA-N 272.392 3.932 30 20 CHED C=CCC[C@H](O)CN(CC)[C@H](CC)c1ccccc1 472778061 MHKUYFUNFDJSSY-DLBZAZTESA-N 261.409 3.787 30 20 CHED N#Cc1ccc(CNc2cccc(Cl)n2)cc1Cl 800883798 GXBYZIKPGJWWLU-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C#CCON=C(C)c1ccc(-c2cccs2)cc1 812232891 KWSIFKQXOXZNKW-UHFFFAOYSA-N 255.342 3.789 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(OC)CCCCC1 483353619 SPEHXSMFFSXSGM-UHFFFAOYSA-N 296.455 3.724 30 20 CHED C#Cc1ccc(CNc2cc(OC)c(C)c(OC)c2)cc1 816619997 DTSZUIJODQXKFS-UHFFFAOYSA-N 281.355 3.606 30 20 CHED C=C[C@H](Cc1nc(-c2ncoc2C)no1)c1ccccc1 569432218 QYUDJOUSBZKYQL-GFCCVEGCSA-N 281.315 3.545 30 20 CHED C[C@@H](NN=C1CC(c2ccc(F)cc2)C1)c1ccncc1 819816822 PTCFTNVLVQUZKC-KEKZHRQWSA-N 283.350 3.805 30 20 CHED C=CCC[C@H](C)N[C@@H]1C[C@@H](OCC)[C@@H]1Oc1ccccc1 482514380 UJVYBKMHJMUKCJ-DZOHQFGASA-N 289.419 3.556 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)o1 486895080 BVVSTEIPLSMFAN-HZPDHXFCSA-N 280.371 3.967 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 481304449 DFIALILBJUOREK-PMPSAXMXSA-N 281.440 3.785 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 488928104 ZYSQCNVYKALXMS-SOUVJXGZSA-N 284.403 3.784 30 20 CHED C#CCCCCCC(=O)NCCc1ccc(C=C)cc1 812551274 GSDZMURACAKEKR-UHFFFAOYSA-N 269.388 3.572 30 20 CHED c1ccc2c3c([nH]c2c1)CC(=NOC1CCCC1)C3 814895530 YQJLHJSWJTUMPP-UHFFFAOYSA-N 254.333 3.582 30 20 CHED C=CCCCCCCCNC(=O)c1c(C)noc1C 811589777 GAPTUOIKXWOJHP-UHFFFAOYSA-N 264.369 3.548 30 20 CHED CC(C)CON=Cc1nc2cc(Br)ccc2o1 817326117 MVNHJDHIBDCDPP-UHFFFAOYSA-N 297.152 3.597 30 20 CHED Fc1ccc(NN=C2CCc3cccnc3CC2)c(F)c1 817320992 BGZZTGYJABDEIA-UHFFFAOYSA-N 287.313 3.707 30 20 CHED C#C[C@H](Nc1snc(C)c1C#N)c1ccc(Cl)cc1 811862673 KJQFHOYOACDASI-ZDUSSCGKSA-N 287.775 3.763 30 20 CHED C=CCCCOC(=O)c1nsc2ccc(C)cc12 815506621 DWFNAZPVHDEIOX-UHFFFAOYSA-N 261.346 3.728 30 20 CHED C#C[C@@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 811944882 LGVJFHUJSXZPDW-CYBMUJFWSA-N 275.760 3.506 30 20 CHED C=CCN(C)C(=O)Nc1ccc(CCC(C)C)cc1 573900705 VAFPVZJYHPEWNI-UHFFFAOYSA-N 260.381 3.925 30 20 CHED CC(C)(C)c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 579644249 BXHJOOMMTIRKTI-UHFFFAOYSA-N 269.348 3.835 30 20 CHED N#Cc1cccnc1/C=C/c1cccc(Br)c1 485976297 LHCKFBQYDBUIFP-VOTSOKGWSA-N 285.144 3.886 30 20 CHED C=CCCC1(c2nc(-c3cc(C)c4[nH]cnc4c3)no2)CC1 574318135 UYLDIYBOLTXCMZ-UHFFFAOYSA-N 294.358 3.919 30 20 CHED CC1(C)CC(=NOC/C=C\Cl)c2ccoc2C1 811671878 LZWIPTMGSTUNAJ-BXKYSPFBSA-N 253.729 3.725 30 20 CHED CCCCOC(=O)c1occc1COc1cccc(C#N)c1 726691830 LQJKBCHMULZSPA-UHFFFAOYSA-N 299.326 3.687 30 20 CHED C=CCOc1ccc(CNC2CC3(CCC3)C2)cc1OC 652041803 SFQRIFDHGZGFEH-UHFFFAOYSA-N 287.403 3.682 30 20 CHED C=CCCCCSc1nc(=O)cc(O)n1C1CCCC1 576194769 BIDHANALYBVMJV-UHFFFAOYSA-N 294.420 3.512 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CS[C@H](C(C)C)C1 814824078 IGFARWAUMHJFPB-AWEZNQCLSA-N 293.392 3.833 30 20 CHED CC(=NOC1CCC1)c1ccc(Br)cc1 812236527 OPIFEIIRDKDAQB-UHFFFAOYSA-N 268.154 3.742 30 20 CHED C#Cc1cccc(NC(=S)N(CCC#N)CC(C)(C)C)c1 729645907 KPVIKGUOSXEEJJ-UHFFFAOYSA-N 299.443 3.626 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 573893408 FWRMVUMCCAXGKU-STQMWFEESA-N 290.363 3.559 30 20 CHED CC#CCCCc1nc(Cc2ccc(F)cc2Cl)no1 576191889 FCBBXBRFACRNPD-UHFFFAOYSA-N 292.741 3.799 30 20 CHED Cc1ccc(-c2ncc(CNCC3(C#N)CC3)s2)cc1 579427564 WQJGXOIJHTZUHK-UHFFFAOYSA-N 283.400 3.512 30 20 CHED CCC(CC)CNC(=S)Nc1ccc(C#N)c(Cl)c1 729642196 HAKSWOBFTAKZGE-UHFFFAOYSA-N 295.839 3.934 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C\c1cc(OC)ccc1O 727781848 YMMCVFRKIRHCIJ-UEIJICEPSA-N 283.371 3.841 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C/C(Cl)=C/Cl 823617437 JEPQNMXTVIQKFS-QVASGMJFSA-N 269.175 3.870 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1csnn1)CS2 588523565 WHRHXZZQIBQXHG-BJMVGYQFSA-N 288.397 3.527 30 20 CHED CC(C)C#CC(=O)N1CCCCC[C@H]1c1ccccc1 822693712 ZEUJWLOKVZYRFJ-KRWDZBQOSA-N 269.388 3.790 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Cc1ccc(OCC)cc1 665433173 WAKXDFVWQFFSDA-HNNXBMFYSA-N 289.419 3.736 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1ccccc1OC(C)C 584452479 HOQASLMIVJNUQA-AWEZNQCLSA-N 290.407 3.800 30 20 CHED CC#CCN(C)C(=O)c1ccccc1Nc1ccccc1 584193859 ISUOJCIYQYVXHT-UHFFFAOYSA-N 278.355 3.526 30 20 CHED C=CCCCN(CC)Cc1c(Cl)cccc1C(=O)O 903961389 UONCLTXLGWAUGJ-UHFFFAOYSA-N 281.783 3.826 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CCCCCC#N)C1 588263425 XSUWGQZDQHRZAL-WMLDXEAASA-N 276.424 3.888 30 20 CHED C=CC[C@H]1N(c2nnc([C@@H](C)CC)n2C)CCCC1(C)C 582514290 GISRWVLWOVSIND-UONOGXRCSA-N 290.455 3.900 30 20 CHED C=CC[C@@H]1CCCN(Cc2sccc2OC)C1 668493549 OYLLDVIDAHBMSK-GFCCVEGCSA-N 251.395 3.545 30 20 CHED C#CCN(C(=S)Nc1cc(Cl)cc(Cl)c1)C1CC1 491666571 WTPIRHAKMUEEMC-UHFFFAOYSA-N 299.226 3.788 30 20 CHED O=C1/C(=C\c2ccnc3ccccc23)COc2ccccc21 731835517 HCIHOTDBPNDMQH-KAMYIIQDSA-N 287.318 3.894 30 20 CHED CCCCCCCOC(=O)/C=C/c1cnc(C)s1 732866518 HYWQORRTEDFWCL-CMDGGOBGSA-N 267.394 3.978 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H]1CCc2c(Cl)cccc21 732506820 LYPRKMZMUMESFN-NHYWBVRUSA-N 294.778 3.852 30 20 CHED CC#CCCNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 498606062 NCXLAEFQABPJFU-LBPRGKRZSA-N 297.320 3.729 30 20 CHED C=CCNC(=S)N(c1ccccc1)[C@H](C)C(C)C 905572189 VHNANLMUQNPBNV-CYBMUJFWSA-N 262.422 3.598 30 20 CHED C=C1CCC(C(=O)Nc2ccc(CN(C)C)cc2C)CC1 909596065 HHRKKNMLFXZAGQ-UHFFFAOYSA-N 286.419 3.742 30 20 CHED C[C@H](C=NOCC(F)(F)F)c1cc(F)cc(F)c1 834965301 MYTUOXAZSNUMKZ-SSDOTTSWSA-N 267.197 3.633 30 20 CHED C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1 903337502 DIKYDOKQSJXOOH-ACJLOTCBSA-N 277.371 3.755 30 20 CHED CC1=CC(=NNc2cc(C(F)(F)F)ccn2)CC1 834983845 VFBQCLRMZSRSHI-UHFFFAOYSA-N 255.243 3.608 30 20 CHED CC(C)(C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730416702 GZMZGLXCLSEIJQ-VIFPVBQESA-N 276.336 3.658 30 20 CHED CC[C@H](NCc1ccc(OC)c(F)c1)c1cccc(C#N)c1 902733130 NNQCWCFSMSPTDQ-KRWDZBQOSA-N 298.361 3.947 30 20 CHED CCc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)s1 731156779 LSNCJFNNNVSNEK-ZSOIEALJSA-N 286.352 3.941 30 20 CHED C[C@@H]1/C(=C/c2cccc(C3CC3)c2)C(=O)c2nccn21 901566143 RFJWYXCNVMTTQO-MKVLZVNKSA-N 264.328 3.601 30 20 CHED CCCCCCCC(=O)Nc1ccnn1C(C)(C)C 730484432 QXIFFPOLKWHPEK-UHFFFAOYSA-N 265.401 3.937 30 20 CHED C=CC[C@H](OC(=O)CSC1CC1)c1ccccc1 835324709 RZXFCWVQQKHLMM-AWEZNQCLSA-N 262.374 3.743 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccsc2C)c1C 834422090 YQHCGIZOPYAJJO-SREVYHEPSA-N 274.389 3.786 30 20 CHED Cc1oncc1CS[C@@H](C)c1ccc(C#N)cc1 853766955 IZZPCZSRDVTXRN-NSHDSACASA-N 258.346 3.849 30 20 CHED C=CCCC(=O)CSc1nnc(-c2ccccc2F)o1 677804738 JWYCEDLXSUYOOJ-UHFFFAOYSA-N 292.335 3.503 30 20 CHED CCC(=NNc1nccnc1Cl)c1ccc(C)cc1 733078555 FMKHLYHZKRNFBU-UHFFFAOYSA-N 274.755 3.665 30 20 CHED C=C(Br)CN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 736946551 PSFNBZCNRCMWTC-AAEUAGOBSA-N 298.199 3.912 30 20 CHED Oc1ccccc1/C=N/Cc1ccc(OC(F)F)cc1 839387664 RQLUZXDJVGVMJB-VCHYOVAHSA-N 277.270 3.613 30 20 CHED COc1ccccc1/C=C\C(=O)c1cnn(C(C)C)c1C 588559921 WRIAWXIMWHUHGJ-KTKRTIGZSA-N 284.359 3.677 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(F)c(CC)c1)OCC 672112617 QTAWTFYKVYHVAC-HNNXBMFYSA-N 279.355 3.698 30 20 CHED C=C(Cl)CNC(=O)c1ccc(OCCC(C)C)cc1 736245984 JRUQBLDXXJLVKG-UHFFFAOYSA-N 281.783 3.594 30 20 CHED CCn1cc(C=NNc2ccc(Cl)nn2)c2ccccc21 915048900 MMTZONOESBBWOK-UHFFFAOYSA-N 299.765 3.551 30 20 CHED C=C(C)COC(=O)c1cnn(Cc2ccccc2)c1CCC 915555601 ZFQXSQACKVLWEH-UHFFFAOYSA-N 298.386 3.617 30 20 CHED CC[C@H](OCCn1ccc(C#N)c1)c1ccccc1 593236323 CDWZTSUBQKMPLL-INIZCTEOSA-N 254.333 3.528 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C#CC1CC1)CCC2 837503973 LMVVKCVQMWKGJW-SFHVURJKSA-N 281.399 3.717 30 20 CHED CCCC[C@@H](C(=O)N(C)c1ccccc1C#N)C(C)C 598820786 WGKLRHSEWJNJEH-OAHLLOKOSA-N 272.392 3.983 30 20 CHED C=CCNC(=S)N(CC)[C@@H](CC)c1ccccc1 745687010 FWVYPIZOQVDHFB-AWEZNQCLSA-N 262.422 3.520 30 20 CHED N#CCSCCCN(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 745943002 XKJOKMJHHGGLKR-JYJNAYRXSA-N 292.492 3.924 30 20 CHED CN(C[C@H]1CC1(C)C)C(=O)Nc1ccc(C#N)cc1Cl 596802685 UNEJFRBMHWHPCI-LLVKDONJSA-N 291.782 3.721 30 20 CHED N#CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1ccc(Cl)cc1 592653424 UJYVEXCCAMKZPP-TYNCELHUSA-N 288.778 3.633 30 20 CHED C=C(CNC(=O)[C@H](C)c1ccccc1)c1ccccc1 672479841 NEEGMVMLLNIGCD-OAHLLOKOSA-N 265.356 3.620 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCC=C(Cl)Cl 849821634 SDZYSDLIADKQBS-JTQLQIEISA-N 298.169 3.599 30 20 CHED N#Cc1cnnc(SC2CCC(C(F)(F)F)CC2)c1 596258234 GVXKOAVUEAGETB-UHFFFAOYSA-N 287.310 3.561 30 20 CHED Cc1ccc(C(F)(F)F)c(NC(=O)NCC(C)(C)C#N)c1 597078291 LDNUGQDGARWZMV-UHFFFAOYSA-N 299.296 3.685 30 20 CHED CC[C@@H](C#N)C(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 593414104 GRVGWTUSOQKDAX-NEPJUHHUSA-N 290.794 3.942 30 20 CHED CC(C)C[C@@H](C(=O)O[C@@H](C)C#N)c1ccc(Cl)cc1 849871124 MRJFMIUKPARFTD-SMDDNHRTSA-N 279.767 3.925 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C/c2cc(OC)ccc2O)C1 749007412 HERFDMXHERSKMW-YZTBUCIPSA-N 293.432 3.884 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C#N)c1)CC2 741847697 KPYAGNTXZMCHAR-MHWRWJLKSA-N 289.334 3.779 30 20 CHED CCCn1cccc1C=NNc1ccc(F)cc1F 918151388 RGJRDBTYTFVBGC-UHFFFAOYSA-N 263.291 3.622 30 20 CHED CCOc1ccc(O)c(/C=N/CCCc2ncccc2C)c1 840711598 ZYIXRLZQVZNTHW-CPNJWEJPSA-N 298.386 3.546 30 20 CHED Cc1cscc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593995951 HCXOFUUJJBLBRS-NSHDSACASA-N 284.384 3.746 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cccc(C#N)c2)CCCC1 590672859 CLYWEMMCRQPNHJ-CQSZACIVSA-N 282.387 3.872 30 20 CHED N#CC[C@H]1CCCN(c2nccc3ccc(F)cc23)C1 596331481 YNGYBSXWHMRUMS-GFCCVEGCSA-N 269.323 3.504 30 20 CHED COc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccc1C 748679628 ISSQDQKAWZNLPH-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED CCCCCC[C@@H](C)C(=O)N(CCC#N)CC(C)C 742057380 NRPMUTFNAANZPG-OAHLLOKOSA-N 266.429 3.991 30 20 CHED N#CCC[C@@H](/N=C\c1cccc(O)c1O)c1ccccc1 747690619 PESKXFMQLXNHGG-VUFYJBQKSA-N 280.327 3.562 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C/C2CCCC2)cc1 843596060 YMOFBJATZZHYGN-KQPPXVQYSA-N 282.387 3.676 30 20 CHED C=CCCOC(=O)Cc1c(C)nc2ccccc2c1C 740183711 LPOVBEUXFCTQBS-UHFFFAOYSA-N 269.344 3.513 30 20 CHED COc1ccc(O)c(/C=N\Cc2cccc(OC(C)C)c2)c1 915981194 NSKJCVUZWCBQLK-UNOMPAQXSA-N 299.370 3.807 30 20 CHED CCCCCCCS(=O)(=O)Cc1ccc(Cl)cn1 840939473 UVIKEOFNKXLEHO-UHFFFAOYSA-N 289.828 3.620 30 20 CHED C=CC[C@@H]1N(Cc2cc(C)ccn2)CCCC1(C)C 683528249 HILJCRBSSVSXNL-INIZCTEOSA-N 258.409 3.957 30 20 CHED N#Cc1ccc(C(=O)N[C@H](C2CCCCC2)C2CCC2)o1 843716580 PTUHVUCXZFJUFD-MRXNPFEDSA-N 286.375 3.630 30 20 CHED Cc1c(NN=C[C@H](C)C(C)(C)C)cccc1C(=O)O 844622605 HFQGSKSJJGBUAY-JTQLQIEISA-N 262.353 3.773 30 20 CHED CC(C)(C)c1nc(CNCCc2ccc(C#N)cc2)cs1 594954197 FDURNZFBNXURGQ-UHFFFAOYSA-N 299.443 3.645 30 20 CHED Clc1ccc(C=NOCc2cccnc2)cc1Cl 746577736 TVRLEAHQBWVQGK-UHFFFAOYSA-N 281.142 3.939 30 20 CHED N#C[C@H](C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1nc(C2CC2)cs1 842936850 AUOXOJYAAJNKKD-XYJRDEOASA-N 286.400 3.633 30 20 CHED CCCCCCCCN1CCC2(CC1)[C@@H](OCC)C[C@H]2O 741257773 XRMQRWWHLPFOPC-SJORKVTESA-N 297.483 3.599 30 20 CHED CCCCOc1ccc(/C=C\C(=O)c2cnn(CC)c2)cc1 920991495 KXNVBALARAKKEU-FLIBITNWSA-N 298.386 3.978 30 20 CHED C=C[C@H](C)ON=Cc1nc2cc(C(F)(F)F)ccc2n1C 844620892 AQMNSICPBDRFHL-VIFPVBQESA-N 297.280 3.517 30 20 CHED CC(C)(C#N)CCCn1ccnc1[C@H](O)C1CCCCC1 849948524 RMRXAQSBMJHLFW-OAHLLOKOSA-N 289.423 3.827 30 20 CHED N#CCCCCOC(=O)CCC1CCCCCC1 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Cc1nc(C2CC2)ccc1C(=O)O[C@@H](C)CC(C)(C)C#N 893179092 YHULTBWLWOIAKT-NSHDSACASA-N 286.375 3.753 30 20 CHED C=CCCCCCC(C)=NNc1ncccc1[N+](=O)[O-] 789023760 OLFHJLKTJFWZBV-UHFFFAOYSA-N 276.340 3.914 30 20 CHED C=C1CC(c2noc(C3(c4ccccc4F)CC3)n2)C1 896884226 XDRLXUDLVAHAIT-UHFFFAOYSA-N 270.307 3.722 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNCCC(F)(F)F 794551117 BPGPJGANDAKSAK-UWVGGRQHSA-N 250.308 3.731 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 791065912 DBKDFSYSUNLYBZ-HOTGVXAUSA-N 284.403 3.581 30 20 CHED CSCCON=C1C[C@H]2CCCc3cccc1c32 794573496 DKZFKDIWEAKDKL-GFCCVEGCSA-N 261.390 3.594 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNCCC(F)(F)F 797403793 ZIUHRJIYKSNPJD-NXEZZACHSA-N 250.308 3.731 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2sccc2Br)C1 192977916 GVHYKWOJUUYZDC-VHSXEESVSA-N 299.237 3.683 30 20 CHED COCCCC(C)=NNCc1cccc(Cl)c1Cl 790180707 JYHYKEYYEBQUGQ-UHFFFAOYSA-N 289.206 3.886 30 20 CHED CSCCON=C(C)c1cccc(-c2ccncc2)c1 794572364 POOUOMIAHGQKKA-UHFFFAOYSA-N 286.400 3.852 30 20 CHED COc1ccccc1CON=Cc1ccc(F)cc1F 799118000 SSUVODOANJKNGF-UHFFFAOYSA-N 277.270 3.524 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1cccc(C(F)(F)F)c1 794692839 YCOSUZJHVRRJAA-VOTSOKGWSA-N 294.276 3.643 30 20 CHED Cc1ccc(C)c(NC(=O)NCCc2ccc(C#N)cc2)c1 1202769940 OJYVHGLGLWJIBQ-UHFFFAOYSA-N 293.370 3.539 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccnc(F)c2)c1 794721106 WRFGXTPLBLEFKV-VOTSOKGWSA-N 271.291 3.516 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc2ccccc2n1 796461770 PVLUWJORCUCPIM-UHFFFAOYSA-N 269.344 3.880 30 20 CHED C=CC[C@@H](NCc1cn(C(C)C)nc1C)c1ccncc1 798492268 BSTUAYQVBGXKDO-QGZVFWFLSA-N 284.407 3.574 30 20 CHED C=C(CN(C)C)C(=O)Nc1ccc(-c2ccccc2)c(C)c1 792836746 UUOJBHWIRCFPPR-UHFFFAOYSA-N 294.398 3.718 30 20 CHED C[C@@H]1CN(CCCCC(C)(C)C#N)CCC1(F)F 573648569 QFZQIKZNZORABF-GFCCVEGCSA-N 258.356 3.684 30 20 CHED CCC(C)(C)C1CCC(Nc2cc(C#N)cnn2)CC1 1306924305 FCGBEXLXEFIHLN-UHFFFAOYSA-N 272.396 3.755 30 20 CHED N#Cc1ccc(NC(=O)CC#Cc2ccccc2)c(Cl)c1 1319279879 WBPLMVCMJMSRIS-UHFFFAOYSA-N 294.741 3.592 30 20 CHED C=C(Cl)COc1ccc(C)c2c1C(=O)C[C@@H]2C 1317753425 GRBMMVLYUXMSQZ-VIFPVBQESA-N 250.725 3.816 30 20 CHED O=C(CC#Cc1ccccc1)N(CC1CCCCC1)C1CC1 1319654210 BQESOIUNPWNLNQ-UHFFFAOYSA-N 295.426 4.000 30 20 CHED C=CC1CCN(C(=O)C(F)(F)c2ccccc2C)CC1 1319700216 COWAOJYJCSRXKZ-UHFFFAOYSA-N 279.330 3.511 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cccc2c1CCC2 1249458396 UGVNWWZUOLEAJR-UHFFFAOYSA-N 276.383 3.679 30 20 CHED C#C[C@@H](NC(=O)C(F)(F)c1ccc(Cl)cc1)C(C)(C)C 1323588312 NEXQZKPWSVEPEB-GFCCVEGCSA-N 299.748 3.596 30 20 CHED Cc1ccc(OCC2(CC#N)CC2)c2c1[C@H](C)CC2=O 1327675561 VVAQVCTZGATODF-GFCCVEGCSA-N 269.344 3.758 30 20 CHED C=CCCCCCCNC(=O)c1cc(C(C)C)nn1CC 1328698918 IEQBMJOOJRGKNS-UHFFFAOYSA-N 291.439 3.893 30 20 CHED C[C@H](NC(=O)N[C@]1(C)CCCC[C@H]1C)c1cccc(C#N)c1 1248681336 FNWBOGJUDSQQJA-QWQRMKEZSA-N 299.418 3.887 30 20 CHED N#Cc1cnnc(NCc2ccc(-c3cccs3)cc2)c1 1186973834 QICDGHQXUQODMF-UHFFFAOYSA-N 292.367 3.689 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC(C)(C)C2(C)C)cc1 1321511284 LDXAEWVEKNLRLF-UHFFFAOYSA-N 284.403 3.748 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)c1ccc(Cl)s1 1322550860 OMCSJUPVBMKOEK-UHFFFAOYSA-N 298.154 3.574 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3cccc(CC#N)n3)C2)cc1 1256071120 WBFVYBHYUKEMJI-RDJZCZTQSA-N 291.398 3.839 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(Cl)c2occc12 1337580918 NOAOEJSMAFCEPS-JTQLQIEISA-N 290.750 3.850 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@H](C)c1c(C)noc1C 1337489290 SKLJHQQRHMQBDJ-WFASDCNBSA-N 290.407 3.742 30 20 CHED C=C[C@@H](Cc1nnc(-c2cccn2C)o1)c1ccccc1 1345841033 BMMLAAZTZRCSPJ-ZDUSSCGKSA-N 279.343 3.587 30 20 CHED CCCCCCCCCN(C)C(=O)c1occc1N 1345469785 KGMMKLGPVJTABD-UHFFFAOYSA-N 266.385 3.684 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(OC)c1F 1345292580 LJDUNTPPLAERLJ-GFCCVEGCSA-N 292.354 3.797 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(Br)co1 1262655092 BCTFJPKPFLNTSV-NSHDSACASA-N 298.180 3.613 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C 1263777700 UIJRLFGMLKIHAW-VXGBXAGGSA-N 277.330 3.778 30 20 CHED CC[C@H](CC#N)OC(=O)CCc1ccc(SC)cc1 1344869970 SELPANGAGNYMCO-CYBMUJFWSA-N 277.389 3.577 30 20 CHED N#Cc1cccc(C[S@@](=O)Cc2ccc(Cl)cc2)c1 107938397 FAWCPIZOPDSIKF-LJQANCHMSA-N 289.787 3.661 30 20 CHED O=C(CC#Cc1ccccc1)OC[C@H]1CCCCC1(F)F 1350030142 YBMPIQQEXALIQF-OAHLLOKOSA-N 292.325 3.797 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(C#N)cc1 1289574543 HMZNHNNDDXNUOH-QGZVFWFLSA-N 276.339 3.665 30 20 CHED N#Cc1ncccc1SCc1ccc(CF)cc1 1459072268 JXKBLHCXMBJZEG-UHFFFAOYSA-N 258.321 3.715 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccccc1N(C)C 1526752279 PVWFQIXQNXZUMK-AWEZNQCLSA-N 287.407 3.715 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)c1cc(C)oc1C 1602992333 RTVRIMRPYKJSHZ-UHFFFAOYSA-N 286.331 3.739 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)c1ccc(C)c(C#N)c1 1617138843 JWWRKUADWMHRSB-UHFFFAOYSA-N 290.366 3.632 30 20 CHED CCC[C@@H](Nc1ccc(Cl)c(C#N)n1)C1CCC1 1472803927 RGUVSKHYCNTLLK-GFCCVEGCSA-N 263.772 3.987 30 20 CHED Cc1c(C#N)cccc1NCc1ccncc1Cl 1474164102 KMTMAPYSRCBUSC-UHFFFAOYSA-N 257.724 3.527 30 20 CHED COc1cc(C#N)ccc1CN1C[C@H](C)Cc2ccccc21 1615458229 UBYBAVTWFPRRQN-CQSZACIVSA-N 292.382 3.766 30 20 CHED N#Cc1cc(C(=O)Nc2cc(-c3ccccc3)on2)cs1 1558935902 SFOGSEPWBBOVOK-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(CC2(CC#N)CC2)C1 1559573506 GPOIQMVSVUMVPM-CJNGLKHVSA-N 272.367 3.902 30 20 CHED C=CCCOCCNCc1cc(F)cc(C(F)(F)F)c1 120857884 OIEWSQYYINFSQE-UHFFFAOYSA-N 291.288 3.527 30 20 CHED COc1cccc(CN(CCC#N)CCC(C)C)c1C 1657466647 IUWNTYCPJQIGMO-UHFFFAOYSA-N 274.408 3.765 30 20 CHED C=CCC(C)(C)CNCc1cc(C(=O)O)ccc1Cl 1588736915 ZHVXUGZPTPWGIO-UHFFFAOYSA-N 281.783 3.730 30 20 CHED Cc1cc(C#N)nc(NCC2CCC(C(C)(C)C)CC2)n1 1655244552 DSYSCRBTIHFPTQ-UHFFFAOYSA-N 286.423 3.921 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 1672775835 RTQGXZKPPUUFMF-HPZZRFSDSA-N 297.402 3.813 30 20 CHED C=CCCC[C@H](NCc1cccc(C(C)(F)F)c1)C(=O)O 1776172398 QJYKUNXNTMNZRI-AWEZNQCLSA-N 297.345 3.697 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2ccccc2Cl)CC1 1776162247 OVCGXELHTGRUQW-UHFFFAOYSA-N 293.794 3.583 30 20 CHED CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H](C(=O)O)C1 1776786725 FSWPHEDHIJUBND-CABCVRRESA-N 297.439 3.696 30 20 CHED O=C(O)c1ccc(NN=Cc2cccc3ccoc23)cc1F 1776075265 XQLGZHCVKPUHTD-UHFFFAOYSA-N 298.273 3.716 30 20 CHED CCOc1ccc(/C=N/[C@H](C)c2ccccc2)c(O)c1 1497007 BGRXMSPKEZAVJP-RNEAKCBISA-N 269.344 3.971 30 20 CHED N#Cc1ccc(COc2cc(Cl)ccc2C#N)c(F)c1 161646728 PZLDJBHYOXHCFW-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C=CCN(C)C(=O)c1oc2ccc(Cl)cc2c1C 161823083 AMKYTMKMALRARI-UHFFFAOYSA-N 263.724 3.653 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C#N)c1 151029707 IBORBFRSAAWQBN-XIKOKIGWSA-N 280.346 3.720 30 20 CHED CC(C)Cc1ccc([C@H](NC(=O)CC#N)C(C)C)cc1 153533888 XHOFWVUOTOLITP-QGZVFWFLSA-N 272.392 3.612 30 20 CHED C=CCCCNc1cccc(Cl)c1OCCOC 157169253 DUDTZWNJRFJQEI-UHFFFAOYSA-N 269.772 3.743 30 20 CHED CCOc1cccc(NC(=O)Nc2cc(C#N)ccc2C)c1 155833922 OLAISPJOFBNLRI-UHFFFAOYSA-N 295.342 3.909 30 20 CHED C#CCCCCNC(=O)Cc1coc2cc(C)c(C)cc12 155839751 RJWCTNWGVFVYEJ-UHFFFAOYSA-N 283.371 3.512 30 20 CHED N#Cc1csc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)c1 157379929 FXHSVXPXARLULE-DOTOQJQBSA-N 298.411 3.630 30 20 CHED CCOc1ccc(OCc2ccc(C#N)cc2F)cc1 19804825 JJJHNBGBDBMMDM-UHFFFAOYSA-N 271.291 3.675 30 20 CHED N#Cc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 252454823 KFDPMVZEOVUXBM-YYESSZKYSA-N 252.361 3.795 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1cccc(OCC#N)c1 252426360 USIMEYMCLGQEPT-JKIFEVAISA-N 272.392 3.503 30 20 CHED CCCCC[C@@H](C)NCc1cccc(OCC#N)c1 37263007 XMZNWFRXXJWPIC-CQSZACIVSA-N 260.381 3.647 30 20 CHED CCN(Cc1cc(C#N)ccc1F)c1cccc(F)c1 44349961 FOORXXLDSZQLLP-UHFFFAOYSA-N 272.298 3.863 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1cccs1 192179900 GIQKMVFVXVCLSQ-JTQLQIEISA-N 260.337 3.610 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 506688559 HZLOAFALNMWDPU-LVQVYYBASA-N 276.424 3.601 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1nc2ccccc2n1C 312584938 VTXCSFDNNRDUKF-CYBMUJFWSA-N 271.408 3.826 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnccc1C 353459620 OIDFHKBMRNYOAO-UHFFFAOYSA-N 252.361 3.578 30 20 CHED CC1(C)CCCCN(Cc2ccc(F)cc2C#N)C1 446066894 MRLCXCDVONBTQS-UHFFFAOYSA-N 260.356 3.709 30 20 CHED Cc1ccsc1CN(C)Cc1ccc(C#N)c(F)c1 361692529 LNWNIEFJWWJXFX-UHFFFAOYSA-N 274.364 3.699 30 20 CHED Cc1cc(C#N)nc(Oc2cccc3sccc23)n1 705104092 ITRLYSDSHLPODA-UHFFFAOYSA-N 267.313 3.664 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1cc(F)cc(F)c1 695730159 MYTXLUKOYCOGAO-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(OC)c(OC)c1 395515316 RXKXPFVYYZUUOR-LBPRGKRZSA-N 263.381 3.567 30 20 CHED COc1cc(CN2CCC[C@@H]2CC(C)C)ccc1C#N 396869780 NLYDSWJLOSGXKG-MRXNPFEDSA-N 272.392 3.577 30 20 CHED C=CCOc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 55723150 PJSNQAMGRQCJEX-CYBMUJFWSA-N 257.333 3.546 30 20 CHED N#Cc1cc(F)ccc1COc1cccc2cccnc12 103135278 XZQULZVBNZOPBF-UHFFFAOYSA-N 278.286 3.825 30 20 CHED Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1F 10755201 CQEUHIXIHDBNEQ-UHFFFAOYSA-N 282.318 3.577 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc(OCC)c1 106421753 BOBKOMOHNIJJIX-UHFFFAOYSA-N 288.391 3.678 30 20 CHED CCCCCCCCC(=O)NC[C@H](O)c1ccc(F)cc1 105072341 NMGCDJYGWCLISK-INIZCTEOSA-N 295.398 3.726 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](C)c1ccc(F)cc1 57451211 BFOBSDGKPZNJOO-ZDUSSCGKSA-N 261.340 3.520 30 20 CHED C=CCCC(=O)Oc1ccc2ccc(OC)cc2c1 102221285 INOHAYLYXHOIEX-UHFFFAOYSA-N 256.301 3.720 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](C)c1ccc(F)cc1 57451212 BFOBSDGKPZNJOO-CYBMUJFWSA-N 261.340 3.520 30 20 CHED C=CCCCCCN(C)C(=O)Cc1cc(F)ccc1F 173696722 HHBRHMYNVZFWMF-UHFFFAOYSA-N 281.346 3.712 30 20 CHED Cc1cc2cc(/C=C/C(=O)c3cnn(C)c3)oc2cc1C 178549205 UAZLJEPPBQTJAP-SNAWJCMRSA-N 280.327 3.679 30 20 CHED Cc1c(F)cccc1NC(=O)N(CCC#N)CCC(C)C 177091433 CEHFERKMCWMDCG-UHFFFAOYSA-N 291.370 3.928 30 20 CHED N#Cc1ccc(COC(=O)C[C@@H]2CCc3ccccc32)cc1 115737078 DXCLBCVRBARMTC-KRWDZBQOSA-N 291.350 3.722 30 20 CHED C=CCS[C@H](C)C(=O)Nc1cccc(Cl)c1C 114756895 LEXMYKFJLCLZMS-SNVBAGLBSA-N 269.797 3.895 30 20 CHED COc1cc(F)ccc1N[C@H](C#N)C1CCCCC1 115606011 WXHMJBRVOPQDIT-CQSZACIVSA-N 262.328 3.719 30 20 CHED N#Cc1cccc(N[C@H]2CCC[C@@H]2Cc2ccccc2)n1 301385298 VMXMHBLVVAIBHE-WBVHZDCISA-N 277.371 3.777 30 20 CHED C=CCCCc1nc(-c2ccc(Br)o2)no1 178408654 YHVHZFZHOVTDPY-UHFFFAOYSA-N 283.125 3.601 30 20 CHED Cc1cc(C#N)ccc1CN1CCS[C@@H]2CCCC[C@H]21 249113650 CSXPQWWUVNVPDY-IAGOWNOFSA-N 286.444 3.727 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2Cc2ccccc2)c1 25358776 NDWNTQFKVRSCQQ-IBGZPJMESA-N 276.383 3.765 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCCCN1CC 303456874 GIKSPGRMUHFDHO-MRXNPFEDSA-N 282.472 3.728 30 20 CHED N#CCC(=O)Nc1ccccc1Nc1ccc(F)cc1F 119292579 AGPMKDVLWRNKNK-UHFFFAOYSA-N 287.269 3.561 30 20 CHED C=C[C@@H](CC(=O)N(C)C1CCCC1)c1ccccc1 179420139 AHUZNMJAKMISPB-AWEZNQCLSA-N 257.377 3.747 30 20 CHED C[C@@H](CN(C)c1cc(Cl)ccc1C#N)c1nccs1 302140860 JJILUIQRXMEUFK-JTQLQIEISA-N 291.807 3.908 30 20 CHED CC(C)COc1cccc(CNc2ccc(C#N)nc2)c1 301545974 WSGACXDWZJHWDB-UHFFFAOYSA-N 281.359 3.600 30 20 CHED C[C@H]1CN(c2ccc(Cl)c(C#N)n2)c2ccccc21 301520600 LCFQHEKGGCOUPV-JTQLQIEISA-N 269.735 3.862 30 20 CHED CCCCc1nc(CO/N=C/c2ccc(CC)cc2)no1 67097179 ZOXHVZIQEXKGIP-GZTJUZNOSA-N 287.363 3.525 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCN(c2cccs2)CC1 121341973 VDJSJVWTYBTWQE-CQSZACIVSA-N 297.427 3.503 30 20 CHED COCc1ccc(Sc2ccc(Cl)c(C#N)n2)cc1 301513728 FUQJDHJBLGQPQX-UHFFFAOYSA-N 290.775 3.904 30 20 CHED N#CCCCCNC(=O)Nc1ccc(Cl)cc1Cl 170902909 OGTYFVQMEGVBIB-UHFFFAOYSA-N 286.162 3.809 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccc(F)cc1F)C(C)C 181503796 APLGZEAMLCVPNZ-HNNXBMFYSA-N 296.361 3.879 30 20 CHED C=Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 185279189 XMIBSNXGDCTETN-DYVFJYSZSA-N 268.360 3.532 30 20 CHED CCCCCNc1nc(C(F)(F)F)ccc1C#N 78831874 RUPWENXAIVOLOT-UHFFFAOYSA-N 257.259 3.574 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc2occ(C)c2c1 185780867 LPHHFAFLTCSLCL-GFCCVEGCSA-N 273.332 3.661 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C#N)cc1 37284503 IHFGCHCUKCDRQJ-UONOGXRCSA-N 275.355 3.842 30 20 CHED CCCOc1cc(C)ccc1NCc1cc(C#N)n(C)c1 189588516 GVXGLYZMTUBNJD-UHFFFAOYSA-N 283.375 3.606 30 20 CHED C=C[C@H](CC(=O)NCc1ccc(OC)cc1)c1ccccc1 121977960 JFHHPDASWDSPHF-MRXNPFEDSA-N 295.382 3.671 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)c2cc(C#N)ccc2Cl)C1 505402944 LKEUSPZGCPJXTJ-YPMHNXCESA-N 290.794 3.862 30 20 CHED C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H](C)S1 70387420 BOLOHBBZPLOCNT-NXEZZACHSA-N 266.797 3.542 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(OC(F)F)c(F)c2)C1 185727754 ASLRFNQMLDYLTB-VHSXEESVSA-N 284.281 3.921 30 20 CHED C=C(CNC(=O)N[C@H]1CCC12CCCC2)c1ccccc1 502914009 UQLKZRUXGDYKEW-INIZCTEOSA-N 284.403 3.722 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)NCC1(C#N)CCC1 418136040 BVACIVIZFLKEMI-LBPRGKRZSA-N 262.784 3.554 30 20 CHED Cc1ccc2c(c1)CCN(CCCC(C)(C)C#N)C2 483984900 KRLCSVNGVCZZSZ-UHFFFAOYSA-N 256.393 3.683 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccccc1Cl 120206003 MLDUMRVVQIGZGH-NWDGAFQWSA-N 282.767 3.925 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)c2ccccc21 31784116 BHQXRBCWZXVEKI-CYBMUJFWSA-N 276.339 3.712 30 20 CHED N#Cc1cccc(C#N)c1NC1CCC(C(F)F)CC1 413434260 DJESYCZROHPGSR-UHFFFAOYSA-N 275.302 3.666 30 20 CHED C=CCCCCCCNCc1ccc(C(=O)O)cc1 261583968 HOVSCQFFWKWGEY-UHFFFAOYSA-N 261.365 3.611 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 185475605 IXIPJNMFLFBUQC-SFHVURJKSA-N 287.378 3.977 30 20 CHED C[C@@H](SCCCOc1cccc(C#N)c1)c1cnccn1 185572341 QMMDCNQTOOJALH-CYBMUJFWSA-N 299.399 3.612 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1ccc(F)cc1C#N 489576239 DEHCKIDNGGLPGT-UHFFFAOYSA-N 288.753 3.983 30 20 CHED CCCCN(CC(F)(F)F)C(=O)c1cccc(CC#N)c1 78887364 ICYUUGKPWVYLNB-UHFFFAOYSA-N 298.308 3.557 30 20 CHED CCCCCC(=O)N(CCC#N)c1ccc(OCC)cc1 72678928 YYRPURDYVYAXIX-UHFFFAOYSA-N 288.391 3.912 30 20 CHED C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 77497754 YNFCSTDWMDGVNZ-LBPRGKRZSA-N 297.333 3.623 30 20 CHED CC[C@@H](CC#N)NC(=O)C1(c2cccc(C)c2)CCCC1 183816182 RJZIJMXFVRYTAZ-INIZCTEOSA-N 284.403 3.615 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)cc1OCC 124608828 SVAQUBNCFNZQBI-UHFFFAOYSA-N 277.339 3.931 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3OC[C@@H]2C)CCCC1 410687533 KMPBLMYMAWHXRE-HNNXBMFYSA-N 299.414 3.933 30 20 CHED C[C@H](C#N)CNC(=O)N1CCC[C@@H]1CCC1CCCCC1 182757188 BQUXUYOEWBUEBO-GDBMZVCRSA-N 291.439 3.681 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(Br)ccc1F 157261347 GQWVKFGSCLEOMN-IUCAKERBSA-N 272.161 3.813 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1csc(C(C)(C)C)n1 188557099 RNYOXZUQHUJTAZ-MRXNPFEDSA-N 294.464 3.702 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(C)C 183328460 NRFYEHJJCASNOV-QWHCGFSZSA-N 288.391 3.966 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1ccc(F)c(C)c1 216831690 ZNCMJLSGJZRRSU-UHFFFAOYSA-N 299.301 3.624 30 20 CHED COCCCOc1ccccc1N[C@H]1CCC[C@@H](C#N)C1 185741776 IPCKXIUNRDITCV-CABCVRRESA-N 288.391 3.596 30 20 CHED C[C@@H](Sc1ncccc1C#N)c1ccc(F)cc1 78344183 SEQPBLOUXAACEY-SNVBAGLBSA-N 258.321 3.946 30 20 CHED COc1ccc(C#N)cc1CSc1cccs1 129276859 NBCBPMFNQGDZAG-UHFFFAOYSA-N 261.371 3.921 30 20 CHED N#Cc1ccnc(SC[C@@H]2CCCC(F)(F)C2)c1 509104314 VJDROVKNHVQMBL-LLVKDONJSA-N 268.332 3.871 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(COC)c1 182880193 KFAOBFMIHLNUDN-CYBMUJFWSA-N 276.380 3.699 30 20 CHED CC(C)(c1noc(-c2ccnc(C#N)c2)n1)C1CCCCC1 329656496 GHOCGCYOMYZLIW-UHFFFAOYSA-N 296.374 3.861 30 20 CHED N#CCCN(C/C=C\c1ccccc1)Cc1ccco1 505762681 OVSNTLSYUSFNEI-WTKPLQERSA-N 266.344 3.709 30 20 CHED CC1(CC(=O)N2CCc3cc(C#N)ccc32)CCCCC1 416010970 ICPVALSUSJHMMU-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 508497838 NROGDWOPWNHUDS-UONOGXRCSA-N 290.455 3.535 30 20 CHED C=CC1CCN(CCSc2ccccc2F)CC1 523605727 NWHKOHZQIZXCGX-UHFFFAOYSA-N 265.397 3.816 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nccs2)cc1 284996922 MWVPMZGPTMWZTD-HNNXBMFYSA-N 285.372 3.688 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 131795454 SXZBGMDOMITPRZ-HNNXBMFYSA-N 271.364 3.601 30 20 CHED C#CC[C@@H](OC(=O)c1ccc2nc(C)ccc2c1)C1CC1 132623761 XDFQSDUQUFMPRV-QGZVFWFLSA-N 279.339 3.502 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc[nH]1 614402896 OTEYVQVOQSQIHO-KRWDZBQOSA-N 265.360 3.532 30 20 CHED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(O)cc1 131060002 NHEFFZCVNOLZFG-JHMJBTLWSA-N 295.294 3.753 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)cc1C 136180314 FIKULKSGYONVNW-ZDUSSCGKSA-N 250.729 3.527 30 20 CHED Cc1cccc(Sc2ccc(C#N)cc2[N+](=O)[O-])c1 49389855 LJBMOMDCECMQCI-UHFFFAOYSA-N 270.313 3.926 30 20 CHED C=CCCCCCSCc1nc(C(F)F)no1 424120704 HQZRMHQETPGXLA-UHFFFAOYSA-N 262.325 3.987 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 511897600 UEFOEYZZNSKZCQ-BRWVUGGUSA-N 266.388 3.558 30 20 CHED N#Cc1cccc(OCc2cc(-c3ccccc3)on2)c1 45471876 QVRNQXADIDSXBG-UHFFFAOYSA-N 276.295 3.792 30 20 CHED C[C@H](O)C[C@@H](CNc1ccc(C#N)cc1)c1ccccc1 133596510 JLTHIWATGHXZPT-YOEHRIQHSA-N 280.371 3.525 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc3c(c2)CCO3)c1 48625186 XJBSAOCAIICEQQ-ALCCZGGFSA-N 264.324 3.826 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@H](C)C[C@H]1C 517209203 KHGRISRPXULEMZ-ZIAGYGMSSA-N 288.439 3.747 30 20 CHED CCc1ccc(-c2ccc(C(=O)N[C@H](C#N)C(C)C)o2)cc1 80165826 APQQJPFXSZEXLW-OAHLLOKOSA-N 296.370 3.787 30 20 CHED Cc1ccccc1CNCCSCc1ccccc1C#N 512055200 DKAAEPCVNBKGQW-UHFFFAOYSA-N 296.439 3.890 30 20 CHED C=CC[C@@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] 227277890 BDGULDNDOFLVEA-MRVPVSSYSA-N 285.141 3.734 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 514703778 MEBLHMIWRNUKNX-HBUWYVDXSA-N 284.403 3.784 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 334769823 GUEZNAMZKOHXBQ-UHFFFAOYSA-N 293.326 3.513 30 20 CHED N#Cc1ccc(OCCCO[C@@H]2CCCCO2)cc1Cl 190250693 MYMFDSUAOLCXIB-OAHLLOKOSA-N 295.766 3.524 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N2CCC3(CCC3)C2)c1C 330127769 NCTWDVVBDQUDEK-GFCCVEGCSA-N 290.411 3.584 30 20 CHED Cc1ccc([C@@H]2CCCN2[C@H]2CC[C@@H](C#N)C2)s1 338999962 LNNRAGJZMUOSMC-RDBSUJKOSA-N 260.406 3.886 30 20 CHED CC(C)c1nc(CSCc2cccc(F)c2C#N)no1 427859112 NDRXLWVMWOKMSZ-UHFFFAOYSA-N 291.351 3.637 30 20 CHED Cc1cc(C)cc(N/C(O)=N/C[C@H]2CCO[C@@H]2C(C)C)c1 330975263 LNQVBIODONHUAS-GDBMZVCRSA-N 290.407 3.690 30 20 CHED C=CCN(CCc1c(C)noc1C)Cc1ccccc1F 339654604 XXYYRSPNMMVSOI-UHFFFAOYSA-N 288.366 3.661 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCCc3occc32)CC1 336228858 HKEIHQNYRJTBRG-CXOJTPOUSA-N 258.365 3.719 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2Cl)cc1O 96766284 RAGGWRQGRIKVOR-VURMDHGXSA-N 288.730 3.950 30 20 CHED N#Cc1ccc(CN(C#N)c2ccccc2Cl)cc1 429787047 GUGFRKUBXHCAJN-UHFFFAOYSA-N 267.719 3.699 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)c1cccc(OC)c1 510479473 PMSUUWCLWUOARC-UHFFFAOYSA-N 294.354 3.542 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)cc1 335112855 KPYKCPKTSOHZNV-TZMCWYRMSA-N 288.366 3.955 30 20 CHED C#CCCOc1ccc(CNC[C@@H]2CC=CCC2)cc1 236684383 FNXBYQRJVMZDSL-MRXNPFEDSA-N 269.388 3.535 30 20 CHED Cc1nnc([C@@H](C)Sc2ccc(C#N)cc2F)s1 334809792 KINPKAYMOBAZOT-SSDOTTSWSA-N 279.365 3.711 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)Cc1cccc(Cl)c1 337762002 PQXWJFQKQMHTAS-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C[C@@H](CN(CCC#N)Cc1ccco1)c1ccc(F)cc1 437595482 YVMHWANJMDYWFR-AWEZNQCLSA-N 286.350 3.938 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 432096526 SQUVRPOSDUMRHI-CABCVRRESA-N 290.382 3.583 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)Oc1ccccc1F 523512215 PIAUPUUSFUJPFE-CQSZACIVSA-N 293.382 3.798 30 20 CHED Cc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1F 433125444 KEIBJJWPZNOFQL-HNNXBMFYSA-N 296.345 3.845 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C)c2ncccc2c1 435744119 DBLZZOOZMZTIEE-PKOBYXMFSA-N 296.414 3.614 30 20 CHED C=CCC[C@@H](NCCCCN1CCCC[C@@H]1C)C1CC1 245907034 CMBLAMXNRPRLOW-FUHWJXTLSA-N 278.484 3.975 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(F)c(C)c1 529439399 PBOOYQBYGZPNKX-GFCCVEGCSA-N 276.355 3.641 30 20 CHED Cc1ccn(-c2ccc(NCc3ccc(C#N)s3)cc2)n1 341227380 LQOKTKKGLJBHSG-UHFFFAOYSA-N 294.383 3.726 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCc2ccc(C)cc21 436308364 MUVZWBKLHOBPPA-JQHSSLGASA-N 271.404 3.553 30 20 CHED C=CCOc1ccc(C(=O)N(CC)[C@H](C)C(C)C)cc1 342282243 OKWDXJOENDVODZ-CQSZACIVSA-N 275.392 3.758 30 20 CHED C[C@H](SCc1nnc(C2CC2)o1)c1ccc(C#N)cc1 525212214 DZBIKGWUMKTNTI-JTQLQIEISA-N 285.372 3.813 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCSc1ccccc1 431871438 LSAKQXFSFOOORA-UHFFFAOYSA-N 296.395 3.988 30 20 CHED Oc1ccccc1/C=N\Cc1nc2ccccc2s1 255323618 GNIYWDSNDHNVIF-SXGWCWSVSA-N 268.341 3.621 30 20 CHED Cc1cc2cc(CNc3ccc(C#N)cc3)ccc2[nH]1 343807568 LNJXOIUIFNYHFS-UHFFFAOYSA-N 261.328 3.960 30 20 CHED Cc1ccnc(N[C@H]2CCCOc3c(F)cccc32)c1C#N 343543780 WFGCHEMMIPDHRQ-HNNXBMFYSA-N 297.333 3.727 30 20 CHED COCc1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1 255669133 VRONQQLXKNTOLU-KTKRTIGZSA-N 297.310 3.637 30 20 CHED C=CC[C@H](C)N[C@@H]1CCc2cc(F)c(F)c(F)c21 449148382 KDYOKXCYSBKJGK-GZMMTYOYSA-N 255.283 3.645 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2c(F)cccc21 526042859 KRHIFAHTCBXOKZ-INIZCTEOSA-N 261.340 3.707 30 20 CHED Cc1ncc([C@H](C)NCc2ccc(C#N)cc2Cl)s1 602957324 RSZQOKMTOWDVFE-VIFPVBQESA-N 291.807 3.827 30 20 CHED Cc1nc(S[C@H](C#N)CCc2ccccc2)[nH]c1C 601082332 GLQFNSZKTPUOME-AWEZNQCLSA-N 271.389 3.644 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC12CCCC2 533045457 KGJPWGDPZHLPOB-WMZOPIPTSA-N 296.414 3.598 30 20 CHED C=CCCC1(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 354413612 HVMAARMNQKHNFU-UHFFFAOYSA-N 281.359 3.762 30 20 CHED CCc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)c(C)n1 354477037 MMJAAEOLWJVZCB-UHFFFAOYSA-N 299.399 3.755 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H]2c2ccccc2)o1 266203597 MBUSWQZGLVUUBM-IRXDYDNUSA-N 266.344 3.577 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(C)C)cn2)n1 354043348 ZKNGDBSNXFRDCC-UHFFFAOYSA-N 257.337 3.764 30 20 CHED C=CCC1(C(=O)N[C@H](C)CC(=O)c2ccccc2)CCC1 357785107 FWASMUQYFCWVKR-CQSZACIVSA-N 285.387 3.511 30 20 CHED C=CCCC1(C(=O)N2CCC(C)(C3CC3)CC2)CC1 359471645 BXVMWHPDFWUQKL-UHFFFAOYSA-N 261.409 3.772 30 20 CHED Cc1ccc(C#N)c(NCCc2ccc(OC(C)C)cc2)n1 536576354 CXKXJPAZMGHZGP-UHFFFAOYSA-N 295.386 3.704 30 20 CHED C=CCC1(C(=O)NCc2cccc(F)c2)CCCC1 449433066 KOMMKGRGXUZVMT-UHFFFAOYSA-N 261.340 3.578 30 20 CHED C=CC1CCN(Cc2c[nH]nc2-c2ccc(C)cc2)CC1 539828239 BSNXFZPHPXNAEI-UHFFFAOYSA-N 281.403 3.783 30 20 CHED C=C(C)[C@H](CC(=O)NCc1ccc(C(C)C)cc1)OCC 535895772 NXVQPNAJTZJVKJ-KRWDZBQOSA-N 289.419 3.798 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 448563046 AFHQAGUAWSWWNS-SJORKVTESA-N 269.388 3.771 30 20 CHED COc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1Cl 444723443 LAVKMERXXWSGTN-OAHLLOKOSA-N 292.810 3.863 30 20 CHED Cc1cccc2nc(COc3cc(Cl)cc(C#N)c3)cn12 352175379 UWJAHDKKKKDQGC-UHFFFAOYSA-N 297.745 3.747 30 20 CHED Cc1cc(NC(=O)N[C@H](C)c2cccc(C#N)c2)ccc1F 610323647 GDBLWAFMPCKNHJ-GFCCVEGCSA-N 297.333 3.889 30 20 CHED CCCC[C@H](CC)CC(=O)Nc1cc(CC#N)ccn1 532435589 WYWQCVZZWYWBES-ZDUSSCGKSA-N 273.380 3.693 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCCOC2CCCC2)n1 613414516 AQARCHSJGKVHMN-UHFFFAOYSA-N 287.407 3.622 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C)c2ncccc12)OCC 535905857 MUXMIHZPUDZVPS-MRXNPFEDSA-N 298.386 3.853 30 20 CHED C=C(CC)CSCC(=O)N(C)CC1CCCCC1 539094821 QEUHFVMOPCRINV-UHFFFAOYSA-N 269.454 3.725 30 20 CHED Cc1cc(CNc2cnccc2C#N)c2[nH]c(C)c(C)c2c1 354561624 NJNRCGLVEGPPKP-UHFFFAOYSA-N 290.370 3.972 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Br)c(C)cc1C 449888565 NVQAJRNCJGZWOB-NSHDSACASA-N 296.208 3.760 30 20 CHED C=CCC[C@@H](NC1CCC(O)CC1)c1ccccc1 269465065 YUSAQTLWUNANOY-OFLPRAFFSA-N 259.393 3.587 30 20 CHED CC(C)[C@H]1N(C(=O)c2cccc(C#N)c2)CC12CCCC2 457163502 KHRIJLXTXMYCIP-MRXNPFEDSA-N 282.387 3.599 30 20 CHED C[C@H](C(=O)NCC(C)(C)CC#N)c1cc2ccccc2o1 457998345 XDEAUVWEHBUOIY-LBPRGKRZSA-N 284.359 3.592 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccc(C)c(C)c1 539441540 YGXPTRAXFNTLIE-OAHLLOKOSA-N 259.393 3.707 30 20 CHED Cc1nc(C(=O)Nc2ccc(C#N)c(Cl)c2)sc1C 618626078 PNJABHNQGJXGRH-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CCCC1(C(=O)N[C@H](C)c2cccc(C#N)c2)CCC1 610726193 IJHHIEPACWMBPS-CYBMUJFWSA-N 270.376 3.706 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(C(F)(F)F)c1 453367804 RUVJKNXWRHBGGJ-HONMWMINSA-N 285.309 3.700 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccccc1)C(C)C 276057133 ICQSJQPKGBEKIB-HNNXBMFYSA-N 260.381 3.601 30 20 CHED C=C[C@@H](C)NC(=O)c1c(F)ccc(SCC2CC2)c1F 450099374 YTNJQDMRRMGGGH-SECBINFHSA-N 297.370 3.771 30 20 CHED CCc1cnccc1[C@H](C)NCc1cccc(C#N)c1F 361118940 DUKOTCXSFSWJJS-LBPRGKRZSA-N 283.350 3.506 30 20 CHED COC1CCC(N(C)Cc2ccc(Cl)cc2C#N)CC1 274751776 AZLFVSJBJPRNRE-UHFFFAOYSA-N 292.810 3.601 30 20 CHED CC(C)N(Cc1ccc(CC#N)cc1)Cc1ccccn1 544071559 GUJHTHCCRYWWGN-UHFFFAOYSA-N 279.387 3.558 30 20 CHED CC[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)C1 610677897 AIQQYAZDSATCOM-JTQLQIEISA-N 287.313 3.621 30 20 CHED C=C[C@H](C)NC(=O)c1occc1CSc1ccccc1 362598561 FKPHBPGISCWMNZ-LBPRGKRZSA-N 287.384 3.876 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@H]1CSc2ccccc21 454913742 OGWLAEZFQOAVSK-STQMWFEESA-N 290.432 3.530 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc2c(c1)C(=O)CCC2 454919100 FWVNNWNGMXBBIV-UHFFFAOYSA-N 286.375 3.539 30 20 CHED CCC[C@H](NC(=O)CCc1ccc(C#N)cc1)C1CCCC1 458331441 FBCYVQPUKWBHSP-SFHVURJKSA-N 298.430 3.966 30 20 CHED N#CCC[C@H](NC(=O)CC1CC(F)(F)C1)c1ccccc1 450189654 AGJXUBXOFUUAJI-AWEZNQCLSA-N 292.329 3.583 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1ccc(C)cc1 361085345 DZMHFKCNHNRIBH-QGZVFWFLSA-N 269.388 3.852 30 20 CHED CC(C)(CC#N)CNC(=O)NC1(c2ccccc2)CCCC1 458409582 XWKJGEOCGLFBJL-UHFFFAOYSA-N 299.418 3.695 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cccc(CC#N)c1 455908583 ADHHUHGOWXZHDM-OLZOCXBDSA-N 273.380 3.699 30 20 CHED C[C@H]1Cc2c(ncn2Cc2ccc(Cl)cc2C#N)C[C@H]1C 451002712 RTJZQTLTFHUVPX-NEPJUHHUSA-N 299.805 3.827 30 20 CHED N#CCCCN[C@H]1CCCc2ccc(Br)cc21 273311634 WUJTZRDWHVJDHW-AWEZNQCLSA-N 293.208 3.720 30 20 CHED C=CC(C)(C)CNC(=O)CCSc1ccccc1F 452776385 KNCAJJBGPMIZKD-UHFFFAOYSA-N 281.396 3.636 30 20 CHED Cc1ccc2ccccc2c1C[S@@](=O)CCCC#N 276745336 WVZALYJSQFXLSM-IBGZPJMESA-N 271.385 3.701 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H](CCC)OCC)c1ccccc1 628344579 DMMBXYLXQAVAIV-DOTOQJQBSA-N 289.419 3.668 30 20 CHED COc1ccc(F)cc1[C@H](C)NCc1ccc(CC#N)cc1 542252767 HNEGGHGZRWMVEK-ZDUSSCGKSA-N 298.361 3.751 30 20 CHED C=C(C)C[C@@H](C)c1nc(-c2cccnc2N2CCCC2)no1 288830319 BOEAFDZVOLSMJQ-CYBMUJFWSA-N 298.390 3.802 30 20 CHED CCC1(CNC2CCN(c3ccc(C#N)cc3)CC2)CCC1 552057859 KUKIBMARQVGOKV-UHFFFAOYSA-N 297.446 3.697 30 20 CHED C=CCC[C@H](CCC)NCCc1ccc([N+](=O)[O-])cc1 462118308 FCWDNPXMPPSEEE-HNNXBMFYSA-N 276.380 3.862 30 20 CHED C=CCN(C(=O)c1nc(C(C)C)oc1C)c1ccccc1 288427967 HTAPOUGJINQCGZ-UHFFFAOYSA-N 284.359 3.939 30 20 CHED C[C@H](Cc1ccccc1F)NC1(c2cccc(C#N)c2)CC1 551813964 ZBTDCXRZBPCBNC-CQSZACIVSA-N 294.373 3.907 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C 467093842 SUOJMMDIBYIMNN-PBHICJAKSA-N 286.419 3.918 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H](CCC)C1 466366926 NIRWWNWVEPFNSJ-UONOGXRCSA-N 252.402 3.563 30 20 CHED Cc1c(Cl)cc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1Cl 460066973 MIUGBLOFFNZBTJ-UHLUBPPHSA-N 283.158 3.790 30 20 CHED Cc1nn(C(C)C)cc1CNc1ccccc1O[C@@H](C)C#N 281327129 KZTXIPMLGKMGMK-ZDUSSCGKSA-N 298.390 3.675 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@](C)(C#N)CC 285621037 YATYPHSIXAMXNT-GDBMZVCRSA-N 292.810 3.717 30 20 CHED C=C[C@@H](CO)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 289680150 HQOAGRVWECXRTE-PBHICJAKSA-N 297.398 3.560 30 20 CHED N#CC1(CCCOc2cccc3ncccc23)CCOCC1 281384431 PKUJCCUEADQLGD-UHFFFAOYSA-N 296.370 3.714 30 20 CHED C=C[C@@](C)(CC)c1nc([C@H]2CCCCS2)no1 289804979 RJLNOHFCPMTOPR-MFKMUULPSA-N 252.383 3.882 30 20 CHED C[C@H](Nc1ccnc(C#N)c1)c1nc(C(F)(F)F)cs1 287957078 YVLCXPDMDAHOLL-ZETCQYMHSA-N 298.293 3.602 30 20 CHED C=CCC(C)(C)CN[C@H](C)CC(=O)Nc1ccc(F)cc1 550857487 UQIOHPNFKLBSFS-CYBMUJFWSA-N 292.398 3.735 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N1CCc2ccc(C#N)cc21 550154175 QLNKJVVHVDMDGA-CJNGLKHVSA-N 282.387 3.664 30 20 CHED COc1ccc([C@H](C)OC(=O)[C@@]2(C#N)CC23CCCC3)cc1 298009363 SIHSCVLUFURGAZ-UGSOOPFHSA-N 299.370 3.773 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1CCC=CCC1 635781283 ZLEIAYAQSAPIHG-UHFFFAOYSA-N 273.376 3.583 30 20 CHED CCN(c1ccc(NC(=O)CCCC#N)cc1)C(C)C 290934169 JOPLWGBWQJSYNL-UHFFFAOYSA-N 273.380 3.554 30 20 CHED Cc1oc(C#N)cc1C(=O)N1c2ccccc2CCC1(C)C 297646655 DBROUDZXALBREV-UHFFFAOYSA-N 294.354 3.831 30 20 CHED N#CCSCCCOC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 805570649 QKUKZLAKHGSGMC-RRFJBIMHSA-N 295.448 3.783 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC(F)F)cc1F 801074778 CFEPIGKEDLKGGA-UHFFFAOYSA-N 299.292 3.949 30 20 CHED C#C[C@H](NCc1cnc(C2CCCC2)s1)C(C)C 809685247 JINORBDJGBWYKF-AWEZNQCLSA-N 262.422 3.548 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 474271659 QUZPDYFCILFWPG-QWHCGFSZSA-N 287.407 3.611 30 20 CHED C#C[C@@H](NCc1cc2cc(OC)ccc2o1)C(C)(C)C 809782476 VOMSLIXFEREQDU-MRXNPFEDSA-N 271.360 3.579 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc(Cl)cc2F)CC12CCCC2 294197523 BKHJOGJOHFCTCV-OAHLLOKOSA-N 292.741 3.892 30 20 CHED C#C[C@@H](NC1CC(OC(C)C)C1)c1ccc(Cl)cc1F 809699942 URCAFHDSJJSOIG-SEEARECTSA-N 295.785 3.699 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cnc(C)s1 807991057 QZXSJUGHNKPOFW-UHFFFAOYSA-N 290.348 3.504 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(Cc3ccc(F)cc3)CC2)C1 293196108 UCQQPYQDITUICG-AEFFLSMTSA-N 286.394 3.772 30 20 CHED C=CCN(CCC#N)C(=O)c1cc(CCC)c(C)s1 292279847 HOCFSSBTZZNWKU-UHFFFAOYSA-N 276.405 3.551 30 20 CHED C[C@H]1CC[C@H](C=NNc2ccc(Cl)c(C(=O)O)c2)C1 800805129 JOBKMPYEGRPYCV-UWVGGRQHSA-N 280.755 3.872 30 20 CHED N#Cc1ccc(N2CCC(CC(F)(F)F)CC2)c(F)c1 561351878 XWWIPAYGNFVOLN-UHFFFAOYSA-N 286.272 3.866 30 20 CHED Fc1ccc(/C=C\C=NNCC2CCCC2)c(F)c1 808007327 ZRTSSGZNFBRHCX-KORZOIHTSA-N 264.319 3.744 30 20 CHED C=CCCc1noc([C@@H]2C[C@H]2c2cccc(F)c2F)n1 297273577 KXIPHJGTTHONGX-WDEREUQCSA-N 276.286 3.738 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)c1ccccc1F 801658306 ZKLMXBMQMGJEKU-WDEREUQCSA-N 253.342 3.549 30 20 CHED C(=NNCC1CCCC1)c1ccc(N2CCCCC2)s1 808007321 ZODBBINGXTXTDN-UHFFFAOYSA-N 291.464 3.852 30 20 CHED C(=NN[C@H]1CCSC1)c1ccccc1-c1ccccc1 807999542 PRWQBRWLKMGUKS-INIZCTEOSA-N 282.412 3.783 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(C(C)=O)cc1F 298748488 PRZPIPHOPPLQHX-UHFFFAOYSA-N 264.296 3.536 30 20 CHED CC1(C)CC[C@H](CNC[C@@H](C#N)CCC#N)c2ccccc21 560597562 IHUUNSMGOSPIHK-HZPDHXFCSA-N 295.430 3.875 30 20 CHED C[C@@H]1CCC[C@@H](C)N(c2nc(Cl)c(C#N)s2)C1 804502991 DDJLUZQOJXRXCJ-RKDXNWHRSA-N 269.801 3.683 30 20 CHED O=C(/C=C/c1cnccn1)c1ccc(SC(F)F)cc1 809154014 LGKKNBXBDKQGSU-ZZXKWVIFSA-N 292.310 3.687 30 20 CHED C[C@H](C#N)OCCNC1(c2ccc(Cl)c(Cl)c2)CC1 801931321 XOEHQHPIBUBEHL-SNVBAGLBSA-N 299.201 3.501 30 20 CHED CCCC[C@@H](CCC)CNCc1cc(C#N)n(C)c1 480395028 PUPDNFFYOSSGEE-CQSZACIVSA-N 261.413 3.593 30 20 CHED CC[C@H]1CCN(c2c(C#N)cnc3ccc(C)cc23)C1 488125291 LNHNPZJCSGNUDN-ZDUSSCGKSA-N 265.360 3.651 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 644963855 DBPWFHMOJJOLND-QWRGUYRKSA-N 277.330 3.778 30 20 CHED C=CCN1CCC(N[C@H](CCC)C2CCCCC2)CC1 482647170 ABANHPKYWKJJQF-GOSISDBHSA-N 278.484 3.975 30 20 CHED Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1C#N 488162108 MQSMZBJQJVLUOB-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cc(Cl)cc(C)c1O 810416383 VMIDJPOLJJLBRK-UHFFFAOYSA-N 299.757 3.517 30 20 CHED C=CCCCCCCCNC(=O)c1sccc1C#N 810766411 LCAZOUBVBPKMRW-UHFFFAOYSA-N 276.405 3.876 30 20 CHED Cc1nc(N2C[C@@H](c3ccccc3)C[C@@H]2C)ccc1C#N 488072028 UCISZJYGLJOPBT-GUYCJALGSA-N 277.371 3.644 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1cccc(O)c1Cl 814916531 BLIOZPKZEPPQLT-CYBMUJFWSA-N 280.799 3.938 30 20 CHED N#C[C@@H](C(=O)CC1CCCC1)c1cc(C(F)(F)F)ccn1 813221188 OPPSPLWYYURURA-GFCCVEGCSA-N 296.292 3.857 30 20 CHED C=CCC1(C(=O)N2CCC3(CC2)CC3(F)F)CCCC1 650609715 YSINRHKDIUWROZ-UHFFFAOYSA-N 283.362 3.771 30 20 CHED C=C1CCN(C[C@H](O)c2cccc3ccccc23)CC1 815042225 OBFPQGWGPUJWFB-SFHVURJKSA-N 267.372 3.525 30 20 CHED C=CCCCCC[C@H](C)Nc1cccc2c1OCC(=O)N2 810244737 YFZSNCULMFYEMX-ZDUSSCGKSA-N 288.391 3.954 30 20 CHED C=CCCOCCNc1ccnc2c(Cl)cccc12 576895400 RFCZFIYUQAJEOC-UHFFFAOYSA-N 276.767 3.893 30 20 CHED C=CCOc1ccccc1C(=O)OCc1occc1C 816103517 CECKJPZKDOMZGF-UHFFFAOYSA-N 272.300 3.510 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](CC)c1ccc(OC)cc1 489883807 LANDNTJNOCUBMQ-MRXNPFEDSA-N 289.419 3.907 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1SCCc2ccccc21 488869538 RADKYMJRNCOKJZ-ZBFHGGJFSA-N 287.428 3.584 30 20 CHED CC(=NNCC(F)F)c1sc(-c2ccccc2)nc1C 814854448 JXQXXVDEBGSAPG-UHFFFAOYSA-N 295.358 3.697 30 20 CHED C#CCCOc1ccc(CNc2cc3c(cn2)CCC3)cc1 815159039 GMUDJKPBXPAPQB-UHFFFAOYSA-N 292.382 3.585 30 20 CHED N#Cc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1F 578946687 NZCPZAJXKFKMID-UHFFFAOYSA-N 298.248 3.835 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cccc(F)c1C#N)C2=O 811690223 XNGLGUDFODUXCW-RIYZIHGNSA-N 277.298 3.828 30 20 CHED C=CCOCC(=O)N[C@H](CCCCC)c1ccccc1 729374732 XANWAOWKGSFIMR-MRXNPFEDSA-N 275.392 3.627 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CCCCC12CCCC2 812259539 BZGBPFGPSUHSOA-CYBMUJFWSA-N 266.454 3.530 30 20 CHED Cc1cc(CN(C)[C@@H](C)c2cccc(O)c2)ccc1C#N 488233388 QNCQGCGLHARJRO-AWEZNQCLSA-N 280.371 3.765 30 20 CHED C=CCCc1ccccc1NCc1cn(CCC=C)nn1 656119075 SYUQSGFOJUZGKT-UHFFFAOYSA-N 282.391 3.585 30 20 CHED CN(C(=O)/C=C\c1cccc(F)c1)c1ccc(C#N)cc1F 729654361 SVONKWWWMVRQJZ-VURMDHGXSA-N 298.292 3.513 30 20 CHED Cc1ccc(NC(=S)N(CCC#N)CC(C)(C)C)cc1 729645891 KEZJNNVLOHLWBS-UHFFFAOYSA-N 289.448 3.954 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnn(CCC)c1C1CC1 821114964 BYYJFAVFZSUILQ-GFCCVEGCSA-N 275.396 3.711 30 20 CHED C=C[C@H](CC)CC(=O)N1CC(C)(C)[C@H]1c1cccnc1 820224551 UDIJTQSQJZVBHX-CZUORRHYSA-N 272.392 3.593 30 20 CHED CC(C)(C)CCOC(=O)c1cc2ccccc2n1CC#N 729768314 FEPYPFLKMHKQRT-UHFFFAOYSA-N 284.359 3.758 30 20 CHED C=CCN(C(=O)Cc1cccc(OC/C=C/C)c1)C(C)C 823097173 RPBSBQFPWSUOPW-FNORWQNLSA-N 287.403 3.607 30 20 CHED C=CCC1(C(=O)Nc2cccc(OC)c2F)CCCC1 829577841 QXSNLKGZTXXYIJ-UHFFFAOYSA-N 277.339 3.909 30 20 CHED N#CCc1cc(-c2ccc(O[C@H]3CCOC3)cc2)cs1 904755087 SCOOMKRXHQDPFW-HNNXBMFYSA-N 285.368 3.649 30 20 CHED CCOc1ccc(N(C)Cc2cccc(C#N)c2)cc1 739923542 HUFPVUXPOZBDPV-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C[C@H](OC(=O)C1(C#N)CCC1)c1ccc(OC(F)F)cc1 737339513 PWHAGBIIDPTJAV-JTQLQIEISA-N 295.285 3.586 30 20 CHED C=CCNCc1cc(-c2cn(C)nc2C(C)C)ccc1F 904759183 JIBAYLNYDWWPNJ-UHFFFAOYSA-N 287.382 3.625 30 20 CHED C=CCCCCCN(C)Cn1nc(C)n(C2CC2)c1=S 739884452 HXLSDEPIGOLAMV-UHFFFAOYSA-N 294.468 3.693 30 20 CHED C=CC[C@H]1CCCN(CC(=O)Nc2ccc(C)cc2C)C1 661378654 JXBIJLHYYVYYLI-INIZCTEOSA-N 286.419 3.530 30 20 CHED CCCCCCCC(=O)NCc1ccc(C)c(C)n1 837876847 GEWDDGKKOMRFQE-UHFFFAOYSA-N 262.397 3.675 30 20 CHED C#CCO[C@H](C)c1nc([C@@H](c2ccc(C)cc2)C(C)C)no1 834737118 IAHIYEQAWOSVKX-GDBMZVCRSA-N 298.386 3.877 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](C)c1ccc(C)s1 836431746 JLQYLOHOHHENKH-NSHDSACASA-N 266.410 3.629 30 20 CHED C=CCCC(CC)=NNc1ccc(C(=O)OC)c(F)c1 835019590 DBSOZXJPMXKAKL-UHFFFAOYSA-N 278.327 3.756 30 20 CHED C=CCN(C(=O)Nc1cccc2ccc(C)nc12)C(C)C 734064141 ZXWUMEJESJSWHM-UHFFFAOYSA-N 283.375 3.972 30 20 CHED CCOC(=O)C(C)(C)ON=C1CC[C@@H](c2ccccc2)C1 835007042 IJQGOMLJLVBPGT-CQSZACIVSA-N 289.375 3.668 30 20 CHED Cc1cccc(-c2cccc(C(=O)N(C)C[C@@H](C)C#N)c2)c1 906380642 RJVQAYCRFCFZMF-HNNXBMFYSA-N 292.382 3.894 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1ccc2ccccc2c1O 588524136 XSQFAEIWZNOEPW-UITAMQMPSA-N 293.297 3.976 30 20 CHED N#CC1(CCCCOC(=O)c2nc(Cl)cs2)CCC1 909262834 HNTAHBVKDXHWLV-UHFFFAOYSA-N 298.795 3.817 30 20 CHED CC[C@H](C)C=NNc1cc(Cl)ccc1[N+](=O)[O-] 835009013 MRDZLQAEMFRONJ-QMMMGPOBSA-N 255.705 3.692 30 20 CHED CCc1c(C)sc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1C#N 581653047 GIAROKPNASCTAL-MDZLAQPJSA-N 288.416 3.865 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)CCCCCC#N 588633694 HAUOUMMSPUCJFV-LSDHHAIUSA-N 264.413 3.888 30 20 CHED Fc1cccc(NN=C2CCc3cc(F)ccc32)c1 734296039 MUDDZCFYVDUSFV-UHFFFAOYSA-N 258.271 3.727 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](C(C)(C)O)C2)CCCCC1 832448086 UVGKSFBOGBBFBN-HNNXBMFYSA-N 293.451 3.523 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1nc2ccccc2s1 837418343 GYRDFANBTGEMSR-NSHDSACASA-N 286.400 3.523 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2C(=O)C#CC(C)C)c1 830285883 PIDWWXAEQREXKO-KRWDZBQOSA-N 269.388 3.626 30 20 CHED CC(C)c1cc(C(=O)OCCCCC2(C#N)CCC2)n[nH]1 908916187 JLOAGHXEXMEATI-UHFFFAOYSA-N 289.379 3.554 30 20 CHED CC(C)CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730422567 YQSIVSGFTDMISZ-SNVBAGLBSA-N 276.336 3.658 30 20 CHED C#C[C@H](NC(=O)/C=C(\C)CC)c1ccc(Cl)cc1F 832374274 LKXQVZJMJYUFBF-PLWJUESGSA-N 279.742 3.626 30 20 CHED C=CCC1(c2nc(Cc3ccc(C)cc3)no2)CCC1 582810723 UVWBZDSSQWXMQE-UHFFFAOYSA-N 268.360 3.967 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccc(F)cc2C)cc1 589080662 IMOVUMMSEPRQSV-KRWDZBQOSA-N 296.345 3.691 30 20 CHED CCCC[C@@H]1CCCC1=NN[C@H](C)C(F)(F)F 835003546 ZFSWJEKYIXTKFW-NXEZZACHSA-N 250.308 3.873 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(N(C)C)cc1 916268252 TUXFSOOWUJHKEB-UHFFFAOYSA-N 271.339 3.728 30 20 CHED Cc1ccc(C)c(C=NNCc2ccc(F)c(F)c2)c1 915974551 ILGOBSAUYFNKQX-UHFFFAOYSA-N 274.314 3.705 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)OCCCC(C)(C)C#N 837930551 FHCOFNIZLYAAQK-SWLSCSKDSA-N 251.370 3.686 30 20 CHED CC#CCCCC(=O)OCCc1cccc2ncccc12 835659580 PIDRFVQUVXNHND-UHFFFAOYSA-N 281.355 3.514 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cccc2c1ccn2CC(C)C 594088475 QNIMILDKMZYXLH-AWEZNQCLSA-N 297.402 3.671 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@@H](C)C2CC2)no1 594528676 CHCJLYXAQVRGQP-RYUDHWBXSA-N 281.359 3.801 30 20 CHED C#CCCCNC(=O)c1ccc(-c2ccc(CC)cc2)o1 742788266 KPJRCSYHOMMVSC-UHFFFAOYSA-N 281.355 3.652 30 20 CHED CCc1ccsc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839048872 PFBZEZNHHSXNSV-PWSUYJOCSA-N 263.362 3.550 30 20 CHED CC[C@@H](CC#N)NCc1nc(-c2ccc(C(C)C)cc2)no1 594009553 CDNMFRXXURHZLE-HNNXBMFYSA-N 298.390 3.642 30 20 CHED COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)c(F)c1 593638508 JJSPDNGADNHTQG-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C[C@H]1CCN(c2nc(C#N)c(Cl)s2)CC1(C)C 596192847 WAQSZCPSTQXICJ-QMMMGPOBSA-N 269.801 3.541 30 20 CHED C=CCCC(CCC)=NNc1ccc(CC(=O)OC)cc1 844606187 SMAIZMFZDQQGNU-UHFFFAOYSA-N 288.391 3.936 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)cc1 915105800 FHAPPYKKMPLICV-DHZHZOJOSA-N 280.323 3.518 30 20 CHED O=C(C#Cc1ccccc1)NCc1ccc2ccccc2c1 747355757 ZIJGEZVLIZXTOZ-UHFFFAOYSA-N 285.346 3.508 30 20 CHED C=CCNC(=S)N1CC2(CCCC2)c2c(F)cccc21 749108521 ATFLUVKLJARSLE-UHFFFAOYSA-N 290.407 3.518 30 20 CHED C=CCCCC(=O)NC1(c2ccc(F)cc2)CCC1 748300132 NPFLACABOWGWBD-UHFFFAOYSA-N 261.340 3.677 30 20 CHED C=CCCSCCNC(=O)[C@H]1C[C@H]1c1sccc1C 597968870 OEIAQJONBAGUHB-OLZOCXBDSA-N 295.473 3.586 30 20 CHED C=C[C@](C)(CC)C(=O)OCCc1noc2ccccc12 848746098 OOBBLFJJZBFSMQ-MRXNPFEDSA-N 273.332 3.516 30 20 CHED CON=Cc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1 916606309 FWCCXKYQKNGIIA-CQSZACIVSA-N 290.407 3.612 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)cc1C#N 597275533 YOIUTZVMSIACRR-FVQHAEBGSA-N 293.370 3.585 30 20 CHED Cc1cccc2c1N(C(=O)CC1(C#N)CCCCC1)CC2 597340930 AIFOJLKOUPTYHZ-UHFFFAOYSA-N 282.387 3.748 30 20 CHED C[C@]1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCc2ccccc21 842818007 FYESXRQQNFBSHF-SIIHOXLZSA-N 283.371 3.516 30 20 CHED O=[N+]([O-])c1cccc(NN=C/C=C/c2ccc(F)cc2)c1 747742453 ACGKHNGIGXKBOD-KIEKWOGXSA-N 285.278 3.845 30 20 CHED C#Cc1cccc(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1 747968927 ACSKYXZKNVCAHZ-STQMWFEESA-N 270.376 3.614 30 20 CHED C=CCN(CC1CCCCC1)C(=S)NC1(C)CCC1 840727249 CCOXDLNOCOHHHL-UHFFFAOYSA-N 280.481 3.872 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 590709656 WLNJVURBZPBTTC-BEFAXECRSA-N 296.414 3.955 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H]2C[C@H]21 591941483 LYDICAOXLZJCCV-IINYFYTJSA-N 283.762 3.749 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)[C@@H]1C[C@H]1C 841622564 XNICAWKIEXVPMM-NXEZZACHSA-N 260.341 3.504 30 20 CHED CCS[C@@H](C)c1noc(CC2(C#N)CCCCC2)n1 596595914 ISJNEGFXUIBTBC-NSHDSACASA-N 279.409 3.900 30 20 CHED C[C@H](C(=O)N1CCCSC1=Nc1ccccc1)C1CC1 747872203 CIYSWGRFFYTQKJ-LBPRGKRZSA-N 288.416 3.686 30 20 CHED CCC(C)(C)C1CCC(CC(=O)N2CC(C#N)C2)CC1 590481812 REELNCVRIHEZQD-UHFFFAOYSA-N 276.424 3.601 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)O[C@H]1CCC[C@H](C#N)C1 842819747 YTDDPWQWXMINNH-XDQVBPFNSA-N 263.381 3.684 30 20 CHED CCCc1ccc(C(=O)Nc2nc(C)cc(C)c2C#N)cc1 598854372 QBQFHPISLJGZKS-UHFFFAOYSA-N 293.370 3.775 30 20 CHED Cc1c(C(=O)N2CC[C@@H]3C[C@@H]3C2)sc2ccc(C#N)cc12 598329555 KASMRSFDPBVBCA-CHWSQXEVSA-N 296.395 3.563 30 20 CHED CC(C)(C)N1CCCN(c2cccc(Cl)c2C#N)CC1 590687331 PDQRXKBYHKOWOY-UHFFFAOYSA-N 291.826 3.522 30 20 CHED C#C[C@H](C)OC(=O)Cc1coc2ccc3ccccc3c12 744182415 WVZHMOFNEJGDNX-LBPRGKRZSA-N 278.307 3.693 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(OCCCC)cc1C 844515060 MUNPXCFTALQVRA-CYBMUJFWSA-N 292.379 3.802 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1c(F)cc(F)cc1F 926489544 PXVPPLBDZRRHGG-VIFPVBQESA-N 270.298 3.522 30 20 CHED CC(C)[C@@H]1CCCC1=NNCCc1ccccc1F 747765590 DLDWBUQLXXKWGM-AWEZNQCLSA-N 262.372 3.770 30 20 CHED C=CCC[C@@H](C)OC(=O)c1cnccc1C(F)(F)F 847672370 QMHYKCIQIQKKQM-SECBINFHSA-N 273.254 3.612 30 20 CHED C=CCN(C)C(=O)CSc1ccc2c3c(cccc13)CC2 681674588 RFDLLWMDPLWZIG-UHFFFAOYSA-N 297.423 3.675 30 20 CHED CCCOc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1OC 858604478 KNVAIAHFVWSTQN-CHWSQXEVSA-N 274.364 3.588 30 20 CHED C=C1CCN(C(=O)Nc2cccc(COC(C)C)c2)CC1 929952755 HQSMGUQMIAZGEC-UHFFFAOYSA-N 288.391 3.796 30 20 CHED Fc1cc2nc(NN=C/C=C/c3ccco3)[nH]c2cc1F 920375172 HGWSPZQTGKOADX-WOPLEWHASA-N 288.257 3.545 30 20 CHED C#CCCCC(=O)OCc1ccc(Cl)c(Cl)c1 757812628 BEBBQMDXNHDIMC-UHFFFAOYSA-N 271.143 3.840 30 20 CHED CC(=NNc1ccccn1)c1cc(Cl)c(N)c(Cl)c1 754701914 YWUWIRXSWLMCER-UHFFFAOYSA-N 295.173 3.807 30 20 CHED CCC(CC)N(CCCOc1ccc(C#N)cc1)C1CC1 920409538 HVPPTRFMEPNUKA-UHFFFAOYSA-N 286.419 3.980 30 20 CHED Fc1ccc(C=NNC2CC2)cc1-c1cccs1 758128675 BYFXGIXTIKZXLB-UHFFFAOYSA-N 260.337 3.640 30 20 CHED CCOc1ccc(C=NN[C@H](C)c2ccccc2)cc1 920385644 FAGCJONRWGXIIM-CQSZACIVSA-N 268.360 3.770 30 20 CHED C=CCC1(NC[C@@H](O)c2ccc(F)cc2Cl)CCCC1 852588230 RQPVGNNLSDMVID-OAHLLOKOSA-N 297.801 3.991 30 20 CHED Cc1cc(F)c(C(=O)OCc2ccccc2C#N)cc1F 757880372 PHRDCGPBEKGYPX-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=CCCOCC(=O)OCc1cc2ccccc2s1 754791487 JQDWZUUWZZHXTN-UHFFFAOYSA-N 276.357 3.537 30 20 CHED CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3ccsc3)cc21 759121475 NXIPHTXWCVQZEO-UTCJRWHESA-N 297.379 3.874 30 20 CHED COc1ccc(NN=Cc2ccccc2OC(F)F)cc1 750925209 QUNBATSBFUFDHY-UHFFFAOYSA-N 292.285 3.743 30 20 CHED COCC(C)(C)C=NNc1ccccc1C(F)(F)F 754902072 VRWDCBZRZBQQOM-UHFFFAOYSA-N 274.286 3.776 30 20 CHED C#CCON=C(C)Cc1ccc(Cl)c(C(F)(F)F)c1 853347584 MTCKJUMEOVLNRJ-UHFFFAOYSA-N 289.684 3.927 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)c1cccc(C)c1)c1ccccc1 757599498 MWWOJCZSSJKRIU-QFBILLFUSA-N 291.394 3.979 30 20 CHED C#CC[C@@H](NC(=O)N(C)C1CCCCC1)c1ccccc1 757757668 UGRRGZIGVXGTCT-QGZVFWFLSA-N 284.403 3.725 30 20 CHED Cc1c(NN=CC2Cc3ccccc3C2)cccc1[N+](=O)[O-] 766446407 IAEYUYXFXMZNOM-UHFFFAOYSA-N 295.342 3.716 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2cccc(C)c2C)c1 766500450 AOFDTOCIOCXLMR-FPLPWBNLSA-N 284.311 3.579 30 20 CHED Cc1ccc2c(c1)C(=NNc1ncnc3ccsc13)CC2 764840366 HEJHWHQJOFKKGJ-UHFFFAOYSA-N 294.383 3.762 30 20 CHED N#CCc1ccc(CN2CCc3cc(Cl)ccc32)cc1 864027971 NPEZUMVVYQECND-UHFFFAOYSA-N 282.774 3.969 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1noc(C)n1 930261614 WYBIPQAAWDXEMF-LBPRGKRZSA-N 285.347 3.586 30 20 CHED COCCON=C1CCCc2c1sc1ccccc21 763179106 MACGHJRXBNPODM-UHFFFAOYSA-N 275.373 3.605 30 20 CHED Cc1cc(OC(=O)c2cc(Cl)ccc2F)ccc1C#N 765091899 ORWXOEDNOWUDLP-UHFFFAOYSA-N 289.693 3.878 30 20 CHED CC(C)C(NCc1ccc(O[C@@H](C)C#N)cc1)C(C)C 769928169 NCOIXSHXLIJJLN-AWEZNQCLSA-N 274.408 3.748 30 20 CHED C=CCC(=NNCc1ccc(C#N)cc1)c1ccc(F)cc1 769821381 REFPJHJSKWMBPZ-UHFFFAOYSA-N 293.345 3.767 30 20 CHED CC(C)CN(CCC#N)Cc1cc2c(cc1O)CCCC2 768442668 MVUWBVUDKQTRGJ-UHFFFAOYSA-N 286.419 3.643 30 20 CHED CC#CCCOC(=O)c1cc(-c2ccccn2)ccc1Cl 760275625 POWSJGHXCQIAOU-UHFFFAOYSA-N 299.757 3.972 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(C#N)s1 762444562 ZBHUWTYRPDSRGQ-UHFFFAOYSA-N 255.346 3.764 30 20 CHED CC(C)(CNC(=O)CC#Cc1ccccc1)c1ccccc1 1118785452 ILQIXBSJZOQXQL-UHFFFAOYSA-N 291.394 3.522 30 20 CHED N#C[C@H](OC(=O)CSc1ccccc1)C1CCCCC1 776363673 GCJVEFYSZXKOEW-HNNXBMFYSA-N 289.400 3.794 30 20 CHED O=C(/C=C\c1cccc(Br)n1)c1cccs1 777912345 VMUJRGXHZPNYHR-SREVYHEPSA-N 294.173 3.802 30 20 CHED COC[C@@H](C)NN=C1CCCSc2ccc(Cl)cc21 777893192 MYNXCKHDVNPRTL-SNVBAGLBSA-N 298.839 3.555 30 20 CHED O=C1/C(=C\c2cccc3nccn23)CCc2ccc(F)cc21 776192376 JGPNHZILAFMDEX-RAXLEYEMSA-N 292.313 3.686 30 20 CHED Cc1ccc(OC(=O)c2cccc(F)c2C#N)cc1C 777407191 CMWGZXIGEFFMOM-UHFFFAOYSA-N 269.275 3.533 30 20 CHED Cc1ccccc1COC(=O)/C=C\c1ccccc1C#N 775074074 LLTVBEOZYJMHCS-KHPPLWFESA-N 277.323 3.623 30 20 CHED C[C@H](CCC#N)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl 876552168 LQMVNYUTFLJPTP-LLVKDONJSA-N 295.770 3.620 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2[nH]c(CC)cc(=O)c2c1 879399552 NJTHMDYTCWHLQS-UHFFFAOYSA-N 298.386 3.631 30 20 CHED C[C@@H](Nc1ccnc(C#N)c1)c1ccc(Cl)s1 61811968 XTMKJTLZHGZZAZ-MRVPVSSYSA-N 263.753 3.841 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cc(F)c(O)c(F)c1 776190333 RRYMIHGMDVPYHU-ONEGZZNKSA-N 289.281 3.524 30 20 CHED C=C(CC)COC(=O)CCc1c[nH]c2c(C)cccc12 773521273 GCADOCCAHODVJZ-UHFFFAOYSA-N 271.360 3.918 30 20 CHED CCCCCOc1ccc(C(=O)/C=C\c2ccn(C)n2)cc1 773154946 OQGGBSDQBGSVPD-FLIBITNWSA-N 298.386 3.885 30 20 CHED N#Cc1c(F)cccc1C(=O)O[C@@H]1CCc2ccccc21 778615512 VQJCRACCZYAGSR-MRXNPFEDSA-N 281.286 3.542 30 20 CHED CC1=C(C)C[C@H](C(=O)O[C@H](CC#N)c2ccco2)CC1 1123368067 DBQTXWLSPMWIQE-UKRRQHHQSA-N 273.332 3.914 30 20 CHED N#Cc1ccc(C2CCN(C(=O)C=C3CCCC3)CC2)cc1 887704780 UJDWBEJSFJMLGE-UHFFFAOYSA-N 294.398 3.765 30 20 CHED C[C@H]1CC[C@H](OC(=O)c2cc3ccccc3n2CC#N)C1 779265685 SEUZHXNFDDEGDT-JSGCOSHPSA-N 282.343 3.510 30 20 CHED C#CCOc1ccccc1NC(=O)CCCc1ccsc1 775948119 ISTLMTUTWBDAKY-UHFFFAOYSA-N 299.395 3.722 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1cccc(C)c1Cl 774658005 NZDXADYJGITJGC-NSHDSACASA-N 268.740 3.535 30 20 CHED N#Cc1ccc(C2CCN(C(=O)c3ccccc3)CC2)cc1 887707748 ZXPSTTLZKVDBMM-UHFFFAOYSA-N 290.366 3.578 30 20 CHED COc1ccc(CSCCCSCC#N)c(OC)c1 882309530 ZBJBYPLLRVLOIS-UHFFFAOYSA-N 297.445 3.584 30 20 CHED CC(C)c1cccc(CNC(=O)c2ccc(C#N)cc2F)c1 1128114949 RDOVOLFGZUQYTE-UHFFFAOYSA-N 296.345 3.751 30 20 CHED C#CC[C@H](NCc1c(F)cccc1F)c1ccccc1 780314329 XSWYPEAICXATPS-KRWDZBQOSA-N 271.310 3.819 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccnc2)c(Cl)c1 788359650 QJLLMBPOYCYRCP-GQCTYLIASA-N 268.703 3.503 30 20 CHED CC1(C)CCC1=NNc1ncccc1C(F)(F)F 788992253 UBTGVLURBLXKQM-UHFFFAOYSA-N 257.259 3.688 30 20 CHED COC(=O)c1cccc(NN=C2CCC23CCCC3)c1 788725596 JYQNRXALVYVSRE-UHFFFAOYSA-N 272.348 3.595 30 20 CHED N#Cc1ccc(COC(=O)c2cccc(F)c2)c(Cl)c1 784189238 YTPUSBLSRKPQMA-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1ccc(F)c(C(=O)OCCCC(C)(C)C#N)c1F 784469751 YGAJRZQPSKLNEX-UHFFFAOYSA-N 281.302 3.760 30 20 CHED COc1ccc(CCNN=C2CC[C@@H](C)C[C@@H]2C)cc1 783845131 GUOLLITUNWZWED-KGLIPLIRSA-N 274.408 3.639 30 20 CHED C=CCCCN[C@H](C)c1ccccc1OC(F)F 385458589 UAMNHAWBGFBDFD-LLVKDONJSA-N 255.308 3.905 30 20 CHED CCCc1nc(CN2CCCC(C)(C)[C@@H]2C#N)cs1 277706217 IBFVWXNFLSIPPK-ZDUSSCGKSA-N 277.437 3.610 30 20 CHED COc1ccc2cc(C(C)=NOCCSC)ccc2c1 794577288 UAIQYSLHTZURFL-UHFFFAOYSA-N 289.400 3.952 30 20 CHED C[C@@H](Nc1c(C#N)nnc2ccccc12)c1cccs1 85919972 QQYCFQLAEHIJNP-SNVBAGLBSA-N 280.356 3.736 30 20 CHED C[C@@H](NCCCCC#N)c1sccc1Br 167258068 BZVVSJUAAJPCNF-SECBINFHSA-N 287.226 3.855 30 20 CHED C=C1CC(c2noc(COc3ccc(C)c(C)c3)n2)C1 896891529 WMTKOKAIPPLWGT-UHFFFAOYSA-N 270.332 3.699 30 20 CHED N#Cc1ccc(F)c(NC(=O)C2CCCCCC2)c1 891451835 PYQAQRAJJYAOKG-UHFFFAOYSA-N 260.312 3.606 30 20 CHED N#CCc1ccc(NC[C@H]2C[C@@H]2c2ccccc2)cc1 546781317 PRZVIBLHVSLYAC-SJLPKXTDSA-N 262.356 3.968 30 20 CHED CSCCCCCNc1nc(C)cc(C)c1C#N 186360946 VGPMUPXIWVBHMY-UHFFFAOYSA-N 263.410 3.515 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(C)ccc2O)c1F 799891324 CNWGFAXMBQHGHZ-CLFYSBASSA-N 286.302 3.744 30 20 CHED C#C[C@H](NC(=O)c1cc2ccccc2s1)C(C)(C)C 702236707 RPVNJDTZUIBDRQ-AWEZNQCLSA-N 271.385 3.679 30 20 CHED C=C(Br)CN1CCS[C@@H](c2ccccc2)C1 735562006 GJGNBQMBUOBXAV-CYBMUJFWSA-N 298.249 3.685 30 20 CHED CCc1ccc(N(CC(C)C)C(=O)c2cc(C#N)c[nH]2)cc1 794127657 QXKBSEHCRIVNFJ-UHFFFAOYSA-N 295.386 3.752 30 20 CHED Cc1cc(OC(=O)c2cc(C#N)oc2C)ccc1Cl 797941432 RSFOIGXNAVUWLC-UHFFFAOYSA-N 275.691 3.641 30 20 CHED Cc1ccc(NCc2ccc(C#N)c(F)c2)c(C)c1 190311676 GXZNJTLUBIXHPF-UHFFFAOYSA-N 254.308 3.926 30 20 CHED N#Cc1cc(N2CCC[C@H](C3CCCCC3)C2)ccn1 708374450 PLHMOMYMVSARKE-HNNXBMFYSA-N 269.392 3.750 30 20 CHED COc1cccc([C@H](C)N[C@H](C)CC(C)(C)C#N)c1 710019129 SDUMCCXIKQXSAO-OLZOCXBDSA-N 260.381 3.674 30 20 CHED N#Cc1ccc(F)c(COc2cccc(F)c2F)c1 62614824 JZEQULYEOLGCCX-UHFFFAOYSA-N 263.218 3.555 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2cc(C#N)ccc2F)cc1 1206055540 ISBPZJDYSYWAFT-LBPRGKRZSA-N 297.333 3.889 30 20 CHED CCOC(=O)[C@H]1CCC(=NNCC2(C)CCCC2)C[C@@H]1C 793085078 XNHHIAYBKKRFIW-ZFWWWQNUSA-N 294.439 3.512 30 20 CHED C#CCCCCCc1nc([C@H]2CCC(F)(F)C2)no1 799189630 DMHOGOSOVFDLCQ-NSHDSACASA-N 268.307 3.709 30 20 CHED CC1(CNN=Cc2cccc3[nH]ccc23)CCCC1 793083598 BECXLDJEXGAVEX-UHFFFAOYSA-N 255.365 3.672 30 20 CHED C=CCC[C@@H](C(=O)NOC[C@H](C)CC)c1ccccc1 794869627 IVEYFQQVKUEHHV-GDBMZVCRSA-N 275.392 3.830 30 20 CHED O=C(/C=C/c1cc(Cl)cs1)c1ccnc(F)c1 794718825 FJWOSIMAONBCPD-OWOJBTEDSA-N 267.712 3.832 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714395150 QJDVNOZDIRTWNO-ZJIFWQFVSA-N 261.409 3.511 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2Br)no1 791432666 OFVRYJUCEODJJZ-SREVYHEPSA-N 292.132 3.642 30 20 CHED CCc1cc(C#N)c(NC(=O)CC#Cc2ccccc2)s1 1319210965 CLMJEKDTZLBUDL-UHFFFAOYSA-N 294.379 3.562 30 20 CHED N#Cc1ncccc1SCc1cc2ccccc2o1 1166182796 KJPGJDHUWBQZEL-UHFFFAOYSA-N 266.325 3.992 30 20 CHED CC(C)(NC(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 1322435179 WZKFVVGIOMPQFQ-UHFFFAOYSA-N 288.366 3.786 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@H](C)c1c[nH]c2ccccc12 1322165890 RYQVCBYCEMKSSF-AWEZNQCLSA-N 294.398 3.533 30 20 CHED Cc1nccn1CCCSCc1cc(C#N)ccc1F 1328749417 NBSGAHGOSUQLER-UHFFFAOYSA-N 289.379 3.526 30 20 CHED C=C[C@H](COC)N[C@H](C)c1nc(-c2ccccc2)cs1 1320306186 NIHQMGHDLUBDDH-TZMCWYRMSA-N 288.416 3.662 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(Br)c(C)cc1C 1326735873 LKGFSVSUUVKMLB-SNVBAGLBSA-N 296.164 3.525 30 20 CHED N#Cc1ccc(-c2nnc(CCC3CCCC3)o2)cc1 1328349438 VNAVBFOBRCAMRG-UHFFFAOYSA-N 267.332 3.731 30 20 CHED CC(C)(C)c1cnc(Sc2snc(Cl)c2C#N)[nH]1 1187247927 IQABGNIGOSFQCQ-UHFFFAOYSA-N 298.824 3.840 30 20 CHED N#Cc1cnc(NC2CCC(C3CCC3)CC2)c(F)c1 1187089803 CAZRXSGKMKVQKK-UHFFFAOYSA-N 273.355 3.863 30 20 CHED C=C(C)CCC(=O)Nc1cc(C)n(C2CCCCC2)n1 1338957512 FHWYLZVXVREYCV-UHFFFAOYSA-N 275.396 3.992 30 20 CHED Clc1cccc(NN=Cc2nc(-c3ccccc3)c[nH]2)n1 1261223386 UDPGTTRLEQWPJU-UHFFFAOYSA-N 297.749 3.571 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1 1195350006 LPNLKSMDFUXANS-VXGBXAGGSA-N 294.345 3.780 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCCC[C@@H]1CC(C)C 1356121063 BRYYLDCYCIUUJV-GFCCVEGCSA-N 298.381 3.807 30 20 CHED N#C[C@@H](NC(=O)Cc1ccc2ccccc2c1)C1CCCC1 1353576491 SPTKGRQTRBXPNT-GOSISDBHSA-N 292.382 3.581 30 20 CHED C=CCN(C)C(=O)c1cc(SC)c(Cl)cc1Cl 161554259 NSDBVHMHBHVZTD-UHFFFAOYSA-N 290.215 3.973 30 20 CHED CCC[C@@H]1CCCN1C(=O)Nc1scc(C)c1C#N 1517657374 ONBYFWIQWRHDDZ-LLVKDONJSA-N 277.393 3.725 30 20 CHED C=C(Cl)Cn1c(CC2CCCC2)nnc1N(C)CCC 1286631588 QFBKYOIMRJMITD-UHFFFAOYSA-N 296.846 3.610 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@H]1C1CCCCC1 1459309616 DVGZUFOURLEODO-SFHVURJKSA-N 298.430 3.982 30 20 CHED N#C[C@H](C(=O)C1C[C@H]2CCC[C@H](C1)C2)c1cccc(F)n1 1524733692 HVUZHYXGAOQOQL-OBJOEFQTSA-N 286.350 3.613 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@](C)(OC)C1CC1 1461960959 CXHLTUMSAVGKQZ-GOSISDBHSA-N 286.419 3.585 30 20 CHED Cc1cc(N[C@@H](Cc2ccccc2)C2CC2)ncc1C#N 1611980095 SPNLDELCKPMPOZ-KRWDZBQOSA-N 277.371 3.695 30 20 CHED Cc1cc(N[C@@H]2CCCc3ccc(F)cc32)ncc1C#N 1472775357 SFNRVOXLYRKITO-MRXNPFEDSA-N 281.334 3.890 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(C#N)c(F)c1 1476707902 UOCHMSSWSQRGHD-SNVBAGLBSA-N 277.343 3.644 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1cc(F)cc(C#N)c1 1544397005 MLBPEABJUUIAAS-OAHLLOKOSA-N 262.328 3.852 30 20 CHED CC1(C)Oc2ccc(NCc3ccc(C#N)s3)cc2O1 119366351 AYYHDGKKPCTBML-UHFFFAOYSA-N 286.356 3.739 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccc(OC)c(C#N)c2)CC1 1624704640 PNSAYQUCRKSOBY-JOCQHMNTSA-N 286.375 3.722 30 20 CHED CCCOc1cccc(CCNc2cc(C)c(C#N)cn2)c1 1642468828 UFYHRLFSJMEACR-UHFFFAOYSA-N 295.386 3.705 30 20 CHED CCc1nc(C#N)cc(Oc2cnc3c(C)cccc3c2)n1 1642819696 BFIKNNWKHYRRHW-UHFFFAOYSA-N 290.326 3.560 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1F)[C@H]1CC1(C)C 1646265697 MRNNHAYBDPVEPL-ZIAGYGMSSA-N 260.356 3.612 30 20 CHED CC[C@H](NCc1ccc(CC#N)cc1)[C@H]1CC1(C)C 1659059099 JJAUAFAEGPGMPD-CVEARBPZSA-N 256.393 3.667 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1 1585047355 VXPNMKXLUUMFLO-RDJZCZTQSA-N 284.403 3.895 30 20 CHED CO[C@@H](CNc1ncc(Cl)c(C)c1C#N)C1CCCC1 1655705944 KDTYNGLUCHJAGN-AWEZNQCLSA-N 293.798 3.532 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccc(F)c(C(=O)O)c2)C1 1776062395 RWXQXDHISLBSHH-WDEREUQCSA-N 278.327 3.748 30 20 CHED Oc1ccc2ccccc2c1/C=N/Cc1ccccn1 5227355 VFROWZLAAHGPSP-LDADJPATSA-N 262.312 3.560 30 20 CHED C=CCCCCCCCCCNc1ncncc1C(=O)O 1776172479 MDAWSJVPIMAHIA-UHFFFAOYSA-N 291.395 3.894 30 20 CHED N#Cc1ccc(/C=C\c2ccc3oc(C(=O)O)cc3c2)nc1 1777566492 PSVIXAXNTSKDSV-RJRFIUFISA-N 290.278 3.568 30 20 CHED C=C(C)CCCC(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1 1776138335 NOGTXQHOHCVWOM-UHFFFAOYSA-N 286.331 3.551 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC[C@H]2C[C@H]3CC[C@H]2C3)C1 1776153023 AKKHJOFQIQJACH-OVWQWFNUSA-N 291.435 3.556 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@H]2C=CCCCC2)CC1 1776168182 FGRQXVRQUZWNMN-INIZCTEOSA-N 291.435 3.866 30 20 CHED CCc1ccc(/C=C\C(=O)c2cccc(C(=O)O)c2)cc1 1776968843 BOSYNQLTNDBRRY-KHPPLWFESA-N 280.323 3.843 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1cccc(C#N)c1)C2=O 14178530 KPUAAMYRSLSJPS-YBEGLDIGSA-N 289.334 3.779 30 20 CHED N#CCOc1cc(F)ccc1NCCCc1ccccc1 150775241 NXANGNDJJKOXMK-UHFFFAOYSA-N 284.334 3.773 30 20 CHED C=CCN(C)C(=O)c1ccccc1OCc1cccs1 161465282 LCVUIGBTSFLYOK-UHFFFAOYSA-N 287.384 3.585 30 20 CHED C=C(Cl)CN[C@@H](C)c1cnc2ccsc2c1 161738717 SGLZIXWGWZZOCX-VIFPVBQESA-N 252.770 3.699 30 20 CHED C=CCCC(=O)N(CC)[C@@H](CC)Cc1ccccc1 162272272 ZWGAKMCGBWUMJL-INIZCTEOSA-N 259.393 3.822 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1NCc1ccco1 160641710 SNVDHWONTDFSRB-ZDUSSCGKSA-N 284.359 3.586 30 20 CHED O=C(/C=C/c1cccc(Cl)c1F)c1cccnc1 160687097 GXHWHMXSDPMGQM-VOTSOKGWSA-N 261.683 3.770 30 20 CHED C=CCCSCC(=O)N[C@H](C)c1ccc(Cl)cc1 151965546 WWECMNFTVMBYCV-LLVKDONJSA-N 283.824 3.827 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1cccc(F)c1F 152599933 KYMLMLWAQFWFAX-NSHDSACASA-N 279.330 3.910 30 20 CHED C=CCC[C@@H](NC(=O)NCC(=C)C)c1ccccc1 156794828 ULEORWUQXZPULM-OAHLLOKOSA-N 258.365 3.569 30 20 CHED C#Cc1ccc(CN[C@H]2CSc3ccccc32)cc1 809621467 GMCSZPJEUIBWQR-INIZCTEOSA-N 265.381 3.605 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)Cc1ccccc1Cl 858511495 ZXYKGELDUVSLFT-GFCCVEGCSA-N 292.810 3.717 30 20 CHED C#CCCCCCCNCc1nnc(C(C)(C)C)s1 877084501 MYCLJCVCMFCBGC-UHFFFAOYSA-N 279.453 3.509 30 20 CHED C[C@@H](Nc1ccc(N(C)C)cc1)c1cccc(C#N)c1 37270318 MFHXOBLETXKGQJ-CYBMUJFWSA-N 265.360 3.797 30 20 CHED N#Cc1cccc(NC(=O)N(Cc2ccccc2)C2CC2)c1 43330147 IEWGWSJZVBBUEP-UHFFFAOYSA-N 291.354 3.755 30 20 CHED Cc1ccc(Oc2ccc(C#N)cc2F)c([N+](=O)[O-])c1 41078645 DEJCCCVZLPPFFO-UHFFFAOYSA-N 272.235 3.706 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2ccc(Cl)s2)n1 308351106 YLTGBZIUGIODNQ-ZETCQYMHSA-N 278.768 3.545 30 20 CHED N#Cc1c(Cl)cccc1N[C@@H]1CCC(F)(F)C1 310222958 FPRTZOCTZUZWGC-MRVPVSSYSA-N 256.683 3.811 30 20 CHED C[C@H](Cc1cccs1)N(C)c1nc(Cl)c(C#N)s1 311038984 ORLJXYLLDMKIAT-MRVPVSSYSA-N 297.836 3.797 30 20 CHED N#Cc1sc(N2CCC[C@@H]2C2CCCC2)nc1Cl 311096779 ZZRHWBHZRJMPKK-SNVBAGLBSA-N 281.812 3.827 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc2cc(F)ccc2s1 608813990 OZXLKQCPNPWKFF-UHFFFAOYSA-N 290.363 3.805 30 20 CHED C=CCCCCCCN[C@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 386605774 AVOGDFHQJQOHSA-LVQVYYBASA-N 251.414 3.669 30 20 CHED CC(C)(C)c1cnc(C=NNCc2ccccc2)s1 814752408 LIONWXDJZXYXFS-UHFFFAOYSA-N 273.405 3.564 30 20 CHED C=CCCC[C@H](C)NC1CCC(O)(C(F)(F)F)CC1 398191994 RUVBDFJYUOWTPV-HIFPTAJRSA-N 279.346 3.557 30 20 CHED CCCCCCCCCN[C@H]1CCC[C@H]1C(=O)O 1595705144 PYBWCXXGHQQHEM-KGLIPLIRSA-N 255.402 3.580 30 20 CHED C=CCNc1nc(-c2cc3ccccc3oc2=O)cs1 2473953 PXQLXWORXXISQD-UHFFFAOYSA-N 284.340 3.514 30 20 CHED CC(=O)c1ccc(F)cc1OCc1ccc(F)cc1C#N 103136301 ABLSZAFUVOWMJX-UHFFFAOYSA-N 287.265 3.618 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])cc1C#N 57141799 FJZFLROLCZCSRM-QGZVFWFLSA-N 293.326 3.874 30 20 CHED COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 20096737 YDGIVMQZINCBDV-ZIAGYGMSSA-N 280.371 3.979 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 117481106 SNDWYHRFFVRFLF-PBHICJAKSA-N 299.418 3.839 30 20 CHED C[C@H](C(=O)Nc1sccc1C#N)c1ccccc1F 108956723 CCXQJWSCFWYGLX-VIFPVBQESA-N 274.320 3.501 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@H](C)C1 310676201 JKNNFHFUYLHPHI-CQSZACIVSA-N 252.402 3.564 30 20 CHED C=CCCC(=O)N1CCC[C@](C)(c2ccccc2)C1 113214819 PVJNOAWJEOBWIA-KRWDZBQOSA-N 257.377 3.533 30 20 CHED CCc1noc(C)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1 25839563 LYPZKFUVXHOHRY-UHFFFAOYSA-N 297.358 3.599 30 20 CHED Cc1csc(C(C)(C)NCCCC(C)(C)C#N)n1 174866443 PPZUIBYULZQPOW-UHFFFAOYSA-N 265.426 3.606 30 20 CHED CCCCC1CCC(NC(=O)N(C)C[C@H](C)C#N)CC1 67647356 ULYOGJUDFMLESR-WLYUNCDWSA-N 279.428 3.536 30 20 CHED CCCCCCCC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 119952628 MQQAMASHQCZTJZ-GOEBONIOSA-N 299.480 3.518 30 20 CHED Cc1ccc([C@H](CNCC(C)(C)CCC#N)N(C)C)cc1 174320705 HIUOLVLVTXSKLS-KRWDZBQOSA-N 287.451 3.517 30 20 CHED C=CC1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 110369202 DLYHQDPXNDARFH-UHFFFAOYSA-N 297.320 3.673 30 20 CHED Cc1nc(NC(=O)CCC2CCC2)sc1SCC#N 175601386 IRUKXMWEPYLKSG-UHFFFAOYSA-N 295.433 3.586 30 20 CHED CCCCCCCC(=O)Nc1cccc(Cl)c1C(N)=O 173189439 ITCGKQUFFLHUNG-UHFFFAOYSA-N 296.798 3.738 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 69314011 ALCZVVZCZLOFQG-JTQLQIEISA-N 287.281 3.625 30 20 CHED N#Cc1cccc(NC(=O)c2cccc(C(F)F)c2)c1 171517772 AWMXRXBCTCIJCK-UHFFFAOYSA-N 272.254 3.748 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(COC)c1 122761307 UASHRMDJHYEIOU-UHFFFAOYSA-N 259.349 3.540 30 20 CHED C=CCOc1ccccc1CNC(=O)c1c(C)oc(C)c1C 111029971 MIXLGTLHNJUODZ-UHFFFAOYSA-N 299.370 3.700 30 20 CHED C[C@H]1Cc2ccccc2N1c1ccc(Cl)c(C#N)n1 301498895 CRCFZQMBRBVKDH-JTQLQIEISA-N 269.735 3.689 30 20 CHED CCC[C@H]1CCCCN1c1ccc(Cl)c(C#N)n1 302143151 PVXUOZOTRBZYBM-NSHDSACASA-N 263.772 3.766 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1cccs1 172661553 CWRKCXAGIOPGCQ-WDEREUQCSA-N 296.351 3.869 30 20 CHED C=CCOc1cccc(NC(=O)N(C)CC2CCC2)c1 111736647 WYFBNZOKQATSQI-UHFFFAOYSA-N 274.364 3.515 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(SCc2ccccc2)c1 302203035 ILHMHJSHNKPXON-UHFFFAOYSA-N 270.313 3.759 30 20 CHED Cc1csc(-c2cccc(Nc3cnc(C#N)cn3)c2)n1 123455290 BIRVYRZLDNGTKJ-UHFFFAOYSA-N 293.355 3.524 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1cc(C)ccc1C 121815051 KONQFBFPGQNAFF-UHFFFAOYSA-N 286.419 3.825 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1c(Cl)cnn1C 122653283 OGUIFOKSMBGWNN-BQYQJAHWSA-N 299.761 3.759 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)Nc1cccc(C#N)c1 354760190 IUWNEEQTXFEKEQ-XUJVJEKNSA-N 271.364 3.504 30 20 CHED C=CCCCN(C)C(=O)c1c[nH]cc1-c1cccc(OC)c1 76650882 IVOAIGKRHYOOKU-UHFFFAOYSA-N 298.386 3.729 30 20 CHED CC#CCCCC(=O)N[C@@H](CC)CSc1ccccc1 185931531 XWHQMFURGOPUTI-HNNXBMFYSA-N 289.444 3.867 30 20 CHED C=CCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 74264952 HZUVUHQSBUJMEJ-DOTOQJQBSA-N 271.404 3.995 30 20 CHED C[C@H](CCCc1cccnc1)Nc1ccc(C#N)cc1F 413395987 OLBIBJYWZUAROC-CYBMUJFWSA-N 283.350 3.916 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cc2n(n1)CCC2 414304766 QWLFHWMTBFXNFI-DOTOQJQBSA-N 295.430 3.667 30 20 CHED CCOc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)cc1 120206191 UMKKQDLCSUOAQQ-CYBMUJFWSA-N 298.361 3.947 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C#N)cc1 78651793 VUANEEABRILEMI-UHFFFAOYSA-N 282.387 3.767 30 20 CHED CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 185547653 CNKNRXPUEGUREW-CABCVRRESA-N 270.376 3.718 30 20 CHED CC#CCCCC(=O)N1CCC[C@](C)(c2ccccc2)C1 185557562 KPXDZBFCJPCLLC-IBGZPJMESA-N 283.415 3.760 30 20 CHED N#CC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 126617697 BFQOYMCUISWZMY-UHFFFAOYSA-N 287.363 3.689 30 20 CHED C=C(C)CN(C)C(=O)CCSc1ccccc1Cl 183063076 FCMKAPWHKRPWRW-UHFFFAOYSA-N 283.824 3.857 30 20 CHED N#Cc1cnccc1/C=C\c1cc(F)cc(Cl)c1 504720549 JMEIWFCFVQWSDL-UPHRSURJSA-N 258.683 3.916 30 20 CHED C=CCC[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 416348759 VSNYUVRRZRYDMK-INIZCTEOSA-N 282.387 3.546 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(C(F)(F)F)cc1C 410834207 JSTDGDWOIZTATG-LBPRGKRZSA-N 298.308 3.778 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 183857337 BOWYJOHDKQCUSB-YOEHRIQHSA-N 286.419 3.797 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCc1cccs1 182598789 QFWUSLAAVASQNA-ZDUSSCGKSA-N 265.422 3.932 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1c[nH]c2ccc(F)cc12 182601010 QUTIENFHHIOSPF-GFCCVEGCSA-N 288.366 3.711 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCC2)c2ccccc2n1 44300269 FACYUKLLWOSKNH-UHFFFAOYSA-N 279.343 3.566 30 20 CHED Cc1cnc(N=C(O)c2coc(C3CCCC3)n2)s1 328837382 XTJQSAWPHIJDFQ-UHFFFAOYSA-N 277.349 3.733 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)s1 48625232 JZXMBHPBKYYTJA-HYXAFXHYSA-N 270.353 3.888 30 20 CHED CC1(C)CN(c2ccc(C#N)nc2)C[C@@H]1c1ccccc1 135567623 JGKIUYXKTPNLNC-QGZVFWFLSA-N 277.371 3.583 30 20 CHED COC(C)(C)[C@@H](C)Nc1cccc(OCCCC#N)c1 336829332 GSOKVSMRCQQWTJ-CYBMUJFWSA-N 276.380 3.595 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(OC)c(Cl)c1 412800622 VRMQDJVYTKIMQI-INIZCTEOSA-N 295.810 3.909 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2CC#N)C[C@H]1C 410828538 NUBNMWRTJQYAGP-UMVBOHGHSA-N 270.376 3.763 30 20 CHED CC[C@@H](CC(C)C)C(=O)N1CCc2ccc(C#N)cc21 450258823 TVQWNHLBNQWUJQ-AWEZNQCLSA-N 270.376 3.520 30 20 CHED N#Cc1c(Cl)cccc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 450393629 WAPTXLBHGQJEQS-YVLXSGLVSA-N 276.767 3.581 30 20 CHED C=CCCCC(=O)N(C)Cc1ccccc1Br 175105776 DEFPVBNMRJARRW-UHFFFAOYSA-N 296.208 3.764 30 20 CHED C[C@@H]1CCN=C(O)[C@H]1/N=C(/O)C(C1CCC1)C1CCC1 329109692 JAVVGEYBIPPCGW-YGRLFVJLSA-N 278.396 3.524 30 20 CHED C=C[C@@H](CC(=O)N[C@H](CCCC)COC)c1ccccc1 135222978 OXCUFSCLBMBEGM-DOTOQJQBSA-N 289.419 3.668 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2o1 45244121 RYNPEUQIYDVKIF-UHFFFAOYSA-N 290.322 3.577 30 20 CHED CN(Cc1cscn1)Cc1ccccc1C(C)(C)C#N 135144619 AVMRXGDYEBFWDE-UHFFFAOYSA-N 285.416 3.576 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC1(CC(C)C)CC1 426018987 HMABUDLLNRODGP-CQSZACIVSA-N 264.413 3.563 30 20 CHED CC1(/N=C(/O)c2cnc([C@H]3CCCO3)s2)CCCC1 328851892 VHEMVYADQPKGSK-SNVBAGLBSA-N 280.393 3.632 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cccc(C#N)c2F)n1 513240792 DHNUHOMLKIEETR-UHFFFAOYSA-N 297.358 3.873 30 20 CHED C[C@H]1CCCC[C@@H]1OCC(O)=Nc1cccc2c1OCO2 329327242 XCOKBTZFEILHDY-AAEUAGOBSA-N 291.347 3.599 30 20 CHED C=C(CNC(=O)N1CCC[C@@H](C)[C@@H]1C)c1ccccc1 512679402 YUEIUUHEABXZHI-HIFRSBDPSA-N 272.392 3.530 30 20 CHED C=C[C@@](C)(CC)c1nc([C@H](C)c2nccs2)no1 424358422 ZSLDEGGLWLRLIG-ZANVPECISA-N 263.366 3.532 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 424741718 UEWPMSBLGOHJDW-DJIMGWMZSA-N 284.403 3.974 30 20 CHED C=CCCCS[C@H]1CCN(c2c(F)cccc2F)C1=O 88306822 PCSDWWOREYEZAK-ZDUSSCGKSA-N 297.370 3.770 30 20 CHED C[C@H](C(=O)NCCCCC#N)c1ccc(C(F)(F)F)cc1 336939474 WYEOCZZVFBBAMB-NSHDSACASA-N 298.308 3.619 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CC[C@H](C#N)C1 339193523 GZFMHMZTILTKAC-RDJZCZTQSA-N 286.423 3.534 30 20 CHED Cc1nc(NC(=O)[C@@]2(C#N)C[C@@H]2C)ccc1-c1ccccc1 336291766 LLTAEKHWCZHICQ-KPZWWZAWSA-N 291.354 3.545 30 20 CHED C=C(CNC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21)c1ccccc1 512671189 DSEPBRIWJODZTO-JQHSSLGASA-N 298.430 3.920 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C(C)(C)C1 335883628 YOKMHDABZWCKRN-ZDUSSCGKSA-N 284.403 3.748 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC(CC)(CC)CC1 338811357 PNGUYJKXYDXDHV-UHFFFAOYSA-N 276.428 3.569 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccccc1F 237764257 JWDZKPWKSGMNRM-UHFFFAOYSA-N 273.282 3.589 30 20 CHED C=CCOc1ccc(CNC(C)(C)CCC)cc1OC 236767087 OPKQZRMITGJXPB-UHFFFAOYSA-N 277.408 3.928 30 20 CHED CC[C@H](c1ccncc1)N(C)CC#Cc1ccc(F)cc1 92224914 HDOZZVWLVJOSAL-GOSISDBHSA-N 282.362 3.655 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)CCCC#N 332735796 VBAGOGFUVSONMP-YJBOKZPZSA-N 284.403 3.756 30 20 CHED C=CCOc1cccc(NC(=O)N2CCCC[C@H]2C)c1 98029817 JKUASTSWOFLMBI-CYBMUJFWSA-N 274.364 3.658 30 20 CHED C[C@H]1CC[C@@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 336384934 ZFZFVFWXURIBNY-KBXCAEBGSA-N 294.398 3.610 30 20 CHED COc1ccc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 334166296 AHLKALJMIIQEPJ-PBHICJAKSA-N 284.403 3.567 30 20 CHED C=CCCCCN[C@@H](C)c1cccc(N2CCCC2=O)c1 349378629 LLXFKERHGWALOJ-HNNXBMFYSA-N 286.419 3.820 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cccc(-c2ccncc2)c1 341881489 RJYKTWXOEDZOHN-CVEARBPZSA-N 296.414 3.584 30 20 CHED Cc1cc(N2CC[C@H](c3c(F)cccc3F)C2)cc(C#N)n1 342887670 OZGRHDNDEXCNBR-LBPRGKRZSA-N 299.324 3.534 30 20 CHED C=CCOc1cccc(CNCC(C)(C)CCC#N)c1 342279905 NKNJNSSQHWCGRU-UHFFFAOYSA-N 272.392 3.671 30 20 CHED Cc1nc2ccccc2cc1C(=O)Nc1ccc(C#N)cc1 341882886 DKCUWISPADJFLB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CCCc1nc(CON=Cc2ccccc2OC)cs1 255872873 LIKVOHUOMFAHBI-UHFFFAOYSA-N 290.388 3.655 30 20 CHED CC(C)N(C(=O)CSCCC(C)(C)C#N)C1CCCC1 341991182 BTAVHWNBBKVMND-UHFFFAOYSA-N 296.480 3.839 30 20 CHED CC1(C)CCCN(C(=O)C(C2CCC2)C2CCC2)[C@H]1C#N 344054269 WHRAKEIZQUNFBE-HNNXBMFYSA-N 288.435 3.744 30 20 CHED C=C(C)COc1cccc(NC(=O)CSC(C)C)c1 608947438 XOAQUNKVRVWJGH-UHFFFAOYSA-N 279.405 3.722 30 20 CHED Cc1cccc2c1CCCN2Cc1cc(C#N)ccc1F 609625969 ZTEAXELBSLWNMP-UHFFFAOYSA-N 280.346 3.959 30 20 CHED COc1cc(C#N)ccc1COc1cccc2oc(C)nc12 340594307 GGTKNHDEUXYQFW-UHFFFAOYSA-N 294.310 3.596 30 20 CHED CC1(C)CC[C@H]1NCc1cccc(OCCCC#N)c1 342227295 YJNYKVAAHWKINE-MRXNPFEDSA-N 272.392 3.647 30 20 CHED Cc1nnc(NCCC(C)(C)c2ccccc2)c(C#N)c1C 604380429 YHKRNWFRQGGEME-UHFFFAOYSA-N 294.402 3.745 30 20 CHED O=C1/C(=C\c2cc(F)c(F)cc2F)Cc2c(O)cccc21 255014137 TWIKOBMMPKNGBR-WTKPLQERSA-N 290.240 3.632 30 20 CHED N#CC1(CCCOc2cc(F)cc(Cl)c2)CCOCC1 600674580 FHQHNAGFSWYAQD-UHFFFAOYSA-N 297.757 3.958 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1nc(C)cc(C)c1C#N)CC2 609288345 LIBBOKAWFTUVIL-KRWDZBQOSA-N 277.371 3.978 30 20 CHED C=CC(C)(C)CN[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 449483405 AGXFEUWCLBSCLS-KGLIPLIRSA-N 291.435 3.998 30 20 CHED C=CCCCNC(=O)N1CC[C@](C)(c2ccc(C)cc2)C1 448042170 HUKMLJYSEDVJPO-SFHVURJKSA-N 286.419 3.634 30 20 CHED Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OCC2CC2)c1 442781112 LYORQDVKQBCPCA-RDJZCZTQSA-N 284.403 3.566 30 20 CHED Cc1cc(Cl)ccc1OCCCN[C@H]1CC[C@@H](C#N)C1 442789241 YHOSOQLPHOXZCD-HIFRSBDPSA-N 292.810 3.699 30 20 CHED C[C@@H](CNC[C@H](C)CCC#N)Oc1ccc(Cl)cc1 602567694 NCPKYFSSDZEYRH-OLZOCXBDSA-N 280.799 3.637 30 20 CHED C=CC[C@H](C)NC(=O)c1nc(C)sc1-c1ccccc1 352438249 QEMXOKPRRUMSEV-NSHDSACASA-N 286.400 3.813 30 20 CHED C=CCN(Cc1ccc(Cl)s1)c1nnc(C)n1CC 358650713 PXONUXKKZHHFKG-UHFFFAOYSA-N 296.827 3.514 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCC[C@H]1c1ccccc1 448685248 VMQBFRWSJJBBCC-IRXDYDNUSA-N 271.404 3.995 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCC[C@@H](C)c1ccccc1 449548979 SREYROVLADUEEB-OIISXLGYSA-N 259.393 3.503 30 20 CHED C=CCC1(C(=O)Nc2ccc(-n3ccnc3)cc2)CCC1 357961021 MNJSTUYUYUHEFE-UHFFFAOYSA-N 281.359 3.557 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)Nc1cc(CC#N)ccn1 532181310 YASFBLDOVGGIMU-ZDUSSCGKSA-N 285.391 3.693 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[C@@H](C#N)C1 618903831 AEKUGLPYPOSKCW-OCCSQVGLSA-N 282.309 3.829 30 20 CHED C=CCCNC(=O)CCCCOc1cc(C)ccc1C 617614975 WNEDLGJINIEIJU-UHFFFAOYSA-N 275.392 3.545 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 613037820 HKNBIFUMKUOLKR-VHSXEESVSA-N 299.201 3.905 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc(O)cc1 614402746 CDNIEVWDPAVBMK-IBGZPJMESA-N 292.382 3.909 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 263307839 WHLYWBMJIYLLPZ-LBPRGKRZSA-N 289.375 3.590 30 20 CHED C=CCCC(=O)N1CCc2nc(-c3ccccc3)sc2C1 618084623 FHMBKONRHFUWIH-UHFFFAOYSA-N 298.411 3.661 30 20 CHED CC(C)COc1cccc(CN2CCC[C@](C)(C#N)C2)c1 612405645 BWLCRNVHLHNJFX-GOSISDBHSA-N 286.419 3.847 30 20 CHED Cc1cc(Cl)cc(C)c1CNCC(C)(C)CC#N 459730458 MOPOBTUZDQRFAA-UHFFFAOYSA-N 264.800 3.986 30 20 CHED Cc1cc(C(=O)NC2(c3cccc(C#N)c3)CC2)sc1C 269594923 DPYNTTKBBSMVOY-UHFFFAOYSA-N 296.395 3.656 30 20 CHED CCN(C(=O)[C@@H]1CC[C@H](C)C1)[C@H](C)c1ccc(C#N)cc1 537328186 AGEYDNUIAVOVCR-JJRVBVJISA-N 284.403 3.904 30 20 CHED C=CCCOCCCCC(=O)Nc1scnc1C(C)C 456434928 IJIOVXJHUBOGRI-UHFFFAOYSA-N 296.436 3.968 30 20 CHED CCC(C)(C)CCSc1nc(C)nc(C)c1C#N 361447299 JXQMRVHFKNRLEU-UHFFFAOYSA-N 263.410 3.884 30 20 CHED N#Cc1ccc(CNCc2cccc3cc[nH]c23)cc1Cl 619748398 KEQUHCSNJYKSOD-UHFFFAOYSA-N 295.773 3.983 30 20 CHED CC(C)Sc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1 459485124 SZNSZODRGAHJPS-ZBFHGGJFSA-N 274.433 3.969 30 20 CHED N#Cc1cc(F)ccc1NC(=O)Cc1cc2ccccc2o1 610577986 BJGODRSVTGBDDZ-UHFFFAOYSA-N 294.285 3.625 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Nc1ccccc1C#N 541585162 QYFOSKSSDZSPNE-LBPRGKRZSA-N 258.365 3.959 30 20 CHED C=C(CC)CNC(=O)N(CC)Cc1cccc(Cl)c1 455518056 FZTFQMOMVPQCOY-UHFFFAOYSA-N 280.799 3.838 30 20 CHED COc1cc(C#N)ccc1NC(=O)Nc1cccc(C)c1C 545296861 YGJPBZNWMFIFHC-UHFFFAOYSA-N 295.342 3.828 30 20 CHED C=CCNC(=O)c1cccc(-c2noc([C@H](C)CCC)n2)c1 544367334 DYJSGARUSCQFFH-GFCCVEGCSA-N 299.374 3.556 30 20 CHED N#CCN(C/C=C\c1ccc(F)cc1F)C1CCCC1 541770156 CJQYKGXNVDGCPV-ARJAWSKDSA-N 276.330 3.746 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCCCC#N)cc1 543380160 RKNJWIBALXREKZ-DLBZAZTESA-N 299.418 3.576 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)NCC(C)(C)CC#N)cc1 459259420 NRMCOCXTJXBYRT-CQSZACIVSA-N 287.407 3.637 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)NCC(C)(C)CCC#N 458774526 VLGQATPEXSLTHX-CJNGLKHVSA-N 279.428 3.584 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C)cccc1O 625758758 GMCOJBNTCGGXFB-UHFFFAOYSA-N 261.365 3.519 30 20 CHED CC[C@H](N[C@H](COC)c1ccc(C)o1)c1ccc(C#N)cc1 278383196 DFSJSRCRIOMCKC-DLBZAZTESA-N 298.386 3.888 30 20 CHED C=CCN(C(=O)C(C)(C)c1ccc(Cl)cc1)C1CC1 541597609 VXLGQCVKZVOUDL-UHFFFAOYSA-N 277.795 3.795 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(F)c1SC 622905245 YZFDDOIPKAZUQK-HNNXBMFYSA-N 297.395 3.715 30 20 CHED Cc1cc(N(C)C)ccc1N[C@H]1CCC[C@H](C#N)C1 274213895 OGEJSRAOABCDNJ-KBPBESRZSA-N 257.381 3.555 30 20 CHED C[C@@H](C#N)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 542695810 FEVJPSXPYAPGEY-LRDDRELGSA-N 258.340 3.511 30 20 CHED C=C(C)CNC1(c2ccc(F)cc2F)CCCC1 540433240 QZKNESSWDWDMNP-UHFFFAOYSA-N 251.320 3.900 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 542279794 MPXSUBUTWSXCIL-BEFAXECRSA-N 276.383 3.946 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1cn(C(C)C)nn1)C2=O 287191016 KZAGMIIAVYXXSP-AZZDOICSSA-N 281.359 3.551 30 20 CHED C[C@H](CCOCc1ccccc1)N[C@H]1CCC[C@H](C#N)C1 286997052 JWMGSKLRXPVWEE-NJAFHUGGSA-N 286.419 3.654 30 20 CHED C[C@H]1CCN(C(=O)CC(C)(C)C#N)CC12CCCCC2 370601197 GDMDHKMIYOJNFM-AWEZNQCLSA-N 276.424 3.745 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1nc(Cl)c(C#N)s1 281164443 LWCZBISNGKNPKC-HTQZYQBOSA-N 287.841 3.754 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 557384479 PXUXJQWBUOECEJ-INIZCTEOSA-N 298.430 3.917 30 20 CHED C[C@@H]1CCCN([C@H](C)CNc2c(Cl)cccc2C#N)C1 462781262 XRXBBBGOASOSCL-CHWSQXEVSA-N 291.826 3.744 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(F)c(F)c1 281073077 VOKCLZSZALASLW-FNORWQNLSA-N 290.313 3.947 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1ccc(SC)cc1 282246965 OIHQKXOHVUIWMJ-CYBMUJFWSA-N 290.432 3.853 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1C(F)(F)F 281207195 CMCMEJJDKIGLKD-SNVBAGLBSA-N 271.282 3.790 30 20 CHED N#CC1(C(=O)NCCCCC2CCCC2)CCCCC1 464581319 OAYXUMCMNJPHQH-UHFFFAOYSA-N 276.424 3.937 30 20 CHED N#CCSCCCN1CCC[C@@H](Cc2ccccc2)C1 377892799 DOSDXSHJGBEOKG-KRWDZBQOSA-N 288.460 3.588 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(-c2ccccc2)o1 466978777 ITRRZIQVLJNLJH-UHFFFAOYSA-N 284.359 3.664 30 20 CHED C=CCCC(=O)N(Cc1cccc(F)c1)C(C)(C)C 460472646 QQKZACOBCHJRBD-UHFFFAOYSA-N 263.356 3.919 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC)C(C)(C)c1ccccc1 467106756 LRWFNSBZFPHVIS-MRXNPFEDSA-N 288.435 3.960 30 20 CHED N#CCC[C@H](C#N)CNCc1ccc(OC2CCCC2)cc1 550999547 KVTMQJPVGYANJT-MRXNPFEDSA-N 297.402 3.541 30 20 CHED CC1(C)CN(c2ccc([N+](=O)[O-])c(C#N)c2)CC(C)(C)C1 466469795 WZBSWCGQOCWTMM-UHFFFAOYSA-N 287.363 3.729 30 20 CHED Cc1c(NCCC(C)(C)C#N)cnn1-c1ccccc1F 288804729 ZOGZKTCGLQOYJS-UHFFFAOYSA-N 286.354 3.672 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cccc(CC(C)C)c1 552275541 ZEFIYIJENIOLTJ-NVXWUHKLSA-N 275.436 3.720 30 20 CHED C=CCN(C)Cc1c(C)cc(C)nc1OCc1ccccc1 553909936 AJNOQGWYQGBPLM-UHFFFAOYSA-N 296.414 3.895 30 20 CHED N#CCSCCCOC(=O)/C=C\c1ccc(Cl)cc1 805342433 YYCKLJGUJORXMQ-DAXSKMNVSA-N 295.791 3.543 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)C(C)(F)F 294770119 ZCHXFVIBZJAAHJ-SNVBAGLBSA-N 296.317 3.575 30 20 CHED C=CCC[C@@H](NCc1oc(CCC)nc1C)C1CC1 293665184 MFUSJRLXDYNDCZ-CQSZACIVSA-N 262.397 3.770 30 20 CHED C=CCCCCNC(=O)c1ccc(-c2ccco2)nc1C 471703475 VWBFSHDCOZEXNE-UHFFFAOYSA-N 284.359 3.736 30 20 CHED CCCNN=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2 807963469 VRQDQWKJWDZNKI-IYBDPMFKSA-N 256.393 3.557 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(C(F)F)c1 294165767 IOZLQKSZSNETKP-UHFFFAOYSA-N 267.319 3.956 30 20 CHED Cc1ccc(CNC(=O)Nc2scc(C)c2C#N)c(C)c1 569302848 HMYGUBBRRZTHSN-UHFFFAOYSA-N 299.399 3.867 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H]1[C@@H](C)CCC 472835807 AAESRJVFSHSIJR-GJZGRUSLSA-N 266.429 3.953 30 20 CHED COC(=O)c1ccccc1CCSc1cccc(C#N)c1 479103434 ZLAIEMCUZYBUQF-UHFFFAOYSA-N 297.379 3.680 30 20 CHED C=CC(C)(C)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C 295366615 WJEYAZJZCLVKRL-UKRRQHHQSA-N 257.377 3.603 30 20 CHED CCC[C@H](C)NC(=O)[C@H](C)Sc1ccc(C#N)c(C)c1 566223646 SXDSZUVOVCSQIF-STQMWFEESA-N 290.432 3.652 30 20 CHED C=C(CC)COc1c(OC)cc(C(=O)CC)cc1OC 649445625 ORLLGGQQBNSCJX-UHFFFAOYSA-N 278.348 3.642 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(C)cc(C)n2)CCCC1(C)C 800963484 CAYYPBKFIVPBQN-INIZCTEOSA-N 286.419 3.905 30 20 CHED C#CCCc1noc(C[C@@H]2C[C@H](C)c3c(C)cccc32)n1 809397379 QCJNBSABLUVYTL-KBPBESRZSA-N 280.371 3.777 30 20 CHED CC(=NN[C@@H]1CCSC1)c1ccc(-c2ccccc2)o1 808003010 IPFPMZWBWFVSJY-CQSZACIVSA-N 286.400 3.766 30 20 CHED CCC[C@@H](C)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1 809360136 VORIBNZOBOZCSL-IUODEOHRSA-N 294.358 3.695 30 20 CHED N#Cc1cc(NC[C@@H]2CCCCC2(F)F)ccc1[N+](=O)[O-] 295010808 SXQYUJUAWAFLOM-NSHDSACASA-N 295.289 3.704 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)sc1C 644961282 STFLXDZCNIPICF-UHFFFAOYSA-N 251.395 3.697 30 20 CHED C=C(CNC(=O)CCCc1ccsc1)c1ccccc1 805251141 PBYIVFINBJIMHL-UHFFFAOYSA-N 285.412 3.900 30 20 CHED CCCCCNC(=S)NN=C1CCC[C@@H]1CCCF 800808273 IGOGZQIHFHXKAE-GFCCVEGCSA-N 287.448 3.547 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C1(C)CCCCC1 569906619 PAFFVRAOFHMSGL-UHFFFAOYSA-N 284.359 3.670 30 20 CHED N#Cc1cccc(C2(NCCOC3CCCCCC3)CC2)c1 560175475 RQDWZDXJFNCVOH-UHFFFAOYSA-N 298.430 3.876 30 20 CHED C=CCOCCCC(=O)OCc1ccc(C(C)C)nc1C 293227384 YFGXMSDYUHSFCG-UHFFFAOYSA-N 291.391 3.539 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Oc1ccc2ccccc2c1 471113321 RCTIDFQPDVMBBR-AWEZNQCLSA-N 283.371 3.642 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@H]1CC[C@@H](C)C1 475304020 RUKUDDMFRAPAFT-KGLIPLIRSA-N 292.448 3.882 30 20 CHED COc1ccc2c(c1F)CCC2=NNc1cccc(F)c1 807966197 HFYBGHUNUYEIQX-UHFFFAOYSA-N 288.297 3.736 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H]1CCCc2ccccc21 568582291 CCIKYGKPUGSPIA-KRWDZBQOSA-N 294.398 3.824 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)n([C@@H](C)CC)n1 480818635 UQFORKYPNDCCAH-OLZOCXBDSA-N 277.412 3.637 30 20 CHED C=CCCC1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 561857169 YDYWJIYCHYGDBH-UHFFFAOYSA-N 285.303 3.643 30 20 CHED CCCCCCCC(=O)N1C[C@@H](CO)Cc2ccccc21 816783530 VWLSOMVEFCKAON-HNNXBMFYSA-N 289.419 3.545 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](c1cccs1)C1CC1 814872984 GWOWZUNJUXWPCX-LLVKDONJSA-N 271.332 3.527 30 20 CHED c1nc(NN=C2CC[C@@H]2C2CCC2)c2sccc2n1 814880269 YHTUCGVYLFBVSF-SNVBAGLBSA-N 272.377 3.669 30 20 CHED C=C(C)CN1CCC(N[C@@H]2C[C@@H](C)c3ccccc32)CC1 564144813 VVRUOLPSUWVNFH-DNVCBOLYSA-N 284.447 3.865 30 20 CHED C#CCON=C1CCC(O)(c2ccc(C(C)C)cc2)CC1 812233457 SFKOFFQYFUCZAG-UHFFFAOYSA-N 285.387 3.577 30 20 CHED CN(Cc1cc(C#N)ccc1Br)[C@@H]1CC1(C)C 489489618 VRXXZKOCMCLVTR-CYBMUJFWSA-N 293.208 3.551 30 20 CHED C=CCCCS(=O)(=O)N(c1ccccc1)C1CCCC1 489298576 XRAJOGOQUQCFHY-UHFFFAOYSA-N 293.432 3.732 30 20 CHED C=CCC[C@H](C(=O)N1CCO[C@@H]2CCC[C@H]21)c1ccccc1 488704312 YXZLMXVTPCPJFO-RCCFBDPRSA-N 299.414 3.516 30 20 CHED CC(C)C1CCC(NC(=O)c2cccc(F)c2C#N)CC1 489695593 LCLLPXBNIQHSTO-UHFFFAOYSA-N 288.366 3.642 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 815698950 FYVYTILXBSQJSO-UKRRQHHQSA-N 293.357 3.850 30 20 CHED C#C[C@H](NC(=O)N(C)C[C@@H](C)CC)c1ccc(Cl)cc1 811959730 VJRBIZOZFPGOII-WFASDCNBSA-N 292.810 3.702 30 20 CHED C=CCCC(CCC)=NNc1ccc(Cl)nn1 814698119 RMLPJEZMIRQGHP-UHFFFAOYSA-N 252.749 3.664 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](C)CSc1ccccc1 651132225 MQMNKEOMLZBBLG-CQSZACIVSA-N 292.448 3.775 30 20 CHED CC(C)CC(=NOCCOC(C)C)c1ccccc1 812240167 KLKPGAIAVPSTSE-UHFFFAOYSA-N 263.381 3.878 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1CC2CCC1CC2 814494150 SORBFZYYOZXLDP-RUXDESIVSA-N 263.381 3.686 30 20 CHED CC1=C(C)C[C@@H](C(=O)N2CCc3ccc(C#N)cc32)CC1 570398732 INUMDVBQSDAVBU-INIZCTEOSA-N 280.371 3.584 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCCCC[C@@H]2C)CC1 651700778 SSLQIIGWHYDQAQ-DOTOQJQBSA-N 264.457 3.585 30 20 CHED CSCC[C@](C)(C#N)NC(=O)C[C@@H]1CCCC(C)(C)C1 571201053 LPBHYYFTRZPQMJ-XJKSGUPXSA-N 296.480 3.744 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1cc(C)c(F)c(C)c1 811659775 YEVYMABOHHOOAL-ZDUSSCGKSA-N 280.412 3.509 30 20 CHED Cc1ccc(NN=C2CCCc3sccc32)nc1 814831497 DXWYYHQEJNWIKJ-UHFFFAOYSA-N 257.362 3.604 30 20 CHED COc1ccc([C@H](C)C(C)=NOC/C=C\Cl)cc1 811668335 NAAMGZRWDQYMFB-TYNJJTSCSA-N 267.756 3.944 30 20 CHED Cc1ccc2c(c1)SCCCN2C(=O)CCCC#N 813198980 ULXPUAUCOVCPBX-UHFFFAOYSA-N 274.389 3.518 30 20 CHED CCc1cccc(Cl)c1C=NN[C@@H](C)c1ccncc1 819815966 DXOCGWFITKKDPK-LBPRGKRZSA-N 287.794 3.982 30 20 CHED C=CCC(F)(F)C(=O)N(CC(C)C)CC(C)(C)C 815814624 PAGBXSJANAJEKL-UHFFFAOYSA-N 261.356 3.729 30 20 CHED CN(CCC#N)c1ccc(CNCCC(C)(C)C2CC2)cc1 815164316 VLAMEGVEGIIQSF-UHFFFAOYSA-N 299.462 3.952 30 20 CHED C[C@@H](CC(=O)OCc1ccc(F)cc1C#N)c1ccccc1 728614963 RBRRQFRJJYZXDP-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED N#Cc1cccc(N[C@H]2CC[C@H](c3cccc(F)c3)C2)n1 480777189 FIXQZEYWCPHJKJ-ZFWWWQNUSA-N 281.334 3.841 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@H](CCCCC)c1ccccc1 810341362 GHKUUEZXULIGMR-SJLPKXTDSA-N 289.419 3.751 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2cccs2)c1 727744407 GKLMTPLFAVDDGK-SREVYHEPSA-N 269.325 3.547 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccc(C#N)cc1 728432511 VEWPOYIUQYGUJG-UHFFFAOYSA-N 286.338 3.943 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc2occ(C)c2c1 490368854 MAQAKDJCCIARGY-UHFFFAOYSA-N 280.327 3.981 30 20 CHED N#Cc1ccc(CCC(=O)OCCC2CCCC2)cc1 726351347 GSXHAOGCIHSUKI-UHFFFAOYSA-N 271.360 3.614 30 20 CHED C#CC[C@H](NCC[C@@H]1CC1(Cl)Cl)c1ccccc1 822818239 OHHKLUMHXOLGJA-KGLIPLIRSA-N 282.214 3.925 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2ccco2)CCCCC1 822465570 LNSFLCQZWRJPLN-AWEZNQCLSA-N 275.392 3.853 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cc(C)ccc1C 490043547 YNCOWNQQOXTHNL-UHFFFAOYSA-N 259.393 3.564 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C(C)C)C(F)(F)F 666850700 CTEVFDCVXUNRBL-JTQLQIEISA-N 280.334 3.617 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 497338859 UUOBFABNVDKOHP-QLFBSQMISA-N 276.424 3.601 30 20 CHED Cc1cc(C)c2oc(N3CCC(CCC#N)CC3)nc2c1 571877295 FLUUOVJCZCNWFT-UHFFFAOYSA-N 283.375 3.965 30 20 CHED CC(C)n1c(=NCc2cc(C#N)cs2)[nH]c2ccccc21 573266494 BOPAEZPOVHADEX-UHFFFAOYSA-N 296.399 3.584 30 20 CHED C#CCN(C(=O)c1ccc2ncccc2c1)C1CCCCC1 490594494 QEWUGZLJBGPWEG-UHFFFAOYSA-N 292.382 3.643 30 20 CHED C#CCN(C)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 491713031 ZYCNYJAMFAAUIH-CYBMUJFWSA-N 290.432 3.523 30 20 CHED N#Cc1ncccc1SC[C@@H]1CCc2ccccc21 581834408 NQARQBJKMZJDPP-ZDUSSCGKSA-N 266.369 3.775 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(=O)O)o2)cc(C)c1F 738319723 OOUMZMDVMHJMBB-HYXAFXHYSA-N 288.274 3.630 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CC23CCCC3)nc2ccccc12 583049414 XFGVWHPKRLANOL-AWEZNQCLSA-N 291.354 3.625 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccccc1F 739424462 JYVRQUIKVNICGU-CLFYSBASSA-N 285.274 3.938 30 20 CHED CCC(=NNc1cc(Cl)nc(C)n1)C1CCCC1 834962394 OKZMNESZMSGSGJ-UHFFFAOYSA-N 266.776 3.807 30 20 CHED C=C[C@](C)(O)C(=O)Nc1ccc(SC2CCCC2)cc1 666201335 VQXCIZMTXHJNHD-INIZCTEOSA-N 291.416 3.597 30 20 CHED C=CCC(F)(F)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 839310093 MHQNPKAZNVZJPD-UHFFFAOYSA-N 298.720 3.776 30 20 CHED CC(C)(CCC#N)COC(=O)c1cc2cccnc2s1 835387128 RQAKQHGYXJOMFA-UHFFFAOYSA-N 288.372 3.783 30 20 CHED N#C[C@H](C(=O)CCC1CC1)c1nc2cc(F)ccc2s1 734713418 NPNIKJIKTFLWAV-LLVKDONJSA-N 288.347 3.802 30 20 CHED C=C[C@H](CC)CC(=O)N(CC(F)(F)F)C1CCCC1 903737333 RINBTWNKRDKMKV-LLVKDONJSA-N 277.330 3.922 30 20 CHED C#CCC[C@H](C)OC(=O)c1csc(-c2ccc(C)o2)n1 839035846 MCVZVIWMXHJHRD-JTQLQIEISA-N 289.356 3.670 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(C(F)F)CCCC2)c1 583856209 UXPPWQHDAPYMMI-UHFFFAOYSA-N 278.302 3.631 30 20 CHED CCCCC[C@H](NC(=O)[C@@H](C)C#N)c1ccccc1 736676816 VIONQZTUYCCZPZ-ZFWWWQNUSA-N 258.365 3.584 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(F)c(C)c1)c1ccncc1 734455248 CHAHTDIVEZJOQS-MRXNPFEDSA-N 284.334 3.576 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1cc2ccccc2o1 834995677 JZRIDZKCEHXTAH-SECBINFHSA-N 270.254 3.697 30 20 CHED Cn1ccnc1C(=O)/C=C/c1ccc(-c2ccccc2)cc1 735790952 GSIITMVPYXNNDI-FMIVXFBMSA-N 288.350 3.983 30 20 CHED Fc1ccc(F)c(CNN=C/C=C\c2ccccc2)c1 915979731 ZTVNQJHEZLCKNL-WJFQHQKPSA-N 272.298 3.754 30 20 CHED C=CCc1ccccc1OCC[C@H]1CCCCN1C 915667296 MRAJXYCVMZHYEP-MRXNPFEDSA-N 259.393 3.668 30 20 CHED N#Cc1cc(Cl)cc(OCc2cc(C3CC3)no2)c1 594897336 KYBFEFAVYUIPPM-UHFFFAOYSA-N 274.707 3.656 30 20 CHED CSc1ccccc1NC(=O)NCc1ccc(C#N)cc1 916409789 INQHFWPLSIHRPQ-UHFFFAOYSA-N 297.383 3.602 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc(C#N)cc2)o1 915961279 DDPZYTTZNXEINI-IAQYHMDHSA-N 265.316 3.721 30 20 CHED CC(C)C[C@H]1CCN(c2nc(C#N)c(Cl)s2)C1 596145320 PCRHHYMYCSFBCE-SECBINFHSA-N 269.801 3.541 30 20 CHED C=CCN(C(=O)c1ccc2ccccc2c1)C(C)C 914683061 CYGOLOHMSFTTJO-UHFFFAOYSA-N 253.345 3.876 30 20 CHED C=CCC1(NCCCC2(C#N)CCOCC2)CCCCC1 599608815 BCUJMWOMBWCLSZ-UHFFFAOYSA-N 290.451 3.956 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)OCC(=O)c1ccc(C#N)cc1 748260281 ZXFRPOXWTOAYPQ-BBRMVZONSA-N 299.370 3.501 30 20 CHED N#CCN(C(=O)CCC(F)(F)F)c1ccc(Cl)cc1 592651602 WUMNFSLBNNNIAJ-UHFFFAOYSA-N 290.672 3.539 30 20 CHED Cc1nnc(Sc2nc(C(C)C)cs2)c(C#N)c1C 593497011 ZHKQJWVDYBRQAI-UHFFFAOYSA-N 290.417 3.696 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 675386270 WAGVPQDLBSQIPH-KGLIPLIRSA-N 298.390 3.579 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C(=O)O)c1ccccc1 840996043 HUZYPPCBIZHNTM-HOCLYGCPSA-N 275.392 3.927 30 20 CHED C=CCCOC(=O)c1cc(-c2ccccc2)ns1 747107057 JVQAGCXZRZRBJN-UHFFFAOYSA-N 259.330 3.543 30 20 CHED CCCN(CC#Cc1ccc(F)cc1)Cc1ccccc1O 747618677 BGIKZCZGIBPAOP-UHFFFAOYSA-N 297.373 3.795 30 20 CHED N#C[C@@H](C(=O)C[C@@H]1C=CCCC1)c1nc(C2CC2)cs1 842946862 XRUGAZGGNYANQM-YPMHNXCESA-N 286.400 3.943 30 20 CHED CCCCCCCC(=O)NCC(C)(C)N1CCCCC1 915053177 CNIRYFVCIQUOPH-UHFFFAOYSA-N 282.472 3.728 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CCC(F)(F)C1)c1nc(C2CC2)cs1 842945392 QGQURUKXUDLWHN-ZJUUUORDSA-N 296.342 3.632 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1c(C)cncc1C 675445027 WHZZKSPTCCICJB-UHFFFAOYSA-N 294.398 3.569 30 20 CHED N#Cc1ccc(/C=C2/Oc3ccc(Cl)cc3C2=O)s1 749000023 ZQYWZZIIDANMNJ-AWNIVKPZSA-N 287.727 3.889 30 20 CHED CCN(C)c1ccc(/C=C2/Cc3cccc(C)c3C2=O)cn1 841488753 ZCTSMDJNVXFLJD-YBEGLDIGSA-N 292.382 3.669 30 20 CHED C=C(C)CN(C)c1nnc(C(C)C)n1Cc1cccs1 670317266 QFXMIPWMEMTHNV-UHFFFAOYSA-N 290.436 3.524 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccs1 593948327 JQNUNJGWXZXFRL-CHWSQXEVSA-N 298.411 3.676 30 20 CHED C=CCNC(=S)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 747667403 JSALDPDQWRRWFF-NEPJUHHUSA-N 296.867 3.824 30 20 CHED Cc1nn(-c2ccccc2)c(Cl)c1CON=C1CCC1 749797886 ZAIPTECSTWLLCY-UHFFFAOYSA-N 289.766 3.891 30 20 CHED C[C@H]1/C(=C/c2ccnn2CC2CC2)C(=O)c2ccccc21 849249790 LVCNZYRBVPNRLQ-HJPCULJESA-N 278.355 3.677 30 20 CHED CC[C@@H](OC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(F)(F)F 847721421 HHOYPEBIXGHQBJ-GXFFZTMASA-N 299.292 3.621 30 20 CHED CC(C)[C@@H](NCCc1ccc(C#N)cc1)c1ccc(F)cn1 595056287 UJNFLEDHDWPMRN-GOSISDBHSA-N 297.377 3.622 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1CCc2ccc(F)cc21 596124519 XNORPWRZJNFRFH-HNNXBMFYSA-N 267.307 3.500 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1c[nH]c2cc(F)ccc12 749450548 AJBJLSNFBATQNP-WAYWQWQTSA-N 284.290 3.808 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@@H](C2CCC2)C1)c1ccncc1 840301483 VBYBXHZRRJCAKP-SJORKVTESA-N 299.418 3.530 30 20 CHED CCOc1cccc(/C=N\[C@H](C)c2cccc(OC)c2)c1O 917558696 VOSUIXFKOSBCPZ-CQLSMYGBSA-N 299.370 3.980 30 20 CHED N#CC[C@@H]1CCCN(c2ncc(-c3ccccc3)s2)C1 596330619 UVWJDDURMAADSQ-ZDUSSCGKSA-N 283.400 3.940 30 20 CHED Cc1cc(/C=C2/CCc3c(O)cccc3C2=O)cc(C)c1O 742435815 ZBAZXNGXWADILX-UVTDQMKNSA-N 294.350 3.927 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](Nc1c(C#N)cnn1C)CCC2 596180772 URYRSRRPBKEIIA-KRWDZBQOSA-N 294.402 3.905 30 20 CHED C[C@@H](OC(=O)[C@H]1CCSc2ccccc21)C(C)(C)C#N 842325882 WHXUTHLTGTVRGC-YPMHNXCESA-N 289.400 3.747 30 20 CHED CC[C@H](CC(F)F)CN(C#N)c1ccc(F)c(C#N)c1 594895145 HYJLPOMYOHTVOL-SNVBAGLBSA-N 281.281 3.666 30 20 CHED CCCCCCCCC(=O)N1C[C@H]2[C@@H](C1)C2(C)C 741979602 PFXXROLLVRCDKF-OKILXGFUSA-N 251.414 3.851 30 20 CHED Cc1cnc(S[C@H](C#N)Cc2ccccc2)c(C)c1 594916324 HJPNOFMIUKKSER-HNNXBMFYSA-N 268.385 3.925 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(N2CCCCCC2)cc1 845102163 ZEFXMDLHFHYLPT-CQSZACIVSA-N 285.391 3.555 30 20 CHED C=C(Cl)C[S@](=O)Cc1cccc(OC(F)(F)F)c1 844652665 NKBQQYORWBOFKB-SFHVURJKSA-N 298.713 3.586 30 20 CHED COc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1F 921264342 RQKMZTAIHRMURJ-ZSOIEALJSA-N 282.314 3.965 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 841368419 JFDPBVFADDUWCZ-UUVHRRBISA-N 294.398 3.798 30 20 CHED CCCCCCCCNC(=O)c1cnc2onc(C)c2c1 754851011 RKDSGONVNSBLJN-UHFFFAOYSA-N 289.379 3.622 30 20 CHED Cc1ccc(F)c(C(=O)OCc2cc(F)ccc2C#N)c1 759364775 IRYXYRFEMYYPOS-UHFFFAOYSA-N 287.265 3.502 30 20 CHED O=C1/C(=C/c2ccc(O)c(F)c2)Oc2c(Cl)cccc21 755595135 XFMVMWUSPRWCPB-QPEQYQDCSA-N 290.677 3.801 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(N2CCCC2=O)cc1 925730878 XTMRASTURAVCSN-ZDUSSCGKSA-N 285.391 3.554 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](C)c1oc2ccccc2c1C 753102082 MSELGZYBTUOQJU-OLZOCXBDSA-N 284.359 3.513 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H]1c1ccccc1Cl 753259379 STEBRXCPZKZOAT-DOMZBBRYSA-N 290.794 3.598 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(-c2ccc(OC)cc2)cc1F 757003390 DCGGYSHONMIFJO-GFCCVEGCSA-N 299.345 3.806 30 20 CHED C#C[C@H](CC)NC(=O)Cc1cc2c(ccc3ccccc32)o1 754374625 ZTHABXKUHSDCFT-CQSZACIVSA-N 291.350 3.657 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cnc3c(C)cccn23)c1 757468606 SKHOKMPDMOVEMD-VURMDHGXSA-N 292.338 3.553 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@@H](C)CC(C)(C)C#N 851202336 HYUPOFIUWJHRON-CWRNSKLLSA-N 285.387 3.970 30 20 CHED C[C@H](CC(C)(C)C#N)NC1(Cc2ccccc2)CC1 926204926 CSNLEVWMRYBRLA-CQSZACIVSA-N 256.393 3.680 30 20 CHED CCCNc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1 926287743 KKSJAZGVBZWDOY-AWEZNQCLSA-N 273.424 3.926 30 20 CHED CCN(CCO)N=C(C)[C@H](C)c1ccc(CC(C)C)cc1 853367038 VALWBQLORKOFSK-HNNXBMFYSA-N 290.451 3.679 30 20 CHED C/C(=C/C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1cccs1 857599505 PFFGEBVYPCKJQS-XKROAPFSSA-N 288.416 3.740 30 20 CHED CCCC1(C(=O)O[C@@H](C)CC(C)(C)C#N)CCC1 851208756 CTCFCRKKABBCJO-LBPRGKRZSA-N 251.370 3.828 30 20 CHED Fc1ccccc1NN=C[C@@H]1CCOc2ccccc21 752159480 DELCXXDSCFXEOT-LBPRGKRZSA-N 270.307 3.790 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1F)c1ccc(O)cc1O 753717920 RPBHGMOECAJKMV-BHQIHCQQSA-N 292.693 3.786 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(CCC)cc1)OCC 755422123 QZVJLZGOFAWJGS-MRXNPFEDSA-N 275.392 3.949 30 20 CHED C=C[C@H](CC(=O)Oc1ccc(OC)cc1)c1ccccc1 759183130 FISYHGBAZMHRSN-CQSZACIVSA-N 282.339 3.961 30 20 CHED CCCCCCCCNC(=O)C1=C(C)OCCC1 756024069 ABXQQOSCKVVBDP-UHFFFAOYSA-N 253.386 3.548 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)Cc2c(F)cccc21 921263962 MGGYXAQEYDMYES-UXBLZVDNSA-N 274.241 3.926 30 20 CHED Cc1cc(C)cc(NN=Cc2cc(C)n(C)c2C)c1 754914063 NEXUOTWPSZSJEA-UHFFFAOYSA-N 255.365 3.705 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2ccc(CO)cc2)cc1 853294161 FXEBUGIUSQMCGK-OAHLLOKOSA-N 296.414 3.987 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Oc1ccc(Cl)cc1 759549953 OEDMBILESKLXLS-NSHDSACASA-N 268.740 3.617 30 20 CHED C#CC(C)(C)NC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 754647302 YNBZHABFJJPLSN-ZIAGYGMSSA-N 269.388 3.504 30 20 CHED CC(=NNc1nccc2sccc12)C1CCOCC1 755889532 FRPOWEUDFFSDOS-UHFFFAOYSA-N 275.377 3.511 30 20 CHED CCCCCCCCC(=O)N[C@H](CC)[C@H]1CCCO1 756105078 DTWDJFIPYRBTMM-HUUCEWRRSA-N 269.429 3.811 30 20 CHED COCc1cccc(/C=C2\Cc3c(OC)cccc3C2=O)c1 759652371 HZYKDTOAMMOUSW-XNTDXEJSSA-N 294.350 3.664 30 20 CHED CCOc1ccccc1COC(=O)c1ccc(CC#N)cc1 758695195 DYDLGSUOZOXYHW-UHFFFAOYSA-N 295.338 3.508 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(OC2CCCCC2)CC1 931211893 OSKFFFWBTSYGGO-HNNXBMFYSA-N 293.451 3.929 30 20 CHED C#C[C@@H](CC)NC(=O)C1(Sc2ccccc2)CCCC1 754674638 KLMZDXYTEFXHHJ-AWEZNQCLSA-N 287.428 3.620 30 20 CHED CCCCCCCCCCNC(=O)c1nnc(C)s1 758364300 WRBPNYUDLARYQN-UHFFFAOYSA-N 283.441 3.717 30 20 CHED CCON=Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl 767469005 JCLAHNGEWLZIIK-UHFFFAOYSA-N 291.782 3.821 30 20 CHED COc1ccccc1C=NOCc1ccc2ncccc2c1 769816128 XMNARSNGGYVJMD-UHFFFAOYSA-N 292.338 3.794 30 20 CHED C#CCCCN[C@H](CC)c1cc(Cl)ccc1OC 766223646 RNNFPIZMKCNFJB-CQSZACIVSA-N 265.784 3.803 30 20 CHED Fc1ccccc1CCNN=Cc1ccc(Cl)s1 764721352 FGJZTVDUVYIJIF-UHFFFAOYSA-N 282.771 3.707 30 20 CHED COc1cc(CON=Cc2ccc(C(C)C)cc2)ccn1 762458110 LUCHDHMNOZTPJA-UHFFFAOYSA-N 284.359 3.764 30 20 CHED Cc1nc2c(NCc3ccc(C#N)cc3F)cccc2o1 864014935 WNLZNFWCTCYYPT-UHFFFAOYSA-N 281.290 3.759 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 933903372 MXYCFFFVSRYLJP-CABCVRRESA-N 297.402 3.652 30 20 CHED C[C@H](/N=C/c1cccc(O)c1O)c1cccc(F)c1F 766670916 DCXHFIKIXAKMTK-ZBPACCJBSA-N 277.270 3.556 30 20 CHED CC(C)O[C@H]1CC(=NNc2cccc(C#N)c2)C1(C)C 764906006 VYCHIUNJLAINTL-HNNXBMFYSA-N 271.364 3.550 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc(C)cc1C 761885106 PUHCWSLTNHXEOD-UHFFFAOYSA-N 272.323 3.897 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H]1CCCc2nc(C)sc21 860541732 FXFMBASFDHSAQM-LBPRGKRZSA-N 292.404 3.702 30 20 CHED C=CCOc1ccc(CN(CC=C)C(C)C)cc1OC 768547941 UKUKBJVHHUWAII-UHFFFAOYSA-N 275.392 3.656 30 20 CHED CCn1cc(/C=C2\C(=O)c3ccccc3[C@@H]2C(C)C)cn1 766507733 XBIMSMTULXNOFY-STKCSNAVSA-N 280.371 3.923 30 20 CHED C#CCCN(Cc1cccs1)c1ccc2c(c1)OCCO2 764236770 YRXORJHZZCEVEQ-UHFFFAOYSA-N 299.395 3.549 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(-c2ccnn2C)ccc1C 879856794 RHFDOBQCJNSSNZ-UHFFFAOYSA-N 297.402 3.936 30 20 CHED CCS[C@H](C(=O)Nc1cc(C#N)c(F)cc1F)C(C)C 876346942 POLFLELPJPLRJF-ZDUSSCGKSA-N 298.358 3.553 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)cc1 871522299 YONZEYWNRQWMCD-IYBDPMFKSA-N 294.398 3.526 30 20 CHED C#CCOc1ccc(CNc2cc(F)c(OC)cc2C)cc1 775321025 LUXHYDSNOIOKQG-UHFFFAOYSA-N 299.345 3.767 30 20 CHED C[C@@H]1CC[C@H](OC(=O)Cc2ccccc2CC#N)[C@H](C)C1 776936864 RZZLZSUIRDXIBA-CPUCHLNUSA-N 285.387 3.663 30 20 CHED C=CC(C)(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 877908797 XDLWQOTWGYXPFP-UHFFFAOYSA-N 261.409 3.674 30 20 CHED Cc1ccc([C@H](C)C(=O)OCc2ccc(CC#N)cc2)o1 776114508 PVSLRCPLZLTUEF-ZDUSSCGKSA-N 283.327 3.501 30 20 CHED N#Cc1ccc(CCC(=O)O[C@@H](C#N)C2CCCCC2)cc1 776369462 NTWVTALGJWZIKY-KRWDZBQOSA-N 296.370 3.507 30 20 CHED Oc1cccc(/C=N\CC2(Cc3ccccc3)CC2)c1O 771835897 GQJDQLAIKAQNPU-UNOMPAQXSA-N 281.355 3.540 30 20 CHED COC(=O)c1cccc(NN=C(C)c2ccc(C)cc2)c1 779828059 RCWMNQQGZHZGNT-UHFFFAOYSA-N 282.343 3.618 30 20 CHED CCC(=NNc1ccc(C#N)cn1)C1CCCCC1 1119363337 OCGJELZKZPRTLA-UHFFFAOYSA-N 256.353 3.711 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 876167277 OTIJLJFQAMJAAG-GHMZBOCLSA-N 278.783 3.857 30 20 CHED CC(=NNc1nccnc1C(C)C)c1cc(F)cc(F)c1 773076933 BPGBPHCMYGUNPN-UHFFFAOYSA-N 290.317 3.714 30 20 CHED C=CC(C)(C)CC(=O)NCc1ncc(-c2ccccc2)o1 878208800 YDASCTQLWBPFAO-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C#CC(C)(C)NC(=O)Nc1cccc(N2CCCCCC2)c1 775519706 AWKNMIDUKLERDE-UHFFFAOYSA-N 299.418 3.600 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)[C@@H]1CCCOC1 779774120 BBJDFKGPIMPGQH-SNVBAGLBSA-N 270.735 3.694 30 20 CHED C#C[C@@H](C)NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 772976238 KNOQHFQIKLKFMN-PKVLTRFUSA-N 299.370 3.566 30 20 CHED C#CCCCCCC(=O)N(C)Cc1cccc(C)c1 779810162 XRIWXKOXCVGJNH-UHFFFAOYSA-N 257.377 3.537 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1c[nH]c2ccccc12 776354643 IOESREDIBMJVNM-UHFFFAOYSA-N 284.359 3.584 30 20 CHED C[C@H](C=NOC1CCOCC1)c1cccc(Cl)c1 774438479 RLXRAQLSUBXEFJ-LLVKDONJSA-N 267.756 3.625 30 20 CHED Fc1cccc(NN=C2CCCNc3ccccc32)c1 774374634 KTTMWHDMRVDWGY-UHFFFAOYSA-N 269.323 3.848 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1ccc(C)cn1 783874617 OVRPRYAXCZMRNG-UHFFFAOYSA-N 296.370 3.540 30 20 CHED C#CC[C@@H](OC(=O)[C@H](C)c1ccccc1C)c1ccccn1 1122695218 TZWYFIWZKCXCES-CRAIPNDOSA-N 293.366 3.801 30 20 CHED N#Cc1cc(Cl)ccc1N1CCc2ccc(F)cc2C1 301741216 KYWMSSBKSRATAP-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CC(C)(C)OCCCCON=Cc1ccc(F)cc1 788785747 VTAAUPQFPDFNLR-UHFFFAOYSA-N 267.344 3.772 30 20 CHED CC(C)(C)[C@@H]1CCN1C(=O)N[C@@H](CCC#N)c1ccccc1 1123529905 XMCJEPWDEIJZDY-HOTGVXAUSA-N 299.418 3.861 30 20 CHED Cc1cccc(C)c1C(=O)OCCCC(C)(C)C#N 783745026 OXSDZALHQHLUBQ-UHFFFAOYSA-N 259.349 3.790 30 20 CHED CC(C)(C)C1CCC(=NOC[C@H]2CCOC2)CC1 788036945 PTBFNLBPVIPOJS-UEWDXFNNSA-N 253.386 3.632 30 20 CHED CC[C@H](C#N)OC(=O)c1nc(C)sc1-c1ccccc1 781205408 JTYPXCBTJPNBQG-GFCCVEGCSA-N 286.356 3.578 30 20 CHED C=C1CC(c2noc(-c3occc3Br)n2)C1 896884090 VBQMWMBDDREGKG-UHFFFAOYSA-N 281.109 3.526 30 20 CHED CC(C)c1ccc(C=NOCC[C@H]2CCCO2)cc1 786738801 MYQCSCIFZKVMPD-MRXNPFEDSA-N 261.365 3.730 30 20 CHED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCF)cc1 1136218639 YGTPKCPQVOLYGW-MRXNPFEDSA-N 282.318 3.640 30 20 CHED O=C(/C=C/c1cccs1)c1cc(F)ccc1F 78280913 IGGHARAVQFTBSM-GQCTYLIASA-N 250.269 3.922 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccc(Cl)cc2)s1 782219609 BWIGFVDUUKODDD-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C=C1CCN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)CC1 895002052 BRKWGPZFWTTWPY-CYBMUJFWSA-N 286.366 3.564 30 20 CHED C(=NN[C@H]1CCCOC1)c1cc(-c2ccccc2)cs1 780260122 BBPINLLXZUVRTH-HNNXBMFYSA-N 286.400 3.518 30 20 CHED C#CCC1(C(=O)N[C@@H]2COc3ccc(C)cc32)CCCCC1 788233603 VOKVQAPXMNEKRJ-MRXNPFEDSA-N 297.398 3.519 30 20 CHED Cc1ccc(C#N)cc1OCCCCC(F)(F)F 507808403 NXRXESMPGIFDJM-UHFFFAOYSA-N 257.255 3.978 30 20 CHED COc1ccsc1/C=C\C(=O)c1cc(C)c(C)o1 799897253 NMOAPEYIWIEDRE-PLNGDYQASA-N 262.330 3.863 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cnn(C(C)C)c1C 793160434 ALPBQWWBVODFOP-UHFFFAOYSA-N 291.786 3.657 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)o1 796773497 BPTOYIZGMWSUHH-JHJVBQTASA-N 273.332 3.667 30 20 CHED CC(C)[C@H](C)SCCC(=O)Nc1cccc(C#N)c1 79082372 LTVSNEQGJIPVAJ-LBPRGKRZSA-N 276.405 3.665 30 20 CHED C[C@H]1CCC[C@@H](CCOC(=O)c2ccc(C#N)o2)C1 796148835 SNDIJUHEZWJUPH-RYUDHWBXSA-N 261.321 3.524 30 20 CHED Cc1oc(C(C)C)cc1C(=O)OCc1cccc(C#N)c1 796999553 GOLRHBNAFFJMQQ-UHFFFAOYSA-N 283.327 3.940 30 20 CHED C#CCN(C(=O)c1cccc(F)c1C)C1CCCCC1 688898298 ZVKTYWQYWGYKMX-UHFFFAOYSA-N 273.351 3.542 30 20 CHED COc1ccc(C(=O)/C=C\c2c(F)ccc(O)c2F)cc1 794925824 DOTIAYRTLRZRSS-VURMDHGXSA-N 290.265 3.575 30 20 CHED CC[C@H](C)CON=Cc1nc2ccc(Cl)cc2n1C 793159036 KQCKPVZNPCXTHY-JTQLQIEISA-N 279.771 3.623 30 20 CHED Cc1oc(C#N)cc1C(=O)OCC(C)(C)c1ccccc1 797945135 HBHPWQXCLMDJAX-UHFFFAOYSA-N 283.327 3.594 30 20 CHED COCc1ccc(C=NN[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)o1 794541832 ULXPSXXEFIPQNP-SRCQZFHVSA-N 290.407 3.564 30 20 CHED C=C(C)CNC(=S)Nc1cccc(-c2ncco2)c1C 793246364 USLWRCBOGCUPRF-UHFFFAOYSA-N 287.388 3.513 30 20 CHED Cc1nc2cc(C(=O)OCC(C)(C)CCC#N)ccc2o1 798878388 XGZUWURBODJREC-UHFFFAOYSA-N 286.331 3.623 30 20 CHED C#CCCCN1CCC[C@H]1c1nc2ccccc2s1 766896285 YSAGGSNEVIDSKW-AWEZNQCLSA-N 270.401 3.847 30 20 CHED CC(C)CC1(CNC(=O)C2(C#N)CCCC2)CCCC1 94817645 WBJDKWAMZOBEOT-UHFFFAOYSA-N 276.424 3.793 30 20 CHED CCCN(Cc1ccc(C)cc1)c1ccc(C#N)c(C)n1 1306997222 CKDHIALYQXNEPP-UHFFFAOYSA-N 279.387 3.987 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC1(CC#N)CC1 1307804165 ZQWPKONCWTVPEX-INMHGKMJSA-N 268.404 3.947 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)CC#Cc1ccccc1 1319349021 YMJZHCUWISMMDG-UHFFFAOYSA-N 285.431 3.959 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCCC[C@H]2F)c1C#N 1162508789 SYBYOGLGLWZMPJ-VXGBXAGGSA-N 267.735 3.608 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCC1(C#N)CCC1 1312883372 IZUWPHDTZSZRGB-KBPBESRZSA-N 291.439 3.584 30 20 CHED Cc1nc(NCCC#N)c2c(-c3ccccc3)csc2n1 1322175473 TULGLAQSTHPGGI-UHFFFAOYSA-N 294.383 3.992 30 20 CHED C#CCCCC(=O)O[C@@H]1CCSc2ccccc21 1320757532 ICXRWDBZVFPWKM-CYBMUJFWSA-N 260.358 3.570 30 20 CHED CC/C(C)=C(\C)c1nnc(COc2ccc(C#N)cc2)o1 1326962190 MCOMPFNDFBIJDF-VAWYXSNFSA-N 283.331 3.724 30 20 CHED CC(C)(NC(=O)c1cccc(CC#N)c1)C1CCCCC1 1251563400 FRMHJBHBCOXSTR-UHFFFAOYSA-N 284.403 3.841 30 20 CHED CC(C)(C)C#Cc1nnc(-c2cc3c(s2)CCC3)o1 1333089742 AQSQXKQKWDJSQT-UHFFFAOYSA-N 272.373 3.684 30 20 CHED C=C[C@@H]1CCCCN1c1ccc(-c2ccccc2OC)nn1 1339692513 POPKLSVWUOYPTE-CQSZACIVSA-N 295.386 3.697 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)c1ccc(C(=O)O)o1 1776180795 FOYFLZGUJKXVPH-CYBMUJFWSA-N 285.343 3.727 30 20 CHED CC1(C)CCC[C@@H](NCc2cccc(F)c2C#N)C1 1180942777 LMEUXSFFLQHOPM-CYBMUJFWSA-N 260.356 3.756 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)c(C)c1)C[C@@H](C)O2 1180633511 PHJRXPYDIAAADZ-OAHLLOKOSA-N 292.382 3.963 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 1338984950 WWBUTNFJIZLUOO-GOEBONIOSA-N 275.367 3.934 30 20 CHED C=CCn1cnnc1S[C@H](C)c1ncc(C(C)(C)C)o1 1252511354 LXTBPFGZHWHQGL-SNVBAGLBSA-N 292.408 3.603 30 20 CHED N#CC1(CNc2ncc(-c3ccccc3)s2)CCOCC1 1339887568 KDIOHAHWWDYFGS-UHFFFAOYSA-N 299.399 3.542 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N1CCC[C@@H]2CCC[C@H]21 1262958293 XFIXFMKIGRWFIM-GOEBONIOSA-N 298.434 3.667 30 20 CHED C=C(C)CCC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 1262675584 SVWJHKWPZPAHCL-INIZCTEOSA-N 257.377 3.952 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1csc(C(F)(F)F)n1 1344836540 KXYCRXJQROLJCH-UHFFFAOYSA-N 293.310 3.807 30 20 CHED C[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(F)c1 1344822988 ASESZAHYCHHVCL-LOWVWBTDSA-N 293.313 3.694 30 20 CHED CC(C)(CCC#N)COC(=O)CCc1cccnc1Cl 1345825519 VXGTZBLDRLKJOH-UHFFFAOYSA-N 294.782 3.541 30 20 CHED C#CCCCCCC(=O)NC1(c2ccccc2OC)CCC1 1342009661 PFHKLMGEQDFXKV-UHFFFAOYSA-N 299.414 3.774 30 20 CHED C=C1CCC(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)CC1 1350138148 JNPOGSAABBRLMT-AAEUAGOBSA-N 289.341 3.922 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2ncsc2c1 1353906269 SWJJVVGQKKMLSB-CYBMUJFWSA-N 286.400 3.867 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1cc(C#N)ccc1F 1289323467 TXMCABLETSNBTO-UHFFFAOYSA-N 296.345 3.586 30 20 CHED C[C@H](NCc1cc(F)ccc1F)c1cccc(C#N)c1 111405191 IVLYDTVWOBVPMN-NSHDSACASA-N 272.298 3.687 30 20 CHED CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CC1(C)C 1458448040 VTZSUKHNLRZRKZ-SFYZADRCSA-N 269.801 3.905 30 20 CHED CCCOc1cccc(NC(=O)c2cc(C#N)ccc2F)c1 1533464826 XRWFZANPFPTTKL-UHFFFAOYSA-N 298.317 3.738 30 20 CHED CCCCCCCOC(=O)c1cscc1C(=O)O 1609968372 CZFYHUKNHPFQPT-UHFFFAOYSA-N 270.350 3.574 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1ccc(F)c(C)c1 1462625405 DYSHQVOBTUBQOF-UHFFFAOYSA-N 282.318 3.673 30 20 CHED Cc1c(F)cc(C(=O)O)cc1O[C@@H](C)c1ccc(C#N)cc1 1600019466 UZDIZDQZBNCPME-NSHDSACASA-N 299.301 3.844 30 20 CHED CCCC1(CNC(=O)Nc2ccc(F)cc2C#N)CCC1 1476231518 DETPEXWFWSRAFX-UHFFFAOYSA-N 289.354 3.789 30 20 CHED N#CCOc1cccc(NCc2ccc(F)cc2Cl)c1 227114142 GOFSQWWQYOKZLJ-UHFFFAOYSA-N 290.725 3.994 30 20 CHED Cc1cc(C(F)(F)F)nc(Nc2cccc(CC#N)c2)n1 1612391712 NTJPYZGTVWDQDW-UHFFFAOYSA-N 292.264 3.614 30 20 CHED CN(Cc1cc(Br)ccc1F)CC(C)(C)C#N 258835068 BPYABTZEMJLEBI-UHFFFAOYSA-N 299.187 3.570 30 20 CHED CC[C@@H]1C[C@H]1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1559554577 GFRCTFMJKNHFTI-LAVFITLUSA-N 268.404 3.804 30 20 CHED Cc1cc(F)cc(NCc2cccc(C#N)c2F)c1 230055349 STJHQGJWTDPYSN-UHFFFAOYSA-N 258.271 3.757 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@@H](C2CCCCC2)C1 1647131067 XTPRJTBLVDXUER-QGZVFWFLSA-N 298.430 3.969 30 20 CHED Cc1cc(=N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c(C#N)c[nH]1 1651820303 ZMBGROOXDUOAIS-PBHICJAKSA-N 295.361 3.571 30 20 CHED C=CC[C@H](Sc1cc(Cl)ccc1F)C(=O)O 1588759625 XWZJGIWYHULQCK-VIFPVBQESA-N 260.717 3.601 30 20 CHED C=C(Br)CNCc1c(C)cc(C)cc1C 122713677 MWEBIUJJJAGNKA-UHFFFAOYSA-N 268.198 3.610 30 20 CHED C[C@H](CSC(F)(F)F)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1583566569 XAHQTLYMMAXIMB-OPRDCNLKSA-N 295.326 3.501 30 20 CHED C=C(Cl)CNCc1cc(OC)c2ccccc2c1 1656579065 KUTFVPGMGJOYLZ-UHFFFAOYSA-N 261.752 3.691 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1ccc(C#N)cc1OC 1584377551 PNHIIOZANARWBA-UHFFFAOYSA-N 298.317 3.521 30 20 CHED N#CCc1ccc(NCc2cc3cnccc3o2)cc1 1656120219 LBOYBAUCBUBQOQ-UHFFFAOYSA-N 263.300 3.506 30 20 CHED O=C(O)c1ccc(C=NNc2cccc(F)c2Cl)cc1 1776093341 LICSUOGCBPAMJG-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=CCCC1(C(=O)O)CCN(CC2CCCCC2)CC1 1776173174 MBWUGFQIMUFSCU-UHFFFAOYSA-N 279.424 3.700 30 20 CHED COC(=O)c1ccc(CSc2cccc(C#N)c2)s1 158763055 BXHUMMOKVOYZPR-UHFFFAOYSA-N 289.381 3.699 30 20 CHED C=CCC[C@H](NCc1cc(C)on1)c1ccccc1 159931818 BCYFMWGHJONIPF-INIZCTEOSA-N 256.349 3.780 30 20 CHED COc1cc(CN(CCC(C)C)C2CC2)ccc1C#N 234943110 LXXYSZCPYNEBNM-UHFFFAOYSA-N 272.392 3.577 30 20 CHED CCCCCCCCCCC(=O)N[C@@H]1CCN[C@H](C)C1 834678620 YVBQIOHIBITIGB-HZPDHXFCSA-N 282.472 3.774 30 20 CHED Cc1cc(C#N)ccc1NCCCOC1CCCC1 846747456 KEKFXGHKRXGVAY-UHFFFAOYSA-N 258.365 3.628 30 20 CHED CC(C)(C#N)CNC1CCC(c2ccccc2)CC1 168925659 KLJGMUNBUYNTDN-UHFFFAOYSA-N 256.393 3.852 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCCOCC1 158142920 QTDSBUMFNDUGCS-GFCCVEGCSA-N 284.281 3.558 30 20 CHED N#Cc1ccc(CNCc2c(F)cccc2Cl)cc1 37505866 DXUFANVQVZFWOC-UHFFFAOYSA-N 274.726 3.641 30 20 CHED CC[C@@H](CNCc1ccc(C#N)cc1)CC(F)(F)F 402674823 YBTSVMKRHDNADO-LLVKDONJSA-N 270.298 3.626 30 20 CHED Cc1ccc(CCNc2cccc(Cl)c2C#N)o1 603629384 JFTSDDBPTGDPOZ-UHFFFAOYSA-N 260.724 3.768 30 20 CHED COc1ccc(C#N)cc1CSCCCSC 320312597 FYARHIYGBBCLLH-UHFFFAOYSA-N 267.419 3.553 30 20 CHED CC1(C)CCCN(Cc2cscc2Cl)[C@H]1C#N 618614186 WGDKYEFHTYOGPO-LBPRGKRZSA-N 268.813 3.916 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@@H](C(C)(C)C)C1 529226926 GVTMXGVRIXTFHC-CYBMUJFWSA-N 264.413 3.601 30 20 CHED N#Cc1cccc(CCNCc2ccc(Cl)c(F)c2)c1 466411908 IIVWMFHNHKLPDW-UHFFFAOYSA-N 288.753 3.683 30 20 CHED Cc1ccc(NC(=O)N2CCC(CCC#N)CC2)cc1 335384594 LDANTGQVIURISJ-UHFFFAOYSA-N 271.364 3.543 30 20 CHED C[C@@]1(F)CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 361703880 AWFKWBHESBZYRD-GFCCVEGCSA-N 272.245 3.515 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1 488845793 ZIFSTLCLZSTNON-CYBMUJFWSA-N 294.192 3.630 30 20 CHED CC[C@H](C)CCNc1nc(C(F)(F)F)ccc1C#N 696230685 RMKQJBXUIXEOHX-VIFPVBQESA-N 271.286 3.820 30 20 CHED Cc1nc(N2CC(C)(C)[C@@H]3CCC[C@H]32)c(Cl)cc1C#N 393463316 KSUHZUCNKIFIDO-TZMCWYRMSA-N 289.810 3.930 30 20 CHED CC(=NOCc1ccccc1)c1coc(C(C)C)n1 799476410 GYUZLOBLXVJGAP-UHFFFAOYSA-N 258.321 3.739 30 20 CHED C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 7383981 ZASPWLLPABODNX-LLVKDONJSA-N 299.761 3.651 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 51952887 SFPLNGITOVNRTB-UHFFFAOYSA-N 279.343 3.503 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)Nc1cccc(C#N)c1)C1CC1 109846746 HWXGCNONEIHKHI-OLZOCXBDSA-N 285.391 3.989 30 20 CHED COc1ccc(C(C)(C)CNCc2ccc(C#N)cc2)cc1 105463313 TVNVFKUAHGONPV-UHFFFAOYSA-N 294.398 3.634 30 20 CHED C=C(C)COC(=O)/C=C/c1cnc(C(C)(C)C)s1 174021720 YYQUEATXKOOQNL-VOTSOKGWSA-N 265.378 3.573 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 174717855 UUFVTIBCJBTBGH-LBPRGKRZSA-N 295.427 3.905 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 179640855 LILALAZVMTVZIR-YOEHRIQHSA-N 284.403 3.694 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C(\C)C1CC1 55206983 FLNQCSSOODTWJH-SDNWHVSQSA-N 282.387 3.653 30 20 CHED Cc1ccccc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 110013812 GRHVZNWIUDEQRP-LJQANCHMSA-N 292.382 3.640 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2sccc2C)c1 103028824 SJPBHGVLJRZNSG-UHFFFAOYSA-N 269.369 3.705 30 20 CHED C=CCCCC(=O)NCc1cccc(CN(CC)CC)c1 175352937 JXZHHSHMOLYYBR-UHFFFAOYSA-N 288.435 3.501 30 20 CHED C[C@@H](C/N=C/c1cc2ccccc2nc1O)c1nccs1 182168961 HVLHUBBEDBTWDT-MUOOZZNISA-N 297.383 3.620 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(C)cccc1SC 184967453 URXIEFKYTXMSCK-LLVKDONJSA-N 264.394 3.803 30 20 CHED CC(C)N(CCC(=O)Nc1ccc(C#N)cc1)C1CCCC1 68449284 GAAHTLCDBWPGRQ-UHFFFAOYSA-N 299.418 3.540 30 20 CHED C=CCOc1ccc(CN(C(C)C)C2CC2)cc1OC 179485163 OVDMJMHWHLMHSK-UHFFFAOYSA-N 275.392 3.633 30 20 CHED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC#N 119448088 GTGCDTCVDFNAQR-LBPRGKRZSA-N 271.389 3.635 30 20 CHED Cc1cc(CCCC(=O)N[C@@](C)(C#N)C(C)C)c(C)s1 177631999 SDAHZYBDVVGHGP-INIZCTEOSA-N 292.448 3.742 30 20 CHED C=C(Br)COc1c(F)cccc1Cl 307509088 SPAGBGIKWROFQC-UHFFFAOYSA-N 265.509 3.767 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(C(F)F)c2)C1 172310666 DWXAYMGHSJXUBC-ZBEGNZNMSA-N 292.329 3.826 30 20 CHED C=C(Br)CN[C@H](C)CCc1ccc(OC)cc1 125047247 YNTZTZIZSOXUFN-GFCCVEGCSA-N 298.224 3.515 30 20 CHED CC(C)(C#N)CCCN1CCc2c(F)cc(F)cc2C1 120482177 HAKDNNQTXYACNI-UHFFFAOYSA-N 278.346 3.653 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(F)c(C#N)c1 176968269 JRFFCECSEOOKOW-UHFFFAOYSA-N 295.317 3.580 30 20 CHED Cc1cccc2nc(CNc3cc(Cl)ccc3C#N)cn12 301266344 HYXCOTOCTJDUOZ-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=CCC[C@H](C)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 321937603 TZWJOPZFCOMMBU-KKUMJFAQSA-N 296.455 3.767 30 20 CHED Cc1cc(C#N)ccc1CN(C)C[C@H](C)c1nccs1 186326925 MJZFLLXIWWNEPR-ZDUSSCGKSA-N 285.416 3.559 30 20 CHED CC[C@@H](C#N)Sc1nccn1-c1cccc(Cl)c1 127248557 CDESUOCGJKNVEX-LBPRGKRZSA-N 277.780 3.920 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(CCCN(C)C)CC1 187702859 WVTWLIRFPGEXRD-INIZCTEOSA-N 299.462 3.673 30 20 CHED CC(C)Oc1ccccc1CC(=O)Nc1ccccc1C#N 76708885 KCRRJZFGAOIHNY-UHFFFAOYSA-N 294.354 3.527 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@H](CC)CCCC 217420567 OPOQKJRPPFDQCK-CQSZACIVSA-N 254.418 3.810 30 20 CHED Cc1noc(C)c1[C@H](C)CNc1ccc(C#N)cc1F 129437155 DWYOPZLCMKPVFC-SECBINFHSA-N 273.311 3.518 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 415631566 QFMUSGLISGPBIY-QLFBSQMISA-N 290.794 3.594 30 20 CHED CS[C@H]1CC[C@H](Nc2ccc(Cl)cc2C#N)C1 78477229 HIEZKPOZGZLGLP-RYUDHWBXSA-N 266.797 3.908 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(Cl)nc(Cl)c1 37975115 FDQPCFYETRGOPI-UHFFFAOYSA-N 298.154 3.574 30 20 CHED Cc1cnc([C@@H](NCc2ccc(C#N)cc2C)C2CC2)s1 186328311 LUESSGPDWGELQA-INIZCTEOSA-N 297.427 3.873 30 20 CHED C[C@@H]1CCC[C@H](Cn2cc(C#N)c(=O)c3ccccc32)C1 185529247 RMGSBEAWUANVPN-KGLIPLIRSA-N 280.371 3.699 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1cccc2[nH]ccc12 507176712 YZBVQNPBMBOUFK-UHFFFAOYSA-N 270.376 3.729 30 20 CHED CCCCCCCCC(=O)Nc1ccc(NC(N)=O)cc1 127858015 KPOZRJRCQNQBRE-UHFFFAOYSA-N 291.395 3.866 30 20 CHED C=CCC(CC=C)C(=O)NCc1cnccc1C(C)(C)C 412573232 UKIFOUQKVBQDLT-UHFFFAOYSA-N 286.419 3.764 30 20 CHED CC[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccncc1 127372094 NGJKYDWOYJUTGZ-XBMUEBEBSA-N 291.398 3.746 30 20 CHED COc1ccc(C#N)cc1NC1CCC2(CC1)CC2 488588207 KBAJZOWFZLIHDX-UHFFFAOYSA-N 256.349 3.702 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)Cc1cccc(Cl)c1 125248932 WGCIXTFTWOIFKZ-CYBMUJFWSA-N 295.810 3.670 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(F)c2ccccc12 315320521 BKTFKSLYBWJZIU-UHFFFAOYSA-N 284.334 3.649 30 20 CHED CCN(C(=O)C[C@@H]1CCC[C@H]1C)c1ccc(C#N)cc1 186830031 NXCGHZQDLXWMJA-HIFRSBDPSA-N 270.376 3.737 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2ccc(F)c(F)c2)cc1 182667008 JLIFQENVEMOSTN-LLVKDONJSA-N 288.297 3.868 30 20 CHED C=CC1CCN(C(=O)[C@H]2CC(C)(C)Oc3ccccc32)CC1 412102111 WNQSQXXYFOKVON-INIZCTEOSA-N 299.414 3.756 30 20 CHED C=CCN(CCc1ccccc1)Cc1cncc(C)c1 189810694 PPJOSWKZANAWDR-UHFFFAOYSA-N 266.388 3.621 30 20 CHED C=CCCCC(=O)NCc1c(C)oc2ccccc12 184061787 GPHWJYCSZMPSJJ-UHFFFAOYSA-N 257.333 3.714 30 20 CHED CC1CCC(N(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 47051867 HVXOAVPWFCZWQH-UUCFBXCCSA-N 299.418 3.839 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1ccc(C#N)c(C#N)c1 225809123 RWNMSWLSKHUIJY-UHFFFAOYSA-N 295.729 3.644 30 20 CHED C[C@@]1(/C(O)=N/CCc2cc3ccccc3o2)CCCOC1 329702896 IKPRLZWQFWQFQG-QGZVFWFLSA-N 287.359 3.749 30 20 CHED C=CCCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 505507486 RWPZJXWDHGYDGB-NSHDSACASA-N 283.158 3.640 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2ccc3c(c2)C(=O)CCC3)CCC1=O 328952809 NXUJKONMLDWOPP-WCQYABFASA-N 299.370 3.799 30 20 CHED C[C@@H](CCC1CC1)/N=C(/O)c1cc(O)nc(C2CC2)c1 329942610 CYEHBXRIFXZCAA-JTQLQIEISA-N 274.364 3.548 30 20 CHED COCCC1(CNc2ccc(C(F)(F)F)cc2C#N)CC1 225369633 BSPKIRMSYONIBP-UHFFFAOYSA-N 298.308 3.806 30 20 CHED N#Cc1ccc(OCc2ccc3ncccc3c2)cc1F 133626038 DKZUSVOIGAJZCL-UHFFFAOYSA-N 278.286 3.825 30 20 CHED O/C(=N/[C@@H]1CC[C@@H](F)C1)Nc1nc(C2CCC2)cs1 329229103 CJEPKPJBYLYENJ-NXEZZACHSA-N 283.372 3.627 30 20 CHED C[C@@H]1C[C@@H](/C(O)=N/CCOC2CCCCCC2)CCC1=O 328939330 HBZMAXIHTZIDGV-KGLIPLIRSA-N 295.423 3.688 30 20 CHED CC(C)c1ccc(CN2CCC[C@](C)(C#N)C2)cc1 612166168 BRNGQDUZRFKSGQ-QGZVFWFLSA-N 256.393 3.936 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCC#Cc1ccc(F)cc1 429680634 IJNCPOUPBOQOGB-DLBZAZTESA-N 291.435 3.831 30 20 CHED O=C(O)C1(C/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1 329946655 YAXZRNRONCUJIA-BFHYXJOUSA-N 293.407 3.947 30 20 CHED CCN(CC)C(=S)SCc1cc(F)ccc1C#N 130008908 NWRKKFURYONCCT-UHFFFAOYSA-N 282.409 3.557 30 20 CHED Cc1cc(Sc2nc(C3CC3)ns2)ccc1C#N 425278580 GURDLWBUHZDIBE-UHFFFAOYSA-N 273.386 3.747 30 20 CHED C=CCN(CCC#N)Cc1ccccc1Oc1cccnc1 428842396 FZJONXSDJQGIKT-UHFFFAOYSA-N 293.370 3.776 30 20 CHED CC(C)(CCC#N)CNCC(C)(C)c1cccs1 135186244 NHGIWQYFWDTLJZ-UHFFFAOYSA-N 264.438 3.945 30 20 CHED C[C@@H]1CCC[C@@H](C)C1/N=C(/O)Cc1ccc2c[nH]nc2c1 329299932 VHRIYFDMIORECQ-VXGBXAGGSA-N 285.391 3.887 30 20 CHED CCc1cccc(CC)c1NC(=O)Cc1ccc(C#N)cc1 194707875 DYXUJUNWTIRXJU-UHFFFAOYSA-N 292.382 3.864 30 20 CHED N#Cc1ccn(Cc2ccc(Cl)c3cccnc23)c1 339198227 UWQSWHIQVGMKNE-UHFFFAOYSA-N 267.719 3.610 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCCc1ccccc1 190573305 XQYPPROFYFZQOR-QGZVFWFLSA-N 259.393 3.680 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(C#N)c(F)c2)C1 334156863 ZUQOPLCOWUGCJK-FZKQIMNGSA-N 295.361 3.675 30 20 CHED COc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1OC(C)C 193295198 BXDLNWBULADRJG-KBPBESRZSA-N 288.391 3.977 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OCC)c(OCC)c1 337092988 NAHISCXPDXUQRY-AWEZNQCLSA-N 291.391 3.569 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)[nH]c2C)ccc1C1CC1 334660887 JTCGLDAREZVJGF-UHFFFAOYSA-N 279.343 3.633 30 20 CHED N#Cc1cc(NCc2cc(F)cc3cccnc23)ccc1F 191842871 VHHGENWOXCZQOY-UHFFFAOYSA-N 295.292 3.997 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCC(F)(F)C1 335074877 GWJZQKGEMOFAPY-FZMZJTMJSA-N 292.329 3.513 30 20 CHED CC1CCC(N(/C(O)=N/CC2(CC#N)CC2)C2CC2)CC1 330348382 IQIHSULOWGJCFQ-UHFFFAOYSA-N 289.423 3.637 30 20 CHED C[C@@H](CCCC(F)(F)F)NC(=O)C1(C#N)CCCCC1 427753862 CMPHOXPTYDIQER-NSHDSACASA-N 290.329 3.698 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cnc(CC)s1 147354222 XSJGITCBMKRXDP-UHFFFAOYSA-N 292.429 3.595 30 20 CHED CC(C)CCCN1CCCN(Cc2ccc(C#N)cc2)CC1 428956347 PXDJWGVHBIEUCW-UHFFFAOYSA-N 299.462 3.502 30 20 CHED C[C@@H](Oc1cc(F)ccc1F)c1cccc(C#N)c1 194644002 MRQMLPLZDRIVGY-SNVBAGLBSA-N 259.255 3.976 30 20 CHED Cc1cncc(CNc2ccc(C#N)c(Cl)c2)c1 230306605 MVKJDJUWFSRZEO-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cn1cc(CN2CCCCC[C@@H]2c2ccco2)cc1C#N 191368758 VMFGPMODYWMQAI-MRXNPFEDSA-N 283.375 3.607 30 20 CHED C=CCC[C@H](C)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 382503695 LVQUUCUJAWBMIH-SOUVJXGZSA-N 296.455 3.624 30 20 CHED N#C[C@@H]1CC[C@@H](NC2(c3ccc(Cl)cc3)CC2)C1 336170912 LGJXSUBMXASZDJ-BXUZGUMPSA-N 260.768 3.611 30 20 CHED CC(C)c1ccc(N/C(O)=N/C[C@@]2(C)CCOC2)cc1 330758265 JFOVZAUODZSGRY-MRXNPFEDSA-N 276.380 3.563 30 20 CHED N#Cc1ccc(N2CC=C(c3ccc(F)cc3)CC2)cc1 514726840 KTMXDNXOZYKMKQ-UHFFFAOYSA-N 278.330 3.991 30 20 CHED Cc1nc(N(C)[C@@H](C)c2cccs2)ccc1C#N 291647513 NHCZJXBYOZWHFE-NSHDSACASA-N 257.362 3.521 30 20 CHED CC(C)Oc1cc(/C(O)=N/[C@@]2(C)CC=CCC2)ccn1 331361298 YWAYLOXXYDURDE-INIZCTEOSA-N 274.364 3.672 30 20 CHED CC(C)(C(=O)NCC#Cc1cccc(F)c1)C1CCCC1 513197248 OHSYRFCXBQWBGI-UHFFFAOYSA-N 287.378 3.510 30 20 CHED COCC[C@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)(C)C 510978677 MQIOVQFLZZMGRT-WBMJQRKESA-N 292.398 3.799 30 20 CHED CC1(C)[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]21 426451921 VYMRQZTYFJIQMI-HUUCEWRRSA-N 293.332 3.645 30 20 CHED CC1(C)C(O)=Nc2ccc(/C(O)=N/[C@H]3CC=CCC3)cc21 330207689 AMZRPPUABVONRU-LBPRGKRZSA-N 284.359 3.979 30 20 CHED Cc1cccnc1/C(O)=N/C[C@@H]1CCCO[C@H]1C(C)(C)C 331137237 JAKCWKTZEJJFJJ-DZGCQCFKSA-N 290.407 3.536 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 331092928 JHRKKAVKQSLYFZ-IAGOWNOFSA-N 284.403 3.551 30 20 CHED C=CCN(C(=O)CSCC(F)(F)F)c1ccccc1 90468002 FOGSPKKUVXOZPM-UHFFFAOYSA-N 289.322 3.501 30 20 CHED C[C@H]1CCCC[C@@H]1CCNCc1ccc(C#N)cc1 512230597 UMGVHPJBQMVQLE-WMLDXEAASA-N 256.393 3.864 30 20 CHED Cc1c(C(=O)N[C@](C)(C#N)C(C)(C)C)cnc2ccccc12 336037092 YVHNIMLPPJNTFM-GOSISDBHSA-N 295.386 3.601 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc2ccccc2n1 339186075 OALBOEDKRWPFGR-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2ccccc2F)cc1 96305129 RMMALSXYPDECQR-FLIBITNWSA-N 283.302 3.680 30 20 CHED CC[C@@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1Cl 335584590 ZPNAOPBXJJSJSH-GFCCVEGCSA-N 291.782 3.812 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)cc(Cl)c1 231210675 DJKXVMZETQDDRR-UHFFFAOYSA-N 259.136 3.691 30 20 CHED CC(=O)Nc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1Cl 336251985 WJOBMXOHMXKMBO-NWDGAFQWSA-N 291.782 3.793 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(Cl)c(C)c1 435731135 IJPRVTGVLBXGFW-HOCLYGCPSA-N 279.811 3.719 30 20 CHED N#CCCCN[C@H]1CCSc2c(Cl)cccc21 346805836 JAMBOZNTVDAKOT-LBPRGKRZSA-N 266.797 3.770 30 20 CHED N#CCC1CCN(Cc2c(F)ccc(F)c2Cl)CC1 529544988 YETSEQOESMTQQU-UHFFFAOYSA-N 284.737 3.744 30 20 CHED Cc1nc2ccccn2c1COc1ccc(C#N)c(Cl)c1 438885225 SQDMEIFBOAGBEK-UHFFFAOYSA-N 297.745 3.747 30 20 CHED C=C(C)CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 349372615 NAMABWHVADWXRM-OAHLLOKOSA-N 288.439 3.608 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(F)cc1C#N 435161573 DUHRQZZIHGGQSO-GHMZBOCLSA-N 277.343 3.644 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2cnccc2C#N)CC1 345363567 CYPUFMSMNWTOLI-CABCVRRESA-N 299.418 3.678 30 20 CHED CC(C)(C)C1=CCN(Cc2ccc(F)cc2C#N)CC1 536170379 UEFPOPPBDHPDTK-UHFFFAOYSA-N 272.367 3.876 30 20 CHED CC[C@@H](C)CN(CC)Cc1ccc(O[C@H](C)C#N)cc1 245769626 RNXKEZFJCGDKCJ-HUUCEWRRSA-N 274.408 3.845 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCOc2ccc(OC)cc21 344093036 CHVMOBZDMIINRT-BBRMVZONSA-N 275.392 3.853 30 20 CHED CC[C@H](CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1)C(C)C 247587435 ZVMKJZICALPHKW-IIAWOOMASA-N 264.413 3.647 30 20 CHED C[C@H](CCC#N)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 340641964 JZIPMHNBEMKJRO-SECBINFHSA-N 292.795 3.909 30 20 CHED Cc1nnc(S[C@H](C#N)C2CC2)n1[C@H]1CCC[C@H](C)C1 601080211 OAMOQCSXAYDXAD-LEWSCRJBSA-N 290.436 3.732 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)[C@@H](C)C1CCCCC1 248557002 IJXCDKKUCISYMX-QLFBSQMISA-N 261.413 3.624 30 20 CHED C=CCC[C@H](NC[C@@H](O)Cc1ccccc1)c1ccccc1 341938730 FLZKTRJDWXGQTD-PMACEKPBSA-N 295.426 3.887 30 20 CHED CCc1csc([C@@H](C)Nc2snc(C)c2C#N)n1 601181031 CVQPOYANPJJUHO-MRVPVSSYSA-N 278.406 3.515 30 20 CHED CC(C)N(Cc1cccc(F)c1)C[C@@H](C)CCC#N 602440004 MSLFGYIQEDMYQX-AWEZNQCLSA-N 262.372 3.976 30 20 CHED COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(F)c1 344296375 LYEKACUHYTUNLG-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)C1CCC(C(C)C)CC1 432541316 IQKHPBDDIAXWCC-QQFBHYJXSA-N 281.440 3.641 30 20 CHED C=CCOc1cccc(N=Cc2ccccc2O)c1 255549632 GZBUZBHCQSTPAY-UHFFFAOYSA-N 253.301 3.708 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCCCCOC 438316319 OOQKXRBTUGWHIS-UHFFFAOYSA-N 278.392 3.928 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 345833678 PXOHMOFRJBCRJF-STQMWFEESA-N 287.407 3.880 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCO[C@@H](C2CC2)C1 449252917 UJWUOBKZGJJWET-CWRNSKLLSA-N 251.414 3.669 30 20 CHED COCc1cccc(/C=C2/Cc3ccc(OC)cc3C2=O)c1 255065449 ZKJVDHUCKSLRQT-SXGWCWSVSA-N 294.350 3.664 30 20 CHED C=CCCCC[C@H](C)NCc1cccc(N2CCC2=O)c1 449302920 LFBQXMAGLZMTEX-HNNXBMFYSA-N 286.419 3.648 30 20 CHED N#Cc1csc(CNCCCSc2ccccc2)c1 342863217 WMCDZCXTJIQVCC-UHFFFAOYSA-N 288.441 3.892 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccc(F)cc1)CC1CC1 602471326 CCSYQGBFQXAYBW-AWEZNQCLSA-N 274.383 3.978 30 20 CHED CC1(C)CCC[C@H](c2noc(-c3ccnc(C#N)c3)n2)C1 347239183 ONMWNRVOPQLMJR-LBPRGKRZSA-N 282.347 3.687 30 20 CHED C=CCC1(CNCc2ccc(OC)c(O)c2)CCCC1 449606400 QMFKFNULUQRGFM-UHFFFAOYSA-N 275.392 3.627 30 20 CHED Cc1ccccc1CCN(C)Cc1ccc(C#N)s1 449380196 MBHBSESCKKAHNP-UHFFFAOYSA-N 270.401 3.603 30 20 CHED Cc1c(Cl)cnc(N2CCC(F)(F)C[C@H]2C)c1C#N 528206178 HASKWDBHAXJAFD-MRVPVSSYSA-N 285.725 3.539 30 20 CHED C=CCCCCCn1cc(C)cc(Br)c1=O 447405484 PNBKIYZUWZUCHV-UHFFFAOYSA-N 284.197 3.666 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(CN3CCCCC3)c2)C1 442857736 NOWXIPYSCGTKJN-MAUKXSAKSA-N 283.419 3.777 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)Cc1cccc(C#N)n1 602665753 UPXDEKKVSFVTAN-GOSISDBHSA-N 295.386 3.545 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2c(C)c(C)ccc2s1 601793106 YVCGFIATAITJRI-OAHLLOKOSA-N 287.388 3.792 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)C1(C#N)CCCC1 600244950 FRPGCTKLSOXNCF-INIZCTEOSA-N 284.403 3.598 30 20 CHED N#Cc1ccsc1NC(=O)CCc1cc2ccccc2o1 356469548 DDFMHCVPSFSWFC-UHFFFAOYSA-N 296.351 3.937 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccccc1F 353416515 NEJISJXIPIDOGJ-UHFFFAOYSA-N 262.372 3.978 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)Nc1ccc(OC)cc1 539094777 KBQFOVIODNHGGM-LBPRGKRZSA-N 279.405 3.722 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC1Cc2ccccc2C1 358217224 DMFZVDBNYAPMEE-FQEVSTJZSA-N 288.394 3.693 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(NC2CCCC2)c1 449847923 CNRIKRUONXTTKI-SJKOYZFVSA-N 283.375 3.529 30 20 CHED C=CCc1cc(CN(CC)CC2CCC2)cc(OC)c1O 355616382 ZXNXCKFUHJTVCA-UHFFFAOYSA-N 289.419 3.751 30 20 CHED CCCC[C@H](COC)N[C@H](CC)c1ccc(C#N)cc1 447538222 BCAJIPSTRPKBAF-IAGOWNOFSA-N 274.408 3.804 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)c2ccc(Cl)c(C#N)c2)C1 537580238 BCYUHQLHWHJTJR-NWDGAFQWSA-N 290.794 3.862 30 20 CHED CSCc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 263861643 SYVMBFKWZYODIH-UHFFFAOYSA-N 288.416 3.962 30 20 CHED C=CC1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1 532965911 VPWGFQRJBLQGFR-UHFFFAOYSA-N 292.810 3.567 30 20 CHED CC[C@]1(C)CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 356435865 YCEAFDSUPCPXSQ-SJLPKXTDSA-N 284.403 3.723 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N[C@H](C#N)C1CCCCC1 530654224 CNQKJNHPHJLDAJ-FVQBIDKESA-N 276.424 3.791 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[C@H](C)C1 444135438 YZQVYFGQYKBHLX-ZFWWWQNUSA-N 290.382 3.712 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H]1Cc1ccccc1 353970900 GWIXLTDCUPJZND-MRXNPFEDSA-N 256.393 3.633 30 20 CHED CCc1cccc2c1OCC[C@H]2NCc1ccc(C#N)s1 267213057 RDIZJCUKRCXIMP-MRXNPFEDSA-N 298.411 3.796 30 20 CHED N#Cc1ccc(NC(=O)N(C2CCCCC2)C2CC2)cc1 610518715 GVWVZILYRDBPCQ-UHFFFAOYSA-N 283.375 3.887 30 20 CHED CC[C@H](C)NC(=O)[C@H](C)Sc1ccc(C#N)cc1Cl 269945802 HTFXFZCLDPLCRV-UWVGGRQHSA-N 296.823 3.607 30 20 CHED CC1(C)CCC(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 618732101 SHJXKPJLIWFEPM-QGZVFWFLSA-N 296.414 3.878 30 20 CHED C=CCC1(NC(=O)c2cn(C(C)(C)C)nc2C)CCCC1 619111098 PFEKEMZWFFWICP-UHFFFAOYSA-N 289.423 3.565 30 20 CHED CCC(CC)CN(CCC#N)c1nc2ccccc2o1 535088881 ZUQLEBYLCOLBLA-UHFFFAOYSA-N 271.364 3.984 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc(Cl)ccc1OCC 539062825 GIPXGCGSMPRLNU-ZDUSSCGKSA-N 297.826 3.982 30 20 CHED CC(C)C[C@H](NCc1ccnc(C#N)c1)c1ccccc1 611376619 ZRYKTYPBIFQXQQ-SFHVURJKSA-N 279.387 3.830 30 20 CHED C=CCCCCCN(C)CCOc1ccc(C#N)cc1 610079902 PEBXIGWJRITRRK-UHFFFAOYSA-N 272.392 3.615 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(Cl)c1)OCC 535882584 KLUFAZWRTSPZSL-ZDUSSCGKSA-N 267.756 3.650 30 20 CHED C=CCC[C@H](NC(=O)[C@H](OC)[C@H](C)CC)c1ccccc1 356519278 MIJWEFLNBKLKIA-HYVNUMGLSA-N 289.419 3.871 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccs1 618807344 YFPNGCAZHMVBSK-ABAIWWIYSA-N 268.385 3.958 30 20 CHED C=C(C)CCNC(=O)Nc1cnn(C(CC)CC)c1CC 455256419 BGURHIDRCMDOIC-UHFFFAOYSA-N 292.427 3.894 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC(F)F)cn1 455565998 XNVVXBUOTWENEI-SNVBAGLBSA-N 299.321 3.549 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1sc(C(C)C)nc1C 453360721 PQBLIYAYVPRFQO-AAEUAGOBSA-N 282.453 3.553 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@H]1CCCS1 362401926 JUBMFCMRORPORO-GFCCVEGCSA-N 293.457 3.590 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC1(COC)CCC1 361296220 MZCXJFILXXSGBN-UHFFFAOYSA-N 286.419 3.587 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(CC#N)c2)C1 456738811 UXLVQVQPAJDLOY-DZGCQCFKSA-N 270.376 3.908 30 20 CHED CCCOc1cccc(NC(=O)NCC(C)(C)CC#N)c1 459240045 VGLQOQDLHPLENQ-UHFFFAOYSA-N 289.379 3.537 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)CCc1cccc(F)c1 452772581 GBULLURQKXGAES-CYBMUJFWSA-N 277.383 3.723 30 20 CHED CC(C)CCOc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1 450007947 DTMHZGBHBJXPLT-GUYCJALGSA-N 286.375 3.600 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCc1ccc(Cl)s1 272424643 OPOVIAXGUZYZTN-AWEZNQCLSA-N 298.839 3.779 30 20 CHED COc1cccc([C@H](Cc2cc(C)cc(C)c2)NCC#N)c1 540459912 UXOPLFJOFMWBOU-IBGZPJMESA-N 294.398 3.709 30 20 CHED CC#CCCCC(=O)Nc1ccc(CC#N)cc1Cl 452648041 UGBNXUZEZJWMLC-UHFFFAOYSA-N 274.751 3.538 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)c1cccc(F)c1)OCC 270060592 UJHYRVBLQHPSAE-HNNXBMFYSA-N 279.355 3.550 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCSc2c(Cl)cccc21 453361676 OXQXXMWIBJPLAU-MCIONIFRSA-N 295.835 3.810 30 20 CHED Cc1cc(-c2noc([C@@H](C)c3cccc(C#N)c3)n2)c(C)o1 361267057 XDEJZANKGAQEQD-NSHDSACASA-N 293.326 3.970 30 20 CHED CCOc1cc(C#N)ccc1OCCCC1CCOCC1 279121314 UNBGYQVTJKYSIV-UHFFFAOYSA-N 289.375 3.543 30 20 CHED C=C(CC)CNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 455535196 LBXOZHGWTFESPR-ZBFHGGJFSA-N 272.392 3.745 30 20 CHED C#CCCCCC(=O)Nc1cnn(CCC(C)C)c1CC 277629366 RUHRUQWVXYVWMO-UHFFFAOYSA-N 289.423 3.624 30 20 CHED C=CCCc1noc([C@@H]2CCN(c3ccccc3)[C@H]2C)n1 453243248 YWFLIWBOAIMMGB-DZGCQCFKSA-N 283.375 3.571 30 20 CHED C=CCCCCNC(=O)N[C@H](C(C)(C)C)C(F)(F)F 548182920 CDRAABUKZJKEAU-SNVBAGLBSA-N 280.334 3.619 30 20 CHED C=CCC[C@@H](CC)NCCC1CCC(OC)CC1 541738805 PPDUANWLMJTDCM-HWOWSKLDSA-N 253.430 3.916 30 20 CHED N#Cc1cccc(NCc2cnc(-c3ccccc3)nc2)c1 541853884 YXROAFMGMKSKEH-UHFFFAOYSA-N 286.338 3.627 30 20 CHED CC[C@@H](NCc1ccc([C@H](C)O)cc1)c1ccc(C#N)cc1 278259860 NMRJRFIKKUXQSG-IFXJQAMLSA-N 294.398 3.852 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2ncccc2c1 620858714 PBNWCGZJPAGJKH-UHFFFAOYSA-N 268.360 3.709 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CC)CC(F)(F)F 544834823 PBPNAXFNEPOMQN-LLVKDONJSA-N 263.303 3.602 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](CC)CC(F)(F)F 620864381 BWQGPPNYOZZHSZ-SNVBAGLBSA-N 265.319 3.826 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(CC)cc2)no1 278938023 FWMZKTGOVNZPIO-HUUCEWRRSA-N 284.359 3.748 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CCC[C@H]1C 466700597 UCCIMHVYQUALCT-CABCVRRESA-N 266.429 3.810 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1ccc(C=C)cc1 463425224 SZLXNYMQJKJVMP-INIZCTEOSA-N 272.392 3.526 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C#N)[C@H](C)C1CCCCC1 461960315 VBMFZGZAQXEUPV-WMHQRMGPSA-N 291.439 3.583 30 20 CHED CC(C)(C)c1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 464706119 CAPBOZIHKWKNOK-AWEZNQCLSA-N 272.392 3.652 30 20 CHED CC(C)(C#N)C(=O)N1C[C@H](c2ccccc2)c2ccccc21 373045264 ROHMZWKDWYLNRW-MRXNPFEDSA-N 290.366 3.715 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ocnc1C1CC1 289779160 PWJHKBJATIIPPO-UHFFFAOYSA-N 288.391 3.761 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](CC)c1ccc(F)cn1)OCC 285778338 JYCGJFUJAIWYCA-HUUCEWRRSA-N 295.354 3.586 30 20 CHED Cc1cccc2c1N(Cc1ccc(F)c(C#N)c1)CC2 468266306 MJJZFKVLVWURTG-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=CC(C)(C)CNC(=O)COc1ccccc1C(C)C 556396565 SVINORLGWSGEJW-UHFFFAOYSA-N 275.392 3.517 30 20 CHED CC[C@H](CSc1ccccc1)NC(=O)[C@@](C)(C#N)CC 285784042 OIRYBNVMMWAOKJ-CZUORRHYSA-N 290.432 3.613 30 20 CHED N#Cc1cccc(Cl)c1N1CCC2(CCOCC2)CC1 286719584 LQEWASAMRNHHNR-UHFFFAOYSA-N 290.794 3.609 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(Cl)cc2)no1 285213323 FHBYOJMRSIBLFN-ZDUSSCGKSA-N 261.712 3.581 30 20 CHED C=CCOCCN1Cc2ccccc2-c2ccccc2C1 555337923 USTOAHYUIMMUAB-UHFFFAOYSA-N 279.383 3.872 30 20 CHED C[C@H](CCNC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 294555109 MXKDZOSXEZEOSI-DNVCBOLYSA-N 296.414 3.770 30 20 CHED Cc1ccc2[nH]c([C@@H]3CCCN3CCC(C)(C)C#N)nc2c1 295939888 KZRIVDKDOVTOED-INIZCTEOSA-N 296.418 3.948 30 20 CHED N#Cc1cccc(/C=C\c2nc(CC3CCCC3)no2)c1 551511003 SSFOXTAQYPJUIZ-HJWRWDBZSA-N 279.343 3.844 30 20 CHED C=CCC[C@H](O)CN1CCCCC[C@@H]1c1ccccc1 472747769 IPSGVPDHVZDNCK-ZWKOTPCHSA-N 273.420 3.931 30 20 CHED C=C(C)CN[C@H](C)c1nc2ccccc2n1C(F)F 298513857 REPKSJJUCLNLRI-SNVBAGLBSA-N 265.307 3.658 30 20 CHED CC[C@@H](C)n1nc(C(=O)Nc2cccc(C#N)c2C)cc1C 479101869 GIZVIWRFQYSLBZ-LLVKDONJSA-N 296.374 3.595 30 20 CHED CC(C)(CCC#N)CNc1nc2ccccc2cc1C#N 808093722 RTHWKOHUTCHZIE-UHFFFAOYSA-N 278.359 3.848 30 20 CHED C=CC1CCN(C(=O)NC[C@@H](CC)c2ccccc2)CC1 476488947 MYOORKBNODPAFN-MRXNPFEDSA-N 286.419 3.788 30 20 CHED C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccsc1 800790074 BEKDMYGOKVTGQO-CULDGANSSA-N 276.317 3.542 30 20 CHED C=CC[C@H]1N(C(=O)C[C@H]2C=CCC2)CCCC1(C)C 470288632 UBUAFTJNKFFILN-LSDHHAIUSA-N 261.409 3.936 30 20 CHED CCC(C)(C)c1ccc(NCCO[C@@H](C)C#N)cc1 802746258 IZGVBQCSWXJOBS-ZDUSSCGKSA-N 260.381 3.715 30 20 CHED Cc1sc(NC(=O)CCCOC(C)(C)C)c(C#N)c1C 807948103 WFOQDKWMVFNYBR-UHFFFAOYSA-N 294.420 3.770 30 20 CHED C#C[C@@H](NC(=O)[C@@H](c1ccccc1)C(C)C)C(C)(C)C 807884120 JNGKVKPVNJOXHO-HZPDHXFCSA-N 271.404 3.590 30 20 CHED N#CCCCCCC(=O)OCc1ccccc1OC(F)F 805695725 FZCQDIYZRZBPLI-UHFFFAOYSA-N 297.301 3.805 30 20 CHED C=CCCCCCCCCNC(=O)N1CCCC1 807591102 ADYPPYVWFZEWNP-UHFFFAOYSA-N 252.402 3.709 30 20 CHED C#C[C@H](NC(=O)/C=C\CCC)c1ccc(Cl)cc1F 804416396 FNKOAKLOFSCEFQ-AFNCTOJWSA-N 279.742 3.626 30 20 CHED C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(C#N)cc1 295771407 AGXOLZNSWYLPTQ-BLLLJJGKSA-N 278.355 3.602 30 20 CHED C#Cc1cccc(N(C(=O)c2oc(CC)nc2C)C(C)C)c1 294607055 DOHIADNWPMTZNV-UHFFFAOYSA-N 296.370 3.582 30 20 CHED C=CCOc1ccc(OC(=O)[C@@]2(C#N)CC23CCCC3)cc1 295311179 OEDHTLVHKSLXDI-SFHVURJKSA-N 297.354 3.631 30 20 CHED C=CCCCCNC(=O)c1ccc(-c2ccccc2)[nH]1 471700752 LPRSUVNMQHUPBG-UHFFFAOYSA-N 268.360 3.768 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCCC1)c1c(F)cccc1F 299147031 XDHLKBSUWUJTGA-LLVKDONJSA-N 292.329 3.616 30 20 CHED Cc1ccc([C@H]2CCCCCN2C(=O)CCCC#N)o1 291502935 NMLVRUQHVKNEBQ-CQSZACIVSA-N 274.364 3.726 30 20 CHED C=C(CC)CNc1cc(Cl)c(F)c(C(=O)OC)c1 479457973 UOUFCBOGQYBIMO-UHFFFAOYSA-N 271.719 3.644 30 20 CHED C=C(Cl)COC(=O)c1c(C)nc2ccccc2c1C 804808175 DZCXYUGTXVYURB-UHFFFAOYSA-N 275.735 3.761 30 20 CHED N#Cc1cccc(CSCCCC2CCOCC2)c1 569617174 OWCPQUBIFFOTPQ-UHFFFAOYSA-N 275.417 3.998 30 20 CHED C=CCC(CC=C)C(=O)N1CC2(CCC2)[C@H]1C(C)C 292239795 DMOWSABOJAXBNW-OAHLLOKOSA-N 261.409 3.792 30 20 CHED C#C[C@@H](NCc1cccc(-c2ccccn2)c1)C(C)(C)C 809781241 KKGRIKZETWLHQW-GOSISDBHSA-N 278.399 3.886 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)ccc2C)[C@H]1SC 807955053 LYDWUIHWKRPGNE-HUUCEWRRSA-N 278.421 3.612 30 20 CHED CCOc1ccc(Sc2nc(C)ccc2C#N)cc1 804336066 HHOKNKRUKUHPDR-UHFFFAOYSA-N 270.357 3.812 30 20 CHED CCc1ccc(C(=O)OCc2cc(C#N)ccc2F)s1 804729396 JTILARVBYDPBIW-UHFFFAOYSA-N 289.331 3.678 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CCC[C@@H](F)C1 564903103 GUOMZWOHSGVGIQ-NXEZZACHSA-N 287.260 3.665 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1 488871089 PLCAAGRWQQWZLZ-CYBMUJFWSA-N 295.835 3.999 30 20 CHED Cc1ccc(Br)c(C)c1C(=O)OCCCC#N 814500933 NCCOZEXQLBTQHL-UHFFFAOYSA-N 296.164 3.527 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(N(C)C)c(C)c1 819096591 RRJYAXYTYMVSCX-UHFFFAOYSA-N 260.381 3.602 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(OCC(C)C)c1 815061389 SOHSZJJECXYKNY-UHFFFAOYSA-N 283.318 3.871 30 20 CHED C=CCC(F)(F)C(=O)N1CCC(c2cccc(F)c2)CC1 815755160 VESOVJZICNCEJO-UHFFFAOYSA-N 297.320 3.743 30 20 CHED Cc1cc(Cl)cc(C)c1C=NOCCOC(C)C 812239815 AOZRDOKUSNYFRK-UHFFFAOYSA-N 269.772 3.732 30 20 CHED Fc1ccc2c(c1)C(=NOC1CCC1)CCS2 812238514 YGCFFYQRBGBKFA-UHFFFAOYSA-N 251.326 3.595 30 20 CHED C=CCCCCOC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C 811012915 BVAPCXVZULEAJH-QWHCGFSZSA-N 266.381 3.527 30 20 CHED Cc1cc(CN2CC[C@@H](c3ccccc3F)C2)ccc1C#N 579380505 QNCBUCKPJDUCFF-QGZVFWFLSA-N 294.373 3.995 30 20 CHED N#CCCCC(=O)OCCc1cccc(Cl)c1Cl 812616070 UZXFNGUSPCBLOY-UHFFFAOYSA-N 286.158 3.773 30 20 CHED Fc1cccc(NN=Cc2ncc(Cl)s2)c1F 814858687 CPTHUCLXENDISX-UHFFFAOYSA-N 273.695 3.521 30 20 CHED FC(F)Oc1cccc(Cl)c1C=NOC1CCC1 812236888 YROJHPBFIDYMAN-UHFFFAOYSA-N 275.682 3.844 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc2c(C)cccc2[nH]1 657455537 UWXOACZIFALSEG-KBXCAEBGSA-N 284.403 3.547 30 20 CHED CC[C@@H](C)[C@H](C=NNc1cc(Cl)nc(Cl)c1)OC 819828713 NNLWEARZNRRJDH-SCZZXKLOSA-N 290.194 3.847 30 20 CHED C=CCCOC(=O)c1sc2cccc(F)c2c1COC 729072823 YHDAYDLIALZZGX-UHFFFAOYSA-N 294.347 3.920 30 20 CHED N#Cc1cccc([C@@H]2CN([C@H]3C=CCCCCC3)CCO2)c1 815078028 LSPWFRVVXYGFIM-OALUTQOASA-N 296.414 3.820 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 816517566 UXSFKGSBEBCYID-ZFWWWQNUSA-N 293.357 3.911 30 20 CHED CC[C@@H]1CCCN1C(=S)Nc1ccc(C#N)c(Cl)c1 727701524 VZZSQKHACWXVFX-GFCCVEGCSA-N 293.823 3.783 30 20 CHED C=CCCCCOC(=O)Cc1coc(-c2cccs2)n1 811009994 FGXHYIYISTXIAV-UHFFFAOYSA-N 291.372 3.845 30 20 CHED COc1ccc2oc(C=NOCCC3CC3)cc2c1 814246207 WBFWHZRXJBYLGY-UHFFFAOYSA-N 259.305 3.592 30 20 CHED COc1ccc(C(C)=NO[C@@H]2CCCCO2)c(Cl)c1 819808926 IVLHENNPQMMAAD-CQSZACIVSA-N 283.755 3.616 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc([C@@H]2CCOC2)cc1 820853923 YDXKZYUADWPKOC-CQSZACIVSA-N 274.360 3.698 30 20 CHED C#Cc1cccc(N(C(=O)/C=C/c2ccco2)C(C)C)c1 728247819 IJUXTIQFWQHBBF-ZHACJKMWSA-N 279.339 3.716 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(CC#N)cc1 495496041 BFRSKSXZHXILTL-CYBMUJFWSA-N 296.345 3.709 30 20 CHED C=CCN(C(=O)/C=C(/C)c1ccccc1OC)C(C)C 727305271 XWUPLEXALZJXLS-OWBHPGMISA-N 273.376 3.522 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1cccc(C)c1C 490301524 QCJXGHQLQYVAKB-MRXNPFEDSA-N 274.408 3.800 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H](CC)CC(F)(F)F 822680740 GWUUSEHVKLXHER-MNOVXSKESA-N 265.319 3.684 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@@H]2CCCC2(F)F)cc1 824799530 OHVFKFLUOURORK-OCCSQVGLSA-N 294.345 3.502 30 20 CHED CC#CCCNCc1ccc(-c2c(F)cccc2F)o1 499209640 FJIQFSYVHFPIKG-UHFFFAOYSA-N 275.298 3.728 30 20 CHED C=CCC1(NC2C[C@@H](C)C[C@H](C)C2)CCOCC1 668552147 FSFUTRIDOOTBGK-KBPBESRZSA-N 251.414 3.526 30 20 CHED C=C(Cl)CNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 828213199 ARFMWLJBVVTWDX-LSDHHAIUSA-N 277.795 3.514 30 20 CHED Cc1c2c(nc3ccccc13)-c1cc(C#N)ccc1C2 581639978 RKYLRKPJPVPVQI-UHFFFAOYSA-N 256.308 3.986 30 20 CHED C#Cc1cccc(NC(=O)CC[C@H]2CC2(Cl)Cl)c1 820255779 PDXLIMXCWHWUQA-NSHDSACASA-N 282.170 3.580 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccsc1C#N 906710379 NLWGIDQMGRNRHN-GXTWGEPZSA-N 296.395 3.638 30 20 CHED C#CCN(C(=O)Nc1cc(C(F)(F)F)ccc1C)C1CC1 491741800 PNWFHIZXIATBOT-UHFFFAOYSA-N 296.292 3.643 30 20 CHED C=CC[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C 735066688 VVEIHOMDFBLQML-LLVKDONJSA-N 288.416 3.850 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3ccccc23)CC1(F)F 491867952 KCELJFLXPLJAIA-NSHDSACASA-N 287.313 3.588 30 20 CHED C=CCC[C@H](CC)N[C@H](C(=O)O)c1cc(C)cc(C)c1 901530462 HTQAUORPQYYNRG-HOTGVXAUSA-N 275.392 3.764 30 20 CHED CC(C)[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 495413697 YWUYBGPMTJFTQT-IBGZPJMESA-N 292.382 3.614 30 20 CHED C=CCCn1cc(Br)c(C(C)(C)C)n1 664048535 LIUKJORYPYYQBA-UHFFFAOYSA-N 257.175 3.519 30 20 CHED C=CC[C@H](NC(=O)Nc1ccc(OC)cc1)c1ccncc1 734515206 JBJYEUWDNTVQGO-INIZCTEOSA-N 297.358 3.529 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 581825648 FJQLNLIRKKLKJO-FRFSOERESA-N 257.377 3.808 30 20 CHED C#CCOc1ccccc1CNC(=O)C[C@H]1CCCC[C@@H]1C 734105261 INWMWEBWLQPZDT-JKSUJKDBSA-N 299.414 3.531 30 20 CHED C#C[C@@H](CC)NC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 836424930 QLLRPJLLOGNPFW-IRXDYDNUSA-N 296.414 3.725 30 20 CHED C#CCN(CC)C(=O)NCC1CCC(c2ccccc2)CC1 731122089 MESHWTLPRJAHSS-UHFFFAOYSA-N 298.430 3.625 30 20 CHED N#Cc1ncccc1NCCOc1cccc2ccccc12 584121044 KAVOSJKAZNAUII-UHFFFAOYSA-N 289.338 3.597 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cccc(O)c1 731317652 CFZNVLQEPAMVEF-YVMONPNESA-N 256.276 3.736 30 20 CHED CSC[C@](C)(C#N)NC(=O)C[C@H](C)CCC=C(C)C 582666872 BDUWPSJTIIFNPV-HIFRSBDPSA-N 282.453 3.520 30 20 CHED CC[C@H]1CN(c2cc(C#N)ccn2)CC[C@@H]1c1ccccc1 583862991 DJMAXYRPHPKAKQ-WMZOPIPTSA-N 291.398 3.973 30 20 CHED C#CCO[C@H](C)c1nc([C@@H](c2ccccc2C)C(C)C)no1 834737059 GHLMFJCUDONULQ-GDBMZVCRSA-N 298.386 3.877 30 20 CHED C#Cc1ccc([C@@H](OC(=O)/C(C)=C\C)C(F)(F)F)cc1 836081914 ZOCHJYQDVPLZEP-JTMRULEUSA-N 282.261 3.781 30 20 CHED C=CCN(C(=O)N[C@H](C)CCC(C)(C)C)C(C)C 737060923 BTZYUTZVRINUGW-CYBMUJFWSA-N 254.418 3.807 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C3CC3)cc2)CC1 678559365 LEAUPDGCXZGZJO-UHFFFAOYSA-N 270.376 3.994 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC2(CCCCC2)CC1)OCC 677304137 WWMFEPDEDHSJST-MRXNPFEDSA-N 293.451 3.931 30 20 CHED CC(C)C1CCC(=NNc2nccnc2Cl)CC1 733078747 JNQNFEDKEHFFDO-UHFFFAOYSA-N 266.776 3.744 30 20 CHED CC1(C)CCC/C(=C\c2cc(F)ncc2F)C1=O 834430041 DGMSEDDEOMSSDO-RMKNXTFCSA-N 251.276 3.522 30 20 CHED C=C(C)CN(C)C(=O)C1(c2cccc(Cl)c2)CCC1 679204764 WUSYMJNZIOLUBI-UHFFFAOYSA-N 277.795 3.796 30 20 CHED N#C[C@@]1(C(=O)OCCCCC(F)(F)F)CC12CCCC2 837904099 WDKZLJQHKZUYON-CYBMUJFWSA-N 289.297 3.736 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccccc1O 734302023 VXPGPSUTRWGMIK-UHFFFAOYSA-N 280.249 3.646 30 20 CHED N#C[C@H]1CCCC(=NNc2cc(C(F)(F)F)ccn2)C1 834986019 RCSVMSNXBLHCTM-VIFPVBQESA-N 282.269 3.582 30 20 CHED CC(C)CC(CC(C)C)C(=O)N(C)c1ccc(C#N)nc1 593277079 PJOSKKTXPVHTLP-UHFFFAOYSA-N 287.407 3.624 30 20 CHED C[C@@H](/N=C\c1ccccc1O)c1c(F)cccc1F 917558677 UUOSEXVISSXUHC-PQQLAPNWSA-N 261.271 3.851 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)c1cccc(C#N)c1 595539422 MMGWGFNDHICORZ-IFWAZGHOSA-N 297.402 3.592 30 20 CHED C[C@H](NN=Cc1csc2ccccc12)C(F)(F)F 834996771 VYGKKIJEJPTCGD-QMMMGPOBSA-N 272.295 3.776 30 20 CHED N#C[C@H]1CC[C@H](NC2(c3ccccc3Cl)CC2)C1 592391749 HQUYONBWTSBPNV-RYUDHWBXSA-N 260.768 3.611 30 20 CHED C=C[C@H](CC(=O)NC1(C(F)(F)F)CC1)c1ccccc1 677612348 AMRYSKBIIMIVAI-LLVKDONJSA-N 283.293 3.557 30 20 CHED C=CCOCC(=O)N(CCCCC)Cc1ccc(F)cc1 591125264 HEPACHUVLQCKGG-UHFFFAOYSA-N 293.382 3.547 30 20 CHED COc1cc(C(C)=NNc2ccc(Cl)cc2)ccc1O 916246523 BGSVRNGIAZURQJ-UHFFFAOYSA-N 290.750 3.890 30 20 CHED C=CCCOCC(=O)N1c2ccccc2CC[C@H]1C(C)C 677665189 ZQMDPHXSAKCOMT-INIZCTEOSA-N 287.403 3.583 30 20 CHED C=CCC[C@H](C)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C 843415190 BFSDRPUSSUEPST-MELADBBJSA-N 284.444 3.623 30 20 CHED CS[C@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 915275424 LCQKKUKDJOLVOQ-GFCCVEGCSA-N 297.379 3.882 30 20 CHED CCOCc1cc(C=NNc2ccccc2)ccc1OC 747602066 JTHQUVJSBUDVTC-UHFFFAOYSA-N 284.359 3.678 30 20 CHED CC[C@H](C#N)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 593739228 XCWNRQKNOGJKHS-HYVNUMGLSA-N 284.403 3.626 30 20 CHED C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(C2CC2)c1 598619861 XZEDYYWZHYERMD-CXAGYDPISA-N 286.419 3.515 30 20 CHED Cc1ccccc1-c1noc(CSCC2(CC#N)CC2)n1 596336633 QWLVGQACNGHTSS-UHFFFAOYSA-N 299.399 3.972 30 20 CHED C=CCCCCSCCS(=O)(=O)Cc1ccccc1 842193035 WQCXCJVRXWJIDC-UHFFFAOYSA-N 298.473 3.691 30 20 CHED CCC[C@H]1CCc2nc(NC(=O)[C@@H](C#N)CC)sc2C1 593444447 PSDCUYOQBNZVQB-WDEREUQCSA-N 291.420 3.536 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)[C@H]1C[C@@H]1C 844624495 YJWMCUHBJSFVIP-CABZTGNLSA-N 260.337 3.527 30 20 CHED C[C@@H]1CCCCN1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 594446993 CUATZLRPIQAREU-CQSZACIVSA-N 297.402 3.517 30 20 CHED CCC(C)(C)OCCN[C@@H]1CCCc2cc(C#N)ccc21 590780402 NKEDGTMAGPFPSM-QGZVFWFLSA-N 286.419 3.730 30 20 CHED C[C@H](C#N)N(Cc1cccc(OCC(F)(F)F)c1)C1CC1 595714749 ZRLFQTWOUCZHCO-LLVKDONJSA-N 298.308 3.504 30 20 CHED COc1ccc(C)cc1/C=C1\CCc2c(O)cccc2C1=O 742433868 AKOLCZWNIIDOCU-ACCUITESSA-N 294.350 3.922 30 20 CHED N#CC1(Cn2ccnc2[C@@H](O)C2CCCCC2)CCCC1 918015017 ASVWQBIUFHXQSP-HNNXBMFYSA-N 287.407 3.581 30 20 CHED CCCCCCCCNC(=N)NCCC(C)(F)F 849032997 VPOFWTYAVJQDFO-UHFFFAOYSA-N 263.376 3.506 30 20 CHED C=C(C)CONC(=O)CCC[C@H](C)c1cccc(OC)c1 846534828 CYTXHCRMKMNZNY-AWEZNQCLSA-N 291.391 3.593 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(Oc2ccc(F)cc2)nc1 596997103 YCXDJWISBJFSAX-ZDUSSCGKSA-N 299.349 3.747 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNCc2cc(F)ccc2F)o1 915979648 XNGOLOUVKFFWPP-IINYFYTJSA-N 290.313 3.805 30 20 CHED CC(C)(C)n1cc(CSCCc2ccc(C#N)cc2)cn1 596378792 FXBPQGOAISLAMM-UHFFFAOYSA-N 299.443 3.986 30 20 CHED C=CCCCCCCCNC(=O)c1c(F)ccnc1F 848098082 GGBVULWKBIRKJV-UHFFFAOYSA-N 282.334 3.616 30 20 CHED O=C(NCC#Cc1ccccc1)C1CCCCCCC1 741530283 VTLNQGYVHLYDGW-UHFFFAOYSA-N 269.388 3.515 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C/c2c(O)cccc2OC)C1 749008302 UWVRLRRFBJWQCT-JHBBZFSESA-N 293.432 3.884 30 20 CHED C#CC1CCN(C(=O)c2oc3c(C)ccc(C)c3c2C)CC1 843707864 JIHAWLXWRFQHHA-UHFFFAOYSA-N 295.382 3.843 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C(C)(C)C 598872059 RGMXNYUHNGSATQ-CQSZACIVSA-N 284.403 3.550 30 20 CHED CC1(O)CCC(/N=C\c2c(O)ccc3ccccc23)CC1 749845897 UWRGEWJFMSHGNZ-UNOMPAQXSA-N 283.371 3.658 30 20 CHED CCc1nc2ccc(NC(=O)CC(C)(C)C#N)cc2s1 592683217 CTCKVCKZRMVNRQ-UHFFFAOYSA-N 287.388 3.737 30 20 CHED CCCc1nc(C)c(COc2ccc(C#N)cc2CC)o1 596279760 VPWHWMGYGUQDTF-UHFFFAOYSA-N 284.359 3.949 30 20 CHED CN(C)C(=NCC(C)(C)CCCc1ccccc1)N(C)C 849100290 LCUDJPMMSGESSD-UHFFFAOYSA-N 289.467 3.515 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(NC(=O)C2CC2)cc1 925730700 HRZJYRAQBHUVIC-LBPRGKRZSA-N 285.391 3.775 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCO[C@H](C(C)C)C2)n1 924080475 WFAOHQIGMLVBNT-OLZOCXBDSA-N 278.396 3.842 30 20 CHED COc1cccc(/C=N\[C@@H](C)Cc2ccccc2F)c1O 920174132 YMCUKNAAHHELDV-XHEYCZLTSA-N 287.334 3.590 30 20 CHED CSc1ccc(/C=C\C(=O)N[C@H](C#N)C(C)(C)C)s1 859917002 SJYMNZXZQVPHEO-JPVGGKMYSA-N 294.445 3.538 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCC(C2CCCC2)CC1 682085326 RMRCDLFYAIROHZ-GOSISDBHSA-N 293.451 3.644 30 20 CHED COc1cc(Cl)c(C)cc1N=Cc1cccc(O)c1O 920943067 MIUSPVTUAMJIFC-UHFFFAOYSA-N 291.734 3.819 30 20 CHED Cc1cc([C@H]2CCCN2CCCCC2(C#N)CCC2)on1 929286965 ADVLJBROALUJBV-OAHLLOKOSA-N 287.407 3.984 30 20 CHED Clc1ccc(C#CCOc2cccnc2Cl)cc1 754274897 IVQXDPJXSOUUBD-UHFFFAOYSA-N 278.138 3.819 30 20 CHED C[C@H](O)CN(C)N=C1CCCC[C@H]1c1ccccc1Cl 853356558 HTOGGEHHTRBYFI-JSGCOSHPSA-N 294.826 3.666 30 20 CHED Cc1nnc(N[C@H]2CCc3ccc(Cl)cc32)c(C#N)c1C 858835078 SOGQUKRYQFJDTE-HNNXBMFYSA-N 298.777 3.718 30 20 CHED N#Cc1cc(C(=O)Oc2ccc(F)cc2)ccc1Cl 753996050 PAEDEBLWOCCIOB-UHFFFAOYSA-N 275.666 3.570 30 20 CHED C[C@H](CSc1ccc(F)cc1)C(=O)OCCCCC#N 756288430 WBCMRCFRFUVOAO-GFCCVEGCSA-N 295.379 3.791 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccoc1 755870924 AXKFNLPEOLVZBC-UHFFFAOYSA-N 251.289 3.664 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)s1)c1ccccc1F 750396065 WRXAOUSDLFZGDE-VIFPVBQESA-N 275.304 3.677 30 20 CHED CC(CC(C)(C)C#N)=NNc1nc(C(F)(F)F)cs1 853316808 DNWIZFMREKVPBW-UHFFFAOYSA-N 290.314 3.890 30 20 CHED COc1ccc(NN=Cc2cc(F)cc3cccnc23)cc1 750946386 QKWMMNRFEZDAIY-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C[C@H](CC=NNc1ccccc1C(=O)O)c1ccccc1 755602223 UKGSQHLVKVVFLR-CYBMUJFWSA-N 282.343 3.976 30 20 CHED Cn1c(Cl)cnc1/C=C/C(=O)c1ccc(Cl)s1 752890660 WJCZJNXWCIYAHI-GORDUTHDSA-N 287.171 3.685 30 20 CHED Cc1nc(C)c(C=NNc2ccc(F)cc2C)s1 750938103 BPLMYFNIBZUHCU-UHFFFAOYSA-N 263.341 3.653 30 20 CHED Oc1ccccc1/C=N\C1CCC(N2CCCCC2)CC1 750818296 SDXIFDJMNDSFDG-RGEXLXHISA-N 286.419 3.608 30 20 CHED N#Cc1cc(C(=O)N2CCCCCCC2)ccc1Cl 754008157 DGGZIBZUHQAHAU-UHFFFAOYSA-N 276.767 3.618 30 20 CHED CC(C)(C)CC=NNc1ccc(C(F)(F)F)cn1 755489742 WLODJLDIPKUSAV-UHFFFAOYSA-N 259.275 3.934 30 20 CHED C(=NNc1ncnc2ccsc12)[C@@H]1C[C@H]1c1ccccc1 755794822 FAWKLABEUHTSHJ-STQMWFEESA-N 294.383 3.893 30 20 CHED C[C@@H]1CC(OC(=O)c2cc(C#N)cs2)C[C@@H](C)C1 752185177 KMNJXXAFOJPKKT-UWVGGRQHSA-N 263.362 3.601 30 20 CHED C(=NOCc1csc(-c2cccs2)n1)C1CC1 853734751 IQXFVPZBYJHMOR-UHFFFAOYSA-N 264.375 3.784 30 20 CHED C#CCN(CC)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 763092590 WRLDVHFQHFJGIX-SFHVURJKSA-N 298.430 3.852 30 20 CHED CCc1ccc(/C=C2\CCc3scnc3C2=O)cc1 863196416 IRTNKOAIQAYHKO-UKTHLTGXSA-N 269.369 3.918 30 20 CHED C#Cc1ccc(NC(=O)NC[C@H](CC)CC(F)(F)F)cc1 934926643 FWMAGOLSDOKTDH-GFCCVEGCSA-N 298.308 3.768 30 20 CHED FC(F)(F)CON=Cc1ccsc1C(F)(F)F 863103403 YIURLJXUMVGFMG-UHFFFAOYSA-N 277.189 3.680 30 20 CHED CC(F)(F)CCC(=O)OCc1ccccc1C(C)(C)C#N 768007534 MWWXXSGBZZJMFA-UHFFFAOYSA-N 295.329 3.966 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 765927334 PRXMEFGSDIDSGQ-HYVNUMGLSA-N 297.402 3.540 30 20 CHED C=CCCc1nc(Cc2ccc(OC(C)C)cc2)no1 761676395 OEUAIWSKTSEBIQ-UHFFFAOYSA-N 272.348 3.566 30 20 CHED CCCCNN=Cc1c(Cl)cccc1N1CCCC1 763353766 GUBDEZYDRYXRBP-UHFFFAOYSA-N 279.815 3.664 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 935184986 SRJRBGVTXNJAMD-HNNXBMFYSA-N 294.398 3.776 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(OC)c(F)c1 767375035 ZSXBZJJTOSLEHT-UHFFFAOYSA-N 297.333 3.629 30 20 CHED C#CCOc1ccccc1CNCc1c(C)cccc1C 765280127 QIEGAWVXLBYEOG-UHFFFAOYSA-N 279.383 3.605 30 20 CHED CC(C)CC[C@H]1CCCC1=NNCCOC(C)C 778547537 IOLGDQHEIKFDKM-CQSZACIVSA-N 254.418 3.593 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 932179908 NGLUCDOOVOQTHF-GFCCVEGCSA-N 275.352 3.575 30 20 CHED CCC(C)(C)c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 867170870 ZKUMHBGIARRHRT-UONOGXRCSA-N 281.359 3.900 30 20 CHED Cc1cccc(C)c1CNc1c(C#N)nnc2ccccc12 765604488 VZUMZUYVYQBQOS-UHFFFAOYSA-N 288.354 3.730 30 20 CHED C=CCOc1ccc(OC(=O)C[C@H](OCC)C(C)C)cc1 760571300 JQIZCDHJCSZNAW-INIZCTEOSA-N 292.375 3.608 30 20 CHED Fc1ccccc1CCNN=Cc1ccc2ncccc2c1 764717486 QANGSFZMQUDCIJ-UHFFFAOYSA-N 293.345 3.540 30 20 CHED C=CCC[C@@H](NC[C@](C)(O)c1cccc(Cl)c1)C1CC1 765814662 HHAAGXMSSIHTPX-SJORKVTESA-N 293.838 3.882 30 20 CHED Clc1cccc(C#CCOc2ccc(Cl)nc2)c1 766372697 CTRCHPXSKXHKKK-UHFFFAOYSA-N 278.138 3.819 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1cc(C#N)c(F)cc1F 876350525 PCXFJNXASDJECJ-CMDGGOBGSA-N 264.275 3.521 30 20 CHED Cc1ccccc1-c1cccc(C=NNC[C@H](C)C#N)c1 771099862 RIYGLRPOVHCAEA-CQSZACIVSA-N 277.371 3.745 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](CC)Oc2ccccc21 779966011 ZFHWEGCRFQRDMP-OAHLLOKOSA-N 285.387 3.774 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1csc(-c2ccco2)n1 1116822296 UJVQNPOYQBWYEO-LLVKDONJSA-N 288.372 3.584 30 20 CHED C=C(C)C(C)(C)c1nc(C(C)(C)c2ccncc2)no1 871858659 SSFMLXQWQMBZBL-UHFFFAOYSA-N 271.364 3.644 30 20 CHED CC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(C#N)cc1 774161441 NCBZKGJCZIBEJA-SFHVURJKSA-N 292.382 3.734 30 20 CHED CC(C)(C)c1nc(COc2ccc(C#N)c(F)c2)co1 877878307 VFBPELMLPTVKJQ-UHFFFAOYSA-N 274.295 3.562 30 20 CHED CC(=NN=c1cc[nH]cc1)C12CC3CC(CC(C3)C1)C2 779809900 SXPMEBLVGUYRQB-UHFFFAOYSA-N 269.392 3.508 30 20 CHED C=CCSc1nc2ccccc2n1CN1CC=CCC1 778576463 HBQNZNJCOMMENY-UHFFFAOYSA-N 285.416 3.534 30 20 CHED C=C(CC)COC(=O)CCc1c[nH]c2ccccc12 773425508 SPIDTYBGCIOQDD-UHFFFAOYSA-N 257.333 3.610 30 20 CHED CCc1cnccc1[C@H](C)/N=C\c1ccccc1O 773147398 FRKNYKNGOJINAQ-SJWFJVLYSA-N 254.333 3.530 30 20 CHED C=CCSc1ccccc1C(=O)OCCOCC1CC1 777075226 DUKABVNQCFDIIC-UHFFFAOYSA-N 292.400 3.548 30 20 CHED CC(C)c1ccc(OCC(=O)OCCC(C)(C)C#N)cc1 776369959 VDLVJFKQRYDEJR-UHFFFAOYSA-N 289.375 3.672 30 20 CHED Cc1ccc2[nH]c(C(=O)OCC3(C#N)CC3)c(Cl)c2c1 1122858804 CRDBZRAONDXZLH-UHFFFAOYSA-N 288.734 3.590 30 20 CHED Cc1cccc(C)c1C=NNc1nccnc1C(C)C 773092134 ZDLRWWUSMYPCKP-UHFFFAOYSA-N 268.364 3.663 30 20 CHED N#CCC1(OC(=O)c2ccsc2C(F)F)CCC1 1122906586 AMUSDFPSLLYMJG-UHFFFAOYSA-N 271.288 3.679 30 20 CHED C=CCCC(=O)O[C@@H](C)c1cc(C)c(OC)cc1C 770022940 OKIURAHAKJEPSM-ZDUSSCGKSA-N 262.349 3.882 30 20 CHED CCCCCCCCCCC(=O)N1CCSC[C@H]1C#N 775497506 JQVHUZSFHALSJV-OAHLLOKOSA-N 296.480 3.985 30 20 CHED C[C@@H](NCc1ccc(CF)cc1)c1ccc(C#N)cc1 777725342 RWVQOMWQKWVDGN-CYBMUJFWSA-N 268.335 3.879 30 20 CHED CCC(CC)CNN=C(C)C[C@@H](C)NC(=O)OC(C)(C)C 774475787 QDEBSSYZRSXLBO-GFCCVEGCSA-N 299.459 3.691 30 20 CHED C=C(C)[C@H](NC(=O)C1(F)CCCC1)c1ccc(F)c(F)c1 772329011 RFPJWHPPTKXQPO-AWEZNQCLSA-N 297.320 3.981 30 20 CHED CC[C@@H](OC(=O)c1cccc(C#N)c1C)c1ccc(F)cn1 1122867642 IOWHZLLGURZKJG-MRXNPFEDSA-N 298.317 3.709 30 20 CHED N#CCc1ccc(COC(=O)/C=C\c2ccccc2)cc1 776115109 WSKDEZIXAVCRTC-KHPPLWFESA-N 277.323 3.509 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)[C@H](C)CC)c1 779914870 IQCXKCIBXCEKMN-ZIAGYGMSSA-N 257.377 3.703 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(F)c(C)c1 776193026 VYLKYQYOGZGPTJ-ALCCZGGFSA-N 269.319 3.988 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 1128982319 LYWLBBFKLPWZOM-DLBZAZTESA-N 294.329 3.634 30 20 CHED CC(C)CC(C)(C)C(=O)OCCCC(C)(C)C#N 784064430 CLFYYSUCCZCAFW-UHFFFAOYSA-N 253.386 3.932 30 20 CHED C[C@@H](CC#N)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786418055 XSTNONLTDWEXHF-NEPJUHHUSA-N 270.332 3.507 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC(F)CC1 882805251 VMXBHPGQOWEXIR-UHFFFAOYSA-N 289.741 3.698 30 20 CHED CC1(c2ccccc2)CCC(=NN[C@H]2CCCOC2)CC1 780259671 CKPYGAWLOYNXHX-ZENAZSQFSA-N 286.419 3.643 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H]1c1ccc(F)cc1 880675124 UJCAEDBJHJCFHX-AWEZNQCLSA-N 261.340 3.701 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)CCc1ccc(C#N)cc1 1129318521 XQSSAOQYMPGYKU-ZWKOTPCHSA-N 298.430 3.823 30 20 CHED C#CCC1(OC(=O)/C=C\c2nc3ccccc3s2)CCC1 788068795 UYBRFWBPZBHFPD-HJWRWDBZSA-N 297.379 3.799 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)nc1 783300699 PWGROOJJRQPDHT-KRWDZBQOSA-N 297.789 3.774 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@@H](C)c1ccco1 783872552 GZRKECXCCRBDOU-HNNXBMFYSA-N 299.370 3.920 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccnc(Cl)c1 787025374 GGRPXYJDUAXLHN-BZNIZROVSA-N 297.789 3.945 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(F)c(F)cc1F 785590829 DHPFJZCCYGBTGC-UHFFFAOYSA-N 285.265 3.591 30 20 CHED CCc1ccc(CNc2cc(C#N)ccc2OC)cc1 501005457 ZSIFKVQVKDOXCH-UHFFFAOYSA-N 266.344 3.741 30 20 CHED CCSc1ccc(CNC[C@H](C)CCC#N)cc1 895526484 MWYQDPGLESPJGN-CYBMUJFWSA-N 262.422 3.828 30 20 CHED C#CCCCNc1cc(Cl)ccc1O[C@@H](C)COC 786777795 WBQNYJZLWBECCA-LBPRGKRZSA-N 281.783 3.579 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](O)c1cc(F)cc(Cl)c1 787034913 LWVLALMAYZNFOG-ZIBATOQPSA-N 285.790 3.703 30 20 CHED C=C(C)CCN[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 386681513 IIJGPKBQRHPLEU-CABCVRRESA-N 296.455 3.626 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2ccc(CC#N)cc2)C1(C)C 893575918 LGQALWJXKOMMDU-JKSUJKDBSA-N 272.392 3.757 30 20 CHED C=C(C)COc1cccc(NCc2cn(C)nc2C2CC2)c1 892367098 XNAQHAPVTMTXJR-UHFFFAOYSA-N 297.402 3.865 30 20 CHED CC(=O)Nc1ccc(C(C)=NN[C@@H](C)c2ccccc2)cc1 781587555 GHQCJPXZJBJQJC-ZDUSSCGKSA-N 295.386 3.720 30 20 CHED COc1cc(C)ccc1C(=O)OCC1(C#N)CCCCC1 781546441 ZPWQQLUJLPIGJD-UHFFFAOYSA-N 287.359 3.635 30 20 CHED Cc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)cnc1F 895019119 ZRYRHYLGKQDHRE-ZDUSSCGKSA-N 283.350 3.594 30 20 CHED C=C1CCC(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)CC1 896021178 YDWYTAVMZAGFNY-UHFFFAOYSA-N 281.359 3.762 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2nc(C)cc(C)c2c1 895060716 KUFRFERTCZLXCM-KRWDZBQOSA-N 281.359 3.730 30 20 CHED N#CCOc1ccc(CN2CCCCc3sccc32)cc1 797996812 YYBVPWJJOUMMPN-UHFFFAOYSA-N 298.411 3.993 30 20 CHED C=CCN(Cc1cccs1)Cc1cnn(C)c1C1CC1 891510770 ZSPCCCPTNHYZLW-UHFFFAOYSA-N 287.432 3.547 30 20 CHED COc1ccccc1CON=C(C)CCc1ccc(O)cc1 799118383 CPCBPBPCJVDPQE-UHFFFAOYSA-N 299.370 3.926 30 20 CHED Cc1ccc(NCc2ccc(C#N)c(F)c2)cc1F 190314952 QLBIPUJSHALSFO-UHFFFAOYSA-N 258.271 3.757 30 20 CHED FC(F)(F)CCNN=Cc1cccc(-c2cccnc2)c1 794548091 PBXXEJPFSQUYRI-UHFFFAOYSA-N 293.292 3.625 30 20 CHED C=CCCSCCNCc1cc(F)c(F)cc1F 594960842 XFRMGEFHPAEXTR-UHFFFAOYSA-N 275.339 3.503 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NO[C@@H]1CCCCO1 794857030 BTAONNJABVWWER-QGZVFWFLSA-N 284.359 3.532 30 20 CHED Cc1csc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1C#N 1204890010 VEWIWHKSSGQWHT-GXFFZTMASA-N 291.420 3.971 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccsc1Cl 790149650 NBLLSAZELBPDKQ-UHFFFAOYSA-N 280.736 3.546 30 20 CHED COCC[C@H]1CCCC1=NNc1cc(F)c(F)cc1F 799880140 DQCLOHYIBGTLEW-SECBINFHSA-N 286.297 3.708 30 20 CHED CC1(C(=O)Nc2ccc(C#N)c(Cl)c2)CC(F)(F)C1 720486488 DUUUFSPPABFJJT-UHFFFAOYSA-N 284.693 3.586 30 20 CHED N#Cc1ccc(N[C@@H]2CCCOCC2)cc1C(F)(F)F 88191367 MTFINUMRBMBAJO-LLVKDONJSA-N 284.281 3.558 30 20 CHED Cc1cccc(C)c1OC[C@@H](C)Nc1ncc(C#N)cc1F 1162292332 MGRSKUGCGPCUEF-CYBMUJFWSA-N 299.349 3.589 30 20 CHED CC(C)(C)c1ccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)nn1 1318928482 JJEINIMSESBXTO-RFGFWPKPSA-N 298.434 3.998 30 20 CHED CC(C)n1cc([C@H](C)Nc2ccc(OCC#N)cc2)cn1 1319855647 ARKLOMHPXDWTGQ-ZDUSSCGKSA-N 284.363 3.539 30 20 CHED CN(CCCCc1ccccc1)c1cccc(CC#N)n1 1320656472 SCYNUJCQIOYPOQ-UHFFFAOYSA-N 279.387 3.607 30 20 CHED C#C[C@@H](NC(=O)Nc1c(C)cc(Cl)cc1C)C(C)C 1326684425 NEKPNNSROMYDDZ-CYBMUJFWSA-N 278.783 3.736 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(CC)c(CC)c1 1323438605 JWRIXIIHOMDSAZ-UHFFFAOYSA-N 259.393 3.850 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1c(C#N)cccc1C#N 1320813455 NMJHPOALCDYMHE-WMZOPIPTSA-N 273.339 3.572 30 20 CHED N#Cc1cc(C(=O)N[C@@H]2CCCCC23CCCC3)cs1 1326528731 LMUOSSHHSOCLKT-CQSZACIVSA-N 288.416 3.853 30 20 CHED COc1cc(O)ccc1/C=C1/Cc2cc(C)ccc2C1=O 1251316721 WDSDOYYIUXHNPD-ZSOIEALJSA-N 280.323 3.532 30 20 CHED C=C1CCC(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)CC1 1333099356 FVRBLKZRNSSVPY-CQSZACIVSA-N 287.403 3.528 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 1337379925 YJOZQUFAGUKEGY-OAHLLOKOSA-N 285.387 3.905 30 20 CHED C=CC[C@H]1CCCC[C@@H]1Nc1ccc(CCC(N)=O)cc1 1330316100 OOZFBFYBNWLIQE-RDJZCZTQSA-N 286.419 3.651 30 20 CHED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)c(Cl)n1 1339264278 YBDQWXTZSBMJMJ-UHFFFAOYSA-N 291.782 3.846 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)O[C@H](CC#N)c1ccco1 1263660634 LGBLQBALBHQMDI-CZUORRHYSA-N 283.327 3.890 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)c1cccc(C2CCC2)c1 1345645910 BZJPOZSKIVFZHJ-INIZCTEOSA-N 293.370 3.661 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H](C)c2ccccc2C)n1 1341725579 XCQALESHFFSBER-GXTWGEPZSA-N 284.384 3.740 30 20 CHED C=CCCCCCN(C)C(=O)CC#Cc1ccccc1 1340379296 PIIAGTPWGOFORS-UHFFFAOYSA-N 269.388 3.633 30 20 CHED CC(C)Cc1ccc(C(=O)[C@H](C#N)c2ccccn2)s1 1342707226 MHJDUXJHIZLEPA-CYBMUJFWSA-N 284.384 3.832 30 20 CHED CCC[C@@H](NC(=O)c1cccc(C#N)c1)C1CCCC1 1275585755 FOEFOQPEAZTSJM-MRXNPFEDSA-N 270.376 3.647 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2csc(C#N)c2)[C@@H]1C 1358217117 JQHAERLKZLPERN-BREBYQMCSA-N 263.362 3.601 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@@H](CC#N)c2ccccc2)CC1 1435929167 UVWDIAVLTQUTEB-PVAVHDDUSA-N 284.403 3.769 30 20 CHED CC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1C 1361270534 VWSLNQARJRDVJF-UHFFFAOYSA-N 292.338 3.630 30 20 CHED CC(C)(C#N)OC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1516822385 WTEDFHZVSRYTCJ-ARJAWSKDSA-N 284.142 3.852 30 20 CHED Cc1ccc(F)cc1[C@H](C)OC(=O)C1(C#N)CCCC1 1527678657 TVXWYSSQFYMZHS-LBPRGKRZSA-N 275.323 3.822 30 20 CHED Cc1cccc(O[C@@H](C)C(=O)O[C@H](CC#N)c2ccco2)c1 1526994125 ZZLRQYLCLHIEQO-XJKSGUPXSA-N 299.326 3.554 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@H]1c1cc(C)no1)c1ccccc1 1527451898 QMQQXOHIKSNDBE-CVEARBPZSA-N 296.370 3.616 30 20 CHED N#Cc1c(F)cccc1N1CCCc2ccccc2C1 113310791 WMCPZXFVJRKCNK-UHFFFAOYSA-N 266.319 3.650 30 20 CHED Cc1cccc(CSc2snc(C)c2C#N)c1 1612382027 WJUNXXKECNHXLK-UHFFFAOYSA-N 260.387 3.924 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC(C)(C)c1cccc(F)c1 1531261917 XEUYTVKTSMZORH-UHFFFAOYSA-N 296.345 3.671 30 20 CHED Cc1sccc1NC(=O)c1ccccc1SCC#N 1471085459 FDGYCEMCTPKMMR-UHFFFAOYSA-N 288.397 3.925 30 20 CHED Cc1cccc(CN(C)c2nc(C#N)c(Cl)s2)c1C 1472791172 AGHFVNFAKUPTHY-UHFFFAOYSA-N 291.807 3.921 30 20 CHED COc1ccc(C#N)cc1CN[C@H]1CCC(C)(C)C[C@H]1C 1642811270 CBAZVBGSWAASBS-CJNGLKHVSA-N 286.419 3.871 30 20 CHED Cc1cc(=NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C#N)c[nH]1 1642172843 UZMXCBNKZACGLK-KMFMINBZSA-N 285.435 3.804 30 20 CHED C[C@@H]1CCC[C@H](c2noc(-c3cccc(C#N)c3)n2)C1 230997538 SLIPDIPTTFARKA-YPMHNXCESA-N 267.332 3.902 30 20 CHED Cc1cc(NCC2(Cc3ccccc3)CC2)ncc1C#N 1655297087 OVZXHHWYBWDAFW-UHFFFAOYSA-N 277.371 3.697 30 20 CHED CN(CC1(CC#N)CC1)[C@H]1CCC[C@H]1c1ccccc1 1654690959 AAELDCKBTAHDDC-IRXDYDNUSA-N 268.404 3.948 30 20 CHED Cc1cc(CN(CC(C)C)c2ccc(C#N)cc2)ccn1 1652789252 RCWNKGAEKFCQAJ-UHFFFAOYSA-N 279.387 3.924 30 20 CHED C=C(CC(C)C)C(=O)Nc1nc(C(=O)O)c(C(C)C)s1 1588605820 OVTJWZVUQWVOJQ-UHFFFAOYSA-N 296.392 3.506 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2cc(F)cc(C#N)c2)c1 1672410839 WIQDOQAWKORBQV-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CCCC(C)(C)NC(=O)Nc1cc(C)cc(C#N)c1 1678413244 NEHILCXTMALRFW-UHFFFAOYSA-N 259.353 3.567 30 20 CHED Cc1cc2c(s1)C/C(=C/c1ccc(CC(=O)O)cc1)C2=O 1777428113 RFODVBOPPQQENI-QPEQYQDCSA-N 298.363 3.506 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H](C)C2CCCCC2)CC1 1776159597 MSJGVKAOFKASKN-OAHLLOKOSA-N 293.451 3.946 30 20 CHED N#Cc1ccccc1COC(=O)c1csc2c1CCCC2 19027767 JTFDSHVFLNLJMG-UHFFFAOYSA-N 297.379 3.856 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(Cl)c(F)c2)n1 161885193 KQXBZGYDDDXEQC-SECBINFHSA-N 294.738 3.734 30 20 CHED COc1cc(NCC(C)(C)CCC#N)ccc1F 160009368 NBWMEPYKYHYRCQ-UHFFFAOYSA-N 250.317 3.576 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc2c(C)c(C)[nH]c12 160014412 DQGLVNHLWMLMMT-UHFFFAOYSA-N 270.376 3.823 30 20 CHED C=C(C)CNC(=O)Nc1cccc(CCC(F)(F)F)c1 157565160 AFXXOQUCGAPCDR-UHFFFAOYSA-N 286.297 3.879 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(C#N)c(Cl)c2)C1 157574913 CBDLNMXUZINAAT-RYUDHWBXSA-N 290.794 3.862 30 20 CHED C=CCN(C(=O)c1cnc(Cl)c2ccccc12)C1CC1 236051678 CKXNPTXIGBEXMY-UHFFFAOYSA-N 286.762 3.679 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccccc1 37748599 IQPARRAKFDFMOM-KRWDZBQOSA-N 250.345 3.799 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(C#N)cc2)C1 31726164 ADQPGFRFXXZVJZ-SWLSCSKDSA-N 271.364 3.601 30 20 CHED CC1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 36926866 MYLJVRKXRJRFJK-UHFFFAOYSA-N 268.282 3.813 30 20 CHED CCC[C@@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 466832167 BVWRZDIJUFDANF-CQSZACIVSA-N 257.381 3.587 30 20 CHED CC(C)(C)C[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 307777375 QUGMRGWJNZKBNW-ZDUSSCGKSA-N 274.383 3.955 30 20 CHED Cc1cc(C#N)nc(NCc2cc(Cl)sc2Cl)n1 312754897 CWAOCQCRQTZHOZ-UHFFFAOYSA-N 299.186 3.637 30 20 CHED C[C@H]1CC(F)(F)CCN1c1ccc(C#N)c(Cl)c1 528205132 BPUKUWHAJKZALY-VIFPVBQESA-N 270.710 3.836 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2ccc(C#N)cc2F)CCO1 487119319 MTKYXNDRDMUJOK-IUODEOHRSA-N 276.355 3.703 30 20 CHED C=CCCCCCCNCc1cn(C)nc1C(C)(C)C 380429278 ZOPCQUBBHOVXCO-UHFFFAOYSA-N 277.456 3.944 30 20 CHED Cc1ncc(CSCc2ccc(C#N)cc2F)s1 109349456 LATBOSARFWDXEN-UHFFFAOYSA-N 278.377 3.896 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC#N)c1ccccc1 172576606 KAQSSACAXBUBRA-ZWKOTPCHSA-N 290.366 3.655 30 20 CHED C=C(C)COC(=O)CCCc1c[nH]c2ccccc12 57983387 UNKNNLKHJKEOFU-UHFFFAOYSA-N 257.333 3.610 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)Nc1cccc(C#N)c1)C1CC1 109846749 HWXGCNONEIHKHI-STQMWFEESA-N 285.391 3.989 30 20 CHED Cc1nnc(N[C@H]2CCc3cc(Cl)ccc32)c(C#N)c1C 57147696 HMRSMWHMTPNQIE-HNNXBMFYSA-N 298.777 3.718 30 20 CHED C[C@H](CC(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 176570317 LREWJRWQHJMFGA-RHSMWYFYSA-N 284.403 3.769 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 116857889 TYSLTHMHTOXWGM-CYZMBNFOSA-N 263.768 3.524 30 20 CHED C=CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 134445929 NFIDWRMJVOCZNO-VIFPVBQESA-N 276.327 3.527 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c(C#N)c2)C1 345074125 JXIFHRVUOIWODZ-VHSXEESVSA-N 262.740 3.586 30 20 CHED C[C@@H](NC(=O)CCCc1cccs1)c1ccc(C#N)cc1 26113667 FHWWZACUBMQIMW-CYBMUJFWSA-N 298.411 3.820 30 20 CHED CC(C)COc1cccc(CNCc2ccc(C#N)cc2)c1 67252164 ZWXJLCOIJVCLDV-UHFFFAOYSA-N 294.398 3.883 30 20 CHED Cc1ccc(CCC(=O)Nc2ccc(C#N)cc2)c(C)c1 25765604 UUJJFOJPMJTOEQ-UHFFFAOYSA-N 278.355 3.746 30 20 CHED Cc1cccc(NC(=O)c2ccccc2SCC#N)c1 21706742 ZDTZLCGXVMRHEE-UHFFFAOYSA-N 282.368 3.863 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3ccsc3)ccc21 178900343 DMGIDBWEHDUWLN-HWKANZROSA-N 269.369 3.637 30 20 CHED CCO[C@@H](CCNCc1ccc(C#N)s1)C1CCCC1 176981297 NFTDLIJFDIIUAQ-INIZCTEOSA-N 292.448 3.695 30 20 CHED C=CCCC(=O)Nc1ccc2cnn(C(C)C)c2c1 171444255 LXZSKUQBBOKBHO-UHFFFAOYSA-N 257.337 3.522 30 20 CHED Cc1nnc(NCc2ccc(C(C)(C)C)cc2)c(C#N)c1C 301094873 MDWCOBLRBHJQBC-UHFFFAOYSA-N 294.402 3.875 30 20 CHED FC(F)(F)c1ccc(CO/N=C2/CCCOCC2)cc1 179782195 MSNZUZRJNWYWPO-AQTBWJFISA-N 287.281 3.779 30 20 CHED C=CCOCCCc1nc(-c2cccc(Cl)c2)no1 174815448 CNDZCJWEHGZFCY-UHFFFAOYSA-N 278.739 3.525 30 20 CHED N#Cc1cc(Cl)ccc1NCC1(c2ccccn2)CC1 302844965 GBOOOJVWRIVXNY-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CCc1ccc(CN(C)c2ccc(Cl)c(C#N)n2)cc1 110080547 NCXUTFHVQFBKIJ-UHFFFAOYSA-N 285.778 3.805 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)c2cc(C)oc2C)CC1 111843562 LDSDZUQQSBDVEP-LBPRGKRZSA-N 276.380 3.565 30 20 CHED Cc1nc(Sc2ccccc2O)c(Cl)cc1C#N 311097187 JLEWKXNBCSQBAL-UHFFFAOYSA-N 276.748 3.772 30 20 CHED CCc1ccc([C@@H](C)CC(=O)OCCCC#N)cc1 172424757 UGVKPWPDLAZDAQ-ZDUSSCGKSA-N 259.349 3.590 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)Nc2cccc(C#N)c2)C1 174441965 PFCIQWVMMCQQJJ-STQMWFEESA-N 271.364 3.601 30 20 CHED Cc1nc(CCNc2ccc3cc(C#N)ccc3n2)cs1 301806303 FETKOWZBBOVJPT-UHFFFAOYSA-N 294.383 3.526 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnc3ccccn23)s1 119125195 GPTVHFZXDQRBCY-SOFGYWHQSA-N 282.368 3.854 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1ccc(F)cc1C#N 171379283 LIXCMMTXVPXJKN-UHFFFAOYSA-N 298.361 3.728 30 20 CHED COc1cc(C)ccc1CNc1ccc(C#N)cc1F 301613977 HPJMBGKLWYRTFA-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCCCOCCC/N=C(/N)Nc1cccc(C(C)C)c1 303711868 PONYPRNZQHHOTR-UHFFFAOYSA-N 291.439 3.743 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1 61889444 GXTBROOTITVAGK-SKDRFNHKSA-N 297.280 3.519 30 20 CHED C=C(C)COc1cc(CNCCC2CC2)ccc1OC 174606818 QGVMEIMHYKPUQJ-UHFFFAOYSA-N 275.392 3.540 30 20 CHED Cc1cccc(NC(=O)[C@H](C#N)C(=O)C2=CCCCCC2)c1 123602511 DLFVNXMRIRFMOI-MRXNPFEDSA-N 296.370 3.533 30 20 CHED C=C(C)CN(CC)C(=O)C(F)(F)c1ccccc1OCC 120240889 YORZZYUTLMYYDN-UHFFFAOYSA-N 297.345 3.602 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1 180016676 LTESPYYGXYZJFC-UHFFFAOYSA-N 272.270 3.745 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 182094965 YAXXCQZTHBHSRM-TUVASFSCSA-N 298.386 3.742 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccc(O)c(F)c1 121185795 QMHPSORHHYEIJV-HNQUOIGGSA-N 278.229 3.706 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Oc2ccccc2)ccn1 180387701 DAQNJIARFDCRFQ-UHFFFAOYSA-N 282.343 3.522 30 20 CHED C=CCC[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 417358735 FVWCELVUWXMWHO-DYVFJYSZSA-N 254.377 3.880 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(SCC)c1 71020093 LVQUSSXYHLWPNU-LBPRGKRZSA-N 279.405 3.718 30 20 CHED CC#CCCCC(=O)N(CC)c1cc(C)ccc1C 185273756 MGTGCTQCANRCTG-UHFFFAOYSA-N 257.377 3.850 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)cc2)c(C)c1 212533294 XTEVSBWOMXDTLN-YFHOEESVSA-N 252.313 3.905 30 20 CHED Cc1oc2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc2c1C 186484100 JFUHLZBCSVYTLK-JTQLQIEISA-N 285.347 3.816 30 20 CHED C=C(C)[C@H](NC[C@@H](CC)OC)c1ccc(F)c(F)c1 419283825 ZPEYHUVRWDJAAJ-DOMZBBRYSA-N 269.335 3.597 30 20 CHED Cc1cc(SCCC#N)c([N+](=O)[O-])cc1C(F)(F)F 413468413 ILJWCMNEFVVTEH-UHFFFAOYSA-N 290.266 3.928 30 20 CHED CCc1c[nH]c(S[C@H](C#N)Cc2ccc(C)cc2)n1 129395825 RKRVLFIKPQSQOK-AWEZNQCLSA-N 271.389 3.508 30 20 CHED CCCC/C(N)=N/OCc1ccc(C(F)F)cc1 185786677 LWZOWRKCFYFAHJ-UHFFFAOYSA-N 256.296 3.603 30 20 CHED C=C(C)CN(CC)Cc1ccc(OCCC)c(OC)c1 505881755 RNUSLTJYPBTLQQ-UHFFFAOYSA-N 277.408 3.882 30 20 CHED CCOc1ccc([C@H]2CCCN2Cc2ccc(C#N)o2)cc1 120871569 MBVMGVNSXBZIEF-GOSISDBHSA-N 296.370 3.887 30 20 CHED C=CCNC(=O)N[C@@H](c1cccs1)C(CC)CC 79765395 WIUVUDMNVLDBDK-CYBMUJFWSA-N 266.410 3.711 30 20 CHED Cc1[nH]c(=NCc2ccc3sccc3c2)ccc1C#N 487975023 BKJRDMVPDOJETG-UHFFFAOYSA-N 279.368 3.510 30 20 CHED Cc1cccc([C@H](C)OC(=O)COc2ccccc2C#N)c1 121847869 INQKIVUAPOWHPR-AWEZNQCLSA-N 295.338 3.550 30 20 CHED C=C[C@@H](CC(=O)NC1CCCCC1)c1ccccc1 121468907 JLSSXTFRHFCPDM-AWEZNQCLSA-N 257.377 3.795 30 20 CHED C=CC[C@@H](C)NCc1cscc1Br 286515023 MXPBODFAGGKRBR-MRVPVSSYSA-N 260.200 3.565 30 20 CHED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 417370373 SITVPDXNEYIAIT-DLBZAZTESA-N 254.377 3.714 30 20 CHED CC(C)(CC#N)CNC(=O)CCCc1c[nH]c2ccccc12 315775818 KUWXJRVITZTFSW-UHFFFAOYSA-N 297.402 3.547 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1cccc(C)c1 121751339 SFERKZUFPXESLF-UHFFFAOYSA-N 272.392 3.516 30 20 CHED CN(CCc1cccs1)Cc1cn2ccccc2c1C#N 75965491 YQGKZYQZMPTYPU-UHFFFAOYSA-N 295.411 3.547 30 20 CHED COc1cccc(C(C)(C)CN[C@@H]2CCC[C@H](C#N)C2)c1 185865190 WQDTXUGTCVIQNS-GOEBONIOSA-N 286.419 3.645 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C(C)(C)c1cccc(Cl)c1 76566936 BDRFZDWBCSBBGH-LBPRGKRZSA-N 292.810 3.626 30 20 CHED CCOC(=O)c1ccccc1Oc1ccccc1C#N 180762323 JBLRNRGCGTZKMM-UHFFFAOYSA-N 267.284 3.527 30 20 CHED CCN(CC#N)CCOC(c1ccccc1)c1ccccc1 507671251 RFJKMYQQJIILHT-UHFFFAOYSA-N 294.398 3.638 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C1CC1)C1CC1 413985633 KLPWGSFCWGIBDC-KRWDZBQOSA-N 283.415 3.726 30 20 CHED C=CC[C@@H](C)NCc1cc(Cl)ccc1OC(F)F 134747858 XEBBQSOTWXUWBS-SECBINFHSA-N 275.726 3.996 30 20 CHED CCC(CC)CN(CCC#N)C(=O)N(C)CC(C)(C)C 509352016 VQIPNETZSVPFGE-UHFFFAOYSA-N 281.444 3.736 30 20 CHED Cc1ccc(Cl)c2c1CCCN2C(=O)CCCC#N 411084474 JFXGSKHPWGRHJZ-UHFFFAOYSA-N 276.767 3.622 30 20 CHED C=C(C)CCc1noc(Cc2ccc(CC)cc2)n1 508599106 KTCHWRMQJKZILY-UHFFFAOYSA-N 256.349 3.732 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1cccc(Cl)c1 133158733 MWQKDWFWYBUHMR-BQYQJAHWSA-N 282.730 3.884 30 20 CHED C=CCCCC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 186185800 LFSSCEZIZIYLLW-GFCCVEGCSA-N 279.330 3.637 30 20 CHED C[C@H]1CCc2sc(C(=O)[C@H](C#N)c3ccccn3)cc2C1 46706063 VWFCHVWVZXVWBY-WCQYABFASA-N 296.395 3.758 30 20 CHED C[C@H]1CCCC[C@H]1OCC/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1 328932679 PFVFPCFQGCSHAH-DSJMHWKBSA-N 295.423 3.544 30 20 CHED COc1ccccc1[S@](=O)CCC1(C#N)CCCCC1 414224702 AWMIKTHYQWMVBB-HXUWFJFHSA-N 291.416 3.667 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC1(C#N)CCC1 418948627 CUTCQWPKTOCSAQ-UHFFFAOYSA-N 271.360 3.805 30 20 CHED C[C@H](/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1)c1nc2ccccc2[nH]1 328945236 VAUFDVKTDAKWJW-GRYCIOLGSA-N 299.374 3.586 30 20 CHED CCCCc1nc(COc2cc(C)c(C#N)c(C)c2C)no1 506423192 QNUAKBYISFSXRR-UHFFFAOYSA-N 299.374 3.788 30 20 CHED CC(C)(C)OCCCOc1ccc(C#N)cc1Cl 610684185 YKRDDCPWOBSMMS-UHFFFAOYSA-N 267.756 3.796 30 20 CHED C=CCC[C@@H](NCC[C@H]1C[C@H]2CC[C@H]1O2)c1ccco1 414161568 FQKUZVGVBDXAIL-ZJIFWQFVSA-N 275.392 3.834 30 20 CHED Cc1ncoc1/C(O)=N/[C@H]1CCCCC12CCCC2 329631649 ROLMUURCTDHPPN-LBPRGKRZSA-N 262.353 3.791 30 20 CHED C[C@H](/N=C(/O)N[C@@H]1CC12CCCCC2)c1ccc(C#N)cc1 329129172 VVNLLVFWKLSSJG-XJKSGUPXSA-N 297.402 3.846 30 20 CHED CC[C@H](C(=O)N[C@@]1(C#N)CCC[C@H](C)C1)c1ccccc1 193343565 PCVDMYBEHCABHC-ZVZYQTTQSA-N 284.403 3.769 30 20 CHED N#Cc1ccc(OCCCN2CCC[C@H]3CCC[C@@H]32)cc1 87771000 IJXMWAUMFIDJMP-AEFFLSMTSA-N 284.403 3.592 30 20 CHED O/C(=N/C[C@H]1CCc2ccccc21)c1ncoc1C1CC1 328887422 OQFIXGRWYUEPQV-CYBMUJFWSA-N 282.343 3.587 30 20 CHED CSc1ccc(Cl)cc1NC(=O)N(C)[C@H](C)CC#N 86284360 WPJWPKWTPYGPKL-SECBINFHSA-N 297.811 3.828 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(CC#N)cc2)C1 131062651 FLVZPWRIRFQXKC-DZGCQCFKSA-N 270.376 3.908 30 20 CHED C[C@H]1CC[C@H](C(O)=Nc2ccc3c(c2)C(O)=NC3)C1 329232260 LEWJZHSTXWGIOM-UWVGGRQHSA-N 258.321 3.529 30 20 CHED C=C(Br)COc1ccccc1C(F)(F)F 379888035 YTDCFDPVWOSLLC-UHFFFAOYSA-N 281.071 3.993 30 20 CHED C=CCNC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 89599590 VWPLDNCPAQSKRS-UHFFFAOYSA-N 295.338 3.597 30 20 CHED C[C@@H](/N=C(/O)[C@@H]1C[C@@]12CCOC2)c1cc2ccccc2o1 329870177 ZXTDKHYRIOTYGW-BTJLNZGRSA-N 285.343 3.877 30 20 CHED C=CCN(CC=C)C(=O)COc1ccc(C(C)C)c(C)c1 512171614 HPSCYHOJIZFXPI-UHFFFAOYSA-N 287.403 3.698 30 20 CHED CCc1cc(C(=O)[C@H](C#N)c2nc(C)cs2)sc1C 41520923 HVLPJMRLZFZITB-NSHDSACASA-N 290.413 3.874 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 424117050 CGCGIMNNINQYIS-COPLHBTASA-N 293.208 3.792 30 20 CHED C=C(Br)COc1cc(Cl)ccc1[N+](=O)[O-] 82238538 ZYOJORSVCTZWDX-UHFFFAOYSA-N 292.516 3.536 30 20 CHED COC1(CCN(C)[C@H](C)c2cccc(C#N)c2)CCC1 425537757 RBBFIMZMTHATHI-CQSZACIVSA-N 272.392 3.510 30 20 CHED C#CCCCC(=O)Nc1ccccc1OC(C)(C)C 192320368 VHSMPHMVWQVVFB-UHFFFAOYSA-N 259.349 3.606 30 20 CHED COc1nnccc1N=C(O)C[C@H]1C[C@@H](C)CC(C)(C)C1 329580394 LAZGOSRXIXAESW-VXGBXAGGSA-N 291.395 3.926 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(Br)c1 136250352 GEVXMMHGLFJYSD-ZDUSSCGKSA-N 295.180 3.636 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccsc1 192456803 YZIVSVKHYLILSZ-UHFFFAOYSA-N 298.411 3.599 30 20 CHED C=C(C)CN(CCC(C)C)Cc1cnn(C(C)C)c1 512521946 MFRIBMWHODVQMI-UHFFFAOYSA-N 263.429 3.888 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(C)cc2OC)no1 426634934 RPUFQWRMNAFKJF-UHFFFAOYSA-N 272.348 3.907 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)sc1C 41547128 WVLJIKAYQGLCMS-NSHDSACASA-N 296.351 3.996 30 20 CHED CC[C@H](C)C[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 237118771 WYVBEHQRKQYXBC-JKSUJKDBSA-N 287.451 3.951 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2scc(C)c2C#N)C1 516580630 MZIQKRLXEYZWIT-OAHLLOKOSA-N 291.420 3.972 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C#N)o2)[C@H]1c1cccc(F)c1 335558323 FACOFHAPDCBKSY-MEDUHNTESA-N 298.317 3.514 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)c1O 335682262 YKZKIOKQOAWGCD-LBPRGKRZSA-N 294.354 3.623 30 20 CHED CC(C)[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 90180677 LNWYVPRMKONAGU-GFCCVEGCSA-N 269.310 3.691 30 20 CHED C=CCCC(=O)O[C@@H](c1ccccc1)c1nccs1 91764116 REXCUDYDAFWQGH-AWEZNQCLSA-N 273.357 3.742 30 20 CHED CC[C@H]1CCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC1 332214530 HWUUCDDMKFWGJO-XJKSGUPXSA-N 285.391 3.647 30 20 CHED O/C(=N/CC[C@@H]1CCCCO1)c1coc2cc(F)ccc12 330021480 XWYDRBHGLGUEPX-LBPRGKRZSA-N 291.322 3.836 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)c(OC(F)F)c1 426457661 YRDSCLKXDWBXSA-TZMCWYRMSA-N 292.329 3.534 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(F)c2Cl)s1 335994070 HMVGWPZFCLJJOU-UHFFFAOYSA-N 280.711 3.665 30 20 CHED N#CC1(C(=O)N2C[C@H]3CC[C@H]2c2ccccc23)CCCC1 334381679 FROKQMHJORPZNV-CJNGLKHVSA-N 280.371 3.531 30 20 CHED CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 143277753 CAGLZTXVGHKCJQ-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@@H]1C(=O)CC[C@@H]1C/C(O)=N/[C@@H]1CCO[C@H](C(C)(C)C)C1 330009737 GKJXTDFVVUVUID-JLNYLFASSA-N 295.423 3.542 30 20 CHED CCc1ccc(C(=O)/C=C/c2cn(C)nc2CC)s1 92199328 WWHYCYXEGIBYRT-SOFGYWHQSA-N 274.389 3.503 30 20 CHED C=CCN(CC=C)C(=O)COc1ccccc1[C@@H](C)CC 97603243 CHEJDPSOXMYWAD-HNNXBMFYSA-N 287.403 3.780 30 20 CHED CC(C)(C)c1cc(NC(=O)C2CC(F)(F)C2)c(C#N)s1 336631842 GDQFTBCKGQMVPL-UHFFFAOYSA-N 298.358 3.901 30 20 CHED CCCN(CC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 437690674 ZPBKMYGJZFRVTR-IAGOWNOFSA-N 256.393 3.732 30 20 CHED C=CCOc1ccc(OCc2nc(C)sc2C)cc1 337682656 WHVPFDLFCRNMLG-UHFFFAOYSA-N 275.373 3.904 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1CCCCC1(F)F 334817589 MYHVXAILKKHROV-GFCCVEGCSA-N 278.302 3.517 30 20 CHED C=C(C)CCN1[C@H]2CC[C@H]1c1cnc(C(C)C)nc1C2 528588990 ANGJVZIUDQEHAI-BBRMVZONSA-N 271.408 3.628 30 20 CHED CCN(Cc1cccc(F)c1)Cc1ccc(OC)c(C#N)c1 340157192 CZCXVLHBBIREAC-UHFFFAOYSA-N 298.361 3.728 30 20 CHED N#CCCCCNC(=O)c1cccc(Nc2ccccc2)c1 344997574 ZZAUNLILLYWQAU-UHFFFAOYSA-N 293.370 3.854 30 20 CHED CC[C@H](C#N)OC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 246927806 MIWLOKPAVGYDGJ-USWWRNFRSA-N 298.169 3.942 30 20 CHED CCO[C@H](C)c1nccn1CCCCC(C)(C)C#N 436212773 WATCWWWUCWVXGC-CYBMUJFWSA-N 263.385 3.701 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 243730042 PSYSDEZQHNBFST-PCBIJLKTSA-N 283.375 3.504 30 20 CHED Cc1cccc([C@H]2CCN(C[C@H](C)CCC#N)C2)c1 602610425 WWPXEALNUZOVKD-WBVHZDCISA-N 256.393 3.724 30 20 CHED CC(C)(CCC#N)CNC/C=C/c1ccc(F)cc1F 342280300 FOWMJVWLZDMOFT-HWKANZROSA-N 278.346 3.898 30 20 CHED CC1(C)CCN(CC#Cc2cccc(Cl)c2)CCS1 434692507 GVMUICLXNZCUAT-UHFFFAOYSA-N 293.863 3.909 30 20 CHED CCCN(Cc1ccc(C#N)cn1)c1ccccc1F 528633068 CYHDNOGKTJEBMG-UHFFFAOYSA-N 269.323 3.509 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)c1ccc(CC#N)cc1 340037426 KKHGNFORWLMIKK-CQSZACIVSA-N 278.355 3.586 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)cc2Cl)C1 430361200 UUTOZFZTMFAUDP-WDEREUQCSA-N 276.767 3.976 30 20 CHED CCC(CC)[C@@H]1C[C@H](N[C@H]2CCC[C@H](C#N)C2)CCO1 249049775 XEEIUIMHMQREEA-LLLHUVSDSA-N 278.440 3.642 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C)c(C)cc1C 435737680 KPAYCKZRIJZNHV-WMZOPIPTSA-N 273.420 3.683 30 20 CHED N#Cc1cc(C(=O)Nc2ccc3ncsc3c2)ccc1F 340969623 GRZAUMXKDUVQCM-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C=CCC(CC=C)C(=O)Nc1nnc(CCCC)s1 343951130 VTOCGKBDEDVRNV-UHFFFAOYSA-N 279.409 3.588 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C)ccc1C 435665694 QXYBDSCAICUXLO-BQFCYCMXSA-N 273.420 3.935 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(C(C)(C)C)cc1 540396104 ARYAACNCZTWZLK-LSDHHAIUSA-N 275.436 3.819 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@H](C)CCC#N 602443168 HCPYCJHWYVZUJE-OAHLLOKOSA-N 269.392 3.710 30 20 CHED C=CCC[C@@H](O)CN(C)[C@@H](c1ccc(F)cc1)C(C)C 434621537 UKMZQMSPGIUCFS-IAGOWNOFSA-N 279.399 3.782 30 20 CHED CC[C@@](C)(NCCCSCC#N)c1ccc(F)cc1 602925850 ZATRIOPUVAQLEG-OAHLLOKOSA-N 280.412 3.687 30 20 CHED C=C(C)CCc1noc(-c2cnc(-c3cccnc3)s2)n1 349771932 OTHIWDDDJNGNKU-UHFFFAOYSA-N 298.371 3.764 30 20 CHED N#CCc1ccc(CSCC[C@@H]2CCCO2)cc1 344893462 XYTUXHWBKUTMBM-HNNXBMFYSA-N 261.390 3.555 30 20 CHED CC(C)Oc1cc(F)ccc1N[C@H]1CC[C@H](C#N)C1 442829784 QILDGRADHQIVBH-AAEUAGOBSA-N 262.328 3.717 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2c(c1)OCC2(C)C 529151136 BOLLAISRFSRFRY-UHFFFAOYSA-N 286.375 3.563 30 20 CHED N#CCc1ccc(C(=O)N[C@H](c2cccs2)C2CC2)cc1 340046560 LYELLBZNKFPGHJ-INIZCTEOSA-N 296.395 3.695 30 20 CHED C=CCCC(=O)N(CCC)[C@H]1CCc2ccccc21 522473259 KSTNFCIVUGBHLL-INIZCTEOSA-N 257.377 3.879 30 20 CHED O=C(/C=C\c1cccs1)c1c(Cl)nc2ccccn12 255690674 QHCMXQOLGOLHHQ-SREVYHEPSA-N 288.759 3.945 30 20 CHED O=C1/C(=C\C2=Cc3ccccc3OC2)Cc2c(O)cccc21 255522821 HDSHEVHYFWUVDG-ZROIWOOFSA-N 290.318 3.533 30 20 CHED C=CCCC1(C(=O)N[C@H](C)CC(=O)c2ccccc2)CC1 356323669 YCHOILUUCYKUBJ-CQSZACIVSA-N 285.387 3.511 30 20 CHED Cc1cc(CNc2ncc(C#N)cc2Cl)cc(C)c1O 358881295 NZXZGHOTULXPTQ-UHFFFAOYSA-N 287.750 3.541 30 20 CHED C=C(CC)CS[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C 539094750 HLXWTIWVQXGDOB-MCIONIFRSA-N 269.454 3.769 30 20 CHED CC(C)CCc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1 532778633 IGFIDGFCLSSOAL-UHFFFAOYSA-N 281.359 3.727 30 20 CHED CC(C)(CCC#N)CNC(=O)NC(C1CCC1)C1CCC1 358151122 FBYYJGUPINWPTJ-UHFFFAOYSA-N 291.439 3.584 30 20 CHED CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 353262774 IXUYPCNYZJBNOG-RTBURBONSA-N 292.382 3.523 30 20 CHED C[C@H](CC#N)NCc1cc(Cl)cc(Cl)c1F 601257580 SZCKWSVGPIQOLZ-SSDOTTSWSA-N 261.127 3.524 30 20 CHED C=CCCCc1nc(Cc2ccccc2Cl)no1 531128168 YISIROZBPMMMBN-UHFFFAOYSA-N 262.740 3.823 30 20 CHED CCCCOC1CCN([C@H](C)c2cccc(C#N)c2)CC1 442670784 DYBMXSVEEYVWNY-OAHLLOKOSA-N 286.419 3.900 30 20 CHED C=CCN(C(=O)NCC[C@@H](C)CC(C)(C)C)C1CC1 443547484 HAPIFVJILPEZEE-CYBMUJFWSA-N 266.429 3.809 30 20 CHED C=CCc1cc(CN(C)c2ccccc2)cc(OC)c1O 538862228 AFJBKJFINMFOAN-UHFFFAOYSA-N 283.371 3.766 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 449946965 AZRZXSXTNRVQKO-BLLLJJGKSA-N 281.359 3.585 30 20 CHED C=CCSc1ccccc1C(=O)N(C)CC(C)(C)C#N 353295065 LGHQSSMUPSAZBO-UHFFFAOYSA-N 288.416 3.586 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(C#N)ccc1F 352701689 MPAUMVOZLNZHKO-UHFFFAOYSA-N 284.334 3.521 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2oc(C(C)C)nc2C)C1 617778763 NVWHYTUDABASOS-CYBMUJFWSA-N 276.380 3.535 30 20 CHED CC(C)N(C)C[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 353569367 CCUKLKWHYWEDIL-BEFAXECRSA-N 299.462 3.644 30 20 CHED Cn1cc(/C=C\c2ccc3ccccc3n2)cc1C#N 358666030 WZEMNTUSKAPMRR-VURMDHGXSA-N 259.312 3.615 30 20 CHED CCCOc1cc(C)ccc1CN[C@H]1CC[C@H](C#N)C1 442762029 DSIWIVAFEQFLBR-HOCLYGCPSA-N 272.392 3.566 30 20 CHED CC(C)Cc1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1 610791529 QWZVXXJUJFYVCX-UHFFFAOYSA-N 293.370 3.598 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC[C@H]1CCCOC1 532709437 XXRREXWXGOOAPF-ZIAGYGMSSA-N 290.432 3.919 30 20 CHED CCC[C@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1 611249616 FVGWUWMSJLLAAD-HOTGVXAUSA-N 272.392 3.625 30 20 CHED CCCCCCCC(=O)N[C@H](C)CC(=O)c1ccco1 268387439 KJKRZCDSLSZBSF-CYBMUJFWSA-N 279.380 3.718 30 20 CHED C=CCN(C(=O)Cc1ccc(CC(C)C)cc1)C1CC1 536822747 RWRKWPAALJFPFV-UHFFFAOYSA-N 271.404 3.605 30 20 CHED C[C@H](CN(C)C(=O)C1(C#N)CCCCC1)c1ccccc1 263844729 HNHWVPNUPKBMBI-OAHLLOKOSA-N 284.403 3.723 30 20 CHED C=C(CC)CNC(=O)Nc1cc(-c2ncco2)ccc1C 455028048 WHAZCHVWABLKLS-UHFFFAOYSA-N 285.347 3.738 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccco1)C(C)C 268146013 DIJTXQQDIVJQHB-UHFFFAOYSA-N 261.365 3.785 30 20 CHED CC[C@H](C)CCCCC(=O)N1CCC(CC#N)CC1 612319297 KPBXLDLBKVFWLW-AWEZNQCLSA-N 264.413 3.745 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 615831045 JOHBMRDVPCLOHC-JKSUJKDBSA-N 271.404 3.735 30 20 CHED Cc1ccc(C#N)nc1N[C@H](C)CCc1ccccc1 611398712 NRXTWOBMQVIIQD-CQSZACIVSA-N 265.360 3.695 30 20 CHED CCN(CCC#N)[C@H](C)Cc1ccccc1C(F)(F)F 361647166 JXCGZTKVQXXQBC-GFCCVEGCSA-N 284.325 3.872 30 20 CHED Cc1cc2cc(NC(=O)NCC(C)(C)CC#N)ccc2[nH]1 459227889 GQYJNXWOAIJTID-UHFFFAOYSA-N 284.363 3.538 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)nc2)C1 278875484 XISGQNAFCPRBCC-LSDHHAIUSA-N 284.407 3.566 30 20 CHED C[C@H](NC(=O)N1CCC[C@H]2CCC[C@@H]21)c1cccc(C#N)c1 610357485 NSHWVJJKXPRLNS-LXZKKBNFSA-N 297.402 3.593 30 20 CHED C=CCC1(C(=O)N[C@@H]2Cc3cccc(O)c3C2)CCCCC1 451193465 XUYYSLFGYCOOKR-OAHLLOKOSA-N 299.414 3.502 30 20 CHED CC#CCCNC(=O)N[C@H]1CCC(C)(C)c2ccccc21 361367021 CWCJNSABEDQCHH-INIZCTEOSA-N 284.403 3.512 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1N1CCCCCC1 278474819 JBWLJBMJCXNGQY-UHFFFAOYSA-N 299.418 3.945 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1cccc(C#N)c1C 450172514 LOJQXIVLFZGLAW-SNVBAGLBSA-N 284.281 3.784 30 20 CHED C=C(Cl)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273410893 IDWGGJDWFROICK-GJZGRUSLSA-N 283.774 3.730 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CCCN1C1CCCCC1 366659099 AHVHZNPZHAIFDU-QGZVFWFLSA-N 291.483 3.703 30 20 CHED C#CCCCSc1nnc(-c2cccs2)n1CC 270920939 VEWQMIMORGPHDX-UHFFFAOYSA-N 277.418 3.532 30 20 CHED N#Cc1cccnc1N[C@H]1C[C@H](c2ccccc2Cl)C1 549702871 ULJGPWQZRAEATP-JOCQHMNTSA-N 283.762 3.965 30 20 CHED COc1ccc2ccccc2c1CNCC(C)(C)CC#N 459704368 XLWMHSBFMXIJRP-UHFFFAOYSA-N 282.387 3.878 30 20 CHED COc1cc(C)c([C@H](C)NCCC(C)(C)C#N)cc1OC 272046543 SEHRLAGCLASJQC-ZDUSSCGKSA-N 290.407 3.603 30 20 CHED C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CC1 548279687 KRXCMLJRUSAUGA-MJHDQNEOSA-N 276.767 3.520 30 20 CHED C#Cc1cccc(NC(=O)N2CCC=C(c3ccco3)C2)c1 376796357 MKGPLNIPTJHHPU-UHFFFAOYSA-N 292.338 3.582 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 464442723 SVRVDDCOGQTYGM-WNRNVDISSA-N 287.447 3.997 30 20 CHED CC#CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 277612171 HWSRZTUNQDKLCV-CQSZACIVSA-N 283.293 3.542 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)Cc1ccc(OC)cc1 620857936 PGTPCWUOZGNNBA-CQSZACIVSA-N 289.419 3.735 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCC[C@@H](SCC)C1 544055242 IFASYGJRUDWMTQ-BFHYXJOUSA-N 284.469 3.705 30 20 CHED C=CCN(C(=O)Nc1ccc(F)cc1Cl)C1CC1 271393060 RLOSBOYEKSSQNH-UHFFFAOYSA-N 268.719 3.661 30 20 CHED Cc1nc(N2C[C@H](C)[C@H]3CCCC[C@H]32)c(Cl)cc1C#N 461942857 QIYWIFKYGKSYIR-PSOPSSQASA-N 289.810 3.930 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 545876216 YVAPRROLKKOTCT-BPUTZDHNSA-N 290.382 3.726 30 20 CHED CC#CCCCC(=O)Nc1cccc2ccc(O)cc12 467940980 HGKUDXJTDKKGNK-UHFFFAOYSA-N 267.328 3.678 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 467087830 BAZWAOLFTSAQCJ-LSDHHAIUSA-N 266.429 3.809 30 20 CHED C[C@@H]1C[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)CC(C)(C)C1 464707679 FHPFLQZEASRHEN-MCIONIFRSA-N 278.440 3.893 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)NCCCCC#N 282595661 HGQCYXJPHNGAOV-LBPRGKRZSA-N 250.773 3.554 30 20 CHED C=CCC[C@H](NCC(C)(C)CCCO)c1ccco1 286172089 QLCCKFVEOBSWCT-AWEZNQCLSA-N 265.397 3.675 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 466539837 MNHLQCTYJJVXNF-QXSJWSMHSA-N 281.440 3.831 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccc(CCCCC)cc1 468935157 MBMOPWJJWZLKAG-KRWDZBQOSA-N 275.392 3.685 30 20 CHED C=C[C@@](C)(CCOC)c1nc([C@@H]2CCCCS2)no1 289566790 FQRSUPWOCWTIRE-FZMZJTMJSA-N 282.409 3.508 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)Oc1cccc(Cl)c1 466526406 JROMBUTZVNJSTE-CYBMUJFWSA-N 295.810 3.968 30 20 CHED N#Cc1cc(Cl)cc(OCCOc2ccccc2C#N)c1 385564025 QUMGNIPMFXZXMJ-UHFFFAOYSA-N 298.729 3.541 30 20 CHED C=CC[C@@H](CC)NC(=O)NC(C1CCC1)C1CCC1 558026922 YAYJLPJFHZJSPC-CQSZACIVSA-N 264.413 3.609 30 20 CHED C=C[C@@H](CC(=O)NC[C@H](C)C(F)(F)F)c1ccccc1 476329354 VUTKWKWISGRJJC-RYUDHWBXSA-N 285.309 3.661 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1F 475589021 JIUFZWCFDICSBG-WWGRRREGSA-N 288.366 3.723 30 20 CHED C=CCC1(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)CCC1 630329774 MUMJSCCPCDZVEL-LSDHHAIUSA-N 299.370 3.560 30 20 CHED CC(C)(CC(=O)N(C1CC1)C1(C#N)CCC1)c1ccccc1 556451806 HDYCOWSQPHKAMF-UHFFFAOYSA-N 296.414 3.792 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn(CCC(C)C)c1C 474237263 ODLVPUAKYPHSBY-INIZCTEOSA-N 277.412 3.778 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(F)cc2)cn1 806565816 TUAXJRSPDFTARA-RUDMXATFSA-N 284.334 3.809 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCCc1ccccc1Cl 805534855 MSWICKLVOSNXHZ-INIZCTEOSA-N 296.794 3.655 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)/C=C(\C)CC 294709618 ZNDQRPMJNGLUIS-ACCUITESSA-N 261.340 3.697 30 20 CHED C=CCCCCCCNC(=O)Nc1ccnn1C(C)(C)C 806438300 ZKBMUDDQCLUJMM-UHFFFAOYSA-N 292.427 3.896 30 20 CHED C#CCCCCC(=O)O[C@@H]1CCOc2c(F)cc(F)cc21 806011368 SOOUSJIDDAYJDM-CQSZACIVSA-N 294.297 3.525 30 20 CHED C=CCC[C@H](C)Nc1ccc(F)c(N2CCCNC2=O)c1 290527469 QKXRZDFECAZRGN-LBPRGKRZSA-N 291.370 3.512 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H]1CC 564620646 VGKDNLLBRWRZFL-OAHLLOKOSA-N 288.439 3.891 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc(C2CCCC2)cc1 290301812 FDVGYHZWNHZVSV-ZDUSSCGKSA-N 270.376 3.718 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1cc2cccc(F)c2o1 473930307 ZHPBTACFTORPQC-SNVBAGLBSA-N 276.311 3.508 30 20 CHED N#CC1(CNC(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 568245929 XUXUIJKQCLVOEB-MRXNPFEDSA-N 297.402 3.521 30 20 CHED N#Cc1cccc(CNc2ccc(OC(F)F)cc2F)c1 800877394 DSIQITZQARRWOK-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H](F)C1)c1ccc(C#N)cc1 567047980 DOXLEHLZBIJHLA-OAGGEKHMSA-N 260.356 3.880 30 20 CHED C=CCSc1ccccc1NC(=O)CN(C)C(C)(C)C 564928985 LYECORUCNRYYLW-UHFFFAOYSA-N 292.448 3.634 30 20 CHED C#C[C@@H](C)NC/C(C)=C\c1ccccc1C(F)(F)F 809683553 FDYAVMANANLQDI-UCQJPZFISA-N 267.294 3.720 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 471715419 SNMNUHQFISPPFP-UHFFFAOYSA-N 296.301 3.542 30 20 CHED C=CCCCCN1CCN(C2CCC(C)CC2)CC1 649314350 BUSBSOAZNGIHKI-UHFFFAOYSA-N 264.457 3.539 30 20 CHED CC1(C)CCC[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 564768001 OCDHPAPOAQICAU-HNNXBMFYSA-N 288.366 3.899 30 20 CHED Cc1cc(C)cc(C(=O)NC2(c3cccc(C#N)c3)CC2)c1 560842553 YRSYESJATXYHJX-UHFFFAOYSA-N 290.366 3.594 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H](C(C)(C)C)C1)C(C)(C)C 808313820 DJOFLCSOWAELNM-KGLIPLIRSA-N 278.440 3.502 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(CSCC)c1 806302338 CDVKMERIFMEYEP-CQSZACIVSA-N 290.432 3.863 30 20 CHED CC1CC(C#N)(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)C1 562743596 XJBAEUHQMIQCIL-YQSWOPOKSA-N 296.414 3.626 30 20 CHED C=CC[C@H](C)[C@H](C)NC1(c2cccc(OC)c2)CC1 560570291 AEOFOBUNDFEJKN-KBPBESRZSA-N 259.393 3.875 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N(CCC#N)CC(C)C)C1(C)C 818032182 SVOUUULMDAJKMJ-CABCVRRESA-N 276.424 3.623 30 20 CHED Oc1cccc(C=NNc2ccc(Cl)nc2)c1Cl 814858892 IKLXKMKBHXURQS-UHFFFAOYSA-N 282.130 3.540 30 20 CHED N#CC1(CSCC[C@@H]2CC2(Cl)Cl)CCC1 818153039 HWYGCCVJHKSNBG-SECBINFHSA-N 264.221 3.997 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)c(O)c1 811694698 YPSVMTRPLACSDP-VURMDHGXSA-N 281.286 3.608 30 20 CHED CC[C@@H](CN(CC)C(=O)C1(C#N)CCC1)c1ccccc1 482268603 QQKVADRCHCDCTG-HNNXBMFYSA-N 284.403 3.723 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(C#N)s1 489364804 RHWFRKMRXRNPHG-AAEUAGOBSA-N 276.405 3.661 30 20 CHED CCC(=NNCC(F)F)C12CC3CC(CC(C3)C1)C2 811642947 MDWZDJBOYAPZDZ-UHFFFAOYSA-N 270.367 3.824 30 20 CHED C=CCOc1ccc(CNC2(C3CCC3)CC2)cc1OC 651959686 YOFVZEPFUNSTEL-UHFFFAOYSA-N 287.403 3.682 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCN(C)CC1 814918812 GWUKMEMXYQDJPQ-SOLBZPMBSA-N 291.483 3.509 30 20 CHED C=CCCCS(=O)(=O)N[C@H](c1ccccc1C)C(C)C 489276862 JZJHNFCCWWXTFA-INIZCTEOSA-N 295.448 3.578 30 20 CHED CC(C)N(C)CC1CCN(CCCCC(C)(C)C#N)CC1 574955608 HQYAZEPNZLJMRX-UHFFFAOYSA-N 293.499 3.759 30 20 CHED Cc1c[nH]nc1C=NNc1c(Cl)cc(F)cc1Cl 814891181 PHOFNCWDFDDJSH-UHFFFAOYSA-N 287.125 3.610 30 20 CHED Cc1nc(Oc2cccnc2Cl)c(Cl)cc1C#N 812461025 ZELMWPWTQGMOOX-UHFFFAOYSA-N 280.114 3.756 30 20 CHED C=CCCCC[C@@H](C)NCc1c(C2CC2)cnn1C 658211337 DVHFBBVPBMKTMJ-CYBMUJFWSA-N 261.413 3.522 30 20 CHED CC(C)(C)CN(CCC#N)c1nc2cc(F)ccc2o1 573862155 DGRZVPYUHKHUKW-UHFFFAOYSA-N 275.327 3.733 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)C1CCN(C)CC1 814690195 XQGJIHKTVIZNIE-UHFFFAOYSA-N 299.340 3.835 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CC[C@@H]1C1CC1 579885692 GFESIOYMEHMHQU-KGLIPLIRSA-N 256.349 3.557 30 20 CHED C=CCCCCOC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 811012283 FCVBINPZNWYAQI-HUUCEWRRSA-N 268.397 3.727 30 20 CHED COc1ccc(CCC(C)=NOC/C=C/Cl)cc1 811669841 JYTZIEIIRQTQPU-NMHHKXGCSA-N 267.756 3.773 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC(C)(C)C[C@@H](C)O 657921731 ZZALTCKFGNPPFQ-RBSFLKMASA-N 253.430 3.508 30 20 CHED C=CCc1ccccc1OC(=O)c1ccnc2ccncc12 810525004 FPKXIWCNQMYHBT-UHFFFAOYSA-N 290.322 3.578 30 20 CHED C=CCCC(C)(C)NCc1scnc1C1CC1 657805500 QLINNTPUMXIZHB-UHFFFAOYSA-N 250.411 3.855 30 20 CHED CCCCC[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 486790156 FEBHWKJKZGXMKU-QGZVFWFLSA-N 299.418 3.541 30 20 CHED CC(C)(C#N)CCCCSCCOC[C@H]1CCCO1 578990382 MCTLEYYBPZTJCF-CQSZACIVSA-N 285.453 3.635 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(CC)C[C@H](C)C#N 727673918 HQAOMCBBIFTOOK-HUUCEWRRSA-N 266.429 3.991 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(Cc2ccc(C#N)cn2)C1 579854485 ATUSBSVKRMNJQF-SCLBCKFNSA-N 295.361 3.675 30 20 CHED C=CCN(C(=O)NCc1nc(C(C)(C)C)cs1)C(C)C 729622771 ZNCNLIZALGLHHM-UHFFFAOYSA-N 295.452 3.547 30 20 CHED CCCCCCCCCNC(=O)N(C)CC(F)F 729043363 QFUFQGDZGINZHW-UHFFFAOYSA-N 264.360 3.644 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC)[C@H](C)Cc1ccsc1 820653852 BJSWAFXTWLRNFX-UKRRQHHQSA-N 292.448 3.513 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 498264682 RDMQUSQKSCPQIE-QBYUYEEZSA-N 299.414 3.806 30 20 CHED C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCCCC1 576485637 HMDUNVQTAQWSJR-DOPJRALCSA-N 296.414 3.747 30 20 CHED C=CCC1(NCc2cnc([C@@H](C)O)s2)CCCCC1 825023932 IUEMCIMGSOTDTF-GFCCVEGCSA-N 280.437 3.565 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1nnc(C)s1 823061316 AFUFVTFUADQFSU-LBPRGKRZSA-N 297.468 3.502 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1ccc(C)s1 727256555 POFCPXKUKDWAHW-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C#Cc1cccc(NC(=S)NC[C@@H]2CCCC[C@@H]2C)c1 726478337 FHMOMWCDUODOBY-ZFWWWQNUSA-N 286.444 3.781 30 20 CHED CC(C)C[C@H](C)OC(=O)N(C)Cc1cccc(C#N)c1 820785240 OODVECDCUOJZQY-ZDUSSCGKSA-N 274.364 3.561 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1cc(C#N)ccc1F 829630110 BFGGQKMCQMKLRF-UHFFFAOYSA-N 290.382 3.984 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(CN(C)C)c2)cc1 821021616 JKJFSOJMPBSIIX-QXMHVHEDSA-N 279.383 3.953 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2NCC2(C#N)CC2)cc1 584875999 LUYGCTZADQVQRM-HZPDHXFCSA-N 254.377 3.525 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C2=CCCCCC2)c1 586819148 OGPXUIHTZUDORL-UHFFFAOYSA-N 295.386 3.962 30 20 CHED C=CCOc1ccc(CNCc2ccccc2NCC)cc1 902558886 RAKXIRQKMXWGDT-UHFFFAOYSA-N 296.414 3.973 30 20 CHED C=CCN(C)Cc1csc(Nc2ccccc2C)n1 494689220 JRAIDLUPXRTZFH-UHFFFAOYSA-N 273.405 3.813 30 20 CHED CC[C@@H](N[C@@H](C)CC(F)(F)F)c1cccc(C#N)c1 902958213 XVXFJQLTTZQKMZ-GXFFZTMASA-N 270.298 3.940 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(F)c2Cl)C1 588343279 RNVPPWSJBRHMQR-AWEZNQCLSA-N 295.745 3.637 30 20 CHED CCC[C@](C)(CC)C(=O)NCC(C)(C)CCC#N 583044753 XSDBCCFHTXYIIW-HNNXBMFYSA-N 252.402 3.649 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 909288567 KLWMUDYSAJGFQJ-UHFFFAOYSA-N 289.375 3.590 30 20 CHED C=C[C@](C)(CC)c1nc([C@@H](OCC)C(C)C)no1 904121222 KJTVVSUDJLNBDN-SMDDNHRTSA-N 252.358 3.657 30 20 CHED Cc1nsc(Nc2ccc3c(cnn3C(C)C)c2)c1C#N 588820292 ROJVFJNMBVOALP-UHFFFAOYSA-N 297.387 3.997 30 20 CHED C/C(Cl)=C\C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 900633971 GZXNMMKUCHZONK-MARXPDLDSA-N 290.794 3.808 30 20 CHED CC#CCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 498605223 KYKJHNBHYQOZPW-NEPJUHHUSA-N 296.197 3.627 30 20 CHED C=CCCCCOC(=O)c1ncccc1SCC 835449634 LQJTZBQVHUIYEF-UHFFFAOYSA-N 265.378 3.707 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccccc1SC)OCC 839428749 YKJLNFBVFUORMH-ZDUSSCGKSA-N 280.389 3.685 30 20 CHED Cc1csc(C(=O)OC[C@@H](C#N)Cc2cccs2)c1 835261126 QBWKFAUZCSIDQY-LLVKDONJSA-N 291.397 3.657 30 20 CHED C=CCONC(=O)Nc1ccccc1COC(C)(C)CC 836508524 ISSFUAWQKHRBBN-UHFFFAOYSA-N 292.379 3.631 30 20 CHED C=CCc1ccccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 668531191 PSLCZSMUDXMBOH-GJZGRUSLSA-N 287.403 3.583 30 20 CHED COc1ccc(Cl)c2c1CCC[C@@H]2NCC1(C#N)CC1 903220736 NQCAJJOLCKCDMK-ZDUSSCGKSA-N 290.794 3.619 30 20 CHED CC(=NNC(=S)Nc1cccnc1)[C@H]1CCCC[C@H]1C 834922298 NZVHNAXHGBTLLF-RISCZKNCSA-N 290.436 3.570 30 20 CHED COc1ccsc1C=NN[C@H]1CCc2c(F)cccc21 835019253 ALLJJRKETRIADJ-ZDUSSCGKSA-N 290.363 3.507 30 20 CHED CC(C)(C)c1ncc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)s1 839047805 INQLORWLWLTGCJ-GHMZBOCLSA-N 292.404 3.680 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1Cc1ccc(F)cc1C#N 738341870 SMINHWRFVUSIOJ-GFCCVEGCSA-N 298.336 3.956 30 20 CHED N#CCC[C@H](C#N)CNc1ccc(N2CCCCC2)cc1 732917937 ULTRNUBNDJOLKN-OAHLLOKOSA-N 282.391 3.532 30 20 CHED CC[C@H](C)n1ncc(NC(=O)C#CC(C)(C)C)c1C1CC1 837505029 WPVHFMAZFRGCNM-LBPRGKRZSA-N 287.407 3.720 30 20 CHED C/C(=C(/F)C(=O)Nc1ccccc1O[C@@H](C)C#N)C1CC1 907261052 CLZTZPISCCQJNQ-NVRAKJRWSA-N 288.322 3.569 30 20 CHED CCN(Cc1cccc(Cl)c1)C(=O)C#CC(C)(C)C 837332659 IMDZFFPTDHZOLQ-UHFFFAOYSA-N 277.795 3.738 30 20 CHED C=C[C@H](CC)CC(=O)OCc1nc([C@H](C)SCC)no1 909526457 XYEYTQLZRLMRDN-WDEREUQCSA-N 298.408 3.529 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)C#CC(C)(C)C)c1 837364107 ANTAZZUIZZZGLP-CYBMUJFWSA-N 273.376 3.852 30 20 CHED CC[C@H](N[C@H](COC)c1ccccc1)c1cccc(C#N)c1 902867296 ZHKQPZPWPLBDMO-RBUKOAKNSA-N 294.398 3.987 30 20 CHED CCCN(C(=O)N[C@H](CCC#N)c1ccccc1)C(C)C 581319154 RRZZTFLHAXFVIH-MRXNPFEDSA-N 287.407 3.861 30 20 CHED Cc1ccc(S(=O)(=O)CCCCC(C)(C)C#N)s1 834464178 CBKBCTHTDZGOLK-UHFFFAOYSA-N 285.434 3.550 30 20 CHED CC(CCc1ccc2c(c1)OCO2)=NOCc1ccccc1 839419125 JWIOHHQJLVYDLD-UHFFFAOYSA-N 297.354 3.941 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc(Cl)cc2)c1 915979514 VUZQHKRPGOHXFZ-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(CCCCCC#N)n1 589122048 GBKPISSLSHLIPF-QWHCGFSZSA-N 261.369 3.990 30 20 CHED N#C[C@H](OC(=O)c1cnc2ccccc2c1)C1CCCCC1 838361038 GZNHXNMXRVZIHH-KRWDZBQOSA-N 294.354 3.864 30 20 CHED C[C@@H](CCc1ccccc1)OC(=O)c1cccc(CC#N)c1 919312014 RJSXJYIBTJVORM-HNNXBMFYSA-N 293.366 3.931 30 20 CHED C=C(C)CNc1ccc(C(=O)NCC(C)C)c(Cl)c1 917827070 SEIVZWMIFZOMES-UHFFFAOYSA-N 280.799 3.714 30 20 CHED COc1ccc2c(c1)CCCN([C@@H](C#N)c1ccccc1)C2 595310143 VAMYXYDFBZRKQM-IBGZPJMESA-N 292.382 3.708 30 20 CHED Fc1cccc(C=NNc2ncc(Cl)cc2Cl)c1 916317128 YTCKYHGIZBPLGG-UHFFFAOYSA-N 284.121 3.974 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc(CC(=O)O)cc1 915989933 GUEFOWLOGPDVFG-ZHACJKMWSA-N 280.323 3.518 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3CC34CCCC4)[nH]c12 747479648 OUBIQCMEJOVJAN-STQMWFEESA-N 293.370 3.628 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cncc(Cl)c1 598621086 FOBOLQUOWDPPQJ-GFCCVEGCSA-N 285.778 3.800 30 20 CHED N#C[C@H](C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2ccccc2n1 916848530 DDQBQZLUBWJHLG-TUUVXOQKSA-N 290.366 3.847 30 20 CHED CC[C@H](C#N)C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 593745436 ZOJYJGNQUYOKQV-HIFRSBDPSA-N 270.376 3.536 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H](C#N)C1 593660870 OXVACZZQFLIQJO-TXCZRRACSA-N 254.377 3.523 30 20 CHED CCCCC[C@H](NC(=O)c1cc(C#N)c[nH]1)C(C)(C)C 748313205 KCSZOHRJWXOVEK-AWEZNQCLSA-N 275.396 3.611 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCc2ccc(C#N)cc2F)c1 740348970 NUIPZSOXBRXUKK-CYBMUJFWSA-N 297.329 3.853 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccccc1C 743462626 KMFUIYHUFGUORB-KBPBESRZSA-N 262.349 3.580 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)[C@H]1c1cccnc1 596591011 RQEKYCWSQMADFV-SFHVURJKSA-N 291.398 3.731 30 20 CHED COc1ccc(CNN=C(C)c2ccccc2C)cc1 917549195 RMWKKSDSLAXOBK-UHFFFAOYSA-N 268.360 3.517 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CC[C@@H]2c2ccccc2)n1 596499305 RHHLBOSUXAGSQX-HZPDHXFCSA-N 263.344 3.620 30 20 CHED C=C(Br)COC(=O)/C=C(\C)c1ccccc1 919553514 PLWIIVONXIIHGH-CSKARUKUSA-N 281.149 3.542 30 20 CHED N#Cc1ccc(CN(Cc2cc(C3CC3)no2)C2CC2)cc1 595296935 ONHRRIZGBHGPLN-UHFFFAOYSA-N 293.370 3.588 30 20 CHED C=C(Cl)COC(=O)Cc1csc2ccccc12 917284774 LSQDZQXTEVPLKD-UHFFFAOYSA-N 266.749 3.740 30 20 CHED C=CCC[C@@H](CCC)N[C@H]1CCN(C2CCCCC2)C1=O 678601604 ZWBRUKLOWXBOKR-WBVHZDCISA-N 292.467 3.645 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)nn1)[C@@H]1CC1(C)C 841633035 MSNXUHIZDCJQJY-QMMMGPOBSA-N 286.301 3.719 30 20 CHED C=CCCC(=NNc1nc2ccccc2[nH]1)C1CC1 747740814 OLOIHTXZKXCQNR-UHFFFAOYSA-N 254.337 3.707 30 20 CHED CCCC[C@@H](C(=O)NCC(C)(C)CCC#N)C(C)C 598735015 HFXIYIKVSBMADH-CQSZACIVSA-N 266.429 3.895 30 20 CHED CCCCCCCCCCC(=O)N1CCc2n[nH]cc2C1 743901484 KZQDJYJFZQLTFU-UHFFFAOYSA-N 291.439 3.825 30 20 CHED C[C@H](CC#N)OC(=O)CCc1c(Cl)cccc1Cl 847647212 INKGBJINKWFDSO-SECBINFHSA-N 286.158 3.771 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC2(CC1)CC2(F)F 593076475 JNZBAYYOOMWWCP-LBPRGKRZSA-N 276.330 3.740 30 20 CHED COC(=O)Cc1ccc(NN=C(C)CCC=C(C)C)cc1 844605139 AVFFVRQXIWWWKM-UHFFFAOYSA-N 288.391 3.936 30 20 CHED C=CCOc1ccccc1C(=O)Oc1ccc(OCC)cc1 914163823 BATBYCWDQRJVLT-UHFFFAOYSA-N 298.338 3.869 30 20 CHED CCCC(=NNCCC(F)(F)F)[C@@H]1CC1(C)C 841636052 KBMPWXNBJXPLHR-VIFPVBQESA-N 250.308 3.731 30 20 CHED C=C(C)CCOC(=O)CCCOc1ccccc1C 744305265 WIXVLHYVAHHYKT-UHFFFAOYSA-N 262.349 3.663 30 20 CHED C[C@@H](NC(=O)/C=C\C1CCCCC1)c1cccc(C#N)c1 743776957 LHJPORFOVVRWAD-IWMPZKFUSA-N 282.387 3.872 30 20 CHED C=CCC(CC=C)C(=O)OCCc1noc2ccccc12 847771364 ZOCNHPHLTKQYJG-UHFFFAOYSA-N 285.343 3.682 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)s1 749614995 KURCUPQAPCWEPI-BRLPQQTGSA-N 296.823 3.859 30 20 CHED CO[C@@H](C#N)c1ccc(-c2ccc(CN(C)C)c(F)c2)cc1 844230375 WQIDRFDYPCTWAP-SFHVURJKSA-N 298.361 3.765 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)CCC1 683064375 KSMZUYFYACJTMU-RYUDHWBXSA-N 289.341 3.922 30 20 CHED CC[C@H](C#N)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 593437225 OYPBYKLRWDOZFV-SECBINFHSA-N 299.201 3.894 30 20 CHED CCC[C@@H](C(=O)N(C)C[C@H](C)C#N)c1cccc(Cl)c1 599140709 AAVZFZLMNVEIDH-IUODEOHRSA-N 292.810 3.842 30 20 CHED N#CC1(c2nc(C3(c4cccc(F)c4)CC3)no2)CCCC1 599173910 JZXVAHLRVNAICP-UHFFFAOYSA-N 297.333 3.624 30 20 CHED N#CCC[C@@H](NC(=O)C=C1CCCC1)c1ccccc1 749046464 WLXRCSCKRWTKRU-MRXNPFEDSA-N 268.360 3.648 30 20 CHED C=C(C)[C@H](N[C@H](C)CCCCO)c1ccc(F)c(F)c1 681401453 UWZBJDZZEQVPNP-WBMJQRKESA-N 283.362 3.723 30 20 CHED CCCN(C(=O)[C@@H](C#N)CC)c1ccc(CC)cc1 846238846 FVBKIVYVQOAKFG-CQSZACIVSA-N 258.365 3.542 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(OC)cc1 595057819 XMFDLAGYQJYCMK-LJQANCHMSA-N 294.398 3.850 30 20 CHED CCCCC[C@@H](C)CC(=O)N(CCC#N)CC(C)C 742590572 TWWZWTUBWUOTRI-OAHLLOKOSA-N 266.429 3.991 30 20 CHED N#CCc1ccccc1C(=O)OCCC1(C#N)CCCCC1 840196767 OGNRETWWXNHDDE-UHFFFAOYSA-N 296.370 3.774 30 20 CHED C=C(Cl)COC(=O)c1cc(Oc2ccccc2)ccn1 745763459 PAZHZMVJYWAZEC-UHFFFAOYSA-N 289.718 3.783 30 20 CHED Cc1cccc2c1CCN(c1nc3ccccc3cc1C#N)C2 750027637 QBPGWJKMJFOMQR-UHFFFAOYSA-N 299.377 3.978 30 20 CHED CCCCCCCCNC(=O)NCCc1nc(C)cs1 754846133 DXSHEYHYJFGKPT-UHFFFAOYSA-N 297.468 3.654 30 20 CHED Fc1ccc(-c2ccc(C=NO[C@@H]3CCCCO3)o2)cc1 755822833 ONOJAQHWIJDJEX-MRXNPFEDSA-N 289.306 3.963 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 920385783 HFLAPDNSELCUCG-GFCCVEGCSA-N 283.331 3.670 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC[C@H]2CC2(Cl)Cl)c1 854892069 OXDSAFJETXTYHP-NSHDSACASA-N 297.185 3.779 30 20 CHED C=C(C)[C@H](CC(=O)OCCOC1CCCCCC1)OCC 756468591 BWBCVOVTPRUALG-INIZCTEOSA-N 298.423 3.640 30 20 CHED O=[N+]([O-])c1cccc(NN=C[C@H]2C[C@H]2c2ccccc2)c1 755481700 OOWMPTNPDSYFNY-CJNGLKHVSA-N 281.315 3.796 30 20 CHED C=CCNc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 756813281 QOIFWBYKYUGWNE-UHFFFAOYSA-N 288.391 3.578 30 20 CHED FC(F)(F)c1ccccc1C=NN=c1cc[nH]cc1Cl 756841863 AOPZEPIDXLZVTQ-UHFFFAOYSA-N 299.683 3.622 30 20 CHED C#CCCCCNCc1ccc(N(CC)CC)c(F)c1 758498083 ZPMFENXCHKGJEX-UHFFFAOYSA-N 276.399 3.565 30 20 CHED C#CC[C@@H](NC(=O)N(C)Cc1cccs1)c1ccccc1 757058303 QDUAYVQQGZAKPY-MRXNPFEDSA-N 298.411 3.654 30 20 CHED C[C@H](C=NNCc1ccc(C#N)cc1)c1ccc(F)cc1 756895791 WLWLCGDGCRHJBR-CYBMUJFWSA-N 281.334 3.576 30 20 CHED CCC[C@@H](C)C(CC)=Nn1cc(Br)cn1 752745374 AYDWYJPOVXSKRQ-SECBINFHSA-N 272.190 3.696 30 20 CHED Cc1cccc(C)c1C=NNc1ncnc2ccsc12 755798164 QWBXRFJTEMLSMG-UHFFFAOYSA-N 282.372 3.754 30 20 CHED C=CCC1(NCc2ccc(O[C@@H](C)C#N)cc2)CCCC1 850388900 OYFBZFJVBMFDEI-HNNXBMFYSA-N 284.403 3.956 30 20 CHED CCCCCCCn1nc(C)c([C@@H]2CCCC(=O)N2)c1C 853721243 CZRTVGDPVXTQJN-HNNXBMFYSA-N 291.439 3.812 30 20 CHED C[C@H]1CCCCN1N=Cc1ccc(OCC(F)F)cc1 853381057 WCQVHWLTRNIPPG-LBPRGKRZSA-N 282.334 3.539 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc(C(C)=O)o1 851142918 HKKJDNKRXSPIAR-JSGCOSHPSA-N 276.332 3.774 30 20 CHED CCCCCCCC(=O)NCCc1ccc(C#N)cc1 855226522 YYNMISUBSZIDKN-UHFFFAOYSA-N 272.392 3.577 30 20 CHED C#CCNc1cccc(COc2ccccc2)c1C 754316100 ZJLVNEFLJGHHPA-UHFFFAOYSA-N 251.329 3.619 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2cc(C#N)ccc2C)s1 930513673 POSILAROBPSNJA-LBPRGKRZSA-N 284.384 3.728 30 20 CHED COc1cc(C)c(C=NNc2cccc(C)c2)cc1OC 751517777 WNXHTYJFLLEDRB-UHFFFAOYSA-N 284.359 3.767 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(CN(CC)CC)cs1 930476900 ONPYLUGRMLRCQS-GFCCVEGCSA-N 295.452 3.526 30 20 CHED CC#CCCCC(=O)N(CC)c1ccc(Cl)cc1 767057068 BUHNCPLWFTUEOL-UHFFFAOYSA-N 263.768 3.887 30 20 CHED CCCCCCC[C@@H](C)CNC(=S)NCc1ccon1 764455055 MQRRWMRDYHHFSI-CYBMUJFWSA-N 297.468 3.635 30 20 CHED N#Cc1ccc(CN[C@H]2CSCCc3ccccc32)cc1 765013538 HUNSLVHVEDCICG-SFHVURJKSA-N 294.423 3.678 30 20 CHED CCCC[C@H](CCC)OC(=O)C1(C#N)CC(C)C1 767423588 NQBQEPBVKCWVAG-OWYJLGKBSA-N 251.370 3.828 30 20 CHED CCC(=NNc1cnn(C)c1)c1ccc(Cl)c(Cl)c1 761870983 WSUDRXJLGJPAAA-UHFFFAOYSA-N 297.189 3.953 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)NCC(C)(C)C#N 935320021 IFUNXSIPAWQNKO-UHFFFAOYSA-N 292.382 3.942 30 20 CHED CCCCCCC[S@@](=O)c1ccc(OC)cc1 764546617 FNVACIWGCYJGLU-QGZVFWFLSA-N 254.395 3.773 30 20 CHED CCC(=O)c1ccc(C(=O)OCc2ccccc2C#N)cc1 761515882 JNWLFZPAYSGPFX-UHFFFAOYSA-N 293.322 3.508 30 20 CHED CCOc1ccc(O)c(C=Nc2cccc(OC)c2F)c1 769718455 NMYHRYATESFDEO-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)C(C)C 1436707299 UIXNUHBSZMENAM-OAHLLOKOSA-N 258.365 3.878 30 20 CHED CC#CCCOc1ccc2c(CCC)cc(=O)oc2c1 764936012 VKHNJMQPWWPKJK-UHFFFAOYSA-N 270.328 3.538 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 768542730 AFOOZKKZULIFBZ-MELADBBJSA-N 263.381 3.686 30 20 CHED CN(Cc1ccc2ccc(Cl)cc2n1)CC(C)(C)C#N 878650275 JFGJIIGGOHIBKA-UHFFFAOYSA-N 287.794 3.870 30 20 CHED C#CC[C@H](NC(=O)N[C@H](C)CCC1CC1)c1ccccc1 768948572 YQDMRWJJMCMZJM-PBHICJAKSA-N 284.403 3.629 30 20 CHED C(=NNCCCOc1ccccc1)c1ccc2c(c1)CCC2 1116156692 UUJQVOPNIQDYDF-UHFFFAOYSA-N 294.398 3.568 30 20 CHED C[C@H](CCc1cccc(F)c1)C(=O)OCCC(C)(C)C#N 776389752 AECSGHUADYIOCT-CYBMUJFWSA-N 291.366 3.877 30 20 CHED O=C(/C=C/c1c(F)cccc1Cl)c1cc(O)ccc1O 776189245 CKCNNVDGCIVWPF-FNORWQNLSA-N 292.693 3.786 30 20 CHED C[C@@H](CCCc1cccnc1)Nc1ccc(OCC#N)cc1 1117778998 CWNQCLQCOCAOKA-HNNXBMFYSA-N 295.386 3.807 30 20 CHED C=CC[C@H](C(=O)OCCCC(=O)CC)c1ccccc1 778427379 LUHSOKVKVDLAJE-INIZCTEOSA-N 274.360 3.649 30 20 CHED C#CCCCCCC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 779918758 XTQKLLBUILUJOK-GJZGRUSLSA-N 263.425 3.996 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc(F)c(Cl)c1 773159977 JMPWPFCIKRZRTE-LFYBBSHMSA-N 298.704 3.843 30 20 CHED O=C(O)c1ccc(NN=Cc2cc(F)cc(Cl)c2)cc1 776721564 GYDCRHDCPGYHID-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Cc1ncc(CCNc2nc3ccccc3cc2C#N)s1 771921488 HJSMYMLYLRYVRU-UHFFFAOYSA-N 294.383 3.526 30 20 CHED N#Cc1ccc2nc(NC[C@@H]3CC3(Cl)Cl)ccc2c1 771639386 HVQGWKDNIUHXQJ-NSHDSACASA-N 292.169 3.712 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@@H](O)c1ccc(Cl)cc1 776014615 ALJFLIFCUVCXQP-IUODEOHRSA-N 295.810 3.625 30 20 CHED C#CCOc1cccc(Cl)c1CNc1cccc(C)n1 777732798 QYCCJINWHUMVMK-UHFFFAOYSA-N 286.762 3.668 30 20 CHED Cc1c(F)cccc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 1126527417 NTPHPMDRMSDPII-GFCCVEGCSA-N 296.345 3.823 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(F)ccc1C)CO2 777914545 ABDZZFLYEMVUJN-QPEQYQDCSA-N 298.313 3.801 30 20 CHED CCOc1cccc(C(=O)O[C@H](C#N)C2CCCCC2)c1 776380330 HTTXNPXBJIVRJU-MRXNPFEDSA-N 287.359 3.715 30 20 CHED CCCCCCCCNC(=O)N(C)C[C@H]1CCCC[C@H]1O 779371130 DYRZFESZYKDJGJ-HZPDHXFCSA-N 298.471 3.539 30 20 CHED CCC(CC)n1ccc(CON=Cc2ccccc2F)n1 771178093 DPLHBNPBLBHPSX-UHFFFAOYSA-N 289.354 3.934 30 20 CHED CC[C@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H]1C 1559770077 YBWKNCKESOAETQ-AAEUAGOBSA-N 262.784 3.832 30 20 CHED CCC[C@H](C=NOC[C@H]1CCOC1)c1ccccc1 788037498 WDYWMJQALDEBDA-GOEBONIOSA-N 261.365 3.609 30 20 CHED C[C@H](N[C@H]1CCc2ccc(Cl)nc21)c1cccc(C#N)c1 788610853 MOAQKEJJOPLEMF-NHYWBVRUSA-N 297.789 3.945 30 20 CHED Cc1cccc(CN(C)C(=O)[C@H](CC#N)c2ccccc2)c1 1124924019 NEQREZQTAQFQKP-GOSISDBHSA-N 292.382 3.651 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C2CC=CC2)n1CC 1121856117 OZPXLHAULXDQQN-OAHLLOKOSA-N 286.423 3.667 30 20 CHED CC[C@H](C)[C@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 780381381 JYQSZMWOSKOVRG-DRZSPHRISA-N 283.375 3.730 30 20 CHED Fc1cc(NN=Cc2cnc(C3CCCC3)s2)ccn1 781132437 LXDWNDNVQRWGCQ-UHFFFAOYSA-N 290.367 3.781 30 20 CHED Cc1cccc2c1OC/C(=C/c1scnc1C1CC1)C2=O 782331769 XUYZFICFXUPKCY-GHXNOFRVSA-N 297.379 3.988 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccc3c(=O)[nH]ccc3c2)C1 789084685 BPDQLXONVIRFJT-CHWSQXEVSA-N 283.375 3.752 30 20 CHED N#CCCN(Cc1ccc(F)c(Cl)c1)CC1CC1 93091339 MKGOAHNSNZCLQU-UHFFFAOYSA-N 266.747 3.605 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccc2c(c1)COC2 782342220 PFVUWXPIYFUMEP-WAYWQWQTSA-N 297.379 3.947 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1 782193747 HSCVFKBXLOSDDW-PLNGDYQASA-N 298.729 3.533 30 20 CHED CCc1ccc(C=NNc2ccc(C#N)c(Cl)c2)o1 783881167 SCQIVJBYTSDMMO-UHFFFAOYSA-N 273.723 3.813 30 20 CHED CCc1onc(C)c1/C=C1\Cc2c(C)cccc2C1=O 899352797 DKAHLIJLXLOCCM-FMIVXFBMSA-N 267.328 3.676 30 20 CHED N#Cc1cccc(C2(NC[C@@H]3CCc4ccccc43)CC2)c1 780313957 UNPPTOSJIOTVND-KRWDZBQOSA-N 288.394 3.867 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)c2ncc(C#N)cc2Cl)C1 78579532 LUBQHUQRDSVFNJ-VXGBXAGGSA-N 295.839 3.717 30 20 CHED C=CCCCCCOC(=O)c1oc2ccccc2c1CO 783354564 LVGXQVFBIBINPD-UHFFFAOYSA-N 288.343 3.828 30 20 CHED c1ccc(C2CCC(=NOC[C@H]3CCOC3)CC2)cc1 788033654 JYKQOOMXZFZDKS-LBAUFKAWSA-N 273.376 3.753 30 20 CHED C#Cc1cccc(NC(=O)c2cccc3c2OCC3(C)C)c1 788736343 WLVBIIRTOWFGKV-UHFFFAOYSA-N 291.350 3.590 30 20 CHED C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 786448989 LHLCYKANRFGGRE-SZEHBUNVSA-N 290.775 3.782 30 20 CHED CC(C)(C#N)CC(=O)OC/C=C/c1ccc(Cl)cc1 785077816 MMLXVPNUBCSDQS-ONEGZZNKSA-N 277.751 3.836 30 20 CHED C#CCC1(C(=O)NCC[C@H](OCC)C(C)C)CCCCC1 788226534 BORDMJIFMRZYHR-INIZCTEOSA-N 293.451 3.528 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1cnn(-c2ccccc2)c1C 793113715 BTBKUAPEIZMHSL-HNNXBMFYSA-N 298.434 3.929 30 20 CHED C=CCN(CC=C)CCSc1ccccc1F 674709123 BDCJOCHFKWUSTC-UHFFFAOYSA-N 251.370 3.592 30 20 CHED C=CCOC(=O)CCC(=O)c1ccc2ccccc2c1 792496752 KSGSLXOCCGOVNR-UHFFFAOYSA-N 268.312 3.532 30 20 CHED CC(C)OC(=O)CC[C@@H](C)/N=C/c1cc(Cl)ccc1O 794833184 LUWJHQLLKJYAAC-LBFZPMSMSA-N 297.782 3.585 30 20 CHED CCCCCCCCNC(=O)Cc1c(C)nn(CC)c1C 794405180 UHNOJMQLCLSGFU-UHFFFAOYSA-N 293.455 3.539 30 20 CHED Cc1sc(Cl)nc1C(=O)O[C@@H](C)CC(C)(C)C#N 893177611 AAALAVIPUAJMGI-ZETCQYMHSA-N 286.784 3.590 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1cc(C)c(C)o1 799878230 SAWCDPXYQVJAPR-UHFFFAOYSA-N 286.335 3.716 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)c(C)c1 187513287 JQOAKHUXPXYUQG-UHFFFAOYSA-N 272.392 3.848 30 20 CHED C[C@H](NN=C1CCCC12CCOCC2)c1ccccc1 799877110 NHCVPFXYXRQLDK-AWEZNQCLSA-N 272.392 3.674 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1cccc(OCC#N)c1 793087145 FDLUEXYEIFHQNL-XJKSGUPXSA-N 286.375 3.744 30 20 CHED Cc1ccc(-c2nc(Cc3cccs3)no2)cc1C#N 799760544 LDEVZZIHLCOYEU-UHFFFAOYSA-N 281.340 3.569 30 20 CHED CCCCCCCN1CCC[C@H]1CN1CCCC1 740876902 NJIZDQJGAUGIJI-INIZCTEOSA-N 252.446 3.517 30 20 CHED C=CCC1(C(=O)OCc2c(F)cccc2F)CCC1 791555650 JQQPTLKIAQNYQT-UHFFFAOYSA-N 266.287 3.754 30 20 CHED CCOc1cccc(/C=N/CCCc2cccc(C)n2)c1O 794678513 CKIMZAHPJQDOLP-CPNJWEJPSA-N 298.386 3.546 30 20 CHED CCCC[C@@H](C)C(=O)OCc1ccc(C#N)cc1C 799972428 AQPRRECBUCXFJJ-GFCCVEGCSA-N 259.349 3.736 30 20 CHED FCC[C@H]1CCCC1=NNCc1ccc(F)c(F)c1 794895008 AUXRKIWQUSYDJP-LLVKDONJSA-N 270.298 3.570 30 20 CHED Fc1cccc(NN=Cc2nc(-c3ccccc3)cs2)n1 795007020 OFMQVVOYVJHRCC-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CCCOc1cc(C=NNc2ncccc2C)ccc1OC 790185108 GGADTLNTRYCXDS-UHFFFAOYSA-N 299.374 3.633 30 20 CHED CCCCCCCCN[C@@]1(CO)CCOc2ccccc21 799338167 XOJJEVZKNLLVAM-GOSISDBHSA-N 291.435 3.607 30 20 CHED Cc1csc([C@H](C#N)C(=O)C(C2CCC2)C2CCC2)n1 796739301 QNNZSOKAGDWAPV-CYBMUJFWSA-N 288.416 3.844 30 20 CHED N#Cc1ccc(CCN2CCC3(CCCC3)CC2)cc1 1208925956 ZTSSTJLVJVDLNF-UHFFFAOYSA-N 268.404 3.757 30 20 CHED CCC(COC)=NNc1ccc(OC)cc1C(F)(F)F 793111541 ISFUGUPSRZFCAA-UHFFFAOYSA-N 290.285 3.538 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 664334130 VPPSVIZVUWSBAO-CQSZACIVSA-N 258.365 3.815 30 20 CHED Brc1cscc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 794922697 VEFNLWAVPIWBOZ-AUTRQRHGSA-N 299.237 3.623 30 20 CHED CC(C)(C#N)CCCCN(Cc1ccoc1)C1CC1 723740436 BWPCBWRGWAQYFB-UHFFFAOYSA-N 260.381 3.964 30 20 CHED C#CCN(Cc1csc(C2CCCCC2)n1)C1CC1 763948645 DIIZWUFPCUAVBO-UHFFFAOYSA-N 274.433 3.788 30 20 CHED Cc1cc(COc2ccc(C=O)cc2Cl)ccc1C#N 783027663 IMFIFKHUQZTJDI-UHFFFAOYSA-N 285.730 3.912 30 20 CHED N#Cc1ccc(Sc2nc3cc(F)ccc3s2)nc1 1164120476 UJIJDNJGQMMPQH-UHFFFAOYSA-N 287.344 3.853 30 20 CHED CCOc1ccc(CN(C)c2ccc(C#N)cc2)cc1OC 1317745631 SOSZWXHWJPTJAD-UHFFFAOYSA-N 296.370 3.602 30 20 CHED Cn1ccc2ccc(NC(=O)CC#Cc3ccccc3)cc21 1320629262 FRZYKAMUXXKXFZ-UHFFFAOYSA-N 288.350 3.559 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1ccc(Cl)c(F)c1 1326750487 QXZCXZWUEZVMMM-JTQLQIEISA-N 281.758 3.706 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)c1cccc(C#N)c1C 1321259268 NPFAETUQBUTFRB-GOSISDBHSA-N 290.366 3.592 30 20 CHED C=C[C@@H](COC)NC(=O)Nc1ccccc1-c1ccccc1 1320302590 JQFHONTYPAORNL-HNNXBMFYSA-N 296.370 3.676 30 20 CHED CC(C)(CC#N)CSCC(=O)OC1CCCCC1 1327549272 DAOYLULOXDTBQH-UHFFFAOYSA-N 269.410 3.535 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H]2CCCC[C@H]2C1 1322569780 GOWCFCFPQISVEO-ILXRZTDVSA-N 264.413 3.563 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 1665578603 DITPLNCDCLGXIZ-CYBMUJFWSA-N 271.364 3.506 30 20 CHED C=C1CN(C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)C1 1334745960 CGJUFTFFYSPVHG-UHFFFAOYSA-N 299.374 3.820 30 20 CHED N#CC[C@@H]1CCCN(c2c(F)cccc2C(F)(F)F)C1 1262371700 UITFRYYWWHQKKU-JTQLQIEISA-N 286.272 3.975 30 20 CHED Cc1cc(-c2nnc(-c3cccc(C#N)c3)o2)sc1C 1341640588 PXIBMUAVHBLXPU-UHFFFAOYSA-N 281.340 3.954 30 20 CHED CCS[C@H](C(=O)O[C@@H](CC#N)c1ccco1)C(C)C 1263660258 ANICWBSTWQQAQF-STQMWFEESA-N 281.377 3.555 30 20 CHED COc1cc(NC(=O)CC2=CCCCC2)c(F)cc1C#N 1262102369 IZLKMAYADJKEQO-UHFFFAOYSA-N 288.322 3.535 30 20 CHED C#CC[C@@H](CC)c1nnc(N2CCC[C@H]2CCC)n1CC 1340701923 NOYIHVOMTQCSEI-HUUCEWRRSA-N 288.439 3.584 30 20 CHED N#Cc1ccc2nc(NCCCC(F)F)ccc2c1 1352077361 PTVVYBLTDDWDGF-UHFFFAOYSA-N 261.275 3.564 30 20 CHED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1C[C@H]1F 1350885946 YJRVSOUHXIDFPO-VXGBXAGGSA-N 286.331 3.583 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc(F)cc2)CCC1 1355057648 GKLBSKGADLRMJC-GFCCVEGCSA-N 261.340 3.749 30 20 CHED CCCCCCCCC(=O)NCc1nc(C)c(C)o1 1350474494 ONQVBTMPPCQRDO-UHFFFAOYSA-N 266.385 3.658 30 20 CHED N#CCCCCN(Cc1ccccc1)CC1CCOCC1 111261599 WZFRHUKSVBMDMR-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C[C@H](CC(=O)Nc1ccc(Cl)cc1C#N)c1ccncc1 1528632682 WWIAIIOOHDJNIJ-LLVKDONJSA-N 299.761 3.739 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)cc1C#N 1529276551 NZIBPZGBXONEKP-MLGOLLRUSA-N 270.376 3.565 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 1459267198 IZTWBSJQBVJMIO-QLFBSQMISA-N 278.440 3.990 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(C2CCCCC2)c(C)s1 1298164530 QRPDGVYFVVBUBQ-LLVKDONJSA-N 291.420 3.988 30 20 CHED CC[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)C1CCCC1 1525704099 MLBQJHAFRNNDHI-IAGOWNOFSA-N 284.403 3.769 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1c(F)cccc1Cl 1522284264 XXMVSMUSRQRNIB-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1sccc1C#N 1466984580 SNCHZKNQITVRPM-UHFFFAOYSA-N 285.372 3.592 30 20 CHED C=C(C)CCSc1c(Cl)cccc1-c1nn[nH]n1 1602758888 SZPIOLCFPPGRIO-UHFFFAOYSA-N 280.784 3.578 30 20 CHED CCC[C@@H](CC)Nc1ncc(C#N)cc1Br 1611906057 UJHHMDABGIJORK-SNVBAGLBSA-N 282.185 3.706 30 20 CHED C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)c1cccs1 1476715240 OQQPSLHSBUWYJG-SECBINFHSA-N 289.335 3.642 30 20 CHED Cc1ccnc(NC[C@@H]2CCC[C@H](C)[C@H]2C)c1C#N 1612321951 NNBMVTFYJZUGHF-YUTCNCBUSA-N 257.381 3.746 30 20 CHED N#Cc1nccnc1NC[C@H]1CCCC[C@@H]1c1ccccc1 1612384582 ILYSBHXXTDDYBI-HZPDHXFCSA-N 292.386 3.734 30 20 CHED COc1ccc([C@H](C)Sc2ccncc2C#N)cc1 1611872353 HMFDZXQUCDIHOG-NSHDSACASA-N 270.357 3.815 30 20 CHED N#Cc1c(Cl)nc2cc(F)c(F)cc2c1Cl 521399214 SVYWEFZSTPPOQN-UHFFFAOYSA-N 259.042 3.691 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2ccc(C#N)c(C)n2)c1 1559119587 PPEKXCMXRJLLMD-AWEZNQCLSA-N 279.387 3.922 30 20 CHED CC[C@@H]1CCC[C@@H]1Nc1nc(C#N)c(Cl)s1 1642442202 XYXOEXPKDXWIRN-SFYZADRCSA-N 255.774 3.659 30 20 CHED N#Cc1cc(=NCC(c2ccccc2)c2ccccc2)cc[nH]1 1641965251 LLXIIBTYJNATLF-UHFFFAOYSA-N 299.377 3.619 30 20 CHED Cc1cccc(Cc2noc(-c3ccc(C#N)s3)n2)c1 230995861 VJPAZDGDRILQEG-UHFFFAOYSA-N 281.340 3.569 30 20 CHED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)CC(=O)O 1588886579 MYICKVMGVMFOHM-GFCCVEGCSA-N 289.375 3.588 30 20 CHED C[C@H]1CC[C@@H](C)C[C@H]1NCc1cc(C#N)ccc1F 1665663017 UVOYMMLBSUVTQZ-BFQNTYOBSA-N 260.356 3.612 30 20 CHED CC(CC(C)(C)CC(=O)O)=NNc1ccc2ccccc2n1 1592444080 IYUGTFAQKPAMQQ-UHFFFAOYSA-N 299.374 3.914 30 20 CHED CC(C)c1nc(COc2ccc(C#N)cc2F)cs1 134312198 QBTDPBRXJNKNOD-UHFFFAOYSA-N 276.336 3.856 30 20 CHED CC(C)(CNc1nccc(C#N)c1Cl)c1ccccc1 232520335 QSZMVQFLJLGAEH-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)cn1)c1ccc(C)cc1 1673452270 MJQXBTKLIBGJBP-HNNXBMFYSA-N 294.358 3.535 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@H](C)c2cccc(F)c2)C1 1776153528 IJOJFYVTSQLRQR-DYVFJYSZSA-N 291.366 3.630 30 20 CHED C=CCc1cccc(CN2CCC[C@](CC=C)(C(=O)O)C2)c1 1776187181 MNVDZYZXVNFDBN-IBGZPJMESA-N 299.414 3.658 30 20 CHED C=CC[C@@H](NCc1ccc(-c2cccs2)cc1)C(=O)O 1776152249 HATJWHOCIGKRSY-CQSZACIVSA-N 287.384 3.534 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@H]2CCCc3ccccc32)C1 1776154636 OOIVXHMQKSBCMF-PKOBYXMFSA-N 299.414 3.807 30 20 CHED C=CCN(C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 161465577 OGGSHSKREYGQPE-JTQLQIEISA-N 286.202 3.816 30 20 CHED Cc1ccc(C)c(OC[C@H](O)c2ccc(C#N)cc2)c1C 152898216 RRRZIASKPONWKO-KRWDZBQOSA-N 281.355 3.596 30 20 CHED C=CCC[C@H](CCC)NC1CCN(CC(=C)C)CC1 153053714 DYJJVALQGIRGGC-INIZCTEOSA-N 264.457 3.751 30 20 CHED CCCCCCCC(=O)Nc1ccnn1CC1CC1 159665971 AZFZDXDFTFHPGG-UHFFFAOYSA-N 263.385 3.592 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1 208310114 QNRUDIPEPZUMBO-WDZFZDKYSA-N 277.323 3.853 30 20 CHED N#Cc1ccc(NC[C@H]2CCCS2)cc1C(F)(F)F 125674105 JRMKLVPXFYOLAK-LLVKDONJSA-N 286.322 3.885 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cc(Br)cs1 903032477 JCBIIVAGUZAXRL-SECBINFHSA-N 299.237 3.855 30 20 CHED COc1ccc(C#N)cc1CSc1ccc(O)cc1 129277319 NAVVOIJHYQUZSL-UHFFFAOYSA-N 271.341 3.565 30 20 CHED N#Cc1ccc(CNCc2ccccc2C(F)(F)F)s1 135688311 KLFXINPRDYIXLD-UHFFFAOYSA-N 296.317 3.928 30 20 CHED CCc1cc(C(=O)Nc2ccc(C#N)c(F)c2)sc1C 464647302 DVEBYQDVPCQTAL-UHFFFAOYSA-N 288.347 3.882 30 20 CHED Cc1nc(C#N)cc(SCc2ccc(Cl)cc2)n1 308281045 KRKZLGKWRFGQPR-UHFFFAOYSA-N 275.764 3.602 30 20 CHED C[C@@H](NCC=C(Cl)Cl)c1ccc(C#N)cc1 403395619 SVGXHGAMLOVABQ-SECBINFHSA-N 255.148 3.528 30 20 CHED CC(C)(C#N)CCCCN1CCC(C(F)F)CC1 310600386 PEYOEYOFIUFDAF-UHFFFAOYSA-N 258.356 3.684 30 20 CHED N#Cc1cccc(CNc2cccc(F)c2Cl)c1 568559610 AOHAUNNGUUADKL-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)cc2C#N)c(C)s1 610577666 AMLKWRLHJDTCGY-UHFFFAOYSA-N 274.320 3.628 30 20 CHED N#Cc1cccc(CCNc2cc(Cl)ccc2C#N)c1 619589688 JUQWKPNLMKJEPL-UHFFFAOYSA-N 281.746 3.738 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1CF 338810440 ZWEJKBYUYQMBCT-LLVKDONJSA-N 272.245 3.515 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC23CCCC3)c1F 358999507 ILUPKHOPWBBNJQ-CQSZACIVSA-N 258.340 3.510 30 20 CHED N#Cc1cccc(N2CCC[C@H](C3CCCCC3)C2)n1 708373732 JOBGSLXKIQGHBG-HNNXBMFYSA-N 269.392 3.750 30 20 CHED CCCC1(CNCc2ccc(C#N)c(OC)c2)CCC1 391999308 YBVKKWHAUREXQG-UHFFFAOYSA-N 272.392 3.627 30 20 CHED C[C@@H](c1nc2ccccc2s1)N(C)CC1(C#N)CCC1 450505727 DVHBVNJTWBVDSA-LBPRGKRZSA-N 285.416 3.983 30 20 CHED CC1(C)C[C@@H](CNc2cccc(Cl)c2C#N)CCO1 413338830 PFBVBVKAIMUDRP-NSHDSACASA-N 278.783 3.829 30 20 CHED CC[C@@H](CC#N)NCc1c(Cl)cccc1Cl 54182589 LWGPCTYVYCYVFC-VIFPVBQESA-N 257.164 3.775 30 20 CHED C=CCN(Cc1cccs1)Cc1ccc(C#N)s1 119940723 DTJKQYAHJDQOJM-UHFFFAOYSA-N 274.414 3.869 30 20 CHED C[C@@H](Sc1ccc2ccccc2c1)C(=O)N(C)CCC#N 52440242 AVXLGGUBTDOLJS-CYBMUJFWSA-N 298.411 3.692 30 20 CHED CCN(Cc1cc(OC)ccn1)[C@@H](C)c1ccc(C#N)cc1 106933741 HPRGDKIKBOKSGP-AWEZNQCLSA-N 295.386 3.545 30 20 CHED C=CCCCn1cnc2c(Cl)cc(Cl)cc2c1=O 117545661 QWMJQILHPUEFMU-UHFFFAOYSA-N 283.158 3.670 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cc(Cl)cc(Cl)c2)C1 179947726 CDVRSWAVXRGKGU-PRHODGIISA-N 284.142 3.842 30 20 CHED C#Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2C)c1 23901674 BEKYOWDTIIVBBL-UHFFFAOYSA-N 298.773 3.680 30 20 CHED N#Cc1nc(NCCc2c(F)cccc2F)ccc1Cl 301183108 RHDWOKBHBAGKLH-UHFFFAOYSA-N 293.704 3.539 30 20 CHED C#CCCOc1ccc(CNc2ccc(OC)cc2)cc1 113325558 MUWBTLGZULTGOT-UHFFFAOYSA-N 281.355 3.709 30 20 CHED CC(C)CCN(C)C(=O)N[C@H](CCC#N)c1ccccc1 178821998 LGQQVOGUXYCLJE-MRXNPFEDSA-N 287.407 3.719 30 20 CHED N#Cc1cccc(C#N)c1Oc1cccc(Cl)c1 302864264 XLGRCWIKJSNUHV-UHFFFAOYSA-N 254.676 3.876 30 20 CHED Cc1cc(CCCC(=O)NC2(C#N)CCCC2)c(C)s1 175378443 QOQMVTMTESMKPV-UHFFFAOYSA-N 290.432 3.640 30 20 CHED C=C(Cl)COc1cc(Cl)cnc1Br 307754250 YPHXOEAJDGYITI-UHFFFAOYSA-N 282.952 3.629 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccccc2C)cc1 113312882 YALVISRDTKVMRV-MRXNPFEDSA-N 279.383 3.858 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2csc(CC(C)C)n2)c1 1275788602 VCKBARSZMDBJLJ-UHFFFAOYSA-N 299.399 3.774 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc(-c2ccccc2F)o1 113694205 AEIQCMVKBXTHDD-SNVBAGLBSA-N 273.263 3.545 30 20 CHED CC(C)C1(CNCc2ccc(O[C@@H](C)C#N)cc2)CC1 175802169 ULNGGFUIYWAZDT-AWEZNQCLSA-N 272.392 3.503 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(CC)[C@H](C#N)CC)cc1 1355088162 IBKREPAWQGOFRC-CJNGLKHVSA-N 272.392 3.503 30 20 CHED C[C@@H](CNc1nc2ccccn2c1C#N)Cc1cccs1 302161237 JUMZDQSXBJZMFM-GFCCVEGCSA-N 296.399 3.558 30 20 CHED C[C@@H]1CN(c2snc(Cl)c2C#N)[C@@H]2CCCC[C@@H]12 302134597 CWZLZFQBDPCSIM-WCABBAIRSA-N 281.812 3.683 30 20 CHED CC1(C)CCC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C1 179376333 IRZNOLGWVMGFCT-CHWSQXEVSA-N 295.386 3.956 30 20 CHED CCOc1ccccc1CNc1cc(F)cc(C#N)c1 600858327 NWHAVSLQEROFQH-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CCCCc1ccc([C@H](NC(=O)CC#N)C(C)C)cc1 120074967 GSQVNDQKBIZDGY-QGZVFWFLSA-N 272.392 3.756 30 20 CHED N#Cc1ccc(OC[C@H]2CCCC(F)(F)C2)cc1F 302327524 CTSNMURURYHYFI-JTQLQIEISA-N 269.266 3.902 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)C[C@@H](c2ccccc2)[C@@H]1C 182802759 CTFQPRIEAQOOFZ-XYJFISCASA-N 283.415 3.973 30 20 CHED C=CCC[C@@H](C(=O)NCC(C)(C)C)c1ccccc1 187082391 UMEVZLDKFUKQMF-OAHLLOKOSA-N 259.393 3.899 30 20 CHED CCCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 185783754 NWJVLDIKEJPENJ-HZPDHXFCSA-N 272.392 3.647 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 185660288 CBCSDCDJQQXLHS-CQSZACIVSA-N 271.404 3.518 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)NCc1cccc(C#N)c1 77347675 AQWDOANTUJUVFM-CYBMUJFWSA-N 287.407 3.572 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc2oc(C)c(C)c2c1 185388643 GLKXHLWNGXNCQX-ZDUSSCGKSA-N 287.359 3.969 30 20 CHED Cc1ncsc1CN(C)c1nc2ccccc2cc1C#N 71390174 AJEDIYYGKLCDNP-UHFFFAOYSA-N 294.383 3.508 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cccs1 128454830 NPBOWFIEYMEFQW-VOTSOKGWSA-N 273.313 3.861 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 415391533 LTXQAUKSACEXHR-JLSDUUJJSA-N 284.403 3.625 30 20 CHED CSc1ccc([C@@H](C)NC[C@@H](C#N)CCC#N)cc1 30534614 NMODIABJQMKUJE-CHWSQXEVSA-N 273.405 3.503 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cccc(CC#N)c1 412832619 XIUYRKUZRMSWQI-JKSUJKDBSA-N 284.403 3.697 30 20 CHED C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(C#N)cc1 128936768 RRDWQKBYRZNFDP-SMDDNHRTSA-N 272.373 3.544 30 20 CHED Cc1cc2cc(C(=O)O[C@@H]3CC[C@H](C#N)C3)oc2cc1C 187621694 FGXXFQQQLXUXER-GXTWGEPZSA-N 283.327 3.899 30 20 CHED Cc1c(C#N)cccc1C(=O)NC[C@@H](C)c1ccc(F)cc1 509586145 MBKZNLZOSOIOKL-GFCCVEGCSA-N 296.345 3.539 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(OC)cc1C 121743259 VMFUTONRCMUJIS-UHFFFAOYSA-N 288.391 3.596 30 20 CHED COc1ccc([S@@](=O)CCC2(C#N)CCCCC2)cc1 414248654 WOWZEQZKFWNKSP-FQEVSTJZSA-N 291.416 3.667 30 20 CHED C=C(C)[C@@H](NCc1nccn1CC)c1ccc(F)c(F)c1 187373613 UXBQMYGZEOZYGB-MRXNPFEDSA-N 291.345 3.588 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 120281928 BBROGTQKKMMZDQ-ZDUSSCGKSA-N 296.326 3.893 30 20 CHED C#CCNC(=O)[C@@H](C)S[C@H](C)c1ccc2ccccc2c1 122246554 FYAAOYIOBUQSAZ-ZIAGYGMSSA-N 297.423 3.772 30 20 CHED N#Cc1ccc(C(=O)N2CCCc3cc(Cl)ccc32)cc1 31925527 AVIPQXCMTQOFJV-UHFFFAOYSA-N 296.757 3.805 30 20 CHED C[C@@H](NCCC1(C#N)CCCCC1)c1ccccn1 411500518 GAQUGQLJKLMEDT-CQSZACIVSA-N 257.381 3.596 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2CCOc3c(Cl)cccc32)C1 185794935 KZEBNSZANQZIGX-HUBLWGQQSA-N 290.794 3.836 30 20 CHED C=CCCCNc1ccccc1I 70591518 RUAALWXBVKLZQV-UHFFFAOYSA-N 287.144 3.669 30 20 CHED C=CCC1(CN[C@H](C)c2cc3n(n2)CCC3)CCCC1 414155095 UYMOLUGVMHAQIB-CQSZACIVSA-N 273.424 3.616 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC/C=C\c1ccncc1 418138328 CQNHUDXUJBEFLR-AXMVSILFSA-N 289.382 3.634 30 20 CHED C[C@@H]1CCCCN1Cc1ccc(C#N)cc1Br 180939903 CVWZNXNZTMHFHV-LLVKDONJSA-N 293.208 3.695 30 20 CHED COc1cccc(C(=O)/C=C/c2c(OC)cccc2OC)c1 182248389 YVXHMFSDFYPROT-ZHACJKMWSA-N 298.338 3.609 30 20 CHED CCC(CC)CC(=O)N1CCCc2cc(C#N)ccc21 410997141 BBVKGMBUMGETPI-UHFFFAOYSA-N 270.376 3.664 30 20 CHED C[C@@H](C#N)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 335998428 DFEHAYJMFGBCCH-ZANVPECISA-N 297.185 3.817 30 20 CHED CC1(C)Cc2cccc(/C=C/C(=O)c3cncc(F)c3)c2O1 78023028 SFFRMRNVLAZURH-VOTSOKGWSA-N 297.329 3.830 30 20 CHED C=CC[C@H](C(=O)NCCCCOC(C)C)c1ccccc1 189047939 BJRVBBMCTDBRJU-KRWDZBQOSA-N 289.419 3.668 30 20 CHED Cc1cc(OCC2(C#N)CCC2)c2c(C)cccc2n1 418947165 APBFYTZSFJQUEE-UHFFFAOYSA-N 266.344 3.924 30 20 CHED C=C[C@H](CC(=O)N1CCS[C@@H](C)[C@@H]1C)c1ccccc1 135173361 MSSCYEHBEIHRHJ-SOUVJXGZSA-N 289.444 3.699 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 412318932 RNLCQBQMKMHNND-UKRRQHHQSA-N 287.403 3.802 30 20 CHED Cc1cc(NC[C@H]2CCC(F)(F)C2)c(C#N)cc1[N+](=O)[O-] 413267905 LYPPXJKUIHYVCY-JTQLQIEISA-N 295.289 3.622 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc2ccc(OC)cc2c1 410834070 JEADHMZZSMSNGL-MRXNPFEDSA-N 296.370 3.613 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H](c2ccccc2F)C1 501177535 SDOJZUPBNIRLGX-LBPRGKRZSA-N 284.309 3.830 30 20 CHED CC1(C)CCCN(CCCOc2ccc(C#N)cc2)CC1 87657832 SVHOFMYSVOSLQI-UHFFFAOYSA-N 286.419 3.839 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2c(c1)CCCC2 410128422 SDPPIIRAFLAOSA-INIZCTEOSA-N 257.377 3.650 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 410665074 URSORIBHKOZKIQ-IAGOWNOFSA-N 269.388 3.747 30 20 CHED N#C[C@H](C(=O)c1cccc(F)c1)c1ccc2ccccc2n1 47376227 YLKCBADFBOMYBS-HNNXBMFYSA-N 290.297 3.864 30 20 CHED Cc1nnc(SC[C@@H]2CCCC(F)(F)C2)c(C#N)c1C 509101173 XQJJUXJOCYTRFG-LLVKDONJSA-N 297.374 3.883 30 20 CHED C[C@@H](CCC#N)N1CCC(Cc2cc(F)cc(F)c2)CC1 411806620 VRWPNBYNTHBQIC-ZDUSSCGKSA-N 292.373 3.912 30 20 CHED CC[C@@H](C(=O)Nc1ccccc1C#N)c1ccc(F)cc1 41336383 FDWBPLIGBGJTQR-OAHLLOKOSA-N 282.318 3.830 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 135188737 FEIQLHVPBMRVQX-SOLBZPMBSA-N 287.403 3.625 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 135188793 FEIQLHVPBMRVQX-BQFCYCMXSA-N 287.403 3.625 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(F)c1 45403951 WZLLSEHVMQGUSN-UHFFFAOYSA-N 296.345 3.750 30 20 CHED Cc1nc(Oc2ccccc2C#N)c2c(C)csc2n1 132955214 KPKSMAGGZQTBFO-UHFFFAOYSA-N 281.340 3.972 30 20 CHED Cc1ccc(CC(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 41543775 NXQKIFYCBSYVBP-AWEZNQCLSA-N 290.322 3.555 30 20 CHED CC(C)c1nnc2ccc(N=C(O)[C@@H]3CC[C@@H](C)C3)cn12 329991928 KCECHNNBMTVEKU-VXGBXAGGSA-N 286.379 3.877 30 20 CHED C=CCOc1cccc(NC(=O)N(CCC)CCC)c1 193709164 WZQRPQGONQPCGL-UHFFFAOYSA-N 276.380 3.905 30 20 CHED C=CCOc1ccc(CNCc2cccc(C)c2)cc1 20134414 CNSABZMKAOHPCG-UHFFFAOYSA-N 267.372 3.850 30 20 CHED C[C@H](OC(=O)c1cncc(-c2ccccc2)c1)C(C)(C)C#N 130538927 UJZBTQMOJRPYPX-ZDUSSCGKSA-N 294.354 3.844 30 20 CHED CCCOc1cc(CNc2ccc(C#N)cc2)ccc1OC 132863059 LBPHKKLWWNROMT-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CC(C)(C#N)c1ccccc1Cn1cc(-n2cccc2)cn1 134217266 LUECYWDKWHQVEG-UHFFFAOYSA-N 290.370 3.523 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCCC2(C)C)c1 429054441 PQXOPGOYMRLGNK-OAHLLOKOSA-N 288.391 3.952 30 20 CHED COC(=O)Nc1cccc(OCCCC(C)(C)C#N)c1 135507196 RRBFCTCQEPZSPG-UHFFFAOYSA-N 276.336 3.574 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc(C#N)s1 134493106 UAJWJRKBUZWPSJ-SOFGYWHQSA-N 269.325 3.524 30 20 CHED N#Cc1cccc(CCN[C@H]2CCC[C@H]2CCCF)c1 510926434 CWZRXQJJOXPYNE-IRXDYDNUSA-N 274.383 3.609 30 20 CHED C[C@H](C#N)CN(C)[C@H](C)c1ccc2ccccc2c1 512494399 OXOZDTLKQLRQCU-ZIAGYGMSSA-N 252.361 3.992 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 330536206 PBKSFOKWIYQSNA-JCGIZDLHSA-N 298.430 3.797 30 20 CHED CC1(C#N)CCC(Nc2cccc(-n3ccnc3)c2)CC1 336212027 WXBXFRHXGBQIIQ-UHFFFAOYSA-N 280.375 3.757 30 20 CHED O/C(=N/[C@H]1C=CCCC1)Nc1cc(Cl)c(Cl)cn1 330971567 HFMPZZDFSVXYAX-QMMMGPOBSA-N 286.162 3.823 30 20 CHED N#CCCC/N=C(/O)N1CCC[C@@H]1CC1CCCCC1 330833997 JVQPHFVHKOPLHM-OAHLLOKOSA-N 277.412 3.639 30 20 CHED N#Cc1csc(CNCCc2nc3ccccc3s2)c1 337629588 LRBFUKLCHJWOHR-UHFFFAOYSA-N 299.424 3.562 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H](C)C(C)(C)C)cc1 518832899 ZHRPTHMMEGSEGQ-WFASDCNBSA-N 272.392 3.612 30 20 CHED C[C@@H]1CCC[C@H](CNCc2ccc(O[C@H](C)C#N)cc2)C1 237351711 JNNAQJUDXQWZPM-INMHGKMJSA-N 286.419 3.893 30 20 CHED CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(C#N)cc1Cl 426161503 MOFVIKDKWHPKLY-JQWIXIFHSA-N 291.782 3.864 30 20 CHED CCCC(=CC(=O)NCc1cc(C#N)ccc1F)CCC 92439026 ZMVYIBZLPVEUII-UHFFFAOYSA-N 288.366 3.840 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H](C3CC3)C2)cc1 334336738 TXFPTRQICVEMJD-AWEZNQCLSA-N 297.402 3.752 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](CC#N)c1ccccc1 337092867 MVOMIYUIXGYEPI-CVEARBPZSA-N 270.376 3.545 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(CCC#N)Cc2ccccn2)o1 93100555 UAKQSGIEDLEWCP-RHSMWYFYSA-N 295.386 3.714 30 20 CHED C=CCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 511594505 OOTKAXXHOWLBKC-ZDUSSCGKSA-N 271.282 3.812 30 20 CHED Cc1cccc([C@H](C)Nc2cnccc2C#N)c1C 94160296 VLLCPMLJNDDYAI-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(C#N)s2)C1 336296132 HDKZBAJDYIGCLM-NSHDSACASA-N 276.405 3.518 30 20 CHED C=CCOc1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1 97214156 OSXHLMLFNBTXGA-UHFFFAOYSA-N 296.370 3.824 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCc2sccc21 436279167 AQYKYTZCLNWFAM-NOLJZWGESA-N 277.433 3.696 30 20 CHED CCCCCOc1ccc(CN(CC#N)CCC)cc1 511475006 SHQPEPGLQYRGRH-UHFFFAOYSA-N 274.408 3.991 30 20 CHED Cc1ccc(CN(C)CCCC2(C#N)CCOCC2)cc1 337139693 SLDSFHVMYQWBJW-UHFFFAOYSA-N 286.419 3.527 30 20 CHED Cc1nnc(NCC2(CC(C)C)CCCC2)c(C#N)c1C 94877952 DLWNPHQITZAYNM-UHFFFAOYSA-N 286.423 3.984 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(OC)cc(C)n1 339820095 NZPYBYNSFVXFSE-UHFFFAOYSA-N 289.423 3.551 30 20 CHED C[C@H]1CN(Cc2cc(C#N)cs2)[C@@H]1c1ccccc1 93867595 GKGRSPJBXLNEKI-LRDDRELGSA-N 268.385 3.813 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(-n2nc(C)cc2C)cc1 337101379 WBTVASNCDSLPJS-MRXNPFEDSA-N 297.402 3.574 30 20 CHED CC1=C(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)CCC1 437261417 WKJJLSAUADRDES-UHFFFAOYSA-N 282.387 3.796 30 20 CHED C=CCc1cc(-c2nc3cnccc3s2)cc(OC)c1O 436936499 NKGMYAXCJGVXBX-UHFFFAOYSA-N 298.367 3.801 30 20 CHED C[C@@H](NC(=O)C1(C(F)F)CCCC1)c1ccc(C#N)cc1 520876921 ZSBGPIUJHSAVSM-LLVKDONJSA-N 292.329 3.561 30 20 CHED C=CCCC(=O)N(CCC)[C@@H]1CCc2ccccc21 522473260 KSTNFCIVUGBHLL-MRXNPFEDSA-N 257.377 3.879 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 245780431 UGOSLNDEJBJBSJ-CRAIPNDOSA-N 286.419 3.990 30 20 CHED C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CC[C@H]1C 245688175 AYARQDHPUXFRTM-HZPDHXFCSA-N 286.419 3.847 30 20 CHED C=C1CCN(Cc2csc(CCC(C)C)n2)CC1 342175749 IQYNAOAXEVSBSZ-UHFFFAOYSA-N 264.438 3.884 30 20 CHED Cc1ccc2oc(SCc3ccc(CC#N)cc3)nc2n1 342450591 SAXSVZJNGSQKLK-UHFFFAOYSA-N 295.367 3.890 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(CC)c1-c1ccccc1 341616950 CFZOYGNNIHWWSH-HNNXBMFYSA-N 297.402 3.655 30 20 CHED COC[C@@H](NCC(C)(C)CCC#N)c1ccc(Cl)cc1 348206935 NCLYXWCKJXLFDR-OAHLLOKOSA-N 294.826 3.947 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCC[C@H]1C 522035540 XZLQCIGMXPEUDB-HZPDHXFCSA-N 291.435 3.976 30 20 CHED Cc1cccc(C)c1OCCNc1ccc(C#N)cc1 603860683 RHSMRAHMTSBTGC-UHFFFAOYSA-N 266.344 3.666 30 20 CHED N#Cc1cnccc1/C=C/c1ccccc1OC(F)F 347437002 UUIDLWHCNXBDEW-AATRIKPKSA-N 272.254 3.725 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1Cc1cccc(C#N)n1 602683398 ZCTORUNSKGBXLQ-SFHVURJKSA-N 295.361 3.738 30 20 CHED CCc1nn(C)cc1/C=C1/C(=O)c2ccccc2C1(C)C 255561575 JBQPCVWOROBLPN-GDNBJRDFSA-N 280.371 3.540 30 20 CHED N#Cc1ccc(C(=O)NCc2cc3ccccc3s2)cc1 347650818 LILUQNIYGXZRBJ-UHFFFAOYSA-N 292.363 3.703 30 20 CHED C=CCSCc1nc(-c2ccc(CC)cc2)no1 609604130 YHSVRYOICVTMJC-UHFFFAOYSA-N 260.362 3.718 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N(C)C1(C#N)CCC1 255426313 DLOGEXSZKVWOGJ-XFXZXTDPSA-N 288.778 3.648 30 20 CHED N#CCC[C@H](/N=C\c1ccccc1O)c1ccccc1 255161549 UDODJTJPFOSUDW-UEIJICEPSA-N 264.328 3.856 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(-c3ccco3)cc2F)c[nH]1 347729455 GRYVNBBUOYGGEB-UHFFFAOYSA-N 295.273 3.538 30 20 CHED Cc1ccc([C@H]2CCN(c3nc(C)ccc3C#N)C2)c(C)c1 343078320 DXVXKAAJFWDYEQ-KRWDZBQOSA-N 291.398 3.872 30 20 CHED C=CCOCCCN[C@@H](C)c1ccc2ncsc2c1 348107713 SOOJJFCBMKGRNU-LBPRGKRZSA-N 276.405 3.540 30 20 CHED Cc1cccc(C2=CCN(c3ccnc(C#N)c3)CC2)c1 342915221 DTZFUKYXHMSFAI-UHFFFAOYSA-N 275.355 3.555 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2ccco2)c1 255054541 JFDQZAYOZMVXKU-HJWRWDBZSA-N 256.301 3.963 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H](C)CCC#N 602443309 CENGOHATRVUGFK-INIZCTEOSA-N 283.419 3.956 30 20 CHED COc1ccc(/C=C\C(=O)C2CCCCC2)cc1[N+](=O)[O-] 255327620 UZFLKVZVUXXTQU-CLFYSBASSA-N 289.331 3.766 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2c[nH]c3ccccc23)no1 347052550 XANUUNNCBPJPIP-WFASDCNBSA-N 295.342 3.667 30 20 CHED C=CCCC1(c2nc(-c3cnn(C(C)(C)C)c3)no2)CC1 347157392 ZLSMZKSUSUDXMX-UHFFFAOYSA-N 286.379 3.686 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1ncnc2sccc12 604020444 OYXVHKZKNXXABG-LBPRGKRZSA-N 297.408 3.918 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc(Cl)nc1 255772630 MSELBCIPHLQYFP-IWQZZHSRSA-N 294.719 3.601 30 20 CHED N#Cc1c(N[C@@H](CF)c2ccc(F)cc2)ncc2c1CCC2 601265088 LWFVNMWHLSMZRP-INIZCTEOSA-N 299.324 3.704 30 20 CHED C=CCCCCCNc1cc2c(cc1OC)CCC(=O)N2 447405003 MYERFKZISLFRHS-UHFFFAOYSA-N 288.391 3.738 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccnc(Oc2ccccc2)c1 604880181 AEYMSJWZUDSWNE-CYBMUJFWSA-N 282.343 3.568 30 20 CHED C=CCCCSCC(=O)Nc1ccc(CC)cc1 609804705 ABGIKBNOZSSDRU-UHFFFAOYSA-N 263.406 3.887 30 20 CHED C=CCC(CC=C)C(=O)N(CC)[C@H](C)C(F)(F)F 357875005 KARXCPLBCOWQQP-SNVBAGLBSA-N 263.303 3.554 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)CSc1ccccc1 609516695 FWDGRBSHEYJBSF-AWEZNQCLSA-N 290.432 3.565 30 20 CHED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccsc1 255032819 HQSWRGQIJSSFRY-SREVYHEPSA-N 280.352 3.830 30 20 CHED Cc1cc(C)n(CCSc2ccc(Cl)cc2C#N)n1 601911608 KWYPUFURRDOSBH-UHFFFAOYSA-N 291.807 3.817 30 20 CHED C[C@@H](CCC#N)CNc1ccc(Br)cc1 602428452 NSXZIYZNMLSBFQ-JTQLQIEISA-N 267.170 3.801 30 20 CHED CCCc1cc(C(=O)N(CC#N)CCC)ccc1Cl 350030344 BESUDPGWAUULMN-UHFFFAOYSA-N 278.783 3.668 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCCOc2ccccc21 352901236 LNCGHYDLXVHYMI-DZGCQCFKSA-N 288.391 3.554 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)[C@](C)(C#N)CC)c1C1CC1 354437050 UYRDSOUCDRHBDJ-BZNIZROVSA-N 288.395 3.610 30 20 CHED COc1ccc(Cl)cc1C[C@@H]1CCCN(CCC#N)C1 355755442 DRFBGSWTIZECEG-ZDUSSCGKSA-N 292.810 3.517 30 20 CHED Cc1ccccc1[C@H](CC(F)(F)F)NCC1(C#N)CC1 444786181 TXMXUFOEXQJUNJ-ZDUSSCGKSA-N 282.309 3.882 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCO[C@H](C(C)(C)C)C1 537964574 VTXIPYRWRVLTGR-AJNGGQMLSA-N 253.430 3.770 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc([C@H](C)CC)nc1 352484656 RWNRTBQZDBOTAE-LLVKDONJSA-N 261.369 3.531 30 20 CHED C=CC(C)(C)CNC1CCN([C@H]2CCC[C@H](C)C2)CC1 449487354 YHKFGXYEKLOQDP-RDJZCZTQSA-N 278.484 3.831 30 20 CHED C=CCCCN1CC[C@H](Oc2ccccc2Cl)C1 443638684 DZXHKWAJYWAAQC-ZDUSSCGKSA-N 265.784 3.759 30 20 CHED C=CCCC[C@H](C)NC(=O)c1nc(C(C)C)oc1C 354715743 KYJFJVDABYAMPW-NSHDSACASA-N 264.369 3.581 30 20 CHED C=C(C)CSCCCOCCc1ccccc1 530873742 LHMISANRQHDZRG-UHFFFAOYSA-N 250.407 3.945 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 611392947 YGGYORGSNXNUFM-APPDUMDISA-N 295.386 3.891 30 20 CHED Cc1cc(CN(CC2CC2)C2CCC2)ccc1C#N 355731438 NTEUJFPHQHYXHY-UHFFFAOYSA-N 254.377 3.631 30 20 CHED CC[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)C1CCC(C)CC1 613125373 YIYZJDCXZJWMTP-IOTAOYMUSA-N 290.451 3.991 30 20 CHED C[C@@H]1CCC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 618804733 LSIRDDQAOIWVCE-ISTRZQFTSA-N 254.377 3.714 30 20 CHED C=C(C)CN(CC)C(=O)c1ncccc1Oc1ccccc1 440453011 PBIXMGAJIYYHJG-UHFFFAOYSA-N 296.370 3.912 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618788739 ZGHXATQZEJBPLP-RHSMWYFYSA-N 284.403 3.878 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1)c1cccc(C#N)c1 612469137 AMRBPCMGVYSETK-QDEZUTFSSA-N 299.418 3.743 30 20 CHED CN(CCCCOC(C)(C)C)Cc1ccc(C#N)cc1 354876249 XGFDRBRAIDJPRZ-UHFFFAOYSA-N 274.408 3.585 30 20 CHED C=CCN[C@H](Cc1ccccc1)c1ccccc1F 538256419 MQVVOPKMZWDKEE-QGZVFWFLSA-N 255.336 3.885 30 20 CHED C=CCC1(C(=O)N2CCC[C@](C)(OC)CC2)CCCC1 451363866 TWZSBUGCVYAXNJ-INIZCTEOSA-N 279.424 3.541 30 20 CHED Cc1noc([C@@H](C)SCCCCC(C)(C)C#N)n1 618109644 OOWSESRNJNUTTO-SNVBAGLBSA-N 267.398 3.892 30 20 CHED CCCC[C@H](Nc1nccc(C#N)n1)c1ccc(OC)cc1 450319844 ZOPUDEREQOJIPP-INIZCTEOSA-N 296.374 3.700 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1 617783269 WXUUKCZYESJLGH-UKRRQHHQSA-N 289.444 3.983 30 20 CHED CCN(CCC#N)C(=O)Nc1ccccc1OC(C)(C)C 267427597 BDPJSIZLPYLEEL-UHFFFAOYSA-N 289.379 3.631 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(C)[nH]c3ccccc23)C1 617789008 WUTOJYSBSZTMCD-CQSZACIVSA-N 282.387 3.905 30 20 CHED Cc1ccc([C@]2(C)CCN(C(=O)C3(C#N)CCCC3)C2)cc1 364246363 UIPZNXLUMOVZJP-GOSISDBHSA-N 296.414 3.569 30 20 CHED Cc1cc(C)c([C@H](C)N2CC[C@](F)(C#N)C2)c(C)c1 615644437 FXDAVLIKBBEPNI-HOCLYGCPSA-N 260.356 3.610 30 20 CHED CC#CCN(C)C(=O)N[C@H](C)c1cc2ccccc2s1 458359440 JVXWKSIYEAQNAZ-GFCCVEGCSA-N 286.400 3.627 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(OC(F)F)c1 453367573 UEPIQGQXJUMCCI-GLQYFDAESA-N 297.345 3.672 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cccc(CC#N)c1 455908581 ADHHUHGOWXZHDM-CHWSQXEVSA-N 273.380 3.699 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)CCCC1 450447207 UHUMRBZSQNNJLZ-HZPDHXFCSA-N 293.451 3.833 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](CC)CC(F)(F)F 450426589 QIXINJIMLITVFZ-MNOVXSKESA-N 265.319 3.826 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 455518054 FZEQFQFPAIOYKO-MRXNPFEDSA-N 290.382 3.508 30 20 CHED C=CCCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 542948376 YBEPFPOFKGVEIY-CQSZACIVSA-N 285.309 3.655 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)c(C)cc1Cl 455742790 IEGBTNBUMAKIJV-UHFFFAOYSA-N 266.772 3.997 30 20 CHED N#CCC1(CN[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 369708086 ZBEVILZDMRJABX-OAHLLOKOSA-N 282.387 3.716 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(SC)c(OC)c1 271452201 IIVQFKVVLQAYGC-LBPRGKRZSA-N 297.489 3.987 30 20 CHED C=CCCc1nc(Cc2c[nH]c3c(CC)cccc23)no1 546399597 HUXSGCXNHGUBPC-UHFFFAOYSA-N 281.359 3.823 30 20 CHED C=C(CC)CNC(=O)CCCCCc1cccs1 456828638 MNDBUZZFGAWCCQ-UHFFFAOYSA-N 265.422 3.933 30 20 CHED C=C[C@@H]1OCC[C@H]1Nc1ncc(-c2ccccc2)s1 450762790 VBDPSFJFTCJNIQ-OLZOCXBDSA-N 272.373 3.566 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@H]1OCCc2ccccc21 620858876 RKRMPMUWDWWCNP-INIZCTEOSA-N 287.403 3.552 30 20 CHED C=C(C)CCNC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C 458994440 GFGYYDHTBRESHL-INMHGKMJSA-N 286.419 3.929 30 20 CHED COc1ccc(C#N)cc1CN(CC1CCC1)CC1CC1 361564663 NNQLVDPFHYVZEL-UHFFFAOYSA-N 284.403 3.579 30 20 CHED Cc1cc(N(C)C)ccc1N[C@@H]1CCC[C@H](C#N)C1 274213899 OGEJSRAOABCDNJ-UONOGXRCSA-N 257.381 3.555 30 20 CHED C=C(C)CNC(=O)N(CC)[C@H](CC)c1ccccc1 275004046 HMTTYQFGLCXLQF-OAHLLOKOSA-N 260.381 3.745 30 20 CHED C[C@@]1(NCC2(C#N)CCC2)CCCc2ccccc21 450551456 FKHFEECOFUSFSO-MRXNPFEDSA-N 254.377 3.522 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)Cc1ccc(F)cc1 277815461 IYVZMXADHIUXIV-LJQANCHMSA-N 281.396 3.794 30 20 CHED C=C(C)[C@H](Cc1nc([C@@H](C)c2cccs2)no1)OCC 273849886 KEDXJUJWFOGEMU-RYUDHWBXSA-N 292.404 3.807 30 20 CHED C=CCN(CC=C)C(=O)[C@H](CC)Sc1ccccc1 463277407 LBWAKBBRXNSWBM-HNNXBMFYSA-N 275.417 3.758 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(OC(C)(C)C)cc1 465260342 YSRGFHUXUJAFSE-NSHDSACASA-N 262.353 3.560 30 20 CHED C=CCN(C(=O)c1ncsc1-c1ccccc1)C1CC1 275481551 OJFJNUDFTDWJAS-UHFFFAOYSA-N 284.384 3.601 30 20 CHED N#CCCCCN1CCn2c(cc3c(Cl)cccc32)C1 278404553 WYBVPTMDJFOLNI-UHFFFAOYSA-N 287.794 3.804 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1csc(C(C)C)n1 274651702 NKIRUGJGGQVFRP-AATRIKPKSA-N 275.377 3.503 30 20 CHED CC[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CCCO1 543994104 UIRMECBUHRFSQM-LBPRGKRZSA-N 298.308 3.582 30 20 CHED C=C[C@H](C)NC(=O)[C@H](CC1CCCCC1)C(C)C 465113777 OKHPEAFPLGRGOI-DZGCQCFKSA-N 251.414 3.920 30 20 CHED C=CCN(C(=O)c1sccc1CC)C(C)(C)C 622943455 CCWKEJUEATXQKK-UHFFFAOYSA-N 251.395 3.737 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCCOc1ccccc1C 467837164 YDZSYQNEFGORRF-GOSISDBHSA-N 289.419 3.825 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2)c2cc(Cl)ccc2O1 464776208 KVNHKSCEOJLVPR-GFCCVEGCSA-N 298.773 3.999 30 20 CHED N#CCC[C@H](NC(=O)N1C[C@H]2CCCC[C@H]21)c1ccccc1 378102231 RADZBCJPLUMOFK-IXDOHACOSA-N 297.402 3.615 30 20 CHED N#CC1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1 281989864 WTZJJSZIFOEYBG-UHFFFAOYSA-N 291.782 3.791 30 20 CHED C=C[C@@H](Cc1nc(-c2ccc(F)cn2)no1)c1ccccc1 460647315 MPDUQOZOZRSVEP-LBPRGKRZSA-N 295.317 3.783 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn([C@H](C)CC)c1C1CC1 281355341 MIKLSMSPFFYRJC-TZMCWYRMSA-N 289.423 3.816 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 462041816 XNZXXBQSQQCNOI-LESCRADOSA-N 298.430 3.993 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)COc1c(C)cccc1C 468115352 NVVAVFQSSWDORO-QAPCUYQASA-N 289.419 3.789 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc(SC)cc1 285680765 FYZCAYIYQPLGQQ-XHDPSFHLSA-N 277.389 3.953 30 20 CHED CCN(Cc1cc(C#N)ccc1F)c1ccccc1OC 558084363 GJOVVEKBCFABBB-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=CCC(C)(C)c1noc(C[C@H]2CCC[C@@H](OC)C2)n1 551497908 ZQFYIYIFZVUQLJ-QWHCGFSZSA-N 278.396 3.671 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@@H](C)CC 460768132 DNSXYVJXMLPHBI-STQMWFEESA-N 264.417 3.602 30 20 CHED C=CCCCN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 550288858 WNWSSYQHKCOBGC-ZDUSSCGKSA-N 273.355 3.628 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCCC1(C)C 467112176 VKZFBRRGQUFCCQ-OAHLLOKOSA-N 285.391 3.957 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](C)[C@H]1C 460552501 OJADMNZXSIHZFJ-HUUCEWRRSA-N 296.418 3.756 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccc(OC)cc1 280928477 UWWOUSVNWJHFPK-SZMVWBNQSA-N 289.419 3.717 30 20 CHED C[C@H](N[C@@H](C)c1c(F)cncc1F)c1cccc(C#N)c1 285777314 SJTPJDBGXGWLDX-QWRGUYRKSA-N 287.313 3.643 30 20 CHED CCCCOc1ccc([C@H](C)NCCCC#N)cc1 284068441 ARZKLHJNJAZOMU-AWEZNQCLSA-N 260.381 3.820 30 20 CHED Cc1ccc([C@@H]2CCN(CCCCC#N)C2)c(C)c1 280598849 XAMCCWACEISHTH-MRXNPFEDSA-N 256.393 3.787 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)N(CCC#N)CCC(C)C 294576013 LYPAMYCLOGJAMJ-UHFFFAOYSA-N 299.418 3.669 30 20 CHED C#Cc1ccc(CNc2ccc(C)c(NC(C)=O)c2)cc1 809597197 MBYBSPPJWHCPEZ-UHFFFAOYSA-N 278.355 3.547 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(-c2ccncc2)cs1 636417204 VWLUQCVQELMFLO-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1cnccc1C#N 805167869 IRHWSYKDYPGVSS-GOEBONIOSA-N 299.418 3.536 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@@H]1CC=CCC1 807989937 QMXWPZXSQACZGN-GFCCVEGCSA-N 259.309 3.657 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](CC)C1CCOCC1 470496955 NBSQWFZUTHFZIJ-MRXNPFEDSA-N 296.455 3.579 30 20 CHED C[C@@H](C#N)N(C)C(=O)C1(Cc2cccs2)CCCCC1 297939755 SVFZNVBBCPPMAX-ZDUSSCGKSA-N 290.432 3.612 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2cccc(OCC#N)c2)C[C@H]1C 294397345 IEUINXJSMOKTRS-MCIONIFRSA-N 286.375 3.600 30 20 CHED C=CCCCC(=O)Nc1cccc([N+](=O)[O-])c1Cl 292447682 VVWRPQHXDUVIOQ-UHFFFAOYSA-N 268.700 3.543 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCCOc2ccccc21 292391744 XHNTVLSPYGHXPO-CQSZACIVSA-N 273.376 3.619 30 20 CHED CCCCCCCC(=O)Nc1cc2ccccn2n1 804378535 VHUXIIROCCMKCH-UHFFFAOYSA-N 259.353 3.633 30 20 CHED CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1cccs1 293668380 UPUQHJCZYYBVHH-YRGRVCCFSA-N 260.406 3.823 30 20 CHED C=C(C)CCOC(=O)c1ccc(Cl)nc1C(F)(F)F 803480439 HEDWLXWWBNRBHT-UHFFFAOYSA-N 293.672 3.877 30 20 CHED CC(C)n1cc([C@H](C)Nc2nc(Cl)c(C#N)s2)cn1 804451579 OZFKXOHAUMLEGY-QMMMGPOBSA-N 295.799 3.619 30 20 CHED Cn1cnc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)c1 800792695 GUFUTIRIJANVGV-NTMALXAHSA-N 288.350 3.568 30 20 CHED CC(=NN[C@H]1CCSC1)c1ccc(OCC(C)C)cc1 808000910 DCLZNAUZYIKVEF-HNNXBMFYSA-N 292.448 3.541 30 20 CHED N#CCCC1CCN(c2cncc(-c3ccccc3)n2)CC1 566161146 WDUPDRGOBNMHPS-UHFFFAOYSA-N 292.386 3.664 30 20 CHED N#Cc1ccc(C(=O)N(CC2CCCCC2)C2CC2)s1 486658342 PKAFSMMSLWDAIZ-UHFFFAOYSA-N 288.416 3.805 30 20 CHED C=CCCCCOC(=O)c1ccc(-c2ccccc2)nc1O 811013031 HLLIPQWOPTZOOG-UHFFFAOYSA-N 297.354 3.967 30 20 CHED CCC(O)(CC)C(C)(C)CNC1CCC(C)(C#N)CC1 565241541 GPUJNTKHPGALLN-UHFFFAOYSA-N 280.456 3.626 30 20 CHED CCCCC[C@H](C)CC(=O)N(C)CC(C)(C)C#N 817618201 YMFOGVNQFDUNBC-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCCS1 810767878 ZNFZTJXPEFZYQB-CYBMUJFWSA-N 255.427 3.525 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(N(C)C)c(Cl)c1 815070290 NQFUPLRFNAGASG-UHFFFAOYSA-N 288.725 3.556 30 20 CHED C[C@H]1C(=NNc2ccc3ccccc3n2)CC[C@@H]1CC(=O)O 814697717 ZLVGIHXYYNASBN-DGCLKSJQSA-N 297.358 3.524 30 20 CHED C=CCC[C@H](NCCc1ncc(C)cc1C)C1CC1 655809049 PESYHLMLGBGITQ-KRWDZBQOSA-N 258.409 3.575 30 20 CHED Cc1cccnc1NN=C1CS[C@@H](C(C)(C)C)C1 814911859 VGNKMBLYNITMCH-GFCCVEGCSA-N 263.410 3.710 30 20 CHED C#CCCCC(=O)N(CCCC)[C@@H]1CCC[C@H](C)C1 818801934 HUXNUYGGFVKFBE-JKSUJKDBSA-N 263.425 3.997 30 20 CHED C#C[C@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ccc(Cl)cc1 811947603 JLNFBSLCTQYZPF-AAEUAGOBSA-N 297.732 3.566 30 20 CHED C=CCCCCCCNC(=O)C1(c2ccccc2)CC(=O)C1 811526953 OJMICLVIQYNDLP-UHFFFAOYSA-N 299.414 3.540 30 20 CHED CC(C)(C)[C@H](NCc1cccc(F)c1C#N)C(F)(F)F 573634652 BCASNYJHLJRBFO-LBPRGKRZSA-N 288.288 3.764 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCC(=O)C[C@@H]1C 811590078 OMRQUGWLNYGJKR-GOEBONIOSA-N 279.424 3.635 30 20 CHED C=CCC(F)(F)C(=O)NCCCCCc1ccccc1 815325693 NKXAFCXUROFHEW-UHFFFAOYSA-N 281.346 3.727 30 20 CHED C=CCCC(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 650579460 CZTRYMUIEILHCL-ZDUSSCGKSA-N 277.339 3.510 30 20 CHED COCc1ccccc1/C=C(/C)C=NNc1ncccc1F 814229732 RZZBQIKUEVFAFK-RUCWUFRFSA-N 299.349 3.868 30 20 CHED N#CCSCCCOC(=O)/C(F)=C\C1CCCCC1 814545571 XIVRWBDNEQBMPT-ACCUITESSA-N 285.384 3.610 30 20 CHED C=CCCCOC(=O)c1cc(C(F)(F)F)cc(Cl)n1 811232433 BEZYHEYAFBMCLH-UHFFFAOYSA-N 293.672 3.877 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H](c2ccccc2)C1 814334087 GRQXCECHJHTDKT-GOSISDBHSA-N 283.415 3.976 30 20 CHED CCCN(CC)C[C@@H](C)Nc1nc2ccccc2cc1C#N 811868244 ULERMMQUGRGBHN-CQSZACIVSA-N 296.418 3.639 30 20 CHED COc1cccc(O)c1C=Nc1cc(C)cc(C)c1 812390369 WXCBDKPUCJCHJY-UHFFFAOYSA-N 255.317 3.768 30 20 CHED CCCC(=NNC(=S)Nc1ccccc1)c1cccnc1 814713565 CTTRCJONMTWJBH-UHFFFAOYSA-N 298.415 3.572 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1sccc1C 579498573 AXHJPRNJCKARRZ-UHFFFAOYSA-N 263.406 3.783 30 20 CHED CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(C#N)ccc1C 498229064 QHFBMOYMOQCHQR-MRXNPFEDSA-N 293.370 3.696 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(CSC)c1 577819773 PQAXWICPYFGMDC-UHFFFAOYSA-N 264.394 3.637 30 20 CHED CC(C)CN(CCC#N)Cc1cc2cc(Cl)cnc2o1 823382305 DQWUAKQUPXEBRZ-UHFFFAOYSA-N 291.782 3.853 30 20 CHED COc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)cc1C 727973038 AMUHFKGNDBPPSA-UHFFFAOYSA-N 299.330 3.666 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C)c(C(C)=O)c1 574999931 PCYBOPMWMZTKGA-UHFFFAOYSA-N 274.364 3.675 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(F)cc1O 727777345 PVVOACHXEXIFJA-UHFFFAOYSA-N 262.259 3.507 30 20 CHED C#CC[C@H](NC[C@@H](O)[C@H](C)c1ccccc1)c1ccccc1 828688806 XMKBLJHSKZXZTM-LSTHTHJFSA-N 293.410 3.505 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C(=O)O)ccc1Cl 828212952 YSKNWCPCRZNABQ-JTQLQIEISA-N 295.766 3.513 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(OC)c1F 669711939 DWELMKPNKONKKS-UHFFFAOYSA-N 289.350 3.658 30 20 CHED N#Cc1cccc(/C=C2/CCc3sccc3C2=O)c1 726892819 OSHMHTMBIJGDQF-LCYFTJDESA-N 265.337 3.832 30 20 CHED CC(C)(NCCOc1ccc(C#N)cc1)c1ccc(F)cc1 728929085 SCKURFSTUTUYMF-UHFFFAOYSA-N 298.361 3.601 30 20 CHED C[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC1 583679385 RGSGSAFXVORECB-JTQLQIEISA-N 288.416 3.873 30 20 CHED CC[C@@H](NC(=O)N1CCC(CCC#N)CC1)C(C)(C)C 584169457 ZZUXZIBBUNPERJ-CQSZACIVSA-N 279.428 3.536 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(SC)cn2)C1 666650880 BAPCOVUJGPIDTC-GFCCVEGCSA-N 291.420 3.624 30 20 CHED CCC[C@H]1CCCCN1C(=O)/C=C\c1ccccc1C#N 588442664 KXGBOGRRYZXWFC-CPFIRTDXSA-N 282.387 3.753 30 20 CHED N#CCCCCCC(=O)Nc1ccccc1N1CCCC1 588271206 FIFDUUAVNZMJMF-UHFFFAOYSA-N 285.391 3.699 30 20 CHED CN(Cc1cccc2[nH]ccc12)c1ncc(C#N)cc1Cl 493409174 GKMIDACNRVPVKU-UHFFFAOYSA-N 296.761 3.724 30 20 CHED C=CCCCCN1[C@H](c2ccccc2)CC[C@@H]1C(=O)O 583945640 BMAGKEYFEVGGFQ-JKSUJKDBSA-N 273.376 3.633 30 20 CHED CC[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(C#N)c1 902954937 ZTJSCBMNSNGUKF-FGTMMUONSA-N 284.403 3.557 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCC(CCC#N)CC2)CC1 584353326 USDGFQZIYRSJPD-QAQDUYKDSA-N 290.451 3.991 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)c1ccc(Cl)s1 736398252 WOFIUIDTNMBWJD-ZETCQYMHSA-N 279.192 3.514 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(OC)cc2OC)c1 834904484 YSZWWTCYAOTQRK-CQSZACIVSA-N 295.382 3.536 30 20 CHED CC(C)(C)CN(CCC#N)CCc1ccc(F)c(F)c1 490091506 LLNOHAJJSKHKHM-UHFFFAOYSA-N 280.362 3.769 30 20 CHED N#CC1(CCCCO[C@H]2CCCc3c[nH]nc32)CCC1 902734641 XJGZAIUADLPPDZ-AWEZNQCLSA-N 273.380 3.668 30 20 CHED N#Cc1ccc(F)c(COC(=O)[C@H]2CCCCC2(F)F)c1 835201564 DFSYRZKKKOPEOG-GFCCVEGCSA-N 297.276 3.566 30 20 CHED C=CC[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1ccncc1 734458464 ZSBUNFJDQKWTPU-QGZVFWFLSA-N 282.387 3.561 30 20 CHED C=C(C)COc1cccc(NCc2ccc(C(=O)O)cc2)c1 833369722 CCLXVDFNKIQOKZ-UHFFFAOYSA-N 297.354 3.952 30 20 CHED N#CC1(CSc2n[nH]c(CCC3CCCC3)n2)CCC1 580933561 HNEVIMYLWUKRRV-UHFFFAOYSA-N 290.436 3.713 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc3cc(F)ccc3o2)C1 839056595 DWNMFYSMUWZMEX-GWCFXTLKSA-N 287.290 3.811 30 20 CHED CCCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 839488458 YSIXGTXBHUDBNI-RRQGHBQHSA-N 284.403 3.747 30 20 CHED CS/C=C/C(=O)Nc1scc(C(C)(C)C)c1C#N 839370155 TVSCRWMDDWMPHF-AATRIKPKSA-N 280.418 3.732 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1cccc(C2CC2)c1 836358142 PJYYXGBZFOECKY-AWEZNQCLSA-N 284.403 3.728 30 20 CHED C=C[C@H](C)NC(=O)CSc1ccc2c3c(cccc13)CC2 675041691 VFJPMGGRXBNIFT-LBPRGKRZSA-N 297.423 3.721 30 20 CHED CC(=NNc1cccc2cnccc12)c1cncs1 734748427 MVHJKKPACGKJBJ-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C=CC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccncc1 734237106 LFQVQAPGHFTYKF-OAHLLOKOSA-N 286.762 3.782 30 20 CHED CC(C)[C@@H](C)SCc1cccc(C(=O)O)c1C#N 833468677 JLXCRYDWNKYXFT-SNVBAGLBSA-N 263.362 3.534 30 20 CHED C=CCC1(C(=O)OCc2nc(C)c(C)o2)CCCCC1 838151549 KPRUQMDDUNKUJY-UHFFFAOYSA-N 277.364 3.861 30 20 CHED CCCCCCO[C@@H](C)C(=O)Nc1ccc(CC#N)cc1 839493512 XINIXPGHUCRWMO-AWEZNQCLSA-N 288.391 3.677 30 20 CHED N#CC1(C(=O)Oc2cc(Cl)ccc2F)CCCCC1 735455782 NKYSCSOBZLZGBM-UHFFFAOYSA-N 281.714 3.859 30 20 CHED C=C(C)CN(C)Cc1cn(C)nc1-c1cc2ccccc2o1 679359068 KIDKPKGACYHGLP-UHFFFAOYSA-N 295.386 3.841 30 20 CHED Cc1ccnc2ccc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)cc12 839063022 PFXALNLJKVRIDK-UKRRQHHQSA-N 294.354 3.782 30 20 CHED CC[C@@H](NC(=O)NCCCCC#N)c1cc(C)ccc1C 598983555 PIYKSKJXHMRPLD-MRXNPFEDSA-N 287.407 3.748 30 20 CHED CCC[C@@H](NC(=O)c1ccccc1OCC#N)C(C)(C)C 839408295 FTCKHVUAHLEYJH-OAHLLOKOSA-N 288.391 3.534 30 20 CHED N#CCCCCOC(=O)c1occc1-c1ccccc1 912958365 GRWQYNMOXUYLKA-UHFFFAOYSA-N 269.300 3.797 30 20 CHED CCCCCC(C)=Nn1c(S)nnc1[C@H]1CCCCO1 743451274 BVJMYCSOFBFGJB-GFCCVEGCSA-N 296.440 3.613 30 20 CHED C=CCOC(=O)Cc1csc(-c2ccc(CC)cc2)n1 744510654 LBNDBASLFVZYJQ-UHFFFAOYSA-N 287.384 3.644 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H](c2ccccc2F)C1 595314681 WAQZTMQZVZZLFE-MAUKXSAKSA-N 280.346 3.880 30 20 CHED C=CCCCC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 748671860 KHULDSOUFMMAKH-UHFFFAOYSA-N 283.711 3.648 30 20 CHED CC1(C)CC(=NOCc2cccnc2)c2ccoc2C1 746587307 ASRMOADIAUNCOR-UHFFFAOYSA-N 270.332 3.568 30 20 CHED COc1cccc(SCCN(CC#N)C2CCCC2)c1 595328356 IEHURAMELUUHPR-UHFFFAOYSA-N 290.432 3.555 30 20 CHED CC[C@@H]1CN(C(=O)[C@@H](C#N)CC)CC[C@H]1c1ccccc1 593498947 VIWMJEZVBZXSPW-BFYDXBDKSA-N 284.403 3.578 30 20 CHED C#CCOc1cccc(NC(=O)NC(CC)(CC)CC)c1 743145877 BSNGFIIWVICVEE-UHFFFAOYSA-N 288.391 3.789 30 20 CHED CCOc1cccc(C/N=C\c2ccc(OCC)cc2O)c1 915982309 WMJDBDJVZDDJNG-UYRXBGFRSA-N 299.370 3.809 30 20 CHED CC(C)c1ccc(C2(C(=O)N3CC(C#N)C3)CCCC2)cc1 590482735 YNAFOPXLTFEVII-UHFFFAOYSA-N 296.414 3.604 30 20 CHED C[C@H](C#N)OCCSC[C@H](C)C1CCCCC1 842183327 LGXDHXOGKVKJLY-QWHCGFSZSA-N 255.427 3.865 30 20 CHED C=C[C@@H](C)ON=C(C)c1ccc(F)cc1OC(F)F 844622454 ZRUKXMTYKWPSGG-MRVPVSSYSA-N 273.254 3.742 30 20 CHED Oc1ccc(Cl)cc1C=Nc1ccc2c(c1)CCO2 914557699 WEVQSVNHFKDVQY-UHFFFAOYSA-N 273.719 3.731 30 20 CHED CCN(C[C@H](C)C#N)C(=O)/C=C(\C)c1cccc(Cl)c1 749914529 ZWNGPOBAHKJQSJ-FMNNIJNLSA-N 290.794 3.751 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C=C1CCCC1 918169787 IQCOLOTWIMXKIJ-UHFFFAOYSA-N 273.351 3.841 30 20 CHED COc1ccc2c(c1)CCCC2=NNCc1ccccc1 916343724 DBGIVVSMXPRWOS-UHFFFAOYSA-N 280.371 3.525 30 20 CHED C[C@H](c1cc(F)ccc1F)N1CCC[C@@H](CC#N)C1 595613332 BDKYRWMVWVFNPP-NEPJUHHUSA-N 264.319 3.651 30 20 CHED N#Cc1cccc(COC(=O)CCCC2CCCC2)c1 744120188 XLLAJAGXWPBLTI-UHFFFAOYSA-N 271.360 3.962 30 20 CHED C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 741466476 SRXSBSNFVLSHLD-OKHBPPCESA-N 276.336 3.688 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C/c2c(O)cccc2OC)C1 749008303 UWVRLRRFBJWQCT-MDDWGPDPSA-N 293.432 3.884 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C=C(\C)c1cccc(Cl)c1 847167648 JOAXCPPTXSCLKM-ZHZWZMEUSA-N 276.767 3.504 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)Cc1cccc(C2CC2)c1 842333041 FIAWWIXGVATTAE-HNNXBMFYSA-N 271.360 3.588 30 20 CHED CCCCC[C@@H](C(=O)N(C)[C@H](C#N)CC)C(C)C 847168370 MKWGLESSVPIYNO-UONOGXRCSA-N 252.402 3.599 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)c1ccc(F)cc1F 843268798 KWUUHUBRYMKKIK-GQCTYLIASA-N 290.313 3.713 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CCc2c(F)cccc21 747816186 VBUVLPHOVIWGMP-GOSISDBHSA-N 295.357 3.615 30 20 CHED COc1cc(CN2CCC[C@@H](CC#N)C2)cc2ccccc12 597177540 OQYLVZDMHXBORO-HNNXBMFYSA-N 294.398 3.974 30 20 CHED COc1cccc(C=Nc2ccc([C@H]3CCOC3)cc2)c1O 840706725 OHRMLXPCUNILNY-HNNXBMFYSA-N 297.354 3.655 30 20 CHED CCCO[C@H]1CCCN([C@@H](C#N)c2ccccc2)CC1 595311058 HTTRTRGTTNNOHP-IRXDYDNUSA-N 272.392 3.532 30 20 CHED N#CCc1ccccc1NC(=O)c1cc[nH]c1C1CCC1 594354810 UHAMPNSDKUDYII-UHFFFAOYSA-N 279.343 3.601 30 20 CHED C=CCCCCCCCCNC(=N)N(C)C1CC1 849028175 DKYGBCOXTHQZKY-UHFFFAOYSA-N 251.418 3.522 30 20 CHED CSCCCCC(=O)O[C@@H](C)c1cccc(C#N)c1 740546262 SXHYQMVQDPKPJO-LBPRGKRZSA-N 277.389 3.696 30 20 CHED C=C(CC)CNC(=S)Nc1ccc(OC)c(Cl)c1 840826286 JTONTIZEPJBJDN-UHFFFAOYSA-N 284.812 3.601 30 20 CHED CCC(C)(C)CC(=O)OCc1ccc(C#N)cc1F 745773839 BTFISJMZESCCTF-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C#CC[C@H](NC(=O)N1CCCC[C@H]1CC)c1ccccc1 757768946 RUWTZJIUVRGJBI-SJORKVTESA-N 284.403 3.725 30 20 CHED Cc1ccc([C@@H](CN[C@@H](C)CC(C)(C)C#N)N(C)C)cc1 924850464 MSAXRSXHQWPOSG-DOTOQJQBSA-N 287.451 3.516 30 20 CHED C=CCSCCN[C@@H](c1ccc(C)cc1)c1ccccn1 925349479 CBPJQAVHFGNHGK-SFHVURJKSA-N 298.455 3.988 30 20 CHED CCCCCCCCNC(=O)C1CCN(C(C)C)CC1 755214405 FCYQQFNEHKXXFM-UHFFFAOYSA-N 282.472 3.584 30 20 CHED CC(C)c1nc(C#N)c(NN=C2c3ccccc3C[C@H]2C)o1 751133988 SJRLFHZNYVWUFA-LLVKDONJSA-N 294.358 3.678 30 20 CHED Cc1ccc2occ(CC(=O)OCCC(C)(C)C#N)c2c1 859797296 UZSJOZFVCFICJY-UHFFFAOYSA-N 285.343 3.767 30 20 CHED CCc1ccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)o1 752238910 ZHMOMKSQLJVWHS-WAYWQWQTSA-N 299.157 3.778 30 20 CHED CC1(C)C(=NNc2cnnc3ccccc23)[C@H]2CCC[C@H]21 853308124 XKFFOQYKOWTCCJ-WCQYABFASA-N 280.375 3.854 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1cc(Cl)ccc1O 757468658 UUSYTRGRAUDDOX-HYXAFXHYSA-N 294.137 3.990 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)O[C@H](C)C(C)(C)C#N 753628577 JTHNIUNEYUNKJI-SNVBAGLBSA-N 294.420 3.844 30 20 CHED CCn1ccnc1C=NN[C@@H](C)c1ccc(C(C)C)cc1 755662536 UFSXENWZIYRHFR-AWEZNQCLSA-N 284.407 3.711 30 20 CHED C#C[C@](C)(CC)NC(=O)CCCc1ccc(SC)cc1 854692602 FFAFOANBDPXSBL-QGZVFWFLSA-N 289.444 3.649 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(F)c(C(=O)CC)c2)c1 756903973 BLJQBDDZAVXIOL-UHFFFAOYSA-N 295.313 3.652 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(C)s2)c1 759212462 FTUYVUCMMBCSAF-UHFFFAOYSA-N 264.325 3.650 30 20 CHED C#CCCNc1ccc(SC)c(Br)c1 863355703 WDCMGHHBQCZBFI-UHFFFAOYSA-N 270.195 3.606 30 20 CHED CC[C@@H](CC#N)NC(=O)/C=C/c1ccccc1C(F)(F)F 867419500 KYADBDDCELOCPK-GUOLPTJISA-N 296.292 3.527 30 20 CHED C#CCCCOc1cccc(NC(=O)c2ccccc2)c1 766751534 STSNUNVLOCXYPG-UHFFFAOYSA-N 279.339 3.731 30 20 CHED CCCCCCCc1nc(Cc2ccc(C)nc2)no1 761775039 RQEARGSRXULHQX-UHFFFAOYSA-N 273.380 3.877 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@](C)(C#N)CCc1ccccc1 932438118 HSEQVOHPBMGATJ-CRAIPNDOSA-N 284.403 3.620 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccco2)cc1OC 769772085 VRUBZXKCIXOAHQ-VURMDHGXSA-N 272.300 3.583 30 20 CHED C#CCCCN(Cc1ccc2c(c1)OCO2)C1CCCC1 766895233 BMIYJGDLYCWLJJ-UHFFFAOYSA-N 285.387 3.573 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(Cl)c2occc12 936053906 QEGXBKMTNHCIJV-HNNXBMFYSA-N 288.734 3.508 30 20 CHED Clc1cncc(NN=CCC[C@@H]2C[C@H]3CC[C@H]2C3)n1 768774364 SZWNWLUQHOPKOG-UTUOFQBUSA-N 278.787 3.744 30 20 CHED C#CCCCCCC(=O)NCCC1CC(OC(C)(C)C)C1 762398791 WLIJMJHAZAXIKP-UHFFFAOYSA-N 293.451 3.670 30 20 CHED Cc1cc(Cl)ccc1C=Nn1c(S)nnc1C(C)C 767363506 YHFFFROIBOYYAJ-UHFFFAOYSA-N 294.811 3.534 30 20 CHED CCCCCCCNC(=O)[C@H]1CCO[C@H](CCC)C1 862357806 HOAPXUAGFZQVRQ-LSDHHAIUSA-N 269.429 3.668 30 20 CHED C[C@H](c1noc(Cc2ccccc2CC#N)n1)C(C)(C)C 762144365 GEXVOWQQNNJFQB-GFCCVEGCSA-N 283.375 3.876 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 767254439 JLXXUFUFPIQWCK-BXUZGUMPSA-N 297.320 3.679 30 20 CHED CC(CCN(C)C)=NNc1c(Cl)cccc1Cl 767384577 GASMTLZLVPFGKK-UHFFFAOYSA-N 274.195 3.733 30 20 CHED C#CCCCOC(=O)CCSc1ccccc1Cl 766863510 BTHANTWUEWWOFH-UHFFFAOYSA-N 282.792 3.779 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1Cl)c1cccnc1 761476624 TZQZFSLKASMCTR-HWKANZROSA-N 279.126 3.680 30 20 CHED N#Cc1cc(C(=O)Nc2ccccc2OCC2CC2)cs1 1117798538 WRUMKSAHYJZUHU-UHFFFAOYSA-N 298.367 3.661 30 20 CHED COc1cc(F)ccc1NN=C(C)c1cc(C)oc1C 761885705 WYMNKUZSWCDAOB-UHFFFAOYSA-N 276.311 3.880 30 20 CHED C=CCN(C(=O)N[C@@H]1c2ccccc2CC[C@H]1C)C(C)C 763093401 XQJYUTKCWMRYHH-PBHICJAKSA-N 286.419 3.916 30 20 CHED COC(=O)c1cccc(NN=C2CCC[C@H]2C(C)C)c1 779826694 AVEOCJCNUJDZKW-AWEZNQCLSA-N 274.364 3.697 30 20 CHED COc1ccc(C#N)cc1COC(=O)C(C)(C)CC(C)C 772281659 YBMZBGRMNHJXKZ-UHFFFAOYSA-N 289.375 3.682 30 20 CHED C#CCCCCCC(=O)N1C[C@H](CC)Oc2ccccc21 779966007 ZFHWEGCRFQRDMP-HNNXBMFYSA-N 285.387 3.774 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)s1 772797326 OZGSFECMLILVNW-WAYWQWQTSA-N 271.316 3.963 30 20 CHED C=CCOc1ccccc1C(=O)N1CCc2cc(C)ccc21 773752798 UYSRUJWBHBJQOF-UHFFFAOYSA-N 293.366 3.763 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C(C)(C)C)C(F)(F)F 1116936266 CMATWOSDPWYRMD-ZDUSSCGKSA-N 298.308 3.574 30 20 CHED CC(=NOCCC(F)(F)F)c1cccc(OC(F)F)c1 777455257 BPXRTTYQRWSPEB-UHFFFAOYSA-N 297.223 3.981 30 20 CHED FCc1ccc(CON=C2CCOc3ccccc32)cc1 777542790 UKQUVLCNXMDOBM-UHFFFAOYSA-N 285.318 3.860 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(Cl)cc(C(=O)O)c1 776640893 KFQQJLZYZVPOJY-UHFFFAOYSA-N 293.750 3.745 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1[C@H]2CCCO[C@@H]2C1(C)C 773124807 LMWGEWRMXGFZDX-IPYPFGDCSA-N 278.440 3.736 30 20 CHED C#CCCCCCC(=O)NCc1cc(F)ccc1SC 779927154 WVXPBVLYKBIHDX-UHFFFAOYSA-N 293.407 3.748 30 20 CHED C#CC[C@@H](NCc1ccc(C)nc1C)c1ccccc1 775652451 HBWNMOJHTHYXNI-GOSISDBHSA-N 264.372 3.553 30 20 CHED Cc1csc(C=NNc2nc3ccccc3cc2C)n1 776782886 MXLONYZLDRCJKJ-UHFFFAOYSA-N 282.372 3.754 30 20 CHED C=C(CC)COC(=O)c1ccccc1Br 773429158 CRACZSJPIRKJNZ-UHFFFAOYSA-N 269.138 3.572 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 779922450 INZFVUUHMGLHEA-BZUAXINKSA-N 261.409 3.655 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)CSc1ccc(C)cc1 770414561 IONUZXKXFXRBAG-LBPRGKRZSA-N 298.839 3.527 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccccc1Cl 782197636 UYFBCFMAAOZTNZ-OAHLLOKOSA-N 282.767 3.612 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccnc1Cl 787028163 UQPMSQMNXLGBRE-MEDUHNTESA-N 297.789 3.945 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H](CF)C1)c1ccccc1 881598087 JWESMFXIGIGRIA-LSDHHAIUSA-N 275.367 3.554 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2scnc2c1 1126697540 CPNCGZJCPOSBSS-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc3sccc3c2)C1 1122717747 NGLIALOBQMBJKW-MFKMUULPSA-N 271.341 3.750 30 20 CHED C[C@@H](NC(=O)CCc1ccc(C#N)cc1)C1CCCCCC1 1127859482 KMRGUFZQJNEOSH-OAHLLOKOSA-N 298.430 3.966 30 20 CHED N#Cc1ccccc1COc1ccccc1OC(F)F 106068088 WUYFIXPNIIJKIA-UHFFFAOYSA-N 275.254 3.739 30 20 CHED CCNc1ccc(C#N)cc1NCCCCOC(C)(C)C 788794973 KMDKGDJZQMNLJI-UHFFFAOYSA-N 289.423 3.997 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)OCCCCC(C)(C)C#N 785937994 YACGZJFKQAEWFB-OAHLLOKOSA-N 295.423 3.987 30 20 CHED CC(C)(C#N)CCCOC(=O)c1c(F)cc(F)cc1F 783854038 WLFHXYXWYFZRBA-UHFFFAOYSA-N 285.265 3.591 30 20 CHED C=CCCCCCOC(=O)c1sc(N)nc1C1CC1 784386693 BCIVIAAVBAVQTD-UHFFFAOYSA-N 280.393 3.506 30 20 CHED N#CC1(CNCc2cccc(COc3ccccc3)c2)CC1 894205961 ZSKYFGBKYIXRRS-UHFFFAOYSA-N 292.382 3.659 30 20 CHED O=C1/C(=C\c2ccccc2)CCOc2cc(F)ccc21 781556305 WRHILDAVMOYCAO-RAXLEYEMSA-N 268.287 3.875 30 20 CHED CCC(=NNc1cnc2ccccc2n1)c1cccc(F)c1 783512846 GTGLBQISEWHJCA-UHFFFAOYSA-N 294.333 3.995 30 20 CHED Clc1cccc(C=NNCCc2ccccn2)c1Cl 789113228 SDEIAOOYBGYHOY-UHFFFAOYSA-N 294.185 3.555 30 20 CHED C#CCCCCCc1nc([C@@H]2CCC(F)(F)C2)no1 799189624 DMHOGOSOVFDLCQ-LLVKDONJSA-N 268.307 3.709 30 20 CHED C=C1CCN(C(=O)N[C@@H](c2cccs2)C2CC2)CC1 891690343 ADXSOUFPFAECAJ-CQSZACIVSA-N 276.405 3.561 30 20 CHED N#CCOc1ccc(CN2CCc3cc(Cl)ccc32)cc1 796279699 DLPYIPPOICWNJP-UHFFFAOYSA-N 298.773 3.805 30 20 CHED C=C1CCC(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)CC1 891130658 QWTSAQGVQLGIRX-INIZCTEOSA-N 284.403 3.738 30 20 CHED C=CCCCOC(=O)CSc1cc(C)ccc1C 735523392 LOXWEWJUIZCRCB-UHFFFAOYSA-N 264.390 3.905 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2cc(C#N)ccc2C)CC1 592587378 IRZKQFCLWLXXLY-HNNXBMFYSA-N 268.360 3.942 30 20 CHED CCc1c(C(=O)OCCCCC#N)cnn1C(CC)CC 791591488 UALWLBODVAPEEP-UHFFFAOYSA-N 291.395 3.657 30 20 CHED FC(F)(F)c1csc(NN=C2CCC23CCC3)n1 799880746 HDBXGEOOGHKRCH-UHFFFAOYSA-N 275.299 3.894 30 20 CHED CC(=NNc1ncccc1C)c1cc(Cl)ccc1O 790191125 RUNFAPSPESZYSJ-UHFFFAOYSA-N 275.739 3.585 30 20 CHED CC(C)c1ccc2cc(C(=O)N[C@@]3(C#N)CC3(C)C)[nH]c2c1 794149084 XVCCQFPAYTXOLE-GOSISDBHSA-N 295.386 3.713 30 20 CHED C#CC[C@@H](OC(=O)c1cccc2oc(C)nc12)C(C)(C)C 798210732 HYYKYKYZZDFZTQ-CQSZACIVSA-N 285.343 3.731 30 20 CHED Cc1cc(C)c(/C=C/CN(C)C[C@H](C)C#N)cc1C 1204826546 LXAVBKPQRKLAIL-KTRBRXNASA-N 256.393 3.717 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(OCC#N)c2)oc1C 799897385 OXHSGVAJOYLWCF-VOTSOKGWSA-N 281.311 3.695 30 20 CHED C=CCSCCN[C@@H](CC)c1ccc(C)cc1O 794809226 DNPQLTIIHASVEB-AWEZNQCLSA-N 265.422 3.661 30 20 CHED c1ccc2c(c1)CC1(CCOCC1)C2=NNC1CCCCC1 794932194 CCXOOKMOSSXNLC-UHFFFAOYSA-N 298.430 3.666 30 20 CHED Clc1ccccc1[C@@H]1CCCC1=NNc1cncnc1 794975976 BCHUEBIMBNDPFS-ZDUSSCGKSA-N 286.766 3.866 30 20 CHED Cc1cc(C(=O)Nc2ccc(Cl)cc2C#N)ccc1F 695724381 KIXUPWRCKUJFKW-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CSCC1CCC(N[C@@H](C)CC(C)(C)C#N)CC1 695841164 GDOFWSWDTYATHK-HSBZDZAISA-N 268.470 3.826 30 20 CHED C=CCCOCCN[C@@H](C)c1ccccc1OC(F)F 90883535 IQAWZNTXUIKXCA-LBPRGKRZSA-N 285.334 3.531 30 20 CHED C=C(Cl)CNCc1ccc(OC)c(C(C)(C)C)c1 1308281841 CDDWGGWNOQVKTO-UHFFFAOYSA-N 267.800 3.835 30 20 CHED CCc1cccc2c1N(Cc1ccc(F)cc1C#N)CC2 1167860440 TYFJZZGODXKUNO-UHFFFAOYSA-N 280.346 3.822 30 20 CHED CCSCc1ccc(Nc2nnc(C)c(C)c2C#N)cc1 1163319659 MTPFRGSUGSZKDL-UHFFFAOYSA-N 298.415 3.962 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(C(F)(F)F)ccc1Cl 1329947641 GOKFSKIWQPLCEA-MRVPVSSYSA-N 291.656 3.818 30 20 CHED Cc1ccc2c(c1)CN(Cc1cccc(C#N)c1F)CC2 1249671873 FRETTWOOWAGYSC-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C)c(Br)c(C)n1 1325003032 PYLKTTZOOPVMHX-UHFFFAOYSA-N 297.196 3.612 30 20 CHED N#Cc1ccc(-c2nnc(C[C@@H]3C[C@H]4CC[C@H]3C4)o2)cc1 1322325179 JOGFOFUKDRGCJC-QEJZJMRPSA-N 279.343 3.587 30 20 CHED CSc1ccccc1C(C)=NNc1cncc(Cl)n1 1321348655 AAVGWYMRXPTSJB-UHFFFAOYSA-N 292.795 3.688 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2ccc(OCC#N)cc2)C1(C)C 1320388926 YVWACEFKWCUOLR-JKSUJKDBSA-N 288.391 3.593 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C1(c2cccs2)CCCCC1 1339162094 QWDRLWHGWFCRQK-ZDUSSCGKSA-N 290.432 3.711 30 20 CHED CCc1ccc([C@H]2CCN(Cc3cccc(C#N)n3)C2)cc1 1182072384 PCUANNJQNHTVNT-KRWDZBQOSA-N 291.398 3.505 30 20 CHED CC[C@@H](C)c1nnc(-c2cc3ccccc3n2CC#N)o1 1257868824 UTCPFBOSMJDLFX-LLVKDONJSA-N 280.331 3.728 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCC[C@H](SCC)C1 1335807774 XYQTYASZXNJEON-STQMWFEESA-N 255.427 3.523 30 20 CHED C=C[C@](C)(CC)c1nnc(-c2ccc(Cl)nc2)o1 1330102076 XAEYWGJJPUCBGE-CYBMUJFWSA-N 263.728 3.639 30 20 CHED C=CCCc1ccccc1NC(=O)c1ocnc1CC 1335909243 NPVUOFQRTJQALP-UHFFFAOYSA-N 270.332 3.608 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccsc1Cl 1337488511 NABIBNVBOFECPG-JTQLQIEISA-N 269.797 3.972 30 20 CHED N#CC[C@H](OC(=O)[C@@H]1CCc2ccccc2C1)c1ccco1 1263660543 IZEJNMBHURFRRK-WBVHZDCISA-N 295.338 3.583 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(Cl)nc(Cl)c1 1337557454 BCDASCDGVROXKZ-LLVKDONJSA-N 299.201 3.959 30 20 CHED C=C(CC)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 1347376455 YTDDEZLYFOLTAY-UHFFFAOYSA-N 295.386 3.791 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CC(C)(C)C[C@H]1C 1340532111 VLEPUEMLUNUXHG-NEPJUHHUSA-N 294.468 3.513 30 20 CHED N#CCC1(COC(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 1346740809 VJVUAFPINSEOCI-UHFFFAOYSA-N 298.317 3.671 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 1275796825 ITOIRDJUAKVGTE-UHFFFAOYSA-N 295.729 3.644 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCC12CC3CC(CC(C3)C1)C2 1350003110 AVIRXVRQZLXYKS-UUMMVJRDSA-N 288.435 3.649 30 20 CHED CCCCCCCC(=O)NCc1cccc(C#N)c1 106324156 MKMGGFYURZQZLV-UHFFFAOYSA-N 258.365 3.535 30 20 CHED C=C(C)CCC(=O)N(Cc1ccco1)Cc1ccco1 1353467571 RNQWSSPJUNQPRE-UHFFFAOYSA-N 273.332 3.758 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC(C)(C)c1ccccc1 1437486613 PFPYXCZVUPEHIS-UHFFFAOYSA-N 292.382 3.574 30 20 CHED CCc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1CC 1515114464 NNJAGROLHKJGQI-MRXNPFEDSA-N 278.355 3.696 30 20 CHED CCCC[C@@H](CC)CC(=O)Nc1cnc(OC)c(C#N)c1 1289071619 NBRIHMZHFWSCGR-GFCCVEGCSA-N 289.379 3.507 30 20 CHED Cc1ccc2c(CCC(=O)O[C@H]3CC[C@@H](C#N)C3)c[nH]c2c1 1516749049 HGNKDXCQLAJPRF-HIFRSBDPSA-N 296.370 3.644 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1F 225785463 SGVRIUURDOESLS-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1ccc(C(=O)O)o1)C2=O 1600552053 AJMKADRLWDPRGY-GARZTLJTSA-N 282.295 3.670 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(C(=O)O)co2)cc(C)c1F 1600075500 BSIAEECPOVSQJQ-ARJAWSKDSA-N 288.274 3.630 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@H]1Cc1ccc(C)cc1 1537939064 ZUUPVBUKXBWLKM-KRWDZBQOSA-N 298.430 3.859 30 20 CHED C=C(Br)CSc1cc(F)ccc1F 307453409 SJPBAWLYUAFOGF-UHFFFAOYSA-N 265.122 3.966 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)[C@@H](CC#N)c1ccccc1 1531654993 XQPVBURHLQFQFY-KRWDZBQOSA-N 290.366 3.582 30 20 CHED Cc1c(C(=O)/C=C\c2cc(C(=O)O)co2)oc2ccccc12 1610406872 GZHREBVUCOHNMF-SREVYHEPSA-N 296.278 3.929 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H](C)Cc1cccs1 1543490980 PTZRYQFLUSEOHU-CYBMUJFWSA-N 298.411 3.631 30 20 CHED CC[C@H](Nc1ccc(Cl)c(C#N)n1)C1CCCC1 1639909294 WKTUIODLYWPHAJ-LBPRGKRZSA-N 263.772 3.987 30 20 CHED C=CCCOCCNCc1ccc2ccccc2c1 120859795 AMNDMZOWEALPQP-UHFFFAOYSA-N 255.361 3.522 30 20 CHED CCN(CCOc1cccc(C#N)c1)c1cccc(C)c1F 1648103364 QMINFNUJNOHPRV-UHFFFAOYSA-N 298.361 3.911 30 20 CHED Cc1cc(CN2C[C@H](C)Oc3ccccc32)ccc1C#N 1659345720 MOEDHOKUEKGXLT-AWEZNQCLSA-N 278.355 3.654 30 20 CHED C=CCC[C@@H](Nc1ccc(C(=O)O)cn1)c1ccccc1 1588778599 GFVOCRIHGGEHFS-OAHLLOKOSA-N 282.343 3.899 30 20 CHED CC1(C)CCC/C(=C/c2ccc(/C=C\C(=O)O)o2)C1=O 1593885523 MMUVIJDUXXXRAZ-NQLNTKRDSA-N 274.316 3.540 30 20 CHED C[C@H](Sc1nc(C(=O)O)cs1)c1cccc(C#N)c1 1593678947 CMLGEUZJIMOUQR-QMMMGPOBSA-N 290.369 3.566 30 20 CHED CCC(=NNc1ccc(C(=O)O)c(F)c1)c1ccccc1 1776073105 CFWIZMXISAQQNM-UHFFFAOYSA-N 286.306 3.750 30 20 CHED C=C(Cl)C[C@@H](NCc1cc2ccccc2s1)C(=O)O 1776142862 DNPZNTHXTYIDSL-GFCCVEGCSA-N 295.791 3.587 30 20 CHED N#Cc1cccc(CN2C(=O)c3cccc4cccc2c34)c1 14214563 FEKHLFFVOQABKC-UHFFFAOYSA-N 284.318 3.872 30 20 CHED C=CCn1c(SCCCF)nnc1-c1ccc(F)cc1 150887083 KXRUZGOUZGAOGS-UHFFFAOYSA-N 295.358 3.722 30 20 CHED N#Cc1ccc(OC(=O)c2cc(Cl)ccc2F)c(F)c1 158049202 GMKBJFGGQDJRLF-UHFFFAOYSA-N 293.656 3.709 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(CCC#N)CC2CC2)cc1 158872729 XOVYBRAHRTUZAD-HNNXBMFYSA-N 298.430 3.895 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(CC)ccc1O 163046472 KDVMQGPWXTUGFJ-UHFFFAOYSA-N 259.349 3.662 30 20 CHED Cc1cc(C#N)ccc1COc1cccc2cccnc12 165548048 PPTLVHCAWDPBLH-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=CCN[C@H](c1ccc(OC)cc1)c1ccccc1OC 152191611 ZJUADKKABPPWBB-GOSISDBHSA-N 283.371 3.569 30 20 CHED CC#CCCN1CCC(c2c[nH]c3ccc(OC)cc23)CC1 155211628 NSGHLQZCQFFMMP-UHFFFAOYSA-N 296.414 3.769 30 20 CHED Cn1c(SCc2ccc(F)c(C#N)c2)nc2ccccc21 157964423 QVZCRMYICSXKRM-UHFFFAOYSA-N 297.358 3.876 30 20 CHED N#Cc1ccc(N2CCC([C@@H]3CCCO3)CC2)c(Cl)c1 893386895 HFJJWUOFIQSURG-INIZCTEOSA-N 290.794 3.607 30 20 CHED N#Cc1ncccc1NCc1cccc(C(F)(F)F)c1 129819225 NTLIRIJOKXAJRW-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C[C@H](CCNc1cnccc1C#N)c1ccccc1 135605834 KFXHUMMJWZXGHM-CYBMUJFWSA-N 251.333 3.559 30 20 CHED N#Cc1ccc(NCc2cccc(C(F)(F)F)c2)cn1 149323293 VHCJAORVCYQWTL-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CC(C)c1nc(C(=O)N(CCC#N)CC(C)(C)C)cs1 170899006 VUMFTPYNDORGKN-UHFFFAOYSA-N 293.436 3.668 30 20 CHED Cc1cc(C#N)ccc1OC[C@H]1CCCC1(F)F 562820090 RYBJAKHRZFXCNY-GFCCVEGCSA-N 251.276 3.681 30 20 CHED Cc1cnccc1CCNc1ccc(C#N)c(Cl)c1 301844402 LPCLNKIFIQGWGJ-UHFFFAOYSA-N 271.751 3.570 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H](F)C2)c(Br)c1 309546189 DKXNDUVPDUHHME-VHSXEESVSA-N 283.144 3.623 30 20 CHED C=C(C)CCN[C@H]1CCC[C@@H]1OCc1ccccc1 510632265 VTFRRHRIRFJIPV-IRXDYDNUSA-N 259.393 3.680 30 20 CHED Cc1cc(C#N)ccc1Oc1c(F)c(F)nc(F)c1F 80918326 IVVWGAHKZZHKSD-UHFFFAOYSA-N 282.196 3.610 30 20 CHED N#CCOc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)cc1 81625158 XHRHDUKVYRBLPH-GDBMZVCRSA-N 270.376 3.970 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 463246462 CVJHTJMUTDONOL-NZSAHSFTSA-N 286.463 3.984 30 20 CHED CC(C)OC1CCN(c2ccc(C#N)c(Cl)c2)CC1 530676870 AXILZRYEOTVTHP-UHFFFAOYSA-N 278.783 3.605 30 20 CHED C=CCC[C@H](C)NCc1cc(Cl)c2c(c1)OCCCO2 541772543 FZESYIIHTGQOQK-LBPRGKRZSA-N 295.810 3.946 30 20 CHED Cc1ccc(CCC(=O)NCC(C)(C)CC#N)cc1Cl 590916023 WIERURNDCMZGEF-UHFFFAOYSA-N 292.810 3.637 30 20 CHED C#C[C@H](NC(=O)Nc1cccc2ccccc12)C(C)C 379593348 AIQIQKDYHDLAPV-HNNXBMFYSA-N 266.344 3.619 30 20 CHED Cc1scc(C(=O)Nc2cccc(CC#N)c2)c1C 399827936 LLNUKKGEGZPNCQ-UHFFFAOYSA-N 270.357 3.683 30 20 CHED CC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)C1CCCCC1 52338561 PDMKRYQRKSSHDP-QZTJIDSGSA-N 286.419 3.540 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 177141342 CLTQYPLDXGUKQT-QGZVFWFLSA-N 299.418 3.526 30 20 CHED C=CCCC(=O)Nc1nnc(CC2CCCCC2)s1 103420725 DYPONUYBBHBZOS-UHFFFAOYSA-N 279.409 3.566 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C#N)cc1 115135294 GXBLGOVHCOZPGN-RDTXWAMCSA-N 290.366 3.576 30 20 CHED C=C(C)CN(CC)C(=O)c1occc1COc1ccccc1 55207089 ZKOUYWZZXOCLJK-UHFFFAOYSA-N 299.370 3.897 30 20 CHED C=CCn1c(S[C@@H]2C=CCCC2)nnc1-c1ccncc1 171791819 MVGHTTGMFZWPDH-CQSZACIVSA-N 298.415 3.727 30 20 CHED Cc1cc(C(=O)NCC#N)sc1-c1cccc(Cl)c1 102346165 IAGSODQSIPUNPX-UHFFFAOYSA-N 290.775 3.630 30 20 CHED Cc1ccsc1/C=C\C(=O)c1cccc([N+](=O)[O-])c1 103259877 XOTDZUVSSHSFEC-WAYWQWQTSA-N 273.313 3.861 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(-c2ccccc2)nc1C 57912337 HDVMCMHGMWIYIP-UHFFFAOYSA-N 292.382 3.871 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 111702911 KIHSHCSGZJNKBD-UHFFFAOYSA-N 284.281 3.534 30 20 CHED CCCC1(C(=O)Nc2cc(C#N)ccc2C)CCC1 345729138 XQXPPPXAUXJPRX-UHFFFAOYSA-N 256.349 3.776 30 20 CHED Cc1ccc(C)c(NC(=O)CSc2cccc(C#N)c2)c1 177105794 BWSPMCPITSJNEU-UHFFFAOYSA-N 296.395 3.906 30 20 CHED Cc1ccccc1OCCCC(=O)Nc1ccccc1C#N 20261543 NRYGLWKAMAVLTF-UHFFFAOYSA-N 294.354 3.664 30 20 CHED CC(C)n1cc(CN[C@H](CCC#N)c2ccccc2)cn1 178756681 ZQXVONPGYMPNQV-QGZVFWFLSA-N 282.391 3.599 30 20 CHED COc1ccccc1/C(C)=C/C(=O)Nc1sccc1C#N 171179278 HBZRDWSZALMDGS-PKNBQFBNSA-N 298.367 3.670 30 20 CHED Cc1c(C(=O)[C@H](C#N)c2ccccn2)oc2c(C)cccc12 66507130 ZFVGJJPROOELRP-CQSZACIVSA-N 290.322 3.935 30 20 CHED N#Cc1ccccc1SCc1ccnc(Cl)c1 173712236 HXVAXXGYWYRSDE-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C#N 67989145 KGJRNHWJAOQDCZ-ZDUSSCGKSA-N 277.327 3.983 30 20 CHED C=C(C)CN(CC)C(=O)c1cnc(-c2ccsc2)s1 112232718 YTWPCTWOWGYELY-UHFFFAOYSA-N 292.429 3.910 30 20 CHED N#Cc1cccc(C#N)c1NCc1cccc(OC(F)F)c1 302874529 DWZXZZSRXLIGLN-UHFFFAOYSA-N 299.280 3.643 30 20 CHED C#CCN(Cc1cnn(C(C)C)c1)[C@H]1CCc2ccccc21 179203516 LCXPGAHMFHOOAM-IBGZPJMESA-N 293.414 3.587 30 20 CHED C[C@H](N(C)c1ccc2cc(C#N)ccc2n1)C1(C)CC1 301976981 MUCRNTFSMCQFQC-LBPRGKRZSA-N 265.360 3.731 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1csc2c1CC[C@H](C)C2 120701264 SUMHLUMCAPIXGY-ZBEGNZNMSA-N 290.432 3.541 30 20 CHED N#Cc1cc(F)c(N2CC[C@H](Nc3ccccc3)C2)c(F)c1 301258416 UMJLBVWJFDFMTG-AWEZNQCLSA-N 299.324 3.527 30 20 CHED CCCC[C@@H](NCCCC#N)c1ccc(OC)cc1 182156550 FQYQTOOKKINMPF-MRXNPFEDSA-N 260.381 3.820 30 20 CHED CCc1oc2ccccc2c1CN(C)C[C@H](C#N)CCC#N 70870041 XNQHXHLREOMIFU-AWEZNQCLSA-N 295.386 3.871 30 20 CHED Cc1cc(C(=O)OCC(C)(C)CC#N)c2ccccc2n1 184797666 CSFCYVTUNWGXQI-UHFFFAOYSA-N 282.343 3.640 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(Oc2ccncc2)c1 181722408 NFSSDEGVLMDCDI-UHFFFAOYSA-N 297.358 3.914 30 20 CHED CC(C)CCOc1ccc(NC(=O)C2(C#N)CCC2)cc1 73376786 BYMDUVVSJXNWMV-UHFFFAOYSA-N 286.375 3.744 30 20 CHED Cc1ccc(C[C@H](NCC(C)(C)CC#N)C2CC2)cc1 414169753 SADLHQXENJEMRF-KRWDZBQOSA-N 270.420 3.846 30 20 CHED C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)Sc1ccccc1 185848518 IQPDWFWABMHGEI-QLFBSQMISA-N 274.433 3.839 30 20 CHED CN(CC#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 120852313 LOBFIMSBZUQCDV-UHFFFAOYSA-N 290.775 3.664 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc2cnccc2c1 410724384 KNMDZLZKDBILIT-UHFFFAOYSA-N 295.386 3.779 30 20 CHED C=CCn1c(SCCC)nnc1-c1ccccc1C 124141709 CRPAYKOUQMMWAL-UHFFFAOYSA-N 273.405 3.942 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(F)ccc1OC(F)F 121687865 VRAMOEIPMHWYHU-QMMMGPOBSA-N 288.269 3.513 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 121304569 QTDXGIFXGWJQGV-ZDUSSCGKSA-N 295.338 3.714 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](C)[C@@H]1C 416770311 XPLSSOPUUNNTCU-MGPQQGTHSA-N 299.418 3.996 30 20 CHED N#CC1(NC(=O)c2ccc(F)c(Cl)c2F)CCCCC1 182778826 LBVQMVWYZOFAJR-UHFFFAOYSA-N 298.720 3.574 30 20 CHED C=CCCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 73089014 SCOMAVABDYYMDM-CYBMUJFWSA-N 282.368 3.953 30 20 CHED C[C@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1F 125321686 ISZPBYRPMGXMCN-CYBMUJFWSA-N 288.366 3.614 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 185499319 DZYYZDIFHDQCMT-AWEZNQCLSA-N 257.377 3.530 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1OCC 182618914 GUBJZJQQXQDHJW-CYBMUJFWSA-N 261.365 3.560 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 211721447 WNMAXPMMRKSRKX-ALCCZGGFSA-N 289.237 3.769 30 20 CHED C=CC[C@H](CC)NC(=O)CCCOc1ccccc1C 410146822 CSGGSEVEGJOUGJ-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C=CC[C@@H](C(=O)Nc1ccccc1O)c1ccccc1 188523542 NVLGAPVQBBSTAV-CQSZACIVSA-N 267.328 3.691 30 20 CHED C=CCC1(C(=O)Nc2ccc3ccn(C)c3c2)CCC1 189980855 HKLNLOSYSDFSOE-UHFFFAOYSA-N 268.360 3.863 30 20 CHED C#C[C@H](C)NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 186081060 BZBOQJZNKOFPPF-GJZGRUSLSA-N 284.403 3.581 30 20 CHED C=C(C)CN(C)C(=O)C1CCC(c2ccccc2)CC1 180448663 ZUMNGASEOHUOQV-UHFFFAOYSA-N 271.404 3.995 30 20 CHED Cc1cc(NC(=O)C[C@@H]2CCC[C@@H]2C)c(C#N)cc1N(C)C 415687737 FVDVEYLLPKFSTD-JSGCOSHPSA-N 299.418 3.698 30 20 CHED N#CCc1ccc(NC(=O)/C=C/SCc2ccco2)cc1 131870234 VQGWZMDDNUFBJP-DHZHZOJOSA-N 298.367 3.731 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)CC(C)C 506659415 BJCGGOGOUVAJKG-AWEZNQCLSA-N 254.418 3.809 30 20 CHED O=C1CCC(/C(O)=N/[C@@H]2CCCOc3ccccc32)CC1 329845245 QFVWHYDBBIXJGF-OAHLLOKOSA-N 287.359 3.616 30 20 CHED N#CCC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 132660722 KUQDJCXGHHTRTP-MRXNPFEDSA-N 298.773 3.654 30 20 CHED C/C=C(/C)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 89967266 BMROCOZLAWNENW-WVVNNJFASA-N 282.368 3.953 30 20 CHED CC(=O)c1ccc(NCc2cccc(C#N)c2)cc1C 135071401 OAXVNMPEQUVMSZ-UHFFFAOYSA-N 264.328 3.681 30 20 CHED CCC[C@@H](C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505954340 NMVUPTNQOHTBNX-MFKMUULPSA-N 298.308 3.822 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Cc1ccccc1Cl 410130455 LYSNHTGBNMCNRP-GXTWGEPZSA-N 279.811 3.990 30 20 CHED C[C@H](SCc1ncc(Cl)n1C)c1cccc(C#N)c1 190805538 WNBLNNXFZZYVJE-JTQLQIEISA-N 291.807 3.940 30 20 CHED Cc1cc(SCCC#N)c(C(F)(F)F)cc1[N+](=O)[O-] 413469966 LIGFMHDNMYTSKD-UHFFFAOYSA-N 290.266 3.928 30 20 CHED CC1(C)CCC[C@H]1C/N=C(/O)c1snnc1C1CC1 329329218 KYCMJOLVGIQWMA-JTQLQIEISA-N 279.409 3.546 30 20 CHED COC[C@@H](NCCCC(C)(C)C#N)c1ccc(Cl)cc1 193688803 RHKJRVTXIICDOP-OAHLLOKOSA-N 294.826 3.947 30 20 CHED CC(C)(C)Oc1ccc(C(=O)OCC2(CC#N)CC2)cc1 80393513 CKRQSUDBBMKWES-UHFFFAOYSA-N 287.359 3.715 30 20 CHED CC[C@H](/N=C(/O)[C@@H]1CCC(=O)[C@@H](C)C1)c1nc(C)cs1 328961508 QCSXYRNRRMSRRU-WCQGTBRESA-N 294.420 3.864 30 20 CHED C=CCCCN[C@@H](COC)c1ccc(Cl)cc1 193676815 ZGCUIBBCTFGNLX-AWEZNQCLSA-N 253.773 3.583 30 20 CHED CCCCCC[C@@H](C)NC(=O)C(C#N)(CC)CC 44766558 YDGNBIAZLLKPQK-CYBMUJFWSA-N 252.402 3.791 30 20 CHED CC(C)(C)CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 193712202 VHDMRMSKRACNJQ-UHFFFAOYSA-N 273.380 3.655 30 20 CHED Cc1csc(CN[C@@H](CCC#N)c2ccccc2)n1 130453735 JAIZJTKADFNNOZ-AWEZNQCLSA-N 271.389 3.586 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cccc(C)c2C)n1 41520000 LUABCEJMFCLHFC-ZDUSSCGKSA-N 270.357 3.558 30 20 CHED C=C(CNC(=O)N1CC[C@H](C)[C@H]1CC)c1ccccc1 512672670 LTPOXJNTQVWNRR-XJKSGUPXSA-N 272.392 3.530 30 20 CHED Cc1cccnc1[C@H](NCCC(C)(C)C#N)C(C)C 131876361 PJQNSNRAANDTJU-CQSZACIVSA-N 259.397 3.617 30 20 CHED CC[C@H](CC(=O)NCc1ccc(C#N)s1)c1ccccc1 421599799 HHICVITYIAVLGM-CYBMUJFWSA-N 298.411 3.820 30 20 CHED C=CCOc1ccc(CN(CC)CCOCC)cc1Cl 512275897 GVPXTFDPJQSHHY-UHFFFAOYSA-N 297.826 3.763 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC1CCCC1 425127359 IXUPENKTOIMGMG-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED C[C@H]1CN(c2ccc3cc(C#N)ccc3n2)CCC1(F)F 335163425 UCKNFTFHVXPCMJ-NSHDSACASA-N 287.313 3.588 30 20 CHED Cc1ccccc1C[C@@H](N[C@@H]1CC[C@H](C#N)C1)C1CC1 424328745 OJAKEIIIGOYPSS-BMGDILEWSA-N 268.404 3.598 30 20 CHED CCc1ccc(OCc2cccc(F)c2C#N)c(OC)c1 427532729 BHQKIFFJJWPYSH-UHFFFAOYSA-N 285.318 3.847 30 20 CHED C=C(Br)CSc1c(OC)cccc1OC 191295887 SUDHYZINLHFNQN-UHFFFAOYSA-N 289.194 3.705 30 20 CHED CC(C)N(C)c1ccccc1NC(=O)c1cc(C#N)cs1 339196350 ACTGRRCECZAEGO-UHFFFAOYSA-N 299.399 3.717 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C)(C)[C@H]1C1CC1 336526700 VDLWRSRVFHBTKI-OAHLLOKOSA-N 283.375 3.519 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NCc1ccc(C#N)o1 237477378 IFXGBLQXXRKPQU-CHWSQXEVSA-N 260.381 3.846 30 20 CHED CCN(Cc1cccc(F)c1)C(=O)c1cccc(C#N)c1C 337755599 LNEMTLOIZYLXIX-UHFFFAOYSA-N 296.345 3.668 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 424571005 TXYFWJXRBDSQQZ-UHFFFAOYSA-N 286.375 3.576 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1C 96019442 JFLNLLXXYFCADZ-ALCCZGGFSA-N 256.301 3.801 30 20 CHED CC[C@H](C)CN(C)Cc1ccc(N(C)CCC#N)cc1 91796530 JAAWKCGKHIYQLU-HNNXBMFYSA-N 273.424 3.514 30 20 CHED Cn1cc(-c2ccc(/C=C\c3ccc(C#N)cn3)s2)cn1 337875511 YMDAGURLEDMZDM-PLNGDYQASA-N 292.367 3.586 30 20 CHED C[C@H](C(=O)Nc1cc(F)ccc1F)c1cccc(C#N)c1 336037088 WNNNCGYNYKNDRZ-JTQLQIEISA-N 286.281 3.579 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](c1cccnc1)C(C)C 435707908 YZZBSSGKPLEWRH-KRWDZBQOSA-N 293.370 3.640 30 20 CHED C[C@@H](NC(=O)N1CCC(C#N)CC1)c1cccc(C2CC2)c1 333510840 LYTICZYGRBGTAV-CYBMUJFWSA-N 297.402 3.570 30 20 CHED C[C@H](N[C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1 335482148 ZQTLUPPXSOHOFU-DJJJIMSYSA-N 291.398 3.869 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1ncc(-c2ccccc2)o1 245810886 QVTOUEXNRADEOH-UONOGXRCSA-N 283.375 3.884 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@@H](OCCCC)C1(C)C 436304141 GCSUZNWHLVUTBE-TWMKSMIVSA-N 295.467 3.541 30 20 CHED CCCc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 430763636 QRSFCLVMZWARHO-AWEZNQCLSA-N 256.393 3.984 30 20 CHED CC[C@@H]1CCCN(C(C)(C)CN[C@H]2CCC[C@@H](C#N)C2)C1 248782295 IAWMDQLNEDZWFG-ZACQAIPSSA-N 291.483 3.559 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N1CCCC(C)(C)[C@H]1C#N 434032504 RRJMODICXVJMQD-DZGCQCFKSA-N 276.424 3.744 30 20 CHED C=CCn1c(SCC2(C#N)CC2)nnc1-c1ccccc1 347025029 VAAUYUVXOLQOCZ-UHFFFAOYSA-N 296.399 3.527 30 20 CHED CC[C@H](c1ccccc1OC)N(C)Cc1cccc(C#N)n1 602663815 WDVJZJYGDRODAU-QGZVFWFLSA-N 295.386 3.545 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1nccs1 348439840 HSUGFVITMSFRSD-UHFFFAOYSA-N 287.388 3.753 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 437098783 PMWTYCVSXDXCFN-SSDOTTSWSA-N 277.673 3.663 30 20 CHED N#Cc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1 341505601 WRHDCHULCZGFAC-UHFFFAOYSA-N 290.366 3.910 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 432944721 UNISEEDGVYSEQH-FUHWJXTLSA-N 294.329 3.868 30 20 CHED CCCC[C@H](CC)CNC(=O)C1(c2cccc(C#N)c2)CC1 435050444 LNUAGWQUCJRHOI-HNNXBMFYSA-N 298.430 3.922 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(C)c([N+](=O)[O-])c2)o1 255562423 VHXUTYCDOOEVDY-VURMDHGXSA-N 285.299 3.955 30 20 CHED N#Cc1c(F)cccc1-c1ccc(CC2(CN)CC2)cc1 600790354 JXEGFWUNFQTXHJ-UHFFFAOYSA-N 280.346 3.646 30 20 CHED CC(C)(CCN=c1ccc(Cl)c(C#N)[nH]1)c1ccccc1 609448893 SKNYJNLAELWDNN-UHFFFAOYSA-N 299.805 3.808 30 20 CHED Cc1cc(F)cc(N[C@@H](C)CC2(C#N)CCOCC2)c1 602489459 LWTXTDCZGKPUKR-ZDUSSCGKSA-N 276.355 3.645 30 20 CHED CCc1ccc(C=Nn2c(-c3ccco3)n[nH]c2=S)cc1 254741224 JMIFWPRSBKDXHO-UHFFFAOYSA-N 298.371 3.645 30 20 CHED N#Cc1ccc(NCc2ncc(-c3cccs3)[nH]2)c(F)c1 340936147 XDTTZKDTTLWITH-UHFFFAOYSA-N 298.346 3.761 30 20 CHED Cc1oc2ccccc2c1CNC[C@H](C)CCC#N 602611983 OXYRGXYDEDMQTR-GFCCVEGCSA-N 256.349 3.771 30 20 CHED CC(C)(CCC#N)CNc1cnc2cc(F)c(F)cc2n1 340904027 UJLQGCTZYRMMPM-UHFFFAOYSA-N 290.317 3.650 30 20 CHED CC[C@@H](NCCN(C(C)C)C(C)C)c1ccc(C#N)cc1 447507876 IZYUBAXEDYITRA-GOSISDBHSA-N 287.451 3.718 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1[C@@H](C2CC2)[C@H]1C 527861714 YXVUDFYXRHDQQZ-FSPWUOQZSA-N 296.414 3.589 30 20 CHED Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OC(C)C)c1 442763138 AOOHVHQYFFKMTC-GDBMZVCRSA-N 272.392 3.564 30 20 CHED CC[C@H](NCCC(F)(F)F)c1ccc(C#N)cc1 447587860 SEERMKWESRSZSS-LBPRGKRZSA-N 256.271 3.551 30 20 CHED N#Cc1ccc(CSCc2ccc3c(c2)OCO3)cc1 526035670 GICSZBXAWCXEQG-UHFFFAOYSA-N 283.352 3.720 30 20 CHED CC/C(=C/C(=O)N[C@@H](C#N)CC)c1cccc(Cl)c1 254976693 MGGYATWTGFCNDP-RBJHHQRMSA-N 276.767 3.552 30 20 CHED CC(C)CC(C)(C)CNC(=O)c1ccccc1CC#N 601292548 XTMPVAHENFYDNO-UHFFFAOYSA-N 272.392 3.555 30 20 CHED Cc1ccc([C@H]2CCN(c3ccc(C#N)cn3)C2)c(C)c1 359858343 RVEHLWCSTMSOGV-INIZCTEOSA-N 277.371 3.564 30 20 CHED Cc1nc(C)c(C#N)c(SC/C=C\c2ccccc2)n1 255193651 GQNIHFPXURYSLV-TWGQIWQCSA-N 281.384 3.771 30 20 CHED C=CCCC1(C(=O)N2CCc3cc(OCC)ccc3C2)CC1 356523826 WDHAVBKZUUPANJ-UHFFFAOYSA-N 299.414 3.716 30 20 CHED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccncc1 254999267 MYLWDARDNIBCBJ-PLNGDYQASA-N 277.245 3.997 30 20 CHED CCS[C@@H]1CCCCN(C[C@@H](C)CCC#N)C1 602476033 VBWYKAUVKNADCR-UONOGXRCSA-N 254.443 3.534 30 20 CHED CC(C)c1ccc(-c2noc(-c3ccc(C#N)s3)n2)cn1 445512852 DCCUKQMVOZSQAV-UHFFFAOYSA-N 296.355 3.855 30 20 CHED C[C@@H](CCC#N)CN(CC1CCC1)CC(F)(F)F 602485445 QBKMPRBTKMOMIZ-NSHDSACASA-N 262.319 3.591 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1cccs1 601687155 BTPXUCMXIWROAD-UHFFFAOYSA-N 277.433 3.886 30 20 CHED C=CCC1(C(=O)N2CCc3ccc(O)cc3C2)CCCCC1 449809227 BFWXXSNSYVPNFR-UHFFFAOYSA-N 299.414 3.804 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(-c2ccccc2)[nH]n1 538333439 ZTWHTZAUKRMNTB-CYBMUJFWSA-N 283.375 3.551 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)NCC(C)(C)CCC#N)[C@@H]1C 355826737 DMLHELUNBDPNMG-KFWWJZLASA-N 293.455 3.688 30 20 CHED C=C(C)CCSCC(=O)N[C@H](C)c1ccccc1 350768628 ZEZIGFNIXPDDTJ-CYBMUJFWSA-N 263.406 3.563 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1c(C)cccc1C 539650303 MJMSVAMJVAPESG-HNNXBMFYSA-N 259.393 3.707 30 20 CHED Cc1cc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)sc1C 618786936 YGSKLVLIJMWDOF-OAHLLOKOSA-N 296.395 3.654 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(Oc2ccccn2)c1 354378743 AQYZJQSRSDZZIF-UHFFFAOYSA-N 295.342 3.752 30 20 CHED C=C(C)[C@H](CC(=O)NC(CC(C)C)CC(C)C)OCC 535911120 WKHNPJLBPMZTIV-INIZCTEOSA-N 283.456 3.935 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C(C)C)C1 444832269 BQVQKNRCZPMCGO-HNNXBMFYSA-N 285.391 3.767 30 20 CHED N#C[C@@H]1CCC[C@@H](NC2(c3ccc(F)cc3)CCC2)C1 618574254 VJUHWELXKXENSU-CZUORRHYSA-N 272.367 3.877 30 20 CHED CC[C@H](NC(=O)N(C)C[C@H](C)C#N)c1ccc(Cl)s1 265182628 YVKOLICFFNZOOW-ZJUUUORDSA-N 299.827 3.654 30 20 CHED C[C@H](NC1CCN(CC#N)CC1)c1ccc(C(C)(C)C)cc1 610341987 SVRCZFNOXIMORR-HNNXBMFYSA-N 299.462 3.623 30 20 CHED Cc1ccnc(N2CC[C@H](C)C[C@H]2c2ccco2)c1C#N 612085311 ZGMOFLRJWTXWHB-WFASDCNBSA-N 281.359 3.832 30 20 CHED CCN(Cc1ccoc1)C(=O)Nc1cccc(C#N)c1C 610905687 PGVIODXZMTWENA-UHFFFAOYSA-N 283.331 3.514 30 20 CHED CC(C)n1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cn1 268806119 MFXIHCPNGYYMAH-KBPBESRZSA-N 282.391 3.747 30 20 CHED CC[C@@H](CNCc1ccc(C#N)cc1)Oc1cccc(C)c1 531206303 RFGTZEWKAHVMTC-SFHVURJKSA-N 294.398 3.814 30 20 CHED C[C@H]1CC=C(C(=O)N(CCC#N)CC(C)(C)C)CC1 455468183 TUAXDUYYKRDMEI-ZDUSSCGKSA-N 262.397 3.521 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CC[C@H](C)c1ccccc1 611002714 DQENHQZUXWYXBR-GOEBONIOSA-N 272.392 3.625 30 20 CHED C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccsc1 619788005 VOLDXWXMQAKEKN-VIFPVBQESA-N 289.335 3.642 30 20 CHED C=CCC[C@@H](CO)N[C@H](CC)c1ccccc1OC(F)F 453377542 XXAHWTCBQGOHAN-GXTWGEPZSA-N 299.361 3.656 30 20 CHED C=CCSCCN[C@H]1c2cc(F)ccc2C[C@H]1C 541905565 PKORZBUFLRBKCS-IAQYHMDHSA-N 265.397 3.568 30 20 CHED C=CCC1(NC(=O)Cc2cccc(Cl)c2)CCCC1 619103974 HASAZDDMSZMCTP-UHFFFAOYSA-N 277.795 3.888 30 20 CHED N#Cc1ccc(CN(C2CCCCC2)C2CC2)s1 611254873 RSQKSYBEWQGYSM-UHFFFAOYSA-N 260.406 3.917 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(-n2cccn2)cc1 453312575 VHEQFWDXLOYUTA-CQSZACIVSA-N 269.392 3.735 30 20 CHED CC[C@](C)(C#N)c1nc(C2(c3cc(C)cc(C)c3)CC2)no1 453302531 CFUZWHGAEQERTB-QGZVFWFLSA-N 295.386 3.958 30 20 CHED C=C(C)CCNC(=O)C1(c2ccc(C)c(OC)c2)CCC1 452716250 GWNBUSJVWWYQRR-UHFFFAOYSA-N 287.403 3.508 30 20 CHED C=CCC1(NC(=O)CCCC2CCOCC2)CCCCC1 456362550 HOGXKYDUMIBIOE-UHFFFAOYSA-N 293.451 3.979 30 20 CHED CC(C)(CC#N)CNCc1cccc(F)c1Br 459732803 PJKLDSBTJXIWAB-UHFFFAOYSA-N 299.187 3.618 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2ccccc2C(F)(F)F)C1 274234511 UDMONOKBSFQKCF-GXTWGEPZSA-N 296.336 3.920 30 20 CHED Cc1c(C#N)c(SCCC(C)(F)F)nc2c1CCC2 450724572 GOZHINWZXNTSSE-UHFFFAOYSA-N 282.359 3.888 30 20 CHED N#Cc1ccnc(N[C@H](c2ccc(Cl)cc2)C2CC2)n1 450222634 FGZWDGAVIBDNHC-AWEZNQCLSA-N 284.750 3.565 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](CC)CC1 460936928 FWYYSLVPIKLMFZ-OAHLLOKOSA-N 290.455 3.994 30 20 CHED C=CCCC(C)(C)NC(=O)CCO[C@@H](C)CC(C)C 620858596 KKMDWJBWADEZJA-AWEZNQCLSA-N 269.429 3.689 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H](C)CCc2cccn2C)c1 272603446 YBVAOGHJNOUGQJ-CYBMUJFWSA-N 295.386 3.533 30 20 CHED C=CC[C@H]1N(c2nnc(C(C)C)n2CC)CCCC1(C)C 460307005 DIMGSFFKRFCNKW-CQSZACIVSA-N 290.455 3.993 30 20 CHED C=CCCN[C@H](c1c(F)cccc1F)C(F)(F)F 541879549 BEACEHPCUUJNNJ-LLVKDONJSA-N 265.225 3.734 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(COCCOC)cc1 624232779 MIXKVLJBWFMYSM-HUUCEWRRSA-N 277.408 3.862 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)CC(F)(F)F)c1ccccc1 464275462 YOTJNGJMQFTNER-NEPJUHHUSA-N 285.309 3.803 30 20 CHED C/C(=C\C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 371415024 OGIXVFAZGQFPET-WYMLVPIESA-N 292.382 3.530 30 20 CHED CO[C@@]1(C)CCCN(Cc2ccc(Cl)cc2C#N)CC1 280557810 QXUJDENCEBODCW-INIZCTEOSA-N 292.810 3.603 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 469741616 JQKRYUXARBGKCL-PMPSAXMXSA-N 281.440 3.689 30 20 CHED C=CC[C@H](C)N[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 280667758 CDFZQLSPAZILSQ-BFHYXJOUSA-N 277.408 3.750 30 20 CHED C=C(C)CCc1noc([C@H]2CCCN2Cc2ccccc2)n1 285051193 HMLJFVQDBZXURQ-MRXNPFEDSA-N 297.402 3.915 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1cnc(C)s1 637654164 HHPCGXPAPZGVFE-SNVBAGLBSA-N 281.425 3.557 30 20 CHED CC#CCCSc1nc(C)c(C)n1CCCC 462406972 BSYAYWQRYAVRAL-UHFFFAOYSA-N 250.411 3.806 30 20 CHED CC#CCCCC(=O)N1CCCc2c(Cl)ccc(F)c21 466869370 ZGUPTKCNLWCEJQ-UHFFFAOYSA-N 293.769 3.952 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)CCC1CC1 469386688 RPQYRCWXQFMZKB-STQMWFEESA-N 252.402 3.609 30 20 CHED C=CCOc1ccc(CN[C@H]2CCCc3ncccc32)cc1 631629638 QRLJQBLDBDVXIE-IBGZPJMESA-N 294.398 3.814 30 20 CHED Cn1cc(CNc2ccccc2NC(C)(C)C)cc1C#N 281311818 JYHZJKQGXPBGOP-UHFFFAOYSA-N 282.391 3.719 30 20 CHED Cc1nc(Sc2ccc(C#N)cc2)c(Cl)cc1C#N 461764916 BHXBLUUWXQVVCJ-UHFFFAOYSA-N 285.759 3.938 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1ncc(Cl)cc1Cl 557663101 QQVUWLDCKFEQKP-BXKDBHETSA-N 287.190 3.782 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(c2ncccc2C#N)C1 286360504 KVSPWWMUGUOZNW-CJNGLKHVSA-N 263.344 3.541 30 20 CHED Cc1cccc2ncnc(NCC3CCC(C#N)CC3)c12 281742446 XDNJRNLBIPEROJ-UHFFFAOYSA-N 280.375 3.680 30 20 CHED CC1=CC[C@H](Nc2ccccc2O[C@H](C)C#N)CC1 285134237 LNQIQDUKJNAVMI-KGLIPLIRSA-N 256.349 3.888 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CCCOC1 388973802 YPMDOAXRGZZFRT-GHMZBOCLSA-N 298.308 3.804 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](c1nc(C)cs1)C1CC1 281940874 SFXIWBTZGIEYHS-CHWSQXEVSA-N 293.436 3.557 30 20 CHED C=CCOCC(=O)N(c1cccc(C)c1)C(CC)CC 471432348 JTRJHACVSUQMRC-UHFFFAOYSA-N 275.392 3.719 30 20 CHED C[C@@H](CC(F)(F)F)NC(=O)c1ccc(C(C)(C)C#N)cc1 476691210 BLXRFMWCPZQKBW-JTQLQIEISA-N 298.308 3.558 30 20 CHED CCc1ccc(N(CCO[C@H](C)C#N)CC(C)C)cc1 801952965 HFRYLNDUZSRRLR-OAHLLOKOSA-N 274.408 3.640 30 20 CHED C=CC[C@H](C)NCc1cccc(C(=O)OC(C)(C)C)c1 478200575 FYDOCRKKIITHKH-ZDUSSCGKSA-N 275.392 3.696 30 20 CHED CC(C)(C)c1ccc(C(=O)N(CC#N)C2CC2)cc1Cl 290844531 ZIOSBWUDPLYTJD-UHFFFAOYSA-N 290.794 3.766 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 471702087 LWDWGWFFZRKABG-CBBWQLFWSA-N 287.403 3.979 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 297845981 NMVSVAOGPQDPQV-BDAKNGLRSA-N 262.378 3.654 30 20 CHED C=CCCCCNC(=O)N(C)Cc1c(F)cccc1Cl 472855556 VKRSGSQCAXOTBB-UHFFFAOYSA-N 298.789 3.977 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)CCC(F)(F)F 644970911 RUCVQCVNRWIGHB-UHFFFAOYSA-N 280.334 3.573 30 20 CHED Cc1ccc(C#N)cc1OCCCOc1cccc(C#N)c1 389135711 FXCSALROOKZWOD-UHFFFAOYSA-N 292.338 3.586 30 20 CHED C=CCC(CC=C)C(=O)NC1(C(F)F)CCCCC1 561086133 GVYFKMQJABEJCU-UHFFFAOYSA-N 271.351 3.839 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 476026347 NEYCFYXEHQLCFF-APWZRJJASA-N 298.430 3.844 30 20 CHED C[C@H]1CN(c2c(Cl)cccc2C#N)CCC1(F)F 291053834 DZAYPNZCFQBQOM-VIFPVBQESA-N 270.710 3.693 30 20 CHED C[C@@H]1Oc2ccccc2[C@@H]1/N=C/c1cc(Cl)ccc1O 809144112 DFTGYSHRPUVXDP-UWVOYOETSA-N 287.746 3.987 30 20 CHED C[C@@H](C#N)OCCN[C@@H](CC1CCCC1)c1ccccc1 801938902 KCYKDWWSHVXBKA-YJBOKZPZSA-N 286.419 3.826 30 20 CHED C=CCCC1(C(=O)NCC(C(C)C)C(C)C)CC1 476945384 ZGWMJBSOPCEKEH-UHFFFAOYSA-N 251.414 3.777 30 20 CHED N#Cc1cc(C(=O)OCc2ccc3occc3c2)ccc1F 808821175 XRBIPQVXBYNSFV-UHFFFAOYSA-N 295.269 3.801 30 20 CHED C[C@H]1CC[C@@H](C=NNc2oc(C(C)(C)C)nc2C#N)C1 800811544 YLSJTGHEWGVEFL-WDEREUQCSA-N 274.368 3.678 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] 804682407 IZMSQUCLYSMDCL-YGRLFVJLSA-N 296.754 3.641 30 20 CHED Cc1ccc2c(c1)N(c1nc(Cl)c(C#N)s1)CC2 804393718 AIFIBXLQPZOZMO-UHFFFAOYSA-N 275.764 3.671 30 20 CHED Cc1cccc([C@H](C)C(=O)N2CCC(CCC#N)CC2)c1 569849830 FDFSLMAUTIAACK-HNNXBMFYSA-N 284.403 3.641 30 20 CHED COc1ccc(C[C@H](C)C=NOC/C=C\Cl)cc1F 811671848 LBVOAIQDPMRQSB-GHMKFJAMSA-N 285.746 3.768 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1nc2ccccc2cc1Cl 810563506 LAAXNIYODYXDIA-CYBMUJFWSA-N 288.734 3.593 30 20 CHED C=CCC1(C(=O)OCc2oc(C(C)C)nc2C)CCC1 813227618 MIEKEJAEPFWSCR-UHFFFAOYSA-N 277.364 3.896 30 20 CHED CC(C)c1ccc(N(C)C(=O)c2ccc(C#N)o2)cc1 815820147 CQIATURPEGDEBH-UHFFFAOYSA-N 268.316 3.551 30 20 CHED CCOc1ccc(NN=Cc2cc(F)ccc2C)cc1 814985002 OOTJNGRMDUIOKJ-UHFFFAOYSA-N 272.323 3.979 30 20 CHED Cc1ccnc(NN=Cc2ccc3ccc(F)c(F)c3n2)c1 814868526 WTUPHHAPZWNPLD-UHFFFAOYSA-N 298.296 3.662 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc(Cl)c(F)cc1Cl 816472907 WAMKNTNINBYZPD-QMMMGPOBSA-N 288.149 3.664 30 20 CHED C#C[C@@H](NCCCc1ccc(C)nc1)c1ccc(Cl)cc1 811516371 MWOJSJNKPZLYID-GOSISDBHSA-N 298.817 3.940 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)c1cc(C)ccc1C 812891058 JJFYPMUHFVYAKN-UHFFFAOYSA-N 291.394 3.880 30 20 CHED C[C@H]1C(=NOCc2ccccc2)CC[C@@H](C(=O)O)C1(C)C 814792480 RMODEHUESXJSHP-JSGCOSHPSA-N 289.375 3.716 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1ccccc1C(C)(C)C 574416858 DXRSROPJRNESQG-UHFFFAOYSA-N 293.370 3.812 30 20 CHED C=CCCCCCCCN[C@H](C)c1c[nH]ccc1=N 817932800 WZHGSAIQJRCEQY-CQSZACIVSA-N 261.413 3.671 30 20 CHED C#C[C@@H](C)N(C)C/C(C)=C\c1ccccc1OC(F)F 811495963 NHEZQELITFQUKD-KXXVWKPMSA-N 279.330 3.645 30 20 CHED CCCOc1cccc(NC(=O)c2ccc(C#N)s2)c1 486814762 JCLPEGIDJUNYKH-UHFFFAOYSA-N 286.356 3.661 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1ccc(C#N)c([N+](=O)[O-])c1 571817221 ZJJMSUXWJBCJBZ-NSHDSACASA-N 299.305 3.649 30 20 CHED Cc1cc(F)ccc1CCN[C@@H]1CCc2ccc(C#N)cc21 577250058 LYLMUSWIYXUJIN-LJQANCHMSA-N 294.373 3.825 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)OC1CCCCCC1 488813918 JBCWIXAYWNYMRQ-LSDHHAIUSA-N 279.424 3.681 30 20 CHED C(=NNC[C@@H]1CCSC1)c1cc2ccccc2s1 811659283 QIXMIAZMOGKECS-NSHDSACASA-N 276.430 3.578 30 20 CHED CC(C)(C#N)CCCn1c(=O)sc2c(F)cccc21 570841675 JCNWNKYONCXWFY-UHFFFAOYSA-N 278.352 3.532 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1cn(C)nc1C(F)F 812243065 BQOHYIAWQCQYFW-ZZXKWVIFSA-N 294.276 3.701 30 20 CHED COC1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCCC1 483262993 BUYCCBRBFIVIGU-QZTJIDSGSA-N 298.430 3.717 30 20 CHED CC#CCCNC(=O)N[C@H](CC)c1ccc(Cl)s1 483022989 DQGWDLYMWBDXAV-SNVBAGLBSA-N 284.812 3.565 30 20 CHED CC[C@@H]1CCC[C@H](C=NN[C@@H](C)c2ccncc2)C1 819816666 MNAGKINKDVPVQS-ZNMIVQPWSA-N 259.397 3.934 30 20 CHED C[C@H](Sc1cc(C#N)ncn1)c1ccc(Cl)cc1 575859862 AMHFESHLEVPNIE-VIFPVBQESA-N 275.764 3.855 30 20 CHED Cc1cccnc1SCc1cccc(F)c1C#N 488294574 OIMLORXGFBGTCE-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccc(Cl)c(Cl)c1 729935769 PERZEJCEVJRRRZ-UHFFFAOYSA-N 295.173 3.928 30 20 CHED CSc1ccc(C=NNc2cnc3ccccc3n2)cc1 727255437 CWWKAWPBKZXDBO-UHFFFAOYSA-N 294.383 3.798 30 20 CHED CC(CSC(C)(C)C)=NNCc1cc(F)ccc1F 729637743 SLKCMSJEVZWTSS-UHFFFAOYSA-N 286.391 3.962 30 20 CHED C#CCCN(Cc1cccc(C)c1F)CC(F)(F)F 824181440 QMIYUQPCASMAKD-UHFFFAOYSA-N 273.273 3.522 30 20 CHED N#CCc1ccnc(NC(=O)/C(F)=C\C2CCCCC2)c1 826999494 SNXQKWQKTGBUFZ-GXDHUFHOSA-N 287.338 3.520 30 20 CHED CON=C1c2cc(Br)ccc2SC[C@H]1C 729932450 LINOPUUATSZFMP-SSDOTTSWSA-N 286.194 3.541 30 20 CHED C=CCCCCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C 828428297 JSYORUPYHHOXNM-HUUCEWRRSA-N 296.455 3.720 30 20 CHED C=CCCCCN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 829510270 AFZUFLFVAPSCSA-KRWDZBQOSA-N 296.455 3.579 30 20 CHED CC(=O)c1ccnc(N[C@H]2CCCc3cc(C#N)ccc32)c1 664023331 MSWXCKGQFKHHPB-KRWDZBQOSA-N 291.354 3.645 30 20 CHED C[C@@H](Cc1ccsc1)N[C@@H]1CCc2ccc(C#N)cc21 583470555 SFJQEOPNOYHCKT-YVEFUNNKSA-N 282.412 3.828 30 20 CHED Cc1ccc(NN=Cc2cccc(Cl)c2Cl)nn1 729936323 PQXUTCVQSFSMPI-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C=CCn1c(N(C)[C@H](C)c2ccccc2)nnc1C(C)(C)C 584557780 MAHAKOYQYLYLRA-CQSZACIVSA-N 298.434 3.959 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(SC)c(Cl)c1 491619682 BLVJIUUVEHETJD-VIFPVBQESA-N 282.796 3.547 30 20 CHED C=CCC1(NCc2c(C)oc3ccccc23)CCOCC1 668552552 OMQVWXFOJGUYKM-UHFFFAOYSA-N 285.387 3.956 30 20 CHED Cc1cccc2c1C/C(=C/c1cncn1C(C)C)C2=O 901472601 NOAZTGMNBVLBQP-QPEQYQDCSA-N 266.344 3.595 30 20 CHED C=CCCC1(c2nc(-c3ccccc3N(C)C)no2)CC1 583659055 BYCQDTVTQVPYPK-UHFFFAOYSA-N 283.375 3.800 30 20 CHED CC(=NNc1ccc(Cl)c(C)c1)c1cc2n(n1)CCC2 905510464 RYBZLYUIJLEBMC-UHFFFAOYSA-N 288.782 3.627 30 20 CHED C=CCCC[C@H](NCc1c(C)cc(C)cc1C)C(=O)O 900067610 MBJCGCCEUXLJSH-INIZCTEOSA-N 275.392 3.511 30 20 CHED C[C@H](Oc1ccc2c(c1F)CCC2=O)c1ccc(C#N)cc1 582927075 PMJAPOCBAFVHPF-NSHDSACASA-N 295.313 3.966 30 20 CHED CCC[C@H](C)[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1Cl 582551086 LTWFLKCJLCPOOI-MQIPJXDCSA-N 294.826 3.659 30 20 CHED C=CC(C)(C)Cc1nc([C@@H](OCC)C(C)C)no1 904127304 JLPDSBZTIKMUIF-LBPRGKRZSA-N 252.358 3.558 30 20 CHED CC[C@@H]1CCCC(=NNc2cnc3ccccc3n2)C1 734979076 ASQRBULEZACVMV-GFCCVEGCSA-N 268.364 3.998 30 20 CHED Cc1cc(C=NN[C@H](C)C(F)(F)F)ccc1Cl 834997414 BZBMJQVFHBHHCD-MRVPVSSYSA-N 264.678 3.523 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)O[C@@H]1CCC[C@H](C#N)C1 839046927 SFNIOHUPEQIHJL-UONOGXRCSA-N 296.370 3.644 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 836579732 OKOVDCSCJGGWAY-HNNXBMFYSA-N 294.345 3.778 30 20 CHED CCC1(C)CCC(=NN[C@@H](C)C(F)(F)F)CC1 835001432 OGZXELDZOARIIL-FTNKSUMCSA-N 250.308 3.873 30 20 CHED C#Cc1cccc(CN[C@H](C)CCCc2cccnc2)c1 834902673 KFKHMJQXHGQLGX-MRXNPFEDSA-N 278.399 3.564 30 20 CHED CC(C)[C@H](NC(=O)C#CC1CC1)c1ccccc1Cl 837422218 RUDWZAYCTHRYJF-INIZCTEOSA-N 275.779 3.567 30 20 CHED C=Cc1ccc(C(=O)NCC(=C)c2ccccc2)cc1 673342086 KMCDSRSGWLTRGO-UHFFFAOYSA-N 263.340 3.773 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc(F)cc2)o1 732762094 SHLWODJVWNNMNI-QMTHXVAHSA-N 258.296 3.988 30 20 CHED Cc1csc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1Cl 839060712 YRGIGEWOGDLFPZ-VHSXEESVSA-N 283.780 3.949 30 20 CHED CC(C)CN(CCC#N)Cc1cccc(OC(C)C)c1 739914840 PBIFCNYZSVXSGN-UHFFFAOYSA-N 274.408 3.845 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)CCCCCC#N 588156507 XXANJDMTBRDJAL-HUUCEWRRSA-N 264.413 3.936 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCCCCCC1)OCC 836925047 VGWAOLLJSXSNPB-HNNXBMFYSA-N 267.413 3.541 30 20 CHED CCCCCCCCC(=O)OCc1ncc(Cl)n1C 918532812 HWVGYOLYAIKUFF-UHFFFAOYSA-N 286.803 3.867 30 20 CHED C=CCONC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 838707807 QXFVXKIBVYEEPH-LBPRGKRZSA-N 294.420 3.665 30 20 CHED CC(C)CC1(NC2CCN(c3ccc(C#N)cc3)CC2)CC1 595001578 XHJNDINCZUDKCT-UHFFFAOYSA-N 297.446 3.695 30 20 CHED CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)[C@H](C)C(C)C 593969254 ZJKLWZVCEVNYPB-HUUCEWRRSA-N 286.419 3.630 30 20 CHED C=CCCOC(=O)CCc1ccc(OCCC)cc1 744049408 OOIMILJQSVMHNJ-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CC[C@H](OC(=O)c1ccccc1OCC#N)[C@H](C)CC 835587827 JOUIPPIIGOZNRP-OCCSQVGLSA-N 275.348 3.570 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 746680349 SXKGDOQOWIFGPQ-UHFFFAOYSA-N 299.330 3.830 30 20 CHED CCCCCCCCCCN1C(=O)N(C)C(C)(C)C1=O 915667282 LTHQPIVOAYFPJK-UHFFFAOYSA-N 282.428 3.800 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(C2CC2)no1 595549427 JFHUXLOSNDCKKU-GFCCVEGCSA-N 281.359 3.617 30 20 CHED CC(=NNc1nncc2ccccc12)c1cc(F)ccc1F 915909909 UCXYXTFELHVODO-UHFFFAOYSA-N 298.296 3.744 30 20 CHED Clc1ccc2c(NN=Cc3ccncc3)ccnc2c1 916269363 JHFOSLJHMMHXIG-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C=C(C)CCOC(=O)C1(c2ccc(F)cc2)CCC1 744304044 ACSHNZRGIULBGT-UHFFFAOYSA-N 262.324 3.757 30 20 CHED CCc1nc(C#N)cc(N[C@H](c2ccccc2C)C2CC2)n1 596123549 OPYCSXVMABANPQ-SFHVURJKSA-N 292.386 3.782 30 20 CHED C=C(Cl)COC(=O)[C@@H]1CCSc2ccccc21 745425680 AIUAYUOMVJCMJH-LLVKDONJSA-N 268.765 3.562 30 20 CHED Oc1cccc(C=NNc2cccc3ccccc23)c1 747059871 CTXYUEOLMCVBQK-UHFFFAOYSA-N 262.312 3.991 30 20 CHED CCC(=NNc1cncc(Br)c1)[C@H]1C[C@@H]1C 841632332 MPKMNDHQWAXNBN-KWQFWETISA-N 282.185 3.678 30 20 CHED O=[N+]([O-])c1cccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 916268996 KTUNGRXYJJAODL-RABLLNBGSA-N 285.347 3.819 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)CC1(C#N)CCCCC1 596904493 LCUKCRDSIBNENP-KRWDZBQOSA-N 296.414 3.963 30 20 CHED Oc1cccc(/C=N\Cc2csc3ccccc23)c1O 915982110 PBYRKGMWLOOFHG-IUXPMGMMSA-N 283.352 3.932 30 20 CHED Cc1cc(SCc2nnc(C(C)(C)C)o2)ccc1C#N 842633697 LZUDBBITIILHLF-UHFFFAOYSA-N 287.388 3.840 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1 844452232 VXMPEZSYUHUITC-XIRDDKMYSA-N 269.388 3.694 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc(C(F)F)cc1F 593995214 QGYXZJKNRKBMMK-OAHLLOKOSA-N 298.308 3.821 30 20 CHED COc1ccc2c(c1)CCN([C@@H](C)c1ccc(C#N)cc1)C2 595760698 WAUVQMWEWSPPQR-AWEZNQCLSA-N 292.382 3.686 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2cccc(F)c2o1 683788772 SQGHSTPOMYSULQ-LBPRGKRZSA-N 273.307 3.753 30 20 CHED N#CC[C@@H]1CCCN(C/C=C\c2ccc(F)cc2F)C1 597176695 JIBPNZCYDGJXPD-LSYFEZSPSA-N 276.330 3.604 30 20 CHED CCCC1(CNC(=O)CC2(C#N)CCCCC2)CCC1 597377472 UILITUNQCQHZEC-UHFFFAOYSA-N 276.424 3.937 30 20 CHED CC(=NNc1ccc(F)cn1)c1cc(C)c(F)c(C)c1 741464336 OJSKAJSULLTVAQ-UHFFFAOYSA-N 275.302 3.813 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCC(C)(C)C 748921942 NMSOTZDEILJELS-UHFFFAOYSA-N 259.349 3.736 30 20 CHED N#Cc1ncccc1SCCC(Cl)(Cl)Cl 848439752 YNYYMVGIVXRJGN-UHFFFAOYSA-N 281.595 3.806 30 20 CHED Cc1cc(SCc2nc(C(C)(C)C)n[nH]2)ccc1C#N 592355532 QLRUQMKPMCUUNV-UHFFFAOYSA-N 286.404 3.575 30 20 CHED CCCCCC[C@H](C)NN=Cc1csc([N+](=O)[O-])c1 743450384 JUZURNGPJTVRHT-NSHDSACASA-N 283.397 3.939 30 20 CHED CSc1ccc(C(C)=NNc2ccccn2)cc1F 741759809 YHFXLEYBPYCMIR-UHFFFAOYSA-N 275.352 3.779 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 921566369 UFOHOIZEUWLPOU-LSDHHAIUSA-N 260.406 3.839 30 20 CHED O=C(/C=C/c1cccs1)c1cnn(-c2ccccc2)c1 746349381 XEHYKPHOXFNMFZ-CMDGGOBGSA-N 280.352 3.830 30 20 CHED CSc1ccc2c(c1)C(=NNc1ccc(C)nn1)CCC2 842528614 VNHWISOKXFWLEP-UHFFFAOYSA-N 298.415 3.659 30 20 CHED N#CCOc1cc(F)ccc1NC1CCC2(CC1)CC2 754144931 RLIMGUSUVXIZLL-UHFFFAOYSA-N 274.339 3.863 30 20 CHED C=CCCOC(=O)c1cc(C2CC2)nc2ccc(OC)cc12 751821395 GIHBSJPTZFLLEP-UHFFFAOYSA-N 297.354 3.854 30 20 CHED C=CCC(=NNc1cc(C)ccn1)c1ccc(F)cc1 755905614 JGDVEXLRLAFZLO-UHFFFAOYSA-N 269.323 3.921 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)O[C@H](C)CC(C)(C)C#N 851209795 KALJFOGWTHAXSU-QWHCGFSZSA-N 291.366 3.876 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C\c1ccc(O)c(F)c1)C2=O 755600091 FPJOLNJTAQCNBS-VGOFMYFVSA-N 293.297 3.615 30 20 CHED Fc1cc(F)c(NN=C[C@@H]2CC2(Cl)Cl)cc1F 853308006 VPUDCOTZQAJBIT-YFKPBYRVSA-N 283.080 3.695 30 20 CHED CCCCCCCNC(=O)NC[C@@H](C)c1nccs1 858112241 JIGPGNAVBCBFJN-GFCCVEGCSA-N 283.441 3.516 30 20 CHED C=C[C@H](OC(=O)CC[C@H]1CC[C@H](C)O1)c1ccccc1 851452962 ZGLSGEJGUPMBNU-IMJJTQAJSA-N 274.360 3.805 30 20 CHED C#CCCNC(=O)N(Cc1cccc(Cl)c1)CC(C)C 856832782 GMLBYJOWBHPGEU-UHFFFAOYSA-N 292.810 3.531 30 20 CHED CCCn1nc(C)c(C=NNc2ccc(F)cc2F)c1C 755464243 NRSQUUWDKGHZIM-UHFFFAOYSA-N 292.333 3.634 30 20 CHED Oc1nc2ccccc2cc1C=NNc1cccc(F)c1 920383944 LGNQPJSWMLQTIS-UHFFFAOYSA-N 281.290 3.526 30 20 CHED Cc1ccc([C@H](C)/N=C/c2cccc(O)c2O)s1 920174740 PAYBKNSUPISIAJ-CYANDVJASA-N 261.346 3.648 30 20 CHED C#CCCN(Cc1cccs1)Cc1ccccc1OC 920417640 KKNKORADDGGCBE-UHFFFAOYSA-N 285.412 3.782 30 20 CHED Cc1cc(C)cc(NN=Cc2nccn2C(C)C)c1 853275567 LATFWVZVNMCLEX-UHFFFAOYSA-N 256.353 3.527 30 20 CHED CCn1nccc1/C=C/C(=O)c1cc2ccc(C)cc2o1 754829900 NMDOXLRZUFXTBE-VOTSOKGWSA-N 280.327 3.854 30 20 CHED C=C(Cl)CN1CCC[C@H]1c1ccc(OC)c(F)c1 852518651 LPKDXUTVVGBDQY-ZDUSSCGKSA-N 269.747 3.724 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1cccc(CC#N)c1 854883592 FDVZBAHTTAGDHR-OAHLLOKOSA-N 262.328 3.610 30 20 CHED C#C[C@H](CC)NC(=O)C1(Sc2ccccc2)CCCC1 754674640 KLMZDXYTEFXHHJ-CQSZACIVSA-N 287.428 3.620 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccc2c(c1)COC2 755600017 DQCDREKGMGUTLH-RJRFIUFISA-N 286.277 3.891 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(OCCC(C)C)cc1 753428732 PQCGMAUUKDDYAY-CQSZACIVSA-N 275.348 3.570 30 20 CHED Clc1ccc(Cl)c(NN=Cc2cc[nH]c2)c1 751895486 LZNCAQXIZVVSAG-UHFFFAOYSA-N 254.120 3.768 30 20 CHED CC(CCC(C)C)=NNc1nc(O)c2ccccc2n1 757585865 QRVYVKGENFVQLG-UHFFFAOYSA-N 272.352 3.559 30 20 CHED Cc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c(O)c1 756855118 CPNREPJGBOUNPO-CQSZACIVSA-N 292.382 3.912 30 20 CHED CCOc1ccc2ccccc2c1C(=O)N[C@H](CC)CC#N 935401018 QYMACDOQFUWOBE-CQSZACIVSA-N 296.370 3.661 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2ccc(C)cc2C)c1 766503844 ZUAKTXOTSSIOHI-VOTSOKGWSA-N 284.311 3.579 30 20 CHED C#CCOc1ccc([C@H](C)NCc2sccc2C)cc1 765334397 MZRGSFYPZHNAGC-AWEZNQCLSA-N 285.412 3.919 30 20 CHED C#CCOc1ccccc1OCc1ccc(C)c(OC)c1 864046609 ISDBPHTVUDASES-UHFFFAOYSA-N 282.339 3.595 30 20 CHED CCc1ccc(C(=O)/C=C\c2sccc2OC)o1 764442600 OZYGAROQCWOGML-ALCCZGGFSA-N 262.330 3.808 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(-c2coc(C)n2)cc1 767052749 FNSPSBKYHKOFSP-UHFFFAOYSA-N 282.343 3.638 30 20 CHED C[C@H]1CCCCC1=NNc1ncnc2ccsc12 764835438 LZESIZUPVSLKNH-VIFPVBQESA-N 260.366 3.669 30 20 CHED CC(=NOCC(F)(F)F)c1ccc2c(c1)CCCC2 764846605 LQAOTRHPVRJBHL-UHFFFAOYSA-N 271.282 3.868 30 20 CHED C[C@@H]1CCC[C@@H](OCC(=O)OCCCCC(C)(C)C#N)C1 768693939 VXCBFCFOEPYDRK-HUUCEWRRSA-N 295.423 3.845 30 20 CHED C[C@@H]1CCN(C(=O)Nc2sccc2C#N)C[C@H](C)C1 931830976 GXZVEDAIZVGJPM-GHMZBOCLSA-N 277.393 3.520 30 20 CHED N#Cc1ccc(C2=CCN(CC(F)(F)C(F)F)CC2)cc1 767737682 DCNDKCNRYIMWHV-UHFFFAOYSA-N 298.283 3.548 30 20 CHED C(=NNCCCc1ccccc1)c1cnc(C2CCC2)s1 760252252 CZCDADNXIFLFGI-UHFFFAOYSA-N 299.443 3.967 30 20 CHED O=[N+]([O-])c1cc(NN=C2CCc3ccccc3C2)ccc1F 769827912 AJGGWSWXNLCEOO-UHFFFAOYSA-N 299.305 3.691 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1C#N 766484186 MGRXOAVXNXGDJN-WEVVVXLNSA-N 272.307 3.634 30 20 CHED CCC(=NNc1ncc(Cl)cn1)c1cc(C)ccc1C 863125327 SVRSGSQHEHYBDE-UHFFFAOYSA-N 288.782 3.973 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(C#N)s1 762439228 RSETVOYWZWNNIG-UHFFFAOYSA-N 259.309 3.595 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)OC2(C#N)CCC2)cc1 762091594 NDENXBWDGGEOCG-JXMROGBWSA-N 283.371 3.987 30 20 CHED Cc1cccc(NC(=O)c2ccc(CC#N)cc2)c1C 58242947 ZMHXSLDMNFLKJH-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CC(CCCC(C)C)=NNc1nc(O)c2ccccc2n1 764696675 QFZUTJDZKPYANG-UHFFFAOYSA-N 286.379 3.950 30 20 CHED C#C[C@H](N[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1F 877517237 MTKPDXPNPAOUGP-WFASDCNBSA-N 295.785 3.701 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2CCc3c(Cl)cccc32)c1 775648082 PYLOMKYAVHKCAL-INIZCTEOSA-N 295.769 3.990 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC1(Cl)Cl 877593926 JSVGEUCJJDRGQR-OCCSQVGLSA-N 295.213 3.719 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccc2c(c1)CCC2 773092887 HBIIAWIEXUHIKM-UHFFFAOYSA-N 294.402 3.925 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C(C)=C(\C)CC 779883670 ZBAAYULTONDFEI-CCEZHUSRSA-N 282.387 3.819 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc(Cl)s1 781126868 GCLUBNUKICMUAH-UHFFFAOYSA-N 269.732 3.772 30 20 CHED C#CCCCCCC(=O)NC[C@H](c1cccnc1)C(C)C 779982863 XUFFGZPUJZEANJ-KRWDZBQOSA-N 286.419 3.521 30 20 CHED O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccncc1 776187958 FEJQXMJEFGEHLW-SREVYHEPSA-N 276.295 3.633 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)/N=C/c1ccccc1O 770568787 NNDUTTUJKHTUKI-CUMICDFRSA-N 287.334 3.726 30 20 CHED C=CC[C@@H](C(=O)OCc1ncc(C)s1)c1ccccc1 778428108 HIQFXPMAMBXUNZ-CQSZACIVSA-N 287.384 3.855 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 779922452 INZFVUUHMGLHEA-HRCADAONSA-N 261.409 3.655 30 20 CHED CC(C)=CCC[C@H](C)CC=NOC1CCOCC1 774457674 LQMCHVPVPBFEQF-AWEZNQCLSA-N 253.386 3.940 30 20 CHED CCO[C@@H]1CCCC(=NNc2ccc(C(C)(C)C)nn2)C1 1119559309 HJXMEQUHXGPQEL-CYBMUJFWSA-N 290.411 3.521 30 20 CHED C=CCC[C@H](CC)NCc1nc2cc(F)ccc2n1C 773003957 YUWPAUUVIIHJLB-ZDUSSCGKSA-N 275.371 3.547 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)c1 776726138 HCMJOJZVUNGBCX-YVMONPNESA-N 265.287 3.902 30 20 CHED c1ccc2c(c1)CCSCC2=NOC1CCCC1 774604693 ZNKOAQRPRXYDGH-UHFFFAOYSA-N 261.390 3.639 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1cccc(F)c1F 776259806 QFOYYEKRZXCGJY-UHFFFAOYSA-N 297.308 3.771 30 20 CHED C=C(Cl)CN[C@@H]1CCCOc2cc3c(cc21)CCC3 773003817 HKCNIFRNUHLZGK-OAHLLOKOSA-N 277.795 3.731 30 20 CHED C[C@H](Cc1ccccc1)n1cccc1C(=O)OC(C)(C)C#N 779224978 IBPOBFGIBPORRG-CQSZACIVSA-N 296.370 3.751 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1ccc(CC#N)cc1 776114758 QHZYWFXWZGAXNK-ZDUSSCGKSA-N 291.416 3.718 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(O)cccc1Cl 880123645 UOKWAUOIBHHWHD-UHFFFAOYSA-N 253.729 3.586 30 20 CHED C[C@H](C(=O)OCC#Cc1ccc(F)cc1)c1cccs1 771362977 QVVHSAPCYBVAME-LBPRGKRZSA-N 288.343 3.586 30 20 CHED CCc1c(C)sc(NC(=O)c2cc(C)co2)c1C#N 888775901 XQLQUNBAALBUCA-UHFFFAOYSA-N 274.345 3.644 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2conc2C)CCCC1(C)C 888731639 JAMILOZFQLRBMA-ZDUSSCGKSA-N 277.368 3.582 30 20 CHED CCCCOCC(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1123009310 KCLZSYOFPFRIFW-DOMZBBRYSA-N 295.404 3.699 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2C[C@H]2c2ccc(F)cc2)c1 788320349 LSEPVFPESNDPDO-NJASAYKTSA-N 285.318 3.515 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc(-c2ccccc2)no1 785758872 DRIKCKNTEMHEHC-QGZVFWFLSA-N 285.343 3.987 30 20 CHED CCCC(=CC(=O)N1CCC(CC#N)CC1)CCC 782054662 FKVKPKAYWOKSIA-UHFFFAOYSA-N 262.397 3.665 30 20 CHED COc1cc(NN=Cc2cccc(F)c2)ccc1Cl 788472261 QRGRXZQBQYZANA-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1O 787034127 RVUUBKWQHQAFKI-GTNSWQLSSA-N 296.345 3.741 30 20 CHED Cc1c([C@H](C)NCc2ccc(C#N)cc2)cnn1C(C)(C)C 786896979 DWLQZRWQTDQOAE-ZDUSSCGKSA-N 296.418 3.669 30 20 CHED CCOc1ccc(NC(=O)c2cc(C#N)ccc2C)cc1F 1125251009 KGYSJFFUYNJNNB-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CO[C@H](C)C1 784072913 YFBLWCVOHGPBTA-HUUCEWRRSA-N 269.429 3.620 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@H](C)[C@H]2C)o1 781123628 YSFPMTFYPTZPJY-WDEREUQCSA-N 274.368 3.894 30 20 CHED C[C@H](C=NNc1cccnn1)c1ccc(C(F)(F)F)cc1 789020233 FRMVKEWTDJSSNL-SNVBAGLBSA-N 294.280 3.697 30 20 CHED C[C@@H](c1cccc(F)c1)c1noc(CCCCCC#N)n1 897066490 ARCFZLXLTFLKJH-LBPRGKRZSA-N 287.338 3.987 30 20 CHED C=C1CC(c2noc(CCSc3ccccc3F)n2)C1 896889844 MFZSHDBWCWEUGZ-UHFFFAOYSA-N 290.363 3.977 30 20 CHED C=CCCCC(=O)Nc1ccc(F)c(C(=O)OC)c1Cl 894355726 BPRXIOVRAXHMEZ-UHFFFAOYSA-N 299.729 3.561 30 20 CHED CC1(C)C(=NOCc2cccnc2)C[C@H]1Oc1ccccc1 789034065 MOEHBXVGRGBCMY-QGZVFWFLSA-N 296.370 3.832 30 20 CHED C=CC[C@H](CC)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 393776008 FUHCGQTYIYTAEL-SZMVWBNQSA-N 272.436 3.594 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1C#N 799345402 AKOKIJRMWQJPGV-ZDUSSCGKSA-N 290.322 3.656 30 20 CHED C[C@@H](C(=O)OCCCC#N)c1ccc(C(F)(F)F)cc1 798785831 XARQZNDEEFAHQO-SNVBAGLBSA-N 285.265 3.656 30 20 CHED Cc1nc2cc(C(=O)Oc3ccc(C#N)c(C)c3)ccc2o1 791746971 AFMIKNXOQVHIAN-UHFFFAOYSA-N 292.294 3.536 30 20 CHED CCc1cc(C#N)ccc1OC/C(Cl)=C\Cl 799588559 UGZQBTBKNUNZEF-IZZDOVSWSA-N 256.132 3.818 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(Cl)c2Cl)o1 796141322 JYMCYAULJINYNE-UHFFFAOYSA-N 296.109 3.815 30 20 CHED C[C@@H](NN=Cc1ccc(Br)s1)C(C)(C)C 793116549 ZGFADMGJPCDYIE-MRVPVSSYSA-N 289.242 3.869 30 20 CHED C=CCC(CC=C)C(=O)OCc1csc(Cl)n1 793229822 SZQYSTFLKDJYHZ-UHFFFAOYSA-N 271.769 3.608 30 20 CHED COc1cccc(/C=C2/Cc3c(OC)cccc3C2=O)c1F 799891623 HRQUDFQYFNWBAN-XFXZXTDPSA-N 298.313 3.665 30 20 CHED C=CC[C@@H](NC(=O)N(CC1CC1)C1CCC1)c1ccncc1 793026425 FRMOTVOWNTUOCV-QGZVFWFLSA-N 299.418 3.673 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1coc(C(C)C)n1 799464542 CRODCGIODMONTQ-UHFFFAOYSA-N 288.307 3.542 30 20 CHED N#Cc1cccc(OCCSc2ccc(Cl)cn2)c1 70213167 WWAMHCLDMXZSPO-UHFFFAOYSA-N 290.775 3.778 30 20 CHED C=CCN(Cc1csc(-c2ccccn2)n1)C(C)C 732408666 XXFHTZBBMLZARM-UHFFFAOYSA-N 273.405 3.602 30 20 CHED C[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1cccs1 1219799419 QWBPSZXPURBAMT-VIFPVBQESA-N 289.335 3.642 30 20 CHED C#CCCCN1CCCC[C@H]1c1nc2ccccc2o1 766920824 GSRYGPLCXABOCL-HNNXBMFYSA-N 268.360 3.768 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NCc1cc(C#N)ccn1 1169368183 VIWDDHBJDCODHB-DOTOQJQBSA-N 271.408 3.648 30 20 CHED CC[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)[C@H]1CC1(C)C 1311103871 LIPRESVRZYMVBU-KGLIPLIRSA-N 289.354 3.644 30 20 CHED C=CCn1cnnc1SC[C@H](CC)CCCC 1317866094 ATFWAFVSQUMNLX-GFCCVEGCSA-N 253.415 3.773 30 20 CHED N#Cc1c(F)cccc1NCCOc1ccc2c(c1)CCC2 1319136175 LYBUFKLFXNPKJK-UHFFFAOYSA-N 296.345 3.677 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)c(F)c1 1320044887 JKMYDEUOQRFTQB-QWRGUYRKSA-N 279.746 3.573 30 20 CHED CC1(C)CC(c2nnc(-c3ccc(C#N)cc3)o2)C1 1325800126 WUBYJTXRUMUVMS-UHFFFAOYSA-N 253.305 3.512 30 20 CHED CCN(CCOc1cccc(C#N)c1)Cc1ccccc1F 1320747894 CIYATXAINJDOHY-UHFFFAOYSA-N 298.361 3.598 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccn1C1CC1 1329170897 BQOBRILFVQPORZ-AWEZNQCLSA-N 279.387 3.888 30 20 CHED N#Cc1cccc(-c2nnc([C@@H](F)Cc3ccccc3)o2)c1 1327306555 VHTXWWGJBVKVRE-HNNXBMFYSA-N 293.301 3.862 30 20 CHED N#Cc1cccc(-c2nnc(-c3cc(F)ccc3F)o2)c1 1324183170 LAUHUKPVAQRBMD-UHFFFAOYSA-N 283.237 3.553 30 20 CHED Cc1cccc(CSc2cc(C)c(C#N)cn2)c1 1186441259 KDKQVPGBTYXZBL-UHFFFAOYSA-N 254.358 3.862 30 20 CHED Cc1cnc([C@H](N[C@@H](C)CC(C)(C)C#N)C2CC2)s1 1336660730 ZPPKZXUKURZXCA-GXFFZTMASA-N 277.437 3.821 30 20 CHED N#C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C1CCCC1 1333698025 MIASAWRFUARGGL-QGZVFWFLSA-N 294.354 3.759 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(OCC)cc1 1339038346 UHCVTYYTLBGUAO-UHFFFAOYSA-N 287.403 3.512 30 20 CHED CS[C@@H]1CCC[C@H](Nc2cccc(OCC#N)c2)C1 1333705124 CJXVZPOBFCBECU-DZGCQCFKSA-N 276.405 3.675 30 20 CHED C=C[C@@H](COC)NC(=O)[C@@H](CCC)c1cccc(Cl)c1 1335169574 JCQWQUWVYYEZCE-GJZGRUSLSA-N 295.810 3.541 30 20 CHED CC#CCCN1CCC[C@H](c2nc3ccccc3s2)C1 1342615876 WYIXTLONCMHAFN-AWEZNQCLSA-N 284.428 3.889 30 20 CHED N#Cc1ccccc1NC(=O)C1CC(c2ccc(F)cc2)C1 1264113903 KIQLADVKJCFQJT-UHFFFAOYSA-N 294.329 3.830 30 20 CHED N#CCc1cccc(N(Cc2c(F)cccc2F)C2CC2)n1 1343547695 MMUYCZWNUMOVOA-UHFFFAOYSA-N 299.324 3.595 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@@H](c1ccccc1)C(C)C 1341059553 CFNVWCPDGNDXJO-GOSISDBHSA-N 283.415 3.688 30 20 CHED Cc1ccc2[nH]c(C(=O)O[C@H](C)CC#N)c(Cl)c2c1 1263290678 ZOWIQCCGXHGEAY-SECBINFHSA-N 276.723 3.589 30 20 CHED C=C(CC(C)C)C(=O)N[C@H]1CCOC2(CCCCC2)C1 1348127924 LBYRNJMLMLQUAV-HNNXBMFYSA-N 279.424 3.587 30 20 CHED N#CC1(CC(=O)OCCc2ccsc2)CCCCC1 1523912723 FTWIYOORJPTQON-UHFFFAOYSA-N 277.389 3.698 30 20 CHED C=C[C@H](CC)CC(=O)O[C@H](c1ccccc1)c1ccnn1C 1525461904 FUUCLZKJFJKRKO-RDTXWAMCSA-N 298.386 3.655 30 20 CHED N#CCCCCSCc1cc(C(=O)O)ccc1Cl 1601065579 KCNCEFXNJSXTJG-UHFFFAOYSA-N 283.780 3.965 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)Cc2ccccc2F)c1 1460865137 LOWPOCRKDUHVDR-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED C=CCCC[C@@H](Nc1ncc(C(=O)O)cn1)c1ccccc1 1602872652 MBAXFNRMIZSDSL-OAHLLOKOSA-N 297.358 3.684 30 20 CHED CCCC[C@H](Sc1cccc(Cl)c1C#N)C(=O)O 1605249938 IMHHDNSFIBKULW-LBPRGKRZSA-N 283.780 3.947 30 20 CHED C=CCN(C(=O)c1cc(Cl)cc(Cl)c1O)C(C)C 931924705 GQPSHMNVMPSDEE-UHFFFAOYSA-N 288.174 3.736 30 20 CHED O=C(O)c1coc(C=NNc2c(Cl)cccc2Cl)c1 1608987808 WTRYFHHQXLYSRM-UHFFFAOYSA-N 299.113 3.731 30 20 CHED CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1CC#N 1540403547 FMKPIZMSWWEASU-UHFFFAOYSA-N 298.773 3.678 30 20 CHED Cc1cc(NC(=O)c2ccsc2C#N)ccc1Cl 1611323327 WBCMBVJVYZDIAW-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CSc1cc(C)ccc1NCc1cccc(C#N)n1 1621396120 XPJACXDPOSJMDN-UHFFFAOYSA-N 269.373 3.596 30 20 CHED CCc1csc(N(C)[C@@H](C)c2cccc(C#N)c2)n1 1559218872 URLRFIUGXCRRLK-NSHDSACASA-N 271.389 3.775 30 20 CHED Cc1cc(C)cc(CCNc2nc(C#N)c(Cl)s2)c1 1639508770 CRMAVKBVNBZCBE-UHFFFAOYSA-N 291.807 3.940 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H]2CCCC[C@H]2C)c1C#N 1642044746 HKRHGRSIKDNAQR-QMTHXVAHSA-N 277.799 3.930 30 20 CHED N#Cc1cnccc1Sc1ccc2c(c1)CCCC2 1642820072 NVFKYBDFQXCHGJ-UHFFFAOYSA-N 266.369 3.983 30 20 CHED CO[C@H](COc1nc(C(C)(C)C)ccc1C#N)CC(C)C 1644025623 MXQSEBYSASZKBK-AWEZNQCLSA-N 290.407 3.691 30 20 CHED CCCCN1CCCC[C@H]1CNCc1ccc(C#N)c(C)c1 1649175729 PMDIWTJUORXSMD-IBGZPJMESA-N 299.462 3.611 30 20 CHED C[C@@H](CC1CCCCC1)CN1CC[C@](F)(C#N)C1 1659459291 WFTVIWVWUHBSEG-ZFWWWQNUSA-N 252.377 3.530 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1ncc(C#N)cc1Cl 1651969709 KHQOEKKQYOYYJH-NSHDSACASA-N 296.761 3.676 30 20 CHED N#CC1(C(=O)Nc2cccc(C(F)(F)F)c2)CCCC1 7334557 IXHRNRPEYYZDPR-UHFFFAOYSA-N 282.265 3.728 30 20 CHED CCN(CC)c1ccc(/C=N/[C@H](C)c2ccccn2)c(O)c1 5228213 NNCCOUOSYHUUPW-GNUZOCDUSA-N 297.402 3.814 30 20 CHED CC(C)[C@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776075452 IROGTNRKGZFWAN-JTQLQIEISA-N 278.327 3.748 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1csc(C)n1 1776784411 IOQSTGXCJMVEII-CYBMUJFWSA-N 298.452 3.745 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2ccc(F)cc2F)s1 1776125331 DVNOYGJUZREXDW-GORDUTHDSA-N 294.278 3.621 30 20 CHED C[C@H]1CC[C@H](C)C(=NNc2ccc(C(=O)O)c(F)c2)C1 1776075617 UACBUTNWBWBTRS-UWVGGRQHSA-N 278.327 3.748 30 20 CHED O=C(O)c1cc2cc(C=NNc3ccc(F)cc3)ccc2o1 1776032443 LIEHXNMMJJMDOT-UHFFFAOYSA-N 298.273 3.716 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 247633019 BWHFPVWYJGKMEY-KWBADKCTSA-N 274.751 3.586 30 20 CHED C[C@H]1/C(=C/c2cccc(C#N)c2)C(=O)c2c(O)ccc(F)c21 14180143 VTCIBRVEQRSGOP-AAIQCTMTSA-N 293.297 3.786 30 20 CHED N#Cc1cccc(SCc2nc(-c3ccccc3)no2)c1 158720330 FLFYXPXVAZRMTG-UHFFFAOYSA-N 293.351 3.901 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)[C@@H](C)c1ccccc1 151141194 KNBHSSVCGGSEIS-KGLIPLIRSA-N 282.362 3.979 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)[C@H](C)c2ccccc2)CC1 152959871 ISPUMBBCHNJYAM-IRXDYDNUSA-N 286.463 3.809 30 20 CHED C=C(C)CNC(=O)c1ccc(-c2ccc(C)o2)s1 153045231 UWCQHHMHBLLVJO-UHFFFAOYSA-N 261.346 3.622 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](CC)c1ccc(F)cc1 157664130 DQOLZHWSUALXPK-HNNXBMFYSA-N 263.356 3.744 30 20 CHED C=CCCCCCN(C)C(=O)Nc1nnc(CCC)s1 157808388 FDLUHKNBCZXNLZ-UHFFFAOYSA-N 296.440 3.701 30 20 CHED COc1cc(CNCC(C(C)C)C(C)C)ccc1C#N 234832180 SVHCYMNFTFMDAR-UHFFFAOYSA-N 274.408 3.585 30 20 CHED CC#CCCNCc1ccc(-c2ccc(F)cc2)o1 158302913 QBWQCWZCUQSTOD-UHFFFAOYSA-N 257.308 3.589 30 20 CHED CCC1CCC(N(C)C(=O)c2ccc(C#N)cc2)CC1 42355263 KOXGNRKRZGTBPZ-UHFFFAOYSA-N 270.376 3.599 30 20 CHED C=C[C@H](C)N[C@H](C)Cc1ccc(F)cc1Br 309569023 NBKCOLCLSIRONI-VHSXEESVSA-N 286.188 3.683 30 20 CHED C=CCC1(NC(=O)c2cccc(C)c2F)CCCC1 619108558 XXASTHYCNVIWMH-UHFFFAOYSA-N 261.340 3.753 30 20 CHED C[C@H](CCOCc1ccccc1)NCc1ccc(C#N)cc1 342251866 QXFHKTZCZFTUIC-MRXNPFEDSA-N 294.398 3.643 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccccc1Br 488821768 KCZPMAMKPBBTHX-LLVKDONJSA-N 294.192 3.630 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(F)cc1 594712517 PPAYOIQZENYPNY-LBPRGKRZSA-N 253.386 3.786 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)c1n[nH]c(C)n1 392417081 KXCCDUQBSSZBMT-NEPJUHHUSA-N 252.406 3.513 30 20 CHED CC(C)C[C@H]1CCCN1Cc1cccc(C#N)c1F 396894723 YQPQKZOAQZXEJX-OAHLLOKOSA-N 260.356 3.708 30 20 CHED C#CCN(CCC(=O)c1ccc(F)cc1)Cc1ccccc1 796640282 PPOCPIUZQUKQBN-UHFFFAOYSA-N 295.357 3.534 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC1(Cl)Cl 791865275 LXEFQEKMRILMSY-ZDUSSCGKSA-N 298.213 3.785 30 20 CHED C=CCn1c(SCc2cccc(F)c2)nnc1C1CC1 4345237 KDVNHSRUZJYYLI-UHFFFAOYSA-N 289.379 3.773 30 20 CHED CC(C)c1cc(C(=O)O[C@H](C)C#N)c(O)c(C(C)C)c1 7204903 OGIGDFIFTROLJZ-LLVKDONJSA-N 275.348 3.708 30 20 CHED N#Cc1ccc(NCC[C@@H]2CCCCO2)c(Cl)c1 223658598 KCRVHJQPLPFNBX-LBPRGKRZSA-N 264.756 3.583 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(Cl)c(Cl)c1 58575374 NNKKWCAPRKIUCB-SECBINFHSA-N 257.164 3.727 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(F)c(F)c1 111250951 XVNJRKHEJIRCJG-UHFFFAOYSA-N 266.335 3.727 30 20 CHED C[C@H](Sc1ccccc1C#N)c1nc(C2CC2)no1 172680096 HCHTZDSTPVOOQZ-VIFPVBQESA-N 271.345 3.672 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](CC)c1ccc(OC)cc1 109195064 DXNBUXIITZZSHA-CJNGLKHVSA-N 292.375 3.671 30 20 CHED C=CC1CCN(Cc2cc(Br)ccc2F)CC1 600681475 NQOXPZDICDYFRA-UHFFFAOYSA-N 298.199 3.986 30 20 CHED COCc1ccccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 175778373 IAKUDWPGEHWALL-CYBMUJFWSA-N 295.338 3.623 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(SC(F)F)cc1 116854119 BVUBEOIHRDUNTJ-SECBINFHSA-N 271.332 3.696 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(Cl)cc1 106421843 DUQUMVQVTATCLI-UHFFFAOYSA-N 278.783 3.932 30 20 CHED N#Cc1cc(CN2CC[C@H]2c2ccccc2)ccc1F 344365831 MLCKYLJIKYURNA-KRWDZBQOSA-N 266.319 3.644 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C(=O)C(C)C)c1 102858031 RLYJHDUKDOIUEE-UHFFFAOYSA-N 283.396 3.919 30 20 CHED C=CC[C@H](C)NC(=O)Cc1coc2c(C)c(C)ccc12 116860262 KREPWJUBTISIQK-LBPRGKRZSA-N 271.360 3.673 30 20 CHED C=CC1CCN(C(=O)c2cc(C)n(C(C)C)c2C)CC1 110969267 DFVUGKWSKNUHIM-UHFFFAOYSA-N 274.408 3.724 30 20 CHED C=CCCCCNCc1cnc(C(C)(C)C)s1 310333496 ARLCDDSLVGCOHK-UHFFFAOYSA-N 252.427 3.887 30 20 CHED Cc1cccc(C(=O)/C=C/c2cnc3ccccn23)c1 119119020 PRZGAQDRXPCEET-CMDGGOBGSA-N 262.312 3.539 30 20 CHED Cc1cccc([C@H](C)[S@@](=O)Cc2ccc(C#N)cc2)c1 178114267 RDRDCHBGLVEXGL-XOBRGWDASA-N 283.396 3.877 30 20 CHED N#Cc1nccnc1Oc1cccc(Oc2ccccc2)c1 301188152 QJIPNDWCQXPDIM-UHFFFAOYSA-N 289.294 3.933 30 20 CHED C=C[C@H](C)NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 119782102 IHVHQINQLWZQJA-PMPSAXMXSA-N 281.440 3.833 30 20 CHED COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1O 32180280 SONCVBLIPRQHFM-FNORWQNLSA-N 298.338 3.614 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 116958837 XUVWBOGBGLXMPO-NUEKZKHPSA-N 272.392 3.587 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccc(Cl)cc1F 176782526 CLCKFOXWBHFIKA-UHFFFAOYSA-N 295.745 3.637 30 20 CHED CC(C)N(Cc1ccccc1C(C)(C)C#N)C1CC1 178513618 SOTNUDVEAAXUTG-UHFFFAOYSA-N 256.393 3.861 30 20 CHED C=CCn1c(SCc2ccno2)nc2ccccc21 60766056 CTVIMIHAYVJRJH-UHFFFAOYSA-N 271.345 3.503 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2ccccc2N(C)C)cc1 127204259 PWFRHLZEFVTNND-CQSZACIVSA-N 295.386 3.656 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ccc(C#N)cc1 301289631 OGRWRWHKXJNDEZ-GDBMZVCRSA-N 272.392 3.811 30 20 CHED C#CCCCCC(=O)N(CCc1cccc(F)c1)C1CC1 120149697 IPRNTBKZQYTZRG-UHFFFAOYSA-N 287.378 3.553 30 20 CHED Cc1nc(CSc2ccc(C#N)c(C(F)(F)F)c2)no1 180387341 XTHDSPLBMRCBIG-UHFFFAOYSA-N 299.277 3.561 30 20 CHED N#CCOc1ccc(CNc2cc(Cl)ccc2C#N)cc1 37277775 UGRNIRHAVJFGRO-UHFFFAOYSA-N 297.745 3.726 30 20 CHED N#Cc1ccc(NC[C@H]2CCC[C@@H](O)C2)c(C(F)(F)F)c1 78304262 NDVDEPVGRGQCDF-NWDGAFQWSA-N 298.308 3.540 30 20 CHED C#CCCCCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 120253618 DGWQOQJMTWJVSP-UGSOOPFHSA-N 287.378 3.759 30 20 CHED C=C(C)CN(C)C(=O)c1occc1-c1ccc(F)cc1 183042922 RWJDCARJVHIADR-UHFFFAOYSA-N 273.307 3.734 30 20 CHED CC(C)CN(CCc1cncs1)Cc1ccc(C#N)cc1 411209697 SRRADHCDWVEMHH-UHFFFAOYSA-N 299.443 3.715 30 20 CHED COc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1 212812732 FLKDHYYPJCFDAT-GDNBJRDFSA-N 264.324 3.826 30 20 CHED CC(=O)c1cc(F)ccc1OCc1ccc(F)cc1C#N 77564451 BWKFWYSAHQGBME-UHFFFAOYSA-N 287.265 3.618 30 20 CHED Cc1cc(NC(=O)C[C@H]2CCC[C@@H]2C)c(C#N)cc1N(C)C 415687736 FVDVEYLLPKFSTD-GXTWGEPZSA-N 299.418 3.698 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccccc1)C1CCC1 181001602 WRSLSPDIFRHOTE-MRXNPFEDSA-N 272.392 3.745 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)CCc1ccccc1F 79866995 FPXWIHDNSDUKJU-AWEZNQCLSA-N 290.382 3.545 30 20 CHED C=CCC1(C(=O)Nc2ccc(Br)cn2)CCC1 189199167 XWRIMNGDWHUNKY-UHFFFAOYSA-N 295.180 3.529 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2CCC[C@@H](O)C2)c1 125409879 PHHANRUTWLCZMQ-VXGBXAGGSA-N 298.308 3.540 30 20 CHED Cc1ccc(C(=O)OCCCC#N)cc1Oc1ccncc1 180127897 PPDWSQORRCOWGV-UHFFFAOYSA-N 296.326 3.643 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412285374 GPICXOKJMFEVCB-NUJGCVRESA-N 269.388 3.747 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCOC2(CCCCC2)C1 128491672 FZWCOXUZCGFIGM-VUODPORTSA-N 273.376 3.693 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(Oc2ccccn2)cc1 185139702 VJOIDAKCGYJZIR-UHFFFAOYSA-N 295.338 3.829 30 20 CHED C#C[C@@H](C)NC(=O)c1ccc(CSc2ccccc2)cc1 185290140 VLMYATPJVVELRZ-CQSZACIVSA-N 295.407 3.730 30 20 CHED CCCN(CC#N)CCOc1cccc(C(C)(C)C)c1 504096299 SJOXDIQUJSJFLP-UHFFFAOYSA-N 274.408 3.598 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1ccncc1C 121167985 CAARXGVNQQYXKO-UHFFFAOYSA-N 287.388 3.672 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)c1cccc(F)c1F 186323682 RNOXXCREECMFCC-GFCCVEGCSA-N 286.325 3.996 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccccc1 123729556 TZLCAMMNIARNSU-LSDHHAIUSA-N 271.404 3.993 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N1CCCc2cc(C#N)ccc21 411004689 WYGZKTPLWFAIED-OAHLLOKOSA-N 282.387 3.664 30 20 CHED C=C(C)[C@@H](NC(=O)COCCCC)c1ccc(F)c(F)c1 186050639 YHKIASDMVHZCRC-MRXNPFEDSA-N 297.345 3.515 30 20 CHED CC(C)n1ccc(=O)nc1S[C@H](C)c1cccc(C#N)c1 189846224 MMXNTFMNERHZLY-GFCCVEGCSA-N 299.399 3.549 30 20 CHED Cc1ncccc1OCc1ccccc1C(C)(C)C#N 181716544 JLWWJVDBJIRZDC-UHFFFAOYSA-N 266.344 3.770 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C1(C#N)CCCC1 188886732 AOFHLZBTFLDNDC-KRWDZBQOSA-N 298.430 3.859 30 20 CHED C[C@H](NCc1cc(F)cc(F)c1)c1ccc(C#N)cc1 173895932 ZEJFNVSUXFZCFY-NSHDSACASA-N 272.298 3.687 30 20 CHED C=C(C)CN(C)C(=O)COc1ccccc1[C@@H](C)CC 180419470 UDYMARWCMSZNCH-AWEZNQCLSA-N 275.392 3.613 30 20 CHED Cc1cc2cc(C(=O)O[C@H]3CC[C@H](C#N)C3)oc2cc1C 187621711 FGXXFQQQLXUXER-JSGCOSHPSA-N 283.327 3.899 30 20 CHED COc1ccc(C#N)cc1CN[C@@H](C)c1cccc(C)c1 130368560 TWCYCTWLZPJECY-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C=CCN(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)C1CC1 412229308 MGXYZUOFEAAVBK-OAHLLOKOSA-N 285.387 3.508 30 20 CHED CC1(CC(O)=Nc2nc3cccnc3[nH]2)CCCCC1 328756419 UESCBYXMFPPBRA-UHFFFAOYSA-N 272.352 3.906 30 20 CHED OC(C[C@H]1CCOC1)=Nc1nc2cc(F)c(F)cc2s1 329854002 SJLOYQPIZZVAKS-SSDOTTSWSA-N 298.314 3.589 30 20 CHED C=CCCN1CCC(F)(c2cccc(OC)c2)CC1 500136267 GCGSSIKXSXVKRF-UHFFFAOYSA-N 263.356 3.532 30 20 CHED CCn1c(-c2ccc(F)c(F)c2)nc2cc(C#N)ccc21 86635789 OLUQEXKRHQAMGR-UHFFFAOYSA-N 283.281 3.873 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(F)ccc(F)c1F 131472933 HHWIPSVLESBRIK-VIFPVBQESA-N 271.282 3.579 30 20 CHED C=CCCC1(c2nc([C@@H](C)c3nccs3)no2)CC1 424354703 NPKQCBCJVAZYFQ-SNVBAGLBSA-N 275.377 3.676 30 20 CHED C=C(Cl)CN[C@H]1CCc2ccc(Br)cc21 379933828 WRRPPUCDUOUGSW-LBPRGKRZSA-N 286.600 3.779 30 20 CHED CC(C)(NCc1ccc(CC#N)cc1)c1ccccc1F 429273819 RCEJVKAJJQABRU-UHFFFAOYSA-N 282.362 3.917 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)NCc1ccc(C#N)s1 420915085 KXVGJXPUSTXBIM-NSHDSACASA-N 293.436 3.634 30 20 CHED C=CCCCCCS[C@H](C)C(=O)NC(C)(C)C 192549039 LGHCPGRFAXOJCW-GFCCVEGCSA-N 257.443 3.769 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2[C@H]3CCC[C@H]2CC3)n1 613427166 SCPKBZVZXMUYBU-KBPBESRZSA-N 269.392 3.772 30 20 CHED CC1(CNC(=O)[C@@H](C#N)CCc2ccccc2)CCCCC1 426284017 SKYBOJVXDMMCDF-QGZVFWFLSA-N 298.430 3.846 30 20 CHED N#Cc1ccc(COc2ccc3ncccc3c2)c(F)c1 195193820 WIIVNDMKJBQLMQ-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/CC[C@H]2C[C@H]3CC[C@H]2C3)C1 328782199 VCFJXKLGBFKMDU-PEDHHIEDSA-N 278.396 3.524 30 20 CHED CC(C)(CCC(=O)N1CCC(C#N)CC1)c1ccccc1 41316639 QEIDAMACUXLCFI-UHFFFAOYSA-N 284.403 3.507 30 20 CHED CC1CC(/N=C(/O)[C@H]2CCC[C@H]2/C(O)=N\C2CC(C)C2)C1 328960321 QFZYAJDMLOFEOD-ADPPZMDZSA-N 292.423 3.913 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)N1C2CCC1CC2 517629537 AFUYKETXTDFIOM-UHFFFAOYSA-N 299.374 3.504 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)cc2CC)CCC1 191025106 GDXPWEMEDQBDMV-UHFFFAOYSA-N 259.349 3.640 30 20 CHED C=C(CNC(=O)N(C)Cc1cccc(C)c1)c1ccccc1 512671633 GIZJRXFDHNRHIC-UHFFFAOYSA-N 294.398 3.850 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2ccccc2CC#N)C1 330830812 IVTZURCGUJBZQC-CHWSQXEVSA-N 256.349 3.517 30 20 CHED C=CCN(CCC#N)CC1CCC(C(F)(F)F)CC1 428869753 DXKDITBWQHPEJV-UHFFFAOYSA-N 274.330 3.757 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cncc(F)c1 335906358 XEMDUHZFSNBRJW-SGTLLEGYSA-N 295.361 3.821 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@H](C)CC 191678983 FFEGURAPMXXJGT-GFCCVEGCSA-N 251.395 3.699 30 20 CHED CC(C)Oc1ccc(/C(O)=N/[C@]2(C)CC=CCC2)cn1 331310786 BUUFPVMBWBEHSO-MRXNPFEDSA-N 274.364 3.672 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(C)(C)c1ccccc1 424584143 OSQMUJNHZPGZJU-UHFFFAOYSA-N 259.393 3.683 30 20 CHED N#Cc1cc(F)c(N2CCc3c(F)cccc3C2)c(F)c1 339784215 BZTOGEARJKAVEC-UHFFFAOYSA-N 288.272 3.538 30 20 CHED 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CO[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C12CCC2 453171568 MJSMOLNEDKLHRE-BRWVUGGUSA-N 284.403 3.579 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 456034805 MJJIXLDTIIPBTR-INIZCTEOSA-N 284.403 3.598 30 20 CHED CCc1c(C(=O)N(C)CC(C)(C)C#N)oc2ccccc12 452137780 AQJFXQOUJVNOBC-UHFFFAOYSA-N 284.359 3.617 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 620857112 NYVZTCSZMPWVQR-LSDHHAIUSA-N 275.367 3.790 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCc4ccccc43)CC2)c1 272311761 TXNWONPEPKFKAL-SFHVURJKSA-N 274.367 3.824 30 20 CHED C=CCCC(C)(C)NC(=O)CCC(=O)c1cccs1 620864343 ARMHAAZWKUMUFR-UHFFFAOYSA-N 279.405 3.572 30 20 CHED Cc1c(C#N)cccc1NCc1cnc(C2CC2)s1 542782858 CVULRWLLNLYAQB-UHFFFAOYSA-N 269.373 3.813 30 20 CHED C=CCCCC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 377944997 LLGNGWHYIUQESX-UHFFFAOYSA-N 283.375 3.988 30 20 CHED C=CCCO[C@H](C)c1nc([C@@H]2CCCCS2)no1 273844436 BETILTBQEPEBFM-MNOVXSKESA-N 268.382 3.682 30 20 CHED CC[C@@H](NCCc1nc(C)c(C)s1)c1ccc(C#N)cc1 278683514 JZYUPWNASQBXOF-MRXNPFEDSA-N 299.443 3.915 30 20 CHED C=C(CC)CS[C@H](C)C(=O)N(C)Cc1cccc(F)c1 540193389 STUZULXHGZWYQN-CYBMUJFWSA-N 295.423 3.872 30 20 CHED C=CCCN(C)C(=O)Nc1cc(-c2ccccc2)ns1 466594111 XHPVAXCGNDWJRM-UHFFFAOYSA-N 287.388 3.850 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C)C(C)(C)C1 546846899 WUYMMRNJVYFJLS-ZIAGYGMSSA-N 266.429 3.809 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 464312019 PGHBOTVGABEZSU-LSDHHAIUSA-N 292.810 3.744 30 20 CHED C=CCCN(C)C(=O)CCC(C)(C)c1ccccc1 466633680 HJGKFCOEBYQAIO-UHFFFAOYSA-N 259.393 3.779 30 20 CHED CC(C)CC1(CNC(=O)[C@H](C)c2cccc(C#N)c2)CC1 462183924 AJLREEZHROBWKR-CQSZACIVSA-N 284.403 3.604 30 20 CHED CC1(Cc2noc(CCc3ccc(C#N)cc3)n2)CCCC1 554845837 RDTXJXIOODXUQP-UHFFFAOYSA-N 295.386 3.849 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2cc(F)ccc2n1CC 467921700 DLRAMOIYALBUFM-INIZCTEOSA-N 289.354 3.736 30 20 CHED C=CCC[C@H](C(=O)NCC(C)(C)COC)c1ccccc1 557717655 BVBCYWSDNCLMEL-INIZCTEOSA-N 289.419 3.525 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCO[C@]2(CCOC2)C1 373368927 IGXYFBCJBWLMLT-GVDBMIGSSA-N 283.456 3.663 30 20 CHED C=C[C@H](C)NC(=O)N1CCCC2(CCCCCC2)C1 464751549 MEJQCGLAOQJWRT-AWEZNQCLSA-N 264.413 3.707 30 20 CHED C=CCCCCCN(C)C(=O)c1cn(CC)nc1C1CC1 631436720 NITDIHRRXPTRIN-UHFFFAOYSA-N 289.423 3.599 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(C3CCC3)c2)cc1O 462725890 OSCCVMZIZJTWDB-UHFFFAOYSA-N 292.338 3.784 30 20 CHED CCCc1ccc([C@H](NC(=O)[C@@H](C)C#N)C(C)C)cc1 468174815 URJFTEIATYPSFH-XJKSGUPXSA-N 272.392 3.612 30 20 CHED Cc1nc(N2Cc3ccccc3C[C@H]2C)c(Cl)cc1C#N 461935951 LTDFDXLEUBEXQC-LLVKDONJSA-N 297.789 3.866 30 20 CHED C=CCOc1ccc(OCc2ccc(C#N)cc2F)cc1 462678244 LMXQEVNJCIVZBL-UHFFFAOYSA-N 283.302 3.841 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC=C(C(C)(C)C)CC1 466378401 LZVGXGRMODAAGG-CQSZACIVSA-N 264.413 3.729 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 280602639 QUBURRSNOCYKED-LBPRGKRZSA-N 276.405 3.518 30 20 CHED C=C[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 465118536 FKEARXNPIVIGBH-AWEZNQCLSA-N 265.356 3.509 30 20 CHED N#Cc1ccc(Cl)c(C(=O)NCC2(C3CC3)CCC2)c1 285879104 WOZDYJCUJPBPTM-UHFFFAOYSA-N 288.778 3.522 30 20 CHED C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCCOC1 388959738 WCJLMJXDNMARLX-ZYHUDNBSSA-N 298.308 3.804 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1csc(C(C)=O)c1 297914735 ZQDZVLIYRXCSGR-UHFFFAOYSA-N 292.404 3.543 30 20 CHED Cc1ccc(OC[C@@H](C#N)CCC#N)cc1Br 295955081 PDSZTSBWBPGQQL-LLVKDONJSA-N 293.164 3.580 30 20 CHED CCSc1ccc(C(C)=NN[C@H]2CCSC2)cc1 807999056 WZGZTMDDJUZDQK-ZDUSSCGKSA-N 280.462 3.618 30 20 CHED N#CCCCCCC(=O)[C@H](C#N)c1ccc2ccccc2n1 805844559 LJZDMMVSYXDWFK-OAHLLOKOSA-N 291.354 3.885 30 20 CHED C=CC[C@H]1N(C(=O)C[C@@H](OCC)C(=C)C)CCCC1(C)C 470302022 JWACOPRBZYBGNT-HZPDHXFCSA-N 293.451 3.951 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N[C@]1(C#N)CC1(C)C 567614807 FIUHNINIZQQDHN-CJNGLKHVSA-N 262.397 3.567 30 20 CHED Cc1ccc(C(C)C)c2c1C(=O)/C(=C\c1cn(C)cn1)CO2 800794424 GNULTPMDJSMQQH-QPEQYQDCSA-N 296.370 3.511 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1cn(C)c(C)n1 800805617 VUXADWPOMMUCSM-UHFFFAOYSA-N 296.296 3.583 30 20 CHED CCc1ccccc1CCOC(=O)CCCCCC#N 805695962 PSHXLZUOAMORFL-UHFFFAOYSA-N 273.376 3.809 30 20 CHED COc1cc(Cl)ccc1COC(=O)CCCCCC#N 805696824 KPTUEKSXNHTTTR-UHFFFAOYSA-N 295.766 3.866 30 20 CHED C#Cc1ccc(CN[C@@H]2CCC[C@H](SCC)C2)cc1 809625806 RXHFMYQIDIPFKJ-SJORKVTESA-N 273.445 3.822 30 20 CHED COc1ccc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)cc1 806565024 IPEXYSSLAAXBQM-YHYXMXQVSA-N 296.370 3.679 30 20 CHED C[C@@H]1/C(=C\c2cccc(OCC#N)c2)C(=O)c2ccccc21 809155673 CVFAXHZKSIBOAR-HTMJNSLASA-N 289.334 3.972 30 20 CHED CC#CCN(C)C(=O)c1occc1CSc1ccccc1 647541707 AJCFMNVNQDGBEP-UHFFFAOYSA-N 299.395 3.667 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@H](Nc2ccccc2)C1 293570985 BOKWOBUVYNEDPD-INIZCTEOSA-N 286.419 3.692 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)nc1C 647380206 UNQUOZQVDYQTGL-GFCCVEGCSA-N 297.383 3.522 30 20 CHED C#CCN(C)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 801608753 ZAWLMQRATMGUET-UHFFFAOYSA-N 294.354 3.884 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 292866925 VWHZNWISWKZPBJ-QGZVFWFLSA-N 277.371 3.536 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCC2)cc1Cl 565535073 SIETUKITSBNJJB-GXTWGEPZSA-N 289.766 3.522 30 20 CHED Clc1ncccc1C=NNc1cccc2cnccc12 814836178 KOIBHCIQFZEBBM-UHFFFAOYSA-N 282.734 3.729 30 20 CHED Fc1cccc(NN=C2COc3c(Cl)cccc32)c1 814815345 UYASDHGUJWCYQU-UHFFFAOYSA-N 276.698 3.688 30 20 CHED CC(C)(CNc1cc(C#N)ccn1)c1ccc(Cl)cc1 561127000 MCUMJLVFHLBGDZ-UHFFFAOYSA-N 285.778 3.996 30 20 CHED N#Cc1nnc2ccccc2c1Oc1ccc2cccnc2c1 480559163 TYOIGZMREXNRKD-UHFFFAOYSA-N 298.305 3.842 30 20 CHED CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(C#N)o1 814115833 MSCHAPGVUTZYGM-CYBMUJFWSA-N 274.364 3.582 30 20 CHED CC(C)=CCCC(C)=NNc1nc(-c2cccnc2)no1 814948215 DKMCTAFVTLZFIX-UHFFFAOYSA-N 285.351 3.666 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 816347122 OHWYTUVYUMMQFM-LSDHHAIUSA-N 293.357 3.725 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(SC(F)F)nc1 819404494 GYEKNVRITOUBGF-UHFFFAOYSA-N 286.347 3.937 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)c2ccccc21 575625567 QSHQLRQFPPZVOS-NSHDSACASA-N 295.317 3.853 30 20 CHED CC(=NOC/C=C/Cl)C1CCC(F)(F)CC1 811672464 ZNFXJEKNIXOQOG-ODYSYGFCSA-N 251.704 3.957 30 20 CHED CC[C@@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1OC(F)F 481373957 OKGCXQQNPNSFEO-BXUZGUMPSA-N 294.345 3.780 30 20 CHED C[C@@H](OC(=O)[C@H]1CCCCCC(=O)C1)c1cccc(C#N)c1 811383807 MJWCHLYHNNLMCL-CJNGLKHVSA-N 299.370 3.702 30 20 CHED C=CCn1cccc1C(=O)N[C@H]1CCCc2cc(F)ccc21 488797419 AKHLDLRMGQIBFO-INIZCTEOSA-N 298.361 3.621 30 20 CHED N#Cc1cc(CN(CC2CCC2)CC2CC2)ccc1F 483293274 UQCXZEBTURAAEH-UHFFFAOYSA-N 272.367 3.709 30 20 CHED COc1ccccc1CON=C(C)Cc1ccc(F)cc1 814923917 RAIGUCDDOPJTIZ-UHFFFAOYSA-N 287.334 3.970 30 20 CHED Cc1cccc2c1CCC2=NNc1cccc(F)c1 729142057 LPQFHIKKEAVWSO-UHFFFAOYSA-N 254.308 3.897 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@H](CC)c1ccccc1 494198294 MFSSZVCESCUGKY-DOTOQJQBSA-N 286.419 3.930 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CCCOC1 727708476 RZFFAWMLUXJZGB-HNNXBMFYSA-N 269.429 3.622 30 20 CHED C=CCCC(=O)OCCCOc1cc(C)ccc1C 726655729 TZQYGWCJHKMIOQ-UHFFFAOYSA-N 262.349 3.582 30 20 CHED C=CCCOC(=O)C1(c2cccc(F)c2)CCCC1 729072665 UCPJAJKWEUMCFZ-UHFFFAOYSA-N 262.324 3.757 30 20 CHED CC(C)Cc1ccc(C(=O)N(C)CC(C)(C)C#N)s1 820519727 BCXGGTLZTMQHRI-UHFFFAOYSA-N 278.421 3.568 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@@H](C)O1 824722506 URVTVQGSEPQINR-LALPHHSUSA-N 288.391 3.713 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1c(F)cccc1F 902792993 JPLCZSZHDBVHLH-SNVBAGLBSA-N 253.292 3.530 30 20 CHED COc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)on1 821021625 JSGWNSNANYFJGS-QPJJXVBHSA-N 297.232 3.598 30 20 CHED CC(C)COc1ccccc1NCc1cc(C#N)ccn1 901373920 RKSIIRCBVUANAT-UHFFFAOYSA-N 281.359 3.600 30 20 CHED C/C(=C/C(=O)OC(C)(C)C#N)c1ccccc1Cl 588402079 VBGWMWRDRHTOCM-NTMALXAHSA-N 263.724 3.589 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1ccc(F)c(F)c1 901317636 LXMCPUKHCFAARD-UHFFFAOYSA-N 292.333 3.805 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC1=CCCC1 661965516 SYWYPJLSVQHYQU-UHFFFAOYSA-N 276.405 3.556 30 20 CHED CC[C@@H](NCCc1cnc(C)s1)c1cccc(C#N)c1 902881608 KSXHDKHIBCLAGX-MRXNPFEDSA-N 285.416 3.607 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1ccc(N(C)C)cc1 834891467 ILMBKLVXJWPARV-KSZLIROESA-N 288.435 3.527 30 20 CHED Cc1ccc(F)c(C=NNCc2ccc(F)c(F)c2)c1 734979197 DFADFYBJIADTOR-UHFFFAOYSA-N 278.277 3.536 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2ccc(F)cc2Cl)C1 839449264 MSDONTPJGXJOHW-GXFFZTMASA-N 295.741 3.647 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(C3CCC3)cc2)CC1 831741163 JTFOPPAZVQFUFI-UHFFFAOYSA-N 282.387 3.831 30 20 CHED C=CCON=C1CC[C@H](c2ccccc2)C[C@H]1OC 835015060 OUYYNXXJMJCPOL-GOEBONIOSA-N 259.349 3.528 30 20 CHED CCCN(C(=O)Nc1cc(C)cc(C#N)c1)C(C)C 584538436 PZIRARFHHHWSHO-UHFFFAOYSA-N 259.353 3.519 30 20 CHED C=C(C)CCc1noc(C[C@H]2CCc3ccccc32)n1 671670953 UPQBPKAXBRXMFW-CQSZACIVSA-N 268.360 3.851 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCC1(C)C 672591435 OGQRNDCHXHYFRE-INIZCTEOSA-N 286.419 3.615 30 20 CHED Cc1cccc(CN(C)C(=O)c2ccsc2C#N)c1C 908336747 MGGXKIHCMBRJFS-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C=CC[C@H](C)NC(=O)/C=C\c1ccc2cc(OC)ccc2c1 735068012 RDTZHAXRHGWACR-JOHMGYAOSA-N 295.382 3.942 30 20 CHED C=C(CNC(=O)c1cccc2c1ccn2C)c1ccccc1 673343320 KLRZPURUFBBIEM-UHFFFAOYSA-N 290.366 3.622 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cnn(C(C)C)c2)c1 732714424 RRVZBHRSZJZIIF-HJWRWDBZSA-N 284.359 3.759 30 20 CHED Cc1csc(NC(=O)C[C@@H]2CCc3ccccc32)c1C#N 589034852 QVTXCJQFLAVRLH-ZDUSSCGKSA-N 296.395 3.987 30 20 CHED Cc1cc(CSc2ccc(C#N)cc2F)oc1C(=O)O 832885414 SBGZZMWBELUXKC-UHFFFAOYSA-N 291.303 3.589 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 736240727 PZTQJUHVAFOFGW-CYBMUJFWSA-N 295.810 3.754 30 20 CHED N#CCC[C@@H](NCc1ccc2c(n1)CCC2)c1ccccc1 580165339 SQRVRLLJOJKMND-GOSISDBHSA-N 291.398 3.705 30 20 CHED C=CC[C@H](NC(=O)Nc1ccc(C)cc1)c1ccncc1 734515637 OIDWFMGYLKJLQB-INIZCTEOSA-N 281.359 3.829 30 20 CHED C#CC(C)(C)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 733873343 UUOMIWDZGPFXCA-RAXLEYEMSA-N 269.388 3.525 30 20 CHED CCC[C@@H](C(=O)N(C)C[C@H](C)C#N)c1ccc(Cl)cc1 596892894 ABIJNANJBOSTHI-IUODEOHRSA-N 292.810 3.842 30 20 CHED CSc1ccc(Cl)c(NC(=O)N(C)C[C@H](C)C#N)c1 596977149 HAOOASXAWHNFEP-SECBINFHSA-N 297.811 3.685 30 20 CHED C[C@@H](C#N)OC(=O)CCOc1ccccc1-c1ccccc1 915000959 NHMSWEDADLCDHJ-AWEZNQCLSA-N 295.338 3.578 30 20 CHED C[C@@H](C#N)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 595719077 ZZJJFEZHRRKQAY-VIFPVBQESA-N 269.175 3.870 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc2c(c1)CCC2 915961142 AGBFCESBCZGWEX-UHFFFAOYSA-N 275.355 3.883 30 20 CHED CCC[C@H](CN[C@@H](CC)c1ccc(C#N)cc1)OCC 599062513 XQWFKFAJQXUNQY-SJORKVTESA-N 274.408 3.804 30 20 CHED C=CCOc1ccccc1CNC(=O)CC1=CCCCC1 599813486 DCEINNCFCNIQJN-UHFFFAOYSA-N 285.387 3.758 30 20 CHED C=CCC1(NC(=O)Nc2ccc(F)nc2F)CCCCC1 844684622 NGCWWUMROCPOSB-UHFFFAOYSA-N 295.333 3.760 30 20 CHED CN(C)c1ccc(/C=C2\CCc3c(O)cccc3C2=O)cc1 742433973 BKZXEACPMZVLAM-WYMLVPIESA-N 293.366 3.671 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccccc1C 743462627 KMFUIYHUFGUORB-UONOGXRCSA-N 262.349 3.580 30 20 CHED CCOc1cc(C=NNc2cc(C)cc(C)c2)ccc1O 916346826 WTEGHNKKKOBMTO-UHFFFAOYSA-N 284.359 3.854 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1C[C@@H]1Cc1ccccc1 742411204 BGIQFLBXFKBPMF-CMPLNLGQSA-N 289.791 3.711 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCCC2)C1 594338270 VYOZOZIJZAKXOW-HNNXBMFYSA-N 296.414 3.530 30 20 CHED C#CCN(C(=O)/C=C(\C)C(C)(C)C)C1CCCCC1 742592091 GKUHLUYZYNWBEN-BUHFOSPRSA-N 261.409 3.773 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 594038299 MOBKJDNOQSGCDP-JKSUJKDBSA-N 298.430 3.988 30 20 CHED Cc1cccc(CCCN2CCC[C@@H](CC#N)C2)c1 595621563 WGRUHLCFXWFEPR-KRWDZBQOSA-N 256.393 3.553 30 20 CHED Cc1cc(C)c(NN=Cc2cnc(C3CC3)nc2)c(C)c1 841626920 WMTYVSKNZZBPNH-UHFFFAOYSA-N 280.375 3.725 30 20 CHED CCCCCCCCCNC(=O)N[C@H]1CCSC1 743691743 SRWZLFWDGXQMHB-ZDUSSCGKSA-N 272.458 3.542 30 20 CHED C=CCC(C)(C)c1noc(CNc2cccc(OC)c2)n1 844921105 YCUPJUBQUCCHDM-UHFFFAOYSA-N 287.363 3.544 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1ccc(F)c(F)c1 748997694 GSRRIRCCEYVAFL-KTAJNNJTSA-N 279.673 3.909 30 20 CHED Cc1cccc(/C=C2\CCc3c(O)cccc3C2=O)c1 742435294 SLWORNHEOMYAFV-SDNWHVSQSA-N 264.324 3.913 30 20 CHED CCC[C@H](C)c1noc(-c2cc(C#N)ccc2C)n1 923868883 OXPRIQUETFSFFI-NSHDSACASA-N 255.321 3.820 30 20 CHED Cc1ccc(C)c(COC(=O)c2ccccc2OCC#N)c1 920413570 XPAOAPMJYRTSMN-UHFFFAOYSA-N 295.338 3.563 30 20 CHED C=CCC1(NC(=O)N[C@H](c2ccccn2)C2CC2)CCCC1 925570462 APJKNKMKLDXCNV-INIZCTEOSA-N 299.418 3.721 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(C)s1 754673704 YATFIKHXJCKENA-ZIAGYGMSSA-N 294.464 3.520 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCO[C@@H](c2cccc(C#N)c2)C1 753548104 CFGSCQAESMCVGH-ATZDWAIDSA-N 298.430 3.758 30 20 CHED C#CCCCC(=O)NC1(c2c(Cl)cccc2Cl)CC1 758674582 RBMGQBVRZUDDHS-UHFFFAOYSA-N 296.197 3.902 30 20 CHED C#C[C@H](CC)NC(=O)N(CCCC)[C@@H](C)c1ccccc1 753247718 OBBXRXHODGOONH-DOTOQJQBSA-N 286.419 3.971 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 755378339 ZVALTBQVLSNOHF-DOMZBBRYSA-N 272.392 3.868 30 20 CHED COc1cccc(C=NN2CCCC[C@@H]2C)c1OC(C)C 853379176 FEYLYVVQLJYVQS-AWEZNQCLSA-N 290.407 3.691 30 20 CHED C=C(C)CNC(=O)Nc1ccc(F)cc1OC1CCCC1 681774108 RQKZECLXYUVCIU-UHFFFAOYSA-N 292.354 3.845 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@H](CC)CC1)c1ccccc1 757762435 PNHNSCITFUSKCH-FUHWJXTLSA-N 298.430 3.973 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(C)ncn1 758629817 KPOALSDNWMHXFK-UHFFFAOYSA-N 277.412 3.608 30 20 CHED C=CC1CCN(C(=O)/C=C/c2cccc(OCC)c2)CC1 859328585 IOMLVZCVGKGLFM-CMDGGOBGSA-N 285.387 3.523 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cnc3n2CCC3)cc1 853331904 KGDLXEXVISFWMB-UHFFFAOYSA-N 282.391 3.573 30 20 CHED C#CC[C@@H](NCc1csc(C2CC2)n1)c1ccccc1 756995045 CSCICHREWLIAQB-MRXNPFEDSA-N 282.412 3.875 30 20 CHED CC(C)[C@H]1CC(=NNc2ccnc(Cl)c2)CS1 853395207 OYQWEJBLJCFBPN-LLVKDONJSA-N 269.801 3.664 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc2c(c1)-c1ccccc1C2 751157079 BAVWRWRIEIHUFX-GOSISDBHSA-N 291.350 3.963 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)N(C)Cc1ccccc1C 853783685 PIIPFEVEUJUTNQ-ZDUSSCGKSA-N 297.851 3.828 30 20 CHED C#CC[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 757925071 KLSAGSFEXYPZNJ-HNNXBMFYSA-N 299.757 3.540 30 20 CHED Cc1oc2ccccc2c1C=Nn1cnc2ccccc21 758098873 XBVPDSQORNGSEI-UHFFFAOYSA-N 275.311 3.973 30 20 CHED COc1cccc2c1C/C(=C\c1cccc(F)c1)C2=O 759663202 BIKBOBFQBGBSQA-XYOKQWHBSA-N 268.287 3.657 30 20 CHED CCCCNN=Cc1c(C)[nH]c2ccc(Cl)cc12 752727794 STYQUAYZRZCCCV-UHFFFAOYSA-N 263.772 3.853 30 20 CHED COCC(CC(C)C)=NNc1ccc(F)cc1C 750938143 CHQAGIQLPZPHNN-UHFFFAOYSA-N 252.333 3.595 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1-c1n[nH]c(CC)n1 935088073 VCOGTCBRRPNUPW-GFCCVEGCSA-N 298.390 3.575 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(C)oc1C 769828193 DPHPOIHMFFUVDM-UHFFFAOYSA-N 291.282 3.780 30 20 CHED CC(=NNc1ccnc(Br)c1)c1ccccc1 769809449 CCYRPOCMLVTNOW-UHFFFAOYSA-N 290.164 3.680 30 20 CHED C#CCCNc1ccc(OCC(F)F)c(C(F)(F)F)c1 766773666 GQLQHUSJWQTSTN-UHFFFAOYSA-N 293.235 3.785 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)c1ccc(F)cc1 767978413 QFLISNBLOCOOEH-UHFFFAOYSA-N 297.329 3.984 30 20 CHED C=CC[C@@H](C)C(C)=NNc1ccc(OC)cc1[N+](=O)[O-] 767803755 QMDIYPFFZDEECL-SNVBAGLBSA-N 277.324 3.603 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)c(C)c2)cc1F 766492736 XIKVIZCJFQQUSB-QPJJXVBHSA-N 295.313 3.911 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccc(C)c(F)c2)cc1 764739348 UFKPKWHDRPVOGW-HNNXBMFYSA-N 297.373 3.997 30 20 CHED C#CCN(C(=O)c1ccc(C=C)cc1)C1CCCCC1 760200870 OIJSUXOOBRQRAD-UHFFFAOYSA-N 267.372 3.738 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1cc(Cl)ccn1 766029781 OQKRRHMGLCDPLN-SECBINFHSA-N 251.761 3.959 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNCC(F)(F)F 769825606 ULEQMXOMLQEUOP-NXEZZACHSA-N 250.308 3.587 30 20 CHED CCC(=NOCC(F)F)c1cccc(Cl)c1F 763405302 AJWSYRMWDUIRPL-UHFFFAOYSA-N 265.662 3.875 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cscn1)c1ccncc1 768103580 HFJYEGIJFDKDMJ-WCQYABFASA-N 259.378 3.506 30 20 CHED Cc1cccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])c1C 772806511 LMQIGPGDEZGGLF-RMKNXTFCSA-N 297.310 3.813 30 20 CHED C#CCCCCCCN[C@@H](C)c1ccc2nc(O)[nH]c2c1 877031034 LRKCDYOUCJWNNZ-ZDUSSCGKSA-N 285.391 3.503 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](CC)[C@@H](O)c1c(F)cccc1F 773028931 IODIXWHENUTELQ-ZILJWTLNSA-N 297.389 3.967 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc(-c2ccccc2)cc1 770937359 OGYPWKAJZBIGAB-ZDUSSCGKSA-N 265.312 3.670 30 20 CHED CCc1cccnc1C(C)=NNCc1cccc(Cl)c1 779774737 KVNFEQARIGJPEV-UHFFFAOYSA-N 287.794 3.811 30 20 CHED CCC[C@H](CC)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 873495422 NFRIOAGLNSPBIH-NWDGAFQWSA-N 269.348 3.565 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)cc1F 772797235 MXRSJYVJORKKKY-XQRVVYSFSA-N 299.276 3.741 30 20 CHED CC(C)OCCNN=C1C[C@@H](C)C[C@H](c2ccccc2)C1 778553275 AKBAKUGSGMOPFT-RDJZCZTQSA-N 288.435 3.961 30 20 CHED C#CCCCCCC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 779855880 CPJAFLKAXUAPMZ-DZGCQCFKSA-N 273.376 3.603 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1csc2ccccc12 777508534 BTSVJCVVJMSVBW-LLVKDONJSA-N 274.389 3.790 30 20 CHED Fc1ccc2[nH]cc(C=NOCCC(F)(F)F)c2c1 777462879 PXDNDDRSPZLZOW-UHFFFAOYSA-N 274.217 3.610 30 20 CHED C#CCCCCCC(=O)N(c1cccc(C#C)c1)C(C)C 779914920 YTZZUURSWJHDLE-UHFFFAOYSA-N 281.399 3.993 30 20 CHED C/C(=C\C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 776111391 FJVRCPWEPYQHDK-FYWRMAATSA-N 291.350 3.899 30 20 CHED C#CCCCCC(=O)[C@H](C#N)c1ccc2ccccc2n1 773759488 FVZUZBYBUNUMPH-OAHLLOKOSA-N 276.339 3.605 30 20 CHED CC(C)c1nccnc1NN=C1CCCCC1(C)C 773090292 FIAIBRUFQBNODD-UHFFFAOYSA-N 260.385 3.968 30 20 CHED C=C1CCC(C(=O)Nc2cc(OC)ccc2F)CC1 889460574 ABENYQWLEFXBKK-UHFFFAOYSA-N 263.312 3.519 30 20 CHED CCCCC(COC)=NNc1ccc(C#N)c(Cl)c1 783877417 KCKGTRAURQVIQV-UHFFFAOYSA-N 279.771 3.816 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1cc(F)cc(F)c1 784086091 ZGAHFWXXSFDBKE-VIFPVBQESA-N 267.275 3.509 30 20 CHED C=CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C 787406389 JVNMSKMBFHNIGT-GXDHUFHOSA-N 274.364 3.895 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)CCc2ccc(Cl)c(F)c2)C1 1122655393 KRMHBTRPJOLBAS-VXGBXAGGSA-N 295.741 3.647 30 20 CHED C=CC[C@@H](C(=O)O[C@@H](C)CCCOC)c1ccccc1 1123324956 RNTUIBMOXVDAQO-GOEBONIOSA-N 276.376 3.705 30 20 CHED C[C@H](CCON=C1CCCOCC1)OCc1ccccc1 788787578 NHUUEXLUHNOOBU-OAHLLOKOSA-N 291.391 3.555 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(Br)cc1 500102379 CPRYCGZSGGGKEW-NSHDSACASA-N 297.196 3.925 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccc(-c3nnco3)cc2)no1 896227207 PLRPVQRTYVHGPE-UHFFFAOYSA-N 296.330 3.541 30 20 CHED C#CCC1(C(=O)N2CCc3c(C)cccc3C2)CCCCC1 788212672 MYMVQLZPXRZQAM-UHFFFAOYSA-N 295.426 3.854 30 20 CHED C#C[C@@H](OC(=O)C[C@@H](C)c1c[nH]c2ccccc12)C1CC1 786474178 NWFBZBUCVMNFMC-SJKOYZFVSA-N 281.355 3.617 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1nsc2ccccc12 892731055 SOSXQYJFYZUFGM-OAHLLOKOSA-N 274.389 3.861 30 20 CHED C=C(CC)COC(=O)c1cc(Cl)ncc1Cl 781361547 PHIRLARZCOVTGK-UHFFFAOYSA-N 260.120 3.511 30 20 CHED C[C@@H]1CCc2c(F)cccc2C1=NNc1ccnc(F)c1 781124551 IYDRRXFVFCSGHK-SNVBAGLBSA-N 287.313 3.758 30 20 CHED C=C1CC(c2noc(COCc3cccc(Cl)c3)n2)C1 896873526 CLVJTLKAEHNYBW-UHFFFAOYSA-N 290.750 3.873 30 20 CHED CCCCc1nnc(S)n1N=C[C@@H]1CCC[C@@H](CC)C1 783798914 KUBNJSKZHJYINN-CHWSQXEVSA-N 294.468 3.960 30 20 CHED C[C@H](C(=O)OCCCC(C)(C)C#N)c1cccs1 783746768 UBZGHKDQBIXGSZ-NSHDSACASA-N 265.378 3.725 30 20 CHED C=C1CC(c2noc(C[C@@H](C)c3ccc(OC)cc3)n2)C1 896883135 NSTCGTQDKZYEJH-GFCCVEGCSA-N 284.359 3.858 30 20 CHED C#CCCCCCC(=O)NC1(C)CCC(F)(F)CC1 784141649 VXEHZVLVSIMVRY-UHFFFAOYSA-N 271.351 3.654 30 20 CHED CCC1(C=NNc2ccc(F)cc2F)CCOCC1 781115127 ICXSPXHWAVXMCQ-UHFFFAOYSA-N 268.307 3.569 30 20 CHED C#CCCCCCCN[C@@H]1CCCc2cccnc21 897070726 MYMKVKRGMVMXAJ-MRXNPFEDSA-N 256.393 3.632 30 20 CHED C#Cc1cccc(N(C)C(=O)C2CCCCCC2)c1 103030246 CAIOVTNEVUCYTM-UHFFFAOYSA-N 255.361 3.601 30 20 CHED C[C@@H](CCC#N)Sc1ccc(C(F)(F)F)cn1 188261879 KNOVWUJWAVOPOL-QMMMGPOBSA-N 260.284 3.885 30 20 CHED C=CCCCCC[C@@H](C)NCc1ncnn1-c1ccccc1 793565520 LSBRPYWWVCCPQS-MRXNPFEDSA-N 298.434 3.882 30 20 CHED C#CCC1(C(=O)NC[C@H]2CCC[C@H]2C)CCCCC1 798683872 VXCBUNXSXPFUMK-HUUCEWRRSA-N 261.409 3.513 30 20 CHED COc1ccc(C=NN[C@@H](C)C(C)(C)C)c(Cl)c1 793110999 FEWKZYNRGNPEDQ-JTQLQIEISA-N 268.788 3.707 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2cccc(Cl)n2)o1 793175383 SVUVHNCLSNLXGK-KOLCDFICSA-N 275.739 3.897 30 20 CHED CCCCCCCCNC(=O)NCCc1cccc(C)n1 792147572 JOSPOWMMJXOVCT-UHFFFAOYSA-N 291.439 3.592 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc(Cl)c(C)c1 797251375 CDNRPRGRYIIBEX-CQSZACIVSA-N 265.740 3.632 30 20 CHED C=C(C)CNc1ccc(Br)c(C(=O)OC)c1C 792740742 RABYFRVXZVAFEP-UHFFFAOYSA-N 298.180 3.532 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccccc2-n2ccnn2)s1 794731263 JCSQYVHRQZFUJE-HJWRWDBZSA-N 295.367 3.533 30 20 CHED CC#CCCOC(=O)c1ccc(-c2csc(C)n2)cc1 799518930 WCVPHOFEHXKQGU-UHFFFAOYSA-N 285.368 3.689 30 20 CHED CC(C)N(C)c1ccc(C=NNc2ccccc2F)cn1 790155686 PNAAFAPIRNRDFI-UHFFFAOYSA-N 286.354 3.511 30 20 CHED C#Cc1cccc(NC(=O)C(C)(C)C2CCCC2)c1 756904306 GTGCAUUYQQIBLQ-UHFFFAOYSA-N 255.361 3.823 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1F)c1cccc(C#N)c1 91436904 IBXPMRQFINWOLS-LLVKDONJSA-N 265.291 3.742 30 20 CHED CCCC[C@@H](C)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1300272577 XDFQZLPYGFYKBL-SNVBAGLBSA-N 284.363 3.508 30 20 CHED C=C(C)COC(=O)c1[nH]c2ccc(C)cc2c1Cl 1317887252 DNGZPSCYLXFMPZ-UHFFFAOYSA-N 263.724 3.863 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cccc2[nH]ccc12 1319314983 VVYQAEYFIYKKEG-UHFFFAOYSA-N 274.323 3.548 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(C)c(Cl)c1Cl 1328887779 RYQBENQPZSMACH-SECBINFHSA-N 285.174 3.835 30 20 CHED Cc1ccc(NN=CCC(F)(F)F)cc1Cl 1325458417 IEUXXQPHTPYKNJ-UHFFFAOYSA-N 250.651 3.999 30 20 CHED N#CC1(c2ccccc2)CC(Nc2cccc3c2OCC3)C1 1329160574 GZCLBMVIXUDXAA-UHFFFAOYSA-N 290.366 3.657 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cccnc2N(C)C)c1 1328934095 FEBODVYDTMQFRH-MDZDMXLPSA-N 280.371 3.661 30 20 CHED Cc1nc(C#N)cc(N[C@H](c2ccccc2C)C(C)C)n1 1185331048 JCEISFUQBDLVLS-KRWDZBQOSA-N 280.375 3.774 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Cl)cc1OC 1337176301 JELPVSQSFPKFQH-UHFFFAOYSA-N 253.729 3.643 30 20 CHED Cc1ccoc1C(=O)N(c1ccccc1C#N)C1CCC1 1331916451 DTYPFOXPTOWWIV-UHFFFAOYSA-N 280.327 3.659 30 20 CHED Cc1ccccc1[C@H](C)C(=O)O[C@H](CC#N)c1ccco1 1263660635 LGBLQBALBHQMDI-XJKSGUPXSA-N 283.327 3.890 30 20 CHED Cc1ccc(NN=C2CCOC2(C)C)cc1Cl 1347622987 SYNRDTQLOLDNSY-UHFFFAOYSA-N 252.745 3.615 30 20 CHED C=CCN(CC=C)[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1 211520330 WQFNFVVENNSNMG-CYBMUJFWSA-N 299.292 3.505 30 20 CHED Cc1cccc(CCNc2ccc(F)cc2C#N)c1 111238364 SBUBRMMZBBKNBP-UHFFFAOYSA-N 254.308 3.660 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCC[C@@H](CC)C1 1520422329 KMXITOCVPWBZEC-CHWSQXEVSA-N 294.468 3.515 30 20 CHED Cc1cc(NCC2(C)CCC(C)CC2)ncc1C#N 1458356163 OITGSUQIHXTDGA-UHFFFAOYSA-N 257.381 3.890 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1528070181 CSKSNZFZQRAPAW-SECBINFHSA-N 255.720 3.623 30 20 CHED CCOC(=O)[C@H](CC(C)C)Sc1ccc(C#N)c(C)c1 1459144649 YYDUXVAMYFMOPQ-HNNXBMFYSA-N 291.416 3.937 30 20 CHED C[C@H](CCNC(=O)c1ccc(C#N)cc1F)c1ccccc1 1524364655 ODGZQNHNAWUUPA-CYBMUJFWSA-N 296.345 3.621 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)NCc1ccc(C#N)cc1 1468955635 RXVFSCYAPBCGCX-KRWDZBQOSA-N 299.418 3.668 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)O)ccc1Cl 1609189906 KALARRBSBRDSTN-UHFFFAOYSA-N 281.739 3.579 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CCCCCC1 1539799116 MESAEFJKBOAEPW-UHFFFAOYSA-N 294.830 3.679 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)Nc1cc(C#N)ccc1F 1476715285 QCHWMEPXVDYQHJ-SNVBAGLBSA-N 287.294 3.515 30 20 CHED Cc1cc(CN2C[C@@H](C)CCC[C@H]2C)ccc1C#N 1621175893 KZDSLZVBHPVILQ-DZGCQCFKSA-N 256.393 3.877 30 20 CHED N#Cc1ccccc1N1CCN(CCC2CCCCC2)CC1 1621222703 BGBDVTQSDSRTDU-UHFFFAOYSA-N 297.446 3.651 30 20 CHED C[C@H]1CN(CCc2ccc(C#N)cc2)c2cccc(F)c2O1 1559761125 JGHKEJZUBQHOGY-ZDUSSCGKSA-N 296.345 3.527 30 20 CHED C[C@H](CCC#N)CN1CCCN(C)c2ccc(Cl)cc21 1560867129 YQFSBQVLHDELGY-CYBMUJFWSA-N 291.826 3.926 30 20 CHED Cc1cc(C)nc(SCCOc2cccc(C#N)c2)c1 229851671 JSBDHUJTOHBPCK-UHFFFAOYSA-N 284.384 3.741 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccc2c(c1)COC2 1643241598 ZPXSIVRLILNGDQ-UHFFFAOYSA-N 290.366 3.541 30 20 CHED N#Cc1cnc(NCCc2c(F)cccc2Cl)c(F)c1 1642390484 STPRNGSCOKEHBO-UHFFFAOYSA-N 293.704 3.539 30 20 CHED CCc1ccc2c(c1)CCN2c1ccc(Cl)c(C#N)n1 1643298723 WTJRLOVKIOMQBM-UHFFFAOYSA-N 283.762 3.863 30 20 CHED N#Cc1cccc(SCC(=O)c2ccsc2)c1 1640957227 JZBYYCNFOFXWRC-UHFFFAOYSA-N 259.355 3.595 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC[C@H]1C(=O)O 1588771508 WNWJQCJJGIUVFS-FPCVCCKLSA-N 279.424 3.602 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cnc(-c3cccs3)s2)C1 1658163949 JRWJZWAKMDQINZ-WDEREUQCSA-N 289.429 3.653 30 20 CHED C=CC[C@@H](CC(C)C)C(=O)Nc1cccc(C(=O)O)c1 1776151939 KKVCQLUHHZQSHB-LBPRGKRZSA-N 275.348 3.562 30 20 CHED C=CCc1ccccc1C=NNc1ccccc1C(=O)O 1776031944 GARQKTLYXCEDIO-UHFFFAOYSA-N 280.327 3.559 30 20 CHED O=C(O)c1cccc(NN=C2CCc3ccccc3CC2)c1 1776037162 DKKXOTXLINDTOQ-UHFFFAOYSA-N 294.354 3.732 30 20 CHED C=CCCC[C@H](NC[C@H](CCC)c1ccccc1)C(=O)O 1776171186 FUXUWWZXIBHKFV-IRXDYDNUSA-N 289.419 3.969 30 20 CHED C#C[C@@H](C)OC(=O)c1cc(-c2ccccn2)ccc1Cl 163588073 GKWJZGBXWHNFSG-LLVKDONJSA-N 285.730 3.581 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1cccc2ccccc12 151560899 ABUYVGFLGIRJED-GFCCVEGCSA-N 289.338 3.531 30 20 CHED C=CCn1c(SCCC#CC)nnc1-c1ccoc1C 155076949 AEZOIESTYNJYRN-UHFFFAOYSA-N 287.388 3.538 30 20 CHED Cc1cccc(C)c1NC(=O)N(CCC#N)Cc1ccco1 156060436 MFBBGZWGFGOOLD-UHFFFAOYSA-N 297.358 3.844 30 20 CHED Cc1cc(F)cc(NC(=O)CCc2ccc(C#N)cc2)c1 155258530 ZZUZOVDOYMHJCT-UHFFFAOYSA-N 282.318 3.577 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(SCC#N)c1 155896929 NDLAMTGTJIWHQY-WFASDCNBSA-N 288.416 3.611 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 156997980 BYDWHYOYKVJMRL-INIZCTEOSA-N 284.403 3.576 30 20 CHED CCCSC[C@@H](C)Nc1cccc(OCC#N)c1 1120037574 HPQDWVJQKPFKIH-GFCCVEGCSA-N 264.394 3.533 30 20 CHED C[C@@H](CCc1ccc(O)cc1)Nc1cccc(C#N)c1 19922218 FTTPETJQJJYONV-ZDUSSCGKSA-N 266.344 3.697 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)O 139577265 WYOFGNUIJOOGQU-CQSZACIVSA-N 283.412 3.593 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1nc2c(cc1C#N)CCC2 252414540 INWVXTIRTVIRQY-TYNCELHUSA-N 269.392 3.679 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(C(C)(C)C)cc1 42530484 ILJBDWINJQITQK-UHFFFAOYSA-N 272.392 3.748 30 20 CHED Cc1ccccc1OCCCOc1cccc(C#N)c1 34674981 ZSCLZGDZWSPPJD-UHFFFAOYSA-N 267.328 3.715 30 20 CHED Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)o1 37280829 IAXYKPUXZFMWKQ-CHWSQXEVSA-N 254.333 3.872 30 20 CHED COc1ccc(COc2cc(Cl)ccc2C#N)cc1F 161651604 HAVVHHSVWHOUKZ-UHFFFAOYSA-N 291.709 3.938 30 20 CHED Cc1cccc(C(=O)NC2(C#N)CCCCC2)c1Cl 162882431 FZMKWCUEEMUPBM-UHFFFAOYSA-N 276.767 3.605 30 20 CHED C=C(C)COCCN[C@@H]1CCCC[C@H]1c1ccccc1 163516467 RBELZJPGJUJTTC-ZWKOTPCHSA-N 273.420 3.895 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(Cl)ccc1F 49490081 DMORJDRRMSOGIE-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1cc(Cl)ccc1NCCc1ccc(O)cc1 52857636 VBEZOGDFTXDILW-UHFFFAOYSA-N 272.735 3.572 30 20 CHED Cc1nc(C#N)cc(N(C)[C@@H](C)c2cccc(Cl)c2)n1 308158231 CCQGQEJNTLQMMT-JTQLQIEISA-N 286.766 3.508 30 20 CHED Cc1nc(C#N)cc(Oc2ccc(Cl)c(Cl)c2)n1 308281987 WJDPSLGIKCPWAU-UHFFFAOYSA-N 280.114 3.756 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@H]1CCCSC1 310286620 XVYKRSDCAOTHTD-SNVBAGLBSA-N 266.797 3.767 30 20 CHED CCC[C@@H](C#N)NC(=O)CCc1ccc(Cl)cc1Cl 522583262 PQHWLVJPOZLATM-LBPRGKRZSA-N 299.201 3.734 30 20 CHED CC[C@@H](CC#N)NCc1ccsc1C(F)(F)F 529544630 UGWAOWXUAUNIII-VIFPVBQESA-N 262.300 3.549 30 20 CHED N#Cc1ccc(NC(=O)c2cc(F)ccc2Cl)cc1 335918761 RJXSDURHLIBWPW-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=CCOc1ccccc1CN[C@H]1CC=C(C)CC1 552117505 MZHODDSDLGQDGQ-INIZCTEOSA-N 257.377 3.840 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccccc2)CCCC1 449039087 AZSVAVGTVNFJKR-UHFFFAOYSA-N 257.377 3.782 30 20 CHED C=CC[C@H](CC)NCc1cc2c(cc1SC)OCCO2 341502399 ZVMBIKJJJACWHU-ZDUSSCGKSA-N 293.432 3.624 30 20 CHED C[C@H](Nc1cccc2c1CCO2)c1ccc(C#N)cc1 479516603 UZBOYCQJCRFPQL-LBPRGKRZSA-N 264.328 3.666 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CC[C@H](CN)CC1 834778215 OLOCRQGVUPNNPE-WKILWMFISA-N 282.472 3.618 30 20 CHED C=CCNC(=S)Nc1ccc(N2CCCCCC2)cc1 7370015 UWXZAAODWNENMD-UHFFFAOYSA-N 289.448 3.539 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 55206892 LRDMSDHTEHHUGD-UKRRQHHQSA-N 275.392 3.760 30 20 CHED C=CCCc1nc(-c2cccc(CN3CCCCC3)c2)no1 109569509 QSYAYSZZOYNPMZ-UHFFFAOYSA-N 297.402 3.841 30 20 CHED COc1cc(C)ccc1NCc1ccc(O[C@H](C)C#N)cc1 178196286 VGTIAZJGGIIVIZ-CQSZACIVSA-N 296.370 3.907 30 20 CHED C=C(Br)CN(CC1CCC1)CC(F)(F)F 178459418 LOPHPQWFACNBDR-UHFFFAOYSA-N 286.135 3.559 30 20 CHED C=CCCCSCc1noc(-c2cccs2)n1 117943592 DSJMIAKLSVSECS-UHFFFAOYSA-N 266.391 3.998 30 20 CHED Cc1ccsc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 110013333 OCULWDZXLGLDIQ-QGZVFWFLSA-N 298.411 3.701 30 20 CHED CN(C(=O)c1ccccc1-c1ccccc1C#N)C1CCC1 172698725 RFRWSUDEKOUDJG-UHFFFAOYSA-N 290.366 3.850 30 20 CHED CCOc1ccc(CNc2ccc(C#N)cc2)cc1F 106066216 RUFPDAPCACCMFH-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C#Cc1cccc(N(C)C(=O)c2sccc2SC)c1 107146207 KZGMHGFKFPJOJH-UHFFFAOYSA-N 287.409 3.728 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1CCc1ccccc1 116971073 CPAUQMKWXGMRPZ-DOTOQJQBSA-N 286.419 3.758 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc(-c2ccco2)on1 111250949 KQAKZMPYONLACR-UHFFFAOYSA-N 287.363 3.696 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)cc1)c1nc(C)cs1 174502463 VFTFFGQOUGUOGQ-MRXNPFEDSA-N 285.416 3.738 30 20 CHED C=CC[C@@H](C)NC(=O)c1sc(C)nc1-c1ccccc1 172323674 MJHLPNQYYDMFBU-LLVKDONJSA-N 286.400 3.813 30 20 CHED Cc1ccnc(NCc2ccccc2Cl)c1C#N 135057383 HLOBSZORQRTSON-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1ccc(Oc2nccc(C#N)c2[N+](=O)[O-])c(Cl)c1 301668263 PFKOEAXGMKORPW-UHFFFAOYSA-N 289.678 3.616 30 20 CHED Cc1cnc([C@@H](C)/N=C/c2cc3ccccc3nc2O)s1 175894954 WYEHUPOTWFVOJZ-LBFZPMSMSA-N 297.383 3.885 30 20 CHED CCO[C@H](CCNc1c(F)cc(C#N)cc1F)C(C)C 301456488 WPIDGKDUKZCUGC-CQSZACIVSA-N 282.334 3.700 30 20 CHED C=CC1CCN(C(=O)CSc2ccc(C)cc2)CC1 110369061 SJHRIZQRHFRZAD-UHFFFAOYSA-N 275.417 3.512 30 20 CHED COc1cc(C)ccc1[C@H](C)NCc1cccc(C#N)c1 37748927 FNKQMPLANCYONH-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccon1 121032437 FLPHVXGWDJXXIT-UHFFFAOYSA-N 297.767 3.610 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCCN(c2ccccc2)C1 301289476 MZYBEQZDXZFDGR-CQSZACIVSA-N 295.361 3.778 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C#N)cc2)c2ccccc21 31785330 XJSKIWIBMJBOAL-ZDUSSCGKSA-N 276.339 3.712 30 20 CHED N#Cc1ccc(N2C[C@H]3CCC[C@H]3C2)c(C(F)(F)F)c1 301593156 DVXDHKOAHJDFQR-TXEJJXNPSA-N 280.293 3.813 30 20 CHED Cc1ccc(Nc2ncccc2C#N)cc1OCC(F)F 301202298 XDBCLTPMODWTSV-UHFFFAOYSA-N 289.285 3.649 30 20 CHED Cc1cc(C)cc(N/C(N)=N/Cc2ccc3c(c2)CCC3)c1 303888733 PBGDIQNAYGPQDZ-UHFFFAOYSA-N 293.414 3.719 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1ccccc1C#N 179095233 HCKRUBZJZXKFAI-CVEARBPZSA-N 274.433 3.712 30 20 CHED CC(C)[C@H](SCc1ccccc1)C(=O)OCCCC#N 171224956 LVFVDJBUFUOYKV-HNNXBMFYSA-N 291.416 3.791 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cc2cc(F)ccc2s1 176789567 YZIGWWSVIWAABA-NSHDSACASA-N 277.320 3.745 30 20 CHED N#Cc1ccc(OC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 121049339 SRAWFJMSHVCLJM-RYUDHWBXSA-N 297.276 3.832 30 20 CHED C#CCOc1ccccc1CNCCSc1ccccc1 37854683 NPMMMPSRGORRNM-UHFFFAOYSA-N 297.423 3.581 30 20 CHED CC(C)(C)c1ccc(C(=O)NCc2cccc(C#N)c2)s1 128982391 HJCAJUVMRGGUGK-UHFFFAOYSA-N 298.411 3.847 30 20 CHED CC(C)c1nc(CSc2cc(C#N)ccn2)cs1 78755172 FKCJTIUDABRLPK-UHFFFAOYSA-N 275.402 3.825 30 20 CHED C=C(C)CN(CC)C(=O)CC(C)(C)c1ccccc1 121488292 XEJKRLPXDKPXTI-UHFFFAOYSA-N 259.393 3.779 30 20 CHED CCN(Cc1ccc(Cl)s1)C[C@@H](C#N)CCC#N 78773304 YKEWXJDJABNJBT-LLVKDONJSA-N 281.812 3.667 30 20 CHED C[C@@H](NCC#Cc1cccc(Cl)c1)c1cccc(O)c1 181508986 GSRQIZLWLHKHMZ-CYBMUJFWSA-N 285.774 3.748 30 20 CHED COc1cc(C#N)ccc1NC(=O)Nc1ccc(C)cc1 128109620 ZLGGRROOHFVLBX-UHFFFAOYSA-N 281.315 3.519 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2ccc(O)cc2)c1 33472152 YVEPXIBUMIQDRR-YFHOEESVSA-N 252.313 3.905 30 20 CHED C[C@H](C#N)N[C@H](CCc1ccccc1)c1ccccc1 128940302 BAVPHNIWUOYHFB-CRAIPNDOSA-N 264.372 3.862 30 20 CHED C=CCCN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 181148736 MUKYMVVSHJYESH-AWEZNQCLSA-N 269.392 3.627 30 20 CHED CCCOc1ccc(CN[C@@H](CC)CC#N)cc1OCC 184097722 GMAIBYPJMAXKCD-HNNXBMFYSA-N 290.407 3.656 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1 75297684 VOOMYACSLLCOEP-MSOLQXFVSA-N 290.366 3.599 30 20 CHED CC(C)(C)OCCOc1ccc(Br)cc1C#N 123131105 IMEPCFKKESGFQJ-UHFFFAOYSA-N 298.180 3.515 30 20 CHED C[C@H](c1ccc2ccccc2c1)N(CC#N)C1CC1 70694141 OCYBEDIIYCTEDU-CYBMUJFWSA-N 250.345 3.889 30 20 CHED N#Cc1ccnc(SCCCOc2ccc(F)cc2)c1 77907158 NCRGPOHKRGRXFJ-UHFFFAOYSA-N 288.347 3.654 30 20 CHED C=CC[C@H](C(=O)NCC1(CC)CC1)c1ccccc1 188462405 KLDBVDBPVBYTFX-HNNXBMFYSA-N 257.377 3.653 30 20 CHED C[C@H](NCCC1(C#N)CCCCC1)c1ccncc1F 411690555 HPDZXLVBPIUHRW-ZDUSSCGKSA-N 275.371 3.735 30 20 CHED N#CCCN(Cc1ccco1)C(=O)CCCC1CCCC1 79844472 MLLIFGPCYZLOFC-UHFFFAOYSA-N 288.391 3.882 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 181755171 UXPFJNVLLGNHTE-UHFFFAOYSA-N 297.320 3.831 30 20 CHED C=CCC[C@H](CCC)NC[C@H](CO)c1ccc(F)cc1 414289965 NBKPYDJSDMAPRJ-WBVHZDCISA-N 279.399 3.626 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)[C@H]1C 416925346 SKRMHSFBKUKVOI-OUAUKWLOSA-N 291.782 3.720 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1c1ncon1 124089687 CLBBXIRZDJXGFH-CQSZACIVSA-N 293.411 3.874 30 20 CHED C=C(C)CCc1noc(CCNc2ccccc2C)n1 508664581 SPTDFNODPIONEP-UHFFFAOYSA-N 271.364 3.541 30 20 CHED CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 74918498 OYRAQIZDYNUYNK-LSDHHAIUSA-N 299.418 3.841 30 20 CHED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cn1 509458956 GHQRPMPENFNPCT-VBUUOAMHSA-N 289.382 3.868 30 20 CHED C#Cc1cccc(N(C(=O)CCCOC(C)C)C(C)C)c1 182599846 ZPAPNHIOMZCSHR-UHFFFAOYSA-N 287.403 3.615 30 20 CHED Cc1oc2ccccc2c1CNCc1cc(C#N)cs1 183920482 KFUQRARPJHPVPV-UHFFFAOYSA-N 282.368 3.964 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N(CC#N)C1CCCC1 78208464 IBRQOLRMBCEEDP-OAHLLOKOSA-N 284.403 3.783 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCC[C@H]2OC(F)F)c1 500502918 XOKWDPOBYLAUMT-HUUCEWRRSA-N 297.345 3.501 30 20 CHED CC#CCCCC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 185691105 LOKNLSIFFJYHKO-INIZCTEOSA-N 271.404 3.544 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)/C=C/c2cccnc2)n1 131165476 JBBKLFWSKWSVLS-URWSZGRFSA-N 297.383 3.551 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 410138755 HLDNWIAJDSKSJQ-UTUOFQBUSA-N 277.330 3.826 30 20 CHED Cc1ccc(C#N)c(NCCc2nc3ccccc3s2)n1 130974366 XHIMYEXVASVRBC-UHFFFAOYSA-N 294.383 3.526 30 20 CHED Cc1cc([C@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])c(C)o1 44730844 NWSYZWPOPSCDSA-JTQLQIEISA-N 285.303 3.849 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1nc(C)cs1)c1ccccc1 48619485 HVWRBQZTGHAOGG-BMGYJQCNSA-N 282.368 3.731 30 20 CHED C=C(C)[C@H](NCC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 187768987 RGIJRMYPNKGGRF-HNNXBMFYSA-N 297.345 3.513 30 20 CHED CCC[C@@H](C(=O)NCc1ccc(C#N)cc1)c1ccccc1 45223912 ZEHVBXJDGIUPKP-GOSISDBHSA-N 292.382 3.758 30 20 CHED C=CCCCC[C@H](C)NCc1nccc(C(F)(F)F)n1 414256292 WCRQCKBIMMFQNE-NSHDSACASA-N 287.329 3.720 30 20 CHED C=CC[C@H](C(=O)N1CCS[C@H](C)CC1)c1ccccc1 191367242 YPLNMMFZMWOVNP-ZBFHGGJFSA-N 289.444 3.700 30 20 CHED Cc1nc(C)c([C@@H](C)NCc2ccc(C#N)s2)s1 135685448 UVCRCTFXUHGQLF-MRVPVSSYSA-N 277.418 3.544 30 20 CHED Cc1cccc([C@@H](NC(=O)CC(C)(C)C#N)C(F)(F)F)c1 504338290 YWQIBPUEVAAYGU-CYBMUJFWSA-N 298.308 3.655 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1cccc(OC(C)C)c1 44099422 ICBGFAGVCSAJAH-CYBMUJFWSA-N 292.448 3.575 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 341448684 BWSXEVSUYCLUIH-RRFJBIMHSA-N 255.365 3.724 30 20 CHED CC(C)c1[nH]ccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425115482 TZSGYWKJRBYYQM-ZDUSSCGKSA-N 295.386 3.843 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)OC)ccc1Cl 191807292 HWRZPCZHDQBXIG-HNNXBMFYSA-N 295.766 3.667 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 191596958 GCKNHAUCYPJVIH-ILXRZTDVSA-N 299.418 3.912 30 20 CHED N#CC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 195315502 URCVHLLTFPQIRA-UHFFFAOYSA-N 283.400 3.546 30 20 CHED CN(Cc1ccc(Br)cc1)CC1(CC#N)CC1 88259321 DCNAATSZVLCTKF-UHFFFAOYSA-N 293.208 3.575 30 20 CHED Cc1ccccc1CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 80459119 TXUFDQZTAGQTET-CQSZACIVSA-N 298.411 3.994 30 20 CHED C[C@H](NC(=O)NC1CCCCCC1)c1ccc(C#N)cc1 47641143 MSCIBKADXOJGSR-ZDUSSCGKSA-N 285.391 3.641 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2C)C1 135585201 IBDOCWPKNBKNQF-CQSZACIVSA-N 285.391 3.911 30 20 CHED COc1cc(OCc2ccc(Cl)cc2C#N)ccc1C#N 194489199 YYZOEPKDXQYEDI-UHFFFAOYSA-N 298.729 3.671 30 20 CHED C=C(Cl)CSCc1nc2ccccc2nc1C 192678917 XEZCSLLBMVPFND-UHFFFAOYSA-N 264.781 3.924 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(NC(=O)CCC)c1 424609487 XFGYEPSXFMEHNJ-UHFFFAOYSA-N 288.391 3.966 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(C2CC2)c1 421348336 BGJYIGCRANPQKS-ROUUACIJSA-N 271.404 3.635 30 20 CHED CSCC[C@@H](C)Nc1ccc(C#N)c(Br)c1 228195471 JOBZDPNAEUHKLW-SECBINFHSA-N 299.237 3.874 30 20 CHED C=CCNC(=O)c1sc(-c2ccc(Cl)s2)nc1C 49275829 URNZDNLFIZCFPO-UHFFFAOYSA-N 298.820 3.749 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C/c1cc(Cl)cs1 195336086 ZPSPHRJOZUOIBU-DUXPYHPUSA-N 290.731 3.537 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(C)cc1C 191018501 UTSRKLNSQVJEBZ-QGZVFWFLSA-N 259.393 3.564 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3ccnc(C#N)c3)C2)cc1 516884815 SODAYVCCSGIPMD-GDBMZVCRSA-N 277.371 3.644 30 20 CHED CC1=C(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CCC1 336153608 NBPIEURGGSEJFQ-CQSZACIVSA-N 274.751 3.521 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)NCC#Cc1cccc(F)c1 513125679 IRTNEHVBPPBUPA-NVXWUHKLSA-N 287.378 3.510 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc[nH]c1CCC 421739898 FVJNHHYSQSWHPI-UHFFFAOYSA-N 288.416 3.857 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CN(CCC#N)Cc1ccccn1 191065579 IZCNJOMGAMRMRI-FUHWJXTLSA-N 283.419 3.790 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cc(C#N)cs1 92504583 SMIOCOWYTMIYIX-UHFFFAOYSA-N 293.395 3.680 30 20 CHED CC(C)CC(CC(C)C)N/C(O)=N/[C@@H]1CCOC(C)(C)C1 330420176 FIMFIFKPWLJSPB-CQSZACIVSA-N 298.471 3.908 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(C#N)s1 334831764 RQKNMOCMAGZINH-QFYYESIMSA-N 286.375 3.782 30 20 CHED C[C@@]1(CNc2ccc3cc(C#N)ccc3n2)CCCS1 92921641 IJYAXROJDUXCHX-INIZCTEOSA-N 283.400 3.804 30 20 CHED C[C@@H](CC#N)N(C)Cc1cccc(OC2CCCC2)c1 93090536 IGBMMVGDVFWPTD-AWEZNQCLSA-N 272.392 3.742 30 20 CHED C=C[C@H]1CCCCN1Cc1cc2cc(OC)ccc2o1 426541417 BHUNPKGUEXIWBY-AWEZNQCLSA-N 271.360 3.982 30 20 CHED CN(Cc1c(F)cccc1F)c1cccc(F)c1C#N 338782075 IENBPNJBFCBJLG-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 513316093 BERGSRAIERNIDA-LLVKDONJSA-N 290.794 3.910 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@]1(C)CC1(F)F 421458358 LKJHOSJQBMJECX-AWEZNQCLSA-N 271.351 3.627 30 20 CHED CC(C)COc1ccccc1CNc1cnccc1C#N 94149426 ZKBPNWXNJKPYCU-UHFFFAOYSA-N 281.359 3.600 30 20 CHED CC1CCC(CC(O)=Nc2nc3cccnc3[nH]2)CC1 330220943 LDFAAIALFCMULB-UHFFFAOYSA-N 272.352 3.762 30 20 CHED CSCCCCCNc1cc(C#N)cc(Cl)n1 235183808 YULCVPUOZLBFRJ-UHFFFAOYSA-N 269.801 3.552 30 20 CHED CCCC[C@@H](NC(=O)c1cc(C#N)oc1C)C1CCC1 331955294 JGLNHDGGMIDLJA-OAHLLOKOSA-N 274.364 3.548 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2n[nH]c(CCC3CCCC3)n2)C1 430101449 WUFJGFWIJFFBIO-CHWSQXEVSA-N 290.436 3.712 30 20 CHED N#CC1(c2nc(-c3ccc(O)c4ccccc34)no2)CCC1 436609212 IDOJENKRSSSQSR-UHFFFAOYSA-N 291.310 3.541 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCC(F)(F)C1 335074879 GWJZQKGEMOFAPY-RISCZKNCSA-N 292.329 3.513 30 20 CHED CC1(C#N)CCC(Nc2cc(C3CC3)ccn2)CC1 336229245 SYPDYPVUKKOWBX-UHFFFAOYSA-N 255.365 3.843 30 20 CHED C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@H](C)C#N 336130724 XDKXYVRKNMCARD-BDAKNGLRSA-N 297.185 3.599 30 20 CHED Cc1nnc(CSCc2ccc(C#N)cc2Cl)s1 438871566 GVNMFTSTRHTWEA-UHFFFAOYSA-N 295.820 3.805 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)c1ccc(C#N)cn1 340976063 TZNSOJWYMZQVHS-HNNXBMFYSA-N 281.359 3.549 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)Nc1nccc(C)c1C#N 343541213 SDXVIXLCUGAZFD-WBMJQRKESA-N 299.349 3.589 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc2c1OCC[C@H]2OC 344924298 IJOIBZLPETWGDL-RHSMWYFYSA-N 289.375 3.697 30 20 CHED C[C@@H]1CC(F)(F)CCN1CC#Cc1cccc(Cl)c1 528764651 BVKHEZDFNYYNOA-GFCCVEGCSA-N 283.749 3.811 30 20 CHED C[C@@H](NCc1cccc(C#N)n1)c1ccc2c(c1)CCCC2 602501275 DZHDKOWXUAFUCG-CQSZACIVSA-N 291.398 3.683 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 342002402 JYEJAIBJVISNHY-ZOBORPQBSA-N 273.376 3.541 30 20 CHED C=C(CNC(=O)Nc1nc(CC)cs1)c1ccccc1 349453648 POMLCGTVOGWEHZ-UHFFFAOYSA-N 287.388 3.540 30 20 CHED C=CCCCCCN(C)C(=O)CCOc1cccc(F)c1 606817000 NJIURSDOOVFYIC-UHFFFAOYSA-N 293.382 3.799 30 20 CHED C=CCC1(c2nc(-c3cc(C)oc3C)no2)CCC1 347146099 NPZHEKITEXTSJF-UHFFFAOYSA-N 258.321 3.944 30 20 CHED C[C@H](CC#N)N[C@@H]1CCCc2ccc(Br)cc21 602869498 OIKTZJDZJUYRGO-QMTHXVAHSA-N 293.208 3.718 30 20 CHED C=CCCCN(Cc1ccc(F)cc1F)C1CC1 605150126 VODOGEHKQUXHFK-UHFFFAOYSA-N 251.320 3.895 30 20 CHED N#Cc1ccc(/C=C\c2cnc(-c3ccco3)s2)nc1 340590851 ZBPFDUKWZDYJHH-WAYWQWQTSA-N 279.324 3.840 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)C(C)(C)c1ccccc1 522664193 LURFUZZTGGAKDO-KBPBESRZSA-N 274.408 3.617 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C#N)s2)c1OC 255902017 YHCZBILNEZVXGZ-VURMDHGXSA-N 299.351 3.533 30 20 CHED N#CC1(c2nc([C@@H]3Cc4ccc(F)cc43)no2)CCCCC1 601394181 QEEPPTUQQXESJK-CQSZACIVSA-N 297.333 3.622 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CCC[C@H](C2CC2)C1 602691086 BVWPFLGAZGXPMK-BHYGNILZSA-N 290.451 3.644 30 20 CHED N#Cc1ccc(/C=C\c2nc(-c3ccsc3)no2)cc1 609474055 GBDWHPHFRJTMFA-WAYWQWQTSA-N 279.324 3.840 30 20 CHED COc1ccc([C@H](NC[C@H](C)CCC#N)C2CC2)cc1 602502527 MAQOLNHQJNMUGT-CXAGYDPISA-N 272.392 3.676 30 20 CHED CCOCCCSCc1ccc(Cl)cc1C#N 358654086 IRQUAPGHWMSWJE-UHFFFAOYSA-N 269.797 3.871 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)cn2)CCCCC1 448733356 GAWQZIAVEFYARE-UHFFFAOYSA-N 262.328 3.686 30 20 CHED CC1(C)CCC(C(=O)N(CCC#N)Cc2ccco2)CC1 269101347 PBQCGLJVOABOEE-UHFFFAOYSA-N 288.391 3.738 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(Sc3ccccc3)CC2)C1 442772552 AZYNSWKOAKQADG-ZIAGYGMSSA-N 272.417 3.593 30 20 CHED C=CCCCC(=O)Nc1ccnc(Sc2ccccn2)c1 359179638 WKPDTBPZKFLNNH-UHFFFAOYSA-N 299.399 3.923 30 20 CHED C=CCCCCCN1CCC[C@H](C(C)(C)C(=O)OC)C1 618752377 UJZXLTPBSAFAAR-HNNXBMFYSA-N 281.440 3.644 30 20 CHED COCCC1(CNc2nccc(C)c2C#N)CCCCC1 359834752 IHQKWZYJTZBGMS-UHFFFAOYSA-N 287.407 3.661 30 20 CHED CC[C@@H](C)n1ncc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1C 357637155 PRVMCWGELLQYNN-SNVBAGLBSA-N 299.334 3.686 30 20 CHED COc1ccc2c(c1)CC[C@H](Nc1cccc(F)c1C#N)C2 612098359 POAPQCGCPQUSRF-AWEZNQCLSA-N 296.345 3.675 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)Cc1ccccc1C#N 535682438 ZTDKDXMTYQADOB-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=CCCCCCN(C)Cc1ccc(OC)c(OC)c1 537625525 KJODVKHIRINBRN-UHFFFAOYSA-N 277.408 3.882 30 20 CHED C=C(C)COCCN[C@H]1CCC[C@H]1c1ccc(C)cc1 537962410 XYQNABDWOJWBLM-ROUUACIJSA-N 273.420 3.813 30 20 CHED C=CCNC(=O)Nc1cccnc1Oc1cccc(C)c1C 615521359 UMORNEAHBSUGHX-UHFFFAOYSA-N 297.358 3.798 30 20 CHED CC(C)(C#N)CCCN1CCC(n2cc(Cl)cn2)CC1 367853917 NXYQUGSLMFYJNX-UHFFFAOYSA-N 294.830 3.503 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccccc1C(C)(C)C 539297846 TYNXYXGGPBRINV-GJZGRUSLSA-N 275.436 3.819 30 20 CHED CN(C(=O)NCC(C)(C)C#N)[C@H]1CCC[C@H]1c1ccccc1 458636087 BLJUJUDKFCJTBK-HOTGVXAUSA-N 299.418 3.514 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1cccc(C#N)c1 612469138 AMRBPCMGVYSETK-VWPFQQQWSA-N 299.418 3.743 30 20 CHED CC#CCCSc1nc(C2CC2)nn1-c1ccccc1 360533984 CSFQXMMQTMVDLC-UHFFFAOYSA-N 283.400 3.650 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(Cl)c2ncccc12 452779760 CJOAEWLKACBVEG-UHFFFAOYSA-N 288.778 3.830 30 20 CHED C=CC[C@@H](CC)NC(=O)CSCc1ccc(F)cc1 619607848 WRKVUYCERQNLEF-CQSZACIVSA-N 281.396 3.530 30 20 CHED Cc1cc(C)c2c(c1)CN(CC(C)(C)CCC#N)CC2 362528905 PCOWPIQFPJDKNK-UHFFFAOYSA-N 270.420 3.992 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(-c2ccccn2)cc1 362265594 IZJXWSHVINOXHC-CQSZACIVSA-N 296.370 3.668 30 20 CHED CCOC(=O)[C@H](CC(C)C)Sc1ccccc1C#N 542002107 IAVLMOIACROGKM-AWEZNQCLSA-N 277.389 3.628 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)c1ccc(CC#N)cc1 270387459 QFRNMPFWXJXFJW-AWEZNQCLSA-N 290.366 3.734 30 20 CHED CCOc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 271939579 OJYZLUIHBBOHJA-CYBMUJFWSA-N 298.361 3.947 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](C(C)C)C1 549702915 VYWRWHAKLRWNBI-GJZGRUSLSA-N 290.455 3.850 30 20 CHED CC(C)(CC#N)CNCc1cnc(-c2ccccc2)s1 459739757 ZCDBUCMWFNZQFY-UHFFFAOYSA-N 285.416 3.840 30 20 CHED CO[C@@]1(C)CCCN(c2ccc3cc(C#N)ccc3n2)CC1 366505722 PVKUAMMGYHTXQU-SFHVURJKSA-N 295.386 3.502 30 20 CHED COc1cc2c(cc1Cl)CN(c1ccc(C#N)cc1)CC2 549298072 IGWUDXLKTBSXCR-UHFFFAOYSA-N 298.773 3.783 30 20 CHED C=CCN(C(=O)Nc1cc(SC)ccc1C)C1CC1 272091093 XXHURRZRRLRUAP-UHFFFAOYSA-N 276.405 3.899 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1ccc(C)cc1 364310527 HZWGKKDHVQBUDZ-KRWDZBQOSA-N 269.388 3.852 30 20 CHED C=C(CC)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 542216582 XDOZPNVFDQHPCP-UHFFFAOYSA-N 275.226 3.959 30 20 CHED C=CC[C@@H](C)[C@H](C)NC1(c2ccc(OC)cc2)CC1 540723046 DHLZNPDKSGOEBB-KGLIPLIRSA-N 259.393 3.875 30 20 CHED C=C(CC)CNC(=O)c1sc2ccc(C#N)cc2c1C 456850094 PJETWOFPIAPSGI-UHFFFAOYSA-N 284.384 3.777 30 20 CHED CC1(C)CCC[C@H](NC(=O)Nc2cccc(CC#N)c2)C1 455900658 CQNFMQAWCDJBCF-HNNXBMFYSA-N 285.391 3.843 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc2ccccc2o1 453336914 GECFYIYPAKMXAE-CFVMTHIKSA-N 271.360 3.817 30 20 CHED N#CCCCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 273002012 HQPGRZNLEMRUDW-STQMWFEESA-N 297.185 3.517 30 20 CHED Cc1ccccc1CCN[C@@H](C)c1ccc(C#N)c(F)c1 540705503 KZLVNEIFHNQLLQ-AWEZNQCLSA-N 282.362 3.899 30 20 CHED CCC[C@H](CCc1ccccc1)N=c1ccc(C#N)c[nH]1 462877264 HEJBGBUCZTUMSH-QGZVFWFLSA-N 279.387 3.589 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(C)(C)[C@H]1C1CC1 460662647 OWHJSTQJBVQJQN-GXTWGEPZSA-N 264.413 3.561 30 20 CHED N#Cc1cccc(Cl)c1N1CCO[C@H](c2ccccc2)C1 462917553 VGDWFFRDJZWBIK-INIZCTEOSA-N 298.773 3.790 30 20 CHED CC[C@H](C(=O)Nc1ccccc1C#N)c1ccc(OC)cc1 463071600 WZKKXNHYAJMRFR-INIZCTEOSA-N 294.354 3.699 30 20 CHED CC(C)C1CCC(NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 462237431 KTDTZHTZVYCQMB-MXWWQKGMSA-N 298.430 3.993 30 20 CHED C=CCN(CC=C)C(=O)NCCCCC1CCCC1 466584295 CCDLOEMNFAPEGM-UHFFFAOYSA-N 264.413 3.731 30 20 CHED CCC(CC)(CC)NC(=O)[C@@H](C)c1cccc(C#N)c1 464052846 KZTRYSABOVTTOG-ZDUSSCGKSA-N 272.392 3.747 30 20 CHED C#CCCCCNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 286933961 GXNMMENUAONOJT-NVXWUHKLSA-N 284.403 3.583 30 20 CHED C=C(C)CN1CCC(N[C@H](c2cccnc2)C2CCC2)CC1 280895561 PJNILPYWNJCQBL-IBGZPJMESA-N 299.462 3.553 30 20 CHED CC1(C)CCCc2cc(C#N)c(N[C@@H]3CC[C@H](F)C3)nc21 554684997 MEGMTHFZAGRYRL-UONOGXRCSA-N 287.382 3.870 30 20 CHED COc1cccc([C@H]2C[C@H](C)CN2c2ncccc2C#N)c1 373282990 ZKXUQBQOGXMWPP-SUMWQHHRSA-N 293.370 3.549 30 20 CHED N#CCC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 375968069 HSHIRXJUNJBGLF-GJZGRUSLSA-N 290.794 3.786 30 20 CHED C=CCCN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 466643534 XPACUWQWRDBHMM-UHFFFAOYSA-N 279.383 3.931 30 20 CHED C=C(C)CCc1noc([C@@H]2CCCc3c(O)cccc32)n1 289079218 JMTPTBRKKGFHQA-CQSZACIVSA-N 284.359 3.752 30 20 CHED C=CCN(CCCC1CCOCC1)Cc1ccccc1 463280608 DTARAOQXVJHUGD-UHFFFAOYSA-N 273.420 3.881 30 20 CHED C[C@](C#N)(NC(=O)CCC1CCC1)C1CCCCC1 550743214 DTTDAMLVWBXGPQ-MRXNPFEDSA-N 262.397 3.545 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)C[C@@H]1CC 460369416 LRDJGXSTJVBUDU-KFWWJZLASA-N 290.455 3.993 30 20 CHED Clc1cccc(C#CCN2CCC[C@H]2c2cccnc2)c1 558102734 GAJWWYSYNVQTLG-SFHVURJKSA-N 296.801 3.924 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 464759229 WRMXHFHQJLFYLN-UOVKNHIHSA-N 292.810 3.911 30 20 CHED C=CCN(CC=C)C(=O)NCc1cc2ccccc2s1 555812906 ROCGIQVEUSXRNT-UHFFFAOYSA-N 286.400 3.785 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 466390780 DKDLWSNBZAIYQC-PVAVHDDUSA-N 286.419 3.929 30 20 CHED C[C@@H](CCC1CC1)N[C@H](C)c1ccc(C#N)c(F)c1 469808013 JPDCSDXZRSWGAT-NWDGAFQWSA-N 260.356 3.927 30 20 CHED CC(C)CC[C@H]1CCCCN1c1ccnc(C#N)c1 550388584 VEZFJIDQOMEBNJ-OAHLLOKOSA-N 257.381 3.748 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cccc(O)n1 282430913 HSOTVUICJKSHIQ-CYBMUJFWSA-N 278.396 3.514 30 20 CHED C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H]1C 460372241 DKZZJXAFLLBUDL-OAHLLOKOSA-N 296.418 3.818 30 20 CHED N#Cc1ccccc1CSCCN[C@H]1CC[C@@H]1C1CC1 554349220 QXLGTNVLQXOMEA-SJORKVTESA-N 286.444 3.570 30 20 CHED C=CCN(CCc1cscn1)Cc1ccccc1F 284436879 YZOJZPRTOFCTRT-UHFFFAOYSA-N 276.380 3.513 30 20 CHED N#Cc1cc(N[C@H]2CC23CCOCC3)ccc1C(F)(F)F 387221193 ZQFGQHHNJXAJFP-ZDUSSCGKSA-N 296.292 3.558 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 472532711 KAASDUXANXLQCI-DUVNUKRYSA-N 290.382 3.726 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccco1 471476120 MYSOEKBQFVMSTF-UHFFFAOYSA-N 284.359 3.568 30 20 CHED C=CCC[C@@H](NCc1n[nH]c(C(C)C)n1)c1ccccc1 293181450 NVIXJCFPFNXSDR-OAHLLOKOSA-N 284.407 3.725 30 20 CHED N#CCCCC(=O)Nc1cccc(C2SCCS2)c1 290885016 CHVZZJOEFAGWPF-UHFFFAOYSA-N 292.429 3.798 30 20 CHED CC[C@H](C#N)NC(=O)c1cc(C)c(-c2ccccc2)s1 568644600 OFAARAVPQJBOBD-CYBMUJFWSA-N 284.384 3.756 30 20 CHED C=CCCCCNC(=O)N1CCc2c(Cl)cccc21 474093983 HXDVZLHLXUHJDQ-UHFFFAOYSA-N 278.783 3.768 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1cccc(C#N)c1 474083452 WGWLXILZNFRJCO-DZGCQCFKSA-N 256.349 3.713 30 20 CHED C=C(CNC(=O)/C=C\c1ccccc1F)c1ccccc1 805250501 FLDLLJNLRLVTMZ-QXMHVHEDSA-N 281.330 3.669 30 20 CHED Cc1ccc(OC2CCN([C@@H](C)CCC#N)CC2)cc1 299376747 SHMOZWDEGHFNOC-HNNXBMFYSA-N 272.392 3.531 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)OCCCSCC#N 805455058 CYQKKLGBAHMGGT-CQSZACIVSA-N 291.416 3.679 30 20 CHED C[C@H](c1noc(Cc2c(F)cccc2C#N)n1)C(C)(C)C 561898021 GORIXFKWTMAAFQ-SNVBAGLBSA-N 287.338 3.821 30 20 CHED C=C(Cl)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 298456347 HTIXBDIQWKNUEB-OLZOCXBDSA-N 290.165 3.651 30 20 CHED C=CCN(CCSC(C)(C)C)CCc1ccco1 801939725 QUOVPLLEBBJBAB-UHFFFAOYSA-N 267.438 3.842 30 20 CHED C=C(C)CNC(c1ccc(OC)cc1)c1ccc(OC)cc1 642327949 SDORVAHWPYWRMK-UHFFFAOYSA-N 297.398 3.959 30 20 CHED C[C@@H](CCC#N)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 298142704 OHVLZGQOFSMAEF-NHYWBVRUSA-N 296.773 3.545 30 20 CHED N#Cc1ncccc1N1CCCC2(CCCCCC2)C1 567290576 HZXNETXOLFYCRF-UHFFFAOYSA-N 269.392 3.894 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(Cl)c2ncccc12 802218536 DYTMOCHARCXNGW-JTQLQIEISA-N 288.734 3.737 30 20 CHED C=CCCCCCCNC(=O)/C=C/c1scnc1C 805219946 BPVLMZRYSIWVJY-MDZDMXLPSA-N 278.421 3.717 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]2F)c(C(F)(F)F)c1 561009272 LTMLBVOQMKTYJL-CMPLNLGQSA-N 272.245 3.880 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccc2ccccc2n1 487485813 OJWJENDORFMETE-KRWDZBQOSA-N 294.398 3.735 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccnc1-c1ccccc1 815874012 XMUAWDIVFYQUOG-UHFFFAOYSA-N 288.297 3.899 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC[C@H]1CCCCO1 482911938 UEDGNAKKFHUHTA-QGZVFWFLSA-N 293.451 3.931 30 20 CHED Cc1nc(Oc2ccc(C=O)cc2F)c(Cl)cc1C#N 812462300 LOKILILESYIGIE-UHFFFAOYSA-N 290.681 3.659 30 20 CHED Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 564431265 BKMHTSIXLWNEEP-SFHVURJKSA-N 262.356 3.644 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCC(CCC#N)CC1 566273888 GNHKLMKBKIRSLA-AWEZNQCLSA-N 278.440 3.991 30 20 CHED C=CCCCCCCCN[C@@H](C)c1c[nH]ccc1=N 817932798 WZHGSAIQJRCEQY-AWEZNQCLSA-N 261.413 3.671 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1csnn1 814934753 GHJRTPWIRQVAIK-UHFFFAOYSA-N 274.393 3.806 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2Cl)cc1O 811699379 SQFABRALHUILSQ-VURMDHGXSA-N 288.730 3.950 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 819937301 CSGKAAIBAZUNDY-HZSPNIEDSA-N 295.386 3.576 30 20 CHED C=CCC(F)(F)C(=O)N(CC)Cc1c[nH]c2ccccc12 816367456 LAUNSJXAFPAVHL-UHFFFAOYSA-N 292.329 3.728 30 20 CHED CC(=NOC/C=C/Cl)c1cc(F)c(F)c(F)c1 811671310 CSQBUJBGKFXBIV-LRNCVKPZSA-N 263.646 3.597 30 20 CHED N#Cc1ccc(CNCC(F)(F)c2ccccc2)s1 570438510 FJFUIHLANXCZDQ-UHFFFAOYSA-N 278.327 3.501 30 20 CHED CCCN(C(=O)Nc1cc(C#N)ccc1C)C(C)C 576356902 IGOFNOLQFQJQPA-UHFFFAOYSA-N 259.353 3.519 30 20 CHED CSc1cc(C(=O)[C@@H](C#N)c2nc(C)cs2)c(C)o1 659010673 VRIOUPXCAHOOEL-SNVBAGLBSA-N 292.385 3.565 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 488928100 ZYSQCNVYKALXMS-QLFBSQMISA-N 284.403 3.784 30 20 CHED Cc1cccc2ncnc(Sc3ccc(C#N)cc3)c12 484832978 WRNNUXCEUDNIKI-UHFFFAOYSA-N 277.352 3.961 30 20 CHED N#Cc1ccc(COc2cc(F)c(Cl)cc2C=O)cc1 814784425 NAXVBIJKPDVWRQ-UHFFFAOYSA-N 289.693 3.742 30 20 CHED CC(=NOCc1ccc(C(F)(F)F)cc1)c1c[nH]nc1C 814882254 LQQSYYWSGITXOS-UHFFFAOYSA-N 297.280 3.678 30 20 CHED C=CCn1c(SCSC)nnc1-c1ccc(F)cc1 814728895 PWTCOBFSBSRONO-UHFFFAOYSA-N 295.408 3.683 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(OC)ccc1Cl 488356547 YYGVJEQUFDRFEL-NSHDSACASA-N 294.782 3.921 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@@H](CCCCC)c1ccccc1 810341363 GHKUUEZXULIGMR-WMZOPIPTSA-N 289.419 3.751 30 20 CHED c1ccc(C[C@H]2CCC(=NO[C@H]3CCCCO3)C2)cc1 814888098 PRLJLOHAVKYMJB-WBVHZDCISA-N 273.376 3.928 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 575011410 LPNDYRSZFXWAAG-VYCZESIESA-N 296.414 3.626 30 20 CHED c1ccc(NN=C2CCCOc3ccccc32)cc1 728430100 NNTZVUAJLILRNP-UHFFFAOYSA-N 252.317 3.675 30 20 CHED N#Cc1cccnc1/C=C\c1cccc(Br)c1 485976294 LHCKFBQYDBUIFP-SREVYHEPSA-N 285.144 3.886 30 20 CHED C(=NNC1CCCC1)c1cccc(OC2CCCC2)c1 727651485 AOHLQXBMYGUOIA-UHFFFAOYSA-N 272.392 3.874 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccc(Cl)cn1 571294735 DEISFEMJLQGKRY-UHFFFAOYSA-N 283.762 3.559 30 20 CHED CC[C@H](Cc1ccccc1)/N=C/c1cccc(OC)c1O 727781065 CHHHBILDBXPWQG-CXDFQFJYSA-N 283.371 3.841 30 20 CHED C[C@H](CNCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 728713186 STXNUPBHGRJXLZ-HZPDHXFCSA-N 294.398 3.871 30 20 CHED C#CCCOC(=O)c1ccc(-c2ccc(F)cc2)s1 727041470 ROPXWEAPGATIJO-UHFFFAOYSA-N 274.316 3.734 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1F 729151820 YBLMCACTUAMFSS-ZZXKWVIFSA-N 274.266 3.875 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)COC 667302057 BTJPYLYEPVFVGG-LBPRGKRZSA-N 296.798 3.703 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNCCCOc2ccccc2)o1 729147421 AQWWYHXWVYBHMM-PBHICJAKSA-N 298.386 3.796 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@@H](F)C2)c(C(F)(F)F)c1 584045498 RILGYIBNFWTCBW-ZJUUUORDSA-N 272.245 3.880 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)c1ncc(-c2ccccc2)o1 583639821 SCEQQQGFPZLDHL-JSGCOSHPSA-N 269.348 3.684 30 20 CHED Cc1ccncc1[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 589342231 WHSKTNVNJPKXOG-SCLBCKFNSA-N 277.371 3.600 30 20 CHED CC(C)(C#N)CCCOc1c(F)cc(F)cc1[N+](=O)[O-] 902696965 NKLFRGOTDGGLCW-UHFFFAOYSA-N 284.262 3.582 30 20 CHED CC#CCCNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 497670006 FIBIIJSFBUBXRQ-UHFFFAOYSA-N 290.366 3.793 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1cc(Cl)ccc1O 903101555 IXEHNEHHDFGBPI-GFCCVEGCSA-N 266.772 3.636 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2c3ccccc3O[C@@H]2C)c1C#N 583166580 YYHBURBQLJILRR-BMIGLBTASA-N 299.761 3.849 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1cc(C#N)cs1 589205754 IBJJGDILOMZJCX-OAHLLOKOSA-N 271.389 3.598 30 20 CHED C[C@H]1/C(=C/c2ccc(OCC3CC3)cc2)C(=O)c2nccn21 901564781 HMQIJHSKERSRTR-KPENOIPVSA-N 294.354 3.513 30 20 CHED CC(C)(C#N)CN[C@H]1C[C@@H](c2ccccc2)C1(C)C 903100509 QPIJKJCKHUWXTI-GJZGRUSLSA-N 256.393 3.708 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(F)c(C(C)=O)c1 667067968 FXVOVAHWDABXQJ-UHFFFAOYSA-N 292.354 3.895 30 20 CHED Cc1cc(C=NN[C@H](C)C(F)(F)F)c(C)n1CC(C)C 834996536 SWGREUKPGUUFJB-GFCCVEGCSA-N 289.345 3.635 30 20 CHED CC#CC(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 837099582 HKDUATCEBMPLJB-ZFWWWQNUSA-N 275.779 3.506 30 20 CHED Cc1cnc(C=NN[C@H](C)c2ccc(C(C)C)cc2)o1 834943166 VCAHPHFGGLZXRF-CYBMUJFWSA-N 271.364 3.791 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H]1c1ccccc1 588269291 ODJHUMYNFHXZCW-INIZCTEOSA-N 270.376 3.824 30 20 CHED CC[C@H](CC#N)OC(=O)[C@H]1CCC[C@@H]1c1ccccc1 835340273 MBPLEZKOBKXSTJ-OAGGEKHMSA-N 271.360 3.806 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H](C)CCC)C(C)C)c1 733103694 IXSXCAMXWZVHGF-AWEZNQCLSA-N 257.377 3.846 30 20 CHED C=CCCNC(=O)N1CCC[C@H]1c1c(C)cccc1C 661565800 UQEALOLAUYSJKW-HNNXBMFYSA-N 272.392 3.726 30 20 CHED C=CC[C@H](NC(=O)N1CC(CC)(CC)C1)c1ccncc1 838477624 QOKPEYABBSZGGQ-HNNXBMFYSA-N 287.407 3.530 30 20 CHED Cc1noc([C@@H](C)ON=Cc2ccc(C(C)(C)C)cc2)n1 736296569 HFAVEFCQMUBTJK-LLVKDONJSA-N 287.363 3.787 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839448415 ILOMTDWUFZJVBS-JSGCOSHPSA-N 284.359 3.507 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(NC(=O)O)cc1 833371816 WZMFOFBTRPJABH-UHFFFAOYSA-N 289.331 3.588 30 20 CHED COc1ccc(CCNN=C2CCCCCC2)cc1 737439802 IRULPMWVQWISDV-UHFFFAOYSA-N 260.381 3.538 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cs1 908661549 TVNYLGAKONHYOI-NSHDSACASA-N 297.807 3.541 30 20 CHED C#CCCCCCC(=O)OC[C@@]1(C)CC1(Cl)Cl 837621756 NOGXRQJLUKFTHQ-GFCCVEGCSA-N 277.191 3.697 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](Cc2ccccc2)C2CC2)c1 736430791 HWZKRHOVBVIRBV-YNGKYYQNSA-N 295.382 3.841 30 20 CHED C[C@@H]1/C(=C\c2cccc(C#N)c2)C(=O)c2c(O)ccc(F)c21 834803524 VTCIBRVEQRSGOP-SEEODLKFSA-N 293.297 3.786 30 20 CHED Cc1ccc(CCC(=O)N[C@@](C)(C#N)C(C)C)cc1Cl 585720909 BKDMVEBOBRRJOT-INIZCTEOSA-N 292.810 3.636 30 20 CHED Cc1ccc(C[C@H](C)C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839049601 HMHJOWSDCRAXJF-UAGQMJEPSA-N 285.387 3.799 30 20 CHED C1CCC2(CC1)CCCC2=NN[C@@H]1CCSC1 834978693 BRGATPKCXFUQHE-GFCCVEGCSA-N 252.427 3.572 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C(=O)O)cc2)cc(C)c1O 832881078 KRWGROBSBQEQMW-FPYGCLRLSA-N 296.322 3.603 30 20 CHED C=C(Br)CN1CCC[C@@](C)(c2ccccc2)C1 733614752 ZAAGFYRHAOFRFW-OAHLLOKOSA-N 294.236 3.949 30 20 CHED CC(=NNc1cc(C)ncn1)c1ccc(OCC(C)C)cc1 731935922 VTARDDUFMLYESF-UHFFFAOYSA-N 298.390 3.656 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCC#CC(C)(C)C 835390281 LNSNUCUAFXDZRH-JTQLQIEISA-N 264.287 3.558 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCCCC2CCC2)cc1 598218675 NUTXMQVLBYJKHC-UHFFFAOYSA-N 284.403 3.798 30 20 CHED CC(C)Cn1nccc1CN(C)[C@H](C)c1cccc(C#N)c1 592516636 ROZQOFOFCIBGLO-OAHLLOKOSA-N 296.418 3.604 30 20 CHED Cc1cccc(CC2CN(CC(C)(C)CCC#N)C2)c1 590967177 COUNIWIBDFNFDL-UHFFFAOYSA-N 270.420 3.799 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2c(C#N)cnn2C)c2ccccc21 599156659 HJDUCZPNJMAMMM-HOTGVXAUSA-N 280.375 3.588 30 20 CHED C[C@@H](NN=Cc1c[nH]c2ccc(F)cc12)c1ccccc1 747049806 VWNCYRVSAWZXSN-GFCCVEGCSA-N 281.334 3.992 30 20 CHED N#Cc1ccc(N(C(=O)CCc2ccoc2)C2CCC2)cc1 598887089 OPIDYNOLAWLKDC-UHFFFAOYSA-N 294.354 3.670 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 596910894 KQWQJVRMMPYACO-GFCCVEGCSA-N 287.338 3.517 30 20 CHED COc1ccc(OCC2(CC#N)CC2)c2ccccc12 596261996 VOJXDUIIKRMPHW-UHFFFAOYSA-N 267.328 3.921 30 20 CHED CCCc1ccc(CCCC(=O)N[C@@H](C#N)C(C)C)cc1 592613969 DWTHWICNKCGSMN-KRWDZBQOSA-N 286.419 3.626 30 20 CHED C=CCCSCCNC(=O)N(C1CC1)[C@H](C)C(C)C 596718161 XKXDNOBWNCDFFR-CYBMUJFWSA-N 284.469 3.514 30 20 CHED FCCCCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 671678331 RGDZCTIMNCEWDE-IUCAKERBSA-N 295.242 3.799 30 20 CHED CCCCc1ccc(C(=O)OCCCCC#N)cc1 914619535 BRLVIGOZVUEHDY-UHFFFAOYSA-N 259.349 3.880 30 20 CHED C=CCN(Cc1cc(=O)oc2c(C)c(C)ccc12)C(C)C 917166798 HLOHDQOYOIPDIV-UHFFFAOYSA-N 285.387 3.806 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1NC(=O)CC1(C#N)CCCCC1 597296351 LJWFTMXYXBTLTC-SJLPKXTDSA-N 296.414 3.697 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2C(=O)C1(C#N)CCCC1 749804991 JCJDBNRJUILIDI-UHFFFAOYSA-N 296.414 3.957 30 20 CHED C=CCCSCCNCc1coc(-c2ccccc2)n1 594959789 DUONRMXGCLJDTE-UHFFFAOYSA-N 288.416 3.741 30 20 CHED C#C[C@@H](OC(=O)[C@@H](CC)OC1CCCC1)c1ccccc1 842389260 DIJHBECKHRWYGK-IAGOWNOFSA-N 286.371 3.642 30 20 CHED C[C@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)c2nccn21 590723729 OLSIGKVJICXJTP-WCQYABFASA-N 295.390 3.565 30 20 CHED CC[C@@H]1CCCC[C@H]1/N=C/c1cccc(OC)c1O 915113238 RYMSQZVYNVQMEU-JQWWKUHOSA-N 261.365 3.789 30 20 CHED N#CCCOc1ccc(-c2cccc3c2OCCCO3)cc1 596641155 MJIMTPXZFAEFRT-UHFFFAOYSA-N 295.338 3.807 30 20 CHED CCCCCCCCC(=O)N1CCC([C@H](C)CO)CC1 846480159 SLIRLXBBFMTSJK-OAHLLOKOSA-N 283.456 3.604 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cccc(C(C)(C)C)c1 847398461 BELMORNKXKOQFC-UHFFFAOYSA-N 286.419 3.996 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1ccc2c(c1)COC2 742435823 ZGLPFJNFWKLXRX-MKMNVTDBSA-N 296.297 3.515 30 20 CHED CC[C@@H](C#N)C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 593745430 ZOJYJGNQUYOKQV-DZGCQCFKSA-N 270.376 3.536 30 20 CHED CC(C)(C#N)CCCn1ccc(OCc2ccccc2)n1 596295520 VSJHOWKUGOMJRW-UHFFFAOYSA-N 283.375 3.792 30 20 CHED CC(C)CSCCCOc1cccc(OCC#N)c1 842108175 GYQVXAFUANZDAR-UHFFFAOYSA-N 279.405 3.747 30 20 CHED C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(C2CC2)c1 598619895 XZEDYYWZHYERMD-SUMWQHHRSA-N 286.419 3.515 30 20 CHED C=C(C)CCNc1cc2c(cc1OCC)C[C@H](C)O2 685198805 JBZIZJYEROFCMN-LBPRGKRZSA-N 261.365 3.787 30 20 CHED C=CCN(CC=C)C(=O)/C=C/c1cc(C)c(C)cc1C 915279320 XDFMPJAKLBKKKD-CMDGGOBGSA-N 269.388 3.826 30 20 CHED COCCCOc1ccc(-c2ccc(CC#N)s2)cc1 596644442 GXMHSYGULXNNLJ-UHFFFAOYSA-N 287.384 3.896 30 20 CHED CCc1nc2ccc(NC(=O)C3(C#N)CCCC3)cc2s1 592684789 QQQAXIRFYTWYLM-UHFFFAOYSA-N 299.399 3.881 30 20 CHED CCN(C(=O)c1csc2cc(C)ccc12)[C@H](C)C#N 598362246 BERSGNXOBVEZBP-LLVKDONJSA-N 272.373 3.584 30 20 CHED COc1ccccc1NC(=S)NN=C(C)CCC(C)C 915924812 BUBWLNFVBNXHHU-UHFFFAOYSA-N 293.436 3.794 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1cccc(Cl)c1 741767021 ZLFWDZMGSPDIPF-UHFFFAOYSA-N 295.173 3.928 30 20 CHED COc1ccc(O)c([C@H](C)NC2CCC(C)(C#N)CC2)c1 845970812 CGKYQKCHSXHMPC-POZPTJLLSA-N 288.391 3.524 30 20 CHED C=CCCSCCNC(=O)CC[C@@H](C)c1ccccc1 597968647 LJNJOJYIPSBDOE-OAHLLOKOSA-N 291.460 3.996 30 20 CHED C=CCN(C(=O)C[C@H](CC#N)c1ccccc1)C(C)(C)C 598871178 KNZHOGUFSOVYNM-INIZCTEOSA-N 284.403 3.887 30 20 CHED CCC[C@H]1CCc2nc(NC(=O)[C@H](C#N)CC)sc2C1 593444446 PSDCUYOQBNZVQB-QWRGUYRKSA-N 291.420 3.536 30 20 CHED C=CCN(CCOC)[C@H](C)c1ccc(Br)cc1 683040533 AYOBAJOAYGPLCC-GFCCVEGCSA-N 298.224 3.645 30 20 CHED CC(CCCCC#N)=NNCc1cccc2cccnc12 841618318 SBCWIMQILXPOOB-UHFFFAOYSA-N 280.375 3.784 30 20 CHED CC(C)(NC(=O)/C=C\c1ccccc1C#N)c1ccccc1 921154691 AEYVXZLGFDZTMA-SEYXRHQNSA-N 290.366 3.623 30 20 CHED CCSCCCc1noc(-c2cc(C#N)ccc2C)n1 924038203 XYTIFNZZFWEZFX-UHFFFAOYSA-N 287.388 3.602 30 20 CHED CC(=NNc1ncccc1[N+](=O)[O-])c1cc(C)c(C)cc1C 759206591 NYCXIBHOKFVHNQ-UHFFFAOYSA-N 298.346 3.751 30 20 CHED C#CC[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1 757003906 RGWYIXFWCXDDAF-XIRDDKMYSA-N 284.403 3.629 30 20 CHED CO[C@@H](C#N)c1ccc(-c2cnc(SC)cc2C)cc1 854196494 AZSNAWOAHHTHKN-HNNXBMFYSA-N 284.384 3.990 30 20 CHED C[C@@H](COc1ccc(F)cc1F)N[C@H](C)CC(C)(C)C#N 924767333 AKTAPDMEJPMNSP-NEPJUHHUSA-N 296.361 3.650 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H](CC#N)C1 852226279 HCKLPWIRMWBOFS-HNNXBMFYSA-N 279.428 3.682 30 20 CHED C/C(=C/C(=O)N(C1CC1)[C@H](C)C#N)c1cccc(Cl)c1 855582829 PAVNZMGCWTWTEH-NXIHDVOMSA-N 288.778 3.646 30 20 CHED CC1(C)C[C@@H](/N=C\c2c(O)ccc3ccccc23)CCO1 753885756 XRPGVSICFWJFTG-YQNUULROSA-N 283.371 3.922 30 20 CHED Fc1c(C=NNC2CCCCC2)cccc1OC1CC1 853337259 YJHNGBZRIHVDBC-UHFFFAOYSA-N 276.355 3.623 30 20 CHED CC(=NN=C[C@H]1CCC[C@H](C(F)(F)F)C1)c1cnccn1 853315633 VDBVKZJSGHGAKU-RYUDHWBXSA-N 298.312 3.640 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)N(C)c1ccccc1C#N 752819842 QHCTTZLCUMXGDU-CYBMUJFWSA-N 296.345 3.539 30 20 CHED N#CC[C@@H](CC(=O)OC/C=C/C(F)(F)F)c1ccccc1 851290430 OFZAOOYJBBGTMF-GBVBUYCNSA-N 297.276 3.736 30 20 CHED C#CC[C@@H](NC(=O)C=C(CC)CC)c1ccccc1 757600930 VABAWNBQRZWZRA-MRXNPFEDSA-N 255.361 3.614 30 20 CHED CC(C)c1cccc(C=NN[C@@H]2CCOC(C)(C)C2)c1 853336362 WZCRULULUDTMBN-MRXNPFEDSA-N 274.408 3.691 30 20 CHED C[C@H](C#N)CNCc1ccc(OCc2ccccc2F)cc1 757906169 IYXJZUVLEDJWPE-CQSZACIVSA-N 298.361 3.654 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccsc1Cl 853135473 ZBCWZEIUTYODLP-QMMMGPOBSA-N 271.769 3.887 30 20 CHED Cc1c(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)cccc1[N+](=O)[O-] 755698545 RVABBRXDQMHWPD-RWMBFGLXSA-N 271.320 3.513 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 49262511 OSVZXOCFIHXKBK-ZYHUDNBSSA-N 291.782 3.912 30 20 CHED C=C(C)CCOC(=O)C[C@H](C)c1ccc(F)cc1F 752510022 WWEPWFWJFGBPIV-NSHDSACASA-N 268.303 3.968 30 20 CHED Oc1c(C=NOCC(F)F)cc(Cl)c2ccccc12 758907133 PSKOKKNOUIBGNF-UHFFFAOYSA-N 285.677 3.814 30 20 CHED FC(F)(F)c1ccccc1ON=Cc1cnc(C2CC2)o1 863103926 OEWOJCCPMONWJH-UHFFFAOYSA-N 296.248 3.984 30 20 CHED CCCCCCCNC(=O)c1ccc(SC)o1 862360040 UZFBIVIRSZXMGW-UHFFFAOYSA-N 255.383 3.702 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](F)c2ccccc2)c1 769367870 GIUDBPBLAAHUOP-QGZVFWFLSA-N 281.330 3.732 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 936029385 AUPSLSGGKGCYFV-KXBFYZLASA-N 299.414 3.585 30 20 CHED CCN(C[C@H](O)c1ccc(C#N)cc1)c1cccc(C)c1C 763503301 ZVVRFQUKNCEGSS-IBGZPJMESA-N 294.398 3.735 30 20 CHED CC(=NNc1c(F)cccc1Cl)[C@H]1CCCOC1 769826255 CIPDTMXNUYRSHS-JTQLQIEISA-N 270.735 3.694 30 20 CHED COc1ccsc1C=NNc1ccc(Cl)cc1 764642559 YNOZMEZNWJJZJL-UHFFFAOYSA-N 266.753 3.856 30 20 CHED N#CCOc1ccc(COc2cc(Cl)ccc2C#N)cc1 761852758 JRUVRUALNMHZTI-UHFFFAOYSA-N 298.729 3.693 30 20 CHED CCCC(=NNC[C@@H](C)C#N)c1cc(C)sc1C 863104084 SMCZLOQUVPHPOC-JTQLQIEISA-N 263.410 3.618 30 20 CHED C=CCCC(=O)COC(=O)c1ccccc1C(C)(C)C 761426998 JQPDEWBHEVPGBV-UHFFFAOYSA-N 274.360 3.676 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C[C@H]1CCCC[C@H]1C 767160203 POCFNJCFAUBTDL-CHWSQXEVSA-N 289.341 3.617 30 20 CHED C=CCCC[C@H](C)Nc1nc(C(C)(C)OC)ns1 865659416 KCWVSUKNIJSGOG-JTQLQIEISA-N 269.414 3.576 30 20 CHED CC#CC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 764343791 RBEPMNHHNGBTEV-HNNXBMFYSA-N 289.787 3.630 30 20 CHED C#CCN(C(=O)[C@H](C)c1c(Cl)cccc1Cl)C1CC1 763801058 CBWGMXLPEXMDNO-SNVBAGLBSA-N 296.197 3.721 30 20 CHED C#CCN(CC)Cc1cc(-c2ccccc2)ccc1O 769107224 UTGVFSLFDUJRIJ-UHFFFAOYSA-N 265.356 3.514 30 20 CHED CCOC(=O)[C@@H]1CCC(=NOCc2ccccc2)[C@@H](C)C1 761253829 LDAIGDCYZXCQOK-DZGCQCFKSA-N 289.375 3.559 30 20 CHED CCCCc1nnc(S)n1N=C[C@@H]1CCC[C@H](C)C1 768351351 FPLMRNDDFQXTLB-NWDGAFQWSA-N 280.441 3.570 30 20 CHED Fc1cc(Cl)c(NN=CC[C@H]2CCOC2)c(Cl)c1 767909633 LSBGELORANVQGO-QMMMGPOBSA-N 291.153 3.957 30 20 CHED C[C@H]1CSC(SCCCCC(C)(C)C#N)=N1 767059594 UGHRAJVZYISMSV-JTQLQIEISA-N 256.440 3.931 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1cc2ccccc2o1 767825796 YPEWMIGEXNAGAS-UHFFFAOYSA-N 297.358 3.839 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccc(OC(F)F)cc1 766445941 BFFZJCFPBBQGPB-CYBMUJFWSA-N 284.306 3.645 30 20 CHED CCCCCC[C@H](C)C(=O)Nc1cc(CC#N)ccn1 763915877 VKLFIHIDJFNZJT-ZDUSSCGKSA-N 273.380 3.693 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 770060420 VNJLAHGIMALDCA-ZDUSSCGKSA-N 290.366 3.743 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1sccc1O 773147955 FEYJNLFWNOWXFG-HWKANZROSA-N 262.305 3.797 30 20 CHED N#CCc1cccc(NCc2coc3ccccc23)n1 771754454 WQDSQFHNFNWCKF-UHFFFAOYSA-N 263.300 3.506 30 20 CHED CCCCCCCCC(=O)N(C)C[C@@H]1CCCC[C@@H]1O 778504066 KAQNGVGIHSRWJI-HOTGVXAUSA-N 283.456 3.747 30 20 CHED CCCCCCCCOC(=O)[C@H]1CCO[C@@H](C)C1 776422232 XXGMXOMCQCBJIO-KBPBESRZSA-N 256.386 3.705 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)CC1 888357450 GWFAFWAGLIFWDC-GFCCVEGCSA-N 289.354 3.741 30 20 CHED N#CC[C@@H](OC(=O)C1(Cc2ccccc2)CC1)c1ccco1 1123369475 NYNWGPNFKCTMFI-MRXNPFEDSA-N 295.338 3.800 30 20 CHED C=CCC[C@H](C(=O)OCC(=O)C(C)C)c1ccccc1 778552851 RBPGOKJUXYSLHZ-HNNXBMFYSA-N 274.360 3.505 30 20 CHED C#CCCCCC(=O)Oc1ccc(C)cc1Br 773760058 BIRNYRNIGJLGNE-UHFFFAOYSA-N 295.176 3.857 30 20 CHED C=C(C)CCC(=O)N(CC1CCC1)CC(F)(F)F 1120704560 DFHGYSGPQKZDCD-UHFFFAOYSA-N 263.303 3.534 30 20 CHED CC(C)N(CCOC(C)(C)C)Cc1ccc(C#N)cc1 63750325 NOQGHBAXBILVCX-UHFFFAOYSA-N 274.408 3.584 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@@H]1C1CCC1 1122548504 JWMUADJKPBYROI-GFCCVEGCSA-N 296.365 3.561 30 20 CHED C#CCOc1ccccc1OCc1ccc(C#N)cc1Cl 783985282 AWUIQPOJROQGRB-UHFFFAOYSA-N 297.741 3.803 30 20 CHED C[C@@H](OC(=O)CCc1ccc(O)cc1)c1ccc(C#N)cc1 783084130 PARZIZRGTABLIH-CYBMUJFWSA-N 295.338 3.501 30 20 CHED C=C1CCC(C(=O)N(C)c2nc3ccccc3o2)CC1 887877582 JMOXJLQPPMJZFW-UHFFFAOYSA-N 270.332 3.537 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C)cnc1Cl 1121245221 KBPYBBGISGNGAY-GFCCVEGCSA-N 278.783 3.614 30 20 CHED CCc1cccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 1124673776 VFSHYQOWGFRVAX-CQSZACIVSA-N 292.382 3.938 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(NCC(C)(C)C)c1C 781191633 FEAGVWYXIDERJV-ZDUSSCGKSA-N 288.391 3.912 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1cc2ccccc2o1 783172987 NLQFSWYXOKDHFS-UHFFFAOYSA-N 285.343 3.848 30 20 CHED Cc1oc(C)c(C(=O)O[C@H](CC#N)c2ccco2)c1C 1123463335 RMDLKHLCSBNXEC-CYBMUJFWSA-N 273.288 3.610 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1cccc([N+](=O)[O-])c1 783784437 DGLFWOYUDUNQRV-VXGBXAGGSA-N 261.325 3.819 30 20 CHED C=C1CCC(C(=O)NCc2ccnc3ccccc23)CC1 889354827 OGBUBKQDDXTVQN-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ncccc1CC 780727463 RKTVODZBUGGJAG-HNNXBMFYSA-N 294.398 3.507 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@H]1CCOc2c(C)cccc21 789678401 IIEXSUHJOSJCIV-YOEHRIQHSA-N 274.360 3.964 30 20 CHED C=CCCCCCOC(=O)C[C@@](C)(O)c1ccccc1 784823584 PLFUOVAOIBDCLZ-QGZVFWFLSA-N 276.376 3.574 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)C1=CCN(C)CC1 781183040 GFDQIMFWQVSWTL-MRXNPFEDSA-N 294.483 3.894 30 20 CHED CCCCCCCN1C(=O)C[C@]2(CCc3ccccc32)C1=O 781154183 JNNOQOSZEBUVCB-IBGZPJMESA-N 299.414 3.600 30 20 CHED COc1ccc(NN=C(C)c2cccc(C)c2C)nc1 780268689 SKIDODSXOQIDIF-UHFFFAOYSA-N 269.348 3.543 30 20 CHED N#C[C@@H](C(=O)[C@H]1CCCCS1)c1ccc2ccccc2n1 783340959 LLCOOPNFPUXRHQ-CZUORRHYSA-N 296.395 3.697 30 20 CHED CC(C)N(CC1CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 893780079 ZBVYMKBZPPJYTJ-KRWDZBQOSA-N 299.418 3.861 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ccc(F)cc2OCC#N)C1 893437132 PYURHCYRGGLHMF-CHWSQXEVSA-N 294.395 3.814 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C/c1ccc(F)nc1)C2=O 788739888 SXPLXUTYVLCEKE-OVCLIPMQSA-N 297.329 3.787 30 20 CHED COc1cccc2cc(C(C)=NNc3ncccc3C)oc12 790190253 HVSPWNAORUJLBL-UHFFFAOYSA-N 295.342 3.981 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1ccc2ccccc2n1 793113437 FKHGTJGQYKTPII-CYBMUJFWSA-N 269.392 3.983 30 20 CHED COc1cc(C#N)ccc1OCCSC/C(C)=C\Cl 797810785 XFOLFLRHCIBUKD-FLIBITNWSA-N 297.807 3.821 30 20 CHED COCc1cccc(/C=C2\CCc3ccc(O)cc3C2=O)c1 794959505 BEIIULHJFZATAO-MHWRWJLKSA-N 294.350 3.751 30 20 CHED C=CC[C@@H](N[C@H](C)c1cccc(O)c1)c1ccncc1 799718492 CVJKNPQLDGKYIW-CXAGYDPISA-N 268.360 3.755 30 20 CHED C=CCC1(C(=O)OCc2ccc([N+](=O)[O-])cc2F)CCC1 791564364 JOQULZXSRWOALJ-UHFFFAOYSA-N 293.294 3.524 30 20 CHED CON=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 799475359 AHCGBZFUVDZDEL-SNVBAGLBSA-N 257.255 3.975 30 20 CHED C#Cc1cccc(N(CC)Cc2ccncc2Cl)c1 746667494 WFQVZEGUHZEXOZ-UHFFFAOYSA-N 270.763 3.743 30 20 CHED COc1ccsc1C(=O)/C=C\c1c(F)ccc(O)c1F 794944312 FINIIJFYOKXQOA-RQOWECAXSA-N 296.294 3.637 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccccc1OC(C)C 797885193 NGDLBVKDXSCZDG-UHFFFAOYSA-N 299.326 3.604 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cc1O 799897046 MPMRGBLMQDMOHM-GQCTYLIASA-N 272.300 3.507 30 20 CHED C=C(C)CS(=O)(=O)Oc1ccc(Cl)c2ccccc12 797816859 KAEIFSZEPWKWPG-UHFFFAOYSA-N 296.775 3.778 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(C(=O)O)cs2)oc1C 799896338 HXYIPRHMZBKDRX-ARJAWSKDSA-N 276.313 3.552 30 20 CHED CC(C)c1ncc(C=NNCC2(C)CCCC2)s1 793084402 NWUQYNBRVSNCTQ-UHFFFAOYSA-N 265.426 3.770 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)C1CCOCC1 793532536 MKJUIPGXUOWVEY-GJZGRUSLSA-N 253.430 3.916 30 20 CHED N#Cc1ccsc1NC(=O)C1CCC2(CC1)CC2 598800028 LPYCSCPFYLHDEI-UHFFFAOYSA-N 260.362 3.529 30 20 CHED CC(C)[C@H]1CCC[C@H]1NCc1cc(C#N)ccc1F 773029542 HBMAGHVHWBCBKX-GDBMZVCRSA-N 260.356 3.612 30 20 CHED C[C@H]1CC[C@@H](C)CN1c1nc(C(C)(C)C)ccc1C#N 1306980350 WXTKLLNEVBWKPB-OLZOCXBDSA-N 271.408 3.876 30 20 CHED CCC[C@H]1CCCC[C@H]1CNc1nnc(C)c(C)c1C#N 1307142138 TZNLBAKXZMQNLD-GJZGRUSLSA-N 286.423 3.984 30 20 CHED N#Cc1cn(Cc2cccc(Cl)c2)c(=O)c2ccccc12 1307373151 DYAYRIAIFIOZCY-UHFFFAOYSA-N 294.741 3.575 30 20 CHED N#Cc1cnc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(F)c1 1163173099 MQTSJOBFAFFBBX-GXTWGEPZSA-N 287.725 3.714 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cc2ccccc2s1 1321624577 DEQKVUJSACIRBW-WCQYABFASA-N 261.390 3.753 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1c[nH]nc1C 1324246161 XYWPHQKNUWEBEJ-UHFFFAOYSA-N 262.744 3.516 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)CC#Cc1ccccc1 1325609962 CNVMQNKPGFPNSK-SJORKVTESA-N 283.415 3.759 30 20 CHED CC(=NOC(C)(C)C)c1cc(Br)ncc1F 1320501758 YLXFGJYWGBJQRM-UHFFFAOYSA-N 289.148 3.522 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cc(F)cc(Cl)c1 1323947534 NPAUOYWFNCJGBD-UHFFFAOYSA-N 287.721 3.859 30 20 CHED N#Cc1ccnc(/C=C\c2cc(F)c(F)c(F)c2)c1 1339794508 TZWGYTQTFCAXCZ-UPHRSURJSA-N 260.218 3.541 30 20 CHED CCSc1ccc(C(C)=NNCC2CCOCC2)cc1 1335767709 GMTVYIJKBGQCFK-UHFFFAOYSA-N 292.448 3.539 30 20 CHED CC(C)CCO[C@H](C)C(=O)Nc1ccc(Cl)cc1C#N 1338029902 CRGBQUVZAPTQOC-LLVKDONJSA-N 294.782 3.601 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCOC(C)(C)C2)CCCCC1 1336522939 XQRXEEHXULFVQE-CQSZACIVSA-N 279.424 3.587 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)c1occ(C)c1C 1349575014 VDHDFPSNPKAEFS-UHFFFAOYSA-N 286.306 3.514 30 20 CHED Cc1cccc(N(C)C(=O)c2ccc(C#N)cc2F)c1C 1358177366 RSRHMOGRXLVJCU-UHFFFAOYSA-N 282.318 3.591 30 20 CHED Cc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1C#N 1352859050 INCYHAXWRVEXOR-UHFFFAOYSA-N 285.730 3.877 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)c1cccc(F)c1 1351110742 JZBBMODRRRUGJJ-UHFFFAOYSA-N 286.281 3.503 30 20 CHED Cc1cc(Cl)cc(C(=O)N2CCc3cc(C#N)ccc32)c1 1436666600 IEXQVNWQEWPOOV-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=C(CC(C)C)C(=O)N[C@H]1CCSc2ccccc21 1527391318 KKNZIWMUEBYIQP-AWEZNQCLSA-N 275.417 3.942 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(c1ccccc1C#N)C1CCC1 1528686285 CQEVPRSQVTUXBW-CZUORRHYSA-N 282.387 3.880 30 20 CHED C=C(CC)C(=O)Nc1ccc(C)c(OCC(F)F)c1 1527647575 VSZZPTAIQWYXRN-UHFFFAOYSA-N 269.291 3.544 30 20 CHED N#CCOc1ccccc1C(=O)Nc1cscc1Cl 1536880136 NVJGVXOJCITXLR-UHFFFAOYSA-N 292.747 3.556 30 20 CHED Cc1nsc(C)c1C(=O)Nc1ccc(C#N)cc1Cl 1534931353 BRIRXDSXURQWJY-UHFFFAOYSA-N 291.763 3.537 30 20 CHED N#Cc1c(F)cccc1SCc1cc(C(=O)O)cs1 1608193669 CSNVOIZGJMUKEP-UHFFFAOYSA-N 293.344 3.749 30 20 CHED CC1(C)CO[C@@]2(CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 222031201 VEZVHSLJIOIITE-QGZVFWFLSA-N 292.228 3.913 30 20 CHED Cc1ccc(CN(C)c2nccc(C)c2C#N)cc1C 1612487886 LYMVZJYDJVHRON-UHFFFAOYSA-N 265.360 3.515 30 20 CHED CCC[C@H](C)Nc1ccc(C#N)c(Br)c1 228173510 SOQIMFLATQTOAO-VIFPVBQESA-N 267.170 3.921 30 20 CHED CCCC[C@H](CCC)NC(=O)Nc1cc(C)c(C#N)cn1 1626716993 PWEZZFGOAMWKJH-AWEZNQCLSA-N 288.395 3.742 30 20 CHED N#Cc1ccnc(CN2CCCCc3c(Cl)cccc32)c1 1645223740 KLHPWZAUANYNRQ-UHFFFAOYSA-N 297.789 3.950 30 20 CHED C[C@@H]1C[C@@H](C)CN(CCSc2cccc(C#N)c2)C1 1656327574 SCHTVDKBZCKVOK-ZIAGYGMSSA-N 274.433 3.628 30 20 CHED CC(C)CC[C@@H]1CCCCN1Cc1cc(C#N)ccn1 1653689726 KUBJTUWERLIAAA-KRWDZBQOSA-N 271.408 3.744 30 20 CHED Cc1cc(N[C@H]2C[C@@H]2C2CCCCC2)ncc1C#N 1650804250 XHYZEPWJOLFGNG-CABCVRRESA-N 255.365 3.642 30 20 CHED Cc1cc(NCc2cccc(C#N)n2)cc(C(F)(F)F)c1 1659616471 TWYIUUFTKZJIJB-UHFFFAOYSA-N 291.276 3.893 30 20 CHED Cc1cc(NCC2(c3ccc(F)cc3)CC2)ncc1C#N 1654985936 UVJROZLTSQVLRO-UHFFFAOYSA-N 281.334 3.545 30 20 CHED N#Cc1c(NCC2CCCCCC2)n[nH]c1C1CC1 1658094504 KYCNUOVGFMRXCG-UHFFFAOYSA-N 258.369 3.541 30 20 CHED COc1ccc(NC(=O)N(C)c2cccc(C)c2)cc1C#N 1672502289 SKDSGFQCXZLKLO-UHFFFAOYSA-N 295.342 3.544 30 20 CHED CCC(C)(C)CNc1nc(C(F)(F)F)ccc1C#N 233037445 OKENIKCVNIXQKJ-UHFFFAOYSA-N 271.286 3.820 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)Nc1cc(F)cc(C#N)c1 1679885553 ULDSOLFOMJDQQH-YPMHNXCESA-N 289.354 3.645 30 20 CHED C=C(Cl)C[C@H](NCc1ccc2ccccc2c1)C(=O)O 1776143302 QEJUDPVTPFWTHP-HNNXBMFYSA-N 289.762 3.525 30 20 CHED C=C[C@H](C)ON=C(C)c1ccc(-c2ccc(C(=O)O)o2)cc1 1776090616 QVJUGXYMGCPIAX-NSHDSACASA-N 299.326 3.960 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1cc(C(=O)O)ccc1F)C2 1777455627 HAMGSOPAHNKCLV-NTEUORMPSA-N 296.297 3.655 30 20 CHED Cc1ccc(C=NNc2cccc(C(=O)O)c2C)s1 1776086137 DAUKDKBPSMCMCT-UHFFFAOYSA-N 274.345 3.509 30 20 CHED C=CCCCN(C)[C@H](C(=O)O)c1cccc2ccccc12 1776174048 VMGGQQJOMKUWMU-KRWDZBQOSA-N 283.371 3.864 30 20 CHED COc1ccc2c(c1)CCCN2Cc1ccc(C#N)cc1F 11419842 LIDILMWLRNLNFU-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C=C(Cl)CN[C@@H](C)c1nc2ccccc2s1 161754864 DULCVYBFVDAUFE-VIFPVBQESA-N 252.770 3.699 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC[C@@H]1C)c1ccccc1 160572220 JBNPSOUACJQIJG-GOEBONIOSA-N 272.392 3.888 30 20 CHED C=CCOC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 165088238 YRCVYALQMCHERQ-LBPRGKRZSA-N 270.328 3.681 30 20 CHED C=CCCSCC(=O)c1[nH]c(C)c(C(C)=O)c1CC 151990163 BCZHKPAVCRWZOO-UHFFFAOYSA-N 279.405 3.580 30 20 CHED C=C(C)COc1cc(CNc2cccnc2)ccc1OC 157495491 FRUIAHTWXLAOGY-UHFFFAOYSA-N 284.359 3.657 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)Cc1ccccc1Cl 858511496 ZXYKGELDUVSLFT-LBPRGKRZSA-N 292.810 3.717 30 20 CHED Cc1nc(C#N)cc(NCc2cc(Cl)cc(Cl)c2)n1 1307163906 IZHZKHPZNGFVQE-UHFFFAOYSA-N 293.157 3.576 30 20 CHED N#C[C@H](NC(=O)c1ccc(Cl)c(F)c1)C1CCCCC1 157386441 KUWXSKZGWZDKMK-AWEZNQCLSA-N 294.757 3.681 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(C#N)cc1Cl 162850889 LCWDSPAOXOOGBU-UHFFFAOYSA-N 275.783 3.583 30 20 CHED N#CC1(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CCCCC1 44385630 OWXMMZVOZCUKSW-CABCVRRESA-N 274.408 3.642 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccnc1Cl 195113708 HDXXKGYKDQDAII-UHFFFAOYSA-N 272.779 3.923 30 20 CHED CCn1nc(C)c(CNc2cc(Cl)ccc2C#N)c1C 307965218 LBEJMEANGZIPHO-UHFFFAOYSA-N 288.782 3.657 30 20 CHED C#CCSCCNCc1csc(Cl)c1Cl 308851491 BILQWLJEPWLQKU-UHFFFAOYSA-N 280.245 3.511 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCCC2(F)F)cc1F 404245960 GPPRPJMBULODCZ-CYBMUJFWSA-N 282.309 3.612 30 20 CHED CCc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 313436384 BIFBGXZMZUVRNC-UHFFFAOYSA-N 264.328 3.567 30 20 CHED CC[C@H](C)[C@@H](/C(O)=N/c1nc(C)n[nH]1)c1ccccc1 83683142 URNUANJQFONHRJ-GXFFZTMASA-N 272.352 3.531 30 20 CHED CC(C)(CCC#N)CNCC1CCC(F)(F)CC1 337282536 IJPJPQNUTUUVBK-UHFFFAOYSA-N 258.356 3.731 30 20 CHED C[C@H]1CN(c2nccc(C#N)c2Cl)[C@@H]1c1ccccc1 553406965 SMGPVEMRHDYXAM-NHYWBVRUSA-N 283.762 3.804 30 20 CHED C#C[C@H](NCc1ccc(C(F)F)cc1)C(C)(C)C 702256433 MIQRIKYBUBUSRK-ZDUSSCGKSA-N 251.320 3.762 30 20 CHED C#C[C@H](NC(=O)CCSc1ccc(C)cc1)C(C)(C)C 702235831 FCMFTEYDGBAVGU-HNNXBMFYSA-N 289.444 3.641 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1cccs1 695686459 QTZHPYGHBVFNSM-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C[C@@H](CNc1cccc(F)c1C#N)CC(F)(F)F 396984623 YBVDWCRTUVRVAL-MRVPVSSYSA-N 260.234 3.698 30 20 CHED N#CC[C@H]1CCCN(CCCCc2ccccc2)C1 397742574 NMJXPFQFHGBJQZ-QGZVFWFLSA-N 256.393 3.635 30 20 CHED CC(C)C[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1 399252642 LWQOTBZHDDFJTP-KRWDZBQOSA-N 256.393 3.621 30 20 CHED CC[C@@H](CN[C@@H](C)CC(C)(C)C#N)CC(F)(F)F 829178945 JNHBGRXDQGCWSI-WDEREUQCSA-N 264.335 3.883 30 20 CHED Cc1ccc(C)c(C(=O)OCc2ccc(C#N)cc2)c1 3556037 QSRKLQWLYUFXEL-UHFFFAOYSA-N 265.312 3.532 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)CC1CCCC1 58451040 MUGALZGTASADIS-UHFFFAOYSA-N 271.364 3.521 30 20 CHED Cc1cc2cc(NC(=O)c3cccc(CC#N)c3)ccc2[nH]1 52589155 ZDEMMLUTHVQCEG-UHFFFAOYSA-N 289.338 3.795 30 20 CHED CC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)C1CCCCC1 52338558 PDMKRYQRKSSHDP-ZWKOTPCHSA-N 286.419 3.540 30 20 CHED CC[C@@H](C#N)OC(=O)COc1ccccc1-c1ccccc1 176015429 OBAVIUISQXWUCO-HNNXBMFYSA-N 295.338 3.578 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 107202677 RTEUPNKQGDDRBK-OLZOCXBDSA-N 295.304 3.975 30 20 CHED C=CCC[C@@H](NC(=O)NCc1ccoc1)c1ccccc1 178911564 MELDIHIQAYWFPN-MRXNPFEDSA-N 284.359 3.786 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccco1)c1ccccc1OC 178825950 BIGFTDNLYKEMFM-GOSISDBHSA-N 299.370 3.850 30 20 CHED C=CCCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 102233913 WFZKJVAAISBJGP-UHFFFAOYSA-N 272.175 3.918 30 20 CHED CC(C)c1nc(COc2ccc(C#N)c(F)c2)cs1 66749258 JVHJVFPCQLSLHZ-UHFFFAOYSA-N 276.336 3.856 30 20 CHED C#CCCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 172946949 JMMKDAJRNYCQBB-OLZOCXBDSA-N 296.197 3.627 30 20 CHED N#Cc1csc(C(=O)OCc2cnc3ccccc3c2)c1 176481074 HTWZNJFFQCERLJ-UHFFFAOYSA-N 294.335 3.525 30 20 CHED C=CCn1c(SCC(C)C)nnc1-c1cccs1 178685228 FDRAWHKAMCBKJY-UHFFFAOYSA-N 279.434 3.941 30 20 CHED C=CCCCC(=O)N(C)Cc1cc2ccccc2o1 176341386 QRMHGQZIJQJQLL-UHFFFAOYSA-N 257.333 3.748 30 20 CHED C=CCN(C)C(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 119330162 JWYWTYPGAHSTAF-OAHLLOKOSA-N 274.408 3.910 30 20 CHED N#Cc1ccc(N[C@H](c2ccccc2)c2nccs2)nc1 301217236 ZUCFURQKUOSBMI-OAHLLOKOSA-N 292.367 3.611 30 20 CHED C=CC1CCN(C(=O)c2cc(-c3ccc(C)cc3)no2)CC1 110369536 PTLQZQZWBYYHPN-UHFFFAOYSA-N 296.370 3.688 30 20 CHED CCCOc1cc(C)ccc1CNc1ccc(C#N)nc1 301582688 UORSMXRAVVCSSV-UHFFFAOYSA-N 281.359 3.663 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(OCC)c(Cl)c1 69356082 KSCDILSSKRTABD-NSHDSACASA-N 297.782 3.658 30 20 CHED CCCCCC[C@@H](CC)C(=O)Nc1ccn(CCC#N)n1 117712479 WTWIXCVYUYXFMN-CQSZACIVSA-N 290.411 3.732 30 20 CHED C#CCCCOC(=O)Cc1csc(-c2ccc(C)cc2)n1 170712546 CMYCNRWKNXINKE-UHFFFAOYSA-N 299.395 3.618 30 20 CHED CCO[C@H](CNc1cccc(F)c1C#N)c1ccccc1 302837053 XDTYBDOXHRBAJT-QGZVFWFLSA-N 284.334 3.887 30 20 CHED Cc1ccc(CCSc2nc(C)nc(C)c2C#N)cc1 303812888 VPJLFUPTHSRNPQ-UHFFFAOYSA-N 283.400 3.608 30 20 CHED C=CCN(CCc1scnc1C)Cc1cccs1 172071261 FXQHWUCHYIQYTM-UHFFFAOYSA-N 278.446 3.744 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(F)cc1C(F)(F)F 117005856 REMDKMKPFUPPEJ-MRVPVSSYSA-N 290.260 3.931 30 20 CHED COc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1C 60364429 UJFCNGFYUDFRMU-XNTDXEJSSA-N 294.350 3.922 30 20 CHED C[C@H]1CCCN([C@H](C)CNc2ccc(C#N)c(Cl)c2)C1 303542295 YRUIAEPCXSQWQD-QWHCGFSZSA-N 291.826 3.744 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccc2c(c1)CCC2 302401783 DZVPJIMVBTZOAJ-UHFFFAOYSA-N 259.312 3.662 30 20 CHED N#CC1(COC(=O)c2cccc(-c3ccoc3)c2)CCC1 183875458 BRCOCAURCVAKLG-UHFFFAOYSA-N 281.311 3.797 30 20 CHED O=C(/C=C\c1ccccc1Br)c1cccnc1 212538835 VLVUTXPJSIVXJA-FPLPWBNLSA-N 288.144 3.740 30 20 CHED C=CC[C@@H](C(=O)NCCc1cccs1)c1ccccc1 186203909 VODKLXRWWLUITF-MRXNPFEDSA-N 285.412 3.767 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 180423049 RMTURSPVSJRHCN-WDEREUQCSA-N 281.758 3.617 30 20 CHED CC[C@@H](Nc1ccc(C#N)nn1)c1cccc(Cl)c1 302007563 USDKXGUIGNBWDM-CYBMUJFWSA-N 272.739 3.565 30 20 CHED C[C@H]1c2ccccc2CCN1c1ccc(C#N)cc1[N+](=O)[O-] 301476251 BCPNSQDHUOACBP-LBPRGKRZSA-N 293.326 3.590 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccccc2OC(F)F)C1 185735869 ISYAYHAGKXJBMD-GHMZBOCLSA-N 266.291 3.782 30 20 CHED Cc1ccc([C@H]2OCCC[C@H]2Nc2ncccc2C#N)cc1 74778322 YRPJXAQCBZSIIG-IAGOWNOFSA-N 293.370 3.594 30 20 CHED CCCCOc1ccc(C(=O)N[C@H](C)CC#N)c(Cl)c1 184340477 ANBUMJZXVAYGPU-LLVKDONJSA-N 294.782 3.551 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)OC(C)(C)C#N)oc12 181833158 YEVFMWGJBUNHGH-UHFFFAOYSA-N 271.316 3.817 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCCC1(C)C 355403587 OIUABRRKINQZLM-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1csc(C)n1 414534771 KMNFREGHLSVYBU-OAHLLOKOSA-N 272.417 3.729 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)C=C 413990835 UHVZPMONRASPNU-OAHLLOKOSA-N 257.377 3.502 30 20 CHED N#Cc1ccccc1NC(=O)CCc1ccc2[nH]ccc2c1 182231848 KJMBLZCRCIRFHQ-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C#CCCCCC(=O)N1CCc2ccccc2[C@@H]1CC 120152286 KDOKYSDNUBIMFJ-KRWDZBQOSA-N 269.388 3.716 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)CCCN2 415884483 FECDZJKILWXQEE-CYBMUJFWSA-N 273.380 3.521 30 20 CHED C/C=C(\CC)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 188946615 CXFRCYMCZLAHJZ-QLKAYGNNSA-N 295.304 3.529 30 20 CHED C=CCn1c(N(C)Cc2ccc(C)cc2)nnc1C(C)(C)C 508954590 YCYFSJAIBBCIGL-UHFFFAOYSA-N 298.434 3.706 30 20 CHED C=C[C@H]1CCCCN1Cc1csc([C@@H](C)OCC)n1 489442074 ACEQQEUQFAADFC-OCCSQVGLSA-N 280.437 3.781 30 20 CHED C[C@@H](F)CCSc1nc2c(cc1C#N)CCCC2 505467329 MKFFJFJZHFBJGM-SNVBAGLBSA-N 264.369 3.672 30 20 CHED C#CCOc1ccc(CN[C@H](CC)c2c(C)noc2C)cc1 121310881 DVQRCNDFBMBEER-QGZVFWFLSA-N 298.386 3.544 30 20 CHED CCN(Cc1occc1C)C(=O)[C@@H](C)c1cccc(C#N)c1 412796425 DJHSBWOSAAZWAU-AWEZNQCLSA-N 296.370 3.612 30 20 CHED CCc1ccnc(C(=O)N(CCC#N)c2ccc(C)cc2)c1 180957567 LUYULBGQIRTMOR-UHFFFAOYSA-N 293.370 3.513 30 20 CHED C=C(Br)CNCc1ccccc1C1CC1 129750019 ULHIITIXVJWMQN-UHFFFAOYSA-N 266.182 3.562 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cn(C)nc2C)c1 187637988 ZQOPKJOXWWJYOM-MDZDMXLPSA-N 268.360 3.577 30 20 CHED C=C(C)CN(C)C(=O)C[C@H](c1ccccc1)C(C)C 180475470 MGFMRWQRALTWLU-INIZCTEOSA-N 259.393 3.851 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 416282126 BRCQZVJFCNZYKP-HUUCEWRRSA-N 288.435 3.961 30 20 CHED C=C(C)CCN1C[C@@H](c2ccccc2C)OC[C@@H]1C 509679429 HSWBVLFARCPUGV-RDJZCZTQSA-N 259.393 3.723 30 20 CHED C=C(C)[C@@H](NC(=O)[C@@H](C)C1CC1)c1ccc(F)c(F)c1 186052326 XJKHPJWGPAELJT-ZUZCIYMTSA-N 279.330 3.744 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@@H](C#N)c1ccccc1F 410638503 DNVNLNJEHZESCY-WFASDCNBSA-N 276.355 3.579 30 20 CHED N#CCC[C@H](NC(=O)C1=CCCCC1)c1ccccc1 131781392 CQMFBLATOVKGEJ-INIZCTEOSA-N 268.360 3.648 30 20 CHED CS[C@@H]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 78477211 QXSJORXUYFTQPM-ZYHUDNBSSA-N 266.797 3.908 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)c1ccc(-c2nccs2)cc1 415838803 RVSFJGSILYLIRE-MRXNPFEDSA-N 299.399 3.713 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cnc(C(C)(C)C)s1 131193045 UOUUYPBXUGITDE-UHFFFAOYSA-N 299.443 3.944 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412331807 CCIOUZHWUVUQKI-QAPCUYQASA-N 284.403 3.626 30 20 CHED C[C@H]1CN(Cc2ccccc2)CCN1CCCC(C)(C)C#N 174869010 PHVYYOLDFQLNDE-KRWDZBQOSA-N 299.462 3.523 30 20 CHED CCc1nnc(C)cc1C(O)=Nc1cccc2c1CCCC2 329728072 CPPIVFMSMVPORU-UHFFFAOYSA-N 295.386 3.863 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC[C@H](CC)C1 508917431 CBXUJMFRQGFNRZ-HNNXBMFYSA-N 296.418 3.758 30 20 CHED N#Cc1cccc(NCc2cnc(C3CC3)s2)c1 132873829 LUSZLMDTMUZXMC-UHFFFAOYSA-N 255.346 3.504 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](CC)CC(F)(F)F 410561983 XPXUJGMTFALVSP-NSHDSACASA-N 292.345 3.944 30 20 CHED C=C(Cl)CNC(=O)c1sc(-c2cccs2)nc1C 134814654 QEAVNTMTZMUCAH-UHFFFAOYSA-N 298.820 3.662 30 20 CHED CCCc1nc(C(O)=Nc2cnc3c(c2)CCCC3)co1 328833678 WIDIOIDBZDDQQF-UHFFFAOYSA-N 285.347 3.537 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1OC 130267668 YCCLVMTTWLYPSJ-GDBMZVCRSA-N 272.392 3.625 30 20 CHED C=CCSCCN[C@@H](C)CCCC(F)(F)F 229560973 HIVJLYKQYIAEPT-JTQLQIEISA-N 255.349 3.616 30 20 CHED O/C(=N/C[C@@H]1CCCCO1)Nc1cccc2ccsc12 328782827 JTCWIJBGIMCZSN-LBPRGKRZSA-N 290.388 3.796 30 20 CHED Cc1ccccc1C(=O)N[C@H](C#N)c1ccccc1Cl 49882721 MLAUYYRUMZTIGR-OAHLLOKOSA-N 284.746 3.643 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2cnco2)c1 190776249 NTXOPPIBKILVTQ-MRXNPFEDSA-N 270.332 3.882 30 20 CHED C[C@@H]1CC[C@H](C(O)=Nc2cccc3c2C(O)=NC3)C1 329268636 ICMZXBJJTLIKIY-ZJUUUORDSA-N 258.321 3.529 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(C)cc1OC 221946671 RTBQABVEMAOBDC-ZDUSSCGKSA-N 265.422 3.573 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccccc1C#N 194590774 LCFFUACRNWSALO-VAWYXSNFSA-N 277.323 3.853 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCOC2(CCCCC2)C1 135129326 ZJLDRAUFSUSWBO-GOEBONIOSA-N 279.424 3.587 30 20 CHED C[C@@H]1CCC[C@H](Nc2c(C#N)nnc3ccccc23)CC1 227539285 LJSJUIWULFIUOT-OLZOCXBDSA-N 280.375 3.882 30 20 CHED CC(C)N(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCCC1 80869799 WTYSGURNJJZDBF-ZWKOTPCHSA-N 296.414 3.841 30 20 CHED COc1ccc(CN(Cc2cccs2)C2CC2)cc1C#N 87833253 VDRQFOBACPCFKD-UHFFFAOYSA-N 298.411 3.793 30 20 CHED CC[C@@H]1C[C@]1(NC(=O)c1ccc(C#N)o1)c1cccc(C)c1 512925890 PREATMVRKLKGRZ-FZKQIMNGSA-N 294.354 3.515 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)c3ccsc3)CC2)cc1 336439078 RAUUYPQCQZPOIN-UHFFFAOYSA-N 294.379 3.549 30 20 CHED Cc1cc(C)c(CNCc2ccc(C#N)s2)cc1C 421355065 TXVPJSVQKZKVTG-UHFFFAOYSA-N 270.401 3.835 30 20 CHED CCCCCCCCN1CCC[C@H](C)[C@@H]1C(=O)O 232969669 SSLBMYNRNSKKQK-UONOGXRCSA-N 255.402 3.532 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)NCC(C)(C)CCC#N 513108537 PGKZBKZFNWDNKI-HUUCEWRRSA-N 293.455 3.927 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(F)c(F)cc1F 336095870 VWLGFYSHARPBNO-SECBINFHSA-N 284.281 3.676 30 20 CHED C=C(CC)CNC(=O)N[C@H](CC(F)F)c1ccccc1 420856867 GOKBYQDOZBGQFC-CYBMUJFWSA-N 282.334 3.648 30 20 CHED CC[C@H](C)[C@@H](C)N(Cc1ccc(C#N)cc1)C1CC1 513454151 CTGNGIJTWKFTFH-UONOGXRCSA-N 256.393 3.957 30 20 CHED CCC(CC)CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425479304 OFXHQDIXWCKFMS-ZDUSSCGKSA-N 287.407 3.697 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1CCC[C@H](OC)C1 512778357 FOQVBKRSUFWYEF-CVEARBPZSA-N 287.403 3.949 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccsc2Cl)no1 420499879 CIUAPVQKQPHFGQ-ZDUSSCGKSA-N 298.795 3.932 30 20 CHED Cc1ccc([C@@H](NCCCC#N)c2ccccc2)cc1 96980244 QXMJPWXRXMOANS-SFHVURJKSA-N 264.372 3.978 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)CCC2CC2)CC1 331830162 QOIPTVSWYXPUSW-UHFFFAOYSA-N 276.424 3.791 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCNc3ccccc32)s1 335567527 JEBVHSAVAZXGMM-MRXNPFEDSA-N 283.400 3.656 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3c(F)ccc(F)c32)s1 334981103 CVMNJACFHWNVNX-AWEZNQCLSA-N 290.338 3.675 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cccc(C#N)c2)C1 336146693 PILBDDHZGHACTI-KDOFPFPSSA-N 277.371 3.536 30 20 CHED CCC(C#N)(CC)c1nc([C@@H]2CCc3ccccc32)no1 528135720 KLKNADXFGPWYNP-CQSZACIVSA-N 281.359 3.729 30 20 CHED C=C(C)CN=c1[nH]c(-c2cccc(OC(F)F)c2)cs1 523390419 HXQVBRNYZHQICR-UHFFFAOYSA-N 296.342 3.821 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2[C@@H](C3CC3)[C@H]2C)n1 528966883 OHBPSUAIHSOFQA-WGEPELCKSA-N 288.416 3.735 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCC(C)(C)CCC#N)o1 343334618 NCTZIUBASRUCAO-OCCSQVGLSA-N 260.381 3.823 30 20 CHED C=CCC[C@H](NCCC1(COC)CCC1)C1CC1 340447152 STKMPXRTWTYHLM-HNNXBMFYSA-N 251.414 3.528 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 528466057 PWMRNUNRBJXATA-AWEZNQCLSA-N 272.392 3.811 30 20 CHED C=CC[C@@H](CC)NCc1ncc(-c2ccccc2)[nH]1 341466150 QCYDMKKYWSRLIG-CQSZACIVSA-N 255.365 3.521 30 20 CHED CCN(CCC#N)CCCc1ccccc1Cl 343536627 LAUGCMPGDAAUDE-UHFFFAOYSA-N 250.773 3.508 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 245885841 AFQGKPKLJLOJHM-ADEWGFFLSA-N 297.185 3.515 30 20 CHED CCCCCCCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 248230566 AHGZJYIWJHJPKG-UHFFFAOYSA-N 289.379 3.545 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1CC#Cc1ccc(F)cc1 438175371 INOUQMLGHCPSJA-QGPMSJSTSA-N 271.379 3.830 30 20 CHED C[C@@H](Sc1ccc(C#N)cn1)c1nc2ccccc2o1 349143633 MMXZMPUCLRMTEG-SNVBAGLBSA-N 281.340 3.948 30 20 CHED CCc1cnccc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 344296368 LVHLHKFXZHIOPE-ZIAGYGMSSA-N 279.387 3.927 30 20 CHED CCc1ccc(C(C)(C)NC(=O)c2cccc(C#N)c2)cc1 434238541 DZVPLFHNEIYUBW-UHFFFAOYSA-N 292.382 3.786 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(C#N)cs1 437570830 STJIAYCBGHJGKJ-QWHCGFSZSA-N 276.405 3.708 30 20 CHED C=CCn1c(O)nnc1S[C@@H](C)c1cccc(Cl)c1 348121512 MKQQZUVUMRPAQZ-VIFPVBQESA-N 295.795 3.676 30 20 CHED C=CCCN(C)C(=O)c1cccc(-c2ccoc2)c1 342490802 OUZZGDHSAPMUHZ-UHFFFAOYSA-N 255.317 3.595 30 20 CHED CC[C@H](C#N)OC(=O)/C(C)=C\c1ccccc1Cl 255430019 LLPQXQSRUYUCLY-VPUINMBXSA-N 263.724 3.589 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C\c1cncs1 255615888 NWBLLQXUOGYCJZ-ARJAWSKDSA-N 279.748 3.701 30 20 CHED CSc1c(F)cccc1NC[C@H](C)CCC#N 602708305 ZKFJNWQFPJGUDV-SNVBAGLBSA-N 252.358 3.899 30 20 CHED CO[C@@H](c1ccccc1Cl)[C@H](C)NCC1(CC#N)CC1 602802405 RARQPXKCJHBSLX-SWLSCSKDSA-N 292.810 3.699 30 20 CHED C=C(C)CN(C)c1ncnc2sc3ccccc3c12 440680069 QSJYVKRWKVISSC-UHFFFAOYSA-N 269.373 3.857 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CC[C@@H](c2cccc(F)c2)C1 602644373 MWGZGBOXDBPBIY-FRFSOERESA-N 274.383 3.991 30 20 CHED C=CCOc1ccc(CN[C@H](CC)c2ccncc2)cc1 344596261 XBCOFGGWWSCVPO-GOSISDBHSA-N 282.387 3.887 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(-c2ccccn2)cc1 355628181 VLBSYTLTEFXVLN-UHFFFAOYSA-N 279.343 3.627 30 20 CHED Cc1ccccc1[C@@H](C(C)C)N(C)CC1(C#N)CC1 539451901 CRYMTWLLKJZFPD-MRXNPFEDSA-N 256.393 3.928 30 20 CHED Cc1c(C#N)cccc1NCc1ncccc1C(F)(F)F 354780200 GEGFUYVQIHYYRL-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC1(C)CCCN(Cc2cccc(O)c2Cl)[C@@H]1C#N 353222618 UNPMQMKRENXOQQ-CYBMUJFWSA-N 278.783 3.560 30 20 CHED N#CCCCCNc1ncnc2sc3c(c12)CCCC3 264244185 VRUGKRNVPLTLEQ-UHFFFAOYSA-N 286.404 3.676 30 20 CHED C=C(CC)CNc1cccc(-c2ccnc(C)n2)c1 358658276 VOEDAJNOXOKBJU-UHFFFAOYSA-N 253.349 3.830 30 20 CHED C=CC[C@H]1N(Cc2ncnn2CC(C)C)CCCC1(C)C 444779236 BDTUZEYBPOXSCH-OAHLLOKOSA-N 290.455 3.501 30 20 CHED COc1cccc2c(CN[C@@H]3CCC[C@H]3C#N)cccc12 449240802 OXZFWQHXQQWOGY-SUMWQHHRSA-N 280.371 3.630 30 20 CHED C=CCCC(=O)N[C@H]1CCCC[C@H]1Oc1ccccc1C 448194077 QONNRSATHRDVEN-DOTOQJQBSA-N 287.403 3.767 30 20 CHED C=CCCCC[C@@H](C)NC[C@H]1COc2ccccc21 449329404 OCHORPUMQVFQSJ-CABCVRRESA-N 259.393 3.887 30 20 CHED Cc1ccc2[nH]c(C(=O)N[C@@H](C#N)C3CCCCC3)cc2c1 530654084 DDQKDIIFYQNSBG-KRWDZBQOSA-N 295.386 3.679 30 20 CHED C=CCN(CC=C)C(=O)c1c(Cl)cc(C#N)cc1Cl 619242155 LOQKPTJIEXYFPU-UHFFFAOYSA-N 295.169 3.679 30 20 CHED C=CCn1c(C2CC2)nnc1N(CCC)Cc1ccccc1 350752719 RDNVGYAMKLCHMN-UHFFFAOYSA-N 296.418 3.758 30 20 CHED Cc1ccc(C)c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 618787980 QBTHZOWBXWKXLE-SFHVURJKSA-N 290.366 3.592 30 20 CHED CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC(C)(C)CCC#N 355205850 KNKRQHYKVWUMGF-GJZGRUSLSA-N 280.456 3.842 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CCC(F)(F)F 355887208 DPDIOEVAMSEVMQ-JTQLQIEISA-N 256.271 3.503 30 20 CHED C=CCn1cccc1C(=O)N(C)Cc1cccc(C)c1C 358775930 UNPKIUMYHDTFFW-UHFFFAOYSA-N 282.387 3.563 30 20 CHED C[C@@H](C#N)CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 264020924 WJCKXPAWQYGYHM-WDEREUQCSA-N 270.298 3.858 30 20 CHED N#CCCCc1nc(-c2ccc(N3CCCCC3)cc2)no1 359922717 HUSBVCIRQNYNMJ-UHFFFAOYSA-N 296.374 3.573 30 20 CHED CCOc1ccc(CNc2ccc(C#N)cc2Cl)nc1 610855954 NOWRFEHMGIGMIU-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1 532321123 AIAFCUVFSWQCBL-JZLYGMAVSA-N 286.375 3.742 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccc(Cl)o1 615970038 XXAXARFTLIDWIE-UHFFFAOYSA-N 293.725 3.901 30 20 CHED C=CCCc1ccccc1NC(=O)C1CC2(CC2)C1 614479260 GUSUOZNFBBNKON-UHFFFAOYSA-N 255.361 3.934 30 20 CHED O=[N+]([O-])c1ccccc1OCC#Cc1cccc(Cl)c1 610946233 UTCNGRORCNYTEZ-UHFFFAOYSA-N 287.702 3.679 30 20 CHED C=CC(C)(C)CNC(=O)Nc1nc2ccccc2s1 454179277 JDJVCEJWISIYPY-UHFFFAOYSA-N 275.377 3.630 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H](CCc2ccccc2)C(F)F)C1 613666825 BAIASMWWXSFIOC-RBSFLKMASA-N 278.346 3.535 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 450973738 SYDVCTAVHYZZBP-XJIUQZFPSA-N 276.424 3.647 30 20 CHED C=C(C)CCNC(=O)c1ccc(CN(CC)C(C)C)cc1 452723901 OTMCMKJGKLASHZ-UHFFFAOYSA-N 288.435 3.613 30 20 CHED C=CCC(C)(C)CNC(=O)N(CCCC)C1CC1 458810234 MRCYYUCPLRQVRS-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCC[C@@H](OC)C2)CCCC1 619110449 KOHYDMBMNDBDBC-LSDHHAIUSA-N 279.424 3.587 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 617789811 ULPWRRJEMXWHKY-HNNXBMFYSA-N 257.377 3.732 30 20 CHED C=CCN(C)C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 455575359 BOAAGGQVWSHBGQ-ZFWWWQNUSA-N 292.810 3.804 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)c1cccc(Cl)c1 456810369 FLGYZYXBWKXFRX-NSHDSACASA-N 251.757 3.526 30 20 CHED C=CC(C)(C)C(=O)N(Cc1cccc(F)c1)C1CC1 459947623 OMDXLBPHBVFMCU-UHFFFAOYSA-N 261.340 3.529 30 20 CHED C=CC[C@H]1N(C(=O)c2scnc2C)CCCC1(C)C 278320075 HUWWQLWDDNWPFD-GFCCVEGCSA-N 278.421 3.658 30 20 CHED C=CCCCC(=O)N(CCC(F)(F)F)CC(F)(F)F 279722027 ZRSZNQCUHRWRSQ-UHFFFAOYSA-N 291.235 3.686 30 20 CHED COC(=O)c1cccc(OCCCCC(C)(C)C#N)c1 277546696 ITSXIHWLYPHQMV-UHFFFAOYSA-N 275.348 3.572 30 20 CHED C=CCCC(=O)N1CCC(=Cc2cccc(F)c2)CC1 363075780 XRSAVVZHOHHZDZ-UHFFFAOYSA-N 273.351 3.798 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(CC#N)cc1Cl 455737727 UOYRUKCAALUCRA-GFCCVEGCSA-N 291.782 3.882 30 20 CHED C=CCC1(NC(=O)COC/C=C\c2ccccc2)CCCC1 619108403 UZIIZDBYCMULLY-FLIBITNWSA-N 299.414 3.722 30 20 CHED C[C@@H](NCCCC#N)c1ccc(N2CCCCC2)cc1 273179244 DNFXYWIJAZUMLV-OAHLLOKOSA-N 271.408 3.631 30 20 CHED C=CCN(CCOC)Cc1c(Cl)ccc2cccnc12 361647505 YRFWYCCTEOWAAU-UHFFFAOYSA-N 290.794 3.523 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC=C(c2cccc(OC)c2)C1 275986487 MBPKXEHABZOZCS-SFHVURJKSA-N 285.387 3.523 30 20 CHED CC[C@H](N[C@H](C)c1cccnc1)c1ccc(C#N)cc1 278256007 NDILOBFCWAQVTH-DYVFJYSZSA-N 265.360 3.755 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCC(C(F)(F)F)CC2)c1 273270726 ZXEASCPUJNFSPR-UHFFFAOYSA-N 296.292 3.540 30 20 CHED C[C@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)C1CCCC1 455651412 ADZMYROKFCGJMF-AWEZNQCLSA-N 298.430 3.822 30 20 CHED Cc1ccc([C@H]2CCCCCN2C(=O)CC(C)(C)C#N)o1 278361737 OHBQAXAPDBUYCJ-CQSZACIVSA-N 288.391 3.972 30 20 CHED C=CCCOCC(=O)N1CCCCC[C@@H]1c1ccccc1 620224264 NFHGPEMEPDJVTE-QGZVFWFLSA-N 287.403 3.723 30 20 CHED C=CCN(C(=O)c1csc(-c2ccc(C)o2)n1)C1CC1 271460575 GCIWHAUPQKYEQQ-UHFFFAOYSA-N 288.372 3.502 30 20 CHED C=CCC[C@@H](C)NCc1ncoc1-c1ccccc1 544569761 SLBXWOXTARGRSD-CYBMUJFWSA-N 256.349 3.786 30 20 CHED CC#CCCNC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 541747066 YQZJJSBGRPCELU-IAGOWNOFSA-N 293.451 3.672 30 20 CHED CC[C@@H](C(=O)N(CCC#N)C(C)C)C1CCC(C)CC1 547309701 FZYJNJFCYRYWAY-UYSNPLJNSA-N 278.440 3.990 30 20 CHED C=CCN(C(=O)Cc1ccc2c(c1)CCC2)C(C)(C)C 622943015 KKORNJNRFJUKOM-UHFFFAOYSA-N 271.404 3.531 30 20 CHED C=CC[C@H](C(=O)N(C)CCCOC(C)C)c1ccccc1 275027188 OHQUYSVUYBJIRK-KRWDZBQOSA-N 289.419 3.620 30 20 CHED CC[C@H](CC(F)(F)F)N=c1ccc2cc(C#N)ccc2[nH]1 545469464 RBBOJGDJYDUVGX-GFCCVEGCSA-N 293.292 3.671 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)CCC3CCC3)CC2)cc1 378357045 QTBDQHCTPVAJDI-UHFFFAOYSA-N 294.398 3.754 30 20 CHED C[C@H]1CCc2sc(C(=O)N[C@@H](C#N)C(C)(C)C)cc2C1 464713283 SJRHMJUUZQWRIW-HZMBPMFUSA-N 290.432 3.541 30 20 CHED C=C(CNC(=O)N(CC)CC(C)(C)C)c1ccccc1 464393656 RKZKNSIHOJRQQM-UHFFFAOYSA-N 274.408 3.777 30 20 CHED C=C(CC)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 543474265 OVJVSSSWQVHLET-ZDUSSCGKSA-N 287.382 3.937 30 20 CHED C=CCCCCCN(C)C(=O)NCC1CC(C)(C)C1 548374235 OEFWHDAKSKKXGC-UHFFFAOYSA-N 266.429 3.810 30 20 CHED COc1ccc([C@@H](C)NCC2CCC(C#N)CC2)cc1C 282139573 BYUJMPMARACIQH-QQFBHYJXSA-N 286.419 3.984 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(F)c(F)c1 464156701 HFBFUOISKHGYHH-MGPLVRAMSA-N 294.345 3.513 30 20 CHED C=CCCC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 378482562 DTWSPDPABNMTHK-CQSZACIVSA-N 275.367 3.888 30 20 CHED C=CCOc1ccc(OCc2ccccc2C#N)cc1 462656749 LSEHNZIGNXPLFA-UHFFFAOYSA-N 265.312 3.702 30 20 CHED CCCC[C@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N 283615616 UTZUXHDQDQOCFK-STQMWFEESA-N 274.364 3.742 30 20 CHED C=CCC(C)(C)c1noc(Cc2c[nH]c3ccccc23)n1 551145055 XHKFVXRNAAKVPX-UHFFFAOYSA-N 281.359 3.995 30 20 CHED C=CCCCS[C@H]1CCCN(CC(C)(C)C)C1=O 460774002 AJJKNLIGILAJQF-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCOCc1ccccc1 554642777 JKUBUGYFXCOWFA-YJBOKZPZSA-N 289.419 3.700 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCCCc1ccc(Cl)s1 285762041 RDXMZXUBFUXJIT-AWEZNQCLSA-N 298.839 3.780 30 20 CHED C=CC[C@@H](CC)NCc1ncc(C(C)(C)C)s1 466405649 PTUQITMALOZPQB-LLVKDONJSA-N 252.427 3.885 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](c1ncccc1C)C(C)C 281932096 RQLMCRKAXBZQJL-LSDHHAIUSA-N 289.423 3.741 30 20 CHED C=CCN(CCc1ccco1)Cc1cnc(C(C)(C)C)nc1 284519009 YYUWQXJWDDOPAI-UHFFFAOYSA-N 299.418 3.598 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H](C)C(C)(C)C)cc1 552706185 ZVAZYRXLAWPWIL-ZDUSSCGKSA-N 275.392 3.550 30 20 CHED C=CCOCCN[C@@H](c1ccccc1Cl)C(C)C 559147382 WFPHWQVCVDGNDM-OAHLLOKOSA-N 267.800 3.829 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)c1ccc2ccccc2c1 465116583 WXIXQSYTFHKTLB-OLZOCXBDSA-N 253.345 3.634 30 20 CHED C=C[C@@](C)(CC)c1nc([C@@H]2CCCCS2)no1 289804964 RJLNOHFCPMTOPR-GWCFXTLKSA-N 252.383 3.882 30 20 CHED CC(C)[C@@H](CN(C)CC(C)(C)C#N)c1ccccc1 552084929 GGXNJBJXLVUGKJ-MRXNPFEDSA-N 258.409 3.908 30 20 CHED N#CCC[C@H](C#N)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 554432802 IHGDDLYKMLSBNZ-KDOFPFPSSA-N 297.377 3.795 30 20 CHED C=CCC[C@@H](NCCCCCOC)c1ccco1 285971504 HFLCZGPIHQJUMB-CQSZACIVSA-N 251.370 3.693 30 20 CHED Cc1nc2c(OCc3ccc(C#N)c(C)c3)cccc2o1 551362721 HYGQRSBKGWGQEP-UHFFFAOYSA-N 278.311 3.895 30 20 CHED C=CCCCCCCNC(=O)Cc1ccc(Cl)cn1 805218065 QRVMMWRDFDQQDF-UHFFFAOYSA-N 280.799 3.530 30 20 CHED C=CCCCCCCCCNC(=O)N(C)C(C)C 805136682 NKSIPSFSTJDNHT-UHFFFAOYSA-N 254.418 3.953 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)Cc1cccnc1 294638385 GQFINEBXSDHWOX-IAGOWNOFSA-N 299.418 3.540 30 20 CHED C=CCCCCNC(=O)N(CCC(F)(F)F)CC1CC1 472847722 KSKXZBQYQFODSF-UHFFFAOYSA-N 292.345 3.717 30 20 CHED C#Cc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1 809776959 WMNSOSBQEMZAON-GOSISDBHSA-N 299.801 3.535 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CC[C@@](O)(C(F)(F)F)C1 644553134 KMXQVMQERNKGCT-XQQFMLRXSA-N 279.346 3.557 30 20 CHED CCC[C@H](CC)S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C 477050983 TUADJKPHAHMTGB-YDHLFZDLSA-N 284.469 3.741 30 20 CHED C=C(CC)COc1c(Br)cccc1CC#N 565802685 GVQBKWWYMNZMNB-UHFFFAOYSA-N 280.165 3.860 30 20 CHED CC(C)(C#N)CCN1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 561872677 HCOIXQXTBBVTDR-VKJFTORMSA-N 290.451 3.596 30 20 CHED C=CCCCCCCNC(=O)[C@@H](C)Oc1ccccc1F 805218157 UCEFXTRLFXEEAC-CQSZACIVSA-N 293.382 3.846 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)[C@@]1(C#N)CC12CCCC2 294761220 ZRXHUMGSVJYCMG-LPHOPBHVSA-N 296.414 3.598 30 20 CHED Cc1ccc(C2=CCN(c3ccnc(C#N)c3)CC2)cc1 804336900 RFNFOWSKJAHRID-UHFFFAOYSA-N 275.355 3.555 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2cc(C)ccc2C1 479745928 NBTNBOLFXYKPRL-HNNXBMFYSA-N 286.419 3.808 30 20 CHED Oc1ccc(Cl)cc1/C=N/[C@@H]1CCCC12CCOCC2 800722155 XGNXNAPHXGWYPB-CLXYIWAZSA-N 293.794 3.814 30 20 CHED C=C(C)CCNc1cc([N+](=O)[O-])ccc1OC(F)F 563770546 PAIZMHQSWFCDMI-UHFFFAOYSA-N 272.251 3.574 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C(C)C)nc2C)c1 293065323 LXPIYLKHKWYQNM-UHFFFAOYSA-N 292.382 3.771 30 20 CHED Fc1ccc(CON=Cc2c[nH]c(C(F)(F)F)c2)cc1 807982687 JRTWFHFMVAWZGP-UHFFFAOYSA-N 286.228 3.723 30 20 CHED N#CC1(CCOc2cccc(-n3cncn3)c2)CCCCC1 567572950 FFESMRHOKSIUPB-UHFFFAOYSA-N 296.374 3.510 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@@H](C)c1nc(C)no1 642194431 DLEKBRLXQIVHDZ-VIFPVBQESA-N 297.811 3.842 30 20 CHED COc1ccc(C(CCC(C)C)=NNc2ncccn2)cc1 814797497 PEGIGDQLQQVJPX-UHFFFAOYSA-N 298.390 3.738 30 20 CHED CSCCCCC(=O)N(CCC#N)c1ccc(F)cc1 564395700 QWFXICDUGYOZGX-UHFFFAOYSA-N 294.395 3.606 30 20 CHED C=C(C)CCNC(=O)N[C@H](c1ccccc1)C(F)(F)F 564637303 VEYQSSQDRCNPNW-GFCCVEGCSA-N 286.297 3.555 30 20 CHED Fc1ccccc1CCNN=C1CC[C@@H]1C1CCC1 814875700 SHKQOBJNOPNLEB-CQSZACIVSA-N 260.356 3.524 30 20 CHED N#Cc1ccc(NC(=O)/C=C/Sc2ccccc2)cc1F 813259264 ZNKCGSGVTUNMCH-CMDGGOBGSA-N 298.342 3.942 30 20 CHED C=CCOc1ccc(CN[C@H](CC)C2CC2)cc1OC 657680382 JXJFJRGEMUTKPF-OAHLLOKOSA-N 275.392 3.538 30 20 CHED Cc1cc(SCc2noc(C(C)C)n2)ccc1C#N 570211727 KTFBGAMSLUYYIJ-UHFFFAOYSA-N 273.361 3.665 30 20 CHED C=CC[C@@H]1CCCN(Cc2c(C(=O)O)oc3ccccc23)C1 656760201 RBJOLJSCVUTXTC-CYBMUJFWSA-N 299.370 3.919 30 20 CHED N#Cc1ccc(C(=O)N(CC2CC2)C2CCCCC2)s1 487314736 GFQGLBBNQNKKJC-UHFFFAOYSA-N 288.416 3.805 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](CO)c1ccccc1Cl 579101721 HDGOCBIWRQFUAZ-UONOGXRCSA-N 281.827 3.750 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1c(C)nn(C)c1C 812232533 IQNHSVQZQZTEEM-UHFFFAOYSA-N 284.407 3.915 30 20 CHED CCN(CC)c1ccc(CNc2ccc(C#N)c(C)n2)cc1 813588320 KQWVTDGVCCDXLS-UHFFFAOYSA-N 294.402 3.720 30 20 CHED C[C@H]1SCCC1=NNc1ccc(Br)cc1 814796192 PZXSTKQSYXATMJ-MRVPVSSYSA-N 285.210 3.742 30 20 CHED C=CCOCCOc1ccc(Cl)cc1C(=O)CC 573626930 DYBROWMJWYBJSW-UHFFFAOYSA-N 268.740 3.514 30 20 CHED Clc1ccc(NN=Cc2ccc3[nH]ccc3c2)cn1 811642958 MRJKJERTCFFUKQ-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C12CCC2 488211126 FDSBMULVTBJPAR-MSOLQXFVSA-N 298.430 3.646 30 20 CHED N#CCC1CCN(Cc2ccnc(Cl)c2Cl)CC1 811488774 KPSIAAYQZMTUQV-UHFFFAOYSA-N 284.190 3.514 30 20 CHED CN(c1ccc(Cl)c(C#N)n1)[C@@H]1CCC(C)(C)C1 480776966 SOVWKVPRKYGXBQ-SNVBAGLBSA-N 263.772 3.622 30 20 CHED CC(C)OCCON=C1C[C@@H](c2ccccc2)C1(C)C 812239328 ROJMVDGTWOSBST-HNNXBMFYSA-N 275.392 3.998 30 20 CHED C[C@H](CSc1nccc(C#N)c1[N+](=O)[O-])c1ccccc1 480371323 RIGVNTSZMMRGLO-LLVKDONJSA-N 299.355 3.757 30 20 CHED Cc1cc(C)c(C(=O)O)cc1C=NNCC1(C)CCCC1 814937766 PBKMPBJOAXDJBI-UHFFFAOYSA-N 288.391 3.505 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)CSc1ccccc1 653317735 GMAYWXDCEYMSIS-KGLIPLIRSA-N 292.448 3.773 30 20 CHED CC(C)[C@@H]1CN(C(=O)NCC2(CC#N)CC2)c2ccccc21 577814861 SJWYTFGZFPCDIF-HNNXBMFYSA-N 297.402 3.650 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC2(CC1)CC2(F)F 651011020 FUUPFNHGEJPBJM-LBPRGKRZSA-N 286.366 3.562 30 20 CHED N#CCc1ccccc1NC(=O)C/C=C\c1ccc(F)cc1 571322279 GELCGUSFXQDQOB-ARJAWSKDSA-N 294.329 3.934 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCC(C)(C)C1 490015821 WFWDEDZYVJRUSY-ZDUSSCGKSA-N 251.414 3.921 30 20 CHED N#Cc1ccc(F)c(COC(=O)C2CCCCCC2)c1 726212690 XQEAROCSIURGDV-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 572348808 FZZQURGXMOQIAX-UPJWGTAASA-N 277.412 3.857 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H](c1ccccc1)c1ncc[nH]1 820506072 FNODOQLOUISFGS-YOEHRIQHSA-N 297.402 3.560 30 20 CHED C#C[C@H](C)N(C)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 491286659 IZOLSOXAQSMSJM-NEPJUHHUSA-N 297.320 3.679 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(SC(F)F)cc2)cn1 588419208 GXVWOMFBYNPGCU-DAXSKMNVSA-N 294.326 3.631 30 20 CHED C=C(CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1 588840829 QHJVKRYISXOYJP-UHFFFAOYSA-N 289.722 3.769 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(-c2coc(C)n2)cc1 822363458 ZNMBLJHLCZJFDS-UHFFFAOYSA-N 270.332 3.801 30 20 CHED CSc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1Cl 582168825 UWFJPVBVZXOXMO-UHFFFAOYSA-N 294.807 3.940 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H](C)CCC 490200179 XAEBOUHIDDAXGS-CQSZACIVSA-N 263.381 3.663 30 20 CHED CCCCS[C@H](C)C(=O)OCc1cccc(C#N)c1 730930148 WERQXIDMDGBKTO-GFCCVEGCSA-N 277.389 3.523 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C(/C)C1CC1 732643892 JJRKFBSOXXWABL-OWBHPGMISA-N 261.409 3.938 30 20 CHED CCC[C@H]1[C@H](C)CCCN1CCCC1(C#N)CCOCC1 499549183 NGBBUTRTVIJJNR-SJORKVTESA-N 292.467 3.988 30 20 CHED CCCN(CC)C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 589351061 RYNCDZRHBIIWQH-BEFAXECRSA-N 299.462 3.646 30 20 CHED CCN(C(=O)CON=C1CCC1)c1cccc2ccccc12 735489662 AZQFXVOAZFWHRW-UHFFFAOYSA-N 296.370 3.749 30 20 CHED Cc1ccc(F)c(/C=C2\COc3ccccc3C2=O)c1 734981236 PETMNDZDVYGYCJ-UKTHLTGXSA-N 268.287 3.793 30 20 CHED CCC[C@H](C=NNc1nc2ccccc2s1)OC 834915020 WEWQKODGIAOFHG-SNVBAGLBSA-N 263.366 3.509 30 20 CHED C[C@@](C#N)(NC(=O)/C=C\c1cccs1)C1CCCCC1 734240923 WRCSMEGQSYEDAI-YDZSZYSISA-N 288.416 3.740 30 20 CHED c1ccc([C@@H]2CCCCC2=NNc2ccncn2)cc1 835000984 CIEKRCXSKPBFIK-AWEZNQCLSA-N 266.348 3.602 30 20 CHED C#CC[C@@H](OC(=O)c1cc2ccccc2nc1C)C1CC1 835210299 POXKDCZNGDPXAL-QGZVFWFLSA-N 279.339 3.502 30 20 CHED C=CCN(CC=C)C(=S)Nc1cccc(CC)c1 730591104 JIBVMVWIEKSHQK-UHFFFAOYSA-N 260.406 3.620 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(Cl)c(F)c2)C1 839056973 RRWFLFXHSIQLEN-ONGXEEELSA-N 281.714 3.718 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C(C)(C)C)on2)n1 582596639 TYGHKKZYGYRWCR-UHFFFAOYSA-N 275.352 3.876 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccc(F)cc1F 730147373 CKSGOPJPAXLOQX-UHFFFAOYSA-N 297.308 3.771 30 20 CHED CSCCCCc1noc(-c2ccc(C)c(C#N)c2)n1 903782808 GWGJGTWLAXXIRE-UHFFFAOYSA-N 287.388 3.602 30 20 CHED CC(C)CC(CC(C)C)C(=O)OCC1(C#N)CC1 835414713 IZZNLLGTJBRJLW-UHFFFAOYSA-N 251.370 3.542 30 20 CHED N#C[C@H](OC(=O)C1CC2(CCC2)C1)C1CCCCC1 830626234 RTEPOYDAGRVJKL-AWEZNQCLSA-N 261.365 3.582 30 20 CHED COCCOc1cccc(-c2csc(CC#N)c2)c1 904755549 XTPLCWJGOGMLMX-UHFFFAOYSA-N 273.357 3.506 30 20 CHED CCCCCCCCC(=O)N1C[C@H](C)O[C@H](CC)C1 732145344 AYBCSSHSDKTTBO-LSDHHAIUSA-N 269.429 3.763 30 20 CHED CC(=NNc1ccccc1)c1cnn(CC2CCC2)c1 901123841 RBGDQVXJHZCHSU-UHFFFAOYSA-N 268.364 3.519 30 20 CHED CON=C(CC(F)(F)F)c1ccc(Br)cc1 731925951 DGWXXJHJUFAPQD-UHFFFAOYSA-N 296.086 3.752 30 20 CHED CN(CCC#N)c1ccc(CN[C@]2(C)CC=CCC2)cc1 839192426 RQKMHLUTLIFINQ-GOSISDBHSA-N 283.419 3.625 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC[C@@H](C)CC 583863829 HYLXJHKULKSPEZ-ZDUSSCGKSA-N 252.402 3.791 30 20 CHED C=C[C@H](CC)CC(=O)OCCCCC(C)(C)C#N 909526523 YZZSXXRWHNYROF-CYBMUJFWSA-N 251.370 3.852 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C(=O)O)c1cccc(C)c1C 901854082 YYBRTHIRYMDYQK-NOLJZWGESA-N 275.392 3.619 30 20 CHED COc1cc(CN[C@H](C)[C@H](C)c2ccccc2)ccc1C#N 583535369 HLJOUHWKHBJKKE-LSDHHAIUSA-N 294.398 3.849 30 20 CHED C=CC(C)(C)C(=O)Oc1ccc(Br)cc1F 839218517 QWJUJDWDYVGBOJ-UHFFFAOYSA-N 287.128 3.706 30 20 CHED C=C(Br)CN1CCc2ccccc2[C@H]1C 730379083 YLZZZTIKVGDCPN-LLVKDONJSA-N 266.182 3.514 30 20 CHED CCSCCON=C(C)c1cc2ccccc2o1 588394698 YLTYJFWMRZWPTA-UHFFFAOYSA-N 263.362 3.927 30 20 CHED CC(C)CC[C@H]1CCCC1=NNc1ccnc(N(C)C)n1 739413980 RWQKVSNDKWSUJY-CYBMUJFWSA-N 289.427 3.547 30 20 CHED N#Cc1cc(Cl)ccc1CNC1(C2CCC2)CC1 593082077 PQEBDADMDWIIQM-UHFFFAOYSA-N 260.768 3.634 30 20 CHED C[C@@H]1C[C@H]1[C@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 837440124 VXDRNOCEVAYPEM-RGYTYGDFSA-N 287.790 3.567 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C#N)ccc1Cl 594173807 IEUYXSHONWKUCI-UHFFFAOYSA-N 250.729 3.527 30 20 CHED Cc1ccc2ncc(COC(=O)CC(C)(C)C#N)cc2c1 836106081 KNMBQKYIVGXRMT-UHFFFAOYSA-N 282.343 3.526 30 20 CHED Fc1ccc2c(c1)C(=NNc1ncccc1Cl)CC2 748784687 AFUBLPVZEOJODH-UHFFFAOYSA-N 275.714 3.637 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2CCCc3ccccc32)C1 839042069 COJFPQLKAZLKNL-KMFMINBZSA-N 283.371 3.732 30 20 CHED Cc1ccc(C(=O)OCCCC(C)(C)C#N)c(C2CC2)n1 838339929 QRYDHSWRKZOGTN-UHFFFAOYSA-N 286.375 3.754 30 20 CHED CCC#C[C@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 677480514 YOMGFXOELRGQKS-LSDHHAIUSA-N 282.387 3.809 30 20 CHED CC[C@@H](C#N)C(=O)N1CC[C@H](CC(C)(C)C)C1(C)C 593742268 XLDFZFPAOXKFEO-QWHCGFSZSA-N 264.413 3.599 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)c2c(F)cccc2F)c1 917558396 OAUMSFBTGICWLO-XPAGJJBOSA-N 291.297 3.859 30 20 CHED Cc1cc(C)c(/C=C\C(=O)OCCCCC#N)cc1C 915492586 JNDAVMIJAJJJLN-FPLPWBNLSA-N 271.360 3.862 30 20 CHED COc1ccc(CCC(C)=NOCCC(F)(F)F)cc1 740872402 SPLIPHOEIDRIET-UHFFFAOYSA-N 289.297 3.973 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(C(F)F)cc1F)C1CC1 847658571 QPBLOVNZHGOSSG-CYBMUJFWSA-N 282.261 3.722 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(C)c(C)cc2C)n(C)n1 841486545 AHKZKTMZMGGCFD-VOTSOKGWSA-N 268.360 3.550 30 20 CHED COc1cccc2c1CN([C@H](C)c1ccc(C#N)cc1)CC2 590759946 VVTCORRAGJSYKK-CQSZACIVSA-N 292.382 3.686 30 20 CHED COc1ccc2c(c1)CCN([C@H](C)c1ccc(C#N)cc1)C2 595760699 WAUVQMWEWSPPQR-CQSZACIVSA-N 292.382 3.686 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@H]1c1cc(C)ccc1C 593527647 CNLCJNRYCCDPLH-GOEBONIOSA-N 270.376 3.517 30 20 CHED N#Cc1ccccc1OCCN1CC[C@H]1c1ccc(F)cc1 595702236 HTRGQYQIBFSFQQ-KRWDZBQOSA-N 296.345 3.523 30 20 CHED CC[C@H](C#N)N(C)C(=O)C(C)(C)c1ccc(Cl)cc1F 594089530 XHISTWNVKQAFTP-LLVKDONJSA-N 296.773 3.517 30 20 CHED C#CCN(C(=O)[C@H](C)Oc1ccc(C)cc1)C1CCCCC1 743692180 OHJZYXDBTKELCU-INIZCTEOSA-N 299.414 3.557 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)/C=C\CCC 840538631 QUCRXEJGQDVSLQ-VXXVJXPCSA-N 257.377 3.646 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cccc(C)c1 743449914 HIRLJNCBCXGACH-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CCCCCCCCC(=O)Oc1cccc(C(=O)NC)c1 915156092 JFNKTEJNGCYAPC-UHFFFAOYSA-N 291.391 3.702 30 20 CHED C[C@H](NC(=O)c1cccc(C#N)c1)c1cccc(C2CC2)c1 590766785 YRRPFMQZZSYODU-ZDUSSCGKSA-N 290.366 3.927 30 20 CHED C#CCCOc1ccc(C(=O)OC[C@@H](C)CC(F)F)cc1 842444049 RNGWNGVAPWABBQ-LBPRGKRZSA-N 296.313 3.537 30 20 CHED CC(C)CCCCCC(=O)NCc1cc(C#N)ccc1F 747876629 KHZYZVLRFRZCCT-UHFFFAOYSA-N 290.382 3.920 30 20 CHED N#CCCCN1CCC2(CCc3ccccc3C2)CC1 593037320 QRPYPIOFRAQSGY-UHFFFAOYSA-N 268.404 3.561 30 20 CHED COC1(C(=O)OCCC2(C#N)CCCCC2)CCCCC1 840459211 AZQJUQGAWPHVLY-UHFFFAOYSA-N 293.407 3.743 30 20 CHED C#CCCCCCCOC(=O)CCc1scnc1C 842370507 VLQDQJWZKZOYSY-UHFFFAOYSA-N 279.405 3.511 30 20 CHED CC#CCOC(=O)c1ccccc1N=Nc1ccc(O)cc1 744552036 YUTDSOGMQADHOO-UHFFFAOYSA-N 294.310 3.988 30 20 CHED N#Cc1ccc(O)c(NC(=O)CCC2CCCCC2)c1 748002299 IJHHOYXPMBTODS-UHFFFAOYSA-N 272.348 3.563 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(O)c(C)cc2C)cc1 680825701 WWRFBYCINZZAIT-UHFFFAOYSA-N 297.354 3.826 30 20 CHED CC(=O)Nc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1C 925984642 TUUFJLPMXRMJQB-LBPRGKRZSA-N 273.380 3.694 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccnn2CC2CC2)c1 849245127 DQMRHXUUCGJGAH-CMDGGOBGSA-N 296.370 3.588 30 20 CHED Fc1cc(C=NNc2nc3ccccc3[nH]2)ccc1Cl 921254333 YODKWMCLGMDWJW-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C[C@@H]1CC[C@@H](C)C(=NNc2ccc(CC(=O)O)cc2)C1 848413905 FAFKJXYGTDXYCK-VXGBXAGGSA-N 274.364 3.538 30 20 CHED CCc1cnccc1[C@H](C)N[C@H](C)CC(C)(C)C#N 925685189 KRYQBXXWQVADAE-OLZOCXBDSA-N 259.397 3.623 30 20 CHED N#CC1(c2nc(C3(c4cccc(F)c4)CCC3)no2)CCC1 924191271 YLGZRFYPJOILEH-UHFFFAOYSA-N 297.333 3.624 30 20 CHED C=C(C)COC(=O)C(F)(F)c1cccc(Cl)c1 921098136 HQMCVRNYGDEFJS-UHFFFAOYSA-N 260.667 3.551 30 20 CHED C(=NNCCCc1ccccc1)[C@@H]1CCOc2ccccc21 752164067 AUTVHWQROVNUGX-KRWDZBQOSA-N 294.398 3.761 30 20 CHED C=CCN(C(=O)Nc1ncc(C(C)C)s1)C(C)C 755399194 WOOIOIIAJFCIHJ-UHFFFAOYSA-N 267.398 3.695 30 20 CHED C=CCCONC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 856032617 OBPBAOZQUIKNHL-SECBINFHSA-N 288.174 3.721 30 20 CHED CC(=NNc1ncc(Cl)cn1)[C@@H]1C[C@H]1c1cccs1 857220114 BSLOTRZIWIPKIP-WDEREUQCSA-N 292.795 3.783 30 20 CHED C=CCC(CC=C)C(=O)Oc1cc([N+](=O)[O-])ccc1C 758509040 BVEKQRNZUHGQSO-UHFFFAOYSA-N 275.304 3.577 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(F)c(C)c1)C2=O 759666769 VHYVXPHPTVKMIF-LCYFTJDESA-N 282.314 3.965 30 20 CHED C=C[C@@H](OC(=O)[C@@H](CC)SC)c1ccccc1 851451900 MVFAUWHEQXWWDO-CHWSQXEVSA-N 250.363 3.599 30 20 CHED CCc1nc(C)c(C(C)=NOCC2CCC2)s1 853439384 IIRGMMCFTYEEPM-UHFFFAOYSA-N 252.383 3.555 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1ccc(C)c(F)c1 853438106 ORWWPQXBCMDYQQ-UHFFFAOYSA-N 278.327 3.567 30 20 CHED C#CC[C@H](NC(=O)c1cc(C)ccc1F)c1ccccc1 757577372 GYXDSIKQDNGWAC-KRWDZBQOSA-N 281.330 3.629 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1cccc(O)c1 750901217 PJPMFCRYRFUCPS-VURMDHGXSA-N 256.276 3.736 30 20 CHED CC(C(=O)OCc1ccc(OCC#N)cc1)=C1CCCC1 754162632 NXDBPUUIQWEQDB-UHFFFAOYSA-N 285.343 3.523 30 20 CHED C#C[C@H](CC)NC(=O)N(Cc1cccc(C)c1)CC(C)C 753261117 NHQGPXNYYZLSBS-QGZVFWFLSA-N 286.419 3.574 30 20 CHED COc1ccc(C=NNc2cccc(C)c2)cc1F 751345269 KQQODOKEDMGXNL-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CCN(Cc1occc1C)C(=O)Nc1sccc1C#N 931834149 SVBCPDKHIOXBGU-UHFFFAOYSA-N 289.360 3.575 30 20 CHED COc1cccc2c1C/C(=C/c1ccccc1C)C2=O 759653576 RPKQXNXOQRZXMA-UVTDQMKNSA-N 264.324 3.826 30 20 CHED Cc1cc(C=NNC2CC2)c(C)n1C1CCCCC1 758128764 DGYSKBGVHBLLQD-UHFFFAOYSA-N 259.397 3.696 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](CC(F)(F)F)C(C)C 935556296 GVQPBFLEFYYUNM-CYBMUJFWSA-N 298.308 3.574 30 20 CHED CCCCOC(=O)CS[C@H](C#N)Cc1ccc(C)cc1 865377570 JBHJYMNINKHQHV-HNNXBMFYSA-N 291.416 3.506 30 20 CHED CCC(C#N)(CC)C(=O)OCCc1ccc2ccccc2n1 860848955 GACOGHHAHMARRL-UHFFFAOYSA-N 296.370 3.650 30 20 CHED C#CCCNc1ccc(OCC(C)C)c(Cl)c1 760290576 RNFKDRYEAIQQAU-UHFFFAOYSA-N 251.757 3.810 30 20 CHED C#Cc1cccc(NCc2cccc(OCC=C)c2)c1 766444840 SOQUGGIQTLBJDH-UHFFFAOYSA-N 263.340 3.845 30 20 CHED CC[C@@H](C#N)c1ccc(-c2cnc(Cl)n2C)cc1 863978570 ASXMPBXSFQEVCL-JTQLQIEISA-N 259.740 3.758 30 20 CHED C#CCCN(Cc1cc(C)ccc1F)CC(F)(F)F 768533661 IUMAKQBUTFJNAJ-UHFFFAOYSA-N 273.273 3.522 30 20 CHED C[C@H]1CCC(=NNc2ccc(F)c([N+](=O)[O-])c2)[C@H](C)C1 769821016 BAAGDSVAIASDKT-VHSXEESVSA-N 279.315 3.958 30 20 CHED C=C(Cl)COC(=O)c1ccc2nc(C)sc2c1 763521238 NXVMCPRZERUFRU-UHFFFAOYSA-N 267.737 3.514 30 20 CHED C#CCCOc1ccc(CN(CCC#N)CC(C)(C)C)cc1 769334330 CEBMTMLQMJOUJW-UHFFFAOYSA-N 298.430 3.850 30 20 CHED C#CC[C@H](N[C@H]1CCCc2ncccc21)c1ccccc1 866312595 OUAWDVFBTSYQJC-HKUYNNGSSA-N 276.383 3.813 30 20 CHED CC[C@@H](C(=O)OCc1cccc(C#N)c1)c1ccc(F)cc1 764655870 ZXLGYPSRIGTDSE-QGZVFWFLSA-N 297.329 3.934 30 20 CHED CC1(C)CCCCC1=NNCCc1ccccc1F 764723735 SQJXJKQHMKBIOG-UHFFFAOYSA-N 262.372 3.914 30 20 CHED CC1(C)CCC(C=NNc2cncc(Cl)n2)CC1 764685621 XBGPSHHZZTZRCL-UHFFFAOYSA-N 266.776 3.744 30 20 CHED CC(C)c1ccc(CC=NO[C@@H]2CCCCO2)cc1 760246883 QPOLQLCXQVTNKA-MRXNPFEDSA-N 261.365 3.882 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCCCS1 768853605 UNDWWXHUGKDCPM-LBPRGKRZSA-N 269.410 3.535 30 20 CHED C#CCOc1ccccc1-c1noc(/C=C/c2ccco2)n1 761989485 JJRJHDMCSBFWNC-MDZDMXLPSA-N 292.294 3.512 30 20 CHED COc1cc(F)ccc1NN=Cc1cn(C)c2ccccc12 761885361 SDIQXPNMCGVCIY-UHFFFAOYSA-N 297.333 3.772 30 20 CHED COc1ccc(Cl)cc1CC/N=C\c1ccccc1O 1116044871 OZYYSMOWFPBPIM-WQRHYEAKSA-N 289.762 3.716 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NOC1CCOCC1 872366867 KOWQNBSGHIZRBV-UHFFFAOYSA-N 286.375 3.672 30 20 CHED O=[N+]([O-])c1cc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)ccc1F 769829189 DOSWUQFMLWVBMZ-GARJFASQSA-N 277.299 3.568 30 20 CHED C#CCOc1ccccc1NCc1ccc(CC)s1 775361525 PTCIZYMDGJBTCB-UHFFFAOYSA-N 271.385 3.935 30 20 CHED N#CCc1ccc(COC(=O)c2cc3ccccc3[nH]2)cc1 776110571 VZVMCVFMSYQEAM-UHFFFAOYSA-N 290.322 3.591 30 20 CHED O=c1ccccn1N=Cc1sc2ccccc2c1Cl 776790761 FGBSKZBKWBUGDR-UHFFFAOYSA-N 288.759 3.599 30 20 CHED CCC[C@@H](CC)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 873495283 IEWFPDNBUUQCLV-CHWSQXEVSA-N 283.375 3.576 30 20 CHED Cc1cc([C@H](C)NC(=O)c2csc(C#N)c2)c(C)s1 1117790073 UUWRHWULTKFNDB-VIFPVBQESA-N 290.413 3.789 30 20 CHED Cc1cccc(OCCCC(=O)Oc2ccc(C#N)cc2)c1 876469499 LDAUSWDJQLCCEW-UHFFFAOYSA-N 295.338 3.631 30 20 CHED C[C@H](CCC#N)CN[C@H](C)Cc1ccccc1Cl 876933505 REZPADOCMUFPFJ-CHWSQXEVSA-N 264.800 3.800 30 20 CHED Cc1cc(N(C)C)ccc1C[C@@H](C)NC[C@@H](C)CCC#N 877593139 ZRBSZEBHZRAGAN-GOEBONIOSA-N 287.451 3.522 30 20 CHED C=CCN(C(=O)N[C@@H](C)CC1CCCCC1)C(C)C 775227640 GQJSXBBCRBQTBJ-AWEZNQCLSA-N 266.429 3.951 30 20 CHED Cc1ccc(C(=O)OCC(C)(C)CCC#N)c(F)c1F 870340976 JWUPMUBNRRKPAB-UHFFFAOYSA-N 281.302 3.760 30 20 CHED C[C@H](CCC#N)CNc1cc2c(cc1Cl)OCCCO2 877129400 KJUOJXGYEVUHKC-LLVKDONJSA-N 294.782 3.853 30 20 CHED C=C(Cl)CN[C@@H](C)[C@@H](OC)c1ccccc1Cl 778245927 IGSDDJDJPWQCIK-GXFFZTMASA-N 274.191 3.758 30 20 CHED CCc1cnccc1C(=O)/C=C\c1nc2c(s1)CCCC2 776264760 ICUYQHJGXWFJEE-FPLPWBNLSA-N 298.411 3.875 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)Cc2ccc(Cl)cc21 777466367 AJVFEOPCBDZDNL-WZUFQYTHSA-N 273.694 3.697 30 20 CHED Cc1cc(C)c(C#N)c(N(C)CCCc2ccccc2)n1 1121017240 LHOKAQBPCJGPHB-UHFFFAOYSA-N 279.387 3.639 30 20 CHED C=CC[C@H](CCc1ccccc1)OC(=O)Cc1cc(C)on1 1122995647 SKBRELSZEFPFNH-QGZVFWFLSA-N 299.370 3.646 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C)c(N2CCCC2)c1 881001710 IBJASSVOUCQUQE-UHFFFAOYSA-N 287.407 3.683 30 20 CHED C#CCCCCCC(=O)Nc1cc([C@H](C)CCC)[nH]n1 780551872 IOSPEDKYPIAZHG-CYBMUJFWSA-N 275.396 3.836 30 20 CHED CCOc1ccc(C=NNc2ccccc2)cc1F 782098575 UNKFPBWXKPHGRZ-UHFFFAOYSA-N 258.296 3.670 30 20 CHED CC(Cn1nc(C)cc1C)=NOC[C@@H]1CCC[C@@H](C)C1 781613331 ZTYZVJOZUNSQRN-MLGOLLRUSA-N 277.412 3.719 30 20 CHED CC(=NNc1cccc2c1CCCC2)[C@H]1CCCO1 783833018 NOYYUCLFMAVKQC-MRXNPFEDSA-N 258.365 3.532 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc(CCC(=O)OC)c1 786578980 ZNHDVUFSWINBDT-UONOGXRCSA-N 275.392 3.805 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc(Cl)ccc1F 104626747 DMEQARWWWRLOEU-UHFFFAOYSA-N 296.773 3.881 30 20 CHED Cc1cc(C=NNCCCc2ccccc2)cc(Cl)n1 788713955 NFZQVLQQTDTKSY-UHFFFAOYSA-N 287.794 3.600 30 20 CHED Clc1ccc(C2CC(=NNCCc3ccncc3)C2)cc1 789094675 VKYVEKIXPSHPKW-UHFFFAOYSA-N 299.805 3.801 30 20 CHED C#C[C@@H](OC(=O)C[C@H](C)c1c[nH]c2ccccc12)C1CC1 786474179 NWFBZBUCVMNFMC-YVEFUNNKSA-N 281.355 3.617 30 20 CHED N#CCCN(Cc1ccc(Cl)cc1)Cc1ccccn1 81159323 NIPOPNMIIJMRIK-UHFFFAOYSA-N 285.778 3.651 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1cccc(C)c1Br 893961150 OIRQQFCGEDAHJN-ZDUSSCGKSA-N 296.164 3.603 30 20 CHED N#CCCN(Cc1ccccn1)C[C@H]1CCc2ccccc21 780293572 KBOPRJBGVMPEAO-QGZVFWFLSA-N 291.398 3.527 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)CCc2cc(O)ccc21 899352947 RBMAOOSDRINZDY-ZSOIEALJSA-N 294.354 3.526 30 20 CHED COc1ccc(NC(=S)NN=C2CCC(C)(C)C2)cc1 783794826 ZQIHAOPNPUXTLD-UHFFFAOYSA-N 291.420 3.548 30 20 CHED CC(=NO[C@H]1CCCCO1)C1CCC(F)(F)CC1 788722657 YFKHLDIIGWECQU-LBPRGKRZSA-N 261.312 3.731 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccc2ccccc2c1 1135687839 ZKCNDHMAFCPBBA-UHFFFAOYSA-N 275.311 3.600 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](C)c1cc2ccccc2o1 791040896 ATYAYWVPCIEGII-TZMCWYRMSA-N 284.359 3.595 30 20 CHED C#C[C@H](CCC)NC(=O)N(CCC)CCc1cccs1 791058155 DHTIFILGQRRDIX-CQSZACIVSA-N 292.448 3.514 30 20 CHED CCCCCCCCNC(=O)Cc1ccc2c[nH]nc2c1 793730617 WLGBPIFHNZSUJQ-UHFFFAOYSA-N 287.407 3.582 30 20 CHED Cc1c(NN=C[C@@]2(C)CCCS2)cccc1[N+](=O)[O-] 793003869 DWOCTNJXRCRUTC-CYBMUJFWSA-N 279.365 3.587 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 593393785 HJKJKBXIEJNREM-CABZTGNLSA-N 294.807 3.543 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cn(C(C)C)nc2C)c1 798370313 JTALBNLNBNOTLS-VURMDHGXSA-N 284.359 3.683 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1cc(OC)ccc1Cl 798374754 AGQMHZSEOUOLGF-JTQLQIEISA-N 298.839 3.990 30 20 CHED C[C@H]1CC[C@@H](Nc2cccc(OCCCC#N)c2)C1 80458059 ALGZFNAVAAIHFU-DZGCQCFKSA-N 258.365 3.970 30 20 CHED C[C@@H](CC1CCCC1)NCc1ccc(OCC#N)cc1 712576898 FJJMETCRZKIMBN-AWEZNQCLSA-N 272.392 3.647 30 20 CHED CCC(=O)c1ccc(NC(=O)c2ccccc2CC#N)cc1 1147358474 FEGRVACHKIUEBY-UHFFFAOYSA-N 292.338 3.598 30 20 CHED CC(C)C[C@@H](C)C=Nn1c(S)nnc1-c1ccccc1 799105783 KIDJILRTGHUDPE-GFCCVEGCSA-N 288.420 3.750 30 20 CHED O=C(/C=C/c1c(F)ccc(O)c1F)c1cc(F)cc(F)c1 794941727 WMABHODRNAWFTB-HNQUOIGGSA-N 296.219 3.845 30 20 CHED Cc1ccc(C(C)C)c(OC(=O)c2ccc(C#N)o2)c1 796712940 OARPMNSLVQBQQU-UHFFFAOYSA-N 269.300 3.802 30 20 CHED CC(=NNc1ncccc1C)c1cnc2ccsc2c1 790193025 OYYNXWLKIDAFSG-UHFFFAOYSA-N 282.372 3.836 30 20 CHED N#Cc1ccc(O)c(NC(=O)[C@H](F)CC2CCCCC2)c1 793736636 ZJHKAPXDNKWLTO-CYBMUJFWSA-N 290.338 3.511 30 20 CHED C=CC[C@@H](NC(=O)CC[C@@H](C)CC)c1ccncc1 796483056 PRNZVQZSSOCUEC-DZGCQCFKSA-N 260.381 3.641 30 20 CHED CC(=NNCc1c(Cl)cccc1Cl)c1ccc[nH]1 793116731 DRCGQYQPNATIED-UHFFFAOYSA-N 282.174 3.835 30 20 CHED C#Cc1cccc(N(C)Cc2nc3ccccc3s2)c1 728574275 OYEMHPYBVLGBEV-UHFFFAOYSA-N 278.380 3.914 30 20 CHED Cc1cc(Cl)c(NC(=O)c2cc(C#N)[nH]c2C)cc1C 1141281333 UWFVJNGGPTZGLW-UHFFFAOYSA-N 287.750 3.717 30 20 CHED CC[C@@H]1CCC[C@@H](NCc2ccc(OC)c(C#N)c2)C1 87824485 SZHHVAAFPUITRE-CZUORRHYSA-N 272.392 3.625 30 20 CHED CCCCCCCCCN(C)C1CCN(C(C)=O)CC1 768992502 QSOFPZCZBYGADC-UHFFFAOYSA-N 282.472 3.680 30 20 CHED N#CCOc1ccc(CNCc2cscc2Cl)cc1 771945926 KAGJIJLJQVABAB-UHFFFAOYSA-N 292.791 3.594 30 20 CHED COc1cccc(NN=Cc2ccccc2N2CCCC2)c1 1317703325 IMRZTJVAANXWGT-UHFFFAOYSA-N 295.386 3.741 30 20 CHED N#CCC1(CN2CCC[C@H](c3ccccc3)CC2)CC1 1167302133 IKDKYZNMOOGOLD-KRWDZBQOSA-N 268.404 3.950 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(Cl)c(SC)c1 1310875939 SWZINHZYPYGZRL-UHFFFAOYSA-N 291.203 3.936 30 20 CHED CCCCCCCc1nc([C@@H](N)c2ccccc2)no1 1326485432 GGSNYWMTOITWOE-HNNXBMFYSA-N 273.380 3.631 30 20 CHED Cc1c(C#N)cccc1C(=O)OCCCSC(C)(C)C 1329814546 DIRINWWMQMWNGI-UHFFFAOYSA-N 291.416 3.945 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(C#N)cc1 1622711730 CBVWZVJUUFCPKD-MLGOLLRUSA-N 271.364 3.649 30 20 CHED CCN(CC)C1CCN(c2c(Cl)cccc2C#N)CC1 1323421176 GWAQETIFYSQUOK-UHFFFAOYSA-N 291.826 3.522 30 20 CHED C=CCC1(c2nnc(CC(F)(F)F)o2)CCCC1 1327347098 ANCYRZHZVWSLLD-UHFFFAOYSA-N 260.259 3.562 30 20 CHED Cc1cccc2sc(NN=C[C@H](C#N)C(C)C)nc12 1329671874 IHTWMUHNMBOQNG-NSHDSACASA-N 272.377 3.798 30 20 CHED CC#CCCSCc1ccc(-n2ccnc2)cc1 1255681153 DIOHIVQABXCNFP-UHFFFAOYSA-N 256.374 3.519 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C)c1ccsc1 1339281375 PQLFBYXZVXEKRZ-JSGCOSHPSA-N 263.406 3.809 30 20 CHED C[C@H](COCC1CCCCC1)Nc1cccc(CC#N)n1 1333850494 PEHHVQHBYCNPCQ-CQSZACIVSA-N 287.407 3.545 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ccc(OC)cc1)c1ccco1 1335984462 SEZNOCUUYKJYLH-SFHVURJKSA-N 299.370 3.850 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(Cl)cn1 1263642469 ZLXYFAUJYHQPLI-LBPRGKRZSA-N 279.771 3.698 30 20 CHED Cc1ccccc1C1(C(=O)O[C@H]2CC[C@H](C#N)C2)CCC1 1347169392 CUWCJXRWHWQRIX-GJZGRUSLSA-N 283.371 3.652 30 20 CHED C=C[C@@H](C(=O)N(C1CCC1)C1CCC1)c1ccccc1 1347002858 JBIJJYDYUKGEHX-QGZVFWFLSA-N 269.388 3.890 30 20 CHED C=C(CC)C(=O)N(CCC)[C@@H](C)c1ccccc1OC 1346360516 PDXDTKCUXVGTKD-AWEZNQCLSA-N 275.392 3.961 30 20 CHED C=C1CCC(C(=O)Nc2ncccc2C(C)C)CC1 1262116666 PMJWUHKQWWIIJV-UHFFFAOYSA-N 258.365 3.890 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccn1C1CC1 1261254268 GFIKMJBFGAEOLC-UHFFFAOYSA-N 259.397 3.585 30 20 CHED CC1(C)CCC(CC(=O)OCc2ccc(C#N)cn2)CC1 1343738246 FEVREAKAUZPJSZ-UHFFFAOYSA-N 286.375 3.603 30 20 CHED C=C(Br)CN(C)c1cc(Cl)ccc1C 1194715551 RGMLAIJLTNEPFA-UHFFFAOYSA-N 274.589 3.993 30 20 CHED C=C(CC)C(=O)Nc1c(-c2ccccc2)nc2n1CCCC2 1348898839 HLTBDAQLKRCNEW-UHFFFAOYSA-N 295.386 3.791 30 20 CHED C=CCC(F)(F)c1nnc(-c2cc(C)cs2)o1 1348492049 GLTYGTXKIOQWII-UHFFFAOYSA-N 256.277 3.774 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)O[C@H](CC#N)c1ccco1 1344937888 STGSCBBLBBBFHP-YRGRVCCFSA-N 261.321 3.604 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 1351645368 LHVFMDQVFLWOOU-HIFRSBDPSA-N 293.432 3.639 30 20 CHED CC[C@H](Nc1nc(C#N)c(Cl)s1)c1ccccn1 1354267755 LFIBJGAUJQQYQT-QMMMGPOBSA-N 278.768 3.626 30 20 CHED N#Cc1ccccc1NC(=O)c1ccsc1C(F)F 1354227490 TYKQFCWWIIIUNS-UHFFFAOYSA-N 278.283 3.810 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@H]1c1cccnc1)c1ccccc1 1518821942 TWONVDMXZCWUOJ-MSOLQXFVSA-N 292.382 3.715 30 20 CHED C=C(Br)CN(C)[C@@H]1CCCc2ccccc21 919647684 CEKAEDMQPAXSHR-CQSZACIVSA-N 280.209 3.904 30 20 CHED CCC[C@H](C(=O)Nc1cc(C#N)ccc1F)C(C)C 1528040567 MQASAMAWDCSVFK-LBPRGKRZSA-N 262.328 3.708 30 20 CHED CC[C@@H](CC(C)C)C(=O)OCc1ccc(CC#N)cc1 1458305925 KHNWRJZHXYBTIE-INIZCTEOSA-N 273.376 3.868 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2ccc(CC#N)cc2)C1 1524771111 YPBYJOIADJAPMB-HNNXBMFYSA-N 271.360 3.878 30 20 CHED CC1CCC(NC2CCN(c3ccccc3C#N)CC2)CC1 1461678481 TVJHUURCPOJMSL-UHFFFAOYSA-N 297.446 3.695 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1cc(F)cc(C#N)c1 1462171391 SEEMHMRSNTYUFR-UHFFFAOYSA-N 286.281 3.706 30 20 CHED O=C(O)c1cc(N=Cc2ccccc2O)cc(Cl)c1F 1602280004 QWIGCUXLDODOTE-UHFFFAOYSA-N 293.681 3.634 30 20 CHED Cc1nc(NCC(C)(C)Cc2ccccc2)ccc1C#N 1472695991 IFSIOTBDMXQJJX-UHFFFAOYSA-N 279.387 3.943 30 20 CHED N#Cc1cnc(NCc2cc3ccccc3s2)c(F)c1 1472791780 YEJQBILJUVNEQR-UHFFFAOYSA-N 283.331 3.919 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)Nc1cc(C#N)ccc1F 1625460931 WHTJPQBFGUZBQR-ZBEGNZNMSA-N 289.354 3.788 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N(C)[C@H](C)CC#N 1623580581 JJYMHTWBOGECAH-HIFRSBDPSA-N 264.413 3.744 30 20 CHED COc1ccc(C#N)cc1CN1CCC(C)(C(C)C)CC1 1642794901 DUANWOAPYGZVKT-UHFFFAOYSA-N 286.419 3.825 30 20 CHED CC(C)CC[C@H](NCc1cc(C#N)ccn1)C(C)(C)C 1642429643 RYVCALQCIXVHPT-INIZCTEOSA-N 273.424 3.894 30 20 CHED CN(C)c1ccccc1N(C)Cc1ccc(Cl)cc1C#N 1653824908 SLJXODLRIZJPPG-UHFFFAOYSA-N 299.805 3.914 30 20 CHED Cc1cccc(-c2noc(-c3ccc(C#N)cc3)n2)c1 230958212 NMEKTAZCOQXDHR-UHFFFAOYSA-N 261.284 3.584 30 20 CHED CCc1cccc(CN2CCCC(C)(C)[C@@H]2C#N)c1 1658543638 OAKOANOCYMMNIS-INIZCTEOSA-N 256.393 3.763 30 20 CHED Cc1ccccc1CC1CN(Cc2cccc(F)c2C#N)C1 1658598568 KOBZWIXJMDFRSL-UHFFFAOYSA-N 294.373 3.680 30 20 CHED CC(C)(C#N)CCCC[S@](=O)c1ccc(F)cc1F 232526509 HDGVUZBQOPWVNO-IBGZPJMESA-N 285.359 3.792 30 20 CHED N#Cc1ccc(F)c(NC(=O)NCC2CCCCCC2)c1 1672624673 DDCKLPHHOAFFLP-UHFFFAOYSA-N 289.354 3.789 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1cc(C(=O)O)c(C)o1)C2=O 1777455661 KOKPYZMJJGWYQI-IXIHQHOXSA-N 296.322 3.978 30 20 CHED C[C@H]1CCCCCC1=NNc1cccc(C(=O)O)c1 1776037536 MMKATZFCXNOJKZ-NSHDSACASA-N 260.337 3.753 30 20 CHED C/C(C=NNc1ccc(CC(=O)O)cc1)=C\c1ccccc1 1776083800 ZRINOPWMDQROTO-YNRQVGSASA-N 294.354 3.815 30 20 CHED CC[C@](C)(C#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 162139380 ZRLMQMYRGDQNCN-GOSISDBHSA-N 286.419 3.725 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@H](c2ccccc2)C1 158973709 AABMCEPDLJBQFE-INIZCTEOSA-N 280.346 3.687 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1 160315373 LLCRWLZOHJCBSN-LSDHHAIUSA-N 281.380 3.780 30 20 CHED CSC(C)(C)CNc1cccc(Br)c1C#N 165010308 UWUTZGQPXCTXBO-UHFFFAOYSA-N 299.237 3.874 30 20 CHED CN(Cc1cc(C#N)ccc1F)Cc1c(F)cccc1F 155397143 FEZMHIPNBDDXIF-UHFFFAOYSA-N 290.288 3.608 30 20 CHED N#Cc1cccnc1N[C@@H](C[C@H]1CCOC1)c1ccccc1 157928477 JTVPRGUWVHMURM-PBHICJAKSA-N 293.370 3.533 30 20 CHED CSc1ccccc1NCc1ccc(C#N)s1 157471039 OTJOYSURUSZFDA-UHFFFAOYSA-N 260.387 3.954 30 20 CHED COc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)c(C)c1 159498515 LKLBHXIWYVLMAB-CQSZACIVSA-N 296.370 3.907 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 235317963 KNGZNZORKUMZQX-UFBFGSQYSA-N 286.322 3.883 30 20 CHED Cc1cscc1-c1noc(-c2cccc(C#N)c2)n1 235801249 JRTUWEBASIHNGP-UHFFFAOYSA-N 267.313 3.645 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1F 11039518 VCYSDYQZKOSWEU-NSHDSACASA-N 272.298 3.687 30 20 CHED CC[C@H](CC#N)NCc1ccc(Cl)c2cccnc12 160324392 IYHJOGLLHQCRCD-GFCCVEGCSA-N 273.767 3.670 30 20 CHED CCOc1cc(F)ccc1NCc1cccc(C#N)c1 37092022 AAYYWORLTHACLT-UHFFFAOYSA-N 270.307 3.708 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ccc([N+](=O)[O-])cc1 161649321 CCHYLGVQOZTTCO-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CCOc1ccc(NCc2cccc(C#N)c2)c(C)c1 37781793 PUVRJVZWEHFDLK-UHFFFAOYSA-N 266.344 3.878 30 20 CHED CCc1oc2ccccc2c1CN[C@H](CC)CC#N 54183522 RKTRPARUPQQEFP-GFCCVEGCSA-N 256.349 3.777 30 20 CHED C[C@H](CC(C)(C)O)Nc1ccc(C#N)c(C(F)(F)F)c1 295035813 SHDLPIRSKIYFMA-SECBINFHSA-N 286.297 3.538 30 20 CHED COCc1cccc(CNc2ccc(C#N)c(Cl)c2)c1 61846104 VSRQXPIOYCCRMI-UHFFFAOYSA-N 286.762 3.970 30 20 CHED C[C@@H](CNc1ccc(F)cc1C#N)N(C)Cc1ccccc1 301408644 WTDJWYBJJZLMIJ-AWEZNQCLSA-N 297.377 3.630 30 20 CHED CS[C@@H]1CCCCN(c2ccc(C#N)c(Cl)c2)C1 301780384 MXAUEFBPFCEBPV-CYBMUJFWSA-N 280.824 3.934 30 20 CHED N#Cc1cc(F)cc(NCc2cc(F)c(F)cc2F)c1 600860536 ILIOTLLZKUQGIZ-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H]1CCSC1 475286094 IPPQJPOWPMLQDM-INIZCTEOSA-N 261.434 3.818 30 20 CHED Cc1nc(NC[C@H](C)C(F)(F)F)c(Cl)cc1C#N 360067413 WTQPZKGCOQGVPZ-LURJTMIESA-N 277.677 3.525 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(CC#N)cc2)CC1 399012174 YRCAOIGTZVJUTK-OAHLLOKOSA-N 256.393 3.765 30 20 CHED CSc1ccccc1[C@H](C)NC(=O)C1(C#N)CC(C)C1 619674955 RVXBCKLIDVXLNZ-BGMSHATGSA-N 288.416 3.526 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1cccc2ccccc12 7619256 KNSSSJSWPVTUTL-ZDUSSCGKSA-N 284.428 3.941 30 20 CHED Cc1cccc(CSc2ccc(C#N)c(C)n2)c1 310926938 SIEUMCOQGLRDEN-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1cccc2ccccc12 23676626 DCCNSLXGMHLSQP-GJZGRUSLSA-N 277.371 3.934 30 20 CHED COc1cccc(Br)c1OCC1(C#N)CCC1 418894632 BLVSPKIDOBQWCW-UHFFFAOYSA-N 296.164 3.530 30 20 CHED Cc1cnc(CON=C2c3ccccc3-c3ccccc32)o1 174086685 XDLBXUFNVGDQHZ-UHFFFAOYSA-N 290.322 3.933 30 20 CHED C=CC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 110364727 KCESQWJLGSZPHN-UHFFFAOYSA-N 297.320 3.673 30 20 CHED N#CCc1ccc(NC(=O)c2csc3c2CCCC3)cc1 28670043 MUVATQKNJHGDEE-UHFFFAOYSA-N 296.395 3.945 30 20 CHED CC(C)C[C@H](C)CC(=O)N(C)Cc1ccc(C#N)cc1 67800860 RFIINSVJPMPRSP-AWEZNQCLSA-N 272.392 3.589 30 20 CHED CCc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)cc1 119918904 KNPVATXZFAVASY-UHFFFAOYSA-N 298.317 3.543 30 20 CHED C[C@@]1(CNc2ccc(C#N)c(Cl)c2)CCCC[C@@H]1O 301484258 GNJVBCMDMXLEGV-GJZGRUSLSA-N 278.783 3.565 30 20 CHED CCOC(C)(C)CNc1cc(C#N)ccc1C(F)(F)F 302484723 HOGXOTJDHMKEBU-UHFFFAOYSA-N 286.297 3.804 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNc2cccc(F)n2)c1 301258489 GHDPRWDGNUZLBB-ZDUSSCGKSA-N 285.322 3.514 30 20 CHED N#Cc1cc(F)ccc1NCCCc1nc2ccccc2[nH]1 301576144 ZYQKVDRVXZQMHM-UHFFFAOYSA-N 294.333 3.618 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c(CC)cccc1CC 69314676 UCUYVNXYLLZDJP-ZDUSSCGKSA-N 275.392 3.731 30 20 CHED CCCCCC[C@@H](C)C(=O)N(CC#N)C1CCCC1 173109632 QAIGLCODFGEDKV-CQSZACIVSA-N 264.413 3.888 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cc(C#N)cs1)CO2 176843672 JYCWWFGQZSOKQR-MLPAPPSSSA-N 295.363 3.895 30 20 CHED C=CCn1c(SCC2CCC2)nc2sccc2c1=O 172903923 LFPUHDRMLOOEIH-UHFFFAOYSA-N 292.429 3.536 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 177026566 JTWDLINCORUINT-HZPDHXFCSA-N 273.351 3.566 30 20 CHED C[C@@H](C#N)CNc1ccc2cccc(Br)c2n1 302062224 UEOZMJOEXIZYIY-VIFPVBQESA-N 290.164 3.569 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 176934882 SUDUZJRKZUJZDX-UHFFFAOYSA-N 294.398 3.818 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)c(Cl)c1 439440028 PHDRDMPPANULPD-MRXNPFEDSA-N 285.778 3.877 30 20 CHED N#Cc1cccnc1N1CCCC2(CCCCCC2)C1 301464245 KSGJPPZPKQBXDA-UHFFFAOYSA-N 269.392 3.894 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)[C@H](C)c1ccccc1 301589401 XAMIBNWQUJWNED-QWHCGFSZSA-N 251.333 3.557 30 20 CHED Cc1cccc2c1N=C(O)/C2=N\Nc1cccc(F)c1 63424116 KAAWDKWZKODCGJ-UHFFFAOYSA-N 269.279 3.552 30 20 CHED CC(C)Oc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 404854262 SFJJSDICGNUQNW-UHFFFAOYSA-N 298.361 3.774 30 20 CHED CCCCCCCCCC(=O)NC1CCN(C2CC2)CC1 127824528 WZYCOLSQJYDGRO-UHFFFAOYSA-N 294.483 3.870 30 20 CHED CC(C)(C#N)CCC[S@@](=O)c1ccc(F)c(Cl)c1 147452446 NCOKVICJDZSQLP-SFHVURJKSA-N 287.787 3.917 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)c1nc(C)cs1 184362118 MUCFSOQWDPGAQV-CQSZACIVSA-N 289.379 3.703 30 20 CHED C=CCN(Cc1c(C)nn(C)c1Cl)CC1CCCCC1 303460443 NYTNOQLREXEGBE-UHFFFAOYSA-N 295.858 3.950 30 20 CHED Cc1cccnc1[C@@H](NCc1ccc(F)c(C#N)c1)C(C)C 121098832 ZIPWGLOJDJEQET-KRWDZBQOSA-N 297.377 3.888 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@H]2CC)c1 186435685 YUOMLCMKPOLNJJ-CZUORRHYSA-N 288.391 3.904 30 20 CHED CCN(Cc1cccs1)c1ccc(Cl)c(C#N)n1 301543569 SRCCRKTWMIFAIM-UHFFFAOYSA-N 277.780 3.695 30 20 CHED C=CCCSc1nnc(-c2c[nH]c3ccccc23)o1 128600030 QABLMMGKRFQVKI-UHFFFAOYSA-N 271.345 3.886 30 20 CHED Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc(Cl)cc1 33374142 QISCNMDKTGQCFI-FPLPWBNLSA-N 295.169 3.931 30 20 CHED C=CCSCCN[C@@H]1CCCc2sccc21 129345382 GIMRFUVVGIPHNL-GFCCVEGCSA-N 253.436 3.634 30 20 CHED C#Cc1cccc(N(C(=O)CC[C@H]2CC[C@H](C)O2)C(C)C)c1 75200168 GKRNTQSWPDBIMB-MAUKXSAKSA-N 299.414 3.757 30 20 CHED CCCCCCCn1ccnc1[C@H](O)c1ccco1 186793518 DIKCOFYCUBIWFQ-CQSZACIVSA-N 262.353 3.528 30 20 CHED CS[C@H]1CCCCN([C@H](C)c2cccc(C#N)c2)C1 189965271 QPYCFJWFSODMTD-CJNGLKHVSA-N 274.433 3.837 30 20 CHED CC(C)(C(=O)N[C@@H](C#N)c1ccccc1Cl)C1CCC1 410643231 OSLKDSVGHPPWJT-AWEZNQCLSA-N 290.794 3.847 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](C=C)c1ccccc1 121768421 YGGODUXVNNUKEP-HNNXBMFYSA-N 255.361 3.547 30 20 CHED C=CC[C@H](C(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 187821337 WXQACDLAIHMRDY-INIZCTEOSA-N 291.354 3.861 30 20 CHED O=C1/C(=C\c2cccnc2)Cc2ccc(Cl)cc21 33782180 YYXWQHVFDWLTTH-SDQBBNPISA-N 255.704 3.557 30 20 CHED C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 315615004 VNJZTMOZPPERLV-CHWSQXEVSA-N 295.342 3.878 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2c(s1)CCCC2 189931583 KJZKALWRRHVJSB-CQSZACIVSA-N 264.394 3.563 30 20 CHED Cc1nc(Oc2cccc3c2OC(C)(C)C3)ccc1C#N 314135445 FRQTUOABXFDCQK-UHFFFAOYSA-N 280.327 3.768 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@H](C)CCC)c1 78483466 SZDCDFAQOOQTRT-CQSZACIVSA-N 257.377 3.847 30 20 CHED C[C@@H]1CN(Cc2ccc(F)cc2C#N)c2ccccc21 489627123 ZDYLJCFOUMKGDN-GFCCVEGCSA-N 266.319 3.821 30 20 CHED C=CCN(C(=O)c1ccc(C)c2ccccc12)C1CC1 412232250 RGZBMXJSZNUJKP-UHFFFAOYSA-N 265.356 3.939 30 20 CHED CC(C)c1ncc(/C=C/C(=O)c2ccccc2O)s1 125617560 TVYHPBLXIGKBKK-BQYQJAHWSA-N 273.357 3.868 30 20 CHED C=CC[C@@H](C(=O)N[C@H](CCCC)COC)c1ccccc1 188128643 HOLVFSMHSARMEJ-IAGOWNOFSA-N 289.419 3.668 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc([C@@H](C)CC)no1 121526996 MGEFPNUOCBMUGP-LBPRGKRZSA-N 291.395 3.780 30 20 CHED C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(CC#N)C1 129059254 OGWMBFZYXTWDGU-ZWNOBZJWSA-N 268.282 3.612 30 20 CHED C#C[C@@H](C)NC(=O)N(C)Cc1ccccc1-c1ccccc1 185977527 GPCQWBGXHRPSOQ-OAHLLOKOSA-N 292.382 3.517 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)c1cccc(CC#N)c1 78037317 VDYLUHLICQZDES-AWEZNQCLSA-N 290.366 3.734 30 20 CHED C=CCOCCS[C@H](C)c1nc2ccccc2o1 419457504 WVAKWYLFZAWYLL-LLVKDONJSA-N 263.362 3.825 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)[C@H]1CC 185189575 XVPOTYUTGKSGKP-HZSPNIEDSA-N 252.402 3.561 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cccc(Br)c1 450669759 QSTHQIMBMMFHJR-LLVKDONJSA-N 293.208 3.794 30 20 CHED N#Cc1ccccc1OCCSc1ccccc1 37139238 NMFYDNSASWVAKX-UHFFFAOYSA-N 255.342 3.729 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)c1ccc(F)cc1 73079064 LWTKOSMUTNOTSE-UHFFFAOYSA-N 296.345 3.683 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 180442200 PGCRQSUKFBGOPG-KBPBESRZSA-N 297.320 3.843 30 20 CHED CC[C@H]1C[C@@]1(NCC1(C#N)CC1)c1cccc(C)c1 502484556 YDFGQYUUXIRQTL-YOEHRIQHSA-N 254.377 3.514 30 20 CHED Cc1ccc(NC(=O)c2cccc(C#N)c2C)cc1C 509032126 HWWAZMYVHGEHNF-UHFFFAOYSA-N 264.328 3.736 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 501683175 OWMVBHNOTRVOKF-SZMVWBNQSA-N 271.404 3.899 30 20 CHED Cc1ccccc1-c1nnc(S[C@@H](C)CCC#N)o1 188201336 VTFYJRMFZQWLEJ-NSHDSACASA-N 273.361 3.829 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(F)cc1OCCC 131277293 SIWUXCYVRCBGHU-LBPRGKRZSA-N 295.354 3.534 30 20 CHED C[C@H](Nc1ccc(OC2COC2)cc1)c1ccc(C#N)cc1 187755491 MZWUCJRDHPCQNT-ZDUSSCGKSA-N 294.354 3.509 30 20 CHED CCN(Cc1coc(-c2ccc(C)cc2)n1)C[C@@H](C)C#N 509773029 MYMAURPJFUXHQA-AWEZNQCLSA-N 283.375 3.632 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(CO)ccc1C)c1ccccc1 132011552 BZRLOPSNFTXZGK-INIZCTEOSA-N 295.382 3.786 30 20 CHED C=CCN(CCC#N)Cc1cccc(CN2CCCCC2)c1 411755391 IWWFIDADKIBECC-UHFFFAOYSA-N 297.446 3.574 30 20 CHED C=C(C)CCN(CC)[C@H](COC)Cc1ccccc1 509644750 VGFYNXVBPNKXTI-KRWDZBQOSA-N 261.409 3.532 30 20 CHED CCC[C@@H](C)CC(=O)Nc1ccc(C#N)cc1C(C)=O 411059561 FQGDIMUSIDBJBC-LLVKDONJSA-N 272.348 3.526 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cnc(CC)nc1 414448055 QUUGIVQJZMSNGL-UHFFFAOYSA-N 281.403 3.617 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(C#N)c2)C1 505063625 RNDLSDPWAOFBKT-GOEBONIOSA-N 270.376 3.503 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cncs1 414291117 ASFSLYKDJWMQTL-ZFWWWQNUSA-N 272.417 3.981 30 20 CHED C#CCCCC(=O)NCCCc1ccc(C(C)C)cc1 192126911 DOQMKYIDGYMWMF-UHFFFAOYSA-N 271.404 3.662 30 20 CHED C=C(C)[C@@H](NCc1cncn1CC)c1ccc(F)c(F)c1 418005826 LLVBEBQZSFVXID-MRXNPFEDSA-N 291.345 3.588 30 20 CHED C=C(C)CN(CC)C[C@@H](O)c1ccccc1C(F)(F)F 193843925 JHIJTQJYZHFXFA-CQSZACIVSA-N 287.325 3.637 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)C[C@H]1C 413834700 MIEOEOQCVYOOJQ-ZMSDIMECSA-N 286.419 3.614 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccccc2)cc1 49873581 UYMUVMZHXPBIBH-QGZVFWFLSA-N 278.355 3.586 30 20 CHED N#Cc1ccc(NC(=O)NC[C@H]2CC=CCC2)cc1Cl 49300072 VVZUFJYLWNOOSK-NSHDSACASA-N 289.766 3.689 30 20 CHED C[C@H]1[C@@H](C)SCCN1Cc1ccccc1C(C)(C)C#N 135239522 ZDNUWOGATWEWFE-UONOGXRCSA-N 288.460 3.814 30 20 CHED C=CCCCCCN1CCC[C@H]1c1c(C)n[nH]c1C 193456990 OLHPUHPJCMQXHO-HNNXBMFYSA-N 261.413 3.910 30 20 CHED Cc1nc(-c2cccc(C(=O)O[C@@H](C#N)C3CC3)c2)cs1 80414200 LFTQQTKHMGTWJZ-HNNXBMFYSA-N 298.367 3.578 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1cc(C#N)cs1 84058675 DFPYDGQHNBRCFY-NSHDSACASA-N 264.394 3.564 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)c1ccc(C#N)cn1 45026411 HFOXGMLZXOYCST-GFCCVEGCSA-N 277.327 3.897 30 20 CHED C#Cc1cccc(NC(=O)c2sccc2C2CC2)c1 49376367 OPILHIZILAAZBM-UHFFFAOYSA-N 267.353 3.859 30 20 CHED Cc1nccc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)n1 329618877 FBLJNSRCJWSGPZ-BFHYXJOUSA-N 273.380 3.980 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)sc1C 41497312 MKBNTVPVMILBFC-LLVKDONJSA-N 295.367 3.731 30 20 CHED C=CCOc1ccc(CNCc2ccccc2N(C)C)cc1 512502041 UFEPMAGSICNVDE-UHFFFAOYSA-N 296.414 3.607 30 20 CHED CC(C)c1cc(C(O)=Nc2scnc2C2CC2)nn1C 328957326 ZPFBUXRBOACYTK-UHFFFAOYSA-N 290.392 3.514 30 20 CHED Cc1c(N=C(O)c2cccc(O)n2)sc2c1CCCC2 329890307 GAZWFQOTHWOIGK-UHFFFAOYSA-N 288.372 3.672 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(C#N)cc1 510586822 BZOSEDXAKORLMZ-HIFRSBDPSA-N 270.376 3.504 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1cc(F)ccc1F 514961962 IJRNEQMJRNAYSW-LLVKDONJSA-N 297.370 3.646 30 20 CHED C[C@H](NC(=O)[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 424575087 VNGNAVVTVUXXGN-WWGRRREGSA-N 270.376 3.562 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(OC)ccc1Cl 191015397 GLHQLGCIEGGEFB-AWEZNQCLSA-N 267.756 3.889 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cccc(Cl)c1Cl 193794631 ZSQBOHMLLUNLCW-UHFFFAOYSA-N 286.202 3.961 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CC(CC)CC)cc1 518152784 ZPDGVKNJOIOVIW-MRXNPFEDSA-N 272.392 3.756 30 20 CHED C=CC[C@H](C(=O)N1CCSC[C@@H](C)C1)c1ccccc1 191282978 ARWHYGNKWRVPCR-HOCLYGCPSA-N 289.444 3.558 30 20 CHED Cc1ccc(-c2nnc(NCc3cccc(C#N)c3)o2)s1 195009380 YIYZDRAJURXSPF-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C=C(C)CN(CC)C(=O)CSCC1CCCCC1 195737105 WYTRYSFZXAIPPN-UHFFFAOYSA-N 269.454 3.725 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)c2ccccn2)C1 424329566 PMPXBIZKSYBKNO-FDQGKXFDSA-N 295.361 3.592 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccoc1Cl 192295406 ZIVHKAVNOPBIIZ-UHFFFAOYSA-N 289.762 3.804 30 20 CHED Cc1nn(Cc2nc(C3CCCCC3)cs2)cc1C#N 518852314 VZQSPZRAEDFDAA-UHFFFAOYSA-N 286.404 3.616 30 20 CHED CCc1nc(C)c(N=C(O)N(C)[C@@H](C)c2ccco2)s1 331183446 IALCLZIFDGDEIE-JTQLQIEISA-N 293.392 3.845 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 90920884 QPGWYRKMYSYCGO-CVEARBPZSA-N 297.801 3.847 30 20 CHED CO[C@@H]1CCC[C@@H]1C/N=C(/O)c1occc1C(C)C 330477719 JNHHCUXVSRKXAO-DGCLKSJQSA-N 265.353 3.523 30 20 CHED C=CCCS[C@H]1CCCN(c2cccc(F)c2)C1=O 339094826 XOMCJNSCSCDCJV-AWEZNQCLSA-N 279.380 3.630 30 20 CHED N#Cc1ccccc1NC(=O)/C=C\c1ccc(Cl)s1 96936540 HOURVNZYVXGNGN-VURMDHGXSA-N 288.759 3.925 30 20 CHED Cc1nc(CC(C)C)c(/C(O)=N/[C@@H]2CCC[C@H]2C#N)s1 331316253 FQIIUYCESSJBJY-NWDGAFQWSA-N 291.420 3.647 30 20 CHED N#CCCC1CCN(C(=O)Nc2ccc(F)cc2F)CC1 335384555 IWSQFNXAARZMDA-UHFFFAOYSA-N 293.317 3.512 30 20 CHED CCCc1nc(C)c(NC(=O)c2cccc(C#N)c2C)s1 337804272 JEWUOTHERUBNGG-UHFFFAOYSA-N 299.399 3.836 30 20 CHED C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCOCC1 230217647 WLCMONLBRDGEPQ-JTQLQIEISA-N 298.308 3.804 30 20 CHED C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)S1 235361900 XSGBIDAMHHNADG-CHWSQXEVSA-N 254.443 3.532 30 20 CHED N#Cc1c(F)cccc1N1CCC(F)(c2cccnc2)CC1 336617389 LXLTZITXHOEDLY-UHFFFAOYSA-N 299.324 3.558 30 20 CHED CC(C)(CCC#N)CN(Cc1ccco1)C[C@H]1CCCO1 92437444 NNQHJCBODJTXDF-MRXNPFEDSA-N 290.407 3.591 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(CC#N)cc1 343795415 GOCULLVVAGYQEF-UHFFFAOYSA-N 280.371 3.576 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 346956808 NIJDCSLBBDYWMW-QEJZJMRPSA-N 297.402 3.755 30 20 CHED O=C1CCCc2cc(OCC#Cc3ccc(F)cc3)ccc21 433376646 OGAVIBGFJULCGE-UHFFFAOYSA-N 294.325 3.775 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@@H]1c1ccsc1 345209883 PPTVYIIZOOEMSS-MRXNPFEDSA-N 298.411 3.836 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCc2ccc(C#N)s2)o1 343330682 IIDZESQIPZCSII-IINYFYTJSA-N 272.373 3.626 30 20 CHED C=CCCCCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 524609048 FNTGQMOHUVKTBI-UHFFFAOYSA-N 292.379 3.782 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2c(c1)CCCC2 431864381 JPOHLVJRZRMZBB-UHFFFAOYSA-N 290.366 3.998 30 20 CHED CCN(C(=O)CCC(C)C)[C@@H](C)c1ccc(C#N)cc1 248292817 UYLCVOVDCAELNB-AWEZNQCLSA-N 272.392 3.904 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N(CCC#N)CC1CC1 347925862 SHMFHEQDSBWGIN-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C#N)c1C 431753430 VOUFNYACKCGQIX-CZUORRHYSA-N 285.391 3.957 30 20 CHED C=CCC(C)(C)c1noc(CCCCSC)n1 340811265 YQAJQTHEYGBTNI-UHFFFAOYSA-N 254.399 3.609 30 20 CHED CCC(CC)(CC)NC(=O)[C@@H](C#N)CCc1ccccc1 433374864 GJNIEGNGIFBCCM-MRXNPFEDSA-N 286.419 3.844 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H]2CCC[C@H](C)C2)n1 522748150 SGVWZUZXPXWTPT-CABZTGNLSA-N 261.394 3.636 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCCc2occc21 342625136 NMDMFPKSCZTBFV-OAHLLOKOSA-N 291.391 3.536 30 20 CHED Cc1cc(Cl)ccc1NC(=O)N1CCC(F)(C#N)CC1 348151725 KPTQXMFHNVGGGE-UHFFFAOYSA-N 295.745 3.508 30 20 CHED N#Cc1ccnc(N[C@H]2CCSc3c(F)cccc32)c1 341541892 DUFDWKAPKFKKTI-ZDUSSCGKSA-N 285.347 3.741 30 20 CHED C=CCOc1ccc(CNC2(C)CCCC2)cc1OC 520213353 ZQJXDNHFKALNBA-UHFFFAOYSA-N 275.392 3.682 30 20 CHED CC[C@H](C)CCC(=O)N(CC)c1ccc(C#N)cc1 342380794 MSLQBDPSBSHKKL-ZDUSSCGKSA-N 258.365 3.737 30 20 CHED COc1cccc(C=Nc2cc(C)cc(F)c2)c1O 255840259 VEMQCTGTJYZYKV-UHFFFAOYSA-N 259.280 3.599 30 20 CHED Cc1nc(C)c(C#N)c(SCc2ccc(C)c(F)c2)n1 600515904 JQVATHVZKCFONV-UHFFFAOYSA-N 287.363 3.705 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C 602304195 WIHVTFJELPJJKQ-KBXCAEBGSA-N 286.419 3.618 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NCC1CCOCC1 354535473 JHZVGGGIFLXJRI-ZDUSSCGKSA-N 290.432 3.919 30 20 CHED C=C(C)CN(C)Cc1cnc(-c2ccc(C)o2)s1 353149971 IIWFKXZTEDXQKG-UHFFFAOYSA-N 262.378 3.719 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(-n2nc(C)cc2C)c1 448691946 UUXJMEXOWVTMNF-UHFFFAOYSA-N 283.375 3.640 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CN(CCC#N)Cc1ccco1 443417310 WLXBXZZUNYBCKA-DOTOQJQBSA-N 272.392 3.988 30 20 CHED C=CCCCSCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 609804965 FVRFBIWAKDGIIW-BFHYXJOUSA-N 269.454 3.627 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(C)s1 351596664 PCEORYFSVZMHIQ-UONOGXRCSA-N 265.422 3.521 30 20 CHED C=CCCC1(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 356706527 FEVFPIASEATDCG-GDBMZVCRSA-N 261.409 3.772 30 20 CHED CC(C)(C#N)c1ccc(-c2nc(COC3CCC3)no2)cc1 601965597 WHGKSDARLJLAAE-UHFFFAOYSA-N 297.358 3.607 30 20 CHED C=CCCOCCCCC(=O)Nc1ccccc1CC 538266121 PGQIPHFFZIISCU-UHFFFAOYSA-N 275.392 3.951 30 20 CHED CC(C)(C)c1ccnc(N2CCC[C@H](CC#N)C2)c1 603403006 FYZQWPVDMJMVPI-CYBMUJFWSA-N 257.381 3.509 30 20 CHED Cc1cc(NC(=O)C[C@@H](C)CC(C)(C)C)n(CCC#N)n1 604480541 ULENDLGMHYRLLR-GFCCVEGCSA-N 290.411 3.506 30 20 CHED C=CCn1c(C(C)C)nnc1N(CC)Cc1ccccc1 350752517 PJSCJDBKUBMAOX-UHFFFAOYSA-N 284.407 3.614 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1C[C@H](C)C[C@@H](C)C1 356769046 MICHFHWITLXXQU-HUUCEWRRSA-N 278.440 3.847 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H]1c1cccc(F)c1 611274556 RAUDOIAGALNDPX-OAHLLOKOSA-N 260.356 3.902 30 20 CHED CC1CCC(CC(=O)N[C@H](C#N)c2ccc(F)cc2)CC1 359875404 MKTSOVUADXZRJA-SEEARECTSA-N 288.366 3.723 30 20 CHED C=CCN(C(=O)c1c(C)c(CC)nc2ccccc12)C1CC1 538273749 RRPSBAWVQRLTEA-UHFFFAOYSA-N 294.398 3.896 30 20 CHED CS[C@H](C)CCC(=O)N[C@H](CCC#N)c1ccccc1 358703159 XRCIOEAIENHDBB-UKRRQHHQSA-N 290.432 3.679 30 20 CHED N#Cc1ccc(SCc2ccc3c(c2)CCC3)nc1 351738696 CHWREUMFDBSJTH-UHFFFAOYSA-N 266.369 3.734 30 20 CHED COc1ccc(COc2ccc(C#N)cc2F)cc1Cl 534261248 YDQZDBDWRPBKKS-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C=CCCNC(=O)C1(c2cccc(Cl)c2)CC(C)C1 617619078 HVRRCMMVITVTPT-UHFFFAOYSA-N 277.795 3.700 30 20 CHED Cc1ccsc1CNC1(c2cccc(C#N)c2)CC1 269601506 IMUQJVRENHXAPX-UHFFFAOYSA-N 268.385 3.707 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(CC)c(C)c2)CC1 538773436 OKNWYIAVLAPOMU-UHFFFAOYSA-N 272.392 3.987 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1scnc1C)C2=O 268576175 JGYBSZATMOHXPF-XYOKQWHBSA-N 285.368 3.809 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCCC[C@@H]1CC 538603345 ATMVVRIJEFLWAG-IHRRRGAJSA-N 252.402 3.609 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 269747360 YYAIZFHQFKVYKT-GDBMZVCRSA-N 287.407 3.717 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2c2cccc(C#N)n2)c1 531627624 NBGYGSMVGJQRQK-KRWDZBQOSA-N 277.371 3.912 30 20 CHED CCC[C@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 611239251 YTHVJUAJWPXAAC-AWEZNQCLSA-N 297.402 3.546 30 20 CHED C=CCN(C(=O)NCC1CCC(CC)CC1)C1CC1 539010931 QBENNFNAVDINMD-UHFFFAOYSA-N 264.413 3.563 30 20 CHED CCOC(C)(C)CN[C@@H]1CCCCc2cc(C#N)ccc21 360871168 JIINCMWZUGMDRH-QGZVFWFLSA-N 286.419 3.730 30 20 CHED C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 610407255 SNRKQQNXLUGKPT-JKIFEVAISA-N 299.418 3.839 30 20 CHED CCC[C@@H](NC(=O)NCC1(CC#N)CC1)c1ccccc1 362359832 PLBAPLKYGMTPPX-OAHLLOKOSA-N 285.391 3.521 30 20 CHED C[C@H](NCCCC#N)[C@@H](C)c1nc2ccccc2s1 273209013 KFCUCSAJXZNZSX-NEPJUHHUSA-N 273.405 3.682 30 20 CHED C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)OCC 270047995 BONZNYYQRGUDHH-HFTRVMKXSA-N 287.403 3.577 30 20 CHED C=CCOCc1nc(Cc2c(Cl)cccc2Cl)no1 546952490 TZONVYJFSOHSOB-UHFFFAOYSA-N 299.157 3.670 30 20 CHED C=C(CC)CSCCCS(=O)(=O)c1cccc(C)c1 361916456 MMCGZUVRQDPDMB-UHFFFAOYSA-N 298.473 3.858 30 20 CHED C[C@@H]1CCCC[C@@H]1N1CCC(NCC(C)(C)CC#N)CC1 459734697 SOGRJWJYXUXUOT-WBVHZDCISA-N 291.483 3.559 30 20 CHED C=CCC(C)(C)CNC(=O)c1ncccc1SCC 452139674 ODIAWGABFRPDDU-UHFFFAOYSA-N 278.421 3.526 30 20 CHED Cc1ccc(Cl)c2ccc(N3CCC(C#N)CC3)nc12 272360381 ZEBMSGNZVLQRRN-UHFFFAOYSA-N 285.778 3.937 30 20 CHED CC(C)(C#N)CC(=O)Oc1ccc(F)c(C(F)(F)F)c1 278903190 YTSROGIDFNUDSN-UHFFFAOYSA-N 289.228 3.690 30 20 CHED C=C(CC)CNC(=O)N1CCCC[C@H]1c1ccccc1 459100592 SAMBHTFDBZDZQJ-INIZCTEOSA-N 272.392 3.889 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3c(OC)cccc32)CCCC1 450117035 SGURBPUVAHOKSH-INIZCTEOSA-N 299.414 3.935 30 20 CHED CC[C@H](NC[C@H](OC)[C@@H](C)CC)c1ccc(C#N)cc1 453271778 UHWKPEFUGYIFQE-JQFCIGGWSA-N 274.408 3.660 30 20 CHED C=CCCC(C)(C)NC(=O)c1sccc1SC 622981180 UJCYICCAYZDAGO-UHFFFAOYSA-N 269.435 3.945 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cc2cc(C)c(C)cc2o1 540398024 ZOLFMCILIHRUKC-GJZGRUSLSA-N 287.403 3.885 30 20 CHED C=CCOCCOc1ccc(Cl)cc1C(F)(F)F 549056851 ROUGVZDSHAITEI-UHFFFAOYSA-N 280.673 3.940 30 20 CHED Cc1ccc([C@H]2CCCN2CC2(C#N)CCC2)cc1 450211151 OJSHWYRBTSRNMQ-MRXNPFEDSA-N 254.377 3.826 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 540526969 ZHNWSGMKPSZBBO-NWDGAFQWSA-N 297.345 3.593 30 20 CHED C=C[C@H](C)NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 464756530 RJWMSJOPNYRDDR-VIFPVBQESA-N 299.201 3.636 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)s1 271198423 SIGJTUPOKQAGFO-ZDUSSCGKSA-N 286.375 3.748 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C 464160663 YVSOIEHOHAXQBQ-IAQYHMDHSA-N 252.402 3.503 30 20 CHED Cc1ccc(CCC(=O)Nc2ccc(CC#N)cc2)s1 289676426 HJTGCGVZEFZALJ-UHFFFAOYSA-N 284.384 3.694 30 20 CHED Cc1cc(C#N)cnc1-c1nc(CCC2CCCCC2)no1 551355694 MPMFIGXKBZNPIH-UHFFFAOYSA-N 296.374 3.825 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 552154819 ZFILWWSYPCAUCK-ZBFHGGJFSA-N 276.424 3.745 30 20 CHED C=CCCCNC(=O)CC(C)(C)c1ccc(C)cc1 468362525 AXBZCOPSAGUPNQ-UHFFFAOYSA-N 259.393 3.745 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(OC(C)(C)C)cc1 463027012 BMQBPFQUGAYJLU-GJZGRUSLSA-N 291.435 3.699 30 20 CHED C=CCC[C@H](NC[C@@H]1CCO[C@H](C)C1)c1ccco1 285901836 CUCVHFHCOXMXNT-KFWWJZLASA-N 263.381 3.692 30 20 CHED C#CCC(C)(C)c1nc(CCn2ccc3ccccc32)no1 289601086 HNQVGSNRSNGKHS-UHFFFAOYSA-N 293.370 3.568 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCC1(C)C 554341441 HZEMPKDZQAVBAY-INIZCTEOSA-N 286.419 3.963 30 20 CHED C=CCCN(C)Cc1cc(C(F)(F)F)ccc1F 467378525 VPRUHLXXXYPOTM-UHFFFAOYSA-N 261.262 3.852 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CCCSC1)c1ccccc1 553733465 BCICTSYFZVYLHB-LSDHHAIUSA-N 289.444 3.606 30 20 CHED CCc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 461736547 ZLTNDRCTOITEHK-ZDUSSCGKSA-N 278.355 3.863 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc(C#N)c1 466975429 YHATUKBYGMRPCM-GDBMZVCRSA-N 285.391 3.991 30 20 CHED N#Cc1cnccc1/C=C\c1cnc(-c2ccccc2)nc1 556779477 VJGHURZMMGNCKK-SREVYHEPSA-N 284.322 3.581 30 20 CHED C=CCOCCN1CCC[C@@H](c2ccc(F)cc2)CC1 555421499 SLRJGUFFVAXCAO-OAHLLOKOSA-N 277.383 3.598 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 285565822 UDZAREXAKQQFEJ-SUMWQHHRSA-N 288.391 3.591 30 20 CHED C=C(CNC(=O)Nc1cc(C)cc(F)c1)c1ccccc1 478172596 USFSLVWIHMUWKL-UHFFFAOYSA-N 284.334 3.969 30 20 CHED C=C1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 470169939 MAILXHJAPOHJDJ-UVTDQMKNSA-N 272.348 3.650 30 20 CHED N#CCCCC(=O)NC1(Cc2ccccc2)CCCCC1 291597250 CKUZAAHQOLWBLX-UHFFFAOYSA-N 284.403 3.742 30 20 CHED C=CCC1(C(=O)N2CCC(C)(F)CC2)CCCCC1 634361655 LGKZWZCTTLBLNY-UHFFFAOYSA-N 267.388 3.864 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OCC(F)F)cc1 473695136 IGZDKYCLLLHYMO-UHFFFAOYSA-N 298.333 3.808 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2oc(C(C)C)nc2c1 806280043 IJIKDOLMLJTWGX-LBPRGKRZSA-N 299.374 3.875 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 475128843 KOUKRPLVXVOXBV-ZOBUZTSGSA-N 286.419 3.614 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1F)C(C)(C)C 808315908 NSSRGNCCBFUUKD-SWLSCSKDSA-N 290.382 3.576 30 20 CHED Cc1ccc(O)c([C@@H](C)NCC(C)(C)CCC#N)c1 806178080 OKECAPFRNOEVSV-CYBMUJFWSA-N 260.381 3.681 30 20 CHED CC(C)Oc1ccc(Cc2noc(CC(C)(C)C#N)n2)cc1 809318536 JMHQNLSREAJOGA-UHFFFAOYSA-N 299.374 3.540 30 20 CHED CCN(CCC1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 292640171 OIHYERCNSXRNKX-HNNXBMFYSA-N 286.419 3.758 30 20 CHED N#CCc1ccccc1NC(=O)c1cc2cc(F)ccc2o1 562895310 ZGPDEJYIQUZJDS-UHFFFAOYSA-N 294.285 3.890 30 20 CHED C#C[C@H](NC/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)(C)C 809781304 OKLFZVGZNBXUGL-ISBHARSQSA-N 286.375 3.636 30 20 CHED COc1ccc2c(c1F)CCC2=NNc1cccc(C)c1 807943478 GZSNAXXBRHDGSG-UHFFFAOYSA-N 284.334 3.905 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1Nc1nc(Cl)c(C#N)s1 804622702 FFFBFABUTOATHC-ZJUUUORDSA-N 299.827 3.674 30 20 CHED CC(C)c1cnc(SCCO[C@@H](C)C#N)n1C(C)C 801658616 ZJEPGTGTYLNYIJ-LBPRGKRZSA-N 281.425 3.608 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(Cn2cncn2)cc1 569410762 IRNIELHZFDIHQF-SFHVURJKSA-N 298.434 3.551 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1sc(C)nc1CC(C)C 806349371 GZQBUKVMQSCLTI-LBPRGKRZSA-N 293.436 3.573 30 20 CHED C=C(C)CN(CC)c1nc2ccccc2cc1[N+](=O)[O-] 473516613 CMRSMXWLGKLQJX-UHFFFAOYSA-N 271.320 3.545 30 20 CHED C=CC[C@@H]1N(C(=O)CC[C@@H]2CCCCO2)CCCC1(C)C 470296187 HYXIKYVQFCFOGN-HOTGVXAUSA-N 293.451 3.929 30 20 CHED Cc1ccsc1/C=C1\Cc2nc(Cl)ccc2C1=O 806578215 PCDHUUBZUHCBIH-VQHVLOKHSA-N 275.760 3.927 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)Cc1ccccc1Cl)C(C)(C)C 807882594 UREWBIRJDXWFDX-SWLSCSKDSA-N 291.822 3.683 30 20 CHED CCCC[C@@H](C)N(C)C(=O)C1(c2cccc(C#N)c2)CC1 564595730 BYKYSUFRHQUQNV-CQSZACIVSA-N 284.403 3.627 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2ccc(C)o2)CCCC1(C)C 565691760 WUYDOJJFCDJVLS-HNNXBMFYSA-N 275.392 3.724 30 20 CHED N#Cc1csc(C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)c1 809104018 JFIAYEOILBMAQM-OKILXGFUSA-N 283.352 3.723 30 20 CHED C=CCCCCNC(=O)C[C@H](C=C)c1ccccc1 471717433 QHBTVYJJCXEJKF-HNNXBMFYSA-N 257.377 3.819 30 20 CHED N#CCC1(CNC(=O)c2ccc(C3=CCCC3)cc2)CC1 562173027 RHBXYBAURZRKRV-UHFFFAOYSA-N 280.371 3.678 30 20 CHED Cc1cc(N2CCC(c3cccc(F)c3)CC2)c(C#N)cn1 819921103 PTKDOXDUPUDZEN-UHFFFAOYSA-N 295.361 3.785 30 20 CHED N#Cc1sc(NC(=O)c2ccccc2Cl)nc1Cl 813370302 JXFIYJBMCSEMKU-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C=CCCNCc1ccc(OC)c(O[C@@H](C)CC)c1 657582822 IFNOQTKNBZPQOE-ZDUSSCGKSA-N 263.381 3.538 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C)c(OC(C)C)c1 489531823 RXVONJOPQPMABC-UHFFFAOYSA-N 288.391 3.988 30 20 CHED C[C@@H]1C(=NNCC2(C)CCCC2)CC[C@@H](C(=O)O)C1(C)C 814937980 SWFLPVJEEMEXEF-OLZOCXBDSA-N 294.439 3.669 30 20 CHED C=CCc1cc(CN2CC[C@@H](C)[C@@H]2CC)cc(OC)c1O 482496230 OBZZRMXSMBBULM-CJNGLKHVSA-N 289.419 3.750 30 20 CHED N#Cc1cc(N2CC=C(c3ccc(Cl)cc3)CC2)ccn1 572389505 VGDGFESWRISNTH-UHFFFAOYSA-N 295.773 3.900 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(C)nn(C)c2Cl)cc1C 812487151 HLDIUDULYXBXGS-FPLPWBNLSA-N 288.778 3.895 30 20 CHED Fc1ccc(C(C[C@@H]2CCCO2)=NNc2ccccn2)cc1 811631821 OMHDVWPXWKHGEB-HNNXBMFYSA-N 299.349 3.606 30 20 CHED CO[C@@H](CSc1cccc(F)c1C#N)CC(C)C 572663459 PRBYSQRZGCVZTO-LLVKDONJSA-N 267.369 3.851 30 20 CHED C=CCOc1cccc(C=NNCCCc2ccccc2)c1 729146272 QVWCDFCKTQQHGC-UHFFFAOYSA-N 294.398 3.808 30 20 CHED C=CCCCC(=O)N1CCCc2cc(F)cc(C)c21 480853184 ORBRXXTZBQTQLS-UHFFFAOYSA-N 261.340 3.770 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(C)cc1C 816026720 ZDPPRSVDOODZON-UHFFFAOYSA-N 254.276 3.558 30 20 CHED C=CCC[C@@H](C(=O)Nc1ccnc(OC)c1)c1ccccc1 574314485 GZAISJWEDGRUTN-MRXNPFEDSA-N 296.370 3.779 30 20 CHED C#Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)CC)cn1 728805108 GPMNOKCXJYNXGV-OAHLLOKOSA-N 292.382 3.504 30 20 CHED C[C@H](C#N)OCCSC1CCC(C(F)(F)F)CC1 829931294 KRJARHSDWQFEQP-KPPDAEKUSA-N 281.343 3.769 30 20 CHED CCCN(Cc1c(F)cccc1Cl)C(=O)C#CC(C)C 821141752 XFVQMHQYPAVVFT-UHFFFAOYSA-N 295.785 3.877 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(N(C)C)c1C 666572814 ADCHFORROUAXOX-UHFFFAOYSA-N 289.423 3.927 30 20 CHED C=CCC1(NC(=O)Nc2cc(C)ccc2C)CCOCC1 665117326 BXIPUOLUEVPBEY-UHFFFAOYSA-N 288.391 3.550 30 20 CHED O=C(O)c1ccccc1NN=C(Cc1ccccc1)C1CC1 729143623 OMNQNZASBYGGSS-UHFFFAOYSA-N 294.354 3.805 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](C#N)C1CCCC1 829367414 DKNOTYXUCAGTMM-CQSZACIVSA-N 288.391 3.698 30 20 CHED C#Cc1cccc(N(CC)C(=O)/C=C/c2cccs2)c1 728480629 GOGSPGOCRLWFHH-ZHACJKMWSA-N 281.380 3.796 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc(OCC#N)cc1 588394034 MUSAZAUYUPXKIB-UITAMQMPSA-N 295.313 3.933 30 20 CHED C=CCn1cccc1-c1nc(Cc2ccc(C)cc2)no1 584435515 MJKNBZVDEDRWSY-UHFFFAOYSA-N 279.343 3.623 30 20 CHED N#Cc1ccc(OCCCON=Cc2cccc(F)c2)cc1 732193894 LNIVOLFKPCQYPZ-UHFFFAOYSA-N 298.317 3.517 30 20 CHED N#Cc1c[nH]cnc1=N[C@@H](c1ccccc1)C1CCCCC1 825584092 XEOAONCXELYKLR-KRWDZBQOSA-N 292.386 3.504 30 20 CHED CCCCN(C(=O)C#CC(C)C)[C@@H](C)c1ccc(C)o1 824587004 JJEBNLDMTHKHKX-HNNXBMFYSA-N 275.392 3.937 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H](c2ccncc2)C1 583543654 IGAUHMKUJZCXCH-KDOFPFPSSA-N 277.371 3.504 30 20 CHED CC(C)CCN(CCC#N)CC[C@H]1CC1(Cl)Cl 822664231 NACYXDGNKCJREL-LBPRGKRZSA-N 277.239 3.832 30 20 CHED CC(=O)c1ccccc1NC(=O)CC1(C#N)CCCCC1 666009424 QHUHHNARTGFOSS-UHFFFAOYSA-N 284.359 3.692 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc(-c2ccncc2)no1 904581065 USLUGWYQRPEHPI-HNNXBMFYSA-N 277.327 3.840 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1sccc1Br 903032824 ZDMOCLZTZZXFGJ-VIFPVBQESA-N 299.237 3.855 30 20 CHED CC[C@@]1(C)Oc2ccc(NC(=O)C#CC(C)(C)C)cc2O1 837570466 ZUEAKDGLBJLZMZ-KRWDZBQOSA-N 287.359 3.572 30 20 CHED C#CCOc1cccc(OC(=O)CCc2ccccc2C)c1 730500689 QHOGSANYAXNWLG-UHFFFAOYSA-N 294.350 3.545 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Cc1ccccc1CC#N 839893741 XWNVJAXGTINYGT-DLBZAZTESA-N 298.430 3.626 30 20 CHED COc1ccc(C)cc1COC(=O)[C@@]1(C#N)CC12CCCC2 837908818 MJNFSQJOXKOLKY-SFHVURJKSA-N 299.370 3.521 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2cc(OC)ccc2OC)no1 903968267 SIDFWFRRACOEMW-NSHDSACASA-N 288.347 3.509 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@@]23CCC[C@@H]2C3)CC1 581937397 FRSOSUNGUZTKJL-BDBCUOGTSA-N 288.435 3.791 30 20 CHED COc1ccc(C(=O)/C=C\c2cncn2C(C)C)cc1F 901440420 UFYOSBNFTOLHMH-WAYWQWQTSA-N 288.322 3.508 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N(C)c1ccc(-c2ccccc2)cc1 582885791 GPOVZPGHSMRNLP-LIRRHRJNSA-N 290.366 3.866 30 20 CHED COc1cc(C=NN[C@@H](C)C(F)(F)F)cc2ccccc12 834998332 FTFRIMLTTMPLDJ-JTQLQIEISA-N 296.292 3.723 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)CCCCCC#N 588631319 XCNOPMJTRNHKEA-AWEZNQCLSA-N 270.376 3.606 30 20 CHED C#CCC(C)(C)COC(=O)c1cc2ccncc2s1 835278317 BWXSRZSCLROWEF-UHFFFAOYSA-N 273.357 3.503 30 20 CHED CCCCCCCC(=O)NC[C@H]1OCCc2ccccc21 733118248 SOXVZDUAZURUON-QGZVFWFLSA-N 289.419 3.777 30 20 CHED CCC#C[C@H](C)N(C)Cc1ccc(Br)s1 677047870 IKPXNKJSOYMFDI-JTQLQIEISA-N 286.238 3.744 30 20 CHED CCO[C@@H]1CC(=NNc2cc([N+](=O)[O-])ccc2C)C1(C)C 736430720 FTFLNUARJVOWOY-CQSZACIVSA-N 291.351 3.506 30 20 CHED CC(C)[C@@H]1C[C@H](NCC2(C#N)CC2)c2ccccc21 903106877 XSWMJNMIMSFNNO-HOTGVXAUSA-N 254.377 3.764 30 20 CHED Cc1cccc(CNc2ccc(OC(C)C)c(C#N)c2)n1 834566350 KTFWDKNZTVBTHU-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC1CCC(=CC(=O)OCc2ccc(OCC#N)cc2)CC1 734204749 XZCJATKUONIKHH-UHFFFAOYSA-N 299.370 3.769 30 20 CHED CCn1cc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cn1 732531355 YBPXRZPPCJYWKC-HJWRWDBZSA-N 279.343 3.589 30 20 CHED Cc1cccc(C2(C(=O)NCC(C)(C)CCC#N)CCC2)c1 588770871 VVMBBEXJSVMYJW-UHFFFAOYSA-N 298.430 3.863 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C(=O)O)c(C)cc1F 911681639 NRNMGGIWUBJMDG-UHFFFAOYSA-N 291.322 3.539 30 20 CHED C=CCCC(=O)Nc1ccc(-c2ccccc2)cn1 588088527 YZRAQMXHZZLVNS-UHFFFAOYSA-N 252.317 3.653 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(C(=O)C#CC(C)(C)C)[C@@H]2C 837521571 CXXDFHYEMZRQLX-UONOGXRCSA-N 299.414 3.579 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1oc2ccccc2c1C 915987256 BBOAEMCBVZVHCG-HJWRWDBZSA-N 280.327 3.977 30 20 CHED Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)cc1 837432086 XOLCVYIGWXQSLM-DNVCBOLYSA-N 281.399 3.708 30 20 CHED COc1cccc([C@@H](C)/N=C\c2c(O)cccc2OC)c1 917558627 RXLKOICSALDABK-OTWJJXBCSA-N 285.343 3.590 30 20 CHED Cc1csc(NC(=O)N2CCC3(CCCC3)C2)c1C#N 847184407 AAIAGRQKBUEYMA-UHFFFAOYSA-N 289.404 3.726 30 20 CHED N#CC1(CC(=O)OCc2cccs2)CCCCC1 849907196 WXZRQQUIFXCVEM-UHFFFAOYSA-N 263.362 3.655 30 20 CHED C=CCCS[C@@H]1CCCN(c2ccc(C)cc2)C1=O 742970423 HTKXPGVMOYKSBF-OAHLLOKOSA-N 275.417 3.800 30 20 CHED CCCCCC[C@H](C)NC(=O)c1ccc(C#N)s1 749340162 JEMYCRWVCGOEHN-NSHDSACASA-N 264.394 3.708 30 20 CHED CC(C)N(Cc1cccs1)C(=O)C#Cc1ccccc1 747365315 KANXEAFTFYHREV-UHFFFAOYSA-N 283.396 3.537 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccccc1OC1CCCC1 844513083 GRCBXKZOJKIVBS-GFCCVEGCSA-N 290.363 3.636 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)Cc2ccsc2)c1O 918711916 BXTCQLYUWZXRQA-NJPLLEPOSA-N 289.400 3.903 30 20 CHED Cc1cc(C)c(C/N=C\c2cccc(O)c2O)c(C)c1 745623849 BUUHLUAFQCDRPV-NVMNQCDNSA-N 269.344 3.642 30 20 CHED C[C@H](C#N)N(Cc1c(Cl)oc2ccccc12)C1CC1 598626776 KDZROYXTTAHACR-SNVBAGLBSA-N 274.751 3.963 30 20 CHED Cc1ccc(C=Nn2c(S)nnc2C(C)C)c(Cl)c1 844568321 WZPSHXRJJGLPSM-UHFFFAOYSA-N 294.811 3.534 30 20 CHED Cc1cc(C(=O)/C=C\c2c(C)noc2C)cc(C)c1F 741467171 KQPYXUWAUFNISV-WAYWQWQTSA-N 273.307 3.943 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)Nc1ncccc1C#N 596318222 RIXQKUCZVQBXHX-HNNXBMFYSA-N 269.323 3.526 30 20 CHED CCON=Cc1cc(OC)c(OC)cc1-c1ccccc1 915271512 YSEUTNQJPMFTCS-UHFFFAOYSA-N 285.343 3.741 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC3(CCc4ccccc4O3)CC2)C1 595829559 WCKVJEQPJGJQMV-DOTOQJQBSA-N 296.414 3.538 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ncnc2sccc12 747755233 NMGGRUJZUYNQPT-JTQLQIEISA-N 274.393 3.915 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1cccc(F)c1 916249578 ZZUOETZCOXZPQV-UHFFFAOYSA-N 273.267 3.570 30 20 CHED N#Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)C2)cc1 590060873 DABJISMSNLNHQV-UHFFFAOYSA-N 294.329 3.830 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 913674832 JORXXMGBDHLJCS-GFCCVEGCSA-N 299.757 3.727 30 20 CHED CC[C@@H](C/N=C\c1c(O)cccc1OC)CC(F)(F)F 840712690 KUNCXRGYOPPAQT-PQQLAPNWSA-N 289.297 3.798 30 20 CHED Cc1ccsc1C=NNc1oc(C(C)(C)C)nc1C#N 746498549 USRXERZIGIALED-UHFFFAOYSA-N 288.376 3.660 30 20 CHED C=CCOC(=O)c1csc(C2CCCCC2)n1 840663847 AWYUHAFEDZLILB-UHFFFAOYSA-N 251.351 3.534 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)NCC(C)(C)CCC#N 599940816 CFRXMFSTZUROPG-OAHLLOKOSA-N 286.419 3.620 30 20 CHED Cc1nn(C)c(C)c1C=NNc1cccc(C(F)(F)F)c1 916260190 RRSSGLBUCGABSB-UHFFFAOYSA-N 296.296 3.502 30 20 CHED CCO[C@@H]1CC(=NN[C@@H](C)c2ccccc2)C12CCC2 741162212 BECZJKIGNGHWDP-XJKSGUPXSA-N 272.392 3.672 30 20 CHED C#CCNC(=O)Nc1cccc(CSC2CCCC2)c1 741071797 FONMMTHEYVQMKA-UHFFFAOYSA-N 288.416 3.617 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C2CCC2)C1 591338796 HRUQWXXGZMTWRB-OAHLLOKOSA-N 283.375 3.521 30 20 CHED C=CCN(C)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 681673995 FBQLXTJCKQEVBV-UHFFFAOYSA-N 285.318 3.876 30 20 CHED C=CCCSCCNC(=O)CCc1cccc(Cl)c1 597970063 ADWAMAVILADDLN-UHFFFAOYSA-N 297.851 3.698 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCC[C@@H](C3CC3)C2)cc1 742376969 JJPPZLMPIAJYFW-QZTJIDSGSA-N 283.415 3.757 30 20 CHED CC(C)c1ccc(C(=O)N(C2CC2)[C@H](C)C#N)cc1Cl 598137901 ORLDSVLUCBQJRH-LLVKDONJSA-N 290.794 3.980 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C(C)c1ccc(C)cc1 746680083 PJSONPQFKIKCAM-UHFFFAOYSA-N 299.330 3.748 30 20 CHED Cc1cc(C)cc(C=NNc2nc3ccccc3[nH]2)c1 921253273 LUXOUVSTECSRKQ-UHFFFAOYSA-N 264.332 3.626 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1ccc(O)c(F)c1)C2=O 755589412 SPVKFRUIRVWQAW-QPEQYQDCSA-N 298.313 3.807 30 20 CHED C=CCCSCCN[C@H](C)c1cc(F)cc(F)c1O 850503025 ZXIZWLYODOORAK-SNVBAGLBSA-N 287.375 3.630 30 20 CHED COc1cccc(O)c1C=Nc1ccc2c(c1)CCCN2C 920754589 APFKQMNAYMANDZ-UHFFFAOYSA-N 296.370 3.534 30 20 CHED C#CC[C@H](NC(=O)/C=C\c1ccccc1)c1ccccc1 757601595 ZZULUHJJYSEPEM-OUFNUQFJSA-N 275.351 3.581 30 20 CHED CCCCCCOc1ccc(CNCCC#N)cc1 920956703 PCSRBZAAKVBHKM-UHFFFAOYSA-N 260.381 3.649 30 20 CHED CC(C)c1cccc(C(=O)OCc2ccccc2C#N)c1N 920558766 QOEZOSGRSKTLIB-UHFFFAOYSA-N 294.354 3.621 30 20 CHED Cc1cc(NN=Cc2ccco2)ccc1Br 920479922 WPQNPYCPUGPVMI-UHFFFAOYSA-N 279.137 3.797 30 20 CHED CCCCC(COC)=NNc1nc(C(F)(F)F)cs1 755904955 QOYCCZWOMNZXTD-UHFFFAOYSA-N 295.330 3.766 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccc(CCC)cc1 752234435 SQFJCOJYBLYZRX-CYBMUJFWSA-N 262.349 3.526 30 20 CHED Clc1ccc(NN=C[C@H]2CCOc3ccccc32)cn1 752166885 ZUFJGZJFTQRXKT-LLVKDONJSA-N 287.750 3.699 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(C#N)cc1 929941989 KHAGTGPSLRJGKT-UHFFFAOYSA-N 296.370 3.687 30 20 CHED CC(C)CN(CCCCCCO)Cc1ccc(C#N)cc1 750177215 CRLCXYAAHNUPTA-UHFFFAOYSA-N 288.435 3.569 30 20 CHED Cc1cc(CNc2cnn(C3CCCC3)c2)ccc1C#N 922623804 ZCMWENZHFCVNSF-UHFFFAOYSA-N 280.375 3.790 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)c1cc(C#N)cs1 752174685 QJYKMTLKCVZQTA-NSHDSACASA-N 271.341 3.846 30 20 CHED C#CCCCC(=O)OCc1csc2ccccc12 759183849 YSBNETSWNJKFHL-UHFFFAOYSA-N 258.342 3.748 30 20 CHED C(=NNc1cccc2ccccc12)c1cnc2ccccn12 755681158 UTYNJVOFZNKHSD-UHFFFAOYSA-N 286.338 3.934 30 20 CHED N#Cc1cc(C(=O)OCc2ccc(F)cc2)ccc1Cl 754000535 ONNYVARKTJNKOF-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CC(C)c1ncc(/C=C2\Oc3cc(O)ccc3C2=O)s1 758430969 TVIONHWNPKVXSO-MLPAPPSSSA-N 287.340 3.588 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1csc(Cl)c1 851207088 SJLHGZZOWHGVGR-MRVPVSSYSA-N 271.769 3.887 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](c2ccccc2)C1 935787056 JJGGFKIKQJABFZ-BPUTZDHNSA-N 257.377 3.651 30 20 CHED C#CC[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)C1CC1 750778430 OMTQCLTXZYKNAN-ZDUSSCGKSA-N 287.746 3.780 30 20 CHED C=CCN(Cc1ccn(-c2ccc(F)cc2F)n1)C(C)C 753705611 PUUVTMHOBSUONP-UHFFFAOYSA-N 291.345 3.547 30 20 CHED C=C(Br)CN1CC=C(C(C)(C)C)CC1 759269470 TYRBZSVXFDKVTH-UHFFFAOYSA-N 258.203 3.573 30 20 CHED C#CCC[C@H](C)OC(=O)/C=C/c1ccc(SC)s1 860826108 TYVBFQSPJITKKT-DJYGCBNOSA-N 280.414 3.828 30 20 CHED C#CCCCCc1nc(-c2cnc3ccccc3c2)no1 761615411 SYXPHHHXQQWRRK-UHFFFAOYSA-N 277.327 3.631 30 20 CHED CC(=NOCC(F)(F)F)c1ccc(Br)cc1 764836518 VJNVMUOWSGDFII-UHFFFAOYSA-N 296.086 3.752 30 20 CHED C#CCCCNc1ccc(OC(F)F)c(Cl)c1 766731375 OMRDJYUVJFDINN-UHFFFAOYSA-N 259.683 3.767 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1cc(C)oc1C 768376149 REACGUHWNCFAMX-UHFFFAOYSA-N 288.738 3.653 30 20 CHED COC1CC(ON=Cc2cccc(Cl)c2Cl)C1 863454797 ZYDQVPDBVNDYQD-UHFFFAOYSA-N 274.147 3.521 30 20 CHED C#CCCCCNCc1ccccc1OCCCC 766437250 LZQOFYUTAMCLAM-UHFFFAOYSA-N 259.393 3.759 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1cnnc2ccccc12 766019697 ITSNNKRCFQHFQS-NSHDSACASA-N 268.364 3.854 30 20 CHED C#CCCc1noc(-c2cc(C(C)C)nc3ccccc23)n1 762008867 IPGZVZIWJXCWEM-UHFFFAOYSA-N 291.354 3.974 30 20 CHED C[C@H]1C(=NNc2cccc(F)c2Cl)CC[C@@H]1CC(=O)O 863158405 AAPVYADBNXDMCN-RKDXNWHRSA-N 298.745 3.768 30 20 CHED C#CCCCCc1nc(-c2cccc(CSC)c2)no1 761960743 KSXONJUSWVIRFZ-UHFFFAOYSA-N 286.400 3.946 30 20 CHED C#CCCN1CCN([C@H](C)c2ccc3ccccc3c2)CC1 762294972 UQXNWICKBJXBRU-QGZVFWFLSA-N 292.426 3.542 30 20 CHED C#C[C@@H](NCc1ccc(-c2ccsc2)cc1)[C@@H]1CCCO1 769787917 FCPFDZNFPJZWIE-MSOLQXFVSA-N 297.423 3.686 30 20 CHED CC(CCc1ccco1)=NNCCc1ccccc1F 764724335 VYHTXUVYNZTHNW-UHFFFAOYSA-N 274.339 3.560 30 20 CHED N#CCCSCC(=O)Nc1cc(Cl)ccc1Cl 58256314 DWJDZHMXXJPJMC-UHFFFAOYSA-N 289.187 3.579 30 20 CHED CCCCCCCNC(=O)c1csc([C@@H]2CCCO2)n1 862358222 YKEHWBSOUXPJKU-ZDUSSCGKSA-N 296.436 3.695 30 20 CHED CCCCCCOC(=O)CSCc1ccc(C#N)cc1 58238295 SKCFWXDSQUYXTF-UHFFFAOYSA-N 291.416 3.915 30 20 CHED Cc1ncsc1CSCc1ccc(C#N)cc1F 1117647371 BWTOKRVZVDDLHU-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Oc2ccc(C#N)cc2)C1 779706048 KUIFGPWHJXBDJM-IMRBUKKESA-N 257.333 3.536 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2cscc2C)c1 775233763 GSUZVHNWEMKSJB-FRKPEAEDSA-N 275.373 3.780 30 20 CHED COC(=O)c1ccc(C=NOCc2ccc(C)c(C)c2)cc1 1116788909 NYPHESPBMGSLRY-UHFFFAOYSA-N 297.354 3.641 30 20 CHED CCCCC[C@H](CC)C(=O)N[C@@H](C#N)C(C)(C)C 775771404 NRSUEPMIOZVNAE-STQMWFEESA-N 252.402 3.647 30 20 CHED C=C(CC)CN1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 773448857 TWZHAVNOKHMPCE-HUUCEWRRSA-N 296.455 3.578 30 20 CHED CCOCCON=C(C)c1oc2ccc(OC)cc2c1C 774436510 TWVMCQXCBCHIEZ-UHFFFAOYSA-N 291.347 3.527 30 20 CHED C=C(Cl)CN[C@H](C)c1cnn(-c2ccccc2)c1C 773003927 IRUQAHJZIWOAMT-GFCCVEGCSA-N 275.783 3.584 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(CF)cc1 777541023 LHJQTBTYTXMDJT-UHFFFAOYSA-N 270.307 3.648 30 20 CHED CC(=NOC1CCOCC1)c1ccc(OC(C)(C)C)cc1 774437597 QHXMNBLZGWYPPT-UHFFFAOYSA-N 291.391 3.784 30 20 CHED N#Cc1cccc(-c2nnc(-c3cccc(F)c3F)o2)c1 1117261182 KUKQRCMWHCZTDW-UHFFFAOYSA-N 283.237 3.553 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H](C)c1cccc(C)c1 775939538 UURBUOBKRAYBPL-HNNXBMFYSA-N 293.366 3.749 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(C#N)cc2Cl)c(C)n1 1127110705 FEOQAJBUVFAKCW-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1csc(N)n1 779825261 QOXDWVDWRKUWEJ-UHFFFAOYSA-N 288.420 3.859 30 20 CHED Cc1ccc(Cl)c(OC(=O)Cc2ccccc2CC#N)c1 776741289 FHNGVIMZWNGYEV-UHFFFAOYSA-N 299.757 3.863 30 20 CHED C[C@H](CNc1ccc(F)cc1OCC#N)c1ccccc1 775055902 GJKUNGOZFRJCFY-CYBMUJFWSA-N 284.334 3.944 30 20 CHED C=CCC[C@@H](C(=O)OCCOC1CCC1)c1ccccc1 778663863 AYOJDWFBVISHJE-QGZVFWFLSA-N 288.387 3.849 30 20 CHED C#CCCCCCC(=O)NC1CC(c2ccccc2)C1 779902736 SAGNQZLZOCILOF-UHFFFAOYSA-N 269.388 3.633 30 20 CHED CCOc1ccccc1[C@H](CC)Nc1cc(C#N)nc(C)n1 881898737 NRYRBNKDONFFIV-HNNXBMFYSA-N 296.374 3.619 30 20 CHED Cc1cc(N[C@H](C)c2ncccc2C)c(C#N)cc1[N+](=O)[O-] 1120978056 HOIAULUXYJPDLQ-GFCCVEGCSA-N 296.330 3.651 30 20 CHED CCC(C)(CC)C(=O)OCc1ccc(C#N)c(C)c1 784754800 GCRRGLPTSXKWMJ-UHFFFAOYSA-N 259.349 3.736 30 20 CHED C=CCC[C@H](C)N[C@H](C(C)C)[C@@H](O)c1ccccc1 788623183 VKITVECYCATZOC-UAGQMJEPSA-N 261.409 3.689 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCSC(C)(C)C 785862962 KDZHGEARJDUFDG-CYBMUJFWSA-N 269.454 3.865 30 20 CHED CC(C)c1ncc(/C=C/C(=O)c2cncs2)s1 787171511 AIEZEJKGNXIBRJ-ONEGZZNKSA-N 264.375 3.619 30 20 CHED Cc1ccc(C)c(NC(=S)N2CCC(CC#N)CC2)c1 781548125 TXILAXAGUYCBEA-UHFFFAOYSA-N 287.432 3.626 30 20 CHED C=C[C@@H]1CCCCN1Cc1cccc(Cl)c1O 787310582 OZYCMTMTTLUSIG-GFCCVEGCSA-N 251.757 3.586 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2ncccc2c1 783249768 NWWOYPAAHIWKQM-UHFFFAOYSA-N 282.343 3.722 30 20 CHED COc1ccc(NN=C2CC(c3cccc(F)c3)C2)nc1 780268375 IBFSJYSYIKACOO-UHFFFAOYSA-N 285.322 3.575 30 20 CHED C=C(Cl)CN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C 782097364 JHCNRBHCQFLARB-VXGBXAGGSA-N 265.784 3.755 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CCCCC 786838507 QMLFXIULGPNLCE-ZIAGYGMSSA-N 252.402 3.705 30 20 CHED CC(C)(C#N)CCNc1ccc(Br)c(F)c1 83826543 XWEQYISXERWEDB-UHFFFAOYSA-N 285.160 3.940 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NNc2ccccn2)C1 780196814 ALOBPJITEJXHKB-QGZVFWFLSA-N 265.360 3.991 30 20 CHED C#CCC(C)(C)C(=O)Oc1cccc(C)c1Cl 785431383 CPUMQGJNQQFQEG-UHFFFAOYSA-N 250.725 3.603 30 20 CHED CCCCCCCCCCn1cnc2cnccc2c1=O 782284503 AZDOFROCFSKHGK-UHFFFAOYSA-N 287.407 3.932 30 20 CHED Cc1ccnc(NN=C2CC(c3cccc(F)c3)C2)c1 781592863 LJSJOAVMWIUUGX-UHFFFAOYSA-N 269.323 3.875 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)[C@H](C)CC)c1ccccc1 780012225 BDJOCOUGCAUATE-YCPHGPKFSA-N 257.377 3.549 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2ccc([N+](=O)[O-])cn2)C1 783826945 IYUHEUFIWDEKEJ-VXGBXAGGSA-N 276.340 3.604 30 20 CHED C=CCCC(=O)O[C@@H](c1ccncc1)c1cccc(OC)c1 782449139 MIMXMUJUPWRHIS-SFHVURJKSA-N 297.354 3.689 30 20 CHED Cc1ccc([C@H]2CCCC2=NOC[C@H]2CCOC2)cc1 788030585 OXCBCJXPOBJIRK-GOEBONIOSA-N 273.376 3.672 30 20 CHED C=CCCC(=O)N1CCC2(CC1)C(C)=Nc1ccccc12 898242748 TYRJCBJXUGTQGU-UHFFFAOYSA-N 282.387 3.619 30 20 CHED CCCCN(C(=O)c1ccc(C)c(C#N)c1)[C@H](C)CC 799307637 RAUVPPDCFDAYFA-CQSZACIVSA-N 272.392 3.908 30 20 CHED COc1cccc(/C=C2/Oc3cc(F)ccc3C2=O)c1F 799891557 GLMGVFXIEOYBEN-VGOFMYFVSA-N 288.249 3.590 30 20 CHED CC#CCN(C)Cc1csc(C2CCCCC2)n1 550127436 AKAMARITLOEOLH-UHFFFAOYSA-N 262.422 3.646 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccccc2CC#N)C1 794347218 KCFWWDFRRRIODH-KRWDZBQOSA-N 298.430 3.580 30 20 CHED CCSc1cccc(C=NNc2cccc(F)n2)c1 795006862 NUFSAIIBRHMRIW-UHFFFAOYSA-N 275.352 3.779 30 20 CHED Cc1ccc(C(=O)NCc2cc3ccccc3o2)cc1C#N 799311460 VRJBHGRSLVYRRK-UHFFFAOYSA-N 290.322 3.543 30 20 CHED C#CC[C@H](N=c1cc[nH]c(C)c1Cl)c1ccccc1 798396483 WEMQDBFCJFFVHN-AWEZNQCLSA-N 270.763 3.642 30 20 CHED Cc1ccc(C(=O)Nc2sccc2C#N)c(Cl)c1 191457959 WOXQMXIMHFLXKT-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC(C)[C@@H](C=NOC1CCCC1)CNC(=O)OC(C)(C)C 794526420 LSMZVZAMTMXQHL-CYBMUJFWSA-N 298.427 3.728 30 20 CHED C=CCC[C@@H](C(=O)O[C@@H](C)c1ccnn1C)c1ccccc1 791933568 BSDFWCMHHSPLNA-GOEBONIOSA-N 298.386 3.774 30 20 CHED COc1ccc(C=Nn2cnc3ccccc32)c(Cl)c1 794773520 JZKDBZLQYXUIBG-UHFFFAOYSA-N 285.734 3.581 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 791205653 VFDORPLKKMJARX-AYOQOUSVSA-N 291.394 3.861 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccc(C(C)C)cc1 794700607 WSZJVGNCZNDOAT-KTKRTIGZSA-N 268.360 3.748 30 20 CHED C=C(Cl)CN(C)C[C@H]1CCCO[C@H]1c1ccccc1 747969629 RHJNEDMNEMZQIY-CVEARBPZSA-N 279.811 3.839 30 20 CHED COc1cccc2cc(C(C)=NNc3ncccc3F)oc12 794990685 RDTJIOGRMVBPQW-UHFFFAOYSA-N 299.305 3.812 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)NCC1(CC#N)CC1 797565951 NRHNTKBSVKAKBR-ZRDIBKRKSA-N 288.778 3.553 30 20 CHED N#Cc1ccc(C(=O)OCCCC2CCCCC2)o1 796773851 ABZRIOWAXXTPKS-UHFFFAOYSA-N 261.321 3.669 30 20 CHED Cc1cc(Cl)nc(CNc2ccc(F)cc2C#N)c1 799965278 CIVWPOPSYGPARF-UHFFFAOYSA-N 275.714 3.666 30 20 CHED COc1ccccc1CON=CCCc1ccc(C)nc1 799118786 UWLLGLDCHMRVOZ-UHFFFAOYSA-N 284.359 3.534 30 20 CHED CCCCCCCCC(=O)N1C[C@@H](O)Cc2ccccc21 790156322 NQSRLMNJQGWGQH-INIZCTEOSA-N 289.419 3.687 30 20 CHED Cc1ccc([C@H](O)[C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 797061014 MRSWAPOTWKNHAF-SPYBWZPUSA-N 294.398 3.639 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2)s1 77207525 DTDWRVFVWQHWID-UHFFFAOYSA-N 256.374 3.560 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCc2ccccc21 695812311 NJQGNIKEXVUAPC-XJKSGUPXSA-N 256.393 3.982 30 20 CHED COc1cccc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)c1 695817257 SDUMCCXIKQXSAO-QWHCGFSZSA-N 260.381 3.674 30 20 CHED CCC[C@H](C#N)NC(=O)c1sccc1-c1ccccc1 92007501 KVDVNZPSGKYOQI-CYBMUJFWSA-N 284.384 3.837 30 20 CHED CCC[C@]1(C)CCCN(c2cc(C)ncc2C#N)C1 1162631862 VMBJRUWDTHLMJX-MRXNPFEDSA-N 257.381 3.668 30 20 CHED CC[C@@H](C)[C@H](Sc1ccc(Cl)cc1C#N)C(=O)OC 1165764986 XPQRDDLEIQBINJ-RNCFNFMXSA-N 297.807 3.891 30 20 CHED N#Cc1ccc(NC(=O)c2cnn(C3CCCCC3)c2)cc1 1318472603 LOBOXNBMFXOOHV-UHFFFAOYSA-N 294.358 3.512 30 20 CHED N#CCCCSCc1cn2cc(Cl)ccc2n1 1321022567 DDDFMECSLWAYST-UHFFFAOYSA-N 265.769 3.525 30 20 CHED N#CCc1cccc(N[C@@H](Cc2ccccc2)C2CC2)n1 1320359044 FBGAUHPTKCLYJV-KRWDZBQOSA-N 277.371 3.581 30 20 CHED CCCCCCCCOCc1nnc(C2CC2)o1 1322309288 DWMTZCAZBMXCLW-UHFFFAOYSA-N 252.358 3.824 30 20 CHED CCC[C@H](NCc1cccc(OCC#N)c1)c1cccnc1 1320252673 IQPXRANUZSIQPY-SFHVURJKSA-N 295.386 3.615 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H]3CCCC[C@@H]3C2)c1C#N 1320030157 POOMDFRAGFJDPO-QWHCGFSZSA-N 289.810 3.932 30 20 CHED Cc1cc(C)c2c(c1)CCN(c1cccc(F)c1C#N)C2 1337520107 QFQYFFRQKDZKMD-UHFFFAOYSA-N 280.346 3.877 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1nccc2ccccc12 1337551947 SUYSZKLFYBIWDA-OAHLLOKOSA-N 280.371 3.806 30 20 CHED C=C(C)CCC(=O)Nc1cc(F)ccc1NC1CC1 1336025274 ORQJKHKFQFLSNQ-UHFFFAOYSA-N 262.328 3.695 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1oc2ccc(OC)cc2c1C 1255019790 UHUQBBKZGPNMAT-QWHCGFSZSA-N 289.375 3.601 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(N2CCCC2)c1 1332999773 ULJAMKQEJKTRAU-AWEZNQCLSA-N 272.392 3.828 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(C#N)c2)cc1C 1349704253 OKAIRWONRDGAOZ-ZWKOTPCHSA-N 290.366 3.917 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1ccccc1 1349864823 SFDLCJQRECVPSS-INIZCTEOSA-N 257.377 3.576 30 20 CHED CCc1ccc(N[C@@H]2CCc3cc(C#N)ccc32)nc1 1515704656 ZKGDAQLRJUVCBK-MRXNPFEDSA-N 263.344 3.615 30 20 CHED C[C@H](CCNC(=O)c1ccc(C#N)cc1)CC(C)(C)C 1516247200 HSBVGYOVGKQYEN-CYBMUJFWSA-N 272.392 3.750 30 20 CHED C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccoc1 1518102777 UTGVSMVVPFWOKR-LBPRGKRZSA-N 299.326 3.613 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1ccc(C#N)c(Cl)c1 110484429 GGIXIGHISLCMFV-ZWNOBZJWSA-N 264.756 3.581 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)O)cc1F 1602855678 XCZNBXQVJJHOJN-WBMJQRKESA-N 291.366 3.748 30 20 CHED CCc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)CCO2 1462051345 OAANBUJKMAXGFK-BFYDXBDKSA-N 284.403 3.745 30 20 CHED O=C(O)CCC[C@@H]1CCCC(=NOC2CCCC2)C1 1601980931 VHERVPIWYNCHPQ-LBPRGKRZSA-N 267.369 3.747 30 20 CHED N#Cc1sccc1C(=O)OCc1cccc(C(F)F)c1 1538789853 TUUNYEFDGAASNF-UHFFFAOYSA-N 293.294 3.914 30 20 CHED C=CCCCCCCNC1CCC(CC(=O)O)CC1 1602870749 SFJZKKKPUIJFLB-UHFFFAOYSA-N 267.413 3.746 30 20 CHED Cc1cc(=NC[C@H](c2ccccc2)C(C)C)c(C#N)c[nH]1 1611779760 XLUSNGHDRXNIKV-KRWDZBQOSA-N 279.387 3.535 30 20 CHED CCCCCCC[C@@H](C)NCc1c(C)nn(C)c1C 118473396 GUYIMLYCCFKJFC-CYBMUJFWSA-N 265.445 3.876 30 20 CHED Cc1cc(N2CCc3ccc(Cl)cc32)ncc1C#N 1559128370 RISGNWVDJJAVLS-UHFFFAOYSA-N 269.735 3.609 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1 1558418850 YJQRSNSAEAICEY-LMLQULGWSA-N 269.388 3.507 30 20 CHED CCc1nc(C#N)cc(NC(C)(C)Cc2ccccc2C)n1 1639593831 JMWDEYMQIOOXLK-UHFFFAOYSA-N 294.402 3.652 30 20 CHED CCN(CCC#N)c1nc2c(C)c(C)ccc2s1 1639557846 BFFHOFZJCOQFLN-UHFFFAOYSA-N 259.378 3.653 30 20 CHED C=CCN[C@H](CC)c1cc(F)cc(Br)c1 308913843 FIRHQXFQUPCGKA-GFCCVEGCSA-N 272.161 3.815 30 20 CHED Cc1cccc(F)c1NCc1cccc(C#N)c1F 230055416 QDNUOQMSNMWVOX-UHFFFAOYSA-N 258.271 3.757 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1sccc1C#N 1584200649 OWUGXKPOHQNWEE-JTQLQIEISA-N 287.340 3.546 30 20 CHED CC(C)c1cccc(C(=O)NCc2ccc(C#N)c(F)c2)c1 1585056974 JLIMZHAMXWKZIW-UHFFFAOYSA-N 296.345 3.751 30 20 CHED CC[C@@H](c1ccccc1)N(CC)c1cc(C#N)nc(C)n1 1655055689 SITSLDAKKKXRGM-INIZCTEOSA-N 280.375 3.634 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc3occc3c2)cc1 1588225759 JFHGTQMMJOVCHR-UHFFFAOYSA-N 276.295 3.751 30 20 CHED Cc1cc(C#N)cc(NCc2ccccc2N(C)C)c1 1658119338 ICLGJQUSLIISOL-UHFFFAOYSA-N 265.360 3.545 30 20 CHED N#Cc1cc2ccccc2nc1NCCC1CCC1 122973359 BZBCXHKEVMIVBT-UHFFFAOYSA-N 251.333 3.709 30 20 CHED CC(C)CC(CC(C)C)C(=O)Nc1cccc(C#N)n1 1585912102 BWUCXTFOKNTQQF-UHFFFAOYSA-N 273.380 3.600 30 20 CHED CCCCCCCCN(C)Cc1ccc(C(=O)O)cn1 1595704755 YMHJXIATIUUSAN-UHFFFAOYSA-N 278.396 3.572 30 20 CHED CCCC[C@@H](CCC)CNC(=O)Nc1ccc(C#N)cn1 1672086663 JTBGUOZYGYSZCK-CYBMUJFWSA-N 288.395 3.681 30 20 CHED C[C@@H]1CC(=NNc2ccccc2C(=O)O)c2ccccc21 1776032175 QJDLNSIUMLDZKS-LLVKDONJSA-N 280.327 3.708 30 20 CHED O=C(O)c1cc(/C=C\C(=O)c2ccc(F)cc2F)cs1 1776125377 GXTYQOJHIPTYGZ-RJRFIUFISA-N 294.278 3.621 30 20 CHED CCCCCCC[C@H](C)CNc1ncncc1C(=O)O 1776782290 CHUABTIUJBZVBJ-LBPRGKRZSA-N 279.384 3.583 30 20 CHED C=CCC(C)(C)CCNc1ncnc2cc(C(=O)O)ccc12 1776150770 MWCTVFUCGDUUSC-UHFFFAOYSA-N 299.374 3.732 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@H](C)c2ccccc2F)C1 1776154197 YTHLDMZQJBQIIC-CXAGYDPISA-N 291.366 3.630 30 20 CHED N#Cc1ccc(COC(=O)/C=C/c2ccsc2)c(F)c1 11539049 DBVKZMUAFGFPMM-DUXPYHPUSA-N 287.315 3.515 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 162869522 FUBWHLMAYAPLPW-GFCCVEGCSA-N 262.784 3.834 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)c1 160141124 REPQHGNNFBFBMF-ZIAGYGMSSA-N 288.391 3.761 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)n(C)n1 164025120 QUZBXOKCHAMZOC-MDZDMXLPSA-N 268.360 3.748 30 20 CHED CC(C)(C#N)CNCc1ccc(Cl)cc1Cl 164676203 QJQMOSSLYUQMJC-UHFFFAOYSA-N 257.164 3.633 30 20 CHED C#CCCCCNC(=O)Nc1ccc2oc(C3CC3)nc2c1 151828258 HIUIYLPUBPKGPF-UHFFFAOYSA-N 297.358 3.630 30 20 CHED Cc1cscc1NC(=O)CSc1ccc(C#N)cc1 154185870 YPVIOTLQNYKFNF-UHFFFAOYSA-N 288.397 3.659 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)[C@@H](N)c1ccccc1 159187572 NNZRUGYSKUMGKK-NVXWUHKLSA-N 288.435 3.527 30 20 CHED C[C@](CC=O)(C(=O)C1CCCCC1)c1ccccc1 36431336 VMWJZMSNIHEFEC-QGZVFWFLSA-N 258.361 3.683 30 20 CHED COc1cc(CNc2cc(C)ccc2F)ccc1C#N 234898432 BOEINDFGSNNLBB-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC[C@H]1CN(CCCCC(C)(C)C#N)CCS1 234193801 ZQGOFUBINBBWMY-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED Cc1cc(Cl)ccc1OC[C@H](O)c1ccc(C#N)cc1 152867385 QGUPZHKYTWIOLC-HNNXBMFYSA-N 287.746 3.633 30 20 CHED COc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 37215549 SZUUQPCYDLAHMK-LBPRGKRZSA-N 252.317 3.740 30 20 CHED CC1(C#N)CCN(c2ncc(Cl)cc2Cl)CC1 286650142 XSKYUFSFWOZDNC-UHFFFAOYSA-N 270.163 3.518 30 20 CHED N#Cc1cc(F)cc(OCc2csc(C3CC3)n2)c1 289660519 OMGIVOQUJZXCPI-UHFFFAOYSA-N 274.320 3.610 30 20 CHED COC1(CCNc2cccc(Cl)c2C#N)CCC1 311190716 COYYTXGXSKYXHU-UHFFFAOYSA-N 264.756 3.583 30 20 CHED Cc1ccccc1CCNc1nc(C)c(C#N)cc1Cl 312529897 JTGBCSKEFYDFRO-UHFFFAOYSA-N 285.778 3.878 30 20 CHED CC(C)(CC#N)CNC(=O)c1cc(Cl)cc(Cl)c1 315541569 HNYSNTITPORDSX-UHFFFAOYSA-N 285.174 3.663 30 20 CHED C=C(C)CN(CCO[C@H]1CCCCO1)Cc1ccccc1 470919258 PJDUBIRVICAEDC-SFHVURJKSA-N 289.419 3.608 30 20 CHED CC[C@@H](CN[C@H](C)c1ccc(C#N)cc1)CC(F)F 595413852 XXARJWXWWRXBDX-VXGBXAGGSA-N 266.335 3.890 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 383213273 KMYJFUHAUGSOOH-UHFFFAOYSA-N 295.726 3.517 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CC23CCCCC3)c1 386989719 FHAMISIEMYQSGM-AWEZNQCLSA-N 271.320 3.601 30 20 CHED CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(OCC#N)cc1 388693790 LPLYLRPTRYPJPO-CPUCHLNUSA-N 272.392 3.818 30 20 CHED N#CCc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)cc1 398984805 AHKVZIREVTXZPC-ROUUACIJSA-N 268.404 3.765 30 20 CHED C=C(Br)CN[C@H](C)c1c(F)cccc1F 133319893 RRCFVLPIDWUWJO-MRVPVSSYSA-N 276.124 3.524 30 20 CHED C=CCCN(C)Cc1cc(Cl)c2c(c1)OCCCO2 342736354 PNSXZPSMORQXNN-UHFFFAOYSA-N 281.783 3.509 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H](CC)c1ccccc1 101585641 HNIOLUCYZLGFRM-OCCSQVGLSA-N 263.406 3.562 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)cc1C#N 179671452 VSPJVGUTMZJYEA-LLVKDONJSA-N 275.327 3.564 30 20 CHED N#Cc1c(F)cccc1OCc1cc(F)ccc1F 115353105 PQUCTMNBJCTFSZ-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C=CCN1C(=O)/C(=C/c2c(C)cccc2C)SC1=S 179319541 COQNBNBGPYIPBN-LCYFTJDESA-N 289.425 3.691 30 20 CHED CCNc1nnc(S[C@H](C)c2ccc(C#N)cc2)s1 118174214 UOTUFMXDGSSUQD-SECBINFHSA-N 290.417 3.695 30 20 CHED C=CCCCC(=O)N[C@H](c1cccc(C)c1)c1ccccn1 179281398 GEAUMMKPQNBAGN-LJQANCHMSA-N 294.398 3.952 30 20 CHED C=CCNC(=O)c1cc(-c2ccccc2)ccc1Cl 110596242 AYYDSDBVCCEMFR-UHFFFAOYSA-N 271.747 3.923 30 20 CHED Cc1ccc(SCCN2CCC(C#N)CC2)cc1C 57875575 XGQFWSDIGVNDTM-UHFFFAOYSA-N 274.433 3.631 30 20 CHED CCC(CC)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 177579144 PDBLDGVANWLUOC-UHFFFAOYSA-N 284.403 3.876 30 20 CHED CC(=O)c1c(C)nc(C)nc1SCCCC(C)(C)C#N 177244617 RHQPPUSFDKXLND-UHFFFAOYSA-N 291.420 3.718 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc(C#N)cc2F)C1 302117070 DDBGZGJTUVJUIP-PXAZEXFGSA-N 281.334 3.680 30 20 CHED Cc1cc(F)ccc1C(=O)[C@H](C#N)c1nc2ccccc2o1 178468727 DBJRTMPZTRWBSN-ZDUSSCGKSA-N 294.285 3.765 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 117000361 GXOZWDDJSOVZKX-GFCCVEGCSA-N 271.364 3.574 30 20 CHED C[C@H]1CCCN(c2ccc(C#N)cc2Br)C1 116942647 LLHUMWCFIWZJHH-JTQLQIEISA-N 279.181 3.557 30 20 CHED CC[C@H](C)CN(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 171808960 LDWMNERGAKPVEN-LBPRGKRZSA-N 290.411 3.625 30 20 CHED Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1Cl 434029766 DERDKAZMLWKJPC-AWEZNQCLSA-N 290.794 3.803 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCC[C@@H]1C 409664114 LCYIEVHNKFIZIS-JSGCOSHPSA-N 275.417 3.883 30 20 CHED C#CCCCCC(=O)N1CCCc2cc(F)cc(C)c21 120168901 PLNUBMDUXRARIK-UHFFFAOYSA-N 273.351 3.607 30 20 CHED C=C(C)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1 175860096 VCMOBMHQEQTYLR-CABCVRRESA-N 279.449 3.992 30 20 CHED CC(C)C(=O)Nc1ccc(CNc2ccc(C#N)cc2)cc1 301058897 AFSLODVNOWWTLA-UHFFFAOYSA-N 293.370 3.765 30 20 CHED COc1ccc(C(=O)/C=C/c2c(OC)cccc2OC)cc1 121783542 PVORTPYXUXJULM-VAWYXSNFSA-N 298.338 3.609 30 20 CHED COc1cccc(Sc2ccc(Cl)c(C#N)n2)c1 301500511 DNOBSRFPNMBIKK-UHFFFAOYSA-N 276.748 3.766 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)n(CC)c1C 182616246 SKURHRIWSIHLQS-LBPRGKRZSA-N 262.397 3.599 30 20 CHED N#Cc1ccc([C@H](O)CN2CCC[C@@H]2C2CCCCC2)cc1 127164877 ZIPGLEIVZWJKHQ-RTBURBONSA-N 298.430 3.636 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)c1ccc(C#N)cn1 301350609 JUJDMCIUGBQXQG-QGZVFWFLSA-N 279.387 3.719 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn(-c2ccccc2)c1C 188534753 WNMGSCGUVNQEAQ-KRWDZBQOSA-N 283.375 3.722 30 20 CHED N#Cc1cccc(NC(=O)NC2(c3ccccc3F)CC2)c1 76776513 JCAAAVIAKYMLHE-UHFFFAOYSA-N 295.317 3.508 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)[C@H](C)CC 183388719 OIFSPPWFRYRRPF-VXGBXAGGSA-N 274.364 3.578 30 20 CHED C#Cc1cccc(NCc2ccccc2N2CCCC2)c1 37185135 BLCRGJKTDXWTAQ-UHFFFAOYSA-N 276.383 3.880 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)N(CCC#N)C(C)(C)CC 410724362 KMTHPVIKJZUSBP-UONOGXRCSA-N 264.413 3.744 30 20 CHED C=CCNC(=O)c1cc(C)n(C2CCCCC2)c1C 73091930 OPPRDKALNMNNSR-UHFFFAOYSA-N 260.381 3.526 30 20 CHED C=CCCCCCN(C)Cc1cn(C)nc1C(F)F 361190683 ZPRHOJOISQBORF-UHFFFAOYSA-N 271.355 3.536 30 20 CHED C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[C@H]1C 129761734 DZHBFPVBXJUNOO-INMHGKMJSA-N 299.418 3.719 30 20 CHED C=C(C)CCc1noc(Cc2coc(-c3ccccc3)n2)n1 508643642 MCTXGNJGJOITQC-UHFFFAOYSA-N 295.342 3.824 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 182654180 AZNKWIJUMUFRHL-JTQLQIEISA-N 286.297 3.575 30 20 CHED C=CCCCCCN1C[C@H](O)C[C@H]1c1ccccc1 411926166 OZPSLBKUJMUCMO-SJORKVTESA-N 259.393 3.541 30 20 CHED CS[C@H](C)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187296747 SMIQQHJGKGCCPG-VEAWUBTESA-N 296.480 3.743 30 20 CHED C=C(C)[C@@H](NC(=O)C1CCCC1)c1ccc(F)c(F)c1 186041275 SNJVQQIBPOCFAJ-OAHLLOKOSA-N 279.330 3.888 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)[C@H](C)CN(C)[C@H]2C 416392394 SGVZJWHENSMCOY-PWSUYJOCSA-N 265.360 3.525 30 20 CHED C=CCSCCNC(=O)Nc1cccc(SCC)c1 73990348 ZSJIANYYKUDABT-UHFFFAOYSA-N 296.461 3.839 30 20 CHED N#Cc1ccc(CN2CCC(c3ccccc3)CC2)s1 125412447 ADCGPJHRHMPAMO-UHFFFAOYSA-N 282.412 3.999 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(C#N)cc1 454156818 AEFVCFXQSSCYGV-LLVKDONJSA-N 259.353 3.504 30 20 CHED C=CCC[C@@H](CC)NCc1ncc(-c2ccccc2)cn1 186065607 OWYQUWDASKGGEI-QGZVFWFLSA-N 281.403 3.978 30 20 CHED CN(C)c1cccc([C@H]2CCCN2CCCCC#N)c1 75838967 BPEHWKYRRVBNKS-QGZVFWFLSA-N 271.408 3.583 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 185604664 UUNARCAYTSKDLV-GOSISDBHSA-N 298.430 3.610 30 20 CHED C=CC[C@H](CC)NC(=O)CSc1ccc(Cl)cc1 410127748 OHIYWGPVXMNHTL-LBPRGKRZSA-N 283.824 3.903 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1ccccc1C(F)(F)F 410145900 QHCSKFRQBSFAGC-LBPRGKRZSA-N 285.309 3.719 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncc(C#N)cc2F)C1 413158332 RUXVTNOIJRPQRT-DZGCQCFKSA-N 295.361 3.783 30 20 CHED C=C(Br)CN[C@H](CCCC)C1CCC1 379532695 JRFJMVUEZGKULP-GFCCVEGCSA-N 260.219 3.844 30 20 CHED CN(C(=O)c1ccc2ccccc2c1)c1ccccc1C#N 317169096 WCRCWUWCHAFBJA-UHFFFAOYSA-N 286.334 3.988 30 20 CHED C=CCCCC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 508217153 NRMPIROPTVOAER-UHFFFAOYSA-N 298.264 3.752 30 20 CHED N#CC1(/N=C(/O)[C@@H]2CCSc3ccccc32)CCC1 328891588 SRWDWYRCXZTSLD-GFCCVEGCSA-N 272.373 3.669 30 20 CHED CC1(C)CC(NC(=O)c2ccc(C#N)cc2)CC(C)(C)C1 130979960 RQDDJLASWUJZHZ-UHFFFAOYSA-N 284.403 3.893 30 20 CHED CC[C@H](C#N)OC(=O)CCCCOc1cc(C)ccc1C 84710213 PKCITVAAUSVHLQ-OAHLLOKOSA-N 289.375 3.698 30 20 CHED Cc1cccc2sc(NC(=O)c3cc(C#N)cs3)nc12 84060912 PAGQOISUXGANMR-UHFFFAOYSA-N 299.380 3.790 30 20 CHED N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1 46439654 YIUWTEQYBVWQGP-GFCCVEGCSA-N 290.244 3.590 30 20 CHED Cc1ccccc1[C@H](C)C/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 329859555 OWOIWEOPKNSFJC-UKRRQHHQSA-N 297.402 3.726 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1ccc(F)c(Cl)c1 193344889 NOMLZMVDJJICDL-GQCTYLIASA-N 279.698 3.980 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C[C@H]2CCCC[C@H]2C)C1 328724232 AUSDVHJMKMFXHC-LOWDOPEQSA-N 266.385 3.524 30 20 CHED CCCCCN(C(=O)c1ccnc(C#N)c1)[C@H](C)CCC 192937936 QGAYENBDXSENIG-CQSZACIVSA-N 287.407 3.774 30 20 CHED CCN(CC)Cc1ccc(NCc2ccc(C#N)o2)cc1 190386239 PTIBKIGOULKGFM-UHFFFAOYSA-N 283.375 3.605 30 20 CHED C=CC[C@@H](C(=O)NC[C@H]1CC1(C)C)c1ccccc1 426836498 LMFYIHVQBALONK-HUUCEWRRSA-N 257.377 3.509 30 20 CHED C#Cc1cccc(NC(=O)Nc2cccc(C(C)=O)c2)c1 41703466 OSFGPFYSYSSBDK-UHFFFAOYSA-N 278.311 3.515 30 20 CHED Cc1ccc(Br)cc1Oc1ccnc(C#N)c1 228333482 FZRUUJJMDMIWTL-UHFFFAOYSA-N 289.132 3.817 30 20 CHED C[C@H]1CC(=O)CC[C@H]1C(O)=Nc1ccc2ccccc2n1 328944168 UQIMJIHIYHGQPD-SMDDNHRTSA-N 282.343 3.828 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc(-c3cnco3)c2)CC(O)=N1 329433051 KZYIRWJMTPQSHP-JQWIXIFHSA-N 299.330 3.685 30 20 CHED C[C@@H]1C[C@@H](/C(O)=N/Cc2cnc3ccccc3c2)CCC1=O 328956917 NVBMKZNDBQUVKW-DOMZBBRYSA-N 296.370 3.697 30 20 CHED CN(Cc1cc(C#N)n(C)c1)Cc1cccc2ccccc12 191214093 FFFAOCSPTKCSGC-UHFFFAOYSA-N 289.382 3.682 30 20 CHED CN(CCCOc1ccc(C#N)cc1)CC1CCCCC1 48331244 JRJGDLWJSHOAPM-UHFFFAOYSA-N 286.419 3.839 30 20 CHED C=C(C)CNC(=O)C1(c2c(Cl)cccc2Cl)CC1 427947361 RYLIYMNDTGVLRY-UHFFFAOYSA-N 284.186 3.717 30 20 CHED CC(C)[C@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1 337377146 BSXUCFKODUGCEV-CJNGLKHVSA-N 273.355 3.556 30 20 CHED CC(C)(C)c1csc(NC(=O)[C@H]2CCSC2)c1C#N 334809699 AJGXLMPBLPFZPR-VIFPVBQESA-N 294.445 3.609 30 20 CHED CCC(C)(C)CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 190759793 FPTBUSOYZWCVNV-UHFFFAOYSA-N 299.418 3.668 30 20 CHED CC[C@H](C)[C@@H](C)/N=C(/O)c1cc(C)cc2c[nH]nc12 330453802 VPASHKUMUNPPJB-WDEREUQCSA-N 259.353 3.611 30 20 CHED CC(C)N(C)c1ccc(CNc2ccc(CC#N)cc2)cn1 190815314 UGAXPTHUWXZFAN-UHFFFAOYSA-N 294.402 3.604 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@H](C)C(F)(F)C1)c1ccccc1 427677023 IUTKPMLSXYPKKY-HIFRSBDPSA-N 293.357 3.850 30 20 CHED COCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 338362638 RMFIETFDFAUZAU-DNVCBOLYSA-N 294.398 3.987 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)cc2OC)CCC1 191867432 XQOZKBRTBAMYEP-UHFFFAOYSA-N 263.312 3.519 30 20 CHED N#C[C@@]1(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC12CCCC2 333407773 JSWICJAQMPNGDZ-HDMKZQKVSA-N 286.419 3.545 30 20 CHED CCc1nc(C)c(CNc2cc(Cl)ccc2C#N)o1 292376284 SHHTVSCGLVKXFY-UHFFFAOYSA-N 275.739 3.683 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CCCO2 335020468 BHWMVFZWXQUQCN-INIZCTEOSA-N 298.411 3.932 30 20 CHED Cc1c(/C(O)=N/[C@H]2CC[C@H](C)CC2)cccc1[N+](=O)[O-] 330707401 PVAOFIMEZUDTTB-UMSPYCQHSA-N 276.336 3.787 30 20 CHED C[C@@H]1C(O)=Nc2cc(/C(O)=N/[C@H]3CC=CCC3)ccc2N1C 330222277 MGXZEHNFARQVMA-YPMHNXCESA-N 299.374 3.526 30 20 CHED N#CCCC1CCN(c2nc3ccccc3s2)CC1 335378546 HHWNPCXHTFSCJY-UHFFFAOYSA-N 271.389 3.816 30 20 CHED C[C@@H](NC1CCC2(CCOCC2)CC1)c1ccc(C#N)cc1 335765501 YRJMIMAMUIWIIR-OAHLLOKOSA-N 298.430 3.948 30 20 CHED C[C@H]1Oc2ccccc2[C@@H]1NC1CCC(C)(C#N)CC1 336222678 BDWWTHQIRRLESY-AMNYIGESSA-N 270.376 3.571 30 20 CHED CCN(Cc1ccccc1OC1CCCC1)C[C@@H](C)C#N 91982502 ISZYHGFNIVTABW-HNNXBMFYSA-N 286.419 3.990 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2c(c1)CCC1(CCC1)O2 529707559 NBKHQWHKYYBYKY-KRWDZBQOSA-N 298.386 3.813 30 20 CHED C=CCCN(C)C(=O)CC1(CSc2ccccc2)CC1 342575118 VWXWQZHKHMWHLD-UHFFFAOYSA-N 289.444 3.984 30 20 CHED C=CCC[C@@H](NC(=O)NCC1(CC#N)CC1)c1ccccc1 430902517 YNTAYJMGHDOCHK-MRXNPFEDSA-N 297.402 3.687 30 20 CHED Cc1cocc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 528967100 UAWSIXXMLAGVKY-SNVBAGLBSA-N 274.345 3.658 30 20 CHED CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)C12CCC2 247065841 STXLCTGKZDSROH-XOKHGSTOSA-N 284.403 3.557 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Nc2ccccc2)C1 249273263 LDGPGDIHIYBXLW-DNVCBOLYSA-N 291.398 3.806 30 20 CHED CCOC1CC(Sc2ccc(C#N)cc2Cl)C1 430127982 GLCDXRLCOUSOAT-UHFFFAOYSA-N 267.781 3.871 30 20 CHED Cc1cccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c1 345372441 KYDPLRYMIZZFIO-AWEZNQCLSA-N 289.338 3.670 30 20 CHED Cc1cccc([C@H](C)CN[C@@H]2CCC[C@@H](C#N)C2)c1 248813924 KTBKTVLXCHZBMZ-BFYDXBDKSA-N 256.393 3.771 30 20 CHED Fc1ccc(C#CCOc2c(F)c(F)cc(F)c2F)cc1 433400423 NLJHPKGSFYWEIU-UHFFFAOYSA-N 298.210 3.813 30 20 CHED CC#CCN(C1CC1)C1CC(c2ccccc2C)C1 607747175 SBKOGIGBZWHSBO-UHFFFAOYSA-N 253.389 3.729 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@H](C)c1ccco1 528822325 DBSWQOGJFXZUKR-LBPRGKRZSA-N 297.358 3.715 30 20 CHED C[C@@H](CCC#N)CNCc1csc2ccccc12 602515729 CRZSNHYAPAHSNH-LBPRGKRZSA-N 258.390 3.931 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3ccc(Cl)nc3)ccc21 255755776 NXTKGWKJQMJBQK-UTCJRWHESA-N 298.773 3.623 30 20 CHED CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 344309414 ZFJOCQJDTSVYFH-UONOGXRCSA-N 279.387 3.927 30 20 CHED N#Cc1cccc(CNc2ccccc2N2CCCCC2)n1 602494292 XDPBLJLGUYUYFU-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C=CCCCC(=O)N1CCC[C@]2(CCc3ccccc3O2)C1 529904739 CPJTYTRPCDTICV-IBGZPJMESA-N 299.414 3.729 30 20 CHED COC[C@H](NC[C@H](C)CCC#N)c1cccc(Cl)c1 602667996 ACOHMEGUKBBUEO-DOMZBBRYSA-N 280.799 3.557 30 20 CHED CC[C@@](C)(O)CN(Cc1ccccc1)C[C@H](C)CCC#N 602625106 DDJTWNJNXMWHNU-SJLPKXTDSA-N 288.435 3.589 30 20 CHED CC1(C)CN(Cc2cccc(C#N)n2)[C@@H]1c1cccs1 602661438 FKVHJTJJNKTCOB-OAHLLOKOSA-N 283.400 3.598 30 20 CHED COc1ccc(-n2ccnc2S[C@H]2CC[C@@H](C#N)C2)cc1 430133956 FTAPPZFMFSLAGQ-DOMZBBRYSA-N 299.399 3.665 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1coc2ccccc12 255507967 OCAHOXZBTOJJRO-HJWRWDBZSA-N 280.327 3.679 30 20 CHED CC#CCN1CCC(c2c[nH]c3c(CC)cccc23)CC1 525120131 WKYSBXIEKGSFSV-UHFFFAOYSA-N 280.415 3.933 30 20 CHED CCC(CC)[C@H](C)C(=O)NCC(C)(C)CCC#N 345893727 WRGJBVXSIBGDKP-LBPRGKRZSA-N 252.402 3.505 30 20 CHED CCc1ccc(C=NOCc2noc3c2CCCC3)cc1 255132106 LPCZCSQTXFZLOB-UHFFFAOYSA-N 284.359 3.667 30 20 CHED CCOc1cccc(C=Nc2cc(C)ccc2OC)c1O 254678142 OKZPBKLDFRCNTA-UHFFFAOYSA-N 285.343 3.859 30 20 CHED Cc1cc(CNc2cc(C(F)(F)F)ccn2)ccc1C#N 446972184 RMFDKCGXGDDATJ-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=C(C)CCNCc1cc(C)ccc1OC(F)F 449471960 DPQYYDMSWTUBIZ-UHFFFAOYSA-N 255.308 3.652 30 20 CHED Cc1c(C(=O)/C=C\c2ccsc2)cnn1-c1ccccn1 255538211 RSMKCSFUNCMRHC-WAYWQWQTSA-N 295.367 3.533 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccccc2F)s1 255678467 IMJKHIBQUGHVNC-FPLPWBNLSA-N 257.289 3.655 30 20 CHED N#CC1(Cc2cn(CCCC3CCC3)nn2)CCCCC1 603234690 PNRWKNPRPHTJQV-UHFFFAOYSA-N 286.423 3.875 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(C#N)s1 255908644 FNOOIQNVDHZVTB-HJWRWDBZSA-N 253.326 3.824 30 20 CHED Cc1cc([C@@H](C)NC[C@@H](C)CCC#N)c(C)s1 602512783 UPOXZSVMMACUHV-CMPLNLGQSA-N 250.411 3.955 30 20 CHED C=CC1CCN(Cc2nc3ccc(Cl)cc3n2C)CC1 353592442 JTZIYRATPXDHJE-UHFFFAOYSA-N 289.810 3.625 30 20 CHED CO[C@H](CNC1CCC(C)(C#N)CC1)c1ccc(F)cc1 449170507 GIIGVWSCAFFEIX-AQFXKWCLSA-N 290.382 3.575 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCC(C)(C)C(C)(C)C 602668143 BSQQOKICRKGYLV-AWEZNQCLSA-N 280.456 3.747 30 20 CHED Cc1ccc(OC2CCN(C[C@H](C)CCC#N)CC2)cc1 602446073 ZEDPKKLEWMCTJC-MRXNPFEDSA-N 286.419 3.778 30 20 CHED C/C=C/c1ccc(NC(=O)N[C@@H](CC)CC#N)cc1 353268563 YEBUXWCQPLBOIR-LQPUYASZSA-N 257.337 3.533 30 20 CHED C=CCC[C@@H](NCc1ccccc1Cn1ccnc1)C1CC1 269675260 HARODCQIRNUHMD-LJQANCHMSA-N 295.430 3.766 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccc(F)cc2C#N)c1 444734256 MUQFXYGATLWZSS-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=CCCC1(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)CC1 356377956 AAENETZVDSNTNP-UONOGXRCSA-N 279.449 3.619 30 20 CHED Cc1cc(C)c(C#N)c(N2Cc3ccccc3C(C)(C)C2)n1 535360972 WQHXKURDKMVNJE-UHFFFAOYSA-N 291.398 3.868 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 449893948 CNKHUQPTJVBFNY-VIFPVBQESA-N 269.747 3.869 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CCC(C)C)C1CC1 539464124 NJXJMKWJGVBMSB-AWEZNQCLSA-N 266.429 3.951 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 538124375 IVKPIOOHDXYMLA-VBNZEHGJSA-N 275.367 3.790 30 20 CHED CC(C)(CCC#N)CN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 449761941 CJAZIMZSQCAHSW-WBTNSWJXSA-N 260.425 3.684 30 20 CHED C=CCC[C@H](C)N1CCC=C(c2cn(C(C)C)nn2)CC1 449468483 DRCLMNBDWRLMHS-HNNXBMFYSA-N 288.439 3.693 30 20 CHED C=CC(C)(C)C(=O)NCC(C)(C)Cc1ccccc1 449882745 KHXFQSCNMZTQDZ-UHFFFAOYSA-N 259.393 3.584 30 20 CHED CC1(C)CC[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1 351834457 VIAJLNIGKNLCFN-CVEARBPZSA-N 299.418 3.909 30 20 CHED Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)c(F)c1 539368682 UQGABZHDACCGLK-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)OC(=O)c1cn(CCCC#N)c2ccccc12 444554742 WRLVUOXMYBDHNP-UHFFFAOYSA-N 270.332 3.510 30 20 CHED Cc1cccc(CCCN2CCC[C@](C)(C#N)C2)c1 612163658 VRRLSGPLQMKZLL-QGZVFWFLSA-N 256.393 3.553 30 20 CHED N#CC[C@@H](CC(=O)Nc1ccccc1C#N)c1ccccc1 361437096 GTAOFNYFACBMOK-HNNXBMFYSA-N 289.338 3.584 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)CCCc1c[nH]c2ccccc12 267548358 XJLLPSLXGYUKSE-INIZCTEOSA-N 297.402 3.545 30 20 CHED C=CCC1(NC(=O)c2cccc3nc[nH]c23)CCCCC1 456373963 WJXJTDVDEUHNFQ-UHFFFAOYSA-N 283.375 3.572 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(F)cc1F 537185159 UDXDKQGMTWTNDG-NSHDSACASA-N 282.334 3.509 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(Cl)c1 618734324 CNTNNVJNANEURF-INIZCTEOSA-N 296.757 3.629 30 20 CHED Cc1c(C#N)c(N2C[C@H]3CCC[C@H]3C2)nc2ccccc12 450380901 SHVOHTLXUNACQK-OKILXGFUSA-N 277.371 3.651 30 20 CHED C[C@@H](NCC1=CCCCC1)c1ccc(C#N)c(F)c1 453247642 KHGAZKWVAGOHGF-GFCCVEGCSA-N 258.340 3.848 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)CCCC1 451722384 ZZOBCNLESWHAAJ-ZDUSSCGKSA-N 297.402 3.877 30 20 CHED C=C(CC)CNC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 455528131 WUGFBZQMUIEPMR-NEPJUHHUSA-N 292.345 3.621 30 20 CHED CC[C@@H](C)n1nc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1C 540493329 ZFEUFGBGAKNMKM-SNVBAGLBSA-N 299.334 3.686 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OC)c(OC(C)C)c1 276175961 UTJWIAKITQUUAE-UHFFFAOYSA-N 292.379 3.522 30 20 CHED Cc1cccc(Cc2noc(-c3cccc(CC#N)c3)n2)c1 547019741 HQTHJYFABPVLRY-UHFFFAOYSA-N 289.338 3.702 30 20 CHED CO[C@H](C1CC1)[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 453364408 LOWNQBHPWXBVTC-ZNOIYHFQSA-N 298.430 3.729 30 20 CHED C=CC(C)(C)CNC(=O)c1sc(C)cc1OC(F)F 452772037 COTOCEBJJPXCPN-UHFFFAOYSA-N 289.347 3.600 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@H]1CCC[C@H](C)C1 540463481 NVSNVDUISGFMFM-HOTGVXAUSA-N 281.440 3.787 30 20 CHED C=CCC[C@@H](C)N[C@H](c1ccc(F)cc1)c1cnn(C)c1 274814410 YSQHVDYDXVEHEN-CXAGYDPISA-N 287.382 3.593 30 20 CHED C=CCC[C@@H](C(=O)N1CCC1(C)C)c1ccccc1 548632440 RLWNWQITTHBGFV-OAHLLOKOSA-N 257.377 3.747 30 20 CHED C=CCC1(NC(=O)c2ccoc2CC)CCCCC1 456359328 BXVXTDLLKGGAJW-UHFFFAOYSA-N 261.365 3.851 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCC)CC(C)C 451394242 RTHYCGIEVQZHPG-PMPSAXMXSA-N 281.440 3.546 30 20 CHED CN(Cc1cccc(OC(F)(F)F)c1)[C@@H]1CC[C@H](C#N)C1 278623396 NMVKVEGBKOYMQD-WCQYABFASA-N 298.308 3.709 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CC(C)(C)C#N)C1 278288489 GQHFHKDETYLAAL-GJZGRUSLSA-N 284.403 3.639 30 20 CHED N#CCCCNC(=O)Nc1ccccc1CCC(F)(F)F 273209605 JQYJDGWQNLQSML-UHFFFAOYSA-N 299.296 3.607 30 20 CHED N#CCc1ccccc1NC(=O)c1nccc2ccccc12 549716292 HXGKJWFQVHACIE-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=CCN(C(=O)c1cc(C)nn1C(CC)CC)C(C)(C)C 622945282 ZZTULWYPDVRIPE-UHFFFAOYSA-N 291.439 3.979 30 20 CHED C=CCN(C(=O)NCc1csc2ccccc12)C1CC1 540058193 KZFPIQUEGDXGJN-UHFFFAOYSA-N 286.400 3.761 30 20 CHED N#CCC1CCN([C@H]2CCCc3ccc(F)cc32)CC1 542878188 DYLWTNUWKNPUHK-KRWDZBQOSA-N 272.367 3.829 30 20 CHED Cc1ccccc1CCCOc1ccc(C#N)cc1 541004590 MSSUJLMEMPHPIQ-UHFFFAOYSA-N 251.329 3.878 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 464751254 KWZZENMWHOTBDT-SMDDNHRTSA-N 278.783 3.761 30 20 CHED CC[C@H](C(=O)N[C@](C)(C#N)C(C)C)C1CCC(C)CC1 460754006 FLVLABIMKQKKOV-UMPYDWHISA-N 278.440 3.893 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(C#N)cc1Cl 469975118 SPFRCJGRLBKSCM-CMPLNLGQSA-N 276.767 3.976 30 20 CHED C[C@H](C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 461909388 JSXGAOAWICVCGI-DFEHZGFQSA-N 296.414 3.604 30 20 CHED CC1(C)CCC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 552484338 ABMPVXJTXQWXFE-GFCCVEGCSA-N 290.794 3.910 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)Oc2ccc(C)cc21 467516691 OCIKYNJXMDOFEJ-CQSZACIVSA-N 285.387 3.877 30 20 CHED COCCC[C@@H](NCCCCC#N)c1ccc(F)cc1 281627807 CWHFUBOFQOPARF-MRXNPFEDSA-N 278.371 3.577 30 20 CHED C=C[C@H](CC(=O)N1CCC=C(C)C1)c1ccccc1 280825016 VYRCXYWDCOWNDF-OAHLLOKOSA-N 255.361 3.525 30 20 CHED C=CCC[C@H](CC)N[C@H](COC)Cc1ccccc1 462110473 ULDYUSZQQMWXPJ-IRXDYDNUSA-N 261.409 3.579 30 20 CHED COc1ccccc1CN(C)c1c(Cl)cccc1C#N 462924389 NASLLJHHLCJNEQ-UHFFFAOYSA-N 286.762 3.857 30 20 CHED C=CCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 467368570 GYMIUAVONHEWLU-UHFFFAOYSA-N 286.331 3.863 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccccc1C)C(C)(C)C 465284693 KGESYUMKJAMRQT-UKRRQHHQSA-N 274.408 3.956 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCCc2c[nH]nc21 374444702 TTWQJPZMCWHDHH-CQSZACIVSA-N 277.412 3.654 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)s1 553651527 WHVFGEOTTSPENO-LLVKDONJSA-N 290.819 3.994 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(F)F 288453139 DEDPQQWVHBYLNA-UHFFFAOYSA-N 279.739 3.571 30 20 CHED CC(C)(C#N)CCSCc1ccc(Cl)nc1 289376759 KDAIEBMXMURTGR-UHFFFAOYSA-N 254.786 3.908 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)cc1 552245374 UZPTZHADJUOVAQ-FUHWJXTLSA-N 287.403 3.550 30 20 CHED C=CCCCCN[C@@H](C)c1cnn(C(C)(C)C)c1C 468816954 DLZOPRCDAWNANB-ZDUSSCGKSA-N 263.429 3.953 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@H](C)C1 290011566 ZSOQANIEBABSAL-VXGBXAGGSA-N 264.319 3.596 30 20 CHED C=CCCCCCCNC(=O)NCCc1ccc(C)o1 804914638 SRESAWXEKNWIEO-UHFFFAOYSA-N 278.396 3.566 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 476074536 VHLXNODERNKRID-GJZGRUSLSA-N 293.451 3.690 30 20 CHED C=CCCCCCCN[C@@H](C)CC1CCOCC1 806168234 XVVYZJZQPSZLHE-HNNXBMFYSA-N 253.430 3.918 30 20 CHED C[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2O1 295112483 VHEDKFITJXIDOF-IXYNUQLISA-N 270.376 3.571 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC(C)C1 475933718 OTJPUPHWABCHKR-UHFFFAOYSA-N 299.418 3.524 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H](C(C)(C)C)C1)OCC 478452906 DLDRGTOSUMFGOV-HUUCEWRRSA-N 281.440 3.642 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](C)c1cccc(C2CC2)c1 295560361 LGIFLMXXMJQWHN-LLVKDONJSA-N 294.354 3.828 30 20 CHED CCc1cc(NC(=O)Cc2ccccc2CC#N)ccc1F 803444938 HOKWCIJGMZUJFW-UHFFFAOYSA-N 296.345 3.635 30 20 CHED CCc1ccc2nccc(N3CCC(CC#N)CC3)c2c1 562533904 DUTQEFQRFFJTQK-UHFFFAOYSA-N 279.387 3.927 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCc3nc(Cl)ccc32)c1 295964883 MKAPTOZCAZCMOV-OAHLLOKOSA-N 297.789 3.774 30 20 CHED Cc1ccc(F)c(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 294353114 JFZXMKFINMPXQV-INIZCTEOSA-N 272.323 3.547 30 20 CHED C=CCCCCCn1ccc2ccc([N+](=O)[O-])cc2c1=O 564571464 RRUQPXSKIOXCES-UHFFFAOYSA-N 286.331 3.656 30 20 CHED C=CCCOCCCCC(=O)N[C@H](C)C1CCCCC1 563714844 LNYIWSMMCYEFPA-OAHLLOKOSA-N 281.440 3.834 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)c1c(F)cc(C#N)cc1F 295544314 GSIGIQLSWOFEBV-LLVKDONJSA-N 292.329 3.701 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(Cl)c1 567613365 BRLSZKZPBYUBIM-XQQFMLRXSA-N 288.778 3.781 30 20 CHED N#CCc1ccc(COc2cccc3c2CCCC3=O)cc1 399286871 ZNGKPKPESFECEY-UHFFFAOYSA-N 291.350 3.851 30 20 CHED N#Cc1ncccc1N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 569132998 NSMMSVRRZJBVID-DZGCQCFKSA-N 281.334 3.841 30 20 CHED N#CCCN(Cc1cc(O)cc(C(F)(F)F)c1)CC1CC1 290447346 OGYKQHJSDLNHEF-UHFFFAOYSA-N 298.308 3.537 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2CCO[C@H](C)C#N)cc1 801935541 AAQVXLBAZXFPKJ-QAPCUYQASA-N 286.419 3.876 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@@H](O)C(C)(C)C1 806332784 QXKAAMQNZNOLHZ-OAHLLOKOSA-N 298.471 3.539 30 20 CHED C#CCCc1noc(-c2ccccc2CSCC)n1 809396537 LRCINGXAZLUZJO-UHFFFAOYSA-N 272.373 3.556 30 20 CHED C=CC(C)(C)c1nc([C@@H]2CSc3ccccc32)no1 296261824 BSLKHSKBTHAHSF-LLVKDONJSA-N 272.373 3.771 30 20 CHED CCc1cnc(CSc2ccc(C#N)c(C)c2)o1 567859434 BRYAGJDFGPAODH-UHFFFAOYSA-N 258.346 3.709 30 20 CHED C=C(C)COc1cccc(NC[C@H]2CCSC2)c1 487257892 DHGUOTATOGTQRH-CYBMUJFWSA-N 263.406 3.807 30 20 CHED CC[C@H](C=NNc1ccc(F)cn1)c1ccccc1 814842840 SKUDZRYXHKRTDT-GFCCVEGCSA-N 257.312 3.812 30 20 CHED CC(C)[C@@H]1N(C(=O)/C=C\c2ccccc2C#N)CC12CCC2 814135661 LVXJFOYFPIAVHD-GIFJBRJJSA-N 294.398 3.609 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCN(c2ccccc2F)C1 488740860 XZUBNXNPQKITOP-GFCCVEGCSA-N 299.324 3.527 30 20 CHED O=C(O)c1cccc(C=NNc2cccc(F)c2)c1Cl 814814862 CJYCMTAJBDZVQK-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C(=NNCCc1ccccn1)c1ccc(C2CCC2)cc1 814925102 QHCLUEIITQFLLN-UHFFFAOYSA-N 279.387 3.515 30 20 CHED C=CCCCCOC(=O)c1nc(C(C)C)ncc1Cl 811010316 PVLSTXZWIRJERR-UHFFFAOYSA-N 282.771 3.767 30 20 CHED C=C(C)CN[C@@H](C)[C@H](OC)c1ccccc1Cl 481376597 JRWOADGNMZZNDY-FZMZJTMJSA-N 253.773 3.582 30 20 CHED CC(C)(C#N)CNC(=O)N[C@H](c1ccccc1)C1CCCC1 484736485 LIQSPKIDPOBTKE-MRXNPFEDSA-N 299.418 3.767 30 20 CHED C[C@H]1CC(=NNc2cc(Cl)nc(Cl)c2)C[C@@H](C)O1 819828809 QOECFTJZLMSAGK-OCAPTIKFSA-N 288.178 3.744 30 20 CHED C=CCCCC(=O)N1CCCc2cccc(CC)c21 481467838 VBUPTVQFJRXJLK-UHFFFAOYSA-N 257.377 3.885 30 20 CHED CC(C)OCCON=C1CC(C)(c2ccccc2)C1 812240206 KSDUGAHRYUKXCA-UHFFFAOYSA-N 261.365 3.536 30 20 CHED C[C@@H](C=NNCc1ccc(C#N)cc1)C1CCCCC1 814881661 UJOJGTBYMSVSBS-AWEZNQCLSA-N 269.392 3.850 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H]1CC)c1ccc(Cl)cc1 811959713 VEFCBSAKLCNZNT-CABCVRRESA-N 290.794 3.598 30 20 CHED C(=NOCCC1CC1)c1ccc(OCc2ccncc2)cc1 814246319 IATCVKXGZCDJPP-UHFFFAOYSA-N 296.370 3.811 30 20 CHED C=CCCC1(c2nc(COc3cccc(F)c3)no2)CC1 481929484 CYZDZTXHKCAXEN-UHFFFAOYSA-N 288.322 3.786 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1cc(C)cc(C)c1 815503198 KMGBJFRPKUUPIU-GFCCVEGCSA-N 267.319 3.692 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(F)cc1Cl 489733136 IYZCOFLNYRJWIM-UHFFFAOYSA-N 283.774 3.740 30 20 CHED CCCC[C@H](COC)Nc1cc(C#N)ccc1OCC 484704716 NYGFBUAJIFDEQH-CQSZACIVSA-N 276.380 3.574 30 20 CHED Cc1ccc2ccccc2c1CN(C)C[C@@H](C)C#N 483267707 YQHIPNSKRFPIOW-ZDUSSCGKSA-N 252.361 3.740 30 20 CHED C=CCn1cccc1C(=O)N(CCC)Cc1ccccc1 488366238 KYPHYRHXBGEQEG-UHFFFAOYSA-N 282.387 3.727 30 20 CHED CC(=NNC[C@@H]1CCSC1)C1CCC(F)(F)CC1 811661552 NIXLCHCGAWBRJL-NSHDSACASA-N 276.396 3.531 30 20 CHED C=CCCCCCCCNC(=O)NCC1CC(F)(F)C1 813756406 DMAADKVNGPZHNT-UHFFFAOYSA-N 288.382 3.858 30 20 CHED COc1cccc(/C=N\[C@H]2CCc3c(C)cccc32)c1O 729641159 DAODNYAEXJDLJW-YLRSXTQRSA-N 281.355 3.816 30 20 CHED C=CC[C@H]1CC[C@@H](NC2(c3noc(C(F)F)n3)CCC2)C1 651815821 NZPULHNMFBPEIS-WDEREUQCSA-N 297.349 3.721 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N(CCC#N)C(C)C)cc1C 726532660 NUDZPBFGKABCGB-FPLPWBNLSA-N 284.403 3.776 30 20 CHED FC(F)(F)c1cscc1C=NNc1ccccn1 811631752 LMZXNGCDYVPQRV-UHFFFAOYSA-N 271.267 3.608 30 20 CHED CC(C)(CC(=O)OCc1cn2ccccc2c1C#N)C1CC1 815467988 MAYBMIHOZAIEIF-UHFFFAOYSA-N 296.370 3.680 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1c(CC)noc1C 815638445 WDAISMAVGGWKFU-LLVKDONJSA-N 250.386 3.798 30 20 CHED C=CCCc1ccccc1NC(=O)c1cccc(CO)c1 488567355 VYNUUVSABZCRMA-UHFFFAOYSA-N 281.355 3.550 30 20 CHED COc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 576674932 ZODOHERLIHWERS-BFUOFWGJSA-N 292.382 3.905 30 20 CHED CCON=C(C)c1csc(-c2csc(C)n2)c1 729144364 YNMWTDOTZTXOEP-UHFFFAOYSA-N 266.391 3.941 30 20 CHED C=CCCC(C)(C)NCc1cnc([C@H]2CCCO2)s1 657805965 ZIBKWQKEUZKDQE-CYBMUJFWSA-N 280.437 3.829 30 20 CHED CC(C)C#CC(=O)N[C@@H](c1ccccc1Cl)C(C)C 827885371 YZTMEDWJCMLFPZ-MRXNPFEDSA-N 277.795 3.813 30 20 CHED C#C[C@H](C)N(C)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 491671145 WLKVVMARNMSAFP-NEPJUHHUSA-N 297.320 3.679 30 20 CHED C=C(C)COC(=O)c1ccccc1Oc1cccnc1 728099226 KHYWTACVNPNAKX-UHFFFAOYSA-N 269.300 3.607 30 20 CHED C=CCCCNC(=O)NCc1cccc(SCC)c1 490387856 YQTDWSMTVQRSJQ-UHFFFAOYSA-N 278.421 3.564 30 20 CHED Cc1cnccc1SCC#Cc1ccc(F)cc1 578249212 APFNWCPVPYRVDB-UHFFFAOYSA-N 257.333 3.673 30 20 CHED C=CCC[C@H](C)N[C@@H](CCC(=O)O)c1ccccc1 901646844 AKRCXJXEFSJHBD-ZFWWWQNUSA-N 261.365 3.537 30 20 CHED CN(C)CCCCCCCNC1CCC(C)(C#N)CC1 823729458 HHMXRDJCOAUJDB-UHFFFAOYSA-N 279.472 3.561 30 20 CHED CC(C)C#CC(=O)NC(c1cccs1)c1cccs1 828285319 VKTRUWVITMFTTC-UHFFFAOYSA-N 289.425 3.675 30 20 CHED N#Cc1ccc(-c2ccc([C@H]3C[C@@H](O)C3)cc2)s1 904766995 PVADNJCVGXOJOP-BETUJISGSA-N 255.342 3.525 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCC2(C)C)cc1 581335388 JPRUGABJYKEZEV-JKSUJKDBSA-N 284.403 3.756 30 20 CHED CCCCCCCC(=O)NCCOc1ccccc1F 822374109 YGUDIGFJVKLWKW-UHFFFAOYSA-N 281.371 3.681 30 20 CHED N#CC1(CCCCOC(=O)CC[C@@H]2CCCCO2)CCC1 909004196 RGAMNXBTCUQIEN-HNNXBMFYSA-N 293.407 3.743 30 20 CHED CCc1ccc(C=NOCc2ncc(C(C)C)o2)cc1 733304598 LJPPUKLIRVOJJN-UHFFFAOYSA-N 272.348 3.911 30 20 CHED C=CC1CCN(Cn2c(=S)oc3ccccc32)CC1 732181206 NLZSKTVXGAIQKD-UHFFFAOYSA-N 274.389 3.819 30 20 CHED N#CCCCCOC(=O)C1(Cc2cccc(Cl)c2)CC1 835158996 AVUPIWGDERVXSO-UHFFFAOYSA-N 291.778 3.900 30 20 CHED COc1cccc(/C=N\[C@@H]2CSc3ccccc32)c1O 735414776 LDDBMFMEIKDGSW-ZLYHGVDXSA-N 285.368 3.667 30 20 CHED C=CCNC(=S)Nc1ccc(Oc2ccc(C)cn2)cc1 733213027 QEUVMGRYSJXREI-UHFFFAOYSA-N 299.399 3.655 30 20 CHED Cc1cc(N(C)Cc2ccc(Cl)c(F)c2)cc(C#N)n1 588008697 HMLKYSZSIJLILV-UHFFFAOYSA-N 289.741 3.691 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)COc2ccc(F)cc21 731565302 KAQRKGXAWOXFHG-YHYXMXQVSA-N 290.240 3.763 30 20 CHED C#CCCCCCCOC(=O)C[C@@H](C)c1c(C)noc1C 835715003 SCYADFGMHBUJHI-CYBMUJFWSA-N 291.391 3.912 30 20 CHED CCC(CC)NN=C(CC1CCCCC1)c1ncccn1 734365031 QEZPGNHSEZOQGS-UHFFFAOYSA-N 288.439 3.929 30 20 CHED CCCC[C@H](C)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 589075421 KSEFAPGLOKWDGJ-BBRMVZONSA-N 272.392 3.756 30 20 CHED C=CCC[C@H](NC(=O)OC1CCC1)c1ccccc1 830912919 AGJQRVWWIWNDPD-HNNXBMFYSA-N 259.349 3.973 30 20 CHED C=CCCC1(CNCc2cc(C)c(C(=O)O)o2)CCCC1 902423165 QADVYIZASHEHSW-UHFFFAOYSA-N 291.391 3.902 30 20 CHED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C#CC(C)(C)C 837401450 FRIMVYMGARQCEC-OAHLLOKOSA-N 283.415 3.863 30 20 CHED C[C@H]1CC[C@@H](C)CC1=NNc1ccc(C(F)(F)F)nn1 834967119 XVAUPZFLAQEECJ-BDAKNGLRSA-N 286.301 3.719 30 20 CHED C=CCC[C@H](C(=O)O[C@H](C)C(=O)CC)c1ccccc1 837652317 BYDJVRVMFNHIQQ-HIFRSBDPSA-N 274.360 3.647 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc(C)sc1C 679325707 FBMHCZNJWQSWDU-UHFFFAOYSA-N 289.400 3.829 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@H]2C[C@@H]21)c1ccccc1 672131530 MNGOSKKOUPYRKT-ULQDDVLXSA-N 269.388 3.747 30 20 CHED C=CCCCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1F 739648680 FYWVGTPLYCQBAD-UHFFFAOYSA-N 294.326 3.552 30 20 CHED CC(=NNc1ccccc1Cl)c1ccc(N)cc1 916540054 LDRQGABDTASERT-UHFFFAOYSA-N 259.740 3.758 30 20 CHED CC(=NNc1nc(C)cc(C)n1)[C@@H]1CCCC[C@H]1C 834913432 ZWIVCHXOVSNFNJ-QMTHXVAHSA-N 260.385 3.708 30 20 CHED C#CCOc1ccc(NC(=O)c2ccc(C)cc2C)cc1 730981362 OHKIYFFLCLNKGM-UHFFFAOYSA-N 279.339 3.568 30 20 CHED COc1cccc(/C(C)=C\C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 839054915 PFPFAELAUCAYFW-XKHVPYPXSA-N 299.370 3.724 30 20 CHED C[C@H](C#N)N(C)C(=O)C=C1CCC(C(C)(C)C)CC1 839366081 HAGCDWMDVMTOLW-PUODRLBUSA-N 262.397 3.520 30 20 CHED CC(C)c1ccc(C=NN[C@@H](C)C(F)(F)F)cc1 834995756 BIPSUFGSXNBZOV-JTQLQIEISA-N 258.287 3.684 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCSCC1 918136598 PUYGMOCEKZYUKN-AWEZNQCLSA-N 286.485 3.741 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(F)cc1F 915962263 PBQFAWLKJVKMCE-UHFFFAOYSA-N 271.270 3.673 30 20 CHED CCC(=NNc1cc(C)nc(C)n1)c1ccc(CC)cc1 915970494 DSCDGHGRYWSREY-UHFFFAOYSA-N 282.391 3.882 30 20 CHED C[C@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccc(Cl)cc1 597903513 YQSQWCQYGKWIPD-STQMWFEESA-N 290.794 3.596 30 20 CHED Cc1cc(C)nc(NC(=O)CC2(C#N)CCCCC2)c1 597422975 WLLXJLWVEHOHSH-UHFFFAOYSA-N 271.364 3.501 30 20 CHED Clc1ccc(NN=Cc2ccc[nH]2)c(Cl)c1 916339602 HPOVZWKLVWOVOM-UHFFFAOYSA-N 254.120 3.768 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@@H]2CCC[C@H](C)C2)n1 598854844 VRJJPMSJFYEKIG-SMDDNHRTSA-N 285.391 3.725 30 20 CHED N#Cc1ccccc1/C=C/C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 915733507 GHJCWEYQKYRJLX-LWTWFGCRSA-N 294.398 3.514 30 20 CHED C[C@H](C#N)N(C(=O)c1cc2cc(F)ccc2s1)C1CC1 598127798 UDLXIIJBWOBELE-SECBINFHSA-N 288.347 3.557 30 20 CHED Cc1ncsc1C=NNc1ncc(Cl)cc1Cl 743427393 VIUWCPNMHALISL-UHFFFAOYSA-N 287.175 3.599 30 20 CHED CN(C[C@H]1CC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 596641326 UFVNYSYMNNGEGO-LLVKDONJSA-N 291.782 3.721 30 20 CHED C[C@@H](C(=O)OCC(C)(C)C#N)c1ccc(Cl)cc1 845508946 LLNBWRIGSAPJGF-SNVBAGLBSA-N 265.740 3.536 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc3nc(C(F)(F)F)oc3c2)C1 592524722 ZMZYOVYCZJMJSR-BDAKNGLRSA-N 295.264 3.951 30 20 CHED C=CCOc1ccccc1CNC(=O)CC1CCCCC1 599819425 HYTFAADAEZBTDP-UHFFFAOYSA-N 287.403 3.838 30 20 CHED Cc1nc2c(s1)[C@@H](NCCc1ccc(C#N)cc1)CCC2 595058240 ZZWXLAIHNKANHE-HNNXBMFYSA-N 297.427 3.533 30 20 CHED CCCCCCCCCC(=O)NCc1cccn1C 743790008 AAIZRYGSKOMLNF-UHFFFAOYSA-N 264.413 3.782 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 748677059 HQMXWTYILSEQOV-DLKVLKDVSA-N 269.344 3.599 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccnn2CC(C)C)cc1 843270103 WHPIGCDGXVSZMK-JXMROGBWSA-N 298.386 3.834 30 20 CHED N#CCN(C(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1 592651709 YXADANIIVOVVHI-GFCCVEGCSA-N 274.751 3.553 30 20 CHED C=CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(C)(C)C 598873154 UTKNBDHCXSNAAV-UHFFFAOYSA-N 290.363 3.638 30 20 CHED C=C[C@](C)(CC)C(=O)NCCC[C@H]1CC1(Cl)Cl 844960450 IZMHAIVPTJEJPI-CMPLNLGQSA-N 278.223 3.679 30 20 CHED C=CCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1ccccc1OC 840669120 MSQLOUWWQPGSAT-VHDGCEQUSA-N 274.360 3.697 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cc(Cl)ccc1O 915962690 PEBGQWXTYXLEER-UHFFFAOYSA-N 285.734 3.753 30 20 CHED Cc1ccc2c(CSCCC#N)cc(=O)oc2c1C 840211484 DGCXZCVCMKSNJC-UHFFFAOYSA-N 273.357 3.557 30 20 CHED CC#CCOc1ccc(-c2ccccc2)cc1C=O 742451751 AWNIXPUTCAKJPH-UHFFFAOYSA-N 250.297 3.568 30 20 CHED COc1ccc(/C=C\C(=O)c2ccsc2)cc1C 749104902 OXGQUYJFOSPGHU-HYXAFXHYSA-N 258.342 3.961 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)OCC(=O)c2ccc(C#N)cc2)C1 748270360 IULPEHBNKKSPBV-HIFRSBDPSA-N 299.370 3.501 30 20 CHED C=CCCSCCN[C@@H](c1ccc(F)cn1)C(C)C 595059406 NPQYJRPYHLFWPV-OAHLLOKOSA-N 282.428 3.817 30 20 CHED CCCCCCCn1ccnc1[C@H](O)c1cccs1 842055480 YLHWMOBJZUJUES-CQSZACIVSA-N 278.421 3.997 30 20 CHED N#CCOc1ccc(CNc2ccnc3ccsc23)cc1 742400599 FMPQXFUGBXFIJK-UHFFFAOYSA-N 295.367 3.811 30 20 CHED C=C(C)CON=C(C)c1ccc(NC(=O)NC(C)C)cc1 844617584 OHSOODCGENOJHE-UHFFFAOYSA-N 289.379 3.533 30 20 CHED C[C@H]1N(C(=O)c2cc(C#N)cs2)c2ccccc2C1(C)C 598273955 IURZHAQVMNXVJB-LLVKDONJSA-N 296.395 3.946 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CC(C1CCC1)C1CCC1 599082662 FGNMJOVGBGPSQR-CYBMUJFWSA-N 276.424 3.601 30 20 CHED CC(=O)c1ccc(C#N)cc1NCC(C)(C)c1cccnc1 840385669 RYSCKCOMCVIVRD-UHFFFAOYSA-N 293.370 3.546 30 20 CHED FC(F)(F)CCON=C1CCCc2sccc21 740872293 LYHTZSURGPSWJE-UHFFFAOYSA-N 263.284 3.758 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2ccc(C)cc21 683831663 BQQRVARDDWWLRH-DOTOQJQBSA-N 284.403 3.732 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCOc2c(F)cccc21 926244787 QAEXTDBHEHFRNP-FZMZJTMJSA-N 276.355 3.567 30 20 CHED C=C(CN[C@@H](CCCN)c1ccccc1)c1ccccc1 925636742 UINCTJMZKIWOSQ-IBGZPJMESA-N 280.415 3.770 30 20 CHED C[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)C(C)(C)C 748680837 XDAJMXQFYUHRGR-VXGBXAGGSA-N 259.349 3.845 30 20 CHED CC1(C)C[C@@H](C/N=C\c2cc(Cl)ccc2O)CCO1 840711615 XZCKYWPMQIWDMB-MTUBTWAWSA-N 281.783 3.670 30 20 CHED COc1cc(C)cc2c1OC/C(=C\c1cccc(F)c1)C2=O 920389880 PTFQWHWMIYCLGJ-MDWZMJQESA-N 298.313 3.801 30 20 CHED COc1ccc(C)cc1C(C)=NNc1cccc(F)c1 920385800 HKGHKDVVGTYGFA-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C#Cc1cccc(NC(=O)N2CC=C(C(C)(C)C)CC2)c1 759902554 PUYYMLBLAXCLLP-UHFFFAOYSA-N 282.387 3.878 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(O)c(C)c2)c1 759210647 UTUZPXXSXYXZBU-UHFFFAOYSA-N 288.322 3.684 30 20 CHED COc1ccccc1/C=C1/Cc2c(OC)cccc2C1=O 759663616 GYWXZWFGWJGTOK-RAXLEYEMSA-N 280.323 3.526 30 20 CHED Clc1cccnc1NN=Cc1c[nH]nc1-c1ccccc1 755657158 ZAJNPWXQISORAX-UHFFFAOYSA-N 297.749 3.571 30 20 CHED N#CCN(C(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 920976126 GVLUHZWSQUOEHJ-FLIBITNWSA-N 296.757 3.910 30 20 CHED C[C@@H](N[C@H](C)C1(Br)CC1)c1ccc(C#N)cc1 924786802 TWZJLGJAFVVAQA-GHMZBOCLSA-N 293.208 3.525 30 20 CHED CCCCCCCCCNC(=O)C[C@H]1CCCCO1 755132575 WBXATLIEYWEVGE-OAHLLOKOSA-N 269.429 3.812 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1ccc(O)cc1 755074562 HRCMVKIVQMPGGV-UHFFFAOYSA-N 292.423 3.894 30 20 CHED CCCCCCCCNC(=O)N1CCn2cccc2[C@@H]1C 755074791 ATMDGKFGTVESKC-HNNXBMFYSA-N 291.439 3.935 30 20 CHED CCc1ccc(-c2ccc(C(=O)O[C@H](C#N)C3CC3)o2)cc1 751177359 UDYDETOGVFMUKO-QGZVFWFLSA-N 295.338 3.968 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1csc(COC)n1 851142442 QLRHKOKGQVLOPO-WCQYABFASA-N 295.404 3.581 30 20 CHED Cc1ccccc1/C=C\C(=O)c1cc(F)ccc1[N+](=O)[O-] 752875661 QSAXIINLQHTHAL-TWGQIWQCSA-N 285.274 3.938 30 20 CHED CCC(CC)NC=C1C(=O)CC2(CCCCC2)CC1=O 920977120 YOSNTGOAKMNBOL-UHFFFAOYSA-N 277.408 3.531 30 20 CHED Brc1cncc(NN=C2CCCCC2)c1 758130621 USFXKNSAUSPUNL-UHFFFAOYSA-N 268.158 3.576 30 20 CHED C#CC[C@@H](NC(=S)NC1CCCCC1)c1ccccc1 756856282 MTJLXRGXFFTISU-MRXNPFEDSA-N 286.444 3.548 30 20 CHED CCCC[C@H](CC)C(=O)OCc1ccc(F)c(C#N)c1 758931210 FPHMOFXEUINJGW-ZDUSSCGKSA-N 277.339 3.957 30 20 CHED C=CCC(C)(C)C(=O)OC[C@@H](OC)c1ccc(F)cc1 859703866 HAIJTZNFPDDEDY-CQSZACIVSA-N 280.339 3.659 30 20 CHED C#CC[C@H](NC(=O)c1sccc1CC)c1ccccc1 757596570 IMOQMTJAIFFYBM-HNNXBMFYSA-N 283.396 3.805 30 20 CHED CC(=NNc1ccc(F)cn1)c1sc(C(C)C)nc1C 751133099 LSWIUVKUFNFBNR-UHFFFAOYSA-N 292.383 3.945 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2cscn2)cc1 769263552 HPVNTXUTMFNSPA-YVMONPNESA-N 273.357 3.826 30 20 CHED C[C@H]1CCCCC1=NNc1ccc(F)c([N+](=O)[O-])c1 769828480 IIUZWPGRTHMNFT-VIFPVBQESA-N 265.288 3.712 30 20 CHED Cc1cc2ccccc2nc1NN=C[C@@H](C)CCC#N 766028722 GLWDUWGEJGJILX-LBPRGKRZSA-N 266.348 3.881 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1cncc(Cl)n1 769569740 IFVMGOYWCMVFNV-UWVGGRQHSA-N 266.776 3.744 30 20 CHED C=CCOc1ccc(OC(=O)[C@H](F)c2ccccc2)cc1 769304808 ZFHUGKIPWBQTIE-MRXNPFEDSA-N 286.302 3.868 30 20 CHED CCOc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1 768371993 NJVFXORRDQCKFY-UHFFFAOYSA-N 289.375 3.962 30 20 CHED CC#CCCCC(=O)O[C@@H](CC)c1ccc(OC)cc1 767122698 UDBURSIFFYBVLY-INIZCTEOSA-N 274.360 3.883 30 20 CHED CCC/C=C\C(=O)OCc1ccccc1C(C)(C)C#N 768006898 FFDOQYCQWQUNOQ-WDZFZDKYSA-N 271.360 3.887 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](C)Cc1cccc(Cl)c1 761430423 JGXWEDNLCVBNDH-LBPRGKRZSA-N 294.778 3.597 30 20 CHED COCC[C@@H](Nc1nc(C)cc(C)c1C#N)c1ccc(C)o1 1116500577 LJNSCIFYCLHCEZ-OAHLLOKOSA-N 299.374 3.661 30 20 CHED CC(CCC1CCCCC1)=NNc1nncc(N)c1Cl 1116289098 TZOVZOVTJITUCJ-UHFFFAOYSA-N 295.818 3.861 30 20 CHED C#C[C@H](N[C@@H](C)c1cccc2ccccc12)[C@@H]1CCCO1 775571567 IKLFGRADKPQQRB-JVPBZIDWSA-N 279.383 3.671 30 20 CHED C=CC[C@H]1N(C(=O)c2csc(C#N)c2)CCCC1(C)C 1117757985 FTZFPCIWCFJZEZ-CQSZACIVSA-N 288.416 3.827 30 20 CHED CC(CCC1CCCCC1)=NNCCOC(C)C 778549801 FMIBQEMLBYFVGX-UHFFFAOYSA-N 254.418 3.737 30 20 CHED C#CCCCCCCNCC(C)(C)c1ccccn1 877558496 JKFUZUIXININSQ-UHFFFAOYSA-N 258.409 3.533 30 20 CHED C#CCCCCCC(=O)Oc1cccc(Br)c1 779705668 HNTNJDACQIFEFR-UHFFFAOYSA-N 295.176 3.938 30 20 CHED COCCC1(C/N=C/c2cccc(O)c2O)CCCCC1 773905720 LYWZCWOTCJQJGK-LDADJPATSA-N 291.391 3.504 30 20 CHED C1CCN([C@@H]2CCCCC2=NOC2CCCC2)CC1 774605858 ASWBASPNPRMAOV-MRXNPFEDSA-N 264.413 3.730 30 20 CHED CC(CCOCc1ccccc1)=NNc1ncccc1C 872368850 RLYKUGYXEKMJTL-UHFFFAOYSA-N 283.375 3.785 30 20 CHED C#CCOc1ccccc1NC(=O)CCCC(C)(C)C 775951982 VHIHUMQYSPMMKI-UHFFFAOYSA-N 273.376 3.854 30 20 CHED Cc1ccc(C=NNc2nc3ccccc3cc2C)o1 776786191 QZQLCJUAWJNPGO-UHFFFAOYSA-N 265.316 3.891 30 20 CHED C(=NOC1CCCCC1)c1cnc(C2CC2)s1 777456855 IBIQJCAVCJHWIS-UHFFFAOYSA-N 250.367 3.704 30 20 CHED COc1ccc(NC[C@H](C)CCC#N)cc1Cl 876819614 JNRXKCUZEOFHRU-SNVBAGLBSA-N 252.745 3.700 30 20 CHED C=CCC[C@@H](/N=C/c1ccc(O)c(O)c1O)c1ccccc1 771836097 JTFVNMXEDDOJKU-IYSPOMMRSA-N 297.354 3.930 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)c2ccccc2n1 1116888646 LTIMDNVOMTUOML-KSSFIOAISA-N 282.387 3.936 30 20 CHED C=C(CC)COC(=O)c1oc2ccccc2c1COC 773452417 OTIHYEPLTSTOCE-UHFFFAOYSA-N 274.316 3.702 30 20 CHED C#CC[C@@H](NCc1ccnc(Cl)c1)c1ccccc1 775399711 IWMZJNKCUKTFAI-OAHLLOKOSA-N 270.763 3.589 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H]1CC[C@H](C)C[C@H]1C 775487918 IVXJAWCEIXBSHS-BFHYXJOUSA-N 289.375 3.628 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2cccc(F)c2Cl)o1 771655984 UTRQVVVYGUEZLW-UHFFFAOYSA-N 298.657 3.531 30 20 CHED CC(=NNc1ccccc1Cl)c1ccc(F)cn1 770598767 KENDNKLYPFEDLN-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C#C[C@@H](NCc1cc(-c2ccccc2)cs1)[C@@H]1CCCO1 775340763 IFZGPRHVONLKDM-MSOLQXFVSA-N 297.423 3.686 30 20 CHED C=CCOC(=O)c1cccn1[C@@H](C)Cc1ccccc1 773709932 GRVIDQSNUYCEAW-AWEZNQCLSA-N 269.344 3.635 30 20 CHED C=CCc1cc(CN2CC[C@H](C)[C@H]2CC)c(O)c(OC)c1 774620200 VNVJJBWPCXDQJS-XJKSGUPXSA-N 289.419 3.750 30 20 CHED C=CCOc1ccc(OC(=O)C(C)(C)c2cccnc2)cc1 778295248 OWOCCRGFSXRMOR-UHFFFAOYSA-N 297.354 3.530 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C(F)(F)F)s1 1121160215 DQSLGYAGPKSIJX-QMMMGPOBSA-N 290.310 3.531 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H]1CCC(C)(C)C1 781568143 BZCWYYQYMOLDEM-CYBMUJFWSA-N 287.359 3.689 30 20 CHED Clc1ccnc(NN=Cc2ccc3cnccc3c2)c1 782269633 WNOKRBPKUNWLAG-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 788690562 JZQARGHNCJKBDC-VXGBXAGGSA-N 277.368 3.572 30 20 CHED CCOC(=O)Nc1ccc(N[C@H](C)[C@H](C)CC)cc1C#N 783661840 WUOQBUOMQNUYOC-VXGBXAGGSA-N 289.379 3.973 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ccnc(F)c1 781133072 MESFIMDDFUUYPV-UHFFFAOYSA-N 271.339 3.950 30 20 CHED CC1(CCC(=O)OC[C@H](C#N)Cc2cccs2)CC1 1122861815 RCXXPGUVHKRJGZ-LBPRGKRZSA-N 277.389 3.554 30 20 CHED CCCCS[C@H](C)C(=O)OCc1cc(F)ccc1C#N 785749689 RINNRFLHEUPPMX-LLVKDONJSA-N 295.379 3.662 30 20 CHED C#CCCCNCc1sccc1NC(=O)OC(C)(C)C 893093739 XVNKYUOWGXLAFB-UHFFFAOYSA-N 294.420 3.598 30 20 CHED C=C1CCC(C(=O)OCc2oc(C(C)C)nc2C)CC1 891087364 OOQRYXBUZXFPLF-UHFFFAOYSA-N 277.364 3.896 30 20 CHED C=C1CN(C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)C1 898695565 DVQTUHTXOILEHX-HNNXBMFYSA-N 294.398 3.726 30 20 CHED CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNC1CCCCC1 786043269 MGSWQDLSTFUNAC-GFCCVEGCSA-N 297.443 3.588 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCC(F)(F)C2)c1 799930991 BYMXYCSLMGTAFS-CQSZACIVSA-N 291.341 3.846 30 20 CHED C=CCN(CCOC)Cc1csc(-c2cccs2)n1 191764268 NELNRWUNZJPDGP-UHFFFAOYSA-N 294.445 3.506 30 20 CHED CC(=NNc1ncncc1F)c1cc(Cl)ccc1Cl 793217856 MGNHHKMOKDYPLK-UHFFFAOYSA-N 299.136 3.759 30 20 CHED CC(C)c1ccc(C=NNCCC(F)(F)F)cc1 794545184 HZKITOMIWNCTIV-UHFFFAOYSA-N 258.287 3.686 30 20 CHED CC[C@H](C)NN=C1CC(c2ccc(Cl)cc2)C1 790187698 GUOVVQRUAIQJCT-NUHJPDEHSA-N 250.773 3.962 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)CCCC)c1ccccc1 799976853 XEZUPJZGDAJUAJ-HOCLYGCPSA-N 257.377 3.694 30 20 CHED C=CC[C@@H](C(=O)OCc1cncc(F)c1)c1ccccc1 795594205 JKNKSZVMRNIXGA-MRXNPFEDSA-N 285.318 3.624 30 20 CHED CC(C)CN(CCCSCC#N)c1ccccc1 569636595 XYHFSPYCBOLHQD-UHFFFAOYSA-N 262.422 3.796 30 20 CHED COc1ccc(NN=C[C@@H](c2ccccc2)C(C)C)nc1 794535573 JWKVHBWWJXDSBA-MRXNPFEDSA-N 283.375 3.928 30 20 CHED CCOc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1OCC 799720309 FGPZHYHAETTWAJ-QWHCGFSZSA-N 274.364 3.588 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C/C(=O)c1cccs1 794927522 SFJUVQQFTSXCRR-AATRIKPKSA-N 286.352 3.959 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1c1cc(C)ccc1C 791058047 ALYBHDXYTZRTCS-WMZOPIPTSA-N 298.430 3.952 30 20 CHED CC(C)c1occc1C(=O)OCCOc1cccc(C#N)c1 796390795 NVNDUPJNBIICHK-UHFFFAOYSA-N 299.326 3.510 30 20 CHED N#Cc1cc(Cl)nc(N[C@@H]2CCCC(F)(F)C2)c1 695124188 NPLXQJQPIOTCST-SECBINFHSA-N 271.698 3.596 30 20 CHED Cc1c(Cl)cncc1N[C@H](C)CC(C)(C)C#N 695789994 YAJQRXFFYWXYIM-SECBINFHSA-N 251.761 3.784 30 20 CHED CCc1ccc(NCc2ccc(OC)c(C#N)c2)cc1 87822419 QYIITKALOWSMRD-UHFFFAOYSA-N 266.344 3.741 30 20 CHED CCN(Cc1ccccc1F)CC(C)(C)CCC#N 1319799268 XFLMNTLNKJTJFW-UHFFFAOYSA-N 262.372 3.978 30 20 CHED CCC[C@H]1CCCC[C@H]1CNc1cc(C#N)nc(C)n1 1163499233 BOBUHUOUOHUUMW-KBPBESRZSA-N 272.396 3.675 30 20 CHED C[C@H]1CCc2ccccc2N1CCNCC(C)(C)CCC#N 1319108237 OGRAHKGSLLXZTM-INIZCTEOSA-N 299.462 3.747 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1 1310872803 PZJQTNFCVFKRSB-DETPVDSQSA-N 285.391 3.813 30 20 CHED CC(C)(NC(=O)CC#Cc1ccccc1)c1cccc(F)c1 1319129093 YPJPFAGQURQXLS-UHFFFAOYSA-N 295.357 3.619 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1occ(C)c1C 1321832396 CPPHHRFYMNHCGQ-UHFFFAOYSA-N 294.354 3.597 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1nnc(C2CCCC2)o1 1324048847 HLSIVTMRUFBVGP-LLVKDONJSA-N 283.331 3.739 30 20 CHED N#Cc1cncc(N[C@@H](C2CCCCC2)C2CCC2)n1 1186815272 UQAXJMNEPUAGHY-INIZCTEOSA-N 270.380 3.509 30 20 CHED C[C@H](C(=O)N(c1ccccc1C#N)C1CCC1)C1CCC1 1333635378 PZQIUKGEQOPQKU-ZDUSSCGKSA-N 282.387 3.880 30 20 CHED N#Cc1cccc(N(C(=O)C2[C@H]3CCCC[C@H]23)C2CCC2)c1 1338057166 CALQHRLNPMRMEZ-IRXDYDNUSA-N 294.398 3.880 30 20 CHED CC/C(C)=C(\C)c1nnc(-c2cccc(C#N)c2)o1 1333075759 DFCLZALFHHHLAD-ZHACJKMWSA-N 253.305 3.812 30 20 CHED CS[C@H](C)CCC(=O)Nc1ccc(Cl)cc1C#N 1332581311 XZTPBCSUUQRLIQ-SECBINFHSA-N 282.796 3.682 30 20 CHED CN(Cc1cc2ccccc2[nH]1)C(=O)CCCCCC#N 1342429968 JHGRBIVWMUMQSY-UHFFFAOYSA-N 283.375 3.600 30 20 CHED CCCc1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2)s1 1265435172 WSFCALCVZDCTPI-UHFFFAOYSA-N 295.367 3.696 30 20 CHED CCCCCN(c1nnc([C@H](C)CCC#N)n1C)C(C)C 1262909981 IIKSRRYGZGJQOP-CQSZACIVSA-N 291.443 3.627 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1cncc(C)c1 1347464408 YVOOSSWRPOWSDZ-MRXNPFEDSA-N 272.392 3.656 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cc(Br)cs1 903032488 JCBIIVAGUZAXRL-VIFPVBQESA-N 299.237 3.855 30 20 CHED COc1ccc(NC(=O)c2cccc(C(C)C)c2)cc1C#N 1438722000 SHVJKIYNKMUGFZ-UHFFFAOYSA-N 294.354 3.943 30 20 CHED C=C(CC(C)C)C(=O)N1CCCO[C@H](c2ccccc2)C1 1351167520 ZCGRPYMUEOQCAC-KRWDZBQOSA-N 287.403 3.579 30 20 CHED C=CCCCN(CC)[C@H](C(=O)O)c1ccccc1Cl 1352777708 HJXTWZXCKZGKRU-AWEZNQCLSA-N 281.783 3.754 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(-n2cccc2)ccc1F 1351372694 QWRRSMIWZMXHPT-UHFFFAOYSA-N 299.349 3.885 30 20 CHED C=CCCCCCCCCN[C@@H]1CCN(C)[C@@H](C)C1 806175764 FDMLQUXMKDPIPW-DLBZAZTESA-N 266.473 3.975 30 20 CHED CCc1c(C)sc(NC(=O)c2cc(C)nc(C)c2)c1C#N 1517077735 HQEAXFHCKVCGRW-UHFFFAOYSA-N 299.399 3.755 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C(=O)O[C@@H](C)CC#N 1515115263 SRQAEVWSXUVMKN-QMMMGPOBSA-N 276.723 3.589 30 20 CHED Cc1ccc2c(c1)CN(c1nc(C)c(C#N)cc1Cl)CC2 1458475756 ZXWFFMZPJNVOKL-UHFFFAOYSA-N 297.789 3.786 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@H](C)C[C@@H](C)C1 1539773475 ZYWAAEDVQCECTQ-VXGBXAGGSA-N 296.846 3.636 30 20 CHED N#C[C@H](SCc1ccccc1C(=O)O)C1CCCC1 1601048616 GAVXQMXUUHROCX-AWEZNQCLSA-N 275.373 3.700 30 20 CHED CCc1ccc(C(C)(C)NC(=O)c2csc(C#N)c2)cc1 1533967559 OYGIFUVWSNPASG-UHFFFAOYSA-N 298.411 3.847 30 20 CHED C[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)C1CCCCCC1 1469736661 BJVLUYMEVUYGJF-RHSMWYFYSA-N 291.439 3.681 30 20 CHED C#CCN(C(=O)c1cc(C)cc(C)c1)C1CCCCC1 65777770 OAUDJRJQSMEZOQ-UHFFFAOYSA-N 269.388 3.712 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)c1ccccc1F 229749497 FUMCPMUPNQEFPL-UHFFFAOYSA-N 272.298 3.863 30 20 CHED C[C@H]1C[C@H](CCNc2ccc(C#N)nn2)CC(C)(C)C1 1642645535 LEDACGNXNLDDCM-STQMWFEESA-N 272.396 3.613 30 20 CHED C=C(CNC(=O)c1cc2c(C)cccn2c1)c1ccccc1 1642088823 ISWVWQZWMSHZOJ-UHFFFAOYSA-N 290.366 3.691 30 20 CHED Cc1ccccc1SC[C@@H](C)CN1CC[C@@](F)(C#N)C1 1642732264 URNNBZNDSIJCTB-XJKSGUPXSA-N 292.423 3.661 30 20 CHED COc1cccc2c(CN3CCC[C@@](C)(C#N)C3)cccc12 1652001234 MSSSBTYVJUOJMM-IBGZPJMESA-N 294.398 3.974 30 20 CHED COc1cccc2c1N(CCc1ccc(C#N)cc1)CCC2 1652743012 NPVVVDMOEBCZAP-UHFFFAOYSA-N 292.382 3.562 30 20 CHED C=C(Br)CN1CCCc2c(C)cc(C)cc21 1653695664 ASJGRPMUIZTHAI-UHFFFAOYSA-N 280.209 3.965 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2scc(C)c2C#N)c1 1669739929 ISCUZLVBVIQRJA-UHFFFAOYSA-N 299.399 3.867 30 20 CHED CN(CC1CC1)C(=O)Nc1scc(C(C)(C)C)c1C#N 1662080861 OBZUTCBJBUHMBV-UHFFFAOYSA-N 291.420 3.791 30 20 CHED Cn1cc(CN[C@H]2CCCC[C@H]2C(C)(C)C)cc1C#N 232314131 RNRFLGAUJPCROE-CVEARBPZSA-N 273.424 3.591 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2ncsc2c1 232891701 WTZIJRIDCXMKIE-UHFFFAOYSA-N 273.361 3.565 30 20 CHED O=C1/C(=C\c2ccc3ncccc3c2)COc2ccccc21 6191131 PDXPTQQVLUPHII-PTNGSMBKSA-N 287.318 3.894 30 20 CHED Cc1c(NN=C2CC[C@H](C)[C@H](C)C2)cccc1C(=O)O 1776087753 UFVODCYTMYIVLK-WDEREUQCSA-N 274.364 3.917 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2cccc(C(=O)O)c2)C1 1776036981 DQAQQIGIEZPEEG-CHWSQXEVSA-N 274.364 3.999 30 20 CHED CCc1cccc(/C=C2\CCc3occ(C(=O)O)c3C2=O)c1 1776974847 SIFFNYNTTCDLJG-UKTHLTGXSA-N 296.322 3.753 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@@H]2CCCc3ccccc32)C1 1776154634 OOIVXHMQKSBCMF-IEBWSBKVSA-N 299.414 3.807 30 20 CHED N#Cc1cccc(SCc2cccc(Cl)n2)c1 158716117 SLKZSSYEICOILW-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C[C@@H]1CCCCC1(C)C 158719635 BGEIRXPFVVOWDM-KBPBESRZSA-N 264.413 3.601 30 20 CHED CCCCCCCCC(=O)N1CC[C@H]2OCCC[C@H]2C1 163441282 QSRQQYUSDJRIGC-JKSUJKDBSA-N 281.440 3.765 30 20 CHED N#CCC[C@@H](NC(=O)NC[C@@H]1CC=CCC1)c1ccccc1 151389653 JDJLLEFLGKYYCC-NVXWUHKLSA-N 297.402 3.687 30 20 CHED COC(=O)c1occc1/C=C1\C(=O)c2cccc(C)c2[C@H]1C 157605643 QTAOWPXQNKBKGS-HOXUKUGESA-N 296.322 3.758 30 20 CHED CC#CCCSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 155679701 ZPLZWLNIAGNKJY-TZMCWYRMSA-N 277.437 3.843 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1c(F)cccc1F 157645685 LTOFEZBRFRZRFN-QWRGUYRKSA-N 252.308 3.507 30 20 CHED C=CCC[C@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1 154225651 MAVWJTLDHDXDQK-SFHVURJKSA-N 295.382 3.758 30 20 CHED C=CC[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 812724427 CUGYASQMVRDSAE-SOUVJXGZSA-N 296.455 3.576 30 20 CHED CCCCCCCCCCC(=O)N[C@H]1CCCNCC1 834579123 NCJLYNOWHYLNCZ-INIZCTEOSA-N 282.472 3.776 30 20 CHED C[C@H](Nc1ccc2c(c1)CCO2)c1ccc(C#N)cc1 37103826 NHSQVWMDUKARQO-LBPRGKRZSA-N 264.328 3.666 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCCc2sccc21 61366892 CEAMFZNYKYPQKP-LBPRGKRZSA-N 276.405 3.572 30 20 CHED N#Cc1cc(Cl)ccc1SC[C@H]1CCCOC1 601913641 QRDKXYOEUVQGJX-JTQLQIEISA-N 267.781 3.730 30 20 CHED CC1(C)CC[C@H]1Nc1cccc(OCCCC#N)c1 311886704 XHLZIGCUJNYSRJ-OAHLLOKOSA-N 258.365 3.970 30 20 CHED C=CCCC(C)(C)NC[C@@H]1CCOc2ccccc21 668778107 IMQMDNUEGWUEGT-AWEZNQCLSA-N 259.393 3.887 30 20 CHED COc1cc(CN(C)[C@H]2CCC(C)(C)C2)ccc1C#N 443061788 KBPUNNGDKVCIPS-HNNXBMFYSA-N 272.392 3.577 30 20 CHED N#Cc1c(Br)cccc1N[C@@H]1CC[C@H](F)C1 381820043 KOVJNVFELFJZCN-DTWKUNHWSA-N 283.144 3.623 30 20 CHED N#Cc1cccc(NCCCCC2CCOCC2)c1 388630396 HSMOCAQVWLWKRY-UHFFFAOYSA-N 258.365 3.567 30 20 CHED C=CCCN(OCc1ccccc1)[C@H](C)CCC#N 839575781 WSEMAXFAZDCGQJ-OAHLLOKOSA-N 258.365 3.689 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC[C@@H]2C(F)(F)F)cn1 426894678 CZAXYPUDPGNCDN-MFKMUULPSA-N 283.297 3.734 30 20 CHED Cc1cccc(C)c1NC(=S)NN=C1CCCCC1 6288158 UORYAGASLOIRFU-UHFFFAOYSA-N 275.421 3.910 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)CCc1ccccc1 58451563 OKHKBMLGDHFTKB-UHFFFAOYSA-N 293.370 3.573 30 20 CHED C=CCNC(=O)Nc1ccc(COCc2ccccc2)cc1 173703677 XUDTXOUQYATWJT-UHFFFAOYSA-N 296.370 3.711 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(OCC#N)cc1 1325775920 KQTYKPFSTVKWOU-RHSMWYFYSA-N 270.376 3.993 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)s2)c(OC)c1 176398759 ONMHRMCRPOGSDZ-SOFGYWHQSA-N 299.351 3.533 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H](C)C(C)C 172018984 WUBZSLYQZHEWIH-SMDDNHRTSA-N 296.370 3.660 30 20 CHED CCC[C@@H](NCc1cccc(C#N)c1)c1ccccn1 105432530 BOESMCBWJDUWTH-MRXNPFEDSA-N 265.360 3.584 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(COCC2CC2)c1 117003787 ZBFANNRYKWICPG-ZDUSSCGKSA-N 288.391 3.699 30 20 CHED C=CCCCSc1nnc(-c2cccc(C)c2)n1C 117548132 VCFWGCZDCBCWPZ-UHFFFAOYSA-N 273.405 3.849 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)[C@H](C)c1ccccc1Cl 69343795 NRWAMUMZCQJNQR-CHWSQXEVSA-N 295.810 3.841 30 20 CHED N#Cc1cccc(NCCOc2cccc3ccccc23)n1 301249165 AKDGQKDTQRSCDH-UHFFFAOYSA-N 289.338 3.597 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCCc2c(O)cccc21 302891342 PQIQBERANLYAQG-MRXNPFEDSA-N 289.338 3.625 30 20 CHED COc1ccc(NC(=O)c2ccccc2SCC#N)cc1 29486440 NMETXDOOTNPJHP-UHFFFAOYSA-N 298.367 3.563 30 20 CHED CCC[C@H](C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 113175601 RMCNIHFDHCZSTR-FZMZJTMJSA-N 278.783 3.847 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 116941784 FBBOYYIAINRSMC-MNOVXSKESA-N 298.333 3.613 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccc(C#N)s2)cc1 176402634 MGXLONSYLOVRHL-MDZDMXLPSA-N 283.352 3.915 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cn1 301562602 PADWITJDNMFNJZ-BXUZGUMPSA-N 287.725 3.714 30 20 CHED N#Cc1ccnc(S[C@H]2CCCc3ccccc3C2=O)c1 67429391 NBAUVZKAGCKMPW-HNNXBMFYSA-N 294.379 3.633 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc(OCCC)cc1 173424749 IAALQDKEUPLXRC-UHFFFAOYSA-N 289.419 3.833 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1cc(F)ccc1OC 124504681 RGUMQPUJPWZXOU-GFCCVEGCSA-N 291.366 3.780 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1Nc1cccc(C#N)n1 301857827 RYJUICJUIGUHGF-DIFFPNOSSA-N 281.334 3.828 30 20 CHED N#Cc1ccc(Oc2ccc3ncccc3c2)c([N+](=O)[O-])c1 67385394 XNOZVHXTKBYCGG-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C=CCCOCCNCc1ccc2cc(OC)ccc2c1 120815852 MNFLJANAPRSYHC-UHFFFAOYSA-N 285.387 3.531 30 20 CHED Cc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1F 301550856 QVBOYJYNIVKQCT-UHFFFAOYSA-N 261.687 3.798 30 20 CHED N#Cc1ccc(CNCc2cccc(C3CC3)c2)cc1F 404760881 NTZJIVRNUMFTQF-UHFFFAOYSA-N 280.346 3.865 30 20 CHED Cn1cc(CN[C@H](c2ccccc2)C(C)(C)C)cc1C#N 189583535 BGXHQJLNEPTAON-QGZVFWFLSA-N 281.403 3.774 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)CSc1ccc(C)cc1 186061614 JBQCGHJXIVOQBX-CQSZACIVSA-N 292.448 3.693 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(Br)c1 429933448 ZPNNZPJESMVTMH-UHFFFAOYSA-N 282.181 3.990 30 20 CHED Cc1ccc(CC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1C 75267995 KVTRPOIEVDKVOV-HNNXBMFYSA-N 292.382 3.595 30 20 CHED CCCC[C@H](NCCCSCC#N)C1CCC1 184869562 PVAHHQJMOBTWND-AWEZNQCLSA-N 254.443 3.582 30 20 CHED CC1(C)CCCN(Cc2cccc(OCCCC#N)c2)C1 121132764 MPLDBEQKIXUOSL-UHFFFAOYSA-N 286.419 3.991 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(CCC)cc1 218725026 VSDNCNRKVFNVLR-HNNXBMFYSA-N 288.435 3.864 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2cccc(C#N)c2C)cc1 509162816 PFADZTHHBHVTEN-CQSZACIVSA-N 278.355 3.666 30 20 CHED C=CCCCN[C@H](C[C@@H]1CCOC1)c1ccccc1 181214658 UUEUHJAOXSOCDD-DOTOQJQBSA-N 259.393 3.710 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C(F)F)c1 188468811 WBQBKDTYAVGKTD-HNNXBMFYSA-N 283.318 3.792 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc(O)c1 181090079 LTMBRSMERLEGBE-KGLIPLIRSA-N 290.407 3.839 30 20 CHED C#CCCCN[C@H]1CCCSc2ccc(OC)cc21 188087544 ILQOGPHJCLMJHN-HNNXBMFYSA-N 275.417 3.625 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1ccc(OC(F)F)cc1 185804665 VQGLUMBQESCXQM-NSHDSACASA-N 296.313 3.942 30 20 CHED N#Cc1c(Cl)cccc1SC[C@H]1CCCC[C@H]1O 412996948 GHUGLBAERYKPAS-ZWNOBZJWSA-N 281.808 3.855 30 20 CHED C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H](C)[C@@H]1C 416109648 ITKKFEQZGTVXKH-KFWWJZLASA-N 298.430 3.630 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 75308302 ZENXDCVPOYAJEF-KGLIPLIRSA-N 287.407 3.524 30 20 CHED C=CCOc1ccc(Br)cc1N[C@H](C#N)CC 414162342 DCVGDPZLEGVCMF-NSHDSACASA-N 295.180 3.728 30 20 CHED Cc1ccc(C#N)cc1OCC(=O)Nc1c(C)cccc1C 122960571 QUYSBBHYEKGGMJ-UHFFFAOYSA-N 294.354 3.501 30 20 CHED N#Cc1c(F)cccc1NCc1ccc(OC(F)F)cc1 35135005 YJNUSIVPNUNPGD-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 183954596 MMCMFLGQJWCRGE-INIZCTEOSA-N 295.386 3.516 30 20 CHED CCc1nc([C@@H](C)NCCCC(C)(C)C#N)cs1 184677522 URFXNEVSVGKUKJ-LLVKDONJSA-N 265.426 3.686 30 20 CHED Clc1cccc(CON=C2CCC3(CC2)OCCO3)c1 77377715 UVOZFUZQUIXNOH-UHFFFAOYSA-N 295.766 3.530 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(F)c(Cl)c1 187935348 FBIHVCYSPSMPSF-AWEZNQCLSA-N 269.747 3.698 30 20 CHED C=CCCCC(=O)N[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 506319020 YDKLZEYQVSXRBM-HDJSIYSDSA-N 291.366 3.553 30 20 CHED CN(C(=O)c1coc2ccccc12)c1cccc(C#N)c1 70379688 BQVDEOVRHNQCAM-UHFFFAOYSA-N 276.295 3.581 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(F)cc(Cl)c1 410138177 DBSSGKPMQQLRAP-LBPRGKRZSA-N 255.720 3.564 30 20 CHED CO[C@@](C)(C1CC1)[C@H](C)NCc1ccc(Cl)cc1C#N 411978526 ZCYOLGVDGWLZHJ-MEDUHNTESA-N 292.810 3.505 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 131649017 BWCTTZWRFLJUAK-ROUUACIJSA-N 299.414 3.791 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)N1CCCc2cc(C#N)ccc21 411004339 WIXUXWACPOANGD-HOCLYGCPSA-N 282.387 3.664 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(CN(C)C)cc1F 412557840 JVRANOQWNIIJKN-UHFFFAOYSA-N 290.382 3.594 30 20 CHED C=CCC[C@H](C(=O)Nc1ccc(C#N)cn1)c1ccccc1 187576810 SPVWDDCITLQPCD-INIZCTEOSA-N 291.354 3.642 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(CN2CCCC2)ccc1C 186068853 SCEQWRRUCFSYSH-UHFFFAOYSA-N 298.430 3.579 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)NCc1ccc(C#N)cc1 74435482 HEKBONGGBOKJIO-AWEZNQCLSA-N 284.403 3.781 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC1CC2(CCC2)C1 418142650 HPHRHXCFWJQHTJ-KRWDZBQOSA-N 266.388 3.858 30 20 CHED CC1(C)Cc2ccc(Br)cc2[C@@H]1NCCC#N 411756717 KTVMQSPHMHMDSF-ZDUSSCGKSA-N 293.208 3.576 30 20 CHED N#Cc1c(Cl)nsc1NCCc1c(F)cccc1F 48565550 CFMZYXKNNQPSOI-UHFFFAOYSA-N 299.733 3.601 30 20 CHED C[C@H]1CCCC[C@@H]1OCCNc1ccc(C#N)cc1F 506849182 CZMYAFUFNMPBKC-LRDDRELGSA-N 276.355 3.705 30 20 CHED CN(CCCc1ccccc1)Cc1cc(C#N)ccc1F 42146465 LDLXUIJQBGNOBX-UHFFFAOYSA-N 282.362 3.762 30 20 CHED CC(C)(C)C(=O)CSCCCOc1ccc(C#N)cc1 83096511 KZWUFKKHBUTHJH-UHFFFAOYSA-N 291.416 3.676 30 20 CHED C=CCC1(C(=O)Nc2ccc3scnc3c2)CCC1 190957295 ZPVWFZYPWZMAHP-UHFFFAOYSA-N 272.373 3.981 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCCc3sccc32)CC1 136603100 XIPCANWGHHCNSN-CQSZACIVSA-N 290.432 3.733 30 20 CHED CCC1(C(O)=Nc2ncn(C3CCCCC3)n2)CC1 329559299 LWRHEDUTDJKQEO-UHFFFAOYSA-N 262.357 3.562 30 20 CHED CCCN(CC#N)C(=O)c1oc2c(Cl)cccc2c1C 48953454 ALLTWAYNBDJBSI-UHFFFAOYSA-N 290.750 3.770 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1N=C(O)C[C@@H]1CCOC1 329850479 QGOVVUZSKBXQAS-AWEZNQCLSA-N 299.374 3.504 30 20 CHED C=CCC1(C(=O)N[C@H]2CCOc3c(F)cccc32)CCC1 190804614 WRIWZXXVNGFPHL-AWEZNQCLSA-N 289.350 3.512 30 20 CHED Cc1nnccc1N=C(O)c1csc2c1CC[C@@H](C)C2 329679988 RDUKALQGSIZWTR-SECBINFHSA-N 287.388 3.608 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCN(Cc2ccccc2)C1 192923132 RXFSAGIOLFGOGX-LNLFQRSKSA-N 286.463 3.699 30 20 CHED Cc1c(NC(=O)N(C)[C@H](C)CC#N)cccc1C(F)(F)F 135222204 DAXZTAVYTUDZIK-SECBINFHSA-N 299.296 3.780 30 20 CHED COCc1nc(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)cs1 329645408 IQCJMJQMCMQUNH-SDDRHHMPSA-N 294.420 3.563 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1Cc1ccccc1 136959296 BNCHJAROONREOX-BRWVUGGUSA-N 256.393 3.680 30 20 CHED CCOc1cccc(/C=C/C(=O)c2cccc(O)c2)c1 44025202 ORKRBMUZUOVHCJ-MDZDMXLPSA-N 268.312 3.687 30 20 CHED COCc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 192964420 VPHIXIHGUABXKI-CQSZACIVSA-N 296.370 3.908 30 20 CHED N#Cc1ccc2c(c1)[C@H](Nc1ccc3c(c1)CCN3)CC2 423219818 UOURTPXCVXKFJS-GOSISDBHSA-N 275.355 3.626 30 20 CHED C=CCN(CCc1ccco1)Cc1oc(CCC)nc1C 428350040 CPWZHJLFWIRIRO-UHFFFAOYSA-N 288.391 3.759 30 20 CHED C=CCCCCCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 518952747 VIMOCUGLXJJYHX-HZPDHXFCSA-N 263.425 3.766 30 20 CHED CCCN(CC#N)Cc1ccc(-c2ccc(C)cc2)o1 511477030 AMNPNAZXYSRZQE-UHFFFAOYSA-N 268.360 3.991 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CCC1 190424235 BNXRANMJYCZLDB-LSDHHAIUSA-N 273.351 3.544 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccnc(Oc2ccccc2)c1 517754024 ZXYRSWCMEHXRQB-HNNXBMFYSA-N 296.370 3.958 30 20 CHED CCc1nc(C)c(/C(O)=N/CC2C[C@H](C)O[C@@H](C)C2)s1 330524818 UVSVNMWPXFVIIS-UWVGGRQHSA-N 296.436 3.522 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 429127524 CKWKNRNCOUVDLB-UHFFFAOYSA-N 297.358 3.880 30 20 CHED Cc1ccc(C)c(OC(=O)c2cccc(CC#N)c2)c1C 97364239 YMROQCKZMZIMLS-UHFFFAOYSA-N 279.339 3.897 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 533716539 OEMRBMSEOGWUDS-LLVKDONJSA-N 274.339 3.852 30 20 CHED N#CCCN1CCc2ccccc2[C@H]1c1ccccc1 339608461 NVEVFENUYXBQLY-GOSISDBHSA-N 262.356 3.548 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cc(F)c(F)c(F)c1 337950386 CZHZBOIWQWOIEY-UHFFFAOYSA-N 290.244 3.536 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)c(C)c2)cc1O 97993038 UXSZLRVSUCTYIK-YVMONPNESA-N 282.339 3.914 30 20 CHED Cc1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)no1 336337131 JVFCFLUWISKMIX-MLGOLLRUSA-N 281.359 3.583 30 20 CHED CC(C)(C)C(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 331098810 DWLKIEITNHULCP-UHFFFAOYSA-N 298.386 3.938 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2ccc(F)cc2C#N)C1 331216138 OXJGOJGTZGXIMT-RYUDHWBXSA-N 274.339 3.852 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCCCC1CCCC1 432289192 MJONHTOMKLRLTB-UHFFFAOYSA-N 285.391 3.959 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 245924377 RZDXOUQOIRDXKM-KEYYUXOJSA-N 296.414 3.796 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC1CCCC1 247979786 GVCWOZJELGMEHX-UHFFFAOYSA-N 284.403 3.876 30 20 CHED C=CCN(CCC#N)Cc1cc(C)c(Br)s1 430088383 VOQWXRZWWUTVEH-UHFFFAOYSA-N 299.237 3.721 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)CCC(C)(C)C 605986144 WGDINTCKMANZLG-CYBMUJFWSA-N 254.418 3.809 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1cc(C#N)cs1 438479778 PSNZGXXXTYYSPV-LLVKDONJSA-N 276.327 3.686 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(C2CC2)C2(C#N)CCC2)C1 341586223 OLVHAMBLTWJWBF-ZIAGYGMSSA-N 274.408 3.640 30 20 CHED N#Cc1cc(F)cc(NCc2ccc(F)c3cccnc23)c1 600858338 OHWGFFUHHKTZCG-UHFFFAOYSA-N 295.292 3.997 30 20 CHED CC[C@H](C#N)OC(=O)/C(C)=C\c1cccc(Cl)c1 255169328 QJBGAJDRJHAQGQ-PGJNLMOESA-N 263.724 3.589 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cscc1Cl 602222920 ROJMIVQJGGZWOD-UHFFFAOYSA-N 256.758 3.670 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)Oc1ccccc1F 449178934 VKTHZFOQGZBXBR-CBCUQQMYSA-N 290.382 3.655 30 20 CHED N#CCCCN[C@H]1CCC[C@H](c2ccccc2)CC1 527690105 FOPHEMBTGGNCHN-IRXDYDNUSA-N 256.393 3.996 30 20 CHED CCN(CC#N)C(=O)c1sc2cccc(C)c2c1Cl 604481069 JUPZUKYCUUQOPS-UHFFFAOYSA-N 292.791 3.849 30 20 CHED COc1ccc(C=NNc2ccc3ccccc3n2)cc1 254495773 PLLLTPNUUSLCMD-UHFFFAOYSA-N 277.327 3.689 30 20 CHED Cc1cn2c(C=NOCc3ccccc3)c(C)nc2s1 254569554 QULVURAPAVYFHA-UHFFFAOYSA-N 285.372 3.563 30 20 CHED Cc1c(NC(=O)N(C)C[C@@H](C)C#N)cccc1C(F)(F)F 352970903 MSDXCRVVHDHFIL-VIFPVBQESA-N 299.296 3.637 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)C[C@@H](C)C1CCCCC1 600476586 PTXWMWIDEFFNJR-CJNGLKHVSA-N 264.413 3.601 30 20 CHED CCC(=O)c1cccc(N=Cc2cc(OC)ccc2O)c1 255292393 PVFGTBOCRCGOSL-UHFFFAOYSA-N 283.327 3.744 30 20 CHED C=C(C)CCNCc1cc(Cl)c(OCC)c(OC)c1 449473255 HGCYRZNGROZTQI-UHFFFAOYSA-N 283.799 3.803 30 20 CHED CCC(CC)n1ccc(CN2CCCC(C)(C)[C@H]2C#N)n1 444733951 XVASGKHWYGRNJB-MRXNPFEDSA-N 288.439 3.758 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 446640705 YNMISSXPZANUBK-MSOLQXFVSA-N 298.430 3.781 30 20 CHED N#C[C@H]1CC[C@@H](NCCn2ccc3cc(Cl)ccc32)C1 353864745 JGMFHKNPAMGAKK-SWLSCSKDSA-N 287.794 3.577 30 20 CHED N#Cc1c(Cl)cccc1SCCCc1cn[nH]c1 357052990 HVMZPGTZNKKMJG-UHFFFAOYSA-N 277.780 3.660 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1cc(C#N)cs1 350015086 LFUMZKJDDQAYSJ-JTQLQIEISA-N 274.414 3.801 30 20 CHED C=C(C)CN(C)C(=O)c1ccncc1Oc1ccccc1 441284955 LFFPSBWAOVCYQS-UHFFFAOYSA-N 282.343 3.522 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCCc1ccccc1 533039820 ORPYYRMEOPSIGQ-HNNXBMFYSA-N 291.460 3.775 30 20 CHED C=CCN[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 537052267 ZENVMBXFTRBEOL-CYBMUJFWSA-N 275.392 3.853 30 20 CHED C=C(CC)CSCC(=O)c1[nH]c(C)c(C(C)=O)c1CC 358639109 YKPQZSWQRGYCED-UHFFFAOYSA-N 293.432 3.970 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(C3CC3)cc2)C1 612319726 KQKKFGFGXLSTPS-QGZVFWFLSA-N 283.375 3.722 30 20 CHED C=C[C@H](C(=O)OC)N(C)Cc1ccccc1-c1ccccc1 619717275 SJPIFOGMCFSZDA-GOSISDBHSA-N 295.382 3.513 30 20 CHED CC(C)(C#N)CC(=O)NC1CCC2(CCCCC2)CC1 618700130 JERPKDBQYDXNSW-UHFFFAOYSA-N 276.424 3.936 30 20 CHED C[C@]1(C#N)CCCN(C(=O)NCCC2=CCCCCC2)C1 613373181 AHYLNKMMLUHDSE-QGZVFWFLSA-N 289.423 3.602 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC(CC)(c2ccccc2)C1 458223687 YQMIMMBLROGMAJ-QGZVFWFLSA-N 271.404 3.779 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc([C@H](C)C2CC2)no1 361272017 MJNGUFKOEVSNTA-GHMZBOCLSA-N 267.332 3.607 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1OC(C)(C)C 614479275 HNPDGJRGGKGQJQ-GDBMZVCRSA-N 287.403 3.947 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 455316857 WHGFSOQPSUNTPD-ZDUSSCGKSA-N 294.826 3.879 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(CC(F)(F)F)C1 457119869 OHSVXOWALYGSGI-UHFFFAOYSA-N 275.314 3.556 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2CCC(F)(F)CC2)c1 455958796 STLZHLMWBOOTLS-UHFFFAOYSA-N 293.317 3.566 30 20 CHED CC[C@@H](C)Oc1cc(CNCC(C)(C)C#N)ccc1OC 612584964 KSCVZCWNAANZKX-CYBMUJFWSA-N 290.407 3.512 30 20 CHED C#CCCCCNC(=O)N(CCC)Cc1ccc(F)cc1 268336910 OHUMORVQSWFRJS-UHFFFAOYSA-N 290.382 3.551 30 20 CHED C=CCC[C@H](NCCC[C@@H]1CCOC1)c1ccco1 453343325 DKBYQUWKRFCJSL-CABCVRRESA-N 263.381 3.693 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCCCC1(F)F 452307820 HLUPSODQAOCJSK-NSHDSACASA-N 259.340 3.530 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C[C@@H]1C=CCC1 362507537 AYIBCPUHYILNLC-KBAYOESNSA-N 294.398 3.641 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C1[C@H]2CCC[C@H]12 279888268 HMPQTFNVZVUWLN-HOTGVXAUSA-N 269.388 3.637 30 20 CHED C=CCSc1ccccc1C(=O)N1CC=C(C)CC1 362400730 FYPDVNONMZDDTL-UHFFFAOYSA-N 273.401 3.757 30 20 CHED C=CCC1(C(=O)Nc2cc(OC)ccc2OC)CCCC1 459840470 SKEBGFURJXKCRA-UHFFFAOYSA-N 289.375 3.779 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cncs1 271511746 NVTBOXJIAPAFRJ-TZMCWYRMSA-N 271.389 3.839 30 20 CHED C=CC[C@H]1N(C(=O)c2cc[nH]c2C)CCCC1(C)C 278487050 VMLIQOVXPXQSNF-CQSZACIVSA-N 260.381 3.530 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)c(Cl)c1C 612233353 QGWGRYRGZVPCPZ-INIZCTEOSA-N 290.794 3.723 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 459282489 BMEQDZPQPUJKGR-QLFBSQMISA-N 264.413 3.563 30 20 CHED COc1cccc([C@H]2C[C@H](C)CN2CC2(C#N)CCC2)c1 450708221 CDLLKEANPRIVFW-WMLDXEAASA-N 284.403 3.772 30 20 CHED C=CCCCCNCc1cc(OC)c(OCC)c(OC)c1 274418194 GHAGDQVFIHBCFI-UHFFFAOYSA-N 293.407 3.548 30 20 CHED C=C(CC)CNC(=O)N1CC2(CCC2)c2ccccc21 459089126 KKPCVAPDFPHWOO-UHFFFAOYSA-N 270.376 3.604 30 20 CHED N#CCCCNCc1ccc(Cl)c(C(F)(F)F)c1 273046333 JMSOLEGXFRMFDR-UHFFFAOYSA-N 276.689 3.752 30 20 CHED N#Cc1ccc(-c2nc(-c3cccc4cnccc34)no2)cc1 545792322 XOVQEVDMXREDEB-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CC#CCCOc1ccc(Cl)cc1C(=O)CC 545904335 YRDQYIRRUOHFSK-UHFFFAOYSA-N 250.725 3.725 30 20 CHED CC#CCN(C)C(=O)Nc1cccc(-c2nc(C)cs2)c1 454672352 IOXPAYOIJAKXBQ-UHFFFAOYSA-N 299.399 3.606 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 451220072 WCNGXIGVQIWVNM-IAISJRAMSA-N 282.387 3.713 30 20 CHED N#C[C@]1(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CC12CCCC2 459869093 BHNNSQXJZCDBDO-VKJFTORMSA-N 286.419 3.642 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@H](OC)c1ccc(F)cc1 543632355 OBNADCMJYKDZLB-ZENOOKHLSA-N 265.372 3.846 30 20 CHED C=CCCOCCN[C@H]1CCc2cc(F)c(Cl)cc21 623924944 STQWNUIBGCUZCS-HNNXBMFYSA-N 283.774 3.649 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(CC(C)C)CC(C)C 451394676 SURAOUMAZYZJSX-RDJZCZTQSA-N 295.467 3.792 30 20 CHED C=CCCC(C)(C)NC(=O)c1cn(-c2ccccc2)nc1C 620861439 QBEAEQNIGZBFQL-UHFFFAOYSA-N 297.402 3.655 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OCCC)cc1C 454559919 ZCMMJQRNZFDMMG-UHFFFAOYSA-N 276.380 3.872 30 20 CHED CC[C@H](CC#N)N[C@@H](CCc1ccccc1)C(F)F 273836184 GUVXAHRWPSBODY-KGLIPLIRSA-N 266.335 3.535 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2cccc(Cl)c2C1 458728893 IQRUMXPPDUYUNW-CYBMUJFWSA-N 292.810 3.762 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C=C)c1ccccc1 281129108 TZHYQUKGEKQVTD-HOCLYGCPSA-N 257.377 3.817 30 20 CHED C=C[C@@H](C)NC(=O)NCc1ccc(Oc2ccccc2)cc1 465225558 RXLYYYGGCZLFEV-CQSZACIVSA-N 296.370 3.853 30 20 CHED C[C@H](CC1CCCC1)C(=O)N[C@](C)(C#N)C(C)(C)C 464171688 WEJPBWCMOMYQIQ-MLGOLLRUSA-N 264.413 3.647 30 20 CHED C=CCCc1noc([C@@H](C)OCc2cccc(C)c2)n1 632153238 KDZACTJRRJJCEW-CYBMUJFWSA-N 272.348 3.774 30 20 CHED CC(=NOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 381813094 BDNBZRVOQKXITI-UHFFFAOYSA-N 270.288 3.536 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C[C@@H]1CCc2ccccc2C1 464162307 MOLRTXGMGMZOAD-KUHUBIRLSA-N 298.430 3.626 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 288604973 MTANDMFQBNFHPT-DGCLKSJQSA-N 288.391 3.747 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1N=c1[nH]ccc(C#N)c1Cl 553145383 VHNDWPMSBTXRGX-MEDUHNTESA-N 297.789 3.764 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)c(O)cc1F 287115461 YIGMUKIROXIUTK-CYBMUJFWSA-N 271.719 3.726 30 20 CHED CCc1c(NCc2ccccc2C#N)cnn1CCC(C)C 550989339 LTMYLPYYNAKSEH-UHFFFAOYSA-N 296.418 3.975 30 20 CHED CC(C)(C#N)CCSCc1cccc(Cl)n1 289436881 RSPLQARTLNHILL-UHFFFAOYSA-N 254.786 3.908 30 20 CHED COc1ccc(Cl)c(CSc2ccc(C#N)cn2)c1 478513772 CBKMQHWLQOSWQS-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1c1ccnc(C#N)c1 294877837 FRHIDUONBBATNR-HBNTYKKESA-N 283.297 3.509 30 20 CHED C=CCC(C)(C)c1noc(Cc2cccc(OC)c2)n1 556365626 ZOGOQNJJVGHZQY-UHFFFAOYSA-N 272.348 3.523 30 20 CHED N#Cc1ccc(CN(C(=O)C=C2CCCCC2)C2CC2)cc1 299150702 YKIFHKKKKFQFIU-UHFFFAOYSA-N 294.398 3.940 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C[C@@H](C)CC(C)C 804835815 BSCCCLHTMZMGDD-INIZCTEOSA-N 271.404 3.721 30 20 CHED C=CC[C@@H]1N(C(=O)CCC(F)(F)F)CCCC1(C)C 470298142 LWPOIYJGPAFQHU-NSHDSACASA-N 277.330 3.922 30 20 CHED C=CCC1(C(=O)Nc2ncc(Cl)cc2C)CCC1 291474055 POSVMMMYUIEEMD-UHFFFAOYSA-N 264.756 3.728 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2ccncc2C)cc1 292695870 GHNKMWZCJWRCOM-OAHLLOKOSA-N 268.385 3.925 30 20 CHED N#Cc1cc2c(nc1NC[C@H]1CCCC1(F)F)CCCC2 390885912 YEBIRDJIYOHSJW-CYBMUJFWSA-N 291.345 3.679 30 20 CHED CC[C@@H](NC[C@H](O)C1CCCCC1)c1ccc(C#N)cc1 562593590 QFUGXXSDHDXIOJ-MSOLQXFVSA-N 286.419 3.540 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)[C@H](C#N)CCc1ccccc1 563761938 DVSSCRZRPOOKNT-IRXDYDNUSA-N 298.430 3.701 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 294460011 SAWLFYXQGDRTTL-IAGOWNOFSA-N 284.403 3.733 30 20 CHED C#C[C@H](NC(=O)CCCCC)c1ccc(Cl)cc1F 804414832 RMERYUBRBWGWRA-AWEZNQCLSA-N 281.758 3.850 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](c2ccccc2C)C1 294686385 XCRYWAGWHAVYFF-AWEZNQCLSA-N 257.377 3.523 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 644583443 CLDQMTKEDFWPIR-DGCLKSJQSA-N 261.365 3.622 30 20 CHED CCSc1ccccc1C(=O)[C@@H](C#N)c1ccccn1 642280780 OZQGFKIHUKVZAC-ZDUSSCGKSA-N 282.368 3.684 30 20 CHED C=CCCCCCCCN[C@H]1CCCc2c1cnn2C 810243634 RXYKPOIXPXYIJL-INIZCTEOSA-N 275.440 3.914 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1CCCCC 487683965 FJXICCFJBASRJF-ZIAGYGMSSA-N 252.402 3.705 30 20 CHED CC1CC(C#N)(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)C1 562743594 XJBAEUHQMIQCIL-OGFXQLCQSA-N 296.414 3.626 30 20 CHED CCc1nc(C(C)C)ccc1COC(=O)[C@](C)(C#N)CC 815244796 PLYGXNZRLFUUNO-KRWDZBQOSA-N 288.391 3.750 30 20 CHED C[C@H](NN=C1CCCc2cc(F)ccc21)c1ccncc1 819816795 PATVVSWSOKMSLR-LBPRGKRZSA-N 283.350 3.612 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@](CO)(C(C)C)C1 819045008 USKXRGBPXMGSNY-GOSISDBHSA-N 297.483 3.994 30 20 CHED C=CCCC1(C(=O)N2CCCc3c(F)ccc(F)c32)CC1 483850609 JUSRJUCXUUTHOO-UHFFFAOYSA-N 291.341 3.990 30 20 CHED O=[N+]([O-])c1ccc(-c2ccc(C=NOC3CCC3)o2)cc1 812235672 MYUDHQYNPMBLRV-UHFFFAOYSA-N 286.287 3.758 30 20 CHED C[C@@H](O)c1cc(NCc2cccc(C#N)c2F)ccc1F 814238526 TZGCKPFWRFLUFB-SNVBAGLBSA-N 288.297 3.502 30 20 CHED CCC1(CC)CN(C(=O)Nc2scc(C)c2C#N)C1 579243892 QFZBXHWWYTVGTL-UHFFFAOYSA-N 277.393 3.582 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NOC/C=C\Cl 811667871 FXRWYWGWTXCOAJ-JLKWVEIZSA-N 266.703 3.718 30 20 CHED Cc1cc(/C=C2/Oc3ccc(F)cc3C2=O)ccc1F 729151768 XKNZPSKBSAUWBK-VIZOYTHASA-N 272.250 3.889 30 20 CHED C=C(CNC(=O)c1cc(C=O)c(C)cc1C)c1ccccc1 813623570 YQRWMWUYRNBAQY-UHFFFAOYSA-N 293.366 3.559 30 20 CHED FC(F)C1CC(=NNc2cc(Cl)nc(Cl)c2)C1 819828825 QYDWSJULSUANBQ-UHFFFAOYSA-N 280.105 3.831 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 812200712 ZPWNAXDPLHGKAC-CVEARBPZSA-N 298.430 3.550 30 20 CHED C#Cc1cccc(NC(=S)NNc2cc(C)ccc2C)c1 726445859 SPEXRXYFLBSOAE-UHFFFAOYSA-N 295.411 3.598 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 826946929 LXOZEVZYDVEQFI-JKSUJKDBSA-N 284.403 3.766 30 20 CHED Clc1ccc(C=NNCCCc2ccccc2)cc1 729145890 GCPNXQZVPAOXHL-UHFFFAOYSA-N 272.779 3.896 30 20 CHED C=CCC(C)(C)C(=O)OCC[C@]1(C)C[C@]1(F)Cl 822041869 RSVIEFYYXKNMKI-CHWSQXEVSA-N 262.752 3.837 30 20 CHED N#CCCC1CCN(C(=O)Nc2cc(C3CC3)ccn2)CC1 572480977 IQQFPHJWBWTNPU-UHFFFAOYSA-N 298.390 3.507 30 20 CHED C=CCCN(C)C(=O)NCC(C)(C)c1ccc(C)cc1C 494427766 SRRRKTBBZJPUSA-UHFFFAOYSA-N 288.435 3.799 30 20 CHED Cc1cc(C)cc(C=NNCCCOc2ccccc2)c1 729148047 REOGQZPTCQDLPG-UHFFFAOYSA-N 282.387 3.696 30 20 CHED C=CCn1c(CC)nnc1N(C)[C@@H](C)c1cc(C)ccc1C 580802441 AOAPGZHTJZURKY-HNNXBMFYSA-N 298.434 3.841 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 499496255 HJBHFPKRYGBQDC-KGLIPLIRSA-N 274.408 3.615 30 20 CHED C=C(C)CN1CCc2nc(-c3ccccc3)sc2C1 661549247 RNOXZVPHFSRCEE-UHFFFAOYSA-N 270.401 3.744 30 20 CHED C#Cc1cccc(N(CC)C(=O)/C=C\c2ccsc2)c1 728480886 SXJMBQUDQLJPIV-HJWRWDBZSA-N 281.380 3.796 30 20 CHED CC(C)c1ccc(C(=O)NCc2ccc(CC#N)cc2)s1 583382457 CDJPIVNNRSDYHF-UHFFFAOYSA-N 298.411 3.868 30 20 CHED CCC(CC)[C@H]1C[C@H](Nc2snc(C)c2C#N)CCO1 588013244 HISVAZIEGAWIFF-TZMCWYRMSA-N 293.436 3.719 30 20 CHED CCc1ccc(C=NNc2cccc(OC)c2)cc1 725853072 DQVQSWCXEZKUSK-UHFFFAOYSA-N 254.333 3.704 30 20 CHED CCOc1ccc(NC(=O)CCCCCC#N)cc1OC 588148083 UVSZIZFFVUZLDO-UHFFFAOYSA-N 290.363 3.506 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NN[C@H]1CCCC1(C)C 901232368 ZFCVNCQNDCKTOZ-HNNXBMFYSA-N 276.428 3.583 30 20 CHED N#CCCC1CCN(CC#Cc2cccc(Cl)c2)CC1 582179069 IQHBLXLKJIWPJH-UHFFFAOYSA-N 286.806 3.707 30 20 CHED CN(C)Cc1ccc(-c2csc(CC#N)c2)cc1 904751393 FGRMBWCNLAQXOC-UHFFFAOYSA-N 256.374 3.543 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)C1CCCC1 733076671 VNMIGSLOGXTGPM-UHFFFAOYSA-N 252.308 3.621 30 20 CHED CC(C)C[C@@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 497215687 RQCUKPXSAQUTIJ-MRXNPFEDSA-N 286.419 3.824 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNCCCc1ccccc1 901190047 RJDYJZLZXRWAMK-UHFFFAOYSA-N 298.434 3.637 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(Cl)cc1 490121798 YZDNLVJQRPCGTD-UHFFFAOYSA-N 260.724 3.580 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1sccc1C 733747341 JPEKLMALRRGTGG-UHFFFAOYSA-N 281.384 3.863 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(C#N)cc1OC)[C@H](C)CC 904247044 YBVCXOCTYRRWJI-BETUJISGSA-N 288.391 3.606 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCc2ccc3[nH]ccc3c2)C1 839049223 FJXOARLGJZPKRU-GOEBONIOSA-N 296.370 3.726 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1cccc(C#N)c1F 580377771 PNTYFTLPSPBSEE-ATCWAGBWSA-N 260.356 3.612 30 20 CHED C=C(Cl)COC(=O)c1nc(-c2ccccc2F)oc1C 738672502 SNCYKKFGWMAIPC-UHFFFAOYSA-N 295.697 3.698 30 20 CHED CC(C)[C@@H]1CCCCC1=NN[C@H](C)C(F)(F)F 835000662 LMZPTGITYBKQIO-ZJUUUORDSA-N 250.308 3.729 30 20 CHED COc1cccc(NN=C(C)c2ccc(F)cc2C)c1 731314419 LVFLKGJHBYTQPI-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C=CCOc1ccc(C(=O)NCC(=C)c2ccccc2)cc1 672479593 BUTNAPIBPXZHLE-UHFFFAOYSA-N 293.366 3.695 30 20 CHED C=CCNC(=S)N(c1ccccc1)[C@@H](C)C(C)C 905572190 VHNANLMUQNPBNV-ZDUSSCGKSA-N 262.422 3.598 30 20 CHED C=CC(C)(C)COC(=O)c1coc(-c2ccccc2)n1 835724363 JKFGTKFQEAPNDT-UHFFFAOYSA-N 271.316 3.711 30 20 CHED C#CCCCOC(=O)c1cc(Cl)c(Cl)cc1OC 750689541 OMAGQXKBNBQCBF-UHFFFAOYSA-N 287.142 3.572 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C(C)C1CCCC1 733076320 LPBBGISKOCQQMO-UHFFFAOYSA-N 277.324 3.581 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CCC(O)CC1 735880121 NWSPUGNEUIWHFJ-KHPPLWFESA-N 281.440 3.667 30 20 CHED C=CCc1ccccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 916859575 ZCBPKXIYIVRZRS-UHFFFAOYSA-N 297.310 3.851 30 20 CHED CCC(CC)NN=Cc1ccc(Br)cc1F 734366273 LHBKVBKXTFBHCD-UHFFFAOYSA-N 287.176 3.700 30 20 CHED CC(C)(C)C#CC(=O)OCc1cccc(C(F)F)c1 838371226 GWKYNQBHGXKKEV-UHFFFAOYSA-N 266.287 3.717 30 20 CHED Cc1cc(-c2ccccc2OC[C@H]2CCOC2)ccc1C#N 592986045 KNNOBFQMVMSWHT-HNNXBMFYSA-N 293.366 3.949 30 20 CHED CC(=NNc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 916268117 KKVQMTVOYSAXSS-UHFFFAOYSA-N 273.267 3.570 30 20 CHED O=C1/C(=C\c2ccc(O)c(Cl)c2)Oc2ccccc21 742437222 SYZIXDDBJMMCQR-RIYZIHGNSA-N 272.687 3.662 30 20 CHED C[C@@]1(F)CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 591926674 HXBAAQPFAFFPKX-OAHLLOKOSA-N 289.741 3.698 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C1CCC1)C1CCC1 594038294 OCSMNOLVLWSXPF-CQSZACIVSA-N 296.414 3.670 30 20 CHED C[C@@H](C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 593015993 GHRKYGUJJKMMAB-GFCCVEGCSA-N 290.794 3.786 30 20 CHED Cc1nc(C)c(C(=O)OCCC2(C#N)CCCCC2)s1 840119724 TVEPVBPBJOLIMM-UHFFFAOYSA-N 292.404 3.781 30 20 CHED N#CCN(C(=O)[C@H]1CC12CCCC2)c1ccc(Cl)cc1 592650920 PKCKDFOYLASEJH-CQSZACIVSA-N 288.778 3.777 30 20 CHED C=CCCC(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 741321328 LCPSVTDRNWPTDF-GFCCVEGCSA-N 271.316 3.912 30 20 CHED CCN(C(=O)CSc1ccc2ccccc2c1)[C@@H](C)C#N 598346534 KNIYONZFUITINZ-ZDUSSCGKSA-N 298.411 3.692 30 20 CHED Oc1ccc2ccccc2c1/C=N/[C@H]1CC12CCOCC2 840709468 MXIOIEPTQCSHAT-DAQNXSASSA-N 281.355 3.533 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)Cc2ccccc2C)c1 916673358 DADXJARFQPVMSP-OAHLLOKOSA-N 292.382 3.729 30 20 CHED C[C@H](C#N)N(Cc1ccc(C(F)F)cc1)C1CC1 595709063 CDQODEXWEKOQAD-SNVBAGLBSA-N 250.292 3.501 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)CC1(C#N)CCCCC1 597758517 BJBXOBPSFACTFQ-ZBFHGGJFSA-N 276.424 3.936 30 20 CHED CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](CC#N)C1 595616733 WQBPIWGVBWVYED-CJNGLKHVSA-N 260.356 3.902 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)c1c(C)n[nH]c1C 910089068 VATNFTIDJFCHEN-LBPRGKRZSA-N 279.428 3.954 30 20 CHED CCCCCCCCCN(C)c1ccc2nnc(C)n2n1 918735869 PISFDZSDVGXUTO-UHFFFAOYSA-N 289.427 3.620 30 20 CHED CCCCCCSc1nc(C(=O)OCC)ccc1C#N 915795296 DCIBIIRGBORCPO-UHFFFAOYSA-N 292.404 3.802 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCCCC(F)F)n1 1333838805 RWCYHKGTMXEURQ-UHFFFAOYSA-N 267.323 3.708 30 20 CHED C[C@@H]1CCC[C@@H](NC(=S)NN=C2CCCCC2)[C@@H]1C 916352680 UUKHLDGWVMRFFI-YRGRVCCFSA-N 281.469 3.595 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C=C(/C)C1CC1 743683183 APPBDBSAWAPSEY-PFONDFGASA-N 269.388 3.600 30 20 CHED C#CCCOC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 747107558 VUACHARVSYOGEY-VIFPVBQESA-N 271.143 3.663 30 20 CHED CCN(C(=O)Cc1cc(C)cc(C)c1)c1ccc(C#N)cc1 598814746 HKXHCEGMJKLEOS-UHFFFAOYSA-N 292.382 3.771 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C/C1CCCC1 843534926 ANJPNXHYGBVPSO-CSKARUKUSA-N 284.359 3.642 30 20 CHED CC[C@H](C#N)C(=O)N1CCCc2cc(C(C)(C)C)ccc21 845906721 SQUODVCLAVAJNQ-CYBMUJFWSA-N 284.403 3.813 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC(C)(C)CC2)n1 741764323 ZPPZJJIOENZSRF-UHFFFAOYSA-N 266.776 3.807 30 20 CHED C=CCN(Cc1cnc2ccccn12)c1ccccc1 682784020 FYFKLPWNVDNJPS-UHFFFAOYSA-N 263.344 3.527 30 20 CHED O=[N+]([O-])c1cc(C=NNc2ccc(Cl)cc2)cs1 917530311 CCANMYHYJWKIDG-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H]1CCc2ccccc21 684939697 UUTUFNDNDPVMOK-GJZGRUSLSA-N 257.377 3.577 30 20 CHED C[C@H](C(=O)OCCCCC#N)c1ccc(Cl)cc1 845333561 ICKKIZXUWNSVBD-NSHDSACASA-N 265.740 3.681 30 20 CHED CCCCc1ccc(C(C)=NNc2ncccn2)cc1 912974368 SCMMPTMDRMYDSO-UHFFFAOYSA-N 268.364 3.655 30 20 CHED Cc1cccc(Cl)c1NN=Cc1cnc(C2CC2)nc1 841640066 CIWXPZNKMMHCQK-UHFFFAOYSA-N 286.766 3.762 30 20 CHED N#Cc1ccc(Oc2nc(C#N)c(Cl)s2)c(Cl)c1 590571262 FOZDBBPSRLBNCV-UHFFFAOYSA-N 296.138 3.986 30 20 CHED C#CCN(Cc1sc(C)nc1C)[C@@H]1CCc2ccccc21 741777372 VLLXCVRPSGAJOE-QGZVFWFLSA-N 296.439 3.883 30 20 CHED CC(C)(CC#N)CNCc1csc(C(F)(F)F)c1 598980547 FUIFWOYJVRAQNF-UHFFFAOYSA-N 276.327 3.796 30 20 CHED CC(CCCCC#N)=NNc1cccc(F)c1F 841625536 KNSZXUVUYQOBOF-UHFFFAOYSA-N 251.280 3.837 30 20 CHED C=CCCSCCNC(=O)c1cccc(F)c1Cl 597967772 DRDPCSQEIQQDFD-UHFFFAOYSA-N 287.787 3.518 30 20 CHED C=CCC1(C(=O)Nc2cc(O)c(C)cc2C)CCC1 682934336 PYJTYLDSEFJYAG-UHFFFAOYSA-N 259.349 3.694 30 20 CHED CC[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)OC(C)(C)C 843265521 WRNZHEABALTJND-UWONZBIMSA-N 297.782 3.585 30 20 CHED CN(C)c1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1 749746688 PFOYTNLTGTUGHK-SXGWCWSVSA-N 283.302 3.508 30 20 CHED CC#CCOC(=O)C(C)(C)c1ccc2ccccc2c1 745416485 VVLSGTOFGIUFOY-UHFFFAOYSA-N 266.340 3.684 30 20 CHED C=C[C@H](C)ONC(=O)[C@H](CC)Oc1ccccc1C(C)C 846543881 CVPGHQHXHJRAQH-ZFWWWQNUSA-N 291.391 3.590 30 20 CHED CCON=C(Cc1ccccn1)c1ccc(Cl)cc1 745202512 PSDFQWOUHSVPNN-UHFFFAOYSA-N 274.751 3.718 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cc(OC)no1 926591413 LJIOUVRDRUVSSX-UKRRQHHQSA-N 286.375 3.521 30 20 CHED COc1ccc(CN(CCC#N)CCC(C)C)c(C)c1 752858868 ZDAQPVQQGMDMGD-UHFFFAOYSA-N 274.408 3.765 30 20 CHED CC(C(=O)OCc1ccc(C#N)cc1F)=C1CCCC1 754161197 OUHMMOZIHIMZPY-UHFFFAOYSA-N 273.307 3.631 30 20 CHED C=CC[C@H](C(=O)OCCOCC(C)C)c1ccccc1 759702126 WCNPULUXXHTZAT-INIZCTEOSA-N 276.376 3.562 30 20 CHED CC[C@H](/N=C\c1cc(OC)ccc1O)c1ccc(OC)cc1 920947913 ZFMAUEKVSKFJQL-LSPINASFSA-N 299.370 3.980 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)OCc2cc(C#N)ccc2F)C1 750243053 SDGAXTCEONWPLH-QWHCGFSZSA-N 289.350 3.957 30 20 CHED CCC(Cc1ccc(Cl)cc1)=NOC[C@H]1CCOC1 853337173 CSQYCGPQFKPIJO-ZDUSSCGKSA-N 281.783 3.702 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 754432865 YBGQHASSFKPKLL-STQMWFEESA-N 294.443 3.856 30 20 CHED C#CC[C@@H](OC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1ccccn1 850819110 KFRKGBVNDHNCOH-ATLSCFEFSA-N 297.398 3.906 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc(C#N)cc2)co1 752891868 VNQNVCMUQDDOSK-BQYQJAHWSA-N 266.300 3.566 30 20 CHED Fc1ccc(CON=C[C@@H]2CC2(Cl)Cl)cc1 853333101 CKPXIISLGRHGGK-VIFPVBQESA-N 262.111 3.522 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(O[C@@H]2CCOC2)cc1 925879072 TYSZIZUYAKLBFS-XJKSGUPXSA-N 288.391 3.595 30 20 CHED C#C[C@@H](CC)NC(=O)c1cc2ccccc2c2cccnc12 754354345 QWGYFPZUNGIHAC-AWEZNQCLSA-N 288.350 3.530 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc2ccsc2[nH]1 851214425 ZLBKTZWPYOXCSZ-SECBINFHSA-N 276.361 3.715 30 20 CHED CCCCCC[C@H](CC)C(=O)N(CC)CCC#N 750008649 WWCWONJVEBQEBA-AWEZNQCLSA-N 252.402 3.745 30 20 CHED C#CC[C@H](NC(=O)N[C@H]1CCC[C@@H]1CC)c1ccccc1 757041943 KVTJPASWDCUMRZ-XIRDDKMYSA-N 284.403 3.629 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 935212938 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N#Cc1ccsc1C(=O)Nc1ccccc1C(F)F 1529637269 DPZZVKPIGZEZBS-UHFFFAOYSA-N 278.283 3.810 30 20 CHED Cc1cc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)ncc1C#N 1612313944 OQAYOVIOSAUSSC-LSDHHAIUSA-N 283.762 3.883 30 20 CHED CC[C@H](Cc1ccccc1)N(CC)Cc1cc(C#N)ccn1 1616275663 QKVPZPPNPVNYIX-LJQANCHMSA-N 293.414 3.796 30 20 CHED Cc1cccc2nc(Oc3ccc(C#N)cc3F)oc12 1472728524 XWIIKABGGFQICB-UHFFFAOYSA-N 268.247 3.939 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2C[C@@]2(C)C(C)C)c1C#N 1472801069 INTAZSJWQJZCAP-OCCSQVGLSA-N 263.772 3.762 30 20 CHED CC(=O)c1cccc(COc2ccc(C#N)cc2Cl)c1 1613398688 KSLDTDVUKKDSIA-UHFFFAOYSA-N 285.730 3.993 30 20 CHED COc1cc(C#N)ccc1CN1CCCCC[C@@H]1C(C)C 1642451979 NIJDLDSJYCFEHU-QGZVFWFLSA-N 286.419 3.967 30 20 CHED Cc1ccc(N(C)Cc2cccc(C#N)c2F)c(F)c1 1643425201 COEQTKDCPJBXQH-UHFFFAOYSA-N 272.298 3.781 30 20 CHED Cc1ccc(CCNc2cc(C)c(C#N)cn2)c(C)c1 1651433563 AFINEZZXWYBMBT-UHFFFAOYSA-N 265.360 3.533 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N1CCc2c(C#N)cccc21 1585528892 NTZMZTJDACLAJG-AWEZNQCLSA-N 284.403 3.910 30 20 CHED COc1ccc(C)c2c1N(Cc1ccc(C#N)s1)CCC2 1657698895 JGRCMTNDJUPIPV-UHFFFAOYSA-N 298.411 3.890 30 20 CHED CC[C@H](Nc1ncccc1C#N)c1ccc(C)c(F)c1 1651698852 JNIHXMFSSYRQGO-HNNXBMFYSA-N 269.323 3.964 30 20 CHED CCC1(CC)[C@@H](Nc2cccc(F)c2C#N)C[C@H]1OC 1655308689 PMHGDSQTAGMYOA-LSDHHAIUSA-N 276.355 3.703 30 20 CHED CC(C)(C)CCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1587347458 MUGXONIRSVFIFL-UHFFFAOYSA-N 284.363 3.589 30 20 CHED N#Cc1cc(CN2CCCc3c(F)cccc32)ccc1F 1653507763 RPGPTTZAEZDFRS-UHFFFAOYSA-N 284.309 3.789 30 20 CHED CC(C)[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H](C#N)C1 1660704384 GSNKZUWOSOVWQM-SQNIBIBYSA-N 270.420 3.926 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@H](OC)[C@@H](C)CC 1663915803 CHIAYMSYCIVOQQ-MAUKXSAKSA-N 288.435 3.831 30 20 CHED CCCCCCCN[C@@]1(C)CCCC[C@@H]1C(=O)O 1595704522 SCXBNCNXRXYQQW-HIFRSBDPSA-N 255.402 3.580 30 20 CHED CCc1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)s1 1776965919 GYAZQLAVMOHQMJ-HYXAFXHYSA-N 292.381 3.966 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1csc(C)n1 1776784412 IOQSTGXCJMVEII-ZDUSSCGKSA-N 298.452 3.745 30 20 CHED CCCOc1ccccc1NCc1ccc(C#N)o1 135186488 PQSGFRGTRYXKBN-UHFFFAOYSA-N 256.305 3.552 30 20 CHED COc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1OC 19908625 ZLNDKXXKMAXDAC-LBPRGKRZSA-N 282.343 3.749 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc(Cl)c(OC)c1 160673296 KSBRMHAITGTPHC-UHFFFAOYSA-N 295.810 3.706 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2(CC(C)C)CCC2)n1 151039608 YFLDIXDZGOXFPQ-LBPRGKRZSA-N 276.405 3.844 30 20 CHED N#CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 153516225 PVVRQNILKRPUNX-UHFFFAOYSA-N 286.718 3.984 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 153918063 QPDINAKYXSLLHL-XXILOJSOSA-N 284.186 3.788 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F 157279357 HIXZXLNBOUOEAA-CYBMUJFWSA-N 292.329 3.535 30 20 CHED Cc1ccc(C(=O)COc2ccc(C#N)cc2Cl)s1 7857545 CFPXCXTVKDUTMW-UHFFFAOYSA-N 291.759 3.843 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](N)[C@H](C)C1 832737299 RIBYIDFSVQPYDI-CVEARBPZSA-N 282.472 3.713 30 20 CHED N#Cc1ccc(NC(=O)C(C2CC2)C2CC2)c(Cl)c1 269982015 YDKILKUZQJBQFH-UHFFFAOYSA-N 274.751 3.586 30 20 CHED CCc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 34979754 DMOJEWZWAOCWQK-CQSZACIVSA-N 264.372 3.971 30 20 CHED CC(C)CC[C@@H](C)NCc1cccc(OCC#N)c1 37218504 NUMNNRLNGPOPDA-CQSZACIVSA-N 260.381 3.503 30 20 CHED CC[C@H](CC#N)NCc1c(OC)ccc2ccccc12 54183414 JEXBCJCPKFCGNV-CQSZACIVSA-N 268.360 3.630 30 20 CHED C[C@@H](CCC1CC1)Nc1nc(C(F)(F)F)ccc1C#N 346170891 CHTNGTLHICURNC-VIFPVBQESA-N 283.297 3.963 30 20 CHED C[C@H](CCNc1ccc(C#N)cc1)N(C)Cc1ccccc1 301471277 JPZPPBQXUXRWDA-MRXNPFEDSA-N 293.414 3.881 30 20 CHED CCCCCCCNCc1cncc(Br)c1 310039283 WWVKQERQHUJQFW-UHFFFAOYSA-N 285.229 3.904 30 20 CHED N#Cc1cc(F)cc(OC[C@@H]2CCC3(CCCC3)O2)c1 313427012 YGAPYRHPNJZTNX-AWEZNQCLSA-N 275.323 3.568 30 20 CHED CC(C)c1nc(CN[C@H](C)c2cccc(C#N)c2)cs1 610345116 SCYHGBFPJPAJPI-GFCCVEGCSA-N 285.416 3.989 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)CC#N)CC(C)(C)C 315460503 SWYKSDOUBHRYIG-LBPRGKRZSA-N 252.402 3.505 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCC(C)(F)F 642632445 UVGNGZSGRKZHTJ-UHFFFAOYSA-N 267.319 3.637 30 20 CHED C=CCN(Cc1ccccc1)Cc1ncccc1C 93158027 YJPARCDUEWZHOD-UHFFFAOYSA-N 252.361 3.578 30 20 CHED CCCCCCCCC(=O)NC1CCC(C)(O)CC1 703555320 ZVTUXXKJLOAOJO-UHFFFAOYSA-N 269.429 3.547 30 20 CHED C[C@H](CC(C)(C)O)Nc1ccc(C#N)cc1C(F)(F)F 384765326 BALPDCIYDWMXRS-SECBINFHSA-N 286.297 3.538 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cccc(C)c1 796654041 ICELYKKOJKTUPC-UHFFFAOYSA-N 278.355 3.662 30 20 CHED CSc1ccccc1[C@@H](C)NC(=O)C1(C#N)CCCC1 281749563 IRDCDJYJLUJBEV-GFCCVEGCSA-N 288.416 3.670 30 20 CHED Cc1cc(C)cc(NC(=S)Nc2cccc(C#N)c2)c1 7517802 CIGMCXQHFQCABR-UHFFFAOYSA-N 281.384 3.984 30 20 CHED N#Cc1c(Cl)cccc1NCC[C@@H]1C[C@H]2CC[C@H]1O2 413417125 YLPGSIWRVGPHHO-UEKVPHQBSA-N 276.767 3.581 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(OC2CCCC2)cc1 116855666 YUZMXHUOZQQFEM-CYBMUJFWSA-N 273.376 3.702 30 20 CHED CCc1nc(CSc2nc(C)cc(C)c2C#N)cs1 22360574 OPECGLAWDHGIOV-UHFFFAOYSA-N 289.429 3.881 30 20 CHED N#CCCCCNC(=O)N1CCCC2(CCCCCC2)C1 176387135 TWIZFQYEIKVLGG-UHFFFAOYSA-N 291.439 3.826 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C 66416447 AQDTVRDRPGDMGH-CJNGLKHVSA-N 270.376 3.599 30 20 CHED CCCC[C@@H](NC(=O)c1cccc(CC#N)c1)C1CCC1 177132463 MGIROSRHWPHTMF-QGZVFWFLSA-N 284.403 3.841 30 20 CHED C#CCOC(=O)c1sc(-c2ccc(Cl)s2)nc1C 170710272 XJCDWACUKKLDMS-UHFFFAOYSA-N 297.788 3.623 30 20 CHED N#Cc1c(F)cccc1Oc1cccnc1Br 301176366 ZDISVFAYAVZIKS-UHFFFAOYSA-N 293.095 3.647 30 20 CHED N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1 175360442 JVWIGSFGDQQITF-OAHLLOKOSA-N 299.761 3.517 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1cccc(C(F)(F)F)c1 181608440 GRSCXKLPRZXMMI-SMDDNHRTSA-N 287.325 3.683 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H](C)CC2CCCC2)n1 114617305 FUNHPMGFPPEQRJ-GXFFZTMASA-N 276.405 3.844 30 20 CHED C[C@H](NC1CC(C)(C)NC(C)(C)C1)c1ccc(C#N)cc1 20143234 GVCYYKZEIFXYST-ZDUSSCGKSA-N 285.435 3.518 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(CSC)cc1 117005555 FJMQQCGZFYXBIB-LLVKDONJSA-N 264.394 3.636 30 20 CHED C=CCOc1ccc(OCc2cccnc2Cl)cc1 174234184 IQYZLTKXZLAGLU-UHFFFAOYSA-N 275.735 3.879 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2C[C@H]1C 177176088 IZZBTZOKJOQZNT-CQSZACIVSA-N 269.388 3.728 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1C[C@@H]2OCCC[C@@H]21 302551752 KBCFVEPVNYJKRI-BNOWGMLFSA-N 296.292 3.556 30 20 CHED C=CCC[C@@H](NCCn1c(C)nc2ccccc21)C1CC1 119916090 XULXVIPNBLBZLA-MRXNPFEDSA-N 283.419 3.679 30 20 CHED C#Cc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 23359407 NQIVDZIQBCNBGJ-UHFFFAOYSA-N 295.769 3.992 30 20 CHED Cc1ccc(C[S@@](=O)CCCC(C)(C)C#N)cc1 177969310 UQOKYQJMAXHRPA-SFHVURJKSA-N 263.406 3.574 30 20 CHED CC(C)(NCc1ccccc1C#N)c1ccc(F)c(F)c1 179095271 IKANNLCUETVPOU-UHFFFAOYSA-N 286.325 3.861 30 20 CHED Cc1cscc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 175506872 QGURZTCNFYBYJO-UHFFFAOYSA-N 298.411 3.979 30 20 CHED Cc1cc(F)cc(NC(=O)/C=C/c2ccccc2C#N)c1 178797211 PNWRZAXGJHJHES-VOTSOKGWSA-N 280.302 3.658 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(F)cc1O 62745032 RDIYYTIIWUKFTC-NSHDSACASA-N 286.306 3.607 30 20 CHED Cc1nc(C(=O)Nc2ccccc2C(C)C)ccc1C#N 31873660 YTAOCIRSZNVTTB-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccccc1 122566593 BASQLHLYXCBSRL-CYBMUJFWSA-N 263.406 3.592 30 20 CHED CCc1nc(NCc2ccc(C#N)cc2)c2ccsc2n1 301818614 ILMDWFJPUUDKMU-UHFFFAOYSA-N 294.383 3.737 30 20 CHED Cc1ccccc1-n1c(C)nnc1SCCCCC#N 122581047 PTVQJQAQIQRINP-UHFFFAOYSA-N 286.404 3.670 30 20 CHED N#Cc1ccc(CSCCCOCC(F)(F)F)cc1 123184436 OZOUHNVCSCCXOF-UHFFFAOYSA-N 289.322 3.760 30 20 CHED CS[C@H]1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 181768492 WIIBTFDOLNUQNR-WQVCFCJDSA-N 274.433 3.883 30 20 CHED N#Cc1ccc(C2=CCN(Cc3ccc(F)cc3)CC2)cc1 502492800 AHRRRWIQNAWUCN-UHFFFAOYSA-N 292.357 3.987 30 20 CHED C=CCCCC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 189600457 OYRIJUMSIYDPRP-DLBZAZTESA-N 271.404 3.870 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1c[nH]c2cc(C)ccc12 410122829 DCWZSNKOGBOLCC-HNNXBMFYSA-N 284.403 3.880 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 77611341 CJGYQLSGVIYIRS-WMLDXEAASA-N 299.418 3.668 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)NCC1(C#N)CCC1 418144030 SBOGTJBQUKLXDR-INIZCTEOSA-N 256.393 3.600 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(OCC(F)(F)F)nc2)C1 185751806 GEBHTFIOGWSIKV-WDEREUQCSA-N 299.296 3.517 30 20 CHED C[C@H](CCC#N)Sc1cc2c(cc1Cl)OCCO2 412988361 AHUXFEIIZZMQDQ-SECBINFHSA-N 283.780 3.896 30 20 CHED CCOc1ccc(O)c(/C=N/CC2(OC)CCCCC2)c1 186844468 PWUUKQOWGVZOIG-LDADJPATSA-N 291.391 3.559 30 20 CHED Cc1cc(CN(CCC#N)Cc2cccnc2)ccc1Cl 180415195 NUHGCSUIKPQUPK-UHFFFAOYSA-N 299.805 3.959 30 20 CHED COCCOc1ccc(C#N)cc1NCc1ccc(C)cc1 184320407 DCGJVAGPTRGVNS-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 127350982 PRBRNHYZDXXLMN-CZUORRHYSA-N 287.403 3.506 30 20 CHED C[C@H]1CCC[C@@H](C(=O)N2CCCc3cc(C#N)ccc32)C1 411001864 NUSTXUAGWYHWCV-XJKSGUPXSA-N 282.387 3.664 30 20 CHED C=CCN(CC=C)Cc1ccc(OCc2cccnc2)cc1 505868821 RPBSXPLPQOENDF-UHFFFAOYSA-N 294.398 3.835 30 20 CHED CCC1(C(=O)N(C)Cc2ccc(C#N)cc2)CCCCC1 185641767 CGACYYBSVPPIOL-UHFFFAOYSA-N 284.403 3.877 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2ccccc2C)CCC1 189007496 QEZAUTBAHHWTEG-OAHLLOKOSA-N 271.404 3.789 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)CCc1ccccc1F 410141792 IOPCEWQFIQDHLU-UKRRQHHQSA-N 277.383 3.865 30 20 CHED CC(C)(CNCc1cccc(OCC#N)c1)c1ccccc1 121236123 CFIUWIJFSIDOIK-UHFFFAOYSA-N 294.398 3.656 30 20 CHED Cc1cc(-c2noc([C@H](C)SCCC#N)n2)ccc1F 413008960 AUYMEUFRJHNMLO-JTQLQIEISA-N 291.351 3.892 30 20 CHED N#CCCCc1nc(-c2cc(Cl)cc(Cl)c2)no1 236065876 DHHDLFZRLHPERW-UHFFFAOYSA-N 282.130 3.890 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)s2)[C@@H]1c1ccccc1 180222452 UASXJRFDGXDFIG-LRDDRELGSA-N 268.385 3.813 30 20 CHED C=CC[C@H](C(=O)N1CCS[C@@H](CC)C1)c1ccccc1 189970360 GBVXGXLGCFVVGA-HOTGVXAUSA-N 289.444 3.700 30 20 CHED CC(=O)c1c(F)cccc1NCc1cc(C#N)ccc1F 78474548 WGSREOJJIGAPGD-UHFFFAOYSA-N 286.281 3.651 30 20 CHED N#Cc1cccc(CNCc2ccc(C(F)(F)F)cc2)c1 37489139 LCDWFTKOUAPSQY-UHFFFAOYSA-N 290.288 3.867 30 20 CHED C=CCOCCSCc1ccc(-c2ncco2)cc1F 419515911 JVDJTDXJTZALCW-UHFFFAOYSA-N 293.363 3.917 30 20 CHED CC#CCCCC(=O)NC(C)(C)Cc1ccc(C)cc1 416063254 NSYKYTKYGCJKSC-UHFFFAOYSA-N 271.404 3.626 30 20 CHED CC#CCCCC(=O)N1CCCc2ccc(F)c(C)c21 411098403 UZNHQBVLSJGTSL-UHFFFAOYSA-N 273.351 3.607 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccccc1C(C)(F)F 411034301 LLVMDOAKMPZSDB-OAHLLOKOSA-N 297.345 3.966 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 180951040 FCFKYUHCJQWTNQ-QWRGUYRKSA-N 285.334 3.912 30 20 CHED C[C@H](CCC#N)Sc1nc(C2CC2)n(-c2ccccc2)n1 188227867 QSJVIMJSEVMFHV-GFCCVEGCSA-N 298.415 3.929 30 20 CHED CCCc1nc(COc2ccccc2C#N)cs1 42237929 UQTQLYMARAIUII-UHFFFAOYSA-N 258.346 3.546 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCC1 418145624 YMKCNNCSWOTQJM-LBPRGKRZSA-N 262.784 3.554 30 20 CHED CC1(C)CCCC[C@@H]1/N=C(/O)[C@H]1CCC(=O)c2cccn21 329872491 DDWKURGJEKRSOP-HIFRSBDPSA-N 288.391 3.931 30 20 CHED CCc1nc(CC/N=C(/O)C[C@@H]2CCCC(C)(C)C2)no1 328764597 GIPKQHBENUHBPK-LBPRGKRZSA-N 293.411 3.738 30 20 CHED C=CCOc1cccc(CNCC2(SC)CCC2)c1 193646945 BZAUOWFCBKRUSP-UHFFFAOYSA-N 277.433 3.627 30 20 CHED CCN(CCC#N)C(=O)c1ccc2c(c1)oc1ccccc12 507443224 RSQBFSSPLXMNIS-UHFFFAOYSA-N 292.338 3.962 30 20 CHED C=CCC[C@H](NC(=O)[C@H](C)OCC1CC1)c1ccccc1 133915506 FTDQGCCGYDFUFX-YOEHRIQHSA-N 287.403 3.625 30 20 CHED CC(C)[C@@H]1CCC[C@@H](/N=C(/O)c2csc(O)n2)CC1 329936240 KVOKIWWAAVJLHA-GHMZBOCLSA-N 282.409 3.758 30 20 CHED CN(CCC(C)(C)C#N)[C@@H]1CCCN(c2ccccc2)C1 131757208 DIONCGCWVKBAQP-QGZVFWFLSA-N 285.435 3.527 30 20 CHED C=CCC[C@H](NC(=O)COCCCC)c1ccccc1 134023696 ISTBOCPGDQNJTH-INIZCTEOSA-N 275.392 3.627 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)cc1Cl)C1CC1 288587234 MNVAZHCEMQHJDI-UHFFFAOYSA-N 262.740 3.586 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425114256 SKNQIFWAFLIDKK-YSVLISHTSA-N 284.403 3.904 30 20 CHED C[C@@]1(C#N)CCCN(CCSc2ccc(F)cc2)C1 612162555 KZPGOQYSJRROJZ-HNNXBMFYSA-N 278.396 3.543 30 20 CHED C=CCCc1noc(Cc2cccc(C3CC3)c2)n1 420498966 CCKYKKDAKZWNCC-UHFFFAOYSA-N 254.333 3.656 30 20 CHED Cc1cc(N=C(O)C(C2CC2)C2CC2)cc2n[nH]cc12 329077395 QBURUZMMVXJHSQ-UHFFFAOYSA-N 269.348 3.896 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1nc(C(C)(C)C)cs1 424644339 HAOUFYUORPRAHH-UHFFFAOYSA-N 280.437 3.659 30 20 CHED Cc1ncc(N=C(O)C[C@H]2C=CCCC2)c(C2CC2)n1 329818527 XFDPYJVMPXSQFX-LBPRGKRZSA-N 271.364 3.997 30 20 CHED C#CCSCCN[C@@H](C)c1cc2c(s1)CCCC2 222117345 SGXNRKKEEGDBTM-LBPRGKRZSA-N 279.474 3.644 30 20 CHED C=CCC[C@@H](NCCCC1(O)CCC1)c1ccco1 421861057 TUHZMZCXFFEHHI-CQSZACIVSA-N 263.381 3.572 30 20 CHED C[C@@H]1CC[C@H](C(O)=Nc2ccc3c(c2F)CCN=C3O)C1 328906600 KXIIYSHGPUNOHT-ZJUUUORDSA-N 290.338 3.711 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1snc(Cl)c1C#N 48893769 KFUARYRGDTUGFC-QMMMGPOBSA-N 295.770 3.850 30 20 CHED C#CCCCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 192097787 CWLFONHLAITOCT-GOSISDBHSA-N 299.414 3.942 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@]2(C)CC2(F)F)c1 421459294 DIWFUTISIYWAGL-CQSZACIVSA-N 281.302 3.625 30 20 CHED CSc1ccc(C)c(NC(=O)c2ccc(C#N)s2)c1 335952390 FIFCHWJQIAWUHH-UHFFFAOYSA-N 288.397 3.902 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H]2CCO[C@@H](CC)C2)n1 519009115 VEEPLYNTUYHZDW-OLZOCXBDSA-N 278.396 3.671 30 20 CHED C[C@H]1CCC[C@H](Nc2nc(Cl)c(C#N)s2)C1 235663281 NRVWTEUXENWVOW-YUMQZZPRSA-N 255.774 3.659 30 20 CHED C[C@@H](/N=C(/O)Nc1ccc(C(=N)O)cc1F)C1CCCC1 331072200 SWWPXQHFKOMQRL-SECBINFHSA-N 293.342 3.614 30 20 CHED N=C(O)C1CCC(/N=C(/O)C[C@@H]2C=CCCC2)CC1 330217792 OCKINPSJPCUDRX-PNESKVBLSA-N 264.369 3.783 30 20 CHED CCc1nnc(C)cc1/C(O)=N/[C@H](C)CCC(C)(C)C 330826390 RTNMCUFSBPYVCR-LLVKDONJSA-N 277.412 3.867 30 20 CHED C=CCN(CCC#N)[C@@H](C)c1nc(-c2ccccc2C)no1 428858694 FELSAZXGYYYHDN-AWEZNQCLSA-N 296.374 3.508 30 20 CHED C[C@H](NCc1cnc2ccccc2c1)c1cccc(C#N)c1 337176119 IPRRCBFMSUBBLX-AWEZNQCLSA-N 287.366 3.957 30 20 CHED Cc1cnccc1SCc1cc(F)ccc1C#N 338620615 LZGNTBBWDFXBPB-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=CCc1cc(CN2CCC[C@H](C)[C@H]2C)cc(OC)c1O 512652019 GWRJQXDQLVYRLS-UONOGXRCSA-N 289.419 3.750 30 20 CHED C[C@H]1SCC[C@H]1Nc1ccc(C#N)c(Cl)c1 235656793 RAHJDEQNKURANF-PRHODGIISA-N 252.770 3.518 30 20 CHED COc1ccc(-n2ccnc2S[C@H]2CC[C@H](C#N)C2)cc1 430133973 FTAPPZFMFSLAGQ-WFASDCNBSA-N 299.399 3.665 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)c1ccc(F)cc1 232526155 IJARTHADAOHBAI-GOSISDBHSA-N 267.369 3.653 30 20 CHED CC(C)[C@@H]1CCCC[C@H]1/N=C(/O)CCc1cnccn1 330029740 QNMHMKIVTWAIGK-LSDHHAIUSA-N 275.396 3.581 30 20 CHED CCC1(NC(O)=Nc2ccc(C)c(Cl)c2)CCOCC1 330698516 GQHXUMVCSIIWHJ-UHFFFAOYSA-N 296.798 3.743 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 332310417 XFPVCDNFDKKKPC-JQFCIGGWSA-N 297.402 3.909 30 20 CHED CC[C@H](C#N)N[C@H](COc1ccccc1F)C(C)(C)C 435919788 BLWXOJDOYJRJGT-IUODEOHRSA-N 278.371 3.511 30 20 CHED Cc1c(C(=O)N[C@H](C#N)c2ccccc2F)ccn1C(C)C 339860821 NUMMLUVGTIZBHI-MRXNPFEDSA-N 299.349 3.511 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C)c(C)c1 436311224 RXPQDDWPPBFZIB-NXHRZFHOSA-N 273.420 3.935 30 20 CHED C[C@H](C(=O)Nc1ccccc1CC#N)c1ccccc1F 344377995 BPPRJZQGMUISBJ-LBPRGKRZSA-N 282.318 3.634 30 20 CHED C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCCCC#N 247515049 KBVZJSRFDAMIQW-INMHGKMJSA-N 272.392 3.531 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1-n1cccn1 248890872 SQASEUNZOXQMBY-ARFHVFGLSA-N 294.402 3.605 30 20 CHED COc1ccc(C#N)cc1CN1Cc2ccccc2C[C@@H]1C 438079898 ZHUFWPVZDSDVPD-AWEZNQCLSA-N 292.382 3.514 30 20 CHED C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)c1cccc(C#N)c1 245933602 SVPPRSGNDFHMMT-SUNYJGFJSA-N 292.382 3.774 30 20 CHED C=CCN(C)C(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 430328243 NMASSLOVZPXMRG-XJKSGUPXSA-N 272.392 3.528 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H](C)c1ccco1 528307738 VZPCIHAOFYCEBR-LBPRGKRZSA-N 268.316 3.592 30 20 CHED CC[C@H](NCCCC#N)c1cc(Cl)ccc1OC 346801649 BTAUKSURCDOLQR-ZDUSSCGKSA-N 266.772 3.693 30 20 CHED Cc1c(Cl)cnc(NC[C@@]2(C)CCCS2)c1C#N 343484295 ZJBVRVNEYHNLJW-CYBMUJFWSA-N 281.812 3.613 30 20 CHED N#Cc1ccc(NCCOc2cccc(F)c2)cc1Cl 609499656 WPLMATWQNHWCRG-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=CCCCSc1nnc(C)n1-c1ccccc1C 605076051 GGYVNOKEYTUPQV-UHFFFAOYSA-N 273.405 3.942 30 20 CHED COCc1cccc(N=Cc2cc(Cl)ccc2O)c1 255886350 YAVZAMITPMIYMD-UHFFFAOYSA-N 275.735 3.943 30 20 CHED CCC(CC)[C@@H](CCNCc1cc(C#N)cs1)OC 344858961 SJGQDWHDQFAEPP-OAHLLOKOSA-N 280.437 3.551 30 20 CHED CCC[C@@H](NC(=O)c1cc(C#N)oc1C)c1ccccc1 436082108 ZOQCYJLGGQCQLD-MRXNPFEDSA-N 282.343 3.731 30 20 CHED CCO[C@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C 348408850 QTDWLWDMGCZITE-CQSZACIVSA-N 294.782 3.601 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1C[C@]12CCc1ccccc12 252733955 XPEGQARQWQZHJX-YJLNNSPDSA-N 283.415 3.752 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(F)c(C(C)=O)c1 349711446 WYZQJJFJUYTVAX-UHFFFAOYSA-N 298.317 3.521 30 20 CHED CC(C)(C)OCCON=Cc1ccc(Cl)cc1 255372082 CABZWMWCTHWLOB-UHFFFAOYSA-N 255.745 3.506 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])c2ccccc21 603860488 FVKOJKMKWTWJQW-NSHDSACASA-N 279.299 3.722 30 20 CHED CCCc1nc(CSCc2ccc(CC#N)cc2)no1 342556005 JIRZLCQQIXTZMR-UHFFFAOYSA-N 287.388 3.522 30 20 CHED Cc1ccc(C)c(N=Cc2cc([N+](=O)[O-])ccc2O)c1 252462494 SSADERBYVNYBEK-UHFFFAOYSA-N 270.288 3.668 30 20 CHED C[C@H](CCC#N)CNCc1c(F)cccc1Cl 602524586 MTEMLBVHTBLGSX-SNVBAGLBSA-N 254.736 3.509 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1ccc(-c2ccccc2)[nH]1 522645577 BMIZPXUMYMTQMG-CQSZACIVSA-N 282.387 3.695 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1coc2ccccc12 449244499 SYIYOPALBIVGAK-OCCSQVGLSA-N 256.349 3.646 30 20 CHED CC(C)=CCNc1c(C#N)cnc2c(F)cc(F)cc12 357859051 NKORWZSMPIGHCG-UHFFFAOYSA-N 273.286 3.763 30 20 CHED C=CCCCC[C@H](C)Nc1cccc(N(C)C(N)=O)c1 449287697 KZKKESIWKZEULM-ZDUSSCGKSA-N 275.396 3.748 30 20 CHED N#Cc1csc(C(=O)N[C@H](c2cccs2)C2CC2)c1 531446948 SDBXHQUXQGCMIL-ZDUSSCGKSA-N 288.397 3.562 30 20 CHED C=CCOCCCSCc1ccc(-n2ccnc2)cc1 359119516 BGRWMKBSFCMPDP-UHFFFAOYSA-N 288.416 3.698 30 20 CHED C=C(CC)CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 539104597 MYLANCORYKEQKI-HNNXBMFYSA-N 283.774 3.819 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C1 442790774 HPZMDVGEJLPYGF-SWLSCSKDSA-N 274.795 3.653 30 20 CHED C[C@H]1CCC[C@H](NC(=O)NCC(C)(C)CCC#N)CC1 355252838 HYXPWHWCZHSPNJ-KBPBESRZSA-N 279.428 3.584 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 609974625 UQPUKWBDJYNAIS-PBHICJAKSA-N 284.403 3.528 30 20 CHED CC(C)[C@H](NCCCCC(C)(C)C#N)C(=O)OC(C)(C)C 444686424 SFAALQCIGJVRLE-AWEZNQCLSA-N 296.455 3.662 30 20 CHED C=C(C)CCc1noc(-c2ccc(-n3ccc(C)n3)cc2)n1 351619310 GZSWJUNDQQJEJD-UHFFFAOYSA-N 294.358 3.739 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CSc3ccccc32)CC1 356168675 LNOMMLIODVCMAA-CYBMUJFWSA-N 273.401 3.696 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(C#N)cc1 269669074 LEZFFXAWPNEUON-ZWKOTPCHSA-N 290.366 3.633 30 20 CHED C[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)[C@H](C)c1ccccc1 612134756 AWSZPGKOQJPCRQ-RLFYNMQTSA-N 299.418 3.514 30 20 CHED C=C(C)CCNC1CCN([C@@H]2CCCC[C@H]2C)CC1 449471325 CBVATTFHMOUHLR-NVXWUHKLSA-N 264.457 3.585 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc(C#N)c(Cl)c2)n1 619747299 SGRLKPSAAHREGV-UHFFFAOYSA-N 296.761 3.707 30 20 CHED COCc1ccc([C@@H]2CCCN2C[C@@H](C)CCC#N)o1 619568590 BRWVZEVCMIDVLG-ZFWWWQNUSA-N 276.380 3.503 30 20 CHED N#Cc1cccc(Cl)c1NCC1(C(F)F)CC1 359815891 KGTIWVMSWDSLJB-UHFFFAOYSA-N 256.683 3.669 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](c1ccc(C)o1)N1CCCC1 532490553 VMQWJRVNGOJTCA-USXIJHARSA-N 290.451 3.915 30 20 CHED C=CCCCN(CC(=C)C)Cc1cnn(C(C)C)c1 352915934 QKDUWKSTHNYQQN-UHFFFAOYSA-N 261.413 3.808 30 20 CHED Cc1cc(CN[C@H]2CCCOc3ccccc32)ccc1C#N 443981253 FHIGCNVZJBOROO-SFHVURJKSA-N 292.382 3.870 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1ccccc1F 449548804 QVLUXEXABVPXPH-OAGGEKHMSA-N 263.356 3.600 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@@H]1c1ccc(Cl)cc1 357679178 HEKZOZXKVVQQLM-OCCSQVGLSA-N 269.735 3.575 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)c2cccc(OC)c2)C1 617786043 SPQFUODETNWMQB-CABCVRRESA-N 287.403 3.613 30 20 CHED C=CCCS[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 537421324 DYYUSMVLIFGYGR-ZDUSSCGKSA-N 299.798 3.894 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCC2(CCCC2)CC1 358701626 ZSENGWPNIPCGFK-UHFFFAOYSA-N 291.439 3.682 30 20 CHED CCn1ccc(CN(C)CCCCC(C)(C)C#N)c1 618308932 JSYISNBTKQFTDD-UHFFFAOYSA-N 261.413 3.660 30 20 CHED CCc1cccc2c1OCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 618571739 UEEBWQHZXDHSDO-LXZKKBNFSA-N 284.403 3.745 30 20 CHED Cc1sc(NC(=O)CC#N)nc1-c1cccc(Cl)c1 613896803 GBQMATQMVPKIEG-UHFFFAOYSA-N 291.763 3.624 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(F)cc1OC(C)C 455092648 CWWIEFZYJPWOMM-UHFFFAOYSA-N 280.343 3.701 30 20 CHED C=C(CC)CSCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 536882241 VACBXDOBSSTMJY-GJZGRUSLSA-N 281.465 3.867 30 20 CHED C=CCN(CCOc1ccccc1)Cc1ccc(OC)cc1 614351509 BODQWDLKYWVBKF-UHFFFAOYSA-N 297.398 3.762 30 20 CHED C=CCC1(NC(=O)c2ccc3ncsc3c2)CCCC1 619105950 KIQRFTRZXYICND-UHFFFAOYSA-N 286.400 3.915 30 20 CHED C[C@@H](c1c(F)cccc1F)N1CCC[C@@](C)(C#N)C1 612163138 ONDICJLKVXOLBS-NHYWBVRUSA-N 264.319 3.651 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CCc1ccc(F)cc1 264238719 JBXKWEJEDCGEMZ-UHFFFAOYSA-N 290.382 3.547 30 20 CHED Cc1ccc(-c2cc(CN3CCC[C@@](C)(C#N)C3)on2)cc1 612165331 LVFQIJGORKRBGF-SFHVURJKSA-N 295.386 3.776 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2Cl)C(C)(C)CO1 615224973 YEIPVNUTKIWLBO-UHFFFAOYSA-N 292.810 3.601 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ncc(-c2ccccc2)o1 452775459 HXUASMZFHQZREM-UHFFFAOYSA-N 298.386 3.603 30 20 CHED CC(C)c1ccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)s1 452557718 RFEDUCGJQWKNJO-RYUDHWBXSA-N 276.405 3.684 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1cccc(C#N)c1 610348895 YIOTYPHOVCTORF-LXZKKBNFSA-N 299.418 3.887 30 20 CHED N#CCCN(CCc1ccc(Cl)cc1)Cc1ccccn1 450474944 UFHJHFFBIDWOAH-UHFFFAOYSA-N 299.805 3.693 30 20 CHED CC[C@@H](CSC)N[C@H]1CCCc2cc(C#N)ccc21 611395783 NKBVZOPFSDUDIS-HOCLYGCPSA-N 274.433 3.667 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cccc(OCC)c1)C1CC1 271338818 CAXITOMEGSAPDU-ZDUSSCGKSA-N 288.391 3.506 30 20 CHED N#CCCC[C@@H](NC(=O)N1CCC12CCC2)c1ccccc1 458800420 LDSFWKZGJVYQOE-MRXNPFEDSA-N 297.402 3.760 30 20 CHED Cc1nc(S[C@H]2CC[C@@H](C#N)C2)n(CC(C)C)c1C 278610199 RQMLWJUCCVQHLE-KGLIPLIRSA-N 277.437 3.940 30 20 CHED C[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccsc1 619759009 GCRINXRTELDNJS-VXGBXAGGSA-N 299.399 3.741 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1Cc2ccccc21 611391915 DXQDOXOMHUULMU-YLJYHZDGSA-N 288.394 3.865 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 279614173 BZYKMPDOMGDOJM-UHFFFAOYSA-N 295.386 3.506 30 20 CHED C[C@H](C#N)C(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 456858769 DUXVANNTJCUGHM-UXIGCNINSA-N 290.794 3.642 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 456063713 JMEFMALNMHCXBM-GWCFXTLKSA-N 298.308 3.774 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H](C)C1CCC1 457493595 PXVLXWYJORASIZ-CYBMUJFWSA-N 275.367 3.777 30 20 CHED CC(C)(CC#N)CNC(=O)C(C)(C)c1ccccc1Cl 457988898 DKHFODJQVYNKCV-UHFFFAOYSA-N 292.810 3.674 30 20 CHED C=CCCc1noc(Cc2cccc(OC(F)(F)F)c2)n1 453238534 QOHHJTLMOKVAGW-UHFFFAOYSA-N 298.264 3.678 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 452144774 HBNCBEHSKWFAGN-CVEARBPZSA-N 284.403 3.578 30 20 CHED CCc1ncnc(Oc2ccc(C#N)c3ccccc23)c1F 549293490 MKSUSRQOMMSEMZ-UHFFFAOYSA-N 293.301 3.995 30 20 CHED C=CCCCN(C)C(=O)c1sc(C(F)(F)F)nc1C 360267375 MBIZVHWQRMQBRY-UHFFFAOYSA-N 292.326 3.509 30 20 CHED CSc1cccc(NC(=O)NCC(C)(C)CC#N)c1C 459482009 NUMYXPJTMQRJJT-UHFFFAOYSA-N 291.420 3.778 30 20 CHED CC(C)(C#N)NC(=O)CC1(CCc2ccccc2)CCCC1 540971818 FEIPIBXBSQQWQW-UHFFFAOYSA-N 298.430 3.988 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 458997923 JQECGADROUTADI-SJORKVTESA-N 286.419 3.930 30 20 CHED C=CCC1(CN[C@@H]2CCCc3nn(C)cc32)CCCC1 453388857 WYTIVYKYSVMGJS-OAHLLOKOSA-N 273.424 3.524 30 20 CHED C=C(CC)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 453019070 OZRAYTRXEXKDBQ-UHFFFAOYSA-N 281.783 3.580 30 20 CHED N#Cc1cccc(SCCC(F)(F)F)c1[N+](=O)[O-] 450493163 ABGGGSLLJUNCKT-UHFFFAOYSA-N 276.239 3.511 30 20 CHED C=C(CC)CNC(=O)c1sc(-c2ccc(C)o2)nc1C 456824252 DRDJNQPULRYLJC-UHFFFAOYSA-N 290.388 3.716 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(SC)c1 454170952 YTJMFJMIERTTSM-UHFFFAOYSA-N 264.394 3.742 30 20 CHED Cc1ccc(OC2CCN(CC3(C#N)CCC3)CC2)cc1C 450267085 WBFVWPJPICLATE-UHFFFAOYSA-N 298.430 3.841 30 20 CHED C=C[C@@H](Cc1nc(-c2cncc(C)c2)no1)c1ccccc1 545030802 OSJNCHJZIGIAIL-AWEZNQCLSA-N 291.354 3.952 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN2CCC(CC#N)CC2)o1 542851735 ZCZJRHVPCTVBJR-DOMZBBRYSA-N 258.365 3.529 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1ccc(C)cc1C 278162283 ANBNOAFNFQVTBO-UHFFFAOYSA-N 258.365 3.596 30 20 CHED C=CCCOCC(=O)N(C(C)C)[C@@H](CC)c1ccccc1 622975647 QJDJFQFMSRJMMA-KRWDZBQOSA-N 289.419 3.967 30 20 CHED C=C(C)CN1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 289269732 DXHJOKXCDHRCKQ-OAHLLOKOSA-N 255.365 3.584 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@H]1C 466379171 VXTNEBXBLYOAAW-HZSPNIEDSA-N 252.402 3.561 30 20 CHED C=CC[C@H](C)NCc1cc(Cl)cc(Cl)c1N 638611041 SGZBVZYOCRRMLD-QMMMGPOBSA-N 259.180 3.630 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1cc(F)ccc1C#N 469172059 IJTQYHYLVCDYJB-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 285583909 VIWMIUWHEQAAQC-SJKOYZFVSA-N 288.391 3.914 30 20 CHED C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(OCC#N)cc1 287493394 YASHPUNGMVRQRP-QMTHXVAHSA-N 298.308 3.580 30 20 CHED C=C(C)[C@@H](CC(=O)N(CCCC)c1ccccn1)OCC 637720441 FNPLWQOHXNGHNJ-OAHLLOKOSA-N 290.407 3.586 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(Cl)ccc1O 280779120 IAXLEOXUSCQXNX-HSMVNMDESA-N 295.810 3.677 30 20 CHED CN(C(=O)CC(C)(C)C1CCCCC1)C1(C#N)CCC1 475123464 XNNIMGRXFXZRDL-UHFFFAOYSA-N 276.424 3.888 30 20 CHED N#Cc1ccc(N[C@@H]2CC23CCOCC3)cc1C(F)(F)F 386913289 CWBFFSZDUBTOGS-CYBMUJFWSA-N 296.292 3.558 30 20 CHED C=C(CNC(=O)C(F)=C1CCCC1)c1ccccc1 807797950 NIJFGLDUZRYZIN-UHFFFAOYSA-N 259.324 3.614 30 20 CHED C#C[C@H](CCC)NC(=O)c1coc2ccc(CC)cc12 803191164 SJZSELFDTSEYEC-CYBMUJFWSA-N 269.344 3.527 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1 474407189 DNVKBHVEIVGWDO-DZGCQCFKSA-N 256.349 3.713 30 20 CHED Cc1cc(OC(=O)CC2(C)CC2)c(C)c(C)c1C#N 809035117 MKCGJUWTVGVCQA-UHFFFAOYSA-N 257.333 3.579 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SCCC1CC1 479189078 DJTYSUPVLINOJD-UHFFFAOYSA-N 299.443 3.947 30 20 CHED CCCCOc1ccc(NCc2cccc(C#N)c2)cn1 478621002 KTLSFZDPZCZHBS-UHFFFAOYSA-N 281.359 3.744 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H]1CCC(C)C 472856897 SPDWXQGTCWCYQJ-OAHLLOKOSA-N 266.429 3.953 30 20 CHED C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 564648991 RDXJEICCZWUUFR-LLVKDONJSA-N 290.794 3.910 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 569027120 JPKJXMCAJYXINF-HUUCEWRRSA-N 263.425 3.853 30 20 CHED C[C@](C#N)(NC(=O)c1ccoc1Cl)C1CCCCC1 562420738 WSZJDARCBWYKLR-CQSZACIVSA-N 280.755 3.525 30 20 CHED c1ccc2nc(NN=C3CCC[C@H]4C[C@@H]34)ccc2c1 800804708 AHKWDJOPXLTBIP-QWHCGFSZSA-N 251.333 3.823 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCC=CO1 809705543 VEDPGQRPAWIMCJ-KRWDZBQOSA-N 289.423 3.535 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)c1nc(C(C)C)no1 298300471 GJSPLQPNCDDULM-CQSZACIVSA-N 285.391 3.942 30 20 CHED C=CCn1cccc1C(=O)Nc1cc2[nH]ccc2cc1C 489556682 AWPVXOSSRKKZJS-UHFFFAOYSA-N 279.343 3.716 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(OCc3cscn3)c2)C1 562525271 YYBDBCHRRJMSLF-GXTWGEPZSA-N 299.399 3.826 30 20 CHED Cc1cc(Cl)cc(C#N)c1OC(=O)OC1CCC1 817153662 HZBNBCBPLKKVNB-UHFFFAOYSA-N 265.696 3.588 30 20 CHED C=C(Br)COC(=O)c1ccc(C(C)C)nc1C 815350151 HQUKIEYDBSDCFY-UHFFFAOYSA-N 298.180 3.579 30 20 CHED C#C[C@H](C)NC1CCC(O)(c2ccc(C(C)C)cc2)CC1 816607446 SPASXTPLGROYIS-MNNVXMFVSA-N 285.431 3.552 30 20 CHED C[C@H](NN=C1Cc2ccc(Cl)cc2C1)c1ccncc1 819817069 UZTAUQGMXLGNNO-NSHDSACASA-N 285.778 3.540 30 20 CHED Cc1[nH]c(=N[C@H](C)c2ccc(F)cc2Cl)ccc1C#N 488047816 IUGCGMUEDFSICD-SNVBAGLBSA-N 289.741 3.649 30 20 CHED C=C(C)CCc1noc(C2(c3ccc(N(C)C)cc3)CC2)n1 815696059 WHRZXMREBJGDRO-UHFFFAOYSA-N 297.402 3.724 30 20 CHED CC1(C)OCCC1=NNc1ccc(Cl)c(Cl)c1 814796498 FZAWOTDLNOYMCN-UHFFFAOYSA-N 273.163 3.960 30 20 CHED CC(C)(C)c1ccc(NN=Cc2nccs2)cc1 814900724 FMCPFHQBWLSKCR-UHFFFAOYSA-N 259.378 3.887 30 20 CHED Cc1ccc(CCC(=O)N2CCC(CCC#N)CC2)s1 574760116 NBRMPCHLHQIBSE-UHFFFAOYSA-N 290.432 3.532 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C1(F)CCCCC1 813238924 KVMLKJVCLWJQPJ-UHFFFAOYSA-N 275.323 3.698 30 20 CHED N#CCC[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCC1)c1ccccc1 573915311 DPIDWONTJIYAHQ-YESZJQIVSA-N 297.402 3.519 30 20 CHED FC(F)(F)Oc1ccccc1C=NOC/C=C\Cl 811670680 YQFWMSCWNCPLMD-AIEBDEASSA-N 279.645 3.688 30 20 CHED CCC[C@@H](NC(=O)N1CCC(CC#N)CC1)C(C)(C)C 579199689 BQYINNRVHWOYCZ-CQSZACIVSA-N 279.428 3.536 30 20 CHED OC[C@H](NN=C1CC[C@H](c2ccccc2)C1)c1ccccc1 814919047 FZODHRBTJXMWFX-HKUYNNGSSA-N 294.398 3.633 30 20 CHED C=C[C@H]1CCCCN1CCC(=O)c1ccc(C)cc1 489460116 GPEYUNHVLOLVPR-INIZCTEOSA-N 257.377 3.608 30 20 CHED C[C@@H](COc1ccccc1)NN=C/C=C\c1ccccc1 811668750 SRMXNHVRVNERFM-OWGVKODMSA-N 280.371 3.743 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(C#N)s2)C1 574288256 MKTUJTMAFWOXIE-BLLLJJGKSA-N 283.400 3.598 30 20 CHED C=CCN(Cc1nc(CCC)no1)CC1CCCCC1 485006988 DKJGQMWZODIITG-UHFFFAOYSA-N 277.412 3.590 30 20 CHED Clc1nccnc1NN=C1CC[C@@H](c2ccccc2)C1 814850590 VAJILPIULMREBI-GFCCVEGCSA-N 286.766 3.866 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)[C@H]1CCOC1 812454744 PRZJLGHBJBUTNP-CYBMUJFWSA-N 276.339 3.527 30 20 CHED C=CCC[C@H](C)NCCc1cn(C)c2ccccc12 658213879 VYAAQEIAIIUNKM-AWEZNQCLSA-N 256.393 3.665 30 20 CHED C=CC[C@H](C)NC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 484025736 DPLHZKYDAOLYRL-SDDRHHMPSA-N 292.345 3.619 30 20 CHED C#Cc1ccc(C(=O)O[C@H](C)c2cccc(Cl)c2)cn1 728938414 ZKFIFOBXWXBBMJ-LLVKDONJSA-N 285.730 3.634 30 20 CHED C=CCCNc1ccc(-n2ccc(C(F)(F)F)n2)cc1 572330796 LPBWKNAZGZTUNQ-UHFFFAOYSA-N 281.281 3.879 30 20 CHED CC(Cc1ccsc1)=NNc1cccc([N+](=O)[O-])c1C 729639100 VCGPGEFXAQKSHB-UHFFFAOYSA-N 289.360 3.995 30 20 CHED C=CCC(F)(F)c1nc(C(C)(C)c2ccc(C)cn2)no1 665084017 DKQRFQWNQCGYDI-UHFFFAOYSA-N 293.317 3.767 30 20 CHED FC(F)Oc1ccc(NN=Cc2ccsc2)cc1 726430299 XPYZXWLGPLCRMN-UHFFFAOYSA-N 268.288 3.796 30 20 CHED CC(C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)=C1CCC1 826690144 SVRMJPFSPORNGT-QZTJIDSGSA-N 294.398 3.785 30 20 CHED C=C(CC)CNCc1c(Cl)nc2cc(Cl)ccn12 825221531 QLWPLODQGMQJDL-UHFFFAOYSA-N 284.190 3.697 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(O)Cc1ccc(F)cc1 901374277 HWDGBGQPIQSBNV-JSGCOSHPSA-N 279.355 3.760 30 20 CHED COc1ccc(CCC(C)=NOCc2ccns2)cc1 902701710 LXQUPNQGOXGKDL-UHFFFAOYSA-N 290.388 3.677 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N(CC)CC#N 492165948 DOHVZCYNDGYEFF-HNNXBMFYSA-N 264.413 3.745 30 20 CHED C=CCN(Cc1cc2cc(Cl)cnc2o1)C(C)C 823408417 GASFGZWGQFWRCG-UHFFFAOYSA-N 264.756 3.878 30 20 CHED C=C(C)CCNC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 824751353 UMJFEGZFKGZHPY-CABCVRRESA-N 296.455 3.578 30 20 CHED C[C@H](NC(=O)OC(C)(C)C)c1ccc(OCCC#N)cc1 497218866 LSDIMMVXRMYEKB-LBPRGKRZSA-N 290.363 3.565 30 20 CHED C[C@@H](C(=O)N(O)Cc1cccc2ccccc12)C1CCC1 900094173 IHRLQNYNSOTTMK-CYBMUJFWSA-N 283.371 3.994 30 20 CHED C#CCN(CC)C(=O)N(c1ccccc1)c1ccccc1 490933571 DTKKUABVJTYZGQ-UHFFFAOYSA-N 278.355 3.900 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(C)CC(C)(C)C#N)cc1 497161224 LWGWDZPTLXNYJT-AWEZNQCLSA-N 286.419 3.751 30 20 CHED COc1ccc(/C=C\C(=O)c2cncc(F)c2)c(Cl)c1 737446035 MFLNXNMOLNZBDD-HYXAFXHYSA-N 291.709 3.779 30 20 CHED COCCCC(C)=NNc1c(C)cccc1Cl 835010886 KAEAWFLEQHBTKS-UHFFFAOYSA-N 254.761 3.863 30 20 CHED CC[C@H](O)c1cccc(-c2cc(C#N)ccc2OCOC)c1 904883132 XJOIBAAMUFQHMS-KRWDZBQOSA-N 297.354 3.651 30 20 CHED NC(=NOCc1ccc2ccccc2c1)c1cccs1 739899750 SHEJZCJTDKMCOM-UHFFFAOYSA-N 282.368 3.738 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)cc1 837432083 XOLCVYIGWXQSLM-BEFAXECRSA-N 281.399 3.708 30 20 CHED Cc1cc(C#N)ccc1-c1cncc(OC(C)C)c1 906196858 YQWZNKPFTOTGBK-UHFFFAOYSA-N 252.317 3.716 30 20 CHED O=C1/C(=C\c2ccc(C3CCC3)cc2)CCn2ccnc21 901538270 YNAFKFWAWYABKP-VBKFSLOCSA-N 278.355 3.821 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](CC)CCC)C1 660499994 PKBXNNOCJCCQFT-KBPBESRZSA-N 252.402 3.563 30 20 CHED CCCSCC(C)=NNc1cnnc2ccccc12 901195955 IRVMDEOAMVFGNA-UHFFFAOYSA-N 274.393 3.561 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCCCO1 588783228 UDGICIAKNLUGSF-LBPRGKRZSA-N 285.840 3.959 30 20 CHED CCON=Cc1cccc(OCc2ccccc2C#N)c1 731314154 CGCZYOKQTAXWLX-UHFFFAOYSA-N 280.327 3.508 30 20 CHED Cc1ccc(C)c(/C=C2\Oc3cc(O)ccc3C2=O)c1 733805169 FJTIPJZOHTXUCT-PXNMLYILSA-N 266.296 3.625 30 20 CHED C=CCCN(C)Cc1ccccc1N1CCCCC1 739901337 AIASMCDZMVHRIJ-UHFFFAOYSA-N 258.409 3.685 30 20 CHED C#CCOc1ccc(NC(=O)[C@H](C)CC2CCCC2)cc1 733932218 AFHYSCBMWPKGDA-CQSZACIVSA-N 285.387 3.854 30 20 CHED CCCCCCCCCN(C)C(=O)C(=O)C(C)(C)C 733922915 CNOHHAXXDZYLMM-UHFFFAOYSA-N 269.429 3.811 30 20 CHED CCc1ccc(CCOC(=O)c2cccc(C#N)c2)cc1 734292517 KJUAORBCANJJOR-UHFFFAOYSA-N 279.339 3.520 30 20 CHED CC(=NNc1c(F)cccc1F)c1sc(C)nc1C 735615710 WPMBCTJESAGPKB-UHFFFAOYSA-N 281.331 3.874 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cncn1C)CCO2 901486268 ZFLOMMUXMDCPRA-RIYZIHGNSA-N 296.370 3.592 30 20 CHED CCCCCCCCC/C=C\C(=O)Nc1n[nH]c(C)n1 737836267 DBMYGSJZZCPYQN-QXMHVHEDSA-N 278.400 3.749 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 835173158 ODOWUOCRUUDBRM-HZSPNIEDSA-N 295.386 3.874 30 20 CHED CC(=NNc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1O2 834916578 DRXRTXZTEFLQAX-UHIISALHSA-N 264.756 3.695 30 20 CHED CC(C)n1cc(C=NNc2cccc(Cl)c2F)cn1 732712550 LEASQOAMGOJGHN-UHFFFAOYSA-N 280.734 3.703 30 20 CHED CC(CCCc1cccnc1)=NNc1ncccc1Cl 834941106 HAWAEUGWRYOYKM-UHFFFAOYSA-N 288.782 3.941 30 20 CHED CCN(C)c1ccc(/C=C\C(=O)c2cccc(C)c2)cn1 588579279 LXQATXQJNREGIY-NTMALXAHSA-N 280.371 3.742 30 20 CHED COc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1F 730948316 CNKUPBJEIUXTLU-ZSOIEALJSA-N 282.314 3.965 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1cncc(F)c1 737446089 OAXFVRKMMCXNFQ-XQRVVYSFSA-N 278.286 3.665 30 20 CHED Cc1cc(Cl)c(NC(=O)C#CC(C)(C)C)cc1C 837679858 UTIMAOJOTKDXKN-UHFFFAOYSA-N 263.768 3.945 30 20 CHED CC(C)Oc1ccc([C@@H](C)NC(=O)C#CC(C)(C)C)cc1 837335810 ZTRIFJJUOJFMKK-CQSZACIVSA-N 287.403 3.701 30 20 CHED C#CCC[C@H](C)OC(=O)c1cnn(C2CCCCC2)c1C 839037879 ACASMBPRXKGCCP-ZDUSSCGKSA-N 288.391 3.655 30 20 CHED COc1cc(CNCC(C)(C)CCC#N)ccc1Cl 590662277 KXZVCUDBMATKSO-UHFFFAOYSA-N 280.799 3.768 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc2nc(C(F)F)sc2c1 593704724 QTGLJEWDWIHERY-ZETCQYMHSA-N 295.314 3.722 30 20 CHED Cc1c(Cl)cnc(N2[C@H]3CC[C@H]2CC(C)C3)c1C#N 596542129 MPTDDCIEDZGYSH-RYUDHWBXSA-N 275.783 3.682 30 20 CHED CCCCCC[C@@H](C)C(=O)N[C@H](C#N)CC(C)C 742061739 ISKXWANCZKQVEH-KGLIPLIRSA-N 252.402 3.647 30 20 CHED C[C@H](C#N)N(C(=O)c1cccc(OC2CCCC2)c1)C1CC1 598128006 FXGZAIAAXMBPPY-CYBMUJFWSA-N 298.386 3.525 30 20 CHED CCN(CCc1cccs1)c1nc(C#N)c(Cl)s1 596149690 ZGTAHTOJOQHRPS-UHFFFAOYSA-N 297.836 3.799 30 20 CHED CC(C)c1ccc2ncnc(N3CCC[C@@](C)(C#N)C3)c2c1 596191891 BRZSOAVUXGKQAI-SFHVURJKSA-N 294.402 3.883 30 20 CHED N#CCC1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 597498640 XUZFEEVMZCRVMH-QAQDUYKDSA-N 288.435 3.745 30 20 CHED N#Cc1ccc(CCNC(=O)CC2CCCCCC2)cc1 597893062 NHTKUCAMQLMUFI-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CC[C@H](SC)C(=O)N(c1ccc(C#N)cc1)C1CCC1 598886018 BOERUMSZTVUBDH-HNNXBMFYSA-N 288.416 3.585 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCCC(C)(C)C 594300320 TUVFGFFTZDMNFZ-CQSZACIVSA-N 286.419 3.679 30 20 CHED CC(C)(CCC#N)CNCCC[C@H]1CC1(Cl)Cl 846105546 TXDXGGQVZJBZFU-NSHDSACASA-N 277.239 3.880 30 20 CHED C=C(C)COC(=O)CSc1ccc(C)cc1C 916602075 UNKFKHBNACYBLV-UHFFFAOYSA-N 250.363 3.515 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1coc2ccc(Cl)cc12 593113392 ZRNOWPLAVLDNRT-LLVKDONJSA-N 290.750 3.754 30 20 CHED FC(F)Oc1ccc(NN=C2CCC[C@@H]3C[C@H]23)cc1 841624279 NEYGPMFYTHQNLC-SKDRFNHKSA-N 266.291 3.876 30 20 CHED Cc1ccc(C(=O)N(C2CC2)[C@H](C)C#N)c2ccccc12 598136339 FPFYRDGGXWEPNA-CYBMUJFWSA-N 278.355 3.665 30 20 CHED C=CCCSCCNC(=O)c1c(F)cccc1Cl 597970652 LDBRUGCOOPYHJG-UHFFFAOYSA-N 287.787 3.518 30 20 CHED C#CCCCCC(=O)Nc1c(OC)cccc1SC 841373543 IUUBCHDJACPMEG-UHFFFAOYSA-N 277.389 3.549 30 20 CHED N#Cc1ccc(CC(=O)N2CC[C@H](C3CCCCC3)C2)cc1 598151321 WIHANFHDGZTTTM-SFHVURJKSA-N 296.414 3.530 30 20 CHED CC[C@H]1CCCN1Cc1ccc(-c2ccc(C#N)nc2)cc1 592986364 GUEXBANNEMBKQG-IBGZPJMESA-N 291.398 3.995 30 20 CHED CC(=NNCC(F)F)c1ccc(SC(C)C)cc1 740617340 GSLGZCAJZZFTMR-UHFFFAOYSA-N 272.364 3.766 30 20 CHED Cc1ccc2cccc(NC(=O)C#Cc3ccccc3)c2n1 747217979 MNUZUCIFTSZGKR-UHFFFAOYSA-N 286.334 3.533 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@H](C)C2)o1 745624969 QQBLDONZQFQYBS-JTQLQIEISA-N 260.341 3.648 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](Nc1c(C#N)cnn1C)CC2 596210944 YSCLLPALWBULNS-INIZCTEOSA-N 280.375 3.515 30 20 CHED Clc1cccc(NN=C[C@@H]2CCCOC2)c1Cl 841645497 OULSXBMZHWGANB-VIFPVBQESA-N 273.163 3.818 30 20 CHED COc1ccccc1[C@@H]1C[C@H]1Nc1nc(C)cc(C)c1C#N 596497448 SOGSYHIOXUUQAG-GOEBONIOSA-N 293.370 3.547 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ccc(C#N)cc1 915961766 JRJAMVSQMZBZKZ-UHFFFAOYSA-N 279.343 3.711 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 593388788 LTLPETZGHNZOLR-RKDXNWHRSA-N 285.174 3.720 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCOCC1CCCC1 840710051 OAYFAWNGVKFRSP-YVLHZVERSA-N 281.783 3.671 30 20 CHED CC1(NC(=O)CC2(C#N)CCCCC2)CCC(F)(F)CC1 597495855 UIQUUPDMURINIZ-UHFFFAOYSA-N 298.377 3.935 30 20 CHED C=CCN(C)C(=O)c1ccccc1NCc1ccccc1 681748910 KEPAXZCLPXPSHC-UHFFFAOYSA-N 280.371 3.557 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)CCCCCC 741639065 OJHWWFJFBRAJRU-UHFFFAOYSA-N 277.339 3.747 30 20 CHED C=CCCOCC(=O)OCc1ccc(C(C)(C)C)cc1 920731896 ZBFVIJIRAFPKRH-UHFFFAOYSA-N 276.376 3.620 30 20 CHED Cc1nc2sccn2c1C=NOC/C=C/c1ccccc1 742360183 XFDAGWCAUVJQGT-PANDHLBASA-N 297.383 3.768 30 20 CHED N#Cc1ccc(O)c(NC(=O)CCCC2CCCC2)c1 748411941 DWENANQCAQKXKS-UHFFFAOYSA-N 272.348 3.563 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1CC[C@H](C)CC1 845423487 RZAWJBBQBGVBMD-JOCQHMNTSA-N 251.370 3.686 30 20 CHED C=CCCN1CCC(Cc2cccc(OC)c2)CC1 680078812 JYOPDSPUOXMRGF-UHFFFAOYSA-N 259.393 3.526 30 20 CHED C=C[C@H](C)NC(=O)c1sccc1-c1ccc(F)cc1 757009886 NPAWHBODKNZNMA-JTQLQIEISA-N 275.348 3.859 30 20 CHED C=C[C@@H](OC(=O)Cc1c(CC)noc1CC)c1ccccc1 851451418 HMTVQHQOEHMZHI-MRXNPFEDSA-N 299.370 3.812 30 20 CHED CO[C@@H](C=NNc1ccc2ccccc2n1)C1CCCC1 853260029 APCRELCYSKJQBN-INIZCTEOSA-N 283.375 3.838 30 20 CHED Cc1cc(Br)ccc1NN=C[C@@H]1C[C@H]1C 758369766 JTGAULWIAKSFPN-SCZZXKLOSA-N 267.170 3.811 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1ccccc1O 757473997 ICPDJBNDMLUDSL-CMDGGOBGSA-N 290.265 3.890 30 20 CHED C=CC(C)(C)CCOC(=O)[C@@H]1CC(=O)c2ccccc21 851300493 URXQJBLBUFEDQI-CQSZACIVSA-N 272.344 3.502 30 20 CHED CC(CC1CCOCC1)=NNc1ccc(F)cc1F 757561402 OUGMLRUGYBPIMF-UHFFFAOYSA-N 268.307 3.569 30 20 CHED CCCN(CC(C)C)C(=O)c1ccccc1SCC#N 751595069 AKEOPJVXKPQUQQ-UHFFFAOYSA-N 290.432 3.810 30 20 CHED CC(=NNc1cccc(C)c1)c1cc(F)cc(F)c1O 757450584 FTOUXIMXBXEZKL-UHFFFAOYSA-N 276.286 3.815 30 20 CHED Fc1cc(F)cc(C=NNCc2ccccc2Cl)c1 755662018 UJKUFFJYBBJNAX-UHFFFAOYSA-N 280.705 3.742 30 20 CHED Cc1cc(C)cc(NC(=O)CON=Cc2ccccc2C)c1 852221336 WGKWLKIWESWLFB-UHFFFAOYSA-N 296.370 3.601 30 20 CHED CCCCCCC=NNc1ccc(C(=O)O)cc1OC 756901075 IUHQCOFFKQDBTN-UHFFFAOYSA-N 278.352 3.762 30 20 CHED C=CCC[C@H](C(=O)NOCC1CCC1)c1ccccc1 856350820 RJXPHUVNXIUCLN-INIZCTEOSA-N 273.376 3.584 30 20 CHED COC[C@H](C#N)OC(=O)C1(C2CCCCC2)CCCCC1 857067993 UNUUPTUFQHPKSA-HNNXBMFYSA-N 293.407 3.599 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(SCCCO)cc1 926084610 OOHWINKTJCRUOO-CYBMUJFWSA-N 292.448 3.901 30 20 CHED C=C[C@@H](OC(=O)[C@@H](OC)c1cccc(OC)c1)C(C)(C)C 851008125 LSEFAMKHZXAPII-CABCVRRESA-N 292.375 3.527 30 20 CHED Cc1cccc2oc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc12 935662834 LPSYICFXEIWULE-INIZCTEOSA-N 296.370 3.896 30 20 CHED CCCC1(C(=O)OCc2ccc(F)cc2C#N)CCC1 759447411 FEQGBBLIXOSCNU-UHFFFAOYSA-N 275.323 3.711 30 20 CHED Cc1ccc(C)c(NN=Cc2nc(Cl)cs2)c1 758096768 XQOFNMNGBKWFRF-UHFFFAOYSA-N 265.769 3.859 30 20 CHED C=C[C@@H](CC)CC(=O)N1Cc2ccccc2C[C@H]1C 933492171 DAVLOGCGOVLRJP-KGLIPLIRSA-N 257.377 3.562 30 20 CHED N#CC1(CCCCN2Cc3ccc(O)cc3C2)CCC1 931166046 XLRZPPCXPZKYCY-UHFFFAOYSA-N 270.376 3.572 30 20 CHED Cc1ccc(C(=O)/C=C\c2cncn2C(C)C)cc1[N+](=O)[O-] 864086109 BMUZQWYSSLBQFH-SREVYHEPSA-N 299.330 3.577 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cccc(OC)c1 766772309 PMRJYHRZHNOQSV-FPLPWBNLSA-N 267.328 3.549 30 20 CHED COc1ccc(C=NNc2ccc(OC(F)F)cc2)s1 763169672 XYFCXTSTOGQCJN-UHFFFAOYSA-N 298.314 3.804 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(F)c(Cl)c1 863178824 HHBNKYCGFVUBCQ-SNVBAGLBSA-N 270.735 3.694 30 20 CHED CCOc1cccc(/C=C/C(=O)O[C@@H](C)C(C)(C)C#N)c1 860623577 NDYZJQPEQMVEKS-LXKVQUBZSA-N 287.359 3.580 30 20 CHED C#CCC(C)(C)C(=O)OCc1cc(-c2ccc(C)cc2)no1 767645745 CWDOEYVACYLDGT-UHFFFAOYSA-N 297.354 3.743 30 20 CHED CCCCCC[C@H](C)NN=C1CCC[C@H]1OCC 766454483 HXEPYHPGBGMUIZ-DZGCQCFKSA-N 254.418 3.880 30 20 CHED C#CCC(C)(C)COC(=O)/C=C/c1ccc2[nH]ccc2c1 760276025 ORWTVZLPIYBTCH-SOFGYWHQSA-N 281.355 3.774 30 20 CHED C#CCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)CC(F)(F)F 768531581 FSAVGRYJSGPAFZ-AAEUAGOBSA-N 285.309 3.791 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 58248127 RURNEMCTULNUNO-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CCC(CCc1ccccc1)=NNc1ccc(Cl)nn1 863066549 MEVARFCIWSMJQH-UHFFFAOYSA-N 288.782 3.941 30 20 CHED Cc1cccc2c1CCC2=NNc1cc(C#N)cc(Cl)n1 768381421 GQKOWQZQFXVDTN-UHFFFAOYSA-N 296.761 3.678 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1nc(C(C)(C)C)cs1 1116001889 QTRCBGVRLWIVLW-JTQLQIEISA-N 297.493 3.542 30 20 CHED C#CCCCCNC(=O)N1CCc2ccccc2[C@H]1C(C)C 764359628 LWNOXIWBFCQAAM-GOSISDBHSA-N 298.430 3.755 30 20 CHED C=C(C)CSc1ccc(S(=O)(=O)C(F)(F)F)cc1 1116191728 MZPHTMHSMXOFLT-UHFFFAOYSA-N 296.335 3.648 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNC(=S)Nc1ccccn1 769585942 QWVMQXBNXQDRCR-NEPJUHHUSA-N 290.436 3.570 30 20 CHED C#C[C@H](OC(=O)CC[C@@H](C)SC)c1ccc(C)cc1 860964239 KYEWSYVZXOBGLN-HIFRSBDPSA-N 276.401 3.744 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)OCCCCC(C)(C)C#N 768868811 GFZPRGXAMQBBCJ-CZUORRHYSA-N 265.397 3.932 30 20 CHED CC(=O)[C@](C#N)(CCN1CCC[C@H](C)[C@H]1C)c1ccccc1 878129519 KJUDRQHIKMUKLO-FRQCXROJSA-N 298.430 3.547 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H]2CC[C@H](C)C2)cc1 776332310 VBKBZGWKOFYBMR-QWHCGFSZSA-N 260.333 3.593 30 20 CHED C#CCOc1ccccc1CNCc1ccc(Cl)c(C)c1 779978084 PVNVRROEZQIXLR-UHFFFAOYSA-N 299.801 3.950 30 20 CHED Cc1cc(C=Nn2ccccc2=O)c(C)n1C1CCCCC1 776787273 TVSAJKYGLFDHHM-UHFFFAOYSA-N 297.402 3.654 30 20 CHED CCC(CC)CNN=Cc1cnc(C2CCC2)s1 774478923 SLXVNUYLSDZDAE-UHFFFAOYSA-N 265.426 3.770 30 20 CHED C#CCCCCCC(=O)N1CCCO[C@@H](c2ccccc2)C1 779904789 MCJFADWKLCPATC-GOSISDBHSA-N 299.414 3.560 30 20 CHED C#CCOc1cccc(Cl)c1C=NNCCC(C)(C)C 777445991 BGUBKUUEIXPSSC-UHFFFAOYSA-N 292.810 3.712 30 20 CHED CCS[C@@H](C(=O)Nc1cc(C#N)c(F)cc1F)C(C)C 876346938 POLFLELPJPLRJF-CYBMUJFWSA-N 298.358 3.553 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3CCCCC3(F)F)o2)cc1 1118430109 MCSYKXDXPAOOGK-LBPRGKRZSA-N 289.285 3.901 30 20 CHED CCCCC(=NOC1CCOCC1)c1ccccc1 774445876 YTRAZNOYWWSVKT-UHFFFAOYSA-N 261.365 3.777 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2cc(OC)ccc2c1 1116903697 WKZJQXODLBWCDO-INIZCTEOSA-N 283.371 3.933 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1ccc(CC#N)cc1 776110140 LCUBCSZZSNPCBL-UHFFFAOYSA-N 273.376 3.868 30 20 CHED C#CCCCCCC(=O)Nc1sc2c(c1C#N)CCC2 779717433 BAAGWAGOMFKWMC-UHFFFAOYSA-N 286.400 3.631 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H]1CCCC(F)(F)C1 879872411 HVVFIZQDAYKKLS-NSHDSACASA-N 259.340 3.530 30 20 CHED C#CC[C@@H](N[C@H](C)C1CCSCC1)c1ccccc1 779037679 DVLPYMMADNGVSB-RHSMWYFYSA-N 273.445 3.872 30 20 CHED CN(C(=O)[C@H]1CCC(F)(F)C1)c1ccc(C#N)c(Cl)c1 876168419 SMTVHINNQDOFGY-VIFPVBQESA-N 298.720 3.610 30 20 CHED C#CCCCCCC(=O)NCC1(c2ccc(F)cc2)CC1 779851006 PABZVVMPGIOGSX-UHFFFAOYSA-N 287.378 3.557 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@](C)(C#N)C1 770127800 OYROAZXJXIYISX-CQSZACIVSA-N 293.754 3.687 30 20 CHED COc1cc(C=NOCC2CCCC2)ccc1OC(F)F 771865204 OTOKJXFMRSRATO-UHFFFAOYSA-N 299.317 3.837 30 20 CHED CCC1(NC(=O)Nc2nc(Cl)c(C#N)s2)CCCC1 888422300 JREUMIPWIUSGMS-UHFFFAOYSA-N 298.799 3.512 30 20 CHED FC(F)(F)Oc1ccccc1NN=C1CCCOCC1 777451663 NNQDLAAPAXHRQP-UHFFFAOYSA-N 288.269 3.554 30 20 CHED O=C1/C(=C\c2nc3c(s2)CCCC3)Cc2ccc(F)cc21 776264749 IATDELZDYCEGQM-FLIBITNWSA-N 299.370 3.983 30 20 CHED C#CCCOc1ccc(C=NNc2cc(Cl)ccn2)cc1 777907427 UMNQVJQCHBKOQD-UHFFFAOYSA-N 299.761 3.583 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 1129808962 IUDYKJKXMHTGBU-AWEZNQCLSA-N 294.354 3.581 30 20 CHED CCN(CCc1ccccn1)[C@@H](C)c1cccc(C#N)c1 785469973 PHLWOWYUCRGOLM-HNNXBMFYSA-N 279.387 3.579 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)[C@H](CC#N)c2ccccc2)C1 1124859302 ZRJJWDGGOCQNMY-DJIMGWMZSA-N 284.403 3.721 30 20 CHED CSc1ccccc1CC(C)=NOCC(F)(F)F 782906507 AHZHIDQDGBQGNE-UHFFFAOYSA-N 277.311 3.906 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1cccc(Cl)c1 780251377 BNGNONQFKVTINP-CQSZACIVSA-N 280.799 3.611 30 20 CHED CCC(CC)NN=C1CCC[C@@H](C(F)(F)F)C1 783515873 AXTQAGAYYKXCHU-SECBINFHSA-N 250.308 3.873 30 20 CHED Fc1cc(Cl)ccc1C=NOCCC(F)(F)F 783524869 TZMLKOLRMTUMNY-UHFFFAOYSA-N 269.625 3.782 30 20 CHED CCCCCCCCC(=O)Nc1ccc(N(C)C)nc1 886960011 ADSKZLAJGGWBEJ-UHFFFAOYSA-N 277.412 3.837 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccsc3)cn2c1 789125884 ABZBBQOADZQJJP-ONEGZZNKSA-N 268.341 3.600 30 20 CHED CCCCO[C@H]1CC(=NNc2ncncc2Cl)C1(C)C 780274553 ABXSZRFBIQSEHM-LBPRGKRZSA-N 296.802 3.513 30 20 CHED CCSc1ccccc1C(C)=NOC[C@H]1CCOC1 788031440 DXUDYXPGCHHRPI-ZDUSSCGKSA-N 279.405 3.576 30 20 CHED CCc1cnccc1C(=O)/C=C\c1scnc1C1CC1 782352158 QXPKEOGGZXZGHI-WAYWQWQTSA-N 284.384 3.874 30 20 CHED CC(=O)c1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 783369504 YHIDSKXNCDSMNI-ZDUSSCGKSA-N 293.322 3.679 30 20 CHED CC[C@@H]1CCCN(c2nc(C)c(C#N)cc2Cl)C1 386545320 SBUWMDJKEBZFEA-LLVKDONJSA-N 263.772 3.542 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1cccs1 899336359 UMPGNYNTCGQBOD-VOTSOKGWSA-N 258.346 3.566 30 20 CHED C=CCOc1ccc(OC(=O)[C@@](C)(C=C)CC)cc1 785598653 PHRPYLTWCXKMBM-INIZCTEOSA-N 260.333 3.759 30 20 CHED C#CCC1(C(=O)N(CC(F)F)C2CCC2)CCCCC1 895143758 YXGNBZVSMIWUTG-UHFFFAOYSA-N 283.362 3.606 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)C1 546013902 BKJQJKKXNYIORS-GYMHETDLSA-N 276.424 3.647 30 20 CHED C#C[C@H](NC(=O)c1ccc2sccc2c1)C(C)(C)C 702250932 PGACLXZVCYUQTK-AWEZNQCLSA-N 271.385 3.679 30 20 CHED CC(=NNCCC(F)(F)F)c1csc(C(C)C)n1 794546254 SEAGBCWVYYMVFG-UHFFFAOYSA-N 279.331 3.533 30 20 CHED C=C(C)CCNCc1ccc(Br)s1 168963775 VZQKQSNFFKFWDM-UHFFFAOYSA-N 260.200 3.566 30 20 CHED C=C1CC(c2noc(-c3ccn(C(CC)CC)n3)n2)C1 896881369 AJQBUYPQYIRBCH-UHFFFAOYSA-N 272.352 3.728 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCCO2 398073005 NJDAVRSGIGFSEU-KGLIPLIRSA-N 275.392 3.853 30 20 CHED C#C[C@H](CCC)NC(=O)NCc1cc2ccccc2s1 791017800 XWYMAPHUDASLMR-CYBMUJFWSA-N 286.400 3.502 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cccc(O)c2)c(O)c1 799895967 SMXAUYUOGJVBBU-VOTSOKGWSA-N 268.312 3.611 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(OC(F)(F)F)cc2)C1 799720633 KSJOITKVINUZHZ-GXSJLCMTSA-N 270.254 3.689 30 20 CHED FC(F)(F)CCNN=Cc1c(Cl)oc2ccccc12 794552970 VPSFGYQFPNJZIQ-UHFFFAOYSA-N 290.672 3.962 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CCN(CC2CC2)C1 793541451 NIWSQDHGYHFBDY-WBVHZDCISA-N 264.457 3.585 30 20 CHED CC(C)[C@@H]1CN([C@@H](C)CCC#N)CCN1Cc1ccccc1 704734973 MXNKKRAHUBVIOT-HKUYNNGSSA-N 299.462 3.521 30 20 CHED C=CC[C@@H](CC)NCc1ccc(Br)cc1O 691486390 GKDSGPPFVDZFNV-GFCCVEGCSA-N 284.197 3.599 30 20 CHED c1ccc2c(c1)CC1(CCOCC1)C2=NOC1CCCC1 794921107 BNPBSVPAVCUKGC-UHFFFAOYSA-N 285.387 3.703 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)c1ccccc1C 799302399 JOSSACDLKNCREK-UHFFFAOYSA-N 278.355 3.842 30 20 CHED FC(F)C(F)(F)CNCc1ccccc1C(F)(F)F 191772197 VTBRRUZSUXVPLF-UHFFFAOYSA-N 289.194 3.695 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)cc1C#N 799296528 FRJVBMQWDKJQNL-AWEZNQCLSA-N 278.355 3.700 30 20 CHED C#CCCCCCC(=O)Oc1ccc2cccnc2c1 791863150 PZCMLWLOHOIBLY-UHFFFAOYSA-N 267.328 3.724 30 20 CHED CCCCCCCCCN(C)C(=O)c1n[nH]cc1C 799574487 XHNRVIKOEDYFHZ-UHFFFAOYSA-N 265.401 3.541 30 20 CHED C[C@H](CNC1CCN(c2ccc(C#N)cc2)CC1)C(C)(C)C 796770607 FUSJAYVHOUMJME-OAHLLOKOSA-N 299.462 3.799 30 20 CHED CC1=C(C)C[C@H](C(=O)N(C)c2ccc(C#N)cc2)CC1 568512732 GIKDJZZXWFQMFV-OAHLLOKOSA-N 268.360 3.658 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCCC2(C1)OCCO2 715604448 VJZIEWXEAVLFCV-HNNXBMFYSA-N 297.439 3.539 30 20 CHED CCSc1ccc(C(C)=NNc2ncncc2F)cc1 793199630 VZEYPSHTZRJLRV-UHFFFAOYSA-N 290.367 3.564 30 20 CHED C=C(C)COC(=O)CC(C)(C)CC(=O)c1ccccc1 799568748 CTXSQNAXGFEVOK-UHFFFAOYSA-N 274.360 3.795 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N1CCC(C)(C#N)CC1 576825033 DNHUOPKNWDFIKU-HNNXBMFYSA-N 276.424 3.911 30 20 CHED CN(C(=O)C1CCCCCCC1)c1cccc(C#N)c1 86579746 GWZLCVYBJIEWHE-UHFFFAOYSA-N 270.376 3.882 30 20 CHED CC(C)(CC(F)(F)F)Nc1c(F)c(F)nc(F)c1F 780640097 TTXLDMQIRBTIQR-UHFFFAOYSA-N 290.182 3.781 30 20 CHED C#CCN(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 792944811 YCUKRHQVVFVQAL-UHFFFAOYSA-N 295.226 3.789 30 20 CHED C[C@@H](Nc1cccc(OCC#N)c1)C1CCSCC1 793060864 FHEAGGICCZCNDH-GFCCVEGCSA-N 276.405 3.533 30 20 CHED Cc1cc(N[C@@H](C)COc2c(C)cccc2C)ncc1C#N 1306949864 OQKBAPMOTQBFRR-HNNXBMFYSA-N 295.386 3.758 30 20 CHED COc1cccc([C@H](C)Nc2ccc(F)cc2C#N)c1 97635468 QESVBHPKPQTCLK-NSHDSACASA-N 270.307 3.879 30 20 CHED CCC(CC)(CNc1cncc(C#N)n1)c1ccccc1 1162652920 XKPRMPBHBDBMJG-UHFFFAOYSA-N 280.375 3.518 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CC1(C)C 1310249699 DLCRJJQQNGMZIA-TZMCWYRMSA-N 289.354 3.644 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc([S@@](C)=O)cc1 1319077836 LLLVXDSSBPKRSK-JLTOFOAXSA-N 294.464 3.706 30 20 CHED O=C(CC#Cc1ccccc1)N1CCSc2ccccc21 1319203219 DQYQOTRAPBGUNI-UHFFFAOYSA-N 293.391 3.567 30 20 CHED C/C(=C\c1ccccc1)CNCc1cccc(OCC#N)c1 1318456838 NABLSYQFEIYDOV-FOWTUZBSSA-N 292.382 3.782 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1csc(C#N)c1 1324503482 VFSOHPRQEPMENK-AAEUAGOBSA-N 290.432 3.907 30 20 CHED C=CCC(C)(C)CNCc1nc2c(s1)C[C@H](C)CC2 1324492582 XPELKQINAYZTBC-GFCCVEGCSA-N 278.465 3.960 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)C1CC1 1323388240 QUXAEOAASNLIGZ-JTQLQIEISA-N 296.773 3.900 30 20 CHED C=C(C)C(C)(C)c1nnc(CCc2ccccc2)o1 1326988674 YHVPQPRBVNILNL-UHFFFAOYSA-N 256.349 3.709 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCc2cccc(C#N)n2)CC1 1621272147 WXRAOKBLFIIXNR-HUUCEWRRSA-N 271.408 3.648 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1320706645 KQKQXCWEQGHESO-CMPLNLGQSA-N 296.773 3.641 30 20 CHED Cc1ccc(CSCc2ccccc2C#N)nc1 1254221155 BWZPCHDKPNBUQB-UHFFFAOYSA-N 254.358 3.695 30 20 CHED CC1CC(CNc2nc(C(C)(C)C)ccc2C#N)C1 1651270628 BVLDJXSYDCKMAM-UHFFFAOYSA-N 257.381 3.709 30 20 CHED C=CCOCCNCC1CCC(c2ccccc2)CC1 1330189557 SNFFLXMYZKIHES-UHFFFAOYSA-N 273.420 3.753 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C(c1ccccc1)c1ccccc1 1339160371 GJNVRAICDJBSMG-HNNXBMFYSA-N 292.382 3.579 30 20 CHED Cc1ccc(CC2CCN(c3ccnc(C#N)c3)CC2)cc1 1338370044 XVZNLAHUAUVWFS-UHFFFAOYSA-N 291.398 3.721 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1)C1CC1 1345672846 BVCFBLNOTZWVHL-GXMKHXEJSA-N 299.761 3.749 30 20 CHED C=C(CC)C(=O)NC(C)(C)c1nc2ccccc2s1 1347131862 FXGSTYVEKAVHLN-UHFFFAOYSA-N 274.389 3.614 30 20 CHED C=C(CC(C)C)C(=O)NC[C@H]1CCCCC1(F)F 1347016775 RBSRQYALPZPDHL-GFCCVEGCSA-N 259.340 3.530 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1CC(=O)O 103357303 SKKCEMPWTFGKDC-CQSZACIVSA-N 283.412 3.593 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)c1cncs1)c1cccs1 1343907403 XGBRCUOURUSEMG-SKDRFNHKSA-N 292.385 3.652 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 1346454711 HRIRVUGRUQLQMT-CYBMUJFWSA-N 285.391 3.761 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)O[C@@H](CC#N)c2ccco2)cc1 1345982611 VTNIVGHANORAQM-PBHICJAKSA-N 297.354 3.965 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](c2ccccc2C)C1 1354475746 URPOGQTYXHQIIA-HNNXBMFYSA-N 257.377 3.667 30 20 CHED CC(C(=O)Nc1ccc(Cl)cc1C#N)=C1CCC1 1353509603 JSALOJSQPFROSI-UHFFFAOYSA-N 260.724 3.651 30 20 CHED CCc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1F 1271980375 FCBPQZCVJPFGMZ-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1 1353904223 IYBNAJHWNFDYJV-LBPRGKRZSA-N 265.303 3.536 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)ccc2C)ccc1F 1528237258 XXCPADORAZTRBZ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CCCCCCCCNC(=O)N1CCC(O)(C(C)C)CC1 1527619255 STNYIEJMAFJSRJ-UHFFFAOYSA-N 298.471 3.539 30 20 CHED N#CCCN(Cc1ccco1)C(=O)c1ccsc1Cl 1292290425 NBMRKMXCOZVSJZ-UHFFFAOYSA-N 294.763 3.551 30 20 CHED O=C(O)c1coc(/C=C\C(=O)c2ccc(Cl)cc2)c1 1608987210 IVEWJZDFPWTSGD-WAYWQWQTSA-N 276.675 3.527 30 20 CHED CN(C(=O)c1ccsc1C(F)F)c1ccc(C#N)cc1 1538804987 QZNLIMIBPXXMEE-UHFFFAOYSA-N 292.310 3.834 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1cc2ncccc2o1 1538948135 WDBUOGLSSYVJPD-UHFFFAOYSA-N 297.701 3.605 30 20 CHED CCCCCCCCN1CC[S@@](=O)C(C)(C)CC1 832021108 UIGPADLYTQDFID-GOSISDBHSA-N 273.486 3.580 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1Cc1ccc(C#N)cc1OC 1473245469 RVOJKZYVTAIQTC-WMLDXEAASA-N 286.419 3.967 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)C1(C#N)CCCCC1 1544683540 AHCJKJMYVYLVIW-CABCVRRESA-N 276.424 3.793 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)c1cccc(C)c1F 1624747417 OXNQCDFTTHGKBI-UHFFFAOYSA-N 296.345 3.981 30 20 CHED C=CC[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 852410674 PFKROOHGYGIJNN-SNVBAGLBSA-N 256.802 3.585 30 20 CHED CCCCCCCCC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1635136244 NXSMGORJFJZSAI-APIJFGDWSA-N 251.414 3.898 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NCc2ccc(OCC#N)cc2)C1 246942339 OITGUHBZYNXXHR-FOLVSLTJSA-N 272.392 3.503 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N1CC[C@@H](C)C1 1740810412 VDQQBSYKLUAJQU-LLVKDONJSA-N 294.830 3.534 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(F)c(C(=O)O)c1Cl 1588451220 PPIVSMHXSCNNCZ-QMMMGPOBSA-N 299.729 3.718 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](N=c2cc[nH]cc2C#N)C1 1651143599 DLJCLIOZBISYSL-QILLFSRXSA-N 291.398 3.759 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2C#N)C1 1667625181 UTXOZLFYVYNTHD-NWDGAFQWSA-N 289.354 3.645 30 20 CHED CCNc1ccccc1CN(CCC#N)CCC(C)C 1663717356 KOMGJQOVHQTCTL-UHFFFAOYSA-N 273.424 3.880 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)c(F)c1 1596288410 DWRGVEYFUJKGNB-RYUDHWBXSA-N 274.339 3.852 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O 124562836 SJIKVMQJKRWVAW-LSDHHAIUSA-N 279.424 3.707 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1scnc1C 1776786738 IRQYXFYIWJCFNQ-ZDUSSCGKSA-N 298.452 3.745 30 20 CHED Cc1c(NN=C[C@H](C)c2ccccc2)cccc1C(=O)O 1776086322 MOMYXVNAXTUBLD-LBPRGKRZSA-N 282.343 3.895 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc2ccccc12 233356634 PBZLDGIUIBCIJN-CQSZACIVSA-N 266.344 3.763 30 20 CHED CC[C@@H]1CCCCCN1CCC(=O)Nc1ccccc1C#N 150746343 CDJNVDZXXWTINU-MRXNPFEDSA-N 299.418 3.541 30 20 CHED C=C(C)CNC(=O)c1oc2ccccc2c1COC(C)C 160964087 KZMAMCRJTJSXQH-UHFFFAOYSA-N 287.359 3.664 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Cc1cccc(Cl)c1 157579043 DCAHTCAEJLKHAQ-CYBMUJFWSA-N 277.795 3.719 30 20 CHED C=CCN(C)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 154226256 MDGAOBNDCPMPEV-CQSZACIVSA-N 274.408 3.570 30 20 CHED C=C(C)CNC(=O)Nc1cccc(Oc2ccncc2)c1 157409768 WELYZGXQTGOPFI-UHFFFAOYSA-N 283.331 3.572 30 20 CHED C=CC1CCN(C(=O)[C@H](C)OC2CCCCCC2)CC1 154560746 CHJDCBICPRWNIZ-AWEZNQCLSA-N 279.424 3.539 30 20 CHED C[C@@H](C#N)OCCSc1nc(-c2ccccc2)cs1 801653732 JGBRENOOSIWXRF-NSHDSACASA-N 290.413 3.831 30 20 CHED CCC(C#N)(CC)C(=O)N(C)[C@@H](C)C1CCCCC1 1128460084 KDKGENPLCIDJTJ-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED N#Cc1ccc(CCOc2ccc(Cl)cc2)cc1 41328786 ZDQVIKGRZSBVBV-UHFFFAOYSA-N 257.720 3.833 30 20 CHED COc1ccc(Cl)cc1CNc1ccccc1C#N 35221898 LPGIVXBWMUJCLB-UHFFFAOYSA-N 272.735 3.832 30 20 CHED COc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 37216281 MVGBUTPTIHBGJF-LBPRGKRZSA-N 252.317 3.740 30 20 CHED C=CCN(CC=C)Cc1nnc(-c2ccccc2Cl)o1 70925989 DGDHGRDHYUBHKN-UHFFFAOYSA-N 289.766 3.564 30 20 CHED Cc1cc(C#N)cc(N[C@H](C)c2cccc(C#N)c2)c1 308156135 QVHHSJBPZQSCQQ-CYBMUJFWSA-N 261.328 3.911 30 20 CHED Cc1nc(COc2cc(C)c(C#N)c(C)c2C)cs1 311388209 CFXFGFOTSQTNEY-UHFFFAOYSA-N 272.373 3.827 30 20 CHED C=CCCCCCCNCc1c(C)nc2ccccn12 312421022 KLLJEBJARARTDN-UHFFFAOYSA-N 271.408 3.869 30 20 CHED N#CCc1cccc(NCc2ccc3c(c2)CCC3)c1 313433357 FYBABTPDJHFNRZ-UHFFFAOYSA-N 262.356 3.853 30 20 CHED N#Cc1ccc(C[S@](=O)Cc2ccccc2Cl)cc1 78289127 FQSNOIIMYFLLKQ-LJQANCHMSA-N 289.787 3.661 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1cccs1 88604466 QNWHQFXOTZGSHU-MRXNPFEDSA-N 287.428 3.860 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)[C@H]2CCC[C@H]21 378847411 TXYJAVNMRCWVGB-CVEARBPZSA-N 254.377 3.569 30 20 CHED CSCCCCC(=O)Nc1ccc(Cl)cc1C#N 953045613 HUDLVGRFQGNBPS-UHFFFAOYSA-N 282.796 3.683 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)CCCC)c1 102858805 WWKACFWGOLQAQL-UHFFFAOYSA-N 281.355 3.984 30 20 CHED CCOc1ccc([C@@H]2CCCN2CCCCC#N)cc1 57626555 ZOKXPGVDQYVFFA-KRWDZBQOSA-N 272.392 3.916 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccs1 116974082 HHVABDXGVVUICW-VXGBXAGGSA-N 264.394 3.559 30 20 CHED C=C1CCN(C(=O)Cc2ccc(CCCC)cc2)CC1 111175302 HXZKJDVQOOJQLR-UHFFFAOYSA-N 271.404 3.750 30 20 CHED Oc1ccc2ccccc2c1/C=N/Cc1ccncc1 22726799 FCAGMFAUUJRCBQ-XDHOZWIPSA-N 262.312 3.560 30 20 CHED CCCN(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 108532559 JGDSWXRDBYQMDC-LBPRGKRZSA-N 291.420 3.812 30 20 CHED C=C(C)CNCc1cnc(-c2ccc(C)cc2)s1 119617204 BEHRIJCDHPSZCJ-UHFFFAOYSA-N 258.390 3.784 30 20 CHED Cc1ccc(N(C)C(=O)CSc2ccc(C#N)cc2)cc1 103007142 CDAIZVPYEWWRHU-UHFFFAOYSA-N 296.395 3.622 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C)cc1OCCC 54957386 JDFGZUPLNVCKJN-UHFFFAOYSA-N 278.421 3.646 30 20 CHED C=C(Cl)CSc1nnc(Cc2ccccc2OC)o1 66258152 ZKUHLHCIZLJVHK-UHFFFAOYSA-N 296.779 3.514 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 175739135 VOFCUEUORCHKKZ-ZDUSSCGKSA-N 284.359 3.875 30 20 CHED C#CCCCNC(=O)Nc1ccccc1Cc1ccccc1 174460313 POTGONTZRLGZOF-UHFFFAOYSA-N 292.382 3.812 30 20 CHED COc1ccc(C)cc1CCN[C@@H](C)c1ccc(C#N)cc1 173838086 XLDPOBXPXKCYLD-HNNXBMFYSA-N 294.398 3.769 30 20 CHED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccncc1 181806701 DYGWXVRIPWUGGN-CXAGYDPISA-N 265.360 3.755 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)C1CCN(C(=O)OC)CC1 186766003 JBCVDGGZIBXIQD-ZBFHGGJFSA-N 296.455 3.578 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(OC(F)F)c1 187708382 NLBBHWIFEBOHJD-HNNXBMFYSA-N 283.318 3.507 30 20 CHED CCN(Cc1ccccc1C#N)[C@@H](C)c1cccc(O)c1 174614424 WSKXRKMCPVZZEX-AWEZNQCLSA-N 280.371 3.847 30 20 CHED Cc1cccc(C2(C(=O)N3CCC(C#N)CC3)CCCC2)c1 171208141 IGONHUPCVINSID-UHFFFAOYSA-N 296.414 3.569 30 20 CHED CC1(C)CCc2ccccc2[C@H](NC(=O)C2(C#N)CCC2)C1 407974893 OTDVJLQLUHODJI-MRXNPFEDSA-N 296.414 3.900 30 20 CHED CO[C@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1 181998732 GUTITVBZFBRYKX-SCLBCKFNSA-N 298.361 3.736 30 20 CHED COc1ccc(CNc2nccc3sccc23)cc1C#N 119944154 BVOYUAWDFGEFKG-UHFFFAOYSA-N 295.367 3.789 30 20 CHED CC1(Nc2ccc(Cl)c(C#N)n2)Cc2ccccc2C1 301931745 OXRWEVSYQGMSLL-UHFFFAOYSA-N 283.762 3.576 30 20 CHED N#Cc1ccc(Oc2ccc(NC(=O)NC3CC3)cc2)cc1 69072692 CHYHBLKJAWZTIS-UHFFFAOYSA-N 293.326 3.634 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCCc2sccc21 302888825 OQRNPXHMFGRHCQ-CQSZACIVSA-N 279.368 3.981 30 20 CHED Cc1ccc(CSCCNc2ccc(C#N)nc2)cc1 301574106 LRDWXWFITZSTBB-UHFFFAOYSA-N 283.400 3.607 30 20 CHED Cc1ccc(Cl)c(OC(=O)C2(C#N)CCCC2)c1 20962266 DRQDNPJQSCXYSZ-UHFFFAOYSA-N 263.724 3.638 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)OC1CCCCCC1 119728383 FZWXEDFJAZZVSV-AWEZNQCLSA-N 267.413 3.539 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(OC)c2OC)cc1 33410899 IECVLMVZGCYCSZ-XFXZXTDPSA-N 298.338 3.609 30 20 CHED C=CCn1c(SCCSCC)nnc1-c1ccco1 118611695 OPQDLUOTOXKUAA-UHFFFAOYSA-N 295.433 3.569 30 20 CHED Cc1ccc(CC/N=C(/N)Nc2cc(C)cc(C)c2)cc1 304764375 XYZFEJFAOJVYOC-UHFFFAOYSA-N 281.403 3.581 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(C(F)F)c2)C1 172310665 DWXAYMGHSJXUBC-BZNIZROVSA-N 292.329 3.826 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1cccc(C(F)(F)F)c1 125028825 AEUQOUWPHAKXPC-JTQLQIEISA-N 288.265 3.592 30 20 CHED C=CCN(CC=C)C(=O)CSc1ccnc2ccccc12 68274811 SQMYCMWINMDLRW-UHFFFAOYSA-N 298.411 3.528 30 20 CHED N#Cc1ccc(CNCc2ccccc2OCC2CC2)cc1 63521722 DRXTUWQTDONMIS-UHFFFAOYSA-N 292.382 3.637 30 20 CHED C=CCN(CCOc1ccccc1)Cc1cccc(C#N)c1 63300821 YZQZRNGPJFWHGN-UHFFFAOYSA-N 292.382 3.625 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(OC(C)C)cc1 122740873 ZURDXJLKYBRXMP-UHFFFAOYSA-N 287.403 3.858 30 20 CHED Cc1cnc([C@H](C)CNc2ccc(F)cc2C#N)s1 302112144 AUAHFCTVTNPRRD-SECBINFHSA-N 275.352 3.678 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc(Cl)c(C#N)n1 301597702 XCBMKDJHYFMNKR-UHIISALHSA-N 275.783 3.764 30 20 CHED Cc1cccc(Nc2ccccc2C(=O)N[C@@H](C)C#N)c1C 125624917 QXUCQCJXXUPBJQ-ZDUSSCGKSA-N 293.370 3.689 30 20 CHED CC(C)(NCCCC#N)c1cccc(Cl)c1F 186887477 QRILQTADEMLLGS-UHFFFAOYSA-N 254.736 3.608 30 20 CHED CC[C@@H](CC#N)NC(=O)/C=C(\C)c1cccc(Cl)c1 183791911 JMTGXXQDMJLGAS-MARXPDLDSA-N 276.767 3.552 30 20 CHED Cc1c(N[C@@H]2CCC[C@@H](C#N)C2)cnn1-c1ccccc1 185891277 XIXKRPVPCUZPNH-HUUCEWRRSA-N 280.375 3.675 30 20 CHED C=CCN(CC=C)Cc1cscc1C(F)(F)F 356087165 NEMGDGLHOJNRTE-UHFFFAOYSA-N 261.312 3.941 30 20 CHED C=CCOCCCC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 416287766 KGQVVLRKOYPFAM-GJZGRUSLSA-N 281.440 3.642 30 20 CHED COC1(CCNc2ccc(C(F)(F)F)cc2C#N)CCC1 315423204 IGMZYPBECOUEAU-UHFFFAOYSA-N 298.308 3.948 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C#N)c1ccccc1Cl 188048723 VSTLAEIMPFYNTA-HIFRSBDPSA-N 276.767 3.623 30 20 CHED CC[C@@H](CC#N)NCc1cccc(OC2CCCC2)c1 184081599 VFZGURYEEQCDNT-HNNXBMFYSA-N 272.392 3.790 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2cccc(C)c2C)n1 488428329 AWBGRHAFMDOCAK-UHFFFAOYSA-N 265.360 3.515 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H](C#N)C1 414311951 ZDRQQRYLGDWREV-KZNAEPCWSA-N 268.404 3.846 30 20 CHED C=CCCSc1nnc(-c2ccoc2C)n1CC=C 128620172 KQRALRIOOCLIEZ-UHFFFAOYSA-N 275.377 3.701 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCCC1 500303064 MWPZGUHUQRWVGS-UHFFFAOYSA-N 284.403 3.733 30 20 CHED C=CCNC(=O)CS[C@@H](C)CCSc1ccccc1 121162817 OMDFDLSVTVGLLU-ZDUSSCGKSA-N 295.473 3.593 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc2c(cc1C)OCO2 183783991 PNLBBBURKIALCV-GFCCVEGCSA-N 290.363 3.590 30 20 CHED Cc1cc(C(=O)N(CCC#N)Cc2ccco2)sc1C 126208310 XCEPTEVPYVDVGY-UHFFFAOYSA-N 288.372 3.514 30 20 CHED C=C(C)CN(C)C(=O)c1cc(C2CC2)nc2ccccc12 180416551 DMGQPOHHZNFXQL-UHFFFAOYSA-N 280.371 3.760 30 20 CHED C=CCOc1ccc(C(=O)N2CCCC[C@H](C)C2)cc1 187089135 QMBITNKEXNPEDB-AWEZNQCLSA-N 273.376 3.514 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 120583073 ZPFUWBGHHUZSMD-SUMWQHHRSA-N 298.411 3.582 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)c(-c2ncco2)c1 120020243 KGTRQLUYYSYHPU-UHFFFAOYSA-N 282.343 3.782 30 20 CHED CC#CCN1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 502743436 BDEMKFZGCMIIRK-KRWDZBQOSA-N 297.377 3.766 30 20 CHED Cc1cc(NCCCCC#N)c2cc([N+](=O)[O-])ccc2n1 181501775 ADXNHYZFKDUHLH-UHFFFAOYSA-N 284.319 3.557 30 20 CHED C=CCC[C@@H](C(=O)Nc1ccc(C#N)cn1)c1ccccc1 187576829 SPVWDDCITLQPCD-MRXNPFEDSA-N 291.354 3.642 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 184903828 QYAUNBBJUATUTL-VXGBXAGGSA-N 293.794 3.630 30 20 CHED N#Cc1csc(CN2CCC[C@H]2c2ccccc2)c1 123674092 GGNXRODRTLFXSC-INIZCTEOSA-N 268.385 3.957 30 20 CHED CCCOc1ccc(CNc2ccc(CC#N)cc2)c(O)c1 185147769 MWDICYZDDQHNCI-UHFFFAOYSA-N 296.370 3.859 30 20 CHED O=C1/C(=C/c2cccc(O)c2)Cc2cc(Cl)ccc21 78696437 ZQASIPDFBAAIPU-WUXMJOGZSA-N 270.715 3.868 30 20 CHED CCc1ccc([C@H](C)NCC(C)(C)CC#N)s1 414169499 RVLSSCQTZZBIPM-NSHDSACASA-N 250.411 3.901 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(c2ccccc2)CC1 210807201 PYONBPCKLWLCHY-UHFFFAOYSA-N 271.404 3.995 30 20 CHED C#Cc1cccc(N(C(=O)CCc2ccco2)C(C)C)c1 77293925 QHWDHTVYJBWDPF-UHFFFAOYSA-N 281.355 3.635 30 20 CHED CC[C@](C)(NCCC(C)(C)C#N)c1nc(C)cs1 131911347 NVAHYHWBRANLOH-AWEZNQCLSA-N 265.426 3.606 30 20 CHED CCC1(CC)CCN(Cc2cc(C#N)ccc2OC)CC1 130459895 AMYVJTRVPQGQJQ-UHFFFAOYSA-N 286.419 3.969 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC2(CCOCC2)c2ccccc21 189852308 MWCZMWNPNGAGMW-OAHLLOKOSA-N 299.414 3.684 30 20 CHED C[C@@H]1C[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C#N 42981055 VKZKTRBESSJQFW-UKRRQHHQSA-N 290.366 3.611 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)c1cc2ccccc2o1 410824941 FCXDOTCDECVTND-TZMCWYRMSA-N 284.359 3.687 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H]1CC(C)C 501208220 IWRWNVFBPOSSTL-MRXNPFEDSA-N 272.392 3.577 30 20 CHED O/C(=N/C1CCCC1)C1CCC(/N=C(/O)C2CC2)CC1 329999345 UPCYLRYZFWKMSZ-UHFFFAOYSA-N 278.396 3.811 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](CC(C)C)C1 509009683 DHAOTLMNOMIMSA-GJZGRUSLSA-N 290.455 3.850 30 20 CHED CC[C@@H]1CCC[C@@H]1/N=C(/O)[C@H]1CCC(=O)c2cccn21 329847984 NBCFXFQOYDPAOW-MBNYWOFBSA-N 274.364 3.541 30 20 CHED N#Cc1cc(F)cc(NCc2ccccc2Cl)c1 227604796 LTRKWYHKKOXUNX-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCC1(CNC(=O)N[C@H](CCC#N)c2ccccc2)CCC1 133738087 CZOQQMGHLFDVHZ-MRXNPFEDSA-N 299.418 3.911 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(C#N)c1 82349609 YEJLQYHHVBLTQU-RDTXWAMCSA-N 290.366 3.576 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccccc2F)cc1 49900980 BSRQALMSHDGHCE-QGZVFWFLSA-N 296.345 3.725 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCC2)cc1 131471334 FUDJGNHABZCZRF-LRDDRELGSA-N 298.386 3.648 30 20 CHED CC[C@H]1OCCC[C@H]1C(O)=Nc1cccc2ocnc12 328861297 APWVBYWTFRDWKX-ZYHUDNBSSA-N 274.320 3.621 30 20 CHED C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC[C@H](C#N)C1 424318712 DIHUFIHEMSCFSW-OSAQELSMSA-N 296.336 3.918 30 20 CHED N#Cc1cccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 610271344 HURXYJFNZVMWPG-IXDOHACOSA-N 254.377 3.617 30 20 CHED Cn1nccc1/C=C/C(=O)c1cccc(-c2ccccc2)c1 195194535 XNJPZWKIOMJMPS-ZHACJKMWSA-N 288.350 3.983 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)cc2F)c(F)c1 134572129 ZJVIZIGJMFJQLB-UHFFFAOYSA-N 287.265 3.618 30 20 CHED Cn1nccc1C(=O)/C=C/c1cc2ccccc2s1 193056965 DJGZODQEMNXNEZ-VOTSOKGWSA-N 268.341 3.531 30 20 CHED CCCc1[nH]ccc1C(=O)N[C@H](CCC#N)c1ccccc1 421793743 XXLQHIPNJSXNHR-MRXNPFEDSA-N 295.386 3.742 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N(CC#N)C1CCCC1 424674624 DLBNSCGCVVQWDV-INIZCTEOSA-N 298.430 3.859 30 20 CHED C=CC1CCN(C(=O)c2cccc(Cl)c2C)CC1 192523942 FANIWCFFYHZQSO-UHFFFAOYSA-N 263.768 3.687 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CCCC)c1ccccc1 519999825 ZPMADISGWOECML-HNNXBMFYSA-N 275.392 3.801 30 20 CHED N#CCN(C(=O)c1sccc1Cl)c1ccccc1 335859087 MGTQMFCSDDWNPB-UHFFFAOYSA-N 276.748 3.572 30 20 CHED Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H](C)C#N)c1 334314370 PDUCMRCTTUMQKO-HOCLYGCPSA-N 270.376 3.598 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2nc3ccccc3n2C)CCC1 192240625 ANQDYPQELSRQEL-CYBMUJFWSA-N 298.386 3.924 30 20 CHED Cc1ccnc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 334903176 CAPDYJPKLSOZSV-KSSFIOAISA-N 291.398 3.990 30 20 CHED CC(C)Oc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1 513858128 VKIBOSCKJMDUND-UHFFFAOYSA-N 277.327 3.889 30 20 CHED CCOc1ccc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)cc1F 331293648 QVYYLZNOIVWLGA-GHMZBOCLSA-N 280.343 3.739 30 20 CHED C=C1CCN(C(=O)C2(c3ccc(OC)cc3)CCCC2)CC1 518181982 UJEPYRJCUORVIB-UHFFFAOYSA-N 299.414 3.686 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 191995383 OAMYFODYKLZGPD-ROUUACIJSA-N 283.415 3.975 30 20 CHED N#Cc1ccc(CN2[C@H]3C=CC[C@H]2CC3)c(Cl)c1 615227098 VMQWMLKRXNJJRF-KBPBESRZSA-N 258.752 3.505 30 20 CHED CC[C@H](C)c1nc([C@H](C)/N=C(/O)c2cc(C)oc2C)n[nH]1 331118328 FMMUAUMARMAGIX-WPRPVWTQSA-N 290.367 3.594 30 20 CHED C/N=C(/O)c1cccc(NC(=O)CCC2CCCC2)c1C 330523799 PHPYZZGGFHDBAA-UHFFFAOYSA-N 288.391 3.838 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1 96403086 LJOXPLCWRXYALI-WMZJFQQLSA-N 287.309 3.927 30 20 CHED C[C@@H](NC(=O)N1CCCC(C)(C)CC1)c1ccc(C#N)cc1 332293533 JNJRFONACYIWNS-CQSZACIVSA-N 299.418 3.841 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 332673579 FWOCCCYXCVMNDW-BARDWOONSA-N 276.424 3.647 30 20 CHED N#CCCN(Cc1cc2cc(F)ccc2o1)CC1CC1 93091260 RVUJCROZWDTRGM-UHFFFAOYSA-N 272.323 3.698 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(F)ccc1O 436544325 OPKUOCPOWBXISS-UHFFFAOYSA-N 291.366 3.740 30 20 CHED C=C1CCN(Cc2cc(C(F)(F)F)ccc2F)CC1 513447584 ODTPSFVQTMYYHU-UHFFFAOYSA-N 273.273 3.997 30 20 CHED CCCc1nc(/C(O)=N/CCC2=CCCCC2)co1 330429269 VASFRATWNJEJGV-UHFFFAOYSA-N 262.353 3.822 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2c(F)ccc(F)c2C1 437493830 GXIXHJAMYRBIOM-GFCCVEGCSA-N 298.336 3.956 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1CCCc2occc21 432085714 RSYYPQXLAUHWBO-ZDUSSCGKSA-N 276.380 3.559 30 20 CHED C[C@H](NC(=O)NCC1(CC#N)CC1)[C@@H](C)C1CCCCC1 430844244 JRHINUAUQXEMTO-KGLIPLIRSA-N 291.439 3.584 30 20 CHED CCN(Cc1ccc(Br)c(C)c1)C[C@@H](C)C#N 91982733 MXOFZALMAUAYTF-NSHDSACASA-N 295.224 3.739 30 20 CHED N#Cc1ccc(OCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 344662691 KFGYXFRODVDKIQ-WCFLWFBJSA-N 289.762 3.596 30 20 CHED N#Cc1ccc(NCC2(c3ccccc3)CCCC2)nc1 247640729 HHHVHJYCDZRFQQ-UHFFFAOYSA-N 277.371 3.877 30 20 CHED Cc1ccc(SCCN(C)CC(C)(C)C#N)cc1C 433304505 KVMBJGWRZPUCQQ-UHFFFAOYSA-N 276.449 3.877 30 20 CHED C=CCCC[C@H](C)NC(=O)NCC(C)(C)CC=C 432367430 KNSNUSWIESHRKV-ZDUSSCGKSA-N 252.402 3.633 30 20 CHED N#CCCCN[C@@H]1CCCc2c(Br)cccc21 346811009 SYMLGVRCDZGCLQ-CQSZACIVSA-N 293.208 3.720 30 20 CHED C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 248850157 FDJGMLRFLWQJAK-NZUILWFCSA-N 297.402 3.699 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn([C@H](C)CC)c1C 349961277 DGUMXSGSERMSBJ-LLVKDONJSA-N 263.385 3.703 30 20 CHED C=CCC[C@H](C)NC[C@](C)(Cc1ccccc1)[C@H](C)O 249475050 JIDBOIZWDNVXQD-BQFCYCMXSA-N 275.436 3.561 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(F)cc1N(C)C 348213094 IDAGLDIBCMOYIN-CYBMUJFWSA-N 291.414 3.872 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1ccc(NC(=O)C2CC2)cc1 345937787 RWMYNPWCGFLRRH-CYBMUJFWSA-N 299.418 3.626 30 20 CHED C=CCN(C(=O)C1(c2ccc(F)cc2F)CCC1)C1CC1 347891451 BQTWQYMDUOADEM-UHFFFAOYSA-N 291.341 3.564 30 20 CHED N#CCCCC(=O)Nc1nc(C2CCCCC2)cs1 601699377 COOHWSTWNGNXBD-UHFFFAOYSA-N 277.393 3.823 30 20 CHED C[C@@H](CCC#N)CN[C@H]1c2ccccc2CC12CCOCC2 602667213 NQJIEERCECFADX-YJBOKZPZSA-N 298.430 3.610 30 20 CHED CCN(CCC#N)C(=O)CCc1ccc2ccccc2c1 343876986 WRZBRSVAWRXVGO-UHFFFAOYSA-N 280.371 3.535 30 20 CHED C[C@H](C#N)CN(CCc1cccc(C(F)(F)F)c1)C1CC1 600121562 WSELMCUSCSPYAI-GFCCVEGCSA-N 296.336 3.872 30 20 CHED C=CCOc1ccc(C(=O)N(CC)[C@@H](C)C(C)C)cc1 342282242 OKWDXJOENDVODZ-AWEZNQCLSA-N 275.392 3.758 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)cnc1Cl 297736804 MWUAUEJLQMOXDF-UHFFFAOYSA-N 259.136 3.683 30 20 CHED C=CC[C@H](C)NC(=O)N1CC(C)(C)[C@H]1c1ccccc1 604900779 JQPULZJXQULPEG-DZGCQCFKSA-N 272.392 3.744 30 20 CHED C=C(CC)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 342231361 OAZYLWIBRBSGIH-WBVHZDCISA-N 259.393 3.710 30 20 CHED COc1cc(F)cc(CN(CCC#N)CCC(C)C)c1 449021950 GBYWWFWJISZVIK-UHFFFAOYSA-N 278.371 3.596 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCCOc2ccccc21 351774484 NCEROTLEGKGEDS-HNNXBMFYSA-N 288.391 3.556 30 20 CHED Cc1ccc(-c2cccc([C@H]3CCNC3)c2)cc1C#N 600794986 VMGHOQLBJQTIQD-KRWDZBQOSA-N 262.356 3.611 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)Cc1cccc(C#N)n1 602476053 VLNJPDCAKYWTNN-GOSISDBHSA-N 279.387 3.782 30 20 CHED CCN(Cc1cccc(F)c1N)[C@H](C)c1ccc(C#N)cc1 602443744 KWESWSQVVHKJSG-CYBMUJFWSA-N 297.377 3.863 30 20 CHED C[C@H]1SCCN(CC2(CC#N)CC2)[C@@H]1c1ccccc1 602778576 GYOLFRUVWYZLAQ-ZBFHGGJFSA-N 286.444 3.859 30 20 CHED CCCN(CC1CC1)C(=O)C[C@H](CC#N)c1ccccc1 353307180 RCQPLRVQNQTVHB-KRWDZBQOSA-N 284.403 3.723 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C1 354796280 YIGVIRAITRABIF-LBPRGKRZSA-N 290.794 3.720 30 20 CHED CC[C@@H](NCCCSCC#N)C1CCCCC1 611433794 VYBJKAFNFOJGNY-CQSZACIVSA-N 254.443 3.582 30 20 CHED CC1(C)CCCN(Cc2ccc(OC(F)F)cc2)[C@H]1C#N 444720595 CGNOENRCBSGYGF-AWEZNQCLSA-N 294.345 3.802 30 20 CHED Cc1ccc(/C=N/OCc2sc(C)nc2C)cc1 266252037 BXBXZYBEJPLRPQ-OVCLIPMQSA-N 260.362 3.619 30 20 CHED C=CCOc1ccc(CN[C@@H](CC)[C@H](O)CC)cc1Cl 449636595 DQVLVTCEEAHXHP-LSDHHAIUSA-N 297.826 3.544 30 20 CHED Cc1ccc(C#N)c(NCc2ccc([C@H]3C[C@H]3C)o2)n1 536575264 RZQHSLCNDGTPAZ-YGRLFVJLSA-N 267.332 3.590 30 20 CHED Cc1cc(CSCc2ccc(Cl)cc2C#N)on1 357416430 ONPVTNZFOVVKMM-UHFFFAOYSA-N 278.764 3.942 30 20 CHED C=C[C@@H](C)N[C@@H](CC)c1cc(Cl)ccc1OC 358304185 RDXBOYUAJBWZCY-MFKMUULPSA-N 253.773 3.964 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C1(C)C 611527065 PHILJIDNGHDNAU-XNJGSVPQSA-N 276.424 3.669 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCCCC(C)(C)C2)c1 445676799 VKUPIHAUEQRIFY-UHFFFAOYSA-N 270.376 3.777 30 20 CHED Cc1sc(NC(=O)[C@H](C)c2ccco2)c(C#N)c1C 610168316 UWBPYIKBFBWJIA-SECBINFHSA-N 274.345 3.572 30 20 CHED Cc1nn(-c2ccccc2)c(CN(C)[C@H](C)C(C)C)c1C#N 611346330 YLQVUOLUHJZVOY-OAHLLOKOSA-N 296.418 3.529 30 20 CHED C=CCCC(=O)Nc1ccccc1N1CCCCC1 263655708 IHNWPTSQAKSQCO-UHFFFAOYSA-N 258.365 3.582 30 20 CHED CC1(CNC(=O)NCc2cccc(C#N)c2)CCCCCC1 538453529 TWAJMCUBLZNXKE-UHFFFAOYSA-N 299.418 3.718 30 20 CHED C=C(CC)CN(CCO)Cc1ccc(Cl)c(Cl)c1 539099921 OYUWKVCMODCTKM-UHFFFAOYSA-N 288.218 3.754 30 20 CHED Cc1ccc(CC(=O)Nc2cccc(C#N)c2C)cc1C 533214505 BSGAXSJXIOJTPO-UHFFFAOYSA-N 278.355 3.665 30 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AFKKBTXCXZACHH-SFHVURJKSA-N 276.383 3.720 30 20 CHED C[C@@H](CC1CCCC1)C(=O)NCc1ccc(C#N)c(F)c1 456852136 YRKWXJRKXQRLMX-LBPRGKRZSA-N 288.366 3.530 30 20 CHED C=CCCC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 270440937 XJTODNGYWMVDLH-INIZCTEOSA-N 261.340 3.668 30 20 CHED Cc1cccc(C)c1[C@H](C)OC(=O)CC(C)(C)C#N 278665485 FOGOEBUNEUHIJH-ZDUSSCGKSA-N 259.349 3.848 30 20 CHED CC[C@H](N[C@@H]1CCc2c(O)cccc21)c1ccc(C#N)cc1 278358935 BHNHSVPQDCCLRH-ZWKOTPCHSA-N 292.382 3.992 30 20 CHED Cc1cccc([C@H]2CCCCN2c2nccc(C#N)n2)c1C 450362427 RDTAGEOKIMOGQH-QGZVFWFLSA-N 292.386 3.697 30 20 CHED C=CCN(C(=O)[C@@H](C)CCc1ccccc1F)C1CC1 271602358 YQJLTFPJRTUSLL-ZDUSSCGKSA-N 275.367 3.571 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1cccc(F)c1F)OCC 270956218 WLZRMKDYDOGABS-RISCZKNCSA-N 297.345 3.513 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc2c(s1)CCCC2 453337933 ARGGGNAFWROWGK-BNOWGMLFSA-N 277.433 3.621 30 20 CHED C=CCCC(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 628406178 DGWWWSYROKUTHQ-CYBMUJFWSA-N 279.330 3.637 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)CCc1ccc(C#N)cc1 452514425 SCBSOFQLUSBGOQ-LJQANCHMSA-N 298.430 3.918 30 20 CHED N#C[C@H]1N(CCC2=CCCCC2)CCC[C@]12CCCCO2 450881424 MDCMZPKDUXXGTE-QZTJIDSGSA-N 288.435 3.804 30 20 CHED CN(Cc1ccccc1Br)[C@H]1CC[C@H](C#N)C1 278524213 CYBORFOGMAROIO-AAEUAGOBSA-N 293.208 3.573 30 20 CHED C=CCN(C(=O)NC1CCC(C(C)C)CC1)C1CC1 540127283 KIUDVWMRNWDSOO-UHFFFAOYSA-N 264.413 3.561 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 542535141 GIPGHBZXHMJJFI-ABAIWWIYSA-N 290.794 3.910 30 20 CHED CC#CCCNC(=O)c1cc(C(F)(F)F)ccc1Cl 626388367 NWPHKGOSNNJECH-UHFFFAOYSA-N 289.684 3.502 30 20 CHED CO[C@]1(C)C[C@H](Nc2c(Cl)cccc2C#N)C1(C)C 467009880 XDWFIXBRDGNHET-SWLSCSKDSA-N 278.783 3.827 30 20 CHED Cc1ccnc(N2C[C@H](c3ccccc3)C[C@H]2C)c1C#N 542277041 JBBOTHYGIHBGLG-GDBMZVCRSA-N 277.371 3.644 30 20 CHED C=CCN(C(=O)CCOc1ccc2ccccc2c1)C1CC1 544410870 DEOZAAJXIQXOSF-UHFFFAOYSA-N 295.382 3.786 30 20 CHED C[C@H]1CCN(CCCC2(C#N)CCOCC2)CC12CCC2 375621018 NLDXVYCMUWRGNT-INIZCTEOSA-N 290.451 3.599 30 20 CHED C=CCC1(C(=O)NCc2cc(OC)ccc2F)CCCC1 622191023 CFGOAZVWZKBULO-UHFFFAOYSA-N 291.366 3.587 30 20 CHED C=CCc1ccccc1OCC(=O)Nc1ccc(C)cc1F 621240407 WUZQEJBJEASAIR-UHFFFAOYSA-N 299.345 3.880 30 20 CHED CC(C)[C@H](C#N)NC(=O)CC1CCC(C(C)(C)C)CC1 463840036 NLMKQSXBSGRFLU-NRXISQOPSA-N 278.440 3.893 30 20 CHED N#Cc1cc(F)ccc1NCC1(c2ccc(F)cc2)CC1 462787844 DHESMAINNLJVNQ-UHFFFAOYSA-N 284.309 3.980 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cccc(-n2ccnn2)c1 550856219 INAMAJFLIQDQAI-AWEZNQCLSA-N 284.407 3.520 30 20 CHED C=C(C)CCc1noc(-c2ccc(NC(=O)C(C)C)cc2)n1 285211037 UAWZLGUOZRSNFP-UHFFFAOYSA-N 299.374 3.840 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1cc(C#N)ccc1[N+](=O)[O-] 466365131 UFTOINOAHJBDTG-HNNXBMFYSA-N 293.326 3.874 30 20 CHED CN(Cc1ccccc1F)c1c(Cl)cccc1C#N 462792303 UKECPDDZNQBEGO-UHFFFAOYSA-N 274.726 3.987 30 20 CHED CCCCCCCC(=O)N1CC[C@H](C2CCN(C)CC2)C1 374347727 DEILTDZIJOFDAS-KRWDZBQOSA-N 294.483 3.537 30 20 CHED C=Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 556441046 IPQASNIWNZLRQH-MRXNPFEDSA-N 296.757 3.978 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C)c(Cl)c1F 469230523 OLAGRGGHUVKXAN-LLVKDONJSA-N 281.758 3.968 30 20 CHED Cc1ccc(NC[C@H](C#N)CCC#N)cc1Br 554552120 BDNAGXIJBCXIKS-NSHDSACASA-N 292.180 3.613 30 20 CHED C=CCOCCCN1[C@@H](C)c2ccc(F)cc2C[C@H]1C 470763818 GKCMSOZJUAXUHI-KGLIPLIRSA-N 277.383 3.726 30 20 CHED CCC(=NN[C@H](C)CCc1ccc2c(c1)OCO2)C1CC1 802714363 LSFMCTZWBBEQPP-GFCCVEGCSA-N 288.391 3.502 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncccc1CCCCOC 291427247 IWHGBRMFIRHZAI-QGZVFWFLSA-N 290.407 3.592 30 20 CHED Cc1c(Cl)cnc(N2CC(C)(C)[C@H]3CCC[C@@H]32)c1C#N 555250685 GIBPODKGAYIYSQ-JSGCOSHPSA-N 289.810 3.930 30 20 CHED C#Cc1ccc(CNC[C@H]2CCCO[C@@H]2C(C)(C)C)cc1 809621055 ZMJAUKDMTZAVOF-MSOLQXFVSA-N 285.431 3.599 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(OCc3cccnc3)c2)C1 559784247 VJSSKKCIWOXXJF-RHSMWYFYSA-N 293.370 3.765 30 20 CHED C=CCCCCNC(=O)CSCc1cccc(C)c1 471676052 AYZPELDGJHBAMM-UHFFFAOYSA-N 277.433 3.701 30 20 CHED Cc1cc(OC(=O)[C@H]2CC=CCC2)c(C)c(C)c1C#N 809036075 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CFPXBQFMFAFZIW-UHFFFAOYSA-N 290.413 3.815 30 20 CHED C=CC[C@H](C)NCc1c(C)nc2scc(C3CC3)n12 298481130 PKTJJPDCEBUCRF-JTQLQIEISA-N 275.421 3.636 30 20 CHED N#Cc1ncccc1N1CCC[C@@H](c2ccccc2)CC1 566829410 OIZWMKIGHMSDMQ-MRXNPFEDSA-N 277.371 3.727 30 20 CHED CCCCO[C@@H](C)C(=O)Oc1cc(C)c(C#N)c(C)c1C 809035766 LTIFQQVFBHGZHU-AWEZNQCLSA-N 289.375 3.594 30 20 CHED CC#CCCN[C@H](C)Cc1ccc(Br)c(F)c1 482160888 BXAAZQGABTWPOI-LLVKDONJSA-N 298.199 3.522 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(F)c(CC)c1 816641833 HNPCYWRTZRFNIL-UHFFFAOYSA-N 257.255 3.538 30 20 CHED C=CCCCC[C@@H](C)NCc1ncc(CC)s1 567057969 YZDDLNGOJHRPKL-GFCCVEGCSA-N 252.427 3.930 30 20 CHED C#CCN(C)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 812003735 JOWAYSVYZROULW-OAHLLOKOSA-N 290.382 3.578 30 20 CHED c1ccc2c(c1)C(=NNC[C@H]1CCSC1)c1ccccc1-2 811660777 UYBZQZOAABAYNC-CYBMUJFWSA-N 294.423 3.762 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)c1ccc(CC)cc1 488849829 FGYLCNYLBBRMOT-PBHICJAKSA-N 271.404 3.920 30 20 CHED C#CCON=C(C)Cc1c(Cl)cccc1Cl 814936486 VDSWMPMBBOFIAS-UHFFFAOYSA-N 256.132 3.562 30 20 CHED Cc1ccnc2[nH]c(S[C@H](C)c3cccc(C#N)c3)nc12 485978256 BMEPFULBPZQIMR-LLVKDONJSA-N 294.383 3.991 30 20 CHED FC(F)(F)c1ccccc1NN=Cc1nccs1 814688990 RASCKASSZOOKLK-UHFFFAOYSA-N 271.267 3.608 30 20 CHED Cc1ccccc1C1(C(=O)O[C@@H](CC#N)c2ccco2)CC1 1344937508 RWHMDXYNYFXKNX-INIZCTEOSA-N 295.338 3.818 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCc2c(F)cccc21 563025694 ZJPJZLDNRQESEF-UHFFFAOYSA-N 261.340 3.707 30 20 CHED C=C(Br)COc1cc(F)c(Cl)cc1C=O 814783776 WQUCIQMWWNEGBM-UHFFFAOYSA-N 293.519 3.579 30 20 CHED COCC(Cc1ccccc1)=NNc1cccc(F)c1F 814859167 LUJFDLFHKJNDPI-UHFFFAOYSA-N 290.313 3.622 30 20 CHED C#C[C@H](NC(=O)C1(C)CCCC1)c1ccc(Cl)cc1 811949179 RFHCPQWZZZTNDP-AWEZNQCLSA-N 275.779 3.711 30 20 CHED COCCC1(C=NOC/C=C\Cl)CCCCC1 811672005 NQOHYOOAEUHPTM-VKAYPNMUSA-N 259.777 3.728 30 20 CHED C=CCC(F)(F)C(=O)NCc1csc2ccccc12 815032840 NJPIRFZDVYAGIH-UHFFFAOYSA-N 281.327 3.729 30 20 CHED C=CCC[C@H](CC)N[C@H](COC)c1cccc(OC)c1 658162229 CSFVUCSBWWZCOV-DOTOQJQBSA-N 277.408 3.717 30 20 CHED CO[C@@H](C)CCNc1c(C#N)cnc2c(Cl)cccc12 571043025 ZDJHOKOSRSBNGS-JTQLQIEISA-N 289.766 3.597 30 20 CHED CC[C@H](C)NN=C1CC(c2cc(F)cc(F)c2)C1 814913427 MYYRGCFNDSHGRT-FTNKSUMCSA-N 252.308 3.586 30 20 CHED C=CCCCCCCCN[C@@H]1CCN(CC)C[C@@H]1C 810243956 WBTZBKRNBJEIMC-DLBZAZTESA-N 266.473 3.833 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 484327826 XINYLOIWYMTTEW-NHYWBVRUSA-N 276.767 3.832 30 20 CHED C=CCN(C(=O)CCc1ccc(F)cc1)c1ccccc1 484218548 IXKOPGMPEFLVJE-UHFFFAOYSA-N 283.346 3.978 30 20 CHED C=CCC(F)(F)C(=O)NCC(C)(C)c1ccc(C)cc1 815381091 LQRUYIVCEYWHSQ-UHFFFAOYSA-N 281.346 3.600 30 20 CHED C[C@@H]1COCC[C@H]1CNc1cc(C#N)ccc1C(F)(F)F 573311876 UFFTZBZNKIXGLW-PWSUYJOCSA-N 298.308 3.662 30 20 CHED CC(C)(C)[C@@H](NCc1cccc(F)c1C#N)C(F)(F)F 573634651 BCASNYJHLJRBFO-GFCCVEGCSA-N 288.288 3.764 30 20 CHED C=CCCCCCCCNC(=O)N(C)CC1CCOCC1 811927184 JXMMCMHGLCILSY-UHFFFAOYSA-N 296.455 3.581 30 20 CHED C=CCN(C)C(=O)NCc1c(C)c(C)c(C)c(C)c1C 488515891 MANOSQCJUYWVPP-UHFFFAOYSA-N 274.408 3.556 30 20 CHED Fc1cc2nc(NN=Cc3ccc(Cl)o3)[nH]c2cc1F 814794573 HPOBGNSAXGGKHL-UHFFFAOYSA-N 296.664 3.534 30 20 CHED CSc1ccccc1CC(C)=NOCCOC(C)C 812240124 JEKNPQKYEJEJEG-UHFFFAOYSA-N 281.421 3.769 30 20 CHED CCCCCCCCN1C(=O)OC2(CCCC2)C1=O 810023696 FQFVKBRLVOVCAL-UHFFFAOYSA-N 267.369 3.639 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2cc(F)ccc2[C@@H]1C 653093259 HFDJANUYBPDZDQ-LBPRGKRZSA-N 290.382 3.667 30 20 CHED C=CCN(C(=O)C[C@@H](CC)c1ccccc1)C(C)C 728810517 SVNUMSZMEWURIR-OAHLLOKOSA-N 259.393 3.993 30 20 CHED C=CCC1(NCc2ccc([C@@H]3C[C@H]3C)o2)CCOCC1 657633528 XBUVFIYHXRXVTO-UKRRQHHQSA-N 275.392 3.618 30 20 CHED C=CCN(Cc1cc(OC)no1)Cc1ccc(Cl)s1 659817427 IXWOODOPKODTHM-UHFFFAOYSA-N 298.795 3.586 30 20 CHED CC#CCCCc1nc([C@H](OCC)c2ccccc2)no1 576982816 ZDJOSDYVBCIYQI-MRXNPFEDSA-N 284.359 3.542 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CC[C@H](C3CC3)C2)c1 497749631 ZFMLGUDLOOZGHN-LBPRGKRZSA-N 280.293 3.813 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cnn(-c2ccccc2)c1 666156488 WZTNJUNTWZMSBD-UHFFFAOYSA-N 298.390 3.739 30 20 CHED CC(C)=CCCNc1nc2cc(Cl)ccn2c1C#N 570302604 RZPDKGVWVWXGQK-UHFFFAOYSA-N 274.755 3.628 30 20 CHED C=CCCCN(C)c1nnc(-c2ccc(C)s2)n1CC 576236403 GKKKFAGTSUHQSR-UHFFFAOYSA-N 290.436 3.737 30 20 CHED N#CCC[C@H](C#N)CN[C@@H](CC(F)(F)F)c1ccccc1 573198978 FAHVQSPWAJJIJX-OCCSQVGLSA-N 295.308 3.713 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1cnc2ccccc2n1 820854129 ZUJUOYXVKXAQEW-MGPQQGTHSA-N 293.370 3.632 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCC(F)(F)C1 490040733 QWMHDWUQLCBFIF-NSHDSACASA-N 259.340 3.530 30 20 CHED CCCC[C@@H](C)C(=O)Nc1cc(C#N)c2ccccc2n1 589042474 BKQNYTJAZGZRAW-GFCCVEGCSA-N 281.359 3.871 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 497746244 QUGBMHGZRUQYFD-SJORKVTESA-N 284.403 3.576 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2ccc(F)cc2)CC1 826746647 HWONRAACULEAKZ-UHFFFAOYSA-N 275.367 3.744 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cncc(C)c2)cc1 588476206 HJUKTOIPMPBBMI-TWGQIWQCSA-N 267.328 3.685 30 20 CHED Cc1nc(/C=C2\C(=O)c3ccsc3S[C@H]2C)[nH]c1C 901477998 RIIULKIRNWGKNE-ISAHRAOESA-N 290.413 3.849 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@]23CCC[C@H]2C3)c1 665956481 RJTVBHGOFOBUMX-GUYCJALGSA-N 286.375 3.706 30 20 CHED Cc1cccc(/C=C2/Cc3cc(O)ccc3C2=O)c1 588535257 YWYKVUUFAGHCDX-ZSOIEALJSA-N 250.297 3.523 30 20 CHED Cc1ncc(Br)n1CCCCC1(C#N)CCC1 901584960 AXDAPBVAQFGMSR-UHFFFAOYSA-N 296.212 3.818 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 491774304 CJVWYOHUOPYVEN-VHSXEESVSA-N 284.186 3.577 30 20 CHED Cc1cc(C)c(C(=O)CSc2ccc(C#N)cn2)cc1C 495268537 YAKCJFVYIQZZJS-UHFFFAOYSA-N 296.395 3.854 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cc2occc2s1 736072579 MYKICTZCJLBKKL-UHFFFAOYSA-N 276.361 3.506 30 20 CHED CCn1ccnc1SCCCCC1(C#N)CCC1 901447133 JZSHFYKBKFHANI-UHFFFAOYSA-N 263.410 3.859 30 20 CHED CC1CCC(=CC(=O)OCc2ccc(C#N)cc2F)CC1 734203756 YPJZYNHXTCIIKC-UHFFFAOYSA-N 287.334 3.877 30 20 CHED CC(C)(C)c1ncsc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839449069 LDLBULNAEMJCAV-WDEREUQCSA-N 292.404 3.680 30 20 CHED C=CCC1(NC(=O)c2cc(C3CC3)no2)CCCCC1 582470565 QECJXDWZABIPLN-UHFFFAOYSA-N 274.364 3.561 30 20 CHED CC[C@H](Nc1cnn(CC2CC2)c1)c1cccc(C#N)c1 902921462 VKZRGPQLKOTDEV-KRWDZBQOSA-N 280.375 3.728 30 20 CHED Cc1ccc(C(=O)/C=C\c2cncn2C(C)C)cc1C 901418124 YKWDAFPRUAXHPV-FPLPWBNLSA-N 268.360 3.977 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccsc1 589349758 ZZLNMIHMZSDRCU-SECBINFHSA-N 289.335 3.642 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2coc3ccccc23)C1 839061199 BOVFUNLOJCHCLP-OCCSQVGLSA-N 283.327 3.601 30 20 CHED C#CCC[C@H](C)OC(=O)Cc1cccc(C(F)(F)F)c1 839032425 OWMVOJMCYMOREZ-NSHDSACASA-N 284.277 3.593 30 20 CHED CCCOc1cccc(C=NNc2ccc(C#N)cc2)c1 917548903 UAJIHGMCMHDAIH-UHFFFAOYSA-N 279.343 3.793 30 20 CHED CN(CCC(C)(C)C)C(=O)Nc1ccc(C#N)c(F)c1 592256811 OSTRNYITXOBEPN-UHFFFAOYSA-N 277.343 3.597 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C[C@H]2CCc3ccccc32)C1 839050440 LNDXYVPYJUVPAZ-BMFZPTHFSA-N 283.371 3.732 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN([C@@H](C)CCC#N)CC3 591017578 HKTBCUMLCXOLRT-ZDUSSCGKSA-N 267.376 3.527 30 20 CHED C[C@@H]1CC(=NNc2ccc(C#N)cc2)c2c(O)ccc(F)c21 915961928 KSIROZOXIAYUJJ-SNVBAGLBSA-N 295.317 3.726 30 20 CHED CC[C@H](C#N)C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 593480076 BDUKZJPJGQISBA-GOEBONIOSA-N 284.403 3.926 30 20 CHED C=CCOC(=O)c1cn(CC(C)C)c2ccccc12 917314749 PYRFTLOSCOEWEZ-UHFFFAOYSA-N 257.333 3.640 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)NCCCCCC 743200121 VPEOURARVLJSHM-UHFFFAOYSA-N 292.354 3.540 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cnc(C)s2)cc1 671764806 ZGSYHGYFUMHPJB-LBPRGKRZSA-N 288.416 3.867 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C\c1cc(OC)ccc1O 749930738 MWCQHCQZGHDXGG-LYHXMBKSSA-N 293.432 3.884 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1coc2ccc(Cl)cc12 593113394 ZRNOWPLAVLDNRT-NSHDSACASA-N 290.750 3.754 30 20 CHED Cc1c(NN=C2CCC(F)(F)CC2)cccc1C(=O)O 844622366 CMQUFSVDZNAXJR-UHFFFAOYSA-N 282.290 3.670 30 20 CHED C/C=C(\C)COC(=O)C[C@@H](CC#N)c1ccccc1 842845991 MJGHKHFYNUASNZ-JMFZVXOESA-N 257.333 3.583 30 20 CHED C=CCCSCCNCc1nccc2ccccc12 594959968 GWPCJBFKFWSSOV-UHFFFAOYSA-N 272.417 3.634 30 20 CHED Oc1c(F)cc(C=NNc2ccccc2Cl)cc1F 749853621 QRSZKDKEXJAPQA-UHFFFAOYSA-N 282.677 3.770 30 20 CHED CC(C)CCCOC(=O)/C=C/c1ccccc1C#N 918496114 SAADFPUBDRYEMK-MDZDMXLPSA-N 257.333 3.551 30 20 CHED CCOc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1O 743495750 IUWJIRKLCHSTLA-CYBMUJFWSA-N 296.370 3.513 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)Cc2ccc(F)cc21 749005499 KQOYXSNMGYQCNB-WZUFQYTHSA-N 274.241 3.926 30 20 CHED CC(C)CC[C@@H]1CCCCN1C[C@H](O)CC(C)(C)C#N 598597720 GPEMDAXQXIWFCC-JKSUJKDBSA-N 280.456 3.578 30 20 CHED C#CCCCOC(=O)[C@H](CC(C)C)c1ccccc1 741111832 BHBBXZCXNMBKMW-MRXNPFEDSA-N 258.361 3.773 30 20 CHED C=C(C)CON=C(C)c1ccc(SC)c(OC)c1 844617170 JTDXTIFTBUQZKR-UHFFFAOYSA-N 265.378 3.734 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCCC1(F)F)c1cccc(C#N)c1 590672843 BWOAKEQKIFCGKY-FZMZJTMJSA-N 292.329 3.561 30 20 CHED CC#CCOC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 744994380 KNKIGDUDBZXHHR-IRXDYDNUSA-N 264.324 3.510 30 20 CHED C=CCN(C(=O)CCc1ccc(OC)c(Cl)c1)C(C)C 915153755 VZVZWUIKTNVJJI-UHFFFAOYSA-N 295.810 3.704 30 20 CHED CCCC[C@H](C(=O)NCCc1ccc(C#N)cc1)C(C)C 598744247 BVQQSEDGAFXZTR-KRWDZBQOSA-N 286.419 3.679 30 20 CHED C=CCCCC(=O)OCc1ccc(SC)c(OC)c1 748225793 KQRLPEZZIBJWDD-UHFFFAOYSA-N 280.389 3.817 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)CCCCCC#N 590771183 UUUHXXQOYCVONV-INIZCTEOSA-N 264.413 3.888 30 20 CHED C=C[C@@H]1CCCCN1c1ccc2cc(OC)ccc2n1 683757818 QUCQBTQFPSNTHL-CQSZACIVSA-N 268.360 3.788 30 20 CHED C[C@H](NC(=O)/C=C\c1cccs1)c1cccc(C#N)c1 743779638 ZRHNLIAUWKAYGY-KRZKBDHCSA-N 282.368 3.510 30 20 CHED CC(C)(C#N)CC(=O)Oc1cccc2sccc12 847120424 ULYZPVUWXIOHQS-UHFFFAOYSA-N 259.330 3.747 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC)Cc1cccs1 929392846 QVNOJERBMZFCMP-LBPRGKRZSA-N 251.395 3.699 30 20 CHED C#CCCCCCC(=O)N(C)c1ccc(C)cc1F 841327537 IUTGLSTVIOFHIE-UHFFFAOYSA-N 261.340 3.681 30 20 CHED C[C@@H](CC#N)OC(=O)CCc1c(Cl)cccc1Cl 847647213 INKGBJINKWFDSO-VIFPVBQESA-N 286.158 3.771 30 20 CHED C#CCC1(C(=O)Nc2nc(C(C)(C)C)co2)CCCCC1 847101460 DPLXTJSDZGEHBN-UHFFFAOYSA-N 288.391 3.884 30 20 CHED CCCCCCCOC(=O)C[C@H](O)c1cccc(F)c1 756253682 DUSPGHFEHWBBRD-HNNXBMFYSA-N 282.355 3.763 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 753111414 FTBPMODOCODBBH-KOLCDFICSA-N 299.201 3.765 30 20 CHED Cn1c(NN=Cc2ccccc2C2CC2)nc2ccccc21 751130080 BUXATIGIOVVXIN-UHFFFAOYSA-N 290.370 3.897 30 20 CHED CC(C)=C1CC[C@@H](C)C[C@H]1NCc1ccc(C#N)cn1 926227643 GCUGLFOIHZRELB-CXAGYDPISA-N 269.392 3.568 30 20 CHED Cc1ccc(CCC(=O)O[C@H](C)CC(C)(C)C#N)s1 851204403 QMMHACPNEFLWPU-LLVKDONJSA-N 279.405 3.861 30 20 CHED CS[C@@H](CN[C@@H](C)CC(C)(C)C#N)C(C)(C)C 926135477 GTRXUBLVMPGCPR-RYUDHWBXSA-N 256.459 3.682 30 20 CHED COc1cccc(/C=N/[C@H](C)Cc2ccccc2F)c1O 920174136 YMCUKNAAHHELDV-ZGXHQARYSA-N 287.334 3.590 30 20 CHED C=CC[C@@H]1CCCCC1=NN[C@H]1CCOC(C)(C)C1 853336318 VOEDCLCEKDVNMQ-KGLIPLIRSA-N 264.413 3.656 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C/c1ccccc1F 759609317 HATMQIFFQCNCLL-JXMROGBWSA-N 287.309 3.927 30 20 CHED CCC1(CC)C(=NNc2ccc(OC)cc2)C[C@H]1OC 750946549 SWMGDRCDVJRHJX-OAHLLOKOSA-N 276.380 3.688 30 20 CHED C#CC[C@H](NC(=O)N1CCC(CC)(CC)C1)c1ccccc1 757066260 ZTPPYJMKDYATPJ-KRWDZBQOSA-N 298.430 3.973 30 20 CHED Cc1nn(-c2ccccc2)c(Cl)c1Cn1ccc(C#N)c1 755822976 PXQYUJQQSKMHLQ-UHFFFAOYSA-N 296.761 3.556 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1ccccc1O 757474057 ILMLXCLBYAXHPC-KTKRTIGZSA-N 275.307 3.837 30 20 CHED COC1(C(C)=NNc2ncnc(Cl)c2C(C)C)CCC1 853342876 PUDZCDJDZODVOU-UHFFFAOYSA-N 296.802 3.610 30 20 CHED CC(C)(CC/N=C\c1cccc(O)c1O)c1ccccc1 920177313 GBKLLIGJRTWXIT-UYRXBGFRSA-N 283.371 3.885 30 20 CHED CC[C@H](CC(F)(F)F)N[C@H](C)CC(C)(C)C#N 926169984 ACBSUFKEQMGBOI-NXEZZACHSA-N 250.308 3.635 30 20 CHED C=C(Cl)COC(=O)CCCSC(C)(C)C 754278329 HGXOUCQZQPHXIB-UHFFFAOYSA-N 250.791 3.594 30 20 CHED C=C1CCN(C(=O)Nc2ccnn2[C@H](C)CC(C)C)CC1 930806499 UYIBURLFIZCYQQ-CQSZACIVSA-N 290.411 3.674 30 20 CHED C#CCOc1ccc([C@@H](C)NCCc2cccs2)cc1 764583523 AOQQWCQKLCMGEM-CQSZACIVSA-N 285.412 3.653 30 20 CHED C#CCCCN(C1CC1)[C@H]1CCCc2ccccc21 766912570 FHIYFQUKWLSEHG-SFHVURJKSA-N 253.389 3.942 30 20 CHED C#CCCCN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 766726451 VMINIOFCILHZDS-IBGZPJMESA-N 297.373 3.927 30 20 CHED CCOc1cccc(C=NNc2ccc(Cl)cc2)n1 763104234 JTOCOHHLUBADEI-UHFFFAOYSA-N 275.739 3.580 30 20 CHED N#C[C@@H](CCc1ccccc1)Sc1nccn1C1CC1 865350846 QNHWMIMIEFKIJO-OAHLLOKOSA-N 283.400 3.835 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1scnc1Cl 768606422 IWLZOONWQMOWID-UHFFFAOYSA-N 286.784 3.673 30 20 CHED Fc1ccccc1CCNN=Cc1ccnc2ccccc12 764722771 LPELURAPRKQNMT-UHFFFAOYSA-N 293.345 3.540 30 20 CHED Cc1cc(Cl)ccc1C=NN1Cc2ccccc2C1=O 767384697 AJCBOXXQSZPABT-UHFFFAOYSA-N 284.746 3.638 30 20 CHED C[C@@H](C#N)CNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1116036601 DWWPYFPTEFMEQB-VIFPVBQESA-N 299.201 3.547 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCO[C@@H](C(C)C)C1 933341943 VLDOLKXDRIISIZ-HZPDHXFCSA-N 281.440 3.642 30 20 CHED N#CCCCC(=O)Nc1cccc(SC(F)(F)F)c1 863617841 HSDDQFXDOLUQCZ-UHFFFAOYSA-N 288.294 3.931 30 20 CHED CCC[C@@H](C)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 768337091 ALVSCVJYRZNBCJ-KGLIPLIRSA-N 260.381 3.598 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N=C2C[C@H](C)ON2)cc1 765371353 DKAMQZMEBWJLKS-OLZOCXBDSA-N 288.391 3.542 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc(C#N)c(C)c1 766491303 NZGFNVNEPQPQOT-XQRVVYSFSA-N 283.352 3.833 30 20 CHED CCc1cnccc1C(C)=NNc1cccc(F)c1 765572091 MOYRPHNTVYNOLF-UHFFFAOYSA-N 257.312 3.619 30 20 CHED Cc1nc(CC(=O)OCCCCC(C)(C)C#N)c(C)s1 768779334 QMLUDASYBGYVQU-UHFFFAOYSA-N 294.420 3.566 30 20 CHED C#CCCN1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 760846463 GYMNAXBRNOSEBI-HXUWFJFHSA-N 291.394 3.818 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 863634059 GCQWNUUEVVGTRB-CYBMUJFWSA-N 263.768 3.656 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)c2ccc(C)cc2)c1 1116266932 VVXCQYWEFYBZTQ-DHZHZOJOSA-N 280.323 3.678 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)ncn3C)cc1 761196898 OAFGMQPKXCEDEY-UXBLZVDNSA-N 276.339 3.778 30 20 CHED CCCOC(=O)c1cn(CCCC#N)c2ccccc12 769541537 BEZVKCWMTGHPHW-UHFFFAOYSA-N 270.332 3.512 30 20 CHED C/C=C(/C=C\C(=O)N(CCC#N)CCC(C)C)CC 765417226 PALAYQLXEVONAU-ISAYEIQKSA-N 262.397 3.687 30 20 CHED C[C@@H](C=NNc1ccc(Cl)cc1[N+](=O)[O-])CCC#N 766010065 JUQGDLBGAJSOFV-SECBINFHSA-N 280.715 3.586 30 20 CHED CCCCCCC[C@H](C)CNCc1cc(C)[nH]n1 1116017645 SQBJNWRLHFCBER-ZDUSSCGKSA-N 251.418 3.804 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCC 779963867 NXOFEFIHSOYXFH-CVEARBPZSA-N 263.425 3.997 30 20 CHED C#CCSCCN[C@H](C)c1ccc(-c2ccccc2)o1 773011883 YFUUFMNZGJOPKS-CQSZACIVSA-N 285.412 3.964 30 20 CHED Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)c(F)c1F 870470940 URZMSGYDHQZZQB-SNVBAGLBSA-N 281.302 3.758 30 20 CHED CCO[C@@H]1CC(=NNc2cc(Cl)ccn2)C12CCCC2 777905403 FZXGBHDAFXFRFZ-CYBMUJFWSA-N 293.798 3.872 30 20 CHED CC(=NN[C@H]1CCCOC1)c1cc(Cl)sc1Cl 780256780 CFCCXFVZGGPNDJ-QMMMGPOBSA-N 293.219 3.548 30 20 CHED C=CC[C@H](C(=O)OCc1cnoc1C1CC1)c1ccccc1 778426897 JJFGBXIHQQYVTK-INIZCTEOSA-N 297.354 3.955 30 20 CHED Clc1ccnc(NN=C2CCCNc3ccccc32)c1 774399055 JQJWYPQBUYIYOF-UHFFFAOYSA-N 286.766 3.757 30 20 CHED C[C@H](OC(=O)c1c[nH]c(C#N)c1)c1ccc2ccccc2c1 779199076 VFEORFGFQOQBPM-LBPRGKRZSA-N 290.322 3.958 30 20 CHED CSCC(=NOCCC(F)(F)F)c1ccccc1 777455601 KEMZWMMZWXFNHE-UHFFFAOYSA-N 277.311 3.723 30 20 CHED C#C[C@H](N[C@H](CC)c1ccc(Cl)s1)[C@H]1CCCO1 775572969 VQFAWYCYNVNUCK-QJPTWQEYSA-N 283.824 3.623 30 20 CHED CC(C)(C)Oc1ccc(C/N=C\c2ccccc2O)cn1 778518920 TZIDQCOXKBSQHS-PDGQHHTCSA-N 284.359 3.584 30 20 CHED C=C(CC)C(=O)Nc1cc(C(F)(F)F)ccc1F 1123645647 RBFHULGCYWYHKA-UHFFFAOYSA-N 261.218 3.749 30 20 CHED C=C(Cl)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 779461399 ZUXIRXJCSNDJAV-UHFFFAOYSA-N 293.794 3.912 30 20 CHED C(CCc1ccc2c(c1)CCO2)=NNc1ccccc1 774308813 CCZLOCZTVNCGHZ-UHFFFAOYSA-N 266.344 3.652 30 20 CHED Cc1cc(C)c(CC(=O)N(CCC#N)CC(C)C)c(C)c1 773290193 MTFDQHDLWGULDP-UHFFFAOYSA-N 286.419 3.553 30 20 CHED N#Cc1ccccc1SCc1ccc2c(c1)COC2 777933293 MMOLNJPYCLKCJZ-UHFFFAOYSA-N 267.353 3.881 30 20 CHED CC#CCCNc1nc(-c2cccnc2)nc2ccccc12 779429589 RBWNRJBXRCGFEF-UHFFFAOYSA-N 288.354 3.517 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1ccccc1C1CC1 779815588 CIAIQEUZGPCBGI-UHFFFAOYSA-N 276.343 3.886 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cc(F)ccc2Cl)c1 1129602992 KEYJJFRLBXWXPA-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3nc(C)ccc3o2)c1 1129809641 RSZQERDZYRYTLV-UHFFFAOYSA-N 291.310 3.569 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(F)c(Cl)c2)cc1 787568483 SNLHJHGSTPFCQX-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1ccc(Cl)cn1 781607599 LIVWPDUETIXGMX-NSHDSACASA-N 265.740 3.533 30 20 CHED CC(C)c1ccc2c(Cl)c(C(=O)NO)sc2c1 782172178 UZFMXUJJJKLDMV-UHFFFAOYSA-N 269.753 3.797 30 20 CHED Cc1ccc(C(=O)/C=C\c2scnc2C2CC2)o1 782323789 RHYJQYZOYIPQEA-ALCCZGGFSA-N 259.330 3.818 30 20 CHED COCCC1(C=NNc2ccc(Cl)nn2)CCCCC1 780187407 DTJDSTYVFSKJBQ-UHFFFAOYSA-N 296.802 3.515 30 20 CHED N#CCCSc1cccc(C(F)(F)F)c1[N+](=O)[O-] 884529525 QCAUABDMYYAOIE-UHFFFAOYSA-N 276.239 3.619 30 20 CHED C[C@@H](CN(C)Cc1ccc(C#N)cc1)c1ccccc1 66854646 SEBOPURFOYMWHN-HNNXBMFYSA-N 264.372 3.794 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(Cl)c(OC)c2)C1(C)C 788472282 REOYQNONHPAKFT-CQSZACIVSA-N 296.798 3.952 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 889608006 BXYIFFAYTHHHOF-INIZCTEOSA-N 291.435 3.731 30 20 CHED C#CCC1(C(=O)N(C)Cc2ccccc2)CCCCC1 788145194 OVRCCQUYXFXYTF-UHFFFAOYSA-N 269.388 3.619 30 20 CHED C=C(C)CCC(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 1120648505 NLTCDAHZQKMYQV-CQSZACIVSA-N 291.391 3.627 30 20 CHED CCCCCCCCNc1cccc(C(N)=O)c1OC 782220228 ZWNPXCVBKJUYGW-UHFFFAOYSA-N 278.396 3.567 30 20 CHED COc1cccc(NN=Cc2cc(Cl)cs2)c1 782180552 ZIOXEPVOLYRJEE-UHFFFAOYSA-N 266.753 3.856 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1c(C)nc2ccc(Cl)cn12 786645761 XMANSQYZKSBVQK-HNNXBMFYSA-N 291.782 3.837 30 20 CHED CC(C)CN(CCC#N)CCCc1ccsc1 782931402 JIRGTYDEAUHGHZ-UHFFFAOYSA-N 250.411 3.552 30 20 CHED Cc1nc(C#N)c(NN=C2CC[C@@](C)(c3ccccc3)C2)o1 780212821 LIMYUGPVOJUXGT-QGZVFWFLSA-N 294.358 3.764 30 20 CHED C/C(C=NOCc1cccnc1)=C/c1cccc([N+](=O)[O-])c1 787163601 SQIYNMIOKORWCR-FZIFABCSSA-N 297.314 3.596 30 20 CHED C=C[C@H](Nc1ccc(OCC(C)C)c(Cl)c1)C(=O)OC 799976906 PKBCTRLQOPHIRN-ZDUSSCGKSA-N 297.782 3.514 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1cnn(C(C)C)c1C 899367939 CFBKQLMAMNYCFA-BQYQJAHWSA-N 287.363 3.527 30 20 CHED N#Cc1c(F)cccc1OCCCc1ccccc1 93406808 BPOSBFLWBLWICV-UHFFFAOYSA-N 255.292 3.709 30 20 CHED COCCC1(C=NNc2ncccc2C)CCCCC1 790185064 FMEOBIXYLKXSEV-UHFFFAOYSA-N 275.396 3.775 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1cccc(Cl)c1 796891091 RBDXLIDOFGFKPL-IINYFYTJSA-N 265.740 3.884 30 20 CHED CCCNc1ccccc1NC(=O)c1ccc(C)c(C#N)c1 799719726 VYFZTBVOANTQQD-UHFFFAOYSA-N 293.370 3.941 30 20 CHED CSCCON=Cc1csc(-c2cccs2)n1 794572374 GKKAAPASTVPLGA-UHFFFAOYSA-N 284.431 3.585 30 20 CHED COc1cccc(CN(C)c2ccc(C#N)c(Cl)c2)c1 61850957 XEOGICFNKAWHMX-UHFFFAOYSA-N 286.762 3.857 30 20 CHED C#C[C@@H](CCC)NC(=O)C(C)(C)c1cccc(Cl)c1 791750483 NUWRTKQIULPWHU-AWEZNQCLSA-N 277.795 3.536 30 20 CHED CC(=NNc1ccc(C(F)(F)F)nn1)c1cc(C)c(C)o1 799885525 YISUNUCFRSJMRC-UHFFFAOYSA-N 298.268 3.541 30 20 CHED COCCCON=C1C[C@@H](C)C[C@H](c2ccccc2)C1 795050491 DQIWUGIMYDUKLN-HOCLYGCPSA-N 275.392 3.999 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(C)C 799042763 OCSFDUAOFAJZBU-QRVBRYPASA-N 291.394 3.717 30 20 CHED N#Cc1cccc(NN=Cc2ccc3occc3c2)c1 794885799 AHGFLSAWNUJLES-UHFFFAOYSA-N 261.284 3.750 30 20 CHED CC(C)CN1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 68428809 KCDOVDURFFOXLF-UHFFFAOYSA-N 291.826 3.744 30 20 CHED N#Cc1cc(C(=O)O[C@H]2CCc3ccc(F)cc32)ccc1F 790814644 JQTKZIOVKGYBHZ-INIZCTEOSA-N 299.276 3.681 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2csc(Cl)c2)c1 720312559 MRZKAKYUNSAESV-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)C2(C#N)CCCC2)CC1 71202710 XZVDSRTUAAGFIP-CQSZACIVSA-N 276.424 3.745 30 20 CHED Cc1cc(CN[C@@H](C)Cc2ccsc2)ccc1C#N 583063551 UGASBTYLONYPOL-ZDUSSCGKSA-N 270.401 3.649 30 20 CHED CCCCCCCCN1CCS[C@H]2COCC[C@@H]21 767912078 MKEYBLWGMDPWEF-GJZGRUSLSA-N 271.470 3.553 30 20 CHED N#CC1(CNc2cc(-c3cccc(Cl)c3)ncn2)CCC1 1154996839 JQMXJSTVLOLZGQ-UHFFFAOYSA-N 298.777 3.903 30 20 CHED CCC(CC)N(CCc1ccc(C#N)cc1)C1CC1 1167279556 MQOSHWAEKMNRLU-UHFFFAOYSA-N 256.393 3.754 30 20 CHED CC[C@@H](Nc1cc(C#N)cnn1)c1ccc(Cl)cc1 1162068580 YJMCWRVRBDPWOF-CYBMUJFWSA-N 272.739 3.565 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1319942356 JHDBDYZWUYZGPN-ARFHVFGLSA-N 278.440 3.953 30 20 CHED C=C[C@H](COC)NCc1cccc(-c2ccccc2C)c1 1320293782 AWQFUBPBJLTSAC-GOSISDBHSA-N 281.399 3.953 30 20 CHED N#CC1(c2ccccc2)CC(NCCCc2cccs2)C1 1320550571 ZMBDQAOLWCFIHQ-UHFFFAOYSA-N 296.439 3.894 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(OC(C)C)c(Cl)c1 1321758965 RQADBXIDTVXPDA-JSGCOSHPSA-N 297.826 3.979 30 20 CHED C=C[C@H](COC)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 1325620115 PMCJQOXWPQXOCQ-DZJNRPSUSA-N 273.420 3.749 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1185306202 PYYVSGPIKRIGAW-DOMZBBRYSA-N 294.358 3.741 30 20 CHED C=C(C)CCC(=O)O[C@@H](C)c1nc2ccccc2n1C 1262778157 LWEUCQLNNUYNQW-LBPRGKRZSA-N 272.348 3.534 30 20 CHED Cc1ccccc1C1(C(=O)O[C@H](CC#N)c2ccco2)CC1 1344937509 RWHMDXYNYFXKNX-MRXNPFEDSA-N 295.338 3.818 30 20 CHED C=C(CC)C(=O)N(C)[C@@H](CC)c1ccccc1OC 1348644362 ZAHPEOOPAUHFRR-AWEZNQCLSA-N 261.365 3.571 30 20 CHED CCCCCCCC(=O)N(C)c1cccc(C#N)c1 103820244 KXPDFEFBBFIEDH-UHFFFAOYSA-N 258.365 3.882 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@H](C)CCC[C@H]1C 1360392828 VPMARWLBDNKIHG-TZMCWYRMSA-N 270.376 3.517 30 20 CHED C=C(CC)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1519234112 PKZMGONODOZCGG-UHFFFAOYSA-N 270.376 3.509 30 20 CHED CC[C@H](C(=O)N(C)c1ccc(C#N)cc1)c1ccc(F)cc1 1360939010 CGKCFIXAYBZMJL-KRWDZBQOSA-N 296.345 3.854 30 20 CHED C#CCSCCN[C@H](C)c1oc2ccccc2c1C 222112103 IHVBKUSNOJGPDI-CYBMUJFWSA-N 273.401 3.758 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)c1ccccc1 1525260348 LEABVPYTDUWEOZ-UHFFFAOYSA-N 272.307 3.964 30 20 CHED CCCC1(CNc2ccc(Cl)c(C#N)n2)CCC1 1472730007 ZUNUKNMTTQAWLD-UHFFFAOYSA-N 263.772 3.989 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@@H]1Nc1ccnc(C#N)n1 1472752390 KCCPPQYSKWFCIG-KBXCAEBGSA-N 292.386 3.720 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)Nc1sccc1C#N 1476828300 JYXOTNRHEPCGFD-AWEZNQCLSA-N 299.399 3.763 30 20 CHED C[C@H](CCC#N)Sc1nc(O)c2ccc(Cl)cc2n1 1472990769 PMNWJPZXXWNUSD-MRVPVSSYSA-N 293.779 3.773 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H]1CCCC[C@H]1C 130441705 RVCCQGRJUGFOMU-CZUORRHYSA-N 272.392 3.577 30 20 CHED COc1ccc(CNc2ccc(C(C)C)nc2)cc1C#N 1474277061 WSHDQCHVVVHKKY-UHFFFAOYSA-N 281.359 3.697 30 20 CHED C[C@H](NC(=O)c1ccsc1C#N)c1cccc(C2CC2)c1 1544504171 ROJNWQQDRRPQRR-NSHDSACASA-N 296.395 3.988 30 20 CHED CCN(Cc1ccc(C#N)cc1F)c1ccccc1 19804755 ILAHLKKPVLCSDV-UHFFFAOYSA-N 254.308 3.724 30 20 CHED CCC1(CC)CCCN(c2cc(C)c(C#N)cn2)C1 1559236451 JEHXRIYTLPESCS-UHFFFAOYSA-N 257.381 3.668 30 20 CHED COc1ccc(C)cc1[C@H](C)NCC(C)(C)CCC#N 229677762 HFAXCSXWFFSMOI-AWEZNQCLSA-N 274.408 3.984 30 20 CHED C=C(C)CCC(=O)N(c1cccc(-c2cnn[nH]2)c1)C(C)C 1575050046 VPOJTFPNEMVMIQ-UHFFFAOYSA-N 298.390 3.569 30 20 CHED Cc1ccnc(SCCc2ccc(C#N)cc2)c1 1656863693 FVIPWWRLGYYEGK-UHFFFAOYSA-N 254.358 3.597 30 20 CHED CSc1cc(C)ccc1NC(=O)c1sccc1C#N 1585223827 YYWLCZBJOJRLQA-UHFFFAOYSA-N 288.397 3.902 30 20 CHED CC[C@@H](CC(F)(F)F)NC(=O)[C@H](CC#N)c1ccccc1 1584390397 XPTBDIUKGDEUAU-QWHCGFSZSA-N 298.308 3.531 30 20 CHED C=CCCC[C@H](NC(=O)[C@@H](CC)CC1CCCC1)C(=O)O 1588787042 SVFLNPYPGSOYEA-GJZGRUSLSA-N 295.423 3.519 30 20 CHED C[C@@H](CC(=O)NCCc1ccc(C#N)cc1)C1CCCCC1 1587233170 DEHPUDHMSOKKME-HNNXBMFYSA-N 298.430 3.823 30 20 CHED C=C[C@H](C(=O)O)N1CC=C(c2cccc3ccccc23)CC1 1588663315 DVRHYPJLYNVHCM-GOSISDBHSA-N 293.366 3.568 30 20 CHED CC(C)(C)C[C@H]1CCN(Cc2cccc(F)c2C#N)C1 1660045822 NDPLOZGYUJDWMC-CYBMUJFWSA-N 274.383 3.955 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@H](OC)[C@H](C)CC 1663915804 CHIAYMSYCIVOQQ-QAPCUYQASA-N 288.435 3.831 30 20 CHED Cc1cc(C)c(/C=C/CN(C)C[C@H](C)C#N)c(C)c1 1663928894 BPKKYURGHYMCSP-PSKZRQQASA-N 256.393 3.717 30 20 CHED Cc1cc(C(C)(C)C)ccc1Oc1nccc(C#N)n1 231908475 VZKHBJHCTAZYDW-UHFFFAOYSA-N 267.332 3.747 30 20 CHED Cc1cccc2[nH]c(C=NNc3ccc(C(=O)O)cc3)cc12 1776012247 LCFNNKMBNZUHNV-UHFFFAOYSA-N 293.326 3.621 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCCc3ccccc32)c1 5754186 IAYQGXMDGFFLGJ-UHFFFAOYSA-N 281.315 3.747 30 20 CHED N#Cc1ccc(COC(=O)c2cc3ccccc3[nH]2)c(F)c1 11831289 DIDPIFIEZXCUPG-UHFFFAOYSA-N 294.285 3.536 30 20 CHED Cc1ccc(SCC(=O)Oc2ccc(C#N)cc2)cc1 14469064 GJHDLSBNNGLOEO-UHFFFAOYSA-N 283.352 3.564 30 20 CHED CC/C(=C/C(=O)N[C@@](C)(C#N)CC)c1ccc(C)cc1 162709744 OFDMUBLLESOBTP-VWILAXROSA-N 270.376 3.597 30 20 CHED N#CCC[C@H](NC(=O)c1cccc(Cl)n1)c1ccccc1 153608098 FVMVURCBVDLUDF-ZDUSSCGKSA-N 299.761 3.510 30 20 CHED C[C@H]1CSC(SCCCOc2ccc(C#N)cc2)=N1 155425316 UBLHGHUTNLVAHJ-NSHDSACASA-N 292.429 3.552 30 20 CHED N#Cc1csc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)c1 157379451 FXHSVXPXARLULE-WBVHZDCISA-N 298.411 3.630 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H](c1ccccc1)C(C)C 154957625 GFBKAQNJIJZJFB-QGZVFWFLSA-N 286.419 3.829 30 20 CHED Cc1ccccc1NC(=O)Nc1cccc(CC#N)c1 1202184552 AUZUGZXXFFENJE-UHFFFAOYSA-N 265.316 3.705 30 20 CHED COc1cc(CNc2ccc(C)cc2C)ccc1C#N 234903623 LSSQUZKGULXSFD-UHFFFAOYSA-N 266.344 3.796 30 20 CHED Cc1cc(Oc2nnc(C)c(C)c2C#N)ccc1Cl 24052885 OGKWZBDVBDYVAA-UHFFFAOYSA-N 273.723 3.719 30 20 CHED C[C@@H](NC[C@@H]1CCCCS1)c1ccc(OCC#N)cc1 156376606 FLRRAYKTNLNFOU-CJNGLKHVSA-N 290.432 3.525 30 20 CHED C[C@H](N[C@@H](C)c1ccccc1O)c1ccc(C#N)cc1 36991927 SQUYPRBQLXODON-STQMWFEESA-N 266.344 3.676 30 20 CHED N#Cc1ccc(CN2CCc3ccccc3C2)c(Cl)c1 162858508 RJVFQBJOTFBGTB-UHFFFAOYSA-N 282.774 3.770 30 20 CHED Cc1nnc(Nc2ccc(C(C)C)cc2)c(C#N)c1C 40217297 IXHJEXQCAJQBIQ-UHFFFAOYSA-N 266.348 3.832 30 20 CHED N#Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 62790951 NVPAUYRFLFKQJL-UHFFFAOYSA-N 287.706 3.732 30 20 CHED Cc1cc(C#N)cc(N[C@@H](C)CCc2ccco2)c1 308110512 VCSQEAAUMJNCEJ-ZDUSSCGKSA-N 254.333 3.893 30 20 CHED CCC[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 404186569 FAOZRIMFPVPTSL-HNNXBMFYSA-N 260.356 3.852 30 20 CHED C=C(C)CN(CC)C[C@@H]1CCC2(CCCCC2)O1 409445454 INADJTKNOBXXJJ-HNNXBMFYSA-N 251.414 3.766 30 20 CHED CSC[C@H]1CCCN(CCCCC(C)(C)C#N)C1 385646763 ACUAZOQZBYOZBT-AWEZNQCLSA-N 268.470 3.781 30 20 CHED Cc1cc(F)ccc1CN1CCC(CCC#N)CC1 399391141 KGFPSSWLIXCYMS-UHFFFAOYSA-N 260.356 3.650 30 20 CHED N#CCCC1CCN(CCc2ccc(Cl)cc2)CC1 399448088 KNJTWRWVBYUNAU-UHFFFAOYSA-N 276.811 3.898 30 20 CHED C=CCOC(=O)c1ccc(Cl)cc1C(F)(F)F 770499242 CPLVYLFJQIQAMJ-UHFFFAOYSA-N 264.630 3.702 30 20 CHED Cc1ccc(NC(=O)c2sccc2C#N)cc1Cl 52027787 KTMWNPRXDAMNML-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CC1CCN(Cc2cccc3cccnc23)CC1 111257062 IGNKVGFGEIGMHR-UHFFFAOYSA-N 252.361 3.633 30 20 CHED C=C(C)CCOC(=O)c1cc(C)nc2onc(C(C)C)c12 174804380 UTLXSXOQHYHHBZ-UHFFFAOYSA-N 288.347 3.778 30 20 CHED Cc1cc(CNCC2(C#N)CCC2)ccc1Br 418144505 UGMNKRONMPTNOK-UHFFFAOYSA-N 293.208 3.541 30 20 CHED CCCCCOc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 103443181 BMWZYQFFPMRRBP-CQSZACIVSA-N 288.391 3.630 30 20 CHED C#CCCCNC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 174098420 XPBWEZKANFESSY-HNNXBMFYSA-N 290.382 3.626 30 20 CHED C=CCCC(=O)OCc1cnc(-c2ccccc2)s1 102506337 UCURAZAFKJFZPH-UHFFFAOYSA-N 273.357 3.820 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2ccccc2)c1 113961436 LVOVVEFLOMTCPG-QGZVFWFLSA-N 280.371 3.657 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1CCc1ccccc1 179780525 CDSTVODGWYVJBC-GOSISDBHSA-N 283.415 3.804 30 20 CHED CC(C)Oc1ccc(OC(=O)c2cccc(CC#N)c2)cc1 172178681 XBFAPQZTSADEFY-UHFFFAOYSA-N 295.338 3.759 30 20 CHED C=CCC[C@H](NCc1cn(C)nc1C)c1ccccc1 119225632 YGKNBGDVDGHEBK-KRWDZBQOSA-N 269.392 3.526 30 20 CHED CN(CCC#N)CCCSc1ccccc1Cl 177184802 IINZHZPJKHUXJK-UHFFFAOYSA-N 268.813 3.668 30 20 CHED N#Cc1ccc(Nc2ccc(NCC3CCCC3)cc2)nn1 302009723 VQMYQXLRHPADMR-UHFFFAOYSA-N 293.374 3.694 30 20 CHED C=CCCOC(=O)[C@@H](C)c1ccc(Br)s1 174058640 KZTBGQWERPGNCM-QMMMGPOBSA-N 289.194 3.733 30 20 CHED O=C(/C=C/c1c(Cl)cccc1Cl)c1cnccn1 115962704 ZOUDIROSURBSHW-SNAWJCMRSA-N 279.126 3.680 30 20 CHED CC(C)c1ccsc1C(=O)[C@H](C#N)c1cccc(F)n1 1342636602 HCFDLJLXJCRNPB-LLVKDONJSA-N 288.347 3.896 30 20 CHED C=C(C)COc1cccc(NC(=O)NCc2ccco2)c1 66964184 ARXNAVFUTHGNDY-UHFFFAOYSA-N 286.331 3.556 30 20 CHED N#CCc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 115205595 VDBIZWPWTMZOEE-MRXNPFEDSA-N 290.366 3.811 30 20 CHED CC(C)(C)n1cnnc1S[C@@H](C#N)C1CCCCC1 115187812 MWMROCGOTMEPNX-LBPRGKRZSA-N 278.425 3.598 30 20 CHED C=C(C)CN(CC)C(=O)Cc1c[nH]c2cc(Cl)ccc12 67969311 PIHDREGTLDUZFJ-UHFFFAOYSA-N 290.794 3.788 30 20 CHED C#CCCSc1nnc(-c2c(C)cc(C)cc2C)o1 179270233 URUGWXRSQSXPQF-UHFFFAOYSA-N 272.373 3.777 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 171172421 PTAOPGRSVAYKJL-QGZVFWFLSA-N 298.430 3.988 30 20 CHED C=C(C)CNc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 66938816 QUFIEZDKXWYFII-UHFFFAOYSA-N 289.404 3.946 30 20 CHED C=C[C@@H](CC(=O)NCc1ccsc1)c1ccccc1 178934059 FLQXIGFZFVMVPF-AWEZNQCLSA-N 271.385 3.724 30 20 CHED C/C(=C\C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C1CC1 178664898 ROGIXSDZMJEXAX-XYOKQWHBSA-N 284.359 3.640 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1oc2c(C)ccc(C)c2c1C 127011938 ADHAUPLUDRTYMQ-KRWDZBQOSA-N 284.359 3.780 30 20 CHED CC[C@H](C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 66394671 CLYFNLSHUYFJAS-GZMMTYOYSA-N 285.174 3.720 30 20 CHED C[C@@H](NC(=O)CSc1ccccc1)c1ccc(C#N)cc1 33179135 JSXGQEAAECJMOM-CYBMUJFWSA-N 296.395 3.528 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(Cl)c1O 189033970 JHWHJDHTOMJJMT-CYBMUJFWSA-N 253.729 3.586 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 183880190 BZJKEVXHQRJYDN-DYVFJYSZSA-N 280.371 3.752 30 20 CHED C=CCN(C)Cc1ccc(OC)c(SC(F)(F)F)c1 121524653 NFBKEYZFPJZLCS-UHFFFAOYSA-N 291.338 3.925 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)c(Cl)c1 180016090 QWBWAJGBWBPAEO-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C=CCN(CC=C)C(=O)Cc1cccc2ccc(OC)cc12 124373250 WRZPIQBOURGHAP-UHFFFAOYSA-N 295.382 3.592 30 20 CHED C=C[C@@H](CC(=O)Nc1c(C)cccc1O)c1ccccc1 183043564 HDGPRFDOLARTLA-AWEZNQCLSA-N 281.355 3.999 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(C)C 183328441 NRFYEHJJCASNOV-CHWSQXEVSA-N 288.391 3.966 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCOc2c(F)cccc21 188576206 ZRROOGDHHJMZPW-RHSMWYFYSA-N 291.366 3.758 30 20 CHED CSc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1Cl 182281618 VVAYHYUSDPRKJS-UHFFFAOYSA-N 291.763 3.514 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(F)cc1Br 235203247 VRPAQTMVKQXWPW-SECBINFHSA-N 299.187 3.789 30 20 CHED COc1ccc(C#N)cc1COc1cc(Cl)cc(C#N)c1 313843812 QSCHRORCNAWMMT-UHFFFAOYSA-N 298.729 3.671 30 20 CHED N#Cc1cnc(N[C@H]2C[C@H](c3ccccc3F)C2)c(F)c1 413277859 XXNSTAXCKLEJNA-HAQNSBGRSA-N 285.297 3.590 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCCCC1 413822814 LLKFJEGYTVIFMQ-QGZVFWFLSA-N 286.419 3.759 30 20 CHED Cc1ccccc1CN(C)C(=O)/C=C\c1ccccc1C#N 216011007 BGGGCNNJXWSFOV-QXMHVHEDSA-N 290.366 3.539 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)Cc2ccsc2)cc1 120464846 GBBALFFCYKWPLO-CYBMUJFWSA-N 286.400 3.671 30 20 CHED C=CCN(C(=O)CC[C@H]1CC[C@H](C)O1)c1ccccc1 74241110 BDJIJGALBNXMOD-GOEBONIOSA-N 273.376 3.553 30 20 CHED C=CCC1(NC(=O)c2cc3cccnc3[nH]2)CCCCC1 413837539 ASWZGAPATILSJV-UHFFFAOYSA-N 283.375 3.572 30 20 CHED C=C[C@H]1CCCCN1CCOc1ccccc1OCC 489427433 NVQKIWPZWUCKBG-HNNXBMFYSA-N 275.392 3.505 30 20 CHED CC#CCCOc1cc(Br)cc(F)c1F 219902658 QQHDYTAZGYHODD-UHFFFAOYSA-N 275.092 3.520 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(Cl)c(C)c2)c1 128466739 OWWURHREXBZFMP-UHFFFAOYSA-N 283.758 3.906 30 20 CHED CO[C@@H]1Cc2ccccc2N([C@@H](C)c2ccc(C#N)cc2)C1 502508211 COMAHJOZNUQBDM-KBXCAEBGSA-N 292.382 3.697 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 120217315 DNZKSLNHUGOGGZ-WDEREUQCSA-N 284.302 3.550 30 20 CHED Cc1ccc(SCCNCc2ccc(C#N)cc2)cc1 70946951 LZGUJLLTYPKRFN-UHFFFAOYSA-N 282.412 3.749 30 20 CHED CCc1ccc(-c2ccc(C(=O)N[C@H](C)CC#N)o2)cc1 79813205 UZMUGSNSAWZOCH-GFCCVEGCSA-N 282.343 3.541 30 20 CHED C=C(C)CN(C)C(=O)c1cccc(-c2ccoc2)c1 180479278 UCGATXCFUGEXCE-UHFFFAOYSA-N 255.317 3.595 30 20 CHED C=C(C)CCN(CCC)CC(=O)Nc1ccccc1C 509264498 QPCWYCRYSYFTRW-UHFFFAOYSA-N 274.408 3.612 30 20 CHED COC1CCC(N[C@H]2CCCCc3cc(C#N)ccc32)CC1 414164112 ABQLUCKQNCJKPZ-TVPLGVNVSA-N 298.430 3.873 30 20 CHED C=CCOCCCC(=O)N(C)Cc1cccc2ccccc12 79481864 LMNIYQNTMWXODJ-UHFFFAOYSA-N 297.398 3.781 30 20 CHED CCO[C@H]1C[C@@H](Nc2cccc(CC#N)c2)C12CCCC2 313409779 MHRNNGMNBXLRNM-SJORKVTESA-N 284.403 3.902 30 20 CHED C=CCOCCSCc1csc([C@H](C)OCC)n1 419429839 VBNZEDVFUUIWSG-NSHDSACASA-N 287.450 3.676 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1C1CCCCC1 185221198 HNLSXNDFSXTFDM-INIZCTEOSA-N 261.409 3.751 30 20 CHED C=CCOc1ccc(Oc2nccc(C)c2[N+](=O)[O-])cc1 78559376 JNJNQGIRQDHQBV-UHFFFAOYSA-N 286.287 3.655 30 20 CHED C=CCN(Cc1cccs1)Cc1cccc2c1OCO2 506011713 FRAOGWSQADLZPL-UHFFFAOYSA-N 287.384 3.665 30 20 CHED C=CCCCCCN(C)C[C@@H]1COc2ccccc2O1 606934573 VNWIAIIZPMWVIU-OAHLLOKOSA-N 275.392 3.505 30 20 CHED C=CCn1c(N2CCC[C@@](C)(CC)C2)nnc1C(C)(C)C 508883949 DLPKELWEGNZLEX-QGZVFWFLSA-N 290.455 3.778 30 20 CHED CCN(Cc1cnc2ccc(C)cc2c1)C[C@H](C)C#N 411206893 FFVGICIMYYQWEU-CQSZACIVSA-N 267.376 3.525 30 20 CHED C=C(C)CCSc1nc2ccccc2c(=O)n1C1CC1 505489156 ZRTYYAOXZZSGHY-UHFFFAOYSA-N 286.400 3.790 30 20 CHED CCCC(CCC)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 410717205 JERNFRFATIXCML-IBGZPJMESA-N 298.430 3.770 30 20 CHED CCOc1ccc(NCc2ccc(C#N)s2)cc1 135672223 YFNXPYCPBWHFMC-UHFFFAOYSA-N 258.346 3.631 30 20 CHED O/C(=N/[C@@H]1CC[C@H](F)C1)Nc1nc2ccsc2s1 329444572 LQFHHEFNTXQVAR-NKWVEPMBSA-N 285.369 3.574 30 20 CHED C=CCN(C(=O)[C@H](C)c1c(C)noc1C)c1ccccc1 131233383 MBYBDKONGMVQPF-GFCCVEGCSA-N 284.359 3.614 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)C12CCCC2 85679291 FEDMLJYDYMINJF-HZPDHXFCSA-N 288.366 3.847 30 20 CHED N#Cc1ccc(CNC2(c3ccccc3F)CC2)cc1F 192158114 PGXWIKYYFRATCH-UHFFFAOYSA-N 284.309 3.615 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc2ccccc2c1O 320331887 ZGEVSQQFBSXULG-ZFWWWQNUSA-N 285.387 3.523 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCc2ccccc2OC1 509493152 NFPINWREEWOZHG-HNNXBMFYSA-N 282.318 3.503 30 20 CHED CC(C)(C#N)CCCCN[C@@H]1CCCC[C@H]1OC(F)F 502507643 JCRZVIYPZFCRDV-CHWSQXEVSA-N 288.382 3.846 30 20 CHED C=CCC[C@@H](O)CN(C(C)C)[C@H](C)c1ccsc1 421005381 JEXUAYWMYFBEEX-UKRRQHHQSA-N 267.438 3.847 30 20 CHED Cn1cc(N/C(O)=N/CC2(C)CCC2)c(-c2ccccc2)n1 329582055 XHBHIVCGDYQIBS-UHFFFAOYSA-N 298.390 3.603 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C(/O)[C@H]1CCC(O)=NC1)CCC2 329184623 AESHDTJUSSSYTR-DZGCQCFKSA-N 286.375 3.695 30 20 CHED C=CCn1cc(CN[C@H](CC(C)(C)C)c2ccccc2)nn1 424290767 CETRQDOGWXUYOM-QGZVFWFLSA-N 298.434 3.731 30 20 CHED C=CCN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 428796496 YJKQSJMFTYTDGY-FZMZJTMJSA-N 285.309 3.653 30 20 CHED CCCCCCCCC(=O)Nc1cc(C(N)=O)ccc1F 192534211 PNDIEYNOCCFOQT-UHFFFAOYSA-N 294.370 3.614 30 20 CHED C[C@@H]1CN(CCCCC(C)(C)C#N)Cc2ccccc2O1 429180063 XGMNHCJTRHUNLL-OAHLLOKOSA-N 286.419 3.990 30 20 CHED CC[C@@H](C)CCC(=O)N[C@@](C)(C#N)CCc1ccccc1 511712370 MVYUPXBXKYGBLV-CRAIPNDOSA-N 286.419 3.844 30 20 CHED CC(C)c1ccc(/C(O)=N/C[C@H]2CCO[C@H](C)C2)c(O)c1 331239641 OKEYVFZDAVUDMP-OLZOCXBDSA-N 291.391 3.635 30 20 CHED C=CCCC(=O)N(CC(C)C)c1ccc(C#N)cc1 338605264 IITMEKHFIZIQHE-UHFFFAOYSA-N 256.349 3.513 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(N2CCCC2)c1 424607423 UHXPZBVMNLOSGR-UHFFFAOYSA-N 272.392 3.828 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@@H](SCC)C1 426053534 XOCMHKFACBMEMC-RBSFLKMASA-N 296.480 3.801 30 20 CHED CCc1ncsc1C(=O)Nc1sc(C)c(C)c1C#N 335739800 PQQQENIAHJQZNX-UHFFFAOYSA-N 291.401 3.508 30 20 CHED CCCn1c(C(=O)O[C@@H](C#N)CC)cc2ccccc21 191588150 GFZKPTOSJJZZNM-CYBMUJFWSA-N 270.332 3.510 30 20 CHED CCCCN(C(=O)c1ncc(C#N)cc1C)c1ccccc1 515680454 KRPAIEZRAJYHOL-UHFFFAOYSA-N 293.370 3.709 30 20 CHED N=C(O)C1(C/N=C(/O)c2csc(Cl)c2)CCCC1 330945207 JTYSMBNYQSXOOA-UHFFFAOYSA-N 286.784 3.802 30 20 CHED CSc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 339157250 YXXKEUZQNACCPN-SCRDCRAPSA-N 260.406 3.751 30 20 CHED N#Cc1cccc(Sc2cccc(Br)c2)n1 81622556 XJCUPROUXYVYHZ-UHFFFAOYSA-N 291.173 3.867 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C#N)c(Cl)cc1F 335323570 IEXZWJHWJSSGRA-UHFFFAOYSA-N 268.719 3.666 30 20 CHED COC(=O)c1ccc(Cl)cc1OCCCC(C)(C)C#N 178817252 PAJTXBCXAMIZDO-UHFFFAOYSA-N 295.766 3.835 30 20 CHED C=CCn1cc(CN[C@H](CC(C)C)c2ccccc2C)nn1 424292393 GURNJLHNFDWHOV-GOSISDBHSA-N 298.434 3.650 30 20 CHED C=C1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 518677316 GVRDGCMBFUXVNH-UHFFFAOYSA-N 271.404 3.966 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 93116444 VPCOLZOCVKBCRA-SFHVURJKSA-N 280.346 3.865 30 20 CHED CCOc1ccccc1CN(C)c1nc(C)cc(C)c1C#N 97477027 JDWJPHVAZIOLRY-UHFFFAOYSA-N 295.386 3.605 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)cc1 335371320 AMGSYTLQZNPNEL-CZUORRHYSA-N 282.387 3.502 30 20 CHED C=CC1CCN(C(=O)c2c(C)cc(C)cc2C)CC1 90563609 GUSJUICKJWIKGZ-UHFFFAOYSA-N 257.377 3.650 30 20 CHED C=CCOc1ccccc1CNc1ccc(C#N)cc1F 96474958 LQJCDHCXOKKBBT-UHFFFAOYSA-N 282.318 3.874 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)C#N)c(OCc2ccccc2)c1 510405424 CMOYRQFJKGBSJS-AWEZNQCLSA-N 294.354 3.672 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cnc([C@H](C)CC)nc1 434514010 NTXMSXXOJKHFRU-TZMCWYRMSA-N 288.395 3.563 30 20 CHED C[C@@H](C1CC1)N(Cc1ccc(C#N)cc1Cl)C1CC1 439443027 UBSKDBAQDVGJCF-NSHDSACASA-N 274.795 3.975 30 20 CHED COc1ccc(C)cc1[C@H](C)/N=C(/O)N[C@@H]1CC[C@@H](C)C1 331224686 MIZAUUYFJDWGQP-KWCYVHTRSA-N 290.407 3.757 30 20 CHED C[C@@H](SCc1ccc(C#N)cc1Cl)c1cnccn1 438881765 ZRMZJWPKWVZWPN-SNVBAGLBSA-N 289.791 3.996 30 20 CHED C=CCCCCNC(=O)Nc1cc(C#N)cn1C(C)(C)C 349804930 UNELEUZBKRDIBK-UHFFFAOYSA-N 288.395 3.593 30 20 CHED C=CCN(CCC#N)Cc1c(Cl)oc2ccccc12 430108395 VJMMQMKLLQVTMO-UHFFFAOYSA-N 274.751 3.988 30 20 CHED Cc1occc1S[C@@H](C)C(=O)Nc1ccccc1C#N 181283067 WMVNJEAMXRLCEG-NSHDSACASA-N 286.356 3.579 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@H]2C[C@H]2c2ccccc2)no1 347218657 OIRBKUWQBCGROY-VGWMRTNUSA-N 296.370 3.789 30 20 CHED COc1cccc(C)c1NCCCOc1cccc(C#N)c1 435879008 AEPRDQODQZDHMH-UHFFFAOYSA-N 296.370 3.756 30 20 CHED CN(Cc1ccccc1C(F)(F)F)c1ccnc(C#N)c1 341350998 DXZOLAQBFIFWJQ-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CCC(C)(CC)CC1 436305782 HWRKMJSSVJPOJQ-KZYLPZIUSA-N 265.441 3.916 30 20 CHED Cc1cccc(-c2nsc(N3CCC[C@](C)(C#N)C3)n2)c1 601141719 PIOSSBQSNQKNTG-MRXNPFEDSA-N 298.415 3.644 30 20 CHED Cc1ccnc(NCc2cc3c(s2)CCCC3)c1C#N 544068575 QFRIUQZRABTYAH-UHFFFAOYSA-N 283.400 3.814 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)c1cccc(OC(F)F)c1 341540185 ZDBGAWFMNLDSHS-SNVBAGLBSA-N 289.285 3.728 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(-n2cccn2)c1 432641132 ANEJPCKIYZVIBB-UHFFFAOYSA-N 298.390 3.596 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 604917271 IAPYHDJWZQIYTD-GFCCVEGCSA-N 299.418 3.857 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1cccc(C#N)c1F 340876955 BZGJSKPOOXJOQR-CYBMUJFWSA-N 280.346 3.644 30 20 CHED CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(C#N)c1 346143644 HFYVGNHZMRLAGB-UHFFFAOYSA-N 298.773 3.874 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cccc2c1OCCO2 255724481 DKUCWLOZMHQZBR-WAYWQWQTSA-N 286.352 3.724 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H](CC)c2ccncc2)c1 255324265 KYGGHPHUGZIJCT-BKAYVGFPSA-N 284.359 3.756 30 20 CHED Cc1cc(NCCC2CC(OC(C)(C)C)C2)cc(C#N)n1 343237983 UCHOBBYRCLPCRN-UHFFFAOYSA-N 287.407 3.657 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H]1C[C@H]1C(F)F)c1ccccc1 345594931 LAWMVVNUWHWRIR-HZSPNIEDSA-N 294.345 3.647 30 20 CHED N#Cc1cc2c(nc1NCc1cc3ccccc3o1)CCC2 603859691 SKHUUVDFCHPNPD-UHFFFAOYSA-N 289.338 3.800 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(F)c(C#N)c1Cl 349108542 LNRQMLQAFZGHHO-OWOJBTEDSA-N 283.693 3.788 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C[C@@H](C)O1 252788717 REHDWXDWJIENPI-DDFAGTSDSA-N 298.308 3.945 30 20 CHED Cc1nn(C[C@H](C)C#N)c(C)c1SCc1ccccc1 601932349 JTDAIBHAKXSDDS-GFCCVEGCSA-N 285.416 3.952 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CC[C@@H](C)C1 345268488 BSIZDELAUZIMEG-HIFRSBDPSA-N 264.413 3.601 30 20 CHED C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)C1CC1 347778530 NXSJUHNDIKIFQH-QMMMGPOBSA-N 265.765 3.671 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1snc(C)c1C#N 341752996 ZUMYXLQCXZWRRF-CQSZACIVSA-N 269.373 3.731 30 20 CHED C[C@@H](C#N)Nc1ccccc1COCc1ccccc1 603955347 SGTFVHRSYBCXFS-AWEZNQCLSA-N 266.344 3.727 30 20 CHED C=CCC1(C(=O)Nc2ccc3oc(O)nc3c2)CCCC1 449417153 WQYVENBVFXKQGK-UHFFFAOYSA-N 286.331 3.608 30 20 CHED C[C@H](CCC1CC1)NC(=O)C[C@H](CC#N)c1ccccc1 356777178 KJKLIBOYCIBYLR-PBHICJAKSA-N 284.403 3.769 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2ccccc2CC#N)C1 601619934 FIYSAKNCRZVCOH-AWEZNQCLSA-N 284.403 3.651 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2cc(C)oc2C)CC1 355324835 XAYPNYWTCKSTIO-GFCCVEGCSA-N 261.365 3.820 30 20 CHED C=CCC[C@H](NCc1ccc(F)cn1)c1ccco1 353406169 PXDJFTTWZZCHFJ-AWEZNQCLSA-N 260.312 3.611 30 20 CHED C=CCCCC[C@@H](C)N[C@@H]1CCOC2(CCC2)C1 449189128 OYIZDWCOCHZHHX-HUUCEWRRSA-N 251.414 3.813 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCCn1ccc2ccccc21 538501840 ICXDSKSSRXCNFV-MRXNPFEDSA-N 299.418 3.685 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](C)C1 538462517 NGRKORCISXZUEZ-QAPCUYQASA-N 298.430 3.979 30 20 CHED CSc1ccccc1N[C@@H](C)CC1(C#N)CCOCC1 602489710 NKZYJVOXKDIFIS-ZDUSSCGKSA-N 290.432 3.919 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(OCC2CCCCC2)cc1 530817788 ZVQNDHVHDGHAHK-CYBMUJFWSA-N 286.375 3.744 30 20 CHED CN(Cc1c(F)cccc1Cl)CC1(CC#N)CC1 602756044 JPDUBFWCFALIQQ-UHFFFAOYSA-N 266.747 3.605 30 20 CHED CC(C)c1ccc(CCNc2cccc(C#N)n2)cc1 609893572 VNQQIJKBUDIULQ-UHFFFAOYSA-N 265.360 3.731 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(-c3ccccn3)cc2)cc1 355618561 AKZSEPNKILGTNG-UHFFFAOYSA-N 299.333 3.873 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C1\CC[C@H](C)C1 267896767 YSYFIJDLLOEGPK-GJSJWPQCSA-N 254.333 3.552 30 20 CHED C=CCCCC(=O)Nc1c(C(=O)OCC)ccc(F)c1C 356197367 IWSGCLFNPXASGH-UHFFFAOYSA-N 293.338 3.606 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(COc2cccc(F)c2)c1 357833708 QAHKCHKABZHLGL-GFCCVEGCSA-N 298.317 3.503 30 20 CHED CC(C)(C)CCCCNCc1ccc(C#N)s1 538393950 YGICPUKZZZOBRP-UHFFFAOYSA-N 250.411 3.926 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(-c2ccco2)s1 610804743 NZZFKNIGSWIJHE-HNNXBMFYSA-N 288.372 3.676 30 20 CHED C=CCOc1ccc(CN(C)CC(C)(C)OC)cc1Cl 537724875 NAPPNGRUOWMLHJ-UHFFFAOYSA-N 297.826 3.762 30 20 CHED CC[C@H](NCCCN1CCCC[C@@H]1C)c1ccc(C#N)cc1 447511214 SKPFORGXKYGIAD-LPHOPBHVSA-N 299.462 3.863 30 20 CHED C=CCCC1(C(=O)NCCc2ccc3ccccc3n2)CC1 355274924 KCHDHQGCGRCELY-UHFFFAOYSA-N 294.398 3.640 30 20 CHED CO[C@@H]1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1C#N 538131554 KYTACRGGRDAACL-IINYFYTJSA-N 298.308 3.804 30 20 CHED Cc1cc2occ(C(=O)N[C@@H](C#N)CC(C)C)c2cc1C 613667935 JIXPKIUIISDOTD-CYBMUJFWSA-N 284.359 3.718 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)CCCc1ccccc1 539366937 JBNKNHHIYFDHDF-INIZCTEOSA-N 271.404 3.846 30 20 CHED N#Cc1cccc(CSc2nnc(C3CC3)s2)c1F 353206557 WOTSHPOOJGNICX-UHFFFAOYSA-N 291.376 3.719 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 619615665 DCZMSDGGBNDRMI-KVWWFHCMSA-N 296.414 3.723 30 20 CHED CC(C)[C@@H]1CCCN(Cc2cc(C#N)cs2)CC1 537625037 FXDIQNJMNWFOSH-CQSZACIVSA-N 262.422 3.878 30 20 CHED Cc1cc(C)cc(N/C(N)=N\[C@H]2c3ccccc3O[C@@H]2C)c1 262273871 JBJSHSSIXUTHQA-CXAGYDPISA-N 295.386 3.552 30 20 CHED CC(C)O[C@H]1C[C@@H](NC2CCC(C)(C#N)CC2)C1(C)C 449251916 RIZBYCJIRDNUMA-DGNOSDGRSA-N 278.440 3.641 30 20 CHED N#Cc1cccc(-c2nc(-c3c[nH]c4ccccc34)no2)c1 445442367 CDHWMHIVEPRFGK-UHFFFAOYSA-N 286.294 3.757 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCOc1ccccc1 611390278 NPUHWCXLWHBWIS-LJQANCHMSA-N 292.382 3.604 30 20 CHED C=CCN(Cc1ccc2c(c1)nnn2C)CC1CCCCC1 537628737 WBDPIZYQDVIJFU-UHFFFAOYSA-N 298.434 3.537 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc2ccccc2n1 453361206 QLPZRXDBEMQXPX-VHSSKADRSA-N 282.387 3.619 30 20 CHED C=CCC1(CNC(=O)[C@H]2CCO[C@H](CCC)C2)CCCC1 456488468 QVYCITHJIZJFJE-JKSUJKDBSA-N 293.451 3.834 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 454274069 VGDVKHIMKLKBAA-NSHDSACASA-N 298.333 3.614 30 20 CHED C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccsc1 619789544 HMASYIUSVCSIQJ-VIFPVBQESA-N 289.335 3.642 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCc2ccccc21 452309856 DXBBBVPVONHWMC-MAUKXSAKSA-N 271.404 3.825 30 20 CHED Cc1cscc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618762283 UQAVIFGMBZIMND-CQSZACIVSA-N 297.383 3.737 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2CCc3c(Cl)cccc32)c1 611410049 LWSMROZQKZYHGQ-OAHLLOKOSA-N 296.757 3.880 30 20 CHED CCN(CC#N)Cc1ccc(OCc2cccc(F)c2)cc1 611264085 JFQMVONCVVPZJT-UHFFFAOYSA-N 298.361 3.750 30 20 CHED C[C@@H](CCN1CCC[C@@](C)(C#N)C1)c1ccccc1 618606456 GPJWZRYMOYEKHP-RDJZCZTQSA-N 256.393 3.806 30 20 CHED C=CCC1(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)CCC1 456979040 JPMYLPMZNIVVHG-WBTNSWJXSA-N 273.420 3.627 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)CCc1cccs1 458813167 SKSDBIKUULWIND-UHFFFAOYSA-N 294.464 3.924 30 20 CHED CC(C)(C#N)CCN1CCc2c(Cl)cccc2C1 272016638 LTJUTXDXMAYSAV-UHFFFAOYSA-N 262.784 3.638 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCCS2)cc1 272960991 LMGMAHWOFYBIBF-AWEZNQCLSA-N 288.416 3.712 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CC(C)(C)C#N 278349875 MWGAVDDJAAABAR-FMKPAKJESA-N 284.403 3.719 30 20 CHED C=CCCc1noc([C@@H]2C[C@H]2c2sccc2C)n1 453238591 QTJZARRZSIUIMO-GHMZBOCLSA-N 260.362 3.829 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](C)c1ccc(C)cc1 454301813 NFQXCOURQGICFQ-CYBMUJFWSA-N 260.381 3.567 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(OCCC)c(F)c1 629506402 XWHIQGIIYNVRJK-LBPRGKRZSA-N 295.354 3.534 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 450113340 KUXJNOFUTCPZLD-YJBOKZPZSA-N 288.435 3.745 30 20 CHED C[C@@H](NC[C@H]1CCOC(C)(C)C1)c1ccc(C#N)c(F)c1 453430702 REUFVKIFVUCHPD-OLZOCXBDSA-N 290.382 3.553 30 20 CHED C=CCCc1noc(-c2sc(C(C)(C)C)nc2C)n1 453246412 JCGHICJIPURFTH-UHFFFAOYSA-N 277.393 3.918 30 20 CHED C#CC[C@H](NCc1ccc(OC)cc1OC)c1ccccc1 270236179 RIJNXSHBLZKYRB-SFHVURJKSA-N 295.382 3.558 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccs1 275274678 LZHAWLRXKJLUOR-LBPRGKRZSA-N 256.374 3.813 30 20 CHED C[C@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1 272385804 FXVFBIHOSAKPJQ-CXAGYDPISA-N 272.392 3.625 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc(C(C)(C)C)ccc1O 278594182 KPAOSFAKNBPLIW-UHFFFAOYSA-N 274.364 3.568 30 20 CHED C=CCOCCCC(=O)N(Cc1ccsc1)C(C)(C)C 622903482 UGCVEIZYPGUXBO-UHFFFAOYSA-N 295.448 3.858 30 20 CHED C=CCCCNC(=O)CCCCC(=O)c1ccc(C)cc1 468365376 UPPSJFSADAECQT-UHFFFAOYSA-N 287.403 3.821 30 20 CHED CC#CCCCC(=O)Nc1ccc2nn(C(C)C)cc2c1 466857492 CHKBCWCUYPXODZ-UHFFFAOYSA-N 283.375 3.749 30 20 CHED N#Cc1cc(CN2CCc3c(F)cc(F)cc32)ccc1F 468280267 SICIOKMBHKDJFC-UHFFFAOYSA-N 288.272 3.538 30 20 CHED C=CCCc1nc(Cc2cccc3ccccc23)no1 547022340 HBMZSUZEUXRUJL-UHFFFAOYSA-N 264.328 3.932 30 20 CHED C[C@H]1C[C@H]1CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 464443169 AOFLPLGJXJHBIR-YRFCHQJDSA-N 276.424 3.647 30 20 CHED Cc1ccc(F)c2c1CCCN2C(=O)c1cc(C#N)oc1C 281043983 VWWSADIDIAGONT-UHFFFAOYSA-N 298.317 3.500 30 20 CHED N#CCCCOc1cccc(CNC23CCC(CC2)C3)c1 372349412 PEUVXCJCUROTOT-UHFFFAOYSA-N 284.403 3.791 30 20 CHED CC[C@H](NCc1ccc(C#N)cn1)c1ccc(C)cc1 554073423 NRVNHQPTPKIVNA-KRWDZBQOSA-N 265.360 3.503 30 20 CHED C=CCCCCCN(C)C(=O)C1Cc2ccccc2C1 469470807 PKXUSWFRBISEBR-UHFFFAOYSA-N 271.404 3.606 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(Br)cc1C 288484553 ACXFXLGZAKJNNV-CYBMUJFWSA-N 296.164 3.603 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC)Cc1ccc(Cl)cc1 467011121 SBUWFZWYRPBBLK-OAHLLOKOSA-N 294.826 3.879 30 20 CHED C[C@@](C#N)(NC(=O)c1cccc2c1CCC2)C1CCCCC1 559595313 XMRWRPILKFWYBJ-IBGZPJMESA-N 296.414 3.768 30 20 CHED C[C@H](CCC1CC1)NCCSCc1ccccc1C#N 469772323 LDNHVYHSCILHCV-CQSZACIVSA-N 288.460 3.960 30 20 CHED C=CCOc1cccc(CN[C@@H](C)c2cnc(C)s2)c1 631224358 USNXTVWZITZLNW-LBPRGKRZSA-N 288.416 3.867 30 20 CHED C=CCN(C(=O)c1sc(C)cc1C)C(C)(C)C 637408437 MTGZAKPGTKBFSZ-UHFFFAOYSA-N 251.395 3.792 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc(-n2cc(C)nc2O)c1 475513224 JNYLOFIXCGQHRB-GXTWGEPZSA-N 285.391 3.899 30 20 CHED N#Cc1cnccc1Oc1cncc(-c2ccccc2)c1 567156040 BZGMSRJBXFGFTB-UHFFFAOYSA-N 273.295 3.808 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC(C)(C)C1 569503995 RABSQZNPCQHCCO-LLVKDONJSA-N 289.354 3.597 30 20 CHED CN(Cc1cccc(O)c1)Cc1ccc(Cl)cc1C#N 566044287 VGSJOYYWOYUWIG-UHFFFAOYSA-N 286.762 3.549 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C)cc(C)n2)c1 800861668 ZINGEJOARPXMJI-UHFFFAOYSA-N 282.343 3.516 30 20 CHED C=CCC[C@H](NCCn1cnc2ccccc21)c1ccco1 560527947 GJXXRYOPQCTBEE-INIZCTEOSA-N 295.386 3.926 30 20 CHED Cc1cccc([C@@H]2CCCCN2CCO[C@@H](C)C#N)c1C 801925156 GAQWJPQIPISLFF-YJBOKZPZSA-N 286.419 3.759 30 20 CHED Fc1cccc(Cl)c1C=NNCC1CCCC1 808006075 ODUMRBZWEPKBKG-UHFFFAOYSA-N 254.736 3.593 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1ccc(SC)cc1 292644380 DIVAWIWLFXFLPX-UHFFFAOYSA-N 263.406 3.974 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc(F)ccc1Cl 297774323 KXTZDBUHPSKITM-CQSZACIVSA-N 282.746 3.537 30 20 CHED C=CCOCCCN[C@@H](C)c1ccc(-c2cccnc2)cc1 470778091 DQIQMKJTMKCYRN-INIZCTEOSA-N 296.414 3.992 30 20 CHED C=CCCCCSCC(=O)Nc1cccc(OC)c1 561244904 UMWARIBIQZYOIM-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C=CCCOCCCCC(=O)N[C@@H](C)C1CCCCC1 563714815 LNYIWSMMCYEFPA-HNNXBMFYSA-N 281.440 3.834 30 20 CHED COc1cc(CN(C)C2CCC(F)(F)CC2)ccc1C#N 290092976 HCHIOBNUOVPVQW-UHFFFAOYSA-N 294.345 3.577 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CCCC2 568753691 BCRLIZVCVIXACX-IYOUNJFTSA-N 268.404 3.908 30 20 CHED N#C[C@@]1(C(=O)Nc2cc(Cl)ccc2F)CC12CCCC2 297759395 HLFXAVPSKXQDNK-OAHLLOKOSA-N 292.741 3.892 30 20 CHED C=C(C)[C@H](Nc1cc(C#N)ccn1)c1ccc(F)c(F)c1 561273641 FWEFIGRKEYOONJ-INIZCTEOSA-N 285.297 3.961 30 20 CHED C[C@@H]1/C(=C/c2ccccc2C#N)C(=O)c2ccccc21 809155654 CPPRUCMWGHWJSQ-NJPLLEPOSA-N 259.308 3.942 30 20 CHED C=CCCCCCCNC(=O)c1scnc1Cl 805220191 HCJYJTKMZREFRH-UHFFFAOYSA-N 272.801 3.663 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C2CC3(CCC3)C2)cc1 569469276 SCXQGMJRADKBBP-QGZVFWFLSA-N 296.414 3.852 30 20 CHED O=C(/C=C\c1cnccn1)c1cc2cc(Cl)ccc2o1 809152579 IAQSFWKNJUEWQD-IHWYPQMZSA-N 284.702 3.772 30 20 CHED N#Cc1cc(F)ccc1CN1CCC=C(c2ccccc2)C1 560171905 FBEZIDLOYBOZMM-UHFFFAOYSA-N 292.357 3.987 30 20 CHED C[C@@](C#N)(NC(=O)C1(F)CCCCC1)C1CCCCC1 813081057 IIHLJDCKEKEAEL-HNNXBMFYSA-N 280.387 3.638 30 20 CHED Oc1ccc(C2CCC(=NOCC3CC3)CC2)cc1 814941456 YBDVPSBRXBTZJK-UHFFFAOYSA-N 259.349 3.832 30 20 CHED C#C[C@H](NCc1ccccc1O)c1ccc(Cl)cc1 811517568 WGDFKGNUONCOKF-HNNXBMFYSA-N 271.747 3.510 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1c[nH]nc1C 814871904 OEDXIGUHQRFUGI-UHFFFAOYSA-N 283.162 3.861 30 20 CHED C=CCC1(NCc2ccc(Cl)cc2)CCOCC1 657633209 RTIJIOHRXVGSOQ-UHFFFAOYSA-N 265.784 3.555 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](c1ccccc1)C1CCCCC1 812005303 GIQHTPCCHWIWQD-CRAIPNDOSA-N 298.430 3.971 30 20 CHED C=C(C)CN(C)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 482145748 ZSQKIGNCLZBNAO-UHFFFAOYSA-N 296.292 3.835 30 20 CHED C=CCCC(=O)NC1CCC(C)(c2ccccc2)CC1 489170379 OKLUFVWHQFKSAH-UHFFFAOYSA-N 271.404 3.969 30 20 CHED C[C@H]1CC(=NOC/C=C\Cl)CCN1Cc1ccccc1 811671135 AIJBSZGNXOEFOD-GMJFTHHDSA-N 292.810 3.796 30 20 CHED CN(Cc1ccc(F)cc1C#N)c1c(F)cccc1F 489577045 LCYJOWGMRZZNMM-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C=CCCN[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C 658117264 SGWCLSPPHPVXQV-LBPRGKRZSA-N 280.799 3.531 30 20 CHED CC(Cc1ccsc1)=NNCCCOc1ccccc1 729636720 NMIOEOCJTGTIQO-UHFFFAOYSA-N 288.416 3.725 30 20 CHED CN(Cc1c(Cl)cccc1Cl)c1cccnc1C#N 571253457 ZYAKRYHIXGPVLI-UHFFFAOYSA-N 292.169 3.896 30 20 CHED CC[C@H]1CCC1=NNc1nnc(-c2ccccc2)s1 814949075 SMXMLBNDIHEHQF-JTQLQIEISA-N 272.377 3.793 30 20 CHED C=C(C)[C@H](N[C@H](C)[C@H](C)OC)c1ccc(F)c(F)c1 480666923 QJGSHMLGKYJJGF-ZETOZRRWSA-N 269.335 3.595 30 20 CHED COc1cccc(O)c1C=Nc1ccc2c(c1)CCC2 812391828 CCVWFDNRUITRHV-UHFFFAOYSA-N 267.328 3.640 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(C3CCCCC3)CC2)C1 815018681 XVARWGFXPCLGOM-YOEHRIQHSA-N 260.425 3.971 30 20 CHED C=CCNc1nnc(SC[C@@H](CC)CC(F)F)s1 657225920 HDQXJLZFYLMCBH-QMMMGPOBSA-N 293.408 3.910 30 20 CHED C=C(C)COc1cc(CNCC=C(C)C)ccc1OC 480283179 NGVONVCNAGAJEW-UHFFFAOYSA-N 275.392 3.706 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)s1)C1CC1 579626757 IIFDMMHFXUUINP-LBPRGKRZSA-N 296.395 3.986 30 20 CHED CC1(C)CC(C(=O)N(CCC#N)c2ccc(F)cc2)C1 578777915 SJXSFZMGFLCYBT-UHFFFAOYSA-N 274.339 3.509 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3cncnc3)cc2)CCC1 573865495 RUNQJQXUJQBDSF-UHFFFAOYSA-N 293.370 3.829 30 20 CHED C#CCCCOC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 727040706 FZSXZAKGNUPFRO-OAHLLOKOSA-N 288.387 3.842 30 20 CHED C=CCOc1ccc(C(=O)N2CCc3cccc(F)c32)cc1 491070384 SSOWHKJUDVOVFK-UHFFFAOYSA-N 297.329 3.593 30 20 CHED CC#CCCCC(=O)Nc1cccc(O[C@@H](C)CC)c1 497659572 JWVHUPQBGXVQLK-AWEZNQCLSA-N 273.376 3.996 30 20 CHED Cc1cccc(C2(C(=O)NCC3(C#N)CC3)CCCCC2)c1 571145027 BUDKZAGGFKLZPV-UHFFFAOYSA-N 296.414 3.617 30 20 CHED C#Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)CC)nc1 728805527 PPLGIGUTPKPIAX-HNNXBMFYSA-N 292.382 3.504 30 20 CHED CCOc1ccc(/C=N/Cc2cc(F)ccc2F)c(O)c1 729641750 VXHGTHAKRUMOLF-DJKKODMXSA-N 291.297 3.688 30 20 CHED C=CCCCCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C 828428299 JSYORUPYHHOXNM-LSDHHAIUSA-N 296.455 3.720 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H](OC)C1 666238528 GSQGSVMHZYSVPP-KZNAEPCWSA-N 273.420 3.721 30 20 CHED CON(C(=O)c1cccc(C#N)c1)[C@H](C)c1ccccc1C 820038160 GOCPZEMQOZJCFK-CQSZACIVSA-N 294.354 3.632 30 20 CHED CC[C@@H]1CCCCN1C(=O)Nc1scc(C)c1C#N 580031695 KBOCNPPEHIUJDZ-LLVKDONJSA-N 277.393 3.725 30 20 CHED CC(=O)c1ccnc(N[C@@H]2CCCc3cc(C#N)ccc32)c1 664023332 MSWXCKGQFKHHPB-QGZVFWFLSA-N 291.354 3.645 30 20 CHED C=CCCCCC[C@@H](C)NCc1coc(CC)n1 825061752 JHATUGGWLHKKHN-CYBMUJFWSA-N 250.386 3.852 30 20 CHED C#CCOc1cccc(NC(=O)c2ccccc2SC)c1 730975726 LJJZKBDSQHQILL-UHFFFAOYSA-N 297.379 3.673 30 20 CHED CCOc1ccccc1/C=C1/Cc2cc(O)ccc2C1=O 588534939 BGUJBVRWJUKZSV-ZROIWOOFSA-N 280.323 3.613 30 20 CHED Cc1cccc([C@H](NC(=O)C#CC2CC2)C(C)(C)C)c1 837457291 XFLOYNVPXLIXRM-KRWDZBQOSA-N 269.388 3.612 30 20 CHED CCC1(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)CC1 901378030 HDQPIBMECQMFFR-UHFFFAOYSA-N 288.174 3.901 30 20 CHED CC[C@H](C)CC=Nn1c(S)nnc1-c1ccccc1 834923516 MHSCVFZRXQCCPT-NSHDSACASA-N 274.393 3.504 30 20 CHED C=CCC[C@H](N[C@H]1CC[C@@H](CCC(C)C)C1)C(=O)O 901690489 OKYKBCGLDBTTNF-ILXRZTDVSA-N 267.413 3.600 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc(F)c2F)c1 588386846 BTVQVBHJLTVROY-HJWRWDBZSA-N 274.266 3.870 30 20 CHED CC1(C)CCC[C@@H](NC(=O)N2CCC(CCC#N)CC2)C1 583141453 PZEVVMILXDGIAF-OAHLLOKOSA-N 291.439 3.681 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1F 731490516 ZATFIILPOOWDGP-GQCTYLIASA-N 282.314 3.965 30 20 CHED Cc1cc(C)c(CC(=O)Nc2ccccc2CC#N)c(C)c1 580005657 RKNVKROLGAIHBT-UHFFFAOYSA-N 292.382 3.859 30 20 CHED CC(C)CC[C@@H]1CCC(=NOC[C@@H]2CCOC2)C1 834973578 PEYMFNOCTPSKTA-ZIAGYGMSSA-N 253.386 3.632 30 20 CHED CCCCCCCC(=O)Oc1ccc(C(=O)NCC)cc1 734777295 NCJCXSIPNUUYRA-UHFFFAOYSA-N 291.391 3.702 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 835286156 JSQXNESTFPNBNW-VIFPVBQESA-N 265.378 3.837 30 20 CHED C#CCC1(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)CCCCC1 836887055 ZLPVHRFVZRZHBA-DLBZAZTESA-N 285.431 3.607 30 20 CHED C=CCC[C@H](C)NC[C@@H]1CCCc2ccc(C(=O)O)cc21 901871401 COKIHPZQPNRHSJ-BBRMVZONSA-N 287.403 3.749 30 20 CHED Clc1ccc(NN=C2CCC[C@@H]2c2ccccc2)nn1 732527012 DKTYQFIJROVXIQ-GFCCVEGCSA-N 286.766 3.866 30 20 CHED C=CC(C)(C)COC(=O)Cc1coc(-c2cccs2)n1 835724664 NWNZJNBZDJHLNC-UHFFFAOYSA-N 291.372 3.701 30 20 CHED C=CCN(CC1CCCCC1)C[C@H](O)c1ccccc1 732666810 DLCHFOUVQQMARV-SFHVURJKSA-N 273.420 3.788 30 20 CHED Cc1cc(/C=C\C(=O)c2sccc2O)cc(C)c1O 588495771 URLQFTYUZMRYDC-ARJAWSKDSA-N 274.341 3.672 30 20 CHED CC(C)c1ccoc1C(=O)N(C)c1ccc(C#N)cc1F 585740516 NXKQFVUKIQCXMN-UHFFFAOYSA-N 286.306 3.690 30 20 CHED C=CC(C)(C)CNC(=O)N(CCC)Cc1ccccc1O 838664277 CZUDHZKJPUIJAB-UHFFFAOYSA-N 290.407 3.526 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H]1COc2ccccc2C1 736284351 UBKQRCYWORUFDF-GFCCVEGCSA-N 298.773 3.875 30 20 CHED Cc1ccc(F)c(/C=C2\COc3ccc(F)cc3C2=O)c1 734981347 QUHAWQFGBRZHNL-KPKJPENVSA-N 286.277 3.932 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(C2CC2)[C@@H](C)C#N)cc1 598128480 MBSKVKKUFONTPU-KGLIPLIRSA-N 284.403 3.646 30 20 CHED C=CCOC(=O)c1cccc(NC(=O)C2CCCCC2)c1 915246768 LHOJRWLWYGKPPJ-UHFFFAOYSA-N 287.359 3.548 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2conc2CC)cc1 834407676 CMCGELBQLHZRGY-YFHOEESVSA-N 285.343 3.922 30 20 CHED CC[C@H](C)[C@H](C(=O)N(C)[C@@H](C#N)CC)c1ccccc1 594098328 ULTTVYGXWZTMCP-IMJJTQAJSA-N 272.392 3.577 30 20 CHED COc1ccc(O)c(/C=N/CC2(c3ccc(F)cc3)CC2)c1 915982070 NYXUQHWZZQWDPH-RGVLZGJSSA-N 299.345 3.691 30 20 CHED N#CCOC(=O)c1ccccc1Sc1ccccc1 745406666 DREXRGQGHWZRRE-UHFFFAOYSA-N 269.325 3.518 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 594087973 NTURBDZGFHBCQY-QLFBSQMISA-N 284.403 3.737 30 20 CHED C=CC(C)(C)c1nc(C[C@]2(C)CC2(Cl)Cl)no1 834860601 STPRSMXBGOVEGE-LLVKDONJSA-N 275.179 3.660 30 20 CHED C=CCN(CCC#N)Cc1nc2cc(C)ccc2s1 599428337 HSNBMGXUSLEAOK-UHFFFAOYSA-N 271.389 3.506 30 20 CHED C=CCc1ccc(OC(=O)C=C2CCCC2)c(OC)c1 917597388 AAXSRTNQZLRTSZ-UHFFFAOYSA-N 272.344 3.830 30 20 CHED CCCCSCC(=O)O[C@@H](C)c1ccc(C#N)cc1 748676624 AKCRTEMBOBZHGY-LBPRGKRZSA-N 277.389 3.696 30 20 CHED CCCCCCCC(C)=NNC(=S)NCC(F)(F)F 746497066 VSRDZZWDAMZBRV-UHFFFAOYSA-N 297.390 3.749 30 20 CHED CCCCCC(=NNC(=S)NC1CC1)c1ccccc1 916282358 QCQHKYHUTINFBL-UHFFFAOYSA-N 289.448 3.598 30 20 CHED CCCc1cccc(CN2CCC[C@H](CC#N)C2)c1 597178443 XEDWFHUODRMILV-MRXNPFEDSA-N 256.393 3.765 30 20 CHED Cc1ccc(CN(C)[C@@H](C#N)c2ccccc2)s1 595304844 DCAJEAPWACREQD-HNNXBMFYSA-N 256.374 3.753 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 593457906 NWSHGVPJGAUADL-NWDGAFQWSA-N 299.399 3.537 30 20 CHED CCCc1ccc(CCCC(=O)N[C@@H](CC)CC#N)cc1 592790614 QXOYEUVUTNAUFX-KRWDZBQOSA-N 286.419 3.770 30 20 CHED C=C[C@H](C)ONC(=O)c1cc2ccc(C(C)C)cc2[nH]1 846543419 JRGYPBPJRCJIQV-NSHDSACASA-N 272.348 3.527 30 20 CHED CC1CCN([C@H](C/N=C/c2ccccc2O)C(C)C)CC1 915113144 OZVOGJCQVYBRMJ-MIQLPHMESA-N 288.435 3.568 30 20 CHED CCN(Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H](C)C#N 595813489 URBZAFPLMRKPKA-NSHDSACASA-N 289.766 3.729 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H]1C[C@@H](C)C(=O)C(C)(C)C1 847943853 SVQNQPZYTFCHJM-VXGBXAGGSA-N 266.381 3.526 30 20 CHED CN(C(=O)NCC(C)(C)C#N)C1CC(C)(C)CC(C)(C)C1 596551279 ZOMNVRSSAWTVOQ-UHFFFAOYSA-N 293.455 3.782 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C#N)cc1)CC2 741849438 VDCHMFJXHOSIFD-YBEGLDIGSA-N 289.334 3.779 30 20 CHED N#Cc1cc(NC(=O)C=C2CCCC2)ccc1Cl 917627722 GLHXMWNTNIGJJM-UHFFFAOYSA-N 260.724 3.651 30 20 CHED C#CC1CCN(C(=O)C[C@H](c2ccccc2)C(C)C)CC1 843707585 XSQKWGPFAQVAQQ-SFHVURJKSA-N 283.415 3.688 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCCC(F)(F)CC1 599728291 LMUQSXWFACHTBM-UHFFFAOYSA-N 293.317 3.520 30 20 CHED CCCCCCCC(=O)N[C@H](C)CC(C)(C)OC 741971376 JESQBOYECCIRNS-CYBMUJFWSA-N 257.418 3.667 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 597176291 HJZIRHQQZOZRHE-JTQLQIEISA-N 288.338 3.893 30 20 CHED C#CCN(Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 746157706 UPXUBTPDMVEQNO-INIZCTEOSA-N 274.367 3.755 30 20 CHED CCCC(C)(C)C(=O)OCc1ccc(CC#N)cc1 844466887 GKBSRCIDQDEWKS-UHFFFAOYSA-N 259.349 3.622 30 20 CHED Cc1ccc(C)c(CON=Cc2c(C)nc3sccn23)c1 742359572 KIPVCUOXECYTPW-UHFFFAOYSA-N 299.399 3.872 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 748315409 VDAPQIXLNWNZNI-JTQLQIEISA-N 291.782 3.750 30 20 CHED CN(C)c1ccccc1-c1ccccc1C1(C#N)CC1 592986282 YSVZINLUVKLQAS-UHFFFAOYSA-N 262.356 3.975 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1cc(C)no1 845263156 SJRNIXANIHAVTA-ZDUSSCGKSA-N 280.412 3.638 30 20 CHED Cc1cnc(CCNc2c(F)cc(C#N)cc2F)c(C)c1 594596259 RAOIIVANUBEOHV-UHFFFAOYSA-N 287.313 3.503 30 20 CHED c1cncc(CON=C2CC[C@H]3CCCC[C@H]3C2)c1 746588824 TZAHVBQQUWCACU-CABCVRRESA-N 258.365 3.945 30 20 CHED C=C1CC(c2noc([C@]3(C)CC(c4ccccc4)=NO3)n2)C1 924122753 UOBUXFRRXNKWIF-KRWDZBQOSA-N 295.342 3.543 30 20 CHED C=C(CC)CNC(=S)N[C@H](CC)c1cccs1 840826268 JIFFNNFSKGUEQQ-LLVKDONJSA-N 268.451 3.630 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cc(C)nn2C)c(C)c1 849247955 HTEHDWXMSFCTBM-VQHVLOKHSA-N 298.386 3.722 30 20 CHED CC(C)(C)c1ncc(/C=C2\Cc3ccc(F)cc3C2=O)cn1 840715072 BEOTWPRDZHPWPS-AWNIVKPZSA-N 296.345 3.736 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(N2CCCC2)cc1 929668103 QBFJJWHJKTYOGY-CQSZACIVSA-N 272.392 3.828 30 20 CHED Cc1ccccc1/C=C1/Cc2c(F)cccc2C1=O 921263591 HGHKHULAPBKCNE-LCYFTJDESA-N 252.288 3.957 30 20 CHED CCc1ccc(C(C)=NNc2cccc(OC)c2)o1 752163165 QVEZFVRANJVLBD-UHFFFAOYSA-N 258.321 3.687 30 20 CHED C#CC[C@@H](/N=C\c1ccc(OCC)cc1O)c1ccccc1 756847432 SGSHENCXHRJPAZ-WRDGEJPTSA-N 293.366 3.974 30 20 CHED Cc1ccc2c(C(=O)N3CCC[C@H](C#N)C3)csc2c1 928218831 YQEXRXBUKDZUCH-GFCCVEGCSA-N 284.384 3.586 30 20 CHED CC(=NOCC(F)F)c1ccccc1C(F)(F)F 758904786 WZEXWPBIIJLOIS-UHFFFAOYSA-N 267.197 3.711 30 20 CHED C=CCCCCN[C@@H](C)c1cccc(Br)n1 926199258 OKXLCAZQKCXFJQ-NSHDSACASA-N 283.213 3.851 30 20 CHED C=CCN(C(=O)N[C@H](CC)Cc1ccc(F)cc1)C(C)C 854282826 WLZZSEORTGEKLN-MRXNPFEDSA-N 292.398 3.753 30 20 CHED C#CCN(C(=O)c1cc(C2CC2)nc2ccccc12)C(C)C 928630811 SODAIEVDLODNSR-UHFFFAOYSA-N 292.382 3.596 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@@]1(c2ccccc2)CC1(C)C 850980068 ZTJOHHXRFFCZMY-YOEHRIQHSA-N 271.360 3.590 30 20 CHED C=C[C@H](C)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 925254722 ABUBFLCBOXPWMA-UXDRXVOSSA-N 284.447 3.736 30 20 CHED CCC(Cc1cccs1)=NN=c1cc[nH]cc1Cl 756849023 NRVWYKNNLLHIJM-UHFFFAOYSA-N 279.796 3.639 30 20 CHED CCOc1cc(/C=C2\Cc3cc(C)ccc3C2=O)ccc1O 921264361 SGTLJXUNJCIGND-OQLLNIDSSA-N 294.350 3.922 30 20 CHED C#CC[C@H](/N=C/c1c(O)cccc1OC)c1ccccc1 756847706 VEDQKJNONRRALJ-HUCUOGIVSA-N 279.339 3.584 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCCC[C@H]1C 851205009 GAWIQCRLDCLIHQ-UPJWGTAASA-N 251.370 3.684 30 20 CHED C#CC(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 754048298 SZQIZOWYOQGIBY-LBPRGKRZSA-N 283.758 3.817 30 20 CHED CCC[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccn1 851203803 FQSQANQPCQJSLJ-ZIAGYGMSSA-N 288.391 3.837 30 20 CHED C=C[C@@H](OC(=O)c1cc(C)n(C(C)C)n1)c1ccccc1 851452969 ZIDGZJLOJGHZBM-MRXNPFEDSA-N 284.359 3.857 30 20 CHED CC(C)c1ncc(/C=C\C(=O)c2ccc(O)cc2)s1 758423023 GPPCORHVCJDADF-FPLPWBNLSA-N 273.357 3.868 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(-c2ncco2)cc1 935176355 VXCVNIWRSIQKQL-GFCCVEGCSA-N 270.332 3.882 30 20 CHED CCCCCON=CC(=O)Nc1ccc(F)cc1Cl 766750085 KZGDMDSYMHZGAT-UHFFFAOYSA-N 286.734 3.610 30 20 CHED C=CCOc1ccc(COC(=O)c2ccccc2F)cc1 763641917 MBRSQSMWVLNGOA-UHFFFAOYSA-N 286.302 3.748 30 20 CHED FC(F)(F)C1CCC(C=NOCc2cccnc2)CC1 767387797 MBAITYIICQURBL-UHFFFAOYSA-N 286.297 3.953 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1ccnn1C)CC2 760229712 OWRWRCOMMIJROO-XNTDXEJSSA-N 280.371 3.756 30 20 CHED C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCCN2c2ccccc21 932488365 LUGZEZVNFOKGNH-GJZGRUSLSA-N 284.403 3.604 30 20 CHED C=C(C)C[C@@H](NCc1c(Cl)oc2ccccc12)C(=O)O 864529294 GUOZFCRUNRYRTO-GFCCVEGCSA-N 293.750 3.595 30 20 CHED Cc1ccc(CC(=O)Oc2ccc(C#N)cc2)c(Cl)c1 762260025 QRXLODNHRMRAGD-UHFFFAOYSA-N 285.730 3.668 30 20 CHED C[C@H](Cc1ccco1)Nc1nc(C(C)(C)C)ccc1C#N 767181553 LXHJNTIWAZAYQW-GFCCVEGCSA-N 283.375 3.887 30 20 CHED N#Cc1ccc(SCC2(Br)CC2)c(F)c1 863307732 DGSBDHYRRREZJY-UHFFFAOYSA-N 286.169 3.717 30 20 CHED C#C[C@H](OC(=O)[C@@H]1CC=CCC1)c1ccc(C)cc1 860965811 QYSVJAGXLJDXFF-CVEARBPZSA-N 254.329 3.569 30 20 CHED C[C@@H]1CCCC(=NNCc2cnc3ccccc3c2)C1 764777392 AXYWJCCRUBNBAB-CYBMUJFWSA-N 267.376 3.891 30 20 CHED Cc1ccc(C=NNc2cc(C(F)(F)F)ccc2F)cn1 764907906 QSNGMAOPLMLMGW-UHFFFAOYSA-N 297.255 3.994 30 20 CHED Cc1nc(Cl)ccc1C(=O)OCCCCC(C)(C)C#N 768797521 VHAAGYNSWQMMTF-UHFFFAOYSA-N 294.782 3.920 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 761359098 AMIRRTNHTXCGAG-UHFFFAOYSA-N 274.360 3.676 30 20 CHED Cc1ccc(F)c([C@@H](C)OC(=O)Cc2ccc(C#N)cc2)c1 764340540 RZTPESFUZGPEGR-CYBMUJFWSA-N 297.329 3.853 30 20 CHED C/C(=C/C(=O)OC1(C#N)CCC1)c1cccc(Cl)c1 762098690 WJPZMYXPPIIPLH-FLIBITNWSA-N 275.735 3.733 30 20 CHED C=CC[C@H](NCc1ncc(Cl)s1)c1ccncc1 769915007 UFPRFBYLFXXAGY-NSHDSACASA-N 279.796 3.599 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)C1C(C)(C)C1(C)C 1116461072 FEDOWMLPQJDERQ-ZDUSSCGKSA-N 286.419 3.749 30 20 CHED C#C[C@H](C)NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 773586268 ADZBSGLRKMHPEZ-WFASDCNBSA-N 290.382 3.624 30 20 CHED CC(C)c1cccc(C(=O)OCc2cccc(C#N)c2F)n1 774969831 WQLPQVOZGYMERL-UHFFFAOYSA-N 298.317 3.573 30 20 CHED N#C[C@H](OC(=O)c1cc2ccccc2[nH]1)C1CCCCC1 776355408 BNZHIKDEYYQQMA-INIZCTEOSA-N 282.343 3.797 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 773137370 PUGGSKVYLLZKSO-RFQIPJPRSA-N 271.495 3.700 30 20 CHED CCc1nc(C)c(C(C)=NNc2ccc3[nH]ncc3c2)s1 779820083 DXYVVIZLNHOEIO-UHFFFAOYSA-N 299.403 3.726 30 20 CHED C=C(CC)COC(=O)[C@H](SC)c1ccccc1 773516188 WHVKATNCEZCXQD-CYBMUJFWSA-N 250.363 3.600 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1CCO[C@H]1C 770752375 OGLXCQCMQFQLMD-GJZGRUSLSA-N 269.429 3.668 30 20 CHED C=C[C@@H](COC)NC(=O)Nc1cccc(-c2ccccc2)c1 1117362725 SJJXAJGZVBOJBE-INIZCTEOSA-N 296.370 3.676 30 20 CHED COc1ccc(NN=CC2([C@@H]3CCCCO3)CCC2)cc1 872359530 ICEBJENGPXKRQI-INIZCTEOSA-N 288.391 3.832 30 20 CHED C[C@H](CCOCc1ccccc1)NCC(C)(C)CC#N 877582759 HDPSEPGMYKYZOY-OAHLLOKOSA-N 274.408 3.511 30 20 CHED N#C[C@H](OC(=O)CCc1ccc(F)cc1)C1CCCCC1 776364189 KZBMNKUOHFNKQP-INIZCTEOSA-N 289.350 3.774 30 20 CHED C[C@@H]1CC[C@H](CC(=O)O[C@@H](C#N)C2CCCCC2)C1 776397526 OSHGQGOJTFDDTN-IPYPFGDCSA-N 263.381 3.828 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1sccc1O 773142924 ITNTYMXAMJHCAG-PLNGDYQASA-N 266.268 3.628 30 20 CHED CC(C)c1cc(C(=O)OCC2(C#N)CC2)c2ccccc2n1 775839682 TYLSOKQLVKWFOI-UHFFFAOYSA-N 294.354 3.819 30 20 CHED COc1ccc(CN2CCC(C#N)CC2)cc1C(C)(C)C 876652324 AYDMSXVQXSSVSO-UHFFFAOYSA-N 286.419 3.728 30 20 CHED N#CCOc1cccc(NC[C@@H]2C[C@@H]2c2ccccc2)c1 779588601 OJLIZQGOGCXLBZ-MAUKXSAKSA-N 278.355 3.805 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC)c2ncccc12 1120592635 LMLKBIPUSHZOSX-UHFFFAOYSA-N 270.332 3.538 30 20 CHED C[C@H](C#N)CN(C)Cc1ncc(-c2cccc(Cl)c2)o1 66469954 IWNVUMONJNRRSF-LLVKDONJSA-N 289.766 3.586 30 20 CHED CSc1cc(C(=O)Nc2cccc(C#N)c2C)c(C)o1 1126997451 PLPGVLKYLRUHHS-UHFFFAOYSA-N 286.356 3.742 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1ccccc1CC#N 887956554 RGXPRMKVNSVILZ-UHFFFAOYSA-N 292.382 3.642 30 20 CHED N#Cc1ccc(C(=O)Oc2cc(F)cc(F)c2)cc1Cl 777614427 KSVNOBQTMXNOPC-UHFFFAOYSA-N 293.656 3.709 30 20 CHED Cc1sc(NC(=O)C=C2CCSCC2)c(C#N)c1C 772219418 KHEVHRHRQWQEMY-UHFFFAOYSA-N 292.429 3.629 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 779840280 YHYONVDOGBUKRZ-BBWFWOEESA-N 275.436 3.997 30 20 CHED Fc1ccc([C@H]2CCCC2=NOC2CCOCC2)cc1 774434956 RXLFGFPRQZLCBO-OAHLLOKOSA-N 277.339 3.645 30 20 CHED C=CC[C@H](C(=O)Nc1cnn(C2CCC2)c1)c1ccccc1 889056838 JLFVUPRXFASNHS-KRWDZBQOSA-N 295.386 3.907 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2Cl)ncc1[N+](=O)[O-] 74727121 CZDXICKOQQRSBJ-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C#CCCCCCC(=O)Nc1cccnc1N1CCCCC1 779858522 HUCKCOKIBMDLIN-UHFFFAOYSA-N 299.418 3.594 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1csc(Cl)c1 787186870 SICHKZBCGNIHII-ONEGZZNKSA-N 266.753 3.638 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1cc(Cl)ccn1 783863112 PCEJXZBRWKAGHX-QWRGUYRKSA-N 251.761 3.959 30 20 CHED Clc1cccnc1NN=Cc1ccc2cnccc2c1 782206689 QMLLDHWWNVZTAV-UHFFFAOYSA-N 282.734 3.729 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)c(C)c1 782201109 PNIHJZLAJZGNPK-GQCTYLIASA-N 286.352 3.959 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1F 1129603146 NLJSJKNODJLFOI-QWHCGFSZSA-N 274.339 3.852 30 20 CHED C[C@@H]1CCC[C@H](C(=O)OCCCC(C)(C)C#N)C1 783854717 JKDKFHAMOHVXBU-OLZOCXBDSA-N 251.370 3.686 30 20 CHED CCSc1cccc(C=NNc2ccc(OC)cn2)c1 780268997 ZNBVWLOTYVQKBM-UHFFFAOYSA-N 287.388 3.648 30 20 CHED C=C(C)CCC(=O)Oc1cccc(NC(=O)C(C)C)c1 1120694001 QQQQSJXLJXIHKP-UHFFFAOYSA-N 275.348 3.543 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)cnc1Cl 785993474 OPJUACMOPNMQNM-LLVKDONJSA-N 279.771 3.616 30 20 CHED C#C[C@H](C)NC(=O)Nc1cccc(Oc2ccccc2)c1 789833919 AZADCTWKDKFGON-ZDUSSCGKSA-N 280.327 3.622 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 890457150 RWKDRUUBBQOIDA-GOSISDBHSA-N 297.402 3.637 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccccc2Cl)no1 899990578 RUZIVDZMINXUAH-GFCCVEGCSA-N 277.755 3.746 30 20 CHED C=CC(C)(C)CC(=O)OCc1coc(C(C)(C)C)n1 890497553 QCJXKLDPBRKCRZ-UHFFFAOYSA-N 265.353 3.618 30 20 CHED C[C@H](NC(=S)Nc1ccsc1)c1ccc(C#N)cc1 790302744 KLWWHLONSFTXEK-JTQLQIEISA-N 287.413 3.667 30 20 CHED C#CCCCCNC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 792129468 WBRJBVSBFZOSMA-QGZVFWFLSA-N 298.430 3.606 30 20 CHED CC(=NNc1cncnc1)c1ccc(-c2ccccc2)cc1 794979098 WFASKWDQAGDRHC-UHFFFAOYSA-N 288.354 3.980 30 20 CHED Cc1c(C(=O)OCC2CC2)sc2ccc(C#N)cc12 796614379 JMGATCBNDLIVBP-UHFFFAOYSA-N 271.341 3.648 30 20 CHED CCc1ccccc1C(=O)N(CCC#N)C(C)(C)CC 189957230 ORLKWZSGUBUYPU-UHFFFAOYSA-N 272.392 3.793 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(OC)cc1F 595059806 PECPDSKPEJJGAS-GFCCVEGCSA-N 283.412 3.794 30 20 CHED Cc1ccc(C(=O)NC(C)(C)c2cccs2)cc1C#N 799338342 KXWFDILKZZPUSL-UHFFFAOYSA-N 284.384 3.593 30 20 CHED C=CCC(C)(C)C(=O)OCc1oc(C(C)C)nc1C 797285659 IFRBRNGOSFMKHN-UHFFFAOYSA-N 265.353 3.752 30 20 CHED CCC/C(C)=C/C(=O)[C@H](C#N)c1cnc2ccccc2n1 792111634 XOIXJKHOFIUKQV-CNELAYHGSA-N 279.343 3.552 30 20 CHED CCCc1sc(C(=O)OCCCC#N)cc1CC 794242344 AWVKJENKDYGQJY-UHFFFAOYSA-N 265.378 3.724 30 20 CHED C=CCN(Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C 750040431 XAEJRDGDXHORQV-UHFFFAOYSA-N 281.783 3.645 30 20 CHED Cc1noc(C2CCC(=NN[C@@H](C)c3ccccc3)CC2)n1 797402354 YDIZMIVKHLSGOE-SFVWDYPZSA-N 298.390 3.742 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C(F)(F)F)c(OC)c1 791063196 JOJLAPBCRKCKJO-UHFFFAOYSA-N 299.292 3.702 30 20 CHED N#C[C@@H](OC(=O)CCCC1CCOCC1)C1CCCCC1 798737152 ZRVVOVGZKWZOJS-MRXNPFEDSA-N 293.407 3.599 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccncc1C 574148231 ZWIRPBIQDOXBJD-UHFFFAOYSA-N 266.388 3.968 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](C)CCCc1ccccc1 791202251 YQETXJKMQHDWKL-DOTOQJQBSA-N 271.404 3.564 30 20 CHED Clc1cccc(NN=C[C@@H]2CCOc3ccccc32)n1 793175493 SRSTWVBLQVSUFU-NSHDSACASA-N 287.750 3.699 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)C1(Cl)CC1 695732913 USMHFQFVGFMTIE-LBPRGKRZSA-N 278.783 3.941 30 20 CHED C[C@H]1CCCCC[C@H]1NCc1ccc(OCC#N)cc1 88506036 MDIRSHHHKWYUGL-WMLDXEAASA-N 272.392 3.647 30 20 CHED C=C[C@H]1CCCCN1Cc1c(F)c(F)c(F)c(F)c1F 785996174 BQCBKVULXQSJJW-QMMMGPOBSA-N 291.263 3.923 30 20 CHED CC1(C)c2ccccc2CCN1CCc1ccc(C#N)cc1 1307866471 XKWMAYVJWKSPRT-UHFFFAOYSA-N 290.410 3.894 30 20 CHED C[C@H]1C[C@@H](N(C)C[C@@H](C)C#N)c2ccsc2S1 1308625549 JCYPUTFRQWRWAT-JBLDHEPKSA-N 266.435 3.765 30 20 CHED N#Cc1cnc(NCCc2cccc3ccccc23)c(F)c1 1162467070 VVJNSUHJKNSNNC-UHFFFAOYSA-N 291.329 3.900 30 20 CHED COc1cc(/C=C2\CCOc3ccccc3C2=O)ccc1F 1319692615 YDADRHXXSQIEAB-JLHYYAGUSA-N 298.313 3.883 30 20 CHED Cc1cc(C=NNc2ccc(C(C)(C)C)nn2)c(C)s1 1319308954 YHLLLXMESLOQEF-UHFFFAOYSA-N 288.420 3.898 30 20 CHED C=CCOC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1317835873 RMVQWONUNYGMFR-UHFFFAOYSA-N 258.361 3.745 30 20 CHED Cc1ccc(N[C@H]2CCc3ccc(C#N)cc32)c(C)n1 1327532909 MSNNXVNAEUNSEW-KRWDZBQOSA-N 263.344 3.670 30 20 CHED Cc1cc(Cl)ccc1C=NNCc1ccc(F)cc1 1320567688 YKHJVXFMIGIYGT-UHFFFAOYSA-N 276.742 3.911 30 20 CHED CCS[C@@H]1CCCC[C@@H]1Nc1cccc(CC#N)n1 1325710608 UKIGJEZXCBSFSY-UONOGXRCSA-N 275.421 3.624 30 20 CHED C[C@H]1CCC[C@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1185306204 PYYVSGPIKRIGAW-SWLSCSKDSA-N 294.358 3.741 30 20 CHED C(=NOC[C@@H]1CCOC1)c1ccc(-c2ccccc2)s1 1320646250 LZNWOUKTBRRCCT-CYBMUJFWSA-N 287.384 3.802 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)CC#Cc2ccccc2)s1 1322556896 DFZCMSJKORSVEG-AWEZNQCLSA-N 297.423 3.546 30 20 CHED C=CCC[C@@H]1CCCN1c1snc(Cl)c1C#N 1336766477 BZQOMROKBUFKKR-SECBINFHSA-N 267.785 3.603 30 20 CHED Cc1ccc(NN=Cc2c(C3CC3)cnn2C)cc1Cl 1330633912 JIRYAJAUDWWROQ-UHFFFAOYSA-N 288.782 3.705 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc2ccccc2c1 1338330199 VTOLCKPCANQPDT-MRXNPFEDSA-N 266.344 3.604 30 20 CHED CC1(C)CCCC1=NNc1ccc(C(C)(C)C)nn1 1339964749 KWYXQNFHRBOHKH-UHFFFAOYSA-N 260.385 3.752 30 20 CHED C#CCCOC(=O)c1csc(-c2ccc(CC)cc2)n1 1344651415 PZLWJFQXBCGOMF-UHFFFAOYSA-N 285.368 3.553 30 20 CHED C=C(CC)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 1346957565 KPPDFOVFKBRGSK-MQMHXKEQSA-N 263.768 3.668 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc2c(c1)oc1ccccc12 1263382577 BCSCNVNEXKEWTN-LLVKDONJSA-N 264.280 3.765 30 20 CHED C=CCN(C(=O)CCCCc1cccc(O)c1)C(C)C 1348783117 IOAQMORMIOZKPR-UHFFFAOYSA-N 275.392 3.528 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)CCn1cccc1 1436734379 XWAKFXNJTFCXLA-UHFFFAOYSA-N 289.338 3.542 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCCC(=O)C(C)(C)C 1514858046 BTHNIESCUJAEAZ-CQSZACIVSA-N 279.424 3.729 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2csc(C#N)c2)c1 1527520720 ZDJIGKCILHOIQE-GFCCVEGCSA-N 284.384 3.728 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2cccc(C#N)c2)[C@@H]1C 1527767727 KCUHQDVBFXFENC-LALPHHSUSA-N 257.333 3.540 30 20 CHED CC(=NNc1c(C)cccc1F)c1cc(C(=O)O)cs1 1602990809 HZJBANOZUZMEKL-UHFFFAOYSA-N 292.335 3.730 30 20 CHED C=C(CC(C)C)C(=O)N[C@H](C)c1cccc(F)c1F 1521295397 SCOZSVDUQIGVRK-LLVKDONJSA-N 267.319 3.744 30 20 CHED N#CC[C@H](OC(=O)Cc1cccc(C2CC2)c1)c1ccco1 1520425087 HVIVJHLMXJIFSK-KRWDZBQOSA-N 295.338 3.898 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)CC[C@@H](C)c1ccccc1 1526586780 CZDNIBNHLMEYNR-ZBFHGGJFSA-N 295.386 3.663 30 20 CHED N#CCCCCC(=O)Nc1cc2ccccc2cc1C(=O)O 1608180088 HAUFOLARKKOYMU-UHFFFAOYSA-N 296.326 3.560 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCNC2(CCC2)C1 115858961 DGNKOQYQHJGXCH-OAHLLOKOSA-N 280.456 3.528 30 20 CHED Cc1cc(NC[C@@H](C)Sc2ccccc2)ncc1C#N 1472712499 GUFILNMWMMTZHC-CYBMUJFWSA-N 283.400 3.854 30 20 CHED Cc1cc(F)ccc1N(CCF)Cc1ccc(C#N)cc1 1616019721 KIQHRUPFSDIKJI-UHFFFAOYSA-N 286.325 3.982 30 20 CHED CCCCCCCCC(=O)NC[C@H](N)c1ccccc1 116308855 AWFFMBXMYFPNNW-INIZCTEOSA-N 276.424 3.553 30 20 CHED C=C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)O 301020093 NIAMEDPOBVVHMA-MRVPVSSYSA-N 263.145 3.725 30 20 CHED CC(=O)c1ccc(NC(=O)c2ccccc2CC#N)cc1C 1641965475 UWLZCVMOPWISFN-UHFFFAOYSA-N 292.338 3.516 30 20 CHED COc1ccc(C#N)cc1COc1cc(F)ccc1C 230402777 ONPQZVGBJSVLQK-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C[C@@H]1C[C@H](CCNc2ccc(C#N)nn2)CC(C)(C)C1 1642645533 LEDACGNXNLDDCM-OLZOCXBDSA-N 272.396 3.613 30 20 CHED N#Cc1cnc(N2CCC[C@H](C3CCCCC3)C2)c(F)c1 1642981298 CTYHREYUECWOIS-HNNXBMFYSA-N 287.382 3.889 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)c2ccc3c(c2)CCC3)n1 1642525539 VERBZKIMGKBJMK-GFCCVEGCSA-N 292.386 3.572 30 20 CHED Cc1ccc(Cc2noc(-c3ccc(C#N)s3)n2)cc1 230995890 DAYXFRDVQQNDMY-UHFFFAOYSA-N 281.340 3.569 30 20 CHED Cc1cc(N2C[C@H](c3ccccc3C)C[C@H]2C)ncc1C#N 1655173826 OTLQKOOFTZZHKD-HZPDHXFCSA-N 291.398 3.953 30 20 CHED C[C@@H]1CC[C@H](NCCc2ccc(C#N)cc2)[C@H](C)C1 1653367493 RGODRJCJZPGGMC-CPUCHLNUSA-N 256.393 3.515 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)NCCc1ccc(C#N)cc1 1586145493 JAHROLBMSKDHBQ-QGZVFWFLSA-N 298.430 3.823 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1c1ccnc(C#N)c1 1651957544 PHGLGFVUEBDFKI-QGZVFWFLSA-N 277.371 3.726 30 20 CHED N#Cc1c(F)cccc1Oc1cccc2c1OCCC2 1651981270 HNHFIQCHAGSMEH-UHFFFAOYSA-N 269.275 3.815 30 20 CHED C[C@@]1(Cc2ccccc2F)CCCN1c1cccc(C#N)n1 1651180489 XHIPQJQTGDMXCT-SFHVURJKSA-N 295.361 3.694 30 20 CHED CCCCCCCCN[C@]1(C)CCCC[C@H]1C(=O)O 1595704802 YRQUUUAAKWRFEL-GOEBONIOSA-N 269.429 3.970 30 20 CHED CC1(C)C(NC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C 1666711503 NFTZVOPRGBYMFQ-UHFFFAOYSA-N 291.782 3.768 30 20 CHED C=C(Cl)Cn1c(CC2CC2)nnc1N(C)[C@H](C)CCC 1760377821 OZDJLDZCZXOLQR-GFCCVEGCSA-N 296.846 3.608 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc2ccccc12 233293475 PBZLDGIUIBCIJN-AWEZNQCLSA-N 266.344 3.763 30 20 CHED O=C(O)c1cc(F)c(/C=C/C(=O)c2ccccc2)c(F)c1 1776114268 KMMCBNUPRALDFQ-VOTSOKGWSA-N 288.249 3.559 30 20 CHED N#Cc1cccc(COC(=O)c2c(F)cccc2Cl)c1 5872169 WMFWHPFPCIZHLL-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CCc1sc(C(=O)N(CC#N)C2CCCC2)cc1C 125033854 KBCHQVOVHIQVMU-UHFFFAOYSA-N 276.405 3.527 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1ccc(C)c(F)c1 15612007 WEWPMMZNDCMFIB-UHFFFAOYSA-N 299.301 3.624 30 20 CHED N#Cc1ccc(-c2nc(-c3ccsc3)no2)cc1Cl 162474692 LNTKCYXPYFYAOY-UHFFFAOYSA-N 287.731 3.990 30 20 CHED COc1ccc(/C=C/C(=O)c2sccc2C)cc1 169601657 OKJHOWJGAZKWAK-VMPITWQZSA-N 258.342 3.961 30 20 CHED CCOCCC1(CNCC(C)(C)CCC#N)CCCC1 151863239 UDFDCNCMFYMGSY-UHFFFAOYSA-N 280.456 3.893 30 20 CHED CSc1ccsc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 152191472 IJUGEJRCIUMJFO-QMTHXVAHSA-N 294.445 3.672 30 20 CHED N#CCC[C@@H](NC(=O)CCc1ccsc1)c1ccccc1 153145129 ZFKJLCAJMRZEAB-MRXNPFEDSA-N 298.411 3.842 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccccc1C(C)(C)C 155498758 PNNKCEKEWOEONE-LBPRGKRZSA-N 273.380 3.798 30 20 CHED CC(C)(C)c1cc(NC(=O)C2CCC2)c(C#N)s1 154290456 KYHAQMYRXSUULH-UHFFFAOYSA-N 262.378 3.656 30 20 CHED Cc1cscc1C(=O)N(C)c1cc(Cl)ccc1C#N 156873306 XNGMHSKUUFZPRE-UHFFFAOYSA-N 290.775 3.858 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1nccc(C#N)c1Cl 233822062 GQFZGHOWXPSRRI-QWRGUYRKSA-N 281.812 3.693 30 20 CHED C=CCCN[C@H](C)Cc1ccc(Br)cc1 235483817 UNLVBNLEPOMUTP-LLVKDONJSA-N 268.198 3.546 30 20 CHED CC(C)(C)CN(CCC#N)c1cc(Cl)nc(C2CC2)n1 848675240 VAHCREDOAOCLOX-UHFFFAOYSA-N 292.814 3.774 30 20 CHED C[C@H](N[C@@H]1CCCc2occc21)c1ccc(C#N)cc1 20204235 YUPJCGFHVQHCGP-BLLLJJGKSA-N 266.344 3.879 30 20 CHED CCCCN(CCCC)CCOc1cccc(C#N)c1 34674400 PWLKGVFAZBIHTG-UHFFFAOYSA-N 274.408 3.839 30 20 CHED C[C@H](CCc1ccco1)Nc1ccc(OCC#N)cc1 35451566 ABMLDIFBOPFNCR-CYBMUJFWSA-N 270.332 3.615 30 20 CHED CC(C)(C)c1nc(CNc2ccc(C#N)cc2Cl)no1 268975672 PQRBZAWYSRGKAD-UHFFFAOYSA-N 290.754 3.504 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F 49120031 WOGKHBDXVMWDIN-CZUORRHYSA-N 260.356 3.756 30 20 CHED CCCC[C@H](C)C(=O)Nc1ccc(C#N)cc1Cl 310664819 ZFNHVWMTSGLDEJ-JTQLQIEISA-N 264.756 3.976 30 20 CHED Cc1nc(N2CCc3ccccc32)c(Cl)cc1C#N 311992833 SLPZXDKUSQKECB-UHFFFAOYSA-N 269.735 3.609 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1cccc(CC#N)c1 313412643 SQDOHTVJBVYRNP-ZDUSSCGKSA-N 268.335 3.935 30 20 CHED N#CCc1cccc(NC(=O)[C@H]2CC3CCC2CC3)c1 313462828 KCONWZVLBMMAOQ-XUJLQICISA-N 268.360 3.517 30 20 CHED N#Cc1cc(F)cc(OCC(=O)c2ccc(Cl)cc2)c1 313650098 JGDNZNBSTDHWIF-UHFFFAOYSA-N 289.693 3.612 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Nc1ncccc1C#N)C2 341912373 DYFJOWAOHIFVMZ-XEZPLFJOSA-N 255.365 3.580 30 20 CHED Cc1csc(Sc2ncc(C#N)cc2Cl)n1 358885951 WDEBCJNVXAJESA-UHFFFAOYSA-N 267.766 3.523 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccccc1SC 285866062 HPNOUNDCHCWEAK-ABAIWWIYSA-N 276.405 3.526 30 20 CHED N#Cc1cc(NCc2ccccc2Cl)ccc1F 51635021 IAPKYNQUAUPNML-UHFFFAOYSA-N 260.699 3.963 30 20 CHED COc1cc(C#N)ccc1Oc1nc2cc(F)ccc2o1 114446202 BJEXLLVHBQIDMB-UHFFFAOYSA-N 284.246 3.639 30 20 CHED N#C[C@H](NC(=O)CCCc1ccccc1)c1ccccc1F 108801820 UMYSJXBXORKQAS-KRWDZBQOSA-N 296.345 3.529 30 20 CHED Cc1nc(Cl)sc1C(=O)N(CCC#N)CC(C)(C)C 177659040 GILHWQQNODHJCJ-UHFFFAOYSA-N 299.827 3.507 30 20 CHED CCN(C(=O)Cc1ccccc1Cl)c1ccc(C#N)cc1 174072668 WUSMYIUPXFENPI-UHFFFAOYSA-N 298.773 3.807 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1cc(C)ccc1C 116971023 GTKRBFROWZJTGD-HUUCEWRRSA-N 274.408 3.970 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1nc(C)c(C)o1 64141763 VHFKKJIOQGBLLD-UHFFFAOYSA-N 283.375 3.575 30 20 CHED CCCc1nc2ccccc2c(C(=O)O[C@H](C)C#N)c1CC 28847417 ROUVMQNZXLSDFJ-GFCCVEGCSA-N 296.370 3.819 30 20 CHED COc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1F 114992295 BXOGVDNSRGMXAL-WUXMJOGZSA-N 286.277 3.796 30 20 CHED N#Cc1cccc(Cl)c1NCc1ccc(Cl)nc1 301372274 PXTOKDSECNLZCR-UHFFFAOYSA-N 278.142 3.872 30 20 CHED Cc1cc(C)cc(N/C(N)=N/CCc2ccccc2C)c1 303789864 VSYYMGCSWNMVQB-UHFFFAOYSA-N 281.403 3.581 30 20 CHED N#Cc1sc(Oc2ccc3c(c2)CCC3)nc1Cl 311157333 OSNPTOXJSYPCSU-UHFFFAOYSA-N 276.748 3.949 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C 171241388 MMGBGZMQNIJFGC-QAPCUYQASA-N 298.430 3.918 30 20 CHED C[C@H](C#N)Oc1ccc(-c2nc3ccc(F)cc3n2C)cc1 178976451 GEUHPBMUEAGZKA-LLVKDONJSA-N 295.317 3.670 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H](C)Cc2ccccc2F)c1 302130680 XZSVIFBERUVBQE-GFCCVEGCSA-N 296.345 3.943 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCc1ccc(C#N)c(F)c1 404741133 BCHRHWJDZKIBIA-CQSZACIVSA-N 290.382 3.776 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#N)s1)C2 176408147 PSMFVCNFLPBUTB-XYOKQWHBSA-N 265.337 3.751 30 20 CHED C=C[C@H](C(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1)c1ccccc1 1352273918 WKCANZNQAUVEJD-OKZBNKHCSA-N 281.399 3.603 30 20 CHED C=CC1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC1 171882499 OGVMQIFWAMTXMK-UHFFFAOYSA-N 280.371 3.720 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)cn2)CC[C@H]1c1ccccc1 301421573 FGLDHFQJPLJNJT-SJLPKXTDSA-N 291.398 3.973 30 20 CHED C=C(C)CSCC(=O)NC1CCCCCCC1 177872624 SLTDFGMRMNKQBQ-UHFFFAOYSA-N 255.427 3.525 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc(-c2ccccn2)c1C 122601847 JVCCHZCYOXPYPI-ZDUSSCGKSA-N 280.371 3.751 30 20 CHED CC(C)(C#N)CCCN1CCO[C@](C)(c2ccccc2)C1 121682088 IRHSDTSQFCLQHD-SFHVURJKSA-N 286.419 3.564 30 20 CHED Cc1cnc(N[C@@H](CCC#N)c2ccccc2)s1 302904513 VDLKKMKAWIRKPW-ZDUSSCGKSA-N 257.362 3.909 30 20 CHED Cc1cc(C)c(CN[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 185802433 PJLYFIZHNKHDLO-HZPDHXFCSA-N 256.393 3.784 30 20 CHED Cc1c(CNc2cccc(F)c2C#N)cccc1[N+](=O)[O-] 36157894 HKLVMJRXFNUXHU-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1Cc2ccccc21)c1ccccc1 188442074 AKHQKXIINMDFDU-PKOBYXMFSA-N 291.394 3.802 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc(C(C)C)nc2ccccc12 183953761 OLIMKCFNOVPIIH-ZDUSSCGKSA-N 295.386 3.780 30 20 CHED Cc1ccc(-c2nnc(SCCCCC#N)n2C)cc1 189771186 ZUDWSHCGPNLCRC-UHFFFAOYSA-N 286.404 3.577 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1cccc(F)c1 182644370 UCHJPWWUZCXUMY-UONOGXRCSA-N 277.383 3.865 30 20 CHED CCCCC[C@@H](C(=O)N(CC)C[C@@H](C)C#N)C(C)C 121790738 FYEPZINZDMQROC-LSDHHAIUSA-N 266.429 3.847 30 20 CHED CCCC1(C(=O)Nc2ccc(C#N)c(F)c2)CCC1 362298933 XATBSVKPCWXJAL-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CC#CCNc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 182308514 FPJAKEDPPDARKL-CYBMUJFWSA-N 288.391 3.708 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(c2ccsc2)CC1 186899016 VDVJZWFVOGAHPW-GFCCVEGCSA-N 278.421 3.602 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccccc2OCC2CC2)C1 185837204 GRSSGHBXEKXXSD-WBVHZDCISA-N 284.403 3.647 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1cccc(O)c1)O2 214007058 FYBXDOVXRJQSRF-CXUHLZMHSA-N 266.296 3.625 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)Cc1ccccc1Cl 410828403 NPDROATXZGGUCQ-JSGCOSHPSA-N 292.810 3.669 30 20 CHED CC(C)c1ncc(C(=O)Nc2ccc(CC#N)cc2)s1 122742982 WHYPRFPALGETPX-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C=CCn1c(SCC[C@@H](C)F)nnc1-c1ccco1 505473162 GTAHXPNRORKXSA-SNVBAGLBSA-N 281.356 3.564 30 20 CHED C=CCC[C@H](C(=O)NCCCCC#N)c1ccccc1 187598455 ZFFKHOZJDBUWJY-INIZCTEOSA-N 270.376 3.546 30 20 CHED Cc1ccc(-c2nc(NC(=O)C(C)(C)C#N)sc2C)cc1 71971237 QSWCTPHQYZCJHE-UHFFFAOYSA-N 299.399 3.915 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1c(C)[nH]c2ccccc12 188015020 RSZGHACMRCTMCS-GOSISDBHSA-N 284.403 3.737 30 20 CHED Cc1ccc(Cl)c(NC(=O)CNc2cccc(C#N)c2)c1 121105191 KWUCRRXCQKHSSK-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1ccc([C@@H](C)N(C)CCCSCC#N)cc1 74981788 IDYVSRYEZBJLGD-CQSZACIVSA-N 262.422 3.635 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc(-c2ccccn2)c1C 122602034 JVCCHZCYOXPYPI-CYBMUJFWSA-N 280.371 3.751 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 185907981 GWMGRFGXHKOYOJ-RHSMWYFYSA-N 296.414 3.876 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCC1 189861690 OFXIQGOQVYRDJP-UHFFFAOYSA-N 284.281 3.785 30 20 CHED CN(Cc1ccccc1)C(=O)c1cccc(SCC#N)c1 79380025 OTPBCRHUEYVRMJ-UHFFFAOYSA-N 296.395 3.574 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H]1CC(C)C 501208219 IWRWNVFBPOSSTL-INIZCTEOSA-N 272.392 3.577 30 20 CHED Cc1ccc2cccc(C(=O)Nc3sccc3C#N)c2n1 180117726 RGENOZPGNXOBEK-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CSCc1cccc(NCc2ccc(C#N)o2)c1 131205968 WTZCLGWDTMEDJX-UHFFFAOYSA-N 258.346 3.626 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccccc1C#N 130080010 ROPQHDBMZIQORY-KRWDZBQOSA-N 265.360 3.536 30 20 CHED C=C1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 335868614 YIZUHBOEFKANQX-UHFFFAOYSA-N 289.766 3.542 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](C)c1ccccc1 131651927 FTNPODIXKKDCAO-UONOGXRCSA-N 294.354 3.720 30 20 CHED COc1ccc(CSCC2(C#N)CCC2)cc1[N+](=O)[O-] 419573469 AWDXMBLGDAAUIA-UHFFFAOYSA-N 292.360 3.530 30 20 CHED Cc1cccc2c(NCC(C)(C)C[C@H](C)O)c(C#N)cnc12 78339953 QIXJRJPTLSGNNH-ZDUSSCGKSA-N 297.402 3.624 30 20 CHED Cc1cccc2nc(COc3ccc(C#N)cc3Cl)cn12 74268136 HGEOMILHMSFAMJ-UHFFFAOYSA-N 297.745 3.747 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(C)c(C)c1Cl 410834491 KQMJUGBKTCKJCF-GFCCVEGCSA-N 278.783 3.721 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccoc1 181574616 UNAFMQMLCPYAJM-CZUORRHYSA-N 254.333 3.975 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1nc2ccccc2n1CC 188311368 ZLZAMYLPIOLMCD-ACJLOTCBSA-N 299.418 3.836 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccccc1C(C)(F)F 411028458 BMGYLFPMZSHBEW-BXUZGUMPSA-N 295.329 3.718 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 44809390 DSXJCDLVUVSMIC-ZDUSSCGKSA-N 280.327 3.967 30 20 CHED CC[C@H](NCC(C)(C)c1cccnc1)c1ccc(C#N)cc1 414329721 IHPHPBJDSVDOTA-SFHVURJKSA-N 293.414 3.972 30 20 CHED Cc1cccc2c1OCC[C@H]2N/C(O)=N/[C@@H]1CCC[C@H]1C 328671154 NHNCAJRVQANHEG-KCPJHIHWSA-N 288.391 3.511 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1nc(C)cs1 192836845 MNMPTIDWWWIZDT-XQQFMLRXSA-N 263.410 3.575 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H](C)CCC)cc1OC 41474782 NABJVPUPFHUYSW-ZDUSSCGKSA-N 291.391 3.521 30 20 CHED CC(=O)c1ccc(OCC#Cc2ccc(F)cc2)c(F)c1 135298500 LHSSLKKSKFLYEV-UHFFFAOYSA-N 286.277 3.598 30 20 CHED CC[C@@H]1CCC[C@H](/N=C(/O)c2snnc2C2CC2)C1 329540871 WXRLMRDWGZVJAI-KOLCDFICSA-N 279.409 3.689 30 20 CHED N#Cc1ccnc(SCc2cc(F)ccc2F)c1 193831719 KELCVLWZGZVLQJ-UHFFFAOYSA-N 262.284 3.524 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)OC(C)(C)C#N 194503060 LNDXZYPTWHDCSG-UHFFFAOYSA-N 280.327 3.516 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C[C@H]2CCCC2(C)C)C1 329319535 GBYANZKKOVWQNC-TUAOUCFPSA-N 266.385 3.524 30 20 CHED Cc1cc(COC(=O)c2cccc(C#N)c2)c(C)s1 194827017 NUHKHJLZMSGPMD-UHFFFAOYSA-N 271.341 3.594 30 20 CHED N#CCCCCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 192107371 VSWHLOZCSSZDCK-LSDHHAIUSA-N 296.773 3.593 30 20 CHED CC(C)CC1(C/N=C(/O)[C@H](C)c2cncnc2)CCC1 329217588 QKSZQUCTXIARRD-CYBMUJFWSA-N 275.396 3.753 30 20 CHED CCCc1nc(CS[C@H](C)c2cccc(C#N)c2)no1 190792314 KJSOGMXPDYCZPU-LLVKDONJSA-N 287.388 3.888 30 20 CHED CC(C)(CCC(=O)N[C@H]1CCC[C@H]1C#N)c1ccccc1 330452878 ZQGJDTHDCPISQL-HOCLYGCPSA-N 284.403 3.553 30 20 CHED CC(C)C[C@H](C)n1nccc1N/C(O)=N/[C@@H](C)C(C)C 330878611 LLMABHXRFLENRQ-STQMWFEESA-N 280.416 3.861 30 20 CHED C#CCCCCC(=O)NCc1ccc2sccc2c1 290944227 AKGBFQVRKMVKSJ-UHFFFAOYSA-N 271.385 3.711 30 20 CHED COCc1cccc(CNc2cccc(Cl)c2C#N)c1 48336965 JHAMPZFEIRTYAP-UHFFFAOYSA-N 286.762 3.970 30 20 CHED Cc1ccc(OCC2(CC#N)CC2)c(Br)c1 88255539 OOGSFKOVKBINIZ-UHFFFAOYSA-N 280.165 3.830 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(c2cc(C#N)ccn2)C2CC2)o1 339974027 QTOYUEQGHSSHAD-LRDDRELGSA-N 293.370 3.839 30 20 CHED Cc1c(NC(=O)CCCCC(C)C)ccc(C#N)c1C#N 421552321 BQBMIHSQZFDGOF-UHFFFAOYSA-N 283.375 3.893 30 20 CHED C=CCNC(=O)N(c1ccccc1)c1ccccc1 148442222 HSHHPGOVDSEFSQ-UHFFFAOYSA-N 252.317 3.720 30 20 CHED COCCOc1ccc(NCC(C)(C)CCC#N)c(C)c1 92134958 NPAGZZRTHIWUTB-UHFFFAOYSA-N 290.407 3.762 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)C(=O)NCC(C)(C)C#N 512783659 NKTDBJRDPWZVRJ-NSHDSACASA-N 293.798 3.592 30 20 CHED C=CCc1cc(CN[C@@H]2CCC[C@H]2C)cc(OC)c1OC 237194670 YCBSSPKGDHMBPX-CZUORRHYSA-N 289.419 3.711 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N[C@H]1CCC[C@@H]1C#N 331127188 OZVUSLFNGNHUTJ-OAGGEKHMSA-N 276.424 3.791 30 20 CHED Cc1ccc([C@@H](C)NCc2cccc(OCC#N)c2)s1 49160254 URGSWCQLOYMDQU-CYBMUJFWSA-N 286.400 3.810 30 20 CHED C[C@@]1(C/N=C(/O)Nc2ccc(C3CCC3)cc2)CCCO1 330216148 MWGRRNYKNOOKBQ-KRWDZBQOSA-N 288.391 3.849 30 20 CHED C[C@H](/C(O)=N/[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cncnc1 330235935 ABMPEVICXKJGCP-XZBIERFOSA-N 287.407 3.751 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccoc1C(C)C 335748639 HHGOATBEOPMGPQ-UHFFFAOYSA-N 268.316 3.835 30 20 CHED N#Cc1ccc2nc(N3C[C@H]4CCCC[C@H]4C3)ccc2c1 92920049 DEVZHJKETCDBPL-IYBDPMFKSA-N 277.371 3.733 30 20 CHED CCC1(NC(O)=Nc2ccccc2C(C)C)CCOCC1 330703201 KURZRGLDPHKRGR-UHFFFAOYSA-N 290.407 3.904 30 20 CHED C[C@]1(C(O)=Nc2cnc3c(c2)CCCC3)C[C@H]2CC[C@H]1O2 330050803 MJCGIBCHEAVLOZ-UNEWFSDZSA-N 286.375 3.506 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@@H](SC)C1)C1CC1 438990109 HPXPCDFKGUDIFM-KFWWJZLASA-N 253.455 3.995 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)NCC1(CC#N)CC1 431172556 KONXXSFHQYFQJA-OAHLLOKOSA-N 276.424 3.793 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC(C)(C)CC(C)(C)C1 338129196 VMOALNJQDWHKLK-UHFFFAOYSA-N 284.403 3.765 30 20 CHED CC1(C)CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 90801957 KADUOISYWUGNHA-UHFFFAOYSA-N 268.282 3.813 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1ccncc1CC 432354071 SLAVIDUSXOHTRM-CYBMUJFWSA-N 289.423 3.607 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1ccccc1CC#N 335138422 HSKXSLPPFSQMMP-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC(CC)(CC)C1 432563143 QAEZWTWFXLUPNM-UHFFFAOYSA-N 266.429 3.810 30 20 CHED CCC[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 90180587 ZWUSTBQWHYWYSZ-LBPRGKRZSA-N 269.310 3.835 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CCC)Cc1ccccc1 436314887 NTLPHLUMNWPKIS-OTWHNJEPSA-N 287.447 3.969 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1cccc(C)n1)c1ccccc1 340216227 CNUPTYCESQYJRX-INIZCTEOSA-N 294.398 3.708 30 20 CHED CC(C)(NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 520676891 NEHAJYARLVLCDJ-UHFFFAOYSA-N 292.382 3.542 30 20 CHED COc1ccc(F)cc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 248744788 FIWLADCLMTYART-OUCADQQQSA-N 276.355 3.567 30 20 CHED N#CCCCCSc1ccc(Cl)cc1C#N 601912455 MVRPFOFHPIFXMF-UHFFFAOYSA-N 250.754 3.998 30 20 CHED C=CC[C@H](C)Nc1ncnc2sc3c(c12)CCC3 342522225 SWSVWDWRMWHZAX-VIFPVBQESA-N 259.378 3.557 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 431753524 ODGUQXNUPXMMGD-BFQNTYOBSA-N 290.382 3.713 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cnc2ccccn12 255134534 BINDWLMYOHPKBY-FPLPWBNLSA-N 292.338 3.547 30 20 CHED COc1ccc(O)c(/C=N\CCc2cc3ccccc3[nH]2)c1 255620510 IPUWLZFRCICQPT-UNOMPAQXSA-N 294.354 3.544 30 20 CHED N#Cc1ccc(Cl)cc1NCCOc1ccc(F)cc1 609494915 AVEMVIXJQONQSX-UHFFFAOYSA-N 290.725 3.842 30 20 CHED COc1cc(C#N)ccc1CN1C[C@@H](C)CCC[C@@H]1C 347226825 AUVWGPMMKKLODT-KBPBESRZSA-N 272.392 3.577 30 20 CHED CC(=O)c1ccc(Sc2ccc(C#N)cc2)c([N+](=O)[O-])c1 345251022 GPSBSHMOKPDXEI-UHFFFAOYSA-N 298.323 3.820 30 20 CHED Cc1ncc([C@H](C)NCc2ccc(Cl)cc2C#N)s1 602956271 NWZLPWTVBDKHAY-VIFPVBQESA-N 291.807 3.827 30 20 CHED CC[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1 341210786 NVOLWRPZUWQDRS-QGZVFWFLSA-N 268.335 3.938 30 20 CHED CC1(C#N)CCC(NCCc2nc3ccccc3s2)CC1 449321469 SRDYQFGJMKAPBI-UHFFFAOYSA-N 299.443 3.901 30 20 CHED C[C@H](CCC#N)CNc1cccc(Br)c1 602492292 GDTBUFNRANXMAD-SNVBAGLBSA-N 267.170 3.801 30 20 CHED C=CCCCCCN(C)c1ccnc2ccncc12 444088192 MZAQJRCJJLWNJC-UHFFFAOYSA-N 255.365 3.812 30 20 CHED C[C@H](CC1(C#N)CCOCC1)Nc1cccc(Cl)c1 602486127 CCQXHFHXVGRPMS-GFCCVEGCSA-N 278.783 3.851 30 20 CHED CCCSc1cccc(NC(=O)C2(C#N)CCCC2)n1 601704831 LAHIQPSSYPKODI-UHFFFAOYSA-N 289.404 3.606 30 20 CHED Cc1ccc(NC(=O)N2CCC(F)(C#N)CC2)cc1Cl 353353827 OOJUZIPLMNNCPG-UHFFFAOYSA-N 295.745 3.508 30 20 CHED CC[C@@H](C)CC(=O)Nc1cccc(C#Cc2ccccn2)c1 357958272 ASFLMEAKCIIZOA-OAHLLOKOSA-N 292.382 3.856 30 20 CHED Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cs1 601877343 OKDIWNVJSYWYDV-LSDHHAIUSA-N 282.368 3.670 30 20 CHED C=C(CC)CN[C@@H](C)CC(=O)Nc1ccc(C)cc1C 449733104 GHGWDTFEDUCKTH-HNNXBMFYSA-N 274.408 3.576 30 20 CHED CCC[C@H](C)CC(=O)Nc1cc(C#N)ccc1NC1CC1 355392684 MBIXLRBNLYSFKL-LBPRGKRZSA-N 285.391 3.897 30 20 CHED Cc1ccc(C[S@@](=O)CCCCC#N)c(Cl)c1 447114379 QVDYCBGUZQPSMZ-KRWDZBQOSA-N 269.797 3.591 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCCC(C)(C)CC1 350803989 WKHCGWHITWRCSD-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C[C@H](NC(=O)c1cc2occc2s1)c1ccc(C#N)cc1 609854676 TVYJYELPYCPKSH-JTQLQIEISA-N 296.351 3.857 30 20 CHED C[C@H]1CCCC[C@H]1OCCSc1ccc(C#N)cn1 603724627 JSJXFQKATJQJOY-GXTWGEPZSA-N 276.405 3.641 30 20 CHED C=CCn1c(C(C)C)nnc1N(CC)Cc1cccs1 350729064 IKJZDJTZLDCGLB-UHFFFAOYSA-N 290.436 3.676 30 20 CHED CC(C)CC(=O)Nc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 442877142 QYIOIFJQIZCKTK-CJNGLKHVSA-N 285.391 3.775 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1C1CCCCC1)OCC 535123570 RPIDGGYJDUSVPO-IAGOWNOFSA-N 293.451 3.929 30 20 CHED N#CC1(CCCSCCC2CC2)CCOCC1 358489658 XZFORXGBJDAPGO-UHFFFAOYSA-N 253.411 3.620 30 20 CHED CC(C)(NCc1ccc(C#N)cc1F)c1cccs1 532567313 GGFAFJQHYKRKHH-UHFFFAOYSA-N 274.364 3.784 30 20 CHED C=CCCC1(C(=O)Nc2ccc3ccn(C)c3c2)CC1 354925503 GHOFMBSBGHUGRY-UHFFFAOYSA-N 268.360 3.863 30 20 CHED CC(C)(C)c1cnc(CN2CCC[C@](C)(C#N)C2)s1 619219674 JPYLUPRHULWMJB-OAHLLOKOSA-N 277.437 3.566 30 20 CHED COc1ccsc1/C=C/c1nc2ccccc2n1CC#N 352021854 SAYRMRJWLHIZPL-VOTSOKGWSA-N 295.367 3.800 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)NCC(C)(C)CCC#N)CC1 355252841 HYXPWHWCZHSPNJ-UONOGXRCSA-N 279.428 3.584 30 20 CHED C=CCOc1c(Cl)cc(Cl)c(Cl)c1C(=O)OC 532844436 FPYUBKQKUPTTTN-UHFFFAOYSA-N 295.549 3.998 30 20 CHED C[C@]1(N[C@H]2CC[C@@H](C#N)C2)CCCc2ccccc21 442831045 UXHKOZWLTQPLBQ-KMFMINBZSA-N 254.377 3.520 30 20 CHED C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1cccs1 619582718 VDXBBEXCQBAGJA-ZFWWWQNUSA-N 298.411 3.698 30 20 CHED Cc1ccc(C(C)(C)NCCCC(C)(C)C#N)cn1 353571273 PAFGIHBFJKXRGU-UHFFFAOYSA-N 259.397 3.545 30 20 CHED COCCC(C)(C)CN[C@H]1CCCc2cc(C#N)ccc21 612829406 BTMRXENQPRZLTG-KRWDZBQOSA-N 286.419 3.588 30 20 CHED CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H](C)C(C)C 538267997 YUIZEZHNMVCRIB-NSHDSACASA-N 278.783 3.718 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 268293270 FAIJRBXTBKZOKI-LRDDRELGSA-N 284.384 3.586 30 20 CHED CC(C)CC1(C(=O)N[C@H](C)c2cccc(C#N)c2)CCC1 610684943 FFYDGSFYBTXXPE-CQSZACIVSA-N 284.403 3.952 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCOCC2(CCCC2)C1 369962843 ACARQHRCNJKTMU-OAHLLOKOSA-N 284.403 3.512 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCc1cccc(F)c1F 539388809 SXGXXZRWURXUEH-LBPRGKRZSA-N 296.361 3.551 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)/C=C/c1cc2ccccc2o1 267184103 CDXASOIJMFGHDU-HVHJFMEUSA-N 282.343 3.500 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(C#N)c1 538267758 PYYPRTRKNUJSHD-HNNXBMFYSA-N 290.794 3.862 30 20 CHED COc1ccccc1[C@H]1CCCCN1CC1(C#N)CC1 611429809 YARQKDIDVRTKSL-OAHLLOKOSA-N 270.376 3.526 30 20 CHED N#Cc1ccccc1CN[C@H](c1cccs1)C1CC1 538264777 XQMLLKXMKUXOHJ-INIZCTEOSA-N 268.385 3.861 30 20 CHED CC#CCCCC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 458030124 PXKVVCZLAPBMRK-QZTJIDSGSA-N 283.415 3.975 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1ccccn1 532334383 JCWBNEBSNBXAOE-MRXNPFEDSA-N 270.376 3.514 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 612239026 FBUHTMJOJREJAY-BZUAXINKSA-N 276.424 3.729 30 20 CHED C[C@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1CCC[C@@H](C)C1 454968773 WIZRFIGOBVFCBE-QLFBSQMISA-N 293.455 3.830 30 20 CHED COC1(CN(CCC#N)CCC(C)C)CCCCC1 361567791 VJZZSKZWCIACOA-UHFFFAOYSA-N 266.429 3.597 30 20 CHED C=CCC[C@H](c1ccccc1)N1C(=O)[C@@H]2CCCCN2C1=O 272062214 CMYGLBCVBPRWEK-CVEARBPZSA-N 298.386 3.511 30 20 CHED Cc1ccc(-c2n[nH]c(SCC3(C#N)CCC3)n2)cc1 450690624 VYUKHMYXEGNQHI-UHFFFAOYSA-N 284.388 3.566 30 20 CHED C=CCC[C@@H](C(=O)N=c1cc(C)[nH]cc1C)c1ccccc1 547959195 DVDIJERSZLSINB-QGZVFWFLSA-N 294.398 3.809 30 20 CHED C=CCN(C)C(=O)C1(c2cccc(Cl)c2)CC(C)C1 450792818 OITAWURGUZTXRW-UHFFFAOYSA-N 277.795 3.652 30 20 CHED C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)C1CCC1 457660068 MAVCCUBPZWZEHA-CJNGLKHVSA-N 270.376 3.584 30 20 CHED C=C(C)CCNC(=O)C[C@@H](c1ccccc1)C(F)(F)F 452727728 ZVTOLQOYTADMJH-ZDUSSCGKSA-N 285.309 3.805 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 361219535 FJZVRPSDBFPXAU-MLGOLLRUSA-N 295.329 3.507 30 20 CHED CC(C)C(C)(C)CNC(=O)N[C@H](C)c1cccc(C#N)c1 614997577 MAHWQRAITVEBTF-CYBMUJFWSA-N 287.407 3.601 30 20 CHED C[C@H](C#N)CN[C@H]1CCC[C@@H]1CCc1ccccc1 545948489 UQRYILSSBDCUEU-OIISXLGYSA-N 256.393 3.537 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 452720715 DXWZVCBPJFSSTD-XDQVBPFNSA-N 273.376 3.589 30 20 CHED COc1cccc(CSCc2ccc(C#N)c(C)c2)n1 362462533 CIOMHCMQPPFNNX-UHFFFAOYSA-N 284.384 3.704 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cc(Cl)ccc1OC 453364881 QKODBWGJDKKJSA-KFWWJZLASA-N 295.810 3.733 30 20 CHED C=CCC1(NC(=O)[C@H]2CCO[C@H](CCC)C2)CCCCC1 456368004 OLGAKQWYXWXMGY-JKSUJKDBSA-N 293.451 3.977 30 20 CHED C=CCN(C(=O)N[C@@H](C)CCC(C)(C)C)C1CC1 540110863 LPZVYBSSSFUARP-LBPRGKRZSA-N 252.402 3.561 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 360373675 GGZWYGJUBVSMKL-OAGGEKHMSA-N 270.376 3.584 30 20 CHED C=CCC1(CN[C@H]2CCCc3c2cnn3C)CCCC1 453357331 IOWDXOWISAHCJZ-HNNXBMFYSA-N 273.424 3.524 30 20 CHED CC[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(C#N)cc1 365204998 RDVATSRBUIHAFF-XDNAFOTISA-N 298.430 3.803 30 20 CHED C=C(C)CN(C)C(=O)c1oc2ccccc2c1CC 450473349 ZIVNTMFLPMAFOR-UHFFFAOYSA-N 257.333 3.643 30 20 CHED Cc1cccc(Cl)c1CN(C)CC(C)(C)C#N 451065633 ROLUZKGZCTYNBD-UHFFFAOYSA-N 250.773 3.630 30 20 CHED CCN(C(=O)[C@H](C)C1CCC1)[C@@H](C)c1ccc(C#N)cc1 457472526 QRAKQNBMWDIMIU-KGLIPLIRSA-N 284.403 3.904 30 20 CHED C=CCOCCCN1CCC(OCC2CCCCC2)CC1 548095079 MPEGMQYJFYZZCA-UHFFFAOYSA-N 295.467 3.640 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CCCC)C1CCC1 464950830 KMXYDWLXGKZZBY-OCCSQVGLSA-N 252.402 3.609 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2nccc(C)n2)c1 468001440 UQGCUFIAQDDNFD-SFHVURJKSA-N 295.386 3.993 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 620861422 PMDQRQANDYIRRT-NSHDSACASA-N 297.345 3.593 30 20 CHED C=CCCCNC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C 544630549 MHILUYLAAACKKW-DOTOQJQBSA-N 286.419 3.930 30 20 CHED COc1ccc(-c2nc3cc(Cl)ccc3n2C)cc1C#N 463917296 XUJUSCSLAQIQJO-UHFFFAOYSA-N 297.745 3.774 30 20 CHED C#CCCCC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 375418823 ZOGCLMJCTKBWQH-OAHLLOKOSA-N 287.378 3.725 30 20 CHED C=CCCC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 280106859 XORGGLZTQKSPIB-ZFWWWQNUSA-N 261.340 3.544 30 20 CHED C=CCN(C(=O)Cc1cc(C)cc(C)c1)C(C)(C)C 622946580 XXXMKAXXYDKTNR-UHFFFAOYSA-N 259.393 3.659 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCCc2cccs2)cc1 280085883 AKZHUCQHNVOSGK-UHFFFAOYSA-N 298.411 3.522 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 464748780 AOCLJGWQMRMRPO-MLGOLLRUSA-N 290.382 3.931 30 20 CHED C=CCCCCNc1ccc(CCC(=O)OC)cc1 556414404 XRSHQCCNLUCWJT-UHFFFAOYSA-N 261.365 3.560 30 20 CHED CC(C)CC[C@H]1CCCCN1c1cc(C#N)ccn1 550785912 GGZAARXKBBEIGU-OAHLLOKOSA-N 257.381 3.748 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 464648218 MPJUARYJQJDKMS-CYBMUJFWSA-N 294.329 3.996 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCc1ccc(F)cc1F 557425976 DDEWNMJAKJDZPA-LBPRGKRZSA-N 296.361 3.551 30 20 CHED CC(C)CN(CCOC1CCC1)c1ccc(C#N)cc1 554241471 KJOJLSVZTZKDHD-UHFFFAOYSA-N 272.392 3.590 30 20 CHED C=C(C)CSCC(=O)N(C)Cc1ccc(CC)cc1 477009716 KUDMSBYULCOQSZ-UHFFFAOYSA-N 277.433 3.517 30 20 CHED N#CC1(CSCCOc2ccc(Cl)c(F)c2)CC1 479556410 VKKFKTLBDXYWQR-UHFFFAOYSA-N 285.771 3.895 30 20 CHED Cc1nsc(N[C@H]2CCc3ccc(F)cc32)c1C#N 553074450 IPOUPRAYEHPMFV-ZDUSSCGKSA-N 273.336 3.562 30 20 CHED N#Cc1cc(N2CCC[C@@H]2CCCc2ccccc2)ccn1 553483316 PZPYPTAPQQRVMB-SFHVURJKSA-N 291.398 3.945 30 20 CHED CCc1c(C(=O)N(CCC#N)CC2CC2)oc2ccccc12 294682902 UASGCXRAXDDYIS-UHFFFAOYSA-N 296.370 3.761 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc2occ(C)c2c1 296561856 CPUDABCQLHYGAJ-UHFFFAOYSA-N 283.331 3.675 30 20 CHED C=CC(C)(C)C(=O)Nc1ccccc1Br 297599248 UFILAMKHGOGZFF-UHFFFAOYSA-N 268.154 3.600 30 20 CHED CC(C)Oc1nnc(SCC2(C#N)CCCC2)s1 806587543 ASDOCUVNYZUBPG-UHFFFAOYSA-N 283.422 3.501 30 20 CHED C=CCC[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1ccccc1 292954816 OOZYXYOCIMDXTJ-HNNXBMFYSA-N 298.434 3.899 30 20 CHED C[C@@H]1/C(=C\c2ccc(F)nc2)C(=O)c2ccccc21 809157882 WNKIVJTYICUEGS-CEITULEQSA-N 253.276 3.604 30 20 CHED C[C@@H](CCC#N)N[C@@H](c1ccccc1)c1nccs1 298611559 MGFIRJKTMXQFNJ-JSGCOSHPSA-N 271.389 3.514 30 20 CHED N#CCCCC(=O)Nc1cccc(N2CCCCCC2)c1 292263927 WIFUPDXRWGKQEC-UHFFFAOYSA-N 285.391 3.699 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C)c(C)cc1Cl 295970352 IYCPKWXQIQSXTJ-CQSZACIVSA-N 264.756 3.835 30 20 CHED CCC[C@H](OC)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297934069 ZGHUJWIYEIDXOU-NSHDSACASA-N 294.420 3.671 30 20 CHED CC1(C)C[C@H](OC(=O)CCCC#N)c2ccccc2O1 291883162 WAHYDBHJVGHKCZ-AWEZNQCLSA-N 273.332 3.526 30 20 CHED COc1cc(N[C@H]2CCC[C@@H](C#N)C2)c(C)cc1C 475666466 CODDGHIJTBHBOZ-KGLIPLIRSA-N 258.365 3.806 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1ccccc1 473410853 FASCNUSZUNHJMO-KBPBESRZSA-N 293.370 3.872 30 20 CHED Cc1ccc([C@@H]2CCN([C@H]3CC[C@@H](C#N)C3)C2)c(C)c1 294221664 SKQINADZHHAXSG-ZACQAIPSSA-N 268.404 3.785 30 20 CHED C=C(CNC(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 805250391 RGXAHLRLBAGXFX-AWEZNQCLSA-N 269.344 3.521 30 20 CHED C=CC(C)(C)c1nc(-c2ccnc(OC3CCC3)c2)no1 567574444 BTHAUTOLXQFFMD-UHFFFAOYSA-N 285.347 3.527 30 20 CHED C[C@@H](C#N)OCCSCc1csc(C2CCCC2)n1 802749621 IFALECDDWVMIAY-NSHDSACASA-N 296.461 3.963 30 20 CHED COc1ccc([C@H](Cc2ccccc2)NCCCC#N)cc1 290115139 KDJGULMLSTXUHJ-IBGZPJMESA-N 294.398 3.872 30 20 CHED C#Cc1ccc(CN[C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1 809657159 WIWHLHQFDXAVAW-PMACEKPBSA-N 293.410 3.516 30 20 CHED CCCC[C@H](CCC)CNC(=O)[C@@](C)(C#N)CC 560576233 KCDCTFFWJXIWGO-DZGCQCFKSA-N 252.402 3.649 30 20 CHED N#CCCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)cc1 563467288 BDWPUBYRKHEERO-HEHGZKQESA-N 286.350 3.509 30 20 CHED C=C(C)CN1CCC(NCCC2CCCCC2)CC1 483303216 FDBJZSHLYSPVOG-UHFFFAOYSA-N 264.457 3.587 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)c(C)c1)c1nccs1 488245884 CEASAFGXHRKFPF-MRXNPFEDSA-N 285.416 3.738 30 20 CHED C=C(C)C(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 819952173 MSYWQNCLFZJAFH-LLVKDONJSA-N 268.316 3.606 30 20 CHED C[C@@H]1C[C@H]1CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 563490192 BKGZUZJJPVKDAV-MFKMUULPSA-N 297.383 3.666 30 20 CHED Fc1ccc(C=NOC/C=C\Cl)c(Br)c1 811671663 JKTIKTMNJDHOLS-YHHAPTPFSA-N 292.535 3.691 30 20 CHED CCCCCCCN1CC[C@@H](n2cc(Cl)cn2)C1 810133260 GJHBVLLWNLXXHC-CQSZACIVSA-N 269.820 3.754 30 20 CHED FC(F)(F)CCON=C1CCOc2c(Cl)cccc21 814909339 HTPJPQTTXQYRRE-UHFFFAOYSA-N 293.672 3.796 30 20 CHED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCCCCCC1 812180476 JXQQLFLOJHZAJE-UHFFFAOYSA-N 299.422 3.620 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 483414199 CYKVGCZPBQQFSJ-OAHLLOKOSA-N 290.794 3.600 30 20 CHED CCc1cnc(C=NNc2ccc(F)cc2C)s1 814885050 KOZOXKNTTYKCLQ-UHFFFAOYSA-N 263.341 3.599 30 20 CHED C[C@H]1C(=NNc2ccc(Cl)cc2)CC[C@H]1CC(=O)O 814683749 OGBAOHPUHBTXNH-ZJUUUORDSA-N 280.755 3.629 30 20 CHED C=CCCCCCCCNC(=O)c1ccn(C(F)F)n1 810766489 IQFJGUGBYJDSCY-UHFFFAOYSA-N 285.338 3.535 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H](C(C)C)CC1 488953512 VOJAPXUIMYINHM-HNNXBMFYSA-N 274.408 3.572 30 20 CHED CCOc1ccc(NN=C(C)c2cccc(C#N)c2)cc1 814984602 RBPVFADVZULNCY-UHFFFAOYSA-N 279.343 3.793 30 20 CHED C=CCCCCCN1CCC[C@H](CC(=O)OC(C)C)C1 488333564 VASUDTVVSUNLMX-MRXNPFEDSA-N 281.440 3.787 30 20 CHED Clc1cccc2c1OCCCC2=NOCC1CC1 814244471 VHPBNPFPCKLVIY-UHFFFAOYSA-N 265.740 3.643 30 20 CHED CCCCCCCCC(=O)N[C@]1(C#N)CC1(C)C 813302787 FDFDNABNIPAUQE-HNNXBMFYSA-N 250.386 3.545 30 20 CHED Cc1nc(N(C)[C@@H](C)c2ccc(F)cc2)ccc1C#N 487904054 BDNJOAXFQLHAEW-LBPRGKRZSA-N 269.323 3.598 30 20 CHED N#CCCCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 576028113 ZHQNRLGIQGHFFQ-CQSZACIVSA-N 288.782 3.657 30 20 CHED C/C=C(/C=C/C(=O)N[C@@H](C#N)c1ccc(CC)cc1)CC 813677980 KSURXWMPRAKDBY-NVSDYCSSSA-N 282.387 3.842 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(C#N)cn1 577506487 XROZJLRTOQMXDP-ZFWWWQNUSA-N 271.408 3.600 30 20 CHED C=C[C@H]1CCCCN1C(=O)CSCc1cccc(C)c1 488842574 KQBAYRCOEHYBFV-INIZCTEOSA-N 289.444 3.795 30 20 CHED C/C=C(/CC)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813217799 PDOIQFAGQQUNQP-IMAIQDNJSA-N 282.265 3.633 30 20 CHED C=CCn1c(SCCC2CCC2)nnc1C1CC1 657231003 YVUHQQRFYJUXFH-UHFFFAOYSA-N 263.410 3.624 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H](F)C2)CCCC1 578014259 GWLJYLGLTSZUNJ-CHWSQXEVSA-N 253.361 3.520 30 20 CHED C=CCC(C)(C)C(=O)NCCc1cccc(OCCC)c1 483467195 HPTCDDMGBWWWPM-UHFFFAOYSA-N 289.419 3.736 30 20 CHED C=C1CCN(Cc2cn(-c3cccc(C)c3)nc2C)CC1 651633046 ADYJZEFTTDCUGQ-UHFFFAOYSA-N 281.403 3.641 30 20 CHED CCCC[C@@H](COC)Nc1cc(C#N)ccc1OCC 484704709 NYGFBUAJIFDEQH-AWEZNQCLSA-N 276.380 3.574 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C\c1ccccc1 729431621 AQJXTIPAABJSNH-QXMHVHEDSA-N 284.403 3.878 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(OC)c(OC)c1C 573132423 WZAGETLVFVZVMT-CYBMUJFWSA-N 277.408 3.847 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)C[C@H](O)c1ccco1 824057278 DGGKTQHIKFKXFR-ZNMIVQPWSA-N 265.397 3.816 30 20 CHED C=CCC1(NC(=O)c2ccc(O)c(F)c2)CCCCC1 654020825 HKRCZTBQTDXUOU-UHFFFAOYSA-N 277.339 3.540 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cc(Cl)cc(Cl)c1 493897573 PFELYEVJMOJICJ-UHFFFAOYSA-N 298.173 3.927 30 20 CHED N#Cc1ncccc1S[C@@H](C#N)C1CCCCC1 571224495 ABVYCNCERDHOAJ-AWEZNQCLSA-N 257.362 3.518 30 20 CHED CC(Cc1cccs1)=NNc1oc(C(C)C)nc1C#N 729638964 OHWMWLKLGCIUGC-UHFFFAOYSA-N 288.376 3.762 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CCCC(C)(C)C 729026324 NXUODYWNFXTBBW-AWEZNQCLSA-N 297.439 3.559 30 20 CHED Cc1ccccc1C1(C/N=C/c2ccccc2O)CC1 726428500 BWROSCAQQCCISU-XDHOZWIPSA-N 265.356 3.851 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc(C(=O)N(C)C)cc1 495062120 ABEZQIOGCOWHFN-LSDHHAIUSA-N 288.435 3.784 30 20 CHED CC(CCc1cccc(C)c1)=NNc1ccc(C)nn1 729938247 RIIZSJJAWQFRDN-UHFFFAOYSA-N 268.364 3.514 30 20 CHED C[C@H](NCCOc1ccccc1C#N)[C@H](C)c1ccccc1 495404322 YJHVJIOLGOJGES-HOTGVXAUSA-N 294.398 3.719 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc(CN(C)C)c2)c1 821021689 KOVUFLAELKQZGK-KHPPLWFESA-N 295.382 3.653 30 20 CHED C=CCCC(C)(C)NC(=O)NCCc1sccc1C 664583302 WBVAXUGAHYPVBD-UHFFFAOYSA-N 280.437 3.643 30 20 CHED Cn1cc(/C=C\c2ccncc2C#N)c(-c2cccs2)n1 585818741 VWFIDCBEAQDNAR-PLNGDYQASA-N 292.367 3.586 30 20 CHED Cc1ccc2oc(C(=O)N(CC#N)c3ccccc3)cc2c1 495546513 IDFWUXINLWCNPV-UHFFFAOYSA-N 290.322 3.912 30 20 CHED CCCC[C@@H]1CCCC1=NNC(=S)Nc1cccnc1 727254065 NBMCODLOZWXGTI-GFCCVEGCSA-N 290.436 3.714 30 20 CHED CC(C)C#CC(=O)N(C)Cc1csc2ccccc12 822131224 JFRNKVASGAUEQE-UHFFFAOYSA-N 271.385 3.519 30 20 CHED N#Cc1ccc(SCc2cc(-c3ccccc3)on2)nc1 495277418 KYNGDZCHKPZVHR-UHFFFAOYSA-N 293.351 3.901 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)c1ccccc1 494221285 WRMBGOIQHPXILH-GDBMZVCRSA-N 272.392 3.540 30 20 CHED CCOc1ccc2ccccc2c1C(=O)N(C)[C@@H](C#N)CC 906006161 HPMUIAZBQOWPAN-CQSZACIVSA-N 296.370 3.613 30 20 CHED O=C(C1CCC2(CC1)CC2)N(O)Cc1ccc(F)cc1 901371434 BUTUQYQUGNKGKV-UHFFFAOYSA-N 277.339 3.514 30 20 CHED C=CCC[C@H](CCC)N[C@H](CO)c1ccc(F)cc1F 668746584 QVFYBHFFTQKBRW-XJKSGUPXSA-N 283.362 3.723 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](C)CCC2CCCCC2)cn1 734344836 SWBIPKTVQZPYIZ-AWEZNQCLSA-N 284.403 3.542 30 20 CHED Cc1c(Cl)cccc1NC(=S)N1CCC[C@H](C#N)C1 905637652 CUYVCPFSNXJQQU-LLVKDONJSA-N 293.823 3.581 30 20 CHED C#CCOc1ccc(NC(=O)/C=C(/C)c2ccccc2)cc1 730979359 GHTZUISTEPVSBT-PFONDFGASA-N 291.350 3.741 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@H]1CCC[C@@H]1CC 835337739 QBFYNHDDRQVNLF-OFQRWUPVSA-N 268.397 3.585 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H](C)[C@H](C)CC)cc1 589079646 PTKYXMZVEUFCJY-IOASZLSFSA-N 272.392 3.612 30 20 CHED CSCC1CCC(=NNCC2CCCC2)CC1 834980458 RHXSSVZHRINAMP-UHFFFAOYSA-N 254.443 3.675 30 20 CHED C=CCN(C(=S)NC(C1CC1)C1CC1)c1ccccc1 734753884 BRNWAFGNLDXSKB-UHFFFAOYSA-N 286.444 3.742 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)c1ccccc1F)c1ccncc1 734460345 OXKMCOVKGFSFOP-DYVFJYSZSA-N 298.361 3.758 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(C)cc1O 735615717 WUTVKQXRUBATPK-UHFFFAOYSA-N 276.286 3.815 30 20 CHED Cc1cccc2nc(CSc3cccc(F)c3C#N)cn12 580871462 PLDFSUVSSCHNKR-UHFFFAOYSA-N 297.358 3.946 30 20 CHED CC1(c2ccccc2)CCC(NC[C@@H](C#N)CCC#N)CC1 583970061 GDIATZCZWUWPBI-IPJUCJBFSA-N 295.430 3.920 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC1CC(C(F)(F)F)C1 588232805 LBCSOASTDFQBSN-SSDMNJCBSA-N 294.320 3.866 30 20 CHED CC[C@H](C)[C@@H](C)N(Cc1ccc(OCC#N)cc1)C1CC1 732200813 APUQEDJBPOULQM-LSDHHAIUSA-N 286.419 3.988 30 20 CHED FC(F)Oc1ccc(C=NNc2ccccn2)cc1Cl 731485963 KKCQDNPSHIEOAX-UHFFFAOYSA-N 297.692 3.782 30 20 CHED C[C@@H](NN=Cc1c[nH]c2cc(Cl)ccc12)C(F)(F)F 834996846 WWVXFZQZEZYONC-SSDOTTSWSA-N 289.688 3.696 30 20 CHED C=C(Cl)COC(=O)/C=C\c1ccc(Cl)cc1 916609973 MHLQVJVSYUZVLK-DAXSKMNVSA-N 257.116 3.649 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2ncc(F)cc2F)CS1 835023506 JKJNDAAOSOMPCO-LLVKDONJSA-N 285.363 3.679 30 20 CHED CC[C@@H](C)[C@H](C=NNc1ccc(F)c(F)c1F)OC 834983033 PNNHBWGZFUWEEW-KCJUWKMLSA-N 274.286 3.563 30 20 CHED N#Cc1ccc(CCN(CC2CCC2)CC(F)(F)F)cc1 595337312 WDRNHVNJELIIBZ-UHFFFAOYSA-N 296.336 3.765 30 20 CHED C[C@@H]1C/C(=C\c2ccoc2C(=O)O)C(=O)c2ccccc21 833587360 KMCITDYVKAUEKJ-QSARLWQPSA-N 282.295 3.751 30 20 CHED Cc1ccccc1OCCN(C)[C@@H](C#N)c1ccccc1 595285462 ZXJGADWJDRXSGK-KRWDZBQOSA-N 280.371 3.571 30 20 CHED N#Cc1ccc(CCNCc2cccc(C3CC3)c2)cc1 594954104 AXUWZRMCNGEWSS-UHFFFAOYSA-N 276.383 3.768 30 20 CHED C=C(CNC(=O)N(C)c1ccc(F)cc1)c1ccccc1 672423561 CIGDYBPEWWSMEB-UHFFFAOYSA-N 284.334 3.685 30 20 CHED C[C@@H](SCC1(CC#N)CC1)c1cn(-c2ccccc2)nn1 596345449 KTJPUQFRYXZANZ-CYBMUJFWSA-N 298.415 3.755 30 20 CHED C=CCNC(=N)NCc1ccccc1Oc1ccccc1C 849076941 ZVOICZDADCZTAM-UHFFFAOYSA-N 295.386 3.587 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCC[C@@H]2CC2(Cl)Cl)C1 846109431 JDFFWZOOVIBQEG-IJLUTSLNSA-N 275.223 3.632 30 20 CHED C(=NNc1ccccn1)c1ccc(N2CCCCC2)cc1 916273371 AGNBITCRSBJXAZ-UHFFFAOYSA-N 280.375 3.518 30 20 CHED C=C(C)CCNC(=S)N[C@@H](CC)c1cccs1 840793287 SBTUXPOMLFIBKJ-NSHDSACASA-N 268.451 3.630 30 20 CHED CC(=NNc1oc(C)nc1C#N)C12CC3CC(CC(C3)C1)C2 917555638 TXLOBJMUGOYLRS-UHFFFAOYSA-N 298.390 3.859 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC(F)(F)CC1 842522471 KLZHBVRKOINMCN-UHFFFAOYSA-N 269.251 3.572 30 20 CHED CCCCCCCCCCC(=O)Nc1cnn(C)c1 915698365 AHYWQDLSSIAXLF-UHFFFAOYSA-N 265.401 3.889 30 20 CHED CCOc1cccc(/C=N\CC2(OCC)CCCC2)c1O 840704505 BCLYNEPPJFCFGL-PDGQHHTCSA-N 291.391 3.559 30 20 CHED O=C1/C(=C2\COc3ccc(F)cc32)CCc2ccccc21 918155154 RTPLIPGBZFFXAZ-JQIJEIRASA-N 280.298 3.801 30 20 CHED CC1CCC(C)(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 593970537 MOZBQOROZRMDBF-HVEKOLDVSA-N 298.430 3.822 30 20 CHED CCCCCCCCOCC(=O)Nc1nc(C)cs1 741506550 IFRISUZTOMSMPN-UHFFFAOYSA-N 284.425 3.767 30 20 CHED N#CCC1(CSCCCC2CCOCC2)CC1 596358728 YAOXFIRAKRYUQQ-UHFFFAOYSA-N 253.411 3.620 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(C(F)F)nc1 595057349 CJPJTCVGWAEAKU-LLVKDONJSA-N 286.391 3.979 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(COC(C)(C)C)c1C 593505331 MJIXQXDYVVJBND-ZDUSSCGKSA-N 288.391 3.798 30 20 CHED C[C@@H]1[C@H](C(F)(F)F)CCN1[C@H](C#N)c1ccccc1 595471026 ZBRSLUQDOLBWAO-RAIGVLPGSA-N 268.282 3.524 30 20 CHED CC(C)C(CCc1ccc(Cl)cc1)=NN(C)C[C@H](C)O 841650126 DCFUJCSRBWXPLH-ZDUSSCGKSA-N 296.842 3.597 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cnc(-c2ccccc2)nc1 849762522 LQHHGCUGMMPSMK-GOSISDBHSA-N 296.370 3.789 30 20 CHED C=C[C@](C)(CC)COC(=O)c1cccc(SC)n1 842772589 WOKZCDABDFCHDX-CQSZACIVSA-N 265.378 3.563 30 20 CHED C=CCc1ccc(OC(=O)c2ccc(C#N)s2)c(OC)c1 749314317 RMIGIHCCHADITO-UHFFFAOYSA-N 299.351 3.576 30 20 CHED Cc1nc(N2CC[C@@H](C3CCC3)C2)c(Cl)cc1C#N 591204036 ADMCBBICSOGSOT-GFCCVEGCSA-N 275.783 3.542 30 20 CHED Cc1cc(/C=C2\CCc3ccc(Cl)cc3C2=O)nn1C 840720078 LEDHLWOZGLHOIE-XYOKQWHBSA-N 286.762 3.594 30 20 CHED CCCCO[C@@H]1C[C@@H](/N=C\c2cccc(O)c2O)C1(C)C 749007063 AIWQFHCSBCQUFS-QIWHAVBOSA-N 291.391 3.501 30 20 CHED C=C(Cl)CNC(=O)CCc1c(Cl)cccc1Cl 847509208 BKDINLJWIVSKMY-UHFFFAOYSA-N 292.593 3.795 30 20 CHED COc1cccc2cc(C(C)=NOCc3cccnc3)oc12 746588066 XGKMGWLPVMKCHI-UHFFFAOYSA-N 296.326 3.777 30 20 CHED CC1CCN([C@@H](C/N=C\c2ccccc2O)C(C)C)CC1 915113143 OZVOGJCQVYBRMJ-LSPINASFSA-N 288.435 3.568 30 20 CHED CSCC1(CCNc2ncc(C#N)cc2Cl)CC1 596430630 WNSGHHBKNZSFJK-UHFFFAOYSA-N 281.812 3.552 30 20 CHED CC(C)(C#N)CCSCc1cc(C2CC2)no1 596362958 GBYWNPXQDGPROF-UHFFFAOYSA-N 250.367 3.725 30 20 CHED C=CCOCCCC(=O)N1CC=C(c2ccc(C)cc2)CC1 742500570 IRABRZMTHOSEBB-UHFFFAOYSA-N 299.414 3.594 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 681660265 WCDVSIBRLHWSPA-OAHLLOKOSA-N 297.402 3.633 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cc(Cl)cc2c1OCC2 926155997 NKJGYCLVSUZEOE-NSHDSACASA-N 292.810 3.693 30 20 CHED Cc1noc(Cc2ccc(NCC(C)(C)CCC#N)cc2)n1 922909748 SLGGBNCLZQGZKA-UHFFFAOYSA-N 298.390 3.711 30 20 CHED C#C[C@H](CC)NC(=O)[C@H](c1cccc(Cl)c1)C(C)C 754390538 VZGYRSWQIZEPBU-CABCVRRESA-N 277.795 3.608 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1ccc(C)cc1F 853783156 HRRVZKZICSBULP-SNVBAGLBSA-N 287.787 3.947 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc([C@H]2CCOC2)cc1 926491155 AMMXOZYHPKZAOB-ZFWWWQNUSA-N 272.392 3.931 30 20 CHED C#CCCCC(=O)O[C@H](CC)c1cccc(OCC)c1 758580204 JFNFSYIFYVDEIG-MRXNPFEDSA-N 274.360 3.883 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccnc(Br)c2)C1 852411985 XOKOMCDGIVFQDR-GFCCVEGCSA-N 295.224 3.632 30 20 CHED CCCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1OC 858604722 NTYSHIFXCIYGPB-KGLIPLIRSA-N 288.391 3.978 30 20 CHED C[C@@H](C/N=C\c1cc(Br)ccc1O)C1CC1 920177528 HPWNBZYYAOGYQV-AVPSXBMNSA-N 282.181 3.620 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 854482701 CDBRPIGNMUZNJC-ZDUSSCGKSA-N 283.346 3.816 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 751160485 HFFCUHROXBYJBK-KRWDZBQOSA-N 296.370 3.752 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccccn1)CC(C)C 922335956 RJIQRMWZRPSFKU-OAHLLOKOSA-N 289.423 3.604 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccc([C@H](C)O)cc1 850426214 BIUDNKKOICJWIC-BMGDILEWSA-N 273.420 3.964 30 20 CHED O=C(/C=C/c1ccsc1)c1cc(F)ccc1[N+](=O)[O-] 752875690 RYUIGQRKVYAXGU-DAFODLJHSA-N 277.276 3.692 30 20 CHED N#Cc1ccc(Sc2c(F)c(F)nc(F)c2F)cc1 756961182 IRPHFDQESFXVPK-UHFFFAOYSA-N 284.237 3.661 30 20 CHED FC(F)(F)c1csc(NN=C2CCCCC2)n1 755902324 DDLOXDGEEWOKRA-UHFFFAOYSA-N 263.288 3.894 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1ccc(O)cc1O 757471370 CGPOFQXGTXKVFC-MVTUOISNSA-N 266.296 3.550 30 20 CHED CCC[C@@H](C)CC(=O)OCc1cc(F)ccc1C#N 759365831 QYQKPMWAGKHQBM-LLVKDONJSA-N 263.312 3.567 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 935418677 JZHJKJXMIROWFY-OLZOCXBDSA-N 283.371 3.696 30 20 CHED C#CC[C@H](NCCCOCc1ccccc1)c1ccccc1 754143687 XMQKJQNATNHLJA-FQEVSTJZSA-N 293.410 3.948 30 20 CHED C#CCCCSc1nnc(-c2ccc(C)c(C)c2)o1 766278238 YBEJDAAHIABCKZ-UHFFFAOYSA-N 272.373 3.859 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2)cnc1Cl 760226252 RECPQTLKRZGQPZ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC(C)=CCOc1cccc(C(=O)OC2(C#N)CCC2)c1 762093477 FHJJNMPIPGOPBD-UHFFFAOYSA-N 285.343 3.635 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H](C)c1nc2ccccc2o1 934000061 JLLKVGXYBRQPKY-QWHCGFSZSA-N 286.375 3.650 30 20 CHED C#CCOc1ccccc1-c1noc(-c2ccccc2C)n1 761995548 DEHRJYLVLVNFLX-UHFFFAOYSA-N 290.322 3.724 30 20 CHED Cc1c(C(=O)OC2(C#N)CCC2)oc2c(C)cccc12 762100063 NBHIDDUGFCLSAD-UHFFFAOYSA-N 269.300 3.653 30 20 CHED CCC[C@@H]1C[C@H](C(=O)OCCCCC(C)(C)C#N)CCO1 768843670 AGBRMJWUDCPALA-HUUCEWRRSA-N 295.423 3.845 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(O)nc(CCC)c1 933341545 MZQODGCRFZXUBI-UHFFFAOYSA-N 290.407 3.558 30 20 CHED C#CCOc1ccc(CN(Cc2ccccn2)C(C)C)cc1 768925377 HKBKCNSFNJEQGJ-UHFFFAOYSA-N 294.398 3.504 30 20 CHED CC(C)CC1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 766086214 IQPOBEVVISQPQR-UHFFFAOYSA-N 287.363 3.729 30 20 CHED CCCn1cc(/C=C\C(=O)c2cccc(C(C)C)c2)nn1 865225943 MPUJHVYIJBEHNO-HJWRWDBZSA-N 283.375 3.708 30 20 CHED CCC(CC)(CC)C(=O)OCc1cccc(C#N)c1 761167539 PFYNJPVYRNGICE-UHFFFAOYSA-N 259.349 3.818 30 20 CHED C[C@H](Oc1cccc(Cl)c1)c1nnc(C(C)(C)C#N)o1 1117284179 AVEKRKYYYOHDRU-VIFPVBQESA-N 291.738 3.664 30 20 CHED N#Cc1ccc(CSCc2ccccc2C(=O)O)cc1 58240361 KGLRBNGLAOMAKW-UHFFFAOYSA-N 283.352 3.690 30 20 CHED CCCCC[C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 1116322811 PWCMLGXLBSFEJJ-AWEZNQCLSA-N 284.403 3.675 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2ccccc2)cc1 1116640581 UAZPQTUAHKMLNO-SFHVURJKSA-N 267.372 3.644 30 20 CHED CC(C)CN(CCC#N)C(=O)/C=C/c1ccc2[nH]ccc2c1 765702976 PCBNOVNXBNSALC-FNORWQNLSA-N 295.386 3.579 30 20 CHED C#CCCCCc1nc(-c2ccc(CC)cc2)no1 773187360 ZYXCKHBKCRWVDE-UHFFFAOYSA-N 254.333 3.645 30 20 CHED C[C@@H](C#N)CNN=Cc1ccc(F)c(-c2cccs2)c1 771108330 UDLUNTSYYLPSDD-NSHDSACASA-N 287.363 3.637 30 20 CHED C#CCCCCCCNc1cccc(C[S@@](C)=O)c1 876861793 DKAILGCCBLYGSG-LJQANCHMSA-N 277.433 3.561 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)c1ccsc1 773111647 SZSFBWCQAQHINL-UHFFFAOYSA-N 276.744 3.610 30 20 CHED CCCC(=CC(=O)N[C@H](C#N)CC(C)C)CCC 770734949 ZABBUXWSVKNEFW-AWEZNQCLSA-N 250.386 3.567 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1ccc([N+](=O)[O-])cn1 779772440 HTBQWCAMKGURHV-NSHDSACASA-N 278.356 3.850 30 20 CHED C=CC[C@@H](C(=O)N(OC)C1CCCC1)c1ccccc1 779092434 ZOHYWRIDJKMMIQ-MRXNPFEDSA-N 273.376 3.679 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1nc(Cl)cs1 773123102 DPKOAZUEFHWFGZ-SECBINFHSA-N 271.817 3.689 30 20 CHED CC(C)CO[C@@H]1CC(=NOCCC(F)(F)F)C1(C)C 777458437 AITBWCHNDHMBHO-LLVKDONJSA-N 281.318 3.783 30 20 CHED C=C[C@H]1CCCCN1Cc1coc(-c2ccccc2OC)n1 878523870 JIRGWPAHNMUDAZ-HNNXBMFYSA-N 298.386 3.891 30 20 CHED CCC(=NNc1nc2c(C)cccc2s1)c1cnn(C)c1 872419369 GBXOWRDLAPSTSQ-UHFFFAOYSA-N 299.403 3.564 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccc3[nH]ncc3c2)C1 779815561 BYBGTFADLWVPMB-RYUDHWBXSA-N 256.353 3.787 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 878584209 QZTBDNIWGQEYNT-HNNXBMFYSA-N 287.403 3.613 30 20 CHED CCCCCCCCC(=O)N1CCC(NC2CCC2)CC1 889835715 CCVBRGLCUBJJMP-UHFFFAOYSA-N 294.483 3.870 30 20 CHED C=C1CCC(C(=O)NCCc2ccc3ccccc3n2)CC1 888564135 NPMNIABBNHHACX-UHFFFAOYSA-N 294.398 3.640 30 20 CHED N#CCOc1cc(F)ccc1NC[C@@H]1C[C@H]1c1ccccc1 779608582 GBBZLVNWLZDZDO-HOCLYGCPSA-N 296.345 3.944 30 20 CHED C/C=C(\C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 776816792 GYNYRQCYXKHNHP-LFYBBSHMSA-N 293.370 3.871 30 20 CHED C=C[C@H](C)Nc1ccc([S@](=N)(=O)C(F)(F)F)cc1 882081451 FQHZRKBAFGYUIG-ASCAZGACSA-N 278.299 3.598 30 20 CHED C=CCCCCNC(=O)Nc1ccc(Cl)cc1OC 776075019 PWINOKHHISUUOU-UHFFFAOYSA-N 282.771 3.826 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1ccc(Cl)nn1 773187745 OWNHYUHLJOGDBB-UHFFFAOYSA-N 295.173 3.814 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCCc1ccsc1 783048265 ZJQOOMWWESMPHK-UHFFFAOYSA-N 284.384 3.890 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](CN)c1ccc2ccccc2c1 884272237 SAQQWMKGTXYEBX-QGZVFWFLSA-N 296.414 3.558 30 20 CHED C=C1CCC(C(=O)N(C)C[C@@H]2OCCc3ccccc32)CC1 888671943 FZUZVNUORLLCKO-SFHVURJKSA-N 299.414 3.505 30 20 CHED C[C@@H](CCCC#C[Si](C)(C)C)OC(=O)c1cscn1 1123247676 QMOIKPMCGBGAPA-LBPRGKRZSA-N 295.480 3.740 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1ccsc1 783874654 QJRCRVWYMIKXMC-UHFFFAOYSA-N 287.384 3.898 30 20 CHED Cc1cc(COC(=O)C(C)(C)C(C)C)ccc1C#N 784877120 WRRLEVMCJRHCLG-UHFFFAOYSA-N 259.349 3.592 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2cccc(C3CC3)c2)n1 882405340 OZEANIYNDISXCX-LLVKDONJSA-N 278.359 3.707 30 20 CHED CCN(Cc1ccccn1)[C@@H](C)c1ccc(C#N)cc1 104948324 KHJQKNCUFCKXFB-AWEZNQCLSA-N 265.360 3.536 30 20 CHED C=C(Br)CN[C@@H]1CC[C@](C)(c2ccccc2)C1 783238847 GQDPKJXPFXUNIC-CABCVRRESA-N 294.236 3.995 30 20 CHED C=CCCN(C)Cc1cc(OC)cc(C(C)(C)C)c1O 786101668 IEATWTGFTQIRHS-UHFFFAOYSA-N 277.408 3.706 30 20 CHED CCO[C@H]1CC(=NNc2ccc(C#N)c(Cl)c2)C1(C)C 783881471 ZUCLGOWTYLVIES-AWEZNQCLSA-N 291.782 3.815 30 20 CHED Clc1cccc2c1CCCC2=NNCCc1ccccn1 789125226 UPKGVXYSEGTNHL-UHFFFAOYSA-N 299.805 3.608 30 20 CHED C#CCCCCN[C@@H](c1ccccc1)C1CCOCC1 782773902 XYQRSTQARCPOAB-SFHVURJKSA-N 271.404 3.547 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1ccc2c(c1)CCC2 782483333 SICUVKYSRKPISP-UHFFFAOYSA-N 285.387 3.591 30 20 CHED C=CCC[C@H](NC(=S)NC1(C)CC1)c1ccccc1 789273789 NTPSRIWMJPHLQN-AWEZNQCLSA-N 274.433 3.711 30 20 CHED C=C1CCC(C(=O)N2CCC(CC(F)(F)F)CC2)CC1 890462123 SYYTWBBWETXHLQ-UHFFFAOYSA-N 289.341 3.924 30 20 CHED CC(=NN[C@H]1CCCOC1)c1ccc(-c2ccccc2)cc1 780265378 FNFXIWIFIMHDMW-IBGZPJMESA-N 294.398 3.846 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](C#N)CCc1ccccc1 1137854956 KBIBZRKCPOPBQZ-DJIMGWMZSA-N 284.403 3.548 30 20 CHED C#CCCCCC(=O)Nc1cc2[nH]ccc2cc1C 781545190 YBFLZTBJTLACGJ-UHFFFAOYSA-N 254.333 3.608 30 20 CHED C=C(C)CNc1cc(F)ccc1OCC(F)(F)F 897062429 QHBIJYIMLITDEC-UHFFFAOYSA-N 263.234 3.755 30 20 CHED N#CCCN(Cc1coc2ccccc12)CC1CC1 93091317 AHCVLUPOXFAUHJ-UHFFFAOYSA-N 254.333 3.558 30 20 CHED C=CC(C)(C)CC(=O)OCC(C)(C)C1OCC(C)(C)CO1 892863485 LSOFJDPPKHUBNZ-UHFFFAOYSA-N 298.423 3.557 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)Nc1ncc(C#N)s1 896485481 SGNFOZMKCHGTEN-GFCCVEGCSA-N 299.399 3.612 30 20 CHED CCO[C@@H]1CCCC1=NNc1ncnc(Cl)c1C(C)C 797403370 KFQMUQFICXCEMF-LLVKDONJSA-N 296.802 3.610 30 20 CHED CCn1cc(C(=O)/C=C/C=C/c2ccc(F)c(F)c2)cn1 794709232 XJMOGYCQQVOIFN-GGWOSOGESA-N 288.297 3.634 30 20 CHED CC[C@H](C)CC(=O)[C@H](C#N)c1ccc2ccccc2n1 791766235 XUOQYPLJGQEYMZ-GXTWGEPZSA-N 266.344 3.847 30 20 CHED C=C1CCC(C(=O)N2CCc3cccc(C)c3C2)CC1 890220250 HVJMSJIEJFSWDO-UHFFFAOYSA-N 269.388 3.626 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1c(C)noc1C(C)C 799439991 BDKDABQIMQGAMA-UHFFFAOYSA-N 298.342 3.760 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1cnoc1C 799471708 GDRCCAWHNIEXMH-UHFFFAOYSA-N 285.134 3.521 30 20 CHED CC[C@H]1c2ccccc2CN1c1cc(C)ncc1C#N 897354822 UVCAMWIMUGQPKA-INIZCTEOSA-N 263.344 3.733 30 20 CHED N#Cc1cccc(CN2CC[C@@H](C3CCCC3)C2)c1 708819439 ZYAYLLJPLGYGAY-QGZVFWFLSA-N 254.377 3.570 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCCC23CCCC3)nc1 559842351 FURDQKXEYYXIBA-MRXNPFEDSA-N 269.392 3.546 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCC2(CCCCC2)O1 709983134 VGXRTTGZOXNFKN-CABCVRRESA-N 278.440 3.786 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1cccc(C(=O)O)c1 797784676 FJRZHZWGWWJYRA-UHFFFAOYSA-N 298.367 3.615 30 20 CHED C[C@H](COCC1CCCCC1)NCc1cc(C#N)cs1 1203750603 MMNOKCORAIOCRZ-CYBMUJFWSA-N 292.448 3.695 30 20 CHED C#CCCCCC(=O)Nc1cccc(-c2ncco2)c1C 794643463 ZUGKINFDXOQMIA-UHFFFAOYSA-N 282.343 3.782 30 20 CHED COc1csc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 80844471 BLSASMWPGRSZBK-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CSCc1ccc(C/N=C/c2ccccc2O)cc1 794677759 YIWHALVFACJDSR-GZTJUZNOSA-N 271.385 3.874 30 20 CHED CCC[C@H](C)c1cc(NC(=O)c2ccc(C)c(C#N)c2)n[nH]1 799837630 WWOUZFDUWTZNHX-LBPRGKRZSA-N 296.374 3.746 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1ccc(F)cc1F 794933874 MJTGLPFDNOHATM-XQRVVYSFSA-N 276.286 3.638 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCN(C)[C@@H](C)C1 793531133 CZXAMLKALYNPBA-HRCADAONSA-N 252.446 3.584 30 20 CHED Cc1c(Cl)cnc(N(C)CCCc2ccccc2)c1C#N 1148109681 GXWZUGGOHZEZSA-UHFFFAOYSA-N 299.805 3.984 30 20 CHED CCCC[C@H](CC)C(=O)NO[C@@H](C)c1ccc(C#N)cc1 794725424 GLVHLUYYCGVZGH-ZFWWWQNUSA-N 288.391 3.883 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)Nc1cc(C#N)ccn1 582242458 DYXLMBIERCFUGL-ZDUSSCGKSA-N 271.364 3.664 30 20 CHED C=CCCCCCN(C)Cc1nn(C)c2ccccc12 678270825 LAICCRNIOSDIAH-UHFFFAOYSA-N 271.408 3.752 30 20 CHED C=CCCCOC(=O)CCc1ccc(OC)c(Cl)c1 735525864 PLQOCJCRWDSQAW-UHFFFAOYSA-N 282.767 3.791 30 20 CHED Cc1cc(Oc2cnc3c(F)cccc3c2)c(C#N)cn1 1163779796 MDYJGAVLZMYDIB-UHFFFAOYSA-N 279.274 3.741 30 20 CHED CCCC[C@H]1CCC[C@@H]1Nc1cccc(CC#N)n1 1325709985 KNSQZEYVUMPOEA-ZFWWWQNUSA-N 257.381 3.918 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(-n2ccc(C)n2)c1 1325055423 RPZFEJKHANKXLE-UHFFFAOYSA-N 297.402 3.513 30 20 CHED C=CCN1CC[C@@H](Nc2ccc(C)c(Cl)c2Cl)C1=O 1326979056 QXXYFUMUPDNTBF-LLVKDONJSA-N 299.201 3.501 30 20 CHED CN(C)c1cccc(Cl)c1C=NNc1ccc(C#N)cc1 1253805895 VJCDCVFCSOXIMN-UHFFFAOYSA-N 298.777 3.724 30 20 CHED COc1cccc(C=NOCc2csc(C)c2)c1OC 1331925190 PDVZYTCNDHQOHX-UHFFFAOYSA-N 291.372 3.624 30 20 CHED C[C@H](c1ccccc1F)N(C)C(=O)CC#Cc1ccccc1 1252951656 TWIPYWMMKDCSII-OAHLLOKOSA-N 295.357 3.787 30 20 CHED CC(F)(F)CCC(=O)N(c1ccccc1C#N)C1CCC1 1332589534 UTYIYSCLXKPNDV-UHFFFAOYSA-N 292.329 3.879 30 20 CHED N#Cc1cccc(N(C(=O)[C@H]2CC=CCC2)C2CCC2)c1 1338057729 JMMLCYXMRDTIQW-HNNXBMFYSA-N 280.371 3.800 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 1339281691 XTVRWXPVPFULIV-VIFPVBQESA-N 287.190 3.892 30 20 CHED Cc1nn(C(C)C)c(C)c1CNc1ccc(OCC#N)cc1 1334693344 HNNKTHRZDIWADH-UHFFFAOYSA-N 298.390 3.595 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1NCC(F)(F)F 1337096854 UZIPNTIUGPFOMS-UHFFFAOYSA-N 286.297 3.956 30 20 CHED C=CC[C@H](N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)C(=O)O 1334776636 HSLJKFCENHBMPC-LLLHUVSDSA-N 287.403 3.578 30 20 CHED Cc1nccn1CCCSCc1cc(F)ccc1C#N 1261381421 JNGVPDZVSVNNEX-UHFFFAOYSA-N 289.379 3.526 30 20 CHED N#CC1(c2nnc(CCc3ccccc3)o2)CCCCC1 1261429424 AVBZUJFZYISDON-UHFFFAOYSA-N 281.359 3.580 30 20 CHED CC1(C)CC=C(C(=O)O[C@@H](CC#N)c2ccco2)CC1 1345981405 IDFAMNOIVKEXPD-AWEZNQCLSA-N 273.332 3.914 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CCC(C)(C)CC1 1286627656 LTBLOYXQZHHOCP-UHFFFAOYSA-N 294.830 3.534 30 20 CHED N#Cc1ccc(NC(=O)C2(C3CCCCC3)CC2)cc1C#N 1360800875 NMDZLCFIYBBLDZ-UHFFFAOYSA-N 293.370 3.729 30 20 CHED C=C(CC)C(=O)N(CC)Cc1ccccc1Br 1520029945 HYUPMOQMUNMLER-UHFFFAOYSA-N 296.208 3.764 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N 224446427 KYSDGPWKHRMENF-KGLIPLIRSA-N 291.376 3.553 30 20 CHED CCC[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1C 1520214589 DWTJHNUDRBZXOY-AWEZNQCLSA-N 271.364 3.663 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]([C@@H](C)O)C1 129896465 NFYJTXCCJRFUOA-HZPDHXFCSA-N 283.456 3.747 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1cc(C#N)ccc1F 1525018900 JZCATCMELMSTCB-OAHLLOKOSA-N 262.328 3.852 30 20 CHED N#Cc1c(F)cccc1SCc1csc(C(=O)O)c1 1608194814 YICJVSBPWHAACR-UHFFFAOYSA-N 293.344 3.749 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nccn2-c2cccc(F)c2)C1 1472947781 PIHIBCDXDFCRQY-SMDDNHRTSA-N 287.363 3.796 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NN[C@@H](C)C(F)F 1552027725 RPSDSCGRJTYGSS-CORIIIEPSA-N 296.361 3.568 30 20 CHED Cc1c([C@@H](C)Nc2cc(C#N)cnn2)oc2ccccc12 1559164833 XJWROHCGFNGVIA-LLVKDONJSA-N 278.315 3.576 30 20 CHED CC(C)(Nc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 1626700824 SYLZXLVFFLGNJU-UHFFFAOYSA-N 297.333 3.527 30 20 CHED CCOc1cccc(NC(=O)Nc2cccc(CC#N)c2)c1 1562817074 VDOIPRIASJUUOB-UHFFFAOYSA-N 295.342 3.795 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](Nc2cccc(C#N)c2)C1(C)C 1658695137 FZAQFYSJYJJAQK-LSDHHAIUSA-N 272.392 3.952 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OC)c(C#N)c1 1595801706 AEBPPXUTSQRSQL-DOMZBBRYSA-N 286.375 3.722 30 20 CHED N#CC1(CCN2CCCC[C@H]2CCC(=O)O)CCCCC1 1594603633 HURDLJOWVCAKSD-HNNXBMFYSA-N 292.423 3.570 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1cccc(C)c1 1776086208 HRTZWSZMFHDLAB-UHFFFAOYSA-N 282.343 3.838 30 20 CHED C=C(Cl)CNC(=O)NC1CCC2(CCCCC2)CC1 1680130614 VXRGRKPAZHAQJB-UHFFFAOYSA-N 284.831 3.931 30 20 CHED C[C@H]1CCc2c(sc(NC(=O)C3CCCC3)c2C#N)C1 5529383 OQPNSAQATBPTAA-JTQLQIEISA-N 288.416 3.873 30 20 CHED c1ccc2c(c1)CCCC2=NNc1nc2ccccc2[nH]1 5070770 GATNWZZDQIZSHS-UHFFFAOYSA-N 276.343 3.715 30 20 CHED O=C(/C=C/c1c(Cl)nc2ccccn12)c1ccccc1 16405480 MZWFKBKUSGHHKV-MDZDMXLPSA-N 282.730 3.884 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(c1)NC(=O)CC2 150925599 YCXVZWKRDVXPBI-UHFFFAOYSA-N 288.391 3.870 30 20 CHED CCCC(CCC)C(=O)N[C@H](C#N)c1ccccc1F 161449235 PMXSMFYSKCJOMF-OAHLLOKOSA-N 276.355 3.723 30 20 CHED C=CCN(C)C(=O)C1(c2cccc(F)c2)CCCCC1 161609843 AJJIFQXQEGIFEF-UHFFFAOYSA-N 275.367 3.672 30 20 CHED C=CCN(C)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 161766861 CGKLBCDQSIQIMH-CQSZACIVSA-N 275.392 3.530 30 20 CHED Cc1cc(C#N)ccc1CN1CCCOc2ccccc21 165504744 URYMCFYIOKMROU-UHFFFAOYSA-N 278.355 3.656 30 20 CHED C=CCCS[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC 151983788 MFBQCUILNBSREV-OLZOCXBDSA-N 293.432 3.570 30 20 CHED C=CCNC(=O)Nc1cccc(-c2nccn2CCCC)c1 153447962 UIMROHMBLUKFJF-UHFFFAOYSA-N 298.390 3.658 30 20 CHED CC[C@H]1CCC[C@@H]1NCc1ccc(N(C)CCC#N)cc1 154134229 FQPVQFMPVHBJMR-WMZOPIPTSA-N 285.435 3.705 30 20 CHED COc1ccc(Cl)c(NCc2ccc(C#N)cc2F)c1 43317804 IBZMQUYVSPEKGL-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#Cc1cccc(CNc2cccc(OC(F)F)c2)c1 37006172 ZXBDAUNQRBFEGU-UHFFFAOYSA-N 274.270 3.772 30 20 CHED CCN(Cc1ccc(C#N)cc1C)c1ccccc1 165433284 KMUFAJOOBXGUOI-UHFFFAOYSA-N 250.345 3.893 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCCC2(F)F)s1 295058328 GINBXRWPKMQAMK-JTQLQIEISA-N 270.348 3.535 30 20 CHED C=CCOCCCN[C@@H](CC(F)(F)F)c1ccccc1 348028239 CQVLKBSBAUFJRF-AWEZNQCLSA-N 287.325 3.862 30 20 CHED C#CCCCNc1ccc(Br)cc1OCC 309408104 BFRLDEFAALECNX-UHFFFAOYSA-N 282.181 3.673 30 20 CHED Cc1ccc(C#N)c(Oc2ccc(C#N)cc2Cl)n1 311763695 INPVWKZPRMQDAQ-UHFFFAOYSA-N 269.691 3.579 30 20 CHED C=C(CC)CN[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 313501929 KRGVYZLSFDKUFZ-CABCVRRESA-N 296.455 3.626 30 20 CHED C[C@@H](C(=O)Nc1ccc(CC#N)cc1)C1CCCC1 610519919 XRCLNJXLWDNLRV-GFCCVEGCSA-N 256.349 3.517 30 20 CHED N#Cc1sc(N2CCCCCCCC2)nc1Cl 321596756 QICMNEGUCQORGD-UHFFFAOYSA-N 269.801 3.829 30 20 CHED CCCCCCCCCC(=O)N1CCC(O)(CC)CC1 707501230 NMZVYZXTAPITAO-UHFFFAOYSA-N 283.456 3.891 30 20 CHED C#CCN(C(=O)c1cc2ccc(F)cc2s1)C(C)C 688820988 CWHSIWHBIRFBSY-UHFFFAOYSA-N 275.348 3.524 30 20 CHED Cc1nc(CSCCOc2ccc(C#N)cc2)cs1 105622671 YKHUXMACBLBYNV-UHFFFAOYSA-N 290.413 3.635 30 20 CHED C[C@H]1CCC[C@H](C)N1Cc1ccc(C#N)cc1Cl 59422217 HIFSEVNPLNWPDD-RYUDHWBXSA-N 262.784 3.975 30 20 CHED Cc1ccc(C#N)c(Oc2ccc(F)c(Cl)c2)n1 104409353 YEGMEVSVGFDMPZ-UHFFFAOYSA-N 262.671 3.847 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 174357907 SAZRZRHTAUBOOE-NEPJUHHUSA-N 298.390 3.651 30 20 CHED C=CCCCC(=O)Oc1c(Cl)cc(C#N)cc1OCC 175608985 MSPDAVLHAPCAFG-UHFFFAOYSA-N 293.750 3.872 30 20 CHED N#CCCCOc1cccc(NC(=O)c2cccc(F)c2)c1 55568448 YLSPEYVSOWNSKU-UHFFFAOYSA-N 298.317 3.761 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC1CC1)C1CCCCC1 170804450 WYNGJTHGKQBGHS-CQSZACIVSA-N 279.424 3.539 30 20 CHED O=C(/C=C\c1csnn1)c1ccc2ccccc2c1 104300834 IRRGDGVEPFRDGP-FPLPWBNLSA-N 266.325 3.587 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1ccc(C#N)s1)CO2 176408508 WYQPBGSLMSCMKK-KPKJPENVSA-N 295.363 3.895 30 20 CHED CCN(C(=O)[C@@H]1C[C@@H]1C1CC1)[C@@H](C)c1ccc(C#N)cc1 176665448 FQXGFIXOMWWKII-JCURWCKSSA-N 282.387 3.514 30 20 CHED Cc1ccc(CCCCC(=O)Nc2ccc(C#N)cn2)cc1 110288556 HSTDABQQZZPGGB-UHFFFAOYSA-N 293.370 3.613 30 20 CHED Cc1cccc(C2(C(=O)Nc3cc(C#N)ccc3C)CC2)c1 63962488 VTRVWPLGVMMERF-UHFFFAOYSA-N 290.366 3.845 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCc2[nH]ncc2C1 114410596 SQPDLRFCEUTUQE-HNNXBMFYSA-N 291.439 3.524 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ccc(Cl)c(C#N)n1 67369154 ALUDJOQKHBCYIM-VIFPVBQESA-N 277.780 3.711 30 20 CHED Cc1cc(C)c(C#N)c(NCC2(c3ccccc3)CC2)n1 28943847 WDEPTQCYEGKZFR-UHFFFAOYSA-N 277.371 3.714 30 20 CHED CC(C)[C@H](CNC(=O)c1cccc(C#N)c1)c1ccccc1 27624908 KSCSUGNXTGXERR-SFHVURJKSA-N 292.382 3.728 30 20 CHED N#CCCCOC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 171669954 WJEMXEBJUSRYQL-IAGOWNOFSA-N 279.339 3.790 30 20 CHED CC1(C)CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 179376353 IRZNOLGWVMGFCT-OLZOCXBDSA-N 295.386 3.956 30 20 CHED C=CCCCC(=O)NCCOc1ccc2ccccc2c1 175138088 WKJXPGOXNYXRFP-UHFFFAOYSA-N 283.371 3.691 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCc1nc2ccccc2[nH]1 179789568 HCAIKTFKYDYXNQ-AWEZNQCLSA-N 299.418 3.747 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(OCC(=C)C)c1 66463059 TVAUCJIBSNJGAG-CQSZACIVSA-N 289.375 3.561 30 20 CHED CCCCCCCCC(=O)N1CCC([C@H]2CCCN2)CC1 115859276 ORBFWYCHYKMPFP-QGZVFWFLSA-N 294.483 3.728 30 20 CHED C=CCCCCNC(=O)c1ccc(Br)cc1C 471673007 AYRSCCAYBAVAEG-UHFFFAOYSA-N 296.208 3.844 30 20 CHED C=CCN[C@@H](c1ccccc1OC(F)F)C(F)(F)F 179902238 HHVDTODJVREGOG-JTQLQIEISA-N 281.224 3.667 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1F 171733975 DXHGPCLYVPXUGK-CQSZACIVSA-N 298.361 3.887 30 20 CHED COc1cc(Nc2snc(Cl)c2C#N)ccc1F 302498077 CANUUIWTQKLCGK-UHFFFAOYSA-N 283.715 3.559 30 20 CHED CC(C)N1CCC(N(C)c2ccc(C#N)c(Cl)c2)CC1 301503990 GEOWRTMGXOMYGC-UHFFFAOYSA-N 291.826 3.521 30 20 CHED C[C@H]1CCC[C@H](N(C)Cc2cc(F)ccc2C#N)C1 229957323 OTXCZYCZMFKEEX-LRDDRELGSA-N 260.356 3.708 30 20 CHED N#Cc1ccc(Cl)cc1N1CC[C@@H](Nc2ccccc2)C1 301209702 TVZJACFEVTXICU-MRXNPFEDSA-N 297.789 3.902 30 20 CHED Cc1ccccc1-c1nc(C(=O)OC(C)(C)C#N)cs1 181848380 JGFCLGIPAWRRQI-UHFFFAOYSA-N 286.356 3.578 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H]1C=CCCC1)c1ccccc1 188537886 KLWSJYXTKQKMGW-IAGOWNOFSA-N 269.388 3.961 30 20 CHED Cc1cc(CO/N=C2/CCCOCC2)c2ccccc2n1 180494903 PKXLDYPSUIQQKE-CYVLTUHYSA-N 284.359 3.616 30 20 CHED C=CCOc1cccc(CN2CCC[C@H]2c2ccc[nH]2)c1 127417057 QERRHFIYLVZVFC-SFHVURJKSA-N 282.387 3.917 30 20 CHED Cc1occc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 75434810 ZKTVDCJXSCGLTQ-UHFFFAOYSA-N 282.343 3.511 30 20 CHED CC[C@@H](CC(=O)N[C@H](CC)CC#N)c1ccc(C)cc1 183859740 NCENUULTJHZXJK-GOEBONIOSA-N 272.392 3.687 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1csc(C2CC2)n1 121832255 PNALNVQMLFUWMF-UHFFFAOYSA-N 291.420 3.613 30 20 CHED C[C@@H](CC#N)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 123343191 JFQCMDNTCOMHBE-LURJTMIESA-N 274.107 3.616 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC12CCCCC2 411064644 NCVIIQCJZPRVJU-HNNXBMFYSA-N 296.370 3.670 30 20 CHED CC[C@@H](CN[C@H]1CCC[C@H](C#N)C1)Oc1ccccc1F 185853726 JURGUKTUHORNQD-KKUMJFAQSA-N 290.382 3.655 30 20 CHED Cc1cc(CNCc2ccc(C#N)c(C)c2)ccc1F 443972133 WTTVNMZAPRTVGP-UHFFFAOYSA-N 268.335 3.604 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@]1(C)CC 125558361 JUYNYNSMUMMIPT-SJLPKXTDSA-N 282.387 3.509 30 20 CHED C[C@H](NC[C@@H](C)Oc1ccc(F)cc1)c1cccc(C#N)c1 181829706 OTSSYDXEWDVYNS-KGLIPLIRSA-N 298.361 3.815 30 20 CHED N#CCSCCCN1CCCCC[C@H]1c1ccco1 74991178 YCRKZIOPLGEFDQ-AWEZNQCLSA-N 278.421 3.844 30 20 CHED CCC[C@H](NCc1cccc(C#N)c1)c1cccnc1 184987443 MZAPRFKTOFPDLC-KRWDZBQOSA-N 265.360 3.584 30 20 CHED C=CCC[C@@H](C(=O)N(C)CCCCOC)c1ccccc1 416135036 RRKMWSZLEAKJKM-QGZVFWFLSA-N 289.419 3.621 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(C(=O)O)s1 213228460 PRIIMVFIAMDWOA-SREVYHEPSA-N 272.325 3.651 30 20 CHED C[C@H](NCCCOc1cccc(C#N)c1)c1ccccc1 181367207 XANXPLPSEJICMD-HNNXBMFYSA-N 280.371 3.678 30 20 CHED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 417370377 SITVPDXNEYIAIT-SJORKVTESA-N 254.377 3.714 30 20 CHED Cc1cc(/C=C/C(=O)c2sccc2O)cc(C)c1O 184517493 URLQFTYUZMRYDC-ONEGZZNKSA-N 274.341 3.672 30 20 CHED C=CCC[C@H](NCc1nnc(C(C)C)o1)c1ccccc1 180045996 UBIUNMGSSDDKGH-HNNXBMFYSA-N 285.391 3.990 30 20 CHED C=CCC[C@@H](C)NCc1ccc(C(=O)NCCCC)cc1 185177000 OBGBSUSVERSXFX-OAHLLOKOSA-N 288.435 3.661 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)n1 48787560 QSMLYSWYNQZHSW-LBPRGKRZSA-N 295.367 3.731 30 20 CHED CC[C@H](CSC)Nc1ccc(C#N)c(Br)c1 228196027 DIODSOGDDSHKTB-SNVBAGLBSA-N 299.237 3.874 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/CCO[C@@H]2CCCC[C@H]2C)CCC1=O 328932689 PFVFPCFQGCSHAH-IXYNUQLISA-N 295.423 3.544 30 20 CHED CCCN(CCCC(C)(C)C#N)Cc1ccccc1O 174840283 IQUAYJOBFDYUCA-UHFFFAOYSA-N 274.408 3.934 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H](Oc3ccccc3)C2)CC1 416269196 BZWCFNCNVBJQEZ-QGZVFWFLSA-N 299.414 3.803 30 20 CHED C=CCC[C@@H](NC(=O)c1ccnc(F)c1)c1ccccc1 133866906 BHNIWXUXZXUKES-OAHLLOKOSA-N 284.334 3.658 30 20 CHED COCCC1(C/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2)CCCC1 328940407 KSUKZOMOABBODN-ZIAGYGMSSA-N 295.423 3.545 30 20 CHED CSc1ccccc1C(=O)/C=C/c1cnc2ccccn12 194594999 HZURLBJHGBLQKF-MDZDMXLPSA-N 294.379 3.952 30 20 CHED N#CCSCCCN1CCC(c2ccc(F)cc2)CC1 83423610 YOHCVAKMISJKDB-UHFFFAOYSA-N 292.423 3.652 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2cc(Cl)ccc2C1 191498747 QSIMTBWPIMXNRL-INIZCTEOSA-N 277.795 3.827 30 20 CHED C=CCC1(C(=O)NCC(C)(C)c2ccc(F)cc2)CCC1 191231742 WMJZFMWDJICBAD-UHFFFAOYSA-N 289.394 3.966 30 20 CHED CC[C@H](/N=C(/O)c1scnc1C1CC1)C1CCOCC1 328838418 NVRBCYLXYOMJNN-LBPRGKRZSA-N 294.420 3.530 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2ccc(C)nc2)cn1 425321399 YUBULUYHQXOPEY-UHFFFAOYSA-N 295.386 3.993 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)c(F)cc1Cl 288859067 OYRMCQHLHCGNRC-ZDUSSCGKSA-N 268.719 3.666 30 20 CHED CC1(C(O)=Nc2nncn2C2CC2)CCCCCC1 329133533 ZDDHRVZVLPGGPQ-UHFFFAOYSA-N 262.357 3.562 30 20 CHED OC1=N[C@@H](C(O)=Nc2cccc3c2CCCC3)CCC1 328767116 BETNLIBEPLIDJP-CQSZACIVSA-N 272.348 3.662 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C(F)(F)F)nc1 132423204 ZOWMVFJSXZRYRS-UHFFFAOYSA-N 287.285 3.530 30 20 CHED Cc1c(NCc2cc(C#N)cs2)cnn1C1CCCC1 195456538 IXEVJDYGLWIXGN-UHFFFAOYSA-N 286.404 3.852 30 20 CHED CC(C)Oc1cccc(CN(CCC#N)Cc2ccco2)c1 81518019 MKXYSBSAMLANKD-UHFFFAOYSA-N 298.386 3.983 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@]1(C)C[C@@H]1F 425488796 LGSYMRYSNYCTLJ-RIEGTJTDSA-N 292.379 3.625 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)NCc2ccc(C#N)s2)CC1 421603537 OPGFKYYLZNDXPN-JOCQHMNTSA-N 290.432 3.698 30 20 CHED C=CCC(CC=C)C(=O)N(c1ccccc1)[C@@H]1CCOC1 192062417 CRFGXHJZQUPKPX-QGZVFWFLSA-N 285.387 3.577 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cccc(OCC)c1 191163158 LSOCTIDXTMWHDP-GUYCJALGSA-N 275.392 3.865 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2c(c1)C(=O)CCCC2 421159986 XPIHSJYXYCPGHR-UHFFFAOYSA-N 286.375 3.683 30 20 CHED CC(C)(C#N)C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 334808893 WDXVPCOFUZMPAE-JSGCOSHPSA-N 290.794 3.642 30 20 CHED CC(C)N(Cc1cccc(F)c1C#N)C1CCCC1 428386455 WYNCXRIPTUSTQS-UHFFFAOYSA-N 260.356 3.850 30 20 CHED Cc1noc(C)c1CSCc1ccc(C#N)cc1F 194544831 VEYVZTXXWNVIKH-UHFFFAOYSA-N 276.336 3.736 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425126242 HOLXAPUNDZYRMZ-LSDHHAIUSA-N 292.382 3.881 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc2cccnc12 337260799 XIQQVNWMCPSSFF-CYBMUJFWSA-N 269.348 3.711 30 20 CHED O/C(CCc1cncnc1)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 330283109 VYAIZYTVYVUULR-HRCADAONSA-N 287.407 3.725 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1C[C@H]1C1CCC1)c1ccccc1 424887581 AQEODTIWNSTRDH-WBAXXEDZSA-N 283.415 3.899 30 20 CHED Cc1coc(-c2cccc(N[C@H]3CC[C@@H](C#N)C3)c2)n1 517274552 JGOVVOVGPCOGLX-DOMZBBRYSA-N 267.332 3.754 30 20 CHED C[C@@H](CN(C)Cc1cc(C#N)cs1)c1ccccc1 93009079 JKQFUIMFZSWHAC-ZDUSSCGKSA-N 270.401 3.855 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC1(C)C 512388274 TVFIIZDUVKQGJA-OAHLLOKOSA-N 272.392 3.573 30 20 CHED C[C@H](CC1CC1)NCC#Cc1ccc(C(F)(F)F)cc1 90180694 LMUVQRJNRCITDB-GFCCVEGCSA-N 281.321 3.835 30 20 CHED C=C(C)COC(=O)CCc1ncc(-c2ccccc2F)o1 97088980 DEAZYYWWMFBRGP-UHFFFAOYSA-N 289.306 3.533 30 20 CHED Cc1cc(CNc2cccc(C#N)n2)c2[nH]c(C)c(C)c2c1 339218734 XHAWWQMIMMVEQT-UHFFFAOYSA-N 290.370 3.972 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cn1 435570895 PVUCUHRGGUPEJA-SWLSCSKDSA-N 287.725 3.714 30 20 CHED C=C(CNC(=O)N(CC)CCCC)c1ccccc1 512662209 WHTMGUBSJRBPBJ-UHFFFAOYSA-N 260.381 3.531 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 436088645 HCJSVPKMMFQKOP-UHFFFAOYSA-N 297.402 3.732 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H](C)[C@@H](C)CC 98120999 XJUICQOGEBWCFL-QWHCGFSZSA-N 280.437 3.880 30 20 CHED COc1cc(F)c(N/C(O)=N/CC2CCCCC2)cc1F 330476513 KOJFXQVNVOLAEH-UHFFFAOYSA-N 298.333 3.880 30 20 CHED N#CCCCCN[C@H]1CCCc2c1[nH]c1ccccc21 343504063 BOHSVCSPUBKWCD-INIZCTEOSA-N 267.376 3.829 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)[C@@H]2CCCC[C@@H]12 248373621 KGYQPAMWMLXPJI-BYCMXARLSA-N 260.406 3.630 30 20 CHED Cc1ccc(C#N)c(NC[C@H](c2ccccc2)C2CC2)n1 431495696 QYWOQFKWZGTSTJ-QGZVFWFLSA-N 277.371 3.867 30 20 CHED CO[C@@H](CSCC1(CC#N)CC1)c1ccc(F)cc1 600634879 IXOGKMJSKAYTJW-AWEZNQCLSA-N 279.380 3.940 30 20 CHED C=CCCOCCCCC(=O)N1CCCC[C@@H]1CC 342588880 QGHNVONTUFRXIM-HNNXBMFYSA-N 267.413 3.541 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN(CC1(CC#N)CC1)CC3 602790993 BEAYCSCYPMYBCK-UHFFFAOYSA-N 279.387 3.528 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1nc(C2CCCCC2)no1 602643777 KVLUXYKGTPBGIV-OLZOCXBDSA-N 290.411 3.708 30 20 CHED CC(C)(CCC#N)CNCc1cc(F)c(F)cc1F 342280842 NTASJHPMDCWHRR-UHFFFAOYSA-N 270.298 3.523 30 20 CHED C=C(C)CN(CC)C(=O)N=c1cc(CC)[nH]c2ccccc12 436496560 QOQIYSDKZUGOCJ-UHFFFAOYSA-N 297.402 3.649 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Oc2ccccn2)cc1 346008474 BRNXLXAHKODTOJ-UHFFFAOYSA-N 295.342 3.752 30 20 CHED COc1ccccc1/C=C\C(=O)c1sccc1C 255475693 UPLGBMPIWWAORT-FPLPWBNLSA-N 258.342 3.961 30 20 CHED Cc1cc(F)cc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 439656641 TYNWHKDIWUAZGK-KRWDZBQOSA-N 296.345 3.909 30 20 CHED COCc1cccc(/C=C2/CCc3c(O)cccc3C2=O)c1 255558254 XOFKSCMQIHVWHX-PTNGSMBKSA-N 294.350 3.751 30 20 CHED CCc1ccc([C@@H](C/N=C\c2ccccc2O)N(C)C)cc1 255517976 BENDTXBPEMNUCP-RXWSAZGZSA-N 296.414 3.676 30 20 CHED Cc1ccc(-c2cccc(CNC3CC3)c2)c(C#N)c1 600778610 YQYOJMVYLSLWKY-UHFFFAOYSA-N 262.356 3.786 30 20 CHED CC(C)N(C)c1ccc(-c2ccc(F)c(C#N)c2)cn1 600783134 WYSZQQDBAZSZBN-UHFFFAOYSA-N 269.323 3.604 30 20 CHED C[C@H](CCC#N)CNc1ccccc1Br 602489763 OZGZKNHTWMLAGV-SNVBAGLBSA-N 267.170 3.801 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(CC#N)cc1 342759858 YFOOTZPQPNIEJQ-CQSZACIVSA-N 276.449 3.716 30 20 CHED N#C[C@H]1CCC[C@H](NCCOc2ccc(Cl)c(F)c2)C1 449485231 LJLYOXNHDPAVDO-RYUDHWBXSA-N 296.773 3.530 30 20 CHED CSCc1cnc(CNc2cc(C)cc(C#N)c2)s1 449759190 IQZJWFKEUQROLB-UHFFFAOYSA-N 289.429 3.798 30 20 CHED C=C(C)CN(CC)C(=O)/C=C(\C)Cc1ccccc1OC 255265705 HLRBOVZSZMFHDO-NTCAYCPXSA-N 287.403 3.609 30 20 CHED COc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)cc1C#N 250403624 OMRKHGDNDSMFRP-CVEARBPZSA-N 284.403 3.579 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N(CC2CC2)C2CCC2)cc1 358403097 AXDFAKUSUHAPBZ-UHFFFAOYSA-N 296.414 3.892 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@H](CC)C(C)C 609166446 BWSBEWNDGVLYGV-AWEZNQCLSA-N 288.391 3.968 30 20 CHED Cc1cc(CNC[C@H]2CCOc3ccccc32)ccc1C#N 443979956 LLRUOPGXNHSMAM-QGZVFWFLSA-N 292.382 3.523 30 20 CHED C[C@@H]1C[C@@H](Sc2ccc(Cl)cc2C#N)CCO1 601910927 CMVSAVHZZDTLPR-SKDRFNHKSA-N 267.781 3.871 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C 539461121 QWOQEZDOZDXJLC-HZSPNIEDSA-N 252.402 3.609 30 20 CHED N#Cc1ccc(NC[C@H]2CCCO[C@@H]2c2ccccc2)cn1 267438055 YFCNZHOXZNNBJO-CRAIPNDOSA-N 293.370 3.533 30 20 CHED C=CCOCCCOc1cc2ccccc2nc1C 352327353 YFDJFTNMWQEKEH-UHFFFAOYSA-N 257.333 3.515 30 20 CHED C=C(C)CCc1noc(COc2ccccc2OCC)n1 351623593 JJERGDSPVHOTHR-UHFFFAOYSA-N 288.347 3.556 30 20 CHED CC(C)N(Cc1ccc(F)cc1C#N)C1CCCC1 532687844 JMJSCPBCNNJYLM-UHFFFAOYSA-N 260.356 3.850 30 20 CHED CC[C@@H](NC[C@H]1Cc2ccccc2O1)c1ccc(C#N)cc1 447529145 KPKZJGZYWMYDMK-QZTJIDSGSA-N 292.382 3.603 30 20 CHED COc1ccc(C#N)cc1NCc1ccc([C@H]2C[C@@H]2C)o1 354856732 VBBBLANJBMYCKY-FZMZJTMJSA-N 282.343 3.895 30 20 CHED C=C(CC)CSCC(=O)Nc1cc(C(C)(C)C)no1 539094955 FPMJFDBDMYYMKG-UHFFFAOYSA-N 282.409 3.610 30 20 CHED CCCOCc1ccccc1CNc1nc(C#N)ccc1C 611399308 JMZRBRAMIMMQIY-UHFFFAOYSA-N 295.386 3.800 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)Cc1cccc(Cl)c1Cl 619111542 DZBQVYDJCCDTOP-NSHDSACASA-N 299.201 3.590 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)c1nnc2ccccn12 449067453 LMOIIWMJIGCZEA-ZIAGYGMSSA-N 272.396 3.515 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CC1CCCCC1)C1CC1 619548791 MYYHPJLSRQGBBQ-UHFFFAOYSA-N 286.375 3.645 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2ccccc2)cn1 352591428 WYORRRHTJJFRKM-KRWDZBQOSA-N 295.342 3.752 30 20 CHED CC(C)c1ccsc1C(=O)N1CCC[C@@](C)(C#N)C1 612236925 KKYPDFDVVYHZJV-HNNXBMFYSA-N 276.405 3.637 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@H]2CCCC[C@@H]21 536152824 VZPLLLQWSXXCPT-OLMNPRSZSA-N 296.414 3.793 30 20 CHED Cc1cccc([C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccn2)c1 442833893 VNICBPAKBIVPDU-AYBZRNKSSA-N 291.398 3.761 30 20 CHED C[C@H]1CC[C@@H](C(=O)N(C)c2cc(Cl)ccc2C#N)C1 537355888 COEYIBVDMPDSMZ-WDEREUQCSA-N 276.767 3.611 30 20 CHED C[C@@H](c1ccco1)N(Cc1ccc(OCC#N)cc1)C1CC1 267940764 PYSFDFHHVFHSNA-AWEZNQCLSA-N 296.370 3.908 30 20 CHED C=C[C@@H](Nc1cccc(Sc2ccccc2)c1)C(=O)OC 619701462 JINTVFVMTOHWOW-MRXNPFEDSA-N 299.395 3.977 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)C(C)(F)F)c1ccccc1 452455388 JYOUGKGUPAPAJZ-RYUDHWBXSA-N 267.319 3.506 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 455308636 JUVRYSOJVWKSFR-HOTGVXAUSA-N 286.419 3.849 30 20 CHED CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)C1(C)C 619755328 XFKIEQZFENNXRC-LSDHHAIUSA-N 292.810 3.505 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)NCC(C)(C)CC#N)cc1 459225190 BWYUXAIJELBZKT-INIZCTEOSA-N 299.418 3.781 30 20 CHED CCO[C@@H]1C[C@H](Nc2nc(C)cc(C)c2C#N)C12CCCC2 361236676 LCRRFNYRQYTLQW-JKSUJKDBSA-N 299.418 3.720 30 20 CHED C=CCC[C@H](C(=O)N(C)[C@@H]1CCSC1)c1ccccc1 275285093 FNZFZFJZWDIVKG-CVEARBPZSA-N 289.444 3.700 30 20 CHED C=CCN(C(=O)Cc1c(Cl)cccc1Cl)C1CC1 540192700 NGXLRNGBBGBZRI-UHFFFAOYSA-N 284.186 3.713 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(-c3csnn3)cc2)C1 278886297 YGMMQMPHRCXCSX-BXUZGUMPSA-N 284.388 3.699 30 20 CHED CC[C@H](C)[C@H](C)C(=O)NCc1ccc(C#N)c(Cl)c1 619766912 KWASYHLDGSFLOR-QWRGUYRKSA-N 278.783 3.510 30 20 CHED CC#CCCCC(=O)N1CC[C@H](C2CCCCC2)C1 618186821 TVNJVDLXJXPDOZ-INIZCTEOSA-N 261.409 3.609 30 20 CHED CCSc1cccc(NC(=O)CC(C)(C)C#N)c1 278432988 ZNKLJTLDVHKAPC-UHFFFAOYSA-N 262.378 3.677 30 20 CHED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H](C)C(C)C 361636124 HFVYNPGAXUACHG-DOTOQJQBSA-N 286.419 3.967 30 20 CHED CC[C@@H](c1ccc(F)cc1)N1CCC[C@](C)(C#N)C1 612166343 SEGSZJNJUVNDDR-JKSUJKDBSA-N 260.356 3.902 30 20 CHED CC(C)(C)OC(=O)CCSc1c(F)cc(C#N)cc1F 450503185 WLYOQWZFGSRCMF-UHFFFAOYSA-N 299.342 3.660 30 20 CHED CC[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 278579005 RRCJEJNTMFYCOT-CYBMUJFWSA-N 278.783 3.847 30 20 CHED FC(F)(F)c1ccc(C#CCNC2(C3CC3)CC2)cc1 541595479 QWKLEOVTGVCFQN-UHFFFAOYSA-N 279.305 3.589 30 20 CHED CCOC(=O)[C@H](CC(C)C)Sc1ccc(C#N)cc1 543860067 DZFIXLVKNNOZQS-AWEZNQCLSA-N 277.389 3.628 30 20 CHED C[C@@H]1C[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)CCO1 360650184 XPXHSDBLRJUNHX-OGWOLHLISA-N 298.430 3.730 30 20 CHED CC(C)Oc1ccc(NC(=O)C2(C#N)CCC2)c(Cl)c1 275509825 XFZZWHHLLGCJSY-UHFFFAOYSA-N 292.766 3.760 30 20 CHED CC[C@@H](NC[C@H](O)c1ccccc1C)c1ccc(C#N)cc1 278837364 UOSICAHXIRKEPQ-MOPGFXCFSA-N 294.398 3.641 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 274706627 RXVYOLNMTONAFL-WFASDCNBSA-N 270.376 3.562 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2ccsc2C1 275554020 GOMOZRICTXWFHN-LBPRGKRZSA-N 268.385 3.739 30 20 CHED C=C(C)[C@@H](CC(=O)N(c1cccc(F)c1)C(C)C)OCC 622971879 HXCFTCBATWVRQK-MRXNPFEDSA-N 293.382 3.938 30 20 CHED CCCc1nc(C)c(NC(=O)c2ccc(C#N)cc2)s1 362468356 VFUBFBIRTHDIQZ-UHFFFAOYSA-N 285.372 3.528 30 20 CHED CC(C)C(=O)c1ccc(NCCC(C)(C)C#N)cc1 453156062 GOKFOTFLGQSJKT-UHFFFAOYSA-N 258.365 3.877 30 20 CHED C=C[C@@H](CC(=O)N(C)CCCOC(C)C)c1ccccc1 270339449 PWTBCRKWFWBSQW-INIZCTEOSA-N 289.419 3.620 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(OC)c1C 628697281 APCVICRQKZPHIS-UHFFFAOYSA-N 259.349 3.711 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@H](OC)c1ccccc1F 541778624 TUAINLGVCILHQO-ZENOOKHLSA-N 265.372 3.846 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(C)[nH]c1C 620864307 GVWCFFYLTRTGIA-UHFFFAOYSA-N 282.387 3.502 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)NCCCC#N)cc1 273239256 MXPXLAJZTSFATH-MRXNPFEDSA-N 285.391 3.535 30 20 CHED C=CC[C@H](C(=O)N(C)[C@H]1CC[C@@H](C)C1)c1ccccc1 464478692 GAWJSRVPLMIRAM-PVAVHDDUSA-N 271.404 3.993 30 20 CHED CCCc1nc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)co1 273572988 ZQEJYSDCXDEUTM-UHFFFAOYSA-N 297.358 3.681 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1cccc(F)c1F 543412852 RDOWXSAAUMNEIN-GHMZBOCLSA-N 282.334 3.680 30 20 CHED C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(C#N)c1 468585784 LRMUORHWHDRMPA-JYRVWZFOSA-N 293.326 3.982 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1nccn1-c1ccccc1 287303060 SVVZLYTZOUONQX-HNNXBMFYSA-N 296.418 3.853 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NC1(C#N)CC1 552019756 RCMMXQOEWWILCO-XOYHFGRZSA-N 288.435 3.791 30 20 CHED C[C@H]1N(CCCCC(C)(C)C#N)CCC12CCOCC2 370500707 SVMSHZXNLYALRG-OAHLLOKOSA-N 278.440 3.597 30 20 CHED C=CCC(C)(C)C(=O)NCC1(c2ccc(F)cc2)CCC1 550354748 WXLGRAMPQKQVOE-UHFFFAOYSA-N 289.394 3.966 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1c(C)cccc1C 466250962 NFFLDKNXPSWOAM-OAHLLOKOSA-N 257.377 3.674 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 285409846 FSOAEJYDUUQWMA-XPTSAGLGSA-N 282.746 3.596 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)CCCc1ccccc1 466630847 LQXHKWBMYYNJQY-HNNXBMFYSA-N 259.393 3.680 30 20 CHED CCSc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 558245464 IIHVIILKTSBIDT-CYBMUJFWSA-N 297.427 3.916 30 20 CHED C=C(C)COc1cccc(NCc2cc(OC)ns2)c1 638252881 XHLRQWVVXKRFHB-UHFFFAOYSA-N 290.388 3.719 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2C[C@@H]2C2CC2)CCCC1(C)C 470299915 SWOWPOYIZPYGDA-KFWWJZLASA-N 261.409 3.626 30 20 CHED C=C1CCN(C(=O)c2oc3ccccc3c2CC)CC1 294454646 DFCPOHBYSIUHPA-UHFFFAOYSA-N 269.344 3.787 30 20 CHED CCc1cc(NC(=O)c2ccccc2OCC#N)ccc1F 804267568 RKGHHLFUAHCQPZ-UHFFFAOYSA-N 298.317 3.543 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(SC(F)F)cc1 806082920 VBEXFGFQNUAFAB-JTQLQIEISA-N 298.358 3.925 30 20 CHED CC(C)CCn1cccc1CN(C)CC(C)(C)C#N 556910414 WTMRQIVWEQNKBO-UHFFFAOYSA-N 261.413 3.516 30 20 CHED C=CCCN(C)C(=O)c1oc2ccccc2c1CC 295229809 SMXSJNGAHXERJF-UHFFFAOYSA-N 257.333 3.643 30 20 CHED Cc1cc(C)c(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)o1 647378349 QDVAQGUYJFCBTC-LLVKDONJSA-N 286.356 3.720 30 20 CHED CCc1c(C(=O)N[C@](C)(C#N)C(C)C)oc2ccccc12 294423620 FHNCBNZLTUWAHF-QGZVFWFLSA-N 284.359 3.663 30 20 CHED C=CCC1(c2nc(C(CC)(CC)OC)no2)CCC1 290252012 CZHWGCQBMAOWGX-UHFFFAOYSA-N 264.369 3.729 30 20 CHED C=CCCCNC(=O)C1(c2ccccc2C)CCCC1 566771159 SJUTZDZVWREATQ-UHFFFAOYSA-N 271.404 3.889 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)C(C)(C)C 807884134 VDYLMTFGHINWLW-GXSJLCMTSA-N 283.824 3.669 30 20 CHED Cc1oc(C(C)C)nc1C(=O)O[C@@H](C#N)C1CCCCC1 802799554 FNFKZIWKQPYLBS-ZDUSSCGKSA-N 290.363 3.736 30 20 CHED C=C(CNC(=O)c1cc(C)c(OC)c(C)c1)c1ccccc1 805251335 VAPUEJHMFBMNPN-UHFFFAOYSA-N 295.382 3.755 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccsc2)CCCC1 648438186 ZGAVZOIQUKPPNC-UHFFFAOYSA-N 263.406 3.843 30 20 CHED CC#CCCCC(=O)O[C@@H]1CCOc2c(F)cc(F)cc21 806007956 OHBOYXFTZWZRFO-CQSZACIVSA-N 294.297 3.525 30 20 CHED COc1ccc(COC(=O)CCCCCC#N)cc1Cl 805695136 KFUZOUWVALLWOY-UHFFFAOYSA-N 295.766 3.866 30 20 CHED CC[C@@](C)(C#N)C(=O)NC(C)(C)c1cccc(Cl)c1F 563412679 PTSCTAGJIPGKKY-HNNXBMFYSA-N 296.773 3.770 30 20 CHED C=CCCCCNC1CCN(c2ccc(F)cc2F)CC1 471613670 JYQNKWJFZHAPDN-UHFFFAOYSA-N 294.389 3.880 30 20 CHED COc1cccc(CN(C)[C@H](C)c2ccc(C#N)cc2)c1 299455058 XRTTZHJYIFGIEE-CQSZACIVSA-N 280.371 3.760 30 20 CHED Cc1nc(N2CCC[C@@H]2c2ccccn2)c(Cl)cc1C#N 562272975 PFCJBEBHIUDKPD-OAHLLOKOSA-N 298.777 3.652 30 20 CHED C[C@H](c1noc(CCc2ccc(C#N)cc2)n1)C(C)(C)C 566534836 PKGOLBKTHGRDLK-GFCCVEGCSA-N 283.375 3.876 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 480618918 FCUYBYHCZIXVJZ-QWHCGFSZSA-N 264.413 3.647 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@@H](CC(=O)O)[C@@H]1C 814859443 VDYOQWYNNKIYSG-IHRRRGAJSA-N 282.428 3.812 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](CC)c1ccc(C)cc1 814772751 YXNKKDZKLPFODE-CYBMUJFWSA-N 267.319 3.774 30 20 CHED CC(C)[C@H]1CC(=NNc2ncccc2Cl)CS1 814810224 DCCMRIDAAQYSHB-LLVKDONJSA-N 269.801 3.664 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NCC1(C#N)CC1 567546898 GQOQCIAVTJAUGP-AWEZNQCLSA-N 256.393 3.636 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cc(N)ccc1F 814686667 VPNACFOAFDMLFS-UHFFFAOYSA-N 279.265 3.522 30 20 CHED C[C@@H](CC1CCCCC1)NC[C@H](O)c1ccc(C#N)cc1 819266118 DXAJXKCYKDBCKS-KSSFIOAISA-N 286.419 3.540 30 20 CHED C[C@@H](C(=O)NCC(C)(C)CCC#N)c1cccc(Cl)c1 577666016 JXNBQBDVLCMFTI-GFCCVEGCSA-N 292.810 3.890 30 20 CHED C=CCn1cccc1C(=O)N(C)Cc1ccccc1Cl 488550229 PKTHSDCGBAHANF-UHFFFAOYSA-N 288.778 3.600 30 20 CHED CSCc1cnc(C=NNc2cccc(F)c2F)s1 814858811 DRGNAPWPUHLKBD-UHFFFAOYSA-N 299.371 3.730 30 20 CHED N#Cc1cccc(C#N)c1N1CC[C@@H](c2cccc(F)c2)C1 486467509 JPDWCTYVKPGEFK-MRXNPFEDSA-N 291.329 3.563 30 20 CHED C#CCOc1ccc(NC(=O)N(CC)CC(C)(C)C)cc1 812933742 LRDIOKSIWDWUSF-UHFFFAOYSA-N 288.391 3.599 30 20 CHED C=CCC(C)(C)CNCc1c(O)ccc(Cl)c1F 815142504 UFYKRCUCYDMZAD-UHFFFAOYSA-N 271.763 3.877 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C#N)c(F)c1 572768287 COOSSCWBFJWSDW-IAQYHMDHSA-N 289.354 3.740 30 20 CHED C=CC[C@H](C)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 482200364 SFQRWFJGSOONPT-ZDUSSCGKSA-N 299.370 3.787 30 20 CHED N#CCn1c(C(=O)OCc2cccs2)cc2ccccc21 729891516 ULUPPJVCWITOJS-UHFFFAOYSA-N 296.351 3.583 30 20 CHED CCN(CCc1cccs1)c1ccc(Cl)c(C#N)n1 486955890 LZIQAUPJJMNRCH-UHFFFAOYSA-N 291.807 3.737 30 20 CHED COc1cccc(C(=O)/C=C\C2=Cc3ccccc3OC2)c1 726742352 PJUQXQMMIHMFPI-KTKRTIGZSA-N 292.334 3.910 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1cccc(Cl)c1 728613567 PNZCSBIPYNIENB-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CC[C@@H](Nc1cc(C#N)ncn1)C(C)(C)c1ccccc1 574627732 FAPNNMAEVYIMJP-OAHLLOKOSA-N 280.375 3.517 30 20 CHED CC(=O)c1ccc(C#N)cc1NC[C@H]1CCOC2(CCC2)C1 828785615 MEHILMRJTCVNJF-HNNXBMFYSA-N 298.386 3.522 30 20 CHED C#CCCOc1ccc(C(=O)N(C)C2CCC(C)CC2)cc1 822236698 LJXIZVFXABZVOY-UHFFFAOYSA-N 299.414 3.739 30 20 CHED C[C@@H](C[C@@H](O)c1ccco1)Nc1cccc(Cl)c1C#N 827752800 OFOOPEQXBUSXOT-IINYFYTJSA-N 290.750 3.729 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCC1CC1 572872984 YZWFTODXGDCFHG-UHFFFAOYSA-N 257.724 3.582 30 20 CHED CC[C@@H](C(=O)Nc1ccccc1CC#N)c1ccccc1 576601834 PSGGMXCICXALMO-MRXNPFEDSA-N 278.355 3.885 30 20 CHED N#CC1(CSc2nnc(-c3ccc(F)cc3)o2)CCC1 573773377 JLKKLMWJTQRAFE-UHFFFAOYSA-N 289.335 3.662 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 497914217 NOQHJKWMLNDHJY-OFQRWUPVSA-N 287.403 3.806 30 20 CHED C=CCN(C)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 494655277 PZDCVRHNKSFDOY-GOSISDBHSA-N 294.398 3.793 30 20 CHED Cc1cc(/C=C\C(=O)c2ccncc2)ccc1Cl 588410342 GTJWUTQCVXFEEH-HYXAFXHYSA-N 257.720 3.940 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1nc(CC)c(C)s1 584104185 AQQVVVLMOXCPKW-JTQLQIEISA-N 281.425 3.880 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccc(C(C)C)nc2)no1 904695333 NYCMALFHMVLOMR-CYBMUJFWSA-N 286.379 3.611 30 20 CHED Cc1cc(CON=Cc2ccccc2C(F)(F)F)no1 727470495 XJCXHPVVXGTCRR-UHFFFAOYSA-N 284.237 3.553 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(Cl)ccc1OC 490127721 YGTXMSOYNKMHBL-UHFFFAOYSA-N 290.750 3.588 30 20 CHED CC[C@@H](N[C@H]1C[C@@H](OC(C)C)C1)c1cccc(C#N)c1 903017256 QXZHOKADRNUGOR-IXDOHACOSA-N 272.392 3.555 30 20 CHED Cc1cncc(C(=O)/C=C\c2cccc3c2OC(C)(C)C3)c1 588476416 LIAVWFRNGBQKFL-FPLPWBNLSA-N 293.366 4.000 30 20 CHED CCCSCC(C)=NNc1nc2ccccc2n1C 901169792 NXZFKOHMGNXYKX-UHFFFAOYSA-N 276.409 3.504 30 20 CHED CC(C)(C)c1ccc(COC(=O)C2(C#N)CCC2)cc1 735991866 FZWWYIWKBJAHRM-UHFFFAOYSA-N 271.360 3.721 30 20 CHED COc1ccc(C)cc1C(=O)CSc1ccc(C#N)cc1 498295391 GSRCVYLBWCFSGQ-UHFFFAOYSA-N 297.379 3.850 30 20 CHED N#Cc1ccc(SCCOc2ccc(Cl)cc2)nc1 495268003 QCSLSNQBSKIZKU-UHFFFAOYSA-N 290.775 3.778 30 20 CHED CSCC1CCC(=NN[C@@H](C)C(C)(C)C)CC1 834981257 KZTUZEYVHJUOSS-PXYINDEMSA-N 256.459 3.920 30 20 CHED N#CC1(CCCCOC(=O)[C@H]2CCCCS2)CCC1 909157017 PYTVQPSWZBPKGT-CYBMUJFWSA-N 281.421 3.679 30 20 CHED C=CC[C@H](CC)Nc1cc(C(=O)OCC)c(Cl)cn1 580139439 VRCUDCZTFBEXMZ-JTQLQIEISA-N 282.771 3.678 30 20 CHED CCC[C@@H](C)N(C)Cc1cc(C#N)ccc1Br 492560259 OLAPQRYDTKBADQ-LLVKDONJSA-N 295.224 3.941 30 20 CHED C=CCCCCN1CCC[C@@](CO)(Cc2ccccc2)C1 581351382 KPOZHPKHNOEUKS-LJQANCHMSA-N 287.447 3.660 30 20 CHED C=CCCCOC(=O)Cc1cn(CC)c2ccccc12 735535780 YYEDAPWQUJGZBI-UHFFFAOYSA-N 271.360 3.713 30 20 CHED COC[C@H](C)[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839434361 BZONPJKAPSGWTQ-QWHCGFSZSA-N 296.370 3.569 30 20 CHED C=C(Cl)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 831534295 OBRJBSRVCDVNNJ-ZDUSSCGKSA-N 280.755 3.527 30 20 CHED C=CCN(C(=O)N[C@@H](C)Cc1ccc(C)cc1C)C(C)C 731285779 MLEJEGZLBBNVJH-INIZCTEOSA-N 288.435 3.840 30 20 CHED C#CCCCCCC(=O)N1CC(c2cccc(Cl)c2)C1 839785459 ZDJSVBJXKMXBGE-UHFFFAOYSA-N 289.806 3.850 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1ccccc1Cl 834995831 BSRDGUXZXBCHCQ-QMMMGPOBSA-N 264.678 3.604 30 20 CHED N#CCCCCCC(=O)N[C@@H](Cc1ccccc1)C1CC1 588158898 ZYMKFSUWGKGDSH-KRWDZBQOSA-N 284.403 3.598 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1c1cc(C#N)ccn1 581211821 MUXOGVXBPJDIKG-JSGCOSHPSA-N 257.381 3.604 30 20 CHED N#Cc1cccc(C=NNc2cccc(Cl)c2)c1 839383269 GHMAPTPMMBXEBI-UHFFFAOYSA-N 255.708 3.658 30 20 CHED C[C@@]1(C=NNc2cc(Cl)ccc2[N+](=O)[O-])CCCS1 835009559 VNMZTWSJQWWEMC-LBPRGKRZSA-N 299.783 3.932 30 20 CHED Cc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)nn1C(C)C 835130845 JYRQFLSITZCVSP-ZDUSSCGKSA-N 297.358 3.562 30 20 CHED CCC#C[C@@H](C)Sc1nnc(C)n1Cc1ccccc1 671152379 PPXFEEPOENCYSO-CYBMUJFWSA-N 285.416 3.529 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1cccc(Cl)c1 916255190 IRLORSRMKRPXES-UHFFFAOYSA-N 288.734 3.874 30 20 CHED CCN(C(=O)C[C@H](C)CCC=C(C)C)[C@@H](C)C#N 598347939 BXHUPXOGNCORCP-KGLIPLIRSA-N 250.386 3.520 30 20 CHED CCc1nc2cc(N=Cc3cccc(O)c3O)ccc2o1 917559346 KQSMZDPPPLNKJP-UHFFFAOYSA-N 282.299 3.552 30 20 CHED C#CCN(C(=O)c1cc2cc(C)ccc2[nH]1)C1CCCCC1 744001388 FAROZGLLYKZGQW-UHFFFAOYSA-N 294.398 3.884 30 20 CHED C=C(C)CN1CCC[C@H]1COc1ccc(Cl)cc1 914820916 NQNBZBDZGUKZJB-AWEZNQCLSA-N 265.784 3.759 30 20 CHED C[C@H](CCC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597908958 YHSRIYSUCVCGOI-HZPDHXFCSA-N 284.403 3.723 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1cncc(Cl)c1 598618244 MXGNSYVEJCFRJW-UHFFFAOYSA-N 283.762 3.559 30 20 CHED CCO[C@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 915275419 KUJJOSZDTNVGMG-CYBMUJFWSA-N 295.338 3.556 30 20 CHED C=CCCCC(=O)Oc1cccc(NC(=O)C(C)C)c1 748540035 FARKDFNILXIGNY-UHFFFAOYSA-N 275.348 3.543 30 20 CHED Cc1cccc([C@H](C)NC(=O)N2CCC[C@H](CC#N)C2)c1C 596312783 XJPPEZSJGRDTSS-JKSUJKDBSA-N 299.418 3.700 30 20 CHED COc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)c(C)c1 849248910 ADTIIRCATMMXOM-VMPITWQZSA-N 296.370 3.506 30 20 CHED C=C(C)CON=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 844619048 SMNLNJMPAWCPSN-GFCCVEGCSA-N 276.336 3.742 30 20 CHED CC[C@@H](C)CN(CC)Cn1ccc(-c2ccc(C#N)cc2)n1 748263582 WIKIKKRUTYOSLB-OAHLLOKOSA-N 296.418 3.747 30 20 CHED CC(C)(C)[C@@H](NC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 914121593 NZELIEUCTJPZLB-HOCLYGCPSA-N 299.418 3.719 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)C1(C)C 596218657 KUDOHDZDIREKRN-NXEZZACHSA-N 299.827 3.672 30 20 CHED CCOc1ccc(/C=N/[C@H](C)Cc2ccsc2)c(O)c1 918713151 VURFTODCPHJNFN-YXHQGMJNSA-N 289.400 3.903 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(SC)ccc1C 599745856 HKSTXRILHFYPNH-UHFFFAOYSA-N 276.405 3.985 30 20 CHED Cc1cc(C(=O)CCC(=O)OCCCCC#N)c(C)s1 912955967 BXXCIKQXTBFYHS-UHFFFAOYSA-N 293.388 3.565 30 20 CHED CCCCCC[C@H](C)NN=Cc1cnn(C(C)C)c1 743450873 SHOYXXHWHKZUPP-AWEZNQCLSA-N 264.417 3.746 30 20 CHED C#CCCCNCc1cccc(OCc2ccccc2F)c1 742382716 IIPCAFOOLPDWBS-UHFFFAOYSA-N 297.373 3.908 30 20 CHED C[C@H](SCc1cc2n(n1)CCC2)c1ccc(C#N)cc1 593188493 JQZYNQKHABPPIX-LBPRGKRZSA-N 283.400 3.695 30 20 CHED CC(C)(CO)CSc1ccc(C#N)c(C(F)(F)F)c1 917413278 ZKOFACZVUSGKKK-UHFFFAOYSA-N 289.322 3.688 30 20 CHED C[C@H](COC(=O)C[C@@H](CC#N)c1ccccc1)CC(F)F 842444261 QWZZPWHKUGAHPR-GXTWGEPZSA-N 295.329 3.908 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 747004140 ZINWCWUOPNVBMR-BQYQJAHWSA-N 297.310 3.808 30 20 CHED N#CC1(c2ccc(-c3ccnc(Cl)c3)cc2)CCOCC1 844227879 WLXUEBKALKLWAL-UHFFFAOYSA-N 298.773 3.974 30 20 CHED N#CC1(CC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CCCCC1 597300574 HEQXNWXWDHHWMG-BZUAXINKSA-N 288.435 3.936 30 20 CHED CC[C@@H](NCC1(O)CCC(C)CC1)c1ccc(C#N)cc1 596093685 DKMKBQPPVASGTF-ZCDVPAHGSA-N 286.419 3.540 30 20 CHED CC(C)CCn1cccc1CNCc1cc(C#N)ccc1F 742381637 ALIBPNILNJLZLD-UHFFFAOYSA-N 299.393 3.835 30 20 CHED C/C(=C\C(=O)NC(C)(C)C#N)C12CC3CC(CC(C3)C1)C2 746396260 ZAVQZZJKMKJPCE-UUILKARUSA-N 286.419 3.567 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 593387884 XMDIZALNAACMSV-AEFFLSMTSA-N 292.382 3.636 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCc1ccc(C(C)(C)C)cc1 847172190 KOKZZSHZTPJHBA-MRXNPFEDSA-N 286.419 3.677 30 20 CHED C#CC[C@H](OC(=O)c1cccc(C2CC2)c1)c1ccccn1 847640649 VBBPOTGXYXLJJR-SFHVURJKSA-N 291.350 3.880 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)c1ccc(C)o1 742694056 BLLYNCHFKZINJU-CQSZACIVSA-N 263.381 3.896 30 20 CHED CC(C)c1ccc(C=NOCc2cc3n(n2)CCCC3)cc1 844762819 LIOYUEMMFGUYLE-UHFFFAOYSA-N 297.402 3.894 30 20 CHED CCc1ccc([C@H](NC(=O)[C@H](C#N)CC)C(C)C)cc1 593395511 XWWNYRBVYREPEC-GOEBONIOSA-N 272.392 3.612 30 20 CHED C=CCCCCNC(=O)c1cc2ccccc2cc1OC 681146442 XMPAGEGALNNWCK-UHFFFAOYSA-N 283.371 3.935 30 20 CHED Cc1cc(C#N)ccc1COC(=O)/C=C\c1ccccc1F 748923043 ZQYFHWVOQGLMRQ-HJWRWDBZSA-N 295.313 3.762 30 20 CHED CCC(=NNc1oc(C(C)(C)C)nc1C#N)C(C)C 746497198 CGELMZIBTIWMSS-UHFFFAOYSA-N 262.357 3.678 30 20 CHED C=CC[C@H](NC(=O)N(CCC)C(C)C)c1ccncc1 847317977 BFXMDBIYHJUPJX-HNNXBMFYSA-N 275.396 3.529 30 20 CHED CC(C)C[C@@H](C(=O)O[C@H](C)C#N)c1ccc(Cl)cc1 849871119 MRJFMIUKPARFTD-BXUZGUMPSA-N 279.767 3.925 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)CC(C)(C)C#N 925025973 BVRJSBCNKCIGLG-AWEZNQCLSA-N 272.392 3.669 30 20 CHED C=CC(C)(C)CCOC(=O)c1cnc2n1[C@@H](C)CCC2 851300741 LKPXIUOYJOJYSC-LBPRGKRZSA-N 276.380 3.540 30 20 CHED CCCCCCCNC(=O)NCCC[C@@H]1CCCCO1 858113061 YPQQABKLOUHNFA-HNNXBMFYSA-N 284.444 3.605 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CSc2ccccc21 851210446 VLVULECESDVUFV-AAEUAGOBSA-N 289.400 3.747 30 20 CHED CC(C)c1ccc2occ(C(=O)N3CCC[C@@H](C#N)C3)c2c1 928215755 QIOPBBOSVPQBJZ-ZDUSSCGKSA-N 296.370 3.932 30 20 CHED CC(=NNc1ccccc1)c1cccc([N+](=O)[O-])c1C 756816699 XFKBVJZPEILSHP-UHFFFAOYSA-N 269.304 3.739 30 20 CHED CCCCCCCNC(=O)NCc1oc(CCC)nc1C 858114139 XHFUNNVDWORXNO-UHFFFAOYSA-N 295.427 3.705 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cc(C)ccc1O 750939127 VFCXCRKOIMLMSG-UHFFFAOYSA-N 272.323 3.984 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1C=CCC1 850510369 TXHDKSZRJLGZEB-DOTOQJQBSA-N 252.361 3.634 30 20 CHED Fc1cc(C=Nn2cnc3ccccc32)ccc1Cl 921259164 YGRFPFBQWZEGAE-UHFFFAOYSA-N 273.698 3.711 30 20 CHED CCC1(CC)CCN(C(=O)/C=C/c2ccccc2C#N)C1 755566819 POFWEKHVBPZCAR-MDZDMXLPSA-N 282.387 3.610 30 20 CHED C=C(Cl)COc1nc(-c2ccccc2Cl)no1 750974758 BVKKBVMNFQXTLP-UHFFFAOYSA-N 271.103 3.521 30 20 CHED CSc1ccc2c(c1)CCCC2=NO[C@@H]1CCCCO1 755825652 ZRWHABDEOIQYQF-MRXNPFEDSA-N 291.416 3.992 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1ccc(F)cc1O 757474648 CUXRPPNGGPKOPY-DAXSKMNVSA-N 260.239 3.567 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(-n2cccn2)cc1C 935601324 GGXSEUDBNGZNSS-AWEZNQCLSA-N 283.375 3.722 30 20 CHED C=C[C@@H](CC)CC(=O)NC1(c2ccc(F)cc2)CC1 932003882 XYIAQDPYEMWAHH-LBPRGKRZSA-N 261.340 3.533 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(OC)cc1C 853008573 UGJVSBCOAIAYJX-VMPITWQZSA-N 284.359 3.506 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 753242776 JZEWQMURCSMZEO-GJZGRUSLSA-N 290.794 3.598 30 20 CHED N#CCc1ccccc1C(=O)N1CCCCCCCC1 868737576 APKGQTBVGHHAMG-UHFFFAOYSA-N 270.376 3.549 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccccc2[N+](=O)[O-])C1 768357083 HLMVQHHFGMLKPX-NEPJUHHUSA-N 261.325 3.819 30 20 CHED C=C(Cl)C[C@H](NCc1ccc(CC(C)C)cc1)C(=O)O 864518766 SUORKZHQWGTCGZ-HNNXBMFYSA-N 295.810 3.571 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)c1nnc(C)o1 769212496 RQBGNEHYAJKVKH-LBPRGKRZSA-N 281.400 3.696 30 20 CHED C#CCCN(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 760852448 HUVNVQCCDQGYOM-HXUWFJFHSA-N 293.410 3.554 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CC(C)(C)C[C@@H]1C 766030562 VRZIPZNVZBAQML-JTQLQIEISA-N 290.363 3.617 30 20 CHED Cc1ccc(SCC(=O)[C@@H](C#N)c2ccccc2)cc1 864239645 FZFZRDKWKKTEMC-INIZCTEOSA-N 281.380 3.964 30 20 CHED C#CCCCNc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C 766727200 ZIAQPKKCRUALGA-HNNXBMFYSA-N 298.430 3.692 30 20 CHED Cc1ccccc1C(=NOCC(F)(F)F)C1CC1 764846686 NDCRFAAVDQZVKN-UHFFFAOYSA-N 257.255 3.688 30 20 CHED C=CCCCCNC(=S)N[C@@H](C)c1ccccc1 769760741 QDXIUASHMCUSPA-ZDUSSCGKSA-N 262.422 3.568 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(C(C)C)cc1 861996087 KUHJLZWHEIHJEM-OAHLLOKOSA-N 286.419 3.811 30 20 CHED COc1cc(CNc2ccc3occc3c2)ccc1C#N 864017705 YFXJDVWSSPHYMZ-UHFFFAOYSA-N 278.311 3.925 30 20 CHED C=CCn1cnnc1SCc1ccc(F)c(Cl)c1 1116721294 TXYUVIHEFFNDJB-UHFFFAOYSA-N 283.759 3.549 30 20 CHED N#Cc1cccc(NC(=O)/C=C/c2ccc3[nH]ccc3c2)c1 765522035 ZMIOXRBWZIPLQR-FNORWQNLSA-N 287.322 3.691 30 20 CHED O=C(CC#Cc1ccccc1)N[C@H]1C[C@H]1C1CCCCC1 1116273673 LONMBSMJGJDSON-ROUUACIJSA-N 281.399 3.513 30 20 CHED C=CCCCc1nc([C@@H](C)c2cccc(OC)c2)no1 761825923 VFJBLEXKEUAOQJ-LBPRGKRZSA-N 272.348 3.739 30 20 CHED Cc1cc(OC(=O)c2cccc(F)c2Cl)ccc1C#N 765114071 RKOFWYJKDMHTAO-UHFFFAOYSA-N 289.693 3.878 30 20 CHED CCCCCON=C(C)c1ccc(NC(=O)C2CC2)cc1 766743824 QVOJORMDDGNEIV-UHFFFAOYSA-N 288.391 3.966 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1CCc2c(Cl)cccc21 1117797197 JUTRZMQNUXTALG-CYBMUJFWSA-N 277.795 3.698 30 20 CHED C#CC[C@@H](NCCOc1ccc(C)cc1)c1ccccc1 775400469 JQISJXJUTASQDS-LJQANCHMSA-N 279.383 3.728 30 20 CHED C=CCC[C@@H](C(=O)Nc1cccc(F)n1)c1ccccc1 777790984 JLZHSTLVYNVPHX-CQSZACIVSA-N 284.334 3.909 30 20 CHED COc1cc(/C=C\C(=O)c2cccs2)ccc1F 1116377746 NDBJDTPNJBUSTI-ALCCZGGFSA-N 262.305 3.792 30 20 CHED C#CCSCCN[C@@H](c1ccc(C)o1)C1CCCC1 775634112 RBGZQVDOXUZQBC-MRXNPFEDSA-N 277.433 3.775 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)c1ccc(C)s1 779860068 RRIXLFPNCJYYQK-ZDUSSCGKSA-N 263.406 3.817 30 20 CHED N#CC1(COC(=O)c2cc(C3CC3)nc3ccccc23)CC1 775840256 OBWQPGYIUUWEIV-UHFFFAOYSA-N 292.338 3.573 30 20 CHED Cc1c(Cl)cccc1C=NN[C@H]1CCOC(C)(C)C1 872365977 MCWMDWHLCHMVSI-ZDUSSCGKSA-N 280.799 3.530 30 20 CHED CCc1cnccc1[C@@H](C)/N=C/c1ccccc1O 773147391 FRKNYKNGOJINAQ-MBNTZHJCSA-N 254.333 3.530 30 20 CHED CO[C@@H]1CCC[C@@H]1C/N=C/c1c(O)ccc2ccccc12 774543530 XDKHMWANOCOLBN-LZAHHGRNSA-N 283.371 3.779 30 20 CHED COc1ccccc1C=NN[C@@H]1CCCCC1(C)C 773123808 GRUSRGSDPIUPPA-OAHLLOKOSA-N 260.381 3.588 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1ncoc1C 770756013 OQFNCNWQPOAOMX-CYBMUJFWSA-N 295.427 3.779 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1cc(C#N)ccc1OC(F)F 779910197 GYMLSSFTOUUXAE-KTKRTIGZSA-N 294.301 3.845 30 20 CHED C=C(Cl)CN[C@@H](CC)c1ccc(N(C)C)cc1 773005208 QFVFGDWIHWQMGF-AWEZNQCLSA-N 252.789 3.546 30 20 CHED C#CCCCCCC(=O)N(CC(F)(F)F)c1ccccn1 779860564 BSUXLZJCEIOUSN-UHFFFAOYSA-N 298.308 3.561 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(C)c(C)cc1O 778585273 OGLYMIXIJIBXBN-UHFFFAOYSA-N 285.387 3.833 30 20 CHED C=CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccncc1 776156943 MVFNCAQRJCKUEJ-RDTXWAMCSA-N 277.371 3.921 30 20 CHED CC[C@@H](C)CN(C)c1nc(C(C)(C)C)ccc1C#N 1559105999 JNWKICLFYLNOIK-GFCCVEGCSA-N 259.397 3.733 30 20 CHED C#CCCCCN[C@H]1CCCOc2c(Cl)cccc21 773038526 SNOLFBDLIMAZGJ-HNNXBMFYSA-N 277.795 3.947 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc2c(c1)OC(=O)C[C@H]2C 785365267 KXRMTKCWOKPHRE-PIGZYNQJSA-N 288.343 3.607 30 20 CHED Cc1cc2ccccc2nc1NN=C[C@H]1CCSC1 782267523 JWVGBBPIUDOMRP-GFCCVEGCSA-N 271.389 3.694 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](c1ccccc1)C1CCCC1 788037831 BJNORDLQTHUESQ-RHSMWYFYSA-N 284.403 3.581 30 20 CHED CC(C)(CC(F)(F)F)Nc1snc(Cl)c1C#N 780640113 UAWVWMFTLQOKTK-UHFFFAOYSA-N 283.706 3.811 30 20 CHED COCCON=C(C)c1ccccc1SC(C)(C)C 788433288 LXPPFBDDCOTTCZ-UHFFFAOYSA-N 281.421 3.964 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 890456933 PNITVAPGQJYQJA-UHFFFAOYSA-N 297.402 3.637 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cnn(C3CCC3)c2)co1 899371474 QEXUXLVXRDXOIV-VOTSOKGWSA-N 285.347 3.616 30 20 CHED Cc1cc(C)nc(C[S@@](=O)CCCCC(C)(C)C#N)c1 899439676 HCVVDMBZZVPNOE-FQEVSTJZSA-N 292.448 3.667 30 20 CHED C=CCCC(=O)OCCCc1ccccc1Cl 785289698 CFJXBFIEPIOXLN-UHFFFAOYSA-N 252.741 3.782 30 20 CHED C=C(C)COc1cccc(NCc2cn(CC)nc2C)c1 892363440 CKARGBOANRXOBM-UHFFFAOYSA-N 285.391 3.778 30 20 CHED CC(=NNC1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 786043282 MKOHBPGPQIJWHE-GOSISDBHSA-N 299.462 3.807 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)C1CCCCCCC1 782387306 FEBKINKXZKNFQV-KRWDZBQOSA-N 281.440 3.787 30 20 CHED C=CCCC[C@H](N)c1nc(-c2cccc(Cl)c2)no1 899993945 RQZZKFSLUADSAC-LBPRGKRZSA-N 277.755 3.746 30 20 CHED CC[C@H](C)NN=C1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]12 790183963 PWMURLAMUCDNDC-RYQLBKOJSA-N 299.462 3.663 30 20 CHED N#Cc1c[nH]c2ncc(-c3cc(F)cc(Cl)c3)cc12 98181275 HMILHEGYUDIANM-UHFFFAOYSA-N 271.682 3.894 30 20 CHED C#Cc1cccc(N(CC)C(=O)C2CCCCC2)c1 103028719 QGGXLVQIRFGHJB-UHFFFAOYSA-N 255.361 3.601 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cnn(C(C)C)c2)c(O)c1 799895277 OERYZSASYUUMSA-WAYWQWQTSA-N 284.359 3.683 30 20 CHED O=C(/C=C\c1ccnc(Cl)c1Cl)c1ccc(O)cc1 791433755 IAANTNRGWMQCCD-UTCJRWHESA-N 294.137 3.990 30 20 CHED C=CCCCCC[C@H](C)NC1CCN(C(C)C)CC1 793533588 OBQILXCAIACPNP-INIZCTEOSA-N 266.473 3.974 30 20 CHED CC(C)CCn1cccc1C=NNc1ncccc1F 794980882 RAPPDIYBLLMVMC-UHFFFAOYSA-N 274.343 3.514 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1cc(Cl)ccc1O 794941314 NTQUODDUKINDGY-GQCTYLIASA-N 290.750 3.719 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1ccc(Br)cn1 793115072 PIEZPKWJAIZZMN-JTQLQIEISA-N 298.228 3.592 30 20 CHED C#CCCCN[C@@H](C)c1cc(Br)cs1 194061357 JOSNVCRCHAJULS-VIFPVBQESA-N 272.211 3.575 30 20 CHED C[C@]1(c2ccccc2)CCC(=NNc2ncncc2F)C1 793224914 BVGDCWQHXNEVSR-INIZCTEOSA-N 284.338 3.525 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1cc2c(C)nn(C)c2s1 793112104 PGUHLTMXIYNGBJ-NSHDSACASA-N 292.452 3.691 30 20 CHED Cc1cc(F)c(F)cc1OC(=O)c1ccc(CC#N)cc1 791406836 INKLEFZLGKAGTJ-UHFFFAOYSA-N 287.265 3.559 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC23CCC3)c(Cl)c1 799878000 IXHWOPZDTCMUAY-UHFFFAOYSA-N 279.727 3.980 30 20 CHED C#C[C@H](CCC)NC(=O)N(CCC)Cc1ccc(F)cc1 791059798 UTUGBVYKZINJPQ-MRXNPFEDSA-N 290.382 3.549 30 20 CHED Cc1nc(C=NN2CCC(C(C)(C)C)CC2)cs1 790178712 JDGOSCOFGRMKQS-UHFFFAOYSA-N 265.426 3.544 30 20 CHED C=CCN(Cc1cncc(Br)c1)C(C)(C)C 661756440 PENYQPYTHJYDIS-UHFFFAOYSA-N 283.213 3.631 30 20 CHED C#CCCN[C@@H](c1ccccc1)c1ccc(F)cc1 70245575 IPCRVVAGXWUVTD-KRWDZBQOSA-N 253.320 3.528 30 20 CHED CCc1cnccc1C(=O)/C=C\c1c(F)ccc(O)c1F 794945313 IAWYYPRHRYIZDC-HYXAFXHYSA-N 289.281 3.524 30 20 CHED N#Cc1cnnc(NCC2CCC(c3ccccc3)CC2)c1 1306962500 HVBNEPFJSGNGTN-UHFFFAOYSA-N 292.386 3.734 30 20 CHED CC[C@H](c1ccccc1)c1nnc(C#CC(C)C)o1 1329326517 TYLVYWNFWBQDLT-CQSZACIVSA-N 254.333 3.619 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)cn1)C1CCCCC1 1320776302 FDNLZSVXWCDKCG-UHFFFAOYSA-N 286.375 3.603 30 20 CHED CC[C@H](CNc1cccc(CC#N)n1)Oc1cccc(C)c1 1324085358 NVDSZLAXSHJVIV-MRXNPFEDSA-N 295.386 3.726 30 20 CHED CC1=CC(=NNc2ccc(C(C)(C)C)nn2)CCC1 1322974033 DYRUSTZQYMZTNA-UHFFFAOYSA-N 258.369 3.672 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(F)cc1C(F)(F)F 1329175687 ZNOYJQQGQNFRKX-GXSJLCMTSA-N 291.288 3.696 30 20 CHED CC(C)CN(CCC#N)Cc1c(Cl)cccc1N(C)C 1320058579 JSSSDCVSTPIGRN-UHFFFAOYSA-N 293.842 3.778 30 20 CHED Cc1cc(C#N)ccc1CSCc1ncc(Cl)n1C 1255249355 FRLXBSBZKWPUOF-UHFFFAOYSA-N 291.807 3.687 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1(C#N)CC1 1336267161 BBUFEOSMVTXVNK-HOCLYGCPSA-N 254.377 3.558 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Cc1ccsc1C 1339034479 NCQSKCWPPCWKHO-CQSZACIVSA-N 263.406 3.556 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CC(C)(C)c1ccccc1 1338328885 NDSXXVVQLSLBKO-HNNXBMFYSA-N 272.392 3.505 30 20 CHED Cc1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)c2ncccc12 1343255846 NPLJKRIWDFLEOQ-AWEZNQCLSA-N 282.343 3.638 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@H]2CCC=C)c1 1344565133 LRXFFOHPKSTJRF-MRXNPFEDSA-N 268.360 3.630 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)nc1Cl 1344761467 IXCFPJFCCACNPU-LLVKDONJSA-N 279.771 3.616 30 20 CHED C=CCOc1ccc(CNC(=N)Nc2ccccc2C)cc1 1346588303 DPWNZZMLTDTXKG-UHFFFAOYSA-N 295.386 3.696 30 20 CHED C=C(C)CCC(=O)N1CCC(c2cccc(OC)c2)CC1 1353595045 BONJMNXPBGMFOI-UHFFFAOYSA-N 287.403 3.758 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 1271872067 JHGRJOKQIKKNRN-IUODEOHRSA-N 293.370 3.727 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(-n3cccc3)c2)C1 1436649826 RIFAXJPPMXVEFW-RHSMWYFYSA-N 294.354 3.716 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C2CCC2)cc1 1355088548 LNMARHUIEZNVGM-MRXNPFEDSA-N 270.376 3.718 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cc(Cl)cs2)c1 1436644966 SGAGESWSGHTXQX-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCC[C@@H](Sc1ccc(C#N)c(C)c1)C(=O)OCC 1459142224 MXJHESOTNDRQQJ-CQSZACIVSA-N 277.389 3.691 30 20 CHED COc1cc(C)cc(CNc2nc(C#N)c(Cl)s2)c1 1458273395 DKPVXIOMABUWDY-UHFFFAOYSA-N 293.779 3.597 30 20 CHED C=C(CC)C(=O)N[C@@H]1CCc2c(Br)cccc21 1527652402 SEVDTOAZQNZSGH-CYBMUJFWSA-N 294.192 3.519 30 20 CHED CC[C@@](C)(NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1529689744 KQTKVGSGBGLVEY-GOSISDBHSA-N 296.345 3.753 30 20 CHED C=CCCC[C@@H](C)Sc1nc(C(=O)O)cs1 1602862649 HITWFAWXKKGGEJ-MRVPVSSYSA-N 257.380 3.678 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(CC)CCCC 1539798016 ACTXTYMZUFTGEJ-UHFFFAOYSA-N 282.819 3.534 30 20 CHED Cc1ccc(C[C@@H](C)Nc2snc(C)c2C#N)c(C)c1 1559104525 NKLVJMZPLQPTQN-GFCCVEGCSA-N 285.416 3.983 30 20 CHED CC(C)(C)CCCN1CCN(c2ccc(C#N)cc2)CC1 1620507367 JWZFPMGSZJOZPL-UHFFFAOYSA-N 285.435 3.507 30 20 CHED C#CCCCCC(=O)N(CC)Cc1ccccc1C 119568868 RBLSJXQRJCQRHV-UHFFFAOYSA-N 257.377 3.537 30 20 CHED CSCCCCCNc1nc2c(cc1C#N)CCCC2 229570276 IWDRQQROWXOGQO-UHFFFAOYSA-N 289.448 3.777 30 20 CHED C=C(Br)CNCc1c(C)cc(Cl)cc1C 1655563797 YKOVJULZAJXERJ-UHFFFAOYSA-N 288.616 3.955 30 20 CHED Cc1c(C#N)c(SCCC(C)C)nc2c1CCC2 1652516690 UWINACATXQJHIQ-UHFFFAOYSA-N 260.406 3.889 30 20 CHED CC[C@H](CC#N)NCc1ccc(OC)c(C(C)(C)C)c1 1658141114 SLXUVKOHOUZTMF-CQSZACIVSA-N 274.408 3.775 30 20 CHED C=CCC[C@@H]1CCCN1Cc1cc(Cl)cc(C(=O)O)c1 1776170770 QIXWSFNFRBITQH-OAHLLOKOSA-N 293.794 3.969 30 20 CHED C[C@]12C[C@H]1CCCC2=NNc1ccc(F)c(C(=O)O)c1 1776062771 JLZGNPPNVATZQF-PSLIRLAXSA-N 276.311 3.502 30 20 CHED C=CCN(CCC)[C@H](C(=O)O)c1ccc(F)cc1Cl 1776179843 UXQZXEJRAZECGG-ZDUSSCGKSA-N 285.746 3.503 30 20 CHED N#Cc1cccc(OCc2ccc3ncccc3c2)c1 20248355 CTUUZRLQJHOGAV-UHFFFAOYSA-N 260.296 3.685 30 20 CHED CCO[C@@H](C)c1nccn1CC#Cc1ccc(Cl)cc1 161552738 TWBOOPZRTLIXKU-ZDUSSCGKSA-N 288.778 3.686 30 20 CHED N#Cc1ccc(OC(=O)c2coc3ccccc23)c(F)c1 158073090 OASUAAGTLCLEAO-UHFFFAOYSA-N 281.242 3.663 30 20 CHED CC(C)(C)c1noc(CSc2cccc(C#N)c2)n1 158663055 FRJMTGLTZHVDAZ-UHFFFAOYSA-N 273.361 3.531 30 20 CHED C=C(C)CN1CCC(N[C@H]2c3ccccc3C[C@@H]2C)CC1 152980676 JXRXORUMKDONNU-HNAYVOBHSA-N 284.447 3.550 30 20 CHED CCOc1cccc(CN(CCC#N)Cc2ccco2)c1 159541387 VSPLXICUCSNHJO-UHFFFAOYSA-N 284.359 3.594 30 20 CHED Cc1cccc2c1CC[C@@H]2N[C@H](C)CC(C)(C)C#N 925370032 KDFPVPUCOLJRTD-CJNGLKHVSA-N 256.393 3.900 30 20 CHED C[C@@H]1[C@@H](Nc2cccc(OCC#N)c2)CCC[C@H]1C 252195529 SHKHMDVTMDBLSK-WWGRRREGSA-N 258.365 3.826 30 20 CHED N#Cc1ccc(CNc2cc(Cl)cc3cccnc23)o1 157499506 YOFJZAUMTAMOIB-UHFFFAOYSA-N 283.718 3.965 30 20 CHED COc1cc(C#N)ccc1NCc1cc(Cl)ccc1F 160891068 UYYMJASAOXWHIE-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#CCCCOc1cccc(NC(C2CC2)C2CC2)c1 37777347 HGNMHXNDMLBRGM-UHFFFAOYSA-N 270.376 3.970 30 20 CHED Cc1cc(Oc2ccccc2C#N)nc(C(C)C)n1 301073157 NXBWDIACSFZFRW-UHFFFAOYSA-N 253.305 3.572 30 20 CHED C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1C 302180231 DVDVYNOKVZYASJ-NXEZZACHSA-N 268.282 3.812 30 20 CHED CC(C)=CCCNc1nc2c(cc1C#N)CCCC2 302704689 JBEHYFRQGJBGSS-UHFFFAOYSA-N 255.365 3.600 30 20 CHED Cc1cc(C#N)cc(NCc2ccc3[nH]ccc3c2)c1 308154069 NMLWUAPTWANENO-UHFFFAOYSA-N 261.328 3.960 30 20 CHED COc1ccc(C)cc1CNc1cccc(CC#N)c1 313431707 WTEPRDPXRCAWDW-UHFFFAOYSA-N 266.344 3.682 30 20 CHED C=C[C@H](Sc1ccc(Cl)cc1Cl)C(=O)O 322749704 CZTIKBGPPFVFGN-QMMMGPOBSA-N 263.145 3.725 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc2cscc2s1 528027729 DKOBIUAFSVPKAP-VIFPVBQESA-N 278.402 3.585 30 20 CHED CC[C@]1(C)CCCN(c2nccc(C#N)c2Cl)C1 342261322 AQLSFWAETUZWRB-CQSZACIVSA-N 263.772 3.623 30 20 CHED CN(c1nc(Cl)c(C#N)s1)[C@@H]1CCC(C)(C)C1 804681167 DDEOLACQKZWMAI-MRVPVSSYSA-N 269.801 3.683 30 20 CHED CC[C@@H]1C[C@@H](C)CN1c1nc(C)c(C#N)cc1Cl 399561690 LUYRXYQEJGMLMM-BXKDBHETSA-N 263.772 3.540 30 20 CHED C=CC12CC(B3OC(C)(C)C(C)(C)O3)(C1)[C@@H]2C1CC1 2090608711 MWBAZKFWUPSCLP-UWTIGNOOSA-N 260.186 3.825 30 20 CHED CC(C)c1ccc2c(c1)/C(=N/Nc1ccc(F)cc1)C(=O)N2 6675036 BBJKMNKFCHAVEW-UHFFFAOYSA-N 297.333 3.717 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)C2CCCCC2)cc1 7905579 HLWTWNSKZTZTSQ-DHZHZOJOSA-N 258.317 3.547 30 20 CHED CC(C)(C)Oc1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)cc1 179892107 GKFZPYGUOCEPSS-WFASDCNBSA-N 287.359 3.713 30 20 CHED CCc1cc(CN(CC)CCC#N)c(O)c(C(C)(C)C)c1 60159893 WHPNIDJLPYTFIC-UHFFFAOYSA-N 288.435 3.988 30 20 CHED CCCOc1ccc(NC(=O)c2ccc(C#N)cc2)c(C)c1 55989989 RXQJIXDUSTXUCJ-UHFFFAOYSA-N 294.354 3.908 30 20 CHED N#Cc1cc(NC(=O)c2nc3ccccc3s2)ccc1F 119300306 AHWCIMFPUCNDGW-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(C#N)c2)c1 56000483 GEFADCSMGAMDJB-SFHVURJKSA-N 290.366 3.844 30 20 CHED CC[C@@H](C)N(C)Cc1cccc(OCCCC#N)c1 179323485 HJQOUORVGGHJHJ-CQSZACIVSA-N 260.381 3.599 30 20 CHED CCCCCCCn1cnc2sc3c(c2c1=O)CCC3 101912522 VPSOZYNPTWHOES-UHFFFAOYSA-N 290.432 3.917 30 20 CHED C[C@@H](C(=O)Nc1sccc1C#N)c1ccccc1F 108956725 CCXQJWSCFWYGLX-SECBINFHSA-N 274.320 3.501 30 20 CHED C[C@@H](Sc1nnnn1C1CCCC1)c1ccc(C#N)cc1 118174362 OGZJHQSXQKERFY-LLVKDONJSA-N 299.403 3.513 30 20 CHED CS[C@H]1CC[C@H](Nc2nc(C)c(C#N)cc2Cl)C1 311054636 XWNCFUBTTCSBMP-QWRGUYRKSA-N 281.812 3.611 30 20 CHED CC(C)c1ccc(C[S@@](=O)CCCCC#N)cc1 170982551 LUDFGIMLVXHYHZ-SFHVURJKSA-N 263.406 3.753 30 20 CHED C=C(C)CN1CCCc2cc(OC(F)F)ccc21 65597235 IQWOJXSGFUIEJX-UHFFFAOYSA-N 253.292 3.617 30 20 CHED CN(C(=O)CSC1CCCCC1)C1(C#N)CCCCC1 60871872 NZZDCLMHGLZRCV-UHFFFAOYSA-N 294.464 3.737 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 175655926 DYSBWWGSWANBAD-KRWDZBQOSA-N 271.404 3.885 30 20 CHED CCN(Cc1ccc(Cl)c2cccnc12)C[C@@H](C)C#N 66425042 SKIOUJNUUNBXLE-LBPRGKRZSA-N 287.794 3.870 30 20 CHED CC(C)c1nc2ccc(Nc3ccc(C#N)nn3)cc2s1 302005965 TXCFWRPOWDCSDC-UHFFFAOYSA-N 295.371 3.825 30 20 CHED Cc1ccc(N/C(N)=N/CC(C)(C)c2ccc(F)cc2)cc1 303971399 DPSCBVCZAPTFLB-UHFFFAOYSA-N 299.393 3.839 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)C1(C#N)CCCCC1)CCC2 179747061 BCXJTZQXDIAAEC-QGZVFWFLSA-N 296.414 3.963 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C[C@@H]1C=CCC1 119962700 GYEFOFUSTSCJDZ-CQSZACIVSA-N 273.351 3.697 30 20 CHED C#CCCCN[C@@H](C)[C@@H](C)c1nc2ccccc2s1 178057522 MIGMLHWKHZGVEY-OLZOCXBDSA-N 272.417 3.791 30 20 CHED CCc1ccc(-c2ccc(C(=O)N[C@H](C#N)CC)o2)cc1 172954061 SSRUHMUNLMFZGM-AWEZNQCLSA-N 282.343 3.541 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CCC[C@H](C(F)(F)F)C1 302439283 MSZYIRNWZKLXQM-STQMWFEESA-N 293.292 3.963 30 20 CHED N/C(=N/CCCc1c[nH]c2ccccc12)Nc1ccccc1 304017457 WYPFWVWKZZEHDW-UHFFFAOYSA-N 292.386 3.527 30 20 CHED Cc1nc2c(s1)[C@@H](N(C)CCC(C)(C)C#N)CCC2 119919487 ZOERLHPGLFRHCG-ZDUSSCGKSA-N 277.437 3.701 30 20 CHED CC(=O)c1cc(F)ccc1N(C)Cc1cccc(C#N)c1 61953539 BMEVZPXUSGJNBU-UHFFFAOYSA-N 282.318 3.536 30 20 CHED N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1 61889445 GXTBROOTITVAGK-JOYOIKCWSA-N 297.280 3.519 30 20 CHED N#Cc1ccc(N[C@H]2CCCSC2)c(Br)c1 61577591 XLVGTCRGRJROBI-JTQLQIEISA-N 297.221 3.628 30 20 CHED C=C1CCN(CCSc2ccc(F)cc2)CC1 519445229 LHTAWCJDOAMBIY-UHFFFAOYSA-N 251.370 3.570 30 20 CHED N#Cc1ccc(CNc2ccc(-n3ccnc3)c(F)c2)s1 121368035 NZAPFWOJPSSNAF-UHFFFAOYSA-N 298.346 3.557 30 20 CHED C=C(C)[C@@H](N[C@H](C)CCCOC)c1ccc(F)c(F)c1 186454802 FTYUMLUMOUSFEL-MLGOLLRUSA-N 283.362 3.987 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)o1 120721428 XWJNRITWWYEGBU-UHFFFAOYSA-N 268.360 3.872 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCO[C@H](CCC)C1 180686215 WSPAUZGSOFGVDJ-JKSUJKDBSA-N 281.440 3.787 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 475495182 SBIQOLNUNSODGY-GFCCVEGCSA-N 276.767 3.976 30 20 CHED Cc1ccc(CCN[C@H](C)c2ccc(OCC#N)cc2)cc1 181998999 GMNNWPKLCOWFNY-MRXNPFEDSA-N 294.398 3.791 30 20 CHED C=CCC[C@H](O)CN(CC)Cc1ccc(Cl)s1 121265652 GEUVGSGLKNGDCO-NSHDSACASA-N 273.829 3.551 30 20 CHED C[C@H](CCc1ccccc1F)C(=O)[C@H](C#N)c1ccccn1 76825617 KSBZVQJTJSGHQF-UKRRQHHQSA-N 296.345 3.666 30 20 CHED CC[C@@H](C#N)Sc1nccn1-c1cccc(C)c1C 127248072 ZLXQTMFBCPVHGJ-ZDUSSCGKSA-N 271.389 3.883 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 218681497 OJIQFETVNXAAKW-HNNXBMFYSA-N 274.408 3.528 30 20 CHED C=CCN(C(=O)CCCc1c[nH]c2ccccc12)C(C)C 37501911 LHCKADSLDWDAGT-UHFFFAOYSA-N 284.403 3.914 30 20 CHED CC[C@H](CC#N)NCc1ccc(C(F)(F)F)s1 432919528 UKQKNGLCVVUECB-MRVPVSSYSA-N 262.300 3.549 30 20 CHED CCC(CC)CN(CCC#N)Cc1csc([N+](=O)[O-])c1 72692893 FXROFWJWWSJFCA-UHFFFAOYSA-N 295.408 3.808 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1cccn1C 186262078 REOURZMVNHNUTE-SFHVURJKSA-N 279.387 3.542 30 20 CHED C[C@H](CC(=O)OCC1(C#N)CCC1)c1ccc(F)cc1F 183840112 OKKGZPZKVPUCSE-LLVKDONJSA-N 293.313 3.695 30 20 CHED Cc1cc(NC(=O)C[C@@H]2CCC[C@H]2C)c(C#N)cc1N(C)C 415687740 FVDVEYLLPKFSTD-OCCSQVGLSA-N 299.418 3.698 30 20 CHED Cc1ccc(C)c(/C=C2/COc3ccccc3C2=O)c1 33620962 HWENAVWLQXQMSU-GDNBJRDFSA-N 264.324 3.962 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1F 488822052 VEEXKMSMOVPYDA-SNVBAGLBSA-N 267.731 3.660 30 20 CHED CC#CCCCC(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 184502266 YCJUOQXHMOESSM-UHFFFAOYSA-N 297.358 3.643 30 20 CHED C=CCC[C@@H](NCCCCN1CCC(C)CC1)C1CC1 120201496 LRSPYGATKPGNLN-GOSISDBHSA-N 278.484 3.833 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1ccco1)c1ccccc1 123243034 QAFUGPNLVVTDOB-AWEZNQCLSA-N 269.344 3.598 30 20 CHED N#Cc1ccccc1CNc1cc(F)cc(Cl)c1 128490607 IVNWWYMJLBDJRN-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCC[C@H]1c1ccccc1 410877326 POHQJKUAFDETTD-JYJNAYRXSA-N 284.403 3.625 30 20 CHED Cc1cncc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])c1 184771682 MFNGKFGMPAIFII-DLYLGUBQSA-N 294.310 3.751 30 20 CHED COC(=O)c1cccc(CSc2ccccc2C#N)c1 73771660 STHFRAGAOPNOAZ-UHFFFAOYSA-N 283.352 3.637 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(C#N)c2)C1 505063626 RNDLSDPWAOFBKT-HOCLYGCPSA-N 270.376 3.503 30 20 CHED CCOC(C)(C)C/N=C/c1c(O)ccc2ccccc12 186944721 DKKAPNRPGOOFHD-WOJGMQOQSA-N 271.360 3.779 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2cc(C)ccc2F)cc1 180456427 JPXVLXVGLKJPAP-UXBLZVDNSA-N 297.329 3.989 30 20 CHED C[C@@H](CCC#N)N1CCC(C)(c2ccccc2)CC1 411398422 BUECOFCNIKZEAJ-HNNXBMFYSA-N 256.393 3.732 30 20 CHED CC#CCCCC(=O)N1CCc2c1cccc2C(F)(F)F 186058311 IWMGYBQBSXWBOE-UHFFFAOYSA-N 295.304 3.788 30 20 CHED C[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)CC(F)(F)F 414278611 IDHPPFKHNSMBTJ-VHSXEESVSA-N 288.288 3.936 30 20 CHED C=C(C)COc1ccc(C(C)=O)cc1Br 218671393 TUBZRXWWHQXXDC-UHFFFAOYSA-N 269.138 3.607 30 20 CHED CCc1c(C)sc(NC(=O)[C@H](C)C2CCC2)c1C#N 410435622 QABYIEFJRWTZGN-SECBINFHSA-N 276.405 3.865 30 20 CHED N#CCC(=O)NC1(c2ccc(Cl)cc2)CCCCC1 184702147 XUGVSYQPIKBWLS-UHFFFAOYSA-N 276.767 3.529 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)CCc1ccccc1F 410141793 IOPCEWQFIQDHLU-ZFWWWQNUSA-N 277.383 3.865 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCCC[C@H]1OC(F)F 503935144 BFFKDGNZECUNEH-WUHRBBMRSA-N 261.356 3.727 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](C)CSC)c1ccccc1 133862747 IHLDHIVLRVXRMX-ZFWWWQNUSA-N 277.433 3.809 30 20 CHED C=C(C)COC(=O)c1cnc(Cc2ccccc2F)s1 185104770 HIUFCMPZPSWHEE-UHFFFAOYSA-N 291.347 3.606 30 20 CHED Cc1nc2ccccc2cc1OCC1(C#N)CCC1 419030559 HZUDMXVVUKPTHA-UHFFFAOYSA-N 252.317 3.616 30 20 CHED C=C(Cl)CN[C@@H]1CCSc2c(F)cccc21 135864883 NDEHIZVHTYSRMK-LLVKDONJSA-N 257.761 3.705 30 20 CHED C[C@H](NCCCCN1CCC[C@@H](C)C1)c1ccc(C#N)cc1 181511493 SOUAXIIHEQHHFR-SJORKVTESA-N 299.462 3.721 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1nsc2ccc(C)cc12 508645763 OXBFQAZVVQQOME-LBPRGKRZSA-N 286.400 3.785 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccccc1 45934997 ZZJYZCMSTBWSER-MRXNPFEDSA-N 295.382 3.669 30 20 CHED CC1(C)CCC[C@@H]1/C(O)=N/[C@@H]1CCC(O)=NC12CCC2 328739298 LEMRJWBUYXUDOI-VXGBXAGGSA-N 278.396 3.811 30 20 CHED CC(C)[C@@H]1CCC[C@H](/N=C(/O)c2csc(O)n2)CC1 329936241 KVOKIWWAAVJLHA-MNOVXSKESA-N 282.409 3.758 30 20 CHED N#Cc1ccc(Cl)c(C(=O)NCCCC2CCCC2)c1 505252920 BETITYNEKKQYTI-UHFFFAOYSA-N 290.794 3.912 30 20 CHED C=CCn1c(CCCC)nnc1N(C)Cc1cccs1 508861740 BQEAOJNXDDUFRG-UHFFFAOYSA-N 290.436 3.505 30 20 CHED CC[C@H]1CCCC[C@@H]1C(O)=Nc1nc2cccnc2n1C 329402035 YJSMAPZBHQFMPB-RYUDHWBXSA-N 286.379 3.773 30 20 CHED CC1(C)CCCC[C@@H]1C/C(O)=N/[C@H]1CCc2nc[nH]c2C1 328930322 HMKJBMCNICIRDV-OLZOCXBDSA-N 289.423 3.830 30 20 CHED CC(C)(C)[C@H]1CCCN1Cc1cc(C#N)ccc1F 525785699 HRUXUVPREWLELR-OAHLLOKOSA-N 260.356 3.708 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C(C)(C)C2CCC2)cc1 410864919 NKJJFJFHXRSSBG-MRXNPFEDSA-N 284.403 3.756 30 20 CHED CCC1(CC)CCC(/N=C(/O)c2csc(O)n2)CC1 329912448 BGSGLBPPKAEEAI-UHFFFAOYSA-N 282.409 3.902 30 20 CHED COCC[C@@H](C)CN[C@H]1CCCCc2cc(C#N)ccc21 414206742 QCHLAXGHRPQPFP-KDOFPFPSSA-N 286.419 3.588 30 20 CHED C=C[C@@H](CC(=O)N(C(C)C)C(C)C)c1ccccc1 89763900 PRGOUBGFFYLUEI-HNNXBMFYSA-N 259.393 3.992 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 511701762 RIABXSYQIXZGNT-UONOGXRCSA-N 277.795 3.914 30 20 CHED CC(=O)c1ccc(OCC2(CC#N)CC2)c(Cl)c1 132577130 KWJNYIYGMQTOAY-UHFFFAOYSA-N 263.724 3.615 30 20 CHED C=CCC[C@H](NCCC(O)(CC)CC)c1ccco1 519725902 RXSXCYJLIVBFRT-AWEZNQCLSA-N 265.397 3.818 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)cc2F)s1 134513669 YRVKUBVRXPOFFN-GORDUTHDSA-N 275.279 3.794 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(C)c(C)c1 514960033 FLUNUROMAMVAGU-HNNXBMFYSA-N 289.444 3.985 30 20 CHED N#CC1(CSCCC(=O)Nc2cccc(F)c2)CCC1 516168357 KUFPKAPJFDFBHF-UHFFFAOYSA-N 292.379 3.581 30 20 CHED N#Cc1cc(NCCOc2ccc(F)cc2)ccc1Cl 514765470 MVFDIZDPAADENI-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C#CCCCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 192137075 PGGAUUCPCMRGMK-BBRMVZONSA-N 273.351 3.539 30 20 CHED Cc1ccc([C@H]2CCCN2c2ncc3c(c2C#N)CCC3)o1 425232661 UYBPMSFQDKUYNC-MRXNPFEDSA-N 293.370 3.685 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@@H](C)Cc1cccs1 426026345 ZACVKXXJTFAPMK-KBPBESRZSA-N 292.448 3.677 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)c2cccnc2)C1 424325960 LKIVNCAFUNYSDU-MORSLUCNSA-N 295.361 3.592 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2cc(C#N)cs2)c1 84112519 OAIJYYWHWYILEH-UHFFFAOYSA-N 284.384 3.593 30 20 CHED C#CCCCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 192137064 PGGAUUCPCMRGMK-XJKSGUPXSA-N 273.351 3.539 30 20 CHED C=C[C@@H]1OCCC[C@H]1Nc1ncnc2c1oc1ccccc12 514992933 HNKURTCCRAUGMO-OLZOCXBDSA-N 295.342 3.522 30 20 CHED Cc1cc(OCc2cccc(F)c2C#N)ccc1F 427564765 KYUJEHSLCAYMPN-UHFFFAOYSA-N 259.255 3.724 30 20 CHED N#Cc1csc(CNc2cc(C(F)(F)F)ccn2)c1 192148748 SCZUILFWGCMSJT-UHFFFAOYSA-N 283.278 3.646 30 20 CHED Cc1cc(NC[C@]2(C)C[C@H]2c2ccccc2)cc(C#N)n1 338741830 OMFYHFVZDYVITM-ROUUACIJSA-N 277.371 3.867 30 20 CHED C#CCCCCC(=O)N1CCC=Cc2ccccc21 190101811 RNUVRGFLBVTVHQ-UHFFFAOYSA-N 253.345 3.630 30 20 CHED C[C@@H](C#N)CNC(=O)CCCc1ccc(Cl)c(Cl)c1 518357091 KWGYQYLRWMQLBT-JTQLQIEISA-N 299.201 3.592 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 515873552 UZESUZYGOZXHOC-DZKIICNBSA-N 287.378 3.777 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2scnc2c1 424631676 ARFXJEUJUBSWNQ-UHFFFAOYSA-N 260.362 3.837 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2nc3c(cc2C#N)CCCC3)C1 332117956 DEYLJJSKPQBCOB-ZDUSSCGKSA-N 297.402 3.597 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(Cl)s1 424544020 NBTPYLMJNHSNSY-UHFFFAOYSA-N 271.813 3.962 30 20 CHED Cc1c(NC(=O)[C@H]2CCC[C@@H](C)C2)ccc(C#N)c1C#N 421563215 WTIUPDMPUCRSPT-YPMHNXCESA-N 281.359 3.503 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCc2ccc(C)cc21 514132645 NVYYDQIYKQZSRS-KRWDZBQOSA-N 286.419 3.980 30 20 CHED C=CCCOCC(=O)N1CCC[C@H]1CC1CCCCC1 145835323 KMGQXGVXHVOPDW-INIZCTEOSA-N 279.424 3.541 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc2c(OC)cccc12 435600603 DQPGULARYAXTCW-ACJLOTCBSA-N 298.386 3.637 30 20 CHED C=CCC[C@@H](C)NCc1cccc(C(F)(F)F)n1 294683665 BSSBMPROEWGVBA-SNVBAGLBSA-N 258.287 3.545 30 20 CHED N#CCC1(CNCc2ccc(Cl)cc2Cl)CC1 430041464 VOZGUICAHGTSCS-UHFFFAOYSA-N 269.175 3.777 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1cc(C#N)oc1C 436182689 HNQXJZCWQWKLKQ-ZDUSSCGKSA-N 276.380 3.796 30 20 CHED CC(C)C1CCN([C@H](C(=N)O)c2ccc(C#N)cc2)CC1 331273652 HNIIYDSPVBIXMF-INIZCTEOSA-N 285.391 3.503 30 20 CHED N#CCC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 336507262 KULYGJCZSNPOPR-UHFFFAOYSA-N 296.414 3.651 30 20 CHED C=CCCOCCN[C@H]1C[C@H](C)Sc2sccc21 90883962 OIONLBSQKNPCCB-AAEUAGOBSA-N 283.462 3.856 30 20 CHED CCSc1nnc(N=C(O)C[C@@H]2C=CCCC2)s1 330168532 CSHJBYRNKPFYMT-SECBINFHSA-N 283.422 3.985 30 20 CHED C=C(C)CNC/C(C)=C/c1ccccc1OC(F)F 521120951 SAWORFSSDYMCOX-XYOKQWHBSA-N 267.319 3.857 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 246691550 ZPFUWBGHHUZSMD-DYVFJYSZSA-N 298.411 3.582 30 20 CHED Cc1ccnc(N[C@H]2C[C@H](c3cccc(F)c3)C2)c1C#N 435584254 NNGRROWIBQCIHI-CTYIDZIISA-N 281.334 3.759 30 20 CHED N#Cc1cnc(N[C@@H]2CSc3ccccc32)c(Cl)c1 344615747 DQIPZMNVKXDURS-GFCCVEGCSA-N 287.775 3.866 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)c1ccc(C#N)s1 529798484 DUMRBMSMCARJQX-AWEZNQCLSA-N 298.411 3.761 30 20 CHED Cc1ccc(-n2cnnc2S[C@H](C)CCC#N)c(C)c1 340666438 IIZPVUPAPMVWGY-CYBMUJFWSA-N 286.404 3.669 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@@](C)(C#N)CCc2ccccc2)C1 246774101 WTIMESQQKAMCOE-SZVBFZGTSA-N 298.430 3.844 30 20 CHED Cc1cc(CN(C)C(=O)Nc2ccc(C#N)cc2)ccc1F 435921948 ODKQSDPVPXGRHL-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C=CC[C@H](CC)NCc1cccc(OCCCC#N)c1 341439550 NZIVUPRBDKHOFP-INIZCTEOSA-N 272.392 3.813 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)NCC(C)(C)CCC#N)C1 346003432 NZKPDVIXJPADSW-UONOGXRCSA-N 264.413 3.649 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1 436381931 BKKNTBIRSMWMCR-BMFZPTHFSA-N 285.391 3.519 30 20 CHED COCc1cc(C#N)ccc1N[C@H]1CCC[C@@H](SC)C1 603290491 AOBMMZDDRNZYBK-LSDHHAIUSA-N 290.432 3.791 30 20 CHED C=C(C)COc1cccc(NC(=O)CC2(C)CC2)c1 345788828 RQUHKFSCOLYEML-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(C)c(OC)cc1Cl 529393248 BJGMOUJJOCXZPZ-UHFFFAOYSA-N 294.782 3.926 30 20 CHED N#CCCCNCC1CCC(c2ccccc2)CC1 348254594 ODMBZNSZXRMBDC-UHFFFAOYSA-N 256.393 3.854 30 20 CHED C=CCSc1ccccc1C(=O)NCc1occc1C 343600631 DQTXHOFPZPSZMM-UHFFFAOYSA-N 287.384 3.796 30 20 CHED C=CCCC[C@@H](C)N1CCC(Oc2ccccn2)CC1 340810672 PZPJLRFBLXPSFC-OAHLLOKOSA-N 274.408 3.670 30 20 CHED CC(=NOCc1cc(C)no1)c1cc2ccccc2o1 254980756 AGMIGXIZKDIHEV-UHFFFAOYSA-N 270.288 3.670 30 20 CHED C=CCCCN(C)C(=O)[C@@H](C)Sc1ccc(C)cc1 605644500 MIBMTXRZAZATKU-CQSZACIVSA-N 277.433 3.900 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)c1ccncc1 254304477 YFEDYVFRMJVHIP-UHFFFAOYSA-N 283.334 3.934 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 443060944 QGXNAWMWLHRUQN-CYBMUJFWSA-N 287.281 3.952 30 20 CHED Cc1cccc(CCNC2(c3cccc(C#N)c3)CC2)c1 449211016 UTHHWWPZHGOAFQ-UHFFFAOYSA-N 276.383 3.688 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@H]1CCCCC1(C)C 354178625 LRUHZBGTKFLLHU-ZDUSSCGKSA-N 279.428 3.584 30 20 CHED COc1cc(CN[C@H]2CSc3ccccc32)ccc1C#N 353624305 DCHTUGDEWPAOQT-HNNXBMFYSA-N 296.395 3.503 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccccc2N2C[C@H]3CC[C@H]2C3)C1 442859701 QTVASCGRRBTFDD-VGWMRTNUSA-N 281.403 3.779 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H]1CC[C@@H](C)C1 352572953 OMCLXTOPIYORAM-HUUCEWRRSA-N 275.392 3.663 30 20 CHED C=CCOc1ccc(CN2CCO[C@H](C)[C@H]2C)cc1Cl 538726139 YROVLCZATZNSOJ-CHWSQXEVSA-N 295.810 3.514 30 20 CHED C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H](C)C1 356496518 JHGZXXLMCRZZSS-NUJGCVRESA-N 298.430 3.969 30 20 CHED CS[C@@H](C)CCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 358403184 NZHVZPBYYDXJIF-GXFFZTMASA-N 296.823 3.553 30 20 CHED CSc1cc(CNc2ccc(C#N)c(Cl)c2)ccn1 357212501 ZPEIQWDYBBMHNA-UHFFFAOYSA-N 289.791 3.941 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)c1c(F)cccc1F 538626099 LVPHJUKNTZCKQY-MNOVXSKESA-N 282.334 3.680 30 20 CHED C=C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 264157894 JRRJKTDXZNJQKS-UHFFFAOYSA-N 284.384 3.602 30 20 CHED COc1ccc(COc2cccc(F)c2C#N)cc1Cl 536503040 PLKNSYCIKHCJAB-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC[C@H](CC#N)NC(=O)c1cscc1-c1ccccc1 355804905 JUXXZKOUFGWKMD-CYBMUJFWSA-N 284.384 3.837 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1nccc2occc12 618694391 BGISLTRUJOMTLW-OAHLLOKOSA-N 275.311 3.799 30 20 CHED N#Cc1cccc(CCN[C@H]2CCCc3ccccc32)c1 355663971 DWXIJYIDDZTTFH-IBGZPJMESA-N 276.383 3.768 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(OCC#N)cc1 266589687 LVAXMYFHQJIHIX-KYJSFNMBSA-N 284.403 3.742 30 20 CHED C=CCCCNC(=O)Nc1ccc(OC(C)(C)C)cc1 448002690 YPLWHIPRBZRNJV-UHFFFAOYSA-N 276.380 3.952 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCO[C@H](c2ccccc2)C1 265590765 ZPWRXOOFCZUPPU-KXBFYZLASA-N 292.382 3.693 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCCOC1 531765411 VXHUOIUBHQSDDM-LBPRGKRZSA-N 285.840 3.816 30 20 CHED C=CC[C@H]1N(c2nnc(C)n2CC2CC2)CCCC1(C)C 612563194 YYTSPWUSDQWQEA-OAHLLOKOSA-N 288.439 3.568 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2sc(CCC)nc2C)C1 617787440 OVHUVRRZKKZBPF-CYBMUJFWSA-N 292.448 3.832 30 20 CHED CCCN(CC#Cc1cccc(Cl)c1)CC(F)F 446836253 PRVHJZUEQFBKLW-UHFFFAOYSA-N 271.738 3.669 30 20 CHED CCc1ccc([C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)C)cc1 538705556 AXEWJTYUVPAERY-QGZVFWFLSA-N 295.386 3.576 30 20 CHED C=C1CCN(C(=O)c2ccc(-c3ccccc3)nc2C)CC1 264141824 HNAFRQGJKAFVPP-UHFFFAOYSA-N 292.382 3.849 30 20 CHED CC(C)(C#N)CNCc1cccc(OC2CCCC2)c1 612585535 KGHJGVXPZBIHTM-UHFFFAOYSA-N 272.392 3.647 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 534022799 IWTRUKKPGDKCEY-LLVKDONJSA-N 270.376 3.744 30 20 CHED N#Cc1ccc(CNC2(Cc3ccccc3)CCC2)s1 538413388 UREWIRPMODFPGF-UHFFFAOYSA-N 282.412 3.875 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2ccc(C)nc2)cn1 452154443 VNSJKJOGHZFEMX-GOSISDBHSA-N 295.386 3.993 30 20 CHED C=CCC1(C(=O)N[C@H]2[C@@H]3c4ccccc4C[C@H]32)CCCC1 450141464 SQCOGHWVBNQYHR-BRWVUGGUSA-N 281.399 3.577 30 20 CHED CC(C)C[C@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 611250553 KJTUPVZXTOAANY-SJORKVTESA-N 286.419 3.871 30 20 CHED C=C(CC)CN[C@H](C)c1nc2ccc(Cl)cc2n1C 453353434 JCQSCQQTIVSYPW-LLVKDONJSA-N 277.799 3.844 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1c(F)cccc1Cl 278616409 MYXHIGFUSVARIJ-HBNTYKKESA-N 266.747 3.822 30 20 CHED CC[C@@H](C#N)OC(=O)/C(C)=C/c1ccccc1Cl 166944517 LLPQXQSRUYUCLY-OANVXVOSSA-N 263.724 3.589 30 20 CHED C=CCC1(C(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)CCCC1 452148212 KOXUYVKOGCEKJX-VGWMRTNUSA-N 273.420 3.627 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OCC)c(F)c1 454534095 LNHGLAUDPVXYAQ-UHFFFAOYSA-N 280.343 3.558 30 20 CHED N#CCCCCN1CCn2c(cc3ccc(Cl)cc32)C1 278372021 SPZBZUBJALTEBJ-UHFFFAOYSA-N 287.794 3.804 30 20 CHED Cc1c(Cl)cnc(N[C@@H](CO)CCC(C)(C)C)c1C#N 360240571 GDYTWRHHAXBPDO-LLVKDONJSA-N 295.814 3.514 30 20 CHED COc1cc(C#N)ccc1CN[C@@H](c1cccs1)C1CC1 541580918 FWCYXTQNAMCWAX-QGZVFWFLSA-N 298.411 3.869 30 20 CHED C=C(C)COCCN[C@H]1CCC[C@H]1Cc1ccccc1 547362904 ZKRCUKWDVJUGTJ-ROUUACIJSA-N 273.420 3.580 30 20 CHED C=CCN(C(=O)c1ccc(Cl)c2cccnc12)C1CC1 273310761 UFHNZHXVRSJOLA-UHFFFAOYSA-N 286.762 3.679 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C2CCCCC2)nn1C 450188720 UHWHFTOLPYVGLS-UHFFFAOYSA-N 275.396 3.619 30 20 CHED CCOCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542014748 XZEOTEYVLXKWKJ-HNNXBMFYSA-N 294.398 3.912 30 20 CHED CC(C)Cn1cc(N[C@@H](C)c2ccc(OCC#N)cc2)cn1 272051838 RZSLORQJWOVZEZ-AWEZNQCLSA-N 298.390 3.615 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1cccc(CC#N)c1 455902305 GNEBMZZFDHSEFJ-CABCVRRESA-N 285.391 3.700 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)SCCCC 540530793 BPJYMHHAIJIJEP-CHWSQXEVSA-N 257.443 3.769 30 20 CHED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)oc1C 544164239 PIQNNGKDALMTON-UHFFFAOYSA-N 294.354 3.573 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1ccc(SC)cc1 547288407 GHZYQUMFBAHSEU-CQSZACIVSA-N 292.448 3.605 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn(CCC(C)C)c1CC 277330900 XMNYMXSVSZJVAP-ZDUSSCGKSA-N 292.427 3.578 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(Cl)s1 620864022 MRSUPXWBMWBMDK-UHFFFAOYSA-N 257.786 3.876 30 20 CHED N#Cc1ccc(/C=C\c2nc([C@H]3Cc4ccccc43)no2)cc1 544972971 QAEFQSOXMBVZAL-IBSYWUHOSA-N 299.333 3.800 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Oc1ccccc1Cl 467990063 ZGHXCCGPQVUWGG-WBMJQRKESA-N 295.810 3.826 30 20 CHED C=CC[C@H](CC)NCc1nc2c(s1)C[C@H](C)CC2 466402396 VRVQZKCXGRVPEV-NEPJUHHUSA-N 264.438 3.712 30 20 CHED C=Cc1ccc(CCNCc2ccc(C#N)c(OC)c2)cc1 462911201 GDGUYOQAVMGPTI-UHFFFAOYSA-N 292.382 3.542 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](OC)c1cccc(OC)c1 624031318 DALOKBXGIHKKMT-VBQJREDUSA-N 277.408 3.573 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C)s1 280788520 JDSLNYZIRLDMGZ-IPYPFGDCSA-N 265.422 3.688 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)CSc1ccc(C)cc1 466786082 JNFPBWNSTUAWGB-AWEZNQCLSA-N 292.448 3.693 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC[C@@H]2CCCO2)cc1 466400230 BHLLKWCNCHEUDN-AEFFLSMTSA-N 289.419 3.689 30 20 CHED N#CC1(CCCOc2ccc3[nH]ccc3c2)CCOCC1 281416588 RLLIPYOEGNHZBM-UHFFFAOYSA-N 284.359 3.647 30 20 CHED C[C@H]1CCC[C@H](C(=O)Nc2cc(C#N)c3ccccc3n2)C1 554775598 DRPMLMBISUZFOB-STQMWFEESA-N 293.370 3.871 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H]2CC[C@H](CC)O2)c1 464926478 LXKVKQJJCCGKAA-GOEBONIOSA-N 289.375 3.538 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2cc(C#N)ccn2)CC1 557695279 JRJLWPXACHJNPF-IBGZPJMESA-N 291.398 3.901 30 20 CHED C[C@@H](SCc1cc(C#N)ccc1F)C(=O)OC(C)(C)C 479717542 SDCVPFLCDTUETD-SNVBAGLBSA-N 295.379 3.661 30 20 CHED C[C@H](CC(C)(C)O)Nc1cc(C#N)ccc1C(F)(F)F 294862599 AHUSEGXTKLEPPW-SECBINFHSA-N 286.297 3.538 30 20 CHED C#C[C@H](CC)NC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 801055779 SBWGLBCBPBCUGN-ZJPYXAASSA-N 296.414 3.518 30 20 CHED C=CCCc1ccccc1NC(=O)Cc1ccc(F)cn1 807479323 NKSLJTUWLDDRRO-UHFFFAOYSA-N 284.334 3.521 30 20 CHED C=CCC[C@H](CCC)NCC[C@@H](O)c1ccccc1 809748006 YYRXFLLXZGCRLC-DLBZAZTESA-N 261.409 3.835 30 20 CHED C#Cc1cc(F)c(NCc2csc(CCC)n2)c(F)c1 802745515 BKZYSKUDASKBAH-UHFFFAOYSA-N 292.354 3.967 30 20 CHED CC[C@H]1CCC1=NNCc1cccc2cccnc12 807963523 WQVKKMGKRBXTMH-LBPRGKRZSA-N 253.349 3.500 30 20 CHED C=CCCc1noc([C@@H]2C[C@@]23CCc2ccccc23)n1 297199546 FWLSTMLZMPNELN-WMLDXEAASA-N 266.344 3.560 30 20 CHED COc1ccsc1/C=C/C(=O)c1coc(C(C)C)n1 806557922 MLSGQJITJHTNTF-SNAWJCMRSA-N 277.345 3.764 30 20 CHED O=C(/C=C\c1cc(F)ncc1F)c1ccc(Cl)s1 806564685 FZQRUOOCXUGYTJ-UPHRSURJSA-N 285.702 3.971 30 20 CHED N#Cc1ccncc1N1CCC(c2ccc(Cl)cc2)CC1 475727295 DMSMEVISQOFXRE-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)[C@H](OC)c1ccccc1F 293426767 ISFUFEMQOFVBQA-DOMZBBRYSA-N 293.382 3.620 30 20 CHED Cc1ccc2ncc(C#N)c(OCCCOC(C)C)c2c1 291741297 YQRCOEUCQTXNHW-UHFFFAOYSA-N 284.359 3.609 30 20 CHED COc1cc(Cl)c(N[C@@H]2CC[C@@H](C#N)C2)cc1C 808722747 FVDHGDWQOPMTSM-GHMZBOCLSA-N 264.756 3.761 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C/C=C\c1ccco1 807991342 VXKBZBJQHUIOGB-RUJLQFJVSA-N 271.276 3.607 30 20 CHED C=CCN(CC=C)Cc1nc(C(C)C)n2ccccc12 565367737 HFOHAISTMBOWLW-UHFFFAOYSA-N 269.392 3.632 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@@H]2CNC[C@H]2C1)c1ccccc1 643549229 VDTNFPNUCCIYFX-MKXGPGLRSA-N 284.447 3.672 30 20 CHED CCn1c(-c2cccc(C#N)c2)nc2ccc(C)cc21 478232471 ICAZLONUWBKIKP-UHFFFAOYSA-N 261.328 3.903 30 20 CHED C=C(C)[C@H](NC(=O)[C@H]1CC1(C)C)c1ccc(F)c(F)c1 475661597 NZSPESQBRCNJOM-RISCZKNCSA-N 279.330 3.744 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C#N)ccc1-c1ccncc1 292298215 UQRFEBQDNMPGQG-UHFFFAOYSA-N 293.370 3.935 30 20 CHED C=CCOCCN(Cc1cccc(F)c1)C1CCCC1 565729557 HSPUFTPUUOXYCZ-UHFFFAOYSA-N 277.383 3.773 30 20 CHED C=CCCC1(C(=O)NC[C@@H](C)Cc2cccs2)CC1 476100780 RRIRJRCFPWYGKC-ZDUSSCGKSA-N 277.433 3.789 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCC(CC)CC1 564474856 YGOJRKSMDLEHNX-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(C#N)c(F)c1 560470129 OAYKPIWKKAQJEQ-TZMCWYRMSA-N 288.366 3.530 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cc(F)ccc1Cl 562879259 YDZRDIHLMUHAPZ-UHFFFAOYSA-N 297.761 3.931 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1Cc1ccc(C#N)cn1 565170792 GIZGXOYUSOUMAF-SFHVURJKSA-N 295.361 3.738 30 20 CHED C[C@@H]1CCC[C@H](CNC2(c3cccc(C#N)c3)CC2)C1 563967127 XPNXGFNCYDCBMR-ZBFHGGJFSA-N 268.404 3.963 30 20 CHED C=CCCCC(=O)Nc1cc(C(=O)OCC)c(C)cc1F 560142633 VNCBNXKAINLZRV-UHFFFAOYSA-N 293.338 3.606 30 20 CHED C=C(C)CNC(=S)Nc1cc(C)n(C2CCCCC2)n1 811712483 VBRXSYCUAFEBGQ-UHFFFAOYSA-N 292.452 3.559 30 20 CHED COc1cc(C#N)ccc1OCC[C@@H]1CC1(Cl)Cl 818056909 IUFOOALEYSDYDV-SNVBAGLBSA-N 286.158 3.530 30 20 CHED C=CCn1cccc1C(=O)NC[C@@H](C)c1ccc(C)cc1 488960526 LNLJFKHRUWDKAP-OAHLLOKOSA-N 282.387 3.516 30 20 CHED CCC[C@H](C=NOCCOC(C)C)c1ccccc1 812239885 CWIISVBVOBMXNH-MRXNPFEDSA-N 263.381 3.998 30 20 CHED C=CCCCCCCCNC(=O)NCc1csc(C)n1 811862821 YYQXWVDIMZTISB-UHFFFAOYSA-N 295.452 3.777 30 20 CHED C#C[C@H](NC(=O)c1ccccc1F)c1ccc(Cl)cc1 811950818 OAXAQHQFAXDWCS-HNNXBMFYSA-N 287.721 3.583 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCc1cn2ccccc2n1 657831713 GJBUMLCTGHYPCY-DOTOQJQBSA-N 283.419 3.601 30 20 CHED CN(Cc1cc(C#N)n(C)c1)C1CCC(C(C)(C)C)CC1 483173069 MUACICSURPZKTR-UHFFFAOYSA-N 287.451 3.933 30 20 CHED C=CCCCS(=O)(=O)N(c1ccccc1C)C(C)C 489278109 KCFCPKGNLMOYQW-UHFFFAOYSA-N 281.421 3.506 30 20 CHED CC1CC(=NNc2ccc([N+](=O)[O-])cc2Br)C1 814906718 GZEIBIJIMWOIIL-UHFFFAOYSA-N 298.140 3.555 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNC[C@H]2CCSC2)C1 811662892 WRSCLLFFUDGGAH-MGPQQGTHSA-N 254.443 3.531 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CC[C@H](C)CC1 577496239 GUFKGWTVXIMKLI-YEORSEQZSA-N 284.359 3.526 30 20 CHED CCC(=NNc1ccc(F)cc1F)c1ccc(F)cn1 814686422 FNIWVQMPYWNYOS-UHFFFAOYSA-N 279.265 3.725 30 20 CHED N#Cc1ccc(N2CCC[C@@H](OCC3CC3)C2)cc1Cl 489883575 IQJHPPPAMDNYJE-OAHLLOKOSA-N 290.794 3.607 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)cc1 572165629 WQLFKTSMANXOCX-JKSUJKDBSA-N 282.387 3.862 30 20 CHED C=CCC[C@H](CC)NCc1c(F)cc(F)cc1F 815650350 PDTWWDIOLVHCHK-NSHDSACASA-N 257.299 3.938 30 20 CHED N#Cc1cccc(CNCc2ccnc(Cl)c2Cl)c1 811474157 VRPFCHTXHQPFFG-UHFFFAOYSA-N 292.169 3.550 30 20 CHED N#CC1(CSCC(=O)Nc2ccccc2Cl)CCC1 572620176 JXIIJZKIWDUANY-UHFFFAOYSA-N 294.807 3.706 30 20 CHED C=CCN(C)C(=O)Nc1ccc(-c2ccco2)cc1F 490495317 HGZSLOSOYAEAOU-UHFFFAOYSA-N 274.295 3.735 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C#N)ccc1F 828276142 GPIPCPSVDSHKEP-MLGOLLRUSA-N 288.366 3.738 30 20 CHED CC(C)N(Cc1ccc(C#N)cn1)[C@@H](C)c1ccsc1 570643312 SQXMBAWIALLFQO-ZDUSSCGKSA-N 285.416 3.986 30 20 CHED C=CCCC(C)(C)NC(=O)NCC1CCC(F)(F)CC1 664826455 SBOAHRMWOOBLHW-UHFFFAOYSA-N 288.382 3.856 30 20 CHED CC(C)(C)c1ccc(CCCCC(=O)OCC#N)cc1 727016467 YZMPKQSQIYWMPX-UHFFFAOYSA-N 273.376 3.764 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cc(C)ccc1OC 663697127 LMSMUMGDUSGGGB-UHFFFAOYSA-N 290.407 3.548 30 20 CHED C=CCC(F)(F)c1nc(-c2ncccc2OC(C)C)no1 664994127 AMWSIHMEDVUKBN-UHFFFAOYSA-N 295.289 3.587 30 20 CHED CC(=NNc1nc2cc(F)c(F)cc2[nH]1)C1CCCC1 733076925 YSWYAYDALRPKBF-UHFFFAOYSA-N 278.306 3.819 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)C1(C#N)CCCCC1 736031733 CKBURZCRJOHKTM-RDBSUJKOSA-N 263.381 3.828 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(-c2cccs2)on1 490015436 UWKZIJXVOMDQAV-UHFFFAOYSA-N 290.388 3.735 30 20 CHED C=CCN(C(=O)NCc1cc(Cl)cc(Cl)c1)C1CC1 665348798 SESQFVLPZTVYLY-UHFFFAOYSA-N 299.201 3.853 30 20 CHED N#CCCCNC(=O)Nc1ccc(-c2ccco2)cc1F 490487679 ZSXMBHNYOKJIPR-UHFFFAOYSA-N 287.294 3.511 30 20 CHED CCC(=NNc1nccnc1C(C)C)c1cccc(C#N)c1 905463726 FPRZHISMSPBTHS-UHFFFAOYSA-N 293.374 3.698 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CCCCCC#N 588327655 ACDBUMJJYZBSGK-UHFFFAOYSA-N 295.386 3.547 30 20 CHED CCCCCC[C@@H]1CCCC1=NNC(=S)N(C)C 731558521 WTDJOVGWJKBHOQ-GFCCVEGCSA-N 269.458 3.549 30 20 CHED C=CCC[C@H](NC(=O)NCCc1ccoc1)c1ccccc1 660938179 OGANCBMSOXSSFC-KRWDZBQOSA-N 298.386 3.829 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C#CC1CC1 837496076 VJNJFBVTINXWIC-LBPRGKRZSA-N 290.432 3.508 30 20 CHED C=CCOCCCC(=O)OCc1cnc2ccc(C)cc2c1 836105221 BGNOMFOTZGFXGS-UHFFFAOYSA-N 299.370 3.569 30 20 CHED CCC(COC)=NN=C(c1ccccc1)c1ccccc1 735971171 QFNMGCJVTZFPDQ-UHFFFAOYSA-N 280.371 3.936 30 20 CHED CC[C@H](OC(=O)C1(C#N)CCCCC1)c1ccncc1 839443779 FMVWHFGVCYBXPU-AWEZNQCLSA-N 272.348 3.550 30 20 CHED C=CCC1(NCC(C(C)C)C(C)C)CCOCC1 668550521 BFYODMCTEKBKIB-UHFFFAOYSA-N 253.430 3.630 30 20 CHED C#CCOc1ccccc1OC/C=C\c1ccccc1 730566916 OYILJPUBMCHWDS-FLIBITNWSA-N 264.324 3.791 30 20 CHED C=CCCNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 661572521 QFQVUMICOGFIFK-GFCCVEGCSA-N 272.348 3.711 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)c1ccc(C)o1 839892551 XMPBFQILXIHIEZ-DOTOQJQBSA-N 297.398 3.995 30 20 CHED CC1CCC(=CC(=O)N(C)c2ccc(C#N)cc2F)CC1 734102207 PTIGOOWSYOHABH-UHFFFAOYSA-N 286.350 3.797 30 20 CHED C=C(CNc1ccc([N+](=O)[O-])cc1)c1ccccc1 588840794 JVOXKYLGNPLLRU-UHFFFAOYSA-N 254.289 3.720 30 20 CHED CCC(=NNc1cc(C(F)(F)F)ccn1)C(C)C 834983333 NSGXQWFIWPGXPH-UHFFFAOYSA-N 259.275 3.934 30 20 CHED C#CCCCCC(=O)Oc1cc2ccccc2cc1C(=O)O 833362631 BJLGZWNYAJYZKV-UHFFFAOYSA-N 296.322 3.637 30 20 CHED Fc1cc(F)cc(NN=C2CCc3cc(F)ccc32)c1 734296064 NCTHYEAOJSNUGD-UHFFFAOYSA-N 276.261 3.866 30 20 CHED COc1ccc(-c2ccc(C(=O)O[C@H](C)C#N)c(F)c2)cc1 730351869 WGCWTWXUAKBVLR-LLVKDONJSA-N 299.301 3.570 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 839764641 DQJUSQVLOMCZRI-ZWKOTPCHSA-N 296.414 3.914 30 20 CHED CC(C)(Cc1ccccc1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839054830 ORWKKRPEXZQRQK-HZPDHXFCSA-N 285.387 3.881 30 20 CHED CC(C)(C)c1n[nH]cc1C=NNc1cc(F)c(F)cc1F 734302823 QISNHKIRUAJKDF-UHFFFAOYSA-N 296.296 3.571 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(Cl)cc(Cl)n2)C1 839449756 OTSOSFLEUNWJRC-WCBMZHEXSA-N 299.157 3.628 30 20 CHED CCC1(CC)[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C[C@H]1OC 583901732 PYLOKNGEMIIVFJ-KZNAEPCWSA-N 298.430 3.729 30 20 CHED CC(=NNC(=S)Nc1cccc(C)c1C)C(C)C 915912031 NTVIDHBTEFKTHY-UHFFFAOYSA-N 263.410 3.622 30 20 CHED N#C[C@H]1CC[C@H](Sc2nc3ccc(F)cc3o2)C1 919853956 QRNFZQXCWNWXHV-WPRPVWTQSA-N 262.309 3.751 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCc2ccc(F)cc21 730147211 NBQMZVNMGVOWDE-YQYFLZKSSA-N 255.292 3.638 30 20 CHED Cc1c(C(=O)/C=C\c2ccccc2)c(C#N)c2n1CCC2 730085404 QCLQAUWZGLKSMM-KTKRTIGZSA-N 276.339 3.511 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)C1CCC1)c1ccccc1 677587623 CFRJVOLOBZRXSI-UONOGXRCSA-N 257.377 3.651 30 20 CHED CCc1c(C(=O)OCCCCC#N)oc2ccccc12 835159806 LQPNWTDBJCFARL-UHFFFAOYSA-N 271.316 3.846 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 599527312 KJELLYAOMWSGLN-RMRDIRSESA-N 296.414 3.687 30 20 CHED N#Cc1cc(C(=O)OCC2CCC(F)(F)CC2)ccc1F 837711923 SUPZBSXELXBGCJ-UHFFFAOYSA-N 297.276 3.680 30 20 CHED CC[C@H](/N=C\c1cc2ccccc2nc1O)C1CCOCC1 746391821 BHGCEDBVOGQTKN-JJBLJPBOSA-N 298.386 3.565 30 20 CHED Cc1cc(CS[C@H](C)c2cccc(C#N)c2)nc(C)n1 596356291 KXIXEAOGNQXFHI-GFCCVEGCSA-N 283.400 3.960 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1ccnn1CC1CC1)C2=O 849250479 UPJOXZKJIXRMLS-NWRYFCBHSA-N 292.382 3.985 30 20 CHED N#CCC1(CSCCc2ccc(C#N)cc2)CC1 596386109 XTMDPOKPWHPDFA-UHFFFAOYSA-N 256.374 3.528 30 20 CHED C=CC[C@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)C1 844600704 OCZNTYKFTDTTIG-JTQLQIEISA-N 276.311 3.668 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C#N)CCc1ccccc1 598444186 KANDJFFWBGOUCL-QDZFIJTISA-N 296.414 3.548 30 20 CHED C=CCN(C(=O)CCc1ccc(Cl)cc1)C(C)C 915153304 IXNPNWAGXFHBRV-UHFFFAOYSA-N 265.784 3.696 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1C[C@]1(C)c1ccccc1 741465758 XYIFKFMIIFHANF-HFNXDKSESA-N 281.355 3.550 30 20 CHED Cc1ncc(C=NNCc2ccc(C(F)(F)F)cc2)s1 917545171 PJCYZVQZBGUNEC-UHFFFAOYSA-N 299.321 3.594 30 20 CHED CCCCC[C@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 846764822 IVWMXAGWVAUZNI-CABCVRRESA-N 286.419 3.822 30 20 CHED C=CCNC(=O)Nc1cccc(COc2ccccc2)c1 918053521 CJGYAXQCLMLUEI-UHFFFAOYSA-N 282.343 3.573 30 20 CHED N#CCCCCOC(=O)C1(c2ccccc2Cl)CCC1 845308559 RXUDFFLKWYFSFW-UHFFFAOYSA-N 291.778 3.999 30 20 CHED CC1(C)CCCC1=NN=c1cc[nH]c2ccccc12 749859479 QRYRIECTNNFHBL-UHFFFAOYSA-N 253.349 3.635 30 20 CHED COc1ccc(C=NNc2cc(C)cc(C)c2)c(OC)c1 916346507 FSUAXNXRGNZTSQ-UHFFFAOYSA-N 284.359 3.767 30 20 CHED C/C(=C/C(=O)O[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 748396947 YQHHTDMYKPWMRZ-UJICNMFASA-N 283.249 3.564 30 20 CHED CCCCCCCCCNC(=O)c1cc[nH]c1C 749893389 JHTYTWGBQXVXDK-UHFFFAOYSA-N 250.386 3.804 30 20 CHED CCC(=NNc1ncccc1C(F)(F)F)[C@@H]1C[C@H]1C 841617585 IYPLGIPHWWHVGW-RKDXNWHRSA-N 271.286 3.934 30 20 CHED CC[C@@H](C)C(C)=NNC(=S)Nc1ccccc1F 915920310 DINQJPALQUWMHD-SECBINFHSA-N 267.373 3.534 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)CCc2c(O)cccc21 742435181 QWQKVAWUDCVNLI-MDZDMXLPSA-N 286.277 3.883 30 20 CHED C=C(C)CONC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 846534674 XGFAYWYABXJWPZ-SNVBAGLBSA-N 287.281 3.590 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)/C=C\c1ccccc1C#N 742801105 CJWLNXVYCYZMMC-LMVHURLUSA-N 296.414 3.999 30 20 CHED CC(C)(C)c1ccc(-c2ccc(C=Nn3cnnc3)o2)cc1 743419446 VYKUPXZPKLGUFK-UHFFFAOYSA-N 294.358 3.718 30 20 CHED CC[C@@H](OCCSCCO[C@H](C)C#N)c1ccccc1 844643893 CLALCPTVLZIBCZ-GDBMZVCRSA-N 293.432 3.816 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@H](C)CC(F)(F)F)c1 840712606 JWFFQVMEJOPOGY-SVXRXWARSA-N 289.297 3.798 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/CSc2ccccc2C1=O 849242572 IFBLBJVFOUSWLZ-WQLSENKSSA-N 296.395 3.670 30 20 CHED Cc1cc(C#N)ccc1NCc1cccc2c1OCCCO2 846748736 ZMLQLLZIIMUBCN-UHFFFAOYSA-N 294.354 3.640 30 20 CHED CCCNC(=O)c1cccc(N[C@H](C)CC(C)(C)C#N)c1 926039484 FMYDOTRJICWDPD-CYBMUJFWSA-N 287.407 3.567 30 20 CHED Clc1cccnc1NN=Cc1csc(C2CC2)n1 920374807 LRDMNHCJNLJORI-UHFFFAOYSA-N 278.768 3.515 30 20 CHED CCC/C(C)=C/C(=O)[C@@H](C#N)c1nc2ccccc2o1 920324151 LSCIHJNUIGDTPJ-LMMOQWNQSA-N 268.316 3.750 30 20 CHED CC(C)CN(CCCCCCO)c1ccc(C#N)cc1 750794975 LWIQZBIEDOVDOV-UHFFFAOYSA-N 274.408 3.573 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1cccc(NC(=O)c2ccco2)c1 755990657 ZPHZJBLRGDYWNZ-GFCCVEGCSA-N 299.326 3.653 30 20 CHED CC(C)c1cccc(C=NOCc2cccnc2)c1 853322729 AIBCHMWICYUUPS-UHFFFAOYSA-N 254.333 3.756 30 20 CHED CC1(C)C[C@@H]1C(=O)N1CCCSC1=Nc1ccccc1 752723725 MXKNDJXYDHTBRJ-CYBMUJFWSA-N 288.416 3.686 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1C 759081143 BWZINFXZDGKYAP-ZZXKWVIFSA-N 287.746 3.948 30 20 CHED C[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 751998350 WIMRNHGXCGFHMY-GFCCVEGCSA-N 283.302 3.544 30 20 CHED C#CC[C@@H](NC(=O)C=C1CCCCC1)c1ccccc1 757600399 QDHJPZINACCDQP-QGZVFWFLSA-N 267.372 3.758 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccc(O)c(C)c2)c1C 759653973 YEMNJGABSFVPKD-VQHVLOKHSA-N 298.386 3.820 30 20 CHED C/C(=C\C(=O)N[C@@H](C#N)C1CCCCC1)c1cccs1 857602508 PVODOAOKXCIHTL-WONIAPNHSA-N 288.416 3.740 30 20 CHED CCCn1nccc1/C=C1\CCc2ccc(F)cc2C1=O 853007640 YALASLBEWWLVDJ-JLHYYAGUSA-N 284.334 3.645 30 20 CHED CC(=NNc1ccc(F)cc1C)c1csc(C)n1 750938950 RGJIIEKTUHXQFQ-UHFFFAOYSA-N 263.341 3.735 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1ccc2c(c1)CCC2 759010059 IHZRIFQUOSRXOW-UHFFFAOYSA-N 298.382 3.670 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@@H]1CC[C@@H](C)C1 759219739 SFXRAMQHGSXMMW-CHWSQXEVSA-N 289.350 3.603 30 20 CHED COCC(CC(C)(C)C)=NNc1ccc([N+](=O)[O-])cc1F 853396329 FWMRSQGVYKRCGE-UHFFFAOYSA-N 297.330 3.584 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccccc2C)n1 850737049 PQWIKJZRBSYIKM-ZNMIVQPWSA-N 296.395 3.740 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H](c1cccnc1)C(C)C 751291601 NDQQMRJZQNAWIZ-GEYIUBJWSA-N 298.386 3.655 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)Cc1ccc(F)cc1 856373959 GWEDEQMHWBVBCQ-CYBMUJFWSA-N 277.383 3.865 30 20 CHED CC(C)(C)[C@H]1C[C@@H](NCc2ccc(C#N)cc2)CS1 754127342 KKNLLKQGCWPFKJ-HUUCEWRRSA-N 274.433 3.568 30 20 CHED C=C(C)CNC(=S)N1CCC(CCC(C)C)CC1 759666197 HJQDDIYTNUOIAK-UHFFFAOYSA-N 268.470 3.585 30 20 CHED C#CCC1(C(=O)N2CCC(F)(F)C[C@H]2C)CCCCC1 863011973 SDOCWLYUMYIWOJ-CYBMUJFWSA-N 283.362 3.606 30 20 CHED CC#CC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C(C)C 764098970 PUJCMDUREYTZFW-GOSISDBHSA-N 271.404 3.722 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(Cl)cc1Cl 1116643961 WPTFWBUXEKARCO-MWLCHTKSSA-N 274.191 3.845 30 20 CHED C#C[C@@H](OC(=O)[C@@H](C)C(C)(F)F)c1ccc(C)cc1 860963194 QYVZGQOEEMLJRL-DGCLKSJQSA-N 266.287 3.504 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H](F)c2ccccc2)cc1 769304807 ZFHUGKIPWBQTIE-INIZCTEOSA-N 286.302 3.868 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(F)c(Cl)c2)cc1 768164883 FYQZAGXHDYHDLY-UHFFFAOYSA-N 275.666 3.570 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CSc2ccccc21 933110335 LGRKCVKEAAEIMZ-DGCLKSJQSA-N 261.390 3.552 30 20 CHED C#CCOc1cccc(-c2noc([C@@H](C)CCC)n2)c1 761778056 DJDIDPRLZCFQCX-LBPRGKRZSA-N 270.332 3.652 30 20 CHED Cc1cccc(C)c1CNc1ccc(F)cc1OCC#N 760463783 DRFJNVKTJGNLOE-UHFFFAOYSA-N 284.334 3.957 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CCC(=O)[C@H](C)C1 761453784 ACYVXVAAGJNQRN-ZIAGYGMSSA-N 268.397 3.895 30 20 CHED Fc1cccc(C=NNCc2ccc(Cl)cc2)c1F 764715525 LQJCTPNXMJQOHJ-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C#C[C@@H](OC(=O)c1ccc(Oc2ccccc2)o1)C1CC1 767528004 YWPFREBICPGXSG-CQSZACIVSA-N 282.295 3.641 30 20 CHED Cc1cc(OC(=O)[C@H]2C[C@H]2c2sccc2C)ccc1C#N 765114195 UBZHBXJOOKEPAA-CABCVRRESA-N 297.379 3.946 30 20 CHED Cc1cccc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 768253024 VLAIJHUFURMKSQ-INIZCTEOSA-N 294.398 3.918 30 20 CHED C#CCCCCCCN[C@H]1CCN(C(C)=O)c2ccccc21 877120391 JNIUUPYMIXGPOD-SFHVURJKSA-N 298.430 3.658 30 20 CHED C#CCCCNc1ccc(C)cc1OCC(F)(F)F 766725585 PSLHLFDDJWESGW-UHFFFAOYSA-N 271.282 3.761 30 20 CHED Cc1ccccc1C(C)(C)C(=O)OCc1ccc(C#N)s1 1118397652 FLFRCPZLPSRJJG-UHFFFAOYSA-N 299.395 3.949 30 20 CHED C=CC(C)(C)CNC(=O)CCCSC(C)(C)C 1117846378 LDXKYUGOWURCNX-UHFFFAOYSA-N 257.443 3.627 30 20 CHED C[C@@H](CCC#N)CNc1ccc([C@H](O)C(F)(F)F)cc1 877667617 QBKVDCIUGUOZON-GWCFXTLKSA-N 286.297 3.634 30 20 CHED C=CCN(CCc1ccco1)C(=O)NCCCCCC 779328729 ILFNEQNEHUJLKW-UHFFFAOYSA-N 278.396 3.600 30 20 CHED C[C@H](C(=O)OCC1(CC#N)CC1)c1cn(C)c2ccccc12 774121084 UBNWXGSXBITDGV-ZDUSSCGKSA-N 296.370 3.519 30 20 CHED CCCCCCCNC1CCN(Cc2ccncc2)CC1 776747015 LIFUBUOKEFMAOA-UHFFFAOYSA-N 289.467 3.606 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](OC)c1ccccc1F 879390576 ZZEQUEMYGIXACQ-MLGOLLRUSA-N 293.382 3.620 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1cc(C#N)cs1 776784643 MMKQXQJVTLWMQF-UHFFFAOYSA-N 292.367 3.922 30 20 CHED CC(=NNCCOC(C)C)c1ccc(C(C)C)cc1 778547036 CJVMRLHIHBJQBQ-UHFFFAOYSA-N 262.397 3.549 30 20 CHED COC(=O)c1coc(/C=C2\C(=O)c3cccc(C)c3[C@@H]2C)c1 774134690 MTVHJBPUTABXLZ-SHLUWWQESA-N 296.322 3.758 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1nccc2ccccc12 773163618 XRQFTRMJUKTZQV-MHWRWJLKSA-N 297.317 3.599 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 878897437 LNLPHSNESPKHPG-UHFFFAOYSA-N 298.308 3.715 30 20 CHED c1ccc([C@@H]2CCCCC2=NN=c2cc[nH]cc2)cc1 779808046 BOXRRGDBNCKREQ-INIZCTEOSA-N 265.360 3.629 30 20 CHED C#CCCCCCC(=O)Nc1ccc2nc(OC)ccc2c1 779902214 CTVDKBJYCZTNHW-UHFFFAOYSA-N 296.370 3.766 30 20 CHED C=CC[C@H](OC(=O)c1n[nH]c2c1CCCC2)c1ccccc1 778739912 UHLXITNKDRIHFX-INIZCTEOSA-N 296.370 3.763 30 20 CHED C#CCCCCCC(=O)Nc1cccc(OCCC)c1 779840416 UZYLONWMGVOZJU-UHFFFAOYSA-N 273.376 3.998 30 20 CHED C[C@H](OC(=O)C(C)(C)c1cccnc1)c1ccc(C#N)cc1 770523361 BKLZUHZXBSJFPA-ZDUSSCGKSA-N 294.354 3.535 30 20 CHED Cc1oc(C(C)C)cc1C(=O)O[C@@H]1CC[C@H](C#N)C1 1122646515 FDVIEJLTNQJJFY-NWDGAFQWSA-N 261.321 3.561 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)cc1 1124406263 LRIMKSQVWVLREG-GXTWGEPZSA-N 256.349 3.569 30 20 CHED Cc1ccc(C)c(COC(=O)Cc2ccccc2CC#N)c1 777158971 QAINVSNFJHMCAU-UHFFFAOYSA-N 293.366 3.655 30 20 CHED C=CCN(C)C(=S)Nc1c(CC)cccc1CC 777471189 LFKYOEHNHOFINA-UHFFFAOYSA-N 262.422 3.626 30 20 CHED C(=NOC1CCCCC1)c1csc(-c2ccccn2)n1 777456656 DXGNOEVFOQTCLS-UHFFFAOYSA-N 287.388 3.888 30 20 CHED C=C(C)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 779069563 UUNLCGDEJDCPIL-UHFFFAOYSA-N 286.350 3.539 30 20 CHED Cc1ccc(/C=C2\CC(=O)Nc3ccccc3C2=O)cc1C 774143105 BLAYWICKCXCOTB-XNTDXEJSSA-N 291.350 3.912 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1cc(C)oc1C 789062300 OLALJEJBFHFRDL-UHFFFAOYSA-N 295.342 3.574 30 20 CHED C#CCCCCCc1nc(-c2cccc3nc(C)[nH]c23)no1 789843104 IQCTYNXIVJOMEG-UHFFFAOYSA-N 294.358 3.657 30 20 CHED C#CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782524194 QENRUDRSQJSUAK-CQSZACIVSA-N 260.340 3.509 30 20 CHED CCc1cnc(CNc2ccccc2O[C@H](C)C#N)s1 784609123 ACZJJXTXVBHDEA-LLVKDONJSA-N 287.388 3.608 30 20 CHED CC(C)c1cnc(CNCc2cc(C#N)ccc2F)s1 784569581 DRDSJBHONLTOQU-UHFFFAOYSA-N 289.379 3.567 30 20 CHED CCCC(=NOCC(F)(F)F)c1ccsc1 785457009 BMNNYRUYBCWRSZ-UHFFFAOYSA-N 251.273 3.831 30 20 CHED N#CCOC(=O)c1cccc(F)c1Sc1ccccc1 781325808 VRTCHZSZKMWGQA-UHFFFAOYSA-N 287.315 3.657 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1cccc(C)n1 783871133 COKJRDXNZADFFH-UHFFFAOYSA-N 296.370 3.540 30 20 CHED C=C1CCC(C(=O)OCc2cc(-c3ccco3)on2)CC1 885653788 WLBJVUPAEIULED-UHFFFAOYSA-N 287.315 3.724 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1csc(Cl)c1 787161534 BMWYPQWVRMISJF-NSHDSACASA-N 286.828 3.673 30 20 CHED CC(C)C[C@H](CNc1cc(Cl)ccc1C#N)N(C)C 303816202 WIFLGKQODKUXRL-CQSZACIVSA-N 279.815 3.600 30 20 CHED C=C1CCC(C(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)CC1 898792084 YELXXNUASAAOOH-DLBZAZTESA-N 291.435 3.541 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cc(C)cc(OC)c2)no1 897057354 ZPVLZTRVTMDDAP-LBPRGKRZSA-N 288.347 3.707 30 20 CHED C#CCCCCCC(=O)O[C@H](C)c1ccc(Cl)cn1 781703684 DVGFTDNLUDTSSF-GFCCVEGCSA-N 279.767 3.923 30 20 CHED CCc1ccccc1NC(=S)N1CCC[C@@](C)(C#N)C1 783772977 JBLNYUUYGLQDCK-INIZCTEOSA-N 287.432 3.571 30 20 CHED Cc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)cnc1F 895019118 ZRYRHYLGKQDHRE-CYBMUJFWSA-N 283.350 3.594 30 20 CHED CCCC(=NNc1cc(C)nc(C)n1)c1ccsc1 785453709 SSEFJEOAUXCXRH-UHFFFAOYSA-N 274.393 3.771 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CC1CCC(OC)CC1 787946072 ZOSXAIUVCNCNLN-UHFFFAOYSA-N 294.439 3.513 30 20 CHED CC(C)C(C=NNc1nncc2ccccc12)C(C)C 788954464 KEOHIJUAKCOKTH-UHFFFAOYSA-N 270.380 3.956 30 20 CHED C=CC[C@H](CC)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 393763930 OMDCIVBZNASUNA-GJZGRUSLSA-N 296.455 3.720 30 20 CHED CCCCCCC(=O)N[C@H]1CCc2cc(C#N)ccc21 786383040 HOANBHXRQBFXNB-INIZCTEOSA-N 270.376 3.632 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2F)c(C)s1 1132470782 VHHKFGNZBWWREA-UHFFFAOYSA-N 292.310 3.767 30 20 CHED CCSc1ccccc1CCNC[C@H](C)CCC#N 896830605 BFTSJZBBSBZECZ-CQSZACIVSA-N 276.449 3.871 30 20 CHED Cc1ccc(-c2cccc(C=NN[C@H]3CCCOC3)c2)cc1 780263228 WZWJWGJQYYBQKU-IBGZPJMESA-N 294.398 3.765 30 20 CHED CSc1cccc(COC(=O)Cc2ccc(C#N)cc2)c1 797029276 CFPUMNWGKNVTBA-UHFFFAOYSA-N 297.379 3.566 30 20 CHED Cc1cc(F)ccc1NN=C[C@@]1(C)CCCS1 793035688 ZJCCQBYRXBYDCN-CYBMUJFWSA-N 252.358 3.818 30 20 CHED COc1ccc2[nH]cc(C=NN[C@@H](C)C(C)(C)C)c2c1 793118049 ZUGNJWKEEKBAQP-NSHDSACASA-N 273.380 3.535 30 20 CHED C=C[C@@H]1CCCCN1C[C@H]1CCOc2ccccc21 683843615 IJQRYUKGMWXPSB-HUUCEWRRSA-N 257.377 3.593 30 20 CHED N#Cc1csc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 246125414 DOXUYYOQRPETEP-AKSVOJBYSA-N 272.417 3.534 30 20 CHED CCCCCCCCN(CC)Cc1cnn(C)c1 740875473 CEONKPOPRVYEQG-UHFFFAOYSA-N 251.418 3.603 30 20 CHED C#CCC(C)(C)C(=O)N1CCCC2(CCCCC2)CC1 188591720 DTUCXKLXGHMXFT-UHFFFAOYSA-N 275.436 3.999 30 20 CHED Oc1ccc(C=NNc2cccc(Cl)n2)cc1Cl 793174154 IZCYMZQTGXVHGJ-UHFFFAOYSA-N 282.130 3.540 30 20 CHED C[C@@H](C=NNc1cccc(Cl)n1)c1ccccc1 793181082 IVADUTAMRXATAF-NSHDSACASA-N 259.740 3.936 30 20 CHED COCC[C@@H]1CCCC1=NNc1cccc([N+](=O)[O-])c1C 799879304 XQWPPSKSQCPFLM-LBPRGKRZSA-N 291.351 3.508 30 20 CHED CC(C)[C@@H](C=NNc1ncncc1Cl)c1ccccc1 794537486 WNZGDSLBAKMTTN-CYBMUJFWSA-N 288.782 3.968 30 20 CHED N#Cc1ccc2c(c1)CCCC2=NNc1cccc(Cl)n1 793181093 JTEQDXANLIISGU-UHFFFAOYSA-N 296.761 3.759 30 20 CHED N#Cc1ccccc1COc1cccc2ncccc12 192815794 PWVCKKRNEFPTNU-UHFFFAOYSA-N 260.296 3.685 30 20 CHED C#C[C@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(C)C 799047282 SXESXCGNOJPIEQ-RISCZKNCSA-N 297.320 3.583 30 20 CHED CC1(CNN=Cc2cnc(-c3ccco3)s2)CCCC1 793089755 LUVWOCXPHDGVQE-UHFFFAOYSA-N 289.404 3.907 30 20 CHED C[C@H](OC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 790139444 LDAOWTQQIVRNPB-NSHDSACASA-N 269.275 3.615 30 20 CHED CC[C@@H](NCc1ccc(C#N)cn1)c1cccc(C)c1 796950218 SZWKMRZVCRLANL-QGZVFWFLSA-N 265.360 3.503 30 20 CHED C#CCCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 796142389 OLNVCWBINAFDMO-AWEZNQCLSA-N 281.321 3.908 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCC(F)(F)C2)cc1 797715976 XFORAFBVGOVLDY-CYBMUJFWSA-N 292.329 3.677 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1c1ccccc1C 791059592 SBOSOOKBTOAJLO-DOTOQJQBSA-N 284.403 3.643 30 20 CHED CC(C)(C)CC(=NNCCC(F)(F)F)C1CC1 794547154 FBRAGJQQBOLYCZ-UHFFFAOYSA-N 250.308 3.731 30 20 CHED COc1ccc(CN(C)C2CCC(C)CC2)cc1C#N 87833235 DSPPVUUIKCNVTQ-UHFFFAOYSA-N 272.392 3.577 30 20 CHED CC(=O)Nc1ccc(C)c(NCC(C)(C)CCC#N)c1 92119034 PZRHJLDHCBWDNS-UHFFFAOYSA-N 273.380 3.695 30 20 CHED CC1(C)[C@H](C(F)(F)F)CCN1CC(F)(F)C(F)F 787326770 JXIXOSZYGWOCMY-ZCFIWIBFSA-N 281.215 3.550 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cc(F)ccc1Cl 1319656293 ZNHKMOULJURMEC-UHFFFAOYSA-N 287.721 3.859 30 20 CHED C=CCn1c(C)nnc1S[C@@H]1CCc2c(F)cccc21 1318969720 SZWOUCUYALCDID-CQSZACIVSA-N 289.379 3.691 30 20 CHED C[C@@H]1CCN(c2cccc(CC#N)n2)CC12CCCCC2 1320363702 IEKXAIOLDWDINX-OAHLLOKOSA-N 283.419 3.944 30 20 CHED CC(Cc1ccccc1Cl)=NNCCC(F)(F)F 1321234907 BZDIJGGDHWMBFV-UHFFFAOYSA-N 278.705 3.800 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(OCC#N)cc1 1328536365 ALKGJJBHYSNQMB-SWLSCSKDSA-N 286.375 3.600 30 20 CHED Cc1ccc(CCCC(=O)N[C@H](C#N)C2CCCC2)s1 1338216089 NGJLEHSEZNBBNX-OAHLLOKOSA-N 290.432 3.578 30 20 CHED CCCn1c(C=NOC(C)(C)C)nc2ccccc21 1336226793 CSQJHYUUMDQUSZ-UHFFFAOYSA-N 259.353 3.595 30 20 CHED COc1cc(C)cc(OC)c1OCc1ccc(C#N)s1 1331967957 VZUAROJXTHBPJF-UHFFFAOYSA-N 289.356 3.524 30 20 CHED COc1cc(C=NNc2cccc(C)c2)ccc1F 1253611407 FBTXOKOESUTZPS-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 1336480220 ACLUHZHBPMOOIS-MRXNPFEDSA-N 271.404 3.976 30 20 CHED N#Cc1ccc(-c2nnc(-c3cccc4ncccc34)o2)cc1 1257827582 UGJSCIADTXJDTD-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2-c2nnc(C)o2)CC1 1334067991 QNFKNCDUBXCKKO-UHFFFAOYSA-N 297.358 3.730 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 1339065268 GAQNYTXFUNWSIA-YESZJQIVSA-N 284.403 3.558 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCCC[C@H]1O 103531986 UDPNRBKLMQWDAA-HUUCEWRRSA-N 269.429 3.547 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(SC(C)C)cc1 1340894390 RCCNTKRSJMBQKQ-CQSZACIVSA-N 290.432 3.951 30 20 CHED C=C[C@H](CC(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1344003447 GVRMOGLSTVGNJP-UKRRQHHQSA-N 294.329 3.757 30 20 CHED C=CCn1cnnc1SCCCC1CCCC1 1340208400 BNOKAZYYYPDNLK-UHFFFAOYSA-N 251.399 3.527 30 20 CHED CC(C)C[C@H](C)OCCC(=O)O[C@H](CC#N)c1ccco1 1344935333 DWVNLIMLGYNQKF-DZGCQCFKSA-N 293.363 3.619 30 20 CHED N#CCc1cccc(NCCC[C@H]2CC2(Cl)Cl)n1 1349554888 UTXQFDPPBXJCGS-JTQLQIEISA-N 284.190 3.534 30 20 CHED CC(C)CC1(C(=O)Nc2cc(C#N)c(F)cc2F)CCC1 1438609674 GLIGSPXDISFGKN-UHFFFAOYSA-N 292.329 3.991 30 20 CHED CC(C)[C@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 221385541 SGFISBHMSXALGR-IRXDYDNUSA-N 256.393 3.863 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C(C)(C)C#N 1517460297 PBTBIRGSABVCIL-JIMOISOXSA-N 293.313 3.550 30 20 CHED N#Cc1c(F)cccc1NCCc1cc(F)cc(F)c1 111145079 SNDYBQHDUPRFRF-UHFFFAOYSA-N 276.261 3.630 30 20 CHED C[C@@H](C#N)C(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 1294473542 HXZWHIOZQKHSMZ-GUYCJALGSA-N 296.345 3.533 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCC1 1532867581 GWOQVIMYZQMRIR-VIFPVBQESA-N 296.292 3.952 30 20 CHED Cc1ccc(C(=O)NC2(C3CCCCC3)CC2)cc1C#N 1539826608 KWGPZBFTMQMTPH-UHFFFAOYSA-N 282.387 3.709 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1ccc(C(=O)O)[nH]1)C2=O 1600391623 MIKLYMJYCAROBD-XFXZXTDPSA-N 295.338 3.542 30 20 CHED Cc1ccc(C)c([C@@H](C)OC(=O)CC(C)(C)C#N)c1 1537747893 XLACKAOOBGHCET-CYBMUJFWSA-N 259.349 3.848 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCc1cccnc1 1472642186 QNWOOINNCIFNCE-UHFFFAOYSA-N 294.745 3.767 30 20 CHED Cc1cccn2cc(C(=O)Nc3cc(F)cc(C#N)c3)cc12 1632105460 BIRPKTCIQPWDPN-UHFFFAOYSA-N 293.301 3.511 30 20 CHED Cc1cc2c(Nc3cccc(CC#N)c3)ncnc2s1 1639924788 WFBVMQRIHIGWPX-UHFFFAOYSA-N 280.356 3.809 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 1633496510 DIUXMWHNOJZNPH-QJPTWQEYSA-N 290.329 3.554 30 20 CHED CC1(C)CCC(CNC(=O)Nc2ccc(C#N)cc2)CC1 1562052582 VZTQXLSNNUQBKD-UHFFFAOYSA-N 285.391 3.896 30 20 CHED N#Cc1cc(CN2CC[C@H]2c2ccc(F)cc2)ccc1F 1659356599 LRPVBXRHWWNDEW-KRWDZBQOSA-N 284.309 3.783 30 20 CHED C[C@@H]1CCCC[C@H]1[C@@H](C)NCCc1ccc(C#N)cc1 1658537989 QVEADKSGAMJSFV-IIDMSEBBSA-N 270.420 3.905 30 20 CHED CC[C@@H]1CCC[C@H](C)N1CCOc1ccccc1C#N 1654307651 RYUQLYVANAELMI-GOEBONIOSA-N 272.392 3.590 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)sc1Cl 1650700896 AFWGSKTWVWYSIW-ORMBPQIASA-N 293.823 3.905 30 20 CHED C[C@@H]1C[C@H](N[C@@H](C)CC#N)C[C@H](c2ccccc2)C1 1657903468 OFJJIBMSXJCQTM-DIECFANBSA-N 256.393 3.851 30 20 CHED N#Cc1c(F)cccc1CNC1(Cc2ccccc2)CC1 1659498022 QHOLMZBUAAPRLG-UHFFFAOYSA-N 280.346 3.562 30 20 CHED C[C@@]1(CNc2ccc(C#N)cn2)CCCc2ccccc21 1655340397 CLSPHSFRARIRGJ-SFHVURJKSA-N 277.371 3.659 30 20 CHED Cc1cc(F)c(C(=O)Nc2ccc(C#N)c(F)c2)c(F)c1 1584263415 AODITXGKUZXKNO-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC(C)(CNc1n[nH]c(C2CC2)c1C#N)c1ccccc1 1657504340 OCELUUPVJAZGFD-UHFFFAOYSA-N 280.375 3.548 30 20 CHED C[C@@H](C#N)N(C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 1586857086 NOGSKAWWNXRBEZ-RDBSUJKOSA-N 276.424 3.742 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2c(C)cccc2F)c1 1670905896 VJDOWHZUROGLFB-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CCC(F)(F)C(C)(C)C=NNc1ccc(C(=O)O)cc1 1776012250 LEIOEJYGCLYFSI-UHFFFAOYSA-N 284.306 3.854 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)cc2)cc1 1776114537 RWPVRGWLJUDTJW-JMVBYTIWSA-N 292.334 3.989 30 20 CHED CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C#N)cc1 13994563 KJUKJUFISJFVSM-INIZCTEOSA-N 294.354 3.663 30 20 CHED CCOc1cccc(/C=C\C(=O)c2cccc(OC)c2)c1 206946234 GZBYELOSAZRGAL-KHPPLWFESA-N 282.339 3.990 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3cccc(F)c3)n2c1 151375294 SGBPDCRXEXTXIO-VOTSOKGWSA-N 280.302 3.678 30 20 CHED C=CCCSCCC(=O)Nc1cc(Cl)ccc1OC 151991932 ORQGSOJSHJNQGA-UHFFFAOYSA-N 299.823 3.987 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(O)c(C)c1 157061015 GFYNZWVXZFLFRQ-UHFFFAOYSA-N 283.327 3.518 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccc(C)cc2)cc1 154525197 AFIDWOXPUCLRJM-MRXNPFEDSA-N 279.383 3.858 30 20 CHED CCOc1ccc(OCc2cccc(C#N)c2)cc1 19804827 ZKGCSCCHOIHWOH-UHFFFAOYSA-N 253.301 3.536 30 20 CHED CCOc1ccc(Nc2nccc(C#N)c2Cl)cc1F 233793876 DDFSBVVKGMEZGI-UHFFFAOYSA-N 291.713 3.888 30 20 CHED COc1cccc(Cl)c1CNc1snc(C)c1C#N 234966285 KBSKBFKKCZDEHN-UHFFFAOYSA-N 293.779 3.597 30 20 CHED C=CCCCCN1CCC[C@H]1C[C@H](O)c1ccco1 828041023 OHDXRRDCUVPRKD-GJZGRUSLSA-N 263.381 3.524 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2C2CCCC2)c1Cl 236028502 CXNXFDFWEHWQEA-CYBMUJFWSA-N 275.783 3.766 30 20 CHED N#Cc1ccc(Cl)cc1NCc1cccc([N+](=O)[O-])c1 36954169 BAKKTNKSDDSXJO-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C[C@@H](NCCc1ccc(F)cc1)c1cccc(C#N)c1 37196029 MAWHRFDZYYGHGX-CYBMUJFWSA-N 268.335 3.591 30 20 CHED N#Cc1ccc(N2CCC3(CCCCC3)CC2)nc1 61559587 OVEXYHCWCNDWBT-UHFFFAOYSA-N 255.365 3.504 30 20 CHED COc1ccc(CNc2cnc(Cl)cc2C)cc1C#N 186054032 CXPTXXJWKFUHDJ-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NCc1ccc(OCC#N)cc1 308727926 ZFHUVNWFRKVYNI-RHSMWYFYSA-N 272.392 3.647 30 20 CHED C=C(Br)CN[C@]1(C)CCCc2ccccc21 309453386 NAFQLPGDBGWQOP-CQSZACIVSA-N 280.209 3.736 30 20 CHED Cc1nc(N2CCC[C@H]2C(C)C)c(Cl)cc1C#N 310763892 NFCCTIMVVOZHFX-ZDUSSCGKSA-N 263.772 3.540 30 20 CHED COC1(CCNc2ccc(Cl)cc2C#N)CCC1 311211394 LJLLKDHFSASFAB-UHFFFAOYSA-N 264.756 3.583 30 20 CHED C[C@@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)[C@@H]1C 513651286 YINURORKYNXZHP-BREBYQMCSA-N 263.772 3.843 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)NCC(C)(C)CC#N 514938340 HICWCUDPQMBFMT-AWEZNQCLSA-N 264.413 3.815 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC[C@H](C3CC3)C2)c1 77898360 WNZOJADRQLPHJR-DLBZAZTESA-N 254.377 3.617 30 20 CHED C=C(CC)CNCc1nc(-c2ccccc2)cs1 313480233 JGIBJHWDHLJOSD-UHFFFAOYSA-N 258.390 3.866 30 20 CHED N#CCc1cccc(NC(=O)c2sccc2Cl)c1 313440783 HTENJBUIYHCGMG-UHFFFAOYSA-N 276.748 3.720 30 20 CHED CCCc1sc(C(=O)NCC(C)(C)C#N)cc1CC 611694341 KULDCUDSKGJSGN-UHFFFAOYSA-N 278.421 3.543 30 20 CHED N#Cc1ccc(NCc2nnc(C3CC3)s2)c(Cl)c1 453108839 OMGFVJWGRKLOHU-UHFFFAOYSA-N 290.779 3.553 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@H]1C[C@@H]1C 583353323 LMDWIVLDPIJRJY-GOEBONIOSA-N 257.377 3.637 30 20 CHED CCCCCCCCN1C[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 394686301 KZPTYQPCHDEBGX-KKUMJFAQSA-N 267.413 3.532 30 20 CHED C[C@H]1CN(c2cccc(F)c2C#N)c2ccccc21 398586172 QQIPQKUKGHRIEF-NSHDSACASA-N 252.292 3.953 30 20 CHED N#CC1(CNCCc2cccc(C(F)(F)F)c2)CCC1 600164028 AWTWGLZBGGLABB-UHFFFAOYSA-N 282.309 3.531 30 20 CHED C=CCOc1cccc(CN[C@@H](C)c2cccc(O)c2)c1 105461677 IUUSHTGCEXWMHE-AWEZNQCLSA-N 283.371 3.808 30 20 CHED CCCCCCCCC(=O)N(C)C[C@H]1CCCOC1 107649020 STJRSEJRFGYXFW-OAHLLOKOSA-N 269.429 3.622 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CC)c1nc(C)cs1 105305048 NFYLXCASKBJRDV-GFCCVEGCSA-N 281.425 3.510 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)s1 176404207 BMUBXCXJUAOIEC-GQCTYLIASA-N 275.279 3.794 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1ccccc1C 106422071 PBNXWZKMVPCLCC-UHFFFAOYSA-N 272.392 3.516 30 20 CHED C=C(C)CN1CCC(NC(=O)CCCCCCC)CC1 106037039 NHKZKXJQEVUDCL-UHFFFAOYSA-N 280.456 3.504 30 20 CHED C=CCCCCCN(C)C(=O)CC[C@H]1CC[C@H](C)O1 174310456 NYXUDSILAPYFBD-LSDHHAIUSA-N 267.413 3.539 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1occc1C 112184167 MPPAAUFGBZYBJB-UHFFFAOYSA-N 261.365 3.797 30 20 CHED C=C(C)CN(CC)Cc1nc2cc(Cl)ccc2n1C 114712379 RBMSCECXLBRTIV-UHFFFAOYSA-N 277.799 3.625 30 20 CHED C=CCC[C@@H](NCc1ccc(OC)c(OC)c1)C1CC1 119807261 YZDGKTVHPZZWNA-OAHLLOKOSA-N 275.392 3.538 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)n(C3CC3)c2C)c1 66339171 VIVYNFQQAQVSRI-UHFFFAOYSA-N 278.355 3.673 30 20 CHED Cn1ccc2ccc(Nc3ccc(Cl)c(C#N)n3)cc21 302697133 WMZLDDMZNVHBMZ-UHFFFAOYSA-N 282.734 3.842 30 20 CHED N#Cc1ccccc1Oc1ccc([N+](=O)[O-])c2cnccc12 22798462 MYQLCZPZEKGIQN-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C=CCOc1cccc(CN[C@H]2CCC[C@@H](C)C2)c1 66117338 KPMLUHSGMWLBGL-ZBFHGGJFSA-N 259.393 3.920 30 20 CHED CCCCSc1nnc(SCCCC#N)s1 60766918 HXAACONGJKOBQJ-UHFFFAOYSA-N 273.452 3.826 30 20 CHED COc1ccc(CCCN(C)CCCC(C)(C)C#N)cc1 174832041 QIILBHLINCJVHN-UHFFFAOYSA-N 288.435 3.890 30 20 CHED CCc1ccccc1NC(=O)CSc1ccccc1C#N 173710991 WOUKTRVYRWSTAB-UHFFFAOYSA-N 296.395 3.851 30 20 CHED C=CC[C@H](C)NC(=O)Cc1coc2cc(C)c(C)cc12 116852449 BBYJMOUPYNDNHL-ZDUSSCGKSA-N 271.360 3.673 30 20 CHED CC[C@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 172181027 WIYOTXVCHPSZGN-FEAKQIBJSA-N 282.387 3.610 30 20 CHED C[C@H](Nc1c(Cl)cccc1C#N)C(C)(C)CN(C)C 301665073 ZPKVQFZAQVMHAK-NSHDSACASA-N 279.815 3.600 30 20 CHED Cc1c(C(=O)O[C@H](C)CC#N)oc2c(C)cccc12 113690550 MDYXZUVKKHLDDH-SNVBAGLBSA-N 257.289 3.509 30 20 CHED Cc1ccccc1[C@@H](C)Nc1ccc(C#N)c(C)n1 311810564 GKYLNMRKTQIGJS-CYBMUJFWSA-N 251.333 3.743 30 20 CHED Cc1ccccc1[C@H]1CN(c2ccc(F)cc2C#N)CCO1 301428957 PTMKGWWIJCPVEO-GOSISDBHSA-N 296.345 3.584 30 20 CHED C=CCCCC(=O)NC[C@H](C)Oc1cccc(Cl)c1 175968257 VPMVDLQQJFNKKX-LBPRGKRZSA-N 281.783 3.580 30 20 CHED N#Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@H]32)ccc1C(F)(F)F 302601102 YOPJAZCYWCKGMO-YUTCNCBUSA-N 296.292 3.556 30 20 CHED Cc1cc(N[C@@H](CCC#N)c2ccccc2)ccn1 302525301 ZWAUGHSHWOVQGX-INIZCTEOSA-N 251.333 3.847 30 20 CHED CC/N=C(/NCc1ccc(C)cc1)Nc1ccccc1 303491737 YMBKMVCGWXSSQQ-UHFFFAOYSA-N 267.376 3.573 30 20 CHED Cc1cccc2cc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)oc12 408004250 KAUHEUATZUZKKP-XIKOKIGWSA-N 296.370 3.944 30 20 CHED N#Cc1cccnc1Nc1cccc(Oc2ccccn2)c1 301515191 FDLFUDXWVJGXQR-UHFFFAOYSA-N 288.310 3.884 30 20 CHED N#Cc1cc(F)c(NCCOC2CCCCCC2)c(F)c1 303726578 TUYNNHBIJMFSFZ-UHFFFAOYSA-N 294.345 3.988 30 20 CHED C=C(C)COc1cccc(NCc2ccccc2O)c1 129267944 BTXNPSGELKSVIX-UHFFFAOYSA-N 269.344 3.959 30 20 CHED CC(C)(C)c1ccccc1NC(=O)c1ccc(C#N)cn1 70943413 JRIHBAVGMNDCHA-UHFFFAOYSA-N 279.343 3.503 30 20 CHED C=C[C@H](CC(=O)NCCOc1ccccc1)c1ccccc1 123116989 BRWGRRJZWOTGFN-MRXNPFEDSA-N 295.382 3.542 30 20 CHED C[C@H](CNCCCCC#N)c1cccc(Cl)c1 187858187 SMCLBOOJBPOMEF-GFCCVEGCSA-N 250.773 3.727 30 20 CHED CC(C)c1ccc(S[C@H](C)C(=O)N(C)CCC#N)cc1 78822797 KXXKMXXYGZYUBG-CYBMUJFWSA-N 290.432 3.663 30 20 CHED O=C1/C(=C\c2ccsc2)COC/C1=C\c1ccsc1 33724548 HXTDNVRNPLUCTA-FUJGBLOQSA-N 288.393 3.876 30 20 CHED C=CC1CCN(Cc2ccc3c(c2)COC(C)(C)O3)CC1 186345879 SCNJGUCIISCTPF-UHFFFAOYSA-N 287.403 3.730 30 20 CHED COCc1cccc(CSCC2(C#N)CCC2)c1 419442409 KPAWOOISNWFTCS-UHFFFAOYSA-N 261.390 3.760 30 20 CHED C#C[C@H](CCC)NC(=O)c1c(Cl)cccc1Cl 233357415 BEHXGHABNHFDIH-SECBINFHSA-N 270.159 3.525 30 20 CHED Cc1csc(CCCCN[C@@H](C)c2ccc(C#N)cc2)n1 181665926 BUDWMJNVNOXLQM-AWEZNQCLSA-N 299.443 3.997 30 20 CHED Cc1cc(C)c(C#N)c(SCCc2scnc2C)n1 73969021 VWJGJRDCOCQHRV-UHFFFAOYSA-N 289.429 3.670 30 20 CHED CC[C@H](N[C@H](C)C1(OC)CCC1)c1ccc(C#N)cc1 414312501 WPSHZDYXXKCJNN-CJNGLKHVSA-N 272.392 3.557 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1cccc(Oc2ncccn2)c1 187881716 QHONFZXETQBLDK-KRWDZBQOSA-N 298.342 3.777 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1 508497836 NROGDWOPWNHUDS-KBPBESRZSA-N 290.455 3.535 30 20 CHED Cc1cccc(C)c1OCCNc1ccc(C#N)cc1F 506807077 LRKLXOQRVMMYRS-UHFFFAOYSA-N 284.334 3.805 30 20 CHED N#CC1(CCN[C@@H](CCO)C2CCCCC2)CCCCC1 411497335 YYZVEJZVVBLWDE-KRWDZBQOSA-N 292.467 3.771 30 20 CHED CC#CCCCC(=O)N[C@@]1(c2cccc(C)c2)C[C@@H]1CC 501596242 WASFHKDHUUVLQU-LPHOPBHVSA-N 283.415 3.930 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1/C=C/c1ccccc1 503905568 ZNMBVRQIHBVNRJ-FVOQVABISA-N 284.403 3.838 30 20 CHED C=C(C)CN(C)Cc1csc(-c2ccc(F)cc2)n1 181285923 CZISFORURLCXHZ-UHFFFAOYSA-N 276.380 3.957 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cc2ccccc2s1 181991873 IOCGBOLNLYGDKH-CYBMUJFWSA-N 273.357 3.996 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@@H](C)C[C@@H]2c2cccnc2)n1 182610183 WDQMZBCEXJLJEC-YVEFUNNKSA-N 292.386 3.553 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1cc(F)ccc1F 182644008 CDRMPYWKICRCOX-GFCCVEGCSA-N 281.346 3.758 30 20 CHED C=CCc1cc(CN2CCCC[C@@H]2CC)cc(OC)c1O 505315273 WZFYYFWNOALKNL-INIZCTEOSA-N 289.419 3.894 30 20 CHED Cc1ccc(CCC(=O)[C@H](C#N)c2nc(C)cs2)c(C)c1 41517549 JCUAEVIDWHCRAZ-HNNXBMFYSA-N 298.411 3.877 30 20 CHED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/c1ccncc1C#N 504728588 DXFHDYXOXSQWKG-OCPSBLJHSA-N 291.310 3.978 30 20 CHED CCOc1ccc(CNc2ccc(C#N)cc2)cc1OCC 132848024 UCVJVBWWQATQSC-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CCC1(/C(O)=N/CCc2nc(C)oc2C)CCCC1 329101417 FBLFAMIGXJGGFJ-UHFFFAOYSA-N 264.369 3.761 30 20 CHED CC[C@@H](N[C@@H](C)CC#N)c1ccc(Br)cc1 379437025 HXOMMAWTKLRILE-GXFFZTMASA-N 281.197 3.792 30 20 CHED CN(Cc1ccc(Br)cc1C#N)CC1CCC1 336718958 RLUSHPXWWHGGPX-UHFFFAOYSA-N 293.208 3.553 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc(CC#N)c2)c1 410040764 HUXPFFIBFAZYBJ-OAHLLOKOSA-N 292.382 3.861 30 20 CHED O/C(CC/C(O)=N\C1CCCC1)=N\C1CCSCC1 328746990 ASWOLVXCKSFSER-UHFFFAOYSA-N 284.425 3.518 30 20 CHED CC(C)(C/C(O)=N/[C@H]1CCC(O)=NC12CCC2)C1CC1 329209053 YWSUKASCALPIQM-LBPRGKRZSA-N 278.396 3.811 30 20 CHED CC(C)C[C@H](NC(=O)NCC1(C#N)CCC1)c1ccccc1 419408531 XRYGGLZPBWNPEW-INIZCTEOSA-N 299.418 3.767 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](c2ccc(OC)cc2)C1 135001222 DOCJTVWSTZXMFN-YJBOKZPZSA-N 287.403 3.613 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1 193467461 AXIDARADPRTMRF-MRXNPFEDSA-N 290.432 3.855 30 20 CHED C#CCCCCNC(=O)Nc1ccc(Cl)cc1Cl 132875128 PUZFJQIBXYDIBA-UHFFFAOYSA-N 285.174 3.918 30 20 CHED O/C(=N/[C@H]1CCCc2occc21)NC1(c2ccccc2)CC1 328716833 UFMLNUFXKLCKLI-HNNXBMFYSA-N 296.370 3.850 30 20 CHED N#Cc1csc(CN[C@@H](CC(F)F)c2ccccc2)n1 420992366 KOSRJKOPINYOMV-LBPRGKRZSA-N 293.342 3.501 30 20 CHED CCN(CCC#N)C(=O)Nc1cccc(SC(F)F)c1 80187005 NQYYUMLOZQHABB-UHFFFAOYSA-N 299.346 3.769 30 20 CHED Cc1ncc(CSCc2cccc(F)c2C#N)s1 427818525 PCGBGRMCAVGMGE-UHFFFAOYSA-N 278.377 3.896 30 20 CHED Cc1nc(C)c(CN[C@H](CCC#N)c2ccccc2)s1 130466514 JIMGTPNNNWSDHK-OAHLLOKOSA-N 285.416 3.895 30 20 CHED C[C@H](C(=O)N(C)C[C@@H](C)C#N)c1ccc2ccccc2c1 84585279 QIBJZRHURPHTBY-KBPBESRZSA-N 280.371 3.561 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn(CCCC)c1C 135136398 UIQNCZLGCYFFOU-OAHLLOKOSA-N 263.385 3.532 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2nc3c(cc2C#N)CCC3)o1 515555188 TUUALJDJGUOORP-ABAIWWIYSA-N 293.370 3.770 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)c1ccc2ccccc2c1 84583379 NNCSIWMNCSIIKA-GJZGRUSLSA-N 294.398 3.951 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(c2cc(C#N)ccn2)C1 425279790 ILRBCUWYMNMTFT-INIZCTEOSA-N 277.371 3.931 30 20 CHED CCCC[C@H](CC)CNCc1ccc(OC)c(C#N)c1 87822521 WAQSWPFDVDXTKN-AWEZNQCLSA-N 274.408 3.873 30 20 CHED Cc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1C(F)(F)F 86281580 ZMAYVUSVYMMMTH-JTQLQIEISA-N 299.296 3.780 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccn(C)c1C1CCC1 336528029 CSNNCZJMFYPFTR-UHFFFAOYSA-N 293.370 3.725 30 20 CHED N#CCCCCNCc1nc(-c2ccccc2)cs1 237818549 SXZHNAWMEMXPDD-UHFFFAOYSA-N 271.389 3.594 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccccc2F)c1 96298712 DIXFYJOPYWMLTK-HJWRWDBZSA-N 251.260 3.593 30 20 CHED C[C@H]1c2ccccc2CN1c1ncc2c(c1C#N)CCC2 425223158 BKMZWTKRLCESJG-LBPRGKRZSA-N 275.355 3.523 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)[C@@H](C)CC)cc1 236988552 GUDRVUNXXHNTBS-GJZGRUSLSA-N 259.393 3.613 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2cc(F)cc(C)c2C1 512869637 WIHFEPSQVJOLTF-UHFFFAOYSA-N 275.367 3.621 30 20 CHED CCC(CC)(C(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 331114947 KJODQKANOOFSHE-GDBMZVCRSA-N 284.403 3.553 30 20 CHED OC(=Nc1cc(F)cc(Cl)c1O)[C@H]1CCCOCC1 330216022 HKCUVUVSPMCRRH-QMMMGPOBSA-N 287.718 3.589 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1CCC[C@@H](OC)C1 512778359 FOQVBKRSUFWYEF-HZPDHXFCSA-N 287.403 3.949 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)CCC1CCCCC1 512944496 DIVLXHSCMFPOLB-CZUORRHYSA-N 264.413 3.791 30 20 CHED CC(C)c1occc1C(=O)Nc1ccc(F)c(C#N)c1 334540074 RJLOJYWTKDKVLU-UHFFFAOYSA-N 272.279 3.666 30 20 CHED CCc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1C 336633886 DXKQPPFVKCYSOB-UHFFFAOYSA-N 285.391 3.715 30 20 CHED C[C@H](S[C@@H]1CCCN=C1O)/C(O)=N/[C@@H]1CCCC[C@@H]1C 330191447 NBUYAFPZELUHOQ-WUHRBBMRSA-N 298.452 3.762 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1ccnc(OC)c1 438302917 RLBLQZIBJXNKLC-UHFFFAOYSA-N 299.370 3.715 30 20 CHED CCS[C@H]1CCC[C@H]1NCCCCC(C)(C)C#N 233842294 UMJOBUWFCYTZTM-KGLIPLIRSA-N 268.470 3.970 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CC2CCC1CC2 432874394 BGEOVLVUVZESOS-ZALBZXLWSA-N 298.386 3.722 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)Oc1cccc(F)c1 523511016 PLPBODIORLKHBQ-AWEZNQCLSA-N 293.382 3.798 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(OCC2CC2)c(F)c1 343579007 GCZDTAPFOSVGCX-GFCCVEGCSA-N 288.366 3.569 30 20 CHED C=CCCCN[C@H](CC(=O)OC(C)C)c1ccccc1 340848083 LTUDBEWIRBTIOM-MRXNPFEDSA-N 275.392 3.625 30 20 CHED Cc1cc(F)c(NC(=O)N2CCC(C#N)CC2)c(Cl)c1 529252478 WTLKXUTUXMYJKK-UHFFFAOYSA-N 295.745 3.555 30 20 CHED CC1(C)CCN(c2c(Cl)cccc2C#N)CCS1 432940474 RQYUYTGIVLRERD-UHFFFAOYSA-N 280.824 3.934 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 248816544 KZEBNSZANQZIGX-TYNCELHUSA-N 290.794 3.836 30 20 CHED COCC[C@H](C)Sc1ccc(Cl)cc1C#N 601910895 CAGKMPPEDHTWIL-VIFPVBQESA-N 255.770 3.729 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 602283237 VGEYYGYYVKXNRK-IXDOHACOSA-N 296.414 3.551 30 20 CHED C[C@H](NCC1CC(C)(C)C1)c1ccc(C#N)c(F)c1 527349535 ROLVZUZPOLGNAR-NSHDSACASA-N 260.356 3.784 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@H]2CCC[C@H]21 342866616 GINTZGFRPDGEAA-HZPDHXFCSA-N 279.424 3.541 30 20 CHED C=CCCSc1n[nH]c(=Nc2ccccc2F)s1 606755581 CHDAXNSOGAEKQP-UHFFFAOYSA-N 281.381 3.511 30 20 CHED N#Cc1ccc(Cn2nc(C3CC3)cc2C2CC2)cc1 601948656 XDVHDVOSDISEJG-UHFFFAOYSA-N 263.344 3.558 30 20 CHED Cc1cc(/C=C2\CCCC(C)(C)C2=O)ccc1-n1cncn1 255507106 JKVXZWONDLQATN-XNTDXEJSSA-N 295.386 3.738 30 20 CHED CC1=CC(=NNC(=S)Nc2cc(C)ccc2C)CC1 254350345 PZGSMRKQVBEKJV-UHFFFAOYSA-N 273.405 3.686 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)NCC(C)(C)CCC#N 345891931 UAGOGNNWKJTDFF-KBPBESRZSA-N 264.413 3.649 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(O)cc(O)c2)cc1C 255382815 KQSXZMQDFFURBT-WAYWQWQTSA-N 268.312 3.611 30 20 CHED C[C@H]1CC[C@@]2(CCN(c3nccc(C#N)c3Cl)C2)C1 342835303 ODMKJNZEEVKDOH-XHDPSFHLSA-N 275.783 3.623 30 20 CHED Cc1ccc(N=Cc2ccc(O)c(O)c2O)c(Cl)c1 255020693 HKFVEIHTWBHEMT-UHFFFAOYSA-N 277.707 3.516 30 20 CHED COc1cccc(Cl)c1/C=C/c1ccncc1C#N 349105642 GYOFOPHFDIQXEQ-AATRIKPKSA-N 270.719 3.786 30 20 CHED C[C@@H](CCO)C1(CNc2ccc(C#N)c(Cl)c2)CCC1 342790466 RLVQXRCVIADXNB-LBPRGKRZSA-N 292.810 3.812 30 20 CHED COc1ccc(-c2ccc([C@@H]3CCCN3)cc2C)c(C#N)c1 600790444 KRELZMAUCSIKKN-IBGZPJMESA-N 292.382 3.967 30 20 CHED C=CCCO[C@H](C)c1nc(C(C)(C)CC=C)no1 340773923 MANGQHURVWVXQP-LLVKDONJSA-N 250.342 3.577 30 20 CHED CC[C@H](NC(=O)N(C)C[C@H](C)C#N)c1cc(C)ccc1C 602377827 WJWITEFJNSPYCF-CJNGLKHVSA-N 287.407 3.556 30 20 CHED N#CCc1ccccc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 600977688 LKPMNWQZCDVXCL-DJIMGWMZSA-N 296.414 3.841 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CCC)Cc1ccc(C)cc1 520000176 GIVXVAWUIISSTB-INIZCTEOSA-N 289.419 3.715 30 20 CHED N#Cc1cccc(CNCc2cc3cc(F)ccc3o2)c1 343269632 KCNWFFSYUROQAJ-UHFFFAOYSA-N 280.302 3.733 30 20 CHED C=CCC(CC=C)C(=O)N(CC#N)c1ccc(F)cc1C 602385514 BAOWRSGPGPAUCP-UHFFFAOYSA-N 286.350 3.759 30 20 CHED COc1ccc(/C=C\C(=O)c2ccco2)cc1Cl 255726179 JWEHNGPPKHOMQR-XQRVVYSFSA-N 262.692 3.838 30 20 CHED CC1(C)/C(=C\c2cncs2)C(=O)c2ccccc21 255562921 PIUWUPYBCVMMDA-QPEQYQDCSA-N 255.342 3.701 30 20 CHED C=CC[C@H](C)NC(=O)CCCCCc1ccc(O)cc1 604902674 WVLAEBWDFFWRPI-AWEZNQCLSA-N 275.392 3.576 30 20 CHED C=CCSCc1cc(-c2ccc(OC)cc2)no1 609634012 WIPYTOYQZHHOTC-UHFFFAOYSA-N 261.346 3.769 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)C1CCCCC1 358805960 MFMXUFMZJWUKDI-UHFFFAOYSA-N 274.412 3.501 30 20 CHED COc1cc(CNc2cccc(OC(C)C)c2)ccc1C#N 449466898 JIAYZROALGKXAR-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)Nc1cccc(C#N)c1 446117299 HLXRJEINMYZBMN-ZDUSSCGKSA-N 285.391 3.991 30 20 CHED COC1CCC(CCNCC(C)(C)CCC#N)CC1 350223196 LFBLHIZIGSVPSI-UHFFFAOYSA-N 266.429 3.501 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2ccccc2n1CC#N 611433557 NMRHOKXFGOBNIY-AWEZNQCLSA-N 295.386 3.639 30 20 CHED COc1ccc(C)cc1CCNCc1ccc(C#N)c(C)c1 443979144 NXDADKGPUSGFCW-UHFFFAOYSA-N 294.398 3.516 30 20 CHED Cc1ccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618667948 NPWGDPPVQGTKQS-QGZVFWFLSA-N 291.354 3.676 30 20 CHED N#Cc1cc(N[C@H](c2ccccc2)C2CCCC2)ncn1 617947360 UUPMPMNWDRRUMM-QGZVFWFLSA-N 278.359 3.692 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccc2c(c1)oc1ccccc12 352575597 CDTZUBIYYJPPHQ-GFCCVEGCSA-N 292.338 3.960 30 20 CHED Cc1ncc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 618802865 MEGHJHKDZJPQKT-BMIGLBTASA-N 283.400 3.661 30 20 CHED COCCN(CCCCC(C)(C)C#N)[C@H]1CC[C@@H](C)C1 444700269 GBSGTPRWEIPVPT-CVEARBPZSA-N 280.456 3.843 30 20 CHED C=CCN(C(=O)COc1cc(C)ccc1C(C)C)C1CC1 536820195 GTRJTKHQDIGMKJ-UHFFFAOYSA-N 287.403 3.674 30 20 CHED CO[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1Cl 613255468 GGVVFUFZXNVKED-XJKCOSOUSA-N 292.810 3.699 30 20 CHED C=CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 617614864 RAZNNWNSCKJWPN-AWEZNQCLSA-N 275.392 3.578 30 20 CHED CN(Cc1c(Cl)cccc1Cl)C(=O)C1(C#N)CCC1 265603336 MSZNKRYKPISMOJ-UHFFFAOYSA-N 297.185 3.646 30 20 CHED C=CCCC[C@H](C)NC(=O)CCn1ccc2ccccc21 539437018 WQWWTEBDHGTYBW-HNNXBMFYSA-N 284.403 3.892 30 20 CHED CC[C@H](C(=O)NCC(C)(C)C#N)C1CCC(C)CC1 613133215 HPLPOUUCOWUPLK-RUXDESIVSA-N 264.413 3.505 30 20 CHED CC(C)Oc1ccccc1CN1CCCC(C)(C)[C@@H]1C#N 444724550 ZRGDDARWDFJQTA-KRWDZBQOSA-N 286.419 3.988 30 20 CHED C=C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 534879082 SZZNCGDWRAIXNS-UHFFFAOYSA-N 295.342 3.813 30 20 CHED COc1cccc(C2(NCc3ccc(C#N)cc3C)CC2)c1 614407210 HYDQDALQDPGCNB-UHFFFAOYSA-N 292.382 3.654 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)C1Cc2ccccc2C1 538371372 PNPHULQBRUNGHJ-CQSZACIVSA-N 286.419 3.540 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cn1 619754679 HNXOLYHDZGRXOU-SNVBAGLBSA-N 289.741 3.597 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccncc2CC)CCCC1 450391037 LJLIFEJIYUFXBJ-CQSZACIVSA-N 286.419 3.958 30 20 CHED C=C(C)COc1cc(CN2C[C@H](C)C[C@@H]2C)ccc1OC 539820683 CZGIOUVGHZHCEN-CABCVRRESA-N 289.419 3.880 30 20 CHED C=C(C)CN[C@H](c1ccc(C)cc1)c1ccccn1 369313008 VHSAKJQSUNAHEK-QGZVFWFLSA-N 252.361 3.645 30 20 CHED C=C(CC)CNc1cccc(COCCOCC)c1C 539095720 VEUJVTXAZOCIIY-UHFFFAOYSA-N 277.408 3.926 30 20 CHED CCC[C@@](C)(CC)C(=O)N[C@H](C)c1cccc(C#N)c1 619438114 PQTPESKAASQHCT-CXAGYDPISA-N 272.392 3.952 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)NCc1cccc(C#N)c1 457692282 ZFSSEMMKUMQINA-SFHVURJKSA-N 299.418 3.668 30 20 CHED C=CCCCN(C)C(=O)Nc1ccc(C(=O)C(C)C)cc1 455826250 URVGJHYKTTZXCP-UHFFFAOYSA-N 288.391 3.955 30 20 CHED C=C[C@@H](CC(=O)NCCCC(F)(F)F)c1ccccc1 270329660 LCGOATQKTYQUOJ-LBPRGKRZSA-N 285.309 3.805 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C 456317777 FNIJBWKZQZZKRV-IJEWVQPXSA-N 251.414 3.728 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1cc2ccccc2o1 278567697 QLZGVEFXFINQTR-NSHDSACASA-N 270.332 3.550 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OCCC)cc1C 276310744 NBDYSSKHUZJSQS-UHFFFAOYSA-N 276.380 3.824 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)c1 544252475 ZUTAZDWLQOSPJE-UHFFFAOYSA-N 286.294 3.757 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)C[C@H](CC(F)(F)F)[C@H]1C 452229591 IAQLUFJKTZZYFS-YNEHKIRRSA-N 289.341 3.758 30 20 CHED CCC1(CC)[C@@H](Nc2ncc(C#N)cc2Cl)C[C@@H]1OC 360774142 WYOQTRDFNHCLJV-STQMWFEESA-N 293.798 3.612 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C[C@H]1C 451201702 KPLQSANGHCISJN-APIJFGDWSA-N 276.424 3.599 30 20 CHED C=C(C)[C@H](NC(=O)[C@H](CCC)OC)c1ccc(F)c(F)c1 450717572 QDPXHDDTZUHJPS-GJZGRUSLSA-N 297.345 3.513 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccc(F)c(F)c2)nc1 363403459 BLFDURKRJGZUNY-HNNXBMFYSA-N 285.297 3.573 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 454892476 UMDVUVWDSXAPGR-UONOGXRCSA-N 290.382 3.727 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cn(CCCC)nc1C 540319930 HIWVHECILQXMFP-KBPBESRZSA-N 263.429 3.682 30 20 CHED C=CCCN(C)C(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 276445082 TWSHZDYJEPEPNM-GFCCVEGCSA-N 293.794 3.583 30 20 CHED C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@@H]2CCCC[C@@H]12 543907482 QKPUNAQQQMBSRZ-OAUYIBNBSA-N 272.367 3.708 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)n(CC)c1C 620863531 YQHHRJHIJDUKHC-UHFFFAOYSA-N 262.397 3.599 30 20 CHED CC[C@H](CC(=O)Nc1ccc(C#N)cc1OC)C(C)C 546004277 SAMAIQZEGMDVRB-CYBMUJFWSA-N 274.364 3.578 30 20 CHED CC(C)CCc1noc([C@@H](C)Oc2ccccc2C#N)n1 547119370 PZTBZCMGUWBXEC-GFCCVEGCSA-N 285.347 3.670 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 465119442 HFRGAFMPXYTVCL-LSDHHAIUSA-N 295.382 3.812 30 20 CHED C=C[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1)C(C)C 465117280 YHZZQCJXJRFYEX-FZMZJTMJSA-N 265.784 3.770 30 20 CHED Cc1cccc2nc(CSCCC(C)(C)C#N)cn12 276627647 PGYZCZFVVFQANR-UHFFFAOYSA-N 273.405 3.816 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 540323620 IVKPIOOHDXYMLA-UHOFOFEASA-N 275.367 3.790 30 20 CHED C=C(C)CNC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 547982308 WLFQIBQYXNRASE-CQSZACIVSA-N 296.370 3.528 30 20 CHED C=CCCN(C)Cc1ccc(OC)c(OCCCC)c1 467374252 VLHKGKCVAZPQKG-UHFFFAOYSA-N 277.408 3.882 30 20 CHED CC(C)(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 286093236 UBADJQMKHOLBBC-SFHVURJKSA-N 284.403 3.507 30 20 CHED C#CCCCC(=O)N1CCC(=Cc2cccc(F)c2)CC1 375416916 SMYLHEXPLILITQ-UHFFFAOYSA-N 285.362 3.635 30 20 CHED C=CCOCCSc1nnc(-c2ccc(C)c(C)c2)o1 558807226 IGUIFHSHEZUKDQ-UHFFFAOYSA-N 290.388 3.648 30 20 CHED CC#CCCNC(=O)c1ccc(C(C)C)c(Cl)c1 469807962 JIYFZFUPNYMPKV-UHFFFAOYSA-N 263.768 3.607 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H]1CCCCC12CCCC2 462970004 RCKYCTDGFHWISE-GJZGRUSLSA-N 279.424 3.587 30 20 CHED CC(C)[C@H](CN(C)CC(C)(C)C#N)c1ccccc1 552084928 GGXNJBJXLVUGKJ-INIZCTEOSA-N 258.409 3.908 30 20 CHED CN(C(=O)Nc1ccc(C#N)cc1)C1CCC(F)(F)CC1 286987400 OVJJSLVMBMTOKT-UHFFFAOYSA-N 293.317 3.600 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCCc1ccccc1)CC2 554996722 BCXNYHIQALOIHT-IBGZPJMESA-N 276.383 3.768 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(F)c(F)c1F 281381346 OKNGWWZINZLYNR-QMMMGPOBSA-N 272.270 3.580 30 20 CHED C=CCCCCCCNC(=O)c1ccc(NC(C)=O)cc1 286890777 DWSLFXXSDYSLRA-UHFFFAOYSA-N 288.391 3.511 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](c1ccccc1)C(C)C 466546318 WGMUFKIBLQSAOW-JKSUJKDBSA-N 259.393 3.897 30 20 CHED C=CCc1ccc(OCC2CC(OCC)C2)c(OC)c1 285052110 GOCLXQSENCCWFE-UHFFFAOYSA-N 276.376 3.618 30 20 CHED C[C@@H]1[C@H](NCCc2cccc(C#N)c2)C[C@H]1c1ccccc1 467445613 LJFAMPFXGBMRQM-CWFSZBLJSA-N 290.410 3.883 30 20 CHED C/C=C/c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 553702631 SOWAVJUELOFIPY-NSCUHMNNSA-N 262.312 3.844 30 20 CHED COC(=O)c1ccccc1CCSCCC(C)(C)C#N 289497267 YULLJKQDWLWQQN-UHFFFAOYSA-N 291.416 3.689 30 20 CHED CC(C)Oc1ccccc1CSCCO[C@H](C)C#N 802749777 NAJWZQRJRYSJOZ-CYBMUJFWSA-N 279.405 3.636 30 20 CHED C=CCC1(N[C@H](C)c2cnc(C)nc2C)CCCC1 639320243 HOWJUYRKNVZUBU-CYBMUJFWSA-N 259.397 3.633 30 20 CHED N#Cc1cccc(NN=C2CCC[C@@H]2CCCF)c1 800810581 VZRCWJCIAYOWOG-CYBMUJFWSA-N 259.328 3.876 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 474574094 BTCNIIOIJQNBSK-BJJXKVORSA-N 290.382 3.726 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[C@@H](C)C1 475483848 WDWBHDJZTNMPIZ-WBVHZDCISA-N 286.419 3.820 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 473327985 NYXHXWXURLTRKV-OWCLPIDISA-N 297.402 3.957 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](OC)c1cccc(Cl)c1 645653512 SNGGLFYEIJBPNM-AWEZNQCLSA-N 295.810 3.746 30 20 CHED C[C@H](NC(=O)CCCC#N)C1(c2ccccc2)CCCC1 293262344 LGNTXKHEWQRMDS-HNNXBMFYSA-N 284.403 3.697 30 20 CHED CSc1cccc(NC(=O)c2ncc(C#N)cc2C)c1C 560358042 HGJAQFSQZPNIGC-UHFFFAOYSA-N 297.383 3.544 30 20 CHED CC(C)(C)CCCCC(=O)OCC1(CC#N)CC1 805887911 BBHCHDNDRHTJMA-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CCCCN1CCC(N[C@H](CC)c2ccc(C#N)cc2)CC1 567374465 CIEZZUAIHFSESY-LJQANCHMSA-N 299.462 3.863 30 20 CHED Cc1ccc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)cn1 297903313 WUTQXGNRWISFAY-UHFFFAOYSA-N 299.399 3.873 30 20 CHED Cc1ccsc1C(=O)N1CCCc2cc(C#N)ccc21 297726642 JSVGQUXOFLNKBO-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C 565807269 OEEUUVZEFUSWBP-FZKQIMNGSA-N 297.377 3.801 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)Cc1ccc(OC)c(OC)c1C 560536271 JVOLVIIKEGZDKK-XJKSGUPXSA-N 291.435 3.888 30 20 CHED CC(=NNc1cccc(C)c1)[C@@H](C)NC(=O)OC(C)(C)C 811629005 HEJKMHMENPHQGJ-GFCCVEGCSA-N 291.395 3.696 30 20 CHED C=CCCCCOC(=O)[C@@H](SC)c1ccccc1 811008311 DSCDTJPBDZPQCS-AWEZNQCLSA-N 264.390 3.990 30 20 CHED Cc1ccc2c(c1)CN(c1cc(C#N)c3ccccc3n1)C2 481081367 OQAQCUYRLFHDCO-UHFFFAOYSA-N 285.350 3.935 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(C#N)cc2F)cc1 814984529 AZDBZVDBTXTINO-UHFFFAOYSA-N 297.333 3.932 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)[C@H]1CC[C@H](C)C1 489032739 AZVMMCLMZIMJEH-KSSFIOAISA-N 286.419 3.504 30 20 CHED N#C[C@@H](C(=O)/C(F)=C/C1CCCCC1)c1ccccn1 815907196 VIPPLRRJEAWKOS-JFBXQDQPSA-N 272.323 3.692 30 20 CHED C=C(C)CN(CC)C[C@H](O)c1cccc2ccccc12 815011814 AYOXXZRXQMASQE-SFHVURJKSA-N 269.388 3.771 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CS[C@H](C(C)(C)C)C1 488588314 KSZHQJIKWMSFPG-DOMZBBRYSA-N 290.432 3.899 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc2ccncc2c1 819942368 AKMQZRJOVCMQMZ-UHFFFAOYSA-N 255.317 3.743 30 20 CHED CCN(CCc1ccncc1C)[C@@H](C)c1ccc(C#N)cc1 573799076 WNXUILFVBPGHOI-INIZCTEOSA-N 293.414 3.887 30 20 CHED CC(C)(C)c1nsc(Sc2ccc(C#N)cc2F)n1 489628474 NHRIEBVKDOTVEZ-UHFFFAOYSA-N 293.392 3.998 30 20 CHED CC[C@@H](OC(=O)c1cc(O)cc(C#N)c1)c1ccccc1 811184271 LDLSDJRJOOKGFH-MRXNPFEDSA-N 281.311 3.572 30 20 CHED Cc1cccc(C(C)C)c1NN=C1C[C@@H](C)N(C)C1 812232320 DGVVSDBGADILEY-CYBMUJFWSA-N 259.397 3.610 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@]2(C)CC2(F)F)s1 817735412 ZSGPFTBLWPITAV-ISVAXAHUSA-N 298.358 3.662 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 656760495 VOWDHHPFMJFZTM-CYBMUJFWSA-N 299.370 3.919 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)c1cc2cccc(Cl)c2o1 813300976 SITXURWENVKOKY-HNNXBMFYSA-N 288.734 3.508 30 20 CHED N#C[C@H]1CC[C@H](Nc2cnn(-c3ccc(Cl)cc3)c2)C1 579340892 VXAMDNSWFQQJGM-AAEUAGOBSA-N 286.766 3.630 30 20 CHED Cc1[nH]c(=N[C@H](C)c2cc3cccc(F)c3o2)ccc1C#N 487736575 DLGCHHOAXPKTGL-LLVKDONJSA-N 295.317 3.742 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CCc2ccccc2C1 570048410 TUFJAXUWZYPKFZ-YOEHRIQHSA-N 271.404 3.653 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCc3sccc3C)c2c1 488056783 ZMPXGNWTCGGBKR-UHFFFAOYSA-N 293.395 3.819 30 20 CHED CCCOc1ccc(C(C)=NNC2CCCC2)cc1 727652409 OTQXNAVSXLDSMR-UHFFFAOYSA-N 260.381 3.732 30 20 CHED C#Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)nc1 728799350 VRPKZKOPYYONCL-UHFFFAOYSA-N 291.137 3.622 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1 488814580 JRJABJKAERDVJD-MRXNPFEDSA-N 257.377 3.991 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)CSc1ccc(C)cc1 816158040 JCGDLLCVOVZCJB-LBPRGKRZSA-N 299.386 3.803 30 20 CHED C#Cc1ccccc1CC(=O)NCC1(CC(C)C)CCC1 810510370 PEXMQNWRJWTECD-UHFFFAOYSA-N 283.415 3.543 30 20 CHED C=CC[C@@H](Cc1ccccc1)n1cc(C(C)(C)OC)nn1 656457300 KTDCYCHHLDVQQK-HNNXBMFYSA-N 285.391 3.520 30 20 CHED CC(C)c1ccccc1N=C1NN=C(c2ccc[nH]2)CS1 727171582 BQYWMRGQPCLEKT-UHFFFAOYSA-N 298.415 3.866 30 20 CHED CCCCC[C@@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 822394253 LOSGPDYBJSKTLQ-CZUORRHYSA-N 262.397 3.545 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccncc2N2CCCC2)no1 577305392 MBHAXCZIHYHEJT-QGZVFWFLSA-N 298.390 3.586 30 20 CHED C[C@@H](NC(=O)c1sccc1C#N)[C@H](C)C1CCCCC1 490886811 UFVCIFGXYAOOGZ-NWDGAFQWSA-N 290.432 3.954 30 20 CHED C#Cc1cccc(CNCc2cccc(OC(C)C)c2)c1 825227566 UUASYKCVIKGQSG-UHFFFAOYSA-N 279.383 3.745 30 20 CHED C=CCNC(=O)c1ccc(-c2ccc(F)cc2)cc1F 729965219 QSMXEHQCRQVYSA-UHFFFAOYSA-N 273.282 3.548 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(F)nc2)s1 588524041 VLXKRKANKKONLF-UTCJRWHESA-N 261.321 3.741 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NC1CCC1 584109824 GAEDLNBAFZRKFA-UHFFFAOYSA-N 257.724 3.724 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F 588386946 UHLQCPWAYKSYHV-TWGQIWQCSA-N 289.237 3.769 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)C#Cc2cccs2)cc1 824603612 WMEFMVIEDHWGFM-QGZVFWFLSA-N 295.407 3.772 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@]1(CCC)C(F)(F)F 499067222 AOZCVRHZTNGRPS-STQMWFEESA-N 279.346 3.511 30 20 CHED C=CCCNC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 661564755 DTQSHLNIGZVCSB-INIZCTEOSA-N 284.403 3.889 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C/c1ccc[nH]1 491994692 BLDMQYVSPMWZPT-ZHACJKMWSA-N 280.371 3.633 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc2[nH]ccc12 904676402 AZHHSPMIOWUYMH-UHFFFAOYSA-N 283.375 3.712 30 20 CHED C=C(C)COc1cccc(NC(=O)COC2CCCC2)c1 589383113 ZNLKVDAKMKCCFS-UHFFFAOYSA-N 289.375 3.539 30 20 CHED C[C@@H](CC(=O)N(C)CC(C)(C)C#N)C1CCCCC1 497347109 KLVSNHGNSQLGBO-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED CC[C@H](O)CNN=C1CC=C(c2ccc(Cl)cc2)CC1 834980057 OBYDKUDRTREZPY-INIZCTEOSA-N 292.810 3.624 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)CC1 831611401 VSWDLBGEZXHICB-UHFFFAOYSA-N 293.370 3.559 30 20 CHED C=CC(C)(C)CN[C@@H](CC)c1ccc(F)cc1O 834883331 JESQMIAYISEJEI-ZDUSSCGKSA-N 251.345 3.784 30 20 CHED Cc1c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cnc2ccccc12 839051837 GRBSJJSQFNOKNI-UONOGXRCSA-N 294.354 3.782 30 20 CHED C=CCCC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 588086556 NUZIIBHKPZOJCG-HNNXBMFYSA-N 282.387 3.840 30 20 CHED CCO[C@@H]1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 902826607 GFJCVJVZSHFOAG-RRQGHBQHSA-N 272.392 3.557 30 20 CHED Cc1c(NN=Cc2cccc(F)c2F)cccc1[N+](=O)[O-] 730732879 QFMWYCULAVLREO-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C#CCCCC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 837067222 XRTVKZJXVMREFS-MSOLQXFVSA-N 283.415 3.880 30 20 CHED C=CCC[C@H](O)CNC(C)(C)c1ccc(C(C)C)cc1 675496299 PUUUGWQWBVARPJ-KRWDZBQOSA-N 275.436 3.962 30 20 CHED COc1ccc(C(=O)/C=C\c2cncn2C(C)C)c(F)c1 901420703 SVXSNHSPMHJGCF-DAXSKMNVSA-N 288.322 3.508 30 20 CHED CCCCCCCC(=O)Nc1ccc(N2CCCC2)nc1 900715860 BQNYJHXKWWZOBF-UHFFFAOYSA-N 289.423 3.981 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@]1(C)CCC[C@H]1C 839323197 YTIYPFRKWNLROA-PBFPGSCMSA-N 286.375 3.742 30 20 CHED CCCCNC(=S)Nc1ccccc1SCCC#N 730952717 BWIXHWRLDZGXHB-UHFFFAOYSA-N 293.461 3.779 30 20 CHED C=CCN(C(=S)Nc1ccc(OCC)cc1)C(C)C 917589429 XWOHLBNXPIYASX-UHFFFAOYSA-N 278.421 3.679 30 20 CHED N#Cc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)cc1 593952698 MSTFOPLZYSIKIC-UHFFFAOYSA-N 288.350 3.797 30 20 CHED Cc1ccc(NC(=O)c2ccccc2SCC#N)cc1O 747940456 VJMHZMLBQCDSRW-UHFFFAOYSA-N 298.367 3.569 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1ccccc1 596624424 COFXZTSOLJQYIF-UHFFFAOYSA-N 256.349 3.514 30 20 CHED Cc1nc(C(C)C)ccc1CN1CCC[C@@H](CC#N)C1 595623505 RVWJNAKSWVJJKC-HNNXBMFYSA-N 271.408 3.639 30 20 CHED C=CCC(C)(C)c1nc(CC2(CSC)CC2)no1 596612107 RHWCGCOWXBNNNR-UHFFFAOYSA-N 266.410 3.609 30 20 CHED Cc1ccc(C(=O)OCCC2(C#N)CCCCC2)nc1C 840596004 BFHMSPCWRXNMKC-UHFFFAOYSA-N 286.375 3.719 30 20 CHED COc1cc(OC)cc(-c2ccccc2C2(C#N)CC2)c1 596647559 PMHFOGARIUNULL-UHFFFAOYSA-N 279.339 3.926 30 20 CHED C[C@@H](OC(=O)c1cccc(N(C)C)c1)c1ccc(C#N)cc1 748677712 RLPBDMMBEOFMQH-CYBMUJFWSA-N 294.354 3.542 30 20 CHED C=CCCOCC(=O)N(CCC)c1ccc(Cl)cc1 599812804 RNFJHCCOUQKJNM-UHFFFAOYSA-N 281.783 3.676 30 20 CHED CC1=C(C)C[C@H](C(=O)NC2(c3cccc(C#N)c3)CC2)CC1 592609472 LRDYVONTMDSNMR-MRXNPFEDSA-N 294.398 3.800 30 20 CHED C=CCc1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1C 743443700 XZKPDOJVAABVIF-UHFFFAOYSA-N 297.310 3.851 30 20 CHED N#Cc1ccc(F)c(CNCc2c(F)cccc2Cl)c1 742384017 YHJVBDSKXXNGFY-UHFFFAOYSA-N 292.716 3.780 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccccc1Cl 748935206 MPJQNACGKDFTGJ-UHFFFAOYSA-N 285.730 3.877 30 20 CHED CCCCCCCC(=O)N1CCOc2ccc(OC)cc21 742841396 VXHSIVQCSSNRGL-UHFFFAOYSA-N 291.391 3.781 30 20 CHED C/C(=C/C(=O)O[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 745484468 QEKSIKSBHUSJLM-MBACFSSFSA-N 283.249 3.564 30 20 CHED CC[C@H](OCCSCCO[C@H](C)C#N)c1ccccc1 844643896 CLALCPTVLZIBCZ-ZBFHGGJFSA-N 293.432 3.816 30 20 CHED N#CCc1ccc(COc2cccc(OC3CC3)c2)cc1 596312709 YWHTUSYUQTWMIG-UHFFFAOYSA-N 279.339 3.873 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1ccncc1 916136241 JYTQVBKJSIIRPK-GQCTYLIASA-N 260.296 3.526 30 20 CHED N#C[C@H](C(=O)Cc1csc2ccccc12)c1ccccn1 916881539 CBLSGNWQQVFXSU-AWEZNQCLSA-N 292.363 3.715 30 20 CHED Cc1cc(C)c(NN=Cc2c(C)noc2C)c(C)c1 916339944 ZYGXXVVBQLXNOR-UHFFFAOYSA-N 257.337 3.663 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 749373697 MZGSAWWBYUKUJI-PEKVBPLLSA-N 284.403 3.806 30 20 CHED CC[C@H](Cc1ccc(F)cc1)NCc1cc(C#N)cs1 594949640 FVILYPVJSHFICV-OAHLLOKOSA-N 288.391 3.870 30 20 CHED Cc1cccc2c(N3CCCC(F)(F)C3)c(C#N)cnc12 593486838 GPZOQGWKDYPUBW-UHFFFAOYSA-N 287.313 3.650 30 20 CHED CCn1cc(C=Nn2cnc3ccccc32)c2ccccc21 915049248 PAMLVFSCFMNRSC-UHFFFAOYSA-N 288.354 3.893 30 20 CHED CC[C@H](/N=C\c1cc2ccccc2nc1O)c1ccncc1 741466551 VCWQFFBDJKLGQY-DEFALTHMSA-N 291.354 3.906 30 20 CHED CC(C)(C#N)C[C@@H](O)CNc1ccc(C(C)(C)C)cc1 598726025 MOVVZLWMSLDTMR-OAHLLOKOSA-N 274.408 3.697 30 20 CHED C=C(Cl)C[S@](=O)[C@@H](C)c1ccc2c(c1)CCC2 841725458 KLSYDIBLSBUSDJ-GTNSWQLSSA-N 268.809 3.738 30 20 CHED N#Cc1nc(NC2(Cc3ccccc3)CC2)sc1Cl 596237850 BKIGBCGCDVBQDX-UHFFFAOYSA-N 289.791 3.855 30 20 CHED CC1(C#N)CCC(NCc2ccc3occc3c2)CC1 594969007 UMWCBDGNLLNNNE-UHFFFAOYSA-N 268.360 3.995 30 20 CHED C=CCCCC(=O)OCc1ccc(F)cc1Cl 748234293 PWKQDEPYROQSTC-UHFFFAOYSA-N 256.704 3.879 30 20 CHED CCO[C@@H]1C[C@@H](/N=C\c2cccc(O)c2O)C1(CC)CC 749845855 URMYEPUFTLVWGG-QIWHAVBOSA-N 291.391 3.501 30 20 CHED N#C[C@H]1CC[C@@H](Sc2ccc([N+](=O)[O-])cc2F)C1 590736754 CPXTZHDEUJPMQM-WCBMZHEXSA-N 266.297 3.518 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C(=O)O)c1ccccc1 840996044 HUZYPPCBIZHNTM-ZBFHGGJFSA-N 275.392 3.927 30 20 CHED C=CCc1ccc(OC(=O)CCC2CCC2)c(OC)c1 749313601 HTEJFWFLKQNHLC-UHFFFAOYSA-N 274.360 3.909 30 20 CHED CC(C)CCN1CCC(CN[C@@H](C)CC(C)(C)C#N)CC1 925232382 KFAJDSHVUJFWAG-INIZCTEOSA-N 293.499 3.662 30 20 CHED N#Cc1cc2ccccc2nc1N1CC[C@H](C2CCC2)C1 840391720 MVDJUBJZSDUTGZ-HNNXBMFYSA-N 277.371 3.733 30 20 CHED C=C[C@@H](OC(=O)c1cccc(SC)n1)C(C)(C)C 842788307 HBEWKDMJRARWRV-LLVKDONJSA-N 265.378 3.561 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1[C@@H](C)c1ccccc1 928382347 FEDGTKFRRMRPSY-FUHWJXTLSA-N 283.415 3.975 30 20 CHED C=CCCN(C)C(=O)CCc1ccc(C)c(Cl)c1 682428707 LHZXLNANQBJPMR-UHFFFAOYSA-N 265.784 3.616 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1scnc1COC 851142164 GLBPNDDMLQYYNL-DGCLKSJQSA-N 295.404 3.581 30 20 CHED Clc1ccc2c(ccn2CCON=CC2CC2)c1 853736022 JBYBDHWTPPOKBD-UHFFFAOYSA-N 262.740 3.707 30 20 CHED Cc1cc(F)ccc1C=NNc1cc(F)cc(F)c1 750935818 GYDUZZRKCFVQGW-UHFFFAOYSA-N 264.250 3.858 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1cc(F)ccc1O 759082002 AZSPOZBVFHTHIF-ONEGZZNKSA-N 283.711 3.537 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC[C@@H](C)C1 851210929 ZVYJWUBOMFMAAJ-AGIUHOORSA-N 251.370 3.684 30 20 CHED CC(C)(C#N)CNCc1cc(-c2ccccc2)ccc1O 757907166 SOKWWOCOJRKJLH-UHFFFAOYSA-N 280.371 3.699 30 20 CHED Fc1cccc(NN=Cc2cc(Cl)c3c(c2)OCO3)c1 920384389 UKPDPBIMIMAQMG-UHFFFAOYSA-N 292.697 3.654 30 20 CHED C#CC[C@@H](NC(=O)NCCC1=CCCCC1)c1ccccc1 756867259 LFWFOFHYHYPNSI-GOSISDBHSA-N 296.414 3.941 30 20 CHED C[C@@H](C#N)c1ccc(-c2cnn([C@H]3CCCCO3)c2)cc1 854209773 KFTFKZIKMUDPQJ-SUMWQHHRSA-N 281.359 3.876 30 20 CHED C#CCCCCCC(=O)OC[C@H](OC)c1ccc(F)cc1 859629456 AJHHIKNXTNYGMJ-INIZCTEOSA-N 292.350 3.640 30 20 CHED C=CCC[C@H](N[C@H](C)c1nonc1C)c1ccccc1 925581422 ZJWZVKREGHEIDT-DOMZBBRYSA-N 271.364 3.736 30 20 CHED CCOc1ccc(-c2cnn([C@@H]3CCCCO3)c2)cc1C#N 854207902 PZSCZIGMVIIKQN-KRWDZBQOSA-N 297.358 3.520 30 20 CHED C=C[C@@H](C)NC(=O)c1sc2ccccc2c1Cl 757009797 NCHVTGQGENXPHV-MRVPVSSYSA-N 265.765 3.859 30 20 CHED CC(=NNC(=S)Nc1cc(C)ccc1C)c1ccoc1 755879569 MGFLWOPGXSLUQG-UHFFFAOYSA-N 287.388 3.607 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CC=C(Cl)Cl 852192141 PEKPXANZZXVQTG-JTQLQIEISA-N 269.175 3.870 30 20 CHED C=CCCSCCN[C@@H]1CCc2ccc(Cl)nc21 857914950 RJBAJNKWHIAKOM-GFCCVEGCSA-N 282.840 3.621 30 20 CHED Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1C 851213079 DBMWPULGJZZBRH-CYBMUJFWSA-N 259.349 3.789 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCCCC2(C)C)c1 757763433 HODLXOLYDPULRA-HNNXBMFYSA-N 270.376 3.758 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cc1)c1ccn(C)n1 758128010 AWCANJZIWLZCPX-UHFFFAOYSA-N 296.296 3.665 30 20 CHED C(=NOCc1csc(C2CCCC2)n1)C1CC1 853735577 WKPJENZAXOMBPN-UHFFFAOYSA-N 250.367 3.713 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(C(C)C)c2)cnn1C 853004183 AQBOYSUSFQHXTH-CMDGGOBGSA-N 268.360 3.748 30 20 CHED C/C(=C\Cl)CSc1nc(C#N)c(Cl)s1 853566271 FRRTURZUSUPYOD-GORDUTHDSA-N 265.190 3.903 30 20 CHED C[C@H]1CN(C(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 931837662 KTWSXDDZHHQAEZ-FZMZJTMJSA-N 297.383 3.845 30 20 CHED FC(F)CON=C/C(Br)=C/c1ccccc1 758907551 YCKJOCJNGRLINZ-JKYOZOJBSA-N 290.107 3.690 30 20 CHED COc1ccc(NN=Cc2ccc(Cl)c(F)c2)cc1 750926432 XSJQJDNKSKAMER-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CSC[C@@H]1CCCN(CCCCC2(C#N)CCC2)C1 930558687 IHPXFTCWMLVMIV-OAHLLOKOSA-N 280.481 3.926 30 20 CHED C=C1CCN(C(=O)Nc2ccc3cnn(C(C)C)c3c2)CC1 930028118 HDYGTDSMULRCHO-UHFFFAOYSA-N 298.390 3.801 30 20 CHED C=CC[C@@H](NC(=O)[C@H](CCC)C(C)C)c1ccncc1 764022555 QGHNFBCXRFRYLD-HZPDHXFCSA-N 274.408 3.887 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)c1ccccc1C)c1ccncc1 932887519 UWRXMHWPCOFJHT-QAPCUYQASA-N 294.398 3.927 30 20 CHED C#CCCNc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C 760297070 PEYDURMJCGSGRY-HUUCEWRRSA-N 298.430 3.548 30 20 CHED Cc1cc(/C=C/c2ncc(/C=C\C(=O)O)s2)ccc1C#N 766491359 OHDDGARLYQCAPU-MZECIPTHSA-N 296.351 3.591 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)C(Cl)(Cl)Cl 860642591 DKWOMBRMASBRTN-ZETCQYMHSA-N 286.586 3.618 30 20 CHED CCC/C(C)=C/C(=O)NC(C#N)(CCC)CCC 762617700 NVCAVAOCOJEDQG-ACCUITESSA-N 250.386 3.712 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)/C=C(\C)c1ccccc1 767159881 MGJPCYZQXQFUOI-ACCUITESSA-N 295.304 3.504 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1ccc2ccccc2n1 933602336 XZGVCPUUJDEFRY-CYBMUJFWSA-N 268.360 3.800 30 20 CHED Cc1ccc(CC(=O)NC2(C#N)CCCCC2)cc1Cl 931297652 MBQWGUQAYOJPPY-UHFFFAOYSA-N 290.794 3.534 30 20 CHED C#CCCCN(Cc1ccc2c(c1)CCO2)C1CCCC1 766897010 ZBZYUIZOYHZXGP-UHFFFAOYSA-N 283.415 3.780 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)OC1CCCCC1 867203869 ZGVPWXRCERHYJU-INIZCTEOSA-N 284.359 3.604 30 20 CHED CC1CC(C#N)(C(=O)OCCCc2ccc(Cl)cc2)C1 767428182 VSDLMJJCQWDSOO-UHFFFAOYSA-N 291.778 3.756 30 20 CHED Cc1cc(CN[C@H](C)c2cccc(C#N)c2)cnc1Cl 760682430 FWKRIJJOLYPNOH-GFCCVEGCSA-N 285.778 3.766 30 20 CHED CCC(CC)(CC)C(=O)OCc1cc(C#N)ccc1F 760589303 RFLBBMKQBWNMLJ-UHFFFAOYSA-N 277.339 3.957 30 20 CHED N#CC1(OC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)CCC1 762095126 PAXDLBNXBIIITL-IAGOWNOFSA-N 291.350 3.933 30 20 CHED CC(C)(C)C(=O)OCc1ccccc1C(C)(C)C#N 768004328 FMPJYKRZKFVXPO-UHFFFAOYSA-N 259.349 3.577 30 20 CHED N#Cc1ccc(NC(=O)c2scnc2Cl)c(Cl)c1 769736707 CZROGNIQSCYGIX-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Nc1cccnn1 764213204 WXMXWSGXKSVMER-CYBMUJFWSA-N 278.400 3.595 30 20 CHED C#CCN(Cc1c(Cl)cccc1OC(F)F)C1CC1 764683913 SLMCROVYZVVKTJ-UHFFFAOYSA-N 285.721 3.539 30 20 CHED C#CCCCCCOC(=O)Cc1c[nH]c2cc(C)ccc12 760258948 OVOPMQUDHWPXCP-UHFFFAOYSA-N 283.371 3.756 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc(O)ccc1F 872067660 RJGGWDLUCXLMCH-VOJFVSQTSA-N 296.345 3.741 30 20 CHED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1cscn1 776192030 HKGAKHWALLWXBB-ZZXKWVIFSA-N 295.310 3.683 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C 778841272 NRWBNXVUECADNR-CYBMUJFWSA-N 289.331 3.701 30 20 CHED C[C@H](OC(=O)c1cccc(F)c1C#N)c1ccc(F)cc1 778369766 JLIGGUPAIOKUDF-JTQLQIEISA-N 287.265 3.754 30 20 CHED CC(=NNC[C@H](C)C#N)c1ccc(N2CCCCCC2)cc1 771102389 FIUCCPONXJAARP-OAHLLOKOSA-N 298.434 3.540 30 20 CHED CC(C)c1ccc(C(=O)OCc2cc(C#N)ccc2F)cn1 772157407 BZRCBXGVTKSIGE-UHFFFAOYSA-N 298.317 3.573 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)c1ccc[nH]1)c1ccccc1 777762628 MHECFTHWRTXMIW-UKRRQHHQSA-N 268.360 3.552 30 20 CHED C#C[C@H](C)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 772974344 DYRMPZFPQRWBEM-ZDUSSCGKSA-N 289.806 3.581 30 20 CHED C=CC[C@@H](N[C@H](C)c1ccc(F)cn1)c1ccncc1 771392329 VXJSKHQAQOKKLY-MLGOLLRUSA-N 271.339 3.584 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NOCCC(F)(F)F)c1 777458668 DCTBVJNHGLXBHV-UHFFFAOYSA-N 297.280 3.688 30 20 CHED C=C(CN[C@@H]1CC[C@@H]2SCCS[C@H]21)c1ccccc1 775383014 SRFVTNOOAWNRBS-PMPSAXMXSA-N 291.485 3.669 30 20 CHED C=C(CC)COC(=O)c1cc(C)n(C2CCCCC2)n1 776433927 IPYWEOHZZNNBNX-UHFFFAOYSA-N 276.380 3.820 30 20 CHED CCC(=NNc1nncc2ccccc12)c1ccccc1F 778532830 CURRQTRATSEOSC-UHFFFAOYSA-N 294.333 3.995 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C)C2CCC2)cc1 773103480 IXAOPLHEWCHTBQ-ZIAGYGMSSA-N 257.377 3.538 30 20 CHED C=CCCCCNC(=O)c1cc2cc(OC)ccc2nc1C 770081482 HQZBBBGSSIRGON-UHFFFAOYSA-N 298.386 3.638 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc2ccn(CCC)c2c1 775520076 KBTORIVTOJCJEK-UHFFFAOYSA-N 283.375 3.585 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 888922771 IXLKVCMQSXMVNO-CYBMUJFWSA-N 292.448 3.890 30 20 CHED C=CCCC[C@H](NC1CCN(OC)CC1)c1ccccc1 883230857 SLBKWNNEHDHMSV-SFHVURJKSA-N 288.435 3.699 30 20 CHED C=C1CCC(C(=O)N[C@](C)(C#N)C2CCCCC2)CC1 889657062 PLBMPEWRWBAQEE-QGZVFWFLSA-N 274.408 3.712 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cc2cc(C)c(C)cc2o1 788037304 TYKLEQJUHHBGSR-CQSZACIVSA-N 287.359 3.827 30 20 CHED N#CC1(OC(=O)c2cc3cccc(Cl)c3o2)CCC1 783109747 FRYRKDYZZVPYDZ-UHFFFAOYSA-N 275.691 3.689 30 20 CHED COc1ccc(NN=C2CC[C@@H]3CCCC[C@H]3C2)nc1 780271845 YHEHSZKMJFXFNZ-STQMWFEESA-N 273.380 3.848 30 20 CHED Cc1c(Cl)cnc(N2CCC3(CCCC3)C2)c1C#N 784163417 SGDPRDDWXBUDEL-UHFFFAOYSA-N 275.783 3.686 30 20 CHED C=CCC[C@H]1CCCN1c1nc(Cl)c(C#N)s1 1120888884 PAUAQHKGUBGBFC-VIFPVBQESA-N 267.785 3.603 30 20 CHED Clc1cccc(C2CC(=NNCCc3ccccn3)C2)c1 789102808 HFBGNUISYIFHCL-UHFFFAOYSA-N 299.805 3.801 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC(F)CC2)c1 882806395 YIGLSUIHESFXQI-UHFFFAOYSA-N 272.245 3.515 30 20 CHED N#C[C@@H](C(=O)[C@H]1CCCc2ccccc21)c1cccc(F)n1 1122714312 JEANDOJFHDPXHV-LSDHHAIUSA-N 294.329 3.517 30 20 CHED COCC(=NN[C@@H](C)c1ccccc1)C1CCCC1 780212586 JGTWMRXWWWIPRY-ZDUSSCGKSA-N 260.381 3.530 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl 782228127 WIZKOYVRKZHQAG-CYBMUJFWSA-N 298.726 3.515 30 20 CHED CC1(C)CCC(=NNc2nc(-c3ccccc3)no2)C1 783840323 GRYRAYUFGWBRMU-UHFFFAOYSA-N 270.336 3.715 30 20 CHED C=CCC1(O)CCN([C@H](C)CCc2cccc(F)c2)CC1 895835978 SPUOACDNCXPCLP-OAHLLOKOSA-N 291.410 3.550 30 20 CHED CO[C@@H]1Cc2ccc(NCC(C)(C)CCC#N)cc2C1 784626583 ATRAZLYVGKWDDH-MRXNPFEDSA-N 272.392 3.542 30 20 CHED C#Cc1ccc(NCc2ccc(N(C)C(C)C)nc2)cc1 898499971 WIECRAFPITZNFG-UHFFFAOYSA-N 279.387 3.520 30 20 CHED N#Cc1c(F)cccc1N[C@@H](c1ccccn1)C1CC1 895793157 GFDDJPASAVSUAK-MRXNPFEDSA-N 267.307 3.656 30 20 CHED C=C1CCC(C(=O)NCc2ccnc(SCC)c2)CC1 890064359 XLNFYAXBFSXUTK-UHFFFAOYSA-N 290.432 3.556 30 20 CHED CN(Cc1ccccc1Cl)Cc1ccccc1C#N 42268145 KRCWEGYIOPQAQD-UHFFFAOYSA-N 270.763 3.844 30 20 CHED C=C1CC(c2noc([C@@H](C)Sc3ccccn3)n2)C1 896883728 TUJDKUGLBRDJJD-SNVBAGLBSA-N 273.361 3.752 30 20 CHED COCCN(CCC#N)[C@H]1C[C@H](C)Sc2sccc21 1204497109 LXPNKHGOFYNNOA-AAEUAGOBSA-N 296.461 3.536 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(Br)c1 393816696 JNGVVUTZZXSUAG-GFCCVEGCSA-N 282.181 3.534 30 20 CHED Cc1cccc(C=NNc2ncccc2F)c1OC(F)F 794990731 OEYVAAPTFBHPDU-UHFFFAOYSA-N 295.264 3.577 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 796871233 DXJSDEBNWNIGOZ-TTZDDIAXSA-N 263.381 3.828 30 20 CHED COC1(C=NNc2ccc(F)cc2C)CCCCC1 790172712 USXFVGHTXIXBNO-UHFFFAOYSA-N 264.344 3.881 30 20 CHED C#CCCCCN[C@H](C)c1cc(F)c(F)c(F)c1 90399037 ATCZLSXIEMKHMK-SNVBAGLBSA-N 255.283 3.558 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(OC(C)C)cc2)no1 791430816 FATQFCGQWWKDPC-RMKNXTFCSA-N 271.316 3.666 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(OCC(F)(F)F)cc2)C1 799720478 ISLBAISEQZRZDH-CMPLNLGQSA-N 284.281 3.732 30 20 CHED Cc1nc(C#N)c(NN=CCC2CCCCCC2)o1 799109555 FPISQWDBDPEIJW-UHFFFAOYSA-N 260.341 3.613 30 20 CHED COc1cccc2cc(/C=C/c3ccncc3C#N)oc12 794713209 LMZSRHPBIHYWMY-AATRIKPKSA-N 276.295 3.878 30 20 CHED C=CCSc1nnc(NC2CCCCC2)s1 57533044 INVQIFQWIVFMKM-UHFFFAOYSA-N 255.412 3.561 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1c1cccc(C)c1C 791059928 WSSPOTLRVOOTCO-AEFFLSMTSA-N 298.430 3.952 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)s2)ccc1Cl 1130481942 ISBOHKLEDOPZTJ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccc(F)cc1F 799865193 XBWBWCBZBAEHCD-JTQLQIEISA-N 268.307 3.569 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1c(C)cc(C)cc1O 799867500 KJFATOSAMXZISS-UHFFFAOYSA-N 294.358 3.721 30 20 CHED CC1(C)CCC[C@@H]1C(=O)[C@H](C#N)c1cnc2ccccc2n1 792099404 AEUZWIOFYNGCMI-CHWSQXEVSA-N 293.370 3.632 30 20 CHED C=CCC(C)(C)C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F 796463493 QPNUKWRPJXIWFL-UHFFFAOYSA-N 299.273 3.519 30 20 CHED C#CCN(C(=O)c1cc(F)ccc1Cl)C1CCCCC1 688830782 GXMVXLAJXFRILN-UHFFFAOYSA-N 293.769 3.887 30 20 CHED N#CC[C@H](CC(=O)OCC1(C#N)CCCC1)c1ccccc1 796823185 IOJMWZCIXIITQH-MRXNPFEDSA-N 296.370 3.701 30 20 CHED C#C[C@@H](NC(=O)N(CC)C(C)C)c1ccc(Cl)cc1F 796086759 LLEDGWNHLWCQEJ-CQSZACIVSA-N 296.773 3.593 30 20 CHED C#C[C@H](NC(=O)C(CC)(CC)c1ccccc1)C(C)C 799048903 XMUMLZOCKARMSM-INIZCTEOSA-N 271.404 3.518 30 20 CHED CC(CCc1ccccc1F)=NNc1ncccc1C 790190902 NHANDJURVSFWAS-UHFFFAOYSA-N 271.339 3.950 30 20 CHED COC(=O)c1csc(C(=O)/C=C/c2ccccc2F)c1 794723869 LQFCRMGKAOJYLM-VOTSOKGWSA-N 290.315 3.570 30 20 CHED CC(C)c1ccc(CCN2CCC[C@H](C#N)C2)cc1 1207520965 MZJYZWIXBOEWAE-MRXNPFEDSA-N 256.393 3.588 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCC(F)(F)C2)n1 796748254 RBYJSAUKASNCFP-UWVGGRQHSA-N 298.358 3.878 30 20 CHED CC(CC(C)(C)c1c[nH]c2ccccc12)=NN1CCOCC1 799466352 ZCSYLXJSNZFFKQ-UHFFFAOYSA-N 299.418 3.544 30 20 CHED CC(C)c1cccc(CNc2cccnc2C#N)c1 575102120 QGBRUJJZLCRFEQ-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C#CC1CCN(C(=O)C[C@H](C)CCC=C(C)C)CC1 692404580 UCZUUPHSIZYZPS-OAHLLOKOSA-N 261.409 3.631 30 20 CHED CO[C@H](CNc1nc(Cl)c(C#N)s1)C1CCCCC1 695159370 FKFVVLYYHJNBRA-SNVBAGLBSA-N 299.827 3.675 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CC1(C)C 1219031173 ZOEVBQSPSVKZDN-TZMCWYRMSA-N 289.354 3.644 30 20 CHED N#Cc1csc(CNCc2ccccc2C(F)(F)F)c1 93492574 VOQXGTXPALDHLG-UHFFFAOYSA-N 296.317 3.928 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1cc(F)cc(F)c1 94826978 HFBDNXVNQDQWLI-LLVKDONJSA-N 272.298 3.687 30 20 CHED C[C@H]1CCCC[C@@H]1OCCN1CCc2ccc(C#N)cc21 1168924244 ACTBKBRKAARLPP-KSSFIOAISA-N 284.403 3.516 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccnc(C#N)c2)C1 1162626350 QZZLYCUSRWXVBF-SJCJKPOMSA-N 281.334 3.680 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCC(C)(C)C2)c1 1310872049 MDIOFOPBEZYSNG-AWEZNQCLSA-N 285.391 3.957 30 20 CHED CCc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1 1658544011 WKGOLZYTTXZGHR-MRXNPFEDSA-N 256.393 3.763 30 20 CHED N#Cc1ccc(COC(=O)c2cc3ccccc3s2)nc1 1320915751 KYIZLGZQFPGTDW-UHFFFAOYSA-N 294.335 3.525 30 20 CHED CCCCCCCNC(=O)Nc1ccc([S@@](C)=O)cc1 1329965527 JSWXPHDGXVZYAZ-HXUWFJFHSA-N 296.436 3.516 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cc2cccc(OCC)c2o1 1321241793 RPGUZXPWQGJROM-GXTWGEPZSA-N 289.375 3.683 30 20 CHED N#Cc1cccc(CN2CC[C@H]2c2ccc(F)cc2)c1 1647430491 RQADNVNSWXSJHS-KRWDZBQOSA-N 266.319 3.644 30 20 CHED C#C[C@H](NC(=O)N[C@@H](C)c1cc(C)oc1C)c1ccccc1 1326007842 YBIJGRDOQFLALD-GUYCJALGSA-N 296.370 3.631 30 20 CHED Cc1ccc(CCNC2CC(C#N)(c3ccccc3)C2)cc1 1321633380 CKUIXBWUHHAPNI-UHFFFAOYSA-N 290.410 3.751 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)nc1 1323393806 PJGWKWGWOUBMJX-BHYGNILZSA-N 298.386 3.603 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1c[nH]c2ccccc12 1337376700 LKVYGRXZOPBMAO-CLFYSBASSA-N 293.322 3.778 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1336496115 JYTFOURWKUXEGY-HIFRSBDPSA-N 289.423 3.560 30 20 CHED N#C[C@@H](OC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C1CC1 1263377251 VJQNPAZFLUPXGL-MAWXDTMDSA-N 296.153 3.852 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NC1CCC(F)(F)CC1 1348724816 AOPVJZAKXNFMBV-ZDUSSCGKSA-N 286.366 3.705 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(c2cc(C#N)cc(Cl)n2)C1 1348084292 NSQBUDZTIDOUDP-BXUZGUMPSA-N 298.777 3.589 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(F)c2occc12 1348048257 QMQCITRWKXSQMN-UHFFFAOYSA-N 280.258 3.696 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)s1 1275984361 XBNVMLMMUUBJEJ-CHWSQXEVSA-N 290.432 3.956 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2cccc(F)n2)c(C)n1C(C)C 1357579904 DTAGHVQELFOEFO-AWEZNQCLSA-N 299.349 3.710 30 20 CHED C[C@@H]1CC[C@H](NC(=O)[C@H](CC#N)c2ccccc2)[C@H](C)C1 1353600791 MVPZZDPWALOUSW-SRABZTEZSA-N 284.403 3.625 30 20 CHED C=C(CC)C(=O)Nc1cccc(NCC(F)(F)F)c1 1528375115 VYTLDIFTCABTMH-UHFFFAOYSA-N 272.270 3.566 30 20 CHED CCc1cc(N[C@H](C)c2ccc(C#N)cc2)nc(CC)n1 1458131664 JNAATEIAGMSKPY-GFCCVEGCSA-N 280.375 3.646 30 20 CHED Cc1ccc(CSc2ccccc2C#N)cc1C(=O)O 1600422592 NUDZLLTXKBQSTC-UHFFFAOYSA-N 283.352 3.857 30 20 CHED CCC(CC)CNN=C1CCC[C@@H](CCCC(=O)O)C1 1609917270 XCHNDEPNBUFSIQ-AWEZNQCLSA-N 282.428 3.813 30 20 CHED O=C(O)c1cc(NN=C2CCC[C@@H]2CCCF)ccc1F 1602286958 WFCUYPLRYOSVQY-SNVBAGLBSA-N 296.317 3.842 30 20 CHED N#Cc1nnc2ccccc2c1NC[C@H]1CCC[C@H]1C1CC1 1472806591 XONFFMLWESFSRJ-KGLIPLIRSA-N 292.386 3.740 30 20 CHED CC1(C)CCC[C@H](CNC(=O)Nc2cccc(C#N)c2)C1 1622820594 WIHNTIZLDXXGRY-AWEZNQCLSA-N 285.391 3.896 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1N=c1cc[nH]c(C#N)c1 1642545144 GTFFCQBGBOHSOF-FZKQIMNGSA-N 277.371 3.501 30 20 CHED C=C(Br)CNC(C)(C)c1ccc(F)cc1F 1644524213 PZGVWQPPVKDCJS-UHFFFAOYSA-N 290.151 3.698 30 20 CHED CN(CCN(C)c1ccccc1)CCC1(C#N)CCCCC1 1641727967 SOCDPZIUJWYEKA-UHFFFAOYSA-N 299.462 3.919 30 20 CHED N#Cc1ccnc(CN2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)c1 1652419617 AAIFOIHZVOLFGV-PCODUJHASA-N 295.430 3.744 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CC2(CC#N)CC2)C12CCCCC2 1652614841 SBWLPGWJFUBHDW-HZPDHXFCSA-N 290.451 3.740 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCc2c(C#N)cccc21 1585528893 NTZMZTJDACLAJG-CQSZACIVSA-N 284.403 3.910 30 20 CHED CC1(C)C(=NNc2ccc(CC(=O)O)cc2)[C@@H]2CCC[C@@H]21 1593816439 YRZOOGUDHJXJME-KGLIPLIRSA-N 286.375 3.538 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N(C)CC1CC1 1760375115 FPZOJJSKHBOCHS-UHFFFAOYSA-N 294.830 3.534 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCC2(C)C)c1 1672281829 LDUJROUNKRTEJK-CQSZACIVSA-N 271.364 3.567 30 20 CHED CCC(F)(F)C(C)(C)C=NNc1ccc(CC(=O)O)cc1 1776085339 FUSWKEXRUCDFRT-UHFFFAOYSA-N 298.333 3.783 30 20 CHED CCC(=NNc1ccc(C(=O)O)nc1)c1cc(C)ccc1C 1776071917 ZFZYOBUKDVGJOM-UHFFFAOYSA-N 297.358 3.623 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@@H](C)c2cccc(F)c2)C1 1776153531 IJOJFYVTSQLRQR-SUMWQHHRSA-N 291.366 3.630 30 20 CHED CC(CCCCCCC(=O)O)=NNCc1ccccc1F 1776060066 AZXGTGJGQWUACT-UHFFFAOYSA-N 294.370 3.716 30 20 CHED C=CCN(Cc1ccc(C)cc1)[C@@H]1CC[C@H](CC(=O)O)C1 1776180101 CBHDMTAXCVWBBL-DLBZAZTESA-N 287.403 3.626 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(CCc2ccccc2)n1 161884281 NVRWRQNRLVSEEL-AWEZNQCLSA-N 299.443 3.662 30 20 CHED CCN(Cc1ccc(C#N)c(OC)c1)C1CCCCC1 233463203 ROGJCXGPGKXACI-UHFFFAOYSA-N 272.392 3.721 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(F)cc2Cl)c(F)c1 158138808 LVMIKXKDKNSRKA-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C=CCC(CC=C)C(=O)N(C)CCc1cccs1 151009689 GXHDDPOHZULXQY-UHFFFAOYSA-N 263.406 3.517 30 20 CHED CCCCN(CC)C(=O)N[C@H](CCC#N)c1ccccc1 151472290 QBJYGGIWKHFBRI-MRXNPFEDSA-N 287.407 3.863 30 20 CHED CC(=O)c1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 153529282 NSVXJDQKVCZTFF-UHFFFAOYSA-N 298.729 3.667 30 20 CHED CC#CCCSc1nnc(-c2sccc2C)o1 155293940 YBNUKWPXQLYVRB-UHFFFAOYSA-N 264.375 3.612 30 20 CHED C=C(C)CNC(=O)Nc1cccc(C2SCCS2)c1 156261220 YBPYPSYDGHCWON-UHFFFAOYSA-N 294.445 3.863 30 20 CHED N#Cc1ccc(CNCc2cc(Cl)ccc2F)cc1 125209154 FLOFDKVXQFMHIY-UHFFFAOYSA-N 274.726 3.641 30 20 CHED COc1cc(CN[C@H]2CCC[C@H](C)CC2)ccc1C#N 234955161 JVHRMWJBORZPIS-BBRMVZONSA-N 272.392 3.625 30 20 CHED C#Cc1ccc(CN[C@@H]2Cc3ccc(Cl)cc3C2)cc1 809662068 ZHVCOKFGTIGNSG-GOSISDBHSA-N 281.786 3.578 30 20 CHED CC[C@@H](CC#N)NCc1ccc(F)cc1C(F)(F)F 129448255 KRZQHJQTCXSPDR-NSHDSACASA-N 274.261 3.626 30 20 CHED CCCCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 37131402 GINTXQDXXLUSPA-NSHDSACASA-N 261.325 3.847 30 20 CHED CC[C@](C)(C#N)NC(=O)c1sc2cccc(F)c2c1C 162078974 LIVFLOFAWLEQSY-OAHLLOKOSA-N 290.363 3.771 30 20 CHED Cc1ccc(C#N)c(NCc2ccc(C(C)C)cc2)n1 45046134 KKQMWUQKUSMSMT-UHFFFAOYSA-N 265.360 3.997 30 20 CHED C#CCCCCN[C@@H](C)c1ccc2ccccc2c1O 186104017 RQVSYYDJMGWSGE-AWEZNQCLSA-N 267.372 4.000 30 20 CHED C=CCSCCNc1c(Cl)cccc1C#N 301374164 QTDNKRFGCLLUSK-UHFFFAOYSA-N 252.770 3.543 30 20 CHED C=CCC(C)(C)CNCc1ccnc2ccccc12 312035315 OUELCHOQYCBWMD-UHFFFAOYSA-N 254.377 3.927 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1ccc(Br)c(C#N)c1 410964669 AOTLIPFRIHXWMB-SECBINFHSA-N 295.180 3.551 30 20 CHED CCC(CC)(CNc1nc(C)c(C#N)cc1Cl)OC 336817693 RKQOEUFCCUWUFM-UHFFFAOYSA-N 281.787 3.532 30 20 CHED C[C@H](Cc1cccs1)Nc1ncc(C#N)cc1Cl 339137008 OZRNMTQLVGBKIH-SECBINFHSA-N 277.780 3.711 30 20 CHED CC(F)(F)CCSc1nc2c(cc1C#N)CCCC2 450750390 ATQHJWVQXDOUMA-UHFFFAOYSA-N 282.359 3.969 30 20 CHED CC[C@H](CN[C@H](C)c1ccc(C#N)cc1)CC(F)F 595413849 XXARJWXWWRXBDX-NEPJUHHUSA-N 266.335 3.890 30 20 CHED FC(F)(F)c1cc(C=NOCc2ccccc2)c[nH]1 807962037 PJBCOOBMANBURD-UHFFFAOYSA-N 268.238 3.584 30 20 CHED CC[C@@H](Nc1ccc(C#N)nc1)c1ccccc1OC 750015400 YMUOUQDVIXFARO-OAHLLOKOSA-N 267.332 3.525 30 20 CHED CC(=NOCc1ccccc1)c1cc(C)ccc1O 839419524 GUBICPFZPFOZMK-UHFFFAOYSA-N 255.317 3.641 30 20 CHED N#C[C@H](NC(=O)c1cccc(C(F)F)c1)C1CCCCC1 176643925 ZRFOOBIVUHNQFA-AWEZNQCLSA-N 292.329 3.826 30 20 CHED C[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccccc1F 51534336 PFVKPEWNEWFONK-GFCCVEGCSA-N 283.302 3.810 30 20 CHED C[C@H](C#N)CN(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 109476554 UYUFDGWSYXTMNF-PNJGHZNZSA-N 288.435 3.601 30 20 CHED C[C@H](CC(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 176570286 LREWJRWQHJMFGA-PBHICJAKSA-N 284.403 3.769 30 20 CHED C=CC[C@H](C)NCc1ccccc1OCc1cccnc1 116926366 ZAXLUQIYSSTOLX-HNNXBMFYSA-N 282.387 3.715 30 20 CHED CCCCOc1ccccc1NC(=O)c1ccc(C#N)cc1 56028467 DBLYORTWOLCPCS-UHFFFAOYSA-N 294.354 3.989 30 20 CHED N#CCCOc1cc(F)c(Br)cc1Cl 306452205 MQLBMRYZLIKXAN-UHFFFAOYSA-N 278.508 3.534 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CCCCCC2)C1 116803518 MOBKVMJYQAUCNW-CZUORRHYSA-N 262.397 3.545 30 20 CHED Cc1ccc(NC(=O)c2cccc(SCC#N)c2)c(C)n1 119300181 WVVSOLRFUFYEPY-UHFFFAOYSA-N 297.383 3.566 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)CC2CCC2)c1 111749709 GERKFAXSPDEWPD-UHFFFAOYSA-N 288.391 3.905 30 20 CHED C=C(C)COC(=O)c1cnc(-c2ccccc2F)s1 63236317 MFTHKUUXWUGWFA-UHFFFAOYSA-N 277.320 3.682 30 20 CHED C[C@H]1CC(NC(=O)Nc2ccc(CC#N)cc2)C[C@H](C)C1 172431284 GRJIONYFGNCCRD-CHWSQXEVSA-N 285.391 3.699 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(OCC#N)cc2)o1 69752917 FRUYHFKGXVWNGP-GUYCJALGSA-N 296.370 3.595 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2cccc(C#N)c2F)C1 352892967 LTYRZGFJSQTNGX-GJZGRUSLSA-N 292.423 3.803 30 20 CHED C=CCCC(=O)Nc1sc(C)nc1CC(C)C 127642812 KTUPWODWNODOOB-UHFFFAOYSA-N 252.383 3.555 30 20 CHED C=CCCC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 78184852 ILQNZRZBSSYYKV-LSDHHAIUSA-N 257.377 3.666 30 20 CHED CCN(Cc1cncs1)[C@H](C)c1ccc(C#N)cc1 119852791 KZUUHQZVWWWFEE-GFCCVEGCSA-N 271.389 3.598 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(C)s1 129129390 PCEORYFSVZMHIQ-KGLIPLIRSA-N 265.422 3.521 30 20 CHED C[C@H](NCC#N)c1ccc(Oc2ccccc2)cc1 181808477 WUNUCHGTIGSSFB-ZDUSSCGKSA-N 252.317 3.653 30 20 CHED CCc1nc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cs1 181738762 FENXFOUFXFFMBC-NWDGAFQWSA-N 285.416 3.989 30 20 CHED C#CCCCCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 120123003 FTZIMQUMTGWLRJ-QGZVFWFLSA-N 296.414 3.859 30 20 CHED C=CCC[C@H](N[C@@H](C)c1nccn1C)c1ccccc1 183362955 MYIUVLZWUPYLRN-HOCLYGCPSA-N 269.392 3.778 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(OCC2CC2)c(F)c1 181582039 RCTUZBGOTFPSCY-CYBMUJFWSA-N 290.382 3.959 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1cc(C)oc1C 127224858 XZRNBNFSHYZEMG-GFCCVEGCSA-N 261.365 3.842 30 20 CHED C=CCC[C@H](O)CN[C@]1(c2cccc(C)c2)C[C@@H]1CC 502592609 GNQUVODDTRHSCV-RYQLBKOJSA-N 273.420 3.537 30 20 CHED C=CCC(CC=C)c1nc(-c2cccc(OC)c2)no1 124695797 WTYRQXBDTHWTJT-UHFFFAOYSA-N 270.332 3.981 30 20 CHED Cc1cc(Cl)ncc1NCc1ccc(C#N)cc1 186050917 ZTEUJHCXDNXWEG-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC[C@@H](C#N)N[C@@H](Cc1ccccc1)c1cccs1 122241863 KMVLWNBKWGZOTH-GJZGRUSLSA-N 270.401 3.924 30 20 CHED N#Cc1cc(Cl)ccc1COc1ccccc1C#N 185240648 ZNHARTZYSPLKTM-UHFFFAOYSA-N 268.703 3.662 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C)CC=C)c1ccccc1 189651713 GAGVCWNKKOCKSO-ZBFHGGJFSA-N 257.377 3.817 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c(F)cc(Cl)cc1F 180355986 WOCVONURMDFWDZ-QMMMGPOBSA-N 289.709 3.538 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 188060475 CYVCTECTZDMHEH-BLLLJJGKSA-N 272.348 3.518 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(OCCCOC)c1 188495323 ZIIFUZKPWMUTAZ-KRWDZBQOSA-N 291.391 3.643 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 125715642 WDPRABUTWDIZAC-UHFFFAOYSA-N 283.158 3.872 30 20 CHED Cc1ccc(CNc2cccc(C#N)c2C)cc1[N+](=O)[O-] 500781090 XIRUGJGTGCCOGE-UHFFFAOYSA-N 281.315 3.695 30 20 CHED CC(C)c1cccc2c1OCC/C(=C\c1ccnn1C)C2=O 129137962 ZSIDQRICRWFJMK-ACCUITESSA-N 296.370 3.592 30 20 CHED C=CCC[C@H](C)Nc1cccc([C@H](C)C(=O)OC)c1 414483820 GBIWEBQEWNNXOS-STQMWFEESA-N 261.365 3.730 30 20 CHED C=CCOc1ccc(CNCc2ccc(COC)cc2)cc1 126270184 MSJLNQVGYGXDBV-UHFFFAOYSA-N 297.398 3.688 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(C#N)cc1 122885525 VGAKMDROCLBTMB-AWEZNQCLSA-N 275.355 3.623 30 20 CHED C=CC[C@H](CC)N[C@@H](C(=O)OCC)c1cccc(Cl)c1 500779739 JZJMSLZPZXDULE-LSDHHAIUSA-N 295.810 3.889 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC[C@H]2CCCO2)cc1 120552743 XVGNPEQGICIZRZ-GOSISDBHSA-N 289.419 3.642 30 20 CHED C=CCn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1C(C)(C)C 508839440 FNIPCLHYJQAVPA-ZDUSSCGKSA-N 290.455 3.634 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@H](C)CC(F)(F)F 413444507 WBDSGDLMEGIFDJ-MNOVXSKESA-N 280.334 3.619 30 20 CHED C[C@H](SCCC#N)C(=O)Nc1ccc(C(C)(C)C)cc1 413011910 KFLMQANXAAQLLB-LBPRGKRZSA-N 290.432 3.958 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc2sccc2c1 410825049 FEZSSPQBRWPGQO-ZDUSSCGKSA-N 272.373 3.666 30 20 CHED Cc1ccc(Br)c(CN[C@@H]2CC[C@H](C#N)C2)c1 414271712 XFHYBXLNPJDVHN-WCQYABFASA-N 293.208 3.539 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@]1(C#N)CCc2ccccc2C1 183999093 ZODHTTOELYFDOW-HNAYVOBHSA-N 298.430 3.626 30 20 CHED CC(C)N(Cc1cccs1)C(=O)Cc1ccc(C#N)cc1 70158775 PGNLCWIYKKTRKC-UHFFFAOYSA-N 298.411 3.599 30 20 CHED C=CCCC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 73533721 YDKYQFDWVHOXHD-VIFPVBQESA-N 278.739 3.787 30 20 CHED N#Cc1cccc(CCN[C@H]2CCc3ccc(F)cc32)c1 503593519 ZPUIIHQWLMJNMV-SFHVURJKSA-N 280.346 3.517 30 20 CHED CC(C)c1nc([C@@H](C)NCCCCC#N)cs1 184726179 VPZOYXRWJXBPEN-LLVKDONJSA-N 251.399 3.611 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)Cc1ccc2ccccc2c1 502452079 WEWFDGOHVFSSKH-IBGZPJMESA-N 294.398 3.827 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 185908005 GWMGRFGXHKOYOJ-WMLDXEAASA-N 296.414 3.876 30 20 CHED COc1cnccc1[C@H](C)/N=C(/O)[C@H]1CC12CCCC2 329962759 PKTUUOSJMXTOOG-WCQYABFASA-N 274.364 3.688 30 20 CHED C=C(C)CCc1noc(-c2cccc(SCC#N)c2)n1 508600392 QGXKTUUJHYWAJD-UHFFFAOYSA-N 285.372 3.861 30 20 CHED C=C(C)CCc1noc(COc2ccc(CC)cc2)n1 508660949 IJALPJDSIGKHJS-UHFFFAOYSA-N 272.348 3.720 30 20 CHED CS[C@H]1CCCCN([C@H](C)c2ccc(C#N)cc2)C1 134549828 WQKMNVKWBGKVNX-CJNGLKHVSA-N 274.433 3.837 30 20 CHED C=CCN(C(=O)c1cc(C)n(C(C)(C)C)n1)c1ccccc1 193794712 MUMDEQRACZVTMU-UHFFFAOYSA-N 297.402 3.779 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@H](C)OCCCC 195697201 PHEPZSSIOIVUKB-ZDUSSCGKSA-N 292.375 3.534 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc(-c2ccccc2F)o1 80386230 VNDUFEGINIVCAK-HNNXBMFYSA-N 287.290 3.791 30 20 CHED C[C@@]1(Cc2ccc(F)cc2)CCCN1CCCC#N 420931390 UARATQXQTIBTQL-INIZCTEOSA-N 260.356 3.526 30 20 CHED C=CCc1ccc(OC(=O)Cc2ccsc2)c(OC)c1 192872732 QPTYNOVNLADLOX-UHFFFAOYSA-N 288.368 3.633 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(OC)cc2)no1 191166887 XMGJZPVWGVBBAE-MRXNPFEDSA-N 272.348 3.523 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cccc(C#N)c1 289570613 RTNTWXZVQWIMFS-GFCCVEGCSA-N 259.353 3.601 30 20 CHED C=CCOCCCC(=O)N[C@@H](c1ccccc1C)C1CC1 80235529 OAEXYWGIOPSOKG-GOSISDBHSA-N 287.403 3.545 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 424832697 SCNISOPEOBPKBQ-IBGZPJMESA-N 299.414 3.585 30 20 CHED CCn1c(-c2cccc(OC)c2)nc2cc(C#N)ccc21 86635773 AZRYLEPHBXNOJP-UHFFFAOYSA-N 277.327 3.603 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 137559617 PNSKANNULUQACB-UHFFFAOYSA-N 286.327 3.609 30 20 CHED C[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 135094097 CVYWGTNMTXCQOP-AWEZNQCLSA-N 256.393 3.720 30 20 CHED C=CCC(C)(C)c1nc(-c2cccc(COC)c2)no1 426445240 LHEBLOJIXZLCGB-UHFFFAOYSA-N 272.348 3.737 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(Cl)cc2)n1 41520434 APEAJXJFJYXAMB-LLVKDONJSA-N 276.748 3.595 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2oc3ccccc3c2C)n1 41521678 BPCRIVYUXCXURL-GFCCVEGCSA-N 296.351 3.996 30 20 CHED C=CCCCCCSCC(=O)NCc1cccs1 192549276 LQDUNENIXXSDGX-UHFFFAOYSA-N 283.462 3.844 30 20 CHED CC[C@H]1CCCN(C(=O)c2cccc(C#N)c2C)CC1 337870062 QLXFBKVWCRRRKM-AWEZNQCLSA-N 270.376 3.519 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@H]1CCCS1 87475512 PFMLGLXQCPLSEA-LLVKDONJSA-N 252.770 3.519 30 20 CHED C=CCC1(C(=O)N[C@H](C)C(F)(F)F)CCCCC1 424949566 BYAPHMMQJVGZRG-SNVBAGLBSA-N 263.303 3.580 30 20 CHED CCCC(=O)Nc1sc2c(c1C#N)-c1ccccc1OC2 334807446 SABREMRIUMDIOG-UHFFFAOYSA-N 298.367 3.918 30 20 CHED N#Cc1ccccc1CN1CCSC2(CCCCC2)C1 531426449 CRBQPGQTWZNPDM-UHFFFAOYSA-N 286.444 3.810 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CC=CCC1 335192155 KTWQMMGDZVGBFV-NSHDSACASA-N 274.751 3.701 30 20 CHED N#CC1(CN2CCC(c3ccnc4ccccc34)CC2)CC1 518560258 WMLZZLNEHIOXPG-UHFFFAOYSA-N 291.398 3.718 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)NCCCCC#N 91319678 QLPPVNILPMNQQR-GFCCVEGCSA-N 250.773 3.554 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)[nH]1 427184190 YKBFUNJRHNEFSL-UHFFFAOYSA-N 298.104 3.585 30 20 CHED CCOc1cc(C#N)ccc1OC[C@H](OC)c1ccccc1 338411478 UMMWPUXEOYXMCS-SFHVURJKSA-N 297.354 3.723 30 20 CHED CC1(C)CCCC[C@@H]1N/C(O)=N/[C@H]1CCOC2(CCC2)C1 330207293 FXHGLJGOCUJVGC-KBPBESRZSA-N 294.439 3.561 30 20 CHED C[C@@]1(Cc2ccc(F)cc2)CCCN1CC1(C#N)CC1 420934014 WQZPWWTYNOZHSH-INIZCTEOSA-N 272.367 3.526 30 20 CHED N#Cc1cccc(N[C@H]2CCSc3c(F)cccc32)n1 339218665 ZZACXPIXPNFLJU-ZDUSSCGKSA-N 285.347 3.741 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(F)cc2)c(C(C)(C)C)n1 93901705 OVHGVMURYWTEEH-JXMROGBWSA-N 286.350 3.753 30 20 CHED CC(C)c1[nH]ccc1/C(O)=N/CCC[C@@H]1CCCCO1 330608924 RDVFFDUISKVARO-ZDUSSCGKSA-N 278.396 3.792 30 20 CHED CC#CCn1c2c(c(=O)c3ccc(Cl)cc31)CCCC2 421188370 JZOQGRHNQQBTCO-UHFFFAOYSA-N 285.774 3.557 30 20 CHED O/C(=N/[C@@H]1CCCc2c[nH]nc21)[C@H]1CSc2ccccc21 330127722 NAGOLIFANJWAPU-QWHCGFSZSA-N 299.399 3.633 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@H](CC)CSC)c1ccccc1 91149560 ZPURAEXKHVXJEG-GOEBONIOSA-N 291.460 3.946 30 20 CHED C[C@H]1CCC[C@H](C)C1NCc1ccc(N(C)CCC#N)cc1 237592199 ZHTOFBVCRYADGO-HOTGVXAUSA-N 299.462 3.951 30 20 CHED Cc1nc(-c2nc([C@H]3CCCC(C)(C)C3)no2)ccc1C#N 339514728 OYCOGINVULUZEW-LBPRGKRZSA-N 296.374 3.996 30 20 CHED CN(CCCc1ccc(Cl)cc1)CC(C)(C)C#N 433299835 ROMVGIVPEFOYCW-UHFFFAOYSA-N 264.800 3.754 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 436404815 ABURQQCBDPFDEW-QIJZBDPFSA-N 272.367 3.744 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C)(C)[C@H]1C(C)C 332486789 WTKZNLFTFOZSFH-OAHLLOKOSA-N 285.391 3.765 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1cccc(C#N)c1 97473052 WQDFHRICDRUKGU-VXGBXAGGSA-N 271.364 3.504 30 20 CHED C=CCC[C@@H](N[C@H](C)c1cnccn1)c1ccccc1 90580877 LRJVXZYVUZBLDX-GDBMZVCRSA-N 267.376 3.835 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1Cc2c(Cl)cccc21 529200958 VNJYORUFODQODY-SMDDNHRTSA-N 275.779 3.547 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C 248167211 PCAHSGQQAVDFGF-BBRMVZONSA-N 293.382 3.620 30 20 CHED CCC(C#N)(CC)c1nc(Cc2cc(C)cc(C)c2)no1 528092489 ASSFYXHCQBYCOA-UHFFFAOYSA-N 283.375 3.859 30 20 CHED CCCC[C@H](CCC)NC(=O)c1cc(C#N)oc1C 436207690 YAHDSEMLUOKVIQ-LBPRGKRZSA-N 262.353 3.548 30 20 CHED CC[C@H]1CN(CC#Cc2cccc(Cl)c2)CCS1 437581279 WAOJVOLBPYBWSD-HNNXBMFYSA-N 279.836 3.519 30 20 CHED COc1cc(C#N)ccc1CN1CCCC[C@@H]1C(C)C 347268567 ULOJSGBYDSUCEM-MRXNPFEDSA-N 272.392 3.577 30 20 CHED COCC1(C#N)CCN([C@H](C)c2cccc(Cl)c2)CC1 341969841 CCIALFCYTOTZKQ-CYBMUJFWSA-N 292.810 3.653 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 602306442 DAFSKMCHQWBKRK-QWRGUYRKSA-N 290.329 3.506 30 20 CHED N#Cc1ccc(CN(CCc2ccc(F)cc2)C2CC2)cc1 609744634 NVCLUFICACUCED-UHFFFAOYSA-N 294.373 3.904 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(C(F)(F)F)c1 435749139 RNPJPJQFKZFOAR-UKRRQHHQSA-N 299.336 3.776 30 20 CHED C=CCn1c(S[C@H](C)C(=O)C2CC2)nc2ccccc21 344612285 CKPSEYZXQQUSDW-LLVKDONJSA-N 286.400 3.682 30 20 CHED C=C(CNCc1ccc(-n2ccnc2)cc1)c1ccccc1 340436953 JGXMHCXRYPNUEP-UHFFFAOYSA-N 289.382 3.675 30 20 CHED CCn1cc(C(=O)/C=C\c2cccc(OC(C)C)c2)cn1 255054937 URCPDSUZFOWQEC-HJWRWDBZSA-N 284.359 3.586 30 20 CHED CN(Cc1ccccc1C(F)(F)F)c1cc(C#N)ccn1 341349196 CLEXFPVKRQHSIX-UHFFFAOYSA-N 291.276 3.608 30 20 CHED Cc1ccc([C@@H]2OCCC[C@H]2NC[C@H](C)CCC#N)cc1 602572761 MMUKELZPELEIEL-NXHRZFHOSA-N 286.419 3.745 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2)o1 254965140 HLNLKKQZHVZFEK-NTMALXAHSA-N 284.311 3.661 30 20 CHED C=CCCCSc1nc2cc(Br)cnc2[nH]1 605075941 ZQIBVDQCLRPPOT-UHFFFAOYSA-N 298.209 3.779 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)CCc1ccc(C#N)cc1)C1CC1 609189838 CFGXAVPWJDZULY-LSDHHAIUSA-N 298.430 3.916 30 20 CHED CCOc1cccc(C=Nc2ccc3c(c2)COC3)c1O 255163442 MUIRDNDVYNEFEI-UHFFFAOYSA-N 283.327 3.572 30 20 CHED C[C@@H](CCC#N)CNC1(Cc2cccc(Cl)c2)CC1 602679135 CCPYJCXXZHYGBZ-ZDUSSCGKSA-N 276.811 3.945 30 20 CHED O=C(/C=C\c1cncs1)c1ccc(OC(F)F)cc1 255496919 JBZWPVZCMOSRNB-WAYWQWQTSA-N 281.283 3.641 30 20 CHED Cc1ccsc1C(=O)/C=C\c1csc([N+](=O)[O-])c1 255563798 UIXRXKHRVWCQHF-IHWYPQMZSA-N 279.342 3.922 30 20 CHED CSCC[C@@H](C)N(C)CC#Cc1cccc(Cl)c1 440607634 FQCFWZVSLNNJIA-CYBMUJFWSA-N 281.852 3.765 30 20 CHED CCOC(=O)c1sc(/C=C\c2cccc(C#N)c2)nc1C 255925148 QBDFFNQRRZKWDC-FPLPWBNLSA-N 298.367 3.670 30 20 CHED CCn1cc(CNCC(C)(C)CC#N)c(-c2ccccc2)n1 603433066 RFCKHNMAKHRSCM-UHFFFAOYSA-N 296.418 3.599 30 20 CHED CC1(C#N)CCC(NCc2ncoc2-c2ccccc2)CC1 449182100 BXPUHJZTPJVFJX-UHFFFAOYSA-N 295.386 3.904 30 20 CHED CN(CC#Cc1ccc(OC(F)(F)F)cc1)CC1CCC1 447046315 ZECRGJFHNSFZSZ-UHFFFAOYSA-N 297.320 3.669 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc2nc(C)n(C)c2c1 356168831 MDTMRISLXNBGHM-UHFFFAOYSA-N 299.418 3.700 30 20 CHED CC(C)N(CC#Cc1ccc(F)cc1)Cc1ccco1 533461259 CTSIGRRUIUVIKO-UHFFFAOYSA-N 271.335 3.681 30 20 CHED CC[C@@H](NC(=O)c1cccc(CC#N)c1)C1CCCCC1 604569821 NDAKSVGEUGIJNI-QGZVFWFLSA-N 284.403 3.841 30 20 CHED COc1cc(Cl)c(C)cc1N[C@@H]1CC[C@@H](C#N)C1 442863419 CWLOSZODURWBMI-GHMZBOCLSA-N 264.756 3.761 30 20 CHED C[C@H](OCCCNc1ccc(C#N)nc1)c1ccccc1 267385246 MKNTZKQFAZRNFK-AWEZNQCLSA-N 281.359 3.533 30 20 CHED CC(C)C[C@H]1C[C@H](Nc2ccc(F)cc2C#N)CCO1 538510348 CMTFTMHAUDBLBU-CABCVRRESA-N 276.355 3.703 30 20 CHED C=CCCCN(C)C[C@H](C)Cc1ccc(OC)cc1 534914754 DBKZNKKEDIOYGW-OAHLLOKOSA-N 261.409 3.772 30 20 CHED C[C@H](CCC#N)CN1CC[C@@H](c2cccc(F)c2)C1 602462877 DJCJMKKMDPOGTG-UKRRQHHQSA-N 260.356 3.555 30 20 CHED C=CCOCCCSCc1ncc(Cl)s1 359148127 UAVKFOMUYNHUBI-UHFFFAOYSA-N 263.815 3.622 30 20 CHED CCc1ccc2occ(C(=O)N(C)CC(C)(C)C#N)c2c1 353181567 HSCOFUXBPWUARY-UHFFFAOYSA-N 284.359 3.617 30 20 CHED C[C@@H]1CC[C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)C1 353990545 MWNQSAZHYSVLAF-HLLBOEOZSA-N 299.418 3.767 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2cc(C#N)ccc2NC2CC2)C1 355645089 QPNHMCWTWHPNRE-STQMWFEESA-N 297.402 3.897 30 20 CHED C=CCCC1(C(=O)Nc2ccc(O)cc2CC)CC1 357056892 YGKVBKGUJFABTO-UHFFFAOYSA-N 259.349 3.640 30 20 CHED C=C(CC)CSCC(=O)Nc1ccc(OC)c(Cl)c1 537993952 UUGDQYMPRMXDGW-UHFFFAOYSA-N 299.823 3.987 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1CC(F)(F)F 266400871 MDBKDQWQDHINSQ-UHFFFAOYSA-N 292.688 3.665 30 20 CHED C[C@H]1COC[C@H](c2ccccc2)N1Cc1ccc(C#N)cc1 354886403 VXJSQLLDMLZQMQ-HNAYVOBHSA-N 292.382 3.520 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Cl)cn1 611439364 ZTAPGUZBJUHFOD-KRWDZBQOSA-N 297.789 3.774 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCCc3c(O)cccc32)CC1 357062102 VTWGJMRFUSUFCQ-OAHLLOKOSA-N 285.387 3.632 30 20 CHED Cc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 610317768 RNSYDEBWXXCEKT-LBPRGKRZSA-N 297.333 3.889 30 20 CHED CC[C@H](CC(=O)N[C@H](C)c1cccc(C#N)c1)C(C)C 610360556 ZETOHAAFSZVUEI-UKRRQHHQSA-N 272.392 3.808 30 20 CHED C=CC(C)(C)CN[C@@H](C)CC(=O)Nc1cccc(C)c1C 449487371 YLJCCMVKHJOQIL-AWEZNQCLSA-N 288.435 3.822 30 20 CHED Cc1ccc(CN(Cc2cc(C#N)cs2)C2CC2)o1 611254279 NWJPRYQARPCKQB-UHFFFAOYSA-N 272.373 3.686 30 20 CHED CC(C)[C@@H](CNCc1ccc(C#N)cc1F)c1cccnc1 269414062 JUFZWWRXFPETEI-QGZVFWFLSA-N 297.377 3.622 30 20 CHED N#Cc1ccccc1SCCCCCn1cccn1 357491073 VOZDBRXRSQDQPL-UHFFFAOYSA-N 271.389 3.717 30 20 CHED CC(C)(C#N)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 615136363 MGGYZLGNSASCKO-JKSUJKDBSA-N 256.393 3.537 30 20 CHED Cc1cccnc1[C@H]1CCC[C@@H](NCC(C)(C)C#N)C1 619612235 KLRGNSVIICMJKV-LSDHHAIUSA-N 271.408 3.556 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C(C)(F)F)nc1 450428253 VTJLEONKMOOPGX-NSHDSACASA-N 282.334 3.668 30 20 CHED CCCN(CC(F)(F)F)CC(C)(C)CCC#N 611260726 KXDMAUNSODINPD-UHFFFAOYSA-N 250.308 3.591 30 20 CHED C[C@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 266860656 JOAFBUBAYNGTIA-KXBFYZLASA-N 292.382 3.782 30 20 CHED CC(C)(C#N)CCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 363468738 MHYIJVZUGHCXGN-SJORKVTESA-N 286.419 3.514 30 20 CHED C[C@H](NCc1nc2c(s1)CCCC2)c1cccc(C#N)c1 611449484 KRJYUHHBVVLPAO-LBPRGKRZSA-N 297.427 3.744 30 20 CHED CC(C)C[C@H]1CCCCCN1C(=O)NCC(C)(C)CC#N 459261600 SAKNKUYOIRITFK-OAHLLOKOSA-N 293.455 3.927 30 20 CHED CC(C)[C@H](C(=O)Nc1cccc(CC#N)c1)c1cccnc1 456744172 GLXGXMNNXNPLFD-KRWDZBQOSA-N 293.370 3.526 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C[C@@H](CC#N)c1ccccc1 361840845 YRXBTRNSKMFPCF-CRAIPNDOSA-N 297.402 3.519 30 20 CHED CN(CCCSCC#N)[C@H]1CCC[C@H]1c1ccccc1 459681870 YDAKORHNTKWZKP-IRXDYDNUSA-N 288.460 3.901 30 20 CHED Cc1c(C#N)c(N2CCSC[C@@H](C)C2)nc2ccccc12 450482558 XQRHVDLNOVUILP-LBPRGKRZSA-N 297.427 3.604 30 20 CHED N#Cc1ccc(SCC2CC(F)(F)C2)c(F)c1 450847873 QFJOMPVIVPFYLW-UHFFFAOYSA-N 257.280 3.835 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 279995884 CWKKZXJRUVAQSU-YOEHRIQHSA-N 296.414 3.892 30 20 CHED CCCN(CCC)C(=O)Nc1cc(C)cc(C#N)c1 456008341 RZLDHHDTGUIZEQ-UHFFFAOYSA-N 259.353 3.521 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 276438384 SLPIIDIPMDBPET-INIZCTEOSA-N 272.392 3.664 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 450174813 UQTIKPXPTWWONM-CQSZACIVSA-N 257.377 3.737 30 20 CHED CC(C)N(C)CCCN[C@H]1CCCCc2cc(C#N)ccc21 360831514 FLAYOCDLTRVRNI-IBGZPJMESA-N 299.462 3.646 30 20 CHED C=CCCC1(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)CC1 456355819 XCVMVXJCOZYFOI-GJZGRUSLSA-N 263.425 3.872 30 20 CHED C=CC[C@@H](CO)CN[C@H](Cc1ccccc1)c1ccccc1 540397303 UTNDVHKVVJZZGY-UYAOXDASSA-N 295.426 3.745 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)c(F)c2)oc1C 453365086 CQXJLGLLJYNODB-LLVKDONJSA-N 272.323 3.758 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(COc2ccccc2C#N)n1 547102485 DDJQLACMDNIHLD-TZMCWYRMSA-N 297.358 3.814 30 20 CHED C=CCCCCN[C@H](C)c1ccc2c(c1)CCC(=O)N2 547431707 VZLOBAVCTZJZSP-CYBMUJFWSA-N 272.392 3.578 30 20 CHED COc1ccc(C[C@@H](C)CNc2nccc(C)c2C#N)cc1 541277313 GZKVVMOUNOXUDC-CYBMUJFWSA-N 295.386 3.561 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N1C[C@H]2CCC[C@@H]2C1 362561403 NROAGWSLXDYOMI-GHMZBOCLSA-N 299.324 3.621 30 20 CHED CC(C)(C#N)C(=O)Nc1ncc(C2CCCCC2)s1 272754801 BCAMIYWKAKSUJD-UHFFFAOYSA-N 277.393 3.679 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(Cl)cc1F 541763036 XWEPDLKOSRGJKK-GFCCVEGCSA-N 284.762 3.633 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(OCC2CC2)CC1 374121667 OCDICYPHVLMDKK-AWEZNQCLSA-N 284.403 3.510 30 20 CHED CC[C@@]1(C)CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 542722670 UADOVSBAOLQLPY-INIZCTEOSA-N 290.794 3.864 30 20 CHED CC[C@H](CNc1nccc(C)c1C#N)Oc1ccccc1F 542277669 SJGQRIRHZQCJQW-CYBMUJFWSA-N 299.349 3.670 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(OC(F)F)cc2F)C1 283064031 PVVNLVVYXSPFKO-NXEZZACHSA-N 284.281 3.921 30 20 CHED C=CCCCN(C)C(=O)CCc1cncc2ccccc12 462610813 DBHRVVDGJCPUSZ-UHFFFAOYSA-N 282.387 3.592 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(F)cc2C)no1 289115959 KDFRYWFXYDFXNY-ZIAGYGMSSA-N 288.322 3.633 30 20 CHED C=CCCN(C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 467298092 UCPTZTMPHKWYPO-LLVKDONJSA-N 291.782 3.959 30 20 CHED C=CCC[C@H](NCc1cccc(N(C)C)n1)c1ccco1 286227886 SRGYNFMZQSQHDS-HNNXBMFYSA-N 285.391 3.538 30 20 CHED CC(C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 280723817 KKNXRUNJDRFKOH-UHFFFAOYSA-N 272.392 3.747 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCc2ccccc21 460574961 NVBWWIUYHONIFZ-UHFFFAOYSA-N 294.402 3.816 30 20 CHED C=CCC(C)(C)CNCc1cccc(-n2cccn2)c1 559306292 DUFGVBSSUQCPNL-UHFFFAOYSA-N 269.392 3.564 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 467933970 SMKJBZQISJSGKY-DFGCRIRUSA-N 261.409 3.530 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)Oc1ccccc1Cl 556363197 TZGQXXDHSLIBQA-LBPRGKRZSA-N 295.810 3.826 30 20 CHED N#Cc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1 298264795 CMGBSDWYAUUNRF-UHFFFAOYSA-N 297.383 3.816 30 20 CHED Clc1ccc(C=NNc2nccnc2C2CCC2)s1 807993096 UAEFRZNBDQNTAV-UHFFFAOYSA-N 292.795 3.905 30 20 CHED C#C[C@@H](C)N[C@@H](C)CCc1ccc(C(F)(F)F)cc1 809682911 IGNZQCLXZXIZOI-NEPJUHHUSA-N 269.310 3.638 30 20 CHED C=CCCCCCCNC(=O)CC1CCC(OC)CC1 805219782 VXJFPWYTHFATMX-UHFFFAOYSA-N 281.440 3.834 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1F 1351610330 UIJNXLJQEPQPOC-UHFFFAOYSA-N 296.345 3.750 30 20 CHED CCCN(CCc1cccs1)[C@@H]1CC[C@H](C#N)C1 299201258 FRNIPLRPQVLRFD-UONOGXRCSA-N 262.422 3.695 30 20 CHED CC[C@H](C)n1ncc(Nc2ccc(Cl)c(C#N)n2)c1C 477696934 RJCDBHRVYPVOJI-VIFPVBQESA-N 289.770 3.826 30 20 CHED CSC1(C=NNc2ncnc(Cl)c2C(C)C)CC1 800816721 CCELKIHCBRPZJE-UHFFFAOYSA-N 284.816 3.547 30 20 CHED C[C@@H](CC(=O)N(C)[C@H](C)C#N)c1ccccc1C(F)(F)F 297934398 SKIHJWDPSKBKPZ-WDEREUQCSA-N 298.308 3.569 30 20 CHED C=CCCCN(C#N)c1ccc(F)c(Br)c1 476541714 WBARTWVIMUBHRB-UHFFFAOYSA-N 283.144 3.842 30 20 CHED Cc1nn(C)c(Cl)c1/C=C1/C(=O)c2ccccc2[C@H]1C 809159918 ZFBDPBWOJCOKQZ-TVNQGELYSA-N 286.762 3.765 30 20 CHED Cc1sccc1C(=O)N[C@](C)(C#N)CCc1ccccc1 294451561 BQBAPDDIQHPTRN-KRWDZBQOSA-N 298.411 3.701 30 20 CHED CC#CCN(C)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 647541130 ZVIALYBOHOZPKM-JTQLQIEISA-N 284.186 3.579 30 20 CHED COc1ccc2c(c1)CCC[C@H]2NCc1ccc(C#N)cc1 299441057 WVGNONGFBIHPLN-LJQANCHMSA-N 292.382 3.734 30 20 CHED C=CCC[C@H](N[C@H](CO)C[C@H](C)CC)c1ccco1 647337108 KXRBDEAGPNSQOB-ILXRZTDVSA-N 265.397 3.674 30 20 CHED C=CCCCCCCNC(=O)N[C@H](C)CC(F)(F)F 805292493 NMRQPWRTLRYPES-LLVKDONJSA-N 280.334 3.763 30 20 CHED C=CCC1(C(=O)N[C@H]2COc3ccc(C)cc32)CCCC1 560170844 IBXRPTJZVGWDQU-HNNXBMFYSA-N 285.387 3.681 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H](c2ccccc2)CC1 472678931 OMKLBHYNLGCELE-ZWKOTPCHSA-N 273.420 3.583 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 644885635 YJXAFBHNQUJDJQ-UHFFFAOYSA-N 296.414 3.963 30 20 CHED CC(C)Oc1ccc(N[C@@H]2CC[C@@H]2C2CC2)cc1C#N 809635574 IHTUNRPHFYMSJD-HZPDHXFCSA-N 270.376 3.946 30 20 CHED N#Cc1c(F)cccc1[S@](=O)CCCC1CCCC1 566489029 SGVKTZIARSIIOU-LJQANCHMSA-N 279.380 3.775 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccccc1Cl 489745766 XMZYVCQPBGDCEZ-UHFFFAOYSA-N 265.784 3.601 30 20 CHED CC(C)(C#N)CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 718004365 CLDCAOHWFQHQSS-CVEARBPZSA-N 286.419 3.510 30 20 CHED FC(F)(F)c1ccccc1NN=C[C@H]1CCCOC1 814689351 ZMMKYPGPIMISFY-SNVBAGLBSA-N 272.270 3.530 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(Cl)nc(Cl)c1 815314531 WMAXNMFHAXAGJD-UHFFFAOYSA-N 296.100 3.643 30 20 CHED COc1cccc(C(=O)/C=C/c2cccc(F)c2C#N)c1 811685578 WUMCVFHNWNRXCA-CMDGGOBGSA-N 281.286 3.602 30 20 CHED Cn1cc(/C=C/C(=O)c2cccc(Cl)c2)c(C(F)F)n1 812239747 CXNBXSSBGUWEAH-AATRIKPKSA-N 296.704 3.907 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(F)ccc(C)c1F 489854778 FKSBUZWXJOWJKD-UHFFFAOYSA-N 267.319 3.605 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(C#N)o1 814100390 UPZHWVKIGPVBGU-UHFFFAOYSA-N 296.370 3.721 30 20 CHED CC(=NNCCc1ccncc1)c1cccc(C2CC2)c1 814925061 OAURMIOFPUERHG-UHFFFAOYSA-N 279.387 3.515 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)[C@@]1(C#N)CC12CCCC2 579796747 KXLKORPUGFOZFE-APWZRJJASA-N 294.398 3.573 30 20 CHED CC#CCN(C)C(=O)c1sc(-c2ccccc2)cc1OC 571675575 FXROCLKEFHIXKS-UHFFFAOYSA-N 299.395 3.519 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@H]1c1ccccc1 810015268 WEPASLTXNAEBMO-IBGZPJMESA-N 289.378 3.574 30 20 CHED C=C(CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 815570228 WQXHNXVIZCYNAG-CYBMUJFWSA-N 297.358 3.541 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H](C)[C@H]1CCC 815715680 PWXDPUYCQUGDOC-VXGBXAGGSA-N 259.340 3.625 30 20 CHED Nc1ccc2c(c1)C(=NNCc1cccc(Cl)c1)CCC2 814867949 QRLXPDVUOOVUKN-UHFFFAOYSA-N 299.805 3.752 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1 488813708 HMGLVOSMUCBIRR-JSGCOSHPSA-N 293.794 3.674 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc2cc(C)ccc2s1 578692633 ULJOIVSSSNKPBC-LBPRGKRZSA-N 272.373 3.632 30 20 CHED C=CCCCCOC(=O)c1cnc([C@H]2CCCO2)s1 811012080 WSXMDEJTHUKPEJ-LLVKDONJSA-N 281.377 3.508 30 20 CHED Cc1cc(C)c2c(c1)CN(c1nc(C)cc(C)c1C#N)CC2 486055656 URQAJDBCLVQWTF-UHFFFAOYSA-N 291.398 3.750 30 20 CHED C#CCCCCNC/C(C)=C/c1ccccc1COC 814293161 SSGOXLMXIRXDCR-DTQAZKPQSA-N 271.404 3.629 30 20 CHED C=CCn1c(SCSC)nnc1-c1ccccc1 814714849 CWRUETMHSCAMJU-UHFFFAOYSA-N 277.418 3.544 30 20 CHED CCCCC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)C(C)C 813284323 WNVDQUYZKNCLCU-ZIAGYGMSSA-N 266.429 3.893 30 20 CHED N#Cc1cc(F)ccc1CN(C1CCCCC1)C1CC1 728569605 OTCZMJARIMPAJF-UHFFFAOYSA-N 272.367 3.994 30 20 CHED Cc1ccc(-c2nc(C=NOC/C=C\Cl)co2)cc1 811670081 NBUZSGXWRJKULL-AZACMKFLSA-N 276.723 3.753 30 20 CHED CC(=NNC1CCCC1)c1ccc(Cl)c(Cl)c1O 727651474 ACCCMRKGJRERMK-UHFFFAOYSA-N 287.190 3.955 30 20 CHED C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 575221940 IPTHVUCEOQBMGA-KUHUBIRLSA-N 276.383 3.939 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2Cl)nc1 728810564 KDCRNNFMQOHORO-GFCCVEGCSA-N 298.773 3.550 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(Cc2cc3ccccc3s2)no1 579082066 OQKBVKHZEFGSKA-QLJPJBMISA-N 295.367 3.676 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 728482156 MIZNNJBJOCXWLW-IRXDYDNUSA-N 281.399 3.869 30 20 CHED C=CCCn1cc(CN(C)Cc2ccc(C(C)C)cc2)nn1 653489983 OSUNQARIPJDFPM-UHFFFAOYSA-N 298.434 3.610 30 20 CHED CN(Cc1ccccc1NCCC#N)C1CCCCC1 579228713 YVLMHBNNEIHIDL-UHFFFAOYSA-N 271.408 3.777 30 20 CHED CCC[C@H](NC(=O)N1CCC(CC#N)CC1)C(C)(C)C 579199688 BQYINNRVHWOYCZ-AWEZNQCLSA-N 279.428 3.536 30 20 CHED CC(C)c1nsc(N(C)[C@H](C)c2cccc(C#N)c2)n1 578883589 UTKWBRHTEGDBIS-LLVKDONJSA-N 286.404 3.731 30 20 CHED C[C@]1(CCOC(=O)c2cccc(F)c2C#N)C[C@]1(F)Cl 822049524 PUNBSWJIWGKFGW-UONOGXRCSA-N 299.704 3.559 30 20 CHED N#CCc1c[nH]c2cc(-c3ccccc3C(=O)O)ccc12 583146178 OIPCGTFAPLBYLW-UHFFFAOYSA-N 276.295 3.599 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccccc1C 497541561 YMANXIMCIPOYJZ-CQSZACIVSA-N 275.417 3.676 30 20 CHED Cc1ccc(C=NNCCCc2ccccc2)c(C)c1 729145883 FWLVRGLPFMDULZ-UHFFFAOYSA-N 266.388 3.860 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C/c2cnccc2C)s1 492419750 SELGLVUYBMUMSQ-SNAWJCMRSA-N 297.383 3.538 30 20 CHED CC(C)(CCC#N)CNC(=O)C1(C)CCCCCC1 588770890 IYTPLNNTKXLVJV-UHFFFAOYSA-N 264.413 3.793 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1cccc(F)c1F 588386865 FUSLQSUOHKCXAN-FPLPWBNLSA-N 260.239 3.567 30 20 CHED CCCC[C@H](CCC)NC(=O)NCc1cccc(C#N)c1 497830814 FGYPSHGYZJQTDM-INIZCTEOSA-N 287.407 3.716 30 20 CHED CC(C)C#CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 824627441 NRWGGGWTORTPDX-MRXNPFEDSA-N 269.388 3.575 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)[C@H](C)C1CCCCC1 499992520 NQSISSQVXJBSCJ-STQMWFEESA-N 264.413 3.647 30 20 CHED N#CCN(C(=O)/C=C\C1CCCCC1)c1ccccc1 735435113 NCCLGCZPWBLFIN-QXMHVHEDSA-N 268.360 3.680 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](C)c1ccc(C)s1 836431745 JLQYLOHOHHENKH-LLVKDONJSA-N 266.410 3.629 30 20 CHED C=CC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1 668494092 VTJBWFGAQHWXJG-CYBMUJFWSA-N 287.432 3.926 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)COC3)C1 666507602 WJFBMGQJNZUBSN-ZDUSSCGKSA-N 286.375 3.537 30 20 CHED CN(CCCCC1(C#N)CCC1)c1ccc(N)cc1 903771116 OIXTXYBNNYQKAQ-UHFFFAOYSA-N 257.381 3.569 30 20 CHED Clc1ccc(C#CCN2CC[C@H](c3ccco3)C2)cc1 674250630 CVJQSAXVJIJBFR-HNNXBMFYSA-N 285.774 3.774 30 20 CHED Cc1ccccc1CON=Cc1c(Cl)nc2ccccn12 736611231 WHDXQOLZPPLMBM-UHFFFAOYSA-N 299.761 3.847 30 20 CHED CCOc1ccc(C=NN=c2cc[nH]c3ccccc23)cc1 730146392 UMUWYBYWASSCHN-UHFFFAOYSA-N 291.354 3.501 30 20 CHED C=CCN(C(=O)NCCCc1c[nH]c2ccccc12)C(C)C 730913610 YGFHFEWECXSOKJ-UHFFFAOYSA-N 299.418 3.707 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1F 830499134 UEAKSBWZALBELU-AWEZNQCLSA-N 288.366 3.738 30 20 CHED CC(C)c1cccc(CNC(=O)CCCCCC#N)c1 588164481 VOKPYHVKUURVPR-UHFFFAOYSA-N 272.392 3.900 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(F)c2F)ccc1O 730729386 HZWVPNKHAJMNNK-VMPITWQZSA-N 274.266 3.875 30 20 CHED Cc1ccc(C(=O)OCCCC#N)c(Cl)c1Cl 835264043 DKONXWIGXSHEQN-UHFFFAOYSA-N 272.131 3.762 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cc(C)n(C2CCCCC2)n1 839038069 BHEKMTHQRKLNAH-CQSZACIVSA-N 288.391 3.655 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1sc2ccc(F)cc2c1C 594088823 PDWWKLJCWCEFGK-NSHDSACASA-N 290.363 3.723 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)C(C)=C1CCC1 839220824 NWAOKYYGGVBATN-UHFFFAOYSA-N 291.734 3.626 30 20 CHED CCCCCCCC(=O)OCc1ccncc1F 836005031 WJJPGUWGDGKXBE-UHFFFAOYSA-N 253.317 3.624 30 20 CHED CC(C)CON=Cc1ccc(CSC(F)F)o1 749632452 YKULNBNOCKOROL-UHFFFAOYSA-N 263.309 3.742 30 20 CHED C#CCCCN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 840727574 LAKRODXJHWLJOR-GOEBONIOSA-N 261.796 3.979 30 20 CHED N#C[C@H](C(=O)CSc1ccc(F)cc1)c1ccccc1 917137150 UDSNVYUOMKBNAS-HNNXBMFYSA-N 285.343 3.794 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@H](C3CCCCC3)C2)c1 596467561 SOAFWOGPVBHYSZ-INIZCTEOSA-N 297.402 3.992 30 20 CHED Fc1cccc(C=NNCc2ccccc2Cl)c1 918152971 QGKHMSITJDZMBE-UHFFFAOYSA-N 262.715 3.603 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)Oc2ccccc21 742435841 DGFNCSXYFVMHTJ-ZSOIEALJSA-N 258.223 3.581 30 20 CHED N#Cc1cnccc1N1CCC[C@H](c2ccc(F)c(F)c2)C1 599117021 IPMJCGHRXHTJIA-ZDUSSCGKSA-N 299.324 3.615 30 20 CHED N#C[C@@H](C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nc(C2CC2)cs1 845613642 BDMYJKJYOPTSSJ-WVWOOGAGSA-N 298.411 3.799 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CC2CC2)cc1 916947974 CZGUJTZHWQNQIH-BLLLJJGKSA-N 298.386 3.648 30 20 CHED COc1cc(/C=C\C(=O)C2CCCCC2)cc(OC)c1 747003832 PIBLTPAQIFJYRZ-HJWRWDBZSA-N 274.360 3.866 30 20 CHED N#CCCCCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 596108171 QIXWCABKKGOGCA-UHFFFAOYSA-N 287.241 3.719 30 20 CHED CSC[C@](C)(C#N)NC(=O)C1CC(C)(C)CC(C)(C)C1 598839777 IQFCMHSGOQLHBR-INIZCTEOSA-N 296.480 3.600 30 20 CHED Cc1cncc(CON=Cc2ccccc2OC(C)C)c1 842017573 PCCOFGOADPQJHK-UHFFFAOYSA-N 284.359 3.728 30 20 CHED C=CCN(C(=O)NC[C@@H](CC)CC(F)(F)F)C(C)C 840433361 SKABDQGOKLTACW-NSHDSACASA-N 280.334 3.571 30 20 CHED N#CC1(CN2CCc3ccc(Cl)c(Cl)c3C2)CC1 595658852 XLJQJNYZHPYJTP-UHFFFAOYSA-N 281.186 3.655 30 20 CHED CCCC[C@H](C)N(C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 594034922 GLBAASCDUWMCAV-GJZGRUSLSA-N 286.419 3.774 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 593506730 AASZEQPQTVKXSF-UKRRQHHQSA-N 272.392 3.748 30 20 CHED CN(CC(C)(C)C#N)C(=O)NC1CCC(C2CCC2)CC1 596931036 LRIRDJMFTRCTKE-UHFFFAOYSA-N 291.439 3.536 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 915339836 MDGYHZHGHVEFGM-QRIFCXAISA-N 294.398 3.614 30 20 CHED CCN(C(=O)CCc1ccc(CC(C)C)cc1)[C@@H](C)C#N 598358531 PLMWLHMUEPYXKF-HNNXBMFYSA-N 286.419 3.578 30 20 CHED CCCCC[C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 749167009 QOSJMJOUJDZXQR-AWEZNQCLSA-N 299.418 3.815 30 20 CHED C[C@@H]1[C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)CCC[C@H]1C 590754253 HPSMQCRTHFKRJD-BASYENTBSA-N 288.435 3.649 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 845639155 OWFAOKYXKVIRHQ-BXUZGUMPSA-N 294.370 3.718 30 20 CHED CC(C)[C@@H](C)C(=O)OCC#Cc1ccc(Cl)cc1 749196982 ZFTYPEMOKDXLMU-GFCCVEGCSA-N 264.752 3.527 30 20 CHED Cc1cc(F)cc(Br)c1OCC1(CC#N)CC1 596277333 KFCLDNXKQRJYPG-UHFFFAOYSA-N 298.155 3.969 30 20 CHED C=C(C)CCOC(=O)[C@H](C)CCc1cccc(F)c1 744303355 WSVQFEIJBIVQOU-CYBMUJFWSA-N 264.340 3.904 30 20 CHED CCC(C#N)(CC)C(=O)NCC1(c2ccc(C)cc2C)CC1 599977108 MSDYXCHGSIAYIX-UHFFFAOYSA-N 298.430 3.781 30 20 CHED N#CCC[C@@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccccc1 593104080 ARKDKKYCJWOEJQ-CYGHRXIMSA-N 294.398 3.750 30 20 CHED C=CCC[C@@H](NC[C@]1(O)CCCc2ccccc21)C1CC1 747872123 SYKIYWSUNCTWGT-RTBURBONSA-N 285.431 3.545 30 20 CHED C[C@H](C/N=C/c1ccccc1O)Sc1ccccc1 743044896 TUHMVFUFEWDCHX-LVLBFHFTSA-N 271.385 3.992 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@@H]1CC[C@H](C)C1 748923167 XUKTYUANSWORHU-GXTWGEPZSA-N 271.360 3.736 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@H](C)c1ccco1 741521708 SDPUROXVAOABDN-GFCCVEGCSA-N 286.327 3.726 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CC#N)C1 595639755 BLDHEMDMGQCHEB-BZUAXINKSA-N 291.439 3.538 30 20 CHED CC#CCCCC(=O)Nc1ccn([C@H](C)c2ccccc2)n1 681002072 UORLCALYPJRXTB-OAHLLOKOSA-N 295.386 3.625 30 20 CHED COc1ccc(O)c(/C=N/CCc2ccccc2Cl)c1 921261575 RHCVWFXOIUQWET-WOJGMQOQSA-N 289.762 3.716 30 20 CHED CC(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)=C1CCCC1 841466031 QMERLLZKWKPUTQ-SFHVURJKSA-N 294.398 3.942 30 20 CHED CCCCCC[C@H](CC)C(=O)N1CCC[C@@H](C#N)C1 928223523 ZBNPMNXZZBKELS-GJZGRUSLSA-N 264.413 3.745 30 20 CHED CCCCCCCCNC(=O)NCc1ccc(O)c(F)c1 754866522 VMUHFEUSLKQYBU-UHFFFAOYSA-N 296.386 3.691 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc2ccccc2n1 755815408 RZUZELUEOFYMOI-INIZCTEOSA-N 270.332 3.502 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cnc3cccc(C)n23)c1 757475791 LFLKKEOXEXVQOS-VQHVLOKHSA-N 292.338 3.553 30 20 CHED CC(Cc1nc2ccccc2s1)=NO[C@H]1CCCCO1 755820363 WKWRMWHEEGTPPP-HNNXBMFYSA-N 290.388 3.758 30 20 CHED CC(=O)CCCCCCC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 754426876 MODYYLGOFUXRBQ-YOEHRIQHSA-N 292.423 3.505 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCCC[C@H]1CCC 682416506 PRQRYGZVIDBQPI-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C#CC[C@@H](OC(=O)CCc1cccnc1Cl)C(C)(C)C 850947703 JRFICBXQUGICCV-CYBMUJFWSA-N 293.794 3.649 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ncc(Cl)cn1 857223782 XTOPWLKSEOZPLB-VIFPVBQESA-N 254.765 3.744 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\CCc1ccco1 920945283 UVDCFGMQDNEOKO-PXNMLYILSA-N 284.142 3.954 30 20 CHED C#C[C@@](C)(CC)NCc1ccc(Cl)nc1C(F)(F)F 852103659 NWKIWVJNZXPSQT-LBPRGKRZSA-N 290.716 3.645 30 20 CHED C#CCCCNCc1cn(-c2ccccc2)nc1C(C)(C)C 758482388 MJBABHBPJFGKMT-UHFFFAOYSA-N 295.430 3.673 30 20 CHED Cc1ccc2oc(C(=O)O[C@H](C)CC(C)(C)C#N)cc2n1 851207679 GAHRRXOGRWXOFJ-LLVKDONJSA-N 286.331 3.621 30 20 CHED Cc1cc([C@H](C#N)C(=O)[C@H]2CC[C@H](C(C)C)CC2)nc(C)n1 753533287 NURAMRKFNKSBJT-JYJNAYRXSA-N 299.418 3.732 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1c(F)cccc1Cl 851213738 JONGPZAJOVMZME-SNVBAGLBSA-N 297.757 3.893 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1c(F)cccc1F)OCC 756478485 VKEGXQFAHQFLIK-BXUZGUMPSA-N 298.329 3.940 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(Cl)cc1 860195554 XNFDJFJWDGKZJV-UHFFFAOYSA-N 265.740 3.713 30 20 CHED C=CCC1(NC(=O)C2CCCCCCC2)CCOCC1 855686049 RFOSCEDVEDGUPF-UHFFFAOYSA-N 279.424 3.588 30 20 CHED COc1ccc(NN=C(C)c2ccc(C)c(C)c2O)cc1 750945848 JQPGSMOGNGTHEV-UHFFFAOYSA-N 284.359 3.854 30 20 CHED C#C[C@@H](CC)NC(=O)CCCc1ccc(Cl)c(Cl)c1 754366905 NTLVOMHSAMVJDA-LBPRGKRZSA-N 298.213 3.844 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 935370092 FAFSZLFIZCVCJI-IIAWOOMASA-N 272.392 3.593 30 20 CHED CC(C)c1cnc(SCc2ccc(F)cc2C#N)[nH]1 863363990 HODHXSFTOOFMFQ-UHFFFAOYSA-N 275.352 3.836 30 20 CHED C#C[C@H](OC(=O)C[C@H](OCC)C(=C)C)c1ccc(C)cc1 860964822 XLLLERNKYHLETE-IRXDYDNUSA-N 286.371 3.584 30 20 CHED COc1c(F)cc(F)cc1N[C@@H](C#N)Cc1ccccc1 760224574 FKBOJTBINGKBNJ-CYBMUJFWSA-N 288.297 3.520 30 20 CHED COc1ccc(NCc2cnc(C3CC3)s2)cc1C#N 865296404 XKWBLUQDTPBJHH-UHFFFAOYSA-N 285.372 3.513 30 20 CHED CCCCCCCC(=O)Oc1ccc2c(c1)CN(C)C2=O 768858107 WUYNTTRPTLXYNS-UHFFFAOYSA-N 289.375 3.538 30 20 CHED CCOC1CC(CN2CCC(c3ccc(C#N)cc3)CC2)C1 933612189 PTIQNELFHRVNSF-UHFFFAOYSA-N 298.430 3.553 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1C)c1nc(C)cs1 932053990 NTXFZZNWCZWBSN-AWEZNQCLSA-N 299.399 3.513 30 20 CHED CCC[C@@H](C(=O)OCc1ccc(C#N)cc1OC)C(C)C 766922177 KCIVFOLCSJTZDQ-OAHLLOKOSA-N 289.375 3.682 30 20 CHED COc1ccc(NCc2cnc(C3CCC3)s2)cc1C#N 865296013 PXPYVQRKZASEFC-UHFFFAOYSA-N 299.399 3.903 30 20 CHED CCC[C@@H](C(=O)OC[C@H](C)C#N)c1cccc(Cl)c1 860616652 XLNSBEFJQBRZCQ-BXUZGUMPSA-N 279.767 3.927 30 20 CHED CCCCCCCNC(=O)[C@@H](C)c1cccs1 862358396 FZKMULHRVLJUNB-LBPRGKRZSA-N 253.411 3.938 30 20 CHED Cc1noc(C)c1/C=C1/Cc2ccc(Cl)cc2C1=O 762445892 ADWXVEYWHOPISZ-WDZFZDKYSA-N 273.719 3.767 30 20 CHED C=CCC[C@@H](NC[C@@H](C)CC1(C)OCCO1)c1ccco1 866425567 MNSDYEVCLLDPTR-LSDHHAIUSA-N 293.407 3.666 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1occc1C 767793022 SZXVQXAZPFBQJK-UHFFFAOYSA-N 262.740 3.755 30 20 CHED Cc1ccc(F)c(C(=O)Oc2ccc(C#N)cc2F)c1F 766520324 GPCSXUFREWMXSK-UHFFFAOYSA-N 291.228 3.503 30 20 CHED CCC(=NNc1cc(C#N)cc(Cl)n1)c1cccs1 768374749 KAKUMTHKROWKNY-UHFFFAOYSA-N 290.779 3.894 30 20 CHED CCn1nc(/C=C\C(=O)c2ccccc2O)c2ccccc21 769746844 RRPLJFFCHXRQSJ-QXMHVHEDSA-N 292.338 3.658 30 20 CHED CC#CCCCC(=O)Oc1ccc(Br)c(F)c1 767092105 SGSDPKOJBIJECE-UHFFFAOYSA-N 299.139 3.687 30 20 CHED C[C@H]1CC(=NNc2cnc3ccccc3n2)CC[C@H]1C 767376872 GFAGJJXENLSIHK-NEPJUHHUSA-N 268.364 3.854 30 20 CHED C[C@@H](CSc1ccccc1)C(=O)OCC1(C#N)CCC1 768105623 STUDMCSYCVIFAM-ZDUSSCGKSA-N 289.400 3.652 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](c2cccc(F)c2)C1 878739683 DAZFIMGFROSFMD-AWEZNQCLSA-N 275.367 3.744 30 20 CHED CCC[C@@H](CC)C(=O)Nc1nc(C)c(SCC#N)s1 874266921 UHVJLNKVVSFDSZ-SNVBAGLBSA-N 297.449 3.832 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 878899559 TZBHQDMBEXDBTE-OAHLLOKOSA-N 289.394 3.819 30 20 CHED FC(F)(F)CCON=Cc1coc(-c2ccccc2)n1 777459713 KXOGZOQWVOZTAF-UHFFFAOYSA-N 284.237 3.645 30 20 CHED C=CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1 772896266 VMFHPLFEGBZWNJ-UHFFFAOYSA-N 294.398 3.885 30 20 CHED CCOC(=O)Nc1ccc(NC[C@H]2CC=CCC2)cc1C#N 779599188 LMKAEKSZXQHFCM-ZDUSSCGKSA-N 299.374 3.895 30 20 CHED Cn1c(-c2ccccc2)cnc1SCC1(CC#N)CC1 1118470851 IPIVRBQOFPNBPA-UHFFFAOYSA-N 283.400 3.873 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 779873303 YQJDDKTXRGDPIC-UHFFFAOYSA-N 281.359 3.599 30 20 CHED N#CCCCCCC(=O)OCc1ccc2[nH]ccc2c1 873552923 AUXHMWAHKJATJG-UHFFFAOYSA-N 270.332 3.685 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccccc1OC(F)(F)F 777450982 AEKUAGSCWXULBF-BDAKNGLRSA-N 258.243 3.639 30 20 CHED Fc1ccc2c(c1)CCCC2=NOCCC(F)(F)F 777459511 RAXMSNQXINDDDI-UHFFFAOYSA-N 275.245 3.835 30 20 CHED N#Cc1ccc(NC(=O)NOC2CCCCC2)cc1Cl 779393065 RELNNKQYEGHUAH-UHFFFAOYSA-N 293.754 3.597 30 20 CHED C#CCCCCCC(=O)NCCc1c(C)cc(C)cc1C 779853640 ACRWMPOCUMAICU-UHFFFAOYSA-N 285.431 3.854 30 20 CHED C#Cc1cccc(N(CC)Cc2ncc(Cl)s2)c1 775633178 SHOYSZNPTRWOON-UHFFFAOYSA-N 276.792 3.804 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 778696773 BOZRTEFBCKLUJI-SECBINFHSA-N 275.691 3.723 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(F)nc1)c1ccccc1 772242964 DRHHRNXAQSBOOZ-HNNXBMFYSA-N 284.334 3.658 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1F 776725576 CQBQGTKDZQWAMW-ORCRQEGFSA-N 293.297 3.528 30 20 CHED C=CCCCC(=O)Oc1cccc(OC(F)(F)F)c1 778070894 AHEOXVDZXAZMDK-UHFFFAOYSA-N 274.238 3.847 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 773030354 PBCHIQFXEVJZEL-JLPXDJIOSA-N 284.378 3.612 30 20 CHED C[C@@H](OC(=O)CCCC(F)(F)F)c1cccc(C#N)c1 771290216 SRRYSZZPPQEZGE-SNVBAGLBSA-N 285.265 3.895 30 20 CHED C#CC[C@@H](NCc1cc(F)ccc1C)c1ccccc1 778105652 FDKWTXZMFSVRLS-GOSISDBHSA-N 267.347 3.988 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(C#N)cc1F 772797348 PFLHYRDCQBCREB-CMDGGOBGSA-N 265.287 3.902 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1C 1124900672 VFVYBPDJOLSURV-HOCLYGCPSA-N 270.376 3.565 30 20 CHED C=CCCCCCOC(=O)CSC(F)(F)F 782797326 KIKUCCFTOMEYOT-UHFFFAOYSA-N 256.289 3.529 30 20 CHED C=C1CCC(C(=O)N2CCc3ccccc3[C@@H]2C)CC1 888836108 MGKLOLCSTLXIBI-AWEZNQCLSA-N 269.388 3.879 30 20 CHED Cc1cc(C=NNc2ccc3c(=O)[nH]ccc3c2)c(C)s1 789071272 ROFGIMNRRGRNCE-UHFFFAOYSA-N 297.383 3.652 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 783981937 HSPQYWAKACXLLW-LLVKDONJSA-N 280.751 3.811 30 20 CHED CC(C)(C#N)CCCOC(=O)C[C@@H]1CCc2ccccc21 783684593 XFTISBKZKMCWFS-HNNXBMFYSA-N 285.387 3.980 30 20 CHED N#CC1(C(=O)Nc2cccc(-c3ccon3)c2)CCCCC1 887105925 MCCLPLAFEMNOKM-UHFFFAOYSA-N 295.342 3.754 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@]2(CCc3ccccc3O2)C1 880030469 PWIAWDRXOLXBAX-LJQANCHMSA-N 299.414 3.585 30 20 CHED Cc1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1C#N 891168391 NYWJOBXRZTWNLY-CVEARBPZSA-N 282.387 3.517 30 20 CHED C[C@@H](C=NOC[C@H]1CCOC1)CC1CCCCC1 788034146 OTSDQBZFHXJRMH-HIFRSBDPSA-N 253.386 3.632 30 20 CHED Cc1cc(C(=O)Nc2cc(C)c(C#N)cn2)c(C)cc1Cl 1130289784 ROYVOHMOTISTGD-UHFFFAOYSA-N 299.761 3.784 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)OCCCC(C)(C)C#N)C1 783854716 JKDKFHAMOHVXBU-CHWSQXEVSA-N 251.370 3.686 30 20 CHED N#C[C@H](C(=O)CCCCc1ccccc1)c1ccccn1 892482716 HDNPDIQMJFRESP-INIZCTEOSA-N 278.355 3.671 30 20 CHED C#CCCCCC(=O)N(CCC=C)OCc1ccccc1 783873158 SDZDNHXKKVPYGR-UHFFFAOYSA-N 285.387 3.717 30 20 CHED CCCCCCCCC(=O)N[C@@]1(C)CCO[C@@H]1C1CC1 784745524 IQZUTVJGETVVGA-SJORKVTESA-N 281.440 3.811 30 20 CHED CCCCOc1ccc(C(C)=NN=c2cc[nH]cc2)cc1 789038088 ULCPDTBMJCGOCH-UHFFFAOYSA-N 283.375 3.519 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccnc(C(F)(F)F)c2)no1 896299947 BVKMJNORRHPJBZ-UHFFFAOYSA-N 297.280 3.905 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)no1 791431271 IPNUFUOREXYPRX-WAYWQWQTSA-N 281.233 3.898 30 20 CHED N#CCCCOC(=O)c1ccccc1NC1CCCCC1 796146425 JLLVRAAZIDYULN-UHFFFAOYSA-N 286.375 3.892 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)nc2)c1 795022250 IORMMAFNKZUPPY-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1cc(Cl)ccc1OC 798376189 SUDJVOHRFZHCPR-NSHDSACASA-N 298.839 3.990 30 20 CHED C=CCCCCN[C@@H](CC)c1ccc(F)cc1O 796944708 FDJKBTVDAGJJEO-AWEZNQCLSA-N 251.345 3.928 30 20 CHED Cc1cc2cc(C(=O)/C=C/c3c(C)cnn3C)oc2cc1C 794704214 ZKUPFTXNMGCCTK-AATRIKPKSA-N 294.354 3.988 30 20 CHED CCCCCCCN1CCN(C)[C@H](Cc2ccccc2)C1 792939878 IEKPEWWRLVPDGB-LJQANCHMSA-N 288.479 3.816 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cccc(OCC)c1 797998146 ATPRULRYSBQPKH-KYJSFNMBSA-N 289.419 3.717 30 20 CHED CCO[C@H]1CC(=NNc2ncccc2F)C12CCCCC2 794984723 NBBZVMYFDVGZLR-AWEZNQCLSA-N 291.370 3.748 30 20 CHED CC(C)N(C)c1ccc(C=NNc2ccc(F)cc2)cn1 790141768 SXIKZWFPGUWXNI-UHFFFAOYSA-N 286.354 3.511 30 20 CHED COCC[C@H]1CCCC1=NN[C@@H](C)c1ccccc1 799877330 WDPNXUJSIHLDNV-DZGCQCFKSA-N 260.381 3.530 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H](F)CC1CCCCC1 793247302 XHIABVHEEPMYRQ-HNNXBMFYSA-N 282.403 3.693 30 20 CHED CCCCC[C@H](C(=O)NCC1(CC#N)CC1)C(C)C 797565941 MZOYQMQDFZQMRB-AWEZNQCLSA-N 264.413 3.649 30 20 CHED C/C(=C\Cl)CSc1snc(Cl)c1C#N 797829375 IVMOERMVGAAKGL-GORDUTHDSA-N 265.190 3.903 30 20 CHED Cc1ccc(O)c(CNc2ccc(Cl)c(C#N)c2)c1 71407422 JGCPBVLDEMBNLR-UHFFFAOYSA-N 272.735 3.838 30 20 CHED N#CC1(c2ccccc2)CC(Nc2cccc(F)c2)C1 86036025 NDBWVGJWESDEBQ-UHFFFAOYSA-N 266.319 3.862 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(Cl)nc1Cl 801550903 ICASRLUTDOVLAH-NSHDSACASA-N 271.191 3.929 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNc1nnc(C)c(C)c1C#N 1307142140 TZNLBAKXZMQNLD-LSDHHAIUSA-N 286.423 3.984 30 20 CHED N#CCOc1cccc(NC/C=C\c2cccc(F)c2)c1 1308678266 VQYNMROVLHBNRZ-HYXAFXHYSA-N 282.318 3.853 30 20 CHED C=CC[C@@H](C)NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 1318642912 BNLRHQCTWCJCHG-CYBMUJFWSA-N 295.448 3.535 30 20 CHED C=C(Cl)COC(=O)c1cc(C)n(Cc2ccco2)c1C 1318233697 WQJYXSWQDMPQQR-UHFFFAOYSA-N 293.750 3.656 30 20 CHED Cc1cc(C)c(CCNc2ccnc(C#N)c2)c(C)c1 1162880841 MVYFZVVFPREJTI-UHFFFAOYSA-N 265.360 3.533 30 20 CHED Cc1ccc(F)c(NC(=O)CC#Cc2ccccc2)c1 1319121406 LWXNOMLIOBIKFJ-UHFFFAOYSA-N 267.303 3.514 30 20 CHED CCN(C(=O)CC#Cc1ccccc1)c1cccc(F)c1 1323857774 RFBZKWFKIGDNAD-UHFFFAOYSA-N 281.330 3.620 30 20 CHED CCOc1cccc([C@@H]2C[C@H]2Nc2cccc(CC#N)n2)c1 1320656278 QNKGKQNWMHACDJ-DLBZAZTESA-N 293.370 3.514 30 20 CHED C=CC[C@@H](CC)NC(=O)N1Cc2ccccc2C2(CCC2)C1 1324474863 ICUHQDUYFVIFQG-MRXNPFEDSA-N 298.430 3.988 30 20 CHED CC(C)CCO[C@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1322509258 DBCIJCRNAHNXIL-GFCCVEGCSA-N 285.347 3.732 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)c1cc2ccccc2o1 1326974172 YLOVASSVFAIKON-UHFFFAOYSA-N 297.701 3.605 30 20 CHED C#CCCOC(=O)c1ccc(-c2cccs2)s1 1321739130 OWULKNMWYHLZKV-UHFFFAOYSA-N 262.355 3.657 30 20 CHED CC(C)c1nccc(Sc2cccc(F)c2C#N)n1 1186843858 AJZKJQNTUAPGLV-UHFFFAOYSA-N 273.336 3.762 30 20 CHED C#CCCOC(=O)c1cc(C(F)(F)F)ccc1Cl 1331503970 HYWBJAUDSWMKFG-UHFFFAOYSA-N 276.641 3.539 30 20 CHED N#CCCCCCC(=O)Nc1ccc(Cl)cc1C#N 1331437256 OKYTUEQFKPOHBY-UHFFFAOYSA-N 275.739 3.624 30 20 CHED CCC(CC)[C@@H](C)C(=O)O[C@@H](CC#N)c1ccco1 1345546989 IMLBIHKLEWRPOG-RISCZKNCSA-N 263.337 3.850 30 20 CHED N#CC[C@H](OC(=O)C1CCC=CCC1)c1ccco1 1346707440 RZVZNYOHRBTYCB-AWEZNQCLSA-N 259.305 3.524 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1csc(C#N)c1 1347770527 HQRNOJQPFWDNPS-UHFFFAOYSA-N 284.384 3.591 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)c1nccs1)c1cccs1 1343903347 ZWERMATXXSPVAZ-KOLCDFICSA-N 292.385 3.652 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 1272901763 FDYFBGLKQNLHRH-AEGPPILISA-N 296.370 3.526 30 20 CHED C=C(C)CCC(=O)N(C)c1cc(Cl)ccc1OC 1354473839 DIXJYJFONUOPHO-UHFFFAOYSA-N 267.756 3.668 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N(C)[C@H](C)CC#N 1440153461 KWTPOKZCDQUQHB-ZBFHGGJFSA-N 278.440 3.990 30 20 CHED C=C(CC(C)C)C(=O)NC(C)(C)c1cccs1 1521002734 DIANZVOLEAWHTE-UHFFFAOYSA-N 251.395 3.702 30 20 CHED N#Cc1ccnc(CNC(c2ccccc2)c2ccccc2)c1 1459672419 UKDMBOAQUSGGPQ-UHFFFAOYSA-N 299.377 3.832 30 20 CHED CSc1ccc(O)c(C(=O)Nc2cc(C)cc(C#N)c2)c1 1299292057 GSPOQFGZPLSZQR-UHFFFAOYSA-N 298.367 3.547 30 20 CHED C=C(CC)C(=O)N(C)Cc1ccccc1OC(F)(F)F 1527420788 SMGMJUMPELEYDN-UHFFFAOYSA-N 287.281 3.510 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1457764210 UBIMSBYSNMWIAG-IVMMDQJWSA-N 271.360 3.989 30 20 CHED C=C(CC(C)C)C(=O)Nc1cnc2c(cnn2C(C)C)c1 1527409350 GZNXVQZDVHNCEQ-UHFFFAOYSA-N 286.379 3.553 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1cc(C(=O)O)co1)C2=O 1600497068 ITIPDQTUVUYUFB-MLPAPPSSSA-N 286.308 3.616 30 20 CHED CC[C@H]1CN(Cc2ccc(Cl)cc2C#N)[C@@H](CC)CO1 1473618693 UOLUVBPNTRKPAC-HOTGVXAUSA-N 292.810 3.601 30 20 CHED N#Cc1cc(F)cc(OCCCc2ccccc2)c1 227635576 XIMYBRMGNSUGAZ-UHFFFAOYSA-N 255.292 3.709 30 20 CHED N#Cc1cccc(CSc2ccc3[nH]ncc3c2)c1 1559424530 NNUYXCDBZTVZCC-UHFFFAOYSA-N 265.341 3.727 30 20 CHED C[C@H]1C[C@@H]1CNc1c(C#N)cnc2c(Cl)cccc12 1639279680 UGDBJHBKSIVPCX-VHSXEESVSA-N 271.751 3.828 30 20 CHED C=C(Cl)CNC(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 1564680035 LZCBZXOLJQHIBR-DGCLKSJQSA-N 286.847 3.891 30 20 CHED N#Cc1ccc(SCCCCCCc2cnn[nH]2)cc1 1577717418 DBEAPZWCBGCXQD-UHFFFAOYSA-N 286.404 3.572 30 20 CHED N#Cc1nccc(Oc2cc(C(F)(F)F)ccc2Cl)n1 1654886694 ZSZQDHXJVQGUFX-UHFFFAOYSA-N 299.639 3.813 30 20 CHED CC[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1C 1585516171 LCGOBWLEPNDHTP-UONOGXRCSA-N 284.403 3.748 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)c1ccnc(C#N)c1 1651572452 LGZTVESHWMDAAA-KRWDZBQOSA-N 279.387 3.719 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@@H](C)CCC[C@@H]1C 1657353085 WIEZYTCIVIQWDS-ZFWWWQNUSA-N 256.393 3.877 30 20 CHED CC(C)CN(CCC#N)CCSc1ccc(F)cc1F 1652547080 WPJJITAFYHTRIP-UHFFFAOYSA-N 298.402 3.929 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H]1C[C@@H]2CCC[C@@H]21 1658578196 XNMUFVCGOPVMPO-OSFYFWSMSA-N 256.349 3.578 30 20 CHED C[C@@H]1C[C@@H](OC(=O)c2sccc2C#N)CC(C)(C)C1 1587192034 GRMGGSNDFSYJHX-ZYHUDNBSSA-N 277.389 3.991 30 20 CHED Cc1ccc([C@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1652293653 JNMNSICXLWVHKZ-KXBFYZLASA-N 294.398 3.593 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1C(C)(F)F 1583072676 QYDWYJWOFWDKCP-UHFFFAOYSA-N 290.269 3.824 30 20 CHED C[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 1665385911 MBTYWQRKQMJCFX-CMPLNLGQSA-N 291.782 3.769 30 20 CHED N#Cc1ccsc1NC(=O)N1CCC=C(c2ccco2)C1 1672812931 VMRKZIMCDALJNV-UHFFFAOYSA-N 299.355 3.534 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)cs1 1595728215 UJCVYGWOCPCUAJ-STQMWFEESA-N 276.405 3.566 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)C)c(Cl)c1 232595945 LCZSFDFBZLBISF-UHFFFAOYSA-N 278.783 3.660 30 20 CHED C=C(CNC(=O)N1C[C@@H](C)CCC[C@H]1C)c1ccccc1 1682941021 OWLZBUIGTHPOAV-GOEBONIOSA-N 286.419 3.920 30 20 CHED CC[C@H]1CCCC[C@H]1C=NNc1ccccc1C(=O)O 1776030975 GPNJTBYSGYBZSL-STQMWFEESA-N 274.364 3.999 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(C(=O)O)s2)c1 1776126932 BKXUPSXHZWCNKR-ALCCZGGFSA-N 272.325 3.651 30 20 CHED C=C(C)CN(C)c1c(C(=O)O)cnc2c(C)cc(C)cc12 1776139696 QCTMHKMGBYKUEB-UHFFFAOYSA-N 284.359 3.562 30 20 CHED C=CCN(C)C(=O)c1ccc(OCCCC)c(OCC)c1 161345051 KZPZLSOJQHBJSZ-UHFFFAOYSA-N 291.391 3.522 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1 158619539 WMODDXACWYHRHP-AWEZNQCLSA-N 297.402 3.690 30 20 CHED CCOC(=O)C1(N(C)CCCC(C)(C)C#N)CCCCC1 151226673 MMBFWDMQMFYZOD-UHFFFAOYSA-N 294.439 3.514 30 20 CHED CCN(C(=O)c1csc(C2CC2)n1)c1ccc(C#N)cc1 152166108 MOMAHMXUKBRXPI-UHFFFAOYSA-N 297.383 3.559 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@@H](C3CC3)C2)CC1 153022823 QJWQDXGNKGVDDX-AEFFLSMTSA-N 276.468 3.585 30 20 CHED C=C(C)CNC(=O)N[C@H](CC)c1ccccc1OC(F)F 156307203 KWOCUBXQYYEQAC-GFCCVEGCSA-N 298.333 3.614 30 20 CHED N#CCCOc1ccccc1Oc1ccc(C#N)cc1F 155365909 LWOPZXHZQQHIOJ-UHFFFAOYSA-N 282.274 3.782 30 20 CHED C=CC1CCN(C(=O)[C@H](C)Cc2ccccc2Cl)CC1 154187206 CXHVKVNFFARZKA-CYBMUJFWSA-N 291.822 3.943 30 20 CHED C=C(C)CNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 156395670 WCIKFRXRDZTRBL-GFCCVEGCSA-N 272.348 3.711 30 20 CHED C#CCCCCNC(=O)Nc1ccc2nn(C(C)C)cc2c1 154904515 JBYBQJUSYUUJBG-UHFFFAOYSA-N 298.390 3.542 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2cccc(C#N)c2)o1 19922030 CKTJZUDYOXNFOJ-IAQYHMDHSA-N 252.317 3.887 30 20 CHED C=CCN(C)Cc1ccc(Cl)c(Br)c1 428393712 ZMURXAYWVVLJIH-UHFFFAOYSA-N 274.589 3.720 30 20 CHED N#Cc1cccc(OCCOc2ccc(F)cc2Cl)c1 37865046 VPOWYZKTLGRSHE-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C=CCCN(C)C(=O)CCCc1c[nH]c2ccccc12 276430158 RMCOALYWKOJCAQ-UHFFFAOYSA-N 270.376 3.525 30 20 CHED CCN(Cc1ccc(C#N)cc1F)c1ccc(F)cc1 48353366 JNRZZHBICKNSDZ-UHFFFAOYSA-N 272.298 3.863 30 20 CHED FC(F)C1(NCC#Cc2ccccc2)CCCCC1 510144265 NRDASDNMHGTBJX-UHFFFAOYSA-N 263.331 3.596 30 20 CHED CCS[C@@H]1CC[C@H](N(C)c2nccc(C#N)c2Cl)C1 342441953 QBVVVXPGCMHTMB-NWDGAFQWSA-N 295.839 3.717 30 20 CHED C=CCCCCN[C@H](C)c1cnn(Cc2ccccc2)c1 471588467 BRXUALJAGVKPCV-MRXNPFEDSA-N 283.419 3.938 30 20 CHED CCC(CC)N(CC)Cc1ccc(OC)c(C#N)c1 588977364 XYRDYNWUTZQGIP-UHFFFAOYSA-N 260.381 3.577 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 381086517 CEXARNOCQQHPIU-JKSUJKDBSA-N 254.377 3.569 30 20 CHED N#Cc1ccc(NC(=O)C2CCC3(CC2)CC3)cc1F 598837695 IFCFPFCWGBTSOC-UHFFFAOYSA-N 272.323 3.606 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 695705350 RVSAMNNPCMZCGT-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C[C@H]1Cc2ccccc2N1Cc1ccc(CC#N)cc1 399069747 DATRQTKPHOSWLW-AWEZNQCLSA-N 262.356 3.704 30 20 CHED C=CCCSCCN[C@@H](C)CSC(C)(C)C 850503928 PVEQWZNVPJBQKA-LBPRGKRZSA-N 261.500 3.806 30 20 CHED O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cc(F)ccc1F 7717562 ZHUMDWAAYFNWQE-VMPITWQZSA-N 289.237 3.769 30 20 CHED CCCCCCCNC(=O)c1cccc(C)c1[N+](=O)[O-] 104853260 OKMCDKRZSRYLOY-UHFFFAOYSA-N 278.352 3.603 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)c2ccccc2Cl)n1 308177075 ITJGROJJILZATQ-JTQLQIEISA-N 286.766 3.737 30 20 CHED CCc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)s1 116799982 BYQLTNTYFFJTMA-XHDPSFHLSA-N 276.405 3.513 30 20 CHED CCCN(CC#N)[C@@H](C)c1ccccc1Br 52134868 XZALNRHRPIIZRO-NSHDSACASA-N 281.197 3.746 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ncc(CC)s1 179656413 GSTQDBZTGJXUKQ-SNVBAGLBSA-N 267.398 3.572 30 20 CHED C=C(Br)CNC(=O)C[C@@H](CC)CCCC 117244499 ILSPUBYYESNKHW-NSHDSACASA-N 276.218 3.618 30 20 CHED Cc1ccccc1Nc1nc(CN(CC#N)C2CC2)cs1 68815488 STOCWMNPUFCGGT-UHFFFAOYSA-N 298.415 3.683 30 20 CHED C#CCCCCC(=O)NCCCSc1ccc(F)cc1 119488350 SMBRRSKZZIIJPU-UHFFFAOYSA-N 293.407 3.618 30 20 CHED N#Cc1ccc(CN(Cc2ccc(Cl)nc2)C2CC2)cc1 171750040 VDEBUXPZPMOUIE-UHFFFAOYSA-N 297.789 3.771 30 20 CHED N#C[C@@H](C(=O)C1CCCCCC1)c1nc2ccccc2o1 171330186 ZNWGEGRTZFZPHK-ZDUSSCGKSA-N 282.343 3.974 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)c1 171916672 CLIGYEOXILUZLE-UHFFFAOYSA-N 287.322 3.806 30 20 CHED C=C[C@@H](CC(=O)N1CCCC2(CC2)C1)c1ccccc1 185355056 GVLOVWLQXPVKLB-HNNXBMFYSA-N 269.388 3.749 30 20 CHED C=CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccccc1 172735288 QZUWUBPNDXEPCX-UHFFFAOYSA-N 296.326 3.736 30 20 CHED Cc1nnc(N[C@H](C)c2cc3ccccc3o2)c(C#N)c1C 24054645 IBFUPGSFIPOUKA-GFCCVEGCSA-N 292.342 3.884 30 20 CHED COc1cc(Oc2ccc([N+](=O)[O-])c(C)c2)ccc1C#N 302870219 BIJLNXLKADCCJH-UHFFFAOYSA-N 284.271 3.576 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(F)cc1 116973629 ZHKOQKXLTHNSRN-WFASDCNBSA-N 276.355 3.637 30 20 CHED Cc1nc(-c2ccccc2)sc1C(=O)NCCCCC#N 171505365 YGPJNDVQOSIXCW-UHFFFAOYSA-N 299.399 3.542 30 20 CHED C=CCCC[C@H](C)NC(=O)NCC1CCC(F)(F)CC1 409767348 MJJZJSPJMYSKAE-LBPRGKRZSA-N 288.382 3.856 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@H]2Cc2ccccc2)cn1 301495077 BDMODSYOSMMUHR-YJBOKZPZSA-N 277.371 3.777 30 20 CHED Cc1onc(-c2ccccc2)c1C(=O)OCCCCC#N 26459621 BWUKRMVQJYGHQX-UHFFFAOYSA-N 284.315 3.501 30 20 CHED Cc1csc([C@@H](NCc2ccc(C#N)cc2)C2CC2)n1 174542428 KRUVNFGCHZTMBU-HNNXBMFYSA-N 283.400 3.564 30 20 CHED COc1ccc(C#N)cc1CSc1ccccc1C#N 178809288 NNYFZZBARBRRAJ-UHFFFAOYSA-N 280.352 3.731 30 20 CHED CC[C@H](Nc1cccc(F)c1C#N)c1c(C)noc1C 301833782 SKKVQVXHMRNFEJ-ZDUSSCGKSA-N 273.311 3.865 30 20 CHED COc1ccc(Cl)cc1[C@@H](CC(C)C)NCC#N 179663252 JWOXCHOHTHHRSS-CYBMUJFWSA-N 266.772 3.549 30 20 CHED C[C@H](C#N)N[C@@H](CCc1ccccc1)c1ccccc1 128939826 BAVPHNIWUOYHFB-QAPCUYQASA-N 264.372 3.862 30 20 CHED C=C(C)CN(C)C(=O)c1sc2cccc(F)c2c1C 180457108 NBLRUHYNNBZFFC-UHFFFAOYSA-N 277.364 3.997 30 20 CHED C=C[C@@H](CC(=O)NCCc1ccc(F)cc1)c1ccccc1 122239100 ZERGUBPSXNGDAW-INIZCTEOSA-N 297.373 3.844 30 20 CHED N#Cc1nccnc1Sc1c(Cl)cccc1Cl 72082107 ORBDOHNCJXXVBV-UHFFFAOYSA-N 282.155 3.806 30 20 CHED C=CCCSc1nnc(-c2ccccc2F)n1CC=C 128619262 AXTJBRJEZICNEG-UHFFFAOYSA-N 289.379 3.938 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](C)Cc1ccc(OC)cc1 188550712 JUBSYMSZJJLYPE-KDOFPFPSSA-N 289.419 3.592 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cn(-c2ccccc2)nc1C 188577973 VNKJUBLENFZMAG-QGZVFWFLSA-N 283.375 3.722 30 20 CHED Cc1ccccc1-c1cnc(CN(CC#N)C2CCCC2)o1 75752124 UPACBKOORQWQFD-UHFFFAOYSA-N 295.386 3.918 30 20 CHED CN(CCC1CCCCC1)C(=O)C1(C#N)CCCCC1 506190089 MIKBWVLIZHZTSO-UHFFFAOYSA-N 276.424 3.889 30 20 CHED C=C(C)CN(CC)C(=O)CNc1cc(C)c(F)cc1Cl 506208588 VXGMVEOGUNYFQF-UHFFFAOYSA-N 298.789 3.624 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNC[C@H]2CC=CCC2)c1 123013535 FWPNRHJDVPFPKQ-RDJZCZTQSA-N 284.403 3.813 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(-c2ccccc2)o1 410839428 ZLJPIQBFRMHRQJ-AWEZNQCLSA-N 282.343 3.711 30 20 CHED COCc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 38010750 CIRJTTKCADLZLR-AWEZNQCLSA-N 280.371 3.555 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2)o1 122484998 NBDLJXSKWVVQQQ-CQSZACIVSA-N 298.342 3.740 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1C[C@H]1C 505738529 UEGBDXRMAAGNBI-GHMZBOCLSA-N 298.839 3.755 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CC(C)(C)Oc2ccccc21 412282827 CHEQTVFFFBOUFS-ZBFHGGJFSA-N 299.414 3.898 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)C1CCCCC1 509934579 MRKXQHHCBQMMAG-ZDUSSCGKSA-N 270.376 3.565 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(F)c(F)c1F 129249392 LKQIALIEDQZOBN-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=CCC[C@H](C)NCCc1ccc(-c2nc(CC)no2)cc1 185987494 HDGWMCFUAVWWSF-AWEZNQCLSA-N 299.418 3.786 30 20 CHED N#CCCNC1(c2c(Cl)cccc2Cl)CCC1 411648862 QNJQMRYXBRVVFI-UHFFFAOYSA-N 269.175 3.876 30 20 CHED CC(C)[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1F 610969991 BRZKFINVXRGYKX-ZBFHGGJFSA-N 260.356 3.612 30 20 CHED CCN(CCCC1(C#N)CCOCC1)Cc1occc1C 412023148 BIKUGPKNGHFWFM-UHFFFAOYSA-N 290.407 3.511 30 20 CHED CC#CCCCC(=O)NCC1(c2ccccc2Cl)CC1 185964986 UCNOACLTCZHKMQ-UHFFFAOYSA-N 289.806 3.681 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCCC[C@H]1F 413785877 RCOMFULXYOAHDJ-ZIAGYGMSSA-N 270.392 3.655 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(CC#N)cc1 184626407 FYNCQVMYVRBSIV-JSGCOSHPSA-N 256.349 3.517 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)Cc1ccccc1OC 410132553 XAPJCVPCVWDTQV-ZBFHGGJFSA-N 289.419 3.735 30 20 CHED CC(C)(C#N)CCOc1cc(F)c([N+](=O)[O-])cc1Cl 285162281 MHLFHDVXNJSCFH-UHFFFAOYSA-N 286.690 3.706 30 20 CHED N#Cc1ccc(NC(=O)c2cncc(-c3ccccc3)c2)cc1 74672210 BLGVYCAJOAYPDS-UHFFFAOYSA-N 299.333 3.873 30 20 CHED Cc1cc(N=C(O)[C@H]2C[C@H]2C2CC2)cc2n[nH]cc12 329074622 PIEYNAIPOPDXIN-RYUDHWBXSA-N 255.321 3.505 30 20 CHED C=C(C)CN(CC)C(=O)CSc1ccc(C)cc1 44508761 NZHWKVCDDTXASM-UHFFFAOYSA-N 263.406 3.512 30 20 CHED N#Cc1c(Cl)cccc1N[C@@H]1CCCSC1 135597715 NXQRIGYEADDERB-SECBINFHSA-N 252.770 3.519 30 20 CHED N#C[C@@H](C(=O)C1CCC1)c1nc(-c2ccccc2)cs1 41535761 HPRHWFHIZCSPPJ-ZDUSSCGKSA-N 282.368 3.786 30 20 CHED CC1(C)CC[C@H](/N=C(/O)Nc2scnc2C2CC2)C1 329072714 OIZXJBQFMZZMCD-JTQLQIEISA-N 279.409 3.925 30 20 CHED Cc1ccsc1/C=C/C(=O)c1sccc1O 193147890 LBPUVJQIJMGALI-NSCUHMNNSA-N 250.344 3.720 30 20 CHED CC1(C/N=C(/O)COc2cccnc2)CCCCCC1 329291766 QZVOYRJTCDFNMF-UHFFFAOYSA-N 276.380 3.777 30 20 CHED Cc1cc2oc(=O)cc(CN(C)CCC#N)c2cc1C(C)C 133316837 JKWINTWJMFGHSO-UHFFFAOYSA-N 298.386 3.570 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 424765672 OPALPOYOUAIBBC-IUODEOHRSA-N 293.382 3.620 30 20 CHED CC(C)C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 425610771 MWWHPKLZXFPABJ-USXIJHARSA-N 299.418 3.765 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cccc3[nH]ccc23)CCC1=O 328936590 FYYLVTVMXXZOQF-QWRGUYRKSA-N 270.332 3.761 30 20 CHED CC[C@@H](C#N)NC(=O)c1cc(C)c(-c2ccccc2)s1 516191437 OFAARAVPQJBOBD-ZDUSSCGKSA-N 284.384 3.756 30 20 CHED CC(C)N(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 134977993 FOTHVNJZZBGQQG-GFCCVEGCSA-N 291.420 3.953 30 20 CHED N#CCC[C@@H](NCc1ccccc1F)c1ccccc1 130536608 JLSOHTJZMIQUEZ-QGZVFWFLSA-N 268.335 3.960 30 20 CHED CC(C)(CCC#N)CNc1ccc([N+](=O)[O-])cc1Cl 229678091 ODGFMVALGCKADS-UHFFFAOYSA-N 281.743 3.990 30 20 CHED Cc1ccc(C#N)c(Sc2cc(F)ccc2F)n1 43400866 SUEJOHDGQAUDCX-UHFFFAOYSA-N 262.284 3.691 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(C#N)cc1 512235895 ZGKLSVHQJOPVRW-ZFWWWQNUSA-N 285.391 3.896 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(Cl)cc1Cl 44317968 CXDLXKVTAXLXCQ-VIFPVBQESA-N 285.174 3.615 30 20 CHED N#CCC1(CN[C@H](Cc2ccncc2)c2cccs2)CC1 424357149 WCDYPKCGBVLXMF-OAHLLOKOSA-N 297.427 3.710 30 20 CHED C=CCC1(c2nc(-c3ccc(OC)cc3)no2)CCC1 191253034 UXOOXPZRWZQALI-UHFFFAOYSA-N 270.332 3.743 30 20 CHED C=C(C)COCCNc1nc2c(cc1C#N)CCCC2(C)C 428175274 HXMSJAAZPCZCIN-UHFFFAOYSA-N 299.418 3.572 30 20 CHED N#Cc1nnc2ccccc2c1NCCC1CCCCC1 85920049 VHRGZJUFWGCHHE-UHFFFAOYSA-N 280.375 3.884 30 20 CHED N#CCc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 339384160 DWDDFTJXESYTFO-UHFFFAOYSA-N 299.761 3.728 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 192149570 MEEWDLKCXPFQPA-NSHDSACASA-N 299.292 3.566 30 20 CHED C=CCSCCNC(=O)N[C@@H](CCC)c1ccccc1 195730068 NGQNXAPGXBGWSN-HNNXBMFYSA-N 292.448 3.746 30 20 CHED CC[C@H](C)CNCc1cccc(OCCCC#N)c1 421378768 KPKIZWJQYABFAR-AWEZNQCLSA-N 260.381 3.505 30 20 CHED CC[C@@H](C)n1ncc(Nc2c(C#N)cccc2[N+](=O)[O-])c1C 425254802 MNNCHVJITMIQOY-SNVBAGLBSA-N 299.334 3.686 30 20 CHED C=CCSCCNC(=O)N1CCC[C@H]1C1CCCCC1 195730033 IAHZXZVYCUIFET-HNNXBMFYSA-N 296.480 3.660 30 20 CHED Cc1cc(Br)cc(N[C@H]2CC[C@H](C#N)C2)c1 381604486 PLUNKSJOWAXVRG-JQWIXIFHSA-N 279.181 3.862 30 20 CHED Cc1ccccc1/C=C\C(=O)c1cccc([N+](=O)[O-])c1 96766422 QSAZXKPKNZHLPJ-KTKRTIGZSA-N 267.284 3.799 30 20 CHED CCCN(CC#N)Cc1c(CC)oc2ccccc12 92398254 GFDVYYNEIBICQM-UHFFFAOYSA-N 256.349 3.731 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)[C@@H](C#N)CCc1ccccc1 331350732 NXCDECHUUGCJRQ-BFYDXBDKSA-N 298.430 3.700 30 20 CHED Cc1cc(C(=O)NCCC#N)sc1-c1ccc(F)cc1 427652956 XLVBGFGLEGAKJS-UHFFFAOYSA-N 288.347 3.506 30 20 CHED C=CCCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 338669837 SFYKWKKPYKCWRT-UHFFFAOYSA-N 269.348 3.735 30 20 CHED N#Cc1ccc(/C=C\c2nc(Cc3cccs3)no2)cc1 518859525 MIYRYGKESQCWFH-FPLPWBNLSA-N 293.351 3.764 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(C2CC2)c1 421348335 BGJYIGCRANPQKS-QZTJIDSGSA-N 271.404 3.635 30 20 CHED N#Cc1cc(N[C@@H]2CCO[C@H]2C2CC2)ccc1C(F)(F)F 231718715 JLNXPNXWOXJRPC-KGLIPLIRSA-N 296.292 3.556 30 20 CHED CCO[C@@H]1C[C@@H](Nc2ccc(C#N)cc2F)C12CCCC2 90801997 MQJDAMBBCUNSPC-HZPDHXFCSA-N 288.366 3.847 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 337028656 CJKSTPZGKYCMFO-MFKMUULPSA-N 298.308 3.617 30 20 CHED N#Cc1ccc(CNCCCSc2ccc(F)cc2)o1 237779039 JOCHUWFTMLYCPA-UHFFFAOYSA-N 290.363 3.562 30 20 CHED CCn1c(C(=O)NC2(C#N)CCCCC2)cc2ccccc21 332213310 KCTZOZRDYSLNAO-UHFFFAOYSA-N 295.386 3.617 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(-n2cccc2)c1 337088313 HBZLLTZNPPKLOQ-OAHLLOKOSA-N 268.360 3.562 30 20 CHED Cc1c(C(=O)N[C@@H]2CCC[C@H]2C)sc2ccc(C#N)cc12 514876055 DSQDZNMTXXLMBW-QMTHXVAHSA-N 298.411 4.000 30 20 CHED CCC[C@@H]1CCCN(/C(O)=N/CCc2cccc(C#N)c2)C1 330938421 BXNCFULMUNFRHI-MRXNPFEDSA-N 299.418 3.527 30 20 CHED CCN(Cc1ccccc1)C(=O)c1cccc(C#N)c1C 337838008 DFGMGTVXDFYYEX-UHFFFAOYSA-N 278.355 3.529 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@H](C(C)C)C1 230997923 JSLICQSZQVWQCB-NWDGAFQWSA-N 260.219 3.699 30 20 CHED CC(C)Oc1ccc(NC(=O)C2CCCCC2)cc1C#N 435358469 ZZFAUQMMGCKXJY-UHFFFAOYSA-N 286.375 3.864 30 20 CHED CCC1(CC)CCCN(C(=O)c2cc(C#N)[nH]c2C)CC1 331644079 JBKWVZPFTJPLTA-UHFFFAOYSA-N 287.407 3.627 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1(C)CCCCC1 527074558 OFPVFPLHEUPIHI-UHFFFAOYSA-N 256.349 3.776 30 20 CHED C[C@@H](NC(=O)Nc1cccc(C#N)c1)[C@H]1C[C@H]2CC[C@H]1C2 248852409 HGRHFYFCCMDRGO-TWJWRFFLSA-N 283.375 3.504 30 20 CHED N#Cc1cscc1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 340197575 KNKVHTPBZVXDEN-GDBMZVCRSA-N 296.395 3.686 30 20 CHED CSc1ccc(N[C@@H](C)c2cccc(C#N)c2)nc1 347250158 CTLBEOOOUOALKG-NSHDSACASA-N 269.373 3.848 30 20 CHED CC[C@@H](C)CNc1ccc2c(c1)CCC(=O)N2CCCC#N 345460700 KSUVXYLNEKEBKG-CQSZACIVSA-N 299.418 3.728 30 20 CHED Cc1cc(CN[C@H]2C[C@H](c3ccccc3)C2)ccc1C#N 435784699 HLLSSYPZLLWSGL-WGSAOQKQSA-N 276.383 3.903 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCc2ccc(C)cc21 436308369 MUVZWBKLHOBPPA-SZMVWBNQSA-N 271.404 3.553 30 20 CHED N#Cc1ccc(COC(=O)CCc2ccc(Cl)cc2)cc1 247642520 IHDAJVSUELXSHO-UHFFFAOYSA-N 299.757 3.888 30 20 CHED C#C[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 246565878 MOULTQMXVMUXMC-AFAVFJNCSA-N 264.324 3.508 30 20 CHED C=CCC[C@H](NC[C@H](C)N1CCCC[C@@H]1C)C1CC1 439091911 XJSMQNMLKSJNAB-ZOBUZTSGSA-N 264.457 3.584 30 20 CHED C=CCn1c(C)nnc1SCCc1ccccc1CC 436129595 NNFURBBKMSYSTO-UHFFFAOYSA-N 287.432 3.670 30 20 CHED C=CCSCc1ccc(C#N)cc1OC(F)F 349057008 MSDUJWANCNSHFD-UHFFFAOYSA-N 255.289 3.579 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(Cl)c(F)c1 435735384 MLVIWDRSEXSZEC-DOMZBBRYSA-N 283.774 3.550 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1cc(F)cc(F)c1 255363179 LUEFHTHGARWOFW-ARJAWSKDSA-N 279.673 3.909 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OC)c2ncccc12 341477171 OBCOWZQPBXEIMG-GFCCVEGCSA-N 299.374 3.720 30 20 CHED C=CCc1cc(/C=C\c2ccc(C#N)cn2)cc(OC)c1O 255891957 QYCAYUBGOFGBEA-ALCCZGGFSA-N 292.338 3.566 30 20 CHED N#C[C@H]1CC[C@H](Nc2cc3c(cc2Cl)CCC3)C1 528001136 LNINJIDJLPUAKK-GWCFXTLKSA-N 260.768 3.933 30 20 CHED C[C@@H](CCCC(F)(F)F)NC[C@H](C)CCC#N 602634700 OGJBKSZNDBQHTK-MNOVXSKESA-N 250.308 3.637 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1c(C)nsc1C 340223041 MNGUKMMPXKWRMG-UHFFFAOYSA-N 292.448 3.968 30 20 CHED Cn1ccc2ccc(NCC#Cc3ccc(F)cc3)cc21 442869617 IWPRBCNOJXMNEB-UHFFFAOYSA-N 278.330 3.781 30 20 CHED CN(Cc1cccc(C#N)n1)[C@@H]1CCC[C@H]1c1ccccc1 602692173 VLPDAYHWKLTLBH-RBUKOAKNSA-N 291.398 3.721 30 20 CHED CC(C)N(C)CC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 526941596 DIZZBLZWBVZTRA-INIZCTEOSA-N 299.462 3.671 30 20 CHED C=CCCCC[C@H](C)NCCc1csc(CC)n1 449114372 ZHADBDJUBCJVQS-ZDUSSCGKSA-N 266.454 3.973 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H](C)c1ccco1 602314384 ZXSTVWCBSFVVLQ-ZDUSSCGKSA-N 276.380 3.704 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1)c1cncc(F)c1 255073884 DDIJZKSWBKIHCT-UTCJRWHESA-N 261.683 3.770 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1 255288705 VUHJEGDVCYCAGO-HJWRWDBZSA-N 253.326 3.824 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)NC1(C#N)CCCCC1 448848275 YTJUFMWWQQULLI-UONOGXRCSA-N 262.397 3.545 30 20 CHED Cc1cc(C)cc(C[C@H](C)N[C@H]2CC[C@H](C#N)C2)c1 442866776 MQOHDBXETUIGJA-ZOBUZTSGSA-N 256.393 3.516 30 20 CHED CCCN(CCc1cccs1)C[C@@H](C)CCC#N 602615577 FZJIFEBVQCGILY-AWEZNQCLSA-N 264.438 3.942 30 20 CHED CCC[C@H](OC)c1noc(C[C@@H](CC#N)c2ccccc2)n1 351140836 ZALFWOMPVCTZGV-CABCVRRESA-N 299.374 3.797 30 20 CHED C=CCC1(C(=O)N(CC)Cc2ccncc2)CCCC1 449825492 PBXDTQBOVCLJAL-UHFFFAOYSA-N 272.392 3.567 30 20 CHED C[C@@H](CN(C)c1ncc(C#N)cc1Cl)c1ccccc1 608974452 XDLBQKZVWFEGRK-LBPRGKRZSA-N 285.778 3.847 30 20 CHED CC1CC(C#N)(C(=O)Nc2cc(C(C)(C)C)ccc2O)C1 531562872 GDGLYWNFOSCJGT-UHFFFAOYSA-N 286.375 3.568 30 20 CHED Cc1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1C 602494521 PMOYTGKKHVUTQY-CQSZACIVSA-N 272.392 3.814 30 20 CHED CCCN(CC1CC1)C(=O)C[C@@H](CC#N)c1ccccc1 353307181 RCQPLRVQNQTVHB-QGZVFWFLSA-N 284.403 3.723 30 20 CHED CNCC1(c2ccc(-c3ccc(F)c(C#N)c3)cc2)CC1 600782637 SRIGXIQINPIHHQ-UHFFFAOYSA-N 280.346 3.615 30 20 CHED Cc1cc(CNC[C@@H](C)CCC#N)ccc1Br 602687747 AUKUYIKVYCYZGK-NSHDSACASA-N 295.224 3.787 30 20 CHED N#Cc1cccc(NCc2ccc(F)c3cccnc23)c1 354797215 MVUMQEBUBLZVDH-UHFFFAOYSA-N 277.302 3.858 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCc1cccc(F)c1 611390080 ATIGEFRWGKTDRO-IBGZPJMESA-N 294.373 3.907 30 20 CHED Cc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c(C)n1 618807322 XUQHNPNKULTMRP-IFXJQAMLSA-N 291.398 3.908 30 20 CHED C=C(C)CCNC(=O)N1CCCC[C@@H]1CC(C)C 459001839 NIYKLECMNMJJAB-CQSZACIVSA-N 252.402 3.563 30 20 CHED CCC1(CN[C@@H]2CCc3ccc(C#N)cc32)CCC1 353265302 MLVVAZOUZSFGQN-MRXNPFEDSA-N 254.377 3.715 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC1CCCCCC1 618804757 LYRWFXGOKDDUEI-KRWDZBQOSA-N 254.377 3.858 30 20 CHED N#Cc1cccc(SCc2cnoc2C2CC2)c1 358554803 LDYSYRGZNJKHMM-UHFFFAOYSA-N 256.330 3.716 30 20 CHED Cc1ccsc1CCNC1CCC(C)(C#N)CC1 449200378 DPHZQWPOSSCPTR-UHFFFAOYSA-N 262.422 3.661 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1C 613273718 WXFNWYXLDXXJBI-HYVNUMGLSA-N 271.404 3.960 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC12CCCC2 618807423 UNOSRACHKWURAJ-DLBZAZTESA-N 266.388 3.858 30 20 CHED CC[C@@H](c1ccc(F)cc1F)N(C)C[C@@H](C)C#N 533406089 JGBYXMHCDKWTSG-HZMBPMFUSA-N 252.308 3.507 30 20 CHED C=CCN(CC=C)C(=O)c1c[nH]cc1-c1ccccc1F 448317107 DLGGEZBRQMHPTC-UHFFFAOYSA-N 284.334 3.635 30 20 CHED C=C(CC)CN(C)CCOc1ccccc1Cl 536880263 AINIRTNVMHBQEM-UHFFFAOYSA-N 253.773 3.617 30 20 CHED C=C(C)CN1CCC(Nc2cc(C(F)(F)F)ccn2)CC1 267346315 FOEYPOHNRANTIF-UHFFFAOYSA-N 299.340 3.553 30 20 CHED CCC(CC)(CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 610753454 PBJRDLPJPLJOJN-CYBMUJFWSA-N 272.392 3.952 30 20 CHED Cc1cc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)sc1C 618786935 YGSKLVLIJMWDOF-HNNXBMFYSA-N 296.395 3.654 30 20 CHED C=C[C@@H](CC(=O)NCC(C)(C)C=C)c1ccccc1 452775317 NWYFZUHHACAENH-AWEZNQCLSA-N 257.377 3.675 30 20 CHED CC(C)(CCNC(=O)C1(c2cccc(C#N)c2)CC1)C1CC1 360739448 QIXRGAXSQMNZTD-UHFFFAOYSA-N 296.414 3.532 30 20 CHED CCC1(C(=O)N[C@H](C)c2cccc(C#N)c2)CCCC1 610685001 STJBZGZJSGXYIU-CYBMUJFWSA-N 270.376 3.706 30 20 CHED C=C(CC)CNC(=O)N(CC)Cc1ccccc1Cl 455523200 NYTJNDRPYNCLMV-UHFFFAOYSA-N 280.799 3.838 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1cc(C)cc(C#N)c1 455958025 RIDFMOROTNCFRD-UHFFFAOYSA-N 273.380 3.767 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(C#N)c1 611555035 JZWXDROLLNHPQS-FZMZJTMJSA-N 282.309 3.721 30 20 CHED C=CCCCNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 614211058 YPBSHNXMIMSEEM-DLBZAZTESA-N 271.404 3.728 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CCC)c1ccc(OC)cc1 453375897 XNCWYAZFOPGSQL-KURKYZTESA-N 289.419 3.860 30 20 CHED CC[C@@H](C)c1noc(C(C)(C)Cc2ccc(C#N)cc2)n1 453070923 VZQBYMJCYFUEKZ-GFCCVEGCSA-N 283.375 3.975 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccccc1OC(F)F 454224931 LCSWGGHPYQHJGL-LLVKDONJSA-N 298.333 3.614 30 20 CHED C[C@@]1(C#N)CCCN(Cc2nc3ccc(F)cc3s2)C1 617849083 ZXQLBAFBRXZRAF-HNNXBMFYSA-N 289.379 3.561 30 20 CHED CC[C@@H](NC[C@H](O)c1ccc(C)cc1)c1ccc(C#N)cc1 278269049 OWKHRHYOWYHUEZ-MOPGFXCFSA-N 294.398 3.641 30 20 CHED COc1cc(C#N)ccc1CN[C@H](C)c1ccc(F)c(C)c1 271815244 SGWFEOMGAJGIBS-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1cccc(CC#N)c1 455908033 QMSIQOWSVODZAO-CXAGYDPISA-N 285.391 3.843 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc(Cl)c(F)c1 626687529 XJRNVBUUNZNGAO-CYBMUJFWSA-N 295.785 3.979 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](CC)CC(F)(F)F 450426590 QIXINJIMLITVFZ-QWRGUYRKSA-N 265.319 3.826 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 450077908 YAZHZCVKSKVCQQ-IINYFYTJSA-N 296.292 3.670 30 20 CHED CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccccc1O 274786599 QKFMLLGYNUONMW-QGZVFWFLSA-N 292.382 3.994 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ncc(Cl)c(C)c1C#N)CO2 541348387 CTDDDZDLKIOOHV-CQSZACIVSA-N 299.761 3.769 30 20 CHED C=CCC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2 459793082 JMHJXLXASDANAE-UHFFFAOYSA-N 261.409 3.674 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H]1CCCc2sccc21 455382543 JPNPJVFUJXECGM-LBPRGKRZSA-N 278.421 3.637 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1c(C)cccc1C 546205531 OKCGZUJSNWVILT-HNNXBMFYSA-N 272.392 3.748 30 20 CHED CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)CCO1 271963180 RQOVQBPEFVHCRE-YLQAJVPDSA-N 290.382 3.552 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnc(-c2ccco2)s1 620861712 WUYUDPHPABAJHO-UHFFFAOYSA-N 290.388 3.878 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 466090462 YAPKTLVXNNEKME-HUUCEWRRSA-N 264.413 3.563 30 20 CHED C=CC[C@H](C)NC(=O)CCCCC(=O)c1ccc(C)cc1 546800844 GWLPXHFBDUAUGL-HNNXBMFYSA-N 287.403 3.819 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 276445086 TWSHZDYJEPEPNM-LBPRGKRZSA-N 293.794 3.583 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 540609609 XKOMMDMMYYKZPT-CHWSQXEVSA-N 262.422 3.924 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 548307552 CZEQDNAOTADWLZ-NSHDSACASA-N 290.794 3.720 30 20 CHED CC(C)[C@H](C#N)NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 463825545 GAFJWHGASXXRNM-IHRRRGAJSA-N 264.413 3.503 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 465122965 XOZUCECQZQQVPH-KBPBESRZSA-N 275.392 3.576 30 20 CHED C=CCCCNC(=O)Cc1cc(Cl)cc(Cl)c1 626710980 WYNZVPVIIAETCF-UHFFFAOYSA-N 272.175 3.618 30 20 CHED N#CC1(C(=O)N2CCC=C(c3ccccc3)C2)CCCCC1 285024600 UGPXYGYOKMZGRH-UHFFFAOYSA-N 294.398 3.776 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC(C)(C)C3)c2c1 462954340 ZVWDDFRFRPMPQB-UHFFFAOYSA-N 279.387 3.960 30 20 CHED Cc1cc(Cl)nc(CN[C@@H](C)c2ccc(C#N)cc2)c1 283586444 RPYOZBUEQSQHGU-LBPRGKRZSA-N 285.778 3.766 30 20 CHED C#CCCCC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 281890417 DVRYRZKHQFBCMP-QZTJIDSGSA-N 279.383 3.637 30 20 CHED C=CCCC(=O)N(CC)c1ccc(Cl)cc1F 281849736 ORUFXUSSDPUDMX-UHFFFAOYSA-N 255.720 3.798 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 285125187 VUYVCBKFHAPWOM-QGZVFWFLSA-N 298.390 3.739 30 20 CHED C=C[C@@H](C)NC(=O)NCC1(c2cccs2)CCCCC1 464748695 BQOBPTKXSXVUDR-CYBMUJFWSA-N 292.448 3.824 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@H]1CCCC 556415972 KYWVDSSYVUVPFP-CABCVRRESA-N 264.413 3.729 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2c(F)ccc(O)c2F)co1 806557649 HRVULMMMNUVTHV-HYXAFXHYSA-N 293.269 3.678 30 20 CHED C#Cc1ccc(CN2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 809664099 ANJTZTVZGIWBOT-HUUCEWRRSA-N 294.225 3.684 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C(C)(C)C)C1 478440332 XLRVQKVSNRNHCW-CZUORRHYSA-N 251.414 3.873 30 20 CHED CCc1cc(C#N)c(NC(=O)CCCOC(C)(C)C)s1 808291400 KPJXSCFANOHXLP-UHFFFAOYSA-N 294.420 3.716 30 20 CHED C#CCCCC(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 297095835 FQQWPAWMXMVVFN-SJORKVTESA-N 269.388 3.585 30 20 CHED C[C@]1(c2ccccc2)CCC(=NN[C@H]2CCSC2)C1 808003542 OTOXYDPWGDOKOE-HOTGVXAUSA-N 274.433 3.579 30 20 CHED CC[C@H]1CCC1=NNc1ccc(OC(F)F)cc1 807968444 OQHNCTPKYISMKC-VIFPVBQESA-N 254.280 3.876 30 20 CHED C=CCCCCCCNC(=O)c1cc(F)c(F)cc1F 805220343 MRRKUXKIAKASIG-UHFFFAOYSA-N 285.309 3.970 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2CCC2CCCC2)c1 561260609 IJBYVBCSTJXCEF-INIZCTEOSA-N 269.392 3.892 30 20 CHED C=CCC1(C(=O)NCCc2ccc(F)c(F)c2)CCCC1 562707787 CRCZHDLUNKOCOF-UHFFFAOYSA-N 293.357 3.760 30 20 CHED C=C(C)CN(C)C(=O)CCOc1ccc(C(C)C)cc1 479269491 CALPWABARLPKJP-UHFFFAOYSA-N 275.392 3.613 30 20 CHED CCc1nc(C)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)o1 293051408 SBGWJSTVYILGQU-UHFFFAOYSA-N 297.358 3.599 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1CCc2c(Cl)cccc21)C(C)(C)C 807882454 QAFHDWUBZXVJIO-UKRRQHHQSA-N 289.806 3.534 30 20 CHED COc1cc(C)cc(OC)c1OCc1ccc(CC#N)cc1 564130931 ILUUDZMYYXDBTP-UHFFFAOYSA-N 297.354 3.657 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(C)c(C)cc1Cl 297522159 WEOXCXKKGNNWPG-NSHDSACASA-N 279.771 3.771 30 20 CHED N#Cc1ccc(CNC(=O)/C=C\c2ccccc2)cc1Cl 801070844 RGUHOFFCFNBWSH-CLFYSBASSA-N 296.757 3.541 30 20 CHED N#C[C@@H](OC(=O)c1ccccc1OC1CC1)C1CCCCC1 805722551 ISVGLIRHGTXFDO-QGZVFWFLSA-N 299.370 3.857 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2CC)[C@H]1SC 807963155 NTSKZPYHNLEOST-HUUCEWRRSA-N 278.421 3.557 30 20 CHED C=CCCOCc1nc(C2CCCCCC2)no1 647690385 KTIJJFJNVHKQRD-UHFFFAOYSA-N 250.342 3.600 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@H](CC)C1 806004210 OOVRDJUEOGJXPQ-AWEZNQCLSA-N 252.402 3.564 30 20 CHED N#Cc1ccnc(NCC2(N3CCCCC3)CCCCC2)c1 561104871 FYEBFQUHUSMKJU-UHFFFAOYSA-N 298.434 3.554 30 20 CHED CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C(C)C 566720532 JLOARGKRVZUTRP-ZDUSSCGKSA-N 289.427 3.503 30 20 CHED N#CCN1CCC(Cc2cc(Cl)ccc2Cl)CC1 482834633 AWVHFNKGBOFQDR-UHFFFAOYSA-N 283.202 3.771 30 20 CHED C#Cc1ccccc1CC(=O)NCc1ccc(C(C)C)cc1 810066147 JBDDIXQZOPCCNM-UHFFFAOYSA-N 291.394 3.650 30 20 CHED C=C(C)CN(C)Cc1ccc(-c2ccccc2C(=O)OC)o1 482148824 LHUSFKGSCAEMIQ-UHFFFAOYSA-N 299.370 3.741 30 20 CHED C=CC[C@H](N[C@H](C)c1ccc(OC)c(O)c1)c1ccncc1 810217895 BVFBGLWFSZMHIQ-CJNGLKHVSA-N 298.386 3.764 30 20 CHED N#C[C@H]1CC[C@H](Sc2c(F)cc(F)cc2F)C1 572352919 RFIJPJSUJUVYKY-CBAPKCEASA-N 257.280 3.888 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(F)c(F)cc1OC 573371860 MYONDKPARLOLBH-SNVBAGLBSA-N 298.333 3.840 30 20 CHED Cc1nc(N2CC[C@@H](Cc3ccccc3)[C@@H]2C)ccc1C#N 488119239 COLUFPHAQSABDV-RDJZCZTQSA-N 291.398 3.719 30 20 CHED C=CCC1(NCc2cnc3ccc(C)cn23)CCCC1 657702449 JRLSBZOWKPVOFP-UHFFFAOYSA-N 269.392 3.621 30 20 CHED C[C@H]1C[C@H](C)N(Cc2ccccc2C(C)(C)C#N)C1 487413963 SQCKSAOKVKCCAW-KBPBESRZSA-N 256.393 3.718 30 20 CHED CO[C@H]1C[C@H](c2ccccc2)CCC1=NOCC1CC1 814941406 WAZCBNHWJHBOGT-WBVHZDCISA-N 273.376 3.752 30 20 CHED C=CCC(F)(F)C(=O)N(CC(C)C)C(CC)CC 815751258 VAMSTYMUGNXGEI-UHFFFAOYSA-N 261.356 3.871 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cc3ccccc3o2)cc1 812370907 WYZUTLBUWYOPQD-UHFFFAOYSA-N 281.271 3.787 30 20 CHED CCc1ccc(C#CC(=O)Nc2c(C)cccc2F)cc1 815963136 QCRYOIHQJUKMEE-UHFFFAOYSA-N 281.330 3.687 30 20 CHED CCCOc1cccc(Nc2nc(C)ccc2C#N)c1 572549696 FKRBBBMXSXRSMP-UHFFFAOYSA-N 267.332 3.794 30 20 CHED N#CCCCC(=O)OCc1csc(C2CCCCC2)n1 812616351 YJIXKYLNRXQWLU-UHFFFAOYSA-N 292.404 3.928 30 20 CHED N#CC1(CCSCCOC[C@H]2CCCO2)CCCCC1 574976227 IJHZYYOAFJPWMZ-OAHLLOKOSA-N 297.464 3.779 30 20 CHED CC(=NNC1CCCC1)c1ccc(C(F)(F)F)cc1 727651614 INQBGADWADYSPF-UHFFFAOYSA-N 270.298 3.962 30 20 CHED Cc1ccc(NN=Cc2cc(-c3ccccc3)cs2)nn1 729937901 KLPVCRZAWKBGSH-UHFFFAOYSA-N 294.383 3.960 30 20 CHED C#CCNC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 726189203 SMNMIAOVTYHMEZ-KRWDZBQOSA-N 284.403 3.631 30 20 CHED C=CCOc1ccc(Oc2snc(C)c2C#N)cc1 579278735 GIZYOLHFHXFZQG-UHFFFAOYSA-N 272.329 3.680 30 20 CHED C=CC[C@H](C)C(C)=NNC(=S)Nc1cccc(OC)c1 727777007 LOUAAFQDRDXLAB-NSHDSACASA-N 291.420 3.570 30 20 CHED N#CCOc1cccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)c1 822400744 RRNVWDWIQSRBLM-HOTGVXAUSA-N 298.386 3.744 30 20 CHED Cc1cc(N(C)C)ccc1Nc1cccc(F)c1C#N 725788362 UHIGYXLJUMDACW-UHFFFAOYSA-N 269.323 3.815 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNCCCOc2ccccc2)o1 729147424 AQWWYHXWVYBHMM-YOEHRIQHSA-N 298.386 3.796 30 20 CHED CC(C)C#CC(=O)Nc1cccc(SC(F)F)c1 825680002 AQANUUWBQHPCLC-UHFFFAOYSA-N 269.316 3.599 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](NC(C)C)C1 728605264 WLTZVPLXJGDWON-MRXNPFEDSA-N 282.472 3.726 30 20 CHED C=C(C)COc1cccc(NC(=O)Cc2cccc(F)c2)c1 589385061 WRPGIEWVYXUXLE-UHFFFAOYSA-N 299.345 3.962 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1c(C)nc2ccc(Cl)cn12 823707146 BEMLWQBOLKORSK-UHFFFAOYSA-N 291.782 3.837 30 20 CHED C=CCN(Cc1nc([C@@H](C)OCC(C)C)no1)C(C)(C)C 661756617 STIASDZTQHRDJZ-CYBMUJFWSA-N 295.427 3.590 30 20 CHED C=CC(C)(C)C(=O)Oc1ccc(C(C)=O)c(Cl)c1 906244504 GTCOIHSSJNGYEK-UHFFFAOYSA-N 266.724 3.660 30 20 CHED C#C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)C(C)C 821567259 JHBOHAFNEYCOQZ-HUUCEWRRSA-N 288.391 3.564 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cc(F)c(F)c(F)c1 730433480 NWTWVAGISTXEEK-UHFFFAOYSA-N 289.260 3.812 30 20 CHED CC(=NNc1cc(F)ccc1F)c1cnn(C(C)C)c1C 901321715 ZHMUEEPFLQSZEW-UHFFFAOYSA-N 292.333 3.887 30 20 CHED N#C[C@H](NC(=O)C=C1CCCC1)c1ccc(Cl)cc1 733258669 HYFLSWFYMBZVQS-AWEZNQCLSA-N 274.751 3.521 30 20 CHED N#CCOc1ccc(CN2CCC3(CCCC3)CC2)cc1 738342370 BRRBWYNPOCOGTF-UHFFFAOYSA-N 284.403 3.745 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@H]1CC[C@H](C#N)C1)CCC2 490437654 UWONRWXSHWZHIL-QRTARXTBSA-N 254.377 3.654 30 20 CHED Oc1ccc2ccccc2c1/C=N\[C@@H]1CCO[C@@H](C2CC2)C1 588467488 MIYOPCPGLSQXPJ-ZGXWBIKRSA-N 295.382 3.922 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccc(C)nc2C)cc1 834890057 IKBLYHDOZPIBBC-HNNXBMFYSA-N 294.398 3.561 30 20 CHED N#Cc1ccc(Cl)cc1N1CCNc2ccccc2C1 589559500 URHQJMVHZFOQHJ-UHFFFAOYSA-N 283.762 3.644 30 20 CHED C=COc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1 839159446 MGTYIVGTCYUCOP-UHFFFAOYSA-N 299.374 3.660 30 20 CHED CCCCCCC[C@H](C)NCCc1cnc(C)cn1 835060364 CTAPDGAOYZHAPJ-AWEZNQCLSA-N 263.429 3.666 30 20 CHED CCCCCC[C@H](C)NN=C(C)[C@@H]1C[C@H]2CC[C@H]1O2 834960284 LERPGVWIMAPSFT-DRPJVOAASA-N 266.429 3.878 30 20 CHED C=C[C@@H](CC(=O)Nc1nc(CCC)co1)c1ccccc1 580567345 WKFDIFDGINVMGQ-ZDUSSCGKSA-N 284.359 3.926 30 20 CHED C=C(C)CN1CCC(c2c[nH]c3ccc(C(=O)O)cc23)CC1 903635894 OOTUGAZXRHNIMC-UHFFFAOYSA-N 298.386 3.622 30 20 CHED C#CC(C)(C)NC(=O)Cc1coc2ccc3ccccc3c12 733873110 HKWDNAMAVFYIKX-UHFFFAOYSA-N 291.350 3.657 30 20 CHED Cc1ccc(C)c(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1 839042655 IDOAVESELHLGEL-KBPBESRZSA-N 257.333 3.543 30 20 CHED C[C@@H](Nc1ncc2c(c1C#N)CCC2)c1ccc(Cl)cn1 580769909 DCBJPXCAXWBHQV-SNVBAGLBSA-N 298.777 3.663 30 20 CHED C#CCOc1ccccc1OCc1ccc(F)c(F)c1 735488668 WKUUAQDTNFSBCY-UHFFFAOYSA-N 274.266 3.556 30 20 CHED C=CC[C@H](NC(=O)NCc1ccc(C)cc1)c1ccncc1 734515664 OZOIMDWDOCOFFF-KRWDZBQOSA-N 295.386 3.507 30 20 CHED C[C@@H]1O[C@H](C)CC1=NNc1nc(-c2ccccc2)cs1 834935917 RLNHUHBTUCZLCV-MNOVXSKESA-N 287.388 3.775 30 20 CHED CC[C@H](CC(C)C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839060212 YJKFPINCVNTCHM-MCIONIFRSA-N 251.370 3.684 30 20 CHED C=CCCCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 749021899 BJUWFEJQELRRDJ-AWEZNQCLSA-N 264.328 3.767 30 20 CHED CC(C)(CC(F)(F)F)NC(=O)CC1(C#N)CCCCC1 597545412 MEMTWBQOOBLEGH-UHFFFAOYSA-N 290.329 3.698 30 20 CHED C#CCC1(C(=O)N(C)C2CC(C)(C)C2)CCCCC1 838146046 IBHMSJPBJQWKJR-UHFFFAOYSA-N 261.409 3.607 30 20 CHED CCOc1ccc(C#N)cc1NC1CCC(F)(F)CC1 592505375 RMJDYPXFODAEMJ-UHFFFAOYSA-N 280.318 3.947 30 20 CHED Cc1cc(C)nc(NN=C2CC(c3ccccc3C)C2)n1 743418816 LAVSGKAGYTWDGA-UHFFFAOYSA-N 280.375 3.747 30 20 CHED C[C@@H](CCC#N)Sc1ccc(-c2ccco2)nn1 593441957 LNCCETHRWZOWOQ-JTQLQIEISA-N 259.334 3.521 30 20 CHED CC(C)c1nc(C#N)c(NN=C/C=C\c2ccc(F)cc2)o1 747753803 MSKBZDMQBNJQEB-TWUMCCCFSA-N 298.321 3.920 30 20 CHED Cc1cc(C)c(NC(=O)N2CCC[C@@H](CC#N)C2)c(C)c1 596627435 ZKRLCTYKNOHKHR-HNNXBMFYSA-N 285.391 3.769 30 20 CHED C/C=C/COc1ccc(CCC(C)=NNCC(F)F)cc1 740616951 ZJGMFCISEDIMMB-HOCVVHBESA-N 296.361 3.805 30 20 CHED Cc1ccccc1C1(NCc2ccc(C#N)s2)CC1 592372534 HSUHUISCGKYGLK-UHFFFAOYSA-N 268.385 3.707 30 20 CHED CCOc1ccc(/C=N/CCc2cccc(C)c2)c(O)c1 749103747 ANQWTZJZXFAWGH-CPNJWEJPSA-N 283.371 3.761 30 20 CHED C=CCCSCCN[C@H]1CCC[C@H]1CCCF 595060117 RSWGRWUZINUOCK-KBPBESRZSA-N 259.434 3.804 30 20 CHED C=C(Cl)COC(=O)c1ccc(Oc2ccccc2)nc1 919384475 UZMLGRIUXKOWJC-UHFFFAOYSA-N 289.718 3.783 30 20 CHED C#CCSCCNC(=N)Nc1ccc([C@@H](C)CC)cc1 849099442 MIGGWUKHWYEAMS-ZDUSSCGKSA-N 289.448 3.503 30 20 CHED Cc1ccc(CCCN2CCC[C@H](CC#N)C2)cc1 595621092 TUMQOCDITPADQQ-QGZVFWFLSA-N 256.393 3.553 30 20 CHED CN(CCc1ccccc1F)c1ccc(F)cc1C#N 742407020 XXNBBKMDOCNCBK-UHFFFAOYSA-N 272.298 3.515 30 20 CHED COc1ccc(C)cc1NC(=O)CC1(C#N)CCCCC1 596630487 TUISMLFOELCQLW-UHFFFAOYSA-N 286.375 3.806 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)[C@H]1CCSc2ccccc21 842333860 NJSLQKQNCIGMBS-JSGCOSHPSA-N 289.400 3.747 30 20 CHED CC[C@@H]1CC[C@@H](C)N(CCCC2(C#N)CCOCC2)C1 595781189 AGQPTAVVWDUTDO-HZPDHXFCSA-N 278.440 3.597 30 20 CHED Cc1cc(NC(=O)c2ccccc2CC(C)C)ncc1C#N 847131795 CKHSCMYCSYSKEK-UHFFFAOYSA-N 293.370 3.713 30 20 CHED CCCC1(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)CCC1 593990428 GWIIWJAOYSUFBS-OAHLLOKOSA-N 298.430 3.823 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 843924749 RGNJWRBZHMPJSI-HZPDHXFCSA-N 281.440 3.765 30 20 CHED Cn1ncc(C2CC2)c1/C=C/C(=O)c1csc(Cl)c1 849249209 FSGQAARBNBJUGQ-SNAWJCMRSA-N 292.791 3.909 30 20 CHED N#CC1(CCN2CCOC[C@@H]2c2ccco2)CCCCC1 591014576 VAIHSBQJERQART-OAHLLOKOSA-N 288.391 3.517 30 20 CHED C#CCOc1cccc(OC(=O)[C@H](C)c2cccc(F)c2)c1 741925541 RXNLMLGJXWSGRW-CYBMUJFWSA-N 298.313 3.547 30 20 CHED O=[N+]([O-])c1ccc2[nH]cc(C=NOCc3ccccc3)c2c1 747751982 STSAVDXDOQJBAX-UHFFFAOYSA-N 295.298 3.627 30 20 CHED CSc1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1 596661646 OLWPKDYILVXOIW-GFCCVEGCSA-N 289.404 3.566 30 20 CHED Cc1ccc(F)c(CCN[C@H](C)CC(C)(C)C#N)c1 926541101 KQZVMGLXSSMBDM-CYBMUJFWSA-N 262.372 3.595 30 20 CHED N#CC1(CC(=O)NCCC2=CCCCC2)CCCCC1 596662999 OJCHBPQKCVMZAP-UHFFFAOYSA-N 274.408 3.857 30 20 CHED CC(=NNc1ncccc1Cl)c1ccsc1 749105599 VUQUHFWVNNNMHY-UHFFFAOYSA-N 251.742 3.633 30 20 CHED N#Cc1nc(N2CCSC3(CCC3)CC2)sc1Cl 596269511 CXZDYTBJZIMQCW-UHFFFAOYSA-N 299.852 3.534 30 20 CHED CCON=C1CCCSc2ccc(Cl)cc21 748249824 HCTVHAYEHYRIPI-UHFFFAOYSA-N 255.770 3.967 30 20 CHED C=C[C@@H](C)ON=C(C)c1ccc(SC)c(OC)c1 844625996 WPWJULNQQMEVMP-SNVBAGLBSA-N 265.378 3.732 30 20 CHED COc1cccc(/C=N\C[C@@H]2CCCC[C@@H]2C)c1O 920387679 SJVDPZYMIDWKFV-MXBYVWFYSA-N 261.365 3.646 30 20 CHED C=C(C)CN(CC)Cc1cc(Cl)c2c(c1)OCCCO2 61758746 QZULFNLXQWGZOH-UHFFFAOYSA-N 295.810 3.899 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)CC[C@@H]1C 685544483 XPKHIQFVGYACGJ-KGLIPLIRSA-N 290.455 3.678 30 20 CHED COc1cc(/C=C2\CCCC(C)(C)C2=O)cc(OC)c1 757533440 CPBCVYNFARKXKW-MDWZMJQESA-N 274.360 3.866 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N(C1CC1)[C@H](C)C#N 855582302 DRBAQGUGQINEEI-LMMOQWNQSA-N 288.778 3.646 30 20 CHED COc1ccc(C(C)=NN[C@@H](C)c2ccccc2)cc1F 920382645 KFXUMRMCJREOTG-LBPRGKRZSA-N 286.350 3.909 30 20 CHED CC(C)c1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)cc1 752978240 RAAXDCKSZUBYEF-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CC[C@@H](CC(=O)N1CCC[C@@H](C#N)C1)c1ccc(C)cc1 928220486 IFMNIGFZRONAHA-HOTGVXAUSA-N 284.403 3.641 30 20 CHED C=C[C@@](C)(CC)c1nc(COc2ccccc2C)no1 685325339 RQIXYQNUARKOLD-INIZCTEOSA-N 272.348 3.811 30 20 CHED C[C@H]1CCCCN1N=Cc1ccc(OC(F)F)c(F)c1 853380196 PWYJWWZIBVSHFR-JTQLQIEISA-N 286.297 3.635 30 20 CHED C#Cc1cccc(NC(=S)NCC2(C3CC3)CCC2)c1 752770274 ZVNWXORDEVWICD-UHFFFAOYSA-N 284.428 3.535 30 20 CHED N#Cc1cc(COC(=O)/C=C/c2ccccc2F)ccc1F 758926197 PLBMKSIBZBTCLW-SOFGYWHQSA-N 299.276 3.593 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@](C)(CC)c1ccccc1)OCC 755884143 SDGUVEGXNHZGJO-WMZOPIPTSA-N 289.419 3.799 30 20 CHED CCSC1(C/N=C\c2cc(Cl)ccc2O)CC1 852999216 YMKNQGGWIXXMPO-NVNXTCNLSA-N 269.797 3.750 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)CCc2ccccc2)c1 920942769 PZYWJYZCMZJCNF-QIQQCEGHSA-N 283.371 3.841 30 20 CHED CCSc1ccc(C(=O)/C=C/c2csnn2)cc1 755605084 VZCTVRJCPRXAQQ-VMPITWQZSA-N 276.386 3.546 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H](C)CC(C)(C)C#N)c[nH]c2c1 851210380 PYTQYSXNBBFLJV-ZDUSSCGKSA-N 298.386 3.890 30 20 CHED CCCCCCC(C)=NNc1ncccc1[N+](=O)[O-] 759202609 FRDMCIOOLAWGBF-UHFFFAOYSA-N 264.329 3.748 30 20 CHED C=CCC1(NCc2nnc(C(C)(C)C)o2)CCCCC1 859747247 PRLRFPVMRKADCZ-UHFFFAOYSA-N 277.412 3.736 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)/C=C\SC 751565078 YASRQJFZNSHUFM-BSYHEUMXSA-N 257.443 3.976 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2cc(C)c(O)c(C)c2)c1 757468582 RCKGAJDWHOZJML-GQCTYLIASA-N 298.338 3.619 30 20 CHED CCc1cccnc1NCc1ccc(O[C@@H](C)C#N)cc1 752101674 TYLFHECJDICTBT-ZDUSSCGKSA-N 281.359 3.547 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccc(C(F)F)cc1 933104766 ACPTUMAMJNBGRC-UHFFFAOYSA-N 293.317 3.782 30 20 CHED c1ccc([C@@H]2CCC2=NNc2nc3ccccc3[nH]2)cc1 769763338 KUAHFQQXRIBQKK-ZDUSSCGKSA-N 276.343 3.908 30 20 CHED COc1ccsc1/C=C1\CCc2c(O)cccc2C1=O 764435723 PJUQEOXPXSOKQQ-MDZDMXLPSA-N 286.352 3.675 30 20 CHED Cc1cc(/C=C\c2ncc(/C=C/C(=O)O)s2)ccc1C#N 766491356 OHDDGARLYQCAPU-DSTIGYBWSA-N 296.351 3.591 30 20 CHED C#CCCc1noc(-c2cc3cccc(Cl)c3o2)n1 762008339 BHYGSAXXCWHYKQ-UHFFFAOYSA-N 272.691 3.702 30 20 CHED Cc1ccc([C@H](C)C=NNc2ccc(C)cn2)cc1 863089435 ULHYOVSOLWYASW-CQSZACIVSA-N 253.349 3.900 30 20 CHED C=C[C@](C)(CC)C(=O)OCCc1ccccc1F 763250677 DJSLJCYQHJWWOA-OAHLLOKOSA-N 250.313 3.514 30 20 CHED CCCCCCCNC(=O)c1cnc([C@@H](C)OCC)s1 862358860 YDBITGXOBXZLOH-GFCCVEGCSA-N 298.452 3.941 30 20 CHED C#C[C@@H](OC(=O)Cc1coc2cc(C)c(C)cc12)C1CC1 767526993 OIGTUOSSSPVJSR-MRXNPFEDSA-N 282.339 3.547 30 20 CHED CC(C)O[C@@H]1CC(=NNc2ccccc2F)C1(C)C 764906065 XZTOKYIEPGBGRX-CQSZACIVSA-N 264.344 3.817 30 20 CHED Cn1ccc2ccc(C(=O)OCCCC(C)(C)C#N)cc21 869805515 GRELEEZOHHTKPR-UHFFFAOYSA-N 284.359 3.665 30 20 CHED Cc1cccc(C)c1CNc1ccc([N+](=O)[O-])c(C#N)c1 766089038 XPIKXOCJPGNSRO-UHFFFAOYSA-N 281.315 3.695 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OCCC)c(C)c1 861624276 PSEZCBNGMOCWHA-UHFFFAOYSA-N 276.380 3.824 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C1=CCCC1 768038710 INXCOQOQPHXTRB-UHFFFAOYSA-N 269.344 3.641 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc(F)c(C#N)c1 769746537 HNGJDGJQGYROME-HYXAFXHYSA-N 287.315 3.664 30 20 CHED Cc1ccc2sc(N3CCC(C#N)CC3)nc2c1C 865484566 YPSQUOUFCDDTJW-UHFFFAOYSA-N 271.389 3.653 30 20 CHED CC(C)C[C@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 769402117 AYVSABLYVBCOJM-GOSISDBHSA-N 299.462 3.904 30 20 CHED CC[C@@H](CC#N)NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1116616224 ANLLCSOGLACHMM-INIZCTEOSA-N 298.430 3.824 30 20 CHED COc1ccc2nc(NN=C[C@H]3C[C@H]3C)c(C)cc2c1 777913691 QBIAOCUPUHSJLB-ZWNOBZJWSA-N 269.348 3.606 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(Cl)c(Cl)c1 1116642909 DNDNDOVLAHYLJZ-KOLCDFICSA-N 274.191 3.845 30 20 CHED CC(C)(C)c1ccc(C2CCN(CC#N)CC2)cc1 57544607 WMXXLWYRYWYIJJ-UHFFFAOYSA-N 256.393 3.687 30 20 CHED CCOc1ccc(/C=N/CC2(OC)CCCCC2)c(O)c1 773908034 SVICUIKADVRASD-LDADJPATSA-N 291.391 3.559 30 20 CHED CCN(C[C@@H](C)CCC#N)c1ccc2[nH]ccc2c1 877471680 XCHBHGMENYDNBH-ZDUSSCGKSA-N 255.365 3.934 30 20 CHED C#CCCCCC(=O)O[C@H](CC)c1cccc(OC)c1 773787805 MBQPJJKYZWPPIR-MRXNPFEDSA-N 274.360 3.883 30 20 CHED CN(C(=O)CCCCCC#N)c1ccc(C#N)c(Cl)c1 876168496 VLJNNHFMBYRDGI-UHFFFAOYSA-N 289.766 3.649 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1cccc(C#N)c1F 774990959 DSZVSJNOVJAVNH-NSHDSACASA-N 277.339 3.813 30 20 CHED C#CCCCCCC(=O)Nc1ccc(N2CCCCC2)cn1 779927093 VZJOTPZSXUBNBO-UHFFFAOYSA-N 299.418 3.594 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(C#N)c(F)c1 776758663 VFXGGJLRQORQRI-UHFFFAOYSA-N 271.270 3.673 30 20 CHED C#CCCOc1ccc(CN(C)[C@@H](C)C2(C)CC2)cc1 770288141 GFJWYNXTQNTBFW-HNNXBMFYSA-N 271.404 3.709 30 20 CHED CC[C@H](CC(=O)OCc1cccc(C#N)c1F)C(C)C 774946108 LAUJYFIJQQWLBL-GFCCVEGCSA-N 277.339 3.813 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N1CCCC(C)(C)[C@H]1C#N 1539317495 SDAFREZZKNAZPN-LSDHHAIUSA-N 278.440 3.990 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cccc(C(=O)O)c1)C2=O 774127822 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C=C(Cl)CSCc1nc(Cc2cccc(F)c2)no1 783529644 OOMVOPVXYKTDRU-UHFFFAOYSA-N 298.770 3.785 30 20 CHED CC(C)=CCC/C(C)=C/C=NOC[C@@H]1CCOC1 788036767 MSKPHGIVGSMTLM-UAANWUHUSA-N 251.370 3.718 30 20 CHED CSCCCN(Cc1ccc(C#N)cc1)C(C)C 75674593 CCFOTMAEXYTMMZ-UHFFFAOYSA-N 262.422 3.522 30 20 CHED Cc1ccc2c(c1)CCN(c1cccc(F)c1C#N)C2 302732395 UIWWTRRYGMTWTG-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C#CCCCN[C@H](c1cccc(OC(C)C)c1)C(F)F 788779100 UWHUKKYCDJUQNZ-OAHLLOKOSA-N 281.346 3.783 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1O 787311601 WTYCDBIKLMRKRJ-GFCCVEGCSA-N 269.747 3.725 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(OCC(C)C)cc2)n(C)n1 789159374 MJHXIXFRJYOJEG-YFHOEESVSA-N 298.386 3.659 30 20 CHED C=C1CC(c2noc(-c3oc4c(c3C)C(=O)CCC4)n2)C1 896885539 ZRTYUBLWGGVVNP-UHFFFAOYSA-N 284.315 3.591 30 20 CHED C#CCCCCC(=O)O[C@@H](C)C(=O)c1cccc(Cl)c1 784522430 OSIQAWDWZOKSAW-LBPRGKRZSA-N 292.762 3.648 30 20 CHED Cc1ccc(Cl)c(C(=O)OCCCC(C)(C)C#N)c1N 784083582 QVGRMJCQPSFZAN-UHFFFAOYSA-N 294.782 3.717 30 20 CHED Cc1nsc(N(C)C(=O)[C@H](C)CCC(C)(C)C)c1C#N 891430148 OPUDNUZLFSSRAR-SNVBAGLBSA-N 293.436 3.748 30 20 CHED C=C(C)CN(C)C(=S)Nc1ccc(Br)cc1 783749211 KYJVWFARSJGEIG-UHFFFAOYSA-N 299.237 3.654 30 20 CHED C=C1CC(c2noc([C@H](c3ccccc3)N(C)CC)n2)C1 896877503 SSSCWZBXAGHBPG-HNNXBMFYSA-N 283.375 3.544 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Nc1cnn(C2CCCC2)c1 895889044 SDLOXVGNWKSKMY-UHFFFAOYSA-N 297.318 3.522 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1cnn(C(C)(C)C)c1C 793113278 CNYJPSNBPMXRKK-ZDUSSCGKSA-N 278.444 3.695 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1ccc(Br)cn1 279650540 FADXBGPPEZRGQE-WDEREUQCSA-N 283.213 3.849 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)n(-c2ccccn2)c1C 799035102 SIFJSORUSOIFPX-HNNXBMFYSA-N 297.402 3.574 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(C(C)(C)CC)cc1 790604346 RGCKDWGNFZHHET-CYBMUJFWSA-N 272.392 3.860 30 20 CHED C[C@H]1CCCC[C@H]1C=NNCc1ccccc1N(C)C 794955810 DMFBLTIMRYWGIR-GJZGRUSLSA-N 273.424 3.654 30 20 CHED C#Cc1cccc(N[C@@H](C)Cc2ccc(F)cc2)c1 133859601 DVQNMEXORXQIEX-ZDUSSCGKSA-N 253.320 3.850 30 20 CHED Cc1ccc(CNc2nc(C(F)(F)F)ccc2C#N)s1 78833975 BCMDVPXLOGYBBY-UHFFFAOYSA-N 297.305 3.954 30 20 CHED CCCCCCCCN[C@@H](C)c1nnc2ccccn12 59141589 WJFYGWWDTFIDRV-AWEZNQCLSA-N 274.412 3.740 30 20 CHED C#Cc1cccc(N(CC)Cc2sc(C)nc2C)c1 741783442 WDVOWUIKDMSFMW-UHFFFAOYSA-N 270.401 3.768 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C[C@@]1(C)CCCS1 792995868 NQMSVAOGHDCSQK-CYBMUJFWSA-N 279.365 3.587 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCC1(F)F 567601802 BGZFWUKNERKTJB-SNVBAGLBSA-N 284.737 3.689 30 20 CHED C#C[C@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(C)C 799047387 XMNMJWVCPZXNNQ-YGRLFVJLSA-N 298.213 3.871 30 20 CHED N#Cc1ccc(Cl)cc1OCc1nnc(C2CC2)s1 582401435 GDZPPJZFNXEJPS-UHFFFAOYSA-N 291.763 3.520 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCCN1Cc1ccccc1 695858743 JGFLDQZQQWUJKT-SJLPKXTDSA-N 299.462 3.569 30 20 CHED CCCCCCCCNC(=O)N(C)CCC(F)(F)F 1319475634 YTSGROJZJUTHQI-UHFFFAOYSA-N 282.350 3.941 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1C)[C@@H]1CC1(C)C 1310419058 OVVGEFANLGUFNJ-UONOGXRCSA-N 285.391 3.813 30 20 CHED C[C@@H](COc1ccccc1F)Nc1cccc(F)c1C#N 1322279969 PPRNNJYMZVGTAK-NSHDSACASA-N 288.297 3.716 30 20 CHED C=C[C@@H](COC)NC(=O)N(c1ccccc1)c1ccccc1 1321239301 HXSIRDBHFIDLHX-HNNXBMFYSA-N 296.370 3.735 30 20 CHED N#CCOc1cccc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)c1 1255895543 FNDWJDBKYHOINE-KBPBESRZSA-N 298.386 3.744 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 1335554856 AYWHYRALAVZPGK-MRXNPFEDSA-N 273.376 3.715 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(Cl)c2occc12 1332901591 GONBUIMTVBFBBG-JTQLQIEISA-N 290.750 3.708 30 20 CHED N#Cc1cc(Cl)nc(N[C@@H]2CCOC3(CCCC3)C2)c1 1336548306 JOKDCMBVTJYZGX-GFCCVEGCSA-N 291.782 3.510 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(C)cnn1-c1ccccc1 1333509269 SIBBDOBKOFTCDA-UHFFFAOYSA-N 283.375 3.722 30 20 CHED N#CCc1cccc(N2CCC(c3ccccc3)CC2)n1 1338233506 NMOWHCWFPMPZNA-UHFFFAOYSA-N 277.371 3.532 30 20 CHED C=C(C)CCC(=O)N[C@H](C1CCCC1)C(F)(F)F 1337131043 BTKWFWHCFNMFCP-GFCCVEGCSA-N 263.303 3.580 30 20 CHED N#Cc1ccc2c(c1)CCCN2CCC1CCCC1 1194692983 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291.420 3.956 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C2CCC2)C2CC2)c1 1672781857 YYXXRSWKYCUYIK-MRXNPFEDSA-N 283.375 3.567 30 20 CHED O=C(O)c1cc(NN=Cc2cscc2Cl)ccc1F 1776062539 YVFUWCMPWFQJHR-UHFFFAOYSA-N 298.726 3.685 30 20 CHED Cc1c(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cccc1C(=O)O 1776086518 ZAWBMTGXDIEUMU-UNQGMJICSA-N 298.386 3.917 30 20 CHED Cc1ccnc(NCC[C@H](C)c2ccccc2)c1C#N 135076449 DGZBDDQOLBKJOT-ZDUSSCGKSA-N 265.360 3.867 30 20 CHED C=CCN(C)C(=O)c1cc(Cl)ccc1SCC 161552412 SUPYWESZYCWTRF-UHFFFAOYSA-N 269.797 3.710 30 20 CHED C=C(Cl)C[S@](=O)[C@H](CC)c1ccc(F)cc1F 150833677 VDJONAHUIOPGRP-SJKOYZFVSA-N 278.751 3.917 30 20 CHED C=C(Br)CNC(C)(C)CCc1ccccc1 158850048 MTPSBCNOXIQFLZ-UHFFFAOYSA-N 282.225 3.896 30 20 CHED C=CCCC(=O)N[C@H](c1cccc(C)c1)c1ccccn1 160018182 JBMXPWXDMUSKPW-GOSISDBHSA-N 280.371 3.562 30 20 CHED N#Cc1cc(Cl)ccc1N[C@H]1CCO[C@@H](C2CC2)C1 160346986 XZEIJEQIZXVXMI-DZGCQCFKSA-N 276.767 3.581 30 20 CHED COc1ccc2oc(/C=C/C(=O)c3ccco3)cc2c1 160551987 HYKSJUTUXODEQD-GQCTYLIASA-N 268.268 3.931 30 20 CHED CC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 201283216 IRQDNKWDPKSAAH-UHFFFAOYSA-N 268.282 3.813 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1c(F)cc(C#N)cc1F 152033674 LTVZFMJPXJAJQZ-LLVKDONJSA-N 294.345 3.781 30 20 CHED N#CCC[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1 153612964 LQJJEUAHBIRBCN-GOEBONIOSA-N 268.360 3.504 30 20 CHED COC(=O)Nc1cc(NCCCC(C)(C)C#N)ccc1F 153778801 GNAQHRFXJJUQOS-UHFFFAOYSA-N 293.342 3.746 30 20 CHED C#CCCCCNC(=O)c1cccc(-c2csc(C)n2)c1 156477917 KCRXWSLMYGMATC-UHFFFAOYSA-N 298.411 3.652 30 20 CHED C[C@@]1(C#N)CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 845514896 JFGWVVWVBHDVFW-ZDUSSCGKSA-N 297.717 3.517 30 20 CHED C=CCC1(NC[C@H](O)c2cccc(Cl)c2)CCCC1 852588541 UFXAHOKNVFXVEU-HNNXBMFYSA-N 279.811 3.852 30 20 CHED N#Cc1ccc(CNCc2ccccc2OC(F)F)s1 135674321 ZQWCFWMWCMJOMT-UHFFFAOYSA-N 294.326 3.511 30 20 CHED N#Cc1cc(NCCCCCCO)ccc1C(F)(F)F 167440089 JGVOMOJALZLGLU-UHFFFAOYSA-N 286.297 3.542 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H]2CCCC[C@@H]2C1 165445735 MALLBMVXTPZBJZ-SJLPKXTDSA-N 268.404 3.879 30 20 CHED CC(C)OCCCNc1ccc(C(F)(F)F)cc1C#N 301743469 VYPJZXJVFBBCFC-UHFFFAOYSA-N 286.297 3.804 30 20 CHED CC(C)C1CCN(Cc2ccc(C#N)c(F)c2)CC1 404276969 SIEPPJMXKMYUMF-UHFFFAOYSA-N 260.356 3.565 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)CC(C)(C)C#N 405136240 QIBKRQBIPQLCIE-NSHDSACASA-N 250.773 3.883 30 20 CHED CCC[C@H](NCc1cc(C#N)ccc1OC)C1CCC1 324864222 HVQMCHJXHCCFHB-INIZCTEOSA-N 272.392 3.625 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)c1c(F)cccc1Cl 426905046 MZUOOEJJEPLQNS-VIFPVBQESA-N 275.714 3.919 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C)cc1O 436756744 FDBISURVGGQYDX-UHFFFAOYSA-N 281.355 3.529 30 20 CHED C=CCCN(C)Cc1ccc(F)cc1Br 682435192 MBWXIMKFEFXZCV-UHFFFAOYSA-N 272.161 3.596 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 804831015 BTDCSBCGLKMPLN-UHFFFAOYSA-N 297.785 3.545 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc(N(C)C)cc1 7586620 CRNXRBUPPZMCAY-JLHYYAGUSA-N 265.356 3.957 30 20 CHED CCN(C(=O)c1sccc1C#N)c1ccc(C)cc1C 52030558 HLITXRFDUCYFHQ-UHFFFAOYSA-N 284.384 3.903 30 20 CHED CC[C@@H](NC(=O)c1cccc(CC#N)c1)c1cccs1 55968274 RSQCWSZVBILFLV-CQSZACIVSA-N 284.384 3.695 30 20 CHED CCCCS[C@H](C)C(=O)N(CCC#N)CC(C)(C)C 104627632 QMIBUSVATQBSCF-CYBMUJFWSA-N 284.469 3.697 30 20 CHED CC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 109741004 YSQBZEMYAAJPTI-UHFFFAOYSA-N 298.729 3.667 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)c1cc(C#N)cs1 178327896 WWUVVOUZHXHXLJ-UHFFFAOYSA-N 278.421 3.764 30 20 CHED CC(C)(C)CCCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 103636075 IALDAMJCFYGBKS-GFCCVEGCSA-N 283.375 3.956 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)c1ccccc1F 178625140 BNAUGUCATIWFPY-GFCCVEGCSA-N 282.318 3.748 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)no1 179244571 IEMULCJZSYTEKU-UHFFFAOYSA-N 297.358 3.851 30 20 CHED C=CCCCSCC(=O)c1cc(C)n(CCOC)c1C 117944758 HQDZAUHLHJTNSY-UHFFFAOYSA-N 295.448 3.633 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)C(C)(C)C#N 112257460 OFJCQSBDFPHWOU-HNNXBMFYSA-N 272.392 3.748 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cn1 111998511 OXJXDSZDXLBKLX-BJMVGYQFSA-N 268.360 3.923 30 20 CHED CC(C)(CCC#N)CN1CCO[C@H](c2ccc(F)cc2)C1 179430836 KYBJEBTUFHFYAJ-INIZCTEOSA-N 290.382 3.529 30 20 CHED Cc1ccccc1C[C@H](C)Nc1c(C#N)cccc1C#N 302909724 YSRKBODSOGMQKJ-AWEZNQCLSA-N 275.355 3.781 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/Cc2cccnc2)cc1 303709306 NTFSFVKLYPLITQ-ZDUSSCGKSA-N 282.391 3.522 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)c1ccc(Cl)c(C#N)n1 301526893 NTYXMSNQOAHPOZ-ZWNOBZJWSA-N 263.772 3.622 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)O[C@@H]1CC[C@H](C#N)C1 179969494 UDKWIVAYGSAFGQ-SQIFRAFTSA-N 289.762 3.979 30 20 CHED CC(C)(C)C1CCC(CNc2ccc(C#N)nn2)CC1 301980703 XTIVJXAUBNANQS-UHFFFAOYSA-N 272.396 3.613 30 20 CHED N#Cc1ccc(Sc2cccc(F)c2)c([N+](=O)[O-])c1 301551719 HFNNUEYOPFBULK-UHFFFAOYSA-N 274.276 3.757 30 20 CHED C=C(C)CCC(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1 1353766801 QGADYPZKTVQLRA-CYBMUJFWSA-N 287.281 3.577 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1cccc2ccccc12 176333920 LKQPCJJDAQMCJB-UHFFFAOYSA-N 293.370 3.997 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc(C#N)cc2)c1 65691608 OAOIJOVPQUBHEI-ZHACJKMWSA-N 277.323 3.853 30 20 CHED CCN(C(=O)c1ccc(C)cc1C)c1ccc(C#N)cc1 174070044 RFEVIORYKTYEHJ-UHFFFAOYSA-N 278.355 3.842 30 20 CHED N#Cc1ccc(N2CC3(CCCC3)C2)cc1Br 306096975 MZJWPRJRGWYIAP-UHFFFAOYSA-N 291.192 3.701 30 20 CHED N#Cc1ccc2[nH]c(-c3ccnc4ccccc34)nc2c1 128808197 MINZOOHHIZCYFP-UHFFFAOYSA-N 270.295 3.650 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccnc(OC3CCCC3)c2)C1 185777239 XRHZMBMBUGLKDY-HOCLYGCPSA-N 299.418 3.575 30 20 CHED C=C(C)COc1cccc(NC(=O)C2=C(C)OCCC2)c1 129127802 MCSSUNTUUSMZCW-UHFFFAOYSA-N 287.359 3.664 30 20 CHED C[C@@H](c1cccc(F)c1)N(C)Cc1cccc(C#N)c1 79389832 BIZTXDIVXLAPRI-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C=CCN(CCc1ccccc1)Cc1csc(C)n1 120552086 ZMZBFOVAXIEVPB-UHFFFAOYSA-N 272.417 3.682 30 20 CHED CCc1nnc(N[C@@H]2CCC[C@H](CC)C2)c(C#N)c1CC 124989241 MMFKEZUPZGGSKW-QWHCGFSZSA-N 286.423 3.854 30 20 CHED C#Cc1cccc(N(C(=O)C[C@@H](C)SC)C(C)C)c1 121155114 ZVECQHKUCDZZQF-CYBMUJFWSA-N 275.417 3.551 30 20 CHED CSCc1ccccc1NC(=O)c1ccc(C#N)cc1 186074742 YYDKFYAISCMZMI-UHFFFAOYSA-N 282.368 3.674 30 20 CHED CC[C@H](C#N)Sc1cc2c(cc1Cl)OCCO2 127638630 HYQISIDOOVVJRD-MRVPVSSYSA-N 269.753 3.505 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccc(Cl)cc1 182615068 BCLBRUZYKLEECD-LBPRGKRZSA-N 265.784 3.744 30 20 CHED O/C(CCCC1CCCC1)=N\c1nc(C(F)(F)F)n[nH]1 79700689 XQDKUEUVEJICSB-UHFFFAOYSA-N 290.289 3.772 30 20 CHED C[C@H](NCc1ccc(F)cc1C#N)c1cccc(F)c1F 181992557 WTJAYSINNUKITI-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=CCCC(=O)N(C)Cc1cccc(OC(F)(F)F)c1 126931001 MKKHSMPKCCRRJZ-UHFFFAOYSA-N 287.281 3.510 30 20 CHED Cc1ccc(Cl)c(NC(=O)C2(C#N)CCCC2)c1 124756857 QFNVJUWQICALFU-UHFFFAOYSA-N 262.740 3.671 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC(C)C)c1ccccc1 182226011 KYLWFVGIHMTFEN-INIZCTEOSA-N 274.408 3.991 30 20 CHED C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 31436575 YDATUYHIVWOGCH-NSHDSACASA-N 284.746 3.703 30 20 CHED Cc1cc(F)ccc1COC(=O)c1cccc(CC#N)c1 182423845 WLGVXFLJTZZBSA-UHFFFAOYSA-N 283.302 3.557 30 20 CHED N#Cc1ccc(SCCOc2ccccc2F)cc1 509651530 MWIPMHAGNKSFEJ-UHFFFAOYSA-N 273.332 3.868 30 20 CHED C=CCC1(C(=O)N[C@H](C)[C@@](C)(OC)C2CC2)CCCCC1 415920167 OUXGOCSVEPXNNH-RHSMWYFYSA-N 293.451 3.833 30 20 CHED Cc1ccccc1CN(c1ncc(C#N)cc1F)C1CC1 413092334 FXEKNWUAVFVGSH-UHFFFAOYSA-N 281.334 3.570 30 20 CHED Cc1cc(CNC(C)(C)c2ccccc2)ccc1C#N 487865560 ZXWGNEHGGKOMGG-UHFFFAOYSA-N 264.372 3.892 30 20 CHED CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 72500872 XFOUKDSGPSTSCC-GWCFXTLKSA-N 291.782 3.864 30 20 CHED C/C(=C\C(=O)OCC1(C#N)CCCC1)c1ccc(F)cc1 183833338 DZIDMHZKFFPTAQ-JLHYYAGUSA-N 287.334 3.856 30 20 CHED C=CCCCCCN(C)[C@H]1CCN(CC)[C@@H](C)C1 488467083 QOSQBMLUCWKLLZ-HOTGVXAUSA-N 252.446 3.537 30 20 CHED C[C@H](NC[C@@H]1CCOc2ccccc21)c1cccc(C#N)c1 181728843 VJEPOSPBPRXVKC-YOEHRIQHSA-N 292.382 3.775 30 20 CHED N#Cc1cnc(N[C@@H]2CCCc3ccc(F)cc32)c(F)c1 413275985 XZGHISBJXINZLV-OAHLLOKOSA-N 285.297 3.721 30 20 CHED Cc1ccc(F)c2c1CCCN2CCCSCC#N 72517968 XPYIPZSCPVLZDR-UHFFFAOYSA-N 278.396 3.534 30 20 CHED Cc1ncc(Br)cc1NCC(C)(C)CCC#N 449519166 AWQOSOYKEUOZTI-UHFFFAOYSA-N 296.212 3.894 30 20 CHED C#Cc1cccc(N(C(=O)CSCCC)C(C)C)c1 77293987 NJGMJYAXZGORCH-UHFFFAOYSA-N 275.417 3.553 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 120103632 XRVFQXZGTPCSKK-NSHDSACASA-N 298.789 3.704 30 20 CHED C[C@@H]1CC(C)(C)N(C(=O)CSCC#N)c2ccccc21 180315092 GZUCMIMXUHSTHQ-GFCCVEGCSA-N 288.416 3.562 30 20 CHED C#CCCCCC(=O)OCc1cc(C)nc2ccccc12 180618863 JUWDAWNGZJDFLM-UHFFFAOYSA-N 281.355 3.780 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(SC)o1 189902814 LXGCCUQZFWNMMZ-UHFFFAOYSA-N 280.393 3.546 30 20 CHED N#Cc1ccc(OCc2cnc3ccccc3c2)c(F)c1 313463025 WHZNVXJPJSNVID-UHFFFAOYSA-N 278.286 3.825 30 20 CHED CCc1cccc2c(CCN[C@@H]3CCC[C@H](C#N)C3)c[nH]c12 185832109 AJVOJORTDRXYLF-WMLDXEAASA-N 295.430 3.945 30 20 CHED C=C(C)CCNC(=O)Nc1c(OC)cccc1SC 417677680 IGEDUGQXFFXKML-UHFFFAOYSA-N 280.393 3.505 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cnc(C2CCC2)s1 130785506 WFIIGCYJISNGKK-UHFFFAOYSA-N 297.427 3.914 30 20 CHED CCOC(=O)CC(C)(C)N(C)CCC1(C#N)CCCCC1 411412435 ICGFAEKSJCYJGK-UHFFFAOYSA-N 294.439 3.514 30 20 CHED CCC(CC)Nc1cc(C(F)(F)F)cnc1C#N 413022797 GKPMFKWUEBOGKU-UHFFFAOYSA-N 257.259 3.573 30 20 CHED CC#CCCNC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 502105432 OKXWRXBWJQYTCA-DOTOQJQBSA-N 284.403 3.583 30 20 CHED CC1(C(O)=Nc2nnc(C3CCOCC3)s2)CCCC1 329488859 YELJNSTTYDBJRQ-UHFFFAOYSA-N 295.408 3.600 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416102946 OLMZZWXAGCMUSE-QBIMZIAESA-N 294.398 3.654 30 20 CHED CCOc1ccc(/C=C/c2ccc(C#N)cn2)cc1OCC 194993089 QEKAUPIBVQPJDC-VMPITWQZSA-N 294.354 3.921 30 20 CHED O/C(=N/Cc1ncccc1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329920936 HEOOVMDOLQJZLZ-BFHYXJOUSA-N 288.391 3.850 30 20 CHED Cc1ccc(CCNc2ccc(C#N)c(Cl)c2)cn1 80981919 PTJRBPRLAOBWTC-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c(CN(C)C)c1 500797466 VBHSUHNYYNOTDM-MRXNPFEDSA-N 294.826 3.942 30 20 CHED CCc1ccc(CCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 41519245 BMNAPDABBIZFKX-HNNXBMFYSA-N 298.411 3.823 30 20 CHED OC1=NCCCC[C@@H]1/N=C(/O)[C@@H]1CCCc2sccc21 329248873 AMPDJTGCECCEOC-NEPJUHHUSA-N 292.404 3.634 30 20 CHED OC1=NC2(CCC2)[C@H](/N=C(/O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 328759171 WNCCOWWUYWLTQD-XDQVBPFNSA-N 290.407 3.811 30 20 CHED C[C@H](/N=C(/O)C[C@@H]1CCCC(O)=N1)[C@H]1C[C@H]2CC[C@H]1C2 329462815 QGWCTBCDYCMVBN-HTVCTNPSSA-N 278.396 3.667 30 20 CHED C=CCN(CCc1ccccc1)Cc1oc(CC)nc1C 428451356 AKOUKBNIRMHAJV-UHFFFAOYSA-N 284.403 3.776 30 20 CHED C#CCCCC(=O)N(CCc1ccccc1)C1CCCC1 192152033 PWYQBQCFVBUSQZ-UHFFFAOYSA-N 283.415 3.804 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cccc(C#N)c1 289570616 RTNTWXZVQWIMFS-LBPRGKRZSA-N 259.353 3.601 30 20 CHED C=CCC[C@@H](C)NCc1cccc(Br)c1O 381047113 DMNWYPMWKNPPMD-SNVBAGLBSA-N 284.197 3.599 30 20 CHED CSC1(CN(Cc2ccc(C#N)cc2)CC(C)C)CC1 517624154 PNTOTTGFONCVOI-UHFFFAOYSA-N 288.460 3.912 30 20 CHED CC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1nc(C)cs1 192836880 MNMPTIDWWWIZDT-RWMBFGLXSA-N 263.410 3.575 30 20 CHED N#Cc1ccc(CNc2cccc(NC(=O)C3CC3)c2)s1 135684355 CXUYSXHAVCXBRG-UHFFFAOYSA-N 297.383 3.580 30 20 CHED C=C(C)CN1CCC(NCc2cc(Cl)cs2)CC1 193092896 SIRHSFGGLCLNQO-UHFFFAOYSA-N 284.856 3.532 30 20 CHED C=C(C)CNC(=S)Nc1ccc(OC2CCCC2)cc1 44665503 RXACEANJLUSAAH-UHFFFAOYSA-N 290.432 3.871 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CSC(CC)(CC)CC 191934919 ODXXFBHNNQHARW-ZDUSSCGKSA-N 284.469 3.697 30 20 CHED C[C@H](SCc1nc(C2CC2)no1)c1cccc(C#N)c1 190787966 BGXVMKXACFXXFH-JTQLQIEISA-N 285.372 3.813 30 20 CHED C=C(C)[C@H](CC(=O)N(c1ccccc1)C(C)C)OCC 339369470 GVCLNZWQKRRBEK-INIZCTEOSA-N 275.392 3.799 30 20 CHED C[C@H](CC1CCCC1)C(O)=Nc1nc2cccnc2[nH]1 330222597 MOFOTDNXTIASLV-SNVBAGLBSA-N 272.352 3.762 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)CC(C)(C)C#N)cc1 335964481 IGXWHGXACQUICF-HNNXBMFYSA-N 270.376 3.598 30 20 CHED CCC[C@H](C)C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 517804146 BRWGBPOTAMYSPP-BBRMVZONSA-N 272.392 3.708 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2)cc(OC)c1 199227938 WAUNLZDTSDIAKQ-HJWRWDBZSA-N 268.312 3.600 30 20 CHED C#CCN(C)C(=O)c1oc2c(ccc3ccccc32)c1C 191131195 WYFPIMRQCUAFIM-UHFFFAOYSA-N 277.323 3.600 30 20 CHED N#Cc1ccc(N[C@H]2CSc3ccccc32)c([N+](=O)[O-])c1 96687038 DUTFVTMLHRLNBN-ZDUSSCGKSA-N 297.339 3.725 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](C)c1cccs1 425127330 ISKUZARNZPMZKO-STQMWFEESA-N 298.411 3.943 30 20 CHED N#Cc1ccc(OCc2ncccc2C(F)(F)F)cc1 428073641 VRGKOEVXRARFNX-UHFFFAOYSA-N 278.233 3.551 30 20 CHED CSc1cccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1C 335231316 JGDKLQYXMHTAOT-NWDGAFQWSA-N 289.404 3.531 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1c1cccs1 337758726 NNPAYEVFZJQICH-OAHLLOKOSA-N 296.395 3.906 30 20 CHED CC[C@H](/N=C(/O)c1c(C)noc1C(C)C)C(C)C 330612134 PWOBQLSQOLFTQW-NSHDSACASA-N 252.358 3.846 30 20 CHED C=CCNC(=O)N[C@H](CCc1ccccc1)c1ccccc1 339443365 OVECMSQKZZUWBX-GOSISDBHSA-N 294.398 3.846 30 20 CHED Cc1cccc([S@@](=O)CCCCC(C)(C)C#N)c1 235811517 PWICJLFVQJRTJO-SFHVURJKSA-N 263.406 3.823 30 20 CHED CC(C)c1ccc(/C(O)=N/[C@H](C)[C@@H]2CCCOC2)c(O)c1 331245737 UDHOPCGHVGUTAC-TZMCWYRMSA-N 291.391 3.635 30 20 CHED CCC(CC)c1cc(C/N=C(/O)N[C@@H]2CC[C@@H](C)C2)on1 331221789 KDUGUMXNUWQBTJ-DGCLKSJQSA-N 293.411 3.770 30 20 CHED C[C@H](c1nc2ccccc2o1)N1CCC(CC#N)CC1 334154099 QJDFHRTUMFWNIR-GFCCVEGCSA-N 269.348 3.514 30 20 CHED C=C1CCN(C(=O)Cc2coc3cc(C)c(C)cc23)CC1 521450793 KTGJHEHVADZPFB-UHFFFAOYSA-N 283.371 3.771 30 20 CHED Cc1cc(C)c(CCNCc2ccc(C#N)cc2)c(C)c1 237811502 AQASXLQSQBYMBN-UHFFFAOYSA-N 278.399 3.816 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CSc1ccc2ccccc2c1 349361421 BSELFHMNCNULEC-ZDUSSCGKSA-N 298.411 3.692 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCc3ccc(F)cc32)n1 521627647 JUNLJJJNNQLHJT-MRXNPFEDSA-N 281.334 3.809 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccn1 435996154 SRGJOCNLWZATDE-HNNXBMFYSA-N 285.391 3.744 30 20 CHED CN(Cc1cccc(C#N)c1)c1cccc2cccnc12 340213233 BQFKXEZRICDJHO-UHFFFAOYSA-N 273.339 3.743 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 245945041 NMGQUZAQZJTYRA-OFQRWUPVSA-N 287.407 3.765 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 602631539 YSKFODYGVYBSKT-BPQIPLTHSA-N 270.420 3.927 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(Cl)c(Cl)cn1 439381293 UHWCFKHHOQOQSN-QMMMGPOBSA-N 288.178 3.865 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1C#N 255570614 BFPABFCEXBZGFJ-KXFIGUGUSA-N 299.276 3.741 30 20 CHED C=C[C@@H](CC(=O)N(C)c1ncccc1C)c1ccccc1 348814026 JYHZCJIKJJVPKI-HNNXBMFYSA-N 280.371 3.713 30 20 CHED N#CCC1(CNC2(c3cccc(Cl)c3)CC2)CC1 602804332 FSBYTMHBYCBCJJ-UHFFFAOYSA-N 260.768 3.613 30 20 CHED COc1ccc(C(C)=NNc2ccccc2)c(OC)c1 254698258 CDRSYGYIRWBMHG-UHFFFAOYSA-N 270.332 3.540 30 20 CHED COc1cc(C)ccc1NCCCC1(C#N)CCOCC1 347848263 HCAIEELANCJADN-UHFFFAOYSA-N 288.391 3.516 30 20 CHED CN1CCCC[C@H]1CCSc1cccc(C#N)c1 340695163 IXQCDHSBHRBAPO-AWEZNQCLSA-N 260.406 3.525 30 20 CHED CC(C)(C)NC(=O)c1cccc(N=Cc2ccccc2O)c1 255363442 SAHINXQHPWGWAQ-UHFFFAOYSA-N 296.370 3.671 30 20 CHED Oc1ccccc1/C=N\C[C@@H]1CCCO[C@@H]1c1ccccc1 255424235 SFJMXLSMSYHVHD-XLZBRSFNSA-N 295.382 3.979 30 20 CHED N#Cc1ccnc(SCc2csc(-c3ccco3)n2)c1 340974222 KJIKSOZZNBNGOG-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C[C@@H](CNc1cccc(Cl)c1C#N)N1CCC[C@@H](C)C1 603857271 HKQBHSSBJAMOJF-OLZOCXBDSA-N 291.826 3.744 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc(-c3ccccc3)o2)C1 349793495 WCNFQTLHYVRZHI-HIFRSBDPSA-N 266.344 3.728 30 20 CHED CCC(C#N)(CC)c1nc(C2(c3ccccc3F)CC2)no1 528216147 IPONMCACOJSWBP-UHFFFAOYSA-N 299.349 3.870 30 20 CHED CC(C)(C)OCCOc1cc(C#N)ccc1Br 601091596 OJRBJQBQLJSOPS-UHFFFAOYSA-N 298.180 3.515 30 20 CHED COc1ccc(O)c(C=Nc2ccc3c(c2)OC(C)(C)O3)c1 255105729 AYGHYEORBHAAEI-UHFFFAOYSA-N 299.326 3.659 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)c1ccc(Cl)c(Cl)c1 448581123 ISKZUYXLSIRQFB-FZNYLWTLSA-N 297.185 3.720 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCCC(C)(C)C1CC1 602674963 GSQRARXZUYQJLD-CQSZACIVSA-N 278.440 3.501 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)NCC(C)(C)CCC#N 353333490 YNGLGAZRLUQEQB-HUUCEWRRSA-N 293.455 3.832 30 20 CHED CCc1c(C(=O)N(CC)C[C@H](C)C#N)oc2ccccc12 448724069 JSWILMBHYWDZRN-GFCCVEGCSA-N 284.359 3.617 30 20 CHED Cc1ccc(C)n1C1CCN(Cc2cccc(C#N)c2)CC1 263696587 KTIFTCQRLKIUPX-UHFFFAOYSA-N 293.414 3.814 30 20 CHED CC(C)Cn1cc(N[C@H]2CCc3ccc(C#N)cc32)cn1 353683280 ZDCCEXAHHIXGRZ-KRWDZBQOSA-N 280.375 3.510 30 20 CHED N#CCSCCCN1CC[C@@H]1c1ccc(Cl)cc1 267362003 PRJNTHPDTGFTJJ-CQSZACIVSA-N 280.824 3.734 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(C2CC2)ccn1 353925406 YMBBGCPDVWZTTG-LBPRGKRZSA-N 273.380 3.825 30 20 CHED COc1cc(C)cc(NCc2ccc(CC#N)cc2)c1C 447412367 GKEXIIIVRIZNFZ-UHFFFAOYSA-N 280.371 3.990 30 20 CHED CCC1(CC)[C@@H](NCc2ccc(C#N)cc2C)C[C@@H]1OC 617547729 KUTDLBRJQDMSDV-IRXDYDNUSA-N 286.419 3.550 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 610010321 LBCNJVXRMHIGPF-BBRMVZONSA-N 285.391 3.991 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@H](c1ccccc1)C1CC1 359759650 VYQAXCCAAWTXLX-MRXNPFEDSA-N 284.403 3.626 30 20 CHED C=CCCC1(C(=O)NC[C@@H](OCC)c2ccccc2)CC1 357117116 CHYHHYDSZMOJAL-MRXNPFEDSA-N 287.403 3.627 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1[C@@H](C)C1(F)F)c1ccccc1 359337185 AGCLIADTFSAPAP-KWCYVHTRSA-N 279.330 3.711 30 20 CHED COc1cc(CNc2nccc3sccc23)ccc1C#N 357619044 BNOAVTNRWZHRRM-UHFFFAOYSA-N 295.367 3.789 30 20 CHED CCCOc1cccc(CN2CCC[C@](C)(C#N)C2)c1 612405640 BSQIHSWQINBBHS-QGZVFWFLSA-N 272.392 3.601 30 20 CHED CC(C)(C)OCCCSCc1ccc(C#N)cc1 610704027 PYSFZWIPXVHHCX-UHFFFAOYSA-N 263.406 3.997 30 20 CHED C[C@H]1CC[C@H](C)N1c1nc(C(C)(C)C)ccc1C#N 613429492 MBQXKYMQYLHGOE-RYUDHWBXSA-N 257.381 3.628 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCC#N 441064767 JGIPDDORMCRILI-UZLBHIALSA-N 290.410 3.979 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(-c2ccco2)s1 610804948 QWMVTOBWSHIHCY-UHFFFAOYSA-N 288.372 3.772 30 20 CHED C=CC(C)(C)C(=O)NC[C@H](c1ccccc1)C(C)C 448688814 CWVZQUTVKIMZEC-HNNXBMFYSA-N 259.393 3.755 30 20 CHED C=CCOc1cccnc1C(=O)Nc1ccccc1CCC 538198932 OOICAFSSDUSVRN-UHFFFAOYSA-N 296.370 3.851 30 20 CHED C[C@]1(C#N)CCCN(Cc2cnc(-c3ccccc3)s2)C1 612164547 CESMBWGQVIHCEO-QGZVFWFLSA-N 297.427 3.936 30 20 CHED C=CCC[C@@H](O)CN[C@H](CC)C(C)(C)c1ccccc1 537223787 HSDIEQZVBFPVCY-IAGOWNOFSA-N 275.436 3.660 30 20 CHED C=CCC1(NC(=O)c2ccc(C)c(Cl)c2)CCOCC1 618246993 GDFJFVMZUIHTFT-UHFFFAOYSA-N 293.794 3.504 30 20 CHED C[C@H](C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CCC1 457597973 AZKDSAUOSSVCAD-JCGIZDLHSA-N 296.414 3.721 30 20 CHED C=CCC[C@H](NC1C[C@@H](C)O[C@H](C)C1)c1ccco1 530399666 ACGMNMJLZIAAGQ-NFAWXSAZSA-N 263.381 3.833 30 20 CHED Cc1cccnc1[C@H]1CCC[C@@H](NCC(C)(C)CC#N)C1 459683756 BDMNKGFITRKVSW-JKSUJKDBSA-N 285.435 3.946 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(C)cc1OCC1CC1 450080694 FSUCLVQXWJYOQS-UHFFFAOYSA-N 287.403 3.612 30 20 CHED CN(Cc1cccc(C#N)c1)CC(C)(C)c1ccccc1 611410569 JSZDGBZUYGLWLS-UHFFFAOYSA-N 278.399 3.968 30 20 CHED C=C[C@@H](CC(=O)NC(C)(C)C1CC1)c1ccccc1 536566459 BJFIEAQKLXBBQF-ZDUSSCGKSA-N 257.377 3.651 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2nc(C3CC3)sc2c1 362678397 CJCFLZGNWTVZPM-VIFPVBQESA-N 287.388 3.870 30 20 CHED N#Cc1cccc(C2(NC(=O)CC3CCCCC3)CC2)c1 269600870 HHBIDHUYNQYAHX-UHFFFAOYSA-N 282.387 3.634 30 20 CHED Cc1cc(CNCC(C)(C)CC#N)c(OC(F)F)cc1C 459739695 YXWKDQODDWAWIW-UHFFFAOYSA-N 296.361 3.934 30 20 CHED CCCC[C@H](C)NCc1ccc(C#N)c(Cl)c1 619754746 JQJQJXGBWGZBKZ-NSHDSACASA-N 250.773 3.880 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc([C@@H]3CCOC3)c2)C1 617781401 LNXDGKAYNOEQNO-CRAIPNDOSA-N 299.414 3.619 30 20 CHED Cc1c(C#N)cccc1N[C@H](C)Cc1ccsc1 543114544 LYFZLXYGGLSILG-LLVKDONJSA-N 256.374 3.971 30 20 CHED C[C@@H]1CCN(c2c(C#N)nnc3ccccc23)CC12CCC2 271309054 IEWRCBZNMNOWHH-CYBMUJFWSA-N 292.386 3.518 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(C)nc2)no1 273719070 JBKGFEUAJWOEHP-UHFFFAOYSA-N 255.321 3.676 30 20 CHED Cc1cc(CNCc2ccc(C#N)c(Cl)c2)ccc1C#N 619748968 ZQBOEGHILSNBFR-UHFFFAOYSA-N 295.773 3.682 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 278686439 DUZZUCJELNDMFD-SNVBAGLBSA-N 298.308 3.822 30 20 CHED C#CCCCCc1nc(-c2c[nH]c3ccccc23)no1 278234051 RXUSLGQQLDLPTF-UHFFFAOYSA-N 265.316 3.564 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)CC#N)c1cccc(C2CC2)c1 458898941 GJDVNBZESJKADP-CYBMUJFWSA-N 299.418 3.864 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 456034809 MJJIXLDTIIPBTR-MRXNPFEDSA-N 284.403 3.598 30 20 CHED C=CCCOCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 620328174 LHUDVFUQLMIWBS-SFHVURJKSA-N 299.414 3.648 30 20 CHED C=CCCC[C@H](C)NC(=O)CSc1ccc(F)c(F)c1 540532997 VKSKUQGCNBHANR-NSHDSACASA-N 299.386 3.918 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](CC)CNc1ccccc1 452456685 CDJJXZDRNSAJSW-YOEHRIQHSA-N 274.408 3.596 30 20 CHED N#CC1(CN[C@H]2CCCC[C@H]2c2ccccc2)CCC1 450754422 CLUPDSUOMBMNRZ-IRXDYDNUSA-N 268.404 3.996 30 20 CHED C[C@H](NCc1ccccc1C(C)(C)C#N)c1cncc(F)c1 361134018 BIYJWVMTOBUEHU-ZDUSSCGKSA-N 297.377 3.873 30 20 CHED N#CCCCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 451354941 OTQQMHFVVZQMAI-CQSZACIVSA-N 266.747 3.824 30 20 CHED C=CCCN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 276485656 ZRXRIDIYNCPFNN-UHFFFAOYSA-N 290.363 3.540 30 20 CHED C#CCC1(C(=O)Nc2ncccc2CC)CCCCC1 276457385 NZBZWVWNXLZJHT-UHFFFAOYSA-N 270.376 3.556 30 20 CHED C=CCN(C(=O)c1ccc(Cl)c(OC)c1)C(C)(C)C 622944812 GSKVTOVFZVXMSI-UHFFFAOYSA-N 281.783 3.775 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 454852139 JCZSUTBPQLOIDU-NSHDSACASA-N 290.338 3.898 30 20 CHED N#CC1(c2nc(-c3ccc(Cl)c(Cl)c3)no2)CCC1 273667157 FZJIVNFWZUBFBM-UHFFFAOYSA-N 294.141 3.989 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H](CCC)OCC 624504928 RQCGQOVMOJABII-INIZCTEOSA-N 293.382 3.546 30 20 CHED CC(C)CN(C(=O)[C@H](C#N)CCc1ccccc1)C(C)C 469624242 ZBWONBXQLBQTGK-KRWDZBQOSA-N 286.419 3.652 30 20 CHED Cc1cc(Cl)ccc1NC(=O)CC(C)(C)C#N 278262828 NZJXFCPFFKVZMY-UHFFFAOYSA-N 250.729 3.527 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C)CCc1ccco1 547363429 OKENEYQZJCBOFN-CYBMUJFWSA-N 284.359 3.983 30 20 CHED Cc1nsc(N2CCc3sccc3[C@@H]2C)c1C#N 286070795 JEAFVVIWYMDBIE-VIFPVBQESA-N 275.402 3.508 30 20 CHED C=Cc1ccc(CCNCc2ccc(C#N)cc2)cc1 462908160 WNIDMPBELORDOD-UHFFFAOYSA-N 262.356 3.534 30 20 CHED C[C@H](C(=O)N1CCC[C@H]2CCCC[C@@H]21)c1cccc(C#N)c1 461788999 YWGPJIHDLIAZCQ-LESCRADOSA-N 296.414 3.843 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 465121734 PWRBZWUUCRZOPR-KBPBESRZSA-N 275.392 3.576 30 20 CHED C[C@H](C(=O)N[C@H](C)C1CCCCC1)c1cccc(C#N)c1 462147167 SMTIDYIZKAHSAL-UONOGXRCSA-N 284.403 3.747 30 20 CHED C=C(CC)CN1CCC[C@@H]1c1ccc(Br)cn1 555509940 BDLNEKXFYREMCK-CQSZACIVSA-N 295.224 3.947 30 20 CHED CC(C)(C)c1ccc(CN=c2ccc(Cl)c(C#N)[nH]2)cc1 557817242 DHGKANSARNCJQJ-UHFFFAOYSA-N 299.805 3.938 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 467413975 PRPZTTCPAITOJB-OCCSQVGLSA-N 292.379 3.999 30 20 CHED C=CCC(C)(C)CNC1CCC2(CCOCC2)CC1 550856251 JFSPRKXPFYWFNN-UHFFFAOYSA-N 265.441 3.918 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cnc(C)s2)CCCC1 634039785 MKQLBCZMSSWSDX-NSHDSACASA-N 278.421 3.765 30 20 CHED N#CCC[C@H](C#N)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 282542290 WDKYAIGUFBBXHK-OQIJWPOYSA-N 293.414 3.841 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)cc(OC)c2)n1 559993601 UVIPZWYKDSFNHP-UHFFFAOYSA-N 278.739 3.907 30 20 CHED N#CCc1ccccc1NC(=O)CC1CCCCC1 555527515 ZVAHWEPRWDBDRH-UHFFFAOYSA-N 256.349 3.662 30 20 CHED Cc1cccc([C@H]2CCCCN2c2cc(C#N)ncn2)c1C 559494893 XAKUUZUSXPAIKJ-QGZVFWFLSA-N 292.386 3.697 30 20 CHED Cc1ccc([C@H]2CCN(CCCSCC#N)C2)c(C)c1 280470763 OYZBLWJGPMNUPO-INIZCTEOSA-N 288.460 3.740 30 20 CHED C=CCCc1noc([C@@H](C)[C@@H]2OCCc3sccc32)n1 297290451 LSVWKSINAXRYGQ-HZMBPMFUSA-N 290.388 3.667 30 20 CHED C#CC[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1 297031665 UUYNECAZRLWJOG-IAGOWNOFSA-N 277.367 3.734 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 806333050 DMYVVNXFBWDNPA-GFCCVEGCSA-N 297.358 3.629 30 20 CHED CC1(C)CCC(=NNc2nccnc2C2CCC2)C1 807994335 QMDVZXVGOAITSN-UHFFFAOYSA-N 258.369 3.722 30 20 CHED CC[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 294513368 SQTKMMJYNZPELC-HNAYVOBHSA-N 296.414 3.770 30 20 CHED Cc1ccc([C@@H]2CCN(c3ccnc(C#N)c3)C2)c(C)c1 553567954 STPJTFHXBGLLNM-OAHLLOKOSA-N 277.371 3.564 30 20 CHED CCCc1nc(COC(=O)CCCCCC#N)cs1 805696803 MMWWECSNRKSIDJ-UHFFFAOYSA-N 280.393 3.613 30 20 CHED N#CCCC1CCN(C(=O)[C@H](c2ccccc2)C2CC2)CC1 567616014 PSSLRDFZERBICO-GOSISDBHSA-N 296.414 3.723 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@]2(C#N)CCC[C@H](C)C2)CC1 569724889 QXKSRYZBEQSPEH-XGWLTEMNSA-N 274.408 3.712 30 20 CHED C=CCOc1ccc(CN[C@@H](CO)CCC(C)(C)C)cc1 475673520 QPAUWTRRGKJTDA-MRXNPFEDSA-N 291.435 3.528 30 20 CHED C=CCN(C(=O)c1ccc(CC)cc1O)c1ccccc1 647742010 WGRWGZQVKWVDFW-UHFFFAOYSA-N 281.355 3.787 30 20 CHED CC[C@@H](CC(=O)N1CCc2ccc(C#N)cc21)C(C)C 564351274 WIPCDSRMXFUXAS-AWEZNQCLSA-N 270.376 3.520 30 20 CHED C=CCCCCNC(=O)c1ncoc1-c1ccc(C)cc1 471705605 LKZPMRVOPIDYON-UHFFFAOYSA-N 284.359 3.736 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C#N)c1 474083455 WGWLXILZNFRJCO-ZFWWWQNUSA-N 256.349 3.713 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N(C)[C@H](C)C#N)cc1 297966226 VMNUMLMSKCAKFQ-ZIAGYGMSSA-N 272.392 3.674 30 20 CHED CCCc1csc(NC(=O)[C@@]2(C#N)CC23CCCC3)n1 297018295 GUKLVICTHQGYAG-HNNXBMFYSA-N 289.404 3.508 30 20 CHED C=CCCC(=O)OC[C@H](OC)c1ccc(Cl)cc1 801251421 PHSFCBWFROQINL-ZDUSSCGKSA-N 268.740 3.537 30 20 CHED CC[C@H](C)NN=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2 807984229 JNYXBKLLJQNODM-RRQGHBQHSA-N 270.420 3.946 30 20 CHED Cc1ccc2c(CCNc3cc(C)nc(C#N)c3)c[nH]c2c1 567300113 XAFUCASIGHUBGN-UHFFFAOYSA-N 290.370 3.706 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(C#N)c2[N+](=O)[O-])o1 560193612 VYFQNTXLENDTID-MFKMUULPSA-N 297.314 3.795 30 20 CHED CSCC[C@](C)(C#N)NC(=O)c1ccc(C(C)C)cc1 568981173 GJVBRMKDCSEKNN-MRXNPFEDSA-N 290.432 3.575 30 20 CHED C#CCCCCCC(=O)Nc1cnn(C)c1-c1ccccc1 805461135 XJOWCHWYTRWRQB-UHFFFAOYSA-N 295.386 3.609 30 20 CHED C=CCCC[C@@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc12 398159987 KFGHJMUUMBZRMB-LLVKDONJSA-N 286.335 3.695 30 20 CHED N#Cc1ccc(CNN=C2CCC[C@H]2CCCF)cc1 800814401 NTCBDEYESYVPMQ-HNNXBMFYSA-N 273.355 3.554 30 20 CHED C=CCSCCNC(=O)Nc1ccc(C2CCC2)cc1 489795684 VYJZUPXSZXCJDR-UHFFFAOYSA-N 290.432 3.995 30 20 CHED C=CCN1CCC(N[C@@H](CC)c2ccc(CC)cc2)CC1 482645476 YKBNRGPEIREDIQ-IBGZPJMESA-N 286.463 3.940 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)Cc3cscn3)c2c1 488073829 YAEHGQFULGYOSJ-UHFFFAOYSA-N 294.383 3.508 30 20 CHED CCN(C)c1ccc(C(C)=NN[C@@H](C)c2ccncc2)cc1 819816900 RPNQHOBJPSKEDW-HNNXBMFYSA-N 296.418 3.613 30 20 CHED C#C[C@H](C)N(C)C(=O)C1(Cc2cccs2)CCCCC1 813234502 PZOIQMPLZGUORE-AWEZNQCLSA-N 289.444 3.721 30 20 CHED CC(=O)[C@@H](C)CCSc1ccc(C#N)cc1Cl 657251334 BOOIIIDDTMDAQL-VIFPVBQESA-N 267.781 3.919 30 20 CHED C=CCCCCCCCNC(=O)[C@@H](F)C(F)(F)F 811589895 LDBMYFBGQFFVPM-SNVBAGLBSA-N 269.282 3.530 30 20 CHED C=CCCCCN1CCC(c2ncc3n2CCCC3)CC1 571869730 AQWRRDFQKNGDRM-UHFFFAOYSA-N 287.451 3.755 30 20 CHED c1ccc(C[C@H]2CCC(=NO[C@@H]3CCCCO3)C2)cc1 814888094 PRLJLOHAVKYMJB-NVXWUHKLSA-N 273.376 3.928 30 20 CHED C=CCC[C@H](NC(=S)NC1CCC1)c1ccccc1 814199915 DJFSFJGDXLPBID-HNNXBMFYSA-N 274.433 3.711 30 20 CHED Cc1ccc(N2CCN([C@@H]3CC[C@H](C#N)C3)[C@@H](C)C2)cc1C 815057601 VWVDZRHNTQPURW-JENIJYKNSA-N 297.446 3.506 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 488884221 TWHUXWYMBILJIJ-SNPRPXQTSA-N 291.341 3.635 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 819961422 QQLINYWMUHEAAZ-LLVKDONJSA-N 277.320 3.801 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)CC(C)(C)C1CC1 815136896 HGFOSYSJDOHHGX-UHFFFAOYSA-N 287.378 3.614 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)NC1(C)CC=CC1 654593683 FAJULLMKFFCZBX-MRXNPFEDSA-N 284.403 3.582 30 20 CHED N#Cc1ccnc(SCCCc2cccc(F)c2)c1 484691456 SRUYXCTZCXIDPE-UHFFFAOYSA-N 272.348 3.817 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)c1cccc(C#N)n1 810650346 QZGJBCRGVULPMO-BLLLJJGKSA-N 292.338 3.667 30 20 CHED CCCCc1nc(C=NOCCC2CC2)c(Cl)[nH]1 814246762 XSJFCLLEQZJUPK-UHFFFAOYSA-N 269.776 3.556 30 20 CHED COc1cc(C[S@](=O)CCC(C)(C)C#N)ccc1Cl 576964605 SOTDFJQEHLKIGE-LJQANCHMSA-N 299.823 3.537 30 20 CHED CN(Cc1ccc(SC(F)F)cc1)CC(C)(C)C#N 814669427 BADQZNCJHPEVBF-UHFFFAOYSA-N 284.375 3.983 30 20 CHED Cc1cccc2c1CC[C@H]2/N=C/c1cc([N+](=O)[O-])ccc1O 729641029 ANXYUHIDUDIMLY-VHWUNXFSSA-N 296.326 3.715 30 20 CHED C=C[C@@](C)(CC)c1nc([C@@H]2CCOC(C)(C)C2)no1 651440148 BYKXYFYRYWQXJK-ABAIWWIYSA-N 264.369 3.596 30 20 CHED C=CCC1(C(=O)NOCc2ccc(F)cc2)CCCC1 828407630 GGJKUCQTGSCBCU-UHFFFAOYSA-N 277.339 3.510 30 20 CHED N#Cc1ccc2nc(N[C@H]3CCC[C@@H]4C[C@H]34)ccc2c1 575018270 GVTVVFDBZJVGBB-INWMFGNUSA-N 263.344 3.707 30 20 CHED C=CCOCCOc1cccc(NC(=O)OC(C)(C)C)c1 495940873 ILLIZNXDJYMILH-UHFFFAOYSA-N 293.363 3.615 30 20 CHED O=C(/C=C/c1ccc2oncc2c1)c1cccc(F)c1 821022816 VIGJENGXFFIANO-GQCTYLIASA-N 267.259 3.863 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(/C=C/C)cc1 497409746 CMEOUCNCXHSEAP-QPJJXVBHSA-N 256.349 3.926 30 20 CHED N#CCOc1ccc(CSc2ncccc2Cl)cc1 729240960 YRKMZZHETCQGMZ-UHFFFAOYSA-N 290.775 3.930 30 20 CHED C#Cc1ccc(C(=O)OCc2ccc(CC(C)C)cc2)cn1 729030428 ZGFZEFTTWKPJKT-UHFFFAOYSA-N 293.366 3.618 30 20 CHED Cc1ccc(CNC(=O)Nc2ccc(C#N)c(F)c2)c(C)c1 576625517 DOGCQTUEDDEJNL-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C=CCCCCN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 572334539 OTBUBYOTQATTCY-CVEARBPZSA-N 263.425 3.624 30 20 CHED N#CCCC[C@@H](N)c1nc(C2CCCCCCC2)no1 822874705 FCDBYPBAFBOTOI-CYBMUJFWSA-N 276.384 3.591 30 20 CHED C=CCN(CCc1ccco1)Cc1c(F)cccc1F 495182474 IERVQOOOMRBCFF-UHFFFAOYSA-N 277.314 3.789 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2ccc(CC)cc2)c1 728482930 RKMODHVLGKOOPR-UHFFFAOYSA-N 291.394 3.826 30 20 CHED C=CC[C@H](CO)CN[C@H](c1ccccc1)c1ccc(C)cc1 495061408 DAMUSWGFLWMWRX-FXAWDEMLSA-N 295.426 3.859 30 20 CHED COc1cc2ccccc2cc1CN1CCC(CC#N)CC1 581706778 DKMGQAKZPPGZDL-UHFFFAOYSA-N 294.398 3.974 30 20 CHED C=CCCC(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 588018676 GJFLVOULZGCPFY-IBGZPJMESA-N 295.382 3.867 30 20 CHED C[C@@H](CCCC(F)(F)F)NC(=O)Nc1ccc(C#N)cc1 493207393 CHTMLYDBAGVLJW-JTQLQIEISA-N 299.296 3.801 30 20 CHED CC#CCCNC(=O)Nc1ccc(-c2ccco2)cc1F 490524443 QFGWZOSJMZXFHR-UHFFFAOYSA-N 286.306 3.621 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cncc(Cl)c1Cl 904228523 WIOCUJXVTXIRDR-MRVPVSSYSA-N 273.163 3.929 30 20 CHED CCCCC(COC)=NNc1ccc(OC(F)F)cc1 737434295 MLFSHTJHGLRRTH-UHFFFAOYSA-N 286.322 3.893 30 20 CHED CC(C)(C#N)COC(=O)C1(Cc2cccc(Cl)c2)CC1 835285491 UGBODRXNMNXPAD-UHFFFAOYSA-N 291.778 3.756 30 20 CHED Cc1ccc(-c2ccc(/C=C\C(=O)c3ccnn3C)o2)cc1 588595013 KXHXWVJXYDCKHE-CLFYSBASSA-N 292.338 3.885 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)/C=C\C1CCCC1 493645177 OPGOQECAMWDSAI-BSYHEUMXSA-N 284.359 3.662 30 20 CHED C=CC(C)(C)COC(=O)c1ccc(OC(=O)OCC)cc1 835722427 VHDNIHHHSJZXOM-UHFFFAOYSA-N 292.331 3.591 30 20 CHED O=C(/C=C\c1csnn1)c1cc2ccccc2s1 588534988 AJUCHSAHITYFKM-WAYWQWQTSA-N 272.354 3.649 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)c1ccc(C)o1 839892561 XMPBFQILXIHIEZ-WBVHZDCISA-N 297.398 3.995 30 20 CHED CC(C)Cc1ncc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)s1 905936203 TYHUYVLOSDGOFY-NWDGAFQWSA-N 292.404 3.581 30 20 CHED COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)C#CC(C)(C)C)c1 837524716 INRILTBIQXFVCF-PBHICJAKSA-N 299.414 3.654 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCC[C@@H]1C1CC1 839808117 URKVNCJEYACMOT-JKSUJKDBSA-N 261.409 3.513 30 20 CHED CC[C@H](C)N(C(=O)c1cc(C#N)ccc1C)[C@H](C)CC 904247280 DYSRWIWHESDPSH-OKILXGFUSA-N 272.392 3.906 30 20 CHED Cc1ccccc1S[C@H](C(=O)O)c1ccc(C#N)cc1 738785298 NWGSSYBFGNLKGN-HNNXBMFYSA-N 283.352 3.785 30 20 CHED N#Cc1cnc2ccccc2c1N1CCC[C@@H](C2CC2)C1 588855187 WJHKOWBVOUWXLU-CQSZACIVSA-N 277.371 3.733 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c2ccccc2n1 839048276 AAZDQNSCHBRLFB-UONOGXRCSA-N 294.354 3.782 30 20 CHED CN(C)c1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1Cl 903353762 GKLLUACPKGPTCM-WDEREUQCSA-N 263.772 3.510 30 20 CHED C#CCOc1ccc(CN[C@H](C)Cc2ccc(C)s2)cc1 738435257 DPMMKWBVOUWTOF-CQSZACIVSA-N 299.439 3.789 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1cnc2ccccc2n1 835348567 PIRZDQMPWCTDJW-MGPQQGTHSA-N 293.370 3.632 30 20 CHED C=CCCCCOC(=O)c1ccncc1C(F)(F)F 837704667 KWLPGVVCRMUIJX-UHFFFAOYSA-N 273.254 3.614 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(F)cc3cccnc23)C1 839053551 JIVPBQVOBZUHTL-RISCZKNCSA-N 298.317 3.613 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)OCc1ccc(CC#N)cc1 835273908 TVWQYFYJKXTQCL-CXAGYDPISA-N 271.360 3.622 30 20 CHED COc1ccc(O)c(/C=N/Cc2ccc(OC(C)C)cc2)c1 914558477 WLIAHVZKMSZQMS-XDHOZWIPSA-N 299.370 3.807 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)CCSCC 596433952 UCFCVFQRCQZSCM-GFCCVEGCSA-N 272.458 3.562 30 20 CHED C=CCCSCCNC(=O)N(C)[C@@H](C)CCCC 596716628 ZCGBQVHLGOQGMZ-ZDUSSCGKSA-N 272.458 3.516 30 20 CHED C=CC[C@@H](NC(=O)c1cccc2[nH]ccc12)c1ccncc1 747394917 AKOJANAVXRGVRA-MRXNPFEDSA-N 291.354 3.610 30 20 CHED C=C(C)CN(C)C(=O)CCSc1cccc(Cl)c1 675859101 CMUGNAIUUKVGNH-UHFFFAOYSA-N 283.824 3.857 30 20 CHED C[C@H](CCC#N)N1CCC(CCc2ccc(O)cc2)CC1 591011260 ZRFFDOGFDATUEH-OAHLLOKOSA-N 286.419 3.729 30 20 CHED COCCON=C1CCCC[C@H]1c1ccc(OC)c(F)c1 748791663 NYSAIELDLOWAET-ZDUSSCGKSA-N 295.354 3.511 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@H]1CCC(C)=C(C)C1 592587643 NXOPIKOXMWXBAE-AWEZNQCLSA-N 284.359 3.642 30 20 CHED C[C@H](C#N)N(Cc1ccc(Cl)c2cccnc12)C1CC1 595713543 KEAPBCJTDLDWLF-LLVKDONJSA-N 285.778 3.765 30 20 CHED CC[C@@H](C#N)Sc1nc2ccc(F)cc2s1 918932814 YKTUCWDARSIPEW-QMMMGPOBSA-N 252.339 3.830 30 20 CHED C[C@H](CNC(=O)CC1(C#N)CCCCC1)CC(F)(F)F 597775695 GRKJDHKGBNHTKX-NSHDSACASA-N 290.329 3.555 30 20 CHED C=C[C@@H]1OCCC[C@H]1/N=C\c1c(O)ccc2ccccc12 840708727 IWCRPCQEKHYJIA-PCSWAWGUSA-N 281.355 3.698 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)cc1 849242315 DEPGTJXJEFVQIM-YFHOEESVSA-N 296.370 3.588 30 20 CHED N#CC[C@@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 595529661 SQWZCIKYDXEQGL-INIZCTEOSA-N 291.439 3.682 30 20 CHED N#Cc1ccc(C(=O)Oc2cccc3ccccc23)s1 749309462 QNXTWVRFJWPROT-UHFFFAOYSA-N 279.320 3.992 30 20 CHED C[C@@H](C(=O)OCC1(CC#N)CC1)c1cccc(Cl)c1 744277580 UMLOCUFCOONOQJ-LLVKDONJSA-N 277.751 3.681 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 596742672 WRHUPWTXXZSRRJ-KGLIPLIRSA-N 262.397 3.545 30 20 CHED CCC(C#N)(CC)C(=O)N(C)CCCCc1ccccc1 599094292 GBZGRNUZMVYYEZ-UHFFFAOYSA-N 286.419 3.798 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)[C@@H]1C[C@H]2C=C[C@H]1CC2 842535058 BOIVEPRXXSNWBL-BJDJZHNGSA-N 260.303 3.505 30 20 CHED Cc1cc(C)c(NN=Cc2ccc(O)cc2)c(C)c1 916339700 SGQFBXRMZWOKMV-UHFFFAOYSA-N 254.333 3.763 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCSc1ccc(C)c(C)c1 594098111 SCMLYABACYMPFF-CQSZACIVSA-N 290.432 3.546 30 20 CHED CC(C)(C#N)Cc1cccc(-c2ccccc2CO)c1 596641090 BXHONYMLZOAOOS-UHFFFAOYSA-N 265.356 3.938 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCc2ccc(C(C)C)cc2C1 597963549 NBFPAQCJEZVXCG-GOSISDBHSA-N 284.403 3.635 30 20 CHED C=CCCSCCNC(=O)c1cc(C)c(C)cc1Cl 597966970 IGBKNTZKNJJSMB-UHFFFAOYSA-N 297.851 3.996 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 594091181 ZHRVXIJGGVXOEB-ZTFGCOKTSA-N 292.382 3.704 30 20 CHED C=C(Cl)CN1CCC[C@@H](Cc2ccc(OC)cc2)C1 741810247 JKIMWGDCWYSBRF-HNNXBMFYSA-N 279.811 3.702 30 20 CHED COCC[C@@H](C)C/N=C\c1cc(Cl)cc(Cl)c1O 840712188 XBHZFEKUTLJUMU-KYZBGHIMSA-N 290.190 3.791 30 20 CHED COc1cc(F)cc(NN=C(C)CCCCC#N)c1 841629656 QZHXNVNGUSTKFG-UHFFFAOYSA-N 263.316 3.706 30 20 CHED CCc1nocc1CSCCc1ccc(C#N)cc1 596368964 BNLVFFIKFGJURB-UHFFFAOYSA-N 272.373 3.585 30 20 CHED C=CCN(C(=O)Cc1cccc2ccccc12)C(C)C 914683504 QJZZGUBFNOGXCC-UHFFFAOYSA-N 267.372 3.805 30 20 CHED CC(C)Oc1ccccc1CN1CCC[C@@H](CC#N)C1 595615134 PDMJTVWCOKAVNS-HNNXBMFYSA-N 272.392 3.599 30 20 CHED C=CCCC(=O)OCc1cccc(OC(F)(F)F)c1 746535893 NGUITEMUWUUSDJ-UHFFFAOYSA-N 274.238 3.595 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1coc2ccc(Cl)cc12 845459326 ODIPSEKVBCZWOD-CYBMUJFWSA-N 277.707 3.791 30 20 CHED CC1(C)C[C@]1(C)NC(=O)N[C@H](CCC#N)c1ccccc1 596504915 QSJMZYSERAIDIB-PBHICJAKSA-N 285.391 3.519 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCC[C@H](CC#N)C1 595504422 IXZWNAAKJXHWSE-OAGGEKHMSA-N 291.439 3.538 30 20 CHED CCc1nc(S[C@@H](C#N)CC)c2ccccc2n1 594465255 CRUNIJLFBFUKKJ-SNVBAGLBSA-N 257.362 3.586 30 20 CHED C=CCCCC(=O)Nc1cccc(OC)c1Br 1342807175 NIRLDOGDTXWTSV-UHFFFAOYSA-N 298.180 3.753 30 20 CHED CCCc1ccc(CCCC(=O)NCC(C)(C)C#N)cc1 592785197 IYSBMVLQDMMUJB-UHFFFAOYSA-N 286.419 3.628 30 20 CHED CCCCCC[C@@H](C)NN=C(C)c1cnn(CC)c1 743449866 CAJQAXXHSXMOHR-CYBMUJFWSA-N 264.417 3.576 30 20 CHED CC(C)(C#N)CN[C@H](c1ccc(Cl)cc1)c1ccccn1 926873831 JKDPYEJRFVERRP-MRXNPFEDSA-N 299.805 3.964 30 20 CHED COc1ccc(CNN=Cc2cccc(OC(C)C)c2)cc1 921258132 LWTKVEMSUPJOAQ-UHFFFAOYSA-N 298.386 3.606 30 20 CHED C[C@@H]1CC(=NNc2nncc3ccccc23)C[C@H](C)C1 747742925 CAAJPBIUPFOKBA-TXEJJXNPSA-N 268.364 3.854 30 20 CHED N#Cc1ccc(N2CCCC3(CCOCC3)C2)c(Cl)c1 1336707347 KTYYOEACOVSCJC-UHFFFAOYSA-N 290.794 3.609 30 20 CHED CCCCCCCCC[S@@](=O)Cc1conc1C 849224109 YXQOTLRYUCARRT-GOSISDBHSA-N 271.426 3.982 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)c1cc[nH]c1 745195216 CAQBFEFUTYQICE-UHFFFAOYSA-N 268.345 3.584 30 20 CHED Cc1ccc(/C=C2/CCc3c(O)cccc3C2=O)s1 742434628 LEMUVSPHLXAHPG-LUAWRHEFSA-N 270.353 3.975 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)CCC1 683064373 KSMZUYFYACJTMU-NEPJUHHUSA-N 289.341 3.922 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C1/CC[C@@H](C)C1 753594287 SUWQNAXEQTYTQB-YGYTWAPGSA-N 284.359 3.642 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 758807278 BZPQURRHDZODKP-CQSZACIVSA-N 296.773 3.637 30 20 CHED C=C(C)COC(=O)[C@@H](C)Cc1cccc(Cl)c1 756346412 ZPIICLCHRJQXBA-NSHDSACASA-N 252.741 3.638 30 20 CHED C[C@@H](CC(=O)OCc1ccc(C#N)cc1F)c1ccco1 859817616 JKDRLFPODYHYAM-NSHDSACASA-N 287.290 3.527 30 20 CHED C[C@@H](COC(=O)CC1(C#N)CCCCC1)c1ccccn1 851093098 NHHBEMMUFIXKTI-AWEZNQCLSA-N 286.375 3.592 30 20 CHED Cc1ccccc1C1(C(=O)O[C@@H](C)CC(C)(C)C#N)CC1 851209733 JDHTYWLCSRXKHV-AWEZNQCLSA-N 285.387 3.898 30 20 CHED N#CCCCC(=O)OCCCCc1cccc(Cl)c1 856935735 FROXXSFVBHGOTL-UHFFFAOYSA-N 279.767 3.900 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)c1ccccc1 855006182 NDBKSUQCNBBONG-IPMKNSEASA-N 289.378 3.589 30 20 CHED C=C[C@H](C)NC(=O)c1cc2c3ccccc3n(C)c2s1 757005192 YGKCGUJSSYAWMR-JTQLQIEISA-N 284.384 3.697 30 20 CHED N#Cc1cccc(N[C@H]2CC3(CCC3)Oc3ccccc32)n1 757785744 FGXVZJBPEGQVAY-HNNXBMFYSA-N 291.354 3.812 30 20 CHED C=CC[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1ccncc1 759219454 YFGCQUIJXYDKKW-FMKPAKJESA-N 272.392 3.641 30 20 CHED N#Cc1ccc(F)c(CNCc2cc(Cl)ccc2F)c1 753851827 BXUDEKHVCMTZOY-UHFFFAOYSA-N 292.716 3.780 30 20 CHED CS[C@@H]1CCC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 922072663 MWXFILKXIWGBKM-ZMSDIMECSA-N 286.444 3.809 30 20 CHED N#Cc1cc(Cl)ccc1NCCc1cccs1 52856864 JCISCGFRUANLKN-UHFFFAOYSA-N 262.765 3.928 30 20 CHED Cc1cc(Cl)ncc1OCc1ccc(F)cc1C#N 753829011 BKSFJWDVQAQADY-UHFFFAOYSA-N 276.698 3.633 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccccc1Oc1ccccc1 754389612 GHLNPCPQXUTLFS-AWEZNQCLSA-N 279.339 3.621 30 20 CHED C#CCN(C(=O)Nc1cccc(-c2nc(C)co2)c1)C(C)C 930361449 QGUCQDRUFIWRER-UHFFFAOYSA-N 297.358 3.526 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c[nH]nc1-c1ccccc1 934985617 LBCHAAPTZHUTGY-LBPRGKRZSA-N 269.348 3.618 30 20 CHED C#CCN(CC)C(=O)C1(c2ccc(Cl)cc2)CCCC1 764514252 JZBWZHOXRVBPHH-UHFFFAOYSA-N 289.806 3.634 30 20 CHED CCCCCCCCC(=O)Nc1cnn(CCF)c1 862808839 TXUOBTBWJYLLKA-UHFFFAOYSA-N 269.364 3.542 30 20 CHED C=CCNC(=S)Nc1cc(C(F)(F)F)c(F)cc1C 865238374 LHFXBJDMDHZJID-UHFFFAOYSA-N 292.301 3.625 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(C#N)c(C)c2)c1 766455068 KYVFLXNPYCBKGU-UHFFFAOYSA-N 267.307 3.760 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc(Cl)n2)CCCC1(C)C 767229985 VKRHLXQGJXEUPP-CYBMUJFWSA-N 292.810 3.942 30 20 CHED C=C(C)CCOC(=O)[C@H](CC)c1ccc(F)cc1 764779380 PHDPVXVGGJVEBC-CQSZACIVSA-N 250.313 3.829 30 20 CHED CC#CCCOC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 765420120 SVNUNHHQQLHKKL-AWEZNQCLSA-N 296.366 3.909 30 20 CHED C=C1CCN(C(=O)Nc2cccc(Cl)c2C)CC1 864253073 MHPGSBPUZGGDAV-UHFFFAOYSA-N 264.756 3.832 30 20 CHED CCCCCCCCOCC(=O)Nc1cccc(O)c1F 762317770 BGFUGLFMKFYPMB-UHFFFAOYSA-N 297.370 3.847 30 20 CHED CO[C@@](C)(C=NNc1ccc(F)c(Cl)c1)C1CC1 863179391 VGHBLUOLCGKJCI-ZDUSSCGKSA-N 270.735 3.692 30 20 CHED C[C@H](CC(=O)OC[C@@H](C#N)Cc1ccccc1)c1ccco1 860592701 SMHBKZJSWSXMTI-GDBMZVCRSA-N 297.354 3.699 30 20 CHED C#CCCc1noc(CCCCOc2cc(C)ccc2C)n1 762016303 LTBVGPJNHOWRAS-UHFFFAOYSA-N 298.386 3.654 30 20 CHED CC(C)C[C@H]1CCN(C(=O)Nc2sccc2C#N)C1 864258193 PRTYLEQSRCZXSO-LLVKDONJSA-N 277.393 3.520 30 20 CHED FC(F)(F)C1CCC(C=NO[C@@H]2CCCCO2)CC1 767388674 VATPULZFNKOITD-HTAVTVPLSA-N 279.302 3.884 30 20 CHED CCCCNN=C(CC)CSc1ccccc1[N+](=O)[O-] 766696558 UVEYZFFMOTURIT-UHFFFAOYSA-N 295.408 3.843 30 20 CHED Cc1ccc(NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)cc1Cl 1117740051 YETKMQDBVINLQT-QWRGUYRKSA-N 294.782 3.937 30 20 CHED C=C(C)CN(C)C(=O)/C=C(/CC)c1ccc(C)cc1 778122737 UJRCYUANQPWLAX-PTNGSMBKSA-N 257.377 3.823 30 20 CHED C=CC[C@H](NC(=O)NC(C(C)C)C(C)C)c1ccncc1 770396805 QUPSDNVHHBBQOX-HNNXBMFYSA-N 289.423 3.679 30 20 CHED N#C[C@H](OC(=O)c1ccc(F)c(F)c1)C1CCCCC1 776362619 DGJHLMUKYZWJEX-AWEZNQCLSA-N 279.286 3.594 30 20 CHED C#CCOc1ccc(CNc2cc(C)n([C@H](C)CC)n2)cc1 776258708 UBHPPUPSYIMFHO-CQSZACIVSA-N 297.402 3.787 30 20 CHED CCNc1ccc(C#N)cc1NCC#Cc1ccc(F)cc1 776848503 DPIIFUWDPYQKCA-UHFFFAOYSA-N 293.345 3.593 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@H](C)[C@H]1CC)c1ccncc1 776150962 VNXVWURIRNZDGA-CWRNSKLLSA-N 287.407 3.529 30 20 CHED Cc1cccc(C=NNc2cc(Cl)ccn2)c1C 777906680 KJIRRVMITSOVJU-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CC(C)Oc1ccc(NCCCOC(C)(C)C)cc1C#N 771886329 VARCZKSSEMMCLO-UHFFFAOYSA-N 290.407 3.963 30 20 CHED C#CCCCCC(=O)N(CC)c1cccc(C)c1F 876315380 RKEIKIKQVAEMCZ-UHFFFAOYSA-N 261.340 3.681 30 20 CHED Cc1cc([C@@H](C)Nc2cccc(CC#N)n2)c(C)o1 1116290964 ZMJCHMAROBCECA-LLVKDONJSA-N 255.321 3.531 30 20 CHED CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NOC(C)(C)C 1116408811 NIDXRNKGQKYXCF-CYBMUJFWSA-N 298.427 3.967 30 20 CHED CC#CCCNC(=O)Nc1ccccc1SC(F)F 779350899 HMKLEZRPBLEQDI-UHFFFAOYSA-N 284.331 3.536 30 20 CHED Cc1ccc(F)c(C=NNc2cc(Cl)ccn2)c1 777906508 BKRUSIVBKFPBSR-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCC(CC)NN=C(C)[C@H]1CCN(Cc2ccccc2)C1 779772867 TVHVBWLYZBLGMU-KRWDZBQOSA-N 287.451 3.663 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(CCCC)cc1 775518425 VHWZBJIDKIMIIW-UHFFFAOYSA-N 258.365 3.563 30 20 CHED C=C(CC)COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 773496614 LNEVFFOTHRYHBF-QWRGUYRKSA-N 264.287 3.865 30 20 CHED C#Cc1cccc(N(C(=O)c2ccc(C(C)=O)o2)C(C)C)c1 772279218 QFKGECNKEDVMKY-UHFFFAOYSA-N 295.338 3.519 30 20 CHED C=CCOc1ccc(OC(=O)[C@H]2CC[C@H](C)C2)cc1 776332313 VBKBZGWKOFYBMR-STQMWFEESA-N 260.333 3.593 30 20 CHED CC(C)c1ncc(C(=O)O[C@@H](C#N)C2CCCCC2)s1 776397170 XFKMMOCOJBWACQ-LBPRGKRZSA-N 292.404 3.896 30 20 CHED C[C@H](COc1ccccc1)N[C@H](C)c1cccc(C#N)c1 776158375 FPMBHZSKQJPGSO-HUUCEWRRSA-N 280.371 3.676 30 20 CHED C=CCC[C@@H](NC(=O)N1C[C@H]2C=C[C@H]1C2)c1ccccc1 883525278 YSQYIAUNSOKIIQ-BHYGNILZSA-N 282.387 3.664 30 20 CHED C=C(C)[C@@H](N[C@@H](C)C(=O)OCCC)c1ccc(F)c(F)c1 775721397 XQAOLRYPKXSIHC-XHDPSFHLSA-N 297.345 3.513 30 20 CHED C=C1CCC(C(=O)N[C@@H](CC)c2nc(C)cs2)CC1 888822529 ALDQZHGJQIZLIN-ZDUSSCGKSA-N 278.421 3.765 30 20 CHED C#CCN(CC)Cc1ccc(Oc2ccccc2)o1 780757869 IVOMIWITESDCKK-UHFFFAOYSA-N 255.317 3.527 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc2ccccc2n1 780248943 BPUQYGJOGVRQAF-OAHLLOKOSA-N 297.402 3.506 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCCCCCC1 1121655820 KJAZZBITUITVNW-ZDUSSCGKSA-N 294.468 3.659 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3cc(F)cc(F)c3)cn2c1 789141961 ILZYOAHNXLSWRK-ARJAWSKDSA-N 298.292 3.817 30 20 CHED CCOc1cc(C=NNC2CCCCC2)cc(Cl)c1O 786041651 AQSRUHBOAOSIAE-UHFFFAOYSA-N 296.798 3.701 30 20 CHED CCc1ccccc1CC(=O)O[C@H](C)c1ccc(C#N)cc1 785888880 HQXFMOJDSGTZKI-CQSZACIVSA-N 293.366 3.968 30 20 CHED C=C(C)CCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 1122900209 PFUFDSBFLXZJKA-LLVKDONJSA-N 276.405 3.973 30 20 CHED Cc1cc(COC(=O)c2cccc(C)c2F)ccc1C#N 784142024 LEAZNDMFUXJGFT-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC1(C)C[C@@H](NN=C2CCCCc3ccccc32)CCO1 780246777 KKOAKAJNKQCMHF-HNNXBMFYSA-N 286.419 3.664 30 20 CHED C[C@@H]1C(=NNCCc2ccccc2F)CCC[C@H]1C 781125010 IODPZSFZJRZVQA-OLZOCXBDSA-N 262.372 3.770 30 20 CHED COCC(=NNCc1cnc2ccccc2c1)C1CCCC1 780236599 SVSLPBFKMKDMEK-UHFFFAOYSA-N 297.402 3.517 30 20 CHED C[C@@H](Oc1ccc(C(=O)OCC#N)cc1)c1ccccc1 788228768 UIYHRYAETHJEAV-CYBMUJFWSA-N 281.311 3.507 30 20 CHED C#CC[C@@H](C)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 1122723033 KVNDYLBYNFCUTB-QWHCGFSZSA-N 269.344 3.617 30 20 CHED Cc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)cnc1F 899367765 AGNWUKWHLZQAFM-AATRIKPKSA-N 287.338 3.511 30 20 CHED Cc1cccnc1SCCCOc1ccc(C#N)cc1 701360134 UPRWPRVANHSZPR-UHFFFAOYSA-N 284.384 3.823 30 20 CHED C=CC[C@H](NC(=O)NCC(C)(C)C(C)C)c1ccncc1 782972255 VBOKBFGRDQYSLN-HNNXBMFYSA-N 289.423 3.680 30 20 CHED CO[C@H](C(C)=NNc1cc(C)ccn1)c1ccccc1 782243538 YRIQCRVIARBXEC-MRXNPFEDSA-N 269.348 3.566 30 20 CHED CCCC(CCc1ccccc1)=NN[C@H]1CCCOC1 780259143 ZVHOGKZHEGXFFA-KRWDZBQOSA-N 274.408 3.544 30 20 CHED C=CCCCCCOC(=O)c1ccc([N+](=O)[O-])s1 781922830 NADVUODYWJGZLI-UHFFFAOYSA-N 269.322 3.560 30 20 CHED C=CCCCCNC(=O)c1cccc(Br)c1C 393834082 AKPMQQYQKFUAHC-UHFFFAOYSA-N 296.208 3.844 30 20 CHED CCCCC[C@@H](C)CC(=O)N1CCC[C@@](C)(C#N)C1 784747489 ROJKEZQLWAGPAY-ZBFHGGJFSA-N 264.413 3.745 30 20 CHED CC(C)(CC(F)(F)F)Nc1cc(C#N)sc1[N+](=O)[O-] 893373763 IHTSVJZYMUZTOI-UHFFFAOYSA-N 293.270 3.671 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H](CC)c1ccc(F)cn1 890889782 WKPMEVFYNCLEHG-ZDUSSCGKSA-N 265.328 3.817 30 20 CHED N#C[C@@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1 896504048 RNJSYKGSLKWNRK-HNNXBMFYSA-N 292.382 3.795 30 20 CHED C#C[C@H](NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21)C(C)C 799048177 YQZGPZUKAPCOTO-UXLLHSPISA-N 283.415 3.750 30 20 CHED Cc1ccc(C(=O)N2CCCC(C)(C)CC2)cc1C#N 799342655 NNLPRIQBGYGWEX-UHFFFAOYSA-N 270.376 3.519 30 20 CHED Cc1cccnc1NN=C[C@H]1C[C@H]1c1ccccc1 790185141 HPSXWSUWVFKGMG-CABCVRRESA-N 251.333 3.591 30 20 CHED CC[C@H](C)NN=Cc1cc(Cl)ccc1OC(F)F 790183046 JHGJYZILSOUSFU-QMMMGPOBSA-N 276.714 3.663 30 20 CHED O=C(/C=C/C=C/c1ccc(F)c(F)c1)c1cncs1 794704159 YYAZOJCWPJVHBR-ZPUQHVIOSA-N 277.295 3.874 30 20 CHED C=CCCCCC[C@H](C)NCc1cn2ccccc2n1 793513454 BQVPKOXWGLUJPD-HNNXBMFYSA-N 271.408 3.949 30 20 CHED CC(C)n1cc(N[C@@H](C)c2ccc(C#N)cc2)cn1 61682591 PUGMCPFWZDPQGW-LBPRGKRZSA-N 254.337 3.509 30 20 CHED N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 61889369 LIZWVRVKNWTVGT-QPUJVOFHSA-N 298.173 3.807 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(O)c2)c(C)c1OC 794740971 VUQZEXIQAVYDMC-CLFYSBASSA-N 298.338 3.614 30 20 CHED CC1(C)CCc2ccccc2C(=NNc2ncc(F)cn2)C1 797785957 AGGRHAYSFFWOHY-UHFFFAOYSA-N 298.365 3.794 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C1CC1 797570597 IMVUMJWFZSXNSJ-PMDBQALLSA-N 288.416 3.973 30 20 CHED C[C@@H](OC(=O)CCCOC(C)(C)C)c1cccc(C#N)c1 796961665 IGEROHABDQZCEL-CYBMUJFWSA-N 289.375 3.758 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2C#N)cc1C 799498169 GPOQRYXUGXHHOE-VQHVLOKHSA-N 277.323 3.771 30 20 CHED Cc1csc(C(=O)Nc2cc(F)cc(C#N)c2)c1Cl 720269349 VLDDCQAUTYKRLB-UHFFFAOYSA-N 294.738 3.973 30 20 CHED N#Cc1cc(F)cc(NC(=O)CCC2CCCC2)c1 720259019 DUKVDONGUXUHOU-UHFFFAOYSA-N 260.312 3.606 30 20 CHED Oc1ccccc1/C=N\CCc1ccc2[nH]ccc2c1 799743141 XGOYEMFMHMZVHB-PDGQHHTCSA-N 264.328 3.535 30 20 CHED C=CCNN=Cc1cc(Cl)c(OCCC)c(OCC)c1 795003647 PDIGFGGZWJIFGD-UHFFFAOYSA-N 296.798 3.637 30 20 CHED Cc1cccnc1NN=C1CCCC[C@@H]1N1CCCCC1 790186617 RAZFENRTUSMIQF-INIZCTEOSA-N 286.423 3.586 30 20 CHED CC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)c1nc(C)cs1 799333418 SGMHESOQKKCYIR-CQSZACIVSA-N 299.399 3.513 30 20 CHED Cc1cc(C#N)ccc1CSc1ncccc1C 588106299 RURLOCRSPPUXNR-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C[C@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 78832650 XNONRUOUCOACKB-ONGXEEELSA-N 283.297 3.963 30 20 CHED CC[C@H](C#N)C(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 1156316468 YCXSHHCSSZQIOF-MGPQQGTHSA-N 264.413 3.505 30 20 CHED C=CCN(C(=O)c1ccc2cc(OC)ccc2c1)C(C)C 1318267966 UFYMDSQUBJDHOT-UHFFFAOYSA-N 283.371 3.885 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1C)[C@H]1CC1(C)C 1310419056 OVVGEFANLGUFNJ-KGLIPLIRSA-N 285.391 3.813 30 20 CHED Fc1ccc(CNN=Cc2cccc(OC(F)F)c2)cc1 1319377784 SFMDZKXBIQJBFM-UHFFFAOYSA-N 294.276 3.551 30 20 CHED C=CCOc1ccc(/C=C\c2cc(C#N)ccn2)cc1OC 1321168565 BWSXFQHPRQNBOA-XQRVVYSFSA-N 292.338 3.697 30 20 CHED N#CCc1cccc(Nc2nc(C3CC3)nc3c2CCC3)c1 1326505089 VLTKLIZBUSGCNN-UHFFFAOYSA-N 290.370 3.652 30 20 CHED CCc1nc(C#N)cc(N(C)[C@H](C)c2ccc(C)cc2C)n1 1184990533 AWGOUSFEOPKOBJ-CQSZACIVSA-N 294.402 3.725 30 20 CHED C=CCCCc1nnc(-c2cc3c(s2)CCC3)o1 1327293144 FXJBQXTXLGQQMP-UHFFFAOYSA-N 260.362 3.796 30 20 CHED CC[C@@H](C)c1nnc(CSCc2ccc(C#N)cc2)o1 1257868510 OSKPJVJAPZACFJ-LLVKDONJSA-N 287.388 3.888 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCOC(C)(C)C2)CCCC1(C)C 1262620917 SYIHZOOVDCUNBH-CABCVRRESA-N 293.451 3.785 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1nc(C(F)(F)F)cs1 1348453315 BGYZZMWKQJFOIB-YUMQZZPRSA-N 277.315 3.505 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2cccc(CC#N)n2)c1 1261208186 JNEKIBFOPWSHLJ-OAHLLOKOSA-N 279.387 3.808 30 20 CHED Cc1ccc2oc(CNC(=O)c3sccc3C#N)cc2c1 1437741679 IUKLIIGTOYGOFO-UHFFFAOYSA-N 296.351 3.604 30 20 CHED Cc1ccc(CN(C)c2cccc(F)c2C#N)cc1 105791078 UYQOFGJRCMYHQO-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(N2CCCC2)cc1 1350850396 LXKIHJQPOWYABV-UHFFFAOYSA-N 272.392 3.828 30 20 CHED CC(C)Oc1cccnc1N[C@H](C)CC(C)(C)C#N 1351934188 GBLYNPQDCINWCJ-GFCCVEGCSA-N 261.369 3.609 30 20 CHED CCC[C@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F 1458166235 QIHBGGAQCHYFMY-GXTWGEPZSA-N 261.344 3.863 30 20 CHED CC(C)(CC#N)COC(=O)c1oc(C2CC2)nc1C(F)F 1525291535 FPCAOJSXRAGPID-UHFFFAOYSA-N 298.289 3.586 30 20 CHED C[C@@H](CC12CC3CC(CC(C3)C1)C2)NC[C@@H](C)C#N 1462075807 PSBQILNICUAJHD-UYYLIRDPSA-N 260.425 3.731 30 20 CHED CCc1ccc(CNCc2cccc(OCC#N)c2)s1 226192799 RTXXATPJWWTZOU-UHFFFAOYSA-N 286.400 3.503 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1ccc(Cl)s1 1602230580 MNQOBYWMHAODIP-UHFFFAOYSA-N 298.726 3.685 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1ccc(F)c(C#N)c1 1537433180 LRBSMSCPMYOLPR-KRWDZBQOSA-N 294.329 3.804 30 20 CHED N#Cc1cc(C(=O)OCc2cccc(C(F)F)c2)cs1 1531110932 RURDFFGPHFPYEY-UHFFFAOYSA-N 293.294 3.914 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CSc1cc(C)ccc1C 1617777410 YGONYZMRCBKQKB-CQSZACIVSA-N 290.432 3.546 30 20 CHED Cc1cccc(N(C)Cc2ccc(F)c(C#N)c2)c1C 1615219345 IDZCDOZVJQDOFI-UHFFFAOYSA-N 268.335 3.951 30 20 CHED C[C@H]1C[C@@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 1559069135 BRCHFCRXTYDVQG-QWHCGFSZSA-N 294.402 3.552 30 20 CHED C/C(=C\c1ccccc1C(F)(F)F)CN1CC(C)(C#N)C1 1560874923 SKARDCAAIUXHJV-KPKJPENVSA-N 294.320 3.954 30 20 CHED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)[C@@H](C)CC)n1 1640838430 NACIVIMLPQFMQI-QWRGUYRKSA-N 292.404 3.657 30 20 CHED C=C(Cl)CNCc1ccc(OCC(F)(F)F)c(F)c1 1657275745 RUCDSJAAZNYABI-UHFFFAOYSA-N 297.679 3.609 30 20 CHED N#CCc1ccc(CN2CCc3cccc(Cl)c3C2)cc1 1654685421 ZNNQAZVVKQTRHZ-UHFFFAOYSA-N 296.801 3.964 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(C#N)c1F 1659100340 FKXHDVMVLGGCIS-CYBMUJFWSA-N 293.345 3.762 30 20 CHED CCc1nnc(N[C@@H]2CCC[C@H](C3CC3)C2)c(C#N)c1CC 1655589080 QGTKKFCJGYTYTF-UONOGXRCSA-N 298.434 3.854 30 20 CHED Cc1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)ncc1C#N 1585003250 QIYJVNUEVBXGMO-HDJSIYSDSA-N 285.391 3.663 30 20 CHED C=C[C@H](C(=O)Nc1ccc(C)c(C(=O)O)c1)c1ccccc1 1588663436 GJCIARQCMNBEBC-HNNXBMFYSA-N 295.338 3.602 30 20 CHED Cc1cccc2c1CCN2C(=O)Nc1sccc1C#N 1663163246 JEYSIVAOUBVVAP-UHFFFAOYSA-N 283.356 3.523 30 20 CHED C[C@@H](CCC#N)CNC[C@@]1(c2ccccc2)CC1(C)C 1665299045 XYOXNHCQFMUKSD-MAUKXSAKSA-N 270.420 3.884 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)cc2)oc1C 1777418509 QXMPYRVXCZNWOQ-FIFLTTCUSA-N 296.322 3.890 30 20 CHED CC(C)[C@@H]1/C(=C/c2cc(C(=O)O)co2)C(=O)c2ccccc21 1776308847 QMPDTECLMKCROX-YMDFIQGPSA-N 296.322 3.997 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(C[C@H]2CCCC(C)(C)C2)C1 1776159147 STEFMJCAVHUOMO-WMLDXEAASA-N 279.424 3.556 30 20 CHED C=CCN(Cc1ccc(C(=O)O)cc1)Cc1ccccc1F 1776179872 LYBVTHONEPTLPN-UHFFFAOYSA-N 299.345 3.712 30 20 CHED C[C@@H]1C(=NNc2ccc(F)c(C(=O)O)c2)CCC[C@H]1C 1776062884 PJCJUKKZEYEYIE-ZJUUUORDSA-N 278.327 3.748 30 20 CHED CC(C)CCc1noc(CSCCCCC#N)n1 161648629 LNRRKKRLXXAKBK-UHFFFAOYSA-N 267.398 3.585 30 20 CHED CC#CCN[C@H](CC)c1ccc(Br)cc1 160558182 GPLHQWUKXPNMGP-CYBMUJFWSA-N 266.182 3.513 30 20 CHED N#CCC[C@H](Nc1cccc(F)n1)c1ccccc1 164327445 LTZGMFCYKXNIQI-ZDUSSCGKSA-N 255.296 3.678 30 20 CHED C=CCCS[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 151986879 AUDWBMRDUMJZQB-CHWSQXEVSA-N 275.417 3.662 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1ccc(OC)c(F)c1 153202764 MQGWWCQXEFOHLU-UHFFFAOYSA-N 277.339 3.566 30 20 CHED CC[C@@H]1c2ccsc2CCN1CCC(C)(C)C#N 157674745 HAAKOIZXCCVNTN-CYBMUJFWSA-N 262.422 3.997 30 20 CHED CC[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 157835399 SCQMCYJWODCFCH-KRWDZBQOSA-N 296.345 3.507 30 20 CHED N#Cc1ccc(C(=O)N(C2CCCC2)C2CC2)cc1Cl 154263357 UPQUGXPAPPRCBJ-UHFFFAOYSA-N 288.778 3.759 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)c(Cl)c1 154270437 RXPOVJPDPLRKMU-NHYWBVRUSA-N 290.794 3.862 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)Cc2ccccc2)cc1 154455482 VINRGKBYWBSABD-OAHLLOKOSA-N 280.371 3.609 30 20 CHED C=CCCCCCN(C)CC[C@H](O)c1ccccc1 808728037 MFGAOXMSAZIMBD-KRWDZBQOSA-N 261.409 3.788 30 20 CHED CC1(C)CC(C(=O)N2CCC[C@@H](C#N)C2)CC(C)(C)C1 928214652 QKVMZLVIWRIFJC-ZDUSSCGKSA-N 276.424 3.601 30 20 CHED Cc1ccccc1C[C@H](C)NCc1cccc(C#N)c1 37777060 XPMILSYESGAKHH-HNNXBMFYSA-N 264.372 3.588 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CCO1 286590191 UAXWXSJKVULEGW-SCZZXKLOSA-N 299.827 3.674 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1Nc1ncccc1C#N 301889843 QPHYAWCXFXVKOW-LRDDRELGSA-N 263.344 3.689 30 20 CHED N#Cc1ccc(Cl)cc1Oc1nc(Cl)c(C#N)s1 310871104 MAGAWOGGWHPANX-UHFFFAOYSA-N 296.138 3.986 30 20 CHED C#CCCCCNc1ccc(C(F)F)cc1[N+](=O)[O-] 311865505 RHYWTQRVEUSTIE-UHFFFAOYSA-N 268.263 3.748 30 20 CHED CC[C@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 610131723 JYBMXIHUCWBDNH-JQWIXIFHSA-N 263.772 3.987 30 20 CHED C=CCC[C@@H](CO)N[C@@H](CC)c1cccc(Cl)c1 321024460 OVOYKDFTEKYJHB-GJZGRUSLSA-N 267.800 3.708 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 424534013 DAWVSEARPFARGW-WFASDCNBSA-N 256.349 3.517 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 425553860 UEHZYNAKYBPDPP-ZYHUDNBSSA-N 276.767 3.976 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccn2C(C)C)c1 456975362 ZHXNAPQHIUYAMF-UHFFFAOYSA-N 267.332 3.501 30 20 CHED N#Cc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1F 362288314 RAJNAXRHYTZNJL-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#CCc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 343555650 DBLUIZHYBZXONY-GOSISDBHSA-N 262.356 3.700 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)c1)c1ccccc1F 50281111 DDNCOZARCSDXHF-LLVKDONJSA-N 269.275 3.615 30 20 CHED C=CCN(Cc1cccs1)Cc1ccc(F)cc1C#N 103139049 ZZULPFUYXCHUHJ-UHFFFAOYSA-N 286.375 3.947 30 20 CHED O=C(/C=C/c1cccnc1)c1ccccc1OC(F)F 57826269 DQKAHKRAOQDUMG-BQYQJAHWSA-N 275.254 3.579 30 20 CHED CC(C)(C#N)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 110814359 FRYZRXXYLXCNFY-UWVGGRQHSA-N 297.185 3.515 30 20 CHED C=CCCCC(=O)NCc1ccc(Cl)cc1OCC 179130425 CLZLOYVNLWCCKR-UHFFFAOYSA-N 281.783 3.711 30 20 CHED C#CCCCCC(=O)N(C1CC1)[C@H](C)c1ccco1 119691843 SNGIRDWWMVVVGL-CYBMUJFWSA-N 259.349 3.525 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1F 178794037 OMQORRZHQAHCSP-HOTGVXAUSA-N 292.423 3.851 30 20 CHED CC(C)c1ccc(CN(C)c2ccc(C#N)cn2)cc1 301072965 GAXSSKCIVZRDGN-UHFFFAOYSA-N 265.360 3.713 30 20 CHED N#Cc1cccc(SCc2noc(-c3ccsc3)n2)c1 177096767 RLKGYHORCLJUEX-UHFFFAOYSA-N 299.380 3.962 30 20 CHED N#Cc1ccc(Cl)cc1OC/C(Cl)=C/Cl 308671813 ADZKYOQNSDRKOF-WTKPLQERSA-N 262.523 3.909 30 20 CHED C/C(=N\OCc1noc(C(C)C)n1)c1cc2ccccc2o1 171729461 VCTPRYBYXAYUIN-WOJGMQOQSA-N 299.330 3.880 30 20 CHED C#Cc1cccc(NC(=O)N2CCCC[C@@H]2C(C)C)c1 119811332 LQMUIYQSNSEEOH-MRXNPFEDSA-N 270.376 3.710 30 20 CHED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(C#N)c1 301412250 AKCVMBSCMRUEIV-SNVBAGLBSA-N 282.734 3.651 30 20 CHED N#Cc1ccc(NCCc2c[nH]c3ccc(Cl)cc23)nc1 301478444 XLUPAAFTLBQXRL-UHFFFAOYSA-N 296.761 3.743 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2CCC2CCCCC2)nn1 301951849 JCOAFPJPSOEPKJ-MRXNPFEDSA-N 284.407 3.678 30 20 CHED Cc1ccc(CC(=O)N(C)c2cc(Cl)ccc2C#N)cc1 176434349 GQXXAAZTXYIZRX-UHFFFAOYSA-N 298.773 3.726 30 20 CHED C=C(C)COCCNc1cc(C)nc2c(F)cccc12 301727588 VXRLHJSJRHHQQZ-UHFFFAOYSA-N 274.339 3.687 30 20 CHED C=CC1CCN(C(=O)/C=C/c2nc3ccccc3s2)CC1 110361028 VJPRGQCZBYKSLY-BQYQJAHWSA-N 298.411 3.734 30 20 CHED N#CCN(C(=O)CC1CCC(c2ccccc2)CC1)C1CC1 409595062 OJCZTIZHRWBTJV-UHFFFAOYSA-N 296.414 3.865 30 20 CHED C=CCCOCCNc1cc(C)nc2ccc(F)cc12 301839978 XVFVSLFWWZHPGM-UHFFFAOYSA-N 274.339 3.687 30 20 CHED Cc1ncc(CSCCOc2cccc(C#N)c2)s1 68953513 WHZYMNVARVZLSG-UHFFFAOYSA-N 290.413 3.635 30 20 CHED N#Cc1ccc(CNC2(c3ccccc3)CCC2)c(F)c1 64337778 SOPMPKGFBFNUQL-UHFFFAOYSA-N 280.346 3.866 30 20 CHED C=C[C@H](CC(=O)N1CCCC[C@H]1C)c1ccccc1 122375030 VLIKIUHHUVBDSE-HUUCEWRRSA-N 257.377 3.747 30 20 CHED CCc1ccc(Nc2snc(C)c2C#N)cc1C 305964124 FTJWQXBPOFFCPU-UHFFFAOYSA-N 257.362 3.938 30 20 CHED C[C@H]1CC(C)(C)N(C(=O)CSCC#N)c2ccccc21 180315113 GZUCMIMXUHSTHQ-LBPRGKRZSA-N 288.416 3.562 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(C(=O)O)s2)c1 213229457 KHCSVESFNSKKTE-WAYWQWQTSA-N 272.325 3.651 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cccc(C(F)(F)F)c1 410136658 KBBGIPQVQUPRFD-ZDUSSCGKSA-N 285.309 3.719 30 20 CHED C=C[C@H](CC(=O)O[C@H]1CCc2cccnc21)c1ccccc1 189407255 ZLKUURUTWXLRJA-PBHICJAKSA-N 293.366 3.972 30 20 CHED C[C@@H](NCC(C)(C)c1cccnc1)c1ccc(C#N)c(F)c1 414331556 KFGCXWHAINEILD-CYBMUJFWSA-N 297.377 3.721 30 20 CHED C=CCCCCCN1CCO[C@@H](c2ccccc2)C1 486786907 GFVVXRAOVCLKKX-QGZVFWFLSA-N 259.393 3.806 30 20 CHED C=CCCCNc1ccc(C(=O)NC(C)C)cc1C 77245481 UIYAAYDQMGGULB-UHFFFAOYSA-N 260.381 3.511 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1 121384934 TZRWTKWWBWVOIH-SFHVURJKSA-N 275.351 3.800 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)c1ccc2ccccc2c1 180423893 ZCNGIBZFBMACMU-CQSZACIVSA-N 267.372 3.978 30 20 CHED Cc1ccccc1CC(=O)N(CCC#N)c1ccc(F)cc1 78385083 MXVHWWLQMSPNFD-UHFFFAOYSA-N 296.345 3.624 30 20 CHED N#CC1(CNCc2csc(Cl)c2Cl)CCC1 418143455 PNLYQEYMCPGQHF-UHFFFAOYSA-N 275.204 3.838 30 20 CHED CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1C#N 182231948 COBFDFKOOOEMDT-UHFFFAOYSA-N 296.374 3.677 30 20 CHED C=CCC1(C(=O)NC[C@H](C)Cc2cccs2)CCC1 188100152 ZUMRWFVWDNBEIO-CYBMUJFWSA-N 277.433 3.789 30 20 CHED N#Cc1cc(NCc2cc[nH]n2)ccc1Oc1ccccc1 189947642 LXUFTRVIYQXVLP-UHFFFAOYSA-N 290.326 3.686 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1c2ccccc2CC[C@H]1C 183402695 FOMXAUIBGOILIX-CZUORRHYSA-N 272.392 3.528 30 20 CHED C=CCC[C@H](NCCC1CC(OCC)C1)C1CC1 189260651 UNPKMBDMHJMNFT-BCLQGDPASA-N 251.414 3.526 30 20 CHED Cc1ccc(C(=O)OC(C)(C)C#N)cc1Oc1ccncc1 181829725 GQEPLJGFFOAZEB-UHFFFAOYSA-N 296.326 3.641 30 20 CHED C[C@H](CC(=O)N(C)[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 410893687 ZKSQLVUVOZTUTD-GHMZBOCLSA-N 298.308 3.569 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc(OCCC)cc1 410116055 ACELHOLSDIFDEE-INIZCTEOSA-N 289.419 3.879 30 20 CHED N#Cc1ccc(OCCOc2cnc3ccccc3c2)cc1 187907115 YVHITJRDSQOYGO-UHFFFAOYSA-N 290.322 3.564 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1cnc2ccccc2c1 187595006 KIBMAGHKKBGOJM-GOSISDBHSA-N 299.370 3.507 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 181839030 RWLSIDGQAGWUDC-UHFFFAOYSA-N 294.305 3.540 30 20 CHED C=CCN(C(=O)c1ccc(OC(C)C)nc1)c1ccccc1 75885422 TXVAGFGZADVNCQ-UHFFFAOYSA-N 296.370 3.702 30 20 CHED N#CCOc1cccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 315644053 ZKLDOSKADVBDNO-RXABAKJHSA-N 296.414 3.503 30 20 CHED C=CC[C@@H](C)NC[C@@H](C)Cc1ccc(OC)c(F)c1 185291834 UJJSZRNQKXMXSA-QWHCGFSZSA-N 265.372 3.567 30 20 CHED CC(C)c1ccc(C(=O)N2CCC(C#N)CC2)cc1Cl 189198820 WUOHNDXKNRISPS-UHFFFAOYSA-N 290.794 3.839 30 20 CHED C=CCC[C@@H](Nc1ccc(OCC)c(CO)c1)C1CC1 182903234 YRLTXILFPHEMMM-MRXNPFEDSA-N 275.392 3.734 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1CC1(C)C 416844933 UGNBGJWWWKWFCP-HUUCEWRRSA-N 285.391 3.699 30 20 CHED CC(C)[C@@H](C)[S@@](=O)CCC1(C#N)CCCCC1 414232841 DKAZVEJNUQJAJY-DYVFJYSZSA-N 255.427 3.644 30 20 CHED CCc1nc([C@H](C)/N=C(/O)[C@@H]2CCCOCC2)cs1 329893593 JNNTYOLSARXGNT-WDEREUQCSA-N 282.409 3.540 30 20 CHED C#CCCCC(=O)N1c2ccccc2CC[C@H]1CC 192370923 IWODCVAWVSQCLH-OAHLLOKOSA-N 255.361 3.548 30 20 CHED N#Cc1ccc(CN(Cc2ccnc(Cl)c2)C2CC2)cc1 195411639 MFTSRYJYPWHSQH-UHFFFAOYSA-N 297.789 3.771 30 20 CHED COc1ccccc1[C@H](C)NCC(C)(C)CCC#N 229670737 DXOOFSXZOCEXNI-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)Cc2ccccc2C)n1 519170882 XBMWUPVYKSCWPL-HNNXBMFYSA-N 279.387 3.922 30 20 CHED Cc1c(C(=O)[C@H](C#N)c2ccccn2)oc2c(F)cccc12 41493381 VCKKPRBXRVCVQX-GFCCVEGCSA-N 294.285 3.765 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCC1(N)CCCCC1 423185346 VHAXCTBYWURNSI-GOSISDBHSA-N 297.446 3.577 30 20 CHED C=CCN1CCC(N[C@@H](C)c2csc(Cl)c2)CC1 191273147 GMTCZDLHQISJQS-NSHDSACASA-N 284.856 3.703 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)cc1 336063510 YHAAXPXSDHVDRD-IUODEOHRSA-N 283.375 3.504 30 20 CHED C=CCN(CCC#N)[C@H](C)c1ccccc1Br 428861395 PZGNFAJSHXFATA-GFCCVEGCSA-N 293.208 3.912 30 20 CHED C=CCCCCCN1CC[C@H](CNC(=O)OC(C)(C)C)C1 193326783 QAGTYNMZYYGEDA-OAHLLOKOSA-N 296.455 3.579 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 332193733 GRSDIALYJXGFEK-GJZGRUSLSA-N 283.375 3.521 30 20 CHED Cc1ccc(F)cc1NC(=O)N1CCC(CCC#N)CC1 335470498 OXGHWNOSCQSLFX-UHFFFAOYSA-N 289.354 3.682 30 20 CHED CCCC[C@@H](CC)CNC(=O)C(C#N)(CC)CC 233020190 QHNJKRWKBZPXKH-CYBMUJFWSA-N 252.402 3.649 30 20 CHED C=C(CNC(=O)N(C)CCc1ccccc1)c1ccccc1 512671971 HZCFOELLGAQSEO-UHFFFAOYSA-N 294.398 3.584 30 20 CHED CC#CCN(C)C(=O)C/C=C\c1ccc(C(C)C)cc1 517425089 HREKLYHNVDKEBP-FPLPWBNLSA-N 269.388 3.695 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1c(C)cccc1Cl 334682422 NBQCRISEHOCFSK-OLZOCXBDSA-N 294.782 3.504 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(OC)cn1 338347520 AVGLDFQGEXBSAA-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)s1 346646285 WFQYRDFCPLPFKF-UWVGGRQHSA-N 269.797 3.540 30 20 CHED CC(C)c1nc(CNC2(c3cccc(C#N)c3)CC2)cs1 341208020 AXTKQPHTCLATRD-UHFFFAOYSA-N 297.427 3.917 30 20 CHED CCC(C#N)(CC)c1nc(CC2(C)CCCC2)no1 528196719 IVIIIUAZYBBDER-UHFFFAOYSA-N 261.369 3.774 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H]1CCC[C@H](CC)C1 435741345 OGKBKWZHEBCXGL-NXOAAHMSSA-N 265.441 3.774 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1CSCC 344673068 DXOFCFGQCBKXLW-UHFFFAOYSA-N 277.433 3.978 30 20 CHED C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)Oc1cccc(Cl)c1 248720212 CFCGZYJLWJMPCR-NFAWXSAZSA-N 292.810 3.779 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccnc(C#N)c2)C1 342412874 LPVWRKZMWYYDMF-HUUCEWRRSA-N 277.371 3.644 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCCC[C@H]2CC)CC1 600856460 ROVLPEXUZLOBTB-CABCVRRESA-N 264.413 3.563 30 20 CHED C=CCOc1ccccc1-c1nc(-c2cccc(C)n2)no1 346188872 YDGCFGLYXQIEOW-UHFFFAOYSA-N 293.326 3.672 30 20 CHED C[C@H](CCC#N)CNC(C)(C)CCc1ccccc1 602537465 QQYMSUXIEJRUPX-OAHLLOKOSA-N 258.409 3.927 30 20 CHED N#CCC1(CNC2(c3ccc(F)cc3F)CCC2)CC1 602804976 ISZYNKQAWXMCSM-UHFFFAOYSA-N 276.330 3.627 30 20 CHED C[C@@H](CC#N)NC(=O)c1cc2c(Cl)cccc2s1 604573764 GQMFUQVHXXEYGR-QMMMGPOBSA-N 278.764 3.587 30 20 CHED C=CC(C)(C)C(=O)Nc1nc2c(COC)cccc2s1 448905884 BGGVANWOKWBRKH-UHFFFAOYSA-N 290.388 3.593 30 20 CHED CCc1onc(C)c1NC(=O)C[C@H](CC#N)c1ccccc1 356562564 DWBQJRBZSPQYKW-AWEZNQCLSA-N 297.358 3.572 30 20 CHED CCc1nocc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 351759795 LQQKMBZQRVCGSG-WMZOPIPTSA-N 295.386 3.509 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccccc1)C(F)(F)F 530650657 XINSCLPJDUYTRL-ZDUSSCGKSA-N 271.282 3.763 30 20 CHED N#Cc1cc(Cl)ccc1SCCC1(O)CCC1 601914682 WXEDSOSIJPNFQC-UHFFFAOYSA-N 267.781 3.609 30 20 CHED N#Cc1cccnc1N1CC[C@H](CSc2ccccc2)C1 266204585 KIKYPIGIHNNOFL-AWEZNQCLSA-N 295.411 3.572 30 20 CHED C=CCN(CC=C)C(=O)c1c[nH]cc1-c1cccc(OC)c1 448544878 ZMJGVKLANQFHIR-UHFFFAOYSA-N 296.370 3.505 30 20 CHED C=CCOCCCC(=O)N1CCCc2cccc(CC)c21 443879822 NMRBCBVMOKHJGE-UHFFFAOYSA-N 287.403 3.511 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1cccc(SC(F)F)c1 264028346 BLSNHBCWCATDNH-VIFPVBQESA-N 299.346 3.625 30 20 CHED C=CCOCCCC(=O)Nc1ccc2nc(C)sc2c1 266211602 FYGBYMHWNPHVEJ-UHFFFAOYSA-N 290.388 3.526 30 20 CHED C[C@]1(C#N)CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 613889424 DYVGJDGYGOHXTJ-CQSZACIVSA-N 293.292 3.707 30 20 CHED COC(=O)c1cc(NCCCC(C)(C)C#N)ccc1Cl 610676777 ATPWVQUUSFULKV-UHFFFAOYSA-N 294.782 3.868 30 20 CHED C=CCN(C(=O)c1ccc(C2CCC2)cc1)[C@H](C)COC 617582050 FMLCTVQBJDWEHM-CQSZACIVSA-N 287.403 3.617 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/CC2(C#N)CCC2)cc1 263142190 OLDNVKJAPBIAPQ-CYBMUJFWSA-N 284.407 3.621 30 20 CHED CCC[C@@H]1C[C@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 619546493 SMLIFUBFFBEEPJ-BXKDBHETSA-N 297.185 3.783 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1CCOc1cccc(C#N)c1 610001889 KKBMHAHQTQBERL-QAPCUYQASA-N 286.419 3.838 30 20 CHED C[C@@]1(C#N)CCCN(C/C=C\c2ccc(F)cc2F)C1 612581961 BVUFJQDSRPQCFL-OUMXJLHTSA-N 276.330 3.604 30 20 CHED C=C(CC)CNCc1cc(Br)c(OC)s1 449733145 NSLNWUNNKSHXMM-UHFFFAOYSA-N 290.226 3.575 30 20 CHED Cc1cnc(OC(C)C)c(NCc2ccc(C#N)s2)c1 449355624 BOQMSKKMUBJVAB-UHFFFAOYSA-N 287.388 3.723 30 20 CHED CC(C)N(Cc1ccco1)C(=O)Nc1ccc(CC#N)cc1 264145132 PBRMORMDUDRGIA-UHFFFAOYSA-N 297.358 3.788 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1CSc2ccccc21 449358025 FGZLNGDQTWGGIA-CYBMUJFWSA-N 274.433 3.795 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc2occc2c1 617623604 JACUPWFTTKCJES-UHFFFAOYSA-N 257.333 3.651 30 20 CHED C=C(Cl)CNC(=O)C[C@H](c1ccccc1)C(F)(F)F 265595391 YTZCIIHBTHZLIW-LLVKDONJSA-N 291.700 3.591 30 20 CHED C=CCC1(C(=O)N2CCc3c(F)cccc3C2)CCCC1 450255944 NUJCAGAUZBFRLZ-UHFFFAOYSA-N 287.378 3.847 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](CC(C)(C)C)C1 457093170 URIDRKAYIPHQLT-CQSZACIVSA-N 274.408 3.572 30 20 CHED C=C(C)CCNC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 458997231 IYBKDLOCJWBIFK-OLZOCXBDSA-N 252.402 3.561 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1CC(F)(F)F 454878808 QQLDWBWRJZFZNO-UHFFFAOYSA-N 286.297 3.879 30 20 CHED CC#CCCNC(=O)N[C@H](CC1CCC1)c1ccccc1 361541955 UWYLJPZKPSPNGR-QGZVFWFLSA-N 284.403 3.631 30 20 CHED N#Cc1cc(F)c(N[C@H]2CCc3cc(C#N)ccc32)c(F)c1 618693486 IERIKJOBOSZDTG-INIZCTEOSA-N 295.292 3.808 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)CCC1 619201549 FRJKJOKLORPIJF-HZPDHXFCSA-N 291.435 3.541 30 20 CHED Cc1cc(C)cc([C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1 266483807 UHJVUKBHJFTQJF-BEFAXECRSA-N 294.398 3.559 30 20 CHED Cc1ccc(-c2cnc(CON=C3CCC3)o2)cc1 268470862 JFQZRAROQCUCBN-UHFFFAOYSA-N 256.305 3.707 30 20 CHED C=CCC1(C(=O)NC[C@H]2COc3ccccc32)CCCCC1 451809812 MRQGIKOHQFVHQP-HNNXBMFYSA-N 299.414 3.805 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 611142839 QRRQLCUABSKXOL-XPTSAGLGSA-N 299.201 3.905 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(C)n(C2CCCCC2)n1 452776593 RKZZEHZSJCGJFQ-UHFFFAOYSA-N 289.423 3.639 30 20 CHED N#Cc1ccc(CNC2(c3ccc(F)cc3)CCC2)s1 610511915 BOYOHXCRRZHVHX-UHFFFAOYSA-N 286.375 3.928 30 20 CHED C[C@@H](NCc1ccc(F)cc1F)c1ccc(C#N)c(F)c1 540710069 WDFMEGWZZNDPSP-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=CCCC1(c2nc(CC3CC(F)(F)C3)no2)CC1 453372780 VNEWHBHRNATREC-UHFFFAOYSA-N 268.307 3.655 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H](C)C2(C)CC2)c1 456011650 VAMVHQHIXJLOMP-LBPRGKRZSA-N 271.364 3.519 30 20 CHED C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(CC#N)cc1 270192533 CQDAKRRMEBOGQM-GFCCVEGCSA-N 296.395 3.574 30 20 CHED C=CCCc1noc(C[C@H](CC)c2ccc(OC)cc2)n1 453240370 UDHPPPLDZWDVIV-ZDUSSCGKSA-N 286.375 3.933 30 20 CHED C=C(CNC(=O)C1=CC[C@@H](C)CC1)c1ccccc1 456054927 SBQLFCBYZRFRSL-CYBMUJFWSA-N 255.361 3.562 30 20 CHED CC(C)[C@H]1CCCN1c1ccc2cc(C#N)ccc2n1 540078016 IPXDHTLFPKZWGJ-MRXNPFEDSA-N 265.360 3.731 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H](F)C3)c2c1 450603257 GSPRQNUUCJEKJD-NSHDSACASA-N 289.741 3.617 30 20 CHED CC[C@H](NC(=O)Nc1cccc(CC#N)c1)C(C)(C)C 455917909 KIBZCQXTZLTYBP-AWEZNQCLSA-N 273.380 3.699 30 20 CHED CC[C@H](CN(CC)C(=O)[C@@]1(C#N)C[C@@H]1C)c1ccccc1 450768550 VHICTOZKCRYCDO-HDMKZQKVSA-N 284.403 3.578 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cc(F)cc(F)c2)no1 273672342 HFJMOPPDPUTQMQ-VIFPVBQESA-N 280.274 3.669 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)cc2OCC)CCCC1 451351437 JAPLXSKOZFBXMP-UHFFFAOYSA-N 289.375 3.866 30 20 CHED CC(C)[C@@H](C(=O)Nc1cccc(CC#N)c1)c1cccnc1 456744178 GLXGXMNNXNPLFD-QGZVFWFLSA-N 293.370 3.526 30 20 CHED C=CCN(C(=O)Cc1ccc(F)cc1Cl)C(C)(C)C 622944164 HMZFPCQDHGBNIS-UHFFFAOYSA-N 283.774 3.835 30 20 CHED C[C@H](NC[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 453322061 QNLYSVVXKTYMDD-GOEBONIOSA-N 284.403 3.558 30 20 CHED CC#CCCNC(=O)Nc1cccc(C(F)(F)F)c1C 542704257 CFNFWMWSNCEXOM-UHFFFAOYSA-N 284.281 3.549 30 20 CHED Cc1cnc(C2CCN(CC(C)(C)CCC#N)CC2)s1 277485277 MZWNWTVPHUYLIG-UHFFFAOYSA-N 291.464 3.961 30 20 CHED CC(F)(F)c1ccc(CNCc2ccc(C#N)cc2)cc1 549833682 XJUJSORGKFRUAZ-UHFFFAOYSA-N 286.325 3.960 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cccc(OC(C)C)c1 620861381 NTMNRGJGEIXTKH-UHFFFAOYSA-N 289.419 3.877 30 20 CHED CCCCCCCC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 378089635 MRQYWZCLTNMOBZ-NVXWUHKLSA-N 293.451 3.907 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1CCCCS1)c1ccccc1 543129037 JFOBWLKTALFPKX-HOCLYGCPSA-N 289.444 3.748 30 20 CHED C=CC(C)(C)C(=O)N[C@H](CCc1ccccc1)C(F)F 628763609 FGKNLNAFNFHMPA-CYBMUJFWSA-N 281.346 3.581 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Br)cc1 467515157 WBMKOUHIYCYSIQ-CYBMUJFWSA-N 282.181 3.990 30 20 CHED COc1ccccc1CN(CCCCC(C)(C)C#N)OC 289670573 WPWWVBFHGXJPPD-UHFFFAOYSA-N 290.407 3.779 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)CCCC 555241394 YNGKATVGCMENRP-ZDUSSCGKSA-N 264.417 3.604 30 20 CHED CC(C)(C#N)C(=O)NCc1ccc(C2CCCCC2)cc1 558238136 ZVLSIICLBDEATD-UHFFFAOYSA-N 284.403 3.900 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](CCC)C1 466366927 NIRWWNWVEPFNSJ-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])c(C#N)c1 463652885 MGRPYTRZBXLATM-INIZCTEOSA-N 293.326 3.874 30 20 CHED CC#CCCCC(=O)NCc1csc2ccccc12 464552296 KFYFVFHMYJPUOD-UHFFFAOYSA-N 271.385 3.711 30 20 CHED C=C(CNC(=O)C[C@H](C)c1c(C)noc1C)c1ccccc1 286790244 RUGRNIYDYIBKRL-LBPRGKRZSA-N 298.386 3.615 30 20 CHED C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)[C@@H]1CCOC1 280897902 CFFQYRIFSUBJKO-VDGZZLJRSA-N 288.174 3.543 30 20 CHED C=C(C)CCc1noc(Cc2ccccc2OC(F)F)n1 285097509 KVTNEDVMTBBFKD-UHFFFAOYSA-N 294.301 3.771 30 20 CHED CCc1ccc([C@H]2CCCN(C(=O)[C@@](C)(C#N)CC)C2)cc1 557687754 QREYMOXPKZJMRP-PKOBYXMFSA-N 298.430 3.895 30 20 CHED N#CCN(C(=O)C(C1CCC1)C1CCC1)c1ccccc1 288354872 JEPONCHSINKZDF-UHFFFAOYSA-N 282.387 3.760 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cn1 639947956 YERFTAKXSARIRK-NSHDSACASA-N 299.296 3.673 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc2cccnc12 299691906 UUGZIBHSSKUYRZ-UHFFFAOYSA-N 269.348 3.665 30 20 CHED C=CCC[C@@H](O)CN1CCCC[C@@H]1c1ccc(C)cc1 472574068 MCETVNJPUZPBGH-QZTJIDSGSA-N 273.420 3.849 30 20 CHED C[C@H](C#N)OCCOc1ccc(Cl)c(C(F)(F)F)c1 801655904 OPDKAZHUKBRNRZ-MRVPVSSYSA-N 293.672 3.666 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CC[C@@H]2C2CC2)c1 806145730 FWHDTZYGHKHVKI-KBAYOESNSA-N 284.403 3.646 30 20 CHED N#CCCCC(=O)N[C@H](CC1CCC1)c1ccccc1 291919038 NDYVBSMEENXNTR-MRXNPFEDSA-N 270.376 3.728 30 20 CHED C#CCCCC(=O)N1CCC(C)(C)c2ccccc21 809358858 JCSZVYIWASLTHN-UHFFFAOYSA-N 255.361 3.504 30 20 CHED C=CCCCCNC(=O)c1ccccc1OC(C)C 471702871 QQPBUWRUWCMYNO-UHFFFAOYSA-N 261.365 3.560 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(cnn2C(F)F)c1 644801496 MKBNNNHYTCHNNR-UHFFFAOYSA-N 293.317 3.972 30 20 CHED Cc1ccc(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 293178158 SIQFAXSEHSMNFG-HOTGVXAUSA-N 284.403 3.531 30 20 CHED C=CC[C@H](C)NC(=O)NCCCCc1ccc(F)c(F)c1 477084147 JNUGOXUTDXCBAD-LBPRGKRZSA-N 296.361 3.551 30 20 CHED COc1ccc2c(c1)N(Cc1cc(C#N)cs1)CCCC2 569178116 VYRZCVRMJBYVQT-UHFFFAOYSA-N 298.411 3.971 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N([C@@H]3CC[C@@H](C#N)C3)C2)cc1 293951012 BTDDDMRJEDGFDQ-BURFUSLBSA-N 268.404 3.865 30 20 CHED C=CCC[C@H](N[C@H]1CCNC2(CCC2)C1)c1ccco1 643548476 PZRVBTHQODJXOY-GJZGRUSLSA-N 274.408 3.551 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(OC)c(Cl)cc1OC 297956786 WUBRTWWNZVAWDG-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C=CCCCCCCNC(=O)[C@H](C)Sc1ccccn1 805221337 OWGOSQCKRBCINE-AWEZNQCLSA-N 292.448 3.815 30 20 CHED O=C1/C(=C/c2cccs2)C[C@H](C(=O)O)c2ccccc21 806559353 ANWUHCQZKJQGID-PLWJUESGSA-N 284.336 3.586 30 20 CHED C=CCCCCCCCNC(=O)N(CC)C(C)C 809853084 ZSHGUPBEEXCGCQ-UHFFFAOYSA-N 254.418 3.953 30 20 CHED C#C[C@H](NC(=O)N(C)CCCC)c1ccc(Cl)cc1F 805778369 ABPZJOGGFDUKFK-AWEZNQCLSA-N 296.773 3.595 30 20 CHED C[C@H](C#N)N(C)C(=O)CCCc1ccc2ccccc2c1 297732826 GKLPBWTWGJCLIA-CQSZACIVSA-N 280.371 3.533 30 20 CHED Clc1ccc2c(c1)C(=NN[C@@H]1CCSC1)CCS2 807999508 OWFBNPZEPYYYAO-SNVBAGLBSA-N 298.864 3.635 30 20 CHED C=CCCCCCCNC(=O)Nc1cc(CCC)nn1C 806385561 KFDWQZYIAFMBHI-UHFFFAOYSA-N 292.427 3.631 30 20 CHED Cc1nsc(C)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1 292954785 JWPWHAFGMPHZBV-UHFFFAOYSA-N 299.399 3.813 30 20 CHED Cc1cc(N2CCC(c3ccc(F)cc3)CC2)cc(C#N)n1 804538070 FTBAVDNWQHGWHS-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(CC(=O)NC)cc1 648387249 XYTGFGQRKRUFPU-AWEZNQCLSA-N 274.408 3.522 30 20 CHED N#C[C@@H](C(=O)c1ccccc1)c1nc(C2CC2)cs1 647371738 XUGMGMKIAIJNLO-LBPRGKRZSA-N 268.341 3.511 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCc1ccc(OC)cc1 488860903 QRODNHARTSAIJS-INIZCTEOSA-N 287.403 3.585 30 20 CHED N#Cc1ccc2c(c1)C(=NNCc1cccc(Cl)c1)CC2 811643364 BOTHELGOWKEBMI-UHFFFAOYSA-N 295.773 3.652 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccc(F)cc2F)CS1 814686758 ZDWPXAUHOOGSAW-ZDUSSCGKSA-N 270.348 3.894 30 20 CHED CSCC[C@](C)(C#N)NC(=O)CCCC1CCCCC1 569502658 ONHFVKYGNYMLKF-MRXNPFEDSA-N 296.480 3.889 30 20 CHED CCCCCCCCC(=O)Nc1cccc2nc(O)[nH]c12 816653137 HPBMMPAPYOHBEY-UHFFFAOYSA-N 289.379 3.958 30 20 CHED CCCC(=NNc1c(F)cccc1F)c1cccnc1 814852987 WYVKJFQOIGJIOA-UHFFFAOYSA-N 275.302 3.976 30 20 CHED C=C(C)CNC(=O)NCC(c1ccccc1)c1ccccc1 488570799 DYBXMWIYPSPJJF-UHFFFAOYSA-N 294.398 3.694 30 20 CHED C=CCCCCCCCNC(=O)NCc1ccco1 811656690 SJYKKARAQAUJJH-UHFFFAOYSA-N 264.369 3.605 30 20 CHED CCOc1ccc(NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1 814984930 XWVBGFANVQJGJT-UHFFFAOYSA-N 299.330 3.830 30 20 CHED CSc1cc(C(=O)[C@H](C#N)c2nc(C)cs2)c(C)o1 659010672 VRIOUPXCAHOOEL-JTQLQIEISA-N 292.385 3.565 30 20 CHED Cc1nc(N2CCc3c(F)cc(F)cc3[C@H]2C)ccc1C#N 487749887 OBNGTTIBAJQXNK-LLVKDONJSA-N 299.324 3.664 30 20 CHED C=C(CNC(=O)N[C@H]1CCC[C@@H](C)C1)c1ccccc1 481141276 LNYJGVSXKSIMBM-CJNGLKHVSA-N 272.392 3.578 30 20 CHED C#Cc1cccc(NC(=O)c2ncsc2C(C)C)c1 810013987 TUVUIUBVGGJLIO-UHFFFAOYSA-N 270.357 3.500 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccsc1C 815126887 IFOZMKGITIMCNW-UHFFFAOYSA-N 275.348 3.820 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)c1ccccc1C(F)(F)F 654375414 OBLWAWNRRZTLNQ-NSHDSACASA-N 285.309 3.891 30 20 CHED C=C[C@H](C)NC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 488484670 VHFXTLUMOJEIEK-LRDDRELGSA-N 272.392 3.671 30 20 CHED C=CCC(F)(F)C(=O)N1CCc2ccccc2[C@H]1CC 815616919 BBDXPGHXKZJEFR-CQSZACIVSA-N 279.330 3.734 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCCOCC1CCOCC1 657886622 GEIHAPUCSAKHDT-ZWKOTPCHSA-N 295.467 3.544 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCCc2ccc(OC)cc21 653543865 DBKDLDYMGBSQPH-INIZCTEOSA-N 287.403 3.540 30 20 CHED FC(F)(F)c1csc(NN=C2C[C@H]3CC[C@H]2C3)n1 814868243 YFCMATMMIXALOL-BQBZGAKWSA-N 275.299 3.750 30 20 CHED COc1ccc([C@H](C)C(C)=NOCCC2CC2)cc1 814245124 SHXDJNNEOBDYQO-GFCCVEGCSA-N 261.365 3.991 30 20 CHED C=CCC(C)(C)C(=O)Nc1cncc2ccccc12 574828840 DWUDWBVKZBKDPV-UHFFFAOYSA-N 254.333 3.776 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 573807785 OYGYCGXFIXSRCW-COPLHBTASA-N 288.778 3.781 30 20 CHED CCN(Cc1ccc(F)cc1C#N)c1ccc(OC)cc1 728569866 ROBMCMJNFGKRTB-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C)c(C(C)=O)c2)CC1 578547299 ZJHHFDSVHJVUOX-UHFFFAOYSA-N 271.360 3.883 30 20 CHED C[C@@H]1CC(C(=O)NC2(c3cccc(C#N)c3)CC2)C[C@@H](C)C1 572980508 CKNKEZQFCLVQIL-KBPBESRZSA-N 296.414 3.736 30 20 CHED C=CCCCCNc1ccccc1CN(CC)C(C)=O 578847014 WZMZWZKGFWBIRE-UHFFFAOYSA-N 274.408 3.823 30 20 CHED C=CCC1(C(=O)Nc2n[nH]c3ccccc23)CCCC1 824624902 CFNWIBUYQDIFRY-UHFFFAOYSA-N 269.348 3.638 30 20 CHED Cc1cccc(C(=O)OCc2ccc(F)cc2C#N)c1C 728613742 TYDBFEKWQNWJGI-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=CCC[C@H](NC(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1 660939357 SSDQADAIAXLBDX-BBWFWOEESA-N 284.403 3.745 30 20 CHED C=CCCOC(=O)COC(c1ccccc1)c1ccccc1 729072604 PXVYBIULUPIVHF-UHFFFAOYSA-N 296.366 3.912 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCCC1CCCC1 726352504 WWVGRRZOFMAFQP-KTKRTIGZSA-N 269.344 3.695 30 20 CHED Cc1cccc(Cn2ccc(-c3ccc(C#N)cc3)n2)c1 728152437 LKZWAOGPEBBRJG-UHFFFAOYSA-N 273.339 3.779 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1cccc(C)c1 726739265 IRYLGAZJEGOGHZ-UHFFFAOYSA-N 292.342 3.881 30 20 CHED C=CCCCCNc1cc(F)c(F)cc1N1CCOCC1 583066338 LGSNSYNFWKYOAK-UHFFFAOYSA-N 296.361 3.570 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ccc(F)nc1 733922948 FXXQFQUHWKUBAB-ZDUSSCGKSA-N 280.387 3.947 30 20 CHED C#C[C@@H](C)N(C)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 491286662 IZOLSOXAQSMSJM-VXGBXAGGSA-N 297.320 3.679 30 20 CHED C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(CC#N)cc1 495107098 XUMOUHXGASLWHB-LLVKDONJSA-N 298.308 3.604 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1C(C)(F)F 905860362 BMGYLFPMZSHBEW-FZMZJTMJSA-N 295.329 3.718 30 20 CHED C=C[C@H](CC(=O)NCCCCCC(C)=O)c1ccccc1 909101505 SILOSTAZHDQYDR-MRXNPFEDSA-N 287.403 3.612 30 20 CHED CCc1ccc(COC(=O)c2ccccc2OCC#N)cc1 735344191 FIPFXRBDNOVBJO-UHFFFAOYSA-N 295.338 3.508 30 20 CHED N#Cc1ccc(OCCCON=Cc2ccccc2F)cc1 732194056 TUTBSQYCMONLOY-UHFFFAOYSA-N 298.317 3.517 30 20 CHED C=C(CNC(=O)[C@@H](SC)c1ccccc1)c1ccccc1 588776110 WERHWBUJEBGWDY-KRWDZBQOSA-N 297.423 3.920 30 20 CHED CC(C)c1ncsc1C(=O)OCCCC(C)(C)C#N 838054764 PWQDQNBEIILTMD-UHFFFAOYSA-N 280.393 3.753 30 20 CHED O=C(C#CC1CC1)N1CC2(CCCC2)[C@@H]1c1ccccc1 837697067 KNWJMTQMUGOJHC-SFHVURJKSA-N 279.383 3.544 30 20 CHED C=C[C@H](CC)Cc1nc([C@H]2CCC(F)(F)C2)no1 904069750 QDCOVTUQKGPNEC-ZJUUUORDSA-N 256.296 3.727 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1 833309577 CCROOOUPDLNAKM-VURMDHGXSA-N 288.249 3.559 30 20 CHED C=CCC(F)(F)C(=O)N(CC(F)(F)F)C1CCCC1 839296419 BSTQSHKCBOTNOH-UHFFFAOYSA-N 285.256 3.531 30 20 CHED C[C@H](COC(=O)c1cccc(C#N)c1)c1ccccc1 735123942 MEQVHFYBLYZVPZ-CYBMUJFWSA-N 265.312 3.519 30 20 CHED C=CCCCCCCCNC(=O)/C=C(/C)c1cnccn1 832855254 FBZMEYPNKBUVFN-SQFISAMPSA-N 287.407 3.523 30 20 CHED C=C(C)CN(C)Cc1c(F)ccc(C2OCCO2)c1Cl 838993329 KDBZEBOFCKBXAC-UHFFFAOYSA-N 299.773 3.532 30 20 CHED C=CC[C@@H](NC(=O)N(CCC)CCC)c1ccncc1 734681319 YYXHWFSQPZPILI-OAHLLOKOSA-N 275.396 3.530 30 20 CHED C#C[C@@H](NC(=O)Nc1c(C)cc(C)cc1Cl)C(C)C 836212653 WFDPPXDPNOMSDC-CYBMUJFWSA-N 278.783 3.736 30 20 CHED C=CC1CCN(Cc2nccc3ccccc23)CC1 678259889 IILNUNARISAHKM-UHFFFAOYSA-N 252.361 3.633 30 20 CHED C=CCCCOC(=O)CCOc1c(C)cccc1C 735528168 PPPJBYQGTVQYBU-UHFFFAOYSA-N 262.349 3.582 30 20 CHED C#CCC1(C(=O)N2Cc3cccc(F)c3C2)CCCCC1 838053641 PDDUDEJAHCAJRK-UHFFFAOYSA-N 285.362 3.642 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl 736238531 JZYOBOZBPSALSC-QMMMGPOBSA-N 292.593 3.966 30 20 CHED CC(C)(CN[C@@H]1CCCc2cc(C#N)ccc21)OCC1CC1 591248774 XIXFLMWCZGILCR-GOSISDBHSA-N 298.430 3.730 30 20 CHED C=CC[C@@H](OC(=O)c1cc2n(n1)CCCC2)c1ccccc1 835325322 UQOOXYCSXFJJKG-QGZVFWFLSA-N 296.370 3.694 30 20 CHED CCOC(=O)c1ccc(SCC2(C#N)CCC2)c(F)c1 592361250 RAQCAMCSAPKCPI-UHFFFAOYSA-N 293.363 3.788 30 20 CHED C[C@]1(CN[C@H]2CCc3ccc(C#N)cc32)CC1(Cl)Cl 834885756 XTVOFAFDEPEYTO-UONOGXRCSA-N 295.213 3.719 30 20 CHED CCCCC[C@@H](C)CC(=O)N(CC)C[C@H](C)C#N 742548581 LNFVHFAYHIWNNT-ZIAGYGMSSA-N 252.402 3.601 30 20 CHED CCN(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 596702390 SLKDBLGJWUAYPE-UHFFFAOYSA-N 284.403 3.899 30 20 CHED CC(Cc1ccsc1)=NNc1ccc(Cl)nc1 743450264 NZIJBWXQOIJZNR-UHFFFAOYSA-N 265.769 3.827 30 20 CHED CC(C)CCCCCC(=O)N[C@](C)(C#N)C(C)C 747907406 HKNHOOGQELVBSZ-OAHLLOKOSA-N 252.402 3.647 30 20 CHED N#Cc1ccc(C=NNc2nccc3sccc23)cc1 915980679 YXVURROPEAYPHV-UHFFFAOYSA-N 278.340 3.614 30 20 CHED Cc1noc(C)c1[C@H](C)NCCC1(C#N)CCCCC1 591023409 JCSQPJADKJOTLB-LBPRGKRZSA-N 275.396 3.806 30 20 CHED CCCCCCO[C@H](C)C(=O)N(CC#N)c1ccccc1 841087994 WPFZIQJTHWYDAI-OAHLLOKOSA-N 288.391 3.529 30 20 CHED CCC[C@@H](C)C(CC)=NNc1cccc(C(=O)O)c1 748246034 HQEMDOAMAKFBAT-LLVKDONJSA-N 262.353 3.999 30 20 CHED COc1ccc(F)cc1[C@H](C)/N=C\c1ccccc1O 915981198 NVQJCXIEMPPZQU-TZQXVGBESA-N 273.307 3.720 30 20 CHED Clc1cccc(Cl)c1C=NOCc1cccnc1 746587869 TXBHFJSJRQLKCD-UHFFFAOYSA-N 281.142 3.939 30 20 CHED C=C[C@H](C)ONC(=O)Nc1c(C)cccc1C(C)C 844484376 YBDNOORKABORCW-LBPRGKRZSA-N 262.353 3.746 30 20 CHED C=CCNC(=O)N1CCC(CCc2ccc(C)cc2)CC1 672954847 XWFPHYDIXYSFHG-UHFFFAOYSA-N 286.419 3.535 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OC(C)C)cc1C 679230557 OYUAMPGKHGJYBA-UHFFFAOYSA-N 276.380 3.822 30 20 CHED CC(C)c1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)cc1 596627728 GKAUYDYGMBWHQH-AWEZNQCLSA-N 285.391 3.968 30 20 CHED C#C[C@H](OC(=O)CC[C@H](C)OC)c1ccc(Cl)cc1F 842353852 QZNXLLWBZOZCOY-HZMBPMFUSA-N 298.741 3.512 30 20 CHED C=CCC(C)(C)c1noc(CC[C@H](N)c2ccccc2)n1 843235824 VRPWFPLIKUIWRJ-AWEZNQCLSA-N 285.391 3.556 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](C)c2cncc(F)c2)c1 840710661 LLUMJQJWFIBNMZ-FBRGWYAUSA-N 288.322 3.505 30 20 CHED C=C[C@H](C)ON=C(C)Cc1ccc(OC)c(OC)c1C 844620001 FQWXOIJNYOJBME-LBPRGKRZSA-N 277.364 3.522 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 593738030 KSXBOHTWWYTVOW-UXIGCNINSA-N 290.794 3.642 30 20 CHED N#CCC1(OC(=O)c2cccc(C3CC3)c2)CCC1 847705419 SOHSLXNGWWVXMS-UHFFFAOYSA-N 255.317 3.557 30 20 CHED CC[C@@H](C#N)C(=O)N(C)Cc1c(Cl)cccc1Cl 593399990 MLFIBRSEOVLQGM-VIFPVBQESA-N 285.174 3.502 30 20 CHED CS[C@H]1CC[C@@H](N=c2c(C#N)c[nH]c3c(C)cccc23)C1 742422114 WVUYAEVFCONVCP-KGLIPLIRSA-N 297.427 3.533 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccc(C(C)C)cc2)nn1C 841619480 OINXAZQQEUWYIR-CQSZACIVSA-N 284.407 3.537 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N1CCC[C@H](C#N)C1 928223217 YMPSYFUPAKDNOV-CNELAYHGSA-N 288.778 3.505 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(OCC)c(OC)c1 929379619 FFWDYZSGASKJMK-GFCCVEGCSA-N 277.364 3.635 30 20 CHED C#CCCCC(=O)O[C@H]1CCc2c(OCC3CC3)cccc21 758860562 DUPQMKDIHPBIJR-SFHVURJKSA-N 298.382 3.809 30 20 CHED C=CCCCNC(=O)N[C@H](C)c1c(C)cccc1C 684120946 REDQMXCLNKVJSL-CQSZACIVSA-N 260.381 3.630 30 20 CHED N#Cc1ccc(SCc2cscn2)c(Cl)c1 754720496 RCKXZJJLGLLKNG-UHFFFAOYSA-N 266.778 3.960 30 20 CHED CCc1ccc(CCC=NNc2ccc(Cl)nn2)cc1 758065900 AJNOGDLZKAFGHI-UHFFFAOYSA-N 288.782 3.723 30 20 CHED Clc1ccc(NN=C2CCC[C@H]2c2ccccn2)nc1 853438037 YPLACHWZVYHMQV-LBPRGKRZSA-N 286.766 3.866 30 20 CHED C=CCc1cc(CN(CC)C2CCCC2)c(O)c(OC)c1 754727013 FOQONPIAHXSCNS-UHFFFAOYSA-N 289.419 3.894 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1cc(F)cc(F)c1O 757473861 QNPIMOBBTHXERE-ZZXKWVIFSA-N 278.229 3.706 30 20 CHED CCCCCCCCCNC(=O)NC[C@@H]1CCCCO1 920344479 UGAIJXXRMKEEQP-HNNXBMFYSA-N 284.444 3.605 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccccc2)cc(C)c1O 920386067 PKIHUHZYBKWKIK-AWEZNQCLSA-N 268.360 3.694 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(Cl)nc2C)no1 924246577 HNQIVXFNAYDSGF-OAHLLOKOSA-N 291.782 3.871 30 20 CHED C[C@H](OC(=O)Cc1coc2cc(F)ccc12)C(C)(C)C#N 753621038 FSYQFOTYLLYECB-JTQLQIEISA-N 289.306 3.596 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc2ccccc2[nH]1 926532652 UVWYTMSBOBRGHV-MJEQTWJJSA-N 270.376 3.552 30 20 CHED C#CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 757003513 PGDVOEZZTXTRRG-MAUKXSAKSA-N 292.382 3.811 30 20 CHED C#CCN(C(=O)Nc1ccc(OC(C)C)cc1C)C(C)C 929850574 JVFXEIRWSBDVFY-UHFFFAOYSA-N 288.391 3.658 30 20 CHED C=CCN(Cc1cccc(SC(=O)N(C)C)c1)C(C)C 752282969 YMQFROXBYNXFSU-UHFFFAOYSA-N 292.448 3.857 30 20 CHED C#CCCCCNC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 753178807 HWKLETKFYKXLBR-MSOLQXFVSA-N 298.430 3.816 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2ccccc2F)c1 757465275 KUKDJAKSZASJGR-HJWRWDBZSA-N 281.286 3.624 30 20 CHED N#Cc1csc(C(=O)NCC2CCCCCCC2)c1 752296241 QKBKKOFAJUEOHM-UHFFFAOYSA-N 276.405 3.710 30 20 CHED CCCc1ccc(/C=C\C(=O)c2cc(C)on2)s1 857202710 RKGMCECXDCEPJG-FPLPWBNLSA-N 261.346 3.893 30 20 CHED CC(=NNc1cccc(C)n1)c1c(C)cc(C)cc1O 863159852 GVKWGZJDPVKQDO-UHFFFAOYSA-N 269.348 3.549 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@@H]1CCC[C@H]1C 769472978 HJSCDQNQZBPRKX-OLZOCXBDSA-N 289.350 3.603 30 20 CHED C#C[C@H](C)N(C)Cn1cc(-c2ccc(F)cc2)oc1=S 766665426 GDYDOOFDVOXMFY-NSHDSACASA-N 290.363 3.528 30 20 CHED CC(=NNc1ncnc2ccsc12)c1sccc1C 764835026 JWVXJPNZINNMCY-UHFFFAOYSA-N 288.401 3.897 30 20 CHED N#Cc1cc(CN2CCc3cc(Cl)ccc32)ccc1F 864027730 JCNGOGMAPQXSOO-UHFFFAOYSA-N 286.737 3.913 30 20 CHED N#Cc1cc([N+](=O)[O-])c(SCCC(F)(F)F)cc1F 865749642 UVJGBINFSLEBGG-UHFFFAOYSA-N 294.229 3.650 30 20 CHED N#Cc1cccc(NN=Cc2ccc(Cl)cc2)c1 767335977 KMSAUUUWEGLUJQ-UHFFFAOYSA-N 255.708 3.658 30 20 CHED CCCC(CCC)=NNc1nccc(N(CC)CC)n1 762607795 LEKCJZKHNRCKLA-UHFFFAOYSA-N 277.416 3.691 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cn1)c1cc(C)ccc1C 863080212 RTBMSUYNJFCOPR-UHFFFAOYSA-N 298.346 3.833 30 20 CHED C#Cc1ccc(C(=O)Nc2ccccc2SC(C)C)nc1 760812462 REVYCFZGSKZATD-UHFFFAOYSA-N 296.395 3.816 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](C2CC2)C1 764068495 JMKJMNGYRQCBNR-HNNXBMFYSA-N 251.414 3.996 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cccnc2)cc1OCC 62167022 VECLURIGOTULRX-VQHVLOKHSA-N 297.354 3.775 30 20 CHED CCCCCCCCCNC(=O)N[C@@H](C)C1CCOCC1 762062191 ONCWIVQPHWMBKK-HNNXBMFYSA-N 298.471 3.851 30 20 CHED O=C(O)c1cc(/C=C/C(=O)C2CCCCC2)ccc1F 863182071 YJQSRIIIHJZBDY-VQHVLOKHSA-N 276.307 3.687 30 20 CHED C#CCC(C)(C)C(=O)OCCCc1ccccc1C 767666327 QJGRFCIXUOILCV-UHFFFAOYSA-N 258.361 3.520 30 20 CHED Cc1cc(C)c(C=NNc2cccc(C#N)c2)cc1C 767360798 JXFFGRMEBPHRHM-UHFFFAOYSA-N 263.344 3.930 30 20 CHED Cc1cc(C#N)ccc1CSCC[C@@H]1CCOC1 1117975817 WROBLKQKCVATDH-ZDUSSCGKSA-N 261.390 3.527 30 20 CHED Fc1ccc(C=Nn2cnc3ccccc32)c(Cl)c1 767763274 UAFORGJKCRCGFA-UHFFFAOYSA-N 273.698 3.711 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1cc(C(C)(C)C)on1 1117950417 FUBGOHVCCBCBHZ-UHFFFAOYSA-N 298.342 3.509 30 20 CHED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 872133773 SOTLALZUSJBPIS-JVPBZIDWSA-N 294.398 3.721 30 20 CHED CO[C@H](C(=O)OCCCCC(C)(C)C#N)c1ccccc1 768594272 IFATVFORFZOOJQ-HNNXBMFYSA-N 289.375 3.637 30 20 CHED Cc1coc(C(=O)N(CCC#N)c2ccc(F)cc2)c1C 1117136776 LUBQVXAKKFBKGE-UHFFFAOYSA-N 286.306 3.596 30 20 CHED C#CCCCCCC(=O)N[C@H](C)Cc1ccc(C)cc1C 779907036 NZEKLZYIUPWOIY-QGZVFWFLSA-N 285.431 3.934 30 20 CHED CC(CCCCO)=NNc1nc2c(C)cccc2s1 872419413 HUGZBIIFHNQBCM-UHFFFAOYSA-N 277.393 3.555 30 20 CHED C=CCN(C)Cn1ccc(-c2cc(Cl)ccc2Cl)n1 777544917 VCYBHSJUKHAJHY-UHFFFAOYSA-N 296.201 3.932 30 20 CHED CC(=NNc1nc2c(C)cccc2s1)[C@@H]1CCCO1 872419731 SLGHYNONMRLOHC-NSHDSACASA-N 275.377 3.572 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)CC#Cc1ccccc1 1116272295 ZTFKQBWYOOAMIG-ROUUACIJSA-N 283.415 3.903 30 20 CHED CCOc1ccc(C=NOCc2ccc3c(c2)COC3)cc1 778020227 QXAOUWAOISPYEH-UHFFFAOYSA-N 297.354 3.666 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)OCC1(C#N)CC1 775874000 ZGBQMMSMEBYFSC-FLIBITNWSA-N 275.735 3.590 30 20 CHED CC(=NOCCC(F)(F)F)c1cnn(-c2ccccc2)c1 777458909 FTAYKVRHPBCFHG-UHFFFAOYSA-N 297.280 3.565 30 20 CHED C#C[C@@H](C)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 772974343 DYRMPZFPQRWBEM-CYBMUJFWSA-N 289.806 3.581 30 20 CHED N#C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C1CCCCC1 776362072 YKFUQUJKBOCJCQ-AWEZNQCLSA-N 292.766 3.551 30 20 CHED CC(=NNC[C@@H](C)C#N)c1ccc(-c2cccs2)cc1 771106793 IOGOEVOGRAXNLZ-LBPRGKRZSA-N 283.400 3.888 30 20 CHED CC(C)(C#N)OC(=O)Cc1coc2ccc3ccccc3c12 779223318 PMTHUDVSKQMEAR-UHFFFAOYSA-N 293.322 3.974 30 20 CHED Cc1cccc(C2(C(=O)OCCC(C)(C)C#N)CCC2)c1 776365153 UUYHEBHOBQIUJQ-UHFFFAOYSA-N 285.387 3.900 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C/C(=C/C)CC 778984638 HIDLDZDBDTYLAS-LBFPXSDCSA-N 273.376 3.749 30 20 CHED Cc1cccnc1CC(=NOC1CCCC1)C(F)(F)F 774609064 RWLDMMWWCJVPIU-UHFFFAOYSA-N 286.297 3.810 30 20 CHED Cc1ccc(/C=C2\CC(=O)Nc3ccccc3C2=O)cc1F 774146538 VBMBIJJQWOPZBW-MDWZMJQESA-N 295.313 3.743 30 20 CHED C=CCCC[C@H](N[C@@H]1CCn2ccnc2C1)c1ccccc1 883217241 DZEWDNZTJHXNEM-MSOLQXFVSA-N 295.430 3.885 30 20 CHED Clc1csc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)c1 782266906 FRZZSLYVXSPLMJ-HOTUBEGUSA-N 254.786 3.514 30 20 CHED C=C(CC)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 1123896695 PRLYCYOGYGTNBM-SNVBAGLBSA-N 291.782 3.702 30 20 CHED CCCCCC[C@@H](C)NN=C1CCOC2(CCOCC2)C1 884432392 CYKSGFGIDSAIKM-OAHLLOKOSA-N 296.455 3.651 30 20 CHED COc1cc(C=NOCCC2CC2)cc(Cl)c1OC 783552708 IICNTCNKHRKXDZ-UHFFFAOYSA-N 283.755 3.508 30 20 CHED C=CCSCc1c(C(F)(F)F)nn(C)c1Cl 782247011 XKYXSKDACJMDMC-UHFFFAOYSA-N 270.707 3.512 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)cc2)c2ncccc12 1124342866 UJMRPLVFBFLAAP-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=C1CN(C(=O)C[C@H](Cc2ccccc2)c2ccccc2)C1 898698268 IXRPYIWIHPDYJZ-IBGZPJMESA-N 291.394 3.801 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)/C=C/c1ccc[nH]1 782332886 PNZKCCBKNKYLQL-MDZDMXLPSA-N 294.354 3.572 30 20 CHED CC[C@@H](NCCCC#N)c1ccc(Br)cc1 271961152 FWFPVKGKYOONOC-CYBMUJFWSA-N 281.197 3.794 30 20 CHED C#C[C@@H](C)N[C@@H](CC)c1ccc(Br)cc1 166490975 GSKOCFYMGUNRDO-MFKMUULPSA-N 266.182 3.512 30 20 CHED CC(C)=CCCC(C)=NN1Cc2ccccc2C1=O 781598096 UXFCTWXASSJQLZ-UHFFFAOYSA-N 256.349 3.765 30 20 CHED CCc1onc(C)c1/C=C1/Cc2cc(C)ccc2C1=O 899351047 XZDCBYNBCZCFPJ-LCYFTJDESA-N 267.328 3.676 30 20 CHED COc1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)c(C)c1 899379962 DMOMNFPIBZXIAW-TWGQIWQCSA-N 296.370 3.821 30 20 CHED CC(CSC(C)(C)C)=NNc1ncccc1C 790193770 LYDBMZORVVYCCU-UHFFFAOYSA-N 251.399 3.710 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)CCCCC 798038408 XLYNYRYGYJSYIX-HUUCEWRRSA-N 281.440 3.690 30 20 CHED Clc1ccccc1CNN=C1CCCC12CCOCC2 799876335 NXFPIBQQGKCOAG-UHFFFAOYSA-N 292.810 3.766 30 20 CHED Cc1ncsc1/C=C/C(=O)c1ccnn1-c1ccccc1 798371890 GYLYHXIALVGABL-BQYQJAHWSA-N 295.367 3.533 30 20 CHED CC(C)c1occc1C(=O)OCc1ccc(CC#N)cc1 796398469 QMZUIADQFGBQPC-UHFFFAOYSA-N 283.327 3.826 30 20 CHED Clc1cccc(CC=NNc2cnc3ccccc3n2)c1 794902778 UNJUVJTWBYGWIX-UHFFFAOYSA-N 296.761 3.924 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NN[C@@H]1CCOC(C)(C)C1 797403482 OAROAGYSNFKVHI-BFHYXJOUSA-N 266.429 3.736 30 20 CHED COc1ccc(NN=CCc2cccc(Cl)c2)cc1 794923371 OOYKVKLVYZAARJ-UHFFFAOYSA-N 274.751 3.989 30 20 CHED CSCCON=Cc1cnc(-c2ccc(C)cc2)s1 794573141 SXUUBJSHMKJENK-UHFFFAOYSA-N 292.429 3.832 30 20 CHED CCN(CCc1cccs1)C(=O)c1ccc(C)c(C#N)c1 799307170 GKXUAFOIQSWKQA-UHFFFAOYSA-N 298.411 3.633 30 20 CHED C=CCN(Cc1csc([C@H](C)OC)n1)C(C)(C)C 661756137 DJOYPFMPLADLKB-NSHDSACASA-N 268.426 3.637 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)CCCCCC 798037025 URWYRDYMEDFIFA-JYJNAYRXSA-N 281.440 3.690 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2cc(C)ccc2C)[C@H]1C 794478970 BUWCRFQFPZHHRE-UONOGXRCSA-N 288.391 3.681 30 20 CHED O[C@H](CCON=Cc1ccc(Cl)cc1)c1ccccc1 795199137 IYYKBBQACWLCFC-MRXNPFEDSA-N 289.762 3.814 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(C(C)(C)C)s1 791200315 RKVUTFNAVRGCST-NSHDSACASA-N 263.406 3.577 30 20 CHED CCC1(CNc2snc(Cl)c2C#N)CCC1 84489401 KIIOVOSLNWRBHZ-UHFFFAOYSA-N 255.774 3.660 30 20 CHED C=CCCCOC(=O)CCOc1cc(C)cc(C)c1 735528515 RLEUCMLAWOZSAT-UHFFFAOYSA-N 262.349 3.582 30 20 CHED C[C@H]1SCC[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N 592001621 FROLNCUNWWHTJO-PWSUYJOCSA-N 275.421 3.557 30 20 CHED CC[C@H](C#N)C(=O)N(C1CC1)C1CC(c2ccccc2C)C1 1148514057 FGBVVURQWDCWJT-HPUBIQBYSA-N 296.414 3.782 30 20 CHED CC[C@H](NCc1cc(C#N)cs1)c1ccccc1OC 93492325 CIFGWQXSHHFEJH-HNNXBMFYSA-N 286.400 3.869 30 20 CHED C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccsc1 94591918 IWXMYZDTCPEGHU-VIFPVBQESA-N 273.317 3.701 30 20 CHED Cc1cc(N[C@H]2CC2(C)C)n2c(nc3ccccc32)c1C#N 1307141477 YPQWOCMIRGILIK-HNNXBMFYSA-N 290.370 3.878 30 20 CHED Cc1nsc(NC[C@H]2CCC[C@H]2C2CC2)c1C#N 1307141891 NVNGZNUBVSNESQ-NEPJUHHUSA-N 261.394 3.561 30 20 CHED CCN(Cc1ccc(C)cc1)c1cc(C)c(C#N)cn1 1306945309 YTSQPCSSYOPXFF-UHFFFAOYSA-N 265.360 3.597 30 20 CHED COCC1(Nc2nc(C(C)(C)C)ccc2C#N)CCCC1 1163710272 AQJTWCUJFGVWFX-UHFFFAOYSA-N 287.407 3.622 30 20 CHED CC[C@@H](C)[C@H](C)c1nnc(COc2ccccc2C#N)o1 1325754280 XTKATFLLTYAXOJ-NEPJUHHUSA-N 285.347 3.670 30 20 CHED N#Cc1ccccc1/C=C\c1nnc(C2CCCC2)o1 1326250082 CQYXKKVJVIWGRJ-KTKRTIGZSA-N 265.316 3.769 30 20 CHED C[C@H](c1cccc(F)c1)c1nnc(-c2cccc(C#N)c2)o1 1328429745 PVBOQEDFAPVJOU-LLVKDONJSA-N 293.301 3.899 30 20 CHED C=C(C)CCC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 1335737897 ANEUDMDMSHWUIW-UHFFFAOYSA-N 283.375 3.988 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1ccccc1Cl 1338983162 OGTUDJFPIZGKPS-NSHDSACASA-N 251.757 3.874 30 20 CHED CC[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)cc1OC 1196330176 VCCXXHCLPXHBCR-XJKSGUPXSA-N 272.392 3.720 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(SC)ccc1O 1347521753 KWDYFJYQDOLHER-GFCCVEGCSA-N 291.416 3.685 30 20 CHED CCc1ccccc1CCN1CCCC(C)(C)[C@H]1C#N 1194101607 NPDRDWNTSWYKGD-QGZVFWFLSA-N 270.420 3.806 30 20 CHED C#C[C@@H](NCc1cccn1C1CC1)c1ccc(Cl)cc1 1261256197 ZWDOUARZMUSIMD-QGZVFWFLSA-N 284.790 3.941 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H]1c2ccccc2OC[C@H]1C 1348274306 APGRVDPXBJQEJQ-MFKMUULPSA-N 282.286 3.511 30 20 CHED CCCC[C@H](C(=O)Nc1ccc(C#N)cc1)C(C)C 1352715789 XFVXHACGHZWGOM-HNNXBMFYSA-N 258.365 3.959 30 20 CHED CC[C@H](C)n1nccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 1435508485 JXWVFCRZAZGPGI-STQMWFEESA-N 297.358 3.644 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1cccc(OCC#N)c1 221888238 CCNFIIANVHYXST-DVOMOZLQSA-N 258.365 3.826 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 1521250550 XVKYYYZMAIHACO-LBPRGKRZSA-N 291.366 3.758 30 20 CHED N#Cc1ccc(NC(=O)CCCc2cccnc2)c(Cl)c1 1533459451 XORCDNPQKANHEL-UHFFFAOYSA-N 299.761 3.568 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCC2CCCC2)n1 1460435082 JBGHUKXNXOFWDP-UHFFFAOYSA-N 271.364 3.561 30 20 CHED COc1cc(C#N)ccc1CN(C)c1cccc(C)c1C 1473115159 LXUJICBVXWCGNX-UHFFFAOYSA-N 280.371 3.820 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)C1(c2cccc(C#N)c2)CC1 1530247536 YJFBVWSLQALAMY-JKIFEVAISA-N 297.398 3.958 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H]1CCc2ccc(F)cc21 1539799705 OWAPMRLKXMDZQP-KRWDZBQOSA-N 295.313 3.850 30 20 CHED C=C(Cl)CNCc1cnc(-c2ccccc2F)s1 1474018713 ZVNOPPHVDMNQJM-UHFFFAOYSA-N 282.771 3.791 30 20 CHED N#Cc1ccc(NCc2cc(Cl)cc3c2OCC3)cc1 228471823 XIPCFDNBBJOZMI-UHFFFAOYSA-N 284.746 3.759 30 20 CHED CC(=O)c1ccc(Oc2nc(C#N)c(Cl)s2)cc1 1639185891 HTAFBKINAQCXEK-UHFFFAOYSA-N 278.720 3.663 30 20 CHED N#Cc1ccc2c(c1)CCCN2C/C(Cl)=C/Cl 1645901197 RMIMAGVXMZPQJL-GHXNOFRVSA-N 267.159 3.630 30 20 CHED C[C@H]1CCCC[C@H]1N(C)CCc1ccc(C#N)cc1 1654152918 XTRGYYPIYVSCNX-WMLDXEAASA-N 256.393 3.611 30 20 CHED C=CCCCCCN(C)[C@H](C(=O)O)c1ccccc1C 1588799945 RHTZXVQYCOFJLT-INIZCTEOSA-N 275.392 3.799 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)c1ccc(C)s1 1776061915 VKTPLWVJDDEPBL-UHFFFAOYSA-N 292.335 3.730 30 20 CHED Cc1cc2c(s1)CCC2=NNc1ccc(C(=O)O)cc1 1776014267 OOSRLAWRJOHBFX-UHFFFAOYSA-N 286.356 3.517 30 20 CHED C[C@@H]1C/C(=C\c2cncc(C(=O)O)c2)C(=O)c2ccccc21 1776589638 PTTRBYLVVBKKFW-ZTFCMROMSA-N 293.322 3.553 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2ccccc2C2CC2)CC1 1776162248 OWBGTJLFYQHXST-UHFFFAOYSA-N 299.414 3.807 30 20 CHED Cc1ccccc1C1(C(=O)Oc2ccc(C#N)cc2F)CC1 158189226 HLOLXVGJHAVMNU-UHFFFAOYSA-N 295.313 3.643 30 20 CHED N#CCOc1cccc(N[C@H]2Cc3ccc(Cl)cc3C2)c1 158876957 GLZRROPOLCTOIF-INIZCTEOSA-N 298.773 3.822 30 20 CHED COc1ccc(F)cc1[C@@H](C)NCc1ccccc1C#N 160278196 RBKZOGPLLUOXAG-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=CCN(C(=O)c1cnn(CCCC)c1C)c1ccccc1 160762422 HAHRZQLTOGDNKV-UHFFFAOYSA-N 297.402 3.824 30 20 CHED N#Cc1ccc(COc2ccc(C=O)cc2)c(Cl)c1 163130662 UOVRWZNLEQSGDW-UHFFFAOYSA-N 271.703 3.603 30 20 CHED C=C(C)CN(CCC)C1CCN(C(=O)OC(C)(C)C)CC1 152628472 BWGAXNRNKNLISV-UHFFFAOYSA-N 296.455 3.674 30 20 CHED C[C@@H]1C[C@H](N(C)CCCCC#N)CCN1Cc1ccccc1 157070723 QQFKYVGGBQEODY-IEBWSBKVSA-N 299.462 3.665 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)c(C)c1 7333332 DJLJPZUAWQJGPM-AATRIKPKSA-N 286.352 3.959 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCc1ccccc1O 157981176 GPWVEPZCBPIMOG-UHFFFAOYSA-N 292.260 3.895 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCC[C@H]2O)c(C(F)(F)F)c1 156862987 ALJAEPRAEOLJQY-SMDDNHRTSA-N 298.308 3.540 30 20 CHED N#Cc1cccc(COc2cccc3cccnc23)c1 20296956 OBFKVMIOLPAXLW-UHFFFAOYSA-N 260.296 3.685 30 20 CHED N#CCc1ccc(NCc2c(O)cccc2Cl)cc1 127282770 LSAXNXOLEBBGAM-UHFFFAOYSA-N 272.735 3.724 30 20 CHED N#Cc1cnnc(NC(C2CCCC2)C2CCCC2)c1 853348722 JUANHOIXELRSPT-UHFFFAOYSA-N 270.380 3.509 30 20 CHED N#Cc1c(Cl)cc(Br)cc1Br 1875251717 OSTZQCIQRFHNNJ-UHFFFAOYSA-N 295.361 3.737 30 20 CHED CCCc1ccc(NCc2cccc(C#N)n2)cc1 876819525 BCLWKBXZWMCZNJ-UHFFFAOYSA-N 251.333 3.518 30 20 CHED N#Cc1ccc(OCCSCc2ccccc2)cc1 34651559 VQRYKLPVKXMSAV-UHFFFAOYSA-N 269.369 3.870 30 20 CHED C[C@H](CCNc1ncccc1C#N)c1ccccc1 60394043 YYNHQRKNTRNVGT-CYBMUJFWSA-N 251.333 3.559 30 20 CHED CCc1ccsc1C(=O)Nc1cc(C)cc(C#N)c1 308175789 AULAHAWLKWXBHQ-UHFFFAOYSA-N 270.357 3.743 30 20 CHED C=CCCC[C@H](C)NCc1cnc(C(F)(F)F)s1 443995281 QJTLATHBVLPJFN-VIFPVBQESA-N 278.343 3.996 30 20 CHED C=CCCCN(C)CCCC(=O)c1ccc(F)cc1 450423918 PKXXAYAZMXDSOW-UHFFFAOYSA-N 263.356 3.687 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C(=O)O)c(Cl)c1 380454601 FXJDPXIESDRELZ-UHFFFAOYSA-N 296.754 3.516 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc2c(c1)OCCCO2 695842950 NTFGRZMWHIXUED-LBPRGKRZSA-N 274.364 3.588 30 20 CHED CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1ccc(OCC#N)cc1 834894286 SASJYPFYFAGJMC-KMFMINBZSA-N 272.392 3.532 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 7740461 RLXDWPTTWUYVHK-BQYQJAHWSA-N 289.237 3.769 30 20 CHED O=C(O)c1ccc(NN=C2C3CC4CC(C3)CC2C4)cc1 7890650 NSADSASQCRECSV-UHFFFAOYSA-N 284.359 3.609 30 20 CHED C#CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 8570401 OKDUZQZGHBFMLD-UHFFFAOYSA-N 285.730 3.604 30 20 CHED CC[C@H](C#N)NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 102352912 CJOMZJOFQFBNFH-CHOZFAJLSA-N 296.292 3.527 30 20 CHED C=CCCC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 102328931 REYSRKYMZHODMV-UHFFFAOYSA-N 287.281 3.510 30 20 CHED C=C(C)CN(C)CCCc1cc(-c2ccccc2)no1 101559049 ZWRHIKDZGRLGAH-UHFFFAOYSA-N 270.376 3.782 30 20 CHED CC(C)[C@H](C#N)OC(=O)/C=C/c1cnc(C(C)(C)C)s1 176030440 UJJKGGQULGXIEL-SYTKJHMZSA-N 292.404 3.545 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(C#N)c2)c1 24957760 PGZVYOIUODWYSJ-CQSZACIVSA-N 278.355 3.666 30 20 CHED N#Cc1cccc(C[S@@](=O)c2ccc(Cl)cc2)c1 107929830 WEIDPSJWYMVTTK-SFHVURJKSA-N 275.760 3.519 30 20 CHED Cc1ccsc1/C=C1\Oc2cc(O)cc(C)c2C1=O 915989030 ULNKZMRQBJFFMS-GHXNOFRVSA-N 272.325 3.687 30 20 CHED N#CCC[C@H](C#N)CN[C@H](c1ccc(F)cc1)C1CCC1 119901529 COJYRIFFHXPTPT-DYVFJYSZSA-N 285.366 3.700 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2[C@H]3CCCC[C@@H]23)cc1 173881971 AGQJBMLREDSZIJ-XYPWUTKMSA-N 282.387 3.862 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C/c2cccc(OC)c2O)C1 176413772 DQMUSLIEUIKCPZ-GRSAQOKDSA-N 293.432 3.884 30 20 CHED CC[C@H]1CN(c2ncccc2C#N)CC[C@H]1c1ccccc1 301424939 GXBPHFJTCOFBTH-MAUKXSAKSA-N 291.398 3.973 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C 301425748 GOHBJTBNRFMQJD-UWVGGRQHSA-N 268.282 3.669 30 20 CHED Cc1cccc(CCC(=O)Nc2ccc(C#N)c(F)c2)c1 307957095 GRPAYAYVRYMENH-UHFFFAOYSA-N 282.318 3.577 30 20 CHED C=C(C)Cn1c(C(CC)CC)nnc1N1C[C@H]2C=C[C@H]1C2 1346296538 SHODANVJTOSRAQ-ZFWWWQNUSA-N 286.423 3.523 30 20 CHED CC(C)c1cccc(N/C(N)=N/Cc2ccc(C#N)cc2)c1 303871182 BNOYLSAXSBEXOJ-UHFFFAOYSA-N 292.386 3.608 30 20 CHED CCCO[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 118398928 HBOZKAYRFZJDBY-MAUKXSAKSA-N 286.419 3.900 30 20 CHED CCSc1cc(CNc2cccc(F)c2C#N)ccn1 302397754 JJJUQCDZKVVCIT-UHFFFAOYSA-N 287.363 3.816 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2c2ccc(C#N)nn2)cc1 301970131 RAUBIFZFXWEHDA-KSSFIOAISA-N 292.386 3.634 30 20 CHED CCCCCCCCCN(C)C(=O)C1(C#N)CCOCC1 171763461 QWLBPLNBDTVTPB-UHFFFAOYSA-N 294.439 3.516 30 20 CHED CCCN(CCc1csc(C)n1)Cc1ccc(C#N)cc1 119133461 WLKHRXKNGDYTSP-UHFFFAOYSA-N 299.443 3.778 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CC=CCC2)cc1 172404738 JXSUOLIEMFPUSU-CQSZACIVSA-N 283.375 3.718 30 20 CHED C[C@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 302129860 AUKGYAHYSFPDSP-NSHDSACASA-N 292.298 3.511 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCCC1)[C@H](C)c1ccccc1 177200220 MODLZBPJSCOHRK-LSDHHAIUSA-N 284.403 3.769 30 20 CHED C=CCOc1ccccc1CNc1ncnc2sccc12 301277668 SLCZMKCQHIARFG-UHFFFAOYSA-N 297.383 3.868 30 20 CHED CCCCCCCCCCC(=O)N1CCC(O)CC1 119949405 LCQYGSYJXGAZDE-UHFFFAOYSA-N 269.429 3.501 30 20 CHED C=CCC[C@@H](NC(=O)Nc1cnn(CC)c1)c1ccccc1 178824393 RUQDYOITOPULAT-MRXNPFEDSA-N 298.390 3.732 30 20 CHED N#Cc1ccc(CNC2(c3nccs3)CCCC2)s1 176971186 QFZJMBCJIRDJFU-UHFFFAOYSA-N 289.429 3.635 30 20 CHED C=CCN1CCC(N[C@H](CCC)c2ccsc2)CC1 187705647 KLFASDOIFAXKKA-MRXNPFEDSA-N 278.465 3.829 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C)c(C)cc1Cl 180397076 QNONOOBOHIXBLO-UHFFFAOYSA-N 263.768 3.771 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1cc(F)cc(F)c1 120188086 IGWGNJCYEXOYQB-SNVBAGLBSA-N 287.265 3.754 30 20 CHED Cn1cc(CNCC(C)(C)CCC#N)c(-c2ccccc2)n1 181825739 VISJWFJEMVMXMC-UHFFFAOYSA-N 296.418 3.507 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc2c(c1)OCO2 33472213 KHCRDAMISCDRCL-CLFYSBASSA-N 296.322 3.710 30 20 CHED N#Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1Cl 124733532 XSGWNLVNHGSHCW-NHYWBVRUSA-N 288.778 3.616 30 20 CHED C=CCN(Cc1cccs1)Cc1c(C)noc1C 78955481 IFDSIHPNWFSCBU-UHFFFAOYSA-N 262.378 3.541 30 20 CHED CCCCCCC(=O)NC(C#N)(CCC)CCC 121540114 KRLSYQAFRSLHQM-UHFFFAOYSA-N 252.402 3.936 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 183954612 MMCMFLGQJWCRGE-MRXNPFEDSA-N 295.386 3.516 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)/C=C\c1ccccc1C#N 213206064 KQAKCIGHKNNRCH-LLNWESEBSA-N 290.366 3.791 30 20 CHED C=CCN(C)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC 121499782 ZGPRXCZDODIDBM-KBPBESRZSA-N 274.408 3.645 30 20 CHED COc1ccc(OC)c(/C=C\C(=O)c2cccs2)c1 33409388 BHIDTVASTJJROF-ALCCZGGFSA-N 274.341 3.661 30 20 CHED N#Cc1ncc(NC(=O)C2CCCCCC2)cc1Cl 411032074 NBDAWQZZYLGZFO-UHFFFAOYSA-N 277.755 3.516 30 20 CHED Cc1ncc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 76153785 FPAYAFDUCXSMTQ-IRXDYDNUSA-N 297.427 3.723 30 20 CHED CC(C)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 125875779 KLENDKGMZCLABY-UHFFFAOYSA-N 278.355 3.616 30 20 CHED CCOc1cccc(/C=N/CCC[C@@H]2CCCCO2)c1O 184306959 BMGZJPXLLMOHRO-VUODPORTSA-N 291.391 3.559 30 20 CHED C=C(C)CNC(=O)Nc1ncc(-c2ccccc2)s1 122410751 KQBSZIUXWDOYAE-UHFFFAOYSA-N 273.361 3.508 30 20 CHED CO[C@H](C/N=C/c1ccccc1O)c1ccccc1Cl 121553357 YSZJUXNCBUUVNR-VHWUNXFSSA-N 289.762 3.852 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(C)cccc1SC 184947624 UFNXAXLNLJBXOE-UHFFFAOYSA-N 276.405 3.923 30 20 CHED N#Cc1ccc(Oc2ccsc2[N+](=O)[O-])c(Cl)c1 603600514 HZLNQMCSCRNGCS-UHFFFAOYSA-N 280.692 3.974 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCc2cc(Cl)ccc21 506189259 KOCNQKDPHBFTDW-XKQJLSEDSA-N 291.822 3.898 30 20 CHED C=CCC[C@H](NCc1nc(CCC)no1)c1ccccc1 180034648 JGDRPZQALAQQSC-HNNXBMFYSA-N 285.391 3.819 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416112294 VRAVCVOOCVCCFZ-DLBZAZTESA-N 296.414 3.878 30 20 CHED CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)c1ccc(C#N)cc1 186750362 DHIVPAGQLJDQJR-DOTOQJQBSA-N 270.376 3.593 30 20 CHED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1ccncc1 182246426 OLPFJZBQLMNHGU-ZZXKWVIFSA-N 289.281 3.622 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@@H]1OCCc2ccccc21 182601093 LOSNIUHGULRCBB-PBHICJAKSA-N 287.403 3.552 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)c1ccccc1F 493837073 SQOOEDQHTPYGDK-LLVKDONJSA-N 270.307 3.879 30 20 CHED N#CCOc1ccccc1C(=O)O[C@@H]1CC[C@H]2CCC[C@@H]2C1 187700942 CFVWEUZPPVWUFM-RBSFLKMASA-N 299.370 3.715 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)CCSCC)c1ccccc1 188344859 YLKWOAWPISDUHF-ZBFHGGJFSA-N 291.460 3.994 30 20 CHED CC(C)[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1 501599422 ADDBOTQLXRBXCL-OAHLLOKOSA-N 276.355 3.579 30 20 CHED CC#CCCCC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 416298834 ZIQXKAITPBWTOT-LSDHHAIUSA-N 263.425 3.853 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](C)[C@@H](C)CC 503057263 SZLZLFYKAJBXCY-HOTGVXAUSA-N 273.420 3.926 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1cccc2[nH]ccc12 78538639 LJMRBPIQYLZVDL-UHFFFAOYSA-N 298.390 3.962 30 20 CHED Cc1cc(C#N)cc(NCc2nc(C)sc2C)c1 453145971 LZUIGLSVEUWLAX-UHFFFAOYSA-N 257.362 3.552 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C)c1nnc(CC)o1 411264483 VCTXCJUDSAYYCA-CYBMUJFWSA-N 277.412 3.761 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 130953215 YFNQJDDTBSFVPK-GFCCVEGCSA-N 274.364 3.720 30 20 CHED C=C[C@@H](CC)OC(=O)c1cccc(NC(=O)c2ccco2)c1 181243864 XSVXKMPWKJCARQ-AWEZNQCLSA-N 299.326 3.653 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cccc(-c2nc(C)cs2)c1 183966827 KZAQGGHEXIAUFJ-AWEZNQCLSA-N 299.399 3.541 30 20 CHED COc1ccc([C@H](C)CCNc2nc(C)ccc2C#N)cc1 500289998 OOKWHQLIBLHKNS-CYBMUJFWSA-N 295.386 3.876 30 20 CHED C=CCNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 43932492 UPLUOZNCISUDDV-UHFFFAOYSA-N 293.326 3.802 30 20 CHED C=CCC1(C(=O)Nc2ccc(CN(C)C)cc2F)CCC1 412561119 SDPGKESUMYJGEI-UHFFFAOYSA-N 290.382 3.572 30 20 CHED CCO[C@H](CNCC(C)(C)CCC#N)c1ccccc1 194468112 VZAILVJVIMQORA-MRXNPFEDSA-N 274.408 3.684 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OCC)c(OC)c1 132767100 TVGWTWNRGPXYQN-UHFFFAOYSA-N 292.379 3.524 30 20 CHED CCN(CCC(F)(F)F)Cc1ccc(CC#N)cc1 612065619 RBRRGSBOETWPDC-UHFFFAOYSA-N 270.298 3.527 30 20 CHED C[C@H]1CC(=O)CC[C@@H]1C(O)=Nc1cnc2c(c1)CCCC2 329452947 MKBSUXSATPDBNT-NHYWBVRUSA-N 286.375 3.554 30 20 CHED Cc1ncncc1/C(O)=N/C1CCC2(CCCCC2)CC1 329950988 MDECJGDTFQXYOS-UHFFFAOYSA-N 287.407 3.983 30 20 CHED Cc1cc(CNc2snc(Cl)c2C#N)ccc1F 48554366 KDDPGFDLYPGAJO-UHFFFAOYSA-N 281.743 3.728 30 20 CHED C#CCOC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 195532720 FZNZGABHNUXQGG-CQSZACIVSA-N 281.355 3.504 30 20 CHED CC1(CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 428799668 KJLGBBDXNFKUCM-LBPRGKRZSA-N 297.185 3.864 30 20 CHED CC(C)[C@H](Nc1ccc(C#N)cn1)c1nc2ccccc2[nH]1 196443494 LNJTZHUZVPHIFM-INIZCTEOSA-N 291.358 3.639 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)CC 420878703 NVMVORCZLTVRGT-AWEZNQCLSA-N 287.407 3.526 30 20 CHED N#C[C@@H](C(=O)CCC1CCCC1)c1nc2ccccc2[nH]1 46440805 QHYBVHRMMNBBSM-ZDUSSCGKSA-N 281.359 3.710 30 20 CHED C=CCC1(C(=O)Nc2cc(F)c(OC)cc2C)CCC1 190369418 ODQZBWQJCVUMEQ-UHFFFAOYSA-N 277.339 3.828 30 20 CHED CC(C)C(C)(C)C/N=C(/O)N[C@H]1CCc2c(O)cccc21 331315719 DXDROVUXMWLKOM-AWEZNQCLSA-N 290.407 3.565 30 20 CHED CC(C)[C@H](C)Sc1c(C#N)cccc1[N+](=O)[O-] 425224149 CWBLWQIJRYQDBK-VIFPVBQESA-N 250.323 3.603 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC[C@@H](C)C1 425128844 LAWJSOKZIGSFQE-DVOMOZLQSA-N 270.376 3.514 30 20 CHED C[C@H](C#N)C(=O)N1CCC[C@H]1c1cccc2ccccc12 334831880 IGKHVWVHAWQOCS-DYVFJYSZSA-N 278.355 3.663 30 20 CHED C#CCCCC(=O)N[C@H](c1ccccc1F)C1CCCC1 192383019 XXIOGPHHWMVTBN-SFHVURJKSA-N 287.378 3.977 30 20 CHED CC(C)CC[C@@H](C)Nc1nccc(C#N)c1Cl 232570163 PTFMKBWJUNYGIQ-SNVBAGLBSA-N 251.761 3.843 30 20 CHED N#Cc1ccc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 332485624 NOGNQRUFICPIJX-OKZBNKHCSA-N 296.414 3.576 30 20 CHED Cc1cnc(N=C(O)[C@@]2(C)CCc3ccccc3C2)[nH]1 330319935 DRQNJCLLWFYQCH-INIZCTEOSA-N 269.348 3.501 30 20 CHED OC(=Nc1ccc2c(c1)CCO2)c1ccnn1C1CCCC1 330101351 HZKKZVVEESPIJQ-UHFFFAOYSA-N 297.358 3.569 30 20 CHED CC1(C)CN(C(=O)c2cccc(F)c2C#N)CC(C)(C)C1 427833323 GRYPVEBBHKETPC-UHFFFAOYSA-N 288.366 3.596 30 20 CHED CC1(C/N=C(/O)Nc2ccc([N+](=O)[O-])cc2F)CCCC1 330872984 YNWMSIXILMRCRA-UHFFFAOYSA-N 295.314 3.640 30 20 CHED CC[C@H](/N=C(/O)c1cc(C(C)(C)C)on1)C(C)C 330862692 AGBOSQHIHSRDAJ-JTQLQIEISA-N 252.358 3.711 30 20 CHED CSc1cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)ccc1Cl 335641610 UNNMMFRAFHRWOJ-ISVAXAHUSA-N 280.780 3.550 30 20 CHED Cc1ccsc1CN(CCC#N)CC(C)(C)C 93101173 KQDQREUSJHCCAE-UHFFFAOYSA-N 250.411 3.818 30 20 CHED Cc1nc(NCc2cc(Cl)ccn2)c(Cl)cc1C#N 432155816 GMJACEVSTMESQA-UHFFFAOYSA-N 293.157 3.576 30 20 CHED Cc1nnsc1/C(O)=N/C(CC(C)C)CC(C)C 331182127 XMAAYLJEIJCQOM-UHFFFAOYSA-N 269.414 3.612 30 20 CHED N#CCc1ccc(NC(=O)c2cnc3ccsc3c2)cc1 525118382 OVHNYBUNUIJXMU-UHFFFAOYSA-N 293.351 3.615 30 20 CHED CC1CCC(N(C)C(=O)C2(c3cccc(C#N)c3)CC2)CC1 435153963 AULJWSCAAQFLDG-UHFFFAOYSA-N 296.414 3.627 30 20 CHED COc1ccc(-c2ccc([C@H]3CCCN3)cc2)cc1C#N 600787890 HCOAVKSORMWGIA-QGZVFWFLSA-N 278.355 3.658 30 20 CHED COCCc1ccc(OCC2(CC#N)CC2)c(Cl)c1 600682818 QENYUYVLICEZLH-UHFFFAOYSA-N 279.767 3.602 30 20 CHED COC(=O)c1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1C 600848916 IUCGGKOEFPFNEE-ZDUSSCGKSA-N 294.354 3.826 30 20 CHED C[C@H](CCC#N)CNC[C@H]1CCCC[C@@H]1C(F)(F)F 602564680 BRAGXQRSBDDCAY-UPJWGTAASA-N 276.346 3.885 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)NCC(C)(C)CCC#N 345891933 UAGOGNNWKJTDFF-UONOGXRCSA-N 264.413 3.649 30 20 CHED CCO[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1(C)C 341712509 QFBATMIXPOTLKD-KZNAEPCWSA-N 298.430 3.729 30 20 CHED N#Cc1ccc(NCc2ncc(-c3cccs3)[nH]2)cc1 340843504 AIQMXPIQJJCRDJ-UHFFFAOYSA-N 280.356 3.622 30 20 CHED C=C(Br)CN(Cc1cccs1)C1CC1 52440111 LJMLAOSJWXASSQ-UHFFFAOYSA-N 272.211 3.621 30 20 CHED COCc1cccc(/C=C2/COc3c(F)cccc3C2=O)c1 255420800 HNULPFHNOVTNNZ-ZROIWOOFSA-N 298.313 3.631 30 20 CHED COCCCOc1cccc(/C=C\C(=O)c2ccco2)c1 255294289 SPOPVSGYSIDYCI-HJWRWDBZSA-N 286.327 3.591 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1CC#N 600890134 ABRIXDVRLMXYDD-HNNXBMFYSA-N 292.382 3.504 30 20 CHED Cc1noc(C)c1/C=C1/Cc2cc(Cl)ccc2C1=O 254929951 CSGSIFRXOPJUQR-XFFZJAGNSA-N 273.719 3.767 30 20 CHED CCCCOc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442859043 UOURCZZPEQKXHU-HIFRSBDPSA-N 258.365 3.970 30 20 CHED CO[C@@H]1CCOc2c(NC[C@@H](C)CCC#N)cccc21 602643882 NWSSCOXGTXYLTR-SWLSCSKDSA-N 274.364 3.508 30 20 CHED CS[C@H](CNCc1ccc(C#N)c(C)c1)C(C)(C)C 443985320 GVUUDZYXZPFISP-OAHLLOKOSA-N 276.449 3.734 30 20 CHED Cc1cc(F)ccc1OCc1ccc(F)cc1C#N 532844633 MLYCKZWTODQGML-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=CCN(C(=O)c1cccc(C(C)(C)C)c1)[C@H](C)COC 617584947 PASMIJRIZBGGMH-CQSZACIVSA-N 289.419 3.647 30 20 CHED C=C(C)CN(CC/C=C\CC)Cc1ccc(CO)o1 352816100 OMADLUARHCDQGF-WAYWQWQTSA-N 263.381 3.506 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCCC[C@H]2OC(F)F)CC1 449308233 VOMZTWJXKIWAND-DNCHLWJUSA-N 286.366 3.599 30 20 CHED C=CCN(C(=O)c1cc(C)c(C)cc1Cl)[C@@H](C)COC 617581700 XKAHHIWEUQLMKF-ZDUSSCGKSA-N 295.810 3.620 30 20 CHED C=CCCCCCn1ccc2ccc(F)cc2c1=O 352212971 DBGPKLYQYVVBDX-UHFFFAOYSA-N 259.324 3.887 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2cc(F)ccc2F)C1 617785931 PXOBXZHCXQSNFF-CYBMUJFWSA-N 293.357 3.712 30 20 CHED CC(C)Oc1ncc(Cl)cc1N[C@@H]1CC[C@@H](C#N)C1 449542543 MQXJVYREQMTBRU-ZYHUDNBSSA-N 279.771 3.626 30 20 CHED Cc1csc([C@@H](C)Nc2ncc(Cl)c(C)c2C#N)n1 612079437 GUPXFAPLLYRTLI-SECBINFHSA-N 292.795 3.853 30 20 CHED CC(C)(CC(F)(F)F)NC(=O)Nc1ccc(CC#N)cc1 614927959 WUTAKHWPNLABMB-UHFFFAOYSA-N 299.296 3.605 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1CCc2ccccc21 361022345 LJDCXBLQWLQDRT-ZDUSSCGKSA-N 266.319 3.839 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(Cl)c1 537230688 XBUAGGUWGCEVHW-LLVKDONJSA-N 251.757 3.815 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1=CC[C@H](C)CC1 455187626 SLHDHXUHAZUMOY-NSHDSACASA-N 254.333 3.552 30 20 CHED C=CCC(C)(C)CNC(=O)N(Cc1cccnc1)C(C)C 458806636 CDPYKHHMAGQAMZ-UHFFFAOYSA-N 289.423 3.604 30 20 CHED CC(C)(C)CN(CCC#N)CCCc1ccsc1 360961418 QOEIHZIUOAKDLI-UHFFFAOYSA-N 264.438 3.942 30 20 CHED CC(C)CCN(CCC#N)CCCc1ccsc1 360959109 FIRJNGFNDYGBQJ-UHFFFAOYSA-N 264.438 3.942 30 20 CHED N#CCCCC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 360783000 QFOACJRUZBFQGC-INIZCTEOSA-N 286.350 3.572 30 20 CHED N#CCCCC(=O)N[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 360543613 HSGDHCZOAJGDNQ-ZWNOBZJWSA-N 297.185 3.659 30 20 CHED CC(C)[C@@H](C)N(C(=O)N[C@@H](C)c1cccc(C#N)c1)C1CC1 610664040 COXWGUKTEBHNRC-UONOGXRCSA-N 299.418 3.838 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273495025 XMRKKEZXDTYQLM-IAOVAPTHSA-N 277.383 3.990 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1ccc(C(C)(C)C)cc1 548988085 ZPSNEGSFIWHLKV-UHFFFAOYSA-N 293.370 3.812 30 20 CHED C[C@]1(C#N)CCCN(c2nc(-c3ccccc3)cs2)C1 612106957 KERYIILWVCNWLQ-MRXNPFEDSA-N 283.400 3.940 30 20 CHED CC(C)(C)OC(=O)CCSc1ccc(C#N)cc1F 450497118 BWESVEAEAZASSF-UHFFFAOYSA-N 281.352 3.521 30 20 CHED C=C[C@@H](C)NC(=O)Nc1c(C)cc(Br)cc1C 362616217 WOZNEWWYSFHHKZ-SNVBAGLBSA-N 297.196 3.762 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C)nc1C1CC1 455996681 PLMDGEOTOAVOTG-LBPRGKRZSA-N 272.392 3.742 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@H](C)c1ccco1)c1ccccc1 270458065 TWXUMBRIALOBFU-ZBFHGGJFSA-N 296.370 3.747 30 20 CHED C=C(C)CCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 459671208 WBQSOKSQOOIEMA-CYBMUJFWSA-N 291.357 3.634 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 455308637 JUVRYSOJVWKSFR-HZPDHXFCSA-N 286.419 3.849 30 20 CHED CC(C)CN(C(=O)CSCC#N)c1cccc(Cl)c1 456802906 QYCFRRHGOJTUPX-UHFFFAOYSA-N 296.823 3.586 30 20 CHED CC(C)[C@@H](NC(=O)[C@@H](C)C#N)c1ccc(C(C)(C)C)cc1 549140384 HOCHVUVEZCAJBH-XJKSGUPXSA-N 286.419 3.957 30 20 CHED CC(C)(C#N)CCN[C@H](c1ccccc1)c1nccs1 272044146 RRBPUGKMXZLTHP-CQSZACIVSA-N 285.416 3.762 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H](c2ccccc2)CC1 455313442 QCEBAVAXQBEKFW-KRWDZBQOSA-N 286.419 3.932 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C1CC1 546216390 CAQOJJVCXDVBDN-AWEZNQCLSA-N 298.430 3.986 30 20 CHED CC(C)(CC#N)CNCc1nc(-c2ccccc2)cs1 459737785 WSJDALCAIAANAF-UHFFFAOYSA-N 285.416 3.840 30 20 CHED Cc1ccc(-c2n[nH]cc2CN2CCC(CC#N)CC2)cc1 543778818 VJUCFGWFBKYKKF-UHFFFAOYSA-N 294.402 3.511 30 20 CHED CC(C)(C#N)CC(=O)Oc1cc(Cl)ccc1Cl 278339202 VYCGRLUCKNXDSO-UHFFFAOYSA-N 272.131 3.839 30 20 CHED C=CCN(CC=C)C[C@H](C)Cc1ccc(OC)c(F)c1 546308263 NAHQSGDESNGWKX-CQSZACIVSA-N 277.383 3.687 30 20 CHED CC1(C)CCC[C@@H]1NC1CCN(c2ccc(C#N)cc2)CC1 368615861 RKPVUKGHKVPXHW-SFHVURJKSA-N 297.446 3.695 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)CCc1ccncn1 277391384 GBLGBURASGMQAA-OAHLLOKOSA-N 291.439 3.522 30 20 CHED C=CCCC(=O)COc1c(F)cccc1Br 629239944 YNMZIDADHCSBPG-UHFFFAOYSA-N 287.128 3.502 30 20 CHED Cc1nc(C)c(C[S@@](=O)CCCCC(C)(C)C#N)s1 277994521 UNYAPTDYZOHGNV-IBGZPJMESA-N 298.477 3.729 30 20 CHED C=CCC[C@H](C)Nc1ccc(C)c(-c2nnnn2C2CC2)c1 544600245 IZWPLDAHCOZBIS-ZDUSSCGKSA-N 297.406 3.750 30 20 CHED C#CCC1(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)CCCCC1 376162431 YULFZJLBGUXIEX-HOTGVXAUSA-N 273.420 3.609 30 20 CHED CC(C)c1ccc(CNc2nc3ccccn3c2C#N)cc1 542973288 UQEBWOLERYIJPM-UHFFFAOYSA-N 290.370 3.941 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(CC#N)CC2)C1 541968610 ROMCFVSYIBWFBE-HZPDHXFCSA-N 291.439 3.536 30 20 CHED Cc1ccnc(N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1C#N 544146650 SMHXBSXRUXNTHN-YVEFUNNKSA-N 295.361 3.988 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc2c(C)cc(=O)oc2c1 288616276 JCOUCFPTKYOAQW-SFHVURJKSA-N 299.370 3.667 30 20 CHED C=CCCC(C)(C)NC(=O)c1c(F)c(F)cc(F)c1F 622980760 KVFVFOLHYZIEBN-UHFFFAOYSA-N 289.272 3.718 30 20 CHED CC[C@H](N[C@@H]1CCCC12CCOCC2)c1ccc(C#N)cc1 282697582 KSIOJKMTEWXTJB-ZWKOTPCHSA-N 298.430 3.948 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](c1ccc(OC)nc1)C1CC1 624346776 YZFYTXPKDCSIBN-GDZNZVCISA-N 274.408 3.732 30 20 CHED CC(C)[C@H]1C[C@@H](NCc2cc(C#N)n(C)c2)c2ccccc21 280247721 YSYYNVWZZWRTHF-RTBURBONSA-N 293.414 3.871 30 20 CHED CC#CCCCC(=O)N1CCCn2c(cc3ccccc32)C1 288481395 CKSCDFMDKKGQLR-UHFFFAOYSA-N 294.398 3.567 30 20 CHED CCCCCCCCC(=O)N1CCC([C@H]2CCNC2)CC1 377742742 HTBGQXUPFPTTRL-KRWDZBQOSA-N 294.483 3.585 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C#N)cc2)CC12CCCCC2 463039937 UOOXUPKDSXDBOO-HNNXBMFYSA-N 296.414 3.991 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccco1 285699100 OYUVWLYSKDFCQV-HZPDHXFCSA-N 289.350 3.749 30 20 CHED CC#CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 283389833 SEKXOQNOQMDUIK-UHFFFAOYSA-N 282.170 3.508 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1ccc(OC)cc1 281030492 HWCNYPDTJLHUGH-DZGCQCFKSA-N 275.392 3.660 30 20 CHED C=CCOc1cccc(NC(=O)C2Cc3ccccc3C2)c1 469098839 WVPUAGQHNUOPST-UHFFFAOYSA-N 293.366 3.605 30 20 CHED C=CCSCCN[C@H]1CCC[C@H](c2ncccc2C)C1 467337628 DOBCNQBJRWXVCZ-HOTGVXAUSA-N 290.476 3.925 30 20 CHED C#CC[C@@H](NC(=O)c1occc1C(C)C)c1ccccc1 284310468 VBFJEMTWVXSQNP-MRXNPFEDSA-N 281.355 3.897 30 20 CHED C=C(C)CCN1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 463199171 GMYSGRLCWPKMDC-MWDXBVQZSA-N 265.441 3.604 30 20 CHED Cc1cccc(C)c1CC(=O)N[C@](C)(C#N)C1CCCCC1 558102633 KNBKOKCYKCPMQU-LJQANCHMSA-N 298.430 3.825 30 20 CHED C[C@H]1c2ccsc2CCN1c1cc(C#N)ccc1[N+](=O)[O-] 466373205 VEOFQNCNXLVFKC-JTQLQIEISA-N 299.355 3.652 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2cnc(C)s2)C1 633470717 OCCVOALBBUYFNU-AAEUAGOBSA-N 293.436 3.510 30 20 CHED C=CCCCCNC(=O)[C@H](C)CSc1ccccc1 471707087 SVRKNEIHKNVQKJ-CQSZACIVSA-N 277.433 3.887 30 20 CHED CCc1nnc(N2CC=C(C(C)(C)C)CC2)c(C#N)c1CC 388642570 NCFXBOJBACNKFL-UHFFFAOYSA-N 298.434 3.656 30 20 CHED N#Cc1cnccc1/C=C/c1cccc(Br)c1 470289181 MLHMFRJQRRGSDA-SNAWJCMRSA-N 285.144 3.886 30 20 CHED C=CCCCCCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] 805219129 XTKKZKUZAVMGDJ-UHFFFAOYSA-N 290.363 3.770 30 20 CHED C=CCCc1noc([C@H]2C[C@H]2c2c(F)cccc2F)n1 297431658 VJLRAGBWRFBSHX-ZJUUUORDSA-N 276.286 3.738 30 20 CHED C=CCN(C(=O)c1cc2ccc(OC)cc2s1)C1CC1 632287239 ZQXUTTXEJIMPIG-UHFFFAOYSA-N 287.384 3.701 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(SC)cc1OC 298576809 HVIUGQFUDPIMTJ-UHFFFAOYSA-N 265.378 3.568 30 20 CHED CC(C)=CCON=Cc1ccccc1OC(F)F 808244593 GWFSWDAXLXODPX-UHFFFAOYSA-N 255.264 3.605 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 555237101 NOPZMOCOLFNGNC-HUUCEWRRSA-N 299.418 3.596 30 20 CHED C#C[C@@H](N[C@H](C)Cc1ccccc1SC)C(C)C 809685438 UFPRENLPVHSXCG-UKRRQHHQSA-N 261.434 3.587 30 20 CHED COc1ccc2c(c1F)CCC2=NOCc1ccccc1 807961428 PQTBMWJXSVXZOO-UHFFFAOYSA-N 285.318 3.701 30 20 CHED C=C(C)CCc1noc(-c2cc(C)n([C@@H](C)C3CC3)n2)n1 560456003 ONNPQAQNLFGUON-LBPRGKRZSA-N 286.379 3.721 30 20 CHED N#CCCCCCC(=O)OCc1ccc(Cl)cc1C#N 805696818 KLVHNUPMNYNWOD-UHFFFAOYSA-N 290.750 3.729 30 20 CHED CCCCCOc1ccc([C@H](C)NCCC#N)cc1OC 299704274 PIHZUKJUIOBJOL-AWEZNQCLSA-N 290.407 3.828 30 20 CHED C[C@H](CCC1CC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 476730409 SYCQXHKVWPZLBU-CYBMUJFWSA-N 284.403 3.796 30 20 CHED Cc1cccc(CN(Cc2ccc(C#N)cn2)CC(C)C)c1 563821215 OYQQIHLEZOQOEV-UHFFFAOYSA-N 293.414 3.920 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@]12CCCc1ccccc12 471709137 LOWNEAUENIPQHL-MJGOQNOKSA-N 283.415 3.753 30 20 CHED Cc1ccc([C@@H](O)[C@H](C)Nc2cccc(F)c2C#N)cc1 804810656 YGELMOSTDUYIGL-SJCJKPOMSA-N 284.334 3.540 30 20 CHED C=CCC(C)(C)C(=O)NCCCCN(C)c1ccccc1 292262288 NGGLGKKUDRTPQE-UHFFFAOYSA-N 288.435 3.622 30 20 CHED C[C@H](Oc1ccccc1C=O)c1ccc(C#N)cc1 808244204 YGRDVYKVZPGDDE-LBPRGKRZSA-N 251.285 3.511 30 20 CHED CC1(C)CC(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 564606201 RBLIDVPQRFZWIA-UHFFFAOYSA-N 296.292 3.952 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNC2CCC(C)(C#N)CC2)o1 562519313 JNOHIKIMWQXBDF-KKVZTGDRSA-N 272.392 3.965 30 20 CHED N#Cc1ccc(N2CC[C@@H](C3CC3)C2)c(C(F)(F)F)c1 487169527 GSJBKYKCGZOPIY-GFCCVEGCSA-N 280.293 3.813 30 20 CHED Cc1[nH]c(=N[C@@H](C)c2c(F)cccc2Cl)ccc1C#N 488066197 FJBLFLNSHMNKIT-JTQLQIEISA-N 289.741 3.649 30 20 CHED C=CCNC(=S)Nc1ccc(-c2ccccc2)c(C)n1 811707147 QOHNGVDCVZMLFN-UHFFFAOYSA-N 283.400 3.529 30 20 CHED Cc1ccc(C)c(NN=Cc2cccnc2Cl)c1 814753458 ODDWHYWHOPVXGB-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C=CCC(F)(F)C(=O)OC[C@@H]1CCC2(CCCCC2)O1 815312790 JIWLPUKQGIIZRQ-LBPRGKRZSA-N 288.334 3.623 30 20 CHED CSCc1cnc(C=NN[C@H]2CCCC2(C)C)s1 814917748 QGGVYLIYYPRCGH-NSHDSACASA-N 283.466 3.508 30 20 CHED CC(=NNc1nc(-c2cccnc2)no1)C1C(C)(C)C1(C)C 814949655 PTZGYKUZLYEIGR-UHFFFAOYSA-N 299.378 3.602 30 20 CHED C=CCCCCCCCNC(=O)c1cncnc1C(C)C 813256841 MDJYZOOHPKYSAJ-UHFFFAOYSA-N 289.423 3.856 30 20 CHED CC(=NNc1cccc(C#N)c1)[C@H](C)CCCCC(=O)O 814787255 XRPVZRSTNFRSDR-GFCCVEGCSA-N 287.363 3.627 30 20 CHED CCCCCC[C@H](C)NN=Cc1conc1CC 814858773 GTYANRXCJMSZFG-LBPRGKRZSA-N 251.374 3.519 30 20 CHED C(=NOCc1ccccc1)c1conc1Cc1ccccc1 814791219 AHNFIXZZLCERGE-UHFFFAOYSA-N 292.338 3.816 30 20 CHED C=C[C@@H]1CCCCN1C[C@@H](O)c1cc2ccccc2o1 815104307 HMURINOANDFYPA-HUUCEWRRSA-N 271.360 3.507 30 20 CHED C[C@H]1C(=NNCCC(C)(C)C)CC[C@H](C(=O)O)C1(C)C 814901311 IAJOHZNRVQEUJJ-NWDGAFQWSA-N 282.428 3.525 30 20 CHED CC(C)(C#N)CC(=O)NC1(Cc2ccccc2)CCCCC1 486159836 STUYZHJGPHLXKA-UHFFFAOYSA-N 298.430 3.988 30 20 CHED C=CC[C@@H](CO)CN[C@H]1CCCc2c1[nH]c1ccc(C)cc21 571440557 HELHJFKVICWQGD-KDOFPFPSSA-N 298.430 3.628 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1Nc1cnn(CC(F)F)c1 657950901 WFZQLJJETZEDJH-YPMHNXCESA-N 269.339 3.695 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N[C@]1(C)CCOC1=O 813296415 UPFCBUKOHUYESB-WMLDXEAASA-N 297.439 3.585 30 20 CHED C=CCC(C)(C)c1noc(C2=NO[C@H](c3ccccc3)C2)n1 815705183 AVNHRXLLWWEPMO-AWEZNQCLSA-N 297.358 3.789 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NOC[C@H](C)CC 813822350 JUCRQEJMKGQTHC-CYBMUJFWSA-N 294.370 3.501 30 20 CHED CC(C)OCCON=C1CC[C@H]2CCCC[C@@H]2C1 812240684 XOJOYSNFZRERSP-ZIAGYGMSSA-N 253.386 3.774 30 20 CHED C#CCC1(OC(=O)Cc2c[nH]c3cc(C)ccc23)CCC1 810749845 WTPQRJXCHCVFHC-UHFFFAOYSA-N 281.355 3.508 30 20 CHED C=CCCCN1CCO[C@H](c2ccc(CC)cc2)C1 484358161 GFUIFOVOMPKBPH-KRWDZBQOSA-N 259.393 3.589 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2c(F)cc(F)cc2C1 483542295 IYXMWKSQVUCWTC-GFCCVEGCSA-N 298.336 3.956 30 20 CHED Cc1ncsc1C/N=C\c1c(O)ccc2ccccc12 729150746 XUHZVLLSVJCLBX-IUXPMGMMSA-N 282.368 3.929 30 20 CHED CCCC[C@H]1CCCC1=NNc1oc(C)nc1C#N 727255303 NKXDUNRBKBOYBX-NSHDSACASA-N 260.341 3.613 30 20 CHED CC(C)C(C)(C)C(=O)Nc1cc(C#N)c2ccccc2n1 572041595 PTZPIKRFOCFXNV-UHFFFAOYSA-N 281.359 3.727 30 20 CHED C=C(C)CS[C@@H](C)C(=O)NCCC1=CCCCC1 570753956 KBSPFPCYLIKCPU-ZDUSSCGKSA-N 267.438 3.691 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(OC)c2F)C1 822666064 BONPTSRQVVRMGB-GFCCVEGCSA-N 292.354 3.654 30 20 CHED C=CCC[C@@H](CCC)NC[C@](C)(C(=O)O)c1ccccc1 650801874 CHXISJLKUQJNAY-AEFFLSMTSA-N 289.419 3.753 30 20 CHED CCC[C@@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 726437428 DUCAAXQITMKQKF-SECBINFHSA-N 281.812 3.687 30 20 CHED CC(C)C#CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 823356966 UBJKQDHMLDSUHY-OAHLLOKOSA-N 289.806 3.533 30 20 CHED CCC1(CC)CCC(NC[C@@H](C#N)CCC#N)CC1 574750244 LMJZOHHSPFNINU-CQSZACIVSA-N 261.413 3.769 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCC(F)(F)C1 499585542 VVGDJWYTNIXGQK-AAEUAGOBSA-N 259.340 3.530 30 20 CHED C=CCCC1(C(=O)NCC(C)(C)C(C)(C)C)CC1 573034510 ZDVIXDVRVBFNCB-UHFFFAOYSA-N 251.414 3.921 30 20 CHED CCCCc1ccc(CC(=O)N(C)CC(C)(C)C#N)cc1 497148573 QDHXCCAANXFGQH-UHFFFAOYSA-N 286.419 3.580 30 20 CHED C=C(CNc1ccc([N+](=O)[O-])s1)c1ccccc1 588840864 XVEBPPRUSTXXKD-UHFFFAOYSA-N 260.318 3.782 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)CCCCCC#N 588647166 XFRRFNJUMANLNA-HNNXBMFYSA-N 264.413 3.888 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccnc(-c3ccco3)c2)C1 905928974 JFOOSKHNBDTZCZ-TZMCWYRMSA-N 296.326 3.581 30 20 CHED C=CCOc1ccccc1CNCc1ccccc1NCC 902229365 SGBNOOHJYFJZKF-UHFFFAOYSA-N 296.414 3.973 30 20 CHED CCCCCCCN[C@@H]1CCC[C@@H](C(F)(F)C(=O)O)C1 902060177 CKILKHCXEVMLEY-CHWSQXEVSA-N 291.382 3.825 30 20 CHED C=CCCC(=O)Nc1cccnc1OCc1ccccc1 588030156 ABIZKYOHEAGPQT-UHFFFAOYSA-N 282.343 3.565 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CSc1ccccc1)C(C)C 495065698 KIUQOTNJYCZGEB-WBVHZDCISA-N 293.476 3.578 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1cccc(C#N)c1 736027317 BDIPSGKHYKSNSG-XUJVJEKNSA-N 257.333 3.540 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCCCC(F)(F)C2)C1 495004325 LLYKPOMEDLQEPC-MGPQQGTHSA-N 270.367 3.874 30 20 CHED C#CCNC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 490590137 PIXAPYYWBJBIIP-AWEZNQCLSA-N 298.411 3.654 30 20 CHED N#Cc1c(COC(=O)CC2=CCCCC2)cn2ccccc12 730334587 BQEPRQKBEGQKLI-UHFFFAOYSA-N 294.354 3.745 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(C)c(O)c(C)c1C 490380694 VEOJUAWSIWUPKL-UHFFFAOYSA-N 284.359 3.557 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H]1CCCc2c(F)cc(F)cc21 835507257 BWJBYBHFIJSSIM-GOEBONIOSA-N 293.313 3.825 30 20 CHED CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NOC(C)C 835000786 QXKVADNNYKXXMX-CYBMUJFWSA-N 284.400 3.577 30 20 CHED C=CCC1(C(=O)Oc2ccc(OC)c(OC)c2)CCCC1 835192141 FGEUKXWHQRNDKM-UHFFFAOYSA-N 290.359 3.746 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1cccc(C)c1C 734296228 OAFIDWSFPPONTD-UHFFFAOYSA-N 268.364 3.546 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1ccc2[nH]ccc2c1 730856843 MUPGAEGCJLCJJR-UHFFFAOYSA-N 294.285 3.536 30 20 CHED N#CC1(CN[C@H]2CCc3ccc(Cl)cc32)CCC1 903033538 WVECCHNFVHWTEG-AWEZNQCLSA-N 260.768 3.611 30 20 CHED Cc1ccc2cccc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)c2n1 839449088 LUASWPYRUUEPOW-UKRRQHHQSA-N 294.354 3.782 30 20 CHED N#Cc1cc(OCCCCF)ccc1C(F)(F)F 589269146 LZYMSEQNLFLGCQ-UHFFFAOYSA-N 261.218 3.706 30 20 CHED C[C@H](CC#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 733710532 YGORMEBCBDKAQQ-DVVUODLYSA-N 298.169 3.942 30 20 CHED Cc1cc(CNC(=O)C#CC(C)(C)C)c2[nH]c(C)c(C)c2c1 837369785 VMMWWVVWBZHINR-UHFFFAOYSA-N 296.414 3.759 30 20 CHED C=CCN(CC1CCCCC1)C[C@H](O)c1cccc(F)c1 732666918 GWBSNPBVCXNQPO-SFHVURJKSA-N 291.410 3.927 30 20 CHED N#CC1(COC(=O)Cc2cccc(Cl)c2Cl)CCC1 837693840 XSBHBIZLBOOCSG-UHFFFAOYSA-N 298.169 3.773 30 20 CHED C#CCCCCCC(=O)NCC[C@]1(C)CC1(Cl)Cl 836910901 FBZSNXJOGUAFBB-CYBMUJFWSA-N 290.234 3.660 30 20 CHED Cc1noc(C)c1CSCCc1ccc(C#N)cc1 596251906 YZKUVAWBIMQDNJ-UHFFFAOYSA-N 272.373 3.639 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC2(C3CCC3)CC2)cc1 593306463 CBWLZLMSXJVROX-UHFFFAOYSA-N 282.387 3.550 30 20 CHED N#Cc1csc(/C=C2\Cc3c(F)ccc(F)c3C2=O)c1 749581574 DMUKAFKIHWGZES-RUDMXATFSA-N 287.290 3.720 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C3C(C)(C)C3(C)C)[nH]c12 747125331 UGDLNQSPUIFPQD-LLVKDONJSA-N 295.386 3.730 30 20 CHED C=C(C)CCOC(=O)Cc1ccccc1OC(C)C 744303748 UCCOGKBEXBMJSW-UHFFFAOYSA-N 262.349 3.526 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(OC)cc1OC 743449407 VPAIMISMAUOGKD-CQSZACIVSA-N 292.423 3.986 30 20 CHED Oc1cccc(/C=N/Cc2c(F)cccc2Cl)c1O 745625103 SCHJYZKPBGOUKY-REZTVBANSA-N 279.698 3.509 30 20 CHED CC(=NNc1ncc(Br)cn1)C1CCCCC1 848422068 SQHDAEFNSZMXCI-UHFFFAOYSA-N 297.200 3.607 30 20 CHED N#Cc1ccc(NN=C2Cc3ccc(Cl)cc3C2)cc1 743437488 MDXFWLDCCDNSOP-UHFFFAOYSA-N 281.746 3.778 30 20 CHED CCC(CC)(CC)NC(=O)CC1(C#N)CCCCC1 597292643 GPVKPXVNYGYUTG-UHFFFAOYSA-N 264.413 3.936 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C(/C)c1cccc(Cl)c1 749933819 LWDJDOVGPIAAFV-MSKHEQNASA-N 276.767 3.552 30 20 CHED CC(C)c1ccc(C=NOCc2cccnc2)cc1[N+](=O)[O-] 746587348 NIJUDYHESFGPOZ-UHFFFAOYSA-N 299.330 3.664 30 20 CHED Cc1cc(N(C)C)ccc1/C=C/C(=O)c1cnn(C(C)C)c1 840718760 OESNNMKXVNZZCH-VQHVLOKHSA-N 297.402 3.735 30 20 CHED Cc1c(NN=C2CCC(C)CC2)cccc1C(=O)O 844627756 QLLNYXUEVCQNJN-UHFFFAOYSA-N 260.337 3.671 30 20 CHED COc1ccc(/C=C2/Cc3c(F)ccc(F)c3C2=O)cc1 749587659 DIRBNKRNLIOJKE-FLIBITNWSA-N 286.277 3.796 30 20 CHED C[C@@H](CC(=O)N1CCC(CCC#N)CC1)c1ccccc1 592821113 YFKKFKDBJMWPEV-HNNXBMFYSA-N 284.403 3.723 30 20 CHED C=CCOC(=O)c1cc(C2CC2)nc2ccc(F)cc12 745593267 HKDOLMPRXJMASH-UHFFFAOYSA-N 271.291 3.594 30 20 CHED C=CCC(C)(C)C(=O)O[C@H](C)C(=O)c1cccc(F)c1 840577835 PJOBMBBKRJOBRF-LLVKDONJSA-N 278.323 3.542 30 20 CHED CC(=NN1CCOCC1)C(c1ccccc1)c1ccccc1 916618333 JRURACICDHAERK-UHFFFAOYSA-N 294.398 3.527 30 20 CHED N#Cc1ccc(CN2CCC[C@@H](C3CCCCC3)C2)nc1 595876776 GXYXRYIPNDBMFZ-QGZVFWFLSA-N 283.419 3.746 30 20 CHED CCC(C)(C)C(=O)OCCC1(C#N)CCCCC1 840223330 SQANTSMTOOFOGO-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C=CCSc1ccccc1C(=O)Nc1ncc(C)o1 681599853 ODECWQDDXDWMSX-UHFFFAOYSA-N 274.345 3.513 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)Cc2ccc(F)cc21 749003484 PLJASLCBMBGHNG-WDZFZDKYSA-N 274.241 3.926 30 20 CHED CCCCCCCCC(=O)Nc1cnn(CC2CC2)c1 742963984 SSEFYHIXPUECPQ-UHFFFAOYSA-N 277.412 3.982 30 20 CHED CCCCCCCOC(=O)c1cncnc1C(C)C 918493547 AWBRUPQTWWOOOE-UHFFFAOYSA-N 264.369 3.727 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@H](c1ccccc1)C(C)C 594094931 QXFOXAMHJSGWSO-CVEARBPZSA-N 272.392 3.577 30 20 CHED C=CC[C@@H](NC(=O)[C@@H]1CCC(C)=C(C)C1)c1ccncc1 843549545 MXEUUNNBHXHTDW-IAGOWNOFSA-N 284.403 3.952 30 20 CHED C#CCCCNC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 749579867 LHSAPLWVWNLWMO-INIZCTEOSA-N 286.419 3.795 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)c1ccccc1N(C)C 595057887 YGGHYYWZJNGDFQ-HNNXBMFYSA-N 293.414 3.518 30 20 CHED C#CC[C@H](OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C1CC1 842316400 IWPDULNQSPYGDL-RYRKJORJSA-N 268.356 3.525 30 20 CHED Cc1cccc2ncc(/C=C/C(=O)c3ccccc3)n12 748998873 ICVQNGCQWVDUOY-ZHACJKMWSA-N 262.312 3.539 30 20 CHED C=C1CCN(CCCCCCNC(=O)OC(C)(C)C)CC1 844294842 NJTOIKYHVMZULJ-UHFFFAOYSA-N 296.455 3.724 30 20 CHED CN1[C@H]2CC[C@H]1CC(/N=C/c1c(O)ccc3ccccc13)C2 840708846 IZVAWOREKHVZQN-BXRKRMDBSA-N 294.398 3.590 30 20 CHED C=C(Cl)CN(C)[C@@H](CO)c1cccc(Cl)c1Cl 852511224 ACAOHXXPVVFXDL-NSHDSACASA-N 294.609 3.711 30 20 CHED C#CC[C@@H](NC(=O)NCC1(C)CCCC1)c1ccccc1 757028292 XHNMFRNCOFSFCV-MRXNPFEDSA-N 284.403 3.631 30 20 CHED C=CC[C@@H](C(=O)N(C)Cc1ccc(C)cn1)c1ccccc1 682770369 YEGBKESPNNSTLN-GOSISDBHSA-N 294.398 3.708 30 20 CHED C#Cc1cccc(NC(=S)NC2(CC(C)C)CC2)c1 853036125 CUVVUKRSLJERFI-UHFFFAOYSA-N 272.417 3.533 30 20 CHED N#Cc1ccc(CNC/C=C\c2ccc(F)cc2F)cc1 757807496 GINFTCNRENEDKZ-UPHRSURJSA-N 284.309 3.639 30 20 CHED CCc1ccc(C=NOCc2ccc(F)cc2)cc1 853970386 CPBWYYUBXWSHGR-UHFFFAOYSA-N 257.308 3.939 30 20 CHED CC(/C=C\C(=O)c1c(C)nn(C)c1C)=C/c1ccccc1 750912449 FQUCBPFJTQPLTA-FQEMRORKSA-N 280.371 3.879 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 757234667 ZBCFYPRVYIRLKL-CYBMUJFWSA-N 297.358 3.878 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc(C#N)c(Cl)c1 926369778 KNGJDWMTTVITBU-LLVKDONJSA-N 275.783 3.630 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1ccc(F)c(Cl)c1 759166169 HMTPAXRPZFLUQZ-JTQLQIEISA-N 268.715 3.887 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1ccoc1 755890967 SWLMWYJCJRQRFV-UHFFFAOYSA-N 252.676 3.908 30 20 CHED CC(C)=C(C)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 752034359 OOHLGUGXIDLTPE-SJORKVTESA-N 282.387 3.641 30 20 CHED Clc1ccc(C=NOCCOc2ccccc2)cc1 854285316 KLBSZIGSFOAVQS-UHFFFAOYSA-N 275.735 3.770 30 20 CHED CC1(CNC(=O)/C=C/c2ccccc2C#N)CCCCC1 757722434 LSRLEERZEXIRKG-MDZDMXLPSA-N 282.387 3.658 30 20 CHED Cc1cc(Br)ccc1C=NO[C@@H]1CCCCO1 755814253 LPCPYNHSDBGZCU-CYBMUJFWSA-N 298.180 3.635 30 20 CHED C=CCCCCCOC(=O)c1ncnc2ccsc12 850309232 BLUYAHSOPANHHZ-UHFFFAOYSA-N 276.361 3.595 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 755602404 DLNQJCIIRFYHOO-DVOMOZLQSA-N 270.376 3.614 30 20 CHED CCCOc1cncc(-c2ccc([C@@H](C#N)OC)cc2)c1 854191917 WQJSQXOHGZFNPY-QGZVFWFLSA-N 282.343 3.748 30 20 CHED C[C@@H](C=NO[C@H]1CCCCO1)CCc1ccccc1 755815472 SHBPKOJCDBDKRY-ZBFHGGJFSA-N 261.365 3.784 30 20 CHED C=C(C)CCNC(=O)Nc1c(C(C)C)nc2ccccn12 933751647 ANEPEXFVPQSSTD-UHFFFAOYSA-N 286.379 3.545 30 20 CHED Cc1ncc([C@H](C)Nc2snc(Cl)c2C#N)s1 866055706 CKMVEWATURWSNI-YFKPBYRVSA-N 284.797 3.606 30 20 CHED CC[C@H](CC#N)OC(=O)/C=C\c1ccc(SC)s1 860693906 ADDSWAULFHDXKL-AYYIZTPMSA-N 281.402 3.719 30 20 CHED C=CC[C@@H](OC(=O)c1conc1CC)c1ccccc1 860678255 XNUKZMGOPCJEDD-OAHLLOKOSA-N 271.316 3.711 30 20 CHED Cc1ccc(F)c([C@@H](C)OC(=O)c2cccc(C#N)c2)c1 764330547 DJQLEDVZXSHITM-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C#C[C@@H](OC(=O)C[C@H](C)c1ccncc1)c1ccc(C)cc1 860960779 BIHACRXRGLOLIC-MAUKXSAKSA-N 293.366 3.801 30 20 CHED N#Cc1cc(Cl)nc(NN=C/C=C\c2ccccc2)c1 768379971 KRZBQCAWXMFKJR-OKYOFPDWSA-N 282.734 3.718 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 931940292 HNUFFIFJFIKVFI-GFCCVEGCSA-N 297.402 3.840 30 20 CHED CCCC(=NN[C@@H]1CCCOC1)c1cc(C)sc1C 863108637 OGZFSFFRQUCTJE-CYBMUJFWSA-N 280.437 3.638 30 20 CHED CC#CCCCC(=O)OCc1cccc(F)c1Cl 767122115 LNALCDUOGWOAJC-UHFFFAOYSA-N 268.715 3.716 30 20 CHED Cc1c(Cl)cccc1NC(=O)[C@@H](C)SCCC#N 58256485 YKXYLKKRNNKAEB-SNVBAGLBSA-N 282.796 3.622 30 20 CHED Cc1nc(CC(C)C)c(NC(=O)C#Cc2ccccc2)s1 761137059 UCAOIEZRNXPKBJ-UHFFFAOYSA-N 298.411 3.640 30 20 CHED C#CCCCN[C@@H](C)Cc1ccc(Br)c(F)c1 766232105 FJSNBUBJUIINFE-NSHDSACASA-N 298.199 3.522 30 20 CHED COc1ccc(NN=Cc2c[nH]c3cccc(F)c23)cc1 763370349 ONQQSCWHHYIWER-UHFFFAOYSA-N 283.306 3.762 30 20 CHED CC[C@@H]1CCC[C@@H]1c1nnc(-c2cccc(C#N)c2)o1 1118372134 PBWBXVLJROPKPI-OCCSQVGLSA-N 267.332 3.902 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 879496143 FUNQTNBRHQGTQX-JKSUJKDBSA-N 287.403 3.625 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NOCC(F)F 872367403 WDBASMNWQVETTG-UHFFFAOYSA-N 266.291 3.758 30 20 CHED C#CCN(Cc1csc(-c2ccc(F)cc2)n1)C1CC1 763960500 QGKFWABWUJCFFB-UHFFFAOYSA-N 286.375 3.547 30 20 CHED COc1cc(F)cc(NN=Cc2cscc2Cl)c1 771879294 WWHGRLGAENEDER-UHFFFAOYSA-N 284.743 3.995 30 20 CHED C=CCOC(=O)c1sc(-c2ccccc2C)nc1C 773995535 FWBLFOIFZCLZIZ-UHFFFAOYSA-N 273.357 3.770 30 20 CHED CCN(CCC#N)c1cc(-c2cccc(Cl)c2)ncn1 872473393 IVEVDKOANUKNOK-UHFFFAOYSA-N 286.766 3.537 30 20 CHED c1ccc(CCCNN=C2CCCNc3ccccc32)cc1 774386232 VVRTVHAUNWVDKQ-UHFFFAOYSA-N 293.414 3.819 30 20 CHED C[C@H]1CC[C@@H](C)[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 777126694 KCHHQJDLTZFDAI-OBQMCUGOSA-N 268.404 3.960 30 20 CHED C=CCCc1ccccc1NC(=O)NCCC(C)(C)OC 879495483 LMTOCKGUBVNJEI-UHFFFAOYSA-N 290.407 3.742 30 20 CHED C=CCN(C)Cc1c(O)ccc2oc3c(c12)CCCC3 777544835 NWJAASGWVMKHQE-UHFFFAOYSA-N 271.360 3.635 30 20 CHED C=CCCC[C@@H](C)NC(=O)/C=C/c1ccccc1F 775926139 REOOOWKNNRMQCI-XZHRJIJLSA-N 261.340 3.700 30 20 CHED C=CCC1(O)CCN(CCc2ccc3ccccc3c2)CC1 886763685 BPTQPJQFWHIWOE-UHFFFAOYSA-N 295.426 3.785 30 20 CHED N#CCc1ccc(COC(=O)C=C2CCCCC2)cc1 776112233 GTCLJLQAYAXIBC-UHFFFAOYSA-N 269.344 3.686 30 20 CHED CC(C)c1nccnc1NN=Cc1cc2ccccc2o1 773086424 QOCGNEJENJMULF-UHFFFAOYSA-N 280.331 3.792 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(Cl)c2Cl)n(C)n1 789159620 OUALYVDLGWSXGB-SREVYHEPSA-N 295.169 3.931 30 20 CHED FC(F)(F)c1cccc(NN=C[C@@H]2CCSC2)c1 782112236 XKMAIBNMWYGNJU-VIFPVBQESA-N 274.311 3.856 30 20 CHED N#CCOc1cccc(NCc2scnc2C2CC2)c1 787267059 IHTSCXWMQLUBKZ-UHFFFAOYSA-N 285.372 3.535 30 20 CHED CS[C@@H]1CC[C@H](Nc2ncc(Cl)c(C)c2C#N)C1 784161926 JDGVQALMSBJJAD-VHSXEESVSA-N 281.812 3.611 30 20 CHED C=C(CC)C(=O)Nc1cccc(NC(=O)CCC)c1C 1123608195 NIVAITAAFIYEMI-UHFFFAOYSA-N 274.364 3.638 30 20 CHED C#Cc1ccc(NC(=O)CC[C@H]2CC2(Cl)Cl)cc1 891313815 ZHDGPINXMVTBHB-NSHDSACASA-N 282.170 3.580 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCCCS2)n1 783402643 ZHRGVAOLMBGCKU-JQWIXIFHSA-N 294.445 3.728 30 20 CHED N#CC1(COC(=O)/C=C/c2ccccc2F)CCCCC1 780485547 DJVUENRCYBFEQQ-CMDGGOBGSA-N 287.334 3.856 30 20 CHED CCC[C@H](C(=O)Nc1cc(C#N)c(F)cc1F)C(C)C 1132470362 LJFDHLNJAIDQTL-NSHDSACASA-N 280.318 3.847 30 20 CHED C=C(Cl)COC(=O)c1ncsc1-c1ccccc1 782383770 GHKQIVQXRRHEQJ-UHFFFAOYSA-N 279.748 3.719 30 20 CHED C=C1CCC(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 897839927 UIHFWYXGUPAGCQ-JCNLHEQBSA-N 287.378 3.934 30 20 CHED N#Cc1ccc(N[C@H]2CC=CCC2)c(Br)c1 168563350 CREDAICHAQFXEE-NSHDSACASA-N 277.165 3.841 30 20 CHED CSc1ccc([C@H](C)OC(=O)c2ccc(C#N)[nH]2)cc1 798895347 YIBRYMXJMZAQIG-JTQLQIEISA-N 286.356 3.526 30 20 CHED C=CC[C@H](CC)NCc1cnc(CC(F)(F)F)s1 894234592 VIHPVUHHHSUUAH-VIFPVBQESA-N 278.343 3.692 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NNCCC(F)(F)F)C1 799114176 UNWKDVDVLCDKCV-LBPRGKRZSA-N 299.340 3.946 30 20 CHED Cc1ccc(C)c(C(=O)N(CCC#N)CC(C)(C)C)c1 104626222 JGDCGCXKCCIOBP-UHFFFAOYSA-N 272.392 3.705 30 20 CHED CCCCCCCN1C[C@@H](N2CCCC2)C[C@H]1C 796429073 NERWOHTYOABASV-CVEARBPZSA-N 252.446 3.515 30 20 CHED CC(Cn1nc(C)cc1C)=NO[C@H](C)c1ccc(C#N)cc1 794714373 FTXMQDNGLDBHKU-OAHLLOKOSA-N 296.374 3.525 30 20 CHED CSc1ccc(CNc2ccc(F)cc2OCC#N)o1 1205334389 HVWOEUURWQDNCU-UHFFFAOYSA-N 292.335 3.655 30 20 CHED C=C(CC)COC(=O)[C@H](C)[C@@H]1OCCc2sccc21 796490420 IKULZUKERHTIAD-RISCZKNCSA-N 280.389 3.507 30 20 CHED Cc1ccc(Br)c(OCC2(CC#N)CC2)c1 596295091 OUWRRLWHXDLMQF-UHFFFAOYSA-N 280.165 3.830 30 20 CHED C#CCN(CC)Cc1cnc(-c2ccc(Cl)cc2)s1 793583203 BINJCUOABZSKQH-UHFFFAOYSA-N 290.819 3.919 30 20 CHED C/C(=C/Cl)CSCCOc1ccccc1C#N 797813739 LLMQBYOTWYAMEK-FLIBITNWSA-N 267.781 3.813 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(OC(C)C)c(C(N)=O)c1 793379701 VYYLEGJZHKLTKL-STQMWFEESA-N 290.407 3.585 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Cl)s2)no1 791429939 AEEZOSUSHJALMC-RQOWECAXSA-N 253.710 3.594 30 20 CHED O=C1/C(=C/c2cccnc2Cl)COc2cc(F)ccc21 794729131 YFYUBBIZUDNDDF-UXBLZVDNSA-N 289.693 3.533 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2cccc(CC#N)c2)CC1 573685431 MDPPOYIFJFLQIV-HNNXBMFYSA-N 268.360 3.828 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1cccc(CC(C)C)c1 794720365 TXKGCRGXEUYIHV-CMDGGOBGSA-N 282.387 3.823 30 20 CHED COCCCON=Cc1ccc(Cl)c(C(F)(F)F)c1 795055237 HZYPWWKRXDLNGO-UHFFFAOYSA-N 295.688 3.746 30 20 CHED Cc1cccnc1NN=C(CC(C)C)c1ccccn1 790191555 WIOZVIRISJTANK-UHFFFAOYSA-N 268.364 3.647 30 20 CHED CSCCON=Cc1ccc(-c2cccc(F)c2F)o1 794572887 KKSAICFQRRMWGO-UHFFFAOYSA-N 297.326 3.938 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)NCCCCC#N 592590753 GRMAFFAGUWCTSB-AWEZNQCLSA-N 250.386 3.569 30 20 CHED C=C(Br)CN[C@@H](C)C1CCCCCC1 88169169 HJLYLTQUKSKWPG-NSHDSACASA-N 260.219 3.844 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N(CCC#N)CCC(C)C 1144537135 HUPUBSRVJCJMQG-MRXNPFEDSA-N 286.419 3.887 30 20 CHED Cc1cc(N2CCC[C@](C)(c3ccccc3)C2)c(C#N)cn1 1306964994 PZAZECYXBPRTFF-IBGZPJMESA-N 291.398 3.820 30 20 CHED CC[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1CC1(C)C 1311103870 LIPRESVRZYMVBU-KBPBESRZSA-N 289.354 3.644 30 20 CHED CCC[C@H](NC(=O)Cc1ccccc1CC#N)C(C)(C)C 1324508449 DVPQAZRQERYFKG-INIZCTEOSA-N 286.419 3.626 30 20 CHED Cn1ccc(NN=C2CCC[C@H](C(C)(C)C)CC2)n1 1320698021 XZKQANZRSUTRII-LBPRGKRZSA-N 262.401 3.814 30 20 CHED N#CC1(Cc2nnc(Cc3cccs3)o2)CCCCC1 1326972470 MNXFGJICTGSBTR-UHFFFAOYSA-N 287.388 3.738 30 20 CHED CCOc1cccc(-c2nnc(-c3cccc(C#N)c3)o2)c1 1328428745 DSZGWLMEMDIEIX-UHFFFAOYSA-N 291.310 3.674 30 20 CHED COc1cccc(O)c1/C=N/Cc1cccc(C(F)F)c1 1320493708 FMDBMHBZYSRFCN-VXLYETTFSA-N 291.297 3.958 30 20 CHED CCn1cncc1/C=C1\CCc2c(Cl)cccc2C1=O 1331949647 YADBWXULPPQEGE-DHZHZOJOSA-N 286.762 3.769 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)CC1(C)COC1 1332649007 ABRBZFOCAISRPH-OAHLLOKOSA-N 298.471 3.661 30 20 CHED N#Cc1ncccc1SCc1cccc(OC(F)F)c1 1189338054 KRNUFGFSYVKMAH-UHFFFAOYSA-N 292.310 3.847 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@H](C2CCCC2)C1 1195306146 JPCXMQGIHCBTSU-INIZCTEOSA-N 284.403 3.579 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccn1C1CC1 1347935756 OZZVBHZQKQTJOJ-UHFFFAOYSA-N 278.359 3.617 30 20 CHED C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N(CC)CCC 1340194299 AFEMWUIACSOZDX-LBPRGKRZSA-N 298.381 3.603 30 20 CHED CC/C(C)=C/C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1517123638 MDQKALJLWFPQPT-TTZKWOQHSA-N 287.750 3.749 30 20 CHED CC[C@H](C)OCC(=O)O[C@@H](c1cccs1)[C@@H](C#N)CC 1519365412 LIEYVMDNRJEBQZ-YWPYICTPSA-N 295.404 3.697 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2ccccc2CC#N)ccc1F 1298687482 ZOXKJOLBWUTYKE-CYBMUJFWSA-N 296.345 3.691 30 20 CHED Cc1ccc(SC[C@@H](C)Nc2cc(C#N)nc(C)n2)cc1 1458325648 NZYWWLKRSNIXPB-GFCCVEGCSA-N 298.415 3.558 30 20 CHED CC(C)Oc1cccc(NC(=O)c2cccc(CC#N)c2)c1 1522330761 WSQODMYFFOADLE-UHFFFAOYSA-N 294.354 3.792 30 20 CHED Cc1cccc(C)c1Cn1cc(C#N)c2ccccc2c1=O 1459172156 CJJRAMKHBCDWIC-UHFFFAOYSA-N 288.350 3.538 30 20 CHED N#CCCC[C@@H](NCc1ccc(C(=O)O)o1)c1ccccc1 1601064989 RMCKTJLPDXSIQW-OAHLLOKOSA-N 298.342 3.503 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N 226190918 UKLQBJJLBKCTBR-UHIISALHSA-N 273.336 3.703 30 20 CHED O=C(O)c1ccc(NN=Cc2cccc(F)c2)cc1Cl 1602382724 YZCUDBIBLXDPSM-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)C(C)(C)c1ccccc1 1612138644 FTYADLVWWNGEHX-LBPRGKRZSA-N 283.350 3.871 30 20 CHED Cc1cc(C#N)ccc1Oc1ccnc(-c2nccs2)n1 1611912351 OKSNGQVJFCZNGI-UHFFFAOYSA-N 294.339 3.573 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(O)ccc2C)cc1 1542615282 MOBJNHMULXCEAT-UHFFFAOYSA-N 294.354 3.570 30 20 CHED C[C@@H]1C[C@@H]1CNc1c(C#N)cnc2c(Cl)cccc12 1639279678 UGDBJHBKSIVPCX-NXEZZACHSA-N 271.751 3.828 30 20 CHED C#CCCCCN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 230668465 FBOUACCWWLYKDU-ZIAGYGMSSA-N 257.377 3.642 30 20 CHED C[C@H](NC[C@H]1CCC[C@@H]1C)c1ccc(OCC#N)cc1 230658232 PECFOPDGWBITSZ-OFQRWUPVSA-N 272.392 3.676 30 20 CHED COC(=O)c1cc(CSc2ccccc2C#N)cs1 1643710143 TZESKIQCWGUAHM-UHFFFAOYSA-N 289.381 3.699 30 20 CHED CC[C@@H](Nc1cccc(F)c1C#N)[C@@H](O)c1ccccc1 1652204624 RHHNQWMYYOYUAZ-WBVHZDCISA-N 284.334 3.621 30 20 CHED C=C(Cl)Cn1c(C)nnc1N(CC(C)C)C1CCCC1 1749253782 XBALGUODCMKGFO-UHFFFAOYSA-N 296.846 3.744 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC/C=C\c1cccc(F)c1 1656187085 YNHKJPBHBKNRJV-VSERLBFKSA-N 292.357 3.988 30 20 CHED C=CC[C@H]1CC[C@H](Nc2ccc(CCC(=O)O)cc2)C1 1588770660 CBIOLVVSTWMSQT-HOCLYGCPSA-N 273.376 3.861 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C(=O)O)c1ccccc1F 1588777964 NYRYFEDZRPSNPB-SWLSCSKDSA-N 279.355 3.676 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1 1657521100 DIEUZHHJSKDKJM-HZPDHXFCSA-N 256.393 3.863 30 20 CHED CCCCCCCC[C@H](C)C(=O)N[C@H]1CC=C(C(=O)O)C1 1595705055 OVLWSEINKILLMR-ZFWWWQNUSA-N 295.423 3.663 30 20 CHED CC(C)(C#N)CCCCOc1ccc(C#N)c(F)c1 232519720 IVKUTUMZRIMREB-UHFFFAOYSA-N 260.312 3.796 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cccc(C(=O)O)c1F 1777477213 JQRPOGCXYMLOIP-AATRIKPKSA-N 290.315 3.790 30 20 CHED C=CCC[C@H](CC(C)C)C(=O)NCC(CC)(CC)C(=O)O 1776166566 JPZNCZCFGFAYEP-CQSZACIVSA-N 297.439 3.622 30 20 CHED CCCON=C(C)c1ccc(-c2ccc(C(=O)O)o2)cc1 1776082431 QDQWGTVZCXSPGE-UHFFFAOYSA-N 287.315 3.795 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)c1cccc(C#N)c1 162991252 POWPFQVKXINNBA-GJZGRUSLSA-N 296.395 3.695 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCO[C@H](c3ccccc3)C2)n1 160595029 YRPOOSKSXSYRPU-IRXDYDNUSA-N 293.370 3.594 30 20 CHED CCC[C@@H](C(=O)N[C@H](C#N)c1ccccc1F)C(C)C 163080967 XLPVPCHTNSDIDQ-IUODEOHRSA-N 276.355 3.579 30 20 CHED COc1cc(C#N)ccc1COc1ccc(C#N)cc1Cl 154858701 KONMXMMDRGIDKP-UHFFFAOYSA-N 298.729 3.671 30 20 CHED CCCCCCCC(=O)N1CCCCC[C@@H]1C[C@@H](C)O 125207347 KZGMWWHSCZARQS-HZPDHXFCSA-N 283.456 3.889 30 20 CHED Cc1ccc(CNc2cccc(OCC#N)c2)c(C)c1 37069469 PMQDBHSYQDEYDV-UHFFFAOYSA-N 266.344 3.818 30 20 CHED N#CC1(C(=O)Nc2ccc(F)c(Cl)c2)CCCCC1 44385300 DVJJOIYNNOPUNK-UHFFFAOYSA-N 280.730 3.892 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)s1 50225278 UGGHXTAEDBFHTF-ZDUSSCGKSA-N 286.400 3.810 30 20 CHED N#Cc1ccc(NC[C@H]2CC2(Cl)Cl)c(Cl)c1 309549324 FHLGXRVYAKJCDX-MRVPVSSYSA-N 275.566 3.817 30 20 CHED CC[C@@H]1CCCC[C@@H]1Nc1ncc(C#N)cc1Cl 608885340 WDUMCUUAUQMCLU-YPMHNXCESA-N 263.772 3.987 30 20 CHED COc1ccc(C#N)cc1CN1CCCCCCCC1 321825155 DYYFSYMXXIGASZ-UHFFFAOYSA-N 272.392 3.723 30 20 CHED C#C[C@@H](N[C@@H](C)CCc1ccc(OC)cc1)C(C)(C)C 702250881 NWNHGSJZDGZJNV-WMLDXEAASA-N 273.420 3.654 30 20 CHED CN(Cc1ccc(CC#N)cc1)[C@@H]1CCC(C)(C)C1 483127331 WRNREVZVZCBVJB-MRXNPFEDSA-N 256.393 3.763 30 20 CHED CC1=C(C)CN(c2ccc(Br)cc2C#N)CC1 382998485 OAEMZBDVEUFZEN-UHFFFAOYSA-N 291.192 3.867 30 20 CHED C=CCC(C)(C)CNCc1ccc(OC)c(F)c1 386601276 HQZZSJUWPOSLLG-UHFFFAOYSA-N 251.345 3.526 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc2ccccc2[nH]1 104543981 WWIOHCMNMQVCLW-UHFFFAOYSA-N 297.402 3.960 30 20 CHED C#CCN(CCCC(C)(C)C#N)[C@@H]1CCc2ccccc21 174821320 VFSMUMNWURARGC-GOSISDBHSA-N 280.415 3.939 30 20 CHED CCCCCCCCCSc1nnc(N)s1 59089449 LGQQERLOENBENV-UHFFFAOYSA-N 259.444 3.963 30 20 CHED N#Cc1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl 106316945 ZZWORVQGDHECJV-UHFFFAOYSA-N 297.745 3.759 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](C)CC2CC2)c1 112736573 OMIKAAWJBWBNAK-GFCCVEGCSA-N 274.364 3.562 30 20 CHED C=CCN(CC=C)C(=O)c1oc2c(F)cccc2c1C 52538675 KSWIWLLXHXIKJM-UHFFFAOYSA-N 273.307 3.695 30 20 CHED C=CCN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 111242175 DXBCQQNPPFEFAG-KRWDZBQOSA-N 271.335 3.699 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CCCc2ccccc21 302481483 WOIZFTLMIOPRJC-KRWDZBQOSA-N 273.339 3.919 30 20 CHED CCc1cccc(N/C(N)=N/CC2(CC)CCC2)c1 304857720 ZWKZEUGKIAJOJX-UHFFFAOYSA-N 259.397 3.556 30 20 CHED C[C@H](CNc1ccc(C#N)cc1)Cc1cccs1 301443987 VEHRZFHGWSTCMK-LBPRGKRZSA-N 256.374 3.910 30 20 CHED N#Cc1cccc(Cl)c1NCc1ccc([N+](=O)[O-])cc1 301387095 XPVIFZPJRAHQAC-UHFFFAOYSA-N 287.706 3.732 30 20 CHED O=C1/C(=C/c2ccc(O)c(Cl)c2)Cc2c(O)cccc21 60132728 AKNNXPNHYVZXTE-UXBLZVDNSA-N 286.714 3.574 30 20 CHED Cc1cc(C(=O)O[C@H](C)CC#N)c(C)n1Cc1ccccc1 113695256 HGGNXJULOTUECM-CQSZACIVSA-N 296.370 3.612 30 20 CHED Cc1ccccc1[C@@H](NC(=O)NCCCCC#N)C(C)C 171968397 WZFSKJKTJUALHJ-INIZCTEOSA-N 287.407 3.685 30 20 CHED CC(C)Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 122052668 MRLDQLJAGINUOB-OAHLLOKOSA-N 272.392 3.553 30 20 CHED CC(C)C[C@@H](C)CC(=O)N(CC#N)c1ccccc1 171418589 VYBDVFSXZAZAQO-CQSZACIVSA-N 258.365 3.615 30 20 CHED N#CC1CCN(Cc2cc3ccccc3s2)CC1 123686161 QULBUUSNUMMHPA-UHFFFAOYSA-N 256.374 3.637 30 20 CHED N#Cc1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1 33528138 QQQBXNLRAQMCPS-NTMALXAHSA-N 272.307 3.982 30 20 CHED N#Cc1ccc(NCCc2cscn2)c(C(F)(F)F)c1 301509221 AUJCQYQKDJMVQA-UHFFFAOYSA-N 297.305 3.688 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2c[nH]nc2-c2ccccc2)C1 185899190 VSKKIPXWAQNJQJ-TZMCWYRMSA-N 266.348 3.571 30 20 CHED C[C@H](C[C@H](O)c1ccco1)Nc1c(Cl)cccc1C#N 301881405 IHVQWHUOPZQZTQ-MFKMUULPSA-N 290.750 3.729 30 20 CHED CC[C@H]1[C@@H](C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 409732762 VSXPSTCEVUFXFZ-CABZTGNLSA-N 283.297 3.597 30 20 CHED N#Cc1ccc(N2CCC[C@H]2CCC2CCCCC2)nn1 301951847 JCOAFPJPSOEPKJ-INIZCTEOSA-N 284.407 3.678 30 20 CHED C=CCc1ccccc1OCc1noc(C(C)(C)C)n1 76422934 LXUSWMDWFMHANP-UHFFFAOYSA-N 272.348 3.675 30 20 CHED CCSCc1cccc(NC(=O)C2(C#N)CCC2)c1 128709144 LOABLGWQEZXWBL-UHFFFAOYSA-N 274.389 3.572 30 20 CHED CC[C@H]1CC[C@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 434017929 VQRNRDRUEQDMHW-KKUMJFAQSA-N 276.424 3.744 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCCCCc1ccc(F)cc1 189133345 WSSWOGAXPRGUED-CQSZACIVSA-N 290.382 3.689 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 123577173 FQOZQDAODUBWQG-STQMWFEESA-N 298.308 3.617 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1 73769836 VJXRPDIGZMBJOI-CYBMUJFWSA-N 281.359 3.520 30 20 CHED CCO[C@H]1C[C@@H](NCCCC(C)(C)C#N)C1(CC)CC 187041757 VNVQUOLZXVOTGS-CABCVRRESA-N 280.456 3.890 30 20 CHED C=C(Cl)C[S@](=O)Cc1cccc(C(F)(F)F)c1 125039514 SQKDSDJWZLFRKF-QGZVFWFLSA-N 282.714 3.707 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(C2CCCC2)c1C 182620221 IJMKBKULRCIVHS-CYBMUJFWSA-N 289.423 3.781 30 20 CHED CCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)c(C)c1 185722749 FILNOHRSNWLURL-KBPBESRZSA-N 258.365 3.888 30 20 CHED C=CCCC(=O)N[C@@H](c1ccccc1)c1ccccc1OC 78567471 IFMZFCQCBGVZDH-IBGZPJMESA-N 295.382 3.867 30 20 CHED Cc1c(C#N)cccc1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 509457597 YZVJDYOITXMTNX-HACGYAERSA-N 282.387 3.660 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 185900785 DHXVJVBTUANMSP-OAHLLOKOSA-N 269.388 3.575 30 20 CHED C=CCSc1nncn1-c1ccc(C)c(Cl)c1 72735247 HQVSWFVSVIVQBD-UHFFFAOYSA-N 265.769 3.507 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1csc(C(C)C)n1 121573584 JOJPUMHWYWGWAM-UHFFFAOYSA-N 293.436 3.859 30 20 CHED CC[C@H](C#N)NC(=O)c1ccccc1SCC=C(C)C 123877803 HLLZUFJJLUDHMT-CYBMUJFWSA-N 288.416 3.777 30 20 CHED CC(C)CN(CC(C)C)C(=O)Nc1ccc(CC#N)cc1 79648851 VTKXZPNWULIRBT-UHFFFAOYSA-N 287.407 3.899 30 20 CHED C=CCCCC(=O)N1CC[C@](F)(c2cc(C)cc(F)c2)C1 501221676 MDMHBFRFYBNJRJ-QGZVFWFLSA-N 293.357 3.888 30 20 CHED COc1ccccc1[C@@H]1CCN(c2ccc(C#N)cc2F)C1 78021418 SFUWQJDKFSWUAJ-CQSZACIVSA-N 296.345 3.700 30 20 CHED CC#CCCCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 185962685 DCFSBMCCLCVNGQ-KSSFIOAISA-N 269.388 3.620 30 20 CHED CC[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C#N)cc1 414218457 ZPNKLADPYJPORE-YYIAUSFCSA-N 254.377 3.788 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)NC[C@H](C)C#N 182659388 MWQPTBNZIDPQLV-CJNGLKHVSA-N 287.407 3.541 30 20 CHED COCCC[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1 414166032 MWOUXSOADAKCLA-INIZCTEOSA-N 292.398 3.823 30 20 CHED C=CCC1(C(=O)N[C@H](C)[C@](C)(OC)C2CC2)CCCCC1 415920166 OUXGOCSVEPXNNH-PBHICJAKSA-N 293.451 3.833 30 20 CHED C[C@H](c1cccs1)N(C)Cc1cccc(C#N)c1 42227083 LHVMLXAAKPGSGV-GFCCVEGCSA-N 256.374 3.813 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)s1 41546267 ABFZFUPRSTXVMS-SNVBAGLBSA-N 282.324 3.688 30 20 CHED CCCN(CCC)c1ccc(C#N)c(Br)c1 228173313 SKWPKBZHUNLESY-UHFFFAOYSA-N 281.197 3.947 30 20 CHED CO[C@H]1Cc2ccccc2N([C@H](C)c2cccc(C#N)c2)C1 502507219 IHIDDCDWPMRZKQ-KDOFPFPSSA-N 292.382 3.697 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F 44958832 OHQNCGHLAKDSSD-NWDGAFQWSA-N 277.330 3.780 30 20 CHED CCCC[C@H](CC)/C(O)=N/S(=O)(=O)c1ccccc1C 46927963 FAQKTDUECCIIIQ-ZDUSSCGKSA-N 297.420 3.857 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C2CC2)cc1 416676663 CVTXOMXRDSHYEL-CHWSQXEVSA-N 272.392 3.889 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccsc1)C2=O 48985598 ORKBHNZZUFUJIS-GHXNOFRVSA-N 256.326 3.715 30 20 CHED C[C@]1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC=CCC1 410646306 YZGIVRISMMZZMW-HOCLYGCPSA-N 288.778 3.767 30 20 CHED Cc1ccc(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(O)n1 328873498 FFPKSZJPEXMDRV-BFHYXJOUSA-N 288.391 3.759 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 501596827 YNRVCJSQCGCTEY-MRXNPFEDSA-N 263.356 3.995 30 20 CHED N#CC1(NC(=O)c2ccccc2C(F)(F)F)CCCCC1 40216391 RQIRSYQHAQZCQN-UHFFFAOYSA-N 296.292 3.662 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@@H]2C2CCCCC2)cc1 610271515 VJTBLRSNGVILIS-IAGOWNOFSA-N 254.377 3.617 30 20 CHED C#CCCCC(=O)N(CC)C12CC3CC(CC(C3)C1)C2 192059566 MLQPFJHDNLYXPO-UHFFFAOYSA-N 273.420 3.607 30 20 CHED C=CCN(C)[C@@H](C)c1ccc(Br)cc1 194971023 MEXXADSNZOJERX-JTQLQIEISA-N 254.171 3.628 30 20 CHED Cc1nnc(N[C@@H]2CCC[C@@H](C(C)C)C2)c(C#N)c1C 505576811 LRDPFXFIGLYGBK-ZIAGYGMSSA-N 272.396 3.592 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)N2CCCC23CCCCC3)o1 329282496 MYBFSKLHGSXEOY-CYBMUJFWSA-N 291.395 3.757 30 20 CHED CC[C@H]1C[C@H](C(O)=Nc2c(C)noc2C2CC2)CC(O)=N1 329773026 LEWJLUCOIGUQNW-QWRGUYRKSA-N 291.351 3.594 30 20 CHED CC(C)C1(C)CCN(C(=O)C2(C#N)CCCCC2)CC1 190322893 BKYBDWKGAYURMZ-UHFFFAOYSA-N 276.424 3.745 30 20 CHED CC(C)COc1ccc(NC(=O)C(C)(C)C#N)cc1Cl 42108256 CHUAOPDTDBTSDH-UHFFFAOYSA-N 294.782 3.863 30 20 CHED Cc1c([C@@H](NC(=O)NCCC#N)C(C)C)oc2ccccc12 426435153 BJGKALLRBMUHJJ-HNNXBMFYSA-N 299.374 3.651 30 20 CHED C[C@H](N[C@H](C)[C@H](C)O)c1ccc(-c2cccc(C#N)c2)cc1 515084460 HWGUXNIRJGBBRT-ILXRZTDVSA-N 294.398 3.645 30 20 CHED N#CCc1cccc(C(=O)Nc2ccccc2Cl)c1 42191958 GOXVTRPOPAWXFB-UHFFFAOYSA-N 270.719 3.658 30 20 CHED Cc1nc(N(C)C2CCCCC2)c(Cl)cc1C#N 381039427 VLTPLASSNFZJLS-UHFFFAOYSA-N 263.772 3.684 30 20 CHED Cc1cc(NC(=O)N(C)[C@H](C)CC#N)ccc1OC(C)C 86299545 QRHDKUZPLUHVHB-CYBMUJFWSA-N 289.379 3.548 30 20 CHED CCOc1ccc(COc2ccc(C#N)cc2Cl)nc1 83203115 JPHAEMUDKIODND-UHFFFAOYSA-N 288.734 3.584 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1cccc(C#N)c1 43330010 RKJLWSDZVRGJIR-UHFFFAOYSA-N 279.343 3.531 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCC1(c2cccc(OC)c2)CC1 519591968 KJZMSKHDEKTEGP-HUUCEWRRSA-N 273.420 3.917 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1c(C)noc1CC 89418378 JAESBWBMFUEYBE-UHFFFAOYSA-N 299.374 3.766 30 20 CHED COC1([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)CCCC1 421860089 SUSFWSLMUIYWOK-KDOFPFPSSA-N 298.430 3.873 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2SCC)CC1 428347427 HULWHUYVEMRKFS-CABCVRRESA-N 296.480 3.658 30 20 CHED Cc1ccc(C)c([S@@](=O)CCCC(C)(C)C#N)c1 87611187 JMWOIHPHYXNYON-GOSISDBHSA-N 263.406 3.741 30 20 CHED CCCN(CCSC(C)C)Cc1ccc(C#N)cc1 513971113 DFSGPWLEKQEIBB-UHFFFAOYSA-N 276.449 3.912 30 20 CHED CSc1cc(O)ccc1NC(=O)Nc1cccc(C#N)c1 192168450 JLZFBEYJBJKLCV-UHFFFAOYSA-N 299.355 3.630 30 20 CHED Cc1cc(Cl)ccc1NC(=O)N(C)CC(C)(C)C#N 335840817 QTOWZWVDNOGVEN-UHFFFAOYSA-N 279.771 3.662 30 20 CHED C#CCCCC(=O)N[C@H](C(=C)C)c1ccc(F)c(F)c1 190719510 IFUPJHGKGGQCNO-MRXNPFEDSA-N 277.314 3.502 30 20 CHED CC(C)(C#N)CCCC[S@](=O)c1cccs1 232526640 SUTDMVIIKZWSAO-INIZCTEOSA-N 255.408 3.576 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2Cl)s1 335843006 RFVHBQUQKVESQG-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=CC1CCN(C(=O)c2nc(-c3ccccc3)oc2C)CC1 336632351 AZDPBBCKXFHTBG-UHFFFAOYSA-N 296.370 3.688 30 20 CHED Cc1c(NC(=O)[C@H]2CCC[C@H](C)C2)ccc(C#N)c1C#N 421563210 WTIUPDMPUCRSPT-AAEUAGOBSA-N 281.359 3.503 30 20 CHED C=CCOCCCC(=O)Nc1cccc2ccsc12 337471388 VSQLMTWIGPQPHD-UHFFFAOYSA-N 275.373 3.823 30 20 CHED CC(C)Oc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 424330031 QAQZRPXAHYXLDW-IJEWVQPXSA-N 272.392 3.817 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC1(c3ccccc3)CC1)CC2 336396246 CVNXYMGVACVDEU-SFHVURJKSA-N 274.367 3.824 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cc3cccc(C)c3o2)n1 146846113 PWMAYMHSMHKZKD-LBPRGKRZSA-N 296.351 3.996 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1 335953481 SEWJUUZMJGBBCQ-BFUOFWGJSA-N 292.382 3.992 30 20 CHED CC(C)[C@H](O)C(C)(C)CNc1ccc2cc(C#N)ccc2n1 92924856 GAIHORSWQQMNAH-KRWDZBQOSA-N 297.402 3.561 30 20 CHED C[C@H]1C[C@H](C/N=C(/O)N[C@H](C)CCC(C)(C)C)CCO1 330631182 FGHUJQGHPBGZSS-HZSPNIEDSA-N 284.444 3.520 30 20 CHED CC(C)[C@H]1N(Cc2cc(C#N)cs2)CC12CCC2 430097438 QXFDUJCRZATRLX-CQSZACIVSA-N 260.406 3.630 30 20 CHED C=CCCCCCCNCc1sc(C)nc1C 383648844 DBXJZLKHYDVBBW-UHFFFAOYSA-N 252.427 3.986 30 20 CHED C=CCC[C@H](NCc1cccnc1OCCC)C1CC1 439066907 DZWGPDYDXHALKH-INIZCTEOSA-N 274.408 3.705 30 20 CHED C#CCCCCC(=O)N(CC)Cc1ccc(Cl)s1 179683999 NJJVUAHXZZYIKP-UHFFFAOYSA-N 283.824 3.944 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 335558685 IXIHYLDXOHEGAE-UKRRQHHQSA-N 257.377 3.808 30 20 CHED C[C@@H](c1ccccn1)N(C)CC#Cc1cccc(Cl)c1 91704072 ZBHURHPUMQARGS-AWEZNQCLSA-N 284.790 3.780 30 20 CHED CC1(C#N)CCC(N[C@H]2CCCc3c(O)cccc32)CC1 334679470 WALOKABHBIBBGC-MNQCNDSGSA-N 284.403 3.832 30 20 CHED CCOc1cccc(/C=C2\Cc3c(O)cccc3C2=O)c1 97152279 VRGOFSKFIATBKW-UKTHLTGXSA-N 280.323 3.613 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@H](c2ccccc2F)C1 339374522 FJMHILQJPGRSDQ-AWEZNQCLSA-N 298.336 3.826 30 20 CHED C=CCN(CC=C)C(=O)c1cc(Cl)ccc1OC(C)C 98102632 XYCJBNRKZZETBN-UHFFFAOYSA-N 293.794 3.941 30 20 CHED C#CCCCCN[C@H](c1ccc(OC)cc1)C(C)C 91377847 MYSDOUDUVVSWGF-KRWDZBQOSA-N 259.393 3.785 30 20 CHED COc1ccc(Cl)c(Cn2nc(C#N)c3ccccc32)c1 432476222 IDSCAZJDGPLWLP-UHFFFAOYSA-N 297.745 3.618 30 20 CHED Cc1nsc(N[C@@H]2CCCc3ccccc32)c1C#N 92912337 MSVWSCXJQKWTHM-CQSZACIVSA-N 269.373 3.813 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)c(C#N)c1 525662778 MMGCHQFQMMISBF-OLZOCXBDSA-N 281.359 3.585 30 20 CHED CC1(C)CCCN(C(=O)C2C[C@H]3CCC[C@H](C2)C3)[C@@H]1C#N 435971207 KWRBTNRAPVBNOA-OFQRWUPVSA-N 288.435 3.744 30 20 CHED Cc1ccnc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1C#N 431505799 KXTFCLNHGJAYCP-CTYIDZIISA-N 281.334 3.759 30 20 CHED Cc1ncc(CNc2cccc(C#Cc3ccccc3)c2)cn1 349767763 KDUFZIZTHPSRLN-UHFFFAOYSA-N 299.377 3.797 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cccc2ccccc12 343579782 DXORWHHPUGBERE-CYBMUJFWSA-N 250.345 3.794 30 20 CHED C=C(CNc1nccc(C(F)F)n1)c1ccccc1 340918317 QYFRNKNJEMDOKI-UHFFFAOYSA-N 261.275 3.540 30 20 CHED C=CCCCCNC(=O)N(C)CC1(c2ccccc2)CC1 436377290 MDMJNHBBUUWCKC-UHFFFAOYSA-N 286.419 3.716 30 20 CHED Cc1cc(CN2CCC(c3ccncc3)CC2)ccc1C#N 348933306 IGCFTQVCTMOMGU-UHFFFAOYSA-N 291.398 3.641 30 20 CHED CC[C@@]1(C)CCN(C(=O)c2cccc(SCC#N)c2)C1 344343667 HGIWBYQZNJNOQN-INIZCTEOSA-N 288.416 3.564 30 20 CHED Cc1sc(NC(=O)[C@@H]2CC[C@H](C)C2)c(C#N)c1C 345234849 VQDDBAJCXCEEOJ-GZMMTYOYSA-N 262.378 3.611 30 20 CHED N#Cc1ccc(Cn2nccc2-c2cccnc2)c(Cl)c1 438910943 IIQOJAXRUUMPNC-UHFFFAOYSA-N 294.745 3.518 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@H](C)c1ccc(C#N)cc1 602444784 PXLMGZPMWZZICA-LSDHHAIUSA-N 269.392 3.881 30 20 CHED C=CCC[C@H](NCCCN1CCCC[C@H]1C)C1CC1 439084510 LBCCTKVNHJGLLQ-WBVHZDCISA-N 264.457 3.585 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C[C@H]1C[C@@H]1c1ccccc1 341427714 XUMOSNHTPCKUMW-CZUORRHYSA-N 294.329 3.830 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1c1nc(-c2ccc(C(C)C)nc2)no1 347157373 ZIKNFGZWCBTAMC-DZGCQCFKSA-N 299.374 3.704 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1coc2ccccc12 255597449 DFGBKGDDFXUKKM-HJWRWDBZSA-N 288.306 3.977 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc(Cl)cc(Cl)c1F 602353192 AEEVRFPRSOSDTF-MRVPVSSYSA-N 289.137 3.507 30 20 CHED N#CCC(=O)Nc1ccc(Cl)cc1Nc1ccccc1 447698610 CYRNEKXFTKDWDP-UHFFFAOYSA-N 285.734 3.936 30 20 CHED COc1ccccc1[C@H]1CC[C@@H](C)CN1CCCC#N 352250293 GAOQRAMZGDCCNR-GDBMZVCRSA-N 272.392 3.772 30 20 CHED C=CCOCCCSCc1csc(CC)n1 359134920 QYQICXZMGAYEAG-UHFFFAOYSA-N 257.424 3.531 30 20 CHED C=CCn1c(C)nnc1SCc1ccccc1SC 357758452 MMFSWDBXKNXOQP-UHFFFAOYSA-N 291.445 3.787 30 20 CHED C=CCCOCCCCC(=O)N(C)c1ccc(F)c(F)c1 539398901 NQLCQELPNNCZCB-UHFFFAOYSA-N 297.345 3.691 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(Cn2cncn2)cc1 449078477 XWJBGSIKDBXXSK-MRXNPFEDSA-N 298.434 3.551 30 20 CHED CCCC[C@@H](C)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 352410212 PCMJYSGDLZETQK-CYBMUJFWSA-N 298.390 3.619 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(Oc2ccccc2)o1 353293380 FPSCDKQKOYMGSI-UHFFFAOYSA-N 298.342 3.694 30 20 CHED N#CCN[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 538323778 UOSQDXUFOJLYHE-GFCCVEGCSA-N 288.700 3.923 30 20 CHED COCCN(CCCCC(C)(C)C#N)[C@@H]1CCC[C@@H]1C 444692412 MBWMDXDXYMLFFK-JKSUJKDBSA-N 280.456 3.843 30 20 CHED C=CC(C)(C)CN[C@@H]1CCN([C@@H](C)c2ccccc2)C1 449484607 IHAMYGHIRVKWEK-DOTOQJQBSA-N 272.436 3.624 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@H](C(C)(C)C)CC1 449876856 MYLGTUFDGKVLNP-ZDUSSCGKSA-N 251.414 3.873 30 20 CHED C=C(C)CN[C@H](C)c1ccc(OCc2cccnc2)cc1 537022514 OIRZYQIRJKGASZ-OAHLLOKOSA-N 282.387 3.887 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1ccc(F)c(Cl)c1 614800152 JXQZVMYLCDBHHA-SNVBAGLBSA-N 289.741 3.597 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1CC1(C)C)c1ccccc1 535397104 CPLLYMUKEKQFNL-UKRRQHHQSA-N 257.377 3.509 30 20 CHED CCc1c(N[C@@H]2CCC[C@@H](C#N)C2)cnn1CC(C)C 613255908 UEMXQJDGWMRYNL-ZIAGYGMSSA-N 274.412 3.596 30 20 CHED CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2)C1(CC)CC 537313057 VVNTZJLMSIWDNZ-IRXDYDNUSA-N 286.419 3.632 30 20 CHED COCC(C)(C)CCCN[C@H]1CCc2ccc(C#N)cc21 353594509 GYTGILCRYOVQOS-KRWDZBQOSA-N 286.419 3.588 30 20 CHED C=C(C)CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 448551212 WBJLNQHIAZCOFM-NSHDSACASA-N 283.824 3.903 30 20 CHED CC[C@H](NCc1ccnc(C#N)c1)c1cccc(Cl)c1 611378468 VMIVEXXIQMXNSA-INIZCTEOSA-N 285.778 3.848 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1Cc2ccccc21 359434008 YIPGTHFVJZJAJE-KRWDZBQOSA-N 284.403 3.505 30 20 CHED C=C(CC)CSc1nnc(-c2ccc(F)cc2)n1C 536899623 FJAFWTRXJZRTRH-UHFFFAOYSA-N 277.368 3.680 30 20 CHED C=CCCCc1nc(-c2cc(C)c(O)c(C)c2)no1 445463797 KBVDRJKJPSTBSP-UHFFFAOYSA-N 258.321 3.568 30 20 CHED CC1=CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 619561388 WYQCCEAPMVKUSB-UHFFFAOYSA-N 295.169 3.657 30 20 CHED C=CCC1(C(=O)NCCc2ccccc2F)CCCC1 449084484 HBXBCDZGAAODOO-UHFFFAOYSA-N 275.367 3.621 30 20 CHED CC(C)C1(CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 356371903 SAPYXHFSLQRLNC-MRXNPFEDSA-N 284.403 3.626 30 20 CHED C[C@H](CN(C)C(=O)c1cc(C#N)cs1)C1CCCCC1 530038840 NKIMCSOITWJRLR-GFCCVEGCSA-N 290.432 3.908 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(OCC2CCCCC2)cc1 530817789 ZVQNDHVHDGHAHK-ZDUSSCGKSA-N 286.375 3.744 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N[C@H](C)c1cccc(C#N)c1 610351383 RNMFFPTZQGZPKW-OEUWWYETSA-N 299.418 3.743 30 20 CHED C=CC(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2 452779412 SOVWNPCESHFYOB-UHFFFAOYSA-N 261.409 3.531 30 20 CHED C=CCN(C(=O)c1ccnc(Oc2ccccc2)c1)C1CC1 539034438 FPOXHCWZXUYNLL-UHFFFAOYSA-N 294.354 3.665 30 20 CHED C=C(CC)CNC(=O)C(C)(C)c1ccc(Cl)cc1 456831834 VGFGXIAJXVJDOQ-UHFFFAOYSA-N 265.784 3.700 30 20 CHED C=C(C)CNC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 362648552 JWUPABXDGQFHNA-KBPBESRZSA-N 257.377 3.668 30 20 CHED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccccn1 613409326 VFLFTUPUKPAJAB-GFCCVEGCSA-N 280.375 3.819 30 20 CHED CC1(C)CCCN(C(=O)Cc2cc3ccccc3o2)[C@H]1C#N 617986284 ZSAHSGFMJFREBL-INIZCTEOSA-N 296.370 3.516 30 20 CHED C[C@@H](C(=O)NCC(C)(C)C#N)c1c(Cl)cccc1Cl 611688536 VORCRJLFWDEPJL-SECBINFHSA-N 299.201 3.763 30 20 CHED CCCC1(CNC(=O)Nc2cccc(CC#N)c2)CCC1 455924587 WEYUJKQLJFIWPH-UHFFFAOYSA-N 285.391 3.845 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCCOC1CCCC1 611392566 WHGCCGBNFFDQKN-IBGZPJMESA-N 298.430 3.875 30 20 CHED C[C@@H]1c2ccsc2CCN1c1cccc(C#N)c1[N+](=O)[O-] 450228702 MWIZANDOJKULHX-SNVBAGLBSA-N 299.355 3.652 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(NC(C)=O)cc1 453311756 SVVNYLWKDQBFBP-LBPRGKRZSA-N 260.381 3.508 30 20 CHED C=CCC[C@@H](CCC)NCC(C)(C)N1CCC(OC)CC1 360240032 SFURXKWHJZMHBK-MRXNPFEDSA-N 296.499 3.600 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1 270183570 AECUBIVTQFBVQC-HNNXBMFYSA-N 296.395 3.791 30 20 CHED C[C@H](C#N)CNC(=O)N[C@H](CC1CCCCC1)C(C)(C)C 541020453 NHMACNRXRFCBMO-UKRRQHHQSA-N 293.455 3.830 30 20 CHED COc1ccccc1C[C@H](NCCC(C)(C)C#N)C(C)C 541635891 ULCJJCROEHCOSQ-INIZCTEOSA-N 288.435 3.792 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)CC[C@H]3N(C)C)CCC1 456303441 GXUJGBPIHAPTHW-QGZVFWFLSA-N 298.430 3.920 30 20 CHED Cc1cc(CSCC[C@H]2CCCO2)ccc1C#N 362474289 RYKGYGNLGOFDCL-OAHLLOKOSA-N 261.390 3.669 30 20 CHED Cc1cccc2c1CC(C)(C)N(CCCCC#N)C2 451263198 QOSSWLUPPGEEDL-UHFFFAOYSA-N 256.393 3.826 30 20 CHED N#Cc1cccnc1N[C@H]1CC[C@H](c2cccc(F)c2)C1 360050597 BZXNACYIQAGEMN-BBRMVZONSA-N 281.334 3.841 30 20 CHED N#Cc1ccncc1N1CCC(c2ccc(F)c(F)c2)CC1 271312342 SQUIKRSIEYBSTI-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=CCC1(NC(=O)c2c(C)nsc2C)CCCCC1 456368006 OLHCVRVVMHISKL-UHFFFAOYSA-N 278.421 3.769 30 20 CHED C[C@H](Cc1cccc(C(F)(F)F)c1)NCC1(C#N)CC1 545285279 PTFZGMGVWUWBDW-LLVKDONJSA-N 282.309 3.530 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2oc(C)c(C)c2c1 360635488 KGKGNOAFMPZDDN-VIFPVBQESA-N 258.321 3.746 30 20 CHED N#Cc1ccc(N[C@@H]2CCCc3c(F)cc(F)cc32)cn1 450548889 AOLQWFGZHXBTAF-MRXNPFEDSA-N 285.297 3.721 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CCC)C1CCC1 453204573 BZDOVEAUKVKPRT-JYJNAYRXSA-N 251.414 3.526 30 20 CHED CC[C@@H](NC[C@@](C)(O)c1ccccc1)c1ccc(C#N)cc1 278383271 DHESUXPEHLCSOC-RTBURBONSA-N 294.398 3.507 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC2CC2)c(F)c1Cl 278919920 AGCMXOBWPJPHIM-UHFFFAOYSA-N 294.757 3.553 30 20 CHED C=C[C@@H](CC(=O)NC[C@H]1CCCCS1)c1ccccc1 543129036 JFOBWLKTALFPKX-GOEBONIOSA-N 289.444 3.748 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 370596180 DNAFIDJPLVFHML-AWEZNQCLSA-N 292.329 3.568 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)NCC#Cc1ccccc1 466248610 DTPSBQQHHJMOKI-GOSISDBHSA-N 298.430 3.648 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CC1(c2ccccc2)CC1 467887646 GERADOLPHIPYJC-QGZVFWFLSA-N 271.404 3.779 30 20 CHED C=CCCOCCCCc1nc([C@@H](C)c2ccco2)no1 621796205 YQNBBMVHGIWREP-ZDUSSCGKSA-N 290.363 3.730 30 20 CHED CCC[C@@]1(NCc2ccccc2C(C)(C)C#N)CCOC1 285580599 OHSLNUHCPGTMTD-GOSISDBHSA-N 286.419 3.537 30 20 CHED C=CCN(C)Cc1ccc(Br)c(Cl)c1 469798531 SUVPYTZLUVIXIH-UHFFFAOYSA-N 274.589 3.720 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(Cl)c1OC 466405869 UKEOQAZKNURXSV-SNVBAGLBSA-N 282.771 3.825 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 280620189 GRMYLHCYPBCUAH-PBFPGSCMSA-N 275.367 3.790 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](SC)c1ccccc1 281017983 GHXACNIJYCBHEA-UONOGXRCSA-N 263.406 3.562 30 20 CHED C=CCCO[C@H](C)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 286627829 RUPPUXBWHUCOME-BFYDXBDKSA-N 287.403 3.577 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 281260796 GXFWOYDEWBSJFV-QGZVFWFLSA-N 299.418 3.833 30 20 CHED C=CCC1(c2nc([C@H](C)C(=O)OC(C)(C)C)no2)CCC1 289056886 IBHXXGPIGCDBCV-NSHDSACASA-N 292.379 3.513 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C)(C)OC(C)C 460021986 QJPUMAKLZYCNDM-UHFFFAOYSA-N 293.382 3.544 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(N(C)C)cc1 280903760 DYTHTZGODUVMAB-DHZHZOJOSA-N 297.402 3.735 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 281185221 ZDUUHEQZSMHKIC-CYZMBNFOSA-N 279.330 3.539 30 20 CHED C#C[C@H](C)N[C@H](C)CCc1cccc(C(F)(F)F)c1 809683787 OZHYSYZCEMZQHW-NWDGAFQWSA-N 269.310 3.638 30 20 CHED C=CCOCCN(C)[C@@H](C)c1sc(C(C)C)nc1C 293704828 DDWOZUPCWZCJMR-ZDUSSCGKSA-N 282.453 3.770 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 475624849 NKIPVRNPORRYOG-GFCCVEGCSA-N 262.422 3.878 30 20 CHED C#C[C@H](NCc1ccc(OCCC)c(OC)c1)C(C)(C)C 809781460 RRQZCWMTOXQHRN-KRWDZBQOSA-N 289.419 3.622 30 20 CHED C#C[C@H](NC(=O)c1oc2c(C)cccc2c1C)C(C)(C)C 807878724 ZUZRHAJWBMMYTC-AWEZNQCLSA-N 283.371 3.827 30 20 CHED C=CCCCCCCNC(=O)N1C[C@H](C)S[C@@H](C)C1 806003291 BSSCJZJFLACEHO-KBPBESRZSA-N 284.469 3.658 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC12CCOCC2 569318352 DZOFYVZMNISVPU-QZTJIDSGSA-N 285.431 3.723 30 20 CHED C=CCCc1noc([C@H](C)OCCc2ccccc2)n1 296637678 BUSCAITYRDIUTG-ZDUSSCGKSA-N 272.348 3.509 30 20 CHED Cc1ccc(F)cc1NC(=O)[C@@]1(C#N)CC12CCCC2 294211883 CHOYVQWCAZJZLS-INIZCTEOSA-N 272.323 3.547 30 20 CHED C=CCCCCCCNC(=O)c1c(C)nn(CCC)c1C 805219363 HTEQLOIKBXJEDK-UHFFFAOYSA-N 291.439 3.776 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cc(C)cc(Cl)n1 800495896 QXVBOPIPDKVYMI-VXGBXAGGSA-N 252.789 3.734 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H]1CCCc2ccccc21 568582295 CCIKYGKPUGSPIA-QGZVFWFLSA-N 294.398 3.824 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1nccn1-c1ccccc1 803073472 RRJLCYVKLUDLCG-AWEZNQCLSA-N 284.359 3.833 30 20 CHED C[C@H](C#N)CN(C)C(c1ccccc1)c1ccccc1 298670107 JBASEQMISFRENF-OAHLLOKOSA-N 264.372 3.867 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2cc(C)ccc2n1 293942294 FYGHCVSRUIOXGY-UHFFFAOYSA-N 268.360 3.581 30 20 CHED CC(C)c1nc(CN(C[C@H](C)C#N)C2CC2)c2ccccn12 569250576 SJBUVPWEGKKQKL-CQSZACIVSA-N 296.418 3.582 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2ccsc2)cc1 564873057 SUOAQECDZOWVNC-HNNXBMFYSA-N 284.384 3.647 30 20 CHED C=CCCCCNC(=O)N(C)C1CCC(CC)CC1 474089643 TZEIUNOROWVTRG-UHFFFAOYSA-N 266.429 3.953 30 20 CHED C=CCCCCNC(=O)C1(c2ccc(Cl)cc2)CC1 471671715 XEMNZBKBIQPTFL-UHFFFAOYSA-N 277.795 3.844 30 20 CHED Cc1cc(C)cc(NN=Cc2cccnc2Cl)c1 814753581 QPGSYLZJKKMEDP-UHFFFAOYSA-N 259.740 3.798 30 20 CHED Cc1nn(C)c(Cl)c1/C=C\C(=O)c1cccc(Cl)c1 812487275 IMMUHPNPSLEQOK-SREVYHEPSA-N 295.169 3.931 30 20 CHED C=CCCN(CCC1CCOCC1)OCc1ccccc1 814632840 CBHYIRFJYQUHOS-UHFFFAOYSA-N 289.419 3.813 30 20 CHED Cc1ccc(C[C@@H](NCCCCC#N)C(C)C)cc1 482436150 IQBURMOSGXBPRO-QGZVFWFLSA-N 258.409 3.846 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@](C)(C#N)C(C)(C)C 483978389 NVSSJSCMLCHZRE-XJKCOSOUSA-N 264.413 3.647 30 20 CHED C=CCN(CCC#N)C(=O)/C=C(\C)c1cccc(Cl)c1 814134357 HIACMQLQDKVJML-ACCUITESSA-N 288.778 3.672 30 20 CHED CC1(C)CC[C@H](Sc2cccc(F)c2C#N)C1=O 563439104 KFIYAMSBSIEUDC-LBPRGKRZSA-N 263.337 3.547 30 20 CHED Fc1ccc(NN=Cc2cn[nH]c2-c2ccc(F)cc2)cc1 812377675 ORIAZFWKWMMMAA-UHFFFAOYSA-N 298.296 3.801 30 20 CHED CC(C)c1cnc(C=NNCCc2ccccc2F)s1 814875528 LRPJEPMZYOFGJS-UHFFFAOYSA-N 291.395 3.572 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 811998128 URXQFGKAYUZCEB-DOMZBBRYSA-N 292.810 3.700 30 20 CHED C=CCC(C)(C)CNC(=O)CO[C@@H]1CCCC[C@H]1CC 489795237 ICFIVAXTFBBALP-HUUCEWRRSA-N 281.440 3.690 30 20 CHED C=CCC[C@@H](CCC)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 819734695 RLWICEMLVMREFC-CZUORRHYSA-N 299.422 3.652 30 20 CHED COc1cc(C#N)cc(OCc2ccccc2SC)c1 486111176 UTEMKGAIMRQUTA-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C[C@@H]1CCN(C(=O)c2ccccc2SCC#N)[C@H](C)C1 819681248 LJOULQFOUVFBJY-CHWSQXEVSA-N 288.416 3.563 30 20 CHED CC(C(=O)N(C)[C@H](C)c1cccc(C#N)c1)=C1CCCC1 819736344 IDOMTAFMOWSYSL-CQSZACIVSA-N 282.387 3.968 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)OC1CCCCC1 488874835 FLVKEZULTMSHQL-HOCLYGCPSA-N 279.424 3.681 30 20 CHED C=CCCCN[C@@H](C)c1ccc(N2CCCCC2=O)cc1 810132535 PPNCYVXVGURYRJ-HNNXBMFYSA-N 286.419 3.820 30 20 CHED C=CCC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)C2(C)C)c1ccccc1 488985053 QUNCQYVDUNCJJJ-ZACQAIPSSA-N 283.415 3.851 30 20 CHED C[C@H](CCSc1ccccc1)OC(=O)CCCC#N 812616895 USHSJWJWLOJYMI-CYBMUJFWSA-N 277.389 3.794 30 20 CHED CCCCCCCC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 819260969 JEKMLPOHHMARCN-IAGOWNOFSA-N 279.424 3.517 30 20 CHED Cc1ccc(C)c(CC(=O)OCc2ccc(C#N)cc2F)c1 728114485 VAQUTJAKNXRUBX-UHFFFAOYSA-N 297.329 3.600 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1(Cc2ccccc2)CC1 483234427 RKBJGTAMXNHOAZ-OAHLLOKOSA-N 286.419 3.806 30 20 CHED CCc1ccc([C@H]2CN(CCC(C)(C)C#N)CCO2)cc1 576733946 JTEZLHHROGPPCV-QGZVFWFLSA-N 286.419 3.562 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCCC[C@H]1CCC 815371029 FWYMQIQENJKFGX-VXGBXAGGSA-N 259.340 3.673 30 20 CHED C[C@@H](C=NNC[C@H]1CCSC1)CCc1ccccc1 811659890 APXIINCUZYIPBZ-GDBMZVCRSA-N 276.449 3.584 30 20 CHED C#CCCCOC(=O)[C@H](C)Sc1ccc(Cl)cc1 727040564 KFGKTAOWZPYAIB-NSHDSACASA-N 282.792 3.777 30 20 CHED CC(=NNc1ncnc2sccc12)c1ccccc1F 725818467 NGGKUWZDJPIVGF-UHFFFAOYSA-N 286.335 3.667 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc(F)cc2)c(Cl)c1 727651579 GOIFMDKTJMXXAK-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc2oc(C)nc12 821900227 GJTCHSISEMKWHT-NSHDSACASA-N 258.321 3.677 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CC)c2ccc(Cl)cc2)nc1 728807244 YOXXRVRCKVZAOS-HNNXBMFYSA-N 298.773 3.597 30 20 CHED C#CCCCCCC(=O)OCC[C@]1(C)C[C@]1(F)Cl 822048302 IOKMKEWROQYIJD-ZIAGYGMSSA-N 274.763 3.818 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@](C)(C#N)C1 821868002 NISICNHMLYBNLU-IEBWSBKVSA-N 298.430 3.716 30 20 CHED C#C[C@@H](NCc1cc2cc(Cl)cnc2o1)C(C)(C)C 824401363 DGYZKHOMCPBTMM-CYBMUJFWSA-N 276.767 3.619 30 20 CHED C#CCCOc1ccc(C(=O)N(CC(C)C)C(C)C)cc1 822924981 UKZBMSNVIZPDHQ-UHFFFAOYSA-N 287.403 3.595 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCC(F)(F)C1 499585555 VVGDJWYTNIXGQK-YPMHNXCESA-N 259.340 3.530 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc2cccc(F)c2o1 571942974 LKDBFNZNMMCZIV-LOWVWBTDSA-N 272.323 3.915 30 20 CHED C=CC(C)(C)CNCc1sc2nc(C)nc(C)c2c1C 824783977 YPLJWLKZKAVYNR-UHFFFAOYSA-N 289.448 3.918 30 20 CHED C#C[C@H](OC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 821611842 XSIOTFSIFIYGCR-SFHVURJKSA-N 289.334 3.628 30 20 CHED Cc1ccc(/C=C\C(=O)c2cnn(C)c2C)cc1Cl 588596084 MWPVEVKBJYGPMR-SREVYHEPSA-N 274.751 3.586 30 20 CHED C=CCCC[C@H](C)NC(=O)/C=C\c1ccc(Cl)nc1 588385839 MODOMNCIXOFFRE-CUZBXDDWSA-N 278.783 3.609 30 20 CHED Cc1ccc(OC(F)F)c([C@@H](C)NCC2(C#N)CCC2)c1 903032055 PCMIJBLEHUUIIF-GFCCVEGCSA-N 294.345 3.941 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@H]1CCCC[C@@H]1C 820742666 XBSZSHZJDFVXKC-OFQRWUPVSA-N 268.397 3.585 30 20 CHED N#Cc1sccc1C(=O)N1CCC[C@@H](c2ccccc2)C1 908371007 AQKFFHNLYQHWFV-CQSZACIVSA-N 296.395 3.640 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@H](Cc1ccccc1)C(=O)O 901872497 QWTHPKOHTRUIGL-MPTYRVRUSA-N 289.419 3.509 30 20 CHED CC1(C)CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F 492937893 SGBYGZAURPKMBB-AWEZNQCLSA-N 294.345 3.828 30 20 CHED C=CCCCOc1cccc(N=S2(=O)CCCC2)c1 902484635 MWKDCVWJBJEPLU-UHFFFAOYSA-N 279.405 3.925 30 20 CHED CCCCN(C(=O)C#CC1CC1)[C@@H](C)c1ccc(C)o1 837375651 JBOCFYJZXKLFHD-AWEZNQCLSA-N 273.376 3.691 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nc3ncc(Cl)cc3o2)C1 901670987 BIKXNTAHYQRUOH-APPZFPTMSA-N 279.752 3.661 30 20 CHED Cc1cncc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)c1 588476433 LYLLMFZODOTOJU-PLNGDYQASA-N 267.328 3.609 30 20 CHED CC(C)C(C)(C)CN[C@H]1CCc2ccc(C#N)cc21 584083375 NVDJZNXPKLRCFY-INIZCTEOSA-N 256.393 3.817 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cscc1C 491706527 NIOFUVPWLRGQAB-UHFFFAOYSA-N 284.384 3.724 30 20 CHED Cc1ccc(Oc2ccc(NC(=O)C(C)(C)C#N)cc2)nc1 733236330 KWBRIQMIHOQJMN-UHFFFAOYSA-N 295.342 3.671 30 20 CHED CC(C)C[C@H](C/N=C/c1c(O)ccc2ccccc12)C(=O)O 736403808 KOKVTRMWCYPYOB-HIPSJFSSSA-N 299.370 3.711 30 20 CHED C=CC[C@H]1CCCN(CCc2noc3ccccc23)C1 661387270 XSEHAUAYRWVCBD-AWEZNQCLSA-N 270.376 3.658 30 20 CHED COc1ccc(OCCCCC2(C#N)CCC2)cc1OC 902717567 GOFAPIADLXOSSL-UHFFFAOYSA-N 289.375 3.947 30 20 CHED N#C[C@]1(C(=O)OC/C=C\c2ccccc2)CC12CCCC2 837908225 SPWQRPWKQHXJIX-KKMIYCERSA-N 281.355 3.717 30 20 CHED CCCC[C@](C)(F)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 834678024 CQMSBQSCYQLQEP-WBVHZDCISA-N 288.366 3.580 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)C#CC(C)(C)C)C1 837439536 HRWFQYVJKDGTLA-XJKSGUPXSA-N 287.378 3.785 30 20 CHED Cc1cc[nH]c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 901264621 JARUKNDUPSLOPD-VIFPVBQESA-N 299.399 3.633 30 20 CHED COC(=O)c1ccc(NN=C(C)C2CCCC2)c(F)c1 835024038 VVDSQMCMVRIHMV-UHFFFAOYSA-N 278.327 3.590 30 20 CHED CC1(C)CN(c2ccc(F)cc2C#N)Cc2ccccc2O1 580354839 WDISJBQQYFGAJM-UHFFFAOYSA-N 296.345 3.875 30 20 CHED C=CCOc1ccc(CNc2ccc([N+](=O)[O-])s2)cc1 588062434 AAQMSOHUTQNLFW-UHFFFAOYSA-N 290.344 3.833 30 20 CHED C=C(CNC(=O)c1cc(Cl)ccc1F)c1ccccc1 672482389 IQCFFUPPDVWJDE-UHFFFAOYSA-N 289.737 3.922 30 20 CHED Cc1cccc(C2(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)CC2)c1 839047020 BVTHHMKVGIJSFW-GDBMZVCRSA-N 283.371 3.652 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cc3n(n2)CCC3)cc1 901560971 LBYCSDCNGGDICQ-YFHOEESVSA-N 296.370 3.514 30 20 CHED Cc1ccccc1C[C@@H](NCC1(C#N)CCC1)C1CC1 903035570 RKQXCWKOVMVLHT-QGZVFWFLSA-N 268.404 3.600 30 20 CHED C[C@H](CNC(=O)c1ccccc1SCC#N)C(C)(C)C 734443574 UAONSHDWGYBQNS-GFCCVEGCSA-N 290.432 3.714 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)C(C)C 914682816 JHDUWHFXZFOAIM-LBPRGKRZSA-N 281.783 3.530 30 20 CHED C=CCONC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 838706831 CXRBOKMJBUNYJW-AWEZNQCLSA-N 294.782 3.598 30 20 CHED CCCOc1cccc(C=NNCc2ccccc2)c1 917540180 ITNIPGRDLQKSBU-UHFFFAOYSA-N 268.360 3.599 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N[C@@H](C#N)CC(C)C 592613906 BZBYYEHROCBVSC-HUUCEWRRSA-N 264.413 3.813 30 20 CHED C=CCC1(C(=O)O[C@H]2CCc3cccnc32)CCCC1 835342700 SGMXHXREGIRYHR-AWEZNQCLSA-N 271.360 3.749 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N[C@H](C)[C@H]1CCOC1 743544641 XWIRNCKMWUDWPD-XHSDSOJGSA-N 298.471 3.707 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 596725629 KCCUBJOPMOUYEJ-GFCCVEGCSA-N 287.338 3.517 30 20 CHED CC(C)(C#N)CCCN1Cc2cc(F)c(F)cc2C1 594032336 ZCBJFQICFCVGTG-UHFFFAOYSA-N 264.319 3.610 30 20 CHED C=C(CNCc1cccc(F)c1F)c1ccccc1 594051628 LLQJBPNCHOABAL-UHFFFAOYSA-N 259.299 3.768 30 20 CHED COc1cccc2cc(C(C)=NNc3ccccn3)oc12 916273771 SNUHEQLHNBDVJZ-UHFFFAOYSA-N 281.315 3.673 30 20 CHED C=CCC[C@H](N[C@H]1CCOc2cc(OC)ccc21)C1CC1 676639520 LXXFYWIXNSGUPK-IRXDYDNUSA-N 287.403 3.853 30 20 CHED CCO[C@H](CC)c1noc(C[C@H](CC#N)c2ccccc2)n1 596619736 AAGVGTITUQOAMK-LSDHHAIUSA-N 299.374 3.797 30 20 CHED N#CCc1ccc(Cn2ncc(Cl)c2C2CC2)cc1 596310560 AFTGDXFZSJHNTR-UHFFFAOYSA-N 271.751 3.528 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc(CCC(F)(F)F)cc1 594086634 YUQPBLKGIDDHGH-ZDUSSCGKSA-N 298.308 3.556 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NOCC(C)C 749636384 GWZOJQLAJQQHBE-UHFFFAOYSA-N 264.325 3.576 30 20 CHED C[C@](C#N)(NC(=O)C1CCC2(CC1)CC2)C1CCCCC1 597248726 DDOHSZMZVVKYGV-QGZVFWFLSA-N 288.435 3.936 30 20 CHED C=C(C)COC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 748912205 SNDPSPUWWKZGSD-OLZOCXBDSA-N 295.176 3.672 30 20 CHED N#CC[C@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 597908847 CNOTZRNLFKJRDW-MDGVGCGJSA-N 282.387 3.632 30 20 CHED C[C@H](C#N)N(C(=O)c1cc2c(s1)CCCCC2)C1CC1 598126745 INVUPGQIRJYIKN-LLVKDONJSA-N 288.416 3.534 30 20 CHED N#C[C@H]1CC[C@H](N2CCC3(CCc4ccccc4O3)CC2)C1 595829564 WCKVJEQPJGJQMV-RDJZCZTQSA-N 296.414 3.538 30 20 CHED C=C[C@H](C)ONC(=O)c1cc(Cl)cc(C(F)(F)F)c1 846550795 UIFKEFMESUDMMI-ZETCQYMHSA-N 293.672 3.595 30 20 CHED C=CCCOC(=O)c1ccc(-c2ccccc2)nc1C 740203697 JIVYRJSAZMSJLL-UHFFFAOYSA-N 267.328 3.790 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1cccc2sccc12 847117096 DCRPXKYHFUGNMN-AWEZNQCLSA-N 259.330 3.747 30 20 CHED C=CCCSCCNC(=O)C[C@H](C)c1ccc(F)cc1 597971184 IGFBPPRCKGNWCL-ZDUSSCGKSA-N 295.423 3.745 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H]2C[C@H]2CC(C)(C)C)cc1 846025816 MHUINUKPRQEHQV-JLJPHGGASA-N 286.419 3.892 30 20 CHED N#CCCC1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 592819574 STHIUSHIOIDCGO-IRXDYDNUSA-N 288.435 3.745 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(C#N)cc2F)C1 745159635 XPQKHNYMMKCIRR-DGCLKSJQSA-N 275.323 3.567 30 20 CHED C=CCCCCSCc1nnc(C(C)(C)C)o1 842187604 BLLODBFUMUJQMQ-UHFFFAOYSA-N 254.399 3.957 30 20 CHED C=CCOc1ccc(C(=O)N(CC)C(CC)CC)cc1 685259246 PYFNYKOSEKRZNT-UHFFFAOYSA-N 275.392 3.902 30 20 CHED N#CCCCC(=O)N[C@H](C1CCCCC1)C1CCC1 592696531 CXAXHJSUQOZXFV-MRXNPFEDSA-N 262.397 3.545 30 20 CHED COCCCC(C)=NNc1ccc(Br)cc1 759193284 JNNOZAFCMUJXRC-UHFFFAOYSA-N 285.185 3.664 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1ccc[nH]1 754712796 UBYNJXSGZOINCC-UHFFFAOYSA-N 268.238 3.837 30 20 CHED C=CCOc1ccccc1CNc1ncc(Cl)s1 680894305 UMTQOZDJMWRKIA-UHFFFAOYSA-N 280.780 3.973 30 20 CHED C=CCCCCNC(=O)[C@@H]1CCc2c(Cl)cccc21 681145536 BBRCXXCJCQNJSL-CQSZACIVSA-N 277.795 3.842 30 20 CHED COc1ccc(C(=O)/C=C\c2nc(Cl)cs2)cc1F 759076958 UPAKKWDWWLCRCT-HYXAFXHYSA-N 297.738 3.840 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1ncco1 926592121 RSCKSNWSGWYYTL-UKRRQHHQSA-N 256.349 3.513 30 20 CHED C#C[C@@H](CC)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 754373807 FWZIYCMXCSKNOV-UONOGXRCSA-N 297.320 3.727 30 20 CHED N#Cc1ccc(O)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 756788353 KTODZFWFPDNYBH-RRFJBIMHSA-N 298.386 3.809 30 20 CHED C=CCSCCNC(=O)/C(C)=C\c1ccccc1Cl 755729363 ACLIWCGUEXKPKP-QXMHVHEDSA-N 295.835 3.779 30 20 CHED C=CCCCOC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 756756035 PCIVQYCFIYOIJQ-LBPRGKRZSA-N 289.158 3.536 30 20 CHED C=CCN(C(=O)/C=C/c1ccccc1F)C(C)(C)C 857650988 NFNAPZAHUWXEQA-ZHACJKMWSA-N 261.340 3.652 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc(N2CCCCC2=O)c1 925759342 WFDNWVUDEVXULO-AWEZNQCLSA-N 299.418 3.944 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc2ncccc12 926031517 KPNJMFHIYTVGOO-LBPRGKRZSA-N 253.349 3.975 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H]1CCC1CCCC1 753259025 NPUIHGPATBSRMH-CVEARBPZSA-N 276.424 3.543 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 855546957 QYJPXCHCXBYRPH-AEFFLSMTSA-N 287.403 3.987 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 925415843 UYUZLDGWRMZRDP-GDBMZVCRSA-N 299.418 3.786 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cncc2ccccc12 851207726 GRDWBDFPOSXWBW-LBPRGKRZSA-N 282.343 3.720 30 20 CHED COc1cc(F)cc(NN=C(C)c2nc(C)sc2C)c1 759207421 XAJMOMLTEYKETF-UHFFFAOYSA-N 293.367 3.744 30 20 CHED C[C@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccco1 859812441 PAHFHNDKDWHBIH-CHWSQXEVSA-N 283.327 3.949 30 20 CHED CC(C)(C#N)CCCOc1cnc(Cl)c(F)c1 850000948 NBWLKHHKQYRVRP-UHFFFAOYSA-N 256.708 3.583 30 20 CHED C/C(=C\C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1Cl 928225038 WLJNEHFDSBBDBL-SRXBQZRASA-N 288.778 3.505 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1ccc(F)c(F)c1 929862146 FZBDQDKXCNCDPH-NSHDSACASA-N 267.319 3.526 30 20 CHED CC(C)CCCCCCNC(=O)N1CCC[C@H](CC#N)C1 853221787 XVAXHPUIZLWZIY-MRXNPFEDSA-N 293.455 3.928 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccc(F)cc1O 757476996 WMMPAWPMDGHZKX-DAXSKMNVSA-N 278.229 3.706 30 20 CHED CO[C@@H](C=NNc1nc(-c2ccccc2)cs1)C1CC1 853281180 WOVBNZIRQPHANW-AWEZNQCLSA-N 287.388 3.633 30 20 CHED C#CCCCCNC(=O)/C(C)=C\c1ccccc1Cl 755966426 HDWKRZGSASYOEP-SEYXRHQNSA-N 275.779 3.663 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCC1CCCC1 851214721 VNQBVCVDIYQFLB-LBPRGKRZSA-N 251.370 3.828 30 20 CHED C#CC[C@@H](NCc1cc(F)cc(F)c1)c1ccccc1 756997622 ZKTKFKVCLUBGSN-QGZVFWFLSA-N 271.310 3.819 30 20 CHED C=CCN(Cc1nnc(-c2cccc(F)c2)o1)C(C)(C)C 852554226 HRYAECYCIJDECI-UHFFFAOYSA-N 289.354 3.662 30 20 CHED CCCCCCCCc1nc(-c2cnc(C)cn2)no1 854111023 VBCAQMUYRIMRBD-UHFFFAOYSA-N 274.368 3.738 30 20 CHED CC(C)c1cccc(NC(=O)c2ccc(C#N)c(Cl)n2)c1 752997429 CSUGESIECDVULS-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cccc(OC(F)F)c1 755817309 YWFSAOPSGHGTAG-CYBMUJFWSA-N 285.290 3.555 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(OC)c2ccccc2c1 933775977 WMVXQTJJCMTMAD-CYBMUJFWSA-N 297.358 3.662 30 20 CHED CCC(C#N)(CC)C(=O)OCc1csc(C(C)(C)C)n1 860197663 YJEBMLYXWYDPAH-UHFFFAOYSA-N 294.420 3.814 30 20 CHED C[C@H](O)C[C@@H]1CCCCCN1CCCCC1(C#N)CCC1 930455919 RTLZNGSUTMWAHY-IRXDYDNUSA-N 292.467 3.866 30 20 CHED COc1cc(F)ccc1NN=Cc1cc(C)sc1C 761885260 PKZZIQVXXVKMEO-UHFFFAOYSA-N 278.352 3.959 30 20 CHED COCc1csc(/C=C2/CCc3ncccc3C2=O)c1 865226672 GOXGZNAETIVLAK-WQLSENKSSA-N 285.368 3.502 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc(F)c(F)c1 57435317 GHRPAHAIPPMCCP-VQHVLOKHSA-N 274.266 3.870 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(-c2ccon2)c1 933785973 LHDUWKMKFUBAAK-UHFFFAOYSA-N 285.347 3.675 30 20 CHED COc1cc(NC(=O)N(C)[C@H](C)CC#N)cc2ccccc12 933773661 PGDABGLKDOTIFV-GFCCVEGCSA-N 297.358 3.614 30 20 CHED CC1(C)CCC(CC(=O)OCC2(C#N)CCC2)CC1 768078983 VVCHYQIYFYHKKP-UHFFFAOYSA-N 263.381 3.830 30 20 CHED Cc1ccc([C@H](C)C=NNc2cc(C)nc(C)n2)cc1 863080356 YKTCQSSEWFUARS-GFCCVEGCSA-N 268.364 3.603 30 20 CHED CCCCCCC[S@@](=O)c1ccc2c(c1)OCCCO2 764549314 XDBAEGZGDGLFHT-HXUWFJFHSA-N 296.432 3.926 30 20 CHED COC(=O)c1coc(C(C)=NNc2cc(C)cc(C)c2)c1 766432902 LZONQLSHGZIFKG-UHFFFAOYSA-N 286.331 3.519 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2ccc(F)c(Cl)c2)C1 860825167 CHSPEOUEYLXASO-RYUDHWBXSA-N 295.741 3.647 30 20 CHED N#CC1(COC(=O)[C@H]2CCc3c(Cl)cccc32)CCC1 768103226 IXHRVNKAFKHWGR-ZDUSSCGKSA-N 289.762 3.607 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2c(F)cccc2Cl)cc1 769831360 ZUWGGWCBQFRIIU-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C#CCCc1noc(C[C@@H](c2ccccc2)C(C)C)n1 762006899 LLEROUKVYHWGHH-OAHLLOKOSA-N 268.360 3.618 30 20 CHED CC#CCCCC(=O)OC[C@@H](C)c1ccc(OC)cc1 768010009 GRQWBXLKSLRLCM-CQSZACIVSA-N 274.360 3.536 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1cccc(F)c1F 879352232 ZNBDDIPZYQJEPJ-SNVBAGLBSA-N 267.319 3.744 30 20 CHED CO[C@@H](c1ccccc1)[C@H](C)Nc1cccc(OCC#N)c1 877169041 DQAGCUYHCLNEPV-KBXCAEBGSA-N 296.370 3.777 30 20 CHED C=CCCCC(=O)O[C@H]1COc2cc(Cl)ccc21 774523911 BFAWGUFSZTWMFU-ZDUSSCGKSA-N 266.724 3.673 30 20 CHED N#C[C@@H](OC(=O)c1cccc(Cl)c1O)C1CCCCC1 776398953 FUVPHCBHSFHRSJ-CYBMUJFWSA-N 293.750 3.675 30 20 CHED N#CC1(COC(=O)C2(Cc3ccc(Cl)cc3)CC2)CC1 775880559 IABLWUVJBBTTGG-UHFFFAOYSA-N 289.762 3.510 30 20 CHED C[C@]1(C(=O)Nc2cc(C#N)c(F)cc2F)CC=CCC1 876348206 KVXYXGPCVRVEIC-HNNXBMFYSA-N 276.286 3.521 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)CCc1ccccc1 779714287 XQWPCZZCLSFIAN-INIZCTEOSA-N 271.404 3.708 30 20 CHED CC(C)Oc1ccc(NC(=O)C[C@H](C)C2CC2)cc1C#N 772147030 ATSXYOIXRAVISZ-LBPRGKRZSA-N 286.375 3.720 30 20 CHED C#CCCCCCC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 779914149 NTYDIKITRVBXOP-WBVHZDCISA-N 293.451 3.528 30 20 CHED Cc1cc(C=NOC2CCCC2)c(C)n1C[C@H]1CCCO1 774607101 CNKWBNFNZPFFAO-QGZVFWFLSA-N 290.407 3.577 30 20 CHED C[C@H](C#N)COC(=O)c1ccc(-c2ccccc2)cc1 770937357 OGYPWKAJZBIGAB-CYBMUJFWSA-N 265.312 3.670 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1conc1C 875953175 LYTIADOPHCRCFX-UHFFFAOYSA-N 295.427 3.875 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2cc(C#N)cs2)[C@@H]1C 779270936 SIPWWHSZVYMCQE-FOGDFJRCSA-N 263.362 3.601 30 20 CHED C=C1CCC(C(=O)NCCc2ccc(F)c(F)c2F)CC1 889916767 LWYBZXLMHLSNKL-UHFFFAOYSA-N 297.320 3.509 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccnc(Cl)c1 779460360 OVZGJHHVEKNMDZ-PLNGDYQASA-N 288.690 3.539 30 20 CHED C#CCN(C(=O)N[C@@H](C)CCCC=C)C1CCCCC1 776084449 OTZVSGGZVYMRGN-HNNXBMFYSA-N 276.424 3.709 30 20 CHED Cc1cccc(/C=C2/CC(=O)Nc3ccccc3C2=O)c1 774140092 DSDKITJJKATHDG-UVTDQMKNSA-N 277.323 3.604 30 20 CHED C=CC(C)(C)CC(=O)OCc1cncc(C(F)(F)F)c1 884648552 AUZUFZOSRRTILM-UHFFFAOYSA-N 287.281 3.746 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)C1(C#N)CCCC1 1129734013 NEBBIOSLNJASMQ-LSDHHAIUSA-N 276.424 3.793 30 20 CHED C=C[C@H](C(=O)N[C@@H](C)c1ncc(C)s1)c1ccccc1 1123657373 RASAUGNUHNOPOI-JSGCOSHPSA-N 286.400 3.599 30 20 CHED CCC(=NNc1nc2ccccc2[nH]1)c1ccccc1F 778539194 XQABHQPXZKZQGN-UHFFFAOYSA-N 282.322 3.928 30 20 CHED CCCC(=CC(=O)Nc1cc(C)nn1CCC#N)CCC 770695482 XMTHQEMVAVCTPX-UHFFFAOYSA-N 288.395 3.570 30 20 CHED C#CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 775397777 BFOLVGSRJADBBW-QGZVFWFLSA-N 294.354 3.757 30 20 CHED CC(C)(C)CCNN=Cc1cn(CCC#N)c2ccccc12 782902572 DWUQPNJAXVNXLT-UHFFFAOYSA-N 296.418 3.915 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCCC(C)(C)C)c1 783638527 UECMGJYYAHCBLV-HNNXBMFYSA-N 274.408 3.893 30 20 CHED Fc1cccc(C2CC(=NNc3ccnc(F)c3)C2)c1 781595246 OGYUMYXGLVOCKJ-UHFFFAOYSA-N 273.286 3.705 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C/SCc1ccco1 784138686 KORUASXHXXPGLF-UXBLZVDNSA-N 293.388 3.900 30 20 CHED N#CCCN(Cc1ccccn1)C[C@@H]1CCc2ccccc21 780293553 KBOPRJBGVMPEAO-KRWDZBQOSA-N 291.398 3.527 30 20 CHED Cc1cc2c(cc1C)C(=NOC[C@@H]1CCOC1)CCS2 788037266 SIWXHJZDNMXUQQ-CYBMUJFWSA-N 291.416 3.556 30 20 CHED C#CCC1(C(=O)OCc2sc(C)nc2C)CCCCC1 788216134 LPKGNDFSDKTTET-UHFFFAOYSA-N 291.416 3.777 30 20 CHED CC(=NOCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 783857237 XTJOLFHNVQNYJR-ZDUSSCGKSA-N 287.281 3.777 30 20 CHED CC(C)(C#N)CC(=O)NCCc1ccc(Cl)c(Cl)c1 894469280 DAEGZMXLJURAKO-UHFFFAOYSA-N 299.201 3.592 30 20 CHED COc1ccc(O)c(/C=N/CC(F)(F)c2ccccc2)c1 788674992 RKLIIRKHFCHVHS-VXLYETTFSA-N 291.297 3.612 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2ccncc2)cc1OC 83202101 XRZYCUKGNPTGQH-GQCTYLIASA-N 297.354 3.775 30 20 CHED C#CCCCCCC(=O)O[C@H](CC)C(=O)c1ccccc1 780256704 KTUQLFVIJPFXFR-MRXNPFEDSA-N 286.371 3.775 30 20 CHED C=C1CCC(C(=O)OCCC[C@@H]2CCCCC2=O)CC1 893067691 ITPGOMUQMOZNMO-AWEZNQCLSA-N 278.392 3.816 30 20 CHED Clc1cncnc1NN=Cc1ccc(-c2ccccc2)o1 780280400 XFMNXGVNYJCRSP-UHFFFAOYSA-N 298.733 3.836 30 20 CHED C=CCCCCNC(=O)c1sccc1Br 274429696 AUONHOAUPLABTK-UHFFFAOYSA-N 288.210 3.597 30 20 CHED O=C1C(=C/C=C/c2ccc(F)c(F)c2)C(=O)c2ccccc21 794690826 KSUKXGHCHZEXBI-ONEGZZNKSA-N 296.272 3.984 30 20 CHED C=CCN(CCOC)Cc1c(Cl)cccc1Cl 553996580 BKEJUVTYDYZEKH-UHFFFAOYSA-N 274.191 3.628 30 20 CHED C=CCNN=Cc1ccc(-c2ccc(F)cc2)s1 794998936 QDUPXENSQJJGQA-UHFFFAOYSA-N 260.337 3.664 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1ccnc(O)c1 790294791 WYKAMGICIMJVBD-UHFFFAOYSA-N 296.157 3.930 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1ccsc1 790324292 FRYMHSVMTMOCCI-SNVBAGLBSA-N 254.424 3.779 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)Cc1cnccn1 793524713 HKYGMTFCCOZDMF-LSDHHAIUSA-N 261.413 3.522 30 20 CHED Cc1cccc([C@H](C)NC(=O)Nc2cccc(C#N)c2)c1 1202790816 RMKFIXCUGOSLEV-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED CC(C)CCC[C@H](C)NC(=O)Nc1sccc1C#N 1207286577 MIIGYEWCWMHQBW-NSHDSACASA-N 279.409 3.956 30 20 CHED CC(=NNc1cccc(Cl)n1)c1c(F)cccc1F 793174106 JIJWFVRGSKBJQG-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1ccc(CC#N)cc1 1147695631 GFMOROVCTNYSQY-UHFFFAOYSA-N 293.370 3.825 30 20 CHED COc1ccc(O)c(/C=N/Cc2ccc3[nH]c(C)cc3c2)c1 794690442 WJAROMSIUCCZNP-YBFXNURJSA-N 294.354 3.810 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)/C=C\c2ccccc2C#N)C1 799656071 DKZQDALOVFMCOJ-HDVYCRDBSA-N 269.344 3.693 30 20 CHED COc1cccc(/C=C2/Cc3ccc(C)cc3C2=O)c1F 799893499 RIMWBTMQJYACLF-UVTDQMKNSA-N 282.314 3.965 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 791058046 ALYBHDXYTZRTCS-SJLPKXTDSA-N 298.430 3.952 30 20 CHED COc1ccccc1CON=C1CCCc2c(O)cccc21 799118294 YJRRXEALVFOGMR-UHFFFAOYSA-N 297.354 3.658 30 20 CHED CC/C=C(/C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799446742 ZLDVLRBWXWZSIT-WTKPLQERSA-N 298.264 3.752 30 20 CHED C#CCCCCCC(=O)Nc1cnn([C@@H](C)CC)c1C 791570480 XVERETZKQCFLDX-ZDUSSCGKSA-N 275.396 3.685 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)c(F)cc2F)cc1C#N 799333422 SJBAJYKMRYJIDP-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@@H]1CC(Nc2cccc(OCC#N)c2)C[C@@H](C)C1 84465522 RHLRYNCKVPPTCX-STQMWFEESA-N 258.365 3.826 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 1219113042 FCOSMNLPCACQTG-OWCLPIDISA-N 297.402 3.957 30 20 CHED N#Cc1csc(CNc2ccc(N3CCCC3)cc2)c1 93686725 INTLVVHLCZNHQT-UHFFFAOYSA-N 283.400 3.832 30 20 CHED C=C(C)CNC(=S)N[C@H](c1cccc(F)c1)C(C)(C)C 1319011771 HUIMGBATYQZHMA-CQSZACIVSA-N 294.439 3.953 30 20 CHED CC(C)c1nc(C=NNc2ccc(F)cc2F)cs1 1317926780 DKFJBUDLHAVJMW-UHFFFAOYSA-N 281.331 3.991 30 20 CHED C[C@H]1C[C@@H](NCCc2ccc(C#N)cc2)CC[C@H]1C 1172359789 NVSNVJQWXXXZEQ-KEYYUXOJSA-N 256.393 3.515 30 20 CHED Cc1ncc(/C=C\c2nnc(-c3ccc(C#N)cc3)o2)s1 1326235568 SHARHYRSTNQNFT-SREVYHEPSA-N 294.339 3.544 30 20 CHED CC(C)(C)c1ccc(Cc2noc(C(C)(C)C#N)n2)cc1 1320308524 VZVFJTVVHPKAKK-UHFFFAOYSA-N 283.375 3.759 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)c1csc(C#N)c1 1324459380 TXSFTDAQBBNEMF-MRXNPFEDSA-N 296.395 3.769 30 20 CHED COc1ccc(C[C@H](C)N(C)Cc2cccc(C#N)c2)cc1 1320975425 JZMOXVPXYGPVSE-HNNXBMFYSA-N 294.398 3.630 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(O)cc1OC 1252256993 ZLHUBZKKNCLOCK-CYBMUJFWSA-N 278.396 3.683 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc2cc(Cl)ccc2o1 1255018534 HJRONZQTXFCVAU-ZWNOBZJWSA-N 279.767 3.938 30 20 CHED CCCOc1ccc(CN2CCC[C@](C)(C#N)C2)cc1C 1180306123 SILYYSNWNAZWQY-GOSISDBHSA-N 286.419 3.910 30 20 CHED C=C(Cl)CN[C@@H](C)c1nc(C(C)(C)C)cs1 1332783233 RENGIANTTRFESJ-VIFPVBQESA-N 258.818 3.844 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1cc(C#N)cs1)C2=O 1252547451 LTUKNRLTVKLOHF-AWNIVKPZSA-N 295.363 3.895 30 20 CHED N#Cc1ccsc1NC(=O)N(CC1CCC1)CC1CC1 1333223907 JXOVZALJYOVVGE-UHFFFAOYSA-N 289.404 3.664 30 20 CHED Cc1ccccc1-c1nnc(-c2ccccc2OCC#N)o1 1341502868 BKCGIFRPAUHGMT-UHFFFAOYSA-N 291.310 3.614 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(OCC3CC3)cc2)cs1 1261254468 ODDYPDOZNMPXGK-UHFFFAOYSA-N 298.367 3.661 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@H](C(C)C)CC1 1340689025 ZRRQAWYBQIPBMX-LBPRGKRZSA-N 298.381 3.664 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)cc2)C[C@H]1C 1264212416 FYBFYCDMCSEEOT-YRGRVCCFSA-N 256.349 3.569 30 20 CHED C[C@H]1CC[C@@H](c2nnc(-c3cccc(C#N)c3)o2)C1 1261570327 MPSVVUQXSVYVRR-GXFFZTMASA-N 253.305 3.512 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 1262612590 HVPYRWRCVXJCSV-RDJZCZTQSA-N 271.404 3.822 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(F)c(OC)c1 1344684167 HLJZEQOLNQDGKC-CYBMUJFWSA-N 292.354 3.797 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cc(C)cc(C#N)c1 1275796849 KAUBKAFKKCVTJJ-GFCCVEGCSA-N 258.365 3.878 30 20 CHED C=CCn1c([C@@H]2CC=CCC2)nnc1N1CC[C@H](C2CC2)C1 1352041084 NQULXTQEVCAHFD-CVEARBPZSA-N 298.434 3.524 30 20 CHED C=CCCCCCCCN[C@H](C)[C@@H]1CCCOC1 810242668 GPMBUORSADTMFL-HZPDHXFCSA-N 253.430 3.918 30 20 CHED Cc1ccnc(N(C)[C@H](C)Cc2ccc(Cl)cc2)c1C#N 1458178540 MZVTXAUSZILGBM-CYBMUJFWSA-N 299.805 3.983 30 20 CHED CC1(C)CCC(C(=O)Nc2cc(C#N)ccc2F)CC1 1535454961 BBTUOLHIGYHKDI-UHFFFAOYSA-N 274.339 3.852 30 20 CHED N#Cc1cc(NC2CCC(CC(=O)O)CC2)ccc1C1CC1 1601090627 KMIFIEIJMCOYNI-UHFFFAOYSA-N 298.386 3.881 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)cc1F)C(C)(C)C 1533358570 QIONGMMMSYIZQH-AWEZNQCLSA-N 276.355 3.642 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(CC(C)C)C(C)C 1539798423 GRDOPDIWBMPJRR-UHFFFAOYSA-N 296.846 3.779 30 20 CHED C[C@H]1CCC[C@@H](Cn2cc(C#N)c3ccccc3c2=O)C1 1614734258 GVMXWHCWZFPCSZ-UONOGXRCSA-N 280.371 3.699 30 20 CHED CCOc1nc(Sc2ccc(C#N)cc2)ncc1Cl 1559077414 QOQMPHYIAHOZSH-UHFFFAOYSA-N 291.763 3.552 30 20 CHED N#Cc1nc(N[C@H]2C[C@H]2Cc2ccccc2)sc1Cl 1639493669 VPLOOFHNNDVRIO-MNOVXSKESA-N 289.791 3.711 30 20 CHED CC(C)C1CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC1 1565738935 OLRXMKOZAWHDDV-KRWDZBQOSA-N 284.403 3.578 30 20 CHED Cc1cc(SCc2ccc3c(c2)OCCO3)ccc1C#N 1641222479 FIKUTWIYTBSOQD-UHFFFAOYSA-N 297.379 3.930 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)C1(C#N)CC(C)C1 1570339696 PFTPEFRXLZYPEV-KRIMKBQASA-N 276.424 3.649 30 20 CHED N#Cc1ccc(CNCc2ccc3cc[nH]c3c2)cc1Cl 1657240859 WPRQNAJMYBDJOX-UHFFFAOYSA-N 295.773 3.983 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 1583671314 NKEJPSVMHUXYSV-DZGCQCFKSA-N 288.366 3.642 30 20 CHED N#Cc1csc(CNc2cccc(-c3ccon3)c2)c1 1657031663 SZIYMMUEXQLUCK-UHFFFAOYSA-N 281.340 3.887 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 1660402554 LHNBOFFTIKCZTG-HWDJUHOGSA-N 280.415 3.987 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1cc(C)cc(F)c1 1776037934 KJCIUMGVECOKHG-UHFFFAOYSA-N 286.306 3.668 30 20 CHED Cc1ccc(C=NN[C@H](C)C2CCCCC2)cc1C(=O)O 1776040372 MGYFSZJOJYBNQD-CYBMUJFWSA-N 288.391 3.586 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)cc1Cl 160429875 LQKSSUQVUBGJKD-HIFRSBDPSA-N 276.767 3.581 30 20 CHED C=C[C@H](CC(=O)Nc1cccc(F)n1)c1ccccc1 160873504 MQJQGQDASUGKIL-GFCCVEGCSA-N 270.307 3.519 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1SC(C)C 157597496 DKBYEGAEKPEXHG-UHFFFAOYSA-N 264.394 3.885 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)CCOC)cc1 152771232 BFSVRISNNQIBBY-ZIAGYGMSSA-N 297.826 3.894 30 20 CHED CCCCS[C@H](C)C(=O)Oc1ccc(C#N)cc1F 157918772 QGXHAXUZQMMCLW-SNVBAGLBSA-N 281.352 3.525 30 20 CHED CN(Cc1ccccc1C#N)[C@@H]1CCc2ccccc21 29484069 MFFRRBYUUSIFOK-GOSISDBHSA-N 262.356 3.678 30 20 CHED Cc1nc(NC23CCC(CC2)C3)c(Cl)cc1C#N 812464763 JHRNLQUXZDUXBK-UHFFFAOYSA-N 261.756 3.660 30 20 CHED Cc1cccc([C@@H](C)NCc2cc(C#N)ccc2F)c1 157307675 CTMFYKKVASUAAV-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1c(F)cccc1F 37748619 POKHOZIRKAZGRV-NSHDSACASA-N 272.298 3.687 30 20 CHED CC(=O)c1ccccc1OCc1ccc(C#N)cc1C 165695482 AIIZDEMFZGSQMJ-UHFFFAOYSA-N 265.312 3.648 30 20 CHED C=CC[C@@H](C)N[C@@H](c1ccccc1)c1ccccn1 166146521 CTIJKBUCCSEUID-PBHICJAKSA-N 252.361 3.725 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC2(CCC2)C1 301638067 MBDOSXXZZFOBQM-UHFFFAOYSA-N 280.293 3.957 30 20 CHED C=CCNc1nc(-c2ccc(OC)cc2)c(CC)s1 303154205 DBKMGJDBIHXQCY-UHFFFAOYSA-N 274.389 3.979 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCC[C@@H]1C 69615543 KTZSXWAIQABFBM-SMDDNHRTSA-N 271.364 3.567 30 20 CHED C[C@@H]1Cc2ccccc2N1Cc1ccc(C#N)c(F)c1 403985360 HBWWKGNRILJJEA-GFCCVEGCSA-N 266.319 3.649 30 20 CHED C=CCC(C)(C)CN[C@H](C)CCc1ccc(O)cc1 311726834 QIRHQLIRXOHKNY-CQSZACIVSA-N 261.409 3.905 30 20 CHED C[C@H](Cc1ccsc1)N(C)Cc1cc(C#N)ccc1F 81599647 DOFWBSTZQGXCSB-GFCCVEGCSA-N 288.391 3.822 30 20 CHED C=CCCNC(=O)N(Cc1ccccc1)[C@@H](C)CC 665945816 NXLTYXGHHDPOKL-AWEZNQCLSA-N 260.381 3.573 30 20 CHED N#CCc1ccc(CNc2cccc(F)c2F)cc1 342428512 NZRCREJNDKYSCD-UHFFFAOYSA-N 258.271 3.643 30 20 CHED CC1(C)[C@@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]21 380388391 WVIZZPYUDRGWLC-CHWSQXEVSA-N 280.293 3.669 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(OC)c(F)c1 393809213 RHCUEJMLUUFMBN-DGCLKSJQSA-N 251.345 3.840 30 20 CHED CCC(=NOCc1ccccc1)c1cccc(N)c1 814791192 DKKYGDPMZDUBLS-UHFFFAOYSA-N 254.333 3.600 30 20 CHED N#CC[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 397637730 XMDZOJVGMSPDLL-GFCCVEGCSA-N 282.309 3.831 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)c1csnn1 398223498 DENNAMZQUQALOT-NEPJUHHUSA-N 255.431 3.938 30 20 CHED CC1CCC(CNC(=O)N(C)Cc2cccc(C#N)c2)CC1 56818930 BPOGXFHMDJRKLZ-UHFFFAOYSA-N 299.418 3.526 30 20 CHED N#CCc1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1 176885514 FRKPHXABOADQJH-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C=CCN(C(=O)CCc1ccc(OC)cc1)c1ccccc1 58642123 ZNMDSHQXKYHXCB-UHFFFAOYSA-N 295.382 3.847 30 20 CHED CCCOc1ccccc1NCc1cc(C#N)ccc1OC 178786218 UTCWMOIBJMKOME-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](CCC(=O)O)C1 105714541 WOAOSVFWRVSOQQ-OAHLLOKOSA-N 297.439 3.840 30 20 CHED N#Cc1csc(CNc2ccc(-c3csnn3)cc2)c1 119691976 WGLSLEPJBGDMJR-UHFFFAOYSA-N 298.396 3.750 30 20 CHED C=CCC[C@H](NCc1cccc(CN(C)C)c1)C1CC1 119995071 CSMUHZSNIZGUDV-SFHVURJKSA-N 272.436 3.583 30 20 CHED Cc1ccc(OC(F)F)c([C@H](C)NCCCCC#N)c1 178642787 XRCULPHDCDXFQU-LBPRGKRZSA-N 282.334 3.941 30 20 CHED Cc1c(Cl)cc(NC(=O)NC[C@H](C)C#N)cc1Cl 176410943 MTTPPLFOYKBGGL-SSDOTTSWSA-N 286.162 3.583 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccoc2C)c1 66463504 LZUZHODQFIYQOE-UHFFFAOYSA-N 271.316 3.795 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C 69353222 OOCYIDZDYCCQFY-ZBFHGGJFSA-N 289.419 3.871 30 20 CHED CSc1ccc(CNCc2ccc(OCC#N)cc2)cc1 67251489 YULWTXUMIDSVFP-UHFFFAOYSA-N 298.411 3.601 30 20 CHED C[C@@H](C#N)N[C@@H](Cc1ccccc1)c1cccs1 116908704 QBJOLFLTRDJJHB-JSGCOSHPSA-N 256.374 3.534 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCSC(C)(C)C 67283036 SXJFBNFIFUTNRF-UHFFFAOYSA-N 291.420 3.520 30 20 CHED Cc1cccc(C/N=C(/N)Nc2cc(C)cc(C)c2)c1 303770138 BPUGOLZMPQIXAC-UHFFFAOYSA-N 267.376 3.539 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(COC(C)C)cc1 117003485 LLRWHELZDGWQOS-CYBMUJFWSA-N 276.380 3.698 30 20 CHED CC(C)CN(C(=O)Cc1ccc(C#N)cc1)C1CCCC1 111355029 JDHPZEHROWBQFH-UHFFFAOYSA-N 284.403 3.528 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1CCCO[C@@H]1C(C)(C)C 174408344 MXRXOIZYWQZPLM-GJZGRUSLSA-N 280.456 3.747 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F 111689824 ZKFPJTGVXSQNDO-DAXSKMNVSA-N 289.237 3.769 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)CCC)c1 67318938 CBNLPTAUZSZSQO-UHFFFAOYSA-N 262.353 3.515 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/CCCCCOC)cc1 303990926 ZBFKJVVMYJWCHM-CQSZACIVSA-N 291.439 3.743 30 20 CHED CC(C)(CCC#N)CNCC1(c2ccc(F)cc2)CC1 174276355 SBRREWSJEKYFBB-UHFFFAOYSA-N 274.383 3.777 30 20 CHED C[C@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 301338505 HHJQRQVDPYCUHV-NSHDSACASA-N 285.778 3.996 30 20 CHED C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(Cl)cc1C#N 301882666 ITPJHIQYLUQHPD-IINYFYTJSA-N 290.750 3.729 30 20 CHED Cc1ccccc1NC(=O)CCSc1cccc(C#N)c1 121803619 QAABERWTJWGPMR-UHFFFAOYSA-N 296.395 3.988 30 20 CHED O=C(/C=C\c1cccc(Br)c1)c1cccnc1 33786738 GXBQTTZJGBMRNZ-SREVYHEPSA-N 288.144 3.740 30 20 CHED CCN(CCCCC#N)[C@H](C)c1cccc(OC)c1 120083311 UKJWKXBQSPCZGM-CQSZACIVSA-N 260.381 3.772 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1nn(-c2ccccc2)cc1C 186695401 SMCNVVFQQWWMJU-OAHLLOKOSA-N 297.402 3.655 30 20 CHED CC[C@H](CC#N)NC(=O)C1CCC(c2ccccc2)CC1 183860187 XQJWOOKUHWNYOH-OFLPRAFFSA-N 284.403 3.769 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)CCCC1CCCC1 79487382 OKAAXTHWPUDYBH-UHFFFAOYSA-N 284.403 3.877 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc(C)c2)c1OC 210604941 RLSSUUNWOKLGQR-KHPPLWFESA-N 282.339 3.908 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 72025627 AJUZBWBEWIHWJR-CJNGLKHVSA-N 288.391 3.952 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](C#N)C(C)(C)C 121454411 DGZZNRDNIYTXAF-KOTGUFOOSA-N 290.794 3.798 30 20 CHED CCc1nnc(Nc2ccc(C)c(F)c2)c(C#N)c1CC 124888625 FSULTPCVPDMWQS-UHFFFAOYSA-N 284.338 3.664 30 20 CHED C[C@]1(NC(=O)c2cccc(C#N)c2)CCCc2ccccc21 506106592 OGJWSUJJPOMUAO-IBGZPJMESA-N 290.366 3.540 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 128324249 AZLHZMQDTVEWEC-NEPJUHHUSA-N 293.769 3.783 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cn1ccc2ccccc21 121701633 XGYRSPDWDMVKHP-UHFFFAOYSA-N 297.402 3.620 30 20 CHED Cc1cc2occ(C(=O)N[C@](C)(C#N)C(C)C)c2cc1C 184913139 TXHFTRGVSPFCDS-QGZVFWFLSA-N 284.359 3.718 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1(C)CCCC1 413981403 DRSVQAAGXYIWRL-INIZCTEOSA-N 271.404 3.870 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCCc1ccc(OC)cc1 410139093 JJEMCKZQILRZMS-MRXNPFEDSA-N 289.419 3.879 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(C#N)c2)o1 79634906 HHVBPQLSOISLJA-XHDPSFHLSA-N 295.342 3.596 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 413977937 BCONOUIXRZRZPZ-GRDNDAEWSA-N 281.440 3.546 30 20 CHED N#CCc1cccc(NCc2cnn(-c3ccccc3)c2)c1 313450014 PISKGGBKJQBMQE-UHFFFAOYSA-N 288.354 3.550 30 20 CHED Cc1cc(F)ccc1CSc1cc(C#N)ccn1 181992808 SCNYWZZOXFJAAD-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#CCCN(C(=O)CSc1ccccc1)c1ccccc1 72645011 IUJWJLBSYBRTHX-UHFFFAOYSA-N 296.395 3.726 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ccc(OC)c(O)c1 414537568 PKMAVFUIJGLDNM-KRWDZBQOSA-N 297.398 3.678 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc(C#N)c1C 187617455 XUZBJLREOPMGGF-XHDPSFHLSA-N 271.364 3.519 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(F)cc2C)c1 131084654 WEQCMWVIIARLRC-VQHVLOKHSA-N 297.329 3.989 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccccc1SC 187799524 SJKFMZZKDHLYEH-HNNXBMFYSA-N 279.405 3.576 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1csc(Cl)c1 188938715 XBLWTRQYLRTWBH-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C=C(C)[C@@H](NCc1c(C)noc1C)c1ccc(F)c(F)c1 187764856 HKAIKSGWMBENBE-MRXNPFEDSA-N 292.329 3.977 30 20 CHED CCn1cc([C@@H](C)Nc2ccc(C#N)c(Cl)c2)cn1 44495814 DDCPORXOKYOMQR-SNVBAGLBSA-N 274.755 3.601 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)[C@@H]2CCC(=O)c3ccccc32)o1 328822026 QQJPYNFNTXMKHQ-SMDDNHRTSA-N 298.342 3.761 30 20 CHED C=CCN(CC=C)C(=O)CCCc1ccc(Cl)cc1 44469967 CZXSJEMIEQNYOQ-UHFFFAOYSA-N 277.795 3.863 30 20 CHED C=CCNc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 89104307 FWNMUGPAGKNAAS-CQSZACIVSA-N 272.392 3.608 30 20 CHED C[C@H](CNc1ccc(C#N)c(Br)c1)C1CC1 228195406 FTOYLXABKRLRGG-SECBINFHSA-N 279.181 3.779 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(C(C)(F)F)cc1 410836112 PYOQGOQOUDFGOB-CYBMUJFWSA-N 280.318 3.563 30 20 CHED C#CCCCC(=O)Nc1cccc(Cl)c1OC(C)C 192328322 QNJFSWGZYDFIAW-UHFFFAOYSA-N 279.767 3.869 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cccc2c1CCCN2 423418547 UUQPYIASKFSGPS-KGLIPLIRSA-N 258.409 3.735 30 20 CHED Cc1ccc(Sc2ccc(C#N)cc2)c([N+](=O)[O-])c1 514175634 BJUPCHALCINVAZ-UHFFFAOYSA-N 270.313 3.926 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(O)c1 192618485 IHIRCBGQRMQTGP-UHFFFAOYSA-N 294.354 3.754 30 20 CHED N#Cc1ccc(Br)cc1OCCC1CCC1 229464901 XWBHFELPJGXEOU-UHFFFAOYSA-N 280.165 3.890 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CCc2ccccc2)cc1 49893797 YJXSSHOOLHPZFB-GOSISDBHSA-N 292.382 3.563 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(OC)cs2)s1 80896950 PTFMZISKSNXVGX-UHFFFAOYSA-N 292.385 3.505 30 20 CHED CC(C)(C)CCCC(=O)N1CCc2c(C#N)cccc21 421651299 JYLLGFCLDQWITM-UHFFFAOYSA-N 270.376 3.664 30 20 CHED Cc1cc(C#N)ccc1COc1ccc([C@@H]2CCOC2)cc1 190300232 BSJDSHLJUHFPQA-GOSISDBHSA-N 293.366 3.950 30 20 CHED CN(CCC1CCCCC1)C(=O)NCC(C)(C)CCC#N 513135835 PADJWBRZOWEAMA-UHFFFAOYSA-N 293.455 3.928 30 20 CHED C[C@@H]1C[C@@H](C)CN(c2ccc(C#N)c(Br)c2)C1 228176272 UWMCKCOCYHRERY-GHMZBOCLSA-N 293.208 3.803 30 20 CHED Cc1cc(CNc2cc(C3CCCC3)nn2C)ccc1C#N 331948085 OFEDLWMZINPLRM-UHFFFAOYSA-N 294.402 3.870 30 20 CHED CC[C@@H](C)N(C(=O)c1ccc(C#N)cc1)[C@H](C)CC 192708551 PUHUYRRIMZKNTG-CHWSQXEVSA-N 258.365 3.597 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)C/C(C)=C/c1ccccc1 427224065 QOZDUXKQDRQBLK-MDJJKAFGSA-N 287.403 3.530 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 93704728 OWYORRDPOSIGBV-JKSUJKDBSA-N 286.419 3.990 30 20 CHED C=CCN(CC=C)c1nnc(C(C)C)n1Cc1ccccc1 516900294 JESMUUPAPMGXJR-UHFFFAOYSA-N 296.418 3.628 30 20 CHED CC(C)[C@H](NCc1ccc(C#N)s1)c1ccc(F)cn1 421867075 BSHPVCPBKZIFJH-HNNXBMFYSA-N 289.379 3.641 30 20 CHED SCc1ccc(Br)c(Br)c1 230278132 MVKDIMAZOCPSSK-UHFFFAOYSA-N 282.000 3.641 30 20 CHED CCC1(CC)CN(C(=O)c2c[nH]c(C#N)c2)c2ccccc21 331592759 NKLFJAVWFDPZDH-UHFFFAOYSA-N 293.370 3.605 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2occc2C(C)C)no1 426234835 AOVKMFGZYKQHDJ-MRXNPFEDSA-N 290.363 3.933 30 20 CHED CC[C@@H](C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 330912063 WMFOHDNLBDGWDU-OAHLLOKOSA-N 288.366 3.662 30 20 CHED CCc1nc(C)c(N/C(O)=N/[C@@H](C)CC(C)(C)OC)s1 331167225 BOCJVEGRGJBMLL-VIFPVBQESA-N 299.440 3.543 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C2=C(C)CCC2)cc1 437660535 FYVRYNIVAYHHIL-UHFFFAOYSA-N 298.386 3.832 30 20 CHED CC1(C)CCC[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 333262755 BENFZXOQBKEDFP-DYVFJYSZSA-N 274.408 3.545 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc2cc(F)ccc2o1 435752227 WVTWAQNKMMWVEX-PXAZEXFGSA-N 289.350 3.643 30 20 CHED Cc1cc2occ(C(=O)N(C)CC(C)(C)C#N)c2cc1C 336556366 CBGDORGCLBTKBW-UHFFFAOYSA-N 284.359 3.671 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1cc(C#N)oc1C 436207689 YAHDSEMLUOKVIQ-GFCCVEGCSA-N 262.353 3.548 30 20 CHED CC(C)CCN(CCC#N)Cc1ncccc1C(F)(F)F 93100799 IERNJZPEUKLWAB-UHFFFAOYSA-N 299.340 3.862 30 20 CHED CC(C)[C@H]1CCCCN1c1snc(Cl)c1C#N 92898631 JXWLNUBTZHJIAD-SNVBAGLBSA-N 269.801 3.683 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 247543851 RGABVEHROBNWII-LEWSCRJBSA-N 297.320 3.890 30 20 CHED N#Cc1ccc(CN2Cc3cccc(Cl)c3C2)c(F)c1 347405673 ASAWKRYAZUSREH-UHFFFAOYSA-N 286.737 3.867 30 20 CHED N#CCSCCCN1CCC(c2ccccc2F)CC1 525309122 ZOIAMZUOSZVKFG-UHFFFAOYSA-N 292.423 3.652 30 20 CHED C=C(C)CN(CC)C(=O)c1c(-c2ccccc2)noc1C 248278034 ZNNLHXNRKMUWHG-UHFFFAOYSA-N 284.359 3.688 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CC[C@@H](CC)O1)c1ccccc1 435282150 UIRHYMNUILOZMH-IXDOHACOSA-N 287.403 3.768 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2cccc3ocnc23)c1 344049441 MRUQEVAIUWOBFY-UHFFFAOYSA-N 297.701 3.605 30 20 CHED N#C[C@H](C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1nc2ccccc2[nH]1 249529463 XBGUJFXDTZYFEB-IGQOVBAYSA-N 293.370 3.565 30 20 CHED C=CCCCCCN(C)Cc1nc2cccnc2s1 341572180 BNJIKENHMWBQEY-UHFFFAOYSA-N 275.421 3.870 30 20 CHED N#CCc1ccc(CNc2ccccc2-n2cccn2)cc1 342446500 XQXVYMCHNGMUQE-UHFFFAOYSA-N 288.354 3.550 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(F)c(F)c1F 432481513 BSPHOSZXJQAEQV-UHFFFAOYSA-N 286.297 3.828 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc2c(C)c(C)ccc2[nH]1 435732700 RFBFXRIODQBHCX-HNAYVOBHSA-N 298.430 3.856 30 20 CHED C=CCC[C@@H](NCc1ccc(OC)c(OCC)c1)C1CC1 438997915 SBQZRMPZVLPLCC-MRXNPFEDSA-N 289.419 3.928 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2ccc3occc3c2)C1 529277747 ZZNLWGKJTBCXEA-LBPRGKRZSA-N 283.331 3.590 30 20 CHED CC(C)N(Cc1cccc(Cl)c1)CC1(C#N)CC1 343148043 KEGXVJYONBVCLH-UHFFFAOYSA-N 262.784 3.854 30 20 CHED CC[C@H](c1ccc(F)cc1F)N(CC)C[C@H](C)C#N 245764932 JGYMUVOGXBVWRZ-IAQYHMDHSA-N 266.335 3.897 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)Nc1ccc(CC#N)cc1 247065957 HJYCGHXIJUZPHE-DVOMOZLQSA-N 285.391 3.699 30 20 CHED N#Cc1cccc(CN2CCCCC[C@@H]2c2ccco2)n1 602470535 HKQUEWUMINHTHZ-MRXNPFEDSA-N 281.359 3.664 30 20 CHED N#CC1(CCCSC2CCCC2)CCOCC1 344604657 BDLYGCDFVSSCMJ-UHFFFAOYSA-N 253.411 3.763 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)nc2)n1 341166080 GVRQXTHNZUBYBB-SMDDNHRTSA-N 282.347 3.687 30 20 CHED Cc1ccc(C#N)c(NCCc2cc3ccccc3o2)n1 346855377 UHZKHHSWIAZJMJ-UHFFFAOYSA-N 277.327 3.663 30 20 CHED C=CCC(C)(C)c1noc(CSc2ccncc2)n1 340833863 XPOISPBFNAFFNR-UHFFFAOYSA-N 275.377 3.611 30 20 CHED Cc1c(C(=O)/C=C\c2cccs2)cccc1[N+](=O)[O-] 255641645 XTCUXQGSMQFAMP-FPLPWBNLSA-N 273.313 3.861 30 20 CHED C[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 341448957 FJYQSWVCTXYVQE-OIISXLGYSA-N 299.418 3.767 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1ccc(SC)cc1 255493609 CIYUXLHWBMDROV-YFHOEESVSA-N 286.400 3.601 30 20 CHED O=C(/C=C\c1ccc(Cl)s1)c1cncc(F)c1 255341815 IJEFWGCBGWYHQH-IWQZZHSRSA-N 267.712 3.832 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)Cc2ccc(C#N)cc2)C1 600225847 CTXRFRAXUXHPQB-UHFFFAOYSA-N 284.403 3.528 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[C@H](C)C2)c1 444826472 HOQAHCNYPVEMHS-DZGCQCFKSA-N 288.391 3.952 30 20 CHED Cc1c(C#N)cccc1-c1nc([C@H]2CCCCS2)no1 346884319 MXSHIPVCLFNYGE-CYBMUJFWSA-N 285.372 3.875 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C2CCC2)cc1 347660458 WJDVWZMRIQCYSL-UHFFFAOYSA-N 273.376 3.875 30 20 CHED CC(C)(C#N)CCSCc1nccn1CC(F)(F)F 341895229 ZDMIVLSYNJBAKA-UHFFFAOYSA-N 291.342 3.618 30 20 CHED C[C@@H](CCC#N)CN[C@H](CC(C)(C)C)C(F)(F)F 602598060 ADDXNOWXOOMTCY-WDEREUQCSA-N 264.335 3.883 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccco1)c1ccccc1 607456689 YALRKLVIWFZHOZ-ZDUSSCGKSA-N 255.317 3.602 30 20 CHED N#CCCCN[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 449236638 YJZSBIHMCGAUGL-ZBFHGGJFSA-N 276.811 3.945 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)CCc1ccc(C#N)cc1 609034597 YGKZOKPTGXUPHC-ZWKOTPCHSA-N 298.430 3.966 30 20 CHED Cc1cccc(C)c1OC[C@H](C)NC[C@H](C)CCC#N 602521239 LKKFBGKIAIROGD-CJNGLKHVSA-N 274.408 3.600 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H](C)c1ccco1 607475805 JJBLENIBBURGCK-CYBMUJFWSA-N 287.334 3.737 30 20 CHED C=CCCCc1nc(Cc2ccc3c(c2)CCC3)no1 445387004 UQRRZOOADZEYOI-UHFFFAOYSA-N 268.360 3.658 30 20 CHED CC[C@H](C#N)NC(=O)c1sc2cccc(C)c2c1Cl 608816656 VTLOASOLLRDYAG-SECBINFHSA-N 292.791 3.895 30 20 CHED Cc1ccccc1[C@H](NC(=O)CC#N)[C@H]1CCC[C@@H](C)C1 356223596 OFGJGHDGISWJBM-QIIPPGSGSA-N 284.403 3.892 30 20 CHED C=CCCCSCC(=O)Nc1cc(Cl)ccc1OC 609805243 ZBVAPXHDMKINSX-UHFFFAOYSA-N 299.823 3.987 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(Sc3ccccc3)CC2)C1 442772551 AZYNSWKOAKQADG-UONOGXRCSA-N 272.417 3.593 30 20 CHED C=CCCC1(C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 354125640 SHLLAFJNKFQITC-UHFFFAOYSA-N 274.751 3.897 30 20 CHED C[C@H](C(=O)NC1(C#N)CCC1)c1c(Cl)cccc1Cl 611168790 HEAOIKQSIAWSAN-VIFPVBQESA-N 297.185 3.659 30 20 CHED C[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H]1C 443513918 YIMKZDUOGXXQNP-VHSXEESVSA-N 283.297 3.597 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/Cc2ncccc2C)cc1 262515161 FWNLJSPNPPTBFE-ZDUSSCGKSA-N 296.418 3.830 30 20 CHED CC(C)(C#N)CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 611689884 SRIOREQMOJCBAX-IRXDYDNUSA-N 292.382 3.609 30 20 CHED C=CCCCNC(=O)N[C@H](c1ccc(F)cc1F)C(C)C 447963420 JWBHTXDVJQKKEG-HNNXBMFYSA-N 296.361 3.927 30 20 CHED C[C@@]1(C#N)CCCN(Cc2nc(-c3ccccc3)cs2)C1 612406883 WARYJITWFIIJCJ-KRWDZBQOSA-N 297.427 3.936 30 20 CHED C=CCC1(C(=O)Nc2cnccc2OC)CCCCC1 448833373 CNUZAPBCNWZMFO-UHFFFAOYSA-N 274.364 3.555 30 20 CHED C=CCCC(=O)Nc1cccc2c1CN(CC(C)C)C2 269542216 BBNBXLXLNXCZFQ-UHFFFAOYSA-N 272.392 3.563 30 20 CHED N#CC1(F)CCN(C(=O)c2ccc(C3=CCCC3)cc2)CC1 355347902 NWMIEEWPYDKTEL-UHFFFAOYSA-N 298.361 3.722 30 20 CHED C[C@H](Cc1ccncc1)Nc1nc(C(C)(C)C)ccc1C#N 613426867 LAGNDXJMQCCJQI-CYBMUJFWSA-N 294.402 3.689 30 20 CHED N#Cc1ncccc1N[C@@H]1CCCc2ccc(F)cc21 357699925 DDZUIOMJFSYQTB-CQSZACIVSA-N 267.307 3.582 30 20 CHED Cc1cc(C)c(N[C@H](C)c2cccc(C#N)c2)cc1CO 615705082 LNDHCOXKZHFRAE-CQSZACIVSA-N 280.371 3.841 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1sccc1C#N)C2 353606103 SYAKKBHTWHREKR-OZVIIMIRSA-N 288.416 3.564 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CCC)C1CCCC1 449302490 VKQDRCWSHFRLBG-BBWFWOEESA-N 265.441 3.916 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)NCC(C)(C)CCC#N 359758708 RLHVYDFIYLQSDI-OAHLLOKOSA-N 294.439 3.560 30 20 CHED C[C@H]1CCC[C@H](c2noc(COc3ccc(C#N)cc3)n2)C1 356184766 DZCGLLFGJKAAKJ-JSGCOSHPSA-N 297.358 3.814 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1Cc1cc(C#N)ccc1F 610004015 YWBHSNVGDRNFJG-GFCCVEGCSA-N 298.336 3.956 30 20 CHED CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 457315339 ZFHCTRIKXUXNFV-APWZRJJASA-N 296.414 3.796 30 20 CHED CSc1ccccc1C(=O)N[C@@H](C)c1cccc(C#N)c1 610363402 KUYYYEZDEOOZRT-LBPRGKRZSA-N 296.395 3.771 30 20 CHED N#Cc1ccc(Sc2ncc(F)cn2)cc1C(F)(F)F 360169945 HGDPITZGQKVXGP-UHFFFAOYSA-N 299.252 3.657 30 20 CHED Cc1cccc([C@@H](C)NC(=O)N2CCC[C@](C)(C#N)C2)c1C 612372265 NIKZPNJYQSKEDD-CRAIPNDOSA-N 299.418 3.700 30 20 CHED C=CCC1(C(=O)N2CC3(CCCC3)C2)CCCCC1 450792417 NMACSBJHJJUGFB-UHFFFAOYSA-N 261.409 3.916 30 20 CHED C=CCC1(C(=O)NCC(=O)c2cccs2)CCCCC1 450462861 JXTCKDSMYUNEQU-UHFFFAOYSA-N 291.416 3.574 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@H](C)c1cccc(C#N)c1 611328758 BSJIBIFXOJGUNC-XJKCOSOUSA-N 285.391 3.592 30 20 CHED Cc1ccc(CC[C@@H](C)NCC(C)(C)CC#N)cc1 459725568 CZUACMZPZOXCHB-OAHLLOKOSA-N 258.409 3.846 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)c1cccc(O)c1 278622839 FYEROQIPPKEJQM-CYBMUJFWSA-N 260.381 3.763 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1ccccc1OC 455303867 BCACFFXMEDAOHT-HNNXBMFYSA-N 288.391 3.508 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(C#N)cc1 610004506 NMCMFCLMWJEPLK-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C#CCCCNc1ccccc1S[C@@H](C)CC#N 270907821 LBEMPOZYSPTEJG-ZDUSSCGKSA-N 258.390 3.906 30 20 CHED Cc1nnc(SCCCc2ccsc2)c(C#N)c1C 543030520 URZIFTNACWQCRH-UHFFFAOYSA-N 289.429 3.752 30 20 CHED CCC[C@@H](OC)c1noc(C2(c3cccc(C#N)c3)CC2)n1 453200357 RNJAOKCGGVAWAV-CQSZACIVSA-N 297.358 3.509 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)CCCc1cccnc1 459647369 JXMGZNIZZIGZFC-ARFHVFGLSA-N 260.425 3.983 30 20 CHED Cc1ccc(Br)c(NC(=O)CC(C)(C)C#N)c1 278774942 OSVPINVLEGENSD-UHFFFAOYSA-N 295.180 3.636 30 20 CHED Cc1cnc([C@@H](C)Nc2ncc(Cl)c(C)c2C#N)s1 273368493 RILWNSLXAZIOKU-SECBINFHSA-N 292.795 3.853 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 456829618 OWFUDGXSWRWXEU-ZIAGYGMSSA-N 297.320 3.891 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1cccc(F)c1 620858582 KDYRWJXDISIAJI-LBPRGKRZSA-N 263.356 3.790 30 20 CHED C=C[C@H](CC(=O)NC1(C)CCCC1)c1ccccc1 270313968 VZGFWKLOZXIULD-CQSZACIVSA-N 257.377 3.795 30 20 CHED N#CCCCCNC(=O)c1ccccc1CCC(F)(F)F 270293554 MCZCDUPKRBXOPE-UHFFFAOYSA-N 298.308 3.605 30 20 CHED Cc1ccccc1[C@H](NCCC(C)(C)C#N)C1CC1 272011073 KIGPYHYAJJDURE-MRXNPFEDSA-N 256.393 3.976 30 20 CHED C=CCOc1cccnc1-c1nc(-c2ccccc2C)no1 544931567 LADHQCNIHMWSPZ-UHFFFAOYSA-N 293.326 3.672 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)[C@H](C)c2cccc(C#N)c2)C1 462140175 PGOQIQKWAXROMT-CKEIUWERSA-N 284.403 3.747 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2nc(C)sc2c1 276296406 KOYZKGCNXYIIGB-UHFFFAOYSA-N 275.377 3.645 30 20 CHED CC[C@@H](NCCc1ccncc1C)c1ccc(C#N)cc1 278799778 RCDOSYFFIOPDCV-GOSISDBHSA-N 279.387 3.545 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccccc1F 280933068 VKZSZRLLLKNWGX-XYPHTWIQSA-N 277.383 3.848 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc2cc(OC)ccc2c1 286918213 KPHKUTAQIYPRAO-CYBMUJFWSA-N 299.370 3.768 30 20 CHED C=CCC(CC=C)C(=O)NCC(C(C)C)C(C)C 469823640 XNTFHPDPMFPPGM-UHFFFAOYSA-N 251.414 3.799 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 462605807 IUORNZCHLMPCII-KBPBESRZSA-N 270.376 3.523 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](NCCc2cccc(C#N)c2)CS1 467541268 DWAIHGHZWZTTIB-CVEARBPZSA-N 288.460 3.611 30 20 CHED C=CCC[C@@H](NCCN1CCC[C@@H](C)C1)c1ccco1 552254626 NYOLELHYHALUAQ-HZPDHXFCSA-N 276.424 3.608 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(SC)ccc1C 466528388 OBBKOSJGFDUWSS-GFCCVEGCSA-N 263.406 3.801 30 20 CHED CC#CC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C 283102241 GFMPHEICTLKUNM-CQSZACIVSA-N 283.293 3.542 30 20 CHED C=CC[C@H](C)N[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 638611311 TWROLNDGEQDMJC-VDZJLULYSA-N 284.447 3.909 30 20 CHED CC(C)(C#N)CCOc1cc(C=O)cc(C(F)(F)F)c1 289701461 IPAHYRAOXASPMD-UHFFFAOYSA-N 285.265 3.837 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](C)C1 558992531 YCPAHBMTCSVKSA-GASCZTMLSA-N 296.418 3.613 30 20 CHED CC#CCCCC(=O)NCc1ccc(OCC)c(Cl)c1 556473534 OZGVAVDJTVZQPY-UHFFFAOYSA-N 293.794 3.549 30 20 CHED CCSc1ccc([C@H](C)N=c2cc(C)[nH]c(C#N)c2)cc1 553362156 HAAHFVIHSOVMIG-ZDUSSCGKSA-N 297.427 3.969 30 20 CHED CC(C)(C)CCCCC(=O)N[C@@H](C#N)C(C)(C)C 553059398 IYNWJVDVVDMANM-LBPRGKRZSA-N 252.402 3.647 30 20 CHED C=CC[C@H](CC)NC(=O)c1sccc1SC 281387748 OAORYWDPDXBSPH-VIFPVBQESA-N 255.408 3.555 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](CO)c1ccccc1Cl 554085418 BOFZFIJSDJDXIL-BFHYXJOUSA-N 281.827 3.606 30 20 CHED C=CC[C@H](CC)NC(=O)c1cn(C)nc1C1CCCCC1 281482887 UUHIVUDGGYRTCX-AWEZNQCLSA-N 289.423 3.552 30 20 CHED C=CC[C@@H](C(=O)N1CCCc2occc2C1)c1ccccc1 289610963 HSEQUIVLDYHLQJ-QGZVFWFLSA-N 295.382 3.914 30 20 CHED C=CCCCCNC(=O)c1csc(C(C)(C)C)n1 471680464 UJPBINLOYPSHPU-UHFFFAOYSA-N 266.410 3.527 30 20 CHED C=CCCC1(C(=O)NC[C@@H](C)c2ccc(F)cc2)CC1 475170730 AYPWFXLCSKTLSN-CYBMUJFWSA-N 275.367 3.792 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 808272997 PYOYVRBPDMZYDR-VXGBXAGGSA-N 272.820 3.595 30 20 CHED Cc1cc(OC(=O)[C@@H](C)c2ccco2)c(C)c(C)c1C#N 809036150 RLPCNUXPDWVFDD-ZDUSSCGKSA-N 283.327 3.786 30 20 CHED CCc1ccc(C=NOCc2cccnc2C)cc1 809992885 POYVQHLUOPPBQZ-UHFFFAOYSA-N 254.333 3.503 30 20 CHED C=CCCCCNC(=O)c1csc(-c2cccs2)n1 471669990 XWJUVKXCCOMOOJ-UHFFFAOYSA-N 292.429 3.958 30 20 CHED C=CCCCCNC(=O)c1cc(CC)c(C)s1 471666897 IPHDVBQSUMLECR-UHFFFAOYSA-N 251.395 3.705 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)c2cccs2)cc1 290111061 FLICNGJMJDKXCP-SWLSCSKDSA-N 298.411 3.795 30 20 CHED Cc1cc(Cl)c(NC(=O)C2(C#N)CCC2)cc1C 296067218 NWKLOBPSCQNCEZ-UHFFFAOYSA-N 262.740 3.589 30 20 CHED C[C@H](NCCCc1ccccc1F)c1cccc(C#N)c1 479507823 DIFDJLGURLUDIG-AWEZNQCLSA-N 282.362 3.981 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)C[C@H](C)CCC=C(C)C 567272730 SDLKLXPRZSTIHW-ZBFHGGJFSA-N 296.480 3.911 30 20 CHED CCSc1ccccc1C(C)=NN[C@H]1CCSC1 807999324 KIWSKTUJWPQVOS-LBPRGKRZSA-N 280.462 3.618 30 20 CHED Cc1cc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)no1 290766258 RXJIDJKLGFINQJ-HIFRSBDPSA-N 269.348 3.679 30 20 CHED Cc1cscc1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 647378430 YYZLYDXFIWIEAL-JTQLQIEISA-N 288.397 3.881 30 20 CHED N#Cc1nnc2ccccc2c1NCC[C@H]1C[C@H]2CC[C@H]1C2 394226388 SPRTVJUTEOHSBK-IHRRRGAJSA-N 292.386 3.740 30 20 CHED N#Cc1nc(F)ccc1OCCCc1ccccc1Cl 808273758 BQSCWICQAMQFDN-UHFFFAOYSA-N 290.725 3.757 30 20 CHED FC(F)(F)c1cc(C=NNc2ncccc2Cl)c[nH]1 807964888 ZXXRRLGZOWORIG-UHFFFAOYSA-N 288.660 3.528 30 20 CHED CC(C)(C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1Cl 291361400 BKPDMLIIAPVGTQ-CYBMUJFWSA-N 292.810 3.672 30 20 CHED C[C@H]1/C(=C/c2cccc(OCC#N)c2)C(=O)c2ccccc21 809155672 CVFAXHZKSIBOAR-FDIDITGRSA-N 289.334 3.972 30 20 CHED C=CCCCCNc1ccc(C(=O)NC(C)C)c(C)c1 568476223 GLYICBKGICZZOC-UHFFFAOYSA-N 274.408 3.901 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cnc3ccc(C)cn23)no1 561933645 VDQITCFBXVCHKV-INIZCTEOSA-N 282.347 3.546 30 20 CHED C=CCC[C@H](NC[C@H]1Cc2ccccc2O1)c1ccco1 560544870 KAKHCJUMCHAETD-CVEARBPZSA-N 283.371 3.880 30 20 CHED CCc1ccc(N(CC(C)C)C(=O)CCCC#N)cc1 813236000 DMEVXHTWXJZQAN-UHFFFAOYSA-N 272.392 3.932 30 20 CHED CC(C)[C@H](C)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813210998 BYMJCOOCLZAJFR-ONGXEEELSA-N 284.281 3.569 30 20 CHED Fc1ccc(C#CCN2CC[C@H](c3cccc(F)c3)C2)cc1 489851309 WJEYRCBAOJGCAX-KRWDZBQOSA-N 297.348 3.806 30 20 CHED N#Cc1ccccc1NC(=O)C[C@@H]1CCc2ccccc2C1 480234539 SEQUTYKQOVAFRT-CQSZACIVSA-N 290.366 3.692 30 20 CHED CON(Cc1ccccc1Cl)C(=O)CCCCCC#N 812429038 DHBFEMXBRYQDOJ-UHFFFAOYSA-N 294.782 3.704 30 20 CHED C#Cc1ccccc1CC(=O)NC(C)(C)c1cccc(C)c1 813009942 FSHSCGHMBLRLAW-UHFFFAOYSA-N 291.394 3.570 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1ccc(C(C)(C)C)cc1 482201767 XIEDAKBOFMALIJ-CYBMUJFWSA-N 259.393 3.607 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccccc1C(=O)O 814768862 NZTNROQAXFJYAB-LBPRGKRZSA-N 285.347 3.503 30 20 CHED Cc1ccc(-c2nc(-c3sccc3C)no2)cc1C#N 810317604 WZRVZIWLIUBXTQ-UHFFFAOYSA-N 281.340 3.954 30 20 CHED C=CCCCS(=O)(=O)N(CCC(C)C)C1CCCC1 489263899 LCGUABIVCUYTQC-UHFFFAOYSA-N 287.469 3.573 30 20 CHED C[C@H]1CN(Cc2ccc(CC#N)cc2)c2cccc(F)c2O1 481826775 YCKSLNYDTNOGKJ-ZDUSSCGKSA-N 296.345 3.679 30 20 CHED C[C@@H]1CN(c2nc3ccccc3cc2C#N)CCC1(F)F 811848476 GKUZLMMGAKASBR-LLVKDONJSA-N 287.313 3.588 30 20 CHED C[C@H](C#N)CNN=Cc1c[nH]c2ccc(C(C)(C)C)cc12 811645366 JOIIYJBTYXPDLK-GFCCVEGCSA-N 282.391 3.549 30 20 CHED CC1(C)CCC(C=NNc2nc(-c3cccnc3)no2)CC1 814949396 IWWCODCCXIYOCE-UHFFFAOYSA-N 299.378 3.746 30 20 CHED C=CCC(F)(F)C(=O)N(CC)[C@H]1CCCC[C@H]1C 815308997 RYSROOFCTSPKHN-NEPJUHHUSA-N 259.340 3.625 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cc(C(=O)O)c(C)[nH]1 812232281 BFCWXJBFKGKXST-UHFFFAOYSA-N 299.374 3.899 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H](CSC)C2)CCCCC1 817059859 HKZDZGPSYOFOOM-OAHLLOKOSA-N 293.476 3.562 30 20 CHED C#CCCCCCC(=O)Nc1cc(OC)c(C)c(OC)c1 817137251 MOTMRFGXOGDKEK-UHFFFAOYSA-N 289.375 3.534 30 20 CHED C=CCCC1(C(=O)N2CCN(CC)c3ccccc32)CC1 483512293 ILORBUWSDAIWLX-UHFFFAOYSA-N 284.403 3.606 30 20 CHED C#C[C@@H](NC(=O)c1cc2cc(C)ccc2s1)C(C)C 811491366 IUZUSQJDMVYOFQ-CYBMUJFWSA-N 271.385 3.597 30 20 CHED C/C(=C/C(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 729448585 WIWOQLZSDKRMHA-SQFISAMPSA-N 284.403 3.878 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](Cc1ccccc1)C(C)C 481164118 OOIZPXZSGPOVPI-QGZVFWFLSA-N 273.420 3.926 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@]1(C)OCCc2sccc21 572209171 PRVUPNGDNDAHMY-ZENOOKHLSA-N 279.449 3.726 30 20 CHED C=CCOCC(=O)O[C@H](C)c1cccc2ccccc12 729759477 WSBROGNMMYHUSK-CYBMUJFWSA-N 270.328 3.647 30 20 CHED Cc1nc2ccccc2cc1OCc1ccccc1C#N 570607962 AOZRKLJVLZOZHE-UHFFFAOYSA-N 274.323 3.994 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)o2)c2c(c1)C[C@@H](C)O2 727744290 NGSMBGHWEJEBTF-FOQNGQEVSA-N 298.338 3.816 30 20 CHED C=CC[C@@H]1CCCN(CCc2noc3ccccc23)C1 661387274 XSEHAUAYRWVCBD-CQSZACIVSA-N 270.376 3.658 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)[C@@]23CCC[C@@H]2C3)cc1 576623824 DUPLRNSVWVFVGT-RDTXWAMCSA-N 298.386 3.522 30 20 CHED C=CCCCC[C@H](C)NCC[C@H](O)c1ccccc1 824390004 YPVPRQIUMQKDOJ-RDJZCZTQSA-N 261.409 3.835 30 20 CHED C[C@H]1CCc2ccccc2N1Cc1ccc(OCC#N)cc1 729267272 OSENETHRBNELGJ-HNNXBMFYSA-N 292.382 3.930 30 20 CHED C=C(C)[C@@H](CC(=O)NCC(C)(C)C(C)(C)C)OCC 584190788 ZTOCBHJTIFGSNT-CYBMUJFWSA-N 269.429 3.546 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 588258473 KUJWOMLVTRSIAG-ARFHVFGLSA-N 276.424 3.936 30 20 CHED C=CCCNC(=O)N(Cc1ccc(C)s1)C(C)C 665945428 IJFNUOFOVZIWSG-UHFFFAOYSA-N 266.410 3.553 30 20 CHED C#CCOCCC(=O)N(C1CCCC1)[C@H](C)c1ccccc1 823826765 NUQRBBGAHUTQHF-MRXNPFEDSA-N 299.414 3.559 30 20 CHED C=CC[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccncc1 734233977 DHSRENQDWSBFKY-OZSKJFCKSA-N 296.345 3.668 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC(C)C)c1ccccc1 498885323 BSYDJLYAGKJAMH-OAHLLOKOSA-N 275.392 3.657 30 20 CHED C=CC1CCN(C(=O)c2ccccc2OCC(C)C)CC1 732002917 DBGUIWMZNBWHDX-UHFFFAOYSA-N 287.403 3.760 30 20 CHED C=C(C)[C@H](CC(=O)OCC[C@@]1(C)C[C@@]1(F)Cl)OCC 822048362 IVEORTQCRFCRHW-UBHSHLNASA-N 292.778 3.606 30 20 CHED C=CCOC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 738749026 GNUZGSNYCZKTCB-UHFFFAOYSA-N 278.311 3.645 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 736398666 CFKXPNWJHIXFCI-CQSZACIVSA-N 292.810 3.851 30 20 CHED Cc1cccc(-c2cccc(C(=O)N(C)C[C@H](C)C#N)c2)c1 906380643 RJVQAYCRFCFZMF-OAHLLOKOSA-N 292.382 3.894 30 20 CHED C=CCCC[C@H](NCc1ccc(CC(C)C)cc1)C(=O)O 900068803 OXWYOTGAEXTWAS-KRWDZBQOSA-N 289.419 3.784 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)/C(=C/C)CC 839891391 OBBVEVFDTYWYKG-UZPPOTPCSA-N 257.377 3.646 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2nnc(C)s2)CCCC1 838283977 JUIYWJLEQZPBFP-SNVBAGLBSA-N 280.393 3.587 30 20 CHED C=CCC1(NC(=O)Nc2cc(C)n(C(C)C)n2)CCCC1 667271415 RSQYRKGCKAHNEB-UHFFFAOYSA-N 290.411 3.783 30 20 CHED Clc1ccc2cccnc2c1CON=C1CCC1 735489715 CVODGSMYLGRERK-UHFFFAOYSA-N 260.724 3.945 30 20 CHED C[C@H](OC(=O)C(C)(C)C1CCC1)c1ccc(C#N)cc1 835203759 PIHIAWRLNZIDIW-LBPRGKRZSA-N 271.360 3.989 30 20 CHED C=C1CCC(C(=O)N[C@H](C)CC(=O)c2cccs2)CC1 901173744 AAZPKALPSOUUQC-GFCCVEGCSA-N 291.416 3.572 30 20 CHED CC(=NNc1ccc(Cl)nn1)[C@@H]1CCCC[C@H]1C 834921801 WZTUOWBVODHIJH-MWLCHTKSSA-N 266.776 3.744 30 20 CHED C[C@H](C#N)OCCN(C)[C@@H]1CCCC[C@@H]1c1ccccc1 839652078 YZEJWRMTMBYBGQ-KBAYOESNSA-N 286.419 3.573 30 20 CHED CC(C)COc1ccccc1C=NO[C@H]1CCCCO1 834967253 VWYLFSVJSDFGEU-INIZCTEOSA-N 277.364 3.599 30 20 CHED C=CC[C@@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccncc1 734460681 RQINZDUBPRZPHF-GOSISDBHSA-N 294.398 3.675 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)c1oc2c(C)cccc2c1C 580402326 KIUDCPCPOIYPEF-CABCVRRESA-N 299.370 3.513 30 20 CHED C=C[C@@](C)(CC)C(=O)N(OC)[C@@H](C)c1csc(C)n1 833743994 RTTPVAJBZVZPJD-HZMBPMFUSA-N 282.409 3.505 30 20 CHED C=CCOCc1nc([C@H](c2cccc(C)c2)C(C)C)no1 582267677 GGHDISKMSIYIBF-INIZCTEOSA-N 286.375 3.869 30 20 CHED CC[C@H](CC(C)C)C(=O)O[C@H]1CCC[C@H](C#N)C1 839060215 YJKFPINCVNTCHM-MJBXVCDLSA-N 251.370 3.684 30 20 CHED Cc1ccccc1CN(C(=O)CCCCCC#N)C1CC1 588277986 VHDAJSLRSNNDRB-UHFFFAOYSA-N 284.403 3.960 30 20 CHED C[C@@H](NN=C/C=C\c1ccc(F)c(F)c1)C(F)(F)F 834998382 TWBTZKHYOBUJTJ-YGCDBKRBSA-N 278.224 3.504 30 20 CHED CCC(CC)NN=Cc1sc2nc(C)nc(C)c2c1C 734366208 IUFGHTCTIJUWGN-UHFFFAOYSA-N 290.436 3.729 30 20 CHED Cc1ccc(N(C)Cc2ccc(OCC#N)cc2)cc1C 731211598 QEIPZTSZTCVNIY-UHFFFAOYSA-N 280.371 3.842 30 20 CHED S=C(NN=C1CCC[C@H](C2CC2)C1)NC1CCCCC1 737416789 FUJUQEZKGFPEFR-ZDUSSCGKSA-N 293.480 3.739 30 20 CHED C=CC[C@H](NC(=O)c1cccc(C)c1C)c1ccncc1 734237358 OIHOTMNHMDLHLB-KRWDZBQOSA-N 280.371 3.746 30 20 CHED C#CCN(C(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 836188521 BISNEPIXHOUPDU-UHFFFAOYSA-N 270.376 3.614 30 20 CHED CC(C)(C)C#CC(=O)Nc1cc(C(F)(F)F)ccc1F 837390294 FNVAJEISRDYQPG-UHFFFAOYSA-N 287.256 3.833 30 20 CHED C=CCc1ccc(OC(=O)c2cc(C)[nH]c2C)c(OC)c1 915138517 ZCZJPHZMCIAMRL-UHFFFAOYSA-N 285.343 3.588 30 20 CHED CC[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(F)(F)F 835655974 DJRAEWYYIQYUIT-STQMWFEESA-N 299.292 3.958 30 20 CHED CC[C@@H](C#N)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 593401186 ZSTIMXFCRSOIMO-QWRGUYRKSA-N 298.308 3.775 30 20 CHED N#Cc1ccc(/C=C2/CCc3c(O)cccc3C2=O)s1 749006354 UAENWLKAJAUXKF-NTMALXAHSA-N 281.336 3.538 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](C)c1csc2ccccc12 845636201 MLYJGKMOZHSCAB-QWRGUYRKSA-N 290.388 3.768 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)NCC#Cc1ccccc1 590614868 AMBIFJHLYPZJQK-ZWKOTPCHSA-N 298.430 3.696 30 20 CHED CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)C1CC1 596834196 UTZYDBATFPESEK-KRWDZBQOSA-N 299.418 3.667 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2ccc(C)cc21 678922690 UDFMLCRALDQQEM-AWEZNQCLSA-N 272.392 3.812 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 741845670 VIEUCVCOPHQGGB-QJLVKKIYSA-N 288.347 3.688 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccccc1SC(C)C 594097301 IYGFIODATXUHGN-LBPRGKRZSA-N 276.405 3.561 30 20 CHED CC(C)(C#N)COC(=O)C1(c2ccccc2Cl)CCC1 845509894 KEJWBRHJTNKSOW-UHFFFAOYSA-N 291.778 3.855 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@]1(C)CCc2ccccc21 592587706 SRVSVVYDEZSLBN-LJQANCHMSA-N 290.366 3.709 30 20 CHED O=[N+]([O-])c1cc(C=NNc2ccc(F)cc2)ccc1Cl 916268101 JSPGGBWUEBHVSK-UHFFFAOYSA-N 293.685 3.833 30 20 CHED O=C1/C(=C2/COc3ccc(F)cc32)CCc2c(O)cccc21 742435193 RELJDWZWGVIBND-SQFISAMPSA-N 296.297 3.506 30 20 CHED CCc1nnc(S[C@@H](C)c2ccc(C#N)cc2)s1 594913818 HLHZRAOIMHNTIS-VIFPVBQESA-N 275.402 3.825 30 20 CHED N#Cc1cccc(CSCc2cc3n(n2)CCCC3)c1 593193467 CYFLXAPECTVWJT-UHFFFAOYSA-N 283.400 3.524 30 20 CHED Cc1ccc(-c2ccc3c(c2)OCCC[C@H]3O)c(C#N)c1 844231772 GOAYLZGKZREXPY-QGZVFWFLSA-N 279.339 3.740 30 20 CHED C=C(C)CNC(=S)N(CC)c1ccc(CC)cc1 745723979 HZFYXOADPZXUQZ-UHFFFAOYSA-N 262.422 3.526 30 20 CHED Cc1oc(C#N)cc1C(=O)N(c1cccc(F)c1)C(C)C 598883762 ZLGOFBHATCQBCS-UHFFFAOYSA-N 286.306 3.654 30 20 CHED CCCCCCCCCN(C)C(=O)C1=CCCCO1 746153591 ZZNTZHQNVITJDZ-UHFFFAOYSA-N 267.413 3.890 30 20 CHED CCCCCCCCCC(=O)Nc1nc(C)ns1 742829469 OMBFSZCSRCPZGD-UHFFFAOYSA-N 269.414 3.926 30 20 CHED C/C=C(\C)COC(=O)C[C@H](CC#N)c1ccccc1 842845993 MJGHKHFYNUASNZ-TVBJEHIUSA-N 257.333 3.583 30 20 CHED C#CCCCNC(=O)N[C@@H](CC(C)C)c1ccccc1C 743692774 BDPRXXNAIOAYTH-KRWDZBQOSA-N 286.419 3.795 30 20 CHED C=CCCSCCNC(=S)Nc1ccc(C)cc1 849278124 QYVLUQWOSJNWEZ-UHFFFAOYSA-N 280.462 3.591 30 20 CHED C#CCN(CC)C(=O)/C=C(\CC)c1cccc(Cl)c1 744475358 MHBDRHQZWVSZRX-OUKQBFOZSA-N 275.779 3.615 30 20 CHED O=C(/C=C/c1cccnc1)c1ccc2cc(O)ccc2c1 748999508 ATILQWNBYJILBQ-FPYGCLRLSA-N 275.307 3.837 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)c2ccco2)CCCC1(C)C 683457601 BELRAXUKFXVDAA-HIFRSBDPSA-N 275.392 3.976 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)c1cccc(Cl)c1 745307656 XBFJQHWJTIMGHV-VIFPVBQESA-N 259.132 3.739 30 20 CHED C=CC[C@@H](OC(=O)C1SCCS1)c1ccccc1 842341069 WIRYKAIXANSIHC-GFCCVEGCSA-N 280.414 3.653 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)CCc1ccccc1 921219210 QISPYZWLITVNJB-HUUCEWRRSA-N 276.376 3.532 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C\c1ccc(Cl)nc1)C2=O 749006458 WGDXGVRSLCSYMN-RIYZIHGNSA-N 294.741 3.819 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1cccc2cc[nH]c12 759361887 ZIUWPXSKBBWLCO-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(COC(C)(C)C)cc1 752716555 OXYKTJVHQJAGIP-UHFFFAOYSA-N 296.798 3.876 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1cc(C)cc(C)c1 920400713 JLVXIWBWDLDLTF-UHFFFAOYSA-N 285.391 3.709 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)ccn2)C12CCCC2 755906867 RZYUEECYTBZUCA-CQSZACIVSA-N 273.380 3.527 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2)cc1 753428938 RSEPXIJAGUZLRA-CQSZACIVSA-N 281.311 3.938 30 20 CHED C#CCCCCNC(=O)NCCCCCc1ccccc1 758744672 HVULWAAQOMPEFN-UHFFFAOYSA-N 286.419 3.502 30 20 CHED C=CCCC(C)(C)NC(=O)CCC[C@H](O)c1ccccc1 856374725 GHQHMHJUCVRNCM-INIZCTEOSA-N 289.419 3.751 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1Cc2ccc(F)cc21 684387819 QUUHNAACCWNIPR-GOSISDBHSA-N 295.357 3.680 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C(C)(C)C)C2)cc1 753589526 IUVQCSNMPYSMIM-GDBMZVCRSA-N 286.419 3.845 30 20 CHED CCCCCCCCNC(=O)NCc1ccc(C)nc1 754846082 DKGCNLUJWPVGKQ-UHFFFAOYSA-N 277.412 3.550 30 20 CHED COCC[C@@H](OC(=O)CC1(C#N)CCCCC1)C(C)(C)C 851009999 FZXXQEOKAWYWQN-CQSZACIVSA-N 295.423 3.845 30 20 CHED CCOc1cc(/C=C\C(=O)c2cc(C)ccc2O)ccc1O 757476216 OLKSYAVMLDCRKA-YVMONPNESA-N 298.338 3.701 30 20 CHED C=CCC1(NC(=O)C=C(CCC)CCC)CCOCC1 855686922 ZBBVORRZQXZPGH-UHFFFAOYSA-N 279.424 3.755 30 20 CHED CCC[C@@H](C#N)NC(=O)/C(C)=C/c1cccc(Cl)c1 758949243 NRSGFHNXXHSQKP-ZHZWZMEUSA-N 276.767 3.552 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1cccc2ccncc12 755597965 CGMBFMZXYYNTND-CMDGGOBGSA-N 299.333 3.758 30 20 CHED C=CCN(Cc1cc(C#N)ccc1Br)C(C)C 754991469 QJVVDPAPEXDIBY-UHFFFAOYSA-N 293.208 3.717 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccoc1C1CC1 851204602 SDYXPLDXQRUBRB-SNVBAGLBSA-N 261.321 3.642 30 20 CHED CO[C@@H]1CCCCC1=NNc1nc(C(F)(F)F)cs1 755902191 AKGCHHGEOVCWSY-MRVPVSSYSA-N 293.314 3.519 30 20 CHED Cc1cccc(CC(=O)OCc2cccc(C#N)c2)c1Cl 753594199 DOMPJFDJAYHMPP-UHFFFAOYSA-N 299.757 3.806 30 20 CHED C#CCCCCNC(=O)/C=C(\C)c1ccccc1Cl 758636672 NMYHKGHFHNSXAI-OUKQBFOZSA-N 275.779 3.663 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1cc(Cl)cc(Cl)c1 921147503 DOHSLGAVKJARLM-SECBINFHSA-N 289.158 3.880 30 20 CHED CCCCCC[C@H](C)NC(=O)N1CCC[C@@H](CC#N)C1 851937047 FSDNQLOCLVFHBM-GJZGRUSLSA-N 279.428 3.681 30 20 CHED C#CCCCOC(=O)C1(c2c(Cl)cccc2Cl)CC1 759546021 LENAXDOWUSWLKD-UHFFFAOYSA-N 297.181 3.982 30 20 CHED C[C@H](OC(=O)/C=C1\CC[C@@H](C)C1)c1cccc(C#N)c1 753807997 XJGYVBJLPTTYCV-BEFZUUHMSA-N 269.344 3.909 30 20 CHED C#CCCCCNC(=O)Nc1ccc(-c2ccc[nH]2)cc1 752790659 PLFAARFLBZQPAO-UHFFFAOYSA-N 281.359 3.607 30 20 CHED C[C@@H]1CCCCN1N=C1CCC(C(F)(F)F)CC1 853380243 RGNYWEQDIWSCFP-NFJWQWPMSA-N 262.319 3.969 30 20 CHED C[C@@H](C#N)CNN=Cc1ccc(Sc2ccccc2)cc1 753929175 PHXDSOJDQBUAMI-AWEZNQCLSA-N 295.411 3.921 30 20 CHED CC(=NNc1cccc2c1CCCC2)C1CCOCC1 755889587 GMMRFJKNCSHLOP-UHFFFAOYSA-N 272.392 3.780 30 20 CHED C#Cc1ccc(CNC2(c3cccc(OC)c3)CCC2)cc1 850404845 FIFDTRDBOBVBLJ-UHFFFAOYSA-N 291.394 3.846 30 20 CHED C#CC[C@@H](NC(=O)N[C@H]1CCCC1(C)C)c1ccccc1 757032975 KHUXHJQYFQELIS-CVEARBPZSA-N 284.403 3.629 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1c(C)ccc(C)c1C)OCC 756486266 LCVQEARRGKOFBQ-OAHLLOKOSA-N 276.376 3.889 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCCC(C)(C)C#N 850044956 HARLKJVNWVWVPC-LSDHHAIUSA-N 271.360 3.582 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C(F)F)cc1 933095173 FEUNOFCNGJRJMY-UHFFFAOYSA-N 268.307 3.958 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CCc1cc(C)on1 935736449 JFUCPZIBRJCGJH-UHFFFAOYSA-N 298.386 3.521 30 20 CHED CCCCCCCC(=O)OCC(=O)c1ccccc1F 866460597 KSYXLKBCBNGPPK-UHFFFAOYSA-N 280.339 3.912 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc2sccc2c1 761133834 PZISVSKGTJDNFK-LBPRGKRZSA-N 259.330 3.606 30 20 CHED CC/C=C/CCON=CC(=O)Nc1ccccc1Cl 768926607 NXIFOVJCZIJCLW-KJFCXQQNSA-N 280.755 3.637 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNCCc2ccccc2F)o1 764724289 VGJDAPFAVUVJCN-DOMZBBRYSA-N 286.350 3.708 30 20 CHED CCCCCCCCOCc1nc([C@]2(C)CCCO2)no1 763317161 BCRHETUITYEEJY-INIZCTEOSA-N 296.411 3.972 30 20 CHED Cc1cc(OC(=O)[C@H](C)Cc2cccc(F)c2)ccc1C#N 765094659 PWVZEAABEXGBBK-CYBMUJFWSA-N 297.329 3.790 30 20 CHED CC(F)(F)C(C)(C)C=NNc1ccc(C(=O)O)c(F)c1 863118105 NFDRXXBDZXOUGR-UHFFFAOYSA-N 288.269 3.603 30 20 CHED N#Cc1ccc(C2CCN(Cc3cccc(N)c3)CC2)cc1 933607597 SSAIWYZRTTZPAW-UHFFFAOYSA-N 291.398 3.520 30 20 CHED CC[C@H](C)C(=O)OCc1ccccc1C(C)(C)C#N 767987677 MIUIDPGMYSXUGS-LBPRGKRZSA-N 259.349 3.577 30 20 CHED C=CCCC(=O)COC(=O)c1csc2c1CC[C@H](C)C2 761339169 RMKVQCLPHMZJAX-NSHDSACASA-N 292.400 3.565 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@H](CCC)c1cccc(Cl)c1 861340124 GVMYRZCSIVGGLM-IUODEOHRSA-N 277.795 3.704 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1cc(C)ccc1OC 860682734 CARLAURIMDSZEP-ZDUSSCGKSA-N 289.375 3.938 30 20 CHED CC#CCCOC(=O)c1c(Cl)cc(F)cc1Cl 763548732 VVWWLICZDLYRAS-UHFFFAOYSA-N 275.106 3.703 30 20 CHED C#Cc1cccc(N(C)Cc2ccn(C3CCCC3)n2)c1 763402996 LUEPPFYPJFCDIP-UHFFFAOYSA-N 279.387 3.616 30 20 CHED N#CCc1ccc(C(=O)Nc2cccc3cccnc23)cc1 58242974 PDNUFCNZGZXBNL-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CCC[C@H](C(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1)C(C)C 764655254 JGWVZXZIGRKUTO-STQMWFEESA-N 298.390 3.515 30 20 CHED Cc1c(C#N)cccc1-c1nnc(C2CCCC2)o1 1118138344 STCYCNRTNAERSE-UHFFFAOYSA-N 253.305 3.574 30 20 CHED Cc1ccc(C(C)(C)C(=O)OCCC(C)(C)C#N)cc1 776383242 JHETYNCPYJARMV-UHFFFAOYSA-N 273.376 3.756 30 20 CHED CCC(=NNc1cccc(C)n1)c1cccc(OC)c1OC 872393479 XKZFJGUHMGVCMJ-UHFFFAOYSA-N 299.374 3.633 30 20 CHED Fc1cccc(Cl)c1C=NNc1cc(Cl)ccn1 777907607 XITQCSFLGDGEOR-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CCN(CC)c1ccc(C=NOC2CCCC2)c(O)c1 774602250 GQVVOQXVGVYXIY-UHFFFAOYSA-N 276.380 3.532 30 20 CHED C#CCCCCCC(=O)NC1CC(C)(c2ccccc2)C1 779906724 MAQLBDIRMNCFCS-UHFFFAOYSA-N 283.415 3.807 30 20 CHED CC(=NNC[C@@H](C)C#N)[C@@H](C)c1nc2ccccc2s1 771099371 PQTSOOUSDXIDMX-WDEREUQCSA-N 286.404 3.525 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](c2cccc(F)c2)C1 779904286 CDAIZEPAZOMOMQ-MRXNPFEDSA-N 287.378 3.725 30 20 CHED C=C1CCC(C(=O)N2CCS[C@H]3CCCC[C@H]32)CC1 889433791 JVKGTSOWQVQFOL-CABCVRRESA-N 279.449 3.619 30 20 CHED C[C@@H](Cc1ccco1)Nc1ccc2cc(C#N)ccc2n1 771654949 SZGOGZRMGSCHRP-LBPRGKRZSA-N 277.327 3.743 30 20 CHED CCc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)nc1 883385744 RWTBAOHIFFXWLQ-CYBMUJFWSA-N 281.359 3.547 30 20 CHED Cc1ccc(C2=CCN(c3nccc(C)c3C#N)CC2)cc1 784146602 BASOEWBFKSNIGP-UHFFFAOYSA-N 289.382 3.864 30 20 CHED Clc1ccccc1NN=CC1CCC2(CC1)OCCO2 788698125 PPJYHGZLHWLRLL-UHFFFAOYSA-N 294.782 3.671 30 20 CHED N#Cc1ccc(Oc2cccc3c(C=O)cccc23)nc1 98180925 MTKISNMSDAIDLQ-UHFFFAOYSA-N 274.279 3.711 30 20 CHED C=C1CCN(C(=O)N[C@@H](C)c2cccc(OCC)c2)CC1 892447419 QWNHYPRUKMSSCS-AWEZNQCLSA-N 288.391 3.508 30 20 CHED Cc1cccc2c1CCN(c1ccc(F)cc1C#N)C2 742402460 PEOJSRXXECLRKO-UHFFFAOYSA-N 266.319 3.569 30 20 CHED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1 790101526 ZLFCIZWPFFQFSG-UHFFFAOYSA-N 289.256 3.696 30 20 CHED Fc1cccc(C2CC(=NNc3cccc(F)n3)C2)c1 795009978 RKORRSKLBBVVHO-UHFFFAOYSA-N 273.286 3.705 30 20 CHED C=CCC(F)(F)c1nc(C2(CCOC)CCCC2)no1 896623674 HUHOUGQEMLINJK-UHFFFAOYSA-N 286.322 3.586 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc(F)c1F 189949406 XNDPBMJSAFMGJU-UHFFFAOYSA-N 280.318 3.509 30 20 CHED COc1cc(F)cc(NN=C[C@]2(C)CCCS2)c1 793025396 MVVJCDBSCCDQGJ-ZDUSSCGKSA-N 268.357 3.518 30 20 CHED COCc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cc1 799896738 YGRADGLNRMSXEQ-CMDGGOBGSA-N 270.328 3.939 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CCC=CO1 795815824 DVXHXZXVDAAZDD-SJLPKXTDSA-N 282.387 3.608 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc(C)c(OC)c(Cl)c1 796831853 JPEFQFAVEHODMW-ZDUSSCGKSA-N 297.826 3.900 30 20 CHED COc1cc(C=NNc2cc(C)ccc2C)ccc1C#N 799472190 PUIBKQXORSDHQG-UHFFFAOYSA-N 279.343 3.630 30 20 CHED CCSc1ccc(C(=O)/C=C\c2c(C)cnn2C)cc1 794699063 AJNHJWNNGZCHEX-KTKRTIGZSA-N 286.400 3.737 30 20 CHED CN(CCCCC#N)C[C@H]1CCCCN1Cc1ccccc1 719932150 MXQIHSUGKFAKTI-LJQANCHMSA-N 299.462 3.667 30 20 CHED CCOc1ccc(O)c(C=Nc2cc3c[nH]nc3cc2C)c1 790099410 PAWIJTJEJDOVRN-UHFFFAOYSA-N 295.342 3.726 30 20 CHED CCC(CC)(CC)C(=O)NCc1ccc(C#N)c(F)c1 590885883 RJUFKRQPGIFKFA-UHFFFAOYSA-N 276.355 3.530 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CS1 94473180 CBBFLDAIAPMECN-LDYMZIIASA-N 286.322 3.883 30 20 CHED Cc1csc(-c2ccc(Nc3cncc(C#N)n3)cc2)n1 1162356135 RMEBCLVFFFLIPO-UHFFFAOYSA-N 293.355 3.524 30 20 CHED CCCC1(CNc2ncc(C#N)cc2Cl)CCC1 1559139440 YGROXNQBTYVBHH-UHFFFAOYSA-N 263.772 3.989 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1ccc(F)cc1F 1329605796 KPIMCJMWVKUCIR-NSHDSACASA-N 281.346 3.929 30 20 CHED Cn1ccc(NN=Cc2ccc(C3CCCC3)cc2)n1 1324677039 SKXXDZDYEFOPDA-UHFFFAOYSA-N 268.364 3.524 30 20 CHED C=C[C@H](COC)NC/C(C)=C\c1ccccc1C(F)(F)F 1325185192 PQJXLEMCZHFNMV-FWLQQBITSA-N 299.336 3.899 30 20 CHED CC[C@@H](c1ccncc1)N(CC)C(=O)c1csc(C#N)c1 1324472253 XLTLULGUANRHEP-HNNXBMFYSA-N 299.399 3.628 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1-c1nncn1CC 1334722497 ASQFHAWBAAFTDT-CYBMUJFWSA-N 298.390 3.506 30 20 CHED C=C[C@@](C)(CC)c1nnc(-c2c(C)nc3ccccn23)o1 1330074624 LYWKEBCUBUTVMJ-INIZCTEOSA-N 282.347 3.546 30 20 CHED CN(c1cccc(C#N)n1)[C@H]1CCC[C@@H]1c1ccccc1 1186673220 VVTHFWXIECXPJO-SJORKVTESA-N 277.371 3.726 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(CF)cc1 1337558374 PTGNKFCMKYGUAT-OAHLLOKOSA-N 261.340 3.727 30 20 CHED Cc1cc(NCCc2c(F)cccc2Cl)ncc1C#N 1185666836 GGIIQGWQXOCECV-UHFFFAOYSA-N 289.741 3.709 30 20 CHED Cc1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c(F)c1Cl 1344036546 SMNUZLZBXAETOL-UWVGGRQHSA-N 281.714 3.637 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)nc2ccccc12 1345018418 YQBRZEDXBVSVDN-KBPBESRZSA-N 294.354 3.782 30 20 CHED CC(C)c1ccc([S@](=O)Cc2cccc(C#N)c2)cc1 108065630 NMXVERLORPPMDT-FQEVSTJZSA-N 283.396 3.989 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@H]1C(C)(C)C 1263640437 KHLGRUOSEGNEGI-AWEZNQCLSA-N 271.364 3.519 30 20 CHED CCCCS[C@H](C)C(=O)O[C@H](CC#N)c1ccco1 1350311018 DGVKSQPFCHWRJF-DGCLKSJQSA-N 281.377 3.699 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)c1cc(C#N)ccc1C)C1CC1 1359988176 VZFXUHIGPXWFOS-GXTWGEPZSA-N 284.403 3.906 30 20 CHED COc1cc(C)nc(CNc2ccc(C#N)cc2Cl)c1 219839955 RDUXRGIDRGCONB-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(OCC#N)cc2)C1 217996100 WHNYNHLOTWMBKC-IIAWOOMASA-N 272.392 3.818 30 20 CHED Cc1cc2nc(NC(=O)CC(C)(C)C#N)sc2cc1F 1518469912 WPHVTJHTLCXVFH-UHFFFAOYSA-N 291.351 3.622 30 20 CHED C=C(C)CCC(=O)Nc1c(Cl)ccc2c1CCO2 1518163237 ZKESQEKMSVOEFA-UHFFFAOYSA-N 265.740 3.570 30 20 CHED N#CC[C@H](OC(=O)CCCc1ccsc1)c1ccco1 1520425192 KIZKSMZEVXDXHD-AWEZNQCLSA-N 289.356 3.862 30 20 CHED N#Cc1ccc(F)c(NC(=O)C2(Cc3ccccc3)CC2)c1 1535455748 SGNCFTIOWRYJMW-UHFFFAOYSA-N 294.329 3.659 30 20 CHED N#Cc1cncc(NCC2(c3ccc(Cl)cc3)CCC2)n1 1472682190 IVJNIZROIWYOGZ-UHFFFAOYSA-N 298.777 3.535 30 20 CHED Cc1c(C#N)cccc1NCc1cc2cnccc2o1 1474164230 NOMUTKVUEAUGDC-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=CC[C@@H](C)NCc1ccc(OC(C)C)c(OC)c1 116927099 BYNJHRBKERFOET-CYBMUJFWSA-N 263.381 3.537 30 20 CHED Cc1cc(C)c2c(c1)CCN(Cc1cccc(F)c1C#N)C2 1474759693 AHZAYBZFYNXMQY-UHFFFAOYSA-N 294.373 3.873 30 20 CHED Cc1c(C#N)cccc1NCc1cc2ccccc2n1C 1620954847 IVZXFCOYPYKUIU-UHFFFAOYSA-N 275.355 3.971 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1ccc(C#N)cc1F 1557530409 QYZSZMQQQLLRKC-UHFFFAOYSA-N 297.333 3.770 30 20 CHED CC1(C)C(Nc2nc(C#N)c(Cl)s2)C1(C)C 1639586628 LZYDKYMXEMYMTH-UHFFFAOYSA-N 255.774 3.515 30 20 CHED CCc1ccc2c(c1)CCN2c1c(C#N)cccc1C#N 1643298656 SYCUHTFTZIWQIU-UHFFFAOYSA-N 273.339 3.687 30 20 CHED Cc1cccc(CN(CCC#N)C(C)C)c1Br 1658940134 RJEXGAPJBXPHRL-UHFFFAOYSA-N 295.224 3.882 30 20 CHED C=CCC[C@@H](NCc1ccc([C@@H](C)CC)cc1)C(=O)O 1776168528 HYAXIGJGIJFLLQ-XJKSGUPXSA-N 275.392 3.709 30 20 CHED C=CCCCN(C)[C@@H](C(=O)O)c1cccc2ccccc12 1776174049 VMGGQQJOMKUWMU-QGZVFWFLSA-N 283.371 3.864 30 20 CHED C=CC[C@H](CNc1nc(C)ccc1C(=O)O)c1ccccc1 1776151970 TZOPTILGELZRHK-OAHLLOKOSA-N 296.370 3.860 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 161118579 ZMWHGHKVSABUOL-OLZOCXBDSA-N 284.186 3.789 30 20 CHED CCCCCCCC(=O)N[C@@H](C)C[C@H](O)c1ccccc1 161727874 KKJGAVAJSRSDLU-RDJZCZTQSA-N 291.435 3.975 30 20 CHED CC(C)c1cc(C(=O)O[C@H](C)CC#N)c2ccccc2n1 162296003 YYQBSCHFUFZYHH-GFCCVEGCSA-N 282.343 3.817 30 20 CHED C=CCC[C@H](CCC)NC[C@](C)(O)c1ccccc1 169171794 ABDRNMNUYGRDNH-IRXDYDNUSA-N 261.409 3.619 30 20 CHED COc1ccc(O)c(/C=N/C[C@H](C)c2ccccc2)c1 5290294 DPERTFFJJXRRAL-HTMJNSLASA-N 269.344 3.623 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccc(C)c(C)c1 151966334 PCBNDCBYBHXTEZ-CYBMUJFWSA-N 263.406 3.940 30 20 CHED C=CCOc1ccc(CNC2CC=CC2)cc1Cl 151974816 UUFKHFFKKNWZLE-UHFFFAOYSA-N 263.768 3.713 30 20 CHED N#Cc1ccc(CN(Cc2ccccc2)C2CC2)s1 125430539 WFACTNPAVXVVOR-UHFFFAOYSA-N 268.385 3.784 30 20 CHED CC(C)(C)C1=CCN(C(=O)C2(C#N)CCCCC2)CC1 160964193 DASAUMIKRSWVBH-UHFFFAOYSA-N 274.408 3.665 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)C1CCCCC1 37316690 JOACNISZDQWDJV-NSHDSACASA-N 273.336 3.847 30 20 CHED N#Cc1c(Cl)cccc1NC[C@H]1Cc2ccccc2O1 47848175 RREPMJXIOZJBJU-GFCCVEGCSA-N 284.746 3.627 30 20 CHED CCCC1CCC(NC(=O)c2cccc(C#N)c2)CC1 48769677 XWYJRVNEGCWCRZ-UHFFFAOYSA-N 270.376 3.647 30 20 CHED COc1ccc(CN(C)c2cccc(Cl)c2C#N)cc1 48936756 QFWGGJBKPNLZIO-UHFFFAOYSA-N 286.762 3.857 30 20 CHED N#CCc1ccc(NCc2cc(F)c(F)cc2F)cc1 185154304 WPQZTGHSXASAEQ-UHFFFAOYSA-N 276.261 3.782 30 20 CHED CS[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc(C#N)c1 300413226 ZHVXRKLWEUIDOR-DAXOMENPSA-N 274.433 3.883 30 20 CHED C=CCCC[C@H](C)NCc1ccc(Br)o1 308839302 JKWOTGDOXSGMKB-JTQLQIEISA-N 272.186 3.877 30 20 CHED C[C@H](CCC#N)N1CCC(Cc2ccccc2)CC1 351634235 QGIJDTHWXAIFKP-OAHLLOKOSA-N 256.393 3.633 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCc1ccc(C#N)cc1 308085538 GPJXJOPLEXJKRC-MRXNPFEDSA-N 272.392 3.637 30 20 CHED C#CCCNc1cc(Cl)cc(Br)c1OC 309079732 NXYKFGKOPFNCQX-UHFFFAOYSA-N 288.572 3.546 30 20 CHED CC(=O)c1ccc(C#N)cc1N(C)Cc1sccc1C 338644747 WLPSXJYJQRSZFC-UHFFFAOYSA-N 284.384 3.767 30 20 CHED CCCCCCCCCCCC(=O)N1C[C@@H](O)C[C@@H]1C 385087435 INDRPIYMPZDCDG-HOTGVXAUSA-N 283.456 3.889 30 20 CHED C[C@H](Cc1ccccc1F)Nc1cc(F)cc(C#N)c1 718619272 RWQRJRAFNMNGGS-LLVKDONJSA-N 272.298 3.880 30 20 CHED C=CCCOC(=O)CCc1ccc(C)c(Cl)c1 729073268 LOAWUHXLQMMSNW-UHFFFAOYSA-N 252.741 3.700 30 20 CHED CC(CCOCc1ccccc1)=NOCC(F)(F)F 872358675 WQTLLKSQSVRBOQ-UHFFFAOYSA-N 275.270 3.548 30 20 CHED CCC[C@H](C(=O)N1CCc2cc(C#N)ccc21)C(C)C 416019586 YESOYRLOBBUIKT-HNNXBMFYSA-N 270.376 3.520 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC[C@@H]1CC[C@H](C)O1 175003158 QJRPDLNPQWZXGH-KBPBESRZSA-N 293.432 3.610 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1sccc1C#N 52029014 DZZQTPDUTWBWCA-UHFFFAOYSA-N 288.397 3.510 30 20 CHED C=CCN(C(=O)Cn1ccc2ccccc21)c1ccccc1 58090986 IEOBHMFGIYZWHD-UHFFFAOYSA-N 290.366 3.861 30 20 CHED CCCCCCCC(=O)NCc1nc(C)c(C)s1 175313426 SDFIPIXSTSWAEC-UHFFFAOYSA-N 268.426 3.737 30 20 CHED C#CCCCNC(=O)Nc1cc(Cl)c(C)cc1Cl 178888354 WGJCJWZYSJVJBS-UHFFFAOYSA-N 285.174 3.837 30 20 CHED N#Cc1cccc(C#N)c1NCCc1ccc(Cl)s1 302768343 ATTYASADIWXREA-UHFFFAOYSA-N 287.775 3.799 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)C(C)C 171929840 KJOHJLWCKCXCHJ-LBPRGKRZSA-N 274.364 3.576 30 20 CHED CC(C)[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1 27635654 JHSUBCQEKJJERS-SFHVURJKSA-N 292.382 3.728 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C)n(Cc2ccccc2)c1C 116852435 QTCQMLCTFHREJW-AWEZNQCLSA-N 296.414 3.848 30 20 CHED CC(C)c1cccc(NC(=O)NCCCCC#N)c1 171362542 LOAWZODPHWGMHX-UHFFFAOYSA-N 259.353 3.625 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@@H]1C1CC1 176545102 CQFRWTKBDKETOZ-OLZOCXBDSA-N 295.835 3.962 30 20 CHED CO[C@@H](CNc1c(C#N)cnc2ccccc12)C(C)(C)C 301410467 ACSJFXOIDRFJMR-HNNXBMFYSA-N 283.375 3.579 30 20 CHED CC(C)(C#N)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 42127845 RFGUYRMQXOGGCR-LLVKDONJSA-N 294.807 3.543 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(C(F)(F)F)c1 61889436 LIQIEOJGCTUAMR-SKDRFNHKSA-N 297.280 3.519 30 20 CHED CC(C)CC(C)(C)C(=O)N(C)Cc1cccc(C#N)c1 177113377 HUERJZDQORZIRE-UHFFFAOYSA-N 272.392 3.589 30 20 CHED N#Cc1nc(NC[C@@H]2CCOc3ccccc32)ccc1Cl 301179284 OQIMIKWTMJDJIT-NSHDSACASA-N 299.761 3.585 30 20 CHED CC(C)[C@@H]1OCCC[C@@H]1CNc1c(F)cc(C#N)cc1F 301587350 PLHRIDGHEBHGEP-WBMJQRKESA-N 294.345 3.700 30 20 CHED C=CCCCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 176555833 AWHMVBHTJJOHQT-CYBMUJFWSA-N 297.383 3.738 30 20 CHED O=C(/C=C/c1ccc(Br)s1)c1ccco1 118994393 NHZSJJKLKIEFJX-HWKANZROSA-N 283.146 4.000 30 20 CHED CC(C)C[C@@H](C)CC(=O)O[C@@H](CC#N)c1ccco1 1350311348 JOHVTNCZSSJRIO-OCCSQVGLSA-N 263.337 3.850 30 20 CHED CCCC[C@@H](C)N(C)C(=O)[C@@H](CC#N)c1ccccc1 1274864016 YQMJFHQTEUHCFX-ZBFHGGJFSA-N 272.392 3.721 30 20 CHED Cc1cccc(CC(=O)[C@H](C#N)c2nc3ccccc3o2)c1 170673457 GLKXYKDOCUWRTD-AWEZNQCLSA-N 290.322 3.555 30 20 CHED C=CCCCCNC(=O)C(C)(C)COCc1ccccc1 409955388 IGOXZDGUODOMGQ-UHFFFAOYSA-N 289.419 3.702 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CCC[C@H](C)C2)c1 302114965 RCCBXMONUARKEF-XHDPSFHLSA-N 256.349 3.751 30 20 CHED COc1ccccc1C[C@@H](Nc1cccc(C#N)n1)C(C)C 301872018 WYWUDBVDKYXUPO-MRXNPFEDSA-N 295.386 3.641 30 20 CHED N#Cc1nc(N[C@@H]2CCc3ccccc32)ccc1Cl 67348361 IBUNILXXDFNGHN-CYBMUJFWSA-N 269.735 3.706 30 20 CHED C/C(=N\OCCCCCCO)c1cc2ccccc2o1 179255106 UEKOQWXRIWSDLL-GHRIWEEISA-N 275.348 3.726 30 20 CHED CCc1c(C)sc(NC(=O)Cc2cccc(C)c2)c1C#N 68677176 PCHBJWXPYSHKQW-UHFFFAOYSA-N 298.411 3.980 30 20 CHED C=CCN(C)Cc1nc2ccccc2c(C)c1Cl 121468122 GOJSCXPVHDSPLQ-UHFFFAOYSA-N 260.768 3.814 30 20 CHED N#Cc1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1 301153239 FCSFMLBTLZLICI-UHFFFAOYSA-N 274.327 3.560 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cc2c(s1)CCCC2 321447727 NNSVGUDQDXMOLB-TZMCWYRMSA-N 279.449 3.605 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1c(C)noc1C1CC1 129236163 SFCIVJUNLYOXFJ-SNVBAGLBSA-N 277.368 3.727 30 20 CHED Cc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1[N+](=O)[O-] 188358326 STDSZXIDQMHRPV-GFCCVEGCSA-N 281.315 3.948 30 20 CHED CCc1nc([C@H](C)NCCCC(C)(C)C#N)cs1 184677540 URFXNEVSVGKUKJ-NSHDSACASA-N 265.426 3.686 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 76083495 NVLARVNGIWKRCJ-HOCLYGCPSA-N 285.391 3.843 30 20 CHED C=CCN(CCOC)c1ccnc2cc(Cl)ccc12 302732673 URXFPGPQNATAIW-UHFFFAOYSA-N 276.767 3.527 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CC1 188810966 LUFOWZZKCCZBHX-ZYHUDNBSSA-N 292.329 3.535 30 20 CHED C/C(=C/C(=O)Nc1ccc(F)cc1OCC#N)C(C)(C)C 120256438 YOYUIYZBEMLRKB-LUAWRHEFSA-N 290.338 3.659 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)CC2 316819737 JKHJAJBAJAYCDU-KRWDZBQOSA-N 293.326 3.874 30 20 CHED N#Cc1ccc(CN2CCc3c(Cl)cccc3C2)s1 123829219 WZHSENCDCLNNPJ-UHFFFAOYSA-N 288.803 3.831 30 20 CHED Cc1cc(C(=O)COc2ccc(C#N)c(C)c2)c(C)s1 434643739 DACBWYLWWMGBEW-UHFFFAOYSA-N 285.368 3.807 30 20 CHED C=CCCCCCN(C)Cc1nc(C(C)(C)C)no1 150897167 LVFHNBWCULUXFW-UHFFFAOYSA-N 265.401 3.545 30 20 CHED CC(C)C(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 411042310 LJOOEMYIQCGVMF-UHFFFAOYSA-N 284.359 3.548 30 20 CHED C=C(C)CN(C)[C@@H](C)C(=O)Nc1cccc2ccccc12 181247169 MFDZMOYJKWUREZ-AWEZNQCLSA-N 282.387 3.675 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](C)Cc1cccc(Cl)c1 120228490 NIADGUZOTSLUEE-QWHCGFSZSA-N 292.810 3.527 30 20 CHED CC1(C)CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 443144773 HACCRMIYLJQHTI-CQSZACIVSA-N 271.364 3.649 30 20 CHED COCC[C@@H]1CCC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 417355614 AYOLFOBQCVMJEB-KFKAGJAMSA-N 298.430 3.730 30 20 CHED COc1ccc(C#N)cc1CN(C1CC1)[C@H](C)c1ccco1 128048202 OXOGINODILKPGN-CYBMUJFWSA-N 296.370 3.885 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc4c(c3)CCC4)no2)cc1 319051867 DMKRLULYBLCXTF-UHFFFAOYSA-N 287.322 3.764 30 20 CHED O=C(/C=C\c1ccc(O)cc1)c1ccc(F)c(F)c1 211151372 ZNYNYBDLZHOESR-BAQGIRSFSA-N 260.239 3.567 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1csc(Cl)c1 414161305 FEFTVNPMQSDUMX-VIFPVBQESA-N 256.802 3.992 30 20 CHED C=C[C@@H](C)N[C@H](C)c1sccc1Br 157251257 PIDHDZFMUPKAGG-HTQZYQBOSA-N 260.200 3.736 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(F)cc1Cl 122217189 LBWZGENRHNMWGE-VIFPVBQESA-N 254.736 3.679 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)/C=C/c2ccc[nH]2)CC1 188859633 CHWXNLUWIQUZKD-VOTSOKGWSA-N 299.418 3.643 30 20 CHED CO[C@@](C)(C1CC1)[C@H](C)NCCC1(C#N)CCCCC1 411979505 ZYQRMYIUHUGOHH-GOEBONIOSA-N 278.440 3.644 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(OCC2CC2)cc1 504721574 QFDCKRPZZFOUPH-UTCJRWHESA-N 276.339 3.912 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N1CCCC(C)(C)[C@@H]1C#N 451202731 NYHZHEILPDKDCK-MNOVXSKESA-N 290.329 3.506 30 20 CHED N#CC1(CN(Cc2cccc(F)c2)C2CCCC2)CC1 501543003 SPCPJTXEWWXKCM-UHFFFAOYSA-N 272.367 3.874 30 20 CHED CC(C)(CC#N)CNc1ncc(Cl)cc1Cl 413404044 HTGWUGMZOKVBAN-UHFFFAOYSA-N 258.152 3.740 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(F)cc2F)c1 184768424 VFMULXNSENGVRQ-HWKANZROSA-N 259.255 3.564 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn(-c2ccccc2F)c1 188504802 XVAABBRKKOBGDE-INIZCTEOSA-N 287.338 3.552 30 20 CHED C=CCN(CC=C)C(=O)CS[C@@H](C)c1cccs1 133955579 PARIHIBIUHLFMW-LBPRGKRZSA-N 281.446 3.743 30 20 CHED N#Cc1cccc(NCc2ncccc2C(F)(F)F)c1 132871535 WATSBMOKTAJJLK-UHFFFAOYSA-N 277.249 3.584 30 20 CHED N#CCc1ccc(CSC[C@@H]2C[C@H]3CC[C@H]2O3)cc1 419564028 MUZIEANDHVOZER-ARFHVFGLSA-N 273.401 3.553 30 20 CHED N#Cc1ccc(N/C(O)=N/C2CCC3(CC2)CC3)cc1F 329437713 AIOGOQYRPAIZER-UHFFFAOYSA-N 287.338 3.746 30 20 CHED Cc1nccc(N/C(O)=N/[C@H]2CCCCC23CCCC3)n1 329598161 CZJSVUXSONHHQJ-ZDUSSCGKSA-N 288.395 3.614 30 20 CHED C[C@H]1CC(C)(C)CN1c1ccc(C(F)(F)F)c(C#N)n1 413561031 MHXOLCFLNCTBCI-VIFPVBQESA-N 283.297 3.597 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1ccc2ccccc2c1 410120155 SRWFTEGCVCCNGS-KRWDZBQOSA-N 267.372 3.853 30 20 CHED C#CCCCCNC(=O)Nc1ccc2ccccc2c1 134030241 BGKKXPFXRIHSRW-UHFFFAOYSA-N 266.344 3.765 30 20 CHED N#CCC[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 130605248 QKZYTUWEWWJLSU-LEUOFYLZSA-N 266.388 3.833 30 20 CHED Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2Cl)c1 49882723 ZUGPJHOYZYIFIM-OAHLLOKOSA-N 284.746 3.643 30 20 CHED CCCCCC[C@H](C)NC(=O)c1ccccc1OCC#N 194115881 BQWKTFLQQHAHQD-AWEZNQCLSA-N 288.391 3.678 30 20 CHED N#CCc1ccc(C(=O)Nc2cc(F)cc(Cl)c2)cc1 89421611 DYSXXWOXSSUPBC-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CCCC[C@H]1C(F)(F)F 329573502 VDXZRIHSRWHSQX-NXEZZACHSA-N 287.285 3.742 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)Cc1cccc(Cl)c1Cl 193966719 FLNAAHHNBYDDKJ-AWEZNQCLSA-N 299.201 3.590 30 20 CHED C=CCC[C@@H](O)CN1CC[C@@](F)(c2cccc(Cl)c2)C1 515313395 BUCQDBZVKUYZHK-CVEARBPZSA-N 297.801 3.538 30 20 CHED C[C@H](/N=C(/O)N[C@@H]1CCCCC12CCCC2)[C@@H]1CCCO1 329634248 SZNOPJAIEWSNBE-SOUVJXGZSA-N 294.439 3.561 30 20 CHED N#Cc1ccccc1OCCCOCc1ccccc1 34674880 ATSQHFFSODIPBK-UHFFFAOYSA-N 267.328 3.544 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCCC1CCOCC1 425366000 NUZQXWDYHFUTFG-HNNXBMFYSA-N 286.419 3.758 30 20 CHED C=C(Br)CN[C@@H](C)c1ccccc1Cl 49508747 QRIQYEMQQLLLQK-VIFPVBQESA-N 274.589 3.899 30 20 CHED CCCc1ccccc1NC(=O)c1ccccc1OCC#N 194189336 AABSGGRVWXXQAF-UHFFFAOYSA-N 294.354 3.794 30 20 CHED N#Cc1ccc(CNCC2(c3cccc(F)c3)CC2)cc1F 421364110 NMFHVJFJJGDRRA-UHFFFAOYSA-N 298.336 3.658 30 20 CHED N#CCCCCNCc1cnc(C2CCCCC2)s1 84021378 YFECQQGNYQOBTO-UHFFFAOYSA-N 277.437 3.974 30 20 CHED N#CCc1ccccc1NC(=O)Cc1ccccc1Cl 339167882 IUJYTUUGSFKWSF-UHFFFAOYSA-N 284.746 3.587 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@@H](SC)C(C)(C)C 426220919 VHRQSSRYVDCFFG-QWHCGFSZSA-N 284.469 3.514 30 20 CHED C=CCC1(C(=O)NC23CC4CC(CC(C4)C2)C3)CCC1 191829835 NHDJMIXGYDLVFR-UHFFFAOYSA-N 273.420 3.818 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C(C)(C)C)oc2ccc(F)cc12 85430997 PVIRNQMAKBTGNR-CYBMUJFWSA-N 288.322 3.548 30 20 CHED N#Cc1csc(CNc2ccccc2Br)c1 86573557 NKHWMEHRTPLCNA-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C#CCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1 85296957 WYBWQZJKVXRYMW-UHFFFAOYSA-N 299.757 3.913 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cccc2c1CCCN2 423418551 UUQPYIASKFSGPS-ZIAGYGMSSA-N 258.409 3.735 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCc1ccccc1 425122467 CTMXFKZPNJUGEN-OAHLLOKOSA-N 292.382 3.710 30 20 CHED CCCCn1ncc(/C(O)=N/C2(C#N)CCCCC2)c1C 330482809 SNBYWAYBSWNOIK-UHFFFAOYSA-N 288.395 3.523 30 20 CHED CC1(NC(O)=Nc2ccc(C(F)(F)F)nc2)CCCC1 330529738 LYKODPQDYSRPBE-UHFFFAOYSA-N 287.285 3.568 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 336528447 BHFWXQHUIBFGTH-IEBWSBKVSA-N 294.398 3.610 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1C[C@H](C)O[C@@H](C)C1 94131980 QHCXXDDWKDVACV-GJZGRUSLSA-N 293.451 3.785 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(-c2ccccn2)ccc1Cl 339019068 QCDIEYUFYVXCFW-LLVKDONJSA-N 286.762 3.706 30 20 CHED CC1(CC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)CC1 428787269 JWNXAQQSSFVGCP-LLVKDONJSA-N 297.185 3.864 30 20 CHED N#CC1(NC(=O)Cc2cccc(C(F)F)c2)CCCCC1 330987868 RWRIBOBXJWHJCA-UHFFFAOYSA-N 292.329 3.509 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nc(CCC3CC3)no2)c1 516752000 IUUSVHOOFUUDBH-LSDHHAIUSA-N 279.343 3.555 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1C#N 338352879 JDMSYSWNRVNMSV-CQSZACIVSA-N 275.355 3.589 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C)(C)[C@@H]1C1CC1 336526699 VDLWRSRVFHBTKI-HNNXBMFYSA-N 283.375 3.519 30 20 CHED CCc1nsc(Nc2cccc(OCCCC#N)c2)n1 92620377 KQHRBSPLKIYDIG-UHFFFAOYSA-N 288.376 3.527 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N2CCc3ccc(C#N)cc32)C1 339813948 QXSUOIJFJNJLAP-KGLIPLIRSA-N 282.387 3.664 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)C1 334388563 QUUKYYYYHGFWIU-RHSMWYFYSA-N 254.377 3.558 30 20 CHED Cc1ncc(-c2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2)o1 336353062 PPGCXPUHZXXPHH-IUODEOHRSA-N 267.332 3.754 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(c2ccnc(C#N)c2)C2CC2)o1 339975084 YLTOJBYOEWLNMI-SJKOYZFVSA-N 293.370 3.839 30 20 CHED CC[C@H](C)[C@@H](C)N(CCCC1(C#N)CCOCC1)C1CC1 337127635 HALWUBHTLYZYHT-JKSUJKDBSA-N 292.467 3.986 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 431051307 PABGECCUDKUQDC-ZWKOTPCHSA-N 294.398 3.913 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCC(C)(C)C1 337999586 SOVVTTVCBCQETD-AWEZNQCLSA-N 270.376 3.517 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 437361380 ZHHQKOBQMGLKST-OWRWGESLSA-N 297.320 3.678 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C#N)cc1 437643181 BEZQSEDQXDKYKV-CJNGLKHVSA-N 285.391 3.991 30 20 CHED CCCCOC1CCN(c2cc(Cl)ccc2C#N)CC1 439347848 IWYAOUBOJCCUIH-UHFFFAOYSA-N 292.810 3.997 30 20 CHED CC(C)c1ccccc1OCCNc1cnccc1C#N 94158119 PANDHHPTMQUJMS-UHFFFAOYSA-N 281.359 3.568 30 20 CHED CC1(NC(O)=Nc2ccc([N+](=O)[O-])cc2F)CCCCC1 330833642 HOAPNVXXLBGASY-UHFFFAOYSA-N 295.314 3.592 30 20 CHED COc1cccc([C@H](C)/N=C(/O)N[C@@H]2CCC[C@@H](C)C2)c1 330472364 YIZKZSDKBYWGDY-VNHYZAJKSA-N 290.407 3.839 30 20 CHED C[C@H](C(=O)N1Cc2ccccc2[C@H]1C)c1cccc(C#N)c1 335707296 YKGXZYOPIGQDGB-UONOGXRCSA-N 290.366 3.765 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 527326217 ICCOAFHBWZSNNR-JJRVBVJISA-N 281.440 3.546 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 341475667 YBJDJFDSXJQKQX-SMDDNHRTSA-N 262.740 3.586 30 20 CHED CC1(C)C[C@H](NC(=O)c2cccc(C#N)c2)c2ccccc21 431870550 IZOSBLKOWZJRNZ-KRWDZBQOSA-N 290.366 3.711 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(F)c(C#N)c1 341396040 BIAZPPYXNVYFOP-BLLLJJGKSA-N 288.366 3.738 30 20 CHED CC(=O)Nc1cc(NCc2ccc(CC#N)cc2)ccc1C 342433875 VMPXAUKLPSQMKS-UHFFFAOYSA-N 293.370 3.632 30 20 CHED CN(CCSCc1ccc(C#N)cc1)Cc1ccccc1 433029495 SGBJFWMJIJWUHK-UHFFFAOYSA-N 296.439 3.923 30 20 CHED Cc1ccnc(N[C@@H]2CSc3ccccc32)c1C#N 343430621 DJFULNMNZTZTHM-CYBMUJFWSA-N 267.357 3.521 30 20 CHED N#Cc1ccnc(NCC2(c3ccccc3Cl)CC2)c1 342733655 XSSMVBMGHLJGCE-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CC1(C)CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 608892300 XYVZLZVOQQTRPC-UHFFFAOYSA-N 291.782 3.866 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(CCC#N)Cc1ccco1 341527527 KSTHHVFCXCKCDZ-CYBMUJFWSA-N 276.380 3.594 30 20 CHED CCCN(CCCC#N)Cc1c(F)cccc1Cl 346660173 UBJXYAKIWGOZRO-UHFFFAOYSA-N 268.763 3.995 30 20 CHED COC[C@H](NC[C@H](C)CCC#N)c1ccc(Cl)cc1 602641940 VWTJUNFOPJENDJ-DOMZBBRYSA-N 280.799 3.557 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1cc(C#N)cc(C)n1 341750965 KLGRAVFZDSRJNX-INIZCTEOSA-N 263.344 3.670 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1ccc(C)cc1 254762231 MRJCJGZEDZAIIE-UHFFFAOYSA-N 264.332 3.707 30 20 CHED C=C(C)C[C@H](C)C(=O)NCC1(c2ccncc2)CCCC1 344537884 NNPCOLBJXOSJPY-HNNXBMFYSA-N 286.419 3.612 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 345752485 AOKFNIKKZIMIEG-QAPCUYQASA-N 292.382 3.636 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2c[nH]c3ccccc23)cn1 255882508 JUPIYFCTGMSUPT-FPLPWBNLSA-N 279.343 3.841 30 20 CHED Cc1nsc(N[C@H]2C[C@@H]2c2cccc(Cl)c2)c1C#N 343045850 ORBVJHUVVWJDMU-YPMHNXCESA-N 289.791 3.945 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CCCC1CCCCC1 608821115 NOUPOQZCWUEZNB-HNNXBMFYSA-N 264.413 3.791 30 20 CHED CO[C@](C)(CNC1CCC(C)(C#N)CC1)c1ccccc1 449482569 CEOHZNLZIKHMTE-DAWZGUTISA-N 286.419 3.610 30 20 CHED COC(=O)c1c[nH]c2cc(NCC(C)(C)CCC#N)ccc12 600193250 MHTVOWRHUGWICX-UHFFFAOYSA-N 299.374 3.696 30 20 CHED Cc1cc(S[C@H](C#N)C2CC2)nc2ccccc12 601070125 PTCYWBNLAYQWMB-CQSZACIVSA-N 254.358 3.938 30 20 CHED Cc1occc1-c1noc(/C=C/c2ccccc2C#N)n1 354049793 RDMIVXKDZBSBAB-VOTSOKGWSA-N 277.283 3.680 30 20 CHED C=CCn1c(SC[C@H](F)CC)nnc1-c1ccoc1C 440565686 AXIBHXGMHPTNMC-LLVKDONJSA-N 295.383 3.873 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N(C)CC#N 351956101 AEHQBKWFANWHJT-UUCFBXCCSA-N 276.424 3.601 30 20 CHED CCc1ccc(C(C)(C)CN[C@@H]2CC[C@@H](C#N)C2)cc1 442799206 ZQZMVICJFKMBJJ-NVXWUHKLSA-N 270.420 3.808 30 20 CHED C=CCOCCCSCc1noc(-c2cccs2)n1 359130373 LQFUUXSCUBVPDA-UHFFFAOYSA-N 296.417 3.624 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccccc2OCC2CC2)C1 442852253 HEFZKGRXNDOYSD-ZIAGYGMSSA-N 256.349 3.580 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N(C)c2cccc(C#N)c2)CC1 533118138 YTWUHVHBOJLJGO-WKILWMFISA-N 284.403 3.983 30 20 CHED C=CCCO[C@H](C)C(=O)NC1CCC(CC)(CC)CC1 355826598 BTATXNBGIUZMKM-CQSZACIVSA-N 281.440 3.833 30 20 CHED C=CCCCC[C@@H](C)NC[C@H]1CCCN(C(C)C)C1 449130232 GBMHKXKPDSUAAJ-IAGOWNOFSA-N 266.473 3.831 30 20 CHED C[C@@H](CNCC(C)(C)CCC#N)c1cc(F)cc(F)c1 449334465 XLOURCNNQALQMG-LBPRGKRZSA-N 280.362 3.988 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 613281572 PGGNKQFIQVTUHG-SJORKVTESA-N 293.326 3.609 30 20 CHED C=CCCCCCN(C)Cc1cc(OC)cc(C)n1 534545375 VPUQZGREAHFBJE-UHFFFAOYSA-N 262.397 3.577 30 20 CHED CC[C@@](C)(OC)c1noc(C[C@H](CC#N)c2ccccc2)n1 350460546 YGUZTUGPRTWKOM-WMLDXEAASA-N 299.374 3.581 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCc1ccc(F)cc1 611390048 RRIQEAKYYAUDNE-LJQANCHMSA-N 294.373 3.907 30 20 CHED CSc1ccc(/C=C\c2nc(C(=O)O)ccc2C#N)cc1 357562489 AGAOGCASVLOGJJ-YWEYNIOJSA-N 296.351 3.544 30 20 CHED Cc1cccc2c(N3C[C@H](C)S[C@H](C)C3)c(C#N)cnc12 610282814 QUFWABCOHUDIFS-BETUJISGSA-N 297.427 3.745 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)[C@H]2CC23CCC3)cc1 610739031 XWFMAPHEMBOUIB-MRXNPFEDSA-N 298.386 3.522 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)N1CCC[C@@](C)(C#N)C1 612244836 IDAQANYFLVSAJW-PBHICJAKSA-N 276.424 3.745 30 20 CHED C=C(CC)CN1CCN(CC(=C)CC)[C@H]([C@H](C)CC)C1 539118497 KRKXENFMKAGSFD-MSOLQXFVSA-N 278.484 3.951 30 20 CHED C=CCC1(NC(=O)[C@@H](CCC)c2ccccn2)CCCC1 619110948 RWYUPWITUKJJHX-HNNXBMFYSA-N 286.419 3.970 30 20 CHED COC[C@H](NCc1ccc(C#N)c(Cl)c1)C1CCCC1 619755219 CUZJLVLTNMFWRP-INIZCTEOSA-N 292.810 3.506 30 20 CHED C[C@H](CCC#N)CN1CCN(C2CC2)c2ccc(F)cc21 618887489 AMJFBYYACBEWCQ-CYBMUJFWSA-N 287.382 3.554 30 20 CHED N#C[C@@H]1CC[C@@H](NC2(Cc3cccc(Cl)c3)CC2)C1 453364165 LRGJNZKJRSYPNO-UKRRQHHQSA-N 274.795 3.697 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1ccccc1)CC(F)F 458988384 NREQFXONUNKGRY-UHFFFAOYSA-N 296.361 3.676 30 20 CHED C=CCC[C@@H](C(=O)N1CC(CC)C1)c1ccccc1 457280890 RRPWTVAOJOVRDI-MRXNPFEDSA-N 257.377 3.605 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 455319592 ZXXNCAGSKLYVJB-XJKSGUPXSA-N 290.382 3.884 30 20 CHED CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)C1CCCC1 610406613 GNXZXYIYMNTORP-ZDUSSCGKSA-N 285.391 3.593 30 20 CHED CC1(C)C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CCO1 613427752 NOAWUWYRMOKVPE-CYBMUJFWSA-N 287.407 3.620 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 451680961 MZJWUQCCDJISQG-LZQZEXGQSA-N 296.414 3.507 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3cc(C#N)ccc32)cc1 618694506 MEHZCQGNUMTCSV-QGZVFWFLSA-N 259.312 3.529 30 20 CHED C=C(C)CCNC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 452716655 IVCBJUDLQKAXGZ-GFCCVEGCSA-N 293.794 3.631 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3cnco3)cc2)C1 617785658 MSMNOZSRPDOFKN-CQSZACIVSA-N 296.370 3.770 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](c2ccc(F)cc2)C2CCC2)C1 278642892 PDOCARYXORGKHP-DQYPLSBCSA-N 272.367 3.949 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)NCC1CCC(C(C)(C)C)CC1 450147282 MZTQOAXHQKIWHS-WNZJFKNXSA-N 276.424 3.505 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1c1cccc(C#N)n1 450605400 ZHJPFMWWKAXYSO-JKIFEVAISA-N 277.371 3.724 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CCCCC1 456372501 UPAKXHMUGUEFGY-SOUVJXGZSA-N 261.409 3.818 30 20 CHED C=CCN(C(=O)Nc1cccc(OCC(=C)C)c1)C1CC1 271591351 TZMMQWIIIFFHOA-UHFFFAOYSA-N 286.375 3.824 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1CCCCC12CCCC2 366138709 NZYAZIGKMMKBSY-CYBMUJFWSA-N 262.397 3.545 30 20 CHED C=CCCc1noc(-c2ccc(C(C)C)cc2O)n1 453239790 SWXFGMHCENWFDI-UHFFFAOYSA-N 258.321 3.684 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)CCCC1 450309441 SZAXZCSERYFJCF-LSDHHAIUSA-N 293.451 3.833 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2[nH]ccc2C2CC2)cc1 457413034 AJFDVJSVNFOORX-UHFFFAOYSA-N 293.370 3.946 30 20 CHED CCC[C@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 541979120 OKKDCPYDGZWDMO-KRWDZBQOSA-N 284.403 3.723 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 452717343 KWIYTZDFABDHCI-LBPRGKRZSA-N 265.784 3.601 30 20 CHED Cc1csc([C@H](C)CNc2ccc(F)cc2C#N)n1 273305302 MHYHSGFNTMXDMK-SECBINFHSA-N 275.352 3.678 30 20 CHED CCOC1CC(CCNc2c(C#N)cnc3ccccc23)C1 276430066 BCDCWCGODBJVQK-UHFFFAOYSA-N 295.386 3.724 30 20 CHED C=CCC1(NC(=O)[C@@H]2OCCc3ccccc32)CCCCC1 456364489 JUNOBKVBGPZEML-QGZVFWFLSA-N 299.414 3.696 30 20 CHED C=CCC1(CNC(=O)c2scnc2CC)CCCC1 456482265 DPYHSXMAXIPGBU-UHFFFAOYSA-N 278.421 3.572 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)C1(c2cccc(C#N)c2)CC1 457243574 YHBWMCQPWONXNB-ZDUSSCGKSA-N 284.403 3.531 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(F)c(F)c1 540544668 WAXFLKMGFBEWCA-JTQLQIEISA-N 268.307 3.831 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 454900744 LLAJGCJEIJIPMN-HOCLYGCPSA-N 290.382 3.727 30 20 CHED N#C[C@H]1CCC[C@H](NCc2coc3ccccc23)C1 278780750 PSVQOHYCORINKA-JSGCOSHPSA-N 254.333 3.605 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 541598394 MDIZOWSBNVDXIJ-CQSZACIVSA-N 290.794 3.910 30 20 CHED C=CC[C@@H](C(=O)NCC(C)(C)C=C)c1ccccc1 452775744 PFNGFRLUZQCRLS-OAHLLOKOSA-N 257.377 3.675 30 20 CHED C=CCC1(NC(=O)Cc2ccc(OC)cc2)CCCCC1 456386347 SVNHMJIXUQGNSL-UHFFFAOYSA-N 287.403 3.633 30 20 CHED C=CCN(C(=O)c1ccnn1C(CC)CC)C(C)(C)C 622944475 UOFOXPUUCZVSSK-UHFFFAOYSA-N 277.412 3.671 30 20 CHED C=CCCCC(=O)NC1CCN(CC2CCCCC2)CC1 377979965 WCRHHKVTUNDHRF-UHFFFAOYSA-N 292.467 3.504 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(C)o1 277207685 GXCTXSLWHIRMJD-AWEZNQCLSA-N 281.396 3.881 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@@](C)(C#N)C(C)(C)C 464295815 CHDYOJPHLMSWAG-DOMZBBRYSA-N 252.402 3.647 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 465102171 KBCDHGBAESNEHB-LSJOCFKGSA-N 284.186 3.788 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@H]1C 466379174 VXTNEBXBLYOAAW-RDBSUJKOSA-N 252.402 3.561 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2cccc(C)c2)no1)OCC 273708053 KSQAGPRGIZHPGU-CQSZACIVSA-N 272.348 3.569 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccccc1SC 540749745 MRFLUFAEPKWBHZ-CYBMUJFWSA-N 277.433 3.812 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@H]2CCCC[C@@H]12 543893482 VOGNKIIKCBLWLU-KCXAZCMYSA-N 272.367 3.708 30 20 CHED CCc1occc1C(=O)N(CCC#N)CC(CC)CC 281247063 DTBDZBKQZYUNGJ-UHFFFAOYSA-N 276.380 3.634 30 20 CHED CC(C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)c1cccc(C#N)c1 463951459 QMTGPMCRHFSLKB-QGTPRVQTSA-N 298.430 3.993 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1c(F)cccc1Cl 466322553 OUGIZDLJQMMGTO-NSHDSACASA-N 298.789 3.975 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCCCC#N 462725246 AXARUMUMCBLUDZ-WBVHZDCISA-N 299.418 3.549 30 20 CHED C[C@@H](Nc1cc(C#N)ncn1)c1cc(Cl)ccc1Cl 559501885 ZQIMQLIXJXIRPK-MRVPVSSYSA-N 293.157 3.828 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(-c2ncco2)c1 281923337 JZDGEGGUTLJNMQ-ZDUSSCGKSA-N 285.347 3.818 30 20 CHED CCCNc1ccc(C#N)cc1NCc1nc(C)c(C)o1 285324217 YCDZZSGTSBYLAL-UHFFFAOYSA-N 284.363 3.597 30 20 CHED Cc1cc(C)c2c(c1)CCCN2C(=O)c1cc(C#N)oc1C 280663169 BOQPNKNKYQHMKR-UHFFFAOYSA-N 294.354 3.670 30 20 CHED CC(C)n1ncc2c1[C@@H](Nc1ccc(C#N)cc1F)CCC2 376368366 NHTVJDZCIYBLQX-INIZCTEOSA-N 298.365 3.964 30 20 CHED CN(c1ccc(C#N)cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 288692096 BGSRCCYDHTTYIR-TXEJJXNPSA-N 283.297 3.511 30 20 CHED COC(=O)c1cc(NCCC(C)(C)C#N)cc(Cl)c1F 288638646 CFVUUUOWVWQVGB-UHFFFAOYSA-N 298.745 3.617 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 550967677 AAYUDAQMLCZZEQ-UHFFFAOYSA-N 295.245 3.621 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(NC(=O)OC)c1C 281812884 ONOVNZQFORVIQA-MRXNPFEDSA-N 290.363 3.714 30 20 CHED N#CCC[C@@H](N[C@H]1CCC12CCC2)c1ccccc1 282406346 YBICAUVZMJPIJY-CVEARBPZSA-N 254.377 3.954 30 20 CHED C#Cc1ccc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 289809453 SREUFHWLIVFXTM-WOJBJXKFSA-N 291.394 3.678 30 20 CHED C=CCC1(N[C@@H](c2nc[nH]n2)C2CCCCC2)CCCC1 639322920 ZPHMLAMILOWHCE-OAHLLOKOSA-N 288.439 3.905 30 20 CHED CCCCCCCCN(CC1CCOCC1)OC 801603878 JGPBAAFWSQIFBA-UHFFFAOYSA-N 257.418 3.637 30 20 CHED C[C@@H](O)C[C@@H](CNc1ccc(F)cc1C#N)c1ccccc1 290820879 SOZMGDGXHKGVLF-CJNGLKHVSA-N 298.361 3.664 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)[C@]1(C#N)CC12CCCC2 294761222 ZRXHUMGSVJYCMG-QFBILLFUSA-N 296.414 3.598 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC12CCCC2 474401179 DEIKGIAQUZCNPW-KRWDZBQOSA-N 294.398 3.653 30 20 CHED C=C(CNC(=O)Nc1ccc(COC)cc1)c1ccccc1 806463725 SFVJVZBDBKLIOU-UHFFFAOYSA-N 296.370 3.668 30 20 CHED CCOc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 560072499 WFFFLUDPEXTYMF-UHFFFAOYSA-N 292.382 3.736 30 20 CHED CCN(CCO[C@H](C)C#N)Cc1ccc2ccccc2c1 801915752 NTWGGSBZSWHBCP-OAHLLOKOSA-N 282.387 3.590 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@@H](CC(C)C)C1 562849819 BRDXRLHWHCSDGP-AWEZNQCLSA-N 251.414 3.873 30 20 CHED C#CCCCc1nc(-c2ccc(O[C@H](C)CC)cc2)no1 809406952 JSFZGZHZAVOTSM-CYBMUJFWSA-N 284.359 3.870 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 397626555 SGJIOGCGUMJOSE-YLFCFFPRSA-N 288.435 3.745 30 20 CHED C=CCOCCCOc1ccc(Cl)c2cccnc12 475953223 RKVFLIIDNRKNPF-UHFFFAOYSA-N 277.751 3.860 30 20 CHED COc1cccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1 647371442 QLXPEPQDCMPNMF-CYBMUJFWSA-N 298.367 3.519 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](CC)c1ccccc1OC 564492944 TYQLOCITWSVRCJ-HIFRSBDPSA-N 290.407 3.752 30 20 CHED C#C[C@@H](Nc1nccc(C)c1C#N)c1ccc(Cl)cc1F 804808857 WKNWQSITYMOWFA-OAHLLOKOSA-N 299.736 3.841 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)C(C)C)c1ccc(Cl)cc1F 804419646 SDGOXTZBZPDNOB-IINYFYTJSA-N 281.758 3.562 30 20 CHED C=CC(C)(C)C(=O)Oc1ccc(C(=O)CC)cc1F 297183972 AGSGTKCGFUOJNM-UHFFFAOYSA-N 264.296 3.536 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H](CC)c1cccc(OC)c1 806607155 WIXSKHOUAPEKIZ-HNNXBMFYSA-N 292.448 3.529 30 20 CHED C[C@@H]1C[C@@H]1[C@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 292191254 QYDPLRMVJPOELP-DIOULYMOSA-N 290.794 3.847 30 20 CHED CCC[C@H](CC)S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C 477050981 TUADJKPHAHMTGB-KCQAQPDRSA-N 284.469 3.741 30 20 CHED C=CCN(C(=O)C[C@H](C)CC)c1nc2c(s1)CCCC2 479890790 YRXYKJIDHRALQD-GFCCVEGCSA-N 292.448 3.977 30 20 CHED C=CCCCNC(=O)Nc1ccc(F)cc1SC 646548676 BLMXOEJMWUNHKB-UHFFFAOYSA-N 268.357 3.635 30 20 CHED C=CC[C@H](CC)N[C@H]1CCCN(Cc2ccccc2)C1 393775531 FGTHXWXWMCXUOO-ROUUACIJSA-N 272.436 3.595 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCCSC2)n1 810606570 YPRKICNDLWICJO-QWRGUYRKSA-N 294.445 3.586 30 20 CHED C=CCCCCN1CCC(Cc2cccnc2)CC1 571971264 RBGUGWYXTJVFKN-UHFFFAOYSA-N 258.409 3.692 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(SC)c1C 481547022 VDORHTFMNGOZQH-UHFFFAOYSA-N 264.394 3.757 30 20 CHED C=CCN(CCC#N)c1ncnc2sc3ccccc3c12 488534418 ROVUSXCTVLVXMV-UHFFFAOYSA-N 294.383 3.751 30 20 CHED C#C[C@@H](C)N(C)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 812185388 QDRWWYMOZMOWNX-HUUCEWRRSA-N 298.430 3.505 30 20 CHED CCc1ccc(C#CC(=O)Nc2cccc3[nH]ccc23)cc1 815233348 HPMSIJMBVLUGHW-UHFFFAOYSA-N 288.350 3.721 30 20 CHED COc1cccc(C(C)=NNCCCc2ccccc2)c1 729146291 RGNKFRGPIATTBO-UHFFFAOYSA-N 282.387 3.642 30 20 CHED C=CCCCCOC(=O)c1csc(C(C)(C)C)n1 811012872 ASJQKPLBOHOALC-UHFFFAOYSA-N 267.394 3.954 30 20 CHED Cc1ccc(NN=Cc2c(Cl)cccc2Cl)nn1 729935717 LTOHVTFKMAZLIR-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CC(=NN[C@H](C)COc1ccccc1)c1ccccc1F 811666099 XRHCBEDYPSYVLM-CYBMUJFWSA-N 286.350 3.607 30 20 CHED CC#CCCNC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 483412769 WJGFUYKXMZIRSX-OAHLLOKOSA-N 288.391 3.628 30 20 CHED C=CCN(CCOC)[C@H](C)c1ccc(F)c(Cl)c1 484573470 KCCOFIPEQUWXOX-LLVKDONJSA-N 271.763 3.675 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 486206269 VJABRVBMMCMYBB-YALNPMBYSA-N 293.451 3.689 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2cccs2)cc1F 727653398 NLFHIBORGCDYAB-SOFGYWHQSA-N 275.348 3.849 30 20 CHED C#CCCOC(=O)c1cccc(OCc2cccs2)c1 727041821 KIKSSDQDJLYFOR-UHFFFAOYSA-N 286.352 3.507 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1ccc(O)c(F)c1 728438489 GIGZLIPJCMCQTQ-DAXSKMNVSA-N 293.297 3.976 30 20 CHED Cc1cccc(/C=C\C(=O)c2cccc(CN(C)C)c2)c1 821021504 GJPKHMLHCBYRTB-KHPPLWFESA-N 279.383 3.953 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnc2n1CCC2 823168100 LUFXWEMLJRVZFX-UHFFFAOYSA-N 291.439 3.652 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(C)c(OC)c2)no1 572881914 BOYNGHXEVUKYFA-QGZVFWFLSA-N 286.375 3.831 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc3c(c2)[C@H](O)CCCC3)C1 827024904 FKURODMXIYTWCD-HACGYAERSA-N 270.376 3.551 30 20 CHED C=CCCCC(=O)Nc1cc2ccccc2cc1C(=O)O 825671142 DXRRKCWBPBDFBE-UHFFFAOYSA-N 283.327 3.833 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1CC#N 580479179 OFRWBFCNLLEQKD-UKRRQHHQSA-N 270.376 3.908 30 20 CHED C=CCOc1ccc(CNC(=O)CCC(C)(C)C)cc1 584521218 KOPARDBWWUVQCM-UHFFFAOYSA-N 275.392 3.694 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cnccc1C(F)(F)F 663473297 GWMLJUBDRUUNIU-WDEREUQCSA-N 272.314 3.791 30 20 CHED C#Cc1cccc(NC(=O)COc2cccc(Cl)c2C)c1 735997478 VWVLBIKZSCEESC-UHFFFAOYSA-N 299.757 3.647 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1ccc(Cl)s1 903100183 JIJWOEQQVVQCBZ-SECBINFHSA-N 256.802 3.992 30 20 CHED C=CC[C@H](NC(=O)N(CC)Cc1ccoc1)c1ccncc1 734682943 HNVLGORHUGFYGY-INIZCTEOSA-N 299.374 3.524 30 20 CHED CC(C)(C)Sc1ccc(NC(=O)C#CC2CC2)cc1 837386054 GVXJSEFSDLUPEB-UHFFFAOYSA-N 273.401 3.929 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)CCCCCC#N)CC1 588164873 WLBAEEPXJHVSJK-KGLIPLIRSA-N 250.386 3.545 30 20 CHED CC1CCC(c2noc(CCCCCC#N)n2)CC1 589102843 CCJDKASWTQCMPM-UHFFFAOYSA-N 261.369 3.990 30 20 CHED CC[C@@H](N[C@@H](COC)c1ccc(C)o1)c1cccc(C#N)c1 902831434 YMGMONBQPQZRNB-SJORKVTESA-N 298.386 3.888 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C\c1nc(C)c(C)[nH]1)CC2 901525143 TWPBDIFGSGCOPH-JYRVWZFOSA-N 298.411 3.961 30 20 CHED Cc1ccc2ncc(C#N)c(OCCCCCCCN)c2c1 830405051 RSNHAVUSDZGKGF-UHFFFAOYSA-N 297.402 3.703 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H](CO)CC1 837388491 ULHRRTWYVZTKAX-INIZCTEOSA-N 298.471 3.541 30 20 CHED C=C(Cl)COC(=O)c1ccccc1OCC(C)C 731376058 BGKZVGHJESOLAQ-UHFFFAOYSA-N 268.740 3.631 30 20 CHED C=CCC(F)(F)C(=O)OCc1cnc2ccc(C)cc2c1 836109248 SFABHXLMGDHKPQ-UHFFFAOYSA-N 291.297 3.798 30 20 CHED C#CCCCCCC=NNc1cnc2ccccc2n1 834953364 BXRXYYJIGHLTNJ-UHFFFAOYSA-N 266.348 3.611 30 20 CHED CC(C)(C#N)CCCOC(=O)C1(C(F)(F)F)CCC1 837951127 VKYZDTIOPKGJOG-UHFFFAOYSA-N 277.286 3.592 30 20 CHED C#CCC[C@H](C)OC(=O)c1cc(C)nc2ccccc12 839043290 PWBAXWKUMBEQFX-ZDUSSCGKSA-N 267.328 3.502 30 20 CHED CC#CCCCC(=O)OCc1ccc(Cl)c(OC)c1 835767478 OEBULNQTAQIRHP-UHFFFAOYSA-N 280.751 3.585 30 20 CHED C=CCC1(CNC(=O)c2cccnc2Cl)CCCC1 836990320 CYAROCXXFZCTGN-UHFFFAOYSA-N 278.783 3.601 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NN=c2cc[nH]c3ccccc23)o1 730147769 JSHTXYXIQDVTPY-SWLSCSKDSA-N 291.354 3.819 30 20 CHED Fc1ccc(CON=Cc2ccco2)c(Br)c1 836288860 WAACGIXQJCGTFG-UHFFFAOYSA-N 298.111 3.732 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1N1CCCCC1 837308396 JXSYFSPDLJJIBZ-UHFFFAOYSA-N 284.403 3.665 30 20 CHED Cc1ccc(C=NNc2ncnc3sccc23)c(C)c1 916367958 DILVUNHRPRVMGK-UHFFFAOYSA-N 282.372 3.754 30 20 CHED N#CCCCCOC(=O)CSCc1cccc(Cl)c1 733866767 MUMTZQMNGIDESL-UHFFFAOYSA-N 297.807 3.810 30 20 CHED Cc1ccc(C=NNCc2ccc(C(F)(F)F)cc2)o1 915972398 MBELWWUOYBLDBV-UHFFFAOYSA-N 282.265 3.731 30 20 CHED CC[C@H](C)NN=Cc1ccc(NC(=O)OC(C)(C)C)cc1 834972310 GEANKZIZXWEWJC-LBPRGKRZSA-N 291.395 3.756 30 20 CHED C=COc1ccc(NC(=O)N2CCCC[C@H]2C=C)cc1 839153977 CAQYJAJKLNTTKY-CQSZACIVSA-N 272.348 3.781 30 20 CHED C=CCNC(=O)NCc1ccccc1Oc1cccc(C)c1 592472761 OSSAKMWWNUMFMA-UHFFFAOYSA-N 296.370 3.773 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc2c(c1)CCO2 839384244 VCICIRJQYXJINO-UHFFFAOYSA-N 288.297 3.736 30 20 CHED C=C[C@H](CC(=O)O[C@@H](C)c1csnn1)c1ccccc1 836092436 XOUODTYTFKKBPW-NWDGAFQWSA-N 288.372 3.502 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 595620012 JJWRKCYQWQUMOK-LBPRGKRZSA-N 264.319 3.750 30 20 CHED N#CC1(c2cccc(-c3ccsc3)c2)CCOCC1 592985641 OQIIYLBECMDFKU-UHFFFAOYSA-N 269.369 3.987 30 20 CHED CC(C)CCOc1ccc(Nc2cc(C#N)cnn2)cc1 596145585 QQOCTBGHMCHRLO-UHFFFAOYSA-N 282.347 3.517 30 20 CHED Cc1cc(Cl)cc(CN2CCC[C@@H](CC#N)C2)c1 597176977 KYKJMXXUGAKYBR-ZDUSSCGKSA-N 262.784 3.774 30 20 CHED N#Cc1ccc(CNC2CC3(CCC3)C2)cc1Cl 590964580 VECWSZYBRAABSA-UHFFFAOYSA-N 260.768 3.634 30 20 CHED CCN(CC)c1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1 916853992 SLRIHYJCPHFSGH-UHFFFAOYSA-N 290.370 3.948 30 20 CHED COc1cccc(/C=C2/CCc3cc(C#N)ccc3C2=O)c1 742435721 CVAJJDNNEGZXDW-SXGWCWSVSA-N 289.334 3.779 30 20 CHED CCCCCCCC(=O)Nc1nc(-c2cccs2)n[nH]1 917128455 YNCYDCIREKATLH-UHFFFAOYSA-N 292.408 3.832 30 20 CHED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CC[C@H](C#N)C1 590156314 DLPWVGRIRBGUMI-DSLXNQLJSA-N 298.430 3.778 30 20 CHED C=C1CCN(C(=O)/C=C(\C)c2cccc(Cl)c2)CC1 749985564 DEWMSBYFHBNYLL-JLHYYAGUSA-N 275.779 3.922 30 20 CHED Fc1ccc(C=NNc2nccc3sccc23)cc1 915980487 XUHRFGMHLWBXJG-UHFFFAOYSA-N 271.320 3.881 30 20 CHED C[C@H](C#N)Oc1ccccc1NC1CCC(F)(F)CC1 842865836 AXSRLGBZYBTMKE-LLVKDONJSA-N 280.318 3.967 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C)c(C(C)=O)c1 847211113 ZAYMHTWJYHQFBD-UHFFFAOYSA-N 271.360 3.720 30 20 CHED N#CC1(CC(=O)Nc2cc(Cl)ccc2O)CCCCC1 597419524 HZMWMSYELZFGHR-UHFFFAOYSA-N 292.766 3.848 30 20 CHED CC(C)=CCCC(C)=Nn1c(S)nnc1C(C)C 749157294 XRWWNLQKPOQANN-UHFFFAOYSA-N 266.414 3.661 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2c(C3CC3)cnn2C)c1 849246166 XWFOVCMUINQGBK-VOTSOKGWSA-N 280.371 3.810 30 20 CHED CCC[C@@H](C(=O)N(C)[C@@H](C)C#N)c1ccc(Cl)cc1 598842174 IINZDTYNHASJQH-SMDDNHRTSA-N 278.783 3.594 30 20 CHED COc1ccc(C(C)=NNc2ncccc2Cl)c(F)c1 917549014 GIHYRVLTRDYAJZ-UHFFFAOYSA-N 293.729 3.719 30 20 CHED Oc1ccccc1/C=N/C[C@H]1SCCc2ccccc21 749845736 UBOSAFARIRXPEJ-AUUUKSDWSA-N 283.396 3.842 30 20 CHED FC(F)(F)CCON=Cc1ccccc1Cl 740872976 YSGQGZPBQYCQHH-UHFFFAOYSA-N 251.635 3.643 30 20 CHED COc1cccc(C=NNc2ncccc2C(F)(F)F)c1 915050752 AOURXYFUWLYABZ-UHFFFAOYSA-N 295.264 3.555 30 20 CHED C=CCSCCNC(=S)Nc1cc(C)cc(C)c1 745019110 KSTLDORMYRRSQD-UHFFFAOYSA-N 280.462 3.509 30 20 CHED CCCCCCCC(=O)O[C@@H](C)c1nc(C2CC2)no1 919223413 WOXDCKAAIWRTQH-NSHDSACASA-N 280.368 3.912 30 20 CHED CCOc1cccc(C(C)=NNCc2ccc(OC)cc2)c1 743531111 FRAUUKYIIXYMJH-UHFFFAOYSA-N 298.386 3.608 30 20 CHED C#CCCCCCC(=O)O[C@H]1CCCc2cccnc21 845653332 QYUPXUHPMUJEOT-HNNXBMFYSA-N 271.360 3.586 30 20 CHED C=CCCSCCNC(=O)Nc1ccccc1SC 596633628 NAWLAXIPGKCZJG-UHFFFAOYSA-N 296.461 3.839 30 20 CHED CC1=C(C(=O)O[C@H](C)c2cccc(C#N)c2)CCC1 747231664 MKPWLMJLSGCDII-GFCCVEGCSA-N 255.317 3.663 30 20 CHED CC(C)CC(Cc1cccc(Cl)c1)=NN(C)C[C@H](C)O 841651079 JMYFXFKWCGSTQF-ZDUSSCGKSA-N 296.842 3.597 30 20 CHED CCO[C@H]1CC(=NOCc2cccnc2)C1(CC)CC 746585356 DBIWWSMYYBEOHM-HNNXBMFYSA-N 276.380 3.569 30 20 CHED C[C@H](C/N=C\c1ccccc1O)c1ccc(F)cc1 920177524 HNXXDVNSTCTDIK-OTWJJXBCSA-N 257.308 3.754 30 20 CHED C=C(C)CON=C1CCC(c2ccc(O)cc2)CC1 844619455 FFXHBBAWWRSOKW-UHFFFAOYSA-N 259.349 3.999 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccnc(O)c1 926590846 GVIWLMQFUQTRCY-YOEHRIQHSA-N 282.387 3.625 30 20 CHED CC#CCOC(=O)C1(c2ccc(Cl)cc2)CCCC1 744466431 NGGFJPPIHGIEFG-UHFFFAOYSA-N 276.763 3.718 30 20 CHED C=CCC[C@@H](CCC)NCc1cc(C2CC2)nn1C 927100616 ZSMWCBFVNLUUDT-CQSZACIVSA-N 261.413 3.522 30 20 CHED C=CCC[C@H](C)N[C@H](CC)[C@@H](O)c1c(F)cccc1F 756731528 GNLFZFRBBGOIFU-SGIREYDYSA-N 283.362 3.721 30 20 CHED Cc1nc(-c2ccc(N[C@H](C)CC(C)(C)C#N)cc2)n[nH]1 925940807 POWXTJBFAMOMHE-LLVKDONJSA-N 283.379 3.520 30 20 CHED Cc1cn2c(C=NN[C@@H](C)c3ccccc3)c(C)nc2s1 920382695 LOIJPZVDZRYJMX-LBPRGKRZSA-N 298.415 3.697 30 20 CHED CCOc1ccc(/C=N\Cc2ccccc2OCC)c(O)c1 920172162 AIFBSCHOXJZLGW-UNOMPAQXSA-N 299.370 3.809 30 20 CHED C=CCCCCCN(C)C(=O)c1sc(NCC)nc1C 759259029 QQVVEZBJRNOXID-UHFFFAOYSA-N 295.452 3.702 30 20 CHED C=C(C)CCN[C@H](c1ccccn1)c1ccccc1OC 926517328 AOVJSOVKWZIBKA-SFHVURJKSA-N 282.387 3.735 30 20 CHED CSCC[C@H](C)OC(=O)CC1(C#N)CCCCC1 851067247 LDUFAQXTWQYNFZ-LBPRGKRZSA-N 269.410 3.535 30 20 CHED C=CCc1cc(CN(C)CC2CCCC2)c(O)c(OC)c1 754720930 WELJAOIZCVPNEF-UHFFFAOYSA-N 289.419 3.751 30 20 CHED C=C(Cl)CSCC(=O)c1[nH]c(C)c(C(C)=O)c1CC 853783612 NMZMYOUJODULRA-UHFFFAOYSA-N 299.823 3.757 30 20 CHED C/C(=C/C(=O)O[C@@H](C)C(C)(C)C#N)c1cccs1 857014066 AKLPWCAWEHDFRW-IEHMKBBKSA-N 263.362 3.633 30 20 CHED CC(C[C@H]1CCOC1)=NNc1cc(F)cc(Cl)c1 853396480 KGOYQYLQFWIGKX-SNVBAGLBSA-N 270.735 3.694 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)c1c(F)cccc1F 851207707 GHZNTUJTGCDJCO-QWRGUYRKSA-N 295.329 3.940 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(F)c(SC)c(F)c1 752890161 LWDJWZCMMGTCQR-UHFFFAOYSA-N 292.738 3.561 30 20 CHED CC(CC1CCOCC1)=NNc1cc([N+](=O)[O-])ccc1C 757576528 VJYOLQBZLHWUOT-UHFFFAOYSA-N 291.351 3.508 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccnn1C(F)F 851142007 FGVGEHOVLGEZTB-PWSUYJOCSA-N 284.306 3.570 30 20 CHED COc1ccccc1CC(=NOCC(F)F)C(C)C 758902728 JLHCXCRHHBCEQW-UHFFFAOYSA-N 271.307 3.531 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(-c2ncc[nH]2)cc1 931271113 YKNAZOUNECCCSV-LBPRGKRZSA-N 269.348 3.618 30 20 CHED CC(C)(C#N)CC(=O)NCCCCCCc1ccccc1 862625035 JNAFADYVDIGWOR-UHFFFAOYSA-N 286.419 3.846 30 20 CHED CC(C)[C@@]1(CO)CCCN(CCCCC2(C#N)CCC2)C1 930585646 VWEKNFQKGJTTGJ-SFHVURJKSA-N 292.467 3.581 30 20 CHED CCCCCCCNC(=O)/C=C/c1scnc1C 862357540 XNUPVDYTZOQFPN-CMDGGOBGSA-N 266.410 3.551 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccc2sccc2c1 765629624 ACJLIVWDATXNNO-ZDUSSCGKSA-N 273.357 3.996 30 20 CHED CC(=NNc1cnn(C)c1)[C@H](C)c1nc2ccccc2s1 761868155 ZLJMZKFVQFVOEN-JTQLQIEISA-N 299.403 3.621 30 20 CHED C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](C#N)C1 932156755 OZHUDUBDCSHCOA-KGLIPLIRSA-N 281.359 3.638 30 20 CHED CC(C)CC1CCN(C(=O)c2ccc(C#N)s2)CC1 760946686 ZPIDFPNZRWFBFQ-UHFFFAOYSA-N 276.405 3.518 30 20 CHED C[C@H](OC(=O)C[C@H]1CCC[C@H]1C)c1ccc(C#N)cc1 769307937 XBNXVRMKOLYBAW-DVOMOZLQSA-N 271.360 3.989 30 20 CHED Cc1cc(OC(=O)[C@H](C)c2cccc(F)c2)ccc1C#N 765092129 QOOUSTBPANVQEA-GFCCVEGCSA-N 283.302 3.715 30 20 CHED CCn1cc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)cn1 763288220 GOXFHWNJHYMJKH-BRYYZUPOSA-N 278.355 3.603 30 20 CHED C[C@@H]1CCC(=NNc2ccc(F)c([N+](=O)[O-])c2)[C@H](C)C1 769821014 BAAGDSVAIASDKT-NXEZZACHSA-N 279.315 3.958 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc3nccn23)cc(C)c1F 769608586 DKNWENVUGMKUTL-SREVYHEPSA-N 294.329 3.986 30 20 CHED N#Cc1ccc(C=NNc2c(F)cccc2Cl)c(F)c1 769827449 YORHICDDKSYDAF-UHFFFAOYSA-N 291.688 3.936 30 20 CHED N#CCc1cccc(NCC2(c3ccc(F)cc3F)CC2)n1 1116636188 FTDYPMDWUWEXLV-UHFFFAOYSA-N 299.324 3.570 30 20 CHED CCN1CCN(Cc2ccc(CC#N)cc2)c2ccccc21 1118100229 SOJUYYUYOQWFPY-UHFFFAOYSA-N 291.398 3.599 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1OC 774123096 MLVDBEQJCXEGHI-LZWOXQAQSA-N 272.392 3.818 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Cc1ccc(F)cc1 775926361 VFBSRYCIELQXOM-ZIAGYGMSSA-N 277.383 3.865 30 20 CHED CCCOc1ccc(NC[C@@H](C)CCC#N)cc1F 877658605 ACBSRFLVGDMEJA-LBPRGKRZSA-N 264.344 3.966 30 20 CHED C=CC[C@H](C(=O)OCc1c(C)noc1C)c1ccccc1 778430207 QYDNDAYKJLSTGP-HNNXBMFYSA-N 285.343 3.695 30 20 CHED CC[C@@H](C)c1nnc([C@@H](C)Oc2ccc(C#N)cc2)o1 1117240214 OUSPUUICUZJORZ-GHMZBOCLSA-N 271.320 3.595 30 20 CHED Cc1cc(C(=O)OCCC(C)(C)C#N)c(C(F)(F)F)o1 770475267 ABRFWOHYGFAXHX-UHFFFAOYSA-N 289.253 3.704 30 20 CHED C=CC(C)(C)CC(=O)NCc1coc(-c2cccs2)n1 878018584 KMTBOFCJLCBMMI-UHFFFAOYSA-N 290.388 3.622 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H]2CCC(F)(F)C2)cc1 777243761 YBPWDCWBMLIROT-JSGCOSHPSA-N 279.330 3.537 30 20 CHED C=CCCCCCCCN[C@H]1CCOC2(CCOCC2)C1 886118615 LWOQDQHXGRTPQX-KRWDZBQOSA-N 295.467 3.831 30 20 CHED COc1cccc(NN=C(C)c2cc(C)sc2C)n1 779816186 CJDWSDIXHPGKOO-UHFFFAOYSA-N 275.377 3.605 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(O)c(Cl)c1 777462670 HBJJIALVZLTQJW-UHFFFAOYSA-N 281.661 3.739 30 20 CHED C[C@@H](ON=Cc1ccc(C(C)(C)C)cc1)c1ncccn1 882942550 GYYQXRYEKURMRV-CYBMUJFWSA-N 283.375 3.886 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1[N+](=O)[O-])c1cscn1 776193837 VOLMBNQCZFLEHA-DAFODLJHSA-N 294.719 3.601 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccnc1Cl 1123402526 XHKCONACKPNARV-NSHDSACASA-N 279.771 3.698 30 20 CHED C=C(CC)C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C 1123775705 BUFUKMRAUJYDNZ-VXGBXAGGSA-N 261.340 3.626 30 20 CHED Cc1cc(F)cc(C(=O)Nc2ccccc2O[C@H](C)C#N)c1 780157495 CBFYINVTLUECSW-GFCCVEGCSA-N 298.317 3.677 30 20 CHED CC(=NNc1nc(C(F)(F)F)cs1)[C@@]1(C)CCCO1 782249783 QLBGTSLMRPIVNG-SNVBAGLBSA-N 293.314 3.519 30 20 CHED C#CCCCOc1c(F)cc(F)cc1Br 164161690 GBTNPMFYLDBARP-UHFFFAOYSA-N 275.092 3.520 30 20 CHED N#CCCN(CCSc1ccccc1)Cc1ccco1 81518079 UIDQBGNEKDXNGF-UHFFFAOYSA-N 286.400 3.788 30 20 CHED C[C@H](Cc1ccsc1)N(C)Cc1ccc(C#N)cc1 81599757 QVILPCRBJOGKMC-CYBMUJFWSA-N 270.401 3.683 30 20 CHED C#CCOc1ccc(CN[C@H](CC(F)(F)F)C(C)C)cc1 782543522 LIRKOEKGJBSACT-OAHLLOKOSA-N 299.336 3.765 30 20 CHED C#CCC1(C(=O)OCc2cccc(C#N)c2F)CCCCC1 788217408 FPFZWDMCLBDMDH-UHFFFAOYSA-N 299.345 3.714 30 20 CHED Cc1ccc2nc(/C=C3\Cc4c(C)cccc4C3=O)cn2c1 789143746 RNLRXTHEKISVGV-RIYZIHGNSA-N 288.350 3.774 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCCCCC1 1359141708 PUWNSHWPLOXOPA-LBPRGKRZSA-N 296.846 3.925 30 20 CHED C=CCC1(O)CCN(C[C@H](C)c2ccc(C)cc2)CC1 895834470 LTNHLOYRRNKOGY-INIZCTEOSA-N 273.420 3.502 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)C1(C#N)CCCCC1 890610816 OEULIMHWCOAQCW-INIZCTEOSA-N 282.387 3.954 30 20 CHED Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)s1 90404765 MYZPUBYXCSPQIE-WDEREUQCSA-N 271.389 3.735 30 20 CHED CC1(CNN=Cc2cccc(OCCCC#N)c2)CCCC1 793084337 MDDCENJVNDABGS-UHFFFAOYSA-N 299.418 3.873 30 20 CHED CC[C@@H](C)C[S@](=O)CCCCC1(C#N)CCC1 899287422 UXRADGKVOICHCT-CXAGYDPISA-N 255.427 3.645 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc(C(F)F)cc1 794944661 VESOXDGXOAOHHM-VGOFMYFVSA-N 296.276 3.989 30 20 CHED C=C(Cl)COC(=O)c1cccc(C(F)(F)F)c1F 750981125 YTWNZBBBIXYWQX-UHFFFAOYSA-N 282.620 3.754 30 20 CHED CN(CCC#N)C(=O)c1sc2ccccc2c1Cl 60617324 ARHNRRNHTTVPFQ-UHFFFAOYSA-N 278.764 3.540 30 20 CHED Clc1cc(Cl)cc(NN=CC2CCOCC2)c1 790211502 NCKQZQWXQIWHMG-UHFFFAOYSA-N 273.163 3.818 30 20 CHED COCCCON=C(C)c1ccc(C(C)(C)C)cc1 795042781 YOMXADMOYOQKTK-UHFFFAOYSA-N 263.381 3.761 30 20 CHED Cn1ccnc1NN=C1CCCc2c1sc1ccccc21 790306360 YLNZGNFBOPYDJJ-UHFFFAOYSA-N 296.399 3.787 30 20 CHED Cc1cc(C(=O)Nc2cc(F)cc(C#N)c2)sc1C 720267239 FXCIHEOQSDNRDF-UHFFFAOYSA-N 274.320 3.628 30 20 CHED CC1(CC/N=C/c2cc3ccccc3nc2O)CC1 794831444 AUWQTJJYYIIDKY-GZTJUZNOSA-N 254.333 3.550 30 20 CHED CC(C)C[C@@H](C)CON=C(N)c1nccc2ccccc12 799175796 QNQKMUZUIRQQKC-CYBMUJFWSA-N 285.391 3.554 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@]1(C)CO 723032135 FNOQXNAMIQKEQY-MRXNPFEDSA-N 269.429 3.501 30 20 CHED Cc1cc(C#N)ccc1Oc1nc(C(F)(F)F)ns1 587760796 VYYAIZAIHYFFSN-UHFFFAOYSA-N 285.250 3.529 30 20 CHED CC(C)[C@H]1CCC[C@@H]1NCc1cc(C#N)ccc1F 773029550 HBMAGHVHWBCBKX-ZBFHGGJFSA-N 260.356 3.612 30 20 CHED Cc1ccc(C#N)c(N2CCC(C)(CC(C)C)CC2)n1 1307135892 ZHQTXKCQMCQXGT-UHFFFAOYSA-N 271.408 3.914 30 20 CHED C#CCCCCNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1319091970 MBIPMHKCEJDFKF-UHFFFAOYSA-N 297.442 3.935 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1329457596 KNBCZGBXAFEFPX-JTQLQIEISA-N 284.762 3.758 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)c2cccc(Cl)c2O1 1170116914 HLGKSWMDHIZLHO-GFCCVEGCSA-N 298.773 3.999 30 20 CHED C[C@H]1COc2ccccc2[C@H]1OC(=O)c1csc(C#N)c1 1328236681 XKBRWQPYJWEHGY-BONVTDFDSA-N 299.351 3.546 30 20 CHED N#CCOc1ccc(NC(=O)/C=C\C2CCCCC2)cc1 1328626866 OZPODLDNEPEPCY-WDZFZDKYSA-N 284.359 3.664 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C/c1ccc(F)nc1)C2=O 1321464898 VQKWAHVLAZSRDL-VPMLRQHESA-N 283.302 3.618 30 20 CHED Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCCC#N 1325340443 QCTBBYLEXFLAMW-CHWSQXEVSA-N 258.365 3.532 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2ccc(C)nc2C)cc1 1320675437 MZVCJYCALVXEOM-CQSZACIVSA-N 280.371 3.884 30 20 CHED Fc1ccc(CNN=Cc2ccc(F)c3cccnc23)cc1 1323961819 GPHXTJNUDUTEQF-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cccc(Cl)c1F 1325880187 SICBIKDQGACSSC-UHFFFAOYSA-N 269.747 3.698 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1334435855 WMFIPBWFJRMFND-INIZCTEOSA-N 288.778 3.661 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCC3)CCc2scnc21 1331722386 IIZGBTPEFYEJBC-NTEUORMPSA-N 281.380 3.844 30 20 CHED COc1cc(NC(=O)/C(C)=C/C(C)(C)C)c(F)cc1C#N 1334273577 AOBLFUQTZIKWCB-CSKARUKUSA-N 290.338 3.637 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc(N2CCC[C@@H]2C)n1C 1262911471 AFOXDPXQOQLORU-GOEBONIOSA-N 296.418 3.512 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)c1c[nH]cc1C)c1cccs1 1346404973 XOQCQAAEOUUROY-SMDDNHRTSA-N 288.372 3.833 30 20 CHED CCc1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc(Cl)n1 1263555634 UFPLYHIPBGSQEL-JTQLQIEISA-N 294.782 3.783 30 20 CHED Cc1ccc(CCC(=O)[C@H](C#N)c2cccc(F)n2)c(C)c1 1344007151 XQSPMEDYQTYSAN-OAHLLOKOSA-N 296.345 3.647 30 20 CHED CCCCC[C@H]1CCCN1C(=O)c1csc(C#N)c1 1347825806 NWMMVBZTEIQJDD-ZDUSSCGKSA-N 276.405 3.805 30 20 CHED N#Cc1cc(NC(=O)[C@H](F)CC2CCCCC2)ccc1F 1352455931 PLCUMTMDJWVNRE-OAHLLOKOSA-N 292.329 3.944 30 20 CHED Cc1ccc([C@@H](C)CNC(=O)c2ccc(C#N)cc2F)cc1 1353877837 VQKCWIFKFQUXBK-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(CC)CCC1CC1 1507863108 CCNJFWXINPELRM-UHFFFAOYSA-N 294.830 3.534 30 20 CHED CC1(C)CCC/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 158997739 OLMWTVWEXFUDDH-BENRWUELSA-N 259.305 3.757 30 20 CHED CCn1cc(CNc2cccc(OCCCC#N)c2)c(C)n1 1351960928 BWTZZYSLDDGLEZ-UHFFFAOYSA-N 298.390 3.506 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cc1F 1436533394 GSZOMEZFRHKQSY-UONOGXRCSA-N 288.366 3.644 30 20 CHED CC[C@@]1(C)CCCN(c2nc(Cl)c(C#N)s2)C1 804519654 BLTRYWRXYMTFEN-LBPRGKRZSA-N 269.801 3.685 30 20 CHED C=CCC[C@@H](C)OC(=O)c1ccc(NC(C)=O)c(Cl)c1 1524793633 PWBPRNSZPKWUIZ-SNVBAGLBSA-N 295.766 3.810 30 20 CHED C=C[C@H](C(=O)N1CCC[C@@H]1c1cccn1C)c1ccccc1 1520753910 RDZOGHHSGSKVQH-FUHWJXTLSA-N 294.398 3.658 30 20 CHED C[C@@H](CC(=O)N1CCc2c(C#N)cccc21)CC(C)(C)C 1526016830 DMZQWNPVTODIFW-ZDUSSCGKSA-N 284.403 3.910 30 20 CHED CC(C)(C(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1 1526992104 JHZMYRBVZGAJLY-HNNXBMFYSA-N 283.327 3.755 30 20 CHED C=C(CC)C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 1520174710 NHUKHEVLIAZECB-PHIMTYICSA-N 263.303 3.532 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2ccc(C#N)c(F)c2)CC[C@H]1C 1527517254 XCTNVJBWRJSRGO-WOPDTQHZSA-N 274.339 3.708 30 20 CHED O=C(O)[C@H]1CCCC(=NNc2c(F)cccc2Cl)C1 1601800881 GJQYDJKJPZPWPF-QMMMGPOBSA-N 284.718 3.522 30 20 CHED CC(C)CC(CC(C)C)NC(=O)c1csc(C#N)c1 1530335256 VNHMVNDJPLDVPC-UHFFFAOYSA-N 278.421 3.810 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2ccccc2CC#N)c1 1546094645 TUXSMXMFVLPKSO-AWEZNQCLSA-N 278.355 3.552 30 20 CHED COc1ccc(CNCC(C)(C)C#N)cc1C(C)(C)C 1621101424 XRVYSXCVYBZQQT-UHFFFAOYSA-N 274.408 3.632 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(CC2(CC#N)CC2)C1 1559573508 GPOIQMVSVUMVPM-XJKSGUPXSA-N 272.367 3.902 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)Nc1scc(C)c1C#N 1624563928 ARTNJTOWOXPIJF-ZYHUDNBSSA-N 277.393 3.628 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 1562143793 QAACWCZDRZNUPU-KBPBESRZSA-N 271.364 3.506 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NCCc1ccc(C#N)cc1 1653373402 RMVUVFYFEDBNSK-WMLDXEAASA-N 270.420 3.905 30 20 CHED CO[C@@]1(C)C[C@H](NCCC2(C#N)CCCCC2)C1(C)C 1653642596 QOLWHKTZYNGYRY-HOCLYGCPSA-N 278.440 3.644 30 20 CHED CC(=O)c1ccc(Oc2cc(C)c(C#N)cn2)c(C)c1 1650724171 OMABXADFXQUZDD-UHFFFAOYSA-N 266.300 3.565 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 1588605825 PIPASMZOEHVGRX-UHFFFAOYSA-N 281.739 3.579 30 20 CHED CS[C@@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1599788888 JBJNRZATRTYZQI-LLVKDONJSA-N 296.367 3.597 30 20 CHED C=C(C)COCCNC[C@@H](c1ccccc1)C(C)C 232707397 JOJCIHGUQYEUMF-QGZVFWFLSA-N 261.409 3.609 30 20 CHED C=C(C)CCCC(=O)Nc1ccc(C(=O)O)c2cnccc12 1776138283 BFBVXQUOUNGYIK-UHFFFAOYSA-N 298.342 3.618 30 20 CHED N#Cc1ccc(/C=C\c2nc3c(C(=O)O)cccc3o2)s1 1777566521 XAPWUBGHKFAQAW-SREVYHEPSA-N 296.307 3.630 30 20 CHED O=C(O)c1ccc(NN=C2CCC3(CCC3)C2)cc1 1776014157 JOYKJDCEHQIODV-UHFFFAOYSA-N 258.321 3.507 30 20 CHED CCCCC(CC)=NNc1ccc(C(=O)O)c(F)c1 1776074282 RUPMXXLQHLGPRM-UHFFFAOYSA-N 266.316 3.892 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2ccc(Cl)cc2)C1 1776155468 LVEPNPIXJWIDNR-MRXNPFEDSA-N 293.794 3.583 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccc(C(=O)O)s2)c1 1776133707 MIZWONDCYXYWHF-ALCCZGGFSA-N 286.352 3.959 30 20 CHED CC[C@H](NC(=O)NCC1(C#N)CCC1)c1cc(C)ccc1C 1686829019 WJKMCFCINQTREM-INIZCTEOSA-N 299.418 3.748 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccccc2)cc1OC 16503773 AUACVOPDKOAZBH-UHFFFAOYSA-N 283.327 3.512 30 20 CHED COc1cccc(SCc2cccc(C#N)c2)c1 19847594 ZJKMGRJMWNCAMZ-UHFFFAOYSA-N 255.342 3.859 30 20 CHED C=CCCCCCN(C)[C@@H](C)c1nc(C2CC2)no1 150881339 KUUSGWFUMUQCOG-LBPRGKRZSA-N 263.385 3.686 30 20 CHED CCCC[C@H](CC)CC(=O)Nc1nn(C(C)C)cc1C#N 161101543 ZSTIQTZTVONFKK-ZDUSSCGKSA-N 290.411 3.881 30 20 CHED CC(C)(C#N)CCCSCc1noc(C(C)(C)C)n1 161476445 WIBQTGQGMYAEEW-UHFFFAOYSA-N 281.425 3.930 30 20 CHED Cc1cc(N[C@H](CCC#N)c2ccccc2)ncc1[N+](=O)[O-] 164313207 UZQRJQZLPZMBKH-CQSZACIVSA-N 296.330 3.755 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1 152280923 CBTFYLICSIFZEY-RYUDHWBXSA-N 265.784 3.599 30 20 CHED CC[C@H](CC(=O)N(CC)c1ccc(C#N)cc1)C(C)C 152293232 LRWTYFHUELUNNL-OAHLLOKOSA-N 272.392 3.983 30 20 CHED C=CCCOCC/N=C(\N)Nc1ccc([C@H](C)CC)cc1 155547082 WCMQHQCNPVZCIU-CQSZACIVSA-N 289.423 3.519 30 20 CHED CCCn1ccc2ccc(NC(=O)N[C@@H](CC)CC#N)cc21 156082815 CUWBVUKXLYJDPV-AWEZNQCLSA-N 298.390 3.865 30 20 CHED C=CCCOc1ccc(N(C)C(=O)C(C)(C)C)cc1 154343966 DEVPSUBUGHJTKY-UHFFFAOYSA-N 261.365 3.650 30 20 CHED C[C@@H](C#N)Oc1ccc(-c2nc3cc(Cl)cnc3[nH]2)cc1 154704485 VQEGHPQIOKLWLC-VIFPVBQESA-N 298.733 3.569 30 20 CHED Cc1ccccc1C[S@](=O)CCCCC(C)(C)C#N 235787069 RISZHXIRRIDRKI-LJQANCHMSA-N 277.433 3.964 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccccc1O 136317585 VDUQDTDCAUCTMJ-UHFFFAOYSA-N 253.345 3.580 30 20 CHED CC(C)(CNC(=O)Nc1cccc(C#N)c1)C1CCC1 1310076084 GQFQCTWEUHPLCB-UHFFFAOYSA-N 271.364 3.506 30 20 CHED N#Cc1cc(NCc2cccnc2)ccc1C(F)(F)F 154039089 BSKUPSIEZDNDNR-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C[C@H](NC[C@@H]1CCCCS1)c1ccc(OCC#N)cc1 156376483 FLRRAYKTNLNFOU-BBRMVZONSA-N 290.432 3.525 30 20 CHED CC(C)CCC[C@@H](C)NCc1ccc(OCC#N)cc1 34991191 HGZYZLCTYDBYSQ-OAHLLOKOSA-N 274.408 3.893 30 20 CHED COc1ccc(Cl)c(NCc2ccc(C#N)cc2)c1 43316531 XBYXIZUZWSXTBL-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@@H]1CCCC[C@@H]1CNCc1ccc(OCC#N)cc1 42858733 HPKWCXIJMFQXNT-GDBMZVCRSA-N 272.392 3.505 30 20 CHED C[C@H]1CCN(c2ccc(C#N)c(Br)c2)C[C@H]1C 300295499 OXCDHKIBIUWYEF-WDEREUQCSA-N 293.208 3.803 30 20 CHED CC[C@@H]1CCC[C@H](Nc2cccc(OCC#N)c2)C1 71113559 DBWNPFYTPPXKMH-KGLIPLIRSA-N 258.365 3.970 30 20 CHED CCC[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 404186573 FAOZRIMFPVPTSL-OAHLLOKOSA-N 260.356 3.852 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)c(Cl)c1 311137720 CASNGIZDVJADGP-VIFPVBQESA-N 284.693 3.586 30 20 CHED Cc1cccc(CNc2cccc(CC#N)c2)c1F 313412004 RCCGWDSBUFNTTA-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1 320768666 PORAJOGPEXVDMU-CMPLNLGQSA-N 288.218 3.971 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 496434839 WIPVSFGWOAGYLN-ZIAGYGMSSA-N 296.455 3.576 30 20 CHED C[C@@H](C#N)OCCNc1ccc(Cl)c(C(F)(F)F)c1 381659834 MREAIGWUIYCUAV-QMMMGPOBSA-N 292.688 3.699 30 20 CHED COc1cc(C#N)cc(OC[C@@H]2CCCC(F)(F)C2)c1 382666624 ZKLSUXMCWZMAPW-LLVKDONJSA-N 281.302 3.771 30 20 CHED Fc1ccc2c(c1)CCC2=NOCc1ccccc1 734299510 YTLTXKFRGWKNPZ-UHFFFAOYSA-N 255.292 3.693 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[C@H]1F 555271336 ARONLHROMBZFCY-PWSUYJOCSA-N 272.245 3.880 30 20 CHED COc1ccc(C(=O)/C=C/c2ccccc2OC)c(F)c1 6641209 RMAZZBLSJGTCPO-JXMROGBWSA-N 286.302 3.739 30 20 CHED CC(C)Oc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 107274837 YSTRUCKEAQCEDX-UHFFFAOYSA-N 297.314 3.997 30 20 CHED Cc1cc(=O)oc2cc(Oc3cccc(F)c3C#N)ccc12 57796944 PQZPUFANNSICIS-UHFFFAOYSA-N 295.269 3.905 30 20 CHED CCCCCCCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 104577935 VCYLRKJJLRYYQO-FUHWJXTLSA-N 289.419 3.512 30 20 CHED CCCCCCCCN1Cc2ccccc2C[C@@H]1C(=O)O 108972374 CQVLPAABAMDGTB-QGZVFWFLSA-N 289.419 3.858 30 20 CHED COc1ccc(CCCN[C@H](C)c2ccc(C#N)cc2)cc1 173984233 HGHPILXGMJJQKO-OAHLLOKOSA-N 294.398 3.850 30 20 CHED C[C@@H](NC(=O)c1sccc1C#N)c1ccc(Cl)s1 52030455 CDDFZTYDJGLKQQ-SSDOTTSWSA-N 296.804 3.826 30 20 CHED N#CCCCCN(Cc1ccc(F)cc1F)C1CC1 102397594 PQAKXPZUPKSOLC-UHFFFAOYSA-N 264.319 3.623 30 20 CHED CC[C@@H](CC(=O)N(C)Cc1cccc(C#N)c1)C(C)C 104241963 CEGCQFJUDQENTG-INIZCTEOSA-N 272.392 3.589 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1OC(F)F 104977810 QFEALPLAHJTLMT-UHFFFAOYSA-N 284.306 3.718 30 20 CHED Cc1cc(C)c(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)o1 175506769 FZGHIVLAWXHICS-UHFFFAOYSA-N 296.370 3.819 30 20 CHED CC(C)n1ccc(=O)nc1S[C@H](C)c1ccc(C#N)cc1 118177196 DFTPRGACJLEAPN-GFCCVEGCSA-N 299.399 3.549 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)CCC[C@H]1C 175745417 LVXNVXOZQAHCGT-GXTWGEPZSA-N 285.391 3.909 30 20 CHED C[C@@H](CCc1cccn1C)Nc1c(Cl)cccc1C#N 301461518 OFNGMHAEWPMPBO-LBPRGKRZSA-N 287.794 3.983 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(OC)ccc1OC(C)C 117006750 SHFDGEGTPMPDMW-LBPRGKRZSA-N 292.379 3.569 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N(C)C1(C#N)CCC1 179978382 YQEMGQVWHBIHHI-HNNXBMFYSA-N 284.403 3.550 30 20 CHED C=CCC[C@H](C(=O)NC[C@@H]1CCCS1)c1ccccc1 188522325 MWYRNJCZPIKMKP-HOTGVXAUSA-N 289.444 3.748 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 116973626 ZHKOQKXLTHNSRN-SWLSCSKDSA-N 276.355 3.637 30 20 CHED C=C(Cl)CSCc1nc(CCc2ccccc2)no1 174605891 RMUADFFUDGWVKO-UHFFFAOYSA-N 294.807 3.841 30 20 CHED CC[C@H](Nc1ccc(OCC#N)cc1)c1ccccc1O 20126530 PYCGKNDHPSZFIV-INIZCTEOSA-N 282.343 3.858 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 305771868 KQZXHKYXAPJPRI-BEFAXECRSA-N 296.414 3.726 30 20 CHED Cc1ccccc1-n1ccnc1SCCCCC#N 122042562 ZIPYJKDGKMHNCO-UHFFFAOYSA-N 271.389 3.967 30 20 CHED C=CCCCC(=O)Nc1cccc(COCC2CC2)c1 175445055 TXOPEYZUZPLRTM-UHFFFAOYSA-N 273.376 3.908 30 20 CHED C=C(C)CCN1CCC[C@@H]1c1cccc2c1OCCO2 352048250 LMGXJXHKQFYNOY-OAHLLOKOSA-N 273.376 3.561 30 20 CHED COc1cccc(CSc2c(C#N)cccc2C#N)c1 302910679 ZDNYJAZDJAMTEC-UHFFFAOYSA-N 280.352 3.731 30 20 CHED C=CCCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 175724892 RMNHAYYFWSMASV-ZFWWWQNUSA-N 275.367 3.886 30 20 CHED C=CCN(CC=C)C(=O)NCCCc1ccc(Cl)cc1 120621882 PAZZCOSKKIDOGF-UHFFFAOYSA-N 292.810 3.656 30 20 CHED Cc1ccc(-c2ocnc2C(=O)OCC(C)(C)CC#N)cc1 184782635 VGWMYLYZDJQAHK-UHFFFAOYSA-N 298.342 3.747 30 20 CHED CC1(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2)CCCCC1 126093344 IZQUYXDMWRKRBR-HNNXBMFYSA-N 298.386 3.694 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)cs2)c(C)c(C)c1O 185784650 BGVJNHRESWZIRF-UHFFFAOYSA-N 286.356 3.503 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccoc1 181574578 UNAFMQMLCPYAJM-CJNGLKHVSA-N 254.333 3.975 30 20 CHED CCc1ccc(CNc2ccccc2O[C@@H](C)C#N)o1 181125552 GKZKLYMOPZUNSW-LBPRGKRZSA-N 270.332 3.745 30 20 CHED N#CC1CCN(Cc2csc3ccccc23)CC1 70217484 PYSULAOKOPQPTA-UHFFFAOYSA-N 256.374 3.637 30 20 CHED CC1(C)CN(c2cc(Cl)ccc2C#N)CCS1 122040946 OOLJVAVIVDTMEE-UHFFFAOYSA-N 266.797 3.543 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC[C@H]1CC[C@H](C)O1 75198590 XAKAWPNALQNULW-GOEBONIOSA-N 294.439 3.513 30 20 CHED CCn1c(S[C@@H](C)c2cccc(C#N)c2)nnc1C1CC1 189814525 GBSCOJZRHDJMID-NSHDSACASA-N 298.415 3.900 30 20 CHED C[C@H](CCC#N)N1CC[C@H](Cc2ccccc2)[C@H]1C 411301582 DKRAEMJOORWRMZ-BFYDXBDKSA-N 256.393 3.632 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC(F)(F)C1 412843043 RQTHUMYPLUMOOE-GJZGRUSLSA-N 293.357 3.725 30 20 CHED C=CCN1CCC(N[C@H](CC)c2ccccc2F)CC1 180489438 BQEYVUYZCIADCD-QGZVFWFLSA-N 276.399 3.517 30 20 CHED Cc1nc(Nc2cnn(C(C)(C)C)c2)c(Cl)cc1C#N 359886363 ZUNPDBIVVPGVJR-UHFFFAOYSA-N 289.770 3.610 30 20 CHED C=CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccccc1 121948455 VNTSNTUHUSSYDB-UHFFFAOYSA-N 296.326 3.736 30 20 CHED CC[C@@H](CC#N)NC(=O)c1[nH]c2c(Cl)cccc2c1C 412254077 SCCUOHZMSBZJCP-JTQLQIEISA-N 289.766 3.552 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cncs1 414291114 ASFSLYKDJWMQTL-HIFRSBDPSA-N 272.417 3.981 30 20 CHED CN(CCC#N)C(=O)Cc1cc2c(ccc3ccccc32)o1 125025877 NHZAIIQNWJIYOK-UHFFFAOYSA-N 292.338 3.501 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(CC(F)(F)F)cc1 181748946 VLGRQYSGVSCEGB-UHFFFAOYSA-N 286.297 3.831 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@@H]1C[C@H]1c1cccs1 417333507 QHQGWVVXSSYGTH-GAGVYUBLSA-N 291.460 3.811 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(CCN3CCCC3)cc2)C1 185741673 MEVDCJNCODMKFK-IEBWSBKVSA-N 297.446 3.819 30 20 CHED CC1(C)CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 413108086 CXMATOCRHXGWTQ-UHFFFAOYSA-N 283.297 3.598 30 20 CHED Cc1c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cnn1C(C)C 188888108 KSZVSEZOENXIST-BQYQJAHWSA-N 299.330 3.577 30 20 CHED Cn1nccc1CSc1ccc(C#N)c(C(F)(F)F)c1 181054302 DVZKKZAVYNSWRX-UHFFFAOYSA-N 297.305 3.603 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@@H](C#N)C2CCCCC2)C1 506529282 ZZCLTDMBGMKZRB-YCPHGPKFSA-N 276.424 3.791 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(C#N)c(OC)c2)C1 442888927 ICJZGBOPCBZANV-KRWDZBQOSA-N 272.392 3.579 30 20 CHED C=CC[C@@H](CC)N[C@H](C)Cc1cc(OC)c(OC)cc1C 502355322 PJTBUBIKJVJSSJ-GDBMZVCRSA-N 291.435 3.888 30 20 CHED CC(C)CCOc1ccc(/C=C\C(=O)c2cnn(C)c2)cc1 214095669 WQNCQYCUVYGAOP-TWGQIWQCSA-N 298.386 3.741 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 180437103 VLRPWUDHBHJYLR-ZWKOTPCHSA-N 279.383 3.978 30 20 CHED CC[C@@H](CC#N)OC(=O)c1csc(-c2ccccc2)n1 188087298 OVOLBXBPNPTKRE-LBPRGKRZSA-N 286.356 3.659 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1C=CCCC1 189027365 GMJBMZGKMKPQEO-ZIAGYGMSSA-N 284.359 3.662 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2ccc(C)s2)c1 40917724 FVANRJRKQIHJEQ-SOFGYWHQSA-N 274.341 3.667 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1CCCC1(C#N)CCOCC1 410378565 MVEXHINGNJCXAL-IRXDYDNUSA-N 292.467 3.988 30 20 CHED C[C@]1(C(=O)Nc2cccc(CC#N)c2)C[C@@H]1c1ccccc1 412398519 GNMBTDCIDHCJOC-MJGOQNOKSA-N 290.366 3.885 30 20 CHED CC1(C)Cc2cc(/C=C/C(=O)c3ccncc3)ccc2O1 182247632 SHMDPDCRLKMBHM-HWKANZROSA-N 279.339 3.691 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC)no1 504252263 IEFXQPZCWRTVSY-UHFFFAOYSA-N 298.264 3.883 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(CC)cc(C)cc1CC 410805550 DINWBDOXBITXRI-CVEARBPZSA-N 287.403 3.649 30 20 CHED COC1(CCSCc2cc(C#N)ccc2F)CCC1 419497206 WIEXPPZQYAKULO-UHFFFAOYSA-N 279.380 3.890 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C)C1 508490935 ROVNVCLBYGWDBF-AWEZNQCLSA-N 296.418 3.676 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](SC)c1ccccc1 182592427 BAVGVTAEMFXQSZ-UKRRQHHQSA-N 277.433 3.952 30 20 CHED CC(C)(CCC#N)CNCCc1ccccc1Cl 174321942 PIRSRXYAQAXVRJ-UHFFFAOYSA-N 264.800 3.802 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1/N=C(/O)[C@@H]1CCC(=O)c2cccn21 329869744 ZHKJHUGTORERRD-OSFYFWSMSA-N 288.391 3.787 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1C 41545220 AJKGUHYOGIHLCQ-CQSZACIVSA-N 290.322 3.935 30 20 CHED CCc1ccccc1NC(=O)CSc1ccc(C#N)cc1 509680395 REUZDNWHVJEQDF-UHFFFAOYSA-N 296.395 3.851 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CCC[C@H](C(F)(F)F)C1 329459101 RHEIPXNUGJLPBY-ZJUUUORDSA-N 287.285 3.742 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)CCC1 190594948 JXWSMRVUAWEZDN-IRXDYDNUSA-N 299.414 3.627 30 20 CHED Cc1nnc([C@H](C)/N=C(/O)C[C@@H]2C[C@H]3CC[C@H]2C3)s1 329769006 FCVXUAOLEMVBNU-VGDYDELISA-N 279.409 3.690 30 20 CHED C[C@H]1CCc2nc(N=C(O)CC[C@H]3CCOC3)sc2C1 329626516 VMFKEQRSADYABC-QWRGUYRKSA-N 294.420 3.673 30 20 CHED CC(C)CC(C)(C)C(=O)N1CCc2c(C#N)cccc21 421658297 SEUJCLKSJUHUTN-UHFFFAOYSA-N 270.376 3.520 30 20 CHED O=C(/C=C/c1cccnc1)c1cc2c(s1)CCCC2 132093894 NJNZQPKMNDNMBL-BQYQJAHWSA-N 269.369 3.918 30 20 CHED N#Cc1cccnc1NCCc1c(Cl)cccc1Cl 48893930 BUVQZUKDXYQKBW-UHFFFAOYSA-N 292.169 3.915 30 20 CHED N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)c1ccccn1 41492352 LLMOWABMCZGRFU-CQSZACIVSA-N 284.746 3.544 30 20 CHED C=CCC1(c2nc(Cc3ccccc3OC)no2)CCC1 516859903 QGJWMWOGSKYXNN-UHFFFAOYSA-N 284.359 3.667 30 20 CHED CC(C)[C@@H](NCc1ccc(C#N)s1)c1cccnc1 421878266 LVSXEYCNEDNIAY-OAHLLOKOSA-N 271.389 3.502 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1C 45466787 TXWAHTYWOMNNJF-UHFFFAOYSA-N 292.382 3.919 30 20 CHED C=C(C)CCN[C@H](Cc1ccncc1)c1cccs1 424354215 SFIKUJFWYVBMCJ-OAHLLOKOSA-N 272.417 3.983 30 20 CHED CN(Cc1ccccc1Cl)c1nc2c(cc1C#N)CCC2 42246259 CALIBVCUBSYEAQ-UHFFFAOYSA-N 297.789 3.732 30 20 CHED CCCCN(CCCC)C(=O)c1cc(C#N)cs1 84075631 UHDLRBXZACCZPH-UHFFFAOYSA-N 264.394 3.662 30 20 CHED C[C@]1(N/C(O)=N/[C@@H]2CCCCC23CCCC3)CCCOC1 329792260 FJAJZDNAOYZPCH-ZBFHGGJFSA-N 294.439 3.562 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 425270373 FYYPSEBYNWWSDT-DTWKUNHWSA-N 299.252 3.718 30 20 CHED CCC[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1ccccn1 339225328 HJHFZFSZLLYVFO-RDJZCZTQSA-N 299.418 3.554 30 20 CHED CC(C)Oc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 143448374 SXTQXENSCGNIJT-UHFFFAOYSA-N 294.354 3.622 30 20 CHED O/C(=N/CC(F)F)Nc1ncc(C2CCCCC2)s1 330808089 NJKXDUAOMLVQLC-UHFFFAOYSA-N 289.351 3.782 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1C 336510905 YTAJNLSQRZNPKL-AWEZNQCLSA-N 278.355 3.917 30 20 CHED C=CCC(C)(C)c1noc([C@@H](CC(C)C)OC)n1 420504684 PGXKKVSUHNGOSU-LLVKDONJSA-N 252.358 3.657 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 425610250 LQSWFQWLZBCPFI-OWCLPIDISA-N 299.418 3.698 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 230951011 DKYOALUAEDIVJJ-RBSFLKMASA-N 296.455 3.719 30 20 CHED CC1(C)CCCc2cc(C#N)c(NCc3ccccn3)nc21 428115423 MDLNFGNMSODEKI-UHFFFAOYSA-N 292.386 3.574 30 20 CHED C=CCc1cc(CN[C@@H]2CCC[C@@H]2C)cc(OC)c1OC 237191602 YCBSSPKGDHMBPX-XJKSGUPXSA-N 289.419 3.711 30 20 CHED CC[C@@H](F)Cn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 334476867 OGFFSHJEYRZFPH-LLVKDONJSA-N 292.741 3.583 30 20 CHED Cc1ccc(C[C@H](C)NCc2cccc(C#N)c2)c(C)c1 237546285 NLDRRGZJQQUQOE-INIZCTEOSA-N 278.399 3.896 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(Cl)cc1C 96538388 GVYICRFRTRQGJM-UHFFFAOYSA-N 269.797 3.896 30 20 CHED Cc1cc(Cl)c(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1Cl 334542693 YOMHHRBISGKANG-AMIZOPFISA-N 283.158 3.790 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@H]2c2ccsc2)n1 267228304 PLKDNROGNCLMGP-HNNXBMFYSA-N 283.400 3.973 30 20 CHED C=CCC[C@@H](NCc1cccc(N(C)C)c1)C1CC1 438985700 OIWYLJNQLHYPPQ-QGZVFWFLSA-N 258.409 3.587 30 20 CHED CCCC(CCC)SCC(=O)N(CC)C[C@H](C)C#N 520165429 YUZHENCRICQCLH-CYBMUJFWSA-N 284.469 3.697 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)CCC(C)(C)C 437497735 OZTCDCLFQKPEOK-ZNMIVQPWSA-N 281.440 3.546 30 20 CHED COc1ccc([C@H](C)CCN[C@@H]2CCC[C@@H](C#N)C2)cc1 248701101 AFQASXFVDZHIMK-BFYDXBDKSA-N 286.419 3.861 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(F)c(F)c2)no1 347034493 BRWPDQHSOYEPEA-UHFFFAOYSA-N 287.269 3.669 30 20 CHED N#Cc1ccncc1N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 435576881 XEYZGGAIAFANNY-SMDDNHRTSA-N 287.725 3.714 30 20 CHED COc1cccc(C[C@@H]2CCCCCN2CCCC#N)c1 528749383 MQPNIKVESVKFEN-KRWDZBQOSA-N 286.419 3.786 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H](CC)C1 525362330 XGZUHEFVDYZSON-LSDHHAIUSA-N 287.403 3.950 30 20 CHED CCCOC1(c2noc(C3(C#N)CCC3)n2)CCCCC1 347322424 KZONUEBNRPUUOM-UHFFFAOYSA-N 289.379 3.601 30 20 CHED C=C[C@H]1CCCCN1c1ccnc2c([N+](=O)[O-])cccc12 432150061 ATEHOCGLNQNZEB-LBPRGKRZSA-N 283.331 3.688 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 521894590 UAVCPUXAJAXMCX-KXBFYZLASA-N 291.398 3.579 30 20 CHED C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1)CC(C)C 346900021 AUEGCNUMAUKHHO-INIZCTEOSA-N 289.419 3.652 30 20 CHED C[C@H](NC(=O)NC1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 523567339 XSKZQHRLXBLUJI-MCIONIFRSA-N 299.418 3.743 30 20 CHED CCc1ccc([C@@H]2CCN(c3cccnc3C#N)C2)cc1 431505970 KYKCVANHTQXBIH-MRXNPFEDSA-N 277.371 3.510 30 20 CHED COc1cc([C@H](C)NCCCCC#N)ccc1OC(C)C 341645457 SFPDQYIZMOMDDI-AWEZNQCLSA-N 290.407 3.827 30 20 CHED C=CCCCCCN(C)C(=O)c1cn(C)c2ccccc12 606881425 MLKIWANQHIMTMC-UHFFFAOYSA-N 284.403 3.997 30 20 CHED CC(=O)Nc1cccc(N[C@@H](C#N)Cc2ccccc2)c1C 603585114 IFDVPBJIQPCNPU-MRXNPFEDSA-N 293.370 3.500 30 20 CHED COC[C@H](C)N(CC1(CC#N)CC1)[C@H]1CCc2ccccc21 602915350 BGRRIFHUIBGEAL-YJBOKZPZSA-N 298.430 3.705 30 20 CHED CSc1ccc(F)cc1CNc1c(C#N)cccc1C#N 436390759 QHLSDOMWBXQDJW-UHFFFAOYSA-N 297.358 3.903 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(C(F)(F)F)cn1 342122628 GQDKEWIIESYXIH-ZDUSSCGKSA-N 270.298 3.641 30 20 CHED C=CCCCS[C@@H](C)C(=O)N1CCc2ccccc2C1 344523431 AZXHPMLBWQXFEV-AWEZNQCLSA-N 289.444 3.659 30 20 CHED Cc1ccc(NC(=O)CSCCC(C)(C)C#N)c(F)c1 342000591 HMZKRBMSTSNCGQ-UHFFFAOYSA-N 294.395 3.746 30 20 CHED C=CC[C@@H](CO)CN[C@H]1CCCCc2ccc(Cl)cc21 341884699 WJQOUWZJVHDGRT-DYVFJYSZSA-N 293.838 3.882 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@H](C)CCC#N 602443167 HCPYCJHWYVZUJE-HNNXBMFYSA-N 269.392 3.710 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1cc(C#N)cs1 444451851 WZWRAYBOMVINGS-UHFFFAOYSA-N 281.340 3.662 30 20 CHED C=CCN(C(=O)c1ccc(C)c(C(F)(F)F)c1)C1CC1 528960151 KLAMAMASRDUCKV-UHFFFAOYSA-N 283.293 3.804 30 20 CHED C=CCCC[C@@H](C)N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1 440559649 RAYMYJRLVKYJJC-LTIDMASMSA-N 263.425 3.622 30 20 CHED C=CC1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 600683061 HYEBFYDARIYDQK-LLVKDONJSA-N 251.320 3.924 30 20 CHED CC#CCCNC(=O)c1sc2cc(C)c(C)cc2c1C 446276545 PGQRFJULKXRHPL-UHFFFAOYSA-N 285.412 3.970 30 20 CHED Cc1cc(CN(C)Cc2cccc(C#N)c2F)ccc1F 444726319 AUSAHWUWHWIQBQ-UHFFFAOYSA-N 286.325 3.777 30 20 CHED CC(C)(NCC1(CC#N)CC1)c1ccc(Cl)cc1 602786463 FWEQHIJVYLFIND-UHFFFAOYSA-N 262.784 3.859 30 20 CHED CC(C)OC1CCN(CC#Cc2cccc(Cl)c2)CC1 533338712 ARNCMPGANCFCMG-UHFFFAOYSA-N 291.822 3.581 30 20 CHED C=CCCCC[C@H](C)NCC1(CC)CCOCC1 449176279 QHJWWHKISSVPSM-HNNXBMFYSA-N 253.430 3.918 30 20 CHED C=CCCCNC(=O)NCc1ccc(C)cc1OCCC 447964733 RBJCTLJLZOFPHN-UHFFFAOYSA-N 290.407 3.549 30 20 CHED CCC(CC)c1cc(C(=O)N[C@@](C)(C#N)CC(C)C)on1 531902554 HSZDPEUHIOYJQT-MRXNPFEDSA-N 291.395 3.636 30 20 CHED CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1OC(F)F 537855026 RIELNDASIAXVNS-FZMZJTMJSA-N 294.345 3.923 30 20 CHED C=CCC1(NC(=O)CCc2cccc(OC)c2)CCCC1 619114787 NOSZMKYUYOBHLA-UHFFFAOYSA-N 287.403 3.633 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(C2(C#N)CCCC2)n1 356582508 SFXGNYBTGIZBPT-NEPJUHHUSA-N 259.353 3.699 30 20 CHED Cc1ccc([C@@H]2CCN(c3ncccc3C#N)C2)c(C)c1 359850565 DPKRPCSIDAJVGB-MRXNPFEDSA-N 277.371 3.564 30 20 CHED CCCCc1ccc([C@H](C)NC2CCN(CC#N)CC2)cc1 610812716 KZCHXGSNYNYXKA-INIZCTEOSA-N 299.462 3.668 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCO[C@@H](CC(C)C)C1 538581964 WTJUJKGVHBJEOD-JONQDZQNSA-N 253.430 3.770 30 20 CHED N#Cc1cnccc1/C=C\c1cc(O)cc(C(F)(F)F)c1 357083298 YFPZNUOTJUXIOP-UPHRSURJSA-N 290.244 3.848 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC[C@H]1C 448593526 BFCVXJYHTMRMSX-VNHYZAJKSA-N 270.376 3.763 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 449202389 FZVWWTOOOASEGB-JJXSEGSLSA-N 263.425 3.669 30 20 CHED Cc1ccc(NCc2ccc(C#N)cc2F)c(CN(C)C)c1 269389715 CGJMVLRVZOEMJB-UHFFFAOYSA-N 297.377 3.680 30 20 CHED CCOc1ccc(CSc2ccc(C#N)cc2)nc1 610585621 XJQQWHLBJANYMA-UHFFFAOYSA-N 270.357 3.644 30 20 CHED CC[C@H](F)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 440788341 VPSGOPKMAUUVFO-XHSDSOJGSA-N 260.356 3.506 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 354887702 IDPZLWANGAZNRD-CZUORRHYSA-N 299.418 3.572 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(Oc2ccncc2)c1 353476688 MZHMZYBAQIXAPQ-UHFFFAOYSA-N 295.342 3.752 30 20 CHED N#Cc1cc(F)ccc1NC(=O)N[C@H]1CC12CCCCC2 357007756 FKOPUKXBFKGLTK-AWEZNQCLSA-N 287.338 3.542 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc3cccnc23)C1 617788664 OMTXGCBVFGQAQX-CQSZACIVSA-N 280.371 3.663 30 20 CHED CC[C@@H]1CN(c2cnccc2C#N)CC[C@H]1c1ccccc1 536684887 GYYLHUWUKUCASL-CRAIPNDOSA-N 291.398 3.973 30 20 CHED C=CCN(C(=O)N[C@@H]1CCc2c(Cl)cccc21)C1CC1 537914000 LMIIJIAGNLKGMM-OAHLLOKOSA-N 290.794 3.687 30 20 CHED CCCCN(C)C(=O)Nc1ccc(CC#N)cc1Cl 455704481 AGPFTRVYYQELRU-UHFFFAOYSA-N 279.771 3.670 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1cnn(CC2CC2)c1 611476753 PAXZQLRCPOHNQI-GOSISDBHSA-N 292.386 3.654 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 452783145 LVUOHDOQTAARKO-QWHCGFSZSA-N 277.795 3.772 30 20 CHED C[C@@H]1CCC[C@@H]1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 456031682 IUMKEPLOEFMGGY-RHSMWYFYSA-N 298.430 3.679 30 20 CHED C=CCC1(c2nc(Cc3cscn3)no2)CCCCC1 453059087 APXHAAFXSFLJEI-UHFFFAOYSA-N 289.404 3.895 30 20 CHED CC(C)(C)c1noc(C(C)(C)Cc2ccc(C#N)cc2)n1 453136213 AXISDHUSXWMRIX-UHFFFAOYSA-N 283.375 3.759 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@@H](C2CC2)C1)c1ccccc1 364417647 QHIDNYLJWCJNBB-IAGOWNOFSA-N 269.388 3.605 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cc(F)c(C)cc1F 450420213 BPAUILPITRTQHV-LBPRGKRZSA-N 281.346 3.677 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N(C)c2ccccc2C#N)C1(C)C 610795829 OOGMNFRQPFFOLZ-GDBMZVCRSA-N 282.387 3.759 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(SC)cc1 453375925 XNQWYICOLXOLHQ-WQVCFCJDSA-N 277.433 3.793 30 20 CHED Cc1c(F)cccc1N[C@H](C#N)Cc1ccccc1 610411827 VOJGXJUIOCDWEC-AWEZNQCLSA-N 254.308 3.681 30 20 CHED Cc1ccc2c(c1)CCN(Cc1cc(C#N)ccc1F)C2 361850418 JMDRJXKACQJUSI-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C[C@H](CCc1n[nH]c2ccccc12)Nc1cccc(C#N)c1 543110927 LLVOHLXDZSBJRU-CYBMUJFWSA-N 290.370 3.868 30 20 CHED Cc1ccc(CCN[C@H](C)c2ccc(C#N)c(F)c2)cc1 540708795 CJAUUMSCPMGJCJ-CQSZACIVSA-N 282.362 3.899 30 20 CHED CCc1nc(C[S@](=O)CCCCC(C)(C)C#N)cs1 277833504 KCZDZHKJNQIACX-LJQANCHMSA-N 298.477 3.674 30 20 CHED C=CCCCC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 272507084 OHOVLIQQOXTJKW-OAHLLOKOSA-N 289.423 3.827 30 20 CHED CC1(CNC(=O)N2CCC(CC#N)CC2)CCCCCC1 541918738 LMKXASVWBQFLJY-UHFFFAOYSA-N 291.439 3.682 30 20 CHED C=CCC[C@@H](NCCc1scnc1C)c1ccco1 453303379 FYQHTMHZXKJZQJ-CYBMUJFWSA-N 276.405 3.884 30 20 CHED CCCCN(C(=O)c1ncc(C#N)cc1Cl)[C@@H](C)CC 459967215 RFSWGYDHZKZMFY-NSHDSACASA-N 293.798 3.647 30 20 CHED CC1(C)CC=C(C(=O)Nc2cccc(C#N)c2)CC1 454209348 SJLOSRMGYFDOKF-UHFFFAOYSA-N 254.333 3.633 30 20 CHED C=CCCc1noc(Cc2cccc(OCCC)c2)n1 453235519 MEAYMMMZQJGWQT-UHFFFAOYSA-N 272.348 3.568 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2cc(C)on2)CCCC1(C)C 277503117 BIKYEQPDJJZNIT-LBPRGKRZSA-N 277.368 3.582 30 20 CHED CC[C@@H]1C[C@H]1CNC(=O)c1sc2ccc(C#N)cc2c1C 452766999 OYPQIMYJUJEDFZ-OLZOCXBDSA-N 298.411 3.857 30 20 CHED Cc1c(C(=O)N[C@@](C)(C#N)C(C)(C)C)oc2ccccc12 274354141 RRSIOXVNKDBSTK-KRWDZBQOSA-N 284.359 3.799 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1)c1ccccc1 456317477 XXXBARRYWHMIJD-WNYOCNMUSA-N 295.426 3.993 30 20 CHED Cc1ccnc(N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1C#N 542205977 TZAKELSBXNFOFX-DZKIICNBSA-N 269.392 3.667 30 20 CHED C=CCCN(C)C(=O)CCOc1ccc2ccccc2c1 468189175 WACTWQJZPBXGPT-UHFFFAOYSA-N 283.371 3.643 30 20 CHED C=CCC[C@@H](NCc1occc1C(=O)OC)c1ccccc1 271745818 RBKKCVNRMUNMQK-MRXNPFEDSA-N 299.370 3.863 30 20 CHED N#CCc1ccc(CN2CCC[C@@H]2Cc2ccccc2)cc1 542210168 QCTXLLIUHKFBGO-HXUWFJFHSA-N 290.410 3.960 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)c1cccc(Br)c1 462124386 FCWHOLXYHLRJFL-GHMZBOCLSA-N 296.208 3.633 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2CCCC(F)(F)C2)c1 281986029 SOBTVZFWHDGYAI-LBPRGKRZSA-N 292.329 3.998 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCC[C@H](C)c1ccccc1 280779341 PPSLSHYCHRLSOZ-SZMVWBNQSA-N 273.420 3.751 30 20 CHED CCC[C@@H](C(=O)NCC(C)(C)CCC#N)C(C)C 557983319 DTVZQFPIUZUOSF-CYBMUJFWSA-N 252.402 3.505 30 20 CHED C#CCCCN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 378106317 XTDWVKOHUUQFBM-SDDRHHMPSA-N 267.825 3.897 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)c1cc(C#N)ccn1 557514305 IIGJAUWKEOHXPK-UHFFFAOYSA-N 292.169 3.896 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(Cl)s2)no1 288989994 GDTRUFJTHUEGGO-LLVKDONJSA-N 267.741 3.643 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)CC1CC(c2ccccc2)C1 282084101 ANSOQNCUKCTWPY-BCLQGDPASA-N 284.403 3.625 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@H](C)c1ccccc1 280815526 MPYUNIZGYMFHJA-IDCNUPLLSA-N 273.420 3.749 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1cc(C#N)ccc1OC 280878282 ZYSADIJBXDGKQH-INIZCTEOSA-N 274.364 3.722 30 20 CHED COc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)c1 462043384 YPQFDYXKZULVPX-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 634505780 SIHHNXYIYCIUFX-MGPQQGTHSA-N 297.320 3.803 30 20 CHED C[C@H](CNc1ccc(F)cc1C#N)N(C)c1ccccc1 462790557 OENWJWXHZWWJOC-CYBMUJFWSA-N 283.350 3.634 30 20 CHED C=CCC[C@@H](NCC[C@H]1CCCCO1)c1ccco1 285996827 HHTORYWGUJNJCW-HUUCEWRRSA-N 263.381 3.836 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC[C@H]1CCCO1 468413937 CDTLGRAHKWQPPA-OAHLLOKOSA-N 276.376 3.680 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(C)c2ccccc12 556844667 AKMJANJHERWSDV-CYBMUJFWSA-N 266.344 3.570 30 20 CHED CCCCOc1ccccc1CN(C)CC(C)(C)C#N 552316903 RZAHYYMODVFNCC-UHFFFAOYSA-N 274.408 3.847 30 20 CHED Cc1ccc([C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)cc1 294560065 ZDKOXIFNELMQEI-KBXCAEBGSA-N 282.387 3.646 30 20 CHED C=CCC[C@@H](N[C@@H]1CCN(C2CCCC2)C1)c1ccco1 552045791 PBWVELAZOVMXBQ-NVXWUHKLSA-N 288.435 3.893 30 20 CHED CCCC1CCC(N(C)C(=O)c2ncc(C#N)cc2C)CC1 556792542 VVYCGDLDJSAIHC-UHFFFAOYSA-N 299.418 3.693 30 20 CHED C[C@H](CCC#N)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 298142702 OHVLZGQOFSMAEF-IAQYHMDHSA-N 296.773 3.545 30 20 CHED C=C(C)COc1cccc(N[C@@H](C)C2CCOCC2)c1 474388522 FCYAFURJQQIWST-AWEZNQCLSA-N 275.392 3.869 30 20 CHED C=CC(C)(C)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 296018457 YXOGOWWDCLJSMO-TZMCWYRMSA-N 275.367 3.742 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H](c2cccc(F)c2)C1 560677554 YGULSOGLLXIHRE-HNNXBMFYSA-N 298.336 3.826 30 20 CHED CC(C)c1ccc(C(=O)OCCCSCC#N)cc1 805336825 CBDLALJSEUSJKD-UHFFFAOYSA-N 277.389 3.614 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(OCc3cscn3)c2)C1 562525272 YYBDBCHRRJMSLF-JSGCOSHPSA-N 299.399 3.826 30 20 CHED C=CCC[C@H](O)CN(CCC)[C@H](C)c1ccccc1OC 472795702 RTPKNCGSPCNFCU-CVEARBPZSA-N 291.435 3.795 30 20 CHED C=CCCCCCCCCNC(=O)[C@@]1(C)CCCOC1 807842925 AVPHPBLMNYJWEV-KRWDZBQOSA-N 281.440 3.836 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 471702089 LWDWGWFFZRKABG-ZQDZILKHSA-N 287.403 3.979 30 20 CHED C[C@@H](NC(=O)[C@H]1CC12CCCCC2)c1ccc(C#N)cc1 477333297 SGSXUYDULPVRRR-CZUORRHYSA-N 282.387 3.706 30 20 CHED Cc1cc(CS[C@H](C)C(=O)OC(C)(C)C)ccc1C#N 479703300 IQAIYNDEOZKNRU-GFCCVEGCSA-N 291.416 3.830 30 20 CHED C#Cc1ccc(CN2CCC(c3ccc(O)cc3)CC2)cc1 809543229 QEPBKACCWTUYDZ-UHFFFAOYSA-N 291.394 3.753 30 20 CHED C#Cc1ccc(CNc2cn(C)nc2-c2ccccc2)cc1 809637848 QDLNTEFVYHMZKP-UHFFFAOYSA-N 287.366 3.681 30 20 CHED C=CC1CCN(C(=O)Nc2c(Cl)cccc2OC)CC1 640723398 ZKKROBJDWYRVFE-UHFFFAOYSA-N 294.782 3.779 30 20 CHED Cc1cccc(CN(C)C(=O)C2(C#N)CCCCC2)c1C 560954667 MLMXWKWRRXJIJU-UHFFFAOYSA-N 284.403 3.736 30 20 CHED CC(C)Oc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1C#N 560194412 RTCWOFFWJATCPA-DVOMOZLQSA-N 298.386 3.720 30 20 CHED Fc1ccccc1CCNN=C1CC[C@H]1C1CCC1 814875699 SHKQOBJNOPNLEB-AWEZNQCLSA-N 260.356 3.524 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(OC)c(Cl)n2)n1 815704784 PWYGXOYADQVVMK-UHFFFAOYSA-N 293.754 3.647 30 20 CHED CCC(C[C@H](C)CC)=NNc1nc(-c2cccnc2)no1 814950026 NEWPPAUDNOPLBG-LLVKDONJSA-N 287.367 3.746 30 20 CHED C=CCCCCCCCNC(=O)c1cncc(C)c1 811590095 PBBZWYRLIRBILR-UHFFFAOYSA-N 260.381 3.646 30 20 CHED Clc1ccccc1CNN=Cc1cccnc1Cl 814812761 LYDXZBKRVWOTJI-UHFFFAOYSA-N 280.158 3.512 30 20 CHED CC(C)c1nc(CN(C[C@@H](C)C#N)C2CC2)c2ccccn12 569250575 SJBUVPWEGKKQKL-AWEZNQCLSA-N 296.418 3.582 30 20 CHED CC(CCc1cccc(F)c1)=NOCCOC(C)C 812240464 RPTSHCMQQXBNTL-UHFFFAOYSA-N 267.344 3.576 30 20 CHED Clc1ccc(C#CCN2CCCc3occc3C2)cc1 561792455 PIFKDBNTNJVDGZ-UHFFFAOYSA-N 285.774 3.733 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)CCCC(F)(F)F)CC1 480210380 QLVUMUWAZILBCF-ZDUSSCGKSA-N 292.389 3.738 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)OCC(C)C)n1 560029444 QKINFPKHTISNKM-LLVKDONJSA-N 252.358 3.657 30 20 CHED Clc1ccc2c(c1)C(=NNC[C@H]1CCSC1)CCC2 811658580 HGUOFUHKZYJDPT-LLVKDONJSA-N 294.851 3.723 30 20 CHED COc1cccc(O)c1/C=N/CCSc1ccccc1 812396911 FTOKLYKTZBLYPG-SFQUDFHCSA-N 287.384 3.612 30 20 CHED C[C@H](NN=Cc1ccc(OCC2CC2)cc1)c1ccncc1 819817142 WLYZMTFEBJIHIL-AWEZNQCLSA-N 295.386 3.555 30 20 CHED N#C[C@@H]1CCCC(=NNc2nc3ccccc3s2)C1 814686410 DMGHFRXMBLJMKA-SNVBAGLBSA-N 270.361 3.778 30 20 CHED COc1cccc(NN=Cc2ncc(C(C)(C)C)s2)c1 814778496 IIQACABDHUISEF-UHFFFAOYSA-N 289.404 3.895 30 20 CHED N#CCC[C@@H](NC/C=C\c1ccncc1)c1ccccc1 487576209 SVVUQXCOQNZDKG-OOFWQKGWSA-N 277.371 3.729 30 20 CHED C=C(C)CCc1noc([C@H]2CCc3cc(C)ccc3O2)n1 572406587 IXZLRZGURBSAGY-OAHLLOKOSA-N 284.359 3.953 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@](C)(C#N)C(C)(C)C 483978376 NVSSJSCMLCHZRE-DVOMOZLQSA-N 264.413 3.647 30 20 CHED C=CCCCCCN(C)[C@H]1CCc2ccccc2NC1=O 483963031 XOIFGTCRQAFDDO-KRWDZBQOSA-N 286.419 3.618 30 20 CHED C=CCN(C(=O)C[C@H]1C=CCCC1)c1ccccc1 487553421 CDFHBDKBJMPYHL-HNNXBMFYSA-N 255.361 3.952 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCCCC12CCCC2 816781661 RMFKHAXQKSVGJC-LBPRGKRZSA-N 271.351 3.817 30 20 CHED Cc1cccc(C(C)(C)CNc2cccnc2C#N)c1 570893775 YKCZOQBBVNLLCC-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=CCC(C)(C)CNC(=O)CCCc1ccsc1 814419934 DEMNUCARVHSDAC-UHFFFAOYSA-N 265.422 3.789 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 481860890 IVKADNOMTFSKRT-DZKIICNBSA-N 290.794 3.703 30 20 CHED CC[C@H](NC[C@@H](C(C)C)N1CCCC1)c1ccc(C#N)cc1 579915763 QTSMCMDIXKDCBS-OALUTQOASA-N 299.462 3.719 30 20 CHED C=CCC(C)(C)CNC(=O)CCCOCc1ccccc1 489860468 RZBBPDVQLOHKPK-UHFFFAOYSA-N 289.419 3.702 30 20 CHED CCN(Cc1ccc(C#N)cn1)[C@H](C)c1ccc(F)cc1 573264279 ZAXSCDQDZZRCPM-CYBMUJFWSA-N 283.350 3.675 30 20 CHED CC[C@@H](C#N)OC(=O)CCCc1ccc(SC)cc1 829624688 NKBXNFVFDVCIJT-ZDUSSCGKSA-N 277.389 3.577 30 20 CHED COc1ccccc1C=NNc1cccc2cnccc12 728432057 LVANHMANHXOGBB-UHFFFAOYSA-N 277.327 3.689 30 20 CHED N#Cc1ccc(SCCCOc2ccc(F)cc2)nc1 495271524 FUKYJUKTHROCLS-UHFFFAOYSA-N 288.347 3.654 30 20 CHED CC[C@H](COC)Nc1ccc(OC(C)(C)C)c(C#N)c1 824722445 SVZCBLITBWAPLK-CYBMUJFWSA-N 276.380 3.572 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(C2=CCCC2)cc1 582759699 JHPCHGYOSFDKLD-INIZCTEOSA-N 268.360 3.676 30 20 CHED N#CCCCCCC(=O)Nc1ccc(OCC(F)F)cc1 588160321 DCPMVKXUWLMTNU-UHFFFAOYSA-N 296.317 3.743 30 20 CHED CCc1onc(C)c1C=NNc1ccc(Cl)cc1C 901278977 YAZNHUFXOMOZOK-UHFFFAOYSA-N 277.755 3.953 30 20 CHED N#CCOc1cccc(/C=C\C(=O)C2CCCCC2)c1 730151960 VPCDSPZUBUBZPL-KTKRTIGZSA-N 269.344 3.752 30 20 CHED C=CCCC[C@@H](N)c1nc(Cc2cccc(Cl)c2)no1 900003778 PEEORKDJSYPTRD-CYBMUJFWSA-N 291.782 3.670 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 737037403 MPLXBYDEPYJOFF-ZDUSSCGKSA-N 298.789 3.965 30 20 CHED C/C=C/C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731331438 FXNCQXPSUKLACX-DUXPYHPUSA-N 278.311 3.865 30 20 CHED Cc1cccc(C=NNc2nc3ccccc3[nH]2)c1C 731149062 HIIGUCAPGJOVIT-UHFFFAOYSA-N 264.332 3.626 30 20 CHED CCO[C@@H]1CCC[C@@H](Nc2ccccc2O[C@H](C)C#N)C1 902946239 ZAAHXAZPPDLJFN-RBSFLKMASA-N 288.391 3.737 30 20 CHED CC(Cc1ccccn1)=NNc1cc(C)cc(C)c1 834929646 RVFZVOZLJPQMMY-UHFFFAOYSA-N 253.349 3.729 30 20 CHED CCc1cc(NN=C2CCC[C@@H]2C)nc(-c2ccccn2)n1 730464172 JDFWGFKONFXJEI-LBPRGKRZSA-N 295.390 3.689 30 20 CHED CCc1ccc2ccccc2c1CNC(=O)CCCC#N 831125214 SLYAZPIIQIZIKN-UHFFFAOYSA-N 280.371 3.712 30 20 CHED COc1ccc(CCNN=C(C)c2cccc(C)c2)cc1 737440785 PIHZLENVBVHVTP-UHFFFAOYSA-N 282.387 3.560 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@H](c1ccncc1)C1CC1)CC2 903428165 MWMZJBZERRGLCJ-OALUTQOASA-N 289.382 3.681 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cccc(Cl)c2)C1 839044190 PQHWCYXHUPTIGB-GWCFXTLKSA-N 263.724 3.579 30 20 CHED CC1(NC(=O)CCCCCC#N)CCC(F)(F)CC1 588959702 CLRMNMMZIBRWQF-UHFFFAOYSA-N 272.339 3.545 30 20 CHED N#Cc1ccccc1OCc1ccc2ncccc2c1 20248358 MOAHFUVZHCWQLD-UHFFFAOYSA-N 260.296 3.685 30 20 CHED Cn1cncc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 901418880 QWJSJZFGPIQBEL-MDZDMXLPSA-N 268.360 3.614 30 20 CHED C=CCCNC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 661570655 QKWLDAQVDPQCSN-AWEZNQCLSA-N 290.382 3.681 30 20 CHED Cc1nc(-c2cccc(NC(=O)C#CC(C)(C)C)c2)oc1C 837355353 MUCATAJFEYABJF-UHFFFAOYSA-N 296.370 3.946 30 20 CHED CC(C)(C)C#CC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 837600042 ACEUZINIHNSXGE-QZTJIDSGSA-N 293.410 3.883 30 20 CHED N#Cc1csc(/C=C/c2nc3c(s2)CCCC3)n1 901544857 VFJOPFGLOWZLRM-AATRIKPKSA-N 273.386 3.520 30 20 CHED Cc1ccccc1-c1cccc(C=NNc2cccnn2)c1 735974739 NHYGCVHHEAXRCI-UHFFFAOYSA-N 288.354 3.898 30 20 CHED Cc1nc(Cl)cc(NN=C2CCCC23CCC3)n1 834962188 LNDYMBNEKAOGNI-UHFFFAOYSA-N 264.760 3.561 30 20 CHED CCC(=NNc1ccc(C)cc1Cl)[C@@H]1CCOC1 835012779 ZXPFSEPACUKUPG-LLVKDONJSA-N 266.772 3.863 30 20 CHED C[C@](C#N)(NC(=O)/C=C\c1cccs1)C1CCCCC1 734240924 WRCSMEGQSYEDAI-ZBTGYSDGSA-N 288.416 3.740 30 20 CHED CC[C@H](NC(=O)N(C)CC(C)(C)C#N)C1CCCCC1 590921957 FRFNPGHORPYOQD-AWEZNQCLSA-N 279.428 3.536 30 20 CHED C[C@H](CC(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 839043170 KIQHLDBMCZWHKK-FMKPAKJESA-N 271.360 3.806 30 20 CHED C[C@H](CCCc1cccnc1)OC(=O)c1ccc(C#N)cc1 835926354 FAMFFICQPQNQJK-CQSZACIVSA-N 294.354 3.521 30 20 CHED CCN(C(=O)[C@@H](C)Sc1ccc(Cl)cc1)[C@@H](C)C#N 598354806 UFYFVLZZSYKCIN-WDEREUQCSA-N 296.823 3.581 30 20 CHED C=CCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)C(C)C 914683644 WLWKNJPNXDICLM-UHFFFAOYSA-N 297.402 3.526 30 20 CHED CC1(C)CCN(C[C@H](C#N)CCC#N)CC(C)(C)C1 595748827 IDBZQHHNIFRORI-AWEZNQCLSA-N 261.413 3.578 30 20 CHED N#Cc1csc(C(=O)N2CC[C@H](C3CCCCC3)C2)c1 598152080 CZVNZQQKLJCXQI-AWEZNQCLSA-N 288.416 3.662 30 20 CHED Cc1ccc(C=NNC(=S)Nc2ccccc2C)s1 915921030 LHHIXKIOWYDDOW-UHFFFAOYSA-N 289.429 3.685 30 20 CHED CC(=NOCc1cccnc1)[C@H]1C[C@H]2C=C[C@H]1CC2 842529231 RSGPIHAJRCYVRJ-CWRNSKLLSA-N 256.349 3.576 30 20 CHED CCCNC(=S)NN=Cc1ccc(-c2ccccc2)cc1 916357498 UOUHZKAEPWBGNT-UHFFFAOYSA-N 297.427 3.562 30 20 CHED C=C(C)COC(=O)CCSc1ccc(C)cc1 916586901 IYLYRENWNDRODF-UHFFFAOYSA-N 250.363 3.597 30 20 CHED C=C(C)CONC(=O)N[C@H](CC(C)C)c1ccccc1 844283725 DXOOIUVZTRCUPP-OAHLLOKOSA-N 276.380 3.581 30 20 CHED N#C[C@H](c1ccccc1)N1CCC(OC2CCCC2)CC1 595298046 NQNPYYNOGIUMKX-GOSISDBHSA-N 284.403 3.675 30 20 CHED C=CCCCC(=O)Oc1ccc(Br)cc1 748664881 RZFXULOWBXWGPA-UHFFFAOYSA-N 269.138 3.711 30 20 CHED CCC(=NNc1cccc(Br)c1)[C@@H]1CCOC1 741848409 UCSLZNVORVLWEM-SNVBAGLBSA-N 297.196 3.664 30 20 CHED CC(CCCCO)=NNc1cccc(Cl)c1Cl 841645178 LZGXQEHQDYQXGL-UHFFFAOYSA-N 275.179 3.944 30 20 CHED CC1(C)C[C@]1(NCc1ccccc1C#N)c1ccccc1 595907956 DDUSGLWRNRXMSC-IBGZPJMESA-N 276.383 3.973 30 20 CHED Cc1cc(C(=O)/C=C/c2ccnn2CC2CC2)c(C)s1 849242182 ACPJVLNPNTXHEW-AATRIKPKSA-N 286.400 3.868 30 20 CHED C[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@H](c2ccccc2)O1 595294419 MOXLIAWWSFSYDB-AYOQOUSVSA-N 292.382 3.713 30 20 CHED C#CCOc1cc(F)ccc1NCc1sccc1C 742376403 RPSFLTZHWXQYRM-UHFFFAOYSA-N 275.348 3.820 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCCc2cccs2)c1 840605201 KVPNXHDCKJPGHE-JKSUJKDBSA-N 297.379 3.509 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1coc2ccccc12 747755624 RXEJMTISYRILCC-UHFFFAOYSA-N 294.310 3.967 30 20 CHED CC1=C(C)C[C@@H](C(=O)Oc2cccc(OCC#N)c2)CC1 842822088 IYWPEENVQPTRSF-AWEZNQCLSA-N 285.343 3.631 30 20 CHED C=CCCCC(=O)Nc1ccc(OCC)c(OCC)c1 748285536 JFKMLBCYGLUVIF-UHFFFAOYSA-N 277.364 3.779 30 20 CHED c1ccc2c(c1)OCCC2=NNc1ccc2ccccc2n1 916285986 UNHTVWRSLSPLCN-UHFFFAOYSA-N 289.338 3.834 30 20 CHED CCN(Cc1csc(-c2ccccc2F)n1)[C@@H](C)C#N 595814668 WWUZEZQTJYTUGI-NSHDSACASA-N 289.379 3.683 30 20 CHED CCCCO[C@@H]1CC(=NOCc2cccnc2)C1(C)C 746577146 OMXQGWSISIIYPG-OAHLLOKOSA-N 276.380 3.569 30 20 CHED Cc1sc(NC(=O)c2cccc(C#N)c2)nc1C(C)C 597895616 ZMJCTSPHJVZENM-UHFFFAOYSA-N 285.372 3.699 30 20 CHED CC1(C#N)CN(Cc2ccc(-c3ccsc3)cc2)C1 593980429 FCSKSLNCKZNTLQ-UHFFFAOYSA-N 268.385 3.761 30 20 CHED C=CCSCCNc1nc2cc(C)nn2c2ccccc12 745170553 VSPVHSAAZHYXNI-UHFFFAOYSA-N 298.415 3.522 30 20 CHED C[C@H]1CC[C@H](C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 593149763 DYBQKWNTQAIVPW-AULYBMBSSA-N 290.794 3.654 30 20 CHED CCC(C)(C)CC(=O)[C@H](C#N)c1nc2ccccc2n1C 745948347 KUOJSEDXPWXSTR-LBPRGKRZSA-N 283.375 3.576 30 20 CHED CCC(CC)[C@@H](CC/N=C\c1cc(OC)ccc1O)OC 746521248 GBYFPXYRUJFVIN-ZCWPUFOUSA-N 293.407 3.661 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc(C2CC2)cs1)C1CCC1 842942286 ISDNTMANCYCSMK-BXKDBHETSA-N 274.389 3.633 30 20 CHED CCc1nc(SCCCSCC#N)sc1C 845325311 OCKRQSFHKDVIPZ-UHFFFAOYSA-N 272.464 3.753 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1F)c1ccccc1OC 840243087 IVDHYCPOEDYYRJ-AWEZNQCLSA-N 285.322 3.664 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)c2ccc(C)s2)c1 920173259 BFRUBDQNIMYLCS-UJFYRASASA-N 275.373 3.951 30 20 CHED C#CC[C@H](NC1CCC(OCC)CC1)c1ccccc1 850448724 OQPMLWNHASZUEQ-ABHNRTSZSA-N 271.404 3.688 30 20 CHED Cc1sccc1C(=O)O[C@H](C)CC(C)(C)C#N 851205785 LJKAVWJVKFGUSS-SECBINFHSA-N 251.351 3.542 30 20 CHED COc1cc(F)cc(NN=Cc2cc(C)ccc2OC)c1 759213047 UNYQLHOIRBNQAK-UHFFFAOYSA-N 288.322 3.597 30 20 CHED Cc1cccc(CC(=NOCC(F)F)C2CC2)c1 758907245 SUBAFQSCEYDBLD-UHFFFAOYSA-N 253.292 3.585 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(F)ccc2[N+](=O)[O-])s1 752873315 CFUAXTZVJRBKSF-ALCCZGGFSA-N 291.303 4.000 30 20 CHED Cc1nc(C=NNc2cccc(Cl)c2F)cs1 921137905 SRDJOBLLCKRHBO-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C=CCCOCc1nc(Cc2ccc(F)cc2Cl)no1 680691208 WKTPRFLTEKYFGB-UHFFFAOYSA-N 296.729 3.546 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 754432862 YBGQHASSFKPKLL-CHWSQXEVSA-N 294.443 3.856 30 20 CHED Cc1ccsc1/C=C/C(=O)c1cc(F)ccc1O 757468723 VCPGIYCTIZBWGW-SNAWJCMRSA-N 262.305 3.797 30 20 CHED C=C(Cl)COC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 753501548 CSEJCWVYTTUOML-UHFFFAOYSA-N 283.755 3.558 30 20 CHED C[C@H](CCC(=O)OCCCCC#N)c1ccccc1 750097871 YXMNINKFIHUPTH-CQSZACIVSA-N 259.349 3.807 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cnc(F)c(C)c1 857586862 TZGOTZHNVNLUIL-UHFFFAOYSA-N 290.382 3.738 30 20 CHED CSc1ccc(C=NN2CCCC[C@@H]2C)s1 853381803 LYUJUYZFAMJPFJ-JTQLQIEISA-N 254.424 3.678 30 20 CHED CCCc1ccc(/C=C\C(=O)c2cnn(C)c2C)s1 857203193 ZDYAXFPDOGGMAG-HJWRWDBZSA-N 274.389 3.639 30 20 CHED CC/C(=C/C(=O)O[C@H](C#N)CC)c1cccc(Cl)c1 753422653 YTQJDMVAPOZDHO-FPAJZGIOSA-N 277.751 3.979 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccsc2Cl)C1 853129158 FQLLICLWXMLGGP-DTWKUNHWSA-N 269.753 3.641 30 20 CHED C=CCc1ccc(OC(=O)C(C)=C(C)C)c(OC)c1 757342984 JIRIBQPCJMLZPX-UHFFFAOYSA-N 260.333 3.685 30 20 CHED C#CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1 756922351 PFKLNJYOZFSJHJ-QGZVFWFLSA-N 294.354 3.581 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=Cc1cc[nH]c1 753947519 PNSWLCBAPFSQSF-UHFFFAOYSA-N 271.217 3.619 30 20 CHED C=CCN(C(=O)c1cc2c(C)cccc2o1)C(C)C 931925904 VRWKMURVTIQART-UHFFFAOYSA-N 257.333 3.778 30 20 CHED CN(C)c1ccc(CN(CCC#N)CC(C)(C)C)cc1F 769335931 WBWNAJZIPLOPIC-UHFFFAOYSA-N 291.414 3.653 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1cncc2ccccc12 765568297 WHDNGUCOYIQQHH-UHFFFAOYSA-N 296.370 3.650 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccc(C(F)(F)F)nn2)C1 768365775 ADMFUAVGPREBRS-UWVGGRQHSA-N 286.301 3.719 30 20 CHED C#CCCCN1CCc2cc(-c3ccccc3)oc2C1 766915216 BAEJYCVTOGPCHD-UHFFFAOYSA-N 265.356 3.718 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2nc(O)c3ccccc3n2)C1 768365732 BRBSWBIFPKKQKF-VXGBXAGGSA-N 284.363 3.559 30 20 CHED Cc1cc(CNc2ccc3c(c2)OC(C)(C)O3)ccc1C#N 767688007 VVZKTPJGAJEMPB-UHFFFAOYSA-N 294.354 3.986 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)[C@H](C#N)c1ccncn1 760333771 MHKAHAGPDDCTLS-LSDHHAIUSA-N 285.391 3.649 30 20 CHED CC[C@@](C)(C=NNc1nc2ccccc2[nH]c1=S)OC 863125172 OPPLIRPBSUWTIL-AWEZNQCLSA-N 290.392 3.505 30 20 CHED N#Cc1cccc(NN=C2CC[C@H]2c2ccccc2)c1 769774357 KFMVBZNBKBUYPD-INIZCTEOSA-N 261.328 3.904 30 20 CHED C=C[C@H](CC)CC(=O)N(C1CC1)[C@H](C)c1ccco1 930515117 IRNXICSODGJRSA-CHWSQXEVSA-N 261.365 3.934 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(CC)cc1OC)OCC 761838099 ZHXYFMPYOMXHLE-OAHLLOKOSA-N 292.375 3.534 30 20 CHED CC#CCCOC(=O)c1cc(C)c(C)cc1Cl 760291844 KWVBLMXPROWBAM-UHFFFAOYSA-N 250.725 3.527 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cc(O)cc(O)c1 769829040 MNWMELLETRLKMQ-UHFFFAOYSA-N 294.713 3.726 30 20 CHED CC(=NNc1c(C)cccc1F)c1nc2ccccc2n1C 769827823 MWYJAWPCCOGJFJ-UHFFFAOYSA-N 296.349 3.857 30 20 CHED Cc1cccc(NN=C2CC[C@H]2c2ccccc2)n1 863160288 YAQHFQNYTIRQQE-AWEZNQCLSA-N 251.333 3.736 30 20 CHED CCC(=NNCC(F)(F)F)c1cccc(Cl)c1 769814763 LGEPWZREVRGXQW-UHFFFAOYSA-N 264.678 3.606 30 20 CHED Cc1ccc(C(=O)Oc2ccc(C#N)cc2F)cc1C 769738509 QPMCZJKELDWDNO-UHFFFAOYSA-N 269.275 3.533 30 20 CHED CCC(CC)NN=Cc1cc2cc(OC)ccc2o1 763365415 ZVXSGPDPVVYLAA-UHFFFAOYSA-N 260.337 3.554 30 20 CHED Cc1ccc(Cl)cc1C(=O)N[C@@H](C#N)C1CCCCC1 133037477 VFHWNKKSWDTKLH-HNNXBMFYSA-N 290.794 3.851 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1cnn(C(C)C)c1 776784995 ATPAQWVNLHJPPB-UHFFFAOYSA-N 293.374 3.767 30 20 CHED CCCCCC(CCCCC)NC(=O)[C@H](C)C#N 779057202 FSQGDFQCCGWUAR-CYBMUJFWSA-N 252.402 3.791 30 20 CHED C[C@H](C#N)COC(=O)c1cc2c3ccccc3n(C)c2s1 770927419 HFOKAKRSSRNFEB-SNVBAGLBSA-N 298.367 3.709 30 20 CHED C=CCCCCCOC(=O)c1[nH]c(C)c(C(C)=O)c1C 779203392 HNQRGVJVSYDKRN-UHFFFAOYSA-N 277.364 3.737 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1ccc(Cl)nn1 779757938 MRIQINUKSCMMMN-SNVBAGLBSA-N 268.792 3.990 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)c1ccc(C)s1 770509800 ZCMFFLTVNUBYBL-LBPRGKRZSA-N 266.410 3.773 30 20 CHED C=CCSc1ccccc1C(=O)NOC1CCCCC1 779323435 OMAUDIDNCDIMOY-UHFFFAOYSA-N 291.416 3.959 30 20 CHED CCC(CC)CNN=Cc1ccc([N+](=O)[O-])cc1Cl 774465702 WHRKBWSNYRBRAU-UHFFFAOYSA-N 283.759 3.608 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccccc1CC#N 776750607 ILLXXNQWWGODHM-HNNXBMFYSA-N 292.382 3.515 30 20 CHED C#CC[C@@H](NC1Cc2ccccc2C1)c1ccccc1 773103929 CNKGMVBGQCYAIX-LJQANCHMSA-N 261.368 3.508 30 20 CHED Cc1nc(C(=O)O[C@@H](C)c2cccc(C#N)c2)sc1C 774074807 CARDJYQCZOJTRY-JTQLQIEISA-N 286.356 3.550 30 20 CHED CCc1ccsc1C(=O)O[C@@H](C#N)C1CCCCC1 776379744 YFNARKYEIYNYHU-ZDUSSCGKSA-N 277.389 3.940 30 20 CHED COc1ccc(/C=C\C(=O)O[C@H](C#N)C2CCCCC2)cc1 776360713 DJRQVHDNRZUJCW-QJWNTBNXSA-N 299.370 3.724 30 20 CHED CSc1cccc(COC(=O)c2ccsc2C#N)c1 1128527419 ITYLBFOGKUTXNE-UHFFFAOYSA-N 289.381 3.699 30 20 CHED Fc1ccc(CON=Cc2ccccc2C(F)(F)F)nc1 786735285 WLGXRJDMRXDZPG-UHFFFAOYSA-N 298.239 3.790 30 20 CHED C=C1CCC(C(=O)Nc2csc(-c3ccncc3)n2)CC1 889960645 AKIZKUGYLYUPFM-UHFFFAOYSA-N 299.399 3.890 30 20 CHED CC(C)C[C@@H](C)C[C@H](C)NCc1ccc(C#N)cn1 783301713 ZXJBHEGNJUJTIC-KGLIPLIRSA-N 259.397 3.504 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1nc(C2CC2)cs1 1123987152 WPDBTLNLGVSKCP-GFCCVEGCSA-N 276.405 3.591 30 20 CHED N#Cc1sc(NCC2(c3ccccc3)CC2)nc1Cl 787894266 ICXZYYAAQUBLNH-UHFFFAOYSA-N 289.791 3.812 30 20 CHED CCc1ccc(C(C)=NNc2ccnc(F)c2)s1 781127878 QVBINSPSRJTWKQ-UHFFFAOYSA-N 263.341 3.681 30 20 CHED C=C(C)CCC(=O)Nc1cc(NC(C)=O)ccc1Cl 1120789730 SHWBCTQIMPAJHR-UHFFFAOYSA-N 280.755 3.593 30 20 CHED O=C(O)c1cccc(NN=C2CCC23CCCC3)c1 788698643 GZCCCHTUGZUSPF-UHFFFAOYSA-N 258.321 3.507 30 20 CHED CCC(CC)C(=O)OCc1ccc(Cl)cc1C#N 780035110 OTVPRZGUPDRGHF-UHFFFAOYSA-N 265.740 3.691 30 20 CHED CC(C)SCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 409446583 MUPSCWNMZGWLFF-SJORKVTESA-N 288.460 3.900 30 20 CHED C=C1CCC(C(=O)O[C@H]2C[C@H](C)C(=O)C(C)(C)C2)CC1 893129679 KNZKRBOVPVBGII-JSGCOSHPSA-N 278.392 3.670 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)c1ccc(CC#N)cc1 891384867 OSJCHCUZYTWFSI-UHFFFAOYSA-N 290.366 3.518 30 20 CHED CCN(Cc1cn(CC)nc1C)[C@H](C)c1ccc(C#N)cc1 891656161 LVRILOUQRFVTCO-OAHLLOKOSA-N 296.418 3.666 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCOC3(CCC3)C2)n1 896328624 PYLGXPNZVXWXHO-GFCCVEGCSA-N 276.380 3.740 30 20 CHED Cc1cccc(CC(=O)OCc2ccc(C#N)cc2Cl)c1 784218840 MWAGULMBBRVAME-UHFFFAOYSA-N 299.757 3.806 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2c2ccccc2)c(F)c1 505295098 CYJDERPLXLQNOW-QGZVFWFLSA-N 266.319 3.644 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(CC#N)cc1 271369888 MOJBUCZTEMLDNN-WFASDCNBSA-N 271.364 3.547 30 20 CHED C=C1CC(c2noc([C@@H](SCC)C(C)C)n2)C1 896881027 AQURKRZPVXSWHO-NSHDSACASA-N 252.383 3.953 30 20 CHED C[C@H](CN[C@H](C)c1ccc(C#N)cc1)CC(F)(F)F 396932445 VFGGVYRRRHEWFB-WDEREUQCSA-N 270.298 3.797 30 20 CHED C=CCCCCC[C@@H](C)NCC1(CO)CCCC1 793559194 YYDKSSUVKRGIHT-OAHLLOKOSA-N 253.430 3.654 30 20 CHED CCCCCCCCN1CCC[C@@H](n2ccnc2)C1 740876938 PEHQCUJVQZXQJD-MRXNPFEDSA-N 263.429 3.881 30 20 CHED CN(Cc1cccc(Cl)c1Cl)C(C)(C)C#N 552531336 WQJNJMQCQYUXIW-UHFFFAOYSA-N 257.164 3.727 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CCCC2)s1 797568379 HUMDWWMQCXLITG-NSHDSACASA-N 276.405 3.807 30 20 CHED CCCCCCCNC1CCN(c2ccncc2)CC1 705825872 SXKWRKJJNROSRI-UHFFFAOYSA-N 275.440 3.610 30 20 CHED C#CCCCN[C@@H](c1ccc(Br)s1)C1CC1 190612645 KOJPDGRLBUFDEB-CYBMUJFWSA-N 298.249 3.965 30 20 CHED CC(=NNc1ncccc1F)c1csc(Cl)c1 794988997 CFWPHGZXKQDBTN-UHFFFAOYSA-N 269.732 3.772 30 20 CHED N#CCCCCNc1ncc(Cl)cc1Br 192717892 WVRCWQHVFVYUJD-UHFFFAOYSA-N 288.576 3.603 30 20 CHED CC(C)(C)c1cccc(OC(=O)c2ccc(C#N)o2)c1 796731320 JIKNCZKJVXZWQO-UHFFFAOYSA-N 269.300 3.668 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2ccc(C)cc2C)c1 1206305729 MORRVINNBRWQHT-UHFFFAOYSA-N 293.370 3.805 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc3c(c2)OC2(CCCC2)O3)C1 799722403 ODJREOSMZLMXHL-QWHCGFSZSA-N 284.359 3.832 30 20 CHED C=CCC(C)(C)C(=O)OCc1cccc([N+](=O)[O-])c1C 796456013 XDNGRAAGIALCMJ-UHFFFAOYSA-N 277.320 3.549 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 791067542 RYDMJMRTLWLNKY-YESZJQIVSA-N 298.430 3.684 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N(C)[C@H](C)CC#N 576043049 ZCHWHNMAOJHMSH-UONOGXRCSA-N 250.386 3.520 30 20 CHED C[C@H]1C[C@H](NCc2cc(C#N)ccc2F)CC[C@H]1C 85055785 WSLNHJXVFPZYEP-TYNCELHUSA-N 260.356 3.612 30 20 CHED C#CCN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CC1 763956436 NWGQPUNUVSLLKE-UHFFFAOYSA-N 286.762 3.593 30 20 CHED C=C(CNC(=O)NC[C@@H]1CCCC[C@@H]1C)c1ccccc1 1311789998 LGYISWHMTXISJV-YOEHRIQHSA-N 286.419 3.825 30 20 CHED N#Cc1ccc(NC(=O)N2CC3CCC2CC3)c(Cl)c1 1319770747 UVPGUFMXFILKDN-UHFFFAOYSA-N 289.766 3.618 30 20 CHED C=C(CNC(=O)N[C@@H]1CCCCC1(C)C)c1ccccc1 1312245660 PQEXNMATLXAGSQ-MRXNPFEDSA-N 286.419 3.968 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CSCc1cccs1 1321063319 ZOOJZEMNHJVONW-GFCCVEGCSA-N 281.446 3.548 30 20 CHED CC(C)(c1ccccc1)c1nnc(-c2ccc(C#N)s2)o1 1329248151 UHSZJSBQSCKFPU-UHFFFAOYSA-N 295.367 3.996 30 20 CHED N#CCOc1ccc(NC[C@@H]2CCOc3ccccc32)cc1 1320075275 CSYBHMVOLMIXPO-AWEZNQCLSA-N 294.354 3.567 30 20 CHED CSc1ccccc1C(=O)/C=C\c1c(C2CC2)cnn1C 1327016580 GIQLIAIQSNFWTK-KTKRTIGZSA-N 298.411 3.916 30 20 CHED CC[C@@H](Nc1ccc(OCC#N)cc1)c1ccncc1 1324602704 WPHUWCAQOWORHS-MRXNPFEDSA-N 267.332 3.547 30 20 CHED C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1C 1325835909 DYIJXIPAODBZSW-UHFFFAOYSA-N 290.798 3.538 30 20 CHED C[C@H](Nc1cccc(CC#N)n1)c1ccccc1Cl 1327797833 MTIXXSDIUGTXOR-NSHDSACASA-N 271.751 3.974 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCOC2(CCC2)C1 1330797932 FKRFWBKLHXUEHB-HNNXBMFYSA-N 281.440 3.812 30 20 CHED Cc1nc(C#N)cc(Oc2cncc(-c3ccccc3)c2)n1 1186632561 CLNOHCGBNHPQGB-UHFFFAOYSA-N 288.310 3.511 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(F)c3cccnc23)C1 1339066535 XPMYTMDYYSMWIL-CYBMUJFWSA-N 298.361 3.802 30 20 CHED C[C@@H]1C[C@H](CCNc2nccnc2C#N)CC(C)(C)C1 1186316690 ZESUGHAFAFHHFX-OLZOCXBDSA-N 272.396 3.613 30 20 CHED N#C[C@@H](C(=O)c1ccc2c(c1)CCC=C2)c1cccc(F)n1 1347201893 AHPJSBMYDSQCNS-OAHLLOKOSA-N 292.313 3.670 30 20 CHED N#Cc1ccnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 1264233839 MCCWJXJISJXLJJ-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1cc(C)cc(C2(C(=O)O[C@@H]3CC[C@@H](C#N)C3)CC2)c1 1342576750 XTIPZZSCRNIQOR-GDBMZVCRSA-N 283.371 3.571 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 1198252815 XKTSTNKTEBEIPY-NUBKLNGGSA-N 280.415 3.987 30 20 CHED Cc1cccc(N(C)C(=O)Nc2ccc(OCC#N)cc2)c1 1261545103 QBFPOQBPEBBKFJ-UHFFFAOYSA-N 295.342 3.566 30 20 CHED CC[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1 1263660314 BRXOCNMPQAATJU-ZBFHGGJFSA-N 283.327 3.971 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H](C)c1ccccc1 1272910570 FOPXIZVEROIZRR-GFCCVEGCSA-N 292.338 3.503 30 20 CHED C[C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 108886736 FVSIABFAMYRGKH-RYUDHWBXSA-N 273.336 3.705 30 20 CHED C=CCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 107515637 DWZLSVGXGUWEKV-UHFFFAOYSA-N 278.661 3.666 30 20 CHED C[C@@H]1CC(C(=O)Nc2cnc(Cl)cc2C#N)C[C@@H](C)C1 1518160409 DOOBJLDMTUTNFK-UWVGGRQHSA-N 291.782 3.617 30 20 CHED C=C(Cl)CNC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 1444353836 GSXUMNAPMGWMEK-NXEZZACHSA-N 283.721 3.614 30 20 CHED COc1cccc(CSc2cccnc2C#N)c1C 1459079243 ZIIBWBBDBGGSND-UHFFFAOYSA-N 270.357 3.563 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NC[C@H](C)CC(F)(F)F 1521567959 UDHPLBUXYDGMKA-VXGBXAGGSA-N 292.345 3.715 30 20 CHED C=C[C@@H](Nc1cccc(CSC(C)C)c1C)C(=O)O 1609272374 ODJJVZIHOLZLCM-CYBMUJFWSA-N 279.405 3.688 30 20 CHED CCCOc1ccc(CN(C[C@H](C)C#N)C2CC2)cc1C 1461927510 OJQYZTLYIYGGMR-CQSZACIVSA-N 286.419 3.908 30 20 CHED Cc1ccccc1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1535035548 ZIYWCLIAZGUSBL-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C=CCCCS[C@@H](Cc1ccc(C)cc1)C(=O)O 1602880672 XDYQLBKZABLNHE-AWEZNQCLSA-N 264.390 3.690 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)[C@H]1CC2CCC1CC2 1474624424 SZAPQEXFJIENQR-WLHONDITSA-N 282.431 3.905 30 20 CHED Cc1cc(CNCC[C@H]2CNc3ccccc32)ccc1C#N 1579601255 LJEICAFBXIPBHN-KRWDZBQOSA-N 291.398 3.556 30 20 CHED CS[C@H]1CC[C@@H](Nc2c(C#N)cnc3ccccc23)C1 230918587 RUWWGNWETAHYQL-OLZOCXBDSA-N 283.400 3.802 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(Cl)cc(C(=O)O)c1 1588691343 YNNLWADXYZVMTR-SECBINFHSA-N 281.739 3.579 30 20 CHED N#Cc1ccccc1OCCN1CCCc2cc(F)ccc21 1652746002 VSWARTNNCIBTQM-UHFFFAOYSA-N 296.345 3.529 30 20 CHED CC[C@H]1CCC[C@@H](NCCc2ccc(C#N)cc2)C1 1656621947 AWMORAMYXFAKRK-WMLDXEAASA-N 256.393 3.659 30 20 CHED CCN(Cc1ccc(C#N)cc1C)c1cccc(OC)c1 1657759945 MTXNFTZLOUERST-UHFFFAOYSA-N 280.371 3.902 30 20 CHED C[C@H](CSc1ncc(C#N)cc1F)c1ccccc1 1651039474 SZBDOQSCRNJEOK-LLVKDONJSA-N 272.348 3.988 30 20 CHED Cc1c(C#N)cccc1NCc1nc(Cl)cs1 1659411046 NMRWPHJFELFIOA-UHFFFAOYSA-N 263.753 3.589 30 20 CHED N#CCc1ccc(NCCc2ccc(F)c(F)c2)cc1 1657703598 MGFBENCHPXZOFG-UHFFFAOYSA-N 272.298 3.685 30 20 CHED N#Cc1ccsc1NC(=O)Nc1cccc2[nH]ccc12 1671449530 JXKBKYVZBMAFEG-UHFFFAOYSA-N 282.328 3.745 30 20 CHED CC(C)(C)[C@@H]1CCC1=NNc1ccc(F)c(C(=O)O)c1 1776063144 CKFNJBGSXYOKTC-LLVKDONJSA-N 278.327 3.748 30 20 CHED CC(=NNC1CCC(C)(C)CC1)c1csc(C(=O)O)c1 1776097980 OZPMNPMDLAZQFW-UHFFFAOYSA-N 294.420 3.729 30 20 CHED CCCC(=NNc1cccc(C(=O)O)c1)[C@@H]1CC1(C)C 1776037432 HUBLOHJPJVIQLX-ZDUSSCGKSA-N 274.364 3.999 30 20 CHED N#CCOc1cc(F)ccc1NCC1CCCCC1 150764883 QPEPKRDYFXMEFP-UHFFFAOYSA-N 262.328 3.720 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 162358857 FAIJRBXTBKZOKI-MLGOLLRUSA-N 284.384 3.586 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)c1cccc(C#N)c1 162991511 POWPFQVKXINNBA-LSDHHAIUSA-N 296.395 3.695 30 20 CHED C[C@H]1C[C@@H](C)CN(Cc2cccc(OCCCC#N)c2)C1 158002542 JJZKRHATZRVAKI-IYBDPMFKSA-N 286.419 3.847 30 20 CHED C=C(Cl)CNCc1ccc(C)c(Br)c1 163053212 DEYIWXAWDABCDQ-UHFFFAOYSA-N 274.589 3.600 30 20 CHED C=CCc1cc(CN(CC(F)F)C(C)C)c(O)c(OC)c1 164525745 XILHPSBFZXSBPF-UHFFFAOYSA-N 299.361 3.605 30 20 CHED C#CCCCCNCc1cc(Cl)cc(Cl)c1 165931742 BEYQCPDGUOBTQZ-UHFFFAOYSA-N 256.176 3.887 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)c(F)c1 8063944 AEDRHPSRTAIHRH-UHFFFAOYSA-N 276.198 3.537 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)[C@@H](C#N)c1ccccn1 152263389 XBQKNSZYJCURKS-KGLIPLIRSA-N 270.376 3.864 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(C#N)ccc1OC 154261780 JCBNTIOTTTXGDP-UHFFFAOYSA-N 299.418 3.719 30 20 CHED C=C(C)CNC(=O)Nc1cc(-c2ccccc2)nn1C(C)C 157422912 SDDZFAPFDMHJPM-UHFFFAOYSA-N 298.390 3.829 30 20 CHED CC#CCCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 155979035 AOTWXQSTNVMHDF-CVEARBPZSA-N 291.460 3.830 30 20 CHED C=CCC[C@H](CC)N[C@@H](COC)c1ccc(C)o1 156483541 QPIVXZIYGGYWBZ-KBPBESRZSA-N 251.370 3.610 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 159516104 UWRKBDSYYAZEGP-SECBINFHSA-N 277.755 3.522 30 20 CHED C#Cc1ccc(CNCc2cc(Cl)ccc2OC)cc1 809610442 SKSVCDAZKBOJJE-UHFFFAOYSA-N 285.774 3.620 30 20 CHED C#Cc1cccc(NCc2ccccc2OC(F)F)c1 19877011 RUYLMSBGJVLFPX-UHFFFAOYSA-N 273.282 3.881 30 20 CHED CC1(C)CCC[C@H](NCc2ccc(C#N)cc2F)C1 158903704 YNZLGLQNXSRXBD-AWEZNQCLSA-N 260.356 3.756 30 20 CHED C[C@H](NC[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 280347201 HQUDSCUTBXXCMK-AAEUAGOBSA-N 264.319 3.644 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC=CO2)c(C(F)(F)F)c1 50268274 BZGTZVIEIJHOSD-NSHDSACASA-N 282.265 3.682 30 20 CHED CCCN(CC#N)C(=O)CCSc1ccccc1Cl 346479496 GTJLPCLYSGUIST-UHFFFAOYSA-N 296.823 3.584 30 20 CHED C[C@H](NCc1csc(C2CC2)n1)c1cccc(C#N)c1 610344829 IUVHMJPQEHPDOZ-NSHDSACASA-N 283.400 3.743 30 20 CHED N#CCC1CCN(C(=O)c2csc3ccccc23)CC1 335317162 WOQVQWJCNYECSS-UHFFFAOYSA-N 284.384 3.667 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C(F)F)cc1 395397009 ZVUFKXNQGHDJME-UHFFFAOYSA-N 266.291 3.893 30 20 CHED C=CCCCCCCNC1CCC(O)(C(F)(F)F)CC1 396421739 PFVJILGVBIXPKC-UHFFFAOYSA-N 293.373 3.949 30 20 CHED CSCC1CCC(=NNCc2ccccc2)CC1 834967323 YJZHIHIGLQNAJA-UHFFFAOYSA-N 262.422 3.685 30 20 CHED C[C@@H](C#N)Sc1nccn1-c1ccc(Cl)cc1 10270701 NYUUNPDTZGVDCQ-VIFPVBQESA-N 263.753 3.530 30 20 CHED COc1ccc(CCCC(=O)Nc2ccc(C#N)cc2)cc1 10777394 INCIGLPRJIUJKM-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C=CC1CCN(C(=O)c2ccccc2OCC2CC2)CC1 110368272 BRVLINLKBUZBCD-UHFFFAOYSA-N 285.387 3.514 30 20 CHED C=CCCC(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl 171295706 AFXQUARTJQPWLZ-UHFFFAOYSA-N 295.766 3.810 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1(c2ccccc2)CC1 59950408 BTSGDCMKLWPTPL-UHFFFAOYSA-N 276.339 3.537 30 20 CHED C=CCCC(=O)N(C)CCCOc1ccc(Cl)cc1 102235962 GXBUKYSNUXDRTM-UHFFFAOYSA-N 281.783 3.534 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(C#N)c1 173100470 ONBACQGERXGJGD-LBPRGKRZSA-N 281.359 3.585 30 20 CHED C=CCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 174713902 CZUVTLYBLFLKPV-IUODEOHRSA-N 261.340 3.701 30 20 CHED Cc1cccc2sc(NC(=O)C3(C#N)CCCC3)nc12 29852293 AXCUBLCDLBJTKP-UHFFFAOYSA-N 285.372 3.627 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N(C)C2(C#N)CCC2)cc1C 66321936 KCXWWAIXYQORGP-VOTSOKGWSA-N 282.387 3.530 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCC[C@@H](C)C2)c1 66117340 KPMLUHSGMWLBGL-GDBMZVCRSA-N 259.393 3.920 30 20 CHED CCc1c(C)sc(NC(=O)Cc2ccc(C)cc2)c1C#N 68677807 KEHGDYZWXAAAJC-UHFFFAOYSA-N 298.411 3.980 30 20 CHED CC[C@@H](C)[C@@H](C)N(CCOc1ccc(C#N)cc1)C1CC1 64808351 BJUAMXGSJGWVJN-HUUCEWRRSA-N 286.419 3.836 30 20 CHED C=CC[C@@H](C)NC(=O)c1sc2ccc(OC)cc2c1C 173800290 QGDWBXXTKHAPEQ-SNVBAGLBSA-N 289.400 3.913 30 20 CHED CC(C)C[C@H]1CCN(Cc2ccc(F)cc2C#N)C1 466739743 QEFZTLCDBHXKPU-CYBMUJFWSA-N 260.356 3.565 30 20 CHED C=CCCCC(=O)N(C)Cc1ccccc1Cl 175083071 RUPXBJQQEYNWRU-UHFFFAOYSA-N 251.757 3.655 30 20 CHED C=CCC(CC=C)C(=O)NC1CC(C)(c2ccccc2)C1 410083285 PXJOVOGCQJAVDZ-UHFFFAOYSA-N 283.415 3.991 30 20 CHED C=CCCNc1cc(F)c(Br)c(F)c1 307032461 LBYUHVRGHPTMBX-UHFFFAOYSA-N 262.097 3.715 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cccnc1C 171418870 JAPQTBLYHNBWJM-BQYQJAHWSA-N 267.328 3.603 30 20 CHED CC[C@H](SC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 178508982 WULBAPJTZOBDDM-ZDUSSCGKSA-N 276.405 3.568 30 20 CHED CC(C)[C@@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 171977434 YBSIFBCFFNAALZ-NOZJJQNGSA-N 299.201 3.966 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ccc(C#N)nc1)CCC2 179237565 RPXFJXKCSMUVAE-KRWDZBQOSA-N 263.344 3.751 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccnc1C 171947629 ORPMMMNHGCGPNV-UHFFFAOYSA-N 272.392 3.599 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1sccc1C#N 171401440 ZDDBIMMBDIQHFQ-SNVBAGLBSA-N 250.367 3.631 30 20 CHED Cc1cc(C(=O)/C=C/c2c(C)n[nH]c2C)cc(C)c1F 125387369 AGBNUMDVONFUFS-AATRIKPKSA-N 272.323 3.679 30 20 CHED C[C@H](Oc1ccccc1NC(=O)CC#N)c1ccccc1 186544085 BACIKFWUJNUGRK-ZDUSSCGKSA-N 280.327 3.679 30 20 CHED N#Cc1cccnc1N[C@H]1CCCOc2cc(Cl)ccc21 301989048 FCKCOTUFFVDIJN-AWEZNQCLSA-N 299.761 3.932 30 20 CHED COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1F 37502476 UCNYBUGOXXBZMV-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ncc(Br)s1 281688652 RXMMHXWBKKSIDN-RKDXNWHRSA-N 289.242 3.911 30 20 CHED CC[C@@H](SC)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 127747463 OTBIJFUUNLVVIT-SWLSCSKDSA-N 290.432 3.609 30 20 CHED C=CCOCCCC(=O)Nc1cc(Cl)ccc1SC 79759055 YETDWDVGMXYVKK-UHFFFAOYSA-N 299.823 3.983 30 20 CHED CC(C)(C)[C@@H]1CCN(c2nc3ccccc3cc2C#N)C1 128451565 VTIROGIHOJSLPL-OAHLLOKOSA-N 279.387 3.979 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](C)[C@H](C)CC)c1 502965290 BNMSIHBPLFNIDJ-OLZOCXBDSA-N 261.365 3.872 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C 125925587 JKDLDPNYNVLYMD-CQSZACIVSA-N 297.439 3.680 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(C#N)c1C 509433855 YYBTWEUVWUBSQM-CXAGYDPISA-N 284.403 3.908 30 20 CHED C=CCN(CC=C)Cc1cc(C)nc2ccccc12 124983527 VIYYCIHKSOKZLL-UHFFFAOYSA-N 252.361 3.717 30 20 CHED N#Cc1c(NC(=O)c2ccccn2)sc2c1CCCCC2 72495554 TWYFMPWXISFVNO-UHFFFAOYSA-N 297.383 3.536 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2cc(C#N)ccc2F)cc1 30002575 AQHFNLQXYUGLOU-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C=CCC[C@H](C(=O)NCC(C)(C)C)c1ccccc1 187082370 UMEVZLDKFUKQMF-HNNXBMFYSA-N 259.393 3.899 30 20 CHED O=C(/C=C\c1ccccc1Cl)c1cc(O)ccc1O 217789162 ZRJCUTVXCOCBJS-ALCCZGGFSA-N 274.703 3.647 30 20 CHED CCCCC[S@@](=O)CCC1(C#N)CCCCC1 414241328 GBXXHGOOPVRBJN-QGZVFWFLSA-N 255.427 3.789 30 20 CHED C=CCn1c(C)nnc1SCc1ccc2c(c1)CCC2 75324400 CQICRKNTODXXDK-UHFFFAOYSA-N 285.416 3.554 30 20 CHED Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c(O)c1 36991779 XDIVXJDJJYLSKI-ZIAGYGMSSA-N 280.371 3.984 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1Nc1ccccc1OC 503668761 ZBUXSXWUBHBEEF-CYBMUJFWSA-N 296.370 3.743 30 20 CHED C=C(C)CN(C)C(=O)c1cnc(-c2ccccc2F)s1 180397121 XZGRZNCUXIVQRU-UHFFFAOYSA-N 290.363 3.597 30 20 CHED CCN(C(=O)c1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 45499038 BNMUAFTZXNGYLH-CYBMUJFWSA-N 296.345 3.921 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1ccc(F)cc1F 131584520 YAFIFPBYLAMVBW-UHFFFAOYSA-N 299.386 3.623 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCC(C)(C)C#N 502184202 DUQAXHNUTRDOIA-CZUORRHYSA-N 299.418 3.549 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)c1ccc(Cl)s1 180478083 ZHHXJRKRUBARJP-SECBINFHSA-N 257.786 3.540 30 20 CHED C[C@@H](CC1CCCC1)/C(O)=N/c1nc(C(F)(F)F)n[nH]1 72567652 XGRFLNMDTUCVIZ-ZETCQYMHSA-N 290.289 3.628 30 20 CHED N#CC1(CNc2ncc(C(F)(F)F)cc2Cl)CCC1 419026014 SWYCRUSAUJYLIX-UHFFFAOYSA-N 289.688 3.860 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C#N)s2)c1 134506845 WUPROZIHPRAGHQ-FNORWQNLSA-N 269.325 3.524 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccccc1C=O 135573554 CAFBRVWOFQMASL-UHFFFAOYSA-N 279.339 3.879 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(N2CCCC2)c(F)c1 410131170 PTUPFXULOPYDHL-AWEZNQCLSA-N 290.382 3.510 30 20 CHED C#CC[C@H](C)OC(=O)c1ccccc1C(=O)c1cccs1 83790133 QGMUJPFUZCMHSF-LBPRGKRZSA-N 298.363 3.548 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1sccc1C#N 459854370 GGDOKRUNDZPESF-ZETCQYMHSA-N 276.283 3.537 30 20 CHED C=CCC1(C(=O)N2CC=C(c3ccc(O)cc3)CC2)CCC1 191468550 ZTLUOOSDGSQBPN-UHFFFAOYSA-N 297.398 3.754 30 20 CHED COc1ccc(CN[C@H](C)[C@H](C)c2ccccc2)cc1C#N 80248218 RNDNRVVQMPYBSR-LSDHHAIUSA-N 294.398 3.849 30 20 CHED C#CCOC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 49005708 LNQLBQBKNVAKGY-NTMALXAHSA-N 286.327 3.744 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(O)=Nc2ncc(C3CC3)[nH]2)C1 329298133 LHJKYEHDINKWQM-IAZYJMLFSA-N 261.369 3.947 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(Br)cc1O 134932000 BMKBDYYFPHDVFO-ZJUUUORDSA-N 284.197 3.770 30 20 CHED C=C[C@H](CC(=O)Nc1ccnn1C(C)(C)C)c1ccccc1 89615074 CGJSXUKDVHNYDG-CQSZACIVSA-N 297.402 3.937 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCCC1(C)C 425497924 XNRUURZAAUOSKH-BBRMVZONSA-N 299.418 3.839 30 20 CHED Cc1cc(CCCC(=O)N[C@@H](C#N)C(C)(C)C)c(C)s1 85437131 GIZZZSNZDWYRHG-AWEZNQCLSA-N 292.448 3.742 30 20 CHED C=CCC1(c2nc(C3(CCOC)CCC3)no2)CCC1 420514767 ONSUCRBOFXXPDS-UHFFFAOYSA-N 276.380 3.526 30 20 CHED CC1(C)[C@H](N[C@@H]2CC[C@H](C#N)C2)C[C@H]1Oc1ccccc1 424320285 FZNGDIYGQZCVGF-XOSAIJSUSA-N 284.403 3.514 30 20 CHED CC(C)C1CCC(C/N=C(/O)[C@H]2CCCC(O)=N2)CC1 328777546 FYPLBVQAGNCMAP-JXQTWKCFSA-N 280.412 3.914 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2CC)c1 48476345 SRBPSOFGSXESBA-GOEBONIOSA-N 270.376 3.758 30 20 CHED CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[C@@H]1C(C)(C)C 425856714 FLMRRXUZBYHWMO-LJISPDSOSA-N 291.439 3.535 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OCC)c(F)c1 190848426 UYRVFSGLTNWXQP-OAHLLOKOSA-N 265.328 3.765 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)CCO[C@H]2C(F)(F)F 334600443 YBCUMVVXYAMGPB-CQSZACIVSA-N 292.260 3.591 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(s1)CCCC2 424328766 OMWIVMDTTCMTIZ-MBNYWOFBSA-N 274.433 3.970 30 20 CHED C[C@@H](CN[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 424191645 HQQYQIBOINHESY-SLEUVZQESA-N 262.784 3.725 30 20 CHED COc1cccc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 336359342 LHJLSLNUSCQABH-YOEHRIQHSA-N 284.403 3.567 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 193467474 AXIDARADPRTMRF-INIZCTEOSA-N 290.432 3.855 30 20 CHED CCCCO[C@H]1C[C@@H](NCc2cccc(C#N)c2)C1(C)C 236864301 XJKVTABTFBLHRQ-SJORKVTESA-N 286.419 3.632 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 332683748 FQHLRMLHRGFNIJ-RBSFLKMASA-N 291.439 3.584 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)c1ccc(OC)c(Cl)c1 424712852 BJSKTCHQRKSVST-UHFFFAOYSA-N 281.783 3.914 30 20 CHED Cc1cccc(C(=O)Nc2ccccc2CC#N)c1C 334230768 SJMGFLLSMXJAIE-UHFFFAOYSA-N 264.328 3.622 30 20 CHED C[C@H]1[C@H](C)CCN1C(=O)Nc1ccc(CC#N)cc1Cl 335584596 ZZOLTGPNYBUGGN-MNOVXSKESA-N 291.782 3.668 30 20 CHED C[C@H]1c2ccccc2CCN1CC(C)(C)CCC#N 93149767 OPKIPHTXVSSGII-AWEZNQCLSA-N 256.393 3.936 30 20 CHED C[C@@H](C#N)CN(C(=O)CCc1cc2ccccc2o1)C1CC1 338301232 FEUBBDZOBRWJHC-ZDUSSCGKSA-N 296.370 3.516 30 20 CHED C=CCN(C)C(=O)NCC1CCC(c2ccccc2)CC1 430376484 LPBBFAMKJQTFCN-UHFFFAOYSA-N 286.419 3.788 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(Cl)o1 335669476 OYRVYSIDSSXWKT-OAHLLOKOSA-N 286.762 3.972 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 334808123 FEPYAIKESFFIIR-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=CCN(Cc1cc(C#N)cs1)Cc1ccccc1F 92404673 ASKXKUTWWMUNDA-UHFFFAOYSA-N 286.375 3.947 30 20 CHED N#Cc1cnc(NCCc2cc3ccccc3[nH]2)c(Cl)c1 433423921 WQFMDHQTLAYINW-UHFFFAOYSA-N 296.761 3.743 30 20 CHED Cc1cccc2cc(C(=O)N3CCC(CC#N)CC3)oc12 336627379 HTSJNIUEIZLCBK-UHFFFAOYSA-N 282.343 3.507 30 20 CHED CCC[C@@H](NCC1(CC#N)CC1)c1cccc([N+](=O)[O-])c1 430745226 WIOCHGOCHVYWJC-OAHLLOKOSA-N 287.363 3.719 30 20 CHED COc1ccc(C#N)cc1CN1Cc2ccccc2C[C@H]1C 438079899 ZHUFWPVZDSDVPD-CQSZACIVSA-N 292.382 3.514 30 20 CHED C[C@H]1C[C@H](CC(=O)NCC2(CC#N)CC2)CC(C)(C)C1 431183821 YTFOWJKQLWHRMQ-UONOGXRCSA-N 276.424 3.649 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 247065963 HJYCGHXIJUZPHE-WWGRRREGSA-N 285.391 3.699 30 20 CHED C=CC1CCN(C(=O)c2ncsc2-c2ccccc2)CC1 437836848 HMMGUZMGPCWLJC-UHFFFAOYSA-N 298.411 3.848 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C)ccc2O)n1 436566388 PLKOLYBNDDXXQG-UHFFFAOYSA-N 258.321 3.604 30 20 CHED CCC[C@@H](NC(=O)[C@H](C)C#N)c1cccc(C(F)(F)F)c1 345754193 CVMSPLMCAIGICI-ZWNOBZJWSA-N 298.308 3.822 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 537225266 RRUVZMOEGHEKIF-CYBMUJFWSA-N 270.376 3.951 30 20 CHED CCN(Cc1cccc(C)n1)[C@@H](C)c1ccc(C#N)cc1 343677445 BAUQIPGPJVSBEA-HNNXBMFYSA-N 279.387 3.845 30 20 CHED C=CC[C@H](CC)N[C@H](CC)c1ccc2c(c1)OCCO2 343517154 XZNFCFBTUQJDIN-LSDHHAIUSA-N 275.392 3.853 30 20 CHED C=CCCC1(C(=O)Nc2nc3cccc(Cl)c3[nH]2)CC1 342366264 DXZCYLLGCGOPSP-UHFFFAOYSA-N 289.766 3.901 30 20 CHED C=C(C)CCc1noc(/C=C/c2scnc2C)n1 347209327 GLOBLAMCIFYBOX-FNORWQNLSA-N 261.350 3.514 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(CC(C)C)CCCC1 437485168 XNXWMJPAKUPDCO-CVEARBPZSA-N 293.451 3.690 30 20 CHED Cc1cccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C(C)C)c1 527894063 SPDQYODJUMGVKO-USXIJHARSA-N 256.393 3.974 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CCCC1(C)C 602678007 ZIVGGCGQHVNRHO-GJZGRUSLSA-N 278.440 3.501 30 20 CHED COc1cccc(C=Nc2cccc(OC(F)F)c2)c1O 255130681 XPFKEIODOXONTQ-UHFFFAOYSA-N 293.269 3.753 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C#N)s2)ccc1F 255025538 OHUYOEZNKCRJLI-UTCJRWHESA-N 271.316 3.963 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1sccc1C 346897452 NWAJXHJICKYBFX-UHFFFAOYSA-N 285.372 3.612 30 20 CHED N#Cc1ccc(NC[C@@H](c2ccccc2)C2CC2)cn1 431514775 UDQTYYJASFEPPA-KRWDZBQOSA-N 263.344 3.559 30 20 CHED C=C(CN[C@@H](C)c1cc(OC)ncc1F)c1ccccc1 348061034 VONSUKPJGZBBQN-ZDUSSCGKSA-N 286.350 3.593 30 20 CHED C=CCn1c(SCC2(C#N)CC2)nc2ccccc21 349178390 ROOIUUWWNPCIGJ-UHFFFAOYSA-N 269.373 3.618 30 20 CHED C=C(C)CN1CCC(Oc2ccc(C)c(C)c2)CC1 521425548 CRJIYFFFWMWGNS-UHFFFAOYSA-N 259.393 3.723 30 20 CHED CCCC(CCC)[S@@](=O)CCCC1(C#N)CCOCC1 346371044 FQQORJASRJLODI-FQEVSTJZSA-N 299.480 3.804 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1 255294912 CIQQYWKKXXUODD-KHPPLWFESA-N 296.395 3.972 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NC1CC(c2ccccc2)C1 602564780 NRJXAOVBNRMIDO-ZLPCBKJTSA-N 298.430 3.621 30 20 CHED CC(=NOCc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 252463512 OMROJGYOOSJWTE-UHFFFAOYSA-N 298.173 3.668 30 20 CHED C=CCC1(CNC(=O)c2ccccc2CC#N)CCCC1 601619501 LEKGNLUVHYBQSF-UHFFFAOYSA-N 282.387 3.619 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 448774034 ZIWOQOWLLWLTEM-DJIMGWMZSA-N 284.403 3.578 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(C2CC2)C2(C#N)CCC2)C1 341586214 OLVHAMBLTWJWBF-KGLIPLIRSA-N 274.408 3.640 30 20 CHED O=C(/C=C\c1ccn(-c2ccccc2)n1)c1ccccc1 255523618 OZLRDWHVKUHYLP-QXMHVHEDSA-N 274.323 3.768 30 20 CHED CC[C@H](C#N)OC(=O)/C=C(/C)c1ccccc1Cl 255372460 ODXSWGZFZXHQIQ-HIJJYWJESA-N 263.724 3.589 30 20 CHED CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(C#N)cc(C)n1 342913186 SOZRUBBMGNPNGZ-YVEFUNNKSA-N 299.349 3.589 30 20 CHED Cc1ccc(C#N)cc1OCc1ccc(C(F)(F)F)cn1 340597141 JVTQHZOGHGTYTD-UHFFFAOYSA-N 292.260 3.860 30 20 CHED Cc1csc(-c2ccc(NC(=O)[C@]3(C#N)C[C@H]3C)cc2)n1 448858904 COGSIXDHOFEPMT-HWPZZCPQSA-N 297.383 3.607 30 20 CHED CC1CCC(C)(NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 609207421 YNQTWHOUHSQFJC-TXKKKEFDSA-N 299.418 3.887 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(O)c2)cccc1[N+](=O)[O-] 255367699 SPWOBWKDROGREB-HJWRWDBZSA-N 283.283 3.505 30 20 CHED C=CCC1(CN[C@H](C)C2CCOCC2)CCCC1 449604361 JYQKNWBHBFVBHZ-CQSZACIVSA-N 251.414 3.528 30 20 CHED C=CCCC1(C(=O)NCc2c(F)cccc2Cl)CC1 354313275 SEYXBHJIVAXVSS-UHFFFAOYSA-N 281.758 3.842 30 20 CHED C=CCOc1cccc(CNC[C@@H]2CCCC2(F)F)c1 449490716 CNRZNFRWDMGQHZ-AWEZNQCLSA-N 281.346 3.776 30 20 CHED C=CCOc1cccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1 448785846 XHSAKZFSRRLWEU-WWGRRREGSA-N 271.360 3.626 30 20 CHED N#Cc1ccccc1CNC1(c2ccc(F)cc2)CCC1 604564449 YIYKKNGIJIASLJ-UHFFFAOYSA-N 280.346 3.866 30 20 CHED N#CCCN(CC1CC1)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 352575967 FDHILEICURIXHG-IXDOHACOSA-N 288.435 3.745 30 20 CHED CC(C)(C#N)CCCSCC(=O)c1ccccc1 601085409 RUWHDCCFUQPVMQ-UHFFFAOYSA-N 261.390 3.932 30 20 CHED CCc1ccc(CCNCc2ccc(C#N)cc2F)cc1 533446640 DBIPYBNVEDIKRW-UHFFFAOYSA-N 282.362 3.592 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)C1CCC(C(F)(F)F)CC1 449700257 SRPJYTZXWSUQAT-ABXWRUBCSA-N 293.373 3.660 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H](C)c1ccc(C#N)cc1 536802254 OBWANQLUJRHQHV-HEHGZKQESA-N 285.391 3.592 30 20 CHED C=CC[C@H](C)NC(=O)c1ncccc1Oc1ccccc1 442713224 LDSZGLSMFTWUBN-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED N#Cc1ccc(CN2CCCC3(CC3)C2)c(OC(F)F)c1 352268295 ZIXHVIUYXQTVST-UHFFFAOYSA-N 292.329 3.536 30 20 CHED C[C@@H](NCC1(C)CCCC1)c1ccc(C#N)c(F)c1 539609629 MRQAPOJHWQZYKL-GFCCVEGCSA-N 260.356 3.928 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)CCC(C)C 448906554 AIEHQVPKVOCIOA-CABCVRRESA-N 264.413 3.601 30 20 CHED N#Cc1cccc(CN[C@H](c2ccccc2)C2CC2)c1F 539492716 ILRZGQBICDBSJD-GOSISDBHSA-N 280.346 3.938 30 20 CHED CC[C@H](F)CSCc1ccc(OC)c(C#N)c1 442560997 YRDJDQDUONXZII-LBPRGKRZSA-N 253.342 3.548 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccccn1)C(C)C 531823817 SABDGUKHIDCRKH-UHFFFAOYSA-N 272.392 3.587 30 20 CHED CC1(C#N)CCC(N[C@H]2COc3cccc(Cl)c32)CC1 449331273 XXFDWTMNGWIZHR-ULKWEWGCSA-N 290.794 3.836 30 20 CHED N#CC1(CNC(=O)Nc2ccc(-c3ccco3)cc2F)CC1 619538752 WVNPLBNZUZXNJA-UHFFFAOYSA-N 299.305 3.511 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2c(F)cccc2OC)CC1 356210011 SOXJBYKKYHWUCB-LBPRGKRZSA-N 291.366 3.758 30 20 CHED C[C@H](NC[C@H](C1CCCCC1)N(C)C)c1cccc(C#N)c1 539498401 OGTFGVSYKDUROY-HNAYVOBHSA-N 299.462 3.719 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(OCC)cc1 537240040 WUMDTYAYNMHUTO-CYBMUJFWSA-N 261.365 3.560 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCC[C@@H](OC)C2)CCCCC1 456359962 CRXOSXJZFNWXKP-JKSUJKDBSA-N 293.451 3.977 30 20 CHED C=C(CNC(=O)[C@@H](c1ccncc1)C(C)C)c1ccccc1 360219550 DGRDLSNYJLBJET-GOSISDBHSA-N 294.398 3.651 30 20 CHED C=CCC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CCCC1 459883176 FDULYAIHQMIKOA-UHFFFAOYSA-N 288.347 3.978 30 20 CHED Cc1sc(NC(=O)[C@@H]2CC23CCCC3)c(C#N)c1C 531095458 DDPPGIGLWOKFNO-LBPRGKRZSA-N 274.389 3.755 30 20 CHED CCN(CC)CCN(CCCCC#N)Cc1cccs1 267910659 CQZUNVFTDNGKGE-UHFFFAOYSA-N 293.480 3.586 30 20 CHED CCCN(CC)CCN[C@@H]1CCCCc2cc(C#N)ccc21 360655918 FJRWXMPWQSVUAG-LJQANCHMSA-N 299.462 3.647 30 20 CHED CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCC(C)(C)C#N 538691441 OOQQPUVEJVBEOS-IUODEOHRSA-N 294.826 3.945 30 20 CHED CC[C@@H](NCc1ccc(Cl)cc1C#N)C1CCOCC1 360139036 IYRKJSZJUMTLID-MRXNPFEDSA-N 292.810 3.506 30 20 CHED CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2C)C12CCC2 614402936 ZPECBOVDOYOEGC-QZTJIDSGSA-N 298.430 3.646 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1cnc(C#N)c(Cl)c1 455750639 GWUDPQZOYLLIPK-SNVBAGLBSA-N 294.786 3.553 30 20 CHED CC[C@H](C)[C@H]1CCCCN1CCOc1cccc(C#N)c1 610001888 KKBMHAHQTQBERL-MAUKXSAKSA-N 286.419 3.838 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC(F)F)cc1 453357680 OUFBNDSMYSZXKQ-DFBGVHRSSA-N 297.345 3.672 30 20 CHED C[C@@]1(C#N)CCCN(CCCCCOc2ccccc2)C1 615136911 ITUWUJQNKBBARR-SFHVURJKSA-N 286.419 3.861 30 20 CHED CCSCc1ccc(NC(=O)CC(C)(C)C#N)cc1 456512339 ZYQOVEMHNUEGJP-UHFFFAOYSA-N 276.405 3.818 30 20 CHED Cc1cc2sc(C(=O)NCC3(C#N)CC3)c(C)c2cc1C 619546207 WGUCFWUMYFRCRL-UHFFFAOYSA-N 298.411 3.860 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C)C(C)(F)F)c1ccccc1 452875168 SHOGYZBHYZNAAO-JSGCOSHPSA-N 281.346 3.896 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 455317231 APJNSYXBSNHSFY-GJZGRUSLSA-N 299.418 3.763 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)C[C@@H]1CC 540489881 HJTRAMSHUQCQCH-RDBSUJKOSA-N 252.402 3.561 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1ccccc1C)OCC 270020415 ANBFZYLNZCPQJR-ZBFHGGJFSA-N 275.392 3.544 30 20 CHED CC#CCCCC(=O)N(Cc1cccs1)C(C)C 274289203 NJHYKNHFUFXTPD-UHFFFAOYSA-N 263.406 3.679 30 20 CHED CN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CCc2ccccc21 270197865 CZOLUMUABITZTF-GOSISDBHSA-N 290.366 3.512 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(Oc2ccccc2)o1 272572736 PIJVMBAZRQWFLK-CYBMUJFWSA-N 270.332 3.663 30 20 CHED C=C(C)CNC(=O)Nc1ccc2oc(C(C)C)nc2c1 548651236 ZOEGNHXKPTUNMU-UHFFFAOYSA-N 273.336 3.649 30 20 CHED C[C@@H](CCCc1cccnc1)NCCCC(C)(C)C#N 459637733 IMJQKGKEMPHOCG-HNNXBMFYSA-N 273.424 3.712 30 20 CHED CCC[C@H]1CCCCN1C(=O)Nc1cccc(CC#N)c1 455899519 ATQZNRBPQZQLNU-INIZCTEOSA-N 285.391 3.939 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2F)c1 454683004 YRASGULMTBKDEM-LSDHHAIUSA-N 292.354 3.654 30 20 CHED C=CCOCCN[C@@H](CC)C(C)(C)c1ccccc1 549541361 PNTPJDBXDIBUBX-INIZCTEOSA-N 261.409 3.535 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C(=O)CC)cc2)CC1 626736811 LOVQOYCISOAOKF-UHFFFAOYSA-N 286.375 3.709 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1ccccc1OC 455529910 ZCRLWFNZIKJVCK-HNNXBMFYSA-N 288.391 3.508 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)c(F)c1 453376467 IHOJBAMICIUHSM-UGSOOPFHSA-N 298.361 3.563 30 20 CHED C=CCC[C@@H](CC)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 279432385 GSNKVULXFMPTCH-ZIAGYGMSSA-N 299.422 3.571 30 20 CHED C=CCCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 272542068 RVFNFBFRAMQUPS-UHFFFAOYSA-N 287.329 3.505 30 20 CHED CC#CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 277464089 PEKNSPPVEXBBIB-UHFFFAOYSA-N 284.186 3.754 30 20 CHED Cc1cc([C@H](NCCCSCC#N)C2CC2)ccc1F 272093319 NOOQXNBZMQPAKZ-MRXNPFEDSA-N 292.423 3.822 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)NCC#Cc1ccccc1 466271885 OCOKELCBDSUKCI-UHFFFAOYSA-N 286.419 3.552 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Sc2cccc(F)c2)c1 466362088 HWXUBJYKQOSHNS-UHFFFAOYSA-N 274.276 3.757 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@@H](CCCC)C(=O)OC(C)(C)C 466306125 IUXPUOYYNOUSTG-KBPBESRZSA-N 297.439 3.605 30 20 CHED N#Cc1c(N2CCC[C@H]2c2cccs2)nc2ccccn12 272931711 SVHWLWKDHKNYIA-LBPRGKRZSA-N 294.383 3.609 30 20 CHED N#Cc1cccc(NCCc2cc3ccccc3s2)n1 549232340 BSRIKYZBWZYQSW-UHFFFAOYSA-N 279.368 3.823 30 20 CHED CC(C)C[C@@H]1C[C@@H](N[C@H](C)c2cccc(C#N)c2)CCO1 272022411 NKKJNAXQJVYGLA-FHLIZLRMSA-N 286.419 3.803 30 20 CHED C=CC[C@H](CC)NCc1cccc(Br)c1OC 466391617 XPNVIMZDSDZPTF-LBPRGKRZSA-N 298.224 3.902 30 20 CHED C=CC[C@H](CC)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 545271818 KMYRWSRXGSQKEC-UHOSZYNNSA-N 286.463 3.841 30 20 CHED CC[C@](C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 289027947 KTIKMCYAXVGABN-SFNKJDCFSA-N 296.414 3.863 30 20 CHED CCCc1nsc(Sc2ccc(C#N)cc2F)n1 461944673 ASMZHIPQSKXEAC-UHFFFAOYSA-N 279.365 3.653 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2ccc(C#N)c(F)c2)cc1 464647169 JNTWWMRYKIMPPV-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(OC)c1C 626751934 XWBRRBVHPKCTBH-UHFFFAOYSA-N 276.380 3.727 30 20 CHED N#Cc1c(F)cccc1SCC[C@@H]1CCCC1=O 559629407 XCTLUQOGHDMEKK-JTQLQIEISA-N 263.337 3.549 30 20 CHED N#CCCN(C(=O)CC1=CCCCC1)c1ccc(F)cc1 553942848 CWTFRLNJNRMSKU-UHFFFAOYSA-N 286.350 3.963 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(C2CCCC2)cc1 555277134 PJBOHPGSPXPVFP-QGZVFWFLSA-N 270.376 3.766 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1cccc2cccnc12 466437054 VPOWRQPNJRLEQA-UHFFFAOYSA-N 280.371 3.966 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 466642746 BPSWXAXKEUGLRJ-STQMWFEESA-N 297.320 3.843 30 20 CHED C=CCCCC(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 377273625 PTMVJLZVUBUVNS-LJQANCHMSA-N 294.398 3.952 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1Cl 281487611 VWPRQKREHFODIZ-SNVBAGLBSA-N 252.745 3.816 30 20 CHED C=CCNC(=O)[C@H](C)SCC[C@H]1CCC[C@@H](C)C1 465460061 STFUGWZBDABVLZ-HZSPNIEDSA-N 269.454 3.627 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cccc(C2CCC2)c1 281056004 SYBGPZMFQYYUIV-KRWDZBQOSA-N 270.376 3.622 30 20 CHED C[C@@H]1CC[C@H](c2ccccc2)N(c2ncccc2C#N)C1 553337738 TVHYQOMIBBSYJO-RHSMWYFYSA-N 277.371 3.931 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C)s1 280788522 JDSLNYZIRLDMGZ-NFAWXSAZSA-N 265.422 3.688 30 20 CHED C=CCN(Cc1cnc(CCOC)s1)c1ccccc1 639092442 ZHKDXQFOYZSZFZ-UHFFFAOYSA-N 288.416 3.525 30 20 CHED C[C@](C#N)(NC(=O)c1ccc2[nH]ccc2c1)C1CCCCC1 555902364 DMXOPIBPUFHSRK-GOSISDBHSA-N 295.386 3.760 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](C)C(F)(F)F)CCCC1(C)C 470304353 VOOHZXODFDBSCO-WDEREUQCSA-N 277.330 3.778 30 20 CHED C[C@H](NC(=O)NC1[C@@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 477767823 QGDNJWCOBJVFHB-IHRRRGAJSA-N 299.418 3.743 30 20 CHED CC(F)(F)CN[C@H]1CCCCc2cc(C#N)ccc21 559886170 MGNGAHQGEBZICN-AWEZNQCLSA-N 264.319 3.571 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccc(COCCOC)cc1 291288390 RQMCXISGIGJWJZ-HZPDHXFCSA-N 291.435 3.540 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(Cl)cc2)[C@@H]1SC 807942283 NVSNSXCUYRFPQD-OLZOCXBDSA-N 284.812 3.648 30 20 CHED N#Cc1ccc(Oc2ccc(Oc3cccnn3)cc2)cc1 553486544 VDHOBELEBOLJPY-UHFFFAOYSA-N 289.294 3.933 30 20 CHED CC(C)(C)[C@@H](NC(=O)CCCC#N)c1ccc(F)cc1F 291958020 RBHXFODCCVINIZ-HNNXBMFYSA-N 294.345 3.862 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H]2C[C@H]21 807022452 GRTRRNRNESJGRV-UONOGXRCSA-N 252.402 3.541 30 20 CHED C=CCCCCCCNC(=O)c1cnn(C(C)(C)C)c1 805220258 JOPCYHSEYXBXQW-UHFFFAOYSA-N 277.412 3.504 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(c3ccc(F)c(F)c3)CC2)C1 293061274 LDTNTPZCVMPWEE-SWLSCSKDSA-N 290.357 3.836 30 20 CHED Cc1c(C#N)c(N2CCC(CF)CC2)nc2ccccc12 294948345 ITOSLJYPKYJCFW-UHFFFAOYSA-N 283.350 3.601 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 293109058 PHQVPCJECLQMES-UHFFFAOYSA-N 286.375 3.502 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N1CCCC(C)(C)[C@@H]1C#N 562421728 VSOVBCZFHFEEMZ-ILXRZTDVSA-N 276.424 3.744 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1cc(C)c(C)o1 800481752 ZPZZNSFTPFPLKJ-CQSZACIVSA-N 283.371 3.759 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCCc2ccc(SC)cc21 567869455 ALYSWYJYCRJUFS-GUYCJALGSA-N 291.460 3.560 30 20 CHED CC(C)(C)SCCON=Cc1cccc(F)c1 802726515 LPOKVYSYPNQBCV-UHFFFAOYSA-N 255.358 3.708 30 20 CHED C=CCCCCCCNC(=O)N1CCSCC[C@@H]1C 806004160 KLOYEOFVQZVEDX-AWEZNQCLSA-N 284.469 3.660 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 474080733 HDYUDYVQOWQGGE-UHFFFAOYSA-N 282.318 3.879 30 20 CHED COc1ccsc1/C=C1/Cc2nc(Cl)ccc2C1=O 806579440 HJTPTRKYRMNREO-FPLPWBNLSA-N 291.759 3.628 30 20 CHED C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)Oc1ccccc1 567970985 QVMUPEZDKAFENT-IFXJQAMLSA-N 292.382 3.603 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 569454669 CEQQRLJYEZZFNZ-CABCVRRESA-N 299.418 3.549 30 20 CHED C=CCn1c(SCCC2CC2)nc2sccc2c1=O 479206751 IHZCAUHAHFWSJD-UHFFFAOYSA-N 292.429 3.536 30 20 CHED CCCCCOc1ccc(C=NN[C@@H]2CCSC2)cc1 808003160 JSMRREPFVSBURP-OAHLLOKOSA-N 292.448 3.685 30 20 CHED C=CCCCCCNC(=O)N1CCC(OCCCC)CC1 566435329 QNDNLBZDGPEKSH-UHFFFAOYSA-N 296.455 3.724 30 20 CHED N#CCCCC(=O)Nc1ccc(Cl)c(OC(F)F)c1 291885067 JKSFJGATKCZNGQ-UHFFFAOYSA-N 288.681 3.574 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C)c(OCC)c1 565787928 MLNNYKITSIHRIP-UHFFFAOYSA-N 261.365 3.935 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2ccc(OC(C)C)cc2)no1 809318860 PKWRUZNEXMBLBD-QGZVFWFLSA-N 299.374 3.639 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)c1ccc(F)cc1 801658046 UBBHUBFZYFNBLT-WDEREUQCSA-N 253.342 3.549 30 20 CHED C[C@@H](C#N)OCCN[C@@H]1CC(C)(C)CCc2ccccc21 801953689 UMZBMHYXGBZSEL-WMLDXEAASA-N 286.419 3.608 30 20 CHED C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)c2ccccc2O1 296426951 XZYXHPQFRKXVIP-QMTHXVAHSA-N 299.761 3.931 30 20 CHED C[C@H](C=NNc1nccnc1C1CCC1)C(C)(C)C 807993409 CZKJGNGKPXWEFE-LLVKDONJSA-N 260.385 3.824 30 20 CHED C=CCCCCSCC(=O)Nc1c(F)cccc1F 569205070 XNQSQRLTHVVEJY-UHFFFAOYSA-N 285.359 3.993 30 20 CHED Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 564431264 BKMHTSIXLWNEEP-GOSISDBHSA-N 262.356 3.644 30 20 CHED C=CCC(F)(F)C(=O)OCc1nc2ccccc2s1 815315134 UTRQMRBRYJQGRY-UHFFFAOYSA-N 283.299 3.551 30 20 CHED CC#CCCNCc1cc(Cl)cc(Cl)c1OC 482168283 YCWLDSWQDOLYPC-UHFFFAOYSA-N 272.175 3.505 30 20 CHED CC(C)c1cnc(C=NNc2cc(Cl)ccn2)s1 814897911 GMMOOYJHIYZANP-UHFFFAOYSA-N 280.784 3.761 30 20 CHED Cc1ccnc(NN=C2CS[C@@H](C(C)(C)C)C2)c1 814867527 IVJKSMNEQBIDSR-GFCCVEGCSA-N 263.410 3.710 30 20 CHED C=CCC(F)(F)C(=O)N(CC)c1cccc(C)c1C 815101147 OVNIDZYHENXZBU-UHFFFAOYSA-N 267.319 3.868 30 20 CHED C[C@@H]1[C@@H](NCC#Cc2ccc(F)cc2)CCC[C@H]1C 481180054 LCBDAPHTOZFWFR-KEYYUXOJSA-N 259.368 3.592 30 20 CHED C=CCCO[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1CC 482827491 NFAJKGITLHXOIA-HOCLYGCPSA-N 287.403 3.726 30 20 CHED CC1(C)C(=NOC2CCC2)C[C@@H]1Oc1ccccc1 812236865 XQMZFYOBDZWTDU-HNNXBMFYSA-N 259.349 3.789 30 20 CHED CON(Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 812910793 OHLRNXAZPBPGMC-UHFFFAOYSA-N 286.762 3.775 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 577339046 JMGRGMYZGNYBSA-QLFBSQMISA-N 298.386 3.720 30 20 CHED C=CCSCCNC(=O)Nc1cccc(CC)c1CC 487631544 INJIQDGIWRKSKY-UHFFFAOYSA-N 292.448 3.852 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=Cc1cncn1C(C)C 819809587 KMJZVZNQJKWLRO-SFHVURJKSA-N 298.434 3.655 30 20 CHED N#Cc1cccc(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 480586794 WHPCKBCVFRDYCW-HIFRSBDPSA-N 281.334 3.841 30 20 CHED C=CCN(CC=C)Cc1ccc(OCC2CC2)cc1 483143304 KHHOHMSCIIQNMW-UHFFFAOYSA-N 257.377 3.649 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@@]1(C#N)CC1(C)C 813301103 YDKWADKQZMFPHR-CZUORRHYSA-N 264.413 3.791 30 20 CHED C=CCC1(NCc2ccc(C)cc2Cl)CCOCC1 657634175 DLHRCDSVDCCZQY-UHFFFAOYSA-N 279.811 3.863 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(F)c(F)c(F)c1F 489719816 WUEUWAMEDTYUTH-UHFFFAOYSA-N 289.272 3.575 30 20 CHED C#Cc1cccc(N[C@@H]2CCC[C@H](CCCC(=O)OC)C2)c1 815135567 PNFQVBWBVMLUDG-SJLPKXTDSA-N 299.414 3.982 30 20 CHED Cc1cc(NCC2(C#N)CC2)c2ccc(F)c(F)c2n1 571734520 NRBVRZLHTMHKKS-UHFFFAOYSA-N 273.286 3.537 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 816347120 OHWYTUVYUMMQFM-GJZGRUSLSA-N 293.357 3.725 30 20 CHED CC(=NNc1ccccc1F)c1ccc(C)c([N+](=O)[O-])c1 812459254 UHWCOFTZFMGVAK-UHFFFAOYSA-N 287.294 3.878 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCc1sccc1C 488821299 VLKUAUDPWOIZGE-CQSZACIVSA-N 277.433 3.946 30 20 CHED CN(Cc1ccc(N2CCCCC2)cc1)CC(C)(C)C#N 816632804 ZVULDGDSFHYMSE-UHFFFAOYSA-N 285.435 3.658 30 20 CHED N#CC1(CN=c2ccc3ccc(Cl)c(Cl)c3[nH]2)CC1 577805244 RZQCBCQQXAAAIB-UHFFFAOYSA-N 292.169 3.679 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C2CC2)cc1 815931150 QCEIUDMDYVFHJZ-UHFFFAOYSA-N 251.276 3.714 30 20 CHED C=CCCc1noc(COc2cc(C)ccc2Cl)n1 651357538 NCSGAHWGGRMHOZ-UHFFFAOYSA-N 278.739 3.729 30 20 CHED Cc1cc(/C=C2/Cc3c(O)cccc3C2=O)ccc1F 729148962 DHYVJBIFPNKBPH-WQLSENKSSA-N 268.287 3.662 30 20 CHED Cc1cc(C=NNc2cccc([N+](=O)[O-])c2C)ccc1F 729145104 IXOJICSXMHTJNM-UHFFFAOYSA-N 287.294 3.797 30 20 CHED C#Cc1cccc(N(C(=O)Cc2ccc(F)cc2)C(C)C)c1 728247868 SRJXJUYPDUWQPE-UHFFFAOYSA-N 295.357 3.791 30 20 CHED CC(C)Cc1ccc(C(=O)N2CCC[C@H](CC#N)C2)s1 824745871 HZHOFOOTSPZSKR-CYBMUJFWSA-N 290.432 3.712 30 20 CHED CC(C)n1ccn(CN(CCC#N)CC(C)(C)C)c1=S 729467841 GMFRDTKINFJYQL-UHFFFAOYSA-N 294.468 3.819 30 20 CHED C=CCCCCC[C@@H](C)NCc1nn(C)cc1Cl 824758236 PCASEYNEZXYQBG-GFCCVEGCSA-N 269.820 3.688 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCC1(C#N)CCC1 903033099 PMXCSVZKGUIDQA-KRWDZBQOSA-N 279.387 3.609 30 20 CHED CC(C)(O)c1ccc(-c2ccc(OCCC#N)cc2)cc1 904768276 GIYSCFZQDRUDBI-UHFFFAOYSA-N 281.355 3.873 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccnc(Cl)c2Cl)C1 826862268 XTWUUWIESWHUNS-JTQLQIEISA-N 284.190 3.514 30 20 CHED C=CCC[C@H](N[C@@H]1CSC1(C)C)c1ccco1 584129264 RQWBKJYAPSDFRM-WCQYABFASA-N 251.395 3.771 30 20 CHED C=CCCCCSCC(=O)N(C)Cc1cccs1 580301309 AEMDYCLWIHWATG-UHFFFAOYSA-N 283.462 3.796 30 20 CHED CC[C@@H](CC(=O)OCc1cc(C#N)ccn1)c1ccccc1 908995279 NQKCAOVQKAJHQQ-HNNXBMFYSA-N 294.354 3.580 30 20 CHED CCn1cncc1/C=C\C(=O)c1ccc(OC(C)(C)C)cc1 901488466 DHUCBNDCFAGTLI-FLIBITNWSA-N 298.386 3.976 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc4ccccc4c3)no2)n1 589372062 BNEHEUXZLQRABQ-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CCCSCC(=O)N(O)Cc1cccc2ccccc12 901369918 KFHJVIRRORHIPV-UHFFFAOYSA-N 289.400 3.701 30 20 CHED CC(C)[C@H](CNC(=O)C#CC(C)(C)C)c1ccccc1 837342328 STZMUTFIVJRRSH-INIZCTEOSA-N 271.404 3.592 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccccc1F 739424465 JYVRQUIKVNICGU-VQHVLOKHSA-N 285.274 3.938 30 20 CHED Cc1cc(C)cc([C@H](C)/N=C/c2ccc(O)c(O)c2O)c1 730434102 FWMSQLDRJJHAOV-BEAUZRKQSA-N 285.343 3.600 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)s1 731155769 SIVFSDHJMJIMFE-SREVYHEPSA-N 286.352 3.935 30 20 CHED N#Cc1ccnc(CNc2ccc3c(c2)CCCCC3)c1 901424768 KHTPGKBHROGAND-UHFFFAOYSA-N 277.371 3.834 30 20 CHED Cc1nc(/C=C2/CCc3ccc(Cl)cc3C2=O)[nH]c1C 901491774 VWPNFYWICBWYIG-GHXNOFRVSA-N 286.762 3.892 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 584749844 ZHFDEOXZDDYUBJ-ZIAGYGMSSA-N 290.455 3.678 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](CC)c1ccncc1 839012527 TULVFZIVJBUJEG-HNNXBMFYSA-N 259.349 3.844 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@H](c1ccccn1)C1CC1)CC2 903334484 AOIZZAZKDYBFLR-HKUYNNGSSA-N 289.382 3.681 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1ccc(Cl)s1 834995668 JTFMGVHZDMLSBM-ZCFIWIBFSA-N 270.707 3.666 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 835178034 JWKQXUXBJORGAX-ZJUUUORDSA-N 270.250 3.531 30 20 CHED CCCc1csc(NN=C(C)c2ccccc2)n1 738413153 NYZRQYIGMCUJRR-UHFFFAOYSA-N 259.378 3.932 30 20 CHED CC(C)CC[C@H]1CCC(=NNC[C@H]2CCSC2)C1 834979596 JTUQUQYWNXDCGL-UONOGXRCSA-N 268.470 3.921 30 20 CHED CCn1cncc1/C=C1/CCOc2c(C)cc(C)cc2C1=O 901485727 MTAYEWDGGUSZGP-ZROIWOOFSA-N 296.370 3.569 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCC[C@H]1C1CC1 839808113 URKVNCJEYACMOT-HOTGVXAUSA-N 261.409 3.513 30 20 CHED CCCCCCCCCC(=O)NC[C@]1(C)CCOC1 733119877 BHOWQDDFICESCE-INIZCTEOSA-N 269.429 3.670 30 20 CHED Cc1cc(N2CCS[C@@H](c3ccccc3)C2)cc(C#N)n1 588005082 JAQBGEXVHMGVHC-QGZVFWFLSA-N 295.411 3.556 30 20 CHED CC(C)[C@@H](C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 733679611 CGZUWFNFRIBKNS-TZMCWYRMSA-N 266.344 3.703 30 20 CHED C=CCC1(C(=O)OCCCOCC(F)(F)F)CCCC1 835257731 DUAHALXXNAWQJN-UHFFFAOYSA-N 294.313 3.635 30 20 CHED CCC(CC)NN=Cc1cc(C)n(-c2nccs2)c1C 734366438 RSACQWZDBPWGFR-UHFFFAOYSA-N 290.436 3.663 30 20 CHED c1ccc(C[C@H]2CCCC2=NNc2ccccn2)cc1 735609944 HRWPLEHNTUHXBV-OAHLLOKOSA-N 265.360 3.892 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(F)cc1OC(C)(C)C 837504722 BUTAGDOEVKQCBZ-UHFFFAOYSA-N 291.366 3.991 30 20 CHED C[C@@H](OC(=O)C#CC(C)(C)C)c1nccn1-c1ccccc1 838372891 YXFLABFKXUHTMK-CQSZACIVSA-N 296.370 3.526 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 834904146 VPPYRXIDCSQNTI-HNNXBMFYSA-N 299.418 3.557 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C2(Cc3ccccc3)CC2)C1 839050739 CETSCGRJASEPHA-HOTGVXAUSA-N 283.371 3.635 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCC1=CCCC1 595097349 TWHLZICDLMBUHR-KRWDZBQOSA-N 252.361 3.636 30 20 CHED CCON(CC1CCCCC1)[C@H]1CC[C@H](C#N)C1 832791731 YXVVJUNPEHKFKG-GJZGRUSLSA-N 250.386 3.512 30 20 CHED CCN(Cc1ccoc1)C(=O)Nc1cc(C)cc(C#N)c1 590859058 QSWVYFUKQSYTJF-UHFFFAOYSA-N 283.331 3.514 30 20 CHED N#Cc1cccc(Cl)c1N1CCC2(CC1)CC2(F)F 593498951 VLMMTHJHKKBFTE-UHFFFAOYSA-N 282.721 3.837 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(F)cc1 917549468 ODFDOUGMXKIFIO-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc2c(c1)CCO2 839384444 YFBHNUSNCFZMGK-UHFFFAOYSA-N 270.307 3.597 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cnc2ccccn12 740765841 WUHOJVNVVDVTFF-AATRIKPKSA-N 268.341 3.600 30 20 CHED C=CCC[C@H](OC(=O)[C@H]1CC12CCSCC2)C1CC1 835243527 OBZPMHSJJJJQSY-KGLIPLIRSA-N 280.433 3.808 30 20 CHED Fc1cc(C=NOCc2cccnc2)cc(C(F)(F)F)c1 746586417 YHVHLEBBSSCYNF-UHFFFAOYSA-N 298.239 3.790 30 20 CHED CC(C)[C@@H](O)Cc1ccccc1-c1cccc(F)c1C#N 596639425 QEWXUEMFTUYFFV-SFHVURJKSA-N 283.346 3.924 30 20 CHED CCN(C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21)[C@@H](C)C#N 598361368 HMWGLPQXKFIBEO-KKUMJFAQSA-N 284.403 3.737 30 20 CHED N#CC[C@H]1CCCN(C(=S)Nc2cccc(Cl)c2)C1 849272285 GKDBDCKNSXNPSW-LLVKDONJSA-N 293.823 3.662 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2ccc(CC(=O)O)cc2)c1 915988440 WMMKTMGSIKIWDJ-KTKRTIGZSA-N 294.350 3.827 30 20 CHED CC[C@H]1c2ccccc2CCN1C(=O)C#Cc1ccccc1 747394913 AHBGIHSRZJTFMV-IBGZPJMESA-N 289.378 3.574 30 20 CHED C=C(Cl)COC(=O)CCCOc1ccccc1OCC 916610163 IMHDTRXMJPQWTR-UHFFFAOYSA-N 298.766 3.540 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(Cl)nc2)C12CCCC2 743449963 IGZSLTUWIHNZDM-CYBMUJFWSA-N 293.798 3.872 30 20 CHED C#CCCCNC(=O)N[C@H](CC(C)(C)C)c1ccccc1 743692562 JVLKCYDCRHGMDQ-MRXNPFEDSA-N 286.419 3.877 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N(C1CC1)[C@@H](C)C#N 598132158 GDXJFOBCNYLPBJ-GJZGRUSLSA-N 284.403 3.548 30 20 CHED Cc1cccc([C@@H](C)NC(=O)N2CCC[C@H](CC#N)C2)c1C 596312782 XJPPEZSJGRDTSS-HZPDHXFCSA-N 299.418 3.700 30 20 CHED C=C(Cl)C[S@@](=O)[C@H](C)c1ccc2c(c1)CCC2 841725459 KLSYDIBLSBUSDJ-PIGZYNQJSA-N 268.809 3.738 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@H](CC)C1)C(C)C 741091661 UGDCWCJWDTXCAB-UONOGXRCSA-N 252.402 3.561 30 20 CHED COc1ccc(-c2ccccc2C[C@H](O)C(C)C)cc1C#N 596637518 YYOKLMBNAKLHAQ-SFHVURJKSA-N 295.382 3.793 30 20 CHED CC[C@H](C)N(CC)Cc1c(C#N)c(C)nn1-c1ccccc1 595600823 PHCCHNJDWRKEKZ-AWEZNQCLSA-N 296.418 3.673 30 20 CHED CC#CCCCC(=O)NCCC(C)(C)c1ccccc1 680996816 UDKHUXSXUCTRCV-UHFFFAOYSA-N 271.404 3.664 30 20 CHED N#CCCCOC(=O)Cc1ccc(-c2ccccc2)cc1 916597197 RALTWHQBYANHDO-UHFFFAOYSA-N 279.339 3.743 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)c1ccc(F)c(F)c1 843269834 UMAPIFREQWJGMP-XQRVVYSFSA-N 290.313 3.713 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1F 590982078 LWMZVPXIUKOPCI-ZIAGYGMSSA-N 288.366 3.877 30 20 CHED O=C1/C(=C\c2coc3ccccc23)Oc2cc(O)ccc21 746521155 WASSLJJACKWRAP-FRKPEAEDSA-N 278.263 3.755 30 20 CHED CCCCCCCCN1CCO[C@@H]2C[C@H](N(C)C)CC[C@H]21 749535091 GTXDFQSPHYWYKX-KZNAEPCWSA-N 296.499 3.530 30 20 CHED C[C@H](C#N)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 595717005 KHYKQNPBVMGOEY-SNVBAGLBSA-N 268.282 3.582 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(F)ccc1F 45934563 JFXDMKDXDSYTLJ-UHFFFAOYSA-N 287.309 3.793 30 20 CHED Cc1cc(C#N)ccc1N(C)C[C@@H](C)c1nccs1 846750438 DEEBRABNPUBAFG-GFCCVEGCSA-N 271.389 3.563 30 20 CHED CC(=O)c1ccc(F)cc1OCc1ccc(OCC#N)cc1 742356674 UTLJCLUWZMOSIW-UHFFFAOYSA-N 299.301 3.510 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1CCSc2ccccc21 929392074 ZUVRGSGYHCQSBW-GXTWGEPZSA-N 275.417 3.942 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(C#N)cc1)O2 759117037 HVKGZKCYMXMTPW-MFOYZWKCSA-N 275.307 3.791 30 20 CHED C#C[C@@H](CC)NC(=O)c1c(-c2ccccc2)oc(C)c1C 754391088 ZNYFZLZDCSJNQG-HNNXBMFYSA-N 281.355 3.705 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1cc2ccc(C)cc2o1 754943930 VGYRIHSDPWJBNZ-UHFFFAOYSA-N 294.314 3.745 30 20 CHED Clc1nc(Cl)c(C=NOCC2CCC2)s1 853439129 BXMXEFAJQOQENZ-UHFFFAOYSA-N 265.165 3.601 30 20 CHED CC[C@@H](CC(=O)OCCCCC#N)c1ccc(OC)cc1 751814474 YVZCXMJITUCRCQ-AWEZNQCLSA-N 289.375 3.816 30 20 CHED Cc1csc(C=NNc2ccc(Cl)cc2)n1 755462000 MEWQUVVLADNOQO-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CCCCCCCCC(=O)Nc1cnc2n[nH]c(C)c2c1 920212422 CTKQJSFXWCLHRK-UHFFFAOYSA-N 288.395 3.955 30 20 CHED C=CCN(C(=O)/C=C(\C)c1ccc(F)cc1)C(C)C 921278549 FIAVHTVLHDAXQU-ACCUITESSA-N 261.340 3.652 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c(F)c1 750696904 KCJKFRISWHAMRK-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCc1c(C)noc1C 851142419 QGPASUXKRCDMLG-ZBFHGGJFSA-N 291.391 3.902 30 20 CHED C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1cccc(C#N)c1 921109111 ZAQLDCBXEXOWSV-ZDUSSCGKSA-N 297.329 3.619 30 20 CHED O=C(/C=C\c1cccc2c1OCO2)c1cc(F)ccc1F 757476737 ZPFGTFDHUNUFDM-DAXSKMNVSA-N 288.249 3.590 30 20 CHED N#CC1(CC(=O)O[C@H]2CCOc3ccccc32)CCCCC1 850917622 UBMNFGNOPFZMCS-INIZCTEOSA-N 299.370 3.918 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 929132786 KAJHIGIWUWIAKL-ZDUSSCGKSA-N 279.343 3.607 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 754389744 DSSRLRGXHHCJBD-WMLDXEAASA-N 271.404 3.517 30 20 CHED C=CCOCC(=O)O[C@H](C)c1cc(Cl)ccc1Cl 752524457 LQKYJADMIJQDEJ-SECBINFHSA-N 289.158 3.800 30 20 CHED Cc1cc(C=NNc2nc(C(F)(F)F)cs2)c(C)[nH]1 755904504 OMJJVVLIDJDMOK-UHFFFAOYSA-N 288.298 3.553 30 20 CHED C[C@H](C=NNc1ccc(F)cn1)c1ccc(F)cc1 756890156 SJHNBFPJTZJNBM-SNVBAGLBSA-N 261.275 3.561 30 20 CHED CCOc1cccc(/C=C2/Cc3c(OC)cccc3C2=O)c1 759666817 VOXRLOBDVWITJR-UVTDQMKNSA-N 294.350 3.916 30 20 CHED C#Cc1ccc(NC(=O)Nc2cnn(CCCC)c2C)cc1 934931966 URQUGGJZNMWULP-UHFFFAOYSA-N 296.374 3.617 30 20 CHED COc1ccc(C[C@H](C)C=NOCC(C)C)cc1F 758129998 SZLMIRAEEOJIET-LBPRGKRZSA-N 267.344 3.671 30 20 CHED CC1(C)C(=NNc2ncc(F)cc2F)[C@H]2CCC[C@H]21 853355915 LOJNAKNDWWFHQW-VHSXEESVSA-N 265.307 3.584 30 20 CHED COc1ccc(O)c(/C=N/Cc2ccc(F)c(Cl)c2)c1 750950270 RSMTYCLQLXSHQX-GIJQJNRQSA-N 293.725 3.812 30 20 CHED CC[C@@H]1CCCC1=NNCc1cnc2ccccc2c1 764776358 YVEQXISMIVDNLV-CQSZACIVSA-N 267.376 3.891 30 20 CHED C#CCN(C(=O)N[C@H](C)CCC1CCCCC1)C1CC1 764727746 ZQQWGPWOFSKWQK-CQSZACIVSA-N 276.424 3.543 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(F)c(O)c(F)c1 768755470 TZRIIJHMKLVFRE-UHFFFAOYSA-N 297.301 3.547 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc(C)cc1 768381608 JOAXBCKPMIMWGO-UHFFFAOYSA-N 284.750 3.751 30 20 CHED C#CCCCC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 863809843 XOPQOCPHWJEDFZ-OAHLLOKOSA-N 275.779 3.637 30 20 CHED C[C@@H](C=NNc1ccc(Cl)nn1)c1cccc(Cl)c1 763340329 VGYYTAWOHWXRDD-VIFPVBQESA-N 295.173 3.985 30 20 CHED C#CCCCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1 766744416 XCKLFROBVXOXDF-UHFFFAOYSA-N 296.244 3.604 30 20 CHED CC(=O)CCCCCCC(=O)Nc1cc(F)cc(C#N)c1 869860300 BIKCCGWWFHGAMM-UHFFFAOYSA-N 290.338 3.565 30 20 CHED CCCC(=NNc1cncnc1)c1cc(C)sc1C 863111672 FKQGMWOTYMHPFZ-UHFFFAOYSA-N 274.393 3.771 30 20 CHED Cc1cccc([C@H](O)CNc2ccc(C#N)c(Cl)c2)c1 132534714 WMQOONABULZGTN-MRXNPFEDSA-N 286.762 3.666 30 20 CHED N#Cc1ccccc1COC(=O)c1ccc(Cl)c(F)c1 765934080 YBXROOJXAFEMMM-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=CCC[C@H](NC[C@H](C)CC1(C)OCCO1)c1ccco1 866425564 MNSDYEVCLLDPTR-CABCVRRESA-N 293.407 3.666 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 767252664 QVEPBLRBAMCVIF-CUOATXAZSA-N 296.197 3.577 30 20 CHED C=CCCC(=O)COC(=O)c1cc(Cl)ccc1Cl 761360852 MCCNAWVTXOJXHX-UHFFFAOYSA-N 287.142 3.686 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1cccc(C#N)c1 767337173 ZJZQCOJFBCNCKZ-UHFFFAOYSA-N 274.327 3.794 30 20 CHED Cc1cc(/C=C/C(=O)c2cccs2)ccc1C#N 766482575 BOSKMKOIQCZOBA-FNORWQNLSA-N 253.326 3.824 30 20 CHED Cc1cccc(C)c1C=NNc1ccc(F)c([N+](=O)[O-])c1 769829627 GAJIJWSUBIMDKZ-UHFFFAOYSA-N 287.294 3.797 30 20 CHED C(=NNc1cccnn1)c1ccc(-c2ccccc2)s1 1116100282 VRJFIRBUTFTZJK-UHFFFAOYSA-N 280.356 3.651 30 20 CHED COc1ccc(NN=CCc2ccc(F)cc2Cl)nc1 766477855 KHNMFFZEWYIWTC-UHFFFAOYSA-N 293.729 3.523 30 20 CHED Cc1cc(OC(=O)[C@H]2CCC[C@H](C)C2)ccc1C#N 765092097 QGGLCJHTSANKBK-AAEUAGOBSA-N 257.333 3.598 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 761431942 VQVBUULGULRWHA-RBSFLKMASA-N 278.392 3.671 30 20 CHED CC(C)CCN(CCC#N)CCc1ccc(F)cc1 1116501845 MDOBMYHXYYEJLL-UHFFFAOYSA-N 262.372 3.630 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1ccc(C(=O)O)o1 773072506 GRETYLUMTRNBCW-UHFFFAOYSA-N 296.685 3.606 30 20 CHED C#CCCN[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 775253156 OYGSEZFEHMWIQR-LJQANCHMSA-N 297.373 3.731 30 20 CHED C=C(CC)COC(=O)[C@H](C)SCc1ccccc1 773496749 NPBJNULSEGTLPK-ZDUSSCGKSA-N 264.390 3.818 30 20 CHED CC(C)CCSCC(=O)Nc1cc(C#N)c(F)cc1F 876345598 MTAVEULXRVQHQV-UHFFFAOYSA-N 298.358 3.554 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 879496142 FUNQTNBRHQGTQX-HZPDHXFCSA-N 287.403 3.625 30 20 CHED Cc1nnc(SCSC(C)(C)C)c(C#N)c1C 871646538 MUMMCQIERNJACS-UHFFFAOYSA-N 267.423 3.546 30 20 CHED COc1cc(/C=C/C(=O)c2occc2C)ccc1F 1116377679 MJUXJDHFCGGXCS-GQCTYLIASA-N 260.264 3.632 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CC[C@H]2SCCS[C@H]12 773137366 PUGGSKVYLLZKSO-REWJHTLYSA-N 271.495 3.700 30 20 CHED CC(C)(C)C[C@H](/N=C/c1cccc(O)c1O)C(F)(F)F 777873046 GMYZOJCUDMGYRX-SXUYUPPPSA-N 289.297 3.884 30 20 CHED C=CCCc1ccccc1NC(=O)N1CC[C@@H](CF)C1 879495134 BLRFGVUQXFFXMW-ZDUSSCGKSA-N 276.355 3.629 30 20 CHED C(=NOC1CCCCC1)c1cnn(Cc2ccccc2)c1 777457247 PNEFTEAUNLYRIQ-UHFFFAOYSA-N 283.375 3.615 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)c(F)c1)c1cscn1 776192374 JGNKMLJICUGWDC-IWQZZHSRSA-N 299.273 3.780 30 20 CHED CCCOc1ccc2[nH]cc(C=NNCC(C)C)c2c1 771559994 AQAOGFMSYOWDAT-UHFFFAOYSA-N 273.380 3.536 30 20 CHED COc1cc(/C=C2\CCCC(C)(C)C2=O)ccc1[N+](=O)[O-] 770571586 FVAIRSFORXAVLH-FMIVXFBMSA-N 289.331 3.766 30 20 CHED C=CCC[C@@H](C(=O)OC[C@@H]1CCCCO1)c1ccccc1 777412844 VVVWVRYJFXIVEK-DLBZAZTESA-N 288.387 3.849 30 20 CHED C=CCC[C@H](CC)N[C@@H](C(=O)OC)c1cc(F)ccc1F 779178355 JIXMOZHWTCAVAZ-SWLSCSKDSA-N 297.345 3.513 30 20 CHED CC(CCCC(F)(F)F)=NNc1ncccc1[N+](=O)[O-] 774389970 ZEQFMLMCSNJLQU-UHFFFAOYSA-N 290.245 3.510 30 20 CHED COc1ccc2oc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)c(C)c2c1 1122638990 CGNIEAGMTSGEAS-DGCLKSJQSA-N 299.326 3.599 30 20 CHED CC(Cc1ccsc1)=NOCCC(F)(F)F 777458693 AIOQJSXTOMIXDV-UHFFFAOYSA-N 251.273 3.636 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCc2cc(F)ccc21 1124954440 OVZXAGCFYZDYMM-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccco1)CC(F)(F)F 887741638 CFHSCDUMPNICRK-UHFFFAOYSA-N 289.297 3.773 30 20 CHED Cc1c(Cl)cnc(N2CC=C(c3ccccc3)C2)c1C#N 784167933 KIMNWMIDIXHRGM-UHFFFAOYSA-N 295.773 3.819 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccccc2F)c(Cl)c1 783821707 ONZODWDRISDVHI-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C=C(CC(C)C)C(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 1123838761 WCDQGGGUOJJKJK-INIZCTEOSA-N 284.403 3.738 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1oc(C(C)C)nc1C 1120813767 MMHCCXYCUVFDLB-CYBMUJFWSA-N 276.380 3.677 30 20 CHED CCCCC[C@@H](CC)C(=O)N1CCC[C@](C)(C#N)C1 784745576 KHFULQZAHDKWJQ-GDBMZVCRSA-N 264.413 3.745 30 20 CHED N#Cc1c(Br)cccc1NC1CCCC1 164978294 XIZBGVWYIRWWMS-UHFFFAOYSA-N 265.154 3.675 30 20 CHED COc1cc(C(=O)O)ccc1NN=CC(C(C)C)C(C)C 789033905 KMRUPPRIWAHVIY-UHFFFAOYSA-N 292.379 3.719 30 20 CHED CCOCCC=NN=C1c2ccccc2-c2ccccc21 788422698 VBGXHVZEXKLLGL-UHFFFAOYSA-N 278.355 3.917 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2c2ccc(F)cc2)nc1 783292513 ASLUVHLABPNBSR-QZTJIDSGSA-N 295.361 3.518 30 20 CHED CCCCCCCS(=O)(=O)Nc1cc(C(C)C)on1 799640548 VSRVRTAGUYGDNE-UHFFFAOYSA-N 288.413 3.510 30 20 CHED N#Cc1c(F)cccc1N[C@@H](c1ccncc1)C1CC1 897422697 PLRBKRIFVFDBNB-MRXNPFEDSA-N 267.307 3.656 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)[C@H]1CCCOC1 793553437 MILHYNNFVQLKBA-XHSDSOJGSA-N 253.430 3.916 30 20 CHED Cc1[nH]c2ccccc2c1C=NN[C@@H](C)C(C)(C)C 793114059 JBKYMUDLERAIDC-LBPRGKRZSA-N 257.381 3.834 30 20 CHED CC[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(Cl)c1 189581564 BWYOYLVHHQNLFP-MRXNPFEDSA-N 287.794 3.791 30 20 CHED CCO[C@@H]1CC(=NNCCC(F)(F)F)C12CCCCC2 794546121 QSTIEEPRRQSGTH-GFCCVEGCSA-N 292.345 3.644 30 20 CHED CC(C)(C#N)COC(=O)c1ncccc1Oc1ccccc1 799624083 VWEAHABJNQHYFI-UHFFFAOYSA-N 296.326 3.580 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)ccc1Cl 562511240 CIPSOVFQFPGZHB-NRUUGDAUSA-N 274.751 3.586 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C=O)c(C)cc1C 793774695 AVAMIFDYDWSTNA-AWEZNQCLSA-N 273.376 3.591 30 20 CHED CC(/C=C/C(=O)c1ccnc(O)c1)=C\c1ccccc1 791433136 QBUJHJBULZQGDZ-IGOCJVNJSA-N 265.312 3.630 30 20 CHED FC(F)(F)CCNN=C1CCc2ccc(Cl)cc21 794552652 QXIINOMTPMBOLI-UHFFFAOYSA-N 276.689 3.532 30 20 CHED CC(=NNc1nccn1C)C1(c2ccccc2)CCCC1 790305313 JKZAAVOZBQZLHS-UHFFFAOYSA-N 282.391 3.720 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](c1ccccc1)C1CCC1 791018726 CBGFOBQCKICMAX-DLBZAZTESA-N 284.403 3.629 30 20 CHED CC(C)[C@@H]1CCCC(=NNCCC(=O)OC(C)(C)C)C1 794529360 CGAYACJAGNYJDL-CYBMUJFWSA-N 282.428 3.510 30 20 CHED Cc1cc(Oc2ncc(Cl)cn2)c(C)c(C)c1C#N 572610530 VUFSGKHHBZLEAQ-UHFFFAOYSA-N 273.723 3.719 30 20 CHED C[C@@H](NN=C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C 793113894 COIAIPXAVKJTCY-HJNACSFCSA-N 275.352 3.618 30 20 CHED CCc1occc1C(=O)OCCCCC(C)(C)C#N 797487240 YWAKGUFJRQTZMI-UHFFFAOYSA-N 263.337 3.719 30 20 CHED C[C@@H]1CCC[C@H](N(C)c2nc(C#N)c(Cl)s2)C1 1162298057 XMSCWNGYVSBHKK-BDAKNGLRSA-N 269.801 3.683 30 20 CHED CC(=NNCc1ccc(F)cc1)c1cnc2ccsc2c1 1319372837 LFEYAVMVQMSJGA-UHFFFAOYSA-N 299.374 3.949 30 20 CHED N#Cc1cccc(-c2nnc([C@H](F)Cc3ccccc3)o2)c1 1327306556 VHTXWWGJBVKVRE-OAHLLOKOSA-N 293.301 3.862 30 20 CHED CC(C)N(CCc1ccccc1)C(=O)C#CC(C)(C)C 1328183539 DISUSMZNIWMBJS-UHFFFAOYSA-N 271.404 3.516 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 1328390681 GXFAJCQZNOMSHH-OLZOCXBDSA-N 293.357 3.883 30 20 CHED COc1cc(NC(=O)C2(C)CCCCC2)c(F)cc1C#N 1338076366 OCOMNGBWHMAQPV-UHFFFAOYSA-N 290.338 3.615 30 20 CHED C=C[C@H](COC)N[C@@H](CC)c1cccc(Br)c1 1338114313 YWQFSBFRVZMDQR-KGLIPLIRSA-N 298.224 3.691 30 20 CHED CCOc1cccc(/C=N/[C@H](C)c2ncccc2C)c1O 1337620445 BGPNRZYXYDBPHB-OTGIAGGSSA-N 284.359 3.674 30 20 CHED CCC[C@H](CC)C(=O)Nc1ccc(Cl)c(C#N)c1 1264297811 VDRBMKTVJMKXRX-JTQLQIEISA-N 264.756 3.976 30 20 CHED C[C@@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccco1 1349221250 IRTDRMJJHQUSAJ-JTQLQIEISA-N 288.734 3.937 30 20 CHED CC[C@H](C)C(=O)O[C@@H](c1cccs1)[C@@H](C#N)CC 1263524629 PVPKPBYVIDUMDG-DMDPSCGWSA-N 265.378 3.928 30 20 CHED CCC[C@H]1CCCN1C(=O)c1cc2ccccc2n1CC#N 1262646467 CWHWMUUKSADHKG-HNNXBMFYSA-N 295.386 3.570 30 20 CHED C=CCN(C)C(=O)c1ccc(-c2cccs2)s1 1343089138 NCZMATQRHXUXAR-UHFFFAOYSA-N 263.387 3.735 30 20 CHED C=C(CC)C(=O)Nc1ccc(F)cc1OCCC 1351646038 QKNOWBFHYXNIKE-UHFFFAOYSA-N 251.301 3.519 30 20 CHED Cc1ccccc1C1(C(=O)N(C)[C@H](C)CC#N)CCCC1 1518825174 NAMOECUZYCZSAQ-OAHLLOKOSA-N 284.403 3.567 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 1457713329 JOOLKYXVQBUTGA-UONOGXRCSA-N 270.376 3.878 30 20 CHED N#Cc1cccc(N[C@@H]2CCC[C@H](CCCC(=O)O)C2)c1 1608218159 IJAKKFDOCGPDGS-UKRRQHHQSA-N 286.375 3.784 30 20 CHED C=CCCC[C@@H](Nc1cncc(C(=O)O)n1)c1ccccc1 1602872701 MQLZQWDWDPJTSR-CQSZACIVSA-N 297.358 3.684 30 20 CHED N#Cc1cc(=NCC2(c3ccccc3)CCCCC2)cc[nH]1 1611762722 NNPXPYGFESSLHR-UHFFFAOYSA-N 291.398 3.689 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1nc2ccccc2[nH]1 1473573548 PBBVZQXJLOSKEQ-CYBMUJFWSA-N 290.370 3.628 30 20 CHED Cc1cc(C#N)nc(Nc2ccc(OCCC(C)C)cc2)n1 1472706721 WCWGPDKGLDITDG-UHFFFAOYSA-N 296.374 3.825 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(F)cc1Br 119326789 CLVWSCKXSFFCLY-BDAKNGLRSA-N 272.161 3.813 30 20 CHED Cc1cccc(C)c1CN(CC(C)C)c1ccc(C#N)nn1 1559219776 AJAOGVNBUBYGAW-UHFFFAOYSA-N 294.402 3.628 30 20 CHED CO[C@H]1c2ccccc2C[C@H]1Sc1ccccc1C#N 1643710204 WQNYKWMQQRQEDI-SJORKVTESA-N 281.380 3.963 30 20 CHED COc1ccc([C@@H](C)Nc2cc(C)c(C#N)cn2)cc1F 1655216949 JGYDWIYYMYEYCN-LLVKDONJSA-N 285.322 3.583 30 20 CHED N#Cc1cccc([C@H](O)CN(CC2CC2)C2CCCCC2)c1 1653309260 ZMUBSLIKRDZMNF-LJQANCHMSA-N 298.430 3.636 30 20 CHED C[C@H]1CC[C@@H](c2ccccc2)N(Cc2cc(C#N)ccn2)C1 1658598122 VZCYJIJFFUTEQH-KXBFYZLASA-N 291.398 3.926 30 20 CHED CC(C)C(CN1CC(Oc2ccc(C#N)cc2)C1)C(C)C 1658299470 WTQJYTLOLQYNHH-UHFFFAOYSA-N 286.419 3.549 30 20 CHED Cc1cc2c(NC(=O)C[C@@H](C)CC(C)C)n[nH]c2cc1C#N 1583608722 BSLRTVDUYPXWGD-NSHDSACASA-N 298.390 3.754 30 20 CHED C=C(C)C[C@@H](NCc1ccc(-c2ccccc2)cc1)C(=O)O 1776137779 WENVEKSVNPWWRL-GOSISDBHSA-N 295.382 3.863 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)CC1 1776063893 NXZZIKWFIPEGQR-SNVBAGLBSA-N 278.327 3.892 30 20 CHED O=C(NC1CCCC1)c1ccc(C#Cc2ccccc2)cc1 12607606 KDLJYEKIDDSYRJ-UHFFFAOYSA-N 289.378 3.759 30 20 CHED N#Cc1cccc(-c2csc(NC(=O)C3=CCCC3)n2)c1 161147408 VMMDOILMWLQMDV-UHFFFAOYSA-N 295.367 3.731 30 20 CHED CCCCCCCS(=O)(=O)Cc1ccc(F)c(F)c1 164593393 XXUSEPGOUYSMEC-UHFFFAOYSA-N 290.375 3.850 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2c(F)ccc(F)c2C1 151792231 YTYBMPTXQWBUHT-UHFFFAOYSA-N 291.341 3.618 30 20 CHED C=CCCCNc1cccc(OC[C@H]2CCCO2)c1 157140889 DHEMKQLYUXKOOE-MRXNPFEDSA-N 261.365 3.623 30 20 CHED CC[C@@H](C#N)OC(=O)CCC(C)(C)c1ccccc1 155681205 DPCYFRIITAORPU-AWEZNQCLSA-N 259.349 3.590 30 20 CHED C=CCCCCCN(C)C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 156835940 RVSPOIGDSPGMQQ-XYPWUTKMSA-N 291.435 3.587 30 20 CHED N#Cc1cccc(CNCc2ccc(Cl)cc2F)c1 157306246 MPOOLSKWEADPBD-UHFFFAOYSA-N 274.726 3.641 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC1(CCOC)CC1 657928651 QERVLXAAKYRHKP-CABCVRRESA-N 251.414 3.528 30 20 CHED CC[C@@H](NCc1ccc(F)c(C#N)c1)c1cccs1 184093866 MRECHRZRWPEZPG-CQSZACIVSA-N 274.364 4.000 30 20 CHED N#Cc1ccnc(NCCc2ccccc2Cl)c1Cl 567224378 VAEBRQQWWNHYQU-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CCn1nc(C)c(CNc2ccc(C#N)c(Cl)c2)c1C 307964519 JUCIDNUNIPBQMT-UHFFFAOYSA-N 288.782 3.657 30 20 CHED CC[C@H](CC#N)NCc1csc(Cl)c1Cl 309175711 MQSDUOWBOAQWCL-MRVPVSSYSA-N 263.193 3.837 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 331981512 MOWPHCKCOHIWQG-IIAWOOMASA-N 264.413 3.647 30 20 CHED C=CC[C@H](CC)N[C@H]1C[C@H](OCC)C12CCCC2 393802419 MPLFIDMQDMOZIR-KKUMJFAQSA-N 251.414 3.669 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H](O)c1cccc(F)c1 791566678 CONWDZUYVSAXTB-IBGZPJMESA-N 299.389 3.937 30 20 CHED N#Cc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1 10404834 IZIVVPDYWPENOP-UHFFFAOYSA-N 284.746 3.783 30 20 CHED C#Cc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2C)c1 106939809 VHIRMNINKDTRPA-AWEZNQCLSA-N 290.366 3.819 30 20 CHED Cn1c(SCc2ccc(F)cc2C#N)nc2ccccc21 112529674 OEJDLYGTZNARRY-UHFFFAOYSA-N 297.358 3.876 30 20 CHED CSc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1Cl 176496570 GQSPSBOOHBHURI-UHFFFAOYSA-N 291.763 3.514 30 20 CHED C=C(C)CSCc1nc(CCc2ccccc2)no1 174604684 FWLOZVWKYLBTFT-UHFFFAOYSA-N 274.389 3.664 30 20 CHED N#CCCCC[S@](=O)Cc1c(Cl)cccc1Cl 108123861 HDZBWLSOSFMYMU-QGZVFWFLSA-N 290.215 3.936 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 55428193 XQFJEDYPKUKZIG-MLGOLLRUSA-N 292.338 3.945 30 20 CHED C=CC[C@H](C)NC(=O)Cc1coc2cc3c(cc12)CCC3 172321993 DFPSBIWIIXBZIG-LBPRGKRZSA-N 283.371 3.545 30 20 CHED CC[C@@H](NCCCSCC#N)c1ccc(F)cc1F 179638496 YSSKFHNQBFRGBQ-CQSZACIVSA-N 284.375 3.652 30 20 CHED C=CCCCC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 175230570 NXXOHLGQRCQGSE-MRXNPFEDSA-N 289.375 3.539 30 20 CHED Cc1cc(N(C)C)ccc1Nc1snc(Cl)c1C#N 301936785 VAVKBCOJZQRSJD-UHFFFAOYSA-N 292.795 3.786 30 20 CHED CC(C)(C)OCc1cccc(CNCc2ccc(C#N)o2)c1 174335375 GRMXQXKDHBHBLM-UHFFFAOYSA-N 298.386 3.756 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1sc(C)nc1C 112183976 XUPQKNGEUCEEQA-UHFFFAOYSA-N 292.448 3.968 30 20 CHED C[C@H]1CCC[C@@H](N(C)c2ccc(Cl)c(C#N)n2)C1 301165668 HNCCEAOVJJONTJ-WDEREUQCSA-N 263.772 3.622 30 20 CHED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 178376444 USAIPCAYAJTQPL-SNVBAGLBSA-N 288.416 3.873 30 20 CHED COc1ccc(F)cc1[C@@H](C)N[C@@H](C#N)C1CCCCC1 115606078 HRYIJSBVQVTXPG-WBMJQRKESA-N 290.382 3.957 30 20 CHED N#Cc1cccc(Cl)c1NCCc1ccccc1 303516727 ULSCWUMDUUPURO-UHFFFAOYSA-N 256.736 3.866 30 20 CHED Cc1ccccc1C1CCN(c2ncccc2C#N)CC1 301192610 MYKYFXJTUQLMCP-UHFFFAOYSA-N 277.371 3.646 30 20 CHED C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)c1cccs1 119564049 PCDMYMQOZFHWHC-SECBINFHSA-N 274.320 3.501 30 20 CHED C=C(C)COc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 66463245 PGGIBRZKIRMAPV-HNNXBMFYSA-N 289.375 3.539 30 20 CHED N#Cc1cccc(N(Cc2ccc(F)cc2)CC2CC2)n1 301820519 GKLRZBBRMCSGGX-UHFFFAOYSA-N 281.334 3.509 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])cc1 176378827 RYBMTHZFINKDHT-RMKNXTFCSA-N 283.283 3.505 30 20 CHED Cc1ccc(C)c(N(C)Cc2ccc(F)cc2C#N)c1 303143268 DEOZJHZBGOTRLC-UHFFFAOYSA-N 268.335 3.951 30 20 CHED C=CCCC(=O)Nc1cccc(SC(F)F)c1 66554293 ZSOYNJYNIBLPGJ-UHFFFAOYSA-N 257.305 3.906 30 20 CHED COc1ccc(CN(C)c2ccc(C#N)cc2)cc1C 301174785 FWBPIEFOUSBZJR-UHFFFAOYSA-N 266.344 3.512 30 20 CHED N#Cc1c(NC(=O)C[C@@H]2C=CCCC2)sc2c1CCC2 186061551 YRXHSELDQBZIOG-LLVKDONJSA-N 286.400 3.793 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)CCCC(C)C 187791444 UXWRYTBWJQYORK-GDBMZVCRSA-N 269.429 3.546 30 20 CHED N#CC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 32116304 UJEWSRNQBNYFJK-UHFFFAOYSA-N 269.175 3.729 30 20 CHED C=CCC[C@H](C(=O)N(C)CCSC)c1ccccc1 188510605 SECZPEPLHCFTEO-HNNXBMFYSA-N 277.433 3.558 30 20 CHED Cc1ccc(C)c(C(=O)Nc2ccc(F)cc2OCC#N)c1 120041228 XPUIAMMPXCSTCY-UHFFFAOYSA-N 298.317 3.597 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)cc2)C1 504362072 JPSYHVDLIYIBJG-TZMCWYRMSA-N 256.349 3.713 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)C(C)(C)C(=O)N2 414163728 JEAQLDDSCHXFJP-LBPRGKRZSA-N 299.418 3.507 30 20 CHED N#Cc1nc(N2CC[C@@H](Cc3ccccc3)C2)ccc1Cl 78334872 NCCKGBINEMWXPV-AWEZNQCLSA-N 297.789 3.676 30 20 CHED COc1cc(C)c([C@@H](C)NCC(C)(C)CC#N)cc1OC 414167159 OTKZGCLXTYTCSN-CYBMUJFWSA-N 290.407 3.603 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C1CCOCC1 126455773 GMUOFUZYFCUVFS-AWEZNQCLSA-N 269.429 3.526 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1sc2ccc(F)cc2c1C 127028679 MNPQSJFKNFCEEE-HNNXBMFYSA-N 290.363 3.771 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@H](C)C1CCCCC1 410824240 CEZQDKUCLRBJRA-ZFWWWQNUSA-N 264.413 3.744 30 20 CHED CC[C@@H](CC#N)NC(=O)c1c(-c2ccccc2)oc(C)c1C 189128179 MJOZPFNXPCVFNR-HNNXBMFYSA-N 296.370 3.986 30 20 CHED CC(C)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 30691244 QRQAPAQDOZHCHF-UHFFFAOYSA-N 292.382 3.654 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCCC[C@H]1OC(F)F 503937382 MXIYLVOHYPLWSR-JHJVBQTASA-N 261.356 3.871 30 20 CHED COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1Cl 185863808 AYEJLLWRJVHFQI-YPMHNXCESA-N 278.783 3.521 30 20 CHED N#Cc1ccccc1NC(=O)c1cccc(-n2cccc2)c1 36141033 BWAWUXAPIVAXCF-UHFFFAOYSA-N 287.322 3.601 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Cc1cncc2ccccc12 500074451 ITOZIBZEOSINRF-HNNXBMFYSA-N 294.398 3.614 30 20 CHED N#CC1(CCN2CCO[C@H](c3ccccc3)C2)CCCCC1 411167583 MGGTWMNREWOPTL-SFHVURJKSA-N 298.430 3.924 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@@H]1C 184685698 CIJOGYPYRYNRKE-FZMZJTMJSA-N 256.349 3.632 30 20 CHED Cc1ccc(CNc2ccc(F)cc2OCC#N)s1 181540520 KQRZQUSUBAMOTA-UHFFFAOYSA-N 276.336 3.710 30 20 CHED C=CC1CCN(C(=O)NC[C@H](CC)CC(F)(F)F)CC1 413897243 CHXUJBXHJJQJMU-GFCCVEGCSA-N 292.345 3.573 30 20 CHED CCc1ccccc1CC(=O)N(CCC#N)CC(C)(C)C 188284701 ZISLOAHFYGGEOZ-UHFFFAOYSA-N 286.419 3.580 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(CCC(F)(F)F)cc1 180438486 GKWLCJPDUMMLIZ-UHFFFAOYSA-N 285.309 3.830 30 20 CHED CCCCCCCCC(=O)N1CCC2(CCNCC2)CC1 313674564 BGFXVTWDIXCXEE-UHFFFAOYSA-N 294.483 3.729 30 20 CHED CC(C)COc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 185792979 NTOUECNWMJBEAJ-RDJZCZTQSA-N 286.419 3.893 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@@H](CC)CC(F)(F)F 413740801 NRAQKFSYKSRHEJ-RYUDHWBXSA-N 292.345 3.715 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C)cc1SC 413890547 DASIHMMQLMHZFD-GFCCVEGCSA-N 279.405 3.637 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCCN(Cc2ccccc2)C1 130550335 MUVHOMYAXXTBRH-FUHWJXTLSA-N 272.436 3.595 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(CC#N)cc1 412810769 IKCPGKMVECZHGC-HOTGVXAUSA-N 284.403 3.697 30 20 CHED N#Cc1cc(C(=O)N[C@H](CC2CCC2)c2ccccc2)c[nH]1 180030066 BFEHGIZXGUXYEM-QGZVFWFLSA-N 293.370 3.548 30 20 CHED Cc1nc2cccc(/C(O)=N/[C@@H]3CC34CCCCC4)c2[nH]1 328686339 GGFABTSUPKXXAQ-CQSZACIVSA-N 283.375 3.899 30 20 CHED Cc1nc(C)c(CN[C@@H](CCC#N)c2ccccc2)s1 130466312 JIMGTPNNNWSDHK-HNNXBMFYSA-N 285.416 3.895 30 20 CHED CC(C)CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 49866439 CQQCWLHJADUFGR-OAHLLOKOSA-N 272.392 3.711 30 20 CHED N#CC1(CN2CCCc3c(F)c(F)cc(F)c32)CCC1 412099696 QKECDEDXNMLOPB-UHFFFAOYSA-N 280.293 3.550 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C1CCCCC1 45935099 KEDRCLPTICDFGK-UHFFFAOYSA-N 257.377 3.782 30 20 CHED CC[C@@H]1C[C@H](C(O)=Nc2cnc3ccccc3c2)CC(O)=N1 329723553 CUCHPHQUMINGNY-QWHCGFSZSA-N 297.358 3.968 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)NC[C@H](C)C#N)ccc21 84908774 SBMCQWWMOMLAOA-CYBMUJFWSA-N 298.390 3.578 30 20 CHED C=C(Cl)CSc1nnc(C2CC2)n1Cc1ccco1 47822422 QQPQRNATOKPUGD-UHFFFAOYSA-N 295.795 3.641 30 20 CHED Cc1cc(/C(O)=N/[C@H]2CCC(C)(C)c3ccccc32)cnn1 329916931 ZBYNCFRNUBQCAD-INIZCTEOSA-N 295.386 3.902 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@H]1Cc1ccccc1 506824982 OJEHEXHNDPAMDZ-HNNXBMFYSA-N 280.346 3.909 30 20 CHED C=C[C@@H](CC(=O)[C@H](C#N)c1ccccn1)c1ccccc1 136535364 QRDRZXAJZMMYKN-GOEBONIOSA-N 276.339 3.618 30 20 CHED CC[C@@H](NCc1ccc(Br)cc1C#N)C1CC1 324019944 PWONQEVDIWUGFC-CQSZACIVSA-N 293.208 3.599 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1ccc(C)cc1C 45510480 PPMNEMAIARVBTG-UHFFFAOYSA-N 278.355 3.842 30 20 CHED C=CCn1c(SCC(=C)Cl)nnc1-c1ccccc1 47819515 DFVZTHZDZBFHSN-UHFFFAOYSA-N 291.807 3.976 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)c1 41545433 GVJPRLOUBQGTKX-AWEZNQCLSA-N 290.322 3.935 30 20 CHED Cc1cccnc1[C@@H](NCc1cccc(C#N)c1F)C(C)C 512457913 WLIDDOHYTMFBET-KRWDZBQOSA-N 297.377 3.888 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](C)OCC1CC1)c1ccccc1 133916126 FTDQGCCGYDFUFX-RHSMWYFYSA-N 287.403 3.625 30 20 CHED CC(C)(C#N)C(=O)N1CC2(CCCC2)c2c(F)cccc21 194721039 KOBZGYKGPUYENY-UHFFFAOYSA-N 286.350 3.534 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)CCc2ccc(C#N)cc2)C1 193288758 YHGSTRCYQHGSMD-YOEHRIQHSA-N 284.403 3.528 30 20 CHED N#Cc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)c(F)c1 177198082 PLYBWUOTFOEZQH-JKSUJKDBSA-N 290.407 3.557 30 20 CHED COc1ccc(/C=C\C(=O)c2sccc2OC)cc1 225460639 WNFNMCWTBURAAI-YVMONPNESA-N 274.341 3.661 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 424863891 KINOZEWMSVIAQH-TZMCWYRMSA-N 273.376 3.617 30 20 CHED Cc1cc(=N[C@H](C)c2cccc(OC(C)C)c2)c(C#N)c[nH]1 425212268 ZQTPNMKJOYLWSL-CQSZACIVSA-N 295.386 3.644 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](CC)CCC 195727614 WWEZWADGBGDQHC-INIZCTEOSA-N 274.408 3.963 30 20 CHED C=CCSCCNC(=O)N[C@@H](c1ccccc1)C(C)C 514017983 NPLQCGUEZQWOKP-OAHLLOKOSA-N 292.448 3.602 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCC1(C)C 425126895 IILWWCZZBXFPOX-CZUORRHYSA-N 284.403 3.904 30 20 CHED C#CCN(C)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 191134677 LXCPJSBPHMDWIT-UHFFFAOYSA-N 298.411 3.639 30 20 CHED CC[C@H](/N=C(/O)c1cc(NC)ccc1Cl)[C@@H]1CCCO1 331235114 DPWZPSSMQJDBCD-KBPBESRZSA-N 296.798 3.644 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(Br)cc1 190886151 QCXPMRRWIWQFFK-CQSZACIVSA-N 296.208 3.668 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1CCCC[C@H]1C 330024214 JPXSNKYICSFWBC-ZWNOBZJWSA-N 276.380 3.819 30 20 CHED CCCOc1ccc(CNc2nc(C)cc(C)c2C#N)cc1 97476433 YXZPYDMRRFCSSA-UHFFFAOYSA-N 295.386 3.971 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 149050846 HUTQWGRSAOKVSL-JXMROGBWSA-N 268.312 3.556 30 20 CHED CC1(C)CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 333599306 UVGGYCBGEPBSJN-KRWDZBQOSA-N 274.408 3.545 30 20 CHED Cc1cc(N2CCC[C@H]2c2ccc(C)s2)c(C#N)cn1 425226054 MESYTVOLXJKNDO-AWEZNQCLSA-N 283.400 3.973 30 20 CHED CCCC(=C/C(O)=N/S(=O)(=O)C1CCCC1)CCC 92715916 ANUUHHGIFPTREG-UHFFFAOYSA-N 287.425 3.742 30 20 CHED CCCc1occc1/C(O)=N/C[C@](C)(O)C1CCCCC1 330389425 NWANBTPOCNHADL-KRWDZBQOSA-N 293.407 3.868 30 20 CHED Cc1ccc2nc(C(=O)Nc3cccc(C#N)c3)ccc2c1 338499617 JEDKCUKIDQEYDW-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#C[C@H]1CC[C@@H](NCCCc2c[nH]c3ccc(F)cc23)C1 337385909 CXWLSMYWTWGUNS-SWLSCSKDSA-N 285.366 3.521 30 20 CHED CC[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)C(C)(C)C 517282157 ZYJHGTACPZUCPC-HNNXBMFYSA-N 287.407 3.524 30 20 CHED CC1(C)CCC(CC(=O)NCc2ccc(C#N)cc2)CC1 337378467 WZDXVMDRUJCOEJ-UHFFFAOYSA-N 284.403 3.781 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)o1 93901855 UYGGZZNXYJOBPN-BQYQJAHWSA-N 272.348 3.515 30 20 CHED CCCCn1ncc(Nc2snc(Cl)c2C#N)c1C 92687081 GGNZYYFLMYVMJE-UHFFFAOYSA-N 295.799 3.717 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1c(C)cccc1C 438450825 GMXGANMKGJQYQT-QAPCUYQASA-N 289.419 3.709 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1ccc(F)cc1F 330769608 ZOJVANRBAVTJMB-CQSZACIVSA-N 266.291 3.598 30 20 CHED N#Cc1cccc(F)c1CC(=O)Nc1ccccc1Cl 335938687 MKPNWQTZQOPHPM-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2Cl)CC1 332318277 OIZFMCHTEHCMNT-YPMHNXCESA-N 290.794 3.910 30 20 CHED N#C[C@H]1CC[C@H](N2Cc3ccccc3C3(CCC3)C2)C1 336131099 VLJSNOCTFOTOCR-HOCLYGCPSA-N 266.388 3.616 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC=CCC1 247991886 KVXBUABJKLNBBJ-QGZVFWFLSA-N 282.387 3.652 30 20 CHED C=CCN(Cc1cnccc1OC)CC1CCCCC1 347087469 XYNQQXKULNWBEN-UHFFFAOYSA-N 274.408 3.659 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1ccc(F)c(C)c1 435510096 FZXSZWPQUOLQSI-CYBMUJFWSA-N 278.371 3.803 30 20 CHED CCO[C@@H]1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1(C)C 341712510 QFBATMIXPOTLKD-OKZBNKHCSA-N 298.430 3.729 30 20 CHED Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C)c(C#N)c1C 340722821 YSUPDMWBRFSILQ-JOYOIKCWSA-N 274.389 3.777 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCC(C)(C)C1 432307413 MXPVZXKIDPEPIG-AWEZNQCLSA-N 285.391 3.909 30 20 CHED N#Cc1ccccc1SCCCC1(C#N)CCOCC1 347782391 WCCIQTLXZWCTRN-UHFFFAOYSA-N 286.400 3.751 30 20 CHED Cc1ccnc(NCc2csc(-c3ccco3)n2)c1C#N 343513008 PVGARURJLREWBF-UHFFFAOYSA-N 296.355 3.590 30 20 CHED Cc1ccccc1[C@H](NC[C@H](C)CCC#N)C1CC1 602546997 WBKOLWUKRSQTAO-CXAGYDPISA-N 256.393 3.976 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(C)c1F 439386379 XACVYQRBUPCZRP-LLVKDONJSA-N 250.317 3.610 30 20 CHED CC[C@@H](NC[C@H](C)CCC#N)c1ccc(OC)cc1 602504246 OEJKCHYABJRBRL-CZUORRHYSA-N 260.381 3.676 30 20 CHED C[C@H](CCC#N)CNCc1cc2c(s1)CCCC2 602526805 GJPSZMVAUMZOCO-GFCCVEGCSA-N 262.422 3.656 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(CC#N)cc1 342759857 YFOOTZPQPNIEJQ-AWEZNQCLSA-N 276.449 3.716 30 20 CHED C=CCCCNC(=O)CCCc1ccc(SC)cc1 520585740 ZPNIPKALQIDKRD-UHFFFAOYSA-N 277.433 3.814 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1cccc(C)c1C 606902689 QBPRKCYKFRJTRY-UHFFFAOYSA-N 288.435 3.920 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2cccnc2Cl)cc1 255355478 RKGAMTPTTGMNEH-YVMONPNESA-N 298.729 3.533 30 20 CHED CCCCN(C)C[C@@H](C)N[C@@H](CC)c1ccc(C#N)cc1 343920161 CYPANBDPENLUQB-QAPCUYQASA-N 287.451 3.719 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1sc(CC)nc1C 341637503 FJEHPALSOVUBQQ-ZDUSSCGKSA-N 252.383 3.555 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C#N)c1 609034487 WYJLXUIAMLYSQO-RDJZCZTQSA-N 284.403 3.893 30 20 CHED COc1ccccc1/C(C)=C\C(=O)O[C@@H](C)C(C)(C)C#N 255588300 FBHTYVVZPZPSNL-UKVQZPPCSA-N 287.359 3.580 30 20 CHED C[C@H](CCC#N)CN[C@H]1C[C@H](c2cccc(F)c2)C1 602647050 VZKHKXWEQYXJGZ-XNRPHZJLSA-N 260.356 3.601 30 20 CHED C=C(CNCc1sccc1OC)c1ccccc1 343759713 DHNRISCDACEDFT-UHFFFAOYSA-N 259.374 3.560 30 20 CHED CCCc1ccc(N=Cc2ccc(O)c(O)c2O)cc1 255738127 FAHNCDLXDPPMIJ-UHFFFAOYSA-N 271.316 3.507 30 20 CHED C=CC[C@@H](C)NC(=O)N(CCC)Cc1ccc(F)cc1 604900703 CDZVYSIGDBZAJL-CYBMUJFWSA-N 278.371 3.712 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc(F)c(Cl)c1 348169006 ORAAUSAIOHNZBQ-UHFFFAOYSA-N 297.761 3.931 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cc(C#N)ccn2)C1 342422018 YMZLMVZOQJVWBY-GDBMZVCRSA-N 277.371 3.644 30 20 CHED CCC(C#N)(CC)c1nc(Cc2cc(C)ccc2OC)no1 528071868 LHFRRDHWBVCHMY-UHFFFAOYSA-N 299.374 3.559 30 20 CHED COc1ccc(/C=C\C(=O)c2ccsc2)cc1F 255727170 VWZWPVZLPFPHJG-RQOWECAXSA-N 262.305 3.792 30 20 CHED N#CC1(CN2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 343143042 PFADDXTYIJJXMF-IBGZPJMESA-N 288.394 3.938 30 20 CHED CC(C)c1nc2ccc(NC(=O)[C@@]3(C#N)C[C@H]3C)cc2s1 448814430 VSHQHQYALHXIDO-QLJPJBMISA-N 299.399 3.908 30 20 CHED CC(C)(C)c1cnc(/C=C\c2ccc(C#N)cn2)s1 448125686 NEPZVCGBMQYARL-SREVYHEPSA-N 269.373 3.878 30 20 CHED CCOc1ccc(C=NOCc2cccc(C#N)c2)cc1 255554150 HEFMXJXAVSTCCF-UHFFFAOYSA-N 280.327 3.508 30 20 CHED C[C@H](CCC#N)CNc1ccc(CN(C)C)c(Cl)c1 602637888 ILLKIJSWJGVOQU-GFCCVEGCSA-N 279.815 3.753 30 20 CHED CC[C@@H](CC#N)NCc1cc2c(C)c(C)ccc2[nH]1 351980395 DOWABJGGQNYMFC-ZDUSSCGKSA-N 255.365 3.567 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(SC(F)F)cc1 267475931 WOGGEZQORQWTRC-UHFFFAOYSA-N 299.346 3.769 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1F 353657901 VEHRYDQGSXEYMO-ZDUSSCGKSA-N 280.346 3.644 30 20 CHED Cc1ccc(C)n1C1CCN(c2ccc(C#N)cc2)CC1 354223348 YRCKQNZQDUSMQQ-UHFFFAOYSA-N 279.387 3.818 30 20 CHED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1C(=O)N(C)C(C)C 442880972 YNBKBIHUJOAOQT-GJZGRUSLSA-N 299.418 3.580 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCO[C@H](CC(C)C)C1 538581967 WTJUJKGVHBJEOD-YHUYYLMFSA-N 253.430 3.770 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(CCCC#N)CC2 358059678 IWDRGWKEQFIKLN-UHFFFAOYSA-N 256.393 3.646 30 20 CHED COc1ccccc1[C@@H]1CCCCN1c1ccc(C#N)cn1 611204148 SZVYAGFYTHVZCB-INIZCTEOSA-N 293.370 3.693 30 20 CHED Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OCC2CC2)c1 442781108 LYORQDVKQBCPCA-DOTOQJQBSA-N 284.403 3.566 30 20 CHED C=CCC[C@H](NCc1cnc2[nH]ccnc1-2)c1ccccc1 356109107 QCZAABFQNVPXEE-INIZCTEOSA-N 292.386 3.707 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2sccc2CC)C1 617785403 JXXAKMIKLSPBRY-LBPRGKRZSA-N 263.406 3.739 30 20 CHED C=C[C@H](Nc1cccc(CSC(C)C)c1C)C(=O)OC 619734932 YBPFUVRIGONLFF-AWEZNQCLSA-N 293.432 3.776 30 20 CHED CC[C@H](CC#N)NCc1ccc(OCCC(C)C)cc1 54183228 NMYZQWYKJUJFCU-MRXNPFEDSA-N 274.408 3.893 30 20 CHED CCC[C@H](C)N(C)C(=O)C[C@H](CC#N)c1ccccc1 354569588 LCMMCGQQNALUJG-HOCLYGCPSA-N 272.392 3.721 30 20 CHED C=CCN(Cc1ccc([S@@](C)=O)cc1)c1ccccc1 355039429 MYRWAALOAHHYMB-HXUWFJFHSA-N 285.412 3.617 30 20 CHED N#Cc1ccc(SCc2coc(-c3cccs3)n2)nc1 352936265 NGJJSELAUULKRY-UHFFFAOYSA-N 299.380 3.962 30 20 CHED CC1(C)Cc2cccc(N[C@H]3CCC[C@H](C#N)C3)c2O1 618577401 GAWUDULXTCYDKV-JSGCOSHPSA-N 270.376 3.894 30 20 CHED FC(F)(F)C1=CCN(CC#Cc2cccc(Cl)c2)CC1 535283305 JFOTUNVNJAJRMB-UHFFFAOYSA-N 299.723 3.886 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C\c1cc2ccccc2o1 357192421 RTUGXSAUJIWXKA-VURMDHGXSA-N 290.278 3.568 30 20 CHED C=CCC[C@H](CC)N[C@H]1CN(C)Cc2ccccc21 537947093 HUBANODCROIMPD-RDJZCZTQSA-N 258.409 3.508 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCO[C@@H](c2ccncc2)C1 449544082 VHMVPCNVGIBMEV-YESZJQIVSA-N 274.408 3.636 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(CC(F)(F)F)cc1 354091172 KFXSNQWGGPPBDI-UHFFFAOYSA-N 284.281 3.670 30 20 CHED COc1ccc2c(c1)CCC[C@H]2NCC(C)(C)CCC#N 266178709 FLBJGBSUGOGLLG-QGZVFWFLSA-N 286.419 3.992 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 536894335 UFYOVUIEMUZDKL-HZPDHXFCSA-N 294.329 3.748 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1cccc(C#N)c1 610357486 NSHWVJJKXPRLNS-QRTARXTBSA-N 297.402 3.593 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 458371439 AQVVYZMIMONZND-HZPDHXFCSA-N 299.418 3.514 30 20 CHED C=CC(C)(C)CNC(=O)c1ncoc1-c1ccc(C)cc1 452776562 RGMUSKKZIWFOJM-UHFFFAOYSA-N 284.359 3.592 30 20 CHED C=CCC[C@H](NCc1ccccc1Cn1ccnc1)C1CC1 269675256 HARODCQIRNUHMD-IBGZPJMESA-N 295.430 3.766 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2sccc2[C@H]1CC 458985692 IRFMEUDWGFAZPJ-CYBMUJFWSA-N 292.448 3.979 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)c1ccccc1C 452772336 DWWZZYRJNDOFFN-CQSZACIVSA-N 259.393 3.817 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618734283 BVLVGPXZRTTXHW-SCLBCKFNSA-N 296.414 3.878 30 20 CHED CC1(C)CCC[C@@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 618732731 CUHFQQKCKSSRIX-WBVHZDCISA-N 296.414 3.878 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CCSCC1 360657590 OGEQQVJIVWUYHW-KRWDZBQOSA-N 286.444 3.811 30 20 CHED Cn1c(-c2ccccc2)cnc1S[C@@H]1CC[C@@H](C#N)C1 278557633 MIGJDXJJFNKPQR-TZMCWYRMSA-N 283.400 3.871 30 20 CHED CC(C)COc1ccccc1-c1noc([C@@]2(C#N)C[C@H]2C)n1 453082617 MDPXUGUGDMDIOB-SJKOYZFVSA-N 297.358 3.573 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(C)cc2)C1 617781750 TWHJWPOKKOWLRO-FUHWJXTLSA-N 285.431 3.988 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](SC)C(C)(C)C 542203703 BKARDVBZLPGIFR-ZDUSSCGKSA-N 269.454 3.649 30 20 CHED C=C(CC)CNC(=O)Nc1ccc2occ(C)c2c1 455180449 KDZZNULDAWJMRV-UHFFFAOYSA-N 258.321 3.829 30 20 CHED C=CCCCCNC(=O)CCOc1ccc(F)c(Cl)c1 545311015 MVTQVFBTEFFODV-UHFFFAOYSA-N 299.773 3.721 30 20 CHED C=CCCNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 617615972 DWDHAXHNGBIBTR-NSHDSACASA-N 285.309 3.576 30 20 CHED C=C(C)COCCN[C@H]1CCC[C@@H]1c1ccccc1 540163071 KPXLTXHYXBNXKT-SJORKVTESA-N 259.393 3.505 30 20 CHED CCCC[C@@H](CCC)NC(=O)N1CCC[C@](C)(C#N)C1 612135086 RBASRACQFKFLPL-GDBMZVCRSA-N 279.428 3.681 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N(Cc1ccco1)c1ccccc1C#N 361512121 FPSDVYLGFWBQHB-HIFRSBDPSA-N 294.354 3.731 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 454963908 RIVNBFMLCXDNSR-KBPBESRZSA-N 291.439 3.536 30 20 CHED C[C@@H](CCC#N)N(C)CCc1ccc(Br)cc1 276322618 PEVZMRARDIVYKS-LBPRGKRZSA-N 295.224 3.616 30 20 CHED C=CCC1(C(=O)N(C)CC2=CCSC2)CCCCC1 620854698 BDRQQBVGPQCUNF-UHFFFAOYSA-N 279.449 3.645 30 20 CHED Cc1ccc(C(=O)NCc2cccc(C#N)c2)c(Cl)c1C 541187562 CLSFMQMJXCKTIF-UHFFFAOYSA-N 298.773 3.759 30 20 CHED C=CCC1(NC(=O)c2c[nH]c3ncccc23)CCCCC1 456384245 QCNSTOQMBRBQSP-UHFFFAOYSA-N 283.375 3.572 30 20 CHED CCCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 279774004 BHUUHTUQDUFANN-UHFFFAOYSA-N 284.403 3.892 30 20 CHED C=CCC[C@@H](NCCC[C@@H]1CCOC1)c1ccco1 453343327 DKBYQUWKRFCJSL-HUUCEWRRSA-N 263.381 3.693 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 455609959 DNMZIFZTQMLVAQ-SJLPKXTDSA-N 299.418 3.524 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(C)cc2OC)no1 278790397 UYZODLLIFVELQM-GFCCVEGCSA-N 288.347 3.707 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C1CCCC1 456659219 LVALNFIMGVOQPL-OAHLLOKOSA-N 290.794 3.910 30 20 CHED N#Cc1c(Cl)cccc1NCC[C@]1(O)C[C@H]2CC[C@H]1C2 450539607 LUWZPJVIAUXQOT-MKBNYLNASA-N 290.794 3.565 30 20 CHED C=CCC[C@@H](CC)Nc1cccc2c1CCN2C(C)=O 545985468 AQSWEVBVTKRZGA-CQSZACIVSA-N 272.392 3.752 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](C)c1ccc(C)cc1C 455526849 UFCNRPCISYRTHT-OAHLLOKOSA-N 274.408 3.972 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1ccc(CC#N)cc1 546867249 HAXVUMNJZUSXAT-HNNXBMFYSA-N 292.382 3.861 30 20 CHED Cc1ccnc(N2CCCC[C@@H]2c2ccccc2)c1C#N 543083005 NRRRAVHOASJPIK-QGZVFWFLSA-N 277.371 3.993 30 20 CHED CCCC1(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CCC1 469104031 URDFCYGCFNUPMT-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED C#Cc1cccc(NC(=O)N2Cc3cccc(Cl)c3C2)c1 376796316 MCMCANQXWJETPU-UHFFFAOYSA-N 296.757 3.869 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC[C@H](C)CC(C)(C)C 468082175 WPFMSZPPYFSKFW-WMLDXEAASA-N 283.456 3.794 30 20 CHED C=CCN(C(=O)c1csc(Cl)c1)C(C)(C)C 622945163 VKVJDXCILGSLAG-UHFFFAOYSA-N 257.786 3.828 30 20 CHED C[C@H](Nc1cccc2c1OCCC2=O)c1cccc(C#N)c1 372921581 DIUWCFITDIZGKW-LBPRGKRZSA-N 292.338 3.697 30 20 CHED N#CCCCCN1CCC[C@@H]1/C=C/c1ccccc1 374764118 HMVKLCFUTHSJPQ-FMQWLBJXSA-N 254.377 3.858 30 20 CHED C=C(CC)CSCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 540193220 GHJXZHKPRVBHCF-HZSPNIEDSA-N 269.454 3.627 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2ncsc2c1 466366096 CLSUMROWFCOQJG-SNVBAGLBSA-N 275.377 3.773 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC1CC(C)(c2ccccc2)C1 466317615 LZOYAVLRSQYPPO-HFCFLWKCSA-N 298.430 3.857 30 20 CHED C#CC[C@H](N[C@H](C)c1cc(OC)ncc1F)c1ccccc1 287633368 KMXHFIFTQRFRQQ-DYVFJYSZSA-N 298.361 3.645 30 20 CHED C=CCC[C@@H](NCCN1CCC[C@H](C)C1)c1ccco1 552254627 NYOLELHYHALUAQ-JKSUJKDBSA-N 276.424 3.608 30 20 CHED CC[C@](C)(C#N)C(=O)NCC(C)(C)c1ccccc1Cl 285347235 PHNJYQZBKSZRFG-MRXNPFEDSA-N 292.810 3.674 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3cc(C#N)ccn3)C2)cc1 557675539 PLILOYDUYCUBAU-PBHICJAKSA-N 277.371 3.644 30 20 CHED N#Cc1cccc(Sc2c(C#N)nnc3ccccc23)c1 467784420 GCWIXCDAIDEUMT-UHFFFAOYSA-N 288.335 3.524 30 20 CHED C=C(CC)CN1CCCn2c(cc3ccccc32)C1 554306520 ZNRAQVANCACDEF-UHFFFAOYSA-N 254.377 3.813 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(CC#N)cc2)C1 280561898 OGTQHHBYANCJPA-INIZCTEOSA-N 284.403 3.651 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 287627444 TZNRKDGIHNPGJV-ZDUSSCGKSA-N 276.767 3.520 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCCc2ncccc21 631581252 VTILFEXAXPGPIB-GOSISDBHSA-N 294.398 3.814 30 20 CHED CCC(C)(C)CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 285530397 BAUQZUDWNLVSSI-UHFFFAOYSA-N 290.382 3.527 30 20 CHED C=CCCN(C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 467289477 NKEIYHDULGKCSE-GOSISDBHSA-N 294.398 3.874 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC(CCc2ccccc2)CC1 464759615 ZNOZMGDCOPWACU-OAHLLOKOSA-N 286.419 3.615 30 20 CHED CN(CCCC(C)(C)C#N)Cc1ccccc1N(C)C 289100810 VFFMMOOLCFYBAU-UHFFFAOYSA-N 273.424 3.514 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2ccc(Cl)cc2n1 286024201 RXRXQPPAAPUOKS-OAHLLOKOSA-N 287.750 3.767 30 20 CHED C=C[C@@H](Cc1nc(Cc2cccnc2)no1)c1ccccc1 556309013 NMNNIUUUHYLJCM-HNNXBMFYSA-N 291.354 3.568 30 20 CHED C=CCCOCCCCC(=O)Nc1csc(C)c1 634423826 BWPRSYBSTCPMAK-UHFFFAOYSA-N 267.394 3.758 30 20 CHED C=C[C@](C)(CCOC)c1nc(Cc2ccc(C)s2)no1 289226485 WAWIGZVFHMGTGC-OAHLLOKOSA-N 292.404 3.511 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1cnc(C)s1 633153794 NGIRCTLANFCYRX-GHMZBOCLSA-N 281.425 3.557 30 20 CHED C[C@@H](Cc1ccccc1C(F)(F)F)NCCCC#N 280786001 HEBCRAZUEMCZTB-NSHDSACASA-N 270.298 3.530 30 20 CHED C=CCCCCN[C@H]1CCN([C@@H](C)c2ccccc2)C1 471598642 LJRLXBPXBZQSAF-WMZOPIPTSA-N 272.436 3.768 30 20 CHED C=CCC[C@H](NCc1cc(CC)no1)c1ccco1 552045410 GLJQTDSZKUAUSU-AWEZNQCLSA-N 260.337 3.627 30 20 CHED N#Cc1cc(COC(=O)C2(C(F)F)CCCC2)ccc1F 808647979 PWUFXLOKOQMXJE-UHFFFAOYSA-N 297.276 3.566 30 20 CHED C[C@H]1CC[C@H](C=NNc2cccc(C(F)(F)F)n2)C1 800812834 MSSNQZTUTXHVOU-UWVGGRQHSA-N 271.286 3.934 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 808272996 PYOYVRBPDMZYDR-RYUDHWBXSA-N 272.820 3.595 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](C)c1ccc2ccccc2c1 292525965 UPOVRYWKELJSEG-HNNXBMFYSA-N 292.382 3.872 30 20 CHED CC(C)C[C@H](C)OC(=O)Oc1ccc(C#N)cc1F 296233446 KTIBOMJBYCMIRD-JTQLQIEISA-N 265.284 3.647 30 20 CHED C[C@@H](CC(=O)OCCCSCC#N)c1ccc(F)cc1 805452598 PMVFUTNFAZQWQW-LBPRGKRZSA-N 295.379 3.509 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 567957216 SSCJSTDZMATALZ-UHFFFAOYSA-N 296.292 3.952 30 20 CHED C=CCCCCCCNC(=O)CCc1ccccc1 805219937 AXUHSUIUOFZAQP-UHFFFAOYSA-N 259.393 3.872 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(OCCC)cc1C 473973926 ABJAXJNCWFWSIS-AWEZNQCLSA-N 290.407 3.548 30 20 CHED CN(Cc1cccc(C#N)c1)c1nc(C2CCCC2)ns1 562926633 UTAFXZXDMSXFGA-UHFFFAOYSA-N 298.415 3.704 30 20 CHED C#CCC(C)(C)C(=O)O[C@H]1CCc2cc(Cl)ccc21 803439178 VMCSZDSDJMEJDO-AWEZNQCLSA-N 276.763 3.920 30 20 CHED COc1ccc(C)cc1CNc1nc(Cl)c(C#N)s1 804344958 HIEJNOGNHCSRFF-UHFFFAOYSA-N 293.779 3.597 30 20 CHED C=C[C@H](CC(=O)NC/C=C\c1cccnc1)c1ccccc1 647811897 OORJLCVOKUHJGB-NBEHIINDSA-N 292.382 3.571 30 20 CHED C#Cc1ccc(CN[C@H](C)CCc2ccc(OC)cc2)cc1 809610835 GRWQSVCYFBWKKW-MRXNPFEDSA-N 293.410 3.787 30 20 CHED Cc1ccccc1CCN[C@H]1CCc2ccc(C#N)cc21 568332716 NODGIHHKHBAYEF-IBGZPJMESA-N 276.383 3.686 30 20 CHED C=CCCCCNC(=O)c1ccccc1NCc1ccco1 474929473 VZTCLTGPBUBVDO-UHFFFAOYSA-N 298.386 3.978 30 20 CHED C=CCCC1(C(=O)NCCCc2cccc(F)c2)CC1 475783365 VMRTUKVXBIGJMP-UHFFFAOYSA-N 275.367 3.621 30 20 CHED C=CCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 472137785 FHAZLAJLYXABLP-UHFFFAOYSA-N 297.742 3.726 30 20 CHED N#Cc1cccc(NCc2cc(Cl)cc(Cl)c2O)n1 808089308 KHEIIFAPPAOLQO-UHFFFAOYSA-N 294.141 3.578 30 20 CHED Cc1csc([C@H](C#N)C(=O)Cc2ccc(Cl)s2)n1 802033127 ZAIUSGHHQPEDOL-SECBINFHSA-N 296.804 3.585 30 20 CHED CC(C)(C)[C@H](NCc1ccc(C#N)s1)C(F)(F)F 566415662 IIXLCEMZEWCLMG-JTQLQIEISA-N 276.327 3.686 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1C 566823024 HAQSGXDRTCBKAW-OAHLLOKOSA-N 275.392 3.553 30 20 CHED C[C@@H](CF)NC(=O)Nc1ccccc1C#Cc1ccccc1 645017119 PDLIAHGRCYSTTB-AWEZNQCLSA-N 296.345 3.566 30 20 CHED Cc1cccc(C2(NC(=O)c3ccc(C#N)o3)CCCC2)c1 814114597 MPHDWZFYWCMTOG-UHFFFAOYSA-N 294.354 3.659 30 20 CHED CCc1ccc(C#CC(=O)N2CC[C@H]2c2ccccc2)cc1 814502240 ZDWOGUIUKRMSRK-IBGZPJMESA-N 289.378 3.574 30 20 CHED CC[C@H](C)[C@@H](C)NCc1ccc(Cl)cc1C#N 480901088 RTIXTCXEXNZJMM-WDEREUQCSA-N 250.773 3.736 30 20 CHED CCCN(CCc1cccs1)c1ccc(C#N)c(C)n1 487749722 MHLIJQMIYBTHFX-UHFFFAOYSA-N 285.416 3.782 30 20 CHED CCCn1ccc2cc(NC[C@@H](C#N)CCC#N)ccc21 566125570 OCEVWBLJCPKFLT-CQSZACIVSA-N 280.375 3.907 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1nnc(C)c(C)c1C#N)CCC2 488745062 CSUTYBGABQVXMY-QGZVFWFLSA-N 292.386 3.763 30 20 CHED C#C[C@@H](NC(=O)C1CC(C)(C)C1)c1ccc(Cl)cc1 811948125 YNJGXHFQLSUDGR-CQSZACIVSA-N 275.779 3.567 30 20 CHED CCSc1ccccc1C(C)=NOCCOC(C)C 812238940 IJXKXPZZSQODHI-UHFFFAOYSA-N 281.421 3.964 30 20 CHED CC(C)Oc1ccccc1C=NOC/C=C\Cl 811669897 WCTCHYFFIXCQIR-PPVHLYJCSA-N 253.729 3.577 30 20 CHED C=CC[C@H](CO)CN[C@@H](CCC(C)C)C(C)(C)C 578814727 NLQBLKPNCDHUNT-GJZGRUSLSA-N 255.446 3.612 30 20 CHED C=CCCCOc1c(Cl)cccc1CCC(=O)OC 574493751 WIDHRXYXLCYSBJ-UHFFFAOYSA-N 282.767 3.791 30 20 CHED CC1(C#N)CCC(Nc2cnn(-c3ccccc3F)c2)CC1 578413897 SLQVUEJQFRUHDZ-UHFFFAOYSA-N 298.365 3.896 30 20 CHED CC(C)(C)[C@@H](NC[C@H](C#N)CCC#N)c1ccccc1 572834565 QXYKHWKFYDDUDK-HOCLYGCPSA-N 269.392 3.807 30 20 CHED C=CCC1(NC/C=C\c2ccc(F)cc2F)CCOCC1 657633076 FSXILMFMABERMR-ARJAWSKDSA-N 293.357 3.693 30 20 CHED CCC[C@H](C)[C@H]1CCCN1c1ccc(C#N)c(C)n1 488121648 XTWMEIFNPSJMAG-SWLSCSKDSA-N 257.381 3.667 30 20 CHED N#Cc1csc(-c2nc(-c3ccc4c(c3)CCC4)no2)c1 578054664 FKTLUFFNFQZECN-UHFFFAOYSA-N 293.351 3.825 30 20 CHED CCN(CC)c1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1 815011242 FZBUPZVQXVTAJP-SJLPKXTDSA-N 285.435 3.657 30 20 CHED CCc1ccc(C#CC(=O)N(C)[C@H](C)c2ccccc2)cc1 814385962 ILLJURHYWUPDRN-MRXNPFEDSA-N 291.394 3.820 30 20 CHED CCCC(=NNc1nc2ccccc2n1C)c1cccnc1 814807006 BBGGGXAWIHCOJH-UHFFFAOYSA-N 293.374 3.585 30 20 CHED CCC[C@H](C(=O)NC1(c2cccc(C#N)c2)CC1)C(C)C 486421975 KPXQCGXBHXDUIW-INIZCTEOSA-N 284.403 3.736 30 20 CHED Cc1ccccc1C1(C(=O)NCC2(C#N)CC2)CCCCC1 574895495 TUZNUVTYLNVAJI-UHFFFAOYSA-N 296.414 3.617 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@H]2C(C)(C)C#N)n1 814855788 SSVQOPDHISQLLU-SNVBAGLBSA-N 291.786 3.556 30 20 CHED N#Cc1c(NC(=O)C2CC3(CCC3)C2)sc2c1CCC2 570518123 RPAXDUAAUSPWIV-UHFFFAOYSA-N 286.400 3.627 30 20 CHED C[C@H](NC(=O)Cc1ccc(C#N)cc1)[C@H](C)C1CCCCC1 480377052 MWUONJWVZGDWAI-GJZGRUSLSA-N 298.430 3.822 30 20 CHED CC(C)[C@H](Nc1ccnc(C#N)n1)c1ccc(Cl)cc1 576003399 WIVHLRWGLOPWLA-HNNXBMFYSA-N 286.766 3.811 30 20 CHED C=CCCCCCN1CCC[C@H](OCC2CC2)C1 488078568 JDGVZNIXHXSKQG-INIZCTEOSA-N 251.414 3.624 30 20 CHED Cc1c(C=NNc2ccccc2)n(C)c2ccccc12 814684141 FVDYPWRPXREMTQ-UHFFFAOYSA-N 263.344 3.933 30 20 CHED CC(C)[C@@H](C)N(C)Cc1ccc(Cl)cc1C#N 480505518 NKRIJIAJSKZVGQ-LLVKDONJSA-N 250.773 3.688 30 20 CHED N#CCC[C@H](C#N)CN[C@H](CC(F)(F)F)c1ccccc1 573198979 FAHVQSPWAJJIJX-TZMCWYRMSA-N 295.308 3.713 30 20 CHED CCN(CC)c1ccc(C=Nn2cnc3ccccc32)cc1 725848216 NQZBDRBRRXDXLB-UHFFFAOYSA-N 292.386 3.765 30 20 CHED Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C#CC(C)C)o1 829246582 WFPJFHVHHBQYGO-UKRRQHHQSA-N 273.376 3.547 30 20 CHED Fc1ccc2c(c1)C(=NNC1CCCC1)CCS2 727652478 PDQQMKPOILTUQE-UHFFFAOYSA-N 264.369 3.558 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1O[C@H](C)C#N 828834970 ZZRLOZVHOAZQBJ-MGPQQGTHSA-N 286.375 3.598 30 20 CHED CC[C@@H](C)Oc1cc(C=NNC2CCCC2)ccc1OC 727651791 QCYFOJGKVBPHBY-CYBMUJFWSA-N 290.407 3.739 30 20 CHED CC(C)c1cnn(Cc2ccc(C#N)cc2OC(F)F)c1 573488134 NIKNQLCZANEDIF-UHFFFAOYSA-N 291.301 3.528 30 20 CHED CC#CCCCC(=O)OCc1cc2nc(Cl)ccc2o1 821123099 AWWXAXUNZAEQBG-UHFFFAOYSA-N 291.734 3.718 30 20 CHED CCCN(c1ncccc1C#N)[C@@H](C)c1ccccc1OC 498971324 JJRXORZTFDANBS-AWEZNQCLSA-N 295.386 3.939 30 20 CHED COc1ccc(C(C)=NNCCCc2ccccc2)cc1 729146171 ONZYVEVPGMMXNJ-UHFFFAOYSA-N 282.387 3.642 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 823894418 PNWREMRLFRFFER-ZIAGYGMSSA-N 299.422 3.652 30 20 CHED Cc1cc(NCC2(C#N)CC2)c([N+](=O)[O-])cc1C(F)(F)F 584040919 FMOGWZXWTYHRQU-UHFFFAOYSA-N 299.252 3.638 30 20 CHED C#CCOc1ccc(NC(=O)c2sccc2C2CC2)cc1 731012474 MAXWJUBNFXGXAO-UHFFFAOYSA-N 297.379 3.890 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(C(=O)OC)c1Cl 905810088 BILLNPKVGKCPPZ-SNVBAGLBSA-N 295.766 3.667 30 20 CHED C=CCOCCN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 666126250 DJJJMXZCNDKQLV-HOCLYGCPSA-N 279.811 3.768 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Oc2ccccn2)cc1 733751810 KEQKRCZAEZNJCM-UHFFFAOYSA-N 299.399 3.736 30 20 CHED C#CCC[C@@H](C)OC(=O)CCSc1ccccc1 839033357 DBWLMONQBUFOGF-CYBMUJFWSA-N 262.374 3.514 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1c(C)cccc1C 491095986 OHPSGZWDDUCEOB-UHFFFAOYSA-N 292.382 3.971 30 20 CHED CC(C)C#CC(=O)N1CCCC[C@H]1c1ccc(F)cc1F 830619527 IXHSJLFHKTWTAR-INIZCTEOSA-N 291.341 3.678 30 20 CHED C#CCCCCC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 838131336 YXDURMKKFLJNCV-QGZVFWFLSA-N 275.436 3.997 30 20 CHED C#CCOc1ccc(NC(=O)[C@H](C)SCCCC)cc1 730980458 KUZIHLNLPODDHN-ZDUSSCGKSA-N 291.416 3.559 30 20 CHED C#CCC[C@H](C)OC(=O)c1nc2ccccc2cc1Cl 839039620 GFTGLQWVLRGKQS-NSHDSACASA-N 287.746 3.847 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)CC(=O)c2ccccc2)CC1 901032257 COJPDSJFSBMDDM-AWEZNQCLSA-N 285.387 3.511 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2nnc(C)o2)CCCCC1 838151819 WHMHXGFQTTXLHF-LLVKDONJSA-N 278.352 3.509 30 20 CHED CC(C)c1ccc(C(C)(C)NC(=O)CCCC#N)cc1 589768593 VVMGHOVTYPZANK-UHFFFAOYSA-N 272.392 3.855 30 20 CHED CCN(CC#Cc1ccc(Cl)cc1)CCC(F)(F)F 674249890 MTUZTDJKYYURNY-UHFFFAOYSA-N 289.728 3.966 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1ccccc1 739421163 DUPSWCPXMIKYIL-UHFFFAOYSA-N 279.265 3.937 30 20 CHED C=CC(C)(C)C(=O)OCc1nc(Cl)ccc1Cl 835129118 YNAFNAPVVXQKFD-UHFFFAOYSA-N 274.147 3.644 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)/C=C\SCc2ccco2)C1 839057312 SJMMOMASKMFEAT-UWNIJABGSA-N 291.372 3.652 30 20 CHED Fc1cccc(C=NNc2c(F)cccc2F)c1F 735615495 QXANWCRHZVINTJ-UHFFFAOYSA-N 268.213 3.689 30 20 CHED Cc1ccc([C@H](c2noc(C(C)(C)C#N)n2)C(C)C)cc1 581277348 NGUCSFBTMRGJQA-CQSZACIVSA-N 283.375 3.967 30 20 CHED C#C[C@H](NC(=O)C(C)=C1CCC1)c1ccc(Cl)cc1 832920060 PRWIEIGQDOZYIT-HNNXBMFYSA-N 273.763 3.631 30 20 CHED C=C(CNC(=O)Cc1ccc(CC)cc1)c1ccccc1 672481023 IXYJIQKPNGFQPW-UHFFFAOYSA-N 279.383 3.621 30 20 CHED CC1(CC(=O)N(c2ccc(C#N)cc2)C2CCC2)CC1 598881738 HFKTURKGBLNWAZ-UHFFFAOYSA-N 268.360 3.634 30 20 CHED CC[C@@H](C(=O)N(C1CC1)[C@H](C)C#N)C1CCC(C)CC1 598131798 CZLYRDMVTCLTSR-YWIABWOTSA-N 276.424 3.742 30 20 CHED COCC(=NNc1cccc2c1CCCC2)C(C)C 741461836 QXMHZLVJIKHBGW-UHFFFAOYSA-N 260.381 3.636 30 20 CHED CCC1(NC(=O)N[C@@H](C)c2cccc(C#N)c2)CCCC1 590928223 UFJOJYBCKDBPTK-ZDUSSCGKSA-N 285.391 3.641 30 20 CHED C=C(Br)CSCc1ccccc1OC 918746823 QEAZTLSEDAWUEV-UHFFFAOYSA-N 273.195 3.837 30 20 CHED CC(C)(C#N)CCCN1CC(C)(C)[C@H]1c1cccnc1 596589704 CARVZMCJTUZUDS-OAHLLOKOSA-N 271.408 3.794 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@H]2CC23CCC3)cc1C#N 590773316 FPBFRXXALWWPRT-CQSZACIVSA-N 298.386 3.864 30 20 CHED C[C@H]1CCCN1Cc1ccc(-c2ccc(C#N)nc2)cc1 592986817 QVASLWBQOHQMMD-AWEZNQCLSA-N 277.371 3.605 30 20 CHED N#CC1(Cc2nc([C@H]3CCC(F)(F)C3)no2)CCCCC1 596599172 QVUXWTFWOAQTNY-NSHDSACASA-N 295.333 3.989 30 20 CHED CCC/C(C)=C\C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842943869 ZQBKCBVNCYMLPB-UMAGTOLTSA-N 274.389 3.943 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H]2CCC[C@H](C)C2)c1 749785775 LEIHWABACSZCRE-DZGCQCFKSA-N 255.361 3.823 30 20 CHED N#Cc1cc(-c2cccc(CO[C@H]3CCOC3)c2)ccc1F 593954882 STPWTXLKVBRKKW-KRWDZBQOSA-N 297.329 3.670 30 20 CHED C[C@@H]1[C@@H](NC(=O)CC2(C#N)CCCCC2)CCC[C@H]1C 596629596 DWZKVGXURWTJCQ-ILXRZTDVSA-N 276.424 3.791 30 20 CHED C=CCCSCCNCc1cc2cc(Cl)cnc2o1 594966292 FPKOFBCFZCMAIV-UHFFFAOYSA-N 296.823 3.880 30 20 CHED CC[C@@H](NC(=O)CC1(C#N)CCCCC1)[C@@H]1CC1(C)C 597783351 JJYGWBKQOXRDMC-UONOGXRCSA-N 276.424 3.791 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 749030160 VPCARXFSWIZSNC-NSHDSACASA-N 263.293 3.555 30 20 CHED C(=NNc1ncccn1)c1cc(-c2ccccc2)cs1 917545382 ARKNCQUXGVKMTJ-UHFFFAOYSA-N 280.356 3.651 30 20 CHED CC(C)CNN=Cc1c(-c2ccccc2)nc2sccn12 917029162 SRXSBQIHXKGNJH-UHFFFAOYSA-N 298.415 3.642 30 20 CHED CC[C@@H](NCc1cccc(OCCCC#N)c1)C1CC1 594979986 NZXXSAVOTCWJLO-QGZVFWFLSA-N 272.392 3.647 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1 596595408 ZJFWOWJLBIWTJX-QGZVFWFLSA-N 295.361 3.675 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 741722322 FLAJBNHKWRNLJF-HZPDHXFCSA-N 282.472 3.726 30 20 CHED CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(F)F 590778702 NBRKNTCVOCJASZ-UONOGXRCSA-N 264.319 3.569 30 20 CHED N#Cc1cnccc1N1CCC[C@@H](c2ccc(F)c(F)c2)C1 599117019 IPMJCGHRXHTJIA-CYBMUJFWSA-N 299.324 3.615 30 20 CHED N#CCN(C(=O)c1ccc(C(F)F)cc1F)C1CCCC1 593980661 UFYSNLCLJHFXDA-UHFFFAOYSA-N 296.292 3.672 30 20 CHED N#CCC1(CNc2ccc(CC(F)(F)F)cc2)CC1 593932340 WPUNEHGZYZOGED-UHFFFAOYSA-N 268.282 3.897 30 20 CHED C#C[C@@H](CC)NC(=N)Nc1cccc(Oc2ccccc2)c1 849097294 NGPTXCOMOIQZCO-AWEZNQCLSA-N 293.370 3.827 30 20 CHED C#C[C@@H](OC(=O)C1(F)CCCC1)c1ccc(Cl)cc1F 842354166 TXWQOBSNXXQJPL-CYBMUJFWSA-N 298.716 3.979 30 20 CHED COc1cccc(O)c1/C=N\C[C@H](C)Cc1cccs1 741463706 HSASCYUDFPMDPW-ZSAINHDTSA-N 289.400 3.760 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc(C(F)F)nc1 595053607 WSEQNTHJVRIJNN-SNVBAGLBSA-N 267.323 3.610 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)CCOc2ccccc21 748999424 XTJCYWJBCVDFAZ-XFXZXTDPSA-N 285.730 3.784 30 20 CHED Cc1ccc(F)c(/C=C2\Oc3ccccc3C2=O)c1 742435906 DTCJZDULLFGOFJ-DHDCSXOGSA-N 254.260 3.750 30 20 CHED C=C[C@@H](C)ONC(=O)CCC[C@@H](C)c1cccc(OC)c1 846555966 WAFKUIHDHQFSIY-ZIAGYGMSSA-N 291.391 3.591 30 20 CHED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CC[C@@H](C#N)C1 590156318 DLPWVGRIRBGUMI-QXCFHYIPSA-N 298.430 3.778 30 20 CHED C#CCCc1noc([C@H](CC)Sc2ccccc2)n1 842491961 PROCJULBEGUTRU-ZDUSSCGKSA-N 272.373 3.879 30 20 CHED C=CCC[C@@H](C)OC(=O)CC[C@@H]1CC1(Cl)Cl 849876066 NVFIMGBGCVTUNR-NXEZZACHSA-N 265.180 3.858 30 20 CHED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccccc1C 746497739 KMTHZHBFCSKIQO-UHFFFAOYSA-N 296.374 3.988 30 20 CHED C=C(CC)CNc1cc(F)c(Cl)cc1N1CCOCC1 685205300 JFIYZNNVBIFKSL-UHFFFAOYSA-N 298.789 3.694 30 20 CHED C#CCCCC(=O)OCc1ccccc1Oc1cccnc1 759198617 VLWMIONFILSVNO-UHFFFAOYSA-N 295.338 3.721 30 20 CHED C#CCN(C(=O)c1ccc(-c2csc(C)n2)cc1)C(C)C 928624227 BTPQCKSBCJQKSR-UHFFFAOYSA-N 298.411 3.602 30 20 CHED N#Cc1ccc(C=NOc2ccccc2C(F)(F)F)cc1 754712783 TUIBFKCEUNQFOI-UHFFFAOYSA-N 290.244 3.990 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C1/CC[C@H](C)C1 753594286 SUWQNAXEQTYTQB-IXJPEXDMSA-N 284.359 3.642 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2SC)CC1 929194432 AIDBHYFJUDQFMR-UHFFFAOYSA-N 262.378 3.592 30 20 CHED c1ccc2[nH]c(NN=C3CCC4(CCOCC4)CC3)nc2c1 751516973 UREDSYDCXJEMLF-UHFFFAOYSA-N 298.390 3.702 30 20 CHED CC#CCOC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 753561731 KTPCXFKSRYBVCI-KBPBESRZSA-N 256.345 3.542 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)C1CCC1)c1ccccc1 681668080 TVPCRMRCPVSJPQ-XJKSGUPXSA-N 257.377 3.651 30 20 CHED C#CCCCCC(=O)N(C)C/C(C)=C\c1ccccc1 755488057 YXHDFZHEEOLWLS-PEZBUJJGSA-N 269.388 3.742 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H](C)c1cccs1 851209454 LDMLOPJBXFBEQK-MNOVXSKESA-N 265.378 3.723 30 20 CHED C#CC[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1 757582354 ZUOBEOZZVQPSJA-OAHLLOKOSA-N 295.407 3.731 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 755988782 NPHFJTHQIKROLA-CYBMUJFWSA-N 284.359 3.815 30 20 CHED COc1ccc(NN=Cc2ccc(O)c(Cl)c2)cc1 750923027 BZGKUKURHYXSPX-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C=C[C@H](CC)CC(=O)NCc1ccccc1COC(C)C 929908348 KETGXYCJOMNCRL-OAHLLOKOSA-N 289.419 3.830 30 20 CHED COc1cccc(C(=O)/C=C/c2nc(Cl)cs2)c1 759072640 KPOYJGMKVLCDSX-AATRIKPKSA-N 279.748 3.701 30 20 CHED N#Cc1ccc(COC(=O)c2cccc3c2CCC3)c(F)c1 920678222 OQKBQLORQDDWRK-UHFFFAOYSA-N 295.313 3.543 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H]1CCCc1ccccc1 753242652 GOCJAVXPTJNMOQ-QZTJIDSGSA-N 298.430 3.595 30 20 CHED CC[C@H](C#N)OC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 753552240 AQUJBRPQWFTTCT-MGPQQGTHSA-N 271.360 3.821 30 20 CHED N#Cc1ccccc1/C=C1/Cc2c(F)cccc2C1=O 755590733 ORYDVXCJQQDOLP-JYRVWZFOSA-N 263.271 3.520 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1 935212940 UWXWRQGDVBCHCF-XNJGSVPQSA-N 293.382 3.620 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1cc(C(C)=O)cn1C 851141264 HEPFQKDZEXTPPA-CZUORRHYSA-N 289.375 3.519 30 20 CHED N#Cc1ccc(/C=C2\Cc3c(F)cc(F)cc3C2=O)c(F)c1 751537830 ZYEXLWOKWDQOQA-NYYWCZLTSA-N 299.251 3.798 30 20 CHED CCCCCCCCN1CC[C@H](C(F)(F)F)[C@@H](CN)C1 697663082 UPOLUSNSNYXSMP-KBPBESRZSA-N 294.405 3.806 30 20 CHED CC[C@@]1(C)CCN(Cc2ccc(N(C)CCC#N)cc2)C1 769518783 CXLHOWAAKSIVDY-SFHVURJKSA-N 285.435 3.658 30 20 CHED CC(C)(CCC#N)COC(=O)Cc1ccc(F)c(Cl)c1 860736335 ZSVGTNJBBNCCQA-UHFFFAOYSA-N 297.757 3.895 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccccc1COC(C)(C)C 932535165 MWDDWZLSTPGXCD-UHFFFAOYSA-N 288.391 3.535 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2ccccc2[C@@H]1C 932177182 LIBGQIXQEFFACY-UONOGXRCSA-N 257.377 3.735 30 20 CHED C#CCCN(Cc1ccc(Cl)c(F)c1)CC(F)(F)F 768534342 NNFDISTYJUWROI-UHFFFAOYSA-N 293.691 3.867 30 20 CHED COc1ccc(C(=O)OCC(C)(C)CC#N)c2ccccc12 764834644 WEWMLEQTCZIGAM-UHFFFAOYSA-N 297.354 3.945 30 20 CHED C=CCNC(=S)NCCc1cccc(-c2ccccc2)c1 760278341 DJVRIYGEKIZJER-UHFFFAOYSA-N 296.439 3.546 30 20 CHED CC(C)(C#N)CCCCOC(=O)CC1CCCC1 768371120 GKXKFEAAAZNPOK-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C#CCCN1CCC[C@H]1c1cc(F)cc(Br)c1 767877071 SZMCSRVYXMYGNI-AWEZNQCLSA-N 296.183 3.748 30 20 CHED C#CCN(C(=O)c1sc2ccc(F)cc2c1C)C1CC1 763794894 DNIIKLNSMLREJT-UHFFFAOYSA-N 287.359 3.587 30 20 CHED C=C1CCN(Cc2ccccc2N2CCCCC2)CC1 769337431 DXUODTXQLQALJN-UHFFFAOYSA-N 270.420 3.829 30 20 CHED C#CCCCCC(=O)OCc1ccc(Cl)cc1C 769128954 BQMWJSFDMJYCTC-UHFFFAOYSA-N 264.752 3.885 30 20 CHED Cn1ccc(NN=CC2CCC(C(C)(C)C)CC2)n1 1116743644 BEHDOEDMOGDVQH-UHFFFAOYSA-N 262.401 3.670 30 20 CHED C#CCOC(=O)/C(C)=C\c1c(Cl)cccc1Cl 766797140 ZGGSAMHBAPAZPQ-HJWRWDBZSA-N 269.127 3.573 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccc(OCC)cc1 779735045 HAGJFTXIMYNEOL-UHFFFAOYSA-N 287.403 3.627 30 20 CHED Clc1ccnc(NN=C[C@H]2C[C@@H]2c2ccccc2)c1 777905698 KGEJDWYSECYJSX-TZMCWYRMSA-N 271.751 3.936 30 20 CHED C=CCSc1ccccc1C(=O)Nc1n[nH]c(C)c1C 777193064 CCSZNHCMFHFTHC-UHFFFAOYSA-N 287.388 3.557 30 20 CHED COC(=O)c1coc(/C=C2\CCCc3ccccc3C2=O)c1 774104454 IXIGZNPKMWUFNN-UKTHLTGXSA-N 296.322 3.669 30 20 CHED C[C@@H](OC(=O)c1c[nH]c(C#N)c1)c1ccc2ccccc2c1 779199075 VFEORFGFQOQBPM-GFCCVEGCSA-N 290.322 3.958 30 20 CHED C=CCCCOC(=O)c1cc(C)n(C(CC)CC)n1 776429662 PSEOZGKARPMZIN-UHFFFAOYSA-N 264.369 3.676 30 20 CHED C(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(-c2ccccn2)c1 774593863 STMKPPZKYHVGMS-FNHZYXHNSA-N 291.398 3.861 30 20 CHED C=C(CC)COC(=O)[C@H](C)Sc1ccc(OC)cc1 773496992 XMDBCMIBCKNSTR-LBPRGKRZSA-N 280.389 3.685 30 20 CHED C#CCCCCCC(=O)N(C)[C@H](CC)c1ccncc1 779953609 IPXCGERZKDVGDT-MRXNPFEDSA-N 272.392 3.575 30 20 CHED C#CCCCCCC(=O)N(CC)c1cccc(OC)c1 779828889 QJFMPRRKZFSFNB-UHFFFAOYSA-N 273.376 3.632 30 20 CHED N#CCSCCCN1CCCC2(CCCCC2)C1 74990735 PRJCMVWPGKREAQ-UHFFFAOYSA-N 266.454 3.680 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@H]1c1ccccc1 773084975 AGFXYVLWVNERMF-AWEZNQCLSA-N 280.375 3.946 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NNc1ccccc1 782218917 KNNRHJAGGQFKHD-UHFFFAOYSA-N 278.359 3.984 30 20 CHED N#Cc1cccc(COC(=O)c2csc(Cl)c2)c1 786348083 BNFZOHRRRYQDDG-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CCSc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 883245262 IDNDDRCSVWPKDZ-ZIAGYGMSSA-N 260.406 3.580 30 20 CHED CN(CCC#N)C(=O)Nc1cc(Cl)cc(Cl)c1F 880893490 PTBNHANMKUXVQW-UHFFFAOYSA-N 290.125 3.510 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc2ccncc12 889462486 IPPSDXLNMUQRCW-UHFFFAOYSA-N 254.333 3.776 30 20 CHED C[C@H]1CCCC(=NNc2cc(C#N)cc(Cl)n2)[C@@H]1C 781128794 VDYXDKWOBHMKBJ-VHSXEESVSA-N 276.771 3.831 30 20 CHED C[C@H](C(=O)OCCCC(C)(C)C#N)C1CCCC1 784016943 SAALFGQZVHFHLY-LBPRGKRZSA-N 251.370 3.686 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(S[C@H](C#N)CC)c1 781194135 GZAJNLIVSGLGLO-STQMWFEESA-N 288.372 3.540 30 20 CHED CCS[C@@H](C(=O)OCc1ccc(F)cc1C#N)C(C)C 785818385 GCRXFZCIIUCVTF-CQSZACIVSA-N 295.379 3.518 30 20 CHED C=CCCCCCN(C)Cc1ccc(OC)c(OC)c1O 892069084 FLTUGVFRUVCPCQ-UHFFFAOYSA-N 293.407 3.588 30 20 CHED C#CCC1(C(=O)Nc2cc(C#N)ccc2F)CCCCC1 891451798 QSVRQBMYMCFBOI-UHFFFAOYSA-N 284.334 3.610 30 20 CHED C[C@H](CCC(=O)Nc1ncc(C#N)s1)c1ccccc1 896485123 TWGMBYRGUUPWKA-LLVKDONJSA-N 285.372 3.537 30 20 CHED C#C[C@H](CCC)NC(=O)CSc1ccc2ccccc2c1 791200816 FDRXHLZOVHOTQN-MRXNPFEDSA-N 297.423 3.850 30 20 CHED Cc1ccnc(Oc2ccc(C#N)cc2Cl)c1[N+](=O)[O-] 301287393 MEBIIXWMHQBUES-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CCCCCCCCNC(=O)N1CCSCC[C@@H]1C 790432948 BSFVUHIDHRUIHB-AWEZNQCLSA-N 286.485 3.884 30 20 CHED C=CCCCCC[C@H](C)NC1CCN(CC=C)CC1 793527213 OTWZXNLFYPYQET-INIZCTEOSA-N 264.457 3.751 30 20 CHED COc1ccc(NN=C2CCC[C@H]2c2ccccn2)cc1 794923616 QAGNEFAIWZKZSV-HNNXBMFYSA-N 281.359 3.826 30 20 CHED COc1c(C)cc(C(C)=NO[C@H]2CCCCO2)cc1Cl 794923718 UCPVTIVIKMQVCA-AWEZNQCLSA-N 297.782 3.924 30 20 CHED CC(C)[C@H](C=NO[C@@H]1CCCCO1)c1ccccc1 794524937 WTWMQMWBLRPYHZ-JKSUJKDBSA-N 261.365 3.955 30 20 CHED C=C(Cl)CNC(=O)c1sc2ccc(C#N)cc2c1C 794338364 BUTAOGILWAINPR-UHFFFAOYSA-N 290.775 3.564 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H]1CCCC[C@@H]1C 799329727 LFFDABYPNBJFMW-WMLDXEAASA-N 284.403 3.908 30 20 CHED CCSC1(CNc2c(F)cc(C#N)cc2F)CC1 596512001 YZVNNUGOWXJGRE-UHFFFAOYSA-N 268.332 3.534 30 20 CHED Cc1coc(C)c1C(=O)O[C@H](C#N)C1CCCCC1 792779392 ZJVGBFYZLQLJTC-CYBMUJFWSA-N 261.321 3.526 30 20 CHED CC(C)C[C@H](C)CON=C(N)c1nccc2ccccc12 799175797 QNQKMUZUIRQQKC-ZDUSSCGKSA-N 285.391 3.554 30 20 CHED C=CCNc1nc(C(=O)OC[C@H](C)CC(C)C)cs1 798578108 ZOBUFFQIJAVVSO-LLVKDONJSA-N 282.409 3.580 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(Cl)cc1C#N 796455135 LUPGEIQLUHPXQF-UHFFFAOYSA-N 277.751 3.857 30 20 CHED CCO[C@@H]1CCC[C@@H](Nc2cc(C)cc(C#N)c2)C1 721170570 WYHIXUISHHFJIU-GDBMZVCRSA-N 258.365 3.626 30 20 CHED C[C@H](CNc1c(C#N)nnc2ccccc12)C(C)(C)C 96867073 KRMLSSBFKZLQJZ-LLVKDONJSA-N 268.364 3.596 30 20 CHED Cc1cc(N2CC[C@H](c3ccccc3)[C@@H](C)C2)c(C#N)cn1 1162618878 LJSOYGVMQWLGHK-KSSFIOAISA-N 291.398 3.892 30 20 CHED COc1cc(C#N)ccc1CN(CC(C)C)C1CCCC1 1167219037 VIIOBBIBKCVUMG-UHFFFAOYSA-N 286.419 3.967 30 20 CHED CC(Cc1ccccc1Cl)=NN=C(C)c1cnccn1 1318836156 SNDMBRBQSDSUDN-UHFFFAOYSA-N 286.766 3.558 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)c(F)c1 1320044885 JKMYDEUOQRFTQB-GHMZBOCLSA-N 279.746 3.573 30 20 CHED C=C[C@H](CC(=O)N(CC)C(C)(C)C)c1ccccc1 1325495809 XUVZTUYMDGWYPW-CQSZACIVSA-N 259.393 3.993 30 20 CHED Cc1cc(N[C@H](C)c2ccccc2C)ncc1C#N 1187189524 AWPYXQCMAWKPIY-CYBMUJFWSA-N 251.333 3.743 30 20 CHED CC(C)CCCCc1nnc(COc2ccccc2C#N)o1 1327333004 YVGMWCZZDGSRNU-UHFFFAOYSA-N 299.374 3.889 30 20 CHED C#CCN(Cc1ccccc1N1CCCCC1)CC1CC1 1336655732 IXDURVBHJJBEGU-UHFFFAOYSA-N 282.431 3.522 30 20 CHED CC[C@@H](C)CCc1nnc(-c2ccc(C#N)cc2)o1 1330099129 KCLPDJQYAXKOLA-LLVKDONJSA-N 255.321 3.587 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc2ccccc2c1 1255018480 GBNPTYVBTKLBBI-CXAGYDPISA-N 255.361 3.691 30 20 CHED CC(C)(NC(=O)Cc1ccccc1CC#N)C1CCCCC1 1341838668 QBAROZSEPROYLQ-UHFFFAOYSA-N 298.430 3.770 30 20 CHED Cc1ncc(CSCc2ccc(C#N)cc2Cl)cn1 1346115933 HDUSFKSABZSOBF-UHFFFAOYSA-N 289.791 3.744 30 20 CHED Cc1ccc(F)cc1COC(=O)CC#Cc1ccccc1 1343219136 MPYGAICCNLLFHK-UHFFFAOYSA-N 282.314 3.619 30 20 CHED CC(C)c1ccc(CNC(=O)c2ccc(C#N)cc2F)cc1 1349971933 BOQLUDFVWCKGEV-UHFFFAOYSA-N 296.345 3.751 30 20 CHED CSCC[C@@H](C)N(C)c1ccc(C#N)c(Cl)c1 157721830 AUEKSZLYGHRDCW-SNVBAGLBSA-N 268.813 3.789 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCCCCC1 1359141805 SASOHHABCZNQIY-UHFFFAOYSA-N 282.819 3.534 30 20 CHED C=C(Cl)Cn1c(CC(C)C)nnc1N(C)C[C@@H](C)CC 1359152212 PGMZPTWAIAZFMY-LBPRGKRZSA-N 298.862 3.711 30 20 CHED Cc1ccc([C@H](C)NCc2cccc(C#N)c2F)cc1 221955108 PKQKYYXGHIWEHS-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED Cc1nc(N2CCC[C@@]2(C)CC(C)C)ccc1C#N 1458410338 ZUMBIERDWUMZLT-INIZCTEOSA-N 257.381 3.667 30 20 CHED COc1ccc(Cl)cc1NC(=O)c1ccsc1C#N 1525279840 OATGYCSLSSLZHZ-UHFFFAOYSA-N 292.747 3.534 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1cccc2c1CCC2 1532005903 VBFZIYQRAFUTKT-UHFFFAOYSA-N 296.757 3.953 30 20 CHED CC(C)CN(CCC#N)Cc1ccccc1OCC(F)F 1462017336 GMCLVXMTNHXNHD-UHFFFAOYSA-N 296.361 3.702 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc(F)cc(C#N)c1 1467153836 ZXWDULUNPWRXSG-WDEREUQCSA-N 277.343 3.644 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)c1sccc1C 1602992368 VMKSUEQIYVPVBI-UHFFFAOYSA-N 288.372 3.899 30 20 CHED CC(C)CN(CCC#N)C(=O)CC(C1CCC1)C1CCC1 1544094169 NBQIUEVBJJZOBF-UHFFFAOYSA-N 290.451 3.991 30 20 CHED Cc1ccc(CCNc2cccc(CC#N)c2)cc1 1474527415 BBEUDPUJMYZICZ-UHFFFAOYSA-N 250.345 3.716 30 20 CHED C[C@H](Nc1nc(C(F)(F)F)ns1)c1ccc(C#N)cc1 228774509 YLEAALPUKMYPCH-ZETCQYMHSA-N 298.293 3.602 30 20 CHED Cc1cc(Sc2ccc(C(F)(F)F)cn2)ncc1C#N 1559059974 PCJQEFHVUFNEGS-UHFFFAOYSA-N 295.289 3.827 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1 119917219 NCYXAPOQIDQUQT-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@H](Nc1cncc(C#N)n1)c1cc(Cl)ccc1Cl 1639816866 RYVDYOSVIGLTCV-QMMMGPOBSA-N 293.157 3.828 30 20 CHED N#C[C@@H]1CCCN(Cc2cc(Cl)sc2Cl)C1 932154947 SLFWBOKMFWCECX-QMMMGPOBSA-N 275.204 3.790 30 20 CHED C[C@@H]1CC[C@@H](C)[C@@H](NCCc2ccc(C#N)cc2)C1 1560927829 CCORTIDYWCYGFT-CPUCHLNUSA-N 256.393 3.515 30 20 CHED CCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1562812341 NNTJNFHGOBFJNE-UHFFFAOYSA-N 297.383 3.851 30 20 CHED Cc1cc(C#N)ccc1CN1CC2(CC2)c2ccccc21 1645338936 XSFDFLZTVAAKNX-UHFFFAOYSA-N 274.367 3.919 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1ccc2nc(O)oc2c1 1640224098 JCPILUHJIOTCSO-VIFPVBQESA-N 297.289 3.717 30 20 CHED COc1ccc(CN2CCC[C@@H](C#N)C2)cc1C(C)(C)C 1659992769 KXTAFEDYADNYOE-HNNXBMFYSA-N 286.419 3.728 30 20 CHED CCC(C)(C)C1CCC(Nc2cncc(C#N)n2)CC1 1650442162 KMMCQRRFQWNSCW-UHFFFAOYSA-N 272.396 3.755 30 20 CHED CN(CC1(CC#N)CC1)[C@H]1CCC[C@@H]1c1ccccc1 1654690960 AAELDCKBTAHDDC-SJORKVTESA-N 268.404 3.948 30 20 CHED Cc1ccc2ncc(C#N)c(OCCC3CCC3)c2c1 1656584655 NLKSSLBKRNNMHD-UHFFFAOYSA-N 266.344 3.984 30 20 CHED CCC[C@H](CC)NC(=O)Nc1cc(C#N)c(F)cc1F 1664256045 OHSKPMYLZCXAAH-JTQLQIEISA-N 281.306 3.537 30 20 CHED Cc1ccc(CN(C)Cc2cccc(F)c2C#N)cc1C 1660028033 RJSOGLKSPVCSPB-UHFFFAOYSA-N 282.362 3.946 30 20 CHED CCO[C@@H]1CCC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 1662681473 OCCBKDCXBBODHP-LMMKCTJWSA-N 298.430 3.873 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCC[C@@H](C)C2)c1 1672775954 VLSWQAWUPZODOH-OCCSQVGLSA-N 285.391 3.815 30 20 CHED Cc1c(NN=C2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cccc1C(=O)O 1776087193 NCKFEHSPHCHLKY-GPMKHBRKSA-N 284.359 3.527 30 20 CHED C=CCC[C@H](C)N1CCC(c2ccc(C(=O)O)cc2)CC1 1776166269 TUIPWNZIXXKVMU-AWEZNQCLSA-N 287.403 3.919 30 20 CHED CC[C@](C)(C#N)NC(=O)CSc1ccc2ccccc2c1 162088205 VEPOFAFIEYMRLC-QGZVFWFLSA-N 298.411 3.740 30 20 CHED C=CCNC(=O)C[C@H](C)c1ccccc1C(F)(F)F 158247189 WSLDBDAKONKKIW-JTQLQIEISA-N 271.282 3.501 30 20 CHED CC(C)(C)c1nnc(SCc2ccc(F)c(C#N)c2)o1 158544588 BNFFSBIEPWXUGP-UHFFFAOYSA-N 291.351 3.670 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cccc(F)c2)cc1 205667388 JBUJYFFOVDPSPC-YFHOEESVSA-N 284.286 3.508 30 20 CHED CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NC2(C#N)CCCC2)cc1 151666101 KTLCZJFOAKQKHT-SJORKVTESA-N 296.414 3.866 30 20 CHED C#CCCCCNC(=O)CCCc1cc(C)sc1C 156191972 YEBOTLFDDNFARN-UHFFFAOYSA-N 277.433 3.607 30 20 CHED CC(C)[C@H](C)CC(=O)N(C)c1cc(Cl)ccc1C#N 156867852 XGBKFLHROXIPKI-LLVKDONJSA-N 278.783 3.857 30 20 CHED CCCCCCCn1nc(C)c([C@@H](C)C(=O)OC)c1C 159275052 UMBYQAVVXSOLHV-GFCCVEGCSA-N 280.412 3.747 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C)s1 45935119 JHBAYZRMDJUVNQ-UHFFFAOYSA-N 271.385 3.885 30 20 CHED Cc1ccccc1[C@@H](C)NCc1cccc(C#N)c1 20126138 JAAFNKIRFYNGCX-CQSZACIVSA-N 250.345 3.718 30 20 CHED N#Cc1ccc(NC(=O)c2ccsc2Cl)cc1 1264212398 FIGNSNYXKCBMAG-UHFFFAOYSA-N 262.721 3.525 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1 135151985 JTCNTBNQPBDDJO-UHFFFAOYSA-N 274.682 3.603 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1 136411231 ZYBJJIVNCNPQDG-CQSZACIVSA-N 282.368 3.678 30 20 CHED N#Cc1cc(NC(=O)c2ccc(Cl)c(F)c2)ccc1F 152196602 HLDWEUAZDZFEEF-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(C#N)cc2Cl)CC1 441062339 KSWONCZJRQSYIW-UHFFFAOYSA-N 276.767 3.976 30 20 CHED C#CCN(C(=O)[C@@H](C)C1CCCC1)C1CCCCC1 749362316 ILDXXOQFYMCNDT-AWEZNQCLSA-N 261.409 3.607 30 20 CHED C=C(C)CN1CCC(NCc2c(F)cccc2Cl)CC1 106246018 SCUKLZMLOJOONO-UHFFFAOYSA-N 296.817 3.609 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](C)CCC 109727413 KMTXGOOLYOXGKD-AWEZNQCLSA-N 275.367 3.614 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1Cc1ccccc1Cl 57140408 HUVDQYFEDUFGKB-OAHLLOKOSA-N 297.789 3.818 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C)c1 105017806 RZNZZYCHRMKLDP-SWLSCSKDSA-N 274.364 3.562 30 20 CHED N#Cc1ccsc1NC(=O)c1coc2ccccc12 113012281 BMSOTDOHHUOJLN-UHFFFAOYSA-N 268.297 3.618 30 20 CHED C=C(C)CN(CC)C(=O)Cc1c(Cl)cccc1Cl 57157946 GVJFNGYGTBBMJH-UHFFFAOYSA-N 286.202 3.961 30 20 CHED CCCCCCCC(=O)NCc1ccc(F)cc1F 59687624 IPEKWLZCDXHIKE-UHFFFAOYSA-N 269.335 3.942 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C)n(Cc2ccccc2)c1C 116852436 QTCQMLCTFHREJW-CQSZACIVSA-N 296.414 3.848 30 20 CHED C#CCN(C(=O)c1cccc(Cl)c1)C1CCCCC1 65777822 ZAIILEWIRSCWMO-UHFFFAOYSA-N 275.779 3.748 30 20 CHED C[C@H](C[C@@H](O)c1ccccc1)Nc1cccc(F)c1C#N 301622541 DXHUADRYCUNOSX-SJKOYZFVSA-N 284.334 3.621 30 20 CHED Cc1nc(N(C)CCC#N)c2c(CC(C)C)csc2n1 301596190 GBAOBUOFUQOHEU-UHFFFAOYSA-N 288.420 3.548 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c(C)o1 113177783 CVXGGPVGLAGBDR-AWEZNQCLSA-N 288.734 3.545 30 20 CHED C=C(CC)C(=O)N1CCc2c(cccc2C(F)(F)F)C1 1350120845 DVPGOHMVNBJLOU-UHFFFAOYSA-N 283.293 3.556 30 20 CHED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1cccs1 301209910 SJPJEZJRXXDMLQ-QMMMGPOBSA-N 263.753 3.841 30 20 CHED CCCCc1nc(CSc2cccc(C#N)c2)no1 177109890 KBGMDDVCZHPDII-UHFFFAOYSA-N 273.361 3.576 30 20 CHED C=CCCCS[C@H](C)C(=O)Nc1cc(F)ccc1F 117944447 WVMCCAZCHMYPCA-SNVBAGLBSA-N 285.359 3.991 30 20 CHED C=CCN1CCC(N[C@@H](C)c2cccc(C)c2C)CC1 177905971 CDTSWIZFNADAPI-INIZCTEOSA-N 272.436 3.604 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)c1ccc(Cl)s1 175429607 CHAVXXWGIBJDSF-JTQLQIEISA-N 271.813 3.930 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1cc2ccccc2o1 61247753 ZFTVHJFBGWCUGY-LLVKDONJSA-N 274.389 3.534 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H](C)c1ccccc1F 120659540 ZFSQLXAZUGVSQR-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1ccc2c(c1)CCC2 53583327 NRDGKJDYYNTKRS-GFCCVEGCSA-N 263.344 3.615 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCCCC(C)C 303003349 ORZSXOPXNUDYLW-UHFFFAOYSA-N 288.435 3.863 30 20 CHED C#CCCCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 120106353 DGYFGEVYXZKKLR-GOSISDBHSA-N 287.378 3.977 30 20 CHED CSC[C@@H](C)C(=O)Nc1ccccc1SCCC#N 66774419 CINBXTDMNYHLHX-LLVKDONJSA-N 294.445 3.630 30 20 CHED C=CCC[C@H](C)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 230661203 LUUKIVWACPRFFX-LSDHHAIUSA-N 296.455 3.578 30 20 CHED C=C(C)CN(CCC)CC(=O)Nc1ccc(Cl)cc1 303575340 ZDJXZKDZNKIENF-UHFFFAOYSA-N 280.799 3.567 30 20 CHED CC1(C)Cc2cccc(OCc3ccc(F)cc3C#N)c2O1 303200876 OEJOIMFFUSUNDQ-UHFFFAOYSA-N 297.329 3.990 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cc(OC)c(OC)cc1C 180954104 LNJCDJADZFXAIT-QWHCGFSZSA-N 263.381 3.627 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(-c2ccccc2)cc1 183899452 MVXHPNVJPOKVDR-QGZVFWFLSA-N 278.355 3.776 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C)C1CC1)c1ccccc1 186249611 VYSRRBMIDAXLCG-CZUORRHYSA-N 257.377 3.651 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)NCc1ccc(C#N)cc1 501783264 BUAJQYVOACBZIQ-INIZCTEOSA-N 284.403 3.781 30 20 CHED O=C1/C(=C/c2cccnc2)CCOc2cc3c(cc21)CCC3 129164577 TYGYCRFXWXBJQE-CXUHLZMHSA-N 291.350 3.619 30 20 CHED C=CCN(CCCc1ccccc1OC)CCc1ccco1 505472246 RAUUFTVOYHNROC-UHFFFAOYSA-N 299.414 3.952 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@H](C#N)C2CCCCC2)C1 504564110 TVUNCGPAIAKNSN-BFJAYTPKSA-N 276.424 3.647 30 20 CHED CC[C@H](CC#N)OC(=O)CCCc1c[nH]c2ccccc12 187912128 OKMGIDPYVCJAJE-CQSZACIVSA-N 284.359 3.726 30 20 CHED C=CCOc1cccc(/C=C(/C)c2cnccn2)c1 126553527 OBBKOLHOKOVGBU-RAXLEYEMSA-N 252.317 3.602 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(SC)c(F)c1 129779913 HFPKERLQGLABGF-VIFPVBQESA-N 259.777 3.951 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc(-c2ccccc2)cs1 184858913 YRYKKNUGLJYGOB-UHFFFAOYSA-N 284.384 3.798 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C1CC1 78320888 CQHZXOQFZXUCHK-JTQLQIEISA-N 298.839 3.898 30 20 CHED C=C(C)[C@@H](NC(=O)CSCCC)c1ccc(F)c(F)c1 186041358 NGMNEGIQHIZYFR-OAHLLOKOSA-N 299.386 3.841 30 20 CHED C=CCN(Cc1cccc(C#N)c1)[C@@H](C)c1ncc(C)o1 411188706 DSPCGJHKGBTXMQ-AWEZNQCLSA-N 281.359 3.604 30 20 CHED COc1ccccc1CCCOc1ccc(C#N)cc1OC 180620095 QHWFVKDINYNWIT-UHFFFAOYSA-N 297.354 3.587 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 135129294 ZJLDRAUFSUSWBO-GDBMZVCRSA-N 279.424 3.587 30 20 CHED C=CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 186216848 YGTVDUGAJILCCU-INIZCTEOSA-N 296.326 3.893 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2CCc2ccccc2)c(F)c1 413066263 HRQUDYVBRKERNW-MRXNPFEDSA-N 295.361 3.694 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412141976 APRUCPSAOAATBH-OSRSDYAFSA-N 284.403 3.603 30 20 CHED CCCCOCCCNc1cccc(Cl)c1C#N 130842329 YXLZOQBLARYQNN-UHFFFAOYSA-N 266.772 3.830 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccc(F)cc1)C(C)C 410220907 UMBORFNYKGBZSI-DOMZBBRYSA-N 278.371 3.787 30 20 CHED N#Cc1nn(C[C@H]2CCCC(F)(F)C2)c2ccccc12 509082712 MPYRYZVTRIIHEW-NSHDSACASA-N 275.302 3.733 30 20 CHED CN(CCC1CCCCC1)Cc1ccc(C#N)cc1 507613907 FKXLNZALBGNPGL-UHFFFAOYSA-N 256.393 3.960 30 20 CHED CN(C(=O)Cc1cccc(C2CC2)c1)c1ccccc1C#N 415305536 HACFWXFULLQRLL-UHFFFAOYSA-N 290.366 3.641 30 20 CHED COc1ccc(CNc2cc(F)c(F)c(F)c2)cc1C#N 87824215 ANSTXLNMVFWDFG-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CC(C)[C@@H](CNCc1ccc(C#N)o1)Cc1ccccc1 190414127 ABMDZIILKFUGDU-MRXNPFEDSA-N 282.387 3.756 30 20 CHED Cc1cnc([C@@H](/N=C(/O)C2CCC(=O)CC2)C2CC2)s1 329898328 MCNSPYYDUZBTLN-ZDUSSCGKSA-N 292.404 3.618 30 20 CHED C#CCN(C)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 192237146 RYRNCLKILSDHOX-LLVKDONJSA-N 274.751 3.621 30 20 CHED N=C(O)C1CCC(/N=C(/O)[C@@H]2CC23CCCC3)CC1 329991917 KCCDYHFFSGIAOB-MCIGGMRASA-N 264.369 3.617 30 20 CHED C[C@@H]1CN(C[C@H](C#N)CCC#N)CC[C@@H]1c1ccccc1 131599569 VPRITBLRRWQEJQ-RYRKJORJSA-N 281.403 3.556 30 20 CHED C[C@H](/N=C(/O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccccn1 329723520 BITVXKBINTUPEQ-ZQDZILKHSA-N 287.407 3.615 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC(C)(C)C1 509854463 WDHLJKKASAUTJL-AWEZNQCLSA-N 266.429 3.953 30 20 CHED CC[C@H](C)C[C@H](C)Nc1c(C#N)nnc2ccccc12 88298911 HKXNIXHVGYMBTK-RYUDHWBXSA-N 268.364 3.738 30 20 CHED CCC[C@H](CCc1ccccc1)NC(=O)C1(C#N)CCCC1 130285284 XHFMEZDUQMKROA-QGZVFWFLSA-N 298.430 3.988 30 20 CHED Cc1c(NC(=O)C2C[C@H](C)C[C@@H](C)C2)ccc(C#N)c1C#N 421552107 BAMLSDUVKLILQM-VXGBXAGGSA-N 295.386 3.749 30 20 CHED CCC1(C(O)=Nc2cnc3c(c2)CCCC3)CCOCC1 329488332 YEHFKDAFFOXRNA-UHFFFAOYSA-N 288.391 3.755 30 20 CHED Cc1nc(CC/N=C(/O)[C@H]2CCCc3ccccc32)c(C)o1 328836110 MROCCKXYYHKJAN-INIZCTEOSA-N 298.386 3.911 30 20 CHED CCn1cc(N/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cn1 328763782 OLXQSEXHXASFPY-MELADBBJSA-N 290.411 3.588 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccn1 225655823 HPXCWXKHVBXDDA-UTUOFQBUSA-N 296.292 3.627 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](CC)C1 518569881 KZPVWHLCVVHBIK-UONOGXRCSA-N 276.428 3.604 30 20 CHED CCCCCCCCC(=O)N[C@H](C)c1cnn(C)c1C 192891690 QHPWQDAOWVMWMY-CYBMUJFWSA-N 279.428 3.656 30 20 CHED N#Cc1nccnc1Sc1ccc(Cl)c(Cl)c1 88304053 RWYWBHOUJKHVQM-UHFFFAOYSA-N 282.155 3.806 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(OC)c1 424850202 ISGJVPPEPYPVDO-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(F)c(OC)c2)no1 424338913 PBFLHAGCOYYPEZ-UHFFFAOYSA-N 276.311 3.738 30 20 CHED CCN(CC)C(=O)c1sc2ccc(C#N)cc2c1C 336421015 DPETTXGKTFGSDO-UHFFFAOYSA-N 272.373 3.563 30 20 CHED CSc1ccc(OC(=O)c2ccccc2OCC#N)cc1 194111579 NJCYRYKKWGUGJH-UHFFFAOYSA-N 299.351 3.530 30 20 CHED C[C@@H]1CCc2c(sc(NC(=O)C[C@H]3C[C@H]3C)c2C#N)C1 516944226 YYAOKZQLNAYBJJ-GMTAPVOTSA-N 288.416 3.729 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H](CC)C1 338862171 CZEORBNHXJTBKJ-CQSZACIVSA-N 288.439 3.748 30 20 CHED CC(C)CC(CC(C)C)/N=C(/O)c1csc(O)n1 331020054 XFNPHVFYXVELTJ-UHFFFAOYSA-N 270.398 3.614 30 20 CHED C=CCCCCCN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 193346283 DSCNPWLSNNCUGF-INIZCTEOSA-N 294.483 3.607 30 20 CHED CC(C)CC[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 236620928 LZCGWPXGKBNJHZ-LSDHHAIUSA-N 274.408 3.892 30 20 CHED COc1cccc(/C=C2\CCOc3ccccc3C2=O)c1F 195502928 KEVODLISBYPVOQ-ACCUITESSA-N 298.313 3.883 30 20 CHED O/C(=N/CCC1CCCCC1)N[C@H]1CCOC2(CCC2)C1 330220008 PXIAJTBKXYHZKZ-HNNXBMFYSA-N 294.439 3.562 30 20 CHED C=CCCCCCN[C@H](C)c1c(F)cncc1F 513267055 NXXGSSAWOROEAG-LLVKDONJSA-N 254.324 3.757 30 20 CHED OC(=Nc1cccc(-c2cnco2)c1)[C@H]1CCCN1C1CC1 330251206 HLMYWNJVKLRXHM-OAHLLOKOSA-N 297.358 3.556 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@]1(C#N)CC12CCCC2 516146999 ONZCDDXJOIYTIO-IIDMSEBBSA-N 288.435 3.793 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CC=CCC1 425649527 DOPDQAFDIZQAET-CABCVRRESA-N 297.402 3.617 30 20 CHED N#Cc1cc(NCC[C@@H]2CCCCO2)ccc1C(F)(F)F 231719017 ADTOHPYCXXGFJR-ZDUSSCGKSA-N 298.308 3.948 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cccc(O)c1 92217532 YIRQXEWFFJWFEO-UHFFFAOYSA-N 283.371 3.589 30 20 CHED Cc1ccc(-c2n[nH]c(S[C@H]3CC[C@H](C#N)C3)n2)cc1 336266325 USMCDQWGIZYERP-AAEUAGOBSA-N 284.388 3.565 30 20 CHED CCCCCCCC(=O)OCc1oc(C)nc1C 142939219 IALIJFNKVYWJBT-UHFFFAOYSA-N 253.342 3.695 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)NCC(C)(C)CCC#N 513113095 JIYKHRNJPDWJJO-GJZGRUSLSA-N 293.455 3.927 30 20 CHED C=CCC[C@@H](C)NC[C@@H]1CCCN(c2ccccc2)C1 433087623 JMJAZDJORUSOTL-SJORKVTESA-N 272.436 3.847 30 20 CHED N#Cc1csc(C(=O)N2CC3(CCC3)c3ccccc32)c1 336078267 SQQWLSVPQOPWGE-UHFFFAOYSA-N 294.379 3.702 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(-c2cccs2)c1 335142863 GTCYJDIPUOZHLM-JTQLQIEISA-N 256.330 3.513 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 335556230 AZRQMOAXANPTPH-AWEZNQCLSA-N 272.392 3.593 30 20 CHED Cc1cc(C)c2cc(C(=O)N(CCC#N)C(C)C)[nH]c2c1 523375758 BNZPVVGLPPKGHP-UHFFFAOYSA-N 283.375 3.549 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](CCC)CC1CCCC1 91967054 VYYIKKYLUPEMFW-CABCVRRESA-N 264.413 3.791 30 20 CHED COc1ccc(CSCCC2(C#N)CCCCC2)nn1 521364849 VZWCBSNTPMLZIT-UHFFFAOYSA-N 291.420 3.583 30 20 CHED Cc1cocc1C(=O)Nc1cccc(OCCCC#N)c1 528057085 LUCGUJXCRZNTIS-UHFFFAOYSA-N 284.315 3.523 30 20 CHED CCc1ccc(C(C)(C)NC(=O)c2ccc(C#N)cc2)cc1 434251315 VOJOGCNJGHPNEO-UHFFFAOYSA-N 292.382 3.786 30 20 CHED Cc1ccc(O[C@@H](C)CNc2snc(C)c2C#N)cc1 342289983 CVLRDGYXMSDSLN-NSHDSACASA-N 287.388 3.511 30 20 CHED Cc1ccccc1C1(C(=O)N2CC(C)(C#N)C2)CCCCC1 435929088 IFEYVBUHEQFMKK-UHFFFAOYSA-N 296.414 3.569 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)c1cccs1 346912024 DEMKAWVYMGLNCX-NSHDSACASA-N 299.399 3.794 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 343054431 OVGYIOCNURYCQZ-GDBMZVCRSA-N 281.334 3.841 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1c1nc(-c2cccc3[nH]ccc23)no1 346024628 LRVYIURSZUMFSD-DZGCQCFKSA-N 295.342 3.667 30 20 CHED C=CCCN(C)C(=O)Nc1nc2c(F)c(F)ccc2s1 341955662 YVRCEPFKFIHMKY-UHFFFAOYSA-N 297.330 3.614 30 20 CHED C=CCCCCN[C@@H](CC)c1ccc2c(c1)OCCO2 349427410 XPQQPTPDOGMJFN-HNNXBMFYSA-N 275.392 3.855 30 20 CHED Cc1c(C#N)cccc1-c1nc([C@H]2C[C@H]3CC[C@H]2C3)no1 345918467 AYTFYBXVAFPSGO-HUBLWGQQSA-N 279.343 3.820 30 20 CHED N#CC1(F)CCN(c2ccnc3ccc(Cl)cc23)CC1 343227170 TXJVDTQIJBDWNW-UHFFFAOYSA-N 289.741 3.720 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(Cl)cc1Cl 538193316 BPSTXFRFZUFOKC-GHMZBOCLSA-N 288.218 3.829 30 20 CHED CC[C@H](C#N)Sc1nccn1-c1ccc(C)cc1C 436053216 PDTFZINTYFCRQI-CYBMUJFWSA-N 271.389 3.883 30 20 CHED N#Cc1cnccc1/C=C\c1cc(Cl)ccc1F 349105155 GACGOADEAFQPCP-UPHRSURJSA-N 258.683 3.916 30 20 CHED Cc1cccc(C)c1OCCON=Cc1cccs1 250991400 BZLBIVZVJFFLLA-UHFFFAOYSA-N 275.373 3.794 30 20 CHED C=C1CCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1 342109145 URZFBWKFPJUEIY-UHFFFAOYSA-N 277.367 3.731 30 20 CHED C=CC(C)(C)CNCc1ccccc1OCc1ccccn1 449483834 CPDBYWGTXGVGTP-UHFFFAOYSA-N 296.414 3.962 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc(F)c2F)c1 523257491 XLSPDUFENWFSDT-UHFFFAOYSA-N 289.281 3.782 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)CC(C)(C)c1ccccc1 540604973 BFJSBYIHXCMSKI-HZPDHXFCSA-N 275.436 3.517 30 20 CHED C=CC[C@@H](C)[C@H](C)NCCc1ccc2[nH]ccc2c1 442806664 CNRWHVYEAZHQSC-KGLIPLIRSA-N 256.393 3.901 30 20 CHED Cn1cc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)cn1 255048535 DWZMBBPRSMOMCK-IHWYPQMZSA-N 281.142 3.623 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 449911740 CINDMWZOCDCIJG-LOWVWBTDSA-N 290.329 3.554 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@@H](OCC)C23CCCC3)CC1 356267491 REBPLYZROLQENX-HUUCEWRRSA-N 291.435 3.587 30 20 CHED Cc1cc(C)cc(-c2nnc(S[C@@H](C#N)C3CC3)o2)c1 601072819 UOZOGTCNNHEGQJ-ZDUSSCGKSA-N 285.372 3.748 30 20 CHED C=CCOCCCS[C@H](C)c1cccc(C#N)c1 359157768 UYBCAEGNQHLNCF-CYBMUJFWSA-N 261.390 3.945 30 20 CHED C[C@@H](CCC#N)CNCCc1ccccc1Br 602529418 BHAOEHFNUFOTRB-LBPRGKRZSA-N 295.224 3.521 30 20 CHED C=CCCOCCNCc1cccc2c(OC)cccc12 449213507 WMZMOUIGOLGZBQ-UHFFFAOYSA-N 285.387 3.531 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCc2cc(F)c(F)c(F)c21 602684562 OVNNTTGLOFFTJC-BXKDBHETSA-N 282.309 3.621 30 20 CHED N#CCCN(CC1CC1)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 352575965 FDHILEICURIXHG-BRWVUGGUSA-N 288.435 3.745 30 20 CHED CN(C(=O)CCc1ccc(Cl)cc1)c1ccc(C#N)cc1 359734183 YJUPSZLQIVFICH-UHFFFAOYSA-N 298.773 3.807 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)ccc1OC 538329139 IYZGQQIZXLNOIJ-NSHDSACASA-N 281.783 3.823 30 20 CHED C=CCSCCN[C@H](CC)c1ccc(F)cc1F 358020151 LSMLUEQQOWREBA-CQSZACIVSA-N 271.376 3.925 30 20 CHED CCCC(CCC)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618783221 WGZCOUJJDFCVAN-QGZVFWFLSA-N 284.403 3.878 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H](C)c2ccccc2)C1 617788498 KGDJLMBRAJRURZ-HOTGVXAUSA-N 271.404 3.995 30 20 CHED Cc1nc(S[C@@H](C)c2ccc(C#N)cc2)nc(O)c1C 538516861 UHCNTUGWLWYWCH-NSHDSACASA-N 285.372 3.524 30 20 CHED CC[C@@H](N[C@H](C)CN1CCCCCC1)c1ccc(C#N)cc1 447609339 XWXSEWGTEBETRA-VQIMIIECSA-N 299.462 3.863 30 20 CHED C=CC(C)(C)CN[C@@H](C)CC(=O)Nc1ccc(C)cc1C 449485503 NGRWZAWDLJFOPG-HNNXBMFYSA-N 288.435 3.822 30 20 CHED C=C(C)COCCNC[C@H](CCC)c1ccccc1 539560594 UFWNYYAPOHIYIY-KRWDZBQOSA-N 261.409 3.753 30 20 CHED C=C(CC)CSc1nnc(-c2ccoc2C)o1 358553222 DZGMDKCNRNPXJG-UHFFFAOYSA-N 250.323 3.696 30 20 CHED CC[C@@H](NCCc1ccccc1OC)c1ccc(C#N)cc1 447507956 JOYBTRGJWHIUOE-GOSISDBHSA-N 294.398 3.850 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@H](c1ccccc1)C1CC1 350110357 FPVVNVYTNYVCMB-MRXNPFEDSA-N 299.418 3.767 30 20 CHED C[C@H]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 444881602 UPWTXIOVVZHNHM-ONGXEEELSA-N 277.755 3.522 30 20 CHED C[C@@H](c1ccc2c(c1)CCC2)N1CCC[C@@](C)(C#N)C1 614963384 AZZWYGXAQALGLP-KSSFIOAISA-N 268.404 3.862 30 20 CHED CC(C)CC1(C)CCN(C(=O)c2ccc(C#N)cc2)CC1 356418217 BIEVRXCGVQZXIJ-UHFFFAOYSA-N 284.403 3.847 30 20 CHED CC(C)(C#N)CCN1CCC[C@](C)(c2ccccc2)C1 534218241 UYSWCLLYFLSKAH-SFHVURJKSA-N 270.420 3.980 30 20 CHED C=CCCC1(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)CC1 456355818 XCVMVXJCOZYFOI-CABCVRRESA-N 263.425 3.872 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(SC)c1C 455062400 LNRDSNWUEYNYLL-UHFFFAOYSA-N 264.394 3.805 30 20 CHED C[C@]1(C#N)CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 612371233 ZMYULUKDKIGHFF-GOSISDBHSA-N 296.414 3.651 30 20 CHED Cc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610317177 BYQCXAOJUSPKPP-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED Cc1cc(Cl)cc2c1N(CC1(C#N)CC1)CCC2 537251726 AIJWQXOGQWCKKF-UHFFFAOYSA-N 260.768 3.705 30 20 CHED CCCCCCCCNC(=O)c1c(C)nn(CC)c1Cl 269929120 FCXCNVIARIOXRP-UHFFFAOYSA-N 299.846 3.955 30 20 CHED CC(C)CN(C(=O)[C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 538463647 BOBHLCWWPVHKOY-ZBFHGGJFSA-N 284.403 3.983 30 20 CHED CC1(CNC(=O)c2cc(C#N)cs2)CCCCCC1 538442624 BGRJGRDZHKATQF-UHFFFAOYSA-N 276.405 3.710 30 20 CHED C=C[C@H](C)NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 362626741 JPNYYFSQRZAKRC-IHRRRGAJSA-N 257.377 3.667 30 20 CHED Cc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c(C)n1 618807313 XUQHNPNKULTMRP-AUUYWEPGSA-N 291.398 3.908 30 20 CHED Cc1ccc2sc(C(=O)Nc3ccncc3C#N)cc2c1 361855023 NCUMXZMDJSFZKM-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@@H]1CC12CCC2 610739129 AOQJITWXJPUWLU-LBPRGKRZSA-N 286.400 3.821 30 20 CHED C=CCC1(NC(=O)Cc2ccc(F)c(F)c2)CCCC1 619108418 VLUXEOJBAKIKDS-UHFFFAOYSA-N 279.330 3.512 30 20 CHED C=CC(C)(C)CNC(=O)Cc1cccc2ccc(OC)cc12 452774061 JXFWOTDHTOVEIW-UHFFFAOYSA-N 297.398 3.719 30 20 CHED C=CCC(C)(C)CNC(=O)N(C1CC1)[C@@H](C)C(C)C 458810687 NHQPKKKIULYTGW-ZDUSSCGKSA-N 266.429 3.807 30 20 CHED C=CCN(C(=O)Nc1cccc(CSC)c1)C1CC1 540127383 LLHBOVVTJBWKFV-UHFFFAOYSA-N 276.405 3.732 30 20 CHED Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3cc(C#N)ccc32)c1 618694384 AQMHATPVJDFPHR-HNNXBMFYSA-N 293.326 3.874 30 20 CHED Cc1ccnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)c1C#N 361629033 XLZWQCQGXBAKBU-NSHDSACASA-N 299.324 3.664 30 20 CHED CC(C)N(Cc1cccc(Cl)c1)C(=O)CCCC#N 361473083 HOTWMVQQFGOTQX-UHFFFAOYSA-N 278.783 3.771 30 20 CHED CC[C@H](C)Oc1ccc(-c2noc([C@@]3(C#N)C[C@@H]3C)n2)cc1 453105738 CINXFVFMVFITGM-NVGCLXPQSA-N 297.358 3.715 30 20 CHED C#CC[C@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccccc1 270226446 HWGXGTKFPSDJAR-KSSFIOAISA-N 296.414 3.724 30 20 CHED CC(C)(C)CCCCC(=O)NCC(C)(C)CC#N 458045536 TZGPIBSUHBHRRE-UHFFFAOYSA-N 252.402 3.649 30 20 CHED C=C(C)CCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 452722464 JZIYEZVHXBHFNA-KBPBESRZSA-N 263.768 3.526 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Br)cc(OC)c1 450318933 KUSGIPAXWFXPPI-UHFFFAOYSA-N 298.180 3.608 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(Cl)c1 274417912 IJFIQKOWNBRVOL-JBLDHEPKSA-N 266.747 3.822 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1ccc(C)cc1 455316890 WHQMYANMPBGXKP-MRXNPFEDSA-N 272.392 3.808 30 20 CHED C=CCCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 360187822 MYFWRECADPLTOR-ZDUSSCGKSA-N 284.359 3.500 30 20 CHED CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C 459774164 VUANYKDTOVRYKL-ZIAGYGMSSA-N 292.448 3.692 30 20 CHED Cc1nnc(SCCCCC(F)(F)F)c(C#N)c1C 272774151 QNWGQQSGBDKMKM-UHFFFAOYSA-N 289.326 3.790 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C 456317747 FLEMFJHSQIZRJE-CVEARBPZSA-N 263.425 3.894 30 20 CHED CCCCSc1nnc(SCC2(C#N)CC2)s1 540859157 IQJMUNZNOCYGEW-UHFFFAOYSA-N 285.463 3.826 30 20 CHED C=CCCOCC(=O)Nc1ccc(OC2CCCC2)cc1 620184803 VGVKQRTWAUFGHU-UHFFFAOYSA-N 289.375 3.539 30 20 CHED C=CCOCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 549929663 KPKRQYRAKKJCEK-UHOFOFEASA-N 279.811 3.829 30 20 CHED C=CCCCN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273420735 JQKOLJLCBHYDQU-IAGOWNOFSA-N 277.383 3.944 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1ccccc1OC(F)F 272049175 SZTXQLBZBAIQAD-LLVKDONJSA-N 282.334 3.878 30 20 CHED COc1ccccc1CCN[C@H](C)c1ccc(C#N)c(F)c1 271960215 UBCOHTTXPIQYAJ-CYBMUJFWSA-N 298.361 3.599 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](c2ccccc2OC)C1 275967155 JFJCJUKIHALDGS-KSSFIOAISA-N 287.403 3.613 30 20 CHED CC(C)Oc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 274217525 PDHFOMIBESTXQX-JKSUJKDBSA-N 272.392 3.646 30 20 CHED C[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 279765169 ZKKXMTIKYAKQBN-CYBMUJFWSA-N 270.376 3.502 30 20 CHED CC[C@@H](N[C@@H](C)CCC#N)c1cc(F)ccc1F 276273837 DMABNQOASYEDOJ-IINYFYTJSA-N 252.308 3.698 30 20 CHED N#Cc1ccc(SCc2csc(C3CC3)n2)nc1 270278430 LQFIRXHIHLJREE-UHFFFAOYSA-N 273.386 3.579 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 376098187 AJWQEEXDUOLBMB-JLJPHGGASA-N 288.366 3.518 30 20 CHED C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)c1cccc(C#N)c1 463070570 OOPPKVCZUJGIRI-KBPBESRZSA-N 290.366 3.640 30 20 CHED Cc1cnn(C)c1/C=C1\C(=O)c2ccccc2[C@H]1C(C)C 284915954 BPIQXIOMNICDQV-BAPRJRNISA-N 280.371 3.748 30 20 CHED CC[C@@H](Nc1ccc(C#N)cn1)c1ccc(OC)c(OC)c1 286228728 DLIIUQSJPNDBDE-CQSZACIVSA-N 297.358 3.534 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC[C@](C)(CCc2ccccc2)C1 287258881 BYSGOIVJDNBFBM-OALUTQOASA-N 298.430 3.798 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1cc(F)ccc1C#N 469098123 XAAZAOVIUCMFDV-OLZOCXBDSA-N 260.356 3.708 30 20 CHED N#CCC[C@@H](N[C@H]1CCC12CCOCC2)c1ccccc1 377121707 XKPUHPSURSFXNA-SJORKVTESA-N 284.403 3.580 30 20 CHED C=CCNC(=O)c1c(F)cccc1Sc1ccccc1 464471842 NIPJLTCIRZMVGW-UHFFFAOYSA-N 287.359 3.893 30 20 CHED N#Cc1cccc(NC(=O)CCCC2CCCC2)c1 463244474 XCTHSECHQYJXJG-UHFFFAOYSA-N 256.349 3.857 30 20 CHED C=CCNC(=O)[C@@H](C)SC/C=C\c1ccc(Cl)cc1 468649850 DZVLCTBWHASXOS-QMAVJUDZSA-N 295.835 3.777 30 20 CHED Cc1nn(C(C)C)cc1/C=C1\Cc2c(F)cccc2C1=O 280947745 IVUMXVKHJDVICH-KPKJPENVSA-N 284.334 3.734 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)C[C@H](C)CC 463894743 IKIWYESXUBMZBS-ZIAGYGMSSA-N 275.392 3.806 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC[C@@H]1COCC 474726649 GEHYQWSVANXQFC-SJORKVTESA-N 289.419 3.546 30 20 CHED C=CCCCCN[C@H](C)CC(=O)Nc1ccccc1CC 471593762 NJBOKXYXTWOBGJ-OAHLLOKOSA-N 288.435 3.912 30 20 CHED CC#CC(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 801148952 AKQNXIKWMBDEMK-UHFFFAOYSA-N 297.379 3.808 30 20 CHED N#C[C@@H]1CC[C@@H](NC[C@H]2CCCC[C@H]2C(F)(F)F)C1 558243307 ALSYECDRNZTZNO-FDYHWXHSSA-N 274.330 3.637 30 20 CHED C=CCCC1(C(=O)Nc2cccc(C(=O)OCC)c2)CC1 474290404 NYYRZZBLGIJLJF-UHFFFAOYSA-N 287.359 3.548 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc([C@H]2CCOC2)cc1 297400234 NFQWMUFRSRHWMS-HNNXBMFYSA-N 288.391 3.620 30 20 CHED Cc1nc(-c2ccccc2)sc1[C@H](C)NCCC#N 298890163 LDEFVIDFGDFBMT-NSHDSACASA-N 271.389 3.683 30 20 CHED CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C1CCCC1 382847532 DVSRQCBDLRMRBJ-AWEZNQCLSA-N 292.329 3.535 30 20 CHED CCCC[C@@H](CCC)NC(=O)NCc1ccc(C#N)cc1 475065960 UBCNCAZRAFHLRC-MRXNPFEDSA-N 287.407 3.716 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](C)C(C)C)CCCC1(C)C 470303824 RYGUMJGAKVZVAV-UONOGXRCSA-N 251.414 3.872 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 477774400 KJUDXHKZCVPVHG-SSDOTTSWSA-N 283.158 3.779 30 20 CHED Cc1cccc2c1OC[C@H](N[C@H](C)c1ccc(C#N)cc1)C2 564428572 XXUNDNKZWJEFDM-RDTXWAMCSA-N 292.382 3.521 30 20 CHED C[C@@H](CCC1CC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 476730411 SYCQXHKVWPZLBU-ZDUSSCGKSA-N 284.403 3.796 30 20 CHED Cc1ccc2ncc(C#N)c(OCCC(F)(F)F)c2c1 291652237 NUMDSRSCWLJKFV-UHFFFAOYSA-N 280.249 3.746 30 20 CHED CCc1ccc(C(=O)N[C@H](C#N)c2ccc(CC)cc2)cc1 569645497 HRMHZXSJWWIEKT-GOSISDBHSA-N 292.382 3.806 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1ccccc1 473410855 FASCNUSZUNHJMO-UONOGXRCSA-N 293.370 3.872 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC1(CC(C)C)CCC1 473862619 GKQFQSDCTGMJSQ-MRXNPFEDSA-N 281.440 3.548 30 20 CHED C#C[C@H](N[C@H]1CCC[C@@H](OC)C1)c1ccc(Cl)cc1F 809698722 FWQGEBYHSSYXSS-ZENOOKHLSA-N 295.785 3.701 30 20 CHED N#Cc1cccc(Oc2ccc(Nc3cccnn3)cc2)c1 561191507 DLHFESXTRFQMSQ-UHFFFAOYSA-N 288.310 3.884 30 20 CHED C=CCOCc1nc([C@H](c2ccc(C)cc2)C(C)C)no1 564280870 RMYPXOKGVIUSCA-INIZCTEOSA-N 286.375 3.869 30 20 CHED C=CCCCCCCN[C@@H](C)c1cccc(CO)c1 806167669 DMQNTYSOQYSYIC-HNNXBMFYSA-N 261.409 3.966 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 471680457 UIEVKLAIRCAWRL-ZIAGYGMSSA-N 277.795 3.916 30 20 CHED CC(=NN[C@H]1CCSC1)c1cc(Cl)ccc1Cl 808002717 OMDGUHGIHOOCKV-JTQLQIEISA-N 289.231 3.813 30 20 CHED CCC1(C(=O)OCCCSCC#N)CCCCC1 805530205 MFRPJMOBSYJQNU-UHFFFAOYSA-N 269.410 3.537 30 20 CHED COc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1C 806580066 ZQAVBAADRBSLSE-WQLSENKSSA-N 299.757 3.874 30 20 CHED Cc1cc(NCCc2c[nH]c3c(C)cccc23)cc(C#N)n1 561211411 XONRUSAVUPAHFL-UHFFFAOYSA-N 290.370 3.706 30 20 CHED C/C(C=NNCC(F)F)=C\c1ccccc1OC(F)F 811643204 XKAZYUXDJUKDGQ-MVHURUJQSA-N 290.260 3.532 30 20 CHED COCc1ccccc1/C=C(\C)C=NOCc1cccnc1 814225145 QCIVWUZMDOIEPY-PGBPWSFFSA-N 296.370 3.834 30 20 CHED N#CCCC1CCN(Cc2ccnc3ccccc23)CC1 399381653 ZVJJCEWGZVBZII-UHFFFAOYSA-N 279.387 3.751 30 20 CHED OCCC[C@@H]1CCCCC1=NNCCCc1ccccc1 814837746 JGKAIUAIWMIQBF-KRWDZBQOSA-N 288.435 3.528 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)c1ccc(F)c(F)c1 489800337 LTLICIULCLIFQE-NSHDSACASA-N 281.346 3.787 30 20 CHED CC[C@H](C)NN=C1CC[C@@H](c2ccccc2)C[C@@H]1OC 814912960 DMQDYISUOOYPAN-LXZKKBNFSA-N 274.408 3.713 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@@H](C)[C@@H](C)C3)c2c1 488090128 OHZVYXRYVOSHKT-BETUJISGSA-N 265.360 3.507 30 20 CHED C(=NOC1CCC1)c1ccccc1OCc1ccccn1 812235584 YKCZQTORAHVYSH-UHFFFAOYSA-N 282.343 3.564 30 20 CHED COC(=O)c1c(F)cccc1NN=C1CC[C@@H]1C1CCC1 814923720 XPJQXGXWFHPLHH-LLVKDONJSA-N 290.338 3.590 30 20 CHED Cc1ccc(NN=Cc2ccc3ccc(F)c(F)c3n2)nc1 814831855 UFRLKLCBWYQKLZ-UHFFFAOYSA-N 298.296 3.662 30 20 CHED C=CCCC1(c2nc(COc3ccccc3)no2)CC1 574195853 QASYOEFVEIEBKA-UHFFFAOYSA-N 270.332 3.646 30 20 CHED C=CCN(CCc1ccco1)c1nc2ccccc2o1 486632761 RJTVEAZJNONZOW-UHFFFAOYSA-N 268.316 3.656 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N(C)C1(C#N)CCC1 489731969 CCQFKIOAORTVMA-LSDHHAIUSA-N 296.414 3.881 30 20 CHED C=CCC1(c2nc(-c3ncoc3C)no2)CCCCC1 571376199 RNLZCXLSYWRXFS-UHFFFAOYSA-N 273.336 3.811 30 20 CHED CCC(=NNc1cccc(C)c1)c1cccc(N)c1 814687456 JMUFSPDTUDQAOZ-UHFFFAOYSA-N 253.349 3.803 30 20 CHED Cc1ccc(F)c(NN=C2CCc3ccc(C#N)cc32)c1 811644824 MQIZPDOPABLTOR-UHFFFAOYSA-N 279.318 3.768 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1ccc(C)c(C)c1O 728155149 DIHRUCPMHFNMKR-UHFFFAOYSA-N 294.358 3.721 30 20 CHED CCc1cccc(NC(=O)N2CCC(CC#N)CC2)c1CC 576803745 LAHUFDKQOMRHOB-UHFFFAOYSA-N 299.418 3.969 30 20 CHED C#CCCOc1ccc(C(=O)N(CC)C[C@@H](C)CC)cc1 826639649 YVRIQRLDJFAIIJ-HNNXBMFYSA-N 287.403 3.597 30 20 CHED CCC1(NCc2ccc(O[C@H](C)C#N)cc2)CCCC1 824651383 ZNUYDSWZJHKRNZ-CQSZACIVSA-N 272.392 3.790 30 20 CHED C#Cc1cccc(NC(=S)N(CC)[C@@H](C)C(C)C)c1 726482321 HTWFUOVLXFACDN-ZDUSSCGKSA-N 274.433 3.731 30 20 CHED CCC[C@@H](C#N)NC(=O)c1csc(C2CCCCC2)n1 577707840 YPOGMLAERVMQCK-LBPRGKRZSA-N 291.420 3.613 30 20 CHED C=CCCOC(=O)C(C)(C)c1ccc(Br)cc1 729072390 KUPOBNXJAICQSF-UHFFFAOYSA-N 297.192 3.846 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc(Cl)cc2cccnc12 578748601 OLRIMTOHMZKOAJ-UHFFFAOYSA-N 287.750 3.767 30 20 CHED Cc1cccc(C)c1NC(=S)NN=C1CCC[C@@H]1C 729140426 GPAJLLLLZQFFCH-JTQLQIEISA-N 275.421 3.766 30 20 CHED CC(C)(C)c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 571387683 XTGDZQMGOANRQZ-QWHCGFSZSA-N 267.332 3.510 30 20 CHED C=C(C)CNC(=O)Nc1cc(C)c(Br)c(C)c1 494855417 DNQYFCITFMICAH-UHFFFAOYSA-N 297.196 3.764 30 20 CHED CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1 903010395 LEHSEFYEFPCLOM-VBNZEHGJSA-N 280.375 3.501 30 20 CHED C=CCC1(NC(=O)NCc2ccc(F)cc2)CCCC1 663413924 RBJPXHDPMPWJDI-UHFFFAOYSA-N 276.355 3.514 30 20 CHED CC(C)(C)CN(CCC#N)Cn1ccc(-c2ccccc2)n1 731660166 DKRDMGAWDDLICQ-UHFFFAOYSA-N 296.418 3.769 30 20 CHED CCCC[C@H](CCC)N[C@@H](C(=O)O)c1ccc(C#N)cc1 829287148 ZGTFTGQMARXXMH-JKSUJKDBSA-N 288.391 3.632 30 20 CHED C=CC1CCN(Cc2ccc3oc(C(=O)O)cc3c2)CC1 582551564 JJHXQUVWPWHTPI-UHFFFAOYSA-N 285.343 3.529 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc(C(=O)O)c1 666576175 YHGZTWIXRORJEK-CYBMUJFWSA-N 261.365 3.609 30 20 CHED Cc1cccc([C@@H](C)/N=C/c2cccc(O)c2O)c1C 734366161 GQZRHQOUTZXEHW-HVOBPNNYSA-N 269.344 3.895 30 20 CHED C=CCCNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 661571631 ZBACCTQGNWIHSC-CQSZACIVSA-N 278.783 3.763 30 20 CHED C=CCN(CCc1ccccc1)[C@@H](C)c1ccccn1 584710901 HPOFYWGJQROTLH-INIZCTEOSA-N 266.388 3.873 30 20 CHED N#Cc1cccc(CC(=O)OCCCCC2(C#N)CCC2)c1 909052138 PQNQCAHQGKQLKZ-UHFFFAOYSA-N 296.370 3.508 30 20 CHED COc1cc(C#N)ccc1-c1nc([C@@H](C)C(C)(C)C)no1 904009501 XBCYOVXJNSUWIZ-SNVBAGLBSA-N 285.347 3.766 30 20 CHED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C#CC1CC1 837451905 NPSZIKFROVKOOZ-QWHCGFSZSA-N 289.806 3.704 30 20 CHED CC[C@H](C)[C@H]1CCCCN1Cc1ccc(OCC#N)cc1 738313868 LIEVXGGHAUGZIM-MAUKXSAKSA-N 286.419 3.990 30 20 CHED CC(C)(C)OC(=O)NC[C@@H]1CCC(=NOC2CCCC2)C1 901209907 CCZRROMCMNRXFE-GFCCVEGCSA-N 296.411 3.626 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cnn([C@H](C)CC)c1C1CC1 839038773 ZDWUDXWHGALATG-CHWSQXEVSA-N 288.391 3.690 30 20 CHED O=C(/C=C\c1nccn1-c1ccccc1)c1ccsc1 588578456 GJDWPFSVNUOILR-SREVYHEPSA-N 280.352 3.830 30 20 CHED N#Cc1cnccc1/C=C\c1ccc2cnccc2c1 585818723 HKEPTSKQEAORKS-IWQZZHSRSA-N 257.296 3.672 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C=C\C1CCCCC1 735426063 NFSQOFGOFUWBSM-LUAWRHEFSA-N 299.370 3.999 30 20 CHED C=CCCC[C@@H](NCc1ccc(Cl)cc1C)C(=O)O 900068610 LSBNQLUITPBYRS-CQSZACIVSA-N 281.783 3.548 30 20 CHED C[C@H]1CC(=NNc2ccc(C#N)cc2C(F)(F)F)[C@H](C)O1 834977196 RHJXYHSKEDKHLP-IUCAKERBSA-N 297.280 3.542 30 20 CHED CCC(=NNc1ccc(F)cn1)c1ccc(C)cc1 731321815 PRRXCZDMLVUJSJ-UHFFFAOYSA-N 257.312 3.755 30 20 CHED CC(C)N(C)c1cccc(NC(=O)CCCCCC#N)c1 588358254 RDUXEDYKMVEHAN-UHFFFAOYSA-N 287.407 3.944 30 20 CHED CCCc1cccc(/C=C2\CCn3ccnc3C2=O)c1 901533650 DVKGHSJCLISEBG-NTCAYCPXSA-N 266.344 3.506 30 20 CHED C#CCOc1cccc(NC(=O)CCSCCCC)c1 739565337 WQUZZLDCMDHTNV-UHFFFAOYSA-N 291.416 3.561 30 20 CHED CC(=O)c1ccccc1OCC#Cc1cccc(Cl)c1 676487752 ULRCCQRMCILUGO-UHFFFAOYSA-N 284.742 3.973 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)CC(C)(C)C#N 584014841 FBUHDHAUGCQOFZ-QWHCGFSZSA-N 264.413 3.599 30 20 CHED C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 912345528 WFWCPFLYOCPACR-SWLSCSKDSA-N 294.826 3.543 30 20 CHED CC(C)C#CC(=O)N1CC=C(c2ccccc2Cl)CC1 831555201 JXSXOXGJVFCXPK-UHFFFAOYSA-N 287.790 3.615 30 20 CHED C=CCC1(C(=O)OCC2CC(F)(F)C2)CCCC1 835484652 CRPDJCJDNKROIM-UHFFFAOYSA-N 258.308 3.711 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@H](CC#N)C1 597906218 LFFBMQNZKGXKKD-FUHWJXTLSA-N 298.430 3.798 30 20 CHED C#CCC[C@@H](C)OC(=O)Cc1cccc(C(F)(F)F)c1 839032424 OWMVOJMCYMOREZ-LLVKDONJSA-N 284.277 3.593 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 596633262 BEGFBGPUKGZJBH-KGLIPLIRSA-N 262.397 3.545 30 20 CHED C=C1CCN(Cc2cc(-c3ccc(OC)cc3)no2)CC1 594733964 JEWDMRGREVDDOQ-UHFFFAOYSA-N 284.359 3.502 30 20 CHED N#CC1(COC(=O)c2ccc(C(F)F)nc2)CCCCC1 847675848 DKFDPAWIIKSDAN-UHFFFAOYSA-N 294.301 3.650 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](C)c1csc2ccccc12 845636199 MLYJGKMOZHSCAB-GHMZBOCLSA-N 290.388 3.768 30 20 CHED C#C[C@H](OC(=O)C[C@H](C)c1c(C)noc1C)c1ccccc1 842366089 XPNAPAFQAQAKSI-LRDDRELGSA-N 297.354 3.703 30 20 CHED CCCCCCCCCNC(=O)c1cnc(C)s1 748706563 ZJZMDWCUONITEO-UHFFFAOYSA-N 268.426 3.932 30 20 CHED CC(C)(C)c1cccc(C(=O)N2CCC[C@](C)(C#N)C2)c1 594340058 YDPXCYURQWJTTR-GOSISDBHSA-N 284.403 3.750 30 20 CHED N#CC1(COC(=O)c2ccc3ccncc3c2)CCCCC1 845507876 FHTKDIXXQIODIN-UHFFFAOYSA-N 294.354 3.866 30 20 CHED N#CCC[C@H](NC(=O)NC1(C2CCC2)CC1)c1ccccc1 593381794 DGUTXOIAIUEDOU-INIZCTEOSA-N 297.402 3.663 30 20 CHED C=CCCSCCNC(=O)Nc1c(C)cccc1C 596635000 UWXVRTHCGRWUEU-UHFFFAOYSA-N 278.421 3.734 30 20 CHED CSc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 595611568 LGAPCKBLCUDSJB-ZDUSSCGKSA-N 260.406 3.534 30 20 CHED Cc1ccc(CN(CCOCCC#N)C(C)(C)C)cc1 599527029 BCJPPAKWUOVPJG-UHFFFAOYSA-N 274.408 3.526 30 20 CHED C[C@H]1CC(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H](C)C1 841224322 KXQZOCMWBGHOMP-HTQZYQBOSA-N 297.811 3.679 30 20 CHED Cc1ccc(NC(=S)NN=C2CCc3ccccc32)cc1 915923404 PPEFZROLEABWNL-UHFFFAOYSA-N 295.411 3.632 30 20 CHED C=C(Cl)CNC(=O)N(C)CC(C)(C)c1ccc(C)cc1 743621190 XMOOPBCBUBXDLT-UHFFFAOYSA-N 294.826 3.667 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)[C@H](C)Cc1ccc(C#N)cc1 594002345 NJDWYFGLPOFRBY-JKIFEVAISA-N 284.403 3.526 30 20 CHED C#C[C@H](OC(=O)CCCC(=O)C(C)(C)C)c1ccccc1 842363410 IEUCBCQYYPTBBT-HNNXBMFYSA-N 286.371 3.690 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1NC1CCC(C)(C#N)CC1 593660493 HMNMHBISIPOBHB-FFDQMNFHSA-N 268.404 3.913 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(O)cc2)s1 747200325 CIWKFMVGBNEYMQ-UITAMQMPSA-N 258.342 3.912 30 20 CHED Oc1cccc(/C=N\C[C@H]2SCCc3ccccc32)c1O 749845905 UXDYXUWKCNMBKX-LTKMBJGESA-N 299.395 3.547 30 20 CHED C[C@H](NN=Cc1ccc(-n2cccn2)cc1)c1ccccc1 920382229 DXBADPDYZSBJEG-HNNXBMFYSA-N 290.370 3.557 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cnn(CC)c2)c(C)c1 849245388 INMDENIZYWNKEF-VQHVLOKHSA-N 284.359 3.506 30 20 CHED CSc1ccc(C(=O)/C=C\c2c(C)n[nH]c2C)cc1F 741846299 CLDQQFFHUYJEIN-WAYWQWQTSA-N 290.363 3.784 30 20 CHED C=C[C@@H](CC(=O)OCc1nc(C)oc1C)c1ccccc1 841339038 OYHKRGNZKYCTFA-AWEZNQCLSA-N 285.343 3.695 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2ccc(O)cc2O)c1 757471323 AZRLDFCEWNXOBY-TWGQIWQCSA-N 296.322 3.559 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(F)ccc2O)s1 757467771 KTFUNJPYYKZSGB-FNORWQNLSA-N 262.305 3.797 30 20 CHED Cc1ccccc1C1CC(=NO[C@@H]2CCCCO2)C1 755823702 NNQYZWQLJIUBEJ-FQNRMIAFSA-N 259.349 3.772 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(COC)cs1 853285838 YGFRQJPBHNPOEC-UHFFFAOYSA-N 299.399 3.689 30 20 CHED C=CCC1(NC(=O)CCc2cccnc2Cl)CCCC1 855928456 QMFLSKKSFHMJNJ-UHFFFAOYSA-N 292.810 3.673 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ncc(C(F)(F)F)cc1Cl 925265503 ZTFGWZWHDMQNHM-SFYZADRCSA-N 278.705 3.979 30 20 CHED COc1cccc(C(C)=NNc2cccc(F)c2)c1 920383315 DMYKCIFVGKUAAM-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc(-c2ccccc2C)no1 683792896 FSTKTECIKAJGRM-CQSZACIVSA-N 283.375 3.586 30 20 CHED C[C@H](NN=Cc1ccc2ncccc2c1)c1ccccc1 920385403 CDJXGHQGZXBIJR-AWEZNQCLSA-N 275.355 3.920 30 20 CHED CC(C)c1cccc(C=NN[C@H](C)c2ccncc2)c1 853359244 KYVNJCHGUPUDOI-CQSZACIVSA-N 267.376 3.890 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)OCc1ccc(C#N)cc1 920731417 WCLQWPVEQNUOLT-XJKSGUPXSA-N 271.360 3.818 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1ccc2cc[nH]c2c1 759353085 CTGLTDBKMMMBGP-UHFFFAOYSA-N 294.285 3.536 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cc(Cl)cs2)n1 759422199 TZXVSIWIICIIOR-MRVPVSSYSA-N 282.777 3.657 30 20 CHED C#CCCCCCc1nc([C@@H](C)c2ccco2)no1 857088745 XETFCXKGQMWQKF-LBPRGKRZSA-N 258.321 3.551 30 20 CHED CC(=O)c1ccc(OC(=O)CC2(C#N)CCCCC2)cc1 850744003 LMGITWVBPDAFJG-UHFFFAOYSA-N 285.343 3.659 30 20 CHED Cn1cc(C=NNc2ccccc2F)c2ccccc21 755627692 CQMFQTROYYFOLV-UHFFFAOYSA-N 267.307 3.763 30 20 CHED C#CC[C@@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccccc1 757594228 AOJCUELGRWPERI-LJQANCHMSA-N 291.394 3.727 30 20 CHED CC(Cc1cccc(F)c1)=NNc1cnnc2ccccc12 759195934 KNDXMLHUMYIJRG-UHFFFAOYSA-N 294.333 3.799 30 20 CHED Cc1nc[nH]c1C=NNCc1ccc(-c2ccccc2)cc1 755764967 VFEYRECHIREPLW-UHFFFAOYSA-N 290.370 3.509 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(OCC#N)cc1 750938720 MZVPIRLUQLJKQI-UHFFFAOYSA-N 297.333 3.873 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2ccc(C#N)s2)c1 750712392 JYZQABDNTHSDIU-NSHDSACASA-N 271.341 3.846 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C\c1ccccc1C(F)(F)F 869739324 GKVQAVDJLOOEAP-TVRMLOFPSA-N 283.249 3.564 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl 767253598 CNDLMDKLOZZJGB-VHSXEESVSA-N 284.186 3.577 30 20 CHED C=C(C)CCc1noc(-c2ccc(COC)c(F)c2)n1 867005233 RCWCDUHYFVSBGR-UHFFFAOYSA-N 276.311 3.531 30 20 CHED CCn1nc(/C=C\C(=O)c2ccco2)c2ccccc21 769747227 XYGYDSVAFVKPNV-KTKRTIGZSA-N 266.300 3.545 30 20 CHED N#Cc1c(F)ccc(/C=C2/C(=O)Nc3ccccc32)c1Cl 761476025 PXFIDQVGFKQEID-YRNVUSSQSA-N 298.704 3.843 30 20 CHED CCCOc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1C 861626715 UKVQNAHHIYEBEC-ZDUSSCGKSA-N 289.379 3.550 30 20 CHED CCCCCCCS(=O)(=O)CC1CCCCC1 764516019 YYHHIKKYVFAGSY-UHFFFAOYSA-N 260.443 3.952 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CCSC1 762054249 CWEFLVPPUXJCLR-ZIAGYGMSSA-N 271.470 3.852 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2C(C)(C)C)cc1 769315839 WQRXSUAUYVUWDW-WMLDXEAASA-N 286.419 3.988 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cc1OC)[C@H](C)CC 932327465 XGXMTXLWNTXKGF-CYBMUJFWSA-N 288.391 3.608 30 20 CHED Clc1ccc(Cl)c(NN=CC[C@@H]2CCOC2)c1 765581500 QZIOMACUYWXWTL-SECBINFHSA-N 273.163 3.818 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)CCc2cccc3ccccc23)C1 868960687 NGUFCVZTDAAMCX-WMLDXEAASA-N 292.382 3.581 30 20 CHED Cc1ncc(CSc2cccc(F)c2C#N)s1 864048405 VUFQEYYXTODKJU-UHFFFAOYSA-N 264.350 3.755 30 20 CHED CC(=NNc1c(Cl)cc(F)cc1Cl)[C@@H]1CCOC1 767910416 UBZCYCNPEMLKAG-MRVPVSSYSA-N 291.153 3.957 30 20 CHED CCCCCCCCC(=O)OCC1(C#N)CCC1 768094493 DOIJLMGQBOEYEI-UHFFFAOYSA-N 251.370 3.974 30 20 CHED CS/C=C/C(=O)N1CCCSC1=Nc1ccccc1 764221824 FZXYLOFCSVUKMI-QDMIXUNLSA-N 292.429 3.516 30 20 CHED C#CCCCSCc1ccc(OC)c(Cl)c1 766739033 VJFDDDHNRJQLCU-UHFFFAOYSA-N 254.782 3.995 30 20 CHED FC(F)(F)[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 761049343 HDTOWABAMGJEQX-GFCCVEGCSA-N 287.712 3.576 30 20 CHED Cc1ccc(COC(=O)c2cccc(CC#N)c2)cc1F 766293469 RHQKMRLYTGDMGR-UHFFFAOYSA-N 283.302 3.557 30 20 CHED CC(=NNc1cnn(C)c1)c1ccc(SC(C)C)cc1 761867062 ARZWLWRQYMYOQN-UHFFFAOYSA-N 288.420 3.757 30 20 CHED C#C[C@H](CC)OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 768061307 JEUJEAXBXNHINR-OAHLLOKOSA-N 296.322 3.718 30 20 CHED C#CCC(C)(C)C(=O)OCc1cc(C)nc2ccccc12 767651003 ASUKWARIAQAGIJ-UHFFFAOYSA-N 281.355 3.636 30 20 CHED CC(C)[C@H]1CCCCC1=NNc1nc(O)c2ccccc2n1 764696668 PYJDTIRFQYIDFT-GFCCVEGCSA-N 298.390 3.950 30 20 CHED C=C[C@@](C)(CC)c1nnc(CCOc2ccccc2)o1 1118430899 ZCXQGETXKKOKDC-INIZCTEOSA-N 272.348 3.545 30 20 CHED CN1CCC(C=NNc2cc(Cl)ccc2Cl)CC1 872355470 VBHFHAHDGKBDLI-UHFFFAOYSA-N 286.206 3.733 30 20 CHED C=CCn1cnnc1S[C@H](CC)c1ccc(F)cc1 1116108212 BFNZXBHICNSYGG-CYBMUJFWSA-N 277.368 3.847 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1ccc2cc(O)ccc2c1 777467323 LAQNZSRSIGSTPX-LREOWRDNSA-N 293.297 3.976 30 20 CHED C[C@@H](Cc1ccccc1Cl)NC[C@H](C)CCC#N 876933506 REZPADOCMUFPFJ-OLZOCXBDSA-N 264.800 3.800 30 20 CHED C[C@H]1CCc2[nH]c3ccc(C(=O)OC[C@H](C)C#N)cc3c2C1 770945490 PPIXOAPMEIEGLQ-NWDGAFQWSA-N 296.370 3.609 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc(-c2ccccc2Cl)o1 770734032 QNYXLINBAIMCHW-JTQLQIEISA-N 289.718 3.916 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C(C)=C(/C)CC 779740039 ILGKNHUTKCRAHD-QXMHVHEDSA-N 273.332 3.609 30 20 CHED C#CCCCCC(=O)N(CC(C)C)c1cccc(OC)c1 773290756 BEKMKNXQQBAUOW-UHFFFAOYSA-N 287.403 3.878 30 20 CHED Cc1oc(C)c(C(=O)O[C@@H](C#N)C2CCCCC2)c1C 776369990 WMTRJGHMEMPHAT-AWEZNQCLSA-N 275.348 3.834 30 20 CHED CC/C(C)=C(/C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 779971767 YJOSUVZFINTQDP-HHQWOOOKSA-N 257.333 3.909 30 20 CHED C=CCCCOC(=O)c1ccc2nc(C)ccc2c1 773234786 ZJAYJIJWWRRIFG-UHFFFAOYSA-N 255.317 3.666 30 20 CHED CCOc1ccc(/C=C/C(=O)c2sccc2O)cc1 771745990 VKZTVEVJKGSECL-VMPITWQZSA-N 274.341 3.749 30 20 CHED CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1ccc(OCC#N)cc1 772958999 MOWOTYTVIKBWMJ-LESCRADOSA-N 286.419 3.893 30 20 CHED C=C[C@H](C(=O)NCC1(C#N)CCCCC1)c1ccccc1 1123928290 ODVAKWDHCDXTJE-INIZCTEOSA-N 282.387 3.546 30 20 CHED C#CCOc1ccccc1NCc1ccc2ncccc2c1 774375320 RFVUXISVYMRNCT-UHFFFAOYSA-N 288.350 3.859 30 20 CHED C#CCn1ccc(CN(CC)C[C@H]2CCC[C@@H](CC)C2)n1 789759204 PZWOVEUSJVJDCE-SJORKVTESA-N 287.451 3.555 30 20 CHED CCC[C@@H](C)N(C)C(=O)Nc1ccccc1O[C@H](C)C#N 780671745 UGZMZIFJFALWPD-CHWSQXEVSA-N 289.379 3.630 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1ccc(C)cc1)c1ccco1 789744024 ONCITGKNLKKFOQ-DLBZAZTESA-N 285.387 3.919 30 20 CHED C=C(Br)CN(C)c1cccc2cccnc12 787669931 KFLPCZKBXGSKQW-UHFFFAOYSA-N 277.165 3.580 30 20 CHED CC#CCCOC(=O)C1(Cc2ccccc2Cl)CC1 784283759 VDLLZVCMCCQYCO-UHFFFAOYSA-N 276.763 3.619 30 20 CHED C=C(C)CN(CC)Cc1csc([C@@H](C)OCC)n1 76715583 WQTKYGBEKWZVQN-GFCCVEGCSA-N 268.426 3.639 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCc3cc(F)ccc32)c(F)c1 1126780403 QVUABPZFHNSLSE-INIZCTEOSA-N 299.276 3.681 30 20 CHED CO[C@H](C(C)=NNc1ccccc1)c1ccccc1 782098477 TVZAZISLKKPRGH-MRXNPFEDSA-N 254.333 3.862 30 20 CHED Cc1cscc1C(=O)OCc1ccc(Cl)cc1C#N 780035410 QOAZOKJIPHRGFA-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CCOCCC=NNc1c(Cl)cccc1Cl 788433492 BEXWFPDMVLPWIX-UHFFFAOYSA-N 261.152 3.818 30 20 CHED Cc1ccnc(N2CCC(CC(C)C)CC2)c1C#N 784159940 HWQFGPIUMHMWJP-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C#CCC1(C(=O)NC[C@H]2CCc3ccccc32)CCCCC1 788214388 PXECROQEPPINQS-QGZVFWFLSA-N 295.426 3.806 30 20 CHED C=CC(C)(C)CC(=O)N(CCC#N)C(C)(C)CC 890022724 NREWBLGARFFANP-UHFFFAOYSA-N 250.386 3.520 30 20 CHED Cc1nc(N[C@@H]2CCCc3cccnc32)c(Cl)cc1C#N 896412380 QRNRWPDUONGIED-CQSZACIVSA-N 298.777 3.800 30 20 CHED CC1(C)C(=NNCCc2ccncc2)C[C@@H]1c1ccccc1 789096655 COJXRCLBNSJTOX-QGZVFWFLSA-N 293.414 3.783 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2ncncc2Cl)C1 780280778 TZEDLJGBUFVFGT-MNOVXSKESA-N 266.776 3.744 30 20 CHED Clc1cccc2c1SCCC2=NOC[C@H]1CCOC1 788034663 UCOASENYXBOJKN-JTQLQIEISA-N 297.807 3.593 30 20 CHED Cc1cc(C=NN[C@H](Cc2ccccc2)C(C)C)sn1 785462465 UJKUCDURIPJVQJ-MRXNPFEDSA-N 287.432 3.642 30 20 CHED C[C@@H](C#N)CN(C)Cc1cccc(SC(F)(F)F)c1 781327423 GMGZAZAUPMIFCT-JTQLQIEISA-N 288.338 3.890 30 20 CHED C#C[C@@H](CC)NCc1sccc1NC(=O)OC(C)(C)C 894387346 LXDIQGUACXLBGX-NSHDSACASA-N 294.420 3.597 30 20 CHED C=C1CCC(C(=O)OCc2ccncc2Cl)CC1 893106249 IUWUVEXGOKFVPR-UHFFFAOYSA-N 265.740 3.525 30 20 CHED C=CCN(Cc1ccccc1)Cc1cn(C)nc1C(F)F 274458484 GWICCZKJGYICAQ-UHFFFAOYSA-N 291.345 3.546 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 796464139 ZHFKYORZBUFJOM-NSHDSACASA-N 277.320 3.801 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccc(OCC(C)C)cc1 794697496 ZZWFCMVGFQWZCY-KTKRTIGZSA-N 298.386 3.659 30 20 CHED FC(F)(F)CCNN=Cc1cc(Cl)cc(Cl)c1 794553819 ZXNDDZYOMLNGJH-UHFFFAOYSA-N 285.096 3.869 30 20 CHED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCF)cc1 1136218638 YGTPKCPQVOLYGW-INIZCTEOSA-N 282.318 3.640 30 20 CHED C[C@@H](NN=Cc1ccc(C(F)F)cc1)C(C)(C)C 793114583 MGEUEGAVCRZWOH-SNVBAGLBSA-N 254.324 3.982 30 20 CHED C=CCC1(NCc2ccc([N+](=O)[O-])cc2)CCCC1 594985890 CCTMVTMYFSJTQT-UHFFFAOYSA-N 260.337 3.573 30 20 CHED CCN(Cc1ccc(C#N)c(F)c1)Cc1cccs1 191875572 IXCJRZOHNAMKDA-UHFFFAOYSA-N 274.364 3.781 30 20 CHED Cc1ccc(C(=O)N2CC[C@H]2c2cccc(F)c2)cc1C#N 799648674 REYMODHXWDBTCU-KRWDZBQOSA-N 294.329 3.593 30 20 CHED C[C@@H](OC(=O)[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1 796375214 OQUJUTKRMSBXSD-MFKMUULPSA-N 279.286 3.598 30 20 CHED CC(C)CCN(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790277813 UCMVGUSSQWQIEL-UHFFFAOYSA-N 297.320 3.561 30 20 CHED C=C[C@@](C)(CC)C(=O)OCCCCC1CCOCC1 798653515 NDNKQZQHDRPGPP-INIZCTEOSA-N 268.397 3.729 30 20 CHED Cc1cc(C#N)ccc1CSc1nccn1C1CC1 689781536 JOMAVGYJWKBFNL-UHFFFAOYSA-N 269.373 3.690 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C#N)cc2)oc1C 799896612 JKIRWWZWSCIQMY-BQYQJAHWSA-N 251.285 3.664 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1ccc(Cl)c(Cl)c1 598211023 YGCPHTCYFLRMIT-ZDUSSCGKSA-N 285.174 3.549 30 20 CHED CC(C)Cc1ccccc1C(=O)N[C@H](C#N)CC(C)C 792545906 PCULYUBJTWHMSJ-HNNXBMFYSA-N 272.392 3.553 30 20 CHED COc1cc(C#N)ccc1COC(=O)c1occc1C(C)C 792617141 GIFMHDHVEBXTTK-UHFFFAOYSA-N 299.326 3.640 30 20 CHED N#Cc1cccc(COC(=O)C(C2CCC2)C2CCC2)c1 796999712 JBDGWMJYAKHWNE-UHFFFAOYSA-N 283.371 3.818 30 20 CHED C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)[C@H](C)C1 70114233 UKLQBJJLBKCTBR-GYSYKLTISA-N 273.336 3.703 30 20 CHED C#CCCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 692899354 IJURMTDUTYKLFJ-ARFHVFGLSA-N 261.409 3.607 30 20 CHED CC1CCC(CNC(=O)Nc2cc(F)cc(C#N)c2)CC1 1219799592 XSBONYVFQWENQN-UHFFFAOYSA-N 289.354 3.645 30 20 CHED C#Cc1cccc(N(C)CCCCC2CCOCC2)c1 799121271 VXURWDBBKYKFBU-UHFFFAOYSA-N 271.404 3.701 30 20 CHED N#CCOc1ccc(NCC2CCCCCC2)cc1 89557082 KOOFJPKASXKPDX-UHFFFAOYSA-N 258.365 3.971 30 20 CHED N#Cc1cnccc1S[C@@H]1CCOc2ccccc21 1306996120 KFJSGYVWPHYWNL-OAHLLOKOSA-N 268.341 3.569 30 20 CHED N#CC1(CCN(CC2CC2)CC2CC2)CCCCC1 1307947723 TVYVXPCXKZWBJM-UHFFFAOYSA-N 260.425 3.973 30 20 CHED Cc1cccn2cc(CSCCCCC#N)nc12 1319751854 NVPXNDCFPVLUPX-UHFFFAOYSA-N 259.378 3.570 30 20 CHED Cn1c(NN=Cc2ccc3c(c2)CCC3)nc2ccccc21 1318901009 WCGONMDPTHSFAT-UHFFFAOYSA-N 290.370 3.508 30 20 CHED C=CCC1(c2nc([C@H](N)c3ccccc3)no2)CCCC1 1326171213 BNUFHEKCTGRZPW-CQSZACIVSA-N 283.375 3.506 30 20 CHED CNc1ccccc1CNc1cc(C#N)ccc1C 1178901049 LYOGEVJOQALFMP-UHFFFAOYSA-N 251.333 3.521 30 20 CHED Cn1cc(CON=Cc2ccc(Cl)cc2)c(C(F)F)n1 1320451335 NPVCRCKFTCUDQU-UHFFFAOYSA-N 299.708 3.562 30 20 CHED CC(C)[C@H]1N(C(=O)c2csc(C#N)c2)CC12CCCC2 1326731277 WXINDAKRKVARKB-CQSZACIVSA-N 288.416 3.661 30 20 CHED CSc1cc(C)ccc1CNc1cccc(CC#N)n1 1320656593 STAIBCHMOWLASL-UHFFFAOYSA-N 283.400 3.790 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1c(C#N)cccc1C#N)CC2 1328657290 QFXATIFGJTUNSQ-KRWDZBQOSA-N 273.339 3.838 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1cc(F)cc(F)c1 1320953943 SBACOGNOBWNALJ-UHFFFAOYSA-N 286.325 3.777 30 20 CHED CCC1(CC)[C@H](Nc2cc(C)c(C#N)cn2)[C@@H](C)[C@H]1OC 1185979791 UKLPVXLOEAQCJL-DAXOMENPSA-N 287.407 3.513 30 20 CHED Cc1csc2ncnc(Oc3ccccc3C#N)c12 1184607608 DTXOGDWWPHGTPS-UHFFFAOYSA-N 267.313 3.664 30 20 CHED C=C(C)CCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 1335907937 XAQMIXSAZKLEQA-ZBFHGGJFSA-N 275.367 3.934 30 20 CHED Cc1cccc(C2=CCN(C(=O)C3(C#N)CCC3)CC2)c1C 1333931238 XKAGNJYVKRUWPU-UHFFFAOYSA-N 294.398 3.613 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 1337549077 AVINCXZOLVOPLS-FXUDXRNXSA-N 259.393 3.546 30 20 CHED C=CCC[C@H](C(=O)NCCC(F)F)c1ccccc1 1338464632 SMUUAHBGJBNINW-ZDUSSCGKSA-N 267.319 3.508 30 20 CHED N#Cc1ccc(OCc2nnc(/C=C/C3CCCC3)o2)cc1 1330072891 CPEGYAFLUHSQQK-JXMROGBWSA-N 295.342 3.724 30 20 CHED Nc1ccc(C=NNc2cc(F)c(F)cc2F)c(Cl)c1 1343773539 JZXSDVAHNJXFDZ-UHFFFAOYSA-N 299.683 3.786 30 20 CHED C=CCCOCCCCc1nnc(Cc2cccs2)o1 1349948209 WESVYLDMXJKTAT-UHFFFAOYSA-N 292.404 3.637 30 20 CHED C=CCCOCCCCc1nnc(CC2CCCC2)o1 1261570673 ZLQSGESLSXGHEX-UHFFFAOYSA-N 278.396 3.718 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 1346580243 MVSMVNDLCZXPQS-IAGOWNOFSA-N 287.403 3.625 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)CC/C=C/c1ccccc1 1344325851 PTEMBDIFJIMCJA-DHINHOHASA-N 293.370 3.573 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2sccc2C#N)C1 1275116638 JHFWPVCBGRYRIF-LLVKDONJSA-N 263.362 3.745 30 20 CHED C=C(C)Cn1c([C@@H](C)SC)nnc1N(C)[C@H](C)C1CC1 1515739672 JZDGBUQFYMSYPM-VXGBXAGGSA-N 294.468 3.513 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 1516435177 XWSVCPVIVFKPQD-UHFFFAOYSA-N 288.734 3.860 30 20 CHED N#Cc1cc(C(=O)Nc2nc3ccsc3s2)cs1 1360603699 WADNIFDIJIAQFK-UHFFFAOYSA-N 291.382 3.543 30 20 CHED N#Cc1ccccc1-c1ccc(COc2cncnc2)cc1 1459291510 LPWLYELOYDHNGU-UHFFFAOYSA-N 287.322 3.594 30 20 CHED Cc1nc(N(CC(C)C)CC(C)(C)C)ccc1C#N 1458273446 ABZJZEDLRRHGGA-UHFFFAOYSA-N 259.397 3.770 30 20 CHED N#Cc1ccccc1SC[C@@H]1CCCC[C@H]1C(=O)O 1601127915 YROFIOMUQDQCEZ-QWHCGFSZSA-N 275.373 3.541 30 20 CHED C=CCOc1cccc(N[C@@H](C(=O)O)c2ccsc2)c1 1602921835 VIYATAXXWHEIEE-CQSZACIVSA-N 289.356 3.551 30 20 CHED CC(C)(C(=O)O)c1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 1603270658 CBEZBNSTEYRKIU-SWLSCSKDSA-N 286.375 3.543 30 20 CHED CC(C)(CNC(=O)Nc1cc(F)cc(C#N)c1)C1CCC1 1626924933 FBCCVKOPUMMETL-UHFFFAOYSA-N 289.354 3.645 30 20 CHED CC[C@H](Nc1cc(C#N)nc(C)n1)c1cccc(Cl)c1 1559122673 PZOMHZPBNGWLOT-AWEZNQCLSA-N 286.766 3.873 30 20 CHED N#CCc1cccc(C(=O)Nc2cscc2Cl)c1 1625354589 HJNVXBQUZNTMJH-UHFFFAOYSA-N 276.748 3.720 30 20 CHED COC(=O)[C@@H]1CCCC[C@H]1CSc1ccccc1C#N 1559374191 ZKLWZSISGUJCMH-UONOGXRCSA-N 289.400 3.630 30 20 CHED CCC[C@H](C)c1cc(NC(=O)c2cc(C#N)ccc2C)n[nH]1 1557201288 WCOAKZKEKOGZTQ-LBPRGKRZSA-N 296.374 3.746 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1639803210 OPBXTCICIUHLRV-LLVKDONJSA-N 298.390 3.754 30 20 CHED N#Cc1c(N2CCCCC2)cccc1C(F)(F)F 261507046 DSMMKQSLHYNFKL-UHFFFAOYSA-N 254.255 3.567 30 20 CHED CCCC[C@@H](CCC)CNc1cc(C#N)nc(CC)n1 1651622085 DIJVFQBKOLQDMF-CYBMUJFWSA-N 274.412 3.929 30 20 CHED N#CCC1(CN2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)CC1 1652421352 OYTGWKBDLDXGGL-MWDXBVQZSA-N 272.436 3.971 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NCCc1ccc(C#N)cc1 1653373401 RMVUVFYFEDBNSK-RHSMWYFYSA-N 270.420 3.905 30 20 CHED CCCN(CCN(CC)CC)CCC1(C#N)CCCCC1 1658176638 NWVCTXHHOMHAGN-UHFFFAOYSA-N 293.499 3.904 30 20 CHED C=C(CC)CN[C@](CC)(C(=O)O)c1ccc(Cl)cc1 1588607081 RXAJYCSVUBYUNU-HNNXBMFYSA-N 281.783 3.586 30 20 CHED Cc1cc(C#N)ccc1CN1CCSC[C@H]1C(C)(C)C 1659944277 RBTYNOKYJRQGGZ-INIZCTEOSA-N 288.460 3.830 30 20 CHED N#Cc1cc(N2CCCC[C@H]2Cc2ccc(F)cc2)ccn1 1651577388 NXTWGRRAVFYUBW-KRWDZBQOSA-N 295.361 3.694 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)s2)cc(OC)c1 8080392 FRPVFYVGUNCMHR-AATRIKPKSA-N 288.368 3.970 30 20 CHED CC(C)c1ccccc1C=NNc1cccc(C(=O)O)c1 1776037497 LFHRGQSJSMTNKS-UHFFFAOYSA-N 282.343 3.954 30 20 CHED C=CCC1(C(=O)O)CCN([C@@H]2C=CCCCCC2)CC1 1776159691 WJCJBOGKQVGUIB-OAHLLOKOSA-N 277.408 3.618 30 20 CHED CC1(CC(=O)Nc2ccc(F)cc2C#N)CCCCC1 153630616 JODGVOZSMHSZLA-UHFFFAOYSA-N 274.339 3.996 30 20 CHED Cc1cc(F)ccc1[C@H](C)NCc1ccc(C#N)cc1 815560680 MXGKTNZSHFYIAK-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C=CCN(C[C@@H](O)c1cccc(Cl)c1)C(C)(C)C 852554174 FIUZLMWRCHRLDO-CQSZACIVSA-N 267.800 3.660 30 20 CHED CN(Cc1cc(C#N)ccc1F)C[C@@H]1C[C@H]2CC[C@H]1C2 249965743 FVUWWIZCLCXGAD-QEJZJMRPSA-N 272.367 3.565 30 20 CHED N#Cc1ccc(CN2C[C@H]3CCC[C@H]2C3)c(Cl)c1 1198479797 TVDDPDAPNRQKEH-JSGCOSHPSA-N 260.768 3.586 30 20 CHED CCCc1ccccc1NC(=O)c1ccc(C#N)cc1 24501276 WFTFLBUSQINNJP-UHFFFAOYSA-N 264.328 3.763 30 20 CHED C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1C#N 37333801 MHIIFRQMKUNGKS-SNVBAGLBSA-N 268.282 3.956 30 20 CHED N#Cc1cccc(CNc2ccc(C(F)(F)F)cn2)c1 37502161 XSIMFBLGJGORJG-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C[C@H](Nc1nc2ccccc2[nH]1)c1ccc(C#N)cc1 37756996 HLIMBLWLRNBEJT-NSHDSACASA-N 262.316 3.608 30 20 CHED CCCCCN(C(=O)c1cccc(C#N)c1)C(C)C 47846411 JPDUXNPBJGFVMY-UHFFFAOYSA-N 258.365 3.599 30 20 CHED CCC(CC)CN(CC)Cc1cc(C#N)ccc1F 48335125 BVWYVXQAPYWYMC-UHFFFAOYSA-N 262.372 3.955 30 20 CHED CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 49092956 BOSFLTHAFVZTMM-IHRRRGAJSA-N 260.381 3.674 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)C1CCC1 457435798 NEWMETMAGWCMRX-AWEZNQCLSA-N 257.377 3.637 30 20 CHED N#Cc1cc(CNc2cc(F)c(F)cc2F)ccc1F 180403134 MZWZEVMPWPTQAY-UHFFFAOYSA-N 280.224 3.727 30 20 CHED Cc1cc(C#N)cc(NCc2cccc3[nH]ccc23)c1 308126515 AZTPDTPHUCUKMA-UHFFFAOYSA-N 261.328 3.960 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CCCC(F)(F)C2)c1 308192055 KEPPEAGVPMLVFK-LBPRGKRZSA-N 278.302 3.631 30 20 CHED Cc1nc(NCc2cccs2)c(Cl)cc1C#N 310168854 SPVKWYKLEZAEJV-UHFFFAOYSA-N 263.753 3.589 30 20 CHED N#Cc1cnc(N2CCC[C@H]2C2CCCC2)c(Cl)c1 513621764 YPOZLKXVCONJEE-AWEZNQCLSA-N 275.783 3.766 30 20 CHED N#C[C@H](/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 329062069 JWTBHCZLJIULBZ-MHEUCROKSA-N 260.381 3.852 30 20 CHED C#CCN(Cc1ccccc1)C[C@H](OC)c1ccccc1 796639025 KUBDKASBPMRZDW-IBGZPJMESA-N 279.383 3.510 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(Oc2ccc(F)cc2)cc1 8522696 MEZGWBCKLTXFQR-NSHDSACASA-N 285.274 3.687 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CCc3c(Cl)cccc32)cc1 55711743 SXLBWTRUMPNRQK-INIZCTEOSA-N 296.757 3.629 30 20 CHED N#Cc1cccc(C[S@](=O)c2ccc(Cl)cc2)c1 107929833 WEIDPSJWYMVTTK-GOSISDBHSA-N 275.760 3.519 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccnc2ccccc12 178407505 QWTHBILIAGNDEC-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCN(c2ccccc2)C1 29624573 CYHWHHKNVLZUMU-AWEZNQCLSA-N 295.361 3.636 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C)c1C 116973774 KIBRGFQIZYTQRS-OCCSQVGLSA-N 260.381 3.628 30 20 CHED C[C@H](CCc1ccccc1)/N=C\c1ccccc1O 103010739 VCYKLZPEKINGBD-VVTMIQRTSA-N 253.345 3.832 30 20 CHED Cc1ccc(CN(CCOc2cccc(C#N)c2)C2CC2)o1 51968117 CQVDCEXVJUCVHB-UHFFFAOYSA-N 296.370 3.503 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1OC(C)(C)C 115299209 IJKQKNLSPKESBZ-CYBMUJFWSA-N 291.391 3.784 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](C)CCCc1ccccc1 179839981 GNSZIXZFIYGOGC-JKSUJKDBSA-N 286.419 3.654 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(c2ccccc2)CC1 172078753 CMNUDNDKUTWCNP-AWEZNQCLSA-N 272.392 3.540 30 20 CHED CC(C)[C@H]1OCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 178693154 HSNYGWUCWQHUMN-BMGDILEWSA-N 286.419 3.660 30 20 CHED CC(C)c1cccc(-c2ccc(C(=O)N[C@@H](C)C#N)o2)c1 179820611 VHPSYBUWJBDDIK-LBPRGKRZSA-N 282.343 3.712 30 20 CHED CC(C)Sc1c(Cl)cccc1NC(=O)CC#N 187014314 HTMYTIMHFYQCKO-UHFFFAOYSA-N 268.769 3.693 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(F)cc1N(C)C 180950476 KWXLGSUATPHWLW-NWDGAFQWSA-N 250.361 3.507 30 20 CHED C=CCC1(C(=O)NCc2coc(-c3ccccc3)n2)CCC1 188066514 TVBCZNHYVYTYSR-UHFFFAOYSA-N 296.370 3.704 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1cccs1 24034549 TUPZPNODNAEOCP-CQSZACIVSA-N 270.357 3.501 30 20 CHED C=C(Br)COc1ccc(F)cc1Cl 307731301 MVGARMZRUCYGSN-UHFFFAOYSA-N 265.509 3.767 30 20 CHED CCCCCCCCCC(=O)N(C)c1cnn(C)c1 173185431 RYIQIEKFBAHHMV-UHFFFAOYSA-N 265.401 3.524 30 20 CHED C[C@@H](NCCOC1CCCCCC1)c1ccc(C#N)cc1 174110450 KTGXETCSJDWYFI-OAHLLOKOSA-N 286.419 3.948 30 20 CHED C=C(C)CS[C@H](C)C(=O)N(C)Cc1ccccc1C 177866290 QPGMLTHAWNRWOO-CQSZACIVSA-N 277.433 3.651 30 20 CHED C=CCCSc1nc(NCC)c2ccccc2n1 303820433 PGFHGAUJBZFFBK-UHFFFAOYSA-N 259.378 3.730 30 20 CHED N#Cc1cccnc1NCCCSc1ccccc1 67949083 XPGYWRAKRNGAJC-UHFFFAOYSA-N 269.373 3.548 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 69311677 CGJCGOZPFJRUEP-JTQLQIEISA-N 287.281 3.625 30 20 CHED COc1cccc(N/C(N)=N/C[C@@H](C)c2cccc(C)c2)c1 304810635 WPHDKFREMRFKNZ-CQSZACIVSA-N 297.402 3.534 30 20 CHED CC(C)(CCC#N)CN(Cc1ccccc1)C1CC1 125441360 XPDAUIBLQNUPGP-UHFFFAOYSA-N 256.393 3.981 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc(CC)cc2)CC1 177905481 NXQJRKIDWJOMLS-OAHLLOKOSA-N 272.436 3.550 30 20 CHED C[C@H](Nc1c(C#N)cnc2ccccc12)c1ccccn1 37507657 XBHPFMJISSMOIS-LBPRGKRZSA-N 274.327 3.675 30 20 CHED N#Cc1cccc(OC[C@@H]2CCCC(F)(F)C2)c1 306033990 RZJMRSPDWFZXPM-GFCCVEGCSA-N 251.276 3.763 30 20 CHED C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)s1 302134380 ZJLSHLFFOCMORZ-UHFFFAOYSA-N 291.395 3.670 30 20 CHED CSc1ccc(OCc2ccccc2C#N)cc1 70159980 ITFXGCSLENOKSE-UHFFFAOYSA-N 255.342 3.859 30 20 CHED O=C(O)c1cccc(/C=C/C(=O)c2cc(F)cc(F)c2)c1 126464044 KCNNCYDUWOQSFY-SNAWJCMRSA-N 288.249 3.559 30 20 CHED COc1cc(C(=O)/C=C/c2ccccc2C)c(OC)cc1O 122529620 ZUYFBVVPOFZEFH-CMDGGOBGSA-N 298.338 3.614 30 20 CHED C=C[C@H](CC(=O)NCc1ccccc1C)c1ccccc1 123550723 ARFBSKBNUFLPKK-MRXNPFEDSA-N 279.383 3.971 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 183789102 YJUJAFLKSYHUGX-IUODEOHRSA-N 292.810 3.717 30 20 CHED C=CCCC(=O)OCc1nc(-c2ccccc2)cs1 73090710 CWAMSWKUPISGMG-UHFFFAOYSA-N 273.357 3.820 30 20 CHED C=C[C@H](C)NC(=O)CCc1ccc(CC(C)C)cc1 501948675 KPBRYNVTHHBZEP-AWEZNQCLSA-N 259.393 3.508 30 20 CHED CCCCCCCCOCC(=O)Nc1ccncc1F 122955717 HKIVRZHEFWEZPT-UHFFFAOYSA-N 282.359 3.536 30 20 CHED Cc1cc(CN(CCC#N)Cc2ccccn2)ccc1Cl 180429693 XIQUPAYDJRLNHJ-UHFFFAOYSA-N 299.805 3.959 30 20 CHED N#C[C@@]1(NC(=O)CCC2CCCC2)CCc2ccccc2C1 183977611 SIPFGCCYPXKYSC-LJQANCHMSA-N 296.414 3.524 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccccc2)C(F)(F)F)c1 70198490 MJLAYHBRHXLEAQ-HNNXBMFYSA-N 290.288 3.951 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(COc2ccccc2)cc1 180428775 GWBBLCLLYOWFAJ-UHFFFAOYSA-N 295.382 3.914 30 20 CHED C=CCn1c(SCc2cnc(C)nc2)nc2ccccc21 505454703 CSUROBSPOSYWTQ-UHFFFAOYSA-N 296.399 3.613 30 20 CHED C=C(C)CN(C)Cc1cccc(C(=O)OC(C)(C)C)c1 501054590 YLWAWMWDNXJMJH-UHFFFAOYSA-N 275.392 3.650 30 20 CHED C[C@]1(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC=CCC1 416096690 IFHXKAOWVHTDCE-HKUYNNGSSA-N 294.398 3.798 30 20 CHED C=C(C)CN(C)C(=O)C1(c2cccc(OC)c2)CCCC1 180435481 DNPFYGJLTTXHRM-UHFFFAOYSA-N 287.403 3.542 30 20 CHED C=C(C)[C@@H](NC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 187357847 SMFDTGBCKWNDJC-CYBMUJFWSA-N 282.334 3.680 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccc(C2CC2)cc1 416712643 CPWBPCITKSSFBH-CYBMUJFWSA-N 272.392 3.890 30 20 CHED N#CCCN(C(=O)c1ccoc1)C12CC3CC(CC(C3)C1)C2 185099088 DYAJIBHDFCBGFK-UHFFFAOYSA-N 298.386 3.604 30 20 CHED CC[C@H](C)CCC(=O)Nc1ccc(C#N)cc1C(C)=O 411056909 NYCFOHQPYFMEQK-NSHDSACASA-N 272.348 3.526 30 20 CHED C[C@H](CCc1ccccc1)NCc1cccc(OCC#N)c1 124019117 QPXOEEWGAZXTQX-MRXNPFEDSA-N 294.398 3.700 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 500115376 LMFDXJZATTZQDC-SECBINFHSA-N 297.742 3.724 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)C1CC1 413985883 LDAQQRNHGWDHGU-MRXNPFEDSA-N 271.404 3.726 30 20 CHED CC1(C)CC[C@@H](C(=O)Nc2cccc(CC#N)c2)C1 456760988 XJNZJABSQOETKF-CYBMUJFWSA-N 256.349 3.517 30 20 CHED C[C@@H]1C[C@H](CNc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)O1 413544164 YILZVQGQSFCGER-CKYFFXLPSA-N 298.308 3.802 30 20 CHED C=C[C@@H](C)NC(=O)CCc1ccc(CC(C)C)cc1 501948676 KPBRYNVTHHBZEP-CQSZACIVSA-N 259.393 3.508 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)c(C)c2)cc1 447296579 VULQDQXTYMWILN-UHFFFAOYSA-N 265.312 3.648 30 20 CHED C=CCOc1ccccc1C(=O)N1CCCC[C@H](C)C1 184387413 KQTIGADHANVYII-AWEZNQCLSA-N 273.376 3.514 30 20 CHED C=CCn1c(SCCC)nc2sc(C)c(C)c2c1=O 78440590 RRKPCAKJOBNQAR-UHFFFAOYSA-N 294.445 3.763 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(Cl)c(SC)c1 417301720 ZIMKWXRBWAEOSB-UHFFFAOYSA-N 297.811 3.829 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)CCCC(F)(F)F 507170811 QIALNASNARETFX-SNVBAGLBSA-N 265.319 3.826 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCCc1ccc2ccccc2c1 180380923 BTEKEVPDGVLGBH-OAHLLOKOSA-N 294.398 3.923 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc([C@H](C)C(=O)OC)c1 412543203 FCIDHCCDMJLKLW-YVEFUNNKSA-N 289.375 3.504 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ncccc1Cl 42611557 HMLSUDQEHMZTSE-LLVKDONJSA-N 298.839 3.640 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)CCC(C)(C)C 410831732 ALIMPKNHCWZPDH-QWHCGFSZSA-N 252.402 3.599 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCSc2ccccc21 414161022 DWZWIBIJASBWBR-CYBMUJFWSA-N 260.406 3.753 30 20 CHED CC1(C)CCC(CC(=O)NCC#Cc2ccccc2)CC1 503311636 OCDIWQHNVRJICR-UHFFFAOYSA-N 283.415 3.761 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 285118850 VIEOIAOPITYKSM-CQSZACIVSA-N 299.201 3.892 30 20 CHED C[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 133995135 MQKCUNVLGCOANX-DVOMOZLQSA-N 270.376 3.562 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)CCC1 412458627 CUVXMVKDXAPMEH-HUUCEWRRSA-N 261.409 3.675 30 20 CHED C=CCNc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 89104306 FWNMUGPAGKNAAS-AWEZNQCLSA-N 272.392 3.608 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(c2ccccc2)CC1 190038160 HTWCJQFWQPDGNO-GOSISDBHSA-N 271.404 3.995 30 20 CHED C=C1CCN(Cc2ccc(Sc3ccccn3)o2)CC1 508250998 XNJOYYFVOLAHMR-UHFFFAOYSA-N 286.400 3.978 30 20 CHED C#CC[C@@H](C)OC(=O)c1csc(-c2ccc(F)cc2)n1 83787050 FKNZVJAIZRIFJH-SNVBAGLBSA-N 289.331 3.518 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(C#N)s2)c(C)c1 421891182 VWONFFKPCOBBGS-GFCCVEGCSA-N 286.400 3.788 30 20 CHED C/C=C(\CC)C(=O)Nc1cccc(OCCCC#N)c1 190387928 VTYJNAMNPLFOCM-QLKAYGNNSA-N 272.348 3.664 30 20 CHED C[C@@H](SCCCCC#N)c1ccc(S(C)(=O)=O)cc1 190918344 JYYGXLVWFLYUEO-GFCCVEGCSA-N 297.445 3.578 30 20 CHED C=CCC1(C(=O)N(C)[C@@H](C)CCSCC)CCC1 191912926 IHUGRLSZVJCICU-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED C=CCN(Cc1ccccc1C(F)(F)F)C1CC1 613460465 JTOJRAGNEYIXNR-UHFFFAOYSA-N 255.283 3.856 30 20 CHED Cc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc1 48578841 FKEPGLDGSCKWFO-QPJJXVBHSA-N 273.313 3.861 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CC1CCCCC1 195745443 HBUOKZRXGHDGCJ-DOTOQJQBSA-N 293.451 3.929 30 20 CHED N#Cc1ccc(SCc2cnc3ccccc3c2)nc1 337274584 PUGDVTAEQSKORL-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CCSc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 426318613 ROXXZCVGTMBWGW-ZFWWWQNUSA-N 274.433 3.971 30 20 CHED C#Cc1cccc(NCc2nn(CC)c3ccccc23)c1 89173886 LRFAXROXZPKIBC-UHFFFAOYSA-N 275.355 3.650 30 20 CHED C=C1CCN(C(=O)[C@@H](C)CSc2ccc(F)cc2)CC1 425934747 AFWIIDFKRKQLRY-ZDUSSCGKSA-N 293.407 3.733 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(SC(F)(F)F)cc1 84712923 GONOBXPEERBMAP-VIFPVBQESA-N 289.278 3.757 30 20 CHED CC[C@H](NCCCC1(C#N)CCOCC1)c1cccs1 337205674 LBBUOERXPBCWRM-AWEZNQCLSA-N 292.448 3.889 30 20 CHED Cc1cc(C)cc([C@H](C)/N=C(/O)c2nc(C)oc2C)c1 330480374 POICRIWHMBMEGL-NSHDSACASA-N 272.348 3.974 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(-n2cccn2)cc1C 190819680 OLNGZHMAHDQRJW-UHFFFAOYSA-N 298.390 3.611 30 20 CHED C[C@@H]1[C@@H](N[C@H](C(=N)O)c2ccc(C#N)cc2)CCC[C@H]1C 330790917 ABPILIDDKVQEFT-KNPMLCFXSA-N 285.391 3.549 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@@H](C#N)C1CCCCC1 330525455 JTALYXDPBBRUMA-DOMZBBRYSA-N 264.413 3.647 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1=CCCCCC1 335094537 QQFSVDHHMIGWFZ-AWEZNQCLSA-N 282.387 3.968 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCCC(C)(C)C#N 425535409 NKDASJOXYVWPSW-CQSZACIVSA-N 269.392 3.881 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(C)o1 96920967 VDPFMGCDSRWEQX-KTKRTIGZSA-N 256.301 3.883 30 20 CHED C=C(CNC(=O)N1CC[C@H](C)C(C)(C)C1)c1ccccc1 512680431 BGCLLUAAQAYZCM-HNNXBMFYSA-N 286.419 3.777 30 20 CHED C[C@@H](C#N)C(=O)Nc1nc(-c2ccccc2Cl)cs1 336448214 JQEHLZNCEUUNCZ-QMMMGPOBSA-N 291.763 3.562 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2ncc(C#N)cc2Cl)c1 335282623 IVRNFQLIRQPDEJ-UHFFFAOYSA-N 299.761 3.500 30 20 CHED C[C@H]1CC=CC[C@H]1COC(=O)c1cccc(CC#N)c1 97364336 VWIZWIIEHIDHBB-BBRMVZONSA-N 269.344 3.512 30 20 CHED N#Cc1csc(C(=O)Nc2nc(-c3ccccc3)co2)c1 339173965 HOOPBHQVOQMLBA-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC(C)N(C)CC1CCN([C@H](C)c2cccc(C#N)c2)CC1 526941597 DIZZBLZWBVZTRA-MRXNPFEDSA-N 299.462 3.671 30 20 CHED Cc1cc(NCCc2c[nH]c3cc(F)ccc23)cc(C#N)n1 341853846 QEIAMRKBLDBMKK-UHFFFAOYSA-N 294.333 3.537 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CO[C@H]1CCCC[C@H]1C 348524888 KLKJFOQIKKVHHH-CABCVRRESA-N 294.439 3.513 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cccc(-n2cccc2)c1 345892743 VASZLSUJJDRYFG-UHFFFAOYSA-N 295.386 3.537 30 20 CHED N#CCc1ccc(NC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)cc1 249372993 DXGIRPGIFQTDRB-JYJNAYRXSA-N 297.402 3.700 30 20 CHED CC(C)c1nnc(CNc2ccc(Cl)c(C#N)c2)s1 295841601 FOMRJHXPVJQDPM-UHFFFAOYSA-N 292.795 3.799 30 20 CHED Cc1ccc(-c2cccc([C@@H]3CCCN3)c2)c(C#N)c1 600776762 NHKKMEXLYQTDRH-SFHVURJKSA-N 262.356 3.958 30 20 CHED C=CCC[C@@H](NCCc1c(F)cccc1F)C1CC1 439079025 SIKCHPHJBOFAPS-MRXNPFEDSA-N 265.347 3.842 30 20 CHED CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@@H](C)CCC#N 602554580 BNAZEJKTDYUPPI-XEZPLFJOSA-N 294.826 3.945 30 20 CHED C=CCCN(C)Cc1c(C)nn(Cc2ccccc2)c1C 343446425 RQDCTRFOIOXWCN-UHFFFAOYSA-N 283.419 3.556 30 20 CHED N#Cc1ccc(CSCc2cccnc2)cc1F 341998672 NINQEMGJKZSGKF-UHFFFAOYSA-N 258.321 3.526 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2cc(C#N)cs2)ccc1F 438083405 WCRZZDHBGGDWIP-SNVBAGLBSA-N 288.347 3.558 30 20 CHED C=CCCN(C)C(=O)CCc1nc(C)c(-c2ccccc2)o1 342492454 RFCQZFRNHQWQMU-UHFFFAOYSA-N 298.386 3.617 30 20 CHED C/C(=C/C(=O)O[C@H](C#N)C(C)C)c1ccccc1Cl 255510232 SWJSBOZKLWBNLX-KOTGUFOOSA-N 277.751 3.835 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)o1 539418818 MNVHKQXYDBNHAJ-MELADBBJSA-N 258.365 3.600 30 20 CHED C=CCN(CC=C)[C@H](CNc1nccc2occc12)C(C)C 525642451 WYNIFICUQXKEFX-MRXNPFEDSA-N 299.418 3.938 30 20 CHED C=CCCN(C)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 344276434 GVQDCBVQNIFHIE-UHFFFAOYSA-N 297.354 3.797 30 20 CHED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H](C)C(C)C 609216563 MWKFGBPTVJBDFQ-AWEZNQCLSA-N 297.402 3.671 30 20 CHED N#C[C@@H]1CC[C@@H](n2cc(C3CCCCCC3)nn2)C1 600973360 MWSOIULPMPNLAB-TZMCWYRMSA-N 258.369 3.581 30 20 CHED CSCc1cccc(CNc2cc(C)nc(C#N)c2)c1 342962594 CSJIMLNBRFBFLR-UHFFFAOYSA-N 283.400 3.737 30 20 CHED N#CCCCN[C@@H]1CCC[C@H]1c1ccccc1Cl 349659811 ZZBDGWJXVVFKTE-DZGCQCFKSA-N 262.784 3.869 30 20 CHED C=CCC1(CNC2CCC(OC)CC2)CCCC1 449607308 XCCMENBNMUHSMU-UHFFFAOYSA-N 251.414 3.670 30 20 CHED Cc1sc(CNCc2cccc(C#N)c2)nc1C(C)C 344170924 HVEUCNCYVSBWIS-UHFFFAOYSA-N 285.416 3.736 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1ccc2ccccc2c1 448580335 GGSCQGSZSJGBKU-VBHSOAQHSA-N 278.355 3.567 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3ccccc32)CCCC1 449204045 LVOVVDYQCAIZCZ-MRXNPFEDSA-N 269.388 3.927 30 20 CHED C=CCNC(=O)CSCc1ccc(SC(C)C)cc1 358293962 NQPNWTRUOSARQU-UHFFFAOYSA-N 295.473 3.723 30 20 CHED Cc1ccccc1C(C)(C)C(=O)NCC(C)(C)CCC#N 359754707 DMOWNVLZSYSDBH-UHFFFAOYSA-N 286.419 3.719 30 20 CHED C=CCC[C@@H](CC)NCc1ccnc(SC)c1 357857158 VGXACNUKRXACAF-CYBMUJFWSA-N 250.411 3.638 30 20 CHED C=C(C)CCc1noc(C2=Cc3cccc(OC)c3OC2)n1 351620980 VDEQJTBTTQTCAL-UHFFFAOYSA-N 298.342 3.520 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)NCC(C)(C)CCC#N)C1 353729898 OKQNXJFBAMBGTP-KBPBESRZSA-N 279.428 3.584 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cccnc2)CCCCC1 448589684 LOODYKXYUOPYSE-AWEZNQCLSA-N 272.392 3.785 30 20 CHED COc1ccc2nc(CNc3ccc(C#N)cc3)sc2c1 352309314 TZPNQTGRXXPBHV-UHFFFAOYSA-N 295.367 3.789 30 20 CHED Cc1cc(CNC2(Cc3ccccc3)CC2)ccc1C#N 444003564 SXQMTHQJZVTXDU-UHFFFAOYSA-N 276.383 3.732 30 20 CHED C=CCOCCCSCc1ccc(OC)c(F)c1 359153121 LAOBNBFCIAWWBA-UHFFFAOYSA-N 270.369 3.660 30 20 CHED C[C@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)c2ccccc21 448709992 CCNUACCZDFDNCU-SCLBCKFNSA-N 280.371 3.611 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCO[C@H](CC(C)C)C2)n1 611467833 DSPCOGNONUVONF-HUUCEWRRSA-N 287.407 3.576 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1cccs1)c1cccc(C#N)c1 610347187 UQNGEZCJQISYEG-NWDGAFQWSA-N 299.399 3.741 30 20 CHED C=CCCC1(C(=O)Nc2nc(C3CC3)cs2)CC1 354977750 IOONCMKBDZJRRB-UHFFFAOYSA-N 262.378 3.705 30 20 CHED C[C@@H](c1ccc2ccccc2c1)N1CC[C@](F)(C#N)C1 615638827 JANMMFTUMQVPQW-GUYCJALGSA-N 268.335 3.838 30 20 CHED C=CCCC(=O)Nc1ccc(SC(F)F)cc1 263716393 XFJPGACVCGIFJM-UHFFFAOYSA-N 257.305 3.906 30 20 CHED C=CCC1(C(=O)N(C)CCOc2ccccc2C)CCC1 357838162 VYZMRCIWJDMQNX-UHFFFAOYSA-N 287.403 3.579 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc(-c2ccccc2)ns1 531056654 AFDMPLSIHUBHOV-UHFFFAOYSA-N 299.399 3.574 30 20 CHED C[C@@H](CC(=O)N(C)c1ccc(C#N)cc1)c1ccccc1F 440042380 AEUUMNOSNHVWFJ-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cncc3ccccc23)C1 617785970 QSVQTORKVGYASG-CQSZACIVSA-N 280.371 3.663 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 538124373 IVKPIOOHDXYMLA-MAZHCROVSA-N 275.367 3.790 30 20 CHED Cc1nc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cs1 618804907 MYEFPTFQIWSOFE-ZUZCIYMTSA-N 283.400 3.661 30 20 CHED CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 442782693 LYGKTUSHQBLLRM-UHFFFAOYSA-N 296.336 3.920 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 617789238 BJISDASUKHUNFM-HNNXBMFYSA-N 257.377 3.732 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccc(-c2ccccn2)cc1 354158481 LPEUYAARWNVAIQ-CYBMUJFWSA-N 294.358 3.514 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H](C)CCCc1ccccc1 611415014 YXUXWZDFIZXWIO-DOTOQJQBSA-N 286.419 3.700 30 20 CHED Cc1ccc2[nH]c(C(=O)Nc3cccc(C#N)c3C)cc2c1 533220814 BAHKVTDIRPRKOR-UHFFFAOYSA-N 289.338 3.909 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccsc1Cl 614132520 IPCNUUCMMKFYII-VIFPVBQESA-N 255.770 3.582 30 20 CHED C[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)C1CCCC1 455651413 ADZMYROKFCGJMF-CQSZACIVSA-N 298.430 3.822 30 20 CHED CC[C@H](C)CSc1c(C#N)nnc2ccccc12 268089917 KWAVSUAVLFYKJJ-JTQLQIEISA-N 257.362 3.640 30 20 CHED C=C(CNC(=O)[C@H](c1ccncc1)C(C)C)c1ccccc1 360219551 DGRDLSNYJLBJET-SFHVURJKSA-N 294.398 3.651 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 268804382 ZVOXYAOPLNATTP-MJBXVCDLSA-N 286.419 3.823 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1ccccc1Cl)C1CC1 536822047 PJQQMYSCXKXIHX-GFCCVEGCSA-N 277.795 3.696 30 20 CHED CCN(C(=O)[C@@H]1CC[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1 537328184 AGEYDNUIAVOVCR-CKEIUWERSA-N 284.403 3.904 30 20 CHED CO[C@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)C(C)C 360656535 IMXGTJBDYAEMPU-QZTJIDSGSA-N 286.419 3.586 30 20 CHED Cc1cc(CN[C@H]2CSCc3ccccc32)ccc1C#N 618192020 XCDQNSSKYCCISW-SFHVURJKSA-N 294.423 3.944 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(F)cc1[N+](=O)[O-] 618694472 KVTXXMHAOAUBCH-AWEZNQCLSA-N 297.289 3.705 30 20 CHED CCO[C@H](CCNc1nc(C)c(C#N)cc1Cl)C(C)C 360084392 TUFWIGVDMGUHMD-CQSZACIVSA-N 295.814 3.778 30 20 CHED C=CC[C@H](C(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 365030682 SFLVTWKRSFMHRU-ULQDDVLXSA-N 269.388 3.890 30 20 CHED C[C@@H]1C[C@@H](CCN[C@H](C)c2ccc(C#N)c(F)c2)CCO1 273264051 NNMYOWGMNKMBKC-MCIONIFRSA-N 290.382 3.553 30 20 CHED C=CC(C)(C)CNC(=O)NC(C)(C)c1nc(C)c(C)s1 458990247 RBFKBEDMZAWUSM-UHFFFAOYSA-N 295.452 3.506 30 20 CHED C[C@@H](CCNC(=O)N1CCC(CC#N)CC1)c1ccccc1 545961935 WKLSKZRIWDQISW-HNNXBMFYSA-N 299.418 3.515 30 20 CHED CCCCCCCC(=O)N1CCC([C@@H]2CCOC2)CC1 363748374 IIBVMWLHQJYYCT-MRXNPFEDSA-N 281.440 3.622 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)c(Cl)c1 451208880 BKFAWCHRVLAKII-BONVTDFDSA-N 292.766 3.615 30 20 CHED CC[C@H](C)c1nc([C@H](C)Nc2cccc(F)c2C#N)n[nH]1 277480212 SLKWQKNSOHPNAP-UWVGGRQHSA-N 287.342 3.502 30 20 CHED CN(CCC1CCCCC1)C(=O)NCC(C)(C)CC#N 459252616 CHLCUAOKQBCYFW-UHFFFAOYSA-N 279.428 3.538 30 20 CHED CC(=O)[C@@H](C)SCc1ccc(C#N)cc1Br 272131186 WKOYQLXEDJOQSN-SECBINFHSA-N 298.205 3.531 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1cc2ccccc2o1 454513161 IFAXDNPVRAYDLQ-LBPRGKRZSA-N 272.348 3.759 30 20 CHED CC(C)(C#N)CCN1CC=C(c2ccc(F)cc2)CC1 272041119 QZTKNHLWBRDMTP-UHFFFAOYSA-N 272.367 3.855 30 20 CHED CC(C)[C@@H]1CN(C[C@H](C#N)CCC#N)c2ccccc21 278041436 CMMVEKVPAJOEKR-HOCLYGCPSA-N 267.376 3.690 30 20 CHED C=CCN(C(=O)Nc1ccccc1OCC(C)C)C1CC1 540129701 NEJPWSGCDFTPQR-UHFFFAOYSA-N 288.391 3.904 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc(Cl)cc2Cl)no1 453181281 RLUSCYIQUWOBKQ-UHLUBPPHSA-N 294.141 3.845 30 20 CHED CO[C@](C)(CN[C@@H]1CCCCc2cc(C#N)ccc21)C1CC1 361002172 IHUUUNUDTQYSSG-RTBURBONSA-N 298.430 3.730 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(F)cc1OC(C)C 272262610 ASWUFECIBVNZJM-LBPRGKRZSA-N 295.354 3.533 30 20 CHED CC[C@H](C)c1cc(C(=O)Nc2cc(C)cc(C#N)c2)on1 456964284 LPUCLZPSICGKTE-NSHDSACASA-N 283.331 3.621 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1cscc1-c1ccccc1 362125967 YDMJCUCAKQGYFM-OAHLLOKOSA-N 284.384 3.693 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 540352511 OJXNMZIHTKJIHT-ZDUSSCGKSA-N 263.381 3.709 30 20 CHED COc1ccc2c(c1)CN(CCCCC(C)(C)C#N)CC2 277753702 PVCIWNUYGDLTDW-UHFFFAOYSA-N 286.419 3.773 30 20 CHED C=C(C)[C@H](CC(=O)Nc1nc(C2CCC2)cs1)OCC 277766065 SFGVDXYLMZHUJZ-ZDUSSCGKSA-N 294.420 3.720 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)c1cccs1 272543746 SABSINWNEVZIPD-ZDUSSCGKSA-N 289.400 3.702 30 20 CHED C=CC[C@@H](C)N[C@@H](COC)c1cccc(C(F)(F)F)c1 540168986 JBGHNDZUTAYNBV-RISCZKNCSA-N 287.325 3.947 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)CCC1CCCCC1 540397104 IFTZRRXGSLDMKR-HOCLYGCPSA-N 253.430 3.510 30 20 CHED C=CCC1(NCCc2nc3ccccc3n2C)CCCCC1 625934973 HYGZPJBSWGEYCF-UHFFFAOYSA-N 297.446 3.984 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCc2sccc21 370804113 WMLSORJKLIOILY-CQSZACIVSA-N 296.395 3.987 30 20 CHED C=CCN(C(=O)[C@@H]1SCCc2ccccc21)C(C)(C)C 622944056 BWWSEXYNTJJYGE-OAHLLOKOSA-N 289.444 3.830 30 20 CHED C=CC[C@H](CC)NCc1ccc(OCC2CC2)cc1 466385348 DKRKQCIJHRUFMU-INIZCTEOSA-N 259.393 3.920 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)c1ccc(OC)cc1 464517406 DXYXLMBLTUUNCB-DOTOQJQBSA-N 287.403 3.756 30 20 CHED C#CCCCC(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F 288426213 XSFXJJDCNMQYDT-NSHDSACASA-N 299.292 3.758 30 20 CHED CC#CCCSCc1ccccc1OC(F)F 462355617 GBCNIJQCINUXMO-UHFFFAOYSA-N 256.317 3.935 30 20 CHED Cc1cccc(-c2cnc(NC(=O)CC(C)(C)C#N)s2)c1 288706420 NYAHMCDHYFZOPW-UHFFFAOYSA-N 299.399 3.997 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 464752368 PHXPHEZWAGJBAG-IUCAKERBSA-N 287.190 3.928 30 20 CHED CSc1ccccc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 282235933 ITKNOARTNQZQOF-YNEHKIRRSA-N 260.406 3.751 30 20 CHED C=CCC[C@@H](C)NCc1c(F)cccc1SC 552323708 OZWRQVGTJISULS-LLVKDONJSA-N 253.386 3.992 30 20 CHED CCCOc1ccccc1NC(=O)c1cc(C#N)oc1C 280650503 WAZZOEMCCYHWND-UHFFFAOYSA-N 284.315 3.501 30 20 CHED COc1ccc2cc(NC(=O)NCCCCC#N)ccc2c1 287197474 LMYGLAOLIHBIGW-UHFFFAOYSA-N 297.358 3.664 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H]1CCCCC12CCCC2)OCC 462981983 SKSZRQNWRICLJU-HZPDHXFCSA-N 293.451 3.977 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Cl)c(O)c(OCC)c1 281623674 GAVMAGWELQQZRH-NSHDSACASA-N 297.782 3.529 30 20 CHED C=C[C@@H](CC(=O)NC[C@H]1CCC(F)(F)C1)c1ccccc1 280746584 PORNZDBQRYPYCM-KBPBESRZSA-N 293.357 3.898 30 20 CHED CC(C)C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 464707887 FJIIMTNYPNQQNY-HOTGVXAUSA-N 286.419 3.871 30 20 CHED C=CCCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 280143248 RBAUAPQKRWFSHJ-UHFFFAOYSA-N 271.364 3.575 30 20 CHED CCc1cccc(CSc2ccc(C#N)cn2)c1 468457033 AUZAFLSENPPODX-UHFFFAOYSA-N 254.358 3.808 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@H](C)c1ccccn1 287531849 XNVYPNAEXCPSPZ-OAHLLOKOSA-N 289.423 3.921 30 20 CHED C=CCOCCN1CC[C@H](Sc2cccc(Cl)c2)C1 550105714 TWPRUPZLVPVDAU-HNNXBMFYSA-N 297.851 3.709 30 20 CHED C=CCCCCCCNC(=O)N[C@H]1CCO[C@H](C(C)C)C1 805254055 YWBGRSFCSZROKP-HOTGVXAUSA-N 296.455 3.626 30 20 CHED C=CCCOC(=O)c1ccc(Cl)c2ncccc12 801442818 KGPRHAZMDGBABF-UHFFFAOYSA-N 261.708 3.621 30 20 CHED C#C[C@@H](NCc1cc(C(F)(F)F)ccc1F)C(C)C 809685517 XZMZUYGAOJTQMS-CYBMUJFWSA-N 273.273 3.592 30 20 CHED C=CCC[C@@H](NC(=O)C#CC)c1ccc(C(F)(F)F)cc1 801176996 BJCKEDGFBOPJTG-CQSZACIVSA-N 295.304 3.852 30 20 CHED C=CCN(CC[C@H](O)c1ccccc1)Cc1cccs1 808705571 KUFYBPXMRLZANN-KRWDZBQOSA-N 287.428 3.860 30 20 CHED C=CCCCCCCNC(=O)N1CCS[C@H](C)CC1 806004652 JWBCOHFWQFQXDB-CQSZACIVSA-N 284.469 3.660 30 20 CHED Cc1cc(CSCCO[C@H](C)C#N)c2ccccc2n1 802752480 QVYKQLZPORBGEL-CYBMUJFWSA-N 286.400 3.705 30 20 CHED C#CCCCC(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 293863212 GQTQVPFTDKDNEU-ZDUSSCGKSA-N 295.304 3.873 30 20 CHED Cc1cccc2c1[C@H](OC(=O)C1(C#N)CCCCC1)CCO2 292131086 CXEWDAYONPVULL-OAHLLOKOSA-N 299.370 3.836 30 20 CHED C=CCCCC(=O)N[C@@H](C)COc1c(C)cccc1C 479557448 SWPFNXHBSHDOJW-HNNXBMFYSA-N 275.392 3.543 30 20 CHED CC[C@@](C)(C#N)C(=O)OC/C=C\c1ccc(Cl)cc1 803783274 ZDKDSBXPZBVWCX-XVWMLYKFSA-N 277.751 3.836 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](OC)[C@H](C)CC)CCCC1(C)C 477121869 OCBYSZVZTAOYPR-ILXRZTDVSA-N 281.440 3.641 30 20 CHED COc1cc(COC(=O)[C@@]2(C#N)CC23CCCC3)ccc1C 297812173 SIJODRNNWSLDSM-SFHVURJKSA-N 299.370 3.521 30 20 CHED CC(C)[C@H]1N(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1(C)C 292753640 WZROWYLCJAWKSX-CZUORRHYSA-N 299.418 3.695 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccoc2C(C)C)cc1 290164820 KBUYOAVOUORMAU-INIZCTEOSA-N 296.370 3.960 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC1(c2cccc(C#N)c2)CC1 560260750 FUBAZYQIZIPRDP-ZIAGYGMSSA-N 254.377 3.738 30 20 CHED Cc1cc(Cl)cc(C)c1/C=C\C(=O)c1ccnc(O)c1 806556529 VODVOFIEKHXPQZ-ARJAWSKDSA-N 287.746 3.954 30 20 CHED C=CCCCCCCNC(=O)NCC1(CC)CCOCC1 805378243 OODPYNDDKDDTBD-UHFFFAOYSA-N 296.455 3.629 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](C)C[C@H](C(=O)O)C1 398833418 IDWGQJOJVBDBFI-GJZGRUSLSA-N 297.439 3.696 30 20 CHED CCN(C[C@H](c1ccccc1)C(C)C)C[C@@H](C)C#N 474146987 ZQYBBRNIDIXRKS-RDJZCZTQSA-N 258.409 3.908 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cc(F)ccc1Cl)OCC 801038851 VGQJFYYWPIMOFG-GFCCVEGCSA-N 286.730 3.756 30 20 CHED CC[C@@H]1CN(CCCC#N)CC[C@H]1c1ccccc1 472251820 VRGLBHRHSNRLHG-NVXWUHKLSA-N 256.393 3.806 30 20 CHED CCCC[C@H](CCC)NC(=O)NCc1ccc(C#N)cc1 475065959 UBCNCAZRAFHLRC-INIZCTEOSA-N 287.407 3.716 30 20 CHED C=C(C)CN(C)C(=O)c1cc(-c2ccccc2Cl)on1 479277523 LPJIKIFJNNXGKK-UHFFFAOYSA-N 290.750 3.643 30 20 CHED CCOc1ccc(C(C)=NOC2CCC2)cc1OCC 812235974 FITPSBMWCUNSSH-UHFFFAOYSA-N 277.364 3.777 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 817503590 GDDJBWDENKOSLD-UHFFFAOYSA-N 293.313 3.746 30 20 CHED CCOc1ccc(NN=Cc2scnc2C2CC2)cc1 814983904 HZVWGDURUGBWNR-UHFFFAOYSA-N 287.388 3.865 30 20 CHED C[C@@H]1SCCC1=NNc1cccc(C(F)(F)F)c1 814689793 GGLQFYUTBMEZTB-QMMMGPOBSA-N 274.311 3.999 30 20 CHED CO[C@](C)(C=NNc1cccc(Cl)c1)C1CC1 814693458 QXSZDXXPVLCSCR-CYBMUJFWSA-N 252.745 3.553 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(C#N)s2)CC1 487059908 PAKGQLOLLRFHEE-LBPRGKRZSA-N 290.432 3.908 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(OCCC)c1 810106131 PNRKAWMMTMROBW-UHFFFAOYSA-N 293.366 3.638 30 20 CHED C=CCC(F)(F)C(=O)N(CCC)Cc1ccc(F)cc1 814942277 RRCUQEIYKBUDMF-UHFFFAOYSA-N 285.309 3.776 30 20 CHED C(=NN(Cc1ccccc1)c1ccccc1)[C@@H]1CCOC1 812372568 LMNYLJPPJHRUSU-KRWDZBQOSA-N 280.371 3.716 30 20 CHED C=CCCCCOC(=O)c1cnc2c(cnn2C(C)C)c1 811011304 RGGVAHIXJNXDTO-UHFFFAOYSA-N 287.363 3.525 30 20 CHED C=CCOc1ccccc1-c1nc(-c2nc(C)cs2)no1 570603551 ULSAZWIZKIHCTR-UHFFFAOYSA-N 299.355 3.733 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)c1cccc(C)c1 488872651 HDFAHEMPBQVGFT-HOCLYGCPSA-N 257.377 3.666 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1c(C)cnn1C 812232994 PKMSASVLIWENQJ-UHFFFAOYSA-N 270.380 3.606 30 20 CHED Cc1coc2ccc(NC(=O)NCC3(CC#N)CC3)cc12 571143911 MUWCMUJIHAIXQB-UHFFFAOYSA-N 283.331 3.557 30 20 CHED CC1(C)Cc2cc(/C=C/c3ncccc3C#N)ccc2O1 486081291 YMTQMKKMEGXWFT-FNORWQNLSA-N 276.339 3.837 30 20 CHED C=CCOCCCN(C)[C@H](CC)c1cccc(OC)c1 578361848 CUGSWHHWHMDLFP-QGZVFWFLSA-N 277.408 3.671 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(-c2csnn2)cc1 1345654021 UGMCJDLJMCCNBU-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C#Cc1ccccc1Cc1nc([C@H](C)C(C)(C)C)no1 810297030 FCNDWMSWZFOGFY-LBPRGKRZSA-N 268.360 3.791 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cc(Cl)ccc1C 810021854 OJTWMIMAPLPFBA-UHFFFAOYSA-N 283.758 3.811 30 20 CHED C#CC[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ccccc1 816558817 MCTFPYYFPWZXTQ-BEFAXECRSA-N 279.383 3.677 30 20 CHED C#C[C@H](NC(=O)c1ccc(C(C)C)nc1CC)C(C)(C)C 816702137 ZTAKFJZTUVWBDS-INIZCTEOSA-N 286.419 3.545 30 20 CHED Cc1nc2scc(C3CC3)n2c1C=NOC/C=C/Cl 811670667 YKHDPSDOCZYMKC-RUANNFRDSA-N 295.795 3.685 30 20 CHED C#Cc1ccccc1CC(=O)N(C)c1ccccc1SC 813037793 GHCMYAMWNLZHFQ-UHFFFAOYSA-N 295.407 3.595 30 20 CHED Cc1cccc(NC(=S)N(CCC#N)CC2CC2)c1C 728791241 BMOUQZPYBABHKN-UHFFFAOYSA-N 287.432 3.626 30 20 CHED CCC(=NO[C@H]1CCCCO1)c1ccccc1OC(F)F 814887440 IMNVUYWDEJFXSA-AWEZNQCLSA-N 299.317 3.945 30 20 CHED Cc1cc(C(=O)NC[C@H](C)C#N)sc1-c1ccccc1 577408951 LLEHRENYICTMGG-LLVKDONJSA-N 284.384 3.613 30 20 CHED N#C[C@@H](C(=O)C[C@H]1C=CCC1)c1cc(C(F)(F)F)ccn1 813211440 KNGAELIKBJVETC-CMPLNLGQSA-N 294.276 3.633 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@@H]1[C@H](C)CCC 810604866 AAPUXLLOXDEHON-CRAIPNDOSA-N 283.415 3.638 30 20 CHED COc1ccccc1C=NNc1ccc(OC(F)F)cc1 726427362 WCQSRPQCXAYJBN-UHFFFAOYSA-N 292.285 3.743 30 20 CHED COc1ccccc1N(C(=O)c1ccc(C#N)cc1)C(C)C 484912889 RLRDFZJUZLOXKM-UHFFFAOYSA-N 294.354 3.622 30 20 CHED C=C[C@H]1CCCCN1Cc1ncc(-c2cccs2)o1 489466631 YSFVJXVPHUYGLK-LBPRGKRZSA-N 274.389 3.944 30 20 CHED Fc1ccc2[nH]cc(C=NNCCCc3ccccc3)c2c1 729146439 XGJYRUOZFVYGMB-UHFFFAOYSA-N 295.361 3.863 30 20 CHED CCCC[C@H]1CCCC1=NNc1nc(-c2ccncc2)no1 727257057 CWABLMPETXVPKV-LBPRGKRZSA-N 299.378 3.890 30 20 CHED C=CCN1CCC(NC2CCC3(CCCC3)CC2)CC1 572531522 XWDDTKIPPPATIT-UHFFFAOYSA-N 276.468 3.729 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cc2ccccc2nc1O 820068316 ORHKLRXYAJJENE-UHFFFAOYSA-N 285.343 3.586 30 20 CHED COc1ccc(C=NNc2cccc3cnccc23)cc1 728431728 AJIZSMUSFDFGBP-UHFFFAOYSA-N 277.327 3.689 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1nc(C)cs1 663950174 IHLSQNOTHMGAAZ-NSHDSACASA-N 281.425 3.557 30 20 CHED C=CC[C@H](C)N[C@@H](C(=O)O)c1ccc(Cl)cc1Cl 825660089 SAZOZTFCPQOXDZ-QPUJVOFHSA-N 288.174 3.673 30 20 CHED CC[C@@H](Cc1cccs1)NCC(C)(C)CCC#N 588232196 ZTJFNBNVZGUXHG-ZDUSSCGKSA-N 264.438 3.989 30 20 CHED C[C@@H](Nc1cnn(C2CCC2)c1)c1ccc(C#N)cc1 901667193 MERHGRIHXXMKMP-GFCCVEGCSA-N 266.348 3.653 30 20 CHED N#Cc1ccc(OC(=O)OCC2CCCCC2)cc1 820739229 IBDWKYORFJFOTA-UHFFFAOYSA-N 259.305 3.654 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2ccncc2)C1 583543656 IGAUHMKUJZCXCH-RDTXWAMCSA-N 277.371 3.504 30 20 CHED C=CC[C@H](NC(=O)c1ccc(C)c(C)c1)c1ccncc1 734235246 ZVWIQEWGKATORS-KRWDZBQOSA-N 280.371 3.746 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cncn2C(C)C)cs1 901490166 NMFBPYHYALJJCI-AATRIKPKSA-N 289.404 3.940 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCc1cc(C#N)ccc1F 734057520 ZNIUVFWMTJWIKL-LBPRGKRZSA-N 289.350 3.957 30 20 CHED C=CC[C@H]1CCCN(Cc2nc3ccccc3nc2C)C1 661377609 QKZOCVRURZRRHW-HNNXBMFYSA-N 281.403 3.726 30 20 CHED Cc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)c(C)c1 580617048 PQZSGNKCYDECFY-INIZCTEOSA-N 256.393 3.818 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C3CCC3)n2CC=C)C1 669073379 MRKYMRNKWFLOKN-AWEZNQCLSA-N 286.423 3.524 30 20 CHED C=C(CNC(=O)N1[C@H]2CC[C@H]1CC(C)C2)c1ccccc1 664899630 JIHRLIYFNGOXAY-IRXDYDNUSA-N 284.403 3.672 30 20 CHED C=CC[C@@H](C)N[C@H](C(=O)O)c1cccc(Cl)c1Cl 833371323 SDCMCWPOYWGWTK-PELKAZGASA-N 288.174 3.673 30 20 CHED N#C[C@H]1CC[C@H](Sc2nc3ncc(Cl)cc3o2)C1 901670988 BIKXNTAHYQRUOH-CBAPKCEASA-N 279.752 3.661 30 20 CHED CC1(C)CCCN(Cc2cc(F)c(F)c(F)c2)[C@H]1C#N 580753991 ZNBSDQIGVRWAQY-ZDUSSCGKSA-N 282.309 3.618 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cncn1C(C)C 901473880 DVLFTJWWZSHYMW-PLNGDYQASA-N 260.362 3.730 30 20 CHED C#CCOc1ccc(NC(=O)CCSCCCC)cc1 739562424 DCESNUGTFYSMRX-UHFFFAOYSA-N 291.416 3.561 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1SC(F)(F)F 735066644 ULDOSSJZVAZCGN-VIFPVBQESA-N 289.322 3.993 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccoc1C 665702875 XUQRJJXXCRXQPU-QGZVFWFLSA-N 298.386 3.575 30 20 CHED CCC(COC)=NNc1ccc(Cl)c(Cl)c1 735970739 HEOUWKVCQCIQTC-UHFFFAOYSA-N 261.152 3.818 30 20 CHED CCCCCCCC(=O)OCCc1cscn1 837438976 XCWSPGCHZCLMRS-UHFFFAOYSA-N 255.383 3.589 30 20 CHED N#Cc1ccc(NCCCc2ccccc2F)cc1[N+](=O)[O-] 582818087 ADBZFODBCZRLSS-UHFFFAOYSA-N 299.305 3.650 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1noc(-c2ccccc2)n1 835338479 UQAUOBQOGXPBNC-LLVKDONJSA-N 286.331 3.553 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(C)cc2OC)c1 834904392 XRQPNQAVKMTXEU-OAHLLOKOSA-N 279.383 3.836 30 20 CHED C=CCCC1(c2nc(-c3ccc(F)cc3)no2)CC1 581214236 DQMVLDDOCWEHLF-UHFFFAOYSA-N 258.296 3.874 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](CC)c1ccc(F)cc1F 835174431 FTXUJRSIRKXHFB-SNPRPXQTSA-N 296.313 3.550 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C(/C)CCC 732021581 SELZETCOYVBCGW-OWBHPGMISA-N 273.376 3.614 30 20 CHED CC(C)c1ccc(NN=C2C[C@H](C)n3ccnc32)cc1 835018287 KXMRTOGPKQTONN-LBPRGKRZSA-N 268.364 3.787 30 20 CHED C[C@](C#N)(NC(=O)C=C(C1CC1)C1CC1)C1CCCCC1 734238477 BLSDOBCCNLBEKC-GOSISDBHSA-N 286.419 3.712 30 20 CHED Cc1cc(NN=C2CCC[C@@H]2c2ccccc2)nc(C)n1 732528762 XQSPPZPXHKLWEZ-OAHLLOKOSA-N 280.375 3.829 30 20 CHED C=CCC[C@H](NC(=O)c1cc(OC)ccn1)c1ccccc1 676438489 YOPPARJNLFFERF-INIZCTEOSA-N 296.370 3.528 30 20 CHED C#CC(C)(C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C 733978540 FZLRNUUOAMHSTE-UHFFFAOYSA-N 294.398 3.544 30 20 CHED Cc1cccc2c1CCCN2Cc1ccc(F)cc1C#N 734000826 BJRUDHPKNVPJDR-UHFFFAOYSA-N 280.346 3.959 30 20 CHED N#CC[C@@H](Cc1nc(C2CCC2)no1)c1ccccc1 589090240 LFDQVUKDYGXQSG-AWEZNQCLSA-N 267.332 3.577 30 20 CHED N#Cc1cnc2ccccc2c1N1CCC[C@H](C2CC2)C1 588855186 WJHKOWBVOUWXLU-AWEZNQCLSA-N 277.371 3.733 30 20 CHED C=C(CNC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1 672479343 NITXHNAMUFBAKX-SFHVURJKSA-N 291.394 3.936 30 20 CHED C[C@@H](CC#N)OC(=O)c1cc2c(s1)-c1ccccc1OC2 733710632 FWEDBNXTNRRQAQ-JTQLQIEISA-N 299.351 3.766 30 20 CHED COCCCON=C(C)c1c(C)oc2ccccc12 834980134 SEXDLFYROZQLPK-UHFFFAOYSA-N 261.321 3.518 30 20 CHED CCCCCCCCNC(=O)NCCC(C)(F)F 836374748 RSCCEIRWAPKKFJ-UHFFFAOYSA-N 264.360 3.691 30 20 CHED C=CCCN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 839652827 QEAMIEPHKXZOFR-LLVKDONJSA-N 292.232 3.503 30 20 CHED CCc1nc(C#N)cc(SCc2cc(C)ccc2C)n1 596117110 VIHLFYCEBHBBRR-UHFFFAOYSA-N 283.400 3.820 30 20 CHED C#CC1CCN(C(=O)Nc2cccc(C(C)C)c2)CC1 831103792 IDCFRRIDEXDQMG-UHFFFAOYSA-N 270.376 3.687 30 20 CHED CC[C@H](NC1CC2(CCC2)C1)c1ccc(C#N)cc1 593719399 CXVAVDZRBCYYIM-INIZCTEOSA-N 254.377 3.932 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H]2CCC[C@H](C)C2)cc1 742860675 CMZJTFDEELIGOX-UONOGXRCSA-N 274.360 3.983 30 20 CHED CC(C)(C)c1ccc(COC(=O)c2cc(C#N)c[nH]2)cc1 748223208 SJWNVFCSCUUNFT-UHFFFAOYSA-N 282.343 3.541 30 20 CHED CC(C)=CCCSCC(=O)Nc1ccc(C#N)cc1 596422361 MJZAYMADTPUYPP-UHFFFAOYSA-N 274.389 3.586 30 20 CHED C[C@@H](CC1CCCC1)NCCc1ccc(C#N)cc1 595056237 SEDLCFTUYNHJFI-AWEZNQCLSA-N 256.393 3.659 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc(Cl)nc2)o1 743450564 MUTAXYVANCQOLU-CABZTGNLSA-N 275.739 3.897 30 20 CHED CC(=O)c1ccc(C#N)cc1NCCC1CC(F)(F)C1 840314938 PYUNJYWDUUDJPI-UHFFFAOYSA-N 278.302 3.608 30 20 CHED C=CCOc1ccc2c3c(c(=O)oc2c1)CCCCC3 916592177 NKDXCKDNILLUAY-UHFFFAOYSA-N 270.328 3.627 30 20 CHED CCCC[C@H](CC)CC(=O)N1CCC[C@H](CC#N)C1 597909629 OMSBJWANFUAADV-LSDHHAIUSA-N 264.413 3.745 30 20 CHED CC(C)[C@H]1CCC[C@@H]1NCCc1ccc(C#N)cc1 595055386 CDHVAQNAPNVIEZ-SJORKVTESA-N 256.393 3.515 30 20 CHED C=CCN(C(=O)c1oc2c(F)cccc2c1C)C(C)C 914682977 YUWXFPHZJIGAMH-UHFFFAOYSA-N 275.323 3.917 30 20 CHED CCCc1nnc(S)n1N=Cc1ccccc1C(C)C 848411996 XAQRDMVZFGXPMC-UHFFFAOYSA-N 288.420 3.525 30 20 CHED C=CC[C@@H](NC(=O)c1cc(C)cc(F)c1)c1ccncc1 742676972 MIHKEINIKQNWKC-MRXNPFEDSA-N 284.334 3.576 30 20 CHED CC(=NNc1ncccc1Cl)c1ccccc1F 917549535 RRIDMLMGWWQKPE-UHFFFAOYSA-N 263.703 3.710 30 20 CHED N#Cc1ccc(SC2CCSCC2)c(F)c1 917092420 NFVKOBYZZTXLJB-UHFFFAOYSA-N 253.367 3.685 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCF 597186030 DKEFWHDONKAWPY-NSHDSACASA-N 280.368 3.769 30 20 CHED c1ccc(CON=C2CCN(C3CCCC3)CC2)cc1 917546273 RHAGXVVOFWKPRV-UHFFFAOYSA-N 272.392 3.598 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 594061088 BKYKYZBUMSQFBO-XOKHGSTOSA-N 298.430 3.678 30 20 CHED CC#CCOC(=O)c1ccccc1Oc1ccccc1 744622988 OTJCBGZTUKKPRZ-UHFFFAOYSA-N 266.296 3.659 30 20 CHED C=C[C@H](C)ONC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 846556129 YEPHZCSFJNZNFL-HZSPNIEDSA-N 273.376 3.598 30 20 CHED N#CCCCCOC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 747516998 PUDOCTVWZUAVQK-ZIAGYGMSSA-N 277.751 3.681 30 20 CHED CCC#C[C@@H](C)Sc1nnc(-c2ccccc2)o1 677130859 IMOOLPVNAATYJN-LLVKDONJSA-N 258.346 3.631 30 20 CHED Cc1c(F)cccc1-n1cc(CC2(C#N)CCCCC2)nn1 594649078 BCWVWKZJTXQIQX-UHFFFAOYSA-N 298.365 3.731 30 20 CHED CC(C)C[C@@H](NC(=O)N1CCC[C@H](C#N)C1)c1ccccc1 913909750 JZDAAZBDJRCXDF-NVXWUHKLSA-N 299.418 3.719 30 20 CHED CCc1nn(C)cc1/C=C1/Sc2cc(C)ccc2C1=O 841486221 CBKWMSOYUOSTPV-OVCLIPMQSA-N 284.384 3.620 30 20 CHED N#CC[C@@H]1CCCN([C@@H]2CCCc3ccccc32)C1 595613288 ABKRKZHDVNXBQN-WMLDXEAASA-N 254.377 3.690 30 20 CHED C=C(C)CONC(=O)Nc1ccc(C)c(C(F)(F)F)c1 844496237 HMTBXSFJEBEIPA-UHFFFAOYSA-N 288.269 3.643 30 20 CHED C=C(C)CNC(=S)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 741861235 DAZRHMCAHYCOSQ-GOEBONIOSA-N 288.460 3.563 30 20 CHED C=C(C)CONC(=O)Nc1ccccc1SC(F)F 844493013 MCOPJWBIVNWFAQ-UHFFFAOYSA-N 288.319 3.631 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)CC#N)c1c(Cl)cccc1Cl 591169295 IBIVYZAEFUCIRI-NXEZZACHSA-N 299.201 3.857 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C/c1c(O)cccc1OC 749929809 FRONNWANSLYPCQ-TZTGZAOLSA-N 293.432 3.884 30 20 CHED C=CCC1(NC(=O)c2ccc(Cl)c(C#N)c2)CCCC1 598297076 VPJSYBOZUYKKGZ-UHFFFAOYSA-N 288.778 3.830 30 20 CHED N#Cc1cccc(-c2ccccc2OC[C@H]2CCOC2)c1 592986461 OHELXKIQMPEOPZ-HNNXBMFYSA-N 279.339 3.641 30 20 CHED C[C@H]1CN(CC2(C#N)CC2)CCc2ccc(Cl)cc21 593065541 DKGDMJSABAPQKU-LBPRGKRZSA-N 274.795 3.605 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cc(C)on2)c(C)c1 849248494 TUZDYFYUBUWMTN-VURMDHGXSA-N 271.316 3.586 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC(C)=C(C)C1 843578203 BRZXOPHACABIRX-CYBMUJFWSA-N 287.325 3.537 30 20 CHED C=CCCCOC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C 847655212 AIXYGZKLIBTGDL-LBPRGKRZSA-N 290.407 3.659 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(C(F)F)cc1F 847902436 UVJMVUMADLOQCU-UHFFFAOYSA-N 285.265 3.860 30 20 CHED C=CCC[C@H](CCC)NCc1cc(C2CC2)nn1C 927100614 ZSMWCBFVNLUUDT-AWEZNQCLSA-N 261.413 3.522 30 20 CHED C=C(C)CONC(=O)Nc1ccc(CC)c(Cl)c1 844660651 NLKKGXBVEIXVEX-UHFFFAOYSA-N 268.744 3.532 30 20 CHED C#CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(C)C 928628661 AQYGXFXJZDWPCJ-AWEZNQCLSA-N 297.320 3.593 30 20 CHED CC(=O)c1cccc(COC(=O)CC2(C#N)CCCCC2)c1 849907192 WVAFEUUUXMOURP-UHFFFAOYSA-N 299.370 3.797 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(O)cc1 682405561 VNJJTCMCJFEPEP-UHFFFAOYSA-N 267.372 3.623 30 20 CHED Cc1cc(F)ccc1/C=C1\Oc2ccc(F)cc2C1=O 750911062 XCTVEJVUQOXUBQ-CHHVJCJISA-N 272.250 3.889 30 20 CHED CCCCc1nnc(S)n1N=C[C@H]1CCCC(C)(C)C1 752721954 JHVGQAMBMUMOPC-LBPRGKRZSA-N 294.468 3.960 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc(Cl)cs1 757979802 KJYOOOVJVCWMCD-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCC[C@@H](NC(=O)N1CC(C)(C)C1)c1ccccc1 683989272 NFQGWUYWTJZRJN-OAHLLOKOSA-N 272.392 3.745 30 20 CHED C=CC[C@H]1CCCCC1=NNc1ccc(Cl)nn1 853259432 DXAPNPCYHHXCLX-JTQLQIEISA-N 264.760 3.664 30 20 CHED C#CCOCCN[C@H](Cc1ccccc1)c1sccc1C 753767706 LWIKDMKJVPBRSI-QGZVFWFLSA-N 299.439 3.580 30 20 CHED C=CC[C@H](NC(=O)NCC1(CC)CCC1)c1ccncc1 752980835 QFILYWYYZVUPDO-HNNXBMFYSA-N 287.407 3.578 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2C[C@@H]2c2cccc(F)c2)c1 921261375 MWFMTXNHSBYDMB-HVVUQACZSA-N 285.318 3.515 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CCc2ccccc21 929744988 OZVIBCZFMIOQKR-GOSISDBHSA-N 290.366 3.626 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1nc2ccccc2s1 754717521 ULLPIPFDQVIJPT-NSHDSACASA-N 273.405 3.887 30 20 CHED C=CCCN=[S@](=O)(c1ccc(F)cc1)C(F)(F)F 853725164 MKFYGCJHCAKSTP-SFHVURJKSA-N 281.274 3.749 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccc(Cl)cc1[N+](=O)[O-] 766450553 OCZPMUPUOFFJBD-CYBMUJFWSA-N 297.742 3.605 30 20 CHED C=C(Cl)COc1cc(OC)ccc1Br 762988961 CTPCSCATQXXSNL-UHFFFAOYSA-N 277.545 3.589 30 20 CHED COc1cc(C#N)ccc1COC(=O)CC1=CCCCC1 766887407 OZDNTQGRLHFIJQ-UHFFFAOYSA-N 285.343 3.501 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 935464154 KTWVVZLLXAXETC-UONOGXRCSA-N 274.408 3.532 30 20 CHED CN(Cn1nc(Cl)c2ccccc21)c1ccc(C#N)cc1 769655370 ZHUISUIYMDODDL-UHFFFAOYSA-N 296.761 3.655 30 20 CHED C#CCCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 769228468 ATOCYEZAYZOTEY-UHFFFAOYSA-N 275.342 3.857 30 20 CHED CCC/C=C/C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 769641240 VMFDUFBDJDIYSS-BQYQJAHWSA-N 276.424 3.958 30 20 CHED CC[C@@H](CC#N)OC(=O)CCc1ccc(Cl)c(F)c1 860695497 WEGRQYITMCUUIX-NSHDSACASA-N 283.730 3.647 30 20 CHED Cc1cc(OC(=O)[C@@H](C)c2cccs2)ccc1C#N 765114062 RHPBUBYMCBBQSQ-NSHDSACASA-N 271.341 3.637 30 20 CHED CC(C)Oc1ccccc1C(=O)Oc1ccc(C#N)cc1F 769737618 CDGYXVVLKZFSMM-UHFFFAOYSA-N 299.301 3.704 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccsc1 769829510 RNVXXYUISJCDQA-UHFFFAOYSA-N 279.296 3.632 30 20 CHED C#CCCCCCC(=O)Nc1cccc(OC)c1C 862776745 OIYPLTXIIDCTLE-UHFFFAOYSA-N 259.349 3.526 30 20 CHED Cc1cccc(NN=Cc2cc(F)c(F)cc2F)c1 767743317 IADJBOQOEWBBIS-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C=CCOCCOC(=O)c1ccc(-c2cccs2)s1 1117745229 ITCUSWNFSJAMGX-UHFFFAOYSA-N 294.397 3.836 30 20 CHED C#C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 775573333 HEEMTIRIMIYNKT-UGFHNGPFSA-N 297.320 3.537 30 20 CHED C=CCC[C@H](NC[C@H](O)c1c(F)cccc1Cl)C1CC1 773010873 HGSUVFLPJBDPHB-GJZGRUSLSA-N 297.801 3.847 30 20 CHED Fc1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 774608725 UFDMHMMWYDAKOT-BHDSKKPTSA-N 266.747 3.591 30 20 CHED N#CC1(COC(=O)CCc2ccc3ccccc3c2)CC1 775853480 WLHUOLQRRVVIFH-UHFFFAOYSA-N 279.339 3.619 30 20 CHED CSc1ccc(C)c(C(=O)OCCC(C)(C)C#N)c1 776371436 GNHMWVKZHLZKKM-UHFFFAOYSA-N 277.389 3.814 30 20 CHED C=CCN(Cc1coc(-c2cccc(OC)c2)n1)C(C)C 877975786 JUKRVWVDTYTHSO-UHFFFAOYSA-N 286.375 3.747 30 20 CHED CC(=NOC1CCCCC1)c1ccc([N+](=O)[O-])cc1 777457425 UQSQDZGUHPYDAW-UHFFFAOYSA-N 262.309 3.668 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1cnn(C)c1C 778534788 YVBSXRGNQBWQCO-UHFFFAOYSA-N 296.296 3.583 30 20 CHED FC(F)(F)C1CCC(C=NOC2CCOCC2)CC1 774437215 OKXIXMNAAZTTJF-UHFFFAOYSA-N 279.302 3.537 30 20 CHED Cc1cc(F)ccc1C(=O)OCc1ccc(F)cc1C#N 771407880 UEJPHRBOISRTNR-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1 774569369 DRVDYQUZBSEICE-UHFFFAOYSA-N 289.375 3.681 30 20 CHED Cn1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)n1 773151529 AMSWQVBRKNOMLI-FPLPWBNLSA-N 278.311 3.576 30 20 CHED C#CCOc1cccc(Cl)c1CNCC(C)(C)SC 778172840 PRRYEPWVGPUPRS-UHFFFAOYSA-N 297.851 3.583 30 20 CHED C=C(C)CN(C)C(=O)/C=C\c1ccccc1OC(F)(F)F 778457263 MVIQVXRAUJICCF-HJWRWDBZSA-N 299.292 3.633 30 20 CHED CCOCCON=C(C)c1ccc(SC(F)F)cc1 774439174 UFSSHOIXJQJABD-UHFFFAOYSA-N 289.347 3.778 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(OC(F)F)c(OC)c1 880746494 CTXVKUCSGRQVKV-UHFFFAOYSA-N 299.317 3.837 30 20 CHED N#CCc1ccccc1CC(=O)OCCCc1ccsc1 783198633 BLLOMQUKRAXABP-UHFFFAOYSA-N 299.395 3.533 30 20 CHED CCC(CC)CNN=Cc1ccc2cnccc2c1 782271608 HPSOPDYFSHRBST-UHFFFAOYSA-N 255.365 3.595 30 20 CHED C/C=C(/CC)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887701961 RBEXTURLYDRFDW-CQPUUCJISA-N 282.387 3.621 30 20 CHED O=C(Nc1ccc(C(F)(F)F)cc1)[C@H](F)C(F)(F)F 788123301 FQJQYATXIRNMJN-ZETCQYMHSA-N 289.150 3.544 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O 787311973 ZKWRTVBFPMHGHW-CYBMUJFWSA-N 281.783 3.595 30 20 CHED C#CCCN(C[C@H](C)c1ccc(F)cc1)CC(F)(F)F 783677163 UXNYKWFOLMTERS-LBPRGKRZSA-N 287.300 3.817 30 20 CHED N#Cc1ccc(C2CCN(C(=O)C3CCCCC3)CC2)cc1 887707661 WAAXKAMSOJPHAE-UHFFFAOYSA-N 296.414 3.845 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)NC1CC(C)C1 782973911 NFUPDTNIHOXQBD-UHFFFAOYSA-N 288.391 3.504 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(Cl)ccc2F)c1 103032168 ZXCGZHTUPOJCOF-UHFFFAOYSA-N 287.721 3.737 30 20 CHED Cc1ccncc1/C=C/C(=O)O[C@@H](C)c1cccc(C#N)c1 784865429 SMWFLSNBKFOEAH-UZYOAWRESA-N 292.338 3.579 30 20 CHED CCCc1ccc(COC(=O)CC(C)(C)C#N)cc1 785077087 HXJZWXXNYKIOCH-UHFFFAOYSA-N 259.349 3.622 30 20 CHED C=CCCCCCOC(=O)C(C)(C)c1cccnc1 784483140 ULJKVVMQOMIBBA-UHFFFAOYSA-N 261.365 3.649 30 20 CHED Cc1cc(/C=C\C(=O)c2cncc(F)c2)cc2cccnc12 783710223 COJXXPDNLVUCCI-PLNGDYQASA-N 292.313 3.973 30 20 CHED Cc1cc(C)c(C=NNc2ncncc2Cl)cc1C 780282649 IPUWTKVIEQUOQM-UHFFFAOYSA-N 274.755 3.501 30 20 CHED CCC(C[C@@H](C)CC)=NN[C@H]1CCOC(C)(C)C1 780253376 SZHPPBXERVJVSG-JSGCOSHPSA-N 254.418 3.736 30 20 CHED C=C1CCC(c2nc(-c3cncc(Cl)c3)no2)CC1 896773664 LGZJFCSVCBERPR-UHFFFAOYSA-N 275.739 3.999 30 20 CHED CC[C@H](NCCCC#N)c1cccc(Br)c1 273298746 UJHLZVCFBKIGBX-ZDUSSCGKSA-N 281.197 3.794 30 20 CHED C#CC[C@H](OC(=O)c1ccc2nccc(C)c2c1)C1CC1 797113355 MCGAEQWHWMJXPK-KRWDZBQOSA-N 279.339 3.502 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1coc(C(C)C)n1 799484099 UAQPRVYWFKYBNF-UHFFFAOYSA-N 291.782 3.965 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H]2CC(C)C)cc1C#N 799596098 HDZODCPHOIZFLT-MRXNPFEDSA-N 270.376 3.517 30 20 CHED Cc1nsc(NCc2ccccc2Cl)c1C#N 92912205 KHRFTRHXFSNZLG-UHFFFAOYSA-N 263.753 3.589 30 20 CHED N#Cc1ccc2cc(Cl)c(C(F)(F)F)cc2n1 95835723 AECPXTVFQYJOTD-UHFFFAOYSA-N 256.614 3.779 30 20 CHED C=C1CC(c2noc(Cc3coc4ccccc34)n2)C1 896876932 MMBLISMDOIMKQP-UHFFFAOYSA-N 266.300 3.840 30 20 CHED O=C(/C=C/c1c(F)ccc(O)c1F)c1ccnc(Cl)c1 794946071 MUUVTXSJOWOSLU-HNQUOIGGSA-N 295.672 3.615 30 20 CHED CC(C)n1ccc(COc2ccc(C#N)c(Cl)c2)n1 190251064 FIINOHXILLRFLO-UHFFFAOYSA-N 275.739 3.568 30 20 CHED CC(CCc1ccc(F)cc1F)=NOCC(F)F 794929725 ZFVSPXUZOFNFEY-UHFFFAOYSA-N 263.234 3.555 30 20 CHED O=C1/C(=C/c2ccsc2Cl)CCc2nc(O)ccc21 790221822 HULKATMBLIYZMS-BQYQJAHWSA-N 291.759 3.715 30 20 CHED CC[C@](C)(NCc1ccc(C#N)c(C)c1)C(F)(F)F 559001149 DNBFJIAYBIKNHT-ZDUSSCGKSA-N 270.298 3.687 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)OCC(=O)c1cccc(C#N)c1 796327186 SKGVSQNTOLFIPF-GOEBONIOSA-N 299.370 3.501 30 20 CHED C=CCNN=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 794999477 GQDIIOXZELKHRO-UHFFFAOYSA-N 296.214 3.834 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ccnn2C(C)C)c(O)c1 799894683 BSJBPIYIJFFJFU-AATRIKPKSA-N 284.359 3.683 30 20 CHED C#C[C@H](CCC)/N=C\c1c(O)ccc2ccccc12 790100664 XJNIIGFRBREOKX-IIMQCXAKSA-N 251.329 3.766 30 20 CHED CCCCCCCS(=O)(=O)N1CC[C@@H]1c1ccccc1 799760428 JETXHGPYFYKLGM-MRXNPFEDSA-N 295.448 3.734 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@H](C)c1ccc(CC)cc1 791200756 ACCHAIHVICTPGY-WMLDXEAASA-N 271.404 3.661 30 20 CHED CC[C@H](C)CON=Cc1c(C(C)C)nc2sc(C)nn12 793158410 FKHWVFZKYUMQSN-JTQLQIEISA-N 294.424 3.619 30 20 CHED Cn1nccc1[C@H]1CCCC(=NN[C@H]2CCCC2(C)C)C1 790298605 MZSXABAVSKRDJU-BBRMVZONSA-N 288.439 3.602 30 20 CHED CC(C)C[C@@H](C)COC(=O)c1c(F)cc(C#N)cc1F 798634505 UXZVEMCKOUDOSN-SNVBAGLBSA-N 281.302 3.675 30 20 CHED Cc1cc(C=NNc2cccc(Cl)n2)c(C)n1C1CC1 793174645 MCLDDMGYXNQWJI-UHFFFAOYSA-N 288.782 3.934 30 20 CHED C=CCCCCCOC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 795823022 GMVPTLXAEKALAM-KRWDZBQOSA-N 296.370 3.530 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)ncn3C)oc1C 799895733 CYTHBFZBPORCAR-ALCCZGGFSA-N 280.327 3.679 30 20 CHED COc1ccc2oc(/C=C\C(=O)c3ccnc(F)c3)cc2c1 794720615 GUNZFVXXHVRLET-RQOWECAXSA-N 297.285 3.872 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 1141615598 MHTCQAYBIGPSEB-CYBMUJFWSA-N 279.343 3.545 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)CCc1ccccc1 695816607 PFZYZBBUHIIUCK-CABCVRRESA-N 258.409 3.926 30 20 CHED CC(=O)c1ccc(Oc2cc(C)ncc2C#N)cc1Cl 1307216998 VJRVOXSGMATENX-UHFFFAOYSA-N 286.718 3.910 30 20 CHED CCN(C[C@H](C)CCC#N)[C@@H](COC)Cc1ccccc1 1308621260 GHXUTAVOABUFOL-SJLPKXTDSA-N 288.435 3.506 30 20 CHED C=C(CNC(=O)N1CCC[C@H]1CCC)c1ccccc1 1229643507 OAYPRCWPKQFBRR-MRXNPFEDSA-N 272.392 3.674 30 20 CHED C=C1CCN(C(=O)c2ccc3cc(OC)ccc3c2)CC1 1318356694 OHQLIOQKNHHVLP-UHFFFAOYSA-N 281.355 3.641 30 20 CHED Oc1ccccc1/C=N\Cc1cccc(Cl)c1F 1318755113 KMTUEUOOSHDYAA-IUXPMGMMSA-N 263.699 3.804 30 20 CHED CC1CC(CSc2nc3c(cc2C#N)CCCC3)C1 1643619124 VYQSFIPXZSCNBS-UHFFFAOYSA-N 272.417 3.970 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)cc(OC)c1 1324923979 UDUDRMJPRKTGTF-NSHDSACASA-N 280.343 3.701 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@H](CC)c1ccc(C)cc1 1324382804 OKGWRQPIEJKCLS-KRWDZBQOSA-N 283.415 3.751 30 20 CHED CCC[C@@H](NCc1ccc(C#N)c(C)c1)C1CCC1 1664973206 AHXJDJFKVWZBNB-QGZVFWFLSA-N 256.393 3.925 30 20 CHED Cc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)cc1 1252608369 QXANHSKHBLHTKW-UHFFFAOYSA-N 261.284 3.584 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cccc(C2CCC2)c1 1337580962 ONNZWGLPGKTDTJ-MRXNPFEDSA-N 270.376 3.718 30 20 CHED CCSCc1ccc(Nc2ncccc2C#N)cc1 1186469846 HVJILMJCZODITN-UHFFFAOYSA-N 269.373 3.950 30 20 CHED COc1cc(C#N)ccc1NC(=O)C1C[C@H]2CCC[C@H](C1)C2 1339139175 IBRCSVJXYVTRRR-STQMWFEESA-N 298.386 3.722 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccc(SC)c(OC)c1 1338400827 ROZSOLLDSINSJP-UHFFFAOYSA-N 293.432 3.732 30 20 CHED CC(C)c1ncc(C=NNCc2ccc(F)cc2)s1 1333356270 COYISNVWZALRHG-UHFFFAOYSA-N 277.368 3.529 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H](C)c1cccs1 1335398102 PDQOSCYXQXVWHO-NWDGAFQWSA-N 251.395 3.870 30 20 CHED CCCC(CCC)C(=O)N[C@H](C#N)C1CCCCC1 211822947 UUUDIEZGSKKJNK-OAHLLOKOSA-N 264.413 3.791 30 20 CHED COc1ccc([C@H](C)OC(=O)c2cccc(C#N)c2C)cc1 1339980287 XPFWQGBIKCCSNN-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED C=CCN(C(=O)NCCc1c[nH]c2ccc(C)cc12)C(C)C 1347082740 VJVBCXWIHPWOQU-UHFFFAOYSA-N 299.418 3.625 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CC[C@@H](CC(C)C)C1 1343523411 MWYYVGVOXLMOGF-LBPRGKRZSA-N 298.381 3.664 30 20 CHED N#CCCCC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 1343629688 JPFQPTXNZPOWJS-UHFFFAOYSA-N 299.305 3.645 30 20 CHED CCCCO[C@H]1C[C@H](Nc2cccc(CC#N)n2)C1(C)C 1342843973 RTTYLCWFZYCDNH-GJZGRUSLSA-N 287.407 3.543 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(C(C)C)nc1O)C(C)(C)C 1345577303 BESUDGQQLUPBEQ-CQSZACIVSA-N 289.375 3.505 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccc(C(F)F)cc2)c1 1436644080 KZRANTMYXMPVKA-UHFFFAOYSA-N 290.244 3.887 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C2CCC2)cc1 1355088547 LNMARHUIEZNVGM-INIZCTEOSA-N 270.376 3.718 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)[C@H](CC#N)c2ccccc2)C1 1352586363 JWPZWRLAEBXAFC-VNQPRFMTSA-N 271.360 3.806 30 20 CHED Cc1ccc2c(CCC(=O)O[C@@H]3CC[C@H](C#N)C3)c[nH]c2c1 1516749046 HGNKDXCQLAJPRF-DZGCQCFKSA-N 296.370 3.644 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccsc1C(F)F 1525222593 XTELLOZBCDYKCP-MRVPVSSYSA-N 273.304 3.781 30 20 CHED C=CCN(C(=O)c1ccnn1[C@H](C)CC)c1ccccc1 1520012833 BDOGJIDTIPKRNS-CQSZACIVSA-N 283.375 3.687 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(C(=O)O)co1 1602842528 JJHZNZCSSFPGRR-BBRMVZONSA-N 299.370 3.816 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2cccnc2c1 1531959956 WMRNNYZSPJFIIJ-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC[C@H](Sc1cncc(C#N)n1)c1ccccc1 1472726217 WOVWBDBMHUVQBI-ZDUSSCGKSA-N 255.346 3.592 30 20 CHED N#Cc1cccnc1S[C@H]1CCOc2ccccc21 1559135029 UJUIZPNHYFOBKH-AWEZNQCLSA-N 268.341 3.569 30 20 CHED C=C(Br)CSc1ccccc1OC 120948123 JRTUJQMELGZNOP-UHFFFAOYSA-N 259.168 3.696 30 20 CHED N#Cc1ccc(C=C(Br)Br)cc1 142189200 MNYZLXYRSKJQIM-UHFFFAOYSA-N 286.954 3.646 30 20 CHED C#C[C@@H](CC)NCC(c1ccccc1)c1ccccc1 229892461 VLTJBGZTYUFBME-SFHVURJKSA-N 263.384 3.820 30 20 CHED CC(=O)c1cc(F)cc(F)c1OCc1ccc(C#N)s1 1640906791 VOILJFLKYWXMEQ-UHFFFAOYSA-N 293.294 3.680 30 20 CHED COc1ccc([C@@H](C)Sc2ccnc(C#N)c2)cc1 1655035949 KBGOVFYFFMFENW-LLVKDONJSA-N 270.357 3.815 30 20 CHED Cc1ccccc1C[C@@H]1CCCN1C[C@H](C)CCC#N 1658987252 YUDGJNOGJUFDTE-QAPCUYQASA-N 270.420 3.942 30 20 CHED N#Cc1cnc(NCc2cccc3ncccc23)c(Cl)c1 1652204286 GWZBBEXXHUOYDH-UHFFFAOYSA-N 294.745 3.767 30 20 CHED Cc1ccc(C#N)c(NCC2(c3ccccc3F)CCC2)n1 1655635298 IIMNMVNGYOOURZ-UHFFFAOYSA-N 295.361 3.935 30 20 CHED C=C(Br)CN[C@H]1CCCC[C@H]1CCC 1654232021 RKLPJEBRVIUWIK-NEPJUHHUSA-N 260.219 3.844 30 20 CHED N#Cc1ccc(F)c(NC(=O)N[C@@H]2CC23CCCCC3)c1 1672122675 WJPFFWCOSOCBDV-CQSZACIVSA-N 287.338 3.542 30 20 CHED C=C[C@@H]1CCCN([C@@H](C(=O)O)c2ccc(F)cc2Cl)C1 1776150360 KLDDNQJMHXTKQX-QMTHXVAHSA-N 297.757 3.503 30 20 CHED C[C@@H]1CCCCCC1=NNc1ccc(C(=O)O)c(F)c1 1776075932 NSPVNSQLWAJTLK-SNVBAGLBSA-N 278.327 3.892 30 20 CHED C=C(CNC(=O)N[C@H](CCC)C1CCC1)c1ccccc1 1682940574 BXTYRHRKRXNMMH-QGZVFWFLSA-N 286.419 3.968 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1cnsc1C 1776784480 SPFFRQLGNFSULZ-CQSZACIVSA-N 298.452 3.745 30 20 CHED C=CCSCCC(=O)Nc1ccccc1C(F)(F)F 161798462 ZPCRQMPRAKWRRE-UHFFFAOYSA-N 289.322 3.953 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 160940526 GNPXLEGWLXUKSF-GHMZBOCLSA-N 284.186 3.789 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(OCCC)cc1 163367702 OCWWSLOMCRVLGL-LBPRGKRZSA-N 253.773 3.879 30 20 CHED CCC1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 151470218 ACICMTLSEZIARA-KRWDZBQOSA-N 299.418 3.863 30 20 CHED C#CCCOc1ccc(CNc2ccc(N(C)C)cc2)cc1 157695403 DLBATIMMVONNGO-UHFFFAOYSA-N 294.398 3.767 30 20 CHED C#CCCCCNC(=O)C[C@H](C)c1ccc(CC)cc1 156301240 GBBRTRUFXXAKBH-HNNXBMFYSA-N 271.404 3.662 30 20 CHED C=C[C@H](C)NC(=O)c1sccc1-c1ccccc1 155841365 GSMZDLGYXIQFDU-NSHDSACASA-N 257.358 3.719 30 20 CHED C=CCC[C@H](NC(=O)C1=CCCC1)c1ccccc1 154243265 DAKWOARCUYMTHD-INIZCTEOSA-N 255.361 3.920 30 20 CHED Cn1cc(/C=C2/CCCC(C)(C)C2=O)c(-c2ccncc2)n1 159020564 UYIRKTQMHLUVRB-KAMYIIQDSA-N 295.386 3.645 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2ccc(O)cc2)c1 209250373 ORIKKOLYKITEEK-BAQGIRSFSA-N 252.313 3.905 30 20 CHED Cc1ccc(C)c(OCCOc2ccc(C#N)cc2)c1 11896453 JWJAECZMAGXQGL-UHFFFAOYSA-N 267.328 3.633 30 20 CHED COc1cccc2c1CC[C@@H]2N[C@H](C)CC(C)(C)C#N 925272192 SHXIKMGTMYNHSX-DOMZBBRYSA-N 272.392 3.600 30 20 CHED CCN(CC1CC(C)C1)[C@H](C)c1ccc(C#N)cc1 1190476554 WFDDYPIXDFLAET-NPCAHTBFSA-N 256.393 3.987 30 20 CHED C[C@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 251591266 XSIKPIFBZCPDKQ-PYTWLRIVSA-N 254.377 3.645 30 20 CHED COc1cc(C)nc(COc2cc(Cl)ccc2C#N)c1 168879765 BSFBOSCTXUOGJI-UHFFFAOYSA-N 288.734 3.503 30 20 CHED C=CCCCCN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 463274032 BWQFUHRJFJJXPX-MJGOQNOKSA-N 286.463 3.985 30 20 CHED C[C@H](CCC1CC1)Nc1nc(C(F)(F)F)ccc1C#N 346170887 CHTNGTLHICURNC-SECBINFHSA-N 283.297 3.963 30 20 CHED C=CCCCCN[C@H]1CCCN(Cc2ccccc2)C1 309748109 VDJQNCCNQYKWIA-SFHVURJKSA-N 272.436 3.597 30 20 CHED CC(C)(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 405790231 SKKVDTQSPXFGBW-UHFFFAOYSA-N 276.767 3.976 30 20 CHED C=CCC(C)(C)CNc1c(F)c(F)nc(F)c1F 311037017 FSHVQHOYWVDNLD-UHFFFAOYSA-N 262.250 3.652 30 20 CHED C=C(Br)CN(C)[C@H]1CC[C@@H](SCC)C1 76069752 LPPCMBUHNGBKSY-WDEREUQCSA-N 278.259 3.501 30 20 CHED CCC1(CC)CN(c2nc(C(F)(F)F)ccc2C#N)C1 312454682 AMAWJKRHGWTDHY-UHFFFAOYSA-N 283.297 3.598 30 20 CHED C=C(CC)CNCc1ccc(OC(F)F)c(OCC)c1 313534898 KVMJKYWQQBHTJS-UHFFFAOYSA-N 285.334 3.743 30 20 CHED CCCc1sc(C(=O)NCC2(CC#N)CC2)cc1CC 431145424 YHKWRGYYLVABAE-UHFFFAOYSA-N 290.432 3.687 30 20 CHED N#Cc1ccnc(N(Cc2ccccc2)C2CC2)c1Cl 341744583 PHRPGHJLSHFEAB-UHFFFAOYSA-N 283.762 3.776 30 20 CHED Cc1nc(C)c([C@@H](C)NCCc2cccc(C#N)c2)s1 343527006 ZURHKJFZZNNYEV-LLVKDONJSA-N 285.416 3.525 30 20 CHED CC[C@@]1(C)CCN(c2nc(C(F)(F)F)ccc2C#N)C1 343603421 NEPOMPOXJNXOHQ-ZDUSSCGKSA-N 283.297 3.598 30 20 CHED C=CCN(CCC)Cc1c(C(=O)O)sc2ccccc12 382491110 DOUCTAVNMLLZBL-UHFFFAOYSA-N 289.400 3.998 30 20 CHED Cc1ccsc1C(=O)Nc1ccc(Cl)cc1C#N 695703414 FFIGJMIHMGIHAO-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C(F)F)cc1 386312205 MEARCDLTYQELEO-CYBMUJFWSA-N 252.264 3.503 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(C(F)(F)F)c1F 393817290 DWVFOGOCMFKYAU-VIFPVBQESA-N 289.272 3.929 30 20 CHED C=CCN(CC[C@H](C)OCc1ccccc1)C(C)C 789310877 WQYFDKVQMGLHFX-INIZCTEOSA-N 261.409 3.878 30 20 CHED CC(C)(C)c1ncc(CN2CCCC(C)(C)[C@H]2C#N)s1 446978708 YTENFPJABGQVRX-CYBMUJFWSA-N 291.464 3.955 30 20 CHED CCCc1ccc(NC(=O)COc2ccccc2C#N)cc1 7690103 YHLAGKZFZDKTFD-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(OCCC)c(OC)c1 102231322 JTIXNVXYRWPEGA-CYBMUJFWSA-N 291.391 3.627 30 20 CHED C[C@H](CC(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1 57462703 CXGAAHMJHFJSPJ-CYBMUJFWSA-N 296.345 3.507 30 20 CHED Cc1cccc2c(CCC(=O)O[C@H](C#N)C(C)C)c[nH]c12 176799235 ACOQQTGIPQDQJL-OAHLLOKOSA-N 284.359 3.500 30 20 CHED C[C@@H](NC(=O)C1CCCCCC1)c1ccc(C#N)cc1 101812443 OEOZBKDDMFYYDT-CYBMUJFWSA-N 270.376 3.706 30 20 CHED CN(Cc1ccc(-c2ccccc2C#N)cc1)CC(F)F 103488429 BQRWPKBTDXSKQQ-UHFFFAOYSA-N 286.325 3.922 30 20 CHED C[C@H]1CCC[C@H]1CNc1ncc(Br)cc1C#N 310093137 SNCFREQRQIUJHG-UWVGGRQHSA-N 294.196 3.564 30 20 CHED CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 61799796 LZEMGHJYRQPFKU-UHFFFAOYSA-N 268.335 3.719 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccsc2)cc1OC 118677573 YHPLVDOQWRPJGE-UHFFFAOYSA-N 289.356 3.574 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(COC)cc1 174534612 VSCMQNRTPAWEEO-UHFFFAOYSA-N 299.345 3.596 30 20 CHED Cc1nc(C(C)(C)NCc2ccc(C#N)s2)sc1C 176973074 XTFDGIGNCNLDKO-UHFFFAOYSA-N 291.445 3.718 30 20 CHED N#Cc1ccc(NCCOc2cccc3ccccc23)cn1 301507632 JKWWLEJTDVORAL-UHFFFAOYSA-N 289.338 3.597 30 20 CHED C[C@H](NCCCCC#N)c1ccc(OC(F)(F)F)cc1 112543782 UDLIDQZVOFWPEI-NSHDSACASA-N 286.297 3.930 30 20 CHED C=CC[C@H](C)NC(=O)CCCCCc1ccc(OC)cc1 116849641 MFXKTGBEKYRKRE-HNNXBMFYSA-N 289.419 3.879 30 20 CHED Cc1cccc(CNC(=O)c2cccc(SCC#N)c2)c1 175569611 CZLXRYWNSYNBOX-UHFFFAOYSA-N 296.395 3.541 30 20 CHED N#Cc1nccnc1N1Cc2ccccc2-c2ccccc2C1 301195039 TZYBECWDVBCRBY-UHFFFAOYSA-N 298.349 3.535 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(C(C)=O)cc2)c1 110246341 DMTUCVYXACHDOL-UHFFFAOYSA-N 295.338 3.706 30 20 CHED CCc1ccccc1C(=O)N[C@@H](C#N)c1ccccc1Cl 179546580 XUWJFEPZLAKGAD-INIZCTEOSA-N 298.773 3.897 30 20 CHED CCCN(C)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 63888699 ZXDNHGQZMXNQPU-UHFFFAOYSA-N 293.370 3.657 30 20 CHED C=CCN(Cc1cccs1)C(=O)Cc1cccs1 60677761 IYRWWYOLECJQDX-UHFFFAOYSA-N 277.414 3.567 30 20 CHED C[C@@H](CN(CCC#N)Cc1ccccn1)c1ccccc1 178389059 KBDOAHYNOLLRAK-INIZCTEOSA-N 279.387 3.601 30 20 CHED N#CCCN1CC=C(c2ccccc2C(F)(F)F)CC1 127620252 SGHXGPWJYDDZOD-UHFFFAOYSA-N 280.293 3.708 30 20 CHED Cc1cccc(CC/N=C(/N)Nc2cc(C)cc(C)c2)c1 303865823 BTYYWUWORXPUTQ-UHFFFAOYSA-N 281.403 3.581 30 20 CHED CN(CCC#N)Cc1nc(-c2ccccc2Cl)cs1 187140452 PAJBNLRLKLAWIO-UHFFFAOYSA-N 291.807 3.809 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)CC2=CCCCC2)cc1 34997199 SJFKSJADDXAODB-UHFFFAOYSA-N 293.388 3.531 30 20 CHED CC[C@H](CC#N)N[C@H](C)c1cccc(Br)c1 38012422 BSGFRRXTEIGWNO-ZWNOBZJWSA-N 281.197 3.792 30 20 CHED C=CCCCC(=O)N(c1cccc(F)c1)C1CCOCC1 180984343 DBZPZWYUUKMOQJ-UHFFFAOYSA-N 291.366 3.694 30 20 CHED C=CCN(CCc1scnc1C)Cc1ccccc1F 74351465 JMMQEVSOTPCJBP-UHFFFAOYSA-N 290.407 3.821 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1)c1cncc(F)c1 78023106 DDIJZKSWBKIHCT-ZZXKWVIFSA-N 261.683 3.770 30 20 CHED N#Cc1ccc(CN2CCc3c([nH]c4ccccc34)C2)s1 180017805 MLPIWAVAMJDMHI-UHFFFAOYSA-N 293.395 3.659 30 20 CHED C#Cc1cccc(NC(=O)C[C@H](C=C)c2ccccc2)c1 128334552 LDRIOJTWRMLBKP-INIZCTEOSA-N 275.351 3.966 30 20 CHED CCCCN(CCCC)C(=O)c1sccc1C#N 128055439 IVJCKBBVVCTYFE-UHFFFAOYSA-N 264.394 3.662 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)cc1)C(C)(C)c1ccccc1 76173405 PVDIYDSYEUMMSK-CQSZACIVSA-N 292.382 3.654 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)c1cccc(O)c1 181090096 LTMBRSMERLEGBE-UONOGXRCSA-N 290.407 3.839 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 412282824 CHEQTVFFFBOUFS-GDBMZVCRSA-N 299.414 3.898 30 20 CHED CC(C)(CCC#N)CNCc1ccc(Cl)s1 126647305 GKWNCWPULXKXNU-UHFFFAOYSA-N 256.802 3.821 30 20 CHED C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)[C@H](C)[C@@H]1C 418133746 NVXIWBQKGZPEFF-BZUAXINKSA-N 286.419 3.845 30 20 CHED CSc1ccc(OCCN(CC#N)C2CCCC2)cc1 75752101 UEEKFZODNWIUET-UHFFFAOYSA-N 290.432 3.555 30 20 CHED C#Cc1cccc(N(C(=O)c2ccc(Cl)cn2)C(C)C)c1 120117507 IUDGGBGNDKPASE-UHFFFAOYSA-N 298.773 3.772 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(Cl)c(F)c1 218340516 VGPAOBJLGMTFAW-UHFFFAOYSA-N 268.763 3.851 30 20 CHED C[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)[C@H]1C 79528797 XLMXLQCUWUYLAA-STQMWFEESA-N 288.416 3.563 30 20 CHED C#CCN(Cc1cnc(C)s1)[C@@H]1CCc2ccccc21 128043698 LEFQLRMJAPHLGB-QGZVFWFLSA-N 282.412 3.574 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)C(C)(F)F 412839551 LVLQNVVQWHHUSR-TZMCWYRMSA-N 281.346 3.581 30 20 CHED C[C@H](SCC[C@H]1CCOC1)c1cccc(C#N)c1 419459182 CPVYIBFZFSDPQL-QWHCGFSZSA-N 261.390 3.779 30 20 CHED CSc1cccc(C)c1NC(=O)c1cc(C#N)cs1 184599453 YPOMMAYCSHZQRS-UHFFFAOYSA-N 288.397 3.902 30 20 CHED COc1cc(C)ccc1CN[C@H](C)c1ccc(C#N)cc1 124553685 DMSBHJODQLKRJZ-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)c1ccccc1 413651323 XRKTWDHKFZQDIL-CVEARBPZSA-N 272.392 3.888 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC=CCC1 77639380 YPKPYCUKCOMSRN-QGZVFWFLSA-N 284.403 3.535 30 20 CHED CC(C)Oc1ccc(NCc2ccco2)cc1C#N 181526947 SSPPDEQSBZULFN-UHFFFAOYSA-N 256.305 3.551 30 20 CHED CC(C)CCc1noc(CSCC2(C#N)CCC2)n1 419411191 HADJDAMUIYAPQZ-UHFFFAOYSA-N 279.409 3.585 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1nc(C(C)(C)C)cs1 411525557 CFIWDARDLVDGJD-MNOVXSKESA-N 265.426 3.783 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 181655279 DUBQFAIWMSBRGN-UHFFFAOYSA-N 290.260 3.884 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](CC)OC1CCCC1 182651849 FLMHXRPEWXHWCJ-DZGCQCFKSA-N 267.413 3.585 30 20 CHED N#CC1(COc2ccc(Br)cc2F)CCC1 450689144 ZZZLQIMFPRRTTA-UHFFFAOYSA-N 284.128 3.661 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1C(F)(F)F 134874985 XGBAAUJZFGPFIN-UHFFFAOYSA-N 278.661 3.579 30 20 CHED CCn1c(C(=O)O[C@@H](C)C(C)(C)C#N)cc2ccccc21 131335511 LSOUBODBFXMFGT-LBPRGKRZSA-N 284.359 3.756 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2/C=C/c2ccccc2)cn1 503311458 LIIZVMMBKZJYIT-SYJIQKIWSA-N 275.355 3.635 30 20 CHED CCOC[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 411279146 KTXAFGKDRLBFDU-MRXNPFEDSA-N 278.440 3.599 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)NCC2(C#N)CCC2)cc1 419649822 QXMCICMXXDNZAR-MRXNPFEDSA-N 297.402 3.535 30 20 CHED CC[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 40360158 IVFYLADLOPFFMX-SJORKVTESA-N 284.403 3.769 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 509009075 WWHRHILNLWYRAV-NSHDSACASA-N 285.334 3.913 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329613157 CRSXKBZWQQXCGV-BFHYXJOUSA-N 273.380 3.980 30 20 CHED C=C(C)CCN1CCC(c2ccc(OC)cc2)CC1 509667236 QHYLIPFFNRKXQG-UHFFFAOYSA-N 259.393 3.841 30 20 CHED Cc1nnc(N=C(O)C(C)(C)C2CCCC2)n1C1CC1 329049364 KJHAUYFAIQMFHH-UHFFFAOYSA-N 276.384 3.726 30 20 CHED Cc1csc([C@H](/N=C(/O)C2CCC(=O)CC2)C2CC2)n1 329915349 YFSSFMNEPKJSRR-CYBMUJFWSA-N 292.404 3.618 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(OC(F)F)c1 527995888 WGADGMVGEJCIKY-UHFFFAOYSA-N 282.290 3.556 30 20 CHED C=CC[C@@H](C)NC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 136328037 PFDLYNVMQRINPP-ZBFHGGJFSA-N 286.419 3.786 30 20 CHED O/C(=N/C1CC1)Nc1ncc(C2CCCCC2)s1 329481753 VWRZDEQKUDBPSY-UHFFFAOYSA-N 265.382 3.679 30 20 CHED N#Cc1nnc2ccccc2c1NCCCC1CCCC1 226141360 QWNIHGGZPCFPGM-UHFFFAOYSA-N 280.375 3.884 30 20 CHED Cc1noc(CC/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 329154125 UOITVVSJVIJZJP-BFHYXJOUSA-N 291.395 3.626 30 20 CHED CC(C)(NCCOc1ccccc1C#N)c1ccccc1F 429240726 YEMYVJNUNUMHJY-UHFFFAOYSA-N 298.361 3.601 30 20 CHED C=CCNC(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 83019086 TVUYPCIPZRGROS-RYUDHWBXSA-N 280.799 3.659 30 20 CHED C[C@H](Nc1ncccc1Cl)c1cccc(C#N)c1 88726561 ZFUVLSINYPQSQW-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=CCn1cc(CN[C@@H](c2ccc(CC)cc2)C(C)C)nn1 424298457 SJHCXTFHRPOHRY-GOSISDBHSA-N 298.434 3.513 30 20 CHED N#CC1(C(=O)NCCc2csc3ccccc23)CCCC1 193533329 VLZADXSZRLDZMM-UHFFFAOYSA-N 298.411 3.644 30 20 CHED N#Cc1cccc(OCCN2CCC[C@@H]2C2CCCC2)c1 44352378 BIGMQFOPGSHOLV-GOSISDBHSA-N 284.403 3.592 30 20 CHED N#Cc1ccc(CO[C@H]2CCCc3c[nH]nc32)c(Cl)c1 334548928 QHIHZLAAQVEKGF-AWEZNQCLSA-N 287.750 3.529 30 20 CHED CC(=O)c1ccc(NCc2cccc(F)c2C#N)cc1 427510913 DKQLPBKBVBBSGC-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1nc2cc(N=C(O)N3CC[C@H]4CCC[C@@H]43)ccc2o1 330254860 PKKYJZOSWJAEFS-RISCZKNCSA-N 285.347 3.556 30 20 CHED N#CCc1cccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 333225707 XCSWFTVURIGPIF-YQQAZPJKSA-N 297.402 3.843 30 20 CHED Cc1cccc(C(=O)Nc2ccccc2CC#N)c1Cl 335062815 IMBCJOOPYANODG-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C=CCCCCCNc1ccc(C(N)=O)c(Cl)c1 195447607 WMYJVIRHHSFJHD-UHFFFAOYSA-N 266.772 3.597 30 20 CHED CCCC[C@H](C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425105211 DRNZBFRCTXIPGF-UONOGXRCSA-N 272.392 3.904 30 20 CHED N#Cc1ccccc1NC(=O)c1sccc1C1CC1 335906092 HSYYRSOOUGSHKP-UHFFFAOYSA-N 268.341 3.749 30 20 CHED N#Cc1ccc2nc(N3C[C@H]4CC=CC[C@H]4C3)ccc2c1 92916500 JDFFPQCGHVNJLK-IYBDPMFKSA-N 275.355 3.509 30 20 CHED CCC(C)(C)C1CCC(NC(=O)CCCC#N)CC1 330890954 HVNHMICNMJWATK-UHFFFAOYSA-N 264.413 3.791 30 20 CHED C=CCN(C/C=C\c1ccncc1)c1ccccc1 425979653 UIHDYOUBFVQUQW-SREVYHEPSA-N 250.345 3.787 30 20 CHED C=CCCCCNC(=O)c1cccc(C)c1Br 383356456 QOQWBUNSJGCCHV-UHFFFAOYSA-N 296.208 3.844 30 20 CHED CCC1CCC(N/C(O)=N/CC[C@@H]2CCO[C@@H](C)C2)CC1 330818762 DYVCDPQTUWXHBF-JWMHWRSXSA-N 296.455 3.664 30 20 CHED Cc1cccc2c1CN([C@@H](C)c1cccc(C#N)c1)CC2 429568611 QAFLPUSRENRUEE-HNNXBMFYSA-N 276.383 3.986 30 20 CHED CC(C)(CCC#N)CNc1cnn(-c2ccccc2F)c1 92845154 BZKJZCVWDUUPMH-UHFFFAOYSA-N 286.354 3.753 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)Cc1ccccc1 337708432 AZIKTNVWMYGLQD-AWEZNQCLSA-N 284.407 3.614 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/C[C@@H]2CC=CCC2)c1C 331100781 CVOZFCICKCNFIT-GXTWGEPZSA-N 290.411 3.845 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@H](C3CCCC3)C2)c1 333888777 WNKSUYTVNDDEFX-HNNXBMFYSA-N 283.375 3.602 30 20 CHED C=CCOc1ccc(Oc2ncc([N+](=O)[O-])cc2C)cc1 92658451 RPVPYSMMROHNNW-UHFFFAOYSA-N 286.287 3.655 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)c1C 331158267 WHFUDKKLRZTZDB-NTZNESFSSA-N 278.400 3.677 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCC[C@@H](C)C1 512212088 MOAPMTHXMHFIBG-CVEARBPZSA-N 291.435 3.976 30 20 CHED Cc1cccc2cc(C(=O)Nc3cccc(C#N)c3)oc12 148200621 GWIJTYDPHOYQNX-UHFFFAOYSA-N 276.295 3.865 30 20 CHED Cc1cc(OCC(=O)Nc2c(C)cccc2C)ccc1C#N 434644937 IIUVANUMTCCCNM-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CC(C)C[C@H](NC(=O)c1ccc(C#N)o1)c1cccs1 431388405 CYXBWUVHNGFKON-LBPRGKRZSA-N 288.372 3.730 30 20 CHED C=C(CNC(=O)[C@@H](C)c1ccsc1)c1ccccc1 345744174 FMORPOWNJKRQNJ-ZDUSSCGKSA-N 271.385 3.681 30 20 CHED Cc1ccc2c(c1)[C@@H](NCC(C)(C)CCC#N)CC2 348224241 IOINJNYEXSGOFY-INIZCTEOSA-N 256.393 3.902 30 20 CHED C=CC1CCN(C(=O)[C@H](C)Cc2ccccc2C)CC1 528525312 YSRWFVXLDVLXKR-OAHLLOKOSA-N 271.404 3.598 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1[C@@H](C)[C@H]1C1CC1 528286819 ORTLUWSHEWKIHK-KKXDTOCCSA-N 296.414 3.587 30 20 CHED N#CCCCNc1ccnc2c(Br)cccc12 343593618 DPFLZEUDVIOMEV-UHFFFAOYSA-N 290.164 3.713 30 20 CHED C[C@@H](C#N)C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 347058902 CGQSMLOYGHIQSJ-VIFPVBQESA-N 297.339 3.654 30 20 CHED N#Cc1cscc1C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 340197582 KNKVHTPBZVXDEN-ZBFHGGJFSA-N 296.395 3.686 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1 435729777 VNEUTUGYQPCRIQ-JCNLHEQBSA-N 291.354 3.626 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)[C@@H](c2ccccc2)CO1 245751266 NWJUAKYDNOBAPP-CXAGYDPISA-N 298.411 3.582 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H](CCC)C1 432558191 OKBSDTNITOKMCV-AWEZNQCLSA-N 266.429 3.810 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 248388907 AAFXLDFMVZSJJJ-MGPQQGTHSA-N 264.413 3.647 30 20 CHED N#CCC1(CN2CCC(c3ccsc3)CC2)CC1 602816386 IPBUZDFNDMKOEV-UHFFFAOYSA-N 260.406 3.621 30 20 CHED CSc1cccc(F)c1CNc1snc(C)c1C#N 343220781 JNWKWGLGYLISQC-UHFFFAOYSA-N 293.392 3.796 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1c(Cl)nc2ccccn12 255307825 FOVGXFIXHNDGQD-FPLPWBNLSA-N 298.729 3.589 30 20 CHED CCCN(Cc1ccc(F)cc1)C(=O)c1cccc(C#N)c1 346275264 MZBPMJLNJFNOHD-UHFFFAOYSA-N 296.345 3.750 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1CCSc2ccccc21 341654760 RFALCRLDBOXAMR-JSGCOSHPSA-N 275.417 3.737 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1c(Cl)cccc1C#N 435591183 CJNOYSWNGOQGIZ-IUODEOHRSA-N 276.767 3.605 30 20 CHED CC[C@](C)(NC[C@@H](C)CCC#N)c1nc(C)cs1 602545543 FFOSDVOWIFSDCJ-FZMZJTMJSA-N 265.426 3.606 30 20 CHED Cc1ccc(CN2CCCC2)cc1N[C@@H]1CC[C@H](C#N)C1 442857769 NVBLKWYELPVOBZ-DOTOQJQBSA-N 283.419 3.695 30 20 CHED CCSCC[C@H](C)N(C)c1ncc(C#N)cc1Cl 348164134 ARVHDARNLQYXHP-JTQLQIEISA-N 283.828 3.575 30 20 CHED C=CCCN(C)CCC(=O)Nc1cccc2ccccc12 342740791 XPFCWZFQLIYPAT-UHFFFAOYSA-N 282.387 3.676 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 442781624 NDPBTUULNJLZOY-NDBYEHHHSA-N 274.330 3.637 30 20 CHED Cc1cc(-c2cc(C(F)(F)F)nn2CCC#N)c(C)o1 601932296 PCPAFYWBHORQPC-UHFFFAOYSA-N 283.253 3.692 30 20 CHED CCn1c(C(=O)Nc2cccc(C#N)c2)cc2ccccc21 341910491 NVQAHAICDATBTR-UHFFFAOYSA-N 289.338 3.785 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 522647245 BLRCJYOIDMPMFS-AESZEHBQSA-N 276.424 3.791 30 20 CHED C=CCOc1cccc(CN2CCC(SC)CC2)c1 602727614 FBQQLXWSZNPFLA-UHFFFAOYSA-N 277.433 3.579 30 20 CHED CC1(C)CCc2ccccc2[C@H](NCC2(C#N)CC2)C1 440621950 ZZGKBMDXDMMQHI-MRXNPFEDSA-N 268.404 3.984 30 20 CHED CC(C)[C@@H](NC[C@H](C)CCC#N)c1nc2ccccc2[nH]1 602528830 LGRVGQNYDJSPLM-CZUORRHYSA-N 284.407 3.789 30 20 CHED N#CCCCCNC1CC(c2ccccc2Cl)C1 352435821 UUXIPRPCPRFDMC-UHFFFAOYSA-N 262.784 3.869 30 20 CHED N#C[C@H]1CC[C@H](NCCCCOc2ccc(Cl)cc2)C1 442780213 MLPOXMXNQPMEFJ-ZFWWWQNUSA-N 292.810 3.781 30 20 CHED C=CC[C@H](C)NC(=O)N(CCC)Cc1ccccc1F 604900852 RLYSCKMURPRFFW-ZDUSSCGKSA-N 278.371 3.712 30 20 CHED C=C(C)[C@H](Cc1nc(C2CCC(C)CC2)no1)OCC 356217207 KZZXLPOTACIFSE-RUXDESIVSA-N 278.396 3.887 30 20 CHED C=CCCC1(C(=O)NCc2ccccc2COCC)CC1 354393806 QJGOWUGXUGZOAG-UHFFFAOYSA-N 287.403 3.586 30 20 CHED C=CCC1(C(=O)N(C)Cc2cscn2)CCCCC1 448797962 UNLHIFNLKZGGGZ-UHFFFAOYSA-N 278.421 3.628 30 20 CHED COCCN(Cc1ccccc1C#N)[C@@H](C)c1ccccc1 351594098 CAFLIGPENIBWIY-INIZCTEOSA-N 294.398 3.768 30 20 CHED CCCOc1cccc(NC(=O)c2ccc(CC#N)cc2)c1 533927151 XQYQRRWJLMGHMX-UHFFFAOYSA-N 294.354 3.794 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)c1ccccc1Cl 359452655 LFCYDWQNPRMFEM-VIFPVBQESA-N 288.734 3.604 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 449866668 DXGIDCGGCDSFCO-YJBOKZPZSA-N 288.435 3.745 30 20 CHED C=C(CC)CSCc1cc(F)cc2c1OCOC2 539094748 HJKHSTVFLYKMHZ-UHFFFAOYSA-N 268.353 3.892 30 20 CHED C=CCN(CCC#N)C(=O)CC12CC3CC(CC(C3)C1)C2 359439639 AUZXWTMMLLJCSC-UHFFFAOYSA-N 286.419 3.521 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 612241854 FEYQBUBNFAUIAA-IBGZPJMESA-N 292.382 3.535 30 20 CHED C=CCC[C@H](NC1C[C@H](C)O[C@@H](C)C1)c1ccco1 530399668 ACGMNMJLZIAAGQ-YDHLFZDLSA-N 263.381 3.833 30 20 CHED C=C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)OC 619699935 SHHCQQTTXSFKFI-CQSZACIVSA-N 281.311 3.726 30 20 CHED C=CCCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 617615385 JZCVMRUQQVXHFP-IRXDYDNUSA-N 265.356 3.636 30 20 CHED Cc1cc(CNCCCOC2CCCCC2)ccc1C#N 443987283 XGUQIILIBRNCMC-UHFFFAOYSA-N 286.419 3.696 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 618734176 RGTXKHIADIAGRU-DDUZABMNSA-N 296.414 3.878 30 20 CHED C=CCN(C(=O)Cc1ccc(C(C)(C)C)cc1)C1CC1 537933826 NUZNKXWQPNZTAF-UHFFFAOYSA-N 271.404 3.704 30 20 CHED CC1(C)CC[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 358960936 VJTAUNDKTMWMGN-MRXNPFEDSA-N 296.414 3.876 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C(C)(C)C)n[nH]2)c1 619218584 LSPFRDALOWWBQD-UHFFFAOYSA-N 299.374 3.524 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccc(-c3ccc(F)cc3)o2)C1 615649706 BRXGZKANWYRBAK-INIZCTEOSA-N 288.297 3.523 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc2c1CCC2 538332713 KPGBPBYVFGYGAM-ZDUSSCGKSA-N 257.377 3.650 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CC1CC(c2ccccc2)C1 619598538 XUIBRTIPXCLOKZ-BDVYOWHSSA-N 284.403 3.625 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)CSCc1ccccc1 440153023 HFSPBLJKXWQTEN-HNNXBMFYSA-N 291.460 3.981 30 20 CHED N#CCSCCCN1CC[C@H]1c1ccc(Cl)cc1 267361999 PRJNTHPDTGFTJJ-AWEZNQCLSA-N 280.824 3.734 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccn(C(CC)CC)n2)C1 617782743 LWBFHKYKTHSBCQ-AWEZNQCLSA-N 289.423 3.673 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(C3CC3)cn2)s1 531509917 MWVJVXBZGLCXQU-UHFFFAOYSA-N 297.383 3.707 30 20 CHED CC(C)(C)C1CCC(Cn2cccc(C#N)c2=O)CC1 358873834 UJWLNDBQGCJOIP-UHFFFAOYSA-N 272.392 3.572 30 20 CHED C=C[C@H](CC(=O)N1C[C@H]2CCCC[C@H]21)c1ccccc1 365772717 PKDCJTIPOGLHNW-DJIMGWMZSA-N 269.388 3.747 30 20 CHED N#Cc1ccc(C(=O)Nc2ncc(Cl)s2)cc1Cl 614628174 NXDDZULILLCLOJ-UHFFFAOYSA-N 298.154 3.574 30 20 CHED N#Cc1ccc(CN=c2cc[nH]c3ccccc23)cc1Cl 619746657 ITFVWDOSZBTUMR-UHFFFAOYSA-N 293.757 3.794 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCCC2(CCOCC2)C1 266037725 UYCFIIBHUHQJQW-OAHLLOKOSA-N 284.403 3.512 30 20 CHED CCCCS[C@H](C)C(=O)Nc1ccc(F)cc1C#N 267547959 FGSOKOYLYHLFLR-SNVBAGLBSA-N 280.368 3.558 30 20 CHED Cc1cc(C)c2cc(C(=O)N3CCC[C@@](C)(C#N)C3)[nH]c2c1 612251694 QPDAFROJKWNSAI-SFHVURJKSA-N 295.386 3.551 30 20 CHED CC(C)(CCN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 619672489 ZFXRKRDLHKCLAN-GDBMZVCRSA-N 256.393 3.636 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)cc(F)c1OC 540559165 QUAIIDGFGGIBTM-JTQLQIEISA-N 298.333 3.840 30 20 CHED C=CC(C)(C)CNC(=O)CCOc1ccc(F)cc1Cl 456113800 HQGIJVQMVAPKGT-UHFFFAOYSA-N 299.773 3.576 30 20 CHED C=CCOCCCC(=O)N1CCCC[C@@H]1c1ccccc1 273888768 MSBNBXYECNTMJO-QGZVFWFLSA-N 287.403 3.723 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@@H](C)c1cccs1)OCC 270060746 USIHDDXAIZVNPL-STQMWFEESA-N 281.421 3.639 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H]1CCCS1)c1ccc(F)c(F)c1 274594463 BRNMJOYCDOBWRG-KBPBESRZSA-N 297.370 3.594 30 20 CHED CCC1(CC)CCC(NC(=O)c2cc(C#N)[nH]c2C)CC1 451109079 AEZBMPWKHVHLMD-UHFFFAOYSA-N 287.407 3.674 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 363036972 VILBOEHBRUFEPO-QGZVFWFLSA-N 290.366 3.689 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ncc(C(C)(C)C)o1 272390551 CTDVSKDDYMWMNT-LBPRGKRZSA-N 299.374 3.875 30 20 CHED C=C(C)COc1cccc(NC(=O)CC2(OC)CCC2)c1 276585293 HHVKUOJVFBDDFF-UHFFFAOYSA-N 289.375 3.539 30 20 CHED C=CCN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1CC1 544413669 IUCTTYMNUFVOTO-VXGBXAGGSA-N 275.314 3.532 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1csc2ccccc12 274313647 ITYYJVCYSGWBSX-MRXNPFEDSA-N 286.400 3.959 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)Nc1cccc(CC#N)c1 455907733 POOWWIQDPWNUGO-NVXWUHKLSA-N 285.391 3.699 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CC(C)(C)C#N 278175524 BSRWIHLAGHOWLY-ZDUSSCGKSA-N 288.391 3.658 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccccc1OCC 622980749 KRSVEVCFDBWEGA-UHFFFAOYSA-N 261.365 3.560 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)CC1CCCCC1 466325075 KROALADSYIFOOP-AWEZNQCLSA-N 252.402 3.563 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 461732153 YAYKIHHFBNLRGL-HUUCEWRRSA-N 292.382 3.848 30 20 CHED C[C@@H](CC(=O)NC(C)(C)C#N)c1ccccc1C(F)(F)F 542830890 SJPTVQZQOQUCQP-JTQLQIEISA-N 298.308 3.617 30 20 CHED Cc1ccc(C(C)(C)C(=O)Nc2ccc(C#N)c(F)c2)cc1 464645411 DAPFRQJEIOSMBU-UHFFFAOYSA-N 296.345 3.922 30 20 CHED CCC[C@H](C#N)NC(=O)c1nc(C)sc1-c1ccccc1 540919606 ZXMXMDGTEGVVDX-CYBMUJFWSA-N 299.399 3.541 30 20 CHED C=CCC1(CNC(=O)Nc2cccc(N)c2C)CCCC1 625909137 HRBHGCXZHIJSDE-UHFFFAOYSA-N 287.407 3.835 30 20 CHED CCc1cccc2c1N(C(=O)c1cc(C#N)oc1C)CCC2 281013711 RCAZRIBDEFPWQG-UHFFFAOYSA-N 294.354 3.615 30 20 CHED CC(C)Oc1cccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1 282026857 SSKIQADHYBJAGU-SQWLQELKSA-N 272.392 3.817 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(CSC)cc1 288326159 HHFVYUZHTGJWPX-UHFFFAOYSA-N 292.448 3.657 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 286077892 JMKDZBWLROVJDF-GUDVDZBRSA-N 295.426 3.975 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2ccccc2[C@H]1C 466329601 ZQXRUFDXJAPWFI-UKRRQHHQSA-N 272.392 3.670 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H]2CC[C@@H](CC)O2)c1 464926477 LXKVKQJJCCGKAA-GDBMZVCRSA-N 289.375 3.538 30 20 CHED C=C[C@H](C)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 465100448 BHWIMLHMKQHRKK-NSHDSACASA-N 270.376 3.770 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1cccc(OCCC)c1 467993934 MOIUGOXKXFXLCA-GOSISDBHSA-N 289.419 3.736 30 20 CHED C=CCOCCN(Cc1ccsc1)c1ccccc1 555417228 BBXAQCXQDMLFKY-UHFFFAOYSA-N 273.401 3.957 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CCC)CCc1ccccc1 464755055 MHVDZVKJBWYUCT-GDBMZVCRSA-N 274.408 3.662 30 20 CHED C=C(CNC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 286799023 SLTZASMOHRDCSM-AWEZNQCLSA-N 279.330 3.642 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(CC)C[C@@H](C)CC 460552878 ASATXSKSOMALJP-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1NCC1=CCCOC1 288670036 ZGTHTSCUEPHIMB-UHFFFAOYSA-N 299.761 3.518 30 20 CHED Cc1ccc(N(C)CCCC2(C#N)CCOCC2)c(C)c1 282065728 SKISBVSOKZNJIJ-UHFFFAOYSA-N 286.419 3.840 30 20 CHED N#C[C@H]1CC[C@H](NCc2c(Cl)cccc2Cl)C1 558704877 RBLBSZJVAWQIDM-UWVGGRQHSA-N 269.175 3.775 30 20 CHED CC(C)C(Cn1cccn1)=NNc1nccc2sccc12 802710480 WUQGQFCGXNTTAA-UHFFFAOYSA-N 299.403 3.617 30 20 CHED C=CCCCCCCCNC(=O)Nc1ccccn1 809887688 JYNWXHYBAQFGSB-UHFFFAOYSA-N 261.369 3.730 30 20 CHED O=C1/C(=C\c2cccs2)Cc2nc(Cl)ccc21 806578013 KHSOMVAEBSSAAH-VURMDHGXSA-N 261.733 3.619 30 20 CHED CC1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCCC1 556839177 TXNRTBYSOLAQPC-JKSUJKDBSA-N 282.387 3.501 30 20 CHED N#CCCCCCC(=O)OCc1ccc(Cl)s1 805695723 FWCPYAKPONKWQZ-UHFFFAOYSA-N 271.769 3.919 30 20 CHED Cc1ccc2ncc(C#N)c(NC3CC(F)(F)C3)c2c1 291779256 CKUDUXZNLOADSY-UHFFFAOYSA-N 273.286 3.625 30 20 CHED CN(Cc1ccccc1OC1CCCC1)CC(C)(C)C#N 567415728 OJYQBFFLFDBABN-UHFFFAOYSA-N 286.419 3.990 30 20 CHED C=CCCCCCCNc1ccc2nnc(C3CC3)n2n1 804851167 MEVKVRCJXXVMEZ-UHFFFAOYSA-N 285.395 3.550 30 20 CHED CCCN(Cc1c(F)cccc1Cl)C(=O)CCCC#N 292329538 ATNNEASCPSBKTB-UHFFFAOYSA-N 296.773 3.912 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCC[C@@H](F)C1 564903106 GUOMZWOHSGVGIQ-ZJUUUORDSA-N 287.260 3.665 30 20 CHED C[C@H](Cc1ccccc1C(F)(F)F)N(C)CC1(C#N)CC1 561897832 GIYFGRWEAPIICV-GFCCVEGCSA-N 296.336 3.872 30 20 CHED Cc1csc(N(C(=O)CCCC#N)c2ccccc2)n1 291069621 DZHIEPMMWMIINX-UHFFFAOYSA-N 285.372 3.810 30 20 CHED CC(C)CC(=NN[C@@H]1CCSC1)c1ccccc1 808000787 VFKDBMBGHZRHHR-CQSZACIVSA-N 262.422 3.532 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(OC)c(C)cc1C 478581659 FOUTXUDLBPROOR-INIZCTEOSA-N 261.365 3.853 30 20 CHED C=CCCCCCn1nc2c(cc1=O)COc1ccccc1-2 647137240 FNFIQXQFQRTOJZ-UHFFFAOYSA-N 296.370 3.549 30 20 CHED Cc1cccc2c1OC[C@@H](N[C@H](C)c1cccc(C#N)c1)C2 568920796 VRDCXLNDHBYANU-KDOFPFPSSA-N 292.382 3.521 30 20 CHED C=C(C)CN(C)C(=O)[C@H](CC(C)C)c1ccccc1 479238697 FAZBULUNPBHTKB-MRXNPFEDSA-N 259.393 3.851 30 20 CHED CC(C)(C)CCCCC(=O)Nc1cc(C#N)ccc1O 804505595 FAZVLKMIDGFUNA-UHFFFAOYSA-N 274.364 3.809 30 20 CHED C#C[C@H](CC)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 809685902 YKPIYOGEKVPUPN-BXUZGUMPSA-N 269.310 3.810 30 20 CHED C=CC1CCN(c2nnc([C@@H](C)CC)n2C2CC2)CC1 565131110 PDNHCLBYTPSQNI-LBPRGKRZSA-N 274.412 3.529 30 20 CHED Cc1cc(CN(C)CCCOc2ccccc2)ccc1C#N 486794585 DBHMOSXSNKKWNK-UHFFFAOYSA-N 294.398 3.768 30 20 CHED C[C@H](NN=C1CCSc2ccccc21)c1ccncc1 819814913 IBSGHACYDQXPBR-LBPRGKRZSA-N 283.400 3.632 30 20 CHED C#C[C@H](NC(=O)c1occ2c1CCC2)c1ccc(Cl)cc1 811947953 TVZHWLQPTDMJKN-HNNXBMFYSA-N 299.757 3.526 30 20 CHED COCCC(C)=NNC(=S)Nc1ccccc1C(C)C 814829888 NLMWBFVCAYJDJR-UHFFFAOYSA-N 293.436 3.509 30 20 CHED C#Cc1ccccc1CC(=O)OCCSc1ccccc1 811258417 WFSDAZQGBADDQY-UHFFFAOYSA-N 296.391 3.546 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC=CCC1)c1cc(C(F)(F)F)ccn1 813211702 ORNGEYQRWHLFIO-PWSUYJOCSA-N 294.276 3.633 30 20 CHED Clc1ccc(C=NNC[C@@H]2CCSC2)c(Cl)c1 811658594 HHVWVPDPIWTOFD-VIFPVBQESA-N 289.231 3.670 30 20 CHED C=CCC(F)(F)C(=O)OCc1csc(-c2ccoc2)n1 815315221 XPEOZXOPYQHPNQ-UHFFFAOYSA-N 299.298 3.658 30 20 CHED C=CCCCCCSCc1ncnn1CCC 572331112 UPACIHPSYQPTGA-UHFFFAOYSA-N 253.415 3.668 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C 486120751 YUBCYDRBUXBCMU-UHFFFAOYSA-N 290.382 3.893 30 20 CHED N#CCC1(OC(=O)c2ccc3c(c2)CCCCC3=O)CCC1 810858984 UVQCVFFGTLYBEZ-UHFFFAOYSA-N 297.354 3.589 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1scnc1C 814944275 YSMOGSNDYNEYPZ-UHFFFAOYSA-N 285.294 3.705 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 487018435 UUFAPHMQHNRJOI-UHFFFAOYSA-N 286.375 3.709 30 20 CHED C=CCCC(=O)Nc1cc(F)c(F)cc1N1CCCCC1 484886233 OXTMWKOFOBELDL-UHFFFAOYSA-N 294.345 3.860 30 20 CHED C=CCCCCOC(=O)c1c(F)ccc(C)c1F 811009117 QKNBPENWVNHDOU-UHFFFAOYSA-N 254.276 3.786 30 20 CHED CC[C@H](C)Oc1cc(C=NOC2CCC2)ccc1OC 812238466 WHFKEPCPJBYMJP-LBPRGKRZSA-N 277.364 3.776 30 20 CHED CCCCC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)C(C)C 813284322 WNVDQUYZKNCLCU-UONOGXRCSA-N 266.429 3.893 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 483939493 JXILQQLZRMSJSP-OLZOCXBDSA-N 260.356 3.708 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)Cc1ccccc1Cl 819108789 NTINRENRUDRXRY-LBPRGKRZSA-N 279.811 3.990 30 20 CHED CC(Cc1ccsc1)=NNc1ncccc1Cl 729636828 AUAYMWLITHUBQG-UHFFFAOYSA-N 265.769 3.827 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@@H]1[C@@H](C)CCC 810604867 AAPUXLLOXDEHON-MAUKXSAKSA-N 283.415 3.638 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](F)C1 570566472 GTRFFJQLNODRFX-HZPDHXFCSA-N 290.382 3.665 30 20 CHED CCC[C@H](C)CC(=O)O[C@@H](C)c1cccc(C#N)c1 727636001 QJDPYZFBXUHZPS-STQMWFEESA-N 259.349 3.989 30 20 CHED C=CCCc1noc([C@@H]2CCCc3ccc(OC)cc32)n1 656023459 CRSRGNCSGVVSKA-CQSZACIVSA-N 284.359 3.665 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)C#CC(C)C)c1C 828590192 COKGMAZTWKNMMS-KRWDZBQOSA-N 269.388 3.626 30 20 CHED CCCCCCCC(=O)N(C)CCOc1ccccc1 822190903 NJDBVYOXRLJSCJ-UHFFFAOYSA-N 277.408 3.884 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCc1ccccc1 499309843 MPXMSQZXBKVGPE-UHFFFAOYSA-N 293.410 3.877 30 20 CHED CC#CCCNC(=O)Nc1ccc(C(C)(C)C)cc1 497685447 DZFRCHBIQUEVSZ-UHFFFAOYSA-N 258.365 3.519 30 20 CHED CC#CCCCc1nc(-c2ccc(OCC)c(F)c2)no1 579406635 LTEQXRPCXHLRKQ-UHFFFAOYSA-N 288.322 3.620 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@](C)(F)CCCC)c1 825979385 APZCUDJELGVTJA-MRXNPFEDSA-N 261.340 3.549 30 20 CHED C=CCCc1ccccc1NS(=O)(=O)[C@H](C)CCC 575063166 LZEBEYKOUXDVGH-CYBMUJFWSA-N 281.421 3.736 30 20 CHED C=CCC[C@H](CC)NC[C@]1(C)CC1(Cl)Cl 824774795 VGPUQQTZUBHHCM-QWRGUYRKSA-N 250.213 3.905 30 20 CHED C=CCCCNC(=O)CCSc1cccc(Cl)c1 578794230 AWHUVLQNCSXDNO-UHFFFAOYSA-N 283.824 3.905 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1c1c(C)cccc1C 661047438 MEVLXZNKNDCGFP-HNNXBMFYSA-N 272.392 3.726 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC(C)(C)[C@H]1c1cccnc1 820224552 UDIJTQSQJZVBHX-XJKSGUPXSA-N 272.392 3.593 30 20 CHED C/C(=C/C(=O)OCC(C)(C)C#N)c1ccccc1Cl 588418937 OBQFIPAHUSGEDF-FLIBITNWSA-N 277.751 3.836 30 20 CHED CCCC[C@@H](CCC)Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 583516714 JXRXHIQQLDNSJD-GFCCVEGCSA-N 290.367 3.819 30 20 CHED C#C[C@H](NCc1ccc(C)o1)c1ccc(Cl)cc1 491737978 ONGUQZBEIPABFP-HNNXBMFYSA-N 259.736 3.706 30 20 CHED Cc1cc(C(=O)NC(C)(C)C#N)sc1-c1ccccc1 584538217 JPFWFVMNOLSFTP-UHFFFAOYSA-N 284.384 3.756 30 20 CHED CC[C@H](NCc1ccn(C(C)C)n1)c1cccc(C#N)c1 902811687 CUBNOXQPVCLUBV-KRWDZBQOSA-N 282.391 3.577 30 20 CHED Cc1cc(-c2csc(CC#N)c2)ccc1O[C@H]1CCOC1 904753874 MJFILYZXNLRSQT-HNNXBMFYSA-N 299.395 3.957 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(OC)c2)C1 666829251 OGSZSKYAHLXAQA-LBPRGKRZSA-N 292.354 3.654 30 20 CHED N#CC1(CCCCSC(=S)N2CCCC2)CCC1 901401662 IZFISCBHUQRJPK-UHFFFAOYSA-N 282.478 3.964 30 20 CHED CC[C@H](C#N)c1ccc(-c2cccnc2OC)cc1 906547221 YDBFPAMEJNBOOU-GFCCVEGCSA-N 252.317 3.774 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)C(C)C 498101783 NIWRFBNRXOXFPI-AWEZNQCLSA-N 251.414 3.873 30 20 CHED CCCC(=NNc1ccnc(N(C)C)n1)C1CCCCC1 739412422 YPJBBLRFXJXASZ-UHFFFAOYSA-N 289.427 3.691 30 20 CHED C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)CC1(F)F 494266866 BNBKDJJJZMXIFH-GFCCVEGCSA-N 283.749 3.669 30 20 CHED C=CCCCCNC(=O)NC[C@H]1CCCCC(F)(F)C1 490229574 IDLPGVMNXFZKAW-ZDUSSCGKSA-N 288.382 3.858 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)CC=C(Cl)Cl 905234303 ITQUVGRMLAEPMV-MRXNPFEDSA-N 282.236 3.774 30 20 CHED C=CCC1(CNCc2cc(C(=O)O)c(CC)o2)CCCC1 902269750 RJPFMLWVKYVLDB-UHFFFAOYSA-N 291.391 3.766 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1F 830499510 XCDHZBKLHNPOEM-WBMJQRKESA-N 288.366 3.738 30 20 CHED C#CCC[C@H](C)OC(=O)Cc1cccc(C(F)F)c1 839037483 CNYGNKGQOUSBAI-NSHDSACASA-N 266.287 3.512 30 20 CHED CC[C@H](C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730417546 OLIKGWFDOYSJEO-WPRPVWTQSA-N 276.336 3.658 30 20 CHED C=CCCCOC(=O)c1ccn(-c2ccccc2Cl)n1 735534307 KDKBYYPOASTZTH-UHFFFAOYSA-N 290.750 3.649 30 20 CHED Cc1ccc2[nH]c(C(=O)N(O)Cc3ccc(F)cc3)cc2c1 900095833 LASZZLCIEBDELV-UHFFFAOYSA-N 298.317 3.647 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1sccc1C 733745768 UOZMKNQLORKJPA-UHFFFAOYSA-N 275.333 3.801 30 20 CHED C#CCCCCCC(=O)N1CC2(CCCC2)[C@@H]1C(C)C 837190464 JXECNBPOBHQBDS-KRWDZBQOSA-N 275.436 3.997 30 20 CHED Cc1c(C(=O)/C=C/c2cncn2C(C)C)cccc1[N+](=O)[O-] 901481438 NJTDRUDXLWOILN-BQYQJAHWSA-N 299.330 3.577 30 20 CHED CC[C@@H](NCc1ccc(OC)c(F)c1)c1cccc(C#N)c1 902733133 NNQCWCFSMSPTDQ-QGZVFWFLSA-N 298.361 3.947 30 20 CHED O=C(C1CCC1)N(O)Cc1cc(Cl)cc(Cl)c1 900096727 NOCZQCDJSGAVEW-UHFFFAOYSA-N 274.147 3.511 30 20 CHED Oc1ccccc1/C=N\C[C@@H]1CCc2ccccc21 731938518 UDCNPQQUUMPHOZ-HIXWQLQUSA-N 251.329 3.541 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C)c(C)c1Cl 679984865 QSILNCHBHHFVQU-UHFFFAOYSA-N 251.757 3.605 30 20 CHED Cc1ccccc1CCC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839051568 NXGHINJFHDVNLH-GDBMZVCRSA-N 271.360 3.553 30 20 CHED Cc1cc(F)c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1F 839056374 UEQPJSXKOOFYNE-WDEREUQCSA-N 279.286 3.512 30 20 CHED N#CCOc1ccc(CN2CCC[C@@H]2C2CCCC2)cc1 731211738 YRQBYJITHPIANZ-GOSISDBHSA-N 284.403 3.744 30 20 CHED CC(C)(CCC#N)CNC(=O)N(C1CCCCC1)C1CC1 588753811 KWGAEVVYRQNDKU-UHFFFAOYSA-N 291.439 3.823 30 20 CHED C#CCOc1cccc(NC(=O)/C=C/C2CCCCC2)c1 735440793 OFYGIMDRZGBCSZ-VAWYXSNFSA-N 283.371 3.774 30 20 CHED COc1ccc(C=NNc2ccccc2)c(Cl)c1OC 730429563 GVWAMYCARODLKY-UHFFFAOYSA-N 290.750 3.803 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C1=CCC(C)(C)CC1 836786038 ZOHQYGGJOSDSST-UHFFFAOYSA-N 287.325 3.537 30 20 CHED CC(C)CC[C@H]1CCC(=NNc2ncncc2F)C1 834981869 CUROAQGPOVFZHG-NSHDSACASA-N 264.348 3.620 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1ccc(Cl)cc1)OC 834914220 NBVHEWLMTJQOAF-ZWNOBZJWSA-N 254.761 3.799 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 596660314 YOIHYDJOEYMXRU-HNNXBMFYSA-N 283.375 3.573 30 20 CHED CCOc1ccccc1C=NOCc1cc(F)ccc1F 917393719 KPZNOLDGWAURMJ-UHFFFAOYSA-N 291.297 3.914 30 20 CHED CCN(C(=O)[C@@H](C)c1ccc(CC(C)C)cc1)[C@H](C)C#N 598357450 HHRQEZNRLKBREJ-CABCVRRESA-N 286.419 3.749 30 20 CHED C=CCCC(=O)N1CCc2ccccc2[C@@H]1C(C)C 675680522 YASUFGPKFDIWLL-KRWDZBQOSA-N 257.377 3.735 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C/C=C/c2ccccc2)o1 745614060 YSKFIACFNFYXID-UAVYMXJMSA-N 294.358 3.856 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 593569155 XGFVQTWAZSDOFX-CXAGYDPISA-N 284.403 3.853 30 20 CHED C[C@@H](C#N)N(Cc1ccc(OCC(F)(F)F)cc1)C1CC1 595721120 QJVRFRNOENRHJQ-NSHDSACASA-N 298.308 3.504 30 20 CHED CC(=NNc1cc(C)cc(C)c1)[C@H]1C[C@H]2CC[C@H]1O2 834929147 IUQXHYMXUKNAJR-BZUAXINKSA-N 258.365 3.659 30 20 CHED CC(C)(C#N)C(=O)OCc1csc(C2CCCCC2)n1 919352608 HPFZBHSPXSUACH-UHFFFAOYSA-N 292.404 3.784 30 20 CHED CCCC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)C(C)C 598818022 IVBHEFRLBHFODM-OLZOCXBDSA-N 252.402 3.503 30 20 CHED C/C(=C\C(=O)OCc1ccccc1C#N)C(C)(C)C 744088859 QEEGKDKBUWZECF-FMIVXFBMSA-N 257.333 3.594 30 20 CHED CC(C)(CC#N)CSc1nnc(-c2ccccc2)o1 594882701 YZERDYMHQHXBOA-UHFFFAOYSA-N 273.361 3.769 30 20 CHED CCOc1cccc([C@@H](C)/N=C/c2c(O)cccc2OC)c1 745013086 SQLOTGHUIMCVIO-KZKLBEMASA-N 299.370 3.980 30 20 CHED CC[C@H](C#N)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 593446195 NEBYGWZLARWBCJ-CXAGYDPISA-N 282.387 3.605 30 20 CHED C[C@H](C#N)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 595719075 ZZJJFEZHRRKQAY-SECBINFHSA-N 269.175 3.870 30 20 CHED CCc1oc2ccccc2c1CC(=O)N(CCC#N)C(C)C 599234273 HXUDZHCMACFSAA-UHFFFAOYSA-N 298.386 3.688 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N(C1CC1)[C@H](C)C#N 598136828 KFTVUVHKBLVVHV-ZIAGYGMSSA-N 262.397 3.662 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H](C)c1cnn(C)c1 749921978 YLALITPVWLNXTO-HUUCEWRRSA-N 293.455 3.636 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C(/C)COC 844298479 UYISUDCLXYWJBD-FLIBITNWSA-N 299.823 3.509 30 20 CHED C[C@H](NCCCc1ccco1)c1ccc(C#N)cc1F 595093696 NJOVZFGYXBAJRB-LBPRGKRZSA-N 272.323 3.574 30 20 CHED CCC(=NNc1nc2ccccc2[nH]1)c1ccccc1 915915384 FEEIQPQHYHTVHF-UHFFFAOYSA-N 264.332 3.789 30 20 CHED Cc1cc(C)nc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1 842945811 SIPAJCDNJDGJMW-LBPRGKRZSA-N 297.383 3.522 30 20 CHED N#C[C@@H](C(=O)c1ccoc1)c1nc2cc(F)ccc2s1 592974171 PEDJNYNVGKIUMB-JTQLQIEISA-N 286.287 3.518 30 20 CHED C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCCCC#N 595518343 VRAVLYZHAWHZNY-LLVKDONJSA-N 290.798 3.903 30 20 CHED Cc1ccc(C)c([C@H](C)Nc2ccc(C(=O)NO)cc2C)c1 671994854 FXAMMCIFAHLAGJ-AWEZNQCLSA-N 298.386 3.904 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccc(CC)cc1 840797300 UOPAIJGMITTXTL-UHFFFAOYSA-N 262.422 3.748 30 20 CHED CCCCCCCn1c(-c2cccs2)noc1=O 746693995 IFDQPFXURWKKPS-UHFFFAOYSA-N 266.366 3.535 30 20 CHED Cc1ccc(-c2ncc(CNCC3(C#N)CC3)s2)cc1C 594614360 MWXHFTNPGSRXHX-UHFFFAOYSA-N 297.427 3.820 30 20 CHED CC(C)(C)C1CCC(=NNCCN2CCCCC2)CC1 915973479 JRUJPJMQWWBRFB-UHFFFAOYSA-N 279.472 3.654 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N(C)C(C)(C)CC 684906703 SMEJOIDTAXGTKQ-UHFFFAOYSA-N 288.435 3.958 30 20 CHED CCCCCCCC(=O)NCCc1ncc(C)cc1C 847186591 CSLWBSHISADLEF-UHFFFAOYSA-N 276.424 3.718 30 20 CHED CN(CCCC(C)(C)C#N)Cc1ccn(-c2ccccc2)n1 746659742 YOVGUCCCJQSUHV-UHFFFAOYSA-N 296.418 3.634 30 20 CHED Cc1n[nH]c(C)c1/C=C1/Cc2cc(Cl)ccc2C1=O 742436519 BWYGRXBYVOIPCC-XFFZJAGNSA-N 272.735 3.502 30 20 CHED C=C(C)CCOC(=O)CCCc1sccc1C 748879803 XYSSXTYUIZUDPN-UHFFFAOYSA-N 252.379 3.889 30 20 CHED C[C@@H](c1ccco1)N(CCc1ccc(C#N)cc1)C1CC1 595380106 KANMRBGPFBPBAA-AWEZNQCLSA-N 280.371 3.919 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 593477529 BUNANUOKHURBPF-IUCAKERBSA-N 285.174 3.720 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCC(C)(C)C1 594013797 BLMSYJLJSHUPDL-YOEHRIQHSA-N 298.430 3.774 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1c(C2CC2)cnn1C 849243544 KWWFEYBZRILDEL-CMDGGOBGSA-N 296.370 3.511 30 20 CHED C#CC[C@@H](OC(=O)Cc1c(C)[nH]c2ccccc12)C(C)C 747192654 NDBWUHOCPGNWJX-QGZVFWFLSA-N 283.371 3.610 30 20 CHED CCCCCCCCCN[C@@H]1C[C@H](C)n2ncnc21 924582784 TXFFAQCFHVCROG-UONOGXRCSA-N 264.417 3.624 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccc(F)cc1C 748907016 UVWQUYFVXSQTQM-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H]1C[C@@H](C)C(=O)C(C)(C)C1 847936282 KKPFVOHVGPAUOS-TZMCWYRMSA-N 278.392 3.692 30 20 CHED CC(C)c1ccc2cc(C(=O)NCC3(C#N)CCC3)[nH]c2c1 841468204 AMGMHUBJOLOZJP-UHFFFAOYSA-N 295.386 3.715 30 20 CHED C[C@H](O)CN(C)N=C1CCC[C@@H](c2cccc(Cl)c2)C1 841648466 KJZCHAUWWYVHSU-GXTWGEPZSA-N 294.826 3.666 30 20 CHED CCCCn1nc(C)c(C=NO[C@@H]2CCCCO2)c1Cl 755813162 DGKXSQXBSIFJHT-CYBMUJFWSA-N 299.802 3.522 30 20 CHED C=CCOc1ccc(-c2nc([C@](C)(CC)OC)no2)cc1 685702123 VXNFQKPXSOVUKL-INIZCTEOSA-N 288.347 3.573 30 20 CHED CCc1ncc(C=NNc2cccc(Cl)c2)s1 752155983 VKNHJKWQQTZSTD-UHFFFAOYSA-N 265.769 3.805 30 20 CHED COCCC1(CN[C@H](C)CC(C)(C)C#N)CCCCC1 926215953 DFTHQXBUIWRPSY-OAHLLOKOSA-N 280.456 3.891 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H]1CC(=O)N(C(C)(C)C)C1 850557955 OSPDAFFPBQVUGY-HZPDHXFCSA-N 294.483 3.748 30 20 CHED CCCCCCCCCCC(=O)N1C[C@@H](C)[C@@](C)(CO)C1 856246631 HEYYVUKQEMHGLN-SJLPKXTDSA-N 297.483 3.994 30 20 CHED C#CCCCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 852126874 JBCUAOKFYSDHTR-NSHDSACASA-N 275.783 3.623 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1nccn1C 755754380 XDUOJZCUDIRWBB-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C#CC[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(C)C2)c1ccccc1 852229353 RQTZLBAQZPIQMY-OKZBNKHCSA-N 296.414 3.724 30 20 CHED C=CCC1(NC(=O)[C@H](F)c2ccccc2)CCCC1 855927573 TXTOQNMQVSVALL-CQSZACIVSA-N 261.340 3.702 30 20 CHED C=C[C@@H](CC(=O)OC/C=C\Cl)c1ccccc1 758914357 MMJBBWVAUUYZFB-PWWFUAJNSA-N 250.725 3.642 30 20 CHED C/C=C/C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 921011084 NQLDVBNKMNMBKD-NSCUHMNNSA-N 278.311 3.865 30 20 CHED C#CCCCCCC(=O)OCCc1ccnc2ccccc12 851303242 SEVKICJQPDJGTP-UHFFFAOYSA-N 295.382 3.904 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCOC2(CCCCC2)C1 925563447 UKRJYDDFNFLUOF-CABCVRRESA-N 278.440 3.786 30 20 CHED O=[N+]([O-])c1ccccc1NN=C[C@H]1CCc2ccccc21 755465010 DYKZPLNGGAMOGY-CYBMUJFWSA-N 281.315 3.723 30 20 CHED C=CCCONC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 856027765 ZUMZLSHLFIMCLR-SNVBAGLBSA-N 287.281 3.590 30 20 CHED COc1ccc(NN=C(C)Cc2cccs2)cc1 750921288 FWQPSFHGTXYGLV-UHFFFAOYSA-N 260.362 3.787 30 20 CHED N#CC[C@H]1CCCN(Cc2c(O)ccc3ccccc23)C1 853525322 CUQHHSQOKDHSIF-CQSZACIVSA-N 280.371 3.671 30 20 CHED C=C[C@@H](CC)CC(=O)NC1CC(c2ccccc2)C1 931842555 JJGGFKIKQJABFZ-JEYLPNPQSA-N 257.377 3.651 30 20 CHED CCCCCC(C)(C)C(=O)N1CCC[C@@H](CC#N)C1 855254286 HYUHXHLUVXIPPQ-AWEZNQCLSA-N 264.413 3.745 30 20 CHED CC(CC1CCCC1)=NNc1nncc2ccccc12 752719555 SSKNLUHGOCCVGT-UHFFFAOYSA-N 268.364 3.998 30 20 CHED C[C@H](C=NNc1ncccc1[N+](=O)[O-])CC1CCCCC1 758123926 IOGDDRZKANCINJ-LBPRGKRZSA-N 290.367 3.994 30 20 CHED C#CCCCC(=O)NC1CCC2(CCCCC2)CC1 758063314 RQKCJVMEXGKFKN-UHFFFAOYSA-N 261.409 3.799 30 20 CHED C#CC[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 756956848 HRSHIHLEDOLVQG-AWEZNQCLSA-N 284.290 3.910 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 933865497 VYEXKCBAHMBXKP-CABCVRRESA-N 297.402 3.652 30 20 CHED C#CCCCNC(=O)C=C1CCC(C(C)(C)C)CC1 765676996 CUJWBYUORPFDDO-UHFFFAOYSA-N 261.409 3.679 30 20 CHED FC(F)(F)Oc1ccccc1C=NNCc1ccccc1 767131938 YBSKHEFDKKIMSS-UHFFFAOYSA-N 294.276 3.709 30 20 CHED C#CCCN[C@@H](c1ccccc1)c1cccc(F)c1 760303800 KEBDVLPKUDXJJY-KRWDZBQOSA-N 253.320 3.528 30 20 CHED N#CCOc1ccc(Cl)cc1CN1C[C@H]2CCC[C@H]1C2 934380042 XOZGJAXFBVBCPL-WFASDCNBSA-N 290.794 3.617 30 20 CHED C#CCCOc1ccc(CN(CCC)CC(F)(F)F)cc1 768867815 INXDYBUCLOOMOD-UHFFFAOYSA-N 299.336 3.863 30 20 CHED C#CCCCCC(=O)NCc1ccnc(-c2ccccc2)c1 863501074 YHRULQHCJBPIRF-UHFFFAOYSA-N 292.382 3.558 30 20 CHED CCCCCCCOC(=O)C1(CC(C)=O)CCC1 769236120 CZGQRIMRKGUWKW-UHFFFAOYSA-N 254.370 3.649 30 20 CHED Cc1cc(OC(=O)[C@@H]2CCC[C@H](C)C2)ccc1C#N 765092099 QGGLCJHTSANKBK-WCQYABFASA-N 257.333 3.598 30 20 CHED COc1ccccc1-c1nc(CSCCCC#N)co1 865284690 FJZWWWCSFGPOME-UHFFFAOYSA-N 288.372 3.887 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)c1ccccc1 862093986 CJLQCLXCLAGRIU-OTWHNJEPSA-N 289.378 3.589 30 20 CHED N#CCc1cccc(N[C@@H]2CCc3c(Cl)cccc32)n1 1116636486 NWPIOVDDUROMLW-OAHLLOKOSA-N 283.762 3.900 30 20 CHED CCC[C@@H](C)C(CC)=NNC(=S)Nc1ccccn1 767806649 PQODELFWJOZPOU-LLVKDONJSA-N 278.425 3.570 30 20 CHED CCCC(CCc1ccccc1)=NNc1cnn(C)c1 761861112 VFYNICIQWYORRS-UHFFFAOYSA-N 270.380 3.621 30 20 CHED COc1nccnc1NN=C(CCc1ccccc1)C(C)C 763408262 KNAQAROGTOCUFJ-UHFFFAOYSA-N 298.390 3.542 30 20 CHED C#CCN(C(=O)/C=C/c1ccccc1O[C@H](C)CC)C1CC1 763794980 IUCLEBHCFLZBHK-NRMKIYEFSA-N 297.398 3.501 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(C(F)F)cc2)c(F)c1 769739204 BAPUHLICFUWWIW-UHFFFAOYSA-N 291.228 3.854 30 20 CHED O=C(/C=C\c1ccccc1C1CC1)c1cscn1 776192025 LRNVHARKBCMXOW-FPLPWBNLSA-N 255.342 3.917 30 20 CHED C#CCOc1ccc(CNc2cccc(OCC)c2)cc1 770487760 YGAQSBXTWZSPIJ-UHFFFAOYSA-N 281.355 3.709 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1ccc(F)cn1 773126958 XDGPKHKSPOJBSS-CQSZACIVSA-N 263.360 3.503 30 20 CHED CCc1nn(C)cc1C=NNc1c(Cl)cccc1Cl 770616316 VPNAFUADLMWAJP-UHFFFAOYSA-N 297.189 3.735 30 20 CHED Fc1cc(C=NOCC(F)(F)F)cc(C(F)(F)F)c1 772844249 MIDDJYBSJGMBHY-UHFFFAOYSA-N 289.150 3.757 30 20 CHED C=C(C)CN[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 779199209 WPSOOLDRWXJJAK-HNNXBMFYSA-N 296.455 3.626 30 20 CHED C[C@H]1CCSCCN1CCCCC1(C#N)CCC1 1119764618 AWTBLYWPIYKFSF-AWEZNQCLSA-N 266.454 3.678 30 20 CHED CCCCCCCCNC(=O)Nc1ccnn1CC1CC1 776034917 DLBKLCSVXPJDDJ-UHFFFAOYSA-N 292.427 3.775 30 20 CHED N#CCc1ccccc1CC(=O)O[C@@H]1CC[C@@H]2CCC[C@H]2C1 771016430 OHNFELDUEFVLHI-QILLFSRXSA-N 297.398 3.807 30 20 CHED N#C[C@H](OC(=O)c1c(F)ccc(F)c1F)C1CCCCC1 772741067 DYHQDSFREGQUHN-LBPRGKRZSA-N 297.276 3.733 30 20 CHED N#Cc1ccc(/C=C2/CCc3ccccc3C2=O)c(F)c1 772804002 WRWMXLWTXIXDLI-GDNBJRDFSA-N 277.298 3.910 30 20 CHED Cc1ccc(NC[C@@H](c2cccnc2)C(C)C)c(C#N)n1 882066706 FVUZEFPZECSWQI-OAHLLOKOSA-N 280.375 3.508 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)[C@@H]2CCCc3cccc1c32 777466328 AAZKLXVVCOYRBJ-NCPSJORJSA-N 279.314 3.921 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@@H]2c2ccccc2Cl)n1 881829534 OSYUPTAXODKNIA-OAHLLOKOSA-N 298.777 3.652 30 20 CHED Cc1ccc(CCCOC(=O)c2cc(C#N)cs2)cc1 785360597 HBCZVUNOWYIXNT-UHFFFAOYSA-N 285.368 3.718 30 20 CHED CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNCCC(C)(C)C 782903203 RIEYYUCPVMGVNR-GFCCVEGCSA-N 299.459 3.691 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cc(C)nn1C 788994965 NNAQDZHOLNENSZ-CQSZACIVSA-N 298.434 3.927 30 20 CHED Cc1cc(C=NNc2ccccc2Cl)sn1 785449943 ALMDXEHJIYBWLZ-UHFFFAOYSA-N 251.742 3.551 30 20 CHED N#Cc1cc(Cl)ccc1N1CCOC2(CCCCC2)C1 301475239 VWLAPGMYLLIPRM-UHFFFAOYSA-N 290.794 3.751 30 20 CHED O=C1/C(=C\c2ccc3cnccc3c2)Oc2cc(O)ccc21 782324044 XGMTZPZNBWKTTD-CAOOACKPSA-N 289.290 3.557 30 20 CHED Cc1cc(C)cc(N(C)Cc2ccc(F)cc2C#N)c1 303204290 PDUSDAMHSPRAKW-UHFFFAOYSA-N 268.335 3.951 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 782302790 IYZVACJONJQMJI-UHFFFAOYSA-N 264.756 3.633 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)O[C@H](C#N)C1CCCCC1 785942067 SOEGPLKSTVIVPM-HZPDHXFCSA-N 293.407 3.740 30 20 CHED CCOc1c(Cl)cccc1C=NNCc1ccccc1 782165193 BMBBYTMNMRRSOY-UHFFFAOYSA-N 288.778 3.862 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@@H](O)C[C@H]1C 788543266 SDVPKJPVNRNXHF-XHSDSOJGSA-N 283.456 3.745 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]([C@H](C)CC)C(F)(F)F 890265562 RKKFAJOFASSKJH-KOLCDFICSA-N 265.319 3.682 30 20 CHED CC[C@H](CC#N)OC(=O)c1nc(-c2cccs2)oc1C 787087399 PAUSDKITJGKCFK-SNVBAGLBSA-N 290.344 3.561 30 20 CHED Cc1cc(COC(=O)CCCc2ccsc2)ccc1C#N 784661157 RAXZFHJZYYNWAI-UHFFFAOYSA-N 299.395 3.994 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)C1CCC(F)(F)CC1 788726928 XNOGLDAJOGODRN-CYBMUJFWSA-N 288.382 3.735 30 20 CHED N#Cc1cccc(NCc2cc(F)c(F)cc2F)c1 83451378 KMXJSFITQCQBGQ-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=C1CC(c2noc(CCCOc3ccccc3F)n2)C1 896881239 FTZSPIGPSUELSA-UHFFFAOYSA-N 288.322 3.654 30 20 CHED N#Cc1ccc2c(n1)CCCN2C(=O)C1CCCCCCC1 892403892 FVUCBBFWSVIQBW-UHFFFAOYSA-N 297.402 3.593 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1/C=C\c1ccccc1 791068107 OOTDUQOWLBFWMC-DNHBRAKOSA-N 296.414 3.676 30 20 CHED COc1ccc(C#N)cc1CSC/C(C)=C\Cl 797812926 QNLHBEGIVSGZBJ-POHAHGRESA-N 267.781 3.943 30 20 CHED CC[C@H](C#N)C(=O)NCc1ccccc1Oc1ccccc1 1136464227 KHIDFGTWAZPJQE-CQSZACIVSA-N 294.354 3.645 30 20 CHED CC[C@@H](C)NN=Cc1cnc(-c2cccs2)s1 790180794 ARASUVZWNQMZCK-SECBINFHSA-N 265.407 3.594 30 20 CHED CC(=NNc1cnccn1)[C@H](C)c1ccc(Cl)cc1 794488053 CABBSLIKWZQIKY-JTQLQIEISA-N 274.755 3.722 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNCc1ccc(C#N)cc1F 1202202497 DHQSKHWLRJTKBL-IPYPFGDCSA-N 274.383 3.859 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](CC(C)C)c1ccccn1 797954791 VHPKBUHSVQHORG-MRXNPFEDSA-N 298.342 3.799 30 20 CHED C#CCCCCCC(=O)NCCc1ccc(SC)cc1 798042636 WXMLCSPBIIZHPG-UHFFFAOYSA-N 289.444 3.651 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(Cl)cc1SCC 791740239 ABDYQDRTTHXBET-LBPRGKRZSA-N 295.835 3.984 30 20 CHED CC[C@H](CC#N)OC(=O)c1sc2ccc(C#N)cc2c1C 797147548 RTYNUQGWGJFJQK-GFCCVEGCSA-N 298.367 3.930 30 20 CHED CC[C@H](C)CON=Cc1cc(F)cc2cccnc12 793163233 HNOWYLHQAYOEDT-NSHDSACASA-N 260.312 3.771 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(OC)c(Cl)c1 796462860 NVOKNCFHBKYUGI-UHFFFAOYSA-N 282.767 3.994 30 20 CHED CCC(C)(C)N(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790656149 VKACDRFHFRXUKW-UHFFFAOYSA-N 297.320 3.704 30 20 CHED Cc1noc(C2CCC(=NN[C@@H]3CCCC3(C)C)CC2)n1 797403775 YSWOUCJRHUUOSD-TYZXPVIJSA-N 290.411 3.560 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)CCc2ccc(O)cc21 794960244 PBKUEAWAFQIHFR-KPKJPENVSA-N 297.379 3.939 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1CC 793857224 GPIQBMSCIXCFBC-HUUCEWRRSA-N 285.387 3.854 30 20 CHED C=C(C)CCc1noc(CN(C)CCCCCC)n1 795768264 LPGMPNYTMYEXIP-UHFFFAOYSA-N 265.401 3.590 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1cccc(OC(C)C)c1 797884619 RTQAEKUZGYQBDV-UHFFFAOYSA-N 299.326 3.604 30 20 CHED C=CCCCCCN(C)C[C@@H](O)c1ccc(F)cc1 739930194 JWBYVFARXQKBKX-MRXNPFEDSA-N 265.372 3.537 30 20 CHED C[C@@]1(C#N)CCCN(Cc2nc(Cl)ccc2Cl)C1 766892179 DVHOENIHKTYWSU-ZDUSSCGKSA-N 284.190 3.514 30 20 CHED N#Cc1cccc(Sc2nc3ccc(F)cc3s2)n1 1307206525 PTIJTIZIORQHIZ-UHFFFAOYSA-N 287.344 3.853 30 20 CHED Cc1ccccc1CCN(C)Cc1ccc(F)c(C#N)c1 1307795158 UAZYCIRSYFQQNO-UHFFFAOYSA-N 282.362 3.680 30 20 CHED CNc1ccc(C)cc1CN(C)Cc1ccc(C#N)cc1 1308613504 FRGBYKJKIYVRQB-UHFFFAOYSA-N 279.387 3.540 30 20 CHED Cc1cccc(OCc2nnc(C3(C#N)CCCCC3)o2)c1 1329042875 UVQKWDKUXHMMAI-UHFFFAOYSA-N 297.358 3.683 30 20 CHED COc1cc(F)cc(N=Cc2cc(Cl)ccc2O)c1 1322529944 OUYBWRDTBSTMES-UHFFFAOYSA-N 279.698 3.944 30 20 CHED CC(C)(C)Oc1ccc(CCN[C@H]2CC[C@@H](C#N)C2)cc1 1325159903 UNDVRVDDILXXSM-CVEARBPZSA-N 286.419 3.688 30 20 CHED CC(C)CCN(CCC#N)Cc1ncc(-c2ccccc2)[nH]1 1329513294 YFEJDNGTFXSHJV-UHFFFAOYSA-N 296.418 3.838 30 20 CHED Cn1ccc(NN=C2CCC[C@H]2c2ccccc2Cl)n1 1320696841 RLQXKDOTULEUPS-LBPRGKRZSA-N 288.782 3.809 30 20 CHED Cc1ccc(CCNc2cc(C)c(C#N)cn2)cc1C 1186980881 OJIXMEZHFWRETB-UHFFFAOYSA-N 265.360 3.533 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C=C1CCCC1 1331454010 QZFFUOOROUTTKD-UHFFFAOYSA-N 260.724 3.651 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F 1335970628 LCBZCOLANJWNLV-JTQLQIEISA-N 292.326 3.527 30 20 CHED N#C[C@H](c1ccccc1)N1CCCC2(CCCC2)C1 1193517947 ZYEZERGLJQMYSR-MRXNPFEDSA-N 254.377 3.907 30 20 CHED Cc1csc([C@H](C)NCCCCC2(C#N)CCC2)n1 1262257305 HOAWFEHWEGTWPI-ZDUSSCGKSA-N 277.437 3.966 30 20 CHED C=C(C)CCC(=O)Nc1cnc(Cl)cc1Cl 1340744934 ONSDAFXVZRKJTI-UHFFFAOYSA-N 259.136 3.683 30 20 CHED N#CC[C@H](OC(=O)[C@H]1CCc2cc(F)ccc21)c1ccco1 1345977767 WKHJHDVQILTYKO-HOCLYGCPSA-N 299.301 3.647 30 20 CHED CS(C)(=O)=Nc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 1350338484 NJYHZCRTQXDFNX-OLZOCXBDSA-N 291.420 3.540 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCOc2c(Cl)cccc21 1353542477 XIBYAUQSORGJMO-ZDUSSCGKSA-N 279.767 3.636 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cccc2c1CCCC2 1350945895 SINDPYBLEANIIP-UHFFFAOYSA-N 290.366 3.998 30 20 CHED CC(C)[C@H](C(=O)O[C@H](CC#N)c1ccco1)c1cccnc1 1350311380 KBHNPURIKAUAQT-CVEARBPZSA-N 298.342 3.612 30 20 CHED N#C[C@@H]1CCCN(c2cc3ccccc3c(Cl)n2)C1 1355331284 AHEZAONYCTVDTB-NSHDSACASA-N 271.751 3.628 30 20 CHED C=C(CC)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 1520976745 WOUQEASPLJTCQR-OAHLLOKOSA-N 270.376 3.631 30 20 CHED CCC(CC)CN(CCC#N)CCN1C[C@@H](C)C[C@@H](C)C1 1459611958 VALDHAQFDGJODW-CALCHBBNSA-N 293.499 3.616 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N2CCc3c(C#N)cccc32)C1(C)C 1529512386 AOKIXNYFSZZOIH-DJJJIMSYSA-N 296.414 3.910 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccc(C#N)cc1OC 1523418133 SBUCEENSSHXSQV-ZDUSSCGKSA-N 288.391 3.513 30 20 CHED C[C@H]1Cc2cc(NC(=O)CC3(C#N)CCCCC3)ccc2O1 1538668190 GCFLHBZNJWPHBM-ZDUSSCGKSA-N 298.386 3.813 30 20 CHED COc1cc(C#N)ccc1CN[C@]1(C)CCCC[C@H]1C 1460213766 RBGGXMMTMOFHRQ-CXAGYDPISA-N 272.392 3.625 30 20 CHED N#Cc1c(F)cccc1CN1CC[C@H](C2CCCC2)C1 1474588438 KJBGSDUVDJSOCV-AWEZNQCLSA-N 272.367 3.709 30 20 CHED N#Cc1nccc(N2C[C@H](c3ccccc3)c3ccccc32)n1 1472771843 OUWSKUMCYKDUQJ-MRXNPFEDSA-N 298.349 3.632 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccnc(C#N)c1 1472883722 FMWAHPZZGKSQNU-KBXCAEBGSA-N 277.371 3.726 30 20 CHED Cc1cc(NCc2cc(C#N)cs2)ccc1-n1ccnc1 1474063418 LNGUUQQQKVVCIX-UHFFFAOYSA-N 294.383 3.726 30 20 CHED N#Cc1ccc(F)cc1Cn1cnc(-c2ccccc2)c1 1473087223 QPRZHEMJCATHCI-UHFFFAOYSA-N 277.302 3.609 30 20 CHED C=C(Cl)CNC(=O)CCc1cccc2ccccc12 1628362014 JVDYFGGMIHNWOS-UHFFFAOYSA-N 273.763 3.641 30 20 CHED Cc1cc(N2C[C@@H](c3ccccc3C)C[C@@H]2C)c(C#N)cn1 1559114531 WSCJYJYBMLBOPV-HOTGVXAUSA-N 291.398 3.953 30 20 CHED CCc1ccc2c(c1)[C@H](NC[C@@H](C)CCC#N)CCO2 1560736025 KAVDCDQWOQKGTJ-XJKSGUPXSA-N 272.392 3.602 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)N(C)c1ccccc1 1562531608 JNSBJKZQPZXNOK-CYBMUJFWSA-N 295.342 3.646 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 1566319941 UUFMLTYCUCNDTF-IAGOWNOFSA-N 298.430 3.844 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)CCC[C@H]1C 1657353084 WIEZYTCIVIQWDS-UKRRQHHQSA-N 256.393 3.877 30 20 CHED CN(Cc1ccccc1F)[C@@H](C#N)c1ccccc1 1653178816 NMFPOTONQMQDQJ-INIZCTEOSA-N 254.308 3.522 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1ccc(C#N)c(C)c1 1659541165 UHAMVOBKEOLLCW-HNNXBMFYSA-N 292.382 3.963 30 20 CHED C=C(Br)CNCc1ccc(Cl)cc1C 231746981 WCFLZQAAASNEDE-UHFFFAOYSA-N 274.589 3.647 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1CCc1ccc(C#N)cc1 1657320394 CTPVUBHVFDWZIP-JXFKEZNVSA-N 290.410 3.979 30 20 CHED CC(=O)c1c(F)cccc1OCc1ccc(F)cc1C#N 1653074114 SNTIKNKMHWVFTH-UHFFFAOYSA-N 287.265 3.618 30 20 CHED Cc1sccc1C(=O)N(CCC#N)c1ccc(F)cc1 1585017565 RVSBBQDDGAGHCJ-UHFFFAOYSA-N 288.347 3.756 30 20 CHED N#CCc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1 1671984254 LUEOTDPQRZSASG-UHFFFAOYSA-N 299.761 3.728 30 20 CHED CC(C)OCCOc1ccc(C#N)c2ccccc12 232669782 VWMYBCNTFUEXQY-UHFFFAOYSA-N 255.317 3.515 30 20 CHED Cc1cc(C)cc(C=NNc2ccc(C(=O)O)c(F)c2)c1 1776073984 ZYVAFDICCWPSDP-UHFFFAOYSA-N 286.306 3.587 30 20 CHED O=C(O)c1cc(NN=Cc2csc(Cl)c2)ccc1F 1776064262 FYBAQTJINXUXGZ-UHFFFAOYSA-N 298.726 3.685 30 20 CHED Cc1c(NN=C2[C@H]3CCC[C@H]3C2(C)C)cccc1C(=O)O 1776088536 SBLSCXGODRBTIW-QWHCGFSZSA-N 286.375 3.917 30 20 CHED C=CC[C@@H](Cc1ccccc1)Nc1ccc(C(=O)O)c(C)n1 1776151695 XXAACPKZPZYKJX-HNNXBMFYSA-N 296.370 3.688 30 20 CHED CC[C@@H](C)N(CC)Cc1ccc(C#N)cc1Cl 162865055 XPJXWSMGANPKOK-LLVKDONJSA-N 250.773 3.832 30 20 CHED C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 162907937 YYXKXKJGYSAPOM-LBPRGKRZSA-N 262.784 3.834 30 20 CHED CC[C@H](CSC)N(C)Cc1ccc(C#N)cc1Cl 162931230 FFQIAYMUXZEOIC-CYBMUJFWSA-N 282.840 3.785 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@H](C3CC3)C2)CC1 153022472 QJWQDXGNKGVDDX-FUHWJXTLSA-N 276.468 3.585 30 20 CHED CCCOc1cc(C)ccc1NC(=O)N[C@H](CC)CC#N 155798648 QBWRMOMLVJBJHL-CYBMUJFWSA-N 289.379 3.598 30 20 CHED C#CCCCCNC(=O)C(C)(C)c1cccc(Cl)c1 155909233 YDHRSJBMNYPEEC-UHFFFAOYSA-N 277.795 3.537 30 20 CHED C=CCN(C)C(=O)N[C@@H](CCC)c1ccc(F)cc1F 155455980 PTEWIOUOVQWYDH-AWEZNQCLSA-N 282.334 3.633 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 156872735 MVGYZRVFQQAJEH-UHFFFAOYSA-N 297.358 3.832 30 20 CHED N#CCCN(CC[C@@H]1CC1(Cl)Cl)Cc1ccco1 822663945 JMLKNBQZAACKTH-LLVKDONJSA-N 287.190 3.579 30 20 CHED C#CCN(C(=O)c1ccc(Cl)s1)C1CCCCC1 65777613 BYQVPVRUDABMJZ-UHFFFAOYSA-N 281.808 3.810 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(Oc2ccccc2)c1 44827995 OMNZHSBKQLARRC-GFCCVEGCSA-N 266.300 3.577 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)c2ncccc12 179693507 XWQRLFKFVUYTCO-UHFFFAOYSA-N 266.344 3.675 30 20 CHED C=CC[C@@H](C)N[C@H]1CCSc2ccc(F)cc21 180953987 YGMGKDHTWDSMAI-MFKMUULPSA-N 251.370 3.917 30 20 CHED C#CCCCC(=O)N(Cc1ccccc1)C(C)(C)C 190603103 QYFGHTJZUJTRIK-UHFFFAOYSA-N 257.377 3.617 30 20 CHED N#Cc1cc(F)c(N2CCC3(CCC3)CC2)c(F)c1 308731105 SYRNHLMIKLHOSS-UHFFFAOYSA-N 262.303 3.607 30 20 CHED C=CCCCCNCc1ccnc(Cl)c1Cl 309510426 PAFBDDOCKJHEPA-UHFFFAOYSA-N 259.180 3.834 30 20 CHED C#CC1CCN(C(=O)c2ccc(CCCC)cc2)CC1 700627072 VHUIJZHWTIAIRV-UHFFFAOYSA-N 269.388 3.515 30 20 CHED N#Cc1sc(N[C@H](C2CCC2)C2CC2)nc1Cl 324804182 QIVVBRLEDFLJJE-SNVBAGLBSA-N 267.785 3.659 30 20 CHED N#CCC1(CNCc2c(Cl)cccc2Cl)CC1 430021427 MFGJDMSUILKSNR-UHFFFAOYSA-N 269.175 3.777 30 20 CHED N#Cc1ccc(NCCSCC(F)(F)F)cc1Cl 539867953 ZMPUAXUOMPQESO-UHFFFAOYSA-N 294.729 3.919 30 20 CHED C=C[C@H]1CCCCN1c1ccc(Br)c(C)n1 486470138 WWQVQRWUPLMWCY-NSHDSACASA-N 281.197 3.697 30 20 CHED CC(C)c1ccc(CCNC(=O)c2ccc(C#N)cc2)cc1 6218691 SMDVPZZPQJBRAB-UHFFFAOYSA-N 292.382 3.654 30 20 CHED N#Cc1ccnc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 342550351 XLGOJHPJPUZJAZ-NEPJUHHUSA-N 283.297 3.734 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CCC)c1ccccc1 57158045 NTYSNPGEZYREPL-MRXNPFEDSA-N 259.393 3.995 30 20 CHED N#Cc1ccc(CNCc2cc3c(s2)CCCC3)cc1 518275223 LMHINYYRNBUVPF-UHFFFAOYSA-N 282.412 3.788 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1F 50821438 JAOIKTMFYQUREE-LBPRGKRZSA-N 293.301 3.501 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C#N)C1(C)C 57985683 JIZDQGLPEMCOHZ-UKRRQHHQSA-N 268.360 3.735 30 20 CHED CC(C)CCN(CCC#N)C(=O)CC1=CCCCC1 106771767 MRWLHMFMROVDQI-UHFFFAOYSA-N 262.397 3.665 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1c1cccc(C)c1 55002297 YSQBJYOFODNTOZ-HNNXBMFYSA-N 274.433 3.583 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)s1 106419596 XCSGDMWSBNJXAT-GFCCVEGCSA-N 290.775 3.705 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc(Cl)cc2Cl)C1 179863286 UUBVXSWSJLXDPX-WCBMZHEXSA-N 284.142 3.842 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C#N)cc2)cc(C)c1O 111685579 LXNIUIJJSWRZQB-YVMONPNESA-N 277.323 3.777 30 20 CHED N#Cc1ccc(N[C@H]2CCOc3c(F)cccc32)cc1 302668311 NAWNLHVWJOTEQT-HNNXBMFYSA-N 268.291 3.633 30 20 CHED CN(C(=O)CCc1cccc(Cl)c1)c1cccc(C#N)c1 63326073 QMDGRQJTIFOKHL-UHFFFAOYSA-N 298.773 3.807 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCCc2ccc(C)cc21 179570576 OJKVVQKNPKWWOK-KRWDZBQOSA-N 284.403 3.756 30 20 CHED C=CC[C@H](C(=O)Nc1cccc(C)c1O)c1ccccc1 187333695 XZPLGINFNDBMHS-HNNXBMFYSA-N 281.355 3.999 30 20 CHED Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C#N)c2C)cc1 178631895 MNIXGSUAGZQTFG-AWEZNQCLSA-N 294.354 3.581 30 20 CHED CO[C@@H]1CC[C@H](Nc2c(C#N)cnc3c(C)cc(C)cc23)C1 302766168 LLUKMEYGZUEVQQ-LSDHHAIUSA-N 295.386 3.703 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 69358852 OVXJCNRJGQBEMZ-UONOGXRCSA-N 291.391 3.784 30 20 CHED O=C1/C(=C/c2cccs2)CCc2cc(O)ccc21 60340065 GREPVYRCRFOVQU-PKNBQFBNSA-N 256.326 3.666 30 20 CHED CC[C@H](Cc1ccccc1)N(C)CCC(C)(C)C#N 131705944 POTJSBZUHKUULJ-MRXNPFEDSA-N 258.409 3.879 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCc2ccco2)c1 302236030 JCVJORACBOXFRF-UHFFFAOYSA-N 280.249 3.825 30 20 CHED N#C[C@H](C(=O)C1CCCCCC1)c1nc2ccccc2o1 171330192 ZNWGEGRTZFZPHK-CYBMUJFWSA-N 282.343 3.974 30 20 CHED CCCCOc1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1 120688026 IXWSLMQSNOZKOS-QGZVFWFLSA-N 288.391 3.534 30 20 CHED CC[C@](C)(NCc1ccc(C#N)s1)c1nc(C)cs1 176975839 XCLZOIZRXOTUSX-AWEZNQCLSA-N 291.445 3.800 30 20 CHED CN(C(=O)[C@H]1CCCc2sccc21)c1cccc(C#N)c1 123052822 RXJFRKVQYNRRGC-HNNXBMFYSA-N 296.395 3.703 30 20 CHED CCCOc1cc(C)ccc1CNc1cccc(C#N)n1 301580931 SUIMLCWYFKMQJO-UHFFFAOYSA-N 281.359 3.663 30 20 CHED C[C@@H]1c2cccn2CCN1Cc1ccc(Cl)cc1C#N 186506625 VDYRIBKXBFZMJZ-GFCCVEGCSA-N 285.778 3.590 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C)n1 181843202 CJELURSRVONNNM-UHFFFAOYSA-N 295.386 3.653 30 20 CHED N#Cc1cccnc1N[C@H]1CC[C@@H](Cc2ccccc2)C1 302489677 JOTGPRYJIXLOBG-RDJZCZTQSA-N 277.371 3.777 30 20 CHED CCSc1cccc(NC(=O)c2ccc(C#N)c(C)n2)c1 71019102 DVLWFPJVYKSZPL-UHFFFAOYSA-N 297.383 3.626 30 20 CHED COC1(CCSCc2cc(F)ccc2C#N)CCC1 419486763 ABCLLTVYZKKUEK-UHFFFAOYSA-N 279.380 3.890 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC([C@@H]2CCCO2)CC1 189121563 HGSICHMVXFTILT-KSSFIOAISA-N 284.403 3.510 30 20 CHED Cc1cccc(C2(C(=O)NCC3(C#N)CCC3)CCCC2)c1 416352896 GJFFSOCEUPTSGU-UHFFFAOYSA-N 296.414 3.617 30 20 CHED C[C@H](Cc1ccncc1)Nc1ccc(C#N)c(Cl)c1 487653458 PLYDVCBTLWHMCV-LLVKDONJSA-N 271.751 3.650 30 20 CHED CCN(Cc1cc(O)cc(F)c1)[C@H](C)c1ccc(C#N)cc1 186186181 AETSXGVKZRUHKH-CYBMUJFWSA-N 298.361 3.986 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H](CC)CC(F)(F)F 412629548 DRMBYWPGTKKDGI-NSHDSACASA-N 277.330 3.850 30 20 CHED Cc1cccc(N(C)C(=O)c2sccc2C#N)c1C 128112665 OLYLXDLGHLQYOB-UHFFFAOYSA-N 270.357 3.513 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1F 414164147 JRPUBCAMGSRAMS-JTQLQIEISA-N 252.308 3.555 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2nc3c(cc2C#N)CCCC3)C1 121949523 IOQPVDHRWXZHOO-STQMWFEESA-N 297.402 3.597 30 20 CHED N#Cc1ccc(SCCn2cccn2)cc1C(F)(F)F 180390751 CMQXHXLYZGZNPR-UHFFFAOYSA-N 297.305 3.566 30 20 CHED C[C@H]1CCc2c(C(=O)[C@H](C#N)c3ccccn3)csc2C1 72590943 DNDKCPUJRVPEPP-WCQYABFASA-N 296.395 3.758 30 20 CHED CC(C)(C#N)CCCN1CCCN(Cc2ccccc2)CC1 174814258 VNHKGZZWLKMNHB-UHFFFAOYSA-N 299.462 3.524 30 20 CHED CN(C(=O)CCc1ccc(C#N)cc1)C1CCCCCC1 73155888 WVEJYDUBISPCEI-UHFFFAOYSA-N 284.403 3.672 30 20 CHED CCCN(Cc1ccc(Cl)cc1C#N)CC(F)F 186919205 BSRXGIJFEWNFMC-UHFFFAOYSA-N 272.726 3.689 30 20 CHED C[C@H](C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C)c1cccc(C#N)c1 412830693 VNGXUGQQQRRMRO-IAOVAPTHSA-N 298.430 3.993 30 20 CHED C=C(C)[C@@H](NCCCSCC#N)c1ccc(F)c(F)c1 187766761 KOAMZIKXJABXPP-OAHLLOKOSA-N 296.386 3.818 30 20 CHED C=CC[C@H](CC)NC(=O)c1csc2c1CCCC2 410129332 YHUMSYHROJYOCD-NSHDSACASA-N 263.406 3.711 30 20 CHED Cc1cccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c1C 182061091 VQFDHVZZQGQGMQ-CYBMUJFWSA-N 294.354 3.847 30 20 CHED C[C@H](C(=O)Nc1sccc1C#N)c1c(F)cccc1F 134095428 SFIFUEQHSBBLIO-QMMMGPOBSA-N 292.310 3.640 30 20 CHED C=CC[C@H](C(=O)N[C@H](CC)CSC)c1ccccc1 188973111 IGGUEOWZIBRSMP-CABCVRRESA-N 277.433 3.604 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 188055376 RQLDHPXRWGUXAY-ZDUSSCGKSA-N 270.332 3.634 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#N)cs1 412810057 IEYGHRYOCAOKSN-NEPJUHHUSA-N 276.405 3.564 30 20 CHED CCC1(C(=O)NCc2cccc(C#N)c2)CCCCC1 185640760 LXPBKLJATYQMRK-UHFFFAOYSA-N 270.376 3.535 30 20 CHED CC[C@@H](NCCCC1(C#N)CCOCC1)[C@H]1CC1(C)C 419317216 ROASPQVGNXUCBM-HUUCEWRRSA-N 278.440 3.501 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C)C1 413810904 AKNIWMNBTNYBDI-WBVHZDCISA-N 286.419 3.615 30 20 CHED C=CCC1(C(=O)NC[C@H](CC)CC(F)(F)F)CCC1 412657683 PCJOJNBYDSFTKE-LLVKDONJSA-N 277.330 3.828 30 20 CHED C[C@@H]1OCC[C@@H]1SCc1ccc(C#N)cc1Cl 220979754 GGTKNWQRIJXXFJ-ZANVPECISA-N 267.781 3.622 30 20 CHED C=C(C)CCc1noc(/C=C/c2nc3ccccc3o2)n1 508594174 IEXRKUQIIPRIAT-MDZDMXLPSA-N 281.315 3.890 30 20 CHED C=CC[C@H](C)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 135445325 AZTHZGPJEHFFME-JTQLQIEISA-N 284.762 3.585 30 20 CHED CC#CCCCC(=O)N(Cc1ccsc1)c1cccnc1 193500173 AONTYBHSUSKPNV-UHFFFAOYSA-N 298.411 3.870 30 20 CHED C[C@H]1CCCC[C@H]1OCCN(C)Cc1ccc(C#N)cc1 46054171 BFSWONAKVSYZKF-MAUKXSAKSA-N 286.419 3.585 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(-c2ccccc2)s1 194455654 RPWHBSNQLUUVTQ-UHFFFAOYSA-N 271.341 3.874 30 20 CHED CC[C@@H](C#N)OC(=O)CCSc1ccc(Cl)cc1 84714491 NSOOGRHGKBLYNR-NSHDSACASA-N 283.780 3.668 30 20 CHED COc1ccccc1SCc1ccc(C#N)cc1 41030571 YBHLZMHFTNUWDD-UHFFFAOYSA-N 255.342 3.859 30 20 CHED C[C@@H]1CCC[C@@H]1NC(O)=Nc1ccc2ccoc2c1 328642743 FAQMLHBRRBCKGP-MFKMUULPSA-N 258.321 3.757 30 20 CHED C=C(C)CCNC(=O)N[C@H](CC(F)F)c1ccccc1 420833616 AFEQQAKRIHEQCZ-CYBMUJFWSA-N 282.334 3.648 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(C)c(C)c1 424861330 DQRRHHUASZLUDM-UHFFFAOYSA-N 259.393 3.864 30 20 CHED C=C(CNC(=O)N1CCC[C@@H](C)[C@H]1C)c1ccccc1 512679403 YUEIUUHEABXZHI-UKRRQHHQSA-N 272.392 3.530 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(CCOC)CCCCC1 424774780 OOBREBJXRRYSTE-UHFFFAOYSA-N 281.440 3.692 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccc(SC(F)F)cc1 193059745 ROUNCSLFUVXTIC-QPJJXVBHSA-N 294.326 3.631 30 20 CHED Cc1ccc(C[C@H](C)N[C@@H]2CCC[C@H](C#N)C2)s1 192882494 BMKVZTFYPTUWHB-FPMFFAJLSA-N 262.422 3.660 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)c(C)c1 41519834 IXUGOZQILBKFNG-ZDUSSCGKSA-N 270.357 3.558 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 424333927 UWONRWXSHWZHIL-LXZKKBNFSA-N 254.377 3.654 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[C@@H](C#N)C1 516174443 MFNUWOLXTREJQX-HFTRVMKXSA-N 279.387 3.608 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN(CCC#N)Cc1ccco1 81517762 BIPHAKWHMFKOQO-WBVHZDCISA-N 290.407 3.591 30 20 CHED C=C(C)CNC(=O)Nc1ccc(OCCC)c(Cl)c1 429375650 ZLZZXMGXUFCABB-UHFFFAOYSA-N 282.771 3.826 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cc(F)cc(F)c1 88305140 NZFPSZAQGIQVHD-OWOJBTEDSA-N 296.219 3.845 30 20 CHED CC1(C#N)CCN(C(=O)Cc2cc3ccccc3s2)CC1 336266288 OOZRVDSTWKJUKD-UHFFFAOYSA-N 298.411 3.596 30 20 CHED C[C@H](CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1 143446767 HPJGISXBNNFRRH-CQSZACIVSA-N 278.355 3.715 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@H]1C(C)C)c1ccccc1 428016401 IKELMBAQFWTCQQ-CVEARBPZSA-N 257.377 3.603 30 20 CHED Cc1ccc(CCC(=O)N(CC#N)c2ccccc2)c(C)c1 194662469 VFWLCJMGFVTYJC-UHFFFAOYSA-N 292.382 3.793 30 20 CHED C[C@H](CC#N)N(C)CCCSCc1ccccc1 90552289 POZFTOIOUGYLAN-CQSZACIVSA-N 262.422 3.544 30 20 CHED C=C(Br)CN[C@H](c1cccs1)C1CC1 162068034 IMWJNXIJBPXTOU-NSHDSACASA-N 272.211 3.697 30 20 CHED CC(C)(C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccnc1 335948565 NWAODJLXZZKAHO-UHFFFAOYSA-N 299.761 3.523 30 20 CHED Cc1cc(-c2nc([C@@H]3CCC[C@@H](C)C3)no2)ncc1C#N 331590636 BDIHSFRNCUVSHI-ZYHUDNBSSA-N 282.347 3.605 30 20 CHED C=CC1CCN(c2ncc(Br)cc2C)CC1 532333965 DPMUXBFIQHXABR-UHFFFAOYSA-N 281.197 3.555 30 20 CHED C=CCCCN(C)C(=O)Nc1cc(C)cc2cccnc12 92147646 LRFHODZHUUNTKP-UHFFFAOYSA-N 283.375 3.973 30 20 CHED O/C(=N/[C@@H]1CCCc2c[nH]nc21)[C@@H]1C[C@@H]1C1CCCCC1 330135588 SRLHHRFNNOPSRK-RBSFLKMASA-N 287.407 3.960 30 20 CHED CC(C)N(C)c1ccccc1CNCc1cc(C#N)cs1 438335811 RLODPFSIUMFXDY-UHFFFAOYSA-N 299.443 3.754 30 20 CHED C[C@@H]1C(=O)CC[C@@H]1C/C(O)=N/[C@@H]1CCO[C@@H](C(C)(C)C)C1 330009738 GKJXTDFVVUVUID-KYEXWDHISA-N 295.423 3.542 30 20 CHED CC[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1OC(F)F 437633767 YOKDYSOCTVESCH-SMDDNHRTSA-N 294.345 3.780 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@H](c3ccc(F)cc3)C2)n1 431489196 SSHPKQXNEGKGJQ-KOMQPUFPSA-N 281.334 3.759 30 20 CHED CCc1ccc(-c2ccc(C(=O)NCCCC#N)o2)cc1 342634506 PFBAERJURKQWHT-UHFFFAOYSA-N 282.343 3.543 30 20 CHED CCCc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 430763640 QRSFCLVMZWARHO-CQSZACIVSA-N 256.393 3.984 30 20 CHED CC(C)C1CCC(CNC(=O)c2cccc(CC#N)c2)CC1 432839335 LEYKIAFCAQXIIQ-UHFFFAOYSA-N 298.430 3.945 30 20 CHED CC(C)[C@H]1N(Cc2ccc(C#N)cc2F)CC12CCC2 430093674 GNTPDOIWXGLVRG-MRXNPFEDSA-N 272.367 3.708 30 20 CHED C=CCOCCCN1CCCC[C@@H]1c1ccc(C)o1 348060872 SDIFARWDYVBSAN-OAHLLOKOSA-N 263.381 3.708 30 20 CHED Cc1cc(NCc2ccccc2OCC2CC2)cc(C#N)n1 342350570 PTYZCOMRTOSXQU-UHFFFAOYSA-N 293.370 3.663 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 342109396 WEFRPCQVRVVWSU-BXUZGUMPSA-N 290.407 3.865 30 20 CHED Cc1cc(S[C@H](C)C2CCOCC2)ccc1C#N 600562899 SFAWUHRLJQTIBH-GFCCVEGCSA-N 261.390 3.774 30 20 CHED CC[C@@H](NCc1cccc(C#N)n1)c1ccc(Cl)cc1 602508343 BFWCMXDIMCRPJP-MRXNPFEDSA-N 285.778 3.848 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 349345800 WYBCWDYTXZBEBL-OIISXLGYSA-N 254.377 3.976 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2ccccn2)c(Cl)c1 527127567 CFWMJUUODDCMSA-KRWDZBQOSA-N 297.789 3.944 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H]1c1ccccc1 342687456 FIORVLTXDXUPJO-QGZVFWFLSA-N 287.403 3.723 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(C)c(OC)cc1Cl 345464804 VFMGMARMOLIPOG-LLVKDONJSA-N 297.782 3.577 30 20 CHED C=CCOCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 520497326 YKVVDRKWLRCBLY-UHFFFAOYSA-N 297.354 3.928 30 20 CHED C[C@H](CCC#N)CN1CCn2cccc2[C@H]1c1ccccc1 602442326 LYBQEQHESPEXAB-VQIMIIECSA-N 293.414 3.833 30 20 CHED C=CCC[C@H](NCc1ncc(C)n1C)c1ccccc1 341400469 XKDCCURULGIPRM-INIZCTEOSA-N 269.392 3.526 30 20 CHED N#CCCCCNC(=O)c1cc(F)ccc1-c1ccoc1 348207501 WZDRKFPKRUNHJR-UHFFFAOYSA-N 286.306 3.509 30 20 CHED CC(C)OCCCOc1cc(C#N)ccc1Br 601091017 GOZSFSOCDMSGPD-UHFFFAOYSA-N 298.180 3.515 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CCCOc2ccc(F)cc21 349449247 JPZHDRNJKDPRTD-IUODEOHRSA-N 263.356 3.984 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(C#N)c(OC)c1 442893249 XFCXOADCOBKVDQ-ZDUSSCGKSA-N 292.448 3.530 30 20 CHED Cc1cc(C)n(-c2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2F)n1 442855110 JMRKJIMWAXZTCQ-ZIAGYGMSSA-N 298.365 3.732 30 20 CHED CC(C)(C)OC1CC(CCN[C@H]2CCC[C@@H](C#N)C2)C1 446976386 WFGMKPADOVXSEY-FYRZTWFESA-N 278.440 3.642 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2ccc(C#N)s2)c1 254953469 BAOIGJVMTCYGKX-SREVYHEPSA-N 299.351 3.533 30 20 CHED C[C@H](CCC#N)CN1C[C@H]2CCCCN2c2ccccc21 602677095 SDRFCHQRRIJYCH-HZPDHXFCSA-N 283.419 3.805 30 20 CHED C=CCCCCNC(=O)N[C@H](C)c1cc(C)oc1C 351632303 JIGXDEMUFVJYMZ-GFCCVEGCSA-N 264.369 3.613 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cccnc2)CCCCC1 448589685 LOODYKXYUOPYSE-CQSZACIVSA-N 272.392 3.785 30 20 CHED Cn1c(S[C@@H](C#N)C2CC2)nc2cc(Cl)ccc21 601076215 KEVNEXLRCOQHMQ-LBPRGKRZSA-N 277.780 3.621 30 20 CHED CC[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1F 354677050 OTJHREZKBWNDKA-LLVKDONJSA-N 274.261 3.518 30 20 CHED C[C@H]1C[C@H](NC[C@H](C)CCC#N)CCN1Cc1ccccc1 602563918 IBBOYRQNEJHINX-ZIFCJYIRSA-N 299.462 3.569 30 20 CHED C[C@H]1CCCC[C@H]1CCN[C@H](C)CC1(C#N)CCOCC1 602550493 JQBUUQRPHPTEAG-BBWFWOEESA-N 292.467 3.891 30 20 CHED CC(C)COC[C@@H](NC[C@@H](C)CCC#N)c1ccco1 602529315 GAWHKVKTQNLNKS-LSDHHAIUSA-N 278.396 3.523 30 20 CHED Cc1cccc2c1CCCN2Cc1cccc(C#N)c1 609625715 SEGVCTBNUDLNJE-UHFFFAOYSA-N 262.356 3.820 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@@H](C)C1 354112340 XMGPBOBXSKKLOI-OCCSQVGLSA-N 285.391 3.755 30 20 CHED C=CC[C@H]1N(C(=O)c2occ3c2CCC3)CCCC1(C)C 355340990 LHWOFEQPDJOGPR-OAHLLOKOSA-N 287.403 3.975 30 20 CHED Cc1ccccc1C(C)(C)CN[C@H]1CC[C@@H](C#N)C1 442780739 LGYHXUFIBYUQKX-CABCVRRESA-N 256.393 3.555 30 20 CHED Cc1ccc(CNc2cccnc2C#N)c(OCC2CC2)c1 357542288 ZSKIJTTYPQBCFJ-UHFFFAOYSA-N 293.370 3.663 30 20 CHED C=CCN(Cc1ccc(-n2nc(C)cc2C)cc1)C1CC1 357527353 JXNCVZNHWHRXII-UHFFFAOYSA-N 281.403 3.640 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)C1CCCC1 610777627 GOVGFHABOBZVHE-ZDUSSCGKSA-N 264.413 3.791 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)c1cc(C)oc1C 351632306 JIGXDEMUFVJYMZ-LBPRGKRZSA-N 264.369 3.613 30 20 CHED C=CCC[C@@H](CC)NCc1cn(CCCC)nc1C 537016256 DRVQARWCMLYJPB-MRXNPFEDSA-N 263.429 3.826 30 20 CHED C=CCCCCCN1CCC[C@]2(CCCCO2)[C@H]1C#N 447902352 DXSYQLJXGUIBGU-IAGOWNOFSA-N 276.424 3.660 30 20 CHED CC(C)[C@@H](C)Sc1cc(C#N)ccc1[N+](=O)[O-] 613425767 GSDOGSCRAUOTKV-SECBINFHSA-N 250.323 3.603 30 20 CHED C=CCCCC[C@H](C)NCc1cccc(C(=O)NCC)c1 449083026 ADPFYLORXGNQOF-HNNXBMFYSA-N 288.435 3.661 30 20 CHED C=CCCCC[C@H](C)NCCC(=O)Nc1ccccc1 449137073 DIXFKEMPUNHTCA-HNNXBMFYSA-N 274.408 3.740 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1OC(C)C 538422579 PGXKFCUOCYWHPH-CQSZACIVSA-N 275.392 3.948 30 20 CHED COc1cc(C)ccc1[C@@H](C)NCCc1cccc(C#N)c1 619611774 UZSKJLBVQNMWJM-OAHLLOKOSA-N 294.398 3.769 30 20 CHED N#C[C@H](Cc1ccccc1)SCCC(F)(F)F 619460939 WTYAVFYSBZDAHK-NSHDSACASA-N 259.296 3.807 30 20 CHED N#C[C@@]1(F)CCN(CCCOc2cccc3ccccc23)C1 615637884 DIQSUCRKNOLQGY-SFHVURJKSA-N 298.361 3.546 30 20 CHED Cc1cccc2c(=NC[C@@]3(C)CCCS3)c(C#N)c[nH]c12 610716468 AGEVTJGWAVWHFU-QGZVFWFLSA-N 297.427 3.534 30 20 CHED CCCCc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 612236550 IIIJNKMBPYNYMV-SFHVURJKSA-N 284.403 3.795 30 20 CHED C[C@@H](NCc1cccc2[nH]ccc12)c1cccc(C#N)c1 610344655 CYDLRQSFGFSWJC-CYBMUJFWSA-N 275.355 3.890 30 20 CHED C=CC(C)(C)CNC(=O)NCc1cc(F)ccc1SC 454603767 ROFZWEIFKUNNBE-UHFFFAOYSA-N 296.411 3.559 30 20 CHED CC1CC(C#N)(C(=O)N2CCC[C@](C)(c3ccccc3)C2)C1 532323723 DVZQNLKZPGALRF-OBONGRFPSA-N 296.414 3.507 30 20 CHED Cc1nc(N[C@@H]2CC(C)(C)OC2(C)C)c(Cl)cc1C#N 360081731 HFVWXGRAZLUQMZ-GFCCVEGCSA-N 293.798 3.673 30 20 CHED C=CCCC(=O)N1CCN(C2CC2)c2ccc(Cl)cc21 361935654 HWYQBZVWXIOUBU-UHFFFAOYSA-N 290.794 3.622 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2occc21 618803967 JJYBEUTZESECRL-IAGOWNOFSA-N 278.355 3.806 30 20 CHED C[C@H](C(=O)NCCCCC#N)c1ccccc1C(F)(F)F 610227573 NDGYDIODQYTUAA-NSHDSACASA-N 298.308 3.619 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1CC1(C)C)c1ccccc1 535397105 CPLLYMUKEKQFNL-ZFWWWQNUSA-N 257.377 3.509 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1C1CC1 610859262 PXNZPTQCFLCNOG-QGZVFWFLSA-N 268.404 3.862 30 20 CHED N#CC1(C(=O)N2CCCC3(CCCCCC3)C2)CCC1 363267331 CUQIBYBTQKZHFK-UHFFFAOYSA-N 274.408 3.643 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452677493 IICSJPVHYVIEHE-NWDGAFQWSA-N 286.375 3.720 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 452775242 NRECFLDKNQVTTO-MNOVXSKESA-N 295.785 3.911 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCC[C@@H]1CCCCO1 360874435 SUFVBEAZYREASL-PKOBYXMFSA-N 298.430 3.875 30 20 CHED Cc1cnc([C@H](Nc2nccc(C)c2C#N)C2CC2)s1 612085734 NIMWLXCCXMSGIJ-CYBMUJFWSA-N 284.388 3.590 30 20 CHED C=CCC1(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CCCC1 450141468 SQCOGHWVBNQYHR-IXDOHACOSA-N 281.399 3.577 30 20 CHED C[C@H](CN(C)CCCCC(C)(C)C#N)C(=O)OC(C)(C)C 459830148 PZOGQIFQWWCCGD-CQSZACIVSA-N 296.455 3.616 30 20 CHED CC#CCCCc1nc(-c2ccc(CC)cc2)no1 545933365 FNDXSHXCPJKAOE-UHFFFAOYSA-N 254.333 3.645 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C[C@@H](CC#N)c1ccccc1 361840847 YRXBTRNSKMFPCF-QAPCUYQASA-N 297.402 3.519 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CC(C)C)c1ccccc1OC 362380782 SALYALGVVJOERK-UKRRQHHQSA-N 290.407 3.656 30 20 CHED CCC1(N[C@H]2CCCCc3cc(C#N)ccc32)CC1 453298356 SPAOCLHLXDNUHT-INIZCTEOSA-N 254.377 3.858 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1ccc(F)c(Cl)c1 540532086 MWRMFBRPIFUDRM-NSHDSACASA-N 299.773 3.719 30 20 CHED C=CC[C@H](CC)N[C@H](C)CC(=O)Nc1cccc(C)c1 545979711 USTPKGSQZZFHTN-CABCVRRESA-N 274.408 3.656 30 20 CHED C=CC[C@@H]1N(Cc2nc(C)c(C)o2)CCCC1(C)C 277927808 YMZDDBJXOYTPDC-AWEZNQCLSA-N 262.397 3.858 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2ccccc2CC1 456314206 OSZKPAFJTJGQCW-GOSISDBHSA-N 271.404 3.606 30 20 CHED C=CCN(C(=O)COc1ccccc1Cl)C(C)(C)C 622943226 TYZMJTDKTZKENC-UHFFFAOYSA-N 281.783 3.532 30 20 CHED C/C(=C\C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC1 365638339 ZVGKRCVFJJKDLQ-UQPQFNMUSA-N 294.398 3.641 30 20 CHED COc1cccc2c1OCC[C@H]2Nc1ccc(C#N)cc1F 361814767 UXEOWNTXZRPDFG-CQSZACIVSA-N 298.317 3.642 30 20 CHED N#CCc1ccc(CN2CCOc3c(Cl)cccc32)cc1 544145906 NLVFFXWLUOPFMN-UHFFFAOYSA-N 298.773 3.805 30 20 CHED C=CCCO[C@@H](C)c1nc(CSCc2ccco2)no1 273723652 MQWXSRBMCVJJKY-NSHDSACASA-N 294.376 3.750 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 278120007 LNBDLEGTPVWBCG-UHFFFAOYSA-N 288.391 3.567 30 20 CHED C[C@@H](NCC#Cc1ccc(F)cc1)[C@H](C)c1ccccc1 542542997 BUDQHBRGPDTHBD-JKSUJKDBSA-N 281.374 3.959 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)Cc1ccccc1OC 466534552 QRQNLPHPBNFXQR-OAHLLOKOSA-N 289.419 3.735 30 20 CHED CCCOc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 463239316 XSAFDTACWGCSIK-NVXWUHKLSA-N 286.419 3.956 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H](CCC)C1 466366925 NIRWWNWVEPFNSJ-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 625758780 IKPDZTBKDUWLID-FGTMMUONSA-N 283.415 3.777 30 20 CHED C=CCN(Cc1nc(CC)no1)Cc1ccc(Cl)s1 622778626 MOYXJMAZERLPIW-UHFFFAOYSA-N 297.811 3.535 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 465119437 HFRGAFMPXYTVCL-GJZGRUSLSA-N 295.382 3.812 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@@H](C)c1ccccn1 287531843 XNVYPNAEXCPSPZ-HNNXBMFYSA-N 289.423 3.921 30 20 CHED C=CC[C@@H](CC)NCc1cc(C(=O)OC)ccc1Cl 467523481 QWLWNTONHCIUFR-CYBMUJFWSA-N 281.783 3.571 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2ccccc2CC#N)c1 550100091 INBGTGDPKCJBKF-UHFFFAOYSA-N 292.382 3.941 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(-c2ccncc2)cc1 468029476 LOVUSIZXKUCJQS-IBGZPJMESA-N 294.398 3.967 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1cccc2ccccc12 468878700 IRBONXXRZFAMGC-ZDUSSCGKSA-N 280.371 3.957 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(C)c1Cl 281552505 ZCYHCURTFHVHIR-LLVKDONJSA-N 251.757 3.733 30 20 CHED C=CCN(CCc1ccccc1)CC1CC(OCC)C1 286091417 UHGRWQWTPJLLNR-UHFFFAOYSA-N 273.420 3.532 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccoc1C(C)C 286006185 QRLLXWCEVLETKS-UHFFFAOYSA-N 283.331 3.569 30 20 CHED C=CCC[C@H](CCC)N[C@@H](CC)C1CCOCC1 462102429 CASCYLYCPZYSOZ-HOTGVXAUSA-N 253.430 3.916 30 20 CHED CC[C@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)C(C)C 460042194 RUCMQIKLSLSIHJ-INIZCTEOSA-N 286.419 3.678 30 20 CHED C[C@H](C1CCCCC1)N(C)CCCC1(C#N)CCOCC1 554838062 ZICCPFUIGBOFLV-MRXNPFEDSA-N 292.467 3.988 30 20 CHED CCN(CC#N)Cc1ccc(Oc2ccc(OC)cc2)cc1 558310801 GSYPOWQDTGTJTM-UHFFFAOYSA-N 296.370 3.833 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(-c2ccc[nH]2)cs1 293011708 DRNDPXSTWKIIBO-UHFFFAOYSA-N 275.377 3.679 30 20 CHED N#CCCCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 292006432 BCIOMTSRGINRDL-WMLDXEAASA-N 290.382 3.577 30 20 CHED C=CCCCCNC/C=C/c1ccccc1[N+](=O)[O-] 472046743 BECXSSLXKVLEIU-CSKARUKUSA-N 260.337 3.554 30 20 CHED C=CCCN1CCCc2c([nH]c3c(F)cccc23)C1 558827407 WZBLCZGPVNUEHD-UHFFFAOYSA-N 258.340 3.631 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(C)cc1)C(C)(C)C 808315204 WUTRWENJTUXTRA-SJORKVTESA-N 298.430 3.889 30 20 CHED C[C@H](C#N)OCCSCC1CCC(C)(C)CC1 802752304 PNCAWWIRGWJFAQ-GFCCVEGCSA-N 255.427 3.865 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@]1(C)C(C)C 476086303 VHUJQHDRCWITIV-IEBWSBKVSA-N 298.430 3.979 30 20 CHED CCCC[C@H](C)C(=O)OCc1cccc(C#N)c1F 800274625 TWSCUJVIQGYXEI-NSHDSACASA-N 263.312 3.567 30 20 CHED CCCN(CC(C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 299438701 KJIWFFQUBYXTCF-AWEZNQCLSA-N 287.407 3.697 30 20 CHED C=CCN(CCOC)C(=O)c1cc(CC)c(CCC)s1 478218957 UNFVDDWYKZBSAF-UHFFFAOYSA-N 295.448 3.538 30 20 CHED CC(C)C1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 476104552 ASHWBNMIKCUPQF-SFHVURJKSA-N 298.430 3.969 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@]1(C#N)CC12CCCC2 298830157 ZWWVULNDMISBTM-GOSISDBHSA-N 294.354 3.500 30 20 CHED C=CCN(C(=O)Nc1c(F)cccc1Cl)C1CC1 566187663 UXSVUDJQHMEBAM-UHFFFAOYSA-N 268.719 3.661 30 20 CHED C=C(C)CCNc1cc(Cl)cc(C(=O)OC)c1 809188372 KAKPVSYENXMREO-UHFFFAOYSA-N 253.729 3.505 30 20 CHED CCC(CC)[C@H](NCCO[C@@H](C)C#N)c1cccs1 801937110 DOSPRMNEEQGHQY-WFASDCNBSA-N 280.437 3.744 30 20 CHED C[C@H]1CC[C@@H](C=NNc2nc3cc(F)c(F)cc3[nH]2)C1 800810517 SQHVAFRKZGRXLG-DTWKUNHWSA-N 278.306 3.675 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(C(C)(F)F)cc1 295513898 FPWIKGHZCITWBQ-UHFFFAOYSA-N 267.319 3.627 30 20 CHED CCC(CC)n1ccc(CN2CCC(CCC#N)CC2)n1 399295324 CRVWAVXYDRENHL-UHFFFAOYSA-N 288.439 3.760 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1c1cccs1 291069368 QKQLCXCESKBNFI-CYBMUJFWSA-N 288.420 3.566 30 20 CHED N#Cc1cc(F)ccc1N1CCC(CC(F)(F)F)CC1 561351489 JMCIUVLXCSJTKC-UHFFFAOYSA-N 286.272 3.866 30 20 CHED C#C[C@@H](CC)NCc1ccc(-c2cccc(F)c2F)o1 809686432 RLYLKECPAUXZBY-NSHDSACASA-N 275.298 3.726 30 20 CHED C=CCCCCCCNC(=O)[C@H](C)Oc1ccccc1F 805218154 UCEFXTRLFXEEAC-AWEZNQCLSA-N 293.382 3.846 30 20 CHED CCC[C@H](C(=O)OCCCSCC#N)c1ccccc1 805366954 RMHZEQCVNRWOAT-HNNXBMFYSA-N 291.416 3.760 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(C=O)c[nH]1 815090863 RFETYOODELHTSQ-UHFFFAOYSA-N 278.396 3.650 30 20 CHED Cc1cc2sc(C(=O)N[C@@H](C#N)C3CC3)c(C)c2cc1C 486452038 PVGWPZHXDNFLEP-AWEZNQCLSA-N 298.411 3.859 30 20 CHED C[C@H]1CCCN(c2ccc(CNCCC#N)cc2Cl)C1 819291435 UYNRFPRSLNOOJN-ZDUSSCGKSA-N 291.826 3.580 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CC2(C)C)c1 488321089 DWXGEDKCZBFHLP-HNNXBMFYSA-N 288.391 3.904 30 20 CHED C=CCN(C(=O)NCCc1ccc(Cl)c(C)c1)C(C)C 813178191 AANYCLYYWBDWBC-UHFFFAOYSA-N 294.826 3.797 30 20 CHED C=C(C)[C@H](N[C@@H](CC)[C@H]1CCOC1)c1ccc(F)c(F)c1 480671289 XLULDFONYGYJNZ-JQFCIGGWSA-N 295.373 3.987 30 20 CHED N#CCCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 483737088 ZOARNOCQZDUCEJ-KZNAEPCWSA-N 268.404 3.948 30 20 CHED C#Cc1ccccc1CC(=O)N(C)C(C)(C)c1ccccc1 813249731 PLUQSRKVDZDUMK-UHFFFAOYSA-N 291.394 3.604 30 20 CHED C[C@H]1CC(=NOC2CCC2)c2ccsc2S1 812237410 YYIBFHIVEYBCQB-QMMMGPOBSA-N 253.392 3.906 30 20 CHED N#Cc1ccc(N2CC=C(c3cccc(Cl)c3)CC2)nc1 480628757 AYSPJMSHLNFWMQ-UHFFFAOYSA-N 295.773 3.900 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2(F)CCCCC2)cc1 813248689 QKVSHCZPOMUBFW-OAHLLOKOSA-N 288.366 3.602 30 20 CHED C=CCn1c(SCCC=C(C)C)nnc1C1CC1 657230367 ROSSJMCVFHOAIB-UHFFFAOYSA-N 263.410 3.790 30 20 CHED N#Cc1cccc(C(=O)Oc2ccc(C3CC3)cc2Cl)n1 816216182 AMAJFEDBPSVINB-UHFFFAOYSA-N 298.729 3.703 30 20 CHED Cc1nc(Oc2ccc(OC(C)C)cc2)ccc1C#N 488047131 GYHXUYOHFFORMD-UHFFFAOYSA-N 268.316 3.841 30 20 CHED C=CCCCCN[C@H](c1cccs1)C1(CO)CCC1 650323831 RMGJDZUREYEABL-OAHLLOKOSA-N 279.449 3.898 30 20 CHED CON(C[C@@H]1CCC[C@H](C)C1)C(=O)CCCCCC#N 812423374 QZAZDSGBKXUKMZ-LSDHHAIUSA-N 280.412 3.677 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(-c2ccco2)nc1C 488868550 OUHOGZAOCKSSFD-AWEZNQCLSA-N 296.370 3.831 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 815032092 BBHZEAHHPHHZJN-RISCZKNCSA-N 271.351 3.625 30 20 CHED CCCCSCC(=O)N(C)[C@H](C)c1cccc(C#N)c1 819736125 CFZXNFOSSVVMKD-CYBMUJFWSA-N 290.432 3.611 30 20 CHED C=CCCCCCCCNC(=O)c1cccnc1Cl 810768524 PBKCHCIWTJJOKB-UHFFFAOYSA-N 280.799 3.991 30 20 CHED C[C@@H]1CCC(=NNc2nc(-c3ccc(Cl)cc3)no2)C1 814848234 FRXZAHLDOLMPPR-SECBINFHSA-N 290.754 3.978 30 20 CHED N#Cc1cc(F)cc(C2(c3nc(CCC4CC4)no3)CC2)c1 578173575 NXGFDGWGBVFCCL-UHFFFAOYSA-N 297.333 3.503 30 20 CHED C=CCOCCOC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 815168027 INZUQWZTWHHBMI-GOEBONIOSA-N 276.376 3.562 30 20 CHED CC(C)Oc1ccc(NC(=O)C2CC3(CCC3)C2)cc1C#N 573325509 IOGJTTXBJKVAAD-UHFFFAOYSA-N 298.386 3.864 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C 811926404 CKHIFTIYGMJAQN-JKSUJKDBSA-N 296.455 3.722 30 20 CHED Cn1cc(CNC2(c3ccccc3)CCCCC2)cc1C#N 480376982 MNLTYVJBQMWZPU-UHFFFAOYSA-N 293.414 3.846 30 20 CHED C=C1CCN(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 486257157 MOZKTQJMOUFTIK-UHFFFAOYSA-N 298.430 3.713 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(Cl)c(C)c1 654248409 CYICUYVAMMARMC-LLVKDONJSA-N 267.756 3.568 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)c2ccc(CC)cc2)c1 727707740 WBYNWAYTBKHLFU-AWEZNQCLSA-N 277.367 3.973 30 20 CHED CC(Cc1ccsc1)=NNc1cnc2ccccc2n1 729638871 JJGABPNKBDMKEW-UHFFFAOYSA-N 282.372 3.722 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1C 490060397 PYGIXXXYMIQCGR-JKSUJKDBSA-N 271.404 3.817 30 20 CHED Cc1cc(Br)ccc1NN=Cc1ccncc1 728433189 WSHIKVRSWKSBBX-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=CCOCC(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 729758448 KQAFAAYMJDQLJB-VIFPVBQESA-N 289.158 3.800 30 20 CHED Cc1cc(F)cc2c(N3CCC[C@@H]4C[C@@H]43)c(C#N)cnc12 588066175 IRHYSSSCRBGHGS-ABAIWWIYSA-N 281.334 3.543 30 20 CHED N#Cc1cc(NC(=O)C2(C(F)F)CCCC2)ccc1Cl 582202306 CMYCJJJKDIRAIO-UHFFFAOYSA-N 298.720 3.976 30 20 CHED COc1cc(C#N)cc(Cl)c1OCc1cccnc1C 589264386 LKKGAYCLINQYOM-UHFFFAOYSA-N 288.734 3.503 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1cc(F)ccc1O 734301799 PUWBFUYSICWPAA-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C=CCC1(N[C@H](C)[C@@H](C)c2ccccc2)CCOCC1 668552161 GCVGOZCDGXJUIL-HZPDHXFCSA-N 273.420 3.894 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](CC)C1CC1 661865515 UGTKBCSWZIXHGH-KRWDZBQOSA-N 286.419 3.963 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)/C=C\C2CCCCC2)C1 735472527 SROPMGHCJLBSHG-FFSGALRQSA-N 274.408 3.712 30 20 CHED C=CCCNC(=O)N(CCC)[C@H]1CCc2ccccc21 661572709 XSFSDICZWVFDSA-INIZCTEOSA-N 272.392 3.672 30 20 CHED CC#CCCCC(=O)OCc1cc2cc(F)ccc2[nH]1 822330954 MVZGKODECHDCMG-UHFFFAOYSA-N 273.307 3.544 30 20 CHED C[C@H](CC(=O)N(CCC#N)c1ccc(F)cc1)C1CC1 732094684 ZWTRXPQGANZEIV-GFCCVEGCSA-N 274.339 3.509 30 20 CHED Cc1cc(Cl)c2c(c1)[C@H](NCC1(C#N)CC1)CCCO2 903106396 PDVXQYPGGKSVBX-CQSZACIVSA-N 290.794 3.756 30 20 CHED C=CC[C@H]1N(CCC(C)(C)C(=O)O)CCCC1(C)C 902544788 CGZFIEAHAPWBIL-CYBMUJFWSA-N 267.413 3.554 30 20 CHED C#Cc1cccc(NCc2coc(C(C)(C)C)n2)c1 901364208 PWBDNJTZZYOVSN-UHFFFAOYSA-N 254.333 3.566 30 20 CHED N#Cc1cc(N[C@H]2CC[C@H](F)C2)ccc1C(F)(F)F 588840883 BHQRGUIWMMWZFE-ONGXEEELSA-N 272.245 3.880 30 20 CHED C=CCCN1CCC(c2cc3ccccc3[nH]2)CC1 739912602 OLTHHJDPINNYTK-UHFFFAOYSA-N 254.377 3.923 30 20 CHED C[C@H](OC(=O)CCC(C)(C)C)c1cccc(C#N)c1 739171134 XQINHWQJWGDBLU-LBPRGKRZSA-N 259.349 3.989 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cncn1C(C)C)CC2 901478966 YKBRGOHICWRPAA-RIYZIHGNSA-N 296.370 3.685 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc3c(c2)CCO3)c1F 588619269 WFIXCWQLQSEFPM-ALCCZGGFSA-N 298.313 3.665 30 20 CHED CC(C)Sc1ccccc1NC(=O)C#CC1CC1 837470924 NKLQNSPMYQTQAN-UHFFFAOYSA-N 259.374 3.539 30 20 CHED Cc1ccccc1[C@H](NC(=O)C#CC(C)(C)C)C1CC1 837413762 QXDMHVWBFVVCBN-QGZVFWFLSA-N 269.388 3.612 30 20 CHED Fc1ccc(NN=C2CCC[C@H]2c2ccccc2)nc1 732532894 VMFNVJLAVPLBCC-AWEZNQCLSA-N 269.323 3.956 30 20 CHED CCCCCCCCCNC1(CO)CCSCC1 839178834 IMJNHAVROOKNPL-UHFFFAOYSA-N 273.486 3.585 30 20 CHED C#CCCCC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 839832631 ZBBLZUHTNZPXDS-GDBMZVCRSA-N 289.806 3.896 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@H](C)C1 593967778 YRGUGFXEIZWTIR-VKJFTORMSA-N 298.430 3.679 30 20 CHED Fc1ccc(C#CCN(C2CCCCC2)C2CC2)cc1 676555908 JYFFLEWXADJYJO-UHFFFAOYSA-N 271.379 3.974 30 20 CHED CCCC[C@H](C(=O)Nc1cc(C)nn1CCC#N)C(C)C 598683390 FMKHEGMNURWABZ-AWEZNQCLSA-N 290.411 3.506 30 20 CHED N#CCC1(COc2ccc(Oc3ccccc3)nc2)CC1 596272444 QNFOOVQVCJBMLK-UHFFFAOYSA-N 280.327 3.947 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)Cc1ccsc1 918713088 UZWMEZJCDAEAGC-RCEBRVLHSA-N 275.373 3.512 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)NCc1cc(C#N)ccc1F 742733593 FLVZZSMTPYGETO-TZMCWYRMSA-N 288.366 3.530 30 20 CHED C=CCCN(C)C(=O)CCSc1cccc(Cl)c1 676686202 YSSUKHLDHHPUGR-UHFFFAOYSA-N 283.824 3.857 30 20 CHED CSc1ccc(C=NNc2ccc(Cl)nc2)cc1 743449799 BKRDXZWYRNSIJK-UHFFFAOYSA-N 277.780 3.903 30 20 CHED COc1ccc(CCNN=C2C[C@H](C)C[C@@H](C)C2)cc1 747764599 PTSGBLNYDQJLAS-ZIAGYGMSSA-N 274.408 3.639 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(OC(C)C)cc1Cl 593636521 MOJUEDKWPSCPHK-SNVBAGLBSA-N 280.755 3.615 30 20 CHED CCCOc1cccc(C(=O)Oc2ccc(C#N)cc2)c1 915872566 NENHTKPLVXWDLM-UHFFFAOYSA-N 281.311 3.566 30 20 CHED COCCOCc1cccc(-c2cc(C#N)ccc2C)c1 592985931 IZPRTWZDXQATGR-UHFFFAOYSA-N 281.355 3.697 30 20 CHED CC(C)(C/N=C\c1ccccc1O)c1ccc2c(c1)OCO2 746682941 FUQSGZFETLPDSV-GRSHGNNSSA-N 297.354 3.518 30 20 CHED CC(C)CON=Cc1cc2cnn(C(C)C)c2nc1Cl 749636492 MFMSHMMAIKKTOI-UHFFFAOYSA-N 294.786 3.672 30 20 CHED COc1cccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1O 846145159 OYJQBDQNVZQADQ-OLZOCXBDSA-N 296.370 3.684 30 20 CHED CCN(CC#N)Cc1cc2cc(Cl)ccc2nc1Cl 846792039 KTUPBHLCSBNANO-UHFFFAOYSA-N 294.185 3.887 30 20 CHED N#Cc1cccc(-c2cc(F)ccc2OC[C@H]2CCCO2)c1 592982953 CPNMCIJIJKJUJF-MRXNPFEDSA-N 297.329 3.922 30 20 CHED C=CCN(C(=O)Nc1nc(C(C)(C)C)cs1)C(C)C 916707821 WAGHFDVTCXUYQG-UHFFFAOYSA-N 281.425 3.869 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(c2ccc(F)cc2)CCC1 684893382 JOYYJZHLDAEPCZ-OAHLLOKOSA-N 290.382 3.859 30 20 CHED C=C(C)CNC(=S)Nc1ccc(SC)c(Cl)c1 747670386 DRIYPSZPPILXCZ-UHFFFAOYSA-N 286.853 3.924 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCC(=O)c2ccccc2)C1 912389188 QQJDAWKLDANZMN-MRXNPFEDSA-N 299.414 3.854 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)Nc1cccc(C)c1C 748240696 RRZXQHHTIKENPP-CQSZACIVSA-N 289.375 3.530 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(CC#N)cc1 592391656 VMBJJGRPBIMSJJ-YJYMSZOUSA-N 294.373 3.915 30 20 CHED Cc1ccc(C=NNc2cccc(Br)c2)o1 745988028 OEHWJBMQAQBDCJ-UHFFFAOYSA-N 279.137 3.797 30 20 CHED CCC(CC)[C@@H]1C[C@H](Nc2nc(C#N)ccc2C)CCO1 596184602 CMCOEJTWNZSEFF-ZBFHGGJFSA-N 287.407 3.657 30 20 CHED COc1cccc(/C=N\[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1O 741845408 TXDFOXBXKUGYMH-SENGUPFNSA-N 273.376 3.789 30 20 CHED CC[C@@H](/N=C\c1cc(Cl)ccc1O)C1CCOCC1 746394797 RMGSPPZFGLMDJQ-AYCSXLNKSA-N 281.783 3.670 30 20 CHED COc1cccc(/C=N/C[C@H]2CCCCC2(F)F)c1O 840708003 TWZKPOBOYFODDG-KBSHCFNASA-N 283.318 3.645 30 20 CHED Cc1ccc(-c2ncc(C=NNC[C@H](C)C#N)s2)cc1C 848407723 SOAOSKWFDRSJPN-LLVKDONJSA-N 298.415 3.510 30 20 CHED CCCCCCCN1CCc2c(cccc2C(=O)O)C1 131625974 LYIOLXUSUNQELJ-UHFFFAOYSA-N 275.392 3.713 30 20 CHED CC1(C)CCC(C=NNc2ccc(CC(=O)O)cc2)CC1 848414737 BUPNNDMNHMQCOG-UHFFFAOYSA-N 288.391 3.928 30 20 CHED CC(C)CC(=NNC(=S)N(C)C)c1ccc(Cl)cc1 740762053 XZLSDSCMKUHWIJ-UHFFFAOYSA-N 297.855 3.526 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1C[C@H]1C1CCC1 845219827 NHJVDJRQFRIVAS-UONOGXRCSA-N 263.381 3.686 30 20 CHED Fc1ccc(NN=C2CCc3ccccc3C2)cc1 745843504 MJDGZYBDPKZTOL-UHFFFAOYSA-N 254.308 3.783 30 20 CHED CSCC1(CC(=O)O[C@H](C)c2ccc(C#N)cc2)CC1 844416379 NJYRBZLUEAOSLK-GFCCVEGCSA-N 289.400 3.696 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1(c2ccccc2F)CC1 925883678 MACAREBLQBHRAE-LBPRGKRZSA-N 260.356 3.733 30 20 CHED CC(C)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cn1 928622736 VGGPZJONUJMXAZ-UHFFFAOYSA-N 293.370 3.648 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccccc1Cl)C(C)C 754005459 DGGQUQQXULJKIU-ZDUSSCGKSA-N 279.811 3.942 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCC[C@H]([S@@](C)=O)C1 850501643 OGESCACRKBGPBO-CYJAXWMASA-N 285.497 3.791 30 20 CHED C#CCOCCC(=O)Oc1cc(C)c(Cl)cc1C(C)C 756486112 FRABNBIXCWVESW-UHFFFAOYSA-N 294.778 3.717 30 20 CHED C[C@@H](CC=NNc1ncccc1[N+](=O)[O-])c1ccccc1 755770269 XKQVRMJETZXBKZ-LBPRGKRZSA-N 284.319 3.581 30 20 CHED Cc1ccc(NN=Cc2cn(-c3ccccc3)nc2C)cc1 755466299 YZWHBBULWLKWEI-UHFFFAOYSA-N 290.370 3.935 30 20 CHED CCOc1ccc(C=Nc2cccc(C)c2)c(O)c1 920943420 HMYXVYDQBXMIKG-UHFFFAOYSA-N 255.317 3.850 30 20 CHED CC(C[C@H]1CCOC1)=NNc1nc2ccccc2s1 751516145 FYXNMLBCLGKLBJ-LLVKDONJSA-N 275.377 3.511 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1nonc1C)c1ccc(F)c(F)c1 926208082 YXDIBCQLIZUJHC-XPTSAGLGSA-N 293.317 3.624 30 20 CHED COCCON=Cc1cccc(-c2ccc(C)cc2)c1 757584115 LMJIEOIZWDCPPT-UHFFFAOYSA-N 269.344 3.659 30 20 CHED CC(=NNc1cc(C)ccn1)c1cc(C)ccc1C 755901484 WORIRTYCRBOZBG-UHFFFAOYSA-N 253.349 3.843 30 20 CHED CCC(=CC(=O)N(CCC#N)c1ccc(F)cc1)CC 759196491 LJMKANBAQWNMHV-UHFFFAOYSA-N 274.339 3.819 30 20 CHED CC(=NNC(=S)Nc1ccc(C)c(C)c1)c1ccoc1 755879547 LXQYTJQBTYSUPF-UHFFFAOYSA-N 287.388 3.607 30 20 CHED COc1ccsc1/C=C1/Cc2c(F)cc(F)cc2C1=O 751536446 QFYBKLNCSLNEEP-YVMONPNESA-N 292.306 3.857 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1cccc(Cl)c1 759174344 SIXZWYWLHMFJLI-NSHDSACASA-N 250.725 3.748 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)ccc1F 756265370 HRFXVTKYECBTRK-WAPJZHGLSA-N 296.257 3.502 30 20 CHED C=CC(C)(C)CCOC(=O)/C=C\c1cnc(C)s1 851299456 MPORRBICBJCMKU-SREVYHEPSA-N 265.378 3.610 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cnn(C2CCC2)c1 921980741 NVJTVIKZNVEHOK-ZDUSSCGKSA-N 296.374 3.511 30 20 CHED CCCCCCCCC(=O)NCc1cccc([N+](=O)[O-])c1 921289143 VOXXRBUMGVAPTE-UHFFFAOYSA-N 292.379 3.962 30 20 CHED C=C[C@@H](OC(=O)CC[C@H]1CCCCO1)c1ccccc1 851454307 ZUECFJOWTPYSSG-HZPDHXFCSA-N 274.360 3.806 30 20 CHED C=CCOc1ccc(OC(=O)C2(CC)CCC2)cc1 751287212 RZBKLEXAEVQXQY-UHFFFAOYSA-N 260.333 3.737 30 20 CHED CCc1ccc(C=NOCc2cc(C3CC3)no2)cc1 853642295 JPLSCFLKQKSZFT-UHFFFAOYSA-N 270.332 3.665 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(C(F)F)nc1 853349860 KEYSROQQPIIMNL-SECBINFHSA-N 256.296 3.806 30 20 CHED CCCCCCCCC/C=C/C(=O)Nc1nnc(C)n1C 753132251 WBRUQBCOVQUIBM-OUKQBFOZSA-N 292.427 3.759 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C=C1/CC[C@H](C)C1 753633251 UJSKZTACIXFHQX-IXJPEXDMSA-N 285.343 3.609 30 20 CHED COc1cccc(COC(=O)[C@]2(C#N)CC23CCCC3)c1C 857661062 GOLKKXHJZNLLQR-GOSISDBHSA-N 299.370 3.521 30 20 CHED CC(CCCCC#N)=NNc1ccnc(Cl)c1 853396447 AHOGZRKDTFUBGG-UHFFFAOYSA-N 250.733 3.607 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)C/C(C)=C\c1ccccc1 755279696 LYHNBVNDEQRNJR-AKMXKPQHSA-N 284.403 3.533 30 20 CHED C=C[C@H](CC)CC(=O)N1CC=C(c2cccc(OC)c2)C1 935290489 ORBBAUNDTUINII-CQSZACIVSA-N 285.387 3.523 30 20 CHED C#CCCCC(=O)Nc1cc(C)cc(C(F)(F)F)c1 758072641 JGIQTQUJQJEAAX-UHFFFAOYSA-N 269.266 3.756 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1349707309 RFJZLDOIUNXGKD-XYPYZODXSA-N 276.767 3.976 30 20 CHED CCc1ccc(C(CC(C)C)=NN(C)CCOC)cc1 863111792 JMAICURNNQMJSQ-UHFFFAOYSA-N 276.424 3.577 30 20 CHED CC(=NNc1ncc(F)cn1)c1cccc2ccccc12 760253980 LBCBDXYTWAZZBX-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCc2sccc21)C(C)C 768516248 BATGXGSBHMADGC-CYBMUJFWSA-N 278.421 3.732 30 20 CHED Cc1cc(OC(=O)/C=C\c2ccc(Cl)nc2)ccc1C#N 765096607 ZQTXJWHXSQAWQU-CLTKARDFSA-N 298.729 3.534 30 20 CHED C/C=C(/C=C/C(=O)OCc1ccc(F)c(C#N)c1)CC 767662365 WCWGFWYRMCBBIC-ZPFJFLCSSA-N 273.307 3.653 30 20 CHED COc1ccsc1C(=O)/C=C/c1cccc(C)c1 769744073 GHAQDDAPARDYTO-VOTSOKGWSA-N 258.342 3.961 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(CC(F)(F)F)CC1 935884276 WZJMEEOSPBTNKP-NSHDSACASA-N 277.330 3.780 30 20 CHED c1ccc(COCCCNN=C2CC[C@H]2C2CCC2)cc1 863177025 FIKKPGRSWIRIIM-KRWDZBQOSA-N 286.419 3.749 30 20 CHED CC#CCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767880983 DTOBTPLCKSQUSL-ZDUSSCGKSA-N 267.294 3.518 30 20 CHED C=C(Cl)COC(=O)[C@H](CC)c1ccc(F)cc1 764647341 QBAMATIMUCNECT-GFCCVEGCSA-N 256.704 3.615 30 20 CHED C=CCN(C(=O)Cc1ccc(C(C)(C)C)cc1)C(C)C 765417223 OXXGNERZYCZMOW-UHFFFAOYSA-N 273.420 3.950 30 20 CHED CCCCCCCC(=O)Oc1ccc2nccnc2c1 760755906 NXBRELWKFQNSAP-UHFFFAOYSA-N 272.348 3.896 30 20 CHED COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)ccc1F 1116377864 QZKBXOLGNNMXJJ-RIYZIHGNSA-N 282.314 3.965 30 20 CHED Fc1ccc(NN=Cc2nc(-c3ccccc3)c[nH]2)c(F)c1 1116026029 XUPVKIFVIKMZFB-UHFFFAOYSA-N 298.296 3.801 30 20 CHED Cc1c(Cl)cccc1C=NN[C@@H]1CCOC(C)(C)C1 872365976 MCWMDWHLCHMVSI-CYBMUJFWSA-N 280.799 3.530 30 20 CHED CCC(CC)(CC)NC(=O)Nc1ccc(OCC#N)cc1 1116121248 LADYILMZWYVVAE-UHFFFAOYSA-N 289.379 3.679 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C(C)=C(\C)CC 779740158 ILGKNHUTKCRAHD-VAWYXSNFSA-N 273.332 3.609 30 20 CHED C=C(C)CCOC(=O)[C@H]1Cc2ccc(C)cc2S1 1117150342 MVXTXVYXJULNSG-CQSZACIVSA-N 262.374 3.521 30 20 CHED N#CCc1cccc(NCc2cccc(C(F)F)c2)n1 1116687410 YBUFEQHJGCQHPZ-UHFFFAOYSA-N 273.286 3.697 30 20 CHED Cc1ccc([C@H](C)OC(=O)Cc2ccccc2CC#N)cc1 777036704 MZZBIDFDNDSVMS-HNNXBMFYSA-N 293.366 3.908 30 20 CHED C#CCCCCC(=O)NC1(c2ccc(F)cc2)CCC1 773286133 TVKOSCUFNINNAB-UHFFFAOYSA-N 273.351 3.515 30 20 CHED C=CC(C)(C)CC(=O)NC1(c2cccc(F)c2)CC1 878924991 WTROGEGDVNTTJG-UHFFFAOYSA-N 261.340 3.533 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2ccc(Cl)cc2)o1 1116615540 DTFLLATUMFVXCC-CQSZACIVSA-N 291.778 3.891 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CCO[C@H](C)C1 776306676 PJAZUEIWXNBHOY-XHSDSOJGSA-N 283.456 3.914 30 20 CHED CCCCCCCC(=O)N[C@@H](CO)[C@H](C)c1ccccc1 771486619 RBRIVHCDTQCXEA-WBVHZDCISA-N 291.435 3.628 30 20 CHED O=C(C1CCCC1)N1CCCSC1=Nc1ccccc1 871596058 AOXAXSWGWOOQBZ-UHFFFAOYSA-N 288.416 3.830 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccccc1C 779877505 QVPSOEPKNDXMOH-UHFFFAOYSA-N 257.377 3.537 30 20 CHED Cc1ccc([C@H](O)CN[C@@H](CCC#N)c2ccccc2)cc1 775553846 RCIMKMILXRKZLG-RBUKOAKNSA-N 294.398 3.663 30 20 CHED C=C(C)CCC(=O)Nc1ccc(CCN2CCCC2)cc1 1120592547 IBFJEPQIOQCBLR-UHFFFAOYSA-N 286.419 3.620 30 20 CHED N#Cc1cccc(COC(=O)C2=CCCCCC2)c1F 775053959 LDKOZRKNOFBTNW-UHFFFAOYSA-N 273.307 3.631 30 20 CHED C#CCCCCCc1nc(-c2ccc(C)cc2)no1 779742044 GCGBBNDLHZSZPD-UHFFFAOYSA-N 254.333 3.781 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1F 1127042086 CBZOWKBJQTVEIV-AWEZNQCLSA-N 288.366 3.738 30 20 CHED CCOCCC=NNCc1ccc(-c2ccccc2)cc1 788433994 PJWWFPQPFREIGU-UHFFFAOYSA-N 282.387 3.856 30 20 CHED Cc1c(Cl)cnc(NC[C@@H]2CC2(Cl)Cl)c1C#N 784140608 UZTGTOOTSXTGED-ZETCQYMHSA-N 290.581 3.521 30 20 CHED FC(F)Oc1ccc(NN=CCC2CCOCC2)cc1 788714425 BQVMSKTVMLCDCZ-UHFFFAOYSA-N 284.306 3.502 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(C#N)ccc1F 1126756631 QWSZXLRZFKXXMZ-NHYWBVRUSA-N 288.366 3.642 30 20 CHED CCc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1CC 1124340719 JHRALCWREFOHPI-UHFFFAOYSA-N 278.355 3.935 30 20 CHED C=CCN(C(=O)Nc1cccc2c1OC(C)(C)C2)C(C)C 789393024 RZJAYQSVQHLINM-UHFFFAOYSA-N 288.391 3.828 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H]2CC=C(C)CC2)c1 788646073 QMJALZWZHKUNGD-IRXDYDNUSA-N 284.403 3.956 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2ccc(C#N)cc2Cl)c1 788361026 RXMPNUZZBSQOGK-FNORWQNLSA-N 292.725 3.979 30 20 CHED CCCCC(C)=NNc1nnc(-c2ccccn2)s1 788026958 IFUAPVYLLIIBGN-UHFFFAOYSA-N 275.381 3.578 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)cc1 899341272 YEMNGHICOMLFHR-IZZDOVSWSA-N 296.370 3.903 30 20 CHED CC(=NNCC1(C)CCCC1)c1cnn(C(C)C)c1C 793081006 GSCKJRJEDUBBHX-UHFFFAOYSA-N 276.428 3.666 30 20 CHED COCC(C)(C)C/N=C/c1c(O)ccc2ccccc12 793657755 XIQQIPRBSPWJNB-VCHYOVAHSA-N 271.360 3.637 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 798007090 OZXWZIAZMDLFNK-SAABIXHNSA-N 290.366 3.736 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1cc(C2CC2)no1 799296649 IKYBKQIIPCUPEL-UHFFFAOYSA-N 299.326 3.508 30 20 CHED Cc1ccccc1C(=NNc1cccc(F)n1)C1CC1 795005790 DUSKKHYSOUSQQP-UHFFFAOYSA-N 269.323 3.755 30 20 CHED C#C[C@H](CC)NC(=O)c1c(Cl)cccc1C(F)(F)F 712552140 CMMDDFZZXKRYKK-MRVPVSSYSA-N 289.684 3.500 30 20 CHED Cc1ccc(C)c(C=NNc2cccc(Cl)n2)c1 793175483 VSRMOTWNYRNEGO-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CCCCCCCCCN1C[C@@H](N2CCOCC2)C[C@H]1C 796376731 JWQBJPQMILWKFC-MSOLQXFVSA-N 296.499 3.532 30 20 CHED COc1cc(CNCc2ccccc2C(C)C)ccc1C#N 799342175 DHGLRDBMVCXYNT-UHFFFAOYSA-N 294.398 3.980 30 20 CHED COc1cccc(NN=C[C@@H](OC(C)C)c2ccccc2)n1 793040935 ZEWHLNCNEDNDNI-OAHLLOKOSA-N 299.374 3.654 30 20 CHED COC(=O)C[C@@H]1CCC(=NN[C@@H]2CCCCC2(C)C)[C@H]1C 794538620 UBWZMOWXEAAWCB-KCQAQPDRSA-N 294.439 3.510 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2ccc(C#N)o2)cc1 796883558 QSPRQPVETMEBGL-HOTGVXAUSA-N 295.338 3.953 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1nc(C2CC2)cs1 797256097 YBIXUFGTZTYIBH-YMTOWFKASA-N 278.377 3.565 30 20 CHED Cc1cc(NC(=O)c2ccc(C)c(C#N)c2)ccc1F 799332041 RRJWZSJMCUIESJ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=CCOC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 797510783 RNUHKAPIMOCPOA-UHFFFAOYSA-N 297.141 3.522 30 20 CHED Fc1ccccc1CCNN=Cc1ccc2occc2c1 794917638 GPZZEBOTWKZVAN-UHFFFAOYSA-N 282.318 3.738 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2nc(C)sc2c1 767043587 BWOFIHJMRHOWHZ-UHFFFAOYSA-N 272.373 3.593 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O 785996615 GBLFQISYEFHNJO-CQSZACIVSA-N 293.794 3.789 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1c[nH]nc1C(C)(C)C)C2=O 1318026746 DLEKSSYBEJCWOW-UKTHLTGXSA-N 280.371 3.838 30 20 CHED Cc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c(C)n1 1319983526 HYFZUGTWADLBLW-NSHDSACASA-N 269.323 3.882 30 20 CHED CCc1oc2ccccc2c1C(=O)N1CCC[C@](C)(C#N)C1 1320209804 ZGOISUMGNRTJKE-GOSISDBHSA-N 296.370 3.761 30 20 CHED N#CCc1cccc(N[C@@H]2CCCOc3ccc(F)cc32)n1 1325711023 ZUCSPMRRMDPVAJ-OAHLLOKOSA-N 297.333 3.613 30 20 CHED C=C(C)[C@@H](Cc1nnc(-c2cc(C)cs2)o1)OCC 1329213800 AFCKGVGFZOUQQJ-LLVKDONJSA-N 278.377 3.630 30 20 CHED CC#CCS[C@H](C)c1nccn1-c1ccccc1 1324105651 VEOHXFXBFCRVTC-CYBMUJFWSA-N 256.374 3.690 30 20 CHED CC(C)[C@]1(C)C[C@H]1c1nnc(-c2cccc(C#N)c2)o1 1327001548 YQBWQPFXAQLQJQ-BBRMVZONSA-N 267.332 3.758 30 20 CHED CCCCOC(=O)[C@@H](C)Sc1cccc(F)c1C#N 1327553107 XJHDNXTUWWWDFN-SNVBAGLBSA-N 281.352 3.521 30 20 CHED C=CC[C@@H](CC)NC(=O)c1oc(C2CC2)nc1C(F)F 1337435669 BISMMBSAYMRFLA-SECBINFHSA-N 284.306 3.574 30 20 CHED Cc1cc(C#N)nc(N2CCS[C@H](c3ccccc3)C2)c1 1333748213 OLPYMPDYKOMADL-INIZCTEOSA-N 295.411 3.556 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1cn2c(n1)CCCC2 1345048572 FRKAJKXQZRKQPW-ZFWWWQNUSA-N 288.391 3.511 30 20 CHED CC(C)(C)ON=C[C@H](CC1CCC1)NC(=O)OC(C)(C)C 1343882070 MVIPXZCVGCWTDI-ZDUSSCGKSA-N 298.427 3.871 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccnn1C(C)(C)C 1350084115 OLKUYECVAKIGGF-ZDUSSCGKSA-N 290.411 3.601 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(C)c2c1CCC2 1435384877 ISKBOELTUWMGJZ-UHFFFAOYSA-N 290.366 3.916 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)cn1)c1ccc(F)c(C)c1 1358428566 YFYRSUBUBJFMOL-MRXNPFEDSA-N 298.317 3.709 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CCCc1ccccn1 1437641141 PSTFXRPKZRHPNC-UHFFFAOYSA-N 299.761 3.568 30 20 CHED CN(CCc1ccccc1)c1cccc(Cl)c1C#N 107831193 BBOVYMLYSSBWMX-UHFFFAOYSA-N 270.763 3.891 30 20 CHED CCn1cc(Cl)cc1C(=O)OCC(C)(C)CCC#N 1518529860 MTKYXABOTBPLNM-UHFFFAOYSA-N 282.771 3.648 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)cc1C#N 1528238516 CYZBLIFVFTZWGE-HZPDHXFCSA-N 284.403 3.811 30 20 CHED Cc1nc(N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)ccc1C#N 1458434738 XWUROTZGJYMISB-MBNYWOFBSA-N 257.381 3.888 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(F)c(C#N)c1 1529689998 FJUJZUHIHKGDFN-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2ccc(F)c(C#N)c2)C1 1528163961 IQCNWRFTCPDRIV-CYBMUJFWSA-N 275.323 3.823 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCC[C@H](C(C)C)C1 1537592894 CYBDIQCGLVNKKG-HOCLYGCPSA-N 284.403 3.811 30 20 CHED O=C(/C=C\c1ccoc1C(=O)O)c1cccc(Cl)c1 1601243660 KUCMCHVNRJTVDC-PLNGDYQASA-N 276.675 3.527 30 20 CHED O=C(O)c1cc(/C=C/C(=O)c2cc3ccccc3s2)c[nH]1 1608841399 PEOBDXSCKBJMQU-AATRIKPKSA-N 297.335 3.824 30 20 CHED Cc1ccc(COC(=O)[C@@H](CC#N)c2ccccc2)cc1 1538361047 UPGDMYJKRTUKPO-KRWDZBQOSA-N 279.339 3.736 30 20 CHED Cc1ccnc(NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C#N 1612321950 NNBMVTFYJZUGHF-XBFCOCLRSA-N 257.381 3.746 30 20 CHED CC1CC(CN(Cc2ccc(C#N)cc2)C2CC2)C1 1473305313 XPMYYGKXSOYORU-UHFFFAOYSA-N 254.377 3.569 30 20 CHED N#Cc1c[nH]cnc1=NC(C1CCCCC1)C1CCCCC1 1612807135 NUNAIMFCCBJHQH-UHFFFAOYSA-N 298.434 3.711 30 20 CHED CC(C)N(C(=O)Cc1ccc(C#N)cc1)c1cccc(F)c1 1618279563 MGDPCSDVNRMLJQ-UHFFFAOYSA-N 296.345 3.681 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CN=c1cc[nH]c(C#N)c1 1559089421 LREQVKVVOKMNDV-CZUORRHYSA-N 271.408 3.640 30 20 CHED Cc1nc(Nc2ccc(N(C)C(C)C)c(F)c2)ccc1C#N 1559094005 ZCAILKVLQNRYRL-UHFFFAOYSA-N 298.365 3.989 30 20 CHED C#CCCN(CCOC)Cc1cc(Cl)sc1Cl 852748529 CUZDDVLTOQJXEG-UHFFFAOYSA-N 292.231 3.527 30 20 CHED CCc1nc(C#N)cc(N2C[C@H](C(C)C)c3ccccc32)n1 1639868545 XGJBDESEEGOCGP-OAHLLOKOSA-N 292.386 3.802 30 20 CHED C=CCCCCCCNc1cc(F)ccc1-c1nn[nH]n1 1573334176 AGTQIMSNBVQGEJ-UHFFFAOYSA-N 289.358 3.554 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2nc(-c3ccccc3)cs2)C1 1659929368 KVZNQSIGQRTUHQ-UKRRQHHQSA-N 297.427 3.982 30 20 CHED C=C[C@H](C(=O)O)N(C)c1ccc2c(c1)oc1ccccc12 1588664788 WBQJRDGTQXEXMM-CQSZACIVSA-N 281.311 3.661 30 20 CHED CCN(Cc1cc(C#N)ccn1)c1ccc(Cl)cc1 1654881533 FXDAUGFSBUTCDB-UHFFFAOYSA-N 271.751 3.633 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C(=O)O)c2ccccc12 1588736209 UTVKXKVYYBEMRU-LLVKDONJSA-N 298.342 3.624 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(Cl)c(F)c(C(=O)O)c1 1588606023 UYOXDSPPPPXMAU-UHFFFAOYSA-N 299.729 3.718 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(OC)c2ccccc12 1673606219 QTKAOUGWYJEPAP-UHFFFAOYSA-N 290.750 3.722 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CC23CCCCC3)c1C#N 1677351333 HCXKTNHYMCLMEL-GFCCVEGCSA-N 289.404 3.773 30 20 CHED C=CCc1ccccc1CN1CC2(CCCC2)C[C@H]1C(=O)O 1776187870 DMJBDTHXSBRFLG-KRWDZBQOSA-N 299.414 3.634 30 20 CHED C=CCCCCN(C)[C@H](C(=O)O)c1ccc(F)cc1C 1776173697 XIHOWRCTEWSOSK-HNNXBMFYSA-N 279.355 3.548 30 20 CHED C=CCCCCC(C)=NNc1ccc(C(=O)O)cc1 1776012960 ZGOAVJNGKQGVLN-UHFFFAOYSA-N 260.337 3.919 30 20 CHED C=CCCCCCN1CCC([C@H]2CCC[C@H]2C(=O)O)CC1 1776173417 UDHFIODJHKAMMS-IAGOWNOFSA-N 293.451 3.946 30 20 CHED CCOc1ccccc1/C=C1\Oc2cc(O)cc(C)c2C1=O 915988665 AHHUTCORPADQSE-SXGWCWSVSA-N 296.322 3.716 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1c(C)n[nH]c1C 162792220 JKALJHAOFMQOSK-UHFFFAOYSA-N 295.839 3.930 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccc(C)s2)cc1 160920026 UFOQJCIBZHAZCK-AWEZNQCLSA-N 285.412 3.919 30 20 CHED CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(C#N)c1 157343234 BPGHCVDQNMHAAF-KRWDZBQOSA-N 293.370 3.567 30 20 CHED C=CCC(CC=C)C(=O)N(CC=C)c1ccccc1 159434847 XNLVHQIFDDWTJD-UHFFFAOYSA-N 255.361 3.974 30 20 CHED C[C@@H](CCc1ccco1)Nc1nccc(C#N)c1Cl 235086915 OOGHCIGHHINWCA-JTQLQIEISA-N 275.739 3.633 30 20 CHED C#Cc1cccc(CN[C@@H](C)CCCC(F)(F)F)c1 825226603 KWVNHLNVVSRJIM-LBPRGKRZSA-N 269.310 3.879 30 20 CHED C=CCCCCN1CCC[C@@H]1C[C@@H](O)c1cccs1 828012211 KBZGXJKFDZVPKE-HUUCEWRRSA-N 279.449 3.992 30 20 CHED C=C(C)CCN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 834883926 VDODUDXCAOXWGG-GJZGRUSLSA-N 296.455 3.578 30 20 CHED Cc1ccc(C)c(C(=O)N[C@H](C#N)C2CCCCC2)c1 40360395 PJFJOTVHBLOFOS-MRXNPFEDSA-N 270.376 3.506 30 20 CHED CCC1CCC(CNC(=O)c2cccc(C#N)c2)CC1 44569210 OYYNBGKIISOFGZ-UHFFFAOYSA-N 270.376 3.504 30 20 CHED C[C@H]1CCCCN1CCCNc1ccc(C#N)c(Cl)c1 61845812 PUQMNNBIEONAAE-ZDUSSCGKSA-N 291.826 3.888 30 20 CHED Cc1nnc(Oc2ccc(Cl)cc2F)c(C#N)c1C 301080999 QBSUZURZEQEAKV-UHFFFAOYSA-N 277.686 3.550 30 20 CHED C=CC1CCN(c2ccc(C#N)cc2Br)CC1 301864157 MIIXKEINAXVZBI-UHFFFAOYSA-N 291.192 3.723 30 20 CHED Cc1cccc(SC[C@H](O)c2ccc(C#N)cc2)c1 305086042 XHYXFWBXEOFPLI-INIZCTEOSA-N 269.369 3.692 30 20 CHED COc1ccc(CN[C@]2(C)CCCC[C@H]2C)cc1C#N 308713242 LKOICBJTEOUGHS-CXAGYDPISA-N 272.392 3.625 30 20 CHED Cc1nc(NCCc2cccc(F)c2)c(Cl)cc1C#N 312547028 LSBYIWOAPXDYKL-UHFFFAOYSA-N 289.741 3.709 30 20 CHED N#Cc1cccc(CN[C@H]2CCC[C@H](C3CC3)C2)c1 77898362 WNZOJADRQLPHJR-IRXDYDNUSA-N 254.377 3.617 30 20 CHED C[C@@H](Cc1ccsc1)Nc1cccc(CC#N)c1 580814384 MGYBNPSVNJEGLD-LBPRGKRZSA-N 256.374 3.857 30 20 CHED C=CCCCCCCN[C@H](C)[C@H]1C[C@H]2CC[C@H]1O2 386605773 AVOGDFHQJQOHSA-KLHDSHLOSA-N 251.414 3.669 30 20 CHED N#CCC1(COc2ccc(Cl)c(F)c2F)CC1 396669190 PVVRKRRTUSJBOS-UHFFFAOYSA-N 257.667 3.691 30 20 CHED O=C1/C(=C/c2cnn(-c3ccccc3)c2)Cc2ccccc21 7905217 VMWNRJPENQFAJG-MHWRWJLKSA-N 286.334 3.695 30 20 CHED CC[C@H](CC(=O)N(C)Cc1ccc(C#N)cc1)C(C)C 104242158 ULZUBSFCZVXEHT-MRXNPFEDSA-N 272.392 3.589 30 20 CHED Cc1cccc2c(CCNCc3ccc(C#N)cc3)c[nH]c12 174447934 XPERHPGJZYGQSL-UHFFFAOYSA-N 289.382 3.680 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2 177574215 MMEJHHQYZAOBSM-UHFFFAOYSA-N 298.361 3.852 30 20 CHED C=CCn1c(C)nnc1S[C@@H](C)CCc1ccccc1 59739574 IERBDTTUBSPCCT-ZDUSSCGKSA-N 287.432 3.886 30 20 CHED C#CCCCCc1nc(-c2ccccc2Cl)no1 179625349 AKZOUKJOWDBBJA-UHFFFAOYSA-N 260.724 3.736 30 20 CHED COc1ccccc1CN(Cc1ccc(C#N)cc1)C1CC1 52182569 RMSVBWYQFPUQKB-UHFFFAOYSA-N 292.382 3.731 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(Cl)c(F)c2)cn1 67006462 GPUUAQZCPVNCRW-GQCTYLIASA-N 278.714 3.592 30 20 CHED C=CCCCC(=O)Nc1cccc(OCc2cccnc2)c1 175354008 RCTQOOXCDATXRO-UHFFFAOYSA-N 296.370 3.955 30 20 CHED C#CC[C@@H](OC(=O)c1cc2c(s1)CCC2)c1ccccn1 113661794 SGXRRRDNRWAQGA-CQSZACIVSA-N 297.379 3.553 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(SC)o1 112293350 RSXIPMGSZROQMH-UHFFFAOYSA-N 294.420 3.794 30 20 CHED CC(=O)c1ccccc1OCCSc1ccccc1C#N 173715061 JTWOSEFXCBOWPC-UHFFFAOYSA-N 297.379 3.932 30 20 CHED Cc1cc(C)cc([C@H](C)Nc2ccc(C#N)cn2)c1 301214082 YUOIIYWSSLBVPM-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C=CCCOC(=O)[C@H](C)c1ccc(Br)s1 174058653 KZTBGQWERPGNCM-MRVPVSSYSA-N 289.194 3.733 30 20 CHED N#Cc1ccc(Cl)cc1NCCc1cn2ccccc2n1 301210121 UHFQNSLBBGUBJS-UHFFFAOYSA-N 296.761 3.514 30 20 CHED C=CCCC(=O)N1CCSC[C@@H]1c1ccc(C)cc1 116134971 HGOXLGUMHODYRB-OAHLLOKOSA-N 275.417 3.578 30 20 CHED C[C@@H]1CCCCN1CCCNc1c(F)cc(C#N)cc1F 111142653 TUJVYXDNEKBLMV-GFCCVEGCSA-N 293.361 3.513 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)c1 67538928 KZBUDTZKAZKBCX-ZDUSSCGKSA-N 294.354 3.598 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCCC(C)(C)CC1 175746592 SWZCWMLJRGVYOL-UHFFFAOYSA-N 285.391 3.911 30 20 CHED Cc1ccc(C#N)cc1NCc1cccnc1Cl 177172904 JVHSMYCBUAWYTN-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC(C)C1CCC(NC(=O)c2cc(C#N)cs2)CC1 178016456 IHNIVQKKOZQQIG-UHFFFAOYSA-N 276.405 3.564 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1C[C@H]2OCCC[C@H]12 302551754 KBCFVEPVNYJKRI-MRVWCRGKSA-N 296.292 3.556 30 20 CHED C[C@@H](OC(=O)CCc1ccsc1)c1ccc(C#N)cc1 175753880 LTVVYPGDYBHRFF-GFCCVEGCSA-N 285.368 3.857 30 20 CHED COc1ccccc1CNc1cccc(OCCCC#N)c1 119746666 PJPKXTSZJWGJHR-UHFFFAOYSA-N 296.370 3.990 30 20 CHED CC[C@H](CNc1cccc(C#N)n1)Oc1cccc(C)c1 301539932 JRPPDXKPEILQJV-OAHLLOKOSA-N 281.359 3.531 30 20 CHED N#CCCCCN[C@H]1CCC[C@H]1c1ccc(F)cc1 178646917 CVNOZVHSMZVJCI-HOTGVXAUSA-N 260.356 3.745 30 20 CHED C=C(C)CNCc1ccc(OCCCC)c(OC)c1 119614251 SVPIHDATCCEQAM-UHFFFAOYSA-N 263.381 3.540 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1ccc(F)cc1Cl 301288785 SDPZZRSTVJZYJP-SECBINFHSA-N 275.714 3.919 30 20 CHED Cc1cccc(CC(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 175794301 GORJYFOLCONQHL-AWEZNQCLSA-N 279.339 3.714 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)CCC3)c1 302231873 YXDJFVOEZRJGEH-UHFFFAOYSA-N 293.326 3.567 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 116862137 FUTVSHSAPSMQAR-JTQLQIEISA-N 290.750 3.689 30 20 CHED Cc1ccccc1Oc1ccccc1C/N=C(\N)NC(C)C 304759293 QZEAAUKCOQPXSF-UHFFFAOYSA-N 297.402 3.600 30 20 CHED N#CCCCCN[C@@H]1CCSc2ccc(F)cc21 178640192 HZLNCFSFRYPEPH-CYBMUJFWSA-N 264.369 3.646 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)c1ccc(C#N)cc1[N+](=O)[O-] 301083505 KERWDWCAALDWGS-NSHDSACASA-N 299.305 3.803 30 20 CHED CCSc1cc(CNc2ccc(C#N)cc2)ccn1 302397760 JKBYZHLLVMJCQU-UHFFFAOYSA-N 269.373 3.677 30 20 CHED C=CC1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 175786232 ZYIBSWMXOCECNC-UHFFFAOYSA-N 287.403 3.902 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc2c(c1)OCO2 33472215 RPMQVAIAVLSMMK-VURMDHGXSA-N 266.296 3.620 30 20 CHED C[C@@H]1CCC[C@@H](Nc2snc(Cl)c2C#N)[C@@H]1C 301536691 MWGGPBOHAWTQLO-NQMVMOMDSA-N 269.801 3.905 30 20 CHED CN(CC(C)(C)C)c1ccc2cc(C#N)ccc2n1 301976979 MUCNVLFMUVYWJY-UHFFFAOYSA-N 253.349 3.589 30 20 CHED C=C(CC)CNC(=O)c1cc(C(F)(F)F)ccc1F 313537492 NNHMZCQHJDGGIC-UHFFFAOYSA-N 275.245 3.541 30 20 CHED C=CCCn1nc(-c2ccc(Br)cc2)nc1C 128854445 FGPYJLNBQTYAJK-UHFFFAOYSA-N 292.180 3.592 30 20 CHED Cc1cc([C@@H](C)Nc2cccc(C#N)c2[N+](=O)[O-])c(C)o1 125893612 DIAIJEREPPIURW-SNVBAGLBSA-N 285.303 3.849 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc2ccccc2n1CC 122035671 PKGZWEZGCMQTCZ-UHFFFAOYSA-N 283.375 3.763 30 20 CHED CC(C)(C#N)C(=O)OC1CCC(C(C)(C)C)CC1 71970759 OSDRVMRCVGKKDA-UHFFFAOYSA-N 251.370 3.684 30 20 CHED C#CCSCCN[C@H](C)c1cc2ccccc2s1 219192730 VDDSVGDHBHPIDS-GFCCVEGCSA-N 275.442 3.918 30 20 CHED N#Cc1ccc(N(Cc2cccs2)C[C@H]2CCCO2)cc1 129973104 QBVDZTNQSPEDGX-MRXNPFEDSA-N 298.411 3.805 30 20 CHED C=CCOc1ccc(CN(C)[C@H](C)C(C)C)cc1OC 507187189 BHPFYPCVLNCSRC-CQSZACIVSA-N 277.408 3.736 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2C)cc1C 509084569 RIYAGVYCDPTPNG-HNNXBMFYSA-N 292.382 3.975 30 20 CHED C=C[C@H](C)N[C@@H]1CCCc2ccc(Br)cc21 128833512 QTASPUCRSMRLJQ-IINYFYTJSA-N 280.209 3.991 30 20 CHED CC(C)Oc1ccc(CNc2ccc(C#N)cc2)cc1 35255023 MBFOCGFEVQLMKM-UHFFFAOYSA-N 266.344 3.958 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ncc(-c2ccccc2)cn1 186048117 MIMFWNUFLGZOMR-CABCVRRESA-N 281.403 3.834 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1F)c1ccccc1 412674799 RLMSMIUIHSFXSZ-ARFHVFGLSA-N 275.367 3.743 30 20 CHED Cc1cc(CN2CC[C@H]2c2ccccc2)ccc1C#N 488442819 ASWVXPMAKFBYTE-SFHVURJKSA-N 262.356 3.814 30 20 CHED C[C@H]1CC(Nc2ccc(C#N)cc2Cl)C[C@H](C)O1 235624449 CWCVGDARIXWFSK-UWVGGRQHSA-N 264.756 3.580 30 20 CHED CC[C@H](CC#N)NC(=O)c1sc(C)nc1-c1ccccc1 183920917 DNYNJEMSORYOBN-CYBMUJFWSA-N 299.399 3.541 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CC=CCC1)c1ccccc1 187180534 YLHFJJIZGRNRQE-WBVHZDCISA-N 269.388 3.819 30 20 CHED Cc1ccsc1C(=O)Nc1ccccc1O[C@@H](C)C#N 182060773 KEJFDYABRDRYJL-NSHDSACASA-N 286.356 3.600 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OCC)cc1F 417468561 WCCMQUMUQDXMFL-LLVKDONJSA-N 280.343 3.701 30 20 CHED Cc1cc(C(=O)Nc2cccc(CC#N)c2)c(F)cc1F 313439158 FOSYMXPOORGCSA-UHFFFAOYSA-N 286.281 3.592 30 20 CHED C=C(CC)CN[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 313497646 FGHFZVRFILRTGI-CABCVRRESA-N 296.455 3.578 30 20 CHED CC[C@H](NC[C@H](CC(C)C)OC)c1ccc(C#N)cc1 417329112 CXWHVILHZSCPNF-IRXDYDNUSA-N 274.408 3.660 30 20 CHED C=CCSc1ccccc1NC(=O)CSCCC#N 413011363 JCQVQZVZDMNBLL-UHFFFAOYSA-N 292.429 3.550 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H](C)[C@H]2CC)c1 186435721 YUOMLCMKPOLNJJ-XJKSGUPXSA-N 288.391 3.904 30 20 CHED CC(C)CCN(CCC#N)Cc1nc2ccccc2o1 72690954 ZGIFXDLFQVEKSL-UHFFFAOYSA-N 271.364 3.590 30 20 CHED CC[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 74917156 PPPDYNMOWVELFZ-CJNGLKHVSA-N 285.391 3.593 30 20 CHED Cc1nsc(NC[C@H]2CCCC(F)(F)C2)c1C#N 286304771 DWNCOTVLUKJQGW-VIFPVBQESA-N 271.336 3.561 30 20 CHED CCC[C@@H](NC(=O)C1(C#N)CCCCC1)C1CCCC1 411124266 VTINNCXOCXCPNW-OAHLLOKOSA-N 276.424 3.936 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(OC)c1 45052996 WRNHFAMGGOOEEK-UHFFFAOYSA-N 283.327 3.512 30 20 CHED CCN(CCc1ccccc1)C(=O)Nc1ccc(C#N)cc1 47333721 CBVZTYMJABXBDV-UHFFFAOYSA-N 293.370 3.655 30 20 CHED C=C(C)CCc1noc(-c2csc(C(C)(C)C)n2)n1 508609005 NRYJWEBQEXVEMQ-UHFFFAOYSA-N 277.393 3.999 30 20 CHED CCOC(=O)Nc1ccc(NCC(C)(C)CCC#N)cc1 135158589 ODGXEXTVTGTJIZ-UHFFFAOYSA-N 289.379 3.997 30 20 CHED Cc1ccc(CCSc2ccc(C#N)cn2)cc1 503917107 UVDAAXAEACPPOX-UHFFFAOYSA-N 254.358 3.597 30 20 CHED O=C1CCC(C(O)=Nc2ccc3c(c2)N=C(O)CC3)CC1 329906142 RYECDJXTEZGOOG-UHFFFAOYSA-N 286.331 3.568 30 20 CHED N=C(O)C[C@H](/N=C(/O)[C@H]1CCCSC1)C1CCCCC1 329783273 UZKCZFVIFRFGDN-STQMWFEESA-N 298.452 3.960 30 20 CHED CCCN(c1cncc(C#N)n1)[C@H](CC)c1ccccc1 420582806 JLRKBWKRKZGBPW-MRXNPFEDSA-N 280.375 3.716 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C 424866094 DXMXNCWAVKMHBK-ZIAGYGMSSA-N 251.414 3.728 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)CCCC2=O 425318845 UYASNFPWRAGLHM-UHFFFAOYSA-N 271.360 3.746 30 20 CHED C[C@@H]1C[C@H]1C/N=C(/O)c1coc(C2CCCCC2)n1 328738831 KXYQNRMQJSCOTR-PWSUYJOCSA-N 262.353 3.683 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(CN(C)C)ccc1C 135164628 RYAFTJQEAAGDCH-QGZVFWFLSA-N 274.408 3.597 30 20 CHED Cc1noc(C)c1C/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329612998 ORNWBFLRLDTHHM-MELADBBJSA-N 276.380 3.759 30 20 CHED C[C@H](SC/C(O)=N/C1CCCCC1)c1cnccn1 329807309 AAQUSXKJKIXSFN-NSHDSACASA-N 279.409 3.560 30 20 CHED N#Cc1ccc(-c2csc([C@H]3CCCO3)n2)cc1 87803521 RQTZQMIUBONUOC-CYBMUJFWSA-N 256.330 3.533 30 20 CHED N#CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 130431342 KGOITFZGXALRPQ-QGZVFWFLSA-N 295.342 3.729 30 20 CHED CCC(CC)(CC)SCC(=O)N[C@@](C)(C#N)C(C)C 191934580 KAXNMKYVFBYYRY-AWEZNQCLSA-N 284.469 3.743 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(O)cc1SC 191563630 SXELMCUMFCRUJJ-AWEZNQCLSA-N 265.378 3.655 30 20 CHED C=CCC[C@H](CC)N[C@@H](CCCN)c1ccccc1 423503710 NATXLCSXRZLKSX-IRXDYDNUSA-N 260.425 3.801 30 20 CHED Cc1nn(C)c(C)c1[C@H](C)C(O)=Nc1cccc2ocnc12 328878489 LBFLYCJZBKPIQV-VIFPVBQESA-N 298.346 3.570 30 20 CHED C=C(CNC(=O)N(C)[C@H](C)C1CCC1)c1ccccc1 512662034 VOZJVPWAOZTOMO-CQSZACIVSA-N 272.392 3.530 30 20 CHED N#Cc1cc2c(nc1NCc1ccc(F)cc1)CCCC2 49957022 ZULYRTKZQJOWTO-UHFFFAOYSA-N 281.334 3.583 30 20 CHED N#CCCCC[S@](=O)c1cc(Cl)ccc1Cl 84259612 XECMTRWOBDFIPJ-MRXNPFEDSA-N 276.188 3.795 30 20 CHED N#Cc1cccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 531472525 ORDRAJVFZAKWGB-MNOVXSKESA-N 283.297 3.734 30 20 CHED C#CCCCC(=O)Nc1ccc2nc(C3CC3)sc2c1 192097535 VMAKIUHJRMDCKX-UHFFFAOYSA-N 284.384 3.916 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)c1ccccc1[N+](=O)[O-] 80467018 RIVSUHGPSIAIQT-NSHDSACASA-N 297.314 3.648 30 20 CHED CCCCCCCCCN(C)C(=O)C(C)(C)C#N 194666357 RKLBAAYZALOXBE-UHFFFAOYSA-N 252.402 3.745 30 20 CHED N#CCN(Cc1ccccc1Oc1ccccc1)C1CC1 517900698 SIXOMLCFVLBOIB-UHFFFAOYSA-N 278.355 3.967 30 20 CHED CCc1ocnc1/C(O)=N/[C@H]([C@@H](C)CC)C(F)(F)F 331223166 LJSBILBQFAMGNB-OIBJUYFYSA-N 278.274 3.519 30 20 CHED C=CCC(C)(C)c1nc(-c2cccc(OC)c2)no1 426448159 AQMMSXIMHMWBKS-UHFFFAOYSA-N 258.321 3.599 30 20 CHED C=CCC1(C(=O)NC[C@@]2(C)C[C@H]3CC[C@H]2O3)CCCCC1 424920011 YIMNBXOOZCCZET-BFYDXBDKSA-N 291.435 3.587 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccccc1Cl 191132694 SBFYPLQTNDHJTH-OAHLLOKOSA-N 265.784 3.601 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](CC(F)F)c2ccccc2)C1 421378550 VKGZMCMDTNIVJX-KWCYVHTRSA-N 264.319 3.665 30 20 CHED C[C@@H](Cc1ccc(F)cc1Cl)NCC(C)(C)CC#N 421849250 BOSIXZUQSUOMOI-NSHDSACASA-N 282.790 3.940 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C(=N)O)c2ccccc21 332685508 OJGJSIPWEVUCLF-OCCSQVGLSA-N 286.375 3.644 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(C(F)F)c1 335775859 BOWYWHOTYNXAEC-CYBMUJFWSA-N 265.303 3.805 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(C#N)c1C 510220914 DICRUMULMUQFDC-WMLDXEAASA-N 284.403 3.908 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 334967346 KBMNGAMBIRXHHN-ZYHUDNBSSA-N 291.782 3.716 30 20 CHED CC[C@H](C)[C@@](C)(O)C/N=C(/O)c1cc(C(C)C)oc1C 330605071 HJLWUCNWTSPXNZ-ZBEGNZNMSA-N 281.396 3.813 30 20 CHED C=C[C@H](C)NC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 94039837 PUNVTAYAGYEGKH-HNNXBMFYSA-N 284.403 3.677 30 20 CHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1F 424325993 LOTOSGJOYXXJDK-JVLSTEMRSA-N 264.319 3.698 30 20 CHED CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 512738860 GVQIQXBWJNQCRG-ZJUUUORDSA-N 279.771 3.768 30 20 CHED O=C(NCC#Cc1cccc(F)c1)c1sccc1C1CC1 338156707 WXDNWHVHQNZLRP-UHFFFAOYSA-N 299.370 3.546 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ncccc2Cl)cc1 334284905 BENVBXTZUODDSL-UHFFFAOYSA-N 299.761 3.788 30 20 CHED COc1ccc(C#N)cc1CSc1ccc(C#N)cc1 435133105 OVQNMKAKCKRQPS-UHFFFAOYSA-N 280.352 3.731 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1ccc(Br)cc1 245934151 ZFBUUCOHSAFKPT-VXGBXAGGSA-N 295.224 3.992 30 20 CHED Cc1cc(C)cc(C(=O)N(CCC#N)CCC(C)C)c1 349433652 PLZPBZCUKBNMHZ-UHFFFAOYSA-N 272.392 3.705 30 20 CHED C=CCOCCCN1CC[C@H](c2ccccc2)C[C@H]1C 439332509 SYZSNZDVDMNCML-AEFFLSMTSA-N 273.420 3.847 30 20 CHED C=CCCCCCSCc1nnc2n1CCCCC2 432512489 WUEPGNKWGDZINB-UHFFFAOYSA-N 279.453 3.984 30 20 CHED CN(CCC(C)(C)C#N)Cc1cccc2[nH]ccc12 347114842 AWVFHKFJIDVBFI-UHFFFAOYSA-N 255.365 3.540 30 20 CHED COC[C@H](CNC[C@H](C)CCC#N)c1ccc(Cl)cc1 602676478 QNELQJSRVNJZIP-HIFRSBDPSA-N 294.826 3.599 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1ccc(C)cc1C 523551930 JEOIVWJURHRAFB-UHFFFAOYSA-N 288.435 3.920 30 20 CHED CC(C)[C@H](Cc1ccccc1)NCC1(CC#N)CC1 430736760 UXVCOVUCZKZRIR-INIZCTEOSA-N 256.393 3.537 30 20 CHED Cc1ccnc(NCC2(Cc3ccccc3)CC2)c1C#N 343505951 FLISDCKBSJLUGX-UHFFFAOYSA-N 277.371 3.697 30 20 CHED Cn1c(CNCC2CCC(C#N)CC2)cc2ccccc21 602657148 OYPSQROTBWVSQJ-UHFFFAOYSA-N 281.403 3.598 30 20 CHED CN(C)Cc1cccc(NCc2ccc(Cl)cc2C#N)c1 600850277 UURFMQWACXETDB-UHFFFAOYSA-N 299.805 3.885 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C)c(-c2ncco2)c1 528841557 DNLDPBFDYYKRQN-UHFFFAOYSA-N 297.358 3.919 30 20 CHED CC[C@@H](C#N)OC(=O)/C(C)=C\c1cccc(Cl)c1 255169329 QJBGAJDRJHAQGQ-SZNGSJQDSA-N 263.724 3.589 30 20 CHED CC(C)N(C)C(=O)[C@H](C)Sc1ccc(Cl)cc1C#N 601910887 BXOSNOWTZZABKU-JTQLQIEISA-N 296.823 3.559 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 528101379 PKTUYQZOHJLNPY-MORSLUCNSA-N 299.414 3.502 30 20 CHED CCOc1cc(Cl)ccc1CN[C@H]1CC[C@@H](C#N)C1 442819081 POTVZRDAAJGPDR-RISCZKNCSA-N 278.783 3.521 30 20 CHED CCN(C(=O)c1cc2ccccc2n1CC#N)C1CCCC1 609164683 ZSPVSHLTEWPXRU-UHFFFAOYSA-N 295.386 3.570 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1nc(C2CC2)cs1 342258424 RDMMYKSJSPCATL-IBGZPJMESA-N 296.461 3.599 30 20 CHED CC(C)C[C@@H](NCc1cccc(C#N)n1)c1ccccc1 602503664 NSOKLZDHIANKIY-GOSISDBHSA-N 279.387 3.830 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(C(F)(F)F)cc1C 448727797 ZUNDIOQQFIBHLM-JTQLQIEISA-N 298.308 3.636 30 20 CHED C=CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 357550939 IJNHULLCTRFLNV-UHFFFAOYSA-N 290.363 3.532 30 20 CHED C[C@H](CCC#N)CNc1cnn([C@H](C)c2ccccc2)c1 602698670 DZGQPOBAXZYZPD-HUUCEWRRSA-N 282.391 3.844 30 20 CHED CN(Cc1cscc1C(F)(F)F)CC(C)(C)C#N 354009734 KTNZJBORQLENCF-UHFFFAOYSA-N 276.327 3.748 30 20 CHED Cc1ccc([C@@H](C)CN2CCC[C@@](C)(C#N)C2)cc1 600146434 WIWXIYJPZSHNJZ-RDJZCZTQSA-N 256.393 3.724 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 534426677 UQMHULYYLCIXSZ-ZDUSSCGKSA-N 292.810 3.669 30 20 CHED Cc1cccc(C)c1OCCN[C@H](C)c1ccc(C#N)cc1 537293587 XLASFZOFSRLCLK-MRXNPFEDSA-N 294.398 3.905 30 20 CHED CS[C@H](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 358936611 VIDLZRYSTBTOAG-SECBINFHSA-N 294.445 3.579 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(C)C)nc1C 352771506 NNKMGWGTUDIERI-CYBMUJFWSA-N 260.381 3.598 30 20 CHED C=C1CCN(Cc2ccc(OC)cc2Cl)CC1 353305458 CLMBSTMPTNFEDM-UHFFFAOYSA-N 251.757 3.501 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(C(=O)O)cc1 263412159 LUAAAPFCJVIBFN-OAHLLOKOSA-N 261.365 3.609 30 20 CHED Cc1ccc(C#N)c(NCc2ccc([C@@H]3C[C@H]3C)o2)n1 536575260 RZQHSLCNDGTPAZ-QMTHXVAHSA-N 267.332 3.590 30 20 CHED C=C(CC)CSc1nnc(SCC(=C)CC)n1C 539116026 WXWZZUJTXCEKML-UHFFFAOYSA-N 283.466 3.932 30 20 CHED C=CCN(C(=O)c1cc(-c2ccccc2)ns1)C1CC1 357509222 HBQGEAAZBDSVOP-UHFFFAOYSA-N 284.384 3.601 30 20 CHED Cc1cccc2cc(C(=O)Nc3sccc3C#N)oc12 352325212 OTEAZSCIKJTDLP-UHFFFAOYSA-N 282.324 3.927 30 20 CHED Cc1cc(CCCC(=O)N[C@@H](C#N)CC(C)C)c(C)s1 610650348 BKOMWFINFRJWBU-OAHLLOKOSA-N 292.448 3.742 30 20 CHED Cc1cccnc1CNc1nc(C(C)(C)C)ccc1C#N 613420835 YFTARROAHVBNPS-UHFFFAOYSA-N 280.375 3.566 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 266920800 LCMPJNYEUOUHEE-RNCFNFMXSA-N 299.201 3.761 30 20 CHED C=C(C)CN(CC)CC(=O)c1cc(C)n(C2CC2)c1C 354468746 ZRFMRXKVAVJCSB-UHFFFAOYSA-N 274.408 3.521 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(OCC)cc2)CCC1 358115100 FLHLQRMVXUURMU-UHFFFAOYSA-N 287.403 3.790 30 20 CHED C=CCN(C(=O)CSc1ccc(C)cc1C)C1CC1 539036014 UVFIOJUYBPJQFV-UHFFFAOYSA-N 275.417 3.573 30 20 CHED CC(C)[C@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@@H]1C(C)C 454206870 SQSDWBWZHNGKQT-HZPDHXFCSA-N 285.391 3.703 30 20 CHED C[C@H]1CC(C(=O)N(C)c2ccc(C#N)cc2F)C[C@H](C)C1 611539264 SEJPYVUXOWYWQY-VXGBXAGGSA-N 288.366 3.732 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCCc2cc(C#N)ccc21 619611605 RGDOHTZZASCAQM-DOTOQJQBSA-N 254.377 3.880 30 20 CHED C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 610364271 NVLQTVRRZQKABL-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C=CCCCCNC(=O)C1(C(F)(F)F)CCCCC1 613595177 HNOXEMQFYGQJEU-UHFFFAOYSA-N 277.330 3.972 30 20 CHED CC#CCCCC(=O)NC1(C(C)(C)c2ccccc2)CC1 456801008 FBZAGDSOAMEMJH-UHFFFAOYSA-N 283.415 3.807 30 20 CHED CCc1ccc([C@@H](C)NC(=O)N(C)CC(C)(C)C#N)cc1 457453688 IXDYVNZXPOJXMY-CYBMUJFWSA-N 287.407 3.501 30 20 CHED C[C@]1(C#N)CCCN(C/C=C/c2ccc(F)cc2F)C1 612581962 BVUFJQDSRPQCFL-WPTTZPOMSA-N 276.330 3.604 30 20 CHED C=CCC1(CNC(=O)Nc2ccnn2C(C)C)CCCC1 454259143 ACPWXIWYEVYEKO-UHFFFAOYSA-N 290.411 3.722 30 20 CHED C=C(CC)CNC(=O)C[C@@H](C)c1c[nH]c2ccccc12 456814235 SZHIBEOSPLBLKV-CYBMUJFWSA-N 270.376 3.744 30 20 CHED C=CCOc1ccc(CNC[C@H]2CC[C@@H](C)O2)cc1Cl 453632157 OSSALBXSLPFHEG-TZMCWYRMSA-N 295.810 3.562 30 20 CHED C#CCCCCC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 279881825 DNELWUADQFQSNT-WBVHZDCISA-N 287.378 3.772 30 20 CHED C/C(=C/c1ccccc1OC(F)F)CN1CC(C)(C#N)C1 459590005 IPJZFSGNEHRQQI-GHXNOFRVSA-N 292.329 3.537 30 20 CHED C=C[C@H](C)NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 362626742 JPNYYFSQRZAKRC-MELADBBJSA-N 257.377 3.667 30 20 CHED C=CCCc1noc([C@H](C)Oc2cccc(Cl)c2)n1 453245787 IORAKXYZKPBJLU-JTQLQIEISA-N 278.739 3.982 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc2c(s1)CCC2 459648315 KSLZJNZUEOQYRS-SRVKXCTJSA-N 264.438 3.883 30 20 CHED CCCN(CC#N)C(=O)c1cccc2c1ccn2CC(C)C 277965434 IDHNLXCNOFTXHM-UHFFFAOYSA-N 297.402 3.673 30 20 CHED C=CC[C@H](C(=O)NC[C@H](OC)[C@H](C)CC)c1ccccc1 452417413 RVBPSJNQMLNNLP-PVAVHDDUSA-N 289.419 3.524 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(C(F)F)c1)OCC 270091385 OSEUIJYQYDIWPE-ZDUSSCGKSA-N 283.318 3.934 30 20 CHED CC(C)[C@@H]1C[C@H](NC(=O)CCCC#N)c2ccccc21 360476687 WKUSXISZXBSPHQ-HOTGVXAUSA-N 270.376 3.681 30 20 CHED C=C[C@@H](CC(=O)N1[C@H]2C=CC[C@H]1CC2)c1ccccc1 366920065 DZBAHYUVGNWOBE-XIRDDKMYSA-N 267.372 3.666 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(F)c(F)c2)no1)OCC 270046169 PQNXEIUUHQVYQW-ZDUSSCGKSA-N 294.301 3.539 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cnc(C#N)c(Cl)c1 455782943 KOHBVZWOHNFRMY-NXEZZACHSA-N 294.786 3.553 30 20 CHED Cc1ccnc(N2C[C@H](C)C[C@H]2c2cccc(F)c2)c1C#N 544146643 SMHXBSXRUXNTHN-PXAZEXFGSA-N 295.361 3.988 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(C)c(Cl)c1 627327249 RSDVODPAXMNXJJ-CYBMUJFWSA-N 294.826 3.873 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(C)c(F)c1 540465791 RLIYSAWZKFOBRL-UHFFFAOYSA-N 279.355 3.836 30 20 CHED N#CCN(Cc1ccc(Br)c(Cl)c1)C1CC1 276356179 LGDJRFYNBIAMGL-UHFFFAOYSA-N 299.599 3.590 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC=C(c2ccccc2F)C1 376370730 SXGZIKZSQXDQTM-CYBMUJFWSA-N 273.351 3.654 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc(CO)c1 271961992 LUAORYLOENQTTE-DNVCBOLYSA-N 294.398 3.875 30 20 CHED COc1ccccc1C1(CNc2ccc(F)cc2C#N)CC1 462807212 ZBRZNPCBZUYFOC-UHFFFAOYSA-N 296.345 3.850 30 20 CHED C#CCCCCC(=O)N[C@H](c1ccccc1C)C1CC1 271384197 FAWHJXLVMQLSLU-SFHVURJKSA-N 269.388 3.756 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccc(C#N)cc1 542545440 UYOPAUDGCVPJSB-AYMQEEERSA-N 299.418 3.743 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)c1c(F)cccc1F 620858191 ZPSXEARKZXLWJR-LLVKDONJSA-N 281.346 3.929 30 20 CHED C[C@@H](c1ccccc1)S(=O)(=O)CCCCC(C)(C)C#N 277782613 GTFRFSDQEWXGLP-AWEZNQCLSA-N 293.432 3.882 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnc(C(F)(F)F)cc1C 464664472 DAJSRZVTGXUCEI-ZDUSSCGKSA-N 286.297 3.950 30 20 CHED C=CCC[C@@H](CCC)N[C@H](c1cnn(C)c1)C(F)(F)F 628274049 NHTSHKYQPMFDHP-CHWSQXEVSA-N 289.345 3.748 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H]2CC23CCCCC3)cc1 557062734 PMENXRSTPYHXSU-KRWDZBQOSA-N 299.414 3.838 30 20 CHED N#CC1(CCCNc2cc(F)c(F)cc2F)CCOCC1 281361683 XVPHFBDOBYRJMM-UHFFFAOYSA-N 298.308 3.616 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@H]1CC 465019631 ZHQFYTVFDPPPOR-CABCVRRESA-N 266.429 3.953 30 20 CHED C#CC[C@H](NCc1cn(C(C)C)nc1C)c1ccccc1 281472869 UWALKPUBINLUTR-SFHVURJKSA-N 281.403 3.627 30 20 CHED CC1(CNC(=O)c2cc(C#N)ccc2Cl)CCCC1 286527712 NMOWMLIJKDJPTG-UHFFFAOYSA-N 276.767 3.522 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccnn1C(C)C)CC2 280026010 KLYZBLYAYQCXOW-GXDHUFHOSA-N 296.370 3.685 30 20 CHED N#Cc1nc(N2CC[C@@H](CC3CC3)C2)ccc1C(F)(F)F 558988488 LCDWFYDUAQFSKC-NSHDSACASA-N 295.308 3.598 30 20 CHED C=CCCc1nc(-c2ccccc2Br)no1 460144204 UNLMPPMHWQTBFN-UHFFFAOYSA-N 279.137 3.618 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 556880274 YGTPYUBSZKZPLR-DVOMOZLQSA-N 264.413 3.647 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CCCC)C1CCCCC1 553335862 XDNJWOUMRLDPIV-HNNXBMFYSA-N 281.440 3.929 30 20 CHED CCOc1cc(F)ccc1NCCC(C)(C)C#N 288731271 NPZCMYYDYHMXSZ-UHFFFAOYSA-N 250.317 3.576 30 20 CHED C=CCC[C@H](C)Nc1cccc(-n2cc(C)nc2O)c1 475515144 ZFWSMCAHESPFJO-LBPRGKRZSA-N 271.364 3.653 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1occ2c1CCC2 803879746 DSWRBFOXTYGAEV-UHFFFAOYSA-N 275.348 3.645 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1ccc(Cl)c(Cl)c1 472769358 XZPYIGJSHAHNSR-GFCCVEGCSA-N 288.218 3.752 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 295179648 PNGALBRNALLTJC-MQMHXKEQSA-N 277.795 3.914 30 20 CHED N#CCCCCCC(=O)OCC(=O)c1ccc(Cl)s1 805697297 SUHNOCIDXIAWDC-UHFFFAOYSA-N 299.779 3.601 30 20 CHED C#Cc1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)cc1 809652862 NYAUEXBZPDKRRK-SFHVURJKSA-N 283.415 3.639 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 473580562 DNKQFZZWLBJQAL-MRXNPFEDSA-N 275.348 3.735 30 20 CHED N#CCCCCCC(=O)Oc1cccc(Cl)c1F 805921538 BPZUPYITXCXUND-UHFFFAOYSA-N 269.703 3.859 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccccc1C(C)(C)C 806114062 GHVPLWDPZCVDLM-CYBMUJFWSA-N 272.392 3.908 30 20 CHED C#Cc1ccc(CN(CCC)c2ccc(CN)cc2)cc1 809655078 ZXEKCSQOIHJXSP-UHFFFAOYSA-N 278.399 3.543 30 20 CHED CC(C)c1ccsc1C(=O)OCCCSCC#N 805423067 OSTQPQMBVMBDLN-UHFFFAOYSA-N 283.418 3.675 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@H](c3ccccc3)C2)n1 561308584 WLBCNDSPMDDHOU-WKILWMFISA-N 263.344 3.620 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CC(=O)c2ccccc21 805220346 MXGUHHXMDIHVFI-MRXNPFEDSA-N 285.387 3.609 30 20 CHED CCCNc1nnc(SCC2(C#N)CCCC2)s1 806585900 OUJCGKALRMWUFO-UHFFFAOYSA-N 282.438 3.536 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[C@H](C)C1 476744007 WEVVAMVTPTWJRW-WFASDCNBSA-N 285.391 3.815 30 20 CHED Cn1cnc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 800792775 YBBCIVRDTMDSIV-HWKANZROSA-N 281.142 3.623 30 20 CHED C=CCN(CC=C)c1nnc([C@@H](CC)c2ccccc2)n1C 568140325 FYCWGXNTZHKRLF-INIZCTEOSA-N 296.418 3.535 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cc(F)ccc2C)cc1 561863113 CLMLLSOHNQUWHR-KRWDZBQOSA-N 296.345 3.691 30 20 CHED C=C(C)CCOC(=O)CCc1ccc2ccccc2n1 803259986 OADNYERXHZQKIR-UHFFFAOYSA-N 269.344 3.677 30 20 CHED C=CCCCCCCNC(=O)N1CCSC(C)(C)C1 806004725 QPEGNUNXXFLQJZ-UHFFFAOYSA-N 284.469 3.660 30 20 CHED C=CCn1cccc1C(=O)N(CC)Cc1ccc(C)cc1 562349541 WJIMNHXDSFLHDR-UHFFFAOYSA-N 282.387 3.645 30 20 CHED Clc1ccc(NN=Cc2csc3ccccc23)nn1 812380751 OTNBFTMJOYTNMG-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=CCC(F)(F)C(=O)N1Cc2ccccc2C[C@H]1CC 816131671 BVCWJFAARBCVFF-CQSZACIVSA-N 279.330 3.561 30 20 CHED CC(=NNc1cc(Cl)nc(Cl)c1)C1CCC1 819832536 UGUPPNSEXSMNIK-UHFFFAOYSA-N 258.152 3.976 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc2ccccc2c1C 489955585 KJFICHSWEBCDEZ-UHFFFAOYSA-N 282.387 3.875 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1nccc2ccccc12 811629807 HDLQDKPWIOBLSY-UHFFFAOYSA-N 297.749 3.514 30 20 CHED C=CCC(F)(F)C(=O)NCc1cccc(SCC)c1 816984147 VUWSKQYQWSWSSW-UHFFFAOYSA-N 285.359 3.626 30 20 CHED CCOC1CC(=NNc2nc(-c3ccccc3)cs2)C1 814769136 IKVZMTCENNMFOA-UHFFFAOYSA-N 287.388 3.777 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2cc(C)ccc2OC)no1 579170841 UXSWHLPYZUAUNZ-QGZVFWFLSA-N 286.375 3.831 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(F)c(SC)c(F)c1 816060165 FZDPNTMNSLIJPF-UHFFFAOYSA-N 293.285 3.837 30 20 CHED Cc1ccc(CCC(=O)OCc2ccc(C#N)cc2)s1 810576964 XGVGCMRZDGBFFW-UHFFFAOYSA-N 285.368 3.604 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(C)cc1NCC 813534321 PQHZIUQTLXUETB-UHFFFAOYSA-N 292.382 3.589 30 20 CHED CC(=NNc1ccccc1F)c1cc(F)c(N)c(F)c1 814790303 RNPQSZLKLMVRPU-UHFFFAOYSA-N 279.265 3.522 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@@H](C)C1CCC1)c1ccccc1 489627620 XJFDDXCPKNTMDU-WMLDXEAASA-N 271.404 3.993 30 20 CHED C=CCC(C)(C)CNCc1ccc(O[C@@H]2CCOC2)cc1 657473130 DWMUSEAVRHDYKX-QGZVFWFLSA-N 289.419 3.546 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)NCc1cccc(C#N)c1 487669305 UUKDQWAQWPZNFJ-QGZVFWFLSA-N 299.418 3.813 30 20 CHED CCCC(=NNc1ccc(OC)cn1)c1ccc(OC)cc1 814909685 PDBFMJVRIAOMRX-UHFFFAOYSA-N 299.374 3.715 30 20 CHED C#C[C@H](NC(=O)[C@H](C)c1ccccc1)c1ccc(Cl)cc1 811947728 NGMMPEFDFUYWNK-DYVFJYSZSA-N 297.785 3.934 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ncc(C(C)(C)C)s1 810449389 GPUNJOOTANRSRA-UHFFFAOYSA-N 298.411 3.603 30 20 CHED C=CCC(F)(F)C(=O)Nc1sc(C)nc1CC(C)C 815800047 LZRJXJMSKZUOBR-UHFFFAOYSA-N 288.363 3.800 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cnn2cccnc12 812232283 BITQKXVPQFAJLK-UHFFFAOYSA-N 293.374 3.607 30 20 CHED C=CCC1(CNC[C@H](O)c2cccc(F)c2)CCCC1 819356868 NGDSYBXLKSMHDV-INIZCTEOSA-N 277.383 3.585 30 20 CHED CCN(Cc1ccc(F)cc1C#N)c1cccc(OC)c1 489600900 YGJJTIIREOJYGL-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCC(C)(C)C2)cc1 579641874 HXSAGTMCYDXAKJ-HOTGVXAUSA-N 284.403 3.756 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1cc(C#N)ccc1F 820713571 IACISNBBYKTVMY-GFCCVEGCSA-N 276.355 3.642 30 20 CHED C=CCCOC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 729074247 MFNHOIHXBQPPNB-STQMWFEESA-N 295.176 3.672 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccccc1C 650383411 MWVVXEBQBRBKSG-ZMSDIMECSA-N 257.377 3.569 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CC1(C)C 491250815 UQFMTYVITSJGNR-CQSZACIVSA-N 290.382 3.569 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)C#CC(C)C 822722268 NYUBUDHDYAXULB-UHFFFAOYSA-N 279.767 3.727 30 20 CHED C=C(C)CCNCc1cnc(NC(=O)OC(C)(C)C)s1 497044850 IUKBXXWBJBXWQM-UHFFFAOYSA-N 297.424 3.546 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N(C)C[C@@H](C)C#N 499104809 ZWUOJDMLJBBWEK-ZFWWWQNUSA-N 264.413 3.601 30 20 CHED C#C[C@H](CCC)NC(=O)N(Cc1ccc(F)cc1)C(C)C 820640038 KVKHSMNREBMRIT-MRXNPFEDSA-N 290.382 3.548 30 20 CHED Cc1cccc(OCCCNC2CCC(C)(C#N)CC2)c1 823608908 LXZMVBPRJZJJQN-UHFFFAOYSA-N 286.419 3.826 30 20 CHED C=CCCOC(=O)C1(c2ccc(F)cc2)CCCC1 729072464 NSYXKKGIYNABKL-UHFFFAOYSA-N 262.324 3.757 30 20 CHED Cc1ccc2c(Cl)c(C(=O)O[C@H](C)C#N)sc2c1 729729500 USPPPJMCGNBSPV-MRVPVSSYSA-N 279.748 3.932 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CCCCCC#N 588160643 GLPHERDIDYPXRG-RDJZCZTQSA-N 284.403 3.865 30 20 CHED C=CCC1(NCc2cnc([C@H](C)O)s2)CCCCC1 825023933 IUEMCIMGSOTDTF-LBPRGKRZSA-N 280.437 3.565 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc3oncc3c2)cc1F 821039037 OGSWJWQRHMOOLM-GORDUTHDSA-N 297.285 3.872 30 20 CHED CC1(C#N)CCN(C(=O)/C(F)=C\C2CCCCC2)CC1 828080534 DGUMMSZGTACHMM-SDNWHVSQSA-N 278.371 3.572 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC)C1CCCCC1 586907537 FNCGBXGIOGVCDD-HNNXBMFYSA-N 266.429 3.953 30 20 CHED C=CCC[C@@H](NC1CC(C)(C)CC(C)(C)C1)C(=O)O 901690865 UTKWLZWXCUQVPH-CYBMUJFWSA-N 267.413 3.600 30 20 CHED CCCSCC(C)=NNc1ccc(Cl)cn1 901264857 NDUWIMVZMJQEEI-UHFFFAOYSA-N 257.790 3.666 30 20 CHED N#CC1(C(=O)OCc2csc(C3CCCC3)n2)CCC1 736845677 OGJRQMUYRXXCDU-UHFFFAOYSA-N 290.388 3.538 30 20 CHED Cc1nc(C(C)(C)NC(=O)CCCCCC#N)sc1C 588930386 UODJSALMVVBAGZ-UHFFFAOYSA-N 293.436 3.585 30 20 CHED C#CC(C)(C)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 733976543 GJKASKXCMVCRKU-JTQLQIEISA-N 298.213 3.700 30 20 CHED Cc1cccc(C)c1COC(=O)c1cccc(CC#N)c1 738615466 IBOKSTBKMKLQCH-UHFFFAOYSA-N 279.339 3.727 30 20 CHED C=CCN(Cc1cnc2ccc(C)cc2c1)[C@@H](C)COC 661239496 GUAYROJSQJLLAZ-HNNXBMFYSA-N 284.403 3.566 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)CCCCCC#N)c1C 588716160 HDLWPTPIYOQLSZ-GFCCVEGCSA-N 276.384 3.575 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H](c1ccccc1)C1CC1 839042703 MSFPATMQUBTJPX-CJNGLKHVSA-N 256.345 3.525 30 20 CHED C#CCN(CC)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 730176012 RTCJWRDZNPHEMG-UHFFFAOYSA-N 295.357 3.896 30 20 CHED CCCCOc1ccccc1/C=C1/CCn2ccnc2C1=O 901536542 RHDGILWDJPIVEP-SQFISAMPSA-N 296.370 3.732 30 20 CHED N#CCOc1ccc(COC(=O)C2CCCCCC2)cc1 733479418 IOIATFJEGSVAHD-UHFFFAOYSA-N 287.359 3.603 30 20 CHED C=CC(C)(C)CC(=O)OCCCCC1(C#N)CCC1 909483153 FOBDZVVKADKWFE-UHFFFAOYSA-N 263.381 3.996 30 20 CHED C#CCCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 832277279 IMVGOBNCMIRUAN-MRXNPFEDSA-N 267.376 3.503 30 20 CHED CCc1cc(NN=CC(CC)CC)nc(-c2ccccn2)n1 730463572 JPRWYKGMZYFXHL-UHFFFAOYSA-N 297.406 3.935 30 20 CHED C=Cc1ccc(C(=O)OC[C@@](C)(C=C)CCOC)cc1 835339118 WUDXHPFLALKWIC-KRWDZBQOSA-N 274.360 3.715 30 20 CHED C=CCC[C@H](OC(=O)[C@@H]1CC12CCSCC2)C1CC1 835243526 OBZPMHSJJJJQSY-KBPBESRZSA-N 280.433 3.808 30 20 CHED O=C(CON=C1CCC1)Nc1ccc(-c2ccccc2)cc1 735489912 JPBYTVBJLUKBSI-UHFFFAOYSA-N 294.354 3.849 30 20 CHED C[C@H]1CC(C)(C)CCC1=NN[C@@H](C)C(F)(F)F 834999623 FYVLMOLRDKXJHI-IUCAKERBSA-N 250.308 3.729 30 20 CHED COc1cc2ccccc2cc1C=NOCCSC 834976037 TXKZZQMTEIHUBZ-UHFFFAOYSA-N 275.373 3.562 30 20 CHED C#CC1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 830304899 BJRMUUIFVYKKQP-UHFFFAOYSA-N 283.415 3.660 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)[C@H]1CCCC[C@H]1C 834998069 BRFXYXIMCSRHLT-IEBDPFPHSA-N 250.308 3.729 30 20 CHED COc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1F 730948315 CNKUPBJEIUXTLU-RIYZIHGNSA-N 282.314 3.965 30 20 CHED CC[C@H]1CCCC(=NNc2cccc([N+](=O)[O-])c2)C1 734977292 MHFYQZKGRSMFQE-NSHDSACASA-N 261.325 3.963 30 20 CHED N#CC1(CN[C@H](c2ccc(F)cc2)c2cccnc2)CCC1 903032262 HXVKQLPMJQCSPG-QGZVFWFLSA-N 295.361 3.594 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CC[C@H]1CC1(Cl)Cl 834660607 RHLBKNYGOMIGJH-WDEREUQCSA-N 276.207 3.528 30 20 CHED C=CCCCOC(=O)c1cnn(-c2ccccc2)c1CC 735527699 KVHXKNBKVMMSBY-UHFFFAOYSA-N 284.359 3.558 30 20 CHED CC1(C#N)CCC(=NNc2nncc3ccccc23)CC1 834921147 PMXHENCIOLXNEH-UHFFFAOYSA-N 279.347 3.502 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(F)c2cccnc12 739914890 RHCQDIVSCSEUAP-UHFFFAOYSA-N 285.366 3.746 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CCCCC)C(C)(C)C)cn1 734346635 VGDITJFMFGJWCT-MRXNPFEDSA-N 286.419 3.788 30 20 CHED CC(C)c1ccc(C=NNc2cncc(Cl)n2)cc1 914560281 WFINZMHZCLKAHL-UHFFFAOYSA-N 274.755 3.699 30 20 CHED Cc1ccc(NN=C2CCN(Cc3ccccc3)C2)cc1 839383845 PYVZTUAYPUQFQC-UHFFFAOYSA-N 279.387 3.669 30 20 CHED Cc1ccc(C=NNc2ccc(Br)nc2)cc1 732713185 RPFKUDHLLKBKMJ-UHFFFAOYSA-N 290.164 3.599 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccc(F)cc1C 731316801 KBKKAPQTHCLJGK-UHFFFAOYSA-N 293.345 3.940 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(C)c1 839045187 YIPPHXQFFIFEIC-UONOGXRCSA-N 257.333 3.543 30 20 CHED C=CCCSCCNC(=O)N(CC1CCC1)CC1CC1 596716557 WYCSEHWEOLIOID-UHFFFAOYSA-N 296.480 3.517 30 20 CHED C[C@H](NN=C1CCC[C@H]1Cc1ccccc1)C(F)(F)F 835000684 LUPRREFTTAYUSX-AAEUAGOBSA-N 284.325 3.926 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3cccc(C)n23)cc1 748999752 LICGHUIHQQGQAR-KHPPLWFESA-N 276.339 3.847 30 20 CHED C=C(C)CCN[C@@H](C)c1cc(Br)ncc1F 834881603 BKGYPDWQTPJHTQ-VIFPVBQESA-N 287.176 3.600 30 20 CHED C=CCC[C@H](C)Nc1ccc(OCCN(C)C)c(F)c1 839190553 QBYKYNPZVIFWMR-ZDUSSCGKSA-N 280.387 3.533 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccn(-c2ccccc2)n1 678883576 YTGBSPKYDRKHKX-AWEZNQCLSA-N 298.390 3.739 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC([C@H]2CCCCO2)CC1 595789700 SNDPYQOBGIALRE-HNAYVOBHSA-N 298.430 3.900 30 20 CHED N#CCN(C(=O)C1CCC2(CC1)CC2)c1ccccc1 598807240 FRWMWANKMYGUCH-UHFFFAOYSA-N 268.360 3.514 30 20 CHED C=C(C)CCOC(=O)Cc1ccc(-n2nc(C)cc2C)cc1 744304706 YMAAPJPMDXSXRR-UHFFFAOYSA-N 298.386 3.541 30 20 CHED C=C(CNC(=O)c1cc2ccsc2[nH]1)c1ccccc1 672482300 DGJLSDSMXOKRFJ-UHFFFAOYSA-N 282.368 3.673 30 20 CHED C#CCSCCNCc1ccc(-c2ccccc2F)o1 740014039 BLAUNTVEDCBFRZ-UHFFFAOYSA-N 289.375 3.542 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)C1CCSCC1 844623860 NQURYSLGNRTUSW-UHFFFAOYSA-N 292.404 3.624 30 20 CHED C[C@H](NC(=O)N[C@H](C)CC(C)(C)C)c1cccc(C#N)c1 590807940 ZURJIPAUSFOJQR-OLZOCXBDSA-N 287.407 3.743 30 20 CHED CCc1oc2ccccc2c1CC(=O)N[C@](C)(C#N)C(C)C 599245737 UWUHJUVIYFYSKM-GOSISDBHSA-N 298.386 3.592 30 20 CHED CCCCCCCC(=O)OCC[C@@H]1CCCCN1C 919222894 JQRPLCCZBYLBDO-HNNXBMFYSA-N 269.429 3.765 30 20 CHED CC(C)c1nn(C)cc1-c1cccc(C2(C#N)CC2)c1 844231107 ZXGBLCUJOITIQK-UHFFFAOYSA-N 265.360 3.766 30 20 CHED C/C=C(\CC)C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 847041617 ADUKEROZFSUXSS-CQMBDMNQSA-N 270.376 3.628 30 20 CHED N#CC1(CSCc2ccc([N+](=O)[O-])cc2)CCCC1 917351441 ZXZBPEDJGOLHIM-UHFFFAOYSA-N 276.361 3.912 30 20 CHED CC/C(=C\C(=O)N[C@@H](C#N)CC(C)C)c1ccc(C)cc1 741680572 IKOFYYUHBLGPEW-GSPCDJLXSA-N 284.403 3.843 30 20 CHED COc1cccc(C(=O)/C=C/c2cc(C)ccc2OC)c1 747003858 QVOAABNCKXGZKY-CMDGGOBGSA-N 282.339 3.908 30 20 CHED N#CCCCCOC(=O)c1cc(Cl)sc1Cl 914623703 OKFOYLDGBKPRRU-UHFFFAOYSA-N 278.160 3.906 30 20 CHED C[C@@H](O)CN(C)N=C1CCC[C@@H](c2cccc(Cl)c2)C1 841648469 KJZCHAUWWYVHSU-TZMCWYRMSA-N 294.826 3.666 30 20 CHED CC(Cc1ccccc1C)=NNc1cccc(C(=O)O)c1 743418026 TVDPZPZAQXGXQC-UHFFFAOYSA-N 282.343 3.724 30 20 CHED FC(F)(F)c1cccc(C=NOCc2cccnc2)c1 746588109 YPQLKERTCLHVTN-UHFFFAOYSA-N 280.249 3.651 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H]2CCC[C@H](C)C2)c1 919903134 DQBGNAPQGLVGPW-DZGCQCFKSA-N 270.376 3.616 30 20 CHED C=C(Cl)CNC(=O)[C@@H](CC(C)C)c1ccccc1 740826927 YEGCZMJTXCKSKH-AWEZNQCLSA-N 265.784 3.685 30 20 CHED N#CC1(COC(=O)CCCc2ccc(F)cc2)CCCC1 847675745 CWBSAMVLGYMLNH-UHFFFAOYSA-N 289.350 3.776 30 20 CHED CC(C)(NCC#Cc1ccc(F)cc1)c1ccc(F)cc1 749261407 GJUQHBMAANZJDP-UHFFFAOYSA-N 285.337 3.841 30 20 CHED Cc1ccc(C#N)nc1NCc1ccc(OC(C)C)cc1 596074906 JKDWGDKERKEWMW-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H](CC)CC(F)(F)F)c1 840433230 RVVRCSYUYHVVNU-LBPRGKRZSA-N 298.308 3.768 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Cl)c(SC)c1 593743572 JVFISHGSCVHUCD-QMMMGPOBSA-N 268.769 3.550 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N[C@](C)(C#N)C(C)C)cc1C 749605914 FHMUOZNBPSSFQZ-JTHGQSKGSA-N 284.403 3.680 30 20 CHED Cc1ccnc(-c2cccc(NCC3(CC#N)CC3)c2)n1 594705937 QQMPGARTEALLPP-UHFFFAOYSA-N 278.359 3.558 30 20 CHED C[C@H]1CCN(CCC(C)(C)C#N)CCN1Cc1ccccc1 131741740 IESXAPGFUQIPMN-KRWDZBQOSA-N 299.462 3.523 30 20 CHED C=CCCCCCCNCc1cccc(C(=O)N(C)C)c1 922126622 JQSALKSKCRRCOP-UHFFFAOYSA-N 288.435 3.615 30 20 CHED CCOc1ccccc1C(=O)OCc1ccc(C#N)cc1C 748934521 UPAVWMYFEAMSMD-UHFFFAOYSA-N 295.338 3.622 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2nccc3ccccc23)cn1 740765264 UIUYHQKUCIZCRT-BQYQJAHWSA-N 291.354 3.908 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc2nc(C)sc2c1 842855193 LMOONIHRSDQDBB-HNNXBMFYSA-N 288.372 3.588 30 20 CHED C[C@H](CCCc1cccnc1)N[C@H](C)CC(C)(C)C#N 926564807 GEDQWERWRXJCBO-HUUCEWRRSA-N 273.424 3.711 30 20 CHED C=CCc1ccc(OCc2cccnc2C)c(OC)c1 685578934 SDCZRSJYCIEPDE-UHFFFAOYSA-N 269.344 3.706 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)N[C@H](C)CC(C)(C)C#N 925710072 VZEHGPOOSDXCEL-WWGRRREGSA-N 292.398 3.820 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(OC)no1 926591414 LJIOUVRDRUVSSX-ZFWWWQNUSA-N 286.375 3.521 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 759182333 IQEZOHBUWQYIHE-ZDUSSCGKSA-N 283.327 3.749 30 20 CHED CCc1nc(C)c(C(C)=NNc2ccc(Cl)cn2)s1 853437101 AJJSPFQMCAGULB-UHFFFAOYSA-N 294.811 3.898 30 20 CHED C#CCCCCNC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 758805616 QSEFDNZOZUHSNE-MSOLQXFVSA-N 298.430 3.501 30 20 CHED COc1cccc(/C=N\[C@H]2CCc3cc(F)ccc32)c1O 920174933 RKKXQSVHEADKEU-HNIBHBHRSA-N 285.318 3.646 30 20 CHED COC1(C(C)=NNc2ccc(Br)cc2)CCC1 853286998 FCKLUWYNLSBMPR-UHFFFAOYSA-N 297.196 3.806 30 20 CHED COCCC1(CN[C@@H](C)CC(C)(C)C#N)CCCCC1 926215952 DFTHQXBUIWRPSY-HNNXBMFYSA-N 280.456 3.891 30 20 CHED CC(C)(C)OCCCNc1nc2ccccc2cc1C#N 853835919 YSQOOQSCCBZKCK-UHFFFAOYSA-N 283.375 3.724 30 20 CHED CCN(Cc1c(O)ccc2oc3c(c12)CCCC3)[C@@H](C)C#N 853577038 BDOLWEVTTQJJCG-LBPRGKRZSA-N 298.386 3.751 30 20 CHED CCOc1cncc(/C=C2/CCCC(C)(C)C2=O)c1 857201637 FKGPKXFKXMJZBM-JYRVWZFOSA-N 259.349 3.643 30 20 CHED C#CC[C@H](N[C@@H]1CS[C@@H](C(C)C)C1)c1ccccc1 754143066 HVHGMWAJYLCODK-YESZJQIVSA-N 273.445 3.871 30 20 CHED C=CCN(C(=O)/C=C/c1ccc(OC)cc1)C(C)(C)C 857651282 WXKRGNOMOCCJNU-FMIVXFBMSA-N 273.376 3.522 30 20 CHED C=CCC[C@H](N[C@@H]1CCCc2cccnc21)C1CC1 927059900 OYRXINFAMKUGGB-JKSUJKDBSA-N 256.393 3.793 30 20 CHED C#CC[C@H](OC(=O)c1cnc(-c2ccccc2)s1)C1CC1 750773855 BNXKAFUMKGRAIO-AWEZNQCLSA-N 297.379 3.769 30 20 CHED CSc1ccc(C(C)=NO[C@H]2CCCCO2)cc1F 755814282 LXIGVXTYJQUMIS-AWEZNQCLSA-N 283.368 3.815 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1)C1CC1 753785151 KTNPLMOSQJKFMC-DLBZAZTESA-N 296.414 3.520 30 20 CHED C=CC(C)(C)CCOC(=O)Cc1cc2ccccc2nc1O 851298822 OQQVAKGGGHRTBC-UHFFFAOYSA-N 299.370 3.628 30 20 CHED N#CCOc1cccc(OC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 851087826 DMDDLJUDYHSMTE-HZPDHXFCSA-N 299.370 3.711 30 20 CHED C=CCCc1ccccc1NC(=O)C(C)(C)SC 857619173 ZHFIPDDJRMHMIY-UHFFFAOYSA-N 263.406 3.885 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(SC(F)(F)F)cc1 757006436 HLOQCZCTSZLEFK-QMMMGPOBSA-N 275.295 3.603 30 20 CHED COC(=O)c1cc(/C=C\C(=O)c2ccc(C(C)C)cc2)c[nH]1 753142615 RPAKLSGQXWHUNX-WTKPLQERSA-N 297.354 3.821 30 20 CHED COc1cc(C)c(/C=C\C(=O)c2ccsc2)cc1OC 751512286 CUNAOZDUYHJTGM-PLNGDYQASA-N 288.368 3.970 30 20 CHED C=CC(C)(C)CCOC(=O)CCc1nc2ccccc2o1 851298409 ABGGKDPNFMOPEQ-UHFFFAOYSA-N 287.359 3.906 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C1CCCC1 750682376 XKRMENITWYWBHI-DGCLKSJQSA-N 281.359 3.565 30 20 CHED CSCCC=NOCc1ccc(C(F)(F)F)cc1 755805000 PVIBMEGPJUJHPN-UHFFFAOYSA-N 277.311 3.961 30 20 CHED C=C(Cl)CN[C@@H](c1cccnc1)c1ccc(F)cc1F 753679980 QHJRZUNYHDXGMA-HNNXBMFYSA-N 294.732 3.791 30 20 CHED CCC(=NOc1ccccc1C(F)(F)F)c1nccn1C 755816371 PNGZQPVPVOGJGR-UHFFFAOYSA-N 297.280 3.632 30 20 CHED COc1ccc(NCC#Cc2ccc(Cl)cc2)cc1 754303875 WKVOHLDHTZQSEF-UHFFFAOYSA-N 271.747 3.812 30 20 CHED COc1cc(C)c(C=NN[C@H](C)c2ccccc2)cc1OC 751525521 HGKCQJADGXVMMM-CQSZACIVSA-N 298.386 3.697 30 20 CHED CC#CCCCC(=O)O[C@@H](C(=O)c1ccccc1)C(C)C 767670410 HNACJZKUUQZNFO-GOSISDBHSA-N 286.371 3.631 30 20 CHED CCN(CC#N)C(=O)/C(C)=C\c1c(Cl)cccc1Cl 766444382 AXRSPVHFPDJQKJ-KTKRTIGZSA-N 297.185 3.769 30 20 CHED C[C@@H](C#N)OCCOc1c(Cl)ccc2ccccc12 864047774 TUBAPVWJIDPYOA-NSHDSACASA-N 275.735 3.801 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2cc(F)cc(C#N)c2)cc1 864043898 OWKHNLXXQFTBHI-GFCCVEGCSA-N 295.317 3.600 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@H](CCC)C(C)C 764273582 PPYWZYHXMVFGSX-CQSZACIVSA-N 291.366 3.849 30 20 CHED CCN(CC)c1ccnc(NN=C[C@H](C)c2ccccc2)n1 762607386 BYQRLVDLOKGNAD-AWEZNQCLSA-N 297.406 3.524 30 20 CHED C#Cc1cccc(NC(=O)c2ccc3c(c2)CCC=C3)c1 764055705 VXMQELORGPVLAT-UHFFFAOYSA-N 273.335 3.880 30 20 CHED CC(=NNc1cccc(F)c1)c1nc2c(s1)CCCC2 761262080 WPFDEFMIGWIYCI-UHFFFAOYSA-N 289.379 3.997 30 20 CHED COc1ccc(F)cc1N=Cc1cc(Cl)ccc1O 768270128 VYGPAYDSNFYPDD-UHFFFAOYSA-N 279.698 3.944 30 20 CHED FC(F)C1CC(=NNc2ccc(C(F)(F)F)cn2)C1 766007157 KJBPDMHVRQNLIS-UHFFFAOYSA-N 279.212 3.543 30 20 CHED CCC1(C(=O)Oc2ccc(C#N)cc2)CCCCC1 763361621 HYYUAFSLJIBANN-UHFFFAOYSA-N 257.333 3.824 30 20 CHED Cc1cc(C=NNCCCc2ccccc2)c(C)s1 760253657 VXXXMONGHXZGDI-UHFFFAOYSA-N 272.417 3.921 30 20 CHED CCC(CC)(CN[C@@H]1CCC[C@@H](C#N)C1)SC 765937794 QRZDLITYMDGDLC-CHWSQXEVSA-N 254.443 3.580 30 20 CHED Fc1ccccc1CCNN=Cc1cccc(Cl)c1F 764722812 MURHZTGDVNVPDK-UHFFFAOYSA-N 294.732 3.784 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)n(C2CC2)c1C 1118738710 UNFGJZGZYAIHNJ-UHFFFAOYSA-N 274.408 3.914 30 20 CHED CC(C)(C)c1ccc(CC(=O)OCC2(CC#N)CC2)cc1 763017322 YESOQSSZMAWVEA-UHFFFAOYSA-N 285.387 3.764 30 20 CHED C=CC[C@H](C)NC(=O)c1c(-n2cccc2)sc(C)c1C 1116079872 TXJMANQQSXBBHU-NSHDSACASA-N 288.416 3.850 30 20 CHED N#Cc1ccc(CNN=C2CCc3cc(Cl)ccc32)cc1 769820846 KUPZXPFHRVADRW-UHFFFAOYSA-N 295.773 3.652 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)C(CC)CC 761743024 QKYFUVKGHUJHKR-LBPRGKRZSA-N 291.366 3.849 30 20 CHED C=CC(C)(C)CC(=O)N1CCCc2cc(OC)ccc2C1 878719698 ALQLFECGKAKCGM-UHFFFAOYSA-N 287.403 3.572 30 20 CHED CC(=NNc1cccc(Cl)c1)c1cnccc1C 771551412 ASMOMFSSJNETNC-UHFFFAOYSA-N 259.740 3.880 30 20 CHED C#CCCCCCCNc1cccc(OCC#N)c1 877169011 CPGNYYJLZYBVAE-UHFFFAOYSA-N 256.349 3.585 30 20 CHED Clc1cccc(C#CCSc2ccc(Cl)nn2)c1 772841856 XDMXDBMQQVCSKV-UHFFFAOYSA-N 295.194 3.927 30 20 CHED Cc1ncc(CC/N=C/c2c(O)ccc3ccccc23)s1 771837184 UWMDEVKZCLWFNB-WOJGMQOQSA-N 296.395 3.972 30 20 CHED C#CCCCCCC(=O)N(C)[C@H](C)c1sc(C)nc1C 779920471 JSEVROYLWOLAET-CYBMUJFWSA-N 292.448 3.863 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)c1csc(C#N)c1 1117761582 XHIZZTRMRQPZLM-NSHDSACASA-N 276.405 3.708 30 20 CHED CSc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)nc1 777206223 UDXAXZHBQNICEF-SNVBAGLBSA-N 287.363 3.987 30 20 CHED C(=NN=c1cc[nH]cc1)c1cc(-c2ccccc2)cs1 779808369 JSRFGXFBKRLVIV-UHFFFAOYSA-N 279.368 3.678 30 20 CHED C=CCC[C@@H](C(=O)OCCC#CC)c1ccccc1 778559024 IWFJKGYMTIGEGL-MRXNPFEDSA-N 256.345 3.693 30 20 CHED CCc1ccc([C@@H](C)CC(=O)OCC2(C#N)CC2)cc1 775860357 UHCWALKFHKSFPM-ZDUSSCGKSA-N 271.360 3.590 30 20 CHED FC(F)(F)CCON=CCCc1ccc2c(c1)CCO2 777460392 OOEQXUKRXLITDI-UHFFFAOYSA-N 287.281 3.509 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1OCC1CC1 779957463 GFIOGNNKDCFKIR-UHFFFAOYSA-N 285.387 3.998 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1-c1ncco1)C(C)(C)C 889012464 GQWBUXYOYPLAKX-AWEZNQCLSA-N 297.358 3.511 30 20 CHED CC(CC1CCOCC1)=NNc1ccc(C#N)c(Cl)c1 783880227 FHPNSTBBWCUWEL-UHFFFAOYSA-N 291.782 3.816 30 20 CHED C=C(CC)C(=O)N[C@H](C(=C)C)c1ccc(F)c(F)c1 1123790627 VGPHUIVACKQJMC-CQSZACIVSA-N 265.303 3.664 30 20 CHED CCN(Cc1ccc(C#N)cn1)c1ccc(C)cc1C 788020189 OJYWDCDIEMHEMU-UHFFFAOYSA-N 265.360 3.597 30 20 CHED CC(C)c1ccc(C=NOCCOCC2CC2)cc1 782308890 RXEKHSXFQVXEPC-UHFFFAOYSA-N 261.365 3.587 30 20 CHED CC#CCCCc1nc([C@H](C)c2cccc(F)c2)no1 897079664 ZGXBPTDSWIYRAF-GFCCVEGCSA-N 272.323 3.707 30 20 CHED C=C1CCC(C(=O)Nc2cnccc2C(F)(F)F)CC1 893236365 FRNVCEHBKSAVLY-UHFFFAOYSA-N 284.281 3.785 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1nccnc1C 783514161 MDMHELJGCPEINW-CYBMUJFWSA-N 296.418 3.983 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCCc3ccccc32)nc1 780328319 CJGHZKMEQWMAQL-GOSISDBHSA-N 277.371 3.511 30 20 CHED CCCCC1CCC(C(=O)NCc2ccc(C#N)cn2)CC1 782027681 QVYBYPZXQRYQPL-UHFFFAOYSA-N 299.418 3.566 30 20 CHED Cc1ccc2nc(/C=C3/CCCC(C)(C)C3=O)cn2c1 789141388 DQXQBXLPQRDASI-LCYFTJDESA-N 268.360 3.805 30 20 CHED N#Cc1ccc(C(=O)OCCc2ccc3ccccc3c2)o1 796153245 BBZCBMMFOHSIKS-UHFFFAOYSA-N 291.306 3.704 30 20 CHED C[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)C(C)(C)C 793518768 OAJXXVRFHXPVCU-HOCLYGCPSA-N 286.419 3.872 30 20 CHED CCCCCCCN1CCCC[C@H]1c1nc(C)no1 796667265 GHTQJCKDTHPNQE-AWEZNQCLSA-N 265.401 3.875 30 20 CHED Fc1ccc(/C=C\C=NOCc2cccnc2)cc1F 794921918 FFLZEIPQIDVJHL-KVIWFCKASA-N 274.270 3.576 30 20 CHED C=C(Br)CN[C@@H]1CCCC[C@H]1SCC 189491216 VBSSNVSYPJZMRO-GHMZBOCLSA-N 278.259 3.549 30 20 CHED COc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1C#N 799497287 MVSPVTJVBOMHIO-NSIKDUERSA-N 293.297 3.528 30 20 CHED CC1(CNN=C2CCC(C(F)F)CC2)CCCC1 793082293 VBRCRUMOBSRODL-UHFFFAOYSA-N 258.356 3.968 30 20 CHED COc1cccc2cc(C(C)=NNc3cccc(F)n3)oc12 795007703 MTQLRTLNGJKXOW-UHFFFAOYSA-N 299.305 3.812 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)c(F)c2)Cc2ccccc21 792205598 VOBFLASNAIZALZ-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc(OC)c(Br)c1 790189491 OALKZQDXPWAABV-SECBINFHSA-N 299.212 3.570 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1coc(C(C)C)n1 799477566 VELBFWCEHBZEAH-UHFFFAOYSA-N 297.362 3.521 30 20 CHED C=CCC1(C(=O)OCCCOc2cccc(C#N)c2)CCC1 791563334 XLKVTXQJLGQVEQ-UHFFFAOYSA-N 299.370 3.617 30 20 CHED CCC(=NNc1cccc(Cl)n1)c1ccc(OC)cc1 793181389 OYNFTUVGWUKZCG-UHFFFAOYSA-N 289.766 3.970 30 20 CHED Cc1c([C@H](C)NCC2(CC#N)CC2)cnn1-c1ccccc1 797587613 WGTYLANLUYBBCH-AWEZNQCLSA-N 294.402 3.525 30 20 CHED CCc1ccc(C(=O)N(CCC#N)CC(C)(C)C)s1 729445217 DUVWZPHPHIXEEF-UHFFFAOYSA-N 278.421 3.712 30 20 CHED C=CCCCOC(=O)c1cc(Cl)nc(Cl)c1 735537177 VSIZVMJOQHWRRA-UHFFFAOYSA-N 260.120 3.511 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(OCC#N)cc1 696059474 CGLKXDRNOHOCER-AWEZNQCLSA-N 290.432 3.549 30 20 CHED CN(CCC(C)(C)C)C(=O)Nc1cc(F)cc(C#N)c1 1219799612 YKJGXZKHSUBUOY-UHFFFAOYSA-N 277.343 3.597 30 20 CHED C=CCCCOC(=O)[C@H]1CCCc2sccc21 771414383 PVDYCNLBFRGOIP-LBPRGKRZSA-N 250.363 3.677 30 20 CHED N#Cc1ccc(C(=O)Nc2c[nH]c3ccccc23)cc1Cl 1157072847 SPXMHWVQSPPRLS-UHFFFAOYSA-N 295.729 3.945 30 20 CHED Cc1cc(Sc2c(C#N)cccc2C#N)ccc1C#N 1307148818 MCWQHNWXEPZDNQ-UHFFFAOYSA-N 275.336 3.761 30 20 CHED CC(C)[C@H]1CN(CCC2(C#N)CCCCC2)CCS1 1307496025 RJHCJUQLLFQLPY-OAHLLOKOSA-N 280.481 3.924 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCC[C@H]1C1CC1 1163501730 ZSCDXEWBCOTXBW-OLZOCXBDSA-N 258.340 3.936 30 20 CHED Cc1c(Cl)cnc(N2CC(C)(C)C2(C)C)c1C#N 1254544291 DPGTYMWTYNTJHE-UHFFFAOYSA-N 263.772 3.540 30 20 CHED N#Cc1cccc(-c2nnc(-c3csc(C4CC4)n3)o2)c1 1326306685 SLJPLRZLZFMXBM-UHFFFAOYSA-N 294.339 3.609 30 20 CHED CC[C@H]1CCN(c2ccc(C#N)c(Br)c2)[C@@H]1C 1655393397 YYJIQLUWBFWRPX-MNOVXSKESA-N 293.208 3.946 30 20 CHED CC(C)CONC(=O)Nc1scc(C(C)(C)C)c1C#N 1334069030 YOROIGJXRIRFSD-UHFFFAOYSA-N 295.408 3.626 30 20 CHED C=C(C)CCC(=O)N(CCCC)Cc1ccccc1O 1335945709 NDVJFVDJSSIJQB-UHFFFAOYSA-N 275.392 3.877 30 20 CHED CCC/C(C)=C\c1nnc(-c2ccc(C#N)cc2)o1 1330047186 RBMDQNJLJXIYBD-LUAWRHEFSA-N 253.305 3.812 30 20 CHED C[C@H](C(=O)N[C@H](C#N)C1CCCC1)c1ccc(Cl)s1 1334282768 WSBNUULYABYULM-GXSJLCMTSA-N 296.823 3.704 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1ccc(F)c(F)c1 1337671918 FBMHAHYBHHKXFC-VIFPVBQESA-N 281.331 3.596 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1 1333506709 IHDYRTHJZVMZFT-KRWDZBQOSA-N 283.415 3.824 30 20 CHED N#Cc1ccccc1N(C(=O)C1(F)CCCC1)C1CCC1 1334261652 NVNSIXOFGQAHOK-UHFFFAOYSA-N 286.350 3.726 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 1347315483 SJXQAQPUTKRKSE-AWEZNQCLSA-N 263.768 3.970 30 20 CHED C=C1CCC(C(=O)OCc2c(C)nn(C(F)F)c2C)CC1 1263387541 WEAGASPIAKSWNG-UHFFFAOYSA-N 298.333 3.685 30 20 CHED C=C[C@H](C(=O)NC(C)(C)c1ccc(C)nc1)c1ccccc1 1346560951 HMDZUQMCECZLOF-KRWDZBQOSA-N 294.398 3.711 30 20 CHED CC(C)(C)[C@H]1CSCCN1Cc1ccc(F)cc1C#N 1197297069 NKWRTYMNFKCZSL-OAHLLOKOSA-N 292.423 3.661 30 20 CHED Cc1oc(C(C)C)cc1C(=O)[C@H](C#N)c1cccc(F)n1 1263382898 JGVMLCDOQNKMFU-GFCCVEGCSA-N 286.306 3.736 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1csc(C(C)=O)c1 1353907032 VRARAWVZODSHDY-ZDUSSCGKSA-N 277.389 3.522 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)C1 1434887992 VLENVIRSMLHTAF-NWDGAFQWSA-N 290.794 3.768 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1ccsc1C#N 1435163784 ZDNVWOUTQXMVDV-RYUDHWBXSA-N 276.405 3.566 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@H](c2ccccc2)C1 111036592 LWUGTLVVEPGHCR-AWEZNQCLSA-N 266.319 3.691 30 20 CHED N#C[C@@H](C(=O)C1(c2ccccc2)CCC1)c1cccc(F)n1 1524696131 OWRFQCZUJKODBQ-CQSZACIVSA-N 294.329 3.519 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(C#N)ccc1F 1529897571 VXMBZKJYECKRIK-XJKSGUPXSA-N 288.366 3.786 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N(CCC#N)CC(C)(C)C 1537484854 CQJWSUIAUYQTDZ-OAHLLOKOSA-N 286.419 3.887 30 20 CHED CC(C)C[C@H]1CCCN(Cc2cccc(F)c2C#N)C1 1474347728 VJAOOZSAUXWSAV-CQSZACIVSA-N 274.383 3.955 30 20 CHED Cc1cc(C#N)nc(Sc2ccc3c(c2)CCCC3)n1 1472809625 UODRTXSTBLWBEK-UHFFFAOYSA-N 281.384 3.687 30 20 CHED C=C(CNC(=O)NC[C@H]1CCC[C@H]1CC)c1ccccc1 1478663063 YENXWURQKQJRIB-NVXWUHKLSA-N 286.419 3.825 30 20 CHED Cc1nc(C#N)cc(Oc2ccc(-c3cscn3)cc2)n1 1472710240 BCJXNCKIMBTXOM-UHFFFAOYSA-N 294.339 3.573 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)Nc1cc(F)cc(C#N)c1 1563172181 YPAXGCYEBDPINF-AWEZNQCLSA-N 289.354 3.788 30 20 CHED C[C@H](NC[C@]1(C)CCCS1)c1ccc(OCC#N)cc1 122068414 FJHKHFCCYGWQBV-BBRMVZONSA-N 290.432 3.525 30 20 CHED Cc1cc(N[C@H]2CCC[C@H](C(C)C)C2)ncc1C#N 1655112345 XDVMZQIVSOJEIO-ZFWWWQNUSA-N 257.381 3.888 30 20 CHED Cc1cc(N(Cc2c(F)cccc2F)C2CC2)ncc1C#N 1655369549 IAMUIPQRWDGXRT-UHFFFAOYSA-N 299.324 3.709 30 20 CHED CCC1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 1667341309 DZEBDSMVOUKIDE-UHFFFAOYSA-N 291.782 3.913 30 20 CHED CCCCCCCN(C)[C@@H](C(=O)O)c1cccc(OC)c1 1595704515 RUYKWAKYJJYLJK-MRXNPFEDSA-N 293.407 3.723 30 20 CHED Cc1cccc([C@H](C)NC(=O)Nc2sccc2C#N)c1 1673282787 MEAWDGFSNGLKNF-NSHDSACASA-N 285.372 3.811 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]1C[C@@H](C)O 124775389 IASHSQOUZQXHTQ-CVEARBPZSA-N 283.456 3.889 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1776783167 GSAFTJXHRVPWSL-NXOAAHMSSA-N 293.451 3.992 30 20 CHED Cc1c(NN=C2CC[C@H]3[C@H](C2)C3(F)F)cccc1C(=O)O 1776089353 OCOPIXYIZHLBPF-RYUDHWBXSA-N 294.301 3.526 30 20 CHED CC(C)(C)ON=Cc1csc2ccc(C(=O)O)cc12 1776051967 UYLYUJZOGMGGKJ-UHFFFAOYSA-N 277.345 3.749 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc(F)c2ccoc12 1776032320 YTHBWIDRADFKHX-UHFFFAOYSA-N 298.273 3.716 30 20 CHED CCC[C@H](C=NNc1ccc(C(=O)O)nc1)c1ccccc1 1776069795 DEGNACWVBHDXAB-CQSZACIVSA-N 297.358 3.761 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@@H](C)c2cccc(Cl)c2)C1 1776157546 ZZELLIBULHJMFY-LRDDRELGSA-N 293.794 3.754 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)cc1)CO2 12825567 HMDKWKAXEZLZTA-NTEUORMPSA-N 280.323 3.662 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@]1(C)CC 161698771 YUHHMHSMOIONEJ-WMZOPIPTSA-N 284.403 3.733 30 20 CHED CC[C@@H](CC#N)NCc1c(Cl)oc2ccccc12 164475025 SLWWKEJEFNSPMW-JTQLQIEISA-N 262.740 3.868 30 20 CHED Cc1cc(C#N)ccc1Cn1cnc2cc(F)c(F)cc21 166357050 PKYJIXQFCOHTIH-UHFFFAOYSA-N 283.281 3.543 30 20 CHED CCC(CC)CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 151529224 CLNOTQNSWHEUDC-GFCCVEGCSA-N 269.348 3.565 30 20 CHED C=CCN(C)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 152890020 WNTHQPYORFNMME-OAHLLOKOSA-N 296.414 3.972 30 20 CHED CC[C@H](C(=O)Oc1ccc(C#N)cc1F)c1ccccc1 157893928 NPACISWWHONNEB-AWEZNQCLSA-N 283.302 3.797 30 20 CHED CCCn1c(-c2ccccc2)nc2cc(C#N)c(C#N)cc21 21999561 ZKVRZQHBKBUUSD-UHFFFAOYSA-N 286.338 3.857 30 20 CHED CCS[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1C 233990110 PTRDLRZCBDGDJR-JKSUJKDBSA-N 274.433 3.631 30 20 CHED C[C@]1(CNc2nc3ccccc3cc2C#N)CCCS1 127871234 AVMAPIAMVDRLGH-MRXNPFEDSA-N 283.400 3.804 30 20 CHED Fc1ccc(CNCCC(F)(F)F)c(C(F)(F)F)c1 129449675 LHXWLTAJAXFVOQ-UHFFFAOYSA-N 289.194 3.887 30 20 CHED C#CCCCCCCN[C@H]1CCO[C@@H](C(C)(C)C)C1 877123586 LURHWJTZWAYMIG-JKSUJKDBSA-N 265.441 3.753 30 20 CHED Cc1nnc(Oc2ccc(F)c(Cl)c2)c(C#N)c1C 24052714 HWTAOWNSEAJVIK-UHFFFAOYSA-N 277.686 3.550 30 20 CHED C=CCCC(C)(C)NCc1cccc(O)c1Cl 657805912 WXYXNMFCZGBALT-UHFFFAOYSA-N 253.773 3.880 30 20 CHED N#Cc1ccc(Cl)cc1OCC1CC(F)(F)C1 296105129 UWHZSTHDBKHPBL-UHFFFAOYSA-N 257.667 3.636 30 20 CHED COc1cc(CN(C)[C@H]2CCC[C@H](C)C2)ccc1C#N 300196267 HNSKTZGLXQHWML-BBRMVZONSA-N 272.392 3.577 30 20 CHED C=CCOc1ccccc1CN[C@H](C)C1CCSCC1 187192988 YMPGYDFSUVLKGV-CQSZACIVSA-N 291.460 3.873 30 20 CHED N#Cc1ccccc1OCCc1ccc(Cl)cc1 308552393 YCGHOZBLOYKLEY-UHFFFAOYSA-N 257.720 3.833 30 20 CHED C[C@@H](C[C@@H]1CCCO1)Nc1ccc(Cl)cc1C#N 511411720 BWSATOKGODDKMI-GWCFXTLKSA-N 264.756 3.581 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc2ccccc2c1 320273619 MKOCIFJFMOCVJT-KBXCAEBGSA-N 269.388 3.818 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccnc1C 92261646 LSHSXDBAHUAPRB-UHFFFAOYSA-N 252.361 3.578 30 20 CHED Cc1cccc(CCNc2ccc(Cl)cc2C#N)n1 359844806 KTHOOQHQEYPGSF-UHFFFAOYSA-N 271.751 3.570 30 20 CHED Cc1nc(NCc2cc(F)cc(F)c2)c(Cl)cc1C#N 359843045 QLRZJVDHIKBBAJ-UHFFFAOYSA-N 293.704 3.805 30 20 CHED N#CCOc1ccc(N[C@H](C2CCC2)C2CC2)cc1 705385372 PYQJHBBCMXQOTG-MRXNPFEDSA-N 256.349 3.580 30 20 CHED Cc1ccnc(N2CC[C@H](C3CCCCC3)C2)c1C#N 708815404 OIHUWVURRJYKEI-HNNXBMFYSA-N 269.392 3.668 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)[C@H]2CCC[C@H]21 378813925 AUDOMSISPOUTKU-ZBFHGGJFSA-N 272.367 3.708 30 20 CHED C[C@@H]1CCCCC[C@H]1Nc1cccc(OCC#N)c1 691073253 QQGIKTVWODSEHA-CZUORRHYSA-N 258.365 3.970 30 20 CHED N#Cc1ccc(OCCOc2ccc(Cl)cc2F)cc1 380176950 CCNGKNGUFJHJPY-UHFFFAOYSA-N 291.709 3.809 30 20 CHED Cc1cc(CNc2cc(F)cc(C#N)c2)c(C)s1 718565232 QIDCERUUMUBTHN-UHFFFAOYSA-N 260.337 3.988 30 20 CHED C=CCCC[C@H](C)Nc1ncc(C(=O)O)cc1Cl 398111954 YUCKFAJFGBECKW-VIFPVBQESA-N 268.744 3.590 30 20 CHED C=CC[C@H](CO)CN[C@H](CCCC)c1ccccc1 341883795 VLCVOHSXDVLASF-DOTOQJQBSA-N 261.409 3.692 30 20 CHED Cc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1Cl 102985641 AXVTVQKLJRGOBZ-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CCC[C@H](C)CC(=O)N(CCC#N)CCC(C)C 103440052 HJHQHNQEQKZCBP-AWEZNQCLSA-N 252.402 3.601 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1c(F)cccc1Cl 175025449 UXNBFNLFMMBRGI-WDEREUQCSA-N 279.746 3.573 30 20 CHED COc1ccc2c(c1)CCCN2Cc1ccccc1C#N 26341246 ZSKUOTLDQADMJY-UHFFFAOYSA-N 278.355 3.520 30 20 CHED C=CCCC(=O)Nc1c(C)cc(Br)cc1C 102232048 PFKIEIBXUFLJFN-UHFFFAOYSA-N 282.181 3.971 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc[nH]c1 109259931 VCDTZIVIOVFQCU-UHFFFAOYSA-N 250.386 3.837 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc[nH]1 66856376 UMQKVGJISHZVCX-LLVKDONJSA-N 285.372 3.661 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1cccc(OC(F)F)c1 116941786 FBBOYYIAINRSMC-WDEREUQCSA-N 298.333 3.613 30 20 CHED Cc1ccc2nc(CSc3ccccc3C#N)cn2c1 173709215 ZYVKXKCYLDHBBA-UHFFFAOYSA-N 279.368 3.807 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CC1 177275549 IKNXBSKWANRKLD-QWHCGFSZSA-N 286.400 3.677 30 20 CHED COc1cccc([C@@H](C)Nc2ccc(OCC#N)cc2)c1 20126500 FXIHUZSUTDDKNJ-CYBMUJFWSA-N 282.343 3.771 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(SC)ccc1Cl 172323686 LSTOPGACOHPMHB-SECBINFHSA-N 269.797 3.756 30 20 CHED CC[C@@H](Sc1ccc(C#N)nn1)c1ccccc1 301985127 YWGYZFVZVNAJFN-CYBMUJFWSA-N 255.346 3.592 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)c(C)n1)c1ccccc1 172180010 NDKPEBPNVMOLCJ-MRXNPFEDSA-N 280.327 3.570 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(C#N)c1 118750975 AWMMEAWGHFSBIQ-INWMFGNUSA-N 283.375 3.743 30 20 CHED CCCc1ccc(CN(CCC#N)Cc2ccccn2)cc1 178388813 YSPVGSLEVDVJMG-UHFFFAOYSA-N 293.414 3.950 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1snc(Cl)c1C#N 301697436 BWBXMIQJPUQRAZ-DTWKUNHWSA-N 287.841 3.754 30 20 CHED N#CC1(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 408022641 UUUVPSSZAJKWSQ-ARFHVFGLSA-N 288.435 3.936 30 20 CHED C=CCSCCNc1ncnc2c1oc1ccccc12 301082589 IKHHEUUPWDKRBL-UHFFFAOYSA-N 285.372 3.707 30 20 CHED CO[C@@H](C/N=C(/N)Nc1cccc(C(C)C)c1)C(C)(C)C 304691764 HMAJAIVYRNAUOU-HNNXBMFYSA-N 291.439 3.598 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccccc1OCC 177865479 OUVVPMLSKUPJNA-LBPRGKRZSA-N 279.405 3.722 30 20 CHED CCc1cccc(OCCOc2ccc(C#N)c(F)c2)c1 303300245 CPMWQGFUQXCPQU-UHFFFAOYSA-N 285.318 3.718 30 20 CHED C[C@@H](NCCCCC#N)c1cccc(OC(F)(F)F)c1 178649725 HFANTBBMQLSWFA-LLVKDONJSA-N 286.297 3.930 30 20 CHED C=CCSCC(=O)N(Cc1cccc(F)c1)C(C)(C)C 173825619 CNRIMTUDVJBOFE-UHFFFAOYSA-N 295.423 3.872 30 20 CHED CCCCCCCC(=O)NC[C@@](C)(O)c1cc(C)oc1C 174648421 DXGWNRNWCHMYLT-QGZVFWFLSA-N 295.423 3.581 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccccc2Cl)CC1 177313455 ZJZQRWNDSGGEEL-ZDUSSCGKSA-N 278.827 3.641 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)/C=C/c1ccccc1C#N 172703121 QYZGSMLGXVQHNT-UNNWNWIUSA-N 282.387 3.609 30 20 CHED CCN(CCC#N)Cc1cc(C)c(OC(F)F)c(C)c1 127611296 LQJRWELXBWJHHZ-UHFFFAOYSA-N 282.334 3.640 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@](C)(CO)C1 120668568 IMXAAVCMLASLCW-KRWDZBQOSA-N 298.471 3.541 30 20 CHED C=CCSCc1cn2cc(Br)ccc2n1 176903351 XCPCZUXULDGQSK-UHFFFAOYSA-N 283.194 3.516 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)[C@@H](C)c1ccccc1 301589400 XAMIBNWQUJWNED-OLZOCXBDSA-N 251.333 3.557 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cccc(-c2nc(C)cs2)c1 120430008 QXXQINDRRCVTEK-MRXNPFEDSA-N 299.399 3.541 30 20 CHED C[C@H](Nc1cccc(C#N)n1)[C@@H](C)c1ccccc1 301480896 RZNIDARCLVVSQG-OLZOCXBDSA-N 251.333 3.557 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(c2ccc(C#N)cc2)C1 302154603 VKTXUCYLBDGCSH-CXAGYDPISA-N 263.344 3.541 30 20 CHED N#Cc1ccc(NC[C@H](c2cccs2)N2CCCC2)cc1 301082358 KCIMWDMYWUKTCN-MRXNPFEDSA-N 297.427 3.869 30 20 CHED Cc1cc(F)cc2c1CN(c1cccc(F)c1C#N)CC2 409666938 DFOGIWRMPPNFHY-UHFFFAOYSA-N 284.309 3.708 30 20 CHED CC[C@H](CC(=O)Nc1ccc(F)cc1OCC#N)C(C)C 120783719 PNCFBACMZUPYBO-GFCCVEGCSA-N 292.354 3.739 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C#N)s1 127583259 PTGAWILURXORFS-HIFRSBDPSA-N 282.412 3.998 30 20 CHED COc1cc(N[C@H](C)c2cccc(C#N)c2)cc(OC)c1 37199187 QDGBYIXEFPHKEY-GFCCVEGCSA-N 282.343 3.749 30 20 CHED CCCCN(CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 180099390 XOHLPQQTVLZYFY-ZDUSSCGKSA-N 289.379 3.631 30 20 CHED N#Cc1cc(N[C@@H]2C[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] 302846441 GRFHFBVNQOBOQE-LSDHHAIUSA-N 297.289 3.574 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1Nc1ncccc1C#N 303233817 YQIMKPLOXRMEKX-HIFRSBDPSA-N 257.381 3.970 30 20 CHED CC(C)c1cnc(SCCCC#N)n1C(C)C 128892509 XCHOTOJAOHIODC-UHFFFAOYSA-N 251.399 3.983 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H]2c2sccc2C)c1 120290895 HABPMYHMUPGSNF-JKSUJKDBSA-N 295.407 3.804 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ccsc1C(=O)O 128906535 CMBXYNNZRCTQIT-UHFFFAOYSA-N 293.731 3.550 30 20 CHED CC#CCSC[C@H](OC)c1ccc(Cl)cc1 509142932 YUUAHYIOKATGDG-ZDUSSCGKSA-N 254.782 3.784 30 20 CHED C=C(C)CN(C)Cc1csc(Cc2ccccc2)n1 181306179 CWTMFAOZVKEZBI-UHFFFAOYSA-N 272.417 3.742 30 20 CHED COc1ccsc1C(=O)/C=C/c1cnc2c(C)cccn12 184768218 FTHYCWZHQMSCFP-AATRIKPKSA-N 298.367 3.609 30 20 CHED COc1cccc(C(=O)/C=C\c2ccccc2F)c1 210420564 QCDRXYSUXPWOEP-KTKRTIGZSA-N 256.276 3.730 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2cccs2)CCC1 188500541 QLFDWFVUYAHRDN-LBPRGKRZSA-N 263.406 3.542 30 20 CHED C[C@@H](NCCc1ccc(F)c(F)c1)c1cccc(C#N)c1 181992930 HELURYXGZOVTSZ-GFCCVEGCSA-N 286.325 3.730 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 185804464 FEQRKLNSACMCKX-NVXWUHKLSA-N 269.388 3.585 30 20 CHED C=CCC1(C(=O)N2CCc3cc(C#N)ccc32)CCCC1 416007990 AKVMHZDCWCEFPL-UHFFFAOYSA-N 280.371 3.584 30 20 CHED C=CCCC(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 187043602 RHTUHDPMEPLIFF-SWLSCSKDSA-N 293.794 3.595 30 20 CHED N#CCCN[C@H](Cc1ccccc1)c1cccs1 411516171 JHWGGQUBDGQWCI-CQSZACIVSA-N 256.374 3.535 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 76709178 XZINYOBBAMNBBK-LSDHHAIUSA-N 296.757 3.954 30 20 CHED C=CCOCCCC(=O)Nc1ccc(OCCC)cc1C 79686039 NPILBHYOQZAYOY-UHFFFAOYSA-N 291.391 3.705 30 20 CHED CCCOc1cccc(CCN[C@@H]2CCC[C@H](C#N)C2)c1 185869361 QQAIHMLALMHOLA-DLBZAZTESA-N 286.419 3.690 30 20 CHED Cc1nc(C)c(-c2nnc(S[C@H](C)CCC#N)o2)s1 188292137 GQLSTLRNSATGGM-SSDOTTSWSA-N 294.405 3.594 30 20 CHED CCCn1c(-c2ccc(OC)cc2)nc2cc(C#N)ccc21 315898147 MXZJKTRXTMMYLR-UHFFFAOYSA-N 291.354 3.994 30 20 CHED Clc1ccc(C#CCN(Cc2cccnc2)C2CC2)cc1 180728254 FMWHSESFMYSCSF-UHFFFAOYSA-N 296.801 3.751 30 20 CHED N#Cc1cccc(COc2cccc(CNCC3CC3)c2)c1 47700963 XLIPVAXZPHXFMB-UHFFFAOYSA-N 292.382 3.637 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(F)cc(Cl)cc1F 182918908 XIKKWZYRXKMKIB-ZETCQYMHSA-N 274.698 3.704 30 20 CHED Cc1cc(C#N)ccc1OCc1ccc(F)c(F)c1 522759039 ADSQYQXYHHDERY-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CCCc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 49054868 JEODTQSUJCDNEX-CQSZACIVSA-N 284.384 3.894 30 20 CHED N#CC1(c2ccccc2)CCC(NC[C@@H]2CC23CC3)CC1 417330065 AFOWVJKHAZTYTO-MUYFXNHWSA-N 280.415 3.780 30 20 CHED C=CCN(Cc1ccc2c(c1)CCO2)Cc1cccs1 506022875 YLAUIZSHXVASPN-UHFFFAOYSA-N 285.412 3.871 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CC)CSc1ccccc1 507484596 QOSIXSQDNCFOPP-KGLIPLIRSA-N 292.448 3.821 30 20 CHED CC(C)c1csc(N=C(O)c2conc2C2CC2)n1 329812055 CXRPIEQKMZYUPM-UHFFFAOYSA-N 277.349 3.768 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1ccc2c(c1)CCCC2 410128762 CYTYKHRNPAENBT-QGZVFWFLSA-N 271.404 3.579 30 20 CHED COc1ccc(CN(C)Cc2ccccc2C)cc1C#N 87833205 CBRFLUYMEUDJJF-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C#CCCCC(=O)N(c1cc(C)ccc1C)C(C)C 192252149 GBGJLLZPGBDTTN-UHFFFAOYSA-N 257.377 3.848 30 20 CHED CCN(C)c1ccc(/C=C/C(=O)c2cccc(F)c2)cn1 191206381 NGBOZMZOKRKYLM-VQHVLOKHSA-N 284.334 3.573 30 20 CHED Cc1ncc(N=C(O)c2ccc(C(C)C)nc2)c(C2CC2)n1 329658293 HEYYODJYUOCSQI-UHFFFAOYSA-N 296.374 3.817 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CC[C@@H](C)C1 429615670 DFNFTKUIWHYGDX-BXUZGUMPSA-N 271.364 3.519 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2CC)c1 48476336 SRBPSOFGSXESBA-ZBFHGGJFSA-N 270.376 3.758 30 20 CHED C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[C@H](C#N)C1 424315663 AIRLTQNJRVUFKT-COPLHBTASA-N 280.774 3.692 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2C)n1 41521676 BPCRIVYUXCXURL-LBPRGKRZSA-N 296.351 3.996 30 20 CHED Cc1ccc(CN[C@H](CCC#N)c2ccccc2)nc1 130490676 XLPZDMUJKHBBCK-QGZVFWFLSA-N 265.360 3.525 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)CCCCCc1cccs1 85439879 USIJTZFODFZTON-CQSZACIVSA-N 292.448 3.905 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 86284225 HUKCJNMQMJOTMI-CHWSQXEVSA-N 289.379 3.630 30 20 CHED CCCN(CC#N)Cc1ccc(-c2c(F)cccc2F)o1 511507817 MPZLCDJAKIQSKN-UHFFFAOYSA-N 290.313 3.960 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 84710383 HMZXGWOBXGHEIE-GXTWGEPZSA-N 289.375 3.597 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)c2ccsc2)n1 80457785 NLSWURHKDSSBRI-SNVBAGLBSA-N 276.386 3.818 30 20 CHED Cc1cc2ccccc2nc1N1CCC[C@@](C)(C#N)C1 612107289 CXVWCDOYYRUCFS-KRWDZBQOSA-N 265.360 3.673 30 20 CHED CSc1ccccc1NC(=O)CCc1ccc(C#N)cc1 136107751 SGQNCKWFQANHOH-UHFFFAOYSA-N 296.395 3.851 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C(/O)[C@H]1CCCC(O)=N1 328816167 PTOKDUAUMNSWQA-QJPTWQEYSA-N 284.425 3.516 30 20 CHED CC(C)O[C@@H](CN(CCC#N)CC1CC1)c1ccccc1 428251283 YZKYGOLTFVVQBT-SFHVURJKSA-N 286.419 3.778 30 20 CHED N#CCCNC(=O)c1cc(-c2ccccc2)ccc1Cl 427636641 CGZIVBWZACUPFI-UHFFFAOYSA-N 284.746 3.650 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1 138893862 OZJBLIBYWRTTMY-GOSISDBHSA-N 278.355 3.601 30 20 CHED CCc1cccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1CC 425686643 WJDNOOUMAPKTMB-GXTWGEPZSA-N 285.391 3.625 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]2CCC[C@H]21 227498276 ZVEJLHQWJCLISP-CMPLNLGQSA-N 295.308 3.741 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2cccc(Cl)c2)C1 192606693 QMJVYKHGMYJHQY-DZGCQCFKSA-N 262.784 3.554 30 20 CHED Cc1c(NC(=O)CC2(C)CCCC2)ccc(C#N)c1C#N 421552256 BGLWGQCKAQDCHQ-UHFFFAOYSA-N 281.359 3.647 30 20 CHED CC(C)(CC(=O)NCc1ccc(C#N)s1)c1ccccc1 421599739 GZWJPZVHZBSOJA-UHFFFAOYSA-N 298.411 3.604 30 20 CHED CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)C#N)ccc21 510364236 UGDLLFNYZWOUJI-LBPRGKRZSA-N 291.354 3.913 30 20 CHED Cn1c(C2CC2)nc2cc(N[C@H]3CC[C@@H](C#N)C3)ccc21 333076540 LFUBFPMKGDXXLB-YPMHNXCESA-N 280.375 3.555 30 20 CHED C#CCCCC(=O)N1CC[C@H](C)Sc2ccccc21 192102227 IOYWTSGTZXPRGO-ZDUSSCGKSA-N 273.401 3.707 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)c1cc(C#N)oc1C 335981476 MWMVKBJHEQRRSS-UHFFFAOYSA-N 288.734 3.698 30 20 CHED C#CCCCC(=O)N(C)c1cc(Cl)cc(Cl)c1 192312261 IXGKBWUFDGFSRZ-UHFFFAOYSA-N 270.159 3.760 30 20 CHED CC[C@H]1CCCN1C(=O)N[C@H](CCC#N)c1ccccc1 334089298 PFPRBLUCAZNQEY-JKSUJKDBSA-N 285.391 3.615 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)C[C@H]1C 517209202 KHGRISRPXULEMZ-UONOGXRCSA-N 288.439 3.747 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(Cc3ccc(C#N)cn3)C2)cc1 514871531 XWTVVTLVKPZKHM-MAUKXSAKSA-N 291.398 3.640 30 20 CHED CC#CCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 511894960 IXWJHXGDXRSYBP-KZNAEPCWSA-N 253.389 3.668 30 20 CHED CSc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 141142388 KGGQFROOWCKPNR-RUDMXATFSA-N 286.352 3.716 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[C@@H](F)C1 512873140 WWTPUVBWZNTWEN-HUUCEWRRSA-N 282.403 3.655 30 20 CHED CC1(C)CCCCN(C(=O)Nc2cccc(CC#N)c2)C1 334731409 YBFCWVHYEYNLBO-UHFFFAOYSA-N 285.391 3.797 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)c2csc(C(C)C)n2)o1 330711135 PRUWRAOFYSIZNT-SECBINFHSA-N 279.365 3.629 30 20 CHED CC1CCC(C)(NC(=O)[C@H](C#N)CCc2ccccc2)CC1 331209848 XAOKXDCCTSFSBU-RMXPPQQLSA-N 298.430 3.844 30 20 CHED C=CCCCN(C)C(=O)c1cc(C(C)C)c(O)cc1C 436600290 GAODYILLKIGMKI-UHFFFAOYSA-N 275.392 3.862 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCSc2c(F)cccc21 163316586 YPKHDZPUEXFABG-ZWNOBZJWSA-N 251.370 3.917 30 20 CHED N#Cc1ccnc(NCC2(Cc3ccc(F)cc3)CC2)c1 342938474 LECFDDMJYPATLP-UHFFFAOYSA-N 281.334 3.527 30 20 CHED C=CCC(C)(C)c1noc(C[C@H](C)n2nc(C)cc2C)n1 340790696 KQGWCWUXTLZLLW-ZDUSSCGKSA-N 288.395 3.540 30 20 CHED CCSc1ccc(C(=O)NCc2cccc(C#N)c2)cc1 349226743 TVRQXZZBHVVLPN-UHFFFAOYSA-N 296.395 3.600 30 20 CHED C=CCCCCCN(C)C(=O)COc1ccc(F)cc1F 523533568 QMZDBLBZSAIPGH-UHFFFAOYSA-N 297.345 3.548 30 20 CHED CC[C@H](CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)C(C)C 247587428 ZVMKJZICALPHKW-FMKPAKJESA-N 264.413 3.647 30 20 CHED Cc1nc2c(C(=O)Nc3cccc(C#N)c3C)cccc2o1 348354136 RPSNBZINRROSEZ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCSC(C)(C)CC1 434708936 WJEPIZXWSHWQJU-CYBMUJFWSA-N 274.433 3.837 30 20 CHED CCc1cnc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 341713333 ZONXUTIWXFDQPF-MRXNPFEDSA-N 297.427 3.744 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 607909704 AGDHZCCRVOGEII-QWRGUYRKSA-N 285.309 3.890 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCCc3sccc32)C1 248830489 HIZNBTUJCKCVQQ-BZPMIXESSA-N 260.406 3.797 30 20 CHED C[C@H](CCC#N)N1CCC[C@@]2(CCc3ccccc3O2)C1 528729788 OAWPAHNHQKTRJO-CRAIPNDOSA-N 284.403 3.538 30 20 CHED N#Cc1cccc(S[C@@H]2CCO[C@H](c3ccncc3)C2)c1 600530980 ULGJFULUWIFFOM-SJORKVTESA-N 296.395 3.966 30 20 CHED CCO[C@H](CCNc1nccc(C)c1C#N)C1CCCC1 343516347 VKRWEMBQGUSPRP-MRXNPFEDSA-N 287.407 3.659 30 20 CHED N#C[C@@H](C(=O)c1sccc1C1CC1)c1ccccn1 342570113 BFGGVFPQWSOAMZ-GFCCVEGCSA-N 268.341 3.511 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(OC(F)F)c(F)c1 349109647 OBOHQJAWWOUPRY-IWQZZHSRSA-N 290.244 3.864 30 20 CHED Clc1cccc(C=NN=c2cc[nH]c3ccccc23)c1 253677576 AHTBHFHBLSJBPS-UHFFFAOYSA-N 281.746 3.756 30 20 CHED Cc1csc(NC(=O)c2ccnc3ccccc23)c1C#N 344887415 FPAQABOUIQGMQD-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC(C)(C)c1ccc([C@H](O)C/N=C\c2ccccc2O)cc1 254992111 YJRMHRGLTWVQHZ-BDBXIWDTSA-N 297.398 3.842 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(C#N)cn1 522676442 ZKUSNGWEJYIBJD-KRWDZBQOSA-N 293.370 3.567 30 20 CHED N#Cc1nc(N[C@@H]2CSc3ccccc32)ccc1Cl 609797637 INZFAVJTXYYRBC-GFCCVEGCSA-N 287.775 3.866 30 20 CHED N#C[C@H](Sc1nnc(-c2ccc(Cl)s2)o1)C1CC1 601077382 SDVAEHMAVKRPTJ-QMMMGPOBSA-N 297.792 3.846 30 20 CHED N#Cc1ccc(SCCCN2CCCCC2)c(F)c1 341553630 NLDIMVCJUKAGAR-UHFFFAOYSA-N 278.396 3.665 30 20 CHED Cc1ccccc1-n1nccc1/C=C/c1ccncc1C#N 349109618 NRWNSKMHFOZJOQ-VOTSOKGWSA-N 286.338 3.618 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2cccc(OCCCC#N)c2)[C@H]1C1CC1 528058380 ZLGUZNKXNYSFHL-VUCTXSBTSA-N 298.386 3.600 30 20 CHED Cc1ccc2occ(CC(=O)NC3(C#N)CCCCC3)c2c1 528324801 GGLLICCNNRDZBG-UHFFFAOYSA-N 296.370 3.626 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccnn2CC)CCCC1(C)C 444945477 UZZKJRACQQXJQP-CYBMUJFWSA-N 290.411 3.502 30 20 CHED C[C@H](C(=O)NC1(c2cccc(C#N)c2)CC1)c1ccsc1 347589404 PUWMHDZYFIOVSH-LBPRGKRZSA-N 296.395 3.529 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(NC(=O)c3ccoc3)c2)C1 442867508 YLUCEHCHLWLCJH-BLLLJJGKSA-N 295.342 3.636 30 20 CHED CCOc1ccc(-c2cn(CCCC(C)(C)C#N)nn2)cc1 603260457 NJZHVPGLNGAPPC-UHFFFAOYSA-N 298.390 3.674 30 20 CHED CN(CCCCN1CCCCC1)CCCC(C)(C)C#N 603109738 GTHSGEWKPMOEGX-UHFFFAOYSA-N 279.472 3.514 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)c1ccc2ccccc2c1 448580334 GGSCQGSZSJGBKU-LXIYXOSZSA-N 278.355 3.567 30 20 CHED C=CCCC1(C(=O)NCc2ccc3ncccc3c2)CC1 357149811 IRYNSEVJGLBSBG-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C=CCOc1ccccc1CNCCCc1ccc(C)nc1 354354232 XVWZRCGMAPJDBD-UHFFFAOYSA-N 296.414 3.677 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 359419522 RFUNCGVDGHDROB-HOTGVXAUSA-N 296.414 3.904 30 20 CHED CCS[C@H](C)c1noc(/C=C\c2ccc(C#N)cc2)n1 357327542 SWYAZTVTGCSVIC-TYBABMIJSA-N 285.372 3.926 30 20 CHED CC(C)CN(CCC(F)(F)F)c1ccc(C#N)cc1 533362652 WNOFVFWWHYJAET-UHFFFAOYSA-N 270.298 3.973 30 20 CHED C=CCC1(C(=O)Nc2ccc([C@H](C)C(=O)O)cc2)CCC1 263335544 QTZYQHSVRLZDSB-LBPRGKRZSA-N 287.359 3.560 30 20 CHED Cc1ccc(C(C)(C)CN[C@@H]2CC[C@@H](C#N)C2)cc1 442792599 QTTUVWZBAOKHJZ-GDBMZVCRSA-N 256.393 3.555 30 20 CHED CCCCn1ncc(N[C@@H]2CC[C@@H](C#N)C2)c1C(C)C 442857040 DWMZUKDVCXZQRS-ZIAGYGMSSA-N 274.412 3.911 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1C(C)C 537188101 NTLSMXXXTVUAKF-ZIAGYGMSSA-N 252.402 3.561 30 20 CHED N#C[C@]1(F)CCN(Cc2ccc(-c3ccccc3F)o2)C1 615651557 UASXZAUMYLARSU-MRXNPFEDSA-N 288.297 3.523 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc2cccnc12 618742005 OSMVCRZBNCEJJS-IBGZPJMESA-N 299.377 3.884 30 20 CHED CC[C@@H]1CN(Cc2ccc(F)cc2C#N)c2ccccc2O1 441358920 WBPDKPZWSUUPPK-MRXNPFEDSA-N 296.345 3.875 30 20 CHED C=CCCC(=O)Nc1n[nH]c(C)c1-c1ccc(C)cc1 530273229 PROFEVVOCVLKHR-UHFFFAOYSA-N 269.348 3.598 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Br)cc1 448556717 GRFNLOITUFKNRT-UHFFFAOYSA-N 268.154 3.600 30 20 CHED C[C@H](C(=O)NC1(c2cccc(C#N)c2)CC1)c1cccs1 269642559 WWQCAXOJFUXRDD-LBPRGKRZSA-N 296.395 3.529 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CCC#N 267078451 XLALNWGYCVHQJX-VXGBXAGGSA-N 250.773 3.677 30 20 CHED COc1ccc(CN(CC2CCC2)CC2CC2)cc1C#N 355723463 CQGOATIDPXPHAB-UHFFFAOYSA-N 284.403 3.579 30 20 CHED CCC(C)(C)OCc1cccc(NC(=O)CC#N)c1C 356943402 SQYJCDCDDBMACQ-UHFFFAOYSA-N 274.364 3.552 30 20 CHED C[C@H]1C[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)CCO1 356799454 TXXUCSYEPHWOER-JQWIXIFHSA-N 298.308 3.804 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)C[C@H](CC#N)c1ccccc1 356814806 JPWKKUIEQOYPSH-BHYGNILZSA-N 284.403 3.721 30 20 CHED C=C(CC)CNc1cccc(C(=O)NC(C)(C)C)c1 536881034 GKFMUQIUOWUBNQ-UHFFFAOYSA-N 260.381 3.593 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](N[C@H]2CCc3cc(C#N)ccc32)C1 618801834 CKHCKPBWEIIVFL-XGIHMFCUSA-N 268.404 3.960 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(C(C)=O)cc1 265730307 RKVVGIQIJJCXDA-UHFFFAOYSA-N 287.403 3.637 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(C#N)cs1 267837578 SWUFVUXUFSSRFC-DGCLKSJQSA-N 276.405 3.661 30 20 CHED CC1(C)CCC[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 619762520 LPDSBDCBYHMJCE-ZDUSSCGKSA-N 290.794 3.654 30 20 CHED CC(C)(CC#N)CNC(=O)CC1CC(c2ccccc2)C1 458043888 QUOHEDWQYIVELM-UHFFFAOYSA-N 284.403 3.626 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCSc2c(F)cccc21 453341819 IJTGUHILKBLBLA-ZNMIVQPWSA-N 293.407 3.686 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(F)c(C#N)c1 452991168 XIEIVSRIQOCOMW-KRWDZBQOSA-N 288.366 3.738 30 20 CHED C=CC(C)(C)CNC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 458985867 JJEHZTVJXFPUDP-RDBSUJKOSA-N 264.413 3.561 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)NCc2cccc(C#N)c2)C1(C)C 457411926 BGUFRKIEENKJKT-UGSOOPFHSA-N 284.403 3.637 30 20 CHED COCCCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 363578146 ZGGRAVVOWGSZOI-ZWKOTPCHSA-N 286.419 3.575 30 20 CHED C[C@@H](NC(=O)N(C)c1ccc(F)cc1)c1cccc(C#N)c1 610406425 ACYINNBHMUEUPA-GFCCVEGCSA-N 297.333 3.604 30 20 CHED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCC(C)C 362968073 ZCQXTTRJSXYOOR-UHFFFAOYSA-N 295.386 3.558 30 20 CHED Cc1c(C#N)cccc1-c1nc(CC2CC(F)(F)C2)no1 453322943 AKTQDCRBRMDTJU-UHFFFAOYSA-N 289.285 3.505 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(C#N)CC1 455538558 KFEQRWDVIMDIJF-HZPDHXFCSA-N 291.439 3.538 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C(C)(C)C)ccc1C#N 619548987 STOLZIFRITUHLO-ZBFHGGJFSA-N 299.418 3.644 30 20 CHED C=CCCSCc1cc(Cl)c2c(c1)OCO2 610092629 QRUKQGAMTUOXBD-UHFFFAOYSA-N 256.754 3.878 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1cccc(C2CC2)c1 451112368 JDRBTLQZXQCEAW-DYVFJYSZSA-N 259.393 3.542 30 20 CHED C=CCN(CC=C)C(=O)NCc1cc(C2CC2)ccc1F 458910019 GSZKPJMGTXKTRM-UHFFFAOYSA-N 288.366 3.587 30 20 CHED Cc1ccc(-c2ccsc2C(=O)NCCCC#N)cc1 273000886 HKJCSGBHEDKJJV-UHFFFAOYSA-N 284.384 3.757 30 20 CHED N#CCc1ccc(NC(=O)c2cc[nH]c2C2CC2)c(Cl)c1 452649317 JVVSAVUXLYRZOR-UHFFFAOYSA-N 299.761 3.864 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(F)cc1C#N 610280239 JUPBXIHRNJDLQL-SJORKVTESA-N 266.319 3.839 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 454493026 ADPNYHDBADXSOD-HZPDHXFCSA-N 272.392 3.588 30 20 CHED C=C(C)[C@H](Nc1nnc(C2CC2)o1)c1ccc(F)c(F)c1 278189248 DNBAKBHZIDVWAM-ZDUSSCGKSA-N 291.301 3.955 30 20 CHED C=CCCCc1nc(-c2cccc3[nH]ccc23)no1 545565427 QNBRNZFUSQBRPM-UHFFFAOYSA-N 253.305 3.727 30 20 CHED CC[C@H](CC#N)Nc1ncc(C(F)(F)F)cc1Cl 273809740 ARJMKGQJFDDUFQ-MRVPVSSYSA-N 277.677 3.858 30 20 CHED CC1(C)CC=C(C(=O)Nc2cccc(CC#N)c2)CC1 456721328 BSPGCGGPQPGSDJ-UHFFFAOYSA-N 268.360 3.828 30 20 CHED CC(C)c1ccc(C(=O)OCc2ccc(CC#N)cc2)cn1 271814083 BGZYLGOOFLGFOL-UHFFFAOYSA-N 294.354 3.628 30 20 CHED C=CCCN(C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 276349819 DBYKIRYNJVSTCF-GFCCVEGCSA-N 289.354 3.753 30 20 CHED C=C(CC)CNC(=O)C1(Cc2ccc(Cl)cc2)CC1 456811773 KMFOIDUCECHFSH-UHFFFAOYSA-N 277.795 3.745 30 20 CHED C=CCC1(CNC(=O)c2c(F)cccc2F)CCCC1 456487353 OWMKAOIXIBFDBE-UHFFFAOYSA-N 279.330 3.831 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@@H]1CCC[C@H](C)C1 546709360 JNHYOHVGFXSSQE-QWHCGFSZSA-N 286.375 3.722 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccc(C)o2)s1 543818230 VFFWMBDZBCRZAI-HNNXBMFYSA-N 288.372 3.739 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc([C@H](F)c2ccc(Cl)cc2)no1 453186227 TZVMFONTPVADJZ-UGQGEIBHSA-N 291.713 3.583 30 20 CHED C=C(CC)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1 456809782 CIUSEDUXNWSULB-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(OCCCC)c1 466404171 ATVDRDGSEIOVGE-UHFFFAOYSA-N 276.380 3.905 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 466230947 APBBUGKFARLUEX-TZMCWYRMSA-N 296.292 3.952 30 20 CHED CC[C@@H](C(=O)N(CC)C[C@@H](C)C#N)C1CCC(C)CC1 461003932 AZCMPQVJDGJIJB-BHDPWAOGSA-N 278.440 3.847 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(Cl)c(C#N)c1 469492580 UPZLVONLDDZUMR-QWRGUYRKSA-N 276.767 3.976 30 20 CHED N#Cc1cccc(CCNCCCCOc2ccccc2)c1 467543760 RFUABJNDVVKUOV-UHFFFAOYSA-N 294.398 3.550 30 20 CHED COc1cc(CN[C@H]2CCCc3ccccc32)ccc1C#N 281703111 NWOKSDINEOJNCW-SFHVURJKSA-N 292.382 3.734 30 20 CHED C=CCCO[C@H](C)C(=O)N(c1cccc(F)c1)C(C)C 622971880 HZJLQUNOKFWXME-CYBMUJFWSA-N 279.355 3.548 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nccn2Cc2ccccc2)C1 283115872 SEELSCMSSHQTAZ-LSDHHAIUSA-N 283.400 3.716 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H](c3cccc(F)c3)C2)n1 552192193 IJACYHIPLBKRTB-OAHLLOKOSA-N 295.361 3.703 30 20 CHED C=CC[C@H](CC)NC/C=C/c1ccccc1[N+](=O)[O-] 466384773 VNVZSXKTFJWBHX-RNVIBTMRSA-N 260.337 3.552 30 20 CHED N#CCC[C@H](C#N)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 554432852 IHGDDLYKMLSBNZ-RDTXWAMCSA-N 297.377 3.795 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@H](C(C)(C)C)CC1 280739167 WPKWMGBAHKAEOR-ZDUSSCGKSA-N 288.391 3.748 30 20 CHED CN(CC#Cc1ccc(F)cc1)c1cccc2cccnc12 551043540 WXMMYPWVJKYFIQ-UHFFFAOYSA-N 290.341 3.862 30 20 CHED C=CCCCCNC(=O)c1ccc2nccc(C)c2c1 552454531 TUGOFJGPDWWHHC-UHFFFAOYSA-N 268.360 3.629 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(NC(=O)CCC)c1 468110521 PIMSHBYMCSKOHX-QGZVFWFLSA-N 288.391 3.966 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cccs1 281033657 QRLPOXSUEGLVOK-VOTSOKGWSA-N 260.362 3.730 30 20 CHED C[C@H](C#N)C(=O)NCc1ccc(C2CCCCC2)cc1 554076962 HWBGSYIYCSYTEF-CYBMUJFWSA-N 270.376 3.510 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2c(F)cc(F)cc21 557748324 OQCUMBUECWDCPA-LLVKDONJSA-N 294.345 3.782 30 20 CHED CC#CCCNC/C(C)=C\c1ccccc1OC(F)F 555103250 AQLRCTBCLFMPMT-QBFSEMIESA-N 279.330 3.694 30 20 CHED C=C(Cl)CN[C@@H]1CCC[C@H](c2ncccc2C)C1 281567970 KHRCXAHRSMKXAS-UONOGXRCSA-N 264.800 3.758 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc(Cl)c(Cl)c1 284837602 BQBJNFHJTXAETB-LBPRGKRZSA-N 272.131 3.839 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](CN(C)C)c1ccc(F)cc1 558255334 LLEOZTZVLJYRIN-GRDNDAEWSA-N 278.415 3.619 30 20 CHED C=CCC1(c2nc([C@H]3CCCS3)no2)CCC1 289183543 WCAUAHPFZGPFOA-SNVBAGLBSA-N 250.367 3.636 30 20 CHED Cc1ccc(-c2ccnn2C)cc1NCCC(C)(C)C#N 288764543 SYFHFQNJGMCJKP-UHFFFAOYSA-N 282.391 3.747 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC(C)(C)[C@H]1c1cccs1 288349334 LTMOVIMAUOOJMU-TZMCWYRMSA-N 293.432 3.639 30 20 CHED C=CC[C@H](C)NC(=O)c1c(C)ccc(Br)c1C 559882481 YOAIMNBMLVTKMC-JTQLQIEISA-N 296.208 3.760 30 20 CHED CCCCC[C@H](C)NC(=O)NCC(C)(C)CCC#N 806283774 DQZLLJFFTPPHBM-ZDUSSCGKSA-N 267.417 3.584 30 20 CHED C=CCCCCCCNC(=O)c1cc2ccccc2oc1=O 805220649 ZRRYZQWWUXDPQU-UHFFFAOYSA-N 299.370 3.659 30 20 CHED C#C[C@@H](NC(=O)N[C@H](C)c1ccccc1Cl)C(C)(C)C 808185008 VGMYWWUMHIUHIR-BXUZGUMPSA-N 292.810 3.748 30 20 CHED C[C@H](NC[C@@H]1COc2ccccc21)c1ccc(C#N)c(F)c1 290380430 RSIMXSMWCKQGSO-SWLSCSKDSA-N 296.345 3.524 30 20 CHED COc1ccc(O)c(C=Nc2cccc(F)c2Cl)c1 804598158 KNZBGLWXQURQFH-UHFFFAOYSA-N 279.698 3.944 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCCC[C@@H]1SCC 472780793 ASVMTELKYLHGET-KBPBESRZSA-N 284.469 3.706 30 20 CHED C=C(C)[C@H](CC(=O)NC(C)(C)c1ccccc1F)OCC 293886356 FZMDNNAZMANNIN-HNNXBMFYSA-N 293.382 3.548 30 20 CHED C#CC[C@H](NCc1ccc(C#C)cc1)c1ccccc1 809425769 UECILCGXFYNRJO-IBGZPJMESA-N 259.352 3.522 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@@]1(C)C(C)C 476389769 OSIYDBYPHHKWIA-YJBOKZPZSA-N 287.403 3.550 30 20 CHED Cn1cc(CN2CC3(CCC3)[C@@H]2c2ccccc2)cc1C#N 294094241 ZTDPYMLZAPERCJ-SFHVURJKSA-N 291.398 3.624 30 20 CHED C=C(C)Cn1c(CC)nnc1N(C)[C@H](C)c1cccs1 642726013 AHKHSZBFSMEXJI-GFCCVEGCSA-N 290.436 3.676 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(C)cccc1OC(F)F 806256295 MJSIVIROTLJAEY-NSHDSACASA-N 296.317 3.520 30 20 CHED C=CCCC1(c2nc(Cc3ccc(F)c(F)c3)no2)CC1 569390030 OIZJFEAXPWSXOF-UHFFFAOYSA-N 290.313 3.936 30 20 CHED CCCn1ccc(-c2nc3cc(C#N)ccc3n2CC)c1 478216191 YBWXJLMZULVRGP-UHFFFAOYSA-N 278.359 3.806 30 20 CHED C=C(C)COc1cccc(NC(=O)Cc2ccc(O)cc2)c1 470928331 APHKDGIHNAWEGK-UHFFFAOYSA-N 297.354 3.528 30 20 CHED N#Cc1ncccc1NCCc1ccc2ccccc2c1 569752110 IFKFLDQEORJQOC-UHFFFAOYSA-N 273.339 3.761 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC1CCC(C)(C)CC1 474152642 VNYJFPAIHANKKA-KRWDZBQOSA-N 281.440 3.548 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccccc1CCC 292751240 UXXDCEJEYGHPDG-UHFFFAOYSA-N 271.364 3.573 30 20 CHED C=CCCC1(C(=O)NC[C@@H](C)c2ccccc2)CC1 474211596 VVPBWNBHKBKHQU-CQSZACIVSA-N 257.377 3.653 30 20 CHED O=C1/C(=C/c2ccccc2F)C[C@H](C(=O)O)c2ccccc21 806559844 FWRMELUQZAUBEY-RZXPCSSPSA-N 296.297 3.664 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 805217770 JQWZTUWELBTVTI-HUUCEWRRSA-N 293.451 3.881 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc2occc2c1)OCC 802853849 BJJUDZDPOLUPII-INIZCTEOSA-N 288.343 3.847 30 20 CHED C=CC[C@H](C)NCc1c(F)cccc1OC(F)(F)F 560049141 UHYDUDQGYCBJJW-VIFPVBQESA-N 277.261 3.779 30 20 CHED Cc1ccc2ncc(C#N)c(OC/C=C/Cl)c2c1 813577348 PCJITTMWYLKPPY-GORDUTHDSA-N 258.708 3.546 30 20 CHED Cc1c(C=NNc2cccc(C#N)c2)n(C)c2ccccc12 814786264 BJNGCZMEBQESCT-UHFFFAOYSA-N 288.354 3.804 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1Cc2ccccc2O1 811590198 SGHFQDCFPZWOGN-KRWDZBQOSA-N 287.403 3.633 30 20 CHED C#Cc1ccccc1Cc1nc([C@H](C)c2cccs2)no1 810299832 RAFNQJMTAWFDRX-GFCCVEGCSA-N 294.379 3.855 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1n[nH]c2ccccc12 484879768 LGVBKRUVMOKSEY-UHFFFAOYSA-N 297.402 3.771 30 20 CHED C=C(CNCc1scnc1C1CC1)c1ccccc1 486955932 MEKQIWQCPMQARS-UHFFFAOYSA-N 270.401 3.824 30 20 CHED C/C(=C/C(=O)N(C)CC(C)(C)C#N)c1ccccc1Cl 817617919 KTJWZEIFYPDKRN-XFXZXTDPSA-N 290.794 3.751 30 20 CHED C=CCOc1ccc(CNC(=O)C(C)(C)CCC)cc1 650020700 ZSODZOVMMJZHOZ-UHFFFAOYSA-N 275.392 3.694 30 20 CHED CCC[C@H](NC(=O)Cc1cccc(C#N)c1)C1CCCC1 579442884 RDJVIOVQQXXQCA-KRWDZBQOSA-N 284.403 3.576 30 20 CHED C[C@@H](C=NNc1ccccc1C(=O)O)C1CCCCC1 814768388 USZWLNQYMISVER-LBPRGKRZSA-N 274.364 3.999 30 20 CHED C=CC[C@@H](C)NCc1ccc(-c2ccccc2C(=O)OC)o1 482199773 PVBWDMPJOQCVRI-CYBMUJFWSA-N 299.370 3.787 30 20 CHED Clc1ccc(NN=C2COc3ccccc32)cc1 814683615 IXCNIZAHJIPMGT-UHFFFAOYSA-N 258.708 3.549 30 20 CHED CC(C)[C@H](Nc1ccnc(C#N)n1)c1ccccc1Cl 571178448 DTPWJEYKUXENGC-HNNXBMFYSA-N 286.766 3.811 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 487007702 HWELSGQLIWXGOK-UHFFFAOYSA-N 298.386 3.875 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C#N)s1)C1CC1 487281214 SUXYEUVFBTUDOW-QWRGUYRKSA-N 276.405 3.659 30 20 CHED CCC(CC)NN=C1CCC[C@H](CCCC(=O)OC)C1 814851899 ZYZQLOVKNXXZKR-CYBMUJFWSA-N 282.428 3.654 30 20 CHED CC(C)(C#N)CC[S@](=O)C1CCC(C(F)(F)F)CC1 577708311 GJUPEUQNVAPFGW-VOOQFJNLSA-N 295.370 3.796 30 20 CHED CC(Cc1cccs1)=NNc1nc(-c2ccccc2)no1 729638737 BQAGORLJTDVVRQ-UHFFFAOYSA-N 298.371 3.829 30 20 CHED C#CCCCCCC(=O)N1CC2(CCC2)[C@@H]1C(C)C 814134655 AXOFNVFSAAXPTN-INIZCTEOSA-N 261.409 3.607 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)[C@@]2(C#N)C[C@H]2C)c2ccccc21 574031580 YVIIDAYEIRYQSX-HALQFCHDSA-N 282.387 3.537 30 20 CHED C[C@H]1C(=NNc2cccc3cnccc23)CC[C@H]1CC(=O)O 814835849 DGWGZPPVDGIQCN-NEPJUHHUSA-N 297.358 3.524 30 20 CHED C[C@H](NCc1scnc1C1CC1)c1ccc(C#N)cc1 486983046 CAMUFIZQVFFKBT-NSHDSACASA-N 283.400 3.743 30 20 CHED C=CCC1(NC[C@@H]2CCC[C@H](C)C2)CCOCC1 657633235 KLHKELUQRRHTCK-LSDHHAIUSA-N 251.414 3.528 30 20 CHED C=CCCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 576366647 DSPJZUWMZWEZQN-OAHLLOKOSA-N 261.413 3.977 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1OC(F)F 486782303 USCFPWRIWIUQQF-LLVKDONJSA-N 296.317 3.860 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(C#N)cn1 570981617 SFACHZPVBDATCL-CLCXKQKWSA-N 291.398 3.720 30 20 CHED CC[C@@H](C)n1ncc(Nc2ncc(C#N)cc2F)c1C1CC1 572940012 ZWKJZQIXRGQOLN-SNVBAGLBSA-N 299.353 3.881 30 20 CHED N#Cc1cnc(Nc2ccc([C@H]3CCOC3)cc2)c(Cl)c1 577655093 XFPGDKZJESGFCD-ZDUSSCGKSA-N 299.761 3.854 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCC1(COC)CCC1 658024452 XQPJDGLQKKAUEF-HZPDHXFCSA-N 265.441 3.918 30 20 CHED FC(F)(F)c1ccccc1C=NNC1CCCC1 727652794 PTLBGZUJRBPDJM-UHFFFAOYSA-N 256.271 3.572 30 20 CHED CC(C)CN(C(=O)c1cc(C#N)ccc1F)C1CCCC1 824567713 URUYXOIKCNRCDS-UHFFFAOYSA-N 288.366 3.738 30 20 CHED C=C(CC)CNC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 825221621 UGWMZZBUANEOII-CABCVRRESA-N 296.455 3.578 30 20 CHED Fc1ccc2c(c1)C(=NNc1cccc3cnccc13)CO2 728433164 VJQGPLBIVLNKFZ-UHFFFAOYSA-N 293.301 3.583 30 20 CHED c1ccc2c(c1)CCC(=NNc1cnc3ccccc3n1)C2 727256242 NHAYWIJACIYUTF-UHFFFAOYSA-N 288.354 3.587 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H]1CCc2ccccc2C1 490030419 LHOHYVMWLFSADJ-OAHLLOKOSA-N 285.431 3.900 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cnc(Cl)s1 823616964 DWCKQUOUOPCESV-SNVBAGLBSA-N 291.807 3.861 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N[C@@H](C#N)CC(C)C)cc1C 726560501 ZPTKEXDVJHTMAQ-JTGQJZMRSA-N 284.403 3.680 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(C)o1 729146007 JWGAUONDHLWMBV-UHFFFAOYSA-N 256.349 3.534 30 20 CHED C#CCCCOC(=O)CCc1ccc(C)c(Cl)c1 727040746 PTRSFCIWAAUTFK-UHFFFAOYSA-N 264.752 3.538 30 20 CHED C#Cc1cccc(NC(=O)Cc2c[nH]c3cccc(C)c23)c1 728806824 OGYDHIJFUAMRRL-UHFFFAOYSA-N 288.350 3.639 30 20 CHED C=CCC[C@H](NCc1cnccc1C(F)(F)F)C1CC1 663471524 RIACSYBYJNWXRW-AWEZNQCLSA-N 284.325 3.935 30 20 CHED N#Cc1sccc1C(=O)N1CCC[C@H](c2ccccc2)C1 908371003 AQKFFHNLYQHWFV-AWEZNQCLSA-N 296.395 3.640 30 20 CHED C=CC[C@@H]1CCCN(CC(=O)Nc2c(C)cccc2C)C1 661379334 BSMKEOYDHINLMK-MRXNPFEDSA-N 286.419 3.530 30 20 CHED CC(C)(C)c1ccc(C=NOCc2nc(C3CC3)no2)cc1 736297270 UQWDUJMDWBSDDJ-UHFFFAOYSA-N 299.374 3.795 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCCC2(C)C)cc1 581335386 JPRUGABJYKEZEV-HOTGVXAUSA-N 284.403 3.756 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 584734576 BKWZHVXUINMWMC-HNNXBMFYSA-N 273.420 3.953 30 20 CHED C#CCOc1ccc(NC(=O)/C=C(\C)c2ccccc2)cc1 730979357 GHTZUISTEPVSBT-CCEZHUSRSA-N 291.350 3.741 30 20 CHED CC(C)CCOc1ccccc1NCc1cc(C#N)ccn1 901425229 NTIVVXUAUUQDEZ-UHFFFAOYSA-N 295.386 3.990 30 20 CHED CC1(C)Oc2ccc(NC(=O)CCCCCC#N)cc2O1 588156380 BGKXUQLGIQAWKX-UHFFFAOYSA-N 288.347 3.606 30 20 CHED C#CCOc1ccc([C@@H](C)OC(=O)c2cc(C)oc2C)cc1 730426898 FZLNSIIRSNHSIC-CYBMUJFWSA-N 298.338 3.826 30 20 CHED CC(Cc1cnccn1)=NNc1c(C)cccc1C(C)C 834979373 NURTUKHBJHUMQL-UHFFFAOYSA-N 282.391 3.939 30 20 CHED C=CCCNC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 661572109 HCXIEHVGXPBPAQ-CQSZACIVSA-N 292.810 3.633 30 20 CHED Cc1ccc(C(=O)/C=C\c2cncn2C(C)C)c(C)c1 901431940 ZCDVUWOHTSDDFQ-VURMDHGXSA-N 268.360 3.977 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cscc2C)C1 666421076 XQSGQVUSARXWTM-GFCCVEGCSA-N 264.394 3.877 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(SCC(F)F)cc1 903107073 ZWRRKJJWIQIOCE-LLVKDONJSA-N 296.386 3.998 30 20 CHED CC[C@H](NCc1cncc(C)c1)c1cccc(C#N)c1 902890008 VKWMJPLYOVJWIT-KRWDZBQOSA-N 265.360 3.503 30 20 CHED C=CCOCCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 583269036 QNFZUINMWTXSHH-UHFFFAOYSA-N 299.336 3.872 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCC1(C#N)CC1 903105570 DYMINHJWIBGAHX-MRXNPFEDSA-N 279.387 3.747 30 20 CHED C[C@@H](CNC(=O)CCCCCC#N)Sc1ccccc1 588159949 QYASMCZETQVLIV-AWEZNQCLSA-N 290.432 3.757 30 20 CHED C=CCCC[C@H](C)NC(=O)CCC[C@H](O)c1ccccc1 831732357 HXVHFTOEXDTLJS-RDJZCZTQSA-N 289.419 3.751 30 20 CHED CC[C@@H](C)[C@H](C=NNc1ccc(F)cc1C)OC 834965663 GIPUXXFUCGDTRP-YGRLFVJLSA-N 252.333 3.593 30 20 CHED CC(CC1CCOCC1)=NN[C@@H]1CCc2c(F)cccc21 835021711 YRRNGEPWUQFZIZ-QGZVFWFLSA-N 290.382 3.595 30 20 CHED N#CC1(COC(=O)c2cc3ccncc3s2)CCCC1 835283556 ZXUXVIQYLFZOBL-UHFFFAOYSA-N 286.356 3.537 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)c2ccc(C)o2)c1 837139585 YGAQRFZTJJIXQC-GFCCVEGCSA-N 268.316 3.510 30 20 CHED CC(Cc1coc2ccccc12)=NOCC(F)(F)F 834962640 FZKPJOLCPNBKPD-UHFFFAOYSA-N 271.238 3.930 30 20 CHED CC(C)C[C@H](C)OC(=O)Oc1ccc(C#N)c(F)c1 830435510 UNRKAYPJSHRPEJ-JTQLQIEISA-N 265.284 3.647 30 20 CHED C=CC1CCN(C(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)CC1 599677063 LNCKNCZHZJOZOV-CZUORRHYSA-N 287.403 3.760 30 20 CHED COc1cccc(NC(=S)NN=C(C)CCC(C)C)c1 916298385 JDIFHMGCFBIKEU-UHFFFAOYSA-N 293.436 3.794 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2cc(C)c(C)o2)c1 834904197 WDCITGMUBBVQTK-ZDUSSCGKSA-N 253.345 3.729 30 20 CHED Cc1ccc2c(CCC(=O)OCCCCC#N)c[nH]c2c1 745756506 ANOFRHQHEPDRGZ-UHFFFAOYSA-N 284.359 3.646 30 20 CHED CCc1ccc(C(C)=NNc2cc(Cl)nc(C)n2)s1 741764111 UISUASAIPCUOGJ-UHFFFAOYSA-N 294.811 3.898 30 20 CHED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)[C@@H]1CCOC1 741756099 GXRITLLYLRWAGT-OAHLLOKOSA-N 297.402 3.984 30 20 CHED N#CCCCCN1CCc2nc(-c3ccccc3)sc2C1 595711037 DPVRKBUTFSQSOD-UHFFFAOYSA-N 297.427 3.862 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](CN(CC)CC)C1 742866642 YBPSNSXRUHXSCO-INIZCTEOSA-N 282.472 3.537 30 20 CHED C=CCN(CCOc1ccccc1C(F)(F)F)C(C)C 747811604 JJASDGMOVHVREI-UHFFFAOYSA-N 287.325 3.981 30 20 CHED CCCCCCCCCNC(=O)N1CCC([C@H](C)N)CC1 841663589 WEOBDTJJZLVHJM-HNNXBMFYSA-N 297.487 3.506 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(SC(F)F)cc1 844479736 RCDNHOFXYZVKKE-QMMMGPOBSA-N 288.319 3.629 30 20 CHED CC1(C)C[C@@]1(C)NCc1cccc(OCCCC#N)c1 594996995 QPCHPHLIELHZSM-QGZVFWFLSA-N 272.392 3.647 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cnc3cccc(C)n13)C2=O 748999375 WVISAADVRBNJFN-XNTDXEJSSA-N 288.350 3.774 30 20 CHED N#Cc1ccc(C(=O)COC(=O)CCC2CCCCC2)cc1 747991996 NUJNPZCYTPMURT-UHFFFAOYSA-N 299.370 3.645 30 20 CHED N#CC1(CC(=O)N2CCCc3ccccc3C2)CCCCC1 597173480 FLDNDQXRVJSTHT-UHFFFAOYSA-N 296.414 3.826 30 20 CHED O=[N+]([O-])c1cc(NN=C2CCC(F)(F)CC2)ccc1F 842530466 UNPPZFRZHDRONL-UHFFFAOYSA-N 287.241 3.711 30 20 CHED C#CCOc1cc(F)ccc1NCc1cccc(F)c1F 742376249 OPUOFPQRAHPSLH-UHFFFAOYSA-N 291.272 3.728 30 20 CHED Fc1ccc(CNN=Cc2c[nH]c3ccccc23)cc1F 915977271 WRLICNWMYURQMU-UHFFFAOYSA-N 285.297 3.570 30 20 CHED C=CCNC(=S)N(CCCC)[C@@H](C)c1ccccc1 745686443 ARGFRKMZZVKQFF-AWEZNQCLSA-N 276.449 3.910 30 20 CHED C#CCOc1ccc(CNC(CC)(CC)CC)cc1 742373370 AGXQVLGQBNQGGA-UHFFFAOYSA-N 259.393 3.757 30 20 CHED N#C[C@H](C(=O)C[C@H]1C=CCCC1)c1nc(C2CC2)cs1 842946859 XRUGAZGGNYANQM-WCQYABFASA-N 286.400 3.943 30 20 CHED CCCNN=Cc1ccc(-c2nc3ccccc3s2)o1 915966207 ZDTLTZPEQIGDPJ-UHFFFAOYSA-N 285.372 3.890 30 20 CHED CC(C)CC1(C(=O)OCC(=O)c2ccc(C#N)cc2)CCC1 748307687 OYIPVTWEEIMYDL-UHFFFAOYSA-N 299.370 3.501 30 20 CHED Cc1cccc([C@H]2CCCN2CCc2ccc(C#N)cc2)n1 595346928 YKGMHROSPOJKHZ-LJQANCHMSA-N 291.398 3.641 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(C#N)ccc2C)c1 746340743 QCQCKQPDACZUIP-UHFFFAOYSA-N 280.327 3.722 30 20 CHED CC(C)(C#N)C[C@H](O)CSc1ccc(Cl)c(F)c1 598703512 AMPJTLCZCRSTDU-VIFPVBQESA-N 287.787 3.872 30 20 CHED CC(=NOCC(C)C)c1ccccc1OC(F)F 749631324 KOYVQWFRNDIEOT-UHFFFAOYSA-N 257.280 3.685 30 20 CHED C#CCCCC(=O)O[C@@H](C#C)c1cccc(C(F)(F)F)c1 842410493 XXHKNVWKFZDSGP-AWEZNQCLSA-N 294.272 3.726 30 20 CHED CCCCCCCNCc1cnc2cccc(C)n12 749109840 UOODJBWLPKMCKO-UHFFFAOYSA-N 259.397 3.703 30 20 CHED C[C@H]1CC(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H](C)C1 591064056 ZMUCYKOBZRKWKN-COCCGSRQSA-N 296.414 3.603 30 20 CHED CCCCNN=Cc1ccc(OCCCC)c(OC)c1 915966446 RVTIJNHFRXNOAF-UHFFFAOYSA-N 278.396 3.598 30 20 CHED CC[C@@H](NC[C@H](OC)C1CCCC1)c1ccc(C#N)cc1 595093469 BFLBILBVSZBIBB-MSOLQXFVSA-N 286.419 3.804 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cc([N+](=O)[O-])ccc1Cl 925513795 LWNQAYLGXABEJS-JTQLQIEISA-N 295.770 3.666 30 20 CHED N#CCC1(COC(=O)c2csc3ccccc23)CC1 744276374 UHOXYSWPWRQTRB-UHFFFAOYSA-N 271.341 3.752 30 20 CHED C=C[C@H](C)ON=C(C)c1nc2ccc(Cl)cc2n1C 844622087 ULBYVUOEJDMIPZ-VIFPVBQESA-N 277.755 3.542 30 20 CHED Cc1cc(C)c(NCC#Cc2cccc(Cl)c2)cc1CO 682458246 IUSIOAFZDWULTC-UHFFFAOYSA-N 299.801 3.913 30 20 CHED C#CC[C@H](OC(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccccn1 850819115 KFRKGBVNDHNCOH-INMHGKMJSA-N 297.398 3.906 30 20 CHED CCCCCCCCNC(=O)c1ccc(CC#N)cc1 759677235 CGQIPPAPURZQDM-UHFFFAOYSA-N 272.392 3.843 30 20 CHED CC(C)CN(CCC#N)Cc1ncc(-c2ccccc2)o1 755671619 WVDYRIDDISIISD-UHFFFAOYSA-N 283.375 3.713 30 20 CHED CCCCCCCNC(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 858114681 QFOZXTLZKKJONB-STQMWFEESA-N 290.398 3.890 30 20 CHED CCCCCCCCNC(=O)c1ccc(COC)cc1 754851138 SURSAWWVEOIOQT-UHFFFAOYSA-N 277.408 3.923 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(Cl)nc1 850504027 SJTAVZCUMSVQFP-NSHDSACASA-N 270.829 3.695 30 20 CHED Fc1cc(F)cc(NN=C2CCc3ccccc32)c1 920376816 UQNDWNDPMCTKOF-UHFFFAOYSA-N 258.271 3.727 30 20 CHED COC(=O)c1cccc(NN=C[C@@H]2CC=CCC2)c1C 853397555 GRJKBRRGXFDXHC-CYBMUJFWSA-N 272.348 3.536 30 20 CHED CCCCCCC=Nn1cnc2sc(C)c(C)c2c1=O 755518923 PSXRDRBVIDILSR-UHFFFAOYSA-N 291.420 3.879 30 20 CHED CCC(=NNc1c(C)cc(C)cc1C)c1ccn(C)n1 758124536 MZEXDCUPKJKZRD-UHFFFAOYSA-N 270.380 3.572 30 20 CHED C[C@@H](Sc1ccc(F)cc1)C(=O)OCC1(CC#N)CC1 924252786 OMDKOGKHLHRZAQ-LLVKDONJSA-N 293.363 3.543 30 20 CHED C[C@]1(CNc2nc(C#N)c(Cl)s2)CC1(Cl)Cl 853663163 UOZGQOFZJQSMGD-MRVPVSSYSA-N 296.610 3.664 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc2c(c1)OCO2 750894941 CGTFYLOSSZMMRF-ZZXKWVIFSA-N 284.286 3.759 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(CC)[C@H](C)C#N)cc1 856075596 OFKOAAVUNZHJRR-CHWSQXEVSA-N 258.365 3.574 30 20 CHED CC1(C)C(=NOCC(F)F)C[C@H]1OCc1ccccc1 758903595 MFVMJOJAAWECCH-CYBMUJFWSA-N 283.318 3.639 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCCc2ccccc21 51632519 QOTNFTMKXKRYOI-OAHLLOKOSA-N 270.376 3.510 30 20 CHED CC(Cc1ccc2c(c1)CCCC2)=NOC[C@H]1CCOC1 853337112 WEFIROGXNKSOGL-INIZCTEOSA-N 287.403 3.537 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc(F)c(Cl)c2)c1 755651805 ZWNUCIPTKDZCFB-UHFFFAOYSA-N 298.695 3.881 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNc1nc(O)c2ccccc2n1 757583581 DZZPCCURNBEDLD-NSHDSACASA-N 298.390 3.950 30 20 CHED C#CC[C@@H](NC(=O)CCc1cccs1)c1ccccc1 757580977 VLSOHJXCHKKEJX-MRXNPFEDSA-N 283.396 3.562 30 20 CHED CC(=Nn1cc(Br)cn1)c1ccc(C)c(C)c1 752742551 GOFZPYHDVSDKJK-UHFFFAOYSA-N 292.180 3.535 30 20 CHED CCc1ccc(CCC=NN2Cc3ccccc3C2=O)cc1 758127273 QWEDRCXWXPVWFX-UHFFFAOYSA-N 292.382 3.823 30 20 CHED CCCCCCCc1nc(Cc2ccc(OC)nc2)no1 762125122 GPQBYBHSFKZYEI-UHFFFAOYSA-N 289.379 3.577 30 20 CHED CCc1noc(C)c1C(C)=NNCc1ccc(Cl)cc1 769821448 XCEMKIIRLJCGLG-UHFFFAOYSA-N 291.782 3.713 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(-c2ncc[nH]2)c1 931860182 UDDCBZOCKMTVJV-LBPRGKRZSA-N 269.348 3.618 30 20 CHED Cc1sc(/C=C\c2ccc(C#N)s2)cc1C=O 760265981 QXRLYGVGCFKHCV-RQOWECAXSA-N 259.355 3.973 30 20 CHED N#Cc1cc(NC(=O)[C@@H](F)c2ccccc2)ccc1Cl 768972744 CTNNAHOLAIELCO-AWEZNQCLSA-N 288.709 3.861 30 20 CHED CC(C)CN(Cc1ccc(CC#N)cc1)CC(C)C 57661375 MKGSTOUZFJNRRP-UHFFFAOYSA-N 258.409 3.867 30 20 CHED C#CCC1(C(=O)Oc2ccc(C#N)c(C)c2)CCCCC1 765094805 RLVBUMDAPRTYKA-UHFFFAOYSA-N 281.355 3.746 30 20 CHED Cc1ccc(C(=O)OC[C@H](C#N)Cc2cccs2)c(C)c1 767144106 HYRBDJPCHBRCQF-AWEZNQCLSA-N 299.395 3.904 30 20 CHED C#CCCOC(=O)C1(Sc2ccccc2)CCCC1 765473199 CHUMBNPRPIWSJI-UHFFFAOYSA-N 274.385 3.658 30 20 CHED CCCC(CC)=NNc1ccc(F)c([N+](=O)[O-])c1 769822802 MIUVHHOVHVWIAJ-UHFFFAOYSA-N 253.277 3.712 30 20 CHED COc1cccc(C(=O)/C=C\c2sccc2OC)c1 764432534 CZGJVKSFMPJMDJ-SREVYHEPSA-N 274.341 3.661 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C[C@H]2C[C@H]3CC[C@H]2C3)o1 762428432 ZDNWCZFXOBASRB-RWMBFGLXSA-N 286.379 3.579 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(Cl)cc1O 768376728 ZGXQQESQCDJEAJ-UHFFFAOYSA-N 295.766 3.922 30 20 CHED C[C@H]1CC(=NNc2ncnc3sccc23)CC[C@H]1C 767359117 FMPIITIIIHRINK-ZJUUUORDSA-N 274.393 3.915 30 20 CHED COc1ccc([C@H](C)OC(=O)c2cc(C#N)cs2)cc1 764422986 ATADWFBYBCTVRT-JTQLQIEISA-N 287.340 3.546 30 20 CHED Cc1cc(OC(=O)[C@H](c2ccccc2)C2CC2)ccc1C#N 765093511 KWKHPDSGOJOMBJ-GOSISDBHSA-N 291.350 3.966 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C=C(CCC)CCC 767151979 GZHNMELFSRVMFS-UHFFFAOYSA-N 289.341 3.927 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccsc1 769145638 LAXGXUDTEXESGB-UHFFFAOYSA-N 259.349 3.523 30 20 CHED C=CCCCOC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 766388274 LYPASSYRROTVGJ-KCNJBTMXSA-N 266.356 3.804 30 20 CHED C#C[C@H](C)N(C)C(=O)C1(c2ccc(F)cc2)CCCCC1 767263329 JGOXEXMVPPJKOT-AWEZNQCLSA-N 287.378 3.508 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1sccc1OC)C2 764443170 UIBFNADJOXABDS-DHZHZOJOSA-N 286.352 3.588 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cccc(C(=O)O)c1 764642550 YHEPIUUMVLEPIC-UHFFFAOYSA-N 288.734 3.874 30 20 CHED Cc1cc(NN=C2C[C@H](C)c3c(C)cccc32)nc(C)n1 766694558 DIQMYYUOGXHIAT-NSHDSACASA-N 280.375 3.725 30 20 CHED Cc1cc(F)ccc1C=NNc1ccc(F)c([N+](=O)[O-])c1 769822631 KUBPZTNOUZFAJI-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C#C[C@@H](C)N(C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 769961153 PBRYFILSVLIPNG-CYBMUJFWSA-N 299.805 3.559 30 20 CHED CC(=O)[C@@](C#N)(CCN1CC(C)(C)C[C@@H]1C)c1ccccc1 878712527 YYCOEHCBSDHFQA-KXBFYZLASA-N 298.430 3.547 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@@H](C2CC2)C1 773077630 HQIXWODROGEPHH-CYBMUJFWSA-N 272.396 3.968 30 20 CHED C[C@H](Cc1ccccc1)n1cccc1C(=O)OCCCC#N 773712797 NQTULHNJXOWANC-OAHLLOKOSA-N 296.370 3.752 30 20 CHED O=C(O)c1ccc(NN=CCCCC2CC2)cc1F 872379865 OLXODCCMQJXYJS-UHFFFAOYSA-N 264.300 3.502 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C/c1cccs1 778982337 KQKFFLXXNRSMDV-BQYQJAHWSA-N 287.384 3.612 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCC(CO)CC1 775544936 LXRLWWWMIHDFKH-MRXNPFEDSA-N 297.483 3.994 30 20 CHED Cc1ccc(F)cc1C=NNc1c(F)cccc1F 777888604 PSYGKDOGYSABQL-UHFFFAOYSA-N 264.250 3.858 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1cncc(Cl)n1 773190008 LYVDMQIERWWPMR-MNOVXSKESA-N 264.760 3.520 30 20 CHED C#CC[C@H](NC(=O)N[C@@H]1CC12CCCCC2)c1ccccc1 770790730 FYFMNMZCEGDNNQ-DLBZAZTESA-N 296.414 3.773 30 20 CHED C=CCN(C(=O)N[C@@H](C)Cc1ccccc1Cl)C1CC1 772441016 FFZDUWRVIUAOMJ-LBPRGKRZSA-N 292.810 3.631 30 20 CHED C#CCCCCCC(=O)Nc1cccc(NC(=O)C2CC2)c1 779793664 WLKQCBOFTRWYKE-UHFFFAOYSA-N 298.386 3.557 30 20 CHED C#CCCCCCC(=O)Oc1ccc(CC=C)cc1OC 779739845 HOPVWCZXHZHGFL-UHFFFAOYSA-N 286.371 3.913 30 20 CHED Cc1noc(C)c1/C=C1/CCc2ccc(F)cc2C1=O 776191571 DRSNXMIVQSUQRY-GHXNOFRVSA-N 271.291 3.643 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)C1(C#N)CCCC1 1129734012 NEBBIOSLNJASMQ-HUUCEWRRSA-N 276.424 3.793 30 20 CHED COc1cc(C=NNc2cccc3cnccc23)ccc1C 773055829 RSBSPFMEALBBCQ-UHFFFAOYSA-N 291.354 3.998 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccccc1OC1CCCC1 775518517 FTBMAJRAQYGITI-UHFFFAOYSA-N 286.375 3.541 30 20 CHED Cc1nc(C2CCN(CCCC(C)(C)C#N)CC2)[nH]c1C 886666143 NQYSTDNNRKLXNB-UHFFFAOYSA-N 288.439 3.536 30 20 CHED C=CCCOC(=O)CCCSc1ccc(OC)cc1 781432828 CZCMYOIRFUPHNP-UHFFFAOYSA-N 280.389 3.687 30 20 CHED C=C(CC)C(=O)Nc1cccc(Cl)c1OCC(F)F 1123879555 FYVPFOPYUXAQNE-UHFFFAOYSA-N 289.709 3.889 30 20 CHED N#Cc1ccc(NN=C[C@H]2CCSC2)cc1C(F)(F)F 782221401 PLOBTFGXIGVEHX-SECBINFHSA-N 299.321 3.728 30 20 CHED C#CCC1(C(=O)Nc2cccc(C(C)=O)c2)CCCCC1 788141429 HHZWNWMDNDZROS-UHFFFAOYSA-N 283.371 3.802 30 20 CHED N#CCCN(Cc1ccc(Cl)cc1)Cc1cccnc1 78662468 CJFIIEFPSRSYCC-UHFFFAOYSA-N 285.778 3.651 30 20 CHED CC(C)(C)CCNN=Cc1ccc2ccccc2n1 782907662 MNYMMVYVPWMLED-UHFFFAOYSA-N 255.365 3.595 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1ccccc1F 899335672 HQCAEOGLLKEMGD-HJWRWDBZSA-N 270.307 3.643 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cn1)c1ccsc1 785567868 HJCCBRYRFPCLBO-OAHLLOKOSA-N 271.389 3.646 30 20 CHED Cc1cccc([C@@H](C)OC(=O)C2(C#N)CC(C)C2)c1 784203622 VICDSBAKRUHQJJ-MFOWVQHXSA-N 257.333 3.539 30 20 CHED C=C1CC(c2noc(COc3ccc(C)cc3C)n2)C1 896890446 QVLHUMIUJHRLTR-UHFFFAOYSA-N 270.332 3.699 30 20 CHED CC(=NNC1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 786042894 CIXFYJSYTDXDMQ-UHFFFAOYSA-N 295.770 3.895 30 20 CHED CCC(=O)c1ccc(C(=O)OCC2(C#N)CCCCC2)cc1 783431881 RXWGDOVYNWVNPI-UHFFFAOYSA-N 299.370 3.910 30 20 CHED CC(C)(C)c1ccc(COC(=O)c2cccc(C#N)c2)cn1 797308990 XDATYNKSSXUQRM-UHFFFAOYSA-N 294.354 3.608 30 20 CHED CCCCCC[C@H]1CCCC1=NNCC(C)(C)CO 799115624 ILJWSKIDPRKLPS-AWEZNQCLSA-N 268.445 3.721 30 20 CHED CC(=NNc1ccc(C)cc1)c1cccc(N2CCC2=O)c1 794854696 KVZRLXVGDGENGW-UHFFFAOYSA-N 293.370 3.568 30 20 CHED C#C[C@@H](C)N(C)Cc1cnc(-c2ccc(Cl)cc2)s1 793586205 HAXPHZRGHMFUCO-LLVKDONJSA-N 290.819 3.917 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1csc(C(C)C)n1 189939152 SUXBQAIRNWDESW-UHFFFAOYSA-N 293.436 3.811 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Oc1ccc(C#N)c(OC)c1 797004861 GGMOHBRCKOTMBK-IUODEOHRSA-N 287.359 3.689 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](CC(C)C)c1ccccc1 791741700 QTMUWODIVPESEN-IAGOWNOFSA-N 271.404 3.734 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(F)c(C#N)c2)cc1C 790297515 SWFVDDKLVLGXAZ-UHFFFAOYSA-N 282.318 3.591 30 20 CHED CSc1cccc(F)c1C/N=C\c1ccccc1O 794681256 RRJMMGSKTRBASZ-MFOYZWKCSA-N 275.348 3.872 30 20 CHED CC[C@@H](C)CON=Cc1cnc(C(C)(C)C)s1 793143842 AIHNAONMYYKEBC-SNVBAGLBSA-N 254.399 3.837 30 20 CHED CC[C@H](C)[C@H](C(=O)N(C)[C@@H](C)CC#N)c1ccccc1 63094025 IHDSVOAJHPNREU-DZKIICNBSA-N 272.392 3.577 30 20 CHED Cn1ccnc1NN=C1CCC[C@@H](C(C)(C)C)CC1 790303444 UGCFVYMMEKBVDS-GFCCVEGCSA-N 262.401 3.814 30 20 CHED Clc1cccc(CC=NNc2nncc3ccccc23)c1 794859770 IAXSQOFKFVDSGH-UHFFFAOYSA-N 296.761 3.924 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NNc1ncccc1F 794990469 NRZWVOJHXPFLJX-UHFFFAOYSA-N 297.337 3.518 30 20 CHED CCc1cccc2c1OC/C(=C\c1ccc(O)cc1)C2=O 794727785 JSPSLHIIWOVZQF-GXDHUFHOSA-N 280.323 3.613 30 20 CHED C[C@H](NN=Cc1cnc(-c2ccco2)s1)C(C)(C)C 793114036 IZJSNJQXKGKZPW-JTQLQIEISA-N 277.393 3.761 30 20 CHED C/C(=C/Cl)CSc1ccc([N+](=O)[O-])cc1C#N 797830266 ULKGMCFCFHYUNW-YVMONPNESA-N 268.725 3.701 30 20 CHED Fc1ccc(/C=C\C=NNCCC(F)(F)F)cc1F 794935281 HPBHBNHYRCIFCG-PGAOEHQISA-N 278.224 3.506 30 20 CHED C[C@@H]1CC(=NNc2cncnc2)C[C@H](c2ccccc2)C1 794976802 QLVTYWXLWKBBFC-DZGCQCFKSA-N 280.375 3.848 30 20 CHED CCCCCCCCCN(C)Cc1nnc2ccccn12 792235703 PKWFOPPIFCJRHF-UHFFFAOYSA-N 288.439 3.912 30 20 CHED Cc1cc(NC(=O)CC#N)ccc1-c1ccccc1 792834126 CMHVRUUEMZQMDI-UHFFFAOYSA-N 250.301 3.514 30 20 CHED O=C1/C(=C\c2ccccc2)CCc2ccc(O)cc21 794960466 SLNYKAPMWIHGRD-UVTDQMKNSA-N 250.297 3.605 30 20 CHED C=CCCCOC(=O)CCSc1ccc(C)cc1 735523322 JCZKMFBPDXVLJI-UHFFFAOYSA-N 264.390 3.987 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc2ccsc12 767095538 AIJOELXRYOLHOV-UHFFFAOYSA-N 257.358 3.889 30 20 CHED N#Cc1cccc(-c2csc(N3CCCCC3)n2)c1 91960284 NGQFMKIYKOSASX-UHFFFAOYSA-N 269.373 3.672 30 20 CHED COc1c(C)ccc(NCc2cc(C#N)cs2)c1C 93686888 DXUHVHPCXJNHFA-UHFFFAOYSA-N 272.373 3.857 30 20 CHED N#Cc1ncccc1SCc1cc(F)ccc1F 1307343325 DMVIJAGGVVGGQB-UHFFFAOYSA-N 262.284 3.524 30 20 CHED Cc1cc(S[C@@H](C)C(=O)Nc2ccccc2)ccc1C#N 1307361578 MGMKWXCAHDUBHF-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED CCSc1ccccc1CN(C[C@H](C)C#N)C1CC1 1307644764 RXMRGEFZBZRJNE-CYBMUJFWSA-N 274.433 3.923 30 20 CHED CS[C@@H]1CC[C@H](N(C)CC#Cc2ccc(Cl)cc2)C1 1318960397 MTFNLERTMKLWQT-JKSUJKDBSA-N 293.863 3.907 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@H]1Nc1ccc(OCC#N)cc1 1328094540 BZVJVDAATVYTPE-OWCLPIDISA-N 270.376 3.826 30 20 CHED C=C(Cl)COC(=O)C(F)(F)c1ccc(Cl)cc1 1321916184 HZVPJRYYWADIFK-UHFFFAOYSA-N 281.085 3.728 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)CC#Cc2ccccc2)CC1 1323877358 YIZRTOYOJPGWMH-GOSISDBHSA-N 283.415 3.713 30 20 CHED CCCOc1ccc(/C=C/c2cc(C#N)ccn2)cc1OC 1321003939 PFLQSLHSQIBWFF-GQCTYLIASA-N 294.354 3.921 30 20 CHED CC[C@@H](Cc1nnc(COc2ccccc2C#N)o1)C(C)C 1322342132 YOLZYBHRELKJOE-ZDUSSCGKSA-N 299.374 3.745 30 20 CHED Cc1nc(C#N)cc(S[C@@H](C)c2ccc(F)cc2)n1 1185098979 VCOWLTVZTKMHKV-VIFPVBQESA-N 273.336 3.649 30 20 CHED CC(C)Oc1cccc(/C=C\c2cc(C#N)ccn2)c1 1321003343 DQYKLTMLTXEHNF-SREVYHEPSA-N 264.328 3.911 30 20 CHED Cc1cccc2cc(C(=O)N[C@@H](C#N)C3CCCC3)oc12 1338214957 GNTGXTZZYQJYSZ-AWEZNQCLSA-N 282.343 3.553 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 1331287453 FSDBLAKQRLAYFE-LBPRGKRZSA-N 272.348 3.518 30 20 CHED N#C[C@@H](NC(=O)CCc1ccc(Cl)s1)C1CCCC1 1332255951 XSMXWZBKYVFPSA-GFCCVEGCSA-N 296.823 3.533 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@]1(C)CC1(Cl)Cl 1339153167 NNGOBDDWFSTNRK-DGCLKSJQSA-N 290.234 3.918 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OCC(F)F)cc2)CC1 1333005728 MAGFRVVPQYJQQN-UHFFFAOYSA-N 296.317 3.514 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CCOC(C)(C)C2)C(C)C)c1 1262733707 AWLKJZHZKPDXMP-MRXNPFEDSA-N 299.414 3.615 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnc2cc(O)ccc2c1 1348559267 UFOVDBBTSAEDRF-HNNXBMFYSA-N 296.370 3.511 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)c1cscn1)c1cccs1 1346401105 MJXDUHSUZCSFGA-BXKDBHETSA-N 292.385 3.652 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccsc2C(F)F)C1 1347635009 JMLHBXSNPPPIOI-SFYZADRCSA-N 271.288 3.535 30 20 CHED COc1ccncc1CSCc1cccc(C#N)c1F 1342904063 NMZXYJWLILONPK-UHFFFAOYSA-N 288.347 3.534 30 20 CHED C=C(C)CCC(=O)Nc1cnn(-c2ccc(C)cc2)c1C 1353724838 DKDNVNBWZPLZTD-UHFFFAOYSA-N 283.375 3.784 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c2c1CCC2 1275465022 RGZHRHCVYYJJDK-KBPBESRZSA-N 283.371 3.723 30 20 CHED C=C(C)CCC(=O)N1CCCn2c(cc3ccccc32)C1 1358239767 IJCKKHROJBGNOV-UHFFFAOYSA-N 282.387 3.730 30 20 CHED C=CCSCCN[C@@H](CC)c1ccc(OC)c(OC)c1 221943668 BBNXSXRURKENEA-AWEZNQCLSA-N 295.448 3.664 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)cc1C#N 1457376253 OCRRHJJVZGSSGM-CZUORRHYSA-N 284.403 3.811 30 20 CHED COc1cc(NC(=O)c2ccc(C#N)cc2F)c(C)cc1C 1524463891 MZSKNIGWACIUNB-UHFFFAOYSA-N 298.317 3.575 30 20 CHED CC(C)c1ccc(C(=O)Nc2cccc(C#N)n2)cc1Cl 1529720587 GBLWYIBZTXQKQU-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1C 1527387616 LEAOZEYTAHYEGW-ZBFHGGJFSA-N 284.403 3.813 30 20 CHED CC(C)(CNC(=O)Nc1sccc1C#N)C1CCCC1 1466996408 KXEBQBJQFBOVKR-UHFFFAOYSA-N 291.420 3.958 30 20 CHED C=C1CCC(CNCc2c(C(=O)O)[nH]c3ccccc23)CC1 1602792086 MJDGBDICCBWCPS-UHFFFAOYSA-N 298.386 3.702 30 20 CHED Cc1cccc(C)c1CN(CCO[C@@H](C)C#N)CC(C)C 1460278267 NGBGLXDMTFPSBH-KRWDZBQOSA-N 288.435 3.690 30 20 CHED CC1(C)CCC[C@@H](CNc2n[nH]c(C3CC3)c2C#N)C1 1461571282 LKAXOCNCXGLLSD-LLVKDONJSA-N 272.396 3.787 30 20 CHED CC(C)(C#N)CCSc1ccc2c(c1)OCCCO2 115895705 OXGYZFGTBCDHFM-UHFFFAOYSA-N 277.389 3.880 30 20 CHED CC(C)c1ccc2c(c1)[C@H](N=c1cc[nH]cc1C#N)CCC2 1559157811 XHYUSOQNGJFPMJ-LJQANCHMSA-N 291.398 3.988 30 20 CHED CCC1CCC(CNc2cc(C)c(C#N)cn2)CC1 1639323774 TVPHECVENMXZDE-UHFFFAOYSA-N 257.381 3.890 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 122231339 UOHTXKWHQDRCEM-JTQLQIEISA-N 270.298 3.906 30 20 CHED C[C@H](NCc1cc(C#N)ccn1)c1ccc(F)cc1Cl 1643205638 PLUVZFXQBXNSCE-JTQLQIEISA-N 289.741 3.597 30 20 CHED CCCC[C@H](ON=C(C)C)C(=O)Oc1ccc(NC)cc1 1577418796 DHRTXRMZFDWXLN-HNNXBMFYSA-N 292.379 3.605 30 20 CHED C=CC[C@@H]1CC[C@@H](Nc2cc(C)cc(C(=O)O)c2)C1 1588771001 LEIJYCAPSNMCEL-TZMCWYRMSA-N 259.349 3.850 30 20 CHED Cc1cc(C)cc(C2CCN(CC3(C#N)CC3)CC2)c1 1655016823 FOFGZTXREOUSKI-UHFFFAOYSA-N 268.404 3.787 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 1586124562 LFITXVGYDKJDGN-QJPTWQEYSA-N 290.329 3.506 30 20 CHED CC(C)c1ccoc1C(=O)Nc1cc(F)cc(C#N)c1 1588159265 JLSPIGUWNZLVCE-UHFFFAOYSA-N 272.279 3.666 30 20 CHED COc1cc(C#N)ccc1CN(C)c1ccc(C)cc1F 1654732707 DMMIBPDNOVDLDI-UHFFFAOYSA-N 284.334 3.651 30 20 CHED CC1(C)CN(CCc2ccc(C#N)cc2)c2ccccc21 1659675479 QAYNRMZAZOFGSU-UHFFFAOYSA-N 276.383 3.899 30 20 CHED CC(C)CC1CCN(CCOc2cccc(C#N)c2)CC1 1652677135 PRRFSBNJCUYINZ-UHFFFAOYSA-N 286.419 3.695 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC/C=C/c1cccc(F)c1 1656187084 YNHKJPBHBKNRJV-NLJSWGTCSA-N 292.357 3.988 30 20 CHED CCn1cc(Nc2c(C#N)cnc3c(Cl)cccc23)cn1 1650646474 VYICZOZNFMNYNE-UHFFFAOYSA-N 297.749 3.720 30 20 CHED CC(C)OC1(CNCc2cc(C#N)cs2)CCCCC1 1657408386 GNEDVOAKEPPZQB-UHFFFAOYSA-N 292.448 3.837 30 20 CHED CCCCCCCN1CCCc2c(-c3nn[nH]n3)cccc21 1590592223 IUBDPZNHFHVJJN-UHFFFAOYSA-N 299.422 3.590 30 20 CHED N#Cc1ccc(CNC[C@H]2CSc3ccccc32)c(F)c1 1662515937 KKNWSVCGZAFGLH-AWEZNQCLSA-N 298.386 3.676 30 20 CHED CCc1cccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)c1 1776974740 DRVOLHSHZXWBEV-FLIBITNWSA-N 294.350 3.772 30 20 CHED C=CCc1ccccc1/C=C(/CC(=O)O)c1ccc(C=O)o1 1776187691 HPGAXTPBBZPWCJ-GDNBJRDFSA-N 296.322 3.836 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)c1nc(C)c(C)s1 150760767 VUFYODQZHNURHD-UHFFFAOYSA-N 292.448 3.880 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCOC3(CCCCC3)C2)n1 161922759 GRROXNAANOJZMC-HNNXBMFYSA-N 285.391 3.556 30 20 CHED CC1CCN(c2nc(-c3cccc(C#N)c3)cs2)CC1 158361338 PRBDUBYMXPVREW-UHFFFAOYSA-N 283.400 3.918 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 205101421 KQTKKPPTIJXNOQ-POHAHGRESA-N 297.310 3.808 30 20 CHED C#Cc1cccc(N(C(=O)CCCCSC)C(C)C)c1 151526128 GGRQGMWKSNZYIO-UHFFFAOYSA-N 289.444 3.943 30 20 CHED C#CCCCCNC(=O)N(CC(C)C)C(CC)CC 155072414 DYPUAWJLAJOWLM-UHFFFAOYSA-N 266.429 3.646 30 20 CHED C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)NC(C)(C)C 154180571 KCYVMAAOPGCUPC-VIFPVBQESA-N 296.823 3.607 30 20 CHED C=C(C)CN(CC)Cc1cccc(OC)c1OC(F)F 159001988 AOFHAWYPXBGEJM-UHFFFAOYSA-N 285.334 3.695 30 20 CHED COc1ccc(CN(C)CCCCC(C)(C)C#N)cc1 234842955 IGOGOAPZGVYIOP-UHFFFAOYSA-N 274.408 3.847 30 20 CHED C[C@H](NCCSC(C)(C)C)c1cccc(C#N)c1 271818891 BYFTWKBJDSASLR-LBPRGKRZSA-N 262.422 3.741 30 20 CHED CC(C)(C)c1ccc(CNc2ccc(C#N)nc2)cc1 301505830 IRZLOVRLEXHJPN-UHFFFAOYSA-N 265.360 3.863 30 20 CHED CC(C)(C)ON=Cc1cscc1Br 308134406 DFYICVABKXCJLD-UHFFFAOYSA-N 262.172 3.660 30 20 CHED CC(C)(CNCc1cccc(C#N)c1)C1=CCCC1 308759781 VHNJTRYEIUBJRO-UHFFFAOYSA-N 254.377 3.784 30 20 CHED Cc1cc(Nc2ncc(C#N)cc2Cl)ccc1F 513650666 PVIUMFWFQZPDMD-UHFFFAOYSA-N 261.687 3.798 30 20 CHED CCC[C@@H](Nc1ccc(OCC#N)cc1)C1CCC1 322469925 ODTAZXBEJNCXPD-MRXNPFEDSA-N 258.365 3.970 30 20 CHED CCCc1sc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1CC 331096130 LSXJTIGLSHEZDU-OLZOCXBDSA-N 290.432 3.685 30 20 CHED CC1(C)CCCCN(Cc2cc(C#N)ccc2F)C1 446061131 KQEYVOOTCWFUCI-UHFFFAOYSA-N 260.356 3.709 30 20 CHED N#Cc1ccnc(N2CCC(C3CCCCC3)CC2)c1 708861401 RYTCYMSVEDBHPD-UHFFFAOYSA-N 269.392 3.750 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cc(OC)ccc1O 389274935 IVNMMLNIRXONQO-LBPRGKRZSA-N 263.381 3.654 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(C#N)cc1 695813624 VFYAPXNWXSYETG-STQMWFEESA-N 255.365 3.537 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 610511628 TYJGHOICDGVGHK-GWCFXTLKSA-N 286.297 3.610 30 20 CHED N#Cc1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1 426167 HIKAGBRTCZUEPS-UHFFFAOYSA-N 295.729 3.852 30 20 CHED C[C@@H](C#N)OC(=O)c1sc2ccccc2c1Cl 3448056 MACSZPRDMVIEPH-ZETCQYMHSA-N 265.721 3.624 30 20 CHED Cc1nc(NC[C@@H]2CCC[C@@H]2C)c(Cl)cc1C#N 310999996 MYYYDPOMZYAKCP-ONGXEEELSA-N 263.772 3.763 30 20 CHED Cc1nc(C)c([C@H](C)N(C)Cc2ccccc2C#N)s1 171588939 DFURTFGXCDEPME-LBPRGKRZSA-N 285.416 3.825 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(C(C)=O)cs2)c1 106650910 MXZHCYCHDGQWIH-UHFFFAOYSA-N 297.379 3.599 30 20 CHED CC(C)(C)c1csc(CCNCc2cccc(C#N)c2)n1 105497927 MXKZDFMYTABMRJ-UHFFFAOYSA-N 299.443 3.645 30 20 CHED CC[C@H](C)[C@@H](C)Nc1ncc(Br)cc1C#N 309259029 CWTIQBUKKMINGR-DTWKUNHWSA-N 282.185 3.562 30 20 CHED N#Cc1ccc(Cc2nc(-c3cccc(Cl)c3)no2)cc1 171783247 QCVUURIBAQJVSM-UHFFFAOYSA-N 295.729 3.852 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 175739153 VOFCUEUORCHKKZ-CYBMUJFWSA-N 284.359 3.875 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 103031824 WIIXQYRHNRQVQG-MSOLQXFVSA-N 293.341 3.574 30 20 CHED C=C(C)CSCC(=O)N[C@H](c1ccccc1)C(C)C 177863808 CSJDEYGANMAYQY-INIZCTEOSA-N 277.433 3.809 30 20 CHED CCCn1ccc2ccc(NC(=O)c3cc(C#N)c[nH]3)cc21 175774215 LOHTZZGSHPHHJB-UHFFFAOYSA-N 292.342 3.503 30 20 CHED C[C@H](CC(=O)N(C)Cc1cccc(C#N)c1)CC(C)(C)C 58003401 SXWPFIQKRGLKEK-CQSZACIVSA-N 286.419 3.979 30 20 CHED Cc1nccn1Cc1ccc(-c2ccccc2C#N)cc1 117291737 GRJHFPYIFXJZQH-UHFFFAOYSA-N 273.339 3.779 30 20 CHED C=CCOc1ccc(CNCc2ccc(C)c(OC)c2)cc1 65977150 DXXLCWJPQKNPQU-UHFFFAOYSA-N 297.398 3.858 30 20 CHED N#Cc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1F 248895781 UAEOLIYRNUDHRO-HZPDHXFCSA-N 290.407 3.557 30 20 CHED CC[C@@H]1CN(c2ncccc2C#N)CC[C@H]1c1ccccc1 301424938 GXBPHFJTCOFBTH-CRAIPNDOSA-N 291.398 3.973 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCCCCC 65987734 XEHNMDJSTIGSRS-UHFFFAOYSA-N 274.408 3.617 30 20 CHED N#CC1(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CCCCC1 177964328 PPFCTUXZHVAHAU-UHFFFAOYSA-N 296.370 3.618 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1NCc1cccnc1 301349154 LWXTXOCGFDGTGG-UHFFFAOYSA-N 294.745 3.767 30 20 CHED Cc1ccc2cc(C(=O)Nc3cccc(C#N)c3C)[nH]c2c1 178642255 XWCVAFLLOXODNP-UHFFFAOYSA-N 289.338 3.909 30 20 CHED Cc1ccc([C@H]2CCCCN2c2cccc(C#N)n2)cc1 301860198 SXKRNXHRWRHPEQ-QGZVFWFLSA-N 277.371 3.993 30 20 CHED Cc1cc(OS(=O)(=O)CCCCC#N)ccc1C(C)C 68868942 FPHVYCHRHISBNR-UHFFFAOYSA-N 295.404 3.521 30 20 CHED Cc1ccc(CCNC(=O)Nc2cc(C#N)ccc2C)cc1 116493942 FIHIVRSYZKFQQX-UHFFFAOYSA-N 293.370 3.539 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(-c2cccc(Cl)c2)on1 116856089 KSAJDNFXGPFYCL-SNVBAGLBSA-N 290.750 3.689 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CC1CC1 112723016 DRHBVMDDWNDRHM-CQSZACIVSA-N 299.418 3.668 30 20 CHED C=CCn1c(S[C@H](C#N)CC)nc2ccccc21 127034013 QPBQLKASEUWEQX-NSHDSACASA-N 257.362 3.617 30 20 CHED C=C(C)CSc1nnc(CCCc2ccccc2)o1 172972827 IGTKZQDZAVRPNS-UHFFFAOYSA-N 274.389 3.913 30 20 CHED C[C@H](C(=O)N(C)C1(C#N)CCC1)c1ccc2ccccc2c1 177616144 KVCMAQDIJKPHSN-AWEZNQCLSA-N 292.382 3.848 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 69311628 QUPOGJSBVCYJOW-LLVKDONJSA-N 267.756 3.568 30 20 CHED N#Cc1cccnc1NCCCCCc1ccccc1 301176201 WVFMBUDAWQWQFG-UHFFFAOYSA-N 265.360 3.778 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 122884983 PPSSOYWTPZGCTR-IAGOWNOFSA-N 299.418 3.668 30 20 CHED Cc1cc2occ(C(=O)NC3(C#N)CCCC3)c2cc1C 184844505 LOFHAGXBAPIWNP-UHFFFAOYSA-N 282.343 3.616 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H](C)c1ccccc1F 120659701 ZFSQLXAZUGVSQR-CYBMUJFWSA-N 298.361 3.899 30 20 CHED CCc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 186003149 GUQVEPPYBXJYNG-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ccsc1 182617210 MHWKPBUSCRZIFP-GFCCVEGCSA-N 251.395 3.542 30 20 CHED CC(C)c1ccc(C(=O)N(C)C2(C#N)CCC2)cc1Cl 188051319 BVDNQAIVKMHZFE-UHFFFAOYSA-N 290.794 3.982 30 20 CHED C#Cc1cccc(NC(=O)c2scc(C)c2Cl)c1 235967127 CIOYXBZWRIYTRH-UHFFFAOYSA-N 275.760 3.944 30 20 CHED CSc1cccc(C)c1NC(=O)c1ccc(C#N)c(C)n1 184609815 ODNSTUWYXCTZBD-UHFFFAOYSA-N 297.383 3.544 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)[C@@H](C)C2 180083179 MOHWBLYWOPNZNZ-LIRRHRJNSA-N 276.383 3.890 30 20 CHED CC(C)(C#N)COC(=O)c1cc2cc(F)ccc2s1 180175971 ITDSBPWJXICESV-UHFFFAOYSA-N 277.320 3.747 30 20 CHED N#Cc1c(F)cccc1NCc1ccccc1OC(F)F 35149794 BXWLRIGQZHIMPT-UHFFFAOYSA-N 292.260 3.911 30 20 CHED N#C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccccc1Cl 188917063 WQQSXJOSTVICJV-DOMZBBRYSA-N 288.778 3.767 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H](C)c1ccccc1 185851459 YVLSJZDNWADSRB-WBTNSWJXSA-N 256.393 3.851 30 20 CHED N#Cc1ccc(CC(=O)N[C@H]2CCCCC23CCCC3)cc1 319709323 UAXIMPFHAJOBLU-KRWDZBQOSA-N 296.414 3.720 30 20 CHED C=CCC[C@H](NC[C@@H](C)c1nc(C)cs1)C1CC1 186574409 IUPZKVCCZRWMAS-RISCZKNCSA-N 264.438 3.889 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1ccc(-n2cccn2)cc1 180821633 NOTRNTQFIKXSRK-OAHLLOKOSA-N 296.418 3.853 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2Cc2ccccc2)cc1 507157783 ZQEFDJNEKSEJRH-GOSISDBHSA-N 262.356 3.770 30 20 CHED COC[C@H](CC(C)C)N[C@@H]1CCCc2cc(C#N)ccc21 417365825 MSWUDHQTENZLPC-FUHWJXTLSA-N 286.419 3.586 30 20 CHED Cc1cc(Cl)ccc1C(=O)N(C)Cc1ccc(C#N)cc1 124682540 AUBBRZBIDPRNNY-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C=CCCCNc1cc(Cl)c(OC)cc1OC 71275351 JEWZOTMLKDFARH-UHFFFAOYSA-N 255.745 3.735 30 20 CHED O=C(NCC#Cc1ccccc1)Nc1ccc(Cl)cc1 73437627 UXTIMFKWUMUBOD-UHFFFAOYSA-N 284.746 3.513 30 20 CHED Cc1ccnc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1 184175842 UQMZGPZROUAEQI-OAHLLOKOSA-N 294.358 3.557 30 20 CHED C=C(C)[C@H](NCC[C@@H]1CCCN1C)c1ccc(F)c(F)c1 187773688 UBGVSQNANALHOA-YOEHRIQHSA-N 294.389 3.656 30 20 CHED Cc1cccc(NC(=O)c2cccc(F)c2C#N)c1C 189374686 QLNFUYHCKNEKLP-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N(CC)c1ccc(C#N)cc1 410520850 AVZRFEROJHWFLK-LBPRGKRZSA-N 298.308 3.890 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 508249888 SRRFUYVKRLGTGK-ZBFHGGJFSA-N 285.391 3.895 30 20 CHED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 185813481 WQCPGUHCKLOJEI-CZUORRHYSA-N 274.383 3.775 30 20 CHED C#CCSCCN[C@H](C)c1ccc(SC)c(F)c1 181096942 VGHQGZRZAFSLHY-LLVKDONJSA-N 283.437 3.565 30 20 CHED C=CCOCCCOc1ccnc2c(Cl)cccc12 506711821 VDJUCVNWIAIJIU-UHFFFAOYSA-N 277.751 3.860 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 181644844 VYZQLSPTCOLYNO-CYBMUJFWSA-N 276.380 3.904 30 20 CHED CCc1nnc(-c2cccc(N[C@@H]3CCC[C@@H](C#N)C3)c2)o1 185749340 XEVGBUOJGKAZKQ-TZMCWYRMSA-N 296.374 3.793 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1csc2c1CC[C@@H](C)C2 410830247 ULDMYSVQBIHBST-VXGBXAGGSA-N 290.432 3.637 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc2c(s1)CCCCCC2 522960912 FSQXYTUFYRZKHO-ZDUSSCGKSA-N 290.432 3.829 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412379895 HFRQKPLNDFEXRI-NRSFXHEJSA-N 296.414 3.604 30 20 CHED CC(C)(C#N)C(=O)OCc1ccc(SC(F)F)cc1 193992885 FWLBYMZGBUYTIT-UHFFFAOYSA-N 285.315 3.594 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)c(Cl)cc1OC 191280237 SYPRZCGCVJJQGA-UHFFFAOYSA-N 289.162 3.652 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H]1CCC(C)(C)C1 514224192 ZBFYTFBVNCPNDR-AWEZNQCLSA-N 287.403 3.694 30 20 CHED CCc1ccsc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 48913409 YKFJVIDDRHUMSR-NSHDSACASA-N 284.384 3.673 30 20 CHED CCc1ccc([C@H](C)CC(=O)O[C@H](C#N)CC)cc1 84711198 SGWXUHKYARNBSS-DOMZBBRYSA-N 259.349 3.588 30 20 CHED COCc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 425365091 IRYYGBMOLDJVQF-HNNXBMFYSA-N 294.398 3.898 30 20 CHED C#CCCOc1ccc(Cl)cc1Br 82494140 LCONZVGVYYTUEW-UHFFFAOYSA-N 259.530 3.505 30 20 CHED CC(C)(C)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 424204269 VEZWNOPZYKNURJ-GOEBONIOSA-N 256.393 3.766 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(NC(C)=O)c1 424627895 WOENEJVVHFXBAO-UHFFFAOYSA-N 294.782 3.839 30 20 CHED Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1F 264198061 DCOGDZBMZBMZIA-UHFFFAOYSA-N 276.355 3.536 30 20 CHED C#CCCCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 192383177 QYOGMVNGIPIUIZ-LJQANCHMSA-N 295.357 3.835 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCCC(F)(F)F)n1 613425741 DYXSINCACFVKCG-UHFFFAOYSA-N 271.286 3.615 30 20 CHED O/C(=N/[C@@H]1C=CCCC1)c1coc(C2CCCC2)n1 328708857 FTHDGOKQQSJCNI-GFCCVEGCSA-N 260.337 3.746 30 20 CHED COc1cccc([C@@H]2CCCN2CCCCC#N)c1 160958732 QRQNKDKGYLMPLH-INIZCTEOSA-N 258.365 3.526 30 20 CHED COc1ccccc1C1(CN[C@H]2CCC[C@@H](C#N)C2)CCC1 193287711 AAGJFVYTUFKERA-CVEARBPZSA-N 298.430 3.789 30 20 CHED N#Cc1c(N=C(O)C[C@H]2CCOC2)sc2c1CCCC2 330198886 USDNDZQCHRPITN-SNVBAGLBSA-N 290.388 3.513 30 20 CHED Fc1ccc(C#CCNC2(C(F)F)CCCCC2)cc1 510079850 QDFNRBTUBWKVMW-UHFFFAOYSA-N 281.321 3.735 30 20 CHED Cc1cc([C@H](C#N)C(=O)c2cc(C(C)C)oc2C)nc(C)n1 330616117 UVHBPKXKVNHUBV-AWEZNQCLSA-N 297.358 3.608 30 20 CHED C=C(C)CNC(=O)c1ccccc1OCc1ccc(F)cc1 427960100 ZRZKNWNVIXAZLH-UHFFFAOYSA-N 299.345 3.711 30 20 CHED CC(C)N(C)c1ccc(/C=C/C(=O)c2ccccc2)cn1 191203448 ZDUJETDKKBOYDM-PKNBQFBNSA-N 280.371 3.822 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 336217819 SDTNGKFFWJPVFY-IAFLDTSXSA-N 298.430 3.969 30 20 CHED CSC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 429290157 RHZBWIWPDCFBGH-HNNXBMFYSA-N 293.863 3.767 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2CCC[C@H]2CC)c1C 331125141 NJNSJVYYSRNINB-WCQYABFASA-N 278.400 3.582 30 20 CHED COc1cc(/C=C/C(=O)c2ccsc2)cc(OC)c1 194615276 BVQZJVUKSXIBJS-ONEGZZNKSA-N 274.341 3.661 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc(-c2ccco2)s1 426568584 RLSUTEFJFOWNHY-LBPRGKRZSA-N 274.389 3.944 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)c1c(F)cncc1F 336380450 RWSFXXRDSDUTJF-MRVPVSSYSA-N 277.249 3.544 30 20 CHED C=CCC(C)(C)c1nc(Cc2cccc(OC)c2)no1 426414362 WRXBXQZRFUWHHI-UHFFFAOYSA-N 272.348 3.523 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Br)c(C)s1 424680052 TZEOUMYIBLHIPZ-SSDOTTSWSA-N 288.210 3.513 30 20 CHED CC(C)(C#N)CCCCN(CC(F)(F)F)C1CC1 232526561 LPADWHXCJKYESN-UHFFFAOYSA-N 262.319 3.733 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(O)=Nc1ccc(C)c([N+](=O)[O-])c1 330632705 REPYGWUSBJSQHO-YPMHNXCESA-N 291.351 3.712 30 20 CHED CC(C)(C)CC(C)(C)/N=C(/O)c1cc(O)cc([N+](=O)[O-])c1 331184717 IOBXTPAYWAXDMF-UHFFFAOYSA-N 294.351 3.820 30 20 CHED C=CC1CCN(c2nnc(C3CCC3)n2CC(=C)C)CC1 338804613 CNDPMUMEZWWCMD-UHFFFAOYSA-N 286.423 3.524 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccccc1F 97053763 IHUUTYHWWKNMDC-LBPRGKRZSA-N 281.396 3.731 30 20 CHED C#CCCCCN[C@H](C)c1ccc(N(C)CC)cc1 90399143 OAKPJAJKEZFGQK-OAHLLOKOSA-N 258.409 3.597 30 20 CHED CN(CC(C)(C)C#N)c1ncc(-c2ccccc2)s1 432135384 HWICQRLMXUDTCC-UHFFFAOYSA-N 271.389 3.796 30 20 CHED Cc1ccsc1CNc1nccc(C#N)c1Cl 235781726 ICUKSCUTWVYKBS-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C2CC(C(C)(C)C)C2)C1 332430601 IXHNJEWREUWMCK-WNZJFKNXSA-N 276.424 3.647 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 343044005 UFFAGQCYMDZKJL-ZBFHGGJFSA-N 281.334 3.841 30 20 CHED CC(C)(CCC#N)CN[C@H]1Cc2ccc(Cl)cc2C1 348222999 XGVCMZZPOIEJFJ-HNNXBMFYSA-N 276.811 3.727 30 20 CHED C=CCN(Cc1ccc(Cl)s1)CC1(C#N)CC1 343249173 LYQXYRDXVHZOJW-UHFFFAOYSA-N 266.797 3.693 30 20 CHED Cc1cccnc1SCc1ccc(F)cc1C#N 344579830 NUKRTHMMLVEEQS-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2cc(C)ccc2C1 432580084 MUDIPCRJBNAATH-UHFFFAOYSA-N 286.419 3.665 30 20 CHED C=C(C)CS(=O)(=O)N(CCCC)[C@@H](C)c1ccccc1 435431513 IYVCDOQIHCGKMI-HNNXBMFYSA-N 295.448 3.756 30 20 CHED COc1ccc(O)c(C=Nc2cccc(OC(F)F)c2)c1 255379120 KLCCCLYYLCLDIL-UHFFFAOYSA-N 293.269 3.753 30 20 CHED COCCOc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1 255061948 KATSGHHYKVEDNV-GHXNOFRVSA-N 296.366 3.916 30 20 CHED CCCOc1ccc(/C=C\c2ccc(C#N)cn2)cc1OC 254965161 FDGSCMFYQOEOOH-DAXSKMNVSA-N 294.354 3.921 30 20 CHED Cc1cc(NC(=O)CCCC#N)ccc1-c1ccncc1 341377521 NRRSUSFYMYSYMP-UHFFFAOYSA-N 279.343 3.689 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 343863920 JPYCXCIOXQJQDQ-HNNXBMFYSA-N 274.364 4.000 30 20 CHED C=CCn1cccc1-c1nc(Cc2ccc(C)s2)no1 347480393 DEMXUSUZPNYLKC-UHFFFAOYSA-N 285.372 3.685 30 20 CHED N#Cc1nn(CCCc2ccsc2)c2ccccc12 432490928 UKODGISDFGFJPM-UHFFFAOYSA-N 267.357 3.602 30 20 CHED C=CCN(C(=O)[C@@H](OC(C)(C)C)c1ccccc1)C1CC1 347895283 DRRCNJRLDHSMIG-INIZCTEOSA-N 287.403 3.720 30 20 CHED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccn(C)n1 349758634 NJHUPLKZZNTXHW-HZPDHXFCSA-N 282.391 3.506 30 20 CHED CC[C@H](c1ccccc1OC)N(C)c1ncccc1C#N 340962776 JDZPNBDRIFNJCE-OAHLLOKOSA-N 281.359 3.549 30 20 CHED N#CC1(CN[C@H](c2cccc(Cl)c2)c2ccccn2)CC1 343325871 NSUPTTNLFMAXSJ-MRXNPFEDSA-N 297.789 3.718 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)s1 255493824 GYJUMQPFGVLHHL-ALCCZGGFSA-N 262.305 3.797 30 20 CHED CCC1CCC(C(=O)NCC(C)(C)CCC#N)CC1 345877760 CNKBTZZYXFZSDL-UHFFFAOYSA-N 264.413 3.649 30 20 CHED CCCCCC(=O)N(CCC#N)CC(CC)CC 524711417 WLWKFCAFKAFYBE-UHFFFAOYSA-N 252.402 3.745 30 20 CHED C[C@@H]1CCC[C@H](CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)C1 447924821 XOAUIRBNNYMWJK-VSZNYVQBSA-N 290.451 3.740 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N[C@H](CCCC#N)c1ccccc1 352190470 DGFCJQYZPXTDNC-VNQPRFMTSA-N 270.376 3.584 30 20 CHED Cc1ccc2c(Cl)c(C(=O)N[C@H](C)CC#N)sc2c1 609170519 UVHKGTDNUUBQGW-SECBINFHSA-N 292.791 3.895 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(C)=O)cc2)CCCC1 449226120 LXTWMHYOTZJBBH-UHFFFAOYSA-N 271.360 3.964 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1cccc(OC(F)F)c1 602514505 KGAWDHVZFDOSLX-VXGBXAGGSA-N 282.334 3.878 30 20 CHED CCOCc1ccc(NCc2cccc(C#N)c2)cc1 355392717 VBFHVZBUHKJJRD-UHFFFAOYSA-N 266.344 3.707 30 20 CHED COc1cc2c(cc1OC)[C@H](Nc1cccc(C#N)c1)CC2 600850004 STYMKICGNBFDLM-MRXNPFEDSA-N 294.354 3.675 30 20 CHED CC1CCC(=CC(=O)Nc2cccc(OCC#N)c2)CC1 265135494 LVDPKIWAIPGKEQ-UHFFFAOYSA-N 284.359 3.664 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc(C(=O)NC)c1C 449040072 GDAFSAFXVMRFOA-CYBMUJFWSA-N 274.408 3.901 30 20 CHED COc1ccccc1S[C@H](C#N)Cc1ccccc1 604469215 LSJCDCBEWSDCKJ-AWEZNQCLSA-N 269.369 3.922 30 20 CHED C=CC[C@H](C(=O)Nc1scnc1C)c1ccccc1 355940864 BSWSLOAIKLYLST-ZDUSSCGKSA-N 272.373 3.750 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccs1 265456395 FJXKZXPHMZWDQK-GFCCVEGCSA-N 256.374 3.813 30 20 CHED C[C@@H](CN(C)Cc1cccc(C#N)c1F)c1ccccc1 539237311 BSJVZQDOKVQYEL-AWEZNQCLSA-N 282.362 3.933 30 20 CHED CC[C@@H](C)n1ncc(Nc2cc(C#N)ccc2[N+](=O)[O-])c1C 357654565 LAZGYASNUIKCNM-SNVBAGLBSA-N 299.334 3.686 30 20 CHED Cc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccn2)cc1 442878155 SMUUPAMMPWNWLI-IEZWGBDMSA-N 291.398 3.761 30 20 CHED C=CCC1(NCc2ccc(C(=O)O)cc2)CCCCC1 263428497 RJPRGQPMCDTGTE-UHFFFAOYSA-N 273.376 3.753 30 20 CHED N#CCN[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 537287837 BLIFLIBRCVITGO-MRXNPFEDSA-N 276.811 3.945 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3c(F)cccc3[nH]2)C1 617786965 DTSKJAMCUGHQFP-LBPRGKRZSA-N 286.350 3.735 30 20 CHED C[C@@H](c1nc2ccccc2o1)N1CCC[C@@](C)(C#N)C1 612162775 MKHQTAFMZCPBNP-LRDDRELGSA-N 269.348 3.514 30 20 CHED N#Cc1cccc(CSCc2ccc(CO)cc2)c1F 352041149 VSGIXMXZEGQFIF-UHFFFAOYSA-N 287.359 3.623 30 20 CHED N#Cc1cccc(CNCC[C@H]2CCc3ccccc32)c1 449380276 VVIWEWNDWIRSEN-GOSISDBHSA-N 276.383 3.768 30 20 CHED C[C@H]1CCc2c(sc(NC(=O)C3CC=CC3)c2C#N)C1 610121682 ZMBLXFRFMBFMAS-JTQLQIEISA-N 286.400 3.649 30 20 CHED C=CCCC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 355787766 AZKWWKWZZAPHHM-JTQLQIEISA-N 261.296 3.715 30 20 CHED CC[C@@H](CC#N)NCc1ccc(OC)c(O[C@H](C)CC)c1 613044493 YBGMZYKBKXNVGC-HIFRSBDPSA-N 290.407 3.654 30 20 CHED Cc1ccc(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)c(C)c1 448283793 NSPKIDNZQOFYSI-MOPGFXCFSA-N 298.430 3.731 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cnc([C@H](C)CC)nc1 358177509 GJNJDYJGIIGYPO-NEPJUHHUSA-N 261.369 3.531 30 20 CHED Cc1[nH]c2c(C(=O)N3CCC[C@@](C)(C#N)C3)cccc2c1C 612366975 JMZHYUKBPUCTFX-SFHVURJKSA-N 295.386 3.551 30 20 CHED Cc1cc(C)c2[nH]cc(C#N)c(=NCc3ccoc3C)c2c1 610275645 COQBFQFXDCUFDZ-UHFFFAOYSA-N 291.354 3.659 30 20 CHED N#Cc1cccc(Cl)c1N1CC[C@@H](c2ccco2)C1 610277879 FLFWQGDISYGOFK-GFCCVEGCSA-N 272.735 3.799 30 20 CHED CCOc1ccccc1CN(C#N)c1ccc(F)c(C#N)c1 610340096 KHOYOWIAESHSSY-UHFFFAOYSA-N 295.317 3.584 30 20 CHED CC(C)Oc1ccc(OCc2cccc(C#N)c2)cc1 536117469 SONIGRAMJXUTAI-UHFFFAOYSA-N 267.328 3.924 30 20 CHED CC(C)N(Cc1cccc(OCCCC#N)c1)CC1CC1 536638946 WLKFYNUVYBVTPU-UHFFFAOYSA-N 286.419 3.990 30 20 CHED C[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)[C@@H](C)c1ccccc1 612134757 AWSZPGKOQJPCRQ-RVKKMQEKSA-N 299.418 3.514 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(F)cc(C)cc2F)C1 617779315 YSMIHBPNACHPQO-GFCCVEGCSA-N 279.330 3.702 30 20 CHED CC(C)C[C@H](NCc1ccnc(C#N)c1)c1cccs1 612475321 CADGFBWJVHVELF-HNNXBMFYSA-N 285.416 3.892 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1 265490231 VKJYCEMLDNZXCY-SNVBAGLBSA-N 287.190 3.795 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cc2ccc(C)cc2o1 453375305 WLDYAMQEAMBFJQ-ZFWWWQNUSA-N 273.376 3.719 30 20 CHED CC(C)COCCCN[C@@H]1CCCc2cc(C#N)ccc21 611390395 XKHNSHNULYEMLF-GOSISDBHSA-N 286.419 3.588 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(OC)cn1)c1ccccc1 360373033 CJYHVODGUAKLTH-INIZCTEOSA-N 296.370 3.528 30 20 CHED C=C(C)CCNC(=O)N(C)C/C(C)=C\c1ccccc1 455330436 UULQORVDLSYHNI-QINSGFPZSA-N 272.392 3.698 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@H]1CCOc2c(F)ccc(F)c21 360568084 JFBZWOUSVYTRAH-MFKMUULPSA-N 295.329 3.507 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 454469823 XFEIBSGIKUWJEV-LLVKDONJSA-N 295.452 3.767 30 20 CHED CC(C)N(C)CCCN[C@@H]1CCCCc2cc(C#N)ccc21 360831515 FLAYOCDLTRVRNI-LJQANCHMSA-N 299.462 3.646 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1nc2c(s1)CCC2 459630976 HLJIJZLBAKWMNU-NSHDSACASA-N 277.437 3.612 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 454922509 WHYWPSANMYTXEC-IHRRRGAJSA-N 264.413 3.561 30 20 CHED C=CCC1(C(=O)N2CC[C@H]2Cc2ccccc2)CCCC1 450030626 XNNXCFZUNWSXNT-KRWDZBQOSA-N 283.415 3.967 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@](C)(C#N)CC 456855900 IWPKOQPAQKQLOC-FMKPAKJESA-N 264.413 3.649 30 20 CHED CC(C)(C#N)c1nc(COc2ccc3ccccc3c2)no1 547054691 XUGALLPODCJSBQ-UHFFFAOYSA-N 293.326 3.603 30 20 CHED C=CCCCCCN(C)Cc1ccn(CC(F)(F)F)n1 450431480 ZOKCPARMVPMMKA-UHFFFAOYSA-N 289.345 3.624 30 20 CHED C=CCN(CCc1ccco1)C(=O)NCC1=CCCCC1 458894973 AFSYPSSYAHUSSJ-UHFFFAOYSA-N 288.391 3.520 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1c1ncccc1C#N 450598984 KBOCXOYADUBXCB-CKEIUWERSA-N 277.371 3.724 30 20 CHED C=CCC1(NC(=O)c2c[nH]c3cccnc23)CCCCC1 456362171 GULGSRPCLRJPLD-UHFFFAOYSA-N 283.375 3.572 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)NCCC=C(C)C 276678063 DWRVMVOAUKFQEF-UHFFFAOYSA-N 297.402 3.612 30 20 CHED N#CCCCCN(Cc1ccc(F)cc1)C1CCOCC1 279322807 SLLMFEPZXWXFDJ-UHFFFAOYSA-N 290.382 3.501 30 20 CHED C=C(CC)CNC(=O)N1CCc2sccc2[C@H]1CC 459080721 QCJHRLBWNYWDJA-CYBMUJFWSA-N 278.421 3.733 30 20 CHED CC(C)c1nc(CNc2ccc(CC#N)cc2Cl)no1 453131683 PLQDKFRKNYOVGV-UHFFFAOYSA-N 290.754 3.525 30 20 CHED C=CCN(Cc1coc(-c2ccc(OCC)cc2)n1)C1CC1 540054446 QKLDXVWQIFRVAW-UHFFFAOYSA-N 298.386 3.891 30 20 CHED COc1ccc([C@H](C)OC(=O)C2(C#N)CCCCC2)cc1 270841718 VHLZWNKGNDZRPM-ZDUSSCGKSA-N 287.359 3.773 30 20 CHED C[C@H](NC(=O)NCCCC#N)c1cc2ccccc2s1 273162828 CTECZXKIHNDWDA-NSHDSACASA-N 287.388 3.565 30 20 CHED Cc1ccc2[nH]c([C@@H]3CCCN([C@H](C)CCC#N)C3)nc2c1 276306125 LDEPZMVMTUBMGQ-HUUCEWRRSA-N 296.418 3.743 30 20 CHED C=C[C@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 465101396 GQQTVCVXBDXOEW-VIFPVBQESA-N 272.175 3.617 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCC[C@H](C)CC1 468094811 XCTIQTYWKQIPBS-JKSUJKDBSA-N 281.440 3.834 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1ccccc1)c1ccco1 285829859 WVCJUKFERZYJMY-JKSUJKDBSA-N 271.360 3.610 30 20 CHED C=CCC[C@H](CCC)N[C@H](CC)C1CCOCC1 462102432 CASCYLYCPZYSOZ-JKSUJKDBSA-N 253.430 3.916 30 20 CHED C=C(C)CCc1noc([C@@H](C)Sc2ccccn2)n1 285186628 RJLSPDKELGORSB-LLVKDONJSA-N 275.377 3.827 30 20 CHED Cc1cc(C(F)(F)F)nn1[C@@H](C)c1cccc(C#N)c1 289966291 WYJFSVSHODYFJO-JTQLQIEISA-N 279.265 3.691 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)ccc1OC(F)F 467059691 VPRAFKVMSBWVJK-UHFFFAOYSA-N 289.709 3.590 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C)cc1F 466366158 DAKNVWFNSCALJP-LLVKDONJSA-N 250.317 3.610 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1c(C)coc1C 284258551 GSXUZUUBBZZFJP-UHFFFAOYSA-N 297.358 3.842 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN1c1ccccc1 469752334 MJQDVROHSVWIQG-RDJZCZTQSA-N 286.419 3.516 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC(C)C)c1ccccn1 280715527 FDBHGEOQKFJJLD-NXHRZFHOSA-N 288.435 3.740 30 20 CHED Cc1ccnc(N2CC(C)(C)CC(C)(C)C2)c1C#N 466461780 DQMISVBOXCRQTF-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C=C(C)CCNc1ccn(-c2ncccc2C(F)(F)F)n1 288708985 KPPPLPHVVXWRKU-UHFFFAOYSA-N 296.296 3.664 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@H](C)C[C@H]1CC 460374594 ILTBMMCIVPIGLU-HUUCEWRRSA-N 290.455 3.678 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@H]1CCCC 556415977 KYWVDSSYVUVPFP-HUUCEWRRSA-N 264.413 3.729 30 20 CHED CC(C)(c1ccccc1)c1noc(-c2ccc(C#N)cc2)n1 389191016 MWOFCUVSGPHYDR-UHFFFAOYSA-N 289.338 3.934 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(OC(C)C)cc2)no1 288824748 BAVSYIJHQAYONB-MRXNPFEDSA-N 285.347 3.715 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(-c2ncco2)c1 286688993 GRQJDEPRDZLTAO-INIZCTEOSA-N 283.331 3.528 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(C(C2CCC2)C2CCC2)no1 556412642 MEQWFHDSQOOMEB-QFYYESIMSA-N 271.364 3.555 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(SC)cc1 292281661 HPMRFZVQDKXNPC-UHFFFAOYSA-N 277.433 3.670 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2ccccc2Cl)c1 806559384 ZESWOJPYRGPFNG-HJWRWDBZSA-N 286.714 3.934 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCCOc2ccccc21 292391738 XHNTVLSPYGHXPO-AWEZNQCLSA-N 273.376 3.619 30 20 CHED CCCC[C@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 800273492 FIFCXLICIJGWCO-QWHCGFSZSA-N 259.349 3.989 30 20 CHED C=CCN(CCC#N)Cc1csc(C2CCCC2)n1 292259877 RKJADIPVSPEOHB-UHFFFAOYSA-N 275.421 3.702 30 20 CHED C=CCOc1ccc(OC(=O)C2(C(F)F)CCCC2)cc1 808463958 FARPVMIXMZVJMI-UHFFFAOYSA-N 296.313 3.982 30 20 CHED C=CCC[C@@H](Nc1ccc2c(c1)nnn2C)c1ccco1 647331637 GDCWPDQLEFSFGI-CYBMUJFWSA-N 282.347 3.681 30 20 CHED CC1CCN(c2ccc(NC(=O)CCCC#N)cc2)CC1 291799451 YOGAZUQNSMSNSL-UHFFFAOYSA-N 285.391 3.555 30 20 CHED C=C(C)CN(Cc1cccc(C)c1)Cc1ccccn1 471186120 LOHBISKBYZVYBY-UHFFFAOYSA-N 266.388 3.968 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc3nc(C)sc3c2)no1 809420238 SNVQPMCUZOZZRK-UHFFFAOYSA-N 297.383 3.956 30 20 CHED Cc1nsc(Nc2ccc([C@@H]3CCOC3)cc2)c1C#N 292798431 NCAAOOPWXAKTGR-GFCCVEGCSA-N 285.372 3.571 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)CCC[C@@H]1C 472832311 ICQMMFABPMNTRG-KGLIPLIRSA-N 252.402 3.563 30 20 CHED Cc1ccc(C=NNCCC(C)(C)C)c(-c2ccnn2C)c1 802711998 FSBKSGUKUTVWRB-UHFFFAOYSA-N 298.434 3.755 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 470159437 XHLJWRFRWNDYOW-MRXNPFEDSA-N 286.419 3.581 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 701309263 QPQXXCAEPMPXBC-IHVVCDCBSA-N 297.185 3.815 30 20 CHED C#C[C@H](NC/C=C/c1ccc(F)c(F)c1)C(C)(C)C 809782716 FKNDJVORYHUQPM-LFAOLKIESA-N 263.331 3.616 30 20 CHED Fc1ccccc1-c1ccc(C=NN[C@@H]2CCSC2)o1 808003048 RMRKAYSQGHKJHC-LLVKDONJSA-N 290.363 3.515 30 20 CHED CN(CCc1ccc(Cl)cc1)[C@H]1CC[C@@H](C#N)C1 293215102 VDKPPVAZKCHHOW-HIFRSBDPSA-N 262.784 3.507 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](O)c1ccc2ccccc2c1 293735660 OTHKAAUAKJVWGJ-KRWDZBQOSA-N 297.398 3.592 30 20 CHED N#Cc1cccc(NC(=O)N2CC(C3CCCCC3)C2)c1 297424206 JXCBJYAMLIYCLA-UHFFFAOYSA-N 283.375 3.602 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc(C2=CCCC2)cc1 290272383 BKAHOJWDFCOEEG-ZDUSSCGKSA-N 268.360 3.628 30 20 CHED C=CCCCCCCNC(=O)[C@H]1Cc2ccccc2S1 805221837 VWFHUBXUWFWCAD-MRXNPFEDSA-N 289.444 3.956 30 20 CHED CCC[C@H](C#N)NC(=O)c1cccc2c1ccn2CC(C)C 568705170 PGYUXSLZGHTZTP-CQSZACIVSA-N 297.402 3.719 30 20 CHED C=CCC(C)(C)C(=O)NCc1nc2ccccc2n1C(C)C 295075300 SLKARNFTQIRVMB-UHFFFAOYSA-N 299.418 3.836 30 20 CHED CCc1ccc(C(=O)N[C@@H](C#N)c2ccc(CC)cc2)cc1 569645501 HRMHZXSJWWIEKT-SFHVURJKSA-N 292.382 3.806 30 20 CHED C=CCN(c1nnc(-c2cc(C)oc2C)n1C1CC1)C1CC1 565722588 UVAFTYXDXNYHLD-UHFFFAOYSA-N 298.390 3.645 30 20 CHED C=C(C)Cn1c(N2CC[C@](C)(CC)C2)nnc1C(C)(C)C 566683470 JZBZSSMLZMKUNX-KRWDZBQOSA-N 290.455 3.778 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNC2CCC(C)(C#N)CC2)o1 562519319 JNOHIKIMWQXBDF-XOSUWLCWSA-N 272.392 3.965 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 817503412 LPPUAXHUNGMATD-UHFFFAOYSA-N 283.371 3.584 30 20 CHED C#C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(Cl)cc1 811949352 VZPCHZODZSWBKC-NHYWBVRUSA-N 275.779 3.567 30 20 CHED CCCC(=NNCC1(C)CCCC1)c1cccnc1 814937295 BAKZYPPKEVRMHQ-UHFFFAOYSA-N 259.397 3.756 30 20 CHED Cc1csc(NC(=O)N2CC[C@H](C)C[C@@H](C)C2)c1C#N 560465739 PASGNXIHAPGBSX-WDEREUQCSA-N 291.420 3.828 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(F)ccc2OC)cc1 812239876 GLVCHMUQIWPUTK-UITAMQMPSA-N 286.302 3.739 30 20 CHED CC(=NOC1CCC1)c1ccccc1Br 812235465 HJMIQBIILQJMJY-UHFFFAOYSA-N 268.154 3.742 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCC1CC(OCC)C1 657986460 MQKXGODDBVWFOK-MNAZLIDISA-N 265.441 3.916 30 20 CHED N#CCCCC(=O)Oc1ccc(Sc2ccncc2)cc1 812956986 CIJVLHMZPCWFIJ-UHFFFAOYSA-N 298.367 3.832 30 20 CHED C=CCC[C@H](NCc1c(F)cc(F)cc1F)C1CC1 815650217 LWKVALDJKUKKFD-HNNXBMFYSA-N 269.310 3.938 30 20 CHED C=CCc1cccc(F)c1OCc1cc2n(n1)CCCC2 650323426 NGRVPRHFALXKOA-UHFFFAOYSA-N 286.350 3.666 30 20 CHED CC[C@H](C)CON=C(C)c1cccc(CN(C)C)c1 814939263 KKWBHTJSPHCJQP-ZDUSSCGKSA-N 262.397 3.535 30 20 CHED CCCCCCCCNC(=O)[C@H]1CCC[C@@H](OC)C1 814414258 UMEHWZPFAPFRGK-LSDHHAIUSA-N 269.429 3.668 30 20 CHED CCc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)s1 571693994 FIFDGCCGBMFHSS-QGZVFWFLSA-N 282.412 3.959 30 20 CHED C=CCCN[C@H]1CCCSc2ccc(OC)cc21 658113939 JRRDDGNZWHBFIT-AWEZNQCLSA-N 263.406 3.788 30 20 CHED CCCCCCCCC[S@](=O)c1cccc(C(N)=O)c1 811680265 XOPJRZZFFLZAJI-FQEVSTJZSA-N 295.448 3.644 30 20 CHED CC(C)(C)c1ccc(CC(=O)N(CCC#N)CC2CC2)cc1 481432981 HAVNUMNWBZHRNB-UHFFFAOYSA-N 298.430 3.679 30 20 CHED Cl/C=C\CON=Cc1ccc(Br)cc1 811669443 DVLXNJGEQGNOHZ-LAKHWXAFSA-N 274.545 3.552 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1cc(C)sc1C 819814622 CSDFDCJAHAELSF-LLVKDONJSA-N 273.405 3.835 30 20 CHED C=CCCCCNc1ccccc1C(=O)N1CCCC1 575215737 IPBPVMCKDPZVRW-UHFFFAOYSA-N 272.392 3.691 30 20 CHED N#CCC1(OC(=O)c2cncc(-c3ccccc3)c2)CCC1 810858892 PFXZAQSRDRDPMW-UHFFFAOYSA-N 292.338 3.742 30 20 CHED CCc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc1 811695236 BADHJPVGXOICFB-MFOYZWKCSA-N 273.335 3.943 30 20 CHED CC[C@H](C)c1ccc(C(=O)COC(=O)CCCC#N)cc1 812616746 NWEREJPQDNNBCU-ZDUSSCGKSA-N 287.359 3.620 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(SC)ccc1C 481391087 KZAMCKDELVRDBP-UHFFFAOYSA-N 264.394 3.757 30 20 CHED C=CCC1(C(=O)N2CCCc3c(F)cc(F)cc32)CCC1 485575869 QLHGLUZSPXKPGH-UHFFFAOYSA-N 291.341 3.990 30 20 CHED CCCCCCCCCN(C)C(=O)Cc1c(C)n[nH]c1C 728314160 KAQZBHJBMNQUGX-UHFFFAOYSA-N 293.455 3.778 30 20 CHED CC[C@H]1CN(CCC(C)(C)C#N)c2ccccc2O1 573155305 GCJLYITVIAEXNG-ZDUSSCGKSA-N 258.365 3.604 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1OC(F)F 486782304 USCFPWRIWIUQQF-NSHDSACASA-N 296.317 3.860 30 20 CHED C=CCN(C(=O)/C=C(\C)c1ccccc1OC)C(C)C 727305272 XWUPLEXALZJXLS-WYMLVPIESA-N 273.376 3.522 30 20 CHED CCCCCCCCCN(C)C(=O)c1nccnc1C 823167975 KJCAMPIYFKXDIZ-UHFFFAOYSA-N 277.412 3.608 30 20 CHED C=CCN(CCc1ccco1)Cc1ccccc1OCC 491343929 UGFUXRQPNCNXTI-UHFFFAOYSA-N 285.387 3.909 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@]23CCC[C@H]2C3)cc1 575740049 USUGXZKHICUSGF-SUMWQHHRSA-N 268.360 3.616 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)C/C(C)=C/c1ccccc1 494828879 JCSVDEIVMPBZHD-OKFGHLOFSA-N 272.392 3.696 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 572432999 WNLSHVBAYZJPOE-HRCADAONSA-N 286.419 3.715 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C1CCC=CCC1 821797438 PLYCHBVABBUHIZ-CYBMUJFWSA-N 284.359 3.662 30 20 CHED C=CCN(CCOC)[C@@H](C)c1ccc(C(F)(F)F)cc1 574999039 KZJXMLZVGKQJAH-LBPRGKRZSA-N 287.325 3.901 30 20 CHED C#CCN(CC)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727790573 YIBAJOVWCJQCBK-NEPJUHHUSA-N 296.197 3.579 30 20 CHED C#Cc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)nc1 728798473 KUCYDNDGAXHDDY-UHFFFAOYSA-N 292.121 3.589 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)cc(C)c1F 495395031 ZKMNBVJGEABWDT-HNNXBMFYSA-N 288.366 3.645 30 20 CHED C=CCOCCOc1ccc(CN2CCCC2)c(Cl)c1 664100939 NBMKTXIVCBTUAN-UHFFFAOYSA-N 295.810 3.517 30 20 CHED C[C@@H]1CC(=O)c2c(OCC3(CC#N)CC3)ccc(F)c21 663939469 NGBTWGKMIDCCDC-SNVBAGLBSA-N 273.307 3.588 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 497327319 KTQKQKWWZWQTNL-BFYDXBDKSA-N 282.387 3.647 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2c(F)cc(F)cc2F)C1 666215464 IEOQMFAXAPXDSN-JTQLQIEISA-N 298.308 3.924 30 20 CHED C=CCC1(NCCCCCn2cc(C)cn2)CCCC1 661847675 COEJCGNRBPEZSD-UHFFFAOYSA-N 275.440 3.840 30 20 CHED C=C[C@H](CC)CC(=O)OCc1csc(C2CC2)n1 909524108 DOUSVAQICZFIIP-SNVBAGLBSA-N 265.378 3.666 30 20 CHED Cc1cc(N2CCC(c3ccccc3C)CC2)cc(C#N)n1 583770306 XAZAITGJFAGKFQ-UHFFFAOYSA-N 291.398 3.954 30 20 CHED C=CCC1(CNC(=O)c2cn(C(C)C)nc2C)CCCC1 581259409 IZNWBZIFHNZALX-UHFFFAOYSA-N 289.423 3.639 30 20 CHED C=CCC[C@H](C)NCCc1cc2ccc(C(=O)O)cc2o1 905804901 VXZIAVMMWJZHGJ-LBPRGKRZSA-N 287.359 3.618 30 20 CHED C=CCCCCN1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 496834139 BBCZWOBAEPGOJB-LSDHHAIUSA-N 296.455 3.578 30 20 CHED C=CCC[C@H](NCc1ccc(CCO)cc1)c1ccco1 903403057 LUFHTUXAQNVAEJ-KRWDZBQOSA-N 285.387 3.612 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(F)c1F 498957558 RYJDTRMVCJQKAL-UHFFFAOYSA-N 289.281 3.782 30 20 CHED C[C@H](C[C@H]1CCOC1)Nc1ccc(C#N)cc1C(F)(F)F 589583922 GOWGOFFWJOTSPK-ZYHUDNBSSA-N 298.308 3.804 30 20 CHED C=C(CNC(=O)N[C@H]1CC[C@H](C)CC1)c1ccccc1 495236440 GFHQAQIVRBSPKL-SAZUREKKSA-N 272.392 3.578 30 20 CHED Cc1ccc(C(F)(F)C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839056148 ZOWNZHXKLYETLS-GXTWGEPZSA-N 293.313 3.712 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Cc1ccc(OCC)cc1 665480594 JIMDFZWLIMIFQV-GOEBONIOSA-N 289.419 3.735 30 20 CHED CC(C)(C#N)CCCCOC(=O)C[C@@H]1CC[C@H]2C[C@H]12 838122319 JUURBEHLEYJMMJ-IHRRRGAJSA-N 263.381 3.686 30 20 CHED CC(=NNc1nccnc1Cl)[C@H]1CCCC[C@H]1C 834958265 JQVNBTIQTBGWDA-KOLCDFICSA-N 266.776 3.744 30 20 CHED CCCCO[C@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839436415 XPUXMMABZWKUGU-CYBMUJFWSA-N 296.370 3.855 30 20 CHED COc1ccc(Cl)cc1C(C)=NNc1ccccn1 730544772 ZDNARCPQCHPLRZ-UHFFFAOYSA-N 275.739 3.580 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)NCC1(C#N)CC1 903106810 VZBSYGHKWMNLHV-JTQLQIEISA-N 263.410 3.529 30 20 CHED CC(C)(C)Oc1ccc(NCCCCCCO)cc1C#N 834634482 ACAXVZUKWGYZGS-UHFFFAOYSA-N 290.407 3.700 30 20 CHED CC(=NNc1cccc2cnccc12)[C@@H]1C[C@H]2CC[C@H]1O2 834953314 DRBKMSXYBFMTOZ-UKPHBRMFSA-N 281.359 3.590 30 20 CHED C=C(C)C[C@@H](NC/C=C\c1cc(C)c(C)cc1C)C(=O)O 901682636 VUIPGVHEGCPFCM-JTGQJZMRSA-N 287.403 3.634 30 20 CHED Cc1cccc(C)c1COC(=O)c1ccc(C#N)cc1 738572568 FVBMSDSIBJWARJ-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CC(C)CC1CCN(C(=O)c2cc(C#N)ccc2F)CC1 830168597 OVQLEVYUABYXNQ-UHFFFAOYSA-N 288.366 3.596 30 20 CHED C=CCCCOC(=O)c1cccc(Cn2nc(C)cc2C)c1 735534349 KJPORMXTHLOGTM-UHFFFAOYSA-N 298.386 3.671 30 20 CHED CC(C)CC(=NNc1ncc(F)cc1F)c1ccccn1 835022477 LBQKXBSLSWRXRS-UHFFFAOYSA-N 290.317 3.617 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1sc(C)cc1C 908634655 POZNTBNDCWUEGY-ZDUSSCGKSA-N 291.416 3.505 30 20 CHED COc1ccc(CN[C@@H](C)c2csc(C)c2)cc1C#N 834688825 FQNIGIKEYJCSDP-LBPRGKRZSA-N 286.400 3.788 30 20 CHED N#Cc1ccc(C(=O)OC[C@@H]2CCCCC2(F)F)cc1 835646863 LUUZANCDEFWGTE-ZDUSSCGKSA-N 279.286 3.541 30 20 CHED N#Cc1cnccc1NC(=O)c1ccc(-c2ccccc2)cc1 730090483 ZWJSTOTZSRUQCD-UHFFFAOYSA-N 299.333 3.873 30 20 CHED C[C@@H](CCN1CCC[C@@H](CC#N)C1)OCc1ccccc1 595623066 GCZUAHUNSZLCJO-IRXDYDNUSA-N 286.419 3.607 30 20 CHED CCN(Cc1ccc(Cl)c2cccnc12)[C@@H](C)C#N 595814292 SRYSNWDXCHIIPK-NSHDSACASA-N 273.767 3.622 30 20 CHED C=C(CNC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1 672667399 BTZVJKPGEGQZRC-XJKSGUPXSA-N 272.392 3.578 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc2oc(C)c(C)c2c1 593615084 IQERMDYTLRAWGY-NSHDSACASA-N 256.305 3.538 30 20 CHED C=CCC[C@H](NC[C@]1(C)CC1(Cl)Cl)C1CC1 834884326 KPPBTOZVPMOSBO-RYUDHWBXSA-N 262.224 3.905 30 20 CHED CC(C)Oc1ccc(NC(=O)N(C2CC2)C2CC2)cc1C#N 599766712 POGAPHYMZTXCTP-UHFFFAOYSA-N 299.374 3.504 30 20 CHED CCCC(=NNc1ncccn1)c1ccc(Cl)cc1 912974352 RESMIYRHZFWPOE-UHFFFAOYSA-N 274.755 3.746 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 593477528 BUNANUOKHURBPF-DTWKUNHWSA-N 285.174 3.720 30 20 CHED Cc1ccccc1CCN(C)C(=O)CC1(C#N)CCCCC1 597707567 NKXWXMOLTMOZOH-UHFFFAOYSA-N 298.430 3.860 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(OC2CCCC2)cc1)C1CC1 598124942 COPVFSQWMMDXHK-ZDUSSCGKSA-N 298.386 3.525 30 20 CHED Clc1cncc(NN=C2CCCCCCC2)n1 914560027 NMQSBNWGLWDPFS-UHFFFAOYSA-N 252.749 3.642 30 20 CHED CSc1ccc(Cl)c(C(=O)N(C2CC2)[C@H](C)C#N)c1 598123025 IRYIOOPNLFXWDD-SECBINFHSA-N 294.807 3.579 30 20 CHED C#CCN(Cc1cccc(Cl)n1)[C@@H]1CCc2ccccc21 744388423 PANVETZKGAHXMH-QGZVFWFLSA-N 296.801 3.858 30 20 CHED CC[C@H](C)CCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 595725701 HQOJECSBOWATBI-UONOGXRCSA-N 287.407 3.697 30 20 CHED C=C(C)CCOC(=O)/C=C(\C)Cc1ccccc1OC 744303155 ORAJNZOXWTYCPU-WYMLVPIESA-N 274.360 3.693 30 20 CHED CC(=NNc1ncccn1)c1cc2cc(C)c(C)cc2o1 749158861 TZVYBSFYRDNGBV-UHFFFAOYSA-N 280.331 3.676 30 20 CHED CCC(=NNc1cccc(Br)n1)[C@H]1C[C@H]1C 841643085 HPSVGBSDSZUDEC-BDAKNGLRSA-N 282.185 3.678 30 20 CHED C=CCN(C(=O)c1ccc(O[C@H](C)CC)cc1)C(C)C 749982122 VGCCSSMHSJMIKR-CQSZACIVSA-N 275.392 3.901 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)[C@H](C)Cc1ccc(C#N)cc1 594043117 GEYAMZMAOQAALJ-KGLIPLIRSA-N 284.403 3.526 30 20 CHED N#Cc1ccc(C(=O)OCc2ccccc2Cl)s1 749308806 DHCYZTKZCRZNOB-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CC1(C)CCCC1=NNc1oc(C(C)(C)C)nc1C#N 749855266 GTBXPKCKTCGUGM-UHFFFAOYSA-N 274.368 3.822 30 20 CHED COc1cc(C(=O)/C=C/C=C\c2ccc(F)cc2)ccc1O 747695137 HJDCDSHOPHFACW-VOERYJCWSA-N 298.313 3.992 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCc1ccc(C)cc1C 682367708 VJWCSHQAUPFYFJ-GOSISDBHSA-N 273.420 3.955 30 20 CHED COc1ccc(Cl)cc1C(C)=NOCC(C)C 749626216 NHUVLXXUUXYSPR-UHFFFAOYSA-N 255.745 3.745 30 20 CHED Fc1ccc(/C=C\C=NNc2ccc3[nH]ncc3c2)c(F)c1 758127789 UEUKTBWUDGUWCM-YZHSZULSSA-N 298.296 3.952 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccccc1SCC=C(C)C 754387990 CDBBSVFWJCWMMU-AWEZNQCLSA-N 287.428 3.887 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccc(Cl)cn1 853436313 XCAZBEMZIPCQFO-LLVKDONJSA-N 276.771 3.853 30 20 CHED C#CCCCC(=O)N1CC(CC)(CC)c2ccccc21 757980521 DFTBXPLBRNRBFG-UHFFFAOYSA-N 269.388 3.895 30 20 CHED C[C@H](OC(=O)c1ccc(CC#N)cc1)c1ccccc1F 758689987 NGNUUMIIUOGHLB-LBPRGKRZSA-N 283.302 3.810 30 20 CHED CC[C@H](C#N)OC(=O)/C=C\c1ccc2cc(OC)ccc2c1 753422930 YEEABKWGOFJJDR-MEMKZHQFSA-N 295.338 3.707 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)C(C)=C(C)C 757343828 OMJSNAORBHUAIX-UHFFFAOYSA-N 293.750 3.872 30 20 CHED C[C@@H](C=NNCc1ccc(C#N)cc1)c1ccc(F)cc1 756895792 WLWLCGDGCRHJBR-ZDUSSCGKSA-N 281.334 3.576 30 20 CHED CO[C@H](C=NNc1nc(-c2ccccc2)cs1)C1CC1 853281181 WOVBNZIRQPHANW-CQSZACIVSA-N 287.388 3.633 30 20 CHED Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C#N)C1 929190267 WZGYYSNTJNCUER-CQSZACIVSA-N 285.391 3.886 30 20 CHED CO[C@H](C#N)c1ccc(-c2cc(CN(C)C)ccc2F)cc1 854196560 FBURDEGSVJTVSF-GOSISDBHSA-N 298.361 3.765 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1OCCC(C)C 855047061 XBLQYBWXLJTEHH-UHFFFAOYSA-N 273.376 3.709 30 20 CHED CC[C@H](C#N)OC(=O)CCC(=O)c1ccc2ccccc2c1 753422837 VPUACYKDAADBEB-MRXNPFEDSA-N 295.338 3.648 30 20 CHED CC(=Nn1cnnc1)[C@H](C)c1ccc(CC(C)C)cc1 853253819 FMABKNVSSZWNTD-ZDUSSCGKSA-N 270.380 3.504 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)cn1 850463773 YDGDEKWHOPLOON-INIZCTEOSA-N 299.805 3.718 30 20 CHED COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(C)s1 754664503 RZCIWNINXKKBAB-LBPRGKRZSA-N 286.400 3.788 30 20 CHED COc1cccc(NN=Cc2coc(-c3ccccc3)n2)c1 755607903 COINHEYAVLZUGQ-UHFFFAOYSA-N 293.326 3.796 30 20 CHED C#CC[C@H](NC(=O)c1ccc(CC)cc1)c1ccccc1 757575980 BNDWEIQKNLVURH-SFHVURJKSA-N 277.367 3.743 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cncc2ccccc12 851207725 GRDWBDFPOSXWBW-GFCCVEGCSA-N 282.343 3.720 30 20 CHED C=C1CCN(C(=O)/C(C)=C/c2ccccc2Cl)CC1 755862993 VSLNNQZOVOFDJC-ACCUITESSA-N 275.779 3.922 30 20 CHED C#CC[C@H](NC(=O)Nc1ccc(Cl)nc1)c1ccccc1 756922258 NUIUZZQLAFTJEP-AWEZNQCLSA-N 299.761 3.621 30 20 CHED CC(C)COc1ccc(C=NO[C@@H]2CCCCO2)cc1 755821151 BOGCFVYIUSDKNN-MRXNPFEDSA-N 277.364 3.599 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 753111413 FTBPMODOCODBBH-GXSJLCMTSA-N 299.201 3.765 30 20 CHED CC(C)c1cccc(C(=O)O[C@@H](C)CC(C)(C)C#N)n1 851210214 SHVBENOVGRBHOL-LBPRGKRZSA-N 274.364 3.690 30 20 CHED CCSc1ccc(CC(=O)[C@@H](C#N)c2ccccn2)cc1 752477087 ABYHGXMNEJJLGJ-HNNXBMFYSA-N 296.395 3.613 30 20 CHED C=CCCOC(=O)c1ccc(CCC(F)(F)F)cc1 751889661 MOQJTRBUTXGVGW-UHFFFAOYSA-N 272.266 3.914 30 20 CHED C#CCCN(Cc1cc(C)ccc1C)CC(F)(F)F 767899118 GKMYLJKMYOKPJW-UHFFFAOYSA-N 269.310 3.691 30 20 CHED CCCCCCCNC(=O)c1c(C(C)C)nn(C)c1Cl 862358724 SHNWTPSBIROQMB-UHFFFAOYSA-N 299.846 3.897 30 20 CHED COc1cccc(/C=N/CCCc2cccs2)c1O 769549773 VVMKJAYUSHAUGD-LFIBNONCSA-N 275.373 3.514 30 20 CHED C#CCOc1cccc(-c2noc(/C=C(/C)C3CC3)n2)c1 761783225 PXSCZYOTAXFLBD-BENRWUELSA-N 280.327 3.562 30 20 CHED CC(C)=C(C)C(=O)OCc1ccccc1C(C)(C)C#N 768041912 WSTKBLXAYSQMBR-UHFFFAOYSA-N 271.360 3.887 30 20 CHED OC1CCC(=NOCc2ccc(C(F)(F)F)cc2)CC1 761829095 YUWHDIYMEUVEDB-UHFFFAOYSA-N 287.281 3.513 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2ccc(C3CCC3)cc2)C1 931111558 FAMBTDAWQXGLHQ-ZDUSSCGKSA-N 283.375 3.722 30 20 CHED C[C@@H]1CCC(=NNc2ncnc3sccc23)C[C@H]1C 767359049 FMPIITIIIHRINK-NXEZZACHSA-N 274.393 3.915 30 20 CHED COc1ccsc1/C=C/C(=O)c1cccc(C#N)c1 764434531 ZVZONHIESFSYTI-AATRIKPKSA-N 269.325 3.524 30 20 CHED COc1ccc2ccccc2c1C=NOCC1CC1 763172740 XLCVJHQPUXXJKO-UHFFFAOYSA-N 255.317 3.609 30 20 CHED CC(C)CN(CCC#N)Cc1nccc2ccccc12 768153866 NNVMAZXLVWLTLY-UHFFFAOYSA-N 267.376 3.606 30 20 CHED Cc1ccc(F)c(CN(C)c2ccc([N+](=O)[O-])cc2C#N)c1 767380960 OBSWSASTDQWBAK-UHFFFAOYSA-N 299.305 3.550 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@H](CCC)C(C)C 764272374 IEFIVKBRNARMGD-CQSZACIVSA-N 291.366 3.849 30 20 CHED Cc1ccc(NC(=S)NN=C2CC(C(F)F)C2)cc1C 766008517 SODSAERGNBMMOO-UHFFFAOYSA-N 297.374 3.621 30 20 CHED C=C(Cl)CN[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 779105600 AIBUUACNZFIINI-GFCCVEGCSA-N 274.795 3.676 30 20 CHED C#CC[C@H](NC(=O)N1CCCC[C@@H](C)C1)c1ccccc1 776169525 KQIJDMVEYWQJAI-WBVHZDCISA-N 284.403 3.583 30 20 CHED CC1(C)Cc2cccc(/C=C\C(=O)c3cscn3)c2O1 776192704 SJXVPOOJCLZYFV-SREVYHEPSA-N 285.368 3.753 30 20 CHED C=CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccncc1 776155898 JFERJZUYWZTDOY-KDOFPFPSSA-N 277.371 3.921 30 20 CHED N#Cc1cccc(COC(=O)[C@@H]2CCCc3sccc32)c1 771416829 YOBWQBDOKXAHAH-OAHLLOKOSA-N 297.379 3.783 30 20 CHED C[C@H](C(=O)N(C)c1ccc(C#N)c(Cl)c1)C1CCC1 876168070 GIRCNNHZRSNGQL-JTQLQIEISA-N 276.767 3.611 30 20 CHED CC(CC(C)(C)c1ccccc1)=NOC1CCOCC1 774471249 PATCOFMFHUANQM-UHFFFAOYSA-N 275.392 3.926 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C1[C@@H]2CCC[C@@H]12 776703381 VZYHOWGCPDNYML-ZIAGYGMSSA-N 283.371 3.577 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cccc(F)c2)c(F)c1 772801497 GVHIANNVRFDHTL-SREVYHEPSA-N 269.250 3.733 30 20 CHED CCc1cnccc1C(=O)/C=C/c1nc(Cl)cs1 776191197 FXWBBBWOTAJGEI-ONEGZZNKSA-N 278.764 3.650 30 20 CHED CCCCCCCc1nc(-c2ccc(C)nc2O)no1 771133939 NZBQWPQARDIYEA-UHFFFAOYSA-N 275.352 3.659 30 20 CHED C#CCN(C(=O)c1cc(C)c(OC)c(C)c1)C1CCCCC1 773291118 KCDDRFCVLSPPHD-UHFFFAOYSA-N 299.414 3.720 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1C[C@H]2C=C[C@H]1C2 882947551 FQEQONHTEIOFSJ-JQWIXIFHSA-N 281.746 3.525 30 20 CHED COc1cccc(CC(C)=NNc2cc(C)ccc2F)n1 782907821 WIAVTSMEJUJPIP-UHFFFAOYSA-N 287.338 3.568 30 20 CHED CC/C(C)=C(/C)C(=O)OCc1ccc(CC#N)cc1 780031529 GYHRPLCMIVMGRR-SEYXRHQNSA-N 257.333 3.542 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccccc1Oc1ccccc1 781156692 XTXRYNOOGRKPRF-ZDUSSCGKSA-N 281.311 3.938 30 20 CHED C#CCCCCCC(=O)OCC(=O)c1cccc(Cl)c1 780258074 YDHAEJJWMZDJCL-UHFFFAOYSA-N 292.762 3.650 30 20 CHED COc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1C#N 782194800 RBYGXBAGLGIGGW-DUXPYHPUSA-N 298.729 3.511 30 20 CHED C#Cc1cccc(NC(=O)Nc2cc(CC(C)(C)C)[nH]n2)c1 789834123 AZMOKIKRXWCVCI-UHFFFAOYSA-N 296.374 3.624 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)c1cscn1 783713937 XFRQBYYHEHXZHF-RQOWECAXSA-N 294.719 3.601 30 20 CHED CSc1ccc(C(C)=NNc2ccnc(F)c2)cc1F 781127407 MILMEGVSBSVLRI-UHFFFAOYSA-N 293.342 3.918 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(C#N)ccc2F)C1 888373533 KTXQLYPINPTGFN-VXGBXAGGSA-N 289.354 3.740 30 20 CHED C=CCCCCCOC(=O)C(F)(F)c1ncccc1C 787206189 SRQRSNGWZLKWBJ-UHFFFAOYSA-N 283.318 3.771 30 20 CHED CCCCCCCN1CCOC[C@H]1CC(=O)c1ccco1 781930349 KZPUGPLXVIYWKC-OAHLLOKOSA-N 293.407 3.524 30 20 CHED CCCCCCCCCC(=O)N(C)c1ccon1 892443622 CRLMWTXYKQSKLB-UHFFFAOYSA-N 252.358 3.778 30 20 CHED C=CCCC(=O)O[C@@H](C)c1nc(C2CC2)cs1 781184348 OXTKIDUKEZGSLU-VIFPVBQESA-N 251.351 3.591 30 20 CHED C=CCN(CC=C)C(=O)CNc1ccc(C2CCC2)cc1 783280748 WXGPVBVVZYPROM-UHFFFAOYSA-N 284.403 3.567 30 20 CHED C=CCc1cc(CN(CC(C)(C)C)OC)c(O)c(OC)c1 789532945 YGOPQGQPUPBLOD-UHFFFAOYSA-N 293.407 3.539 30 20 CHED N#Cc1cccc(NN=Cc2ccc(Cl)cc2F)c1 783514659 RCXGPHVHOMQQDM-UHFFFAOYSA-N 273.698 3.797 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1C[C@@]12CCc1ccccc12 783954879 YYEYYSFPJAEMEC-QFBILLFUSA-N 297.398 3.764 30 20 CHED CN(CCc1ccccc1F)Cc1ccc(CC#N)cc1 784156068 BTUHIGSOTCSZCU-UHFFFAOYSA-N 282.362 3.566 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C/c1ccccc1 782025786 YZGBLVRTARPZHC-MDZDMXLPSA-N 257.333 3.573 30 20 CHED C#CCCCN[C@@H]1CCc2sc(Br)cc21 393769173 VCTICDAKIIHSNH-SNVBAGLBSA-N 284.222 3.501 30 20 CHED N#CCCCN[C@@H](c1ccc(Br)s1)C1CC1 275963352 WBBQWQSIAJYMNW-GFCCVEGCSA-N 299.237 3.855 30 20 CHED C=C(CNC(=O)C[C@@H]1CCC2(CCC2)CO1)c1ccccc1 890938138 YXQCDMIWXMYLIR-KRWDZBQOSA-N 299.414 3.555 30 20 CHED COc1cc(Cl)ccc1CNc1ccc(C#N)cc1F 301207891 ULACMXOQELNOPY-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C#CCOc1ccc([C@H](C)Nc2cccc3c2CCO3)cc1 794836782 PACPXVJOCPQADM-AWEZNQCLSA-N 293.366 3.807 30 20 CHED CC(C)[C@H]1CCCC1=NNc1cccc(Cl)n1 793161795 LLKPNMCXLHCYLN-SNVBAGLBSA-N 251.761 3.959 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H](C)c1c(F)cccc1F 797889854 SWRZPHLMHXJZBO-VIFPVBQESA-N 291.253 3.656 30 20 CHED CCO[C@H]1CC(=NNc2ncccc2C)C1(CC)CC 790191133 RWTIMWOOSCLRLB-AWEZNQCLSA-N 275.396 3.773 30 20 CHED CC[C@@H](C)CON=Cc1cccc(Br)c1O 793144643 FFOFJUXEETVMLY-SECBINFHSA-N 286.169 3.551 30 20 CHED C[C@@H](NN=Cc1ccc(O)c(Br)c1)C(C)(C)C 793117735 XZOPAYJMEWLWEU-SECBINFHSA-N 299.212 3.513 30 20 CHED Cc1ccc(C(=O)OCc2cccc(F)c2F)cc1C#N 799549396 OYVDHXUAJBNOIB-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C[C@]1(C=NNc2cc(F)c(F)cc2F)CCCS1 793012315 ITGRWNKUPSJBIM-GFCCVEGCSA-N 274.311 3.787 30 20 CHED CCCCCCCCN1CCN([C@@H](C)C(F)(F)F)CC1 749800781 OCUARENCNUEKMN-AWEZNQCLSA-N 294.405 3.915 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CCCC(F)(F)F 799440968 PJYAXTKGXXBKDQ-UHFFFAOYSA-N 285.265 3.759 30 20 CHED C=CCCCCN(C)Cc1nc([C@H](C)SCC)no1 580933451 MEHQHFVXFFPLCX-LBPRGKRZSA-N 283.441 3.672 30 20 CHED COc1cc(F)ccc1N[C@H](C)CC(C)(C)C#N 695787485 NPMAYSNWRHAQKN-SNVBAGLBSA-N 250.317 3.575 30 20 CHED CCC1(NC(=O)Nc2ccc(F)cc2C#N)CCCC1 1215565728 ZFVBUJQMEISUPL-UHFFFAOYSA-N 275.327 3.542 30 20 CHED COc1ccc([C@H](C)COc2cccc(C#N)c2)cc1 1307283531 PMHVMACCLLWIGN-CYBMUJFWSA-N 267.328 3.749 30 20 CHED CO[C@@H](c1ccccc1)[C@@H](C)Nc1cccc(C#N)c1 1308656291 KQUNZWBCCCBHEK-CXAGYDPISA-N 266.344 3.746 30 20 CHED CCOC(=O)[C@H](Sc1cccc(F)c1C#N)C(C)(C)C 1166247535 VIBAKBYEPHRRHY-ZDUSSCGKSA-N 295.379 3.767 30 20 CHED N#Cc1cc(NC(=O)NC2CC2)ccc1Oc1ccccc1 1310603981 FJUKNQWDPAVVEQ-UHFFFAOYSA-N 293.326 3.634 30 20 CHED CC(C)(CNC(=O)N1CCC[C@H](C#N)C1)C1CCCCC1 1312318706 QDBHQSGXKDRJME-CQSZACIVSA-N 291.439 3.538 30 20 CHED N#CCc1cccc(N[C@@H]2CCCc3ccc(F)cc32)n1 1325020845 QLYHZDCUNDMYNY-MRXNPFEDSA-N 281.334 3.776 30 20 CHED C/C(=C\C(=O)O[C@H](C#N)C1CCCCC1)c1ccco1 1327128931 UOEZSGPYGGEEEH-HBIYDYFMSA-N 273.332 3.699 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 1321576249 LMVRBZQDWVKZSV-NSHDSACASA-N 293.436 3.698 30 20 CHED C=C(CC)C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 1527680565 PXYULWHZDVLIIZ-CQSZACIVSA-N 257.377 3.780 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1323443760 GOALPOUUSVBGEY-IRXDYDNUSA-N 293.451 3.788 30 20 CHED C[C@H]1CCC[C@H](NC(=O)CC#Cc2ccccc2)CC1 1326146761 UMJJMGVKYDNXKO-RDJZCZTQSA-N 269.388 3.513 30 20 CHED CC#CCCCC(=O)Nc1ccn(C2CCCCC2)n1 1320795732 CQUZTZTYURJBBC-UHFFFAOYSA-N 273.380 3.520 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C/c1cscc1Cl 1334242275 CNIVZDCKTFQNOR-NSCUHMNNSA-N 290.731 3.537 30 20 CHED Cc1cccc2oc(C(=O)Nc3ccccc3C#N)cc12 1264116188 YKCJQJXSDKMSQL-UHFFFAOYSA-N 276.295 3.865 30 20 CHED CC[C@@H](C(=O)OCc1ccc(C#N)s1)c1ccccc1 1349866878 FRISAQRWVFVMEC-OAHLLOKOSA-N 285.368 3.857 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](CC)c1ccc(F)cc1 1344520687 XQJFAUFCZIHDOB-CABCVRRESA-N 278.371 3.931 30 20 CHED Cc1cc(C)c(C(=O)O[C@H](C)CC#N)cc1Br 1341932177 ZZHXPFFDUZVWRA-SNVBAGLBSA-N 296.164 3.525 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 1357421980 LYEHCPLCQKRRIR-YEWDVWPNSA-N 298.386 3.722 30 20 CHED C[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1F 1272973000 FVOWXFDYDMWIOX-GFCCVEGCSA-N 282.318 3.634 30 20 CHED C[C@H](CC1CCCC1)C(=O)O[C@H](CC#N)c1ccco1 1350311374 JZIIJPJNXOGNLT-IUODEOHRSA-N 275.348 3.994 30 20 CHED Cc1sccc1NC(=O)c1ccc(Cl)c(C#N)c1 1438366607 XKYDNBLPAWBQRF-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C#CCCCCN[C@H](C)c1ccc(OCCC)cc1 222290239 GJRUOANJDGXKPP-OAHLLOKOSA-N 259.393 3.930 30 20 CHED N#Cc1cccc(COc2ccc(C=O)cc2Cl)c1F 223547929 GIHNKERTHMZJMK-UHFFFAOYSA-N 289.693 3.742 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccsc1C(F)F 1525222595 XTELLOZBCDYKCP-QMMMGPOBSA-N 273.304 3.781 30 20 CHED CC(C)N(CCC#N)C(=O)CC1C2CC3CC(C2)CC1C3 1292362605 LAONNVCBOIZMRR-UHFFFAOYSA-N 288.435 3.599 30 20 CHED C=C(CNC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccccc1 1527982021 ZUWPZGBOILPCFH-CKEIUWERSA-N 271.404 3.888 30 20 CHED C=CC[C@@H]1N(c2nnc(C(F)F)n2CC)CCCC1(C)C 1520827894 LDLMCFCXXOFWBF-NSHDSACASA-N 298.381 3.807 30 20 CHED C#Cc1ccc(N[C@H]2CCC[C@H](CCCC(=O)O)C2)cc1 1602738763 MCESJLXCTHWUKU-WBVHZDCISA-N 285.387 3.894 30 20 CHED CC[C@@H](C)CCNc1ncc(Cl)c(C)c1C#N 1472827584 TWWQAVBZEOUZBS-SECBINFHSA-N 251.761 3.763 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1Nc1cccc(F)c1C#N 1612573430 OGHOWHYAGCLMMJ-SUMWQHHRSA-N 266.319 3.974 30 20 CHED N#Cc1ccc(C(=O)O[C@H](c2ccccc2)C(F)(F)F)o1 1533660349 RJQCMXNXDQFTPV-GFCCVEGCSA-N 295.216 3.612 30 20 CHED CCC[C@@H](CC)C(=O)Nc1ccc(C#N)cc1Cl 1544261314 KFXLXMBLSSLPNY-LLVKDONJSA-N 264.756 3.976 30 20 CHED Cc1ccc2c(c1)CCN2Cc1ccc(F)cc1C#N 1559808865 CDOPBYPUGXMTRD-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1F 1562915712 QCULMMMMGUPYPB-JSGCOSHPSA-N 289.354 3.788 30 20 CHED COc1ccc([C@H](C)Sc2cc(C#N)nc(C)n2)cc1 1639353488 NTKTYQPYFFQAMN-JTQLQIEISA-N 285.372 3.519 30 20 CHED Cc1c(Cl)cnc(N2CCCC(C)(C)CC2)c1C#N 1642339976 PRARQEFQXGLMJJ-UHFFFAOYSA-N 277.799 3.932 30 20 CHED N#Cc1cccc(OCCN2CCCC23CCCCC3)c1 1642307700 OPZDDQZSKSNYBE-UHFFFAOYSA-N 284.403 3.736 30 20 CHED Cc1nocc1CNc1c(C#N)cnc2c(Cl)cccc12 1651315203 KLPBMELHQQTWID-UHFFFAOYSA-N 298.733 3.668 30 20 CHED CCOc1cccc(C(=O)Nc2cc(C)cc(C#N)c2)c1 1597276146 UVWNKGKJLJGFHW-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CC(C)c1cccc(C(=O)/C=C/c2cc(C(=O)O)co2)c1 1776375505 VGLBQXJOLCYGEY-VOTSOKGWSA-N 284.311 3.997 30 20 CHED CC(/C=C\C(=O)c1cncc(C(=O)O)c1)=C/c1ccccc1 1776398819 KOWBHKBHTGGDIE-VBKTUFRMSA-N 293.322 3.622 30 20 CHED Cc1ccc(C=NNc2cccc(Cl)c2)cc1C(=O)O 1776032779 RJXCMNCEUBNBKQ-UHFFFAOYSA-N 288.734 3.793 30 20 CHED N#Cc1cc(F)ccc1NC(=O)Cc1ccc(Cl)cc1 135155032 YIBSOZJEFNMWRL-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C=CCN(C)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 161553976 YHFRVMGDNZZXPC-UHFFFAOYSA-N 286.762 3.660 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1 160594923 YRPOOSKSXSYRPU-SJORKVTESA-N 293.370 3.594 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(-c2ncco2)c1 152413479 VLKUTHQLWLBUEM-UHFFFAOYSA-N 285.347 3.772 30 20 CHED C=CCc1cc(CN2CCCCCC2)cc(OC)c1O 157373443 CPXSHMBVFUMANW-UHFFFAOYSA-N 275.392 3.505 30 20 CHED CC1(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CCC1 157964967 XFGYRNPVDLINPS-NSHDSACASA-N 297.185 3.864 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCSC)cc1 154819044 IUGAVICTXMXCEZ-LBPRGKRZSA-N 285.840 3.832 30 20 CHED N#Cc1ccccc1C[S@@](=O)c1ccc(F)c(Cl)c1 126893675 QFWNYINDGXJHGW-IBGZPJMESA-N 293.750 3.659 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)c(OC)c1 233923107 ZAVLLTMRKVVFCP-GDBMZVCRSA-N 272.392 3.625 30 20 CHED N#Cc1ccnc(N2CCCc3ccccc3C2)c1Cl 236029161 HAPLDQYNNYUHIZ-UHFFFAOYSA-N 283.762 3.559 30 20 CHED N#Cc1ccnc(COc2ccc(Cl)c(Cl)c2)c1 1164573006 QTORXVUEZSTBQH-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CC(=O)c1ccc(OCc2cccc(C#N)c2)c(Cl)c1 128498698 NIXNJUIUDFXQPV-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CCC1(CC)CCC(Nc2cncc(C#N)n2)CC1 1307110088 QKBSQWCEFGHNSG-UHFFFAOYSA-N 258.369 3.509 30 20 CHED C#CCCCCN[C@H](C)c1ccc(OC(F)F)cc1 130694482 PXGGLTNIZLWYDU-GFCCVEGCSA-N 267.319 3.742 30 20 CHED N#Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1Cl 37389968 GBJCJALAALGIPG-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 40352531 MPNQYYNJYWAATA-NUEKZKHPSA-N 272.392 3.625 30 20 CHED CC(C)(C#N)CCOc1cc(F)c(Cl)cc1[N+](=O)[O-] 295413306 SWLLGWAOVIGCIU-UHFFFAOYSA-N 286.690 3.706 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(O)c(C)c1 353906052 OAVOALXYICDKFK-UHFFFAOYSA-N 281.355 3.529 30 20 CHED CC(C)O[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 404674971 FAAUWJHPGVNFBK-AWEZNQCLSA-N 278.783 3.605 30 20 CHED N#Cc1ccc(CNCc2cc(Cl)cs2)cc1F 404854595 SLSGCDDIVAMCAN-UHFFFAOYSA-N 280.755 3.702 30 20 CHED C=CCCN(C)Cc1ccc(F)c(Br)c1 606897049 JCUFZOKQYMRPBT-UHFFFAOYSA-N 272.161 3.596 30 20 CHED CC[C@H](CNc1ncc(C#N)cc1Cl)CC(F)(F)F 413517658 HPQUOARBTYMURX-QMMMGPOBSA-N 291.704 3.997 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@H]1CCC(C)(C)C1 619515305 SJBOPCXMZMCFRW-INIZCTEOSA-N 256.393 3.877 30 20 CHED C[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C1 429573277 YTSAYGHJTQMUBD-RISCZKNCSA-N 262.784 3.832 30 20 CHED C[C@@H](CNc1ncc(C#N)cc1Cl)c1ccccc1 542524249 RCYTYSFPWFIRNK-NSHDSACASA-N 271.751 3.822 30 20 CHED CCN(Cc1ccccc1)c1ncc(C#N)cc1Cl 358868392 BIYBVNRYGDAHNJ-UHFFFAOYSA-N 271.751 3.633 30 20 CHED CCOc1cc(C#N)ccc1OCc1ncccc1Cl 703859712 MHZSOQIKZZJPPI-UHFFFAOYSA-N 288.734 3.584 30 20 CHED N#Cc1ccc(NCC2CC(F)(F)C2)c(Cl)c1 383140677 FIRRNDGRJDTJSD-UHFFFAOYSA-N 256.683 3.669 30 20 CHED C#Cc1cccc(NC(=O)C(C2CCC2)C2CCC2)c1 383603926 VYWOHPNVVJFQML-UHFFFAOYSA-N 267.372 3.823 30 20 CHED C=CCCOC(=O)c1cc2c(F)cccc2s1 729072247 CCEAYQNGGTZAGN-UHFFFAOYSA-N 250.294 3.773 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](C)C[C@H](CO)C1 398810410 PFBFDOXUQDCFBO-HOTGVXAUSA-N 283.456 3.604 30 20 CHED Cc1cccc(NCc2ccc(CC#N)cc2)c1F 398960263 LZSGEOQMMYKLOO-UHFFFAOYSA-N 254.308 3.812 30 20 CHED N#C[C@@H](NC(=O)[C@@H]1CC12CCCCC2)C1CCCCC1 532418488 ILUUMXXHILTONJ-LSDHHAIUSA-N 274.408 3.545 30 20 CHED COc1ccc(C#N)cc1NC(=O)NCCC1=CCCCC1 50092486 BPZLPWTUDFRLJG-UHFFFAOYSA-N 299.374 3.579 30 20 CHED C=CCN(CCCOCC(F)(F)F)Cc1cccs1 53702084 UKSVNXXNUGXEKA-UHFFFAOYSA-N 293.354 3.705 30 20 CHED C=CC[C@H](C)NC(=O)c1occc1COc1ccccc1 116859766 TUEMSAOMQPCBTR-ZDUSSCGKSA-N 285.343 3.553 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C 179640837 LILALAZVMTVZIR-WMLDXEAASA-N 284.403 3.694 30 20 CHED Cc1ncc(CN(C)c2ccc3cc(C#N)ccc3n2)s1 179890442 OQRTYPFIVPXGHY-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1F)c1ccccc1 108797894 YIBORNCZNPBUMN-GUYCJALGSA-N 296.345 3.700 30 20 CHED CC(C)(CNC(=O)c1cc(C#N)cs1)C1CCCC1 178891776 RJHCITKXFNPLLA-UHFFFAOYSA-N 276.405 3.566 30 20 CHED Cc1ccc(CN(C(=O)c2ccc(C#N)cc2)C(C)C)s1 57400295 UPCBTOHVIXPGCG-UHFFFAOYSA-N 298.411 3.979 30 20 CHED CCCCCCCC(=O)N1CC[C@H](CN2CCCCC2)C1 174540211 YRYABIQBUBQNNL-QGZVFWFLSA-N 294.483 3.681 30 20 CHED C#CCCCCC(=O)Oc1ccccc1Br 119514783 PUVPIKGKULVEPU-UHFFFAOYSA-N 281.149 3.548 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1sc(Cl)nc1C 177781138 RORDRRPXHJLSGJ-UHFFFAOYSA-N 291.763 3.537 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc(Cl)c(Cl)c2)C1 179927013 NAJQCBDTWZTUTL-SCZZXKLOSA-N 284.142 3.842 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)[C@@H](C)CC 181006185 JQWGTPHKDALCEM-STQMWFEESA-N 252.402 3.647 30 20 CHED C#CCCCCC(=O)N1CCC(Cc2ccccc2)CC1 179612427 RMIGKRSSTACNQB-UHFFFAOYSA-N 283.415 3.661 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCc2sccc2C1 186522273 FVVVSVJAUPGLGD-UHFFFAOYSA-N 288.803 3.831 30 20 CHED CC(C)(C)[C@@H](Nc1ccc(C#N)nn1)c1cccc(F)c1 301913030 CJFWGBIZCQYZJB-HNNXBMFYSA-N 284.338 3.687 30 20 CHED CC(C)N(CCOc1cccc(C#N)c1)C1CCCC1 110789965 WYHIHLKAJFAVDO-UHFFFAOYSA-N 272.392 3.590 30 20 CHED C#CCN(C(=S)Nc1ccccc1F)C1CCCCC1 65705068 FKVMHSWIJFLZJO-UHFFFAOYSA-N 290.407 3.790 30 20 CHED COCc1ccccc1CN[C@H](C)c1cccc(C#N)c1 37762844 BRMWXKXLTDUFIJ-CQSZACIVSA-N 280.371 3.555 30 20 CHED C[C@@H]1CCC[C@H](Nc2snc(Cl)c2C#N)[C@@H]1C 301536689 MWGGPBOHAWTQLO-MRTMQBJTSA-N 269.801 3.905 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccnc2ccccc12 179795840 DBWPBLQSSNPYBX-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1c(F)cccc1Cl 175025431 UXNBFNLFMMBRGI-MNOVXSKESA-N 279.746 3.573 30 20 CHED CCN(C(=O)c1ccc(C)s1)c1ccc(C#N)cc1 174074385 KTETZJAENGLQOW-UHFFFAOYSA-N 270.357 3.595 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2cccc(CC#N)c2)c1 172445872 VDHODWZYAVOUMP-UHFFFAOYSA-N 292.382 3.726 30 20 CHED C#Cc1cccc(N(C)Cc2ccccc2OC(F)F)c1 303190421 MBICPYWVZMJVGN-UHFFFAOYSA-N 287.309 3.906 30 20 CHED CCN(C(=O)c1csnc1C)[C@@H](C)c1ccc(C#N)cc1 179677474 GYMVKVUFZMSGFL-LBPRGKRZSA-N 299.399 3.547 30 20 CHED N#CC1(c2ccccc2)CC(NCCCOC2CCCC2)C1 126455862 QVZDWRRQRBEPSC-UHFFFAOYSA-N 298.430 3.549 30 20 CHED C=C[C@@H](CC(=O)NCCCOCC(C)C)c1ccccc1 124957251 NZOHQMWZHKXLQC-INIZCTEOSA-N 289.419 3.525 30 20 CHED CC(C)[C@H]1OCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 178693125 HSNYGWUCWQHUMN-JCGIZDLHSA-N 286.419 3.660 30 20 CHED CCc1ccc(N/C(N)=N\Cc2ccc(CC)s2)cc1 303887413 KVRWFPIAYSKSHU-UHFFFAOYSA-N 287.432 3.800 30 20 CHED COc1ccc(-c2nnc(SCCCCC#N)o2)cc1 129010485 ILRWOCCIHHXDFZ-UHFFFAOYSA-N 289.360 3.531 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N[C@H](C#N)C(C)(C)C 122232828 SGQCGWAKRBGMBG-UKRRQHHQSA-N 272.392 3.543 30 20 CHED N#CCCCCSc1nc(C2CC2)n(-c2ccccc2)n1 120827469 MJUAIQQREIHMSN-UHFFFAOYSA-N 298.415 3.931 30 20 CHED CC[C@](C)(NCC#Cc1ccc(F)cc1)c1nccs1 125455428 IFTQNOMUFAMOMA-INIZCTEOSA-N 288.391 3.549 30 20 CHED CCN(Cc1cc(F)ccc1C#N)c1ccccc1 229957868 YXJZBSKUMFUTRJ-UHFFFAOYSA-N 254.308 3.724 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(SCC)c1 188815347 BRICMCHZNWWYNG-MRXNPFEDSA-N 293.432 3.966 30 20 CHED C=CCNc1nnc(SCc2ccc(F)c(F)c2)s1 72614463 GESRBPXHWYNDHA-UHFFFAOYSA-N 299.371 3.707 30 20 CHED C[C@H](CCOc1ccccc1)C(=O)Oc1ccc(C#N)cc1 75025346 PZEVUIFVXRPATP-CQSZACIVSA-N 295.338 3.569 30 20 CHED CC(=O)Nc1ccccc1CNc1ccc(Cl)cc1C#N 78377317 NTTBXEJJAAJDKX-UHFFFAOYSA-N 299.761 3.782 30 20 CHED CC(=O)c1ccccc1OCCCOc1cccc(C#N)c1 128226115 QDKDFYNMCDKIJG-UHFFFAOYSA-N 295.338 3.609 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 506634877 UJWQJJYXCIGPOJ-OAHLLOKOSA-N 292.382 3.974 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H](C)C1CCCC1 180205333 CYUILZRJVPCMLS-CHWSQXEVSA-N 258.365 3.968 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(C#N)cn2)C1 78450594 YXTPNQZBXLEJOA-LRDDRELGSA-N 281.334 3.680 30 20 CHED C[C@H](CCCc1cccnc1)Nc1ccc(F)cc1C#N 413395450 NRZSNQRRUBZKFZ-CYBMUJFWSA-N 283.350 3.916 30 20 CHED CCc1ccc(CN(CCCSCC#N)C2CC2)cc1 74981609 ZFWONHDOMFZTRN-UHFFFAOYSA-N 288.460 3.860 30 20 CHED CCCOc1ccc(CN(CC)CCC#N)cc1OCC 127637265 PXGOJDFJXDOWFL-UHFFFAOYSA-N 290.407 3.610 30 20 CHED CCC(C)(C)c1ccc(COc2cnc(C#N)nc2)cc1 506440776 XWPBXYTXDIBRHT-UHFFFAOYSA-N 281.359 3.615 30 20 CHED C=CCC1(C(=O)Nc2ccc3oc(N(C)C)nc3c2)CCC1 189499915 UXROAPDBHZDDKD-UHFFFAOYSA-N 299.374 3.579 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NC[C@H]1CC12CC2 418993803 PSCFZZXTRLIRMB-SNVBAGLBSA-N 285.297 3.597 30 20 CHED C=CC[C@H](C(=O)NCC(C)(C)SC)c1ccccc1 188356253 KOUOVMLOJWIYSH-AWEZNQCLSA-N 277.433 3.604 30 20 CHED C=CCC[C@@H](C(=O)N(C)Cc1cccnc1)c1ccccc1 187461353 WVJHQFNUTWHKRD-GOSISDBHSA-N 294.398 3.790 30 20 CHED COC(=O)C[C@@H](C)SCc1ccccc1C(C)(C)C#N 120671830 FXAZCNFOPJJTBR-GFCCVEGCSA-N 291.416 3.673 30 20 CHED Cc1cc(F)cc2c1CN(Cc1ccc(CC#N)cc1)CC2 502955235 CETWJDWBOKZJDI-UHFFFAOYSA-N 294.373 3.759 30 20 CHED C=C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c2ncccc12 413277146 ZXGGALILJBFUOF-GFCCVEGCSA-N 283.331 3.688 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C#N)ccc1OC(C)C 183328476 NRFYEHJJCASNOV-OLZOCXBDSA-N 288.391 3.966 30 20 CHED CCOCCN(CCCCC#N)c1ccc(Cl)cc1 412052257 BWTVTTDINCLDSF-UHFFFAOYSA-N 280.799 3.877 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(C1CC1)C1(C#N)CCC1 410751532 XFUVKZCQYPGOIS-HIFRSBDPSA-N 274.408 3.640 30 20 CHED CC(C)CC[C@H](C)NC(=O)CSc1ccc(C#N)cc1 75465433 HSVCDQLFEOKENC-ZDUSSCGKSA-N 290.432 3.591 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(C)C)nc1C 410775429 LNLHRSAODKTLBT-CQSZACIVSA-N 272.392 3.694 30 20 CHED CC(C)CC(CC(C)C)NC(=O)Cc1ccc(C#N)cc1 504612606 HNWKJZJVCWCOGI-UHFFFAOYSA-N 286.419 3.678 30 20 CHED Cc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1N(C)C 185739931 MLPRAZWPEWPPCQ-KBPBESRZSA-N 257.381 3.555 30 20 CHED N#Cc1ccc(CNc2nccc3sccc23)s1 185744470 KQMXNCODLLMLBT-UHFFFAOYSA-N 271.370 3.842 30 20 CHED CS[C@@H](C)CCC(=O)Nc1ccc(Cl)cc1CC#N 410972674 USJYCYPZSVGCFA-JTQLQIEISA-N 296.823 3.876 30 20 CHED C=CCNC(=O)NCc1ccccc1Sc1ccccc1 504145114 JBLVOBOHWUCLTD-UHFFFAOYSA-N 298.411 3.823 30 20 CHED CCC[C@@H]1CCc2nc(N=C(O)[C@H]3CCCO3)sc2C1 328777103 LHWISLXOUOMIEH-ZYHUDNBSSA-N 294.420 3.815 30 20 CHED CC1CCC(N(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 47051868 HVXOAVPWFCZWQH-XOYHFGRZSA-N 299.418 3.839 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)Sc1ccccc1Cl 84710400 LJUPQXQZEGWXFL-UWVGGRQHSA-N 283.780 3.666 30 20 CHED COc1cccc(/C=N/[C@@H]2C[C@H]2c2cccc(F)c2)c1O 193257496 PJSRMJKIGZGVDQ-KDARVREZSA-N 285.318 3.515 30 20 CHED COc1cc(NCCC(C)(C)C#N)c(OC)cc1Cl 87590886 JWFKCYHGFAFFSA-UHFFFAOYSA-N 282.771 3.709 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)CCc1ccco1 45054107 XENAFUAQKHAEAY-CQSZACIVSA-N 299.370 3.596 30 20 CHED CC(C)CCOC1CCN(c2cccc(F)c2C#N)CC1 194031671 YFESZIWGAOROBS-UHFFFAOYSA-N 290.382 3.729 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 424891905 MOYGONFRFDIRST-RPVQJOFSSA-N 296.414 3.878 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2csc(Cl)c2)n1 191371860 DGPHJZKRDKGABH-MRVPVSSYSA-N 282.777 3.657 30 20 CHED Cc1c(NC(=O)CC2CCC(C)CC2)ccc(C#N)c1C#N 421559226 OEGFAQSOLKUZBQ-UHFFFAOYSA-N 295.386 3.893 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1CCCCC#N 421027791 VNQYCKCHNFQNJW-MRXNPFEDSA-N 256.393 3.948 30 20 CHED CC(C)(C#N)CCCOc1ccccc1NC(=O)C1CC1 135504505 WTLAZJDIGWXKGI-UHFFFAOYSA-N 286.375 3.744 30 20 CHED COc1cc(/C=C/C(=O)c2sccc2OC)ccc1C 193150393 GNKZUNYWOGTOCV-VOTSOKGWSA-N 288.368 3.970 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cccc(SC)n2)no1 420527067 IIGMDVWDNAZHKL-AWEZNQCLSA-N 275.377 3.707 30 20 CHED C=C(C)CNCc1ccc(Br)cc1Cl 160300348 ZLWPKOQUVQRUPR-UHFFFAOYSA-N 274.589 3.768 30 20 CHED Cc1[nH]c2c(C(=O)[C@@H](C#N)c3ccccn3)cccc2c1C 41481461 UHKPERJQOFUEMF-HNNXBMFYSA-N 289.338 3.670 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C2CCCC2)C2CC2)cc1 130214224 DBERUJTXALVZII-CQSZACIVSA-N 284.403 3.884 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc2[nH]c(C)cc2c1 512195521 JOAXMXOOZIYLHK-MRXNPFEDSA-N 297.402 3.726 30 20 CHED CN(C(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1F 335834105 BROMJPGMXPPRMN-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(C#N)c(C#N)c1C 421562421 VILNRIWEHCPOIK-ZDUSSCGKSA-N 283.375 3.893 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)ccc1F 511178572 ZSNDWKOMKNSFKG-UHFFFAOYSA-N 288.709 3.912 30 20 CHED COc1cc(SC)ccc1N=C(O)NC1(C)CCCC1 331333977 WKASVVYDTWLUMT-UHFFFAOYSA-N 294.420 3.885 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)OCc1ccccc1 90585124 STKPRFZJHZOQLK-CQSZACIVSA-N 266.344 3.683 30 20 CHED Cc1c(C(=O)N(CCC#N)CCC(C)C)ccn1C(C)C 339928994 IXHDHAVCQIJLAJ-UHFFFAOYSA-N 289.423 3.779 30 20 CHED C=CC1CCN(C(=O)Nc2cc(OC)c(C)cc2C)CC1 336312477 AYXOUROUUWMYGJ-UHFFFAOYSA-N 288.391 3.742 30 20 CHED CCCCOc1ccc(CN(C)[C@@H](C)CC#N)cc1OC 93090916 FQKKQCWUKTUBQY-AWEZNQCLSA-N 290.407 3.608 30 20 CHED CCC(=O)c1cccc(N=C(O)NC2(C)CCCC2)c1 331211421 IZPGUEZXWVIALA-UHFFFAOYSA-N 274.364 3.747 30 20 CHED C=CCOc1ccccc1CN=c1[nH]c2cc(C)ccc2o1 513749061 NLMIXAILUFMSJT-UHFFFAOYSA-N 294.354 3.735 30 20 CHED C=CCc1cc(CN[C@@H]2CC[C@H](C)C2)cc(OC)c1OC 237197636 HVCKCLWMCMAJRW-XJKSGUPXSA-N 289.419 3.711 30 20 CHED CCc1ccc(C2=CCN(c3ncccc3C#N)CC2)cc1 92948685 OQHRUYGBEGGLBI-UHFFFAOYSA-N 289.382 3.809 30 20 CHED CC#CCN(C)C(=O)c1sc(C2CCCCC2)nc1C 515700519 YWPYNASLZDBFTB-UHFFFAOYSA-N 290.432 3.595 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)Cc1cccc(C)c1 338860257 MTKFYYPAXTWRGX-UHFFFAOYSA-N 296.418 3.676 30 20 CHED C=CCNC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 91033036 QTWLDIMLKCSGBU-UHFFFAOYSA-N 294.354 3.596 30 20 CHED Cc1cc(F)cc2c1CN(Cc1ccc(C#N)cc1)CC2 337447557 JFYHXJLZPLHSQJ-UHFFFAOYSA-N 280.346 3.564 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 334167502 AUQVJWUZSKABDB-INIZCTEOSA-N 291.354 3.580 30 20 CHED N#CCc1ccccc1NC(=O)c1cc2c(s1)CCCC2 334405340 PWRORGIREHZDFE-UHFFFAOYSA-N 296.395 3.945 30 20 CHED N#CC1(/N=C(/O)[C@@H]2CC(=O)c3ccccc32)CCCCC1 330009808 GNJCFSBERUNISD-CQSZACIVSA-N 282.343 3.540 30 20 CHED CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCC(C)(C)C1 432056584 DAGFYCKDCXFZIH-CYBMUJFWSA-N 289.354 3.740 30 20 CHED C[C@@]1(CNc2cccnc2C#N)C[C@@H]1c1ccccc1 338743719 RJBNOUKFEDEXIK-PBHICJAKSA-N 263.344 3.559 30 20 CHED C[C@H](CC1CCCCC1)/N=C(/O)C(=O)c1ccc(O)cc1 331243242 RHAXWXQTVUFLJE-GFCCVEGCSA-N 289.375 3.890 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)c1nccc(C#N)c1Cl 235564302 HEVMCAQMWUDDQT-JQWIXIFHSA-N 263.772 3.622 30 20 CHED COCC[C@H](Nc1ccc(C#N)cc1F)c1ccc(C)o1 349629910 JLUWFUKHJXZPJF-HNNXBMFYSA-N 288.322 3.789 30 20 CHED C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 248850165 FDJGMLRFLWQJAK-QEWYBTABSA-N 297.402 3.699 30 20 CHED Cc1ccnc(NCc2ccc(C(C)(F)F)cc2)c1C#N 432158333 VRKHLXXSCNHGBQ-UHFFFAOYSA-N 287.313 3.986 30 20 CHED C#Cc1cccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 246437639 LSBDPDOOSVWNED-FRFSOERESA-N 282.387 3.853 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@H]1c1ccccc1 436307792 LLAIKLDQXLUVHA-XWSJACJDSA-N 285.431 3.894 30 20 CHED N#CC1(NC(=O)c2cccc(Oc3ccccc3)c2)CCC1 340638049 NVWJPCIWGKLFFC-UHFFFAOYSA-N 292.338 3.655 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc(C(C)C)nc2)no1 347157375 ZIKNFGZWCBTAMC-ZFWWWQNUSA-N 299.374 3.704 30 20 CHED N#Cc1ccc(COc2ccc3c(c2F)CCC3=O)cc1F 344591267 ZCWHDKZUFWHEMU-UHFFFAOYSA-N 299.276 3.544 30 20 CHED CC1(CNC(=O)C2(C#N)CCCCC2)CCCCCC1 538439310 STWKTFDHVPHMJW-UHFFFAOYSA-N 276.424 3.937 30 20 CHED C=CCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 437296190 WTUFPTOOMYVXHF-GXFFZTMASA-N 284.186 3.932 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccsc1 346903346 VTFGPLHBMNCVOD-NSHDSACASA-N 299.399 3.794 30 20 CHED C[C@@H](CCC#N)CNCCc1cccc(Br)c1 602689449 UIPFKQWFBKAMNG-LBPRGKRZSA-N 295.224 3.521 30 20 CHED CC(C)[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)c2ccccc21 600416432 YCIOUGXODXQGIR-HOTGVXAUSA-N 293.370 3.501 30 20 CHED C=C(C)CN(C)C(=O)c1cn(CCCC#N)c2ccccc12 346618287 PMZYTERAMPPHOQ-UHFFFAOYSA-N 295.386 3.593 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@H](C)Cc2ccccc2C)n1 528907200 GSQAOZQMJIUYLA-IUODEOHRSA-N 298.411 3.815 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H](C)c1cccs1 346912021 DEMKAWVYMGLNCX-LLVKDONJSA-N 299.399 3.794 30 20 CHED C=CCn1cccc1-c1nc([C@@H](C)c2cccs2)no1 346605021 LCZUCSRYUVUCMU-NSHDSACASA-N 285.372 3.937 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)c2cnccc2C#N)CC(C)(C)C1 345391579 PBAGOJYZSBMYEC-KGLIPLIRSA-N 299.418 3.536 30 20 CHED Cc1cccc(Oc2ccccc2CNC(=O)[C@H](C)C#N)c1 347144583 XSEDXYKWFSKLAH-CQSZACIVSA-N 294.354 3.563 30 20 CHED CC[C@@H](c1ccc(F)cc1)N1CCC(C#N)(COC)CC1 341975010 ISXQPKMWBFRXFQ-INIZCTEOSA-N 290.382 3.529 30 20 CHED Cc1ccnc(N2CC[C@@H](c3c(F)cccc3F)C2)c1C#N 346240692 PXERCCZTQGZVIV-GFCCVEGCSA-N 299.324 3.534 30 20 CHED CC1(C#N)CCC(NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CC1 449187768 MWWDWOZAEPSBJT-NBUSEHONSA-N 280.415 3.634 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1C[C@H]1c1ccccc1 342473995 LUZUFYMZFMISSB-ROUUACIJSA-N 298.430 3.969 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(O)c(C)c2)c1 255886444 ODDDFGFOACKPTB-UHFFFAOYSA-N 271.316 3.556 30 20 CHED CCN(CCC1CC1)C(=O)N[C@H](CCC#N)c1ccccc1 355182538 QVPQQHRXRDEONQ-QGZVFWFLSA-N 299.418 3.863 30 20 CHED Cc1cc(N[C@@H](C)CC2(C#N)CCOCC2)ccc1F 602493309 SLCQHUBFPFJTGS-ZDUSSCGKSA-N 276.355 3.645 30 20 CHED N#CC[C@@H]1CCCN(Cc2c(F)ccc(F)c2Cl)C1 600177798 MLWMLUZYFWYDJZ-JTQLQIEISA-N 284.737 3.744 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccc(F)cc2)CC1 353605472 QORCTNBHPDUOBI-UHFFFAOYSA-N 261.340 3.531 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCCc3ccc(F)cc32)C1 355476568 UISDPBRLRHYIIJ-PVUWLOKVSA-N 272.367 3.875 30 20 CHED Cc1ccc([C@@H](C)CN2CCC[C@@H](CC#N)C2)cc1 600176788 GQYRCCXUYBGLNX-HOTGVXAUSA-N 256.393 3.724 30 20 CHED N#Cc1cccc(CNc2ccc(N3CCCCC3)nc2)c1 269429607 PCEKJEGKBSGTBT-UHFFFAOYSA-N 292.386 3.556 30 20 CHED Cc1ccc(C(=O)N(C2CC2)[C@@H](C)C#N)cc1C(F)(F)F 600097974 HKZLUVXWWVDJFS-JTQLQIEISA-N 296.292 3.531 30 20 CHED C=CCC1(C(=O)N2CCC(OC(C)(C)C)CC2)CCC1 357777179 DJCLPRFRBHCTPJ-UHFFFAOYSA-N 279.424 3.539 30 20 CHED C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)CC12CCC2 357018621 ALNKNPJVSKBMBN-ZDUSSCGKSA-N 272.367 3.709 30 20 CHED C=CCCC1(C(=O)Nc2ncc(-c3ccccn3)s2)CC1 359398083 YWRQRJITHGAVOX-UHFFFAOYSA-N 299.399 3.890 30 20 CHED C=CC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1 616988429 RWVNBFNMBBYJID-UHFFFAOYSA-N 272.175 3.822 30 20 CHED Cc1cc(C2CCN(CCCCC(C)(C)C#N)CC2)n[nH]1 444667984 BDHBIVNOKABJNK-UHFFFAOYSA-N 288.439 3.618 30 20 CHED N#Cc1cccc(Oc2ccc(-c3cscn3)cc2)n1 611116186 VLZCNTYCFRMYKA-UHFFFAOYSA-N 279.324 3.869 30 20 CHED C[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)[C@@H]1C 610588354 FBCAWNXVHVZVDJ-NXEZZACHSA-N 287.313 3.619 30 20 CHED N#Cc1ccncc1NCCCc1ccc(Cl)cc1 354574679 WAWZCUDLAXRYTF-UHFFFAOYSA-N 271.751 3.651 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(-c2cnco2)c1 614132600 JLVNRPZEDRTFAU-OAHLLOKOSA-N 282.343 3.522 30 20 CHED CC[C@@H](NC[C@H]1CC=CCC1)c1ccc(C#N)cc1 447564823 ZGJXTCVDDMAYME-DOTOQJQBSA-N 254.377 3.955 30 20 CHED CO[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 353262772 IXUYPCNYZJBNOG-OALUTQOASA-N 292.382 3.523 30 20 CHED COc1c(C)cc(C(=O)Nc2ccc(F)c(C#N)c2)cc1C 358410118 UIBZDEVTIUYMMX-UHFFFAOYSA-N 298.317 3.575 30 20 CHED N#Cc1ncccc1NCc1csc2ccccc12 357176587 SWHJPNWQGRKBMF-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2csc(CC)n2)CC1 356018343 YMCKAFCNYWQCGK-NSHDSACASA-N 278.421 3.629 30 20 CHED CC(C)CC1(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CCC1 618785109 YINRXQJNCLZVRJ-KRWDZBQOSA-N 296.414 3.878 30 20 CHED C=CCCC1(C(=O)NCc2ccc(CC)s2)CC1 354592049 HQRCLDIHXACNRV-UHFFFAOYSA-N 263.406 3.673 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(Oc2ccccc2F)CC1 441290735 PTZIRQWOACIHAS-CYBMUJFWSA-N 291.366 3.598 30 20 CHED CC(C)(C)CNc1c(C#N)cnc2c(F)cc(F)cc12 352323572 CIXLRXPGZBRZPE-UHFFFAOYSA-N 275.302 3.843 30 20 CHED C=CCN(C(=O)c1cccc(C2CCC2)c1)[C@@H](C)COC 617582561 PPZGHXBCQJWRHS-AWEZNQCLSA-N 287.403 3.617 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2nccc(C)c2c1 355552088 YWCAKPSSKBMEGW-HNNXBMFYSA-N 280.371 3.724 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccccc1Cl 618740995 BEWYDBWMSVGOQD-QGZVFWFLSA-N 282.774 3.989 30 20 CHED N#Cc1ccc(NCc2ccc(C#N)c(Cl)c2)cc1 619747106 CLPOPPMSSVCZRK-UHFFFAOYSA-N 267.719 3.695 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(-c2ccncc2)cc1 453352593 JSGVGIWPBLPIGS-KYNGSXCRSA-N 294.398 3.743 30 20 CHED CCC[C@@H](C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 610330943 KJMZEONVBRWNHX-SECBINFHSA-N 299.296 3.887 30 20 CHED CCCCN(CC)C(=O)NCc1ccc(C#N)c(Cl)c1 619768589 AYXUNJHSBSMFJS-UHFFFAOYSA-N 293.798 3.543 30 20 CHED C=CCC1(NC(=O)[C@@H](OC)c2ccccc2)CCCCC1 456363090 IGXPNOPAYATGBI-INIZCTEOSA-N 287.403 3.769 30 20 CHED C=CCC1(C(=O)NCCCC(F)(F)F)CCCCC1 450004833 SWPRERLSPUBAHS-UHFFFAOYSA-N 277.330 3.972 30 20 CHED Cc1cnc([C@H](C)CNc2cccc(F)c2C#N)s1 273334089 ROFJIKRCLWFDSI-SECBINFHSA-N 275.352 3.678 30 20 CHED Cc1ccccc1-n1c(C)nnc1S[C@H]1CC[C@H](C#N)C1 278588138 PMVJEIZOFZJSCH-KBPBESRZSA-N 298.415 3.669 30 20 CHED C=C(C)CCNC(=O)[C@H](C)CSCc1ccccc1 452717765 MXAWROSJQWMMFM-CQSZACIVSA-N 277.433 3.638 30 20 CHED C=CCN(c1ncnc2ccc(SC)cc12)C1CC1 361061062 YIGPFNPKKFVTOQ-UHFFFAOYSA-N 271.389 3.507 30 20 CHED C=CCC1(C(=O)N(C)Cc2occc2C)CCCC1 452120888 JQROTZSYUNLYAF-UHFFFAOYSA-N 261.365 3.683 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 274581616 CPMFVHYYMQJMQN-XLNGHYISSA-N 254.377 3.605 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 369907611 FEJQIGBAYXLZAS-MAUKXSAKSA-N 299.414 3.798 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@@](C)(C#N)CCc2ccccc2)C1 542896561 VZIAVXXYJCJDBJ-VQIMIIECSA-N 298.430 3.844 30 20 CHED N#Cc1cccnc1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 366641487 CCYFQEHHYBWHGQ-NNUKFRKNSA-N 285.297 3.590 30 20 CHED C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2)CC[C@H]1C 544545364 ITXMVGLFAUPXJA-WWGRRREGSA-N 285.391 3.699 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 620858329 DXCXBZQGBWDYRQ-GXTWGEPZSA-N 293.357 3.929 30 20 CHED COc1cc(C#N)ccc1CN1C[C@H](C)[C@@H]2CCCC[C@H]21 542968350 ZRXOZPFECKPEBO-RRQGHBQHSA-N 284.403 3.577 30 20 CHED Cc1cc2occ(C(=O)N(CCC#N)C(C)C)c2cc1C 548102276 PTOVSKIYMBMDSR-UHFFFAOYSA-N 284.359 3.814 30 20 CHED C=C(Cl)CN[C@H](C)c1nc2ccccc2n1C(F)F 271797403 XGWWXUHPIIHKGT-SECBINFHSA-N 285.725 3.835 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2ccc(Cl)cc2C1 466378029 XMHRYLFUSXMKSQ-HNNXBMFYSA-N 292.810 3.762 30 20 CHED N#CCC(=O)N(Cc1ccccc1Cl)C1CCCC1 274717240 BJGSMHMZKFRAGY-UHFFFAOYSA-N 276.767 3.525 30 20 CHED C=C(C)[C@@H](CC(=O)NCC(C)(C)c1cccs1)OCC 270009902 AKANJVZHSNPYQH-CYBMUJFWSA-N 295.448 3.513 30 20 CHED C=CCC(C)(C)C(=O)N1CCOc2ccccc2[C@H]1C 622988886 ZMHSVKMJZNXOGM-CYBMUJFWSA-N 273.376 3.571 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)cc(Cl)c1 620326375 NQDZTVYCMRPYBS-UHFFFAOYSA-N 274.147 3.525 30 20 CHED C=CCCN(C)C(=O)[C@@H](CC(C)C)c1ccccc1 467057497 MDEPROHEWHKEPG-INIZCTEOSA-N 259.393 3.851 30 20 CHED C=CCOc1ccccc1C(=O)N1CCc2ccc(C)cc21 621980543 BFYWXWQXLRMBDB-UHFFFAOYSA-N 293.366 3.763 30 20 CHED N#Cc1cccc(NC(=O)N2CCc3c(Cl)cccc32)c1 464908626 KAVXFWZDECFABW-UHFFFAOYSA-N 297.745 3.806 30 20 CHED Cc1nc(N2CC[C@@H](C)C3(CCC3)C2)c(Cl)cc1C#N 461940554 KPVACPLTMOCMLU-LLVKDONJSA-N 289.810 3.932 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@H]2CCC[C@H](OC)C2)c1 280498545 KUGJKQVWBSBHNP-WMZOPIPTSA-N 299.414 3.616 30 20 CHED C[C@@H](N=c1ccc2ccc(F)cc2[nH]1)c1ccc(C#N)cc1 462090885 KUDAIWAOQAETJD-GFCCVEGCSA-N 291.329 3.841 30 20 CHED CSCC(C)(C)C(=O)Nc1ccc(C#N)c(Cl)c1 282603749 QQBOXHJXIDLVND-UHFFFAOYSA-N 282.796 3.539 30 20 CHED C=C1CCN(Cc2ccc(OC)cc2Br)CC1 554853093 JSKZYJBZJGCAKL-UHFFFAOYSA-N 296.208 3.610 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(OC)c(C)cc1C 280599537 WQCPAUWWSMLTKT-UHFFFAOYSA-N 276.380 3.742 30 20 CHED C=CCCC1(c2nc(Cc3ccc(C)c(OC)c3)no2)CC1 558286503 PERFRCWQRLDBSL-UHFFFAOYSA-N 298.386 3.975 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@H]2CCC[C@H](C)C2)no1 288997714 SQFQRDHRBUXOFK-ONGXEEELSA-N 271.320 3.803 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H](C)CCC 460783297 KQGHOBYAKKBZCC-ZDUSSCGKSA-N 264.417 3.602 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cc(C(=O)OC)cs1 287477173 MQUDREKGKLJVNN-CMPLNLGQSA-N 267.394 3.540 30 20 CHED CC(C)C[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 469091701 ZDMFQPVSGFKOSO-GFCCVEGCSA-N 277.799 3.869 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1sccc1C#N 280569776 RVIULJJVOVANQB-CMPLNLGQSA-N 262.378 3.775 30 20 CHED C=CCCCCNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 471677121 NVNSPMOORBMIGU-RYUDHWBXSA-N 277.330 3.828 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@H](C)C1CC1)c1ccccc1 630640787 RPHYOGOWRQERMR-CZUORRHYSA-N 257.377 3.603 30 20 CHED COc1cc(C#N)ccc1NCc1cccc2cccnc12 388769959 GBNVXVZKHYAVOU-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=CCC[C@H](O)CN1C[C@H](C)C[C@H]1c1cccc(F)c1 472588110 CMVALAIESZONAN-COXVUDFISA-N 277.383 3.536 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccccc1F 807991744 REBUJNOZCWALKX-UHFFFAOYSA-N 284.338 3.719 30 20 CHED C#CCC1(c2nc(-c3ccc(C)o3)no2)CCCCC1 809469451 QVFGBMJTAPKUQY-UHFFFAOYSA-N 270.332 3.863 30 20 CHED C#CCCCCCC(=O)Nc1cc(C#N)ccc1NC1CC1 803314616 YRRYDLFBZHFVOO-UHFFFAOYSA-N 295.386 3.655 30 20 CHED CCC[C@@H](N=c1cc[nH]c(C#N)c1)c1ccc(F)cc1F 557604471 HFWXBVXLYJCAHW-MRXNPFEDSA-N 287.313 3.607 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 295267963 LIDWOHLAIIDPGU-ZBFHGGJFSA-N 271.404 3.678 30 20 CHED CCCN(CCCC(C)(C)C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 472233764 NPBWFSGBKQMGOD-OAGGEKHMSA-N 292.467 3.842 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2ccc(CC#N)cc2)CC1(C)C 292629072 LVKCHAHNASKTBJ-OAHLLOKOSA-N 285.391 3.651 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)c2ccccc2O1 472237016 GTBCWSAVQHXMBG-ZDUSSCGKSA-N 258.365 3.604 30 20 CHED C=CCCCCCCNC(=O)c1sc(Cl)nc1C 805220837 GYZVMXGJILATIR-UHFFFAOYSA-N 286.828 3.971 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C\c2cn(C(C)C)nn2)cc1 806569495 CMPXFQURBPRSFE-KTKRTIGZSA-N 297.402 3.954 30 20 CHED C#C[C@@H](N[C@@H](C)CCc1n[nH]c2ccccc12)C(C)(C)C 809781455 RMNKEQPEGYAIBR-SUMWQHHRSA-N 283.419 3.522 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2cccc(F)c2Cl)no1 809413486 SJRAMVVXBKNEAC-AWEZNQCLSA-N 293.729 3.644 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 478063420 DEQQDIMFKBEMNE-DOMZBBRYSA-N 276.767 3.832 30 20 CHED Cc1ccsc1/C=C1/Cc2nc(Cl)ccc2C1=O 806578213 PCDHUUBZUHCBIH-CLFYSBASSA-N 275.760 3.927 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2CCO[C@@H](C)C#N)cc1 801935542 AAQVXLBAZXFPKJ-YJBOKZPZSA-N 286.419 3.876 30 20 CHED C=CCOCCCN1C[C@H](c2ccccc2C)C[C@H]1C 470771783 HFUMFVDZGLRHAL-IAGOWNOFSA-N 273.420 3.766 30 20 CHED C#Cc1cc(F)c(NCc2cccc(COC)c2)c(F)c1 802743864 CCQWUFNGQXXIRG-UHFFFAOYSA-N 287.309 3.705 30 20 CHED C=CCC(C)(C)c1noc(COc2cccc(C)c2)n1 560008277 IRKLVXMYHGLEGZ-UHFFFAOYSA-N 272.348 3.811 30 20 CHED C[C@H](C#N)OCCN(C1CC1)[C@H](C)c1ccccc1Cl 801917827 RNDLLFYJXKGYTR-CHWSQXEVSA-N 292.810 3.794 30 20 CHED C=C(CC)CN[C@@H](COC)c1cccc(C(F)(F)F)c1 563641281 GQBWCFXMVRPCHL-AWEZNQCLSA-N 287.325 3.949 30 20 CHED C[C@@H](C#N)OCCSCc1ccc(C(F)(F)F)cc1 801659693 OVLRBPDDQAXFKF-JTQLQIEISA-N 289.322 3.867 30 20 CHED COc1ccc(C(=O)/C=C\c2cnccn2)c2ccccc12 809152107 CSKHAUHEUYPDNC-VURMDHGXSA-N 290.322 3.535 30 20 CHED Cc1cc2c(NCC(C)(C)CCC#N)ncnc2s1 808092687 CKWFBOMKSBJAJE-UHFFFAOYSA-N 274.393 3.742 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(F)ncc2F)cc1 806565658 QVFYBTAMTYORMX-SREVYHEPSA-N 259.255 3.564 30 20 CHED CC(C)=CCC[C@@H](C)CC=NN[C@H]1CCSC1 808001127 GHIVMNWANNBUBG-KGLIPLIRSA-N 254.443 3.840 30 20 CHED CC(C)COc1ccc(NCCO[C@@H](C)C#N)cc1Cl 802741065 SXYNMHVQKMGLDR-LBPRGKRZSA-N 296.798 3.715 30 20 CHED C=CCC(F)(F)C(=O)N(CC)[C@@H]1CCCC[C@H]1C 815309000 RYSROOFCTSPKHN-VXGBXAGGSA-N 259.340 3.625 30 20 CHED C=CCn1cccc1C(=O)NCc1ccc(C(F)F)cc1 488915421 KKBWWNCDVFTEFQ-UHFFFAOYSA-N 290.313 3.542 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1ccccc1F 488874842 FMCOZQXYHRAPPY-ZFWWWQNUSA-N 275.367 3.571 30 20 CHED C1CCC([C@@H]2CCCCC2=NN[C@H]2CCCOC2)CC1 814909110 WSPSKSJCIZZDSY-HOTGVXAUSA-N 278.440 3.882 30 20 CHED C#Cc1ccc(CN2CC(C)(C)[C@@H]2c2ccncc2)cc1 816621239 DEKAOZMTEIMMPU-SFHVURJKSA-N 276.383 3.646 30 20 CHED C=CCCC(=NN[C@@H](C)COc1ccccc1)C1CC1 811666809 KLCCKFCWOFRWKO-AWEZNQCLSA-N 272.392 3.776 30 20 CHED C=CCCC(C)(C)NCc1ccc(OCCOC)cc1 657805407 OBACVRVJVYFTRH-UHFFFAOYSA-N 277.408 3.546 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@H]2C[C@H]12 577339045 JMGRGMYZGNYBSA-KKUMJFAQSA-N 298.386 3.720 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(C)c(Cl)c1Cl 577030644 BXUCOKIWJJYNEJ-ZDUSSCGKSA-N 285.174 3.724 30 20 CHED COc1ccc(N[C@@H](C#N)Cc2ccccc2)c(C)c1 727172368 AXXBSGZCJVZPTL-OAHLLOKOSA-N 266.344 3.550 30 20 CHED Oc1cccc(C=NNc2ncccc2Cl)c1Cl 814810855 XAMAONDEPZMBRC-UHFFFAOYSA-N 282.130 3.540 30 20 CHED COc1cccc(NN=C2Cc3[nH]c4ccccc4c3C2)c1 814777038 KKCLIQFSVCBUCQ-UHFFFAOYSA-N 291.354 3.743 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cccnc1Cl 728698390 IXHJBPYUABALIA-VURMDHGXSA-N 287.746 3.948 30 20 CHED CC(=NNC1CCCC1)c1ccc(Br)s1 727652597 MFMCUMPCUOKRGF-UHFFFAOYSA-N 287.226 3.767 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 726909154 XZMXISIAJICVNP-CAOSSQGBSA-N 292.492 3.728 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H](C)c2ccccc2)cc1 576094908 DOSMWIAJNYBYMR-OAHLLOKOSA-N 295.382 3.671 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@]23CCC[C@@H]2C3)cc1 575740047 USUGXZKHICUSGF-DYVFJYSZSA-N 268.360 3.616 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CCCN2 659019613 YSWVSKCAESRIRF-UHFFFAOYSA-N 287.407 3.911 30 20 CHED CC(C)c1ccc(C(=O)NCCc2cccc(C#N)c2)cc1 577756748 VNCFLLQTXHJVPV-UHFFFAOYSA-N 292.382 3.654 30 20 CHED C=CCn1c(C)nnc1N(C)c1cccc(C(C)C)c1 576455036 NESLEIBLJZOLRZ-UHFFFAOYSA-N 270.380 3.664 30 20 CHED Cc1cc(C=Nn2cnc3ccccc32)c(C)n1CC(C)C 725848686 CEYKYTFMDOSWLL-UHFFFAOYSA-N 294.402 3.993 30 20 CHED C=CCC1(N[C@H](CC)C[C@@H](C)CC)CCOCC1 668551572 QVIQKXGODYFYCK-LSDHHAIUSA-N 253.430 3.916 30 20 CHED CC(C)C[C@H](C)CN1CCC[C@@]2(CCCCO2)[C@H]1C#N 499766453 BPNLJEKWOZGBJS-BBWFWOEESA-N 278.440 3.596 30 20 CHED C=CCNC(=S)N1Cc2ccccc2-c2ccccc2C1 726132577 JNMWLUKZBZIPGI-UHFFFAOYSA-N 294.423 3.730 30 20 CHED CCCN(C(=O)C#CC(C)C)[C@H](C)c1ccccc1OC 824502020 CWTVSJDRMGSANC-OAHLLOKOSA-N 287.403 3.654 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccc(OC)c1F)C2 588618997 FPIKEBXGNGHAOD-LCYFTJDESA-N 298.313 3.665 30 20 CHED C[C@@]1(Cc2cccc(F)c2)CCCN1CCCCC#N 581129174 NJSDVNREPXVBHL-KRWDZBQOSA-N 274.383 3.917 30 20 CHED CCCCCCCC[C@@H](N)c1nc(-c2ccccn2)no1 900010849 XRPXQRBYYBOJFI-CYBMUJFWSA-N 288.395 3.882 30 20 CHED CC(=NOCCc1scnc1C)c1ccc(F)cc1 902855927 CHCVYUCZDXUVMH-UHFFFAOYSA-N 278.352 3.574 30 20 CHED CCCOc1cc(C)ccc1NCc1cc(C#N)ccn1 901373500 IPUBIKOTZCLQEN-UHFFFAOYSA-N 281.359 3.663 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@]1(C)CC1(Cl)Cl 827106473 SLBIEAXVLUKVEW-ZDUSSCGKSA-N 297.185 3.779 30 20 CHED CC[C@H](C)[C@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 497330991 GOOOODWQTDTWIM-HOCLYGCPSA-N 286.419 3.824 30 20 CHED CCSc1cccc(/C=C\C(=O)c2cnn(CC)c2)c1 588489355 UNDJCONQOCSMHW-HJWRWDBZSA-N 286.400 3.911 30 20 CHED C=CCN(C)C(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 490051967 DNUFZWYDWGOCKJ-OAHLLOKOSA-N 295.382 3.765 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 494825357 RNWIJXQHQPODLF-OAHLLOKOSA-N 291.354 3.861 30 20 CHED CC(=O)c1ccc(OCCC(C)(C)C#N)cc1Cl 902681947 AYHFISAJEUHCRM-UHFFFAOYSA-N 265.740 3.861 30 20 CHED CCCCCCCCCN(C)C(=O)c1nn(C)cc1C 839572435 YABWBYGAAIIEMK-UHFFFAOYSA-N 279.428 3.551 30 20 CHED C=CCCCOC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 838143949 LYRSENVRHTVMDX-LBPRGKRZSA-N 289.158 3.536 30 20 CHED CC(=NNc1nccnc1Cl)[C@@H]1CCCC[C@@H]1C 834958264 JQVNBTIQTBGWDA-GXSJLCMTSA-N 266.776 3.744 30 20 CHED N#CCCCCCC(=O)N[C@H]1CCCc2sccc21 588164378 KXAZKHKQVJPATE-ZDUSSCGKSA-N 276.405 3.716 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccncc1)C1CC1)CC2 903428167 MWMZJBZERRGLCJ-RTBURBONSA-N 289.382 3.681 30 20 CHED CCCCN(C)c1ccc(Nc2ccc(C#N)cn2)cc1 730567257 RHZZEUIUYIJEME-UHFFFAOYSA-N 280.375 3.933 30 20 CHED COc1ccc(-c2ccncc2)cc1C=NOC(C)C 835002495 MBWYOMPABUFQDD-UHFFFAOYSA-N 270.332 3.516 30 20 CHED CC[C@H](C)CC=NNc1ncccc1C(F)(F)F 834941310 OKOBOHWJMFQCSR-VIFPVBQESA-N 259.275 3.934 30 20 CHED Cc1cc(Cl)nc(C(=O)O[C@@H](C#N)C2CCCCC2)c1 909690210 AEGSMAFOSOCXFK-ZDUSSCGKSA-N 292.766 3.673 30 20 CHED N#CCCCCCC(=O)N1CCCCc2ccccc21 588755379 HQSQRPKNXRVVKP-UHFFFAOYSA-N 270.376 3.830 30 20 CHED C=CCCCCOC(=O)[C@H](CC)CC(F)(F)F 835448965 FAKBYYAWUJQXJB-SNVBAGLBSA-N 252.276 3.865 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 584121002 ZKRDNQLEOYEVGY-KDOFPFPSSA-N 296.414 3.558 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cnn(C)c2Cl)cc1C 834407606 BLAFZINAWJYTKL-AATRIKPKSA-N 288.778 3.895 30 20 CHED C=C(Cl)CNC(=O)[C@@H](CCC)CC1CCCC1 736243305 ZPSABBHYNPFMMW-ZDUSSCGKSA-N 257.805 3.852 30 20 CHED CCc1cccc(C)c1NN=C(C)c1nccn1CC 834976054 HEHVXBCPDZPRRS-UHFFFAOYSA-N 270.380 3.610 30 20 CHED C=C(CN[C@H](C)Cc1ccc(OC)cc1)c1ccccc1 675783139 BRZMYSDOBIOXQW-MRXNPFEDSA-N 281.399 3.929 30 20 CHED C/C(C=NN[C@H](C)C(F)(F)F)=C\c1ccccc1 834997359 XTARCFREJHFKPK-OHTDDQGASA-N 256.271 3.616 30 20 CHED CC[C@H](NCC1(OC)CCCC1)c1cccc(C#N)c1 902999692 DVRFZXUFYCLWON-INIZCTEOSA-N 272.392 3.558 30 20 CHED C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)Cc2ccccc21 731478349 CTXFBXFTOZGDEL-LLVKDONJSA-N 283.762 3.730 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(C(F)F)cc2)C1 839051723 OPTAJINKWZZCSK-GXFFZTMASA-N 279.286 3.863 30 20 CHED Fc1ccc(NN=Cc2ccc(OC(F)F)cc2)cc1 916268209 QLZURKRVROCIEX-UHFFFAOYSA-N 280.249 3.873 30 20 CHED CC(C)(C)C(=O)CSc1ccc(Cl)cc1C#N 674694010 PFXDZURMBAPFRF-UHFFFAOYSA-N 267.781 3.919 30 20 CHED N#Cc1ccc(NN=Cc2ccccc2Cl)cc1 915961926 HDLPKDLDDFQXFD-UHFFFAOYSA-N 255.708 3.658 30 20 CHED N#CCCCOC(=O)C1=C(c2ccccc2)CCCC1 835266131 WMJKVAXDNFZQPA-UHFFFAOYSA-N 269.344 3.861 30 20 CHED COc1cccc2cc(/C=C\c3ccc(C#N)cn3)oc12 917146582 RTHXDYDTBGHYCQ-FPLPWBNLSA-N 276.295 3.878 30 20 CHED CC#CC(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 837187149 CORJPSAVFCTCLR-HIFRSBDPSA-N 275.779 3.506 30 20 CHED CCC(CC)(C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597909602 OASYRUIRDVSJTK-INIZCTEOSA-N 298.430 3.897 30 20 CHED Cc1cccc([C@H](NC(=O)CCCCC#N)C(F)(F)F)c1 594016195 FUMMTTDDRZDCAI-AWEZNQCLSA-N 298.308 3.799 30 20 CHED CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCCCCC#N 744140557 JIVWNDLUFQTNKZ-KKUMJFAQSA-N 281.396 3.597 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H](C2CCC2)C2CC2)cc1 835069059 JZDYXKPAGKPHMA-SCLBCKFNSA-N 284.403 3.646 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1snnc1CC 917871956 BBCMJEJKYYFQLB-LBPRGKRZSA-N 297.468 3.827 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(C)s1 917024096 QNOUERMUODYCDJ-UHFFFAOYSA-N 275.333 3.801 30 20 CHED CCc1cc(N2CCC[C@H](CC#N)C2)c2ccccc2n1 596330239 RLBCXHHVCHVBQB-CQSZACIVSA-N 279.387 3.927 30 20 CHED CCC(C#N)(CC)c1nc(C2(c3cccc(F)c3)CC2)no1 599174454 OYBFTJZNHBXJFO-UHFFFAOYSA-N 299.349 3.870 30 20 CHED CCCC(C)(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 593025305 WAJASRJOWMBBJY-LBPRGKRZSA-N 258.365 3.562 30 20 CHED CC(=NNc1ccc(F)cc1)c1cc(C)ccc1O 916268060 HIFQOVXETQQXEC-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C=C(C)COC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 744041117 ZZXAGKOQLHQEKR-UHFFFAOYSA-N 289.375 3.713 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C)CCC[C@H]1C 593957639 OXNWUTAYUJEPRQ-RBSFLKMASA-N 284.403 3.526 30 20 CHED CCCCCC[C@H](C)NN=C(CC)[C@H]1CCOC1 743450732 PAJLZDPKXLMFIS-KBPBESRZSA-N 254.418 3.737 30 20 CHED C=CCOc1cccc(CNC2(C(F)F)CCCC2)c1 674144014 JFQOYYKOEXFGND-UHFFFAOYSA-N 281.346 3.919 30 20 CHED CC1(O)CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 749282840 RZUKKTKCWIVMIH-UHFFFAOYSA-N 298.308 3.683 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc(Cl)nc2)o1 743450566 MUTAXYVANCQOLU-SKDRFNHKSA-N 275.739 3.897 30 20 CHED COc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c(C)c1 744099383 AOERCICENHXGKR-CYBMUJFWSA-N 295.338 3.793 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](C#N)C(C)C 599411426 HUFNVERBVYBNOU-HNNXBMFYSA-N 282.343 3.533 30 20 CHED N#Cc1nc(N2CCC[C@@H]3CCCC[C@@H]32)sc1Cl 596570916 AEZOOHCMFJEOSR-ONGXEEELSA-N 281.812 3.827 30 20 CHED C=CCCCCCN(C)[C@@H](C)c1cnc(C)nc1C 682073769 RVIPWTRZLLVPHH-AWEZNQCLSA-N 261.413 3.833 30 20 CHED C#CC1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 843704807 JRXOSDAZZTZYNC-UHFFFAOYSA-N 275.417 3.531 30 20 CHED C[C@]1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCc2ccccc21 842818006 FYESXRQQNFBSHF-JOQOYGCGSA-N 283.371 3.516 30 20 CHED C=CCNC(=O)C1(c2ccc(C(C)C)cc2)CCCC1 594577491 CPZOJUPHADJETH-UHFFFAOYSA-N 271.404 3.924 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1cc(OC)ccc1O 845972492 QXYNCYXAHPDDPW-OLZOCXBDSA-N 263.381 3.796 30 20 CHED CCCCCn1cc(CN[C@H](C)CC(C)(C)C#N)c(C)n1 925675053 SZZGFCKSQTWHRY-CQSZACIVSA-N 290.455 3.800 30 20 CHED Oc1ccccc1/C=N/C[C@H]1CCCCC1(F)F 840706805 KJXLHXYRFMQLMT-UDPFGDFPSA-N 253.292 3.637 30 20 CHED CCSc1cc(CN[C@H](C)CC(C)(C)C#N)ccn1 926226409 LRCZSTSVKIIQPS-GFCCVEGCSA-N 277.437 3.612 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ncccc1C 851144378 RGVNPIHEGONVQZ-KBPBESRZSA-N 259.349 3.682 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)cc2F)c(F)c1 750427878 AKWNXYUVJHFFOC-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#CCCCN[C@@H](CCC)c1ncccc1Cl 925158779 ATADGKQYPWKFOX-ZDUSSCGKSA-N 250.773 3.579 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)OCc2cc(F)ccc2C#N)C1 759361795 ZAWYFRUURXNRMK-VXGBXAGGSA-N 275.323 3.567 30 20 CHED C=CC[C@H](C(=O)N(C)CCOC(C)(C)C)c1ccccc1 681667115 IBBOSUHRMHUBCW-INIZCTEOSA-N 289.419 3.620 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1cccc(Cl)c1 751517713 UAVDIYBOYJSYEM-NSHDSACASA-N 252.745 3.554 30 20 CHED C=CCCCCNC(=O)c1ccccc1OC1CCC1 681146432 XKVLDAAAQJDHFZ-UHFFFAOYSA-N 273.376 3.704 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 753242774 JZEWQMURCSMZEO-CABCVRRESA-N 290.794 3.598 30 20 CHED C#CC[C@@H](NC(=O)c1cc2ccsc2[nH]1)c1ccccc1 757598918 LGLRCSRFNNGKND-CQSZACIVSA-N 294.379 3.724 30 20 CHED Cc1nc2ccc(N[C@@H](C)CC(C)(C)C#N)cc2o1 925921336 PNZNHRLOSKWJCB-JTQLQIEISA-N 257.337 3.877 30 20 CHED COc1ccc(NN=C2CCc3c(F)cccc32)cc1 750946782 ZQXNUXFPKZKOKI-UHFFFAOYSA-N 270.307 3.597 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1ccccc1F 757465795 WWKUNUNNPCMMDD-ALCCZGGFSA-N 261.683 3.770 30 20 CHED Cc1cccc(C)c1C=NNc1oc(C(C)C)nc1C#N 755674037 OGOAWVWZMBIZRD-UHFFFAOYSA-N 282.347 3.733 30 20 CHED FC(F)(F)c1cccc(NN=C2CCCn3nccc32)c1 853258365 MUKOTDKNGHSIRC-UHFFFAOYSA-N 294.280 3.512 30 20 CHED Cc1ccccc1NC(=S)NN=C/C=C/c1ccco1 920362788 JZCJSXZTAGXNDH-JEVKGGJXSA-N 285.372 3.574 30 20 CHED Cc1ccc([C@H](C)N[C@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] 925491248 DRVORVBDQHIABE-OLZOCXBDSA-N 289.379 3.882 30 20 CHED C#CCCCCNC(=O)N(C)C/C(C)=C\c1ccccc1 755272055 WJXGDXSUECRKPP-PEZBUJJGSA-N 284.403 3.535 30 20 CHED C/C(=C\C(=O)O[C@H](C)CC(C)(C)C#N)C(C)(C)C 851202776 MJEPOMNIKIKCMJ-JATZPVMKSA-N 251.370 3.850 30 20 CHED Cc1ccnc(NN=Cc2csc(Br)c2)c1 755900624 MNBXJZZPTYHSEU-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CC[C@H](C#N)OC(=O)/C=C\c1ccc(C(C)(C)C)cc1 753428250 KUFXDWVKBIIAJM-MEODZPNASA-N 271.360 3.843 30 20 CHED FC(F)(F)c1cccc(NN=C[C@H]2CC2(Cl)Cl)n1 853309861 KGWVQSIIZIGWNH-ZCFIWIBFSA-N 298.095 3.692 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc(C#N)c(Cl)c1 853332198 FZGMURPNVSOIDA-UHFFFAOYSA-N 274.755 3.939 30 20 CHED COCCC(=NNc1ccc(F)cc1C)C(C)C 750939114 UPJKJNZTARVGPV-UHFFFAOYSA-N 252.333 3.595 30 20 CHED COc1ccc(C#N)cc1CNc1ccccc1NC(C)C 864040814 GJEJLJOJRSRUIX-UHFFFAOYSA-N 295.386 3.999 30 20 CHED CCC(C#N)(CC)C(=O)OCc1c(C)cccc1C 860197139 FGZQXJXHBSLSAP-UHFFFAOYSA-N 259.349 3.677 30 20 CHED C#CCCc1noc([C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 762011581 MYQJMPOKMMNHGJ-CHWSQXEVSA-N 272.735 3.560 30 20 CHED C#CCCCOc1ccccc1C(=O)Nc1ccccc1 766285280 SJHBYGQWJRFUET-UHFFFAOYSA-N 279.339 3.731 30 20 CHED CC#CCCOC(=O)c1csc(Cc2ccc(C)cc2)n1 760293663 AJXPSDGEEJNGSK-UHFFFAOYSA-N 299.395 3.613 30 20 CHED N#CCCCCOC(=O)c1cccc(-c2ccoc2)c1 760574621 XHZSNURHHVPJAJ-UHFFFAOYSA-N 269.300 3.797 30 20 CHED C#C[C@@H](C)N(C)C(=O)/C=C(\CC)c1cccc(Cl)c1 767263379 LBVDPJLWTOYSEM-RVROTUBLSA-N 275.779 3.614 30 20 CHED Cc1cc(Cl)ccc1/C=C/C(=O)c1cc(O)cc(O)c1 767358811 MOMXUHQTCAQSCY-HWKANZROSA-N 288.730 3.956 30 20 CHED Cc1cc(C)c(C=NNc2cc(C#N)cc(Cl)n2)c(C)c1 768376782 VXYHLEGQXRUQPT-UHFFFAOYSA-N 298.777 3.978 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1ccnn1C 766028292 AGGJKYPWYBEBSL-UHFFFAOYSA-N 270.380 3.554 30 20 CHED COc1cc(OC(=O)/C=C\C2CCCCC2)ccc1C#N 767152281 ZBRSHHCYUDFUGE-YFHOEESVSA-N 285.343 3.609 30 20 CHED Clc1cccc(C=NNc2ncnc3ccsc23)c1 764835583 OBNOHLMFOHBBBY-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cccc(OCC#N)c1 761336369 IZPBBDLHJFSPOX-GFCCVEGCSA-N 274.364 3.600 30 20 CHED COc1cc(OC(=O)c2coc3ccccc23)ccc1C#N 767158444 RXUFKASBOXTOKX-UHFFFAOYSA-N 293.278 3.532 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1ccc(Cl)nn1 766681594 AEJRELYEYLWZDW-SNVBAGLBSA-N 286.766 3.762 30 20 CHED Cc1cccc(F)c1NC(=O)Nc1ccc(OCC#N)cc1 1116600437 GTZBDNYCNDNVGE-UHFFFAOYSA-N 299.305 3.681 30 20 CHED C#Cc1cccc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 766447449 QXXSQLXVJDXQCN-OXQOHEQNSA-N 290.410 3.915 30 20 CHED Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC1(C#N)CCC1 1119605842 BFGJRQMBZKXSGZ-CHWSQXEVSA-N 270.376 3.532 30 20 CHED C=CCC1(N[C@@H](C)Cc2cccc(C)c2)CCOCC1 877628124 CPLBQSGJDNYQMS-INIZCTEOSA-N 273.420 3.641 30 20 CHED N#Cc1ccc(NN=Cc2ccc(N3CCCC3)cc2)cc1 1115850918 VNLNAZWMATVVSR-UHFFFAOYSA-N 290.370 3.604 30 20 CHED CC(C)OCCNN=C1CCC(c2ccccc2)CC1 778549984 JVWXOTLKPCSEQB-UHFFFAOYSA-N 274.408 3.715 30 20 CHED N#C[C@H](OC(=O)CCc1cccc2ccccc12)C1CC1 870221958 UCMHKSONWYRZHT-KRWDZBQOSA-N 279.339 3.618 30 20 CHED CCCCCCCCc1nc(C2(OC)CCOCC2)no1 771724038 MNKGVGYSOSPQJW-UHFFFAOYSA-N 296.411 3.625 30 20 CHED N#C[C@H](OC(=O)C1CCCCCC1)C1CCCCC1 776381555 HVOUEVCIQNSPIX-HNNXBMFYSA-N 263.381 3.972 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(OC)c(CN(CC)CC)c1 775393966 CKKOALRRLFCMOC-CABCVRRESA-N 290.451 3.762 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1c[nH]c2ccccc12 771325622 LSDIWVVJOQHCKH-UHFFFAOYSA-N 293.297 3.516 30 20 CHED Cc1ccc(F)c(CN(C)C(=O)CC#Cc2ccccc2)c1 1116782997 OKVLLLRFKRRMKC-UHFFFAOYSA-N 295.357 3.534 30 20 CHED CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1ccc(OCC#N)cc1 772958997 MOWOTYTVIKBWMJ-KYJSFNMBSA-N 286.419 3.893 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1ccc(C#N)s1 776785062 RKDLMWQTMOIJKY-UHFFFAOYSA-N 292.367 3.922 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2ccc(C#N)s2)CCC[C@H]1C 779271828 AYRVSWYBNNKDCE-SCVCMEIPSA-N 263.362 3.601 30 20 CHED COc1cc(O)ccc1/C=C1/CCc2ccccc2C1=O 1115821989 YXNXKZIGVKXLGA-UVTDQMKNSA-N 280.323 3.613 30 20 CHED C#CCCCCCC(=O)NC(C)(C)c1ccccc1OC 779914880 IQMGFHZEPNNBDH-UHFFFAOYSA-N 287.403 3.630 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccccc1 772194051 ZQFBQGNMRRBICB-HOTGVXAUSA-N 269.388 3.694 30 20 CHED C#CCCCCCc1nc([C@@H](OCC)c2ccccc2)no1 771728888 OFDOYDPZHWWZAR-KRWDZBQOSA-N 298.386 3.932 30 20 CHED C#CC[C@@H](NCc1ccc(Cl)cn1)c1ccccc1 778234297 JMNFARPYKALKSU-MRXNPFEDSA-N 270.763 3.589 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 1128832492 YVAYQMYBWQORAL-IUODEOHRSA-N 293.370 3.871 30 20 CHED C[C@@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1559087711 ZDMMJHXGAXZBOI-CYBMUJFWSA-N 271.408 3.877 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cnc(Cl)cc1C 785878738 UFEQEFSRVBEFKS-LLVKDONJSA-N 279.771 3.616 30 20 CHED CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1O 787025527 HBPUPMLMLIPELW-MSOLQXFVSA-N 292.382 3.992 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2sc(C)nc2c1 786131507 HVASTVXXEZOPGB-UHFFFAOYSA-N 275.377 3.645 30 20 CHED C=CCC1(C(=O)OCc2csc([C@@H](C)OC)n2)CCC1 784926612 FPUXHFYEERIHAB-LLVKDONJSA-N 295.404 3.640 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc2scnc2c1 1125613392 ZSYFPXIKPKALHN-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC(C)(C)C1CCC(C=NNc2ncccn2)CC1 783825210 VYMNZGMMLRQLDY-UHFFFAOYSA-N 260.385 3.727 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1cc(F)ccc1C#N 785749690 RINNRFLHEUPPMX-NSHDSACASA-N 295.379 3.662 30 20 CHED Clc1ccsc1C=NNc1ncnc2sccc12 782170334 HIOYONWEOXGHMH-UHFFFAOYSA-N 294.792 3.852 30 20 CHED CC[C@H](CC#N)OC(=O)c1ncsc1-c1ccccc1 787085815 FSAAGTWPRWCZNK-GFCCVEGCSA-N 286.356 3.659 30 20 CHED C#CCC1(C(=O)Nc2scnc2C2CC2)CCCCC1 788454333 JAINKUKVDLVVGX-UHFFFAOYSA-N 288.416 3.933 30 20 CHED CC(C)c1ccc(CC=NNc2ccnc(F)c2)cc1 781128441 WSSIPHYSZXBSPN-UHFFFAOYSA-N 271.339 3.985 30 20 CHED C=CCCCCCOC(=O)c1sccc1OC 783517973 YSTKMHYZENPNBU-UHFFFAOYSA-N 254.351 3.660 30 20 CHED N#C[C@@H]1CCCN(c2ccnc3ccc(Cl)cc23)C1 895659136 OOJBBYRGKMWOFA-NSHDSACASA-N 271.751 3.628 30 20 CHED COc1cc(C)ccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 781508046 QEFMUTQCTYOIMQ-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED CC(=NNC1CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788432969 IMNQFKCGVJFXTG-NWDGAFQWSA-N 298.839 3.650 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)nc(C2CCC2)n1 891402332 QWERPFVQEZMDFK-UHFFFAOYSA-N 265.316 3.717 30 20 CHED Cc1coc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1 892800560 CJQBLKQBHPADPB-SNVBAGLBSA-N 274.345 3.658 30 20 CHED N#Cc1ccc(COC(=O)c2csc(Cl)c2)c(F)c1 786346456 DFQOZQNJKNAWIO-UHFFFAOYSA-N 295.722 3.769 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCOC(F)(F)F 788674363 IDLQJXWUBBNOKI-NVMNQCDNSA-N 283.249 3.501 30 20 CHED C=C1CCC(C(=O)O[C@H]2CCCC23CCOCC3)CC1 892984557 TVNLTDJDFPTNEK-HNNXBMFYSA-N 278.392 3.625 30 20 CHED C=CCCCCCCNc1nc(C)ccc1C(=O)O 394104095 WXLHPTIUCXKICI-UHFFFAOYSA-N 262.353 3.637 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C\C(=O)c1ccsc1 794934855 NTFVRBXFOVSKFA-ARJAWSKDSA-N 286.352 3.959 30 20 CHED C#Cc1ccccc1C(C)=NOCc1ccccc1OC 799118678 PYFHVONFPLLLQY-UHFFFAOYSA-N 279.339 3.617 30 20 CHED C#Cc1cccc(NC(=O)Nc2cnn([C@H](C)CC)c2C)c1 792224409 QTSPTPIJJAMJQT-GFCCVEGCSA-N 296.374 3.788 30 20 CHED CC(=NNc1cnn(C)c1)[C@@H](C)c1ccc(Cl)cc1 794538639 UEWZIFNMQUDJRM-SNVBAGLBSA-N 276.771 3.665 30 20 CHED CC[C@@H](C)CON=Cc1nc2ccc(Cl)cc2n1C 793159039 KQCKPVZNPCXTHY-SNVBAGLBSA-N 279.771 3.623 30 20 CHED COCC[C@@H]1CCCC1=NNc1nc2ccccc2s1 799865943 PBHGYPVIWONVNT-NSHDSACASA-N 289.404 3.901 30 20 CHED N#Cc1ncccc1NCc1cccc(Cl)c1Cl 558589599 NMQPRFHQIFNTOJ-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNCc1ccccc1N(C)C 794955812 DMFBLTIMRYWGIR-HUUCEWRRSA-N 273.424 3.654 30 20 CHED CC[C@@H](C)CON=Cc1cnc(-c2ccco2)s1 793163385 JNPLRJLCVBGXBP-SNVBAGLBSA-N 264.350 3.800 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 796749146 VFQPVOPKHKNURH-MRXNPFEDSA-N 283.371 3.692 30 20 CHED Cc1cccc(C)c1OC(=O)/C=C\c1ccccc1C#N 799465628 HWNSOHMOQZJVPK-KHPPLWFESA-N 277.323 3.794 30 20 CHED Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1C#N 799303692 KYGVGZFXZIQBJC-UHFFFAOYSA-N 296.395 3.733 30 20 CHED COc1ccc(NC(=O)Nc2cccc(C)c2C)cc1C#N 1202700947 IBPQBUUJHNYTJS-UHFFFAOYSA-N 295.342 3.828 30 20 CHED CCOc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1OCC 799720310 FGPZHYHAETTWAJ-STQMWFEESA-N 274.364 3.588 30 20 CHED CC[C@H](C#N)OC(=O)CC(C)(C)CC(=O)c1ccccc1 799571616 QZKRXVAQSPRKJJ-CQSZACIVSA-N 287.359 3.521 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1ccc(C#N)cc1OC 796336042 QAIHNKSWQWFACG-QGZVFWFLSA-N 289.375 3.826 30 20 CHED CC(C)CCOC(=O)C[C@H](CC#N)c1ccccc1 795981779 NYNHJZSMMPJVGW-HNNXBMFYSA-N 259.349 3.663 30 20 CHED CC[C@@H](NCc1cc(C#N)cs1)c1ccccc1OC 93492326 CIFGWQXSHHFEJH-OAHLLOKOSA-N 286.400 3.869 30 20 CHED N#Cc1cnc(N[C@@H]2CC[C@H](Cc3ccccc3)C2)c(F)c1 1307098349 JSGVRCMPOKNBNV-GDBMZVCRSA-N 295.361 3.916 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1cccc(CC#N)c1 1167092828 QZZBBYMMJKSWOH-UHFFFAOYSA-N 293.370 3.825 30 20 CHED CC(=NOC(C)(C)C)c1cnn(-c2ccccc2)c1C 1319577259 NGBMAUAHTNMMMJ-UHFFFAOYSA-N 271.364 3.720 30 20 CHED C#Cc1cccc(N(C)C(=O)C(F)(F)c2ccccc2C)c1 1323164964 OTYNBLQAFAYMAB-UHFFFAOYSA-N 299.320 3.731 30 20 CHED C=CCCCOC(=O)[C@@H](C)c1ccc(F)cc1F 1322189750 NFZLHDZEGQNUEC-JTQLQIEISA-N 254.276 3.578 30 20 CHED CC(C)(C#N)CCCCOc1cc([N+](=O)[O-])c(F)cc1F 1329531561 MCAAKVWIXCOEOG-UHFFFAOYSA-N 298.289 3.972 30 20 CHED CCc1nocc1/C=C1\COc2c(C)ccc(C)c2C1=O 1324543425 UQUAWXOSNKVVRE-NTUHNPAUSA-N 283.327 3.513 30 20 CHED N#Cc1cccc(C#N)c1NCc1cccc(Cl)c1F 1324667835 SVZQWFHJDIHWMH-UHFFFAOYSA-N 285.709 3.835 30 20 CHED C=CC[C@H](C(=O)OCC[C@@H](C)C(C)=O)c1ccccc1 1327967714 RVZSYCDWVRGOPL-CJNGLKHVSA-N 274.360 3.505 30 20 CHED CC[C@@H]1C[C@H]1Nc1cc(C)c(C#N)c2nc3ccccc3n12 1186267766 WZEIYGAWSOTFGQ-IUODEOHRSA-N 290.370 3.878 30 20 CHED C=C(C)CCC(=O)N[C@H](C)CCCC(F)(F)F 1338962557 CDOSOJBKNWDOJT-SNVBAGLBSA-N 251.292 3.580 30 20 CHED CC(C)(C)C#Cc1nnc(-c2cccc(Cl)c2)o1 1330075896 XBGQCPVBTFWMRI-UHFFFAOYSA-N 260.724 3.788 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H](Cc2ccccc2)C1 1333396379 RFINWEDIZOBIMD-DOTOQJQBSA-N 271.404 3.680 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@@H](C)Oc2c(F)cccc21 1193526868 MNRXTXQFAQWXEV-CYBMUJFWSA-N 296.345 3.793 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccsc2C(F)F)n1 1263284190 WNXOWDFLWOIAIO-QMMMGPOBSA-N 298.339 3.941 30 20 CHED C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1264121676 UERIUTIDBGYFGW-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED N#CC1(CCCSCc2ccc(F)cn2)CCOCC1 1344518963 ORRNLJWIQDQRDO-UHFFFAOYSA-N 294.395 3.554 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 1340096804 MHVIUFFYLXWQKV-LBPRGKRZSA-N 291.395 3.651 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)O[C@H]1CC[C@@H](C#N)C1 1344058908 OTTGEJACMDSNCW-INMHGKMJSA-N 285.387 3.799 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1345432902 LAMSOSFHQJEBTG-YMTOWFKASA-N 282.746 3.596 30 20 CHED C[C@H](CC(C)(C)C#N)NC1CCC2(CCOCC2)CC1 1262202285 RCPSTNCUQJJSMU-CQSZACIVSA-N 278.440 3.644 30 20 CHED CC[C@@H](C)CCCCC(=O)[C@H](C#N)c1ncc(Cl)n1C 1344322182 JJXDTXHBPLBZGF-NEPJUHHUSA-N 295.814 3.856 30 20 CHED N#CC[C@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccco1 1347949032 PLVJZXZUOZYJED-RDJZCZTQSA-N 295.338 3.898 30 20 CHED Cc1ccc(OC[C@@H](C#N)CCC#N)c2c1[C@H](C)CC2=O 1349499427 WHXFNCRMQWORTP-CHWSQXEVSA-N 282.343 3.507 30 20 CHED C=C(C)CNCc1cc(Br)ccc1Cl 220938176 WLCHMZMLEKFCLU-UHFFFAOYSA-N 274.589 3.768 30 20 CHED N#Cc1ccc(CN2CCC[C@H]3CCCC[C@H]32)cc1 216464074 DMRSXMYXJJFSCK-IAGOWNOFSA-N 254.377 3.713 30 20 CHED CC(C)(CC#N)COC(=O)c1cc(F)cc2ccoc12 1514563394 UIYJCUWXPOHSHC-UHFFFAOYSA-N 275.279 3.669 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@](C)(CC)C1 1286620419 LSGLZVXLIVUAGB-HNNXBMFYSA-N 296.846 3.780 30 20 CHED C[C@@H](OC(=O)c1ccc2c(c1)CCC2)c1ccc(C#N)cc1 1361168711 KOZICJFHECHTLA-CYBMUJFWSA-N 291.350 3.965 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(-c2nnco2)ccc1C 1518935600 IAYDCRTYJOANAY-UHFFFAOYSA-N 285.347 3.586 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccsc1C#N 1527387291 JVOXLPDAPBGEHZ-NEPJUHHUSA-N 276.405 3.566 30 20 CHED O=C(/C=C/c1ccoc1C(=O)O)c1ccc2c(c1)CCCC2 1608289521 WKDWUQNBEBHMPF-BQYQJAHWSA-N 296.322 3.753 30 20 CHED O=C(/C=C/c1ccc(C(=O)O)o1)c1ccc(Cl)c(F)c1 1608284093 IHTMUPUNRRGLMK-GORDUTHDSA-N 294.665 3.666 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 1535371892 QNXIXMQSSJRVFX-PJXYFTJBSA-N 274.339 3.708 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(CC#N)cc1)C[C@H](C)O2 1473214636 YQLRBDNSGNCDGD-HNNXBMFYSA-N 292.382 3.849 30 20 CHED N#Cc1cc(F)cc(NC(=O)N[C@H]2CC23CCCCC3)c1 1476983003 WFKZHEAIEHLKSD-AWEZNQCLSA-N 287.338 3.542 30 20 CHED Cc1nc(N2C[C@@H](C)CCC[C@H]2C)c(Cl)cc1C#N 1611997242 GPLXDVFBWKRUCO-WDEREUQCSA-N 277.799 3.930 30 20 CHED C[C@@H]1CCC[C@@H](CNc2nc(C#N)c(Cl)s2)C1 1611863653 LDVBPILVNFJVPU-RKDXNWHRSA-N 269.801 3.906 30 20 CHED C[C@@H](OC(=O)[C@H](CC#N)c1ccccc1)c1ncccc1F 1540027360 RCGKMYZTMBJOHV-TZMCWYRMSA-N 298.317 3.522 30 20 CHED CC[C@H]1Cc2ccccc2CN1CCc1ccc(C#N)cc1 1559728694 WXDSEYDAEHEYIX-FQEVSTJZSA-N 290.410 3.938 30 20 CHED CN(C(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1CCC(C)(C)C1 1626925927 XPORYHBCPVUKMU-CQSZACIVSA-N 289.354 3.740 30 20 CHED COc1ccccc1C[C@H](C)NC1CCC(C)(C#N)CC1 1620920047 YKMFPZYPTQWWOG-NXVRBGIVSA-N 286.419 3.688 30 20 CHED N#Cc1c[nH]ccc1=NC[C@H]1CCCC[C@@H]1c1ccccc1 1642692847 FJTZEAIVLNAYON-SJLPKXTDSA-N 291.398 3.761 30 20 CHED Cc1nc(CSc2ccc(C#N)c(C)c2)cs1 1641223548 XXBGCEYMSRYJBF-UHFFFAOYSA-N 260.387 3.924 30 20 CHED N#Cc1c2c(cn(CCC3CCCCCC3)c1=O)CCC2 1652809801 IGQUWKMHZHGYJV-UHFFFAOYSA-N 284.403 3.569 30 20 CHED N#Cc1cnc(Oc2cnc3c(F)cccc3c2)c(F)c1 1655700801 NVWIFNAXWYTFGA-UHFFFAOYSA-N 283.237 3.572 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)Nc1sccc1C#N 1672812192 BLWSNBMOMFGJEH-PWSUYJOCSA-N 277.393 3.568 30 20 CHED C=CCc1ccccc1CNC[C@@H](CC(=O)O)C(C)(C)C 1776189663 OGOUOCDHMVFJGG-MRXNPFEDSA-N 289.419 3.642 30 20 CHED C=CCCCCCN(C)Cc1nc(-c2ccsc2)no1 150898014 OGHKKWUBTOSLNV-UHFFFAOYSA-N 291.420 3.976 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cnc(C)nc1C 161503717 FOOPLOFUIONPQT-CYBMUJFWSA-N 297.402 3.509 30 20 CHED C[C@@H](C(=O)Oc1ccc(C#N)cc1F)c1ccccc1F 158289978 NMSLILIMRODMDO-SNVBAGLBSA-N 287.265 3.546 30 20 CHED C=CCC[C@H](NC(=O)N1CCC(C#N)CC1)c1ccccc1 160506510 PLYXYUCLUKQRTA-KRWDZBQOSA-N 297.402 3.639 30 20 CHED C=CCCSCC(=O)N(C)[C@H](C)c1ccc(F)cc1 151961887 MKLOCTQBKUJBQS-GFCCVEGCSA-N 281.396 3.654 30 20 CHED C=C(C)CN1CCC(N[C@H](C)CSC(C)(C)C)CC1 152992920 AYWSQNFRXNHMBP-CQSZACIVSA-N 284.513 3.537 30 20 CHED COCCOc1cc(C)ccc1CNc1ccc(C#N)cc1 152990899 ACAXOBLPIQDCAW-UHFFFAOYSA-N 296.370 3.504 30 20 CHED CC[C@H](C)c1cc(C(=O)N(CC)c2ccc(C#N)cc2)on1 152110294 YWFLEVGOLLBGHC-LBPRGKRZSA-N 297.358 3.726 30 20 CHED CC1(C)[C@@H]2C[C@@H]1CC=C2COC(=O)C1(C#N)CCCC1 153023620 NNBVJHZRIURADS-UONOGXRCSA-N 273.376 3.606 30 20 CHED C=C(C)CN(CC)C(=O)CCc1cn(C)c2ccccc12 155124513 UBULDQGDLPZBTB-UHFFFAOYSA-N 284.403 3.536 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccnc1-c1ccccc1 157183079 KCJAPUWXSHJRAU-UHFFFAOYSA-N 293.370 3.955 30 20 CHED C=CCCSc1nnc([C@H](CC)N(C)C)n1CCCC 156940801 NPUTVPFQIZJHJS-ZDUSSCGKSA-N 296.484 3.759 30 20 CHED CC#CCCOc1ccc(Oc2nccs2)cc1 154888952 PCGVQEGCDNHFFC-UHFFFAOYSA-N 259.330 3.728 30 20 CHED CC1(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CCC1 159688320 ZNQIJRTZFHEVIC-HNNXBMFYSA-N 284.403 3.855 30 20 CHED C=C(C)COCCNc1cc(C)nc2ccccc12 125672317 DDVVFSSIGPESEB-UHFFFAOYSA-N 256.349 3.548 30 20 CHED C=CCCCCCCNCc1cn2cc(C)ccc2n1 808419367 QZPFUOBBXUCMPQ-UHFFFAOYSA-N 271.408 3.869 30 20 CHED N#Cc1cc(NC(=O)C2CCC(F)(F)CC2)ccc1Cl 129062296 FSLUAZOQKVMLLA-UHFFFAOYSA-N 298.720 3.976 30 20 CHED N#Cc1ccc(OCc2cnoc2C2CC2)c(Cl)c1 269958098 XNYHLNCCWPNRFH-UHFFFAOYSA-N 274.707 3.656 30 20 CHED N#CCc1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 252421043 YQUDXVDIDDLZNM-NBZXXOOGSA-N 266.388 3.989 30 20 CHED CC[C@H]1CCCCN1CCCOc1cccc(C#N)c1 34674506 DKVXTQMRSSXYND-INIZCTEOSA-N 272.392 3.592 30 20 CHED C[C@H](NCc1cc(Cl)ccc1O)c1ccc(C#N)cc1 37508468 IHCIFHXXGRNMIT-NSHDSACASA-N 286.762 3.768 30 20 CHED C=CCN(Cc1ccccc1)Cc1c(CC)noc1C 162755562 HEZOPRCHNHROJL-UHFFFAOYSA-N 270.376 3.734 30 20 CHED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CC#N 274700028 UDVFMQVMEJVAGX-ZDUSSCGKSA-N 284.384 3.752 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1c(C)oc(C)c1C 49524595 CSIYZXPKGPQXDV-UHFFFAOYSA-N 268.316 3.637 30 20 CHED COCc1cccc(CNc2cc(Cl)ccc2C#N)c1 62785339 JFIFXBFSCFLAIH-UHFFFAOYSA-N 286.762 3.970 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@H]1CC1(Cl)Cl 309514017 QPTJDHIBQAIXSA-MRVPVSSYSA-N 275.566 3.817 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 78835878 NKJXPJWDIRDSNZ-SCZZXKLOSA-N 269.270 3.573 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@@H](C(C)C)CC1 79343126 IYYWULACMWQKDB-CQSZACIVSA-N 264.413 3.601 30 20 CHED N#C[C@H](/N=C(/O)[C@H]1CC12CCCC2)C1CCCCC1 328983598 FSAFJNFNWFJCNP-KGLIPLIRSA-N 260.381 3.996 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC[C@H]2C2CC2)s1 421351668 OGTSERYDBJXSCO-LSDHHAIUSA-N 260.406 3.678 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 531562463 YYGLCSJUESEEMR-CYBMUJFWSA-N 260.356 3.709 30 20 CHED N#Cc1ccncc1NCc1c(Cl)cccc1Cl 539842194 CDFBFIASQSFURG-UHFFFAOYSA-N 278.142 3.872 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 556810332 CVVHMTPYCBCBQP-BZUAXINKSA-N 276.424 3.744 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cccs1 470645637 RKMXDKVFJUALQI-UHFFFAOYSA-N 271.385 3.967 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C 702267281 PRXSFHFDSYVESK-UTUOFQBUSA-N 261.331 3.745 30 20 CHED N#Cc1ccc(N2CCC(C3CCCCC3)CC2)cn1 708861525 UJMUAQXLJVOZOA-UHFFFAOYSA-N 269.392 3.750 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1CCCCC1(F)F 381542972 SERABLBHPFLRKO-LLVKDONJSA-N 268.282 3.935 30 20 CHED N#CCC1CCN(CCc2ccc(Cl)cc2)CC1 397161895 VNKVWWZMWWNVGS-UHFFFAOYSA-N 262.784 3.508 30 20 CHED C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H](C)C1 443640166 MNACYAUGROEOKR-QWHCGFSZSA-N 260.356 3.565 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)C1CCCCC1 7689375 KETRUOYLYKTBIL-UHFFFAOYSA-N 293.750 3.706 30 20 CHED C#CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1 8570501 GBVLVQPREHYGIJ-UHFFFAOYSA-N 293.366 3.822 30 20 CHED CC(C)[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 52029295 XKJVTFMRCMQVHW-CQSZACIVSA-N 284.384 3.747 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@H]1C)c1nc(-c2ccccc2)cs1 57329466 LVDDEDWPPJNAMN-GXTWGEPZSA-N 298.411 3.985 30 20 CHED C=CCn1c(C)nnc1S[C@H](C)c1cccc(F)c1 59832547 RRLQQGXZGZSRHV-SNVBAGLBSA-N 277.368 3.765 30 20 CHED CC[C@@H](C#N)NC(=O)CC1CCC(c2ccccc2)CC1 108264413 ZKMBCVUSDSNKRI-PREGVCBESA-N 284.403 3.769 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2c(c1)CCC2 178375221 DVBRTKUDWQXZKJ-UHFFFAOYSA-N 276.339 3.608 30 20 CHED C=CCOc1ccc(OC(=O)c2cc(C(C)C)on2)cc1 179340086 HVJVYZAJYNSCLM-UHFFFAOYSA-N 287.315 3.582 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CC=CCC1 62502747 ILNWQNJEMMDDFF-GOSISDBHSA-N 298.430 3.783 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 119839907 XKDRAYSZSRAAGH-DLBZAZTESA-N 269.388 3.633 30 20 CHED COc1ccc(F)cc1[C@H](C)NCCCC(C)(C)C#N 179924060 PEIRSOKTUJJIFH-LBPRGKRZSA-N 278.371 3.815 30 20 CHED N#CCN1CCC(c2cccc3ccccc23)CC1 58525071 FVYCYKGQECADLD-UHFFFAOYSA-N 250.345 3.543 30 20 CHED C=C[C@H](CC(=O)N(CC(F)F)C(C)C)c1ccccc1 179325655 YIMFAALLOYQDET-CYBMUJFWSA-N 281.346 3.848 30 20 CHED C/C(=C\C(=O)Nc1ccc(F)cc1C#N)c1ccccc1 177572221 VJMWFSYKPINDEK-FMIVXFBMSA-N 280.302 3.739 30 20 CHED CCOC(C)(C)CNc1ccc(C#N)cc1C(F)(F)F 302506431 QTCWPOUMKQMGQB-UHFFFAOYSA-N 286.297 3.804 30 20 CHED CN(CCC#N)C(=O)Nc1ccccc1Cc1ccccc1 176542969 MIXOUOJTVLTGGK-UHFFFAOYSA-N 293.370 3.655 30 20 CHED N#Cc1cccc(N[C@@H](c2ccccc2)c2ccccn2)n1 301279718 NNSSHEUQQQETDD-SFHVURJKSA-N 286.338 3.550 30 20 CHED N#Cc1cccc(NCCSc2ccc(Cl)cc2)n1 301264722 HFWFFTJSFHDJNU-UHFFFAOYSA-N 289.791 3.811 30 20 CHED Cc1cccc2nc(CNc3c(Cl)cccc3C#N)cn12 301382261 AOHQSWRTCZWLEV-UHFFFAOYSA-N 296.761 3.780 30 20 CHED CC(=O)Nc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1 172045034 VNEHOMWYPNAFFE-ZSOIEALJSA-N 295.313 3.607 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(OC)c2ccccc12 175472044 YLXUWYRZOGBPPV-UHFFFAOYSA-N 281.355 3.663 30 20 CHED Cc1cc(C(=O)N(C)Cc2cccc(C#N)c2)ccc1Cl 119631127 ZXIAHCXXKIQCAJ-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CC(C)Oc1ccc(NCc2ccccc2C#N)cc1C#N 178787822 BSAMPEOQOMIWFU-UHFFFAOYSA-N 291.354 3.829 30 20 CHED CC(C)N(C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 177714356 ROOLSAYMUXYCNP-SFHVURJKSA-N 280.371 3.507 30 20 CHED CC(C)CSCCCNc1snc(Cl)c1C#N 301850961 PEJQZXNLUJIDPM-UHFFFAOYSA-N 289.857 3.859 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)CCC 68742964 WVXZNYGIQHPRAE-CQSZACIVSA-N 270.376 3.509 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 122371425 JPDHUWMLGMGXMU-DOMZBBRYSA-N 288.391 3.532 30 20 CHED C[C@H](CC(=O)NCc1ccc(C#N)c(F)c1)CC(C)(C)C 404575199 OFOBYOUKIGJLRV-GFCCVEGCSA-N 290.382 3.776 30 20 CHED CCCCCCCC(=O)NC1(C(=O)OC)CCCCCC1 219545763 MBBGRNIEWOITNI-UHFFFAOYSA-N 297.439 3.729 30 20 CHED Cc1nc(Oc2cc(Cl)ccc2C#N)ccc1[N+](=O)[O-] 474790260 CNSZSEULOWWYDO-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1 122885962 MNXZGNCHIYFRGF-AWEZNQCLSA-N 250.345 3.751 30 20 CHED N#CCCN(CCC#N)Cc1ccc(-c2ccccc2)cc1 121957068 FFPAQXPFNGIRIP-UHFFFAOYSA-N 289.382 3.983 30 20 CHED CCc1cnc(CN(CC)[C@H](C)c2ccc(C#N)cc2)o1 75645761 LKZYWEPPEZOMTQ-CYBMUJFWSA-N 283.375 3.692 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 183224761 RRKLOPYHIRDWRA-MLGOLLRUSA-N 290.382 3.667 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(SCC#N)c1 79382305 NNXFJKAATFCXDW-WFASDCNBSA-N 288.416 3.611 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(C#N)c2)cc(C)c1O 213184693 URHDPDUIMPQBJD-SREVYHEPSA-N 277.323 3.777 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1cc(C)ccn1 184120332 PWALLUGXOKWBPH-UHFFFAOYSA-N 287.388 3.672 30 20 CHED CCOc1ccccc1[C@H](C)NCc1ccc(C#N)cc1 37748295 INNQUESFXKRFIF-AWEZNQCLSA-N 280.371 3.808 30 20 CHED CC(C)CN(Cc1cc(C#N)cs1)CC(C)C 505433483 PQEWTEHNHKRJQO-UHFFFAOYSA-N 250.411 3.734 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)s2)[C@@H]1C#N 444713831 BWPARWBKFMUFBN-LLVKDONJSA-N 268.813 3.916 30 20 CHED C=C(C)CN(C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 181292521 MGLMAAVJJUGNHU-LLVKDONJSA-N 291.782 3.959 30 20 CHED CCN(CCCc1ccc(Cl)cc1)C[C@@H](C)C#N 77269159 XZFNDDFDTPKKBB-ZDUSSCGKSA-N 264.800 3.754 30 20 CHED Cc1ccc(OC2CCN([C@H](C)CCC#N)CC2)cc1C 411172717 MPDRWMYDOZINNO-MRXNPFEDSA-N 286.419 3.839 30 20 CHED CCCc1ccc(NC[C@H](O)c2ccc(C#N)cc2)cc1 37887554 NBJFZVAETCWUSG-SFHVURJKSA-N 280.371 3.656 30 20 CHED CC(C)(C(=O)N[C@H](C#N)c1ccccc1Cl)C1CCC1 410643232 OSLKDSVGHPPWJT-CQSZACIVSA-N 290.794 3.847 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)NCC#Cc2ccccc2)CC1 509691989 FTQOFQMDMVICHG-IYARVYRRSA-N 283.415 3.617 30 20 CHED CSc1ccc(Nc2c(C#N)nnc3ccccc23)cc1 77187909 KEIJPALFFHXRIR-UHFFFAOYSA-N 292.367 3.967 30 20 CHED C=C(C)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 121819555 ZKFNDFHNZHUMBR-GFCCVEGCSA-N 273.355 3.547 30 20 CHED C=CC[C@@H](C(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1 509384809 BPYZCEBWGIBPHO-QXCZDIPSSA-N 295.426 3.851 30 20 CHED COc1cc(C#N)ccc1CN(C)c1cccc(C)c1 501203105 HQKIAIWCEAGNPN-UHFFFAOYSA-N 266.344 3.512 30 20 CHED C=C(C)[C@@H](NC(=O)N(C)C(C)C)c1ccc(F)c(F)c1 185841696 PYJOIWAGCARICL-CQSZACIVSA-N 282.334 3.632 30 20 CHED CCC(C)(C)c1ccc(CN(C)C[C@H](C)C#N)cc1 509870194 ZBUDDWAIMKNIDU-CQSZACIVSA-N 258.409 3.966 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419652819 VSUIVFPQEWRRSJ-PBFPGSCMSA-N 297.402 3.518 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N1CCC(C#N)CC1 500020247 QOBAYYNJDRXORT-MRXNPFEDSA-N 276.424 3.745 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccccc1OC(C)C 182623668 RRFQODVXEQYSBT-HNNXBMFYSA-N 289.419 3.877 30 20 CHED C[C@H](CCCc1cccnc1)Nc1cccc(F)c1C#N 413404895 XNCGUFKYXOQRQI-CYBMUJFWSA-N 283.350 3.916 30 20 CHED C#CCCCCC(=O)Nc1ccc(OCC)c2cccnc12 185457213 SWMZGGRTIUJAGN-UHFFFAOYSA-N 296.370 3.766 30 20 CHED C=CCCOCC(=O)N(C)c1ccc(C(C)(C)C)cc1 138721364 OXDZQMJOOVQZJI-UHFFFAOYSA-N 275.392 3.540 30 20 CHED Cc1cc(C)c(-c2nnc(S[C@H](C)C#N)o2)c(C)c1 75457078 JSEAYYASZYAMGT-LLVKDONJSA-N 273.361 3.666 30 20 CHED C[C@H](c1cc(F)ccc1F)N(C)CCC(C)(C)C#N 131170631 BJDLXYQJRRKKKU-LLVKDONJSA-N 266.335 3.897 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 285054976 JBESAMXIAVMNNM-AWEZNQCLSA-N 299.201 3.892 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2cccc(C#N)c2)cc1 43330007 AWFKKNKQDZTCPK-UHFFFAOYSA-N 279.343 3.531 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@](C)(C=C)CC 413979179 AQIBASIJHPCUCO-SJLPKXTDSA-N 271.404 3.892 30 20 CHED C=CC1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)CC1 133314041 IPLSEYXRARQKOR-CYBMUJFWSA-N 291.822 3.943 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H]1c1cccc(F)c1 610282639 XQCHRNOTYSCXSJ-HNNXBMFYSA-N 270.282 3.788 30 20 CHED Cc1cc(C#N)cc(C)c1OCCCOC(C)(C)C 610682063 VPEHHTIIDDBVEH-UHFFFAOYSA-N 261.365 3.759 30 20 CHED CCc1nnc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c(C#N)c1CC 226609940 VFQMIKRIUCDDSM-RWMBFGLXSA-N 286.423 3.710 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC(C)(C)CC 429026586 ZMLGQMWNGGVXEA-UHFFFAOYSA-N 274.408 3.820 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 194393545 GOILNTISXXORIN-ZBFHGGJFSA-N 275.392 3.625 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1C[C@H]1C1CCC1)c1ccccc1 424906279 KMJXEPDUFQWVPR-BZSNNMDCSA-N 283.415 3.899 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)c1 429366050 KHRDTIKWWIFDLR-XJKSGUPXSA-N 286.375 3.658 30 20 CHED CCc1ccc([C@H](Nc2cncc(C#N)n2)C(C)C)cc1 420587690 POWNBIXQWOXNRS-QGZVFWFLSA-N 280.375 3.720 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1 134748979 PNLQUPJJUIDMAY-WFASDCNBSA-N 298.386 3.829 30 20 CHED C[C@@H]1C[C@@]1(NCc1ccc(C#N)cn1)c1ccc(Cl)cc1 518996071 RZWLTLHRGUKCKZ-PXAZEXFGSA-N 297.789 3.632 30 20 CHED Cc1ccnc(Oc2ccc(Cl)cc2F)c1C#N 381070050 BLYVHOADGCDVDR-UHFFFAOYSA-N 262.671 3.847 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2ccc3ncsc3c2)CCC1=O 328957468 ZQHOTSSVVWDDMH-NXEZZACHSA-N 288.372 3.890 30 20 CHED CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 45029711 KQXAGVKZVTXINT-KRWDZBQOSA-N 291.354 3.709 30 20 CHED CCCCCCCC(=O)N(CC(F)(F)F)C1CC1 194286281 AXALLRXLFXZHJK-UHFFFAOYSA-N 265.319 3.900 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(OC)cc1 192147929 MJFHTXGLUZWBOF-GOSISDBHSA-N 298.361 3.947 30 20 CHED Cc1nc(C)c(C/N=C(/O)Cc2ccc3c(c2)CCCC3)o1 329201184 WMMSENQAUKMOAQ-UHFFFAOYSA-N 298.386 3.869 30 20 CHED COCC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C(C)(C)C 511002293 VDYBLMFAAICBTH-WBMJQRKESA-N 292.398 3.799 30 20 CHED Cc1c(Br)cccc1N[C@H]1CC[C@@H](C#N)C1 381356633 DHYAWLNZPLCUOD-MNOVXSKESA-N 279.181 3.862 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](OC)c1ccc(Cl)cc1 424679251 CQKXDGHQHSVEMG-AWEZNQCLSA-N 295.810 3.746 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](C)c1cccc(C)c1 424673164 AGOGOMBUDUMAHQ-CQSZACIVSA-N 259.393 3.817 30 20 CHED C=CCSCCNC(=O)c1cc2ccccc2s1 194500134 IPNFCWLYLZUWLD-UHFFFAOYSA-N 277.414 3.550 30 20 CHED N#Cc1c(F)cccc1NCCCn1cnc2ccccc21 198223759 MQWCGNLXXBXZDW-UHFFFAOYSA-N 294.333 3.549 30 20 CHED COc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1OC(C)C 193287875 HORFDRCDMCWTCK-KBPBESRZSA-N 288.391 3.977 30 20 CHED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)o1 336499489 UFGNROKHABMZOT-HNNXBMFYSA-N 280.327 3.519 30 20 CHED COC1(C/N=C(/O)c2cccnc2C2CC2)CCCCC1 330007694 DUGDKUAXNVUJSH-UHFFFAOYSA-N 288.391 3.613 30 20 CHED CCN(C(=O)[C@]12CCC[C@H]1C2)c1ccc(C#N)c(Cl)c1 335071343 CCXMBIWJISRMDU-LRDDRELGSA-N 288.778 3.755 30 20 CHED C#CCCCC(=O)NCc1ccc(Oc2ccccc2)cc1 192102259 HVFIBDSGGVQWBU-UHFFFAOYSA-N 293.366 3.899 30 20 CHED CC(C)[C@H](C)NC(=O)CS[C@H](C)c1cccc(C#N)c1 190887722 VFRUYJVFMJVYAK-QWHCGFSZSA-N 290.432 3.513 30 20 CHED CC[C@H](N[C@@H](CN)C1CCCCC1)c1ccc(C#N)cc1 423270073 WMBQUPHOHJKSJN-ROUUACIJSA-N 285.435 3.507 30 20 CHED C[C@@H]1CCC[C@H](CNCc2ccc(N(C)CCC#N)cc2)C1 237351635 OWIIEMAETDIXKN-AEFFLSMTSA-N 299.462 3.952 30 20 CHED Cc1nnc(NCC[C@@H]2CCCC[C@H]2C)c(C#N)c1C 511737271 DAPDAXSSXSUMNV-RISCZKNCSA-N 272.396 3.593 30 20 CHED C=CCCOCCN[C@@H](c1ccc(OC)cc1)C(C)C 91406675 ZYFLJTRCNPVNDE-QGZVFWFLSA-N 277.408 3.575 30 20 CHED Cc1ccc(C(=O)NCCC#N)c(Sc2ccccc2)c1 427607573 UNCLOESXZSBBIR-UHFFFAOYSA-N 296.395 3.790 30 20 CHED Cc1ccc(-c2n[nH]c(S[C@H]3CC[C@@H](C#N)C3)n2)cc1 336266328 USMCDQWGIZYERP-YPMHNXCESA-N 284.388 3.565 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCCC#N 332735791 VBAGOGFUVSONMP-MAUKXSAKSA-N 284.403 3.756 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2cc(F)cc(F)c2)c1 335809430 FRBQPHHETWBDOB-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=C(CC)CN1CCC[C@@H](CN2CCCC[C@@H]2C)C1 536893230 LIOHQWKUKWIUHA-DLBZAZTESA-N 264.457 3.539 30 20 CHED C=CCCC(=O)N(CC(C)C)c1cccc(OC)c1 338607213 PFQVFLBXBUMXCE-UHFFFAOYSA-N 261.365 3.650 30 20 CHED CC1=C[C@H](C)CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 335898427 USCVVBGCUXCBPM-ZDUSSCGKSA-N 297.402 3.918 30 20 CHED N#Cc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1F 335870095 FIWTZQJPMYLAHF-INIZCTEOSA-N 296.345 3.570 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2cccc(C#N)c2)C1 336146695 PILBDDHZGHACTI-RDTXWAMCSA-N 277.371 3.536 30 20 CHED C=CCC[C@H](NCCN(C)Cc1ccc(F)cc1)C1CC1 438979822 QZYMOFGRFHJBCN-SFHVURJKSA-N 290.426 3.592 30 20 CHED CCN(CC#N)Cc1cc(-c2ccccc2)cs1 92399114 VDDXSKMSRYYVLO-UHFFFAOYSA-N 256.374 3.761 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCCc2ccc(F)cc21 91230225 MMUPEVBXDSKTSH-MRXNPFEDSA-N 288.366 3.587 30 20 CHED CCN(Cc1cc2cc(F)ccc2o1)C[C@@H](C)C#N 91982439 BPQOPVFZTPQIDR-NSHDSACASA-N 260.312 3.553 30 20 CHED CC(C)(C)c1cnc(NC(=O)c2cc(C#N)cs2)s1 336454959 HCOOITRBMGHIEL-UHFFFAOYSA-N 291.401 3.626 30 20 CHED C=CCCC(=O)N(CC)c1ccc(C#N)c(Cl)c1 91206518 JNLNNDXQULSLEB-UHFFFAOYSA-N 262.740 3.531 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(F)c(C)c1 432794011 RKKGONNFFRAJPP-UHFFFAOYSA-N 264.344 3.858 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H](c2ccccc2)C1 431316509 WTQUWNVOMBAMLT-SJORKVTESA-N 286.419 3.930 30 20 CHED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C(C)C 341759241 GWEGKOJKGXTONM-SJORKVTESA-N 256.393 3.960 30 20 CHED C=C(CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 340855614 VYVVGSWTFUIITL-UHFFFAOYSA-N 279.299 3.592 30 20 CHED CCCc1nnc(SCc2ccc(C#N)cc2Cl)o1 438891292 TYAOWCINPDEOTM-UHFFFAOYSA-N 293.779 3.839 30 20 CHED CCC(C#N)(CC)c1nc([C@@H]2CCC(F)(F)C2)no1 528192053 ZOZUNYCGCRMJTJ-SECBINFHSA-N 269.295 3.554 30 20 CHED Cc1ccc2ccnc(NCC(C)(C)CC#N)c2c1 521617394 CNWKHUQHRXCGMI-UHFFFAOYSA-N 253.349 3.895 30 20 CHED N#CCOc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 249336911 ZJQIRKNMFSONHB-GYFISPQKSA-N 296.414 3.503 30 20 CHED C=CCC[C@@H](NS(=O)(=O)CCC(C)C)c1ccccc1 435123480 HEOUDZBHLOPMNW-MRXNPFEDSA-N 295.448 3.659 30 20 CHED C[C@@H](C#N)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 609921259 DSQWJZDORUVXAQ-LBPRGKRZSA-N 298.773 3.783 30 20 CHED C[C@H](CNCc1cccc(OCCCC#N)c1)C1CC1 608861028 JZVXGBHWNSJSHS-CQSZACIVSA-N 272.392 3.505 30 20 CHED Cc1cc([C@@H](NCCCCC#N)c2cccnc2)ccc1F 346556817 JZSLFJLNKJVMBF-GOSISDBHSA-N 297.377 3.902 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1cncc(F)c1 439620532 ARZBXBVEUUVLTK-UHFFFAOYSA-N 291.351 3.502 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(C(C)(C)C)cc1 540396102 ARYAACNCZTWZLK-GJZGRUSLSA-N 275.436 3.819 30 20 CHED C[C@@H](Cc1ccccc1F)NCC(C)(C)CCC#N 348232318 RZSVENHWRBUJCF-ZDUSSCGKSA-N 262.372 3.676 30 20 CHED COCCOc1ccccc1/C=C\C(=O)c1ccc(C)o1 255393718 BGAMFAHHBJFDOE-HJWRWDBZSA-N 286.327 3.509 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(C2CC2)ncn1 603399769 PDOOVPDNEYMCKE-MRXNPFEDSA-N 290.370 3.715 30 20 CHED C=CCCCNc1cccc(CC(=O)OC(C)(C)C)c1 525176207 UKOYRRDQHXZXIZ-UHFFFAOYSA-N 275.392 3.949 30 20 CHED CCCN(CC#N)C(=O)c1ccc(C(C)C)c(Cl)c1 342423477 QLWCQVXCANUVRF-UHFFFAOYSA-N 278.783 3.839 30 20 CHED CCCCCn1cc(CNc2ccc(C#N)cc2)c(C)n1 348107980 RNKVWSHEHUWGKL-UHFFFAOYSA-N 282.391 3.866 30 20 CHED Cc1csc(NC(=O)CCCC(F)(F)F)c1C#N 344930399 QBIQMQRRWACBJV-UHFFFAOYSA-N 276.283 3.599 30 20 CHED CCCN(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 520952876 HJVPLADXCRUNSF-UHFFFAOYSA-N 277.367 3.568 30 20 CHED N#C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C1CC1 601072245 GLYKHMHKDLOJRF-NSHDSACASA-N 291.763 3.784 30 20 CHED CC1(C#N)CCN(Cc2csc(C(F)(F)F)c2)CC1 600148340 SAILIRAZPZHMIX-UHFFFAOYSA-N 288.338 3.893 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC=C(c2ccc(C)nc2)CC1 442811991 PWRQEAGXJJPRPG-SFHVURJKSA-N 284.403 3.608 30 20 CHED CC(C)(CCC#N)CNc1ccc2oc(CO)cc2c1 603433800 WHXBRFSUNUNKHW-UHFFFAOYSA-N 272.348 3.667 30 20 CHED C=CCOc1ccc(CN[C@@H](CC)[C@@H](O)CC)cc1Cl 449636593 DQVLVTCEEAHXHP-GJZGRUSLSA-N 297.826 3.544 30 20 CHED Cc1cccc(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)c1C 448283994 QAVIGRAGWWGHPU-RTBURBONSA-N 298.430 3.731 30 20 CHED CON=Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1 255430606 PVXOPVRXEMSKKD-UHFFFAOYSA-N 282.343 3.536 30 20 CHED C[C@@H](Sc1cccc(C(N)=O)c1)c1ccc(C#N)cc1 351727636 PNHBJOUEQUGBAF-LLVKDONJSA-N 282.368 3.510 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1OC(C)C 604895533 VAYZZFMOCAPSGJ-KBPBESRZSA-N 290.407 3.799 30 20 CHED Cc1cccc2c1CCN2c1cccc(F)c1C#N 608778932 JXHZKDUXWDOVAZ-UHFFFAOYSA-N 252.292 3.700 30 20 CHED CC[C@H](NC[C@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1 448024233 XEZULHAGQVDZNO-ZWKOTPCHSA-N 299.462 3.719 30 20 CHED C=CCCC(=O)Nc1ccc(F)cc1NC(C)C 266104677 RANLESIIUUWANB-UHFFFAOYSA-N 250.317 3.551 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@@H](c2ccccc2)CC1 350752231 MLPZDILUYLGRHO-QGZVFWFLSA-N 296.418 3.547 30 20 CHED C=CCC1(CN[C@@H]2CCO[C@H](C(C)C)C2)CCCC1 449604549 KPXBUYMVYCXQKO-CVEARBPZSA-N 265.441 3.916 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)[C@]1(C#N)CC12CCCC2 449900660 VSRSGYCEOBUVID-CXAGYDPISA-N 276.424 3.791 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSc1ccccc1OC 537228004 BBEXRTVQVFDIRW-CYBMUJFWSA-N 293.432 3.648 30 20 CHED CC(C)(C)[C@H](COc1ccccc1F)NCC1(C#N)CC1 539493346 KYYLXVRXDXGOAZ-HNNXBMFYSA-N 290.382 3.513 30 20 CHED C=C(C)CCN[C@@H](C)CC(=O)Nc1ccccc1CC 449475572 LMUIPYSBILGLHF-AWEZNQCLSA-N 274.408 3.522 30 20 CHED C=CCNC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 536099845 QYXQEKZOTBZKHT-INIZCTEOSA-N 272.392 3.843 30 20 CHED Cc1cc(COc2cnc3ccccc3c2)ccc1C#N 447411086 ZPJMBZFCHODNFV-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C[C@@H]1CCCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 356815849 CVHCGLZFMBWKIV-WBVHZDCISA-N 284.403 3.723 30 20 CHED C=CC[C@H]1N(C(=O)Nc2cc(C)ccn2)CCCC1(C)C 444937604 RBMYRBKGOBREHC-CQSZACIVSA-N 287.407 3.989 30 20 CHED COC1CCC(CCN[C@@H]2CCc3ccc(C#N)cc32)CC1 353682735 YOAQHEPMKHDTSK-ITXXBFQVSA-N 298.430 3.730 30 20 CHED CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CCC(C)(C)C1 355528121 SALVFSNHKXNLBZ-LBPRGKRZSA-N 290.794 3.862 30 20 CHED CCCC(=O)Nc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442856909 DUFGFAJSTLSQGK-DOMZBBRYSA-N 271.364 3.529 30 20 CHED C=CCC[C@@H](CCC)Nc1cccc(N2CCC2=O)c1 448265707 ZLJQFYGEXKJJKT-CQSZACIVSA-N 272.392 3.970 30 20 CHED CCC(CC)n1ccc(CSc2ccc(C#N)cn2)n1 269324126 GDBKSTXEUMDBKH-UHFFFAOYSA-N 286.404 3.803 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 449923447 OFARNQWJGMSICT-JOYOIKCWSA-N 281.758 3.663 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)c1nnc(C)s1 449234483 BZVAQTKVVOUJDZ-GHMZBOCLSA-N 253.415 3.632 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1 617777330 MMXDAPACAGYUCG-INIZCTEOSA-N 289.394 3.963 30 20 CHED N#CC1(CN(c2ccc(F)cc2)C2CCCC2)CC1 539449357 JJORWSSZOVTXFH-UHFFFAOYSA-N 258.340 3.878 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@](C)(C#N)C2)CC1 612243550 VNSVTJLKUYDFTM-BFYDXBDKSA-N 276.424 3.601 30 20 CHED C=CCCCCCN1CCC[C@@H](C(C)(C)C(=O)OC)C1 618752378 UJZXLTPBSAFAAR-OAHLLOKOSA-N 281.440 3.644 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1 617788831 SHKVRJUZAIMVGM-AWEZNQCLSA-N 296.370 3.770 30 20 CHED Cc1ccc2c(C(=O)N3CCC[C@](C)(C#N)C3)csc2c1 619503377 IJTSBPHDBOXWBD-QGZVFWFLSA-N 298.411 3.976 30 20 CHED CSc1ccc(Cl)cc1NC(=O)N(C)C[C@H](C)C#N 264054021 JSXBTZZJUITHLO-SECBINFHSA-N 297.811 3.685 30 20 CHED Cc1cccc(F)c1NC(=O)N[C@@H](C)c1cccc(C#N)c1 613147032 LVLCATSXSWXSCE-LBPRGKRZSA-N 297.333 3.889 30 20 CHED CC(C)(C#N)CCCSc1nnc(-c2ccncc2)o1 267021876 JPJKNRMIVINLFH-UHFFFAOYSA-N 288.376 3.554 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1 457986543 GJZSGXFCAWKTOF-GVDBMIGSSA-N 284.403 3.625 30 20 CHED Cc1cccc2c1N(Cc1ccc(C#N)cc1F)CC2 533377627 UOHLZGXSXUHGES-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=CCN(Cc1coc(-c2ccc(F)c(F)c2)n1)C1CC1 367561415 AEWWEGWSWXQAFF-UHFFFAOYSA-N 290.313 3.770 30 20 CHED C=CCN(Cc1cnc(C2CC2)nc1)c1ccccc1 459499243 WJNGJDYKVINOIS-UHFFFAOYSA-N 265.360 3.547 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(Cl)cn1 618694626 XOAOCYHGMKHNLX-AWEZNQCLSA-N 269.735 3.706 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCc3c(O)cccc32)C1 617780241 RCASWEKUWOGSAB-RHSMWYFYSA-N 299.414 3.627 30 20 CHED Cc1cccc2c(N3C[C@@H](C)[C@@H](C)C3)c(C#N)cnc12 610587448 WLDJNYHDMZCQLI-BETUJISGSA-N 265.360 3.507 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 611115198 SWACBHISJVUUDN-QKPAOTATSA-N 276.424 3.647 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 453256858 NHJXKGDYCBZAIE-HNNXBMFYSA-N 287.319 3.807 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1ccccc1 458306637 TZFVBRUEZYQAMM-QZWWFDLISA-N 269.388 3.651 30 20 CHED C[C@H](C(=O)NCC(C)(C)C#N)c1c(Cl)cccc1Cl 611688538 VORCRJLFWDEPJL-VIFPVBQESA-N 299.201 3.763 30 20 CHED CC1(C#N)CCC(Nc2ccc(F)c(F)c2)CC1 451149531 PZJDWGFVQBSWAD-UHFFFAOYSA-N 250.292 3.849 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)CC1(C#N)CCC1 451035895 GNUXHJLBNIRNES-INIZCTEOSA-N 272.392 3.772 30 20 CHED C=C(CC)CNC(=O)CC1CC(c2ccccc2)C1 456809068 AIYOBSZZRURHTG-UHFFFAOYSA-N 257.377 3.653 30 20 CHED Cc1cc(N[C@@H](C)c2ccc(F)cc2F)nn1CCC#N 271036442 QELRNFGTEPEGBR-NSHDSACASA-N 290.317 3.557 30 20 CHED C=CC1CCN(c2nnc([C@@H](C)CC)n2CC(C)C)CC1 549843497 ZFGMCMPUQHONBL-AWEZNQCLSA-N 290.455 3.850 30 20 CHED CCCCOc1ccc(C(=O)N(C)CCC#N)c(Cl)c1 274616594 RVKJKUQVIUOXHG-UHFFFAOYSA-N 294.782 3.505 30 20 CHED CCN(CCC#N)C(=O)C(C)(C)Cc1cccc(Cl)c1 270988946 FYFIALXPUXDODQ-UHFFFAOYSA-N 292.810 3.671 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 541598393 MDIZOWSBNVDXIJ-AWEZNQCLSA-N 290.794 3.910 30 20 CHED CO[C@H]1CCCC[C@@H]1NCc1ccccc1C(C)(C)C#N 275182937 DOQUQXUYNFDGPI-IRXDYDNUSA-N 286.419 3.535 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ncc(-c2ccccc2)s1 362495932 DLFRXGQZKOYXAW-SNVBAGLBSA-N 273.361 3.506 30 20 CHED C=C(C)CCc1noc(Cc2ccc(Cl)c(OC)c2)n1 453177850 HGWVVOQLTSJDLY-UHFFFAOYSA-N 292.766 3.831 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(C)CC1 549669193 FPGPOELRTGCTTH-UHFFFAOYSA-N 288.439 3.748 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@@H](c3ccccc3F)C2)n1 360266555 LMBYUDRTZNTSMO-CHWSQXEVSA-N 281.334 3.841 30 20 CHED C=CC(C)(C)c1nc(CCn2ccc3ccccc32)no1 453156435 VYYNBQKATKFJJW-UHFFFAOYSA-N 281.359 3.731 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cnc3ccccc3c2)no1 547037467 DHZCFPVWUMLZLE-GFCCVEGCSA-N 295.342 3.939 30 20 CHED Cc1nc(Nc2ccc3c(c2)ncn3C)c(Cl)cc1C#N 360049955 HZBOLJJSERUKSG-UHFFFAOYSA-N 297.749 3.545 30 20 CHED C=CCNC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 540050310 PNSMKKPBVQMGLU-VIFPVBQESA-N 299.201 3.808 30 20 CHED C=CCN(C(=O)CCCOc1ccccc1)C(C)(C)C 622942999 JUVVQRXOPJEZRH-UHFFFAOYSA-N 275.392 3.659 30 20 CHED N#CCc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 542205508 QCSITKGFCOYIIP-UHFFFAOYSA-N 280.346 3.671 30 20 CHED C=CCC1(C(=O)N2CCC([C@H]3CCCO3)CC2)CCCC1 451017837 QDKKDGBRZQYOQZ-MRXNPFEDSA-N 291.435 3.541 30 20 CHED Cc1ccc(C)c(OCCCN2CCC(CC#N)CC2)c1 542879147 KKWJPTRNYCUREN-UHFFFAOYSA-N 286.419 3.698 30 20 CHED C#CC[C@H](NCc1cccc(OCC)c1)c1ccccc1 270256367 VGPXADSRMNLHFK-IBGZPJMESA-N 279.383 3.940 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 279938578 LMTPLZIXZYAPGU-GOEBONIOSA-N 287.378 3.628 30 20 CHED C[C@H](C(=O)N(C)[C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 462343829 WQDWAAAEQVRLKQ-XJKSGUPXSA-N 284.403 3.699 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1ccc(SC)cc1 547288206 GHZYQUMFBAHSEU-AWEZNQCLSA-N 292.448 3.605 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1C 620863106 GENAFIHRYOXZJK-UHFFFAOYSA-N 297.402 3.655 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2c(C)cc(C)cc2C1 466376740 MXAZTIHTCNWSMC-MRXNPFEDSA-N 286.419 3.726 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SC[C@H](C)CC 464796793 WFDLOAKYOYAZSB-OLZOCXBDSA-N 257.443 3.579 30 20 CHED Cc1ccncc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 370814486 KYYUHKCFTIYHDE-RBUKOAKNSA-N 291.398 3.662 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccccc1 280537581 CPZSYQJGWOEKLF-ULQDDVLXSA-N 259.393 3.709 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(F)c(C#N)c2)C1 285168680 ZNOQGLKZXPBXDR-CQSZACIVSA-N 288.366 3.596 30 20 CHED Cc1cccc(NCCCC2(C#N)CCOCC2)c1C 281351871 XCWRHZPJXGUVLQ-UHFFFAOYSA-N 272.392 3.816 30 20 CHED Cc1nn(C)cc1[C@H]1CCCN1CCCCC(C)(C)C#N 375403361 JSHJKQGTYBSVOG-MRXNPFEDSA-N 288.439 3.586 30 20 CHED CC[C@@H](N[C@H]1CCN(C2CCCC2)C1)c1ccc(C#N)cc1 370053287 NEQIAMZZGAZREW-PKOBYXMFSA-N 297.446 3.616 30 20 CHED CCc1ccc(NC(=O)CC(C)(C)C#N)cc1Cl 552365930 CCOBBRUEBLCCGR-UHFFFAOYSA-N 264.756 3.781 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1C 281355020 WZTMJIHRTUEILK-UONOGXRCSA-N 284.403 3.606 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@H](c3ccco3)C2)cc1 371332935 RZGHQGMBNFRHJJ-HOCLYGCPSA-N 296.370 3.560 30 20 CHED C=CCC[C@@H](NCc1cnc(OC)s1)c1ccccc1 638785320 UZNSAMXGIKHURV-OAHLLOKOSA-N 288.416 3.949 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 281421123 QUWVPSSUPJPQCM-DZGCQCFKSA-N 290.407 3.752 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(C)nn(-c2ccccc2)c1C 281625559 GDAUSTSHFVOAQZ-HNNXBMFYSA-N 297.402 3.574 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] 467416804 HQPPXQBLTSMCBD-DZGCQCFKSA-N 276.380 3.860 30 20 CHED CC(C)c1ccoc1C(=O)N[C@H](C#N)C1CCCCC1 284368708 ZUNUFVYVRVLTJG-CQSZACIVSA-N 274.364 3.605 30 20 CHED Cc1ccc(N(C)CCCC2(C#N)CCOCC2)cc1C 281946705 JIIUYSQSNOLGKH-UHFFFAOYSA-N 286.419 3.840 30 20 CHED CCOc1ccc(C#N)cc1NCCCCOC(C)(C)C 473659740 LCJDRYFEYGQLHJ-UHFFFAOYSA-N 290.407 3.964 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc2nc(C3CC3)sc2c1 806243677 QTIPUTAUBOYYHI-LLVKDONJSA-N 299.399 3.707 30 20 CHED C=C(C)COCCN[C@H](c1cc(F)ccc1F)C(C)C 479410083 QPIIPPJVIXAFRE-INIZCTEOSA-N 283.362 3.844 30 20 CHED C#C[C@H](NC(=O)c1ccccc1SCC)C(C)(C)C 807884678 UAOKUJVRYDHRPQ-AWEZNQCLSA-N 275.417 3.576 30 20 CHED C#C[C@H](NCc1c(C)nn(-c2ccccc2)c1C)C(C)(C)C 809781491 SSFKHCBTBBGTAI-SFHVURJKSA-N 295.430 3.627 30 20 CHED Cc1cccc(C2=CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 293681970 BBMRVZQDXBYWSG-YJBOKZPZSA-N 266.388 3.776 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 294553698 WBNAKLKKCVHSLV-UKRRQHHQSA-N 256.349 3.517 30 20 CHED Cc1cccc(F)c1NN=Cc1c[nH]c(C(F)(F)F)c1 807985090 AQYVPYORNDWJFT-UHFFFAOYSA-N 285.244 3.927 30 20 CHED C=C1CCN(c2nnc(-c3ccccc3)n2CC(C)C)CC1 559083607 MMLRXDBDAVBFOY-UHFFFAOYSA-N 296.418 3.758 30 20 CHED C=CCOc1ccc(CNC(=O)c2cc(F)ccc2C)cc1 552241184 DVDOYXQZTISZHF-UHFFFAOYSA-N 299.345 3.629 30 20 CHED CCCc1cc(C(=O)OCCCSCC#N)sc1C 805332531 YDOBNMSUSVOBJQ-UHFFFAOYSA-N 297.445 3.813 30 20 CHED C=CCC[C@@H](O)CN(C)[C@@H](CC)Cc1ccc(C)cc1 472572264 AHZASYNWHZWMHD-ZWKOTPCHSA-N 275.436 3.575 30 20 CHED C#Cc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)cc1 809573381 JLOCHZRORBMCME-AWEZNQCLSA-N 265.356 3.567 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1cccc(-c2ccccc2)c1 561677728 YRLYZZMADNDQNS-SFHVURJKSA-N 281.355 3.619 30 20 CHED C=CCOCCSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 292541018 BENBHOOEEJAOIH-TZMCWYRMSA-N 295.452 3.632 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1nccnc1C1CCC1 807993104 UFRZQRXATSGIOQ-ZDUSSCGKSA-N 272.396 3.968 30 20 CHED CC[C@@H](NC(=O)N1CCC(CCC#N)CC1)c1ccccc1 564898708 CQOYGTMCPFGGLM-QGZVFWFLSA-N 299.418 3.863 30 20 CHED C[C@H](C#N)OCCN1CCCCC[C@@H]1c1ccccc1 801913044 MZBCWBQYNLOUMZ-NVXWUHKLSA-N 272.392 3.532 30 20 CHED CCc1c(C(=O)/C=C\c2cn(C)cn2)oc2ccc(C)cc12 800792316 APRDFKOQLALRIN-SREVYHEPSA-N 294.354 3.933 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCCSC1 807723667 OKJBPNKDPBZVJA-AWEZNQCLSA-N 271.470 3.996 30 20 CHED CC(C)[C@@H]1N(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1(C)C 292753635 WZROWYLCJAWKSX-CJNGLKHVSA-N 299.418 3.695 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2cccc(Cl)c2)no1 561858133 RPAZVEFEGLKMPR-UHFFFAOYSA-N 285.690 3.830 30 20 CHED CC[C@H](N[C@@H](C)CN1CCC[C@@H](C)C1)c1ccc(C#N)cc1 564162623 ADPUQHITRZQJKD-GJYPPUQNSA-N 299.462 3.719 30 20 CHED C1CCC2(C1)CCC(=NN[C@H]1CCSC1)CC2 811650307 UXHQWABYQUXTIJ-ZDUSSCGKSA-N 252.427 3.572 30 20 CHED C=C[C@@H](CC(=O)N1CCC(C2CC2)CC1)c1ccccc1 646761797 FPVUMFSOURMTJB-HNNXBMFYSA-N 283.415 3.995 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccccc1N1CCCC1 644586881 INSQNIFCVGBYTO-UHFFFAOYSA-N 286.419 3.505 30 20 CHED CC(C)(C)C1CCN(N=Cc2nc3c(s2)CCC3)CC1 814913671 SPJIDQFDWYZFAG-UHFFFAOYSA-N 291.464 3.724 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCc1c(F)cccc1F)CC2 564431993 MZNQEVCPBGGNOM-SFHVURJKSA-N 298.336 3.656 30 20 CHED Cc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)c(C)c1 811695508 HWETYDDOZJHUPY-MFOYZWKCSA-N 273.335 3.998 30 20 CHED FC(F)(F)c1cnc2c(c1)C(=NOCCC1CC1)CCC2 814246221 WNTUTSGSGWCOQN-UHFFFAOYSA-N 298.308 3.958 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1cc(C)ccc1C 814753609 RONNTDFYPQXZDL-UHFFFAOYSA-N 274.364 3.736 30 20 CHED Fc1ccc(NN=Cc2cccc3cc[nH]c23)cc1 814693208 BIPLZFSHNMFAEH-UHFFFAOYSA-N 253.280 3.753 30 20 CHED C=CCC(F)(F)C(=O)NCc1cc2ccccc2s1 815110954 OYIUNZSMKMKUHT-UHFFFAOYSA-N 281.327 3.729 30 20 CHED OC1(c2cccc(F)c2)CCC(=NOC/C=C/Cl)CC1 811668164 LHBOSOHCEKMTDM-NLGPCNJOSA-N 297.757 3.712 30 20 CHED C=CCCCCNC[C@H](O)c1cccc2ccccc12 819237544 IXXCJVOGKZCCNQ-SFHVURJKSA-N 269.388 3.819 30 20 CHED CCC#C[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 810128047 JIMWUXCJLVNYOU-HOTGVXAUSA-N 298.430 3.656 30 20 CHED CC(=NOCCC1CC1)c1ccc(C#N)cc1Cl 814246612 AJYMXZKMTXDCHU-UHFFFAOYSA-N 262.740 3.752 30 20 CHED C#Cc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 817841823 YQFTZMFBHODHQD-UHFFFAOYSA-N 299.757 3.647 30 20 CHED CCCCCCCCC(=O)N1C[C@H](CO)c2ccccc21 817782772 NVMUVSIYGXALOW-OAHLLOKOSA-N 289.419 3.860 30 20 CHED N#CC1(CNC(=O)N2CCCCC[C@@H]2c2ccccc2)CC1 570757176 QCRZNJNSULKNLW-MRXNPFEDSA-N 297.402 3.617 30 20 CHED CCn1c(C)cc(C=NNc2ncccc2Cl)c1C 728226373 NRUJKEYSSOHWSZ-UHFFFAOYSA-N 276.771 3.619 30 20 CHED C=CCC1(C(=O)Oc2ccc(-c3nnco3)cc2)CCCC1 824007469 VUUMNHLRBWRXTP-UHFFFAOYSA-N 298.342 3.779 30 20 CHED C=CCOc1cccc(NC(=O)C(C)=C2CCC2)c1 825400309 ONDJFIXXWIXRAE-UHFFFAOYSA-N 257.333 3.690 30 20 CHED CC(C)c1ccccc1NC(=S)NN=Cc1ccccn1 727061923 QLQBPOBQCLKSET-UHFFFAOYSA-N 298.415 3.526 30 20 CHED CCCCCCC[C@@H](C)NCc1nc(C2CC2)n[nH]1 824602971 JWCXPSZVTLWZDG-GFCCVEGCSA-N 264.417 3.521 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C/C=C\C 492803880 SRNXEMDNAYTYQH-NMMTYZSQSA-N 287.407 3.501 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1ccccc1OC(F)F 588523792 XHLPOJMLLQIMKS-ALCCZGGFSA-N 293.244 3.718 30 20 CHED C[C@H](S[C@@H](C#N)c1ccccc1)C(=O)OC(C)(C)C 581677934 UERVPSKFYGRWJM-AAEUAGOBSA-N 277.389 3.715 30 20 CHED N#CC1(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 903106430 QFDVQIPFQYNIHP-GFCCVEGCSA-N 281.186 3.874 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1c1nc(Cl)c(C#N)s1 829046245 ALZBYRRSWLXFPL-ONGXEEELSA-N 283.828 3.785 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1sccc1C 733744603 NMNPXPMWSKLVAF-UHFFFAOYSA-N 274.345 3.591 30 20 CHED N#CCc1ccc(Oc2ccc(C(=O)OCCF)cc2)cc1 739325648 WAKITZJVUUWGDA-UHFFFAOYSA-N 299.301 3.671 30 20 CHED COc1cccc(NN=Cc2ccc(C)c(F)c2)c1 731486401 KRGKNDGMJAJODB-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(Cl)no2)CCCC1(C)C 822471914 CHKDHMVLAWPWIU-NSHDSACASA-N 282.771 3.535 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(CCCC)cc1 736954499 URQBCHCCNSHUHS-UHFFFAOYSA-N 266.772 3.903 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1ccc(C3CCC3)cc1)C2=O 834438600 WDJIPAXWRACSNS-WJDWOHSUSA-N 292.382 3.900 30 20 CHED C=CCCCOC(=O)c1cn(CC(C)C)nc1C(F)F 835197433 KVAAHSOOYCDHEQ-UHFFFAOYSA-N 286.322 3.600 30 20 CHED N#Cc1ccc(NC(=S)N[C@@H]2CC=CCC2)cc1Cl 735986161 BJILXPJPDDEYMY-LLVKDONJSA-N 291.807 3.607 30 20 CHED N#Cc1ncccc1SCc1csc(C2CC2)n1 581676538 AERCCMDREJOBRV-UHFFFAOYSA-N 273.386 3.579 30 20 CHED C=CCON=C1CCC(N(C)Cc2ccccc2)CC1 835013260 NZKQRJBLLOCLNZ-UHFFFAOYSA-N 272.392 3.620 30 20 CHED C=CC[C@H](C)N[C@H](C)c1nc(Br)cs1 834654607 PZKXPKZEEFLJKO-JGVFFNPUSA-N 275.215 3.521 30 20 CHED C=CCN(Cc1ccc(C(C)C)nc1C)[C@@H](C)COC 661239312 FJGQQZVSYZHFFM-AWEZNQCLSA-N 276.424 3.536 30 20 CHED C=CCCCOC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 838143948 LYRSENVRHTVMDX-GFCCVEGCSA-N 289.158 3.536 30 20 CHED C=CCC1(CN[C@@H](C)c2cc(C)nn2C)CCCC1 834898843 HGORGOIMGFSCOS-AWEZNQCLSA-N 261.413 3.516 30 20 CHED C=CCCCOC(=O)Cc1ccc(OCC(C)C)cc1 735532201 AIRQJKYCVBZBAK-UHFFFAOYSA-N 276.376 3.773 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1NCc1ccccc1 677910648 FRBBJZMQEATOKY-CQSZACIVSA-N 280.371 3.603 30 20 CHED FC(F)(F)c1ccc(C#CCN2[C@H]3C=CC[C@H]2CC3)cc1 676909226 XNAQKUAAEFMDGX-HOTGVXAUSA-N 291.316 3.850 30 20 CHED Cc1ccncc1[C@H](C)NCC#Cc1cccc(Cl)c1 679940517 BASZKYHTTYUBFJ-AWEZNQCLSA-N 284.790 3.746 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2cscc2Cl)cc1 833310024 LMIXXZOHRBPEGS-WAYWQWQTSA-N 292.743 3.996 30 20 CHED C[C@H]1C[C@@H](NCC2(C#N)CCC2)c2ccsc2S1 903032107 PZIWWMWFSRNIFB-CMPLNLGQSA-N 278.446 3.957 30 20 CHED COC(=O)c1ccc(NN=C2CCC(C)(C)C2)cc1F 835017894 CIIZQSKLWMYTHC-UHFFFAOYSA-N 278.327 3.590 30 20 CHED CC(C)(C(=O)[C@H](C#N)c1cnc2ccccc2n1)C1CCC1 835348238 LWRNTVDTIOBYOH-CYBMUJFWSA-N 293.370 3.632 30 20 CHED COc1cc2ccccc2cc1C=NN[C@@H](C)C(F)(F)F 834999239 SZKNOEJZGPSSSB-JTQLQIEISA-N 296.292 3.723 30 20 CHED C#CCCCCCCOC(=O)/C=C\c1ccc(C)nc1 835714720 PIXLXAVNLVKWRO-QXMHVHEDSA-N 271.360 3.530 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(C)nnc1C)c1ccccc1 678087779 CJIHEUKKRPLHSM-QGZVFWFLSA-N 295.386 3.531 30 20 CHED N#CC1(CSc2ncnc3ccsc23)CCCC1 916478215 HVFORDFPMFBPAO-UHFFFAOYSA-N 275.402 3.867 30 20 CHED COC(=O)c1cc(NN=C2CCCC23CCC3)ccc1F 835012290 RFCGHPXVGWSKHA-UHFFFAOYSA-N 290.338 3.734 30 20 CHED CCC[C@H](C=NNc1ccc(C(F)(F)F)cc1)OC 834965120 KGIMTOZDNNESGQ-GFCCVEGCSA-N 274.286 3.918 30 20 CHED C=CCN(C(=O)Nc1ccc2c(c1)OC(C)(C)O2)C(C)C 916709387 PQUPGCYXUAYPHH-UHFFFAOYSA-N 290.363 3.622 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccccc1C 748905559 BQNDIHMFIYKZQO-UHFFFAOYSA-N 265.312 3.532 30 20 CHED N#Cc1ccnc(NC(=O)CCC2CCCCCC2)c1 594010362 KINBWQSCLHFRHH-UHFFFAOYSA-N 271.364 3.642 30 20 CHED N#CC1(COC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 835415010 VEUOAYGBNBGWOZ-HZPDHXFCSA-N 283.371 3.807 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(C2CC2)[C@H](C)C#N)cc1 598128481 MBSKVKKUFONTPU-UONOGXRCSA-N 284.403 3.646 30 20 CHED C=C(CNC(=O)N(C1CCCC1)C1CC1)c1ccccc1 673195839 PLNGSLOWGLJPBO-UHFFFAOYSA-N 284.403 3.816 30 20 CHED CCN(C(=O)c1cc2cccc(C)c2s1)[C@H](C)C#N 598362794 JEJSZNXJJIQDIA-LLVKDONJSA-N 272.373 3.584 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](CC)c1ccc(C)cc1 743463335 VMWORKISWGQCPQ-ZBFHGGJFSA-N 276.376 3.971 30 20 CHED Cc1ccc(/C=C2/Oc3ccccc3C2=O)cc1F 742438123 YWAPETAKJAEUGH-OQLLNIDSSA-N 254.260 3.750 30 20 CHED COc1ccc(-c2ccc(CC(C)(C)O)cc2)c(C#N)c1 596639742 URPHCROWXJRMMF-UHFFFAOYSA-N 281.355 3.547 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1OC 590989055 GPDMOXIMBFGKDS-KGLIPLIRSA-N 286.375 3.722 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(OC)o1 847054078 VTUQTGUCCUFHKN-UHFFFAOYSA-N 265.353 3.545 30 20 CHED CC[C@@H](C#N)C(=O)N1CC=C(c2cccc3ccccc23)C1 593590652 KURKYDPSCZQAQB-AWEZNQCLSA-N 290.366 3.615 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)[C@@H]1c1ccncc1 596595377 YRLVBHHIDSIZEE-GOSISDBHSA-N 291.398 3.731 30 20 CHED COc1cccc(F)c1C(C)=NNc1c(F)cccc1F 741808707 APOQYNJPDREDGC-UHFFFAOYSA-N 294.276 3.949 30 20 CHED COc1cccc2cc(C(=O)Oc3ccc(C#N)cc3)oc12 915127114 KOVQNWFVRLFIBW-UHFFFAOYSA-N 293.278 3.532 30 20 CHED CO[C@H]1CCC[C@H](C(=O)OCCC2(C#N)CCCCC2)C1 840577278 LXRSHMCZHXWAMT-GJZGRUSLSA-N 293.407 3.599 30 20 CHED COc1cccc(C(C)(C)C/N=C/c2cccc(O)c2O)c1 749581799 GSWXPYAQSFPJLK-YBFXNURJSA-N 299.370 3.503 30 20 CHED CCC(=NNc1ccccc1CC)c1c(C)nn(C)c1C 741846619 BWNLLTNWNFEOGB-UHFFFAOYSA-N 284.407 3.826 30 20 CHED CCCC[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)C(C)C 598660348 TXYYVRKYAYZJQY-QGZVFWFLSA-N 286.419 3.979 30 20 CHED C=CCCNC(=S)Nc1ccc(SC(F)F)cc1 849277895 MQVZEPHUUSQATI-UHFFFAOYSA-N 288.388 3.864 30 20 CHED CCCCCCCOC(=O)c1cnn(C(C)(C)C)c1 918494184 PDPMWKUSAIWCBZ-UHFFFAOYSA-N 266.385 3.765 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1cn(C(C)(C)C)nn1)C2=O 841487350 SHHFXCNVKRIGTO-RIYZIHGNSA-N 299.399 3.671 30 20 CHED C=C(Cl)CNc1ccccc1OC[C@H]1CCCCO1 849313822 OKXWECRQUOYGRJ-CYBMUJFWSA-N 281.783 3.799 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1CCCc2cc(C#N)ccc21 596278289 NSPFOXRQDYOEGI-KRWDZBQOSA-N 288.354 3.623 30 20 CHED Cc1ccc(/C=C\C(=O)OCCC2(C#N)CCCCC2)cn1 840438500 XKFRNGHNFUBGES-FPLPWBNLSA-N 298.386 3.811 30 20 CHED C[C@H](C/N=C\c1ccccc1O)Cc1cccs1 741465276 TVLAAKBFKKCWBO-IEMQHYRPSA-N 259.374 3.751 30 20 CHED CCCCCC[C@H](C)NN=Cc1cc(C(=O)OC)c(C)o1 743451045 YKRHVJAIGFIXMB-LBPRGKRZSA-N 294.395 3.657 30 20 CHED COCCN(CCCCC1(C#N)CCC1)Cc1ccco1 929257804 QOAJUWJTKKBVLV-UHFFFAOYSA-N 290.407 3.592 30 20 CHED CC/C(=C\C(=O)N[C@@H](C#N)C(C)C)c1cccc(Cl)c1 744508623 CWALFARKGVQQTH-RZXPCSSPSA-N 290.794 3.798 30 20 CHED CC[C@H](C)C[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O 743041692 BZWAIPJRHFAIFJ-BVLLQVSASA-N 264.325 3.544 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cc2c(cc1Cl)OCCO2 925963597 RCNYLUNVDRJBJN-JTQLQIEISA-N 294.782 3.851 30 20 CHED CCc1nc([C@H](C)N[C@@H](C)CC(C)(C)C#N)cs1 925031641 BOFGXYAPZIUQBP-QWRGUYRKSA-N 265.426 3.684 30 20 CHED CC(C)(C/N=C/c1cc(Cl)ccc1O)OCC1CC1 840711723 RZYIAZSWLRWJKO-CAOOACKPSA-N 281.783 3.670 30 20 CHED CC(=NOC[C@@H]1C[C@H]2CC[C@H]1O2)c1cc2ccccc2o1 842016614 AEJKMQMJQJVQMO-SQWLQELKSA-N 285.343 3.741 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1CCC1CCCC1 758732165 WAGVNQLFWDNJJS-INIZCTEOSA-N 261.409 3.751 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)OCC1CCCCC1)CC2 859081455 OUIYVXJHLDLANK-UHFFFAOYSA-N 284.359 3.638 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 751101068 BMTCGTRJDOJSLT-OTYXRUKQSA-N 296.773 3.501 30 20 CHED COCC(CC(C)(C)C)=NNc1ccc(Cl)cn1 853436165 VXJANNCPKKLBFB-UHFFFAOYSA-N 269.776 3.586 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc([C@@H]2C[C@H]2C)o1 924716809 QTZZPICJOXAEAR-YRGRVCCFSA-N 260.381 3.821 30 20 CHED C#CCCCCCOC(=O)CC1(C#N)CCCCC1 850929202 LPJPOPYBOKJYTQ-UHFFFAOYSA-N 261.365 3.587 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 855545049 IXMXEKNRASNJLR-OAHLLOKOSA-N 273.376 3.597 30 20 CHED Cn1nc(C(F)(F)F)cc1/C=C\C(=O)C1CCCCC1 853002494 NIILYDRKNNDINX-FPLPWBNLSA-N 286.297 3.602 30 20 CHED C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(CC#N)cc1 921002616 RKDJCNWDAWDTET-ZDUSSCGKSA-N 296.345 3.709 30 20 CHED CC(C)CC1CCN(C(=O)c2ccc(CC#N)cc2)CC1 759387034 MUGIHZUOCGWFJX-UHFFFAOYSA-N 284.403 3.651 30 20 CHED C=C[C@H](CC)CC(=O)NCc1nc2ccccc2s1 929727616 KLSYJUHVNSQQQT-LLVKDONJSA-N 274.389 3.515 30 20 CHED C=C[C@H](CC(=O)OCCOCC(C)C)c1ccccc1 759726898 XXNVPNULCPVBFG-OAHLLOKOSA-N 276.376 3.562 30 20 CHED CC#CCCCC(=O)N[C@H](CC)c1cc(F)ccc1OC 928779937 SALHNMWKBZHKIC-OAHLLOKOSA-N 291.366 3.595 30 20 CHED CCn1cc(C(=O)/C=C/c2cccc(C(C)C)c2)cn1 853004081 FYSMHSJKFAMUOE-CMDGGOBGSA-N 268.360 3.923 30 20 CHED N#Cc1ccc(COC(=O)Cc2cc3ccccc3o2)cc1 920656875 AEOSMPHWWXJLOU-UHFFFAOYSA-N 291.306 3.590 30 20 CHED CC(C)(C)c1cccc(OC(=O)CSCC#N)c1Cl 851274918 KQHJLFBHOBXUDE-UHFFFAOYSA-N 297.807 3.800 30 20 CHED CC(C)C#CC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 854430522 IGVVLVYMPSCHGQ-RDJZCZTQSA-N 269.388 3.646 30 20 CHED CCC(=O)c1cc(C(=O)Nc2ccccc2C#N)ccc1F 757920363 DHFOZMSNZZVRGB-UHFFFAOYSA-N 296.301 3.542 30 20 CHED O=C(O)c1ccc(NN=C[C@@H]2C[C@@H]2c2ccccc2)cc1 755455154 LNOGVYOSURHEBR-GOEBONIOSA-N 280.327 3.586 30 20 CHED C#CC[C@H](NC(=O)NC[C@@H](C)C(C)(C)C)c1ccccc1 757030714 NJRDHULTQBPBFP-ZBFHGGJFSA-N 286.419 3.732 30 20 CHED COc1ccc(NN=Cc2coc3ccccc23)cc1 750921420 JGMPDMMIQHVJBK-UHFFFAOYSA-N 266.300 3.887 30 20 CHED CC(C)(C(=O)OCc1cc(F)ccc1C#N)C1CCCC1 757837835 QCIZMWMPNRZCRM-UHFFFAOYSA-N 289.350 3.957 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)CCCc2ccsc2)n1 857639442 OQNBSJBWFAOTEE-UHFFFAOYSA-N 299.399 3.593 30 20 CHED Cc1c(Cl)c(CN2CCC[C@H](C#N)C2)nc2ccccc12 932162410 PUGAYJCIASLPJL-CYBMUJFWSA-N 299.805 3.932 30 20 CHED Cc1cccc(Cl)c1OC(=O)c1ccc(CC#N)cc1 759878575 PQXMNXFLPURGCX-UHFFFAOYSA-N 285.730 3.934 30 20 CHED C#C[C@H](CC)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 754680264 PNZGPQSNIONBLZ-SECBINFHSA-N 295.169 3.616 30 20 CHED C=C(Cl)CN[C@H](c1cccnc1)c1ccc(F)cc1F 753679986 QHJRZUNYHDXGMA-OAHLLOKOSA-N 294.732 3.791 30 20 CHED Cc1cccc(NC(=S)N2CCc3ccc(C#N)cc32)c1 756853734 JUDXZZDVBNJQKN-UHFFFAOYSA-N 293.395 3.626 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@](C)(C#N)C1 935354668 YCCHWOBNONKMFI-QGZVFWFLSA-N 288.391 3.651 30 20 CHED CC(C)CC[C@H]1CCCC1=NNCC(F)(F)F 769807878 CEHGSYALLQWTKA-SNVBAGLBSA-N 250.308 3.731 30 20 CHED CCC[C@H](C(=O)OC[C@H](C)C#N)c1cccc(Cl)c1 860616654 XLNSBEFJQBRZCQ-RISCZKNCSA-N 279.767 3.927 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(OC)c(OC)c1 766771692 IQBZNWHRXUZPHQ-ALCCZGGFSA-N 297.354 3.557 30 20 CHED N#CCC[C@@H](NC(=O)[C@H](F)c1ccccc1)c1ccccc1 769453300 NDNTUVYTORPBPS-IAGOWNOFSA-N 296.345 3.858 30 20 CHED C#C[C@H](C)N(C)C(=O)CCCc1ccc(Cl)c(Cl)c1 767231537 CQHJDHIRPUKOFF-NSHDSACASA-N 298.213 3.796 30 20 CHED CCCCCCCNC(=O)c1cc(COC)cs1 862355202 LWDXZBBCUKUEBN-UHFFFAOYSA-N 269.410 3.595 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C 767666839 WFIHUOIORMBYGD-CYBMUJFWSA-N 289.331 3.701 30 20 CHED N#Cc1csc(C(=O)OCCC(Cl)(Cl)Cl)c1 767564420 GOIVBMYHTDLNHV-UHFFFAOYSA-N 298.578 3.537 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1cccc(C#N)c1 764719354 WTZCWINEVLSHMQ-UHFFFAOYSA-N 283.762 3.725 30 20 CHED CC(C)C[C@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 768317074 DMAKFPFLHMWVPN-NVXWUHKLSA-N 286.419 3.988 30 20 CHED CCC(=O)c1c(Cl)cccc1NC[C@@H](C)C#N 872469148 LZZRMTDVSXQMIK-VIFPVBQESA-N 250.729 3.504 30 20 CHED CC(=O)[C@](C#N)(CCN1CCC[C@@H]1C(C)C)c1ccccc1 877996395 RMWLVERFVIEVDP-RTBURBONSA-N 298.430 3.547 30 20 CHED CCCC[C@@H](C)c1nnc(-c2cccc(C#N)c2)o1 1118138840 MDXGNVCMWRWMMQ-LLVKDONJSA-N 255.321 3.902 30 20 CHED N#CCCCC(=O)Nc1cc(Cl)cc(Cl)c1F 876460902 IQSOHFKWCWOCOA-UHFFFAOYSA-N 275.110 3.765 30 20 CHED Clc1ccc2c(c1)CCC2=NNc1ccc2[nH]ncc2c1 779820658 LRGCIZGGMCBHBL-UHFFFAOYSA-N 296.761 3.979 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CC[C@@H](C)C2)C(C)C)c1 776318681 AEKSFMJSXORDOS-GDBMZVCRSA-N 269.388 3.846 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1ccc(F)cn1 777447821 JYORDCUWEJKVAS-GOSISDBHSA-N 299.393 3.802 30 20 CHED Cc1ccc(-c2nnc(COc3ccc(C#N)cc3)o2)s1 1117187333 RIHPDXWVGCHWIO-UHFFFAOYSA-N 297.339 3.557 30 20 CHED Cc1ccc(-c2nc(C=NOC3CCCC3)co2)cc1 774597726 WXNFDEJXHJMWJI-UHFFFAOYSA-N 270.332 3.943 30 20 CHED CC(C)(C#N)CCOC(=O)c1c(F)cccc1Cl 776362063 XVZJXGQUHVEEDD-UHFFFAOYSA-N 269.703 3.576 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H](C)c2ccncc2CC)c1 773147401 FRQZVRAKJPBQOK-DZUMZMOTSA-N 298.386 3.928 30 20 CHED CC[C@H](c1ccccc1)c1nnc(CC(C)(C)C#N)o1 1118375564 RFGDYMBOWWWXJZ-CYBMUJFWSA-N 269.348 3.704 30 20 CHED CCC(C)(C)CC(=O)O[C@H](C#N)C1CCCCC1 776389705 ABXFVIWXUZYCKU-CYBMUJFWSA-N 251.370 3.828 30 20 CHED CCCCCCCC(=O)Nc1nc(C(C)(C)OC)ns1 870627106 ITRPWLRNSWYJIS-UHFFFAOYSA-N 299.440 3.719 30 20 CHED C=CC1CCN(Cc2coc(-c3ccccc3OC)n2)CC1 878095017 ZIYKDGNEJRQHFP-UHFFFAOYSA-N 298.386 3.748 30 20 CHED C[C@@H]1CCc2nc(C=NNc3ccc(C#N)cc3)sc2C1 1117742009 ISUAJDRGJIIPDV-LLVKDONJSA-N 296.399 3.586 30 20 CHED C#CCCCN[C@H](CCCC)c1ccc(OC)cc1 775356635 ZNIHBVIRCHTBMY-QGZVFWFLSA-N 259.393 3.930 30 20 CHED CC(=NNc1cccc(F)c1)c1cccc(F)c1F 776260181 ZTIJJZINWLWVJR-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CCCCCCCCC(=O)NCC#Cc1ccccc1 886960529 WAIWUJCSLITTCV-UHFFFAOYSA-N 271.404 3.905 30 20 CHED C=CCOc1ccc(OC(=O)CC[C@H](C)SC)cc1 773404099 AXDCLZKTIGEXCO-LBPRGKRZSA-N 280.389 3.689 30 20 CHED C[C@@H]1CCCCN1c1nccc(Oc2cccc(C#N)c2)n1 881745115 XWVYERXVXUVNPE-CYBMUJFWSA-N 294.358 3.519 30 20 CHED C[C@H]1CCC[C@H](C=NNc2cc(Cl)ccn2)C1 777906651 ZCEQZMJWTKGNJS-QWRGUYRKSA-N 251.761 3.959 30 20 CHED Cn1cc(C=NNc2cccc(F)c2)c(-c2ccccc2)n1 771564494 UEYCXYYYXZZQQM-UHFFFAOYSA-N 294.333 3.672 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)C1=CCCCC1 782452433 OOQJYYXIQVGSEQ-UHFFFAOYSA-N 275.735 3.755 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(Cl)cs2)C1 787269743 FGSFEQYAGVOFGM-LBPRGKRZSA-N 254.786 3.527 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)c1ccccc1F 780039973 QSFHBPATBWZYIT-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1ccc(COC(=O)c2cc(C#N)ccc2F)c(C)c1 1128204786 PJRPMQCCUWNRSC-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CC(C)(C)OC)c1cccs1 1123009913 NDOUHGSCNRYHDY-BXUZGUMPSA-N 295.404 3.697 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2ccc([N+](=O)[O-])cn2)C1 783826944 IYUHEUFIWDEKEJ-RYUDHWBXSA-N 276.340 3.604 30 20 CHED N#Cc1cccc2c1CCN2CCSc1ccccc1 1473570115 PBOYBJJKMCGEKC-UHFFFAOYSA-N 280.396 3.713 30 20 CHED C=C(CNCc1ccc(C)cc1F)c1ccccc1 1473982512 RGPNDUONDXDCMW-UHFFFAOYSA-N 255.336 3.937 30 20 CHED CC(C)n1cc(Cl)c(NC(=O)C2(C#N)CCCCC2)n1 894884811 XAGZELSDPXBTSW-UHFFFAOYSA-N 294.786 3.530 30 20 CHED C#CCCCCCC(=O)Nc1cccc(-c2ncc[nH]2)c1 780929286 NFEBXKJKKZORFF-UHFFFAOYSA-N 281.359 3.599 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cn(CC)nc2C)cc1 899340848 NKHHWCJYPMNGJA-FLIBITNWSA-N 284.359 3.506 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1 782193714 HIQNZAPMZDNOTL-SREVYHEPSA-N 287.746 3.778 30 20 CHED COCCC(=NNc1ccc(Cl)c(OC)c1)C(C)C 788471905 JQNKNSCNWUBQSP-UHFFFAOYSA-N 284.787 3.809 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1ccc(C#N)cc1F 785742609 TWJBVNVMKHPWOE-NSHDSACASA-N 295.379 3.662 30 20 CHED COc1cccc(NN=Cc2cc3ccccc3[nH]2)c1 788423347 YMKNJZNBLPOYFN-UHFFFAOYSA-N 265.316 3.623 30 20 CHED C=C1CN(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)C1 898699022 XIQHVSQJEVOAHU-IZZDOVSWSA-N 281.277 3.507 30 20 CHED C[C@H]1CC(C)(C)CCC1=NN[C@@H]1CCOC(C)(C)C1 780251518 VARMUACXHRXADB-QWHCGFSZSA-N 266.429 3.736 30 20 CHED COc1cc(NN=Cc2occc2C)ccc1Cl 788468295 RJSLMPNEPYKRIJ-UHFFFAOYSA-N 264.712 3.696 30 20 CHED CC[C@H](C)NN=Cc1c(Cl)cccc1N1CCCC1 790181094 CGOULHAUGXRMMA-LBPRGKRZSA-N 279.815 3.662 30 20 CHED C[C@H](CC(=O)N1CCCc2nc(C#N)ccc21)CC(C)(C)C 892408077 NCMTUDRHQAXPAN-CYBMUJFWSA-N 299.418 3.695 30 20 CHED Oc1nc2ccccc2cc1/C=N\C[C@@H]1CCC(F)(F)C1 797398946 SFYJOSUVOPUFKT-XEQXHXIFSA-N 290.313 3.795 30 20 CHED Cc1ccc([C@H](O)[C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 797061015 MRSWAPOTWKNHAF-YZVOILCLSA-N 294.398 3.639 30 20 CHED C=C1CC(c2noc(-c3ccc4oc(C)nc4c3)n2)C1 896877673 OZPIBTLTVFZRGU-UHFFFAOYSA-N 267.288 3.620 30 20 CHED FCC[C@H]1CCCC1=NNc1cnc2ccccc2n1 794901718 HGIQERYSPYPQPX-LLVKDONJSA-N 272.327 3.557 30 20 CHED Cc1cc(OC(C)C)ccc1N[C@H]1CC[C@@H](C#N)C1 799721046 QVHYPCYUSYJWNA-KGLIPLIRSA-N 258.365 3.886 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@H](OC2CCC2)C1 594594731 QRVJCGPHHAXHBH-HNNXBMFYSA-N 290.794 3.750 30 20 CHED CC(C)c1cccc(CN2CCC(C)(C#N)CC2)c1 595429623 SCFUBELWMSSJDL-UHFFFAOYSA-N 256.393 3.936 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc3cccc(C)n23)oc1C 799897664 RUJDVWSXTPBEPK-BQYQJAHWSA-N 280.327 3.749 30 20 CHED O=C(/C=C\c1csc2ccccc12)c1ccnc(O)c1 791433147 QOIBUAUMNCBKHH-WAYWQWQTSA-N 281.336 3.898 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc3occc3c2)cc1 794857964 ZUXZBHBNVDTTTD-UHFFFAOYSA-N 280.283 3.577 30 20 CHED COc1ccccc1CON=Cc1c[nH]c2ccc(F)cc12 799117241 HHEMKHJFILGQRY-UHFFFAOYSA-N 298.317 3.866 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1COc1ccccc1 1142002635 SEQBOWWWIZIMFE-AWEZNQCLSA-N 294.354 3.754 30 20 CHED C=C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)OC 799874318 GUCKGCCDMDERJU-LBPRGKRZSA-N 291.397 3.630 30 20 CHED CC(C)[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@@H]1C(C)C 1307116080 DXCNJBIBJRCKSF-GXTWGEPZSA-N 277.799 3.723 30 20 CHED CC(C)(CCNc1ncc(C#N)cc1F)c1ccccc1 1162237847 BTRIMECNFCAHDU-UHFFFAOYSA-N 283.350 3.872 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2sccc2C#N)CC1 1310957301 XTXVJGIESVCPJL-JQWIXIFHSA-N 277.393 3.710 30 20 CHED N#Cc1cc(C(=O)OCC2CCC(F)(F)CC2)cs1 1324670379 WWILSVRWLWTJGZ-UHFFFAOYSA-N 285.315 3.602 30 20 CHED CC(C)CC(C)(C)c1nnc(COc2ccc(C#N)cc2)o1 1323874759 XSPZPTGCIJIQEK-UHFFFAOYSA-N 299.374 3.844 30 20 CHED CC(C)(C)ON=Cc1cc(O)cc(C(F)(F)F)c1 1327587193 ITNWPDGINJSEJD-UHFFFAOYSA-N 261.243 3.560 30 20 CHED C=C[C@@H](COC)NC(=O)[C@@H](CC1CCCCC1)C(C)C 1320442204 LJYSDDRFRAFHTE-HOTGVXAUSA-N 281.440 3.546 30 20 CHED CCCCCCCOC(=O)c1ncc(Cl)s1 1321550530 KFGLUMOXNUMNFM-UHFFFAOYSA-N 261.774 3.924 30 20 CHED C[C@H](c1nnc(COc2ccccc2C#N)o1)C1CCCC1 1322139259 PRPUEHQHAXHNFI-LBPRGKRZSA-N 297.358 3.814 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCCC[C@@H]1N(C)C 1327544385 RWIZKTCUERJMPL-CVEARBPZSA-N 282.472 3.726 30 20 CHED Cc1cc(C)cc(CC(=O)OCc2ccc(C#N)s2)c1 1327708397 JUPTZZJYEHXVOM-UHFFFAOYSA-N 285.368 3.523 30 20 CHED Cc1nc(C#N)cc(N[C@@H](c2ccccc2C)C(C)C)n1 1185331049 JCEISFUQBDLVLS-QGZVFWFLSA-N 280.375 3.774 30 20 CHED N#CC1(N(C(=O)C2C[C@H]3CCC[C@H](C2)C3)C2CC2)CCC1 1257268039 KEDXXTKUTQMRRG-KBPBESRZSA-N 286.419 3.640 30 20 CHED N#Cc1ncccc1S[C@H](C#N)CCc1ccccc1 1189338049 KOFQNFNRQUTMGG-AWEZNQCLSA-N 279.368 3.570 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2cccc(OCC#N)c2)C1(C)C 1262364754 HFJUOBCXSQSMKR-CVEARBPZSA-N 288.391 3.593 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)[C@@H](C#N)c1ccncn1 1345579260 JGCWTAGQKIOYGJ-HNNXBMFYSA-N 293.370 3.555 30 20 CHED C[C@H](CC(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 108680851 GGHGXAJAGVAMOB-GFCCVEGCSA-N 258.365 3.763 30 20 CHED N#Cc1cc(C(=O)N2CCC=C(c3ccccc3)C2)cs1 1272054164 ANEPEJWMLLUCRD-UHFFFAOYSA-N 294.379 3.549 30 20 CHED C=C(CC)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 1518787543 GFGDOBXRJFWEMG-NSHDSACASA-N 274.389 3.782 30 20 CHED C=C(CC)C(=O)N(Cc1ccncc1)Cc1cccs1 1520803900 OSPHUIKBJXDQNA-UHFFFAOYSA-N 286.400 3.638 30 20 CHED C[C@H](COCc1ccccc1)CSc1cccnc1C#N 1473030984 CQTXUFUPTXXJSR-CQSZACIVSA-N 298.411 3.898 30 20 CHED C=C(CNc1nc[nH]c2ncc(CC)c1-2)c1ccccc1 1472800525 NFVOJGRZVWYMET-UHFFFAOYSA-N 278.359 3.597 30 20 CHED CC(C)c1ccccc1CNc1n[nH]c(C2CC2)c1C#N 1474173651 SQCXJFPKSQRQRU-UHFFFAOYSA-N 280.375 3.894 30 20 CHED CCCOc1cccc(COc2ccc(C#N)c(OC)c2)c1 1559404686 CJWJXEOWQZLDQY-UHFFFAOYSA-N 297.354 3.935 30 20 CHED C[C@@H]1CCC[C@H](Nc2ncc(C#N)cc2Br)C1 1639264566 HAFSQYZDJWQZGF-KOLCDFICSA-N 294.196 3.706 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1CCc1ccc(C#N)cc1 1644756154 LQYGCCDQCGXZEW-OXQOHEQNSA-N 290.410 3.979 30 20 CHED COc1cc(OC[C@H]2CCCC[C@@H]2C)ccc1C#N 1643890724 OWABQIMMAVCBHM-GXTWGEPZSA-N 259.349 3.772 30 20 CHED C[C@@H](C#N)OCCN1CCCc2c(Cl)cc(Cl)cc21 1658910303 UPYLWNOXBJSYDF-JTQLQIEISA-N 299.201 3.675 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccncc1C(F)(F)F 1651356835 LBOJFBPNNYTSIW-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC(C)CC1(CNC(=O)Nc2sccc2C#N)CC1 1663160200 YAFWWQRDDZEHPT-UHFFFAOYSA-N 277.393 3.568 30 20 CHED CCCCCCCn1nc(C)c([C@H](C)C(=O)O)c1C 1595708804 HATWDTQSLYQODS-NSHDSACASA-N 266.385 3.658 30 20 CHED CCCCCCCN[C@]1(C)CCCC[C@@H]1C(=O)O 1595704523 SCXBNCNXRXYQQW-UKRRQHHQSA-N 255.402 3.580 30 20 CHED Cc1ccc([C@H](C)Nc2nccc(C)c2C#N)cc1 124886184 HZMSFMMSYUQKJY-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@H]2CCC[C@H](F)C2)CC1 1776168238 LRPHEPYGAZHGDH-GJZGRUSLSA-N 297.414 3.648 30 20 CHED C=CCC(C)(C)CN=c1c(C(=O)O)c[nH]c2c(C)cccc12 1776151491 DNWLOLRCAHRMSE-UHFFFAOYSA-N 298.386 3.678 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1ccccc1 1686696509 JIQLNIWYVBAMNU-ZWKOTPCHSA-N 298.430 3.968 30 20 CHED C=CCC[C@H](CC(C)C)C(=O)Nc1ccccc1C(=O)O 1776165917 HMGFXMXLXKASCZ-CYBMUJFWSA-N 289.375 3.952 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1ccc(F)nc1 1776783939 MDBNNQUHMCGUNP-CQSZACIVSA-N 296.386 3.514 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)o2)c(F)c1 1777433802 OZVZEBWTYREKCI-GQCTYLIASA-N 288.274 3.630 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C)cc1Cl 150727813 SRVQYWSXOOEJAB-UHFFFAOYSA-N 264.756 3.573 30 20 CHED CCN(CCC#N)C(=O)c1ccccc1SC(C)C 161173927 ZMCURHXSEQQTRQ-UHFFFAOYSA-N 276.405 3.563 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccccc2F)cc1 169461756 SGKDPNMIPGFGBK-KTKRTIGZSA-N 251.260 3.593 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)cc2)n1 160229836 CPHCGTRZTUYDGD-GOSISDBHSA-N 277.371 3.599 30 20 CHED CSc1cc(C)ccc1CNCc1ccc(C#N)s1 153531431 BCUVKPFKTXYYER-UHFFFAOYSA-N 288.441 3.940 30 20 CHED N#Cc1ccc(-c2nc3ccc(O)cc3s2)s1 1942246452 LUHMAKXYPAHAEJ-UHFFFAOYSA-N 258.327 3.602 30 20 CHED C[C@@H](CC(=O)Nc1cccc(C#N)c1)CC(C)(C)C 36805020 FTOKAJCSWOFQEE-LBPRGKRZSA-N 258.365 3.959 30 20 CHED Cc1cc(C#N)ccc1Oc1ccccc1[N+](=O)[O-] 38080515 DBTWVUFWQQZYSX-UHFFFAOYSA-N 254.245 3.567 30 20 CHED C=CCCC(C)(C)NCc1ccc(-n2cccn2)cc1 657804906 GWIZPBJCTJQOSB-UHFFFAOYSA-N 269.392 3.707 30 20 CHED CCc1ccc(CNCc2ccc(C#N)cc2F)s1 66594083 NGIGZMCDDCISQX-UHFFFAOYSA-N 274.364 3.611 30 20 CHED Cc1cc(N2CCC3(CCCCC3)CC2)cc(C#N)n1 308269893 HHGKAVIIFBRDCM-UHFFFAOYSA-N 269.392 3.812 30 20 CHED N#C[C@@H]1CCC[C@@H]1NCCc1cccc(C(F)(F)F)c1 600143334 ASLPRCAWRRHVON-JSGCOSHPSA-N 282.309 3.530 30 20 CHED N#Cc1ccnc(N[C@@H]2CC3CCC2CC3)c1Cl 311140952 GDXRFAIWKPLOHB-RTYFJBAXSA-N 261.756 3.597 30 20 CHED CC(C)=CCC[C@H](C)NCCc1cccc(C#N)c1 467428799 IXDJTAJWGVXEPP-HNNXBMFYSA-N 256.393 3.825 30 20 CHED N#CC1(/C(O)=N/[C@H]2CCOC3(CCC3)C2)CCCCC1 330186462 JTZQOSSWIGZNPD-ZDUSSCGKSA-N 276.380 3.519 30 20 CHED Cc1ccc(C(=O)N2CCC(CCC#N)CC2)c(Cl)c1 335384832 OVWUPVGLBVWQKB-UHFFFAOYSA-N 290.794 3.804 30 20 CHED N#Cc1ccc(N[C@H]2CC23CCCCC3)c([N+](=O)[O-])c1 387065650 XIZJITVSULOOJR-AWEZNQCLSA-N 271.320 3.601 30 20 CHED C=CCSc1nnc(-c2cccc(Cl)c2)o1 6158488 NOJAWFPRJMGBPN-UHFFFAOYSA-N 252.726 3.668 30 20 CHED C=CCCOC(=O)CCc1cc(Br)cs1 107410387 BBOIMVLBFCILCL-UHFFFAOYSA-N 289.194 3.563 30 20 CHED CN(C)[C@@H]1CCC[C@@H](/N=C/c2c(O)ccc3ccccc23)C1 178704154 KPXOZKOOSZBEKA-QVIZHSGGSA-N 296.414 3.837 30 20 CHED C=CCN(Cc1nnc(OCC)s1)CC1CCCCC1 69859788 BDIWZQVHMAKAJE-UHFFFAOYSA-N 295.452 3.505 30 20 CHED C=CCn1c(C)nnc1S[C@H](C)CCc1ccccc1 59739576 IERBDTTUBSPCCT-CYBMUJFWSA-N 287.432 3.886 30 20 CHED CC1CCC(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 56819078 VWGCQNSGPKUEGO-NPCAHTBFSA-N 299.418 3.745 30 20 CHED N#CCN(C(=O)C1CCCCCC1)c1ccccc1 171032341 RUKNADWTNRNXLD-UHFFFAOYSA-N 256.349 3.514 30 20 CHED CN(C(=O)c1ccc(Cl)c(Cl)c1)C1(C#N)CCC1 67684080 WECPFZMKUIQCPM-UHFFFAOYSA-N 283.158 3.512 30 20 CHED N#Cc1ccc(OCc2noc3c2CCCC3)c(Cl)c1 108661210 XKBYGJGQOWDWTM-UHFFFAOYSA-N 288.734 3.657 30 20 CHED N#CCCCOc1cccc(NC(=O)[C@@H]2CC=CCC2)c1 55568253 ILPQWRMKVQHMCC-CQSZACIVSA-N 284.359 3.664 30 20 CHED Cc1ccc(CNc2cc(Cl)ccc2C#N)cn1 62785687 KCCOYZOLNPMTKI-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1ccc(CCN(CCCC#N)Cc2ccco2)cc1 174043068 GMXOIAONGKFCHC-UHFFFAOYSA-N 282.387 3.937 30 20 CHED Cc1ccccc1[C@@H](NC(=O)N1CCC(C#N)CC1)C(C)C 69959314 BJSVIBUXFAFIIC-KRWDZBQOSA-N 299.418 3.637 30 20 CHED N#CCC[C@@H](C#N)CN[C@@H](c1ccccc1)C1CCC1 119884310 SKXTVXJMQOLVDK-YOEHRIQHSA-N 267.376 3.561 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCCCO1 61758832 UDGICIAKNLUGSF-GFCCVEGCSA-N 285.840 3.959 30 20 CHED N#Cc1cccc(-c2nc(Cc3ccccc3Cl)no2)c1 171797633 USZJINUOTBRWLO-UHFFFAOYSA-N 295.729 3.852 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc3ccccc3c2)C1 179902485 ZQVYGCQQFWOICN-LRDDRELGSA-N 265.312 3.689 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc2ccccc12 116931828 MRFAFEXDZYINRS-GFCCVEGCSA-N 254.333 3.926 30 20 CHED N#CCc1cccc(C(=O)Nc2cccc3cccnc23)c1 42349601 XMVPAZYHMSLIIL-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C[C@@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N 68841963 GDWUQTJUXOAHPB-ZDUSSCGKSA-N 295.342 3.900 30 20 CHED C/C(=C\C(=O)N1CCC(C#N)CC1)c1cccc(Cl)c1 175949426 SDFOKMIJZLJIPH-FMIVXFBMSA-N 288.778 3.505 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H](C)C1CC1 178390960 BHJBQDLJOVYALB-SECBINFHSA-N 293.750 3.562 30 20 CHED C[C@@H]1CN(c2ccc(F)cc2C#N)[C@H]2CCCC[C@@H]12 302067022 BAWHEFNZAPPXQP-WPGHFRTFSA-N 258.340 3.712 30 20 CHED CC(C)c1nsc(N[C@@H](C)c2cccc(C#N)c2)n1 301544551 KUNZZAOCNCPBDD-JTQLQIEISA-N 272.377 3.706 30 20 CHED CCc1ccc([C@H](C)C(=O)N(C)c2cccc(C#N)c2)cc1 67990273 QDMXZFFRQIENLJ-AWEZNQCLSA-N 292.382 3.887 30 20 CHED N#CCCCCNC(=O)C1(c2cccs2)CCCCC1 172411836 GBDAGQMXOZOPGB-UHFFFAOYSA-N 290.432 3.760 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 178799966 NMGQUZAQZJTYRA-FMKPAKJESA-N 287.407 3.765 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1cc(F)ccc1C 177870862 OLLCMLWEFZHCAG-NSHDSACASA-N 267.369 3.770 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[nH]1 121346712 VGRVFLPNCCEQMF-UHFFFAOYSA-N 281.359 3.685 30 20 CHED N#Cc1cccc(NC(=O)N2CCC3(CCCC3)CC2)c1 121531419 XSCLUVWVJPBDNP-UHFFFAOYSA-N 283.375 3.746 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(CCC#N)CC(F)(F)F 177613120 UZNHINDEBVVEQK-NSHDSACASA-N 290.329 3.507 30 20 CHED C[C@@H](CC#N)NCc1ccccc1Oc1ccccc1 68615189 REJMIDJPHQPFLZ-AWEZNQCLSA-N 266.344 3.871 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 408409011 ZHKTYGMWQFVKJF-CABCVRRESA-N 288.391 3.794 30 20 CHED CCCC(CCC)C(=O)[C@H](C#N)c1nc2ccccc2n1C 125906596 MMQXESFPDIWLJW-AWEZNQCLSA-N 297.402 3.966 30 20 CHED C=CCC[C@@H](NCc1ncnn1CC(C)C)c1ccccc1 183109476 OVOQRYOTNYLHJD-QGZVFWFLSA-N 298.434 3.731 30 20 CHED CC(C)(C)c1nn(CCC2CCCC2)c(O)c1CCC#N 187176771 YWPQUXIRATWKIO-UHFFFAOYSA-N 289.423 3.923 30 20 CHED Cc1ccc(C(C)(C)C/N=C(/N)Nc2ccccc2)cc1 303977019 KRNJNTLKDKXNAP-UHFFFAOYSA-N 281.403 3.699 30 20 CHED C=C/C(O)=N/[C@H](Cc1nccn1C(F)F)c1ccccc1 328597084 DHMQLXIYPWLDCG-GFCCVEGCSA-N 291.301 3.705 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 183861946 ZQVJZAHMLJSIOU-KZNAEPCWSA-N 292.382 3.752 30 20 CHED C=C(C)[C@H](NC(=O)CCCCOC)c1ccc(F)c(F)c1 186045678 NRUBOADTIGYZNS-INIZCTEOSA-N 297.345 3.515 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 128783921 MJNJBCDPSUEKHW-UHFFFAOYSA-N 281.359 3.784 30 20 CHED C=C(C)COc1cccc(NCc2ccc(F)nc2)c1 189159170 WYHQKNYXUXAXRE-UHFFFAOYSA-N 272.323 3.788 30 20 CHED C=C(C)CN(C)[C@H](C)C(=O)Nc1c(CC)cccc1CC 181286837 DSIROUZEIJHNQR-CQSZACIVSA-N 288.435 3.646 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 72025629 AJUZBWBEWIHWJR-CZUORRHYSA-N 288.391 3.952 30 20 CHED C=CC[C@H](C(=O)Nc1ccccc1O)c1ccccc1 188523519 NVLGAPVQBBSTAV-AWEZNQCLSA-N 267.328 3.691 30 20 CHED C=CCN(CCc1cncs1)CC1CCCCC1 411253027 CKEGBJIAQMXSBO-UHFFFAOYSA-N 264.438 3.754 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1 502442917 FAWHPRHTZMIYGO-INIZCTEOSA-N 294.398 3.702 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 37185917 YJVGSOKUGMJXSW-UONOGXRCSA-N 250.345 3.970 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2cc(F)ccc2C1 187718404 YTHGIRLCRPWUNH-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=C(C)[C@H](NC(=O)[C@H](C)C1CC1)c1ccc(F)c(F)c1 186052372 XJKHPJWGPAELJT-BMIGLBTASA-N 279.330 3.744 30 20 CHED CCC[C@@H](C)C(=O)Oc1c(Cl)cc(C#N)cc1OC 70745999 XJLPSLRYTHZGTE-SECBINFHSA-N 281.739 3.562 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](c1ccncc1)C(C)C 503946692 RKTGWFMUTTZLGU-GOEBONIOSA-N 274.408 3.682 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2ccccc2[C@H]1C 187985274 VBMOCKVGXXEUAJ-CXAGYDPISA-N 257.377 3.735 30 20 CHED CN(Cc1ccc(F)cc1C#N)CC1CCCCC1 489596237 LPXSCUGWNGYRGP-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CC(C)(NCCCCC#N)c1ccccc1Br 181518305 AUBGWOPXKAMAJQ-UHFFFAOYSA-N 295.224 3.968 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 79908274 JCGQZOUZDXVUEV-HNNXBMFYSA-N 294.379 3.581 30 20 CHED N#Cc1ccsc1C(=O)NCc1cccc2ccccc12 128055970 YWFMAPSVFRCLPT-UHFFFAOYSA-N 292.363 3.703 30 20 CHED CN(C)Cc1ccc(NCC(C)(C)CCC#N)c(F)c1 414488649 OSRCDXFSDYKNOB-UHFFFAOYSA-N 277.387 3.629 30 20 CHED CN(C(=O)Nc1cccc(C#N)c1)C1CCCCCC1 43329334 HVINQESYICBHIV-UHFFFAOYSA-N 271.364 3.745 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2ccccc2F)cc1 213640750 XKQBMMJPOZIPTK-YFHOEESVSA-N 281.286 3.624 30 20 CHED CCc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)o1 180555497 BYOHNLIQAFLHKG-CYBMUJFWSA-N 284.359 3.595 30 20 CHED CCN(Cc1ccc(Cl)cc1)[C@H](C)CCC#N 411201567 LQGPWDLVOLBLIF-GFCCVEGCSA-N 250.773 3.854 30 20 CHED C=CCSCCN[C@H](C)c1csc(C(C)C)n1 186395484 FOFXIBIDFCNIRB-LLVKDONJSA-N 270.467 3.836 30 20 CHED CC(C)(C#N)CCCNc1ccc(N2CCCC2=O)cc1 133656680 HFHVVHITQMEWDY-UHFFFAOYSA-N 285.391 3.555 30 20 CHED N#CCCN(C(=O)C1=CCCC1)C12CC3CC(CC(C3)C1)C2 133798194 AZFGVBFODKIQOY-UHFFFAOYSA-N 298.430 3.808 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cccc(Cc2ccccc2)c1 412167259 AKSXWDIRQZHQGN-HNNXBMFYSA-N 292.382 3.652 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2N(C)CCCC#N)cc1 75886319 WZHONQLSTGTJEM-IAGOWNOFSA-N 256.393 3.867 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(C(=O)CC)c1 188534258 WHOFSSLPTPVOJA-MRXNPFEDSA-N 259.349 3.820 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2nccs2)CCCCC1 413634012 AFSYDXCGODIIHO-LBPRGKRZSA-N 293.436 3.782 30 20 CHED C[C@@H](O)C[C@H](CNc1ccc(C#N)cc1)c1ccccc1 133597086 JLTHIWATGHXZPT-RHSMWYFYSA-N 280.371 3.525 30 20 CHED N#CCCN(Cc1cccc(Cl)c1)Cc1ccccn1 174832057 QXIXHFLXPSDORD-UHFFFAOYSA-N 285.778 3.651 30 20 CHED CC1(C)CCCC[C@@H]1/N=C(/O)C[C@H]1CCCC(O)=N1 329647267 JRQGRHGFJMUVBL-NEPJUHHUSA-N 266.385 3.811 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1ccc(OC)c(C)c1 130537065 WLGNERGGQAOKDX-UHFFFAOYSA-N 287.403 3.730 30 20 CHED O/C(=N/[C@@H]1CCOc2ccccc21)[C@@H]1CCc2cccnc21 329340035 ZHJJFDAEKRLYRY-HUUCEWRRSA-N 294.354 3.592 30 20 CHED C[C@@H]1c2ccsc2CCN1c1nc(Cl)c(C#N)s1 286320910 ZUDSCTVNYNZMEY-SSDOTTSWSA-N 295.820 3.853 30 20 CHED CCc1ccc(CCC(=O)N[C@@](C)(C#N)CC(C)C)cc1 502433622 WNISZIBSFZIHHK-GOSISDBHSA-N 286.419 3.626 30 20 CHED CC(C)CCN1CCC(CNCC(C)(C)CCC#N)CC1 80374326 IPZXVBCFMTZYFS-UHFFFAOYSA-N 293.499 3.664 30 20 CHED C=CCCCCCN(C)Cn1nc(C)sc1=S 131388616 UIHGIYMKXMJYBM-UHFFFAOYSA-N 271.455 3.618 30 20 CHED C=CCSCCNC(=O)N(C)[C@H](C)c1ccc(C)cc1 194628733 IHWOEFGMSRAYQR-CQSZACIVSA-N 292.448 3.617 30 20 CHED COc1ccc([C@@H](NCCCCC#N)C(C)C)c(F)c1 421827814 ZQNPAIUEUFAWNR-INIZCTEOSA-N 278.371 3.815 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(C)Oc2ccccc21 427276401 UHQCCRLUVLBGAJ-UHFFFAOYSA-N 285.387 3.959 30 20 CHED CCS[C@@H]1CCC[C@@H]1/N=C(/O)C[C@@H]1CCCC(O)=N1 329677927 WUKPZNUNWKMQGL-SDDRHHMPSA-N 284.425 3.516 30 20 CHED C[C@@]1(C(O)=Nc2ccc3nc(C4CCC4)[nH]c3c2)CCOC1 329666310 KYGKSSYREYHNOH-QGZVFWFLSA-N 299.374 3.845 30 20 CHED CCCn1c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc2ccccc21 191596307 WMDPPYRVUVCHDV-UKRRQHHQSA-N 296.370 3.900 30 20 CHED C=CCCCCN[C@H](C)c1ccc(Br)cn1 381300970 IFZSCNJDTWMOJF-LLVKDONJSA-N 283.213 3.851 30 20 CHED N#Cc1c(F)cccc1OC[C@@H]1CCC2(CCCCC2)O1 228023291 NAKXAGBOLIEAMP-ZDUSSCGKSA-N 289.350 3.958 30 20 CHED C[C@@H](NCC1(O)CCC(C)(C)CC1)c1cccc(C#N)c1 87048172 NQGQAMBJSGZCNY-CQSZACIVSA-N 286.419 3.540 30 20 CHED CCn1nccc1N/C(O)=N/[C@H](C)c1cc(C)sc1C 330676612 ANMFYYOISBLJJN-SNVBAGLBSA-N 292.408 3.668 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H](C)C1CCCC1 330016305 PIRFVBVXBPHKEI-JTQLQIEISA-N 276.380 3.819 30 20 CHED N#Cc1cc(NC(=O)CCC2CC2)ccc1OC(F)(F)F 337782752 NGYJHLHMZNSWHW-UHFFFAOYSA-N 298.264 3.586 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)CC(C)(C)C 92217628 CEEATICUALWZRB-UHFFFAOYSA-N 274.408 3.847 30 20 CHED CC[C@@H]1CCC[C@@H](N/C(O)=N/Cc2sc(C)nc2C)C1 330985437 PYIYKCVCTCXPFU-CHWSQXEVSA-N 295.452 3.732 30 20 CHED C=C(CN[C@@H]1CCc2ccc(OC)cc2C1)c1ccccc1 513505578 LABISIXHDQKHRX-LJQANCHMSA-N 293.410 3.856 30 20 CHED Cc1nnc(NCCCCC(C)(C)C)c(C#N)c1C 511393839 JZOBEQKRBNRDMQ-UHFFFAOYSA-N 260.385 3.593 30 20 CHED C[C@@H]1OCCC[C@@H]1C(O)=Nc1ncc(-c2ccccc2)cn1 330139549 WJFYNALRYRFPGF-WFASDCNBSA-N 297.358 3.547 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 339141958 VXMXKLJIQMQCCR-XJNFMUPTSA-N 281.403 3.748 30 20 CHED CC1CC(C#N)(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)C1 516852072 ZCGLZIGDHPYDMP-SWKXRBFHSA-N 288.435 3.744 30 20 CHED C=CCCC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 91822961 CLXQXTVDNRQHEW-UHFFFAOYSA-N 269.388 3.885 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(C#N)cc1Cl 337759491 JJVZMJBXGMWWPE-UHFFFAOYSA-N 295.729 3.644 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(F)c(F)c1 237764168 BBGGSDIPBVIXDY-UHFFFAOYSA-N 291.272 3.728 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H](C)c2ccco2)c1 335004250 LBPXYRWQHJWLKU-LBPRGKRZSA-N 283.331 3.685 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1sccc1Cl 336133709 NAMXEKMZDKXTNE-UHFFFAOYSA-N 290.775 3.545 30 20 CHED N#CCCNC(=O)C1(c2cccc(Cl)c2)CCCCC1 331164715 DOLGCEOWPDSRRY-UHFFFAOYSA-N 290.794 3.572 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 332628647 SMGRGNQENKHELI-SWLSCSKDSA-N 297.402 3.597 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CC(C)(C)c2ccccc21 436284957 NDDRJELXCYWFKV-WBAXXEDZSA-N 285.431 3.980 30 20 CHED C=CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 522269005 JZMNATSKBBZDTN-UHFFFAOYSA-N 296.370 3.826 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(C#N)cc2OC)C1 347248897 FTKRFBLHQGZCQF-QGZVFWFLSA-N 272.392 3.579 30 20 CHED C[C@H]1CCCC[C@@H]1OCCn1nc(C#N)c2ccccc21 432464864 RAUKKWGVGKGDNY-GUYCJALGSA-N 283.375 3.503 30 20 CHED C=CCC(C)(C)CN[C@@H](c1ccccc1)c1cncnc1 340425931 AZVCKGZAWDUCNV-KRWDZBQOSA-N 281.403 3.758 30 20 CHED COc1ccc([C@H](NC[C@@H](C)CCC#N)C(C)C)cc1 602510228 FKAUZUUKTCRMRF-WMLDXEAASA-N 274.408 3.922 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](C)c1cccc(Cl)c1 245971342 APGNHVFLTBQOKQ-WFASDCNBSA-N 267.800 3.660 30 20 CHED CN(CC1(c2ccccc2)CC1)c1nccc(C#N)c1Cl 342992478 WAPRBJWDVQBEIK-UHFFFAOYSA-N 297.789 3.775 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@@H](SC)C1)C1CC1 438990111 HPXPCDFKGUDIFM-ZNMIVQPWSA-N 253.455 3.995 30 20 CHED N#Cc1ccnc(SCc2coc(-c3cccs3)n2)c1 340991133 ZLJLEFHOSWEISE-UHFFFAOYSA-N 299.380 3.962 30 20 CHED COc1ccc(C#N)cc1CSc1nccn1C(C)C 435142627 IQQCMDFYYXRYFD-UHFFFAOYSA-N 287.388 3.637 30 20 CHED C[C@H](CCC#N)CN1CCO[C@@H](c2ccccc2Cl)C1 602462644 NUDBRECRSQPGNP-CZUORRHYSA-N 292.810 3.653 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H](C)CC#N)cc1 609987935 SPZJGJAVWJWAFD-KBPBESRZSA-N 272.392 3.722 30 20 CHED C=CCn1cccc1-c1nc(-c2cc(F)cc(F)c2)no1 345887849 QJNJXOKFFVQWOC-UHFFFAOYSA-N 287.269 3.669 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N[C@H](C#N)CC(C)C 609701642 SUZCVVFBQQQIMC-CABCVRRESA-N 272.392 3.543 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1ccccc1Cl 602504331 MNCRRMUDRUNSAY-NWDGAFQWSA-N 250.773 3.930 30 20 CHED CCCCCC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254629823 KTYJXSWYTPRVIA-UHFFFAOYSA-N 294.311 3.871 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc2ocnc12 341584940 MUIIREJSVLGPKO-UHFFFAOYSA-N 288.347 3.529 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2cccc3ncccc23)c1 254602136 ZTJJRSBYMLJRGS-UHFFFAOYSA-N 293.282 3.599 30 20 CHED N#Cc1c(SCCF)nc2c(c1-c1ccco1)CCC2 340663415 VLYFDOWOILZMAI-UHFFFAOYSA-N 288.347 3.764 30 20 CHED Cc1ccc2sc(CN3CCC(C)(C#N)CC3)nc2c1 528439358 MVFSGRGFFKTSEL-UHFFFAOYSA-N 285.416 3.730 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1cc2occc2s1 609856994 NILAEHPKCUWVPB-UHFFFAOYSA-N 298.323 3.627 30 20 CHED N#Cc1cccc(CN(C2CC2)[C@H]2CCc3ccccc32)n1 602447978 JBCFENKONJXVKC-IBGZPJMESA-N 289.382 3.605 30 20 CHED C[C@@H](CCC#N)CNc1cccc(N2CCCCC2=O)c1 602486787 ISDBBHGADRLNIC-AWEZNQCLSA-N 285.391 3.555 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C)oc1C 345360698 PGGDWSHXMSTNGC-UHFFFAOYSA-N 269.344 3.725 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(NC(=O)c3ccoc3)c2)C1 442867510 YLUCEHCHLWLCJH-MLGOLLRUSA-N 295.342 3.636 30 20 CHED C[C@H](CCC#N)N1CCc2cccc(C(F)(F)F)c2C1 528792284 CDMSQGBHTOSYCR-LLVKDONJSA-N 282.309 3.756 30 20 CHED C=CCN(C)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 444028632 WTLMSQUUJVPVOE-KGLIPLIRSA-N 266.429 3.809 30 20 CHED CCN(C)Cc1cccc(CNC2CCC(C)(C#N)CC2)c1 449130690 HHNVEMPWWRTZPF-UHFFFAOYSA-N 299.462 3.700 30 20 CHED COc1cc(CN2CCc3ccccc3[C@H]2C)ccc1C#N 442886081 PWFSFYRQDXZYTO-CQSZACIVSA-N 292.382 3.686 30 20 CHED N#CCCCCNC(=O)Nc1ccc(-c2ccccn2)cc1 353964356 VHRXQKVCBMBZMG-UHFFFAOYSA-N 294.358 3.564 30 20 CHED CC[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1F 354677052 OTJHREZKBWNDKA-NSHDSACASA-N 274.261 3.518 30 20 CHED COc1c(F)cc(F)cc1NCc1ccc(C#N)s1 355435035 HXLVKOMROCLPRQ-UHFFFAOYSA-N 280.299 3.519 30 20 CHED CSCCCCCNC1CCC(C)(C#N)CC1 449257436 LVSGDKQAYQTHQM-UHFFFAOYSA-N 254.443 3.582 30 20 CHED N#CC[C@@H](CC(=O)Nc1ccc(O)cc1F)c1ccccc1 356738622 MXUAMMFVXYBYPJ-ZDUSSCGKSA-N 298.317 3.557 30 20 CHED CC[C@H]1C(=O)N(c2ccc(C#N)c(Cl)c2)N=C1C(C)C 601948898 NHVHOVMYDQOZFH-GFCCVEGCSA-N 289.766 3.596 30 20 CHED CCN(C(=O)CC#N)[C@H](C)c1cccc(C(F)(F)F)c1 355954118 SQJVHYANTMBVSB-SNVBAGLBSA-N 284.281 3.529 30 20 CHED C=C(CC)CSCC(=O)Nc1c(C)cccc1C 358631483 BMXOKMDLQUDSOL-UHFFFAOYSA-N 263.406 3.941 30 20 CHED Cc1cccc(CN(C)C(=O)c2ccc(F)c(C#N)c2)c1C 358771744 RGAZMNFIJIYGSY-UHFFFAOYSA-N 296.345 3.586 30 20 CHED CC#CCNc1cccc(COC2CCCCC2)c1 539517273 WBGVKNJYVOYVJE-UHFFFAOYSA-N 257.377 3.971 30 20 CHED C=CCC1(NC(=O)[C@H](C)Oc2cccc(F)c2)CCCC1 619115207 WZUUIQQMQOTJMB-ZDUSSCGKSA-N 291.366 3.598 30 20 CHED C=CCOc1cccc(CN(C)CCc2cccs2)c1 537650032 YIMDMOWILIEIGP-UHFFFAOYSA-N 287.428 3.987 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)CC1 356267487 REBPLYZROLQENX-CABCVRRESA-N 291.435 3.587 30 20 CHED CC[C@H](CC(=O)N(CCC#N)CC1CC1)c1ccccc1 264014130 CIKCSVGSCZZYMY-MRXNPFEDSA-N 284.403 3.723 30 20 CHED CC1CC(C#N)(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)C1 531555210 MEMRHIPCZXWGOE-LWGFOQHQSA-N 296.414 3.855 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)c1cc(C)cc(C)c1)OCC 533707318 BORAUKWFTKTJPF-RDJZCZTQSA-N 289.419 3.852 30 20 CHED CCOc1ccccc1N(C)Cc1cc(C#N)ccc1F 535878436 YZYOCQZOPWQOKH-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C[C@@H]1CCN(Cc2cc(C#N)ccc2F)CC12CCC2 357048395 WFYVRDLAEUAXBI-CYBMUJFWSA-N 272.367 3.709 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C(C)(C)C)C1 442899735 QPDJMGVLOODOLF-BBRMVZONSA-N 256.393 3.987 30 20 CHED C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1cccc(Cl)c1 612236833 OXEOCIXTYJZUQG-WBMJQRKESA-N 290.794 3.596 30 20 CHED CC1(C#N)CCC(N[C@@H]2C[C@@H]2Cc2ccccc2)CC1 449153765 KWGWDLPSMGTJLS-PBHCIXSXSA-N 268.404 3.680 30 20 CHED CCCN(Cc1ccccc1F)C(=O)CC(C)(C)C#N 618634078 MSZHWNJPFAKMAQ-UHFFFAOYSA-N 276.355 3.504 30 20 CHED COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1C 618741676 KHHOQEUSIISNMF-SFHVURJKSA-N 292.382 3.652 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 351115251 MCBAJAPNTYPSHO-UKRRQHHQSA-N 288.439 3.747 30 20 CHED C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 610519053 UNCPPZPAHVNVIP-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C[C@H]1CC/C(=C\C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 267881613 UBBMUAUFNQYRID-MPMPPSQCSA-N 294.398 3.796 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ncc(C(C)(C)C)s1 459445549 MXXYCARQMLOANQ-UHFFFAOYSA-N 294.424 3.502 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)NCc1ccc(C#N)c(Cl)c1 619766913 KWASYHLDGSFLOR-WDEREUQCSA-N 278.783 3.510 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1cccc(F)c1C#N 611541245 JQCCWBBKDYQXAB-NXEZZACHSA-N 286.272 3.865 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)NC[C@@H](C#N)CCC#N 539227139 YVUNZAMVJMNZPV-HUUCEWRRSA-N 285.391 3.568 30 20 CHED C=CCn1c(SCCCCCC(C)=O)nnc1C1CC1 450644372 DDIQMDFIILGOAU-UHFFFAOYSA-N 293.436 3.583 30 20 CHED N#CCCCC(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 456761956 JRGSCEFUZFXRJQ-DLBZAZTESA-N 284.403 3.770 30 20 CHED C=CCCCCNC(=O)c1ccccc1C(F)(F)F 274514111 YFIIKEQFLGEVSR-UHFFFAOYSA-N 271.282 3.792 30 20 CHED C=CCN(C(=O)c1cncc(-c2cccc(C)c2)c1)C1CC1 368581544 GVQFYZXORHGKKF-UHFFFAOYSA-N 292.382 3.848 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(C)c(Cl)c1Cl 450095895 DORWQIZVKHQNDH-QMMMGPOBSA-N 258.148 3.606 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC=C(C)C 276797895 JYABPYNJDHEKOP-UHFFFAOYSA-N 299.418 3.836 30 20 CHED C=C(CC)CNC(=O)Nc1cnn(CC(C)C)c1C1CC1 455431096 UINWLLQBRPGGHG-UHFFFAOYSA-N 290.411 3.504 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCCC3)cc2)C1 278613412 FTLSWVMYBWTMFA-GOEBONIOSA-N 269.392 3.781 30 20 CHED CN(C(=O)NCC(C)(C)C#N)[C@H]1CCC[C@@H]1c1ccccc1 458636086 BLJUJUDKFCJTBK-CVEARBPZSA-N 299.418 3.514 30 20 CHED C=CCN(CCC#N)Cc1c(F)cc(C)cc1Cl 459557045 KXIXMUXUAYIQOF-UHFFFAOYSA-N 266.747 3.689 30 20 CHED C=C(C)CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 274867681 WFYPNRQEZDVJHD-LBPRGKRZSA-N 287.329 3.505 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)c2ccsc2)C1 617784689 XOBPQORJVGTNCG-STQMWFEESA-N 263.406 3.666 30 20 CHED C=CCOc1cccc(NC(=O)N2CC(CC)(CC)C2)c1 454573298 HFKQEOMUPZZKAE-UHFFFAOYSA-N 288.391 3.905 30 20 CHED C=CCN(Cc1cc(Cl)c(OC)c(OCC)c1)C1CC1 542690665 HQMFTACFXAPPTF-UHFFFAOYSA-N 295.810 3.898 30 20 CHED C=CCN(C(=O)[C@@H](c1ccccc1)C(C)C)C1CC1 541593365 FOFJJQHGZTZJLX-MRXNPFEDSA-N 257.377 3.603 30 20 CHED C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 456983224 OZWMSICUIRCARV-LLDVTBCESA-N 298.430 3.993 30 20 CHED C=CCCCCNC(=O)C[C@@H](C)c1ccccc1OC 274484175 PLHXKCYZBBDPLH-CQSZACIVSA-N 275.392 3.661 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1cc2ccccc2s1 360184971 WCUVCYAOLTYKLT-LLVKDONJSA-N 272.373 3.772 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)C2[C@H]3CCC[C@H]23)cc1C#N 452686709 RZCXGZXBAFJQEF-KBPBESRZSA-N 298.386 3.720 30 20 CHED CCC[C@@H](NC(=O)CCc1ccc(C#N)cc1)C1CCCC1 458331439 FBCYVQPUKWBHSP-GOSISDBHSA-N 298.430 3.966 30 20 CHED C=CCCC[C@H](C)NC(=O)c1scnc1C(C)C 450421053 DEIQTQVIAKOQTK-NSHDSACASA-N 266.410 3.741 30 20 CHED N#CCc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1 270319377 VAUPTGRWTBVPQQ-UHFFFAOYSA-N 290.366 3.557 30 20 CHED N#CCN(Cc1ccnc(Cl)c1Cl)C1CCCC1 278894720 IFXPDVMASCKGPM-UHFFFAOYSA-N 284.190 3.657 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(OC)c2ccccc12 540397682 RNEUEFFHDCWIEM-LSDHHAIUSA-N 299.414 3.684 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)[C@H](C)C1CCCCC1 466963358 JIKYSSJRLGLBEL-UONOGXRCSA-N 266.429 3.809 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCC[C@@H]1CCC)OCC 542589659 HYUVAZMUGVJCEK-LSDHHAIUSA-N 267.413 3.539 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccc(CC)cc1 540526950 QIOCQDBXURESOU-CQSZACIVSA-N 259.393 3.653 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc(-c2c(C)noc2C)cc1 285673653 FGRCMDLKJLVHBD-KRWDZBQOSA-N 298.342 3.804 30 20 CHED C#CCC1(C(=O)N2CCC=C(c3ccco3)C2)CCCCC1 286257997 KUKZTTGYNABJQQ-UHFFFAOYSA-N 297.398 3.869 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H]3CCC[C@H]32)c1 285651365 MGFCVOJWOJGOPX-IUODEOHRSA-N 288.778 3.616 30 20 CHED C=C(C)CN(C)C(=O)[C@H](CC)C1CCC(C)CC1 461103463 YVMWUAPZNVSPEP-YMAMQOFZSA-N 251.414 3.873 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](OCC)C12CCCC2 467335502 KZUGBEORXDQOLU-HZPDHXFCSA-N 291.435 3.609 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@@H]1C 466379173 VXTNEBXBLYOAAW-MELADBBJSA-N 252.402 3.561 30 20 CHED CC(C)[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)c1cccc(C#N)c1 463951456 QMTGPMCRHFSLKB-BMGDILEWSA-N 298.430 3.993 30 20 CHED N#Cc1ncccc1N[C@@H](c1ccccc1)c1ccccn1 378021003 XVTPMBZMOVVXPB-SFHVURJKSA-N 286.338 3.550 30 20 CHED C=CCC(C)(C)CN[C@H](COC)c1ccc(F)c(F)c1 556217019 LFKKLKUUGKNVNV-OAHLLOKOSA-N 283.362 3.844 30 20 CHED Cc1c(C#N)c(SCCCCCF)nc2c1CCC2 559980347 JJPOGIWACAWXFO-UHFFFAOYSA-N 278.396 3.982 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1sccc1C#N 558761604 KVDUQOOFWRLXBL-LSDHHAIUSA-N 296.395 3.924 30 20 CHED CCC(CC)[C@@H](NC(=O)[C@@H](C)C#N)c1cccs1 467951205 BLKWSRHYICSAJS-GXFFZTMASA-N 264.394 3.501 30 20 CHED COc1cc(C)ccc1-c1noc(-c2ccc(C#N)cc2)n1 389692918 AWKLRSQAPXPNJK-UHFFFAOYSA-N 291.310 3.592 30 20 CHED C=C(Cl)CN[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 280138900 DOIVXRNXOXYEPL-NWDGAFQWSA-N 283.799 3.538 30 20 CHED COc1ccc(C)cc1CCNc1ccc(F)cc1C#N 462924084 DTCRWBNFVCTYNO-UHFFFAOYSA-N 284.334 3.669 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@H]2CC[C@H](F)C2)c1 558030145 WDAUPVJQGXDPOW-UWVGGRQHSA-N 272.245 3.880 30 20 CHED CC[C@H](NCCCCC#N)c1cccc(Cl)c1O 287765990 RFWKCIFRAKDGJG-ZDUSSCGKSA-N 266.772 3.780 30 20 CHED C=C(CNC(=O)N1CCCC(F)(F)CC1)c1ccccc1 637147649 VLHNYURULYNLMY-UHFFFAOYSA-N 294.345 3.531 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H]2CCCC(F)(F)C2)c1 800721854 SXGQGIQLUGUVND-VDCVXVNISA-N 283.318 3.645 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](CC1CCCC1)C(C)C 479214897 KUYLLCIZSZUVOR-HNNXBMFYSA-N 251.414 3.873 30 20 CHED N#Cc1ccc(OCCNc2cc(F)cc(Cl)c2)cc1 477541831 HINUYHRNTUAYGL-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=CCC[C@@H](NCC1(OCC)CCCC1)C1CC1 559891049 MIBLRBAZWVNJIM-OAHLLOKOSA-N 251.414 3.670 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@H]1CCCC(F)(F)C1 800005374 LIKYWKMMLCTKRD-CYBMUJFWSA-N 293.313 3.852 30 20 CHED C#Cc1ccc(CN(CC)[C@H](C)c2cccc(O)c2)cc1 809549163 OBBBBQVTVZBYIY-OAHLLOKOSA-N 279.383 3.957 30 20 CHED CCCc1cccc(/C=C\C(=O)c2ccnc(O)c2)c1 806554607 BTMIJSWEKBDHDB-FPLPWBNLSA-N 267.328 3.636 30 20 CHED CCCCCCCCC[S@](=O)Cc1ncc(C)cn1 809171327 OHTXQTMZCYTJEF-IBGZPJMESA-N 282.453 3.784 30 20 CHED CSc1ccc(NC2CCC(C)(C#N)CC2)cn1 569425258 VGVGUXLEGOPHIH-UHFFFAOYSA-N 261.394 3.688 30 20 CHED CC(C)c1ccc(CN(CCO[C@@H](C)C#N)C2CC2)cc1 801909983 JOXMDGAMANXCIK-HNNXBMFYSA-N 286.419 3.703 30 20 CHED CC(C)(C#N)C(=O)OCc1ccc(C2CCCC2)cc1 808506361 ZBIPODKEIKUBLV-UHFFFAOYSA-N 271.360 3.937 30 20 CHED COc1cc(/C=C2\C(=O)c3ccccc3[C@@H]2C)ccc1C#N 809159804 XBUBVMTWBJSMFY-CHROMADKSA-N 289.334 3.950 30 20 CHED O=C(O)c1ccccc1NN=C1CCC[C@H]1CCCF 800807934 DAEJBVMBCATHSV-NSHDSACASA-N 278.327 3.703 30 20 CHED CSC[C@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297833206 QTJBHRGOORCEGR-VIFPVBQESA-N 296.461 3.855 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@H]2CNC[C@H]2C1)c1ccccc1 643549227 VDTNFPNUCCIYFX-MANSERQUSA-N 284.447 3.672 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)s1 647371078 JSLWWPCQHTXMKE-JTQLQIEISA-N 288.397 3.881 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc2oc(C)nc12 640245948 MFFMMMVTPRFAGJ-LBPRGKRZSA-N 285.347 3.709 30 20 CHED CCCc1ccc(CSCCO[C@H](C)C#N)cc1 802750188 ZBLRQDZOLMRAMF-CYBMUJFWSA-N 263.406 3.801 30 20 CHED N#CCCCc1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 291103158 RRNDNKKLPMTNKQ-UHFFFAOYSA-N 299.227 3.741 30 20 CHED CC(C)c1ccc([C@@H](C)OC(=O)c2cnccc2C#N)cc1 805717355 YNVSZADETJHLCA-CYBMUJFWSA-N 294.354 3.995 30 20 CHED C=CCCOCC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 644844969 ZSLDHMUIJZUEID-MRXNPFEDSA-N 287.403 3.579 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@@H](C)c3ccccc32)n1 807973669 HVRVWSXSTBDMOA-SECBINFHSA-N 286.766 3.762 30 20 CHED Cc1ccc(C#N)c(Nc2ccc3sc(C)nc3c2)n1 804606522 RDEWOABFOWNIEP-UHFFFAOYSA-N 280.356 3.923 30 20 CHED COCc1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1 806576520 DKNLHVCPBMTPPB-MDWZMJQESA-N 299.757 3.704 30 20 CHED CC[C@@H]1CCC1=NNc1cccc(C(F)(F)F)n1 807972677 TYZXRHBHXBCWRT-MRVPVSSYSA-N 257.259 3.688 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1nccn1-c1ccccc1 803072097 FZQFMKOGVPWINT-OAHLLOKOSA-N 296.370 3.670 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)cc1Cl)C1CC1 805701091 OCLKCFGUVIXREL-UHFFFAOYSA-N 277.751 3.691 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H](c3cccnc3)C2)cc1 800220969 FJCFBPROJXJLMH-PKOBYXMFSA-N 291.398 3.769 30 20 CHED C[C@@H]1CCCC[C@@H]1N1CCC(=NOC2CCC2)CC1 812236818 VPIKREFBMBQURY-CJNGLKHVSA-N 264.413 3.586 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 488844356 WVXFSPIZWHNWBO-YNEHKIRRSA-N 289.341 3.922 30 20 CHED CCCC(=NNCc1ccc(F)c(F)c1)c1ccccn1 814808411 KDOIKGGSBLSRKK-UHFFFAOYSA-N 289.329 3.654 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1ccc(OC(C)C)cc1 819814934 ITEDWXAWYRNGIJ-HNNXBMFYSA-N 297.402 3.944 30 20 CHED Cc1nc(N2CCC[C@H]2/C=C/c2ccccc2)ccc1C#N 488096043 CNBVQEFYRFTSAD-CKDFRHGISA-N 289.382 3.944 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](CC)Cc1ccc(Cl)cc1 658028006 BWJXTLCFUVXILD-XHSDSOJGSA-N 279.811 3.594 30 20 CHED C=CCNC(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 487911559 MOQUDZSFJBLROR-GOSISDBHSA-N 292.382 3.826 30 20 CHED Cc1nc(Cl)cc(NN=C2CCCC23CCCC3)n1 814855060 FKFKIXAYZPIIIG-UHFFFAOYSA-N 278.787 3.951 30 20 CHED C=C(C)CN1CCC(N[C@H]2CS[C@@H](C(C)(C)C)C2)CC1 488433970 RXWZGNMICZUDDS-HZPDHXFCSA-N 296.524 3.537 30 20 CHED Cc1ccc(C(=O)N2CC[C@H](C3CCCC3)C2)cc1C#N 817466314 IXGSIGLURPQHSD-INIZCTEOSA-N 282.387 3.519 30 20 CHED N#C[C@@H](C(=O)CCCC1CC1)c1ccc2ccccc2n1 813057682 PAFNTRHUAWAFLT-OAHLLOKOSA-N 278.355 3.991 30 20 CHED C=C(Cl)COC(=O)c1ccc2c(c1)CCCCC2=O 811421951 ZCFAHYYYZVGAKC-UHFFFAOYSA-N 278.735 3.505 30 20 CHED C#CCON=C1CCCc2c(Cl)sc(Cl)c21 812236481 QAFVMCXSHSVIQL-UHFFFAOYSA-N 274.172 3.745 30 20 CHED CCc1ccccc1NN=C1CC[C@@H](CC(=O)O)[C@H]1C 814802268 ZCIGCTIAHMHWDS-YPMHNXCESA-N 274.364 3.538 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2cccc(Cl)c2)c1 728480154 GQTKHUBTNVBVGA-UHFFFAOYSA-N 297.785 3.917 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)c(Cl)n1C 817456905 HUSBDVKNBXUIBQ-UHFFFAOYSA-N 289.206 3.664 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CO[C@@H]1CCCC[C@@H]1CC 488815243 AOZNPCBIMWKKMP-ARFHVFGLSA-N 279.424 3.539 30 20 CHED CC1(C)CC[C@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 573354419 PFTSTGQYIWMOPW-ZDUSSCGKSA-N 288.366 3.899 30 20 CHED C=CC[C@H]1N(C(=O)C(F)(F)CC=C)CCCC1(C)C 816500379 RXFCYHRNRPVMTR-GFCCVEGCSA-N 271.351 3.791 30 20 CHED C#Cc1ccccc1CC(=O)N(CCCCC)C(C)C 811877323 LEMFAEWLLWVUOR-UHFFFAOYSA-N 271.404 3.638 30 20 CHED c1cncc(-c2noc(NN=C3CCCCCCC3)n2)c1 814950466 HYRRNKWBTNAVIO-UHFFFAOYSA-N 285.351 3.644 30 20 CHED C=CCC[C@@H](NCc1cnn(C)c1Cl)c1ccccc1 815132348 TWOPNFNJGAXVDO-OAHLLOKOSA-N 289.810 3.871 30 20 CHED CC(C)c1cnc(C=NNc2ccccc2F)s1 814790508 VFCJCOZHNHYNQR-UHFFFAOYSA-N 263.341 3.852 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(O)cc1F 729931683 RQRIGEZMYNCQCV-UHFFFAOYSA-N 262.259 3.507 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c(OC)c(OC)c1 650544740 PVJJXGJOGOUTMJ-HNNXBMFYSA-N 297.782 3.898 30 20 CHED CC1(C)Cc2cc(C=NOCc3ccccc3)ccc2O1 729142992 HYSJRSUMADAACW-UHFFFAOYSA-N 281.355 3.951 30 20 CHED C=CCN(CCOC)Cc1cnc(C2CCCCC2)s1 572429955 LHBCSNCPFMILED-UHFFFAOYSA-N 294.464 3.825 30 20 CHED C=CC[C@H](C)C(C)=NNc1nc(-c2ccccc2)no1 727778873 RWNSSKAHKLFOTE-NSHDSACASA-N 270.336 3.737 30 20 CHED C=CCn1c(-c2ccc[nH]2)nnc1N(C)c1cccc(C)c1 570218828 BRWPJEZYPRBVCN-UHFFFAOYSA-N 293.374 3.536 30 20 CHED C=C(Cl)CNCc1ccc(F)c(Cl)c1Cl 308878897 OXPDVHSWWUWNFX-UHFFFAOYSA-N 268.546 3.975 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(O)c(C)c1 728225065 GXCBOOCDFXMDHN-UHFFFAOYSA-N 254.333 3.845 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(/C=C\C)cc1 497409745 CMEOUCNCXHSEAP-DAXSKMNVSA-N 256.349 3.926 30 20 CHED CCCCOc1ccccc1/C=C\C(=O)c1cn(C)nc1C 588476727 AZPJSWQEHVYBDT-KHPPLWFESA-N 298.386 3.804 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 823894664 WCHVAMXXRYOOFA-UONOGXRCSA-N 299.422 3.652 30 20 CHED C=CCCNC(=O)Nc1cc(Cl)c(Cl)cc1OC 666868735 ARLOPXOFCPUFMP-UHFFFAOYSA-N 289.162 3.700 30 20 CHED C=CCN(C)C(=O)Nc1cc(SC)ccc1Cl 667466277 UCJSVRLXAZRZFZ-UHFFFAOYSA-N 270.785 3.712 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(C#N)cc1)C2=O 729151989 ZKWWBPLEQONYSZ-OQLLNIDSSA-N 259.308 3.689 30 20 CHED CCCCCCCCC(=O)N[C@H](C)c1nccc(C)n1 823712645 ZCCMBAUVXUMEQN-CQSZACIVSA-N 277.412 3.713 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1 588524157 ZSELEDLMZCVHDC-WMZJFQQLSA-N 284.334 3.573 30 20 CHED CC(C)N(C)c1ccc(/C=C\C(=O)c2ccc(O)cc2)cn1 588578396 XVDTVVFUWJDBMQ-WMZJFQQLSA-N 296.370 3.528 30 20 CHED C#CCN(CC)C(=O)c1sc(-c2ccccc2C)nc1C 491036916 BNVDSRIHRDAPJI-UHFFFAOYSA-N 298.411 3.522 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)COC 665134122 KWOYZCCJSNLVDW-LBPRGKRZSA-N 296.798 3.703 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N(C)CC(C)(C)C#N 497293899 NDYVXNLBCHMFTE-HNNXBMFYSA-N 278.440 3.991 30 20 CHED CCOCCC1(CN[C@@H](CC)c2cccc(C#N)c2)CC1 902886364 NFUYEFFWJSSUDF-KRWDZBQOSA-N 286.419 3.806 30 20 CHED C/C=C\c1ccc(NC(=O)NCc2cccc(C#N)c2)cc1 497332587 XUSREPSMJBZGAK-RQOWECAXSA-N 291.354 3.913 30 20 CHED C#CC[C@@H](NCc1ccc(C)cc1OC)c1ccccc1 824037563 SZRNOPSXCANIHF-GOSISDBHSA-N 279.383 3.858 30 20 CHED CC[C@@H](NCC1(C#N)CC1)c1cccc(Cl)c1F 903107054 ZPOHCCAHYPXAPH-GFCCVEGCSA-N 266.747 3.824 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCOC(C)(C)C1 837218104 JSWSMTNIISFQNE-AWEZNQCLSA-N 269.429 3.668 30 20 CHED Cc1cc(C)cc([C@H](C)/N=C/c2cccc(O)c2O)c1 730434148 GWMXXYUXBFGMBS-SGPNVBEDSA-N 269.344 3.895 30 20 CHED C=CC[C@@H](C)Nc1nn2cc(-c3ccccc3)nc2s1 735075961 HQMRULRJIAEGAA-LLVKDONJSA-N 284.388 3.834 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H]3C[C@@H]32)c1 588066735 XESYXULWYDWLIN-PWSUYJOCSA-N 266.266 3.566 30 20 CHED CCC(CC)N(CC)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 589648590 YBACFVDHVLWCTG-QGZVFWFLSA-N 299.418 3.766 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)CC[C@H]1CCCO1 839435060 HVAKUJHYPUQPRS-MRXNPFEDSA-N 294.354 3.609 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)C1CCSCC1 839435845 PUSDQSCVRGZTJX-UHFFFAOYSA-N 296.395 3.793 30 20 CHED COc1cccc(C=Nc2cc(C)c(O)c(C)c2C)c1O 588506912 NBXIJWQNXAHNQC-UHFFFAOYSA-N 285.343 3.782 30 20 CHED Cc1cc(Cl)cc2c1OCCC[C@H]2NCC1(C#N)CC1 903105219 AVZXWLIEXDSJPW-CQSZACIVSA-N 290.794 3.756 30 20 CHED CCc1nc(C)c(C(C)=NNc2cccc(F)c2)s1 735230081 XNUXXZLPGBQZMD-UHFFFAOYSA-N 277.368 3.989 30 20 CHED Clc1cc(Cl)c(NN=C2CCOC2)c(Cl)c1 731923195 ZCIRKLHTLUMLOS-UHFFFAOYSA-N 279.554 3.835 30 20 CHED Cc1nc([C@H](C)NCC(C)(C)CCC#N)c(C)s1 588231629 ASBJEHLDASMNBJ-JTQLQIEISA-N 265.426 3.741 30 20 CHED C[C@@]1(C(=O)N(O)Cc2cccc3ccccc23)CC1(F)F 901370568 ACRHKLZQPJZUEH-HNNXBMFYSA-N 291.297 3.603 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCc1ccc(C#N)c(C)c1 838115741 CIWIUGOSQPCKOV-LBPRGKRZSA-N 299.292 3.889 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC)c(SC)c1 837766911 DGLHOSBGKZJBNO-UHFFFAOYSA-N 291.416 3.939 30 20 CHED C[C@@H](CC(C)(C)C)OC(=O)Cc1ccccc1CC#N 835706070 ZUXUYNKZMKOAMH-ZDUSSCGKSA-N 273.376 3.663 30 20 CHED C=C(Br)COC(=O)c1cc2cc(F)ccc2o1 735552436 VGYSSXIKAYAEIK-UHFFFAOYSA-N 299.095 3.637 30 20 CHED CCCCCCCC(=O)O[C@@H](C)C(=O)NC1CCCCC1 919222592 FIMLFQXJYIBOPM-AWEZNQCLSA-N 297.439 3.728 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccsc1Cl 598824062 UWQSAZYOZGYDFC-UHFFFAOYSA-N 284.812 3.994 30 20 CHED C=CCC[C@H](CCC)NC1CCC(O)(CC)CC1 678548426 NUSVLZRXHCBUFA-FHERZECASA-N 253.430 3.795 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)CCC1CCCCCC1 594033529 RGFUKTABGOHVOD-INIZCTEOSA-N 262.397 3.545 30 20 CHED C[C@@H](C#N)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 835238492 OFVAEKRFYNCOPQ-INTQDDNPSA-N 298.169 3.800 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H]2CC23CCC3)c1 675323714 NZIJCSKKIZOJAQ-OAHLLOKOSA-N 271.360 3.770 30 20 CHED Cc1ccc([C@@H](C)NC(=O)N2CCC(CCC#N)CC2)cc1 591904530 MBZIPCCCZBYMAB-OAHLLOKOSA-N 299.418 3.781 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 679526873 XROGIRYXLMXQKV-DGCLKSJQSA-N 289.341 3.944 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@@H](CC)C1)C(C)C 741091660 UGDCWCJWDTXCAB-KGLIPLIRSA-N 252.402 3.561 30 20 CHED CC(=NNc1ncccn1)[C@H](C)c1nc2ccccc2s1 748781345 XVTHOYXKBBCERD-JTQLQIEISA-N 297.387 3.678 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2nc3ccccc3n2C)o1 915967157 DAPQLMCHMMBSLY-YPMHNXCESA-N 294.358 3.736 30 20 CHED N#CCC1(CN=c2ccc3cc(F)cc(Cl)c3[nH]2)CC1 591937481 URRBZFGXAUNTPE-UHFFFAOYSA-N 289.741 3.555 30 20 CHED CCN(CC#Cc1cccc(Cl)c1)CCC(F)(F)F 676557756 SZWFXJCGVYNDBF-UHFFFAOYSA-N 289.728 3.966 30 20 CHED C=CCOC(=O)c1cc(C(F)(F)F)ccc1OCC=C 740328173 FGBKJDAFYLSKIC-UHFFFAOYSA-N 286.249 3.613 30 20 CHED CCCCCCCCOC(=O)c1scnc1C 919164308 QZUSZLVHMBLOLL-UHFFFAOYSA-N 255.383 3.969 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(CCCC)cc1 596644643 MLHYQJNJJCSIQH-UHFFFAOYSA-N 257.377 3.843 30 20 CHED CCN(C(=O)CC(C)(C)C1CCCCC1)[C@H](C)C#N 598362457 FPIMJFAJUMSRFG-CYBMUJFWSA-N 264.413 3.744 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)cc1 598471860 NCNUNDHQIIACSY-GOSISDBHSA-N 296.414 3.991 30 20 CHED CCO[C@H]1CC(=NOCc2ccccc2)C12CCCC2 743434052 JQSFBJCXBULXIV-INIZCTEOSA-N 273.376 3.928 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)CC#N)C1CCCCC1 590921959 GYRKHOGYYVKBIL-AWEZNQCLSA-N 279.428 3.584 30 20 CHED C=CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 919970170 RRJTZERIBQNYLJ-UHFFFAOYSA-N 288.778 3.663 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(C(F)F)cc1F 847692940 XEHUFWUTBKASKT-SECBINFHSA-N 271.238 3.612 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1CCC2(CC1)CC2 597143648 AYLWZZDNMDSRMB-UHFFFAOYSA-N 276.424 3.745 30 20 CHED Oc1nc2ccccc2cc1/C=N\[C@H]1CCC[C@@H]2C[C@H]12 840711026 OGOZHPWJUAFNGY-RQTSPHEHSA-N 266.344 3.548 30 20 CHED CC(=NNc1ccc(F)cc1)c1cnn(-c2ccccc2)c1 746485219 SOWLKBYXZXYUMC-UHFFFAOYSA-N 294.333 3.848 30 20 CHED COc1cc(C)cc(OC)c1OCCc1ccc(C#N)cc1 596240330 VWDKPAQZLYURQD-UHFFFAOYSA-N 297.354 3.505 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C\c1cc(C)n(C)n1)CC2 843272741 MYOWAAPLJPXPJO-LCYFTJDESA-N 298.411 3.663 30 20 CHED Cc1nc(Cl)cc(N[C@H]2CCCc3cc(C#N)ccc32)n1 842050861 ZQUKDZABKIPAFP-AWEZNQCLSA-N 298.777 3.800 30 20 CHED C[C@@H]1CN([C@H](C)CCC#N)CCc2ccc(Cl)cc21 593067073 RTKMVGIVSLJWAB-CHWSQXEVSA-N 276.811 3.994 30 20 CHED CC(=NNc1nccnc1Cl)[C@@H](C)c1ccccc1 746372747 SMQVESJBOANDMF-SNVBAGLBSA-N 274.755 3.722 30 20 CHED CCCN(CC(C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 593960040 KFVCGRQDHFLMLF-HNNXBMFYSA-N 286.419 3.631 30 20 CHED N#CC1(CNC(=O)CCC2CCCCCC2)CCC1 594373150 MRDILEXSORZZHT-UHFFFAOYSA-N 262.397 3.547 30 20 CHED CN(CCC(C)(C)C)C(=O)c1cc2ccccc2n1CC#N 592684328 NAQVDXKKEWGDIB-UHFFFAOYSA-N 297.402 3.673 30 20 CHED C[C@H]1CC=C(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)CC1 842942522 KNZNYMZGXJJZFW-GXFFZTMASA-N 286.400 3.943 30 20 CHED C#CCOc1ccc(C(=O)N2CCC[C@@](C)(CCC)C2)cc1 742970324 ZBQDYPOHYJDFSK-LJQANCHMSA-N 299.414 3.741 30 20 CHED C[C@@H](CN(C)[C@@H](C#N)c1ccccc1)c1ccccc1 595304748 GFKHZHZPPHSAOU-YJBOKZPZSA-N 264.372 3.987 30 20 CHED CCC(C#N)(CC)c1nc([C@H](C)c2cccc(OC)c2)no1 599127931 QUJXMNRCJISWNE-GFCCVEGCSA-N 299.374 3.811 30 20 CHED Fc1ccc(F)c2c1CCC2=NNc1ccc(Cl)nc1 749622507 YWIDIHJUJKKCSN-UHFFFAOYSA-N 293.704 3.776 30 20 CHED CCC[C@@H](C)C(CC)=NNC(=S)Nc1cccnc1 748245087 VONBELRTFQPSNU-LLVKDONJSA-N 278.425 3.570 30 20 CHED C[C@H]1Cc2cc(NCc3ccc(C#N)s3)ccc2O1 846748600 CAWFGMTWDWMJPF-JTQLQIEISA-N 270.357 3.555 30 20 CHED N#CCCNCc1cn(Cc2ccccc2)c2ccccc12 743714610 HMKHPLYGVSUXLK-UHFFFAOYSA-N 289.382 3.693 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@H](C)C(C)(C)C 685442335 FQGJYONTLDGBAS-AWEZNQCLSA-N 279.424 3.832 30 20 CHED C=CCC[C@@H](NC1CCN(OCC)CC1)c1ccccc1 925581398 YZOCFHTVELOXSN-GOSISDBHSA-N 288.435 3.699 30 20 CHED C=CCN(C(=O)NCC1CCC(C)(C)CC1)C(C)C 759682407 GNYFOZZBRNQYML-UHFFFAOYSA-N 266.429 3.809 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C\c2ccsc2)C1 855441301 ZKGZZYJPEFFTMZ-FWWRYZNZSA-N 261.390 3.576 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1cc(F)ccc1O 757468169 OSLSMNZKSHPSMW-GQCTYLIASA-N 278.229 3.706 30 20 CHED C#C[C@H](CC)NC(=O)c1cc2c3ccccc3n(C)c2s1 754353891 FDWFOFUTQHNHAG-LLVKDONJSA-N 296.395 3.535 30 20 CHED O=C(C(=NN=CC1CC1)c1ccccc1)c1ccccc1 755467804 NPXSRZIXUVFYAA-UHFFFAOYSA-N 276.339 3.754 30 20 CHED CCOc1ccc(/C=N\Cc2ccc(C)cc2)c(O)c1 920943079 POMDCAQKBKLXAD-PDGQHHTCSA-N 269.344 3.718 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 755293965 XREQLJOQSYRNNN-CZUORRHYSA-N 272.392 3.868 30 20 CHED COc1cccc(C(=O)OCCCCC(C)(C)C#N)c1C 850209736 MFMSPKFFYZFBDN-UHFFFAOYSA-N 289.375 3.881 30 20 CHED CC(=NN=Cc1cc(Cl)ccc1Cl)c1cnccn1 753709110 MMWKXTGTINDFGD-UHFFFAOYSA-N 293.157 3.627 30 20 CHED C#C[C@H](CC)NC(=O)c1cc2c(Cl)cccc2s1 754373493 OAODMTIHCZEPND-SECBINFHSA-N 277.776 3.696 30 20 CHED Cc1nnc(-c2cccc(N[C@H](C)CC(C)(C)C#N)c2)n1C 926101792 RLCFGNXABIBFAQ-GFCCVEGCSA-N 297.406 3.531 30 20 CHED CCSc1ccccc1CCN[C@H]1CC[C@@H](C#N)C1 926920527 RAZBATYOUILCPM-HIFRSBDPSA-N 274.433 3.623 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc2nc(O)[nH]c2c1 750946001 LDYHFCRHRQTFTF-UHFFFAOYSA-N 298.321 3.552 30 20 CHED C=C[C@H](OC(=O)[C@@H]1CCC[C@@H](OC)C1)c1ccccc1 851452091 OKLAVVMRKLQPON-OAGGEKHMSA-N 274.360 3.662 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cc(C)c(F)c(C)c1 755821095 AUWKJBZTEQJGJE-CQSZACIVSA-N 265.328 3.710 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccc(CC(C)C)cc1 755701934 ZIVLDJRKSBWOPE-KTKRTIGZSA-N 282.387 3.823 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)O[C@@H](C)CC(C)(C)C#N 851210831 YLFUQYLNZBURNN-KGLIPLIRSA-N 283.412 3.699 30 20 CHED COc1ccccc1CON=C(C)c1sc(C)nc1C 759636239 FZPMLJCMTMEBLZ-UHFFFAOYSA-N 290.388 3.709 30 20 CHED N#Cc1ccc(N(C(=O)C2(F)CCCC2)C2CCC2)cc1 857675864 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HYRBDJPCHBRCQF-CQSZACIVSA-N 299.395 3.904 30 20 CHED C=CCNC(=S)NCCc1ccc(-c2ccccc2)cc1 764512482 IDIRWBNBFQPIIX-UHFFFAOYSA-N 296.439 3.546 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 767043041 INTYHSUCEGUCGF-CQSZACIVSA-N 283.415 3.792 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(Cl)cc1F 860198163 OOQMDZJXGLAUBP-UHFFFAOYSA-N 283.730 3.852 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccc(F)c([N+](=O)[O-])c1 769828987 NDPHQDIAWAOBBB-NSHDSACASA-N 279.315 3.958 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCc1cccc2ccccc12 865077652 GYMYBCVTLKSEBB-SFHVURJKSA-N 280.371 3.581 30 20 CHED CC(=NNc1cccc(F)c1Cl)[C@H]1C[C@H]2CC[C@H]1O2 863158867 VGRDCLFWCIHDBT-GIPNMCIBSA-N 282.746 3.834 30 20 CHED Cc1cccc(NN=C2C[C@H](C)c3ccccc32)n1 863160237 WCWRIFPKMRARSD-NSHDSACASA-N 251.333 3.713 30 20 CHED COc1nc2ccccc2cc1/C=C/C(=O)c1ccco1 764107196 KFFQPISRCWTNAL-CMDGGOBGSA-N 279.295 3.733 30 20 CHED C#CC[C@H](Nc1nc2ccccc2[nH]1)c1ccccc1 762552173 IDQYRMQRUDLIMU-AWEZNQCLSA-N 261.328 3.739 30 20 CHED COCC[C@@H](NCCCCC1(C#N)CCC1)c1ccco1 1119733209 ZKMMDLKJOYVSIY-OAHLLOKOSA-N 290.407 3.811 30 20 CHED CC(=O)[C@@](C#N)(CCN1CC(C)(C)C[C@H]1C)c1ccccc1 878712520 YYCOEHCBSDHFQA-BEFAXECRSA-N 298.430 3.547 30 20 CHED C=CCC1(C(=O)Nc2cc(F)c(F)c(F)c2F)CCC1 871267897 CSCQIMZFRYCYIT-UHFFFAOYSA-N 287.256 3.928 30 20 CHED C#CCCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 775293305 QRTRYRUMRJCZMK-SFHVURJKSA-N 285.337 3.862 30 20 CHED COc1cc(OC)c(NC[C@@H](C)CCC#N)cc1Cl 876818660 WQRNFJBRRWSQFY-JTQLQIEISA-N 282.771 3.709 30 20 CHED Cc1ccc(N=C2NN=C(CC3CC3)CS2)c(C)c1 776244630 UHVLURZECQVOHU-UHFFFAOYSA-N 273.405 3.783 30 20 CHED Clc1ccnc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 777905149 CFJFROODGGPUMS-IXOXFDKPSA-N 275.783 3.959 30 20 CHED C#CCN(CC1CC1)C(=O)[C@H](C)CCCc1ccccc1 1116473744 TUPJDMUKPLNOAD-MRXNPFEDSA-N 283.415 3.517 30 20 CHED O=C(/C=C/c1ccccc1C1CC1)c1cscn1 776192022 LRNVHARKBCMXOW-BQYQJAHWSA-N 255.342 3.917 30 20 CHED C=C(CC)CN(CC(C)C)C[C@@H](O)c1ccc(F)cc1 773428231 YAPHVNSDXZAVEA-QGZVFWFLSA-N 279.399 3.783 30 20 CHED Cc1ccc(COC(=O)c2ccc(C#N)s2)c(Cl)c1 773444761 ZUKMLTKPNNREPQ-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C#CCCCCCC(=O)N1CCC(c2ccccc2)CC1 779772791 SJUPFFOLQKOEHJ-UHFFFAOYSA-N 283.415 3.976 30 20 CHED C=CCCOCCCCC(=O)N[C@H](C)c1ccc(C)s1 775670542 KZZHVHLFGXCPQX-CQSZACIVSA-N 295.448 3.997 30 20 CHED C=C[C@H](CC)OC(=O)Cc1c[nH]c2ccc(Cl)cc12 776100749 KXSGGLUMEVBHQB-GFCCVEGCSA-N 277.751 3.872 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)Cc2ccccc2CC#N)[C@@H]1C 779373012 VBQWXJXNFZKLLE-CKEIUWERSA-N 285.387 3.663 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)C1(C#N)CCC1 1116095555 PNBAASQDMNSEOD-RBSFLKMASA-N 276.424 3.505 30 20 CHED C=CCC[C@H](C(=O)OCC(=O)CC(C)C)c1ccccc1 778559203 LPIKCVHUDMDRPD-KRWDZBQOSA-N 288.387 3.895 30 20 CHED N#CC1(COC(=O)C2(c3cccs3)CCCCC2)CC1 775858800 CFJNGLFKBGHIHY-UHFFFAOYSA-N 289.400 3.797 30 20 CHED C#CC[C@H](NC(=O)N(CC1CCC1)C(C)C)c1ccccc1 770763413 OLCLXDHOLGQUFJ-SFHVURJKSA-N 298.430 3.971 30 20 CHED N#CC1(CCOC(=O)c2cnc3cc[nH]c3c2)CCCCC1 884634165 RAAQKBRPVLGFJV-UHFFFAOYSA-N 297.358 3.584 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)CCc1ccc(C#N)cc1 1129318516 XQSSAOQYMPGYKU-QZTJIDSGSA-N 298.430 3.823 30 20 CHED FC(F)(F)CCON=Cc1ccccc1C1CC1 777458457 IBUNPZOLJANKMD-UHFFFAOYSA-N 257.255 3.867 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OCC(F)F)cc1 779925963 OOHSSTPVSXTWRO-UHFFFAOYSA-N 295.329 3.853 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F 776256581 FISFVWAGYIHHQT-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CCCCCCCCCC(=O)N1CCc2ncncc2C1 883030886 ANKVQOYWQLWVSW-UHFFFAOYSA-N 289.423 3.502 30 20 CHED COc1cc(NN=C(C)C[C@H]2CCOC2)ccc1Cl 788467287 IOKCKGGVOPTVNK-LLVKDONJSA-N 282.771 3.563 30 20 CHED Cc1cc(C(=O)OCCCC(C)(C)C#N)cc(C)c1F 784452351 COWQPRRDTBXFAA-UHFFFAOYSA-N 277.339 3.929 30 20 CHED CC[C@H](CC#N)OC(=O)c1c2c(nc3ccccc13)CCC2 787088728 VBOXIVQEPQOVPQ-GFCCVEGCSA-N 294.354 3.573 30 20 CHED C[C@@H](CC(=O)OC1(C#N)CCC1)c1c[nH]c2ccccc12 786460953 YEOPIFKGJRCZHM-LBPRGKRZSA-N 282.343 3.651 30 20 CHED C=C(Cl)CNC(=O)C(C)(C)c1ccc(Cl)cc1F 789773479 DEOZFODTDBABRK-UHFFFAOYSA-N 290.165 3.625 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@@H](CC)SC 783874024 SXTJOKBJGVRWMX-OAHLLOKOSA-N 293.432 3.665 30 20 CHED COc1cccc(C=Nc2cccc3c2OC(C)(C)C3)c1O 788674623 MLRQVFQKNVKRDO-UHFFFAOYSA-N 297.354 3.865 30 20 CHED CC(C)c1nc(C#N)c(NN=CC(C(C)C)C(C)C)o1 789000714 OYONOUPKVOVLMZ-UHFFFAOYSA-N 276.384 3.996 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1O 788803396 SKYSRIVGFSCEQO-JTQLQIEISA-N 298.308 3.755 30 20 CHED C=C(C)CCC(=O)N1CC[C@H]1c1ccc(Cl)cc1 1120641239 POWQNFMWLBOMJM-AWEZNQCLSA-N 263.768 3.970 30 20 CHED CC(=NNc1cccc2ccccc12)c1nccnc1C 783513460 RUXMVNPFTPQZAV-UHFFFAOYSA-N 276.343 3.774 30 20 CHED N#CCOc1cc(F)ccc1NCc1cc2ccccc2[nH]1 789749759 WNCDDYWPKKCSBZ-UHFFFAOYSA-N 295.317 3.821 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C\c1cccnc1)C2=O 788736776 VNQAXCJLUYPMCV-SXGWCWSVSA-N 279.339 3.648 30 20 CHED C#Cc1cccc(NC(=O)N2CCCC3(CCCC3)C2)c1 782696059 MOQOSLIFOMACCO-UHFFFAOYSA-N 282.387 3.856 30 20 CHED N#CCCCNC(=S)Nc1ccccc1-c1ccccc1 783758659 ZAIMLPSQSWGMGR-UHFFFAOYSA-N 295.411 3.944 30 20 CHED CCCCCC[C@H](CC)C(=O)NCC(C)(C)C#N 782098734 NKWRIBZJTGPRBK-ZDUSSCGKSA-N 252.402 3.649 30 20 CHED N#Cc1cc(NC(=O)/C=C\c2ccsc2)ccc1Cl 787142189 XXKQIPIAZOJRQS-RJRFIUFISA-N 288.759 3.925 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1[C@@H](C)CCC 780653349 GDUYFNNUFGNDJQ-JKSUJKDBSA-N 263.425 3.997 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)Cc2cc(F)ccc21 782324979 JIBSSXNTOHSKGE-XFFZJAGNSA-N 285.343 3.982 30 20 CHED CCC(Cc1ccc(C)cc1)=NN[C@@H](CO)c1ccccc1 788462608 YNGDGOVTSHQZIY-IBGZPJMESA-N 296.414 3.627 30 20 CHED CC(C)(C#N)CCCOc1cc(Cl)ccc1[N+](=O)[O-] 87609044 SZFHJNHWWCOEMC-UHFFFAOYSA-N 282.727 3.957 30 20 CHED CC[C@@H](CC#N)OC(=O)c1oc2ccc(OC)cc2c1C 787088496 NCZJSWUOTLCNHQ-NSHDSACASA-N 287.315 3.599 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2csc(Br)c2)C1 274213823 ODOZEFAREVMLRI-MWLCHTKSSA-N 299.237 3.683 30 20 CHED N#CCN(Cc1ccc(-c2ccccc2)cc1)C1CC1 511960504 LOADBMGBBZLIIU-UHFFFAOYSA-N 262.356 3.842 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2ccc(CC#N)cc2)C1(C)C 893575915 LGQALWJXKOMMDU-HOTGVXAUSA-N 272.392 3.757 30 20 CHED CCC1(CC)CN(CCC(C)(C)C#N)CCS1 546630664 NEGXCCVKQKQGFR-UHFFFAOYSA-N 254.443 3.534 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2ccccn2)cc1Cl 558954388 SJDIJCKZIOZOSJ-MRXNPFEDSA-N 283.762 3.948 30 20 CHED Fc1cccnc1NN=C1CC[C@H]2CCCC[C@H]2C1 794994035 RGNVWNNJNBNZRL-NEPJUHHUSA-N 261.344 3.979 30 20 CHED Cc1cc(C)c(COC(=O)c2cc(C#N)oc2C)c(F)c1 797963457 OMPHIBCJYMIZLC-UHFFFAOYSA-N 287.290 3.573 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1cc(C)on1 790298575 MDEDMOIKXYOKSW-INIZCTEOSA-N 285.391 3.564 30 20 CHED C#C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(C)C 799048495 LZDIFSMBFXMQIJ-CQSZACIVSA-N 298.213 3.700 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNCc2ccccc2N(C)C)o1 794956324 HCUNFNQPWOLATI-XJKSGUPXSA-N 297.402 3.593 30 20 CHED CC[C@H](C)CON=Cc1c(C)nn(C(C)(C)C)c1C 793144583 DTVCZHZCRLQHSZ-NSHDSACASA-N 265.401 3.652 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CSc2ccccc21 83748559 JRTLGAGMVAMJRZ-AWEZNQCLSA-N 270.332 3.956 30 20 CHED C[C@@H](COc1ccccc1)Nc1ccc(C#N)cc1F 699342273 JAPPVIFAJBNDQH-LBPRGKRZSA-N 270.307 3.577 30 20 CHED COCCN(CCC1(C#N)CCCCC1)[C@@H]1CC[C@@H](C)C1 1307737770 WYKXIMOLALIHCV-IAGOWNOFSA-N 292.467 3.988 30 20 CHED C[C@H](NCc1cc2cnccc2o1)c1cccc(C#N)c1 1308520346 YFMSAMCHVWLSLM-LBPRGKRZSA-N 277.327 3.550 30 20 CHED C=CCCCCCCNC(=O)N1CCCC[C@@H]1C 806003768 YXGYXSMCDMMHAF-AWEZNQCLSA-N 252.402 3.707 30 20 CHED Cc1cc(OCc2ccc(F)cc2C)ccc1C#N 1613749824 FGLBAAVCNFASES-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CSc1ccccc1C(C)=NNc1cc(C)ccn1 1321668688 QDSHYMSBVTYIRP-UHFFFAOYSA-N 271.389 3.948 30 20 CHED N#Cc1cc(C(=O)OC[C@@H]2CCCCC2(F)F)cs1 1324701895 GIQIYDAASMTATG-JTQLQIEISA-N 285.315 3.602 30 20 CHED CCCC[C@@](C)(F)C(=O)OCCCC1(C#N)CCOCC1 1327178283 PFKUQMSKRNXNNH-OAHLLOKOSA-N 299.386 3.549 30 20 CHED CCc1cc2c(N(CC)C[C@@H](C)C#N)nc(C)nc2s1 1185583743 LKXBQBSJUGCDCD-JTQLQIEISA-N 288.420 3.548 30 20 CHED N#Cc1ccc(COc2cccc(NC(=O)C3CC3)c2)s1 1334027112 XHNNZVBDKFYARR-UHFFFAOYSA-N 298.367 3.547 30 20 CHED CC(C)(C#N)c1nnc(-c2ccc3ccccc3c2)o1 1255978082 KDBCGOHATRVQGA-UHFFFAOYSA-N 263.300 3.691 30 20 CHED N#Cc1ccc(NN=C2CC[C@@H](Cc3ccccc3)C2)nc1 1330908804 AVBFZRYPQYWMLW-HNNXBMFYSA-N 290.370 3.764 30 20 CHED N#C[C@@H](c1ccccc1)N1CCCC2(CCCC2)C1 1193517946 ZYEZERGLJQMYSR-INIZCTEOSA-N 254.377 3.907 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2-c2nccs2)o1 1192684457 XWZAGPBKIAHAMZ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@@](C)(CC)C1 1342743947 RXPKGTSSSKENKE-OAHLLOKOSA-N 298.381 3.808 30 20 CHED COC1(C(=O)O[C@H](C)CC(C)(C)C#N)CCCCCC1 1345423964 YCMRZADOOXXNFZ-CYBMUJFWSA-N 281.396 3.597 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1c(F)cccc1F 1345107119 BYLPMFNMPMSTDB-NSHDSACASA-N 280.318 3.927 30 20 CHED C=C[C@H](C(=O)N1CCC[C@H]1c1ccncc1)c1ccccc1 1347290729 PRUSHUDAFJHVBD-ROUUACIJSA-N 292.382 3.715 30 20 CHED COc1cc(OCCCCC2(C#N)CCC2)ccc1C=O 1345091100 QROWYPJXGGDESV-UHFFFAOYSA-N 287.359 3.751 30 20 CHED N#C[C@@H](C(=O)CCC1CCCCC1)c1cccc(F)n1 1524705140 NWXQBPBVJGZTFG-CYBMUJFWSA-N 274.339 3.757 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 1529884357 GLDWCRKWZUIOIH-WBMJQRKESA-N 288.366 3.786 30 20 CHED Cc1nc(N2CCC(C)(CC(C)C)CC2)ccc1C#N 1458418095 ZYRHEXDFTLXFOO-UHFFFAOYSA-N 271.408 3.914 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)O 1602842651 QGURKGYJSSOEBI-GZMMTYOYSA-N 288.174 3.673 30 20 CHED Cc1cc(N2CCc3ccc(C#N)cc32)nc(C2CCC2)n1 1472749016 JSRWFUDEFQCFPI-UHFFFAOYSA-N 290.370 3.618 30 20 CHED COc1ccc(CN(CCC(C)C)C2CC2)cc1C#N 116153898 MTTRYQGGQSVWGO-UHFFFAOYSA-N 272.392 3.577 30 20 CHED N#Cc1cc(Cl)c(C(=O)N2C3CCC2CC3)c(Cl)c1 1540666457 GXFBMPVJYQPGCI-UHFFFAOYSA-N 295.169 3.632 30 20 CHED CC[C@@H](C#N)C(=O)NCC1(c2cccc(C)c2)CCCCC1 1544360263 YKIRFQFIVNYZAI-INIZCTEOSA-N 298.430 3.863 30 20 CHED CN(CC1CCCCC1)c1nc(C#N)c(Cl)s1 1639238534 ANGVTIKOOCLQMN-UHFFFAOYSA-N 269.801 3.685 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)cc1 1639474629 PHKCAFQPDSSMGL-NVGVWMPQSA-N 297.789 3.838 30 20 CHED CC(C)CN(CCC#N)CC[C@@H]1CCc2ccccc21 1652546952 RXBJRKVRBVOXCM-KRWDZBQOSA-N 270.420 3.978 30 20 CHED C=C[C@@H](N[C@@](C)(Cc1ccc(Cl)cc1)C(C)C)C(=O)O 1588693238 UNHDSCJIRFZWKZ-ZBFHGGJFSA-N 295.810 3.526 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cc(C(=O)O)cs1)c1ccccc1 1588421805 OKSPZWSCLFECRL-SWLSCSKDSA-N 299.395 3.862 30 20 CHED CCCC[C@H](S[C@H](C)c1ccc(C#N)cc1)C(=O)O 1595651244 DLWKOGDQFOPPHU-RISCZKNCSA-N 277.389 3.996 30 20 CHED CC(C)(C#N)CCCCOc1cccc([N+](=O)[O-])c1 232521691 DZRLMOVOSJROKB-UHFFFAOYSA-N 262.309 3.694 30 20 CHED C[C@H]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1(C)C 1673773680 SCKMENQOOHWMIL-NSHDSACASA-N 289.354 3.597 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)Nc1cc(F)cc(C#N)c1 1672410570 QQUFTUBVMCDXGV-UHFFFAOYSA-N 291.370 3.891 30 20 CHED C=CC[C@]1(C(=O)O)CCN(Cc2cccc(Cl)c2C)C1 1776162498 KOGAWJITZCMAQS-INIZCTEOSA-N 293.794 3.501 30 20 CHED Cc1cc(C)c2c(c1)CCC2=NNc1ccc(C(=O)O)cc1 1776013040 DUOKJHPKYNPUQE-UHFFFAOYSA-N 294.354 3.764 30 20 CHED C=CCc1cccc(CN2CC3(CCCC3)C[C@@H]2C(=O)O)c1 1776187479 YFHPQRNKRWCTQM-QGZVFWFLSA-N 299.414 3.634 30 20 CHED O=C(O)c1cccc(NN=Cc2cccc(C(F)F)c2)c1 1776038656 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IFNVMIQEHAWKFX-ZDUSSCGKSA-N 276.424 3.791 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C1CC=CC1 279306358 CEUDOKQHCYUHLN-UHFFFAOYSA-N 255.361 3.558 30 20 CHED N#Cc1c(Cl)nsc1N(Cc1ccccc1)C1CC1 301506036 GUVQMHRTIQGOSI-UHFFFAOYSA-N 289.791 3.837 30 20 CHED C=CCN(CC=C)Cc1cccc(Br)c1 302816418 WAKDZLZDILHOHK-UHFFFAOYSA-N 266.182 3.623 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(F)c(C#N)c1 308094238 XRYIQOOMTRWWEP-NSHDSACASA-N 262.328 3.708 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2CCCC23CCOCC3)c1 308122260 NFGCGUQKPLSMLX-MRXNPFEDSA-N 270.376 3.628 30 20 CHED CC(C)(C)CC(=O)Nc1ccc(C#N)c(Br)c1 310200776 BQGOIQLFQPUELF-UHFFFAOYSA-N 295.180 3.695 30 20 CHED Cc1ccc(C(C)C)cc1Oc1ccnc(C#N)n1 312127015 ZVPVKGZJQWKEPW-UHFFFAOYSA-N 253.305 3.572 30 20 CHED N#Cc1ccc(F)c(CNCc2ccsc2Cl)c1 312785833 VENASHLFGIUXOC-UHFFFAOYSA-N 280.755 3.702 30 20 CHED CCc1ccc(CNc2cccc(CC#N)c2)s1 313448634 NPRZZFNLFZONDP-UHFFFAOYSA-N 256.374 3.989 30 20 CHED N#CCc1cccc(NC(=O)c2ccccc2Cl)c1 313442901 KEBKSHWPHNJCBR-UHFFFAOYSA-N 270.719 3.658 30 20 CHED Cc1nsc(NCC2CCC(F)(F)CC2)c1C#N 343156603 ZNXLYPCQOGQQEI-UHFFFAOYSA-N 271.336 3.561 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2ccc(C#N)cc2F)CCO1 487119321 MTKYXNDRDMUJOK-SWLSCSKDSA-N 276.355 3.703 30 20 CHED C#CCN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C 796638587 BDUYTUCQHGRCOC-UHFFFAOYSA-N 294.354 3.539 30 20 CHED CC(C)(C)c1ncc(CN2CCCC(C)(C)[C@@H]2C#N)s1 446978709 YTENFPJABGQVRX-ZDUSSCGKSA-N 291.464 3.955 30 20 CHED CC[C@@H](CC(C)C)C(=O)N1CCc2cc(C#N)ccc21 416019702 YREJHVXVVWVSSP-AWEZNQCLSA-N 270.376 3.520 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1 55639131 JLSKXELPAXCTMQ-CYBMUJFWSA-N 294.354 3.988 30 20 CHED C=CCCC(=O)Nc1cc(NC(=O)CC)ccc1Cl 102232387 XLSSBFDCACNRRC-UHFFFAOYSA-N 280.755 3.593 30 20 CHED N#Cc1ccccc1SCc1c(F)cccc1[N+](=O)[O-] 172680598 KTZVAZIPJYLRQT-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(C(F)(F)F)c1 116996284 NUXRJGNLHFUZNS-SECBINFHSA-N 272.270 3.792 30 20 CHED N#CCN(Cc1cc2ccccc2o1)C1CCCC1 178538315 RHYWKLHYKJWYBP-UHFFFAOYSA-N 254.333 3.701 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 119328320 IDFXMHYJXUFRCE-VXGBXAGGSA-N 273.355 3.545 30 20 CHED CC(C)[C@H](C)NC(=O)CS[C@H](C)c1ccc(C#N)cc1 118445688 NGZVFNKQUHMBID-QWHCGFSZSA-N 290.432 3.513 30 20 CHED CCN(C[C@@H](O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 60477393 HXVQPBXAKRQKOL-HNAYVOBHSA-N 294.398 3.675 30 20 CHED CN(CCOc1ccccc1)c1ccc(C#N)c(Cl)c1 110676158 PHTPCRJMLFPTPA-UHFFFAOYSA-N 286.762 3.727 30 20 CHED Cc1csc(-c2ccc(OC[C@H](C#N)CCC#N)cc2)n1 119317839 LEYDAWCSBQJQKN-ZDUSSCGKSA-N 297.383 3.941 30 20 CHED Cc1ccc(-c2ocnc2C(=O)OCC2(CC#N)CC2)cc1 174733793 UPGJPSOFTHSOQL-UHFFFAOYSA-N 296.326 3.501 30 20 CHED N#CCCCOc1cccc(CNc2ccccc2)c1 174285869 AXYBHUPMDFMGPX-UHFFFAOYSA-N 266.344 3.981 30 20 CHED C=CCc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 29124395 QQRLLAIZAAMQFT-UHFFFAOYSA-N 298.338 3.652 30 20 CHED Cc1nc2c(s1)[C@H](N(C)Cc1ccccc1C#N)CCC2 111311863 MSKTZMUELWAZMN-MRXNPFEDSA-N 297.427 3.833 30 20 CHED C[C@@H]1CCC[C@H](N(C)c2nc(Cl)c(C#N)s2)C1 310461681 AXILBICQWCIJOB-BDAKNGLRSA-N 269.801 3.683 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccccn1 66801815 SPCHPUCRJRFTMM-GFCCVEGCSA-N 297.383 3.728 30 20 CHED C[C@H](Nc1cc(Cl)ccc1C#N)C(C)(C)CN(C)C 301649640 RHCYQHHXAVVDRJ-NSHDSACASA-N 279.815 3.600 30 20 CHED N#C[C@@H](Sc1nnc(NC2CC2)s1)C1CCCCC1 115186274 ZTJXAZAQOKEQHT-LLVKDONJSA-N 294.449 3.677 30 20 CHED CC(C)c1ncc(CNc2ccc(CC#N)cc2)s1 353000478 KKYQYEJICPAVHR-UHFFFAOYSA-N 271.389 3.945 30 20 CHED Cc1cc(C)cc(CCNc2snc(Cl)c2C#N)c1 301355370 MWTNMGAXUQCRFZ-UHFFFAOYSA-N 291.807 3.940 30 20 CHED Cc1ccc(CCCC(=O)N(CCC#N)CC2CC2)s1 176043371 LFRBXSLAJWOHNB-UHFFFAOYSA-N 290.432 3.532 30 20 CHED C=C(Cl)C[S@@](=O)Cc1c(C)cc(C)cc1C 67224444 CEQUXMOVZTWSAS-INIZCTEOSA-N 256.798 3.613 30 20 CHED CC(=O)c1ccc(CNc2cc(Cl)ccc2C#N)nc1C 302057088 QUPZGOHPPFGSOA-UHFFFAOYSA-N 299.761 3.730 30 20 CHED CC(C)Oc1cccc([C@H](C)NCCCSCC#N)c1 179683028 XRWKFKIEDKIPNU-AWEZNQCLSA-N 292.448 3.771 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 175158595 SVTFDRFTIDQVAQ-AZUAARDMSA-N 287.362 3.511 30 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CHED CN(CCCSCC#N)Cc1csc2ccccc12 74981664 TWEMFJSJZDDJKZ-UHFFFAOYSA-N 290.457 3.980 30 20 CHED C=CCOc1cccc(CN(C)Cc2cccc(OC)c2)c1 505664128 RJINNZHSFNMGDV-UHFFFAOYSA-N 297.398 3.892 30 20 CHED CCOc1ccc(NC(=O)c2cccc(F)c2C#N)c(C)c1 186976246 FJBOXMFJFPUXPS-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CC(C)(C#N)CCCSCCC1CCOCC1 419484879 XKYHZISDQSHCDF-UHFFFAOYSA-N 255.427 3.866 30 20 CHED CC#CCCCC(=O)N1CCSc2ccc(Cl)cc21 185280482 VBPGRQIQPJSJCN-UHFFFAOYSA-N 293.819 3.972 30 20 CHED C=C(C)CN(C)C(=O)c1cncc(-c2ccc(C)cc2)c1 180450091 ASVWQEYEVRXLIA-UHFFFAOYSA-N 280.371 3.705 30 20 CHED CCCCCCNc1nc(C(F)(F)F)ccc1C#N 78832269 RJJJRHIACSRFMS-UHFFFAOYSA-N 271.286 3.964 30 20 CHED CCOc1cc(C)ccc1NCc1ccccc1C#N 79180546 WGHBCZSARQWSON-UHFFFAOYSA-N 266.344 3.878 30 20 CHED Cc1ccc(/C=C/c2nc(S[C@H](C)CCC#N)n[nH]2)o1 412985747 GGPVZNBDTYZNLD-WSKFYRRCSA-N 288.376 3.661 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1cccc(OC)c1 188540143 RCWICUIKRUNSIH-GOSISDBHSA-N 289.419 3.691 30 20 CHED CCc1nc(CN[C@H](CCC#N)c2ccccc2)cs1 130436495 VLAPJKKKNBNMEX-OAHLLOKOSA-N 285.416 3.840 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc3ncccc23)C1 185888492 GALXGAALMMLPMR-STQMWFEESA-N 251.333 3.729 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1cc(C)ccc1C 45517009 PNJDKLTUHHABCT-UHFFFAOYSA-N 278.355 3.842 30 20 CHED C=CCN(C(=O)c1cccc(C#N)c1C)c1ccccc1 509148487 AFYJQWKYVCZMIP-UHFFFAOYSA-N 276.339 3.700 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccnn1C(C)(C)C 190513743 JSTUHRPJOOZHCP-GFCCVEGCSA-N 278.400 3.504 30 20 CHED COc1cccc(C/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 328723442 YBXMVQPUEVOFML-GZBFAFLISA-N 288.391 3.558 30 20 CHED N#CCN(C(=O)Cc1ccc(Cl)s1)c1ccccc1 193522428 FPYQDAXVCCDHMN-UHFFFAOYSA-N 290.775 3.501 30 20 CHED C[C@@H]1CCC[C@H]1/N=C(/O)c1coc(C2CCCC2)n1 328659494 SVRVOFFHTOFEOD-ZYHUDNBSSA-N 262.353 3.825 30 20 CHED O/C(=N/C1CCC2(CCCCC2)CC1)Nc1cncnc1 329914843 YAJHLFDHPWWPAV-UHFFFAOYSA-N 288.395 3.696 30 20 CHED Cc1nsc(NCc2ccc(OC(F)F)cc2)c1C#N 339976555 UXTOUXKJXVNQRO-UHFFFAOYSA-N 295.314 3.537 30 20 CHED CC(C)Sc1ccccc1NC(=O)N(C)CCC#N 135419264 HAZJYTHUZNGHKF-UHFFFAOYSA-N 277.393 3.564 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)Cc1cccs1 613540852 AJTKVAVMXLRXDL-NSHDSACASA-N 272.373 3.671 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)CCC1CC1 329306498 XXJZZUJTHCMBPI-BXUZGUMPSA-N 266.385 3.667 30 20 CHED N#CCC[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 130563095 HZGZRAKHPQBPAJ-KRWDZBQOSA-N 295.342 3.729 30 20 CHED C[C@@H](N[C@H]1CCCc2occc21)c1ccc(OCC#N)cc1 192955812 WWFDKLUPKHUWLX-DYVFJYSZSA-N 296.370 3.910 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(C)(F)F)cc1 512097343 CVYFCSZUGWFXBZ-ZDUSSCGKSA-N 267.319 3.883 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(C#N)cs1 84073015 KGRGMTSMHDAQFW-SNVBAGLBSA-N 288.347 3.592 30 20 CHED CCCNc1ccc(CNCc2ccc(C#N)cc2)cc1 193155705 AKGCUURGOFXWMF-UHFFFAOYSA-N 279.387 3.670 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2ccccc2CC#N)C1 330830814 IVTZURCGUJBZQC-QWHCGFSZSA-N 256.349 3.517 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 334436661 QGPSXQMGWREJMX-IBGZPJMESA-N 287.366 3.597 30 20 CHED CCOc1cc(C#N)ccc1OCc1cccc(C#N)c1F 336867180 ZOOINZXWLOSSIH-UHFFFAOYSA-N 296.301 3.547 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)c2cnc(C(C)(C)C)s2)o1 330721835 XOERBZBLWXNLKW-SECBINFHSA-N 293.392 3.803 30 20 CHED CC1(C)CCCC[C@@H]1Nc1ccc(OCC#N)cc1 94274642 ZMYZKXRHNHCLPR-HNNXBMFYSA-N 258.365 3.970 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCC(F)(F)F 427746360 FUKZPZSWZPPATP-PWSUYJOCSA-N 265.319 3.826 30 20 CHED Cc1ccccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 335666727 VRCHARABUWUFNB-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED N#Cc1c(Cl)cccc1N1CC[C@@H](c2cccnc2)C1 335397681 PRPBWKZODJCROC-CYBMUJFWSA-N 283.762 3.601 30 20 CHED CCc1oc2ccccc2c1CNCCCCC#N 237090030 JGEZYYGZRSYDRC-UHFFFAOYSA-N 256.349 3.779 30 20 CHED CC(C)(C)C1=CCN(Cc2cccc(C#N)c2)CC1 534660021 OBGLKQOFRSRBKH-UHFFFAOYSA-N 254.377 3.736 30 20 CHED CSc1cccc(/C(O)=N/[C@@H]2CCC[C@@H]2C)c1[N+](=O)[O-] 330370643 FYHOAUPCVUIXPX-GXSJLCMTSA-N 294.376 3.810 30 20 CHED CC(C)n1ccnc1Sc1nccc(C#N)c1Cl 335827659 YMJPBTBBOGOCNZ-UHFFFAOYSA-N 278.768 3.535 30 20 CHED Cc1cc(F)cc2c1CN(Cc1cc(F)ccc1C#N)CC2 337450858 KREXQVYZDOUKJR-UHFFFAOYSA-N 298.336 3.703 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](C3CCCC3)C2)c1 333836463 KGVBHWCSHAOVEA-MRXNPFEDSA-N 297.402 3.911 30 20 CHED CC(C)(C#N)CC(=O)N1CCC(C)(c2ccccc2)CC1 336376293 LJRQSMILMNHDIS-UHFFFAOYSA-N 284.403 3.507 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2ccc(F)cc2C#N)c1 433969036 YAZRTPBJQIEEPK-LBPRGKRZSA-N 282.318 3.748 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)N[C@@H](CCC#N)c1ccccc1 438845732 DJLVRROVKAGRJO-UAGQMJEPSA-N 299.418 3.861 30 20 CHED CN(CCc1cccs1)c1c(F)cc(C#N)cc1F 90801906 HANYCMJRBWYULD-UHFFFAOYSA-N 278.327 3.577 30 20 CHED CC(C)c1ncsc1/C(O)=N/CC1CCC(C#N)CC1 331341952 SUNXAAXLQUABJN-UHFFFAOYSA-N 291.420 3.901 30 20 CHED Cc1cnccc1SCc1ccc(F)c(C#N)c1 338624727 HLWJNJHBGIACRH-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CN(C(=O)CC1CC(F)(F)C1)c1cc(Cl)ccc1C#N 334562944 XERSORCVSDLVFX-UHFFFAOYSA-N 298.720 3.610 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2C#N)cc1 97472840 RHVLBZGGGAJDDC-GFCCVEGCSA-N 297.333 3.889 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccccc1Cl 435667973 SDYQQNFIAHUYBM-IOASZLSFSA-N 279.811 3.972 30 20 CHED C[C@@H](NCc1ccc2ccccc2n1)c1cccc(C#N)c1 341785681 AHUVXIXRGDEBKM-CQSZACIVSA-N 287.366 3.957 30 20 CHED C[C@@H](C#N)C(=O)N(C1CC1)[C@H](C)c1ccccc1Cl 344059967 QSGZOXTZCUZWAH-WDEREUQCSA-N 276.767 3.552 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(SC2CC2)cc1 341299525 DDSSMTFQTCUETE-LLVKDONJSA-N 261.390 3.636 30 20 CHED C[C@H](C#N)CN(C)[C@H]1CC[C@@](C)(c2ccccc2)C1 437596528 YXQUSVHONXGTNS-HYVNUMGLSA-N 256.393 3.588 30 20 CHED C=CCN(CC=C)C(=S)Nc1ccc(OC)c(Cl)c1 244092901 UEUQJVJHDJMAGX-UHFFFAOYSA-N 296.823 3.719 30 20 CHED C=CCC(C)(C)c1noc(CCCc2csc(C)n2)n1 340806539 WRJZWJIFDZKNPE-UHFFFAOYSA-N 291.420 3.864 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 246186044 KACGIAVYVYSCPW-RCCFBDPRSA-N 281.399 3.599 30 20 CHED C[C@@H]1CCCN(C(C)(C)CN[C@H](C)c2ccc(C#N)cc2)C1 245941055 UZKUSMSEWKCOCV-HZPDHXFCSA-N 299.462 3.719 30 20 CHED C=CC[C@H](C)[C@H](C)NCCc1ccc(F)c(F)c1 527042108 RYYOXDIPGIBMHF-RYUDHWBXSA-N 253.336 3.698 30 20 CHED C=C(C)CCc1noc(C[C@@H](CC#N)c2ccccc2)n1 347245897 OFPSVBDJYYYMQH-OAHLLOKOSA-N 281.359 3.818 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1 437201210 JDTDGWQNNGXISW-LZLYRXPVSA-N 287.403 3.660 30 20 CHED CC/C=C/CCSc1nc(C(=O)OCC)ccc1C#N 341651899 VKDBOBNBOYKUBD-AATRIKPKSA-N 290.388 3.578 30 20 CHED CCCc1cc(C(=O)N2CCC(CC#N)CC2)sc1C 541046866 IULZGAWQRYAYGF-UHFFFAOYSA-N 290.432 3.775 30 20 CHED CC(=Nn1cnnc1)c1ccc(Cl)c(Cl)c1Cl 606347502 YXKHTXICSVHIDK-UHFFFAOYSA-N 289.553 3.511 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2ccc(F)c(F)c2)no1 445452085 OHEDWTWZIIAWEV-SNVBAGLBSA-N 294.301 3.592 30 20 CHED COCc1cccc(/C=C2/Cc3ccc(F)cc3C2=O)c1 254972096 SQQVRJHJCMDUOU-NVNXTCNLSA-N 282.314 3.795 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(-n2nccc2C)cc1 343253835 BCZUDRMAPMRZPD-CQSZACIVSA-N 297.402 3.655 30 20 CHED CC(C)Oc1cc(F)ccc1NC[C@H](C)CCC#N 602590198 IVIFHOMRVSLMBQ-GFCCVEGCSA-N 264.344 3.965 30 20 CHED C=CCN(CC=C)C(=O)/C=C\c1ccc(Cl)s1 255552520 VPHDCQVUHGQMSA-VURMDHGXSA-N 267.781 3.615 30 20 CHED CCCCn1cc(CN[C@H](C)c2ccc(C#N)cc2)c(C)n1 358648416 ABGWBMNYBVHQOM-CQSZACIVSA-N 296.418 3.714 30 20 CHED C=CCCCC(=O)N1CCC(OC2CCCCC2)CC1 359080846 RGQZGDBRPPYVOQ-UHFFFAOYSA-N 279.424 3.683 30 20 CHED C=CCOCCCS[C@@H](C)c1ccc(C#N)cc1 359111529 YCUNTTADNULCHN-ZDUSSCGKSA-N 261.390 3.945 30 20 CHED C=C(CC)CNCc1ccc(OCC)c(OCC)c1 449733517 OWTZOEKJMKGCLY-UHFFFAOYSA-N 263.381 3.540 30 20 CHED C=CCCC1(C(=O)N2CCC(OCCC(C)C)CC2)CC1 354585271 NAWZDNMZIOHNNU-UHFFFAOYSA-N 293.451 3.787 30 20 CHED CCCOc1cccc(C(=O)N[C@@](C)(C#N)CC(C)C)c1 535326904 TYODJXFHBFSNCQ-QGZVFWFLSA-N 288.391 3.534 30 20 CHED N#CC[C@@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 600177754 LVMQYPQSGUYRKJ-JTQLQIEISA-N 288.338 3.893 30 20 CHED C[C@H](CCC#N)CNCCCCOc1ccc(F)cc1 602510777 OCSILPPFBVSPPN-CQSZACIVSA-N 278.371 3.514 30 20 CHED CCOc1cc(/C=C\c2ncccc2C#N)ccc1OC 352019721 DFCURCKBCSMWMF-VURMDHGXSA-N 280.327 3.531 30 20 CHED CC[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1 359999984 JLOMBWRXGUFLFN-RDTXWAMCSA-N 292.382 3.929 30 20 CHED CC(C)(C#N)CC(=O)NCc1ccc(-c2ccccc2)o1 351959703 ZFXWAWGMXSUJRC-UHFFFAOYSA-N 282.343 3.503 30 20 CHED N#Cc1ccc(CN(C#N)c2ccc(F)cc2)c(Cl)c1 440590900 WGVAORYCTWYLSX-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C=CCCCCCN(C)C(=O)CNc1c(C)cccc1C 359362159 AAMIQYAQWYMLLZ-UHFFFAOYSA-N 288.435 3.920 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC1CC(c2ccc(C)cc2)C1 449546754 DPSJBMRKNIGCMD-HIEASXQVSA-N 271.404 3.564 30 20 CHED C=C1CCN(C(=O)CC[C@@H](C)c2ccccc2)CC1 269756674 YDTYGBALIOCQKE-OAHLLOKOSA-N 257.377 3.749 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(-c3ccc(F)cc3)no2)C1 612164882 JSWCOHOOVXMWRZ-KRWDZBQOSA-N 299.349 3.606 30 20 CHED Cc1cccc(CCN(CCC#N)Cc2ccco2)c1 449002403 KREJVYXFIGZWQA-UHFFFAOYSA-N 268.360 3.546 30 20 CHED C[C@]1(C#N)CCCN(Cc2csc(-c3ccoc3)n2)C1 612166021 QVJRPLAZVYFOIS-OAHLLOKOSA-N 287.388 3.529 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O 268531776 FNKHHQJSZHWXEP-HOTGVXAUSA-N 289.419 3.505 30 20 CHED COc1cc(F)cc(CN[C@@H](CCC#N)c2ccccc2)c1 449198809 DLPOAKMICWSNJG-SFHVURJKSA-N 298.361 3.969 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)CCC1 359500332 JXWSMRVUAWEZDN-DLBZAZTESA-N 299.414 3.627 30 20 CHED C[C@@H](NCCc1ccccc1F)c1ccc(C#N)c(F)c1 539602296 CHSNWHIPSADSNB-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C=CCC[C@H](C(=O)NCCC1CSC1)c1ccccc1 616397413 ITVODBWEXDLFJG-INIZCTEOSA-N 289.444 3.606 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CCOC2)cc1 268885598 YXJWOTXUFMYWDG-ZIAGYGMSSA-N 295.810 3.505 30 20 CHED N#Cc1cc(Cl)c(C(=O)NC2CCCC2)c(Cl)c1 611093321 ZBCWLMWWVJZQIU-UHFFFAOYSA-N 283.158 3.537 30 20 CHED N#C[C@@H]1CCC[C@@H]1N=c1[nH]c2cc(Cl)cc(Cl)c2o1 618971920 HMJRHZMQMVLYQH-XVKPBYJWSA-N 296.157 3.661 30 20 CHED Cc1nc(N[C@@H](C)c2cccc(C#N)c2)sc1C 610685156 BYHHYAHVCQKOKQ-JTQLQIEISA-N 257.362 3.805 30 20 CHED C[C@@H](Cc1ccncc1)N[C@@H]1CCCc2cc(C#N)ccc21 611393798 MBZAHBCBDVQUAP-IFXJQAMLSA-N 291.398 3.551 30 20 CHED C[C@H](Sc1cc(C#N)ccn1)c1ccccc1[N+](=O)[O-] 361443982 WSYYAJKJZHHHBW-JTQLQIEISA-N 285.328 3.715 30 20 CHED Cc1cc(CSc2ccc(C#N)cc2Cl)nn1C 611103398 JAFDQPNJHGOUAM-UHFFFAOYSA-N 277.780 3.546 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1CCCC(C)(C)C#N 611554284 KFHNYRPTCBXSRS-NEPJUHHUSA-N 276.346 3.979 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(CCSC)cc1 454677157 FGKYESOGVQVTJL-UHFFFAOYSA-N 278.421 3.680 30 20 CHED CC[C@H](NCc1cc(C(C)C)no1)c1ccc(C#N)cc1 618567975 BOBSJAMMDGVNFO-INIZCTEOSA-N 283.375 3.911 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(CC(C)C)c[nH]2)C1 617777837 XYLSKQQJUDRARN-CQSZACIVSA-N 274.408 3.642 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)[C@@H](C)c1ccccc1 544026454 ZCWRBRLNGFTKOL-FMKPAKJESA-N 274.408 3.833 30 20 CHED C=CCC1(NC(=O)N[C@H](C)C[C@@H]2CCCO2)CCCCC1 458227489 RTCNTKCPSHRMDG-CABCVRRESA-N 294.439 3.522 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCCC(C)(C)C#N 272035706 PZLMYUIFCCPPOM-CYBMUJFWSA-N 260.381 3.594 30 20 CHED Cc1cccc(C2(NC(=O)CC(C)(C)C#N)CCCC2)c1 278801066 XRSMUVSIIPZMOZ-UHFFFAOYSA-N 284.403 3.820 30 20 CHED C[C@@H](NC(=O)[C@H]1CCCC1(C)C)c1ccc(C#N)cc1 274706622 RXVYOLNMTONAFL-IUODEOHRSA-N 270.376 3.562 30 20 CHED C=C(C)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273515563 PFUCTCIXJITUSH-JKSUJKDBSA-N 263.356 3.554 30 20 CHED CC[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 279743997 XIUXUTGZRQDLNS-INIZCTEOSA-N 284.403 3.892 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccccc2CC)no1 273630904 AKWFKVDWUSUYMW-LBPRGKRZSA-N 272.348 3.953 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@H](C)c1cccs1)OCC 270060742 USIHDDXAIZVNPL-OLZOCXBDSA-N 281.421 3.639 30 20 CHED CC(C)(C)c1cnc(CNc2ccc(C#N)cc2)s1 279671363 YUKFFHAKOKLERV-UHFFFAOYSA-N 271.389 3.924 30 20 CHED CC[C@@H](C)CN(CC)C(=O)c1ccc(Cl)c(C#N)c1 543479532 FLCRRDNVEAQZDV-LLVKDONJSA-N 278.783 3.720 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CCO[C@H](C)C2)c1 272143293 PELITTNEAJHNLO-UKRRQHHQSA-N 261.365 3.621 30 20 CHED Cc1ccnc(N2CCC(C)(c3ccccc3)CC2)c1C#N 543137477 PEOWLABVZGKNDS-UHFFFAOYSA-N 291.398 3.820 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cccn1C(C)C 272535578 RHODXLOBAKKIRA-UHFFFAOYSA-N 286.375 3.533 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 540411342 ALNQHLFVOADPBL-QZTJIDSGSA-N 291.410 3.974 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H](C(C)C)CC1 466366438 HORCDCUUIYVPGB-LSDHHAIUSA-N 266.429 3.809 30 20 CHED CC#CCCNCc1cnc(C2CCCCC2)s1 541853150 KZEHGVPJVREPLY-UHFFFAOYSA-N 262.422 3.694 30 20 CHED C=C(C)CCNc1ccc(C(=O)NCCC)c(Cl)c1 288800058 YXDOZYNOVCWAGK-UHFFFAOYSA-N 280.799 3.858 30 20 CHED C=CC[C@H](CC)NC(=O)N(CCC(C)C)C1CC1 466378381 LUHIEDONQQQWFU-ZDUSSCGKSA-N 252.402 3.561 30 20 CHED N#CC1(CN(CCc2cccc(F)c2)C2CCCC2)CC1 557703839 CJPLQXHGSDACST-UHFFFAOYSA-N 286.394 3.917 30 20 CHED CN(C(=O)Cc1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C(C)(C)C 557069468 RWMCFWZRRZUOCL-DLBZAZTESA-N 298.430 3.774 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@](C)(C#N)C(C)(C)C 464170785 YCSZBSLDPSSEOW-IUODEOHRSA-N 252.402 3.503 30 20 CHED CC(C)c1ccc(C(=O)/C=C/c2cn(C(C)C)nn2)cc1 286968693 BVXFTQLOKCPTDK-MDZDMXLPSA-N 283.375 3.879 30 20 CHED CN(C)c1cc(OCCCC(C)(C)C#N)cc(N(C)C)c1 289597591 DGAWMEUNMJOAIX-UHFFFAOYSA-N 289.423 3.527 30 20 CHED C=CCCN1CCC(n2c(C)nc3ccccc32)CC1 280332210 ZUBNDDUTBCSLPA-UHFFFAOYSA-N 269.392 3.558 30 20 CHED C#CCCCCNC1CCC(N(C)Cc2ccccc2)CC1 286105430 MUXDNUDGRRSPNY-UHFFFAOYSA-N 298.474 3.823 30 20 CHED CC(C)c1ccc(Cc2noc(CC(C)(C)C#N)n2)cc1 288910920 GTKPIIKODUNRAF-UHFFFAOYSA-N 283.375 3.876 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 464751248 KWZZENMWHOTBDT-BXUZGUMPSA-N 278.783 3.761 30 20 CHED C=CC[C@@H](CC)N[C@H](C)CCc1n[nH]c2ccccc12 467404484 KNTNAIWZHGGZCB-ZIAGYGMSSA-N 271.408 3.828 30 20 CHED C=CCCOc1ccccc1-c1cnn2c1CCCC2 630052712 JADWXXKIWABLDE-UHFFFAOYSA-N 268.360 3.841 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2CCCC[C@H]2C)no1 289052853 FSLYBWZBKFLIIR-XJFOESAGSA-N 276.380 3.812 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCCc3ccccc32)CC1 474708409 WBDBFHOWLVSMMZ-INIZCTEOSA-N 283.415 3.969 30 20 CHED C=CCCCCNC(=O)CCc1ccccc1Cl 471673469 HCHORMRSMCGBFS-UHFFFAOYSA-N 265.784 3.745 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(F)cc2F)no1 556345340 QDSLYHUJRDGFCC-CQSZACIVSA-N 264.275 3.869 30 20 CHED CC/C(=C\C(=O)N(C)[C@H](C)C#N)c1cccc(Cl)c1 297646041 AXTHLPMZSGIUIQ-LWMMSDEHSA-N 276.767 3.504 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 470539095 UZECBCZISXMCHT-NSHDSACASA-N 290.363 3.670 30 20 CHED C[C@@H](C#N)OCCN[C@@H](C)c1cccc(Cl)c1Cl 801939738 RGMKZKIIRRUUFW-UWVGGRQHSA-N 287.190 3.573 30 20 CHED C=C(CNC(=O)/C=C(\C)C(C)(C)C)c1ccccc1 807798726 ZHVWRSUFFOBBFH-SDNWHVSQSA-N 257.377 3.808 30 20 CHED CNc1ccc(C#N)cc1NC(=O)/C=C(/C)C(C)(C)C 803302072 GRHBJLRGKJFJTE-FLIBITNWSA-N 271.364 3.531 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccsc1C 640465890 TWYQUFCJLFDHAS-SNVBAGLBSA-N 252.383 3.923 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CSC[C@H]1C 804501308 BDWHAYGLXKPUJQ-CHWSQXEVSA-N 257.443 3.605 30 20 CHED C=CCCC(C)(C)NC(=O)NC1(C(F)(F)F)CCC1 640070065 TUCNDOWRARTPAD-UHFFFAOYSA-N 278.318 3.515 30 20 CHED C=C(C)CN(CC)C(=O)c1nsc2ccc(C)cc12 294127441 PWVHYWMYHBRJBC-UHFFFAOYSA-N 274.389 3.643 30 20 CHED C#CCCc1noc([C@@H]2CCC[C@@H]3CCCC[C@@H]32)n1 809396917 RJKHCOPNOGMFIK-MELADBBJSA-N 258.365 3.709 30 20 CHED C=CC[C@H]1N(C(=O)Cc2ccc(C#N)cc2)CCCC1(C)C 470290757 ZQNWWOXLZWBKNO-QGZVFWFLSA-N 296.414 3.694 30 20 CHED C=CCOc1cccc(NC(=O)c2cc3ccccn3c2)c1 567639880 YWKDTCXVMJTMJJ-UHFFFAOYSA-N 292.338 3.756 30 20 CHED C=CCCCc1nc(C2(c3cccc(C)c3)CC2)no1 563842829 SEWDRUMTUAEBHY-UHFFFAOYSA-N 268.360 3.967 30 20 CHED C=CCCCCn1cc(C(F)(F)F)cc(Cl)c1=O 649384032 DDZNFQXHENBWJS-UHFFFAOYSA-N 279.689 3.877 30 20 CHED N#CC1(CNCc2ccc(Cl)c(C(F)(F)F)c2)CC1 562392101 LLWOBHXWDHUASA-UHFFFAOYSA-N 288.700 3.752 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CC1CCCCC1 470490573 AHXAVRZUEPAXOX-PBHICJAKSA-N 281.440 3.690 30 20 CHED C[C@@H]1Sc2ccccc2N(Cc2ccc(C#N)cn2)[C@H]1C 563349236 FOPJIWXFAXCENW-STQMWFEESA-N 295.411 3.843 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccccc1F)C2 811696964 XEVXELBEEQDTKR-ZROIWOOFSA-N 263.271 3.520 30 20 CHED C=CC1CCN(Cc2ccc3ccccc3c2O)CC1 816509623 WXEVEUCZSPDMQI-UHFFFAOYSA-N 267.372 3.943 30 20 CHED C=CCC[C@H](C)N[C@@H]1C[C@@H](OCC)[C@H]1Oc1ccccc1 482514382 UJVYBKMHJMUKCJ-HPBDAGMYSA-N 289.419 3.556 30 20 CHED Cc1ccc(C(=O)OCc2oc(C(C)C)nc2C)cc1C#N 813219753 LBCDNGJQVLWWQY-UHFFFAOYSA-N 298.342 3.644 30 20 CHED Cc1ccc(Nc2ccccc2C(=O)NC[C@H](C)C#N)cc1 561491659 ANJUEOMQEWEKFA-CQSZACIVSA-N 293.370 3.628 30 20 CHED CC[C@H](C)NN=C1CC[C@H](c2ccccc2)C[C@H]1OC 814912959 DMQDYISUOOYPAN-JLJPHGGASA-N 274.408 3.713 30 20 CHED C=CCN(C(=O)[C@H]1C[C@]1(C)C(C)C)c1ccccc1 484092545 DBDLIZVJYXMGMY-NVXWUHKLSA-N 257.377 3.888 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(C)s2)cc1 569422847 YEAIQYWDZBFTQJ-HNNXBMFYSA-N 298.411 3.956 30 20 CHED Cc1cc(C)c(C(=O)O)cc1C=NNc1cccc(F)c1 814815312 SQKDOELKLYVIET-UHFFFAOYSA-N 286.306 3.587 30 20 CHED CCCC[C@](C)(NCC#N)c1cccc(Br)c1 483063106 XNGQRBRHOUHUJV-AWEZNQCLSA-N 295.224 3.968 30 20 CHED C=CCCCC(=O)Nc1ccnn1[C@H](C)CC(C)C 481767842 YWEYXGMWTVDKEB-CYBMUJFWSA-N 263.385 3.785 30 20 CHED C#CCN(C)C(=O)N[C@@H](c1ccc(CCC)cc1)C(C)C 811995373 QFIZBVAQUUXLQM-QGZVFWFLSA-N 286.419 3.611 30 20 CHED Cc1nc(Cl)cc(NN=C2CS[C@H](C(C)(C)C)C2)n1 814855039 DUBNJCKCJUFBQQ-JTQLQIEISA-N 298.843 3.758 30 20 CHED C=CCC(F)(F)C(=O)N(CC1CCCCC1)C1CC1 815071027 CUPQWPGIPFZGBS-UHFFFAOYSA-N 271.351 3.769 30 20 CHED CSc1ccc(OCc2ccc(F)cc2C#N)cc1 487950230 TUAGTKFXOGQCBP-UHFFFAOYSA-N 273.332 3.998 30 20 CHED Clc1cccc2c1OCCCC2=NOC1CCC1 812236089 GSOOAGSVSVEONO-UHFFFAOYSA-N 265.740 3.786 30 20 CHED CC#CCCCC(=O)Nc1c(-c2ccccc2)n[nH]c1C 487096315 FMHSNEYRUUUROQ-UHFFFAOYSA-N 281.359 3.517 30 20 CHED CCCCCC(C)=NNc1nncc2ccccc12 818214460 AENHLLGGTWPCLH-UHFFFAOYSA-N 256.353 3.998 30 20 CHED C#C[C@H](NC(=O)c1cc(C)oc1C)c1ccc(Cl)cc1 811948857 KSIBJGIHBPWYRC-HNNXBMFYSA-N 287.746 3.654 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NOCC1CC1 814243305 PLWJJAASZXZFDP-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](c1ccccc1)C(CC)CC 812003501 FHIQXGOYMQCBNN-YOEHRIQHSA-N 286.419 3.827 30 20 CHED CC(C)C1CCC(=NNC[C@@H]2CCSC2)CC1 811659365 RQSZHUWWNSXNIJ-UEWDXFNNSA-N 254.443 3.531 30 20 CHED C[C@@H]1CCCCN1C(=S)Nc1ccc(C#N)c(Cl)c1 726435282 DVEZKWBQTAAXNG-SNVBAGLBSA-N 293.823 3.783 30 20 CHED C=CCSc1nc2ccccc2n1CN1CC[C@H](C)C1 725778164 ASWUIZLUFRNOAW-ZDUSSCGKSA-N 287.432 3.614 30 20 CHED CS[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C 571129760 YYHREKHFJASFPC-CVEARBPZSA-N 288.460 3.913 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](C)c1cccc(C)c1C 810411332 MHUCAOKYLWMCQE-MRXNPFEDSA-N 291.394 3.705 30 20 CHED Cc1nc(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)ccc1C#N 488088953 YRDRKIYKYMVSPD-BLLLJJGKSA-N 295.361 3.783 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)no1 488865994 FHJGRTOQZCUHLN-CQSZACIVSA-N 282.343 3.522 30 20 CHED C[C@@H]1CCN(C(=O)C#Cc2cccs2)[C@@H](c2ccco2)C1 826700893 PICIEOOZYOMOCU-UKRRQHHQSA-N 299.395 3.692 30 20 CHED C#Cc1ccc(C(=O)Oc2c(C)cc(Cl)cc2C)nc1 728800828 NXFRZWIMFWNVBY-UHFFFAOYSA-N 285.730 3.552 30 20 CHED C#CCNC(=O)[C@@H](C)S[C@@H](CC)c1ccc(Cl)cc1 726796504 CEYIIYHYRIWFCH-RISCZKNCSA-N 295.835 3.662 30 20 CHED N#Cc1cc(Nc2ccc(CCC(F)(F)F)cc2)ncn1 575939468 FKMOVJXMAQYOJG-UHFFFAOYSA-N 292.264 3.587 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC[C@H]1CCO[C@@H](C)C1 657971882 SQCIRQIFKMSWSV-NXOAAHMSSA-N 265.441 3.916 30 20 CHED Cc1cccc2c1C/C(=C\c1cccc3c1OCO3)C2=O 729151672 VHANRMVVZWBUJI-MDWZMJQESA-N 278.307 3.546 30 20 CHED C=C(Cl)CNC1CCC(OC2CCCC2)CC1 824098740 NASCAYFRORTARU-UHFFFAOYSA-N 257.805 3.599 30 20 CHED C#Cc1cccc(NC(=S)N2CCc3ccc(C)cc32)c1 726486837 UYUJUGXDMJJTQC-UHFFFAOYSA-N 292.407 3.736 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)cc1 728231257 KNHPUDICVYMBML-VQHVLOKHSA-N 252.313 3.905 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C(/C)c1ccco1 826553679 DRUOKANADOBDNZ-OWBHPGMISA-N 288.391 3.861 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(C)c(C)c1O 728156357 GXYCWMFTTRAVKE-UHFFFAOYSA-N 279.343 3.717 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1CN1CCCCC1 727734170 HTSLCSJWRJOXTL-KRWDZBQOSA-N 294.483 3.824 30 20 CHED C=CCCOC(=O)c1ccc(-c2ccc(F)cc2)n1C 729074160 FMXNDNXEOZCRNV-UHFFFAOYSA-N 273.307 3.564 30 20 CHED C[C@H]1CCN(c2c(Cl)cccc2C#N)CC1(F)F 491587858 CJGLOOXGJFJPOW-VIFPVBQESA-N 270.710 3.693 30 20 CHED C=CC1CCN(C(=O)c2ccn(C)c2-c2ccccc2)CC1 668568531 CFFFKBMUHNHIPG-UHFFFAOYSA-N 294.398 3.730 30 20 CHED Cc1ccc(/C=C/C(=O)c2cn(C(C)C)nn2)cc1Cl 901523654 BXZBKEJWWHIOPH-VOTSOKGWSA-N 289.766 3.717 30 20 CHED C=CCN(CC1CCCCC1)CN1C[C@@H](C(C)C)CC1=O 733296233 JZYRYXKNQJZVSN-KRWDZBQOSA-N 292.467 3.517 30 20 CHED CCn1nnc(C)c1/C=C\C(=O)c1ccc(CC(C)C)cc1 834405154 PJYGYNYDSOYVDM-KHPPLWFESA-N 297.402 3.701 30 20 CHED CCCc1coc(NC(=O)C[C@@H](CC#N)c2ccccc2)n1 580782286 BKJKCIKSSKBSDE-CQSZACIVSA-N 297.358 3.653 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cnccn1 734746824 WVMVWSYDIWZRMZ-ZDUSSCGKSA-N 282.391 3.675 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)C(=O)C#CC(C)(C)C 837332915 BYVQYUUTCHSMIX-LBPRGKRZSA-N 277.795 3.909 30 20 CHED Cc1ccsc1-c1noc(CCc2ccc(C#N)cc2)n1 582576521 SBKVXCCSTUFYJW-UHFFFAOYSA-N 295.367 3.763 30 20 CHED Cc1cnccc1[C@@H](OC(=O)CCCC#N)c1ccccc1 835518253 JTFVHHBTAXCZET-SFHVURJKSA-N 294.354 3.717 30 20 CHED C=C1CCC(C(=O)Nc2cccc([C@@H](C)C(=O)O)c2)CC1 909831675 QHBKKSFOOILDAU-GFCCVEGCSA-N 287.359 3.560 30 20 CHED C=CCCC(=O)NCC1(c2cccc(C)c2)CCCC1 588818247 JMQFYNYFPPAJAX-UHFFFAOYSA-N 271.404 3.889 30 20 CHED Cc1ccsc1CCN[C@H]1CCc2ccc(C#N)cc21 581219993 GXKABKHHGMNZLN-INIZCTEOSA-N 282.412 3.748 30 20 CHED N#CCc1ccccc1C(=O)OCc1ccc2c(c1)CCC2 734568262 QJHOFKOMMKODAP-UHFFFAOYSA-N 291.350 3.598 30 20 CHED CCC(CC)(CC)C(=O)Nc1cc(C#N)ccc1NC 586818527 SFMYLNSETMETPH-UHFFFAOYSA-N 273.380 3.755 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc(C(=O)O)cc1 832977223 FDOIXSZLLFUZOX-ZHACJKMWSA-N 266.296 3.589 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 837466422 WUKFVEKKDIYXDJ-OAHLLOKOSA-N 297.398 3.599 30 20 CHED N#CCOc1ccc(Cl)cc1CSCCOC1CC1 902326084 NWHGKMDFPFBAEB-UHFFFAOYSA-N 297.807 3.655 30 20 CHED CC(C)(C)C#CC(=O)Nc1ncc(-c2ccccc2)s1 837353281 IYMVRHPGQPJGFA-UHFFFAOYSA-N 284.384 3.798 30 20 CHED CCC(=NNc1ccnc(Br)c1)C1CCC1 834970133 SPYKAJXMMHZAPH-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CCn1cncc1/C=C1\C(=O)c2cccc(C)c2[C@H]1C 901489036 LXEQIGIVMTZTAH-IYVNWDGISA-N 266.344 3.595 30 20 CHED C=C(C)CN(C)c1nnc(-c2cccc(Cl)c2)n1CC 670112275 OMVKCAYJIRQCFN-UHFFFAOYSA-N 290.798 3.631 30 20 CHED Cc1nc(C)c(C=NN[C@@H]2CCc3c(F)cccc32)s1 835020773 PDODDRKZGDZJHM-CQSZACIVSA-N 289.379 3.510 30 20 CHED CC(=NOC1CCOCC1)c1c(C)oc2ccccc12 834972311 MRYNEFJNKVHFQN-UHFFFAOYSA-N 273.332 3.661 30 20 CHED N#Cc1ccccc1-c1cc(F)ccc1OC[C@H]1CCOC1 589962504 MYJSKAKKCOLHQO-ZDUSSCGKSA-N 297.329 3.780 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(O)c2)ccc1C 588599389 SUALBXZCVIZQQY-HJWRWDBZSA-N 268.312 3.605 30 20 CHED C=CCCC(CC)=NN=c1cc[nH]c2ccccc12 730146754 FJLKPLYFKNAAQA-UHFFFAOYSA-N 253.349 3.801 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2ccc(Cl)s2)C1 839057900 IJSIWBWGWPLRSB-VHSXEESVSA-N 283.780 3.570 30 20 CHED CC(CC(C)(C)C)=NNc1nnc(-c2ccccc2)n1C 834941435 XMYWSGAYQSSFNS-UHFFFAOYSA-N 285.395 3.706 30 20 CHED COc1cc(C)c([C@H](C)/N=C/c2ccccc2O)cc1OC 915980665 YGKWZHRPIRCHCZ-MDBUFAAASA-N 299.370 3.898 30 20 CHED C#CCCOc1ccc(-c2nc(CCC(=C)C)no2)cc1 834733578 OUYXXXZMWXOLRO-UHFFFAOYSA-N 282.343 3.647 30 20 CHED Clc1cccnc1NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 917548687 DXXIPUOZIWLDBK-RHYQMDGZSA-N 275.783 3.959 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cccc(Cl)c1 915970932 UKGANZKCYOWXGV-UHFFFAOYSA-N 274.755 3.583 30 20 CHED COc1cc(F)cc(NN=C2CCCC23CCC3)c1 834962812 ZHRZIHVBISYMKF-UHFFFAOYSA-N 262.328 3.956 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1nccs1 746575323 ASWNNUWLOQQTCR-UHFFFAOYSA-N 285.294 3.998 30 20 CHED Cc1cc(CNc2nc(C(C)(C)C)ccc2C#N)cc(C)n1 591462625 OINDYTSDUWWLIW-UHFFFAOYSA-N 294.402 3.875 30 20 CHED CC[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 593576437 TULDDBAWQVEQJD-KGLIPLIRSA-N 284.403 3.508 30 20 CHED C=CCOc1cccc(CNCc2c(C)cccc2F)c1 742380353 MJTNNDIBFDFREX-UHFFFAOYSA-N 285.362 3.989 30 20 CHED O=C(O)c1ccc(NN=Cc2coc3ccccc23)cc1 746557414 CUAAWDJHFQJMDL-UHFFFAOYSA-N 280.283 3.577 30 20 CHED C[C@@H]1CCCC(=NNC(=S)N[C@@H]2CCCC[C@H]2C)C1 916277804 SQGCDSHSCNLHCY-YRGRVCCFSA-N 281.469 3.595 30 20 CHED Cc1cc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])c(C)[nH]1 915977500 VMWATVPLSKSJND-UHFFFAOYSA-N 292.726 3.639 30 20 CHED N#CC[C@@H]1CCCN(Cc2cnc(-c3ccco3)s2)C1 597177430 MGLRGTYNKSJINJ-LBPRGKRZSA-N 287.388 3.529 30 20 CHED COc1cccc(C(C)=NNc2ncccc2Cl)c1 917549509 QPNOHYWJWWQUFX-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C1CCC2(CC1)CC2 597376343 KFTLHXBIDNOXKH-UHFFFAOYSA-N 297.402 3.899 30 20 CHED C=C(Cl)COC(=O)c1ccc(OC2CCC2)cc1 745673960 XRPPJLZSZNNTMO-UHFFFAOYSA-N 266.724 3.527 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1Oc1cccnc1 679205350 IQFYKPINHUBVRQ-UHFFFAOYSA-N 282.343 3.522 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1c(C2CC2)cnn1C 849244739 JNWZJVLLBKOYSB-FPLPWBNLSA-N 284.334 3.641 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H](CC#N)C2)c(F)c1Cl 597902961 FWDSJGJSPKPOKY-LLVKDONJSA-N 294.757 3.553 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)C(F)F)c2C#N)[C@@H](C)C1 844546436 YLYDEOILPPQXDO-BQBZGAKWSA-N 284.331 3.509 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCc2ccc(C)cc21 682379719 FRNARBBQKORVMU-RDJZCZTQSA-N 257.377 3.701 30 20 CHED C=CCCC(C)(C)NC/C=C/c1ccccc1[N+](=O)[O-] 594998073 GFEIPZFBWGLKBY-CSKARUKUSA-N 274.364 3.942 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(-c2ccncc2)cs1 913788860 PIIWHEXSMFVLAH-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CC(CCCCC#N)=NNc1ccnc(Br)c1 841633648 YHSFTAGLLLREOZ-UHFFFAOYSA-N 295.184 3.716 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cc(OC)ccc1O 840970902 FGTYFEFPVCZNOA-KRWDZBQOSA-N 297.398 3.678 30 20 CHED CCOc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1 749744968 CTOLXZLHSHTBDK-SXGWCWSVSA-N 284.286 3.841 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)c2ccc(C#N)[nH]2)c(C)c1 846297964 CAHQOFIEEPIAIJ-UHFFFAOYSA-N 295.386 3.806 30 20 CHED CC[C@@H](OCCN1CCC[C@H](CC#N)C1)c1ccccc1 595622882 FHXZHAREMSKOGT-SJLPKXTDSA-N 286.419 3.780 30 20 CHED C[C@@H]1[C@@H](C(F)(F)F)CCN1[C@H](C#N)c1ccccc1 595471025 ZBRSLUQDOLBWAO-KGYLQXTDSA-N 268.282 3.524 30 20 CHED Cn1c(NN=C2CCCC2(C)C)nc2ccccc21 749858735 NOCLGFWCAVCZNB-UHFFFAOYSA-N 256.353 3.551 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1c(F)cccc1Cl 924859045 SARSKLFBBSZZFU-SNVBAGLBSA-N 268.763 3.897 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C=C(/C)c1ccccc1Cl 847169565 WPFCRRYURGFWSD-MMRAYRKESA-N 276.767 3.504 30 20 CHED c1ccc(C(C[C@H]2CCOC2)=NOCC2CCC2)cc1 853439793 QSUHGNIUHUMXTI-OAHLLOKOSA-N 273.376 3.634 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1N1CCCC1 929762530 NZEMNICCWOQRJL-AWEZNQCLSA-N 272.392 3.828 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1c(C)cc(Cl)cc1C 921146076 HGKNGQVFVXYGPW-LBPRGKRZSA-N 282.767 3.843 30 20 CHED CCCCCCCCNC(=O)c1noc2c1CCCC2 754850432 NJWNZZPWJLWGMR-UHFFFAOYSA-N 278.396 3.644 30 20 CHED CC[C@@H]1CC(=NNc2ncc(Cl)cc2Cl)CCO1 756823424 LOGOQUVZYYISMN-SNVBAGLBSA-N 288.178 3.745 30 20 CHED C[C@@H]1CC(=NNc2ccc(C(F)(F)F)nn2)C[C@@H](C)C1 754710323 SSMPCAFXWKFJGO-IUCAKERBSA-N 286.301 3.719 30 20 CHED C#CC[C@@H](NC(=O)NCc1cccc(C)c1)c1ccccc1 757005298 GPXVKSNONQZYMO-GOSISDBHSA-N 292.382 3.559 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1c(C)cncc1C 684135045 NVAPHKJFDNKNDY-UHFFFAOYSA-N 286.400 3.588 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(C)cc2)c1 759213028 TZYJTRXFRQIXMN-UHFFFAOYSA-N 272.323 3.979 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1c(Cl)c2ccccc2n1C 751157423 LBWZYMGIRNHAFG-LBPRGKRZSA-N 290.750 3.537 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(N3CCCC3)c2)C1 851083129 FSVUMRFUCGRTQD-RHSMWYFYSA-N 298.386 3.526 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1c(F)cccc1Cl 921225421 AZKNJGKPZQATHX-JTQLQIEISA-N 286.730 3.504 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1cc(F)cc(F)c1)OCC 756579163 JSZGSPJBHNAKQX-NHYWBVRUSA-N 298.329 3.940 30 20 CHED COCc1ccc(/C=C\C(=O)c2cc(C)ccc2O)cc1 757468947 WEOXIIOZIDOMJW-NTMALXAHSA-N 282.339 3.743 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc(-n2ccnc2)c1 926050553 BLZQLGJHVYDDHJ-ZDUSSCGKSA-N 268.364 3.613 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ncccc1[N+](=O)[O-] 759202662 HAFVQAWZDPCEJT-UHFFFAOYSA-N 298.346 3.719 30 20 CHED Cc1nc(C#N)c(NN=Cc2c(C)cc(Cl)cc2C)o1 756882183 JMSFPZCSNBWPTP-UHFFFAOYSA-N 288.738 3.571 30 20 CHED CC#CCCOC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 758857167 MIUKMONEOHAIOA-UHFFFAOYSA-N 292.203 3.554 30 20 CHED CCCCCCCCNC(=O)C(C1CC1)C1CC1 754853427 IQCJLEMTMIHTGD-UHFFFAOYSA-N 251.414 3.899 30 20 CHED C=CCCCCCCCN[C@H]1CCCn2nccc21 850468624 JGQVVMXUEYZPLQ-HNNXBMFYSA-N 261.413 3.834 30 20 CHED Cc1ccc(C)c(NC(=S)NN=C/C=C\c2ccco2)c1 920362002 GSYNZLXOOQGJPD-FDTFQMGPSA-N 299.399 3.882 30 20 CHED CC(C)COc1ccccc1/C=C1/CCn2nccc2C1=O 853008975 CDZNCVAINZRJFB-PTNGSMBKSA-N 296.370 3.588 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C=O)c(C)cc1C 856372296 JEJAPKJURAOISO-UHFFFAOYSA-N 273.376 3.591 30 20 CHED C=C(Cl)CN[C@H](c1cccnc1)c1ccc(F)c(C)c1 753678390 JWBFAPIXLWWCNM-INIZCTEOSA-N 290.769 3.961 30 20 CHED CCCCCC=Nn1c(S)nnc1-c1ccc(F)cc1 755618104 FHGYHPWNOBSSSZ-UHFFFAOYSA-N 292.383 3.787 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1cccc(C#N)c1 53955312 JKPGWINRYSKNPG-LBPRGKRZSA-N 259.353 3.504 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccccc1C(F)(F)F 755825542 XCXYTNMNKOWPAY-CYBMUJFWSA-N 287.281 3.973 30 20 CHED C#CC[C@H](NC(=O)c1ccc(CC)s1)c1ccccc1 757577125 FQGHZYRUMQQUFE-HNNXBMFYSA-N 283.396 3.805 30 20 CHED O=C(O)c1cc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)ccc1Cl 864358354 VWPDIZGBWDGVFF-DCAQKATOSA-N 290.750 3.648 30 20 CHED C=CCCCC(=O)N[C@H]1CCc2ccc(Cl)cc21 863639069 XHTZSIXZKGXTBM-AWEZNQCLSA-N 263.768 3.800 30 20 CHED COc1ccnc(C(C)=NNc2cc(C)ccc2C)c1 863073268 HEYOYXVESNQWQY-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1ccc2ccccc2n1 933602337 XZGVCPUUJDEFRY-ZDUSSCGKSA-N 268.360 3.800 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1N(C)CCC 863575103 IYQUBSVANFAQDX-UHFFFAOYSA-N 282.334 3.683 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C 934165584 CZPGYHBBHLKPRA-CYBMUJFWSA-N 298.390 3.629 30 20 CHED CC(C)=CCC[C@H](C)CC=NNCC(F)(F)F 769825364 RZLKBJILSBAPKR-NSHDSACASA-N 250.308 3.897 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1cc(C#N)cc(Cl)n1 768376709 UYTIRIMFNQIBKE-SNVBAGLBSA-N 296.761 3.615 30 20 CHED C=C(Br)COC(=O)[C@@H](c1ccccc1)C1CC1 766199331 RHSOKKQAPGWKAS-ZDUSSCGKSA-N 295.176 3.632 30 20 CHED CCOC(=O)[C@H]1CCC(=NOCc2ccccc2)[C@@H](C)C1 761253842 LDAIGDCYZXCQOK-ZFWWWQNUSA-N 289.375 3.559 30 20 CHED Cc1cc(C=NNc2oc(C(C)C)nc2C#N)c(C)s1 760255179 VBKLKVZQEJNHPZ-UHFFFAOYSA-N 288.376 3.794 30 20 CHED CC(=NOC[C@@H]1CCCOC1)c1cc2ccccc2o1 769876717 GPULBTHNIZAKLM-CYBMUJFWSA-N 273.332 3.600 30 20 CHED COc1ccc(OCCSCc2cccc(C#N)c2)cc1 58239734 BOHUJXYYXSMKSA-UHFFFAOYSA-N 299.395 3.879 30 20 CHED COc1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1F 762058311 MGLWYDNOASKZOS-NSHDSACASA-N 299.301 3.624 30 20 CHED COc1ccsc1/C=C1\CCc2cc(O)ccc2C1=O 764434440 ZGCVCTIGMBGVNG-PKNBQFBNSA-N 286.352 3.675 30 20 CHED C#CCCCOC(=O)COc1ccc(-c2ccccc2)cc1 766865364 JGJZKGFDDARHRV-UHFFFAOYSA-N 294.350 3.689 30 20 CHED Cc1c(C(=O)/C=C\c2cc(Cl)ccc2Cl)cnn1C 778518122 ROIYHQQISYNZKB-UTCJRWHESA-N 295.169 3.931 30 20 CHED C#CCCCCC(=O)NCCSCc1ccc(C)cc1 773203941 YJTLGHNNAKDLCG-UHFFFAOYSA-N 289.444 3.538 30 20 CHED N#Cc1cccc(CONC(=N)CCCc2ccccc2)c1 770694687 QXFZDDNNNMRRTO-UHFFFAOYSA-N 293.370 3.580 30 20 CHED C#CCOc1ccccc1NCc1cnoc1-c1ccco1 774374340 YESHRHAUZVJMFC-UHFFFAOYSA-N 294.310 3.559 30 20 CHED COc1ccc(OCCSCc2ccc(C#N)cc2)cc1 57683788 TVZXCNFRNPPEFI-UHFFFAOYSA-N 299.395 3.879 30 20 CHED C#CCCCCCC(=O)NCCSc1ccc(C)cc1 779746931 KVBUCVWLZNOXPH-UHFFFAOYSA-N 289.444 3.787 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(OC)c(C)c1 776190748 BICLHKUIYOHBDS-FNORWQNLSA-N 281.355 3.857 30 20 CHED CCC(CC)[C@@H]1C[C@@H](/N=C\c2cccc(O)c2O)CCO1 777873850 VCTUJFCNAUSHMJ-OAEIIIPUSA-N 291.391 3.501 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2cscn2)c1 776193923 WWOXEJCRWZMZKM-SREVYHEPSA-N 273.357 3.828 30 20 CHED N#Cc1ccc(/C=C2/CCc3ccc(F)cc3C2=O)cc1 776191220 CHQGLXYHOONAHW-DHDCSXOGSA-N 277.298 3.910 30 20 CHED CCCCCCCOC(=O)c1ccc(OC(F)F)cn1 772556930 OGARRMIRNWWKJN-UHFFFAOYSA-N 287.306 3.810 30 20 CHED CCN(C(=O)c1cc(C)co1)[C@H](C)c1ccc(C#N)cc1 878965547 PNCGJJXCQGWDJE-CYBMUJFWSA-N 282.343 3.683 30 20 CHED CC(C)C#CC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 1118729974 UVRKCFDJJPQFPV-HKUYNNGSSA-N 281.399 3.574 30 20 CHED C[C@H](C(=O)OCc1cccc(C#N)c1F)c1cccs1 774962957 WPTLQQRNPOIWJS-JTQLQIEISA-N 289.331 3.606 30 20 CHED C=CC[C@H](C(=O)OCc1nccs1)c1ccccc1 778429061 KWYCPKNGAISBFP-ZDUSSCGKSA-N 273.357 3.546 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(N(C)C)cc1 1123264745 UORZJWUHZBEFAK-INIZCTEOSA-N 287.407 3.715 30 20 CHED Cc1oc2ccccc2c1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774593799 QXNUKQMFHRXWSM-XEZPLFJOSA-N 268.360 3.853 30 20 CHED CC(C)(C#N)CCOC(=O)c1cccc(C(F)F)c1 776388716 YZFZEHWXHHWLMZ-UHFFFAOYSA-N 267.275 3.721 30 20 CHED C=CCOC(=O)c1ccccc1Oc1ccccc1C#N 778175445 IMJQSIULXRCGRZ-UHFFFAOYSA-N 279.295 3.693 30 20 CHED C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)c1ccccc1 1126005981 ZVSRSZJGFGYGBN-WMLDXEAASA-N 278.355 3.561 30 20 CHED C#CCC1(C(=O)NCc2ccc(C)s2)CCCCC1 788167759 UKCRLQFLIDNHDD-UHFFFAOYSA-N 275.417 3.647 30 20 CHED CO[C@@H]1Cc2ccc(Nc3cccc(F)c3C#N)cc2C1 784191184 ISFOCAJHCZXZJE-CQSZACIVSA-N 282.318 3.555 30 20 CHED C#CCCCCCC(=O)Nc1cc(-c2ccccc2)on1 780555839 MUAULKNANDXZPQ-UHFFFAOYSA-N 282.343 3.864 30 20 CHED CC(C)CCC(=O)OCc1ccc(C#N)cc1Cl 784194229 KLWNPPZCTMOSBA-UHFFFAOYSA-N 265.740 3.691 30 20 CHED Cc1ccc(NCc2ccccc2COC(C)C)c(C#N)n1 881793155 BPPAYSDSNWLWQU-UHFFFAOYSA-N 295.386 3.799 30 20 CHED CCc1ccc(C=NOCc2ccc(C#N)c(C)c2)cc1 783007548 JBHXXELFMHMMGB-UHFFFAOYSA-N 278.355 3.980 30 20 CHED C[C@@H]1C[C@@H](CC/N=C/c2cc3ccccc3nc2O)CCO1 783685561 PBOGMELHFZARGN-UVIBUBJOSA-N 298.386 3.565 30 20 CHED CC1(C)CCC(CON=C2CCCOCC2)CC1 781619487 QLQQFLNMYSEJCI-UHFFFAOYSA-N 253.386 3.776 30 20 CHED N#C[C@@H](OC(=O)c1cc(O)ccc1Cl)C1CCCCC1 785879123 XLGVGWKTRUFRRP-CQSZACIVSA-N 293.750 3.675 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2ccc(C#N)c(F)c2)c1 1129567315 SPLDKUYNIQKLQM-UHFFFAOYSA-N 296.345 3.886 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 786257562 WEXASDZQFNHPLV-FSPWUOQZSA-N 290.366 3.937 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cc(Cl)cs1 782355098 SANBAVBRENWTKD-XGICHPGQSA-N 286.743 3.766 30 20 CHED N#CC1(COC(=O)[C@H]2C[C@]23CCc2ccccc23)CCCC1 780530456 ZWWVPALCQHXMCX-APWZRJJASA-N 295.382 3.518 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)C1C(C)(C)C1(C)C 780251212 AOICQXAZTHMERE-LBPRGKRZSA-N 266.429 3.592 30 20 CHED C=C(C)C(C)(C)c1nc([C@@H]2CC2(Cl)Cl)no1 896811356 UEYZOASUVZCYRK-ZETCQYMHSA-N 261.152 3.585 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cn3cc(C)ccc3n2)c1 789145119 YVBMCMZIVDZYPM-FNORWQNLSA-N 292.338 3.553 30 20 CHED Fc1cc(NN=Cc2ccccc2C2CC2)ccn1 781128298 UHZQGLPIMKWILX-UHFFFAOYSA-N 255.296 3.544 30 20 CHED COc1ccc(NN=C(C)c2ccc(SC)cc2)nc1 780267644 NEKVYFMPHIXIHF-UHFFFAOYSA-N 287.388 3.648 30 20 CHED Cc1cc(NCc2ccc(C#N)o2)ccc1Br 164451299 RYCMQOAUNZXZJS-UHFFFAOYSA-N 291.148 3.834 30 20 CHED C#CCC1(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)CCCCC1 788168503 MQTOZKXDTIIROA-ZBFHGGJFSA-N 299.414 3.993 30 20 CHED C=CCc1ccc(OC(=O)c2cncc(CC)c2)c(OC)c1 789401219 AEKVRSTZLYCTBH-UHFFFAOYSA-N 297.354 3.600 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C/c1cncs1)C2=O 788739576 QFDGXRLOMSZLSF-VGOFMYFVSA-N 285.368 3.709 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 791065663 AEZBQSWYOYITJS-LSDHHAIUSA-N 290.794 3.598 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 798031569 HSHYUNBCCPSMMQ-JCNLHEQBSA-N 287.378 3.772 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cc(C)c(C)o1 799881464 NJFCXAARMXGQSQ-UHFFFAOYSA-N 263.728 3.781 30 20 CHED COc1ccccc1CON=Cc1cc(C)ccc1F 799118855 XTDQDNGSYDTACI-UHFFFAOYSA-N 273.307 3.693 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H](F)CC2CCCCC2)n1 796617374 BTQRUSZEGPWCGL-STQMWFEESA-N 294.395 3.936 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(C)c(C)o1 799866145 VQUZOMWBISPTLF-UHFFFAOYSA-N 273.292 3.641 30 20 CHED N#Cc1cccc(NC(=O)Nc2ccc(C3CCC3)cc2)n1 1206772678 AHQAQYPKDSMYJY-UHFFFAOYSA-N 292.342 3.865 30 20 CHED CC(C)(C)n1cc(C=NNc2cccc3ccccc23)nn1 790165196 NGMSAJCHEXHQGV-UHFFFAOYSA-N 293.374 3.632 30 20 CHED CC[C@H](C(=O)Nc1cc(C)c(C#N)cn1)c1ccc(F)cc1 1130504823 VOBMRZBAFNVVBD-HNNXBMFYSA-N 297.333 3.533 30 20 CHED N#CC[C@@H](CC(=O)OCCCCCF)c1ccccc1 792270927 FJDHCXYQERXCAQ-HNNXBMFYSA-N 277.339 3.757 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(F)ccc2O)c1F 799891296 CHYSEQKKLFSFQO-ALCCZGGFSA-N 290.265 3.575 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](C2CCCC2)C1 708817493 KMPPEUXKHNRTBE-GOSISDBHSA-N 268.404 3.879 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)cc2C)cc1C#N 799297709 ZFDXZTSVIDKDMV-UHFFFAOYSA-N 268.291 3.567 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1F)c1ccnc(F)c1 794719094 MFQZIXIULDRPRE-ZPUQHVIOSA-N 289.256 3.951 30 20 CHED CC(C)Cc1ccccc1C(=O)N1CCC[C@](C)(C#N)C1 790884148 SYBZHBBRFIWMJI-GOSISDBHSA-N 284.403 3.651 30 20 CHED C=C(C)COC(=O)c1c(Br)sc(C)c1C 799542891 DKEYFKQPLXHBMD-UHFFFAOYSA-N 289.194 3.860 30 20 CHED CCCCCCCN1CC[C@@H](CN(C)CCC)C1 747963303 VCITUHKNWWNXIW-INIZCTEOSA-N 254.462 3.621 30 20 CHED C=CC[C@H]1CCCN(c2nccc3c(N)cccc23)C1 664256833 RRTUJVHVZUPGHI-ZDUSSCGKSA-N 267.376 3.610 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2sccc2Cl)c1 720249831 NPJGEMWYOZIWSB-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@@H]1CC[C@@H](NCc2cc(C#N)ccc2F)[C@H](C)C1 70113053 PQJIBTKGOHNJOO-XHBSWPGZSA-N 260.356 3.612 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N(C)[C@H](C)CC#N 576043050 ZCHWHNMAOJHMSH-ZIAGYGMSSA-N 250.386 3.520 30 20 CHED CCCCCCCC(=O)Nc1cccc2c1CNC2 695457891 KFUMWDPNRDZMFC-UHFFFAOYSA-N 260.381 3.589 30 20 CHED CCOC(=O)[C@H](CC)Sc1ccc(Cl)cc1C#N 1165754633 IFEIPVGTINVSPB-NSHDSACASA-N 283.780 3.645 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)C2CCCCC2)c1 1319307987 MDLSSZIKZNHGRN-KHPPLWFESA-N 272.344 3.636 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(OC(C)C)c(Cl)c1 1321758963 RQADBXIDTVXPDA-GXTWGEPZSA-N 297.826 3.979 30 20 CHED N#CCc1cccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)n1 1320364283 LOJMMUARRXFPMX-VNHYZAJKSA-N 255.365 3.528 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 1321236342 AMOPRMJQPWJARC-FDQGKXFDSA-N 296.414 3.908 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@H]1CC[C@H](SC)C1 1324736762 PREJGVWBHOKSFP-STQMWFEESA-N 284.469 3.514 30 20 CHED CCN(C(=O)CC#Cc1ccccc1)[C@H]1CCCC[C@H]1C 1322557543 NJGGXDLOBPMSEZ-AEFFLSMTSA-N 283.415 3.855 30 20 CHED CCN(Cc1ccccc1F)c1nc(Cl)c(C#N)s1 1328516976 SKEIFBLJAGOMCC-UHFFFAOYSA-N 295.770 3.834 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)c2ccccc2C)c1 1322546918 RYEZMWWKGBAKOU-KHPPLWFESA-N 280.323 3.678 30 20 CHED Cc1cc(CNC[C@@H]2CCCC2(C)C)ccc1C#N 1656300044 KPIQYYMGJLKVJJ-INIZCTEOSA-N 256.393 3.783 30 20 CHED C=CCC[C@@H]1CCCN1c1nc(C#N)c(Cl)s1 1338156391 YFUHEEYMXKBFQQ-SECBINFHSA-N 267.785 3.603 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 1262825389 JNOMMGXHDBNIQK-UHFFFAOYSA-N 297.314 3.626 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(F)c2occc12 1263449645 BMZRRKJXLJRSLX-GFCCVEGCSA-N 275.279 3.667 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccn(C(CC)CC)n1 1347522840 SMQUMGYQTMOJEE-OAHLLOKOSA-N 289.423 3.815 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)C1 1342631374 BOPSQJWFPTUVMK-VSZNYVQBSA-N 297.398 3.881 30 20 CHED Cn1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c1-c1ccccc1 1347230366 GDAYNCASLHSXNZ-ZFWWWQNUSA-N 294.354 3.541 30 20 CHED CCCCCC[C@@H](C)C(=O)[C@@H](C#N)c1nccn1CC 1347338078 OSQSMNZLZKTJGS-ZIAGYGMSSA-N 275.396 3.686 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2ccc(OCC#N)cc2)CS1 1343628213 XQPOMPRTFJFZRI-ZFWWWQNUSA-N 276.405 3.531 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](C)C1 1507853660 KHHBSZZTYMKWBX-UTUOFQBUSA-N 296.846 3.636 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CCC(CC)CC1 1359149408 YRCCCLGHPWMEFA-UHFFFAOYSA-N 294.830 3.534 30 20 CHED C=C(C)CCC(=O)Nc1cccc(N2CCCC2)c1 1354052698 NLPBAFXRNFWFGZ-UHFFFAOYSA-N 258.365 3.582 30 20 CHED C#CC[C@H](C)OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 1516697358 WREHTBYSXNYENA-NSHDSACASA-N 297.329 3.820 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 1516844580 OYBVRLVCCZVHQU-QPKOPYBWSA-N 289.762 3.679 30 20 CHED CCCC[C@@H](C(=O)N1CCc2c(C#N)cccc21)C(C)C 1529231679 ICJUVGMCONPTMV-OAHLLOKOSA-N 284.403 3.910 30 20 CHED CCCC[C@H](S[C@H](C)c1cccc(C#N)c1)C(=O)O 1609966168 FHMDWKAIGXWGGG-RISCZKNCSA-N 277.389 3.996 30 20 CHED C=C[C@H](N[C@H](C)c1ccccc1Oc1ccccc1)C(=O)O 1602816717 PVUPLZAMOQCZDD-CJNGLKHVSA-N 297.354 3.769 30 20 CHED N#CCC1(COc2ccc(F)c(C(F)(F)F)c2)CC1 226459286 JZWMLGVYJNWJPL-UHFFFAOYSA-N 273.229 3.917 30 20 CHED O=C(O)CC1CC(=NNc2cc(Cl)ccc2Cl)C1 1601941938 WMVBWWIQMLBMFR-UHFFFAOYSA-N 287.146 3.646 30 20 CHED CCCCCCCCc1nc(-c2cc(C(=O)O)co2)no1 1605267256 IBXQVXAQYRZJDW-UHFFFAOYSA-N 292.335 3.931 30 20 CHED Cc1ccc(CSCc2ccccc2C(=O)O)cc1C#N 1600422706 UWPDNQSNCKQATQ-UHFFFAOYSA-N 297.379 3.998 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2cc(C(=O)O)cs2)c1 1600388179 FCBIBLOVSKXZJD-AATRIKPKSA-N 286.352 3.959 30 20 CHED CO[C@H](CSc1ccccc1C#N)Cc1ccccc1 1472990302 VTMQWSQJQBBXHP-INIZCTEOSA-N 283.396 3.908 30 20 CHED N#Cc1cccc(NCCc2ccc(Cl)cc2)c1 227609296 ATUJHAXIDKGKQP-UHFFFAOYSA-N 256.736 3.866 30 20 CHED C=C(CNC(=O)NC[C@H](C)C(C)(C)C)c1ccccc1 1470421100 WXYXZSOLJPGFMF-AWEZNQCLSA-N 274.408 3.681 30 20 CHED C[C@@H]1C[C@H](OC(=O)c2sccc2C#N)CC(C)(C)C1 1543202290 GRMGGSNDFSYJHX-PWSUYJOCSA-N 277.389 3.991 30 20 CHED Cc1nc(Nc2cn(C)nc2C2CCCCC2)ccc1C#N 1559196376 PXGGFKAOCIENIY-UHFFFAOYSA-N 295.390 3.787 30 20 CHED N#Cc1cccc(CN[C@@H](C2CCCCC2)C2CCC2)n1 1621407872 KQNDYWONOHQTEZ-SFHVURJKSA-N 283.419 3.792 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccccc1CC#N 1629156084 VJSIUJQJLXFRPQ-HUUCEWRRSA-N 284.403 3.699 30 20 CHED C=CCCOCCNCc1ccc(F)cc1C(F)(F)F 120872078 ZNESQZZAHBYVEM-UHFFFAOYSA-N 291.288 3.527 30 20 CHED CCCC[C@@H](CC)CCCN(C)c1ncncc1C#N 1642957802 JFPRSYBTRMJEFY-CQSZACIVSA-N 274.412 3.781 30 20 CHED N#CCc1cccc(NC(=O)NCc2ccccc2Cl)c1 1649406062 BLWZUVKXFHWEDT-UHFFFAOYSA-N 299.761 3.728 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1CC1(CC#N)CC1 1660269331 DRVGVOISLGQQOT-DOTOQJQBSA-N 268.404 3.948 30 20 CHED CCOc1ccc(NCc2ccc(F)c(C#N)c2)cc1 123832886 MRZUMVLSKDIOSG-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CC(C)[C@H]1CCCN(c2nccc(C#N)c2Cl)CC1 232726589 KBYLAXZWHLGYCL-LBPRGKRZSA-N 277.799 3.869 30 20 CHED CCCCCCC[C@H](CC(=O)O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 1776783165 GSAFTJXHRVPWSL-LUKYLMHMSA-N 293.451 3.992 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)c(F)c1 1777433771 IQYNOKRUVWUZNS-HYXAFXHYSA-N 290.315 3.790 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)c(F)c2)cc1 1776114249 JZAGTULZEAPEPF-UITAMQMPSA-N 284.286 3.728 30 20 CHED COc1cc(C(=O)O)ccc1/C=C1/CCCC(C)(C)C1=O 1777267687 XGRNZVQIINAAOQ-XFXZXTDPSA-N 288.343 3.556 30 20 CHED N#Cc1ccsc1NC(=O)c1nc(Cl)ccc1Cl 14626764 NVSBKSOBEUPRAN-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C[C@H](C(=O)Oc1ccc(C#N)cc1F)c1ccccc1F 158289834 NMSLILIMRODMDO-JTQLQIEISA-N 287.265 3.546 30 20 CHED CC1CCN(Cc2cccc(OCCCC#N)c2)CC1 158852586 YNXYKTHNYLKQBH-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCCOC)cc1 151703928 YONDKKUXQYULNX-ZDUSSCGKSA-N 283.799 3.505 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1F)c1ccco1 152671289 YZYGEXIDUOGSEW-ZZXKWVIFSA-N 250.656 3.968 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 207949350 ZNDOTZYMWJUFAV-CKDIWJPDSA-N 284.403 3.806 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 156266313 IPHIOBYZEXBTMK-CRAIPNDOSA-N 298.430 3.918 30 20 CHED CCn1cc([C@H](C)Nc2ccc(C#N)cc2Cl)cn1 234232625 ZDMXQKJFUFWUTJ-JTQLQIEISA-N 274.755 3.601 30 20 CHED C#Cc1ccc(CNc2ccc(OCC)cc2C)cc1 809595391 KMOFQJFPGARFCA-UHFFFAOYSA-N 265.356 3.987 30 20 CHED C[C@@H](NCc1cc(Cl)ccc1O)c1ccc(C#N)cc1 37508469 IHCIFHXXGRNMIT-LLVKDONJSA-N 286.762 3.768 30 20 CHED CC#CCSCc1ccc(Br)cc1 306508388 ALQVQSBIGIFNOH-UHFFFAOYSA-N 255.180 3.706 30 20 CHED CC(C)C[C@H]1CCN(c2c(F)cc(C#N)cc2F)C1 307773397 KJYPVOCQVQRPRQ-LLVKDONJSA-N 264.319 3.709 30 20 CHED C[C@H](CCC1CC1)Nc1nc(Cl)c(C#N)s1 309522231 ASEWCTCEFXVXTM-SSDOTTSWSA-N 255.774 3.659 30 20 CHED C[C@H]1CN(c2ncc(C#N)cc2Cl)c2ccccc21 513619418 MJHTWTNDFAPZHZ-JTQLQIEISA-N 269.735 3.862 30 20 CHED N#Cc1ccnc(N[C@H](C2CCC2)C2CC2)c1Cl 324781469 IEOLPDQYTVTRGV-CYBMUJFWSA-N 261.756 3.597 30 20 CHED N#CCCC1CCN(C(=O)c2cc(F)ccc2Cl)CC1 335384084 BVGPHLPQCSTTDV-UHFFFAOYSA-N 294.757 3.635 30 20 CHED CC1(C)CN(c2cccc(F)c2C#N)[C@@H]2CCC[C@@H]21 378784497 OUENFZCYYAIKFB-SWLSCSKDSA-N 258.340 3.712 30 20 CHED Cc1cc(C(C)(C)C)ccc1Oc1cc(C#N)ncn1 380419722 WXJSOOVSJKJXGE-UHFFFAOYSA-N 267.332 3.747 30 20 CHED C=CCCSCCN[C@@H](CC)c1ccc(F)cn1 595058277 GEVNHLYVKPRVBN-ZDUSSCGKSA-N 268.401 3.571 30 20 CHED C=CCCCCCCNC(=O)c1ccc(O)c(Cl)c1 394067891 MWQUJSIPRJSQQA-UHFFFAOYSA-N 281.783 3.912 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(F)cc1O 398072209 AIXKWRPTTPSYBU-NEPJUHHUSA-N 251.345 3.927 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Cl)c(Cl)c1 767049615 COURACUBMKXTTG-UHFFFAOYSA-N 270.159 3.981 30 20 CHED N#Cc1ccc(OC(=O)c2ccc3c(c2)CCCC3)cc1 8060680 IRUKZJYEZOXSIU-UHFFFAOYSA-N 277.323 3.656 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2sccc2C#N)cc1 52028658 UTYMGIJKQXDMBU-LLVKDONJSA-N 284.384 3.673 30 20 CHED CCCCCCCC(=O)Nc1ccc(-c2nnc[nH]2)cc1 109975804 ZCLPTDCZMNNUBD-UHFFFAOYSA-N 286.379 3.771 30 20 CHED CSc1ccc(C)c(C(=O)Nc2cc(C#N)ccc2O)c1 179734347 UHJZFQJHGKKJNV-UHFFFAOYSA-N 298.367 3.547 30 20 CHED C=CCCCC(=O)N[C@H](C)c1cccc(OC(F)F)c1 175326991 LHEVRFPTFRNURQ-LLVKDONJSA-N 283.318 3.822 30 20 CHED N#Cc1cnc(NC(=O)c2cc(Cl)cc(Cl)c2)s1 56939488 NENNBUHULHZNAJ-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CCCCCCCCCCN1CC[C@](C)(C(=O)O)C1 103866495 GUYJKVUXHGSTCE-INIZCTEOSA-N 269.429 3.924 30 20 CHED C=CCOc1ccccc1CN[C@H](C)Cc1ccc(O)cc1 105447893 PPGMMIZSGITIDR-OAHLLOKOSA-N 297.398 3.678 30 20 CHED Cc1cc(CNc2ccc(F)c(C#N)c2)c(C)s1 51636273 KXUHRYIUTUPMKS-UHFFFAOYSA-N 260.337 3.988 30 20 CHED CCCCOc1cccc(NC(=O)c2cccc(C#N)c2)c1 53178520 CZNYIQNJDQYCHG-UHFFFAOYSA-N 294.354 3.989 30 20 CHED COc1ccc(Cl)cc1NC(=O)c1sccc1C#N 52027799 UIXLBPREIZWERC-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCCOc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 171647560 QOIAERDPNORHKK-UHFFFAOYSA-N 294.354 3.528 30 20 CHED Cc1cccc(CC(=O)Nc2sc3c(c2C#N)CCC3)c1 171151320 CAQSZZJKWZXLGR-UHFFFAOYSA-N 296.395 3.598 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](c1ccccc1C)C(C)C 112191066 QPFNJDCXHJBYMV-WBVHZDCISA-N 289.419 3.790 30 20 CHED CCOc1ccc(C#N)cc1NCc1cc(C#N)ccc1F 178331997 VMRFZKVTENTUJB-UHFFFAOYSA-N 295.317 3.580 30 20 CHED CC(C)(C#N)C(=O)NCC1(c2ccccc2)CCCCCC1 170777268 SOTNKSDIKANKSP-UHFFFAOYSA-N 298.430 3.945 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)NCCCCC#N)c1C 176387246 LXHRKZLDIOSTSG-QGZVFWFLSA-N 299.418 3.844 30 20 CHED O=C(/C=C/c1cccs1)c1cccc(N2CCOC2=O)c1 60095096 ZXCYTXXJPCVDJA-VOTSOKGWSA-N 299.351 3.601 30 20 CHED C[C@H]1C[C@H](CC(=O)N2CCC(C#N)CC2)CC(C)(C)C1 66642768 UVRRRYDPZRVAHU-DZGCQCFKSA-N 276.424 3.601 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccc(C)s2)c1 302108280 OMAIEEHTRWXZBX-UHFFFAOYSA-N 270.357 3.743 30 20 CHED C=CCCNc1ccc(C)cc1OCC(F)(F)F 303906324 TWBAGFSQEBJWBN-UHFFFAOYSA-N 259.271 3.924 30 20 CHED C=CCCCC(=O)Nc1cccc(NC(=O)C(C)C)c1 175256056 AVZYWCSYSVMJFC-UHFFFAOYSA-N 274.364 3.576 30 20 CHED N#Cc1cccc(C#N)c1N1CCC2(CCCCC2)CC1 302906249 WRGFINXGUMSVPQ-UHFFFAOYSA-N 279.387 3.981 30 20 CHED C[C@H](NCc1cc(C#N)cs1)[C@H](C)c1ccccc1 177708967 XIHLEKIWRNFXFM-STQMWFEESA-N 270.401 3.902 30 20 CHED CC(C)[C@H](NCCCC(C)(C)C#N)c1nc(C2CC2)no1 179822058 BJRQIYJUDLQUDI-ZDUSSCGKSA-N 290.411 3.564 30 20 CHED CC(C)(C)c1nc(CCNc2ccc(C#N)cc2)cs1 301850932 AKWJPPOBDLTEKZ-UHFFFAOYSA-N 285.416 3.967 30 20 CHED COc1cccc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)c1 66405373 WALTVTJTPUISCG-HJWRWDBZSA-N 284.359 3.612 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccccc1)C(C)(C)C 123572967 IBQGLJNQCGBVTH-HOTGVXAUSA-N 261.409 3.691 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)ccc2O)c(OC)c1 34805299 GBECLVFJNGNKHY-TWGQIWQCSA-N 298.338 3.614 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccccc2N(C)C)cc1 33123693 BCFAHYFRBMUJON-UHFFFAOYSA-N 296.370 3.570 30 20 CHED C=CCC[C@H](C(=O)NC[C@@H](C)SC)c1ccccc1 188765756 MRXSZVHIZQEEEE-HIFRSBDPSA-N 277.433 3.604 30 20 CHED CCCC[C@H](CC)C(=O)N(CCC#N)Cc1cccnc1 302223440 SSPXSVQUGJJPCU-INIZCTEOSA-N 287.407 3.540 30 20 CHED CCOc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1OC 185726240 ZFEAOOUPEQPXGD-OLZOCXBDSA-N 274.364 3.588 30 20 CHED CC[C@@H](C#N)Sc1nnc(C2CC2)n1Cc1ccccc1 127141249 GPRANBIABDAJCI-AWEZNQCLSA-N 298.415 3.598 30 20 CHED C=C(C)CN(C)C(=O)[C@H](c1ccccc1)[C@@H](C)CC 180396213 XBWDQPXQXOLHCQ-HOCLYGCPSA-N 259.393 3.851 30 20 CHED C=CCC[C@@H](C)NCCc1ccc(-c2nc(CC)no2)cc1 185987513 HDGWMCFUAVWWSF-CQSZACIVSA-N 299.418 3.786 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1ccc(F)cc1F 120867737 XHLQTTIYNKOWKR-VMPITWQZSA-N 269.250 3.733 30 20 CHED CCCCCN(C(=O)NC[C@@H](C)C#N)[C@H](C)CCC 182758466 VGGGYVQGSOMQTF-UONOGXRCSA-N 267.417 3.536 30 20 CHED COc1ccnc(CSCc2ccc(F)cc2C#N)c1 127474737 YUDHOTLFNXRZBF-UHFFFAOYSA-N 288.347 3.534 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1nc(C(C)(C)C)cs1 411525564 CFIWDARDLVDGJD-WDEREUQCSA-N 265.426 3.783 30 20 CHED CS[C@@H](C)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187296724 SMIQQHJGKGCCPG-FUJMWEONSA-N 296.480 3.743 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 414103181 NKFVXRLGOUSEQX-RYUDHWBXSA-N 296.436 3.715 30 20 CHED C=CC1CCN(C(=O)Nc2cc(F)c(OC)cc2C)CC1 186736635 KTAOEIYQIIPPHQ-UHFFFAOYSA-N 292.354 3.573 30 20 CHED C[C@@H](NC(=O)Cc1ccccc1Cl)c1cccc(C#N)c1 75277150 LJLTXEJFVKJUGW-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)[C@H](C)C(C)C 181103938 OIOFPKGJZGZJFS-UONOGXRCSA-N 254.418 3.807 30 20 CHED CC#CCCCC(=O)N[C@H](CCC)c1ccccc1 184991373 XVPITCJVHJAPTP-MRXNPFEDSA-N 257.377 3.838 30 20 CHED Cc1cc(C)cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 31436307 ROXCWXHOAUXMPY-AWEZNQCLSA-N 278.355 3.666 30 20 CHED CN(CCCC(C)(C)C#N)Cc1cc(F)c(F)c(F)c1 180489168 PUYPGXXLWKVEIN-UHFFFAOYSA-N 284.325 3.866 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(C#N)CC2)CC1 187435025 CFAZHGSHLXBYES-CVEARBPZSA-N 291.439 3.536 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1c(F)cccc1F 182608625 TYGODSXJCOBBKS-NWDGAFQWSA-N 281.346 3.929 30 20 CHED CC[C@H](O)c1ccc(OCc2ccc(C#N)cc2F)cc1 35199437 SGYSGPMZQWDVHS-KRWDZBQOSA-N 285.318 3.720 30 20 CHED Cc1ccccc1C1CCN([C@@H](C)CCC#N)CC1 411255682 QDOGVYKXQKTSOW-HNNXBMFYSA-N 256.393 3.867 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1cccc(CC#N)c1 77308142 GJGBVFPSOOUDIH-DOTOQJQBSA-N 284.403 3.841 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 413143902 MHGROZRSMZNGQQ-ZWKOTPCHSA-N 290.366 3.715 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccc(F)cc1F)C(C)C 185842527 LLIJFRHMFSISIF-QGZVFWFLSA-N 293.357 3.972 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N1CCCC(C)(C)[C@@H]1C#N 451202732 NYHZHEILPDKDCK-QWRGUYRKSA-N 290.329 3.506 30 20 CHED C=CCCS[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O 419422102 LTTMEUSJNMANHE-IUODEOHRSA-N 293.407 3.797 30 20 CHED C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 70981921 IIXNFXFJZLJLLS-MRXNPFEDSA-N 293.414 3.887 30 20 CHED CC(C)(C#N)COC(=O)c1cnc(-c2ccccc2)s1 180107813 ZPWIVCUUVWLFNG-UHFFFAOYSA-N 286.356 3.517 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)CCc1cccc(F)c1 410140263 QFRZNGPAJJMXRF-CJNGLKHVSA-N 277.383 3.865 30 20 CHED CCON=C(C)c1cc(C)c(Br)s1 379377407 XLZCMVSDYOFVMV-UHFFFAOYSA-N 262.172 3.580 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1O 130762046 KQICZZXUNZUCHV-UHFFFAOYSA-N 286.762 3.549 30 20 CHED C=CCC[C@H](NC(=O)CC(F)(F)F)c1ccccc1 133930084 VJTYMFKFJODBRQ-LBPRGKRZSA-N 271.282 3.763 30 20 CHED CC1(C)CCC[C@H](/N=C(/O)c2cc(O)nc(C3CC3)c2)C1 329946787 GPJLJNNYPJOUBY-ZDUSSCGKSA-N 288.391 3.938 30 20 CHED C=CCC[C@H](N[C@@H]1COCc2ccccc21)C1CC1 417365613 NXOBTDLJUMOXIC-DLBZAZTESA-N 257.377 3.592 30 20 CHED CC[C@@H]1C[C@@H](/C(O)=N/CC2(C3CC3)CCC2)CC(O)=N1 329765883 XLSSBMMQEWTHFP-DGCLKSJQSA-N 278.396 3.668 30 20 CHED CC(C)(C#N)CCCCN1C[C@H](O)C[C@@H]1c1ccccc1 411926623 QDMNKIZPHVMODE-IAGOWNOFSA-N 286.419 3.514 30 20 CHED N#Cc1ccc(CNCc2ccc(F)c(Cl)c2)s1 135689225 GDKDVTNINFTASE-UHFFFAOYSA-N 280.755 3.702 30 20 CHED CSc1cc(NC(=O)N(C)C[C@H](C)C#N)ccc1Cl 417296549 QMPWGUQQICXKKU-SECBINFHSA-N 297.811 3.685 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)o1 506995091 PMFGTGJTMUIRPW-GJZGRUSLSA-N 294.354 3.607 30 20 CHED C[C@H]1CC(C)(C)C[C@H]1NCc1ccc(OCC#N)cc1 193131537 GIMLQLCHZDTYAT-XJKSGUPXSA-N 272.392 3.503 30 20 CHED CCN(CCC#N)C(=O)[C@@H](CC1CCCC1)C(C)C 133369471 ANIAZWSDHRWZRW-HNNXBMFYSA-N 264.413 3.601 30 20 CHED N#Cc1cccc(NCc2nc3c(s2)CCCC3)c1 611530185 DXXNJUNPJOJLIG-UHFFFAOYSA-N 269.373 3.506 30 20 CHED CCC(CC)[C@@H]1C[C@H](/N=C(/O)C2CCC(=O)CC2)CCO1 329240370 MQSIVSKHHPDTSL-ZBFHGGJFSA-N 295.423 3.686 30 20 CHED COc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1 223627738 PMHNQDQLCOOHRP-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=CCCCCCSc1nnc(-c2ccccn2)n1C 195443556 CEJOVGDVDJKBFP-UHFFFAOYSA-N 288.420 3.716 30 20 CHED Cc1c(Br)cccc1N[C@H]1CC[C@H](C#N)C1 381356637 DHYAWLNZPLCUOD-QWRGUYRKSA-N 279.181 3.862 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 424667228 PAYSKYXDMJLAQX-LALPHHSUSA-N 290.794 3.847 30 20 CHED Cc1ccc([S@@](=O)CCCC(C)(C)C#N)cc1C 87611183 FRTMRWISYBHFAH-GOSISDBHSA-N 263.406 3.741 30 20 CHED N#CCC1CCN(c2nc(-c3ccccc3)cs2)CC1 336602399 SRPTVXYHUDOXLK-UHFFFAOYSA-N 283.400 3.940 30 20 CHED C=CCC[C@@H](NC(=O)C[C@H](C)n1cccn1)c1ccccc1 424730845 FIDPNMJCOULNHL-DOTOQJQBSA-N 297.402 3.658 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1ccc(Cl)cc1 80117093 BFHSTBYLCFDLSB-JTQLQIEISA-N 257.724 3.780 30 20 CHED CCC1(CNC(=O)Nc2cc(C#N)ccc2C)CCC1 84320003 UMKJDJQSUZYSHI-UHFFFAOYSA-N 271.364 3.569 30 20 CHED CN(Cc1ccoc1)c1ccc(C#N)c(C(F)(F)F)c1 48910903 VVEGGTSDMPVDSU-UHFFFAOYSA-N 280.249 3.806 30 20 CHED C=CCCCN[C@@H](C)c1ccccc1OC(F)F 385458590 UAMNHAWBGFBDFD-NSHDSACASA-N 255.308 3.905 30 20 CHED N#Cc1ccn(Cc2cc(Cl)ccc2Cl)c1 339202688 VLNXWBVZEVCWQF-UHFFFAOYSA-N 251.116 3.715 30 20 CHED CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2C#N)c2ccccc21 331707071 DFMIKGYFJUOJTH-CWRNSKLLSA-N 297.402 3.648 30 20 CHED N#Cc1cc2c(nc1SCC1(C#N)CCC1)CCCC2 333676178 JZISQJULGDSRRC-UHFFFAOYSA-N 283.400 3.618 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(OC)c(O)c2)cc1 97993419 SBNCCEMUPIYIGH-WMZJFQQLSA-N 298.338 3.696 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCOC3(CCCC3)C1)CC2 336004744 VSLZHNXZSHQZCK-AEFFLSMTSA-N 296.414 3.627 30 20 CHED CCC(=O)c1cccc(N=C(O)N[C@@H]2CC[C@H](C)C2)c1 331290549 JYIVZJWXVMNIRO-SMDDNHRTSA-N 274.364 3.603 30 20 CHED Cc1ccncc1CCCN(C)[C@H](C)c1cccc(C#N)c1 425364424 GJSBBBUDFILLIB-MRXNPFEDSA-N 293.414 3.887 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H](CC)CSC)c1ccccc1 91149557 ZPURAEXKHVXJEG-ZBFHGGJFSA-N 291.460 3.946 30 20 CHED CC(C)(C)c1ccccc1NC(=O)N1CCC(C#N)CC1 96722177 ULJKPSIWXVVPIU-UHFFFAOYSA-N 285.391 3.752 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 337887078 DWGUMJPWVWTRBB-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED CC[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 339048397 VVKUWXIJQZIGRF-QGZVFWFLSA-N 278.355 3.634 30 20 CHED C=CCC1(c2nc(-c3ccc(O)c(C)c3)no2)CCC1 519784692 CUTTVGVZBKCKLR-UHFFFAOYSA-N 270.332 3.748 30 20 CHED C=CCn1c(C)cc(C(=O)CSCC(C)C)c1C 338171674 NHWYLMDLAVUORA-UHFFFAOYSA-N 265.422 3.863 30 20 CHED C=C(C)COc1cc(CN[C@H]2CCC[C@H]2C)ccc1OC 237181176 AHTIMUOXTVCVBC-ZBFHGGJFSA-N 289.419 3.928 30 20 CHED Cc1nc(C(C)C)oc1COc1ccccc1C#N 436473808 IIZYWOVMSQIRJY-UHFFFAOYSA-N 256.305 3.557 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/C[C@H]1CC=CCC1 330028577 OSGHUYDWMQCXCX-ZDUSSCGKSA-N 274.364 3.596 30 20 CHED N#Cc1ccc(NCC#Cc2ccc(F)cc2)c(Cl)c1 433484245 PYGSJDWGGBCZRJ-UHFFFAOYSA-N 284.721 3.814 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](c1cccnc1)C(C)C 436048026 JEPOTGQNMOQYMF-GOEBONIOSA-N 274.408 3.682 30 20 CHED C[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)c1nccs1 249280058 NGKNKJAEMMRMRV-CHWSQXEVSA-N 285.416 3.811 30 20 CHED Cc1ncccc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 341760581 DNUWUGLFQOMTGG-UHFFFAOYSA-N 293.370 3.565 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccccc1C#N 246395983 OPXJLDDWWYZDCF-XPHXBQGDSA-N 294.398 3.751 30 20 CHED C[C@@H](c1ccccc1)N1CCO[C@@H](c2cccc(C#N)c2)C1 341802276 YPXWVXJESQNPNL-HNAYVOBHSA-N 292.382 3.693 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)s1 437497436 MMFWAERRWJNQEN-WFASDCNBSA-N 293.432 3.583 30 20 CHED C=CCCN(C)Cc1cnc(C2CCCC2)s1 343490760 LUNCRUFJLIYATE-UHFFFAOYSA-N 250.411 3.809 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[C@@H](F)C1 348323159 JLFMLYHKKRWJKY-INMHGKMJSA-N 272.367 3.806 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1 255737320 XYAPFIUBHOEAQM-VURMDHGXSA-N 283.352 3.662 30 20 CHED CCC1(NC(=O)Nc2ccc(CC#N)cc2)CCCC1 296271378 IKFIHGAHSAYDIB-UHFFFAOYSA-N 271.364 3.597 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)s1 538398280 IPXZBRSFFVIOOA-RWMBFGLXSA-N 260.406 3.678 30 20 CHED COc1ccc(N=Cc2cccc(OC)c2O)cc1Cl 254479280 PRLKHHWLDYCDKB-UHFFFAOYSA-N 291.734 3.813 30 20 CHED CCC(CC)(CC)[S@@](=O)CCCC1(C#N)CCOCC1 346508094 NXRWVHLDHJEPGA-FQEVSTJZSA-N 299.480 3.804 30 20 CHED CN(Cc1ccc(C#N)cc1F)c1cccc2cccnc12 340214021 DUFGSQXGJRXIFE-UHFFFAOYSA-N 291.329 3.882 30 20 CHED O=C(/C=C\c1ccn(-c2ccccc2)n1)c1ccsc1 255182467 XUTFSQRCGDIFKF-SREVYHEPSA-N 280.352 3.830 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)Oc1cccc(F)c1 449169525 OSJZTBFPNURCGL-KTAKPFMOSA-N 290.382 3.655 30 20 CHED C[C@@H](CCC#N)CNCc1ccccc1OC(F)(F)F 602501429 HBWIVDUESCXGOM-NSHDSACASA-N 286.297 3.615 30 20 CHED CC(C)(C#N)CCC[S@](=O)C/C=C\c1ccccc1 255096127 UUGAMQIPSXLWSO-FUKWUPMWSA-N 275.417 3.778 30 20 CHED CC(=O)N1CCCc2cc(-c3ccc(C)c(C#N)c3)ccc21 600794087 NWKGAGKRFKOYKK-UHFFFAOYSA-N 290.366 3.833 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(CCC)[nH]n1 601734002 DKWCMZGAPPJRGC-UHFFFAOYSA-N 289.423 3.571 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2ccccc2C)o1 255640903 OTGXAYXNEIPHQE-NTMALXAHSA-N 284.311 3.661 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3cc(F)cc(F)c3)n2c1 255129177 YDOUMQSBYNNYBD-ARJAWSKDSA-N 298.292 3.817 30 20 CHED Cc1cnc(CN(Cc2ccc(C#N)cc2)CC(C)C)s1 357323344 XENVVRUIFMCHJG-UHFFFAOYSA-N 299.443 3.981 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccccc1C#N 531202338 JPYUJJPLWSZGDD-HNAYVOBHSA-N 276.383 3.936 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2sc(C)cc2C)n1 602355269 KZIFJJSQMHKHJP-UHFFFAOYSA-N 285.372 3.501 30 20 CHED C=CC[C@@H](C)NC(=O)c1ncccc1Oc1ccccc1 442713223 LDSZGLSMFTWUBN-CYBMUJFWSA-N 282.343 3.568 30 20 CHED C=C(CNCc1cc(C)ccc1F)c1ccccc1 604891810 YJBYZEQMVOCNBN-UHFFFAOYSA-N 255.336 3.937 30 20 CHED CCOC(=O)C[C@@H](C)SCC#Cc1cccc(Cl)c1 448097453 OBGKIAGCIRYUBR-GFCCVEGCSA-N 296.819 3.766 30 20 CHED C[C@H]1[C@@H](Cc2ccccc2)CCN1CCCSCC#N 266912268 DPRFMNYGFWPSPC-DOTOQJQBSA-N 288.460 3.586 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 356305733 AGEATFXRTCOCHG-OIISXLGYSA-N 284.403 3.769 30 20 CHED CC(C)(C#N)C(=O)NC1CCC(C)(c2ccccc2)CC1 269089051 ZZUACZHYAVQTHQ-UHFFFAOYSA-N 284.403 3.553 30 20 CHED CN(Cc1ccoc1)c1cc(C#N)ccc1C(F)(F)F 355331970 GMZNQFXPSWAIMQ-UHFFFAOYSA-N 280.249 3.806 30 20 CHED C=CCC[C@H](NC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 448131746 APZJQPCYGNRIOH-XWTMOSNGSA-N 271.404 3.851 30 20 CHED C=CCN(CCC#N)C(=O)C(CC)(CC)c1ccccc1 359434516 HQNJUXMKSNBOLH-UHFFFAOYSA-N 284.403 3.673 30 20 CHED C=CCCC1(C(=O)Nc2cnc([C@@H](C)CC)nc2)CC1 358174268 ASUCBPFLFYTBKD-LBPRGKRZSA-N 273.380 3.675 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 449885214 DAIFIRRTRKRUMR-KGYLQXTDSA-N 297.320 3.890 30 20 CHED C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccsc1 619762685 HZKDGCZAAUZKQX-LBPRGKRZSA-N 299.399 3.522 30 20 CHED CO[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1Cl 613255466 GGVVFUFZXNVKED-HEHGZKQESA-N 292.810 3.699 30 20 CHED C=CCCC(=O)N1CCC(=Cc2cccc(OC)c2)CC1 268454006 JHZRKEBUXQPCKH-UHFFFAOYSA-N 285.387 3.667 30 20 CHED CC1CC(C#N)(C(=O)N2CC3(CCCC3)c3ccccc32)C1 531570483 DLOQNADUTJODPL-UHFFFAOYSA-N 294.398 3.785 30 20 CHED C[C@@]1(C#N)CCCN(c2nc(-c3ccccc3)cs2)C1 612106954 KERYIILWVCNWLQ-INIZCTEOSA-N 283.400 3.940 30 20 CHED Cc1ccc(CCCN[C@@H]2CCC[C@H](C#N)C2)c(C)c1 618562191 FWISTNKZUZZVIC-FUHWJXTLSA-N 270.420 3.908 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc2sccc2c1 610756061 BWFJNKIFNAZDDN-CYBMUJFWSA-N 272.373 3.569 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(OCC)cc2)C1 617789965 YXVMCFLUHOFJTO-AWEZNQCLSA-N 273.376 3.514 30 20 CHED CC(C)CCN(CCC#N)C[C@H]1CCC2(CCCC2)O1 530410728 MFPOFFMNLCKUCV-MRXNPFEDSA-N 278.440 3.740 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)cc1C#N 452683765 OGDQDDBYLFLLSR-CABCVRRESA-N 298.386 3.720 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)N2CC(C)(C#N)C2)c1C 361207508 WYVGUVQQSZDARM-UHFFFAOYSA-N 294.354 3.549 30 20 CHED Cc1ccc2oc(=N[C@H]3CCc4cc(C#N)ccc43)[nH]c2c1 618694074 XNNQXIZSEHLIEO-HNNXBMFYSA-N 289.338 3.529 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@]1(C)CC=CCC1 458621535 ORIMCNQMGSERIR-UKRRQHHQSA-N 250.386 3.529 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(CC(F)(F)F)cc1 454855176 NNFCCADEYMIIBN-UHFFFAOYSA-N 286.297 3.879 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@@H]1CCc2ccccc21 458932861 VRPNSRRTNIBKFI-INIZCTEOSA-N 286.419 3.714 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(C)cc1OCCC 450086040 CKEXIHMLOFINCL-UHFFFAOYSA-N 275.392 3.612 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 454900740 LLAJGCJEIJIPMN-GDBMZVCRSA-N 290.382 3.727 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCCC(C)(C)C1 544621964 OKPNQKFQZAVMJD-STQMWFEESA-N 252.402 3.609 30 20 CHED CC1(C)CN(Cc2ccc(Cl)cc2C#N)C(C)(C)CO1 614167502 QZZLNLBZISIBER-UHFFFAOYSA-N 292.810 3.601 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCOc2c(F)ccc(F)c21 361190384 PAQHJOJBNJFMIM-WDMOLILDSA-N 281.346 3.979 30 20 CHED CCCCCOCC(=O)Nc1ccc(CC#N)cc1Cl 452642512 HUOIDXVRVAUDDD-UHFFFAOYSA-N 294.782 3.551 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2C[C@@H](OC(C)C)C2(C)C)n1 361622392 PWGNERPVAGEJFW-HUUCEWRRSA-N 287.407 3.574 30 20 CHED N#CCCCSCc1ccc(C(F)(F)F)cn1 278030658 WSOQQHGLEUEFRS-UHFFFAOYSA-N 260.284 3.637 30 20 CHED C=CCN(C(=O)NCc1ccc(Cl)c(C)c1)C1CC1 546040634 JFFZRGDILVHFGD-UHFFFAOYSA-N 278.783 3.508 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)NCC(C)(C)CC#N 459252821 CYGZMZSBTKUNSU-KBPBESRZSA-N 279.428 3.536 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(F)c(NC(N)=O)c1 453241584 PPFWPOVMKXPLDU-LLVKDONJSA-N 279.359 3.863 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1cccc(F)c1F 272023614 NPKFGVFFDULOFL-SNVBAGLBSA-N 252.308 3.555 30 20 CHED CCC[C@@H](NC(=O)NCC(C)(C)CCC#N)C1CCC1 458766555 MZMMDCAXCINKJU-CQSZACIVSA-N 279.428 3.584 30 20 CHED Cc1ccc2oc(-c3noc([C@]4(C#N)C[C@H]4C)n3)cc2c1 453163666 ITOLKPPXVXGNTQ-HWPZZCPQSA-N 279.299 3.592 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CCCc1ccc2ccccc2c1 271742354 RJIWMQMSSLVUGJ-HNNXBMFYSA-N 294.398 3.781 30 20 CHED C=C(C)CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 626100476 OOENTJNXWLRRIC-ZDUSSCGKSA-N 274.191 3.583 30 20 CHED C#CCCN1CCC(c2nc(C(C)(C)C)cs2)CC1 378307035 BIHXAFKAFJOURG-UHFFFAOYSA-N 276.449 3.643 30 20 CHED C=CCCOCC(=O)N(C(C)C)[C@H](CC)c1ccccc1 622975648 QJDJFQFMSRJMMA-QGZVFWFLSA-N 289.419 3.967 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC2(CCCC2)C1 466401199 HTTLQBQYPKBVTP-AWEZNQCLSA-N 264.413 3.707 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CCCc1ccccc1Cl 289908828 UAEXIBWTFXGTHZ-MRXNPFEDSA-N 292.810 3.717 30 20 CHED C[C@@H](COCC(F)(F)F)Nc1c(Cl)cccc1C#N 462378403 DDUMDRZLDBAVRJ-QMMMGPOBSA-N 292.688 3.591 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@H]1[C@@H](C)CC 466396728 AWUJHQNCWNXHJZ-KKUMJFAQSA-N 266.429 3.951 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C1CC1 556950918 ACMINJKFWYSWNX-FVQBIDKESA-N 261.409 3.770 30 20 CHED C[C@H]1CCCN([C@@H](C)CNc2c(Cl)cccc2C#N)C1 462781265 XRXBBBGOASOSCL-STQMWFEESA-N 291.826 3.744 30 20 CHED CCCC[C@H](NC(=O)c1ccc(C#N)cc1)C1CCC1 465116541 WGHCLHJGXZFRFC-INIZCTEOSA-N 270.376 3.647 30 20 CHED C=C(C)Cn1c(CC2CC2)nnc1N(C)C1CCCCC1 460946324 BFRLOPZMHLDLHT-UHFFFAOYSA-N 288.439 3.576 30 20 CHED N#Cc1cccc(CN[C@H](c2cccnc2)C2CCC2)c1 280220269 GISRPNZJWDQLHJ-SFHVURJKSA-N 277.371 3.584 30 20 CHED N#Cc1c[nH]c2ccccc2c1=NC1CCC(F)(F)CC1 389915395 BWZUMHHSLGTYFP-UHFFFAOYSA-N 287.313 3.518 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc2c(C)nn(C)c2c1 462871708 RBGTXGBRFNZJTC-RYUDHWBXSA-N 257.381 3.894 30 20 CHED Cc1cccc(N(C)C(=O)[C@H](C)c2cccc(C#N)c2)c1 463715667 OULQPBVWJRNRLK-CQSZACIVSA-N 278.355 3.633 30 20 CHED C[C@H](C(=O)Nc1ccccc1CC#N)c1cccc(F)c1 555526252 WKDAPYDXXHCGPP-LBPRGKRZSA-N 282.318 3.634 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](OC)c1ccc(Cl)cc1 559993905 ZJXGLXYUVROHAF-AWEZNQCLSA-N 295.810 3.746 30 20 CHED C=C(CNC(=O)[C@H](F)c1ccccc1)c1ccccc1 805249980 IXMKUAFMGFCYPJ-MRXNPFEDSA-N 269.319 3.527 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCCC#N 292297173 YPGSSTDVGBFLLL-OLZOCXBDSA-N 292.810 3.984 30 20 CHED C#CC[C@H](NCCCc1cnccc1C)c1ccccc1 290558089 ZLFKNVACTBPABT-IBGZPJMESA-N 278.399 3.677 30 20 CHED C#C[C@H](NC(=O)/C(C)=C\CC)c1ccc(Cl)cc1F 804420923 PXCBTMAAMNIGLL-APFBBLRHSA-N 279.742 3.626 30 20 CHED CCCCCCCCCC(=O)NC[C@@H]1CCOC[C@@H]1C 804616454 FBZIXVKOTYKAHQ-HOTGVXAUSA-N 283.456 3.916 30 20 CHED CC#CC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)CC)CC2 805233763 KWRZTNDXQCFPHR-LLVKDONJSA-N 290.432 3.646 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)[C@@H]1C[C@H]1c1ccccc1 565432009 BMHJMIJPSFKQCG-YSSFQJQWSA-N 290.410 3.883 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1 642049422 NNSVQGYLKLMKNL-GOEBONIOSA-N 287.403 3.902 30 20 CHED N#CC[C@@H](O)CSc1ccc(Cl)c(C(F)(F)F)c1 294974680 OLOIWXWWSKOZRX-SSDOTTSWSA-N 295.713 3.725 30 20 CHED C[C@@H](c1cccc(Cl)c1)S(=O)(=O)CCC(C)(C)C#N 565590684 DYLJNCTYWGLSLI-NSHDSACASA-N 299.823 3.756 30 20 CHED C#C[C@H](NC(=O)C[C@H](C)c1c[nH]c2ccccc12)C(C)(C)C 807884584 PUNSTNNEPMAHKE-GUYCJALGSA-N 296.414 3.826 30 20 CHED C=CCC[C@H](NCCCc1ncccc1C)C1CC1 295856071 BHJFAJKBAPBOHH-KRWDZBQOSA-N 258.409 3.657 30 20 CHED C#Cc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 809639596 OGQNQIFTQOFJQM-HNAYVOBHSA-N 276.383 3.646 30 20 CHED Cc1ccccc1[C@H](NC[C@@H](C#N)CCC#N)C(C)C 564853740 GCRSEXIELYJJDU-NVXWUHKLSA-N 269.392 3.725 30 20 CHED CCc1ccc([C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)cc1 294189335 AXVDNHSAMDQHGX-IFXJQAMLSA-N 296.414 3.900 30 20 CHED C=CCCCCNC(=O)c1ccc(N(C)CCC)cc1 471669125 VIDMQKRRMGRTRL-UHFFFAOYSA-N 274.408 3.619 30 20 CHED CC(=NNc1cccc2ccccc12)c1cn(C)c(C)n1 800811410 UGJDATJIZBPCBN-UHFFFAOYSA-N 278.359 3.718 30 20 CHED C=CCN(CCC#N)Cc1ccc(OCC(F)(F)F)cc1 292047813 AZYBBOFHAZNQBV-UHFFFAOYSA-N 298.308 3.529 30 20 CHED Cc1cc(CN2CC(C)(C#N)C2)ccc1Oc1cccnc1 297471476 RESBOLRJIYXHPW-UHFFFAOYSA-N 293.370 3.528 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1(C(F)F)CCCC1 642728066 CGHKFPVPVVHWTB-LLVKDONJSA-N 274.355 3.608 30 20 CHED Fc1ccc(C=NOC/C=C/Cl)cc1Br 811671957 YMPGKBVVLZBYOE-UOZKWQDASA-N 292.535 3.691 30 20 CHED CC1(C)CC(=NO[C@H]2CCCCO2)c2sccc2O1 814886886 GGFGFDLQLIMZKA-LBPRGKRZSA-N 281.377 3.557 30 20 CHED C#C[C@@H](/N=C\c1ccccc1O)c1ccc(Cl)cc1 811625736 UTQLHTGLJANTPW-JQFNYASXSA-N 269.731 3.839 30 20 CHED Cc1ncccc1CSCc1ccc(F)cc1C#N 811807387 XSNINJRAVVYCGG-UHFFFAOYSA-N 272.348 3.834 30 20 CHED CCCCCC(C)=Nn1c(C)nc2ccccc2c1=O 818212430 QDUAAIFKBWNTSG-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCSc2ccccc21 489991003 UANKUKXMPUTWQJ-AWEZNQCLSA-N 289.444 3.985 30 20 CHED Cc1cnc(C(C)(C)NCc2ccc(C#N)c(C)c2)s1 488300134 OMWGPRMRJCMLQV-UHFFFAOYSA-N 285.416 3.657 30 20 CHED Cc1ccc2c(c1)SCC2=NN[C@H](C)c1ccncc1 819816868 QVESJDACGMCRII-GFCCVEGCSA-N 283.400 3.551 30 20 CHED C[C@H]1C(=NOC2CCC2)CCCN1Cc1ccccc1 814936506 WHHRIVGSIOLFJS-AWEZNQCLSA-N 272.392 3.596 30 20 CHED C=CCOc1ccc(C(=O)NCC(C)(C)CC=C)cc1 489908056 PJBREEDKVVJDIG-UHFFFAOYSA-N 273.376 3.584 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)Sc1ccccc1 489934951 NFLSJPGSRCCCPU-CYBMUJFWSA-N 277.433 3.886 30 20 CHED C=C(C)CNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 655009073 ABILNGKPVQEGCV-UHFFFAOYSA-N 297.320 3.819 30 20 CHED C[C@@H](C#N)CNC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 577813042 FYWMPXCLVLRJSG-BBRMVZONSA-N 299.418 3.549 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1ccc2ccccc2n1 813057552 MNQIKCUIHYFFMD-RBSFLKMASA-N 278.355 3.847 30 20 CHED CCCC(=NOCCC(F)(F)F)c1ccccn1 814909980 NNDQPUCVWPEMBA-UHFFFAOYSA-N 260.259 3.555 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCC[C@@H]1CCC[C@H](C)C1 815338110 NCJVGXBTTJIBTP-JSGCOSHPSA-N 286.375 3.635 30 20 CHED C=C(CC)COC(=O)Cc1cccc(Cl)c1F 811334416 QAZGLQSEAZPLGW-UHFFFAOYSA-N 256.704 3.531 30 20 CHED C=CCCCCCCCNC(=O)N[C@H](C)[C@@H]1CCCOC1 811901346 AEEYRUTWUZFBCM-HZPDHXFCSA-N 296.455 3.627 30 20 CHED C/C(C=NOCCC1CC1)=C/c1cccc([N+](=O)[O-])c1 814246344 IXNODBWJPHMWJL-UMXABQDKSA-N 274.320 3.801 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CS[C@@H](C(C)C)C1 488591395 QGNXDGHXTBVHDK-IUODEOHRSA-N 276.405 3.509 30 20 CHED Cc1cc(C)c(C=NN[C@@H](C)c2ccncc2)cc1C 819814964 JRPWOCFIEPUYRB-HNNXBMFYSA-N 267.376 3.692 30 20 CHED Cl/C=C/CON=C1CCSc2ccccc21 811669037 LVDSELAURCXXJV-GXXKBZNGSA-N 253.754 3.656 30 20 CHED CC#CCCCc1nc(-c2cccc3cnccc23)no1 578817273 ATZVETMBDMWXBK-UHFFFAOYSA-N 277.327 3.631 30 20 CHED N#Cc1cc(F)cc(OCc2nc3ccc(F)cc3o2)c1 578670907 JXIIIWAKYMPAJR-UHFFFAOYSA-N 286.237 3.557 30 20 CHED CC(=NNCCCOc1ccccc1)c1ccccc1C 729149678 NQAFWLAAUIZDRJ-UHFFFAOYSA-N 282.387 3.778 30 20 CHED C=CCC1(NCc2cc(C)cc(C)c2)CCOCC1 657632950 DOHCLSOICPWFCW-UHFFFAOYSA-N 259.393 3.518 30 20 CHED C#CC[C@@H](OC(=O)/C=C\c1ccccc1F)c1ccccn1 727775376 FXUFEGRZOBJACQ-WFTPILKQSA-N 295.313 3.542 30 20 CHED N#Cc1c(NCc2cnc(C3CC3)o2)cccc1C(F)F 571297272 KGEHGYPNSPIJCQ-UHFFFAOYSA-N 289.285 3.973 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)CCCCCC#N 588651563 UTWWWGQLEVFQOM-CABCVRRESA-N 294.439 3.513 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1cccc(C#N)c1 497653531 XAAMDUXLDILEJK-PBHICJAKSA-N 299.418 3.574 30 20 CHED N#Cc1nc(SCc2ccccc2)sc1Cl 820598258 AYCVLNOKJFKTMA-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C=C(C)CN(C)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 497831187 HOCYWUGEWIRLDH-VXGBXAGGSA-N 292.345 3.573 30 20 CHED CC(C)c1ocnc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 824107388 GRHRXMUWXQSEBO-GFCCVEGCSA-N 297.358 3.503 30 20 CHED CCc1onc(C)c1C=NNc1ccc(Cl)c(OC)c1 901231208 FPIRJWRMQMNICU-UHFFFAOYSA-N 293.754 3.653 30 20 CHED C=CC[C@@H]1N(Cc2ccc(C(=O)O)o2)CCCC1(C)C 902546536 WQFJKCSUTWWNNU-AWEZNQCLSA-N 277.364 3.545 30 20 CHED COc1ccccc1[C@H](C)SCc1cc(C#N)ccn1 901498052 XFEMBISRAWXMQX-LBPRGKRZSA-N 284.384 3.956 30 20 CHED C=CCCC[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 581755636 WNKYHGKJJQTWDU-DYVFJYSZSA-N 254.377 3.880 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1 833310065 MDVAEAJACYAOBT-KRXBUXKQSA-N 288.249 3.559 30 20 CHED CC(C)c1ccc(/C=C2/CCn3ccnc3C2=O)cc1 901531718 MTOQDNZLGBNZSO-PTNGSMBKSA-N 266.344 3.677 30 20 CHED COc1cc(C=NN[C@H](C)C(F)(F)F)cc2ccccc12 834998333 FTFRIMLTTMPLDJ-SNVBAGLBSA-N 296.292 3.723 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccc(O)c(C)c1 498536906 NEGVTUHYDQAKSQ-UHFFFAOYSA-N 295.382 3.572 30 20 CHED C=CCC1(N[C@H]2CCC[C@H](CC)C2)CCOCC1 668552549 OMCCOQBWGKTKDY-GJZGRUSLSA-N 251.414 3.670 30 20 CHED C=C(CC)CN[C@@H](C(=O)O)c1ccc(Cl)cc1Cl 833371345 ZNUZFHMUKRIBFL-GFCCVEGCSA-N 288.174 3.675 30 20 CHED C=C(CC)CNC(=O)N1CCC(c2ccc(F)cc2)CC1 838720085 NDHRQZPLMOAFJL-UHFFFAOYSA-N 290.382 3.681 30 20 CHED CC[C@H](NC1CCN(C(C)(C)C)CC1)c1cccc(C#N)c1 902852830 DBPZRLCIBXHFLO-SFHVURJKSA-N 299.462 3.862 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2nc(CCC)cs2)C1 666577481 IHLJROMVGFQHHU-GFCCVEGCSA-N 293.436 3.916 30 20 CHED CCSCCC=NNc1cc(Cl)ccc1[N+](=O)[O-] 835009353 RHQSRDCSOSXZKO-UHFFFAOYSA-N 287.772 3.789 30 20 CHED CCC(=NNc1cnnc2ccccc12)c1cccs1 733750167 OMMVKDSRWUTQEG-UHFFFAOYSA-N 282.372 3.918 30 20 CHED C=CCc1cccc(F)c1OCc1conc1CC 580094325 NUZZBJKCXAIWJP-UHFFFAOYSA-N 261.296 3.684 30 20 CHED C=CCOc1ccccc1C(=O)N(CC)Cc1ccoc1 588052658 PLBQVEQEMHBGAZ-UHFFFAOYSA-N 285.343 3.507 30 20 CHED C=CCC1(C(=O)OCc2nnc(C(C)C)o2)CCCCC1 838151273 CLGFRVNAMPCBEZ-UHFFFAOYSA-N 292.379 3.763 30 20 CHED Fc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 734301676 KSLNVWFSLLUNAB-UHFFFAOYSA-N 268.213 3.689 30 20 CHED CCn1cc(/C=C/C(=O)c2cccc(C3CC3)c2)cn1 834444591 IULPCIJBBDTQAY-RMKNXTFCSA-N 266.344 3.677 30 20 CHED C=CCC1(C(=O)OCc2c(C)nn(C)c2Cl)CCCC1 835171803 HVSYWKGWVBQZCD-UHFFFAOYSA-N 296.798 3.562 30 20 CHED CCCCCn1nc(C)cc1NC(=O)CCCCCC#N 588630818 VJTVCEQIFKSWMT-UHFFFAOYSA-N 290.411 3.794 30 20 CHED Cc1ccc(CNN=Cc2cnc(C(C)C)s2)cc1 835008495 JYXIJTMFSWNLBD-UHFFFAOYSA-N 273.405 3.699 30 20 CHED COc1ccccc1NC(=S)NN=CC1CCCCC1 915926145 XPAJOUNWPVTKJV-UHFFFAOYSA-N 291.420 3.548 30 20 CHED C=C(C)CNC(=S)N1C[C@H](c2ccccc2C)C[C@H]1C 737447832 GTERGDFHFZBMDE-HUUCEWRRSA-N 288.460 3.623 30 20 CHED C#CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730484747 BXPVZFFUNDAURJ-QWHCGFSZSA-N 296.197 3.579 30 20 CHED C=CCNc1ncc(C(=O)N2CCCCCCCC2)s1 839786253 QZTAYNFWEAOFQX-UHFFFAOYSA-N 293.436 3.537 30 20 CHED COc1ccccc1/C(C)=C\C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839056221 ZSLFCEOGQHDSIS-TZNPFNDMSA-N 299.370 3.724 30 20 CHED C#CCN(C(=O)CSCCC(C)C)C1CCCCC1 743689765 ALDIVQVSXCVSCK-UHFFFAOYSA-N 281.465 3.560 30 20 CHED CCCCO[C@@H]1C[C@H](/N=C\c2ccccc2O)C1(C)C 749008299 UVDKDDDNQJTAQQ-XZGFPNQCSA-N 275.392 3.795 30 20 CHED C[C@H]1CCc2sc(NC(=O)C(F)F)c(C#N)c2[C@@H]1C 844546949 BXRLJELIHORVOM-NKWVEPMBSA-N 284.331 3.509 30 20 CHED N#CCC1(COC(=O)c2ccc(OC3CCCC3)cc2)CC1 744276409 XCGQMIFDVVTOFA-UHFFFAOYSA-N 299.370 3.859 30 20 CHED C=C(C)COC(=O)COc1ccc(C(C)C)c(C)c1 916588101 HWLANXZFRGUAIP-UHFFFAOYSA-N 262.349 3.617 30 20 CHED CC[C@H](C#N)C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 593448697 WBCOYGWDUDMVOB-SNVBAGLBSA-N 298.308 3.606 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1ncnc2ccccc12 917733174 LJGQECVDNQZVRF-CQSZACIVSA-N 291.379 3.857 30 20 CHED CO[C@@H](C#N)c1ccc(-c2cccc(CN(C)C)c2)cc1 844230474 YSIWOUNPFZMCDV-SFHVURJKSA-N 280.371 3.626 30 20 CHED CC1(C)CN(c2nc(C#N)c(Cl)s2)[C@H]2CCC[C@H]21 596248250 VADDQNWNFAPIKK-SCZZXKLOSA-N 281.812 3.683 30 20 CHED C=C(Cl)COC(=O)[C@H](C)CCc1ccccc1F 745575661 CYJUITQHCCZBFF-SNVBAGLBSA-N 270.731 3.690 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@](C)(CN)C1 841857582 IWGOZZZDGUAEBH-QGZVFWFLSA-N 297.487 3.507 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)C#Cc1ccccc1 747223137 YMNWTEMCGKFUCH-QGZVFWFLSA-N 291.394 3.865 30 20 CHED C#CCC(C)(C)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 843773733 DVEWXOWWJTUNNR-OAHLLOKOSA-N 269.388 3.646 30 20 CHED C[C@@H](SCc1cc2n(n1)CCC2)c1ccc(C#N)cc1 593188492 JQZYNQKHABPPIX-GFCCVEGCSA-N 283.400 3.695 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCc2c(Cl)cccc21 684766289 QEOFTNFUQRTNSR-JLZZUVOBSA-N 291.822 3.898 30 20 CHED C#CCCCNCc1ccc(OCc2cccc(F)c2)cc1 742382969 PPFFKWNOIPSRKF-UHFFFAOYSA-N 297.373 3.908 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 683243013 QXUJJZNKVRCPQC-SSDOTTSWSA-N 293.235 3.678 30 20 CHED Fc1ccc(F)c(CNN=CC2CCCCC2)c1 915979056 NWTZNDJALIRYPT-UHFFFAOYSA-N 252.308 3.621 30 20 CHED C/C(=C/c1ccco1)C(=O)O[C@H](C#N)C1CCCCC1 847692590 QQEAPVWDOMSFEO-KUGGDMIFSA-N 273.332 3.699 30 20 CHED COC[C@H](CC(C)(C)C)N[C@H](C)c1cccc(C#N)c1 593603746 YASYEYWLMFISOC-CJNGLKHVSA-N 274.408 3.660 30 20 CHED CNc1ccc(C(=O)OCCC2(C#N)CCCCC2)cc1 840441238 PKUCGGQKZWXUEO-UHFFFAOYSA-N 286.375 3.749 30 20 CHED CCc1cccc2c(C=NNc3cncc(Cl)n3)c[nH]c12 914560047 OMFSDWGUINXJHE-UHFFFAOYSA-N 299.765 3.620 30 20 CHED CCCCCCCOC(=O)c1c(C)nn(CC)c1Cl 744047076 MZITWJOXSWVDMI-UHFFFAOYSA-N 286.803 3.992 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)CC1 599680893 VTHDVNJXENHKTN-AWEZNQCLSA-N 271.404 3.777 30 20 CHED C=CC(C)(C)CNC(=S)Nc1cccc(C)c1C 840794578 LZAMKSNJGXONSG-UHFFFAOYSA-N 262.422 3.802 30 20 CHED CC(=NNc1nccnc1Cl)[C@@H]1C[C@H]1c1cccs1 841625254 ITWFSXUBWOJNRB-VHSXEESVSA-N 292.795 3.783 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1c(F)c(F)cc(F)c1F 925503302 JHYRMSQSUKXSGE-QMMMGPOBSA-N 288.288 3.661 30 20 CHED CNC(=S)NN=C(CC(C)(C)C)c1ccc(Cl)cc1 740760309 QTAFCGVSLZBQAE-UHFFFAOYSA-N 297.855 3.574 30 20 CHED CC(C)n1cc([C@@H](C)N[C@H](CCC#N)c2ccccc2)nn1 925600666 IGGHUDLWVASUGL-GDBMZVCRSA-N 297.406 3.555 30 20 CHED CC[C@@H](CC(=O)Nc1nc(Cl)c(C#N)s1)C(C)C 841224649 BUDDLEFLKGXBSV-QMMMGPOBSA-N 285.800 3.679 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cccc(F)c1 921260042 OWIXEMKSVWZOLZ-UHFFFAOYSA-N 254.308 3.897 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc([N+](=O)[O-])cc1 759653605 SVLOPWVCEDULPM-UHFFFAOYSA-N 287.294 3.878 30 20 CHED C=CCCC(C)(C)NC(=O)c1nc(Cl)sc1C 856372300 JIUABTNEFGUJIB-UHFFFAOYSA-N 272.801 3.580 30 20 CHED Cc1cc(C)cc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 850366458 BWEJZTVXKMGBPU-MRXNPFEDSA-N 294.398 3.884 30 20 CHED C(=NNc1nc2ccccc2[nH]1)[C@@H]1CCOc2ccccc21 752159421 FKEJFTDETXQXCY-LBPRGKRZSA-N 292.342 3.527 30 20 CHED CN(C(=O)/C=C/C1CCCCC1)c1ccccc1C#N 752820353 XPWFMOPDXRWBMN-VAWYXSNFSA-N 268.360 3.658 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1ccco1 921137834 NVLQJKJWHKAOFQ-UHFFFAOYSA-N 252.676 3.908 30 20 CHED Clc1ccc(Cl)c(C=NOCc2cccnc2)c1 753715920 WCOQUPAKSYZTLQ-UHFFFAOYSA-N 281.142 3.939 30 20 CHED CCOC[C@@H]1CCCN(CCCCC2(C#N)CCC2)C1 929643393 GQNAIYZFUIOICI-MRXNPFEDSA-N 278.440 3.599 30 20 CHED CC(C)c1ncc(C=NNc2cccc([N+](=O)[O-])c2)s1 758359829 RZZCIECXTYGZFB-UHFFFAOYSA-N 290.348 3.621 30 20 CHED COc1cc(C)ccc1C(C)=NNc1cc(C)ccn1 755906734 PTIOOCMNUOMTAU-UHFFFAOYSA-N 269.348 3.543 30 20 CHED CO[C@@H](C=NNc1ccc(OC(F)F)cc1)C1CCCC1 853298672 ADXLJHXJYBQZKA-AWEZNQCLSA-N 298.333 3.891 30 20 CHED CCCCCCCC(=O)N[C@H]1CCc2ccc(O)cc21 855894243 JVTDOOALMHIJJO-INIZCTEOSA-N 275.392 3.856 30 20 CHED C#CC[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 757582226 YTVFWLUAROJNEG-INIZCTEOSA-N 283.758 3.834 30 20 CHED Cc1cccc(C)c1CCOC(=O)CCCCCC#N 851302450 ZFHTVCLYAAWWCI-UHFFFAOYSA-N 273.376 3.863 30 20 CHED COC(=O)c1cccc(NN=C(C)c2occc2C)c1C 853398156 RVPBFANGSJYPKO-UHFFFAOYSA-N 286.331 3.519 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1C=CCC1 850510371 TXHDKSZRJLGZEB-RDJZCZTQSA-N 252.361 3.634 30 20 CHED N#Cc1ccc(F)cc1COC(=O)/C=C/c1ccsc1 759349479 LTKLACJCXXKJIS-DAFODLJHSA-N 287.315 3.515 30 20 CHED CCN(CCCCC1(C#N)CCC1)Cc1ccccn1 929825660 QLQBGPRRFVDCLL-UHFFFAOYSA-N 271.408 3.768 30 20 CHED C[C@H](NN=C1CCN(Cc2ccccc2)C1)c1ccccc1 920383450 WATXVPHUXPDOQI-INIZCTEOSA-N 293.414 3.599 30 20 CHED C#C[C@H](C)OC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 751848510 IVLVZEISXHZYBR-JTQLQIEISA-N 299.757 3.944 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC[C@@H](C)Cc1cccs1 933493339 GZBIQIMSBZWNJH-LBPRGKRZSA-N 298.411 3.537 30 20 CHED CCC(C[C@H](C)CC)=NNc1ncccc1[N+](=O)[O-] 759203610 QYFGIXYEMYZGAG-SNVBAGLBSA-N 264.329 3.604 30 20 CHED C#CCN(C(=O)Nc1ccc(CSCC)cc1)C(C)C 931670310 VRDWTFZPFZRPGS-UHFFFAOYSA-N 290.432 3.815 30 20 CHED CCON=Cc1cn(-c2ccccc2)nc1-c1cccs1 767463432 MATLPVGLRITRCC-UHFFFAOYSA-N 297.383 3.971 30 20 CHED CC(C)(C#N)COC(=O)Cc1cc(Cl)cc(Cl)c1 860645330 NLAHBBUNWNSZCJ-UHFFFAOYSA-N 286.158 3.629 30 20 CHED COCCC1CCN(CCCCC2(C#N)CCC2)CC1 931160306 GUZWSQPJWTWIAI-UHFFFAOYSA-N 278.440 3.599 30 20 CHED CC[C@H](CC(F)(F)F)Nc1c(F)c(F)nc(F)c1F 760602259 NUYTVYUYZVBXIJ-SCSAIBSYSA-N 290.182 3.781 30 20 CHED CCC/C(C)=C\C(=O)NC(C#N)(CCC)CCC 762617702 NVCAVAOCOJEDQG-QBFSEMIESA-N 250.386 3.712 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1occc1C 767747565 XTOIUNJJUMIVHL-UHFFFAOYSA-N 265.316 3.972 30 20 CHED N#CC1CCN(Cc2csc(C3CCCCC3)n2)CC1 57875766 CAZKOSPWPYOLSR-UHFFFAOYSA-N 289.448 3.926 30 20 CHED CC(CCN(C)C)=NNc1c(Cl)cc(F)cc1Cl 767384722 ASLHWGHQDMBQGF-UHFFFAOYSA-N 292.185 3.872 30 20 CHED C#CCCNc1cc(C(=O)Nc2ccccc2)ccc1C 760290662 SJMRODAZMYPFPD-UHFFFAOYSA-N 278.355 3.683 30 20 CHED C#CCCCN1CCCCC[C@H]1C[C@H](O)c1cccs1 766906558 RMGHNOCQXKJJIM-HOTGVXAUSA-N 291.460 3.830 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC1(C)CCC(F)(F)CC1 935339051 BEZVUAHINBWTRP-UHFFFAOYSA-N 292.329 3.565 30 20 CHED COCc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1 768395172 OSDYVDVQXUDGHK-UHFFFAOYSA-N 289.375 3.710 30 20 CHED Cc1nnc(SCCC(F)=C(F)F)c(C#N)c1C 863280387 GPUMAWXIRQMHJL-UHFFFAOYSA-N 273.283 3.525 30 20 CHED N#CCC1(COC(=O)c2ccc(-c3ccco3)s2)CC1 766383125 UFWXZDJCSGWTET-UHFFFAOYSA-N 287.340 3.859 30 20 CHED C=CCCOC(=O)/C=C/c1ccc(SC)s1 860290342 REYLAVZPODVOFE-FNORWQNLSA-N 254.376 3.603 30 20 CHED CO[C@@](C)(C=NNc1cccc(F)c1Cl)C1CC1 863158826 SPBYAOJDAKPIED-ZDUSSCGKSA-N 270.735 3.692 30 20 CHED C#CCCCNCc1cccc(OCc2ccc(F)cc2)c1 766476016 UAUABGINXJYICI-UHFFFAOYSA-N 297.373 3.908 30 20 CHED C#CCCCOc1cc(Cl)ccc1C(=O)NCCCC 766750847 ORNAJPBWQGHJER-UHFFFAOYSA-N 293.794 3.662 30 20 CHED Cc1ccc(C=NOCc2ncccc2C(F)(F)F)cc1 762188066 FUGIBRBKRODSMQ-UHFFFAOYSA-N 294.276 3.960 30 20 CHED Cc1ccc(C=NNCc2ccc(Cl)cc2)s1 764716899 ARBHPKAQPUYLJJ-UHFFFAOYSA-N 264.781 3.834 30 20 CHED CC(Cc1cccs1)=NNc1cc(C#N)cc(Cl)n1 768381995 NYLXCEDNBZHNNK-UHFFFAOYSA-N 290.779 3.699 30 20 CHED Cc1ccc2oc(C(=O)Oc3ccc(C#N)cc3F)cc2c1 769738631 XDYAUXBSGVXRDA-UHFFFAOYSA-N 295.269 3.971 30 20 CHED C=CCN(C(=O)Nc1ccc(-c2ccccc2)nn1)C(C)C 773276698 GKBGOYNTKSDQHP-UHFFFAOYSA-N 296.374 3.572 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 879496141 FUNQTNBRHQGTQX-HOTGVXAUSA-N 287.403 3.625 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccoc2)c1 772982588 DOWZRMJTDWUIKU-BBRMVZONSA-N 284.359 3.811 30 20 CHED C=CCOc1cc(OC)ccc1-c1nnc(C(C)(C)C)o1 1117280661 BYDWHDAFEWTJLD-UHFFFAOYSA-N 288.347 3.608 30 20 CHED CCNc1ccc(C#N)cc1NC/C(Cl)=C\Cl 776850775 XRISPTGYBMGFKJ-UXBLZVDNSA-N 270.163 3.721 30 20 CHED Cc1cccc(C(=O)O[C@@H](C#N)C2CCCCC2)c1F 776396230 DSSLAEGYNJNICX-AWEZNQCLSA-N 275.323 3.763 30 20 CHED CC(C)O[C@H]1CC(=NOCCC(F)(F)F)C1(C)C 777462860 OYWCIEVMXUKJHO-JTQLQIEISA-N 267.291 3.535 30 20 CHED N#Cc1ccc(/C=C\C(=O)C2CCCCC2)c(F)c1 772797978 RNTIWYPTCRNBJA-HJWRWDBZSA-N 257.308 3.860 30 20 CHED C#CCCN[C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 775179136 BPSLAXPRYNASRZ-HNNXBMFYSA-N 289.419 3.794 30 20 CHED COc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1 776779765 LHSHEWPQLJDZPQ-LLVKDONJSA-N 270.307 3.879 30 20 CHED COc1ccc(C(C)=NOC2CCCCC2)cc1OC 777457170 NXBQPIWTXIRREG-UHFFFAOYSA-N 277.364 3.777 30 20 CHED C=CCC[C@@H](C(=O)OCC1(CC#N)CC1)c1ccccc1 778653773 ANBFBVMJBSTLLL-MRXNPFEDSA-N 283.371 3.973 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)Cc1ccccc1CC#N 777012157 NWFWQHXKSKILPP-SFHVURJKSA-N 298.430 3.722 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 777912077 RGBMFKSJGGXCHC-YWEYNIOJSA-N 289.237 3.769 30 20 CHED C=CCN(C(=S)Nc1ccc(C)cc1C)C1CC1 771548653 NWQQTKRTGMXSEI-UHFFFAOYSA-N 260.406 3.651 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 880231729 WYJWYOUXTNHGMP-CHWSQXEVSA-N 293.432 3.687 30 20 CHED N#Cc1ccc(NN=C/C=C/c2ccco2)cc1Cl 783878464 UTHCITXNNYFFTP-RMWVHLTFSA-N 271.707 3.916 30 20 CHED C=CC[C@@H](C)N1CCC(c2ccccc2C(=O)O)CC1 883406212 LZVYFZQPKPPBJS-CYBMUJFWSA-N 273.376 3.529 30 20 CHED CCCCCCCCC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 784745522 IQZUTVJGETVVGA-IAGOWNOFSA-N 281.440 3.811 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C\Sc1ccccc1 785857631 NVWLYHAWHCAHOH-YBEMTRGBSA-N 273.401 3.860 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1csc(Cl)c1 786934305 JCZWVMLPHOUVCY-VIFPVBQESA-N 277.780 3.519 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(N2CCCCC2)c1 782793938 WYVADXGIUDMZFW-UHFFFAOYSA-N 285.391 3.555 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cc(C(=O)O)cs1)C2=O 782199174 CNNSUCUYLFWNAW-IZZDOVSWSA-N 284.336 3.577 30 20 CHED Cc1cccc(C(=O)/C=C/c2cc(C(=O)O)cs2)c1C 782201332 SUMXNHPPFRHABM-VOTSOKGWSA-N 286.352 3.959 30 20 CHED CCCCS[C@@H](C)C(=O)OCC#Cc1ccc(F)cc1 785734753 IKBHZVUAAXEIDL-ZDUSSCGKSA-N 294.391 3.642 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1[C@H](C)CCC 780653348 GDUYFNNUFGNDJQ-HZPDHXFCSA-N 263.425 3.997 30 20 CHED C#C[C@@H](C)NCCCc1c(Cl)cccc1Cl 390446899 XWNQNSOUKMQZDR-SNVBAGLBSA-N 256.176 3.537 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1ccc(Cl)cc1 782022030 OVIYUNOUTXTKBB-UHFFFAOYSA-N 279.767 3.756 30 20 CHED Clc1ccccc1CNN=Cc1scnc1C1CC1 782204968 GPJFMANDDDIASD-UHFFFAOYSA-N 291.807 3.798 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cn(C)nc1C1CC1)CC2 899363871 IZOBPRQSWXAFSC-GDNBJRDFSA-N 292.382 3.818 30 20 CHED C=C1CC(c2noc(-c3cccc(-c4nnc(C)o4)c3)n2)C1 896883143 NWENIJDZXDBVMM-UHFFFAOYSA-N 294.314 3.529 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1ccc(C)cc1OC 899344902 ADEAZTYCIYLEAN-CMDGGOBGSA-N 285.343 3.759 30 20 CHED C#CC(C)(C)N(C)Cc1csc(CCc2ccccc2)n1 787997704 PZYMIJKAWDDCQE-UHFFFAOYSA-N 298.455 3.772 30 20 CHED CCN(CC(C)C)C(=O)c1c(Cl)cc(C#N)cc1Cl 1135915377 JFAZNEQVQLWCHH-UHFFFAOYSA-N 299.201 3.983 30 20 CHED CC1(CNN=Cc2csc(C3CC3)n2)CCCC1 793084699 RSBSQKKJWZDHLZ-UHFFFAOYSA-N 263.410 3.524 30 20 CHED CSCCON=C(CC(C)C)c1ccccc1 794574577 KJDHWEBEMCKDHG-UHFFFAOYSA-N 251.395 3.816 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2ccccc2C#N)c(O)c1 799895964 SKDRXYNBCPJGAB-FPLPWBNLSA-N 277.323 3.777 30 20 CHED Cc1ccnc2ccc(C(=O)OCC(C)(C)CC#N)cc12 797320352 XXIOHYOCZYFPDF-UHFFFAOYSA-N 282.343 3.640 30 20 CHED CN(CCCCC#N)Cc1cscc1Br 709949969 SOMSSPYVEDJDRR-UHFFFAOYSA-N 287.226 3.636 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1cc(F)cc(F)c1 797123699 GWTXXNIITRBUNR-YMTOWFKASA-N 267.275 3.509 30 20 CHED COc1ccccc1CON=Cc1cnc(C2CC2)s1 799118566 LOAJMNYQRYYVFY-UHFFFAOYSA-N 288.372 3.580 30 20 CHED CCC(=NNc1cccc(F)n1)c1ccccc1F 795009202 YBKPCIAUXJBCRL-UHFFFAOYSA-N 261.275 3.586 30 20 CHED Cc1cc(F)c(F)cc1OC(=O)c1cccc(CC#N)c1 791421541 DVXSHROSQIGDNZ-UHFFFAOYSA-N 287.265 3.559 30 20 CHED Cc1cccnc1NN=C1CC(C)(c2ccccc2)C1 790194084 VHPMTCXBZFIJCY-UHFFFAOYSA-N 265.360 3.910 30 20 CHED CCC(=NOCCCOC)c1cccc(Cl)c1 795053666 UHOJZMXEXWBRKM-UHFFFAOYSA-N 255.745 3.507 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccc2c(c1)CCC=C2 793192888 VLDGYTHUYOAHLP-HNNXBMFYSA-N 269.344 3.741 30 20 CHED CCc1cccc(NC(=O)Nc2sccc2C#N)c1 1202874353 PIRRDRDIIHCXMG-UHFFFAOYSA-N 271.345 3.826 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2cccc(F)c2)cc1C#N 799343137 ASPSVRMLSMHEBX-GFCCVEGCSA-N 283.302 3.924 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C)cc2O)c1F 799891167 ADNOUTDDCYMFLI-CLFYSBASSA-N 286.302 3.744 30 20 CHED CCc1c(C(C)=NNc2ncncc2F)oc2ccccc12 793226544 SEFPRHZTNIMEAG-UHFFFAOYSA-N 298.321 3.760 30 20 CHED Cc1cc(C)nc(COc2cc(Cl)ccc2C#N)c1 723627003 LCPOBKQFUNYQDU-UHFFFAOYSA-N 272.735 3.803 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc(Cl)cc1 799865494 HCRHKGNZFYHMKK-LLVKDONJSA-N 266.772 3.945 30 20 CHED C=C(C)CNC(=S)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 795005409 ULDRUVKQUJTEDW-HIFRSBDPSA-N 292.423 3.502 30 20 CHED C=CCC(C)(C)C(=O)OCc1ncc(-c2ccccc2)o1 796461550 LMXDDZSGDXIFIH-UHFFFAOYSA-N 285.343 3.987 30 20 CHED C=CCCCCCN1CCCC[C@H]1c1noc(CC)n1 683779662 LOEFEZQTWATAKY-AWEZNQCLSA-N 277.412 3.905 30 20 CHED N#CCc1cccc(NC(=O)Cc2ccc(Cl)s2)c1 1142244201 CDGWHNJGPJIMNG-UHFFFAOYSA-N 290.775 3.649 30 20 CHED C=C(Cl)CN(C)c1ccc(C)cc1Br 1307797505 QKXZXCDODKOFGE-UHFFFAOYSA-N 274.589 3.946 30 20 CHED CC(C)C(CNCc1cccc(F)c1C#N)C(C)C 1308700659 TXAYGIPNDCRDCN-UHFFFAOYSA-N 262.372 3.715 30 20 CHED N#Cc1cccc(CNc2nc3cccc(F)c3s2)c1 1162111158 IQZATBVWCOHDMV-UHFFFAOYSA-N 283.331 3.919 30 20 CHED CCc1ccc(C(=O)Nc2sccc2C#N)cc1CC 1319806670 WYPXMJHUZMOFPH-UHFFFAOYSA-N 284.384 3.997 30 20 CHED COc1cc(O)ccc1/C=C/C(=O)c1ccc(C)s1 1317744472 UXKJCBBINPIKJD-FNORWQNLSA-N 274.341 3.667 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1c(C#N)cccc1C#N)CC2 1328657303 QFXATIFGJTUNSQ-QGZVFWFLSA-N 273.339 3.838 30 20 CHED CC(C)(C)ON=Cc1ccc(Sc2ccccn2)o1 1321170121 NKHISFVVVDBDPH-UHFFFAOYSA-N 276.361 3.975 30 20 CHED CC(C)CC1(CNc2cccc(CC#N)n2)CCC1 1320365133 XMQCVROFEMPLIW-UHFFFAOYSA-N 257.381 3.776 30 20 CHED C#CCN(Cc1cc(Cl)cc2cccnc12)CC1CC1 1324382133 ASAWAZHKCJXADQ-UHFFFAOYSA-N 284.790 3.733 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1c1ccc(F)cc1 1336882794 DNAICQZMZHUJHF-HNNXBMFYSA-N 261.340 3.846 30 20 CHED Cc1cnc2ccccc2c1N1CCC[C@H](CC#N)C1 1333721889 QBTLUHLBGVNJGB-CQSZACIVSA-N 265.360 3.673 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(F)(F)c1ccccc1C 1254195797 BWQUJSJRQJIOKH-CYBMUJFWSA-N 281.346 3.948 30 20 CHED C=CCCCc1nnc(COc2ccc(Cl)cc2)o1 1333055862 HOARTNWTGAIGNV-UHFFFAOYSA-N 278.739 3.811 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2ccc(OCC#N)cc2)CS1 1343628207 XQPOMPRTFJFZRI-HIFRSBDPSA-N 276.405 3.531 30 20 CHED C=CC[C@@H](c1ccccc1)c1nnc(CC(C)C)o1 1345564418 XGUBCJPYFWNYBU-AWEZNQCLSA-N 256.349 3.976 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 1349597303 WCYPGXFRYJUWAD-CABCVRRESA-N 296.418 3.682 30 20 CHED CCc1c(C(=O)N(CC)[C@@H](C#N)CC)oc2ccccc12 1262812941 KYAMXXHFPNDWFY-GFCCVEGCSA-N 284.359 3.759 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)c1cccc(C)c1F 1438676413 OKLDCLYXKVVRRE-UHFFFAOYSA-N 296.345 3.981 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccccc1F 1529374355 WBSQCZCRETVWFM-GFCCVEGCSA-N 282.318 3.531 30 20 CHED CC(=O)c1cccc(COc2ccc(C#N)c(C)c2)c1 1459062911 IRLUNSYWVGDRJK-UHFFFAOYSA-N 265.312 3.648 30 20 CHED C=C[C@@H](C(=O)NC(C)(C)c1c(C)noc1C)c1ccccc1 1520169396 NLKXACUMVQNJMX-OAHLLOKOSA-N 298.386 3.613 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnoc1C(C)C 1528492626 JBVTULJTHBXRPB-HNNXBMFYSA-N 298.386 3.715 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2csc(C(C)(C)C)n2)c1 1528802299 MPFGHULUMJJIKH-UHFFFAOYSA-N 299.399 3.873 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)c(F)c1 1530669865 DKFAQCZKJJWGEQ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCCCCCCCCC(=O)NCC1(O)CCCC1 114235415 RXMMKVHNDBFBOG-UHFFFAOYSA-N 269.429 3.548 30 20 CHED O=C(/C=C\c1ccoc1C(=O)O)c1ccc2c(c1)CCCC2 1608289522 WKDWUQNBEBHMPF-FPLPWBNLSA-N 296.322 3.753 30 20 CHED Cc1cc(NC[C@H](C)c2nc3ccccc3o2)ncc1C#N 1612779798 BSQWDRYRSBAARL-LBPRGKRZSA-N 292.342 3.619 30 20 CHED N#Cc1cccc(OC[C@H]2CCC3(CCCCC3)O2)c1 228018942 PIDKKFXHLKESRS-MRXNPFEDSA-N 271.360 3.819 30 20 CHED CS[C@@H]1CC[C@H](Nc2c(C#N)cnc3ccccc23)C1 230918589 RUWWGNWETAHYQL-QWHCGFSZSA-N 283.400 3.802 30 20 CHED C[C@H](SCc1ccncc1)c1cccc(C#N)c1 1652237861 XUOJATJOAZWHHU-LBPRGKRZSA-N 254.358 3.948 30 20 CHED CC(=O)CN(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 1652792393 WOJOAVVDJNCPDF-UHFFFAOYSA-N 296.345 3.601 30 20 CHED Cc1nc(NCCC2CCC(F)(F)CC2)ccc1C#N 1651507431 VFTKYVNWZSURPX-UHFFFAOYSA-N 279.334 3.889 30 20 CHED C[C@@H]1CC[C@@H](Nc2nccc(Oc3cccc(C#N)c3)n2)C1 1655855995 GIRIINXTGWSVMO-TZMCWYRMSA-N 294.358 3.741 30 20 CHED CC[C@](C)(CN(Cc1ccc(C#N)cc1)CC(C)C)OC 1658448819 CTZFGOLJOJTACW-GOSISDBHSA-N 288.435 3.831 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)n1 1657505273 LQYKQYHCWAZLDR-GGXPGOJBSA-N 295.430 3.744 30 20 CHED Cc1ccc(CCNc2cc(C)cc(C#N)c2)cc1 1664991880 DWBCLGDAECFMCW-UHFFFAOYSA-N 250.345 3.830 30 20 CHED CSc1cc(NCc2cccc(C#N)n2)ccc1Cl 1660032684 VKNUCDFDDUQQRE-UHFFFAOYSA-N 289.791 3.941 30 20 CHED N#CCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1 18829645 NYERBMSWYVZBQZ-UHFFFAOYSA-N 292.747 3.556 30 20 CHED O=C(O)c1cc(C=NNc2ccc(F)cc2)sc1Cl 1776032515 UHPXWWIGKAXXPV-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CCC[C@H](C)CCC)C1 1776160700 VLUBVMDVEHDVFO-ZBFHGGJFSA-N 267.413 3.556 30 20 CHED C=CCN(Cc1cnn(CC)c1)Cc1ccc(Cl)s1 162787331 JEYNSEPPLQXMLJ-UHFFFAOYSA-N 295.839 3.806 30 20 CHED CC#CCSCCCC(=O)Nc1c(C)cccc1C 166526274 ICEPPGTUIZHQDK-UHFFFAOYSA-N 275.417 3.779 30 20 CHED C[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccsc1 151421738 VGVKSELXFDHQOS-NSHDSACASA-N 270.357 3.556 30 20 CHED C=CCCS[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 151993528 ZRJLZGGTNCJGOQ-ZIAGYGMSSA-N 277.433 3.604 30 20 CHED C=CCCCN(C)Cc1cc(OC)c(OC)cc1SC 152642975 JPMFMMXXXKNNBG-UHFFFAOYSA-N 295.448 3.824 30 20 CHED Cc1ccc(F)c(C(=O)N[C@H](CCC#N)c2ccccc2)c1 153679733 XLLCHQJZFNZWQP-QGZVFWFLSA-N 296.345 3.909 30 20 CHED C[C@H]1/C(=C\c2ccc(C#N)cc2)C(=O)c2c(O)ccc(F)c21 7333206 FZMIFUNJXKRTKM-XNFYSYIQSA-N 293.297 3.786 30 20 CHED C=CCCC[C@@H](C)Nc1nnc(C(F)(F)F)s1 156922953 KHIBQJCJURFJTJ-SSDOTTSWSA-N 265.304 3.714 30 20 CHED N#CCOc1ccc(NCc2cccc(Cl)c2O)cc1 158049632 SDCPZADRVLXEEX-UHFFFAOYSA-N 288.734 3.560 30 20 CHED CC(C)CCC[C@H](C)NCc1ccc(OCC#N)cc1 34991192 HGZYZLCTYDBYSQ-HNNXBMFYSA-N 274.408 3.893 30 20 CHED Cc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1Cl 160329519 DGHDSZZNEUVKHM-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C#CCCCCNCc1cc(F)cc(C(F)(F)F)c1 162788413 XXIAIHKNFYRAAW-UHFFFAOYSA-N 273.273 3.738 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1C1CCCCC1 48565960 ULAGGZDFFPVRFJ-HNNXBMFYSA-N 255.365 3.502 30 20 CHED Cc1ccc(NC(=O)Nc2cc(C#N)ccc2C)cc1 50436280 LYZHIOPFADUPSN-UHFFFAOYSA-N 265.316 3.819 30 20 CHED C#CC(C)(C)NC(=O)CCCSc1ccc(Cl)cc1 700596646 HQMJGRZNISAAPN-UHFFFAOYSA-N 295.835 3.740 30 20 CHED C#CCN(CC)C(=O)c1sc2cc(F)ccc2c1Cl 700594644 BYEMKHAUTAEHNO-UHFFFAOYSA-N 295.766 3.789 30 20 CHED N#CC1(CSc2nc3ccccc3[nH]2)CCCC1 405154517 ITGCOWKFDBTDTJ-UHFFFAOYSA-N 257.362 3.739 30 20 CHED N#CCC1(COc2ccc3ccccc3c2C=O)CC1 88255563 GCTDHNPEVROZMX-UHFFFAOYSA-N 265.312 3.725 30 20 CHED C[C@H]1CN(c2nccc(C#N)c2Cl)[C@H]1c1ccccc1 553406966 SMGPVEMRHDYXAM-XHDPSFHLSA-N 283.762 3.804 30 20 CHED C=CCC1(NC(=O)c2cc(C)nc(Cl)c2)CCCC1 690815017 OEZWVXDYUMNGNE-UHFFFAOYSA-N 278.783 3.662 30 20 CHED N#Cc1cc(N[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])s1 695137567 OGNNUTQVLNDSMO-SSDOTTSWSA-N 287.291 3.518 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(C(F)F)c1 386277708 DHRZXOBENCAWNP-UHFFFAOYSA-N 266.291 3.893 30 20 CHED C=C(C)CCNCc1ccc(OC(C)C)c(OC)c1 386923063 RUYRWWOWRFBELU-UHFFFAOYSA-N 263.381 3.538 30 20 CHED C=CC[C@H](C)NC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 823871840 PELCQEGHENBOBD-KKUMJFAQSA-N 296.455 3.576 30 20 CHED C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H](C)C1 443640165 MNACYAUGROEOKR-OLZOCXBDSA-N 260.356 3.565 30 20 CHED N#Cc1cc(Cl)ccc1NCc1cnc(C2CC2)o1 450909549 ILHVRQZOVDIBLK-UHFFFAOYSA-N 273.723 3.689 30 20 CHED Cc1c([C@H](C)NC(=O)N(C)C[C@H](C)C#N)oc2ccccc12 56903912 RBUYAVIJOZUTJH-YPMHNXCESA-N 299.374 3.603 30 20 CHED C[C@@H](N(C)C(=O)c1cccc(SCC#N)c1)C1(C)CC1 175629946 IFEIFFREHRPLHQ-GFCCVEGCSA-N 288.416 3.563 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc2cc[nH]c2c1 104627367 OUPPLCHETDYPNH-UHFFFAOYSA-N 283.375 3.570 30 20 CHED Cc1ccc(CNC(=O)Nc2cc(C#N)ccc2C)cc1F 58453287 VSSXWEHSJPQLSF-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C=C(Cl)CNCc1nc(-c2ccccc2)cs1 134792099 FNZISFCSXXVTRT-UHFFFAOYSA-N 264.781 3.652 30 20 CHED CC(C)CNc1c(C#N)cnc2ccc(OC(F)F)cc12 301073508 GJAYXMOQLSCYQI-UHFFFAOYSA-N 291.301 3.776 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 26003766 IJMBGXXSHWFVPB-LRDDRELGSA-N 281.380 3.742 30 20 CHED CCCN(CC#N)C(=O)CCc1ccc(-c2ccccc2)o1 60541961 QIDBGTMXQFCMEW-UHFFFAOYSA-N 296.370 3.641 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C/c1coc2ccccc12 178982283 PUZLTMLHVNHBDF-VOTSOKGWSA-N 290.278 3.568 30 20 CHED C[C@H](OC(=O)c1cccc2cc[nH]c12)c1ccc(C#N)cc1 176667020 GHHICAYEFMJCAY-LBPRGKRZSA-N 290.322 3.958 30 20 CHED CC(C)N(C(=O)[C@H](C)Sc1ccccc1C#N)C(C)C 172679963 UEQHZDMHUPFMDJ-ZDUSSCGKSA-N 290.432 3.684 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 303625497 DXCBKRKUGHQQBZ-WEVVVXLNSA-N 285.274 3.938 30 20 CHED CC(C)(C)CCCC(=O)NC1(C#N)CCCCC1 171536991 RBSLZIBYGDCRSI-UHFFFAOYSA-N 250.386 3.545 30 20 CHED C=CCN(C(=O)[C@H](OC)c1ccccc1)c1ccccc1 179142435 MIMXKUGBKLFFFQ-QGZVFWFLSA-N 281.355 3.593 30 20 CHED C[C@H](CNc1c(C#N)cccc1C#N)Cc1cccs1 302897212 RHPIFLQAQZSMRY-LBPRGKRZSA-N 281.384 3.782 30 20 CHED COc1cc(Oc2ccc(C)cc2[N+](=O)[O-])ccc1C#N 302825238 MHJBUFYKVVMELU-UHFFFAOYSA-N 284.271 3.576 30 20 CHED CN(Cc1cccc2ccccc12)c1ccc(C#N)nc1 301510123 KHKITYUWBGKJTG-UHFFFAOYSA-N 273.339 3.743 30 20 CHED N#Cc1csc(CN2CCC[C@H]2Cc2ccccc2)c1 124982852 NHCYDKLVWCBDJH-INIZCTEOSA-N 282.412 3.827 30 20 CHED C=C(C)COCCN[C@@H](C)c1cccc(Cl)c1 125624277 GDIUSASMMKTLQV-LBPRGKRZSA-N 253.773 3.583 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(F)cc(Cl)cc1F 182872516 ZDOYDBQRJZRVIX-UHFFFAOYSA-N 286.709 3.824 30 20 CHED N#Cc1cccc(NCc2cccc(OC(F)F)c2)c1 181342610 SLIJPIPQENGRRV-UHFFFAOYSA-N 274.270 3.772 30 20 CHED CC#CCCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1C 185962723 DCFSBMCCLCVNGQ-KDOFPFPSSA-N 269.388 3.620 30 20 CHED COc1cc(C#N)ccc1CNC(C)(C)c1ccc(F)cc1 121381044 BJGQLTOTEPZNNA-UHFFFAOYSA-N 298.361 3.731 30 20 CHED C#CCCCCC(=O)N1c2ccccc2SC[C@H]1C 181464358 QJOLIJGGHWQAJJ-CYBMUJFWSA-N 273.401 3.707 30 20 CHED CCCCN(CC(F)(F)F)C(=O)Nc1ccc(C#N)cc1 76553727 LJJDKXQCHQIDGK-UHFFFAOYSA-N 299.296 3.755 30 20 CHED C=CCC[C@@H](O)CN(C)[C@@H](C)c1cc2ccccc2o1 122208459 JOGVDOYEGYSYQM-DZGCQCFKSA-N 273.376 3.753 30 20 CHED Cc1oc2ccccc2c1C/N=C(\N)Nc1ccccc1 184815918 BWADKBDOKCJVPE-UHFFFAOYSA-N 279.343 3.668 30 20 CHED CC1(C)C[C@H](NCc2ccc(Cl)cc2C#N)C(C)(C)O1 189226021 HLYZHFLJWPPDNM-AWEZNQCLSA-N 292.810 3.647 30 20 CHED C=C(C)CN1CCC(NC(=O)C2(C)CCCCCC2)CC1 180722907 NOKCMLJQUMTFIX-UHFFFAOYSA-N 292.467 3.504 30 20 CHED Cc1c(C(=O)N[C@H]2CC2(C)C)sc2ccc(C#N)cc12 412530929 QLTOHRMTPRSZQZ-ZDUSSCGKSA-N 284.384 3.610 30 20 CHED N#C[C@@]1(NC(=O)C2CCCCCC2)CCc2ccccc2C1 183982535 VRZPFLMXYGDGSW-LJQANCHMSA-N 296.414 3.524 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H](C)C1 121201193 PKNSUBMNGGOKMY-VXGBXAGGSA-N 289.354 3.597 30 20 CHED COc1ccccc1OCCSc1ccc(C#N)cc1 77250864 HKRKDFUSGREYGH-UHFFFAOYSA-N 285.368 3.738 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cc2ccccc2s1 446925735 RNAFEJFWJLLRLZ-OLZOCXBDSA-N 275.417 3.737 30 20 CHED C[C@H](CNc1ccc(C#N)cc1F)N1CCc2ccccc21 506815162 QJZAHAWYAZAKIQ-CYBMUJFWSA-N 295.361 3.560 30 20 CHED CC#CCN[C@H](C)c1cc2cccc(OCC)c2o1 126088977 PHGQBDNYJGDEGZ-GFCCVEGCSA-N 257.333 3.505 30 20 CHED C[C@H]1CCC[C@@H](N(C)c2nc(C(F)(F)F)ccc2C#N)C1 78833629 ANPGJDGBWYWJSW-CMPLNLGQSA-N 297.324 3.987 30 20 CHED C[C@@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CS1 413525628 YSHKNEYNTJFRTF-SCZZXKLOSA-N 286.322 3.883 30 20 CHED N#Cc1ncc(NC(=O)[C@@H]2CC23CCCCC3)cc1Cl 411034925 SYKWZYZRVRRMQA-NSHDSACASA-N 289.766 3.516 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cc(Cl)ccc1F 509026738 PBGKCYUVPURDTP-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)Oc1cccc([C@@H](C)NCc2cc(C#N)n(C)c2)c1 189583618 PNBNXBMAUAYYQI-CQSZACIVSA-N 297.402 3.535 30 20 CHED CC1CCC(Cn2cc(C#N)c(=O)c3ccccc32)CC1 185529220 ORNRBHAWGQECOG-UHFFFAOYSA-N 280.371 3.699 30 20 CHED N#CCCCC[S@@](=O)Cc1cccc(C(F)(F)F)c1 78700449 NJSAUQDMYKKWIM-IBGZPJMESA-N 289.322 3.648 30 20 CHED Cc1ccc(SCCNCc2cccc(C#N)c2)cc1 70946957 NXGSHFVBYDQLMC-UHFFFAOYSA-N 282.412 3.749 30 20 CHED C=CCCCN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 133414782 PRMYKGMYDCAMOG-UHFFFAOYSA-N 285.391 3.918 30 20 CHED CC(C)OC1CC(N[C@H](CCC#N)c2ccccc2)C1 189551219 FDGZUIGKPHWTGO-OFLPRAFFSA-N 272.392 3.577 30 20 CHED COCCOc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1 78995645 BJFBOZCFVRYCMI-CQSZACIVSA-N 296.370 3.757 30 20 CHED C=CCSc1nnc(COc2ccc(Cl)cc2)o1 72738812 QHJZSTLXEFCSRQ-UHFFFAOYSA-N 282.752 3.580 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H]1c1cccnc1 336803687 ZICXVJCJWJFEBF-HNNXBMFYSA-N 257.381 3.548 30 20 CHED CCc1ccc([C@H](CN[C@@H]2CCC[C@H](C#N)C2)N(C)C)cc1 185754462 LEBCIPJIOGYQHK-UHOSZYNNSA-N 299.462 3.524 30 20 CHED C[C@@H](CCC#N)N1CCc2cc(-c3ccccc3)oc2C1 411386834 LSVMLAGJKVZHQZ-AWEZNQCLSA-N 280.371 3.997 30 20 CHED Cc1noc(C)c1N/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329170741 JTDNNSAXKBULMW-MELADBBJSA-N 291.395 3.976 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](CC)CC1CCCC1 415633942 WQWUTXGQNMJCFU-HUUCEWRRSA-N 264.413 3.744 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1Nc1ccccc1OC 503668764 ZBUXSXWUBHBEEF-ZDUSSCGKSA-N 296.370 3.743 30 20 CHED N#CCCCN[C@H](c1cccc(Cl)c1)c1ccccn1 133785888 JIWUQMLLWNBTRL-MRXNPFEDSA-N 285.778 3.718 30 20 CHED C=CCS[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 419410531 OVDBMSDFZAMPRO-SECBINFHSA-N 289.322 3.952 30 20 CHED N#Cc1sc(N2CCS[C@H]3CCCC[C@@H]32)nc1Cl 287678735 CHOVEYFIUQELTQ-IUCAKERBSA-N 299.852 3.533 30 20 CHED COc1ccccc1[C@@H](C)[S@](=O)Cc1ccc(C#N)cc1 83080336 MMUFJUDTNLWDMI-ASSNKEHSSA-N 299.395 3.577 30 20 CHED C=CCCNc1cccc(C[S@](=O)c2ccccc2)c1 194733210 CMQZVWLFWMJDLA-FQEVSTJZSA-N 285.412 3.982 30 20 CHED CCOc1ccccc1OCc1cccc(F)c1C#N 427540676 NMSSJDKPHUOUCU-UHFFFAOYSA-N 271.291 3.675 30 20 CHED C=CCC1(CN[C@H](Cc2ccccc2)[C@@H](C)N)CCCC1 423162563 PWPSHCLPCAYQJD-SJLPKXTDSA-N 286.463 3.671 30 20 CHED C#CCCCNCc1ccc(C(F)(F)F)cc1C 191003510 XELUPTIGRDBFIA-UHFFFAOYSA-N 255.283 3.517 30 20 CHED CC(C)Oc1ccc(N[C@H](C)c2ccccn2)cc1C#N 191174478 SEIIXVAKOXAXPB-CYBMUJFWSA-N 281.359 3.914 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCCSC2)n1 613427196 UXOMRRLPGHYHOB-GFCCVEGCSA-N 275.421 3.558 30 20 CHED CO[C@@H]1CCCC[C@H]1/N=C/c1c(O)ccc2ccccc12 132358814 UQFPWZMFKPTAHF-MFYXZRBDSA-N 283.371 3.922 30 20 CHED C=C(Cl)CSc1nc2ccccc2n1CCOC 47819648 PMKRPXFOCREMJP-UHFFFAOYSA-N 282.796 3.527 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329663893 PIEUPSFMTZQKPI-YNEHKIRRSA-N 276.380 3.819 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCc2cc(F)ccc21 190990672 CUOVFBCFFOTYJE-GDBMZVCRSA-N 261.340 3.532 30 20 CHED CCO[C@@H](CNCC(C)(C)CCC#N)c1ccccc1 194468093 VZAILVJVIMQORA-INIZCTEOSA-N 274.408 3.684 30 20 CHED C[C@]1(/C(O)=N/CCc2cc3ccccc3o2)CCCOC1 329702895 IKPRLZWQFWQFQG-KRWDZBQOSA-N 287.359 3.749 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2cccc(CC#N)c2)cc1 138161917 HFOHSFPQKPAGFQ-AWEZNQCLSA-N 279.339 3.979 30 20 CHED N#CC1(CN[C@@H](CC(F)F)c2ccccc2)CCC1 420990193 DVJMDPDIJMOBDB-ZDUSSCGKSA-N 264.319 3.666 30 20 CHED CCc1cccc(CNCC2CCC(C#N)CC2)c1 516073771 BRVUCMGQQRNVPK-UHFFFAOYSA-N 256.393 3.669 30 20 CHED CC(C)SCCN1CC=C(c2ccc(C#N)cc2)CC1 338280338 MDRKGXQDUFZCSI-UHFFFAOYSA-N 286.444 3.789 30 20 CHED COc1cccc([C@H](C)/N=C(/O)N[C@@H]2CCCC[C@@H]2C)c1 330470245 AKJJBAKINYHZNI-HEHGZKQESA-N 290.407 3.839 30 20 CHED Cc1cc(F)cc2c1CN(Cc1cccc(C#N)c1)CC2 337387233 FRIXRNRPSNOKSO-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=C(CC)CN1CCC[C@H](CN2CCCC[C@@H]2C)C1 536893244 LIOHQWKUKWIUHA-IRXDYDNUSA-N 264.457 3.539 30 20 CHED CCCOc1ccc(NCc2cc(C#N)n(C)c2)c(C)c1 191405636 JYDUMHVJXRMHGJ-UHFFFAOYSA-N 283.375 3.606 30 20 CHED C=CCOCCN[C@@H](C)C1(c2ccccc2)CCCC1 519748554 MULNEKMPJDFRBR-INIZCTEOSA-N 273.420 3.679 30 20 CHED Cc1nc(C(C)C)oc1CN1CCCC(C)(C)[C@H]1C#N 335831381 ZXMWERYNBPFGBR-CQSZACIVSA-N 275.396 3.621 30 20 CHED CSc1ccc(C)c(C(=O)N(C)c2ccccc2C#N)c1 336493109 JJIADTRTVCZAIH-UHFFFAOYSA-N 296.395 3.865 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C)OCC 339354133 CVXZWWORPCFIJF-RHSMWYFYSA-N 287.403 3.504 30 20 CHED C=C(C)CCNc1cccc(OC[C@@H]2CCCO2)c1 519471811 XWJMQWCFRPMEKN-INIZCTEOSA-N 261.365 3.623 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(NC(C)=O)ccc1Cl 424725195 RPLBIGPRYQRELF-UHFFFAOYSA-N 294.782 3.839 30 20 CHED C=CCOCCN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 339193919 OTWNSDHHWYQJBK-CQSZACIVSA-N 298.308 3.564 30 20 CHED N=C(O)c1cccc(/C(O)=N/CC2CCC(F)(F)CC2)c1 330391405 GAHROHJWFMBCBS-UHFFFAOYSA-N 296.317 3.700 30 20 CHED N#Cc1ccccc1C[S@](=O)c1cc(Cl)ccc1F 334437332 IBXKHLFRSCMRGN-IBGZPJMESA-N 293.750 3.659 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1cnccn1)c1ccccc1 90580876 LRJVXZYVUZBLDX-GOEBONIOSA-N 267.376 3.835 30 20 CHED C[C@@H](Nc1ncc2c(c1C#N)CCC2)c1ccc(F)cc1F 425199974 JHSAPJIEKSCEDX-SNVBAGLBSA-N 299.324 3.893 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H]2CCC[C@@H](C)C2)cc1 237356107 FNNIEZMUWKRDBE-YCPHGPKFSA-N 272.392 3.646 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](CC)SC 437273297 XLYSSILANJBRNO-AWEZNQCLSA-N 269.454 3.723 30 20 CHED C=C1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 513503619 VCOGKALJDYGBSE-UHFFFAOYSA-N 285.309 3.780 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2ccoc2c1 439372030 BNDNPWLANUKDQW-LBPRGKRZSA-N 258.321 3.909 30 20 CHED Cc1coc2ccc(N=C(O)[C@@H]3[C@H]4CCCO[C@H]43)cc12 330034528 BAZLZUIQPJAJPA-KCPJHIHWSA-N 271.316 3.754 30 20 CHED CC(C)(C#N)CCCCSCc1ccc(C(N)=O)cc1 435879851 FVUFTEJEHQRSKM-UHFFFAOYSA-N 290.432 3.739 30 20 CHED CCC(CC)(CNC(=O)[C@H](C)C#N)c1ccc(Cl)cc1 524070617 JNVKPCXDOYNCAO-GFCCVEGCSA-N 292.810 3.674 30 20 CHED N#Cc1ccc(Cl)cc1N1CCO[C@@H](c2ccccc2)C1 522935341 MVHFOCGLDJYMPR-QGZVFWFLSA-N 298.773 3.790 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(SC2CC2)cc1 341054715 YNZYHTXXKKFSDF-LBPRGKRZSA-N 288.416 3.563 30 20 CHED C=CCOCCCN(Cc1ccccc1F)C(C)C 347975919 XCTUCQJLYILXOT-UHFFFAOYSA-N 265.372 3.629 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCC(=O)c2ccccc21 340007555 ZXHAORPNNRAVQO-CJNGLKHVSA-N 285.387 3.608 30 20 CHED C=CCn1cccc1-c1nc([C@H](C)Oc2ccccc2)no1 346382663 HMQWLCZUDBFJCT-ZDUSSCGKSA-N 295.342 3.864 30 20 CHED N#CC1(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 343317142 CLBPHNOZOJIZNW-UHFFFAOYSA-N 296.414 3.670 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1cccs1)C1CCCC1 538195105 OBEPFGSTYBMUGK-XJKSGUPXSA-N 279.449 3.754 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 435070976 VBNDFEIYINLUKS-ZIAGYGMSSA-N 284.403 3.531 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(C#N)c1 248557277 LJLYVYQHEUXDJF-OLMNPRSZSA-N 286.419 3.803 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@H](C#N)CCc1ccccc1 433236575 ZCOQVKOVIFUPJG-BPQIPLTHSA-N 298.430 3.796 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCC[C@H]1CCCC[C@H]1C 602550494 JQBUUQRPHPTEAG-BRWVUGGUSA-N 292.467 3.891 30 20 CHED CCC(CC)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 345479952 HMPMXFOHFAVPCH-UHFFFAOYSA-N 299.418 3.870 30 20 CHED COc1cc(/C=C\C(=O)c2sccc2C)cc(OC)c1 254975375 QFBZRVCMYHYPRS-PLNGDYQASA-N 288.368 3.970 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(-n2cccc2)cc1 345893728 WSNBQLIYIJZEOS-UHFFFAOYSA-N 295.386 3.537 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2ccc(CC)o2)o1 255497371 JAECAPNZOQDJPE-YVMONPNESA-N 288.299 3.508 30 20 CHED CC(C)(C)CCCn1c(C(F)(F)F)ccc(C#N)c1=O 603378198 SBGMWNGEBHFMGC-UHFFFAOYSA-N 286.297 3.565 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)C1CCCCC1 52338260 CQDGRXJDHRDZJJ-LBPRGKRZSA-N 260.356 3.756 30 20 CHED C=CCCCC(=O)N[C@H]1CCCc2ccc(C)cc21 344704050 NQHBLQIDTVJFKJ-INIZCTEOSA-N 257.377 3.845 30 20 CHED C=CC[C@H](CC)NCc1cnn(Cc2ccc(F)cc2)c1 341459923 LCADDBOYHPRRSN-KRWDZBQOSA-N 287.382 3.515 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CCc1ccc(C(C)C)cc1 608823875 JAOXOYKRYLRZJB-KRWDZBQOSA-N 286.419 3.797 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(C)c1-c1ccccc1 343520429 HDQSNSPMBWTCRR-AWEZNQCLSA-N 297.402 3.562 30 20 CHED N#C[C@H]1CC[C@H](NCCCCCc2ccccc2)C1 442790471 GRPYHKIRCLQHEI-IRXDYDNUSA-N 256.393 3.681 30 20 CHED CCN(C(=O)C1CC(F)(F)C1)[C@@H](C)c1ccc(C#N)cc1 440570153 HAKIXEQVORFXSE-NSHDSACASA-N 292.329 3.513 30 20 CHED COc1cc([C@@H](C)Nc2ccc(Cl)cc2C#N)ccn1 340934349 GRINMTBGJHWKFV-SNVBAGLBSA-N 287.750 3.788 30 20 CHED CC(C)OCc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442877530 ZWHRQYUZNPTVRX-CZUORRHYSA-N 258.365 3.716 30 20 CHED CCOc1ccc(Cl)c(NCc2cc(C#N)n(C)c2)c1 449441266 QCNMRMAOUCUOHP-UHFFFAOYSA-N 289.766 3.561 30 20 CHED C[C@@H]1CC[C@@H](c2noc(-c3ccc(C#N)c(Cl)c3)n2)O1 528230393 GJRIIOLYMKWKAI-PELKAZGASA-N 289.722 3.502 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H]2CC[C@H](C#N)C2)cc1 442776862 HTBXYPWUOLYUAS-AITUJVMLSA-N 298.430 3.745 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccnn1CCC(C)C 531570970 JKIJRWXBCXXPML-UHFFFAOYSA-N 275.396 3.636 30 20 CHED N#Cc1cnc(NCC(F)(F)c2ccccc2)c(Cl)c1 357626699 KJCBGFGUWGUKNA-UHFFFAOYSA-N 293.704 3.811 30 20 CHED C=CCOc1ccc(C(=O)N(CC)CC2CCC2)cc1 358182348 LIUDOSISEFRWLK-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F 352605329 LKBZPZSMLGFTKO-HZMBPMFUSA-N 282.309 3.866 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)c(F)cc2F)CC1 355676557 RFASQCAFNXXITG-UHFFFAOYSA-N 269.266 3.789 30 20 CHED CC(C)C1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 440270067 SAJAXTGUQKFBMI-UHFFFAOYSA-N 291.782 3.769 30 20 CHED N#Cc1ccccc1N(Cc1ccco1)C(=O)CC1CCC1 266629487 IGZDEMXKJSKLSD-UHFFFAOYSA-N 294.354 3.875 30 20 CHED C[C@]1(c2ccccc2)CCCN(CCCC#N)CC1 352187872 VJBGKSQJGPPUKG-KRWDZBQOSA-N 256.393 3.734 30 20 CHED C[C@@H](CN1CCC[C@](C)(C#N)C1)c1ccc(F)cc1 615136929 KFMDUODWQWGYTQ-XJKSGUPXSA-N 260.356 3.555 30 20 CHED C=CCSCCNC(=O)c1coc2ccc(CC)cc12 351588761 KIEBOUXFIQHNEK-UHFFFAOYSA-N 289.400 3.644 30 20 CHED COC1CCC(CCNC2CCC(C)(C#N)CC2)CC1 449239960 XEIOLPKRGOTPKX-UHFFFAOYSA-N 278.440 3.644 30 20 CHED N#Cc1ccccc1N(Cc1ccco1)C(=O)C1CC=CC1 353742708 DHHXXUJLEPFVBP-UHFFFAOYSA-N 292.338 3.651 30 20 CHED C=CCN(C(=O)Nc1ccc(CC)c(C)c1)C1CC1 536769165 WOCOYBPWOZZVTD-UHFFFAOYSA-N 258.365 3.740 30 20 CHED CSc1ccccc1NC(=O)N1CCC[C@](C)(C#N)C1 612292349 RYPMMLCNJLIWHY-OAHLLOKOSA-N 289.404 3.566 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(C)c1cccc(C(C)C)c1 448790595 AYXXPMLPJMHVIY-UHFFFAOYSA-N 281.359 3.595 30 20 CHED Cc1cc(C)c(NC(=O)N2CCC[C@@](C)(C#N)C2)c(C)c1 612290595 FLVKYFNNUZYLTI-KRWDZBQOSA-N 285.391 3.769 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](OCC)c1ccccc1 446848633 SWWTXROVPYUJIS-ZOBUZTSGSA-N 261.409 3.955 30 20 CHED N#Cc1csc(CNC[C@H]2CCc3ccccc3C2)c1 610488762 PWEDTAVLFWLXOU-ZDUSSCGKSA-N 282.412 3.514 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc2c(OC)ccnc12 534321996 ZNKHRJBYGFUMAU-UHFFFAOYSA-N 299.374 3.673 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@@H](C)c1ccc(F)cc1 536080047 KUXXZQIFEILIHQ-CXAGYDPISA-N 290.382 3.764 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCc2ccc(F)cc21 539390248 CNDDZXAFUURHLS-LRDDRELGSA-N 290.382 3.857 30 20 CHED C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)C(C)(C)C1 269740771 XAERFELQPFZNNA-GOEBONIOSA-N 299.418 3.861 30 20 CHED CC(C)[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CCO1 619748564 IQMIGIYYSPLJSG-HOCLYGCPSA-N 292.810 3.505 30 20 CHED CCOCCC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CC1 611394358 DMGUJGGCUDAYAC-GOSISDBHSA-N 298.430 3.732 30 20 CHED C=CCCC1(C(=O)N(C)[C@H]2C[C@@H](OCC)C23CCC3)CC1 361932716 NQIXVAYEOPLVKL-LSDHHAIUSA-N 291.435 3.539 30 20 CHED Cc1ccc(-c2cnn(Cc3cccc(C#N)c3)c2)cc1 537741005 XOBGBWHRQSLAQL-UHFFFAOYSA-N 273.339 3.779 30 20 CHED CCCCSCCC(=O)Nc1cccc(CC#N)c1 456728516 JRFALUINTLHTCM-UHFFFAOYSA-N 276.405 3.615 30 20 CHED CCC[C@@H](NC(=O)c1ccc(CC#N)cc1)C(C)(C)C 452676128 SLIRYCSAJIMZPZ-OAHLLOKOSA-N 272.392 3.697 30 20 CHED N#Cc1csc(C(=O)N2CCC(C3CCCC3)CC2)c1 361637474 XXIPMXHLSLIFND-UHFFFAOYSA-N 288.416 3.662 30 20 CHED CC(C)n1ncc2c1[C@H](NCc1ccc(C#N)cc1)CCC2 364884081 QJCBPXSDAXXUIZ-QGZVFWFLSA-N 294.402 3.503 30 20 CHED N#CCCCNC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 454789635 PXIASHCCNBIPOZ-IRXDYDNUSA-N 299.418 3.563 30 20 CHED CC(=O)Nc1cccc(CSCCC(C)(C)C#N)c1 276599461 JUOHITOHIYMHEV-UHFFFAOYSA-N 276.405 3.818 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc2ccccc2[nH]1 618967264 YJKPSNLZKDDJHA-IBGZPJMESA-N 287.366 3.817 30 20 CHED CCc1cccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)n1 453688848 HSAYSRSOIOWDDZ-LBPRGKRZSA-N 299.399 3.714 30 20 CHED CC1(C)CCCN(C(=O)[C@H]2C[C@]2(C)c2ccccc2)[C@@H]1C#N 451204349 UBJREDVUTMAFID-GPMSIDNRSA-N 296.414 3.505 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)C2CCOCC2)C1 365238684 VMSUXCRGASRBQE-MNEFBYGVSA-N 298.430 3.826 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC[C@H](c2ccccc2)C1 459235076 KNOCWBYUNCYGCU-INIZCTEOSA-N 299.418 3.515 30 20 CHED C=CCSCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 543746395 YKSRNRKGJXGVHR-RBSFLKMASA-N 281.465 3.628 30 20 CHED C=C(C)CCNC(=O)N(Cc1cccc(F)c1)C(C)C 458999588 LOSYWEPITFDWBV-UHFFFAOYSA-N 278.371 3.712 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@H]1CCc2ccccc21 458814796 VOUVCJKTXNPJOT-INIZCTEOSA-N 286.419 3.918 30 20 CHED CC(C)[C@@H](CC(=O)N1CCC(CC#N)CC1)c1ccccc1 543837112 DJQMPKDPTGNGEK-GOSISDBHSA-N 298.430 3.969 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2CCCF)cc1F 453377559 IQHXOQIGPJWMRE-CZUORRHYSA-N 278.346 3.705 30 20 CHED CC(C)(C#N)CCN1CC[C@@H](Oc2ccccc2Cl)C1 271994223 FQESJLMCFTXBIW-CYBMUJFWSA-N 292.810 3.733 30 20 CHED C/C(=C/c1ccccc1)CNCCc1cccc(C#N)c1 466421882 HNJMNSLNUPCGRF-VBKFSLOCSA-N 276.383 3.794 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 375847496 IACPRCJYGNGBSD-HZPDHXFCSA-N 272.392 3.540 30 20 CHED N#CC1(c2nc(-c3cccc4[nH]ccc34)no2)CCCCC1 273711762 IBLQZXDPENXGBH-UHFFFAOYSA-N 292.342 3.943 30 20 CHED C=CCC[C@H](C)NCCc1c[nH]c2cc(F)ccc12 541737296 UZDRYDRWSQAJLV-LBPRGKRZSA-N 260.356 3.794 30 20 CHED C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)CC1(C)C 545421392 XQXPNTXPNXYGMP-GFCCVEGCSA-N 260.356 3.565 30 20 CHED N#Cc1cnc2ccccc2c1N1CC[C@H](c2ccco2)C1 377836644 CZGMLNVNQZJECD-ZDUSSCGKSA-N 289.338 3.693 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC[C@H](C)C1 540645856 MRTXZGUUVKEDLG-UONOGXRCSA-N 275.367 3.777 30 20 CHED C=C(C)Cn1c(CC)nnc1N(C)C[C@H](C)c1ccccc1 549287921 QDKTWRFNEPRBHS-HNNXBMFYSA-N 298.434 3.657 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCC(C)=C(C)C1 460580514 WSVPBGVORLMWKS-UHFFFAOYSA-N 288.439 3.743 30 20 CHED Cc1cc(N2CCC[C@@H](CC(C)C)C2)cc(C#N)n1 553147699 NFTWHOFAUMSEKP-AWEZNQCLSA-N 257.381 3.524 30 20 CHED C#CCC1(c2nc(Cc3ccc(C)nc3)no2)CCCCC1 289126844 MZMJFRYINHEJFE-UHFFFAOYSA-N 295.386 3.589 30 20 CHED Cc1cc(C)nc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 281105865 HAERBTDKZRLCLF-UHFFFAOYSA-N 293.370 3.752 30 20 CHED C=CCN(CC=C)c1nnc(-c2ccc(C)s2)n1CC 460209518 FJRJTRSAPWCFIR-UHFFFAOYSA-N 288.420 3.513 30 20 CHED N#CC1CCN(CCn2ccc3cc(Cl)ccc32)CC1 289541098 CNBBZBDVOZBZDI-UHFFFAOYSA-N 287.794 3.530 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1cccc(C(=O)O)c1 806559131 VOBIGYPRRDJRFM-ZHACJKMWSA-N 296.322 3.680 30 20 CHED CC(C)(C)c1ccc(C(=O)OCCCSCC#N)cc1 805338727 MZIBSWFACBIUOO-UHFFFAOYSA-N 291.416 3.788 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1ccccc1SC 802840323 WHOOUTSCLUTCKE-ABAIWWIYSA-N 277.389 3.953 30 20 CHED C=CCCc1noc([C@@H]2C[C@@H]2c2cccc(F)c2F)n1 297273572 KXIPHJGTTHONGX-GHMZBOCLSA-N 276.286 3.738 30 20 CHED C=C(C)C[C@@H](C)C(=O)NC12CC(c3ccccc3)(C1)C2 641697355 DGJUQANTFGPHPI-RWBZWWBESA-N 269.388 3.579 30 20 CHED Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C#N)cn2)o1 562442399 RIVPIMBYXSXQBO-CXAGYDPISA-N 295.386 3.828 30 20 CHED C#Cc1ccc(CN2CCc3sccc3[C@H]2C)cc1 809541150 PNHMTKSRWVYKDW-CYBMUJFWSA-N 267.397 3.849 30 20 CHED C=CCOc1ccc(CN[C@H](CO)CCC(C)(C)C)cc1 475673518 QPAUWTRRGKJTDA-INIZCTEOSA-N 291.435 3.528 30 20 CHED N#CCCC1CCN(CCc2ccccc2Cl)CC1 564916448 CNPRTENRCJCWGP-UHFFFAOYSA-N 276.811 3.898 30 20 CHED C[C@@H](C#N)OCCNc1ccccc1COc1ccccc1 802741848 UOQGTZADZUKHJX-HNNXBMFYSA-N 296.370 3.606 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)Cn1ccc2ccccc21 803794315 PJVLFGOSYNIIGW-NSHDSACASA-N 277.751 3.573 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1COC(C)(C)C 479249614 RUZTTZMMJVBIDN-UHFFFAOYSA-N 275.392 3.650 30 20 CHED CCN(CCc1ccc(F)cc1Cl)C[C@@H](C)C#N 564763484 XHYAJEVUFNXHOH-NSHDSACASA-N 268.763 3.503 30 20 CHED CC(=NN[C@@H]1CCSC1)c1ccc(OC(C)(C)C)cc1 808004495 QWDASJCJTKVMQG-CQSZACIVSA-N 292.448 3.683 30 20 CHED CCCCCCCCNCc1cnc([C@@H](C)O)s1 809601511 DRHSABTXYDMNAF-GFCCVEGCSA-N 270.442 3.647 30 20 CHED CCCCCCC[C@H](C)CNCc1cn(C)cn1 808380968 JPJJEAUXAYOCSA-AWEZNQCLSA-N 251.418 3.506 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2cc(F)c(F)cc2F)C1 800812543 HGTGDXFCFNUXML-RKDXNWHRSA-N 256.271 3.938 30 20 CHED C=CCN(Cc1ccccc1)C(=O)COc1ccccc1C 642112845 QWIGHKPMOCAZGD-UHFFFAOYSA-N 295.382 3.589 30 20 CHED CCC[C@H]1[C@H](C)CCCN1c1ccc(C#N)c(C)n1 488124742 KOAXQYHYPSLHSN-DOMZBBRYSA-N 257.381 3.667 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)OCC1(C#N)CCC1 816023145 RUJTVHUVKFCDIK-UHFFFAOYSA-N 286.375 3.618 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OC(F)F)cc1 489431754 RWYFVOOZVHMKQY-CYBMUJFWSA-N 267.319 3.829 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NOC/C=C/Cl)C1 814933796 ACWQXZNRDAWDSB-QENDEZDSSA-N 287.787 3.645 30 20 CHED Cc1cc(C=NOCCOC(C)C)c(C)n1CC(C)C 812239004 KWNLHGDNJQNNPM-UHFFFAOYSA-N 280.412 3.536 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1c(C)nn(C(C)C)c1C 819815229 OBSRQHHJACJYQZ-LBPRGKRZSA-N 299.422 3.551 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1cccc(F)c1 812240773 RNHSNMORUOFWFM-ALCCZGGFSA-N 274.266 3.870 30 20 CHED C#CCC(C)(C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 810823878 LIQOVVOHPDRSRU-LLVKDONJSA-N 288.416 3.666 30 20 CHED C[C@H]1CCC[C@H](N2CCC(=NOC3CCC3)CC2)C1 812235799 QKXBQENECLFPCB-ZFWWWQNUSA-N 264.413 3.586 30 20 CHED CCN(CC)Cc1cc(C(C)=NOC2CCC2)ccc1O 812237066 ISVWXWRFHBSJPW-UHFFFAOYSA-N 290.407 3.527 30 20 CHED C=CCC[C@H](CCC)NC[C@@](C)(C(=O)O)c1ccccc1 650801875 CHXISJLKUQJNAY-FUHWJXTLSA-N 289.419 3.753 30 20 CHED C=CCn1c(SCC2CC=CC2)nnc1-c1ccncc1 657230414 SKRLIYORWWQLQB-UHFFFAOYSA-N 298.415 3.584 30 20 CHED C#C[C@@H](NC(=O)c1cccc(C)c1)c1ccc(Cl)cc1 811947720 NAFBRMIUGYIXOV-MRXNPFEDSA-N 283.758 3.753 30 20 CHED CCC/C=C\C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813216381 QFIUMEHYPWMZGG-WYGGZMRJSA-N 282.265 3.633 30 20 CHED CC(=NOCC1CC1)c1ccc(Br)s1 814242255 WOZAFZZGAJWNKM-UHFFFAOYSA-N 274.183 3.661 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCCC[C@H]1C 651793125 ZTHHZUBDWDSHEH-FPCVCCKLSA-N 251.414 3.526 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc(Br)o1 814916973 GJOBOIJZWFRXRP-SNVBAGLBSA-N 285.185 3.544 30 20 CHED CCC(=NOCCOC(C)C)c1ccc(Cl)cc1 812238987 KKZSTROMULPONC-UHFFFAOYSA-N 269.772 3.896 30 20 CHED CCOc1ccc(NN=Cc2ccc(Cl)nc2)cc1 814984002 JNJVFBTWGQFONL-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(CCCO)=NNc1nc(Cl)c(Cl)cc1Cl 814741095 LZVLMBIQXYUKEJ-UHFFFAOYSA-N 296.585 3.602 30 20 CHED C=CCCCCCCCNC(=O)c1cc(CC)nnc1C 810768199 HHYHRPRYDUVSCV-UHFFFAOYSA-N 289.423 3.604 30 20 CHED CN(CCC#N)c1ccc(CNC[C@@H]2C[C@H]2C2CCC2)cc1 818223485 YJHMGPCBKBEPPJ-HKUYNNGSSA-N 297.446 3.562 30 20 CHED CC(C)(C)[C@H]1CCCN(c2c(C#N)cccc2C#N)C1 481032225 DNIIDVKNCHPLOJ-HNNXBMFYSA-N 267.376 3.692 30 20 CHED C#CCCOC(=O)C(CC)(CC)c1ccc(Cl)cc1 727041790 FQXWDTMNWPVEQX-UHFFFAOYSA-N 278.779 3.964 30 20 CHED C=C(C)CNC(=O)NCC(C)(C)c1cccc(Cl)c1F 488562162 HEOVDYZSEIUSRU-UHFFFAOYSA-N 298.789 3.632 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C)cn1 572321574 VOHMCELYVTVXRK-UHFFFAOYSA-N 287.407 3.990 30 20 CHED C#CCCCOc1c(C(C)=O)cccc1C(F)(F)F 829539349 SMOFJBZDIIAHLT-UHFFFAOYSA-N 270.250 3.700 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(C)nc2C)C1 666315267 VWBCKTYFCLHCST-AWEZNQCLSA-N 273.380 3.518 30 20 CHED COc1cc(Cl)c(C=NNc2ccccc2)cc1OC 728695333 YJNDUWHJBPFNJZ-UHFFFAOYSA-N 290.750 3.803 30 20 CHED C#CCCOC(=O)CCCc1ccc(Cl)c(Cl)c1 727041849 MAEQVQSMIBTLHH-UHFFFAOYSA-N 285.170 3.883 30 20 CHED C=CCCC(=O)O[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 726651761 VLKWUTKFIONKDE-LBPRGKRZSA-N 286.331 3.615 30 20 CHED C=CCN(CC(=O)Nc1c(C)cccc1Cl)C(C)(C)C 661760750 ZDSAJIVXCRIXMX-UHFFFAOYSA-N 294.826 3.873 30 20 CHED CC(=NNc1nncc2ccccc12)c1sc(C)nc1C 726738510 XJKOVPMVWIPNLC-UHFFFAOYSA-N 297.387 3.539 30 20 CHED C=C(C)CNC(=S)N(Cc1ccccc1)CC(C)(C)C 728790142 OEUJSVJTYODUPP-UHFFFAOYSA-N 290.476 3.985 30 20 CHED CC(C)[C@H]1N(Cc2ccc(C#N)cc2F)CC1(C)C 580442195 GBKUFCAJVKSDNS-OAHLLOKOSA-N 260.356 3.564 30 20 CHED C=CCCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 735532431 NVWUICVIEILVBF-UHFFFAOYSA-N 291.328 3.933 30 20 CHED CCN(CC)c1ccc(C=NNCc2ccccc2)cc1F 739413540 RRLJKWOWFDNXAX-UHFFFAOYSA-N 299.393 3.796 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc3nc(O)[nH]c3c2)c1C 731157157 SQLFXSFEKRFOJQ-CLFYSBASSA-N 292.338 3.781 30 20 CHED C=CCC1(C(=O)Nc2cnc3c(cnn3C(C)C)c2)CCC1 584873887 OSUIBLQUMCBJKE-UHFFFAOYSA-N 298.390 3.697 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 835348203 LBVZCRFXUGYGKO-FHSNZYRGSA-N 293.370 3.632 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)C1 494380044 ZZWCZMMDWOWBOY-LSDHHAIUSA-N 278.440 3.991 30 20 CHED CCC(=NN[C@@H](C)C(F)(F)F)C1CCCCC1 835003420 YGSVPMMWPTZZAH-VIFPVBQESA-N 250.308 3.873 30 20 CHED Fc1cnccc1C=NNc1cccc2c1CCCC2 834942164 MEWYZNDWXQDWAN-UHFFFAOYSA-N 269.323 3.546 30 20 CHED C=CCCCC[C@H](C)NC1(CC=C)CCOCC1 668551524 PJRFSUPTVMEAAF-HNNXBMFYSA-N 251.414 3.836 30 20 CHED COCOc1ccc(C#N)cc1-c1ccc(OC2CC2)cc1 904881953 PPNPMYYPRPLPKE-UHFFFAOYSA-N 295.338 3.749 30 20 CHED C=CCC[C@@H](NC/C=C/c1c(C)cc(C)cc1C)C(=O)O 901689655 HBGHNCKMSNOAOF-IWAYRVGRSA-N 287.403 3.634 30 20 CHED CCC(Cc1cccs1)=NNCc1ccc(OC)cc1 730946906 TZWCEHSSWHKVOY-UHFFFAOYSA-N 288.416 3.855 30 20 CHED C=CCC1(C(=O)Oc2ccc(C#N)cc2F)CCCC1 839305893 ZMMNKNZWMIMNFO-UHFFFAOYSA-N 273.307 3.739 30 20 CHED CCc1ccc(C=NN[C@@H]2CCc3c(F)cccc32)o1 835020457 MAIMEKULGHYUQN-MRXNPFEDSA-N 272.323 3.592 30 20 CHED COc1ccc(CCNN=Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 737440189 XPKKQVKKEVIYNJ-SUMWQHHRSA-N 298.386 3.578 30 20 CHED N#CCCCCCC(=O)Nc1nc2ccccc2s1 588264550 XQVWSWBLEWPCKD-UHFFFAOYSA-N 273.361 3.709 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1cnc(C)o1 837774902 FAYATZABMCRWAL-CYBMUJFWSA-N 295.427 3.779 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C#CC(C)(C)C 837335803 ZQFDDLWTHZBFPP-GFCCVEGCSA-N 277.795 3.909 30 20 CHED C=C(CNC(=O)C1(C)CCCCC1)c1ccccc1 673341950 AGYXTLUOFCUOIL-UHFFFAOYSA-N 257.377 3.786 30 20 CHED C[C@@H]1CC=C(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)CC1 835349397 VBWAPGKEVAJHRQ-OCCSQVGLSA-N 291.354 3.552 30 20 CHED C=CC(C)(C)COC(=O)[C@H]1CCC(=O)c2ccccc21 835721466 KNDAMEVLTCIYEI-AWEZNQCLSA-N 272.344 3.502 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cc(C)n(C(CC)CC)n1 839043953 WAWGEHVTKCSLKK-CYBMUJFWSA-N 276.380 3.511 30 20 CHED COc1ccccc1C(C)=NNc1ccc(F)cc1F 916247971 AUTDCDQXMQWTCO-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CC(C)(Cc1ccccc1)C(=O)OCc1ccccc1C#N 735559835 XOQSVZWCRBXGNS-UHFFFAOYSA-N 293.366 3.870 30 20 CHED COc1cccc([C@H](C)/N=C\c2cc(OC)ccc2O)c1 917558351 MKZMZDDHAZFXDZ-SJWFJVLYSA-N 285.343 3.590 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)N[C@H](C)c1cccc(C#N)c1 590807939 ZURJIPAUSFOJQR-CHWSQXEVSA-N 287.407 3.743 30 20 CHED C[C@H](NCc1cc(Cl)ccc1O)c1cccc(C#N)c1 743497718 ZKGSYEAHPHNKDG-NSHDSACASA-N 286.762 3.768 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(Cl)ncc2Cl)C1 839449341 MZKWBNJFHATGNK-IUCAKERBSA-N 299.157 3.628 30 20 CHED C=C(C)CN1CCC(N[C@@H]2c3ccccc3CC[C@H]2C)CC1 678769134 LOYWLDJMIXBSDZ-UZLBHIALSA-N 298.474 3.940 30 20 CHED C=CCCSCCNCc1cc(C)c2ncccc2c1 594960386 PLUVZIIPOHGCAI-UHFFFAOYSA-N 286.444 3.942 30 20 CHED C=C(C)CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1 744304815 FDOIHROCMREBDN-UHFFFAOYSA-N 290.750 3.649 30 20 CHED CC1(C)CCC[C@H]1NC(=O)CC1(C#N)CCCCC1 597356421 VUTNHFWNLRUCGI-CYBMUJFWSA-N 262.397 3.545 30 20 CHED C[C@@H](C#N)OCCSCc1sccc1Cl 842183054 KFFWUUDPLIXXDF-QMMMGPOBSA-N 261.799 3.563 30 20 CHED C=CCCOCC(=O)N1c2ccccc2CC[C@H]1CCC 675439037 PFJWAFPXUKYEIA-MRXNPFEDSA-N 287.403 3.727 30 20 CHED C[C@H](OC(=O)c1cccc2cc[nH]c12)c1cccc(C#N)c1 744099863 CXEZXDOBTRKUSV-LBPRGKRZSA-N 290.322 3.958 30 20 CHED CCCCCCCC(=O)N1CC2(CCOCC2)C[C@@H]1C 843721148 MZEKHURCTZFZEC-HNNXBMFYSA-N 281.440 3.765 30 20 CHED Cc1cccc2c1C/C(=C\c1cc(C#N)cs1)C2=O 748440590 OHJWFVUWOWKYMJ-WUXMJOGZSA-N 265.337 3.751 30 20 CHED C=CCC[C@H](NC[C@H]1COc2ccccc2C1)C1CC1 747866441 KFOASGKHLKFUKB-YOEHRIQHSA-N 271.404 3.572 30 20 CHED C=C(C)COC(=O)CCOc1ccc(Cl)cc1Cl 917320812 RACMBWAEXXQNKN-UHFFFAOYSA-N 289.158 3.882 30 20 CHED CCN(CCCN[C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 593660985 VEXRWUFWBQVOCR-DLBZAZTESA-N 291.483 3.703 30 20 CHED CC(C)(F)CCNc1c(C#N)cnc2c(F)cc(F)cc12 596468487 JHEDJIMUFJNWAD-UHFFFAOYSA-N 293.292 3.935 30 20 CHED N#CCN(C(=O)C[C@@H]1C=CCCC1)c1ccc(Cl)cc1 592653257 RSJSWDOSATUDTO-CYBMUJFWSA-N 288.778 3.943 30 20 CHED CC[C@H](CC#N)NC(=O)CCCc1ccc(SC)cc1 592789239 AQMPPMAQPWVUBJ-CQSZACIVSA-N 290.432 3.540 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)[C@H](C#N)CC 593450245 KBPWSFFDGZOODN-VIFPVBQESA-N 282.796 3.940 30 20 CHED C=CCC1(CNC(=O)Nc2ccc(N)cc2)CCCC1 841298832 RTBKAPAROWPQRE-UHFFFAOYSA-N 273.380 3.527 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 593706998 DLDWGJJYJHXXML-NWDGAFQWSA-N 284.334 3.706 30 20 CHED Cc1ccc(CCNC(=O)CC2(C#N)CCCCC2)cc1 597257962 MOLMITHSZXEBHY-UHFFFAOYSA-N 284.403 3.518 30 20 CHED CC(C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915354281 ZBZNTXUTHFGBDQ-KRWDZBQOSA-N 293.370 3.872 30 20 CHED Cc1cc(N2[C@H]3CC[C@H]2CC(C)C3)c(C#N)cc1[N+](=O)[O-] 596537126 BARCVCLNFKMONB-KBPBESRZSA-N 285.347 3.542 30 20 CHED C=C(Cl)COC(=O)c1cccc2c(C)c(C)[nH]c12 913333588 CMWZBBLPSIICAF-UHFFFAOYSA-N 263.724 3.694 30 20 CHED CCC[C@H](C(=O)N(CC#N)C1CC1)c1cccc(Cl)c1 599154837 MJVLMPGKKUDLGV-HNNXBMFYSA-N 290.794 3.738 30 20 CHED Cc1c(-c2ccc(Cl)cc2)nnn1CC1(CC#N)CC1 596275477 RPXLNHZQCMPLMZ-UHFFFAOYSA-N 286.766 3.601 30 20 CHED C(=NNc1ncnc2sc3c(c12)CCC3)c1ccccc1 916310235 UWBSZOHJUPECKU-UHFFFAOYSA-N 294.383 3.626 30 20 CHED CSc1ccc(CCCC(=O)O[C@@H](C#N)C2CC2)cc1 842727648 OKMJIAJHENCXEA-HNNXBMFYSA-N 289.400 3.577 30 20 CHED CCC1(CC)CCCN(C[C@H](O)CC(C)(C)C#N)CC1 598615706 LCFZKYGXUCUTBF-OAHLLOKOSA-N 280.456 3.579 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@]2(C)CCc3ccccc32)n1 842678194 ZWNRWKFWRHJMSG-DYVFJYSZSA-N 296.395 3.532 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1cc2ccccc2s1 593459391 VCOOSMJNFQKAAR-GHMZBOCLSA-N 272.373 3.628 30 20 CHED Cc1cccc(C(=O)/C=C\c2c(C3CC3)cnn2C)c1C 849244434 BFLJTNVASXGUSN-KTKRTIGZSA-N 280.371 3.810 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)Cc2c(F)cccc21 921264662 WVDXEAUIAFIEIW-POHAHGRESA-N 274.241 3.926 30 20 CHED C#CC[C@H](NC(=O)NCc1cccc(C)c1)c1ccccc1 757005299 GPXVKSNONQZYMO-SFHVURJKSA-N 292.382 3.559 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C=C(C1CC1)C1CC1 851212920 XDCHXSLHOFZYDB-NSHDSACASA-N 261.365 3.604 30 20 CHED Cc1cc(F)ccc1NN=Cc1c(C)nc2ccccn12 750938993 SCNJNEUQBVRCFY-UHFFFAOYSA-N 282.322 3.536 30 20 CHED Cc1ccc2c(c1)C(=NNc1nccnc1Cl)CCC2 753921731 MCABZCPUYZEELI-UHFFFAOYSA-N 286.766 3.591 30 20 CHED Cc1ccc(C=NNc2nc(C(F)(F)F)cs2)o1 755903138 DTSYEBKLEAVLFL-UHFFFAOYSA-N 275.255 3.509 30 20 CHED C#Cc1cccc(NC(=O)N(CC)CC(CC)CC)c1 752629994 IDHCPMLTEACBOQ-UHFFFAOYSA-N 272.392 3.958 30 20 CHED CC1(C)CCC[C@H](C=Nn2cc(Br)cn2)C1 752743535 VCBAKCMVMSWFNB-JTQLQIEISA-N 284.201 3.696 30 20 CHED C=CCOC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920115662 SYQNKLUTWQKQEE-UHFFFAOYSA-N 297.141 3.522 30 20 CHED C#Cc1ccccc1C(C)=NNc1cc(F)cc(OC)c1 753708831 KQGPPGJTGWAEIP-UHFFFAOYSA-N 282.318 3.652 30 20 CHED C#C[C@](C)(CC)N[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 852101681 GPMOYWYNSVDSDM-KBXCAEBGSA-N 297.402 3.806 30 20 CHED C=CCCCOC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 753500514 ZQWZCEXYNQTNHW-UHFFFAOYSA-N 277.364 3.772 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ncco1 926592122 RSCKSNWSGWYYTL-ZFWWWQNUSA-N 256.349 3.513 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCc1c[nH]c2ccccc12 851214730 VVZLKJSCGVRDJP-CYBMUJFWSA-N 298.386 3.972 30 20 CHED N#CC1(CCCCN2CCc3sccc3C2)CCC1 929199355 QZLBLCCJKCJTBJ-UHFFFAOYSA-N 274.433 3.970 30 20 CHED C=CCCN=[S@@](=O)(c1ccccc1)C(F)(F)F 853727532 KQLYLQFFHHQCEV-QGZVFWFLSA-N 263.284 3.609 30 20 CHED Cc1ccc(COC(=O)c2ccc(C#N)s2)cc1C 758500667 DMDJPMKBEBCXFE-UHFFFAOYSA-N 271.341 3.594 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cc(F)ccc2F)co1 752884247 DVIWMOVYAMBANB-ZZXKWVIFSA-N 277.270 3.972 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(O)ccc2O)c(C)c1 757467556 FTSSQXXVEHFLBD-FNORWQNLSA-N 268.312 3.611 30 20 CHED C#CCN(Cc1cc(C2CC2)no1)[C@H]1CCc2ccccc21 851736732 VREJLYBDMNWXCU-IBGZPJMESA-N 292.382 3.675 30 20 CHED C=C(C)CONC(=O)Nc1cccc(COC(C)(C)C)c1 933196274 ARFYAFDXYGUIQU-UHFFFAOYSA-N 292.379 3.631 30 20 CHED C#C[C@@H](OC(=O)CC[C@@H]1CCCCO1)c1ccc(C)cc1 860964153 KPBHFWGYJIBIOY-DLBZAZTESA-N 286.371 3.562 30 20 CHED C#CCC(C)(C)C(=O)NCCCCCCCCC 767048223 VQIIFJQNUHOQJU-UHFFFAOYSA-N 251.414 3.903 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(F)c([N+](=O)[O-])c2)C1 769823116 SXKYZWKFSPDPNF-SECBINFHSA-N 265.288 3.712 30 20 CHED FC(F)(F)CON=C1C[C@H]2CCCc3cccc1c32 763370765 UHBLPWBEQCRNOO-SNVBAGLBSA-N 269.266 3.793 30 20 CHED C[C@H](CCC#N)CNCc1cccc(Cl)c1F 1119243289 ONXBPWHUSBTFMM-SNVBAGLBSA-N 254.736 3.509 30 20 CHED CC(=NNc1ccccc1Cl)c1cccc(C(=O)O)c1 764649534 OZZABDLPRDSAMQ-UHFFFAOYSA-N 288.734 3.874 30 20 CHED Cc1ccnc(NN=Cc2cccc(-c3cccnc3)c2)c1 768485349 PDRCKZBCOCDKTN-UHFFFAOYSA-N 288.354 3.898 30 20 CHED C#CCC(C)(C)C(=O)NCC(C)(C)c1ccc(CC)cc1 767092072 RVTSZSJVBPEYMQ-UHFFFAOYSA-N 285.431 3.692 30 20 CHED C(=NNc1ncnc2ccsc12)c1c[nH]c2ccccc12 764840779 LAIQHUACRZIDOK-UHFFFAOYSA-N 293.355 3.619 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1sccc1OC 764433321 QUUOVXQIQZEAAU-SREVYHEPSA-N 288.368 3.970 30 20 CHED CCC/C(C)=C\C(=O)Nc1ccc(C#N)cc1Cl 769732053 YXWVMQWEOFLDRD-YFHOEESVSA-N 262.740 3.897 30 20 CHED C=CC[C@H](N[C@H]1CCc2c(OC)cccc21)c1ccncc1 1116296641 UHALEUHOBSYRQM-ROUUACIJSA-N 294.398 3.985 30 20 CHED C(=NNc1ccccc1)C1([C@@H]2CCCCO2)CCC1 872323835 ARIYFOGSJDHNPM-HNNXBMFYSA-N 258.365 3.824 30 20 CHED C#CCCN[C@H](Cc1ccccc1)c1ccccc1F 775456210 YVDVQEFQFNEPES-GOSISDBHSA-N 267.347 3.722 30 20 CHED C=C(Cl)CN[C@@H](c1ccc(OC)cc1)C(C)C 779963401 LTBOOJWWGDLXJV-CQSZACIVSA-N 253.773 3.734 30 20 CHED C#CCCCCCC(=O)N(C)c1ccc(C)cc1C 779855480 TYUBWSAFFHNTFU-UHFFFAOYSA-N 257.377 3.850 30 20 CHED N#Cc1ccc(NN=Cc2cc(F)cc(Cl)c2)cc1 776724658 WOFGAEUWCHBADO-UHFFFAOYSA-N 273.698 3.797 30 20 CHED CCc1cccnc1C(C)=NNCCCc1ccccc1 779773953 QROUKORWOPRRCI-UHFFFAOYSA-N 281.403 3.590 30 20 CHED C=C(CC)COC(=O)Cc1c[nH]c2cc(Cl)ccc12 773503752 ATXWBMJVYWRYOX-UHFFFAOYSA-N 277.751 3.873 30 20 CHED C=C(Cl)CNC(=O)Nc1c(C)cccc1SC 771284717 AIGXBZWXUSKOIS-UHFFFAOYSA-N 270.785 3.591 30 20 CHED N#CC1(COC(=O)c2cccc3c4c([nH]c23)CCCC4)CC1 775840122 BPGBNAYQWXFFOI-UHFFFAOYSA-N 294.354 3.507 30 20 CHED CC(=NOC1CCCC1)c1ccc(-n2ccnc2C)cc1 774597926 YKYLGKHLEIOQFM-UHFFFAOYSA-N 283.375 3.864 30 20 CHED CC(C)Oc1ccc(NC[C@H](C)CCC#N)c(F)c1 876835599 YMUWGPNURUGRSM-GFCCVEGCSA-N 264.344 3.965 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]2C)cc1 772960966 XDAAJHQZHUXGSU-JKIFEVAISA-N 257.377 3.538 30 20 CHED CC1(N2CCCC2)CCC(=NOC2CCCC2)CC1 884445511 PDAWZKZCJMUSEU-UHFFFAOYSA-N 264.413 3.730 30 20 CHED CCCC(Cc1ccccc1)=NOC1CCOCC1 774431824 KGSRQBMSQLMBBN-UHFFFAOYSA-N 261.365 3.581 30 20 CHED C#CC[C@@H](NC(=O)N[C@H]1CC12CCCCC2)c1ccccc1 770790737 FYFMNMZCEGDNNQ-SJORKVTESA-N 296.414 3.773 30 20 CHED COc1cc(NC(=O)C2(C#N)CC(C)C2)cc2ccccc12 887080236 OEJIYGILDFYORB-UHFFFAOYSA-N 294.354 3.727 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCc2cccc(Cl)c21 1125631674 MTUVIAIIWGFMCW-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=CCC[C@@H](NC(=O)N(C)CCCF)c1ccccc1 884230433 RNMOCEKCCTZXLQ-OAHLLOKOSA-N 278.371 3.695 30 20 CHED C=CCC1(O)CCN([C@@H](C)c2ccc(Cl)cc2)CC1 886761262 AFCFDKNHPGMDEH-ZDUSSCGKSA-N 279.811 3.804 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cccc(-c2ccncc2)c1 788036403 IYZUOONKQAANJW-HNNXBMFYSA-N 296.370 3.526 30 20 CHED C=C(C)CCNC(=O)c1cc(Br)cn1C(C)C 386678094 HOHIBFWSQAOYMM-UHFFFAOYSA-N 299.212 3.528 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1C 75913712 QVMMQABVEYSGCO-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1C[C@H]2C=C[C@H]1C2 882948143 HEBONVDOBQFJLM-GWCFXTLKSA-N 281.746 3.525 30 20 CHED O=C(O)c1ccc(NN=Cc2cc(Cl)cs2)cc1 782098414 SJXQLOXAWIQNKN-UHFFFAOYSA-N 280.736 3.546 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CCCCC1 788450931 WWDZMJFVYGOYND-HOTGVXAUSA-N 273.420 3.751 30 20 CHED CC#CCCOC(=O)C(C)(C)c1ccc(Cl)cc1F 789223393 VOPSODINHLABQB-UHFFFAOYSA-N 282.742 3.713 30 20 CHED Cc1ccc(C(=O)/C=C/C(=O)Nc2cc(C)ccc2C)cc1 899903593 PYBSIXLQIPAAOD-ZHACJKMWSA-N 293.366 3.989 30 20 CHED CC(=NNc1ccnc(F)c1)C1CCC(F)(F)CC1 788726364 UPTVAYRZXOXZIC-UHFFFAOYSA-N 271.286 3.834 30 20 CHED N#Cc1cccc(NC(=O)CCCc2ccsc2)c1 783029855 HHRLTYVIMHIRBG-UHFFFAOYSA-N 270.357 3.581 30 20 CHED N#CC1(CCCCOc2ccc3c(c2)CNC3)CCC1 899587968 BJZCQHFKGIEKHD-UHFFFAOYSA-N 270.376 3.533 30 20 CHED C[C@H]1CCCC(=NNc2cccc(Cl)n2)[C@H]1C 793174965 OWWFAYYPGBWHMJ-UWVGGRQHSA-N 251.761 3.959 30 20 CHED CCCCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H](C)CC 799307636 RAUVPPDCFDAYFA-AWEZNQCLSA-N 272.392 3.908 30 20 CHED N#Cc1ccc(C(=O)OCCC2CCCCCC2)o1 797217379 BMRIQXNVMWYINR-UHFFFAOYSA-N 261.321 3.669 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C1CCCCC1 702397413 JHIYWSDHHOLDPK-UHFFFAOYSA-N 262.740 3.730 30 20 CHED C=C(CC)COC(=O)C[C@H](CC#N)c1ccccc1 795980455 JMXQCGNPSXUVLE-HNNXBMFYSA-N 257.333 3.583 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1oc2ccccc2c1C 557539287 KCWGYXPSAUFJJK-ZIAGYGMSSA-N 273.376 3.576 30 20 CHED Cc1ccncc1C=NNCc1c(Cl)cccc1Cl 793116076 WFSBFUPIIWQQCT-UHFFFAOYSA-N 294.185 3.821 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1ccc(Cl)nc1 797786724 JBRSMKPYFQNWGN-UHFFFAOYSA-N 289.791 3.965 30 20 CHED COc1cc(/C=C2\CCc3ccccc3C2=O)ccc1C#N 799495613 QKHZHPRYRLKATN-XNTDXEJSSA-N 289.334 3.779 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H](C(C)(C)C)C1 794348604 PYDBZDLUWIBJMV-HNNXBMFYSA-N 263.425 3.855 30 20 CHED CC(=NNCc1c(Cl)cccc1Cl)[C@H]1CCCO1 793118076 SNFKPMHKUZNWMW-CYBMUJFWSA-N 287.190 3.638 30 20 CHED CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NN[C@H](C)C(C)(C)C 793114316 FTJQWBATQLASDA-DGCLKSJQSA-N 299.459 3.690 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNc1nc(O)c2ccccc2n1 797401215 FUVPYJNRWGYNAZ-RYUDHWBXSA-N 298.390 3.950 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C2CCC[C@H]2CCF)o1 794899180 IJGKZZHYYPYHRU-JTQLQIEISA-N 292.358 3.771 30 20 CHED Cc1cc(C)c([C@@H](C)OC(=O)c2ccc(C#N)o2)c(C)c1 796143088 DCBWWVJFUAUDSX-CYBMUJFWSA-N 283.327 3.995 30 20 CHED CCCCCCCCNC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 792149051 PYVMNBUOYCNSHX-GOEBONIOSA-N 296.455 3.556 30 20 CHED C#C[C@H](N[C@@H](CC)c1ccc(F)cc1F)C(C)C 798398966 ZTAUKZCIWPGQGQ-GJZGRUSLSA-N 251.320 3.663 30 20 CHED COc1ccccc1CON=Cc1ccc(C)cc1C 799117172 FYIIEWVUJOZPSW-UHFFFAOYSA-N 269.344 3.863 30 20 CHED C[C@H]1CSCC1=NNc1c(F)cccc1Cl 794930029 ARNYPAGIMLPXHP-ZETCQYMHSA-N 258.749 3.630 30 20 CHED CCc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 84200260 GZGPGTSLZRLPGT-AWEZNQCLSA-N 264.372 3.971 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC1 582548402 XDDJIHTVMHPICK-HNNXBMFYSA-N 276.424 3.911 30 20 CHED CCCCCCCN1CCC[C@H]1c1cn(C)nc1C 759430076 JRDUDYPUQSVLEF-INIZCTEOSA-N 263.429 3.836 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2CCC3(CC2)CC3)c1 695665748 DCAXDIORXRNCON-UHFFFAOYSA-N 268.360 3.776 30 20 CHED CC(C)(C)ON=Cc1cccc(OCc2ccccn2)c1 1319576852 JJKVKQLKWYNGHE-UHFFFAOYSA-N 284.359 3.810 30 20 CHED C=CCNC(=O)Nc1ccc(C)c(Cl)c1Cl 1319777062 XBMQNUPJASTZEU-UHFFFAOYSA-N 259.136 3.609 30 20 CHED C[C@H]1CCCC[C@H]1OCc1nnc(-c2cccc(C#N)c2)o1 1322997883 XZGYNERFTWBTGN-SWLSCSKDSA-N 297.358 3.704 30 20 CHED Cc1ccc(NN=C2CCCN(C)CC2)cc1Cl 1323040045 UHUHIQOLVGVUPN-UHFFFAOYSA-N 265.788 3.532 30 20 CHED Cc1cc(-n2ccnc2)ccc1CSCC1(C#N)CC1 1255681272 GCIOGWYHJZWFEF-UHFFFAOYSA-N 283.400 3.718 30 20 CHED CC(C)(C)ON=C1CCC(C)(N2CCCC2)CC1 1333184164 SFFSGAOIFVNZGI-UHFFFAOYSA-N 252.402 3.586 30 20 CHED N#CC[C@@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccco1 1345982453 RISFMRMZEHRHRV-RMRHIDDWSA-N 273.332 3.604 30 20 CHED CC(C)CC1(NCc2ccc(Cl)cc2C#N)CC1 1196322206 LOKWHHZNIAABGW-UHFFFAOYSA-N 262.784 3.880 30 20 CHED CC[C@H]1CC[C@H](C(=O)OCc2cc(C#N)ccc2F)CC1 1265727534 NIFRFZZOIQQOKX-MQMHXKEQSA-N 289.350 3.957 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cn1 1263642468 ZLXYFAUJYHQPLI-GFCCVEGCSA-N 279.771 3.698 30 20 CHED C=C(C)CCC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 1262622830 IPMJUFCXNJOOBK-JOCQHMNTSA-N 261.340 3.544 30 20 CHED N#CC[C@H](OC(=O)/C=C/C1CCCC1)c1ccco1 1347948979 OEMSXYQSFLZKGM-NPQIQWPPSA-N 259.305 3.524 30 20 CHED N#Cc1sccc1C(=O)Nc1ccc(F)cc1Cl 1355181506 OYKSGUHJLFYSPL-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1csc(C#N)c1 1353566158 NFVYIXWTXJKDHV-NEPJUHHUSA-N 276.405 3.566 30 20 CHED N#Cc1ccccc1N(C(=O)C[C@@H]1CC[C@H]2C[C@H]12)C1CCC1 1353519089 WBOKPFOVNONCBD-ZQIUZPCESA-N 294.398 3.880 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1nccc2occc12 1516859314 IYVBBZQFIGYIBW-LLVKDONJSA-N 259.305 3.729 30 20 CHED C=C[C@H](OC(=O)c1nccc2occc12)C(C)(C)C 1525423757 QCZHINWYXAYELQ-LBPRGKRZSA-N 259.305 3.585 30 20 CHED CCC[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1C 1526817239 AGCBDRUEHFIFNW-CQSZACIVSA-N 271.364 3.663 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)Cc1cccc(C#N)c1 111744041 DABVYCLZDJHWPQ-IRXDYDNUSA-N 256.393 3.959 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cs1 1523987560 VJAVYQCQJRQIAX-UHFFFAOYSA-N 296.273 3.891 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1ccccc1OC 1527651356 CQLCFVKZFVZZFR-MRXNPFEDSA-N 287.403 3.961 30 20 CHED Cc1cc(CN2CCCc3c(F)cccc32)ccc1C#N 1462071976 ANOLKLRYINZJBU-UHFFFAOYSA-N 280.346 3.959 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1 1537977175 PCAGOPVTZXPRFT-GOSISDBHSA-N 292.382 3.555 30 20 CHED CC(C)(CNC(=O)Nc1cccc(C#N)c1)C1CCCC1 1465139888 PCJUYKZEVNTRRK-UHFFFAOYSA-N 285.391 3.896 30 20 CHED CCC[C@@H](CC)C(=O)O[C@@H](C)c1cccc(C#N)c1 1544187848 VZAXIPBGHVOUOP-GXTWGEPZSA-N 259.349 3.989 30 20 CHED Cc1sccc1NC(=O)N(C)Cc1ccc(C#N)cc1 1476975212 NYBJBFURSYJTTK-UHFFFAOYSA-N 285.372 3.592 30 20 CHED COc1cc(C#N)ccc1OCc1cccc(Cl)c1F 228019047 QTWUZQYYHJFCET-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC(C)(CCC#N)CNc1cccc(-n2ccnc2)c1 120492211 GJBYFTZDCCGTRB-UHFFFAOYSA-N 268.364 3.614 30 20 CHED Cc1cccc2nc(NCCc3ccc(C#N)cc3)oc12 1559235518 VTBGAXQDQPYAJX-UHFFFAOYSA-N 277.327 3.663 30 20 CHED Cc1nc(C#N)cc(NCCc2cc3ccccc3s2)n1 1559199303 YJJLXJHZARLAMJ-UHFFFAOYSA-N 294.383 3.526 30 20 CHED CCC[C@@](C)(O)CNc1ccc(C(F)(F)F)cc1C#N 229725991 AYWTUOAPMKTQFC-CYBMUJFWSA-N 286.297 3.540 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)NCc1cccc(C#N)c1 1563421711 IJEUVPMMFCUORL-IRXDYDNUSA-N 299.418 3.574 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(CNc2ccccc2)cc1 1638409613 OLZJHOQZGPGBGL-OAHLLOKOSA-N 293.370 3.787 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](c1cnn[nH]1)C(C)C 1575093545 MOHYTOZMVAOQNN-HIFRSBDPSA-N 264.417 3.616 30 20 CHED CCN(Cc1ccc(C#N)cc1Br)C(C)(C)C 1653716380 KAPZAIBKAJCEKP-UHFFFAOYSA-N 295.224 3.941 30 20 CHED CC1(C)C(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1(C)C 1585269477 KZUGYOCBRLMHKV-HNNXBMFYSA-N 296.414 3.734 30 20 CHED COc1ccc(CN(CC2(CC#N)CC2)[C@@H](C)C2CC2)cc1 1657038069 XLHMMNQHYVHPLE-HNNXBMFYSA-N 298.430 3.990 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N(C)[C@H]1CCC[C@H](C)C1 1749271452 WFZUJTWTGVMAMP-AAEUAGOBSA-N 296.846 3.608 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)O)c(F)c1 1588770526 ANXBHXOVHASSGZ-CJNGLKHVSA-N 291.366 3.748 30 20 CHED C=CC[C@H](C(=O)Oc1cccc(C(=O)O)c1)c1ccccc1 1588731575 KPRKYQBHQKIALM-INIZCTEOSA-N 296.322 3.650 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@H](CC(C)C)OC 1653156676 PGQMABMMARHOSO-GOSISDBHSA-N 288.435 3.831 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1nsc2ccccc12 1585095545 PLBBIQYJQKNMBQ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc2occc2c1 1587385019 FNYKLEFEPGBEPT-UHFFFAOYSA-N 276.295 3.751 30 20 CHED N#Cc1cccc(NCc2cnc(CC(F)(F)F)s2)c1 1662048190 ONSSKDDYAVFUGI-UHFFFAOYSA-N 297.305 3.732 30 20 CHED Cc1cccc(N(C)C(=O)Nc2cccc(OCC#N)c2)c1 1673381736 UAPFMSVMPMUZCV-UHFFFAOYSA-N 295.342 3.566 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC(C)(C)C2)c1 1672775509 NCOYSUUMMFGURA-ZDUSSCGKSA-N 271.364 3.567 30 20 CHED CC(=NNc1ccccc1C(=O)O)[C@H]1CCCC[C@H]1C 1776030671 DRXTUGBMDGUMAQ-YPMHNXCESA-N 274.364 3.999 30 20 CHED O=C(O)c1ccc(NN=Cc2cccc3c2CCCC3)cc1 1776014489 SUKCXIUWSHJSII-UHFFFAOYSA-N 294.354 3.710 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(Cc2ccc3ccccc3c2)C1 1776162484 GQNXTQJYEQCPQY-LJQANCHMSA-N 295.382 3.693 30 20 CHED CC(C)CC(=NNc1cccc(C(=O)O)c1)c1ccncc1 1776037402 GJAKFIRPDLPRDK-UHFFFAOYSA-N 297.358 3.642 30 20 CHED O=C(O)c1ccc(NN=C2CCCC23CCCCC3)cn1 1776070767 GOCZPVTYLZBRLR-UHFFFAOYSA-N 287.363 3.682 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@@H](C)CC(C)(C)C)C1 1776154541 ISUCKBXFJBYFLX-WMLDXEAASA-N 281.440 3.802 30 20 CHED C=CCNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 16969698 WIMPWBHMTJDUJL-KAMYIIQDSA-N 287.359 3.730 30 20 CHED C=CCc1cc(CN(CCC)C2CC2)c(O)c(OC)c1 164293465 YTDFUGDCRIVGSK-UHFFFAOYSA-N 275.392 3.504 30 20 CHED Cc1ccnc(NCc2cccc(C(F)(F)F)c2)c1C#N 168968459 QALNXGPZDWDXRR-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccccc2F)CC1 152929930 STQVLNWLXQDYSU-AWEZNQCLSA-N 276.399 3.517 30 20 CHED O=C(/C=C/c1cc2cc(F)ccc2o1)c1cc(O)cc(O)c1 152702736 WNLOPLJPHFWFBU-NSCUHMNNSA-N 298.269 3.879 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1OCC1CC1 152637525 ZECUHOFUOVTIBX-UHFFFAOYSA-N 286.375 3.681 30 20 CHED CCOc1cc(Cl)ccc1NC(=O)N[C@H](CC)CC#N 156193904 IICWFBSHHUIPNX-LLVKDONJSA-N 295.770 3.552 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(CC)C[C@@H](C)C#N)cc1 156395936 WUJOCOPVPRNICE-LSDHHAIUSA-N 286.419 3.751 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@@H](CC)C1 155959212 YAFPOQOHZUJRJF-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C[C@H]1CC(C)(C)C[C@H]1Nc1ccc(OCC#N)cc1 235590109 IRFFLUVTWZLWOI-SWLSCSKDSA-N 258.365 3.826 30 20 CHED Cc1cccc(Oc2nccc(C#N)c2Cl)c1[N+](=O)[O-] 235905941 YTBNWNVKQRHBKM-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=CCN(CCC)Cc1ccccc1Br 521818976 PEWXYRQTEUVNPQ-UHFFFAOYSA-N 268.198 3.847 30 20 CHED C=CCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 265808532 PLTSMXSCQNWXHZ-MRXNPFEDSA-N 279.811 3.662 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1F 49120025 WOGKHBDXVMWDIN-CJNGLKHVSA-N 260.356 3.756 30 20 CHED COc1cc(F)ccc1N[C@@H](C)c1cccc(C#N)c1 49564322 IRGPVRFWVARNIR-NSHDSACASA-N 270.307 3.879 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](CC(C)(C)C)C1 307770427 FHZBAPXBNXURBV-CYBMUJFWSA-N 264.413 3.601 30 20 CHED Cc1c(Oc2ncc(C#N)cc2Cl)cccc1[N+](=O)[O-] 358877865 SBBNVJQEWPGLBA-UHFFFAOYSA-N 289.678 3.616 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)c(F)c2)c1 361698367 GUDQQYCWNZLMCB-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CCC[C@@H](CNc1nc(C)c(C#N)cc1Cl)OCC 705391161 RRJNTQHAQJIPHA-LBPRGKRZSA-N 281.787 3.532 30 20 CHED C[C@H](Cc1ccsc1)N[C@H](C)CC(C)(C)C#N 695860262 UJLIBAZSNATJSZ-VXGBXAGGSA-N 250.411 3.597 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 815636924 GGFMMVRQSCQFCS-KGLIPLIRSA-N 296.455 3.624 30 20 CHED C[C@H]1CCCC[C@@]1(C)NCc1ccc(CC#N)cc1 398962479 OAMLDMJIXXGSAK-WMLDXEAASA-N 256.393 3.811 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)C(=O)C(C)C)c1 102909550 LRKBSTCYTUCKQE-UHFFFAOYSA-N 277.367 3.857 30 20 CHED C=C(Cl)COc1ccc(Br)cc1C 57523539 XXBBWPFFCHRBOY-UHFFFAOYSA-N 261.546 3.889 30 20 CHED CCOc1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1 55161280 YVRJKCUDUNVAOY-UHFFFAOYSA-N 294.354 3.528 30 20 CHED N#Cc1cccc(-c2nc(CCCc3ccccc3)no2)c1 109574528 QIZCBYLUQFIYMC-UHFFFAOYSA-N 289.338 3.784 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-c2ccccc2F)o1 116863601 UKPHFGNRISBALX-NSHDSACASA-N 273.307 3.780 30 20 CHED Cc1nc(CNc2ccc(Cl)cc2C#N)cs1 52857678 IXGXGXCKEZWQQU-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=CCCCS[C@@H](C)C(=O)NCc1ccc(C)cc1 117944450 ZIGPPUZGLJCTDY-AWEZNQCLSA-N 277.433 3.699 30 20 CHED C#CCCCCC(=O)Nc1cccc(CN(CC)CC)c1 119576957 SSUDSZVGJIGFSM-UHFFFAOYSA-N 286.419 3.661 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnc(C)nc1C 179795189 FEAUGEVPDZVMQN-UHFFFAOYSA-N 291.439 3.916 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)c1ccccc1Cl 69343797 NRWAMUMZCQJNQR-STQMWFEESA-N 295.810 3.841 30 20 CHED CC[C@H](C#N)Oc1cccc(CNc2ccc(C#N)cc2)c1 113925551 JXCVDCCDMLAYAE-QGZVFWFLSA-N 291.354 3.851 30 20 CHED CCCNc1nnc(SCc2cccc(C#N)c2)s1 26617374 LDVYPGAGMKESOA-UHFFFAOYSA-N 290.417 3.524 30 20 CHED CC(=O)c1cccc(N[C@@H](C#N)C2CCCCC2)c1 115605954 LYVHQSKQFSQMHQ-INIZCTEOSA-N 256.349 3.774 30 20 CHED C=CCc1ccc(OCCCSC)c(OC)c1 174092667 BASIGYMCHFAXNZ-UHFFFAOYSA-N 252.379 3.556 30 20 CHED C=C(C)CN(CCc1cccnc1)Cc1ccccc1 470909046 MZYCQIBMRNOPNJ-UHFFFAOYSA-N 266.388 3.702 30 20 CHED C=CCN(CC=C)C(=O)c1sc(C)nc1-c1ccccc1 171733657 IRMSNAGJOYQBPN-UHFFFAOYSA-N 298.411 3.933 30 20 CHED N#Cc1nc(Sc2ccccc2F)ccc1Cl 301544958 PFHIXJBDXPHOHK-UHFFFAOYSA-N 264.712 3.897 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)c1cccc(C#N)n1 301537592 REDBLOGRJNPUQE-LBPRGKRZSA-N 277.327 3.897 30 20 CHED N#Cc1ccc(F)c(CN(C2CCCC2)C2CC2)c1 64809188 RTQIWEBOKYINPY-UHFFFAOYSA-N 258.340 3.604 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2cccc(F)c2)c1 302861704 QGRCWGJRPSGZKQ-UONOGXRCSA-N 297.289 3.574 30 20 CHED CCN(CC#N)C(=O)c1ccccc1SCC=C(C)C 125879993 ARKFHTWYUBFXHX-UHFFFAOYSA-N 288.416 3.731 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(F)c(F)c1F 182763131 IDTLTUIUFVKMMH-VIFPVBQESA-N 286.297 3.970 30 20 CHED C/C=C(\CC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 188517006 KSUIAXSORGYNQK-LFYBBSHMSA-N 256.349 3.783 30 20 CHED Cc1cccc([C@@H](C)CNc2c(C#N)cccc2C#N)c1 302875371 FHVBKBNDSSWOCU-AWEZNQCLSA-N 275.355 3.954 30 20 CHED N#Cc1csc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 408414176 JOIPEBCCHGSHOC-MELADBBJSA-N 288.416 3.708 30 20 CHED C[C@@H](C#N)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 186544138 UQOYHOWLIJVEHB-AAEUAGOBSA-N 294.782 3.612 30 20 CHED N#CCN(C(=O)/C=C/c1cc2ccccc2o1)C1CCCC1 125356948 OYDDLTYKOIHKEG-MDZDMXLPSA-N 294.354 3.741 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCC[C@H]1C 409664115 LCYIEVHNKFIZIS-OCCSQVGLSA-N 275.417 3.883 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1c(F)cccc1F 404591721 SHUGMGFKBTTYAC-JTQLQIEISA-N 290.288 3.826 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)c1nccc(C#N)c1Cl 300265043 HEVMCAQMWUDDQT-PWSUYJOCSA-N 263.772 3.622 30 20 CHED N#CC1(COC(=O)c2ccc(SC(F)F)cc2)CCC1 183883418 XWWQMCYXWZLHEV-UHFFFAOYSA-N 297.326 3.852 30 20 CHED CCCCCCCCC(=O)N1CCC[C@](CC)(CO)C1 187114871 KKSOLUPPHFWLGX-KRWDZBQOSA-N 283.456 3.748 30 20 CHED O=C(/C=C/c1cccc(Cl)c1)c1cncc(F)c1 78023110 UNSQJXDCELOBGC-SNAWJCMRSA-N 261.683 3.770 30 20 CHED Cc1csc(CN(C)[C@H](C)c2cccc(C#N)c2)n1 187688868 UGAWFMBWXQXWIP-GFCCVEGCSA-N 271.389 3.516 30 20 CHED C#C[C@@H](C)NC(=O)c1ccc(C)cc1Sc1ccccc1 185332435 QROJLFPNMULJLO-CQSZACIVSA-N 295.407 3.898 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C(CC)CC 121360952 SINLFEQHVHVJAV-UHFFFAOYSA-N 259.393 3.680 30 20 CHED C#CCOc1ccccc1NCc1csc(C2CC2)n1 184633246 FVISXBBUHWUUHL-UHFFFAOYSA-N 284.384 3.645 30 20 CHED C=CCCCC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 189600440 OYRIJUMSIYDPRP-SJORKVTESA-N 271.404 3.870 30 20 CHED C[C@@](O)(CNc1ccc(Cl)cc1C#N)c1ccsc1 77236409 CFSRJWFCJVAXJF-CQSZACIVSA-N 292.791 3.593 30 20 CHED C[C@H]1CCC[C@H](CN(CCC#N)Cc2ccco2)C1 356987369 PYQIOISVSGBWEU-GJZGRUSLSA-N 260.381 3.822 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(OC(F)F)cc1 189884613 SLHJYAZYCXEYRS-HNNXBMFYSA-N 283.318 3.507 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(C#N)ccc1C 183067134 PINRTKPUWJHEEX-ZDUSSCGKSA-N 271.364 3.733 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1NCc1ccco1 125588425 WPABZRRVPUXENH-UHFFFAOYSA-N 298.386 3.930 30 20 CHED CCCC(=CC(=O)[C@H](C#N)C(=O)Nc1ccccc1)CCC 181251951 MVJGCWXBDXZXCT-INIZCTEOSA-N 298.386 3.861 30 20 CHED C=CCCCN(C)C(=O)c1cnc(-c2ccsc2)s1 76489828 RMLUIMMXIKEQGD-UHFFFAOYSA-N 292.429 3.910 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc(F)cc1 127357636 QMTCCHARSYQMSQ-TWGQIWQCSA-N 272.323 3.742 30 20 CHED C=CCCCCNC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 412252175 HCFPTZINSLICOV-OAHLLOKOSA-N 287.403 3.804 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@H](CC)C1)c1ccccc1 188507626 JCUFYNGFOLQHPS-ZBFHGGJFSA-N 257.377 3.605 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1 217020949 ICJMKXJQRMDERC-XBXARRHUSA-N 257.720 3.940 30 20 CHED N#Cc1cccc(CN[C@H](c2ccccc2)C(F)(F)F)c1 70198491 MJLAYHBRHXLEAQ-OAHLLOKOSA-N 290.288 3.951 30 20 CHED CN(Cc1cccc2ccccc12)C[C@@H](C#N)CCC#N 76512887 IEPXGVNKWVKGIA-OAHLLOKOSA-N 277.371 3.715 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl 410684035 MWRWDLKBDBDVCA-BXUZGUMPSA-N 295.810 3.744 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)NCc1cccc(C#N)c1 123092608 SDMCBIUBRKFYME-QGZVFWFLSA-N 299.418 3.668 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)c2cccs2)CC1 187281559 ZCGFUDLDDZGQLF-UHFFFAOYSA-N 290.432 3.977 30 20 CHED C=CCC1(C(=O)Nc2c(C)noc2CC)CCCC1 410618138 ACEZIHCXAJYDSG-UHFFFAOYSA-N 262.353 3.620 30 20 CHED C[C@@H](NCc1ccc(F)cc1C#N)c1ccc(F)cc1F 181588541 VDVNNCFNAPNZOD-SNVBAGLBSA-N 290.288 3.826 30 20 CHED CCc1nc([C@@H](C)NCC#Cc2ccc(F)cc2)cs1 184680095 CJEMWMKCOBDRMU-GFCCVEGCSA-N 288.391 3.547 30 20 CHED C=CCC1(C(=O)N[C@H](C)COc2cccc(C)c2)CCC1 189936559 GHRVSIAWQPNPHS-OAHLLOKOSA-N 287.403 3.625 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1C#N 186495142 KKZRDMVVFMZKPA-UHFFFAOYSA-N 295.773 3.715 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1cc(C)ccc1OC 45120965 UOINXXHBDVOZBP-CQSZACIVSA-N 290.407 3.672 30 20 CHED CCN(Cc1ncc(-c2ccccc2C)o1)C[C@H](C)C#N 75678229 VZVIHOLGVVKGGV-CYBMUJFWSA-N 283.375 3.632 30 20 CHED N#Cc1ccsc1NC(=O)CCc1cccc(Cl)c1 136114964 LJCAJAHWCUQYRX-UHFFFAOYSA-N 290.775 3.844 30 20 CHED CCOC1CC(S[C@@H](C)c2cccc(C#N)c2)C1 419461357 HLOCOYNGZVBOMA-QGLTVNCISA-N 261.390 3.920 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 44464611 QADWJQIEIWUOGP-NEPJUHHUSA-N 277.330 3.780 30 20 CHED N#Cc1ccc(N[C@H]2CCc3ccccc3OC2)c(F)c1 509499738 IFDVOSKXORAMFE-AWEZNQCLSA-N 282.318 3.503 30 20 CHED C[C@H]1CC(C(O)=Nc2cccc3ocnc23)C[C@H](C)O1 328899623 XNQOOOKLTNEHCN-UWVGGRQHSA-N 274.320 3.619 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)cc1 509016142 PKRAJYNPERWDBD-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C#Cc1cccc(NCc2c[nH]nc2-c2ccccc2)c1 41637997 CXGZGSZGOBHHFZ-UHFFFAOYSA-N 273.339 3.670 30 20 CHED CCOc1cc(C#N)ccc1OCc1cccc(F)c1F 42313468 TZVHURMOFCSYQJ-UHFFFAOYSA-N 289.281 3.814 30 20 CHED CC(C)N(C)c1ccc(/C=C/C(=O)c2ccccc2F)cn1 191208473 ILBASMYECQFZQS-CSKARUKUSA-N 298.361 3.961 30 20 CHED C=CCN(CC=C)C(=O)NCCCC1CCCCC1 195647437 PNBNAUUHUFWUCN-UHFFFAOYSA-N 264.413 3.731 30 20 CHED Cc1ccc(C)c(C(=O)[C@@H](C#N)c2nc(C)cs2)c1 41520057 QAGJXKNNIFWIIM-CYBMUJFWSA-N 270.357 3.558 30 20 CHED Cc1cnc(/C(O)=N/[C@H]2CCCCC23CCCC3)cn1 329626625 OYNQYODKLHLKJP-AWEZNQCLSA-N 273.380 3.593 30 20 CHED C=CCC1(c2nc([C@H](C)c3nccs3)no2)CCC1 424356571 UOENUSZIGBCNNZ-JTQLQIEISA-N 275.377 3.676 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cccc2c1CCCN2 423418549 UUQPYIASKFSGPS-UONOGXRCSA-N 258.409 3.735 30 20 CHED Cc1cccc(CNCCSCc2ccccc2C#N)c1 518271222 NVAFPAGYYMUSSW-UHFFFAOYSA-N 296.439 3.890 30 20 CHED Cc1c(C#N)cccc1C(=O)NCCC1CCCCC1 510495814 JYVXEMALUOVGOM-UHFFFAOYSA-N 270.376 3.567 30 20 CHED C[C@H](CCc1ccccc1)NCc1cc(C#N)ccc1F 44299811 PMYLKJFFVYNCIN-CQSZACIVSA-N 282.362 3.808 30 20 CHED O=C(/C=C/c1ccc(-n2cccn2)cc1)c1ccsc1 194614692 KLJFWSNQQBWYOV-QPJJXVBHSA-N 280.352 3.830 30 20 CHED N#Cc1ccnc(SC[C@@H]2CCC3(CCCCC3)O2)c1 191823367 GSGQTPIHFAYXAN-AWEZNQCLSA-N 288.416 3.927 30 20 CHED CC(C)c1scnc1C(=O)Nc1ccc(F)c(C#N)c1 336009878 UIHAMLJSQOOPIL-UHFFFAOYSA-N 289.335 3.530 30 20 CHED C[C@H](Cc1ccc(Br)cc1)NCC(C)(C)C#N 235483106 UQAYSIDKKFSRTG-LLVKDONJSA-N 295.224 3.519 30 20 CHED CC[C@H](C)CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 421086615 RPGHMXFZXFEQKR-LBPRGKRZSA-N 273.380 3.655 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C#N)c(Cl)c2)C(C)(C)O1 94422952 IQLPPRVZMCUZPO-CYBMUJFWSA-N 278.783 3.970 30 20 CHED CCC(C)(C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425635248 ILIJFZMLVPOKQA-GFCCVEGCSA-N 258.365 3.514 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/C[C@@H]2CC=CCC2)s1 330907191 FCYMARROVIOKKM-VXGBXAGGSA-N 294.420 3.902 30 20 CHED COc1nc(C)cc(C)c1C/N=C(/O)C1=CCCCC1 330878568 XGFIZGOKBKESDA-UHFFFAOYSA-N 274.364 3.664 30 20 CHED CCCC1CCC(NC(=O)c2ccc(CC#N)cc2)CC1 330476550 KPHNLWSMUINVIP-UHFFFAOYSA-N 284.403 3.841 30 20 CHED CC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 438162352 CUZYESOXEGUDES-IAGOWNOFSA-N 299.418 3.524 30 20 CHED CC(C)(C)[C@H]1CCc2sc(C(=O)NCCC#N)cc2C1 330526904 MFUWLKIJCRCALN-LBPRGKRZSA-N 290.432 3.543 30 20 CHED CC[C@H]1CCCCN1C(=O)[C@H](C#N)CCc1ccccc1 433103512 LKSAFIPPSDKQRW-IRXDYDNUSA-N 284.403 3.550 30 20 CHED CC(C)c1nc2ccc(NC(=O)[C@@H](C)C#N)cc2s1 334674923 GKWTUPOVHUTUAB-VIFPVBQESA-N 273.361 3.518 30 20 CHED CCC1(C/N=C(/O)c2scnc2C(C)C)CCOCC1 331331103 RNHPFYJJTMSXJY-UHFFFAOYSA-N 296.436 3.778 30 20 CHED Cc1cc(F)cc(NCC#Cc2ccc(F)cc2)c1 433490235 VTWULBYQKOJFHW-UHFFFAOYSA-N 257.283 3.737 30 20 CHED C=CCN(C(=O)Nc1ccc2c(c1)OCC2(C)C)C1CC1 529155956 HJJKPECWAGAHIC-UHFFFAOYSA-N 286.375 3.539 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccc(OCC(F)F)cc1 436388920 MPTYVUKYIRHGIQ-UHFFFAOYSA-N 299.280 3.817 30 20 CHED N#Cc1cccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)c1 437645144 IPZMPJQELKIMIY-UHFFFAOYSA-N 294.329 3.659 30 20 CHED N#CCc1ccc(CN2CCc3c(F)cc(F)cc32)cc1 522030707 OYQUWHIRBJBGRF-UHFFFAOYSA-N 284.309 3.594 30 20 CHED C=CCCC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 431171139 XMUYNPGKEYBEKB-DLBZAZTESA-N 265.356 3.778 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 246050821 UKBCLBUAACNUNW-CVEARBPZSA-N 279.811 3.804 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)ccc1F 340743788 NYIWFKWYKQVIOF-BBRMVZONSA-N 294.329 3.830 30 20 CHED Cc1cc(C(=O)N(CCC#N)CCC(C)C)c(C)s1 609142860 DUGYTKBJUDFVLL-UHFFFAOYSA-N 278.421 3.767 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(C#N)c1F 340871450 NOOHZIRHPVOYLH-UHFFFAOYSA-N 287.382 3.849 30 20 CHED CCCn1ccc2cc(NC(=O)c3ccc(C#N)[nH]3)ccc21 343376896 YQHBFIOPHZDNGJ-UHFFFAOYSA-N 292.342 3.503 30 20 CHED COc1ccc(OC(F)F)c(NC[C@H](C)CCC#N)c1 602491738 MAIMCCUCHQSZBG-SNVBAGLBSA-N 284.306 3.648 30 20 CHED CC(C)(C)OC1CC(N[C@@H]2CCCc3cc(C#N)ccc32)C1 346870389 URKQUBDSPLEMLG-LEOMRAHMSA-N 298.430 3.871 30 20 CHED C[C@H](Nc1c(Cl)cccc1C#N)c1cncs1 340846413 DXHSUUKNFUQHBK-QMMMGPOBSA-N 263.753 3.841 30 20 CHED CCCCOc1ccc(/C=C\C(=O)c2cnccn2)cc1 255144004 GQSLANWRVJYSIC-TWGQIWQCSA-N 282.343 3.552 30 20 CHED CC[C@H](NCC1(CC#N)CC1)c1cc(C)ccc1OC 430744063 TYYZFUYBRRLKKY-HNNXBMFYSA-N 272.392 3.738 30 20 CHED C[C@@H](NC[C@@H]1CCCCS1)c1ccc(C#N)c(F)c1 346799104 QFAGBBGDOJQXMT-RISCZKNCSA-N 278.396 3.634 30 20 CHED Cc1ccc(C#N)c(NCC2(Cc3ccccc3)CC2)n1 346853882 SCOLVHJCOZDQHF-UHFFFAOYSA-N 277.371 3.697 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccccc1CC#N 601628014 LSXUWPPUTIVBRL-HZPDHXFCSA-N 284.403 3.697 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1coc2ccccc12 255695352 MJWPDFHXOUTUAP-FPLPWBNLSA-N 267.284 3.934 30 20 CHED CC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)(C)C 609240196 SQTCMWWYAKAHFQ-WFASDCNBSA-N 287.407 3.743 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 608815673 BTJRIPNRVNFKTE-ZDUSSCGKSA-N 291.354 3.743 30 20 CHED C[C@H](NC(=O)NCCCC(C)(C)C)c1ccc(C#N)cc1 523524399 OURWRMYGOKZDGI-ZDUSSCGKSA-N 287.407 3.745 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@@H](C)C1 444143194 LVFVDXKMVITZGB-GDBMZVCRSA-N 272.392 3.573 30 20 CHED C(=NN=C(c1ccccc1)c1ccccc1)c1ccccn1 254634286 SEGYUGCPFSDSSP-UHFFFAOYSA-N 285.350 3.953 30 20 CHED CCN(CC)[C@H](CNC[C@@H](C)CCC#N)c1ccccc1 602501040 CPFHQCLDMFLOES-FUHWJXTLSA-N 287.451 3.599 30 20 CHED C=CCNC(=O)CSCc1cc(Cl)cc(Cl)c1 357389180 JTEQYQPQPBZQPN-UHFFFAOYSA-N 290.215 3.529 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 602480581 DBLUELHWPVVSJW-KBAYOESNSA-N 281.403 3.698 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@@H](CCC#N)c2ccccc2)C1 359398605 LOZIWXXGFYZIQX-HOTGVXAUSA-N 284.403 3.974 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@H]1CCCCO1 445787954 VWRJSQZSUTUAGQ-MRXNPFEDSA-N 279.424 3.541 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccncc2C)n1 600510144 YXQIOTCJNOHLOD-UHFFFAOYSA-N 269.373 3.566 30 20 CHED C[C@H](CCC#N)CNC[C@H]1CCCO[C@@H]1c1ccccc1 602520109 DLUGBNICJDMSQG-KBAYOESNSA-N 286.419 3.684 30 20 CHED COCc1cc(C#N)ccc1N[C@@H]1CCc2c(O)cccc21 603300079 BEUQEBIFBXDRPF-QGZVFWFLSA-N 294.354 3.510 30 20 CHED CC[C@H](CC(=O)NCc1cccc(C#N)c1)c1ccccc1 264062216 QADGFHCMDCLTNA-QGZVFWFLSA-N 292.382 3.758 30 20 CHED CC[C@H](NC[C@@]1(C)CCCC[C@H]1O)c1ccc(C#N)cc1 447588717 WAAKCPIQATUDHI-RCCFBDPRSA-N 286.419 3.540 30 20 CHED C[C@H](CCC#N)CN1CCc2c(Cl)cc(F)cc2C1 602675071 QJUIQPSFHXQNFZ-LLVKDONJSA-N 280.774 3.777 30 20 CHED C[C@H]1CSc2ccccc2N(Cc2cc(C#N)n(C)c2)C1 356358433 DZFPLFVRSBONJM-CYBMUJFWSA-N 297.427 3.645 30 20 CHED C=CCCCCC[C@H](C)NC1CCC(C(=O)O)CC1 263402627 IOQBMYHAIRECRI-NFOMZHRRSA-N 267.413 3.744 30 20 CHED C[C@H]1CCc2c(sc(NC(=O)[C@@H](C)C3CC3)c2C#N)C1 530872263 SVVLNRJELFICTL-UWVGGRQHSA-N 288.416 3.729 30 20 CHED CC[C@H]1CN(CC2(C#N)CC2)CC[C@@H]1c1ccccc1 539451290 LCMPSEXLYOTWPP-RDJZCZTQSA-N 268.404 3.806 30 20 CHED C=C[C@H](C)NC(=O)c1cccn1[C@@H](C)Cc1ccccc1 358494442 FTEJNEPVCBTNBB-GJZGRUSLSA-N 282.387 3.596 30 20 CHED C=C(CN[C@H](C)c1cnn(C(C)C)c1)c1ccccc1 268876201 YVQWWRQUIWHLRV-OAHLLOKOSA-N 269.392 3.828 30 20 CHED Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 269613867 NLSCYIRKKYNFMR-UHFFFAOYSA-N 262.356 3.646 30 20 CHED N#Cc1cc(F)c(NCc2noc3ccccc23)c(F)c1 357658883 ILZNXOHJWVJYHA-UHFFFAOYSA-N 285.253 3.590 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 617782082 YFBYSBLNHHKFQH-NSHDSACASA-N 298.308 3.529 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2ccccc2n1C 538335294 GFXZPAVOLVQWQS-ZDUSSCGKSA-N 270.376 3.653 30 20 CHED CC[C@@H](C)CCCCC(=O)NC1(C#N)CCCCC1 612004888 BPZNOBQBIONOEF-CQSZACIVSA-N 264.413 3.936 30 20 CHED CN(C(=O)CCC(C)(F)F)c1cc(Cl)ccc1C#N 610794023 UDLBSPGXVNUJAY-UHFFFAOYSA-N 286.709 3.610 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(OCC)cc2)C1 617789966 YXVMCFLUHOFJTO-CQSZACIVSA-N 273.376 3.514 30 20 CHED C[C@H](COc1cccc(F)c1)N[C@H](C)c1cccc(C#N)c1 538397104 PZLYMDLEQZXLKB-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc(C#N)c1 452038641 DJOPRNFLKKKVPP-KBRIMQKVSA-N 272.392 3.557 30 20 CHED C=CCC[C@@H](NCCCOc1ccccc1)C1CC1 533362192 OUGKKXMYBHMCEM-QGZVFWFLSA-N 259.393 3.790 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2cccc(C#N)c2F)cc1 539197627 OABILCFBAVFNNE-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC1(C#N)CC1 451194544 ZCWZKLAVZGPJNF-FMKPAKJESA-N 254.377 3.557 30 20 CHED C=CCC[C@@H](NCc1cccc(NC(=O)CC)c1)C1CC1 533039869 AHHHYTXHVZHYFO-QGZVFWFLSA-N 286.419 3.870 30 20 CHED C[C@@H](C#N)CN(C)Cc1c(Cl)cccc1OC(F)F 611260874 SOVDKLRBSHFAGL-VIFPVBQESA-N 288.725 3.533 30 20 CHED CSCCNc1c(C#N)cnc2c(Cl)cc(C)cc12 619792130 IXIBARUBBAMREB-UHFFFAOYSA-N 291.807 3.843 30 20 CHED CC1(C#N)CCN(C(=O)Nc2ccsc2Cl)CC1 275562476 BINUATXSGNISJK-UHFFFAOYSA-N 283.784 3.559 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCCOCC1CC1 360840378 NFPBIAUIYPOFFZ-IBGZPJMESA-N 298.430 3.732 30 20 CHED CCC(CC)[C@H](NC(=O)NC[C@@H](C)C#N)c1cccs1 543805329 FKMXWSVSLFSCTD-FZMZJTMJSA-N 293.436 3.684 30 20 CHED COc1ccc(CN(CCC#N)Cc2ccco2)cc1C 270981563 DJOXIUOTLCKSPP-UHFFFAOYSA-N 284.359 3.513 30 20 CHED C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CC1 271471240 RFFORFPKXQIVCB-UHFFFAOYSA-N 298.308 3.565 30 20 CHED CC(C)(C)OC1CC(NCc2ccc(C#N)c(Cl)c2)C1 619754560 CYKFHYAIVCCBPO-UHFFFAOYSA-N 292.810 3.647 30 20 CHED C=CC(C)(C)CNC(=O)c1nc(-c2ccco2)sc1C 452774927 GKRWGXWEOCHVRA-UHFFFAOYSA-N 290.388 3.654 30 20 CHED Cc1cccc([C@H](C)CNC(=O)Nc2ccc(C#N)cc2)c1 610162165 CGLFINNCPVJYHU-CQSZACIVSA-N 293.370 3.792 30 20 CHED C=CCC1(NC(=O)[C@@H]2C[C@H]2c2cccnc2)CCCCC1 456363775 IVHRHKMSXIQQBA-JKSUJKDBSA-N 284.403 3.580 30 20 CHED C=CC(C)(C)CNC(=O)c1sc(CC(C)C)nc1C 452772612 GJVSYGOTCORFEQ-UHFFFAOYSA-N 280.437 3.592 30 20 CHED CC1(C(=O)NCc2ccc(C#N)c(Cl)c2)CCCCC1 619765806 INXYDOWGFKVNOH-UHFFFAOYSA-N 290.794 3.798 30 20 CHED CC[C@@H](NCCC(C)(C)C#N)c1ccc(F)cc1F 272056820 VSZUEGLTYGJCOY-CQSZACIVSA-N 266.335 3.945 30 20 CHED CC(C)(C)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)c2ccccc21 277925052 PMCBWIASMJNDEW-OAHLLOKOSA-N 293.370 3.676 30 20 CHED C=CCN(CCc1ccco1)Cc1nc(C)c(C)s1 272253642 IUKXLHPMSWUOIS-UHFFFAOYSA-N 276.405 3.584 30 20 CHED CC(C)(C)C[C@H]1CCN(CCCC2(C#N)CCOCC2)C1 452068661 CLBOCMKLCVFVEI-MRXNPFEDSA-N 292.467 3.845 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCCCCC#N)C2)cc1 278386360 DGTGRZWDRWXESH-RDJZCZTQSA-N 299.418 3.576 30 20 CHED Cc1ccc(NC(=O)CC(C)(C)C#N)cc1Br 278572757 RCBFIQQUXJUUSK-UHFFFAOYSA-N 295.180 3.636 30 20 CHED Cc1ccc(CCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)s1 362121905 HVJCRKQGBVUHKD-LRDDRELGSA-N 290.432 3.578 30 20 CHED CCCc1nc(C)c(NC(=O)C2(C#N)CCCCC2)s1 362522901 YSQSACLZUATLSC-UHFFFAOYSA-N 291.420 3.817 30 20 CHED C=CC1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 362535139 QVHAJCAXSNTAOK-UHFFFAOYSA-N 267.731 3.517 30 20 CHED CC(C)[C@@H]1CN(C(=O)CC(C)(C)C#N)c2ccccc21 278303921 CYKDGTVPPATFCG-AWEZNQCLSA-N 270.376 3.713 30 20 CHED CC[C@H](Nc1nc(C)c(C#N)cc1Cl)C1CCOCC1 360081234 DJYIYHYSCPDOAF-AWEZNQCLSA-N 293.798 3.532 30 20 CHED C=CC(C)(C)C(=O)N1CCC(C)(CC(C)C)CC1 451801568 QQURHCDMVFUKAK-UHFFFAOYSA-N 251.414 3.873 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 279857321 CEXHASWOCVNHIQ-GOEBONIOSA-N 287.378 3.628 30 20 CHED Cc1cc(CN(C)C)cc(N[C@H]2CCC[C@@H](C#N)C2)c1 278365445 BQTQXCVUAPKVBD-ZBFHGGJFSA-N 271.408 3.551 30 20 CHED C=CCCC1(C(=O)NCC(=C)c2ccccc2)CC1 360212877 LSWBRXOHQKDOCG-UHFFFAOYSA-N 255.361 3.562 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1SC 454213960 XECHFMQPUMGUQF-UHFFFAOYSA-N 264.394 3.742 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)Cc1cccc(F)c1 458737690 PNSYGDBVMNGWJV-CZUORRHYSA-N 292.398 3.753 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccccc1C(C)(F)F 455769154 JGQWZTJUSMSMGQ-SNVBAGLBSA-N 281.306 3.612 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 279730869 RXJLPSOUSUGQSL-QGZVFWFLSA-N 283.415 3.813 30 20 CHED CC(C)c1cnc(NCc2ccc(C#N)cc2F)s1 273606736 OJOCDTHRNFQRKP-UHFFFAOYSA-N 275.352 3.889 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(C)ccc1C)OCC 270130842 OUQFGMIKDIHSEM-OAHLLOKOSA-N 261.365 3.613 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)CCC[C@H]1C 540489110 OGDXIAVWKKSOHL-QLFBSQMISA-N 266.429 3.951 30 20 CHED C=CCCN(C)CC(=O)N(CC)c1cccc2ccccc12 467285740 KLYBPVIVSHCMHN-UHFFFAOYSA-N 296.414 3.701 30 20 CHED CC#CCCCC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 466439607 ZLKWIWCKSPIQBM-CHWSQXEVSA-N 289.341 3.665 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H]1CCO[C@@H](CC)C1 543802196 UTHIZOSOUKXBIJ-GJZGRUSLSA-N 294.439 3.560 30 20 CHED C=CCCSCC1CCN(C(=O)C(C)(C)C)CC1 546545871 YJDQQIXTYOFGDK-UHFFFAOYSA-N 269.454 3.580 30 20 CHED N#CC1(C(=O)NCCCCc2ccc(Cl)s2)CCC1 284199142 TTWRBNDJVQTTMN-UHFFFAOYSA-N 296.823 3.534 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(C(F)(F)F)[nH]1 620864366 BIMYFAIAJALHRO-UHFFFAOYSA-N 274.286 3.508 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1c1ccsc1 281386560 OTWOJOWNEGUDDN-UONOGXRCSA-N 278.421 3.949 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1CCCC(F)(F)C1 620857390 ZJSPUWQAAFAQRX-LLVKDONJSA-N 259.340 3.673 30 20 CHED CCCC[C@H](C)N(C)Cc1ccc(OCC#N)cc1 289825681 JLSUCIDFDZQATP-AWEZNQCLSA-N 260.381 3.599 30 20 CHED C[C@H](C(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)c1cccc(C#N)c1 462541016 XOERAYUFTSBKHS-ZRGWGRIASA-N 296.414 3.700 30 20 CHED C/C(=C\c1ccccc1)CNCCc1cccc(C#N)c1 466421881 HNJMNSLNUPCGRF-FOWTUZBSSA-N 276.383 3.794 30 20 CHED Cc1ccc(C#N)c(N2CCS[C@H](c3ccccc3)C2)n1 371386115 WUWRYCKZFOQLHZ-INIZCTEOSA-N 295.411 3.556 30 20 CHED Cc1cc(Cl)nc(CN[C@H](C)c2ccc(C#N)cc2)c1 283586441 RPYOZBUEQSQHGU-GFCCVEGCSA-N 285.778 3.766 30 20 CHED CC1(C)CCN(C[C@H](C#N)CCC#N)c2ccccc21 289144445 YYUIJTDFZOUXRO-AWEZNQCLSA-N 267.376 3.618 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 289780188 MPTSXWGHCMVMKN-XYPHTWIQSA-N 284.403 3.509 30 20 CHED Cc1ccc(Br)cc1OC[C@H](C#N)CCC#N 280398136 GDEXACFLPJBDIF-NSHDSACASA-N 293.164 3.580 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccccc1-n1ccnn1 552277387 SRRCSPAOAYSLGK-CABCVRRESA-N 284.407 3.663 30 20 CHED C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCCOC1 388959737 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C=CC[C@@H]1N(C(=O)c2ccc3c(c2)CCO3)CCCC1(C)C 567297876 TVQBLPDXGBUKJA-KRWDZBQOSA-N 299.414 3.828 30 20 CHED C[C@@H]1CCC[C@@H](CNC2(c3cccc(C#N)c3)CC2)C1 563967123 XPNXGFNCYDCBMR-GDBMZVCRSA-N 268.404 3.963 30 20 CHED C#C[C@H](C)NCc1ccc(-c2ccccc2Cl)o1 809684331 YSYHGKZUVDYGGV-NSHDSACASA-N 259.736 3.711 30 20 CHED C[C@H](C=NNc1nc(-c2ccccc2)no1)C(C)(C)C 800811793 JNXWOYPUENQCOK-LLVKDONJSA-N 272.352 3.817 30 20 CHED Oc1nc2ccccc2cc1/C=N/C[C@@H]1CCCSC1 806552078 PDJKWZUDGPESAG-VAKHEIKFSA-N 286.400 3.503 30 20 CHED O=C1/C(=C/c2ccsc2)C[C@H](C(=O)O)c2ccccc21 806560461 MDBCKQYVXIZHJU-OIOXUXFSSA-N 284.336 3.586 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)s1)C(C)C 486691590 RMDMUVUZJIBJRP-UHFFFAOYSA-N 264.394 3.661 30 20 CHED N#Cc1ccc(CNC2(Cc3ccccc3)CCCC2)nc1 568881050 SHPCSHCGUBRECA-UHFFFAOYSA-N 291.398 3.598 30 20 CHED C#CC[C@H](Nc1nc2ccc(F)cc2n1C)c1ccccc1 814258601 TTXYBEZRQBNBBN-HNNXBMFYSA-N 293.345 3.889 30 20 CHED CN(Cc1ccc(C#N)cn1)C1CCC(C(C)(C)C)CC1 567246564 NPTZJELAKGQJLX-UHFFFAOYSA-N 285.435 3.990 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](c1ccccc1)C1CCCCC1 812005305 GIQHTPCCHWIWQD-MAUKXSAKSA-N 298.430 3.971 30 20 CHED COc1ccc([C@@H](C)C(C)=NOCC2CC2)cc1OC 814244418 SGTSJEKBRJOMJB-NSHDSACASA-N 277.364 3.610 30 20 CHED C#Cc1ccccc1CC(=O)N(C)CCC1CCCCC1 810311482 UYIVWMSODVXSMT-UHFFFAOYSA-N 283.415 3.639 30 20 CHED CC1(COC(=O)/C=C/c2ccccc2C#N)C[C@@H]2C[C@H]2C1 816135009 PMUAAKIRNHBMQY-MIVXPEEVSA-N 281.355 3.551 30 20 CHED CCCN(CCN1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 561934412 BJCINLHTVPLLGM-KRWDZBQOSA-N 299.462 3.817 30 20 CHED N#Cc1ncccc1N[C@@H]1CC[C@@H](Cc2ccccc2)C1 567038350 IDRXYELITGSHMP-JKSUJKDBSA-N 277.371 3.777 30 20 CHED N#CCC1CCN(Cc2ccc3ccccc3c2O)CC1 816566769 FUFOBCRZJKPMBY-UHFFFAOYSA-N 280.371 3.671 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1cc(C)ccc1OC 819816455 JDWFEKUYQFDADP-AWEZNQCLSA-N 297.402 3.864 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)[C@@H](C)C1CCCCC1 487774612 XKWYZYUGDYXWLT-NEPJUHHUSA-N 290.432 3.954 30 20 CHED C=CCCCCCCCNC(=O)/C=C/C1CCOCC1 810766972 NFJAMJYHNWDFRB-MDZDMXLPSA-N 279.424 3.612 30 20 CHED CCOc1ccc(NN=C2C[C@@H](OCC)C2(C)C)cc1 814983280 GUSKGVYEBLPGAT-OAHLLOKOSA-N 276.380 3.688 30 20 CHED CN(Cc1ccoc1)Cc1ccccc1C(C)(C)C#N 487406851 GYXWFJIBFQYPFV-UHFFFAOYSA-N 268.360 3.713 30 20 CHED CCOc1cccc(C(C)=NOC/C=C/Cl)c1 811669596 QXAVZJMUVDBOLB-WDDQBVTESA-N 253.729 3.578 30 20 CHED COCc1nc(CSc2ccc(C#N)c(C)c2)cs1 578748141 KXRGXMMVVQAXJX-UHFFFAOYSA-N 290.413 3.762 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2scnc2c1 488267839 VTVMAQDYJFLEAN-LBPRGKRZSA-N 287.388 3.869 30 20 CHED C#Cc1ccc(C(=O)Oc2c(C)cc(Cl)cc2C)cn1 728800447 AYEQVMMCXPATEV-UHFFFAOYSA-N 285.730 3.552 30 20 CHED C=C(C)CNC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 486498947 RLRQDYZTNHZZSY-JKSUJKDBSA-N 272.392 3.588 30 20 CHED Oc1c(Cl)cc(Cl)cc1C=NOC1CCC1 812238290 RBEVFYDXSAYWHB-UHFFFAOYSA-N 260.120 3.602 30 20 CHED C=CCSc1ccccc1C(=O)NC(C1CC1)C1CC1 485465141 UEMZFRAQYUBPSO-UHFFFAOYSA-N 287.428 3.883 30 20 CHED Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccccc1 728438316 UDRIJOGQIADJDJ-FPLPWBNLSA-N 281.142 3.623 30 20 CHED CCC[C@@H](C)N(C)Cc1ccc(C#N)cc1Br 480698024 AWEQEZYVIOZKNS-LLVKDONJSA-N 295.224 3.941 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1C2CCC1CC2 576275149 STJBOQLMPGTGCY-UHFFFAOYSA-N 283.762 3.891 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(O)c(F)c1 728429773 PKXUMTMKYRHWRV-LLVKDONJSA-N 272.323 3.606 30 20 CHED C#Cc1cccc(N(C(=O)/C=C/C=C\C)C(C)C)c1 728247287 YTHBNRAEZMVZBL-BAIUDDDUSA-N 253.345 3.542 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](F)C1)c1ccc(C#N)cc1F 572482554 ZBPOLLDDGHIDQO-UHTWSYAYSA-N 264.319 3.629 30 20 CHED C=CCC1(C(=O)NCc2ccc(Cl)nc2)CCCCC1 822614459 VLQQCRDFRMDKJO-UHFFFAOYSA-N 292.810 3.878 30 20 CHED C=CCCCCSCc1cccc(C(=O)NC)c1 581002027 ZIFNOACVBDHAGK-UHFFFAOYSA-N 263.406 3.636 30 20 CHED Cc1c(Cl)cccc1/C=C\C(=O)c1cn(C(C)C)nn1 901531924 YXTHTJVLMLDZLQ-FPLPWBNLSA-N 289.766 3.717 30 20 CHED Cc1csc(NC(=O)N[C@H]2CCCC[C@H]2C)c1C#N 581413514 WGOXTHHGIPSGAF-SKDRFNHKSA-N 277.393 3.628 30 20 CHED C[C@H](NN=C1CCc2cc(F)ccc21)c1ccccc1 734296244 PFQDJXHZJDSBLA-LBPRGKRZSA-N 268.335 3.827 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2cccc(F)c2)c1 730148148 XZQGLTJMSUOONZ-BQYQJAHWSA-N 281.286 3.624 30 20 CHED CCCCCCCC(=O)N(C)[C@H](C)CCSC 736063704 UIROXMXIALMGLZ-CYBMUJFWSA-N 259.459 3.947 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nnc(-c3ccc(F)cc3)o2)C1 581865481 IYNSIJGEVVDART-JOYOIKCWSA-N 289.335 3.660 30 20 CHED C=CCC1(C(=O)OCc2nnc(C3CC3)o2)CCCCC1 838151424 GCZPPDZWHVYJMM-UHFFFAOYSA-N 290.363 3.517 30 20 CHED CCc1cccc(C)c1NN=C1CCCc2nc(N)ccc21 834975751 DPRACCYYGOTVPV-UHFFFAOYSA-N 294.402 3.687 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc2c(c1)CCO2 834877220 IJARTEXVIKJRMG-GQCTYLIASA-N 294.350 3.835 30 20 CHED C=CCNc1ncc(C(=O)N(C)C2CCCCCC2)s1 900097596 JMXUZBFQSNZAAO-UHFFFAOYSA-N 293.436 3.536 30 20 CHED CC(=NNc1nccnc1C(C)C)c1csc(C)c1 834978533 VCEBNMGPCDTUSU-UHFFFAOYSA-N 274.393 3.806 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2cccc(C)c2F)c1C 834422184 ZIPOPSFIZINSFR-KTKRTIGZSA-N 286.350 3.863 30 20 CHED CC[C@H](NC[C@@H](O)c1ccc(C)cc1)c1cccc(C#N)c1 902758960 MAAFWLQCYLXRQK-RBUKOAKNSA-N 294.398 3.641 30 20 CHED CC[C@@H](C)CON=Cc1cnc(CC(F)(F)F)s1 901246879 SRSTXZMTXWWXOL-MRVPVSSYSA-N 280.315 3.645 30 20 CHED C=CC(C)(C)COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 835723362 UHHRFHDEGNCZHY-SNVBAGLBSA-N 295.310 3.593 30 20 CHED O=C([C@@H]1[C@H]2CCC[C@H]21)N(O)Cc1cccc2ccccc12 901370051 POWBUERZVMWVEX-FVQHAEBGSA-N 281.355 3.604 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1nncc2ccccc12 909563255 VEBUHMMXUJQNKS-UHFFFAOYSA-N 297.358 3.507 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(COCC2CC2)c1 837367963 VUKCTNAWAKKENQ-UHFFFAOYSA-N 285.387 3.601 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2c(F)cccc2s1 735067602 LSFQMNOMZMSQSI-VIFPVBQESA-N 263.337 3.735 30 20 CHED COc1cccc(/C=C\C(=O)c2cnn(C(C)(C)C)c2C)c1 588559242 NDUVKOPAERXAQX-KTKRTIGZSA-N 298.386 3.851 30 20 CHED CC1(C)Cc2cccc(C=NNc3cccc(C#N)c3)c2O1 737429205 OSUPDCADOXKMMW-UHFFFAOYSA-N 291.354 3.718 30 20 CHED COc1ccc(C(C)=NNc2c(F)cccc2F)c(F)c1 735615228 MBHSMZUCLWOPQP-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C=C(Br)COC(=O)/C=C/C1CCCCC1 735565343 PIOAEGOHFOTALP-BQYQJAHWSA-N 273.170 3.575 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCc3cc(C)ccc32)cc1 733325941 AAPHPCMNNLHNPI-HXUWFJFHSA-N 291.394 3.784 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C/c1ccccc1O)CC2 730147840 URFQXNGMAYRQTQ-GYKGCMEESA-N 251.329 3.807 30 20 CHED N#Cc1ccc(COC(=O)c2coc3ccccc23)c(F)c1 733601025 YVXLLCGRQWBVOZ-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CCC#C[C@H](C)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 678745382 QEPAJDLKHALTFS-LSDHHAIUSA-N 289.419 3.935 30 20 CHED C#CCCOC(=O)c1ccc(Oc2ccc(F)cc2)cc1 919666339 PZSQJOOCYAPVGA-UHFFFAOYSA-N 284.286 3.798 30 20 CHED COCCC[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839435941 RICKDPOUXDNJGJ-CYBMUJFWSA-N 296.370 3.713 30 20 CHED CCN(CC)c1ccc(/C=N/Cc2ccsc2)c(O)c1 915980678 YRGNGJAIVWXEDH-GZTJUZNOSA-N 288.416 3.919 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc2ccncc2s1 838170875 KGABANNTKDOTKT-UHFFFAOYSA-N 288.372 3.783 30 20 CHED CCOc1cc(C=NNc2cc(C)ccc2C)ccc1O 916345650 KHKXDBUHVLZVHK-UHFFFAOYSA-N 284.359 3.854 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc2c(c1)CCCCC2 593271619 NBFOLHYIAIASJR-HNNXBMFYSA-N 285.391 3.769 30 20 CHED CCC(C=Nn1c(S)nnc1-c1ccccc1C)CC 916341997 RHYFLZGDPPHKRO-UHFFFAOYSA-N 288.420 3.812 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H]4C[C@H]4C3)c2c1 596508621 DVWCLYGVYKVIBW-KGLIPLIRSA-N 277.371 3.570 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 741845926 ZMIVMBLZINHKSU-DBGJAONPSA-N 273.376 3.789 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)[C@H](C#N)CCc1ccccc1 597752608 DYPNIBOYIGVGAP-ZBFHGGJFSA-N 284.403 3.548 30 20 CHED Fc1ccc(C=NOCc2cccnc2)c(C(F)(F)F)c1 746587634 QJOMQYXYRBOOLC-UHFFFAOYSA-N 298.239 3.790 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCCN(C(C)C)C1 745997942 ZMKOSWKKKQRQIN-MRXNPFEDSA-N 282.472 3.584 30 20 CHED C#C[C@H](NC(=O)[C@@H](c1ccccc1)C1CC1)c1ccccc1 843644694 XLAYDZVLNDIBLM-OALUTQOASA-N 289.378 3.671 30 20 CHED N#C[C@@H](C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1nc(C2CC2)cs1 842936845 AUOXOJYAAJNKKD-SYEHKZFSSA-N 286.400 3.633 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 672463801 HLVJIUUUSDPGSF-YOEHRIQHSA-N 286.419 3.713 30 20 CHED C[C@@H](OC(=O)CCC(C)(F)F)c1ccc(C#N)cc1 748677185 LIKSEHIQCFBYJE-SNVBAGLBSA-N 267.275 3.598 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1ccccc1F 915915509 QBWNWSMENSQMKP-UHFFFAOYSA-N 268.295 3.538 30 20 CHED Cc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1O 841894603 RKIPHCMJEZCUHL-GOSISDBHSA-N 292.382 3.740 30 20 CHED C#C[C@H](OC(=O)C[C@]1(C)CC1(Cl)Cl)c1ccccc1 842363428 ISJPOZRIPAJNQA-GXTWGEPZSA-N 297.181 3.878 30 20 CHED CCc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1O 848908207 ZDIGYGRUOSXWIQ-GOSISDBHSA-N 292.382 3.603 30 20 CHED C=C(CC)CNC(=S)Nc1cc(OC)ccc1Cl 840826973 YRMFOBCSAABHGD-UHFFFAOYSA-N 284.812 3.601 30 20 CHED C[C@H](CCC#N)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 591012293 MDWZHNAMTUKVSP-BPQIPLTHSA-N 286.419 3.778 30 20 CHED Cc1cccc2c1CCCN2C(=O)[C@]1(C#N)CC12CCCC2 590983050 PGRCMMJOJUCGSW-LJQANCHMSA-N 294.398 3.748 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccc(C)c(C)c1 916255347 UERROMGEKTTXAS-UHFFFAOYSA-N 282.343 3.838 30 20 CHED Cc1c(C=NN(C)[C@@H](C)CO)sc2c(Cl)cccc12 842538284 JWPXPAAAZVQQRJ-VIFPVBQESA-N 296.823 3.510 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccsc1)CC2 741847659 JMFHFCCFZFVATR-JYRVWZFOSA-N 270.353 3.969 30 20 CHED C=C(C)CONC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 846538400 WHDRMDFSHHIDGZ-SECBINFHSA-N 288.174 3.721 30 20 CHED C=C(C)COC(=O)CSCc1cccc(Cl)c1 916611558 ZRCLIISSULNZCS-UHFFFAOYSA-N 270.781 3.693 30 20 CHED CCOC1CCC(NCc2ccc(C#N)c(Cl)c2)CC1 595040311 TYYKPEMOLMGBMZ-UHFFFAOYSA-N 292.810 3.649 30 20 CHED CCCCCCCCOc1cccnc1[N+](=O)[O-] 915791468 OHWJZDRCIDKEGL-UHFFFAOYSA-N 252.314 3.729 30 20 CHED N#CCCSC[C@H](O)c1ccc(Cl)cc1Cl 840213601 NZUMSBFJIMYZLH-NSHDSACASA-N 276.188 3.674 30 20 CHED CCc1cccc2c(C=NNc3ccc(Cl)nn3)c[nH]c12 916287392 KINHZJKGKPLWMV-UHFFFAOYSA-N 299.765 3.620 30 20 CHED COc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1C 749745948 IOBBCDAGRCDVIJ-LZYBPNLTSA-N 284.286 3.759 30 20 CHED Cc1ccc(NC(=S)NN=C/C=C\c2ccco2)cc1 920362554 CDSMAKLSNPWGQR-BEQXULFMSA-N 285.372 3.574 30 20 CHED CCCCCCCCNC(=O)NCc1sc(C)nc1C 754858087 JMAATHJWIKFHNL-UHFFFAOYSA-N 297.468 3.920 30 20 CHED C[C@@H]1C[C@H]1C=NNCc1ccc(Cl)cc1Cl 758373671 ZHXGOLXKTQGMMP-SCZZXKLOSA-N 257.164 3.725 30 20 CHED CC(C)c1cccc([C@@H](C)NCc2ccc(C#N)cn2)c1 858407089 CPDBFNAEGDMBBX-CQSZACIVSA-N 279.387 3.927 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C)s2)c(O)c1 757471663 IRNNYRQXUDOGSE-SOFGYWHQSA-N 274.341 3.667 30 20 CHED COC(=O)C1CCC(=NNc2c(F)cccc2Cl)CC1 754973398 LCSDPKOXFSKWHI-UHFFFAOYSA-N 298.745 3.610 30 20 CHED C[C@H]1CCCC[C@H]1OCCOC(=O)C1(C#N)CCCCC1 920672975 IMDGOMLHFFGXDQ-LSDHHAIUSA-N 293.407 3.599 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1cccc(F)c1 759072824 LPVWYDGJBPTRRK-SNAWJCMRSA-N 267.712 3.832 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1coc2ccccc12 926627761 QLVSEZJWWURREU-LBPRGKRZSA-N 254.333 3.777 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1ccc(CC)cc1 921147837 MVGPCGWIIMMFQO-AWEZNQCLSA-N 275.392 3.583 30 20 CHED N#Cc1cc(F)c(C(=O)OCCCC2CCCC2)c(F)c1 756588880 HAJZHSRCDQKRMD-UHFFFAOYSA-N 293.313 3.964 30 20 CHED C#CCCOc1ccc(CNc2ncc(CC)s2)cc1 758454399 LBLJHGULCCFRPI-UHFFFAOYSA-N 286.400 3.720 30 20 CHED C#CCCCNc1nc(-c2ccc(F)cc2)cs1 756967599 BMTJFTVBMNMXNC-UHFFFAOYSA-N 260.337 3.775 30 20 CHED CCC(=NOCC(F)F)c1cccc(Br)c1 758904622 QSFNAPUZDZOYPW-UHFFFAOYSA-N 292.123 3.845 30 20 CHED Cc1cccc(CCC(=O)OCc2cc(F)ccc2C#N)c1 759355002 VZCUVWPAPMOHHK-UHFFFAOYSA-N 297.329 3.682 30 20 CHED CCc1nc(C=NNc2ccc(Cl)c(F)c2)cs1 755754372 WWVCUCORYXWQSP-UHFFFAOYSA-N 283.759 3.944 30 20 CHED FC(F)(F)[C@@H]1CCC[C@@H](C=NOC2CCOCC2)C1 853334832 SCGKGCRXHODLBC-GHMZBOCLSA-N 279.302 3.537 30 20 CHED C=CCC[C@@H](C)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 850554203 AXIFPSUXFYBHPV-QMTHXVAHSA-N 288.218 3.971 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 935434971 VCUPQUQSPHSMNL-CHWSQXEVSA-N 293.357 3.883 30 20 CHED CC[C@@H](C)N(CC)C(=O)Nc1cc(C)cc(C#N)c1 931700175 FDGQHHOGTWEBQC-GFCCVEGCSA-N 259.353 3.519 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc2c(c1)CCN2C 769747369 YKEJTRNGUMSFKL-XQRVVYSFSA-N 299.395 3.645 30 20 CHED CSCC(C)(C)NCCC1(C#N)CCCCC1 934669579 JOFOZZCJAUAASS-UHFFFAOYSA-N 254.443 3.582 30 20 CHED COc1ccc2cc(C=NOCC(F)(F)F)ccc2c1 764846797 PJWAJRHTBGFDTI-UHFFFAOYSA-N 283.249 3.761 30 20 CHED COc1nccnc1NN=C1CCC[C@@H]1c1ccc(C)cc1 763412031 NDCHSHMPOXCTDB-CQSZACIVSA-N 296.374 3.529 30 20 CHED C#CCCCSc1cc(Br)ccc1OC 766293813 SJGFQNSTHJYMOQ-UHFFFAOYSA-N 285.206 3.963 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2cnc3ccccc3n2)C1 768363672 BOZSAYDITZLNOR-OLZOCXBDSA-N 268.364 3.854 30 20 CHED Oc1nc2ccccc2cc1/C=N\C1Cc2ccccc2C1 762414179 XQAQOEBUDUNNLY-NDENLUEZSA-N 288.350 3.527 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNc1nc(C)cc(C)n1 769566763 JLNGWFOKHWPHHC-GXFFZTMASA-N 260.385 3.708 30 20 CHED C#CCCN(Cc1cc2ccccc2o1)CC(F)(F)F 767895445 PUDYZGJAVKWWQQ-UHFFFAOYSA-N 281.277 3.820 30 20 CHED CCCCCCC[C@@H](C)N[C@@H]1CCc2nc(C)ncc2C1 768515925 PYOFITICZBHIQB-RHSMWYFYSA-N 289.467 3.981 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc(Cl)c(C)c2)c(O)c1 760264039 JDDYGXPYSXNUFT-XQRVVYSFSA-N 287.746 3.954 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1ccc(OC)cc1 860503442 GTIVLTLITZQLIX-GFCCVEGCSA-N 275.348 3.629 30 20 CHED CC(=NNc1ccnc(Br)c1)c1ccc(C)o1 769811782 ABMJOJUJTOPHRS-UHFFFAOYSA-N 294.152 3.582 30 20 CHED CCCCCCCOC(=O)[C@H]1CCC(=O)[C@H](C)C1 761454808 IHSKNPFQPGLQRY-OLZOCXBDSA-N 254.370 3.505 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)C(CC)CC)c1 761669018 IRWZHAJSIZHWKT-ZDUSSCGKSA-N 257.377 3.703 30 20 CHED CC#CCCCC(=O)OCC(=O)c1ccc(C(C)C)cc1 767670471 DSWIUNSQXFXEFI-UHFFFAOYSA-N 286.371 3.730 30 20 CHED C[C@@H]1CCC[C@H](OCC(=O)OCCCCC(C)(C)C#N)C1 768693937 VXCBFCFOEPYDRK-CABCVRRESA-N 295.423 3.845 30 20 CHED Fc1ccc(CC=NOC2CCCC2)c(Cl)c1 766455065 OYDZWVXLHBKDCZ-UHFFFAOYSA-N 255.720 3.967 30 20 CHED N#CCCCCOC(=O)c1ccc(F)cc1C(F)(F)F 768100380 MGXZKLAZOGAOOI-UHFFFAOYSA-N 289.228 3.695 30 20 CHED CCOC(=O)Nc1ccc(NC[C@@H](C)CCC#N)cc1 876836059 KXQQZAFZLHSGPD-LBPRGKRZSA-N 275.352 3.607 30 20 CHED C#C[C@H](C)N(C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 775182500 ARSYNMBFPNTWIN-JTQLQIEISA-N 296.197 3.723 30 20 CHED C#CCCCCCCNCCC[C@@H]1CCCCO1 877352338 FCGAWSXHUOAAFN-INIZCTEOSA-N 251.414 3.509 30 20 CHED N#Cc1ccc(/C=C2\CCOc3ccccc3C2=O)c(F)c1 772806597 MFXMUKIMYGGMGB-GXDHUFHOSA-N 293.297 3.746 30 20 CHED N#C[C@H](OC(=O)Cc1ccccc1Cl)C1CCCCC1 776372093 YDCZVJYPKOPFEB-HNNXBMFYSA-N 291.778 3.898 30 20 CHED FC(F)Sc1ccc(C=NOC2CCOCC2)cc1 774453947 SSAJHDSAUAYKPQ-UHFFFAOYSA-N 287.331 3.531 30 20 CHED C#C[C@H](C)N(C)Cc1cc(-c2ccccc2)ccc1O 775186049 ZKUAPSDSBXBVMM-AWEZNQCLSA-N 265.356 3.513 30 20 CHED C#CCCCCCC(=O)Oc1ccc(OCC2CC2)cc1 779885081 LTGXUJIQZSJVTA-UHFFFAOYSA-N 286.371 3.965 30 20 CHED CC(C)c1nccnc1NN=C1CCc2ccc(F)cc21 773085584 JTQWXYOESSLGAX-UHFFFAOYSA-N 284.338 3.502 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2sccc2[C@@H]1C 878112657 SUJXQKMPMUPKQE-NSHDSACASA-N 263.406 3.796 30 20 CHED C=C(CC)COC(=O)c1cc(F)ccc1Br 773484892 ZDWJMDABUFJLME-UHFFFAOYSA-N 287.128 3.711 30 20 CHED Cc1ccc(OCCC(=O)OCCC(C)(C)C#N)cc1C 776371817 KPJNCZMWOXPFRW-UHFFFAOYSA-N 289.375 3.555 30 20 CHED COc1ccc(C)cc1CNc1ccccc1O[C@H](C)C#N 779743637 RUEVKWLEIGQMIS-CQSZACIVSA-N 296.370 3.907 30 20 CHED C#CCCCCCC(=O)N[C@H](C)CCc1ccccc1 779714288 XQWPCZZCLSFIAN-MRXNPFEDSA-N 271.404 3.708 30 20 CHED C=CCSCCN[C@H](C)c1ccc(N(C)CC)cc1 772952537 HIELHNMYVCEIRI-CQSZACIVSA-N 278.465 3.713 30 20 CHED C#CC[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1ccccc1 775400283 YMMPFKGPTMVMDZ-WDSOQIARSA-N 285.431 3.936 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(CC#N)cc2)C1 776111312 DHKMYKUCJHXPLY-CZUORRHYSA-N 271.360 3.622 30 20 CHED N#C[C@H](OC(=O)c1cc(F)c(F)c(F)c1)C1CCCCC1 776384010 WGWHJFWXKRMWGJ-ZDUSSCGKSA-N 297.276 3.733 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1cccnc1Cl 1120813270 BATMIKXWJAHRSJ-CQSZACIVSA-N 292.810 3.625 30 20 CHED C#CCCCCCC(=O)N[C@H](c1cccs1)C1CC1 779761840 UFVXADHCENCDAJ-INIZCTEOSA-N 275.417 3.899 30 20 CHED C#CCCCCCC(=O)NCC[C@H]1CCCC[C@H]1C 779914513 PCSPSOBCKLRNKB-HZPDHXFCSA-N 263.425 3.903 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1CO[C@@H](C)C1 784133181 XQZOTSYVLUAGJR-GJZGRUSLSA-N 269.429 3.668 30 20 CHED CC(=NNc1ccnc(F)c1)c1nc2ccccc2s1 781132677 GQSQHVWNHKHEOR-UHFFFAOYSA-N 286.335 3.667 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccccc1CC)OCC 782297726 MVEHSYIEENNKRQ-MRXNPFEDSA-N 276.376 3.664 30 20 CHED C#Cc1cccc(NCc2ccc(OCC)c(F)c2)c1 785507491 AOXIIDLKIZQBEY-UHFFFAOYSA-N 269.319 3.818 30 20 CHED C#CCSc1ccc(COC(=O)[C@H](C)CC)cc1 788412395 VVUIYRXWGOQRTB-GFCCVEGCSA-N 262.374 3.501 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2cscc2C)cc1 786928554 TZYNZDAFADBMAV-CQSZACIVSA-N 285.412 3.919 30 20 CHED C=C(C)CCNc1ccc([S@](=N)(=O)C(F)(F)F)cc1 882417536 XVSDVKGRPQORTN-IBGZPJMESA-N 292.326 3.990 30 20 CHED CCc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)nc1 882721311 CZKJILSCHASUEF-MRXNPFEDSA-N 293.370 3.670 30 20 CHED Cc1cc(C)nc(NN=C2CC(c3cccc(F)c3)C2)n1 781573376 DKXNHENANYROST-UHFFFAOYSA-N 284.338 3.578 30 20 CHED C(=NNCc1ccccc1)c1cnc(-c2ccco2)s1 782165220 CVZQSTPJWQLHQX-UHFFFAOYSA-N 283.356 3.527 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2)c(N)c1 781175052 QMFBCSXMJWYCDT-ZDUSSCGKSA-N 296.326 3.520 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NO[C@@H]1CCCCO1 785457415 MDZRDGCWULQXKO-CYBMUJFWSA-N 287.281 3.891 30 20 CHED CCCCCCCCC(=O)N(CC#N)c1ccccn1 892463469 GRRLTZCMDBOYIY-UHFFFAOYSA-N 273.380 3.689 30 20 CHED CCCCS[C@H](C)C(=O)OCc1ccc(F)c(C#N)c1 785739038 YMBVBBUOMXWWDV-LLVKDONJSA-N 295.379 3.662 30 20 CHED Cc1nsc(N(C)C(=O)C[C@H]2CCCC[C@H]2C)c1C#N 891432842 GUKQRVPQXPFTDH-ZYHUDNBSSA-N 291.420 3.502 30 20 CHED COc1cccc(NN=C2CC(c3cccc(F)c3)C2)n1 781595060 LIROOCOLAOGFFG-UHFFFAOYSA-N 285.322 3.575 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1O 787034129 RVUUBKWQHQAFKI-PIGZYNQJSA-N 296.345 3.741 30 20 CHED N#CCC1(OC(=O)/C=C\c2ccc(Cl)cc2)CCC1 788145647 VCLINISNHHTVKQ-DAXSKMNVSA-N 275.735 3.733 30 20 CHED CS[C@H](C)CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567672 ADBXPNDAGTVBBU-ZJUUUORDSA-N 296.461 3.758 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1ncccc1C 797788734 SVGNSOGRECVNKF-UHFFFAOYSA-N 269.373 3.620 30 20 CHED Cc1cc(O)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 793709783 RZQFWZSIXTVIDL-UHFFFAOYSA-N 294.354 3.754 30 20 CHED CC(C)c1occc1C(=O)OCc1ccc(F)c(C#N)c1 796390563 KDXFHBLDZUWKTO-UHFFFAOYSA-N 287.290 3.771 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCC2CC2)s1 797571753 VWDXNLVSBDXDBH-NSHDSACASA-N 276.405 3.807 30 20 CHED Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1C#N 799292916 PVMBDARLGBKNND-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(C)cc1 793181056 HQAFFEMQHBLREH-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(CC)s1 797172759 PUJMYTHMNXUPHR-UHFFFAOYSA-N 299.399 3.866 30 20 CHED C#C[C@H](/N=C\c1c(O)ccc2ccccc12)C(C)C 798343972 VRNGMGNFKIPOOF-GYXHFJGISA-N 251.329 3.622 30 20 CHED CC[C@H](C)NN=Cc1ccc(-c2cccc(F)c2F)o1 790184209 ZNMCUSQOLHYIQJ-JTQLQIEISA-N 278.302 3.947 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 791201281 XPVCJYLITWYHMO-NWDGAFQWSA-N 297.320 3.727 30 20 CHED N#CCC1(COC(=O)CCSCc2ccccc2)CC1 796734956 YCQGMSDWCQNTBT-UHFFFAOYSA-N 289.400 3.547 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 790905061 AIKAKWZKJNMFJU-AWEZNQCLSA-N 286.419 3.676 30 20 CHED CCOc1cc(C=NN[C@@H](C)C(C)(C)C)cc(Cl)c1O 793116072 WEIKLVQVTIMZJX-JTQLQIEISA-N 298.814 3.802 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NOCc1cccnc1 794857665 KVHZEJXXIHSLBP-UHFFFAOYSA-N 291.354 3.601 30 20 CHED Cc1cc(C)nc(Oc2cc(C)c(C#N)c(C)c2C)n1 580228261 WIVBVMQOGJUHDT-UHFFFAOYSA-N 267.332 3.683 30 20 CHED CCC(CC)(CC)C(=O)N1CCc2c(C#N)cccc21 591521048 GVRIFUPKYSZJQD-UHFFFAOYSA-N 270.376 3.664 30 20 CHED Cc1sccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 1219778277 TWLJUOLFDGNSDB-SNVBAGLBSA-N 285.372 3.811 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 767044318 KULXJCIOULLXMH-SOUVJXGZSA-N 261.409 3.511 30 20 CHED COc1cc(/C=C2/CCc3cc(O)ccc3C2=O)ccc1F 1319692417 VJMMCZTUYXRJGN-JYRVWZFOSA-N 298.313 3.752 30 20 CHED C(=NNc1nc2ccccc2s1)c1cccc2c[nH]nc12 1318684272 DYUOQLAHAZEKCS-UHFFFAOYSA-N 293.355 3.619 30 20 CHED CCc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1CC 1324889775 CYUFQMCTPXXNKE-UHFFFAOYSA-N 292.382 3.613 30 20 CHED COc1ccc2c(c1)CC[C@H]2Nc1ccc(OCC#N)cc1 1329305728 DKTGEFWKXCWNNU-GOSISDBHSA-N 294.354 3.697 30 20 CHED CCn1cc(C(C)=NNc2ccc(C)c(Cl)c2)cn1 1322035277 CQWYEFGLDNWBKY-UHFFFAOYSA-N 276.771 3.701 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnn(C2CCCCC2)c1 1321061621 QCORLQILZJGFOS-OAHLLOKOSA-N 287.407 3.569 30 20 CHED C=CCC1(c2nnc(-c3ccc(OC)cc3)o2)CCC1 1325791057 VKVSEUUEQFQECZ-UHFFFAOYSA-N 270.332 3.743 30 20 CHED CCn1c(C(=O)OCCC(C)(C)C#N)cc2ccccc21 1320657348 LSGFHNKXDDXFLC-UHFFFAOYSA-N 284.359 3.758 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1oc(SC)cc1C 1337552276 VHIBVIMRQKAJFS-GFCCVEGCSA-N 279.405 3.881 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)CC1 1332673409 GWERPDIFIDLQCQ-IRXDYDNUSA-N 293.451 3.833 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)CC#Cc1ccccc1)C1CC1 1252963683 VLDFUYGKXFXVGD-JKSUJKDBSA-N 283.415 3.854 30 20 CHED C=C1CCC(C(=O)N(CCCC)c2ccccn2)CC1 1331485772 LSPDJMVQCFRUIT-UHFFFAOYSA-N 272.392 3.961 30 20 CHED C=C(C)CCC(=O)Nc1cc(OC)cc(OC)c1Cl 1262789948 WTYLLQYPZVCBLI-UHFFFAOYSA-N 283.755 3.652 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(OC(C)(C)C)cc1 1337581556 SUILOQFBQFSHGJ-CQSZACIVSA-N 288.391 3.628 30 20 CHED CCCCCCCCCC(=O)N1CCCC[C@H]1CCO 103216870 KVVALNLYPQCEAU-INIZCTEOSA-N 283.456 3.891 30 20 CHED C=C[C@H](C(=O)NC[C@H]1CCCCC1(F)F)c1ccccc1 1347137616 XXZGPYSSWSICQL-CABCVRRESA-N 293.357 3.898 30 20 CHED C=C(C)CCC(=O)O[C@H](C)c1cccc(NC(C)=O)c1 1342331735 SOVJNZWQSKYSKM-GFCCVEGCSA-N 275.348 3.606 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H]1c2ccccc2OC[C@@H]1C 1348274297 APGRVDPXBJQEJQ-GWCFXTLKSA-N 282.286 3.511 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1Nc1cccc(CC#N)n1 1345067315 NZOOMRNNXSGNKB-KGLIPLIRSA-N 257.381 3.774 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc2oc(C)nc12 1262654388 FVDDXKUFWGJKNL-ZDUSSCGKSA-N 284.359 3.707 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1349961560 OSOWCFLNRMMTSQ-NSHDSACASA-N 284.746 3.954 30 20 CHED N#Cc1ccc(Cl)c(-c2nnc([C@@H]3CCCCO3)o2)c1 1261577622 DOCHULDEHIFSEN-LBPRGKRZSA-N 289.722 3.503 30 20 CHED CC(C)c1oc(-c2ccccc2)nc1C(=O)OC(C)(C)C#N 1347154667 VHLOJOMJAJJOOY-UHFFFAOYSA-N 298.342 3.924 30 20 CHED CCCCNc1nnc(SCC2(CC#N)CC2)s1 1350089516 OAWGKDDOJPRJFV-UHFFFAOYSA-N 282.438 3.536 30 20 CHED N#Cc1ccc(CCN2CCOc3c(Cl)cccc32)cc1 1459631165 NDMQAANPSKNADC-UHFFFAOYSA-N 298.773 3.653 30 20 CHED N#CC[C@@H](OC(=O)CCCc1ccsc1)c1ccco1 1520425193 KIZKSMZEVXDXHD-CQSZACIVSA-N 289.356 3.862 30 20 CHED Cc1cc(=NC(C2CCCC2)C2CCCC2)c(C#N)c[nH]1 1458638251 ZZLYAQMHTSVNBI-UHFFFAOYSA-N 283.419 3.845 30 20 CHED CCn1c(C(=O)O[C@@H]2CC[C@H](C#N)C2)cc2ccccc21 1524711605 GSNAIRBKOSZVNO-GXTWGEPZSA-N 282.343 3.510 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](C(=O)O)[C@@H]1C 1605267624 ZHDHHZMAJBNRKB-GJZGRUSLSA-N 297.439 3.839 30 20 CHED Cc1cc(C#N)cc(NCc2c(Cl)nc3ccccn23)c1 1461578290 FPKDGZQKLJQOIZ-UHFFFAOYSA-N 296.761 3.780 30 20 CHED CCc1oc2ccccc2c1CC(=O)N(CC)[C@H](C#N)CC 1538757853 VAFJVBZZTONZML-ZDUSSCGKSA-N 298.386 3.688 30 20 CHED N#CCCCCSc1cc(Cl)ccc1C(=O)O 1608181699 QCVWUDCVSAXLDM-UHFFFAOYSA-N 269.753 3.824 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1c(F)cc(C#N)cc1F 226125597 RQYIBORLHAHVED-QWHCGFSZSA-N 282.359 3.923 30 20 CHED C=C(Cn1c(C)nnc1N(C)CCC1CC1)c1ccccc1 1539766377 RWUPZQXONULLTA-UHFFFAOYSA-N 296.418 3.536 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2CCc1ccc(C#N)cc1 1615826880 XJWXEVFMMOZFDT-HNNXBMFYSA-N 292.382 3.697 30 20 CHED CN(c1ccnc(C#N)n1)C1c2ccccc2-c2ccccc21 1472715811 KJNVYIWHTQNHBE-UHFFFAOYSA-N 298.349 3.554 30 20 CHED CC[C@@H](C)N(CC)Cc1ccc(Cl)cc1C#N 1559992010 NBFPMLNXOKHCNG-LLVKDONJSA-N 250.773 3.832 30 20 CHED CCc1ccc2c(c1)CN(C(=O)C1(C#N)CCCCC1)CC2 1623741939 NBMKROUBLLBWSO-UHFFFAOYSA-N 296.414 3.608 30 20 CHED N#CC1(CCN2Cc3ccccc3CO2)CCCCC1 1560086994 QQFKSVBRKKXSNG-UHFFFAOYSA-N 270.376 3.798 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1F 229593143 PNCRDTCPQYTCHQ-IUODEOHRSA-N 260.356 3.756 30 20 CHED C=CCCN[C@H](C)c1cc(Br)cs1 229855821 BIWPKEXBWAAWSZ-MRVPVSSYSA-N 260.200 3.737 30 20 CHED CC[C@H](Nc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1648789166 JCWVRGMORJNFLZ-KRWDZBQOSA-N 293.370 3.582 30 20 CHED N#Cc1cnc(Nc2ccc(C3CC3)cc2)c(F)c1 1642516002 JLEMFGCQUBAGDP-UHFFFAOYSA-N 253.280 3.713 30 20 CHED C=CC[C@@H](Sc1ccc2ccccc2c1)C(=O)O 1588757956 CTMWEWHZRRPVOL-CQSZACIVSA-N 258.342 3.961 30 20 CHED C=C(C)C[C@@H](NC(=O)[C@@H](CC)CC1CCCCC1)C(=O)O 1588537361 NMKNJUXUBQJYQP-LSDHHAIUSA-N 295.423 3.519 30 20 CHED N#Cc1cccc(NCc2cc3ccncc3s2)c1 1662048281 RQYDEQPQAJBQKP-UHFFFAOYSA-N 265.341 3.780 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)ccc2F)cc1 1776114586 TUSKOWBYWNUWTQ-VQHVLOKHSA-N 284.286 3.728 30 20 CHED Cc1c(NN=C2C[C@@H]3CC=CC[C@@H]3C2)cccc1C(=O)O 1776089686 COPVSLSLJXGASB-BETUJISGSA-N 284.359 3.837 30 20 CHED O=C(O)c1ccc(NN=C[C@H]2CCc3ccccc3C2)cc1 1776012198 IHLOTOUJXXCZJU-ZDUSSCGKSA-N 294.354 3.588 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)o2)c(C)c1 1776133224 QEKOYJSKHJLHBI-LFPVQMOXSA-N 296.322 3.890 30 20 CHED CCCCc1noc(CSCCCC(C)(C)C#N)n1 161447531 WGJAQPWSJDOVSV-UHFFFAOYSA-N 281.425 3.975 30 20 CHED CC[C@H](CC(=O)N(C)[C@@H](C)CC#N)c1ccc(C)cc1 158883286 FSCJHXPCJALOCQ-LSDHHAIUSA-N 272.392 3.639 30 20 CHED Cc1cc(C)cc(NC(=O)[C@@H](C#N)c2nc(C)c(C)s2)c1 160153758 XBSGHQXZXRNRKB-CQSZACIVSA-N 299.399 3.623 30 20 CHED N#CCOc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 5155875 SNDCHJCVRCXZCC-RUDMXATFSA-N 281.286 3.624 30 20 CHED Cc1cncc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 274676543 ZDFFQNGALMTWOA-UONOGXRCSA-N 265.360 3.674 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccc(OC)c1 151289756 KKGKHDGAHJROQD-UHFFFAOYSA-N 260.333 3.507 30 20 CHED CCCN(CC#N)C(=O)C[C@H](CC)c1ccc(C)cc1 152496417 HEICLXBTDLPQDR-HNNXBMFYSA-N 272.392 3.641 30 20 CHED C/C=C/C=C/C(=O)N(CC)c1ccc(C#N)c(Cl)c1 156586227 AYOVGNNBBIZVCU-TWTPFVCWSA-N 274.751 3.697 30 20 CHED Clc1cccc(C#CCSc2ccncc2)c1 159992606 ZHYOWDLTWIUBFG-UHFFFAOYSA-N 259.761 3.879 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 510039852 LDUUBHAGMLWHAS-OFQRWUPVSA-N 282.387 3.565 30 20 CHED N#Cc1ccc(NCc2ccc3c(c2)CCO3)c(Cl)c1 236030761 VVBRQANHHLBQDH-UHFFFAOYSA-N 284.746 3.759 30 20 CHED COc1ccc(C#N)cc1CNc1cc(C)ccc1C 129238762 AUCJRZRSXIKZEW-UHFFFAOYSA-N 266.344 3.796 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3ccccc32)s1 135666631 ZVRMWDJUXCLTPT-MRXNPFEDSA-N 268.385 3.787 30 20 CHED C[C@H](Nc1ccc(C#N)cc1Br)C1CC1 37072290 HEYPBEDLSCODAH-QMMMGPOBSA-N 265.154 3.531 30 20 CHED Cc1cccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 48824403 DLCXUBXIFDNIJG-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(C(F)(F)F)c1C 285745300 RPNRQUKDCAYLFF-ZDUSSCGKSA-N 284.281 3.892 30 20 CHED C[C@H]1[C@H](C)CCN1c1ccc(C(F)(F)F)c(C#N)c1 302180234 DVDVYNOKVZYASJ-ZJUUUORDSA-N 268.282 3.812 30 20 CHED C[C@H](CCC#N)SCCN(C)Cc1ccccc1 193632724 NPFGEQFARPAFKS-CQSZACIVSA-N 262.422 3.544 30 20 CHED CC(C)C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 307823426 DLCHFLSHHVSUAA-CQSZACIVSA-N 260.356 3.565 30 20 CHED Cc1cc(C#N)cc(NC(=O)Cc2cccc(Cl)c2)c1 308139686 RHNIAUUCCJEACD-UHFFFAOYSA-N 284.746 3.701 30 20 CHED N#Cc1ccc(CNCc2cc(F)cc(Cl)c2)cc1F 404577064 RFSWYWCRSYJOKY-UHFFFAOYSA-N 292.716 3.780 30 20 CHED CC(C)C[C@@H]1CCCN1c1ncc(C#N)cc1Cl 513626508 YYBUCGBCOKHJHA-LBPRGKRZSA-N 263.772 3.622 30 20 CHED C[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CC[C@H]1C 85056019 JLMFNJXNQAOTFT-XUJVJEKNSA-N 260.356 3.612 30 20 CHED N#Cc1ccc(N2CCCC3(CCC3)C2)cc1Cl 480350720 CVMBSZKYFUAQIY-UHFFFAOYSA-N 260.768 3.982 30 20 CHED C=CCCCCCN1CCC(C(=O)OC(C)(C)C)CC1 487866985 HEKNMTGKLCSTBG-UHFFFAOYSA-N 281.440 3.787 30 20 CHED N#Cc1c(Br)cccc1N[C@@H]1CC[C@@H](F)C1 381820046 KOVJNVFELFJZCN-RKDXNWHRSA-N 283.144 3.623 30 20 CHED C=CCN(Cc1cccc(C(=O)O)c1Cl)C(C)(C)C 382482616 QQKUJMLHYDNNKQ-UHFFFAOYSA-N 281.783 3.825 30 20 CHED N#Cc1ccc(NCc2cnc(Cl)s2)c(Cl)c1 718211682 VMZKOGHWWWCIFC-UHFFFAOYSA-N 284.171 3.934 30 20 CHED CC(C)CC[C@H](C)NC(=O)c1cccc(SCC#N)c1 175504168 QPRIJFYKTKWTST-ZDUSSCGKSA-N 290.432 3.857 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCCOc1ccccc1 178394115 HPGYKJCCEUBDMC-UHFFFAOYSA-N 294.354 3.664 30 20 CHED COc1ccc(OC(C)C)c(NCc2ccc(C#N)cc2)c1 106858690 IUPLPWGTOKXLFK-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C=CCN(CC=C)Cc1nc(-c2ccccc2)oc1C 59385244 FHIPPSIYEJAXDJ-UHFFFAOYSA-N 268.360 3.824 30 20 CHED Cc1ccc(CCNCc2ccc(O[C@@H](C)C#N)cc2)cc1 116360442 NLGNQRKUTKYKBQ-INIZCTEOSA-N 294.398 3.618 30 20 CHED Cc1ccccc1CN(C)c1ccc(Cl)c(C#N)n1 110081172 QWNBJXWQQCPPSQ-UHFFFAOYSA-N 271.751 3.552 30 20 CHED N#Cc1ccc(/C=C/c2ccc(F)c(Cl)c2)nc1 179325760 DETGNUSYVMMXII-DAFODLJHSA-N 258.683 3.916 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)n1 462909864 FWIUMEGQMGIKCE-RBSFLKMASA-N 269.392 3.951 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@@H](c1ccccc1)C(C)C 103078679 VXUKSVOKDZQOBQ-NVXWUHKLSA-N 272.392 3.625 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccsc2)no1 109479524 UFWCXZURRIYWDO-SNVBAGLBSA-N 297.339 3.810 30 20 CHED CCCCCCC(=O)Nc1ncccc1OCCCC#N 171058491 PNZJDHXBIMERGZ-UHFFFAOYSA-N 289.379 3.673 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CC)c1ccccc1OCC 172065865 NTQHAWFDMUGANE-ZFWWWQNUSA-N 290.407 3.800 30 20 CHED C=CCOc1cccc(NC(=O)NCC(C)(C)SC)c1 175592476 WSDYIICTAQXQFZ-UHFFFAOYSA-N 294.420 3.515 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 117398616 QYRVNVNRBHQJMA-OAHLLOKOSA-N 271.364 3.601 30 20 CHED CCCOC(=O)c1ccc(NCc2ccc(C#N)cc2)cc1 22810599 FZVDHHGANHBYMZ-UHFFFAOYSA-N 294.354 3.737 30 20 CHED N#Cc1cc(F)c(N2CC[C@@H](Nc3ccccc3)C2)c(F)c1 301258419 UMJLBVWJFDFMTG-CQSZACIVSA-N 299.324 3.527 30 20 CHED C=CCc1ccc(OC(=O)CCC(F)(F)F)c(OC)c1 173930723 ZNWCHCLBSRRKJC-UHFFFAOYSA-N 288.265 3.672 30 20 CHED C=CCn1c(C)nnc1SCc1ccc(CC)cc1 172157767 GYSVEXRWZJWILE-UHFFFAOYSA-N 273.405 3.627 30 20 CHED CC[C@H](CNC(=O)c1cc(C#N)cs1)c1ccccc1 176882386 XTWVSHQYYHHJSX-CYBMUJFWSA-N 284.384 3.543 30 20 CHED Cc1ccc(CCNC(=O)Nc2cccc(C#N)c2)c(C)c1 65278925 MHPQRJUILCVQPF-UHFFFAOYSA-N 293.370 3.539 30 20 CHED CCc1ccccc1C/N=C(/N)Nc1ccc2c(c1)CCC2 304764652 YIBZIUVUEQFMPK-UHFFFAOYSA-N 293.414 3.665 30 20 CHED C=CCCOCCNc1c(C#N)cnc2c(C)cc(F)cc12 301817663 ICDJRLVVPZHTDS-UHFFFAOYSA-N 299.349 3.559 30 20 CHED C/C(=C\C(=O)OCC1(CC#N)CC1)c1ccccc1Cl 174730871 JMWBBJMQWFFKAE-ZRDIBKRKSA-N 289.762 3.980 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1cccnn1 178257986 YQHMUARIFCSEKR-UHFFFAOYSA-N 278.400 3.691 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)Oc1cccc(Cl)c1 303448708 CCKWVVOOFJCYEI-UHFFFAOYSA-N 295.810 3.922 30 20 CHED Cc1nc(C(=O)N(C)c2ccc(C(C)C)cc2)ccc1C#N 177953904 HHIIUQMZTSHTSG-UHFFFAOYSA-N 293.370 3.662 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)NCCCCC#N 172071136 QGZODBGUJXYNQE-AWEZNQCLSA-N 279.428 3.728 30 20 CHED C=C(C)CN(C)c1ncc(C(F)(F)F)cc1Cl 302080165 ZUQFGYMURGXOEF-UHFFFAOYSA-N 264.678 3.766 30 20 CHED CC(C)(C/N=C(\N)NC(C)(C)C)Cc1cccc(Cl)c1 305045882 XVZSXIFEQBHUEV-UHFFFAOYSA-N 295.858 3.612 30 20 CHED C[C@H]1CCC[C@@H](C)CN1c1nc(C(F)(F)F)ccc1C#N 301437862 SNDBAORQIJKKCM-MNOVXSKESA-N 297.324 3.987 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc1 175645587 MECNQGZGFWRGHV-ZDUSSCGKSA-N 273.376 3.512 30 20 CHED C#CCCCCC(=O)N(CC)[C@H](CC)c1ccncc1 120192359 GDRBTGBYDPDNHE-MRXNPFEDSA-N 272.392 3.575 30 20 CHED Cc1cc(-c2csc(Nc3ccc(C#N)cc3)n2)on1 185926473 AHXGXELSIMEBSH-UHFFFAOYSA-N 282.328 3.722 30 20 CHED CC[C@@H](C#N)N[C@@H](Cc1ccccc1)c1ccccc1 122197840 DAZQYCWLUOZCEW-ROUUACIJSA-N 264.372 3.862 30 20 CHED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 181806672 DYGWXVRIPWUGGN-SUMWQHHRSA-N 265.360 3.755 30 20 CHED N#CCc1ccc(NC(=O)NCc2ccccc2Cl)cc1 76085379 BMDXSJMJOZXPHX-UHFFFAOYSA-N 299.761 3.728 30 20 CHED CCN(C(=O)c1cccc(SCC#N)c1)C1CCCC1 79397949 OMGFOEFHKVNLJA-UHFFFAOYSA-N 288.416 3.707 30 20 CHED C#CCC(C)(C)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 185208284 FJPBVJNAJCYMEF-UHFFFAOYSA-N 297.320 3.713 30 20 CHED C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc21 76337709 IMBZRRMSCYTKMV-AWEZNQCLSA-N 290.366 3.641 30 20 CHED CC(C)C[C@H](C)NCc1cccc(OCCCC#N)c1 127682300 DVHRIPCVZCOLJA-HNNXBMFYSA-N 274.408 3.893 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]1C(C)C 413841866 XLVBJRDJNFNRON-IAGOWNOFSA-N 286.419 3.614 30 20 CHED C=C[C@@H](CC(=O)OCc1nc(C)cs1)c1ccccc1 122350607 YVISSXODLFELSL-ZDUSSCGKSA-N 287.384 3.855 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1OCCc2ccccc21 122291625 VVLNDXKHIWVIAZ-QGZVFWFLSA-N 287.403 3.505 30 20 CHED COc1cc(COC(=O)C2(C#N)CCCCC2)ccc1C 77960706 BHMUEMTYQHPDIM-UHFFFAOYSA-N 287.359 3.521 30 20 CHED N#Cc1cnc2ccccc2c1NCc1ccc(F)cc1F 315395898 GNAHRYXQVNYYFP-UHFFFAOYSA-N 295.292 3.997 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccccc2)cc1[N+](=O)[O-] 213900925 UXGWKTFEHXQMKP-NTMALXAHSA-N 267.284 3.799 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C(F)(F)F)cc1 76775490 MJGUBAMIQGUXGW-UHFFFAOYSA-N 278.661 3.579 30 20 CHED C=CCC[C@H](O)CN(Cc1cccc(C)c1)Cc1ccco1 36098676 VVCNENIYHQLLAJ-SFHVURJKSA-N 299.414 3.917 30 20 CHED Cc1cc(C(=O)Nc2ccccc2SCCC#N)co1 186765908 SHDMSSGMSXEQCZ-UHFFFAOYSA-N 286.356 3.846 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CCC[C@@H](C)C1 121646613 KSEDDWQDRNHRBM-KGLIPLIRSA-N 264.413 3.791 30 20 CHED C[C@@H]1Cc2ccccc2CN1CCCC(C)(C)C#N 174874686 QGGRAELCBIABDY-CQSZACIVSA-N 256.393 3.763 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@H](CC)c1ccccc1 78320135 ACRBARRRQKLNSP-HNNXBMFYSA-N 274.408 3.788 30 20 CHED CN(C(=O)NCCCCC#N)[C@@H]1CCC[C@@H]1C(C)(C)C 419452280 GJMDCWVDFJTLFS-UONOGXRCSA-N 279.428 3.536 30 20 CHED CCN(Cc1ccc2c(c1)CCC(C)(C)O2)C[C@@H](C)C#N 509818044 FJXVWDOSFUCSHJ-AWEZNQCLSA-N 286.419 3.772 30 20 CHED CCc1occc1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416100817 MPIGTADCHCKFAI-MRXNPFEDSA-N 294.354 3.521 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(-c2ccccc2)[nH]1 187953479 LAIXQZAAOAGHDI-ZDUSSCGKSA-N 268.316 3.531 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1ccccc1OC)C2=O 213632534 LMMACOCIGZEGJV-RVDMUPIBSA-N 294.350 3.916 30 20 CHED C=CCCC[C@@H](C)Nc1ncnc2oc(C)c(C(C)=O)c12 183444790 UJWGLNLXNLECDW-SNVBAGLBSA-N 287.363 3.891 30 20 CHED C=CCC[C@@H](C)NC[C@H](c1ccco1)N1CCCCC1 184857249 FTZGQSFMNLSYIN-HZPDHXFCSA-N 276.424 3.751 30 20 CHED CC(C)(C)CC(C)(C)NCCCC1(C#N)CCOCC1 410345035 NAEFJBAKOHWJQT-UHFFFAOYSA-N 280.456 3.891 30 20 CHED C=CCC[C@@H](NCc1ccc(C)nn1)c1ccccc1 414362820 UECLBLXECPEYJI-QGZVFWFLSA-N 267.376 3.582 30 20 CHED C#CCCOc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1 183718099 UTUNPVBZDBLQDP-INIZCTEOSA-N 294.398 3.677 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@H](C)c1ccc(C#N)cc1 187984069 NRBFQUYNMSJDRJ-WBMJQRKESA-N 257.333 3.765 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(O[C@H](C)CC)cc1 410121147 JFYVPHATYSYFPL-UKRRQHHQSA-N 275.392 3.948 30 20 CHED C=C(Br)CN[C@H](C)c1nc2ccccc2s1 133325982 HJWWTKWPNBHHFO-SECBINFHSA-N 297.221 3.856 30 20 CHED C=CCC1(C(=O)Nc2nccc(-c3ccco3)n2)CCCC1 410716491 HRBBQVPOGMCMPW-UHFFFAOYSA-N 297.358 3.812 30 20 CHED CC(C)c1ccc(NC(=O)NCC2(C#N)CCC2)cc1 416717005 BBFRLLFYWGGALV-UHFFFAOYSA-N 271.364 3.625 30 20 CHED C=CC[C@H](CC)NC(=O)COc1ccc(C(C)C)cc1 410122633 ZWLSATCOBYILEC-HNNXBMFYSA-N 275.392 3.660 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1csc(C(=O)O)c1 182288753 GTSMTXLGRVMCLG-HWKANZROSA-N 290.315 3.790 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 180437119 VLRPWUDHBHJYLR-ROUUACIJSA-N 279.383 3.978 30 20 CHED Cc1[nH]c2ccc(C/N=C(/O)[C@H]3CCCC(O)=N3)cc2c1C 328781152 HFMGNHIFRAKIIT-OAHLLOKOSA-N 299.374 3.750 30 20 CHED COc1cc(C#N)cc(Cl)c1OCc1cccc(C#N)c1 192975856 SIMUPIFJSIBTIG-UHFFFAOYSA-N 298.729 3.671 30 20 CHED CC(C)(C)c1n[nH]cc1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 328852408 VQWGJUDETDUKDB-YNEHKIRRSA-N 289.423 3.981 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc(O)c1 507732358 LSCBBHQKLGOIEC-UHFFFAOYSA-N 294.398 3.922 30 20 CHED CSc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 49612109 PGFFXEINZUNMAC-UHFFFAOYSA-N 282.368 3.727 30 20 CHED C#CCCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C1CC1 192117701 WVOUXEIMAHCXEP-OAHLLOKOSA-N 299.414 3.626 30 20 CHED CCCCCNC(=O)N(CCC)Cc1ccc(C#N)cc1 42845019 GQTIQCPMIBYKNK-UHFFFAOYSA-N 287.407 3.670 30 20 CHED C=CCN(CC=C)Cc1cccc(SC(=O)N(C)C)c1 84076190 PYQFLVNUWNYQGS-UHFFFAOYSA-N 290.432 3.634 30 20 CHED CCc1ocnc1/C(O)=N/C[C@@H]1C[C@H]1C1CCCCC1 329352721 URAOMPWRHWFJLL-STQMWFEESA-N 276.380 3.758 30 20 CHED C=CCSCCNC(=O)Nc1cccc(C(C)C)c1 195729799 NDKMQGOERCYHAE-UHFFFAOYSA-N 278.421 3.851 30 20 CHED C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1 86035745 CCFDNBHVVXUCTM-VNCLNFNDSA-N 276.383 3.961 30 20 CHED COc1cc(/C=C/C(=O)c2cccs2)ccc1C 193121894 MOAJJNUBBYMPMC-BQYQJAHWSA-N 258.342 3.961 30 20 CHED C[C@H](S[C@@H](C)c1cnccn1)c1cccc(C#N)c1 190827732 LLDKFYSYKXKTCO-RYUDHWBXSA-N 269.373 3.904 30 20 CHED CC(=O)c1ccc(NCc2ccc(F)c(C#N)c2)cc1C 135087004 AKBUTXBUWHGGOQ-UHFFFAOYSA-N 282.318 3.821 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1oc(CC)nc1C 428454221 CQBDDEKZPZNZLJ-UHFFFAOYSA-N 295.386 3.605 30 20 CHED Cc1ccc(OC(=O)c2cccc(CC#N)c2)cc1C 42200328 ZFLKDTHDNUFZJA-UHFFFAOYSA-N 265.312 3.589 30 20 CHED C#CCSCCN[C@H](c1cccs1)C1CCCC1 222108345 QZIWJUXAGZOIEO-HNNXBMFYSA-N 279.474 3.935 30 20 CHED C=CCC1(C(=O)NCCc2ccc(C)cc2C)CCC1 190194299 ALSWIQTYLOFUEF-UHFFFAOYSA-N 271.404 3.709 30 20 CHED C#Cc1cccc(N(C(=O)CC2CCC2)C(C)C)c1 80277748 FFMQWTFUEUWXCZ-UHFFFAOYSA-N 255.361 3.600 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 336245187 LSGDXOSRNASTCV-YMTOWFKASA-N 297.185 3.502 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@@H](C)CC#N 86302205 CGRFWEJFSRTKQN-JTQLQIEISA-N 299.296 3.780 30 20 CHED Cc1cc(C)cc(C(O)=Nc2cnc(C(C)C)nc2)c1 331062155 CORYXCGESZNMKU-UHFFFAOYSA-N 269.348 3.853 30 20 CHED Cc1c(-c2ccc(Cl)cc2)nnn1CC1(C#N)CCC1 335208783 WXHCOGYWIWLPAK-UHFFFAOYSA-N 286.766 3.601 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1(CC=C)CCC1 191888281 WXEBFIMCAJNSNT-UHFFFAOYSA-N 294.398 3.819 30 20 CHED C[C@@H]1CN([C@H](C(=N)O)c2ccc(C#N)cc2)CC(C)(C)C1 335131601 AKRPRYDAMCYOCZ-WFASDCNBSA-N 285.391 3.503 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 513181818 DFZURNURFDKQQF-OLZOCXBDSA-N 257.381 3.958 30 20 CHED C#CCCCC(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 190607486 UZGHZJCIEOKLGE-UHFFFAOYSA-N 295.386 3.540 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 338129859 JFKFPTHTQUZFNS-ACJLOTCBSA-N 290.366 3.700 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc(OC(F)(F)F)cc2)C1 192626586 BXDBHWLMWUFMSS-CHWSQXEVSA-N 298.308 3.757 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425132415 RBOCWDBBWYFWQO-YLQAJVPDSA-N 270.376 3.514 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OC)c(COCC)c1 426560443 QAWQJUXIJNHTGU-KRWDZBQOSA-N 289.419 3.772 30 20 CHED C=CCOCCSc1nccn1-c1ccc(Cl)cc1 338526220 NTVVBQLLMAAKBD-UHFFFAOYSA-N 294.807 3.820 30 20 CHED N#Cc1cc(NCc2cnoc2-c2ccco2)ccc1F 338202639 AKNQIQZDPGJGMA-UHFFFAOYSA-N 283.262 3.557 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccccc1)C(CC)CC 429967721 YBFGJLCHBNFRJJ-INIZCTEOSA-N 274.408 3.991 30 20 CHED CN(CCC1CCCCC1)C(=O)NCC#Cc1ccccc1 510209786 GXFPRPGVULECIA-UHFFFAOYSA-N 298.430 3.650 30 20 CHED CCN(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H](C)C#N 91983149 AWECAGHJQOXVCN-JTQLQIEISA-N 288.288 3.826 30 20 CHED C=CCN(CC=C)C[C@H](OC)c1ccc(Cl)cc1 513968717 JRKPMDTYIRVSGM-HNNXBMFYSA-N 265.784 3.702 30 20 CHED Cc1ccc(NC(=O)N2CCC(CCC#N)CC2)c(C)c1 335477255 PNGRHSHFHOOKIP-UHFFFAOYSA-N 285.391 3.851 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCCC#N 330907572 WGROXWSCYBVMGC-LBPRGKRZSA-N 293.436 3.788 30 20 CHED Cc1cccc(Cl)c1C(=O)N1CCC(CCC#N)CC1 335502291 YUBVXUVBGQTKRS-UHFFFAOYSA-N 290.794 3.804 30 20 CHED N#Cc1cccc(C#N)c1NCCc1ccc2ccccc2n1 436316701 JLPGCQRPLPIBMX-UHFFFAOYSA-N 298.349 3.633 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NCC1(CC#N)CC1 619535328 NLXPOTYBKMVDFU-CJNGLKHVSA-N 254.377 3.593 30 20 CHED C[C@@H]1CC(C(=O)N2CCC(CCC#N)CC2)C[C@@H](C)C1 335501482 QTPXUIMQCDIXMA-KBPBESRZSA-N 276.424 3.601 30 20 CHED CCC1(CC)CN(C(=O)c2ccc(C#N)[nH]2)c2ccccc21 331547992 HWRXWTMXLRJGML-UHFFFAOYSA-N 293.370 3.605 30 20 CHED CC[C@@]1(C)CCN(C(=O)Nc2cccc(C#N)c2C)C1 431719173 OPYAXPCAVYYBCF-INIZCTEOSA-N 271.364 3.521 30 20 CHED CCOc1ccccc1NC(=O)NCC(C)(C)CCC#N 348073785 ZUFLYQKSLGPCLN-UHFFFAOYSA-N 289.379 3.537 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1cccc(CC#N)c1 529469135 RCJOFNRWKILNIG-HNNXBMFYSA-N 292.382 3.878 30 20 CHED C=CCN(CCC#N)Cc1ccc(C(F)(F)F)s1 430092519 AUUOQXSRUNGCIC-UHFFFAOYSA-N 274.311 3.669 30 20 CHED CC1(C)CCCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 526096818 PESNTVZPBFVMDH-UHFFFAOYSA-N 290.794 3.864 30 20 CHED CCS[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 248904237 UTAHLPOEMCFBIR-CBBWQLFWSA-N 266.454 3.723 30 20 CHED C=CCn1cccc1-c1nc(-c2c[nH]c3ccccc23)no1 347044121 MZNPMEFFZGODBU-UHFFFAOYSA-N 290.326 3.872 30 20 CHED Cc1ccc(C#N)c(Nc2cccc(COC(C)C)c2)n1 341822052 KPQOHGUIWPJTSV-UHFFFAOYSA-N 281.359 3.930 30 20 CHED Cc1ccc(SC[C@H](C)Nc2cc(C#N)ccn2)cc1 342883333 NGEVLORBTBRXQS-ZDUSSCGKSA-N 283.400 3.854 30 20 CHED Cc1cc(Br)ccc1[C@@H](C)NCCCC#N 603427369 HDYGDBVWSDZUJA-LLVKDONJSA-N 281.197 3.712 30 20 CHED C=CCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 522484419 KWUMRLWHCKGUGG-UHFFFAOYSA-N 297.383 3.510 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccccc1N(C)C 348204614 GRKNEJWUSRLCCI-AWEZNQCLSA-N 273.424 3.733 30 20 CHED C=C(C)COc1cc(CN[C@@H]2CC[C@@H](F)C2)ccc1OC 342273620 GOIJOVSCTBTBJD-HUUCEWRRSA-N 293.382 3.630 30 20 CHED N#CC1(CSCCOc2ccc(Cl)cc2)CC1 344491416 YIAIAKKIDFPZQQ-UHFFFAOYSA-N 267.781 3.756 30 20 CHED Cc1ccc(C(C)C)c2c1C(=O)/C(=C\c1ccnn1C)CO2 255064447 SDKFFGHPNLBEFA-LCYFTJDESA-N 296.370 3.511 30 20 CHED Cc1sc(NC(=O)C2CCC=CCC2)c(C#N)c1C 602227888 JUIQNZBZLATITO-UHFFFAOYSA-N 274.389 3.922 30 20 CHED C=C(C)CN(CC)C(=O)COc1ccc(C(C)C)cc1 255926929 VEVHSUXERDVDIF-UHFFFAOYSA-N 275.392 3.613 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccncc1F 340308581 JAIPPZHAXJHHGM-GUYCJALGSA-N 283.350 3.916 30 20 CHED CCc1cc(C#N)c(NC(=O)C2CC(C)(C)C2)s1 341436341 HYIJWZAPIYHVGD-UHFFFAOYSA-N 262.378 3.557 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCCC1)C1CCCCC1 52343096 IPUNMSSAFOYAOZ-CYBMUJFWSA-N 262.397 3.545 30 20 CHED Cc1nc(-c2nc(C3CCC(C)(C)CC3)no2)ccc1C#N 347508535 RTVYDGFESNOFSU-UHFFFAOYSA-N 296.374 3.996 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)[C@@]1(C#N)C[C@@H]1C 448610184 GKIFBFHVPQEJSI-KPZWWZAWSA-N 296.370 3.503 30 20 CHED C[C@H](CCC#N)CN1CC[C@@H](C(F)(F)F)C1(C)C 602630434 PMOZJKCKTHLECT-GHMZBOCLSA-N 262.319 3.589 30 20 CHED Cc1ccccc1C(=O)/C=C\c1csc([N+](=O)[O-])c1 255626814 XFPWRPNHWBLPKC-SREVYHEPSA-N 273.313 3.861 30 20 CHED COCCOc1cccc(/C=C\C(=O)c2ccccc2C)c1 255375620 OXZHCFPNMGEUKO-KHPPLWFESA-N 296.366 3.916 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc2c1OC(C)(C)C2 530397647 PXPGAONPKHXVCB-UHFFFAOYSA-N 286.375 3.606 30 20 CHED C=CCCO[C@@H](C)c1nc(CCCc2ccsc2)no1 357485684 PVLQOOAZPLYSBQ-LBPRGKRZSA-N 292.404 3.960 30 20 CHED CCN(CCC#N)Cc1cc2ccccc2cc1OC 449008153 HQNCPUBYCYTKPF-UHFFFAOYSA-N 268.360 3.584 30 20 CHED C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 601285735 UPWIKHKMSUSXJL-ZMYBRWDISA-N 292.382 3.739 30 20 CHED N#Cc1cc(NCc2cccc3[nH]ncc23)ccc1Cl 600851090 VGBBQWHUDRFMTN-UHFFFAOYSA-N 282.734 3.700 30 20 CHED CCN(C(=O)CCC(C)(F)F)[C@@H](C)c1ccc(C#N)cc1 603737846 WUKAEBZVYPNKCN-LBPRGKRZSA-N 294.345 3.903 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cnc(C2CC2)o1 600106474 GSBUNAYCTTXIQC-UHFFFAOYSA-N 295.386 3.836 30 20 CHED COc1cccc([C@@H](C)NC2CCC(C)(C#N)CC2)c1 449086289 BVBKCKUDLWWAJL-BZOOQXSSSA-N 272.392 3.818 30 20 CHED C=CC[C@@H](C)[C@H](C)NCC(C)(C)C1(O)CCCC1 449735214 GFNTUNHRADOYEG-KGLIPLIRSA-N 253.430 3.508 30 20 CHED Cn1cccc1-c1csc(Nc2ccc(C#N)cc2)n1 354625187 QQYUAVWTIOCLRD-UHFFFAOYSA-N 280.356 3.764 30 20 CHED C=CCN(C(=O)[C@H](C)CSCc1ccccc1)C1CC1 539036031 XMANRIYCFMGHNG-CQSZACIVSA-N 289.444 3.733 30 20 CHED C=CC(C)(C)CN[C@H]1CCN([C@H](C)c2ccccc2)C1 449484610 IHAMYGHIRVKWEK-WBVHZDCISA-N 272.436 3.624 30 20 CHED C=CCC[C@H](CC)NCc1csc([C@@H](C)OC)n1 268894718 AMPHMGFLMLDLEE-NEPJUHHUSA-N 268.426 3.685 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 618801832 CKHCKPBWEIIVFL-VNVHMNPZSA-N 268.404 3.960 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC(C)(C)CC1 537269599 BHTFKFUFTTWWQA-AWEZNQCLSA-N 266.429 3.953 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)Cc1ccccc1Cl 611082064 GXRMZTSKTHAJBS-JSGCOSHPSA-N 292.810 3.573 30 20 CHED N#Cc1ccc(CNCCc2c[nH]c3cc(Cl)ccc23)o1 610270769 LXCGPAYEXDNTDK-UHFFFAOYSA-N 299.761 3.618 30 20 CHED N#Cc1ccc(F)c(CNc2nccc3ccc(F)cc23)c1 354328692 OCFLAHWEJZJJMB-UHFFFAOYSA-N 295.292 3.997 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@@H](c1cccs1)n1cccc1 353790349 VQMLCFLMHFGFMF-KGLIPLIRSA-N 288.416 3.610 30 20 CHED N#Cc1ccnc(N[C@H]2CCc3sc(Cl)cc32)c1 357589168 BYVQXWVZDWVHSO-JTQLQIEISA-N 275.764 3.768 30 20 CHED C=CCC1(NC(=O)[C@@H](CC)CC2CCCC2)CCOCC1 618247640 DXYZELKHXGWNJZ-INIZCTEOSA-N 293.451 3.834 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(SC)c(Cl)c1 267284383 IRPOXBCRXVDYDM-UHFFFAOYSA-N 282.796 3.549 30 20 CHED CCSCc1ccccc1C(=O)N[C@@H](C#N)CC(C)C 619221709 KWEKKKKSJFXCDA-CQSZACIVSA-N 290.432 3.608 30 20 CHED C=CC(C)(C)c1nc(COc2ccc(Cl)c(F)c2)no1 453186664 MZOHSJSIEFUYHR-UHFFFAOYSA-N 296.729 3.905 30 20 CHED N#Cc1ccc(CNC(=O)CC2=CCCCC2)cc1Cl 619762216 PQTZWJQJLBQWKP-UHFFFAOYSA-N 288.778 3.718 30 20 CHED N#Cc1cc(N[C@@H](c2ccccc2)C2CCCC2)ncn1 617947359 UUPMPMNWDRRUMM-KRWDZBQOSA-N 278.359 3.692 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)C1 610356835 AUMZXIAZGBMATF-IIAWOOMASA-N 299.418 3.745 30 20 CHED C=C(C)CCc1noc(CCCC(=O)C(C)(C)C)n1 453180906 KTIQDVWSQFMOMB-UHFFFAOYSA-N 264.369 3.516 30 20 CHED CCN(CCC#N)Cc1cc(Cl)ccc1OCC1CC1 361301509 QAYUDPCYBHSPMH-UHFFFAOYSA-N 292.810 3.864 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 279460272 CPLDFVBQJASDBV-NVXWUHKLSA-N 287.378 3.772 30 20 CHED C=CCC1(CN[C@H](c2ccccc2)c2nc[nH]n2)CCCC1 453384902 UGMVICZDZZHMNP-MRXNPFEDSA-N 296.418 3.620 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCOC1CCCC1 360644532 BBEALNPRFWXUGF-LJQANCHMSA-N 298.430 3.875 30 20 CHED C=C(CC)CN[C@H](CCO)c1cccc(C(F)(F)F)c1 451303807 HFCAYPVOYQUMPV-CQSZACIVSA-N 287.325 3.685 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1nnc(C(C)(C)C)s1 271563664 YAQXHDIBBDNFRC-WDEREUQCSA-N 267.442 3.526 30 20 CHED C=CCCCCCN(C)Cc1cc(C)c(C(=O)OC)o1 610079884 BIZXCUBGSVGSHL-UHFFFAOYSA-N 279.380 3.553 30 20 CHED C=C(C)CCNC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 452716925 JQWVDZCACGLHIQ-UHFFFAOYSA-N 299.370 3.569 30 20 CHED C=CCCCCNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 364216276 MIYXELNXMXBRBO-QBBMROGASA-N 279.399 3.767 30 20 CHED C=CCN(Cc1ccc2c(c1)CC(C)(C)O2)C1CC1 544600317 MVTKOCXKXXCPMS-UHFFFAOYSA-N 257.377 3.551 30 20 CHED C[C@@H](CC(=O)N1CCc2ccc(C#N)cc21)c1ccccc1 270241400 NWFOHHFFDNTNAK-AWEZNQCLSA-N 290.366 3.641 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2)o1 453369283 TUEKIDNJIPBMRQ-GOEBONIOSA-N 285.387 3.924 30 20 CHED CCSc1cccc(CN2CCC(CC#N)CC2)c1 546035332 UZCMMYFTGCQTLJ-UHFFFAOYSA-N 274.433 3.924 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@H](C)c2ccccc21 458987312 LWTHYSQWVKEVER-LBPRGKRZSA-N 258.365 3.532 30 20 CHED C=CCCN(C)C(=O)c1cccc(-c2csc(C)n2)c1 276344934 GQMRTGOOJYHCHA-UHFFFAOYSA-N 286.400 3.767 30 20 CHED C=CCCC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 629851848 ZJDCITVAPSUHHR-CQSZACIVSA-N 263.768 3.800 30 20 CHED CC1(C)CC(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 375837814 HQAFMCFCEIAMDX-IAGOWNOFSA-N 296.414 3.721 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@@H]1CCC(C)C 467015549 SAMPNCXTEZVWGY-CABCVRRESA-N 266.429 3.809 30 20 CHED CC[C@@H](C(=O)N1CCC(CC#N)CC1)C1CCC(C)CC1 547308850 QCVKPGGBOWSBKW-BDVYOWHSSA-N 290.451 3.991 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1cccc(Cl)c1Cl 464752369 PHXPHEZWAGJBAG-RKDXNWHRSA-N 287.190 3.928 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(NC)ccc2Cl)C1 622144471 IWZYTWGYKQAUHE-LBPRGKRZSA-N 292.810 3.810 30 20 CHED Cc1ccc(C(=O)NCc2ccc(C#N)cc2)c(Cl)c1C 544006882 YZRJACDXCCNDDL-UHFFFAOYSA-N 298.773 3.759 30 20 CHED N#Cc1ccc(Sc2ccc([N+](=O)[O-])cc2F)c(F)c1 463078294 PKAZSMUZEFCCLA-UHFFFAOYSA-N 292.266 3.896 30 20 CHED C=C[C@H](CC(=O)NC[C@H](CCC)OCC)c1ccccc1 628344582 DMMBXYLXQAVAIV-WBVHZDCISA-N 289.419 3.668 30 20 CHED C=CCCCCCN(C)Cc1ncccc1Cl 625183962 BQKYGPBMRSTBSY-UHFFFAOYSA-N 252.789 3.913 30 20 CHED C[C@@]12CCN(Cc3cccc(C#N)c3)C[C@H]1C2(Cl)Cl 283950378 ANJJYUWCRMZXDE-ZIAGYGMSSA-N 295.213 3.574 30 20 CHED C=CCCCC[C@H](C)N[C@H]1COCc2ccccc21 550940337 UTYOBGLCNPEUAD-YOEHRIQHSA-N 259.393 3.982 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)Cc1ccccc1 280693071 BIGSLMIAMPYUIR-KURKYZTESA-N 273.420 3.579 30 20 CHED CC#CCCCC(=O)N(CCCC)Cc1ccccc1O 282522400 PPGIKPZWSLLMDA-UHFFFAOYSA-N 287.403 3.715 30 20 CHED N#CCCCN1CCC(c2cccc(Cl)c2)CC1 280275752 DCYLRRWNEWPFBH-UHFFFAOYSA-N 262.784 3.823 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2c(Cl)cccc2Cl)C1 558704867 RBLBSZJVAWQIDM-NXEZZACHSA-N 269.175 3.775 30 20 CHED CC(C)C[C@H]1CCCN(c2c(C#N)nnc3ccccc23)C1 469207520 VZYBNEWJCGTFHR-CQSZACIVSA-N 294.402 3.764 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)Cc1ccsc1 555746785 GNJIZBWPROZWFV-GFCCVEGCSA-N 280.437 3.581 30 20 CHED Cc1ccc(-c2csc(CN(CC#N)C3CC3)n2)cc1 286184896 ZORGYJKNPJHCDP-UHFFFAOYSA-N 283.400 3.607 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1cccc(C2CCC2)c1 282084006 ALXUSHYMFQVGKS-HNNXBMFYSA-N 270.376 3.622 30 20 CHED COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(F)cn1 287797680 TXUVFRVKUYCWEM-RYUDHWBXSA-N 299.349 3.513 30 20 CHED C=CCN(Cc1cccc(NC(C)=O)c1)c1ccccc1 630056731 RUKMZPKRPDKVBK-UHFFFAOYSA-N 280.371 3.838 30 20 CHED Cc1nc(Nc2ccc([C@@H]3CCOC3)cc2)ccc1C#N 292751660 JPBWSUMNMGXXID-OAHLLOKOSA-N 279.343 3.509 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H](C)CCSCC 474091750 XZKHGPRRPVSJSQ-ZDUSSCGKSA-N 272.458 3.516 30 20 CHED C/C(=C\c1ccccc1OC(F)F)CN(C)[C@H](C)CC#N 290366367 HICIYOULJBUNRM-RSKUSDAESA-N 294.345 3.925 30 20 CHED C=CCC[C@H](O)CN(c1ccccc1)C1CCCC1 472742251 ZSQPDZBYLZPGRA-KRWDZBQOSA-N 259.393 3.763 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1nccc(C#N)n1 295493239 KCVRIKHPNAJMGT-IRXDYDNUSA-N 292.386 3.511 30 20 CHED C[C@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)c2nccn21 294040788 IQGMECCYRITRHN-XJKSGUPXSA-N 296.374 3.684 30 20 CHED C[C@H](CCC#N)N[C@H]1CCC[C@@H]1Cc1ccccc1 298359306 CGYAXNYHLNUNER-OIISXLGYSA-N 256.393 3.680 30 20 CHED C=CCCCCCCNC(=O)c1c(F)cc(F)cc1F 805220507 URTOGWIXEGSPMP-UHFFFAOYSA-N 285.309 3.970 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)C[C@H]1C 294337456 LCTKPUMLEOPRND-CKEIUWERSA-N 284.403 3.589 30 20 CHED C#CCCc1noc(-c2nc(C)sc2-c2ccccc2)n1 809396813 FJRCWSDBVBQLHN-UHFFFAOYSA-N 295.367 3.734 30 20 CHED C#CCOc1cccc(-c2noc([C@](C)(C=C)CC)n2)c1 809342073 BVIDMRRGBRPWPJ-QGZVFWFLSA-N 282.343 3.602 30 20 CHED COc1cc(Cl)ccc1CSc1cc(C#N)ccn1 475982773 JSMOGYIFEKDFPG-UHFFFAOYSA-N 290.775 3.908 30 20 CHED N#CCc1ccc(COc2ccc3c(c2)C(=O)CCC3)cc1 399285921 YZQFFGKQQOAISG-UHFFFAOYSA-N 291.350 3.851 30 20 CHED N#CCCSCc1cc(Br)cc(F)c1F 566323228 HFAXPPQARKXVKN-UHFFFAOYSA-N 292.148 3.874 30 20 CHED CCc1cccc(Cl)c1CN(C)CC(C)(C)C#N 560569822 SUJXIPKPWAREJA-UHFFFAOYSA-N 264.800 3.884 30 20 CHED C=CCCCC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 647436861 GWAOKVOMFLMQDG-OAHLLOKOSA-N 293.794 3.676 30 20 CHED CCCOc1ccc(/C=C/c2ccncc2C#N)cc1 561307658 ZBLHISHTQBQRQR-ZZXKWVIFSA-N 264.328 3.912 30 20 CHED C#Cc1ccc(CNc2cc(OC)c(C)cc2C)cc1 809658045 BIVCWUTYSKAQCB-UHFFFAOYSA-N 265.356 3.905 30 20 CHED Cc1csc(C(=O)N[C@](C)(C#N)CCc2ccccc2)c1 294774636 ZJQWCFRIRHVFOP-KRWDZBQOSA-N 298.411 3.701 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2ncco2)c1 293627016 TWVZGNMAJJHEDA-UHFFFAOYSA-N 270.332 3.882 30 20 CHED COc1ccc2cc(CN(C)[C@@H]3CC[C@@H](C#N)C3)ccc2c1 293508091 OCSGNQLYMMUIMQ-RDTXWAMCSA-N 294.398 3.972 30 20 CHED C=CCN(Cc1occc1C(=O)O)CC1CCCCC1 563277502 MYNZYBHRKAYSFF-UHFFFAOYSA-N 277.364 3.546 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@@H](C)CCCC)c1ccccc1 812181235 JKUQABMKKQSKDH-RDJZCZTQSA-N 286.419 3.971 30 20 CHED CCCO[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)CC1 487879147 WEYIJKHXEPLUQS-SFHVURJKSA-N 286.419 3.648 30 20 CHED Cc1c(C(=O)OCc2ccccc2C#N)ccn1C(C)C 815315128 ULZRUFGZDMTDON-UHFFFAOYSA-N 282.343 3.606 30 20 CHED CC(C)CCC=NNc1ccnc(Br)c1 814904757 XKZGHWVGOGHGAK-UHFFFAOYSA-N 270.174 3.678 30 20 CHED CCC[C@@H](C#N)NC(=O)c1coc2ccc(C(C)C)cc12 561097754 LCGWURURCBYQPF-ZDUSSCGKSA-N 284.359 3.978 30 20 CHED C#CCC1(C(=O)N2CC(C)(C)[C@H]2C(C)C)CCCCC1 817218947 NMKOHOJEFXRAGD-OAHLLOKOSA-N 275.436 3.853 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CCc2ccc(C)s2)n1 810520080 RDNDREKVLZAPEK-LBPRGKRZSA-N 290.413 3.631 30 20 CHED FC(F)(F)c1ccc(NN=C2COc3ccccc32)cc1 814881913 AUTIENRGGNUOQW-UHFFFAOYSA-N 292.260 3.914 30 20 CHED C[C@H](c1ccccc1)N(Cc1ccc(C#N)cn1)C1CC1 577646698 TWKNUHUFFWAUAO-CQSZACIVSA-N 277.371 3.679 30 20 CHED O=C1/C(=C/c2ccc3ncccc3c2)Cc2c(O)cccc21 810248827 FGXYTQRUVSYPDI-GXDHUFHOSA-N 287.318 3.763 30 20 CHED Clc1cccc(NN=C2Cc3[nH]c4ccccc4c3C2)n1 814939354 NWFSRTRJKZPMJF-UHFFFAOYSA-N 296.761 3.783 30 20 CHED C=CCC1(CNC[C@@H](O)c2ccc(F)cc2)CCCC1 819355040 KCLKFBWTFUUKAE-MRXNPFEDSA-N 277.383 3.585 30 20 CHED N#CCC1(COC(=O)/C(F)=C\C2CCCCC2)CC1 815964301 DKYVWEONJZADLK-JLHYYAGUSA-N 265.328 3.657 30 20 CHED CCCCCCCCC(=O)N1CCCN(C)C[C@H]1CC 816484027 NJDBMQUHHCUQSN-MRXNPFEDSA-N 282.472 3.680 30 20 CHED CCCCCCCCNC(=O)N1CCC(C)(OCC)CC1 813695154 MIBAZMKXXMTPJG-UHFFFAOYSA-N 298.471 3.948 30 20 CHED CCOc1ccc(NN=C(C)c2ccccc2C#N)cc1 814985086 RADUYFQZMKJGIY-UHFFFAOYSA-N 279.343 3.793 30 20 CHED CC[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C(C)C 571614621 WIAQGFVIHCXGRZ-CYBMUJFWSA-N 289.427 3.503 30 20 CHED CCC(C)=NNc1ccc(Br)cc1C 728433114 SENGOSYVNQPWRM-UHFFFAOYSA-N 255.159 3.955 30 20 CHED C=CCCCCOC(=O)c1cccc([C@@H]2CCOC2)c1 811014055 ORIWRGWDZHLULR-MRXNPFEDSA-N 274.360 3.704 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccco2)nc1C 488868551 OUHOGZAOCKSSFD-CQSZACIVSA-N 296.370 3.831 30 20 CHED C[C@H](NC(=O)CCCC#N)c1csc2ccccc12 812502933 RCMRQRBWGONPMW-NSHDSACASA-N 272.373 3.772 30 20 CHED C=CCC1(NCC2CCC(C)(C)CC2)CCOCC1 657633852 ZSVTVYRNPGBNJW-UHFFFAOYSA-N 265.441 3.918 30 20 CHED C=C(C)CN(C)Cc1cn(C)nc1-c1ccccc1Cl 497134434 WEOJWIODURYQNV-UHFFFAOYSA-N 289.810 3.748 30 20 CHED CCCCCCCCOC(=O)c1cnc(N)c(Cl)c1 728630895 YKIMCAHYALFIMJ-UHFFFAOYSA-N 284.787 3.835 30 20 CHED C#CC[C@@H](NC(=O)C1CCC=CCC1)c1ccccc1 821339790 IHHZTBGBEMYLIX-QGZVFWFLSA-N 267.372 3.614 30 20 CHED CC(C)C#CC(=O)N(C)Cc1ccccc1-c1ccccc1 825241446 SGUOBNZVODPTRA-UHFFFAOYSA-N 291.394 3.971 30 20 CHED C=C(C)CN(C)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 497832538 QCQQIPIYSNYRJL-VXGBXAGGSA-N 292.345 3.573 30 20 CHED Cc1cc(N2CCCC[C@@H]2C)ccc1NCCC#N 575982274 ODUBWWXXWLSIFA-AWEZNQCLSA-N 257.381 3.699 30 20 CHED C[C@H](OC(=O)C=C1CCCC1)c1cccc(C#N)c1 727636070 RDTDRBXIERMXLR-LBPRGKRZSA-N 255.317 3.663 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1csc(CC)n1 664083245 IRXIXNVMCYDFLY-LLVKDONJSA-N 295.452 3.811 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 491623020 FOOWWFAKFIMZAD-OLZOCXBDSA-N 298.361 3.703 30 20 CHED C#Cc1cccc(CN[C@H]2CCCc3cc(OC)ccc32)c1 825227539 ULPGJMIKBMSRMQ-FQEVSTJZSA-N 291.394 3.844 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)C[C@@H](O)c1ccco1 824057276 DGGKTQHIKFKXFR-SOUVJXGZSA-N 265.397 3.816 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)[C@@H](C)C1CCCCC1 499992518 NQSISSQVXJBSCJ-OLZOCXBDSA-N 264.413 3.647 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1[C@H]2C=CC[C@H]1CC2 665901331 WPGILYWDUOLKGY-BZSNNMDCSA-N 296.414 3.676 30 20 CHED C=CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 730859637 UUWDESOJLGTOTJ-UHFFFAOYSA-N 297.232 3.703 30 20 CHED CC[C@H](N[C@H](CC)[C@@H]1CCCO1)c1cccc(C#N)c1 902888352 SMFALUJZDKBQDY-BBWFWOEESA-N 272.392 3.557 30 20 CHED Oc1cccc(/C=N\CCc2ccc(F)cc2Cl)c1O 733205543 YZNRWTYXTGHTPU-NVMNQCDNSA-N 293.725 3.552 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cccc(C#N)c1 739423947 GMYCPUDXDNWQDS-VURMDHGXSA-N 292.294 3.671 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(Br)cc1O 834902974 MQNKAYAZOLSPAX-SNVBAGLBSA-N 284.197 3.772 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] 836785136 MYKUMDCVARDGIM-SNVBAGLBSA-N 296.754 3.641 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)CCCCCC#N)C1 588158729 CYYRCLZVJBPZJV-UONOGXRCSA-N 250.386 3.545 30 20 CHED CCCCN(C(=O)c1ccc(C=NOC)cc1)[C@@H](C)CC 732094262 FMABSKWWJWZDJS-AWEZNQCLSA-N 290.407 3.708 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](C2CC2)C1 673561124 ZUAPWSGZYXHQFG-DZGCQCFKSA-N 264.413 3.563 30 20 CHED C=CC[C@@H](C)NC(=O)C(F)(F)c1cccc(Cl)c1 735066066 JVBTWUSKFQIOGF-SECBINFHSA-N 273.710 3.513 30 20 CHED C[C@H]1CC[C@H](NC(=O)c2ccccc2SCC#N)CC1 731021594 JNMVHGZITCSWTH-JOCQHMNTSA-N 288.416 3.611 30 20 CHED C=CCC1(C(=O)N[C@H](CC)C(=O)c2ccccc2)CCC1 831596507 TYNGXHOXULJYBG-OAHLLOKOSA-N 285.387 3.511 30 20 CHED COCCN(CC#Cc1cccc(Cl)c1)C1CCCC1 676557285 PWADBMDMMLHVAU-UHFFFAOYSA-N 291.822 3.583 30 20 CHED C=C(CNC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1 673341721 PJQBCLNVKFVIGL-UHFFFAOYSA-N 294.329 3.750 30 20 CHED CCCCNN=Cc1ccccc1OCc1ccccc1 915966480 UCIJGRARRAOOQX-UHFFFAOYSA-N 282.387 3.989 30 20 CHED C[C@@H]1CC=C(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CC1 835075922 AVHRJICILDFIDD-DGCLKSJQSA-N 280.327 3.750 30 20 CHED C=CCN(C(=S)Nc1ccc(C)c(C)c1)C(C)C 917589411 WXWJBWCCSIMDBF-UHFFFAOYSA-N 262.422 3.897 30 20 CHED C#Cc1cccc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)c1 917004233 QCJACVDUGNKCIL-UHFFFAOYSA-N 289.378 3.955 30 20 CHED C#CCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 917065598 DXEXUNWSJPDDNE-CYBMUJFWSA-N 254.160 3.764 30 20 CHED CCCC(C)(C)C(=O)Nc1cc(C#N)ccc1OCC 593038719 GKIGTTOJACXJOF-UHFFFAOYSA-N 274.364 3.722 30 20 CHED CC/C(=C\C(=O)N[C@H](C#N)C(C)C)c1cccc(Cl)c1 744508624 CWALFARKGVQQTH-SAAWKEMMSA-N 290.794 3.798 30 20 CHED CCc1ccc(C(C)=NNc2cccc(C(=O)O)c2)s1 744555122 CQUXOYHYTDPRQK-UHFFFAOYSA-N 288.372 3.845 30 20 CHED COCc1ccccc1/C=C(\C)CN1CCC[C@](C)(C#N)C1 590362459 KOZLSFGIMRLEBH-KZIRBZLESA-N 298.430 3.862 30 20 CHED Cc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 596619610 LDWPOYIMYFMLAK-UHFFFAOYSA-N 256.349 3.798 30 20 CHED C=CCN(C(=O)c1cccc2ccc(C)nc12)C(C)C 741211354 JHUVGPGAPUCFAK-UHFFFAOYSA-N 268.360 3.580 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(CC)CCSC 592413992 FQTZTQCBEKNXSL-CYBMUJFWSA-N 296.484 3.557 30 20 CHED CC1(CSCc2ccccc2C(C)(C)C#N)COC1 596415096 LYKGAGIXWPBQEB-UHFFFAOYSA-N 275.417 3.757 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@](C)(C#N)C(C)(C)C)cc1C 598823684 ICCCQLLVJOAMQX-FRQCXROJSA-N 298.430 3.852 30 20 CHED C=CCCSCCNC(=O)CC/C=C\c1ccccc1 597967940 JJOUQVFUZHJBID-XFFZJAGNSA-N 289.444 3.906 30 20 CHED CCCCCCCCC(=O)N1CCC(CN(C)C)CC1 918695670 NTOCIEMVBVCPCG-UHFFFAOYSA-N 282.472 3.537 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccco1 842940531 GBYWXSSASSTVQC-MWLCHTKSSA-N 286.356 3.593 30 20 CHED CC#CCOC(=O)c1ccc(-c2ccc(C)cc2)cc1F 744976766 VPFBJUNOCKAJQZ-UHFFFAOYSA-N 282.314 3.981 30 20 CHED C#CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)CC)cc1 741570934 UDUVCTVKZUHVNG-MAUKXSAKSA-N 299.414 3.739 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)o1 745611794 JCQFEESTVZAIJC-JQWIXIFHSA-N 298.346 3.832 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1ccc(F)c(F)c1 596909318 USRHLOKEZAGCEJ-UHFFFAOYSA-N 292.329 3.792 30 20 CHED COc1ccc([C@@H]2CCN([C@H](C#N)c3ccccc3)C2)cc1 595300174 AVVAXUQPXKAJET-IEBWSBKVSA-N 292.382 3.749 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(C)ccc1F)C2 747439975 HIRUZDUVDOQOCC-NTEUORMPSA-N 282.314 3.965 30 20 CHED C=C(C)CCOC(=O)CCCOc1cccc(C)c1 744304084 CWYYUDSICIZDGR-UHFFFAOYSA-N 262.349 3.663 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 596744294 QMOCSVVEJYZQLS-PIIMJCKOSA-N 296.414 3.733 30 20 CHED CCC[C@H](C(=O)N(C)[C@H](C)CC#N)c1cccc(Cl)c1 599329791 RKHRLCWOOMHPIZ-DOMZBBRYSA-N 292.810 3.984 30 20 CHED C[C@H](NC(=O)C1[C@H]2CCCCCC[C@H]12)c1cccc(C#N)c1 597318485 ATSDTDKIAXSNLR-JQFCIGGWSA-N 296.414 3.952 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(CCc2ccc(C#N)cc2)C1 595437362 FYNSQHWTFBDRGF-HNAYVOBHSA-N 291.398 3.579 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1(C)CCCCC1 593965725 KTIWAOBPRXKTBL-CQSZACIVSA-N 284.403 3.576 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)NCCc1ccc(C#N)cc1 595640455 NAYNKUOHAGENOH-HNNXBMFYSA-N 299.418 3.535 30 20 CHED Cc1cncc(CCS[C@H](C)c2cccc(C#N)c2)n1 593193631 ZAJGVQDSHCMZMS-CYBMUJFWSA-N 283.400 3.694 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(C)c1 594173015 FRBSOJPSKGKAEK-ZDUSSCGKSA-N 250.729 3.527 30 20 CHED C=CCCCC(=O)O[C@H](CC)C(=O)c1ccc(OC)cc1 748236634 XLBBBPOFZAVBCN-OAHLLOKOSA-N 290.359 3.556 30 20 CHED CC(C)CC=NNc1ccc(Cl)cc1[N+](=O)[O-] 915976701 XXFCKBKJNPMYKA-UHFFFAOYSA-N 255.705 3.692 30 20 CHED CC/C(=C\C(=O)O[C@H](C)C#N)c1cccc(Cl)c1 745753520 KPOUHJWLZDSFEN-MXBGMFSPSA-N 263.724 3.589 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@H](CC#N)C1 595613202 ARSSHTZIXCBDGN-OAHLLOKOSA-N 281.403 3.613 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@H]([C@@H]2CCCCO2)C1 595788431 NUJLEDMOMWDMHC-MNEFBYGVSA-N 298.430 3.900 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)c1ccccc1SCC#N 742720260 SYVUKHPREWTEPC-QWHCGFSZSA-N 290.432 3.857 30 20 CHED C=CCCC(=NNc1oc(C(C)(C)C)nc1C#N)C1CC1 747753383 FTQLKXFKCUAJLK-UHFFFAOYSA-N 286.379 3.988 30 20 CHED C=CCc1cc(OCC)cc(CN2C[C@H](C)C[C@@H]2C)c1O 740861063 UJKNUFABAVTXAE-KGLIPLIRSA-N 289.419 3.750 30 20 CHED C#CCOc1ccc(NC(=O)N(C2CCCC2)C2CC2)cc1 746723615 FHRBFSLYUCATKO-UHFFFAOYSA-N 298.386 3.638 30 20 CHED C[C@H](C#N)COC(=O)CCc1c(Cl)cccc1Cl 847665828 SBWXFQMMBGSSQU-SECBINFHSA-N 286.158 3.629 30 20 CHED Cc1ccoc1C=NNc1ccc(Br)cc1F 743439366 YPWJEHDEWSVHQU-UHFFFAOYSA-N 297.127 3.936 30 20 CHED N#CC1(CCOc2ccc(C=O)c(F)c2)CCCCC1 844765881 UZDCXNDMHGLJQP-UHFFFAOYSA-N 275.323 3.881 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@H]3CCC[C@@H]32)c1 741864721 NRTWSQYFOQPRMB-ZBFHGGJFSA-N 284.428 3.629 30 20 CHED C#CCCOc1ccc(C=NNc2ccc(C)cc2)cc1 920356526 MVDLGLUBOSXZKH-UHFFFAOYSA-N 278.355 3.843 30 20 CHED CC1(C)C(=NNCc2cccc(Cl)c2)[C@H]2CCCO[C@H]21 756826981 HSHILUBDCGBHAU-UKRRQHHQSA-N 292.810 3.621 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)ccc2O)cc1F 757467593 GVTNDEXTUYMOHC-DAXSKMNVSA-N 286.302 3.744 30 20 CHED C[C@H](N[C@@H]1CCCc2cccnc21)c1ccc(C#N)c(F)c1 927061719 QUVZFUADPZHVLJ-YVEFUNNKSA-N 295.361 3.821 30 20 CHED C#CCCCC(=O)Nc1cc(Cl)c(F)c(Cl)c1 758073779 QQODCMXWPMTFEU-UHFFFAOYSA-N 274.122 3.875 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccccc1O[C@H]1CCOC1 925910622 WVYXWVBUHURUCZ-KBPBESRZSA-N 288.391 3.595 30 20 CHED C#CCCCN[C@@H](C)c1ccc2cc(OC)c(OC)cc2c1 850437957 BGMYBQXDDDLMSN-AWEZNQCLSA-N 297.398 3.921 30 20 CHED C[C@@H]1CCC[C@@H](N2CCC(=NO[C@@H]3CCCCO3)CC2)C1 755822157 GIJQNNPKNCSOSM-DJIMGWMZSA-N 294.439 3.560 30 20 CHED C[C@H]1CCCCN1N=Cc1c[nH]c2ccc(F)cc12 853379030 BWRJBLPXOFEOKL-NSHDSACASA-N 259.328 3.515 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(C)cc1C 853002877 XXYKCJFEBDHKAL-VURMDHGXSA-N 268.360 3.806 30 20 CHED CCOc1ccc(O)c(C=Nc2cccc(F)c2F)c1 921261391 NHTCTOCCOXFZJO-UHFFFAOYSA-N 277.270 3.820 30 20 CHED C#CC[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 757599301 UJJHRMGQOXMYHB-QGZVFWFLSA-N 297.785 3.763 30 20 CHED C=CCCCOC(=O)c1c(F)ccc(F)c1Cl 856970362 GJIOBRQRYBYVMV-UHFFFAOYSA-N 260.667 3.741 30 20 CHED CCOc1cc(/C=C2/Cc3cc(C)ccc3C2=O)ccc1O 921264360 SGTLJXUNJCIGND-DHDCSXOGSA-N 294.350 3.922 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H](CC)C1)c1ccccc1 757063568 CZOAUQAPRHJAIP-RDJZCZTQSA-N 284.403 3.583 30 20 CHED Cc1cccc(C)c1COC(=O)c1cc(C#N)cs1 752585658 BHGGMAMWLSPLRN-UHFFFAOYSA-N 271.341 3.594 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 754869225 SUTKUGTVARUCGS-XHSDSOJGSA-N 296.455 3.604 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc2c(c1)OCCO2 750895051 CZRPWFSDXDKUCE-UTCJRWHESA-N 298.313 3.801 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=CC1CCOCC1 755814168 KKZLGWOUYJMZCT-UHFFFAOYSA-N 290.260 3.669 30 20 CHED CCn1cc(C(=O)/C=C\c2cccc(C(C)C)c2)cn1 853004082 FYSMHSJKFAMUOE-HJWRWDBZSA-N 268.360 3.923 30 20 CHED C=CCc1cc(OC)cc(CN(CC)C2CCC2)c1O 754732823 UYHJXNYULBVSIE-UHFFFAOYSA-N 275.392 3.504 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(F)cc1N(C)C 759201287 GTNSAHKMMSQROE-UHFFFAOYSA-N 296.349 3.599 30 20 CHED C#CCCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@@H](C)CC 758089894 YJGYDHOSZCYYGE-SUMWQHHRSA-N 297.402 3.570 30 20 CHED N#CCC1(COC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 756565859 BJVRIXQOHNUWHQ-RBSFLKMASA-N 275.392 3.830 30 20 CHED Cc1cc(F)ccc1NN=Cc1csc([N+](=O)[O-])c1 750944767 AHBCXGLRXALWBB-UHFFFAOYSA-N 279.296 3.550 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)OCCCCC#N 758879617 DDIHEUXUHPGOPS-ZRDIBKRKSA-N 277.751 3.980 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCc2ccccc2O)n1 767182919 NMYQOASDWHRBBU-UHFFFAOYSA-N 281.359 3.568 30 20 CHED C#CCCCN1CCC(Oc2ccccc2Cl)CC1 766936357 YBNJDLBYBPKDOG-UHFFFAOYSA-N 277.795 3.597 30 20 CHED CCO[C@H]1CC(=NNc2cccc(C)n2)C12CCCC2 863160186 UISDIKOEUMQPKZ-AWEZNQCLSA-N 273.380 3.527 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2nc(O)c3ccccc3n2)C1 768365729 BRBSWBIFPKKQKF-NEPJUHHUSA-N 284.363 3.559 30 20 CHED CCC[C@@H](C#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 765358173 DQDQCYIFIRIYBU-LOACHALJSA-N 276.424 3.958 30 20 CHED CC(=NNc1cnn(C)c1)c1cc2cc(C)c(C)cc2o1 761865790 NJWRFIXBOAAANY-UHFFFAOYSA-N 282.347 3.619 30 20 CHED C#CCN(CC)Cc1cnc(-c2ccc(C)cc2)s1 769112028 WIPMUCPBBITWSC-UHFFFAOYSA-N 270.401 3.574 30 20 CHED C#CCCCN[C@H](CC)c1cccc(Cl)c1F 763538753 NFDDUGNZYFTYST-CYBMUJFWSA-N 253.748 3.933 30 20 CHED Cc1cc2cc(C=NOCC(F)(F)F)oc2cc1C 764847995 YAWUFIOLMIVCKY-UHFFFAOYSA-N 271.238 3.962 30 20 CHED C#CCCSc1nnc2c3ccccc3n(CCC)c2n1 763303319 IWPNOUOFCKVXCR-UHFFFAOYSA-N 296.399 3.505 30 20 CHED COc1cc(F)cc(NN=C2C[C@@H](OC(C)C)C2(C)C)c1 764908109 IVPZNQHYJWCEJV-OAHLLOKOSA-N 294.370 3.826 30 20 CHED CC#CCCOC(=O)[C@@H](C)CSCc1ccccc1 760290262 WKTTULBJGCMHOJ-AWEZNQCLSA-N 276.401 3.513 30 20 CHED Cc1cc(/C=C2\Cc3c(O)cccc3C2=O)cnc1Cl 760261468 CVNGBILYZZOSBM-IZZDOVSWSA-N 285.730 3.571 30 20 CHED O=C1/C(=C/c2csnn2)CCc2c1sc1ccccc21 763101768 RDVIBSIVFCHVPQ-VQHVLOKHSA-N 298.392 3.965 30 20 CHED C#CCCCN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 766902388 HXPAIZRZGLHBKF-ZWKOTPCHSA-N 255.405 3.976 30 20 CHED C#CCCCN1CCCC[C@@H]1c1ccccc1OC 766900934 OVYMRGJIPIKZFW-MRXNPFEDSA-N 257.377 3.636 30 20 CHED Cc1cc(C)cc(C(=O)OCc2ccc(CC#N)cc2)c1 776113621 HACSBYYZVAAYTQ-UHFFFAOYSA-N 279.339 3.727 30 20 CHED C#CCCCCCCN[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 877474864 ICZBBNQZRSFYGI-KBPBESRZSA-N 276.428 3.553 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCCc2sccc21 879505791 JACRYJJDFYGEJL-LBPRGKRZSA-N 263.406 3.844 30 20 CHED CCCC(CC)=NNc1ccc(OC)cc1[N+](=O)[O-] 776187389 GIPJLBCKUITHEB-UHFFFAOYSA-N 265.313 3.581 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1cnccc1C 771392355 VZYGQRXPFNGYNM-AWEZNQCLSA-N 262.397 3.928 30 20 CHED C#CCCN[C@H](c1ccc(F)cc1F)C(C)(C)C 775542446 LNGKVCCIXLNYSC-CQSZACIVSA-N 251.320 3.665 30 20 CHED CCN(CCCOc1ccc(Cl)cc1)C[C@H](C)C#N 64248763 NQWLUGLQCNBZNT-CYBMUJFWSA-N 280.799 3.590 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)OCCC(C)(C)C#N 776379094 LIDQZGDOIXDHGF-QWHCGFSZSA-N 251.370 3.686 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)c1ccc(F)cc1F 779742290 RAHXKSJSQPFCRP-LBPRGKRZSA-N 279.330 3.726 30 20 CHED C#CCN(CC)Cc1nc(-c2c(F)cccc2F)cs1 775609784 WOPDPCCOCBFSNQ-UHFFFAOYSA-N 292.354 3.543 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H](C)C(CC)CC 775948302 OVBYGNGHTOEHAI-CYBMUJFWSA-N 273.376 3.709 30 20 CHED CC1(C)CCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1 773986554 CFMREAOUANVLGJ-RYUDHWBXSA-N 282.343 3.830 30 20 CHED C=CCc1cc(CNC[C@@H](C)CC)cc(OC)c1OC 771833394 WTKFHYCSLCHXQS-ZDUSSCGKSA-N 277.408 3.568 30 20 CHED C=CC(C)(C)CC(=O)NC1(Cc2ccc(F)cc2)CC1 880227797 WYKPWZYYYMBRNM-UHFFFAOYSA-N 275.367 3.619 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc3cnccc3c2)c1 782119716 MJIKRSLGVDEMLA-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C#CC[C@H](NCc1ncc(CC)s1)c1ccccc1 784586915 BBRWWTZLJSWEDJ-HNNXBMFYSA-N 270.401 3.560 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(OC)c(SC)c1 880267709 VKDWTQRKMQCBMG-UHFFFAOYSA-N 279.405 3.958 30 20 CHED Cc1cc(F)c(F)cc1OCc1ccc(F)cc1C#N 789658294 FKVPQFKLXHLEKM-UHFFFAOYSA-N 277.245 3.863 30 20 CHED C#CCN(CC)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 782340508 JDTDKXVYRUSGGF-UHFFFAOYSA-N 291.822 3.781 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCCc3cn(C(C)C)nc32)n1 785846387 YOSGRLBGTYNDRS-OAHLLOKOSA-N 295.390 3.529 30 20 CHED C=C(C)CCC(=O)Nc1ccc2ccn(CCOC)c2c1 1120627944 DJGNUPVIDVSJSD-UHFFFAOYSA-N 286.375 3.583 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1ccccc1Cl 782611891 VGCMMLKEDVJIEH-UHFFFAOYSA-N 279.767 3.756 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc2cc(C)ccc2o1 787089341 GNHVTTPYJGJKAM-LBPRGKRZSA-N 257.289 3.590 30 20 CHED C=C1CCC(C(=O)N(C)c2ccc(C(C)=O)cc2)CC1 893223660 WJNKWEKVLGLKPN-UHFFFAOYSA-N 271.360 3.598 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)c1)c1ccc(Cl)cn1 781720494 FIYMJTQZRZHLSY-SNVBAGLBSA-N 286.718 3.525 30 20 CHED CC(C)N(CCC#N)Cc1cccc(Oc2ccccn2)c1 891695294 WXNZSTBCCUQJSO-UHFFFAOYSA-N 295.386 3.998 30 20 CHED C[C@@H](OC(=O)[C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 781800994 JHMHISGRFPMWLQ-DOMZBBRYSA-N 271.360 3.989 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cccc(-c2cccs2)c1 789833932 BXSBLZHKKHAWPH-LLVKDONJSA-N 270.357 3.558 30 20 CHED N#Cc1ccc(C(=O)OCc2cc(Cl)ccc2Cl)[nH]1 783434088 HPBKBHYTCQZEQP-UHFFFAOYSA-N 295.125 3.550 30 20 CHED N#CC[C@@H](CC(=O)OCC1(C#N)CCCC1)c1ccccc1 796823184 IOJMWZCIXIITQH-INIZCTEOSA-N 296.370 3.701 30 20 CHED C=CCN(C(=O)c1ccc(Oc2ccccc2)cn1)C(C)C 799307508 OEFYCVBWYIWBMJ-UHFFFAOYSA-N 296.370 3.911 30 20 CHED C=CC[C@H](NC(=O)c1sccc1Cl)c1ccncc1 796483055 PPJBLFVPTKYKLW-LBPRGKRZSA-N 292.791 3.844 30 20 CHED C=CCN(C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C)C(C)C 797542079 LCVNVYKXAMLUIT-KKUMJFAQSA-N 266.429 3.665 30 20 CHED CC(C)Cc1ccc(CNc2n[nH]c(C3CC3)c2C#N)cc1 1202731084 DIGLYBFXBFASDH-UHFFFAOYSA-N 294.402 3.969 30 20 CHED C=CCC(C)(C)C(=O)Oc1cccc(NC(=O)C2CC2)c1 796765258 WWBQBYIQKMEXAR-UHFFFAOYSA-N 287.359 3.543 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2cccc(C#N)n2)c1C 1204250826 UFOSJRRSBJSDTD-IBGZPJMESA-N 291.398 3.907 30 20 CHED O=C1/C(=C/c2ccccc2F)CCc2ccc(O)cc21 794960671 WCHGIWCMDZQOKV-UKTHLTGXSA-N 268.287 3.744 30 20 CHED CC[C@H](C)CCC(=O)OCc1ccc(C#N)cc1C 797165581 ANBMMHOESRNPIY-LBPRGKRZSA-N 259.349 3.736 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(N3CCCC3)c(F)c2)C1 799721390 DSTWDKDOLWUMBX-STQMWFEESA-N 273.355 3.530 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1cc(Cl)ccc1OC 798376187 SUDJVOHRFZHCPR-LLVKDONJSA-N 298.839 3.990 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1cc3ccccc3s1)C2=O 794962615 SCZJWUABOLUIQL-XFXZXTDPSA-N 294.379 3.847 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC(c3ccccc3)C2)n1 1149986958 WISBCIOFTRYUSL-UHFFFAOYSA-N 291.398 3.855 30 20 CHED N#Cc1ccnc(COc2cccc(C(F)(F)F)c2)c1 1656048320 SKPJIGVDVVLPIX-UHFFFAOYSA-N 278.233 3.551 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)OC1CCCCC1 1318646999 LIJAOKZSFGRBDQ-OAHLLOKOSA-N 281.440 3.929 30 20 CHED N#Cc1ccc(COC(=O)CC(C2CC2)C2CC2)c(F)c1 1324344675 NTSBDNYJTMDHDB-UHFFFAOYSA-N 287.334 3.567 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)n(CC2CC2)c1C 1320934491 CMCTWROAGGELOV-INIZCTEOSA-N 286.419 3.696 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 1662637538 IQVFNKJSDQIWFW-IUODEOHRSA-N 271.364 3.567 30 20 CHED CC[C@H]1CCC[C@@H]1c1nnc(-c2ccc(C#N)cc2)o1 1327355748 XYYGAVBJDAVPPZ-JSGCOSHPSA-N 267.332 3.902 30 20 CHED Cn1ccc(NN=Cc2cc(-c3ccccc3)cs2)n1 1324493333 QYYOZKJQRXCRJR-UHFFFAOYSA-N 282.372 3.595 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(-c2ccccc2)s1 1322331970 GAXAGRZUQDSZCB-CYBMUJFWSA-N 284.384 3.837 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1coc(-c2ccccc2)n1 1329140634 HTMHNDQMVOWNSA-UHFFFAOYSA-N 298.386 3.603 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1cccc(OC(F)F)c1 1335725851 XFYCSVUIGWYPLJ-LLVKDONJSA-N 283.318 3.822 30 20 CHED C=C(C)CCC(=O)Nc1ccc2oc(CC)nc2c1 1335742752 LSZZODDBSVSALH-UHFFFAOYSA-N 258.321 3.685 30 20 CHED C=CCCCc1nc(-c2ccc(C(C)(C)C)nc2O)no1 1338385085 JLGXWWHWYTUCLM-UHFFFAOYSA-N 287.363 3.643 30 20 CHED CC[C@H](C#N)OC(=O)c1nc(-c2ccccc2)oc1C(C)C 1338536336 NMNCFGIOCVEMIF-CYBMUJFWSA-N 298.342 3.924 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(-c2cccs2)s1 1344616286 FTNSEWGVJRNZSH-UHFFFAOYSA-N 277.370 3.936 30 20 CHED Cn1ccc(NN=C2CCCC[C@@H]2C2=CCCCC2)n1 1261236545 NABMWRLYZSKUIC-CQSZACIVSA-N 272.396 3.879 30 20 CHED N#Cc1ccc(NC(=S)N[C@H]2C=CCCC2)cc1Cl 1340250200 PFYVRPJWZMCBQA-NSHDSACASA-N 291.807 3.607 30 20 CHED C#Cc1ccc(COC(=O)C[C@H](C)c2c(C)noc2C)cc1 1343502466 JDMSNHXHABSMJG-LBPRGKRZSA-N 297.354 3.510 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccsc1 1263640848 XTTJDZPFMFJOKN-GFCCVEGCSA-N 250.367 3.711 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1sc(C(C)(C)C)nc1C 1342734491 XVZKIXZGOXJDJI-CMPLNLGQSA-N 282.453 3.601 30 20 CHED CC(C)(C#N)CNc1cc(C(F)(F)F)c(F)cc1C#N 1354158430 ZAGPVLXAIOLOKE-UHFFFAOYSA-N 285.244 3.678 30 20 CHED CCC[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 1353847319 CNXDWQNTJHVCRI-RHSMWYFYSA-N 284.403 3.528 30 20 CHED N#C[C@H]1CCC[C@@]2(C1)N=C(C13CC4CC(CC(C4)C1)C3)NO2 1350106883 VOZZXUIJYNHWBM-HNKBXDFJSA-N 299.418 3.546 30 20 CHED C=C1CCC(C(=O)Nc2ccc(C)nc2Cl)CC1 1350016123 RPTWSPCSRYOASA-UHFFFAOYSA-N 264.756 3.728 30 20 CHED CCc1ccc2ccccc2c1CNC(=O)[C@](C)(C#N)CC 1439153073 ZVKZMOJJIFIRPO-IBGZPJMESA-N 294.398 3.958 30 20 CHED C[C@H]1Cc2ccccc2N(Cc2ccccc2C#N)C1 109586525 UOAHXNDKCIKKRI-AWEZNQCLSA-N 262.356 3.757 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C)n1cnc2ccccc21 1514858999 NHMVZYXGTWKFDE-CABCVRRESA-N 297.402 3.555 30 20 CHED C[C@@H](NC(=O)c1ccccc1CC#N)C1CCCCCC1 1296193228 LXTYRGOQKTZDKH-CQSZACIVSA-N 284.403 3.841 30 20 CHED CCc1ccc2c(c1)CCN(C(=O)CCCCCC#N)C2 1522584326 DHWBOXKEMNPDFE-UHFFFAOYSA-N 284.403 3.608 30 20 CHED Cc1cc(C(=O)COc2ccc(C#N)cc2F)c(C)s1 225304087 HQABVWHKJOVGBN-UHFFFAOYSA-N 289.331 3.637 30 20 CHED CC1CC(C#N)(C(=O)NCC2CC(C)(C)CC(C)(C)C2)C1 1469936605 MGCUQLKGLHCFRH-UHFFFAOYSA-N 290.451 3.895 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCSc2ccccc2)c1 1535886654 OFKGYZJIANTZNV-UHFFFAOYSA-N 296.395 3.988 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2(c3ccccc3)CCC2)c1 1535372038 VKHKVLQUFADOGL-UHFFFAOYSA-N 294.329 3.758 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)cn1 1472806202 LOKWSPUYVYIKQB-HUUCEWRRSA-N 257.381 3.972 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1c1ccncc1C#N 1472883889 KJQDMZGUFPEBLM-RHSMWYFYSA-N 277.371 3.726 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 1533139358 KIEASBUBFZPBHI-LSDHHAIUSA-N 298.386 3.916 30 20 CHED C[C@@H]1CCCC[C@]1(C)NCc1cccc(F)c1C#N 1621376446 BVLXFCUCJSZZMQ-WBMJQRKESA-N 260.356 3.756 30 20 CHED CC1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 228831414 ISBZHANHGRTVHQ-NSHDSACASA-N 282.265 3.562 30 20 CHED N#Cc1cccc(CNc2c(F)cc(F)cc2F)c1F 230055197 NQKLTOYBXFKRBJ-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C=C(Cl)CNCc1cc(Cl)cc2cccnc12 1657275330 HDPSLVOJZAFFJR-UHFFFAOYSA-N 267.159 3.730 30 20 CHED CCCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1670536618 LGWVIFQOTBNPCV-UHFFFAOYSA-N 295.342 3.882 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC2CC(C(C)(C)C)C2)C1 1776153941 XSTMPEABYJQQBT-JMLCCBQJSA-N 293.451 3.802 30 20 CHED C=CCc1cccc(CNC2(C(=O)O)CCCCCC2)c1 1776187737 NQEOHLUYIUXZBV-UHFFFAOYSA-N 287.403 3.682 30 20 CHED CC[C@@]1(C)CCCC1=NNc1ccc(F)c(C(=O)O)c1 1776063789 IHMDHQHZKIUNEA-HNNXBMFYSA-N 278.327 3.892 30 20 CHED CC(C)Oc1ccccc1NCc1ccc(C#N)o1 135186649 NYTLVYQBLOZCJI-UHFFFAOYSA-N 256.305 3.551 30 20 CHED Cc1ccc(C)c(OCCC(=O)Nc2ccc(C#N)cc2)c1 14908549 ROUMKXLDPNQJHR-UHFFFAOYSA-N 294.354 3.583 30 20 CHED N#Cc1ccc(CN(Cc2ccco2)Cc2ccco2)o1 162562284 UZTDYNVCOBVTET-UHFFFAOYSA-N 282.299 3.540 30 20 CHED Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CCC#N 160124676 BOBJAUGHEFPFPD-CYBMUJFWSA-N 294.830 3.552 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(O)c2)s1 205512838 WPEIYZUAFZMLDE-VURMDHGXSA-N 258.342 3.912 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 151973809 JGSWFVJPFBODKB-NSHDSACASA-N 267.369 3.770 30 20 CHED C=CCn1c(C)nnc1S[C@@H](C)c1ccccc1C 153905788 UQAZPDFSVCHYSI-LBPRGKRZSA-N 273.405 3.934 30 20 CHED C=CCN(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 154165055 IBWUINZTRXCWAL-UHFFFAOYSA-N 291.354 3.560 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@@H]1C 154177559 QLGBGYBUORSNFU-KBPBESRZSA-N 252.402 3.563 30 20 CHED CC1(C)CCC(C(=O)N[C@H](C#N)c2ccccc2F)CC1 157924596 MYSHJPNPBZWDNI-OAHLLOKOSA-N 288.366 3.723 30 20 CHED N#Cc1ccc(-c2nc3ccccc3n2CC(F)(F)F)o1 154817888 CUKUTSSUWIUGSR-UHFFFAOYSA-N 291.232 3.730 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cc(COC(C)(C)C)on1 186818561 IQTONWIOCKCIJT-STQMWFEESA-N 280.412 3.680 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(C)c(O)c1)c1ccccc1 510047403 HNBGMJFZRFQZST-MRXNPFEDSA-N 281.355 3.999 30 20 CHED C[C@@H](CCC#N)CNCCC1(CS(C)(=O)=O)CC1 160209789 IHSSVDDUHYMCOP-BENRWUELSA-N 272.414 1.731 30 20 CHED CCCCCCCCCCC(=O)N1CCC(C)(N)CC1 834589381 NIHLFDYHJKPZHZ-UHFFFAOYSA-N 282.472 3.857 30 20 CHED N#Cc1ccc(F)c(CN2CCC[C@H]3CCCC[C@@H]32)c1 11470483 XDAFLBJQNXQJCS-PBHICJAKSA-N 272.367 3.852 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1cccc(F)c1 20126550 RJGUBVJHSCLENP-LBPRGKRZSA-N 270.307 3.901 30 20 CHED N#CCOc1ccc(NCc2ccc(Cl)cc2F)cc1 160662893 LNASZBNGUZDOSN-UHFFFAOYSA-N 290.725 3.994 30 20 CHED C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)CC(C)(C)C1 37505888 PQAXYEWEIHNNIK-CZUORRHYSA-N 256.393 3.863 30 20 CHED N#CCN(C(=O)c1ccc2sccc2c1)C1CCCC1 268359146 CBUWZTITBCWLQR-UHFFFAOYSA-N 284.384 3.810 30 20 CHED C=C1CCN(Cc2sccc2Br)CC1 342000456 KOIBZHLKZGAKCB-UHFFFAOYSA-N 272.211 3.663 30 20 CHED CN(C(=O)CCCc1cccs1)c1cccc(C#N)c1 49064408 HBKPFZKOUQKITQ-UHFFFAOYSA-N 284.384 3.605 30 20 CHED N#C[C@@H](NC(=O)C1CCCCCC1)C1CCCCC1 53714572 DTZGLWYHPGJRAT-OAHLLOKOSA-N 262.397 3.545 30 20 CHED N#Cc1cccc(Cl)c1N[C@@H]1CCCSC1 301572682 XJVWTDFYNKCLDZ-SNVBAGLBSA-N 252.770 3.519 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H]1CCCS1 301619455 XDQNPBOJRIRTAQ-SNVBAGLBSA-N 252.770 3.519 30 20 CHED CC(C)(C)[C@H](NCc1cccc(OCC#N)c1)C1CC1 324120706 PXRKGDFSUULUCI-MRXNPFEDSA-N 272.392 3.503 30 20 CHED C=CCCC[C@H](C)NCc1cnc(C(C)(C)C)nc1 342787110 ZPBLTSJTZNYJCS-ZDUSSCGKSA-N 261.413 3.609 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccccc1SC 355831687 HPNOUNDCHCWEAK-NHYWBVRUSA-N 276.405 3.526 30 20 CHED C=CCNc1nnc(SCC2CCCCC2)s1 57804044 ATGILGZUUXMKFZ-UHFFFAOYSA-N 269.439 3.808 30 20 CHED N#Cc1cccc(C(=O)N(CC2CCCCC2)C2CC2)c1 55825749 KBFXPGKZTFERDL-UHFFFAOYSA-N 282.387 3.743 30 20 CHED Cc1nc(N[C@@H](C)CC#N)c2c3c(sc2n1)CCCC3 171365952 VVEMBGDZPQMXDJ-VIFPVBQESA-N 286.404 3.593 30 20 CHED Cc1c(C(=O)NCCCCC#N)sc2ccc(F)cc12 171499390 WOTQQZJOJDLJPM-UHFFFAOYSA-N 290.363 3.773 30 20 CHED C#CCCCCC(=O)N1CC=C(c2ccc(F)cc2)CC1 119523821 VECSMWBOFWUOMS-UHFFFAOYSA-N 285.362 3.635 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(F)cc(F)c1 104543319 VZRBJBKAYFAQIW-UHFFFAOYSA-N 294.345 3.757 30 20 CHED C[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 179769713 DRSHRGNMTFUEDW-MNOVXSKESA-N 291.782 3.864 30 20 CHED N#Cc1cccc(CN2CCSc3ccccc32)c1 58754959 YQZDJSIJSFRACY-UHFFFAOYSA-N 266.369 3.671 30 20 CHED CC(C)c1cc(C(=O)N(C)C[C@@H](C)C#N)c2ccccc2n1 67677936 WRQYKUQCMVYBOF-ZDUSSCGKSA-N 295.386 3.590 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 116863524 FNUHOKZZUGHSQY-QMMMGPOBSA-N 258.148 3.688 30 20 CHED CCN(CC)C(=O)[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 118445733 UAJCWPKZNYQYLM-QWHCGFSZSA-N 290.432 3.609 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)C1CC1 178483030 SMZVXLAPTSOQAW-VXGBXAGGSA-N 288.416 3.923 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(CC)CC1 176591916 FARFGUKJCLVFEN-UHFFFAOYSA-N 252.402 3.564 30 20 CHED N#Cc1cccnc1N(CC1CC1)C1CCCCC1 68910166 TVQJHMQKZBUGSO-UHFFFAOYSA-N 255.365 3.502 30 20 CHED C=C(C)CN1CCC(NC(=O)[C@H](C)CCCCCC)CC1 173580088 GZPGIZMKRBILMK-MRXNPFEDSA-N 294.483 3.750 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1c(C#N)cccc1C#N 302865792 YEPBOCKQMLWIHY-LBPRGKRZSA-N 279.318 3.612 30 20 CHED Cc1cc(C)c(CNc2nc(C)ccc2C#N)c(C)c1 346824765 GPURJQBMQJFYDC-UHFFFAOYSA-N 265.360 3.799 30 20 CHED C#CCCCCC(=O)NCC1(Cc2ccccc2)CCC1 119996021 CGDFIBOZQPHQNG-UHFFFAOYSA-N 283.415 3.709 30 20 CHED C[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(C#N)cc1 26120833 HRALBGPVFBBNNW-NSHDSACASA-N 296.395 3.599 30 20 CHED N#CCCCOC(=O)CCCCCc1cccs1 171770926 OAZBQUCIXXKCGK-UHFFFAOYSA-N 265.378 3.698 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1cccc(C)c1 179804843 HWHFGZUHCUGMSM-QGZVFWFLSA-N 269.388 3.852 30 20 CHED C[C@@H](NC(=O)c1coc2ccccc12)c1ccc(C#N)cc1 113023310 ZFKBIVHLRODDRF-GFCCVEGCSA-N 290.322 3.795 30 20 CHED C=CCCCC(=O)N[C@@H]1CCSc2ccccc21 175121599 OQYVIQZYPAKQDN-CYBMUJFWSA-N 261.390 3.696 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(COC)o1 119248536 AHGIAZBGXQGSAW-UHFFFAOYSA-N 298.386 3.710 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCOc2ccc(F)cc21 301409569 XFHQIIHIJXGSIM-HNNXBMFYSA-N 286.281 3.772 30 20 CHED CCCN(CC#N)CCOc1c(Cl)cccc1Cl 60565476 VKDBFNMRZRMNGE-UHFFFAOYSA-N 287.190 3.608 30 20 CHED CN(Cc1cc(F)ccc1C#N)[C@@H]1CCc2ccccc21 177261278 WCOIGQKZMCOBCR-GOSISDBHSA-N 280.346 3.817 30 20 CHED C=CCCCN1C[C@@H](CCN2CCCC2=O)c2ccccc21 177432202 JXJFKDRPKUPBSY-MRXNPFEDSA-N 298.430 3.569 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)cc(C)n1 126267467 CZDFNASDKHDKLP-UHFFFAOYSA-N 295.386 3.919 30 20 CHED N#Cc1cnc2ccccc2c1NCC1(O)CCCCCC1 301355967 MXVLSSQVBMPTMM-UHFFFAOYSA-N 295.386 3.604 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cccc2cccnc12 180627912 QXNGBQFZQOZYMO-AWEZNQCLSA-N 297.402 3.779 30 20 CHED C=CCSCCNc1ncnc2sc(CC)cc12 301067382 DJKOIRLABOGARE-UHFFFAOYSA-N 279.434 3.585 30 20 CHED C[C@H](C#N)CNc1ccnc2ccc(Br)cc12 302039716 HJPXDCKDSQBAPF-SECBINFHSA-N 290.164 3.569 30 20 CHED C=C[C@H](C)N[C@@H]1CCc2c(F)ccc(Br)c21 126900166 UCXUHMDRBSCPGJ-QPUJVOFHSA-N 284.172 3.740 30 20 CHED C=CCCCNc1cc(Cl)ccc1N1CCOCC1 77241493 NXFJUMGNPHIFNL-UHFFFAOYSA-N 280.799 3.555 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1 181978608 PUJMGSXADHPSLG-TXPKVOOTSA-N 298.430 3.762 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CCC1 188217368 NWSFZHMGYZXCQR-OAHLLOKOSA-N 287.403 3.625 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 188575358 ULJUICFFINHJAI-BFYDXBDKSA-N 281.440 3.689 30 20 CHED C#Cc1cccc(N[C@@H]2CCc3ccc(OC)cc3C2)c1 129417959 JIOBSNAHLHIIGV-GOSISDBHSA-N 277.367 3.646 30 20 CHED CC(C)C[C@@H](C)N(C)C(=O)CSc1ccc(C#N)cc1 77250652 TWIOIAHNNMSNSV-CYBMUJFWSA-N 290.432 3.543 30 20 CHED COC1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 183160953 KZPMAGNTRYAWRV-JCYILVPMSA-N 272.392 3.579 30 20 CHED C=CCCC(=O)N[C@H](CC)C(C)(C)c1ccccc1 120427372 LUXFJIMSBVDGMU-OAHLLOKOSA-N 259.393 3.825 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC(C)(C)C)cc1 410127360 LXHXHZKYHLSGLR-CQSZACIVSA-N 275.392 3.948 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccsc1 184073408 CHSMLTAKSOHMCN-SNVBAGLBSA-N 287.344 3.683 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1 124649279 IXQBZNUYQIIJBA-AWEZNQCLSA-N 290.794 3.862 30 20 CHED C=C(Cl)CSCc1nc(-c2ccccc2)no1 127452097 NTEQCCAFUHAHAU-UHFFFAOYSA-N 266.753 3.722 30 20 CHED C[C@H](CC(=O)N(CC#N)C1CCCC1)c1ccc(F)cc1 125021212 NLMTYHWWHXEYMJ-CYBMUJFWSA-N 288.366 3.614 30 20 CHED CCC[C@@H](CNCC1(C#N)CCC1)c1ccccc1 418135514 AWBUMJUZOOCOCH-INIZCTEOSA-N 256.393 3.854 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(OCC)cc1F)OCC 412905282 HBQMNEVRRUUNTD-HNNXBMFYSA-N 295.354 3.534 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1cc(F)ccc1F 211341637 ZHUMDWAAYFNWQE-YVMONPNESA-N 289.237 3.769 30 20 CHED C=C(Br)CN[C@H](c1ccccc1)C1CC1 128080092 PKSWVIQBHFAWAX-CYBMUJFWSA-N 266.182 3.636 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCc3c(F)cccc32)c1 503593247 VVMUODYKUMKLBE-GOSISDBHSA-N 280.346 3.517 30 20 CHED Cc1cc(C#N)ccc1CN[C@H]1CCCO[C@@H]1CC(C)C 186338160 GJRYMCUQQZSSSZ-ZWKOTPCHSA-N 286.419 3.550 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](c1ccccc1)C1CC1 78330080 LSPVMMLUOQGHJB-INIZCTEOSA-N 270.376 3.521 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)[C@H](C)Cc1ccsc1 186294147 PMNLEYBBECYCHD-KGLIPLIRSA-N 295.448 3.509 30 20 CHED C=CC(C)(C)C(=O)N1CCCc2c(OC(F)F)cccc21 411014499 PGJMOJLXCPXBJA-UHFFFAOYSA-N 295.329 3.779 30 20 CHED CC[C@@H](NC(=O)CSCCC#N)c1ccc(Cl)cc1 413014369 QCLYLSZRHNVDQA-CYBMUJFWSA-N 296.823 3.554 30 20 CHED C=C(C)CN(C)C(=O)c1csc2c1CC[C@H](C)C2 180428700 GYYJZRHEIJJDBH-NSHDSACASA-N 263.406 3.521 30 20 CHED N#C[C@@H](C(=O)C1CCC(C(F)(F)F)CC1)c1ccccn1 216365691 UKFVUPHLOSMIDI-HTAVTVPLSA-N 296.292 3.627 30 20 CHED CCC(C#N)(CC)C(=O)NCc1ccc(C(C)C)cc1 45047034 STRLIVXCDMUMHT-UHFFFAOYSA-N 272.392 3.756 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2cccc(C#N)c2C)cc1 509026442 KRVUXPTXCIRGBT-CQSZACIVSA-N 292.382 3.920 30 20 CHED Cc1ccc(OCCN[C@H](C)c2cccc(C#N)c2)cc1 181976831 PDGDJCNKNOSIRR-OAHLLOKOSA-N 280.371 3.596 30 20 CHED CC[C@H](NCC(C)(C)OCC1CC1)c1ccc(C#N)cc1 414249270 AGKCIVTZVKQINN-KRWDZBQOSA-N 286.419 3.804 30 20 CHED C=CCOc1cccc(NC(=O)c2cccn2C(C)C)c1 138540657 FRDVBCAYIJVIPQ-UHFFFAOYSA-N 284.359 3.886 30 20 CHED CC(C)c1csc(CN[C@H](C)c2ccc(C#N)cc2)n1 181910560 IOSQEOLQFJMIOJ-GFCCVEGCSA-N 285.416 3.989 30 20 CHED C=CCN(CC=C)[C@@H](CNc1ccc(C#N)cc1)C(C)C 507197849 XETYUZFIIHQDDJ-SFHVURJKSA-N 283.419 3.669 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C=C(CC)CC 131748905 ZHSPPIKPIZYBKY-UHFFFAOYSA-N 275.323 3.523 30 20 CHED COC[C@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 181054626 LSWIEZFWHCZGSI-QMMMGPOBSA-N 275.295 3.704 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416752663 OUUGLVYBANYBOS-ZDUSSCGKSA-N 272.392 3.843 30 20 CHED CCN(CC(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 49262482 RJUBLAMIFJFSDR-UHFFFAOYSA-N 279.771 3.721 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1cc(C)sc1C 44766646 MPVFVBLPDZEUDS-NSHDSACASA-N 278.421 3.872 30 20 CHED N#Cc1ccc(N2CC=C(c3ccc(Cl)cc3)CC2)nc1 81034433 GGFOJXPBCMDXRK-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 190087255 HZJURBFKULKUEG-LLVKDONJSA-N 268.272 3.606 30 20 CHED C=CCN(CCOC)C(=O)Nc1ccc2ccccc2c1 191882123 NAGJIOHOMFHFIT-UHFFFAOYSA-N 284.359 3.506 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCSc2ccccc21 135469088 ZICSDHLZBXTMEL-XJKSGUPXSA-N 275.417 3.942 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1[nH]c(C)cc1C 130208269 NZSJDYMJDKAORA-UHFFFAOYSA-N 286.350 3.599 30 20 CHED Cc1ccc(/C=C2/CCc3c(cnn3C)C2=O)cc1Cl 194157206 ZADZJIUFTMTKAV-GHXNOFRVSA-N 286.762 3.594 30 20 CHED C=CCCC(=O)Nc1c(F)cc(Br)cc1F 88173895 NIQANNVGQXUFFV-UHFFFAOYSA-N 290.107 3.632 30 20 CHED Cc1ccc(N=C(O)C[C@H]2CCOC2)c2cccnc12 329773187 HYEMLKFACHXMKE-GFCCVEGCSA-N 270.332 3.558 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3cc(F)ccc32)CCC1 190019867 JVJLPTPLZLLAFS-OAHLLOKOSA-N 273.351 3.676 30 20 CHED C=C(C)CNCc1ccc(N(C)c2ccccc2)nc1 512350716 UEPXFIKMJQULAK-UHFFFAOYSA-N 267.376 3.515 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@@H](N)c2ccccc21 423174709 CNQNDYIFAAJZHM-AHRSYUTCSA-N 292.426 3.908 30 20 CHED O=C(/C=C/C1=Cc2ccccc2OC1)c1sccc1O 193147316 KGBCQLHMSOLCME-AATRIKPKSA-N 284.336 3.669 30 20 CHED CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 424970097 KXCNBWCGYVDQNP-DOTOQJQBSA-N 298.430 3.725 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(OC)c(Cl)c1 424890459 YTZHPCVIYZRFGC-UHFFFAOYSA-N 295.810 3.909 30 20 CHED C=CCCN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 513201576 OOBYOOITQAWKLF-OAHLLOKOSA-N 299.336 3.573 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(N(C)C(C)C)nc2)o1 191317234 QEUCQZVBPQISIL-RMKNXTFCSA-N 298.386 3.978 30 20 CHED C=CCCCCCn1ccnc1[C@@H](O)c1ccc(F)cc1 195423829 RULDIFCYJLVEAS-INIZCTEOSA-N 288.366 3.850 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1C=CCCC1 425136407 WUYVWILNTYBEMC-LSDHHAIUSA-N 282.387 3.824 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(C2CCCCC2)n1 161791491 AXAYZFRPARCJHM-LBPRGKRZSA-N 277.437 3.925 30 20 CHED C=C1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 334361196 BQMLXTZZTRCNDC-RYUDHWBXSA-N 275.314 3.534 30 20 CHED Cc1csc([C@@H]2CCCCN2CC2(C#N)CCC2)n1 335216482 AEGMEHQFLWLEKX-ZDUSSCGKSA-N 275.421 3.672 30 20 CHED CNc1ccc(Cl)c(C(=O)Nc2cccc(C#N)c2)c1 336619383 UJNIXKZHAAIRAN-UHFFFAOYSA-N 285.734 3.506 30 20 CHED C=CCC(C)(C)c1nc(-c2ncccc2SC)no1 426565438 NISXKBJYEXHCQS-UHFFFAOYSA-N 275.377 3.707 30 20 CHED N#CC1(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CCCC1 332971041 AHZOYRBBEUBKFL-SJORKVTESA-N 296.414 3.913 30 20 CHED Cc1cc([C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)c(C)o1 336244643 VFYOUBJSGFZAHL-SJCJKPOMSA-N 286.375 3.548 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 426007252 JARSCLWSWBVELI-QKPAOTATSA-N 276.424 3.705 30 20 CHED C=CCC[C@@H](NC(=O)[C@H]1CC1(C)C)c1ccccc1 337481262 VXHVRUSQJBLLNY-HUUCEWRRSA-N 257.377 3.856 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1O 94617288 LDKMPULCBKVMLQ-NEPJUHHUSA-N 284.334 3.815 30 20 CHED CC(C)[C@H](NCC1(CC#N)CC1)c1cc(F)ccc1F 430745774 ZWUKKQWGWSTIRC-HNNXBMFYSA-N 278.346 3.945 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc2ccc(C)nc12)OCC 339198852 YTTLUHMMCFEQOO-INIZCTEOSA-N 298.386 3.853 30 20 CHED Cc1cc(CNC[C@@H]2CCCC(F)(F)C2)ccc1C#N 500424988 FLGLPIWENFWDCZ-CQSZACIVSA-N 278.346 3.782 30 20 CHED CCOc1ccc(CN(C)Cc2cc(F)ccc2C#N)cc1 345377649 BVJFDPFDWCUPHQ-UHFFFAOYSA-N 298.361 3.728 30 20 CHED CCOc1ccc([C@H]2CCCN2CC2(C#N)CC2)cc1 343255500 XGBXOQRUJITAKI-MRXNPFEDSA-N 270.376 3.526 30 20 CHED C=CC[C@H](C)NC(=O)CSc1ccc(C(C)C)cc1 523962947 NDNHGPDXMUTIOH-ZDUSSCGKSA-N 277.433 3.983 30 20 CHED C=CCn1cccc1C(=O)Nc1cnn(C2CCCC2)c1C 347290457 NLMPFZLRFGJLSA-UHFFFAOYSA-N 298.390 3.546 30 20 CHED CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(C#N)c1 340344177 YLOGPPUFUGKRGU-ZDUSSCGKSA-N 296.374 3.614 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(CC2(C#N)CC2)C2CC2)o1 343258946 KLTAWUUAVIDBKT-SWLSCSKDSA-N 270.376 3.671 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(C#N)cn1 521097706 MBKRGDFOAZFQBJ-CQSZACIVSA-N 287.407 3.774 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 529500128 BGYITHKOYFRGMM-UHFFFAOYSA-N 298.386 3.864 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCC(C)C 342503034 XJKLTCHWZASBGK-UHFFFAOYSA-N 291.439 3.805 30 20 CHED C=CCn1cccc1-c1nc([C@@H]2C[C@H]2c2ccccc2)no1 347215224 LCXCUCVRAYQQBD-LSDHHAIUSA-N 291.354 3.995 30 20 CHED CCCN(CC#N)Cc1cc(F)c(C(F)(F)F)cc1F 347074943 LTBKOJBAIKNUDX-UHFFFAOYSA-N 292.251 3.719 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(F)cc1N(C)C 348213107 IDAGLDIBCMOYIN-ZDUSSCGKSA-N 291.414 3.872 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2cccnc2)c1 255136935 MSKOGKXGRHHOCF-HJWRWDBZSA-N 267.328 3.767 30 20 CHED COc1ccc([C@@H](C)NC[C@H](C)CCC#N)c(C)c1OC 602661359 DGRBUDUSHAMNRU-TZMCWYRMSA-N 290.407 3.603 30 20 CHED C=CCCN(C)CCOc1ccc(C(F)(F)F)cc1 526058518 NCBDXFBZSDSBGP-UHFFFAOYSA-N 273.298 3.592 30 20 CHED CC(C)O[C@@H](CN(C)CC(C)(C)C#N)c1ccccc1 433299960 CTLHPDIKJHWZCT-INIZCTEOSA-N 274.408 3.634 30 20 CHED COc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1 255544173 ONMILDHKUPNROM-MDWZMJQESA-N 268.287 3.657 30 20 CHED CC(C)[C@@H]1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CCO1 341807192 MYBYNWZDUSEXPV-WDSOQIARSA-N 298.430 3.729 30 20 CHED N#CCCCOc1cccnc1NCc1ccc(Cl)o1 341983489 MYCIUXGKBZZLKP-UHFFFAOYSA-N 291.738 3.623 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCc3cc(C)ccc32)CC1 600856328 GIUOEJYPJCHNDQ-KRWDZBQOSA-N 284.403 3.590 30 20 CHED CC[C@@H](CNC[C@@H](C)CCC#N)Oc1ccccc1F 602574397 ZZRZJQWYKXRTGE-KBPBESRZSA-N 278.371 3.513 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(CC#N)c1ccccc1 522649595 SWAWTXVKUVSGST-GJZGRUSLSA-N 270.376 3.760 30 20 CHED N#Cc1cccc(CN(C2CC2)[C@@H]2CCc3ccccc32)n1 602447979 JBCFENKONJXVKC-LJQANCHMSA-N 289.382 3.605 30 20 CHED C=CCOc1ccccc1CN[C@H](C)[C@H]1CC12CC2 527864737 SUGNNYFVBXXNAP-UKRRQHHQSA-N 257.377 3.530 30 20 CHED Cc1ccccc1C=NOCc1cccnc1Cl 255423877 XJZVVPXMAKRHNV-UHFFFAOYSA-N 260.724 3.594 30 20 CHED CC1(C#N)CCC(NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CC1 449187770 MWWDWOZAEPSBJT-ULVWKDDTSA-N 280.415 3.634 30 20 CHED Oc1ccccc1C=Nc1ccc2ncsc2c1 255772142 NXESBVHTZGPGOM-UHFFFAOYSA-N 254.314 3.753 30 20 CHED CCN(C(=O)[C@H]1CC=CCC1)[C@@H](C)c1ccc(C#N)cc1 252016401 VUENUKYJAGGYAH-YOEHRIQHSA-N 282.387 3.824 30 20 CHED C=CCCCC[C@@H](C)NCc1ccccc1Cn1cncn1 449056440 PMJFEJIHGSPECR-MRXNPFEDSA-N 298.434 3.551 30 20 CHED Cc1cc(COc2ccc([N+](=O)[O-])cc2C)ccc1C#N 447293902 YEVJATRIDUZMOB-UHFFFAOYSA-N 282.299 3.662 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(Cl)cc(F)c1F 442189627 COSYQLPKAFGINK-ZETCQYMHSA-N 274.698 3.704 30 20 CHED C=CCC1(C(=O)Nc2ccc3nc(OC)ccc3c2)CCC1 359530362 XPMXJRBWWIDKIP-UHFFFAOYSA-N 296.370 3.928 30 20 CHED N#Cc1cccc(CN2CCCO[C@@H](c3ccccc3)C2)c1 609233701 GXQWOZJYQQLZJZ-LJQANCHMSA-N 292.382 3.522 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2c(F)cccc2F)CC1 354311433 KUQNOZIBRHDSCA-NSHDSACASA-N 279.330 3.888 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(O)cc2F)CCCC1(C)C 444633985 FVYISHSSXDYDKG-OAHLLOKOSA-N 291.366 3.738 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCCc3cc(C#N)ccc32)c1 1352052008 CFFVSDOKDPMQIY-QGZVFWFLSA-N 288.354 3.623 30 20 CHED C=CCCCNC(=O)N[C@@H]1CCCc2ccc(C)cc21 355633969 IUMSRLYPLOQCJX-MRXNPFEDSA-N 272.392 3.638 30 20 CHED CS[C@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 264555980 PUQUUDNSFJAQAJ-GHMZBOCLSA-N 294.445 3.628 30 20 CHED C=CCCOCCN[C@H](Cc1ccc(F)cc1)C(C)C 536836870 CVKWSRCLJHLZII-QGZVFWFLSA-N 279.399 3.575 30 20 CHED CN1CCN(CCCCC(C)(C)C#N)c2ccc(F)cc21 444660276 JJTCRKSTYNMKLT-UHFFFAOYSA-N 289.398 3.802 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccccc1Cl)C(C)C 537085631 JTJWQGCEWMWGQG-BBRMVZONSA-N 281.827 3.954 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(CC#N)cc1 534041555 BQWPYXJPWIPSEJ-DOTOQJQBSA-N 284.403 3.793 30 20 CHED C=CCC1(NCc2ccn(C(F)F)n2)CCCCC1 449576772 UZEATGSUZMLUAO-UHFFFAOYSA-N 269.339 3.647 30 20 CHED C=CCCCC[C@H](C)NCCc1nc(C)oc1C 449212444 VBUCXVGNIHUBRQ-LBPRGKRZSA-N 250.386 3.558 30 20 CHED Cc1ccc(C)n1C1CCN(Cc2cc(C#N)cs2)CC1 352921577 KBOGJIKYCPTRQA-UHFFFAOYSA-N 299.443 3.875 30 20 CHED C[C@@H](CC#N)NCc1csc(-c2ccc(Cl)cc2)n1 612584410 GTIGNFBHURMTIU-JTQLQIEISA-N 291.807 3.855 30 20 CHED C=CCN(C(=O)CCSc1ccc(C)cc1)C1CC1 357493248 NUGGSEMEDTWIAV-UHFFFAOYSA-N 275.417 3.654 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1scnc1CC 537246658 DPQXLVXZLDNEEM-JTQLQIEISA-N 267.398 3.572 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc(Cl)c1 264010596 ARSKBDYQIMJCAX-UHFFFAOYSA-N 278.783 3.742 30 20 CHED C[C@@H](NC(=O)Nc1cccc(CC#N)c1)[C@H]1C[C@H]2CC[C@H]1C2 455942743 IHWPPTALUVCIOI-VWNJHIHFSA-N 297.402 3.699 30 20 CHED C=CCCCC(=O)N=c1cc(-c2ccc(Cl)s2)[nH][nH]1 533842282 CVVSVURIOGNHNK-UHFFFAOYSA-N 295.795 3.508 30 20 CHED N#CC1(CN2C[C@@H]3CCCCN3c3ccccc32)CCC1 451071455 AICYXXHFKIXXLC-HNNXBMFYSA-N 281.403 3.559 30 20 CHED C[C@H]1C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CC[C@H]1C 618802825 FZZQENTYLYOYGL-IHHFWDAISA-N 268.404 3.960 30 20 CHED CCCCCSc1cccc(C#N)c1[N+](=O)[O-] 450423682 PAQNYBJWXSLCFL-UHFFFAOYSA-N 250.323 3.749 30 20 CHED C=CCSCCNC(=O)c1ccc(-c2ccco2)s1 610804525 XPTLRJBLLQKQJI-UHFFFAOYSA-N 293.413 3.657 30 20 CHED C[C@@H](N[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 367800389 JBDWPZXPQPNRMP-KUHUBIRLSA-N 292.382 3.665 30 20 CHED Cc1c(-c2noc([C@]3(C#N)C[C@H]3C)n2)oc2ccccc12 453159478 DPCKCWZFKDRQLQ-ABKXIKBNSA-N 279.299 3.592 30 20 CHED C=CCCC1(c2nc(-c3cccc([N+](=O)[O-])c3C)no2)CC1 453245407 BSVAXXBPGUKBNI-UHFFFAOYSA-N 299.330 3.951 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C1=CC[C@H](C)CC1 454656296 CQXMBTWJODUFTM-HNNXBMFYSA-N 269.388 3.948 30 20 CHED C=CCCC[C@H](C)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455990254 HJVLADGIQTUEDL-HNNXBMFYSA-N 298.430 3.988 30 20 CHED CC(C)(C)c1ncc(C(=O)Nc2cccc(CC#N)c2)s1 456742297 ZUGBVXSAPZVTIU-UHFFFAOYSA-N 299.399 3.759 30 20 CHED CCc1ccccc1C(=O)NCc1ccc(C#N)c(Cl)c1 619766030 YHWOGUYBNLYWIW-UHFFFAOYSA-N 298.773 3.704 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@]1(C)CC(C)C 452506083 CQSRGWUFSFAFSI-GOSISDBHSA-N 284.403 3.908 30 20 CHED C=C(CC)CNC(=O)N1CCc2sccc2[C@@H]1CC 459080723 QCJHRLBWNYWDJA-ZDUSSCGKSA-N 278.421 3.733 30 20 CHED Cc1ccc(C(=O)Nc2cccc(CC#N)c2)c(C(C)C)n1 456762326 ZBHWGASYRYPNRU-UHFFFAOYSA-N 293.370 3.832 30 20 CHED N#CCCN(Cc1ccco1)C[C@H]1CCOc2ccccc21 362120726 XFEYIMKJCCXNRZ-OAHLLOKOSA-N 296.370 3.562 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)cc1OC 547710732 GINYBUFZAGNSSR-UHFFFAOYSA-N 275.392 3.822 30 20 CHED CCC(C)(C)c1ccc(CNC(=O)[C@]2(C#N)C[C@H]2C)cc1 450202473 OJNQWUFBSJYQQN-ACJLOTCBSA-N 284.403 3.540 30 20 CHED C=CCC[C@@H](CO)N[C@H](CC)c1ccc(OC(F)F)cc1 453371745 UUZZAXMTZJBWII-DZGCQCFKSA-N 299.361 3.656 30 20 CHED C=C(C)CCN1CCC(C(=O)c2ccc(OC)cc2)CC1 274748383 HBZKKJYKMRTUGU-UHFFFAOYSA-N 287.403 3.556 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cccc(-c2nnc(C)n2C)c1 272219606 FTJJVALBZZSWHR-OLZOCXBDSA-N 284.407 3.803 30 20 CHED Cc1ccc(C)c(Cc2noc(-c3cc(C#N)cs3)n2)c1 545029366 NGLRRNNWGIQAOQ-UHFFFAOYSA-N 295.367 3.877 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)[C@@]1(C#N)C[C@@H]1C 460005196 BWWXAHANTPYVOL-ZUZCIYMTSA-N 292.766 3.617 30 20 CHED C=CCCCCN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 547431708 VZLOBAVCTZJZSP-ZDUSSCGKSA-N 272.392 3.578 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1CNc1cccc(C#N)c1 272624978 JMLYKVIIDQUORG-UHFFFAOYSA-N 282.391 3.739 30 20 CHED C=CC[C@H](CC)NC(=O)N(CCC)Cc1ccccc1 466365898 BBRWASBDIGEJHR-INIZCTEOSA-N 274.408 3.963 30 20 CHED C=C(C)CCNc1cccc2c1CN(c1ccccn1)C2 377441036 DFALSUXSGWPPJX-UHFFFAOYSA-N 279.387 3.980 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2c(Cl)cccc2n1 285961412 JIUBWWUGDPJXJL-OAHLLOKOSA-N 287.750 3.767 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(OC2CCCC2)cc1 465151598 APGBAABZSYHOPJ-LBPRGKRZSA-N 274.364 3.704 30 20 CHED CC1=C(C)CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 281063773 KFBLCCCHURLWEE-KRWDZBQOSA-N 297.402 3.783 30 20 CHED C[C@H](C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21)c1cccc(C#N)c1 462594924 SERAAGYNGDWRBB-USJZOSNVSA-N 296.414 3.699 30 20 CHED C[C@H](C(=O)Nc1ccc(F)c(F)c1)c1cccc(C#N)c1 462291219 ATQKQCUJODEEPT-JTQLQIEISA-N 286.281 3.579 30 20 CHED C#CCC1(C(=O)N2CC[C@@H](c3ccco3)C2)CCCCC1 373754139 OAWIAZGTZMAELK-OAHLLOKOSA-N 285.387 3.569 30 20 CHED C[C@@H](NCCCC#N)c1ccc(Oc2cccnc2)cc1 289494599 SVWCPSOLILRQSK-CQSZACIVSA-N 281.359 3.828 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C)c1 464160106 VDIJLMYKLMNJDR-SUMWQHHRSA-N 272.392 3.543 30 20 CHED C[C@@H]1COCC[C@H]1CNc1ccc(C#N)cc1C(F)(F)F 553650355 YFQLDYRPKUNTRQ-PWSUYJOCSA-N 298.308 3.662 30 20 CHED C=C[C@@H](C)NC(=O)NCC(C)(C)c1c(F)cccc1Cl 464754977 LVCVVQMWFOQCOU-SNVBAGLBSA-N 298.789 3.630 30 20 CHED C=CCC(C)(C)CNC(=O)C1(C(F)F)CCCC1 554529358 ROQVTVNRWWGVEZ-UHFFFAOYSA-N 259.340 3.530 30 20 CHED CCCCCC(=O)N[C@@H](C#N)c1ccc(CC)cc1 554789538 BJZXFPUQXBRGJL-HNNXBMFYSA-N 258.365 3.510 30 20 CHED C=CCCC(=O)NC(C)(C)c1ccc(OCCC)cc1 478532975 CPHDZDPXTYTPGW-UHFFFAOYSA-N 275.392 3.793 30 20 CHED C=CCC1(c2nc(Cc3ccc(F)cc3F)no2)CCC1 554797515 WVDXXPQLBSKWIC-UHFFFAOYSA-N 290.313 3.936 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCc2ncccc2C)c1 295059216 VGJATKNRQYHWJK-UHFFFAOYSA-N 293.370 3.509 30 20 CHED C#Cc1cccc(NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)c1 292706235 RBRUGBWRXBCTJP-INIZCTEOSA-N 282.387 3.710 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccccc1SC 472173286 NJRANPIKHWERGR-UHFFFAOYSA-N 292.448 3.906 30 20 CHED C=CCCN[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 639306473 DOGOTHKTTBEDTL-FUHWJXTLSA-N 270.420 3.520 30 20 CHED CC[C@H](SCCO[C@H](C)C#N)c1ccc(F)cc1 802752420 QEWMIKQCAKKXKX-RISCZKNCSA-N 267.369 3.939 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(Cl)c1Cl 806107031 AFQBUPUWLREOBG-VIFPVBQESA-N 285.174 3.917 30 20 CHED COCCCCc1cccnc1NCc1ccc(C#N)cc1 292612613 RHWSLCWMGRGANX-UHFFFAOYSA-N 295.386 3.534 30 20 CHED Cc1ccccc1CCCSCCO[C@H](C)C#N 802750573 AZDIQPVXUJPBAV-CQSZACIVSA-N 263.406 3.590 30 20 CHED CC[C@@H]1CCC1=NNc1ccc(Cl)c(OC)c1 807984739 FBBIOQFPXMUMTJ-SECBINFHSA-N 252.745 3.937 30 20 CHED Cc1cccc([C@H](NCCO[C@H](C)C#N)C(C)(C)C)c1 801938699 HULTXKUJYZTMAM-ZBFHGGJFSA-N 274.408 3.601 30 20 CHED CC(C)N(CCC1CCOCC1)Cc1ccc(C#N)cc1 292588979 KGHQXGKLOYNGRK-UHFFFAOYSA-N 286.419 3.585 30 20 CHED C=CCCCCCCNC(=O)Cc1ccc(F)c(F)c1 805220788 FSYAMIUMMWVNAT-UHFFFAOYSA-N 281.346 3.760 30 20 CHED CCn1nccc1/C=C\C(=O)c1c(F)cccc1Cl 809159219 KUDGQNDDPXTRMP-SREVYHEPSA-N 278.714 3.592 30 20 CHED C=C[C@@H](CC(=O)N1CC(CC)(CC)C1)c1ccccc1 294499925 SIQMVQGHSJQZPE-HNNXBMFYSA-N 271.404 3.995 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1ccccc1SC 802840324 WHOOUTSCLUTCKE-IAQYHMDHSA-N 277.389 3.953 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(C2CC2)C2(C#N)CCC2)CC1 560101936 PXGUJTNKMWRWRL-HDJSIYSDSA-N 274.408 3.640 30 20 CHED C=CCN(CC=C)C(=O)C1(c2cccc(C)c2)CCC1 641852307 SMFXRQWUJWCKKW-UHFFFAOYSA-N 269.388 3.617 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC[C@H]1C(C)(C)C#N 814935548 NRUJFZDYWLKQEV-GOEBONIOSA-N 299.418 3.749 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC[C@@H](C)C1 811668105 KRNBJFQMMAUTLL-KGLIPLIRSA-N 260.381 3.610 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1cc[nH]n1 814751514 NQTRDXSIRRBELD-UHFFFAOYSA-N 269.135 3.553 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccccc1SCC#N 817457149 MGNLWSOBTBRUNA-UHFFFAOYSA-N 288.416 3.634 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1occc1C 813754643 KUXVTGQZYOTQDG-UHFFFAOYSA-N 278.396 3.866 30 20 CHED C[C@H](OC(=O)CCCC1CC1)c1ccc(C#N)cc1 812603127 JXCCTHCMWZUAIF-LBPRGKRZSA-N 257.333 3.743 30 20 CHED CC(C)OCCON=C1CCC(C(F)(F)F)CC1 812239585 XRJWIEGZBVGACS-UHFFFAOYSA-N 267.291 3.537 30 20 CHED C=CCCCCCCCNC(=O)N[C@H]1C[C@H](C)O[C@H](C)C1 811900167 RAXMOLAFANLHDI-MUJYYYPQSA-N 296.455 3.768 30 20 CHED CC1(C)CCCC[C@H]1NN=C1CCO[C@@H](C(F)(F)F)C1 814918021 YPLSNPDUKCDGPU-VXGBXAGGSA-N 292.345 3.642 30 20 CHED C=CCC1(NCc2cccc(Cl)c2)CCOCC1 657633313 UAEYRZMLSBJDAJ-UHFFFAOYSA-N 265.784 3.555 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1c(Cl)nc2sccn12 819953083 PHUJYRBTOREGHH-UHFFFAOYSA-N 298.795 3.695 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1C 488289379 FNXUYTFIHUZFNQ-PBHICJAKSA-N 256.393 3.672 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@H](C4CC4)C3)c2c1 487107813 IFRCANJZFZUADK-HNNXBMFYSA-N 291.398 3.960 30 20 CHED C=CC[C@H](NC(=O)N(C)[C@@H](C)CCCC)c1ccncc1 812047860 JXKYUALLDHJRFB-HOCLYGCPSA-N 289.423 3.919 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 812640120 RKCXKCXNIFXUSD-NILFDRSVSA-N 257.333 3.599 30 20 CHED C=CCCNCc1ccc(OCCC)c(OCC)c1 657582406 KZRBGVXNJWGWGA-UHFFFAOYSA-N 263.381 3.540 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)s1 487642225 RADHXYKHLMVZSS-LSDHHAIUSA-N 296.395 3.686 30 20 CHED CCN(Cc1ccc(O[C@@H](C)C#N)cc1)CC(C)(C)C 812795110 LUOXYOSMOCJXGG-AWEZNQCLSA-N 274.408 3.845 30 20 CHED CCOc1ccccc1/C=C1/Cc2ccc(C#N)cc2C1=O 811695904 NTSXYBCKHTWVNI-WJDWOHSUSA-N 289.334 3.779 30 20 CHED C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 728713192 TUEHEAKFIMARLV-AMTGTPFRSA-N 298.430 3.892 30 20 CHED C=CCNC(=S)Nc1cc(Cl)ccc1SCC 729163175 VIZXFTHDCSOHBE-UHFFFAOYSA-N 286.853 3.924 30 20 CHED Cc1ncc(-c2ccccc2)cc1NC(=O)[C@@]1(C#N)C[C@H]1C 576789748 QEKNOIGPBUJHSN-KZULUSFZSA-N 291.354 3.545 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2cc3ccccc3n2CC#N)C1 729648880 IWWOONDYMDHOQP-HIFRSBDPSA-N 296.370 3.900 30 20 CHED C/C(C=Nn1cnc2ccccc21)=C\c1ccccc1 725849288 CUIVIACFPVETMD-XHOSPMEYSA-N 261.328 3.974 30 20 CHED N#C[C@@]1(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC12CCCC2 571199437 UUIRGVYJYVJCSN-HDMKZQKVSA-N 286.419 3.545 30 20 CHED O=C1/C(=C\c2ccc3c(c2)OCCO3)CCc2sccc21 726891275 HXMSRTUVNRGLAY-XFXZXTDPSA-N 298.363 3.732 30 20 CHED CC(C)[C@H](Nc1cc(C#N)ncn1)c1ccccc1Cl 575117152 HMMBSTBOSPROFT-HNNXBMFYSA-N 286.766 3.811 30 20 CHED N#CCCCOC(=O)CCc1ccc(Cl)c(Cl)c1 725980419 KHPCTRUPESJOMH-UHFFFAOYSA-N 286.158 3.773 30 20 CHED CCCCC1CCC(C(=O)N[C@@](C)(C#N)CSC)CC1 570883548 SUZPDHNMJLGLNR-XUJLQICISA-N 296.480 3.744 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C)c2)C1 665983639 GNJJKQQQZZUIBK-CYBMUJFWSA-N 276.355 3.954 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)NCC1(C#N)CC1 571482059 GRIOTZMSUBOKNU-OAHLLOKOSA-N 276.424 3.649 30 20 CHED Cc1ccc2cccc(N=Cc3cccc(O)c3O)c2n1 727265247 LZDIUOCOOVQBQD-UHFFFAOYSA-N 278.311 3.705 30 20 CHED C=CCn1cccc1C(=O)N(CC)c1cccc(Cl)c1 490047253 FBCNKWFMCDTZFS-UHFFFAOYSA-N 288.778 3.994 30 20 CHED Cc1ccc(C=NNc2cnc3ccccc3n2)c(C)c1 727258303 DEIGARMZIXWUBA-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(CCC(C)C)cc2)cn1 728820500 RTIUKPIMJWJWSU-UHFFFAOYSA-N 292.382 3.904 30 20 CHED N#C[C@]1(F)CCN(Cc2ccc(C3CCCC3)cc2)C1 588968691 XFHFZACSHUPDRW-QGZVFWFLSA-N 272.367 3.782 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 729074137 DCPUYLZLOCULNI-VIFPVBQESA-N 289.158 3.880 30 20 CHED CC[C@H](NC(=O)C#CC(C)C)c1ccc(Cl)s1 827775540 GHGQKKVWVUQWDS-JTQLQIEISA-N 269.797 3.628 30 20 CHED CC(=NNc1cnnc2ccccc12)c1cccc(C)c1 733748409 VTSBVWOIRQNZKQ-UHFFFAOYSA-N 276.343 3.774 30 20 CHED C=CC[C@@H](NC(=O)N(CC(C)C)C1CC1)c1ccncc1 734681196 UFRSBEZTWMVKRP-MRXNPFEDSA-N 287.407 3.529 30 20 CHED C=C(CC)CN1C[C@H](c2ccccc2C)OC[C@H]1C 583338183 DSKZHFNZBRNVAZ-NVXWUHKLSA-N 259.393 3.723 30 20 CHED COc1ccc(CCC(C)=NOCC[C@H]2CCCO2)cc1 588557536 HLHVGJSMTQTNCL-QGZVFWFLSA-N 291.391 3.589 30 20 CHED C=CCCCOC(=O)c1cccc2c(C)c(C)[nH]c12 735528533 SKCOTRVDPNFMRF-UHFFFAOYSA-N 257.333 3.908 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccccc1-n1cncn1 733749775 YIUKGZCUJHYZHK-VOTSOKGWSA-N 295.367 3.533 30 20 CHED CC(C)(C(=O)OCCCCC#N)c1cccc(Cl)c1 736915575 OFRUWMQAJWZEAC-UHFFFAOYSA-N 279.767 3.855 30 20 CHED N#Cc1ccccc1-c1cc(Cn2cccn2)ccc1F 589962925 HSFMLFMPXOKGGN-UHFFFAOYSA-N 277.302 3.609 30 20 CHED CCC(CC)N(CC)C(=O)CC1(C#N)CCCCC1 597658250 YYWHUIRNUDOBNJ-UHFFFAOYSA-N 264.413 3.888 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 837429331 PTQAUGVCECNJLK-IRXDYDNUSA-N 283.415 3.564 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C(C)=O)c1ccccc1 837578748 OBIYYRMSPNQVNZ-INIZCTEOSA-N 272.344 3.628 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H](C)C1CCCC1 674092028 FPCNHQFFKNXMEE-CQSZACIVSA-N 287.403 3.694 30 20 CHED Clc1cccc(C=NOCC2CCOCC2)c1Cl 735488134 FORVOOFYGPETEC-UHFFFAOYSA-N 288.174 3.771 30 20 CHED C=CCCCCCCNC(=O)CC1CC(F)(F)C1 831987847 YXEZKYUKJRJHBQ-UHFFFAOYSA-N 259.340 3.675 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccc(C)c(C)c1 837143895 HKIMIIYKCMICRS-UHFFFAOYSA-N 271.404 3.846 30 20 CHED C#CC1CCN([C@H](C)c2ncc(-c3ccccc3)o2)CC1 830326730 ZKYURTGZECWGMV-CQSZACIVSA-N 280.371 3.748 30 20 CHED C=CCCOCC(=O)N1CC(CC)(CC)c2ccccc21 676989469 MXYBDGUSTHUEAO-UHFFFAOYSA-N 287.403 3.684 30 20 CHED Cc1cc(C=NNc2ncccc2Cl)cc(C)c1O 917549006 GEGFNHPBMJRJBY-UHFFFAOYSA-N 275.739 3.503 30 20 CHED CC1CCN(c2ccc(NC(=O)C#CC(C)(C)C)cc2)CC1 837319056 WZFCVZUXRNRERB-UHFFFAOYSA-N 298.430 3.911 30 20 CHED C[C@]1(CC(=O)N(CC#N)c2ccccc2)CC1(Cl)Cl 839267424 QGRVNTFGKQOTRD-ZDUSSCGKSA-N 297.185 3.517 30 20 CHED CC/C(=C/C(=O)OCC1(C#N)CCC1)c1ccc(OC)cc1 837588233 JNGXDQVWSWEICF-KAMYIIQDSA-N 299.370 3.726 30 20 CHED N#CCOC(=O)c1sc2cccc(Cl)c2c1Cl 913327533 KLFYJEIEEMKXAA-UHFFFAOYSA-N 286.139 3.888 30 20 CHED Cc1cccc(NC(=S)NN=Cc2cccs2)c1C 915911867 KNBDJHOZXWKJKJ-UHFFFAOYSA-N 289.429 3.685 30 20 CHED Cc1cc(/C=C2\C[C@@H](C)c3ccccc3C2=O)nn1C 840717405 UTLHAJLFYIEFGO-BVRAVYJCSA-N 266.344 3.502 30 20 CHED C=CCNC(=O)[C@@H](C)SCC[C@@H]1CCc2ccccc21 596415565 LRELMACPIMPWAP-HIFRSBDPSA-N 289.444 3.530 30 20 CHED C[C@@H](C#N)N(CCCSCc1ccccc1)C1CC1 595713794 WSPZNRBAWXHBDG-AWEZNQCLSA-N 274.433 3.686 30 20 CHED C#C[C@@H](OC(=O)CCCCSC)c1ccc(F)cc1 842410239 CCOYXCVITYCZMN-CQSZACIVSA-N 280.364 3.577 30 20 CHED C=C(Cl)C/N=C(/Nc1ccccc1)N1CCCCC1 849101407 WKEFINWOHYEOAG-UHFFFAOYSA-N 277.799 3.693 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)ccc1N(C)C(C)C 741530789 RADBZPUGOHHXKL-UHFFFAOYSA-N 288.435 3.878 30 20 CHED CC(C)c1cnc(CN2CCCc3cc(C#N)ccc32)o1 846927226 SBJFYRLORYWQBD-UHFFFAOYSA-N 281.359 3.622 30 20 CHED CCc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1O 848898566 WEIQGRKHCRYCIZ-ZDUSSCGKSA-N 280.371 3.677 30 20 CHED COCCc1cccc(-c2ccc(OCCC#N)cc2)c1 592985433 HSHDIUXWCUHFBW-UHFFFAOYSA-N 281.355 3.835 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)CCC(C)(C)C 592222435 ACCZMSGVPFVNBA-UHFFFAOYSA-N 273.380 3.767 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H]2CO[C@@H](C)C2)cc1 842927692 FQVNHZGXTNFBBG-KCQAQPDRSA-N 295.810 3.646 30 20 CHED C=C(Cl)C[S@@](=O)Cc1cccc(OC(F)(F)F)c1 844652664 NKBQQYORWBOFKB-GOSISDBHSA-N 298.713 3.586 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 592607337 MFDVVFVJJGKNSW-ZENOOKHLSA-N 264.413 3.503 30 20 CHED CCCO[C@H]1CCCN([C@H](C#N)c2ccccc2)CC1 595311055 HTTRTRGTTNNOHP-DLBZAZTESA-N 272.392 3.532 30 20 CHED C=C(C)[C@H](N[C@@H](C)CCCCO)c1ccc(F)c(F)c1 681401451 UWZBJDZZEQVPNP-LRDDRELGSA-N 283.362 3.723 30 20 CHED CCc1ccccc1NN=Cc1ccc(OC)c(C#N)c1 741761565 NZLADXIMXZGGSN-UHFFFAOYSA-N 279.343 3.575 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ccc(Cl)nn1 748244087 JBMOBUGKZCOZSF-SECBINFHSA-N 254.765 3.744 30 20 CHED C=C[C@](C)(CC)c1nc(COc2ccccc2C)no1 685325340 RQIXYQNUARKOLD-MRXNPFEDSA-N 272.348 3.811 30 20 CHED C=C(C)CONC(=O)N[C@@H](C)c1oc2ccccc2c1C 845592923 JJZJKSOXRJKRLT-LBPRGKRZSA-N 288.347 3.609 30 20 CHED C(=NNC1CCCC1)c1cccc(-c2ccccn2)c1 747751969 UIPLOLCASFCXCT-UHFFFAOYSA-N 265.360 3.615 30 20 CHED CC(C)(C#N)C(=O)OCC1CCC(C(C)(C)C)CC1 744794554 YYLKQYMELBIGOW-UHFFFAOYSA-N 265.397 3.932 30 20 CHED Cc1ccc2oc(CN[C@H]3CCC[C@H](C#N)C3)cc2c1 595085247 JQNIPVKWCRBBGB-ZFWWWQNUSA-N 268.360 3.913 30 20 CHED CC(C)(C)[C@H]1C[C@@H](NCCc2ccc(C#N)cc2)CS1 597179921 XUGYEMSFEPBEBK-HZPDHXFCSA-N 288.460 3.611 30 20 CHED C[C@@H](CCc1ccccc1F)C(=O)Oc1ccc(C#N)cc1 744017586 HRVNVRJXVKGJDM-ZDUSSCGKSA-N 297.329 3.872 30 20 CHED CC[C@H](C#N)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 593455894 YGPWJRSTJJWDEJ-CXAGYDPISA-N 295.386 3.771 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(F)cc1OC(C)(C)C 844594806 WEUHGOCWBXAXRE-SNVBAGLBSA-N 296.342 3.631 30 20 CHED C#CCCCNC(=O)N[C@H](c1ccccc1)C(CC)CC 745524794 JPYRIUKCONAZTJ-KRWDZBQOSA-N 286.419 3.877 30 20 CHED C[C@H]1CC(=NNc2nc3ccccc3[nH]2)C[C@H](C)C1 747740068 GDVTXWHVFSAMBM-GHMZBOCLSA-N 256.353 3.787 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC)Cc1ccc(OC)cc1 929964256 XEZLJQZGGDPKQK-AWEZNQCLSA-N 275.392 3.646 30 20 CHED CC[C@H](CC#N)OC(=O)CCCc1ccc(SC)cc1 842772426 ZLPQMBQWDWHSBZ-CQSZACIVSA-N 291.416 3.967 30 20 CHED CO[C@@H]1Cc2ccc(N[C@@H](C)CC(C)(C)C#N)cc2C1 926164322 GKKCTVGZSKUAPQ-BLLLJJGKSA-N 272.392 3.540 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cnc3ccccn23)c1 740765126 QJFKIHPQRMKWMU-KTKRTIGZSA-N 292.338 3.629 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(C)c(C)s1 741857540 OOUUTDLVUZARGA-GFCCVEGCSA-N 298.477 3.665 30 20 CHED CC(C)c1ccccc1C=Nn1c(S)nnc1C(C)C 848400771 LMFKVXIKOOJQSW-UHFFFAOYSA-N 288.420 3.696 30 20 CHED C[C@H](NN=Cc1ccc(F)c(F)c1)c1ccccc1 920386009 NGAAXAMSAOBCHA-NSHDSACASA-N 260.287 3.650 30 20 CHED C=CCN(C(=O)/C=C(/C)c1ccc(F)cc1)C(C)C 921278550 FIAVHTVLHDAXQU-QBFSEMIESA-N 261.340 3.652 30 20 CHED C=CCC(CC=C)c1nc(C2C[C@@H]3CC[C@H](C2)N3C)no1 680778852 XWDJDBCXGPOGHM-GOOCMWNKSA-N 287.407 3.646 30 20 CHED CCCCCCCCCCNC(=O)c1cc(C)nn1C 755488592 WDRRJMFJHPDTDC-UHFFFAOYSA-N 279.428 3.599 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(F)cc2N(C)C)cc1 759606167 UESSVSBRAAVJOJ-IZZDOVSWSA-N 299.345 3.796 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1cccc(F)c1)OCC 756474011 VUMJTXUXTXIXGB-IUODEOHRSA-N 280.339 3.801 30 20 CHED C=CCN(CCC(=O)Nc1ccccc1SC)C(C)C 920411791 GHGXGVDTMDZNFP-UHFFFAOYSA-N 292.448 3.634 30 20 CHED CCCCCCCCNC(=O)/C=C\c1cccnc1 755148466 XPJHCHIQGINCHQ-KHPPLWFESA-N 260.381 3.572 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2CCCCC2)cc1 49861688 QRVNBIYAKBNTQY-INIZCTEOSA-N 270.376 3.510 30 20 CHED C#CCOc1ccc(CNc2cnc3ccccc3c2)cc1 759080718 WRXNTAGLZYLVQY-UHFFFAOYSA-N 288.350 3.859 30 20 CHED O=C1/C(=C/c2cccnc2)CCc2c(Cl)cccc21 758040439 PTORIDYSMRZLOU-FMIVXFBMSA-N 269.731 3.948 30 20 CHED C=CCC1(NC(=O)[C@H](F)CC2CCCCC2)CCOCC1 855686924 ZBHFXFBBEBITAO-OAHLLOKOSA-N 297.414 3.536 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](C)C1CC1 684257236 AZQBJJWZBYKPAI-OAHLLOKOSA-N 286.419 3.820 30 20 CHED C[C@H]1Cc2cc(CN[C@@H](C)c3cccc(C#N)c3)ccc2O1 921802625 ANUIHALDIQLDJA-KBPBESRZSA-N 292.382 3.732 30 20 CHED C[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1cccs1 851209452 LDMLOPJBXFBEQK-GHMZBOCLSA-N 265.378 3.723 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1cccc(-c2ccccn2)c1C 854698734 FWYIIOHODYYOCJ-IBGZPJMESA-N 292.382 3.589 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc2cccnc2s1 851204453 AABWTBAAEILPKF-SNVBAGLBSA-N 288.372 3.781 30 20 CHED Cc1ccnc(NN=Cc2cc(C(F)(F)F)ccc2F)c1 755907179 WOCHBSWQIIQQFM-UHFFFAOYSA-N 297.255 3.994 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc3c(c2)CCN3C)cc1 751524868 FJISLXCDURJSMT-ONNFQVAWSA-N 293.366 3.584 30 20 CHED C#CCCCCNC(=O)N(CCC(C)C)CCC(C)C 758885951 MWEXIKYJPPPJGB-UHFFFAOYSA-N 280.456 3.894 30 20 CHED C=CCCCC(=O)Oc1ccc(Br)c(OC)c1 851178003 YCKUIEPGHQPGME-UHFFFAOYSA-N 299.164 3.719 30 20 CHED CC(=NNc1ccccn1)c1cc2ccc(C)cc2o1 754911947 PKVHEKLAGCDBEP-UHFFFAOYSA-N 265.316 3.972 30 20 CHED C=CCCC(=O)COC(=O)CCCc1ccc(Cl)cc1 761382712 STUGZPUIWNHZBP-UHFFFAOYSA-N 294.778 3.741 30 20 CHED C#CCCCN1CCC[C@@H]1c1cccc(Br)c1 766896236 YGQHURZPXVNYDY-OAHLLOKOSA-N 292.220 3.999 30 20 CHED CCCCCCCCC(=O)Nc1ccsc1C(N)=O 769703094 RAQBWKVOKCOFPO-UHFFFAOYSA-N 282.409 3.536 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(Cl)c2occc12 931327009 LAPMUFBXEHPPPS-UHFFFAOYSA-N 290.750 3.850 30 20 CHED C#CCCCN(CCc1ccccc1)C1CCCC1 766894247 BQAYYFUXGOSVDZ-UHFFFAOYSA-N 255.405 3.887 30 20 CHED Cc1sc(NC(=O)[C@@H](F)c2ccccc2)c(C#N)c1C 769435630 KXSALEATZMVGQV-ZDUSSCGKSA-N 288.347 3.886 30 20 CHED C=CCOC(=O)c1ccc(Br)c(Cl)c1F 769518124 ZIESJDHUIFZBQM-UHFFFAOYSA-N 293.519 3.584 30 20 CHED CC(C)C(=O)N1CCC(=NOCCCC2CCCC2)CC1 764550064 GVWOPVAZTRSANS-UHFFFAOYSA-N 294.439 3.608 30 20 CHED Cc1cc(Cl)ccc1C[S@](=O)CCCCC#N 768765360 WTKTXTIKVNINBB-QGZVFWFLSA-N 269.797 3.591 30 20 CHED CC[C@@H](C)Oc1ccccc1/C=C/C(=O)OC1(C#N)CCC1 762091615 NPUQHKQVLJEBJK-ATWMFIQVSA-N 299.370 3.867 30 20 CHED Cc1nc(-c2ccccc2)sc1C(=O)OC1(C#N)CCC1 762094601 LKBIOEBXJQPYGF-UHFFFAOYSA-N 298.367 3.722 30 20 CHED C#C[C@H](OC(=O)CCc1nc(C)cs1)c1ccc(C)cc1 860963518 XCUDNJIFOGRLGF-HNNXBMFYSA-N 299.395 3.610 30 20 CHED CCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC 862354591 BUSGLIQIAZZTPM-JKSUJKDBSA-N 289.419 3.885 30 20 CHED Clc1ccc(CNN=Cc2cnc(C3CC3)s2)cc1 764718563 NMYGXBQVYHDXPY-UHFFFAOYSA-N 291.807 3.798 30 20 CHED CC#CCCCC(=O)OCCCOc1ccccc1C 767674644 HUCHSKANKAPNQB-UHFFFAOYSA-N 274.360 3.501 30 20 CHED C[C@H]1N(C(=O)c2csc(C#N)c2)c2ccccc2C1(C)C 1118788443 NRXXMQGMDRZHJJ-LLVKDONJSA-N 296.395 3.946 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2cnnc3ccccc23)C1 768361096 BPYSCNJCLFTDGM-QWHCGFSZSA-N 268.364 3.854 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NOCC(F)(F)F 764841969 ZYFJGYMJXUMCKP-UHFFFAOYSA-N 277.261 3.959 30 20 CHED Fc1ccccc1NN=Cc1cnc(C2CC2)s1 761805349 ZFELAQWEULONRQ-UHFFFAOYSA-N 261.325 3.606 30 20 CHED C=C(Br)COC(=O)C(CC)(CC)CC 761481406 TZULLOCXOHGJSV-UHFFFAOYSA-N 263.175 3.655 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)C1CCCCCC1 1435845433 BPMJICUSMKFZDQ-CYBMUJFWSA-N 262.397 3.545 30 20 CHED CCC(CC)CNN=Cc1ccc(F)cc1Cl 774473620 SXRMAKCFBOQPGF-UHFFFAOYSA-N 256.752 3.839 30 20 CHED C#CC[C@@H](Cc1ccccc1)OC(=O)C1(C)CC(F)(F)C1 873529258 SMFYJYBLBBIGJZ-AWEZNQCLSA-N 292.325 3.600 30 20 CHED CCN(Cc1ccc2ccc(Cl)cc2n1)C[C@H](C)C#N 878020738 PRIXIYPSRCOCPF-GFCCVEGCSA-N 287.794 3.870 30 20 CHED CC#CCCCC(=O)O[C@H]1COc2cc(Cl)ccc21 774519728 JVFGXVGOZJQQQH-AWEZNQCLSA-N 278.735 3.510 30 20 CHED C=CCN(C(=O)Nc1ccc(C2CC2)cc1)C(C)C 772573055 UXVUUGDQPZVMEG-UHFFFAOYSA-N 258.365 3.992 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)c1cccc(F)c1 779913111 CSGBHOJGINWAPP-UHFFFAOYSA-N 289.394 3.803 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1/C=C\c1ccccc1 779733074 VSVPYTCEUXCLKR-BLIJAFNYSA-N 286.444 3.615 30 20 CHED CC(C)c1nc(C=NOCCC(F)(F)F)c2ccccn12 777455868 MTDUFNZJQGNTKP-UHFFFAOYSA-N 299.296 3.761 30 20 CHED C[C@H]1CC=C(c2nnc(-c3ccc(C#N)cc3)o2)CC1 1118371710 GGORFQYGXXSGNN-NSHDSACASA-N 265.316 3.812 30 20 CHED C#CCCCCCC(=O)N(CC)Cc1ccc(OC)cc1 779817779 GIVORRYAFSFGFG-UHFFFAOYSA-N 287.403 3.627 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)Nc1cccc(OCC#N)c1 877169043 DQAGCUYHCLNEPV-KSSFIOAISA-N 296.370 3.777 30 20 CHED C#CCCCCN[C@H]1CCCOc2c(C)cc(C)cc21 773035897 LUBURDHYSGJVHZ-KRWDZBQOSA-N 271.404 3.910 30 20 CHED COCc1cccc(C=NN[C@H]2CCCCC2(C)C)c1 773127231 ZEQYXCUHIGCJBQ-INIZCTEOSA-N 274.408 3.725 30 20 CHED CCCCCCCCCC(=O)N1CCCOC[C@H]1C 773141048 OLYLUHKCLDUTCZ-OAHLLOKOSA-N 269.429 3.765 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CC[C@@H](SC)C1)c1ccccc1 777696607 YGPYYPIXOYPNHM-OAGGEKHMSA-N 289.444 3.747 30 20 CHED Cc1ccc([C@H](C)OC(=O)Cc2ccc(C#N)cc2)cc1 770655440 HOQDYNVHLLTOEI-AWEZNQCLSA-N 279.339 3.714 30 20 CHED C=C1CCC(C(=O)Nc2ccc(C)cc2CN(C)C)CC1 888984428 MULNUOMOCQPNHW-UHFFFAOYSA-N 286.419 3.742 30 20 CHED Fc1cc(Cl)ccc1C=NNc1ccc2[nH]ncc2c1 783523134 CQLMAHSFIKHUBT-UHFFFAOYSA-N 288.713 3.801 30 20 CHED CC[C@H](C)c1nc(-c2cn(CCCC#N)nn2)c(C)s1 887515636 UOSVVTOMHJPILX-JTQLQIEISA-N 289.408 3.527 30 20 CHED Cc1ccccc1COC(=O)[C@@H](CC#N)c1ccccc1 1127974320 JMVACCHBPRDTCI-KRWDZBQOSA-N 279.339 3.736 30 20 CHED C[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccsc1 783747183 WHISZDBPJCBPMT-LLVKDONJSA-N 265.378 3.725 30 20 CHED CCC(=NNCc1ccc(Cl)cc1Cl)c1cn[nH]c1 788991491 MEIUDROFPADYPG-UHFFFAOYSA-N 297.189 3.620 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2ccccc2O[C@@H](C)C#N)o1 780153562 KFWXEXQZNNSTIC-STQMWFEESA-N 298.342 3.621 30 20 CHED c1nc(NN=C2CCC23CCCC3)c2sccc2n1 788719628 BGWYUPOFBXJFSV-UHFFFAOYSA-N 272.377 3.813 30 20 CHED CCCCC[C@H]1CCCN1C(=O)Nc1ccc(C#N)cn1 889230367 WWWFTQBTTYGSQA-AWEZNQCLSA-N 286.379 3.530 30 20 CHED C#CC[C@@H](NC(=O)/C(C)=C(\C)CC)c1ccccc1 780015818 XHASYIRVNGVCKG-FIFPYPGSSA-N 255.361 3.614 30 20 CHED CCCCC[C@](C)(CC)C(=O)N(CC)C[C@H](C)C#N 780378156 YQCIYYXJOMSIEG-ZBFHGGJFSA-N 266.429 3.991 30 20 CHED CC(=NNc1cccc(F)c1)c1cnn(C(C)(C)C)c1C 787152863 DVCZUZHALRWTER-UHFFFAOYSA-N 288.370 3.922 30 20 CHED C#CCC1(C(=O)N2CCC[C@](C)(CC)C2)CCCCC1 788229258 QMBVEEICTYYGCG-KRWDZBQOSA-N 275.436 3.999 30 20 CHED C#CCCCCCC(=O)Nc1ncc(-c2ccccc2)[nH]1 781015955 ZWEQHXFOJLUIQG-UHFFFAOYSA-N 281.359 3.599 30 20 CHED C#Cc1cccc(NC(=S)NCc2cscc2C)c1 782387142 FVPLJBXSIMZFNZ-UHFFFAOYSA-N 286.425 3.524 30 20 CHED COc1cc(C=NNC2CCCCC2)ccc1SC 786042872 BSAZNRJRZWYSME-UHFFFAOYSA-N 278.421 3.673 30 20 CHED CC1(C(=O)OCc2cccc(C#N)c2F)CCCCC1 781268702 LEWRZSGVPFILPO-UHFFFAOYSA-N 275.323 3.711 30 20 CHED Cc1ccc2[nH]cc(C(=O)OCCCC(C)(C)C#N)c2c1 784620690 XSBASOVXGKALFS-UHFFFAOYSA-N 284.359 3.963 30 20 CHED CCCCC[C@H](NC(=O)NCCCC#N)C(C)(C)C 784319227 HBBORNDNOZWMTO-ZDUSSCGKSA-N 267.417 3.584 30 20 CHED CCC(=NNc1ccc(Cl)c(OC)c1)C1CC1 788471767 HIEZORNEDUANEU-UHFFFAOYSA-N 252.745 3.937 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 1132445838 NJMPWMCQLYEXAO-DLBZAZTESA-N 294.329 3.748 30 20 CHED C=Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1 1132219695 PHFWZYMAXSHBGJ-UHFFFAOYSA-N 266.275 3.593 30 20 CHED CC(C)O[C@@H](C=NO[C@@H]1CCCCO1)c1ccccc1 793034559 OSFSGNNPOAGUDR-JKSUJKDBSA-N 277.364 3.682 30 20 CHED CO[C@@]1(C)CCCN(c2cc(Cl)ccc2C#N)CC1 280313655 SMBZBDWWFBLFTJ-HNNXBMFYSA-N 278.783 3.607 30 20 CHED COCCON=CCCc1ccc(-c2ccccc2)cc1 794914276 GOCVSCANUFUTTF-UHFFFAOYSA-N 283.371 3.935 30 20 CHED C#CC[C@H](NC(=O)N(C)C(C)(C)CC)c1ccccc1 798447691 YKGPHCURFYOEOD-HNNXBMFYSA-N 272.392 3.581 30 20 CHED CCCCCCCCS(=O)(=O)c1ccc(C#N)cc1 794921958 BWVYIZYWSVIJPM-UHFFFAOYSA-N 279.405 3.692 30 20 CHED CC1(C)CCN(C(=O)C2(C#N)CCCC2)CC(C)(C)C1 598188875 VIBFVZKYRQKBQE-UHFFFAOYSA-N 276.424 3.745 30 20 CHED N#Cc1ccc(F)c(CN2CCC3(CCCC3)CC2)c1 62953861 VUDZKFKGRFDHCF-UHFFFAOYSA-N 272.367 3.854 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)oc1C)c1ccc(OC)cc1 797947317 QEHHEDYYWVWLSF-MRXNPFEDSA-N 299.326 3.776 30 20 CHED Clc1cccc(NN=Cc2coc(-c3ccccc3)n2)n1 793173741 DHPZMZBQSZOJCF-UHFFFAOYSA-N 298.733 3.836 30 20 CHED CC[C@H](C)NN=CC1CCC(C(F)(F)F)CC1 790190023 MPNGGKKGNFRASG-WHXUTIOJSA-N 250.308 3.729 30 20 CHED Cc1ccc(C(=O)N2CC[C@@H]2c2cccc(F)c2)cc1C#N 799648675 REYMODHXWDBTCU-QGZVFWFLSA-N 294.329 3.593 30 20 CHED Cc1ccc2cc(C(=O)/C=C\c3c(C)cnn3C)oc2c1 794713972 PLZZJQDZJPXTQY-SREVYHEPSA-N 280.327 3.679 30 20 CHED CC(C)[C@@H](C=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 794494419 UAZHACJAMWSBAI-OAHLLOKOSA-N 298.346 3.827 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1cc(C)n(C)n1 799864244 LJPUJGRRJHAYJX-UHFFFAOYSA-N 296.296 3.583 30 20 CHED C=CC[C@@H](NC(=O)N(C)C(C)(C)CC)c1ccncc1 798437749 NUKWWASRSDERQN-CQSZACIVSA-N 275.396 3.529 30 20 CHED CC[C@H](C)CCC(=O)O[C@H](C)c1ccc(C#N)cc1 797098889 GWNCUEBNPJNHPY-QWHCGFSZSA-N 259.349 3.989 30 20 CHED COc1cc(C)c([C@H](C)OC(=O)c2ccc(C#N)o2)cc1C 797100726 WYQJRNYPIYMMFA-LBPRGKRZSA-N 299.326 3.695 30 20 CHED COc1cc(F)ccc1NN=C1CCC[C@@H]1c1ccccn1 794940686 YQBPKIRDSMHFSN-CYBMUJFWSA-N 299.349 3.965 30 20 CHED Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)c(C)n1 94664259 YKRNQBBMRDARRK-LBPRGKRZSA-N 251.333 3.743 30 20 CHED N#Cc1cnc2ccccc2c1NCCCC(F)(F)F 97987407 OQWQDGPMKPMMLX-UHFFFAOYSA-N 279.265 3.861 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CC1(C)C 1310249696 DLCRJJQQNGMZIA-GXTWGEPZSA-N 289.354 3.644 30 20 CHED CCC(CC)N(CC)C(=O)Nc1cc(F)cc(C#N)c1 1311104573 WVEHZWWXNYMHEE-UHFFFAOYSA-N 277.343 3.740 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)/C(=C/c1cccc(O)c1)C2=O 1317752745 QSCBSQDOIPUHJU-HOXUKUGESA-N 280.323 3.790 30 20 CHED CC(C)c1cccc(CNC(=O)c2csc(C#N)c2)c1 1324719623 FPWJXYJJYODREE-UHFFFAOYSA-N 284.384 3.673 30 20 CHED C=CCCN(C)C(=O)c1[nH]c2ccc(C)cc2c1Cl 1320625282 MZWPKHHYAYLNRL-UHFFFAOYSA-N 276.767 3.778 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 1324288077 SULNXIPEUGWTFP-JTQLQIEISA-N 296.248 3.646 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2ccccc2C2CC2)o1 1329112577 GFRSUZYAANSIKG-UHFFFAOYSA-N 286.287 3.616 30 20 CHED N#Cc1cc(=N[C@@H](c2ccccc2F)C2CCCC2)cc[nH]1 1185701255 FXTQYGGCWUCFJG-GOSISDBHSA-N 295.361 3.858 30 20 CHED COC(C)(C)CCNc1c(Br)cccc1C#N 1652144801 WLKVYEVYGUJSIT-UHFFFAOYSA-N 297.196 3.548 30 20 CHED C=C(C)CCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 1338848252 SEBBTQXAZHTQTD-CYBMUJFWSA-N 296.292 3.743 30 20 CHED CSC(C)(C)CC=NNc1ccc(C(C)(C)C)nn1 1261235943 OJMZIGIAYQXILX-UHFFFAOYSA-N 280.441 3.704 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(C(F)(F)F)cc1 1342734126 RYXSWGOSFTUMDN-GXFFZTMASA-N 273.298 3.557 30 20 CHED N#C[C@@H](C(=O)C1(C2CCCCC2)CC1)c1ccccn1 1341932359 XHEJORDUIZKATP-CQSZACIVSA-N 268.360 3.618 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc1C 1343387312 ZRGYSNLWGKPUQN-MXASKKJJSA-N 283.371 3.642 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1ccc(OCC#N)cc1 1350193752 OHNNCHRRCSEVQY-UHFFFAOYSA-N 298.317 3.597 30 20 CHED C[C@@H](CC(=O)O[C@H](CC#N)c1ccco1)c1ccco1 1518002718 WONKMZRAKKRUHI-SMDDNHRTSA-N 273.288 3.564 30 20 CHED C=C(CC)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 1518772241 CSXOYGQVDXUHHQ-UHFFFAOYSA-N 271.282 3.630 30 20 CHED CCC(=O)c1cccc(NC(=O)c2ccc(C#N)cc2F)c1 1518995913 KKJPEGDHNOEFBQ-UHFFFAOYSA-N 296.301 3.542 30 20 CHED CSc1cc(F)ccc1NC(=O)c1ccc(C#N)s1 1529660127 CPDLYSXMSKSNIL-UHFFFAOYSA-N 292.360 3.733 30 20 CHED CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CC1(C)C 1458448037 VTZSUKHNLRZRKZ-JGVFFNPUSA-N 269.801 3.905 30 20 CHED N#CCc1cccc(Nc2ncnc3c(F)cccc23)c1 1458378997 LOIPHKFDEAAOJK-UHFFFAOYSA-N 278.290 3.579 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)Cc2ccccc2F)c1 1460865133 LOWPOCRKDUHVDR-CYBMUJFWSA-N 296.345 3.823 30 20 CHED Cc1cc(C#N)cc(N[C@H](C)CC(C)(C)CC(=O)O)c1 1600074341 ZDCZVJFVPAIHPL-GFCCVEGCSA-N 274.364 3.558 30 20 CHED C=CCCCSc1ccc(-c2nn[nH]n2)cc1Cl 1602839929 MJUFWRPDQLOHNN-UHFFFAOYSA-N 280.784 3.578 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)c1cc(C)ccc1O 1602992423 ZWGCJRZOXSXVHN-UHFFFAOYSA-N 298.342 3.543 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1F 1537237913 SVZXJJUHPHDECX-CJNGLKHVSA-N 288.366 3.786 30 20 CHED Cc1ccc(-c2noc(-c3ccc(C#N)s3)n2)cc1F 226760478 JCSOLHGIVGBPJW-UHFFFAOYSA-N 285.303 3.784 30 20 CHED C[C@@H](C(=O)Nc1cccc(CC#N)c1)c1cccc(F)c1 1545047431 JSIATMQZVUFEFH-GFCCVEGCSA-N 282.318 3.634 30 20 CHED Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1C#N 3506332 KKAFBVMUCZMRNG-UHFFFAOYSA-N 254.245 3.567 30 20 CHED CC(C)(C)c1csc(NC(=O)c2cccc(C#N)c2)n1 3528668 XXAKSNVKDMPWDC-UHFFFAOYSA-N 285.372 3.565 30 20 CHED CC1(C)CCN(Cc2cc(C#N)ccn2)c2ccccc21 1618273474 ITBWMZNQDUZAFB-UHFFFAOYSA-N 277.371 3.641 30 20 CHED CCOc1cccc(F)c1CN(CCC#N)CCC(C)C 1621144925 WBGPBEXMQDQGJG-UHFFFAOYSA-N 292.398 3.986 30 20 CHED Cc1nnc(S[C@@H]2CC[C@H](C#N)C2)n1C1CCCCC1 1559316593 RYILJWYZNHWSQE-GXTWGEPZSA-N 290.436 3.876 30 20 CHED Cc1ccc2oc(Nc3cccc(CC#N)c3)nc2c1 1559192510 ZKBYLPCXBIDPDD-UHFFFAOYSA-N 263.300 3.946 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(C(=O)O)cc1 1589016561 AQEBNPQBNQSSQV-UHFFFAOYSA-N 286.306 3.668 30 20 CHED Cc1cccc2nc(N(CCC#N)CC(C)(C)C)oc12 1650933602 BREGOKZUMQYANH-UHFFFAOYSA-N 271.364 3.902 30 20 CHED N#Cc1cnc(NC[C@H]2CCC[C@@H]2C2CC2)c(Cl)c1 1655567173 OGQZIANLQJIMFM-CHWSQXEVSA-N 275.783 3.845 30 20 CHED C=CCCCCNc1ncc(C(=O)O)cc1C(F)(F)F 1588802706 UTGXCNPSXWHOJD-UHFFFAOYSA-N 288.269 3.567 30 20 CHED CCCCCCCC(=O)Nc1cc(C)cc(C(=O)O)c1 1595705437 ZTEQBAALLWIXQL-UHFFFAOYSA-N 277.364 3.992 30 20 CHED CC1(C)CC(NC(=O)N2CCC[C@@H](C#N)C2)CC(C)(C)C1 1681144394 NLPVRSIRCBJKOJ-ZDUSSCGKSA-N 291.439 3.536 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776061575 CTQUFKSPQJZPEX-SECBINFHSA-N 264.300 3.502 30 20 CHED Cc1cccc(C(=O)/C=C/c2cc(C(=O)O)ccc2F)c1 1776127324 PNUAZGSWRKAIPI-SOFGYWHQSA-N 284.286 3.728 30 20 CHED C=C(Cl)C[C@@H](NCc1ccc([C@@H](C)CC)cc1)C(=O)O 1776142801 LWQZKLLHLUOELS-XHDPSFHLSA-N 295.810 3.886 30 20 CHED N#Cc1ccc(COc2ccc(Cl)cc2)c(F)c1 19804868 MIDPYVCSPAVQSQ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=CCn1c(SCc2nccs2)nc2ccccc21 162227667 SEOVQPCQSWEYCP-UHFFFAOYSA-N 287.413 3.971 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CCC)c1ccc(F)cc1F 155129364 KNMSPULVAYKYKP-IINYFYTJSA-N 282.334 3.680 30 20 CHED CCO[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 154083973 IHRVVNDQBVUIKO-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED N#CC1(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CCCCC1 157344878 YEXTYQQVESSBKN-LSDHHAIUSA-N 274.408 3.545 30 20 CHED C=C[C@@H](C)NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 154215343 VNBWUZPTDPQUDU-UONOGXRCSA-N 259.393 3.994 30 20 CHED C#Cc1cccc(NC(=O)N[C@@](C)(CC)c2nccs2)c1 157959959 CVSZRNBMYYILIM-INIZCTEOSA-N 299.399 3.571 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)CC2CCCC2)CC1 156807417 SPJGQDIENXKXSV-HNNXBMFYSA-N 264.457 3.585 30 20 CHED C=CCCCCCN(C)C(=O)c1ccnc(SC)c1 156866968 DFUWWHUDUGAKDB-UHFFFAOYSA-N 278.421 3.622 30 20 CHED COc1ccc(C#N)cc1COc1ccc(C(C)=O)cc1C 317164829 JWUFKODHKMZMBC-UHFFFAOYSA-N 295.338 3.657 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc1 7333314 AEZOYDAAFPWNAL-VOTSOKGWSA-N 272.325 3.651 30 20 CHED C#Cc1cccc(NCc2cccc3cccnc23)c1 20085188 JMFVRINCHTYQFK-UHFFFAOYSA-N 258.324 3.828 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)CC1 233924243 HAOYTLYOKNVBPO-CQSZACIVSA-N 272.392 3.579 30 20 CHED C=CCCCCCCNC(=O)c1nccc(Cl)c1F 1323281124 ZAWUGFDDDVJSIY-UHFFFAOYSA-N 284.762 3.740 30 20 CHED N#Cc1cc(Cl)ccc1COc1ccccc1F 260811984 NJFUATYBYKLTFE-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1cc2ccccc2o1 285055704 QMXQXLVNPGZDNU-ZBEGNZNMSA-N 270.332 3.550 30 20 CHED CC(C)(C)N1CCC(Nc2ccc(Cl)cc2C#N)CC1 301182868 IIKFULPANABQBP-UHFFFAOYSA-N 291.826 3.886 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1cccc(CC#N)c1 402694625 GXCGMJGMRHXXMJ-LLVKDONJSA-N 284.281 3.670 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(Br)cc(C)c1O 309566909 MMNKKMXFTJDUJQ-UWVGGRQHSA-N 284.197 3.688 30 20 CHED C=C(CC)CN[C@@H](CC)c1ccc(OC)c(OC)c1 313488404 QIVYKHDMKBJLNL-AWEZNQCLSA-N 263.381 3.711 30 20 CHED CCC[C@H](CNc1ccc(Br)cc1C#N)OC 383244922 DEKWOANBYCITGU-GFCCVEGCSA-N 297.196 3.548 30 20 CHED N#CCC1CCN(CCCCc2ccccc2)CC1 397228103 OQXZTQXGXOBXDA-UHFFFAOYSA-N 256.393 3.635 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)OCCCF 841515461 AWYOMMZPVFEJRR-UHFFFAOYSA-N 265.328 3.561 30 20 CHED N#Cc1cccc(NC(=O)CCn2ccc3ccccc32)c1 8135421 PWVDEWAGQYZELQ-UHFFFAOYSA-N 289.338 3.542 30 20 CHED Cc1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1C 107906318 GWFCDIFBCWOFGP-UHFFFAOYSA-N 295.386 3.984 30 20 CHED CN(Cc1ccccc1C(C)(C)C#N)C1CCCC1 178511259 XXTZBLXQINGVNO-UHFFFAOYSA-N 256.393 3.862 30 20 CHED C=C(Cl)CN(C)CCCc1cc(-c2ccccc2)no1 101729911 RSYRFEDWRFFBPL-UHFFFAOYSA-N 290.794 3.959 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 119373757 HZIJDBXSJKWYAL-KYOSRNDESA-N 290.794 3.847 30 20 CHED CC1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 176798924 WRBRQPGQTPVYBS-UHFFFAOYSA-N 277.755 3.523 30 20 CHED CCCCCCC[C@@H](C)NCC1CCN(C)CC1 105926479 OVSHKUYZSGZFSB-OAHLLOKOSA-N 254.462 3.667 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1ccc(F)cc1Cl 301277021 MJLNLOCAVTWIAV-VIFPVBQESA-N 275.714 3.919 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1[C@@H]1C=CCCC1 464812461 KTALXDLCGMKWAQ-KZNAEPCWSA-N 266.388 3.867 30 20 CHED COC(=O)c1ccc(/C=C2\CCc3ccc(C)cc3C2=O)o1 179071435 UCJXHFKUOFRVHH-JLHYYAGUSA-N 296.322 3.587 30 20 CHED CCS[C@@H]1CCCCN(c2ccc(Cl)c(C#N)n2)C1 301220473 BBMRCBWPYAARRH-LLVKDONJSA-N 295.839 3.719 30 20 CHED C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1ccc(C#N)cc1 26127294 JOWCDLVSTAXCAS-CQSZACIVSA-N 292.382 3.713 30 20 CHED Cc1ccc(OCCCCNc2cccc(C#N)n2)cc1 301256756 DOZMVZFLIOQZOH-UHFFFAOYSA-N 281.359 3.533 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H](Nc2ccccc2)C1 174841894 UNIUKPSLQRWQPP-MRXNPFEDSA-N 271.408 3.503 30 20 CHED CC(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 68824785 ZVVPNAFATJVDFE-UHFFFAOYSA-N 280.327 3.945 30 20 CHED C#CC[C@@H](OC(=O)c1cc(C)c(C)s1)c1ccccn1 170805873 NZADBAVTVCMSAS-CQSZACIVSA-N 285.368 3.681 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H]2CC=CCC2)c1 66463664 UIHNLULOTMFFPB-AWEZNQCLSA-N 271.360 3.936 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1Cl 124574058 UBRZDHDXJFXYMF-GHMZBOCLSA-N 299.773 3.638 30 20 CHED Cc1cccc([C@@H](C)Nc2cccc(C#N)n2)c1C 301272997 KXEKTCPSZHOXNI-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#Cc1ccsc1C(=O)Oc1cccc2ccccc12 127968327 RANISQLHAJSNLX-UHFFFAOYSA-N 279.320 3.992 30 20 CHED COc1cc(CN(C)c2ccc(C#N)cc2)ccc1SC 301130330 XLVJGUCRXOPVNQ-UHFFFAOYSA-N 298.411 3.925 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 121050300 BCQXVBUMTBAKJR-VMPITWQZSA-N 294.276 3.643 30 20 CHED Cn1cc(C(=O)/C=C/c2csc3ccccc23)cn1 68395637 YZLRRAGMIRZDBX-VOTSOKGWSA-N 268.341 3.531 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1F 308072951 CFGJEODFMDSAEH-CYBMUJFWSA-N 298.342 3.525 30 20 CHED CC(C)(C)c1nccc(Sc2cccc(C#N)c2)n1 301629589 IGIKHMYJVMNSPA-UHFFFAOYSA-N 269.373 3.797 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(CCO)cc1)c1ccccc1 124569838 JEBBGCIJRFBLMD-MRXNPFEDSA-N 295.382 3.520 30 20 CHED C=CCN(Cc1ccc(C#N)cc1)Cc1cccs1 78955447 FTJMQWYPPOZWQZ-UHFFFAOYSA-N 268.385 3.808 30 20 CHED Cc1ccsc1CCCC(=O)N(CC#N)C1CCCC1 124564939 WHVPRRURCGRQEI-UHFFFAOYSA-N 290.432 3.674 30 20 CHED Cc1ccccc1[C@H]1CN(c2cccc(F)c2C#N)CCO1 78367365 JVGUKRFCFQGAQO-GOSISDBHSA-N 296.345 3.584 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCOCc1ccccc1 187713804 AWTRQJQTWNKHCC-MRXNPFEDSA-N 294.398 3.768 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 188474573 LABMIIFHYZJJTK-KSSFIOAISA-N 297.402 3.652 30 20 CHED CC(C)C[C@H]1CCCCCN1CCCSCC#N 74991372 QYLQYRFNQNSQBA-OAHLLOKOSA-N 268.470 3.924 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OC(C)C)cc1F 185351177 CUHZTGXZRNJVKT-UHFFFAOYSA-N 277.339 3.601 30 20 CHED CCC(CC)[C@H]1C[C@@H](NCc2ccc(C#N)cc2)CCO1 180374493 SBQMEOXPAMOUAS-ZWKOTPCHSA-N 286.419 3.632 30 20 CHED Cc1nc(N2CCCc3ccccc3C2)c(Cl)cc1C#N 314442027 ASPZICHCTTWTPZ-UHFFFAOYSA-N 297.789 3.868 30 20 CHED C=C(C)CN(CC)CC(=O)Nc1sc(C)c(C)c1C 75617714 FEBRFIQUPWPYDD-UHFFFAOYSA-N 280.437 3.510 30 20 CHED C=CC1CCN(C(=O)NC[C@@H](CC)CC(F)(F)F)CC1 413897244 CHXUJBXHJJQJMU-LBPRGKRZSA-N 292.345 3.573 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2CC=CCC2)CC1 187297155 LWYFNRXXCMIQNU-SYJJWHGVSA-N 288.435 3.958 30 20 CHED CCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1 120205914 HRZQHHSHLTYJJN-CYBMUJFWSA-N 298.361 3.947 30 20 CHED C=C(C)CCc1noc(CCCOc2ccccc2C)n1 508624097 DCLUFNNJPBZIDJ-UHFFFAOYSA-N 286.375 3.898 30 20 CHED N#Cc1ccnc(SCCC(Cl)(Cl)Cl)c1 185986527 UOLIPJUFASBJAA-UHFFFAOYSA-N 281.595 3.806 30 20 CHED N#CCCSCC(=O)Nc1c(Cl)cccc1Cl 413017294 YRFLWJKZSLDPED-UHFFFAOYSA-N 289.187 3.579 30 20 CHED Cc1cc(OCC2(C#N)CCC2)c(Cl)cc1[N+](=O)[O-] 450960702 NFBVDHKUAVOACJ-UHFFFAOYSA-N 280.711 3.629 30 20 CHED CC[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@H]1CC1(C)C 416718639 DPSJCRXNCLOPFP-CVEARBPZSA-N 299.418 3.524 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)COC(C)C 414539483 SEBRONCTILREDZ-WBVHZDCISA-N 261.409 3.577 30 20 CHED CCCC[C@@H]1CCC[C@H]1NCCCSCC#N 184706429 AJPNQZARPZKMOT-ZIAGYGMSSA-N 254.443 3.582 30 20 CHED C=CCN(CC=C)C/C(C)=C/c1ccccc1COC 506865215 DSZQFKRLWVHOAP-DTQAZKPQSA-N 271.404 3.910 30 20 CHED C[C@@]1(Cc2ccccc2)CCCN1CCCCC#N 186047157 WYWVRUMKAVNMJF-KRWDZBQOSA-N 256.393 3.777 30 20 CHED C#CCCN[C@H](CC)c1ccc(Br)cc1 70191031 FIUOGRFGEFHWGU-CYBMUJFWSA-N 266.182 3.513 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1cc2ccccc2o1 79321958 XXACGCKPTIBWCW-ZDUSSCGKSA-N 287.359 3.593 30 20 CHED C=CCCCN(C)CCOc1ccc(Br)cc1 523009715 HSYMKHVQGAUXFT-UHFFFAOYSA-N 298.224 3.726 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@@H](C)Sc1ccccc1 74822772 DEPFLJGGQOPOGY-CQSZACIVSA-N 292.448 3.775 30 20 CHED CCCCCCC(=O)Nc1nc(C)c(SCC#N)s1 131287638 VZRFULAZHQBCLV-UHFFFAOYSA-N 297.449 3.976 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)c(C)o1 135790204 AWRWIAIYIUDBRR-UHFFFAOYSA-N 294.354 3.597 30 20 CHED C[C@H](Cc1ccsc1)Nc1ccc(C#N)cc1F 49184356 RAUACLNBZJGQEZ-SNVBAGLBSA-N 260.337 3.802 30 20 CHED Cc1nc(-c2cccc(OCCCC(C)(C)C#N)c2)no1 135488152 MCAYKGGIXMQHKJ-UHFFFAOYSA-N 285.347 3.754 30 20 CHED CCCC[C@H](CC)CNC(=O)Cc1c(F)cccc1C#N 505213189 IQICSFWDUDALFI-ZDUSSCGKSA-N 290.382 3.572 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)COc2c(F)cc(F)cc21 195651253 CWSDCFFTXUHKRJ-YHYXMXQVSA-N 290.240 3.763 30 20 CHED Cc1cc(C)c2nc(N=C(O)C[C@H]3CCOC3)sc2c1 329775055 IZTPMKDRORLWGT-LLVKDONJSA-N 290.388 3.928 30 20 CHED N#CCC1(CN[C@@H]2CCCCc3ccccc32)CC1 429782468 IPSOBKWVRLAVEY-MRXNPFEDSA-N 254.377 3.738 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 135049691 FGQKYFGVLVCNPY-OAHLLOKOSA-N 294.326 3.545 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)CC 420878706 NVMVORCZLTVRGT-CQSZACIVSA-N 287.407 3.526 30 20 CHED CCCCCC(C)(C)C(=O)NCc1cccc(C#N)c1 84523979 FTVMQTCUJLMBKX-UHFFFAOYSA-N 272.392 3.781 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1 328732565 HFCFMDGFYUUXTN-LHEWDLALSA-N 278.396 3.523 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1ccccn1)c1ccc(F)cc1 194587423 BBSOJVKJGLGJSX-HBIYDYFMSA-N 280.302 3.500 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2c2cncc(C#N)n2)cc1 420617127 UKJYZZCIJDWZHJ-KRWDZBQOSA-N 292.386 3.813 30 20 CHED CC(C)Oc1cccc(CN(CCC#N)CC2CC2)c1 81043979 WKUUKVFHERGMLP-UHFFFAOYSA-N 272.392 3.599 30 20 CHED COc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)c(F)c1 424317835 CIQYHCQUEPDZPB-PPHDSNJXSA-N 288.366 3.567 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)C2CCCCC2)c(C)c1 46929950 CGCGMAJSUARCSO-UHFFFAOYSA-N 295.404 3.529 30 20 CHED Cn1cc(C(=O)OCC(C)(C)CCC#N)c2ccccc21 195061852 BSOFICBNOGXZLP-UHFFFAOYSA-N 284.359 3.665 30 20 CHED CCCc1nc(C)c(C(=O)Nc2ccccc2CC#N)s1 339174614 OLSVIESVKNUBQL-UHFFFAOYSA-N 299.399 3.722 30 20 CHED C[C@H](NCCCCC#N)c1ccccc1Br 88162725 ZJOFGZBEXBGJSB-NSHDSACASA-N 281.197 3.794 30 20 CHED Cc1cc([C@H](C)NC(=O)c2cccc(C#N)c2C)ccc1F 510200733 NMGLLTZXXLFNLJ-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED CCC(CC)CN(CCC#N)CCSC(C)C 338304091 GIIMLIIUFFFONX-UHFFFAOYSA-N 256.459 3.780 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCCC1(C)C 425497927 XNRUURZAAUOSKH-XJKSGUPXSA-N 299.418 3.839 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccccc1C#N 194590156 HJJOSSOGQKJFEU-VQHVLOKHSA-N 265.287 3.902 30 20 CHED C=CCCCCCn1ccnc1[C@H](O)c1ccc(F)cc1 195423824 RULDIFCYJLVEAS-MRXNPFEDSA-N 288.366 3.850 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)C2(C#N)CCC2)C1 333989184 IUTBFXICKHGSOC-BHYGNILZSA-N 296.414 3.769 30 20 CHED N#Cc1ccc(CNC2CC(c3ccccc3Cl)C2)o1 339587800 MSMGQWUQELFBPL-UHFFFAOYSA-N 286.762 3.840 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 424574894 XBYQUNWDAQLTOZ-UHFFFAOYSA-N 294.782 3.839 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)Cc1ccccc1C 429887276 KLFUXZWYQHEJLC-CQSZACIVSA-N 259.393 3.645 30 20 CHED C[C@H](C(=O)N1CCC(CC#N)CC1)c1ccc(Cl)s1 336357515 MMRYQWJMVYQNEQ-JTQLQIEISA-N 296.823 3.657 30 20 CHED C=CCCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 338627720 XCWRSWIBXCLCOG-UHFFFAOYSA-N 297.383 3.968 30 20 CHED N#CCC1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 335414032 AJCHLLRFIZWDHL-UHFFFAOYSA-N 295.745 3.637 30 20 CHED C=CCCCCSc1nnc(-c2ccccn2)n1CC 517011290 ZVGDNEBIDDLTCY-UHFFFAOYSA-N 288.420 3.808 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1Nc1ncccc1C#N 435602554 VXUKFTGPVIXVHX-HZPDHXFCSA-N 287.407 3.739 30 20 CHED CCCC1CCC(N(C)C(=O)NCC2(CC#N)CC2)CC1 431213742 ZNSLSTFDEOYASW-UHFFFAOYSA-N 291.439 3.681 30 20 CHED Cc1ccc(C(=O)N(C)C2(C#N)CCC2)cc1C(F)(F)F 528169077 IQMJUXOPCXOJFK-UHFFFAOYSA-N 296.292 3.532 30 20 CHED CCOCc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 340173495 HFBDKENWZSMZHH-UHFFFAOYSA-N 294.354 3.541 30 20 CHED CC1(C)C(C(=O)N[C@@H](CCC#N)c2ccccc2)C1(C)C 439661733 OKRUNHQPGVMUHU-AWEZNQCLSA-N 284.403 3.830 30 20 CHED C=CCCOCCCCC(=O)N(C)c1cccc(C)c1 342835555 OPDUHDYOAKEHQK-UHFFFAOYSA-N 275.392 3.721 30 20 CHED C=CCSCc1nc2c(F)cccc2n1CC 341902933 PTRTWQPPLYEHQX-UHFFFAOYSA-N 250.342 3.615 30 20 CHED C=CCCCSc1nc2ccccc2n1CCOC 522748359 AQUXLYNLRAFGAP-UHFFFAOYSA-N 276.405 3.741 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2ccco2)cc1 255134322 RTGLWPPSRBATTB-YFHOEESVSA-N 256.301 3.963 30 20 CHED N#Cc1cc(F)c(NC[C@@H]2CCc3ccccc32)c(F)c1 521370737 HJYHFVKYTJAAMR-ZDUSSCGKSA-N 284.309 3.978 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1ccsc1 255076909 KAAPYWQADLMEDL-PLNGDYQASA-N 250.269 3.922 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1ncc2ccccn12 604075791 KKSHOEYXEMDTPQ-OAHLLOKOSA-N 279.368 3.561 30 20 CHED C=CCOCCCN[C@@H](C)c1cccc(N2CCCC2)c1 348022390 AIMVNKABWLLKSN-INIZCTEOSA-N 288.435 3.530 30 20 CHED N#CCCCOc1cccc(NCc2ccccc2C#N)c1 604008839 PHJHZYRKCNQGSQ-UHFFFAOYSA-N 291.354 3.853 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(SC)c(F)c2)cn1 255132684 IQHOTZKDGBGKHL-XQRVVYSFSA-N 290.363 3.660 30 20 CHED CCOC(=O)[C@H](CC)S[C@@H](C#N)CCc1ccccc1 601078184 HTOUAQBLUNFCMQ-CABCVRRESA-N 291.416 3.586 30 20 CHED C/C=C/COc1ccc(CC[C@@H](C)NCCCC#N)cc1 346835200 ONEGBAHXRUCBDX-QDLOVBKTSA-N 286.419 3.856 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(F)cc2OCC2CC2)C1 442858990 ULVBAAWVNZBRDC-TZMCWYRMSA-N 274.339 3.719 30 20 CHED C/C(=C/C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1Cl 254925145 BJHUVPCBJIKDMW-CKDIWJPDSA-N 290.794 3.798 30 20 CHED CCCCCn1cc(CN[C@H]2CCC[C@@H](C#N)C2)c(C)n1 447589318 XMORZFFEJIGKQV-WBVHZDCISA-N 288.439 3.554 30 20 CHED Cc1cc(CN[C@H](C)CCc2ccc(O)cc2)ccc1C#N 443980693 RTWHYCJINQYNLY-OAHLLOKOSA-N 294.398 3.683 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(F)c(C(C)=O)c1 354164454 ARCCXCSVZSYVHW-UHFFFAOYSA-N 263.312 3.569 30 20 CHED N#CCCCOc1cccc(NC(=O)[C@@H]2CC23CCCC3)c1 353766146 JIDDITIYJAYBDN-INIZCTEOSA-N 298.386 3.888 30 20 CHED CC1(C)CCCN(Cc2cnc(C3CCC3)s2)[C@@H]1C#N 446975204 PXIKCAAPEJMZEN-CQSZACIVSA-N 289.448 3.925 30 20 CHED C=CCCCCCN(C)Cc1ccsc1C(=O)OC 532290987 DCRLXQJSNMQHGS-UHFFFAOYSA-N 281.421 3.713 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)CCC#N)c1cccs1 351671844 KUJWVXDUXFXJRQ-LBPRGKRZSA-N 293.436 3.828 30 20 CHED N#CCN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 354196320 OINFWBVAGOWTSR-UHFFFAOYSA-N 292.338 3.607 30 20 CHED CCC[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 612636105 NASXIDSVBLMYTJ-PBHICJAKSA-N 299.418 3.983 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc2ccccc2[nH]1 610619717 LGPLRJDGHCSXQR-UHFFFAOYSA-N 275.355 3.672 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N(Cc1ccccc1)CC(C)(C)C 448914825 SUCBSMXLLLFYBO-KDOFPFPSSA-N 284.403 3.611 30 20 CHED C=C(C)COc1cccc(NC2CCC(C(=O)O)CC2)c1 263453042 GSCUTNKNKSMMLA-UHFFFAOYSA-N 289.375 3.697 30 20 CHED C=C(CC)CNc1ccc(C(=O)NC(C)C)c(C)c1 358663993 JYYNWIKEXHHPQK-UHFFFAOYSA-N 260.381 3.511 30 20 CHED CC(C)c1nc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cs1 263675493 NFJIRPRXAOHFNO-LLVKDONJSA-N 299.399 3.629 30 20 CHED CCCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 443459878 HUMWLPJGONWTAV-SNVBAGLBSA-N 276.405 3.873 30 20 CHED CC(C)[C@@H](C(=O)NCC(C)(C)C#N)c1cccc(Cl)c1 611693508 MSNIGYHEFKWQOD-CQSZACIVSA-N 292.810 3.746 30 20 CHED CC(C)CN(c1ccc(C(F)(F)F)c(C#N)n1)C1CC1 443509305 IQUHDILILLPXBH-UHFFFAOYSA-N 283.297 3.597 30 20 CHED Cc1cccc([C@H](NCCCCC#N)C(F)(F)F)c1 357823682 UBLPRAGWWAHLSS-ZDUSSCGKSA-N 270.298 3.882 30 20 CHED C=C(CC)CNc1ccccc1C(=O)NCc1ccco1 358666064 ODULDIUUOVYYDF-UHFFFAOYSA-N 284.359 3.588 30 20 CHED C=CCCOCCNC(=O)[C@@H](CC(C)C)c1ccccc1 534571454 HORSMCOVGYUVFB-KRWDZBQOSA-N 289.419 3.525 30 20 CHED C=CCCCNC(=O)N1CCC[C@@H]1c1ccc(C)s1 448042667 KDEJNFBLNDYGCW-CYBMUJFWSA-N 278.421 3.869 30 20 CHED CC(C)CCN(CC#Cc1ccc(F)cc1)C1CC1 446764082 CUXLGARNDWGRNW-UHFFFAOYSA-N 259.368 3.688 30 20 CHED N#Cc1ccc(NC[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] 357260110 HJQWFJSPJRJQQH-CQSZACIVSA-N 293.326 3.608 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)NCC(C)(C)C#N 611688141 IKPCMAUWJLIQFT-CQSZACIVSA-N 264.413 3.649 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CO[C@@H]1CCC[C@@H](C)C1 530348190 PXYUHNWPSDDRJG-HUUCEWRRSA-N 294.439 3.513 30 20 CHED COc1cc(C)c([C@@H](C)N2CCC(C)(C#N)CC2)cc1C 614964048 UCEMKBXJQKIQDO-OAHLLOKOSA-N 286.419 3.999 30 20 CHED C=CCCCC[C@@H](C)NCC[C@@H]1C[C@H]2CC[C@H]1O2 459660175 DQTKFRSRVDSVGY-KLHDSHLOSA-N 251.414 3.669 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2)C1 617779247 XQGAXBQOJQHWPV-DOTOQJQBSA-N 271.404 3.680 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](c1ccccc1)C(F)F 455666385 ZZUYNFMFQUGJRP-KGLIPLIRSA-N 294.345 3.743 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CCC1 450978879 GOXNPXOQFNDFAZ-KURKYZTESA-N 280.415 3.948 30 20 CHED CC(C)[C@H](C)C(=O)Nc1ccc(CC#N)cc1Cl 452648151 RMTYPGWSDQFDNI-JTQLQIEISA-N 264.756 3.637 30 20 CHED CC[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C1CCCC1 456649042 BZRVBGVKGHRSSF-MSOLQXFVSA-N 298.430 3.844 30 20 CHED C=C[C@H]1CCCCN1C(=O)CSCc1ccc(F)cc1 618758827 AXAKRELLBMYYLA-HNNXBMFYSA-N 293.407 3.626 30 20 CHED CC(C)C[C@]1(C)CCCN1CCCC1(C#N)CCOCC1 451285851 CDXBNJDBIMCUMO-KRWDZBQOSA-N 292.467 3.988 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1cccc(CC#N)c1 455902307 GNEBMZZFDHSEFJ-GJZGRUSLSA-N 285.391 3.700 30 20 CHED C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1C 456006877 CKXFZZDBDUCYSJ-GJZGRUSLSA-N 298.430 3.631 30 20 CHED C=CCN(CCOC)C(=O)Nc1cc(C)cc2ccccc12 455733471 FOPFCYGVYZAEKF-UHFFFAOYSA-N 298.386 3.815 30 20 CHED C=CCN(C)C(=O)Nc1ccc2oc(C)c(C)c2c1 275235693 NRPAKSQFFZJVFO-UHFFFAOYSA-N 258.321 3.699 30 20 CHED CO[C@@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)C(C)C 360656534 IMXGTJBDYAEMPU-MSOLQXFVSA-N 286.419 3.586 30 20 CHED C[C@H]1C[C@@H](NCC(C)(C)CC#N)CCN1Cc1ccccc1 459726288 DSWKYXIBOQIJCJ-WMZOPIPTSA-N 299.462 3.569 30 20 CHED C[C@]1(CCc2ccccc2)CCN(CCCC#N)C1 361824913 HWRFZBATUQWKKV-KRWDZBQOSA-N 256.393 3.635 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H]2CCCF)cc1F 453377560 IQHXOQIGPJWMRE-XJKSGUPXSA-N 278.346 3.705 30 20 CHED C=C(C)CCN(Cc1nc(O)c2ccccc2n1)[C@H](C)CC 274760714 DKDDZTSCCCFWJF-CQSZACIVSA-N 299.418 3.902 30 20 CHED C[C@H](NC(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)cc1 457454933 KBXUERDGTKXHAI-NSHDSACASA-N 293.798 3.592 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](Oc2ccccc2)C1 364070256 CDQSSRIRNKLJMP-WBVHZDCISA-N 287.403 3.659 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H](C[C@H]2CCOC2)C1 369367743 CGIYJNPHJBGEKY-IAGOWNOFSA-N 292.467 3.845 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCc2c(Cl)cccc21 276012043 AZTLHZNILMQJPH-CQSZACIVSA-N 278.783 3.545 30 20 CHED N#Cc1cccc(NCc2ccc(-c3ccncc3)cc2)n1 369398620 PAJWUSASOFZFQV-UHFFFAOYSA-N 286.338 3.627 30 20 CHED FC(F)(F)c1ccc(C#CCN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 459779226 MHLAIAOGLLRLQX-VNQPRFMTSA-N 293.332 3.835 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(C)c(Cl)c1 627327309 UOWZGBDJUUCZSW-ZDUSSCGKSA-N 292.810 3.649 30 20 CHED C=CCCO[C@H](C)c1nc([C@H](C)SCC)no1 273940443 MLBQLQRSERXLJJ-ZJUUUORDSA-N 256.371 3.537 30 20 CHED CN(CC1CCCC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 455182273 OHSSOHHXVZJKHW-UHFFFAOYSA-N 298.430 3.776 30 20 CHED CCC[C@H](NC(=O)c1cccc(CC#N)c1)C(C)(C)C 452661718 KNMFQPPIXFSXBZ-HNNXBMFYSA-N 272.392 3.697 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 458371430 AQVVYZMIMONZND-CVEARBPZSA-N 299.418 3.514 30 20 CHED C=CCN(C(=O)Nc1cccc(SC)c1C)C1CC1 271668798 GCTGWGDWNUYRIR-UHFFFAOYSA-N 276.405 3.899 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CCC[C@H]2CC)s1 460018626 JHITZDBAEDKUFI-ZWNOBZJWSA-N 276.405 3.947 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 465100748 CPTWZJNTUSKTEN-NXEZZACHSA-N 286.202 3.863 30 20 CHED C=CCC[C@@H](NCCOc1ccccc1C)C1CC1 540191242 NSNKPWUPXRPBPP-MRXNPFEDSA-N 259.393 3.708 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 545876047 VXGMQBSRTWXFBY-MGPQQGTHSA-N 290.382 3.726 30 20 CHED C[C@@H](C(=O)N1CC[C@@H](C)C2(CCC2)C1)c1cccc(C#N)c1 462606244 YXZCEQXZKWYCEM-HUUCEWRRSA-N 296.414 3.700 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCO[C@H](CC(C)C)C1 540779228 MWDARBLJPAMIJE-ARFHVFGLSA-N 253.430 3.915 30 20 CHED Cc1cc([C@@H](C)Nc2cccc(OCCCC#N)c2)nn1C 282490038 HQVAYOFLAONDQK-CQSZACIVSA-N 298.390 3.584 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](C)[C@H]1C 460552502 OJADMNZXSIHZFJ-LSDHHAIUSA-N 296.418 3.756 30 20 CHED CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC)CC[C@@H]1c1ccccc1 552068958 WUHGOSRLCFLWEJ-HHXXYDBFSA-N 298.430 3.969 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 283808667 IBTXCJFIEPEQTO-GHMZBOCLSA-N 286.400 3.649 30 20 CHED CC(C)CN(C(=O)c1ccc(F)c(C#N)c1)C1CCCC1 284242236 JUVOLZXDXTXOPH-UHFFFAOYSA-N 288.366 3.738 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCc2c1cccc2C(F)(F)F 286222012 XQSVGJZOTDXRQS-AWEZNQCLSA-N 296.292 3.534 30 20 CHED C=CCC[C@@H](N[C@@H](CO)Cc1ccc(C)cc1)c1ccco1 552283863 LSCLDPGSJAGTGA-QZTJIDSGSA-N 299.414 3.789 30 20 CHED CC[C@H](CC#N)N[C@H]1CCC[C@H](c2ncccc2C)C1 281182171 HTXPGDQFRLSYHY-XHSDSOJGSA-N 271.408 3.698 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(SC)c1 466329347 ZEXLRDPPGITFDF-LLVKDONJSA-N 264.394 3.885 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(-c2ccncc2)cc1 552923028 FAXZDNNINGADAJ-MRXNPFEDSA-N 296.414 3.992 30 20 CHED N#CCc1cccc(C(=O)OCCc2ccccc2Cl)c1 805406351 GGIUNBVLUASMMP-UHFFFAOYSA-N 299.757 3.806 30 20 CHED C=CCCC1(C(=O)N(C)CCOc2cccc(C)c2)CC1 474405884 DSRHIWDHJXUKKD-UHFFFAOYSA-N 287.403 3.579 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1nc(Cl)c(C#N)s1 804505505 YUQQTJKSHACGTF-RISCZKNCSA-N 289.791 3.810 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc(Br)cc1F 298467471 IKVSHKPYEGKYNH-VHSXEESVSA-N 299.187 3.931 30 20 CHED Clc1oc2ccccc2c1C=NN[C@@H]1CCSC1 808000479 NXNIDWQWGRBBQM-SECBINFHSA-N 280.780 3.515 30 20 CHED N#C[C@H]1CC[C@H](N2CCn3c(cc4ccc(Cl)cc43)C2)C1 293974659 DGODYJSBMBKQFC-WFASDCNBSA-N 299.805 3.803 30 20 CHED C#Cc1ccc(CN[C@@H](CC)c2ccc(OC)cc2)cc1 809602635 UOXLIEJXNDXYHL-IBGZPJMESA-N 279.383 3.917 30 20 CHED Cc1c(C(=O)NC2(C#N)CCC2)oc2c(Cl)cccc12 299493671 HNVPVFARICKWAC-UHFFFAOYSA-N 288.734 3.571 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](C(C)(C)C)CC1 473840488 APZNKJUWKOGDQA-MAUKXSAKSA-N 295.467 3.890 30 20 CHED CC[C@H]1CN(C(=O)CCCC#N)CC[C@H]1c1ccccc1 292178514 PZFUEGRQQBUBLJ-DOTOQJQBSA-N 284.403 3.723 30 20 CHED CC#CCCCc1nc(Cc2cccc(F)c2Cl)no1 809413129 NNJZYSOKKSSWMY-UHFFFAOYSA-N 292.741 3.799 30 20 CHED Cc1cc(C)cc(COC(=O)CCCCCC#N)c1 805696800 MIFWLIFXCLUAQL-UHFFFAOYSA-N 259.349 3.821 30 20 CHED C=CCc1cc(CNC[C@H]2CC[C@H](C)C2)cc(OC)c1O 475564579 URMQTDFVNLNJGL-KBPBESRZSA-N 289.419 3.655 30 20 CHED C=CCCCCN[C@@H](CCOC)c1ccc(C)o1 566837537 MYKYJVRWZRCURO-AWEZNQCLSA-N 251.370 3.612 30 20 CHED CC(C)Oc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1C#N 560194413 RTCWOFFWJATCPA-HEHGZKQESA-N 298.386 3.720 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](c2ccc(F)cc2)C1 472852635 NKAMZVPXLDHVNJ-HNNXBMFYSA-N 290.382 3.681 30 20 CHED C#Cc1cncc(C(=O)N2CCCC3(CCCCC3)CC2)c1 807362004 LWGVZZMUDFODES-UHFFFAOYSA-N 296.414 3.640 30 20 CHED CC(=NNCC1CCCC1)C1CCC(F)(F)CC1 808006707 YQQCOSMNGQFSEN-UHFFFAOYSA-N 258.356 3.968 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccc(Cl)c(F)c1 299648449 KUDPIILCCAUKOK-JTQLQIEISA-N 254.736 3.603 30 20 CHED C#C[C@@H](NC(=O)CC1CC(c2ccccc2)C1)C(C)(C)C 807879569 YLNGGKSONWITEJ-BDVYOWHSSA-N 283.415 3.734 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)s1)[C@H](C)c1ccccc1 487800470 QZNDPQLDLGAARH-NWDGAFQWSA-N 284.384 3.542 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2C)cc1O 811698522 LHYRTKZUWAJDBA-CLFYSBASSA-N 268.312 3.605 30 20 CHED CC(=NOC1CCC1)c1nc2ccccc2n1C(F)F 812235092 LEHIFLPFXPGUNO-UHFFFAOYSA-N 279.290 3.725 30 20 CHED C=CCC(F)(F)C(=O)OCC[C@@H](C)OCc1ccccc1 815314232 KZJRDXGFKPJOKH-CYBMUJFWSA-N 298.329 3.736 30 20 CHED CSC[C@](C)(C#N)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 568862004 FJDYDEDDSSKEBT-IOASZLSFSA-N 296.480 3.600 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](CSC)C1 489838429 DHQZVSRKSNMFGJ-UONOGXRCSA-N 284.469 3.516 30 20 CHED C=C[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2F)s1 658334916 FQDGRAGIWQDGJV-NWDGAFQWSA-N 291.391 3.752 30 20 CHED CC(C[C@@H]1CCC(=O)N1)=NNc1c(C)cccc1C(C)C 812232481 ICFZVKQVGGLOBU-AWEZNQCLSA-N 287.407 3.575 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](C)c1cc(C)sc1C 810089423 NUXFKYJSHRYDHA-ZDUSSCGKSA-N 297.423 3.766 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1ccccc1Cl 578544241 NOXUKOXAFKASPB-LBPRGKRZSA-N 281.783 3.674 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1c[nH]nc1C 814796848 SGILRZJTZXCAJC-UHFFFAOYSA-N 283.162 3.861 30 20 CHED C=CCOCC(=O)N1CCC[C@H]1CCC1CCCCC1 488268012 QXWGJYAZASOTHY-INIZCTEOSA-N 279.424 3.541 30 20 CHED C=C[C@@H](CC(=O)NC1(C)CC=CC1)c1ccccc1 654012371 YYJSRXGKIKWQQQ-AWEZNQCLSA-N 255.361 3.571 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)C[C@@H](C)C#N 488483572 JAEZELFZFCJHRC-CFVMTHIKSA-N 284.403 3.594 30 20 CHED C=CCCCCCN1CCN(C(C)(C)CC)CC1 653810626 LCMVNSZLFWZONO-UHFFFAOYSA-N 252.446 3.539 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc2oncc2c1 814904818 AFRRPMSHFYYVRL-UHFFFAOYSA-N 269.279 3.721 30 20 CHED N#C[C@@H](C(=O)C1(F)CCCCC1)c1nc2ccccc2o1 810536690 SOIHPTCDUGAJFT-NSHDSACASA-N 286.306 3.676 30 20 CHED COCc1cccc(/C=C2\Cc3ccc(C#N)cc3C2=O)c1 811694471 QZGGNSVGLNOZST-CAOOACKPSA-N 289.334 3.527 30 20 CHED CC(=NOC/C=C/Cl)c1nccc2ccccc12 811668674 JAGFUAOJVBQQLI-AGZRJRRYSA-N 260.724 3.728 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(C#N)s1)C1CC1 487281215 SUXYEUVFBTUDOW-WDEREUQCSA-N 276.405 3.659 30 20 CHED COc1ccc(F)cc1/C=C1/CCc2ccc(O)cc2C1=O 812242713 UGTHBWZIXYCNDK-WQLSENKSSA-N 298.313 3.752 30 20 CHED CCC[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)C 482416723 UUNOKIWRZRMQRL-BBRMVZONSA-N 272.392 3.808 30 20 CHED Fc1cccc(F)c1NN=C1CC[C@H]1C1CCC1 814852771 OOUPKZMOLZVAOU-JTQLQIEISA-N 250.292 3.943 30 20 CHED Cc1nc(CC(C)C)sc1C(=O)OCCCCC#N 727917289 UGIIEUGNSNJLLW-UHFFFAOYSA-N 280.393 3.501 30 20 CHED CC[C@H](CC#N)Nc1cc(Br)c(C#N)cc1F 575331193 LGJRWNPIIFSDRH-SECBINFHSA-N 296.143 3.564 30 20 CHED N#Cc1ccccc1COC(=O)c1ccc(C(F)F)cc1 726666081 VUOYONZCDAJSKW-UHFFFAOYSA-N 287.265 3.853 30 20 CHED COc1cccc(NN=C(C)c2ccccc2F)c1 725853971 YXKITUDZJQOFNG-UHFFFAOYSA-N 258.296 3.670 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2cccc(F)c2)cc1F 727653810 ZKXFSOMKTRWRHG-VQHVLOKHSA-N 287.309 3.927 30 20 CHED Cc1ccc(C(=O)OCc2ccc(F)cc2C#N)c(C)c1 728616185 PVHMTQCSJYYMHD-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC(C)C1CCC(NC(=O)NCc2cccc(C#N)c2)CC1 498268804 WOTNTANXPWAWOA-UHFFFAOYSA-N 299.418 3.572 30 20 CHED Cc1cc(CN(C)[C@H](C)CC#N)ccc1N1CCCCC1 828041914 YXCDGJLCNKZLIP-MRXNPFEDSA-N 285.435 3.719 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 668854614 KBHWVCAOEHBYAG-BHYGNILZSA-N 271.404 3.726 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCOc3ccccc32)cc1 728430369 RXJXORRJIKAZIB-UHFFFAOYSA-N 297.314 3.584 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cncc(Cl)c2C)C1 667159971 MWAMHYMXQPYDKY-GFCCVEGCSA-N 293.798 3.863 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCc1ccc(Cl)s1 494672909 IRMKTTUUNKCYSV-NSHDSACASA-N 298.839 3.694 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(Cl)c(Cl)c1 588594518 PAMOUTTUNYGLOS-HYXAFXHYSA-N 281.142 3.623 30 20 CHED COC(=O)Nc1ccc(NC2CCC(C)(C#N)CC2)cc1 823507810 JCTUKGLOLMOBSE-UHFFFAOYSA-N 287.363 3.749 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 497327320 KTQKQKWWZWQTNL-HLLBOEOZSA-N 282.387 3.647 30 20 CHED C=CCCCCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 581410495 RUJFKKIXNOSROT-HZPDHXFCSA-N 281.346 3.741 30 20 CHED C=CCC[C@@H](C)NCC[C@]1(C)CC1(Cl)Cl 824971040 NXJJBEYTYPIVHK-GHMZBOCLSA-N 250.213 3.905 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccnc(Cl)c1 823619084 XCVKIMXYAQTDNO-GFCCVEGCSA-N 285.778 3.800 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H]3C[C@@H]32)c1 588066734 XESYXULWYDWLIN-JQWIXIFHSA-N 266.266 3.566 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(Cl)cc2cccnc12 736956560 ZPRUQXBRNGNWDG-UHFFFAOYSA-N 296.157 3.762 30 20 CHED N#CCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 588248227 LHPPNHSNYXQPHU-UHFFFAOYSA-N 274.408 3.545 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCc1ccc(F)cc1F 732623144 ZWBFPNNVTUOYEA-OCKHKDLRSA-N 295.716 3.985 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)C1CCCCC1 730147836 UPKGJHZVUXNBCH-UHFFFAOYSA-N 253.349 3.635 30 20 CHED C[C@H](CNc1ccc(Cl)c(C#N)n1)C(C)(C)C 734480915 XRGIDRWCFZLGLR-SECBINFHSA-N 251.761 3.701 30 20 CHED Clc1nccnc1NN=Cc1ccc(-c2ccccc2)o1 733079709 QVZHSCSSSNMAHD-UHFFFAOYSA-N 298.733 3.836 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](CC)c1ccnc(Cl)c1 838916122 RVJAZWABXSHPET-YPMHNXCESA-N 297.782 3.711 30 20 CHED C=CCCCCCCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 837653910 ORZDVEJUKFLQEF-OAGGEKHMSA-N 279.424 3.587 30 20 CHED C#CCCOC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 739153173 MXDIYBXIFUNKQN-NSHDSACASA-N 284.277 3.766 30 20 CHED CC#CCCNC(=O)Cc1cc2c(ccc3ccccc32)o1 499000444 KNXAOBYZEVSKSS-UHFFFAOYSA-N 291.350 3.658 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2C)C1 665156315 CFHQJWIUOSRKNW-CYBMUJFWSA-N 276.355 3.954 30 20 CHED C=CCCNC(=O)N(CCc1ccc(F)cc1)CC(C)C 665945415 HYGWNIRBCXNNOC-UHFFFAOYSA-N 292.398 3.612 30 20 CHED C=CC(C)(C)COC(=O)/C=C\c1ccc(Cl)nc1 835723455 XIJQCGXJVTZAJC-VURMDHGXSA-N 265.740 3.504 30 20 CHED CCc1ccc(C=NNc2ncnc3sccc23)s1 731151711 RYIFXZRMAUHAPW-UHFFFAOYSA-N 288.401 3.761 30 20 CHED C=CCC1(NCCC(=O)Nc2ccccc2C)CCCC1 661852451 VIVQFSRSSULKCS-UHFFFAOYSA-N 286.419 3.802 30 20 CHED CC(C)C#CC(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 832759023 FQKCNYDNNCTMTP-LBPRGKRZSA-N 297.320 3.585 30 20 CHED C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1 903428225 NNPXAJROWOKJBR-UGSOOPFHSA-N 277.371 3.755 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@H](C)C[C@H]2C)c1 733083426 RCMKYOMKUKLNTC-WOSRLPQWSA-N 286.444 3.779 30 20 CHED Cc1ccc([C@@H]2CCN(c3cc(C#N)cc(C)n3)C2)c(C)c1 588037524 LQLDOSWUXVLSDG-QGZVFWFLSA-N 291.398 3.872 30 20 CHED N#Cc1cccc(C(=O)OCCC2(C#N)CCCCC2)c1 839992611 FGNNQPBQJVQTFR-UHFFFAOYSA-N 282.343 3.579 30 20 CHED c1ccc2c(=NN=C3C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)cc[nH]c2c1 730148350 RFTJFAUJHNDDFV-HOSILWTGSA-N 291.398 3.881 30 20 CHED C#CC[C@@H](OC(=O)C[C@@]1(C)CC1(Cl)Cl)C(C)C 835200845 PWAZLMDNYBBCPV-PWSUYJOCSA-N 277.191 3.552 30 20 CHED N#CCC1(CSc2nc(O)cc(-c3ccccc3)n2)CC1 901615355 DUCFOEMERUEPIV-UHFFFAOYSA-N 297.383 3.635 30 20 CHED N#CC1(CSCC(=O)Nc2cccc(Cl)c2)CCC1 580301420 QXHFDJKPJSTQGN-UHFFFAOYSA-N 294.807 3.706 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)C[C@@H]1CCCCO1 839434330 DGFJMIDZSBMVTR-INIZCTEOSA-N 294.354 3.609 30 20 CHED N#CCc1cccc(NC(=O)[C@H](F)CC2CCCCC2)c1 837073740 VSRGFZOSHRFLCD-MRXNPFEDSA-N 288.366 4.000 30 20 CHED C[C@]1(C(=O)OC[C@@H](C#N)Cc2cccs2)CC=CCC1 835261816 XZWFBUSYKJKXBZ-CJNGLKHVSA-N 289.400 3.720 30 20 CHED CCC(=NNc1ccccc1)c1ccc2c(c1)CCO2 915932990 HAHWIONSNNWTQD-UHFFFAOYSA-N 266.344 3.848 30 20 CHED C=CCN(C(=O)NC[C@@H]1CCCc2ccccc21)C(C)C 918068700 YHPNCVVZNCCQDQ-INIZCTEOSA-N 286.419 3.713 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@H]2CCCC2(F)F)cc1 834886635 UTSOMXBBDXKOIG-UKRRQHHQSA-N 293.357 3.785 30 20 CHED C#CC1CCN(C(=O)Nc2ccc3ccccc3c2)CC1 831046655 CBBCTKYKYVFTQG-UHFFFAOYSA-N 278.355 3.717 30 20 CHED C=C(C)CCc1noc(CCc2ccccc2F)n1 671670871 WPFSWBAZAQHOIF-UHFFFAOYSA-N 260.312 3.503 30 20 CHED C#CCCCCCOC(=O)[C@@H](CC)CC(F)(F)F 835276340 CGLCSDZNUPLBQS-NSHDSACASA-N 264.287 3.702 30 20 CHED C=CCC1(C(=O)OCc2noc(C(C)(C)C)n2)CCCC1 835364329 YRRZSCBKEWDRTJ-UHFFFAOYSA-N 292.379 3.547 30 20 CHED CCCCNN=Cc1ccc(OC)c2ccccc12 915969258 GVCFYYIMWLBNLF-UHFFFAOYSA-N 256.349 3.572 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@H]1CC12CCCC2 1333630050 VERMYUZKYXQIPK-GFCCVEGCSA-N 274.751 3.730 30 20 CHED Oc1nc2ccccc2cc1/C=N\Cc1ccc(F)cc1F 745624630 MCUPPXIDQLTYQN-JMIUGGIZSA-N 298.292 3.838 30 20 CHED CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1CCC1CCCC1 598593102 PVSQILKKNGZQIY-IAGOWNOFSA-N 292.467 3.722 30 20 CHED CCC(=NNc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 916249501 SVEBEYHKBAHTPH-UHFFFAOYSA-N 299.330 3.830 30 20 CHED C[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046607 LHLCYKANRFGGRE-JEZHCXPESA-N 290.775 3.782 30 20 CHED CCOc1cccc(/C=N\[C@@H]2CCC[C@H](C)C2)c1O 914702767 LLBXOIQJGIGHDY-XPOBMWCSSA-N 261.365 3.789 30 20 CHED CCCCC[C@@H](C)CC(=O)NCC#Cc1ccccc1 742505058 OELZRGILXRSVOJ-MRXNPFEDSA-N 271.404 3.761 30 20 CHED C=CCCSCCNC(=O)C[C@@H](C=C)c1ccccc1 597969391 YXQKKGKXWFITFN-OAHLLOKOSA-N 289.444 3.772 30 20 CHED COCCOc1cccc(-c2ccc(CC#N)s2)c1 592983730 IQILGFHRXJWDDY-UHFFFAOYSA-N 273.357 3.506 30 20 CHED COc1ccc(C(C)=NNc2ccc(Cl)nc2)cc1F 743449959 DCONTPVYHKOBRZ-UHFFFAOYSA-N 293.729 3.719 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCc2ccc(C#N)cc21 592613937 RVAQLTLLWCZOSL-LSDHHAIUSA-N 282.387 3.520 30 20 CHED CC(=NNC(=S)Nc1ccccc1F)c1ccsc1 749098578 BXIHMPCXSVOEMC-UHFFFAOYSA-N 293.392 3.598 30 20 CHED C#CC1CCN(C(=O)[C@@H](CCC=C)c2ccccc2)CC1 843705391 FDRVIADXEAIBNU-SFHVURJKSA-N 281.399 3.608 30 20 CHED CCCCCCCCNC(=N)NCc1cccc(F)c1 849057181 FBEDBKZHECZQCM-UHFFFAOYSA-N 279.403 3.800 30 20 CHED Cc1cc(-c2ccc(N3CCCC3)nc2)ccc1C#N 592986256 GJGFETRULIMAJP-UHFFFAOYSA-N 263.344 3.529 30 20 CHED O=C1/C(=C/c2ccnn2CC2CC2)CCc2ccc(F)cc21 849250802 XILADTZWUJCXCY-NTEUORMPSA-N 296.345 3.645 30 20 CHED Cc1cc(F)cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 748678091 ZLNSITUWQNJCNZ-LBPRGKRZSA-N 283.302 3.924 30 20 CHED COc1ccc(CNCC[C@H]2CCCC[C@H]2C)cc1C#N 742371083 HPEBTIGUNRDXPP-GDBMZVCRSA-N 286.419 3.873 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1CCC2(CC1)CC2 597416984 YESQSHUWUUKJNC-UHFFFAOYSA-N 268.360 3.776 30 20 CHED CCCCCCCn1cc([N+](=O)[O-])nc1Br 849991224 BDPBEZJKARQPQF-UHFFFAOYSA-N 290.161 3.524 30 20 CHED CCC(CC)(C/N=C\c1c(O)cccc1OC)SC 743044628 NHSGSYAOSJGFHD-YBEGLDIGSA-N 281.421 3.742 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNc1ccc(Cl)nn1 748245432 ZYYSZGGJJAGRGG-SECBINFHSA-N 266.776 3.744 30 20 CHED COc1ccc(CCC(C)=NOCc2cncc(C)c2)cc1 842025490 WLRSWHMNNZQDKH-UHFFFAOYSA-N 298.386 3.924 30 20 CHED CC[C@H](N[C@@H](C#N)c1ccccc1)c1c(C)noc1C 595429578 GLENCBSOVVXCAQ-GJZGRUSLSA-N 269.348 3.597 30 20 CHED C[C@H](c1ccccc1)n1cc(N[C@H]2CC[C@@H](C#N)C2)cn1 592393724 KKJURIBXNIAXSC-FMKPAKJESA-N 280.375 3.597 30 20 CHED Cc1cc2cc(OC(=O)CCCCCC#N)ccc2n1C 842398502 OPHVKWWYLFYIDA-UHFFFAOYSA-N 284.359 3.866 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1csc(Cl)n1 846926057 HGWKZXHQFYDASC-UHFFFAOYSA-N 289.791 3.621 30 20 CHED C=CCN(CCC#N)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 597683907 KWNBQIKWVBPHKH-MSOLQXFVSA-N 296.414 3.574 30 20 CHED N#CCCCCN1CC[C@@H]1c1ccc(Br)cc1 595845853 SFUKGNWCDHUGAL-CQSZACIVSA-N 293.208 3.890 30 20 CHED C=CCC1(C(=O)N2CCC[C@@](C)(C#N)C2)CCCCC1 590705947 RLXVCOCBLZYITR-INIZCTEOSA-N 274.408 3.665 30 20 CHED C=CCN(C(=S)Nc1cccc(C)c1C)[C@H](C)COC 849277017 OTMIZVHMWCQGFK-CYBMUJFWSA-N 292.448 3.523 30 20 CHED C=C(C)COC(=O)c1ccnc(Oc2ccccc2)c1 749291161 DYLPGXQJHFRCJA-UHFFFAOYSA-N 269.300 3.607 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1cc(C#N)ccc1F 849846310 NXNJZYWVCJUTLO-OAHLLOKOSA-N 281.302 3.659 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(F)ccc1F)C2 747440680 OUCQZMKUVMRWHU-KPKJPENVSA-N 286.277 3.796 30 20 CHED C=C(C)CCOC(=O)[C@H](C)CSc1ccccc1 744299638 IWZNNFYSQCQAGG-CYBMUJFWSA-N 264.390 3.924 30 20 CHED N#Cc1c(Cl)nsc1NCCCC1CCC1 853849753 YCRILKQBFCWRBP-UHFFFAOYSA-N 255.774 3.660 30 20 CHED Fc1cccc(NN=C[C@@H]2CCOc3ccccc32)c1 752164875 PVPOVFRQFWAPHG-LBPRGKRZSA-N 270.307 3.790 30 20 CHED COCCOc1ccc(N[C@H](C)CC(C)(C)C#N)c(C)c1 925872083 OSWOCSJSUGSYDL-CQSZACIVSA-N 290.407 3.761 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)OCc2cc(C#N)ccc2F)C1 759417465 DMGSLKRRGUKPOV-VXGBXAGGSA-N 275.323 3.567 30 20 CHED FC(F)(F)c1ccc(NN=C2CCC[C@H](C3CC3)C2)nn1 754710554 KYBRLPRCTWVAMO-JTQLQIEISA-N 298.312 3.864 30 20 CHED C#CC[C@H](NC(=O)c1cnc(C(C)C)s1)c1ccccc1 757582129 ZRUKIXNOAIYPLM-AWEZNQCLSA-N 298.411 3.761 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1cc(F)cc(F)c1O 757473711 OBHCXQRQQNINCZ-PLNGDYQASA-N 296.219 3.845 30 20 CHED CC(C)n1ccnc1C=NNc1cc(Cl)nc(Cl)c1 853359539 QCMSBBQQQHIFQV-UHFFFAOYSA-N 298.177 3.612 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1cc(C(F)(F)F)ccn1 926487593 YFXOTXVUDAAPOS-NSHDSACASA-N 299.340 3.561 30 20 CHED Cc1ccc(F)c(NN=Cc2cccc(F)c2F)c1 759653341 POAHJSJGSPKAQN-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C#CC[C@H](NC(=S)Nc1ccccc1)c1ccccc1 756856104 LBLXTZPQIUVQJG-INIZCTEOSA-N 280.396 3.738 30 20 CHED CC(C)n1cc2c(n1)[C@@H](N[C@H](C)CC(C)(C)C#N)CCC2 926183360 MGPZYNRLNQJXGV-HIFRSBDPSA-N 288.439 3.759 30 20 CHED CCC[C@@H](C(=O)O[C@H](C)C#N)c1cccc(Cl)c1 859803930 JIGQDAKEUROLOX-ZWNOBZJWSA-N 265.740 3.679 30 20 CHED COc1nc(Cl)c(C=NNc2ccc(F)cc2C)s1 755814042 IOTUAANTDFWDEA-UHFFFAOYSA-N 299.758 3.699 30 20 CHED CO[C@H](C=NNc1ccc(F)cc1F)C1CCCC1 853256014 KRJMRCADYIRVRZ-CQSZACIVSA-N 268.307 3.568 30 20 CHED C=CCC(CC=C)C(=O)N(CCC)c1cccnc1 758523995 PADOOBBEMNSYOE-UHFFFAOYSA-N 258.365 3.593 30 20 CHED Cn1nc(C/N=C\c2cc(Cl)ccc2O)c2ccccc21 758815996 OMIOPBPTHRHDCC-NVMNQCDNSA-N 299.761 3.551 30 20 CHED C=C(Br)CNC(=O)c1ccc([C@@H](C)CC)cc1 755239538 RDXCXOSWOPRIHX-JTQLQIEISA-N 296.208 3.839 30 20 CHED C#C[C@@](C)(CC)NC(=O)CCCc1ccccc1Cl 854703912 GRHGAJFYZYDYFJ-INIZCTEOSA-N 277.795 3.581 30 20 CHED CCCCOCCN(CC)[C@H](C)c1ccc(C#N)cc1 54340173 XRMMABZLVWPRLR-OAHLLOKOSA-N 274.408 3.758 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccc(F)cc1Br 758374890 YQJMECHVNNLJAM-SFYZADRCSA-N 271.133 3.642 30 20 CHED C[C@H](NCCCC#N)c1ccc(C(F)(F)F)nc1Cl 856776607 GSLRASMWJUZAAD-QMMMGPOBSA-N 291.704 3.708 30 20 CHED N#Cc1ccc(NC(=O)CCc2cccs2)cc1Cl 15597078 XATUBYWAMBXUQN-UHFFFAOYSA-N 290.775 3.844 30 20 CHED CCCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)C1CCCCC1 753935201 MFFKFJFEEFYCGC-HZPDHXFCSA-N 290.455 3.583 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1cc(O)cc(O)c1 753716997 OCJZKOCUTVAPPQ-AATRIKPKSA-N 291.306 3.542 30 20 CHED C=CCc1cc(OC)cc(CN(CC)CCCC)c1O 754723510 NUGCQYNTPRUYDU-UHFFFAOYSA-N 277.408 3.751 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@@H](C)c1cccc(C#N)c1 933854929 NOFYENOOHYNHDG-GJZGRUSLSA-N 292.382 3.848 30 20 CHED N#CCCCCN1CCC(c2nc3c(s2)CCC3)CC1 932621879 NOHANMMMSHIRKD-UHFFFAOYSA-N 289.448 3.505 30 20 CHED C#CCN(CC)C(=O)[C@@H](c1cccc(Cl)c1)C(C)C 764212200 VLSDLNCFBWVNRB-OAHLLOKOSA-N 277.795 3.561 30 20 CHED O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cscn1 769260572 MSKPFPDTWQDLOW-DUXPYHPUSA-N 294.719 3.601 30 20 CHED CC(C)CN(CCC#N)Cc1ccc([C@H]2C[C@H]2C)o1 768153521 HPVROSJDHUGOFZ-HIFRSBDPSA-N 260.381 3.775 30 20 CHED FC(F)(F)c1sccc1C=NO[C@@H]1CCCCO1 863106210 QKJGZGTZTQCUHT-SECBINFHSA-N 279.283 3.644 30 20 CHED C=CC[C@@H]1N(C(=O)C2(F)CCCC2)CCCC1(C)C 767228034 KDMBFZVDGCWRLR-ZDUSSCGKSA-N 267.388 3.862 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NO[C@H]1CCCCO1 766715600 OXTVFDHWMHLFRA-DOMZBBRYSA-N 259.349 3.750 30 20 CHED CC(C)(C#N)CCCCOC(=O)COC1CCCCC1 768608637 NOFYZLLWPNWRTN-UHFFFAOYSA-N 281.396 3.599 30 20 CHED CC(Cc1ccncc1)=NNc1cccc(C(F)(F)F)n1 767784700 GQBLFXVOOLXNPX-UHFFFAOYSA-N 294.280 3.526 30 20 CHED CCCCCCCCCN(C)C(=O)C1(F)CCOCC1 864973492 YPUBMNLQOJOOPO-UHFFFAOYSA-N 287.419 3.714 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccsc1 767360456 HKZOXRHYTSTFMT-UHFFFAOYSA-N 255.346 3.542 30 20 CHED C#C[C@@H](OC(=O)[C@H](C)C(C)(F)F)c1ccc(C)cc1 860963195 QYVZGQOEEMLJRL-WCQYABFASA-N 266.287 3.504 30 20 CHED CC[C@H](C)NN=Cc1ccc(Sc2ccccn2)o1 766479214 XEVRCTNVMDVVFN-NSHDSACASA-N 275.377 3.548 30 20 CHED CCON=C1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 762448228 VHGCNDSFWGAFJB-TZMCWYRMSA-N 296.411 3.579 30 20 CHED CC1CC(C#N)(C(=O)O[C@@H](C)c2ccc(F)cc2F)C1 767431819 STWDKMRGOSUIPW-VOZQYIJBSA-N 279.286 3.509 30 20 CHED C#CCCCCCCNC[C@H](C)c1nc(C)cs1 877332667 FZPDXPBXUBGFSE-ZDUSSCGKSA-N 264.438 3.728 30 20 CHED C#CCCCCCC(=O)Nc1cnc(-c2ccccc2)nc1 779758685 ONAKBLILILXBRD-UHFFFAOYSA-N 293.370 3.666 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1nc2ccccc2n1CC 878684383 HJFDZGQZIBUIGG-ZDUSSCGKSA-N 299.418 3.836 30 20 CHED Cc1cccnc1NN=CC1([C@@H]2CCCCO2)CCC1 872368426 IPXVFBYQKDPKQD-AWEZNQCLSA-N 273.380 3.527 30 20 CHED CC1(C)CCC/C(=C\c2cccc(C(=O)O)c2)C1=O 774135449 KKAFSWPSAJWTCT-FMIVXFBMSA-N 258.317 3.547 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1ccsc1 777916033 CXLAHIBPFRQKTR-DUXPYHPUSA-N 277.276 3.692 30 20 CHED C[C@H]1CCCC[C@H]1Nc1ncc(Br)cc1C#N 74370396 DWQGPMOADGEPKI-JOYOIKCWSA-N 294.196 3.706 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1)c1cccnc1 878722246 QUVSWYZEESJZCG-SFHVURJKSA-N 294.398 3.890 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCCC1(C)C 773135952 QIHMJTRMGVHFKJ-ZDUSSCGKSA-N 289.350 3.603 30 20 CHED Fc1cc(C=NNC2CCCC2)cc(C(F)(F)F)c1 772842793 QVZNWESDNBCIMP-UHFFFAOYSA-N 274.261 3.711 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(OC)c1F 771247156 WAUFCPHXJFOUHD-LLVKDONJSA-N 280.343 3.701 30 20 CHED C[C@@H](C=NOC1CCOCC1)CC1CCCCC1 774444856 QHCGZNGVZOCLSI-CYBMUJFWSA-N 253.386 3.774 30 20 CHED Cc1cccc(OC(=O)c2ccc(C#N)s2)c1Cl 774665384 YMYBHTQENMJJOK-UHFFFAOYSA-N 277.732 3.801 30 20 CHED C[C@H](C#N)CNN=Cc1c(Cl)ccc(Cl)c1Cl 771108389 UITZJKJWXQXXGD-SSDOTTSWSA-N 290.581 3.730 30 20 CHED C#CCCCCCC(=O)N(CC)[C@H](CC)c1ccncc1 779957051 ACXYYLXHPFKQHU-QGZVFWFLSA-N 286.419 3.965 30 20 CHED C#CCCCCCC(=O)N[C@H](CCC)c1ccccn1 779915393 YZUFLVSCRRIQPN-MRXNPFEDSA-N 272.392 3.623 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccsc2)c(F)c1 772805031 DSVLHAJLRBKLLN-ONEGZZNKSA-N 257.289 3.655 30 20 CHED C#C[C@H](N[C@@H](C)c1ccccc1SCC)[C@H]1CCCO1 775571685 JFODEWQSKYQVGY-CWRNSKLLSA-N 289.444 3.630 30 20 CHED C#CCOc1ccccc1NC(=O)c1ccc(Cl)c(C)c1 775948521 STTNIZCBWBTQHW-UHFFFAOYSA-N 299.757 3.913 30 20 CHED Cc1cc(C=Nn2cnc3ccccc32)ccc1Cl 779768925 ZJERFTNFXBFJLF-UHFFFAOYSA-N 269.735 3.880 30 20 CHED COc1ncc(C(=O)/C=C/c2cccc(F)c2)cc1Cl 789156839 FIKFPNXTLGRVKU-AATRIKPKSA-N 291.709 3.779 30 20 CHED C=CCCOCC(=O)Nc1cccc(COC(C)(C)C)c1 885623950 IRVSWMVKXYRXNI-UHFFFAOYSA-N 291.391 3.533 30 20 CHED CC(C)(C#N)CNc1nc(C(F)(F)F)nc2ccccc12 781681223 GGKBRGLIZAPUDL-UHFFFAOYSA-N 294.280 3.610 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2ccsc2C#N)[C@@H]1C 1127767102 OFGIKFOLCLFTOI-FOGDFJRCSA-N 263.362 3.601 30 20 CHED Cc1cc(COc2cnc(Cl)cc2C)ccc1C#N 783041665 PERHFJJYXLKGSW-UHFFFAOYSA-N 272.735 3.803 30 20 CHED COc1cc(NN=C(C)Cc2ccncc2)ccc1Cl 788472363 TVOOLOFEAOARSC-UHFFFAOYSA-N 289.766 3.774 30 20 CHED Cc1cccc(C=NNc2ccnc(F)c2)c1OC(F)F 781133416 FMTJZJYHXXOTQK-UHFFFAOYSA-N 295.264 3.577 30 20 CHED C[C@H](CC#N)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786418058 XSTNONLTDWEXHF-VXGBXAGGSA-N 270.332 3.507 30 20 CHED C#CCCCCCC(=O)OCc1cnc2ccccc2c1 780362159 ZGVACBLEHACXPU-UHFFFAOYSA-N 281.355 3.862 30 20 CHED Fc1ccccc1CCNN=Cc1ccc2cnccc2c1 782253541 LKSFPIMCAGHIQR-UHFFFAOYSA-N 293.345 3.540 30 20 CHED Cc1cccc(N2CCN(c3ccc(C#N)cc3)CC2)c1C 84858483 MBRKDDCZWQZGPI-UHFFFAOYSA-N 291.398 3.502 30 20 CHED Cc1cc(/C=C2/Cc3cc(O)ccc3C2=O)ccc1F 780188488 SFOQLCBPNKQYSE-QPEQYQDCSA-N 268.287 3.662 30 20 CHED CCC1(CC)CCC(NC(=O)[C@](C)(C#N)CC)CC1 517978306 YCWHRAFDUJUPKH-HNNXBMFYSA-N 264.413 3.791 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cnc(-c2ccccc2)nc1 782300398 LYATXHIGNYNAMA-MRXNPFEDSA-N 294.402 3.646 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCC1)c1nc(C2CC2)cs1 781183554 KGMLGHODLLORRI-JTQLQIEISA-N 290.388 3.709 30 20 CHED COC(=O)c1occc1/C=C/C(=O)c1csc(Cl)c1 787186986 VYRCTGKXUXYSQR-NSCUHMNNSA-N 296.731 3.677 30 20 CHED CCC(CC)(CC)C(=O)Nc1cc(F)cc(C#N)c1 1596856442 RWBFEKLLUAEIEW-UHFFFAOYSA-N 262.328 3.852 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc(C#N)c(Cl)c1 798375577 KMBLTHQPMPLJMO-NSHDSACASA-N 293.823 3.853 30 20 CHED C=CCCSCCN[C@H](C)Cc1cccs1 595057352 CJZPJKUWDHXNKF-GFCCVEGCSA-N 255.452 3.578 30 20 CHED CCc1cccc(C)c1NN=C(C)Cc1ccncc1 799494258 GFFJONZWROXYKP-UHFFFAOYSA-N 267.376 3.983 30 20 CHED CCC(CC)NN=C[C@H](CNC(=O)OC(C)(C)C)C(C)C 794514364 IIRGTCMDIWMMFY-ZDUSSCGKSA-N 299.459 3.547 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1F 1206056359 SLOXBYTZNGKEHI-UHFFFAOYSA-N 297.333 3.751 30 20 CHED CCCCCCCC(=O)NCc1cc(CC)ccn1 798064389 SSJPHXALKSDJPY-UHFFFAOYSA-N 262.397 3.621 30 20 CHED COC1(C=NNc2cccc([N+](=O)[O-])c2C)CCCCC1 790161918 JSDGXAYFBMPWDW-UHFFFAOYSA-N 291.351 3.650 30 20 CHED Cc1cc(C=NNCc2ccccc2N(C)C)c(C)s1 794958793 ZPLLGJWHVKWQAZ-UHFFFAOYSA-N 287.432 3.555 30 20 CHED Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccc(C#N)o1 797014145 DBEQKPCHYXFDSC-GFCCVEGCSA-N 269.300 3.686 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1cnn(C(C)C)c1C 793111307 FUEJALOBFCYMCO-CYBMUJFWSA-N 264.417 3.521 30 20 CHED C=C[C@H](C)OC(=O)c1sc2ccc(C#N)cc2c1C 797127818 DCEGNMGSDUBHNJ-VIFPVBQESA-N 271.341 3.813 30 20 CHED C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)[C@H](C)C1 70114235 UKLQBJJLBKCTBR-JTNHKYCSSA-N 273.336 3.703 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(OCC)cc2)CCC1 790663765 RATQBMXRRSDWTJ-UHFFFAOYSA-N 273.376 3.795 30 20 CHED C[C@@H](N(C)c1nc(C(F)(F)F)ccc1C#N)C(C)(C)C 78833516 YDOLWGPYUJHOSI-SECBINFHSA-N 285.313 3.843 30 20 CHED C=C(CC)CN1CCCC[C@H]1[C@H](O)c1ccccc1 773451281 JQFCVNIUYZTWAH-DLBZAZTESA-N 259.393 3.541 30 20 CHED N#Cc1cc(F)c(NCC(C2CC2)C2CC2)c(F)c1 90801891 ZEROLUGOKBRJSG-UHFFFAOYSA-N 262.303 3.685 30 20 CHED Cc1cc(-c2nc3cc(C#N)ccc3[nH]2)ccc1F 96874320 LBABGCWFGFGDLG-UHFFFAOYSA-N 251.264 3.549 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)c1cccc(C#N)n1 1306980499 XJFGVFOMNKIOOZ-QGZVFWFLSA-N 279.387 3.719 30 20 CHED C[C@@H](SCc1ccncc1)c1ccc(C#N)cc1 1307405488 UKKMGOKLASVDRE-GFCCVEGCSA-N 254.358 3.948 30 20 CHED Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCCC#N 1325340444 QCTBBYLEXFLAMW-OLZOCXBDSA-N 258.365 3.532 30 20 CHED N#Cc1cccc(-c2nnc(C=C3CCSCC3)o2)c1 1326524106 PNECKNKUXWTNQS-UHFFFAOYSA-N 283.356 3.519 30 20 CHED C=CCCC[C@H](C)N[C@@H](C(=O)OC)c1ccccc1Cl 1320649232 OOGJYJTYQQSOAI-SWLSCSKDSA-N 295.810 3.889 30 20 CHED Cc1ccsc1-c1nnc(COc2ccccc2C#N)o1 1257698250 HDZZYBHKAJCXAS-UHFFFAOYSA-N 297.339 3.557 30 20 CHED N#CCc1cccc(NCC2(c3ccccc3Cl)CC2)n1 1338244223 RZEULGRAMSVDTB-UHFFFAOYSA-N 297.789 3.945 30 20 CHED C[C@@H](Sc1cccnc1C#N)c1nc2ccccc2o1 1189339188 WZAKHQYGCWURIK-SNVBAGLBSA-N 281.340 3.948 30 20 CHED CC(C)[C@@]1(C)C[C@H]1c1nnc(COc2ccccc2C#N)o1 1333090477 IUUHBNVJVIYKEM-SUMWQHHRSA-N 297.358 3.670 30 20 CHED C=C(C)CCC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 1338852962 UAHCPQPSMCYOHD-GDBMZVCRSA-N 257.377 3.747 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CCCc3ccccc32)s1 1346542555 XTGRLEWSSREMTK-MRXNPFEDSA-N 297.379 3.783 30 20 CHED Cc1cccnc1NN=CCCc1ccc(F)cc1 1340092110 YSVUULSLKXMBCF-UHFFFAOYSA-N 257.312 3.560 30 20 CHED C=CCC[C@@H](C(=O)OCc1cnn(CC)c1)c1ccccc1 1343848498 GIISQIHHOFTYOT-QGZVFWFLSA-N 298.386 3.696 30 20 CHED Cn1c(Cl)cnc1[C@@H](C#N)C(=O)C1CCCCCCC1 1346096128 MOMMQDVYWOIJSZ-LBPRGKRZSA-N 293.798 3.610 30 20 CHED N#CCC1(OC(=O)c2ccc(C3CC3)cc2)CCC1 1345823508 FGLFOUHTEZWBNR-UHFFFAOYSA-N 255.317 3.557 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)O[C@H](CC#N)c1ccco1 1350311780 PJWWAXMSRHRIJI-UXIGCNINSA-N 261.321 3.604 30 20 CHED Cc1ccc(CCOC(=O)c2ccc(C)c(C#N)c2)cc1 1360920714 LKOAWTJGCCXIPK-UHFFFAOYSA-N 279.339 3.575 30 20 CHED C=C[C@H](C(=O)N1CCC[C@@H]1c1ccccn1)c1ccccc1 1519021006 PZIQDKLRYHDWSQ-FUHWJXTLSA-N 292.382 3.715 30 20 CHED CCC1(CC)[C@H](Nc2ccc(C#N)c(C)n2)[C@H](C)[C@H]1OC 1472744737 CNDNRVHXECGZPN-IUIKQTSFSA-N 287.407 3.513 30 20 CHED N#C[C@H]1CCCN(C/C=C/c2ccc(Cl)cc2)C1 1473781610 RYFBHTIKNVTEQB-XYHHVPKHSA-N 260.768 3.589 30 20 CHED N#CCc1cccc(Nc2ccnc(-c3ccccc3)n2)c1 1559192363 TUVCJCHRPJHVGX-UHFFFAOYSA-N 286.338 3.953 30 20 CHED CC[C@H](Nc1ccc(Cl)c(C#N)n1)[C@H]1CC1(C)C 1559215482 CFZTULQJTPDNBS-KOLCDFICSA-N 263.772 3.843 30 20 CHED Cc1ccc(C2=CCN(c3cc(C)c(C#N)cn3)CC2)cc1 1559088538 CCWJBJGQSBEYGE-UHFFFAOYSA-N 289.382 3.864 30 20 CHED N#Cc1ccsc1NC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 1563023878 OVKLDMSPOHGSDV-SRVKXCTJSA-N 289.404 3.568 30 20 CHED N#Cc1ccnc(CN2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)c1 1652419619 AAIFOIHZVOLFGV-RMRDIRSESA-N 295.430 3.744 30 20 CHED C[C@@H](CC(=O)O)c1ccc(NCc2ccc(C#N)cc2)cc1 1776402767 FQWNLLVCRRFBOZ-ZDUSSCGKSA-N 294.354 3.749 30 20 CHED COc1cc(C(=O)O)ccc1/C=C\C(=O)c1ccc(C)cc1 1776114667 WPQSRTHQSRVFFQ-KTKRTIGZSA-N 296.322 3.598 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(F)c(C(=O)O)c1 1777465299 LFDBTOZBVJHWMW-CLFYSBASSA-N 284.286 3.728 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)c1ncccc1C#N 12815254 YWDWOASITAZHKY-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)CSCc1ccccc1 162786545 ONJOORJGYQZDKK-ZIAGYGMSSA-N 277.433 3.637 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(OCCC)cc1 163367582 OCWWSLOMCRVLGL-GFCCVEGCSA-N 253.773 3.879 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(O)cc1Cl 153297510 HUEMVAZSOMXDPQ-UHFFFAOYSA-N 295.810 3.793 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 155121580 RMFWNOWLDUJBTI-BYCMXARLSA-N 292.810 3.865 30 20 CHED CCCOc1cc(C)ccc1NC(=O)N[C@@H](CC)CC#N 155798524 QBWRMOMLVJBJHL-ZDUSSCGKSA-N 289.379 3.598 30 20 CHED C=C(Br)CNC(=O)c1ccccc1C(C)(C)C 157741830 ZQWMYEDVNAVPNA-UHFFFAOYSA-N 296.208 3.623 30 20 CHED C=CCN(C)C(=O)Nc1c(C)cc(Br)cc1C 156558733 YDBRHOSUDLAPBC-UHFFFAOYSA-N 297.196 3.716 30 20 CHED COC(=O)c1ccc(OCCCCC(C)(C)C#N)cc1 234578590 GMEAZQULBKJHOF-UHFFFAOYSA-N 275.348 3.572 30 20 CHED C#Cc1ccc(CN[C@H]2CCc3cc(C)ccc32)cc1 809610175 OTRPLETZCTZMPO-IBGZPJMESA-N 261.368 3.753 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)[C@@](C)(C#N)CC)c1 136237588 AUEGDCAVYUCCRX-BLLLJJGKSA-N 274.364 3.742 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2CCCc3sccc32)c1 137131308 KMWOXDPYQXTHJO-HNNXBMFYSA-N 281.380 3.788 30 20 CHED CC(C)(O)CN(CCCC(C)(C)C#N)Cc1ccccc1 272055939 HCIYXUPMJFHKIO-UHFFFAOYSA-N 288.435 3.589 30 20 CHED C[C@]1(CNc2nc3c(cc2C#N)CCCC3)CCCS1 168038511 MTKSPQYOZQJJGM-MRXNPFEDSA-N 287.432 3.530 30 20 CHED C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(C#N)cc1 37071425 AIDOEWXBSTTWTE-CYBMUJFWSA-N 261.328 3.797 30 20 CHED C[C@@H](CCCC(F)(F)F)NCc1ccc(C#N)cc1 163354106 DYECOWRHNOKJLG-NSHDSACASA-N 270.298 3.769 30 20 CHED C=C(C)COCCN[C@@H](C)CC(C)(C)c1ccccc1 164645399 XCXUHJIKJSVBPB-INIZCTEOSA-N 275.436 3.925 30 20 CHED Cc1cc(C#N)ccc1Oc1ncnc2sccc12 301137435 CGLQOXSUYZXUCC-UHFFFAOYSA-N 267.313 3.664 30 20 CHED Cc1cc(C#N)cc(NCc2nc(C)c(C)s2)c1 308156117 QQVHVGPEQJILHK-UHFFFAOYSA-N 257.362 3.552 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 506688555 HZLOAFALNMWDPU-FXUDXRNXSA-N 276.424 3.601 30 20 CHED CC(C)C[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 404083828 QIGOJIXRYAMMHO-OAHLLOKOSA-N 260.356 3.708 30 20 CHED N#Cc1cccc(CNC(C2CCC2)C2CCC2)c1 311355644 NFDHTYXTADLOTB-UHFFFAOYSA-N 254.377 3.617 30 20 CHED Cc1nc(NCc2ccccc2F)c(Cl)cc1C#N 336817095 ONYPSBKDXCQLOO-UHFFFAOYSA-N 275.714 3.666 30 20 CHED CC[C@@H](CC#N)NC(=O)CCc1cc(Cl)cc(Cl)c1 358063735 ZUOIRPVXBKFZON-ZDUSSCGKSA-N 299.201 3.734 30 20 CHED C=CCC[C@H](C)NCc1c(C)c2ccccc2n1C 475194384 VLYOKEPMGRBLAR-ZDUSSCGKSA-N 256.393 3.931 30 20 CHED C=CCCSCCN[C@H](C)c1ccc2c(c1)CCO2 696034813 RVUPTTUYLHXFSU-CYBMUJFWSA-N 277.433 3.581 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(SCCOC)cc1 103405315 LPJPDFNOBSMMPD-ZDUSSCGKSA-N 293.432 3.569 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](C)c1ccccc1F 102603210 MWCBMKSKWNVKFK-CYBMUJFWSA-N 261.340 3.520 30 20 CHED COc1ccccc1CC(C)(C)NCc1ccc(C#N)cc1 105495051 GRZNMBBEMVMDSQ-UHFFFAOYSA-N 294.398 3.678 30 20 CHED N#Cc1cccc(CNCCSCc2ccccc2)c1 57620856 LXGLMUFLELUKJR-UHFFFAOYSA-N 282.412 3.581 30 20 CHED C=CCCC(=O)O[C@H](C)c1ccc(OC(F)F)cc1 102506242 SJZKFICEASZIBL-SNVBAGLBSA-N 270.275 3.858 30 20 CHED CC[C@H](NCc1cccc(OCC#N)c1)c1ccccc1 51626909 MYUQPTUXVJGACG-SFHVURJKSA-N 280.371 3.830 30 20 CHED Cc1c(C(=O)N(C)C[C@H](C)C#N)oc2c(Cl)cccc12 57309476 SDPKHOKLQYUKHR-SECBINFHSA-N 290.750 3.626 30 20 CHED Cc1cnc([C@@H](NCc2cc(C#N)cs2)C2CC2)s1 177706244 ITDZJZQNDXWTDU-ZDUSSCGKSA-N 289.429 3.626 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1[C@@H]1C=CCCC1 464812460 KTALXDLCGMKWAQ-KURKYZTESA-N 266.388 3.867 30 20 CHED C[C@H](Sc1ncccc1[N+](=O)[O-])c1ccc(C#N)cc1 118175983 FMMAFLPXXSTBLN-JTQLQIEISA-N 285.328 3.715 30 20 CHED C#CCCCCC(=O)Nc1cccc(CN2CCCCC2)c1 179740681 SGSOJFLDVQMSLV-UHFFFAOYSA-N 298.430 3.805 30 20 CHED COc1ccccc1/C=C1\Cc2cc(F)ccc2C1=O 114992416 NMCBWRDDXYVHHZ-MDWZMJQESA-N 268.287 3.657 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1cc(C#N)cs1 177703521 KXISOUONRAABTN-DZGCQCFKSA-N 292.448 3.551 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H]2CC=CCC2)c1C#N 68677983 ALAQANDPKXGBFR-LLVKDONJSA-N 274.389 3.785 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@@H](C)CCSCC)c1 174785480 JETSNBCJLNBSNA-ZDUSSCGKSA-N 290.432 3.663 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1cc(C)cc(C)c1 119818837 CNICYESSOSRPES-HNNXBMFYSA-N 257.377 3.674 30 20 CHED Cc1ccc(C#N)c(NCc2ccc(C(F)(F)F)cc2)n1 61627127 GUYPNAWYCLPIAL-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC(C(=O)N(Cc1ccc(C#N)cc1)C1CC1)=C1CCCC1 176534898 UNRUYSKAMDWUSG-UHFFFAOYSA-N 294.398 3.940 30 20 CHED CCCCCCCC(=O)NCc1cccc(OCC#N)c1 113105642 CQFCJNCPUGPLCJ-UHFFFAOYSA-N 288.391 3.566 30 20 CHED C#CCCCNC(=O)Nc1cc(Cl)ccc1SC 175677625 SEMSGEGHYZPTTH-UHFFFAOYSA-N 282.796 3.597 30 20 CHED CCC[C@@H](CCc1ccccc1)Nc1ccc(C#N)nn1 302015335 YDBFXKVLSMHDIQ-HNNXBMFYSA-N 280.375 3.562 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 175709036 BJDWXHKPGOMYMZ-QGZVFWFLSA-N 286.419 3.772 30 20 CHED C#CCCCCC(=O)Nc1ccccc1-n1nc(C)cc1C 179733540 FUBOPEWYDFIVTD-UHFFFAOYSA-N 295.386 3.621 30 20 CHED Cc1ccc(NC(=O)CSc2cccc(C#N)c2)cc1 177100357 LYWLSDZCALTJEF-UHFFFAOYSA-N 282.368 3.598 30 20 CHED C#CCCCCNC(=O)Nc1ccc(F)cc1OCCC 125546989 RVGQXXDDYXFDIM-UHFFFAOYSA-N 292.354 3.540 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H](C)CC 302992826 JPBOIGSNSXBOBY-GJZGRUSLSA-N 274.408 3.819 30 20 CHED Cc1cccc2c1OC/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 63279316 USLXNUWQOHMTRY-MDWZMJQESA-N 295.294 3.562 30 20 CHED CCc1ccccc1CN(CCC#N)Cc1ccccn1 189081607 YDAJKTXOPNKDRW-UHFFFAOYSA-N 279.387 3.560 30 20 CHED C=CCC[C@H](NCc1ccc(-n2ccnc2)cc1)C1CC1 120564324 ZKWIBIRXOYIHES-SFHVURJKSA-N 281.403 3.707 30 20 CHED CCCCCCCC(=O)NCc1nc(C2CC2)cs1 127446617 WIGPDAMUKWNTJK-UHFFFAOYSA-N 280.437 3.997 30 20 CHED C=CCCCN(C)[C@@H](C)c1sc(CC)nc1C 122159363 FZDXJGHOQUHMQW-LBPRGKRZSA-N 252.427 3.973 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1cccnc1 212250656 DDWRVPWAFVWCHZ-FPLPWBNLSA-N 275.254 3.579 30 20 CHED CCc1ccc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)cc1 121435604 OAWAOQYCNFKCIN-AUUYWEPGSA-N 294.398 3.505 30 20 CHED C=CCSCCN[C@@H](C)[C@H](C)c1ccc(OC)cc1 180454819 HTVPXNYLWLCRRZ-KBPBESRZSA-N 279.449 3.696 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)CCC 123417082 OQULWOQGPAVVDD-HNNXBMFYSA-N 284.403 3.899 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1c[nH]c2ccccc12 182628311 DRCMLSZNECRPTG-AWEZNQCLSA-N 284.403 3.962 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2)cc1 36623401 QITUOHUNEKDYNY-CYBMUJFWSA-N 278.355 3.612 30 20 CHED O=C(/C=C/c1cncs1)c1ccc(Cl)s1 129885010 REVNWVZWQDRCNA-OWOJBTEDSA-N 255.751 3.754 30 20 CHED CCN(CC#Cc1cccc(Cl)c1)CC(F)(F)F 127667808 KFTMOWDBXSFCAF-UHFFFAOYSA-N 275.701 3.576 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(-c2ccc(C)cc2)no1 410139887 NIWMHWUBNLHVKX-CQSZACIVSA-N 284.359 3.735 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(C#N)s1 181420774 NFGVFOLHGIFHLZ-UHFFFAOYSA-N 283.356 3.502 30 20 CHED Cn1cc(CNc2ccc(Cl)c(Cl)c2)cc1C#N 189575116 FGCSCYKMSYJANA-UHFFFAOYSA-N 280.158 3.816 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CC1CCCC1 412839897 MKFNMSXXOLEYHA-QGZVFWFLSA-N 271.404 3.870 30 20 CHED Cc1nnc(-c2cccc(N[C@H]3CCC[C@@H](C#N)C3)c2)o1 185748454 YUNPEQHGSAZJBK-OCCSQVGLSA-N 282.347 3.539 30 20 CHED COc1ccc([C@H](N[C@@H]2CCC[C@H](C#N)C2)C2CC2)cc1 185767356 NUYJGMOMVYJJLF-FDQGKXFDSA-N 284.403 3.818 30 20 CHED CC(C)(C)c1ccnc(N2CCC[C@@](C)(C#N)C2)c1 603333810 IQZNCIQCIQYJOI-INIZCTEOSA-N 257.381 3.509 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 188790754 CAMGDVZHQVBGCX-SNVBAGLBSA-N 271.282 3.849 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 212837402 UYRNNSUKIRRBDZ-BFFYNSAMSA-N 255.361 3.657 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)C[C@@H](c2ccccc2)[C@@H]1C 185899760 VAALWFGNXYBLLP-XYJFISCASA-N 283.415 3.973 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)[C@@]1(C#N)C[C@@H]1C 410452631 WOXYYEPZHFCHDY-LKFCYVNXSA-N 294.807 3.940 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(OCCC)c1 188197501 DXCQTCZEJXXKFU-QGZVFWFLSA-N 291.391 3.643 30 20 CHED CSC[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 411760777 STPPTVQXJZNOOY-HNNXBMFYSA-N 280.481 3.926 30 20 CHED N#CCCCCN[C@@H](c1c(F)cccc1F)C(F)(F)F 183457510 CDHRWMKEPFHYLQ-LBPRGKRZSA-N 292.251 3.852 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)NCC2(C#N)CCC2)c(C)c1 419639910 HYRDOZYBZLYXJX-HNNXBMFYSA-N 299.418 3.700 30 20 CHED CC(C)(CNc1c(F)cc(C#N)cc1F)c1cccnc1 413587678 NJGJJPBDZSCICI-UHFFFAOYSA-N 287.313 3.621 30 20 CHED CC(=O)Nc1ccc(C)c(NCc2ccc(C#N)cc2F)c1 79159625 DOGKUGQYKWTLMN-UHFFFAOYSA-N 297.333 3.576 30 20 CHED C=CCC[C@H](NCc1cn2cccnc2n1)c1ccccc1 180045366 QDDAVGCGWLJIEM-KRWDZBQOSA-N 292.386 3.526 30 20 CHED Fc1ccc([C@@H](CC(F)(F)F)NCC(F)(F)F)cc1 180559751 YPDKNSRHJYKORJ-SECBINFHSA-N 289.194 3.971 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 184936933 HULCQFPNDHKXEQ-CHWSQXEVSA-N 293.357 3.883 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCC(F)(F)C2)nc1 509095513 FBFZUARMJTWBHA-SNVBAGLBSA-N 268.332 3.871 30 20 CHED CCCC[C@H](CC)CNC(=O)NCc1ccc(C#N)cc1 500423701 BPBBPPODCGCTMF-AWEZNQCLSA-N 287.407 3.574 30 20 CHED C=C(C)CN(CC)Cc1nc2ccccc2n1C(F)F 44995628 ZAMNUWXZIAQUMA-UHFFFAOYSA-N 279.334 3.829 30 20 CHED COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1C 193122060 CMXWTJMTQTYBGU-CMDGGOBGSA-N 297.310 3.808 30 20 CHED C=C(C)CCNC(=O)Cc1cccc(OCC=C(C)C)c1 415767481 NAXCKXLYVYDXRY-UHFFFAOYSA-N 287.403 3.657 30 20 CHED C[C@@H]1OCC[C@]1(C)/N=C(/O)CCc1ccc2[nH]ccc2c1 329685433 ZYMJFHCIYGXRMO-SJCJKPOMSA-N 286.375 3.625 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1ccc(F)c(C#N)c1 508058344 NBBRLUPHBBLNMK-UHFFFAOYSA-N 296.345 3.671 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)C(=O)C1(C#N)CCC1 609853155 BBAQPLSPCDEPBH-UHFFFAOYSA-N 297.185 3.646 30 20 CHED C[C@H]1CCC[C@@H]1Nc1cccc(OCCCC#N)c1 86675032 QYKLDFJISHZLKE-BBRMVZONSA-N 258.365 3.970 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(F)c(OC)c2)no1 426445594 MZDWRVXZBMJADT-UHFFFAOYSA-N 276.311 3.738 30 20 CHED C[C@@H](CC#N)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 194630970 TYCUHAJGGVHTEZ-QWRGUYRKSA-N 298.308 3.617 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CSc2ccccc21 424677746 JGWHDZAMTJXLGE-LBPRGKRZSA-N 261.390 3.552 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccccc1Cl 424550421 XWBFLONGIRZTBK-UHFFFAOYSA-N 265.784 3.901 30 20 CHED C#CCCCC(=O)N(Cc1cccc(Cl)c1)C(C)C 192143432 OVCOQYAHAMAFBU-UHFFFAOYSA-N 277.795 3.881 30 20 CHED CC(C)c1cccc2c1CCN(CCCSCC#N)C2 191894546 GTOMDYKZSSZCSV-UHFFFAOYSA-N 288.460 3.815 30 20 CHED C=CCOc1cccc(NC(=O)NCc2ccsc2)c1 48955454 TTWDMXFKABEBMA-UHFFFAOYSA-N 288.372 3.635 30 20 CHED C=CC1CCN(C(=O)NCc2c(F)cccc2Cl)CC1 517707609 UNIVWZHFLQAWMA-UHFFFAOYSA-N 296.773 3.587 30 20 CHED N#Cc1ccc(CN(C(=O)C2CCCCC2)C2CC2)cc1 193050054 HNZNQACZMGGQET-UHFFFAOYSA-N 282.387 3.630 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 134164663 BRRPHODKUDPJFC-OIISXLGYSA-N 299.418 3.909 30 20 CHED C=CCN(Cc1nc(CCCC)no1)Cc1cccs1 42631632 SMHJMDISYYWJEQ-UHFFFAOYSA-N 291.420 3.662 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](CC)Cc1ccccc1C 425577392 FMXMWKTZYUIZBH-WBVHZDCISA-N 286.419 3.714 30 20 CHED N#CCN[C@@H](c1cccc2ccccc12)C(F)(F)F 510406408 LXSJWFLGWGIWGM-ZDUSSCGKSA-N 264.250 3.556 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC=C(c2ccc(C)nc2)CC1 335554071 BLMBOXBCYIBQJL-UHFFFAOYSA-N 284.403 3.608 30 20 CHED CCC[C@@H](C)CC(=O)Oc1c(Cl)cc(C#N)cc1OC 195215341 SDQXVBJUDFBDCT-SNVBAGLBSA-N 295.766 3.952 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@@H](CC(F)(F)F)C1 420618449 CZZBPMJXGDXKAZ-JTQLQIEISA-N 286.272 3.866 30 20 CHED N#CCCCCN1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 339260519 ZIVGHAURUCJLSB-MWDXBVQZSA-N 260.425 3.971 30 20 CHED C[C@@H](C#N)CNc1nc(-c2ccccc2)nc2ccccc12 80757847 MEKHVZOPXUXFCH-ZDUSSCGKSA-N 288.354 3.868 30 20 CHED C[C@@H]1CCN([C@H](C(=N)O)c2ccc(C#N)cc2)C[C@@H](C)C1 332234118 QEWSCCUGCUZPGN-WWGRRREGSA-N 285.391 3.503 30 20 CHED CC(C)N(Cc1cc(C#N)n(C)c1)[C@H](C)c1ccsc1 421372789 MRDQBEVHZRZBBZ-CYBMUJFWSA-N 287.432 3.930 30 20 CHED COc1cccc2c(N[C@@H]3CC[C@H](C#N)C3)c(C)cnc12 425269076 BEUHWHKKKVPMAQ-QWHCGFSZSA-N 281.359 3.656 30 20 CHED CCCc1nc(/C(O)=N/[C@@H]2CCCC[C@@H]2SCC)co1 330403574 GUNFULDPJIGZDG-YPMHNXCESA-N 296.436 3.996 30 20 CHED C#CCCCC(=O)Nc1ccccc1CCC(F)(F)F 192384185 LKJHSRIDEORNLA-UHFFFAOYSA-N 283.293 3.924 30 20 CHED CC(C)c1ncsc1/C(O)=N/[C@@H]1CCO[C@@H](C(C)C)C1 331351318 YWZOXCQQNVDWCF-VXGBXAGGSA-N 296.436 3.775 30 20 CHED Cc1cscc1NC(=O)c1cc(C#N)ccc1Cl 334267917 BRMUAULCLJCELS-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1c(C(=O)NCC(C)(C)C#N)sc2cc(F)ccc12 336329124 CNKFUEKMZOZTRR-UHFFFAOYSA-N 290.363 3.628 30 20 CHED C=C1CCN(C(=O)c2ccc(C)c(Br)c2)CC1 266930298 MNJZJXVRFVBNQC-UHFFFAOYSA-N 294.192 3.550 30 20 CHED C=CCC[C@@H](NC(=O)NCCC1CC1)c1ccccc1 435116841 QOCMOUIQKNGOLD-MRXNPFEDSA-N 272.392 3.793 30 20 CHED CCCCOc1ccc(CN(C)[C@H](C)CC#N)cc1 93090875 WCXBDGUUPOLIDB-CQSZACIVSA-N 260.381 3.599 30 20 CHED C=C[C@H](C)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 237542749 UUYZMRGNHLXPSF-VIFPVBQESA-N 284.186 3.933 30 20 CHED C=C(C)COc1cccc(N[C@H](CCC)C(=O)OCC)c1 439595406 JXBIDIZAVYLCLW-MRXNPFEDSA-N 291.391 3.785 30 20 CHED C[C@H](CCC1CCCCC1)N=c1ccc(C#N)c[nH]1 523752980 ASUUTCYYDCMNDF-CYBMUJFWSA-N 257.381 3.536 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(C)cc(C)cc1C 435726952 STAGMBFDNYWSGS-AEFFLSMTSA-N 273.420 3.683 30 20 CHED N#Cc1ccccc1SCCc1ccc([N+](=O)[O-])cc1 439695196 FAROLHZMBSVURI-UHFFFAOYSA-N 284.340 3.801 30 20 CHED N#Cc1ccccc1CN1CC[C@H](c2c(F)cccc2F)C1 346084588 SSSJUENTLRRKEG-HNNXBMFYSA-N 298.336 3.826 30 20 CHED Cc1ccc([C@@H]2CCN(C(=O)C3(C#N)CC(C)C3)C2)c(C)c1 526945584 JBUHRYIZLIUIRM-NLGTXKQRSA-N 296.414 3.559 30 20 CHED CC(C)(CCC#N)CNCc1cc2c(F)cccc2[nH]1 342320810 RETRWUOBAISCIW-UHFFFAOYSA-N 273.355 3.727 30 20 CHED CCC1(C)CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 522435215 HJJNXIXQMBBEDR-CQSZACIVSA-N 299.418 3.841 30 20 CHED N#CC1(CSCc2ccccc2Br)CC1 344467247 CADVYUNJXPIMEM-UHFFFAOYSA-N 282.206 3.986 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@]2(C)C[C@H]3CC[C@H]2C3)c1 529473097 QICDHIMLYUBGBG-JDFRZJQESA-N 268.360 3.632 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC1(C#N)CC1 343284325 RDKWFEJLIFRWQP-GFCCVEGCSA-N 277.437 3.872 30 20 CHED C=C[C@@H](C)NC(=O)CCSc1ccccc1Cl 340532364 VWVYNAPIELUXHH-SNVBAGLBSA-N 269.797 3.513 30 20 CHED C=CC[C@H]1N(C(=O)c2cnccc2C)CCCC1(C)C 347424970 HCQDFQHMGFDGIV-OAHLLOKOSA-N 272.392 3.597 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cc2cc(C)ccc2o1 529520477 SPMVEOBJVSEWEW-UHFFFAOYSA-N 284.359 3.687 30 20 CHED C=CCCC(=O)Nc1scnc1-c1ccccc1 341678762 XXARCBOTBXMWAP-UHFFFAOYSA-N 258.346 3.715 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(OC)c2ccccc12 602391963 PSPYRGWVJPTXTB-QGZVFWFLSA-N 282.343 3.727 30 20 CHED N#Cc1ccc(=NCC2(c3ccc(Cl)cc3)CCC2)[nH]c1 608885746 LRFAJKOLOMLTEE-UHFFFAOYSA-N 297.789 3.562 30 20 CHED Cc1cc(NCCCSc2ccccc2)cc(C#N)n1 341172634 RBFZVBRVBRTALM-UHFFFAOYSA-N 283.400 3.856 30 20 CHED C[C@H](CCC#N)CN[C@H]1C[C@H](c2ccc(F)cc2)C1 602672275 YEFWASVJRDWPIN-XNRPHZJLSA-N 260.356 3.601 30 20 CHED C=CCN(CC[C@H]1CCCO1)Cc1ccc(Cl)s1 345780480 IHLJMYKIXUVMMW-GFCCVEGCSA-N 285.840 3.959 30 20 CHED CC(C)CN(C)c1c(C#N)cnc2c(F)c(F)c(F)cc12 341936966 WDDSTSPFDIXKRS-UHFFFAOYSA-N 293.292 3.616 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCCSC1 341029271 ACMCEMHCRQEWTL-LBPRGKRZSA-N 293.457 3.590 30 20 CHED C=CCCCC[C@H](C)NCCc1nn(C)c2ccccc12 449247412 GCNHYCOZZQZAAL-HNNXBMFYSA-N 285.435 3.840 30 20 CHED COC1(CCN[C@@H]2CCCCc3cc(C#N)ccc32)CCC1 340441949 SEVXIKJWDOBTGQ-GOSISDBHSA-N 298.430 3.875 30 20 CHED CCCc1sc(C(=O)N[C@H](CC)CC#N)cc1CC 183915394 PLVMGAHJXWCAFA-GFCCVEGCSA-N 278.421 3.685 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1N[C@H]1CC[C@H](C#N)C1 442847301 QCCGRTOIBIZVCU-YQYZPQCESA-N 268.404 3.982 30 20 CHED C=CC(C)(C)CN[C@H](C)CCc1n[nH]c2ccccc12 449484574 HZZCHIPWFXLIDM-CYBMUJFWSA-N 271.408 3.686 30 20 CHED C=C(C)CCNC(=O)CSc1ccccc1Cl 448551275 ZLVWQYFQILKJNF-UHFFFAOYSA-N 269.797 3.515 30 20 CHED Cc1ccc(C(=O)/C=C\c2scnc2C)cc1[N+](=O)[O-] 255195996 SRRMOUSDXGPMQU-WAYWQWQTSA-N 288.328 3.564 30 20 CHED C=C(C)CCN[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 351754497 BYUZAPXNXCBLHD-KRWDZBQOSA-N 289.419 3.934 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)NCC(C)(C)CCC#N)C1 358701547 ZBBQEAHQDIJAOZ-KBPBESRZSA-N 279.428 3.536 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N 609431672 SUVWHHVADVJPBA-TUAOUCFPSA-N 274.389 3.675 30 20 CHED C[C@@H](CC#N)NCc1nc(C2CCCCC2)cs1 602868324 ALZWHBAPTDAXBU-NSHDSACASA-N 263.410 3.583 30 20 CHED C=CCN(C)C(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 442044974 CGVCOSBEHKRARC-SDDRHHMPSA-N 291.420 3.696 30 20 CHED C[C@H](c1noc(-c2cccc(C#N)c2)n1)c1cccs1 357016284 MWDXGLXQPVTWDM-JTQLQIEISA-N 281.340 3.822 30 20 CHED CCC(CC)N(C(=O)Nc1ccc(CC#N)cc1)C1CC1 531182177 TUCDDIQOXMBJAB-UHFFFAOYSA-N 285.391 3.938 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(C)cc(OC)c(C)c1C 352928168 LPYGVBVEHSRSHA-LLVKDONJSA-N 276.380 3.707 30 20 CHED COc1cc(Br)cc(N[C@H]2CC[C@@H](C#N)C2)c1 442857401 PMRQGXVAYYXGAW-KOLCDFICSA-N 295.180 3.562 30 20 CHED CCC(CC)(C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 611251435 UEMDTPZICPSFFU-MRXNPFEDSA-N 286.419 3.799 30 20 CHED N#Cc1ccn(CCCOc2ccc3ccccc3c2)c1 535879544 IADGCFYHHVJENU-UHFFFAOYSA-N 276.339 3.982 30 20 CHED C=C(C)CCNC(=O)C1(c2ccccc2)CCCC1 448551632 GCUOWJGNWCNAFF-UHFFFAOYSA-N 257.377 3.581 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCN(C)c3ccccc32)CCCC1 619108310 RMIRPSUXSOXGQM-MRXNPFEDSA-N 298.430 3.615 30 20 CHED Cc1cccc(-c2ccc(NC(=O)C3(C#N)CCC3)nc2)c1 530267584 UPONYWRHHUPSPF-UHFFFAOYSA-N 291.354 3.689 30 20 CHED CC[C@H](CNCc1ccc(C#N)cc1)Oc1cccc(C)c1 531206302 RFGTZEWKAHVMTC-GOSISDBHSA-N 294.398 3.814 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3ccc(O)cc23)s1 360636982 JCSXSYCOQNWBTC-UHFFFAOYSA-N 294.335 3.731 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC[C@H](CC(C)(C)C)C1)OCC 457021283 NQOPCOKAGJIJQD-HUUCEWRRSA-N 281.440 3.642 30 20 CHED C=C[C@H](CC(=O)N[C@@H](CC)C(F)F)c1ccccc1 452251871 UPOWYFRCWKFZGC-YPMHNXCESA-N 267.319 3.506 30 20 CHED CS[C@H](C)CN[C@@H]1CCCCc2cc(C#N)ccc21 360657355 NULJDDHQFYHZJJ-MLGOLLRUSA-N 274.433 3.667 30 20 CHED CCSCC[C@@H](C)N(C)c1nc(C)c(C#N)cc1Cl 360081890 IDCAQJMXDSCAPF-SNVBAGLBSA-N 297.855 3.883 30 20 CHED CCc1ccc2nc(-c3ccc(OC)c(C#N)c3)[nH]c2c1 536143261 YMQAQOJICLAOKH-UHFFFAOYSA-N 277.327 3.673 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1nnn(-c2ccccc2)c1C 539510248 SIHNJWSNJUHKNT-LSDHHAIUSA-N 298.434 3.971 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@]2(CCSC2)C1 456821465 HMXPKSLEBDSMJY-MRXNPFEDSA-N 279.449 3.501 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(CC#N)cc1 612121893 SIZNLUJEEXXCQR-IUODEOHRSA-N 296.336 3.915 30 20 CHED COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1C#N 534639660 HTJWQBLMXKXEDF-UHFFFAOYSA-N 283.718 3.764 30 20 CHED C=CCC(C)(C)CNC(=O)COCc1cccc(Cl)c1 457823100 NXKBPCIAHAGDBW-UHFFFAOYSA-N 295.810 3.575 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(COCC)c1)OCC 270023696 FVRYRKOLMIFVRI-INIZCTEOSA-N 291.391 3.533 30 20 CHED C=CCC[C@@H](NCc1cc(OC)ccn1)c1ccccc1 273019055 BRKSYEUITQADPH-GOSISDBHSA-N 282.387 3.887 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(Cc3ccccc3)CC2)C1 617783282 XGRSQKAQOCNLKC-QGZVFWFLSA-N 283.415 3.824 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(c3ccccc3OC)CC2)C1 617786015 RZDLFTZFODNZKR-HNNXBMFYSA-N 299.414 3.542 30 20 CHED CC[C@H](NCC[C@@H]1CCCCO1)c1ccc(C#N)cc1 278871363 WZLFDIFKZNAQID-IRXDYDNUSA-N 272.392 3.558 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H](c2cccc(F)c2)C1 271176494 UOHHVCBJGKIQDI-OAHLLOKOSA-N 274.383 3.945 30 20 CHED C=C(CC)CNC(=O)Cc1cc2ccccc2s1 456823344 BQCRUMXJDHUMJF-UHFFFAOYSA-N 259.374 3.526 30 20 CHED C=CCCc1noc([C@@H](C)Cc2cccc(F)c2)n1 453251362 ZXMMLEHXDPWSCK-NSHDSACASA-N 260.312 3.674 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(Cl)c(C#N)c1 543454912 NFBBFTAGAXKWRB-MFKMUULPSA-N 276.767 3.615 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1nc(C(C)(C)C)cs1 450728600 MAYAHQXUYRNXMF-NSHDSACASA-N 277.437 3.785 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)c1ccc(CC)cc1 452773328 IKQHDBRNYUSYQL-ZDUSSCGKSA-N 259.393 3.681 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](CC1CCCC1)C(C)C 546571803 XSDAIMODODAHPN-CABCVRRESA-N 264.413 3.647 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc3[nH]ccc3c2)no1)OCC 273696620 KJASCEAWSPUEJS-OAHLLOKOSA-N 297.358 3.742 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H](C)C1 547956051 YCYIVRPVFYDJRT-UEKVPHQBSA-N 290.794 3.766 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 456987014 PTMSTZSKZKAMMT-MUQADHOPSA-N 273.420 3.649 30 20 CHED CC(C)[C@@H]1N(C(=O)C2(C#N)CCCCC2)CC12CCCC2 457154497 AJCDPCJEJZESEO-HNNXBMFYSA-N 288.435 3.888 30 20 CHED COc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1C 273070682 NDBMWOXNVGPCTA-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C=CCN(C(=O)c1cc(-c2ccccc2)on1)C(C)(C)C 622943187 RHPIHIGZQIUKGF-UHFFFAOYSA-N 284.359 3.768 30 20 CHED C#CC[C@H](NC(=O)CCCc1cccs1)c1ccccc1 270462600 MIZSSJAYFRUINZ-KRWDZBQOSA-N 297.423 3.952 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](c1ccccc1)C1CC1)OCC 270014295 GSJKQLXHECFDDD-FUHWJXTLSA-N 287.403 3.625 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2cccc(C)c2F)no1)OCC 279097715 WWORDCCZAKOMAB-CYBMUJFWSA-N 290.338 3.708 30 20 CHED C=C(C)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273515562 PFUCTCIXJITUSH-HZPDHXFCSA-N 263.356 3.554 30 20 CHED CC(C)(C)CCCNC(=O)c1ccc(Cl)c(C#N)c1 542707900 NRJMTUTVVGOAHP-UHFFFAOYSA-N 278.783 3.768 30 20 CHED Cc1cccc(F)c1NC(=O)[C@H](C)c1cccc(C#N)c1 464278998 FPTZISNLKQPNRB-GFCCVEGCSA-N 282.318 3.748 30 20 CHED C=CCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 285967629 AWWARVACJHQKLK-BRWVUGGUSA-N 269.388 3.747 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@H]1[C@@H](C)CCC 558455932 NIFPBFPRYTTXTC-GJZGRUSLSA-N 290.455 3.993 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Cl)cc1Cl 464901571 HGJCYLVXNQTSKN-SSDOTTSWSA-N 259.136 3.689 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1cccc(Cl)c1 282852783 SYSRSXSPPVHFPR-BXUZGUMPSA-N 250.773 3.553 30 20 CHED C[C@H]1CCCC[C@H]1NC1(c2cccc(C#N)c2)CC1 556608149 FETZHSMSAVVVIZ-XJKSGUPXSA-N 254.377 3.716 30 20 CHED C=CC[C@H](CC)NC(=O)C12CC3CC(CC(C3)C1)C2 466538635 HXARHOQZNKTDEQ-RDVIWEACSA-N 261.409 3.674 30 20 CHED CCCCCCCCC(=O)N1CCC([C@@H]2CCNC2)CC1 377742744 HTBGQXUPFPTTRL-QGZVFWFLSA-N 294.483 3.585 30 20 CHED C=CCN(C(=O)NCC1(CC(C)C)CCC1)C1CC1 557238579 DWJZHPLUEXFXMP-UHFFFAOYSA-N 264.413 3.563 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1C 460945529 AVHVRLNTUORIFG-ZIAGYGMSSA-N 290.455 3.678 30 20 CHED CC(C)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 463296394 TYJNSJWCWLYPCP-WBVHZDCISA-N 256.393 3.982 30 20 CHED CC1(C)CC[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 287289540 YWCIUAYDBCYLJY-GFCCVEGCSA-N 277.755 3.522 30 20 CHED CCc1occc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 281885775 DCCFAHLSSSILQK-UHFFFAOYSA-N 282.343 3.895 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(c2ccc(C#N)cn2)C1 286631859 VGIRCQGURVEQSX-BBRMVZONSA-N 263.344 3.541 30 20 CHED C[C@@H](NCC(C)(F)F)c1ccc(C#N)cc1Cl 559886906 SZUUKDQLCAZTOE-MRVPVSSYSA-N 258.699 3.517 30 20 CHED Cc1ccc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)cc1 806561344 UOQNGBDHIRLNPS-OOXMNIKJSA-N 292.334 3.833 30 20 CHED CC(C)C(CNC(=O)c1cc(C#N)ccc1Cl)C(C)C 552496336 GQUVGIXPYLPUOB-UHFFFAOYSA-N 292.810 3.870 30 20 CHED C#C[C@@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C 809781215 JKFIYEZTALQAOD-CZUORRHYSA-N 288.391 3.553 30 20 CHED CC[C@H](CSC)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 809767000 DIQNKYUPYUHCCF-DZGCQCFKSA-N 292.448 3.551 30 20 CHED Cc1csc(NC(=O)N2CC(C)(C)C[C@H]2C)c1C#N 567483136 LOGKMQMRJLULSG-SNVBAGLBSA-N 277.393 3.581 30 20 CHED C#C[C@H](NCc1nc2ccccc2n1CCC)C(C)(C)C 809781239 KJGHHDXFFSKQMO-INIZCTEOSA-N 283.419 3.584 30 20 CHED CC[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)C(C)(C)C 560529068 ITJWVMFYPAWWHP-GOSISDBHSA-N 299.462 3.941 30 20 CHED C#CCCCNC(=O)/C=C/c1cc(Cl)cc(Cl)c1 700593091 KBZLGRKYIHTGMT-AATRIKPKSA-N 282.170 3.536 30 20 CHED Cc1c(COC(C)(C)C)cccc1NC(=O)C(C)(C)C#N 474763121 HXQNEXZYZVLFBY-UHFFFAOYSA-N 288.391 3.798 30 20 CHED CC(C)[C@@H](CC(=O)Nc1cccc(C#N)n1)c1ccccc1 567900307 ADAMABFUSJFQAE-MRXNPFEDSA-N 293.370 3.722 30 20 CHED CC(=NNc1cncc(Cl)n1)c1c(F)cccc1Cl 807962002 AEVHMPVCDWLAFN-UHFFFAOYSA-N 299.136 3.759 30 20 CHED CCCC[C@H](SCc1cc(F)ccc1C#N)C(=O)OC 475887626 WQKPWXYDXNBXNI-AWEZNQCLSA-N 295.379 3.662 30 20 CHED C[C@H]1CCC[C@@H](OC(=O)c2cc(C#N)ccc2Cl)C1 807930444 JBPPISYPPZQKSU-CMPLNLGQSA-N 277.751 3.947 30 20 CHED C#Cc1ccc(CNC[C@H](C)c2ccc(F)cc2)cc1 809615652 ANSDKFHSSORQCT-AWEZNQCLSA-N 267.347 3.700 30 20 CHED CCOc1cccc(C(C)=NOC/C=C\Cl)c1 811669594 QXAVZJMUVDBOLB-MBCYWTQPSA-N 253.729 3.578 30 20 CHED CO[C@]1(C)CC(=NNc2ccc(F)c(F)c2F)C1(C)C 814946756 XCQMEGGVAQDMJK-CQSZACIVSA-N 286.297 3.707 30 20 CHED CCCCCCCOC(=O)c1conc1C1CC1 810540140 YHEZONDCOGRUNO-UHFFFAOYSA-N 251.326 3.679 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)C1(OC)CCOCC1 817419112 AZKCVPIRVNMVMU-HOTGVXAUSA-N 285.472 3.909 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@@H]1[C@H](C)CCC 563654786 FQMGTDSLBCFEQY-UKRRQHHQSA-N 288.439 3.747 30 20 CHED CCOc1ccc(NN=C(C)c2ccccc2O)cc1 814983817 QHJUFMJRERJBRQ-UHFFFAOYSA-N 270.332 3.627 30 20 CHED CC(C)[C@@H](CC(=O)N[C@]1(C#N)CC1(C)C)c1ccccc1 484904193 BJLVGYYBDOBYQT-QAPCUYQASA-N 284.403 3.625 30 20 CHED CCC(=NOC1CCOCC1)c1ccccc1OC(F)F 814907457 KHIGPPLVBBIEIY-UHFFFAOYSA-N 299.317 3.598 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc(CCC)cc2)CC1 482645482 YKOJQQMXCSQHSQ-MRXNPFEDSA-N 286.463 3.940 30 20 CHED CC(Cn1cccn1)=NNc1ccnc2cc(Cl)ccc12 814693876 LRUAYIOITPDJRR-UHFFFAOYSA-N 299.765 3.573 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)c(F)c2)ccc1F 484080021 MDMWZMHYYRVVMA-LBPRGKRZSA-N 286.325 3.996 30 20 CHED C#Cc1ccc(C=NNc2ccc(F)c(F)c2F)cc1 814945877 VBPWJJAWYOETLI-UHFFFAOYSA-N 274.245 3.531 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc2ccn(C)c12 489037833 GUIBYFBAYIKDLQ-AWEZNQCLSA-N 283.375 3.751 30 20 CHED FC(F)CNN=C1CCCC[C@@H]1C1CCCCC1 814854705 UUJWDYCLNLRWCY-GFCCVEGCSA-N 258.356 3.968 30 20 CHED CC(CCCCCCC(=O)O)=NNc1cccc(Cl)n1 814939376 OHEWIIBXIAJQTF-UHFFFAOYSA-N 297.786 3.948 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(OC)cc1Cl 818332932 RWHKYXBJZLTJOQ-SECBINFHSA-N 260.164 3.752 30 20 CHED C=CCC(F)(F)C(=O)OCc1ncc(Cl)cc1Cl 815311436 KHQCDYIWEJODLF-UHFFFAOYSA-N 296.100 3.643 30 20 CHED N#Cc1cccnc1/C=C/c1ccccc1Br 486073559 CWFOTEMRTHQVLC-BQYQJAHWSA-N 285.144 3.886 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H](C)c2ccccc2)cc1 728713187 STXNUPBHGRJXLZ-JKSUJKDBSA-N 294.398 3.871 30 20 CHED C=CC1CCN(C(=O)c2scc(C)c2Cl)CC1 480097451 SYDFJVLDAWQLES-UHFFFAOYSA-N 269.797 3.748 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@H]1CCC[C@@H](C)C1 482736352 OKEYTPMZGWARIM-CABCVRRESA-N 287.403 3.902 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H]1C[C@H]1C 571728399 GFKQUHUNFOEOBA-JHJVBQTASA-N 288.416 3.923 30 20 CHED C=CCCCCCCCNC(=O)/C=C\c1ccc[nH]1 811590190 SCMTTWPQVXWFNV-QXMHVHEDSA-N 260.381 3.671 30 20 CHED FC(F)(F)c1ccccc1C=Nn1cnc2ccccc21 725849622 OBSOQHAHLHVMOO-UHFFFAOYSA-N 289.260 3.937 30 20 CHED C=CCCOC(=O)[C@H](C)Sc1ccccc1Cl 729072726 WHIRMTSAPDPDIQ-JTQLQIEISA-N 270.781 3.940 30 20 CHED CCN(CCC#N)C(=O)[C@@H](CC1CCCCC1)C(C)C 490123601 ZNMYDQKAVDOLLE-INIZCTEOSA-N 278.440 3.991 30 20 CHED COC(=O)CC[C@@H](/N=C\c1ccccc1O)c1ccccc1 729936269 NITORFUEXKCJPM-YZYPPFLQSA-N 297.354 3.506 30 20 CHED C=C(CNC(=O)NCCc1ccc(C)cc1)c1ccccc1 497628992 RFFKCSUAAJSBKR-UHFFFAOYSA-N 294.398 3.550 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1cccc(Cl)c1 492103014 GTMYJRMOCIWEAW-AWEZNQCLSA-N 278.783 3.590 30 20 CHED C[C@H]1CCCC1=NNc1ccc(C(F)(F)F)cn1 729141015 RWYURVQYSLGMBP-QMMMGPOBSA-N 257.259 3.688 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(N(C)C)cc2C)no1 573246296 CXSHHYOULLNHMW-QGZVFWFLSA-N 285.391 3.965 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)nc1 728863297 KUFSAHWOYSBUEW-QGZVFWFLSA-N 296.414 3.638 30 20 CHED C#CCCCOC(=O)/C=C\c1cccc(OC2CCCC2)c1 727955516 ZKONWKGWVMYCCQ-SEYXRHQNSA-N 298.382 3.978 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cc(C)ccc2F)cc1 589075377 ZTNAHBZWWZDADC-KRWDZBQOSA-N 296.345 3.691 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Cl)cc1F 490029379 JMSYEZHUROMMMC-UHFFFAOYSA-N 269.747 3.811 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2cnccc2C)CCCC1 664571011 HUYSPLDMIYKLPP-CQSZACIVSA-N 287.407 3.639 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C/c2ccccc2)c1 821022518 RSITWVCBPLRPKE-VAWYXSNFSA-N 265.356 3.644 30 20 CHED CC(C)(C#N)c1ccccc1CNc1ccccc1C(=O)O 826081340 OTVBNOFAFUXXOF-UHFFFAOYSA-N 294.354 3.798 30 20 CHED C=CC[C@H]1CCCN(Cc2ncccc2C(F)(F)F)C1 661386890 VSNSTERQBOHEJI-LBPRGKRZSA-N 284.325 3.889 30 20 CHED N#CC1(CCCCOc2cccc3c2OCCO3)CCC1 902728817 BJODSKVBVINSHK-UHFFFAOYSA-N 287.359 3.701 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccccc1SC(C)C 491252017 DVHBYFVOEWDVGO-GFCCVEGCSA-N 276.405 3.673 30 20 CHED CC(C)(C)c1nc(CSCCCCC#N)co1 901815131 JVVWKSOLSUUZCA-UHFFFAOYSA-N 252.383 3.899 30 20 CHED C=CC[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1 664256831 RPPGKFGCIDDMAZ-VIFPVBQESA-N 276.327 3.954 30 20 CHED Clc1nccnc1NN=Cc1cccc2ccccc12 733079593 OGHPCBPQIQCGSB-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ncc(C(C)C)o1 733308004 FWLUTVCASNQZNC-UHFFFAOYSA-N 286.350 3.573 30 20 CHED C#CCOc1ccccc1NC(=O)CC1(C#N)CCCCC1 832448915 RYXTZSADCAWDNQ-UHFFFAOYSA-N 296.370 3.501 30 20 CHED CC(C)(CC#N)CNCc1ccc2ccccc2c1O 839163118 IIGDJFULEUGWSS-UHFFFAOYSA-N 268.360 3.575 30 20 CHED C=CCC(F)(F)C(=O)Nc1sc(C)c(CC)c1C#N 839270758 AZFDLTQYENXOSQ-UHFFFAOYSA-N 284.331 3.641 30 20 CHED Cc1ccc2cccc(NC(=O)C#CC(C)(C)C)c2n1 837388773 DLBQTESJKMLKQT-UHFFFAOYSA-N 266.344 3.531 30 20 CHED CC(=NNc1cccnn1)c1cc2cc(Cl)ccc2o1 735976515 JBBMXOOJDFZUER-UHFFFAOYSA-N 286.722 3.712 30 20 CHED C=C(CNC(=O)[C@@H](C)C(CC)CC)c1ccccc1 672480024 ANMFRKQAGFVFFF-AWEZNQCLSA-N 259.393 3.888 30 20 CHED Oc1cccc(/C=N/[C@@H](Cc2ccccc2)C2CC2)c1O 736430839 JQEDJZCXDXOCNW-QUYZQLMHSA-N 281.355 3.538 30 20 CHED C=CCC1(NC(=O)Nc2cnn(CCC)c2)CCCCC1 836430568 CIKVPRWQNGRLIN-UHFFFAOYSA-N 290.411 3.694 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccc(C)cc2O)cc1 834890435 JTXQJUNVUWUOTJ-OAHLLOKOSA-N 295.382 3.563 30 20 CHED COc1cc(C#N)ccc1OC(=O)C=C1CCC(C)CC1 734101528 MDXZTHQGZBPLFY-UHFFFAOYSA-N 285.343 3.609 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccc(C)s1 730147731 JCZRIGLLCLEPRG-UHFFFAOYSA-N 281.384 3.863 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@H]2CCc3ccccc32)c1 731937676 MQMBTVGEGTWXKK-CTFRJJSNSA-N 295.382 3.940 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2cccc(C(F)F)c2)C1 839058980 NENDBGPZUMZFJJ-TZMCWYRMSA-N 293.313 3.792 30 20 CHED Cc1ccc(-c2ccc(N3CCCC3)nc2)cc1C#N 592986273 GKLSWJIFFZQLLU-UHFFFAOYSA-N 263.344 3.529 30 20 CHED CCC(C[C@@H](C)CC)=NNC(=S)NCc1ccccc1 915942487 BTJXHJGKYHWKPN-ZDUSSCGKSA-N 291.464 3.853 30 20 CHED Cc1sc(NC(=O)c2ccc(C#N)cc2)nc1C(C)C 597895612 ZJKRCGRHZSIVQY-UHFFFAOYSA-N 285.372 3.699 30 20 CHED CC(=NNc1cncc(Cl)n1)c1ccc(F)cc1Cl 914556577 AJSWAXPETZLNMK-UHFFFAOYSA-N 299.136 3.759 30 20 CHED C=CC1CCN(C(=O)c2csc3c2CC[C@H](C)C3)CC1 599677292 ZCZYIXRCNUMQPD-LBPRGKRZSA-N 289.444 3.911 30 20 CHED CCc1cc(C(=O)N(C)CCC#N)sc1-c1ccccc1 594259399 YLDTWLLJKVBHTQ-UHFFFAOYSA-N 298.411 3.963 30 20 CHED CN(CCCOc1ccccc1)[C@H](C#N)c1ccccc1 595287855 NVODHFWXSQZRBU-GOSISDBHSA-N 280.371 3.652 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](CC#N)C1 597909530 MZXMXSMNAXKOHN-MSOLQXFVSA-N 298.430 3.654 30 20 CHED C=C(Cl)CNc1cc(OC)ccc1OC(C)C 849314668 OEUMHWODBFMHCE-UHFFFAOYSA-N 255.745 3.647 30 20 CHED CCO[C@H]1CC(=NNc2ccccn2)C12CCCCC2 741455838 MTZJOOJKWNRUMA-AWEZNQCLSA-N 273.380 3.609 30 20 CHED O=C1/C(=C/C2=Cc3ccccc3OC2)Oc2ccccc21 742437115 QRRHCUVPTIHMBC-YVLHZVERSA-N 276.291 3.622 30 20 CHED C=CCn1c(S[C@@H](C)C(C)C)nc2sccc2c1=O 591038692 RSYWBZRRIYAHQN-JTQLQIEISA-N 294.445 3.781 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(-c2ccccc2)cnc1C 677674838 MVYMQTAHGUBYKD-LBPRGKRZSA-N 281.359 3.753 30 20 CHED N#CC1(CC(=O)N2CCCOc3ccccc32)CCCCC1 598829196 UKPZOGVUGRVKCA-UHFFFAOYSA-N 298.386 3.666 30 20 CHED C[C@@H]1CC[C@@H](CCC(=O)OCCC2(C#N)CCCCC2)O1 840242484 ZKIIMQZBCUBCLL-CABCVRRESA-N 293.407 3.741 30 20 CHED CC[C@@](C)(C#N)C(=O)OCC[C@H]1CCc2ccccc21 849775371 IKSMVTORCDKNNZ-PBHICJAKSA-N 271.360 3.590 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc2ccncc12 592593439 SRVSTFVJWDXMLA-UHFFFAOYSA-N 295.386 3.637 30 20 CHED Cc1cc(Cl)ccc1NC(=O)C#Cc1ccccc1 747202065 WAHFPKIBNNLORM-UHFFFAOYSA-N 269.731 3.639 30 20 CHED CCCON=C(C)c1ccc(Cl)c(Cl)c1O 842556276 JQZJYKQAPSTFDP-UHFFFAOYSA-N 262.136 3.850 30 20 CHED C=C(CNC(=O)C1(c2ccccc2)CCC1)c1ccccc1 673341858 ZXOLUCWRGVOCNW-UHFFFAOYSA-N 291.394 3.938 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@@H](C)c1ccco1 741521710 SDPUROXVAOABDN-LBPRGKRZSA-N 286.327 3.726 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@]2(CCSC2)C1 590763904 PVNQXZNWXUHKEJ-QGZVFWFLSA-N 286.444 3.586 30 20 CHED C#CC1CCN(C(=O)c2sccc2-c2ccccc2)CC1 843708767 HCWUFXTVABCBGN-UHFFFAOYSA-N 295.407 3.901 30 20 CHED N#Cc1cccc(NN=C2CCc3c(F)ccc(F)c32)c1 749613301 XMKMLSXIUOCGDE-UHFFFAOYSA-N 283.281 3.599 30 20 CHED Cc1ccc(C/N=C\c2cc3ccccc3nc2O)s1 915982294 VYEYJZCDODASNY-MFOYZWKCSA-N 282.368 3.929 30 20 CHED C=CCCSCCN[C@@H](c1cncc(F)c1)C1CC1 595058283 GIUCXMWVWWTCAW-OAHLLOKOSA-N 280.412 3.571 30 20 CHED C=CCOc1ccccc1CNc1nc(C)cc(CC)n1 680957861 PBOFJBBRNVXMDL-UHFFFAOYSA-N 283.375 3.524 30 20 CHED CC[C@@H](C#N)C(=O)NC(C)(c1ccccc1)c1ccccc1 593453409 FTWJRXXYYFXJBZ-HNNXBMFYSA-N 292.382 3.616 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1cc(C)oc1C 915976098 IKXLBKBOPXSPIQ-UHFFFAOYSA-N 278.302 3.688 30 20 CHED C[C@H](OC(=O)[C@H](C)c1ccco1)c1cccc(C#N)c1 744101878 MCRMRJXMMRUNMK-NEPJUHHUSA-N 269.300 3.559 30 20 CHED Cc1nnc([C@H](C)ON=Cc2ccccc2C(F)(F)F)o1 742351935 IDLWNSNKVYIOEW-QMMMGPOBSA-N 299.252 3.509 30 20 CHED Cc1ccsc1CCCC(=O)N1CCC[C@H](CC#N)C1 597908461 SWGGWHXDCPWBQK-CQSZACIVSA-N 290.432 3.532 30 20 CHED C=CCC1(C(=O)Nc2cnn(C3CCCC3)c2)CCC1 928794064 NHHJZDINSDJDGY-UHFFFAOYSA-N 273.380 3.683 30 20 CHED N#CC1(CNCc2ccc(CSC(F)F)o2)CCC1 841898586 OJNYPYXJDYOWBE-UHFFFAOYSA-N 286.347 3.519 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1cc(C#N)ccc1F 748801547 ZQOMVXDBXYSQGH-NSHDSACASA-N 295.379 3.662 30 20 CHED C=CCCSCCNC(=S)N[C@H](C)c1ccccc1 849278328 MVWMYPPSSJROIQ-CYBMUJFWSA-N 294.489 3.521 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cnn(C2CCC2)c1 921980740 NVJTVIKZNVEHOK-CYBMUJFWSA-N 296.374 3.511 30 20 CHED C=CCOc1cccc(NC(=O)/C=C2/CC[C@@H](C)C2)c1 753594771 UNTGRBPKSYBCPM-KECPUOCWSA-N 271.360 3.936 30 20 CHED C#CCCOC(=O)CCCc1cc(Cl)sc1Cl 756236792 SRTAUYKUXQGXPL-UHFFFAOYSA-N 291.199 3.944 30 20 CHED Fc1ccc(Cl)cc1C=NNc1ccc(Cl)nc1 753709059 LRTYSHFDRVKKQZ-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC(C2CCCC2)CC1 684928804 ZNAHZYWTQHXJAA-MRXNPFEDSA-N 278.440 3.953 30 20 CHED CC[C@@H](C)C=NNc1ccc(Cl)cc1[N+](=O)[O-] 755651520 VQPHROIGCKPAST-MRVPVSSYSA-N 255.705 3.692 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1scnc1COC 851142162 GLBPNDDMLQYYNL-AAEUAGOBSA-N 295.404 3.581 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)cs1 759025316 FDCVCXXTWSMZLF-VIFPVBQESA-N 257.786 3.876 30 20 CHED CCCn1nccc1/C=C/C(=O)c1cccc(OCC)c1 853006160 ZMSXACUESCZGDH-CMDGGOBGSA-N 284.359 3.588 30 20 CHED C=CCC[C@@H](N[C@H](C)c1cn(C)cn1)c1ccccc1 925579947 OVGZCNQAXCNKHP-GDBMZVCRSA-N 269.392 3.778 30 20 CHED C=CCC1(NCc2csc(Cl)n2)CCCC1 852588052 NGDBOKWOTIWQCD-UHFFFAOYSA-N 256.802 3.775 30 20 CHED N#Cc1ccc(CCN[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 850345465 BDGIMNKEQGQTEH-CABCVRRESA-N 296.336 3.811 30 20 CHED Cc1cc(F)ccc1C=NNCc1ccccc1Cl 750935472 AASZXSBMFBVYNR-UHFFFAOYSA-N 276.742 3.911 30 20 CHED CC[C@@H](C)CCNCc1ccc(O[C@@H](C)C#N)cc1 850356493 WHZFFNIRPAELSX-KGLIPLIRSA-N 260.381 3.503 30 20 CHED COc1cc(C=NOCCC(C)C)cc(Cl)c1OC 754276410 NGMDXKKHVBBYBM-UHFFFAOYSA-N 285.771 3.754 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 757849693 BYKQMIZSTLMQLW-HNNXBMFYSA-N 272.392 3.601 30 20 CHED COC(=O)c1coc(C=NNc2cccc3ccccc23)c1 758108447 HRYIZQZPNLOUKF-UHFFFAOYSA-N 294.310 3.665 30 20 CHED C=C[C@H](OC(=O)CC1CCSCC1)c1ccccc1 851451733 LPWSHYYGJYKGQH-HNNXBMFYSA-N 276.401 3.990 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])cc1C 751205311 ACWYNXMHOBZRPB-YVMONPNESA-N 297.310 3.813 30 20 CHED C#CC[C@H](NC(=O)C1C(C)(C)C1(C)C)c1ccccc1 757577930 IKPJICBEYTXHMA-AWEZNQCLSA-N 269.388 3.549 30 20 CHED CC(C)(C)c1ccc(NN=C2CCCn3nccc32)cc1 853332121 OSAFIBRSVNJDCR-UHFFFAOYSA-N 282.391 3.791 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(Br)cc1 54400268 RFUXXPHEZMFEGN-JTQLQIEISA-N 282.181 3.593 30 20 CHED CCC[C@@H](C(=O)OCc1cc(C#N)ccc1OC)C(C)C 763857672 SUQFVQVLWWDKHA-OAHLLOKOSA-N 289.375 3.682 30 20 CHED CC#CCCOC(=O)c1cnn(C2CCCC2)c1CCC 760276117 QQPMGOHVVAYEDW-UHFFFAOYSA-N 288.391 3.521 30 20 CHED CC[C@](C)(C#N)NC(=O)CCc1cccc2ccccc12 865077651 GYMYBCVTLKSEBB-GOSISDBHSA-N 280.371 3.581 30 20 CHED FC(F)(F)c1ccc(C=NO[C@H]2CCCCO2)s1 761827653 HNWXCOBSDSNGLK-JTQLQIEISA-N 279.283 3.644 30 20 CHED CC(C)Nc1ccccc1NCc1cccc(C#N)c1 864042100 WBBNQTLCDZDHIH-UHFFFAOYSA-N 265.360 3.991 30 20 CHED C#CCOc1cccc([C@H](C)OC(=O)C(C#N)(CC)CC)c1 860534158 RBSNBWUIRVWQKT-AWEZNQCLSA-N 299.370 3.633 30 20 CHED C=C[C@@H](C)ON=C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 863123342 FVMXYCLULJPAFJ-CZUORRHYSA-N 296.411 3.601 30 20 CHED CC#CCCCC(=O)OC[C@H](C)c1ccc(OC)cc1 768010008 GRQWBXLKSLRLCM-AWEZNQCLSA-N 274.360 3.536 30 20 CHED C=CC[C@@H](NC(=O)N[C@H](C)CCC1CC1)c1ccncc1 769510862 STISPZDOXZZFOQ-CZUORRHYSA-N 287.407 3.577 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 767907745 SFWZLSRECFRRTC-QAPCUYQASA-N 286.419 3.990 30 20 CHED CCC(=NNc1ncncc1Cl)c1cc(C)ccc1C 863108303 KKFKRACDBCDLLS-UHFFFAOYSA-N 288.782 3.973 30 20 CHED CCCCCCC[C@@H](C)NCCc1cn2c(n1)SCC2 768531578 FQPBEBPBFNJEQT-CQSZACIVSA-N 295.496 3.870 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@H]1C[C@@H]1C1CC1 768038604 NDZQXKZYOYSTKK-CABCVRRESA-N 283.371 3.577 30 20 CHED CC(=O)Nc1cccc(/C=C/C(=O)C2CCCCC2)c1 865216417 FUILNPKBUPBXHZ-ZHACJKMWSA-N 271.360 3.808 30 20 CHED CCCCCC[C@@H](C)C(=O)Nc1cc(CC#N)ccn1 763915875 VKLFIHIDJFNZJT-CYBMUJFWSA-N 273.380 3.693 30 20 CHED CC#CCCCC(=O)OCc1ccccc1SC 767117006 KUSHTZNMXWNUEO-UHFFFAOYSA-N 262.374 3.645 30 20 CHED CC(C)(CC#N)CSc1nc2cnccc2s1 863360275 NHGNNVSJGIPTCQ-UHFFFAOYSA-N 263.391 3.723 30 20 CHED C[C@H]1CC[C@H](CCC(=O)OCCCCC(C)(C)C#N)O1 768751006 IWSKCFGKZBWGTD-UONOGXRCSA-N 281.396 3.597 30 20 CHED CC(CCC1CCCCC1)=NNCCOCC(F)(F)F 765598782 GULZNLHIOJNYOI-UHFFFAOYSA-N 294.361 3.891 30 20 CHED COC(=O)c1coc(C(=O)/C=C/C=C/c2ccccc2)c1 766503008 RVWFTFNZBSVSNP-NXZHAISVSA-N 282.295 3.519 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1cscn1 767897155 RCZYPBAIAQNMSJ-UHFFFAOYSA-N 287.175 3.681 30 20 CHED CCCCCCC[C@H](C)CNCC1=CCCOC1 769926155 JABLNNIFQMGHGX-HNNXBMFYSA-N 253.430 3.919 30 20 CHED Cn1cc(CSCCCC(C)(C)C#N)c(C(F)F)n1 1116653255 GIRVDDPDAZILQZ-UHFFFAOYSA-N 287.379 3.921 30 20 CHED CSc1ccc(COc2cccc(C#N)c2)cc1 58871582 CDLASKCJZWVUSX-UHFFFAOYSA-N 255.342 3.859 30 20 CHED CC(C)=C(C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767975427 BKYAJSJDOCXIBO-UHFFFAOYSA-N 280.371 3.530 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C 767666844 WFIHUOIORMBYGD-ZDUSSCGKSA-N 289.331 3.701 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)CC#Cc1ccccc1 1116270229 JOOXYLDQTJDDCN-AEFFLSMTSA-N 283.415 3.761 30 20 CHED Fc1ccc2nc(C=NNC3CCCCC3)sc2c1 761831253 ONUHZLDVDUQHBF-UHFFFAOYSA-N 277.368 3.692 30 20 CHED N#Cc1ccc(OCCCOc2ccc3[nH]ccc3c2)cc1 768160676 DJKMZOMVTVFEQT-UHFFFAOYSA-N 292.338 3.887 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2sccc2C)cc1 765334398 MZRGSFYPZHNAGC-CQSZACIVSA-N 285.412 3.919 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)Cn1ccnc1 59487445 WHTYSHKBKKSONJ-GJZGRUSLSA-N 251.418 3.610 30 20 CHED O=C(/C=C/c1cc(F)cc(Cl)c1)c1ccc(O)cc1O 776720853 UOQDJYIFPKUYGO-DAFODLJHSA-N 292.693 3.786 30 20 CHED CCCCCN(C(=O)Cc1ccccc1CC#N)C(C)C 776808143 ZXHVPWMZBVPCDZ-UHFFFAOYSA-N 286.419 3.722 30 20 CHED CCOc1cccc(C=Nc2cc(F)cc(OC)c2)c1O 1116264283 CKGCQLUQYFGKMM-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CC(C)(C#N)CCOC(=O)CC1CCCCCC1 776393269 FDXUIRYBQUAQQM-UHFFFAOYSA-N 251.370 3.830 30 20 CHED COc1cccc(O)c1/C=N\CCc1cc2ccccc2[nH]1 771096490 FULRLYQIYDBXJJ-UNOMPAQXSA-N 294.354 3.544 30 20 CHED C=CCc1cc(CN[C@H](CC)C2CC2)cc(OC)c1OC 772947437 SMODWMKUJGMCJW-MRXNPFEDSA-N 289.419 3.711 30 20 CHED Oc1ccc(C=NOC2CCCCC2)cc1Cl 777458802 JDEQPGPZNIBMIE-UHFFFAOYSA-N 253.729 3.729 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 771939280 PJMDMSKNFZKGSF-HNAYVOBHSA-N 292.382 3.924 30 20 CHED C=CCCCC[C@H](C)NCc1cc(OC)ccc1O 776256578 QSTDOAQIMKREGE-ZDUSSCGKSA-N 263.381 3.625 30 20 CHED COc1ccc(C#N)cc1COc1ccc(C)nc1Cl 777550443 GUDNPYUAKLTOBW-UHFFFAOYSA-N 288.734 3.503 30 20 CHED c1ccc([C@@H]2CCCC2=NOC2CCOCC2)cc1 774450865 MCWWXLIWRIQMNU-HNNXBMFYSA-N 259.349 3.506 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1nc2ccccc2s1 778669857 OPVJUIKZZWLURA-LLVKDONJSA-N 289.404 3.575 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(O)cc1Cl 880657250 RUFPJFDQWQEZEB-UHFFFAOYSA-N 253.729 3.586 30 20 CHED C=CCSc1ccccc1C(=O)OCC[C@H]1CCCO1 777326447 UFCGAHVVMVHADV-CYBMUJFWSA-N 292.400 3.691 30 20 CHED C#CCOc1ccc(C(=O)Nc2ccc(C3CC3)cc2)cc1 771731075 IRWIVPLGSKECCB-UHFFFAOYSA-N 291.350 3.828 30 20 CHED CC1(C)CC(=NOC[C@H]2CCOC2)CC(C)(C)C1 788031810 JFNSIWJXZDSMFF-LBPRGKRZSA-N 253.386 3.632 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc(-c2cccs2)s1 1122640592 HOLZVVMQEZHJCD-VIFPVBQESA-N 277.370 3.793 30 20 CHED C#CCCCCCC(=O)Nc1cc(-c2ccccc2C)[nH]n1 780448278 YUFBOBSRXCNWCY-UHFFFAOYSA-N 295.386 3.907 30 20 CHED Cc1cnc(CNc2ccc(C#N)cc2Cl)s1 221174110 DUZHGCNTBNPJSB-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C1\CC[C@@H](C)C1 787943857 CIKIPIRRSAFDDH-MNWMYKRDSA-N 262.397 3.664 30 20 CHED C#CCCCCNC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 787283357 PCBATOVZXLNPNW-WMZOPIPTSA-N 298.430 3.686 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1ncnc2sccc12 783815942 HVADIGDDGARBFM-ZJUUUORDSA-N 274.393 3.915 30 20 CHED C=C(CC)C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 1123775703 BUFUKMRAUJYDNZ-NWDGAFQWSA-N 261.340 3.626 30 20 CHED C#C[C@H](OC(=O)c1occc1C)c1ccc(Cl)cc1F 788153190 KCOMNLHKFZEHOA-ZDUSSCGKSA-N 292.693 3.912 30 20 CHED CCC(CC)OC(=O)c1cc(-c2cccc(C#N)c2)no1 789117182 NVYSRZNGHWBBII-UHFFFAOYSA-N 284.315 3.559 30 20 CHED CCC(CC)(CC)C(=O)Nc1cc(OC)c(C#N)cc1F 1131704458 DKSVEKVXXCFKIE-UHFFFAOYSA-N 292.354 3.861 30 20 CHED C#CCC1(C(=O)N2CCC[C@H](C)[C@H]2C)CCCCC1 788447594 IQVYXTLJNZZGIG-LSDHHAIUSA-N 261.409 3.607 30 20 CHED CC1(C(=O)Nc2ccc(C#N)cc2)CCCCCC1 510380146 TYLQYQROHXAPPC-UHFFFAOYSA-N 256.349 3.857 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H](Nc2ccccc2)C1 780649082 NRPDAEKIAUVIKE-SFHVURJKSA-N 298.430 3.673 30 20 CHED CCc1cccc(Cl)c1C=NO[C@@H]1CCCCO1 788721909 KKFOBEVLIDJNOL-CQSZACIVSA-N 267.756 3.780 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc(-c3ccon3)c2)C1 897387802 JVVJROVTBYYXHQ-TZMCWYRMSA-N 267.332 3.836 30 20 CHED C=C1CC(c2noc(-c3cccc([C@@H]4CCOC4)c3)n2)C1 896884300 OTESTRJJSOEHHU-CQSZACIVSA-N 282.343 3.674 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1cnnc2ccccc12 783845708 IGXZYDXIJFBOEQ-STQMWFEESA-N 268.364 3.854 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(C)c2)c1 103028596 AFXLGMYAOHPFSQ-UHFFFAOYSA-N 263.340 3.643 30 20 CHED CC(C)C[C@H](C)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C 799174407 NYAQBDNKFWCXQT-IYVNWDGISA-N 297.464 3.701 30 20 CHED CCc1ccccc1C(=O)Nc1cc(OC)c(C#N)cc1F 1131704844 NHMJWTCGYDVVPK-UHFFFAOYSA-N 298.317 3.521 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1Cl)C(C)C 798555632 MEWQDZNQWYKUNU-IUODEOHRSA-N 292.810 3.700 30 20 CHED Oc1ccc2c(c1)C(=NNc1cc(Cl)ccn1)CCC2 794527440 ZQGDMGGMDODACL-UHFFFAOYSA-N 287.750 3.593 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(C(C)(C)CC)cc1 790604462 RVZTXSVWLQYSAV-UHFFFAOYSA-N 272.392 3.861 30 20 CHED N#Cc1cccc(NCc2cccc(C(F)(F)F)c2)n1 80116911 OBMSHNBSSLVBBB-UHFFFAOYSA-N 277.249 3.584 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1ccc(C(F)F)cc1)C2=O 794962767 WSXAWHDWELYRRH-WQLSENKSSA-N 288.297 3.570 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 791205404 VFDORPLKKMJARX-ATZDWAIDSA-N 291.394 3.861 30 20 CHED CC(=NNc1nc(-c2ccccc2)cs1)c1cnoc1C 799473559 IHPDBDNGFJZCLV-UHFFFAOYSA-N 298.371 3.943 30 20 CHED N#CCC1(CNc2ccc(Br)cc2)CC1 83853620 JIDFDOFXRJGTAW-UHFFFAOYSA-N 265.154 3.555 30 20 CHED CN(C)c1c(Cl)cccc1NCc1cc(C#N)cs1 93686904 AITACSJQYXFQIM-UHFFFAOYSA-N 291.807 3.951 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc3c2ccn3C)c1 1161671199 QTNQDUPIUPOADZ-UHFFFAOYSA-N 289.338 3.611 30 20 CHED CN(C[C@H]1CC1(C)C)c1ccc(C#N)c(Br)c1 1655710711 BVUZERNDDPIIEU-LLVKDONJSA-N 293.208 3.803 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(C)[nH]c2ccc(OC)cc12 1321325546 MOKKYRLKWMHCHX-LBPRGKRZSA-N 286.375 3.569 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cccc2ccccc12 1325619353 CVXAZDODSDZOEO-ZFWWWQNUSA-N 255.361 3.691 30 20 CHED CC[C@H](C)c1nnc(C[C@@H](CC#N)c2ccccc2)o1 1329096321 UQGQEDGMGJOSGI-GXTWGEPZSA-N 269.348 3.823 30 20 CHED C=C(CNC(=O)C(C)(C)Oc1ccccc1)c1ccccc1 1327055230 ZUEROCOBVOSOLF-UHFFFAOYSA-N 295.382 3.674 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1cccnc1Cl 1320670506 WJCMHPZAIGSYTP-NSHDSACASA-N 287.750 3.810 30 20 CHED C=CCC1(C(=O)NCCCc2ccsc2)CCC1 1337815675 KOTNOGTYWPFRBZ-UHFFFAOYSA-N 263.406 3.543 30 20 CHED Cc1nc(S[C@@H]2CCc3ccccc3C2)ccc1C#N 1186999387 LSGJYAHTLAVQEZ-MRXNPFEDSA-N 280.396 3.911 30 20 CHED CC(C)C[C@H](C)C=NNc1cncc(Br)c1 1256541652 FSCKLAZYYMHUNU-JTQLQIEISA-N 284.201 3.924 30 20 CHED CS[C@H]1CC[C@@H](N(C)CC#Cc2cccc(Cl)c2)C1 1253399208 UJBYMXBHLJMDHS-CVEARBPZSA-N 293.863 3.907 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 1335554855 AYWHYRALAVZPGK-INIZCTEOSA-N 273.376 3.715 30 20 CHED C#CCN(C(=O)Nc1cccc(CC(F)(F)F)c1)C(C)C 1334173440 QQWPYWLNTAXGJP-UHFFFAOYSA-N 298.308 3.667 30 20 CHED Cc1ncc(CSCCCCC(C)(C)C#N)cn1 1345377408 LYMAGRNNVZFKNN-UHFFFAOYSA-N 263.410 3.738 30 20 CHED C[C@@H](CC(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1 1347949449 WPUKNPKCBUIFKB-BBRMVZONSA-N 283.327 3.971 30 20 CHED Cc1nc(COc2nc(C(C)(C)C)ccc2C#N)cs1 1349778222 SNCAKOCQAXVHBL-UHFFFAOYSA-N 287.388 3.595 30 20 CHED Cc1ccnc(CSCc2ccc(CC#N)cc2)c1 1348859610 FMVJYCKVEBQZCO-UHFFFAOYSA-N 268.385 3.890 30 20 CHED Cc1ccc(C(=O)O[C@H](C#N)C(C)(C)C)c2ncccc12 1343255848 NPLJKRIWDFLEOQ-CQSZACIVSA-N 282.343 3.638 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CCc3cc(F)ccc32)ccc1F 1264923388 BUKJVKZODNUTRO-OAHLLOKOSA-N 298.292 3.505 30 20 CHED CCCN(Cc1ccccc1)c1cccc(CC#N)n1 1261653926 BCVGWRXKWONIKB-UHFFFAOYSA-N 265.360 3.564 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 1349908406 ZNAXGPVRJSEOJI-IJLUTSLNSA-N 290.329 3.506 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CCCF)c1cccs1 1345145953 BFXFRIVOOBVHBO-ZWNOBZJWSA-N 269.341 3.632 30 20 CHED CC(C)CC1(CNC(=O)c2cc(C#N)ccc2F)CCC1 1435554139 OZDZJPAWNFFSHS-UHFFFAOYSA-N 288.366 3.644 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1csc(C#N)c1 1436532661 CJMJHNKCZPEJQI-NEPJUHHUSA-N 276.405 3.566 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CSCc1cccs1 1515515947 ZVZKDJAVNLEGIW-LLVKDONJSA-N 297.445 3.853 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(C#N)cc1 1522034220 XDAAZIOWZCCHGR-CQSZACIVSA-N 278.355 3.684 30 20 CHED C[C@@H](CC(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1535146121 QVFUXGGOMCSDFO-LBPRGKRZSA-N 282.318 3.830 30 20 CHED C=CC[C@@H](SCc1ccc(C(F)(F)F)cc1)C(=O)O 1602848702 FNFOPYWMFFGKHG-LLVKDONJSA-N 290.306 3.968 30 20 CHED CC[C@@H](C(=O)Nc1ccc(OC)c(C#N)c1)c1ccccc1 1535536481 HOUVJQKHCQUBAZ-MRXNPFEDSA-N 294.354 3.699 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)c(F)c1F 1531985153 PZXFNSIFKCPAMK-UHFFFAOYSA-N 290.244 3.536 30 20 CHED N#Cc1ccc(CNc2cc(F)ccc2F)c(F)c1 20045060 PDYIOGSEDOTABH-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CCCCCCCCCc1nc(C2CCNCC2)no1 115861771 KIGMLVOSPWXLAO-UHFFFAOYSA-N 279.428 3.830 30 20 CHED C[C@@H](CNc1nc(C#N)c(Cl)s1)Oc1ccccc1 1611994084 QKMKJCDKIQGMRN-VIFPVBQESA-N 293.779 3.548 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(F)cc1C#N 1623180088 GPYOFOHSVHOQHD-NWDGAFQWSA-N 289.354 3.645 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CCC[C@@H](C)[C@H]2C)n1 1639855649 RKHZZEVLSBLAGY-KYOSRNDESA-N 257.381 3.746 30 20 CHED CSc1ccc(O)c(C(=O)Nc2cc(C#N)ccc2C)c1 1566199332 IHARHKGTMQVVHX-UHFFFAOYSA-N 298.367 3.547 30 20 CHED C=CCCCCN[C@H]1CCC[C@@H](CCCC(=O)O)C1 1573366343 LESZLVHXVVKGAI-GJZGRUSLSA-N 267.413 3.746 30 20 CHED CCCN(Cc1ccccc1F)c1ncc(C#N)cc1F 1652047003 YEJAKGNURRUJAB-UHFFFAOYSA-N 287.313 3.648 30 20 CHED C#Cc1ccc(CNc2ccc(C(C)(C)C(=O)O)cc2)cc1 1588517353 QYOCPQKNLJJMJG-UHFFFAOYSA-N 293.366 3.642 30 20 CHED CC(=NOCc1occc1C(=O)O)c1cc2ccccc2o1 1589021864 XPNPPQSRWUVYBK-UHFFFAOYSA-N 299.282 3.665 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CCc3ccc(C(C)C)cc32)n1 1655399136 QMMBHMMMSBKXSE-QGZVFWFLSA-N 292.386 3.880 30 20 CHED COc1ccc([C@@H](C)COc2ccc(C#N)c(OC)c2)cc1 1651953873 UEBUAHLMSSQOEF-ZDUSSCGKSA-N 297.354 3.758 30 20 CHED CC1CCC(N(C)C(=O)Nc2cc(F)cc(C#N)c2)CC1 1664072339 UFFCFURSEWHSAJ-UHFFFAOYSA-N 289.354 3.740 30 20 CHED C[C@@H](NC(=O)c1ccsc1Cl)c1cccc(C#N)c1 1597763904 CFURPDHLYHBJFE-SECBINFHSA-N 290.775 3.764 30 20 CHED CSc1cccc(N(C)C(=O)Nc2cccc(C#N)c2)c1 1673021997 JOUMGXWFOZYVLA-UHFFFAOYSA-N 297.383 3.948 30 20 CHED CC(=NOC1CCCCC1)c1ccc(C(=O)O)cc1C 1776056328 BRCZNURUOJHOPP-UHFFFAOYSA-N 275.348 3.767 30 20 CHED Cc1cc(Cl)ccc1NN=Cc1cccc(C(=O)O)c1 1776104393 FGZDEWYRWXODED-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CCCC(=NNc1cccc(C(=O)O)c1)c1cc(C)ccn1 1776037631 RLRLQMNZBGWHCY-UHFFFAOYSA-N 297.358 3.705 30 20 CHED C[C@H]1CC(=NNc2ccc(C(=O)O)c(F)c2)C[C@H](C)C1 1776074521 FRFHZKVMUXPCKN-NXEZZACHSA-N 278.327 3.748 30 20 CHED CC(CCC1CCCCC1)=NNc1ccc(C(=O)O)nc1 1776069570 RDIXSYHWKNXBSV-UHFFFAOYSA-N 289.379 3.928 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCc2ccccc2C1 150726637 UTQYGURGHVPHHU-HNNXBMFYSA-N 283.415 3.676 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CCC(=O)C[C@@H]1C)c1ccccc1 161778320 PGVDOIOTNWSFKT-QGTPRVQTSA-N 299.414 3.815 30 20 CHED CCCCCNC(=O)N[C@@H](CCC#N)c1ccccc1 158964672 WOZUHNDKVSJFPN-HNNXBMFYSA-N 273.380 3.521 30 20 CHED C=C(C)[C@H](NC(=O)[C@H]1CCCS1)c1ccc(F)c(F)c1 274594465 BRNMJOYCDOBWRG-KGLIPLIRSA-N 297.370 3.594 30 20 CHED Cc1ccc(F)c(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 153679630 XLLCHQJZFNZWQP-KRWDZBQOSA-N 296.345 3.909 30 20 CHED Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C#N)[nH]2)o1 153794901 KYOHRGZSWFUPHK-HNNXBMFYSA-N 297.358 3.545 30 20 CHED C=C(C)CN(CC)[C@H](C)c1nc(-c2ccccc2)no1 155131070 IQTXBCGHWVTTBS-CYBMUJFWSA-N 271.364 3.696 30 20 CHED C=CC1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)CC1 153907805 ADLAQMJKVJVDCQ-KRWDZBQOSA-N 269.388 3.605 30 20 CHED CCCCCCCC(=O)N1CCCN1C(=O)OC(C)(C)C 157579491 HBJWGMUOIKUDNK-UHFFFAOYSA-N 298.427 3.731 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1oc2ccccc2c1C 153961721 DPAOVZNWGWGQSG-LBPRGKRZSA-N 272.348 3.630 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(Cl)ccc1C 155237212 ZNBGTTYKZAMYQR-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C[C@@H]1CCCN(c2ccccc2OC[C@H](C#N)CCC#N)C1 154236246 JERINTPSKUHGPI-CVEARBPZSA-N 297.402 3.745 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 154268954 TWWYSLVGRNQWAG-JCURWCKSSA-N 265.356 3.634 30 20 CHED Cc1ccc(F)cc1C(=O)N[C@@H](CCC#N)c1ccccc1 156931382 GDPCZUAEXUXJEG-KRWDZBQOSA-N 296.345 3.909 30 20 CHED C#CCCCCNC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 154858183 UOHOHEGAHCZIQM-AWEZNQCLSA-N 290.382 3.722 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1coc2ccccc12 159049813 MJWPDFHXOUTUAP-BQYQJAHWSA-N 267.284 3.934 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cccc(C(C)C)c1 824234957 YKAXPCFVDRBRRU-UHFFFAOYSA-N 272.392 3.822 30 20 CHED C#Cc1ccc(CNC[C@@H](CC)CC(F)(F)F)cc1 840960408 LALSIADGBSMIDI-ZDUSSCGKSA-N 269.310 3.736 30 20 CHED C=CC[C@H]1CCCN(Cc2cccc(Cl)n2)C1 852408768 AJFOZTBZYYLPIM-LBPRGKRZSA-N 250.773 3.523 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1ccc(C#N)s1 135672596 PFYOBJVKFGPFRH-LBPRGKRZSA-N 286.400 3.788 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CNc1ccc(OCC#N)cc1 1325775919 KQTYKPFSTVKWOU-PBHICJAKSA-N 270.376 3.993 30 20 CHED N#Cc1cnc(N2CCC3(CCCC3)CC2)c(Cl)c1 78022280 MMJGCBIFDXQLHO-UHFFFAOYSA-N 275.783 3.767 30 20 CHED C[C@H](CCNc1ccc(C#N)nc1)c1ccccc1 149395688 REJLYQDVFLVFNN-CYBMUJFWSA-N 251.333 3.559 30 20 CHED N#Cc1ccc(CNc2cnc3ccccc3c2)s1 169057450 KLFSFQUYZXPYBJ-UHFFFAOYSA-N 265.341 3.780 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2ccc(C#N)cc2C)c1 38080700 HJHWSFONDDQLNM-UHFFFAOYSA-N 268.272 3.876 30 20 CHED CCSCC[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 164591953 FUNCTUMGWJVUBN-UONOGXRCSA-N 292.448 3.771 30 20 CHED CCC1(CC)CCN(C(=O)c2ccc(C#N)cc2)CC1 62959319 IKQDLCBXYVYXCB-UHFFFAOYSA-N 270.376 3.601 30 20 CHED CC(C)(C)c1nc(CN2CCC(CCC#N)CC2)cs1 566172519 DIYPXCNHXPBZDL-UHFFFAOYSA-N 291.464 3.956 30 20 CHED Cc1ccsc1[C@H](C)NCCc1cccc(C#N)c1 467437404 HSSOLTXSRICIRV-ZDUSSCGKSA-N 270.401 3.822 30 20 CHED CCC1(CC)CCN(c2ncc(C#N)cc2Cl)C1 446846020 UMMSTXCGELSDJT-UHFFFAOYSA-N 263.772 3.623 30 20 CHED CCC1(CC)CCN(c2ccc(C#N)c(C)n2)CC1 381801688 DZAQDOWJUKMPHU-UHFFFAOYSA-N 257.381 3.668 30 20 CHED C=CCOCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 388350115 AIUBTDLMKHSXOB-NSHDSACASA-N 273.298 3.559 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Cc1ccccc1Cl 804836146 XNSWHJDDSLZHSD-UHFFFAOYSA-N 297.785 3.545 30 20 CHED COc1ccc(NC(=S)NN=C2CCCCCC2)cc1 7014251 DDDWUJWYRDNPRE-UHFFFAOYSA-N 291.420 3.692 30 20 CHED O=C(/C=C/c1cccnc1)c1ccc(Br)s1 7586877 BTNBSEOTFUKVBW-ONEGZZNKSA-N 294.173 3.802 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCc1sccc1C 58451564 GJTOOGMWMQLOIE-UHFFFAOYSA-N 285.372 3.558 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC=CCC1 104544216 BTKWVTTYMDOBSH-OAHLLOKOSA-N 262.397 3.521 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 178105606 SPWXOZVLMLBHBX-QGZVFWFLSA-N 284.403 3.528 30 20 CHED N#Cc1ccc(OCc2csc(Cl)n2)cc1Cl 310206555 UDDPZMDLWSXJTC-UHFFFAOYSA-N 285.155 3.901 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(F)c(C#N)c2)C1 176088518 ICEBOARTLOTXEK-RYUDHWBXSA-N 289.354 3.740 30 20 CHED COc1cc(COc2ccc(C#N)cc2)ccc1SC 68043155 GZIYSGVJWIYRRN-UHFFFAOYSA-N 285.368 3.868 30 20 CHED N#Cc1c(NC(=O)c2ccsc2)sc2c1CCCC2 28821913 ZTTGYKSKKUNFSG-UHFFFAOYSA-N 288.397 3.812 30 20 CHED C=C(C)CN(CC)C(=S)NCCSc1ccccc1 61243024 KCNYZXCACJADMU-UHFFFAOYSA-N 294.489 3.551 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2cccc(F)c2)c1C 60378404 RREQWVGERCPBRE-CMDGGOBGSA-N 272.323 3.555 30 20 CHED CC(C)[C@@H](C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 171977065 PKNWZHYLZHRZNT-SKDRFNHKSA-N 299.201 3.966 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1c1ccc(C)cc1 66311970 DZMRMYPOWUOIAJ-RDJZCZTQSA-N 287.403 3.640 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(Br)cc1 42224779 ZLFDHFFLIIGFOC-VIFPVBQESA-N 274.589 3.852 30 20 CHED C=CCCCC(=O)Nc1cccc(OC(F)F)c1 175332699 XPDIPXDTSATYFA-UHFFFAOYSA-N 255.264 3.583 30 20 CHED CC[C@@H](CNc1ccc(C#N)nc1)Oc1ccccc1C 301510920 ARLAULOPPJEZEH-INIZCTEOSA-N 281.359 3.531 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)OCCCC#N 179295330 OEEDVBMBZVTUNC-ZHACJKMWSA-N 263.724 3.590 30 20 CHED CC(=O)c1cccc(N[C@H](C#N)C2CCCCC2)c1 115605957 LYVHQSKQFSQMHQ-MRXNPFEDSA-N 256.349 3.774 30 20 CHED CC[C@H](CNc1ncccc1C#N)Oc1cccc(C)c1 301572423 RPZOFFZUXLZUIQ-OAHLLOKOSA-N 281.359 3.531 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)c1nc(C(C)(C)C)cs1 301548099 XJZQLTJONZXRKS-SNVBAGLBSA-N 286.404 3.880 30 20 CHED CCOc1ccc(/C=N/OCc2nc(C)c(C)s2)cc1 176110703 PRACBNZZTVMDJB-CXUHLZMHSA-N 290.388 3.709 30 20 CHED Cc1cc(F)cc2c(N(C)CC(C)C)c(C#N)cnc12 301381913 UVOIWPXWCHKHNN-UHFFFAOYSA-N 271.339 3.646 30 20 CHED CN(C[C@H]1CC=CCC1)c1ccc(C(F)(F)F)c(C#N)n1 409720104 MKXUGQOUKKLEBA-NSHDSACASA-N 295.308 3.765 30 20 CHED N#Cc1cc(NC(=O)c2cccc(C(F)F)c2)ccc1F 171560950 ZXXNZHAUKMISEA-UHFFFAOYSA-N 290.244 3.887 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(OCCC)cc2)CC1 125516448 APUIJBHIWAFDJA-UHFFFAOYSA-N 288.391 3.905 30 20 CHED C=C(C)CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 123078921 XDKFKQKJIBLWPZ-SNVBAGLBSA-N 269.797 3.513 30 20 CHED COc1cc(C)ccc1[C@@H](C)NCc1ccc(C#N)cc1 37748472 GNHRROYPSGHEAB-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC)c(OC)c1 182765172 OFZYINFFAOBNCL-GFCCVEGCSA-N 292.379 3.570 30 20 CHED N#C[C@H]1CCC[C@@H](NC[C@H]2CCCO[C@@H]2c2ccccc2)C1 185796113 UMDQWCDDANMXKH-JCHJZTRSSA-N 298.430 3.826 30 20 CHED CCCc1nnc(S[C@H](C)c2cccc(C#N)c2)o1 189857348 RAUMWZJKMVDJCK-SNVBAGLBSA-N 273.361 3.747 30 20 CHED N#Cc1csc(CN2CCC[C@@H]2c2ccccc2)c1 123674284 GGNXRODRTLFXSC-MRXNPFEDSA-N 268.385 3.957 30 20 CHED CCC(=CC(=O)Nc1cc(C#N)ccc1OC(F)F)CC 128321206 MZNMCSQMATVSSF-UHFFFAOYSA-N 294.301 3.845 30 20 CHED N#Cc1ccccc1NCc1ccc(N2CCCC2)cc1 35255708 LSEGZSLXFGTHHB-UHFFFAOYSA-N 277.371 3.771 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)Cc1ccsc1 216314081 BWAWAYGXCZUKSV-UHFFFAOYSA-N 288.368 3.633 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 75308836 HHXYHBXLOJEBLY-ZIAGYGMSSA-N 287.407 3.524 30 20 CHED Cc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1O 182655762 DBLIJXFWGCUTPA-KRWDZBQOSA-N 280.371 3.835 30 20 CHED C=C(C)COc1cc(CN(C)[C@@H](C)C2CC2)ccc1OC 507434521 RXFUEZYYBIUJQB-AWEZNQCLSA-N 289.419 3.880 30 20 CHED Cc1c(C(=O)/C=C/c2cccs2)cnn1C(C)(C)C 188873466 UOAJAJWUZFNRQQ-BQYQJAHWSA-N 274.389 3.904 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C1=CCCCC1 126777767 MMZDEHNLQOKEFX-UHFFFAOYSA-N 284.359 3.784 30 20 CHED N#CCc1ccc(NC(=O)NCCCC2CCCC2)cc1 76084072 VGBBDRMXUMCYOE-UHFFFAOYSA-N 285.391 3.845 30 20 CHED C=C(C)CN[C@H](C)c1ccc(OCC2CC2)c(F)c1 181593012 OJMYWAKIZTVANF-GFCCVEGCSA-N 263.356 3.841 30 20 CHED CC#CCCCC(=O)N(Cc1ccccc1F)C1CC1 184979178 VZPBPAYHUMUGIO-UHFFFAOYSA-N 273.351 3.510 30 20 CHED CC#CCN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 505874538 KPQVUCYRUXASEK-NSHDSACASA-N 295.226 3.922 30 20 CHED C=C(C)CS[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O 419411396 BKUFKGXSDHTNOG-SWLSCSKDSA-N 293.407 3.797 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(Br)cc(F)c1O 134928614 KSOHUUJFHYBNDU-YUMQZZPRSA-N 288.160 3.519 30 20 CHED COc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c2cccnc12 185889136 YOIMFKBGAZEWGH-OLZOCXBDSA-N 281.359 3.738 30 20 CHED CCCN(CC#N)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 130815427 OSRAIPTUKYLBIS-UHFFFAOYSA-N 299.330 3.590 30 20 CHED CC(C)(CNC(=O)Nc1cccc(C#N)c1)c1ccccc1 43329500 YXVAMUWCLTVIRJ-UHFFFAOYSA-N 293.370 3.658 30 20 CHED C=CCC(CC=C)C(=O)N1CCSC2(CCC2)CC1 412455744 UOMCYBPRLFPOMW-UHFFFAOYSA-N 279.449 3.643 30 20 CHED Cc1[nH]c2ccc(OCC3(C#N)CCC3)cc2c1C 418975435 HDBBNHXHRKRQDS-UHFFFAOYSA-N 254.333 3.857 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416112648 VZKSJLPPQCPSRD-XVGQJIODSA-N 296.414 3.878 30 20 CHED N#Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 45528501 DQEQKIKSIIELDH-UHFFFAOYSA-N 295.729 3.945 30 20 CHED N#Cc1cccc(OCCCSc2nccs2)c1 40676816 IPSLBRGRILVEMH-UHFFFAOYSA-N 276.386 3.576 30 20 CHED C=C(C)CCNC(=O)c1cn(-c2ccccc2)nc1C(C)C 424864642 LKBCKMKUBVSDCO-UHFFFAOYSA-N 297.402 3.692 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@H](C(C)(C)C)C1 424815337 WEYQTFZYHMBJIY-ZDUSSCGKSA-N 251.414 3.873 30 20 CHED N#Cc1cccc(NC(=O)c2cc3cc(N)ccc3s2)c1 40293818 IXDNLAHRKAXWJL-UHFFFAOYSA-N 293.351 3.607 30 20 CHED C#CCCOC(=O)c1cc2c(s1)-c1ccccc1CC2 48868144 BLAKDZNJAIHQCF-UHFFFAOYSA-N 282.364 3.694 30 20 CHED C=CCCCCCN(C)Cc1nc(C)c(C)s1 176380925 ZTYWJXYQAXMYDI-UHFFFAOYSA-N 252.427 3.938 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1ccn(-c2ccccc2)n1 194584722 QRUIFFXAWNPWGE-ZHACJKMWSA-N 299.333 3.640 30 20 CHED N#C[C@@]1(C(=O)N2CCCc3c(F)cccc32)CC12CCCC2 517883253 MJNIREHXBAPHDP-GOSISDBHSA-N 298.361 3.579 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(C(C)C)cc1 517737807 KQWFEXBUWJXBGS-UHFFFAOYSA-N 274.408 3.918 30 20 CHED COc1ccccc1C[C@H](C)N(C)Cc1cccc(C#N)c1 131926576 CGWCZPUNKVEBEB-HNNXBMFYSA-N 294.398 3.630 30 20 CHED C=CCCCCCN[C@@H](c1nc(C2CC2)no1)C(C)C 193536734 XAVDEOMMAOHNGR-CQSZACIVSA-N 277.412 3.980 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccc(C(C)C)cc1 47380229 NTNFYIZKDPQIIS-YFHOEESVSA-N 268.360 3.748 30 20 CHED CC1(C#N)CCC(N[C@H](CCCN)c2ccccc2)CC1 423499480 BAKUICGGAVWJID-LXPRWKDFSA-N 285.435 3.529 30 20 CHED N#CCCCSCc1nc(-c2ccc(Cl)cc2)no1 190913955 RGSVSTSLMBBUET-UHFFFAOYSA-N 293.779 3.927 30 20 CHED CCN(C(=O)Nc1ccc(C#N)c(F)c1)C1CCCCC1 515716979 XQXLTUAZZKVSMC-UHFFFAOYSA-N 289.354 3.884 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccccc1OC(C)C 190869570 UOGRUZGMIMBVIT-QGZVFWFLSA-N 275.392 3.692 30 20 CHED N#Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C#N)c(F)c1 338295196 OMKSGSZCQGVXEY-UHFFFAOYSA-N 299.286 3.628 30 20 CHED N#Cc1ccc(CNc2ccc3scnc3c2)s1 192257114 ZOZCSKGXSPLSPN-UHFFFAOYSA-N 271.370 3.842 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1cccc(Cl)c1Cl 518476713 OABVKYCIZFXROS-MRVPVSSYSA-N 286.162 3.617 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)Cc1cccc(C)c1 337898510 GNYIJKJMDUGYCI-UHFFFAOYSA-N 296.418 3.676 30 20 CHED C=CCn1c(C(C)C)nnc1N1CC[C@@H](C)C2(CCC2)C1 337894465 CGHYOIQOSXXJRP-CQSZACIVSA-N 288.439 3.604 30 20 CHED N#Cc1cnc(N2CCC[C@H]2c2ccc(F)cc2)c(F)c1 334812489 QKRYXUPDXPHINZ-HNNXBMFYSA-N 285.297 3.573 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)Cc1ccccc1C 337812173 LQLSNIAXIXUDEA-UHFFFAOYSA-N 296.418 3.676 30 20 CHED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2)o1 336499490 UFGNROKHABMZOT-OAHLLOKOSA-N 280.327 3.519 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1cccc2c1CCCC2 336313477 SABMEZOQZIDRNH-UHFFFAOYSA-N 285.391 3.579 30 20 CHED C=CCC(C)(C)c1noc(CCc2nc3ccccc3o2)n1 518803055 GCTXFISLODGZMU-UHFFFAOYSA-N 297.358 3.850 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@H](c3ccccc3)C2)n1 431469837 FQCOHXGLZORUAE-KRWDZBQOSA-N 277.371 3.646 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 335177935 RYXNRGKZZZHATH-CYBMUJFWSA-N 284.403 3.891 30 20 CHED C#CCOc1ccccc1CNc1ccc(OCC)c(F)c1 237027891 DVMTWJIFXPRHJE-UHFFFAOYSA-N 299.345 3.849 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC 438215598 ZFEPSUXWDUJTBD-NWDGAFQWSA-N 289.379 3.513 30 20 CHED CN(CC(C)(C)C#N)c1ccnc2cc(Cl)ccc12 432144716 KFVWAOMQQAYIEA-UHFFFAOYSA-N 273.767 3.874 30 20 CHED C=C(CC)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 342231358 OAZYLWIBRBSGIH-RDJZCZTQSA-N 259.393 3.710 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cc1 245556189 IVTZHNYOHHRNNX-HFTRVMKXSA-N 284.403 3.742 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 341557453 ZZZMJPYXYOPNMA-OAHLLOKOSA-N 288.366 3.738 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cccc(C)n1 347358598 HNYQOMIOMLAILG-UHFFFAOYSA-N 282.387 3.587 30 20 CHED Cc1cccc([C@H]2CCCN2CC2(C#N)CC2)c1C 343319740 JDXCRWMBYQLJTC-MRXNPFEDSA-N 254.377 3.744 30 20 CHED Cc1ccc2cc(C(=O)Nc3cccc(C#N)c3)[nH]c2c1 242498215 BTILSKGYRNGDBB-UHFFFAOYSA-N 275.311 3.600 30 20 CHED C=CCC[C@H](NC(=O)NCC(C)C)c1ccccc1 434983123 SYJVKASQFIGLGO-HNNXBMFYSA-N 260.381 3.649 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccccc1-n1ccnn1 340429239 IQTXADATXHEPCU-CQSZACIVSA-N 284.407 3.520 30 20 CHED C=CCC[C@H](CCC)Nc1ccc(C(N)=O)c(C)c1 437245528 QOCYWVPHYRBLAN-ZDUSSCGKSA-N 260.381 3.641 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccc(C#N)s2)ccc1O 255899923 BMEZDAYFNZPMOS-DAXSKMNVSA-N 299.351 3.620 30 20 CHED Cc1c(NC[C@H](C)CCC#N)cnn1C1CCCC1 602635024 VWPZRPNAAJBBGA-GFCCVEGCSA-N 260.385 3.658 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(C)cc1O 436876530 ZXTRJRAMAYZGRB-UHFFFAOYSA-N 287.384 3.591 30 20 CHED N#CC1(CSCc2coc(-c3ccccc3)n2)CC1 344484489 OLVRUWVWPOLBTL-UHFFFAOYSA-N 270.357 3.879 30 20 CHED C[C@H](C#N)Cn1nc(C(F)(F)F)cc1-c1ccccc1F 601930778 CNUNLOFKWYNATD-SECBINFHSA-N 297.255 3.868 30 20 CHED C=CC[C@@H]1N(CCOC2CCC2)CCCC1(C)C 347122328 MXTXMIPIFZGNRQ-HNNXBMFYSA-N 251.414 3.622 30 20 CHED N#CCOc1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 252454584 HFOVQAHRYYLVKG-IDXRPEPOSA-N 282.387 3.826 30 20 CHED COc1ccc([C@@H](Nc2cccc(F)c2C#N)C2CC2)cn1 528287322 PZBIVSDXHFHINT-KRWDZBQOSA-N 297.333 3.664 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(C#N)s2)c1 255904483 YQEGGWQFDQNCNH-ALCCZGGFSA-N 283.352 3.662 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)Cc2cc(F)ccc21 254943656 IDTDORZYSXHIKZ-ZSOIEALJSA-N 280.298 3.583 30 20 CHED Cc1cccc(CCCNc2ccc(C#N)c(Cl)c2)n1 343228827 YUNJGCMIWMLURP-UHFFFAOYSA-N 285.778 3.960 30 20 CHED CC(C)CCCSCC(=O)Nc1ccc(C#N)cc1 346732207 XUEWFDHLSPWRSD-UHFFFAOYSA-N 276.405 3.666 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc(-c2ccccc2)co1 602326024 QBNLDUBVEKXITO-UHFFFAOYSA-N 283.331 3.610 30 20 CHED O=C(/C=C\c1ccc(Cl)c(F)c1)c1ccco1 255227449 YQBVPWJXABLALD-XQRVVYSFSA-N 250.656 3.968 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1oc2ccccc2c1C 255394160 GUPXTPOXHNMZBI-KTKRTIGZSA-N 294.354 3.933 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)NCC1CCC(c2ccccc2)CC1 448935591 AOGLKJZQLXSRNX-QSUGNCRHSA-N 296.414 3.626 30 20 CHED CCc1ccccc1N[C@H](C)CC1(C#N)CCOCC1 602491615 BRISXKFJEZQQMA-CQSZACIVSA-N 272.392 3.760 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c1 255330623 FZIXUHLUYCVYOS-VURMDHGXSA-N 283.283 3.505 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 448912751 QZSNSWZNISKJEU-IAGOWNOFSA-N 269.388 3.749 30 20 CHED CC1(C)C[C@H](N[C@@H](CCC#N)c2ccccc2)CCO1 601964391 PPYCVUZHVLHXSS-CVEARBPZSA-N 272.392 3.579 30 20 CHED CC1(C)CC[C@H](CSCCOc2cccc(C#N)c2)O1 358661465 MMXRYBIVRHDPIS-OAHLLOKOSA-N 291.416 3.628 30 20 CHED C=CCCCC[C@H](C)N[C@H](CO)c1cccc(F)c1 449145268 WQSDKIGTAXWSDS-XJKSGUPXSA-N 265.372 3.584 30 20 CHED CC[C@@H](CC#N)NCc1c[nH]nc1-c1ccc(Cl)cc1 358276177 IOAORMNRAJEODX-AWEZNQCLSA-N 288.782 3.512 30 20 CHED CN(CCCc1ccccc1)Cc1ccc(OCC#N)cc1 264525589 BQEOXZGJZYGQBG-UHFFFAOYSA-N 294.398 3.654 30 20 CHED C[C@@H](NCCCOc1ccccc1)c1ccc(C#N)c(F)c1 537401594 XEJDTUKPEPUHOY-CQSZACIVSA-N 298.361 3.817 30 20 CHED C=CCCC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 263703701 UWUQFCPMYUCQPZ-WFASDCNBSA-N 273.376 3.860 30 20 CHED C=CCC1(C(=O)NCCc2cn(C)c3ccccc23)CCC1 618542503 GCRQLTYTIKJBDX-UHFFFAOYSA-N 296.414 3.583 30 20 CHED C[C@@H](C#N)CNCc1ccc(Oc2ccc(F)cc2)cc1 610708033 XYKIKLHRQNHYFF-ZDUSSCGKSA-N 284.334 3.867 30 20 CHED CC(C)C[C@@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 355692588 NEYGPZOIHNMCOZ-OAHLLOKOSA-N 286.419 3.836 30 20 CHED CN(CC(C)(C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 269623435 QZAMRYDMDSDPAB-HNNXBMFYSA-N 287.407 3.719 30 20 CHED CCN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@@H](C)C(C)C 618846979 OBFLAZSIAHRXDU-GUYCJALGSA-N 299.418 3.622 30 20 CHED N#Cc1ccc(CN[C@@H](c2cccs2)C2CC2)s1 539415777 SGGHAUGCYSAVPQ-CQSZACIVSA-N 274.414 3.922 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cncc(C(F)(F)F)c2)C1 617778862 PVRUKFUHDDCQDF-NSHDSACASA-N 298.308 3.529 30 20 CHED C=CCC1(C(=O)N(C)C[C@@H]2CCCCO2)CCCCC1 448768660 RDYJWZZWLUAITM-HNNXBMFYSA-N 279.424 3.541 30 20 CHED CC(C)CC[C@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618795390 QPWPUMWRROIUKX-SUMWQHHRSA-N 299.418 3.669 30 20 CHED Cc1cccc2c(N3C[C@@H](C)S[C@H](C)C3)c(C#N)cnc12 610282815 QUFWABCOHUDIFS-CHWSQXEVSA-N 297.427 3.745 30 20 CHED C[C@@H]1C[C@H](CCN[C@@H]2CCCc3cc(C#N)ccc32)CCO1 612421039 WBCOHIFCMVEMFV-SPYBWZPUSA-N 298.430 3.730 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C)C[C@@H]1C)c1ccccc1 534669248 ZXIRMZYSLYYMFT-SOUVJXGZSA-N 257.377 3.603 30 20 CHED CCO[C@H]1C[C@H](NCc2ccc(CC#N)cc2)C12CCCC2 450962662 CFMMWPOTRIBFPO-ROUUACIJSA-N 298.430 3.580 30 20 CHED C=CCC1(NC(=O)CC2CCCCCC2)CCOCC1 618248430 HRLRPEGDOMOTEC-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CCC)C1CCC1 453204601 BZDOVEAUKVKPRT-PMPSAXMXSA-N 251.414 3.526 30 20 CHED N#Cc1c(F)cccc1NCCCc1cccs1 538787924 ACORDHOOJWDDIC-UHFFFAOYSA-N 260.337 3.804 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1ccc(C)cc1 455316888 WHQMYANMPBGXKP-INIZCTEOSA-N 272.392 3.808 30 20 CHED CC(C)(C#N)CCCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 450853144 DTWDBUSAURIAFI-OAGGEKHMSA-N 290.451 3.644 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC(C)(C)c1cccs1 542949518 DTFPOZVHDVHBHD-GFCCVEGCSA-N 280.437 3.680 30 20 CHED CCC[C@H](NC(=O)CC(C)(C)C#N)c1ccccc1 278481656 KCWCYZANYKCJTE-AWEZNQCLSA-N 258.365 3.584 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCc1ccco1 360838952 FLBOQKNWGPDTEK-GOSISDBHSA-N 280.371 3.751 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1OC1CCCC1 278270978 PAGIVWKCLXRWQI-UHFFFAOYSA-N 286.375 3.886 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)c1cccc(F)c1)OCC 270060593 UJHYRVBLQHPSAE-OAHLLOKOSA-N 279.355 3.550 30 20 CHED CC#CCCCC(=O)N1CCCC[C@@H]1c1ccccc1 274322556 KQGTXVFHMWEBTB-QGZVFWFLSA-N 269.388 3.934 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H]1CC[C@@H](SCC)C1 458987949 NJLSUHJGDNWTBC-QWHCGFSZSA-N 284.469 3.514 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1nc(-c2ccccc2)cs1 362402881 NCRQMIWFJBMFBW-ZDUSSCGKSA-N 299.399 3.574 30 20 CHED CC#CCCNC(=O)C(C)(C)CCCc1ccccc1 542673381 KQFRVGIVHYJLCL-UHFFFAOYSA-N 271.404 3.565 30 20 CHED CC(C)(C#N)c1nc(C(C)(C)c2ccccc2Cl)no1 278315808 XDFNXUDIXJAHIE-UHFFFAOYSA-N 289.766 3.850 30 20 CHED CC(C)Oc1ccccc1NCCOc1cccc(C#N)c1 462221569 JQHCWVKDVJGCCE-UHFFFAOYSA-N 296.370 3.836 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 466378948 AQJHPQHSQZFMJW-QWRGUYRKSA-N 292.345 3.714 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(C#N)c1 543486904 FNGQJWAIDLTCAG-UHFFFAOYSA-N 295.729 3.644 30 20 CHED N#CCC[C@@H](N[C@@H]1CCC12CCOCC2)c1ccccc1 377121705 XKPUHPSURSFXNA-IAGOWNOFSA-N 284.403 3.580 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(COCCOC)cc1 624232777 MIXKVLJBWFMYSM-CABCVRRESA-N 277.408 3.862 30 20 CHED CC(C)(C#N)CCCCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 377648566 UZKOKWXREGJNGC-GJZGRUSLSA-N 278.440 3.596 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC)cc1OCCC 466539053 KFKUQCVEJOOFGS-ZDUSSCGKSA-N 291.391 3.569 30 20 CHED N#Cc1ccc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)o1 280420896 ZCRDTORBXGCVPE-HIFRSBDPSA-N 284.334 3.716 30 20 CHED C=CCCCSCCc1nc2ccccc2n1C 554706887 WLQNIFZEDRLZTB-UHFFFAOYSA-N 260.406 3.815 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1occc1C(C)C 284201610 MMNMOBAZFXSCEV-UHFFFAOYSA-N 287.359 3.867 30 20 CHED CCc1ccccc1-c1noc(-c2ncc(C#N)cc2C)n1 551338246 AGHJZMCLLOBZML-UHFFFAOYSA-N 290.326 3.541 30 20 CHED C=CCN(C)C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 469823688 XZENDMGQKNWAAC-AWEZNQCLSA-N 259.393 3.633 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 462124783 WNRHUCVFBMEMPM-JONQDZQNSA-N 265.441 3.915 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)[C@H](C)c1cccc(C#N)c1 463868697 XJULTCHKOODVGS-RHSMWYFYSA-N 284.403 3.699 30 20 CHED CCCCN(CC)c1nc(C)c(C#N)cc1Cl 380207140 SNWZMSADBQRFCI-UHFFFAOYSA-N 251.761 3.542 30 20 CHED N#Cc1ccc(N2CCC=C(c3ccccc3)C2)cc1 553255955 JPBZRLISGKFKQE-UHFFFAOYSA-N 260.340 3.852 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC(c2cccc(Cl)c2)CC1 474669974 RSCAWRDHIAYOES-GFCCVEGCSA-N 292.810 3.804 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1c1ccccc1C 299273818 PPBQLFPXAMUWSU-RDJZCZTQSA-N 287.403 3.640 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2cc(OC)ccc2c1 806612554 FXSPCPDJQODDAT-LLVKDONJSA-N 270.332 3.544 30 20 CHED CCCC[C@@H](SCCCC(C)(C)C#N)C(=O)OC 475866528 QKKKOWOGOPCHMI-GFCCVEGCSA-N 271.426 3.781 30 20 CHED C[C@@H](C#N)OCCN(C1CC1)[C@H](C)c1ccccc1Cl 801917829 RNDLLFYJXKGYTR-QWHCGFSZSA-N 292.810 3.794 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](c3ccccc3)C2)CC1 475371484 SWCWDEOSCLLFIY-MRXNPFEDSA-N 269.388 3.749 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1occc1C 807990964 GTKTWIAKEVDNOT-UHFFFAOYSA-N 273.292 3.641 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C/C(=C/C)CC)cc1 804140049 UHRRUVABSNKVJF-BJAFGXCTSA-N 285.387 3.780 30 20 CHED C=CCN(C(=O)c1ccc(C)cc1O)c1ccccc1 641896861 HITGECDGYGJXLB-UHFFFAOYSA-N 267.328 3.533 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 472285361 JQJIGNGOTSNFSQ-KUHUBIRLSA-N 298.430 3.626 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@H](C)c1noc(C)n1 297698174 APOWTJIUMFWFBJ-SECBINFHSA-N 297.811 3.842 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1cccc(C)c1C 560953937 DJNBXMLGXSHNBI-UHFFFAOYSA-N 259.393 3.864 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 298869905 JMESKZBZKOUIIK-CHWSQXEVSA-N 290.382 3.957 30 20 CHED CC(CC1CCC1)=NNc1ccc([N+](=O)[O-])cc1C 807990525 GZEYFUMGUCLSAB-UHFFFAOYSA-N 261.325 3.881 30 20 CHED CCCC[C@H](SCCCC(C)(C)C#N)C(=O)OC 475866542 QKKKOWOGOPCHMI-LBPRGKRZSA-N 271.426 3.781 30 20 CHED C=C(C)COc1cc(CN2CC[C@H](C)[C@@H]2C)ccc1OC 560662436 HNUZKFFWWKGLSY-GJZGRUSLSA-N 289.419 3.880 30 20 CHED C=CCC[C@H](C)Nc1cccc(C(=O)N(C)CC)c1 565674473 YDHFXRTZPLVJON-ZDUSSCGKSA-N 260.381 3.545 30 20 CHED Oc1cccc(/C=N\C[C@H](c2ccccc2)C2CC2)c1O 814184048 SNLZQJRLTHPGAU-VXIUPONVSA-N 281.355 3.711 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(C)c1ccccc1C#N 483872371 OMPPYKHQGVMGPC-DZGCQCFKSA-N 270.376 3.737 30 20 CHED N#Cc1ncccc1N1CCC[C@H](c2ccccc2)CC1 566829405 OIZWMKIGHMSDMQ-INIZCTEOSA-N 277.371 3.727 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1nc2ccccc2s1 819952467 GSWCGBHJLCROLC-UHFFFAOYSA-N 275.373 3.942 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NN[C@@H]1CCCC1(C)C 814917861 UGXDLWYKWRNRRU-TZMCWYRMSA-N 261.413 3.861 30 20 CHED CSc1ccc(C=NNc2cc(Cl)ccn2)s1 814898073 JSJFUIWJNAEZGU-UHFFFAOYSA-N 283.809 3.964 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cc(-c2ccccc2)on1 817457118 LYFYLFZZDPVJEX-UHFFFAOYSA-N 298.386 3.603 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)[C@H]1CCCC[C@H]1C 812967086 RXGNMLFEJPQXME-QAPCUYQASA-N 283.415 3.638 30 20 CHED CCC(=NNc1ccnc(F)c1)c1ccc(F)cc1F 814902759 UNDVULLTHIOFAI-UHFFFAOYSA-N 279.265 3.725 30 20 CHED COc1ccccc1CON=C1CCc2cccnc2CC1 817327098 AENNUMODKKNYNU-UHFFFAOYSA-N 296.370 3.542 30 20 CHED Clc1cnc(NN=C2CC[C@@H]2C2CC2)c(Cl)c1 814740278 KKWBOEVODCMQET-SECBINFHSA-N 270.163 3.976 30 20 CHED C=CCCCC(=O)N(Cc1ccc(Cl)cc1)OC 812796647 CZGGTYCVGFDRPW-UHFFFAOYSA-N 267.756 3.586 30 20 CHED CC(C)N(Cc1cccc(F)c1)Cc1ccc(C#N)cn1 579848989 DBDXIOOHJYXNPA-UHFFFAOYSA-N 283.350 3.503 30 20 CHED C=C(C)CCNc1cc(F)c(Cl)cc1N1CCOCC1 576978880 IOMYQSXNWZMWBS-UHFFFAOYSA-N 298.789 3.694 30 20 CHED Cc1cccc2c1CC[C@H]2/N=C\c1ccccc1O 729641141 CZTIEKCUQRDODO-CJMVGXJBSA-N 251.329 3.807 30 20 CHED CCC(C=NNc1ccccc1S(C)(=O)=O)(CC)CC 814846208 JKGDEXSEHSREHN-UHFFFAOYSA-N 296.436 3.704 30 20 CHED C=CCC[C@@H](CC)NCc1cccnc1N1CCCC1 658101480 QVPHQWFHYSCBFR-MRXNPFEDSA-N 273.424 3.516 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CC(c3ccccc3)=NO2)n1 815707604 HWFRERRCDPKUEA-CQSZACIVSA-N 297.358 3.789 30 20 CHED C=CCn1cccc1C(=O)Nc1nc(-c2ccco2)cs1 488474234 AQUHJEQPGSYEFL-UHFFFAOYSA-N 299.355 3.643 30 20 CHED CC[C@](C)(C#N)c1nc(C(C)(C)c2ccccc2OC)no1 571840408 ZOJCKYHFLAOYJE-QGZVFWFLSA-N 299.374 3.595 30 20 CHED Cc1ccc(NN=C2CCCC[C@@H]2c2ccccc2)nn1 729935805 QSWAFAADLOESFC-OAHLLOKOSA-N 280.375 3.911 30 20 CHED Cc1cc([C@@H](C)NC(=O)C#Cc2cccs2)c(C)s1 824839470 ZJYKOJPBLAUQLK-LLVKDONJSA-N 289.425 3.655 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(N2CCCCC2)c1 822726105 MUGXKJAJHZUYPX-UHFFFAOYSA-N 272.392 3.828 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1ccc(O[C@H](C)C#N)cc1 728711985 QPCNFUIMXULTMM-FSZRXZPDSA-N 286.419 3.892 30 20 CHED C=CCN(CC=C)Cc1ccc(OC)cc1Br 579057490 TVOSJEHULJZLGX-UHFFFAOYSA-N 296.208 3.632 30 20 CHED C=CCOC(=O)/C=C\c1ccccc1O[C@@H](C)CC 729870430 DHOVXPLSDCAAHR-OEYXZAGESA-N 260.333 3.606 30 20 CHED N#CCCCCCC(=O)N[C@H]1CCCc2ccc(F)cc21 588165687 CWJIAPORPBJIBL-INIZCTEOSA-N 288.366 3.793 30 20 CHED N#CCC1(COc2ccc(C(=O)c3ccccc3)cc2)CC1 663917253 DTIMFAXECCPZOH-UHFFFAOYSA-N 291.350 3.990 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cccc2c1CCCC2 822808721 IJCMLBHNLACHJT-UHFFFAOYSA-N 284.403 3.577 30 20 CHED C=CCC1(N[C@@H]2CC(C)(C)C[C@H]2C)CCOCC1 668551089 HRRNZOSYPALWQA-ZIAGYGMSSA-N 251.414 3.526 30 20 CHED C=C[C@H](CC)CC(=O)N(OC)[C@H](C)c1csc(C)n1 821222015 NDQXITBPXXFLFA-ZYHUDNBSSA-N 282.409 3.505 30 20 CHED C=CCN1C(=O)/C(=C\c2ccc(CC)s2)SC1=S 731155218 CQGDMCMYOGGWOZ-DHZHZOJOSA-N 295.454 3.698 30 20 CHED C=CCN(C(=O)Nc1ccccc1C(C)C)[C@@H](C)COC 664319560 MFPHVWFRRBBTMX-AWEZNQCLSA-N 290.407 3.865 30 20 CHED C=CCN=c1[nH]nc(S[C@H](CC)c2ccccc2)s1 494075563 QBVUJBASLLYNRL-GFCCVEGCSA-N 291.445 3.801 30 20 CHED CCC(CC)NN=Cc1ccc(CSC(F)F)o1 734366247 JVNQLMCUADMJIL-UHFFFAOYSA-N 276.352 3.848 30 20 CHED C#CCOc1cccc(NC(=O)c2cc3ccccc3o2)c1 730978008 RMZUDAUJVBTPTH-UHFFFAOYSA-N 291.306 3.697 30 20 CHED CC(C)(C)c1cnc(SCc2cc(C#N)ccn2)s1 901508444 CLPVDUHHOBECNG-UHFFFAOYSA-N 289.429 4.000 30 20 CHED C=CCC[C@@H](CC)N[C@H](CCC(=O)O)c1ccccc1 901651836 PWKOHOZWQCEOAJ-HZPDHXFCSA-N 275.392 3.927 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)O[C@H](C)C(C)(C)C#N 835245617 REAGZEUAOBQYPV-UPJWGTAASA-N 251.370 3.684 30 20 CHED C=CCNC(=S)N[C@@H](CC(C)C)c1ccccc1C 732725315 YMUMMIRQLKIUGP-HNNXBMFYSA-N 276.449 3.732 30 20 CHED N#CC1(CCCCOC(=O)c2ccc(Cl)o2)CCC1 908808151 RZQNLQJCAAWZAC-UHFFFAOYSA-N 281.739 3.954 30 20 CHED CC(=NNc1oc(CC(C)C)nc1C#N)C1CCCC1 733076531 SBFARXOCXYLVML-UHFFFAOYSA-N 274.368 3.723 30 20 CHED C=CC(C)(C)CNC(=O)/C=C/c1cnc(C(C)(C)C)s1 836828582 MPHFQWIAFFNLIA-CMDGGOBGSA-N 292.448 3.782 30 20 CHED C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1F 903427132 DZTNZXMNAIFMPH-SGTLLEGYSA-N 295.361 3.894 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1ccccc1OC(F)F 837332398 JSCOMZFKXQMTRG-LLVKDONJSA-N 295.329 3.515 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccccc2C#N)c1 588618442 SEISQRXQVSOMDZ-KTKRTIGZSA-N 277.323 3.601 30 20 CHED Cc1cccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1C 839058345 RTPNDAHUEWAUTP-KBPBESRZSA-N 257.333 3.543 30 20 CHED CC(CCCCCCC(=O)O)=NNc1ncc(F)cc1F 835023246 DARLMMPXTUNOJU-UHFFFAOYSA-N 299.321 3.573 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1c1ccccc1C 736399211 VORGOJFPLLQWLZ-CQSZACIVSA-N 278.783 3.594 30 20 CHED C=CC(C)(C)C(=O)OCc1ccccc1C(C)(C)C#N 837864880 SDKSUPCFSKPPRL-UHFFFAOYSA-N 271.360 3.743 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1cccc(C2CC2)c1 837676391 UIJPYUKAKIVUSG-CYBMUJFWSA-N 269.388 3.791 30 20 CHED CC[C@](C)(NC(=O)c1cccc(CC#N)c1)c1ccccc1 730764246 JGCJPXCLQDQPGO-IBGZPJMESA-N 292.382 3.808 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)CC2(C#N)CCCCC2)C1 597294406 QVOSCVBOSNFGQF-GJZGRUSLSA-N 276.424 3.888 30 20 CHED CCC(=NNc1ccccc1)c1ccc(OC)cc1 916247319 PGPSCAYACDOKNI-UHFFFAOYSA-N 254.333 3.921 30 20 CHED Cc1csc(NC(=O)N[C@H](C)CCC(C)C)c1C#N 590605520 DYWNIPWCPWSLKO-LLVKDONJSA-N 279.409 3.874 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N(CC#N)c1ccc(Cl)cc1 592653230 RJUBHEQDKWJLHL-IUODEOHRSA-N 290.794 3.879 30 20 CHED N#Cc1ccc(N(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)C2CCC2)cc1 598884298 CZRAMCJYIUKPDB-RVKKMQEKSA-N 294.398 3.880 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H]1C[C@@H]1c1sccc1C 839036629 FOGMEFSRZISXLM-AVGNSLFASA-N 262.374 3.505 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 835038295 VHOOAZGCZWRUSW-LYIQGSDWSA-N 276.405 3.700 30 20 CHED C=CCCSCCNC(=O)c1c(F)cccc1SC 597969574 CIPAUHGZTVHTFA-UHFFFAOYSA-N 299.436 3.587 30 20 CHED CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)C1CCCC1 595093638 DQLUQEJYEQYLRD-SJCJKPOMSA-N 290.382 3.553 30 20 CHED CCOC(=O)c1ccc(C=NNc2cc(C)cc(C)c2)o1 748245255 YSUWTRRBDJPBPM-UHFFFAOYSA-N 286.331 3.519 30 20 CHED CCN(Cc1ccccc1C#N)c1ccc(OC)cc1 746109094 JNWYZFYDFCOBGE-UHFFFAOYSA-N 266.344 3.593 30 20 CHED CC#CCOC(=O)c1c(Cl)ccc(Cl)c1Cl 744453291 ZBQOWTFMJJHLBS-UHFFFAOYSA-N 277.534 3.827 30 20 CHED Cc1ccc([C@@H](C)C(=O)[C@@H](C#N)c2nc3ccccc3o2)o1 744039005 GPPYWBSZZZHNTL-VXGBXAGGSA-N 294.310 3.709 30 20 CHED C=CCC(CC=C)C(=O)N1CCCOc2ccccc21 679405436 WPHWJSDRUKEJNZ-UHFFFAOYSA-N 271.360 3.571 30 20 CHED CC(C)(CC#N)C/N=C\c1c(O)ccc2ccccc12 840709645 FEDKBNREYIMVGL-ODLFYWEKSA-N 266.344 3.904 30 20 CHED N#CCC1(CSc2n[nH]c(/C=C\c3ccccc3)n2)CC1 594886164 SFGYNSWSKVLKHV-SREVYHEPSA-N 296.399 3.761 30 20 CHED CC(C)(C)CCCC(=O)OCC(=O)c1ccc(C#N)cc1 748276218 IPDSHYZDSYANOZ-UHFFFAOYSA-N 287.359 3.501 30 20 CHED C=CCC[C@H](NCc1cccc(C2CCCC2)c1)C(=O)O 849230733 KQOWWGGWXOJANA-KRWDZBQOSA-N 287.403 3.853 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)N[C@H](CC)CC#N 597086971 QANIABFDMHAXMO-CABCVRRESA-N 264.800 3.943 30 20 CHED C=C1CCN(C(=O)C2(c3cccc(C)c3)CCC2)CC1 595462390 LJXQLDBYDNHQAN-UHFFFAOYSA-N 269.388 3.595 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCC1CC(F)(F)C1 590780318 JBKYLAKHUHQSLX-INIZCTEOSA-N 290.357 3.961 30 20 CHED FC(F)(F)c1ccnc(NN=C2CCC[C@@H]3C[C@H]23)c1 841640598 NZDMMPQDRBROSU-SCZZXKLOSA-N 269.270 3.688 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 597042743 GRIBZGAAGADLEL-CABCVRRESA-N 292.810 3.888 30 20 CHED CCS[C@@H]1CCC[C@H](Nc2nc(C#N)ccc2C)C1 596152411 XCMPDPRSZDJAIR-GXTWGEPZSA-N 275.421 3.738 30 20 CHED C=CCC[C@@H](OC(=O)c1ccc(C)c(C)n1)C1CC1 842324618 DFLHZBXIZZCYMI-OAHLLOKOSA-N 259.349 3.600 30 20 CHED COc1ccc2c(c1)C(=NNc1cccc(C)c1)CC2 747624772 VRJIXNTXVUAJOC-UHFFFAOYSA-N 266.344 3.766 30 20 CHED CCCCCCCC(=O)OCc1cc(C2CC2)no1 849695218 YIAJDUSDKXZJDT-UHFFFAOYSA-N 265.353 3.956 30 20 CHED COc1ccccc1C(C)=NNc1ncccc1Cl 917549118 IZWLCYXEKUCYMS-UHFFFAOYSA-N 275.739 3.580 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)n1 598858260 ZRMGWGBEYZALQF-ZIAGYGMSSA-N 297.402 3.725 30 20 CHED C#CCCCCCC(=O)OCCc1ccc2ccccc2n1 845654980 BWTGYRJYJANKPE-UHFFFAOYSA-N 295.382 3.904 30 20 CHED CCCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917044180 QZUKSBMXKDNHJR-VIFPVBQESA-N 278.764 3.926 30 20 CHED CCCCCCCCCNC(=O)N(C)C[C@@H](C)C#N 916194222 MUMXAQNSBIMSQW-AWEZNQCLSA-N 267.417 3.538 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1(c2cccs2)CCCCC1 594090507 WIUDFHDJRZXZJZ-ZDUSSCGKSA-N 290.432 3.711 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCCC1(F)F 590779471 HAVGKRLQLDNNIL-HOCLYGCPSA-N 290.357 3.961 30 20 CHED COc1ccccc1C=NOCCCOc1ccccc1 745471531 VWEPDCLGDGJFDB-UHFFFAOYSA-N 285.343 3.515 30 20 CHED Cc1ccc2c(c1)CC[C@H]2/N=C\c1cc([N+](=O)[O-])ccc1O 920177942 MLDVKUPLXHVCLC-LTKMBJGESA-N 296.326 3.715 30 20 CHED CC(C)(C#N)c1nc(-c2cc(Cl)ccc2Cl)no1 924176392 HRKFRRYYPFYUAD-UHFFFAOYSA-N 282.130 3.845 30 20 CHED C#CCCCC/N=C(/Nc1ccccc1)N1CCCCC1 849088464 KJPQTXRNBZWACQ-UHFFFAOYSA-N 283.419 3.744 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@@H]1CCCOC1 847743919 KVLSKONNCDBJOV-FXUDXRNXSA-N 280.408 3.727 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC=C(c2ccc(O)cc2)CC1 929568885 YOIQCWYZYUCKOZ-AWEZNQCLSA-N 285.387 3.610 30 20 CHED C[C@@H]1CC(=NNC2CCOCC2)C[C@H](c2ccccc2)C1 757599811 WSSKZLPAZQIVGM-GOEBONIOSA-N 286.419 3.715 30 20 CHED C#C[C@H](CC)NC(=O)CCCc1csc2ccccc12 754379069 GHBUBPFVFZXROH-CQSZACIVSA-N 285.412 3.752 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)/C(C)=C/C)c1 751120652 SQTWMUFIINNJPW-LNKIKWGQSA-N 279.339 3.760 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 929132784 KAJHIGIWUWIAKL-CYBMUJFWSA-N 279.343 3.607 30 20 CHED Cc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1 921263946 LQEWDQZLRHQEBX-UKTHLTGXSA-N 252.288 3.957 30 20 CHED Cc1ccnc(NN=C2CCCc3ccccc32)c1 755906746 PYWKEYWHDCBVOS-UHFFFAOYSA-N 251.333 3.543 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1cc(F)ccc1O 757468976 WXKWFETXSIGFID-DJWKRKHSSA-N 278.229 3.706 30 20 CHED C=CCc1cc(CN2[C@H]3CCC[C@H]2CC3)c(O)c(OC)c1 754740483 SYVAKITVBPXNGV-HOTGVXAUSA-N 287.403 3.646 30 20 CHED CC(=NNc1cc(F)ccc1C)c1ccc(C)nc1C 853393815 RJKHKRXAJJBXEG-UHFFFAOYSA-N 271.339 3.982 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1ccc(Cl)s1 920401084 UIIMIGGBANKBEK-UHFFFAOYSA-N 297.811 3.808 30 20 CHED Cc1ccccc1CCCOC(=O)Cc1ccc(C#N)cc1 753451782 DLGOOXLOWMZZAQ-UHFFFAOYSA-N 293.366 3.585 30 20 CHED C#CCCCOc1cccnc1NC[C@@H]1CCC(F)(F)C1 853567139 UCZWTZBRZMDGOY-CYBMUJFWSA-N 294.345 3.721 30 20 CHED Fc1cccc(C=NNc2nc(C(F)(F)F)cs2)c1 755899890 GIWCRUHSFBMMFL-UHFFFAOYSA-N 289.257 3.747 30 20 CHED N#C[C@H](OC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21)C1CCCCC1 859855506 RMZZUWPYEMQGNR-XMTFNYHQSA-N 295.382 3.588 30 20 CHED Cc1ccc(C=NO[C@H]2CCCCO2)c(Br)c1 755821196 ZGMPQOBLKWUWQX-ZDUSSCGKSA-N 298.180 3.635 30 20 CHED CCc1ccc(CCC=NOCc2cccnc2)cc1 758129388 PBFJIUOOJJUWDZ-UHFFFAOYSA-N 268.360 3.779 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)c1ccc(CC#N)cc1 758676876 AIGMMEQEIMHHSY-OAHLLOKOSA-N 293.366 3.931 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cc(C)ccc1C)OCC 756489222 ZSDKILPRYDWYOX-AWEZNQCLSA-N 262.349 3.580 30 20 CHED CC(C)c1cccc(/C=C2\CCc3nn(C)cc3C2=O)c1 853007933 HHCSTHLYPCFFPO-XNTDXEJSSA-N 280.371 3.756 30 20 CHED N#CCCCC(=O)NCCCCCCc1ccccc1 862626187 XROIKXPZVVQVFB-UHFFFAOYSA-N 272.392 3.600 30 20 CHED CCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1OCC 765920300 MYRZCHGFCYCYEF-KGLIPLIRSA-N 288.391 3.978 30 20 CHED C[C@H](C#N)Oc1ccccc1NC[C@H]1C[C@H]2CC[C@H]1C2 762556168 LXPZHVBKOQRNMW-CBBWQLFWSA-N 270.376 3.826 30 20 CHED CC1(C#N)CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 865665814 DJGPFYFWGTYNSS-UHFFFAOYSA-N 295.289 3.662 30 20 CHED Cc1cc(OC(=O)C[C@@H]2C=CCCC2)ccc1C#N 765117401 FCCYWCWNAJICKV-CYBMUJFWSA-N 255.317 3.519 30 20 CHED FC(F)(F)c1cccc(NN=Cc2cncs2)c1 767742668 HLAXBKMEBOCAAD-UHFFFAOYSA-N 271.267 3.608 30 20 CHED FC(F)C1CC(=NNc2cccc(C(F)(F)F)n2)C1 766025954 WSQSGPSWQLGNFK-UHFFFAOYSA-N 279.212 3.543 30 20 CHED C[C@@H](C#N)OC(=O)CCCSc1ccc(Cl)cc1 766821975 WHPLLZGXYNCIRE-JTQLQIEISA-N 283.780 3.668 30 20 CHED CC(C)[C@@H](C#N)OC(=O)CCc1ccc(Cl)c(F)c1 860518333 KFQNMDNRPZPDHC-CYBMUJFWSA-N 283.730 3.503 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)Cn1cccn1 59487433 KZGBKECRBMZAAZ-LSDHHAIUSA-N 251.418 3.610 30 20 CHED N#CC1(OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCC1 762097782 HZFCDGYONZUBSI-UHFFFAOYSA-N 294.354 3.650 30 20 CHED CSc1ccc(/C=C/C(=O)O[C@H](C)C(C)(C)C#N)s1 860623504 LZBIRHRBOTVDET-BREXMAIKSA-N 295.429 3.965 30 20 CHED COc1ccc(C/N=C\c2ccccc2O)cc1Cl 764412353 BJOVUGSQESCKRO-YVLHZVERSA-N 275.735 3.673 30 20 CHED C#CCCc1noc(C[C@H](C)Cc2ccc(Cl)cc2)n1 762010690 OUWDDOOZAWKBJV-GFCCVEGCSA-N 288.778 3.710 30 20 CHED Cc1cc(C)c(NC(=O)c2ccc(CC#N)cc2)c(C)c1 58242971 YOCVFYXPRGVIEN-UHFFFAOYSA-N 278.355 3.930 30 20 CHED CCCCC[C@@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 767906340 MSXOIKXICARRNC-MSOLQXFVSA-N 286.419 3.636 30 20 CHED CC#CCOc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 766743602 AMTZSXPKDUMYCB-CYBMUJFWSA-N 289.375 3.674 30 20 CHED CC(C)[C@H](C#N)C=NNc1cccc(C(F)(F)F)c1 1117740882 GSGXKUFWEMILAV-SNVBAGLBSA-N 269.270 3.899 30 20 CHED C[C@@H](Cc1cccc(F)c1)Nc1ccc(CC#N)cc1 133739222 XGEUBFHATRGKQV-ZDUSSCGKSA-N 268.335 3.935 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CCSC1 762054246 CWEFLVPPUXJCLR-KBPBESRZSA-N 271.470 3.852 30 20 CHED CCC(C)(C)CC(=O)Nc1cc(C#N)c(F)cc1F 876345705 HDDYKQLUIPGQMV-UHFFFAOYSA-N 266.291 3.601 30 20 CHED CO[C@@H](c1ccccc1)[C@@H](C)Nc1cccc(OCC#N)c1 877169044 DQAGCUYHCLNEPV-RDTXWAMCSA-N 296.370 3.777 30 20 CHED CC(C)(C)ON=C1CCSc2ccc(F)cc21 1116408676 KDVSJLCTVZWHPA-UHFFFAOYSA-N 253.342 3.841 30 20 CHED COc1ccc(C#N)cc1CSCc1ncccc1C 1116482194 IXABVSDULACORO-UHFFFAOYSA-N 284.384 3.704 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 878315952 YOEBHQCXPFHSDO-AAEUAGOBSA-N 261.365 3.622 30 20 CHED CC(C)(C(=O)OCC1(C#N)CC1)c1ccc2ccccc2c1 775861074 DCDKPKJKXFPICV-UHFFFAOYSA-N 293.366 3.964 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OCC#N)cc1 1117820084 YDJWYECAZIBZAL-CJNGLKHVSA-N 286.375 3.744 30 20 CHED C=CCN(C(=O)N[C@H](C1CCCC1)C(F)(F)F)C(C)C 775775745 UAESWJANRQYEQP-GFCCVEGCSA-N 292.345 3.714 30 20 CHED C[C@@H](CCC#N)CNc1cc(F)c(N2CCCC2)c(F)c1 876823670 FOSNQJIKRRBCFI-LBPRGKRZSA-N 293.361 3.917 30 20 CHED C=C1CCC(C(=O)OCc2ccc(Cl)nc2)CC1 885650182 YKCVVIHUVQSKDD-UHFFFAOYSA-N 265.740 3.525 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1ccc(F)c(C)c1 779931821 SGMQQOCLVQNUHR-CQSZACIVSA-N 275.367 3.895 30 20 CHED C#CCCCCCC(=O)NCC1CCC(C)(C)CC1 779947291 ZVVPKGWOBDXPSV-UHFFFAOYSA-N 263.425 3.903 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNCC1CCOCC1 1116077663 XFHGWKIVGZAVCU-HNNXBMFYSA-N 266.429 3.595 30 20 CHED CC(CCn1cccn1)=NNc1ccc(C)c(Cl)c1 1116492533 CRQJSCIIKQRYFZ-UHFFFAOYSA-N 276.771 3.723 30 20 CHED C#CCCCCCC(=O)NC1(c2ccccc2F)CC1 779955246 VPWGPCUFJZHWNF-UHFFFAOYSA-N 273.351 3.515 30 20 CHED C=CCN(C(=O)/C(C)=C\c1ccccc1Cl)C1CC1 772896281 VOKKCOFYSSDLRD-QXMHVHEDSA-N 275.779 3.920 30 20 CHED C#CCCCCC(=O)NCCCc1ccc(C)cc1C 773203786 WXGGIRJTPXWRTB-UHFFFAOYSA-N 271.404 3.546 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1ccc(F)nc1 777442267 GZMKSQBHEHCREE-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C=C(C)CN(CC)CC(=O)Nc1c(C)cc(C)cc1Cl 72553265 GFDYMJWHXLCGGY-UHFFFAOYSA-N 294.826 3.793 30 20 CHED CCCCC[C@@H](NC(=O)N1CC[C@@](F)(C#N)C1)C(C)(C)C 786122579 UMNAMCKFMMZSDG-CZUORRHYSA-N 297.418 3.629 30 20 CHED C=C=CCNC(=O)Nc1ccccc1S[C@H](C)CC#N 887766220 VPHYZFVFGDVGGQ-GFCCVEGCSA-N 287.388 3.543 30 20 CHED Cc1ccc(CN(C)C(=O)c2ccc(C#N)cc2F)cc1C 1129718818 NOYYKMRCCJNYTC-UHFFFAOYSA-N 296.345 3.586 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1ccccc1O[C@H](C)C#N 780148495 GIOQXWICCLRHQZ-RVROTUBLSA-N 272.348 3.662 30 20 CHED C=C1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 887730040 CFNISAXWTWNXAC-UHFFFAOYSA-N 274.320 3.588 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1ccc(F)cc1C#N 171374070 KNDARYPUVFOCBB-CYBMUJFWSA-N 268.335 3.890 30 20 CHED C=C1CN(C(=O)C[C@@H](C)c2ccc(C(C)C)cc2)C1 898697030 NLNLVRWNFWPCAQ-CQSZACIVSA-N 257.377 3.702 30 20 CHED C[C@H]1C[C@H](Nc2ccc(Cl)cc2C#N)CS1 397832311 DAFLRGUGHPUJNF-KWQFWETISA-N 252.770 3.518 30 20 CHED COc1c(F)cc(N[C@H](C)CC(C)(C)C#N)c(OC)c1F 894734779 BJMNKOGKFNVAFX-SECBINFHSA-N 298.333 3.722 30 20 CHED C#Cc1cccc(N(C)C(=O)CCCc2cccs2)c1 103033716 NUFNAHDMLSEHBN-UHFFFAOYSA-N 283.396 3.715 30 20 CHED CC(CCc1ccc(F)cc1F)=NNC1CCCC1 794901974 MHTFQGRHLSSHJO-UHFFFAOYSA-N 266.335 3.806 30 20 CHED COc1ccc(NC(=O)c2c(C)cc(F)cc2C)cc1C#N 1132551046 ROBLVNZVLHTEMT-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C=C[C@@H]1OCC[C@H]1Nc1ccc(C(C)=O)c(C(F)(F)F)c1 894068362 UXQCRKDPWLZSBG-KGLIPLIRSA-N 299.292 3.663 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H]1COc2cc(Cl)ccc21 797181853 VNIWBEKGVZNCLZ-CYBMUJFWSA-N 280.751 3.919 30 20 CHED CSCCON=CCCCc1ccc(C)c(C)c1 794576527 IJHBXSPORUWSBO-UHFFFAOYSA-N 265.422 3.992 30 20 CHED CCCCCCC[C@@H](C)CNCc1c(C)cnn1C 796274779 AEQVKOOESHQVJA-CQSZACIVSA-N 265.445 3.815 30 20 CHED CCc1oc2ccccc2c1C=NNc1ncccc1F 794989808 DHOIWPGDJGAXTJ-UHFFFAOYSA-N 283.306 3.975 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cc(C)ccc1OC(F)F 795599355 KWEVTWXDHOTOBZ-HNNXBMFYSA-N 297.301 3.580 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccnc(F)c1 794931018 OSKOTENQZZRPRX-UHFFFAOYSA-N 261.275 3.504 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc2ccccc2n1 795007877 PEFABZUFCXZFIG-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C#CCCCCNC(=O)c1sc2ccc(C#N)cc2c1C 794385009 LLTFWYVHRJSJKU-UHFFFAOYSA-N 296.395 3.615 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@H](C2CC2)C1 588855217 ZVEWWNHRXMAMMJ-ZDUSSCGKSA-N 260.768 3.838 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](N)[C@@H](CC)C1 134123361 JOEHLQOEUXGADY-HOTGVXAUSA-N 282.472 3.713 30 20 CHED C=C(CC)CN1CCCC[C@@H]1[C@H](O)c1ccccc1 773451283 JQFCVNIUYZTWAH-IAGOWNOFSA-N 259.393 3.541 30 20 CHED COc1ccc(C#N)cc1NCc1cc(Cl)ccc1O 779591848 WSSJMBXYKPPSHW-UHFFFAOYSA-N 288.734 3.538 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)n1 785855353 RPORNPJIMGZXMQ-JTQLQIEISA-N 285.174 3.569 30 20 CHED CO[C@H]1c2ccccc2C[C@H]1Sc1ccc(C#N)cc1 1307294356 WMNHWTRFGBOKIS-SJORKVTESA-N 281.380 3.963 30 20 CHED C=CCN(C(=O)c1cc2ccc(Cl)cc2[nH]1)C(C)C 1318264908 KZGNFVSOVFUOHL-UHFFFAOYSA-N 276.767 3.858 30 20 CHED CC(C)(CNc1cccc(CC#N)n1)C1CCCC1 1320491695 WEEXLEHJLRKNQO-UHFFFAOYSA-N 257.381 3.776 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1ccnc(C)n1 1326318490 KSFPSBHUYJOBHX-UHFFFAOYSA-N 295.173 3.928 30 20 CHED N#CC1(c2ccc(-c3ccc4c(c3)CCC(=O)N4)cc2)CC1 1243420742 PTGDMEWSLSNTTP-UHFFFAOYSA-N 288.350 3.793 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccnc(Cc2ccccc2)n1 1325933044 CUYATGUMLHIPOI-UHFFFAOYSA-N 295.386 3.608 30 20 CHED CC(C)N(CCCC1CC1)Cc1ccc(C#N)cc1 1652383551 NGMILEWTJYNWAM-UHFFFAOYSA-N 256.393 3.959 30 20 CHED CC(C)Oc1ccccc1/C=C/c1cc(C#N)ccn1 1339547480 FESVLEANQTVHSV-BQYQJAHWSA-N 264.328 3.911 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1C[C@H](C)C[C@H]1CC 1339041191 WECBJCHPLNCFRZ-FRRDWIJNSA-N 294.468 3.513 30 20 CHED Cc1ccccc1OCCC(=O)OCCCC(C)(C)C#N 1339901609 LPWSJDWGUNTTSN-UHFFFAOYSA-N 289.375 3.637 30 20 CHED CC[C@H](C#N)N(CC)C(=O)/C=C\c1ccc(Cl)cc1 1338328967 OMZLUUBUGCLGLF-JKEYDSJLSA-N 276.767 3.504 30 20 CHED C[C@@H](C#N)N(Cn1cc(-c2ccccc2)oc1=S)C1CC1 1330044544 DRTITOYBDGNCLU-LBPRGKRZSA-N 299.399 3.812 30 20 CHED C#Cc1ccc(N[C@H](C)c2cc(OC)c(OC)cc2C)nc1 1337805763 GSWLKIUAPPYAHN-CYBMUJFWSA-N 296.370 3.562 30 20 CHED C#Cc1ccc(N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)nc1 1262690508 CXFUUSHGPYEGKG-IRXDYDNUSA-N 296.345 3.534 30 20 CHED C=C(C)CCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 1346796896 JQWXNAIQKURJNC-CYBMUJFWSA-N 297.383 3.738 30 20 CHED CC(C)c1ccccc1C(=O)O[C@@H]1CC[C@H](C#N)C1 1344687505 RPGOWJDLYYJOIO-QWHCGFSZSA-N 257.333 3.659 30 20 CHED C=C(C)CCC(=O)Nc1nnc(-c2ccsc2)s1 1348519192 GDDUBSHEZCJCJP-UHFFFAOYSA-N 279.390 3.561 30 20 CHED CC[C@H](CC(F)F)CN1CCc2ccc(C#N)cc21 1193011041 FOPSWWGKHNDJOK-LLVKDONJSA-N 264.319 3.602 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(COC)c(F)c1 1349862168 BYIXMGAVSHXUFN-OAHLLOKOSA-N 291.366 3.543 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccnc(-c2ccco2)c1 1345923255 CIAYJUQWLXCGDQ-UHFFFAOYSA-N 298.342 3.828 30 20 CHED C=C(C)CCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 1347092366 CLDWZAUVRYPZKS-AWEZNQCLSA-N 293.432 3.612 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)[C@]1(C#N)CC12CCCC2 1340562056 FJENBLCHRTZVPO-SUMWQHHRSA-N 274.408 3.545 30 20 CHED N#C[C@@H](C(=O)CCC1CC1)c1nc2cccc(Cl)c2[nH]1 1344930402 LXUXTCZQNCDWJM-JTQLQIEISA-N 287.750 3.583 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2-c2nccs2)CC1 1263656000 YXWHPXQURNTDDR-UHFFFAOYSA-N 299.399 3.994 30 20 CHED CS[C@H]1CC[C@@H](N(C)C(=O)CC2(C#N)CCCCC2)C1 1347579772 YMRHJMJMPTZPGY-KGLIPLIRSA-N 294.464 3.593 30 20 CHED N#Cc1cccc(NC(=S)Nc2ccc(F)cc2F)c1 16182470 ZRAGBPLRZOPGOL-UHFFFAOYSA-N 289.310 3.645 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(Cl)nc1Cl 1355121395 NEWRVURMPOGNPS-JTQLQIEISA-N 299.201 3.959 30 20 CHED C=C(C)CCC(=O)N1CCc2c(C)cc(C)cc2C1 1358147153 CANFFPZLFKVLRA-UHFFFAOYSA-N 257.377 3.544 30 20 CHED N#CCCCOc1cccc(NC[C@@H]2CCSC2)c1 224386259 KVIPIKSLOKZBGN-ZDUSSCGKSA-N 276.405 3.534 30 20 CHED C[C@H]1CCC[C@@H](N(C)Cc2cccc(C#N)c2F)C1 223522298 HSWKHTRIRWLLHT-SWLSCSKDSA-N 260.356 3.708 30 20 CHED COc1cc(C#N)ccc1CSc1cccc(F)c1C#N 1459105893 ASTVXNMWONHYQJ-UHFFFAOYSA-N 298.342 3.870 30 20 CHED CC[C@H](OC(=O)c1csc(C#N)c1)c1ccccc1 1458523584 SMKPFYOYEKSOEW-AWEZNQCLSA-N 271.341 3.928 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(F)c2)C[C@H]1C 1527517253 XCTNVJBWRJSRGO-UTUOFQBUSA-N 274.339 3.708 30 20 CHED N#Cc1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1 225781021 DBDKBVVTIPMBBM-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cc(F)cc(C#N)c2)C1 1467160641 STIQVZLZPYNXRO-ABAIWWIYSA-N 289.354 3.740 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C1=CCC(C)(C)CC1 1464960970 ZFIQCVIFXPUDHS-UHFFFAOYSA-N 276.424 3.911 30 20 CHED N#Cc1ccc(SC[C@H]2CCCC[C@@H]2C(=O)O)cc1 1601113598 OBLZHROXYACKBC-OCCSQVGLSA-N 275.373 3.541 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2cccc(Cl)c2)c1 1602549980 KEQCGLPDWNOLNA-PLNGDYQASA-N 276.675 3.527 30 20 CHED Cc1cccc(CN(C2CC2)[C@H](C)C#N)c1Br 1473624935 KQWOIYLVIYJDLE-LLVKDONJSA-N 293.208 3.634 30 20 CHED N#Cc1cc(Cl)ccc1SCCN1CCCCC1 1472997667 MSTHNOLUDICXFZ-UHFFFAOYSA-N 280.824 3.790 30 20 CHED C[C@@H]1C[C@H](OC(=O)c2csc(C#N)c2)CC(C)(C)C1 1623447931 VIWKIKMJSBDORR-PWSUYJOCSA-N 277.389 3.991 30 20 CHED CCc1cc(Sc2ccc(C#N)cc2F)nc(CC)n1 1559110352 YWDLTOFLQDKIEC-UHFFFAOYSA-N 287.363 3.763 30 20 CHED CC[C@H](NC(=O)Nc1cc(C)cc(C#N)c1)[C@H]1CC1(C)C 1562939823 WRRPIRHXMJWEIF-CABCVRRESA-N 285.391 3.813 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1cc(Cl)ccc1C#N 122776604 DRFLWLXSZUFHTN-GXFFZTMASA-N 264.756 3.581 30 20 CHED CC1(C)CCC(CNc2n[nH]c(C3CC3)c2C#N)CC1 1656397216 FLUAZWFVHGUSFL-UHFFFAOYSA-N 272.396 3.787 30 20 CHED Cc1cc(CN2CCc3c(F)cccc32)ccc1C#N 1657667201 OWLGRAIHGKKIBB-UHFFFAOYSA-N 266.319 3.569 30 20 CHED N#Cc1ccc(SCc2cccnc2C(F)(F)F)nc1 1656215807 VRTVVHQCLDHRGV-UHFFFAOYSA-N 295.289 3.659 30 20 CHED Cc1cc(Cl)cc2c1N(Cc1cc(C#N)ccn1)CCC2 1653636534 OXZQNBQXZQSDQW-UHFFFAOYSA-N 297.789 3.868 30 20 CHED N#Cc1cccc(NCCC2CCC(F)(F)CC2)n1 1655940562 PABNXZWRKFNWBY-UHFFFAOYSA-N 265.307 3.581 30 20 CHED C[C@H](CSC(F)(F)F)C(=O)O[C@H]1CCC[C@H](C#N)C1 1583566570 XAHQTLYMMAXIMB-UTLUCORTSA-N 295.326 3.501 30 20 CHED CSc1ccc(Cl)c(NC(=O)c2ccc(C#N)o2)c1 1587205825 HLCDFROVKKGRNS-UHFFFAOYSA-N 292.747 3.779 30 20 CHED C#CCCCCCCN[C@]1(C(=O)O)CCCC(C)(C)C1 1588442499 SOUCNNKKZRCIOD-QGZVFWFLSA-N 279.424 3.583 30 20 CHED CC(C)C1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1674213102 IFSRYVYQTSPACW-UHFFFAOYSA-N 289.354 3.597 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)NCC(C)(C)C#N 1676378958 VMKGROZRZBEKKY-ILXRZTDVSA-N 293.455 3.544 30 20 CHED CC(=NO[C@H](C)c1ccccc1)c1ccccc1C(=O)O 1776082891 AEBVZSINJRGBGR-CYBMUJFWSA-N 283.327 3.887 30 20 CHED CC(C)c1nsc(COc2ccc(C#N)cc2Cl)n1 916384747 IQNGOMMPYQNJFM-UHFFFAOYSA-N 293.779 3.766 30 20 CHED Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(C)c1 15682878 XYSNQZROVLWMPR-AWEZNQCLSA-N 294.354 3.581 30 20 CHED COc1ccc([C@@H](C)Nc2ccc(C#N)cc2)cc1 19951151 DUYWZWOYDIYKFS-GFCCVEGCSA-N 252.317 3.740 30 20 CHED COc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1OC 158995322 MMMDZNLKMXJUPV-RAXLEYEMSA-N 274.360 3.866 30 20 CHED CCC[C@@H](C(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 160450822 CRNORFYPOQHLEU-GOEBONIOSA-N 272.392 3.578 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ccc(OCC#N)cc1)CC2 160764400 MXOLSZHKZSVNPQ-SFHVURJKSA-N 278.355 3.997 30 20 CHED Cc1cnccc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 274583329 CXHLLNMXBHOHAU-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Cc1ccccc1Cl 155167079 BEJXOKUIUMSIMR-NWDGAFQWSA-N 265.784 3.599 30 20 CHED N#Cc1cccc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 157437975 QZYHSNSCRUJTHP-RTBURBONSA-N 292.382 3.568 30 20 CHED CN(CCC#N)Cc1ccc(Oc2ccccc2)c(F)c1 156649663 GKYULFXAKYBQJV-UHFFFAOYSA-N 284.334 3.963 30 20 CHED C=C(C)CN1CCC(CCN2CCCC[C@@H]2C)CC1 159060400 VGFFJLGWPLPFEX-INIZCTEOSA-N 264.457 3.539 30 20 CHED Cc1cc(C)cc(OCCOc2ccc(C#N)cc2)c1 11824591 RCWLPLURTZREJO-UHFFFAOYSA-N 267.328 3.633 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)s1 49160219 IBBDEHNYLLFGRN-ZDUSSCGKSA-N 286.400 3.810 30 20 CHED CCOc1cccc(NCc2ccc(C#N)cc2F)c1 49566028 WPCXVVKRCJZWPE-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 52340968 TVGQKLHSIVRKGH-NSHDSACASA-N 273.336 3.847 30 20 CHED N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@H]2OCC[C@@H]12 301631540 CQQUKYHAZKIKNJ-NWANDNLSSA-N 276.767 3.581 30 20 CHED CCC(CC)n1ccc(CN(CCC#N)CC(C)C)n1 69994526 XYTPBXUXVACMRD-UHFFFAOYSA-N 276.428 3.616 30 20 CHED CSCc1ccc(C(=O)NC2(C#N)CCCCC2)cc1 73171298 XPRDAUUEGGPNRN-UHFFFAOYSA-N 288.416 3.506 30 20 CHED N#Cc1ccc(CSc2cccc([N+](=O)[O-])c2)c(F)c1 313564887 SXSPUTDAOTTYPY-UHFFFAOYSA-N 288.303 3.898 30 20 CHED CSCCCCCNc1cc(C)c([N+](=O)[O-])cc1C#N 413235555 RWOMUHGTFHRLJP-UHFFFAOYSA-N 293.392 3.720 30 20 CHED C=CCC[C@H](CO)N[C@H]1CC[C@@H](C)c2ccccc21 320600554 FDFIPVNEUUYGHB-CPUCHLNUSA-N 259.393 3.542 30 20 CHED CC(C)(C#N)CNCc1csc(Cl)c1Cl 336760669 MKEGDRUZMDPHGJ-UHFFFAOYSA-N 263.193 3.694 30 20 CHED N#Cc1cc(NC(=O)C23CCC(CC2)C3)ccc1Cl 342276565 JZEHNHBQYAXWTO-UHFFFAOYSA-N 274.751 3.730 30 20 CHED CCCc1cc(C(=O)N2CCC[C@H](CC#N)C2)sc1C 597916297 LUOKYODORKKELZ-CYBMUJFWSA-N 290.432 3.775 30 20 CHED Cc1cc(C)c(CN2CCC[C@H](CC#N)C2)c(C)c1 397860115 UZFXJXCDIXRTSN-MRXNPFEDSA-N 256.393 3.738 30 20 CHED COc1ccccc1[C@@H]1CCCN1CC1(C#N)CCC1 450351323 SIHJGYZBZKRBTO-HNNXBMFYSA-N 270.376 3.526 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 108276635 LOYDPLGHYGKNBM-KMKOMSMNSA-N 286.714 3.934 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C)cc(C)c1 106422563 UYCLZGMSINVHDE-UHFFFAOYSA-N 272.392 3.896 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1ccc(F)c(C#N)c1 179597014 XRSRXHTTYJVFJM-HOTGVXAUSA-N 292.423 3.851 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](CC)c1ccncc1 175305864 JLDGICANGNRDHX-INIZCTEOSA-N 289.423 3.921 30 20 CHED COc1ccc([C@H]2CCCCCN2CCCC#N)cc1 52711767 DWKUNUAJVZGOJM-QGZVFWFLSA-N 272.392 3.916 30 20 CHED O=C1C(=Cc2cc(F)c(F)c(F)c2)C(=O)c2ccccc21 171044277 HAPDCCAXFNBITI-UHFFFAOYSA-N 288.224 3.567 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cccc([N+](=O)[O-])c2)n1 10267164 YAASMRRHMSAAGV-UHFFFAOYSA-N 299.355 3.771 30 20 CHED CC[C@@H](CC(C)C)C(=O)N1CCc2c(C#N)cccc21 421655217 GKXPYRCQAPFVRY-ZDUSSCGKSA-N 270.376 3.520 30 20 CHED C=CCCc1ccccc1NCC(=O)Nc1ccc(F)cc1 409845997 CRWULKPEUXKMIJ-UHFFFAOYSA-N 298.361 3.995 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 111708879 NAXSYSAIEGWQPM-UHFFFAOYSA-N 289.766 3.642 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(Cl)cc2cccnc12 175992362 DVNFNEDKASMIKL-LLVKDONJSA-N 273.767 3.622 30 20 CHED Cc1ccccc1C1(C/N=C(\N)N(C)C2CC2)CCCCC1 305804730 FZMSITNSJDZSOK-UHFFFAOYSA-N 299.462 3.606 30 20 CHED O=C1/C(=C/c2ccccc2[N+](=O)[O-])Cc2cc(F)ccc21 114992412 RSCQXXUGIVCZQC-KPKJPENVSA-N 283.258 3.556 30 20 CHED C=CCCCC(=O)Nc1ccccc1OC(F)(F)F 177497982 SYVFBNNOCQZWKZ-UHFFFAOYSA-N 273.254 3.880 30 20 CHED C=CCCCC(=O)Nc1cccc(-c2ncco2)c1 178974332 HSYXZGNERIOUGA-UHFFFAOYSA-N 256.305 3.636 30 20 CHED N#C[C@H](C(=O)c1ccccc1OC1CCC1)c1ccccn1 118599194 VIRONCFZPOCYEA-HNNXBMFYSA-N 292.338 3.503 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(CCCCC#N)C1 174045525 GTDPVOLALSJLDE-XJKSGUPXSA-N 260.356 3.902 30 20 CHED CC[C@]1(C)CN(c2ccc(C#N)cc2C(F)(F)F)CCO1 302695352 WEQCGTHIAOHIEP-CQSZACIVSA-N 298.308 3.582 30 20 CHED C[C@H](N[C@H](C)Cc1ccc(F)cc1)c1ccc(C#N)cc1 62038238 HHMGMFVTGWNKMW-KGLIPLIRSA-N 282.362 3.979 30 20 CHED CC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)C1CCCC1 1272443022 HVGMMGRMQNWBLY-MRXNPFEDSA-N 270.376 3.565 30 20 CHED C=CCCCC(=O)N[C@H](CCC#N)c1ccccc1 178618799 NPNBOYCRJYHVPQ-OAHLLOKOSA-N 256.349 3.504 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1nc(C)c(SCC#N)s1 183165923 XUOFOMHGEYGBGV-DTWKUNHWSA-N 297.449 3.688 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCOC2(CCCCC2)C1 302907641 XRLQHEIJNPTBPE-MRXNPFEDSA-N 295.386 3.724 30 20 CHED C=CCN(Cc1ccc(C(=O)OC)o1)CC1CCCCC1 303440431 HLIDGBIVJFGJKB-UHFFFAOYSA-N 291.391 3.635 30 20 CHED Cc1ccc(N2CCN(CC(C)(C)CCC#N)CC2)cc1C 126913384 QPJYJMRGALRZAP-UHFFFAOYSA-N 299.462 3.755 30 20 CHED Cc1ccccc1[C@@H](C)Nc1c(C#N)cccc1C#N 302475123 UYWIQZXNSFMKHH-CYBMUJFWSA-N 261.328 3.911 30 20 CHED N#CCc1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1 211933444 CWOPSZDYGUGBER-TWGQIWQCSA-N 280.302 3.544 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)n(C(CC)CC)n1 183007292 KKRLLSLRCKEPIT-UHFFFAOYSA-N 277.412 3.591 30 20 CHED Cc1ccc(CCN[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 185800839 KLTWYWSHHMQOGU-NVXWUHKLSA-N 256.393 3.518 30 20 CHED C=C(C)CCc1noc([C@@H]2SCCc3ccccc32)n1 508644817 YRKDBOJKSLEJBM-OAHLLOKOSA-N 286.400 3.957 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1cccc(C)n1 124227767 DGNUVOLKCHZBLP-UHFFFAOYSA-N 287.388 3.672 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](C(=O)O)[C@@H](C)C1 313740403 BVXOOUCOKKTSPK-GJZGRUSLSA-N 297.439 3.696 30 20 CHED C[C@@H](CCCc1cccnc1)Nc1cccc(F)c1C#N 413404896 XNCGUFKYXOQRQI-ZDUSSCGKSA-N 283.350 3.916 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)C[C@@H](C)c1nccs1 183156622 YQQGPIHFQLWYHE-CHWSQXEVSA-N 295.452 3.633 30 20 CHED N#Cc1cc(Cl)ccc1COc1ccccc1[N+](=O)[O-] 185233772 OBIFOOMEIIUXIH-UHFFFAOYSA-N 288.690 3.699 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(F)c2F)cc1O 182723516 OCFSZWCEIZIKTH-FNORWQNLSA-N 290.265 3.575 30 20 CHED C=CCSCCN[C@@H]1CCSc2ccc(F)cc21 180459368 UZBFEFGRGDUHQX-CYBMUJFWSA-N 283.437 3.871 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@H](C)Cc1cccc(F)c1 411111002 ITGIVMKQQRTEHN-CYBMUJFWSA-N 277.383 3.817 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1 509678790 MDOSGQTZWSKIMY-CYBMUJFWSA-N 296.395 3.702 30 20 CHED CC#CCCCC(=O)Nc1c(CC)cccc1CC 184891084 MULGQEXABVKJHI-UHFFFAOYSA-N 257.377 3.944 30 20 CHED COc1ccc([C@H](C)NCc2cccc(C#N)c2)c(C)c1 414072338 UZHYQNHDVLBKGF-AWEZNQCLSA-N 280.371 3.726 30 20 CHED Cc1ccccc1[C@H](C)NCc1ccc(OCC#N)cc1 34992109 QTYHCJYIKKNCPA-HNNXBMFYSA-N 280.371 3.748 30 20 CHED CC(C)(C#N)CCCCSCC[C@H]1CCOC1 419529845 JPPYHDIIPVDVCG-CYBMUJFWSA-N 255.427 3.866 30 20 CHED Cc1ccc(C#N)cc1OCc1ccn(C2CCCC2)n1 217507379 IYQOASZOBIQWOC-UHFFFAOYSA-N 281.359 3.757 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1snc(C)c1C#N 341761806 STWZSECGJGGULV-LLVKDONJSA-N 271.389 3.675 30 20 CHED N#CCC1CCN(Cc2cccc3ccoc23)CC1 336229069 SMDIDNQQVVAWIO-UHFFFAOYSA-N 254.333 3.558 30 20 CHED N#CC1(C(=O)NCc2ccc(Cl)cc2F)CCCCC1 189361225 QXXZGKNMEWIVNA-UHFFFAOYSA-N 294.757 3.569 30 20 CHED CC(C)(C)c1nc(CCN[C@H]2CCC[C@@H](C#N)C2)cs1 185874714 KTJBHORWGQNHEJ-OLZOCXBDSA-N 291.464 3.655 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(C)cc1SC 417222426 KERMYJTWIRGBLF-NSHDSACASA-N 277.393 3.531 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CC)c1ccc(OC)cc1 78319363 RCOUWPTTXAXLOC-MRXNPFEDSA-N 288.391 3.530 30 20 CHED CCCC(=O)Nc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 185781408 MKNJVZWFNXXBJN-WBVHZDCISA-N 299.418 3.597 30 20 CHED C=CCOc1ccc(CNC[C@@H]2CC=CCC2)cc1 44583726 FZLIQTWPEAJCOE-OAHLLOKOSA-N 257.377 3.697 30 20 CHED C=CCn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)C 508902405 JSMJEGYAYHMOBT-UHFFFAOYSA-N 288.395 3.515 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Sc1ccc(C)cc1 410119933 FMCDDWQSOVUYPK-UONOGXRCSA-N 277.433 3.947 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](CC(C)C)C1 509009682 DHAOTLMNOMIMSA-CABCVRRESA-N 290.455 3.850 30 20 CHED C=C(C)CCSc1nncn1-c1cccc(Cl)c1 505434327 WQORTPVYWZVMEQ-UHFFFAOYSA-N 279.796 3.979 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](C(C)(C)C)C1 508871285 DUAYUYRHLQTQGQ-ZIAGYGMSSA-N 290.455 3.850 30 20 CHED CC(C)(C#N)CCCOc1ccc(Cl)c([N+](=O)[O-])c1 382470745 BPAJLNYCYWXAQF-UHFFFAOYSA-N 282.727 3.957 30 20 CHED Cc1ccc(CCCC(=O)OCC2(CC#N)CC2)s1 80393525 AZXLMIVBHCEMKX-UHFFFAOYSA-N 277.389 3.616 30 20 CHED C=CCN(CC=C)C(=O)NCCCc1cccc(Cl)c1 195176761 PYQMTBBEXBGLNS-UHFFFAOYSA-N 292.810 3.656 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(C)(C)c1ccc(OC)cc1 424619897 BZTDWCVWXRJSHC-UHFFFAOYSA-N 289.419 3.691 30 20 CHED C=C(CNC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccccc1 512674414 XCWXLRUEJFFXES-WMLDXEAASA-N 286.419 3.920 30 20 CHED C#CCCCC(=O)NCC1(Cc2ccccc2)CCCC1 192170303 CHUNSGGUDOHYHG-UHFFFAOYSA-N 283.415 3.709 30 20 CHED C#Cc1cccc(NC(=O)c2sccc2CC)c1 48890284 LDCXITIEDANYKB-UHFFFAOYSA-N 255.342 3.544 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccc2ncccc2c1 192977391 YAXFUZPTBFQMEV-ZIAGYGMSSA-N 254.377 3.925 30 20 CHED CN(Cc1ccsc1C(F)(F)F)CC(C)(C)C#N 529580841 APKIOYUVQTUTKE-UHFFFAOYSA-N 276.327 3.748 30 20 CHED CC[C@@H]1[C@H](C)CCN1c1nc(C(C)(C)C)ccc1C#N 613896864 UUSRQFJYMVJIMW-TZMCWYRMSA-N 271.408 3.876 30 20 CHED O=C(/C=C/c1cc(Cl)cs1)c1ccc(O)cc1O 195338993 SWLXDQJYNANHNK-DUXPYHPUSA-N 280.732 3.709 30 20 CHED C=CCN(Cc1ccccc1)Cc1nnc(-c2ccco2)o1 45840772 URTNVCAHQFHXHF-UHFFFAOYSA-N 295.342 3.518 30 20 CHED C[C@@H](Nc1ncc2c(c1C#N)CCC2)c1c(F)cccc1F 425212467 DZCYYFCQXDNOAS-SNVBAGLBSA-N 299.324 3.893 30 20 CHED N#CCCNC(=O)N1CCC[C@H]1c1cccc2ccccc12 335793310 GYIAOOXCDLYXKJ-KRWDZBQOSA-N 293.370 3.600 30 20 CHED CCCN(CC1CCCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 425846867 OHSKEOYHBYZAQK-JKSUJKDBSA-N 291.439 3.681 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 86248797 OHWJGTNZTMJXNN-AWEZNQCLSA-N 297.402 3.714 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@@H](C#N)C2CCCCC2)c1 330577919 NVAJGSFDZOMIGN-YOEHRIQHSA-N 284.403 3.687 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2c(c1)C(=O)CCCC2 421135627 BSHXOTOCMLYRMH-GFCCVEGCSA-N 286.375 3.682 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)NCC(C)(C)CCC#N 513146118 BWNSZNPANODIQR-GJZGRUSLSA-N 293.455 3.927 30 20 CHED C=C(C)CCc1noc(-c2cc(Br)oc2C)n1 424366228 WLRVMKRDVBPELC-UHFFFAOYSA-N 297.152 3.909 30 20 CHED CC(=O)c1cc(/C(O)=N/C[C@@H]2CC=CCC2)c(C)nc1C 331166963 YLNDHFSMGCBJPC-CQSZACIVSA-N 286.375 3.562 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2(CC)CCCC2)cc1 515706384 NCYTUUNDWJSYEM-MRXNPFEDSA-N 284.403 3.900 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(C(F)(F)F)ccc1F 93090909 CFWGGINJMKRUDK-SECBINFHSA-N 274.261 3.578 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccco1 90665713 PINXTKLRYIODQV-ZFWWWQNUSA-N 254.333 3.975 30 20 CHED CC1(C)CN(CCCC2(C#N)CCOCC2)[C@H]2CCC[C@H]21 339715164 CEQZNSGIBJLCHB-CVEARBPZSA-N 290.451 3.597 30 20 CHED C=CC[C@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 433280552 CJTMJDPCRKTRIN-NHYWBVRUSA-N 274.364 3.871 30 20 CHED Cc1cnccc1C(=O)Nc1scc(C(C)(C)C)c1C#N 334567894 WSOAKGOENLNPNY-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(c2ccc(O)cc2)CC1 335088056 UZLIMTFHWPQVDC-UHFFFAOYSA-N 287.403 3.701 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(C(F)(F)F)c1 435749138 RNPJPJQFKZFOAR-HIFRSBDPSA-N 299.336 3.776 30 20 CHED C[C@H]1CC(CCNc2ccc(C#N)cc2)C[C@H](C)O1 338489614 RJDKCJTTWCSOQE-STQMWFEESA-N 258.365 3.564 30 20 CHED CCC(C#N)(CC)C(=O)Nc1scnc1C(C)C 529460329 QKIOAOHJNVXCHJ-UHFFFAOYSA-N 265.382 3.535 30 20 CHED CCC(C#N)(CC)c1nc(-c2cccc(C)c2)no1 528068841 RNNGZNZTHYJLPX-UHFFFAOYSA-N 255.321 3.626 30 20 CHED C=CCCC(=O)Nc1cc(F)c(F)cc1Br 435272618 YZIPAAGOGAPDGZ-UHFFFAOYSA-N 290.107 3.632 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(-c2ccccc2)ns1 346190725 VWABCAWAHWOXRN-NSHDSACASA-N 272.373 3.505 30 20 CHED C[C@H](Nc1nc2c(cc1C#N)CCCC2)c1ncccc1F 528260355 CVKZDAQEHZKITQ-NSHDSACASA-N 296.349 3.539 30 20 CHED Cc1ccc(C[C@H](C)N[C@H]2CCC[C@@H](C#N)C2)s1 248748237 BMKVZTFYPTUWHB-YUTCNCBUSA-N 262.422 3.660 30 20 CHED Oc1ccc2ccccc2c1/C=N/[C@@H]1CCC[C@@H]2OCC[C@H]21 245787145 UHPAEMHBCVHNEL-WXIKXJKISA-N 295.382 3.922 30 20 CHED C[C@H](Cc1cccc(C(F)(F)F)c1)NCC1(CC#N)CC1 343490767 LXNLVVWAAIVOHA-GFCCVEGCSA-N 296.336 3.920 30 20 CHED Cc1csc(NC(=O)c2cc(F)cc(Cl)c2)c1C#N 344902759 STOJXFVKCQLBHH-UHFFFAOYSA-N 294.738 3.973 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 246927780 MIWLOKPAVGYDGJ-ADEWGFFLSA-N 298.169 3.942 30 20 CHED C[C@H](CCC1CC1)NC(=O)c1cccc(SCC#N)c1 346615124 NXPDNJSIZMDQHV-GFCCVEGCSA-N 288.416 3.611 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1CCOc1ccccc1C#N 525328545 BCEAKTGXXQCGEK-RDJZCZTQSA-N 286.419 3.838 30 20 CHED C=C[C@](C)(CC)c1nc(C2CCSCC2)no1 347144655 YEQRZZIYGMMINP-CYBMUJFWSA-N 252.383 3.534 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)c(C)n2)n1 341177634 UTCSBKDIXXOGLL-OCCSQVGLSA-N 296.374 3.996 30 20 CHED C[C@@H]1CC(F)(F)CCN1Cc1ccc(Cl)cc1C#N 528775305 XEVQSANTCQJGFO-SNVBAGLBSA-N 284.737 3.831 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 524062355 MEZXMBYOQXZBEV-RBSFLKMASA-N 278.440 3.847 30 20 CHED N#Cc1ccc(/C=C2\CCc3cc(F)ccc3C2=O)s1 255925207 SFNLHSJMYRBJLN-DHZHZOJOSA-N 283.327 3.971 30 20 CHED CO[C@@H]1CCOc2c(NC[C@H](C)CCC#N)cccc21 602643881 NWSSCOXGTXYLTR-IUODEOHRSA-N 274.364 3.508 30 20 CHED CO[C@H](CNC[C@@H](C)CCC#N)c1cccc(Cl)c1 602563588 YRYFIKNBSXAZHK-SWLSCSKDSA-N 280.799 3.557 30 20 CHED N#Cc1ccc(-c2cccc(CNCC3CC3)c2)cc1 600777707 RWJUFOCUMPYAHY-UHFFFAOYSA-N 262.356 3.725 30 20 CHED CC#CCN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 607726816 RDURDDAVGWDZAK-UHFFFAOYSA-N 297.442 3.803 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C[C@H]2c2ccccc2)cc1 340720386 GYZPYYPDLPVDQQ-WBVHZDCISA-N 276.339 3.691 30 20 CHED C=CCCCCCN(C)Cc1ncc(CC)s1 541534167 MCFJFBWLFHEQKC-UHFFFAOYSA-N 252.427 3.884 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1ccnn1C)CCO2 255574505 IXQXZWRZYNNLCI-GXDHUFHOSA-N 296.370 3.592 30 20 CHED C[C@H]1CC[C@H](c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)O1 528229663 DLBKIVNDYQDIIH-SMDDNHRTSA-N 297.358 3.778 30 20 CHED N#CCC1(CN[C@H](c2ccccc2)C2(CO)CCCC2)CC1 602837273 KTTVPDYZCHBINE-QGZVFWFLSA-N 298.430 3.564 30 20 CHED CCCc1nc(CSCc2ccc(C#N)c(C)c2)no1 447413973 PGOBJQPRSDHYHU-UHFFFAOYSA-N 287.388 3.636 30 20 CHED COc1ccc2c(c1)CN(CCC#N)[C@H](C1CCCCC1)C2 444750930 MEUUBSOAZHRMJW-IBGZPJMESA-N 298.430 3.916 30 20 CHED C[C@@H](CC#N)N(C)Cc1cnc(CCc2ccccc2)s1 449024244 ZNSPXEXLGYLGPD-AWEZNQCLSA-N 299.443 3.662 30 20 CHED CCCCN1CCCC[C@@H]1CNC1CCC(C)(C#N)CC1 449133122 XBTFJDQGJAVALM-LXPRWKDFSA-N 291.483 3.703 30 20 CHED CC[C@H](NC[C@H](CCO)CC(C)C)c1ccc(C#N)cc1 447559985 BQIAMUUVKNVJOP-AEFFLSMTSA-N 288.435 3.644 30 20 CHED C/C(=C/C(=O)O[C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl 255514831 GWACOBAAWUJVDV-FUTHCOOYSA-N 289.762 3.979 30 20 CHED N#Cc1ccccc1/C=C1/CCc2cc(F)ccc2C1=O 255506356 WSFQCTWKCTWAHT-ZROIWOOFSA-N 277.298 3.910 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3cccc(F)c3)cnc12 255323882 BUEOUHLXDAJDJM-FPLPWBNLSA-N 280.302 3.678 30 20 CHED CCS[C@@H](C)c1noc(CCc2ccc(C#N)cc2)n1 357331716 TXUJWNAKTDVLFQ-NSHDSACASA-N 287.388 3.541 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C1CC2(CCC2)C1 602392716 ORYREZVKDAWROA-UHFFFAOYSA-N 286.350 3.571 30 20 CHED CCC[C@@H](C#N)NC(=O)CCc1ccc(C(C)C)cc1 608816462 PJFSSVJYBLUGJU-INIZCTEOSA-N 272.392 3.551 30 20 CHED COc1cc(NCc2cc(C#N)cs2)cc(OC)c1C 353667102 SJYZEPCQMSSRHH-UHFFFAOYSA-N 288.372 3.558 30 20 CHED C=CCC[C@H](CCC)NCC1CCN(C2CC2)CC1 446889425 WXBGOFWQCHHMPM-INIZCTEOSA-N 264.457 3.585 30 20 CHED C=CCCCCCN(C)C(=O)CCc1ccc(OC)cc1 606816829 OQXABESYNGGANS-UHFFFAOYSA-N 289.419 3.833 30 20 CHED C[C@H](CN(C)c1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 608974442 WXKBVJWZKSKYSX-CYBMUJFWSA-N 295.342 3.706 30 20 CHED C=CCCCC(=O)N(CCC#N)c1ccc(OCC)cc1 267315401 OIWYQMIKFBKBRA-UHFFFAOYSA-N 286.375 3.688 30 20 CHED C=CCN(C(=O)c1ccc(OCCC(C)C)cc1)C1CC1 536821853 OYWPMWTVMCHZAR-UHFFFAOYSA-N 287.403 3.902 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1ccccc1C(F)(F)F 539359999 WDFRZWXNXZMHEN-RYUDHWBXSA-N 287.325 3.683 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 617788841 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CCCCN1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1 538395303 JPRXQEIAHGICNH-VQIMIIECSA-N 299.462 3.863 30 20 CHED C[C@H](CCC#N)N1CCC[C@@H](c2ccccc2)CC1 351322908 DCVFCPWKCLGEHJ-NVXWUHKLSA-N 256.393 3.948 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C(C)(C)C)C1 612301697 JBRRIVDXIYMGGN-CQSZACIVSA-N 285.391 3.767 30 20 CHED Cc1noc(C)c1[C@H](C)NCc1ccc(Cl)cc1C#N 614179257 LLFJTRULXJOMCC-VIFPVBQESA-N 289.766 3.667 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](C)CCC)c1 619277204 ALYAEHPEPDKLLE-GFCCVEGCSA-N 262.353 3.562 30 20 CHED C=CCN(C(=O)NC[C@@H](CC)CCCC)C1CC1 538958848 NESDTYPRVCMZDD-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=C(CC)CNC(=O)[C@H](C)CSc1ccc(F)cc1 456809920 CYAUDPJEDVDSGA-GFCCVEGCSA-N 281.396 3.636 30 20 CHED C=CCCSc1nnc(CCc2ccccc2)o1 361395560 PGOUEEDVBLZJKH-UHFFFAOYSA-N 260.362 3.523 30 20 CHED C=CCC1(NC(=O)[C@H]2CCO[C@H](CC)C2)CCCCC1 456367090 NBRMCTWPTPJQMD-LSDHHAIUSA-N 279.424 3.587 30 20 CHED C[C@@H]1CC=C(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 454573122 WFNBSGFLQGEDHP-CQSZACIVSA-N 294.398 3.796 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(Cl)cc1F 454187611 DAYQVXSJOCXXHG-UHFFFAOYSA-N 256.708 3.567 30 20 CHED COc1ccc(C#N)cc1CN[C@H](C)c1ccc(F)c(C)c1 451161192 HQZZSMGQKUCXIJ-CYBMUJFWSA-N 298.361 3.865 30 20 CHED CC(C)Oc1ccc(CCN[C@H]2CCC[C@@H](C#N)C2)cc1 613255302 XDHBCFUVRYJEFA-SJORKVTESA-N 286.419 3.688 30 20 CHED C[C@@H]1CCCN(C(=O)CC(C)(C)C#N)c2ccccc21 278672418 CRPRPKLBDYKHPS-CYBMUJFWSA-N 270.376 3.857 30 20 CHED CC(C)(C#N)CC(=O)Nc1nc(-c2ccccc2)cs1 278274649 PDRVRIDYECCWRM-UHFFFAOYSA-N 285.372 3.688 30 20 CHED C#CC[C@@H](NC(=O)N(C)CC1CCCC1)c1ccccc1 270394538 IOLMXRGMAOVCEL-QGZVFWFLSA-N 284.403 3.583 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2cccc(C#N)c2F)C1 540341154 VCBHLRWCODTMBZ-INIZCTEOSA-N 294.373 3.995 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C=C1CCCCC1 272468053 DFWQBVMEUZPOKU-ZDUSSCGKSA-N 284.359 3.806 30 20 CHED C#CC[C@@H](N[C@H](C)c1cncc(C)c1)c1ccccc1 274417597 SYYAGKDGDIVRGT-CRAIPNDOSA-N 264.372 3.805 30 20 CHED C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 543152869 MGRJMBXZXSIHFH-IUODEOHRSA-N 270.376 3.862 30 20 CHED C[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1ccccc1Cl 457465918 SYDWCDFHTZILLF-LLVKDONJSA-N 293.798 3.592 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1[C@H]1CC[C@@H](C#N)C1 278727611 VOFFPAZJLRDPKN-LGWLGOQQSA-N 272.367 3.696 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1C 541658979 UHSOIYOPZVUNPK-JTNHKYCSSA-N 290.794 3.766 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cc(OC)c(OC)cc1C 453303160 BIFLHSOHNCSYEH-CYBMUJFWSA-N 277.408 3.875 30 20 CHED C=CC(C)(C)CNC(=O)N(CC)[C@H](C)Cc1ccsc1 458986757 KXBRRATZCVLPEF-CYBMUJFWSA-N 294.464 3.923 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(C)cc(C#N)c1 455950875 GOTDBCQFVVEWAJ-DOMZBBRYSA-N 271.364 3.662 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C)cc(Br)c1O 450469830 SEPIAHVLRQKWIE-UHFFFAOYSA-N 298.180 3.614 30 20 CHED C[C@H](NC(=O)c1ccc(CC#N)cc1)[C@H](C)c1ccccc1 270411891 XTZLFJMMOZJTLA-GJZGRUSLSA-N 292.382 3.675 30 20 CHED C[C@@H]1CC=C(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 456001037 RMDPIKILWIQYNI-PBHICJAKSA-N 282.387 3.894 30 20 CHED C[C@@H]1CC/C(=C/C(=O)Nc2ccccc2O[C@H](C)C#N)C1 272672666 KPBBAXTWOJQVPU-OFLZDLGMSA-N 284.359 3.662 30 20 CHED CC(C)(CCC#N)CNC1CCC2(CCOCC2)CC1 371187450 YWGHUQDLFWACKN-UHFFFAOYSA-N 278.440 3.645 30 20 CHED Cc1cncc([C@H](C)NC2(c3cccc(C#N)c3)CC2)c1 274387644 NTQUQDYKSUYEEL-AWEZNQCLSA-N 277.371 3.602 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC1CC1)CC1CC1 540490103 MEIOBIANNBCEOQ-CYBMUJFWSA-N 264.413 3.563 30 20 CHED C=CCOCCCC(=O)N1CCCC[C@H]1c1ccccc1 273888766 MSBNBXYECNTMJO-KRWDZBQOSA-N 287.403 3.723 30 20 CHED CC[C@H](NCC1(C#N)CC1)C(C)(C)c1ccccc1 540520254 FADOHVDMOFROHZ-HNNXBMFYSA-N 256.393 3.636 30 20 CHED C=CC[C@@H](C(=O)NCC1CC(C)C1)c1ccccc1 622238096 BFSGTKQNQIVFOL-ZBCRRDGASA-N 257.377 3.509 30 20 CHED N#Cc1ccnc(SCc2ccc3ncccc3c2)c1 545314316 YDTUJFXHLFVWGY-UHFFFAOYSA-N 277.352 3.794 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(C#N)cc1Cl 556262076 VNHVXZFJPKTYPJ-QCZZGDTMSA-N 266.747 3.753 30 20 CHED C=CCC[C@@H](NC(=O)c1ocnc1C1CC1)c1ccccc1 288568067 KMFLSUNQYBWYLF-OAHLLOKOSA-N 296.370 3.989 30 20 CHED CC[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(C#N)cc1 287183589 CTSDUOSTYWMDJH-KBPBESRZSA-N 282.309 3.940 30 20 CHED C=CCCN(C)C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F 466966337 SIFZVBOADVDIBB-NEPJUHHUSA-N 292.345 3.573 30 20 CHED CCc1c(NCc2ccc(C#N)cc2)cnn1CCC(C)C 550989093 BYPAQOJITURNDG-UHFFFAOYSA-N 296.418 3.975 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(F)c(F)c1 280650625 OEUVHJHKPAXUGC-GHJWDPDVSA-N 281.346 3.597 30 20 CHED CC(C)(C#N)CCN1C[C@H]2CCCCN2c2ccccc21 550423108 XVXHDKHRRBYENC-OAHLLOKOSA-N 283.419 3.805 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccc2ccc(F)cc2n1 462087966 LDVDMMXAJNLSGE-UHFFFAOYSA-N 291.329 3.882 30 20 CHED C=C(C)Cn1c(-c2ccccc2C)nnc1N(CC)CC 460542684 FXGCEXJCLOSLEI-UHFFFAOYSA-N 284.407 3.676 30 20 CHED CCCCCCNC(=O)c1cc(C#N)ccc1Cl 285472900 NYWZURZASSMEEE-UHFFFAOYSA-N 264.756 3.522 30 20 CHED C=CCC[C@H](Nc1ccc(F)c(NC(=O)NC)c1)C1CC1 287461558 LVXCMGAOGRNHSM-AWEZNQCLSA-N 291.370 3.734 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1cc2cccc(F)c2o1 473869024 NGUBLNWBGPUNFG-WDEREUQCSA-N 290.338 3.897 30 20 CHED C[C@@H](C1CC1)N(CCCOc1cccc(C#N)c1)C1CC1 477141479 FZYBQKRLPJSHMW-AWEZNQCLSA-N 284.403 3.590 30 20 CHED C#C[C@@H](NC(=O)C=C1CCCC1)c1ccc(Cl)cc1F 804422360 NZYMFESVEJELMC-OAHLLOKOSA-N 291.753 3.770 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-c2csc(C)n2)s1 631344761 SHBCZBULTYRFRH-SECBINFHSA-N 292.429 3.874 30 20 CHED CCCOc1ccc2c(c1)CCN([C@@H]1CC[C@H](C#N)C1)C2 293904195 WHJMNKHFYZSVHL-WMLDXEAASA-N 284.403 3.526 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1ccc(CC#N)cc1 294021864 VVGNCUGIAIXLNH-UHFFFAOYSA-N 292.382 3.726 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1cnccc1C#N 805167871 IRHWSYKDYPGVSS-ZBFHGGJFSA-N 299.418 3.536 30 20 CHED CCCCCCCCC(=O)N(C)Cc1conc1CC 293864730 AOCCHJCRAYMOIF-UHFFFAOYSA-N 280.412 3.946 30 20 CHED COc1cc([C@@H](C)NCCC#N)ccc1OCCC(C)C 299668940 MCWFYZPSCIXYGI-CQSZACIVSA-N 290.407 3.684 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H](c1ccccc1)C(C)C 292438538 MJHCCSKHYHHXGZ-KRWDZBQOSA-N 284.403 3.745 30 20 CHED C=CCOCCS[C@H](C)[C@@H](C)SCCOCC=C 292706389 RAWPLZAEORGAOI-ZIAGYGMSSA-N 290.494 3.635 30 20 CHED C=C(Cl)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 297939925 AGIHQPIRPVLAIH-OLZOCXBDSA-N 272.175 3.512 30 20 CHED C=C(C)CNC(=O)Nc1c(F)cccc1SCC 290006335 DBSMOEPHKMHNFG-UHFFFAOYSA-N 268.357 3.635 30 20 CHED N#Cc1cccc(CN2CCC=C(c3ccccc3)C2)c1F 560169395 WDOHFLPAFDMXSS-UHFFFAOYSA-N 292.357 3.987 30 20 CHED CC(C)CCC(=NN[C@@H]1CCOC(C)(C)C1)C1CC1 802711927 DKDHYBUALSEDSN-CQSZACIVSA-N 266.429 3.736 30 20 CHED CCN(Cc1ccccc1C)C(=O)[C@@]1(C#N)CC12CCCC2 294413695 PITNCNRPUNYLMZ-IBGZPJMESA-N 296.414 3.818 30 20 CHED CC[C@@H](CC(F)(F)F)N[C@@H]1CCc2ccc(C#N)cc21 569974888 XYUFDAZCUMABCA-GXTWGEPZSA-N 282.309 3.866 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C=C\c2ccccc2)cc1 809257383 KLQZRMHOTGYVAZ-ADYSOMBNSA-N 290.366 3.643 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1c(Cl)cccc1OC 640719248 FATPSFNSRQAXSJ-NSHDSACASA-N 294.782 3.921 30 20 CHED C[C@@H](C#N)OCCSCc1cc(-c2ccccc2)on1 802749557 GSZFUERTWVSKSN-LBPRGKRZSA-N 288.372 3.503 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(F)c2ccccc12 566981147 YBYHBPOYJIQDDG-LBPRGKRZSA-N 268.335 3.933 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(Oc2ccccn2)cc1 808076400 UQHSDQOIUOXPQW-QGZVFWFLSA-N 296.326 3.719 30 20 CHED C#CCO[C@H](C)c1nc(-c2cccc(SCC)c2)no1 296280746 CPGRAUZMIVOLES-LLVKDONJSA-N 288.372 3.559 30 20 CHED C=CCN(CCOC(C)(C)C)CC1CCCCC1 484542271 MMJGYYXNWBNJHL-UHFFFAOYSA-N 253.430 3.870 30 20 CHED C=C(C)[C@H](NC[C@H]1C[C@H]1C)c1ccc(F)c(F)c1 488561022 PZQSGOHMOZGQTA-HCKVZZMMSA-N 251.320 3.828 30 20 CHED CC(C)(CCC#N)CNCc1ccc2[nH]ccc2c1 566571496 CKVXTOHKQAUBTP-UHFFFAOYSA-N 255.365 3.587 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(NC)s1 564326578 KSMGJHQGFDWCOA-UHFFFAOYSA-N 292.448 3.998 30 20 CHED N#C[C@H]1CC[C@@H](/N=C/c2c(O)ccc3ccccc23)C1 818991788 JNMIIWCCPKZRTM-WKYNXFGKSA-N 264.328 3.657 30 20 CHED Cc1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)c(C)c1 566887364 GBCJKBARYLDUHF-UHFFFAOYSA-N 281.315 3.695 30 20 CHED C#C[C@H](NC(=O)Nc1cc(C)ccn1)c1ccc(Cl)cc1 810204812 ZPTNMWALZGAHGV-AWEZNQCLSA-N 299.761 3.539 30 20 CHED CCC(Cc1ccccc1)=NNc1ccccc1C(=O)O 812445901 FDCGPMAKVOIBNL-UHFFFAOYSA-N 282.343 3.805 30 20 CHED Fc1ccc(NN=Cc2cccs2)c(F)c1F 814945748 OLEZJGKUNDQLAK-UHFFFAOYSA-N 256.252 3.611 30 20 CHED C=C(Cl)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C 717976904 XWTJJYANSVYSPO-GJZGRUSLSA-N 279.811 3.712 30 20 CHED Cc1ccc(NN=C2CC[C@H](c3ccccc3)C2)nn1 814840845 STLORFMHXSBAIT-AWEZNQCLSA-N 266.348 3.521 30 20 CHED CCCCCC(=O)Nc1cc(C#N)c2ccccc2n1 572402884 KVRHZFMMKVCQCD-UHFFFAOYSA-N 267.332 3.625 30 20 CHED C=C(C)[C@H](N[C@H](C)[C@@H]1CCCO1)c1ccc(F)c(F)c1 480664016 WPCOZDPTLUGHAP-RLCCDNCMSA-N 281.346 3.739 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3ccc(C#N)cc3)c2c1 488257813 CXFWWXFNRZZRML-UHFFFAOYSA-N 299.333 3.866 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(O)ccc2C)c1 816900187 JBEUIJDXYMOABG-UHFFFAOYSA-N 283.327 3.518 30 20 CHED C[C@H](NN=C1CCC[C@@H](c2cccnc2)C1)c1ccncc1 819818675 OXJZRJYSUYDUSI-GOEBONIOSA-N 294.402 3.841 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)cc1 578391812 AJPVMJAWLBVGMR-QGZVFWFLSA-N 270.376 3.587 30 20 CHED C#C[C@H](Nc1nc(CCC)ns1)c1ccc(Cl)cc1 812477516 QGUXKCFCZWMIOO-LBPRGKRZSA-N 291.807 3.930 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(OCC2CC2)cc1 816044159 SZDMDTRLFVELOA-UHFFFAOYSA-N 296.313 3.730 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](c1ccccc1)C1CC1 489824984 LCRQQNVUXGZEGF-MRXNPFEDSA-N 271.404 3.899 30 20 CHED CC(C)OCCON=C1CCC[C@H]1c1ccccc1 812238928 JIYLYHKDTYYYPW-HNNXBMFYSA-N 261.365 3.752 30 20 CHED C=CC[C@@H](C)NC(=O)CCOc1ccc2ccccc2c1 486400443 VNEUWHKBMIOPBE-CQSZACIVSA-N 283.371 3.690 30 20 CHED C=CCC[C@@H](NCc1cnc(C)n1C)c1ccccc1 578885007 ZFRBKFFKPMDICD-QGZVFWFLSA-N 269.392 3.526 30 20 CHED C=C(Cl)COC(=O)c1nc2ccccc2cc1Cl 811295150 XVZKEMYYNBPOHP-UHFFFAOYSA-N 282.126 3.798 30 20 CHED C=CCN(CCc1ccccc1)CCc1ccc(OC)cc1 578902829 RLLGGTMDPBGOFL-UHFFFAOYSA-N 295.426 3.968 30 20 CHED CC(C)(C)c1cnc(/C=C\c2ncccc2C#N)s1 486075144 LYENQUQVAVVYIF-SREVYHEPSA-N 269.373 3.878 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(F)cc1Cl 811667707 BKSPSRIFNKLDPS-MDIBBOIVSA-N 262.111 3.972 30 20 CHED CCc1cnc(C=NNc2ccc(OC(F)F)cc2)s1 814829019 XOBJXWKPZFKZMY-UHFFFAOYSA-N 297.330 3.753 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)OCCOCCC#N 815211770 ZCRRRUYAORPMKY-MRXNPFEDSA-N 295.423 3.702 30 20 CHED Clc1cncc(NN=C2CCCC23CCCC3)n1 814797445 JCGSIJFHEWMFOM-UHFFFAOYSA-N 264.760 3.642 30 20 CHED C#Cc1ccccc1CC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 812978463 QVUNYDOEXJIJNH-GJZGRUSLSA-N 283.415 3.636 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nn2)s1 728699272 FEGOAJWLTYIUJK-HJWRWDBZSA-N 295.367 3.533 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C/C=C\C)c1 727330831 VXJCKPBDTSHEOY-VWJYOPCBSA-N 257.333 3.712 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1ccc(F)c(F)c1 575431736 BPXINMUSEVMEHP-UHFFFAOYSA-N 253.292 3.530 30 20 CHED C=C(CC)CNCc1cn(-c2ccc(C)cc2)nc1C 655792615 MVBLCKDIQSNQHX-UHFFFAOYSA-N 269.392 3.545 30 20 CHED CC(C)(C#N)CCSc1nc2ccc(C(=O)O)cc2o1 826070541 AAPAJZNZHARDHP-UHFFFAOYSA-N 290.344 3.558 30 20 CHED Cc1cccc2c1CC[C@@H]2/N=C\c1ccccc1O 729641146 CZTIEKCUQRDODO-GYXHFJGISA-N 251.329 3.807 30 20 CHED CC(C)C[C@H](C)CC(=O)OCc1cc(C#N)ccc1F 727880949 FHJWIOMGGDUSPT-LBPRGKRZSA-N 277.339 3.813 30 20 CHED C#Cc1cccc(NC(=S)N(CCC)CC(C)C)c1 726484715 PQMQJFHEEQKYMR-UHFFFAOYSA-N 274.433 3.733 30 20 CHED C=CCCC(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 588102407 OWGJGSFNJRCGMK-AEFFLSMTSA-N 287.403 3.579 30 20 CHED CCCCCCC[C@H](C)CNC(=O)/C=C/[C@@H]1CCOC1 822678096 VFRCTPVOKFCMAM-DMGQIGSTSA-N 281.440 3.692 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1Cl 903167018 VUOLDPMOJPMRDX-KRWDZBQOSA-N 297.789 3.848 30 20 CHED CCO[C@@H]1C[C@H](NC(=O)CCCCCC#N)C1(CC)CC 588160918 VRPJHOOERRCMOM-LSDHHAIUSA-N 294.439 3.560 30 20 CHED C=CCOc1ccc(C(=O)NCc2ccc(C)cc2C)cc1 495917975 SJAPKPNJSGQTQJ-UHFFFAOYSA-N 295.382 3.798 30 20 CHED C#CCOc1cccc(Oc2nc3ccccc3o2)c1 730566618 AGRXFEAYAVQAQQ-UHFFFAOYSA-N 265.268 3.632 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccc([N+](=O)[O-])cc1 903286775 GLNOQYXTRPTQEF-XEBKBJJBSA-N 287.363 3.718 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(OC(F)F)cc1 739913521 KUQWQBXKMSXWLC-UHFFFAOYSA-N 282.334 3.660 30 20 CHED C[C@H](C#N)CSc1ccccc1NCc1ccccn1 905105366 ZQVOKBWYZQWKGJ-CYBMUJFWSA-N 283.400 3.945 30 20 CHED Cc1ccc2c(c1)CCC2=NN=c1cc[nH]c2ccccc12 730145973 AJTQQNGLXKXBRW-UHFFFAOYSA-N 287.366 3.728 30 20 CHED Cc1cccc2c(CC(=O)O[C@H]3CCC[C@H](C#N)C3)c[nH]c12 839053864 MEKQXXUTIKQZKS-ZFWWWQNUSA-N 296.370 3.644 30 20 CHED Cc1ccc([C@H](C)NC(=O)CCCCCC#N)cc1 588151900 QBPSYCQBPLJNST-AWEZNQCLSA-N 258.365 3.646 30 20 CHED N#C[C@]1(C(=O)OC[C@H]2CCCCC2(F)F)CC12CCCC2 837903573 WAJCWMKORMCNRL-DOMZBBRYSA-N 297.345 3.829 30 20 CHED FC(F)(F)Cc1ncc(C=NOC2CCCCC2)s1 901222150 CDYDOFGKQXNJTC-UHFFFAOYSA-N 292.326 3.931 30 20 CHED C[C@@H]1CCCC[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 580982572 VCYFKEACMMHYMQ-DQYPLSBCSA-N 254.377 3.714 30 20 CHED C=C(Cl)CNC(=O)[C@H](SCc1ccccc1)C(C)C 736245999 KNCZLUZOAQKOFX-CQSZACIVSA-N 297.851 3.813 30 20 CHED Cn1c(Cl)cnc1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 834434779 STSDCUREMHFEMF-ZWSXMNCCSA-N 298.773 3.773 30 20 CHED N#CCCCCCC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 588164682 BHIPDUUYXYFEPH-MSOLQXFVSA-N 298.430 3.988 30 20 CHED CCOc1ccc(N(C)Cc2ccc(C#N)cc2F)cc1 739922317 GXRSLGZOSMZALL-UHFFFAOYSA-N 284.334 3.732 30 20 CHED N#CCCCCCC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 588166058 OVAMJTLXMJZZOK-KOMQPUFPSA-N 288.366 3.662 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1cccc(C2CC2)c1 833041995 MAZIURHCNVAIGU-LLVKDONJSA-N 279.330 3.953 30 20 CHED Cc1occc1CNc1cccc(Br)c1C#N 589563585 KJXWHTJBQNNLJS-UHFFFAOYSA-N 291.148 3.834 30 20 CHED CC[C@H]1CN(c2cc(C#N)ccn2)CC[C@H]1c1ccccc1 583862989 DJMAXYRPHPKAKQ-FUHWJXTLSA-N 291.398 3.973 30 20 CHED C=C(CNC(=O)Nc1scnc1C1CC1)c1ccccc1 672711912 DNJBNPXXQMKTJK-UHFFFAOYSA-N 299.399 3.855 30 20 CHED CCC(CC)N(CC)Cc1ccc(C#N)cc1OC 582988876 VTTLTPXVKPEGCU-UHFFFAOYSA-N 260.381 3.577 30 20 CHED CCc1ccc([C@H](NC(=O)NCC2(C#N)CC2)C(C)C)cc1 583600015 LSGXVJXBGCEQES-MRXNPFEDSA-N 299.418 3.549 30 20 CHED C[C@H](C#N)COC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835238422 MKPCRZYEVBRAJJ-NXEZZACHSA-N 285.265 3.669 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1cc(F)ccc1F 915915404 GHAGSQBJFRXFDA-UHFFFAOYSA-N 286.285 3.677 30 20 CHED C#CCC[C@@H](C)OC(=O)c1csc(-c2ccccc2)n1 839033933 KJHUBFGIPOBQND-GFCCVEGCSA-N 285.368 3.769 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 839047768 ZYGNMWHKDQMBMY-IPOQPSJVSA-N 287.334 3.555 30 20 CHED N#CC1(CSCCc2c(F)cccc2F)CC1 592459241 AWWOAZKOHCLEGH-UHFFFAOYSA-N 253.317 3.544 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccccc2OCC2CC2)C1 839052096 PERXCCMJUJUYLB-GJZGRUSLSA-N 299.370 3.715 30 20 CHED CCCC[C@H](C(=O)Nc1cc(CC#N)ccn1)C(C)C 598689595 KLGJYKXTZJGSSD-AWEZNQCLSA-N 273.380 3.549 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1ccc(OC(C)C)cc1 916242008 VICKRPHTFVBCQS-UHFFFAOYSA-N 298.390 3.717 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)[C@@H]1C[C@@H]1C 841622566 XNICAWKIEXVPMM-VHSXEESVSA-N 260.341 3.504 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C 593657540 KSOKCUUCJSPHTM-DGCLKSJQSA-N 298.308 3.655 30 20 CHED N#Cc1cccc(COC(=O)Cc2cccc(C3CC3)c2)c1 840609778 KMFIGIHYOJFRAC-UHFFFAOYSA-N 291.350 3.722 30 20 CHED CSCCCCC(=O)OCCC1(C#N)CCCCC1 840235600 MIUVOJZXWZROEC-UHFFFAOYSA-N 283.437 3.927 30 20 CHED Cc1ncccc1C=NNc1ccc(Cl)c(F)c1 747634860 BWJYQYAPGGHWHZ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCc1ccccc1OS(=O)(=O)c1sccc1C 742270250 IIBBDCYVUOUTMF-UHFFFAOYSA-N 294.397 3.553 30 20 CHED CN(CC[C@@H]1CCc2ccccc21)CC(C)(C)C#N 595502895 XELRBGFTSVCPJE-HNNXBMFYSA-N 256.393 3.588 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cn1)[C@H]1C[C@@H]1C 841602151 AGSINUKEVTYKER-WPRPVWTQSA-N 271.286 3.934 30 20 CHED C[C@@H](CCO)Sc1c(C#N)cnc2c(Cl)cccc12 591917135 FBIAHUAPEDISDV-VIFPVBQESA-N 292.791 3.623 30 20 CHED CCON=CC1=Cc2cc(Cl)cc(Cl)c2OC1 915271124 KVQAYJIAGBEOOC-UHFFFAOYSA-N 272.131 3.792 30 20 CHED Cc1ccc(C)c(SCC(=O)OCC2(CC#N)CC2)c1 744277428 JYLGJCBESAGFSF-UHFFFAOYSA-N 289.400 3.633 30 20 CHED C=CCOCCSCc1c(F)c(F)c(F)c(F)c1F 842167095 WYCNKUDOEJIHSX-UHFFFAOYSA-N 298.276 3.818 30 20 CHED CC(C)(C#N)c1ccc(CN[C@]23CCC[C@H]2C3)cc1 594954484 ZZDPWSNSEYBIOV-RDJZCZTQSA-N 254.377 3.520 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1cc(F)ccc1F 915979559 WBEOWQFDTMOBKI-UHFFFAOYSA-N 296.267 3.757 30 20 CHED Cc1ccc(Cl)c(OC(=O)c2cccc(CC#N)c2)c1 915811692 NPOGNLIKWNMKSN-UHFFFAOYSA-N 285.730 3.934 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](CC1CCCC1)c1ccccc1 593546639 IDJKWPGUZPHPBQ-DOTOQJQBSA-N 284.403 3.974 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H]1C1CCC1 591658417 GYRQJZKVTXXBPS-OKZBNKHCSA-N 266.388 3.714 30 20 CHED CC(=O)c1ccccc1OCCSCC1(CC#N)CC1 596332285 YJOJAWKVOKPZRA-UHFFFAOYSA-N 289.400 3.695 30 20 CHED COc1ccccc1[C@H]1CCN(c2ccc(C#N)cc2C)C1 846749533 FGNYLLXCXKXVLV-INIZCTEOSA-N 292.382 3.869 30 20 CHED CCc1csc(CC2CCN([C@H](C)CCC#N)CC2)n1 594018959 ARAAMIVMFXZAKB-CYBMUJFWSA-N 291.464 3.652 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)/C=C\c1cnn(C)c1 917873040 UKOGNPYEBAWCPZ-JQPIKURYSA-N 291.439 3.546 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1c(Cl)cc(F)cc1Cl 594088173 PSPRPBQRSFJJLA-MRVPVSSYSA-N 289.137 3.507 30 20 CHED COc1cccc(NN=C(C)c2ccc3c(c2)COC3)c1 743432743 RIDUHUCAMCVFQO-UHFFFAOYSA-N 282.343 3.562 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 593393273 TZHKSOPECJGGHG-YPMHNXCESA-N 299.399 3.510 30 20 CHED Cc1ccc(N(Cc2ccco2)C(=O)[C@@H](C)C#N)cc1C 746244384 KYAZTCAOOTYUQM-AWEZNQCLSA-N 282.343 3.589 30 20 CHED CCC[C@@H](C(=O)N(C)CCC#N)c1cccc(Cl)c1 599152528 ZLGAMCCROBMACO-CQSZACIVSA-N 278.783 3.596 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597904699 JMQKOVXEDXMBSO-AEFFLSMTSA-N 296.414 3.889 30 20 CHED CC(=NNc1nc(-c2ccccc2)cs1)[C@H]1CCOC1 741757382 QRMLMKRZNVGNEL-ZDUSSCGKSA-N 287.388 3.634 30 20 CHED C=C(Cl)CNc1cc(NC(=O)C(C)C)ccc1C 849313888 QVHLYBCIJXMLRF-UHFFFAOYSA-N 266.772 3.754 30 20 CHED COc1ccccc1C=NOCc1cc(C)sc1C 920399267 OWOHNPIIGMNGJZ-UHFFFAOYSA-N 275.373 3.924 30 20 CHED CC1(C)C(=NOCC(F)F)C[C@H]1c1ccccc1 758906892 NJPUBTWQZVUCOP-NSHDSACASA-N 253.292 3.838 30 20 CHED C#CCCCCNC(=O)N(CCC)CC1CCCCC1 758889546 USXIOKWBHFQNTR-UHFFFAOYSA-N 278.440 3.792 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F 754357313 IEYNCXWIFMNTDO-OAHLLOKOSA-N 299.320 3.773 30 20 CHED CCC(=NNc1cc(C)nc(C)n1)C1CCCCC1 750934527 MFFGRANIRBSIDM-UHFFFAOYSA-N 260.385 3.852 30 20 CHED CCCCCC[C@@H]1CCCC1=NNC1CCOCC1 757594326 WQYKWWDJUWTUAB-CQSZACIVSA-N 266.429 3.882 30 20 CHED COc1cc(F)cc(C[C@@H](C)N[C@@H](C)CC(C)(C)C#N)c1 926556434 XRXYRBBFALJWPE-OLZOCXBDSA-N 292.398 3.683 30 20 CHED C=C[C@@](C)(CC)C(=O)N(Cc1ccccn1)CC(C)C 928736431 JENQPNBUGOLNHS-KRWDZBQOSA-N 274.408 3.669 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cnn(-c2ccccc2F)c1 925938376 PQWOFXZFXYFMJJ-LBPRGKRZSA-N 286.354 3.752 30 20 CHED CCOC(=O)[C@H]1CCC(=NOCc2ccccc2)C[C@@H]1C 758098239 QAFDMNJRZUKMGQ-BBRMVZONSA-N 289.375 3.559 30 20 CHED Fc1ccccc1-c1ccc(C=NO[C@@H]2CCCCO2)o1 755813674 HEKYFIBYSFSEKJ-MRXNPFEDSA-N 289.306 3.963 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cccc(C(F)(F)F)c1 755825641 ZNBIZHJCKFBJDL-ZDUSSCGKSA-N 287.281 3.973 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1c1nccn1CC 935782907 ARGPTMWNPOSGLU-LSDHHAIUSA-N 289.423 3.559 30 20 CHED N#C[C@H]1CCC[C@H](NCCCCCCCN2CCCC2)C1 765927384 RNAIPIBNWSPLEK-ROUUACIJSA-N 291.483 3.705 30 20 CHED C[C@@H](Cc1cccnc1)NCc1ccccc1C(C)(C)C#N 934232727 FYRFPGVOLVLMBN-HNNXBMFYSA-N 293.414 3.604 30 20 CHED FC(F)(F)CON=C1C[C@@H]2CCCc3cccc1c32 763370761 UHBLPWBEQCRNOO-JTQLQIEISA-N 269.266 3.793 30 20 CHED C#Cc1cccc(NC/C=C\c2ccc(F)cc2)c1 766444792 RDOKXNYKNKVJOD-XQRVVYSFSA-N 251.304 3.932 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC(C)(C#N)CC1 935295517 NCIKBYBRPFYGTA-UHFFFAOYSA-N 288.391 3.651 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1Cl)c1cncs1 761475338 DNDUBOGVKXLSEC-IWQZZHSRSA-N 285.155 3.741 30 20 CHED Cc1cc(OC(=O)c2cncc3ccccc23)ccc1C#N 765091052 CQLJLNPUBDVOAR-UHFFFAOYSA-N 288.306 3.634 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCc2ccc(Cl)cc21 863634060 GCQWNUUEVVGTRB-ZDUSSCGKSA-N 263.768 3.656 30 20 CHED CCc1ncc(C=NNc2c(C)cccc2F)s1 769829086 ZTSWGNPHGBDLGW-UHFFFAOYSA-N 263.341 3.599 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)c(OC)c(F)c1 930336422 SKSYMKPYQNISHQ-VIFPVBQESA-N 269.291 3.514 30 20 CHED C#CCCCCCc1nc(Cc2cc(C)ccc2OC)no1 761416352 DKMIJWLRRFNPOX-UHFFFAOYSA-N 298.386 3.714 30 20 CHED Cc1cc(C)c(C=NNc2nc(C(F)(F)F)cs2)[nH]1 760261140 YISBJSYTEHDMTE-UHFFFAOYSA-N 288.298 3.553 30 20 CHED CCOc1cccc(/C=C2\CCc3scnc3C2=O)c1 863196867 XZCLQRWGNMZZSJ-XYOKQWHBSA-N 285.368 3.754 30 20 CHED C[C@@H](OC(=O)[C@H](C)C(C)(C)C)c1cccc(C#N)c1 764611505 CJKJFJOTBBHMAJ-NWDGAFQWSA-N 259.349 3.845 30 20 CHED CCCCCCCNC(=O)Nc1ccccc1CCOC 860995499 WYPAHOKSSOAUBY-UHFFFAOYSA-N 292.423 3.967 30 20 CHED Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(C#N)cc1 765011423 MJQNWRRUCHOPHQ-GOSISDBHSA-N 292.382 3.870 30 20 CHED Fc1ccc(C#CCn2nc(Cl)c3ccccc32)cc1 767403353 ROESGAQSWKWOJD-UHFFFAOYSA-N 284.721 3.881 30 20 CHED CC1(C)CCC[C@@H]1c1nnc(-c2ccc(C#N)cc2)o1 1118430623 VIAGVGMAVDXBOR-CYBMUJFWSA-N 267.332 3.902 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)s2)Cc2ccccc21 768194585 BUEBTBBSGZEKBP-LBPRGKRZSA-N 268.385 3.739 30 20 CHED Sc1nnc(-c2ccccc2)n1N=C[C@@H]1C[C@H]2CC[C@H]1C2 762418678 RHASVNYSWQGMRJ-UBHSHLNASA-N 298.415 3.504 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)cc1)C1CCCCCC1 1435845993 IFLZALUQVJPSOG-CYBMUJFWSA-N 270.376 3.647 30 20 CHED CC(C)(C#N)OC(=O)c1ccc2c(c1)-c1ccccc1C2 779226393 PBDMIEZALADUHH-UHFFFAOYSA-N 277.323 3.717 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(C#N)c(F)c1 776726896 PTYZLPVSQOBTFX-PLNGDYQASA-N 271.316 3.963 30 20 CHED CC(C)(C#N)CCOC(=O)CCSc1ccc(F)cc1 776366155 YIDVIMJGLORNGX-UHFFFAOYSA-N 295.379 3.791 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 777910486 BUPIWMDPODTSKK-WEVVVXLNSA-N 285.274 3.938 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=S)Nc1ccccc1 779728640 VGKUVNNBHXIGFV-LBPRGKRZSA-N 297.383 3.786 30 20 CHED N#CCc1ccc(COC(=O)C[C@H]2C=CCCC2)cc1 777770277 FLAIINCWWBEPNM-HNNXBMFYSA-N 269.344 3.542 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ccc3[nH]ncc3c2)o1 779820002 AELJKOGMOQMLGF-IINYFYTJSA-N 280.331 3.725 30 20 CHED C=C(CC)COC(=O)c1cc(F)c(Cl)nc1Cl 773506389 OMFUAZMHWGVOFY-UHFFFAOYSA-N 278.110 3.651 30 20 CHED C[C@H](N[C@H](C)COc1ccccc1)c1cccc(C#N)c1 776158363 FPMBHZSKQJPGSO-CABCVRRESA-N 280.371 3.676 30 20 CHED C=CCCCCNC(=O)C(F)(F)c1cccc(Cl)c1 770082590 NIRYYVWWUHWGFI-UHFFFAOYSA-N 287.737 3.904 30 20 CHED CC(C[C@H]1CCOC1)=NN[C@H](Cc1ccccc1)C(C)C 777447091 DFVFKMNEHCEWLW-QZTJIDSGSA-N 288.435 3.646 30 20 CHED C=CCN(CC=C)[C@@H](CNC(=O)/C(C)=C(/C)CC)C(C)C 780939879 KNMHXMHCGXXCMX-BHWVZIDZSA-N 292.467 3.548 30 20 CHED Cc1cccc(OCCCNc2nc(C)cc(C)c2C#N)c1 784201516 ZUUURBZYPAFQET-UHFFFAOYSA-N 295.386 3.760 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1C[C@H]1c1cccc(F)c1 788318032 LKRBIIPGYHRJQC-VRRLJYGRSA-N 285.318 3.515 30 20 CHED Brc1ccccc1CCCON=C1CCC1 784051152 NRKDULMNPJRPMX-UHFFFAOYSA-N 282.181 3.938 30 20 CHED C=C(Br)COc1ccc(C(=O)CC)cc1 37681487 JOAPCGPLMHJWPM-UHFFFAOYSA-N 269.138 3.567 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(F)c1 1129459335 IAVXQKVREBDTGG-BXUZGUMPSA-N 274.339 3.852 30 20 CHED C=CCCC(=O)OCc1cc(Br)ccc1C 784315164 RMRBBYVVDTZOMK-UHFFFAOYSA-N 283.165 3.767 30 20 CHED Fc1ccc(Br)cc1C=NNC1CCCCC1 786042201 MTLXMRFFBROYCM-UHFFFAOYSA-N 299.187 3.844 30 20 CHED C=C1CC(c2noc(C3CC(OCc4ccccc4)C3)n2)C1 896882011 GXOMZLCRASVUIK-UHFFFAOYSA-N 296.370 3.966 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccnc(Cl)c1 782193743 HQIGVZZUCVLTBW-SNAWJCMRSA-N 287.746 3.948 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cnn(C2CCC2)c1 899356660 PDXXQFQBDASHKF-WAYWQWQTSA-N 272.373 3.874 30 20 CHED Cc1ccc(N(C)Cc2ccc(C#N)s2)c(C)c1 780894784 SAZCLPPENOVZBT-UHFFFAOYSA-N 256.374 3.873 30 20 CHED Cc1ccc2c(c1)CCCN2Cc1cc(C#N)cs1 780767147 PTXWHEJZDKLUCU-UHFFFAOYSA-N 268.385 3.881 30 20 CHED CCCC[C@@H]1CCCC1=NNCCc1ccccn1 789103278 RQLMPKYONRUKGL-CQSZACIVSA-N 259.397 3.560 30 20 CHED N#Cc1ccncc1NCCC1CCC(F)(F)CC1 897248739 ZMXKELCXOCUUCC-UHFFFAOYSA-N 265.307 3.581 30 20 CHED COCCN(C)N=C(C)c1cc2c(ccc3ccccc32)o1 794967968 MMIKPNSUDSTDGE-UHFFFAOYSA-N 296.370 3.888 30 20 CHED CCCCS[C@H](C)C(=O)Nc1cc(C#N)ccc1F 891447601 BQDIKGBFPQPCQR-SNVBAGLBSA-N 280.368 3.558 30 20 CHED Fc1ccc(C=NOCc2cnc3ccccc3c2)cc1 799175213 WZZXFDCLHGFATB-UHFFFAOYSA-N 280.302 3.925 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)Cc1ccccc1F 1205493704 KWAGCCRUQKYEBD-UHFFFAOYSA-N 286.325 3.859 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(C)c1snc(C)c1C#N 891427089 YAFHHZFHUOUUNE-RYUDHWBXSA-N 291.420 3.502 30 20 CHED CSCCON=Cc1cc(C)c(C)cc1OC(F)F 794571553 BMYUMZBJEGSRQL-UHFFFAOYSA-N 289.347 3.618 30 20 CHED C=CCCCCC[C@@H](C)NCc1nncn1-c1ccccc1 793523498 IMQNZLIFOVRWIR-MRXNPFEDSA-N 298.434 3.882 30 20 CHED Cc1ccc(C(=O)N(Cc2cccs2)C(C)C)cc1C#N 799305531 XHGAWKQXEIFWDQ-UHFFFAOYSA-N 298.411 3.979 30 20 CHED Cc1ccc(C(=O)N2CCc3ccc(Cl)cc32)cc1C#N 799323630 VCJUARPESQBGMT-UHFFFAOYSA-N 296.757 3.723 30 20 CHED Cc1cccnc1NN=Cc1ccc(C(F)(F)F)cc1 790187098 UEYNEYDIZQYBDY-UHFFFAOYSA-N 279.265 3.855 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCCC2)c1cscn1 792885876 JKIMNSCHPVUZSU-VURMDHGXSA-N 269.369 3.918 30 20 CHED CC(C)O[C@H](C=NNc1cccc(F)n1)c1ccccc1 793053754 PGJSYHQUFVWHJM-CQSZACIVSA-N 287.338 3.785 30 20 CHED Clc1ccn2c(C=NOC3CCCC3)c(Cl)nc2c1 794922289 PVLHORQCAAJUKC-UHFFFAOYSA-N 298.173 3.934 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N(CCC#N)CC1CC1 567944564 QWAFYGSCLQFUQG-HNNXBMFYSA-N 276.424 3.911 30 20 CHED C=CCCOC(=O)C(C)(C)c1ccccc1Br 798730609 YMFHJOFBFIQXEG-UHFFFAOYSA-N 297.192 3.846 30 20 CHED CCC(=NNc1c(C)cccc1CC)[C@@H]1CCOC1 799494323 HUCQOEVKKGFBBN-CQSZACIVSA-N 260.381 3.772 30 20 CHED CC(=O)c1ccc(OC(=O)c2ccc(C)c(C#N)c2)c(C)c1 799330687 SCKZTXPSLLEXAW-UHFFFAOYSA-N 293.322 3.597 30 20 CHED C[C@@H](OC(=O)c1ccoc1C1CC1)c1cccc(C#N)c1 798706168 COMFEOMUSBZQHZ-LLVKDONJSA-N 281.311 3.947 30 20 CHED N#Cc1ccc(F)c(COC(=O)CC2CCCCC2)c1 797324395 YYKIYADVEQYUOR-UHFFFAOYSA-N 275.323 3.711 30 20 CHED CC1(O)CCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1 795797367 DACUYYQOFCMPEY-CUYAVPTFSA-N 298.430 3.609 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C1CCC(F)(F)CC1 695739195 RSUJPUVAMBRUDC-UHFFFAOYSA-N 298.720 3.976 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)Nc1cccc(C#N)c1 1308656293 KQUNZWBCCCBHEK-GUYCJALGSA-N 266.344 3.746 30 20 CHED C[C@@H]1C[C@H](Nc2cncc(C#N)n2)C[C@@H](c2ccccc2)C1 1163494631 QKVMCWPMYMZIRG-BPUTZDHNSA-N 292.386 3.733 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc2ncsc2c1 1319203495 GASCMICBKMTSKN-UHFFFAOYSA-N 292.363 3.677 30 20 CHED C[C@H]1CC[C@@H](C=NNc2ccc(C(C)(C)C)nn2)C1 1327101254 IBYWWBOIPBREAI-NWDGAFQWSA-N 260.385 3.608 30 20 CHED Cc1oc(C#N)cc1C(=O)NC(C)(C)C1CCCCC1 1326942530 FJDLFWTVIREKKT-UHFFFAOYSA-N 274.364 3.548 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1ccc(C#N)s1 1329471298 ZJOIRHFTVDVAAH-ZDUSSCGKSA-N 269.341 3.581 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1329990210 ZRQQLAXEPNYDCE-HUUCEWRRSA-N 290.382 3.624 30 20 CHED CC(C)[C@H](C=NOC(C)(C)C)CNC(=O)OC(C)(C)C 1326865078 YPFHGOYAAKCGHP-LBPRGKRZSA-N 286.416 3.584 30 20 CHED COc1cc(/C=C2/Cc3ccc(C#N)cc3C2=O)ccc1F 1324221349 UTBPAZNTWLBJIZ-NSIKDUERSA-N 293.297 3.528 30 20 CHED C=CCC1(NCc2cccc3ccoc23)CCOCC1 1330767423 RGRCQBBBDJQDJA-UHFFFAOYSA-N 271.360 3.648 30 20 CHED C=CCC[C@H]1CCCN1c1nnc([C@H]2CC=CCC2)n1C 1339648631 UALWLVXOZHWEJO-GJZGRUSLSA-N 286.423 3.574 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 1339281690 XTVRWXPVPFULIV-SECBINFHSA-N 287.190 3.892 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccc(OC)c(Cl)c1 1337266646 DEDZOUKEUVUBQK-UHFFFAOYSA-N 281.783 3.663 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@@H]1c1ccncc1)c1ccccc1 1347290727 PRUSHUDAFJHVBD-QZTJIDSGSA-N 292.382 3.715 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)C1 1343401319 VYPBNACURHZDPR-FIQHERPVSA-N 289.297 3.591 30 20 CHED C/C=C(/C)C(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1348799229 PMWMOOZSMJXQHF-XILQUFHOSA-N 263.362 3.848 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H]1c1ccccc1 1346250064 FCCBYWJCLFCSGM-INIZCTEOSA-N 257.377 3.952 30 20 CHED C[C@H](OC1CCCCC1)C(=O)O[C@@H](CC#N)c1ccco1 1347948485 IGWQNKCSJUPPJO-WFASDCNBSA-N 291.347 3.515 30 20 CHED CCCCCCCCC(=O)NCc1cccc(C#N)c1 106324155 NHOXWMKQPBIXPZ-UHFFFAOYSA-N 272.392 3.925 30 20 CHED N#CCc1cccc(NC(=O)C/C=C\c2ccc(F)cc2)c1 1436285568 UVECYWYIAINXCO-IHWYPQMZSA-N 294.329 3.934 30 20 CHED C=C(CC)C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F 1351421796 RJJHWUQKHJYFPE-UHFFFAOYSA-N 289.272 3.683 30 20 CHED C/C(=C/c1ccccc1)CN(C)C(=O)c1ccsc1C#N 1515964053 LCNGETICDJCDIT-RAXLEYEMSA-N 296.395 3.795 30 20 CHED C[C@H](Nc1cncc(C#N)n1)c1cccc(Cl)c1Cl 1458205823 XIFKISFEMCNHKY-QMMMGPOBSA-N 293.157 3.828 30 20 CHED CC(C)c1occc1C(=O)Nc1ccc(C#N)c(F)c1 336189410 UBTBCLAVQSMZDU-UHFFFAOYSA-N 272.279 3.666 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2cc(C#N)ccc2F)cc1 1526277961 SIKQZSYASCAKAN-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED CCc1ncc(CN(CC(C)C)c2ccc(C#N)cc2)o1 1459723929 WYPQJRRZOXDDAQ-UHFFFAOYSA-N 283.375 3.771 30 20 CHED CC1(C)C[C@]1(C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 1528079453 BLDORUJEXLWRHK-SIXWZSSISA-N 297.398 3.980 30 20 CHED C[C@@H]1CCCC[C@H]1NC1CCN(c2ccccc2C#N)CC1 1462483715 JNUJJABVSUMOMR-CRAIPNDOSA-N 297.446 3.695 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1465889052 IUNNGHTZFABNOD-DZGCQCFKSA-N 291.782 3.768 30 20 CHED COc1ccc(C#N)cc1NCCc1cccc(Cl)c1 1462070389 KDCHDDAYKROMCH-UHFFFAOYSA-N 286.762 3.875 30 20 CHED Cc1scc(COC(=O)c2ccc(C#N)s2)c1C 1532093219 RNXGLVYKHILYNL-UHFFFAOYSA-N 277.370 3.655 30 20 CHED CCC(CC)NN=C1CCC[C@H](CCCC(=O)O)C1 1609917080 HTJVIIBSTIRKKM-GFCCVEGCSA-N 268.401 3.566 30 20 CHED C=CCCCN[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1 1609329393 WVWGWAUZSQYDHI-LBPRGKRZSA-N 288.174 3.675 30 20 CHED C=CCN(Cc1ccc(C2(C(=O)O)CC2)cc1)C(C)(C)C 1602893808 LLXJHHBKANIXPT-UHFFFAOYSA-N 287.403 3.589 30 20 CHED C[C@H](NCc1cc(O)ccc1Cl)c1cccc(C#N)c1 1473786902 RKHRTBQIAPXRSF-NSHDSACASA-N 286.762 3.768 30 20 CHED CC[C@H]1CCCC[C@@H]1CNc1snc(C)c1C#N 1612432660 MZYOXKMGVDXWDW-NWDGAFQWSA-N 263.410 3.952 30 20 CHED C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2F)c2ccccc21 1625454757 DPODQXRQFMMMTL-LLVKDONJSA-N 295.317 3.853 30 20 CHED CN(CCC#N)C(=O)CCCSc1ccc(Cl)cc1 60617562 OWUWSYLEANFUOI-UHFFFAOYSA-N 296.823 3.584 30 20 CHED C[C@H](CSC(F)(F)F)C(=O)O[C@@H]1CCC[C@H](C#N)C1 1583566568 XAHQTLYMMAXIMB-KXUCPTDWSA-N 295.326 3.501 30 20 CHED CCCCc1cc(N[C@H](C)c2ccc(C#N)cc2)ncn1 1651434227 RRRJGWRTSUSXND-CYBMUJFWSA-N 280.375 3.864 30 20 CHED C#CC[C@H](N[C@H](C)c1cc(C(=O)O)cs1)c1ccccc1 1588421802 OKSPZWSCLFECRL-DOMZBBRYSA-N 299.395 3.862 30 20 CHED C[C@@H]1N(c2cccc(C#N)n2)c2ccccc2C1(C)C 1652043458 HLKCYTBYMICTFI-LBPRGKRZSA-N 263.344 3.771 30 20 CHED Cc1cccc([C@H](C)CNC(=O)Nc2sccc2C#N)c1 1663160181 XDNQJYOZMYUXEZ-GFCCVEGCSA-N 299.399 3.853 30 20 CHED CN(C(=O)c1cccc(Cl)c1F)c1ccc(C#N)cc1 124763646 OUUXAJJTBFEWSU-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C[C@H](NC(=O)NCC1C(C)(C)C1(C)C)c1ccc(C#N)cc1 1677826671 YBZKQLAWQIOCBT-LBPRGKRZSA-N 299.418 3.601 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)[C@@H]1CC1(C)C 1776013081 GIJQXQPCIWXUDH-LBPRGKRZSA-N 260.337 3.609 30 20 CHED Cc1c(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)cccc1C(=O)O 1776086080 ARZHSJGYRVEWES-QMTHXVAHSA-N 298.342 3.856 30 20 CHED Cc1ccc(C[C@@H](C)Nc2nccc(C)c2C#N)s1 135081079 UZAIUTQDGZSFJP-LLVKDONJSA-N 271.389 3.675 30 20 CHED CC(C)(C)CN(CCC#N)CC[C@H]1CC1(Cl)Cl 822635285 VAZWIZMPIWJFDU-NSHDSACASA-N 277.239 3.832 30 20 CHED N#CCOc1cc(F)ccc1NCc1cccc(F)c1F 150769494 HYGCDTVQVRIZHV-UHFFFAOYSA-N 292.260 3.618 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 161629460 FWUKMWVIYLIQPI-WMZOPIPTSA-N 284.403 3.731 30 20 CHED CCC[C@H](C(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 160450703 CRNORFYPOQHLEU-HOCLYGCPSA-N 272.392 3.578 30 20 CHED N#CCC[C@H](NC(=O)N1CCC2(CCC2)C1)c1ccccc1 151331960 GQHZPFJLDKLBDP-INIZCTEOSA-N 297.402 3.617 30 20 CHED C=C(C)CN1CCC(N[C@@H](Cc2ccccc2)C2CC2)CC1 152943036 QXZVEGDYPGSJNX-FQEVSTJZSA-N 298.474 3.638 30 20 CHED COC(=O)N(C)c1ccc(NCC(C)(C)CCC#N)cc1 157414494 YKSAQCCRHXVTGT-UHFFFAOYSA-N 289.379 3.631 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cnn(-c2ccccc2)c1C 156943244 ANYCPQLBVBDKQM-UHFFFAOYSA-N 298.390 3.611 30 20 CHED C[C@H]1CCC[C@H](C)C1Nc1ccc(OCC#N)cc1 20126420 UEFGDYUDSOZVOH-STQMWFEESA-N 258.365 3.826 30 20 CHED CCn1cc(Cl)cc1C(=O)N(CCC#N)C(C)(C)CC 904677754 PNZSRASUXFOSHM-UHFFFAOYSA-N 295.814 3.706 30 20 CHED C#Cc1ccc(CNc2cccc(OC(F)F)c2)cc1 809596605 LMXDOYVQVPHESC-UHFFFAOYSA-N 273.282 3.881 30 20 CHED C#Cc1ccc(CNC[C@H]2CCCCC2(F)F)cc1 824542783 AZPIBLPKJGTZIC-OAHLLOKOSA-N 263.331 3.583 30 20 CHED N#Cc1cc(N2C[C@H]3CCC[C@H]3C2)ccc1C(F)(F)F 158140368 NIQKHEAOVQQOPV-PHIMTYICSA-N 280.293 3.813 30 20 CHED C[C@@H]1CCCC[C@H]1CNCc1cc(C#N)ccc1F 42862858 CPRCWWDNSHDKFL-OCCSQVGLSA-N 260.356 3.613 30 20 CHED CN(C)c1ccc(CNc2ccc(Cl)c(C#N)c2)cc1 36972884 DEGFNTHSDHDPBH-UHFFFAOYSA-N 285.778 3.890 30 20 CHED C[C@@H](NC1CCCCCC1)c1ccc(OCC#N)cc1 37218300 OTXXDYMAAFIXAY-CQSZACIVSA-N 272.392 3.962 30 20 CHED C[C@@H]1CCC[C@H]1Nc1c(C#N)cnc2ccccc12 71208334 RQCGJBVQNDIHMZ-BXUZGUMPSA-N 251.333 3.707 30 20 CHED N#Cc1ccc(N2CCC(C(F)F)CC2)c(Cl)c1 307886917 VYSHZDPZCRCDOJ-UHFFFAOYSA-N 270.710 3.693 30 20 CHED C=CCC(C)(C)CNC1CCN(Cc2ccccc2)CC1 310358050 SNUBJWAEJHFBDR-UHFFFAOYSA-N 286.463 3.843 30 20 CHED COc1ccccc1COc1cc(Cl)cc(C#N)c1 312037419 ZOPVLUJECKJEEN-UHFFFAOYSA-N 273.719 3.799 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(Cl)c1 355095754 BVDKZBOOEHHVCR-SWLSCSKDSA-N 260.768 3.586 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc2ccsc12 335745668 SYGCOIHHAMNHLA-AWEZNQCLSA-N 258.346 3.780 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 378847413 TXYJAVNMRCWVGB-HZPDHXFCSA-N 254.377 3.569 30 20 CHED C=C(Br)CNC[C@@H](CC)c1ccccc1 379968584 ACXNPKVTHTTZRB-GFCCVEGCSA-N 268.198 3.678 30 20 CHED C=C(C)CN(CC)Cc1ccc2oc(C(=O)O)cc2c1 382527169 HPGRBPDCMFNWQA-UHFFFAOYSA-N 273.332 3.529 30 20 CHED C(=NOCc1ccccc1)c1cccc2cc[nH]c12 814792588 QLONAFAKMRAQAK-UHFFFAOYSA-N 250.301 3.719 30 20 CHED Cc1ccc(NC(=S)Nc2cccc(C#N)c2)cc1C 6329242 LVQCWFPZPQBEHJ-UHFFFAOYSA-N 281.384 3.984 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)Nc1ncccc1C#N 52325157 FSTQDBMZPYOEDG-CYBMUJFWSA-N 281.359 3.914 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 343019881 FUBIFOUUZTZHJN-SOUVJXGZSA-N 276.424 3.601 30 20 CHED N#Cc1ccc(CNCCc2c[nH]c3cc(F)ccc23)cc1 51189344 UUDTYXQALXNCFL-UHFFFAOYSA-N 293.345 3.511 30 20 CHED CC(C)(C#N)NC(=O)CC(c1ccccc1)c1ccccc1 57605911 SPQCQDCSXIYGLO-UHFFFAOYSA-N 292.382 3.627 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)CC(C)(C)C 55891243 GFRZKXDZOILKHL-UHFFFAOYSA-N 275.392 3.646 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 23164332 GXTSIQRWIVFTRP-MDZDMXLPSA-N 267.284 3.799 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(OC)cs1 176885661 DPHUKYYHJHBXLU-UHFFFAOYSA-N 267.394 3.575 30 20 CHED CCN(CCC#N)C(=O)C[C@@H](c1ccccc1)C(C)C 103210031 YMPPAAPGQPWWSN-MRXNPFEDSA-N 272.392 3.578 30 20 CHED COC(=O)CSCc1ccc(-c2ccccc2C#N)cc1 22415800 NCZXCLXYHXYYIS-UHFFFAOYSA-N 297.379 3.631 30 20 CHED CCOc1ccccc1COc1ccc(C#N)cc1 58857688 PLHSPIVWONGNKP-UHFFFAOYSA-N 253.301 3.536 30 20 CHED Cc1cnc([C@H](NCc2cc(C#N)cs2)C2CC2)s1 177706231 ITDZJZQNDXWTDU-CYBMUJFWSA-N 289.429 3.626 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C1CCCCC1 104542740 PGEUICZJZRQKRL-UHFFFAOYSA-N 264.413 3.745 30 20 CHED N#CCCCOc1cccc(NC(=O)CCc2ccoc2)c1 177158150 ASMGHFMSFCCMGU-UHFFFAOYSA-N 298.342 3.533 30 20 CHED C=CCCOC(=O)c1csc(-c2ccccc2)n1 103650192 UCOPHYYNYPEWSP-UHFFFAOYSA-N 259.330 3.543 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)CC1 114822192 OKKYDRKERBWGFN-QGZVFWFLSA-N 299.418 3.526 30 20 CHED CCN(CC)C(=S)S[C@H](C#N)C1CCCCC1 115185051 FLOKMWQPEQKTKI-GFCCVEGCSA-N 270.467 3.819 30 20 CHED C=CCN(CCCc1ccncc1)Cc1ccccc1 347367212 UBBFUHKVGMMIIT-UHFFFAOYSA-N 266.388 3.702 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 69358851 OVXJCNRJGQBEMZ-ZIAGYGMSSA-N 291.391 3.784 30 20 CHED CC(C)CCN(c1ccc(Cl)c(C#N)n1)C1CC1 301523792 MLTJCASVDWCALZ-UHFFFAOYSA-N 263.772 3.622 30 20 CHED CC(C)(C#N)CCCNC1(c2ccccc2F)CC1 179644960 ATJOSZLQBKHASN-UHFFFAOYSA-N 260.356 3.734 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 173194214 JVNHVFOBGAFONM-OAHLLOKOSA-N 297.402 3.633 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](SC)c1ccccc1 172370650 LNNWFSMSYQNHIQ-CQSZACIVSA-N 263.406 3.515 30 20 CHED N#CCCCOc1cccc(CN2Cc3ccccc3C2)c1 119953532 JCZLWGKRVRAADT-UHFFFAOYSA-N 292.382 3.885 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)N(C)Cc1cccc(C#N)c1 175831026 NOVOBXBAWJZVQB-KBPBESRZSA-N 299.418 3.524 30 20 CHED C[C@@H](OC(=O)c1ccnc(Cl)c1)c1ccc(C#N)cc1 175769484 BRCDXNHIZQJTKH-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C[C@H](CC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 177570297 UUUSWPVBVHVHSF-GFCCVEGCSA-N 282.318 3.830 30 20 CHED N#Cc1ccc2nc(NC3Cc4ccccc4C3)ccc2c1 302130975 BHJUZLURKDAQPZ-UHFFFAOYSA-N 285.350 3.686 30 20 CHED N#Cc1cccc(N2CCC(Cc3cccc(F)c3)CC2)n1 301248401 AFJAOMUISIBNJZ-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H]1c1cccc(C)c1C 174089540 NWMOOAIYNCXXLO-QGZVFWFLSA-N 284.403 3.563 30 20 CHED C=CCCC[C@H](C)N[C@H]1CCc2c(cccc2OC)C1 426064805 WGACFMQROSFFOR-HOCLYGCPSA-N 273.420 3.887 30 20 CHED C[C@H](CNc1ccc(F)cc1C#N)Oc1ccc(F)cc1 301431210 FXZQGZFKVLFYTE-LLVKDONJSA-N 288.297 3.716 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl 125295965 GETUKHOYYWRCMU-UONOGXRCSA-N 275.779 3.644 30 20 CHED C[C@@H](Nc1nccc(C#N)c1Cl)C1CCCCC1 235284473 WWWYFQCCYCTFBN-SNVBAGLBSA-N 263.772 3.987 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2ccccc2C1 188309596 QGTPPLZTYNFHQI-QGZVFWFLSA-N 257.377 3.564 30 20 CHED C=CCNc1ccccc1C(=O)Nc1ccc(OC)cc1 38207219 UYYIBEJSKDUTKB-UHFFFAOYSA-N 282.343 3.545 30 20 CHED C=CCCOCCNC(=O)Nc1c(CC)cccc1CC 122332732 ZGFZLEPTOGPYQN-UHFFFAOYSA-N 290.407 3.526 30 20 CHED Cc1cc(C#N)ccc1Oc1ncc(Cl)cc1[N+](=O)[O-] 153667848 DVONBEJYBZEWSV-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(-c2ccccc2)c1 126904726 OLDRPZOSTQKQNG-UHFFFAOYSA-N 281.359 3.579 30 20 CHED C=CCc1cc(CN2CCC[C@@H](CC)C2)cc(OC)c1O 509546870 WPRAXTLYEGWVAM-CQSZACIVSA-N 289.419 3.751 30 20 CHED C=CCC(CC=C)C(=O)NCCCN(C)C1CCCCC1 122436174 PHMNYCCHEOCACV-UHFFFAOYSA-N 292.467 3.526 30 20 CHED CCN(C(=O)C[C@@H]1C=CCCC1)c1ccc(C#N)cc1 188295838 YATRGQHOOYUYQU-CQSZACIVSA-N 268.360 3.658 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@@H]1C 416121772 WLUMEONVNZVNCX-MCIONIFRSA-N 284.403 3.604 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1OC(C)(C)C 181727339 SLPCJEKKCRZADF-UHFFFAOYSA-N 276.380 3.904 30 20 CHED CC[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(C#N)cc1 414135204 DKLWGGYVMGXCMX-SJCJKPOMSA-N 283.350 3.894 30 20 CHED C=CCCCOc1cccc(I)c1 70592615 MYBCQZWGVLDFSD-UHFFFAOYSA-N 288.128 3.636 30 20 CHED CCCCN(C(=O)c1cccc(CC#N)c1)[C@H](C)CC 78842932 NZDMRLOYKJNYQJ-CQSZACIVSA-N 272.392 3.793 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(-c2ccccc2)no1 489442285 SPPFXHIQIVAHDZ-HNNXBMFYSA-N 268.360 3.882 30 20 CHED C=CCCCC(=O)Nc1cccc(CCN2CCCC2)c1 180229731 ZTKOECSBPOYRQK-UHFFFAOYSA-N 286.419 3.620 30 20 CHED COc1cccc(CSc2snc(Cl)c2C#N)c1 181005919 AWTNYMUDCLFQKY-UHFFFAOYSA-N 296.804 3.969 30 20 CHED CCC[C@H](NC(=O)[C@H](C)SCCC#N)c1ccccc1 413016600 WMTNZCFUNBUQMB-ZFWWWQNUSA-N 290.432 3.679 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](O)c1ccc(Cl)cc1 120465230 MBFSEKZHTZVDLP-ZOWXZIJZSA-N 267.800 3.564 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 410123948 VBGHPXDTNKLQJE-CHWSQXEVSA-N 295.810 3.887 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 131793469 JXBRPZHHLYXVGT-HNNXBMFYSA-N 271.364 3.601 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 500115377 LMFDXJZATTZQDC-VIFPVBQESA-N 297.742 3.724 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC(C)C)cc1F 185351206 YPIDPTSIDUOWCX-UHFFFAOYSA-N 277.339 3.745 30 20 CHED Cc1cn2c(/C=C\C(=O)c3ccco3)c(C)nc2s1 214109657 DMRJZJRIFVDICM-WAYWQWQTSA-N 272.329 3.502 30 20 CHED CSCC(=O)Nc1sc2c(c1C#N)[C@H](C)C[C@H](C)C2 410995971 DKJBLCXPBSFHQW-DTWKUNHWSA-N 294.445 3.607 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 504655629 SGGGTWCWCPRASX-FYNNLBNCSA-N 295.386 3.504 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)CCCc1ccccc1 180148296 BYKKOYNLJQWHQZ-CRAIPNDOSA-N 286.419 3.700 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)Nc1ccc(C#N)cc1 522962407 CLWFTLORFLYTDC-GFCCVEGCSA-N 273.380 3.895 30 20 CHED Cc1nc(C#N)c(C#N)n1Cc1ccc(-c2ccccc2)cc1 135474232 UCLDRXLMQUXPTL-UHFFFAOYSA-N 298.349 3.650 30 20 CHED O/C(CC/N=C(/O)C1CCSCC1)=N/C1CCCCC1 329457199 QNZXNXCFTNMKLY-UHFFFAOYSA-N 298.452 3.765 30 20 CHED CCN(CCC#N)C(=O)C1CCC(c2ccccc2)CC1 84408804 QWWHWCISBIEPCF-UHFFFAOYSA-N 284.403 3.723 30 20 CHED CC(C)CC(CC(C)C)NC(=O)c1cccc(C#N)c1 504621782 QGKYIUQWIKTAGZ-UHFFFAOYSA-N 272.392 3.749 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccnn1C(C)(C)C 190601591 HAQJCZBHBUPVRP-UHFFFAOYSA-N 292.427 3.848 30 20 CHED CCn1c(-c2ccc(OC)cc2)nc2cc(C#N)ccc21 86635470 CFTKDVDVGXUSRL-UHFFFAOYSA-N 277.327 3.603 30 20 CHED C=CCCCNC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C 507456348 QBIHJOVKVFNCRO-MLGOLLRUSA-N 292.810 3.841 30 20 CHED Cc1nc(CC(C)C)c(N=C(O)[C@@H]2[C@H]3CCCO[C@H]32)s1 329522053 QZCOIOMRWPGYBQ-RAIGVLPGSA-N 294.420 3.663 30 20 CHED CCN(Cc1ccc(Br)cc1F)C[C@H](C)C#N 42287667 OIWJJVDBQPKINI-SNVBAGLBSA-N 299.187 3.570 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C#N)o1 80339491 KBRRIUUURYORTA-PIGZYNQJSA-N 284.334 3.704 30 20 CHED Cc1cc([C@@H](C)NCc2cccc(C#N)c2)ccc1F 610583455 NAQCRRTZQJLFGY-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2cnn(CC)c2c1 191165020 SCXGSSZTDCYTKQ-INIZCTEOSA-N 271.364 3.597 30 20 CHED C#CCN(C)C(=O)c1ccc(SCc2ccccc2)cc1 191116587 PVRXQQUBRCNIII-UHFFFAOYSA-N 295.407 3.684 30 20 CHED COc1cccc(C(=O)/C=C/c2cccc(OC)c2F)c1 195501879 PEOSYUCMYKEOQY-MDZDMXLPSA-N 286.302 3.739 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cnn(-c3ccccc3F)c2)C1 193103558 KOURDMZVAHIQJU-OLZOCXBDSA-N 284.338 3.506 30 20 CHED CCc1nc(C)c(CN(C)[C@H](C)c2cccc(C#N)c2)o1 425538399 RUMVIZDMMWJZDX-CYBMUJFWSA-N 283.375 3.610 30 20 CHED C=CCCCCNC/C=C\c1ccc(F)c(F)c1 511925227 HCZZUFDNUBFCRF-SREVYHEPSA-N 251.320 3.924 30 20 CHED Cc1nc(C2CC2)oc1C(O)=Nc1c(C)noc1C1CC1 329831940 TUVBYVUVUBAVQI-UHFFFAOYSA-N 287.319 3.671 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2N[C@@H]2CC[C@H](C#N)C2)cc1 424320269 FYZGOKGWRJHQLL-RANZSIQMSA-N 268.404 3.913 30 20 CHED CCCCCCC[S@@](=O)Cc1cn2ccccc2n1 133749441 UZTWWANUINVAMW-IBGZPJMESA-N 278.421 3.553 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c(Cl)c1 335085826 OAHZRDIFVJGBIP-VXGBXAGGSA-N 294.757 3.873 30 20 CHED N#Cc1cc(F)ccc1COc1ccc([C@H]2CCOC2)cc1 190281844 GOZZMKKHKAQGGZ-HNNXBMFYSA-N 297.329 3.780 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1O[C@@H](C)C[C@@H]1C 330181031 NSKKKZWOGRQPQN-XMZIXOGTSA-N 299.374 3.787 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2cc(C#N)cs2)c1C 84112044 ABJZDYWOAAMKRV-GFCCVEGCSA-N 284.384 3.728 30 20 CHED C=CCC[C@@H](CC)NCCCc1nc2ccccc2n1C 90050557 SIXKLQAECYMJJK-OAHLLOKOSA-N 285.435 3.840 30 20 CHED Cc1cnc(N/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 330010123 GSCCCJLJUPRQLR-YNEHKIRRSA-N 277.368 3.668 30 20 CHED N#Cc1ccc(OC/C=C\c2ccccc2)cc1F 143992532 SEFVOWIDJMMRBT-DAXSKMNVSA-N 253.276 3.790 30 20 CHED C=C(C)CN(CC)C(=O)CSc1ccc(C)cc1C 97603221 WHZLNJWEVXMPAA-UHFFFAOYSA-N 277.433 3.820 30 20 CHED C[C@@H]1CCC[C@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 339994829 NYJSXLRIZZSQDN-PVAVHDDUSA-N 284.403 3.626 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1(C)CCCC1 335134849 ULHXODCKLIATFY-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N[C@@](C)(C#N)C(C)C 513451533 HZNPCRBWZLBPSO-HOCLYGCPSA-N 264.413 3.647 30 20 CHED C[C@@H]1C[C@H](CC/N=C(/O)NC(C)(C)CC(C)(C)C)CCO1 330812528 KUDWEPNXSYRTSW-ZIAGYGMSSA-N 298.471 3.910 30 20 CHED COc1ccc(Cl)c(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)c1 331285094 MWRYUZOZXHFZKV-NXEZZACHSA-N 282.771 3.863 30 20 CHED CC(C)c1ccc(/C(O)=N/[C@@H]2CCOC(C)(C)C2)c(O)c1 331227779 DSHQHAWBHXQGSM-CYBMUJFWSA-N 291.391 3.778 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(N2CCCCCC2)c1 334764455 LEUDFTXJJGKXQK-KDOFPFPSSA-N 297.402 3.555 30 20 CHED C[C@@H](C(=O)N1CC[C@H]1c1ccccc1)c1cccc(C#N)c1 336524643 WVOIDLNPQYYPRB-KDOFPFPSSA-N 290.366 3.635 30 20 CHED C=CCC[C@H](CCC)N[C@H]1C[C@@H](OCC)C12CCOCC2 248621799 AVHBWRJDTGYKBH-YESZJQIVSA-N 295.467 3.685 30 20 CHED CC/C=C\CCn1cc(C#N)c(=O)c2cc(Cl)ccc21 341569944 UDVABAPMAGCJQQ-ARJAWSKDSA-N 286.762 3.883 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 246566275 LDDCUGYJLDOBMN-BFYDXBDKSA-N 270.376 3.584 30 20 CHED CCCCCCCC(=O)NC[C@@H]1COc2ccccc2C1 248264626 NTLCFVXDJBNNAY-OAHLLOKOSA-N 289.419 3.714 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 345431273 ISGBTNIKXFPVNM-ONGXEEELSA-N 294.301 3.534 30 20 CHED N#Cc1cccnc1N1CCCC[C@@H]1c1ccc(F)cc1F 432055090 OQMIRWNHHOVJEW-MRXNPFEDSA-N 299.324 3.963 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 245757080 OWYORRDPOSIGBV-CVEARBPZSA-N 286.419 3.990 30 20 CHED C=CCC[C@@H](NC(=O)c1cncc(C)c1)c1ccccc1 435280816 UJPMCVLTKZEQHW-QGZVFWFLSA-N 280.371 3.827 30 20 CHED Cc1cccc(C)c1NC(=O)NCCc1cccc(C#N)c1 342216618 GRGSOOCKROTDCN-UHFFFAOYSA-N 293.370 3.539 30 20 CHED COc1ccc(CN2C[C@H](C)CCC[C@H]2C)cc1C#N 340204260 LENBXQNWHHLMPE-ZIAGYGMSSA-N 272.392 3.577 30 20 CHED C=CCOCc1nc(-c2c(Cl)cccc2Cl)no1 520276877 CXIAATBCJHMONV-UHFFFAOYSA-N 285.130 3.746 30 20 CHED CC(C)(C)C1CCC(CC(=O)NCCCC#N)CC1 342663525 ZOLSPOZLQLPVJP-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C=C(C)CNC(C)(C)c1nc(C(F)(F)F)cs1 348512552 HJQDDAHZBOWWKG-UHFFFAOYSA-N 264.316 3.563 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1c(F)cc(F)cc1F 349486892 KSROCOZYIHQROQ-UHFFFAOYSA-N 299.296 3.555 30 20 CHED C[C@@H]1CCN(CCOc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 603846870 FPDNGWGJTWDOCG-AYOQOUSVSA-N 298.430 3.838 30 20 CHED CC(C)(CCC#N)CNCc1cc2cc(F)ccc2o1 342295684 QIEZFIRFRBJYHC-UHFFFAOYSA-N 274.339 3.991 30 20 CHED N#CCCCOc1cccc(CN2CCC[C@@H]2C(F)F)c1 348832955 KTTMUVPRZJKJIV-OAHLLOKOSA-N 294.345 3.599 30 20 CHED C=CCCSCc1cc(Cl)c2c(c1)OCCO2 523522109 WDEGMLSXBMVKAL-UHFFFAOYSA-N 270.781 3.921 30 20 CHED CC(C)Cc1ncc(CNCCc2cccc(C#N)c2)s1 341476277 GKNMYDQJSJXZJR-UHFFFAOYSA-N 299.443 3.546 30 20 CHED Cc1cc2cc(C(=O)/C=C\c3cnn(C)c3)oc2cc1C 255325098 CHJSNRUYKHNIEV-PLNGDYQASA-N 280.327 3.679 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1 255513123 QWXSRUQARAYEBD-HJWRWDBZSA-N 269.325 3.524 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1CCOC2(CCC2)C1 449189126 OYIZDWCOCHZHHX-CABCVRRESA-N 251.414 3.813 30 20 CHED C=CCC1(C(=O)Nc2ccc(CC#N)cc2)CCCC1 449159094 XKNBVAGJZBFWLD-UHFFFAOYSA-N 268.360 3.828 30 20 CHED CCCCOCCCN[C@@H](CC)c1ccc(C#N)cc1 447514045 AOBFCKGAZJRYBA-KRWDZBQOSA-N 274.408 3.806 30 20 CHED CSCc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1 440052997 QLQBJSVWNXHDMZ-UHFFFAOYSA-N 296.395 3.698 30 20 CHED CCCc1ccc(C(=O)N(CC#N)C2CCCC2)s1 601205766 GPNGIKJDEIENSI-UHFFFAOYSA-N 276.405 3.609 30 20 CHED CC1CCN(C2CCC(NC[C@@H](C)CCC#N)CC2)CC1 602581704 KJLMDXKQENLWJU-AOCRQIFASA-N 291.483 3.559 30 20 CHED C#CC[C@H](OC(=O)/C=C\c1nc2ccccc2s1)C1CC1 255844168 PUHQYZZCLVRRNX-BMSUMIBZSA-N 297.379 3.655 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@]1(C)CCC[C@@H]1C 448822488 KQYGJTMBRIHIAF-LRDDRELGSA-N 256.349 3.632 30 20 CHED CC(C)c1cnc(NC(=O)c2ccccc2CC#N)s1 601251482 XHQYUSOPFGGGHA-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C=CCOc1ccc(C(=O)Nc2ncc(Cl)s2)cc1 607952138 VDYSNUWFXSKHRE-UHFFFAOYSA-N 294.763 3.614 30 20 CHED CC(C)(C#N)CCCCN(C#N)c1ccc(F)cc1 440591136 YDGVPHLUAOTXIB-UHFFFAOYSA-N 259.328 3.833 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCc3ccccc32)CC1 353887017 FXOANYZJZGPJCM-OAHLLOKOSA-N 255.361 3.537 30 20 CHED CCC[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 353766854 JGWTUALCEVQMBK-GFCCVEGCSA-N 290.794 3.864 30 20 CHED C=CC[C@H](CO)CN[C@H](c1ccc(F)cc1)C1CCCC1 539293960 FZQQGTCDPYGRRE-KSSFIOAISA-N 291.410 3.831 30 20 CHED COCCN(Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 351590538 WLJPKGNHDFZFSU-MRXNPFEDSA-N 294.398 3.768 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1C[C@@H](C)C[C@H](C)C1 355488285 VYQLMUICVHGSNS-RYUDHWBXSA-N 286.375 3.578 30 20 CHED C=CCCCN1CC[C@@H](C(=O)OCC)c2ccccc21 444709391 QTLNLOXIGPCYKT-OAHLLOKOSA-N 273.376 3.510 30 20 CHED CC[C@@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 267504719 HBRSXYVSFBHADA-ZFWWWQNUSA-N 272.392 3.625 30 20 CHED C[C@H](CSc1cccc(C#N)n1)c1ccccc1 530532807 FSCMAVDUUSUIPU-GFCCVEGCSA-N 254.358 3.849 30 20 CHED CC(C)(C#N)CNC(=O)N[C@H](CC1CCC1)c1ccccc1 354904750 BFHKWAWMBPDNSF-MRXNPFEDSA-N 299.418 3.767 30 20 CHED C=CCN(C(=O)c1ccc(C)c2ccccc12)[C@H](C)COC 617585072 STJLMFNXTUYNBM-OAHLLOKOSA-N 297.398 3.811 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 448572625 MSMWSOLOZBVUOM-BLVKFPJESA-N 288.350 3.746 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(N(C)C)cc1 355528795 NNSPSWMPLKPQBG-UHFFFAOYSA-N 294.398 3.581 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H](C)CCC)c1ccccc1 535373809 ZBWJIBHWAJVJLQ-LSDHHAIUSA-N 259.393 3.993 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)cc1 537230568 NEEDACJQPPLMPL-NSHDSACASA-N 251.757 3.815 30 20 CHED CC1(C#N)CN(C(=O)c2ccc(C(C)(C)C)c(Cl)c2)C1 356102877 CRGGRIGZVNRHMK-UHFFFAOYSA-N 290.794 3.623 30 20 CHED C=CCOCCCSCc1cccc(C#N)c1F 359152056 HXMOPQWMELEZID-UHFFFAOYSA-N 265.353 3.523 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N[C@H](CCCC#N)c1ccccc1 352173919 HXAQCTQRXQPVPL-LZLYRXPVSA-N 284.403 3.974 30 20 CHED N#Cc1ccccc1/C=C\c1ccc2cccc(O)c2n1 533701823 AQZHRJRDEDJOHP-NTMALXAHSA-N 272.307 3.982 30 20 CHED CC(C)c1cnc(S[C@H](C#N)Cc2ccccc2)n1C 610480671 LPQNHIQMZJLQTH-AWEZNQCLSA-N 285.416 3.770 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2CCO[C@@H](C(C)C)C2)C1 617782075 XXRQMYIAWCHQSO-IXDOHACOSA-N 293.451 3.642 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1cccc(Cl)c1Cl 449891869 MHOJVCPMHNKFQJ-ITMYJUKJSA-N 297.185 3.720 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)c(F)cc2F)C1 617782411 FHILPVWYSJJCAU-GFCCVEGCSA-N 279.330 3.702 30 20 CHED CC(C)(C)C1CCC(CC(=O)N2CC[C@](F)(C#N)C2)CC1 615579923 IZXDECNGGHNDIB-KVULBXGLSA-N 294.414 3.693 30 20 CHED C=CCc1ccccc1OCCc1c(C)noc1C 358683163 CPWHWIOBTLAXBI-UHFFFAOYSA-N 257.333 3.641 30 20 CHED CCC[C@H](NC(=O)[C@@H](C)ON=C1CCC1)c1ccccc1 267457216 SEDZBWFNLYYAIE-CJNGLKHVSA-N 288.391 3.589 30 20 CHED C=CCn1c(C)nnc1SC[C@@H](C)CC(C)C 538570463 UOEUADHJNPPCOC-NSHDSACASA-N 253.415 3.547 30 20 CHED C=CCC1(C(=O)N[C@H](C)CC(F)(F)F)CCCCC1 450643987 CHIFEEGKEQTTDG-LLVKDONJSA-N 277.330 3.970 30 20 CHED Cc1ccc(OC[C@H](C#N)CCC#N)c2ccccc12 453046890 YSGNCABVRHEKNL-AWEZNQCLSA-N 264.328 3.971 30 20 CHED C=CCC[C@H](Nc1ncc([N+](=O)[O-])c(C)n1)c1ccccc1 450395084 TZSQHEKAOCWEHW-AWEZNQCLSA-N 298.346 3.813 30 20 CHED C=CCC1(C(=O)NCC#Cc2cccc(F)c2)CCCCC1 451500331 GDEAQHGVXFOXRB-UHFFFAOYSA-N 299.389 3.820 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccccc2OC2CC2)C1 617778463 HAQUVEIMELKKKY-AWEZNQCLSA-N 285.387 3.656 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@@H]1CCCCC1(C)C 611029858 LNKKEWCFBBKQEY-AWEZNQCLSA-N 264.413 3.744 30 20 CHED C=CCCCC(=O)N1Cc2sccc2CC1(C)C 457323491 YPJLWOZULYBQJP-UHFFFAOYSA-N 263.406 3.768 30 20 CHED CCSCc1ccc(NC(=O)C2(C#N)CCCC2)cc1 456473343 NSFOFPBUTKFONP-UHFFFAOYSA-N 288.416 3.962 30 20 CHED C=CCC[C@H](C)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273495029 XMRKKEZXDTYQLM-RRQGHBQHSA-N 277.383 3.990 30 20 CHED N#Cc1ccc(NC(=O)Cc2ccc(Cl)s2)cc1F 362300203 KPHSBDKMEUUMBZ-UHFFFAOYSA-N 294.738 3.593 30 20 CHED C[C@H](C#N)CN(C)Cc1c(Cl)cccc1N1CCCC1 271700229 CNYKJMGKTDWJTF-CYBMUJFWSA-N 291.826 3.532 30 20 CHED C=CCCN(C)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 451059234 IEOPZVPRJGHTGN-HZPDHXFCSA-N 257.377 3.605 30 20 CHED N#Cc1ccc(N2CCC(c3c(F)cccc3F)CC2)cn1 362678670 CFZYSBKKPVMSGQ-UHFFFAOYSA-N 299.324 3.615 30 20 CHED COc1nccc2cc(NCCC(C)(C)C#N)ccc12 453142609 MGDLIBAMZQLGOF-UHFFFAOYSA-N 269.348 3.595 30 20 CHED C=C(C)CCN[C@H](CCCOC)c1ccc(F)cc1 453320140 OHPLLOABXUFLRN-MRXNPFEDSA-N 265.372 3.849 30 20 CHED Cc1ccnc(N2CCC(OC3CCCCC3)CC2)c1C#N 273306179 HRVHKMHRNLPQFH-UHFFFAOYSA-N 299.418 3.580 30 20 CHED CS[C@@H](CNc1nc2c(cc1C#N)CCC2)C(C)(C)C 544065836 XBBPDFXGSFMNSQ-AWEZNQCLSA-N 289.448 3.632 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC1CC(C)(C)C1 548374443 AAVRVQAOAFLNSG-UHFFFAOYSA-N 292.448 3.882 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c(Cl)ccc(F)c1C 279223860 ODNIGOIABJYQFT-JTQLQIEISA-N 285.746 3.707 30 20 CHED C=CCN(C(=O)c1cc(F)c(C)cc1F)C(C)(C)C 622944033 BIELUPNWKOMRDR-UHFFFAOYSA-N 267.319 3.700 30 20 CHED C=CC1CCN(C(=O)NCc2cc(Cl)ccc2C)CC1 467100490 MHQMGGQPIYSGSD-UHFFFAOYSA-N 292.810 3.756 30 20 CHED C=CCOCCCC(=O)N[C@H]1CCC[C@H](C(C)C)CC1 469753483 RRHKHVPBALXEFE-HOTGVXAUSA-N 281.440 3.690 30 20 CHED Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1F 461746036 NPDYNLFLUDSSGS-GFCCVEGCSA-N 282.318 3.748 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](OCC2CC2)C1 372297993 XBRLEYXONFVMRW-KBXCAEBGSA-N 284.403 3.510 30 20 CHED CO[C@@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)CC1 374649810 URDNONRTLLBYHO-GFCCVEGCSA-N 298.308 3.582 30 20 CHED C=CCCC(C)(C)NC(=O)c1[nH]c(C)c(C(C)=O)c1CC 620861430 PVLRJWJZJZOKAS-UHFFFAOYSA-N 290.407 3.563 30 20 CHED C=CCCCCCN(C)c1nnc(C(C)C)n1CC 558843289 IQIAOMAPCJLBIV-UHFFFAOYSA-N 264.417 3.604 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCN(C)c2ccc(Cl)cc21 467990895 RHBFMWDXPVPLPS-INIZCTEOSA-N 292.810 3.725 30 20 CHED C=CCC(C)(C)C(=O)NC1CC(C)(c2ccccc2)C1 550382038 SRAVAENVJBPVQO-UHFFFAOYSA-N 271.404 3.825 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)Nc1cc(C#N)ccn1 552957634 DULNKTDPSWOUAD-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[C@@H]1C 466712141 WMHKLQZKOVWHBV-KBPBESRZSA-N 292.448 3.882 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC=C(C)CC1 460380605 OBHPAYBXFFDTIU-UHFFFAOYSA-N 288.439 3.599 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2ccc(F)cc2)CCCCC1 465153577 WMYJWOVSHGLPJX-CYBMUJFWSA-N 275.367 3.718 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 286276092 WTXOWLFICJMQIR-KZNAEPCWSA-N 281.399 3.585 30 20 CHED C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 280636933 XYLYTRRRHXDNSB-ZIAGYGMSSA-N 284.403 3.891 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N(C)c1ccc(C#N)cc1 559713749 VUIVWVTXIGESOY-QGZVFWFLSA-N 292.382 3.790 30 20 CHED C=C(C)CN(CC)C(=O)c1c(-c2ccccc2C)noc1C 280392981 VCAIXJYDJZZCRR-UHFFFAOYSA-N 298.386 3.997 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2occ(C)c2c1 286191171 VNGVMMKGZQJUEF-HNNXBMFYSA-N 256.305 3.620 30 20 CHED CCOC1CC2(CCN([C@@H](C)c3ccc(C#N)cc3)C2)C1 285598094 WLSSCJHTDRUPKC-NNGSBXSVSA-N 284.403 3.510 30 20 CHED C=CCCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 280106855 XORGGLZTQKSPIB-UKRRQHHQSA-N 261.340 3.544 30 20 CHED CC(C)[C@H](C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 470190481 MWKIOJMRCQWYTJ-CBCUQQMYSA-N 278.440 3.893 30 20 CHED C=CCC[C@@H](N[C@H]1CCN(C2CCCC2)C1)c1ccco1 552045790 PBWVELAZOVMXBQ-DOTOQJQBSA-N 288.435 3.893 30 20 CHED C#C[C@@H](N[C@H](C)CCc1n[nH]c2ccccc12)C(C)(C)C 809781452 RMNKEQPEGYAIBR-CXAGYDPISA-N 283.419 3.522 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H]1CCCCc2ccccc21 477007799 VOUULQNJPIZGGW-CJNGLKHVSA-N 289.444 3.878 30 20 CHED CC(C)c1ccc2occ(C(=O)N(C)[C@@H](C)C#N)c2c1 297900392 QEXCTUOLKITGNC-NSHDSACASA-N 270.332 3.540 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1cc(F)ncc1F 807979543 ARECMJOFIQKBSH-UHFFFAOYSA-N 298.296 3.662 30 20 CHED COc1ccc(CN(C(=O)CCCC#N)C(C)(C)C)cc1 292384943 RBRCITJPHVMMEE-UHFFFAOYSA-N 288.391 3.516 30 20 CHED C=CCCN(C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 801948048 MXOFJEOICXMUEL-OAHLLOKOSA-N 296.455 3.532 30 20 CHED Cc1cc(NC(=O)c2ccc(C(C)C)s2)ncc1C#N 567121807 QFVBAAPKTJXZER-UHFFFAOYSA-N 285.372 3.699 30 20 CHED C=CCCCCSc1n[nH]c(=NCc2ccco2)s1 564531732 ALKYGUBLUKODMI-UHFFFAOYSA-N 295.433 3.614 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(F)ncc2F)cc1C 806565305 JXIQNRXXEUUNAG-AATRIKPKSA-N 273.282 3.873 30 20 CHED C=C(C)[C@@H](NCCC1CCOCC1)c1ccc(F)c(F)c1 292944445 NRCZAEOATOQRNA-QGZVFWFLSA-N 295.373 3.988 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCC#N 292463804 YBVCWHIXWBELSS-DLBZAZTESA-N 284.403 3.865 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC12CCCC2 474276760 XQPVGSLOYMWDBA-KRWDZBQOSA-N 296.414 3.876 30 20 CHED C=C(CNC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 805250610 UTCNDJTZXXKFDJ-JLHYYAGUSA-N 293.366 3.538 30 20 CHED C=C(C)[C@@H](NC(=O)NCC(C)(C)C)c1ccc(F)c(F)c1 476858017 LLDFWKNUEBCFCY-CQSZACIVSA-N 296.361 3.927 30 20 CHED C#C[C@@H](NCc1cc(C)c2ncccc2c1)C(C)(C)C 809781156 HWHOCARWZHAWOJ-MRXNPFEDSA-N 266.388 3.681 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C)n(C2CCCCC2)n1 295269345 ARLIBAAFOORASM-UHFFFAOYSA-N 275.396 3.847 30 20 CHED C=CCCCCNCc1cc2cc(Cl)cnc2o1 648525442 VMZHVCVXDBTJAJ-UHFFFAOYSA-N 264.756 3.927 30 20 CHED C=C(CN[C@@H](C(=O)OCC)c1ccccc1)c1ccccc1 487901893 WWKWYQNJYNHMMP-GOSISDBHSA-N 295.382 3.594 30 20 CHED COc1cc(Cl)c(C)cc1NC[C@H](C#N)CCC#N 564857166 JHTJENBNOZOFLG-NSHDSACASA-N 277.755 3.512 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CCC[C@H]1F)c1ccccc1 565622403 WMAUQEXGJMUMDW-XHSDSOJGSA-N 275.367 3.743 30 20 CHED CC(C)CO[C@@H]1CC(=NN[C@@H](C)c2ccncc2)C1(C)C 819815286 OQMOERYRYRXHOT-XJKSGUPXSA-N 289.423 3.559 30 20 CHED C=C(C)CSc1nc(C(F)(F)F)ccc1C#N 488785197 RTUHUQBRBFLFAB-UHFFFAOYSA-N 258.268 3.640 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1nccn1C(C)C 657496023 NDEJETLWKRGWKJ-QGZVFWFLSA-N 283.419 3.741 30 20 CHED CC1(C)CCC(C=NNC[C@H]2CCSC2)CC1 811660602 QTPZSTQAYBRFTO-CYBMUJFWSA-N 254.443 3.531 30 20 CHED N#Cc1c(F)cccc1/C=C1\C(=O)Nc2cc(Cl)ccc21 811684883 DUBWMVXVNWLEPF-SDQBBNPISA-N 298.704 3.843 30 20 CHED C=CCOCCCOc1cc(F)c(C)cc1Cl 575354726 IGCVTYJRWVQAEA-UHFFFAOYSA-N 258.720 3.759 30 20 CHED C=CCC(F)(F)C(=O)NCCc1ccc2ccccc2c1 815004879 DLJCVQBCVDBBIS-UHFFFAOYSA-N 289.325 3.710 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCc3cscc3C)c2c1 487764080 SVVKVTKLLWZOAD-UHFFFAOYSA-N 293.395 3.819 30 20 CHED C=C(C)[C@H](CC(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C)OCC 482681884 JPKBOBMTZIKBSW-FZKCQIBNSA-N 281.440 3.546 30 20 CHED Cc1cccc2c1[C@@H](OC(=O)c1ccc(C#N)s1)CCO2 814029463 UOZRJZRFJYLAHG-ZDUSSCGKSA-N 299.351 3.609 30 20 CHED CC#CCCNC1CC(c2ccc(C(F)(F)F)cc2)C1 482163018 JMQFCJHQROHOMM-UHFFFAOYSA-N 281.321 3.954 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1c(F)cc(F)cc1F 815649074 GXRPPTOVKVTRHI-NXEZZACHSA-N 257.299 3.794 30 20 CHED c1ccc2c(NN=C3CC[C@H]3C3CCC3)cnnc2c1 814849229 NAHQVPMSABXHJV-LBPRGKRZSA-N 266.348 3.608 30 20 CHED CCC(=NNc1cc(Cl)ccn1)c1cccc(N)c1 814898623 QQJCQTUJGNRBOD-UHFFFAOYSA-N 274.755 3.543 30 20 CHED FC(F)(F)Oc1ccc(C=NOC/C=C/Cl)cc1 811669338 DIFJCZMKRWCMKQ-BHJCGQKCSA-N 279.645 3.688 30 20 CHED CC(=NN[C@H](C)COc1ccccc1)c1cc(C)oc1C 811665577 QRCUEZUTZLIXTL-GFCCVEGCSA-N 286.375 3.678 30 20 CHED COc1cccc(NN=Cc2cccc3cccnc23)c1 818268135 CPAYXGQLGCDZBC-UHFFFAOYSA-N 277.327 3.689 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)[C@H](C)c1ccccc1 819816207 HCPWIRDCTCZHHB-ZFWWWQNUSA-N 267.376 3.912 30 20 CHED COc1ccc(C[C@H](C)C=NOC/C=C/Cl)cc1F 811671851 LBVOAIQDPMRQSB-VDXAYXCASA-N 285.746 3.768 30 20 CHED CC(Cc1ccsc1)=NNCc1cc(F)ccc1F 729637188 IEUMOPLIVQZKJH-UHFFFAOYSA-N 280.343 3.735 30 20 CHED CCC[C@@H](CCc1ccccc1)NC(=O)[C@@](C)(C#N)CC 573011517 BSWAVWCAGYBLOT-FUHWJXTLSA-N 286.419 3.844 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](c1cccs1)C(C)(C)CO 824469357 YJJQCCOWVCBXJU-WFASDCNBSA-N 295.448 3.526 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)Cc1ccccn1 658049903 ZKZFTCSWLTYTAY-INMHGKMJSA-N 258.409 3.737 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@H](C)C[C@@H](C)C1 570027038 MPDVNSIUXLIWFL-HUUCEWRRSA-N 290.455 3.535 30 20 CHED C=CCCCCCSCc1cccc(C(=O)OC)n1 578390557 WQPITFUBOHTEHF-UHFFFAOYSA-N 279.405 3.848 30 20 CHED CCc1ccc([C@@H](C)C(=O)OCc2cccc(C#N)c2)cc1 727916387 JCXXYEIUCFZZQJ-CQSZACIVSA-N 293.366 3.968 30 20 CHED Cc1nsc(NCC[C@]2(C)CC2(Cl)Cl)c1C#N 829062848 JMDWRKTZHXEZHH-SNVBAGLBSA-N 290.219 3.709 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](CC)OCC)c1ccccc1 665772767 NSKRPZXXZLLWRK-HZPDHXFCSA-N 275.392 3.625 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](O)c1c(F)cccc1F 823925452 XSYFXDCLPRMZQZ-IUODEOHRSA-N 283.362 3.723 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(CF)cc1 826555642 UOERQYHHBJSTCU-UHFFFAOYSA-N 290.382 3.948 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(OCCF)c1 666335596 NWRCOJVSVUNOMR-UHFFFAOYSA-N 294.370 3.901 30 20 CHED C=CCCNC(=O)Nc1ccc(Br)cc1CC 666355666 MLWLEBDECSWACK-UHFFFAOYSA-N 297.196 3.709 30 20 CHED CC#CCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 498605752 USZGPVYCOSIMGZ-STQMWFEESA-N 296.197 3.627 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2ccncc2)c1 588386328 FZAJVMCYLAKPAD-SREVYHEPSA-N 267.328 3.767 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)/C=C\c1ccc2ccccc2n1 588470678 IMDJPZFMIURPCD-BLIJAFNYSA-N 294.354 3.729 30 20 CHED N#Cc1ccc(OC(=O)/C=C\Sc2ccccc2)cc1 727864785 BPCFWSFSOMPXCR-KHPPLWFESA-N 281.336 3.770 30 20 CHED CCOCc1cccc(N=Cc2c(O)cccc2OC)c1 726429929 UEGRMBFDOLNHHQ-UHFFFAOYSA-N 285.343 3.688 30 20 CHED C#Cc1cnc(N[C@H](C)c2ccc(SCC)cc2)nc1 827557498 NXPNHKPSNLDPCP-GFCCVEGCSA-N 283.400 3.743 30 20 CHED Cc1ccc(C[C@@H](C#N)SCc2ccncc2)cc1 901622653 DVBZZNDYHPUSGU-INIZCTEOSA-N 268.385 3.758 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(C2CC2)c1 582416969 UPRHLDKLPVSDFU-GDZNZVCISA-N 297.402 3.616 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(F)cc(C(C)=O)c(F)c1F 904132010 QCQKMKRWYXBCNR-SECBINFHSA-N 299.292 3.847 30 20 CHED CC[C@H](N[C@@H](CC)C1CCOCC1)c1cccc(C#N)c1 902829982 IILVFJFXUCIXRS-ROUUACIJSA-N 286.419 3.804 30 20 CHED CC(C)c1cccc(N[C@@H](C(=O)O)c2ccc(C#N)cc2)c1 736521208 LZCHAAHAYIIPFG-QGZVFWFLSA-N 294.354 3.919 30 20 CHED CC1(C)CCC(c2noc(C3(C#N)CCC3)n2)CC1 589155646 MVGILHAGABMCKT-UHFFFAOYSA-N 259.353 3.699 30 20 CHED CC(C)(C)[C@H]1CCC1=NNc1ccc(C(=O)O)c(F)c1 835009720 YZEFDHNQDBJFKS-NSHDSACASA-N 278.327 3.748 30 20 CHED C/C(=C(\F)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CC1 900608859 QBAPTULZTQNUFH-FYQHACEVSA-N 292.741 3.674 30 20 CHED C=CCCCN(Cc1ccccc1OC)C[C@@H]1CCCO1 583464447 SFCAOPKAFOCLLB-KRWDZBQOSA-N 289.419 3.642 30 20 CHED CCn1cncc1/C=C\C(=O)c1ccc(C(C)C)cc1 901437937 MFANKJCVEVRCQP-KTKRTIGZSA-N 268.360 3.923 30 20 CHED COc1ccccc1/C=C1/Cc2ccc(C)cc2C1=O 730949367 UQKAIEKEXWCLLY-PTNGSMBKSA-N 264.324 3.826 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(O)c2ccsc2c1 836829478 YCSHQRICBCHYDE-UHFFFAOYSA-N 275.373 3.549 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)c1ccsc1 834948450 MVFNSGIVNGJJAO-UHFFFAOYSA-N 288.376 3.957 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)c1ccc(CC)cc1 589898565 FFOPQPZFRLQZLS-CQSZACIVSA-N 257.377 3.553 30 20 CHED C#CCCCCCc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 834849651 DRPFOHXUKURUMG-UHFFFAOYSA-N 299.330 3.689 30 20 CHED COc1ccc(CC(C)=NOCc2ccccc2)cc1OC 839419877 UBGUVSBNALIMBE-UHFFFAOYSA-N 299.370 3.839 30 20 CHED C=CCCCC[C@H](C)N[C@H](CO)c1ccc(F)cc1F 668757117 ZBYRDHKHUWZXST-BLLLJJGKSA-N 283.362 3.723 30 20 CHED C=CCONC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 838707100 GPMIDHAVBIUUNP-INIZCTEOSA-N 299.374 3.522 30 20 CHED CCc1cccc2c1OC/C(=C\c1ncc(C)s1)C2=O 834441305 GKLMKKFRIPNLSJ-KPKJPENVSA-N 285.368 3.673 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 835038294 VHOOAZGCZWRUSW-FPQZTECRSA-N 276.405 3.700 30 20 CHED COc1ccc2c(c1)[C@H](NCC1(C#N)CC1)CCCS2 903106881 XUBZESIIPFPYED-CQSZACIVSA-N 288.416 3.516 30 20 CHED C#CCOc1ccccc1CNCc1cccc(C)c1C 734159121 GXXIVHCAQLTKBC-UHFFFAOYSA-N 279.383 3.605 30 20 CHED CC(C)Oc1ccccc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839049422 JAYVEWKAOPNBCS-KGLIPLIRSA-N 287.359 3.713 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)c2cccc(C#N)n2)cc1 837070574 WVHUKUQXIMJONK-UHFFFAOYSA-N 293.370 3.565 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(C#N)cc1 583586485 VKBVLUPNYXAALW-CQSZACIVSA-N 278.355 3.999 30 20 CHED CSCc1c(C(=O)O[C@@H](C)CC#N)oc2ccccc12 733710630 FRHMBPIDTDHIEB-JTQLQIEISA-N 289.356 3.755 30 20 CHED N#CCCCCCC(=O)Nc1ccc2ncccc2c1 588156522 ZKJDXBWISLBVHW-UHFFFAOYSA-N 267.332 3.647 30 20 CHED CC(CCC1CC1)=NNc1ccc(C(=O)O)c(F)c1 835008159 BYTKYBPZFQXXHQ-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CC(=NNc1nncc2ccccc12)c1cccc(F)c1 915909927 VBNNCUVUBIXKOT-UHFFFAOYSA-N 280.306 3.605 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)/C=C/c1cnn(C)c1 917873011 UKOGNPYEBAWCPZ-AUECHBEKSA-N 291.439 3.546 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc2c(c1)OCO2 916346861 YOERKRFEMITCFY-UHFFFAOYSA-N 282.343 3.868 30 20 CHED Cc1cnccc1C=NN[C@H](Cc1ccccc1)C(C)C 834971987 JBRZVDWYQLDKQO-GOSISDBHSA-N 281.403 3.581 30 20 CHED CC(C)C#CC(=O)N1CCC(c2cccc(Cl)c2)CC1 834853053 WYRYMDKGGIYYTN-UHFFFAOYSA-N 289.806 3.705 30 20 CHED CO[C@@]1(C)CC(=NNc2nccc3sccc23)C1(C)C 746565684 QWJNABUYQIVNPZ-HNNXBMFYSA-N 289.404 3.899 30 20 CHED C#CCN(CC)C(=O)CC(c1ccccc1)c1ccccc1 919876832 RZTOIEKRGCQXOF-UHFFFAOYSA-N 291.394 3.690 30 20 CHED C#CC[C@@H](Cc1ccccc1)OC(=O)CC1CC(F)(F)C1 835403238 HBMXATAMNKVTEV-HNNXBMFYSA-N 292.325 3.600 30 20 CHED CCc1ccc(C2CCN(C[C@H](C#N)CCC#N)CC2)cc1 599668089 CBGNVMDQKUDOQY-KRWDZBQOSA-N 295.430 3.872 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 593453912 SAGIJMQTNGJCLR-QWHCGFSZSA-N 290.432 3.914 30 20 CHED C=CCCSCCNC(=S)Nc1ccc(C)c(C)c1 849278309 WPNLIEACTYHVJK-UHFFFAOYSA-N 294.489 3.899 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1ccnc(C(C)(C)C)n1 591830887 YIKPYXJPJMKJLG-CYBMUJFWSA-N 294.402 3.843 30 20 CHED C[C@@H]1CC[C@@H](C/N=C/c2c(O)ccc3ccccc23)O1 840710776 SAICPYMPXGJODV-XAXRJAIVSA-N 269.344 3.532 30 20 CHED C=CCSc1ccccc1C(=O)N(CC)CCSC 592744969 VWGRZHQEFFZUDS-UHFFFAOYSA-N 295.473 3.790 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc2c1OCC2 593934246 RNHBZQKCGHVLRJ-KRWDZBQOSA-N 290.366 3.983 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)[C@H]1C[C@H]2C=C[C@H]1CC2 842535060 BOIVEPRXXSNWBL-NOOOWODRSA-N 260.303 3.505 30 20 CHED C=CCN(C(=O)NC1CCC(CCC)CC1)C(C)C 919915294 BTDVSMUETOWYQE-UHFFFAOYSA-N 266.429 3.951 30 20 CHED C=CCOCC(=O)Nc1ccc(Oc2ccccc2)cc1C 596897569 SJGAIOMVYYSJLA-UHFFFAOYSA-N 297.354 3.928 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2cccc(OC)c2o1 678895602 QLOBROPLFGQGLX-GFCCVEGCSA-N 287.359 3.916 30 20 CHED C#CCN1CCC(COc2cc(Cl)cc(Cl)c2)CC1 741794851 MHCKPGKVBNKXJU-UHFFFAOYSA-N 298.213 3.717 30 20 CHED CCC[C@@]1(C)CCCN(Cc2ccc(OCC#N)cc2)C1 743872292 MIZQVUWJSVBENY-SFHVURJKSA-N 286.419 3.991 30 20 CHED Cc1ccc(CC(=NNc2ccc(C)nn2)C2CC2)cc1 741842208 HMYIGAFIUPVJEU-UHFFFAOYSA-N 280.375 3.514 30 20 CHED CCCCCCCCN1CCC[C@H](c2ncc[nH]2)C1 746454275 SNVKFUGHZPCHCW-HNNXBMFYSA-N 263.429 3.950 30 20 CHED O=C1/C(=C/c2ccc(OC(F)F)cc2)Oc2ccccc21 742436815 NZDCERHVWXEQFT-ZROIWOOFSA-N 288.249 3.904 30 20 CHED Cc1ccc(OC(F)F)c(CN2CCC[C@@H](CC#N)C2)c1 595623583 UKTSWPAFCWAYSW-ZDUSSCGKSA-N 294.345 3.722 30 20 CHED CCN(Cc1cc(Cl)sc1Cl)[C@H](C)C#N 595817447 JAZMANDQTMBSGZ-SSDOTTSWSA-N 263.193 3.789 30 20 CHED CCCCCOc1ccc(C(C)=NNc2cnccn2)cc1 912962015 QXUDCIMGUKGKNE-UHFFFAOYSA-N 298.390 3.882 30 20 CHED CC(C)CCOc1ccccc1NC(=O)c1cc(C#N)c[nH]1 594382843 PVIRXBDMIMJZQG-UHFFFAOYSA-N 297.358 3.564 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(C2CC2)CC1 590008706 VQHXTQFCTGHUTD-CYBMUJFWSA-N 254.377 3.741 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)CCCO2 840784461 ABNKNLGUDSEABX-INIZCTEOSA-N 286.419 3.992 30 20 CHED CSc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(C)o1 597259156 XYIOWPQIWQMQBD-BMIGLBTASA-N 292.404 3.512 30 20 CHED COc1cccc(/C=N/CCc2cc(C)cc(C)c2)c1O 740763612 MOHNDMDWVHHBFR-XDHOZWIPSA-N 283.371 3.679 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C\c2cccc(O)c2O)C1 749007563 JGARPOQEJJTIQR-BPWNKSKLSA-N 279.405 3.581 30 20 CHED CCC1(C/N=C\c2cc(Cl)cc(Cl)c2O)COC1 840710123 PNPQKPXWFZYGBI-BNCCVWRVSA-N 288.174 3.545 30 20 CHED C=C[C@H](C)ONC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 845635122 FBPHNPYZAIYSDJ-KBPBESRZSA-N 288.391 3.503 30 20 CHED CC(CC1CCCC1)=NNc1nnc(-c2ccccc2)n1C 752728333 ZGBGVAYNMDPHDR-UHFFFAOYSA-N 297.406 3.850 30 20 CHED Cc1cccc2cc(C(=O)O[C@H](C)C(C)(C)C#N)oc12 753605812 BJMFBEANHKZFDE-LLVKDONJSA-N 271.316 3.836 30 20 CHED C=CC[C@H](NC(=O)CC(CC)CC)c1ccncc1 759218036 IXDQAVOPLDHCNA-HNNXBMFYSA-N 260.381 3.641 30 20 CHED CC(=NNc1ncc(Cl)cn1)[C@H]1CCCC[C@H]1C 857221173 SJWVKIMNMBOSEM-SKDRFNHKSA-N 266.776 3.744 30 20 CHED CC1(CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CC1 759488583 VNLWLXBKILHEMA-SNVBAGLBSA-N 288.347 3.802 30 20 CHED C=CCC[C@H](C)OC(=O)CCc1cccnc1Cl 850116810 YIPDCJXMCHRLHN-NSHDSACASA-N 267.756 3.566 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1ccc(Cl)s1 851205254 YBHQQTMSKXCLLA-VIFPVBQESA-N 285.796 3.816 30 20 CHED C#CC[C@@H](Nc1ccnc(Cl)c1)c1ccccc1 756957674 ZCPHYWWDXJAGMF-CQSZACIVSA-N 256.736 3.912 30 20 CHED C#CCCCC(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 758063077 PEFRFMNKAHGVMS-GFCCVEGCSA-N 297.320 3.729 30 20 CHED C=C(CN[C@H](CCCN)c1ccccc1)c1ccccc1 925636743 UINCTJMZKIWOSQ-LJQANCHMSA-N 280.415 3.770 30 20 CHED C#CCCCOC(=O)/C=C(\C)c1ccccc1OC(F)F 753400465 NYZJRMDQWPPCRN-VAWYXSNFSA-N 294.297 3.648 30 20 CHED C#C[C@@H](CC)NC(=O)c1sccc1-c1ccc(C)cc1 754393866 LRTPZKSIWOMNEL-AWEZNQCLSA-N 283.396 3.865 30 20 CHED CC(=NOCC(F)F)C12CC3CC(CC(C3)C1)C2 758899281 IBGMNWBXNUQIAQ-UHFFFAOYSA-N 257.324 3.860 30 20 CHED C=CCc1cc(OC)cc(CN(C)[C@@H](C)C2(C)CC2)c1O 754740466 SIPPSCWYQMLOCK-ZDUSSCGKSA-N 289.419 3.750 30 20 CHED Cn1c(NN=C[C@@H]2CCc3ccccc32)nc2ccccc21 755647730 DDHJWGDCFIVFRA-AWEZNQCLSA-N 290.370 3.701 30 20 CHED N#Cc1cccc(SC[C@H]2CC2(Cl)Cl)c1 759048866 PDGHICLSZDVSDB-SECBINFHSA-N 258.173 3.844 30 20 CHED C[C@H]1C[C@H]1C=NNc1ncc(C(F)(F)F)cc1Cl 758359751 RFTXCTANPBQHLD-BQBZGAKWSA-N 277.677 3.808 30 20 CHED CC(=NN=C1CC[C@@H](C)c2ccccc21)c1cnccn1 752730839 FXLMRZSDVCQLEW-GFCCVEGCSA-N 278.359 3.587 30 20 CHED CC[C@@H](C)c1ccc(C(C)=NNc2cncnc2)cc1 863112477 UCKZUFDVSDWAFS-GFCCVEGCSA-N 268.364 3.826 30 20 CHED Cc1cncc(C(=O)/C=C\c2cc(C)ccc2C)c1 767365946 IAOZFJJLVKTKDH-SREVYHEPSA-N 251.329 3.903 30 20 CHED CCC(=NNc1ncnc2ccsc12)c1cccs1 764841245 NZSCQFCCPQPJLR-UHFFFAOYSA-N 288.401 3.979 30 20 CHED CC(C)n1cc(/C=C2\Cc3ccc(Cl)cc3C2=O)cn1 762448696 XSWZYBCKVZAJIX-WLRTZDKTSA-N 286.762 3.940 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@H]1CCCCC1(F)F 860199861 JTQCFPOIDLIUNH-LLVKDONJSA-N 273.323 3.685 30 20 CHED Cc1cccc(Cl)c1NC(=O)[C@@H](C)SCCC#N 865370267 KJGPEHQGUJASCD-SNVBAGLBSA-N 282.796 3.622 30 20 CHED C#CCCNc1ccccc1SCC(F)(F)F 760287162 HYPBJYWYJSFMRQ-UHFFFAOYSA-N 259.296 3.776 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1cscn1 767900714 LTZBCOKIJJTTJK-UHFFFAOYSA-N 285.294 3.998 30 20 CHED C[C@@H]1CCC[C@H](N2CCC(=NOCC(F)(F)F)CC2)C1 764846829 QXDYHJKKXDBKKJ-YPMHNXCESA-N 292.345 3.596 30 20 CHED CC#CCCOC(=O)c1sc(-c2cccs2)nc1C 760274712 UVETWJFELBMMLD-UHFFFAOYSA-N 291.397 3.750 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(SC(C)C)cc1 761381818 MYTWVLQUFAYDOS-UHFFFAOYSA-N 292.400 3.879 30 20 CHED Cc1cccc(C(=O)OCc2cc(F)ccc2C#N)c1F 761292974 FVIMHKXUTUNNJG-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC(=NNc1ccccc1Br)c1cscn1 767900212 STQFCMDPMWVNFS-UHFFFAOYSA-N 296.193 3.742 30 20 CHED C[C@@H](C#N)COC(=O)c1ccccc1N(C)c1ccccc1 770932468 YKPRKWUMGVLWSR-AWEZNQCLSA-N 294.354 3.771 30 20 CHED CCO[C@@H](C/N=C/c1c(O)cccc1OC)c1ccccc1 772155552 RGNYHMHVPCHRGB-LPGQDOADSA-N 299.370 3.598 30 20 CHED C#CCN(Cc1cc(F)ccc1O)[C@@H]1CCc2ccccc21 778984979 OEXZQHYRCCNXSI-GOSISDBHSA-N 295.357 3.654 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cccc(C(=O)O)c2)c1 774126276 IGENYMNRAWCFLR-MDZDMXLPSA-N 296.322 3.680 30 20 CHED C#CCOc1ccc(CNc2ccc(N(C)C)c(C)c2)cc1 770526866 DOPZFSDYFCPALG-UHFFFAOYSA-N 294.398 3.685 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CCOC1 774820025 ORYNUJXYSSVKFT-LSDHHAIUSA-N 269.429 3.668 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NNc1cccc(C#N)c1 1118517583 BQWGBDPZOAJMQN-GFCCVEGCSA-N 291.354 3.896 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1F 777914198 ATCYLVSSXSRRIB-CLFYSBASSA-N 285.274 3.938 30 20 CHED CCC(=NNc1ccc(C#N)cc1)c1ccccc1F 778538103 LGOZEGHCDYQEKV-UHFFFAOYSA-N 267.307 3.924 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1cc(C)c(OC)cc1C 770028418 QNIQIECFBPSYSL-AWEZNQCLSA-N 288.387 3.966 30 20 CHED C=C(CC)CN1C[C@H](CCN2CCCC2=O)c2ccccc21 773446228 AELRWPLFLRHNIV-INIZCTEOSA-N 298.430 3.569 30 20 CHED C#CC[C@H](NCCc1ccc(F)c(F)c1)c1ccccc1 775398392 IFSVQSHPVCXAPL-SFHVURJKSA-N 285.337 3.862 30 20 CHED c1ccc2c(c1)OCCCC2=NNc1ccc2[nH]ncc2c1 779818754 MVSOBVVZEHSGKB-UHFFFAOYSA-N 292.342 3.552 30 20 CHED C#CCCCCCC(=O)NCCc1csc(C(C)C)n1 779898624 DTJJNHFPEGRTLJ-UHFFFAOYSA-N 292.448 3.509 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccc3sccc3c2)C1 1122717748 NGLIALOBQMBJKW-ZWNOBZJWSA-N 271.341 3.750 30 20 CHED Cc1ccc2cc(C=NNc3ccccc3)ccc2n1 783512029 ZRYYHSKGCMKPTQ-UHFFFAOYSA-N 261.328 3.989 30 20 CHED Clc1csc(C=Nn2cnc3ccccc32)c1 782185461 RISDQJAMQWDQSG-UHFFFAOYSA-N 261.737 3.633 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)c(N2CCCC2)c1 881000441 SUCARSNCKIYBSM-UHFFFAOYSA-N 287.407 3.635 30 20 CHED C=CCCCOC(=O)C1(Cc2ccc(F)cc2)CC1 782472229 FGOAOTCWQBFPJT-UHFFFAOYSA-N 262.324 3.658 30 20 CHED C(=NOC1CCCCC1)c1ccc2cnccc2c1 782283698 SCYUJJMJXCNFSF-UHFFFAOYSA-N 254.333 3.918 30 20 CHED C=C1CCC(C(=O)Nc2sc3c(c2C#N)CCC3)CC1 887638418 WRLUXYOJBVYMQD-UHFFFAOYSA-N 286.400 3.793 30 20 CHED CC(C)(C)CC(=NN[C@@H]1CCOC(C)(C)C1)C1CC1 787161429 ABWLWKNIFRRWEZ-CYBMUJFWSA-N 266.429 3.736 30 20 CHED CC(C)C(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2o1 784490886 ZSSXUABQUMZGJZ-NSHDSACASA-N 270.332 3.686 30 20 CHED Cc1ncc(N[C@H]2CC[C@H](C#N)C2)c(C)c1Br 896665561 IYQRBBRHUSIDCS-QWRGUYRKSA-N 294.196 3.565 30 20 CHED C[C@@H](Cn1ccc2ccccc21)C(=O)OCCCCC#N 797026755 VVZXGGLJANPHHC-AWEZNQCLSA-N 284.359 3.514 30 20 CHED Cc1ccsc1C(=O)/C=C/c1c(F)ccc(O)c1F 794942151 JEUCMJMXLGHJID-DUXPYHPUSA-N 280.295 3.936 30 20 CHED CCC[C@H](C=NOCCSC)c1ccccc1 794574805 QLAIEBZKHRSZQM-CQSZACIVSA-N 251.395 3.936 30 20 CHED CSCCON=C(C)c1oc2ccccc2c1C 794574762 ONUMWERVBSRVBF-UHFFFAOYSA-N 263.362 3.845 30 20 CHED C=CCNN=C(CC)CSc1ccc(Cl)cc1 795003244 HFZDOLPOSIGHDB-UHFFFAOYSA-N 268.813 3.974 30 20 CHED COc1cc(Br)ccc1NCC1(CC#N)CC1 712290077 LCAAWHSLZXCNKB-UHFFFAOYSA-N 295.180 3.563 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cccc(NC(=O)CC)c1 791767651 KACOHYRBNHTFNM-KRWDZBQOSA-N 289.375 3.681 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)CCc2ccc(O)cc21 794959607 BTIAZAHBZKXVQC-WQLSENKSSA-N 286.277 3.883 30 20 CHED CSc1ccc(COC(=O)c2cc(C#N)oc2C)cc1 797884328 LPRPWXRDHLUWHT-UHFFFAOYSA-N 287.340 3.539 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc2n[nH]cc2c1 794854046 ARDHVPUZRKVJFK-UHFFFAOYSA-N 264.332 3.707 30 20 CHED Fc1cccnc1NN=Cc1cccc2ccccc12 794990088 NHNWCHNTCKPRRA-UHFFFAOYSA-N 265.291 3.820 30 20 CHED C#C[C@@H](CCC)NC(=O)c1sc2ccc(F)cc2c1C 791739571 GJHVSIHAEJPMOG-LBPRGKRZSA-N 289.375 3.881 30 20 CHED C=CCC(C)(C)C(=O)OCc1c(F)cccc1F 796461232 CFSFMCXHZPAPLJ-UHFFFAOYSA-N 254.276 3.610 30 20 CHED Cc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1C 799292667 KFTZMEDJTOUPFB-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CSCCON=C(C)c1cc(Cl)c(Cl)cc1O 794574063 SINSFYQSPWIPQU-UHFFFAOYSA-N 294.203 3.803 30 20 CHED CC(C)(C)C1CCN(N=Cc2cccs2)CC1 790182031 VJWMWCQBWMSTNS-UHFFFAOYSA-N 250.411 3.840 30 20 CHED Cc1cc([C@@H]2CCCN2c2ccc(Cl)cc2C#N)no1 729183401 UAVFXPITRGGGDA-HNNXBMFYSA-N 287.750 3.850 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@H]2CCCSC2)n1 588847401 VVUCLLVDOAWUJQ-GFCCVEGCSA-N 289.448 3.806 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2CCC[C@H](C)C2)c1 741559129 QQAUXDQAJQWRSS-HOCLYGCPSA-N 269.388 3.847 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)[C@@H](C#N)CC 593412761 QRHUPCQPEQZXCF-SNVBAGLBSA-N 280.755 3.617 30 20 CHED COc1cc(C#N)ccc1CN1CC(C)(C)CC(C)(C)C1 1169005534 UPMVCWRUHLYQFO-UHFFFAOYSA-N 286.419 3.825 30 20 CHED CCc1cccc(N(C)Cc2ccc(OCC#N)cc2)c1 1170917848 XTYXPBDKMPSRRP-UHFFFAOYSA-N 280.371 3.788 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1ccnn1C(C)C)C2=O 1321071293 AOSBGDFORIXINU-ZROIWOOFSA-N 296.370 3.740 30 20 CHED C=C(Cl)CSCC(=O)Nc1cccc(CC)c1 1327693236 TUCXPVRHJUOMFO-UHFFFAOYSA-N 269.797 3.673 30 20 CHED Cc1cc(C)c(C(=O)OCc2ccc(Cl)cc2C#N)[nH]1 1321330800 FQQXASWPZVADEH-UHFFFAOYSA-N 288.734 3.514 30 20 CHED CC[C@@H](C)[C@H](NC(=O)CC#Cc1ccccc1)C(F)(F)F 1320812999 GJLZVJOPTHKOBY-DOMZBBRYSA-N 297.320 3.521 30 20 CHED CCc1ccc(C(=O)NCc2cccc(C#N)c2)cc1CC 1320055858 YYNHAEJZSPDJJJ-UHFFFAOYSA-N 292.382 3.613 30 20 CHED Cc1ccc(NN=Cc2scnc2C)cc1Cl 1252253714 COGVJPBLGODWMT-UHFFFAOYSA-N 265.769 3.859 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H](C)c1cccs1 1335398104 PDQOSCYXQXVWHO-VXGBXAGGSA-N 251.395 3.870 30 20 CHED Cc1cc(C)cc(OC(=O)C2(c3cccc(C#N)c3)CC2)c1 1263136420 CJJMQFFGARDLII-UHFFFAOYSA-N 291.350 3.812 30 20 CHED Cc1ccc(NN=Cc2cnc3ccccn23)cc1Cl 1341143776 FAXLYWJXLXWQEU-UHFFFAOYSA-N 284.750 3.742 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C23CCC(CC2)CC3)C1 1349718791 UOHHOFUUJDPFRO-WJEHIRDRSA-N 261.365 3.582 30 20 CHED N#CC[C@@H](OC(=O)CC1CCCCC1)c1ccco1 1346719781 GFURTJFXPWRGID-CQSZACIVSA-N 261.321 3.748 30 20 CHED C#CCN(Cc1csc(-c2ccc(C)o2)n1)CC1CC1 1349487805 XYUFCPJIGVZVRK-UHFFFAOYSA-N 286.400 3.557 30 20 CHED C#CCSCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 219228730 PHVLGQFMZNSTSK-NSHDSACASA-N 287.350 3.722 30 20 CHED C=C1CCC(C(=O)Nc2ccc(NC(=O)OC)cc2)CC1 1350125242 QXRLLTBCDKIQMZ-UHFFFAOYSA-N 288.347 3.550 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)nc1Cl 1355121398 NEWRVURMPOGNPS-SNVBAGLBSA-N 299.201 3.959 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)C[C@@H](C)COC)c1cccs1 1519366473 NFVKENGBHXXSSA-LALPHHSUSA-N 295.404 3.555 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccc(SCCOC)cc1 1527658268 DUAZVTLGZQVJFC-CYBMUJFWSA-N 293.432 3.569 30 20 CHED N#CCc1ccc(COC(=O)c2ccc(CF)cc2)cc1 1535000871 NYVXAUWECSMCKW-UHFFFAOYSA-N 283.302 3.579 30 20 CHED Cc1ccc2oc(CNC(=O)c3ccc(C#N)s3)cc2c1 1617834716 MLZUPRYXJPDDIF-UHFFFAOYSA-N 296.351 3.604 30 20 CHED Cc1cc(C)c(CCNc2nccc(C)c2C#N)c(C)c1 1612171264 LYLBZXUFCNZTFX-UHFFFAOYSA-N 279.387 3.842 30 20 CHED CC(C)C1CCC(NC(=O)C2(C#N)CCCCC2)CC1 119561471 ALSGXDGLTSEAOR-UHFFFAOYSA-N 276.424 3.791 30 20 CHED Cc1cccn2cc(C(=O)N(CCC#N)CC(C)(C)C)cc12 1628572875 RWVDMERFMNVUOI-UHFFFAOYSA-N 297.402 3.650 30 20 CHED CCN(C(=O)c1cc2c(ccc3ccccc32)[nH]1)[C@H](C)C#N 1641257178 IWVVFJTWHOHDOT-GFCCVEGCSA-N 291.354 3.695 30 20 CHED Cc1cc(SCC(=O)Nc2ccccc2)ccc1C#N 1641223536 XHAIZYXTVSJBQG-UHFFFAOYSA-N 282.368 3.598 30 20 CHED Cc1nnc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c(C#N)c1C 1642369796 CPPGDKCLDWEIQL-IINYFYTJSA-N 272.396 3.592 30 20 CHED C=CC[C@H](S[C@H](C)c1cccc(OC)c1)C(=O)O 1588758289 FHMCGLZDFKEPMA-MFKMUULPSA-N 266.362 3.519 30 20 CHED CC[C@H](C)[C@H](CNc1nc(C(C)(C)C)ccc1C#N)OC 1655496670 OVRBOIMDVTYRHG-JSGCOSHPSA-N 289.423 3.724 30 20 CHED Cc1ccccc1CCN(C)Cc1cccc(F)c1C#N 1659867503 AJZDLYFLOZXHSV-UHFFFAOYSA-N 282.362 3.680 30 20 CHED Cc1cc(N(CCC#N)CC(C)(C)C)nc(C2CCC2)n1 1655341347 PMSURHQZUXSUHK-UHFFFAOYSA-N 286.423 3.819 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](C(=O)O)[C@H]1C 1595704979 MIKZCLIPYJPQBM-RRFJBIMHSA-N 297.439 3.695 30 20 CHED CCCC[C@@H](C)[C@@H](C)NCc1ccc(OC)c(C#N)c1 1660584365 ZEOAQPPHCWEZIK-ZIAGYGMSSA-N 274.408 3.871 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc(C(=O)O)cc1 1776056776 OWXJRDKGDUYKHP-UHFFFAOYSA-N 282.343 3.702 30 20 CHED Cc1cc(C)c2c(c1)CCC2=NNc1cccc(C(=O)O)c1 1776037597 PRBPIDJFEOCWGQ-UHFFFAOYSA-N 294.354 3.764 30 20 CHED C=CCN(CCC)[C@H](C(=O)O)c1ccc(F)c(Cl)c1 1776179776 CJYKNJLRCVNFAY-ZDUSSCGKSA-N 285.746 3.503 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)c1ccc(F)cc1)OCC 339433763 DJLITQPHVJEZCH-HNNXBMFYSA-N 279.355 3.550 30 20 CHED CCCCn1ncc(Nc2ccc([N+](=O)[O-])cc2C#N)c1C 161115898 QSOQAVSXQDUXPE-UHFFFAOYSA-N 299.334 3.515 30 20 CHED CC(C)(C)Oc1ccncc1NCc1cc(C#N)cs1 158457943 KAXAGQMHTNOAPH-UHFFFAOYSA-N 287.388 3.804 30 20 CHED N#Cc1ccc(C(=O)NCCCc2ccccc2)cc1Cl 153559428 GZGRZLLXMHEVKA-UHFFFAOYSA-N 298.773 3.574 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(-n3cccn3)c2)o1 157261008 ZZCXYHILBXATTB-VQHVLOKHSA-N 292.338 3.924 30 20 CHED N#Cc1cccc(NC(=O)Nc2cc(F)c(F)c(F)c2)c1 154120828 NYOJCDWPKILLCS-UHFFFAOYSA-N 291.232 3.620 30 20 CHED C/C=C/C=C/C(=O)Nc1cc(C(C)(C)C)sc1C#N 154278805 COWKIMMKJZKIOL-BSWSSELBSA-N 274.389 3.988 30 20 CHED C=CCC[C@H](Nc1nccc(C)n1)c1ccccc1 154586379 IEZZMMUZJKOTLH-HNNXBMFYSA-N 253.349 3.904 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(C)cccc1OC(F)F 117006025 BGASIWBTPHJLJN-JTQLQIEISA-N 284.306 3.683 30 20 CHED Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2)c(Cl)c1 234277727 BRIDHLNFCLZFSS-UHFFFAOYSA-N 284.746 3.797 30 20 CHED COc1cccc([C@@H](C)Nc2nc(Cl)c(C#N)s2)c1 804363249 XOBJYEOINSLMGW-MRVPVSSYSA-N 293.779 3.850 30 20 CHED C=CCCCC(=O)Nc1ccc(Br)cc1OC 871109266 WHCGYQIANKSWBB-UHFFFAOYSA-N 298.180 3.753 30 20 CHED N#Cc1cccc(CNc2ccccc2OC(F)F)c1 20096276 VSNQGINULQBNMD-UHFFFAOYSA-N 274.270 3.772 30 20 CHED N#Cc1cc(Cl)ccc1COc1ccc(F)cc1 260880786 ZUOVRFLYNCJDKJ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#C[C@@H](NC(=O)CCC1CCCCC1)C1CCCCC1 40360194 PYIHOWDKZDGKMB-MRXNPFEDSA-N 276.424 3.936 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)s1 48824344 HCHGTMLHQUNXSQ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 194584996 ITQSBLLYDUSHOR-BXUZGUMPSA-N 271.364 3.567 30 20 CHED CC1(CNCc2ccc(C#N)c(F)c2)CCCCC1 404255674 NOVDBNVNHFKKLG-UHFFFAOYSA-N 260.356 3.757 30 20 CHED N#Cc1cc(F)ccc1NCCCOCc1ccccc1 309865582 MAHNUVYGZJTNPD-UHFFFAOYSA-N 284.334 3.716 30 20 CHED C#C[C@@H](CC)NC(=O)c1sc2ccccc2c1Cl 700590237 YOYTZRSCFRRSIK-VIFPVBQESA-N 277.776 3.696 30 20 CHED Cc1nsc(NC[C@@H]2CCC3(CCCCC3)O2)c1C#N 329222302 WEZRURWULYXWMS-LBPRGKRZSA-N 291.420 3.617 30 20 CHED N#CC1(NC(=O)c2cc3cscc3s2)CCCC1 528427303 JQBBHPSYSMCOMW-UHFFFAOYSA-N 276.386 3.529 30 20 CHED CCCOc1ccc(C=O)c(OCCC(C)(C)C#N)c1 87592258 WJRUZHCQCLIKEJ-UHFFFAOYSA-N 275.348 3.607 30 20 CHED C#CCN(C(=O)[C@@H]1CCCC(F)(F)C1)C1CCCCC1 491099628 BVQRZGDSIDXGJF-CYBMUJFWSA-N 283.362 3.606 30 20 CHED N#Cc1ccc(CN2CCC3(CCC3)C2)c(Cl)c1 380368228 OGXZHBVVYYFBIQ-UHFFFAOYSA-N 260.768 3.588 30 20 CHED N#Cc1cccc(CNc2cncc3ccccc23)c1 396528530 RHLMEZJSXWYZLG-UHFFFAOYSA-N 259.312 3.719 30 20 CHED Cc1cc(C(=O)COc2cccc(C#N)c2)c(C)n1C1CC1 6401901 LLMHBMWSSNXQJZ-UHFFFAOYSA-N 294.354 3.573 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc(F)c(F)c1 54802426 YFLCLERNKFAMER-ORCRQEGFSA-N 286.277 3.796 30 20 CHED CC(C)(C)OC(=O)c1ccc(C#N)cc1C(F)(F)F 116121595 CJYMXRIOBOKKKY-UHFFFAOYSA-N 271.238 3.532 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1F 56312530 FOEHLXKIVDQDAY-UHFFFAOYSA-N 280.346 3.886 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2)o1 176229007 LYLJXFAERMCUJI-KRWDZBQOSA-N 298.342 3.740 30 20 CHED COCc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 114763834 MTKNFEKFKLCWNI-CQSZACIVSA-N 296.370 3.736 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)c2ccc(F)cc2F)CC1 111789371 ZMVPRDPGLQJTNS-LLVKDONJSA-N 294.345 3.633 30 20 CHED C[C@H](CC(=O)[C@@H](C#N)c1ccccn1)C1CCCCC1 102118814 YMTZJEZVFRCRRF-HIFRSBDPSA-N 270.376 3.864 30 20 CHED CN(C(=O)C[C@@H]1C=CCC1)c1cc(Cl)ccc1C#N 176433513 KFIJBHNZEQGJRP-LLVKDONJSA-N 274.751 3.531 30 20 CHED C[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccc(C#N)cc1 102903969 XIKSTZYVWZNZON-CXAGYDPISA-N 297.402 3.593 30 20 CHED C=C(Cl)CSCc1cc(-c2ccco2)on1 171123340 AIQDTYMXTFYSPD-UHFFFAOYSA-N 255.726 3.920 30 20 CHED Cc1ccc([C@H](C)Nc2nccc(C)c2C#N)s1 135068170 BAJDKBPYTHJVSP-NSHDSACASA-N 257.362 3.805 30 20 CHED C[C@H](NCc1ccc2ncccc2c1)c1cccc(C#N)c1 174431812 DEDCYYAEPINLSR-AWEZNQCLSA-N 287.366 3.957 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(C)cc1 60677770 CYBCHMAUMFSLEG-UHFFFAOYSA-N 271.385 3.885 30 20 CHED Cc1c(F)cccc1C(=O)N(CCC#N)CC(C)(C)C 421461137 RCJFYWJLHLDJQX-UHFFFAOYSA-N 276.355 3.536 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)c1sccc1C1CC1 67160746 CWZWXTSFVJTTAI-UHFFFAOYSA-N 296.395 3.769 30 20 CHED C=CCCCSCC(=O)Nc1ccccc1OCC 117944597 BWEZOORENLIUGZ-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cccc(C)c1C 115858614 XXTFIYTXXJMWDK-HNNXBMFYSA-N 274.408 3.972 30 20 CHED CC(C)C[C@@H](C)CC(=O)N(C)Cc1cccc(C#N)c1 67800760 IGRVUSDLGGGGJA-CQSZACIVSA-N 272.392 3.589 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 119291237 IIVVBSVGWXAUAX-CQSZACIVSA-N 295.386 3.637 30 20 CHED CCC(CC)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301378290 YQNYKBFXDHMGPN-UHFFFAOYSA-N 284.319 3.615 30 20 CHED N#Cc1c(NC(=O)[C@H]2CC=CCC2)sc2c1CCCC2 69086673 ZXTUNMTWFWEPLG-NSHDSACASA-N 286.400 3.793 30 20 CHED CCCc1ccccc1NCC(=O)Nc1cccc(C#N)c1 25902942 OHIGCMIMXOPUCZ-UHFFFAOYSA-N 293.370 3.561 30 20 CHED C[C@@H]1CC(NC(=O)Nc2ccc(CC#N)cc2)C[C@@H](C)C1 172431279 GRJIONYFGNCCRD-STQMWFEESA-N 285.391 3.699 30 20 CHED C=CCOc1cccc(NC(=O)c2cccnc2Cl)c1 65878347 YZZBLRBVAJSZNT-UHFFFAOYSA-N 288.734 3.552 30 20 CHED N#CC[C@H](C(=O)NCCC1CCCCC1)c1ccccc1 1355961056 MDEBMDCETSRHEW-KRWDZBQOSA-N 284.403 3.770 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1cccnc1 69913834 MIGKKPAXRSSIBT-UHFFFAOYSA-N 273.380 3.682 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@H](C)c1ccco1 178584880 KUMUGRXMHVAFFB-GFCCVEGCSA-N 283.331 3.685 30 20 CHED CCN(Cc1ccccc1OC(F)(F)F)C[C@@H](C)C#N 120518940 IVJUUAOGFSKPFS-NSHDSACASA-N 286.297 3.567 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1cccc(F)c1 174252079 DVIABQPAQOAGDZ-UONOGXRCSA-N 298.361 3.815 30 20 CHED N#Cc1c(Cl)nsc1Nc1ccc2c(c1)CCC2 301930381 MRPNLRBULLKPPM-UHFFFAOYSA-N 275.764 3.900 30 20 CHED CCCC(CCC)C(=O)NCc1cc(C#N)ccc1F 125556327 UQRUOBMCHWQOOJ-UHFFFAOYSA-N 276.355 3.530 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccnc2ccsc12 301360478 NWTBWGDGICZYSA-UHFFFAOYSA-N 279.368 3.804 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@]12CCC[C@H](C)C2 66131438 XNGLVGAWDYTWKM-SUMWQHHRSA-N 270.376 3.647 30 20 CHED C=CCOc1ccccc1C(=O)N(C)c1ccccc1 34148488 JEAKSWAODMNAQW-UHFFFAOYSA-N 267.328 3.528 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(CC)Cc1ccccc1C 188125763 JMIKZXQCSAXNLP-GOSISDBHSA-N 289.419 3.572 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCC=CO1)c1ccccc1 188575759 AYEWVIBZKMWFFY-DLBZAZTESA-N 257.377 3.976 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 123075887 UYJHTZJARXHXHT-RLFYNMQTSA-N 284.403 3.687 30 20 CHED C=C(C)CN(CC)Cc1cc(=O)oc2cc3c(cc12)CCC3 72553275 JEDYLLUPDNGYJK-UHFFFAOYSA-N 297.398 3.680 30 20 CHED C[C@H](S[C@H](C)c1ccc(C#N)cc1)c1cnccn1 185561323 REOUMZXOQIXWFS-NEPJUHHUSA-N 269.373 3.904 30 20 CHED CC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 73438572 OWXDBIKVCOSPSX-SNVBAGLBSA-N 276.405 3.873 30 20 CHED CCN(CC#N)Cc1c(OC(C)C)ccc2ccccc12 72582963 GTNGZHRXYCOYJG-UHFFFAOYSA-N 282.387 3.972 30 20 CHED Cc1sc([C@H](C)NCC#N)nc1-c1ccc(Cl)cc1 184948248 WCSDSPXYEKLGLF-VIFPVBQESA-N 291.807 3.946 30 20 CHED N#CCCCNC1(c2cccc(C(F)(F)F)c2)CCC1 180001301 POVAIYQMBXBRQK-UHFFFAOYSA-N 282.309 3.978 30 20 CHED C=CC[C@H](C)NC(=O)C1(Cc2ccccc2Cl)CC1 189825251 FAJBECIMYMCZIE-LBPRGKRZSA-N 277.795 3.744 30 20 CHED CC(C)C[C@H](C)NC(=O)Nc1ccccc1O[C@H](C)C#N 184297565 PYABQMHFRMAZBJ-QWHCGFSZSA-N 289.379 3.534 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)n(C(CC)CC)n1 410120661 HHBWFKXLQLZNPH-ZDUSSCGKSA-N 277.412 3.637 30 20 CHED CC[C@@H](CN(CC)C(=O)CC(C)(C)C#N)c1ccccc1 505974784 BUMMSIWOTPCGHN-HNNXBMFYSA-N 286.419 3.969 30 20 CHED C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1cccc(F)c1 79389020 SCVLJXPRYDYSEE-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED C[C@@H](CC(C)(C)C)C(=O)Nc1cnc(C#N)c(Cl)c1 411031498 MAZSAVKQXNNNTQ-VIFPVBQESA-N 279.771 3.617 30 20 CHED CC[C@H](C)[C@H]1CCCCN1CCCC1(C#N)CCOCC1 410378563 MVEXHINGNJCXAL-DLBZAZTESA-N 292.467 3.988 30 20 CHED Cc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 76028570 PJBAGPPPGVXVIA-LBPRGKRZSA-N 297.333 3.889 30 20 CHED COc1cccc2cc(C(=O)/C=C/c3ccc(F)nc3)oc12 186394151 DRTWQSPUXGPCCR-FNORWQNLSA-N 297.285 3.872 30 20 CHED N#CC1(CC[S@@](=O)CCC(F)(F)F)CCCCC1 414248089 UVNTVKXEOHYLNU-GOSISDBHSA-N 281.343 3.552 30 20 CHED C=CCSCCN[C@@H](C)c1cccc(Cl)c1 129358308 GUQXSLVVHZHIEF-NSHDSACASA-N 255.814 3.910 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cccc(F)c2F)s1 182722416 SORYVLISTRHHAT-VOTSOKGWSA-N 275.279 3.794 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cncs2)cc1C 129942968 MJSVHHYMILDNAI-SNAWJCMRSA-N 257.358 3.964 30 20 CHED CCc1ccc(CN(C)Cc2ccc(C#N)cc2OC)cc1 501268449 DWIGJBHHWRIBTQ-UHFFFAOYSA-N 294.398 3.761 30 20 CHED CCO[C@H](CCN[C@H](C)c1cccc(C#N)c1)C(C)C 181846436 DIUKSULDHANVJY-RHSMWYFYSA-N 274.408 3.660 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 181235039 ZGZUQLPAYUPLKA-WQVCFCJDSA-N 283.375 3.601 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccc(C#N)cc2)ccc1O 33411637 VEFSVXDVSKGTLS-UITAMQMPSA-N 293.322 3.559 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)c1ccc(F)c(Cl)c1 189763332 KUPNYMALMMLFRZ-OAHLLOKOSA-N 299.773 3.671 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(OC2CCC2)CC1 419290418 VMBYATVDAJBZLV-CQSZACIVSA-N 284.403 3.653 30 20 CHED N#CCCSCc1cccc(OCC(F)(F)F)c1 413008839 AIVIZTXYIUMHNE-UHFFFAOYSA-N 275.295 3.775 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(Cc1ccccn1)C1CC1 181096848 YIAVTMZGLIJGKF-CQSZACIVSA-N 287.407 3.500 30 20 CHED C[C@]1(C(=O)Nc2ccccc2CC#N)C[C@@H]1c1ccccc1 415625424 COTRBCUPBTVJDJ-APWZRJJASA-N 290.366 3.885 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419652820 VSUIVFPQEWRRSJ-XNJGSVPQSA-N 297.402 3.518 30 20 CHED CC[C@H](NCCCC1(C#N)CCOCC1)[C@H]1CC1(C)C 419317037 ROASPQVGNXUCBM-CABCVRRESA-N 278.440 3.501 30 20 CHED C=C(C)[C@H](NC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 187357828 SMFDTGBCKWNDJC-ZDUSSCGKSA-N 282.334 3.680 30 20 CHED C=C(C)CCc1noc(CSCCC(C)C)n1 508614180 IMRPTPRGPDSZFV-UHFFFAOYSA-N 254.399 3.858 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2sccc2C1 181042461 VSIYHVFWSZTQKQ-LBPRGKRZSA-N 278.421 3.561 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2c([nH]c3ccccc23)C1 135152490 FMEYGKPJUWSXMB-SFHVURJKSA-N 282.387 3.655 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N2CCCc3cc(C#N)ccc32)C1 411001862 NUSTXUAGWYHWCV-CJNGLKHVSA-N 282.387 3.664 30 20 CHED N#CC1(CNCc2c(Cl)oc3ccccc23)CCC1 418139017 HCTKMQVHADGJJT-UHFFFAOYSA-N 274.751 3.870 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCSC2(CCC2)CC1 411874510 HXUKBSQJBCDOBL-CQSZACIVSA-N 286.444 3.981 30 20 CHED C=CCC1(CNC(=O)Cc2cnccc2Cl)CCCC1 412392584 NNHVSBAHOQEMMS-UHFFFAOYSA-N 292.810 3.530 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1snnc1C1CC1 329494177 FGRXINNFESZIMN-MVWJERBFSA-N 291.420 3.689 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC[C@H]1C(C)(C)C 413977939 BCONOUIXRZRZPZ-JKIFEVAISA-N 281.440 3.546 30 20 CHED Cc1ccc([C@@H]2CCCN2c2ncc3c(c2C#N)CCC3)o1 425232659 UYBPMSFQDKUYNC-INIZCTEOSA-N 293.370 3.685 30 20 CHED N#Cc1csc(C(=O)Oc2ccc(OCC3CC3)cc2)c1 83939996 SQPULWOVXCAUQL-UHFFFAOYSA-N 299.351 3.628 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1C(F)(F)F 425274404 QYUIRJIIIQZELA-GXSJLCMTSA-N 279.265 3.681 30 20 CHED N#Cc1ccc(NCCc2cccc(Cl)c2Cl)nc1 49321191 XREQTTGKWWERMR-UHFFFAOYSA-N 292.169 3.915 30 20 CHED N#Cc1c(F)cccc1CSCCOCC(F)(F)F 427703790 ZMMPFGMGOSVKDF-UHFFFAOYSA-N 293.285 3.509 30 20 CHED CC(C)Sc1ccccc1NC(=O)N(C)[C@@H](C)CC#N 135395191 OLOWNPYAXNFZHV-LBPRGKRZSA-N 291.420 3.953 30 20 CHED CC(C)CN(C(=O)CSC(C)C)c1ccc(C#N)cc1 515372353 PVVAZAOQAVWDOP-UHFFFAOYSA-N 290.432 3.689 30 20 CHED C=CCC[C@@H](NCCc1nc2c(s1)CCCC2)C1CC1 89667193 QCNHQOLYGQNHNM-CQSZACIVSA-N 290.476 3.899 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc(F)cc2F)CCC1 190626537 FKISSBZHIWURDB-LLVKDONJSA-N 279.330 3.888 30 20 CHED C=C(C)COc1cc(CNc2ncccc2C)ccc1OC 130950558 HPQWPMFRVFALHG-UHFFFAOYSA-N 298.386 3.966 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)C(C)C)n1 80460287 NWMLTVICRFYMBS-GHMZBOCLSA-N 264.394 3.735 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cccc(C(F)(F)F)c1 48151180 PQVCYKIYMIFULA-UHFFFAOYSA-N 298.308 3.717 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1(C)CCCCCC1 510974583 BURUHEDGWOHDCX-UHFFFAOYSA-N 286.375 3.866 30 20 CHED CCS[C@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 429680637 IJNCPOUPBOQOGB-SJORKVTESA-N 291.435 3.831 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1c1cncc(C#N)n1 420581973 HXNZIRMYEDLBGO-SJORKVTESA-N 292.386 3.511 30 20 CHED CSc1c(F)cccc1C(=O)Nc1cccc(C#N)c1 335228591 MWFOIWHBOPTRHT-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N2CCc3c(C#N)cccc32)C1 421659491 XEUTZQJXTUIUIQ-NHAGDIPZSA-N 282.387 3.520 30 20 CHED N#C[C@H]1CC[C@H](NCc2nc3cc(Cl)ccc3s2)C1 334904469 ZKECYKAAJCIHED-ONGXEEELSA-N 291.807 3.732 30 20 CHED CCc1ccc(CC)c(C(=O)COc2ccccc2C#N)c1 514648947 HEADKOHUHUNPGL-UHFFFAOYSA-N 293.366 3.945 30 20 CHED CCCCC1CCC(NCc2ccc(C#N)o2)CC1 236826743 NSBMNFFDTJCTIR-UHFFFAOYSA-N 260.381 3.990 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@@H](c3ccccc3F)C2)c1 337533442 UNCQHXQJZTZKFL-CQSZACIVSA-N 298.336 3.826 30 20 CHED C[C@@H](C(=O)Nc1cccc(F)c1F)c1cccc(C#N)c1 336536389 MRBUCPLPQVFFHY-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 437332548 MZEBLPNKZBJYFT-LZWOXQAQSA-N 277.795 3.914 30 20 CHED C[C@@H](CNc1c(C#N)cccc1C#N)c1ccc(F)cc1 436314766 YYZOOHHNIDXDIJ-LBPRGKRZSA-N 279.318 3.785 30 20 CHED CC[C@H](C)[C@@H](C)/N=C(/O)c1cc(Cl)cc(F)c1N 330683790 JFYOTBJOTCBQHA-JGVFFNPUSA-N 272.751 3.801 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](CC)c1ccc(C)cc1)OCC 339206619 SMTLFMDSEREMOA-IRXDYDNUSA-N 289.419 3.934 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCCC1CCCCC1 437493382 FJRRBYGFUUCNDE-FUHWJXTLSA-N 293.451 3.834 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](c1cccnc1)C(C)C 438893211 KGRCAWOJDCSMMH-KRWDZBQOSA-N 293.370 3.640 30 20 CHED CCC(C#N)(CC)C(=O)N1CCc2ccc(Cl)cc21 528309830 BYEJCPNKPQVNTK-UHFFFAOYSA-N 276.767 3.559 30 20 CHED C=CCN(CCC#N)C[C@@H](CCC)c1ccccc1 430091527 SUVGEVGRFMOCQQ-QGZVFWFLSA-N 256.393 3.972 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C)c(C)c1 436311223 RXPQDDWPPBFZIB-NJAFHUGGSA-N 273.420 3.935 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@H](OCC)C1(CC)CC 436288852 GAORERGKFWBYEQ-QZWWFDLISA-N 295.467 3.541 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(F)ccc1OC 343047724 XYWQISSMBJJTCF-UHFFFAOYSA-N 295.354 3.536 30 20 CHED Cc1nnc(N[C@H]2CCC[C@H]2c2ccccc2)c(C#N)c1C 609513891 CKCJIOGOIBYNCO-RDJZCZTQSA-N 292.386 3.713 30 20 CHED C=CCN(CC(F)(F)F)C(=O)c1cc(CC)c(C)s1 520163693 PVNILFRGUKKFOW-UHFFFAOYSA-N 291.338 3.809 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)c2c(F)cccc2F)n1 346845938 GVNDSSDXDYSSAI-SNVBAGLBSA-N 273.286 3.713 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 431941718 MRRBRRSJJHMAMC-YOEHRIQHSA-N 286.419 3.713 30 20 CHED C[C@H](CCC#N)CNCCc1ccccc1Br 602529396 BHAOEHFNUFOTRB-GFCCVEGCSA-N 295.224 3.521 30 20 CHED CC1CCC(CC(=O)Nc2ccc(CC#N)cc2)CC1 524519600 YETUPYDENBQWCM-UHFFFAOYSA-N 270.376 3.908 30 20 CHED CCC(C)(C)c1ccc(NC(=O)CSCC#N)cc1 344975906 HULKBVVMDICVDY-UHFFFAOYSA-N 276.405 3.569 30 20 CHED CC[C@@H](CNc1nc(C)ccc1C#N)Oc1cccc(F)c1 346815475 KEMOVAPYZUUHQV-HNNXBMFYSA-N 299.349 3.670 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc2sc(C)nc2cc1Cl 435188290 MXXIZPYGPLMEET-SSDOTTSWSA-N 295.795 3.954 30 20 CHED Cc1cc(NCc2ccc(C(C)(F)F)cc2)cc(C#N)n1 432179595 YFGJIZOAOMYBOF-UHFFFAOYSA-N 287.313 3.986 30 20 CHED N#Cc1cccc(Cl)c1NCCOc1ccc(F)cc1 609494992 WUGIAAILDZVPEF-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=CCCOCC(=O)Nc1sccc1C(=O)C(C)(C)C 607834901 NNGWJAQUPZVUNT-UHFFFAOYSA-N 295.404 3.508 30 20 CHED C=CCOCCCc1nc(Cc2cc3ccccc3o2)no1 349770758 IMPXUHWSBJUYHB-UHFFFAOYSA-N 298.342 3.542 30 20 CHED CCCCN(C)C[C@@H](C)N[C@H](CC)c1ccc(C#N)cc1 343920159 CYPANBDPENLUQB-CRAIPNDOSA-N 287.451 3.719 30 20 CHED C=CC1CCN(C(=O)/C=C(/C)Cc2ccccc2OC)CC1 255060457 YSRXDEFYVNFLSB-PFONDFGASA-N 299.414 3.609 30 20 CHED Cc1cccc(Nc2ccccc2C(=O)NCCC#N)c1C 357661939 HDYZNOQVOHXGKT-UHFFFAOYSA-N 293.370 3.691 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccsc1 255048615 UAJRUDWZGFLFGX-UPHRSURJSA-N 250.269 3.922 30 20 CHED CCOc1cccc(NC(=O)Nc2ccc(C#N)c(F)c2)c1 353546687 GUHUUXWCLXSMOE-UHFFFAOYSA-N 299.305 3.740 30 20 CHED CO[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 440570768 WDGSZFCIBAHGKW-KBPBESRZSA-N 298.308 3.947 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CCc1ccccc1)C(F)F 449548575 OQGJOTIZUDWLFP-PMPSAXMXSA-N 295.373 3.576 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NCc1ccc(C#N)s1 538413133 XKBKVMCZGANCEK-SMDDNHRTSA-N 262.422 3.924 30 20 CHED CCOc1cc(Cl)ccc1CNC[C@H](C)CCC#N 602581863 LFFOZTYRJXGUIZ-GFCCVEGCSA-N 280.799 3.768 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(Cl)cc1 352580222 JRMNDPIDTZOSRE-UHFFFAOYSA-N 289.762 3.804 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CCC(F)(F)F 355887210 DPDIOEVAMSEVMQ-SNVBAGLBSA-N 256.271 3.503 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H]1CCCCC1(C)C 359435740 LSCKRWKLVKCNJB-AWEZNQCLSA-N 262.397 3.521 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1cccc(C#N)c1F 445878130 FDRQCKJKXKHAFS-LBPRGKRZSA-N 288.288 3.764 30 20 CHED C=C(C)CCN1CC[C@H](C(=O)OCC)c2ccccc21 352403051 SCSOQIAREUPCIJ-HNNXBMFYSA-N 273.376 3.510 30 20 CHED C[C@@H](CN(C)Cc1ccc(OCC#N)cc1)c1ccccc1 264544283 IQTKQWZLOCXCAV-INIZCTEOSA-N 294.398 3.824 30 20 CHED CC1(C)C(CNC(=O)Nc2ccc(CC#N)cc2)C1(C)C 355557607 LIWFIZJWSMEYOS-UHFFFAOYSA-N 285.391 3.556 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccccc2OC)CCCC1 449080032 SAXJXYAWEIOELX-UHFFFAOYSA-N 287.403 3.790 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/C2CC(F)(F)C2)cc1 263277072 QWGRAIUWPBGVST-JTQLQIEISA-N 281.350 3.724 30 20 CHED CCc1ccc(CN(C)Cc2cc(C#N)ccc2OC)cc1 533312989 QHGJCFUNFQVDHG-UHFFFAOYSA-N 294.398 3.761 30 20 CHED Cc1cc(C#N)ccc1COc1ccc2c(c1)OCCCO2 614392608 XVFMGMOBDVHIRN-UHFFFAOYSA-N 295.338 3.607 30 20 CHED CC(C)(CCC#N)CN(Cc1ccccc1)Cc1cc[nH]n1 353286671 NHZMRQNZQMXNIM-UHFFFAOYSA-N 296.418 3.742 30 20 CHED CC[C@@H](C)CN(CC)C(=O)c1cc2ccccc2n1CC#N 610497292 YYVXBDRBTFXEJS-CQSZACIVSA-N 297.402 3.673 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC(C)(C)CCC#N 351651038 PBJPLRRVOSITPY-MRXNPFEDSA-N 299.418 3.612 30 20 CHED Cc1cc(C)cc(N/C(N)=N\Cc2sccc2C)c1 262021159 XWJPBCKTRGCGCZ-UHFFFAOYSA-N 273.405 3.600 30 20 CHED CC(C)c1ncc(C(=O)N[C@@H](C)c2cccc(C#N)c2)s1 610948168 SISLKOQRPWQDJO-NSHDSACASA-N 299.399 3.629 30 20 CHED C=CC[C@@H]1N(Cc2occc2C(=O)OC)CCCC1(C)C 444780846 GFMULIQLLFQHSQ-HNNXBMFYSA-N 291.391 3.633 30 20 CHED C=C(C)COc1cc(CN2CCC(C)(C)C2)ccc1OC 539835790 VUEAMAOGRVYFKB-UHFFFAOYSA-N 289.419 3.882 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(CC)(CC)C1 539388888 QVQRZIBQLSVVLV-CQSZACIVSA-N 266.429 3.953 30 20 CHED CCCn1c(C(=O)N[C@@H](C#N)CC(C)C)cc2ccccc21 615745603 WKAPHGCEGRDQLV-OAHLLOKOSA-N 297.402 3.719 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccc(-n2cccc2)cc1 539437389 QVCFTBYRZJQFFQ-INIZCTEOSA-N 296.414 3.881 30 20 CHED C=CCCc1noc(CSCc2ccc(C)cc2)n1 453248416 QZOGUVOCXKWGBJ-UHFFFAOYSA-N 274.389 3.930 30 20 CHED C=CCCc1noc([C@H](C)Oc2ccc(C)cc2)n1 453248350 QFNLNOAFSYSZPZ-LBPRGKRZSA-N 258.321 3.637 30 20 CHED C=CCN(Cc1ccccc1CN(CC=C)C1CC1)C1CC1 538955043 DLCKAGLHDIOCSO-UHFFFAOYSA-N 296.458 3.987 30 20 CHED CC(C)c1ccc(CCC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612236843 JJAMEMQPMBMYHK-IBGZPJMESA-N 298.430 3.895 30 20 CHED C=CCCCCNC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 454803101 FAQAOYHASCDBLI-KBPBESRZSA-N 264.413 3.563 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@](C)(C#N)C1 612120887 VHDIMWLDGGCHQN-VYDXJSESSA-N 291.439 3.681 30 20 CHED N#Cc1cc(N(C#N)CC(=O)CCC2CCCC2)ccc1F 274029063 GTNWTBLYSCAUDG-UHFFFAOYSA-N 299.349 3.524 30 20 CHED Cc1ccc(NC(=O)CC(C)(C)C#N)cc1C(F)(F)F 278481752 KETAPZYYBKFQOB-UHFFFAOYSA-N 284.281 3.892 30 20 CHED CC1(C)CCCc2cc(C#N)c(NCC3(CC#N)CC3)nc21 362359207 NDJOKJDYMGDTJK-UHFFFAOYSA-N 294.402 3.673 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)n2C)n1 453184702 JTHSOGKWLAMABB-AAEUAGOBSA-N 284.363 3.631 30 20 CHED C[C@]1(C#N)CCCN(C/C=C\c2ccc(Cl)cc2)C1 612406086 IBNLBOMZKHKGOW-ZENLRNHISA-N 274.795 3.979 30 20 CHED CC(C)CCN(C)c1c(C#N)cnc2c(F)ccc(F)c12 610273622 AQSVATPFUXAHCG-UHFFFAOYSA-N 289.329 3.867 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1c1cccc(C)n1 366999274 VBBHGKXTFOQAEX-HOCLYGCPSA-N 287.407 3.591 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCC/C=C/CC 467299662 MAVXAGPVIDHFJS-VFNNOXKTSA-N 267.438 3.665 30 20 CHED CCC1CCC(c2noc([C@]3(C#N)C[C@@H]3C)n2)CC1 453140114 XMVKDVRQFGSIQZ-QZLRTXKQSA-N 259.353 3.555 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 454911712 MGQBEQVLCBMFHR-UMVBOHGHSA-N 288.391 3.553 30 20 CHED C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC(C)(C)C1 544066883 JTLGZROGLVKNPH-SNVBAGLBSA-N 297.324 3.844 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)CC2(C#N)CCC2)c1 450301642 UZQRIFXGVPJFRR-HNNXBMFYSA-N 256.393 3.990 30 20 CHED C=CCCc1nc(-c2cccc(CSC)c2)no1 547101576 SOXQQHWTBLZSFZ-UHFFFAOYSA-N 260.362 3.718 30 20 CHED CCS[C@@H](C(=O)OCc1ccc(CC#N)cc1)C(C)C 271914954 YSWYNTWYUZDTSM-OAHLLOKOSA-N 291.416 3.574 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](COC)c1ccc(F)cc1 540188963 NNVWRHUXIZYMDO-XEZPLFJOSA-N 265.372 3.704 30 20 CHED CC(C)COc1ccc(OC(=O)CC(C)(C)C#N)cc1 278907774 ZLNLKGNIDOIAAM-UHFFFAOYSA-N 275.348 3.567 30 20 CHED C=CCCOCC(=O)N(C1CCC(CC)CC1)C1CC1 620327755 HHZUDIHKXDNSLM-UHFFFAOYSA-N 279.424 3.539 30 20 CHED CC#CCSCc1cc(C(C)=O)ccc1OCC 464095914 PNUPMXQNWCQWLS-UHFFFAOYSA-N 262.374 3.544 30 20 CHED CC#CCCCc1nc(-c2ccc(C(C)C)nc2)no1 289021623 IOLWGGXXXBXOLH-UHFFFAOYSA-N 269.348 3.601 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 464559622 ISVFHZBUGZYTDB-BZUAXINKSA-N 261.409 3.655 30 20 CHED N#Cc1ccc(C(=O)NCCCCC2CCCC2)cc1 464639361 UQUQGNZAYFRTCI-UHFFFAOYSA-N 270.376 3.649 30 20 CHED N#CCc1cccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1 281492701 TXJKHJURVFHIRW-GFCCVEGCSA-N 289.285 3.705 30 20 CHED CC#CCCSCc1nc(-c2ccc(F)c(C)c2)no1 462367703 DMYGBXQNKRYVOS-UHFFFAOYSA-N 290.363 3.831 30 20 CHED CC[C@H](N=c1[nH]ccc(C#N)c1Cl)c1ccc(C)cc1 552909994 ZPRLEJRNULOWMN-AWEZNQCLSA-N 285.778 3.900 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)c1ccccc1SC 281838486 MTLHCEPPPGOSKL-JTQLQIEISA-N 284.812 3.521 30 20 CHED CC#CC(=O)N(Cc1ccccc1F)C1CCCCC1 283143230 JGKYGNQFWXXCBZ-UHFFFAOYSA-N 273.351 3.510 30 20 CHED CCCC[C@H](CCC)NC(=O)Cc1c(F)cccc1C#N 552258431 JMDRDWBMSOOIHP-AWEZNQCLSA-N 290.382 3.715 30 20 CHED C[C@@H](C#N)CNC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 555990446 GVRMFHSRWUJOLR-JSGCOSHPSA-N 285.391 3.506 30 20 CHED C=C[C@@H](C)NC(=O)C(c1ccccc1)c1ccccc1 465118537 FKEARXNPIVIGBH-CQSZACIVSA-N 265.356 3.509 30 20 CHED COCCC[C@H](NCCCCC#N)c1ccc(F)cc1 281627806 CWHFUBOFQOPARF-INIZCTEOSA-N 278.371 3.577 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@H]1CCC[C@@H]1C 469709686 ZAAPFRKHGWHMTP-GOEBONIOSA-N 278.440 3.991 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)[C@@H](C)c1ccccc1 467449577 KCBZJNRZWQVCBC-CVEARBPZSA-N 278.399 3.883 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc2c1CCO2)c1ccccc1 477756373 VRAMLXGDSQVHKZ-AWEZNQCLSA-N 293.366 3.920 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1c[nH]c2ccccc12 294131138 GIDOTDRFLINBJX-UHFFFAOYSA-N 284.403 3.819 30 20 CHED C#CCSCCN[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 808707801 YZBUUMCYDLOTID-QGZVFWFLSA-N 298.455 3.810 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1sccc1O 807990215 XWRIQHMSKICMAB-UHFFFAOYSA-N 291.332 3.506 30 20 CHED CC[C@H](OC(=O)CCCCCC#N)c1ccc(F)cn1 806001885 RMYYQWNKLALMOM-AWEZNQCLSA-N 278.327 3.689 30 20 CHED C=CCCCCCCNC(=O)N[C@@H]1CC[C@@H](SC)C1 805160577 ZRSAWOCKJHHQMW-ZIAGYGMSSA-N 284.469 3.706 30 20 CHED C=CCC[C@H](NCCc1cc(C(F)(F)F)ccn1)C1CC1 293030666 ABEKDQFFBFMTNQ-HNNXBMFYSA-N 298.352 3.977 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 809287574 FQBYPSZEJFDVAX-KBPBESRZSA-N 263.425 3.709 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1c[nH]c(C(F)(F)F)c1 807985129 KEOAXQJHMQZWGB-JTQLQIEISA-N 273.302 3.536 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccc(Cl)c(F)c1 295469540 IMPNQSCKTCWTRH-UHFFFAOYSA-N 269.747 3.650 30 20 CHED O=C1/C(=C\c2c[nH]c(C(F)(F)F)c2)Cc2ccccc21 806565734 QQUICHJPXRULQS-WZUFQYTHSA-N 277.245 3.856 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(C)[C@H]1c1ccncc1 293858026 JMPBPVVLXZIMFB-MRXNPFEDSA-N 284.403 3.760 30 20 CHED C=CCn1c(CC)nnc1N(Cc1cccs1)C(C)C 564376605 FWMYCBUQLOHMRT-UHFFFAOYSA-N 290.436 3.503 30 20 CHED C=CCCCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 471552480 SJIOGKRBCJDCKJ-GDBMZVCRSA-N 275.367 3.934 30 20 CHED C#C[C@@H](CC)NC[C@H](C)c1ccc(C(F)(F)F)cc1 809685903 YKPIYOGEKVPUPN-FZMZJTMJSA-N 269.310 3.810 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1ccoc1C 805224417 WHZMKRWQESUKTC-UHFFFAOYSA-N 278.396 3.866 30 20 CHED Oc1ccc(Cl)cc1/C=N\[C@H](C1CC1)C(F)(F)F 806550482 CSXPQWWAJWYYSS-YRMGLCMGSA-N 277.673 3.805 30 20 CHED CSc1ccccc1CSCCO[C@@H](C)C#N 802750969 FKEFXPDBEFESLP-NSHDSACASA-N 267.419 3.570 30 20 CHED C[C@@H](NC1(C2CC2)CC1)c1ccc(C#N)cc1Cl 562425730 NTSCGHNRTUQHKX-SNVBAGLBSA-N 260.768 3.805 30 20 CHED CCOc1ccc(NC(=O)c2ccc(C#N)s2)c(C)c1 486672849 DEGWUEVRFAQTPP-UHFFFAOYSA-N 286.356 3.579 30 20 CHED CC#CCCN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 482167544 WUBDPJGRXMKALP-JKSUJKDBSA-N 261.796 3.979 30 20 CHED C#C[C@H](NCc1ccnc(Cl)c1Cl)C(C)(C)C 811507667 KSWCVTXEXMUAPX-JTQLQIEISA-N 271.191 3.526 30 20 CHED CC(=NNc1nc2ccccc2s1)c1csc(C)n1 812372507 NCFMDSVROJDSAA-UHFFFAOYSA-N 288.401 3.897 30 20 CHED CCc1nc(SCCCCC(C)(C)C#N)nc(O)c1C 569472002 OAIYUHWKLSXGQJ-UHFFFAOYSA-N 293.436 3.865 30 20 CHED COc1ccc(C(C)=NNc2cc(C)ccc2F)cc1O 811644785 KRHQGJFMSDZWCZ-UHFFFAOYSA-N 288.322 3.684 30 20 CHED N#Cc1cccc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 481036547 NNTVOMLQVOKFFB-NNUKFRKNSA-N 283.762 3.965 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2c(F)cc(C#N)cc2F)CCO1 487078206 ZJIHURJUQCNEHP-FZMZJTMJSA-N 294.345 3.842 30 20 CHED CC#CCN(C)C(=O)c1sccc1-c1ccc(F)cc1 819245228 DCCBCBDOVJENCA-UHFFFAOYSA-N 287.359 3.650 30 20 CHED C=CCC[C@H](C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C)c1ccccc1 488985045 QUNCQYVDUNCJJJ-GVDBMIGSSA-N 283.415 3.851 30 20 CHED CC(C)C(C)(C)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813219678 CDAAOXIQPLMJPT-LLVKDONJSA-N 298.308 3.959 30 20 CHED COc1ccc([C@@H](C)C(C)=NOC/C=C/Cl)cc1OC 811668433 FZVNGTZIZBDJTQ-MFGPJSAZSA-N 297.782 3.952 30 20 CHED C=CCCn1cc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)nn1 653578524 PRQBWRBCIHFLFX-HOTGVXAUSA-N 290.455 3.549 30 20 CHED C#C[C@@H](NC(=O)c1cc(Cl)c(F)cc1Cl)C(C)C 816563751 JDIOAPOLVYRHFL-GFCCVEGCSA-N 288.149 3.520 30 20 CHED O=C(/C=C\c1cc(O)cc(C(F)(F)F)c1)c1ccco1 811694705 YRXUUMWOUIKXNF-ARJAWSKDSA-N 282.217 3.900 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 487738169 JKUDQKMPFNDTPF-OIISXLGYSA-N 299.418 3.514 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@H]2CC[C@@H](C)C2)cc1 570432712 ZCJWWZSYMDRDAN-KMFMINBZSA-N 284.403 3.756 30 20 CHED CCC(=NN[C@H](C)c1ccncc1)c1cc(C)ccc1OC 819816456 JDWFEKUYQFDADP-CQSZACIVSA-N 297.402 3.864 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1C)c1cccc(N)c1 814834232 VEXAWVQQBNOIPA-UHFFFAOYSA-N 298.346 3.712 30 20 CHED C#CCCCCN[C@H](C)c1ccc(OC)cc1Cl 818335116 SABNWFGHZZTLMH-GFCCVEGCSA-N 265.784 3.803 30 20 CHED CC(C)CC(CC(C)C)C(=O)N(CCC#N)C(C)C 572810239 YSZKEELCGOHYJC-UHFFFAOYSA-N 266.429 3.845 30 20 CHED N#Cc1cccc(NCCCc2cccc(F)c2)c1 488026445 WMBXRASCVFHERM-UHFFFAOYSA-N 254.308 3.742 30 20 CHED CC(C)(C)OC(=O)CCSCc1cccc(F)c1C#N 488275653 AVCZVDFAZOUABN-UHFFFAOYSA-N 295.379 3.662 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@H](C)c1cccc(F)c1 488883600 ZNPFZSUVXRQRBS-BBRMVZONSA-N 275.367 3.886 30 20 CHED C=CCC1(C(=O)NCC(C)(C)c2ncccc2C)CCC1 570985330 XWPRCFQLUFBVSC-UHFFFAOYSA-N 286.419 3.530 30 20 CHED C=CC[C@H](C)N[C@H](CC)c1cc(OC)c(OC)c(OC)c1 652165888 DCQNHAUGHNUPAW-GXTWGEPZSA-N 293.407 3.718 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 650576205 SVAIYVZJOOANEZ-CYBMUJFWSA-N 291.366 3.756 30 20 CHED CC/C(C)=C/C(=O)Nc1ccc(OC(C)C)c(C#N)c1 827442831 REEQGGYLEUQYDI-XYOKQWHBSA-N 272.348 3.640 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@H]1CCCC)C(C)C 727945356 OSHMKXXVJHJJJT-CABCVRRESA-N 266.429 3.951 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ccn(-c2ccccc2)n1 588618401 QRUIFFXAWNPWGE-KHPPLWFESA-N 299.333 3.640 30 20 CHED C=C(CNC1CC(OC(C)(C)C)C1)c1ccccc1 490151912 SUTZMSUSUDPKND-UHFFFAOYSA-N 259.393 3.636 30 20 CHED C=CC[C@@H]1CCCN(CCCCOC(C)(C)C)C1 661384501 JDIJKVOMXLVMJQ-OAHLLOKOSA-N 253.430 3.870 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](C2CCC2)C1 665736920 DJZHNAUKPNTIIT-ZFWWWQNUSA-N 264.413 3.563 30 20 CHED Cc1nc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)[nH]c1C 901488802 HUDXSCPIKKAIPH-MLJKTZRHSA-N 278.355 3.726 30 20 CHED C=CCN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)(C)C 661758019 OLRLATPRCJPYAQ-OAHLLOKOSA-N 294.483 3.558 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1-c1ncco1 826927825 ICTPRBIXHSHVRY-GFCCVEGCSA-N 270.332 3.882 30 20 CHED C#CCN(C(=S)Nc1c(C)cc(C)cc1Cl)C(C)C 905651675 GYQQCCXWQDEUIY-UHFFFAOYSA-N 294.851 3.997 30 20 CHED CC/C=C(\C)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 734082050 WPABXTREJPCTQS-RVFSUOIPSA-N 297.383 3.738 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@H]1CCC[C@H]1CC 835337738 QBFYNHDDRQVNLF-IJEWVQPXSA-N 268.397 3.585 30 20 CHED CCN(C)c1ccc(/C=C\C(=O)c2csc(C)c2)cn1 834447791 SDCNFGCTJXYBFN-ALCCZGGFSA-N 286.400 3.804 30 20 CHED CC(=NOC(C)C)c1ccc(Br)s1 835004529 WROPODLKQDZMMC-UHFFFAOYSA-N 262.172 3.660 30 20 CHED CCCCCNC(=S)NN=C1CCC[C@H](C2CC2)C1 737426796 CWGZAMSHYWMCIG-ZDUSSCGKSA-N 281.469 3.597 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 836783886 BZKFDCUOVJKJGE-RISCZKNCSA-N 297.320 3.884 30 20 CHED C=C(CNC(=O)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 672482816 IIRSOGNXTYUGBF-CZUORRHYSA-N 257.377 3.642 30 20 CHED C=C(Br)CN1C[C@@H](c2ccccc2)C[C@H]1C 734641186 XCCJDFSLCHSWNP-OCCSQVGLSA-N 280.209 3.773 30 20 CHED CC1(C)C[C@@]1(NCc1cccc(C#N)c1)c1ccccc1 595908042 DXUQMIHHUIBHEX-LJQANCHMSA-N 276.383 3.973 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCc1ccccc1F 912779126 OULVJLCDBPLKNP-NDENLUEZSA-N 294.329 3.741 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)/C=C/c2ccc(Cl)cc2)C1 839044203 PRLIMUNTPYKQKY-LBMWNBJUSA-N 289.762 3.979 30 20 CHED Cc1nocc1CS[C@H](C)c1cccc(C#N)c1 596358590 XYERFCHSNIINMX-LLVKDONJSA-N 258.346 3.849 30 20 CHED COc1ccc(-c2ccc(C#N)s2)cc1N1CCCC1 592988660 NFVUQFMHNKSEKT-UHFFFAOYSA-N 284.384 3.896 30 20 CHED CCCOc1cncc(-c2ccc(C)c(CC#N)c2)c1 596638465 VVHYNPMAXNAPAF-UHFFFAOYSA-N 266.344 3.912 30 20 CHED N#CCCCCOC(=O)c1cc(F)c(Cl)cc1Cl 914623392 ABYMIYYUDIQLOW-UHFFFAOYSA-N 290.121 3.983 30 20 CHED CC(C)[C@H](O)Cc1ccccc1-c1cccc(C#N)c1 592989338 RTAZAEIDEXJUOR-GOSISDBHSA-N 265.356 3.785 30 20 CHED C=C1CCN(c2ncnc3sc4c(c23)CC[C@@H](C)C4)CC1 594704088 JXAWEVOTCIDOGA-GFCCVEGCSA-N 299.443 3.973 30 20 CHED N#CCCCCNC(=O)C1(c2ccccc2Cl)CCC1 593052048 WEXJDLNICAAQDM-UHFFFAOYSA-N 290.794 3.572 30 20 CHED CCCc1ccc(CCCC(=O)N(C)[C@@H](C)CC#N)cc1 592761708 IYUIAHJXISPEPE-HNNXBMFYSA-N 286.419 3.722 30 20 CHED C=C(Br)COC(=O)[C@H](CC)CCCC 919223360 UUCVTEQAFKOWRO-SNVBAGLBSA-N 263.175 3.655 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CCCS1 743316246 PIKRCWPDSUXBAM-UONOGXRCSA-N 271.470 3.995 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccncc1 745827398 JTIVNAPCOPFVTN-IXDOHACOSA-N 299.418 3.673 30 20 CHED CC(C)(C#N)C[C@@H](O)CNc1cccc(C2CCC2)c1 598728367 BFUBCAIZGPAEMO-MRXNPFEDSA-N 272.392 3.667 30 20 CHED C#C[C@H](OC(=O)C1(F)CCCCC1)c1ccc(F)cc1 842409029 YLWCQXZHWWARMA-AWEZNQCLSA-N 278.298 3.716 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 673551579 KRHUXPVFBANETD-MELADBBJSA-N 266.429 3.807 30 20 CHED CCc1nc(C(C)C)ccc1CN1CCC[C@@](C)(C#N)C1 590173195 NGDVVBUPPQOLAT-SFHVURJKSA-N 285.435 3.893 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](OC2CCC2)C1 594026133 DHRRWUWPHSJEOM-RDTXWAMCSA-N 284.403 3.653 30 20 CHED C=CCN(C(=S)Nc1cc(OC)ccc1Cl)C(C)C 742986307 IVVWWBBRAJVNGP-UHFFFAOYSA-N 298.839 3.942 30 20 CHED N#CC1(CCOC(=O)[C@H]2CCC(F)(F)C2)CCCCC1 840537408 GAKVVGSTYAZBHN-LBPRGKRZSA-N 285.334 3.829 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(CCc2ccc(C#N)cc2)C1 595437360 FYNSQHWTFBDRGF-BEFAXECRSA-N 291.398 3.579 30 20 CHED C=C(C)CNc1cccc(C(=O)N2CCc3ccccc32)c1 748305428 KASUHHBSJQIILJ-UHFFFAOYSA-N 292.382 3.878 30 20 CHED CC[C@@H](C)Oc1cccc(NC[C@@H](O)CC(C)(C)C#N)c1 598726241 QOCBSFQTGGSORL-HIFRSBDPSA-N 290.407 3.577 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(Cl)c(C#N)s1 841223741 NUGOQJIJQZOHKQ-BDAKNGLRSA-N 297.811 3.823 30 20 CHED Clc1cccnc1NN=Cc1nccc2ccccc12 740762050 XTSLMUPTUYVPFG-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 748442459 RXSIOOYVFJYTDI-JYRVWZFOSA-N 290.366 3.910 30 20 CHED C(=NOCc1cccnc1)c1ccccc1OC1CCCC1 746585873 NLVHFRIYKNNFDG-UHFFFAOYSA-N 296.370 3.954 30 20 CHED C=CCc1cc(OCC)cc(CN2CCC[C@@H](C)C2)c1O 919935250 CHFLVMPHDCDUDJ-CQSZACIVSA-N 289.419 3.751 30 20 CHED CCCCCCCCOCC(=O)N[C@H]1CC=CCC1 741568839 LUHRICQGAQPWBW-HNNXBMFYSA-N 267.413 3.588 30 20 CHED CCCN(C(=O)[C@@H](C#N)CC)[C@@H](C)c1ccccc1OC 593425744 OJJNYMRVVBZLOQ-UONOGXRCSA-N 288.391 3.545 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 840605132 JEKZVGTZQCTQQB-JKSUJKDBSA-N 296.370 3.535 30 20 CHED CO[C@H](C=NNc1ccc(F)c(F)c1F)CC(C)C 841641697 ZXVZLXWNZXCLAB-VIFPVBQESA-N 274.286 3.563 30 20 CHED C=C(C)CON=C(C)c1sc2nc(C)nc(C)c2c1C 844618036 XIXJSERLYDSIKH-UHFFFAOYSA-N 289.404 3.933 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCC(C)(C)C1 597602679 YZCKRAQWYRNOBD-CQSZACIVSA-N 276.424 3.888 30 20 CHED C[C@@H](CC(=O)NCCc1ccc(C#N)cc1)CC(C)(C)C 597893719 YNENBAFRMQPVHW-AWEZNQCLSA-N 286.419 3.679 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H](OCC)C1 920237653 KBVMVAHVARUGJD-MRXNPFEDSA-N 298.471 3.948 30 20 CHED CC(=NNc1nccnc1Cl)[C@H](C)c1ccccc1 746372745 SMQVESJBOANDMF-JTQLQIEISA-N 274.755 3.722 30 20 CHED CC(C)[C@H](C#N)OC(=O)[C@@H](C)c1ccc(Cl)cc1 845459007 LXGACOSMSKDJQO-GWCFXTLKSA-N 265.740 3.535 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cccc2[nH]ccc12 926813063 MWYHGJUFDCGVSL-GFCCVEGCSA-N 255.365 3.586 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cnn(C)c1 920828593 CVOPEANJLGJZEX-ZDUSSCGKSA-N 284.407 3.618 30 20 CHED C#CCN(C(=O)N[C@@H](C)c1ccc(SC)cc1)C(C)C 922340836 JRJPMAVOCJYELP-ZDUSSCGKSA-N 290.432 3.523 30 20 CHED C#C[C@H](CC)NC(=O)c1cc2ccccc2c2cccnc12 754354348 QWGYFPZUNGIHAC-CQSZACIVSA-N 288.350 3.530 30 20 CHED C#C[C@@H](OC(=O)CC[C@H]1CC1(Cl)Cl)c1ccccc1 851086696 PFVIZSHRBQNOAG-QWHCGFSZSA-N 297.181 3.878 30 20 CHED C#CC[C@H](N[C@H](C)c1ccc(F)cc1O)c1ccccc1 756774211 ANIAUGWQVIPTOV-DYVFJYSZSA-N 283.346 3.947 30 20 CHED Clc1ccc(OCCCON=CC2CC2)cc1 853734422 ACAOXNHHHCKTTD-UHFFFAOYSA-N 253.729 3.521 30 20 CHED CC(C)[C@H]1C[C@H](C(=O)OCCCCC(C)(C)C#N)CCO1 924304998 DANNXTKPKLQMCR-HUUCEWRRSA-N 295.423 3.701 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc(C(=O)O)cc1)C2=O 921263274 ARGHDGKNRUCTHX-OQLLNIDSSA-N 278.307 3.516 30 20 CHED C=CCC(CC=C)C(=O)OCCOc1cccc(F)c1 759006194 CLDOUPHNYDSCGP-UHFFFAOYSA-N 278.323 3.516 30 20 CHED COCC(C)=NN=C(c1ccccc1)c1ccccc1 750916644 PVPBCLRIHAXJQX-UHFFFAOYSA-N 266.344 3.546 30 20 CHED C#Cc1cccc(CN[C@H](C)c2cccc(CN(C)C)c2)c1 926549257 FTLZMSKLPZSWIW-MRXNPFEDSA-N 292.426 3.580 30 20 CHED C(=NO[C@H]1CCCCO1)c1ccccc1N1CCCCC1 755820576 JLHOANNNSORBRE-KRWDZBQOSA-N 288.391 3.554 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(C(F)F)nc1 853336399 YAAQDAAQDQPKHJ-UHFFFAOYSA-N 282.212 3.712 30 20 CHED CCOC(=O)[C@@H]1CCC(=NOCc2ccccc2)C[C@@H]1C 758098243 QAFDMNJRZUKMGQ-XJKSGUPXSA-N 289.375 3.559 30 20 CHED CC(C)C#CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 854287032 LUDNNOAPLARSBV-UHFFFAOYSA-N 283.415 3.960 30 20 CHED CC(C)(C)n1cc(C=NNc2cccc(Cl)c2F)cn1 921137649 GPTHPVDUEHWHAW-UHFFFAOYSA-N 294.761 3.877 30 20 CHED C#CCCCCNC(=O)c1cc(Cl)ccc1OCCC 758632285 XJHLIMOPARKMPM-UHFFFAOYSA-N 293.794 3.662 30 20 CHED Cc1cc(C(=O)/C=C\c2cc3cc(F)ccc3o2)no1 752878439 RTEVBDBCRGYMAW-ARJAWSKDSA-N 271.247 3.764 30 20 CHED C#CC[C@H](NCCOCc1ccccc1)c1ccccc1 851902284 OXIHZJSLOLUUDC-IBGZPJMESA-N 279.383 3.557 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 759056192 CKCHXHWZZWKQLW-UHFFFAOYSA-N 294.738 3.955 30 20 CHED C#CCOc1ccccc1OC(=O)c1cc(Cl)cs1 758303524 WHMXDSCIGTTYCT-UHFFFAOYSA-N 292.743 3.633 30 20 CHED CC(C)c1ccc(NC(=O)C2(C#N)CCCCC2)cn1 928622232 ZJCMIMXZFSXSCO-UHFFFAOYSA-N 271.364 3.618 30 20 CHED C(=NNCCCOc1ccccc1)c1cccc2[nH]ccc12 755696556 POQJZJJQXGBPTN-UHFFFAOYSA-N 293.370 3.561 30 20 CHED C=C[C@H](C)NC(=O)/C=C/c1ccccc1O[C@@H](C)CC 757007053 VGVMCJAXRXKWSC-GHYUOPHCSA-N 273.376 3.568 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(OC(F)F)cc1 851213031 CKABKIUZMDFQLJ-SNVBAGLBSA-N 297.301 3.773 30 20 CHED COc1cc(Br)ccc1N[C@H]1CC[C@@H](C#N)C1 866489745 BKEYHZSFBLOTBY-KOLCDFICSA-N 295.180 3.562 30 20 CHED C[C@]1(C/N=C/c2cc(Cl)ccc2O)CCO[C@H]1C1CC1 767340569 BKJXUAULYNEBJX-DGMFMNFASA-N 293.794 3.670 30 20 CHED CC(C)C[C@@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 769402118 AYVSABLYVBCOJM-SFHVURJKSA-N 299.462 3.904 30 20 CHED CC(C)(C)C1CCC(=NNCCOCC(F)(F)F)CC1 765592974 HMHLKBXMXGDVKW-UHFFFAOYSA-N 294.361 3.747 30 20 CHED CCCCCCCCCCC(=O)N[C@H]1CC(C)(C)OC1=O 762037595 GCDRONAJQMGJQH-AWEZNQCLSA-N 297.439 3.728 30 20 CHED C[C@@]1(C(=O)OCc2cc(C#N)ccc2F)C[C@H]2CC[C@H]1C2 860188566 VJSRMCABRZHDAN-PZSREKOKSA-N 287.334 3.567 30 20 CHED CCCCOC(=O)CS[C@@H](C#N)Cc1ccc(C)cc1 865377571 JBHJYMNINKHQHV-OAHLLOKOSA-N 291.416 3.506 30 20 CHED C=CCOCCCc1nnc([C@@H](CC)c2ccccc2)o1 1117266475 MHSMSBFIRFBERZ-HNNXBMFYSA-N 286.375 3.747 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)CCC2CC2)cc1 768953317 QKQHHIJLFSXYNG-HNNXBMFYSA-N 271.404 3.757 30 20 CHED N#Cc1csc(C(=O)OCc2ccc(C(F)F)cc2)c1 764552817 RAWCDKGYZYXHFL-UHFFFAOYSA-N 293.294 3.914 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H]1Cc2ccccc21 768732774 SRQDNDXQUYKBJE-HNNXBMFYSA-N 271.360 3.590 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1NCc1cc(C#N)ccc1F 766213048 CKTPAOUIGDAMFS-IAQYHMDHSA-N 260.356 3.612 30 20 CHED Cn1cnc2cc(/C=C3/Cc4cc(F)ccc4C3=O)ccc21 761206223 SCADSDJNSSNIFV-MLPAPPSSSA-N 292.313 3.535 30 20 CHED Fc1ccc(NN=C2CCCc3ccc(F)cc32)nc1 776186924 YVCQOGCAAYHRSM-UHFFFAOYSA-N 273.286 3.512 30 20 CHED O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccnc(Cl)c1 779459451 AQQZHCYKJFZJQH-AATRIKPKSA-N 288.690 3.539 30 20 CHED C[C@H](Sc1ccc(Cl)cc1)C(=O)OCC1(C#N)CC1 775839810 VXAMASPBSIBBLH-JTQLQIEISA-N 295.791 3.668 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(N(C)C)cc1 776801377 WWFGTBSHUNIEMY-OAHLLOKOSA-N 293.414 3.784 30 20 CHED CCOc1ccccc1C(C)=NNc1cc(Cl)ccn1 777913742 QIZNDPXPHYEKHI-UHFFFAOYSA-N 289.766 3.970 30 20 CHED C#CCCCOC(=O)c1nc(C)sc1-c1ccccc1 778857014 CVHJJNFGFVUSJB-UHFFFAOYSA-N 285.368 3.689 30 20 CHED C[C@H](OC(=O)Cc1ccccc1CC#N)c1ccc(F)cc1 777167551 ORNNUGUPARRQAR-ZDUSSCGKSA-N 297.329 3.739 30 20 CHED C[C@@H](CCC#N)CNc1ccc(OC(F)(F)F)c(C#N)c1 877499083 LGEBURRBBILPDB-JTQLQIEISA-N 297.280 3.809 30 20 CHED C=CCCOCCCCC(=O)Oc1cccc(F)c1F 776209515 YCHSRDXMNSZFHW-UHFFFAOYSA-N 284.302 3.633 30 20 CHED C=CCCCC(=O)Nc1ccc(C(=O)C(F)(F)F)cc1 870745500 HKRZUDOCEYRSFV-UHFFFAOYSA-N 285.265 3.726 30 20 CHED C#C[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 773598826 OPGAUKHUPBMTCM-PBHICJAKSA-N 298.430 3.852 30 20 CHED CCn1nc(C)c(/C=C2/CCc3ccc(F)cc3C2=O)c1C 776193889 WDWFEKZDJKWVKU-ZROIWOOFSA-N 298.361 3.871 30 20 CHED CCCCCCCS(=O)(=O)Cc1ncc(Cl)s1 774718964 NOOYEVSUPYSMJU-UHFFFAOYSA-N 295.857 3.682 30 20 CHED C#CCN(Cc1ccccc1O)[C@@H]1CCc2ccccc21 772600748 YOPFHSKQUFKXGT-GOSISDBHSA-N 277.367 3.515 30 20 CHED Cc1cc(C)cc(NC(=O)c2ccc(F)c(C#N)c2)c1 75913910 LAAJCJJFDYLYKY-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)C1CCSCC1 777440851 OEBYWGPNXQBHSF-UHFFFAOYSA-N 293.392 3.834 30 20 CHED Cc1ccc(COC(=O)c2ccc(C#N)c(Cl)c2)cc1 777780965 UUVHFQQZXCLMRQ-UHFFFAOYSA-N 285.730 3.877 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 775012699 GXVYVQCLLYGNJI-AWEZNQCLSA-N 275.392 3.546 30 20 CHED CCCCCCCC(=O)Nc1ccc(CC(=O)OC)cc1 889417581 GGYGAGPQBAVIQD-UHFFFAOYSA-N 291.391 3.701 30 20 CHED C=C1CCC(C(=O)OCc2nnc(-c3ccccc3)o2)CC1 885649628 DQZBADZAYOGZQU-UHFFFAOYSA-N 298.342 3.526 30 20 CHED CCCCCOc1ccc(C=NOC[C@H]2CCOC2)cc1 788039244 PXYYIELWBKVFHF-INIZCTEOSA-N 291.391 3.643 30 20 CHED C=CCOCC(=O)O[C@H](C)c1ccc(C(C)C)cc1 783457412 XPLYBDLEJXADJU-CYBMUJFWSA-N 262.349 3.617 30 20 CHED Cc1ccc(CON=C2CCC2)cc1Br 783557290 ZSZUOYCAVXZNJB-UHFFFAOYSA-N 268.154 3.814 30 20 CHED Cc1cc(F)ccc1CON=Cc1cccc(F)c1 784046156 KXGMXQVNOOVWBD-UHFFFAOYSA-N 261.271 3.824 30 20 CHED COc1ccc2c(c1)O/C(=C\c1scnc1C1CC1)C2=O 782342675 RHCXZBLXTXSLIR-QPEQYQDCSA-N 299.351 3.645 30 20 CHED CC(C)C(C)(C)C(=O)OCc1cn2ccccc2c1C#N 784326506 YVONVYJRGPTGIJ-UHFFFAOYSA-N 284.359 3.536 30 20 CHED CC(C)(C#N)CC(=O)OCc1ccc(SC(F)F)cc1 782587346 VDRZLHVROAPVHM-UHFFFAOYSA-N 299.342 3.984 30 20 CHED CC(=NNc1ncncc1Cl)c1ccc2ccccc2n1 780281666 PKFJZVTWKXUVOT-UHFFFAOYSA-N 297.749 3.514 30 20 CHED CC(Cc1ccc(Cl)cc1)=NN[C@@H]1CCOC(C)(C)C1 780250515 JRYIEKPMWNVIEI-OAHLLOKOSA-N 294.826 3.806 30 20 CHED C=CCCN(C)C(=S)Nc1cccc(Cl)c1C 786084585 XVBVJBSHCNMYEK-UHFFFAOYSA-N 268.813 3.853 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1nnc(-c2ccccc2)n1C 783828678 VZOGLKPPUPTKAO-UKRRQHHQSA-N 297.406 3.706 30 20 CHED CCCCc1nnc(S)n1N=C[C@H]1CCC[C@H](CC)C1 783798917 KUBNJSKZHJYINN-STQMWFEESA-N 294.468 3.960 30 20 CHED N#C[C@H]1CCCN(c2ncc(-c3ccccc3)s2)C1 895651244 WADDPAYWTUTHBX-GFCCVEGCSA-N 269.373 3.550 30 20 CHED O=C(/C=C/c1cc2cc(F)ccc2o1)c1cncs1 787171513 AIPMLPLLPHGZHU-NSCUHMNNSA-N 273.288 3.925 30 20 CHED N#CC1(CCCC[S@](=O)C2CCCCC2)CCC1 899281223 XXWFXQNHDVZCPG-SFHVURJKSA-N 267.438 3.932 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 398131640 VWNQTOBZLOOHHG-LSDHHAIUSA-N 296.455 3.720 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCS2)c(C(F)(F)F)c1 301622341 YLFFEVLMENKDIK-JTQLQIEISA-N 286.322 3.885 30 20 CHED CC(=NNc1ncccc1F)c1ccc(Cl)s1 794986072 YIEAQPQQZZJQIP-UHFFFAOYSA-N 269.732 3.772 30 20 CHED Cc1cccnc1NN=C1CC2(CCC2)Oc2ccccc21 790191136 RXXKUMBVWRWVPB-UHFFFAOYSA-N 293.370 3.911 30 20 CHED CCc1onc(C)c1/C=C1\Cc2c(F)cccc2C1=O 899350950 VDFCPUABHDCFAR-JXMROGBWSA-N 271.291 3.507 30 20 CHED Clc1cccc(Cl)c1CCC=NNc1cnccn1 790153770 JPIWHMQMJAOPTF-UHFFFAOYSA-N 295.173 3.814 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NNc1cccc(F)n1 795009118 XDVXLSOSPJNUDG-UHFFFAOYSA-N 294.333 3.635 30 20 CHED CCCCCCCCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 743248521 WGOSRMDLHBRNNB-GASCZTMLSA-N 277.408 3.688 30 20 CHED CC(=NNc1ccc(Br)cc1)c1cnoc1C 799476993 ZDUSJEGNGZJNIK-UHFFFAOYSA-N 294.152 3.582 30 20 CHED CC[C@H](C)NN=Cc1cnc(-c2ccccc2)s1 790182340 JEEGGANTVDRMRG-NSHDSACASA-N 259.378 3.532 30 20 CHED C=CCCCC(=O)OCc1ccc(OCC2CC2)cc1 791988584 GDJWGJUSRCSOAS-UHFFFAOYSA-N 274.360 3.875 30 20 CHED C[C@@H]1CSCC1=NNc1ccc(Cl)c(F)c1 794914869 NNNAHVKLPZCZBS-SSDOTTSWSA-N 258.749 3.630 30 20 CHED N#Cc1csc(/C=C2/CCc3ccc(O)cc3C2=O)c1 794960523 UPRAIWSMLANOBO-SDQBBNPISA-N 281.336 3.538 30 20 CHED C=CCCCCC[C@H](C)NCc1nnc2n1CCCCC2 793517374 NAGXBXSJZMMQBL-HNNXBMFYSA-N 290.455 3.619 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cncc(Br)c1 568276765 OZVFUUKJOAFILX-ZWNOBZJWSA-N 283.213 3.849 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1oc2ccccc2c1C 797950071 LKPLZLDHVXZUHL-UHFFFAOYSA-N 295.294 3.871 30 20 CHED C=CCNN=C(C)c1ccc(SC)cc1Cl 794994187 NLDYCAKGLKGNHB-UHFFFAOYSA-N 254.786 3.562 30 20 CHED CCc1cccc(C)c1NN=Cc1cc(C)ns1 799491494 GTQNWPHNQCOWKZ-UHFFFAOYSA-N 259.378 3.768 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](CC)c1ccc(F)cc1F 791072571 DDAISVPYVGIFGS-IUODEOHRSA-N 294.345 3.517 30 20 CHED Cc1cc(F)c(F)cc1OC(=O)/C=C\c1ccccc1C#N 791411152 ZBRLHQXOMXXVON-SREVYHEPSA-N 299.276 3.764 30 20 CHED CN(CCC#N)c1ccc(C=NNCC2(C)CCCC2)cc1 793085094 YDXPAMPSNDRDEZ-UHFFFAOYSA-N 298.434 3.540 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2C#N)oc1C 799897991 UVMSBGMZHCBOTL-FPLPWBNLSA-N 251.285 3.664 30 20 CHED CC[C@H](C)NN=C(C)[C@H](C)c1ccc(OC)c(OC)c1 794535861 QJBGSYHMOLHXKA-RYUDHWBXSA-N 278.396 3.571 30 20 CHED CCO[C@H]1CC(=NNc2cccc(F)n2)C1(CC)CC 795009172 XMDDESGOHFIFJF-LBPRGKRZSA-N 279.359 3.604 30 20 CHED C#Cc1ccc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc1 797406555 CYZJEXDDGYEZIB-HRCADAONSA-N 283.371 3.579 30 20 CHED N#Cc1ccc(Oc2ccc(F)cc2F)cc1[N+](=O)[O-] 94593425 OCJHTLPAAXNNIY-UHFFFAOYSA-N 276.198 3.537 30 20 CHED CSc1cc(Oc2ccccc2C#N)nc(SC)n1 1306915326 ZAILLZDLQURFIH-UHFFFAOYSA-N 289.385 3.584 30 20 CHED Cc1ccc(C[C@H]2CCCN([C@@H](C)CCC#N)C2)cc1 1307441351 DGCNNJMDGVGFJV-FUHWJXTLSA-N 270.420 3.942 30 20 CHED Cc1cc(Oc2ccc3cccnc3c2)ncc1C#N 1163200119 LWVPVJHAMASDDW-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CCCOc1cccc(NC(=O)CC#Cc2ccccc2)c1 1323858056 VUSLCNLATPOLNT-UHFFFAOYSA-N 293.366 3.856 30 20 CHED COc1cc(O)ccc1/C=C1/CCc2ccc(F)cc2C1=O 1320647904 DYNHHMNUBWNZAF-JYRVWZFOSA-N 298.313 3.752 30 20 CHED CC(C)(C)n1cc(CSCCCCC#N)cn1 1327693252 UDDFTMTVCFITCN-UHFFFAOYSA-N 251.399 3.565 30 20 CHED O=C(CC#Cc1ccccc1)Nc1nc2ccsc2s1 1252962140 DWRLKFIPKSKZGU-UHFFFAOYSA-N 298.392 3.738 30 20 CHED CC1(C#N)CCC(=NNc2ccc(C(C)(C)C)nn2)CC1 1325317502 BOSYOSBDGBMKQK-UHFFFAOYSA-N 285.395 3.646 30 20 CHED Cc1c([C@@H](C)Nc2ccc(OCC#N)cc2)cnn1C(C)C 1255574045 MOUQVHHCMWLOFZ-CYBMUJFWSA-N 298.390 3.848 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@H](C)Sc1ccc(F)cc1 1344581058 WDRKVXXCEFKIIS-JQWIXIFHSA-N 281.352 3.542 30 20 CHED C[C@@H]1CCc2nc(C=NOCc3ccccc3)sc2C1 1330310538 KXUDKCLRRROSSW-GFCCVEGCSA-N 286.400 3.819 30 20 CHED CC(C)(C)ON=Cc1ccccc1OCc1ccncc1 1336227701 JRGBUZYYUVUVHD-UHFFFAOYSA-N 284.359 3.810 30 20 CHED C=CCC[C@@H]1CCCN1c1ncc(C#N)cc1Cl 1337325394 OXQTVTILVIXTKA-GFCCVEGCSA-N 261.756 3.542 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cccc2ccsc12 1338328144 JIEBYPLXLNLXKQ-LBPRGKRZSA-N 272.373 3.666 30 20 CHED CC[C@@H](C)c1ccc(C(=O)[C@H](C#N)c2nccn2CC)cc1 1263617014 QGPKWBZYRXFBHP-CJNGLKHVSA-N 295.386 3.907 30 20 CHED CCCCCCCC(=O)N(C)c1ccc(C#N)cc1 103772893 KUPZZWAZDWWFNM-UHFFFAOYSA-N 258.365 3.882 30 20 CHED CCCCCCCC(=O)N1c2ccncc2C[C@H]1C 1347241933 MSEGBJHTWLFMIL-CYBMUJFWSA-N 260.381 3.720 30 20 CHED C=C(C)CCC(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1262788905 RJNWVDVUKKVFGH-YOEHRIQHSA-N 284.403 3.970 30 20 CHED CC(C)c1ncsc1NC(=O)c1ccc(C#N)cc1F 1272903251 QCAJAIMPELFNJG-UHFFFAOYSA-N 289.335 3.530 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@]1(C)CCCC[C@H]1C 1528074798 SKAMHTJSVVRSHE-DYVFJYSZSA-N 270.376 3.565 30 20 CHED CC1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCCCC1 1527337291 SOUUTRICLPTPEZ-UHFFFAOYSA-N 290.794 3.912 30 20 CHED C[C@H]1CCCC[C@H]1CN1CCN(c2ccccc2C#N)CC1 1459413019 LXJMEGBZHOPMBT-WMZOPIPTSA-N 297.446 3.507 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2sccc2C#N)CC1 1523533201 VJNZIZBPLCMOHD-GXTWGEPZSA-N 290.432 3.954 30 20 CHED CC(C)[C@H](CN[C@@H](C)CC(C)(C)C#N)C(=O)OC(C)(C)C 1462386580 KJNXOKDHNPFSBI-KBPBESRZSA-N 296.455 3.518 30 20 CHED Cc1ccc(CC(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1Cl 1535479431 RFVKGXLUPLQAKF-UONOGXRCSA-N 291.778 3.817 30 20 CHED N#Cc1cc2ccccc2nc1NCC1CCSCC1 226800925 JHQRJOGCBKHBDV-UHFFFAOYSA-N 283.400 3.662 30 20 CHED C=C(CNCc1ccc2[nH]ccc2c1)c1ccccc1 1473982456 OCTVIZQUDULDCT-UHFFFAOYSA-N 262.356 3.971 30 20 CHED C=C(Br)CNCc1cccc(CCC)c1 1620779746 NHWWFRPHOIGOIV-UHFFFAOYSA-N 268.198 3.637 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1cc(F)c(C#N)c(F)c1 1623960677 SJFHZGRFEMQENK-LLVKDONJSA-N 294.345 3.781 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(Sc3ccccn3)o2)C1 1560512372 VBVDFTBGMIMQPH-QWHCGFSZSA-N 299.399 3.608 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccn1 1566199615 TXTGYYIHWNSCKV-OAHLLOKOSA-N 293.370 3.784 30 20 CHED Cc1ccccc1SC[C@@H](C)CN1CC[C@](F)(C#N)C1 1642732261 URNNBZNDSIJCTB-BBRMVZONSA-N 292.423 3.661 30 20 CHED N#Cc1cc(Sc2ncc(-c3ccc(F)cc3)[nH]2)ccn1 1641995818 MYEMNODLXHBYMQ-UHFFFAOYSA-N 296.330 3.634 30 20 CHED N#Cc1cccc(SCC(=O)CCc2ccccc2)c1 1651840347 KOOFVKZYENNSNR-UHFFFAOYSA-N 281.380 3.852 30 20 CHED Cc1cc2c(NC(=O)CC3CCCCC3)n[nH]c2cc1C#N 1583605905 ILFFJSAOMRTEBR-UHFFFAOYSA-N 296.374 3.652 30 20 CHED COc1ccc(CN(CC2(CC#N)CC2)[C@H](C)C2CC2)cc1 1657038070 XLHMMNQHYVHPLE-OAHLLOKOSA-N 298.430 3.990 30 20 CHED C[C@H](NC(=O)NCc1cccc(C#N)c1)C1CCCCCC1 1675351996 YJMIWTJLZLPFGO-AWEZNQCLSA-N 299.418 3.716 30 20 CHED COc1cc(C(=O)O)ccc1/C=C\C(=O)c1cccc(C)c1 1776127327 PPFUUKAGJOXWDO-HJWRWDBZSA-N 296.322 3.598 30 20 CHED CCCCCC[C@H]1CCCC1=NN[C@@H](CC)C(=O)O 1776065871 WNZWAWPVVDSTMS-STQMWFEESA-N 268.401 3.566 30 20 CHED CCCCCCCC(=O)N[C@H](C)C[C@H](O)c1ccccc1 161727989 KKJGAVAJSRSDLU-WBVHZDCISA-N 291.435 3.975 30 20 CHED CCCC[C@H](NC(=O)CCc1ccc(C#N)cc1)C1CCC1 158503713 FIQTUCZDRKOFRV-SFHVURJKSA-N 298.430 3.966 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)c(C)c1 152679245 RTTCOFXATMACSW-AATRIKPKSA-N 268.312 3.611 30 20 CHED C#CCCCNC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 186936571 ODPVICNBBAHYQB-QGZVFWFLSA-N 284.403 3.510 30 20 CHED C=C(C)COCCNCc1cccc2ccccc12 125798350 KONASOGTRLADEH-UHFFFAOYSA-N 255.361 3.522 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2nc(C)sc2C)c1 825226422 GYXACMUWSJEACR-NSHDSACASA-N 270.401 3.592 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](N)[C@H](C)C1 832737301 RIBYIDFSVQPYDI-HZPDHXFCSA-N 282.472 3.713 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 136258649 DCNQYASUTIYUOK-CZUORRHYSA-N 264.413 3.601 30 20 CHED CC[C@H]1c2ccsc2CCN1C(=O)C1(C#N)CCCC1 251991482 JFOCHNIUFICKNF-ZDUSSCGKSA-N 288.416 3.668 30 20 CHED CCCCCCCCCCn1cnc(C#N)c1C#N 156273042 PTECHSXUNOYNPI-UHFFFAOYSA-N 258.369 3.767 30 20 CHED CN(c1c(C#N)cnc2ccccc12)C1CCCCC1 36913198 PTUOJMFDRQKEIB-UHFFFAOYSA-N 265.360 3.875 30 20 CHED CC[C@@](C)(O)CN(CCC(C)(C)C#N)Cc1ccccc1 275894991 QVPBNINCUUTMHY-GOSISDBHSA-N 288.435 3.589 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)Cc1ccccc1 466367432 USDIOIXUZOVKMF-OAHLLOKOSA-N 260.381 3.573 30 20 CHED C=CCCNc1cccc(I)c1C 300774025 KHWFARFBGBMKSZ-UHFFFAOYSA-N 287.144 3.588 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1Nc1ncccc1C#N 301889542 QPHYAWCXFXVKOW-BLLLJJGKSA-N 263.344 3.689 30 20 CHED N#Cc1ccc(Oc2ccc(Cl)c3ccccc23)nn1 301951109 ZZAGQTSAQICTFM-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CN(c1ncc(C#N)cc1Cl)C1CCCCCC1 513603205 NGCCYSQESNHFBC-UHFFFAOYSA-N 263.772 3.766 30 20 CHED Cc1cc(C(C)(C)C)ccc1Oc1ncncc1C#N 312661958 VWLXIIWTLRGFNT-UHFFFAOYSA-N 267.332 3.747 30 20 CHED CC[C@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 610131722 JYBMXIHUCWBDNH-CMPLNLGQSA-N 263.772 3.987 30 20 CHED CCc1ccc2nc(-c3ccc(C#N)cc3F)[nH]c2c1 533910395 NERRWXVMVTVKRR-UHFFFAOYSA-N 265.291 3.803 30 20 CHED Cc1cc(C(=O)N(C)c2ccc(C#N)cc2)sc1C 87567116 UOKIAVAATKZLHW-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CCC[C@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 438543371 ZJORBJXNYBFVOH-AWEZNQCLSA-N 272.392 3.579 30 20 CHED COCC1(CNc2ncc(C#N)cc2Cl)CCCCC1 357820603 UBMLBPLWWZDGNE-UHFFFAOYSA-N 293.798 3.615 30 20 CHED N#CCCCCNC(=O)CCc1cc(Cl)cc(Cl)c1 360499368 GFPLFCSJGHIYHG-UHFFFAOYSA-N 299.201 3.736 30 20 CHED C=CCC[C@H](C)NC[C@@H]1CCC2(CCCCC2)O1 477869836 YJAAFWXAFGGVGT-GJZGRUSLSA-N 251.414 3.813 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(OC)cc1F 393816837 YDRPWEDFOCIZDX-RYUDHWBXSA-N 251.345 3.840 30 20 CHED CSc1ccccc1C(=O)N1CCC(CCC#N)CC1 399364413 RMSJLRGFMNHGDG-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CC(=NOCc1ccccc1)c1cc(F)ccc1F 839421864 PJKDFCDKHYDJCD-UHFFFAOYSA-N 261.271 3.906 30 20 CHED COc1cccc2cc(C(=O)Nc3ccccc3C#N)oc12 8960445 XEFZDRDDHNVQQB-UHFFFAOYSA-N 292.294 3.565 30 20 CHED Cc1cccnc1[C@H](NCc1ccc(C#N)cc1)C(C)C 172037861 ADUIUJXINWJLNS-QGZVFWFLSA-N 279.387 3.749 30 20 CHED CCc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1 172032131 SJADYBGGPPKZRR-MRXNPFEDSA-N 298.773 3.897 30 20 CHED C#CCN(CCCC(C)(C)C#N)Cc1ccc(F)cc1 174835056 STYFXDZRBNPRFR-UHFFFAOYSA-N 272.367 3.591 30 20 CHED COCCOc1ccc(/C=C/C(=O)c2ccccc2C)cc1 107099232 GYUJGYSABFMZPV-FMIVXFBMSA-N 296.366 3.916 30 20 CHED N#CCc1ccc(NC(=O)C=C2CCCCC2)cc1 65769494 VNLQOBATALLECM-UHFFFAOYSA-N 254.333 3.582 30 20 CHED C=CCC[C@@H](NC[C@H]1CCCCO1)c1ccccc1 178757940 UDGGQJMGXJXOSZ-IAGOWNOFSA-N 259.393 3.853 30 20 CHED C[C@@H](Oc1ccc(F)c(F)c1)c1ccc(C#N)cc1 172319244 ZVKICUOXNPEWJL-SNVBAGLBSA-N 259.255 3.976 30 20 CHED C[C@H](NCc1cccc2cccnc12)c1cccc(C#N)c1 174431894 OEIPQRZZIHWULU-AWEZNQCLSA-N 287.366 3.957 30 20 CHED C=C(C)CCOC(=O)c1nc(-c2ccco2)sc1C 174807308 HWQVBNDFIPIQDY-UHFFFAOYSA-N 277.345 3.835 30 20 CHED N#C[C@H](OC(=O)c1ccc(-c2ccccc2)cc1)C1CC1 177031006 HOMNDTCPGZWWIF-KRWDZBQOSA-N 277.323 3.813 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)nc1 302485671 IBBAZKCYTQTYDI-DOTOQJQBSA-N 277.371 3.777 30 20 CHED Cc1ccsc1C(=O)N[C@@H](C#N)c1ccccc1Cl 172028900 JBBIDAIVLGKSHB-LBPRGKRZSA-N 290.775 3.705 30 20 CHED C/C(=N\OCc1noc(C2CC2)n1)c1cc2ccccc2o1 171729464 YBRHHPCBYQGULG-VCHYOVAHSA-N 297.314 3.634 30 20 CHED C=CCNC(=O)CS[C@H](C)c1ccc(F)c(Cl)c1 60517002 FEIZSYWTZCLZIZ-SECBINFHSA-N 287.787 3.576 30 20 CHED Cc1cc(F)ccc1C(=O)N(CCC#N)CC(C)(C)C 124110197 GAUWJIWXMFCAEI-UHFFFAOYSA-N 276.355 3.536 30 20 CHED C=CCCCC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 175230020 WDKKIPHBUPWFSL-KRWDZBQOSA-N 273.376 3.619 30 20 CHED CC(C)c1cccc(Oc2nccc(C#N)c2[N+](=O)[O-])c1 301671608 ZDZGAZMNUJJWSP-UHFFFAOYSA-N 283.287 3.777 30 20 CHED C=CCCSc1nc2sc(C)c(C)c2c(=O)n1CC 303749556 BLAVVUJXQZGNOO-UHFFFAOYSA-N 294.445 3.763 30 20 CHED C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(F)cc1C#N 128973913 XCYCCVWRLDMMPB-IINYFYTJSA-N 290.363 3.683 30 20 CHED N#Cc1ccc(OCCN[C@H](c2ccccc2)C2CC2)cc1 120206773 VXWUDRFHKUMAPE-LJQANCHMSA-N 292.382 3.678 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H](C)c2ccc(C)cc2)cc1 304759530 RHSLGYWZVYRHFH-OAHLLOKOSA-N 281.403 3.834 30 20 CHED N#Cc1ccccc1SCCOCC(F)(F)C(F)F 189043066 WOLLTCQEEYVBPR-UHFFFAOYSA-N 293.285 3.567 30 20 CHED CC[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 74918499 OYRAQIZDYNUYNK-GJZGRUSLSA-N 299.418 3.841 30 20 CHED CCCN(CC#N)C(=O)c1ccc(-c2ccc(C)o2)s1 180893286 QGXJPFMIDWDQIL-UHFFFAOYSA-N 288.372 3.692 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)CSc2ccc(F)cc21 186391628 MYYHNRRCEFKRPU-YHYXMXQVSA-N 289.306 3.732 30 20 CHED CC(C)C[C@@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 506083072 JSYNIGJLLXSXLE-SNVBAGLBSA-N 279.771 3.768 30 20 CHED C=C[C@H]1CCCCN1Cc1csc(C(C)(C)C)n1 489410961 VKHXZEXZSYVAQM-ZDUSSCGKSA-N 264.438 3.981 30 20 CHED C=CCCCCCn1ccnc1C(=O)c1ccccc1 506688138 FNLMDMZEJSIZAD-UHFFFAOYSA-N 268.360 3.861 30 20 CHED CCCOc1ccc(NC(=O)C2(C#N)CCCC2)c(C)c1 79246744 GSFBLTAMNPNTNJ-UHFFFAOYSA-N 286.375 3.806 30 20 CHED C=C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 412050582 YWTQENDXJMOFSH-UHFFFAOYSA-N 288.778 3.922 30 20 CHED Cc1cc(C#N)ccc1CN(C1CC1)[C@H](C)C1CC1 186169655 DDHTZDRRSPBDTQ-CYBMUJFWSA-N 254.377 3.630 30 20 CHED CCN(CC)[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 185754609 ODIYMQIWIVEITD-YTQUADARSA-N 299.462 3.741 30 20 CHED C#Cc1cccc(NC(=O)c2cccc3ccc(C)nc23)c1 78075912 VSLWWFGCLPABDB-UHFFFAOYSA-N 286.334 3.777 30 20 CHED CCCOc1cccc(C(=O)OCc2ccc(C#N)cc2)c1 71963512 MHRBZVPPEMEZTJ-UHFFFAOYSA-N 295.338 3.704 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C=C\c1ccsc1 213152195 ZYJLBJCZSNCBKW-XQRVVYSFSA-N 299.351 3.637 30 20 CHED Cc1cc(C#N)ccc1CNC1(c2cccc(F)c2)CC1 186322460 FTJRZQLMOSBVIZ-UHFFFAOYSA-N 280.346 3.785 30 20 CHED C#Cc1cccc(NC(=O)N(C)Cc2ccc(C)s2)c1 76501800 DMXLPFGOCMSGBY-UHFFFAOYSA-N 284.384 3.702 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl 506850170 WVKSWFPIDVUUBB-YPMHNXCESA-N 290.794 3.768 30 20 CHED N#CCCCCNCc1ccc(SC(F)F)cc1 180931732 UIZGNCUFYIXOJF-UHFFFAOYSA-N 270.348 3.785 30 20 CHED C=CCC[C@H](N[C@H]1C[C@@H](OC)C12CCC2)c1ccco1 414197357 VQIYJFUSPNZOAE-CWRNSKLLSA-N 275.392 3.834 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC(=O)c3ccccc32)CCCC1 416192939 QWFHWJQTBHOUIQ-OAHLLOKOSA-N 283.371 3.567 30 20 CHED COc1ccccc1C(C)(C)NCc1ccc(C#N)cc1C 186289853 KRUONYJHBPJJBX-UHFFFAOYSA-N 294.398 3.900 30 20 CHED N#CCCSCc1ccc(CN2CCCCC2)cc1 413013738 HPCYHGBQCGUFID-UHFFFAOYSA-N 274.433 3.819 30 20 CHED C=CCC1(C(=O)N[C@H](C#N)c2ccccc2F)CCCC1 410637036 BJPWZKCKLLUFGI-OAHLLOKOSA-N 286.350 3.643 30 20 CHED C=CCOCCCC(=O)N[C@@H](CC(C)C)c1ccccc1 79399661 PEXOLMWUXRZWDK-KRWDZBQOSA-N 289.419 3.873 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Br)cnc1C 453003847 SGWZSEZLTUXERI-UHFFFAOYSA-N 297.196 3.693 30 20 CHED CC(C)(CC#N)CN[C@H]1CC(C)(C)Cc2occc21 414166356 NKGGUXJSRHVDTK-ZDUSSCGKSA-N 260.381 3.823 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1 504564113 TVUNCGPAIAKNSN-XNISGKROSA-N 276.424 3.647 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1CCCN1Cc1ccccc1 174397006 MREHBIJLBVPIRO-SFHVURJKSA-N 299.462 3.571 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccccc1 412930795 NZWAOCDBLYDSPE-FVQBIDKESA-N 281.355 3.612 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1nc2c(s1)CCCC2 414168457 QRPVRHOUQAPNJD-LLVKDONJSA-N 277.437 3.612 30 20 CHED C[C@H](CC(O)=Nc1nncn1C1CC1)C1CCCCC1 329093166 ALHXHJJMEZUXFJ-LLVKDONJSA-N 276.384 3.808 30 20 CHED C#CCCCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 192149129 ZBCXORUDPPGVJA-UHFFFAOYSA-N 296.197 3.682 30 20 CHED CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(C#N)c1 45395481 RVWZXXDKXTXYHM-UHFFFAOYSA-N 298.773 3.874 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1cccc(N2CCCC2)c1 88758907 JTRAORFVHJJLSM-CQSZACIVSA-N 292.386 3.727 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C)cc(CN(C)C)c1 424761473 XXKUUEQOWIMINF-UHFFFAOYSA-N 274.408 3.597 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2(CC)CCCC2)cc1 515706383 NCYTUUNDWJSYEM-INIZCTEOSA-N 284.403 3.900 30 20 CHED CCC(CC)[C@@H]1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)CCO1 193272313 XEEIUIMHMQREEA-SVGFKBNWSA-N 278.440 3.642 30 20 CHED C[C@H]1OCC[C@]1(C)NC(O)=Nc1cccc2ccsc12 329581559 VEBFXPBZNXQPKZ-BMIGLBTASA-N 290.388 3.604 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 424664060 OGKFFGMTDSXTEM-SZVBFZGTSA-N 298.430 3.844 30 20 CHED C[C@@H](C#N)CNCCCCc1cccc(C(F)(F)F)c1 192719683 MVFVGMLIOGAUFW-LBPRGKRZSA-N 284.325 3.777 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC(C)(C)CCC#N 513113649 QNJPREDEKDSAPX-ILXRZTDVSA-N 291.439 3.679 30 20 CHED CCO[C@H](CCNCc1cccc(C#N)c1)C1CCCC1 80248718 KHUXQPLRODKVHL-GOSISDBHSA-N 286.419 3.633 30 20 CHED COCc1ccc(NC(=O)Nc2ccc(CC#N)cc2)cc1 193364469 FVKBUKNDWXLNRB-UHFFFAOYSA-N 295.342 3.543 30 20 CHED CC(C)CCCNC(=O)Nc1ccc(C#N)cc1Cl 426157671 WPJYCTPVTBVMSP-UHFFFAOYSA-N 279.771 3.769 30 20 CHED COc1ccc(CN2CCCc3ccccc32)cc1C#N 87833113 IUSLPOFXSSDLSV-UHFFFAOYSA-N 278.355 3.520 30 20 CHED N#C[C@@H]1CC[C@H](N2CCCn3c(cc4ccccc43)C2)C1 335815658 FJNMMUCLTVATBM-ZBFHGGJFSA-N 279.387 3.539 30 20 CHED Cc1nc(C/N=C(/O)c2cc[nH]c2C(C)C)sc1C 330610819 NXCZGJIIVLQJJA-UHFFFAOYSA-N 277.393 3.716 30 20 CHED Cc1nc(CN(CCC#N)CCC(C)C)sc1C 88603229 YAALXGNTXYXEFE-UHFFFAOYSA-N 265.426 3.522 30 20 CHED CCN(C[C@H](C)C#N)c1nc(C2CCCCC2)ns1 420596135 HBUTTWICFSAAGV-LLVKDONJSA-N 278.425 3.572 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)-c1ccccc1OC2 334808219 WSBRFYLJPOJNOA-UHFFFAOYSA-N 298.367 3.774 30 20 CHED N#Cc1cccc(COc2ccccc2OC(F)F)c1 179969884 VJRMVQGPUOIAOH-UHFFFAOYSA-N 275.254 3.739 30 20 CHED C=CCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 428379975 KNPQXUCOHLVTFE-UHFFFAOYSA-N 288.372 3.941 30 20 CHED CC(C)(C#N)CNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 425729726 XABQPLLYWREQSM-HNNXBMFYSA-N 299.418 3.719 30 20 CHED CC1(C)CCC([S@@](=O)Cc2cccc(C#N)c2)CC1 334319973 YXPZTZJWKYYQNY-IBGZPJMESA-N 275.417 3.776 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(C#N)cc1Cl 426124504 SLZOFEKKLDNHKK-NXEZZACHSA-N 279.771 3.768 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1nc2ccccc2s1 424571234 WVDAVLUNROGUAE-UHFFFAOYSA-N 274.389 3.515 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc2ncccc12 425394838 LSIMDCBGDJMOII-UHFFFAOYSA-N 254.333 3.776 30 20 CHED N=C(O)[C@@H]1CCCC[C@@H]1/N=C(/O)[C@H]1CC12CCCC2 330133297 LVVHBYVOHVAQGO-UTUOFQBUSA-N 264.369 3.617 30 20 CHED O=C(/C=C\c1cccc2c1OCO2)c1ccc(Cl)cc1 98008531 ZTCIEKFXSXQJGY-TWGQIWQCSA-N 286.714 3.965 30 20 CHED CCCCOCCSc1nc2c(cc1C#N)CCCC2 97506591 KPXYNWDAUGENKV-UHFFFAOYSA-N 290.432 3.741 30 20 CHED COc1cnc(N=C(O)c2scnc2C(C)(C)C)s1 330457303 OOLRBLZUOONQFI-UHFFFAOYSA-N 297.405 3.542 30 20 CHED N#CC1(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 336490363 YEVBVDDSXQRUIE-KRWDZBQOSA-N 279.387 3.999 30 20 CHED CC(C)[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 336581672 XEZIYCSKGBDWML-AWEZNQCLSA-N 299.418 3.998 30 20 CHED COc1cc(OCCCSCC(C)C)ccc1C#N 435805121 WQHPOKITLXOQDL-UHFFFAOYSA-N 279.405 3.725 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1sccc1C 338744807 NVWBJSJMHRJNHL-UHFFFAOYSA-N 251.395 3.617 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@@H](C)C1 345056340 HVHLVNYOEWZHHU-RHSMWYFYSA-N 284.403 3.731 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC[C@@](C)(c2ccc(C)cc2)C1 435469610 KHXSVGLVDFLFCI-CRAIPNDOSA-N 286.419 3.633 30 20 CHED COc1ccc(CN2Cc3cccc(Cl)c3C2)cc1C#N 347473252 YVFCSCPBDCNRBX-UHFFFAOYSA-N 298.773 3.736 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)CC1 437436528 CYHYEHBHAGNHRH-WKILWMFISA-N 269.388 3.795 30 20 CHED CC[C@H](C)[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 341685100 QNGZYUQRYIRBNE-AHIWAGSCSA-N 256.393 3.960 30 20 CHED Cc1ccnc(N(C)Cc2ccc(Cl)c(F)c2)c1C#N 343512304 OOZPHDCVJLSTHZ-UHFFFAOYSA-N 289.741 3.691 30 20 CHED C=CCN(C(=O)C1CCC(C(F)(F)F)CC1)C1CC1 436041493 PVQCDMKXEVYNBZ-UHFFFAOYSA-N 275.314 3.532 30 20 CHED N#CCCCCN[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 602542403 WZTRMPWJXPIFQL-HKUYNNGSSA-N 297.446 3.638 30 20 CHED N#CCc1ccc(C[S@](=O)c2ccc3c(c2)CCC3)cc1 342128199 KNRCIFNCBDCCNP-NRFANRHFSA-N 295.407 3.549 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCC23CCC(CC2)C3)cc1 527002854 DOJLMSZAXWCFDU-UHFFFAOYSA-N 296.414 3.798 30 20 CHED Cc1cc(CN2C[C@H](C)C[C@@H]2c2cccnc2)ccc1C#N 347218023 HPIAXWPTXIBXBQ-AUUYWEPGSA-N 291.398 3.845 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)C1 349339462 CXALVOKXHITRNU-UHIISALHSA-N 276.380 3.644 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCSc2c(F)cccc21 602512205 RTUDYKQCFPHTAR-SMDDNHRTSA-N 278.396 3.892 30 20 CHED CCc1ccccc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)CCC#N 346023516 VXOKNKQJGVEEPQ-SJORKVTESA-N 298.430 3.799 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 342386376 PENLLFQAJHFHAC-CQSZACIVSA-N 290.407 3.819 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@@H](C)c2ccco2)cc1 529352231 WIAHULSETGEOCG-CQSZACIVSA-N 299.370 3.654 30 20 CHED Fc1ccc(OCCCON=Cc2cccs2)cc1 255378498 GQXRHPKGEUSRGL-UHFFFAOYSA-N 279.336 3.707 30 20 CHED CC(=O)c1cc(NCc2ccc(C#N)cc2F)ccc1F 349705832 KMPGVHQGJVPKKT-UHFFFAOYSA-N 286.281 3.651 30 20 CHED CC(C)(C)C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccccc1 343135606 JRXVIAABCQOTFO-INIZCTEOSA-N 295.386 3.794 30 20 CHED CSc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1O 254873556 CAOTVJMYXLFNCO-UHFFFAOYSA-N 288.328 3.773 30 20 CHED C[C@H](CCC#N)CNCc1cc(Br)ccc1F 602506985 MHPDERUNSXQNQU-SNVBAGLBSA-N 299.187 3.618 30 20 CHED O=C(/C=C\c1c(Cl)nc2ccccn12)c1ccsc1 255065723 SXFHWLMUBSGTOC-PLNGDYQASA-N 288.759 3.945 30 20 CHED CCOc1cccc(/C=N\Cc2cccc(COC)c2)c1O 255194403 UHHMZEYKPCSCNF-UNOMPAQXSA-N 299.370 3.556 30 20 CHED COc1ccc(C(=O)/C=C\c2cccnc2Cl)c(F)c1 255292381 OKYHOTVRCXAIJN-DAXSKMNVSA-N 291.709 3.779 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCc2ncsc2C1 445873516 FHKFTOQFBWGJSH-UHFFFAOYSA-N 297.427 3.503 30 20 CHED Cc1ccccc1CN(C[C@H](C)CCC#N)C1CC1 602440134 JLPSGBUZFFVWOJ-CQSZACIVSA-N 256.393 3.899 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)[C@@]1(C#N)CC12CCCC2 449900666 VSRSGYCEOBUVID-GUYCJALGSA-N 276.424 3.791 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CCCCN1CCCCC1 603109704 FDNFAJREIPRXBR-KRWDZBQOSA-N 299.462 3.817 30 20 CHED C=C(CC)CSCC(=O)N(C)[C@@H]1CCCC[C@@H]1C 536882478 WPCVPXFKSWSGFY-UONOGXRCSA-N 269.454 3.723 30 20 CHED CCc1nnc(SCC=C(C)C)c(C#N)c1CC 447686285 DRLUKVBBAHHVNQ-UHFFFAOYSA-N 261.394 3.531 30 20 CHED CC[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 443510567 MZHFDSTUZGKMKF-LLVKDONJSA-N 297.324 3.989 30 20 CHED N#Cc1c(F)cccc1NCc1ccc2c(n1)CCCC2 443960686 KENFRCZTXOMZEG-UHFFFAOYSA-N 281.334 3.583 30 20 CHED Cc1ncc(Br)cc1N[C@@H]1CCC[C@H](C#N)C1 449526661 XDBCHIMTHZJZFH-CMPLNLGQSA-N 294.196 3.647 30 20 CHED CC(C)c1cnc(SCc2ccccc2C#N)n1C 267072886 SONCZCFELQCWOI-UHFFFAOYSA-N 271.389 3.707 30 20 CHED C=CCCCCNC(=O)Nc1cn(-c2ccccc2)nc1C 352901531 MHHUSPUHNFECTE-UHFFFAOYSA-N 298.390 3.659 30 20 CHED C=CCCCC[C@H](C)NCC[C@@H]1CCO[C@H](C)C1 449237535 BZKAWFNNRLFUQE-ARFHVFGLSA-N 253.430 3.916 30 20 CHED CC(C)CCn1cccc1CN1CCC[C@](C)(C#N)C1 612406524 ORLMDYGAZSPQHE-QGZVFWFLSA-N 273.424 3.660 30 20 CHED N#Cc1cc(F)c(CNc2cc3c(cn2)CCCC3)c(F)c1 359492165 HYYBQSMQNBRBIZ-UHFFFAOYSA-N 299.324 3.722 30 20 CHED C=CCC[C@H](CC)Nc1cccc(-c2nnc(C)n2C)c1 539733473 STVVKNBFANKZFI-HNNXBMFYSA-N 284.407 3.947 30 20 CHED C=CCOCCCSCc1ncccc1C(F)(F)F 359117142 LFURIJJIMOBGPW-UHFFFAOYSA-N 291.338 3.926 30 20 CHED C=CCCOCCCCc1nc(C2CCSCC2)no1 350869448 ZJEIBABLFKIGBH-UHFFFAOYSA-N 296.436 3.596 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC(C)(C)CC2)c1 455980299 FIRFJJLSJOKIKY-UHFFFAOYSA-N 271.364 3.521 30 20 CHED C[C@@H](NC(=O)c1cc2occc2s1)c1cccc(C#N)c1 610363689 YOZIDZDRCYQXHR-SNVBAGLBSA-N 296.351 3.857 30 20 CHED C=CCC(CC=C)C(=O)NCCCOC1CCCCC1 268170824 QALDXVSAXHJCBG-UHFFFAOYSA-N 279.424 3.610 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1csnn1)c1ccc(F)c(F)c1 450779500 OUNMXSUJRXLGPX-LKFCYVNXSA-N 295.358 3.784 30 20 CHED N#Cc1ccc(CN2CCCO[C@H](c3ccccc3)C2)s1 611268276 IXICSDQCFNBOSL-KRWDZBQOSA-N 298.411 3.583 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H](CCC)OC)c1ccc(F)c(F)c1 450717574 QDPXHDDTZUHJPS-LSDHHAIUSA-N 297.345 3.513 30 20 CHED CC(C)(C)CCCC(=O)N(CCC#N)Cc1ccco1 264059661 LGHBQVBYPOKFDQ-UHFFFAOYSA-N 276.380 3.738 30 20 CHED CCCCN(C(=O)c1c[nH]c(C#N)c1)[C@@H](C)c1ccc(C)o1 611471949 LKDDKNDFKDUKEY-ZDUSSCGKSA-N 299.374 3.791 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1CC1(C#N)CCC1 451149554 QDEOZONYAMGBGG-TUAOUCFPSA-N 274.330 3.732 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 452400756 VUXQRDSTUJLISO-JKSUJKDBSA-N 271.404 3.899 30 20 CHED Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1F 618742724 QIBFPYXYHFTJMN-GOSISDBHSA-N 280.346 3.783 30 20 CHED N#Cc1cnc(N[C@@H]2CCc3cc(C#N)ccc32)c(Cl)c1 618694399 CCLYTIMOAMVJIT-OAHLLOKOSA-N 294.745 3.578 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(SC)cn1 455105307 XMSUSMFSEUGHRP-UHFFFAOYSA-N 279.409 3.527 30 20 CHED N#Cc1nn(Cc2ccc(F)cc2Cl)c2ccccc12 543268299 HATGXWMLUDVYPH-UHFFFAOYSA-N 285.709 3.749 30 20 CHED C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccnc1 271932426 LVSLOESKNIUNLE-VXGBXAGGSA-N 269.323 3.504 30 20 CHED CSc1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)cc1 612295173 WOYJIBYCZGNTCK-OAHLLOKOSA-N 289.404 3.566 30 20 CHED C=CCCCc1nc(-c2ccccc2COCC)no1 544224171 DUXZTWSTZQYTOJ-UHFFFAOYSA-N 272.348 3.782 30 20 CHED CCO[C@@H](CC(=O)Nc1cccc(CC#N)c1)C1=CCCC1 456746165 HTYDDANLQVWPCX-KRWDZBQOSA-N 298.386 3.597 30 20 CHED C=CC[C@@H]1N(Cc2cnc(C3CC3)nc2)CCCC1(C)C 459511694 JDCPYBSNNWNDKH-INIZCTEOSA-N 285.435 3.921 30 20 CHED C=CCC1(C(=O)Nc2ccc(C#N)cc2Cl)CCC1 276713420 DTUGIEVYUZCKFG-UHFFFAOYSA-N 274.751 3.897 30 20 CHED COCC[C@H](Cc1cccc(F)c1)Nc1cccc(C#N)c1 545015434 ZVFQALZRRQSREV-GOSISDBHSA-N 298.361 3.757 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N[C@@H](C#N)C(C)C 362059525 SLGGKCXRJCIWSM-LBPRGKRZSA-N 296.823 3.730 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C(=O)C(C)C)cc1 455798855 PVZVDGVCHOYDHY-UHFFFAOYSA-N 274.364 3.565 30 20 CHED Cc1ccn(Cc2c(C)ccc3ccccc23)c(=O)c1C#N 545341001 XLNJHWOYWFPCIZ-UHFFFAOYSA-N 288.350 3.538 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccc(F)cc1Cl 276356373 XPJVYODDLYUMHP-ZJUUUORDSA-N 254.736 3.822 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H]3CCC[C@@H]32)c1C#N 541280612 VDMPENNMYBWIBT-FZMZJTMJSA-N 275.783 3.684 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1c(F)cccc1Cl 276305831 KXXPQDGCWQVEJC-VHSXEESVSA-N 254.736 3.822 30 20 CHED N#Cc1ncccc1N1CC=C(c2c(F)cccc2F)CC1 368186202 ZJBRIIJHJLOJPS-UHFFFAOYSA-N 297.308 3.525 30 20 CHED C#CC[C@@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccccc1 270226435 HWGXGTKFPSDJAR-KBXCAEBGSA-N 296.414 3.724 30 20 CHED C=CCCN(C)C(=O)c1cc(SC)ccc1Cl 276365680 JOJRTMCYQQRVKF-UHFFFAOYSA-N 269.797 3.710 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OC2CCC2)c(F)c1 276097639 NLILGJWLHBXGOX-UHFFFAOYSA-N 292.354 3.797 30 20 CHED C=CCCOCCCCC(=O)N(C)c1cccc(CC)c1 457322863 FYKWEVDALPCHKK-UHFFFAOYSA-N 289.419 3.975 30 20 CHED CCc1nc(C)c(COc2ccc(C#N)c(Cl)c2)o1 450902837 BBNHMANXHWFLQO-UHFFFAOYSA-N 276.723 3.650 30 20 CHED C=CCSCCN[C@@H](CC)c1ccc(C#N)cc1 278750128 NUSCSDHLVCCVFV-HNNXBMFYSA-N 260.406 3.518 30 20 CHED C[C@H](c1noc(-c2cccc(CC#N)c2)n1)C(C)(C)C 545713447 UBYXJNQDJJVZES-LLVKDONJSA-N 269.348 3.952 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](OCC)c1ccccc1 620861741 XUDXSAXOCAMHBB-OAHLLOKOSA-N 275.392 3.625 30 20 CHED C=C(C)COCCN[C@H]1C[C@H](c2ccccc2)C1(C)C 464079337 YPSSQNLILCNCLH-SJORKVTESA-N 273.420 3.751 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@H](c2ccco2)C1)c1ccccc1 371372211 FQCAUESQTCPWBT-RDJZCZTQSA-N 295.382 3.955 30 20 CHED C[C@H](N(C)c1ccc2cc(C#N)ccc2n1)C(C)(C)C 540078268 LGJCFBOVVKHCNC-LBPRGKRZSA-N 267.376 3.977 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 620858332 DXCXBZQGBWDYRQ-TZMCWYRMSA-N 293.357 3.929 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1c1ccc(C)cc1 460377937 VAWVBZNOVDLWNZ-QGZVFWFLSA-N 296.418 3.813 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccccc1C)C(C)C 467011620 AIHFUGDGLOMYPO-MRXNPFEDSA-N 274.408 3.910 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1cccc(OC)c1F 620856912 FRBCKJSOKTVHGX-UHFFFAOYSA-N 293.382 3.628 30 20 CHED C=CCCC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 372134427 QOJLSBLWZLUDSH-UHFFFAOYSA-N 293.357 3.712 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCOc2c(CC)cccc21 467945793 NOHXXGCBFVJMFX-QAPCUYQASA-N 287.403 3.791 30 20 CHED C=CCN(C)Cc1coc(-c2ccccc2C(F)(F)F)n1 639595414 HSWAVXUFLZMXRS-UHFFFAOYSA-N 296.292 3.978 30 20 CHED C[C@H](C(=O)N1C[C@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 462135160 GQQWALDPUSIBAT-ILXRZTDVSA-N 284.403 3.699 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](C)[C@@H]1CC 460805453 ROVSPJIHXGSMGY-HIFRSBDPSA-N 288.439 3.747 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 281454566 SRJWPPVSPXTVTM-LBPRGKRZSA-N 291.351 3.688 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc(OC)c1OC 553611970 NYINSFGTIOTKQE-CQSZACIVSA-N 277.408 3.928 30 20 CHED C=CCC[C@H](NCc1ccccc1[N+](=O)[O-])c1ccco1 285900142 CRLLULBCJCSLPL-AWEZNQCLSA-N 286.331 3.985 30 20 CHED N#Cc1cc(NCCC2CCOCC2)ccc1C(F)(F)F 385157569 SNHLKEYPAXVZNZ-UHFFFAOYSA-N 298.308 3.806 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)Cc1ccc(C)cc1 558979655 REOZXWCRVDKXCQ-UHFFFAOYSA-N 298.434 3.922 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCC[C@@H]1CCC)C1CC1 557217908 FFYGQZFYOSZIJA-DZGCQCFKSA-N 264.413 3.705 30 20 CHED CCOc1cccc([C@H](CC)OC(=O)CCCC#N)c1 291502684 OALGFAPOHUQKOH-HNNXBMFYSA-N 275.348 3.773 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ncccc1[N+](=O)[O-] 807977418 MIAUFBIJDUHIIC-SNVBAGLBSA-N 264.329 3.604 30 20 CHED C[C@]1(CNc2ccc(C#N)cc2)OCCc2sccc21 290627359 GTSHVYDAVNDGNV-MRXNPFEDSA-N 284.384 3.520 30 20 CHED Cc1nc(N2CCC(OC3CCCCC3)CC2)ccc1C#N 291736954 YHZGCDONSIJBAP-UHFFFAOYSA-N 299.418 3.580 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H](C(C)(C)C)C1 478444902 GOPWTAAMMDMVDU-CQSZACIVSA-N 274.408 3.572 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](C1CC1)C(F)(F)F 807570510 SUDCDZLDRFYAEN-LBPRGKRZSA-N 292.345 3.763 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCCN(C(C)C)C1)c1ccco1 567258011 DPDSAOPRBYXCLK-DLBZAZTESA-N 290.451 3.997 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 474897461 SYKDGPAFHQRJTB-ZDEQEGDKSA-N 299.867 3.668 30 20 CHED CC[C@H](CC#N)N[C@H](C)c1nc2ccccc2n1C(F)F 565843032 WUPFOZMSVZMVBP-GHMZBOCLSA-N 292.333 3.774 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(OCCC)cc1OC(C)C 477779493 OAKWOARMMUBUMV-ZDUSSCGKSA-N 291.391 3.567 30 20 CHED C=CCCC1(C(=O)Nc2cccc(OC(F)F)c2)CC1 474906662 MCWJZJYDSGOIAK-UHFFFAOYSA-N 281.302 3.973 30 20 CHED C=CCCCCNC(=O)CCc1cn(C)c2ccccc12 471710127 YICYJEAORUOHMD-UHFFFAOYSA-N 284.403 3.583 30 20 CHED C=CCC1(C(=O)N2CCCc3cc(OC)ccc3C2)CCC1 568580220 UPNZZUVGOAQEFI-UHFFFAOYSA-N 299.414 3.716 30 20 CHED CC(=NNc1ncccc1C)c1nccc2ccccc12 811649503 OPIYNPBWSNWLCX-UHFFFAOYSA-N 276.343 3.774 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)cc2C)cc1O 811699789 ZNJYEYLHQPQHLM-DAXSKMNVSA-N 286.302 3.744 30 20 CHED COc1ccc(-c2[nH]ncc2C=NNc2ccccc2)cc1 812371633 XVSSKIYUUYOFKO-UHFFFAOYSA-N 292.342 3.531 30 20 CHED Oc1ccc(/C=N/Cc2ccc3sccc3c2)c(O)c1O 811624574 JFNNDLPDCYAUEV-RQZCQDPDSA-N 299.351 3.637 30 20 CHED CCOc1cccc(/C=C2/Cc3ccc(C#N)cc3C2=O)c1 811693966 NAKCPJRLAUZXAA-PXNMLYILSA-N 289.334 3.779 30 20 CHED CC1(C)CC(=NNc2nc(C(F)(F)F)cs2)C1 814867474 GCYOVPPYDTVBLV-UHFFFAOYSA-N 263.288 3.750 30 20 CHED C=CC(C)(C)CNC[C@@H](O)c1ccc(Cl)cc1Cl 819345761 MUGTXTPRROVTKE-CYBMUJFWSA-N 288.218 3.829 30 20 CHED CC(C)(C)c1nc(CSc2cccc(F)c2C#N)no1 574748468 CQAKBCPORUEQRV-UHFFFAOYSA-N 291.351 3.670 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1C(C)(C)CC 489977527 AZTKRTGJHRFDDV-OAHLLOKOSA-N 274.408 3.715 30 20 CHED C=CC[C@H]1N(C(=O)CCc2cccnc2)CCCC1(C)C 574496853 OQFSBSRKHKJGRB-MRXNPFEDSA-N 286.419 3.608 30 20 CHED N#CC1(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)CCC1 571756795 TUQMJCMNASUGPE-DLBZAZTESA-N 296.414 3.770 30 20 CHED CCC(=NNC[C@H]1CCSC1)c1cccc(Cl)c1 811662832 VARLGRYFAVUCHH-LLVKDONJSA-N 282.840 3.797 30 20 CHED CCCCCCCOC(=O)c1ncoc1C1CC1 815324718 CIFCGCSAWWGHIY-UHFFFAOYSA-N 251.326 3.679 30 20 CHED CCOC(=O)c1ccc(NN=CCCC2CC2)cc1C 812228623 YNDJNBNJGJYELA-UHFFFAOYSA-N 274.364 3.760 30 20 CHED CCCCSCC(=O)Nc1sc(C)c(CC)c1C#N 727790462 JOTHHJZJNNSKFU-UHFFFAOYSA-N 296.461 3.962 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1nc2ccccc2s1 815621407 TYABDAGFBCGSHE-SECBINFHSA-N 296.342 3.685 30 20 CHED CCCC[C@H]1CCCC1=NNC(=S)Nc1cccnc1 727254067 NBMCODLOZWXGTI-LBPRGKRZSA-N 290.436 3.714 30 20 CHED C#Cc1cccc(N(C)C(=S)Nc2cc(C)ccc2F)c1 728447866 CTDNTLBZBCZBMR-UHFFFAOYSA-N 298.386 3.949 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(Br)cc1 815900464 DIWFRYMZLCCABA-UHFFFAOYSA-N 291.091 3.566 30 20 CHED C=C(C)CN1CCC(NCCC2CCCCCC2)CC1 575907085 XERREFROMFSTNY-UHFFFAOYSA-N 278.484 3.977 30 20 CHED C=CCc1cc(OCC)cc(CN(CC)CCC)c1O 727820228 CICKBNQHDFGAKH-UHFFFAOYSA-N 277.408 3.751 30 20 CHED CC/C=C(\C)C(=O)N(CCC#N)c1ccc(OCC)cc1 729250328 IKRMHFGULCDQMK-VGOFMYFVSA-N 286.375 3.688 30 20 CHED CCC1CCC(N(Cc2ccc(C#N)cn2)C2CC2)CC1 574824691 YBUZDQSLVSCSOY-UHFFFAOYSA-N 283.419 3.886 30 20 CHED C#CCOc1ccccc1CNC1CC(c2ccccc2)C1 729685441 BBKKOPXRVDZBPD-UHFFFAOYSA-N 291.394 3.734 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\C2CC(c3ccccc3)C2)c1 728226594 UTPWEZVLFMTYIL-WQRHYEAKSA-N 296.326 3.666 30 20 CHED C=CCC1(C(=O)N(CC)CCc2ccccn2)CCCC1 825389888 WEWLNFJOIMXIEA-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C=CCCNC(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 665941268 WDAKOGKBLSOMSF-HOTGVXAUSA-N 272.392 3.540 30 20 CHED CCCCCN(C(=O)C#Cc1cccs1)C(C)C 825378783 HSYRHRUJMORORC-UHFFFAOYSA-N 263.406 3.527 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NC1CCC2(CCCCC2)CC1 570642703 RCPVHMWVQDBARO-CXAGYDPISA-N 274.408 3.545 30 20 CHED C=C(C)COC(=O)C(C)(C)c1ccccc1Cl 729010563 ZHQSFSMDCDABLS-UHFFFAOYSA-N 252.741 3.737 30 20 CHED C=CCCC(=O)Nc1ccc(Nc2ccccc2)nc1 588103178 GAHXDYIWBIWWES-UHFFFAOYSA-N 267.332 3.730 30 20 CHED O=C1/C(=C/c2cccs2)CCc2ccc([N+](=O)[O-])cc21 588598477 FURCXOLWPSSODB-DHZHZOJOSA-N 285.324 3.869 30 20 CHED CC(C)CCN(CCC#N)CC[C@@H]1CC1(Cl)Cl 822664230 NACYXDGNKCJREL-GFCCVEGCSA-N 277.239 3.832 30 20 CHED C=C[C@@H](CC)CC(=O)NCC[C@]1(C)CC1(Cl)Cl 821761451 BZUXSDBYSDBXNZ-CMPLNLGQSA-N 278.223 3.679 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C#Cc1cccs1 826942342 IKSYHNGASCJMSP-PBHICJAKSA-N 295.407 3.504 30 20 CHED CCn1c(C)cc(C=NNCc2cc(F)ccc2F)c1C 728226515 RQARUNDTALYAJS-UHFFFAOYSA-N 291.345 3.527 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 586818048 PAFNDSOACNPMSE-CJNGLKHVSA-N 297.402 3.777 30 20 CHED C=CCCNC(=O)Nc1cnn(CCCC)c1C(C)C 666878201 SMULHGGRGFVLKR-UHFFFAOYSA-N 278.400 3.504 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C1\COc3ccc(F)cc31)C2 730949624 ZEXWGYJCCWTMFP-FOCLMDBBSA-N 280.298 3.719 30 20 CHED CCCCCCCCC(=O)N=c1cc[nH]cc1CC 733982427 PTEWBSWHKVBLMV-UHFFFAOYSA-N 262.397 3.755 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCc1ccc(Cl)cc1 492244239 ZFMKHQIBIPKRNT-HNNXBMFYSA-N 292.810 3.633 30 20 CHED C#CCCOc1ccc(CNC2(C)CCCC2)cc1 733326808 CJKQMQLFTCRETM-UHFFFAOYSA-N 257.377 3.511 30 20 CHED CCCCC(COC)=NNc1ccc2ccccc2n1 737415882 IJYJGEUCDKQHHO-UHFFFAOYSA-N 271.364 3.839 30 20 CHED N#CC1(N(C(=O)c2cc3occc3s2)C2CC2)CCC1 585748538 DDMDKHRAYPUFHL-UHFFFAOYSA-N 286.356 3.545 30 20 CHED C=C(C)[C@H](CC(=O)OCC1CCC(F)(F)CC1)OCC 837599057 YZTOLGXJRGAVPU-ZDUSSCGKSA-N 290.350 3.726 30 20 CHED CSCCCN(C)c1c(C#N)cnc2c(C)cc(C)cc12 589597797 RMGDZJSYSIJJET-UHFFFAOYSA-N 299.443 3.913 30 20 CHED C=CCCCOC(=O)c1sc2nc(C)cc(C)c2c1N 735531979 LJGVWMSLYNOXJX-UHFFFAOYSA-N 290.388 3.618 30 20 CHED CC[C@@H](NC1CCN(CC(C)C)CC1)c1cccc(C#N)c1 902737033 OIMDOKRFAQYHJG-LJQANCHMSA-N 299.462 3.719 30 20 CHED C=CCCCOC(=O)c1ccc(CN2CCCCC2)cc1 735527485 HXSDKVBHTLJZDS-UHFFFAOYSA-N 287.403 3.796 30 20 CHED C=CCCC[C@@H](NCc1csc2ccccc12)C(=O)O 900068532 KEMFIRNSMZFKOP-CQSZACIVSA-N 289.400 3.800 30 20 CHED Cc1cccc(C=NNc2ncccc2Cl)c1C 731150566 AERLRHUXXXSVEP-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CC(=NOCC[C@H]1CCCO1)c1cc2ccccc2o1 588557393 DOEOJYKONVWATR-CQSZACIVSA-N 273.332 3.743 30 20 CHED CCCn1nc(C)c(-c2cccc(C)c2C#N)c1C 906157650 GDKJBUBMRKLXDW-UHFFFAOYSA-N 253.349 3.757 30 20 CHED CCC(CC)[C@H](NC(=O)C#CC1CC1)c1ccccc1 837438697 BWFVQZFKSMEXBZ-SFHVURJKSA-N 269.388 3.694 30 20 CHED CCC[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)C(C)C 839051558 DURAASSHMFNHKY-MJBXVCDLSA-N 251.370 3.684 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@@H](C2CC2)C1 588855064 PKHCKSMJDVQXLT-CYBMUJFWSA-N 260.768 3.838 30 20 CHED C=C(Cl)CNC(=O)c1cc2ccccc2c2cccnc12 736239947 AOMRSZVFWKXKRW-UHFFFAOYSA-N 296.757 3.870 30 20 CHED N#CCC1(COC(=O)c2cc(-c3ccccc3)ccn2)CC1 909533293 JBVCNMZTNCDEPK-UHFFFAOYSA-N 292.338 3.599 30 20 CHED CC(C)(C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1 839055857 KXEJZEICGGYWBJ-ZFWWWQNUSA-N 271.360 3.590 30 20 CHED CC(=NNc1nncc2ccccc12)c1sccc1C 733746118 YZFYEGVWZOHTFS-UHFFFAOYSA-N 282.372 3.836 30 20 CHED CC(C)n1ncc2cc(NC(=O)C#CC(C)(C)C)ccc21 837425316 LMUMUICLWZZZIR-UHFFFAOYSA-N 283.375 3.605 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 916245244 ZJVPICIEHWTEBS-UHFFFAOYSA-N 299.330 3.830 30 20 CHED CC(C)(C)C#CC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 837373074 FPXCLUKXPMGBDU-QGZVFWFLSA-N 281.399 3.714 30 20 CHED C=CCOc1cccc(/C=C\c2ccc(C(=O)OC)cn2)c1 917146358 LFWRPEXIHXIOSL-CLFYSBASSA-N 295.338 3.603 30 20 CHED CC(C)(C)C[C@@H](NC(=O)C#CC1CC1)c1ccccc1 837344622 GOQNQEVTEMVVGU-MRXNPFEDSA-N 269.388 3.694 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccccc2)C1 595832421 QDRVPXALTBCYOY-DNVCBOLYSA-N 292.382 3.773 30 20 CHED Cn1nc(C(F)(F)F)cc1-c1cccc(C2(C#N)CC2)c1 592989365 SYLVGVZWQYBVFE-UHFFFAOYSA-N 291.276 3.661 30 20 CHED CCC(CC)N(CC)C(=O)[C@H](C)Cc1ccc(C#N)cc1 594029587 GKDHIFVVGNVWOJ-CQSZACIVSA-N 286.419 3.774 30 20 CHED CC#CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 744946214 LNHVJNJSKPFYMC-WDEREUQCSA-N 283.154 3.663 30 20 CHED C=CCCC(=NNCCc1ccc(OC)cc1)C1CC1 747763856 HQEXUNRLVFPINJ-UHFFFAOYSA-N 272.392 3.560 30 20 CHED C[C@H](C#N)N(Cc1cc(Cl)ccc1Cl)C1CC1 595708875 AGYLAWYKWBYXPT-SECBINFHSA-N 269.175 3.870 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](C)CCCCC)cc1 913479070 LTOSDSRUPLSFSS-AWEZNQCLSA-N 275.392 3.950 30 20 CHED C=C[C@H](C)ONC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 845634413 SWNWHSMHMSHBJX-GXTWGEPZSA-N 294.395 3.967 30 20 CHED CCCCCCCC(=O)NCc1cccc(F)c1 914126006 QANLGOKZKLEJMO-UHFFFAOYSA-N 251.345 3.802 30 20 CHED CC(C)[C@H](O)Cc1ccccc1-c1ccc(C#N)cc1 593955444 ZXTBNYOLTOKCEL-GOSISDBHSA-N 265.356 3.785 30 20 CHED C=CCc1cc(OCC)cc(CN2C[C@@H](C)C[C@@H]2C)c1O 740861061 UJKNUFABAVTXAE-KBPBESRZSA-N 289.419 3.750 30 20 CHED C[C@H]1OCCC1=NNc1cc(Cl)ccc1Cl 747763338 COSIFOHJTJIOHH-SSDOTTSWSA-N 259.136 3.570 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccncc2)c1 743478373 ZWPTWFDRYONLOL-WMLDXEAASA-N 295.386 3.613 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C 590987855 KLUUQDHOJMHZJA-XEZPLFJOSA-N 264.413 3.503 30 20 CHED CCc1ccccc1NN=Cc1ccc(C)c([N+](=O)[O-])c1 915051713 ODXOKSXWKOFFCB-UHFFFAOYSA-N 283.331 3.912 30 20 CHED CC1(C#N)CCC(NCc2cc(Cl)ccc2O)CC1 846055430 LZNYOXMZUZVBEC-UHFFFAOYSA-N 278.783 3.608 30 20 CHED C=CCCSCCNC(=O)Nc1c(C)cccc1F 596822527 DOFOYJVBXHKZBG-UHFFFAOYSA-N 282.384 3.565 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 593743077 BVWFMBMRXLBJDJ-OSAQELSMSA-N 290.794 3.642 30 20 CHED Cc1oc(C(C)C)cc1C(=O)NCCc1ccc(C#N)cc1 597891272 XOVGPVQIQUHGEG-UHFFFAOYSA-N 296.370 3.556 30 20 CHED C[C@H](c1ccccc1)n1cc(N[C@H]2CCC[C@@H](C#N)C2)cn1 592395283 VQGFFCYUCOGMQW-INMHGKMJSA-N 294.402 3.987 30 20 CHED CCN(CCSc1ccc(C)c(C)c1)[C@H](C)C#N 595817763 NETQABOGHYOGJX-CQSZACIVSA-N 262.422 3.630 30 20 CHED C=CCCSCCNC(=O)C[C@@H](C)c1cccc(F)c1 597972647 OGZYTKVQFFZYRR-CYBMUJFWSA-N 295.423 3.745 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)c1ccc[nH]1 748085635 LBSOUWATLISYBL-UHFFFAOYSA-N 275.355 3.805 30 20 CHED CCCCCCC=NNc1ccc(CC(=O)O)cc1 848414585 AABNGJMWHUFWCY-UHFFFAOYSA-N 262.353 3.682 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccc(C)cc1C 915980761 CEWUEAZQFNSECB-WQRHYEAKSA-N 269.344 3.637 30 20 CHED CCC(=NNc1ccccn1)c1cccc(Cl)c1 916276001 FYVZFAINOVZEEX-UHFFFAOYSA-N 259.740 3.961 30 20 CHED C=CCCCC(=O)NCc1ccc(N2CCCCC2)cc1 748295677 FQXKBFSXJCOXEH-UHFFFAOYSA-N 286.419 3.649 30 20 CHED CC[C@H](CC(=O)N(C)[C@@H](C#N)CC)c1ccc(C)cc1 594089181 NTEDAJZKSVQRIT-GDBMZVCRSA-N 272.392 3.639 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 594061087 BKYKYZBUMSQFBO-RRQGHBQHSA-N 298.430 3.678 30 20 CHED COc1cncc(/C=C/C(=O)c2cc3c(s2)CCCC3)c1 849247344 RSXNGMQGJDDQCE-VOTSOKGWSA-N 299.395 3.927 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)C1(Cl)CC1 925601771 OPCBZIPALCJWPA-GXTWGEPZSA-N 262.784 3.781 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 747061897 PDHCVOPKNINVBW-UHFFFAOYSA-N 273.292 3.641 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@H](C2CCC2)C1)c1ccccc1 840332135 JCZVFUZTMVNGGS-ROUUACIJSA-N 296.414 3.583 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](OC)c1ccccc1Cl 682382390 GVYWIORWMBUJKR-GOEBONIOSA-N 295.810 3.746 30 20 CHED C=CCC[C@@H](NC(=O)c1coc(C2CC2)n1)c1ccccc1 681602071 SKBATGPZGZQSQW-OAHLLOKOSA-N 296.370 3.989 30 20 CHED CC(CC1CCC1)=NNc1cc([N+](=O)[O-])ccc1C 758374755 IIZITMYZVSISFL-UHFFFAOYSA-N 261.325 3.881 30 20 CHED C#CCNC(=O)[C@H](C)S[C@@H](C)c1cccc2ccccc12 920426623 PZEJQZJLELNVGC-KBPBESRZSA-N 297.423 3.772 30 20 CHED CCC(=NNc1ncc(Cl)cn1)C1CCCCC1 857223141 KJUMCFKBTVNNSP-UHFFFAOYSA-N 266.776 3.888 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC[C@@H](C#N)C1 928221593 NLVOXWBEOIBPGO-UNJUUPHPSA-N 288.778 3.505 30 20 CHED Cc1ccc2c(c1)CC[C@H]2/N=C\c1ccccc1O 920178147 OONCWBXYWBVLMI-CJMVGXJBSA-N 251.329 3.807 30 20 CHED C#CCCCC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 757837153 CPVQCFLQHWVWJK-UHFFFAOYSA-N 294.354 3.961 30 20 CHED CC#CC(=O)N(CC(C)C)[C@@H](C)c1ccccc1Cl 855104887 AYDSJXAIFLNGOV-ZDUSSCGKSA-N 277.795 3.909 30 20 CHED C=CCOc1ccc(OCCC2SCCS2)cc1 853672869 MYXIVBNTKLNLFM-UHFFFAOYSA-N 282.430 3.826 30 20 CHED C#CC[C@H](NCc1cnc(Cl)c(C)c1)c1ccccc1 756998464 WILBQJGVPFRVIL-INIZCTEOSA-N 284.790 3.898 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccc(C)o1)C1CC1 684929129 FMLYHJIHPCJPOZ-CYBMUJFWSA-N 276.380 3.617 30 20 CHED C[C@H]1CCCCN1N=Cc1cc(F)cc2cccnc12 853379294 HNQIHLUWCAFHDS-LBPRGKRZSA-N 271.339 3.582 30 20 CHED C#CC[C@@H](/N=C/c1ccc(OCC)cc1O)c1ccccc1 756847431 SGSHENCXHRJPAZ-SQVRNEIYSA-N 293.366 3.974 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@H](CC(C)C)C1)c1ccccc1 757059887 YAGZBOSGBLYBLK-AEFFLSMTSA-N 298.430 3.829 30 20 CHED CCCc1nnc(S)n1N=Cc1cccc(C(C)C)c1 853347105 RFLGZKUHRZEWTR-UHFFFAOYSA-N 288.420 3.525 30 20 CHED Cc1ccnc(NN=C2Cc3ccc(Cl)cc3C2)c1 755906602 NIVVUZYXHAFMST-UHFFFAOYSA-N 271.751 3.610 30 20 CHED CC(C)c1ncc(/C=C2\Oc3ccccc3C2=O)s1 758433800 JRYXTXVGMHLWHE-QPEQYQDCSA-N 271.341 3.883 30 20 CHED CC#CCCCC(=O)N(C)c1ccc(Br)cc1 928922408 MDWHEJDYMIXPLD-UHFFFAOYSA-N 294.192 3.606 30 20 CHED COc1ccc(C(C)=NNc2cccc(F)c2)c(OC)c1 920383521 GNNIHTZLEHTWJC-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C#CCCCCNC(=S)Nc1ccc(F)c(Cl)c1 758434485 WAOIGDTXNLCZSH-UHFFFAOYSA-N 284.787 3.569 30 20 CHED Cc1nc[nH]c1C=NNc1cc(C)c2cc(Cl)ccc2n1 755590992 RQEXNCGILVQGOS-UHFFFAOYSA-N 299.765 3.674 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2nn(C(C)C)cc2c1 859437237 SGLLSVQDFGOALB-UHFFFAOYSA-N 298.390 3.886 30 20 CHED C=CCN(C(=O)/C=C\c1cccc(F)c1)C(C)(C)C 857650769 HQZXEDAEXCDVRN-KTKRTIGZSA-N 261.340 3.652 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc2c(c1)CCCO2 853010416 BKWOYIOVNLNAEK-SREVYHEPSA-N 296.370 3.514 30 20 CHED C=CCC1(NCc2ccc(F)cc2C#N)CCCC1 852588585 VLQSFXRLRAYSJL-UHFFFAOYSA-N 258.340 3.676 30 20 CHED C=C(C)COCCN[C@H](c1ccc(C)cc1)c1ccccn1 925531762 NMYUIIXDEFFWSM-LJQANCHMSA-N 296.414 3.662 30 20 CHED C=CCN(C(=O)c1[nH]c(-c2cccc(C)c2)nc1C)C(C)C 756977892 IHBPJOYENLBEAO-UHFFFAOYSA-N 297.402 3.730 30 20 CHED CC(C)(C#N)CN[C@@H](c1ccc(Cl)cc1)c1ccccn1 926873830 JKDPYEJRFVERRP-INIZCTEOSA-N 299.805 3.964 30 20 CHED C[C@H](OC(=O)C[C@@H](C)c1ccco1)c1cccc(C#N)c1 859812442 PAHFHNDKDWHBIH-OLZOCXBDSA-N 283.327 3.949 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 757953990 XMSILRNEMIUAJY-DVOMOZLQSA-N 286.444 3.779 30 20 CHED Cc1ccccc1CCC(=O)O[C@@H](C)CC(C)(C)C#N 851210874 VVHCOUPVJAQSIW-AWEZNQCLSA-N 273.376 3.799 30 20 CHED C=CCC[C@H](C)N[C@@H](CC)[C@@H](O)c1c(F)cccc1F 756731359 GNLFZFRBBGOIFU-HZUKXOBISA-N 283.362 3.721 30 20 CHED C#CC[C@@H](NC(=O)C[C@@H](C)c1ccco1)c1ccccc1 860433491 GVFMEFHQGNOELY-GDBMZVCRSA-N 281.355 3.654 30 20 CHED C=C(C)C[C@@H](NCc1c(CC)oc2ccccc12)C(=O)O 864530999 SEIIXLRTJBCIJT-CQSZACIVSA-N 287.359 3.504 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1[C@@H](C)CO 696774417 FCANRCPHZZTMHM-JKSUJKDBSA-N 283.456 3.747 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)c1ccc(C)o1 762620638 VFVBQHUHLBKWCB-CYBMUJFWSA-N 276.380 3.670 30 20 CHED Clc1ccc(C=NNc2ncnc3ccsc23)s1 764835314 KHGINODWCGYJRV-UHFFFAOYSA-N 294.792 3.852 30 20 CHED N#Cc1ccsc1NC(=O)N1CC(C2CCCCC2)C1 931836142 BBFVILZYCFMRLL-UHFFFAOYSA-N 289.404 3.664 30 20 CHED Cc1cc(C(=O)Oc2ccc(C#N)cc2F)sc1C 769738969 VHDICOFFENUQDD-UHFFFAOYSA-N 275.304 3.595 30 20 CHED C=CCCCCCCNC(=O)c1c(F)cccc1[N+](=O)[O-] 868328591 FUOZTAWJAKIKDD-UHFFFAOYSA-N 294.326 3.600 30 20 CHED O=C1C(=Cc2cc(F)c(F)cc2F)C(=O)c2ccccc21 767716049 IHTRUSPYVXGUMH-UHFFFAOYSA-N 288.224 3.567 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N=C2C[C@@H](C)ON2)cc1 765371351 DKAMQZMEBWJLKS-CHWSQXEVSA-N 288.391 3.542 30 20 CHED C=C(CC)COC(=O)[C@H]1CCCc2sccc21 773533730 BTNWJIJMGJNRAF-LBPRGKRZSA-N 250.363 3.677 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)[C@H](C)CC)c1 772983749 LIUWPFDQZJPWIC-IJEWVQPXSA-N 274.408 3.892 30 20 CHED CCc1nnc(-c2cccc(Nc3ccc(C#N)cc3)c2)o1 1117197120 DJQGTKZWKOEBNS-UHFFFAOYSA-N 290.326 3.914 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnn(C2CCCC2)c1C 879775473 COPMRNVOEMDCCE-UHFFFAOYSA-N 275.396 3.847 30 20 CHED C#CC(C)(C)NC(=O)CCCc1ccc2ccccc2c1 775739819 IEZPOMDYRHVTON-UHFFFAOYSA-N 279.383 3.691 30 20 CHED COc1cccc(NN=CC[C@@H](C)c2ccccc2)n1 779816650 FAVUIUZJVADWDC-CYBMUJFWSA-N 269.348 3.682 30 20 CHED CC1(C)CC(=NOCCC(F)(F)F)c2ccccc2O1 777455555 HYGQPOXQOXWLCP-UHFFFAOYSA-N 287.281 3.921 30 20 CHED CCc1noc(C)c1[C@H](C)Nc1ccc(OCC#N)cc1 1116482141 CEPSIWJPQKJLIU-NSHDSACASA-N 285.347 3.621 30 20 CHED Cc1cc(C=NNc2cc(Cl)ccn2)c(C)s1 777907029 PPVRGEYQGJRPRO-UHFFFAOYSA-N 265.769 3.859 30 20 CHED C[C@H](CC#N)OC(=O)CCc1cccc2ccccc12 870204152 BNZIILQUWPMJMP-CYBMUJFWSA-N 267.328 3.618 30 20 CHED C[C@H](NC1CCC(F)(F)CC1)c1ccc(OCC#N)cc1 776170420 KASCZIBQKNAIQW-LBPRGKRZSA-N 294.345 3.817 30 20 CHED Fc1ccc2[nH]cc(C=NNc3ccc4[nH]ncc4c3)c2c1 779821166 UMALUWPHZXZHQS-UHFFFAOYSA-N 293.305 3.629 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cccc(C(=O)O)c1 774138718 MNOLXVVMNJLLHL-YVMONPNESA-N 284.286 3.728 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H]1CCCC(C)(C)C1 775940198 DHWDPRWULICLCN-CQSZACIVSA-N 285.387 3.854 30 20 CHED C=C(C)CCC(=O)N(Cc1ccc(F)cc1)C1CC1 1120870443 XQLKRVOGZNLKQM-UHFFFAOYSA-N 261.340 3.673 30 20 CHED CC(C[C@H](C)CC(C)C)=NNCCc1ccncc1 789097266 GMRSWVCQCQYMHB-CQSZACIVSA-N 261.413 3.662 30 20 CHED COc1cccc(/C=N/CC(F)(F)c2ccccc2)c1O 788675587 XLCOMAAYSOLICQ-VXLYETTFSA-N 291.297 3.612 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1nc2ccccc2n1C 783829240 ZOIWLUDELWCSOZ-CHWSQXEVSA-N 270.380 3.797 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2sc(C)nc2c1 781496425 IDVOUZNZSBLMBS-VIFPVBQESA-N 275.377 3.691 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccnc2ccccc12 782287386 KNCMLBFLUROKNJ-MRXNPFEDSA-N 267.376 3.737 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)CC1CCCC1 780039794 MHKXTPXEMCPAPC-UHFFFAOYSA-N 277.751 3.835 30 20 CHED COc1cccc(NN=Cc2ccsc2Cl)c1 790153373 HJFPJUYMGIZOIS-UHFFFAOYSA-N 266.753 3.856 30 20 CHED CC(C)(C)[C@H]1CCN1C(=O)N[C@@H](CCC#N)c1ccccc1 1123529907 XMCJEPWDEIJZDY-JKSUJKDBSA-N 299.418 3.861 30 20 CHED Cc1nc(CCNc2cccc(Cl)c2C#N)cs1 220344650 BWCQFTLTICCNPA-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C=CCCN(C)C(=S)Nc1ccc(OC(C)C)cc1 786083928 SMUWQVGYQMPPHP-UHFFFAOYSA-N 278.421 3.679 30 20 CHED C#Cc1cccc(NCc2scnc2C2CC2)c1 785507740 HSKYMBSTPRBZCE-UHFFFAOYSA-N 254.358 3.614 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCCc3occc32)CCCCC1 788149428 WSGXADPOSPNHGP-OAHLLOKOSA-N 285.387 3.747 30 20 CHED CC(C)CCC(=O)OCc1ccc(Cl)cc1C#N 780034252 HXXKOWRZNRROSC-UHFFFAOYSA-N 265.740 3.691 30 20 CHED C[C@@H]1CCC(=NNc2nc3ccccc3[nH]2)[C@H](C)C1 783791534 WGTNQSPQGRVKSY-GHMZBOCLSA-N 256.353 3.787 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ncnc2sccc12 783815961 ILFGJOHVSMZPEG-QWRGUYRKSA-N 274.393 3.915 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc(Cl)cc1 781127592 OIBUGUQMFRABQT-UHFFFAOYSA-N 263.703 3.710 30 20 CHED N#C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2F)C1 896503642 OJKYMWCCOVRRFB-JTQLQIEISA-N 286.272 3.580 30 20 CHED C=C1CC(c2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)C1 896877185 OHGOLIUPPIKETC-UHFFFAOYSA-N 297.333 3.840 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1ccncc1Cl 899385234 RSBVSINQSZFPAE-SNAWJCMRSA-N 287.750 3.553 30 20 CHED CCN(CCc1cccs1)CCC(C)(C)C#N 272047839 SNMOYVIYQYDAAE-UHFFFAOYSA-N 250.411 3.552 30 20 CHED C=C(Cl)COC(=O)c1cnn(C2CCCCC2)c1C 781305715 DJZXHEPJKIDDER-UHFFFAOYSA-N 282.771 3.606 30 20 CHED CCOc1c(Cl)cccc1C=NO[C@H]1CCCCO1 782253924 JWNHSGWUWWMYNA-ZDUSSCGKSA-N 283.755 3.616 30 20 CHED C=C1CC(c2noc(-c3cc(C(F)(F)F)ccn3)n2)C1 896876232 XIRMDPYINQNINX-UHFFFAOYSA-N 281.237 3.584 30 20 CHED CSCC1CCN(c2ccc3cc(C#N)ccc3n2)CC1 896211804 WGGQPYYMRKPXLM-UHFFFAOYSA-N 297.427 3.686 30 20 CHED C=CCN(C(=O)c1ccc(Br)s1)C(C)C 40218033 AWTIFSJOVIFFBS-UHFFFAOYSA-N 288.210 3.547 30 20 CHED CCCCOCCNc1ccc(C#N)cc1Br 168553433 JBZMOGPBCWLIRR-UHFFFAOYSA-N 297.196 3.549 30 20 CHED C=CCC1(O)CCN(Cc2ccc(-c3ccccc3)o2)CC1 895835133 ADCCVTFRYJNKQC-UHFFFAOYSA-N 297.398 3.850 30 20 CHED C=CCC(C)(C)c1noc(-c2cnc(C)nc2C(C)C)n1 896328858 UOIPSZZAUILVSV-UHFFFAOYSA-N 286.379 3.812 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(Cl)s2)c(C2CC2)n1 899336316 SEAGZPFHCAUDHJ-SNAWJCMRSA-N 292.791 3.909 30 20 CHED CC(C)n1nccc1C=NNc1nc2ccccc2s1 794445067 IZTLMGLXQVTGCR-UHFFFAOYSA-N 285.376 3.520 30 20 CHED CCCCCCCC[C@@H](N)c1nc(C2CCOCC2)no1 899993771 ONVADUIDFIHIBI-CQSZACIVSA-N 295.427 3.714 30 20 CHED COc1cccc(Cl)c1CNCc1cc(C#N)cs1 188280576 RRXPNGMXXDJUKQ-UHFFFAOYSA-N 292.791 3.572 30 20 CHED Cc1cccnc1NN=Cc1ccc(F)c(Cl)c1 790194164 XOADJEGEFYEGLI-UHFFFAOYSA-N 263.703 3.629 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccc2ncccc2c1 794835422 XBBHVSOCGHKPKA-UNOMPAQXSA-N 292.338 3.568 30 20 CHED C[C@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)C(C)(C)C 1208479389 VKRIWUJNQOPEEC-SECBINFHSA-N 295.333 3.640 30 20 CHED C#C[C@@H](CCC)NC(=O)C1(Cc2ccc(Cl)cc2)CC1 791743209 MUCDDQRPVDLCIX-HNNXBMFYSA-N 289.806 3.581 30 20 CHED CC1(C)CCc2c(OC(=O)C3(C#N)CCCC3)cccc2O1 799411935 SXPSHCVALNYBCO-UHFFFAOYSA-N 299.370 3.780 30 20 CHED COc1ccc(O)c(/C=N/CCc2ccc3[nH]ccc3c2)c1 799742701 GKESRLJWHKPXRA-XDHOZWIPSA-N 294.354 3.544 30 20 CHED C[C@H](OC(=O)[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1 796375211 OQUJUTKRMSBXSD-GXFFZTMASA-N 279.286 3.598 30 20 CHED O=C(/C=C\c1ccc(OCC2CC2)cc1)c1ccnc(F)c1 794720199 DZHLKDFKNYOARW-YVMONPNESA-N 297.329 3.906 30 20 CHED CCCCCCCCCSc1nnc(CC#N)n1C 794474609 RKPDMXVFLLWHEF-UHFFFAOYSA-N 280.441 3.724 30 20 CHED C=CC[C@H](CC)Nc1ncnc2nc(SC)sc12 799324373 QKPFABIBZDMVHD-QMMMGPOBSA-N 280.422 3.575 30 20 CHED Cc1cc(F)ccc1NN=C[C@H]1CCCSC1 794922643 KQKNQWUPZWDTDV-LLVKDONJSA-N 252.358 3.675 30 20 CHED Fc1cccc(NN=C2C[C@@H]3CCCc4cccc2c43)n1 795008264 ZRZZQXIBKDORQA-LBPRGKRZSA-N 281.334 3.861 30 20 CHED FC(F)(F)CCNN=C1CCC[C@H](C(F)(F)F)C1 794553164 YPETTYDFYPBUTD-ZETCQYMHSA-N 276.224 3.637 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1ccc(C)s1 790305965 BNTQGWYOWVCMGY-UHFFFAOYSA-N 293.323 3.940 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc(-c2cnco2)cc1 798876675 DILFGFHRMYMNJX-UHFFFAOYSA-N 298.342 3.828 30 20 CHED C[C@@H](Nc1ccccc1NC(=O)CC#N)c1ccccc1 1157713810 XCRFHEQXOAFKLX-CYBMUJFWSA-N 279.343 3.712 30 20 CHED COc1ccc(CNCC(C)(C)C2CCCC2)cc1C#N 1308333734 PXSZQZXEDISMHF-UHFFFAOYSA-N 286.419 3.873 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)C2CCCCC2)c1 1319307988 MDLSSZIKZNHGRN-ZHACJKMWSA-N 272.344 3.636 30 20 CHED C=C[C@@H](COC)N[C@H](CC)c1ccc(Br)cc1 1320306611 XPCOOQQSMBLPHB-UONOGXRCSA-N 298.224 3.691 30 20 CHED N#CCc1cccc(NCC2(c3ccc(F)cc3)CCC2)n1 1320489112 BKAKLIMIRHANST-UHFFFAOYSA-N 295.361 3.821 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 1323205945 PCGIBXYFUUJDFR-VMPITWQZSA-N 292.334 3.800 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1nnc(CC2CCCC2)o1 1328378337 OSQGIZBZOYCUEJ-GFCCVEGCSA-N 297.358 3.814 30 20 CHED CCOc1cc(/C=C\c2cc(C#N)ccn2)ccc1OC 1339548088 IOURYJTXZRENQM-XQRVVYSFSA-N 280.327 3.531 30 20 CHED C=C(CC)C(=O)NC1(c2ccc(OC)cc2)CCCC1 1263723851 JKAXOAQJIBPTCD-UHFFFAOYSA-N 273.376 3.547 30 20 CHED CC(C)[C@@H](C(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1263377480 CAOKCMLRDACJBD-RHSMWYFYSA-N 296.345 3.837 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cccc3ccsc23)C1 1344028675 BINRWMHQGFAHRK-ZYHUDNBSSA-N 271.341 3.750 30 20 CHED C=CCCC[C@@H](N)c1nc([C@@H]2CCCc3ccccc32)no1 1262481073 GAQUFWHXTDOMSA-HZPDHXFCSA-N 297.402 3.894 30 20 CHED CC(C)C[C@@H]1CCCC(=NNc2nncc(N)c2Cl)C1 1344414838 DLULJWOELYDFKG-JTQLQIEISA-N 295.818 3.716 30 20 CHED N#Cc1ccc(F)c(C(=O)N[C@H](c2ccccc2)C2CC2)c1 1352888641 VFOGRYLGBISTKM-QGZVFWFLSA-N 294.329 3.578 30 20 CHED CCCC1CCN(Cc2cccc(C#N)c2F)CC1 223555599 KIHBIZQUUIZUQU-UHFFFAOYSA-N 260.356 3.709 30 20 CHED Cc1cc(N(C)[C@@H]2CCC[C@H]2C(C)(C)C)ncc1C#N 1458448976 YZZHDABSUBCGRZ-HUUCEWRRSA-N 271.408 3.913 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1csc(C#N)c1 1527511734 JHDDIXXYUVQCGQ-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C=C(CC)C(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 1520379593 ASVJQQRCVPKKNY-UHFFFAOYSA-N 281.359 3.859 30 20 CHED C=C(CC)C(=O)N[C@H](C1CCCCC1)C(F)(F)F 1528017262 LJPSDZPPQMAOSM-LLVKDONJSA-N 263.303 3.580 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1cc(C(=O)O)co1 1602992195 MXPLLDNZSHVJEC-UHFFFAOYSA-N 296.685 3.606 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1529198842 ULFLCLIATDZPQJ-NVXWUHKLSA-N 298.430 3.969 30 20 CHED C#Cc1ccc(N[C@H]2CCC[C@@H](CCCC(=O)O)C2)cc1 1602738760 MCESJLXCTHWUKU-RDJZCZTQSA-N 285.387 3.894 30 20 CHED C=CCCC[C@H](C)Sc1ncccc1C(=O)O 1602862824 IFYINSZEYDFAHD-JTQLQIEISA-N 251.351 3.617 30 20 CHED C=CC[C@@H]1CC[C@@H](NC[C@H](CC2CCCC2)C(=O)O)C1 1602851136 AROXEELSMCIYEL-VNQPRFMTSA-N 279.424 3.602 30 20 CHED Cc1cccc(F)c1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 1537172320 VCTMFPBULIXFBG-CYBMUJFWSA-N 296.345 3.823 30 20 CHED N#CCc1cccc(NCc2cc3ccccc3[nH]2)c1 1474150039 YAPCGRYDVAWYMR-UHFFFAOYSA-N 261.328 3.846 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2ccsc2Cl)c1 1610866497 VAEACJABFQTHRF-UPHRSURJSA-N 282.704 3.589 30 20 CHED N#Cc1cccc(CNc2cccc(F)c2F)c1F 230054996 GFIOIBYBQAXFGN-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC=C(F)C1 1642506279 YAIBMFSAKCOWCQ-UHFFFAOYSA-N 287.725 3.823 30 20 CHED Cc1cc(C#N)nc(NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 1642172529 JVENMKJXCLFDQM-INWMFGNUSA-N 286.423 3.777 30 20 CHED CC(C)CCc1ccc(Nc2cc(C#N)cnn2)cc1 1655055432 QJSBALUUTFOMMF-UHFFFAOYSA-N 266.348 3.680 30 20 CHED Cc1cc(C(=O)N2CCc3c(C#N)cccc32)cc(C)c1F 1585529053 UYAIBCBIBGMLMZ-UHFFFAOYSA-N 294.329 3.517 30 20 CHED Cc1cc(C)n(-c2ccc(Oc3ccnc(C#N)c3)cc2)n1 1655567721 ZGAHIRBJUQVCOP-UHFFFAOYSA-N 290.326 3.548 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2cccc(CC#N)c2)C1 1584438548 HWVBVMUQRPUKNI-OAHLLOKOSA-N 271.360 3.878 30 20 CHED C=C(C)CCCN[C@H](c1ccccc1)C(C)(C)C(=O)O 1776139080 ZZGCCGHPIHXXGI-OAHLLOKOSA-N 275.392 3.784 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@@H](C)c2ccccc2C)C1 1776153589 IZRLIZINSAAQEF-YJBOKZPZSA-N 287.403 3.799 30 20 CHED C=CCCCCCCCCNc1nc(C(=O)O)co1 1776207895 DPAAZVWEGQCZEP-UHFFFAOYSA-N 266.341 3.701 30 20 CHED Cc1ccsc1/C=C1\Cc2c(O)cccc2C1=O 11335949 TYCZBRXGDSHMER-CSKARUKUSA-N 256.326 3.585 30 20 CHED Cc1ccc(NCC(=O)Nc2ccc(C#N)cc2)c(Cl)c1 15087157 VBGONUWJWUURGF-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1ccc(Cl)cc1 19924566 YVVXCGRSXIZHTH-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CCOc1cc(C#N)ccc1OCc1cnc(Cl)s1 150950613 XWVQPKXEKNVRTD-UHFFFAOYSA-N 294.763 3.646 30 20 CHED C=CCc1cc(CN(CCC)CC(F)F)c(O)c(OC)c1 164238550 XUONJZZQPKDGPI-UHFFFAOYSA-N 299.361 3.606 30 20 CHED Cc1ccc(CNCc2ccc(C#N)o2)c(OC(C)C)c1 153689365 NXQPNQPWJACOTA-UHFFFAOYSA-N 284.359 3.537 30 20 CHED Cc1cc(-c2nnco2)ccc1NCc1ccc(C#N)s1 157531610 MFZQFRCLSRVTOE-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C#CCN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 157168296 UBOXXPFORUATAK-JTQLQIEISA-N 274.364 3.541 30 20 CHED COc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1C#N 157241176 JLENWSROCNSETB-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C#CCCCCNC(=O)Nc1cccc(C)c1Cl 154978719 JXQGUQVKORULCS-UHFFFAOYSA-N 264.756 3.573 30 20 CHED C=C(C)CN(CC)CCCC(=O)Nc1c(C)cccc1C 159607937 PXZQENGGEDJVJR-UHFFFAOYSA-N 288.435 3.920 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H]1C[C@@H](O)c1cccs1 271989056 DGCMOGZIXFBWKG-ZIAGYGMSSA-N 292.448 3.576 30 20 CHED COc1ccc(C#N)cc1CNc1ccccc1SC 151888086 NZAODTLOBWINBC-UHFFFAOYSA-N 284.384 3.901 30 20 CHED CC(C)(CCC#N)CNc1ccc2c(c1)OC(F)(F)O2 157439352 BDJCFIZHZWHTOZ-UHFFFAOYSA-N 282.290 3.750 30 20 CHED CC[C@H](C)[C@H](C(=O)N(CC)CCC#N)c1ccccc1 42454214 ZFLQTWWNOKESIZ-HOCLYGCPSA-N 272.392 3.578 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C)cc2F)c1 308164888 PTMAJKUTYHNIMC-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](O)C(C)(C)C1 312309277 UYZIZPOSALHZEY-HNNXBMFYSA-N 283.456 3.747 30 20 CHED C[C@H](C1CCC1)N(C)c1nc(C(F)(F)F)ccc1C#N 325368066 RPIZHEYNUFDPMJ-SECBINFHSA-N 283.297 3.597 30 20 CHED Cc1csc(C(=O)N2CCC(CCC#N)CC2)c1Cl 335384856 PQXYYVNKKOOSOT-UHFFFAOYSA-N 296.823 3.866 30 20 CHED CCN(Cc1ccc(C)cc1)c1nccc(C#N)c1Cl 578535407 FWTBUBFRZVHLLF-UHFFFAOYSA-N 285.778 3.942 30 20 CHED CC[C@@H](CC(F)F)CN(C)Cc1cccc(C#N)c1 595289186 QCTNTTVPJTYVKU-LBPRGKRZSA-N 266.335 3.671 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2Cl)C1 383238078 UUCYYBIAGRIFQU-CMPLNLGQSA-N 276.767 3.976 30 20 CHED C#Cc1cccc(NCc2cccc(O)c2Cl)c1 385573586 DHQXXHMKHPAWHJ-UHFFFAOYSA-N 257.720 3.639 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccccc1Cl 804834633 KFXNBBILKGROHM-UHFFFAOYSA-N 283.758 3.616 30 20 CHED CCCCCCC[C@@H](C)NCc1nnc(CC)s1 391794806 ZKAYQQXPTQPYMO-GFCCVEGCSA-N 269.458 3.939 30 20 CHED C=CCCC[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 398160337 HWZSYVIPBZHSBV-FAEJEUNOSA-N 268.404 3.945 30 20 CHED C#CC[C@H]1CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 829815885 VGPJDPMGZVXWND-SZMVWBNQSA-N 253.389 3.525 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 10516471 LCEILFSXRJADCN-CABCVRRESA-N 296.757 3.954 30 20 CHED C[C@@H](NCc1cc(C#N)cs1)[C@H](C)c1ccccc1 177708944 XIHLEKIWRNFXFM-QWHCGFSZSA-N 270.401 3.902 30 20 CHED C=CCCC(=O)N[C@@H](CC)c1ccccc1OCC 102259449 TVMUWKUWHOKNPJ-AWEZNQCLSA-N 261.365 3.619 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1cc(C)nc2ccccc12 118900759 KVHOCDOHDWVVKU-AWEZNQCLSA-N 299.370 3.568 30 20 CHED C=CCCCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 175838636 RPYGQWXIEARIMQ-AWEZNQCLSA-N 270.376 3.824 30 20 CHED CCCc1noc(CS[C@@H](C)c2ccc(C#N)cc2)n1 118444109 LPJUFNXUFHKRMZ-NSHDSACASA-N 287.388 3.888 30 20 CHED Cc1ccc(OC2CCN(CCCCC#N)CC2)cc1C 102397501 PDPKWLMJJJKTEO-UHFFFAOYSA-N 286.419 3.841 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](CC)c1ccc(OC)cc1 109195068 DXNBUXIITZZSHA-BBRMVZONSA-N 292.375 3.671 30 20 CHED N#CCCCN(Cc1ccccc1C(F)(F)F)C1CC1 52045970 NVFCQFAIGMGESF-UHFFFAOYSA-N 282.309 3.974 30 20 CHED CCCn1ccc2cc(NC(=O)NCCCCC#N)ccc21 171405099 PCCXZBQUTKVYBW-UHFFFAOYSA-N 298.390 3.867 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCCCCC#N 178527574 VNOJZNQVMFTMRA-UHFFFAOYSA-N 289.766 3.553 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccc(C#N)cc2)c1 66463566 VAQVDYBNTXTNIA-UHFFFAOYSA-N 292.338 3.765 30 20 CHED CCc1ccc(CNC(=O)Nc2cccc(C#N)c2C)s1 178562545 RMBYLJRXHVFBRW-UHFFFAOYSA-N 299.399 3.812 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CC)Cc1ccccc1 170818387 WSMZRFLUNGZAEI-MRXNPFEDSA-N 274.408 3.615 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 119291119 IIVVBSVGWXAUAX-AWEZNQCLSA-N 295.386 3.637 30 20 CHED CC(C)(C#N)CCCSc1nnc(N2CCCC2)s1 177257130 HVNFESXGYWWQRB-UHFFFAOYSA-N 296.465 3.560 30 20 CHED CC[C@@H](C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 66394668 CLYFNLSHUYFJAS-KCJUWKMLSA-N 285.174 3.720 30 20 CHED CC1(C)CC[C@@H](NC(=O)C2(C#N)CCC2)c2ccccc21 119475536 REXLFGSXLNBDSA-OAHLLOKOSA-N 282.387 3.609 30 20 CHED C=CCN(C(=O)c1ccc(OC)cc1)c1ccccc1 60525278 HGBMHGUSIUWFOU-UHFFFAOYSA-N 267.328 3.528 30 20 CHED O=C1/C(=C\c2ccn(-c3ccccc3)n2)Cc2ccccc21 179514384 VKGDIGBHHCZPSN-SQFISAMPSA-N 286.334 3.695 30 20 CHED CC(=O)c1ccc(C#N)c(NCC2(c3ccccc3)CC2)c1 302115535 RKEALRYJFCXTCX-UHFFFAOYSA-N 290.366 3.905 30 20 CHED CC(C)N(C)c1cccc(Nc2cccc(C#N)n2)c1 301850474 OZJXLKACWONGHC-UHFFFAOYSA-N 266.348 3.541 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(CC)CCCC2)c1 119042153 TZRNYJRFSFKQRH-UHFFFAOYSA-N 255.361 3.601 30 20 CHED C[C@H](OC(=O)CCc1ccccc1)c1ccc(C#N)cc1 175781949 ZLFBOVOHMQPSSL-AWEZNQCLSA-N 279.339 3.795 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C(C)(C)Cc2ccccc2)n1 118141007 DSJFLLUHHMUJMK-AWEZNQCLSA-N 298.411 3.897 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCOc2ccc(F)cc21 177116340 HGIFFSUXMKMPCY-OAHLLOKOSA-N 289.350 3.534 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(CCC#N)CC(F)(F)F)CC1 252060042 ZSCGWMZWSLEHCA-HAQNSBGRSA-N 290.329 3.507 30 20 CHED N#Cc1ccc(N2CC=C(c3ccccc3Cl)CC2)cn1 301914120 FMIOQDACCMTHTP-UHFFFAOYSA-N 295.773 3.900 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)cn1 120133908 RTAHGESLCFSBID-BQYQJAHWSA-N 278.311 3.576 30 20 CHED CCCCCC(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 121052327 VWZGUWUSBKFFBX-AWEZNQCLSA-N 296.370 3.948 30 20 CHED CC(C)CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 73427206 RVAWMFSULUDEHH-DLBZAZTESA-N 299.418 3.514 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(C)cc1 31852017 WOTUTSHVRALFFT-CQSZACIVSA-N 275.417 3.676 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2)nc1 185412638 KETHLYGKWCGVPV-UHFFFAOYSA-N 294.354 3.862 30 20 CHED C=CCN(C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC 121499482 ZGPRXCZDODIDBM-UONOGXRCSA-N 274.408 3.645 30 20 CHED C[C@@H](SCC(=O)OC(C)(C)C)c1cccc(C#N)c1 189881419 JEAQIYWFKBTDEG-LLVKDONJSA-N 277.389 3.694 30 20 CHED Cc1noc(C)c1[C@H](C)CNc1c(F)cc(C#N)cc1F 129533953 RIMZIXQJGDOSED-MRVPVSSYSA-N 291.301 3.657 30 20 CHED CC(C)Oc1cccc([C@@H](C)Nc2ccc(C#N)cn2)c1 76797358 PVBPJRMENKLWSN-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1ccc(C2CC2)cc1 419353090 KTXYIIJEGWFMIM-CXAGYDPISA-N 259.393 3.542 30 20 CHED CC#CCCCC(=O)Nc1cc(CN2CCCC2)ccc1C 186068922 FEKXVROLVLJRBZ-UHFFFAOYSA-N 298.430 3.723 30 20 CHED C=C(C)[C@@H](N[C@@H]1CCN(C)[C@H](C)C1)c1ccc(F)c(F)c1 186450899 CZBVJZVBPVHICV-SUYBPPKGSA-N 294.389 3.654 30 20 CHED Cc1cc(C#N)cc(C)c1OCCOc1ccccc1C#N 315791110 UKOOCGFMXORUNS-UHFFFAOYSA-N 292.338 3.505 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@H](c1ccccc1)C(C)C 410829240 QEEKKVNSKMSVIV-IRXDYDNUSA-N 286.419 3.967 30 20 CHED COc1ccccc1/C=C\C(=O)c1cc(C)ccc1O 33447968 VDPFEWCCQGZHGE-NTMALXAHSA-N 268.312 3.605 30 20 CHED C[C@@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])c(C#N)c1 127956057 BUUDAKFVBRVXSR-SNVBAGLBSA-N 299.355 3.652 30 20 CHED C=C(C)[C@@H](CC(=O)NCC[C@H](C)c1ccccc1)OCC 410219002 WKBXSPHDERKFAN-DOTOQJQBSA-N 289.419 3.668 30 20 CHED CCO[C@@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 127841583 FNMDUVUJOJGMBQ-GFCCVEGCSA-N 298.308 3.582 30 20 CHED COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 317228956 ZKSHPRKLBDUGNP-NSHDSACASA-N 297.314 3.648 30 20 CHED C=CCSCCNC(=O)N(C)[C@H]1CCCC[C@H]1CC 509206988 GHAAMVJOPWVWHB-KGLIPLIRSA-N 284.469 3.516 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@@H](C)C[C@H]2CC)cc1 73326041 CHSJNCRSOIUPFE-DZGCQCFKSA-N 273.376 3.512 30 20 CHED Cc1cccc([C@H](C)CNC(=O)c2cccc(F)c2C#N)c1 188219312 OZNBNXAPNYFBHG-CYBMUJFWSA-N 296.345 3.539 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCc3c(F)ccc(F)c32)c1 503603420 SVAXBFBUMXEPBT-QGZVFWFLSA-N 298.336 3.656 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc(Cl)c1F 509035459 SUUPPLPIDGMISP-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CN(C)c1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 130406433 ZCVFEEJRMZFJAN-LJQANCHMSA-N 293.414 3.887 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(F)cn1)c1ccccc1 187575719 JQSYQSSLUVYCRP-AWEZNQCLSA-N 270.307 3.519 30 20 CHED C[C@H](Sc1nncn1C(C)(C)C)c1cccc(C#N)c1 189843896 MNSMAOWQRMSHJP-NSHDSACASA-N 286.404 3.758 30 20 CHED N#Cc1ccc(CNC[C@@H](c2ccccc2)C(F)(F)F)o1 186437669 WQLMXOBSQQSNKP-AWEZNQCLSA-N 294.276 3.587 30 20 CHED Cc1c(Br)cccc1CSCCC#N 413014031 PQMCDNBZPFGOPP-UHFFFAOYSA-N 270.195 3.904 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cccc3cccnc23)CCC1=O 328928063 XOORTZZKINYXEP-YPMHNXCESA-N 282.343 3.828 30 20 CHED C[C@@]1(CNc2ncc(C#N)cc2F)C[C@H]1c1ccccc1 413290216 BKJFNAPYNTWBGO-YOEHRIQHSA-N 281.334 3.698 30 20 CHED C[C@@H]1CCC[C@H](N(C)CCCOc2ccc(C#N)cc2)C1 48068971 CXOQJLSSMLBFBE-WBVHZDCISA-N 286.419 3.838 30 20 CHED Cc1nc(CN(C)c2c(C#N)cnc3ccccc23)cs1 44609841 ZVJPYNCMBRSTBK-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C=CCCCCCN1CC[C@]2(C1)OCc1ccccc12 193561040 KESWTQJVVIVRFN-GOSISDBHSA-N 271.404 3.864 30 20 CHED C#CCCCC(=O)Oc1ccc(Sc2ccncc2)cc1 192247089 LQHSJUVBFJTQJZ-UHFFFAOYSA-N 297.379 3.942 30 20 CHED N#Cc1cc(COc2ccc(Cl)cc2)ccc1F 229753351 LOEZAUDGGVFPJV-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C#CCCCCNC(=O)[C@H](C)Oc1cccc2ccccc12 194685008 ZYAQRYXXHBXLNC-HNNXBMFYSA-N 295.382 3.527 30 20 CHED C[C@@H]1CCC[C@@H](C(O)=Nc2cccc(-c3cnn[nH]3)c2)C1 329609776 RBQCCPVUAMUGLG-DGCLKSJQSA-N 284.363 3.886 30 20 CHED N#C[C@@H](C(=O)c1cccc(Cl)c1)c1nc2ccccc2o1 41546251 NKNDSFZGXLZBKS-LBPRGKRZSA-N 296.713 3.971 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(C)Cc1ccc(C#N)cc1 516391810 KLGWWBWXGWHLDI-PBHICJAKSA-N 284.403 3.733 30 20 CHED C#CCOc1ccccc1CNCc1ccccc1CC 84200965 XUMNWRKIDQZEFC-UHFFFAOYSA-N 279.383 3.551 30 20 CHED N#C[C@H](C(=O)c1cccc(-c2ccoc2)c1)c1ccccn1 89966744 LSHIERRUNFCTLL-INIZCTEOSA-N 288.306 3.832 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2Cc2cc(C#N)n(C)c2)c1 191408881 JNQWLXJVGHRATM-LJQANCHMSA-N 293.414 3.851 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1nc(C)cs1 43240383 QCJYHQVSIVUPEC-UHFFFAOYSA-N 287.388 3.672 30 20 CHED C=CCc1cc(CN2CCC[C@H](C)[C@@H]2C)cc(OC)c1O 512652017 GWRJQXDQLVYRLS-KBPBESRZSA-N 289.419 3.750 30 20 CHED Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)ccc1OC(C)C 86299537 QRHDKUZPLUHVHB-ZDUSSCGKSA-N 289.379 3.548 30 20 CHED CC[C@@H](C)CCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425106319 GXMPQZRIJWNYKE-KGLIPLIRSA-N 272.392 3.904 30 20 CHED C=CC[C@@H](C(=O)N(CC=C)CC=C)c1ccccc1 193123850 MPVXJVBCCAIHOF-MRXNPFEDSA-N 255.361 3.547 30 20 CHED N#CC1(c2ccccc2)CCC(N[C@@H]2CC[C@@H](F)C2)CC1 336625767 SOOOCQIFIRKJEP-RZZCCWGQSA-N 286.394 3.871 30 20 CHED C=CCOc1cccc(NC(=O)NCC(C)(C)CC)c1 429016151 BXLDHMGAXRPXIJ-UHFFFAOYSA-N 276.380 3.809 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@H](C)CC#N 86302207 CGRFWEJFSRTKQN-SNVBAGLBSA-N 299.296 3.780 30 20 CHED CC[C@@H](C)CCC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425106321 GXMPQZRIJWNYKE-ZIAGYGMSSA-N 272.392 3.904 30 20 CHED C=CC[C@@H]1N(C(=O)C2CCSCC2)CCCC1(C)C 334188129 JBGIAJBUOJDCFK-AWEZNQCLSA-N 281.465 3.723 30 20 CHED N#Cc1c(F)cccc1COc1cnc2ccc(F)cc2c1 427512280 SUSIIENWYMQJDK-UHFFFAOYSA-N 296.276 3.964 30 20 CHED N#Cc1cc(NCCCC2(O)CCC2)ccc1C(F)(F)F 420641382 SAAJJXWSICRZOV-UHFFFAOYSA-N 298.308 3.684 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1cc(Cl)ccc1C 426227075 KBVPJCULDPPTAL-HNNXBMFYSA-N 292.810 3.899 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)c(F)c2)c(F)c1 237700457 FFWBHJAPZQYZST-UHFFFAOYSA-N 292.716 3.780 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cc(C#N)ccc2F)C1 336023614 RMNUJUHZCWVEIL-ACJLOTCBSA-N 295.361 3.675 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C(=N)O)c2ccccc21 332685511 OJGJSIPWEVUCLF-TZMCWYRMSA-N 286.375 3.644 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 517016692 DZJIRVTUBWSCAG-LSDHHAIUSA-N 290.794 3.594 30 20 CHED N#Cc1ccc(-c2nc([C@H]3CCCCS3)no2)s1 231028804 KIWPAGDWSOFDIT-SECBINFHSA-N 277.374 3.628 30 20 CHED C=CCOCCCC(=O)N[C@H](c1ccc(F)cc1)C(C)C 337452447 MVFVJBSFLGRDNL-KRWDZBQOSA-N 293.382 3.622 30 20 CHED COc1cc(Cl)ccc1[C@H](C)NCCCCC#N 421822342 AGPIDJZTHDMRDK-NSHDSACASA-N 266.772 3.693 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@H](SC)C(C)(C)C 426220918 VHRQSSRYVDCFFG-OLZOCXBDSA-N 284.469 3.514 30 20 CHED Cc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)c(C)c1 237576831 GWNXNBYWSIPNIC-MRXNPFEDSA-N 294.398 3.884 30 20 CHED CC(C)(C)CCCCNC(=O)Nc1ccc(C#N)cc1 517865841 QTCLSXSTEDMPDS-UHFFFAOYSA-N 273.380 3.896 30 20 CHED CC(C)(CCC#N)CN1CCC(Oc2ccccc2)CC1 91682940 RZNUKTHGMVUDDU-UHFFFAOYSA-N 286.419 3.860 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccc(C#N)cc1 97473048 VCBDCJHEUNREHP-RYUDHWBXSA-N 271.364 3.504 30 20 CHED C[C@@H](NCc1ccc(C#N)o1)[C@H](C)C1CCCCC1 237477409 IFXGBLQXXRKPQU-QWHCGFSZSA-N 260.381 3.846 30 20 CHED Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)oc1C 336109828 NXJNGQCXDSGLCB-UHFFFAOYSA-N 274.345 3.699 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)CCc1ccco1 523565732 AXKKRXQIQBJKIW-OAHLLOKOSA-N 292.423 3.989 30 20 CHED CC1(C)COc2cc(NCc3cc(C#N)cs3)ccc21 527745356 PQEZVEZBJAJJKH-UHFFFAOYSA-N 284.384 3.902 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCSc2ccccc21 436297388 XORPSJIRLRWHKL-QRTARXTBSA-N 289.444 3.794 30 20 CHED C=CCN(Cc1cccs1)Cc1cccc2c1NCC2 346854040 YVFBKYTVDOMBOO-UHFFFAOYSA-N 284.428 3.904 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc3scnc3c2)cc1 340135444 SRHHPFLUQVNPSD-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C=CC[C@H](C)NC(=O)CCCOc1ccc(Cl)c(C)c1 604880266 LSJSQKGBBMNTFF-ZDUSSCGKSA-N 295.810 3.888 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cccc(C)c1 521386773 XXAJQVZHMFLOGK-CQSZACIVSA-N 277.433 3.900 30 20 CHED COCCCC[C@@H](Nc1cc(C#N)ccn1)c1ccccc1 343085549 PSJXIAYWUYVRLZ-QGZVFWFLSA-N 295.386 3.923 30 20 CHED Cc1c(NCC#Cc2ccc(F)cc2)cccc1[N+](=O)[O-] 433440428 SCAHKECHSXRXSL-UHFFFAOYSA-N 284.290 3.506 30 20 CHED C=CCCCOc1cccc(OCC(F)(F)F)c1 607148718 JONRCEORCGZKKC-UHFFFAOYSA-N 260.255 3.973 30 20 CHED Cc1ccnc(N[C@H]2C[C@H]2c2c(F)cccc2F)c1C#N 343448527 ZVAJCXDXFUVIQJ-YGRLFVJLSA-N 285.297 3.508 30 20 CHED C[C@H](Sc1cccc(F)c1C#N)C1CCOCC1 600555429 KLSDFXKYRFNZCG-JTQLQIEISA-N 265.353 3.605 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(C)cc2)no1 528068899 SOTZGFBHHPUYPX-UHFFFAOYSA-N 255.321 3.626 30 20 CHED COc1ccc(CC[C@H](C)NC[C@@H](C)CCC#N)cc1 602523647 DSSXYCNOVYRNFR-GJZGRUSLSA-N 274.408 3.546 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1CC1(CC#N)CC1 602776663 AFVLFKJPNVJMCY-ZBFHGGJFSA-N 254.377 3.558 30 20 CHED C[C@H](CCC#N)CNCc1ccnc(Oc2ccccc2)c1 602508254 LMZGQBWGRLXOJA-OAHLLOKOSA-N 295.386 3.903 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)c1ccco1 607448710 CDURPIRIWGFTKG-GFCCVEGCSA-N 275.373 3.659 30 20 CHED C=CCCC1(C(=O)Nc2cnc3c(c2)CCCC3)CC1 356742064 SBCNWLQFBYHCCJ-UHFFFAOYSA-N 270.376 3.645 30 20 CHED C=CCOCCCC(=O)N(C)c1cc(Cl)ccc1C 359289324 LMWZWUJGKCSJAY-UHFFFAOYSA-N 281.783 3.594 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cc(Cl)ccc1C 355653470 NZPMQNOTWAHQID-UHFFFAOYSA-N 299.761 3.814 30 20 CHED CCCN(Cc1ccc(OC)cc1)C[C@@H](C)CCC#N 602443708 KJBRAIBVRBYASZ-HNNXBMFYSA-N 274.408 3.847 30 20 CHED C=CCCOCCNC(=O)C1CCC(CCCC)CC1 535308477 YUAUETFDBZRGOB-UHFFFAOYSA-N 281.440 3.692 30 20 CHED C=C1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 359624002 XSPUGOWOGRWTOY-UHFFFAOYSA-N 255.361 3.746 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc(Oc3ccccc3)nc2)C1 442782611 LJFZJXFGXOFZNT-HOCLYGCPSA-N 293.370 3.656 30 20 CHED COc1cccc(CNc2cccc(C#N)c2)c1OC(C)C 355728134 DEVMYVOILLEIAX-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@@H]1CCC1CCCC1 350752445 OEJJSVCNRBAJMJ-MRXNPFEDSA-N 288.439 3.712 30 20 CHED Cc1occc1-c1noc(/C=C\c2ccc(C#N)cc2)n1 354070413 VQYIAYGDTBKVQS-SREVYHEPSA-N 277.283 3.680 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)c2cc(C#N)[nH]c2C)c1 448791028 LSEHLZIZHKWLEC-LLVKDONJSA-N 297.358 3.624 30 20 CHED Cc1cc(CNc2cccc(-n3ccnc3)c2)ccc1C#N 443991305 UBYCUEGMXKPSBR-UHFFFAOYSA-N 288.354 3.665 30 20 CHED N#C[C@]1(F)CCN(CCCSc2ccccc2Cl)C1 615638637 OTBGTOOAFZAOAD-CQSZACIVSA-N 298.814 3.760 30 20 CHED Cc1nn(Cc2ccc(-c3ccsc3)cc2)cc1C#N 359379997 CQGNOSLGRKEWOV-UHFFFAOYSA-N 279.368 3.840 30 20 CHED C=CCN(C(=O)Nc1ccc(F)cc1OCCC)C1CC1 539005490 RVEXFJIHZNBDRY-UHFFFAOYSA-N 292.354 3.797 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(C#N)c1 610231550 BBYSQDYRGIJYGQ-AWEZNQCLSA-N 295.386 3.975 30 20 CHED CC[C@H](NCCOc1cccc(F)c1)c1ccc(C#N)cc1 447543370 RXQJASDJEPBONI-SFHVURJKSA-N 298.361 3.817 30 20 CHED C=CCCCC(=O)N1CCC(n2c(C)ccc2C)CC1 267251259 ZIABIGKEFWSXIY-UHFFFAOYSA-N 274.408 3.625 30 20 CHED C=CCOc1cccc(CN2CCC[C@@H]2c2ccccn2)c1 536629452 MTGRJDLMIKQFHO-LJQANCHMSA-N 294.398 3.984 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 264569936 RDBMACQBUCSLLG-XWIAVFTESA-N 292.382 3.561 30 20 CHED N#CC1(F)CCN(Cc2ccccc2C(F)(F)F)CC1 352458767 OOSJVCRZTWCIKT-UHFFFAOYSA-N 286.272 3.533 30 20 CHED C=C1CCN(C(=O)c2occc2COc2ccccc2)CC1 354143617 WEZGEGVHFGUUOH-UHFFFAOYSA-N 297.354 3.651 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1CCOc1cccc(C#N)c1 610001887 KKBMHAHQTQBERL-CRAIPNDOSA-N 286.419 3.838 30 20 CHED CCC(C)(C)CC(=O)N(CCC#N)c1ccc(F)cc1 610396999 WQHIFXIPMKKXCC-UHFFFAOYSA-N 276.355 3.899 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H]1CC[C@H](C)C1 352572954 OMCLXTOPIYORAM-LSDHHAIUSA-N 275.392 3.663 30 20 CHED COc1ccc(OC(C)C)c(N[C@H]2CC[C@@H](C#N)C2)c1 442872623 IIIFFORTDKRNIP-OLZOCXBDSA-N 274.364 3.587 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CSc2ccccc21 352475274 BWYJSYUDWOTCLD-CYBMUJFWSA-N 275.417 3.594 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)OCC 535145982 BGXCNPVSFIECSA-NXOAAHMSSA-N 293.451 3.833 30 20 CHED C=CCC[C@@H](NCCCn1ccnc1C)c1ccccc1 269444934 UKKVDRVHRZJRPR-GOSISDBHSA-N 283.419 3.879 30 20 CHED Cc1ccc(C#N)c(NCCC2CC(OC(C)(C)C)C2)n1 617841668 HMLMWSFCNSCZNZ-UHFFFAOYSA-N 287.407 3.657 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Oc1ccc(F)cc1Cl 452773176 HSYKMRSHLBRNKS-JTQLQIEISA-N 299.773 3.575 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CCc3cc(C#N)ccc32)n1 618693725 NTTBKZIYIPFRNY-KRWDZBQOSA-N 288.354 3.541 30 20 CHED C=CCC1(C(=O)N[C@H]2c3ccc(F)cc3O[C@H]2C)CCC1 360323857 IXEBCFWQNAINAG-XHDPSFHLSA-N 289.350 3.510 30 20 CHED C=C(CC)CS[C@H](C)C(=O)Nc1c(F)cccc1F 539094896 BCOSKJSGSDKWOD-SNVBAGLBSA-N 285.359 3.991 30 20 CHED C=CCCNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 617616493 ZKYLQSYYMZUOER-JENIJYKNSA-N 283.415 3.728 30 20 CHED C=CCN(C(=O)Cc1nc(-c2ccccc2)cs1)C1CC1 613239109 KVRIJRDBXGKHIH-UHFFFAOYSA-N 298.411 3.530 30 20 CHED CCOC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)C(C)C 616064550 PBLSTJBRDXUHPK-CQSZACIVSA-N 289.423 3.724 30 20 CHED Cc1cc(CNCCCC#N)ccc1Oc1cccnc1 273008933 BPZHGJXAOLUTEB-UHFFFAOYSA-N 281.359 3.576 30 20 CHED N#CC1(C(=O)OCc2cccc(F)c2Cl)CCCC1 271500972 KTZWIACRXCYTKY-UHFFFAOYSA-N 281.714 3.606 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(Cc2cccc(C#N)c2)n1 547098641 PYFGQPQMAOAVKD-DOMZBBRYSA-N 281.359 3.826 30 20 CHED N#Cc1ccc(CN[C@H](CC2CC2)c2ccccc2)nc1 615092177 HMAWHIBYWWWCOV-GOSISDBHSA-N 277.371 3.584 30 20 CHED CC(C)COCCCNc1nc(C(C)(C)C)ccc1C#N 613411396 TZYWWICVLAQJRW-UHFFFAOYSA-N 289.423 3.725 30 20 CHED C=C(CC)CNC(=O)NC1(c2ccc(Cl)cc2)CC1 458390616 QTBPFYACQSWODR-UHFFFAOYSA-N 278.783 3.595 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)NCC#Cc1cccc(F)c1 451507553 LSYQZFSAFVSETK-DOTOQJQBSA-N 287.378 3.510 30 20 CHED C=CCC(C)(C)c1noc([C@@H](Cc2ccccc2)OC)n1 453190621 VFJCYQWKCZJKES-CQSZACIVSA-N 286.375 3.854 30 20 CHED C=C[C@H](CC(=O)Nc1n[nH]cc1C(C)C)c1ccccc1 456729817 HULIVRVFEOFEAB-CYBMUJFWSA-N 283.375 3.832 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1nc2ccccn2c1C#N 541115287 OMMLFOSHHNXRCB-HNNXBMFYSA-N 288.354 3.614 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H](CCC)OCC)c1ccccc1 628343753 NGHCSKPJXWKDOO-IAGOWNOFSA-N 289.419 3.668 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CC(C)(C)C#N 278349882 MWGAVDDJAAABAR-IIAWOOMASA-N 284.403 3.719 30 20 CHED CC[C@@H](NCc1cccs1)c1ccc(C#N)cc1 278240434 LIHKNSHRQGXHHT-OAHLLOKOSA-N 256.374 3.861 30 20 CHED C=C(C)CN(C)C(=O)Cc1c(CC)oc2ccccc12 626383402 QIBHXDRLEKBYCB-UHFFFAOYSA-N 271.360 3.572 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CCC(F)(F)C2)CCCC1 456503735 JHXDQJXXWAGAND-GFCCVEGCSA-N 271.351 3.675 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)C[C@H](C)C#N)CC2 275336449 GSUHPPXEZXZRKV-DYVFJYSZSA-N 299.418 3.598 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)Sc1ccccc1Cl 362598110 BKPZODBGYCIEKO-NXEZZACHSA-N 269.797 3.511 30 20 CHED CC(C)CC[C@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 548607158 QYKCRSUMPWASRZ-NSHDSACASA-N 278.783 3.766 30 20 CHED C=CCSCCNC(=O)Nc1ccc(C)c(Cl)c1 540974780 OUZZNVZGCOIOOA-UHFFFAOYSA-N 284.812 3.689 30 20 CHED Cc1ccc(Cl)cc1NC(=O)CC(C)(C)C#N 278242354 LOJGTBWWGILGJR-UHFFFAOYSA-N 250.729 3.527 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2ccccc2)CCC1 466531062 SQZFAQGHYTYBQI-HNNXBMFYSA-N 257.377 3.579 30 20 CHED C=CCCc1nc(COc2ccc3ccccc3c2)no1 544225482 XLTGNYNIQRZBRK-UHFFFAOYSA-N 280.327 3.920 30 20 CHED COc1ccc(Cl)cc1Cn1nc(C#N)c2ccccc21 544208125 TVOBIIDYVPRHFV-UHFFFAOYSA-N 297.745 3.618 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cncc(OCC)c1 621363731 WCFWZIQAWXWREP-SFHVURJKSA-N 296.414 3.757 30 20 CHED C=CCCN(C)C(=O)CCc1ccc2ccccc2c1 466625932 CASREJNBSBKNMX-UHFFFAOYSA-N 267.372 3.807 30 20 CHED C=CCN(C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21)c1ccccc1 627376640 JBUMRZBONMVWBN-GUDVDZBRSA-N 289.378 3.792 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccc(C2CCCC2)cc1 464399689 ZWRGSVZBKSTKFU-INIZCTEOSA-N 270.376 3.622 30 20 CHED C=CCN(C(=O)C[C@H](C)c1c(C)noc1C)C(C)(C)C 622944691 AZHZOZGTWMJKCG-NSHDSACASA-N 278.396 3.598 30 20 CHED CC(C)(C)CS[C@@H]1CCN(c2sccc2C#N)C1=O 281400748 FKOXKZGLYBBCTC-LLVKDONJSA-N 294.445 3.504 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1 378140594 NUWWNLXUARSJNV-KSSFIOAISA-N 296.414 3.742 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](SC)c1ccccc1 281017978 GHXACNIJYCBHEA-KBPBESRZSA-N 263.406 3.562 30 20 CHED C[C@@](C#N)(NC(=O)[C@H]1CC12CCCCC2)C1CCCCC1 550742877 DJLFOMHDIGEHJR-WBVHZDCISA-N 288.435 3.936 30 20 CHED O=C(NCC#Cc1cccc(F)c1)C(C1CCC1)C1CCC1 557066382 GDOXKAYBQOWOFW-UHFFFAOYSA-N 299.389 3.510 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](c2ccco2)C1 377611286 KBJJIDQWDMWLEN-CQSZACIVSA-N 263.381 3.956 30 20 CHED CC(C)n1ncc2c1[C@H](N[C@H]1CCC[C@@H](C#N)C1)CCC2 373322952 DIQOGQDKDLKLQN-VNQPRFMTSA-N 286.423 3.513 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(C(C)C)nc2)no1 289211137 ZIKNFGZWCBTAMC-UKRRQHHQSA-N 299.374 3.704 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C(C)(C)C 464710690 LJOPLSHJOHYGAU-CVEARBPZSA-N 286.419 3.556 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2nccc(C)c2c1 557033618 LGBVTDWGHXVCEF-AWEZNQCLSA-N 268.360 3.628 30 20 CHED C=CCC[C@H](N[C@H]1C[C@H](OC)C1(C)C)c1ccco1 552268545 OZDABFYKPUUHCL-QEJZJMRPSA-N 263.381 3.690 30 20 CHED C=CCCOCCN[C@@H]1C[C@@H](c2ccccc2)C1(C)C 464058985 VOBVNDUHQXPLLT-DLBZAZTESA-N 273.420 3.751 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OCC(F)F)cc1 467979885 WVJBBDQXRHXSKM-OAHLLOKOSA-N 283.318 3.871 30 20 CHED C=CCCCCCCNC(=O)CC(C)(C)CC(C)=O 287252868 XLHMIDXXEVLWFM-UHFFFAOYSA-N 267.413 3.635 30 20 CHED CC#CCCCC(=O)Nc1nc2c(s1)C[C@H](CC)CC2 464442775 FMSYYARYHWRXTE-GFCCVEGCSA-N 290.432 3.790 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1C[C@@]1(C)CC 466294706 BHFLYWAUOSVTNO-RHSMWYFYSA-N 275.367 3.777 30 20 CHED N#Cc1cc[nH]c(=NCc2ccc3ccccc3c2)c1Cl 552987894 HWYOMKGAGHXMDH-UHFFFAOYSA-N 293.757 3.794 30 20 CHED CC#CCCCC(=O)N[C@H]1CCCCC12CCCC2 462978694 VXWPNBGGEYGFMK-HNNXBMFYSA-N 261.409 3.799 30 20 CHED Cc1oc(C#N)cc1C(=O)N1C[C@H](C)C[C@H]1c1ccccc1 286464492 VFOQOQOQUPCETD-PXAZEXFGSA-N 294.354 3.683 30 20 CHED C=CCCCC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 479598917 MVTAJRLPVNTGNQ-GXFFZTMASA-N 281.758 3.808 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 475058087 OBWXBWFFGDSORP-QGZVFWFLSA-N 299.418 3.813 30 20 CHED C=CCCCCCCCCNC(=O)c1c(C)nn(C)c1C 807843395 IUWOSEHJWTUESE-UHFFFAOYSA-N 291.439 3.683 30 20 CHED Cc1ccsc1C=NNc1nccnc1C1CCC1 807993339 BNABEVMMBSLOKR-UHFFFAOYSA-N 272.377 3.560 30 20 CHED C=CCCCCCN1CC2(CCOCC2)C[C@@H]1C 646096019 APJVQUFAMKQMCK-HNNXBMFYSA-N 251.414 3.624 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H](C)c2ccc(C)o2)cc1 803377890 JIIIPUPTNYKQKS-CQSZACIVSA-N 299.370 3.573 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@@H]2CCCF)cc1 800803607 JEYQDAHXPBAACP-LLVKDONJSA-N 278.327 3.703 30 20 CHED C=CCCCC(=O)N(c1ccccc1OC)C(C)C 291705068 OGADXECWSJWRFR-UHFFFAOYSA-N 261.365 3.793 30 20 CHED C#C[C@H](CC)NCc1cnc(-c2ccc(Cl)cc2)s1 809686282 HHFCIQMJOPFVHD-CYBMUJFWSA-N 290.819 3.965 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccc(Cl)cc1)C1CC1 649893906 WSZCFRDFZRFWLL-NSHDSACASA-N 263.768 3.621 30 20 CHED C#Cc1ccc(CNc2cc(NC(=O)CC)ccc2C)cc1 809595577 NUDXRTGUGDCAQR-UHFFFAOYSA-N 292.382 3.937 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1c1ccnc(C#N)c1 294877832 FRHIDUONBBATNR-AXFHLTTASA-N 283.297 3.509 30 20 CHED C=CCCCN1CCN(CCCC=C)[C@@H](CCC)C1 470217861 BDYURAIXBQEIEY-KRWDZBQOSA-N 264.457 3.705 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(C)(CC(C)C)CC1 568574243 CUTQEIGDKDUDSS-HZPDHXFCSA-N 293.451 3.642 30 20 CHED C#CC[C@@H](Nc1nc(CC)cc(CC)n1)c1ccccc1 804580364 ZPGRCZNBKIJASX-QGZVFWFLSA-N 279.387 3.778 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(C)c(C(F)(F)F)c1 806178699 WSNNYSVFNJFSLG-SNVBAGLBSA-N 284.281 3.547 30 20 CHED C#Cc1ccc(CN[C@@H](CCC)[C@@H](O)c2ccccc2)cc1 809657264 ZGHGSHZOYCDWOY-PMACEKPBSA-N 293.410 3.660 30 20 CHED COc1ccc2c(c1)nc(-c1ccc(C#N)o1)n2CC1CC1 479155469 DHNMRJXEAMGMST-UHFFFAOYSA-N 293.326 3.587 30 20 CHED C#Cc1ccc(CN[C@H](COC)c2cccc(Cl)c2)cc1 809792930 LLJYVSFMBNFRPP-GOSISDBHSA-N 299.801 3.799 30 20 CHED C=CCC[C@@H](C(=O)Nc1nc(CC)co1)c1ccccc1 567176935 UUVCEGBYAGKFRG-OAHLLOKOSA-N 284.359 3.926 30 20 CHED CC(C)O[C@@H](C=NOCCC1CC1)c1ccccc1 814247196 WCSAJIRHJKTHKJ-INIZCTEOSA-N 261.365 3.955 30 20 CHED CCC1CCC(N(CCO)CCCC(C)(C)C#N)CC1 488207167 XQWBMHCOKMROLC-UHFFFAOYSA-N 280.456 3.579 30 20 CHED Cc1nc(NC[C@H]2CC2(Cl)Cl)c(Cl)cc1C#N 812453873 WPSBXLGVUZTYMG-MRVPVSSYSA-N 290.581 3.521 30 20 CHED C=CCCCCSc1nc(C)c(C)n1CCOC 562535387 SIZDVTBXVYMIAW-UHFFFAOYSA-N 268.426 3.595 30 20 CHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCCO2 818355476 GMXLTRIBLPVUKI-IAOVAPTHSA-N 284.403 3.745 30 20 CHED CCn1cc(CC(=O)OC2(CC#N)CCC2)c2ccccc21 810855632 PURVEZOXEISZGF-UHFFFAOYSA-N 296.370 3.583 30 20 CHED C=CCC(F)(F)C(=O)N(C)C/C(C)=C/c1ccccc1 816484877 RPDDYYCCCLKKRR-ACCUITESSA-N 279.330 3.760 30 20 CHED C#CCCCCNC(=O)c1cc2cc(C)ccc2s1 810525328 JMZCVZDFULQYBT-UHFFFAOYSA-N 271.385 3.743 30 20 CHED C#C[C@@H](CC)NC/C(C)=C/c1ccccc1OC(F)F 811505126 FKRWSDXXPHLNRM-WONIAPNHSA-N 279.330 3.693 30 20 CHED CC(=NOCCOC(C)C)C(C)(C)c1ccc(F)cc1 812240878 VPUDOPVNMBISNA-UHFFFAOYSA-N 281.371 3.921 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 812110364 QQJQRASCTHYMQL-HOCLYGCPSA-N 286.419 3.745 30 20 CHED Cc1ccoc1CN=c1c(C#N)c[nH]c2ccc(Cl)cc12 488704625 STEOJMFZLMJMIF-UHFFFAOYSA-N 297.745 3.695 30 20 CHED C=CCCCCOC(=O)c1cnc2ccsc2c1 811010385 RIMNHHKJMUPAML-UHFFFAOYSA-N 261.346 3.809 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccccc1SC 488845154 VXVBZUJDIDHSRF-CQSZACIVSA-N 275.417 3.518 30 20 CHED CCCC[C@H](C)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 811520324 NAAHLQJJHSIWNY-GJZGRUSLSA-N 274.408 3.988 30 20 CHED CO[C@H]1C[C@@H](c2ccccc2)CCC1=NOCCSC 814922157 WYXAUDPNHVBJKI-HOCLYGCPSA-N 293.432 3.705 30 20 CHED CSC(C)(C)CC=NNc1oc(C(C)(C)C)nc1C#N 814822100 RGBDXCGUGGWFHY-UHFFFAOYSA-N 294.424 3.773 30 20 CHED Brc1csc(C=NOCCC2CC2)c1 814246967 KPBKQDNVCFYDPW-UHFFFAOYSA-N 274.183 3.661 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](CC(C)C)c1ccccc1C 812040864 JYQWYUBVNGCZDL-WBVHZDCISA-N 286.419 3.745 30 20 CHED C#C[C@H](/N=C/c1c(O)cccc1OC)c1ccc(Cl)cc1 811625814 WKWXBZFEXFAHQR-BKQORJHRSA-N 299.757 3.848 30 20 CHED C(=NOCCC1CC1)c1cnc(C2CCCC2)s1 814246063 BQRYVCKSBUSUQI-UHFFFAOYSA-N 264.394 3.951 30 20 CHED N#Cc1ccc(C(=O)N[C@H](C2CCC2)C2CC2)cc1Cl 576085045 OKFGEXASILPUGD-OAHLLOKOSA-N 288.778 3.520 30 20 CHED C=CCn1c(SCC2CC=CC2)nnc1-c1cccnc1 657238330 WKTROWWIYGEIRX-UHFFFAOYSA-N 298.415 3.584 30 20 CHED CC(C)C#CC(=O)Nc1cccc(CCC(F)(F)F)c1 829856367 NDYYKZFQNYXUMT-UHFFFAOYSA-N 283.293 3.779 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(O)c(C)c1 728226044 FSWCDPALHQVBNP-UHFFFAOYSA-N 275.739 3.585 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1ccncc1CC 664581249 GJPBLGXQKPAPAY-CYBMUJFWSA-N 289.423 3.749 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(C)c2cccc(C#N)c2)C[C@H]1C 573291447 SXMPEUZZZYQRGN-UMVBOHGHSA-N 270.376 3.593 30 20 CHED Cc1cccc2c1CCC2=NNc1nc2ccccc2[nH]1 729140439 GXWVAUNGFZVVPD-UHFFFAOYSA-N 276.343 3.634 30 20 CHED Brc1ccc(CNN=Cc2cccs2)cc1 726740121 SVKXZZUQPUJEHX-UHFFFAOYSA-N 295.205 3.634 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(O)c(C)c2)c1 728231988 PLWZTDHHECVLIB-VURMDHGXSA-N 252.313 3.905 30 20 CHED O=C1/C(=C/c2ccccc2)Oc2c(Cl)cccc21 729151516 SXBALPBOXUPACW-LCYFTJDESA-N 256.688 3.956 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(N)c(C)c1 829452350 KLVMVDUEVHUGLO-UHFFFAOYSA-N 286.419 3.786 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C)cc1OCC 490071699 KYWYUFMOUMOCTC-UHFFFAOYSA-N 284.359 3.634 30 20 CHED Cn1cccc1[C@@H]1CCCCN1C(=O)CCCCCC#N 588629998 VIDKOFMUDQATEQ-INIZCTEOSA-N 287.407 3.553 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 498112925 DHRFLXKSJRJQCJ-INIZCTEOSA-N 272.392 3.664 30 20 CHED CCC[C@H](C)CC(=O)Nc1ccc(Cl)c(C#N)c1 499299953 FLRNSUDXWZFOTM-JTQLQIEISA-N 264.756 3.976 30 20 CHED COc1cc(CN(CCC#N)C(C)C)cc2ccccc12 581231500 JKLQETXTYDFBQA-UHFFFAOYSA-N 282.387 3.972 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccsc1 735615415 OXURYWGYIKTCOY-UHFFFAOYSA-N 252.289 3.862 30 20 CHED C=C(Cl)CN(C)Cc1ccc(Br)cc1 302838891 SYZWPKQSOPXTHA-UHFFFAOYSA-N 274.589 3.633 30 20 CHED COc1ccc2nccc(OCCC(C)(C)C#N)c2c1 902900432 PTFWAVJQKPORAO-UHFFFAOYSA-N 270.332 3.562 30 20 CHED C=CC[C@@H](NC(=O)N[C@@H](C)CCCCC)c1ccncc1 734653080 YOPXZDDCLVTIBB-GOEBONIOSA-N 289.423 3.967 30 20 CHED Cc1noc(C)c1C[C@H](C)/N=C\c1cc(Cl)ccc1O 737443668 KRTKCLMXPKLTHR-NRMZQKLJSA-N 292.766 3.701 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(N(C)C)cc1)C2 730948910 OJKSYTCJZUXIFE-WJDWOHSUSA-N 277.367 3.883 30 20 CHED C=CCCc1noc(C(C)(C)Oc2ccc(OC)cc2)n1 664898284 RTCNQNHFSOOQPS-UHFFFAOYSA-N 288.347 3.511 30 20 CHED Cc1cccc(NN=Cc2ccnc3ccccc23)c1 731312523 PBNSLRDNBSLKAA-UHFFFAOYSA-N 261.328 3.989 30 20 CHED O=C([C@H]1CCCc2ccccc21)N(O)Cc1ccc(F)cc1 901376397 RYURCKBMDATQAP-KRWDZBQOSA-N 299.345 3.664 30 20 CHED C#CCOc1ccccc1NC(=O)N(C)CCC(C)(C)C 831693406 AVKQGZISHTZOLF-UHFFFAOYSA-N 288.391 3.599 30 20 CHED CSC[C@@](C)(C#N)NC(=O)CC(C)(C)C1CCCCC1 589047933 FKOJXZFVWVUWFZ-MRXNPFEDSA-N 296.480 3.744 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(OC3CCC3)cc2)C1 839052549 IVHBRHGQQJIQPE-GUYCJALGSA-N 299.370 3.857 30 20 CHED CC(=NNc1cnc2ccccc2n1)C1CCCC1 733076080 FWNNLGQTIMQOEY-UHFFFAOYSA-N 254.337 3.608 30 20 CHED C=CCC[C@@H](N[C@@H]1CCOc2cc(OC)ccc21)C1CC1 676639518 LXXFYWIXNSGUPK-IAGOWNOFSA-N 287.403 3.853 30 20 CHED C[C@@H]1CN(C)c2ccccc2N(C(=O)CCCCCC#N)C1 588756917 XWHAXNAAHGCEPT-OAHLLOKOSA-N 299.418 3.580 30 20 CHED CCCN(C(=O)c1cccc(C#N)n1)c1ccc(Cl)cc1 589773861 VAFMXCYCCKWJBX-UHFFFAOYSA-N 299.761 3.663 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1cccc(O)c1 734302682 JQQSKOKNSJTXFB-UHFFFAOYSA-N 280.249 3.646 30 20 CHED N#CCCCC(=O)O[C@@H]1CCC[C@H]1c1ccc(F)cc1 835536964 GHJJWKKPVWCONJ-LSDHHAIUSA-N 275.323 3.699 30 20 CHED C#CCSCCNc1ccc(C(F)(F)F)c(Cl)n1 739901062 IMLJAABCUKMNGQ-UHFFFAOYSA-N 294.729 3.532 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cc(F)ccc1O 916595168 ZBSJGRDXOXDYNM-UHFFFAOYSA-N 295.317 3.916 30 20 CHED CCCOc1ccc(C=NNCc2ccccc2)cc1 916343896 KRDSTADLCBVLSS-UHFFFAOYSA-N 268.360 3.599 30 20 CHED CCc1ncc(CSc2nc3c(c(C)c2C#N)CCC3)o1 916193067 UXVRDVRRAOAHBS-UHFFFAOYSA-N 299.399 3.593 30 20 CHED N#Cc1cc(F)c(OC2CCCC2)c(Br)c1 598729684 IQEFOSABESXOHE-UHFFFAOYSA-N 284.128 3.781 30 20 CHED N#CCc1ccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1 596672079 PTYRRVPEIUFYLN-HZPDHXFCSA-N 282.387 3.908 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C 593978430 YFBYONMWXMIDJP-BSXFFOKHSA-N 298.430 3.678 30 20 CHED CCCCCCC[C@H](C)CN[C@@H]1CCn2ccnc21 834527194 XUJIKJWKHDUCSS-LSDHHAIUSA-N 263.429 3.914 30 20 CHED CC(C)(CCC#N)CNCc1cc2ccncc2s1 594953367 HZKIKJUWHJLATA-UHFFFAOYSA-N 273.405 3.716 30 20 CHED C[C@H]1CC(=NNc2ccc3ccccc3n2)C[C@@H](C)O1 834917252 CWSDHPNHVQGUAV-TXEJJXNPSA-N 269.348 3.590 30 20 CHED N#CC1(C(=O)N[C@@H](C2CCCCC2)C2CCC2)CCCC1 592696405 AENLCTDSDHCPKP-INIZCTEOSA-N 288.435 3.936 30 20 CHED C[C@@H]1CN([C@H](C#N)c2ccccc2)C[C@@H](c2ccsc2)O1 595344874 OCAVBUQLKUIPJQ-XYPHTWIQSA-N 298.411 3.775 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccccc1[N+](=O)[O-] 743450357 JIHCGJVOLMZOQC-ZDUSSCGKSA-N 277.368 3.877 30 20 CHED CCCCC[C@@H](C)CC(=O)Nc1cc(C)nn1CCC#N 742573316 MNCDKHVZYMBQAA-CYBMUJFWSA-N 290.411 3.650 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)c1ccc(C)c(C)c1 741638635 PPGVKTKJHDJAJD-UHFFFAOYSA-N 297.329 3.707 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccc(Cl)s1 914557786 KPLIXENJOLFUPY-OVCLIPMQSA-N 281.764 3.735 30 20 CHED COc1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1C#N 741841464 LEGSODAYNHQPEO-RIYZIHGNSA-N 289.334 3.698 30 20 CHED C=CCCSCCNC(=O)[C@@H]1C[C@H]1c1ccccc1C 597976206 SZKJJMLAAMRDPE-JKSUJKDBSA-N 289.444 3.524 30 20 CHED CCc1ccc2c(CSCCC#N)cc(=O)oc2c1 840213386 PWFONCBVCLYLBU-UHFFFAOYSA-N 273.357 3.502 30 20 CHED CCC(CC)[C@H](CC/N=C/c1cccc(OC)c1O)OC 746521501 IRGIRVTXIILKNW-BRFSQIRFSA-N 293.407 3.661 30 20 CHED Cc1ccccc1SCC(=O)[C@@H](C#N)c1ccccc1 917136908 QMQAQZUOWIIRCD-HNNXBMFYSA-N 281.380 3.964 30 20 CHED N#C[C@@H](C(=O)[C@@H]1Cc2ccccc21)c1ccc2ccccc2n1 744015108 GQOIVENSDSHXKG-IAGOWNOFSA-N 298.345 3.751 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)c1ccc(OC)cc1 916240718 LHPXXNOEVHFVHX-UHFFFAOYSA-N 298.342 3.620 30 20 CHED CN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1(C#N)CCC1 596909900 CGTADSXRZZKJGG-UHFFFAOYSA-N 276.424 3.744 30 20 CHED CCCN(c1cc(C#N)cnn1)[C@@H](CC)c1ccccc1 596095859 SOEQFPBCXXIXFD-INIZCTEOSA-N 280.375 3.716 30 20 CHED CC(C)Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 748411737 XWCYJIKJJWTZOP-UHFFFAOYSA-N 294.354 3.715 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1cccc(Cl)c1 916287998 KQHGVHGZSGYGKE-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C#CC(C)(C)NC(=O)c1cc(C2CC2)nc2ccc(C)cc12 746853208 RTLMHWRPMPQASD-UHFFFAOYSA-N 292.382 3.562 30 20 CHED O=C(O)Cc1ccc(NN=C2CCC(C(F)F)CC2)cc1 848415020 VJOPINNRHLJGJI-UHFFFAOYSA-N 296.317 3.537 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccccc1OC(C)C 917558187 MSOJGXGJRTYXKR-XDHOZWIPSA-N 299.370 3.807 30 20 CHED C#C[C@H](OC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1F 842352850 HLHJUZJKBKQHAB-ZDUSSCGKSA-N 293.725 3.636 30 20 CHED Fc1ccc(NN=Cc2cc(Cl)c3c(c2)OCO3)cc1 917022850 KRPGAHZLBMMHDX-UHFFFAOYSA-N 292.697 3.654 30 20 CHED COc1cccc(O)c1/C=N\Cc1c(F)cccc1Cl 745625179 UDYMMJMZTHKVPH-NVMNQCDNSA-N 293.725 3.812 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCCC1CCCC1 593957587 MUKXWBWLEDRGIT-HNNXBMFYSA-N 298.430 3.823 30 20 CHED CCNc1ccc(C#N)cc1NCCOCc1ccccc1 849315295 OTNHDBWYQKEKQX-UHFFFAOYSA-N 295.386 3.619 30 20 CHED COc1ccc2cc(C=NNc3ccccn3)ccc2c1 916273504 HDLKJAXYIPQIKB-UHFFFAOYSA-N 277.327 3.689 30 20 CHED Cc1ccc(OCCCC(=O)OCCCCC#N)cc1C 747038838 JKSPTPXZHGYQLV-UHFFFAOYSA-N 289.375 3.700 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc2ccccc2n1 741450860 CNEYQGQABUXAMC-UHFFFAOYSA-N 292.298 3.589 30 20 CHED CC[C@H](CC(F)F)CN(CCC#N)CCC(C)C 595346716 KSYGKOHJDPVMHD-CYBMUJFWSA-N 260.372 3.930 30 20 CHED C=CCN(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)C(C)C 840322737 YULPQZYQJKCRAJ-HNNXBMFYSA-N 287.403 3.754 30 20 CHED CCCCCCCC(=O)N[C@H]1C[C@@H](OCC)C12CCC2 741616669 ZEPAAHTYBYNGRU-LSDHHAIUSA-N 281.440 3.811 30 20 CHED N#Cc1cccc(CC(=O)N2CC[C@@H](C3CCCCC3)C2)c1 598151906 BIROPSMHKHRRBI-GOSISDBHSA-N 296.414 3.530 30 20 CHED CC(C)CCOc1ccc(NC(=O)C#CC2CC2)c(F)c1 848356382 ZYBLIDCLJSVTHI-UHFFFAOYSA-N 289.350 3.603 30 20 CHED Cc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)s1 749745078 FBFDXYABYHNICD-NTUHNPAUSA-N 260.289 3.812 30 20 CHED CC(C)(C)[C@@H]1CCC1=NNc1ccc(CC(=O)O)cc1 848414610 PMUONPBBWXGJGU-CYBMUJFWSA-N 274.364 3.538 30 20 CHED C[C@@H](CCCc1cccnc1)/N=C\c1ccccc1O 840709829 GJVKCHZYDJUNER-QIQQCEGHSA-N 268.360 3.618 30 20 CHED CC(C)(CCC(=O)OCCCCC#N)c1ccccc1 754290404 PUIJCXOEWNLTHO-UHFFFAOYSA-N 273.376 3.981 30 20 CHED C=C(Cl)CN[C@@H](c1ccccc1)c1ccc(F)cn1 753680797 XCGJFJCDLQPOLD-HNNXBMFYSA-N 276.742 3.652 30 20 CHED C/C(=C\c1ccc(Cl)cc1)C(=O)N(C1CC1)[C@H](C)C#N 855582807 OTTOZBYNXRUWOH-LMMOQWNQSA-N 288.778 3.646 30 20 CHED C#CC[C@H](NC(=O)Nc1ncc(CC)s1)c1ccccc1 757912265 CBNOMQASNRIYRR-AWEZNQCLSA-N 299.399 3.592 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)OCC2(CC#N)CC2)cc1 750737253 MBXIOCYFDXHEMU-CYBMUJFWSA-N 287.359 3.715 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1cccc(C)n1 851142716 WYVHUFXRSIDYGR-HIFRSBDPSA-N 259.349 3.682 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc(OC(C)C)cc1 755819454 GEPPDXRFPRIYCO-INIZCTEOSA-N 277.364 3.741 30 20 CHED C#Cc1cccnc1N[C@H](C)c1cc(OC)c(OC)cc1C 853161749 ZKPHHHPUCWQEJS-CYBMUJFWSA-N 296.370 3.562 30 20 CHED C[C@H](CC=NNCc1ccc(C#N)cc1)c1ccccc1 755801209 FIYBWRKRYIODQE-OAHLLOKOSA-N 277.371 3.827 30 20 CHED C=C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 757013438 RAGFEFADLXWJMB-NSHDSACASA-N 286.350 3.538 30 20 CHED C=C(Br)CN1CC[C@@H](c2ccc(F)cc2)C1 756059723 UKUUAAZOYQYCFE-GFCCVEGCSA-N 284.172 3.524 30 20 CHED C=CCCSCCN[C@H](C)c1ccnc(Cl)c1 850504122 VDSMPKCVSWAILU-LLVKDONJSA-N 270.829 3.695 30 20 CHED CCCCCCCCNC(=O)N[C@@H](CC)C1CCOCC1 754862001 IZZNRNHNNMCTBD-INIZCTEOSA-N 298.471 3.851 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccc(F)cc1O 757476979 WFMREDLBFSNEGJ-KXFIGUGUSA-N 278.229 3.706 30 20 CHED Clc1ccc(NN=Cc2cccc3[nH]ccc23)cn1 755753846 NQVGTIAMXSZHRU-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C1CCC2(CC1)CC2 850753996 PMNHHJNWZSLYJA-UHFFFAOYSA-N 299.370 3.833 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)cc2O)cc(OC)c1 757476370 QJFOEVXOEJUEBH-FNORWQNLSA-N 298.338 3.614 30 20 CHED CC1(C)CC(=NNc2ncc(Cl)cn2)c2ccccc21 857223098 IQSQRSDJWLDNKC-UHFFFAOYSA-N 286.766 3.628 30 20 CHED Cc1nc(Cl)ccc1C(=O)O[C@H](C)CC(C)(C)C#N 851204331 ORUHHVCJYHULRE-SECBINFHSA-N 280.755 3.529 30 20 CHED C#CCCCC(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 758303887 ZCFBZWNMPHGCBD-QGZVFWFLSA-N 287.378 3.553 30 20 CHED C=CCCONC(=O)[C@@H](C)c1c(Cl)cccc1Cl 856031180 GIORNEUAARBVHL-VIFPVBQESA-N 288.174 3.721 30 20 CHED C#CCCCCNC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 758805618 QSEFDNZOZUHSNE-ROUUACIJSA-N 298.430 3.501 30 20 CHED C=C(C)CN(CC)C(=O)c1ccsc1C(F)F 930116900 AUOWEJMDLYSCHF-UHFFFAOYSA-N 259.321 3.724 30 20 CHED CCC(CC)NN=C(C)c1csc(C(C)C)n1 768776403 FNEZQDZZUMUNCM-UHFFFAOYSA-N 253.415 3.769 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 935412956 VYTKAGUGXYKTNN-HYVNUMGLSA-N 287.403 3.625 30 20 CHED CC[C@@H](C)C(=O)OCc1ccccc1C(C)(C)C#N 767987676 MIUIDPGMYSXUGS-GFCCVEGCSA-N 259.349 3.577 30 20 CHED COc1ccc(C/N=C\c2c(O)ccc3ccccc23)nc1 766282472 BDZSJPUMXQGZBG-UNOMPAQXSA-N 292.338 3.568 30 20 CHED C=CCOCSc1nnc(-c2cccc(C)c2)n1CC 865347123 UMUIGEMYZYQAMP-UHFFFAOYSA-N 289.404 3.526 30 20 CHED O=C(/C=C/c1ccccc1OC(F)F)c1cscn1 769259720 KEVNZZLKPVOVPQ-AATRIKPKSA-N 281.283 3.641 30 20 CHED N#CC1(CCCCN[C@@H]2CCCC23CCOCC3)CCC1 930334726 SEPRFNIWIPKPJU-MRXNPFEDSA-N 290.451 3.789 30 20 CHED C#CCCc1noc(-c2csc3ccccc23)n1 762010507 NAIKKURLSYRWCO-UHFFFAOYSA-N 254.314 3.517 30 20 CHED Fc1ccccc1CCNN=C1CCC[C@@H](C2CC2)C1 764722795 MBZLWAZKMRRQGM-OAHLLOKOSA-N 274.383 3.914 30 20 CHED C=CCCC(=O)COC(=O)Cc1ccc(CC(C)C)cc1 761370903 GMSHEBOZNBSDIX-UHFFFAOYSA-N 288.387 3.506 30 20 CHED C#CCCCOC(=O)CCOc1ccc2ccccc2c1 766882674 ISFQODUBFOWGEA-UHFFFAOYSA-N 282.339 3.565 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(-c2ccccc2)cc1 766855589 NTWGLOIUMMNEFY-AWEZNQCLSA-N 278.355 3.839 30 20 CHED C#CCCN1CCC(Oc2ccc(C(C)C)cc2)CC1 760815462 BDGUEAURZUUUNL-UHFFFAOYSA-N 271.404 3.677 30 20 CHED C#CCCc1noc([C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 762015725 CFNAIIOMOGYCJS-HZSPNIEDSA-N 258.365 3.709 30 20 CHED CCCCCCCC(=O)NC1Cc2ccccc2C1 762482573 GTWVAXNFLZNNOR-UHFFFAOYSA-N 259.393 3.631 30 20 CHED CSC(C)(C)CCN(CCC#N)Cc1ccco1 876530237 PNLWMZYDMNGFGJ-UHFFFAOYSA-N 266.410 3.527 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(SC(F)F)cc1 1116642752 AEFNZBPPIVSZQC-PWSUYJOCSA-N 287.375 3.853 30 20 CHED N#CC[C@H](CC(=O)OC(C1CC1)C1CC1)c1ccccc1 870489933 RJPGFJSAWSMWBO-MRXNPFEDSA-N 283.371 3.806 30 20 CHED Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C)o1 775411225 USFHFDYIOFRQEF-GOSISDBHSA-N 280.371 3.935 30 20 CHED C=CCCC[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1 775924106 HFQDZVFRLWORIG-UELRPHRMSA-N 273.376 3.569 30 20 CHED FC(F)(F)CCON=C[C@H]1CCOc2ccccc21 777455943 PHSAENDFRDXHKV-SNVBAGLBSA-N 273.254 3.508 30 20 CHED CCCCCCCN(c1ccccc1F)S(C)(=O)=O 771872848 VRFIYMRGYAUQSO-UHFFFAOYSA-N 287.400 3.562 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccc4c(c3)CCC4)o2)cc1 1117228504 AEMOEPXEFZARHW-UHFFFAOYSA-N 287.322 3.764 30 20 CHED C=CCN(C(=O)[C@H]1CCCc2sccc21)C(C)C 771290389 VMRJKNMLKXIHAD-ZDUSSCGKSA-N 263.406 3.591 30 20 CHED CC(C)c1cc(=O)oc2cc(OCC3(C#N)CC3)ccc12 777912668 WUILJRHJXIYMTC-UHFFFAOYSA-N 283.327 3.599 30 20 CHED Cc1c(C#N)cccc1NCc1cc(Cl)ccc1O 779598321 GJQSCQDQWCEESM-UHFFFAOYSA-N 272.735 3.838 30 20 CHED C/C=C(/C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 770445643 BQVYBJREDUNBGG-BABIGQSTSA-N 274.389 3.649 30 20 CHED COC[C@H](C)NN=C1CCC[C@H]1c1ccc(Cl)cc1 777894769 PQSIKDFSQJWUMA-FZMZJTMJSA-N 280.799 3.588 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(C#N)c(F)c1 776766628 JUILQGNKYAMAAN-UHFFFAOYSA-N 288.713 3.582 30 20 CHED C#Cc1ccc(-c2nc(-c3cccc(Cl)c3F)no2)cn1 770898413 RIIQCYCSIUPYAZ-UHFFFAOYSA-N 299.692 3.572 30 20 CHED C[C@H](CCC#N)CNc1ccc2c(c1)[C@@H](O)CCCC2 877624471 CCZHAZJNRWUPSQ-DYVFJYSZSA-N 272.392 3.798 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@H]1c1c(F)cccc1F 779916810 WINXDMJKMZYBJW-DOMZBBRYSA-N 291.341 3.521 30 20 CHED C[C@@H]1CC[C@H](C(=O)OCc2ccccc2C(C)(C)C#N)C1 776429715 WOVGZCPNFLDYRL-KGLIPLIRSA-N 285.387 3.967 30 20 CHED CC(=NOC(C)(C)C)c1ccc(C#N)cc1Cl 1116838119 VWOUHCGLKACQAV-UHFFFAOYSA-N 250.729 3.751 30 20 CHED C#Cc1cccc(NC(=O)Cc2ccccc2SC)c1 776769843 JIGZHLCTQZBZCX-UHFFFAOYSA-N 281.380 3.571 30 20 CHED N#Cc1ccc(NC(=O)c2ccncc2Cl)cc1Cl 73846312 VSVKWLGXJKZDBP-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1ccncc1CCC=NNCCCc1ccccc1 776729931 OWOKXGBXDSMIOX-UHFFFAOYSA-N 281.403 3.531 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 770060153 UITVSBVYMRYDCE-CQSZACIVSA-N 294.354 3.964 30 20 CHED N#Cc1c(Cl)nsc1N1CCCC12CCCCC2 771257549 RNJMHVYUPNCEAU-UHFFFAOYSA-N 281.812 3.971 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccccc1[N+](=O)[O-] 776849660 MJJOGQJRHVOJCF-UHFFFAOYSA-N 296.330 3.510 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1c[nH]cc1C1CC1 885171435 KVGDFZHRNHWCQV-UHFFFAOYSA-N 274.364 3.769 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCc2cc(C)ccc21 772989668 YRLOCKOCGDEZQI-IBGZPJMESA-N 291.394 3.784 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1ccn(C)n1)CC2 773159208 FYDMGTMCAAFDBA-XNTDXEJSSA-N 280.371 3.756 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)C1CC=CC1)c1cccs1 1123008115 CGGSALYLOOVZRF-SMDDNHRTSA-N 275.373 3.848 30 20 CHED CCCOc1cccc(NC(=O)c2ccsc2C#N)c1 1124935066 NPEUULRUMJPGIQ-UHFFFAOYSA-N 286.356 3.661 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@@H]1[C@@H](C)C1(F)F)c1cccs1 1123266970 LVQVXWYCSFEFDW-PKZYVASSSA-N 299.342 3.783 30 20 CHED C=CCCN(C)C(=S)Nc1cc(OC)ccc1Cl 786081858 CUGJGAUVXMCCJT-UHFFFAOYSA-N 284.812 3.553 30 20 CHED C#Cc1cccc(Nc2nc(-c3nccs3)cs2)c1 780526441 DTXJREUSJZEAQX-UHFFFAOYSA-N 283.381 3.992 30 20 CHED COc1c(C)cc(C(=O)O[C@@H](CC#N)c2ccco2)cc1C 1123463326 RJRAOOQXGGJRRA-HNNXBMFYSA-N 299.326 3.717 30 20 CHED C#CCSc1ccc(COC(=O)CSCCC)cc1 788411091 DQRSOOVXLGJMAG-UHFFFAOYSA-N 294.441 3.598 30 20 CHED CC(CC1CCC1)=NNc1ccc2c(=O)[nH]ccc2c1 789071210 QTAQDZWVXDOVDL-UHFFFAOYSA-N 269.348 3.506 30 20 CHED C=CCC(C)(C)CNC(=O)c1c([N+](=O)[O-])ccc(C)c1C 891166527 MGBPHOCKHKZOMT-UHFFFAOYSA-N 290.363 3.544 30 20 CHED CCc1cccc(CON=Cc2ccc(F)cc2)c1 786733539 BTNJGEAHYOZHCB-UHFFFAOYSA-N 257.308 3.939 30 20 CHED C=C1CCC(C(=O)N2CCC(C)=C(Br)C2)CC1 897636971 XRABUCCHXMNSGF-UHFFFAOYSA-N 298.224 3.634 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc(F)c1Cl 80071277 YYJQFQPICGUGLI-UHFFFAOYSA-N 296.773 3.881 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc2cnccc12 783946346 COQDJHSBHBFPQC-UHFFFAOYSA-N 282.343 3.722 30 20 CHED Cc1ccncc1/C=C\C(=O)O[C@H](C)c1cccc(C#N)c1 784865427 SMWFLSNBKFOEAH-LMVHVUTASA-N 292.338 3.579 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)nc1 783300700 PWGROOJJRQPDHT-QGZVFWFLSA-N 297.789 3.774 30 20 CHED Cc1ccccc1C1(C(=O)OCCCCC#N)CCC1 788186146 XYRZCVXDSIGNRJ-UHFFFAOYSA-N 271.360 3.654 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNCc1ccccc1N(C)C 794955813 DMFBLTIMRYWGIR-LSDHHAIUSA-N 273.424 3.654 30 20 CHED CC(C)N(C)c1ccc(C=NOC2CCCCC2)cn1 790176912 VLMQQNNHPOUNIX-UHFFFAOYSA-N 275.396 3.609 30 20 CHED CN(Cc1cccc(C#N)c1)c1ncc(Cl)cc1Cl 57330225 UYLOXZJTRGZPTE-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](CC)c1ccc(F)cc1F 791072570 DDAISVPYVGIFGS-DOMZBBRYSA-N 294.345 3.517 30 20 CHED CCCCCCCCCN(C)Cc1cncn1C 751468204 FVDRUJIALUBQTF-UHFFFAOYSA-N 251.418 3.603 30 20 CHED N#C[C@H](OC(=O)CCCC1CCOCC1)C1CCCCC1 798737151 ZRVVOVGZKWZOJS-INIZCTEOSA-N 293.407 3.599 30 20 CHED C#Cc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 792631488 KOXHYJNNERKKCI-UHFFFAOYSA-N 289.260 3.528 30 20 CHED C=CC[C@@H](CC)NC(=O)NC(C)(C)c1ccc(F)cc1 798404930 VTNKUGLYBHXXMX-CQSZACIVSA-N 278.371 3.715 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCC[C@@H]1CCO 793557176 LNXXLATZVABXLP-XHSDSOJGSA-N 253.430 3.652 30 20 CHED COc1cc2c(cc1/C=C\C(=O)c1ccc(C)o1)O[C@@H](C)C2 797200380 QDXJTGBPIFEFST-FJOGCWAESA-N 298.338 3.816 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1ccc(C)c(C#N)c1 799440307 GNNXIQWMXBHTGX-UHFFFAOYSA-N 290.322 3.520 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cn(C(C)C)nc1C 798370496 OFPQGUSJPJEQRQ-VOTSOKGWSA-N 283.375 3.626 30 20 CHED C#C[C@H](NC(=O)[C@@H](CCC=C)c1ccccc1)C(C)C 799046038 BELUEZPHPIGLFU-IRXDYDNUSA-N 269.388 3.510 30 20 CHED C=CCCCOC(=O)c1ccc(OC)c(Br)c1 735531957 KURPQKALGAWBOJ-UHFFFAOYSA-N 299.164 3.581 30 20 CHED N#Cc1ccc(NC(=O)c2c(F)cccc2F)cc1Cl 78484156 IEAOANGILSOCNT-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCCCCCCCN(C)C[C@@H]1CCCN(C)C1 741248701 BEVMEXNDQNQVBY-INIZCTEOSA-N 254.462 3.621 30 20 CHED Cc1ccc(CNc2cccc(CC#N)c2)c(F)c1 686505152 TUVKIVSESAPWGX-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C[C@H]1CC[C@H](Nc2cccc(OCCCC#N)c2)C1 80458050 ALGZFNAVAAIHFU-ZFWWWQNUSA-N 258.365 3.970 30 20 CHED CCCCCCCNC(=O)c1ccc(Br)o1 100051257 KIUJKVQSNAUVJL-UHFFFAOYSA-N 288.185 3.742 30 20 CHED Cc1cc([C@@H](C)NC(=O)CC#Cc2ccccc2)c(C)o1 1319655675 NAVLVKPYZLPTFJ-CQSZACIVSA-N 281.355 3.515 30 20 CHED CC#CCCNC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1320264530 CLHVHQJVDYIDST-UHFFFAOYSA-N 283.415 3.761 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(N2CCCCC2)cc1 1325620349 VUDKZIOWOYJIDB-NVXWUHKLSA-N 288.435 3.529 30 20 CHED Cc1ccc(Cc2noc(-c3cccc(C#N)c3C)n2)cc1 1323821780 HXSFURSDLJOJGA-UHFFFAOYSA-N 289.338 3.816 30 20 CHED CC(C)(C)c1ccc(NN=C2CCCC23CCC3)nn1 1324849693 ZGAYEQJYFHRPON-UHFFFAOYSA-N 272.396 3.896 30 20 CHED C[C@H](NN=Cc1ccc(N2CCCC2)cc1)c1ccccc1 1337811379 ANSUOKFLTXQMEV-INIZCTEOSA-N 293.414 3.972 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCc1c[nH]c2cc(C)ccc12 1339068694 VBTFPDMFTOGPMF-HNNXBMFYSA-N 297.402 3.560 30 20 CHED C=CCC1(N[C@@H](C)Cc2ccc(C)cc2)CCOCC1 1334014797 APIDDQJLOMYBPM-INIZCTEOSA-N 273.420 3.641 30 20 CHED C[C@@H]1CCC[C@@]1(C)c1nnc(COc2ccc(C#N)cc2)o1 1330076063 ZGXXXQYHLKSWDW-SJKOYZFVSA-N 297.358 3.598 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnc(C(C)C)s1 1339281215 ZNAVJZJABXSSSS-LBPRGKRZSA-N 278.421 3.837 30 20 CHED N#CCCCCN1CCc2cc(Br)ccc21 102398158 NWRPEBBTTCYXBZ-UHFFFAOYSA-N 279.181 3.505 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C)nc1Cl 1344760953 AOSRZOVJDNAVIN-UHFFFAOYSA-N 267.760 3.521 30 20 CHED COCC(CC(C)(C)C)=NNc1ccc(C(C)(C)C)nn1 1349511596 RDEWMNVFIVHNPK-UHFFFAOYSA-N 292.427 3.625 30 20 CHED CN(C(=O)c1csc(C#N)c1)c1nsc2ccccc12 1278800481 JTMSMUYYKXHWSM-UHFFFAOYSA-N 299.380 3.506 30 20 CHED Cc1ccc(C)c(C(=O)O[C@H](CC#N)c2ccco2)c1 1520425158 JSLKYNLFMICXLE-OAHLLOKOSA-N 269.300 3.708 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 1462167359 ALOLFIPJVQKSJL-IUODEOHRSA-N 274.339 3.852 30 20 CHED CCCCN(CCCC)C(=O)c1cc(C#N)ccc1C 1526261359 LZAYFWVOZTWMIX-UHFFFAOYSA-N 272.392 3.909 30 20 CHED N#Cc1c(NCc2csc3ccccc23)n[nH]c1C1CC1 1461571039 KBCCDWALTQOQMW-UHFFFAOYSA-N 294.383 3.986 30 20 CHED N#CCc1cccc(NC(=O)c2cccc(C3CC3)c2)c1 1533223448 MEJNZYMGAKKEMQ-UHFFFAOYSA-N 276.339 3.882 30 20 CHED C[C@H]1C/C(=C\c2ccc(C(=O)O)[nH]2)C(=O)c2sccc21 1609841205 NJPPBYDMLOIAOS-INTFFVIUSA-N 287.340 3.548 30 20 CHED N#Cc1nccc2c(Cl)cc(Br)cc12 521402030 SRRJUMLNYCWVRN-UHFFFAOYSA-N 267.513 3.522 30 20 CHED CCC1(CNC(=O)Nc2cc(C#N)ccc2F)CCCC1 1476715488 YQJUFKQVDYWEDW-UHFFFAOYSA-N 289.354 3.789 30 20 CHED C#CCCCCNc1ccc(C(F)(F)F)cc1C#N 229738949 DFEIGCUENGJISF-UHFFFAOYSA-N 266.266 3.792 30 20 CHED N#Cc1ccc(OCc2nc(Cl)ccc2Cl)c(F)c1 231029514 MNRQZMUXXMVDMY-UHFFFAOYSA-N 297.116 3.978 30 20 CHED CN(CCC(C)(C)C)c1ncc(C#N)cc1Br 1642853035 KKTHFQIAUFWCGG-UHFFFAOYSA-N 296.212 3.588 30 20 CHED CCCC[C@H]1CCC[C@H]1Nc1ncc(C#N)cc1F 1651485218 NSSHXXJTWYVAHN-GXTWGEPZSA-N 261.344 3.863 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1c(C)cccc1C 231728187 JTGBONPDAJTRJJ-UHFFFAOYSA-N 264.328 3.736 30 20 CHED Cc1cc(SCCc2cncs2)ccc1C#N 1656667257 QTEXZMFSHZPCAA-UHFFFAOYSA-N 260.387 3.658 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)c2ccc(C#N)cn2)CC(C)(C)C1 1586400014 WXKGKYQJBPWEOZ-KGLIPLIRSA-N 299.418 3.536 30 20 CHED CC[C@@H](C)c1ccc(C(=O)Nc2cccc(C#N)n2)cc1 1584682175 ZKKYXDFNSNTXBS-GFCCVEGCSA-N 279.343 3.719 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)c2cccs2)c1 1584930877 YQWOBIKVBIPXQC-LLVKDONJSA-N 270.357 3.670 30 20 CHED Cc1ccccc1C(C)(C)C(=O)Nc1cc(F)cc(C#N)c1 1588158670 AFVCQAYMEXPPML-UHFFFAOYSA-N 296.345 3.922 30 20 CHED C=CC[C@@H](C(=O)O)N1Cc2ccccc2-c2ccccc2C1 1588731651 MHZGCJKYTMAJTL-SFHVURJKSA-N 293.366 3.699 30 20 CHED CC(C)(C)C1CCN(Cc2cccc(F)c2C#N)CC1 1664319797 ATFJYMDZTWFYKH-UHFFFAOYSA-N 274.383 3.955 30 20 CHED CC(C)Cc1ccc(Nc2ccc(C(=O)O)nc2C#N)cc1 1591483788 LGGIKHBTFIQRCT-UHFFFAOYSA-N 295.342 3.594 30 20 CHED C=CCCCCCN1CC2(CCCCC2)C[C@H]1C(=O)O 1776173026 JQQSVWWFCCPRNN-HNNXBMFYSA-N 279.424 3.842 30 20 CHED Cc1cc2c(s1)C/C(=C\c1ccc(C(=O)O)s1)C2=O 1777428146 YKFFNOCOFLXNAH-VMPITWQZSA-N 290.365 3.639 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)ccc2F)cc1 1776114585 TUSKOWBYWNUWTQ-CLFYSBASSA-N 284.286 3.728 30 20 CHED N#Cc1ccc(Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 18055823 JYBAHFZUVTXMLI-UHFFFAOYSA-N 279.299 3.699 30 20 CHED C=C(C)CNC(=O)C[C@H](C)c1ccccc1C(F)(F)F 161173344 UVZZMDMXYYHNKK-NSHDSACASA-N 285.309 3.891 30 20 CHED N#Cc1cccc(NC(=O)Nc2cccc(OCCF)c2)c1 162328414 COJNLBLAFDKWMA-UHFFFAOYSA-N 299.305 3.551 30 20 CHED C=CCOc1cccc(NC(=O)/C=C\c2ccccc2)c1 206252803 NNLAVTRXRZWXTO-QXMHVHEDSA-N 279.339 3.903 30 20 CHED C=CCCSCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 151977916 YDFRUQHEJCOHQU-AWEZNQCLSA-N 277.433 3.790 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)c2cccs2)s1 152503981 UKYZTNQPGWVTLS-VIFPVBQESA-N 290.413 3.986 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccccc2C)CC1 153016187 UUESXVFWRZDXEE-MRXNPFEDSA-N 272.436 3.686 30 20 CHED CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc(F)ccc1F 274618296 LOTOSGJOYXXJDK-WBIUFABUSA-N 264.319 3.698 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H](C)c2ccccc2)c1 25613983 REPNCTWJEIZPEQ-CQSZACIVSA-N 263.340 3.800 30 20 CHED C[C@H](N[C@H](C)c1ccccc1O)c1ccc(C#N)cc1 36991929 SQUYPRBQLXODON-QWHCGFSZSA-N 266.344 3.676 30 20 CHED CC1(C)CCC[C@H](C(=O)NC2(C#N)CCCCC2)C1 179401264 ZVBOWEYQTUOBLC-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED C=CCCC[C@@H](C)Nc1nccc(C(F)(F)F)n1 302037436 VHKOLHPMMHNIOK-SECBINFHSA-N 259.275 3.652 30 20 CHED C=CCCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl 302003684 JXWCLWYORGKYKT-SECBINFHSA-N 269.732 3.800 30 20 CHED C=CCCCCCCNc1ccc2nccnc2n1 312004956 SFTYRXPCIRPCPP-UHFFFAOYSA-N 256.353 3.573 30 20 CHED Cc1nc(NCCc2ccccc2F)c(Cl)cc1C#N 312573397 ORKVRMVYWFAMDB-UHFFFAOYSA-N 289.741 3.709 30 20 CHED N#Cc1cccc(CSC2(CO)CCCCC2)c1F 313149823 UUOCMYKFQUZQGB-UHFFFAOYSA-N 279.380 3.626 30 20 CHED Cc1scc(C(=O)N2CCC(CCC#N)CC2)c1C 335596303 KGMNNKXFINYLEH-UHFFFAOYSA-N 276.405 3.521 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OCC)c(OC)c1 341493842 NMTOGBGKTMWJQI-CQSZACIVSA-N 263.381 3.538 30 20 CHED C=C(C)CN(CC[C@@H]1CCCN1C)Cc1ccccc1 470906981 QLPKUCUNIVXFPD-SFHVURJKSA-N 272.436 3.549 30 20 CHED CC(=O)c1ccc(N(C)C[C@H](C)C#N)cc1C(F)(F)F 705543969 SLOISVVPMSQWLW-SECBINFHSA-N 284.281 3.504 30 20 CHED CC[C@H]1CCC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 388583424 GKZZMVHHFPXOFS-VNCIIQTRSA-N 268.404 3.779 30 20 CHED CC(C)c1ocnc1C(=O)Nc1ccc(C#N)cc1Cl 769731830 UVXJZLBXZDGWOY-UHFFFAOYSA-N 289.722 3.575 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 560054851 OAMQXBBCHHEUKY-ZWNOBZJWSA-N 274.751 3.752 30 20 CHED O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 7905339 SWHJXBXLMHFOEJ-IZZDOVSWSA-N 292.313 3.908 30 20 CHED C=CCOc1ccc(-c2nc(C(C)(C)C)no2)cc1OC 109524590 ZWRXZNOSXYAKRP-UHFFFAOYSA-N 288.347 3.608 30 20 CHED N#Cc1cccc(CNc2ccccc2Cl)c1F 223725750 DCUKBSNZZJCSFU-UHFFFAOYSA-N 260.699 3.963 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 57989464 DTPJEWXPALLLGK-BBRMVZONSA-N 299.370 3.711 30 20 CHED N#Cc1cn(C/C=C/c2ccccc2)c2ccccc2c1=O 57739951 FXZULFRYUXAMQG-RMKNXTFCSA-N 286.334 3.587 30 20 CHED Fc1ccc(C#CCNC2(c3cccc(F)c3)CC2)cc1 179685682 ODAWMOMHZBXRDQ-UHFFFAOYSA-N 283.321 3.595 30 20 CHED C#CCCCOC(=O)CCc1nc(C)c(-c2ccccc2)o1 106986125 HNQZINUWGOQRRE-UHFFFAOYSA-N 297.354 3.539 30 20 CHED N#C[C@@H](NC(=O)CCC1CCCC1)c1ccc(Cl)cc1 106421202 MKWFLYRGTBWAOI-OAHLLOKOSA-N 290.794 3.991 30 20 CHED C=CCCCC(=O)NCc1ccc(C)cc1OCC1CC1 176473471 YMIIWSNUVUCHPP-UHFFFAOYSA-N 287.403 3.756 30 20 CHED CCN(CCc1cccnc1)[C@@H](C)c1ccc(C#N)cc1 172074475 QMKQJSNWOCAMNT-HNNXBMFYSA-N 279.387 3.579 30 20 CHED CCOc1cccc(/C=N/[C@H](C)c2ncc(C)s2)c1O 175895013 ZXYUNVDKCAREDO-LKBVRNOZSA-N 290.388 3.736 30 20 CHED CC(C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 105039911 JVSGJJLMSDHLRP-UHFFFAOYSA-N 295.342 3.880 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(C)Cc1cccc(C#N)c1 114232887 QKJNQSHESLWXQV-CQSZACIVSA-N 284.403 3.733 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 28495436 FDIDGHXPXKNAFG-RMKNXTFCSA-N 271.247 3.630 30 20 CHED C=C[C@H](CC(=O)Nc1cnn(CC2CC2)c1)c1ccccc1 178985794 WEMOWTGAGAYQLG-OAHLLOKOSA-N 295.386 3.592 30 20 CHED N#Cc1ccc(Cl)cc1NCCOC1CCCC1 108943177 FIVMCYCQNXXDEP-UHFFFAOYSA-N 264.756 3.583 30 20 CHED CCSc1cc(CNc2c(C#N)cccc2C#N)ccn1 302878366 HBTDLRSENXFPRR-UHFFFAOYSA-N 294.383 3.549 30 20 CHED C=CC1CCN(c2nc(-c3ccccc3)ns2)CC1 301389603 FVVWMGWWDLPTOL-UHFFFAOYSA-N 271.389 3.608 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(C2SCCS2)cc1 116854781 KDBRBBGGUWBGGM-LLVKDONJSA-N 293.457 3.860 30 20 CHED C[C@@H](Sc1nnc(C(C)(C)C)[nH]1)c1ccc(C#N)cc1 118174878 NXPNAWNTUNSTSQ-SNVBAGLBSA-N 286.404 3.827 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCCCCC#N 171420744 RQQCPBKHBNKORC-ZIAGYGMSSA-N 279.428 3.584 30 20 CHED CC(C)c1ccc(-c2nc(CN(C)CC#N)cs2)cc1 68971728 HBDGOVLLVVQXBI-UHFFFAOYSA-N 285.416 3.889 30 20 CHED C=CCN1CCC(NC(=O)[C@H](CC)CCCCCC)CC1 172291553 UJTBJLKGPMUFMJ-MRXNPFEDSA-N 294.483 3.750 30 20 CHED C=C(C)CCC(=O)Nc1ccc(-c2cnc(C)o2)cc1 1357516681 WAYJMMDVBGNVMM-UHFFFAOYSA-N 270.332 3.945 30 20 CHED C=CCC[C@@H](O)CN[C@@H](CC)c1ccccc1OC(F)F 179721914 PXXJPBCBAJHOSS-OCCSQVGLSA-N 299.361 3.656 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1cc(C)sc1C 116940216 ZPHPZZRMEROVCM-KOLCDFICSA-N 266.410 3.690 30 20 CHED C=CCCOC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 126614771 HGXSQXPUFXSNBO-UHFFFAOYSA-N 299.326 3.573 30 20 CHED CCCCCCCC(=O)N[C@@H](C)Cc1c(C)noc1C 129592562 RPCPOHCYNJVAGY-LBPRGKRZSA-N 280.412 3.699 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Nc1ccncc1C 121297079 KXMAOYHGLNHCOX-UHFFFAOYSA-N 299.349 3.749 30 20 CHED N#CCC[C@@H](NC[C@@H]1CC=CCC1)c1ccccc1 125779660 APSJQLKJNGYZAI-NVXWUHKLSA-N 254.377 3.977 30 20 CHED CCCO[C@H]1CCCN(Cc2ccc(C#N)cc2C)CC1 186226070 ADPYJNYNZYFCAS-SFHVURJKSA-N 286.419 3.648 30 20 CHED C=CCC1(C(=O)NC[C@H](C)c2cccc(C)c2)CCC1 188022689 CJFJWRQNNTXKCA-HNNXBMFYSA-N 271.404 3.961 30 20 CHED C=C[C@H](C)N[C@H]1CCCc2ccc(Br)cc21 128833957 QTASPUCRSMRLJQ-HZMBPMFUSA-N 280.209 3.991 30 20 CHED Cc1ccc([C@H](C)N(C)c2ccc(C#N)cc2[N+](=O)[O-])cc1 303663232 YXZCTRDDNPJDKI-ZDUSSCGKSA-N 295.342 3.972 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(C)nc1 355214591 GDBAPZDHZIUPPX-UHFFFAOYSA-N 266.388 3.968 30 20 CHED N#Cc1ccc(F)c(CNc2ccnc3ccccc23)c1 78474786 PVELWJNGYDVVLW-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1F 37493856 LROKTSDFKJOITH-CYBMUJFWSA-N 284.334 3.579 30 20 CHED CCO[C@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)C12CCC2 181813889 VGJABTDXLCRMGD-XKQJLSEDSA-N 284.403 3.557 30 20 CHED CCN(Cc1cncc(C)c1)[C@H](C)c1ccc(C#N)cc1 189804096 YFLYKDDVZMKORX-OAHLLOKOSA-N 279.387 3.845 30 20 CHED CC(C)(CC#N)COC(=O)c1coc2ccccc12 184801773 LODJJAOKKJRCDH-UHFFFAOYSA-N 257.289 3.529 30 20 CHED CCCCCCCN1CCC[C@@H]1[C@H]1CCC[C@@H]1O 253087947 DTJGAHTYANNDBC-OAGGEKHMSA-N 253.430 3.582 30 20 CHED COc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1OC 37199069 NQQIZFSXMMVJFV-GFCCVEGCSA-N 282.343 3.749 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCOc3c(F)cccc32)cc1 180444676 NGFWMEOYOBZPCR-QGZVFWFLSA-N 296.345 3.701 30 20 CHED C=CCCN(Cc1cnc(C)s1)OCc1ccccc1 187388547 YAONMBOAUQFHJO-UHFFFAOYSA-N 288.416 3.961 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C(C)C)C1CC1 413832287 IWUPNCJTABSBHH-INIZCTEOSA-N 286.419 3.756 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC2(C3CC3)CCC2)cc1 127520473 FNUDQWVGWKULPO-AWEZNQCLSA-N 284.403 3.647 30 20 CHED C[C@H](CC(=O)Nc1ccccc1C#N)Cc1cccc(F)c1 74805255 MCZFXWWBDWLDOY-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410963733 GKOSEWKAUADQFX-STQMWFEESA-N 276.767 3.637 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 125742884 UMZJMGRDECEKHW-HWMZRRJGSA-N 276.424 3.647 30 20 CHED COC[C@H](C#N)Nc1ccc(SC(C)(C)C)cc1C 181331379 FOQTUPAQJGCVNJ-LBPRGKRZSA-N 278.421 3.836 30 20 CHED C[C@H](CCC#N)N1CCC(Cc2ccc(F)c(F)c2)CC1 411541073 GLBMYCQQCALKEO-CYBMUJFWSA-N 292.373 3.912 30 20 CHED C[C@H](OC(=O)C1=CCCCC1)c1ccc(C#N)cc1 129160467 DRTAPZLJBWLDLL-LBPRGKRZSA-N 255.317 3.663 30 20 CHED N#CCCN(Cc1ccco1)Cc1cccc2cc[nH]c12 505775510 CAOGJMFBMDQQGC-UHFFFAOYSA-N 279.343 3.677 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)CCc1ccc(C#N)cc1 412800096 AUYCLCCUTDSTQO-IAGOWNOFSA-N 298.430 3.822 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(C)cn1)c1ccccc1 186221669 YYNCBJOAFDCBTM-HNNXBMFYSA-N 266.344 3.688 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 78878086 PINZQTLYQRTBPF-HNNXBMFYSA-N 292.382 3.974 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C/c1ccccc1 182025526 MXHRGCMSFCIXEB-GETOMWPZSA-N 292.338 3.629 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(F)c(F)c2)c1 184771631 YAERYDNFQYQSRG-HWKANZROSA-N 259.255 3.564 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(C(F)(F)F)CC1 187512404 MZCAWRVUSKEBCK-LLVKDONJSA-N 282.309 3.894 30 20 CHED C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(SCC#N)c1 79396039 CAIZMOTWUACFFQ-STQMWFEESA-N 288.416 3.705 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 185879590 UFENXRGTXUQQKT-JGGQBBKZSA-N 288.366 3.711 30 20 CHED CC(C)CC[C@H](C)NC(=O)c1cc(C#N)ccc1Cl 505952913 DZFMXVWSQHBRIT-NSHDSACASA-N 278.783 3.766 30 20 CHED CC[C@H](NCc1ccc(F)c(C#N)c1)c1nc(C)cs1 184417745 NCEFFCMFIBZIRM-AWEZNQCLSA-N 289.379 3.703 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H](C)C1CC1)c1ccc(F)c(F)c1 186052359 XJKHPJWGPAELJT-BONVTDFDSA-N 279.330 3.744 30 20 CHED C=CCC[C@@H](CCC)N[C@@H]1CCC[C@H]1OC(F)F 503921720 XIDAQNIHLCJZLV-JHJVBQTASA-N 261.356 3.871 30 20 CHED Cc1ccc(C(=O)NC2CC2)cc1NCCCC(C)(C)C#N 133690298 LLHBRXRNXMDPFL-UHFFFAOYSA-N 299.418 3.629 30 20 CHED CC[C@@H](CNC(=O)c1cccc(C#N)c1C)CC(F)(F)F 412662855 YFLYNDCVDFWMQU-LLVKDONJSA-N 298.308 3.575 30 20 CHED CCCN(Cc1ccc(F)cc1)[C@H]1CC[C@H](C#N)C1 411198211 DZBNYNLEFDUULB-HOCLYGCPSA-N 260.356 3.730 30 20 CHED OC(CCc1cscn1)=Nc1cnc2c(c1)CCCC2 329315940 SAKBHYXNLGVMCF-UHFFFAOYSA-N 287.388 3.638 30 20 CHED CC(C)c1ccsc1C(=O)Nc1ccc(C#N)cc1 48877044 NXKFYLFAZZPHDM-UHFFFAOYSA-N 270.357 3.995 30 20 CHED CSc1cncc(N[C@@H]2CCCc3cc(C#N)ccc32)n1 419014565 KRDMKRZWCHAPNA-CQSZACIVSA-N 296.399 3.560 30 20 CHED C=C(C)CCN[C@@H](c1ccc(OC)cc1)C(F)(F)F 509009133 XOVWRURMZHGHRR-ZDUSSCGKSA-N 273.298 3.854 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H](C)c1cccs1 131021747 VBMUXFCMKVSXGG-GFCCVEGCSA-N 285.368 3.775 30 20 CHED C[C@H](NC(=O)Nc1ccccc1F)c1ccc(C#N)cc1 47956012 QGDJYTCKVNROBU-NSHDSACASA-N 283.306 3.580 30 20 CHED CCc1nc(CN[C@@H](CCC#N)c2ccccc2)cs1 130436258 VLAPJKKKNBNMEX-HNNXBMFYSA-N 285.416 3.840 30 20 CHED C=CCSCCNC(=O)N1CCCC[C@@H]1[C@@H](C)CC 509185611 PGKPXPDLEVUVPZ-UONOGXRCSA-N 284.469 3.516 30 20 CHED C[C@@H]1OCC[C@]1(C)NC(O)=Nc1cccc(C2CCC2)c1 329840630 WKMZBSHQSRISQH-SJCJKPOMSA-N 288.391 3.657 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(Cl)c(N)c(Cl)c1 131963628 HVBQCMPDCZQIHU-HTQZYQBOSA-N 259.180 3.801 30 20 CHED CCCn1c(C(=O)NC2(C#N)CCCC2)cc2ccccc21 191190251 AVRNMOUANVEUAA-UHFFFAOYSA-N 295.386 3.617 30 20 CHED C=CCC1(C(=O)Nc2cc(C)ccc2OC)CCC1 191835262 GKTGZATVZOMUMH-UHFFFAOYSA-N 259.349 3.689 30 20 CHED C=CCN(CC=C)Cc1ccccc1C(C)(C)C#N 135230306 QAZPFOWTQLQIAE-UHFFFAOYSA-N 254.377 3.662 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 511394999 FKYCETJPMDYRSO-BZUAXINKSA-N 261.409 3.772 30 20 CHED C=CCSCCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 195728661 WBIFUKDEMLYGPM-LLVKDONJSA-N 295.473 3.522 30 20 CHED CC(C)Oc1ccc(CN(CCC#N)Cc2ccco2)cc1 81517553 ANVMHZARJSWVAW-UHFFFAOYSA-N 298.386 3.983 30 20 CHED CC(C)(C#N)CNC(=O)N1CCC[C@@H](c2ccccc2)CC1 512922023 FUGLWSPACJHDHG-MRXNPFEDSA-N 299.418 3.515 30 20 CHED O/C(=N/[C@@H]1CCCc2nc(O)ccc21)[C@@H]1CC12CCCC2 329955868 KZJBQKGAQVFUDL-GXTWGEPZSA-N 286.375 3.701 30 20 CHED O/C(CCC1CCCCC1)=N/Cc1noc(C2CC2)n1 328960037 PHJSJEKTQYNZJX-UHFFFAOYSA-N 277.368 3.764 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)C(F)(F)F 425682800 OHTMEKJKQFYXPL-NSHDSACASA-N 292.345 3.715 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccnc(N3CCCC3)c2)no1 424339324 PUPFCPAFLINYKC-UHFFFAOYSA-N 298.390 3.586 30 20 CHED C#CCOC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 83687209 BPJGJGJNEMMICM-UHFFFAOYSA-N 285.730 3.556 30 20 CHED CC#CCCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 428028488 UVUWZGQDDIIHLX-UHFFFAOYSA-N 289.684 3.502 30 20 CHED O/C(=N/C[C@@H]1CCCOC1)Nc1ccc(C2CCC2)cc1 330230817 WQTQKZOELAFAMR-ZDUSSCGKSA-N 288.391 3.707 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2ccccc2)cc1 84712114 KGBOLTZTAQEPBJ-MRXNPFEDSA-N 265.312 3.813 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccccc2C#N)cc1 194590792 HZMGZAFXANIQDG-FMIVXFBMSA-N 277.323 3.853 30 20 CHED C[C@H]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)C1 429594444 XQBLSLMNWUXGBQ-NHYWBVRUSA-N 262.784 3.832 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc(O)cc(F)c1 334950699 JVLXCQLWIDLOLC-GOSISDBHSA-N 296.345 3.570 30 20 CHED CC1(C)CCCc2cc(C#N)c(NC3CC(F)(F)C3)nc21 428664134 LRMPBAFJGCBZDG-UHFFFAOYSA-N 291.345 3.777 30 20 CHED Cc1ccc2c(C(=O)N[C@@H]3CCC[C@H]3C#N)csc2c1 331721318 KNAWJMHNFWWFTM-SMDDNHRTSA-N 284.384 3.632 30 20 CHED C=CCC[C@H](O)CN1CCC(c2ccc(F)cc2C)CC1 428721780 FUQGABOXTCGVFT-KRWDZBQOSA-N 291.410 3.641 30 20 CHED CC[C@H](C)C[C@@H](C)/N=C(/O)Nc1sc(C)nc1C 330933356 CNCAQIOYICDWLG-DTWKUNHWSA-N 269.414 3.911 30 20 CHED Cc1ccc2oc(=N[C@H](C)c3ccc(C#N)cc3)[nH]c2c1 513651459 ZZRGMFCYPKOMEX-GFCCVEGCSA-N 277.327 3.603 30 20 CHED COCCC(C)(C)CNc1ccc(C#N)c(Cl)c1 230837790 YYADNFRBZFETQP-UHFFFAOYSA-N 266.772 3.686 30 20 CHED C[C@@H](C#N)CN(C)Cc1csc(Cl)c1Cl 432745561 VEIDYDIXWVSTAQ-ZETCQYMHSA-N 263.193 3.646 30 20 CHED C[C@@H](Nc1cnccc1C#N)c1ccc(OC(F)F)cc1 339018095 ZSDAKBNSZOCZAM-SNVBAGLBSA-N 289.285 3.728 30 20 CHED OC(=Nc1cccc2ccc(O)cc12)[C@H]1CCCOCC1 330222838 MUNGICIGWJXYMA-ZDUSSCGKSA-N 285.343 3.950 30 20 CHED N#CCC[C@H](NC(=O)c1ccncc1Cl)c1ccccc1 439654166 KWEZOANGZKZBAB-HNNXBMFYSA-N 299.761 3.510 30 20 CHED CC(=O)c1ccc(N/C(O)=N/C2(C)CCCC2)cc1C 330492202 JOLQULLHEFLZRC-UHFFFAOYSA-N 274.364 3.856 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 249460252 QRWAHBQKSOWVRT-BJJXKVORSA-N 290.794 3.703 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccccc1C)C1CC1 522632282 RRIBWHNVJRCRRL-CZUORRHYSA-N 272.392 3.710 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)c1ccsc1 348540487 HYIXTBXRYTZIAR-GFCCVEGCSA-N 278.421 3.782 30 20 CHED N#CC1(CSCc2ncc(Cl)cc2Cl)CC1 346609393 XTSNJZVSZJYXKQ-UHFFFAOYSA-N 273.188 3.925 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1c(C)cccc1C 438450826 GMXGANMKGJQYQT-YJBOKZPZSA-N 289.419 3.709 30 20 CHED CCc1ccc(S(=O)(=O)[C@H](C)c2cccc(C#N)c2)cc1 340934094 VHRNWFPWQSZLIN-CYBMUJFWSA-N 299.395 3.656 30 20 CHED CCN(CCC#N)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 343873711 NQEFBTXXGMSAKI-KGLIPLIRSA-N 264.413 3.601 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2cn3ccccc3c2C#N)C1 341224760 PSAONJQXZGJKCU-GDBMZVCRSA-N 281.403 3.821 30 20 CHED C=CCN(Cc1ccn(C(F)F)n1)Cc1ccccc1F 347673141 CBLNYVYLUCUHDP-UHFFFAOYSA-N 295.308 3.606 30 20 CHED COc1ccc(Cl)cc1N[C@@H](C#N)Cc1ccccc1 604553170 WMRCOEFQEZXACH-CQSZACIVSA-N 286.762 3.895 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1 600871258 GEROLSGIBHTJAZ-HNNXBMFYSA-N 286.419 3.972 30 20 CHED C=CCOCCCC(=O)Nc1c(C)cc(OC)c(C)c1C 345947889 FOZCDJFLCDCRGC-UHFFFAOYSA-N 291.391 3.542 30 20 CHED Cc1ccsc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 345374748 MVKOXDDWLBXAIF-NSHDSACASA-N 295.367 3.731 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(SCC)nc1 343254222 BNNPMLHPGMERQI-GFCCVEGCSA-N 278.421 3.668 30 20 CHED CC[C@@H](C)n1ncc(Nc2c(C#N)cccc2C#N)c1C 436373756 VDYKSQFFOUSPLV-LLVKDONJSA-N 279.347 3.649 30 20 CHED N#Cc1cc(Nc2cccc(Nc3ccccc3)c2)ncn1 527134477 PMGNJTMMGKKVOY-UHFFFAOYSA-N 287.326 3.835 30 20 CHED Cc1cccc([C@@H]2CCN(C[C@H](C)CCC#N)C2)c1 602610423 WWPXEALNUZOVKD-NVXWUHKLSA-N 256.393 3.724 30 20 CHED C[C@@H](CC(=O)N(C)Cc1ccc(C#N)cc1)CC(C)(C)C 603872015 NDOWBDHZNAJARS-AWEZNQCLSA-N 286.419 3.979 30 20 CHED CC(C)(C)CCCCNC(=O)[C@]1(C#N)CC12CCCC2 448912130 RXXDNNIYYDOGRB-QGZVFWFLSA-N 276.424 3.793 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 449517318 FERJRBOLUQYQMG-KOZAUXTDSA-N 279.811 3.765 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(F)cc(Cl)c2)C1 536073716 XGSLVZHBTNTSPS-BMIGLBTASA-N 294.757 3.681 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)c1cc2ccccc2o1 531131512 VLUJCWPVQSDVHJ-CYBMUJFWSA-N 284.359 3.687 30 20 CHED C=CCN(Cc1nc2ccccc2[nH]1)Cc1ccccc1F 352659575 ODBQKNQHLNTRDW-UHFFFAOYSA-N 295.361 3.890 30 20 CHED CCOc1ccc(NC(=O)NCCCCC#N)cc1Cl 351972868 WKMYHIGRPCORTN-UHFFFAOYSA-N 295.770 3.554 30 20 CHED C=CCOc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)cc1 359191750 USDCDHRPKMSDGX-KRWDZBQOSA-N 299.414 3.902 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](c1cccnc1)C(C)C 352476525 IRCOSPPNSXYSRV-HNNXBMFYSA-N 274.408 3.540 30 20 CHED N#Cc1ccncc1NCCOc1ccc2ccccc2c1 354561924 OMCMFQCFXDXRPB-UHFFFAOYSA-N 289.338 3.597 30 20 CHED N#CCc1ccc(C(=O)NCCCCC2CCCC2)cc1 536200992 YPEIUDKZQHLFOV-UHFFFAOYSA-N 284.403 3.843 30 20 CHED C=CCCS[C@H](C)C(=O)N[C@@H](C)c1ccccc1C 610088860 HXDAFOUKZZBRTB-UONOGXRCSA-N 277.433 3.870 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C#N)cs1 267837577 SWUFVUXUFSSRFC-AAEUAGOBSA-N 276.405 3.661 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(NS(C)(=O)=O)cc1 449049354 YMAOFRHLLITKGT-ZDUSSCGKSA-N 296.436 3.605 30 20 CHED Cc1cc(NC(=O)Nc2ccc(C#N)cc2)cc(C)c1O 443162714 SWNBDHJMXSVGAK-UHFFFAOYSA-N 281.315 3.525 30 20 CHED C=CCN(C(=O)CSCc1cccc(Cl)c1)C1CC1 357497681 XUNUFZKPFOMVSH-UHFFFAOYSA-N 295.835 3.750 30 20 CHED Cc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)cc1 536876952 RBQANPWJHGPMGH-OAHLLOKOSA-N 280.371 3.596 30 20 CHED C=CC(C)(C)CNCc1ccc(OC[C@H]2CCCO2)cc1 449483457 ASYRMKHSZFPLML-QGZVFWFLSA-N 289.419 3.546 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](C)c1ccc(C#N)cc1 448664226 LIVISJKDMLQGEK-JQWIXIFHSA-N 298.308 3.714 30 20 CHED CC1(C)Cc2cccc(N[C@@H](C#N)Cc3ccccc3)c2O1 616033801 ZPEVNAXGWYFKQR-MRXNPFEDSA-N 292.382 3.947 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1(c2ccccc2)CC1 539472412 JVQNGPBHLVWOFX-AWEZNQCLSA-N 272.392 3.720 30 20 CHED COCCN(Cc1cccc(C#N)c1)c1ccc(F)cc1C 533064944 ZSMOCHSWDCMFIZ-UHFFFAOYSA-N 298.361 3.659 30 20 CHED Cc1cccc(C2=CCN(C(=O)C3(C#N)CC(C)C3)CC2)c1 539993999 IUBWDISIDDPSGB-UHFFFAOYSA-N 294.398 3.551 30 20 CHED C=C(C)COc1cc(CN2C[C@@H](C)[C@H](C)C2)ccc1OC 539825058 KPMDJZIFLBLIDM-HUUCEWRRSA-N 289.419 3.738 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1sc(C(C)C)nc1C 453372744 VBSZQUGIZBZFKH-UHTWSYAYSA-N 280.437 3.569 30 20 CHED N#Cc1ccc(NCCCc2cccs2)c([N+](=O)[O-])c1 539887246 TZELGIPADSFCRB-UHFFFAOYSA-N 287.344 3.573 30 20 CHED CC[C@H](NCC1(COC)CCCC1)c1ccc(C#N)cc1 453375238 IBRFBSFMDYCART-KRWDZBQOSA-N 286.419 3.806 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)N(C)CC(C)(C)C#N)CCC2 458793459 KWXJDWWJLJXIMV-MRXNPFEDSA-N 299.418 3.564 30 20 CHED CN(C(=O)c1csc(C(C)(C)C)n1)c1ccccc1C#N 269836861 MTMMGZRKWZBUBA-UHFFFAOYSA-N 299.399 3.589 30 20 CHED CC#CCCCC(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 458030123 PXKVVCZLAPBMRK-MSOLQXFVSA-N 283.415 3.975 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2cccc(Cl)c2F)C1 612295167 ANEXMHZBDXDFOD-CQSZACIVSA-N 295.745 3.637 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1scnc1C(C)C 456441908 RXHUTBSPPMUNMF-JTQLQIEISA-N 252.383 3.807 30 20 CHED CCCCNc1ccccc1C(=O)N(C)CC(C)(C)C#N 452149607 VAFSGYTZCLYBBS-UHFFFAOYSA-N 287.407 3.520 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 457001462 ACMRXFHGFCZZHI-LBPRGKRZSA-N 288.366 3.596 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccc(F)cc1Cl 276356365 XPJVYODDLYUMHP-NXEZZACHSA-N 254.736 3.822 30 20 CHED C=CCCOCCCCC(=O)NCc1cc(C)cc(C)c1 618160145 WMPPDCOOHTUFQI-UHFFFAOYSA-N 289.419 3.683 30 20 CHED Cc1ccc2ccccc2c1C[S@](=O)CCCC#N 276745342 WVZALYJSQFXLSM-LJQANCHMSA-N 271.385 3.701 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])s1 618693757 OQARATZJKJANQM-GFCCVEGCSA-N 285.328 3.627 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)CCCc1cccnc1 457968581 XCPWROSJWSZRBQ-HNNXBMFYSA-N 286.419 3.677 30 20 CHED Cc1ccc(C)c(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 278761274 XVOARCDFFCCVRN-IRXDYDNUSA-N 298.430 3.839 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccc(-c3ccsc3)cc2)C1 618308129 UMYIYYFVAHJPKA-INIZCTEOSA-N 286.375 3.853 30 20 CHED C=CCCc1noc([C@H](C)c2cn(C)c3ccccc23)n1 453231859 INMJEQDFAXBYHK-GFCCVEGCSA-N 281.359 3.832 30 20 CHED C=C(CC)CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F 456833344 ZSUHYUYSUASTIW-ZDUSSCGKSA-N 285.309 3.805 30 20 CHED C=CCC1(C(=O)N(C)c2nc3ccccc3n2C)CCCC1 450631882 IKDQTMOOPJTZTG-UHFFFAOYSA-N 297.402 3.673 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1cccc(C2CC2)c1 452189655 UZFVOWMWDROBAK-CQSZACIVSA-N 269.388 3.935 30 20 CHED CCOC[C@H]1CCCCN1Cc1ccc(Cl)cc1C#N 459695389 APRMXDLTOMSIHC-MRXNPFEDSA-N 292.810 3.603 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 452775017 NIVCGCRFLNIUNF-LPHOPBHVSA-N 283.415 3.609 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1csc(C(C)C)n1 453331599 BXHUBWZHUJQOCS-SCRDCRAPSA-N 280.437 3.651 30 20 CHED C[C@H](C#N)CN(C)c1nccc2cc(C(F)(F)F)ccc12 450258792 SRCNSOQTMNYWKG-SNVBAGLBSA-N 293.292 3.849 30 20 CHED N#CCc1ccc(CN2CCSc3ccccc32)cc1 543140214 WJQXDVITMIXJNO-UHFFFAOYSA-N 280.396 3.865 30 20 CHED C#CCCCC(=O)N1CCC(=Cc2ccccc2F)CC1 277036713 OPUDJDTYFDVYMO-UHFFFAOYSA-N 285.362 3.635 30 20 CHED Cc1ccc(CNc2nccc(C)c2C#N)c(OC(C)C)c1 542211065 HRNHWCXJEUFMLQ-UHFFFAOYSA-N 295.386 3.969 30 20 CHED C=CCN(C(=O)Nc1ccccc1N(C)CCC)C1CC1 627101133 WMLLSENQGIQHCM-UHFFFAOYSA-N 287.407 3.715 30 20 CHED CC#CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 278850418 LILFVEFXTSITPL-INIZCTEOSA-N 269.388 3.671 30 20 CHED CC[C@@H]1CCCN(c2cc(C(C)=O)ccc2C#N)CC1 542505856 ASDGUGXOIBHWKV-CQSZACIVSA-N 270.376 3.777 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc(OCC=C(C)C)c1 461037459 JBPHJYLXVFVBJT-AWEZNQCLSA-N 273.376 3.726 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)CCc1n[nH]c2ccccc12 467404482 KNTNAIWZHGGZCB-UONOGXRCSA-N 271.408 3.828 30 20 CHED N#Cc1cccc(CN2CCC=Cc3ccccc32)c1 467280359 QVRJVOKGIWEFKP-UHFFFAOYSA-N 260.340 3.982 30 20 CHED N#Cc1cnccc1/C=C/c1c[nH]nc1-c1ccccc1F 376958601 RJOKCYPACCZXDQ-AATRIKPKSA-N 290.301 3.653 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(C)cnc1Cl 281273181 BGVQCBIRMQNAQY-SNVBAGLBSA-N 267.760 3.520 30 20 CHED C=CCC[C@@H](NCCCC(=O)N(CC)CC)c1ccco1 285692533 OODNAXIJONSISL-OAHLLOKOSA-N 292.423 3.525 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CC(C)C)C1CCCC1 280500889 CASWILSSLLDDDG-UHFFFAOYSA-N 274.364 3.501 30 20 CHED N#Cc1cccc(CN[C@H]2CCC[C@H]2CCCF)c1 282849386 XBQXIQSAZVMJQE-HOTGVXAUSA-N 260.356 3.566 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)sc1C 280718857 FKPLYGUDSKUXND-BJJXKVORSA-N 279.449 3.997 30 20 CHED C=CCOc1ccc(C(=O)Nc2nc(C(C)C)co2)cc1 637636019 ULUULYHDYGSEPT-UHFFFAOYSA-N 286.331 3.615 30 20 CHED C=C(CNC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 286799027 SLTZASMOHRDCSM-CQSZACIVSA-N 279.330 3.642 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c2ncccc12 468111268 QOFWNLFFQCGRKE-QGZVFWFLSA-N 284.359 3.784 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1[C@H]1CCCC[C@H]1C 639404160 KVIYALBOJKYLGC-KEYYUXOJSA-N 284.403 3.893 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1 474407194 DNVKBHVEIVGWDO-UKRRQHHQSA-N 256.349 3.713 30 20 CHED Cc1cnc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)s1 295919162 MTGLALDYTMKOOU-VOTSOKGWSA-N 289.404 3.608 30 20 CHED C=C(CC)COc1ccc2cc(C(=O)OC)oc2c1 478838042 OEIGABHJIGINBS-UHFFFAOYSA-N 260.289 3.564 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 295262170 KZHUJOZKUWDBCU-LLVKDONJSA-N 291.395 3.507 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1cc(C#N)ccc1O 802892106 ZMXDSNAVOLGGBE-UHFFFAOYSA-N 284.315 3.541 30 20 CHED C=CCCCCNC(=O)c1sc(CC(C)C)nc1C 471705768 LNIYZODUCGAIEX-UHFFFAOYSA-N 280.437 3.736 30 20 CHED Cn1cc(C=NNCC2CCCC2)c(C2CCCCC2)n1 808007060 NQKFUEHPCCASBK-UHFFFAOYSA-N 288.439 3.582 30 20 CHED C=CCCCCNC/C=C/c1ccc(F)cc1F 472043844 RHMNDZGIDPEFJM-VOTSOKGWSA-N 251.320 3.924 30 20 CHED N#Cc1nnc2ccccc2c1N1CC(C2CCCCC2)C1 294204429 UJXWRTPLZQLCIX-UHFFFAOYSA-N 292.386 3.518 30 20 CHED N#Cc1cccc(NCc2ccc3c(c2)OCCCCO3)c1 566049625 VXWCCRSLCRQVAQ-UHFFFAOYSA-N 294.354 3.722 30 20 CHED C=CCCCCSCc1noc(C(C)(C)C)n1 561256459 XUJCCPKBECRRCU-UHFFFAOYSA-N 254.399 3.957 30 20 CHED CC(C)c1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1 298783617 AVACYXPYUSCCJK-UHFFFAOYSA-N 296.370 3.959 30 20 CHED C=CCCCCNC(=O)c1cc2cccc(C)c2o1 471674651 VBLAMFKFRIEPSA-UHFFFAOYSA-N 257.333 3.827 30 20 CHED CC(=NNc1cccc(F)n1)c1c(F)cccc1Cl 807987702 MWANPAMJIXJQLT-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=CCOCCCSc1ncc(-c2ccc(F)cc2)[nH]1 475961948 YZSAHCBONGIWQF-UHFFFAOYSA-N 292.379 3.901 30 20 CHED CCN(Cc1cc(C#N)cs1)c1ccccc1C 475116575 FOLHKVSMPXPLFF-UHFFFAOYSA-N 256.374 3.955 30 20 CHED CC(=NN[C@H]1CCSC1)c1ccc2ccccc2c1 808003509 ZMQWQDFUVSZOCT-INIZCTEOSA-N 270.401 3.659 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC1(C2CC2)CC1 472128439 PMJNGTQWQWTWNU-UHFFFAOYSA-N 298.430 3.965 30 20 CHED C=CCOCCN[C@H]1CCCc2ccc(SC)cc21 647299489 MHORTYUDNXSQES-INIZCTEOSA-N 277.433 3.578 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2ccc3[nH]ncc3c2)CS1 814900294 MEFFEQIVGLDQJK-AWEZNQCLSA-N 288.420 3.882 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3ccc(C#N)cn3)C2)cc1 486481154 SFTFBCFUNSECJV-WMLDXEAASA-N 277.371 3.644 30 20 CHED C=CCCCOc1c(C#N)cnc2ccc(C)cc12 488287318 BXAIWZYBVDAIQJ-UHFFFAOYSA-N 252.317 3.760 30 20 CHED N#Cc1cncc(NC2(Cc3ccc(Cl)cc3)CCC2)n1 563838814 BSBKXVXBFGFCIG-UHFFFAOYSA-N 298.777 3.579 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccc(Cl)nc2C)cc1 816525890 MEYBSHCWRGRLAS-UHFFFAOYSA-N 298.773 3.596 30 20 CHED C#CCN(C)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 812006308 VNRCAIYCBZHVKV-KRWDZBQOSA-N 284.403 3.583 30 20 CHED C[C@@H](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CC1 819736685 MZMBQKNRZZDLTM-QWHCGFSZSA-N 270.376 3.514 30 20 CHED C=CCCN[C@H](C)Cc1ccccc1C(F)(F)F 658113923 JPAQEGGOTYAMNZ-LLVKDONJSA-N 257.299 3.802 30 20 CHED CC(C)OC1CC(=NNc2nccc3sccc23)C1 814809273 VFZOAZFBEINCKF-UHFFFAOYSA-N 275.377 3.652 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)c1cccc(C)c1 811889318 SJDOAJDPWYMVLK-UHFFFAOYSA-N 277.367 3.572 30 20 CHED CC(=NN[C@H](C)c1ccccc1)[C@H](C)CCCCC(=O)O 814815179 PFVUTHYTVJXFET-UKRRQHHQSA-N 290.407 3.994 30 20 CHED CCN(Cc1ccc2ccccc2c1O)C[C@@H](C)C#N 816493275 VSTXIHBZXHYVIQ-ZDUSSCGKSA-N 268.360 3.527 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(C(F)(F)F)c1 814688996 RKXTYZLWWJUSIP-UHFFFAOYSA-N 279.208 3.855 30 20 CHED CC(C)[C@H]1CC(=NNc2cccc([N+](=O)[O-])c2)CS1 814694407 IXQPKPNCOXEQIR-CYBMUJFWSA-N 279.365 3.524 30 20 CHED CC(Cc1ccc(F)cc1Cl)=NOCC(F)F 817326993 ZZBGWNOOHLDQOB-UHFFFAOYSA-N 265.662 3.679 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1cccc(C(F)(F)F)c1 488830464 FKZAVHPNSXRHFV-CQSZACIVSA-N 297.320 3.815 30 20 CHED CSCCON=Cc1ncc(-c2ccccc2)s1 811647880 FRRCKEOZEJAGIO-UHFFFAOYSA-N 278.402 3.524 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@H](C)c1nccs1 657974259 NOZPVGQAASJVDS-BFHYXJOUSA-N 264.438 3.971 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 577935935 ZMPNZAKTMYQONO-GWCFXTLKSA-N 298.308 3.774 30 20 CHED CC1(C)CC(=NNc2ccc(C(F)(F)F)cn2)C1 814709540 BXXHXKITGWDFBU-UHFFFAOYSA-N 257.259 3.688 30 20 CHED CCc1c(C)sc(NC(=O)CCC(C)(F)F)c1C#N 727790357 DLTNFRFFRMMJKR-UHFFFAOYSA-N 286.347 3.865 30 20 CHED C=CCCc1noc(-c2cc(C)n(C3CCCCC3)n2)n1 651358265 LCICYEHHADUKLI-UHFFFAOYSA-N 286.379 3.865 30 20 CHED C=CCC1(C(=O)NC2CC3(CCC3)C2)CCCCC1 652967916 BNVZNYSLLDRJSM-UHFFFAOYSA-N 261.409 3.962 30 20 CHED C=CCCCC(=O)Oc1c(C(=O)O)ccc2ccccc12 825671283 KFZLCXCPHLHSSE-UHFFFAOYSA-N 284.311 3.800 30 20 CHED CC(C)c1cnc(CN(C)[C@H](C)c2cccc(C#N)c2)o1 823617709 LFVUUKYCDACPHI-CYBMUJFWSA-N 283.375 3.863 30 20 CHED CC(Cc1ccsc1)=NNc1ncnc2sccc12 729635996 CDFIFLJNWSLALA-UHFFFAOYSA-N 288.401 3.783 30 20 CHED C[C@@](C#N)(NC(=O)/C=C\c1ccsc1)C1CCCCC1 492913650 RDLIPHVYBXWVIM-PTZVLDCSSA-N 288.416 3.740 30 20 CHED N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)nc1 577814084 YTTNVHLBEGRMSN-SFHVURJKSA-N 295.361 3.723 30 20 CHED C=C(C)CN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 497197205 DQAWPIZLJZCNIW-UHFFFAOYSA-N 286.331 3.863 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C)CCCc1cccnc1 821332402 OEYLSCRULGYOKN-CQSZACIVSA-N 275.392 3.938 30 20 CHED C=CCN(CC=C)C(=O)C1(C(F)(F)F)CCCCC1 665104933 GXKMDRDBXHUYQW-UHFFFAOYSA-N 275.314 3.700 30 20 CHED C=CC[C@@H]1CCCN([C@H](C)c2nc(C(C)C)no2)C1 661379186 VNMVRWMIAFDWKN-CHWSQXEVSA-N 263.385 3.542 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C#N)ccc1F 829015660 GJIGWNGSEHPQIS-BLLLJJGKSA-N 288.366 3.738 30 20 CHED CC(C)C[C@H](C)CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N 499766455 BPNLJEKWOZGBJS-ULQDDVLXSA-N 278.440 3.596 30 20 CHED Cc1ncsc1/C=C\C(=O)O[C@@H](C)c1ccc(C#N)cc1 588519361 UCPDEGWFZDZCGA-KRZKBDHCSA-N 298.367 3.641 30 20 CHED C[C@@H]1CC[C@@H](CCC(=O)OCCCCC2(C#N)CCC2)O1 909036292 WTGLUWQAXKAZPC-CABCVRRESA-N 293.407 3.741 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)cnc2Cl)C1 822861126 BNWKKEDAWAWEMW-GFCCVEGCSA-N 293.798 3.863 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCc1cccc(F)c1F 732713822 LPGUSSPSAKRPRP-OCKHKDLRSA-N 295.716 3.985 30 20 CHED C=CC[C@@H](C)NC(=O)CCCc1ccccc1Cl 583759756 ZQXSKVHNWKDANI-GFCCVEGCSA-N 265.784 3.744 30 20 CHED CCCCCCCC[C@H](N)c1nc([C@H]2CCCOC2)no1 904693810 BYBNQTXVBXTPPB-KBPBESRZSA-N 295.427 3.714 30 20 CHED CCCCCCCCC[S@@](=O)Cc1nncs1 905221771 SGVHANYRZGCRNN-QGZVFWFLSA-N 274.455 3.537 30 20 CHED CC(C)(C/N=C/c1cccc(O)c1O)c1cccc(F)c1 735618441 ALOHPMLVBJMGQP-VXLYETTFSA-N 287.334 3.634 30 20 CHED C=CC[S@@](=O)Cc1csc(-c2ccc(CC)cc2)n1 905170065 WREFUUFGMHUJSE-LJQANCHMSA-N 291.441 3.807 30 20 CHED Cc1nc(/C=C2/C[C@H](C)c3ccccc3C2=O)[nH]c1C 901486306 ARSRTGWKSVILOM-AVMBBCFPSA-N 266.344 3.800 30 20 CHED CC[C@@H](NC[C@@](C)(O)c1ccccc1)c1cccc(C#N)c1 902804364 PBGUHXUGRJZQDF-RTBURBONSA-N 294.398 3.507 30 20 CHED CC(C)CC(CC(C)C)C(=O)[C@@H](C#N)c1ccccn1 835061669 URLSIPCEGWHPNE-HNNXBMFYSA-N 272.392 3.966 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)OC1CCCC1 830264843 XJNWHPRQSJBBMD-UHFFFAOYSA-N 286.375 3.848 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H]3C[C@H]32)c1 588066736 XESYXULWYDWLIN-ZYHUDNBSSA-N 266.266 3.566 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1cccs1 739421841 PRXXGSNCYZTOGL-UHFFFAOYSA-N 285.294 3.998 30 20 CHED C=CC(C)(C)Cc1nc(COc2cccc(F)c2)no1 904725395 DKRQWAHTMKLZOM-UHFFFAOYSA-N 276.311 3.542 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1ccsc1 739426281 SEQQTJAJGBDJOG-HYXAFXHYSA-N 273.313 3.861 30 20 CHED Cc1nn(C)c2nccc(OCCC3(C#N)CCCCC3)c12 581933864 YRDQGQNCNRCRTQ-UHFFFAOYSA-N 298.390 3.520 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)OCCCC(C)(C)C#N 837846586 OEZFQCWJZDPPNA-CHWSQXEVSA-N 251.370 3.686 30 20 CHED C#CCOc1ccc(C(C)=NN[C@@H](C)c2ccccc2)cc1 733203295 CEPQNNDFAGSPNC-HNNXBMFYSA-N 292.382 3.773 30 20 CHED C#Cc1cccc(CN[C@@H](CCC)c2cccnc2)c1 834901578 AARBGSQYQOJIET-SFHVURJKSA-N 264.372 3.694 30 20 CHED CC[C@H](CC(C)C)C(=O)OCCCC(C)(C)C#N 838251663 JASPCVLXMWHZKL-CYBMUJFWSA-N 253.386 3.932 30 20 CHED Cc1nc(-c2ccc(NC(=O)C#CC(C)(C)C)cc2)co1 837325735 DOXMIEJJQPYVBP-UHFFFAOYSA-N 282.343 3.638 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@@H]2Cc2ccccc2)n1 735609294 RVFTZWLIOUZHSJ-MRXNPFEDSA-N 294.402 3.904 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccncc1 734681549 WVLGXHKZQFTCBJ-IRXDYDNUSA-N 299.418 3.673 30 20 CHED CCO[C@H](C)c1nccn1CCCCC1(C#N)CCC1 901530440 RXJYSWJSCDVLOI-CQSZACIVSA-N 275.396 3.845 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc2ccccc2c1 838754380 AEZWGSYXACHXBQ-UHFFFAOYSA-N 281.359 3.901 30 20 CHED Cc1ccc2c(c1)OCC/C(=C/c1cncn1C(C)C)C2=O 901484959 ARFJMDXBIZQZCT-ZROIWOOFSA-N 296.370 3.821 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NN[C@H](C)C(F)(F)F)C1 834998263 SDSCFRNRCQZOQD-NEPJUHHUSA-N 299.340 3.944 30 20 CHED C=CCN(Cc1ccccc1F)Cc1n[nH]c2ccccc12 678209384 PETFXXBMOCXZSA-UHFFFAOYSA-N 295.361 3.890 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(COC(C)(C)C)cc1 674988842 QIJGMBADUXVXQY-GFCCVEGCSA-N 276.380 3.698 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)cc(C)c2)C1(C)C 736427699 PFAPDBWPZDQTHQ-HNNXBMFYSA-N 260.381 3.906 30 20 CHED C#CCOc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1 733634647 VOXCQBWPRQZWAS-UHFFFAOYSA-N 294.354 3.959 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)OCc1ccc(CC#N)cc1 835273912 TVWQYFYJKXTQCL-SUMWQHHRSA-N 271.360 3.622 30 20 CHED CCCn1cccc1C=NNc1ccc(C(F)(F)F)cn1 918153703 JWYBYHLZESQBTE-UHFFFAOYSA-N 296.296 3.758 30 20 CHED C[C@@H](OC(=O)c1ccccc1CC#N)c1ccccc1F 919035098 WGLQTPLSTMVOIE-GFCCVEGCSA-N 283.302 3.810 30 20 CHED N#Cc1ccc(-c2ccc(SC3CCOCC3)nc2)cc1 593954944 URPVLDMFGUSDDS-UHFFFAOYSA-N 296.395 3.891 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H](C)c2ccco2)cc1 594028511 SXKMEEVMJHPFKY-BBRMVZONSA-N 296.370 3.669 30 20 CHED N#Cc1ccc(C=NNc2ccc(Cl)c(Cl)c2)o1 743436520 YJVPOVXNEHMBGP-UHFFFAOYSA-N 280.114 3.904 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C1CCCCCC1 741642393 FUYBRYANEOVKMW-UHFFFAOYSA-N 289.350 3.747 30 20 CHED CSCC1(CCNc2ccc(C#N)cc2F)CC1 596427656 LIFPQZVIMOXXRF-UHFFFAOYSA-N 264.369 3.643 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1cccnc1 916260398 ZKWIFUYGBKXDDK-UHFFFAOYSA-N 279.265 3.937 30 20 CHED C=CCC1(C(=O)NCC2(SCC)CC2)CCCCC1 598337661 QWYUCHOTTKOAEQ-UHFFFAOYSA-N 281.465 3.915 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCc3ccccc3C2)CC1 590646153 WJHFWHDLHPSLBL-MNNVXMFVSA-N 282.431 3.854 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](C)c1cccc(CC(C)C)c1 594090955 JBXYLZOYGCVUMA-WMLDXEAASA-N 286.419 3.749 30 20 CHED CCc1ccccc1NN=C1COc2ccc(F)cc21 918151851 DBMZROBFDRICLE-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C=CCCCN1CCC(CCNC(=O)OC(C)(C)C)CC1 844442960 RVTWEPYVIAOSPO-UHFFFAOYSA-N 296.455 3.579 30 20 CHED COc1ccccc1-c1cc(C#N)cc(N2CCCC2)c1 596626361 GOGGOXCMQNWFHW-UHFFFAOYSA-N 278.355 3.834 30 20 CHED C[C@@H](C#N)N(C/C=C\c1ccc(Cl)cc1)C1CC1 595710000 LMLSCMVDNJNGSV-DLGQBQFBSA-N 260.768 3.730 30 20 CHED CCCn1ccc2ccc(NC(=O)[C@H](C#N)CC)cc21 593497018 IJBJMISAQMQDPD-LBPRGKRZSA-N 269.348 3.540 30 20 CHED CCCCCCCCCNC(=O)[C@H](O)c1ccccc1 746117003 QPMTUEDILWYUGJ-MRXNPFEDSA-N 277.408 3.587 30 20 CHED COC(=O)c1cc(CSCCC(C)(C)C#N)cs1 596363533 IMCHYVLRUGSYOD-UHFFFAOYSA-N 283.418 3.708 30 20 CHED CC#CCOC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 744994379 KNKIGDUDBZXHHR-IAGOWNOFSA-N 264.324 3.510 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1NC(=O)CC1(C#N)CCCCC1 597296350 LJWFTMXYXBTLTC-FUHWJXTLSA-N 296.414 3.697 30 20 CHED CC(=O)c1ccc(C#N)cc1NC[C@@H](C)CC(F)(F)F 840371515 YUDJMJDMDVPUMF-VIFPVBQESA-N 284.281 3.761 30 20 CHED C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 593598087 NFYJPLIEIVHSDJ-LRDDRELGSA-N 290.794 3.596 30 20 CHED C[C@H](OC(=O)CCCc1cccnc1)c1ccc(C#N)cc1 849860420 DRCRFUUGGCYENM-AWEZNQCLSA-N 294.354 3.580 30 20 CHED O=C(OCCC#Cc1ccccc1)c1cc2ccsc2[nH]1 744187353 OKCLFEUVUUKSEH-UHFFFAOYSA-N 295.363 3.828 30 20 CHED N#Cc1cccc(/C=C2\Cc3c(F)ccc(F)c3C2=O)c1 749588724 FZIAAORCQBBIOA-KPKJPENVSA-N 281.261 3.659 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597904701 JMQKOVXEDXMBSO-SJLPKXTDSA-N 296.414 3.889 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccnn2CC(C)C)o1 843269794 RBNJOMBTBQWDIB-FNORWQNLSA-N 272.348 3.591 30 20 CHED N#CCCCCCC(=O)N(CC#N)c1ccc(Cl)cc1 592652870 PVQWJVUDDVTSDL-UHFFFAOYSA-N 289.766 3.671 30 20 CHED COc1ccccc1C=NOCc1cc(C)ccc1C 849849594 BBSMYLRWLLSAFH-UHFFFAOYSA-N 269.344 3.863 30 20 CHED C=C[C@H](C)ONC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 846549168 NELKHRRQEPVHIQ-RYUDHWBXSA-N 281.783 3.531 30 20 CHED CCCCSCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842939335 PDFULRWRTYINTJ-NSHDSACASA-N 294.445 3.730 30 20 CHED O=C1/C(=C/c2cccc(OC(F)F)c2)Oc2ccccc21 742437454 UFVWSPADLMPCHH-ZROIWOOFSA-N 288.249 3.904 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C2CCC2)C1 591061825 JZIUSMUNHVUBEH-CXAGYDPISA-N 254.377 3.741 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/C[C@H]1CCCCO1 920387525 QQVRMHTXKQXXNS-PFJSLNBISA-N 288.174 3.687 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)[C@H]1C[C@H]1C 841622567 XNICAWKIEXVPMM-ZJUUUORDSA-N 260.341 3.504 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cccc3c1OCCO3)C2=O 921269965 QFWNYNMVDBRGSJ-XNTDXEJSSA-N 292.334 3.589 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cccc(O)c1)C2=O 921263318 BKNIMZQHHCHSCF-RIYZIHGNSA-N 250.297 3.523 30 20 CHED CCCCCCCOC(=O)c1cnc(CC)s1 920839199 WUXXGQYTCFWWJI-UHFFFAOYSA-N 255.383 3.833 30 20 CHED O=[N+]([O-])c1ccc2c(c1)C(=NNc1ccccn1)CCCC2 841608911 KHEBZDNVVXBMEB-UHFFFAOYSA-N 296.330 3.532 30 20 CHED C=CC[C@@H]1CCC(=NNc2ccc(C(=O)O)cc2OC)C1 844590429 WAEAPZMIGSHGEF-LLVKDONJSA-N 288.347 3.538 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C(C)=C\c1ccco1 847447219 ZXBJDQFHIOFFSJ-OWBHPGMISA-N 288.391 3.861 30 20 CHED FC(F)CNN=Cc1cc(C(F)(F)F)ccc1Cl 753708817 JYWGGYMQHNYXCM-UHFFFAOYSA-N 286.631 3.547 30 20 CHED CC(C)CC1(NCc2ccc(O[C@H](C)C#N)cc2)CC1 850404599 PBCNTIFZUVWPNK-CQSZACIVSA-N 272.392 3.646 30 20 CHED C#CCCCOC(=O)/C=C(/C)c1cccc(Cl)c1 750689960 QKNMBVKIJNWADO-BENRWUELSA-N 262.736 3.700 30 20 CHED C=CCCCCCOc1nnc(-c2ccccc2)o1 683738098 IQKCTTQEVBKFPY-UHFFFAOYSA-N 258.321 3.862 30 20 CHED CC(C)CN(CCC#N)C(=O)CC(C)(C)c1ccccc1 751372836 CSBAXGNXCYGMKM-UHFFFAOYSA-N 286.419 3.753 30 20 CHED C=CC[C@@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccncc1 921748644 YZPWKHXHBWCRQW-RDTXWAMCSA-N 294.398 3.812 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)Cc1ccc(C)nc1 851144882 UCCOAEYPDNLGGO-JKSUJKDBSA-N 273.376 3.611 30 20 CHED C=CC[C@@H](C)C(C)=NNc1cc(F)cc(OC)c1 759210044 MIPRRTILRFMNNT-SNVBAGLBSA-N 250.317 3.834 30 20 CHED COc1ccc(N=Cc2cccc(O)c2O)cc1Cl 920943159 QCBWGXPIHFAFBI-UHFFFAOYSA-N 277.707 3.510 30 20 CHED N#CCCCOC(=O)Cc1cc2c(ccc3ccccc32)o1 753444960 WOINSHGDUMBIKL-UHFFFAOYSA-N 293.322 3.975 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1CCN(c2ccccc2)CC1 924739808 BYLDFRJSCFSGLY-HNNXBMFYSA-N 285.435 3.573 30 20 CHED C=C[C@](C)(CCOC)COC(=O)CC1(C#N)CCCCC1 850973341 QZEWHQYKEKJAIS-MRXNPFEDSA-N 293.407 3.623 30 20 CHED Cc1ccc(SCC(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851213381 FUYJUUWNMPHPPE-ZDUSSCGKSA-N 291.416 3.959 30 20 CHED CCC/C(C)=C\C(=O)[C@@H](C#N)C(=O)Nc1ccc(CC)cc1 920324575 PXBPUELPZZTZTR-DVFVSVACSA-N 298.386 3.643 30 20 CHED C=CCCONC(=O)c1ccccc1NC1CCCCC1 856034429 GVWNKIDTXYZOMM-UHFFFAOYSA-N 288.391 3.669 30 20 CHED C=C[C@@H](C)NC(=S)Nc1ccc(Cl)cc1Cl 756795131 GVOBHLSMUTWWOJ-SSDOTTSWSA-N 275.204 3.854 30 20 CHED C#C[C@@H](CC)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 754368796 QKOJEHMMGJTWMP-HNNXBMFYSA-N 291.822 3.827 30 20 CHED C#Cc1ccccc1C(C)=NNc1cc(F)c(F)cc1F 753700323 GCMMMQYOCXLBRE-UHFFFAOYSA-N 288.272 3.921 30 20 CHED CSc1ccc(/C=C/C(=O)N[C@@H](C#N)C(C)(C)C)s1 859917005 SJYMNZXZQVPHEO-ZRQQLDRUSA-N 294.445 3.538 30 20 CHED CCS[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)C(C)C 851210225 OYHYUGRRCMTOEE-RYUDHWBXSA-N 271.426 3.636 30 20 CHED C#CC[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1 757580324 RXBYVBKJKOSQQS-IBGZPJMESA-N 289.378 3.670 30 20 CHED C[C@@H](NN=Cc1cc2ccncc2s1)C(C)(C)C 853349699 FQABKLFSPBZOQL-SNVBAGLBSA-N 261.394 3.654 30 20 CHED C[C@H](OC(=O)[C@@H](C)C1CCCC1)c1cccc(C#N)c1 750697234 NAPUNMRMCYEAPL-STQMWFEESA-N 271.360 3.989 30 20 CHED CCCCCCCCNC(=O)[C@H](C)c1c(C)noc1C 754854035 LQWQQHLWRWVBLD-GFCCVEGCSA-N 280.412 3.872 30 20 CHED CCOc1cc(C)ccc1C/N=C/c1cccc(OC)c1O 756776662 YFENSDVSCPJXRR-XDHOZWIPSA-N 299.370 3.727 30 20 CHED Cc1cccc(C)c1NC(=S)NN=C[C@H](C)CCC#N 765993084 JXJAILKEUOLCDB-LLVKDONJSA-N 288.420 3.516 30 20 CHED C=CCN(C(=O)NC1(C(F)(F)F)CCCCC1)C1CC1 933424908 GJJZCZRZDRPWEN-UHFFFAOYSA-N 290.329 3.612 30 20 CHED CCc1cccc(NC(=S)Nc2cc(CC#N)ccn2)c1 763169487 SOLSBWFGMQQAMG-UHFFFAOYSA-N 296.399 3.519 30 20 CHED N#CC1(CCCCN2CCSC[C@@H]2C2CC2)CCC1 930641872 HKYVVOHJUWCSHH-OAHLLOKOSA-N 278.465 3.678 30 20 CHED CC(C)[C@]1(CO)CCCN(CCCCC2(C#N)CCC2)C1 930585643 VWEKNFQKGJTTGJ-GOSISDBHSA-N 292.467 3.581 30 20 CHED C#CCCCN[C@H]1CCc2cc(Cl)cc(Cl)c21 760330710 SYCPTCCMDHTCEM-ZDUSSCGKSA-N 268.187 3.984 30 20 CHED C#CCOc1cccc(OCc2ccc(C)c(OC)c2)c1 864046669 MJVWEPBRYFJAHH-UHFFFAOYSA-N 282.339 3.595 30 20 CHED Cc1cccc(F)c1NN=C1CCc2c(O)cccc21 769839520 DLHSTOAESLBRFU-UHFFFAOYSA-N 270.307 3.602 30 20 CHED CC(C)(C)c1ccc(CC(=O)OCCCCC#N)cc1 767658168 UUSAUDAIJSBIJH-UHFFFAOYSA-N 273.376 3.764 30 20 CHED C#CCN(Cc1ccn(C2CCCC2)n1)C1CCCCC1 763399016 YRURJJRGNPPITE-UHFFFAOYSA-N 285.435 3.766 30 20 CHED CON=Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 869245713 SLOFNBVXUGIJLG-UHFFFAOYSA-N 282.343 3.536 30 20 CHED C=CCN(C(=O)Nc1cccc(-c2cc[nH]n2)c1)C(C)C 767924039 NLAANKBORMZAHP-UHFFFAOYSA-N 284.363 3.505 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(SC(F)(F)F)c1 861654936 VIVMQLRTTCGYQR-MRVPVSSYSA-N 290.310 3.995 30 20 CHED CC(C)c1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)n1 762077253 XOZQSZIDLBSJAP-CYBMUJFWSA-N 294.354 3.995 30 20 CHED O=C(CC#Cc1ccccc1)Oc1ccc2cccnc2c1 1116855844 QHGNJQHINUTZQR-UHFFFAOYSA-N 287.318 3.582 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1C[C@H]1C1CCCCC1 1116273676 LONMBSMJGJDSON-ZWKOTPCHSA-N 281.399 3.513 30 20 CHED C=CCCCCNCc1c(C(C)C)nn(C)c1Cl 769936065 IEHMTOIMPXKKDS-UHFFFAOYSA-N 269.820 3.643 30 20 CHED CC(CC1CCC1)=NNc1ccc(F)c([N+](=O)[O-])c1 769828487 IODBZAOKYNXFFO-UHFFFAOYSA-N 265.288 3.712 30 20 CHED COc1ccc(NCCCCOC(C)(C)C)cc1C#N 871866734 LWSCBIJNWKPEKS-UHFFFAOYSA-N 276.380 3.574 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(Cl)c(Cl)c1O 1116643696 SLDCGFWWOJPPSZ-BDAKNGLRSA-N 290.190 3.551 30 20 CHED C=CCOc1ccc(COC(=O)C2(C)CC(F)(F)C2)cc1 873522187 RBTXORFKYOMUNI-UHFFFAOYSA-N 296.313 3.730 30 20 CHED O=C(/C=C/c1cccc(Br)n1)c1ccsc1 777916461 JDPNKXJSXPELQK-SNAWJCMRSA-N 294.173 3.802 30 20 CHED C#CCCN[C@H](C)c1ccccc1OCc1ccccc1 775208411 YVESSDIUZIRHTM-MRXNPFEDSA-N 279.383 3.940 30 20 CHED C=CC(C)(C)CC(=O)N1CC=C(c2ccccc2)C1 879394381 FRPYWYZWSTWZBE-UHFFFAOYSA-N 255.361 3.515 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CC[C@H](SC)C1)c1ccccc1 777696610 YGPYYPIXOYPNHM-PMPSAXMXSA-N 289.444 3.747 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ccc2c(c1)COC2 777932275 ICZGLVAFRIBMOY-UHFFFAOYSA-N 285.730 3.821 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2coc(-c3ccccc3)n2)C1 1116807829 VYWYYFPGNNJESD-HOCLYGCPSA-N 295.386 3.556 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2cccc(OC)n2)cc1 779818488 ROAHFVWXYYZWEI-LBPRGKRZSA-N 299.374 3.690 30 20 CHED Cc1ccc(N(Cc2ccccc2)C(=O)[C@@H](C)C#N)cc1 1116183057 HWUXHVFVLBIMST-HNNXBMFYSA-N 278.355 3.688 30 20 CHED CCCCCCCCNC(=O)N1CC[C@H]1C(C)C 776056355 OPWWUDZNKSQZOD-AWEZNQCLSA-N 254.418 3.787 30 20 CHED C#CCCN[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 775022830 YQANPFSCURWFGW-CQSZACIVSA-N 287.403 3.691 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1cccc(OC)c1 776204006 UFPSVFVGYAFABC-GFCCVEGCSA-N 278.421 3.726 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc2nccnc12 1123335655 AEJFKNYKTOFYGN-CYBMUJFWSA-N 296.374 3.592 30 20 CHED CC[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C 1559770078 YBWKNCKESOAETQ-DGCLKSJQSA-N 262.784 3.832 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNCc1ccc(C#N)cc1 773207771 KCSIRKIINOKERM-PBHICJAKSA-N 267.376 3.626 30 20 CHED CCCn1cc(N[C@@H](CC)c2ccc(C#N)cc2)cn1 774302937 MOJURTKLOXARKN-INIZCTEOSA-N 268.364 3.728 30 20 CHED C=CC[C@H](C)N1CCC(c2ccccc2C(=O)O)CC1 883406213 LZVYFZQPKPPBJS-ZDUSSCGKSA-N 273.376 3.529 30 20 CHED Cc1cc(CN[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1C#N 1461024474 UQMWHVJMFLLRNI-DNUAJFIVSA-N 268.404 3.781 30 20 CHED COCc1ccc(C=NNc2ccc(C#N)c(Cl)c2)cc1 783880422 IJZPNVVTIGGYRY-UHFFFAOYSA-N 299.761 3.804 30 20 CHED C#CCCCNCc1cc(Cl)cc(C(F)(F)F)c1 780529058 VOVFMQSSWCJZRR-UHFFFAOYSA-N 275.701 3.862 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C[C@@H]2CCc3ccccc3C2)C1 1129609256 QUHCJBOVXCQRSK-RKVPGOIHSA-N 297.398 3.807 30 20 CHED CC[C@@H]1CCC[C@H](C=NN[C@@H]2CCOC(C)(C)C2)C1 780252543 JWQDQLNURKEHRU-QLFBSQMISA-N 266.429 3.736 30 20 CHED Cc1ccc(C(=O)OCC2(CC#N)CC2)c(Cl)c1C 783388861 BNRAQSUKEFYMHS-UHFFFAOYSA-N 277.751 3.808 30 20 CHED C=C[C@H]1CCCCN1C[C@H](O)c1ccc(C(F)(F)F)cc1 785998615 JGROPCDTVLKDTA-GJZGRUSLSA-N 299.336 3.779 30 20 CHED C=CCCN(C)C(=O)c1ccccc1SC(F)(F)F 786672419 YCGQZYMLLVTJMU-UHFFFAOYSA-N 289.322 3.947 30 20 CHED Cc1cc(C)c(COC(=O)c2cccc(CC#N)c2)c(F)c1 785922118 RNKMGBIOWWMPBU-UHFFFAOYSA-N 297.329 3.866 30 20 CHED C#CCC1(C(=O)N[C@@H](C)CNc2ccccc2)CCCCC1 788587628 GQXSKISDELUMBX-INIZCTEOSA-N 298.430 3.577 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1cncs1 787172694 OSRATMKFYKAVCC-GQCTYLIASA-N 266.325 3.587 30 20 CHED C=C1CN(C(=O)C2(Cc3cccs3)CCCCC2)C1 898703408 GBHNIGKKQQUWHH-UHFFFAOYSA-N 275.417 3.640 30 20 CHED C=C(C)[C@H](CC(=O)Nc1nsc2ccccc12)OCC 892433678 IOJZSHRKEQAEIN-LBPRGKRZSA-N 290.388 3.606 30 20 CHED N#Cc1ccc(NN=C/C=C\c2ccco2)cc1Cl 783878465 UTHCITXNNYFFTP-UXEJMFGZSA-N 271.707 3.916 30 20 CHED C[C@H]1CCC(=NNc2nc3ccccc3[nH]2)[C@@H](C)C1 783791538 WGTNQSPQGRVKSY-QWRGUYRKSA-N 256.353 3.787 30 20 CHED COc1ccc2nc(/C=C\C(=O)c3ccco3)sc2c1 788733355 VQXOHWALQCCSHT-SREVYHEPSA-N 285.324 3.794 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1cc(C)nn1C 789033677 JARIMDWMAGKWNU-UHFFFAOYSA-N 297.280 3.550 30 20 CHED O=C(O)c1csc(/C=C/C(=O)c2c[nH]c3ccccc23)c1 782200934 OXSYSHYPEVJGCU-AATRIKPKSA-N 297.335 3.824 30 20 CHED COc1ccc(NN=C2CCC(C)(C)C2)c([N+](=O)[O-])c1 783856867 MIHFDZZXLFMZAR-UHFFFAOYSA-N 277.324 3.581 30 20 CHED C[C@@H](CCC#N)CNCCC1CCC(F)(F)CC1 898031736 MZBWHORMEHYHCC-LBPRGKRZSA-N 258.356 3.731 30 20 CHED CC1(C)C[C@@H](NN=C2CCc3c(Cl)cccc32)CCO1 780240457 COZQFMOGIJLXNL-NSHDSACASA-N 292.810 3.538 30 20 CHED COc1ccc2cc(C(C)=NOC[C@@H]3CCOC3)ccc2c1 788037883 ZSJHJEVFZKRTMD-CQSZACIVSA-N 299.370 3.626 30 20 CHED CC(=NNc1nc2ccccc2s1)[C@]1(C)CCCO1 782099258 ZDXGNGLXUROKOW-AWEZNQCLSA-N 275.377 3.653 30 20 CHED CC/C(=C/C(=O)N1CCC[C@](C)(C#N)C1)c1ccc(C)cc1 784745044 IFAVBJRESHOBAS-KVVHSQDJSA-N 296.414 3.941 30 20 CHED C[C@H](CCC#N)CNc1ccc(-c2ccon2)cc1 897363719 MYWYSNKSVCUOQR-GFCCVEGCSA-N 255.321 3.693 30 20 CHED N#Cc1cc(C(=O)OCc2sccc2Cl)ccc1F 791031706 OEBGOCNTWDGHSP-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C=CCC1(c2nc([C@H](C)OCC(F)(F)F)no2)CCC1 896611396 QFDOMYIELLBPEC-VIFPVBQESA-N 290.285 3.707 30 20 CHED CC1(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)CCCCC1 792108737 KLUZVYPYWVVHQM-ZDUSSCGKSA-N 293.370 3.776 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C[C@@H](C)c1ccncc1 799443367 XODBJMKHQIIVKG-CYBMUJFWSA-N 294.354 3.615 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc(C(C)=O)cc1 798376407 XZMGSVSPBQSDAJ-CYBMUJFWSA-N 276.405 3.530 30 20 CHED C=C1CC(c2noc(C(F)(F)c3c(F)cccc3F)n2)C1 896883668 RUJUKGKKGCEYQB-UHFFFAOYSA-N 298.239 3.922 30 20 CHED C#C[C@H](C)N(C)Cc1nc(-c2ccc(C)cc2)cs1 796048751 BXVHVXSBIYBRJC-ZDUSSCGKSA-N 270.401 3.572 30 20 CHED COc1ccc(C)cc1/C=C1\CCc2ccc(O)cc2C1=O 794960456 SCKSCVZTQRQSKI-GXDHUFHOSA-N 294.350 3.922 30 20 CHED N#Cc1ccc(CCC(=O)OCc2cccc(Cl)c2)cc1 792750279 HDNZPBOGUNLJGR-UHFFFAOYSA-N 299.757 3.888 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@H]2CCC(F)(F)C2)c1 797397588 FLLMRANNRHQFPX-TZQXVGBESA-N 283.318 3.645 30 20 CHED CC(C)=CCCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 790999193 ASBYBCCBBXHLEN-UHFFFAOYSA-N 295.304 3.529 30 20 CHED CCCCCCCCCNC(=O)C[C@H]1CCC(=O)[C@H]1C 792970342 STOPTJBDNCJSRQ-LSDHHAIUSA-N 281.440 3.859 30 20 CHED C#C[C@H](NC(=O)c1oc2c(C)ccc(C)c2c1C)C(C)C 799046690 JJRNSOZWZZPEQK-AWEZNQCLSA-N 283.371 3.746 30 20 CHED C[C@H](NN=C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C 793113913 COIAIPXAVKJTCY-XLRHZJOHSA-N 275.352 3.618 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1 578073561 QBPAAQOFIZNVOO-MQMHXKEQSA-N 256.349 3.517 30 20 CHED CCC(CC)C(=O)Nc1ccc(Cl)cc1C#N 695686501 RLCBEEWWBLGDMD-UHFFFAOYSA-N 250.729 3.586 30 20 CHED Cc1cccc([C@H](C)NC(=O)Nc2ccc(CC#N)cc2)c1 1214205877 PSZOZFRGCWTUIE-AWEZNQCLSA-N 293.370 3.944 30 20 CHED C=C(Br)CN1CCc2c(C)cc(C)cc2C1 1169418852 BTUUUEQXXBAJPK-UHFFFAOYSA-N 280.209 3.570 30 20 CHED C[C@@H](NCCc1ccc(N(C)C)cc1)c1cccc(C#N)c1 1319835655 DHYTZZFDXIWTSG-OAHLLOKOSA-N 293.414 3.518 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(C)c2ccccc12 1327336319 QZADZKZUVYEJHA-UHFFFAOYSA-N 277.367 3.634 30 20 CHED CC[C@@H]1CC[C@H](C)C[C@H]1NCc1cccc(OCC#N)c1 1326916225 REMQRKIUFHYYBI-YXJHDRRASA-N 286.419 3.893 30 20 CHED CC(=O)c1ccc(OCCc2ccc(C#N)cc2)cc1F 1188761398 UIIAQIZHHGLKHN-UHFFFAOYSA-N 283.302 3.521 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3CCC(F)(F)C3)o2)cc1 1327352583 GRKIUYPBHMNYBC-LLVKDONJSA-N 275.258 3.511 30 20 CHED C[C@H](COc1ccccc1F)N[C@H](C)c1ccc(C#N)cc1 1254184010 IFXYRSCPTGCSOO-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1nc2ccccc2o1 1336215022 ACPXHINRTALNCT-AWEZNQCLSA-N 298.386 3.718 30 20 CHED C=C(C)CCC(=O)N1CCC(c2ncc(C)s2)CC1 1337193605 ZIFHPAMGWYNBSN-UHFFFAOYSA-N 278.421 3.514 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(OCC(=C)Cl)cc1 1338111494 CKMQXJISBLXDMM-ZFWWWQNUSA-N 295.810 3.670 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1coc2cc(C)c(C)cc12 1340891848 KDSVRQULLMSEJH-CYBMUJFWSA-N 284.359 3.814 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(C)=O)cc1F 1262654900 VULFLCHSPNNQFP-CQSZACIVSA-N 289.350 3.599 30 20 CHED N#CC1(C(=O)O[C@H]2CCc3cc(F)ccc32)CCCCC1 1265738220 RBJZNFPCALCWFB-HNNXBMFYSA-N 287.334 3.830 30 20 CHED N#Cc1cc(C(=O)N[C@@H](c2cccs2)C2CC2)cs1 1347771576 QNZYPCRGRBFKIW-CYBMUJFWSA-N 288.397 3.562 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 1347521816 MLUKHTRUZGCANQ-HNNXBMFYSA-N 268.360 3.739 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)O[C@H]1CC[C@H](C#N)C1 1344489699 OJULTQHZIDQIDH-GVXVVHGQSA-N 293.363 3.542 30 20 CHED N#Cc1cccc(NC(=O)CCSCC2CC=CC2)c1 1350498999 CFCPNEHZJDAOCW-UHFFFAOYSA-N 286.400 3.586 30 20 CHED C[C@H]1CCN(CCCCC2(C#N)CCC2)CCS1 1351399659 PWJBNDVMENXXOA-AWEZNQCLSA-N 266.454 3.678 30 20 CHED Cc1cc(Cl)c(C(=O)N(C)c2ccc(C#N)nc2)cc1C 1437307191 YAIZSLCOSVOCLF-UHFFFAOYSA-N 299.761 3.500 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)[C@@H](CC#N)c1ccccc1 1353600790 MVPZZDPWALOUSW-OHFALNGGSA-N 284.403 3.625 30 20 CHED Cc1ccc(C2(CNc3cccc(C#N)n3)CC2)c(C)c1 1458404906 XWFQISQJHIFSGD-UHFFFAOYSA-N 277.371 3.714 30 20 CHED CCCc1ccc(C(=O)Nc2sccc2C#N)s1 1523571321 WWHSJBZVIBHNJI-UHFFFAOYSA-N 276.386 3.886 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCCC2CCCC2)C1 1460798158 PTAHQBKXPRIQTD-CABCVRRESA-N 263.381 3.972 30 20 CHED CCCC[C@H](CC)CC(=O)N(CC)[C@@H](C#N)CC 1536521855 PUANDOXMZGHYNS-UONOGXRCSA-N 252.402 3.744 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2cccc(C#N)c2)[C@@H]1C 1475916993 NOSPYIRTRYCBSJ-UMVBOHGHSA-N 285.391 3.752 30 20 CHED Cc1ccnc(N[C@@H](Cc2ccccc2)C(C)C)c1C#N 1612899455 PFMNBAXNGNSIJD-KRWDZBQOSA-N 279.387 3.941 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(Oc2ccccc2)n1 1617243447 HTTYCSHQBGNFCI-UHFFFAOYSA-N 295.342 3.752 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2ccc3c(c2)CCCC3)n1 1472752311 IZRPKAIQUNFAHV-GFCCVEGCSA-N 292.386 3.709 30 20 CHED CS[C@H](C(=O)N(C)c1ccccc1C#N)c1ccccc1 1544540192 VOTOYSDRMMBSBD-INIZCTEOSA-N 296.395 3.625 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C)c(-n2cccc2)c1 1626863030 UBHSUMZUZQHHLI-INIZCTEOSA-N 295.386 3.550 30 20 CHED CC(C)Oc1cccc(CN2CCc3ccc(C#N)cc32)c1 1559718984 PIZCRCOVKHSKPY-UHFFFAOYSA-N 292.382 3.908 30 20 CHED CCC[C@H](CNc1nc(C(C)(C)C)ccc1C#N)OCC 1559245438 AZRMKDONQDWFPF-CQSZACIVSA-N 289.423 3.868 30 20 CHED CCCOc1ccc(Nc2cc(C#N)nc(CC)n2)c(C)c1 1642115911 KDFMFXZOUGHLRU-UHFFFAOYSA-N 296.374 3.752 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c(C)n1 1585045826 CLPGBNWUAMSJCT-GOEBONIOSA-N 299.418 3.598 30 20 CHED Cc1cc(=N[C@@H](C2CCCCC2)C2CCC2)c(C#N)c[nH]1 1651179693 LBZPKMMSHCCGCC-SFHVURJKSA-N 283.419 3.845 30 20 CHED N#Cc1cc(F)cc(NC[C@H]2CCOc3ccccc32)c1 1657816752 FLDKOSOGFJMXMF-CYBMUJFWSA-N 282.318 3.676 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)O[C@H]2CCC[C@@H](C#N)C2)C1 1583566699 ZOFNSJIGACAUIP-SEBNEYGDSA-N 263.381 3.684 30 20 CHED Cc1cc(C)cc(C2CCN(c3cccc(C#N)n3)CC2)c1 1652304505 FMADJKYQKKRLDT-UHFFFAOYSA-N 291.398 3.954 30 20 CHED C=C(CNC(=O)N[C@@H](C)C[C@H](C)CC)c1ccccc1 1669519100 VWBUGFPDYRVQBG-HIFRSBDPSA-N 274.408 3.824 30 20 CHED CC1(C)CCC/C(=C\c2ccc(/C=C/C(=O)O)o2)C1=O 1593885528 MMUVIJDUXXXRAZ-ZDVGBALWSA-N 274.316 3.540 30 20 CHED COc1cc(NC(=O)Nc2ccc(C)cc2)c(F)cc1C#N 1663620806 ZEGHENUJIQPKFW-UHFFFAOYSA-N 299.305 3.658 30 20 CHED Cc1cc(C)cc(NC(=O)CSc2cccc(C#N)c2)c1 158675251 ZDRYTXAEOVTAJX-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CC1(C)CN(c2cccc(Cl)c2C#N)CCS1 158760212 WCTBJHTYBFZZGO-UHFFFAOYSA-N 266.797 3.543 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)s1 155071321 QAJMKARXTMWPPF-CQSZACIVSA-N 268.385 3.609 30 20 CHED CC[C@H](SCC(=O)N(CC)CCC#N)c1ccccc1 156366491 IMRIIHVGVPQKPI-HNNXBMFYSA-N 290.432 3.633 30 20 CHED COCCOc1ccc(NCC(C)(C)CCC#N)cc1F 157379922 UTUGMFCCZDQDNQ-UHFFFAOYSA-N 294.370 3.593 30 20 CHED N#Cc1cccc(C(=O)N(c2ccccn2)C2CCCC2)c1 154485332 ZYMGXLKZMKYKQX-UHFFFAOYSA-N 291.354 3.543 30 20 CHED C[C@H](C#N)Oc1ccc(-c2nc3c(F)cccc3n2C)cc1 154513785 XFTRKSUXHOJSOZ-LLVKDONJSA-N 295.317 3.670 30 20 CHED N#Cc1c(F)cccc1Oc1ncnc2cccc(F)c12 339290691 QRHDFJQBYMARBX-UHFFFAOYSA-N 283.237 3.572 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 510044644 WTDVNMYASLOJPO-KBPBESRZSA-N 284.403 3.952 30 20 CHED C=CCN[C@H](C)C(c1ccccc1)c1ccccc1 19875912 GNPCXLCHWPNOEA-OAHLLOKOSA-N 251.373 3.983 30 20 CHED COc1cccc([C@H](C)NCCCC(C)(C)C#N)c1 148306575 TXJZZWZPOSLFGF-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED CC(C)c1ccc(CNc2ccc(C#N)cn2)cc1 44381993 XTNJXYMCYWIJGS-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C[C@H]1CCCC[C@H]1CNCCc1cccc(C#N)c1 466421320 DBWDVWNBKYXRAY-YOEHRIQHSA-N 256.393 3.517 30 20 CHED CC(C)[C@H](CNc1ccc(C#N)nc1)c1ccccc1 301508138 JRZDYMULTWGLCP-KRWDZBQOSA-N 265.360 3.805 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCC[C@@H]1C 69615547 KTZSXWAIQABFBM-FZMZJTMJSA-N 271.364 3.567 30 20 CHED C=CCOCCN[C@@H](C)c1oc2ccccc2c1C 311989109 VFLKYPDWOFFAJZ-ZDUSSCGKSA-N 259.349 3.594 30 20 CHED C[C@@H](Cc1cccs1)Nc1ccc(CC#N)cc1 613540372 PKJNVXJPGHGJIM-LBPRGKRZSA-N 256.374 3.857 30 20 CHED C=CCCCN1CCC2(CC1)CCN(Cc1ccccc1)C2 534964219 WJIHQFOMJKMGFJ-UHFFFAOYSA-N 298.474 3.941 30 20 CHED C=C(CC)CN(Cc1ccccc1)C[C@](C)(O)CC 439253052 ARYWDQLZDRMQMZ-QGZVFWFLSA-N 261.409 3.616 30 20 CHED CCCCCCCNC1CCN(CC(F)(F)F)CC1 703782161 GSTRQEAJXICQEJ-UHFFFAOYSA-N 280.378 3.573 30 20 CHED Cc1nc(NC2CCC(F)(F)CC2)c(Cl)cc1C#N 360065496 IRVGFSYAXLYHRY-UHFFFAOYSA-N 285.725 3.905 30 20 CHED CCc1ccc(Nc2ncccc2C#N)cc1Cl 691227612 MNNCXJIXDZCLRA-UHFFFAOYSA-N 257.724 3.913 30 20 CHED C=CC[C@H](CC)NCc1csc(C(C)(C)C)n1 393760882 LENUFPYUKHYRAS-NSHDSACASA-N 252.427 3.885 30 20 CHED N#Cc1cccc(OCCN2CCC[C@@H]2c2ccsc2)c1 51853146 JVDOWUMDGCPOAY-QGZVFWFLSA-N 298.411 3.836 30 20 CHED C=CC1CCN(Cc2coc(-c3ccccc3)n2)CC1 111257123 JVGKDISAXNGKSU-UHFFFAOYSA-N 268.360 3.740 30 20 CHED Cc1ccc(C)c(CNc2cc(F)cc(C#N)c2)c1 600856021 JJLXJKDQOARYTK-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 107593717 OFKXTSNZMQNPII-FSPWUOQZSA-N 292.382 3.704 30 20 CHED C#Cc1cccc(NC(=O)c2sc(CC(C)C)nc2C)c1 110589123 XMGJZCBMYOZCLK-UHFFFAOYSA-N 298.411 3.884 30 20 CHED C=C(C)COc1cc(CN[C@H](C)C2CC2)ccc1OC 57959729 LFOTYZMSJXSYBI-CYBMUJFWSA-N 275.392 3.538 30 20 CHED CCS[C@H]1CCCCN(c2ccc(C#N)cc2)C1 112081438 CWHBGHKFUOPGCR-HNNXBMFYSA-N 260.406 3.670 30 20 CHED Cc1nc(S[C@H](C#N)C2CCCCC2)oc1C 115187047 CJCGOTSNGLAALU-GFCCVEGCSA-N 250.367 3.856 30 20 CHED CCCCCCCCCN1CC[C@@H](C(=O)O)[C@@H](C)C1 302499213 KUMCIUOLKCOXBH-LSDHHAIUSA-N 269.429 3.780 30 20 CHED C=CCN(Cc1cccs1)Cc1cccnc1C 119944728 GBJRSUVEJGIOKF-UHFFFAOYSA-N 258.390 3.640 30 20 CHED FC(F)(F)CC/N=C(/Nc1ccccc1)N1CCCCC1 304754406 LVYWQZVNRCCZCK-UHFFFAOYSA-N 299.340 3.893 30 20 CHED C=CCS[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 114756830 WWEWMHOTLRZZMV-QWRGUYRKSA-N 283.824 3.825 30 20 CHED C[C@H](OC(=O)CCc1cccs1)c1ccc(C#N)cc1 175790674 VFCSZWATKYCSNK-LBPRGKRZSA-N 285.368 3.857 30 20 CHED N#CCOc1ccc(CNC/C=C/c2ccc(F)cc2)cc1 178745152 OEFJBEBUVMEXHT-OWOJBTEDSA-N 296.345 3.531 30 20 CHED C[C@H](C(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1F 176576393 USSDVHILZCJBKT-BLLLJJGKSA-N 288.366 3.518 30 20 CHED C=CCCSCc1nc(CCc2ccccc2)no1 174603050 DLPJMBYBUJNBKG-UHFFFAOYSA-N 274.389 3.664 30 20 CHED Cc1csc([C@H](NCc2cccc(C#N)c2)C2CC2)n1 174542916 BUHOVJBDGGIMAI-OAHLLOKOSA-N 283.400 3.564 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 352561553 XWCLRANEDIOFCZ-JYAVWHMHSA-N 271.364 3.504 30 20 CHED COc1cc(CCN[C@H](C)c2ccc(C#N)cc2)ccc1C 174124851 KEOWMZYPRJLUFM-OAHLLOKOSA-N 294.398 3.769 30 20 CHED Cc1cnc(CNc2ccccc2SC[C@@H](C)C#N)o1 127927165 YWBAVTUCZZMUOY-NSHDSACASA-N 287.388 3.847 30 20 CHED C=C(C)CCC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 1357846939 HULZXHFWFTYIMJ-LLVKDONJSA-N 262.378 3.799 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 127165992 DBEGKVMNRZZSFS-SNVBAGLBSA-N 278.768 3.519 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCc1ccc(CC(C)C)cc1 120878522 KMTZLOCREWUSNK-SFHVURJKSA-N 286.419 3.626 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cccc(OC)c2)cc1 33410622 LIPQXABAYAKUJH-GHXNOFRVSA-N 282.339 3.990 30 20 CHED C=CCSCCN[C@@H](C)C1CCC(F)(F)CC1 474031438 HNKNHTHGZBEMIW-NSHDSACASA-N 263.397 3.709 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](C)OCCCC)c1 66462893 CIHCBDDCTMOIBB-AWEZNQCLSA-N 291.391 3.785 30 20 CHED C=C(C)CNc1ccccc1OC[C@H]1CCCCO1 63471960 UXLSCBMLTWTLNN-CQSZACIVSA-N 261.365 3.623 30 20 CHED N#Cc1ccc(Cl)cc1NCCC(=O)Nc1ccccc1 301297458 YJQMWDCXZTUJEL-UHFFFAOYSA-N 299.761 3.652 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(OC)cc1C 183090542 LYLTWYQHWDPXQH-ZDUSSCGKSA-N 276.380 3.870 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(c2ccccc2C)CC1 182603144 JBWHTFQSNIULII-HNNXBMFYSA-N 271.404 3.888 30 20 CHED Oc1ccccc1/C=N/CC1(c2ccccc2)CCOCC1 32074521 KRIBJZWYGNJBJA-XSFVSMFZSA-N 295.382 3.560 30 20 CHED COc1ccc([C@@H](C)CCN[C@H]2CCC[C@H](C#N)C2)cc1 185833387 AFQASXFVDZHIMK-ZOBUZTSGSA-N 286.419 3.861 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 215751693 DHNQBGNLLRZGOV-VURMDHGXSA-N 283.283 3.505 30 20 CHED C=CCOCCCC(=O)Nc1ccc(F)cc1NC(C)C 73920553 WAMJTKHHBRECIH-UHFFFAOYSA-N 294.370 3.567 30 20 CHED Cc1cccc(NCC(=O)Nc2cccc(C#N)c2)c1Cl 72912857 JIEBTQNCGLFVOX-UHFFFAOYSA-N 299.761 3.571 30 20 CHED COc1cc(C#N)cc(Cl)c1OCCC1(OC)CCC1 418814339 CUYIJENMYRNJSX-UHFFFAOYSA-N 295.766 3.558 30 20 CHED C[C@@H]1C[C@H]1[C@H](Nc1nccnc1C#N)c1ccc(Cl)cc1 78424165 DYXHUXSURJNUKR-WDBKCZKBSA-N 298.777 3.811 30 20 CHED CC(C)(CCC(=O)NCC1(C#N)CCC1)c1ccccc1 416346287 KUBWLZHAMKVNQZ-UHFFFAOYSA-N 284.403 3.554 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@@](C)(c3ccccc3)C2)n1 500283013 WXZCZDBOIYPNNC-LJQANCHMSA-N 291.398 3.820 30 20 CHED C=CC[C@H](C(=O)N(CCC)CCC)c1ccccc1 186445644 OAQLJWLRYPKKQK-INIZCTEOSA-N 259.393 3.995 30 20 CHED Cc1nn(C)cc1/C=C1/COc2ccc(C(C)C)cc2C1=O 121098172 PJOOPVQOUMHVTP-CHHVJCJISA-N 296.370 3.511 30 20 CHED CC[C@@H](C)CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 188799022 BSWHZBUXNLIDMP-GFCCVEGCSA-N 297.320 3.609 30 20 CHED N#CC1(CNC2CCC(c3ccccc3)CC2)CCC1 418144939 VXQPUGRTTYCKSX-UHFFFAOYSA-N 268.404 3.996 30 20 CHED C=CCC[C@@H](NCCOCC(F)F)c1ccccc1 189854771 SYYIHKZSFWDTKG-CQSZACIVSA-N 269.335 3.565 30 20 CHED CC(C)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187278096 VHKQOLMNHWKKJM-UHFFFAOYSA-N 264.413 3.647 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)c2cccc(F)c2C#N)C1 188552108 OLGXVQOBKWVIQN-CYBMUJFWSA-N 288.366 3.596 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)c1cccc(SCC#N)c1 79532584 NLWMBOGKWZGDER-CHWSQXEVSA-N 290.432 3.857 30 20 CHED C=CCCC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 73277736 CTHFTJCECLEQTQ-QMMMGPOBSA-N 292.326 3.695 30 20 CHED CC1(C)C[C@@H](CNc2c(Cl)cccc2C#N)CCO1 413333354 JIGOMRKLUYVIFQ-NSHDSACASA-N 278.783 3.829 30 20 CHED CC(C)CSCCCNCC(C)(C)CCC#N 120616206 ZADYKJOZOSCPON-UHFFFAOYSA-N 256.459 3.685 30 20 CHED CC[C@H](C)CCC(=O)Nc1cc(C)c(N(C)C)cc1C#N 415702011 GEZTTXZPMQTXGP-LBPRGKRZSA-N 287.407 3.698 30 20 CHED C=C(Br)CN[C@@H](C)CCc1ccc(OC)cc1 125047043 YNTZTZIZSOXUFN-LBPRGKRZSA-N 298.224 3.515 30 20 CHED CC1(C)CCC[C@H]1C(=O)N1CCCc2cc(C#N)ccc21 411004688 WYGZKTPLWFAIED-HNNXBMFYSA-N 282.387 3.664 30 20 CHED C=C(C)COCCN[C@@H](CCC)c1ccsc1 187796148 URYPERMTPYUZFO-AWEZNQCLSA-N 253.411 3.772 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416713712 NWEFINGFGGVIFI-WBVHZDCISA-N 297.402 3.590 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C 414588437 VUANYKDTOVRYKL-UONOGXRCSA-N 292.448 3.692 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 46911465 RRDATJUUYZMNGL-RYUDHWBXSA-N 296.292 3.865 30 20 CHED C=CCC[C@H](C(=O)N(CC)CC(F)F)c1ccccc1 189082999 NPWJFCCUFNWVOK-AWEZNQCLSA-N 281.346 3.850 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 44819203 DDWDPHOMVYHYEB-OLZOCXBDSA-N 296.292 3.865 30 20 CHED C=CCC[C@@H](NC(=O)CC[C@@H]1CCOC1)c1ccccc1 133752242 ZXBPENQVXYFVMI-NVXWUHKLSA-N 287.403 3.627 30 20 CHED C=CCOc1ccc(C(=O)N2CCC(C)(CC)CC2)cc1 504863259 IVXSDEMUVKZXLZ-UHFFFAOYSA-N 287.403 3.904 30 20 CHED Cc1nc2c(/C(O)=N/C[C@@H]3C[C@H]4CC[C@H]3C4)cccc2o1 329968420 WARNNPBAKBXQIW-AVGNSLFASA-N 284.359 3.877 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 410530456 WYODIYQDFBDAPQ-UHFFFAOYSA-N 282.265 3.728 30 20 CHED N#Cc1ccc(C(=O)N2CCCC3(CCCCC3)CC2)o1 505394981 KMMRKELNCCIYMH-UHFFFAOYSA-N 286.375 3.728 30 20 CHED C[C@H]1CC[C@@H](C)N1C(O)=Nc1cn(C)nc1-c1ccccc1 329533057 KDIPGTZYNWSXBR-BETUJISGSA-N 298.390 3.505 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 504676341 HPQILHJFYVIKPC-FYNNLBNCSA-N 295.386 3.504 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416713708 NWEFINGFGGVIFI-NVXWUHKLSA-N 297.402 3.590 30 20 CHED Cc1nsc(NC[C@@H](C)c2ccccc2)c1C#N 131727381 KZZIYIYRIOYCNO-SNVBAGLBSA-N 257.362 3.539 30 20 CHED CCc1ccc([C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)C)cc1 502338009 ZQHLNGMRHMKJQX-KRWDZBQOSA-N 295.386 3.576 30 20 CHED C[C@]1(/N=C(/O)CCc2ccnc3ccccc23)CCCOC1 329152625 TVWVSNGQQYQKQQ-SFHVURJKSA-N 298.386 3.693 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1cc(F)ccc1F 194169467 HFDVOCJGUWHWSU-UHFFFAOYSA-N 299.386 3.623 30 20 CHED CCc1ccc([C@H](C)NCc2ccc(C#N)s2)o1 421895974 YZFRTCZSRDSHIU-JTQLQIEISA-N 260.362 3.626 30 20 CHED CC(C)(C)c1ncc(CN2CCC[C@](C)(C#N)C2)s1 612407096 YPZYGTNHXWFEMT-OAHLLOKOSA-N 277.437 3.566 30 20 CHED CCc1cc(C2CC2)nc(N=C(O)[C@@H]2CC[C@@H](C)C2)n1 329677165 WMPVKWHMEKVDGM-ZYHUDNBSSA-N 273.380 3.941 30 20 CHED Cc1csc([C@@H](N[C@@H]2CCC[C@H](C#N)C2)C2CC2)n1 192902314 KFRYZAUQXRSDMV-YUTCNCBUSA-N 275.421 3.575 30 20 CHED CS[C@H]1CCC[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])C1 425228540 KIYSBKQTQJOIJF-RYUDHWBXSA-N 291.376 3.553 30 20 CHED C=CCn1c(SCCCC(C)C)nnc1C1CC1 428068412 BVGVDJDSMOODOB-UHFFFAOYSA-N 265.426 3.870 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H]1CCCc2sccc21 426237725 JIXOCWSRVHXCTP-JSGCOSHPSA-N 290.432 3.876 30 20 CHED CCCCS[C@H](C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 48733814 JKAPBFPTUKQNIU-QWHCGFSZSA-N 290.432 3.657 30 20 CHED Cc1c(NC(=O)[C@H](C)CC(C)(C)C)ccc(C#N)c1C#N 421553661 DWSGVKWWXHJLSY-LLVKDONJSA-N 283.375 3.749 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CSC[C@H]1C 510247970 AKLQADWDXGBGPB-UKRRQHHQSA-N 296.480 3.516 30 20 CHED N#C[C@H](NC(=O)[C@@H]1CCC[C@H](F)C1)c1ccccc1Cl 424665073 KYSYUJWLIPOUMC-SUNKGSAMSA-N 294.757 3.549 30 20 CHED N#CCC1CCN(C(=O)Cc2cc3ccccc3s2)CC1 336257869 XLFAGIHKFYAFLL-UHFFFAOYSA-N 298.411 3.596 30 20 CHED N#Cc1ccccc1NC(=O)C1(Cc2ccccc2F)CC1 191796501 BPOIQRUFHSMJTR-UHFFFAOYSA-N 294.329 3.659 30 20 CHED C=CCSCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 193377405 RKHYENJUFUGUEA-OAHLLOKOSA-N 281.396 3.558 30 20 CHED CN(CCCOc1ccccc1)Cc1cccc(C#N)c1F 512476224 ZBNQVYMBZVCBLF-UHFFFAOYSA-N 298.361 3.598 30 20 CHED N#CCc1cccc(NC(=O)N2CC[C@H](C3CCCC3)C2)c1 333833665 JUYUUKGIAJYMCZ-INIZCTEOSA-N 297.402 3.797 30 20 CHED Cc1ccccc1C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 334649548 LBQVJYMUWUZTLV-DOTOQJQBSA-N 268.404 3.867 30 20 CHED Cc1cccc([C@@H]2CCCCN2/C(O)=N/CCC#N)c1C 331129005 FSSSJAKNTCFNJU-INIZCTEOSA-N 285.391 3.658 30 20 CHED N#Cc1ccc(NC(=O)c2sccc2C2CC2)cc1C#N 336002878 AORPFVHCYYWBCS-UHFFFAOYSA-N 293.351 3.621 30 20 CHED N#Cc1ccc(/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc1 193445716 GMKXMLSIIWPNBO-DAFODLJHSA-N 285.690 3.685 30 20 CHED C=CCOCC(=O)Nc1ccccc1Oc1ccc(C)cc1 519096373 AKUGCCCNSXGMOG-UHFFFAOYSA-N 297.354 3.928 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCc2sccc21 330476065 GXDVIAYLNDSSOM-BBRMVZONSA-N 290.432 3.613 30 20 CHED N#Cc1cccc(OCCCN(C2CCC2)C2CCC2)c1 429124575 WAFZBVCQJTXCKZ-UHFFFAOYSA-N 284.403 3.734 30 20 CHED CN(C(=O)Nc1cccc(CC#N)c1)[C@H]1CCC(C)(C)C1 334725634 DBLLBOQBJWIFAV-HNNXBMFYSA-N 285.391 3.795 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)c(Cl)cc1F 336296323 KFIGGBXEHLDRRW-PWCHPLFNSA-N 287.121 3.621 30 20 CHED CC(C)C(C)(C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 335812818 DHFKQGDRVZZDMI-UHFFFAOYSA-N 296.414 3.856 30 20 CHED Cc1cc(NC(=O)Nc2cccc(C#N)c2)c(C)cc1O 235831988 QEFVYOZKURTIMV-UHFFFAOYSA-N 281.315 3.525 30 20 CHED C=CCC[C@@H](NC[C@@H](C)O)c1ccc(C(F)(F)F)cc1 337184935 OMDOAWBNHYORSB-BXUZGUMPSA-N 287.325 3.683 30 20 CHED C=CCC(C)(C)CNC(=O)NCC1(c2ccccc2)CC1 432075194 IFAHCGBDSQZFRM-UHFFFAOYSA-N 286.419 3.620 30 20 CHED C=CCOc1cccnc1-c1nc(CC2(C)CCCC2)no1 519789445 RVLUTZYRZJSAKV-UHFFFAOYSA-N 299.374 3.819 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccnn1C(C)C 337134974 MAXQGNJXYOBWTI-UHFFFAOYSA-N 296.418 3.746 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3occc32)cc1 237608336 CYPKUFOPLLWXMX-DYVFJYSZSA-N 296.370 3.738 30 20 CHED CCN(CCNCc1cc(C#N)cs1)c1ccccc1C 236869152 YRQJSUGRBMDHEV-UHFFFAOYSA-N 299.443 3.544 30 20 CHED Cc1cc(-c2nc([C@@H]3CCCC[C@H]3C)no2)ncc1C#N 331646627 LGHYRDAEAWHKIO-ZWNOBZJWSA-N 282.347 3.605 30 20 CHED N#Cc1cccc(NCCCCCc2ccccc2)n1 522936489 IEOIPVRTZHIARA-UHFFFAOYSA-N 265.360 3.778 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@@H](C#N)c2ccccc2F)CC1 439540008 GJTRQGHTOGFSKG-XEZPLFJOSA-N 288.366 3.723 30 20 CHED CC[C@@H](NCc1cccnc1C)c1ccc(C#N)cc1 527988485 SUFMLKUIHARVSQ-QGZVFWFLSA-N 265.360 3.503 30 20 CHED CCCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C 248878342 RJJMPZPHUMRPKY-ILXRZTDVSA-N 294.439 3.559 30 20 CHED C=CCN(Cc1ccc(Br)cc1F)C1CC1 537852799 NPEPDOFZLSELNK-UHFFFAOYSA-N 284.172 3.739 30 20 CHED Cc1ccnc(NCC2(c3ccc(F)cc3F)CC2)c1C#N 343525479 JFFLXYAUQTUIRG-UHFFFAOYSA-N 299.324 3.684 30 20 CHED Cc1ccc(CCC(=O)N2CCCC(C)(C)[C@@H]2C#N)c(C)c1 434026405 SRJHYCVCJHJKOP-KRWDZBQOSA-N 298.430 3.777 30 20 CHED C=CCCCCCN(C)c1c(C#N)cccc1C#N 436413913 URCHZZASNPBLOQ-UHFFFAOYSA-N 253.349 3.613 30 20 CHED C=CCC[C@@H](C)Nc1ccc(C(=O)N(CC)CC)cc1 437142688 OQTSXMVYJMDWFN-CQSZACIVSA-N 274.408 3.935 30 20 CHED C=CC[C@@H]1N(C(=O)c2cncc(CC)c2)CCCC1(C)C 345292571 NAEKDQCOAJVZTD-INIZCTEOSA-N 286.419 3.851 30 20 CHED CC[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1cccs1 340888047 PHLXBJASRPJQBI-ZDUSSCGKSA-N 288.347 3.640 30 20 CHED C[C@@H](C(=O)Nc1ccccc1CC#N)c1ccsc1 344334393 GHCRJVFVCIYOFV-LLVKDONJSA-N 270.357 3.556 30 20 CHED C[C@H]1CC(F)(F)CCN1c1ccc2cc(C#N)ccc2n1 528207893 MBUDEXYVFPJFDN-NSHDSACASA-N 287.313 3.730 30 20 CHED N#Cc1cccc(NC(=O)C[C@H]2C[C@@H]2c2ccccc2)c1 340719099 CFDICLLYCJIDNY-NVXWUHKLSA-N 276.339 3.691 30 20 CHED Cc1cccc(C2(NCc3cccc(C#N)n3)CCCC2)c1 602585299 DKVDJLOCFWEUGI-UHFFFAOYSA-N 291.398 3.821 30 20 CHED O=C(/C=C\c1cccnc1)c1cccc(OC(F)(F)F)c1 255625993 CVYYXGNENPEXGH-SREVYHEPSA-N 293.244 3.876 30 20 CHED CC(C)C[C@H](C#N)NC(=O)Cc1ccc(Cl)c(Cl)c1 608822479 FEUYJNRGRBLEGY-LLVKDONJSA-N 299.201 3.590 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 542279164 MWKSDURPLNEEDV-MRXNPFEDSA-N 256.393 3.765 30 20 CHED Cc1cc(CNCC2(c3ccccc3)CC2)ccc1C#N 443972057 WEDNCSRUITUOLS-UHFFFAOYSA-N 276.383 3.688 30 20 CHED CC[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 443507912 CEEPXKAWSSFQCL-JTQLQIEISA-N 283.297 3.598 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H]1CCc2ccccc21 604275446 LSDSEFMUGANSKR-OAHLLOKOSA-N 257.377 3.531 30 20 CHED C=C[C@H](CC(=O)N(C)c1ncccc1C)c1ccccc1 348814027 JYHZCJIKJJVPKI-OAHLLOKOSA-N 280.371 3.713 30 20 CHED Cc1ccc2c(CCNC[C@@H](C)CCC#N)c[nH]c2c1 602526302 IUMRQJCBSCKBMI-AWEZNQCLSA-N 269.392 3.548 30 20 CHED CCN(Cc1ccc(CN(C)C)cc1)C[C@H](C)CCC#N 602655985 JSNHABFZDADEEG-MRXNPFEDSA-N 287.451 3.510 30 20 CHED CCO[C@@H]1C[C@@H](N[C@H](CC)c2ccc(C#N)cc2)C12CCC2 447540324 CITUNQQNVIZCRL-KZNAEPCWSA-N 298.430 3.947 30 20 CHED C=CC[C@@H]1N(C[C@H]2CC[C@@H](C)O2)CCCC1(C)C 444784180 MXXPSJISSQOWQT-KFWWJZLASA-N 251.414 3.621 30 20 CHED N#CC1(F)CCN(Cc2cccc(C(F)(F)F)c2)CC1 352484213 MTIWZOYKSCAPKE-UHFFFAOYSA-N 286.272 3.533 30 20 CHED C=C(C)CCNCc1ccc(N(C)c2ccccc2)nc1 449477246 OTTVGGKZSZWCAO-UHFFFAOYSA-N 281.403 3.905 30 20 CHED C=C(CC)CS[C@H](C)C(=O)Nc1ccccc1OC 358640735 XPDUWHAOLIEWRU-GFCCVEGCSA-N 279.405 3.722 30 20 CHED N#Cc1ccc(SCCCOCC(F)(F)F)c(F)c1 358058340 CSLONIKCSQUOPW-UHFFFAOYSA-N 293.285 3.758 30 20 CHED C=CCCCCCN(C)C(=O)CSCc1cccnc1 351438882 FZXPMGQCXHHMQM-UHFFFAOYSA-N 292.448 3.520 30 20 CHED N#Cc1ccc(SCc2ccccc2C2CC2)nn1 615529498 FDYRCBFDWHVYGN-UHFFFAOYSA-N 267.357 3.518 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(c2ccc(C#N)cn2)C1 266237781 KTQWVLSORYHIAQ-BLLLJJGKSA-N 281.334 3.680 30 20 CHED Cc1ccc(-c2nc(CN(CC#N)C3CC3)cs2)cc1 266775367 YLGBFASOAYFVGD-UHFFFAOYSA-N 283.400 3.607 30 20 CHED CCC[C@H](NC(=O)[C@H](C)ON=C1CCC1)c1ccccc1 267457213 SEDZBWFNLYYAIE-BBRMVZONSA-N 288.391 3.589 30 20 CHED COc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(C)c1 537405251 ABJUNNSQQGATGV-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1(c2ccc(F)cc2)CC1 539466518 LKCFQGNYZDTHJN-CYBMUJFWSA-N 290.382 3.859 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(OC3CCCC3)nc2)C1 446814187 JPZNYMQGLBJKNF-UONOGXRCSA-N 285.391 3.897 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1 356305732 AGEATFXRTCOCHG-HYVNUMGLSA-N 284.403 3.769 30 20 CHED CC(C)C[C@H]1OCCC[C@H]1NCCCCC(C)(C)C#N 444679118 LJPPXCYWEIFUAK-HZPDHXFCSA-N 280.456 3.890 30 20 CHED CC[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 267504717 HBRSXYVSFBHADA-HIFRSBDPSA-N 272.392 3.625 30 20 CHED N#Cc1ccc(SCC2(C#N)CC2)cc1C(F)(F)F 359749595 WDIIOAZBWCIMPU-UHFFFAOYSA-N 282.290 3.973 30 20 CHED N#CCCCC(=O)N1CCCC[C@H]1c1ccc(F)cc1F 360365848 QMYRHFRSDZMYHY-HNNXBMFYSA-N 292.329 3.712 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCCN(c3ccccc3)C2)C1 369475374 DOIOUYOTCIHWLE-FGTMMUONSA-N 297.446 3.575 30 20 CHED Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)ccc1C(F)(F)F 266400988 PBPNNJVHFFFZJM-VIFPVBQESA-N 299.296 3.637 30 20 CHED CC(C)(C)OCCCCNc1cccc(CC#N)c1 453151496 VCNRHSUZVXQYHF-UHFFFAOYSA-N 260.381 3.760 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](CC)c1ccc(OC)cc1 452774532 LWNAPJLGTXIVRJ-AWEZNQCLSA-N 289.419 3.907 30 20 CHED C=CCC1(NC(=O)CC[C@@H]2CC[C@H](C)O2)CCCCC1 456371299 SKGQEMUVGMCDKR-GJZGRUSLSA-N 279.424 3.729 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccco1 619754691 IDCVDXFEYOBXHF-SNVBAGLBSA-N 260.724 3.655 30 20 CHED C=CCN(C(=O)Cc1cccc2ccccc12)C1CC1 271701888 QIGNHEOCVSUVOR-UHFFFAOYSA-N 265.356 3.559 30 20 CHED CC1(C)CCCN(C(=O)[C@H]2C[C@]2(C)c2ccccc2)[C@H]1C#N 451204353 UBJREDVUTMAFID-JTDSTZFVSA-N 296.414 3.505 30 20 CHED C=C(C)CCNC(=O)Nc1cc(F)ccc1OC(F)F 454964666 PPYMHHNYDPSDND-UHFFFAOYSA-N 288.269 3.515 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)CC2CCCC2)c1 455998846 JXXGXDYYKQWFEC-UHFFFAOYSA-N 271.364 3.521 30 20 CHED CSc1cccc(C)c1NC(=O)CC(C)(C)C#N 362539487 AQBQFFRWAIMLIK-UHFFFAOYSA-N 262.378 3.595 30 20 CHED CC(C)c1noc(CNc2ccc(CC#N)cc2Cl)n1 453120638 DHWZPBFMKNTTTH-UHFFFAOYSA-N 290.754 3.525 30 20 CHED C=CC1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)CC1 450388421 HYEBSPXESXFELQ-UHFFFAOYSA-N 293.794 3.525 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(CSC)cc1)OCC 270067198 QSCAGRLQXUFQQI-OAHLLOKOSA-N 293.432 3.859 30 20 CHED Cc1ccc2c(c1)CCN(CC(C)(C)CCC#N)C2 361738278 VUVWGDWUZKDNJN-UHFFFAOYSA-N 256.393 3.683 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)CC(C)(C)C#N)c1 278173937 BRQJXNFSQPTNDZ-LBPRGKRZSA-N 274.364 3.742 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 456831024 SFCXYADOQZAFDL-CHWSQXEVSA-N 263.768 3.526 30 20 CHED C=CCC[C@@H](CCC)NCCCc1nccs1 271563714 YEWBAHSVQOCNFP-CYBMUJFWSA-N 252.427 3.800 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(CC)s1 453380028 ZIPXJEABOFMCLI-BNOWGMLFSA-N 265.422 3.695 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCC[C@H](C)O)cc1 278830548 OVPRIXCMXSXATM-UONOGXRCSA-N 297.826 3.630 30 20 CHED C=CCCCC(=O)N(C)[C@H](C)Cc1cccc(F)c1 458276651 NFDCYTSDPXJYEG-CYBMUJFWSA-N 263.356 3.571 30 20 CHED C=CC1CCN(c2nnc([C@H](C)CC)n2CC(C)C)CC1 549843498 ZFGMCMPUQHONBL-CQSZACIVSA-N 290.455 3.850 30 20 CHED C#CCCCCC(=O)N1CCCC(C)(C)[C@@H]1CC=C 278485425 VUXTZIBAQTWFJW-HNNXBMFYSA-N 261.409 3.773 30 20 CHED C#CCCCSc1nnc(-c2ccccc2C)o1 270891643 RLXWFSUEITVIIH-UHFFFAOYSA-N 258.346 3.551 30 20 CHED CC#CCCSCc1cnn(-c2ccccc2)c1 360530273 PIFGGYWBTGKQNH-UHFFFAOYSA-N 256.374 3.519 30 20 CHED C=CCN(C(=O)[C@H](CC)Sc1ccccc1)C1CC1 542523691 NBRMXEJHPLKUMG-HNNXBMFYSA-N 275.417 3.734 30 20 CHED C=CCC1(NCc2cnc3ccccc3n2)CCCCC1 625934098 AIVUYYBSUVVBIZ-UHFFFAOYSA-N 281.403 3.998 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccc(F)cc1)C1CCCC1 540411343 ALNQHLFVOADPBL-ROUUACIJSA-N 291.410 3.974 30 20 CHED CC(C)[C@@H]1CCCN1c1ccc2cc(C#N)ccc2n1 540078015 IPXDHTLFPKZWGJ-INIZCTEOSA-N 265.360 3.731 30 20 CHED C=CCCN(C)C(=O)CSc1ccc(C(C)C)cc1 467081221 LTBBXAZAYQANSR-UHFFFAOYSA-N 277.433 3.937 30 20 CHED C#CC[C@H](NCc1cnc(C(C)(C)C)nc1)c1ccccc1 284205877 BXHMIWNXWRLJCQ-KRWDZBQOSA-N 293.414 3.628 30 20 CHED CCc1ccccc1CNC(=O)[C@@H](C)c1cccc(C#N)c1 462137189 AUVZOIGWJWAGBD-AWEZNQCLSA-N 292.382 3.541 30 20 CHED C[C@@]1(CNc2c(Cl)cccc2C#N)CCO[C@@H]1C1CC1 466617891 KLNYVVNVTWTGFY-CVEARBPZSA-N 290.794 3.829 30 20 CHED C[C@@H]1Oc2ccccc2[C@H]1Nc1ncc(C#N)cc1Cl 377174945 JXVXKVNHHOWCMJ-XPTSAGLGSA-N 285.734 3.541 30 20 CHED C=CCCCCCN(C)C(=O)C1(OCC)CCCC1 556387696 UPUVLPBOMCDOFN-UHFFFAOYSA-N 267.413 3.541 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC=C)Cc1cccs1 466380455 BLNAWLPXPXGXPB-CYBMUJFWSA-N 278.421 3.800 30 20 CHED C/C(=C\c1ccccc1)CN(C)[C@@H]1CC[C@H](C#N)C1 555461746 UNLZJDCJTVRUKQ-NEXKZYMUSA-N 254.377 3.714 30 20 CHED C=CCC[C@@H](CCC)NCc1nccc(C(F)F)n1 287234530 YKBQXZFFYIHGKF-LLVKDONJSA-N 269.339 3.639 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(-c2ccccc2)noc1C 281042056 JCGWFXWGZZQIBD-CQSZACIVSA-N 284.359 3.735 30 20 CHED C=CCCN(C)c1cncc(SCc2ccccc2)n1 466399851 RNPWVLZZUVWFPD-UHFFFAOYSA-N 285.416 3.781 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cc(Cl)ccc1Cl 285508189 AMUWSOBDYYEJCO-GFCCVEGCSA-N 272.131 3.839 30 20 CHED C=C[C@H](C)NC(=O)CCC[C@@H](C)c1cccc(OC)c1 469138596 WVVFCFYYAAMWNX-KGLIPLIRSA-N 275.392 3.660 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 461732154 YAYKIHHFBNLRGL-LSDHHAIUSA-N 292.382 3.848 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)c1cccs1 281376989 OBVSQQAQMVFSMS-NWDGAFQWSA-N 266.410 3.805 30 20 CHED CCC(CC)CN(CC)C(=O)c1ccc(C#N)c(Cl)n1 283144508 URYPJHRFPVFBAM-UHFFFAOYSA-N 293.798 3.505 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H](c2ccccc2)C1 281362299 NKBLYJCKHOSFAR-JKSUJKDBSA-N 272.392 3.540 30 20 CHED C=CCC(C)(C)C(=O)NCc1ncoc1-c1ccccc1 556566763 OGZODCBJEYGAFE-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C[C@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(C#N)c1 477416151 IMYIRXZXJPNMKZ-CYBMUJFWSA-N 295.386 3.975 30 20 CHED C#CCC1(c2nc(CCc3ccco3)no2)CCCCC1 809437190 PLWDMCSSCCWMAU-UHFFFAOYSA-N 284.359 3.673 30 20 CHED CC(C)Oc1ccc([C@H](C)N[C@H](C)CCC#N)cc1 299731807 XKEPMBFOTBBREW-KGLIPLIRSA-N 260.381 3.817 30 20 CHED C=CCC1(c2nc(-c3c(C)nsc3C)no2)CCC1 293004605 LMJABOOIXPVHJX-UHFFFAOYSA-N 275.377 3.808 30 20 CHED C=Cc1ccc(CCN[C@@H]2CCC[C@H](C#N)C2)cc1 291226096 NTPDFRNFVDTYIA-DLBZAZTESA-N 254.377 3.544 30 20 CHED CCCCCCCSc1cccc(C(N)=O)c1 809988918 LSUSVOKMCWHOJR-UHFFFAOYSA-N 251.395 3.848 30 20 CHED CCCCCCC[C@H](C)NC[C@@H]1CCOC[C@H]1C 809707017 PEWJOFGATVXFNJ-PMPSAXMXSA-N 255.446 3.998 30 20 CHED CCCOc1ccc(OC(=O)[C@]2(C#N)CC23CCCC3)cc1 297691476 CAKZCFFKYNZZDP-GOSISDBHSA-N 299.370 3.855 30 20 CHED C#Cc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 809664091 ANJTZTVZGIWBOT-CABCVRRESA-N 294.225 3.684 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(C)cn2)CCCCC1 649690305 YDLQFRSIORPCND-UHFFFAOYSA-N 286.419 3.875 30 20 CHED C=C(C)CN(CC)[C@H](C(=O)O)c1c(F)cccc1Cl 568061319 BYCWXGKGOMDHOX-ZDUSSCGKSA-N 285.746 3.503 30 20 CHED C=CC(C)(C)C(=O)Nc1ccccc1OCC1CC1 297655779 KHXDDXACTXQQQM-UHFFFAOYSA-N 259.349 3.626 30 20 CHED C=CCOc1ccc(CC(=O)N(C)[C@@H](C)c2ccco2)cc1 294204944 BZOXNDBPKJFDSL-AWEZNQCLSA-N 299.370 3.607 30 20 CHED N#Cc1sc(NC[C@@H]2CCc3ccccc32)nc1Cl 804445878 SAOHUEQTTQCNDE-JTQLQIEISA-N 289.791 3.810 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(-c3cnn(C)c3)s2)o1 800793989 YPVSAHOFVWXBME-GQCTYLIASA-N 298.367 3.946 30 20 CHED CC(C)(C)c1ccc(CCN[C@H]2CC[C@@H](C#N)C2)cc1 564537584 YKCQHJDYUWQKSX-WBVHZDCISA-N 270.420 3.808 30 20 CHED CC(C)(C)c1nc2cc(NC[C@H](C#N)CCC#N)ccc2o1 566638243 JMQDACHNSWGKIS-LBPRGKRZSA-N 296.374 3.981 30 20 CHED C=CCC1(C(=O)Nc2cncc3ccccc23)CCC1 565279984 WKBOHRYQGCRFGB-UHFFFAOYSA-N 266.344 3.920 30 20 CHED C=CCC(CC=C)C(=O)OC[C@@H](OC)c1ccccc1 801847931 UBHPYRLTAIWBOJ-MRXNPFEDSA-N 274.360 3.686 30 20 CHED C[C@@H](C#N)OCCN1C[C@H](c2ccccc2)c2ccccc21 801949043 AOKDPPJYBNSXIY-MAUKXSAKSA-N 292.382 3.567 30 20 CHED C#CCCCc1nc(CSc2ccc(Cl)cc2)no1 290240082 RXNMZQRNBVXPMA-UHFFFAOYSA-N 292.791 3.971 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1cc(C)c(Cl)c(C)c1 560500613 IEBNUYUQWZZEBG-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CC1(C)CN(c2cccc(F)c2C#N)[C@@H]1c1cccnc1 292007333 ZCJZMRZRUFFRTM-MRXNPFEDSA-N 281.334 3.680 30 20 CHED C#C[C@@H](NCc1ncc(-c2ccccc2)s1)C(C)(C)C 809782632 AXWNYCABCHSDHX-OAHLLOKOSA-N 284.428 3.948 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn(-c2ccccc2)c1C 292608862 BBVBMXQCUIFVHD-UHFFFAOYSA-N 283.375 3.722 30 20 CHED CCCC[C@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 800393858 RAAQCQMZXWCEAC-QWHCGFSZSA-N 283.375 3.874 30 20 CHED C[C@@H](C=NN=c1cc[nH]c2ccccc12)C(C)(C)C 800813179 RPCWLBRRTPCVOP-LBPRGKRZSA-N 255.365 3.737 30 20 CHED C#C[C@H](NC(=O)N1CC[C@@H](c2ccccc2C)C1)C(C)(C)C 808315770 MADMIALDBGQGQW-WBVHZDCISA-N 298.430 3.542 30 20 CHED N#C[C@H](OC(=O)[C@H]1CCCC(F)(F)C1)C1CCCCC1 800277489 IZZXZVUSVMQLKD-STQMWFEESA-N 285.334 3.828 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1nccc2ccccc12 811697668 DQKHJXIUUBNLJH-ALCCZGGFSA-N 278.286 3.665 30 20 CHED Cc1cc(CN2CCCC(C)(C)[C@@H]2C#N)ccc1F 562489561 RGSFTWINKHIHLP-HNNXBMFYSA-N 260.356 3.648 30 20 CHED c1ccc(CCNN=C2CCC3(CCCC3)CC2)nc1 811648304 OYWAHTMQLAENHX-UHFFFAOYSA-N 271.408 3.704 30 20 CHED COc1ccc(NN=Cc2ncc(C(C)C)s2)cc1 814885043 KKAHHRCYKOZLAO-UHFFFAOYSA-N 275.377 3.721 30 20 CHED CC(C(=O)N(C)[C@H](C)c1cccc(C#N)c1)=C1CCC1 819736419 JSAUOBBUVGXQPQ-CYBMUJFWSA-N 268.360 3.578 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCCC[C@@H]1C[C@H]2CC[C@H]1C2 816024945 KCJMATMFNSSWTN-BMFZPTHFSA-N 298.386 3.635 30 20 CHED C[C@@H]1C(=NN[C@@H]2CCCC2(C)C)CC[C@H](C(=O)O)C1(C)C 814917776 QUIOPWRFWQOSNG-YRGRVCCFSA-N 294.439 3.668 30 20 CHED C=CCC(F)(F)C(=O)NCCCC1CCCCC1 815010343 JKXOYUNLHGJKGF-UHFFFAOYSA-N 259.340 3.675 30 20 CHED N#CCCCCNC(=O)N1CCC[C@H]1CCC1CCCC1 487679091 RYSZZZQFDMGTAV-INIZCTEOSA-N 291.439 3.825 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1cccc2[nH]ccc12 811665613 RERXAYXKXREQCG-CQSZACIVSA-N 293.370 3.559 30 20 CHED CCOc1ccc(NN=Cc2cc(C)oc2C)cc1 814984707 UALBOOCVNVQPTM-UHFFFAOYSA-N 258.321 3.741 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 812005307 GIQHTPCCHWIWQD-QAPCUYQASA-N 298.430 3.971 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@@](C)(C#N)CC 570180932 YBEMBVKSMFPZBW-GDBMZVCRSA-N 264.413 3.791 30 20 CHED N#CCCC1CCN(c2ccc(C(F)(F)F)cn2)CC1 577218367 WIBKLSIGYDHIEJ-UHFFFAOYSA-N 283.297 3.621 30 20 CHED Cc1nc(N2C[C@H](C)C[C@H]2c2cccc(F)c2)ccc1C#N 488072293 ZQFFLTRNLZMGFS-PXAZEXFGSA-N 295.361 3.988 30 20 CHED CC(C)(C#N)Cc1nc(-c2ccc3ccccc3c2)no1 578578332 GTQCKLNSAZLVJY-UHFFFAOYSA-N 277.327 3.982 30 20 CHED N#Cc1ccc(Nc2ccc3ccoc3c2)cc1[N+](=O)[O-] 573974288 ULASIUSXVQLNBZ-UHFFFAOYSA-N 279.255 3.956 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1cccnc1N1CCCC1 658106519 QFRUNMVNZXSSOL-FUHWJXTLSA-N 299.462 3.906 30 20 CHED C=CCOc1ccc(CC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 571087907 APOGDHFHVBPQFE-WMZOPIPTSA-N 299.414 3.585 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 573807793 OYGYCGXFIXSRCW-SUNKGSAMSA-N 288.778 3.781 30 20 CHED CCC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccn1 729149721 OGWROWSWZGZXOK-BGARDKSCSA-N 299.330 3.656 30 20 CHED CCCC[C@H]1CCCC1=NNc1cncc(Cl)n1 727256689 ZMZUWJDQAGTMFE-JTQLQIEISA-N 266.776 3.888 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 579524794 SEJNGOJALLITOH-RDJZCZTQSA-N 270.376 3.532 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)NC(=O)OC(C)(C)C)n1 495801166 BVMHEWHPTPMYAI-SNVBAGLBSA-N 295.383 3.509 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCCO[C@@H](C)C1 727601833 YYNZDJDFHUAZGY-CVEARBPZSA-N 298.471 3.803 30 20 CHED CSCCCCCCNC(=O)[C@@]1(C#N)CC12CCCC2 828263296 ALFOUKXUJDMHSE-INIZCTEOSA-N 294.464 3.500 30 20 CHED C[C@H](Sc1cccc(C#N)c1)c1ccc(C(=O)O)o1 827914800 GHGVITIEWLALRJ-VIFPVBQESA-N 273.313 3.703 30 20 CHED N#CC1(CCOC(=O)[C@H]2CCc3cccnc32)CCCCC1 820830168 WZLPSQWSURLDCX-HNNXBMFYSA-N 298.386 3.519 30 20 CHED C=CCOc1cccc(CNC[C@H]2COc3ccccc32)c1 582986901 HWKWMINRQJBFGQ-INIZCTEOSA-N 295.382 3.517 30 20 CHED N#CCC[C@@H](C#N)CNc1cccc(NC2CCCC2)c1 582541705 GNWNTKYSJZJTTP-AWEZNQCLSA-N 282.391 3.897 30 20 CHED C=CCCCC[C@H](C)NC[C@](C)(O)c1ccsc1 823915296 MQQYYIUKUFKVBT-ZFWWWQNUSA-N 267.438 3.680 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1ccccc1OC(C)C 736398844 GUFSEEPVNJGBTO-GFCCVEGCSA-N 296.798 3.587 30 20 CHED C=CC[C@@H](NC(=O)N1CCC[C@H]1C(C)C)c1ccncc1 734680859 RDYKPZVFZVAZPB-CVEARBPZSA-N 287.407 3.529 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 588159195 AAXAQVISUDIZEA-QLFBSQMISA-N 262.397 3.545 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H](C)[C@@H](C)CC)cc1 589079652 PTKYXMZVEUFCJY-ZENOOKHLSA-N 272.392 3.612 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)cc2)C1 664333006 IQLNQGKFBNGSPK-CYBMUJFWSA-N 274.364 3.515 30 20 CHED C=CCC1(NC(=O)N[C@H](CC)CC(F)(F)F)CCCC1 664668734 OQUFPJITDLQXAB-LLVKDONJSA-N 292.345 3.906 30 20 CHED Cc1ccc(F)c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1F 839055982 OUEXRKHAJCAQMG-GHMZBOCLSA-N 279.286 3.512 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 583541839 TWACDRZHOYLBID-WMLDXEAASA-N 286.419 3.797 30 20 CHED COc1cccc(OC)c1/C=C1/Cc2cc(F)ccc2C1=O 588386614 NQMLXELNRRQPOO-BENRWUELSA-N 298.313 3.665 30 20 CHED C#Cc1cccc(NC(=O)C(C)(C)Cc2ccccc2)c1 735425972 UXNCRSSUOWIHPC-UHFFFAOYSA-N 277.367 3.875 30 20 CHED N#CCCCCCC(=O)N1CC[C@@H](c2ccccc2F)C1 588157389 MIAJKLGRXUILGU-CQSZACIVSA-N 288.366 3.616 30 20 CHED C=CCC1(C(=O)OCCCC(C)(C)C#N)CCCC1 838285653 WMPWAEGPEPVCFC-UHFFFAOYSA-N 263.381 3.996 30 20 CHED C=CCN(C(=O)c1cnc(NC2CC2)s1)c1ccccc1 908271093 XYKKWRYKFFVLCE-UHFFFAOYSA-N 299.399 3.550 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(O)Cc1ccc(F)cc1 901372317 BYNNAHSEAPHULC-HIFRSBDPSA-N 279.355 3.760 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3cc(F)ccc3o2)C1 839056611 DWNMFYSMUWZMEX-ZWNOBZJWSA-N 287.290 3.811 30 20 CHED C#CCCOc1ccc(CN[C@H](C)Cc2ccsc2)cc1 733325487 ORBXPVHVFJCEEP-OAHLLOKOSA-N 299.439 3.871 30 20 CHED C#Cc1ccc([C@@H](OC(=O)[C@@H](C)C2CC2)C(F)(F)F)cc1 836081233 RHVZQVCRGQVCFQ-IINYFYTJSA-N 296.288 3.861 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]([C@@H]2CCNC2)C1 831742242 YDAIRWLWWVFAEC-IAGOWNOFSA-N 294.483 3.585 30 20 CHED Cc1noc(C)c1[C@@H](C)/N=C\c1cc(Cl)ccc1O 733749878 DBWWVHXHDAALSJ-QWFSEIHXSA-N 278.739 3.831 30 20 CHED CCSCCON=C(C)CCc1ccc(OC)cc1 588394722 SSNFGBDVDPWULG-UHFFFAOYSA-N 281.421 3.773 30 20 CHED CCCCCCCCNC(=O)N1CC[C@@H](OC)C(C)(C)C1 836375418 ZBEIWQSIUNCATO-OAHLLOKOSA-N 298.471 3.803 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1C 588523437 BWZGKPCWZFZHJF-DAXSKMNVSA-N 255.292 3.734 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(NC(=O)O)cc1 736097219 AFPQUKUITQERIG-UHFFFAOYSA-N 290.363 3.595 30 20 CHED CC(C)(C)c1csc(NC(=O)C=C2CCC2)c1C#N 839368714 DWUOYXOCPUQTGM-UHFFFAOYSA-N 274.389 3.966 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(CC)[C@H](C)C#N 598360845 WKFUATUYUDAYRT-HIFRSBDPSA-N 264.413 3.744 30 20 CHED CC(C)(C)[C@H]1C[C@H](NCCc2ccc(C#N)cc2)CS1 597179922 XUGYEMSFEPBEBK-JKSUJKDBSA-N 288.460 3.611 30 20 CHED CC(C)c1ccc(NN=Cc2cn(C)nc2C(F)F)cc1 835017748 ABHGFVZTSWONIE-UHFFFAOYSA-N 292.333 3.927 30 20 CHED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C#CC1CC1 837333470 UEQCPWZOBRHQRH-SNVBAGLBSA-N 296.197 3.926 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2cccc(COC)c2)c1C 742432821 IDOLVVLEJAHFNJ-KTKRTIGZSA-N 298.386 3.562 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C)CC#N)c1cccc(Cl)c1 599221032 JZQNIMLKXFKCSN-SMDDNHRTSA-N 278.783 3.642 30 20 CHED Cc1c(NN=C2CS[C@@H](C(C)C)C2)cccc1C(=O)O 844624091 UPHQZARGDWXEAD-CQSZACIVSA-N 292.404 3.623 30 20 CHED C[C@]1(C=NNCc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 841630334 MAULDEGDOWSHHE-RTBURBONSA-N 289.382 3.827 30 20 CHED CC[C@H](C#N)C(=O)N1CCC(c2cccc(Cl)c2)CC1 593675927 FBUVWMNECHQLNU-GFCCVEGCSA-N 290.794 3.596 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1c[nH]nc1CC 918678711 NQVHLJUGKDDAGW-ZDUSSCGKSA-N 279.428 3.699 30 20 CHED CC(C)N(C)c1ccccc1NC(=O)C#CC(C)(C)C 847132412 HGTLVBPZPMTPRC-UHFFFAOYSA-N 272.392 3.519 30 20 CHED N#CCN1CCc2sccc2[C@H]1c1ccc(Cl)cc1 595766726 IRBLXINTXRSXGX-OAHLLOKOSA-N 288.803 3.873 30 20 CHED CCc1nc(C#N)cc(N2CC[C@@H]2c2ccc(Cl)cc2)n1 596138992 QGDONELPOGGXAL-CQSZACIVSA-N 298.777 3.515 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)C1CCCCC1 843270426 ZCUSGMGBJMEUTD-HJWRWDBZSA-N 260.381 3.702 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCCN(CC)C1 746526069 WYTRJEHKJRTGKP-MRXNPFEDSA-N 282.472 3.585 30 20 CHED C#CCCCNC(=O)c1oc2ccccc2c1COC(C)C 742786114 BNTOTFLTXYGZDD-UHFFFAOYSA-N 299.370 3.501 30 20 CHED C=C(C)CNc1nnc([C@@H](C)Oc2cccc(C)c2C)o1 849162043 RCYIWLMSOVGPPW-CYBMUJFWSA-N 287.363 3.814 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)NCCc1ccc(C#N)cc1 597894761 UOCFXGUIRGBAFB-MRXNPFEDSA-N 298.430 3.990 30 20 CHED CC[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 593576442 TULDDBAWQVEQJD-ZIAGYGMSSA-N 284.403 3.508 30 20 CHED N#CCCC1CCN(C[C@H]2CCc3ccccc3C2)CC1 592135148 CQIVMYSEFWNALV-KRWDZBQOSA-N 282.431 3.807 30 20 CHED CCc1cc(C(=O)N(C)[C@@H](C)C#N)sc1-c1ccccc1 594037630 OIZXMBMYWRJWGI-LBPRGKRZSA-N 298.411 3.962 30 20 CHED CS[C@H]1CC[C@H](N=c2c(C#N)c[nH]c3c(C)cccc23)C1 742422113 WVUYAEVFCONVCP-KBPBESRZSA-N 297.427 3.533 30 20 CHED CC#CCOC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 745021238 AGXXBAXSYXSNTN-LLVKDONJSA-N 284.277 3.766 30 20 CHED C=C(Cl)C[S@@](=O)[C@H](C)c1ccc(Cl)cc1 849222470 BBXKWKJCYCTPII-RFAUZJTJSA-N 263.189 3.902 30 20 CHED CCCCCCCCNC(=O)c1csc([N+](=O)[O-])c1 754854085 LRIKFQNAOXBVSF-UHFFFAOYSA-N 284.381 3.747 30 20 CHED Cc1ccc(NN=C[C@H]2CCOc3ccccc32)cc1 752157795 QHFIDUCQFBQCBL-CQSZACIVSA-N 266.344 3.959 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)C1(Br)CC1 924786807 TWZJLGJAFVVAQA-MNOVXSKESA-N 293.208 3.525 30 20 CHED CCCCCCCCNC(=O)NCc1ncc(C)s1 754865756 MSVWRWWCAPRWPC-UHFFFAOYSA-N 283.441 3.611 30 20 CHED C=CCCCCNC(=O)N(Cc1ccccn1)CC(C)C 922024932 HIWNGBOXBCJKRO-UHFFFAOYSA-N 289.423 3.606 30 20 CHED C=CC[C@@H]1CCCCC1=NN[C@@H](C)c1ccncc1 853358414 AALUFAOHIFIVDL-DZGCQCFKSA-N 257.381 3.855 30 20 CHED CC1(C)CCCCC1=NNc1ccc(C(F)(F)F)nn1 754709579 ORXFGCTVDNOFIG-UHFFFAOYSA-N 286.301 3.864 30 20 CHED Cc1ccc(COC(=O)c2ccc(C#N)cc2)cc1C 758362046 HHCCNLIBZSYIKH-UHFFFAOYSA-N 265.312 3.532 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1ccc(CCC(F)(F)F)cc1 854698750 GMUXEAVXDPXNDA-HNNXBMFYSA-N 297.320 3.713 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1C=CCC1 850510372 TXHDKSZRJLGZEB-WBVHZDCISA-N 252.361 3.634 30 20 CHED C#CCNC(=S)Nc1ccc(SC2CCCC2)cc1 758194005 JNBABXKWUICXQN-UHFFFAOYSA-N 290.457 3.641 30 20 CHED CCCC1(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)CCC1 759532861 VAQMIPGLMBAAPD-CYBMUJFWSA-N 295.386 3.720 30 20 CHED C#C[C@H](CC)NC(=O)c1ccccc1N(C)c1ccccc1 754388510 LTRLYNMRLNYLSQ-OAHLLOKOSA-N 292.382 3.596 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1ccc(CC#N)cc1 758218489 XPAWUWYCVAWQPS-CQSZACIVSA-N 272.392 3.841 30 20 CHED C#CC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 754047722 NJGFYYDCWCXITP-CYBMUJFWSA-N 263.768 3.567 30 20 CHED C#CCOc1ccc([C@@H](C)NCCCc2ccco2)cc1 850569583 JTUMYXJPIGWDHX-OAHLLOKOSA-N 283.371 3.575 30 20 CHED Cc1cccc2oc(C(=O)N3CCC(CC#N)CC3)cc12 935318448 OAFUOCXQECRJTO-UHFFFAOYSA-N 282.343 3.507 30 20 CHED CN1CCc2cc(/C=C3/Cc4ccccc4C3=O)ccc21 751525825 KEDJTBIVIYACJA-WJDWOHSUSA-N 275.351 3.501 30 20 CHED N#CCCN1CCC(c2cccc(Br)c2)CC1 57606961 DHLOXSWOUXZNIK-UHFFFAOYSA-N 293.208 3.542 30 20 CHED C[C@H](C#N)OCCOc1c(Cl)ccc2ccccc12 864047773 TUBAPVWJIDPYOA-LLVKDONJSA-N 275.735 3.801 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(Cl)ccc1F 860198570 YSQXZWMYHSMXFU-UHFFFAOYSA-N 283.730 3.852 30 20 CHED CCON=Cc1ccc(-c2nc3ccccc3s2)o1 767464598 QSKZQXDQFDQYNU-UHFFFAOYSA-N 272.329 3.927 30 20 CHED Cc1nc(C)c(C(=O)OCCCCC(C)(C)C#N)s1 768478384 BPZUVIYVGGYOMM-UHFFFAOYSA-N 280.393 3.637 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C(C)C)nc1O 933339797 MXFFXNIJBFGOTP-UHFFFAOYSA-N 290.407 3.729 30 20 CHED C=CC[C@H]1N(C[C@@H](O)c2ccc(C#N)cc2)CCCC1(C)C 769954011 QMTAMEXMELBIFU-QZTJIDSGSA-N 298.430 3.658 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1ccc(Cl)cn1 935530854 KFZVVQHMXLMBDN-WDEREUQCSA-N 266.772 3.515 30 20 CHED N#Cc1ccc(NN=Cc2ccc(F)cc2Cl)cc1 767770716 DXZIXFNVTFEDFN-UHFFFAOYSA-N 273.698 3.797 30 20 CHED CCSc1cccc(C=NNc2cc(C)nc(C)n2)c1 769779299 BNKUEYLAVZLOCT-UHFFFAOYSA-N 286.404 3.651 30 20 CHED CC#CCCOC(=O)c1ccc(SC(F)F)cc1 760295819 QEKHJZZYESPMEN-UHFFFAOYSA-N 270.300 3.572 30 20 CHED Cc1cccc(C2(C(=O)OCC3(C#N)CCC3)CCC2)c1 768090503 GFBCFFYTGQYCKQ-UHFFFAOYSA-N 283.371 3.654 30 20 CHED N#CC1CCC(CNC(=O)c2ccsc2C(F)F)CC1 935816302 HLEXJFHKNWCSND-UHFFFAOYSA-N 298.358 3.745 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2sccc2C#N)CC1 864255425 MCGHJKKDDOADCK-LLVKDONJSA-N 277.393 3.664 30 20 CHED O=C1/C(=C/c2cccc3c2OCO3)Cc2ccc(Cl)cc21 762447641 RJGAFBXHJRNFGW-KPKJPENVSA-N 298.725 3.891 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1c(F)cc(F)cc1F 768722431 SRMGOIUBYOAKPD-UHFFFAOYSA-N 299.292 3.981 30 20 CHED COc1ccc(F)cc1C(=O)O[C@@H](C)c1cccc(C#N)c1 764605757 KBSOORWFEOAOID-NSHDSACASA-N 299.301 3.624 30 20 CHED CC(=NNc1ccc(Br)nc1)c1occc1C 767783339 XDNLQWDACDGZHU-UHFFFAOYSA-N 294.152 3.582 30 20 CHED C#CCCOc1ccc(CN[C@H](CC)CC(F)(F)F)cc1 760662609 VHPVKKXJZBRIQT-CQSZACIVSA-N 299.336 3.909 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(F)cc1F 766772297 PJZIOGIOAHAGLS-XQRVVYSFSA-N 273.282 3.818 30 20 CHED Cc1n[nH]c(C)c1C=NNc1c(Cl)cccc1Cl 763181284 YEZFYPIHYXHCNR-UHFFFAOYSA-N 283.162 3.779 30 20 CHED CC(=NNc1ccc(Br)cc1)c1cscn1 767898823 AMKUABJYNKMHFY-UHFFFAOYSA-N 296.193 3.742 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2ccc(C)cc2)cc1 767731373 WSRJFAVVOPQFTE-GHXNOFRVSA-N 280.323 3.678 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C2(C)CC(F)(F)C2)n1 873508687 KTLYTRVUVMWILY-VIFPVBQESA-N 298.358 3.878 30 20 CHED C#CCCCN1CCC[C@H](c2nc3ccccc3s2)C1 766905408 GNHVMNQHBPMISK-AWEZNQCLSA-N 284.428 3.889 30 20 CHED C#CCCCCCc1nc(CC2CCCCC2)no1 761821622 ZWRAGINNLYHBAU-UHFFFAOYSA-N 260.381 3.929 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)O[C@H](C#N)C1CCCCC1 775073997 PDQBQUCNFNVZCD-FMKPAKJESA-N 263.381 3.684 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc2ccc(Cl)cc2n1 878187890 APGMSGNLZXRLMQ-LLVKDONJSA-N 273.767 3.622 30 20 CHED Fc1ccc(C=NOC2CCOCC2)c2ccccc12 872366767 HFPXYTSPAUZTLA-UHFFFAOYSA-N 273.307 3.508 30 20 CHED C=CC(C)(C)CC(=O)Nc1cn(-c2ccccc2)nc1C 879428324 UXZOBMWZVGAVPD-UHFFFAOYSA-N 283.375 3.722 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccc(F)c(C)c1 772990003 ZNOJQAGNRDQKNS-OAHLLOKOSA-N 297.373 3.997 30 20 CHED C=CC(C)(C)CC(=O)Nc1c[nH]nc1-c1ccccc1F 879807387 GVHJJEAOCMNGRY-UHFFFAOYSA-N 287.338 3.757 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)nc1 1116496189 VDJUJRGVYSRSPK-NSHDSACASA-N 287.750 3.810 30 20 CHED FC(F)(F)c1ccc(Cl)c(C=NN=c2cc[nH]cc2)c1 779809053 SODOKMXAQQPPHR-UHFFFAOYSA-N 299.683 3.622 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(OCC(C)(C)O)cc1 777693076 OKRYKXGSUFZPGR-KBPBESRZSA-N 277.408 3.849 30 20 CHED CCN(Cc1csc(-c2cccs2)n1)C[C@H](C)C#N 66424408 PZOJXPJVQREGSY-LLVKDONJSA-N 291.445 3.853 30 20 CHED N#C[C@H](COC(=O)C1CCC=CCC1)Cc1cccs1 873516100 SSTGEFPGRHMTHW-CYBMUJFWSA-N 289.400 3.720 30 20 CHED C/C=C(\C)C(=O)N1CCCSC1=Nc1ccccc1 770448008 SGRDHONPKDVUME-GAVURESESA-N 274.389 3.606 30 20 CHED C/C(=C\C(=O)N[C@@]1(C#N)CCc2ccccc2C1)C(C)(C)C 770111312 GAPGKGMRFHHITN-VUVZNRFTSA-N 296.414 3.546 30 20 CHED C=CCN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C 779063694 IFTCROQXTQSZOB-UHFFFAOYSA-N 282.387 3.661 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(C#N)cc2F)c1 772802245 LQKMNBXTJNMTTL-BQYQJAHWSA-N 281.286 3.602 30 20 CHED CC1(C)Cc2cc(N[C@@H]3CCC[C@@H](C#N)C3)ccc2O1 774341763 CSPILSCZXNJCTG-TZMCWYRMSA-N 270.376 3.894 30 20 CHED N#Cc1cccc(COC(=O)c2cc3ccccc3o2)c1F 774875149 IIQRZRAUTREXLX-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CCc1cccc(Cl)c1C=NOCc1cccnc1 788720712 SGJWQTORGLHZRK-UHFFFAOYSA-N 274.751 3.848 30 20 CHED C#CCN(C)C(=O)Nc1cc(Cl)ccc1SCC 788037750 VUMJWLMSNHOWKO-UHFFFAOYSA-N 282.796 3.549 30 20 CHED CC1(C)/C(=C\c2cccnc2)C(=O)c2cc([N+](=O)[O-])ccc21 788364357 YFOQZHGHVSHYLA-NVNXTCNLSA-N 294.310 3.547 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1cc(F)cc(Cl)c1)C1CC1 787032413 DBMMRQHZBNVSSI-CVEARBPZSA-N 297.801 3.847 30 20 CHED COc1ccc(NN=C(C)c2coc3ccccc23)nc1 780276569 NSAJIYNGUKCQMB-UHFFFAOYSA-N 281.315 3.673 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccnc(Cl)c1 782195005 UAHNSQFENMLWJG-OWOJBTEDSA-N 285.155 3.741 30 20 CHED C#CC(C)(C)N(C)Cc1ccc(Cl)c2cccnc12 787996933 CFJZYKFJCZCVGV-UHFFFAOYSA-N 272.779 3.732 30 20 CHED C=CCCCCCSC[C@H]1CC2(CC2)C(=O)O1 783482889 YWAOHOFIOPVOKC-GFCCVEGCSA-N 254.395 3.562 30 20 CHED C#CCCCCCC(=O)O[C@@H]1CCCc2ccccc2C1=O 780258923 QABGGEQGIGWJDG-QGZVFWFLSA-N 298.382 3.701 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NNCc1ccccc1 782223601 TVWXDGJIAHFZRJ-UHFFFAOYSA-N 281.334 3.739 30 20 CHED CSc1ccc(C=NNCCC(C)(C)C)cc1 782902768 JRNVRNDHBVRWCW-UHFFFAOYSA-N 250.411 3.768 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 1124359525 MUSJLPLCVYIJTC-ZWNOBZJWSA-N 276.767 3.976 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(F)c(F)c1F 784106465 XZMLZFJYVYIONS-UHFFFAOYSA-N 285.265 3.591 30 20 CHED Cc1ccc(F)cc1COC(=O)c1cccc(CC#N)c1 782257001 PUHSBDDOHNIOBP-UHFFFAOYSA-N 283.302 3.557 30 20 CHED COc1cc(C=NNC2CCCCC2)ccc1OC(F)F 786042235 NMIOKPVFGFXNGK-UHFFFAOYSA-N 298.333 3.553 30 20 CHED C#Cc1cncc(-c2noc([C@H](CC)CC(F)(F)F)n2)c1 896553355 AYVVRDRRIFOHDS-SNVBAGLBSA-N 295.264 3.559 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)nc1 787029967 ZKXHKMDKDGLVNO-BDJLRTHQSA-N 297.789 3.945 30 20 CHED CC[C@H](C(=O)Nc1cccc(C#N)n1)C1CCC(C)CC1 1130316270 IHTDLHDZHGSBPD-PIMMBPRGSA-N 285.391 3.744 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(NC(C)C)nc2)no1 896960546 WOKZHAVGULFTPT-UHFFFAOYSA-N 299.378 3.533 30 20 CHED COc1cccc(/C=N\[C@H]2C[C@H](c3cccc(F)c3)C2)c1O 797785105 TWXANLSSTWVJIJ-DFMICKTPSA-N 299.345 3.905 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccc(Cl)s2)CCC1 791557526 DYDRKDMOFVCQDY-UHFFFAOYSA-N 298.791 3.874 30 20 CHED C=C(Cl)CNCc1ccc(N(C)C)cc1C(F)(F)F 793048486 LLBKNJTYCPLLJX-UHFFFAOYSA-N 292.732 3.614 30 20 CHED c1ccc(C2CCC(=NNc3cncnc3)CC2)cc1 794978496 HWRUTSKWRDABLW-UHFFFAOYSA-N 266.348 3.602 30 20 CHED CCSc1ccccc1CCNC[C@@H](C)CCC#N 896830603 BFTSJZBBSBZECZ-AWEZNQCLSA-N 276.449 3.871 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)c1cccc(CC(C)C)c1 796564176 ROIMINKZPLZKOL-ZDUSSCGKSA-N 279.811 3.857 30 20 CHED C[C@@H](C#N)OCCNc1cccc(-c2ccccc2)c1 689675022 XLBAMGYJLOCSGW-AWEZNQCLSA-N 266.344 3.694 30 20 CHED O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccnc(F)c1 794722987 ZVHKZHCCYJGPIR-SREVYHEPSA-N 294.285 3.772 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2C)ccc1F 63056473 YCSBXSWFISUPEC-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=C(Br)CNC(=O)c1cccc(C2CCC2)c1 798933250 SFEOFQSAWHMHND-UHFFFAOYSA-N 294.192 3.593 30 20 CHED CCc1onc(-c2ccccc2)c1C(=O)O[C@H](CC)CC#N 796885478 APLWQTPJLIKFPF-CYBMUJFWSA-N 298.342 3.753 30 20 CHED Oc1ccc(F)c(C=NNc2cccc3cnccc23)c1F 794508950 UYEVBZCVAPDXDE-UHFFFAOYSA-N 299.280 3.665 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCN(CC2CC2)C1 793541448 NIWSQDHGYHFBDY-DOTOQJQBSA-N 264.457 3.585 30 20 CHED FC(F)C1CCC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)CC1 799484454 DIOMLKASGBXYON-UPHJKXPDSA-N 256.340 3.576 30 20 CHED O=C(/C=C\c1ccsc1Cl)c1cc(O)ccc1O 790222124 NUPVNHVWEZUNFB-IWQZZHSRSA-N 280.732 3.709 30 20 CHED Cc1nn(C(C)C)cc1C=NNc1nc2ccccc2s1 799105384 VQFCYNBHRUYBHR-UHFFFAOYSA-N 299.403 3.828 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1cc(C)n(C)n1 799874856 CWXDNOYWZYRTCT-UHFFFAOYSA-N 297.189 3.871 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCC[C@@H]1CCF 794864919 FOIVUKAVEUBZKC-GFCCVEGCSA-N 293.411 3.797 30 20 CHED C[C@]1(C=NNc2nc3cc(F)c(F)cc3[nH]2)CCCS1 792963116 VTVLSRBHCMVRKX-CYBMUJFWSA-N 296.346 3.525 30 20 CHED N#C[C@H]1CCCN(c2ccnc3cc(Cl)ccc23)C1 693974107 NEQGANWNMYWGPX-LLVKDONJSA-N 271.751 3.628 30 20 CHED Cc1cc(Cl)nc(CNc2c(F)cc(C#N)cc2F)c1 799965109 URUIQFOXKTVLMV-UHFFFAOYSA-N 293.704 3.805 30 20 CHED C=CCC1(C(=O)Nc2ccc(CN(C)C)c(F)c2)CCC1 790723381 JBHJPSBCCDTZLB-UHFFFAOYSA-N 290.382 3.572 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](CC)c1ccc(Cl)s1 791067982 MUPQBLFMYBYDAA-MNOVXSKESA-N 298.839 3.954 30 20 CHED C=CCC(C)(C)C(=O)OCc1coc(C(C)(C)C)n1 797246998 GMBHHSTVKAURMA-UHFFFAOYSA-N 265.353 3.618 30 20 CHED C=CCCCN1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799359776 CDMSONMOGFCIBB-HNNXBMFYSA-N 296.455 3.579 30 20 CHED CCC[C@H](C)N(C)c1nc(C(F)(F)F)ccc1C#N 78833833 LURQKVNRVCZJNB-VIFPVBQESA-N 271.286 3.597 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H](CC(C)C)C1 1307582039 DYXKRYOQGROGHW-MRXNPFEDSA-N 286.419 3.825 30 20 CHED CCc1nc(C#N)cc(N[C@H](CC)c2ccc(F)cc2)n1 1162892514 SBJPUQKHAWUPRL-CQSZACIVSA-N 284.338 3.613 30 20 CHED Cc1nc(C#N)cc(N(Cc2ccccc2)CC(C)(C)C)n1 1162466359 POFMOZXTXDIFCT-UHFFFAOYSA-N 294.402 3.709 30 20 CHED CC(C)(C)[C@@H]1CN(c2ccnc(C#N)n2)c2ccccc21 1163185572 UFCVOUXFMCWXOW-CYBMUJFWSA-N 278.359 3.630 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCN(CC)C1)c1ccco1 1325887444 DTKKJUXBZDTXPM-HOTGVXAUSA-N 276.424 3.608 30 20 CHED C[C@]1(CN(CCC#N)CC2CC2)C[C@@H]1c1ccccc1 1180031013 SHDDLFSAYJOSHZ-QZTJIDSGSA-N 268.404 3.806 30 20 CHED N#CCC1(CN2Cc3ccccc3C3(CCC3)C2)CC1 1331772216 WIWUAIIZAOPUHK-UHFFFAOYSA-N 266.388 3.618 30 20 CHED Cc1cnc(CSCCCCC2(C#N)CCC2)nc1 1335239353 PPEVRUCVDSJQJV-UHFFFAOYSA-N 275.421 3.882 30 20 CHED CCC[C@@]1(C)CCCN(CCOc2ccccc2C#N)C1 1191257776 KWCAXJYPCQCPMD-SFHVURJKSA-N 286.419 3.839 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)CCC1CCCCCC1 1349703763 ZYUDVFBAEFCHIS-OAHLLOKOSA-N 287.407 3.830 30 20 CHED COC[C@H](NCCCCC1(C#N)CCC1)c1ccccc1 1262238261 VLMGWFYYOUACHP-KRWDZBQOSA-N 286.419 3.828 30 20 CHED N#C[C@@H](C(=O)c1ccc(Cl)c(F)c1)c1cccc(F)n1 1343332210 XTQUBSKOTWMSIC-SECBINFHSA-N 292.672 3.503 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(c1)CCN2 109193784 PMXPALGCZWQRRU-UHFFFAOYSA-N 260.381 3.954 30 20 CHED N#Cc1c(F)cccc1N1CC2(CCC2)[C@H]1c1cccnc1 1515991012 VBYMOEYAGAZYQL-QGZVFWFLSA-N 293.345 3.824 30 20 CHED CC(C)[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 112675835 XZIKTDJZAHXSCW-SJORKVTESA-N 256.393 3.863 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1ccc(CC#N)cc1 1527767172 IFJUQVLHRCCZSN-DVOMOZLQSA-N 271.360 3.734 30 20 CHED CC(C)n1ccc(CNc2ccc(C#N)cc2Cl)n1 225235255 OYXOJCBOQRJKMA-UHFFFAOYSA-N 274.755 3.601 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCC[C@H](CCCC(=O)O)C1 1603592323 YCVPJYSVKIPCTF-HUUCEWRRSA-N 294.439 3.720 30 20 CHED N#Cc1ccccc1SCc1ccccc1C(=O)O 1601127537 NKLRDVAXSQAQJH-UHFFFAOYSA-N 269.325 3.549 30 20 CHED Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1C(=O)O 1600459920 MMFFZOVLEVJEFA-LBPRGKRZSA-N 280.327 3.738 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCOc2c(F)cccc21 1613000171 IIGDBSLEJWAJKS-OAHLLOKOSA-N 286.281 3.772 30 20 CHED CCCCC1CCC(CNc2nccnc2C#N)CC1 1472668748 XGZPPTMHMDHANM-UHFFFAOYSA-N 272.396 3.757 30 20 CHED C=CCN(CCOc1ccccc1C#N)Cc1ccccc1 60467854 FLLPTRUPUOLAGS-UHFFFAOYSA-N 292.382 3.625 30 20 CHED CSCCCCCNc1ccc(C#N)cc1F 229569343 DKQORDSWWUXCKI-UHFFFAOYSA-N 252.358 3.643 30 20 CHED CC[C@@H]1Cc2ccccc2CN1c1cc(C)c(C#N)cn1 1639749110 BHCWFPZGAPLILD-QGZVFWFLSA-N 277.371 3.603 30 20 CHED Cc1cc(C)c([C@H](C)N2CCC[C@H](C#N)C2)c(C)c1 1560130249 NWHWDCXZBBCIJB-JKSUJKDBSA-N 256.393 3.908 30 20 CHED C=CCCC[C@@H](C)N[C@@H](CC)c1ccc(-c2nn[nH]n2)cc1 1588594051 KFAFZHQFRGVDSR-CJNGLKHVSA-N 299.422 3.652 30 20 CHED CCC[C@H](Nc1cc(C#N)nc(C)n1)c1ccccc1 1651312843 DEIBPUYVLQTBNF-HNNXBMFYSA-N 266.348 3.610 30 20 CHED CCC[C@H](NCc1ccc(OC)c(C#N)c1)C(C)(C)C 1656273171 XADUROPNUBUTSM-INIZCTEOSA-N 274.408 3.871 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)Cc1cccc(C)c1 1652158833 LQLMYMOPMNSLOR-AWEZNQCLSA-N 280.371 3.918 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CCC2C[C@H](C)C[C@@H](C)C2)C1 1776160489 JGIHJBWCAIKBEL-RKVPGOIHSA-N 293.451 3.802 30 20 CHED CC(Cc1cccc(C)c1)=NNc1ccc(C(=O)O)cc1 1776012338 PEZMLVYESOWUOY-UHFFFAOYSA-N 282.343 3.724 30 20 CHED CC(=NOC(C)C)c1sc2ccccc2c1C(=O)O 1776077612 JFFBBETWRVJIBH-UHFFFAOYSA-N 277.345 3.749 30 20 CHED C=CCC[C@@H](NCC1=CCCOC1)c1ccccc1 158828263 BIKGPXGXLXSCRW-QGZVFWFLSA-N 257.377 3.630 30 20 CHED Cc1cc(C#N)ccc1OCc1noc(C2CCCCC2)n1 160763553 OLZBFUKANYWTPD-UHFFFAOYSA-N 297.358 3.876 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H]1c1ccsc1 156107132 MHSYSXUYUSLNIF-MRXNPFEDSA-N 298.411 3.965 30 20 CHED C=CCCC(=O)N(CC1CCCCC1)c1ccccn1 157570599 NDLJKTSDJVOISA-UHFFFAOYSA-N 272.392 3.961 30 20 CHED Cc1ccc(CN(C)Cc2cc(C#N)ccc2F)cc1F 155398593 KAZKKXKUVIHLIB-UHFFFAOYSA-N 286.325 3.777 30 20 CHED Cc1ccc(CNc2cccc(OCCCC#N)c2)o1 37777402 SSKAYWHNLQTAQW-UHFFFAOYSA-N 270.332 3.883 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])cc1C#N 48553441 CQAILKSCSJKALX-JTQLQIEISA-N 287.344 3.571 30 20 CHED C#CCCCCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 179676327 CQISCSMWJAIWHS-GFCCVEGCSA-N 279.330 3.678 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 182008228 UOAAJLFJIOLBEY-LSDHHAIUSA-N 272.392 3.984 30 20 CHED Cc1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)ccc1F 63060416 VBOFCNQDORANBU-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CC3CCC2CC3)c1 308189519 IGRVLCDODHCXOU-PXCJXSSVSA-N 268.360 3.632 30 20 CHED N#Cc1ccc(CNCc2sccc2Cl)cc1F 404148361 KSOBADSRPIPYDM-UHFFFAOYSA-N 280.755 3.702 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H](C3CC3)C2)cc1F 404688994 QRNZFAHYBSSBCM-GOEBONIOSA-N 272.367 3.756 30 20 CHED COc1cc(CNc2cccc(C#N)c2)ccc1Cl 600851009 UJRWVZVINMXXRW-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CCCCc1ccc(C(=O)N(CC)C[C@@H](C)C#N)cc1 604352965 GXRPUXKQDMPVQP-AWEZNQCLSA-N 272.392 3.651 30 20 CHED Cc1nc(N(C)CC2CCCCC2)c(Cl)cc1C#N 311551611 IVWNKZWORUAPGI-UHFFFAOYSA-N 277.799 3.932 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCCc2ccc(O)cc21 311735080 RUYYCPRQOZIXAQ-MRXNPFEDSA-N 259.393 3.962 30 20 CHED N#CCCCOc1ccc(Br)c(Cl)c1 313495161 FGKQSBIWNSSUBC-UHFFFAOYSA-N 274.545 3.785 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1cccc(CC#N)c1 313458688 FCAFLVGXYTWVNI-AWEZNQCLSA-N 256.349 3.517 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCC[C@H](C3CC3)C2)c1 467446344 DNFHVFPOEODKHZ-ZWKOTPCHSA-N 268.404 3.659 30 20 CHED CC(C)[C@H]1CCCC[C@H]1NCCc1cccc(C#N)c1 467451892 ZRLSVLMHZWYHHE-QZTJIDSGSA-N 270.420 3.905 30 20 CHED Cc1cc(C(=O)COc2cc(F)cc(C#N)c2)c(C)s1 336829132 AAYYURONGAUHFK-UHFFFAOYSA-N 289.331 3.637 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCC(C)(C)C1 361472588 ZIIKQHJCYRTLBS-AWEZNQCLSA-N 260.356 3.708 30 20 CHED C=C(C)CN(CC)Cc1c(C(=O)O)oc2ccccc12 382544352 XZOCGNWPOHVXJG-UHFFFAOYSA-N 273.332 3.529 30 20 CHED CC(C)C[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 396778141 KNAOSXMNQAETCV-OAHLLOKOSA-N 260.356 3.708 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C1CCC2(CC1)CC2 854445336 NPNCFSCFZALPAM-UHFFFAOYSA-N 281.399 3.619 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=S)NN=C1CCCCCC1 7994262 ULTPJUZAYMUCRJ-TZMCWYRMSA-N 281.469 3.739 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H](CC)c1ccccc1 101585640 HNIOLUCYZLGFRM-GXTWGEPZSA-N 263.406 3.562 30 20 CHED C=CCCC(=O)N(C)Cc1ccccc1C(F)(F)F 102327135 NHISALMNWDQQGK-UHFFFAOYSA-N 271.282 3.630 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)/C=C/c2ccc(Cl)s2)C1 179964458 KFWALQREHLAJHM-HANDCERCSA-N 281.764 3.650 30 20 CHED N#Cc1csc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 344348018 IJNXINPILDDYAR-MGPQQGTHSA-N 260.406 3.678 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CC=CCC2)C(C)C)c1 102909354 VPNRPOVYPXTUIB-INIZCTEOSA-N 267.372 3.766 30 20 CHED C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 105717798 SQVFFYFNTXBQNA-GFCCVEGCSA-N 281.315 3.682 30 20 CHED N#C[C@H](NC(=O)CC1CCCC1)c1ccc(Cl)cc1 106421361 HSMVFIOIKUTDAK-AWEZNQCLSA-N 276.767 3.601 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(CSCC)cc1 55115810 RGFTZDOKPWWDIX-UHFFFAOYSA-N 277.433 3.978 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]1C)c1nc(-c2ccccc2)cs1 57329457 LVDDEDWPPJNAMN-OCCSQVGLSA-N 298.411 3.985 30 20 CHED Cc1cnn(CCCCCN(CCC#N)CC(C)(C)C)c1 111250142 WLLOPWSHGFMXKD-UHFFFAOYSA-N 290.455 3.624 30 20 CHED C#CCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 172946941 JMMKDAJRNYCQBB-CHWSQXEVSA-N 296.197 3.627 30 20 CHED C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(C#N)cc1 26111292 ZZXACIMGBIMKPI-GFCCVEGCSA-N 290.322 3.795 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccccc1 116856270 GPQIGJAQDMSVCB-CQSZACIVSA-N 293.366 3.612 30 20 CHED C=C(C)CN(CC)C(=O)c1ncoc1-c1ccc(C)cc1 172728295 LUOOAPOPKURBMY-UHFFFAOYSA-N 284.359 3.688 30 20 CHED C=CCN(CC=C)C(=S)NC12CC3CC(CC(C3)C1)C2 60476827 DAVTZCUTMLUYOT-UHFFFAOYSA-N 290.476 3.504 30 20 CHED N#CCCCOC(=O)CCn1ccc2cc(Cl)ccc21 179199720 UPKFZYSDIRGOOJ-UHFFFAOYSA-N 290.750 3.532 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(F)c(C)c2)CC1 111757630 GBEZQBJCXOIMID-UHFFFAOYSA-N 262.328 3.564 30 20 CHED N#Cc1ccccc1CNC1(c2cccc(Cl)c2)CC1 179093182 JCBKPJWEFDYTFU-UHFFFAOYSA-N 282.774 3.991 30 20 CHED C[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(C#N)cn1C(C)(C)C 176691556 WKMGJZOSIKEDAQ-TXEJJXNPSA-N 288.395 3.519 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C[C@@H]2CCc3ccccc32)n1 115901038 HLXTXRWCPCIPQX-ZFWWWQNUSA-N 296.395 3.748 30 20 CHED CCCC[C@@H](CCC)CNC(=O)N1CCC(C#N)CC1 128071168 JOESWWPQOGQARX-OAHLLOKOSA-N 279.428 3.538 30 20 CHED N#CCCCCNc1nc(C(F)F)nc2ccccc12 301187073 FGIDHNAVKKYOBP-UHFFFAOYSA-N 276.290 3.673 30 20 CHED Cc1cc([C@H](C)Nc2c(C#N)cccc2C#N)c(C)o1 302460157 RGQVDSPHKGNXHN-NSHDSACASA-N 265.316 3.813 30 20 CHED C=CCCCOC(=O)C[C@H](C)c1cccc(F)c1 303684175 JXBGKNXPFFYXFP-LBPRGKRZSA-N 250.313 3.829 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1nc2ccccn2c1C#N 302238159 WOIHQGYVWMJETB-AWEZNQCLSA-N 290.370 3.996 30 20 CHED C=C(C)COCCNC(=O)Nc1cccc2ccccc12 125637184 SAXJDIWYPLHXPH-UHFFFAOYSA-N 284.359 3.554 30 20 CHED CCCCOc1ccc(NC(=O)c2cc(C#N)c[nH]2)c(C)c1 175396026 DLWFLMOHHSJEPT-UHFFFAOYSA-N 297.358 3.626 30 20 CHED CC[C@@H](C#N)NCC(c1ccccc1)c1ccccc1 122196931 HUZKPXMRMJUQRG-KRWDZBQOSA-N 264.372 3.710 30 20 CHED CN(c1ccc(Cl)c(C#N)n1)[C@@H]1CCc2ccccc2C1 301303985 WYJBSELAWLENBZ-CQSZACIVSA-N 297.789 3.600 30 20 CHED CC1(C)[C@@H]2CN(c3ccc(C#N)cc3C(F)(F)F)C[C@H]21 301436899 HOGXTVCRGOEXBA-VXGBXAGGSA-N 280.293 3.669 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(OC2CCCC2)CC1 129028988 ZYQAXPWQRNZQID-UHFFFAOYSA-N 291.435 3.705 30 20 CHED CCc1oc2ccccc2c1C(=O)NC1(C#N)CCCCC1 125751032 BVMKRSLGHOMXQB-UHFFFAOYSA-N 296.370 3.951 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)CCCc1ccccc1 180148263 BYKKOYNLJQWHQZ-MAUKXSAKSA-N 286.419 3.700 30 20 CHED CC[C@H](CC#N)OC(=O)c1csc(-c2cccs2)n1 187905423 PGBCSYDAQVYPFW-SECBINFHSA-N 292.385 3.721 30 20 CHED Cc1cccc([C@H](C)CN[C@@H]2CCC[C@H](C#N)C2)c1 185843173 KTBKTVLXCHZBMZ-HLLBOEOZSA-N 256.393 3.771 30 20 CHED Cc1cccc(NC(=O)c2cccc(CC#N)c2)c1Cl 73344545 JCVSAYVDUPLRAC-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C[C@@H](C#N)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 125220733 NSKWLVQTADLXFN-LBPRGKRZSA-N 290.794 3.570 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cccs1 181133545 OZCDVBPXBXCUMO-NSHDSACASA-N 258.346 3.651 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@H](C)c2cccc(C#N)c2)c1 75276250 OEUCWVQCODKJIX-HUUCEWRRSA-N 292.382 3.848 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1ccc(F)c(F)c1 120365704 YSAWRPZNFKQQBQ-LLVKDONJSA-N 266.287 3.763 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)Cc1ccccc1 181411937 RJPQAKVQPOOOPA-HNNXBMFYSA-N 274.408 3.963 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCc1ccoc1C 72020002 NYNPKQPNRJWLNK-UHFFFAOYSA-N 290.388 3.547 30 20 CHED C=CCOCCSCc1ccc(-n2ccnc2)cc1C 419458169 BGSWKKABBMYQAD-UHFFFAOYSA-N 288.416 3.617 30 20 CHED N#Cc1cc(NCc2ccc(F)cc2)ccc1Cl 35229961 PSNCEKAIEGLGCW-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#Cc1ccc(CNCc2cccc3cccnc23)c(F)c1 317629563 VVGQFBMCUWZWJJ-UHFFFAOYSA-N 291.329 3.535 30 20 CHED C=C(C)CN1CCC(N[C@@H](CCC)c2cccnc2)CC1 185384331 QMHAYSSVPFLIOO-SFHVURJKSA-N 287.451 3.553 30 20 CHED N#C[C@H]1CCC[C@H](NCc2coc(-c3cccs3)n2)C1 185799547 GTPCTDUXOHRULM-RYUDHWBXSA-N 287.388 3.575 30 20 CHED C=CCC[C@@H](Nc1cccc([C@H]2CCC(=O)N2)c1)C1CC1 414314189 LCNPBROEQCFCHZ-IAGOWNOFSA-N 284.403 3.794 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CCC(F)(F)F)cc1 79790340 YDACCDYYDMWMNK-UHFFFAOYSA-N 284.281 3.584 30 20 CHED CS[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1 415382927 BFMIZSNSPRLUSG-XJKSGUPXSA-N 290.432 3.535 30 20 CHED C=C(C)COCCNC(=O)Nc1cccc2ccsc12 501271310 FEYJNDKHZMPNAR-UHFFFAOYSA-N 290.388 3.616 30 20 CHED CC[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)cc1 414348351 ODAPDWZFSSHGMC-OWCLPIDISA-N 266.344 3.748 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ncc(C)o1 411170127 WJYPCTGBQHWRIY-CQSZACIVSA-N 283.375 3.828 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCCN(C2CCCC2)CC1 189896953 SDVULCKJJAWBLQ-INIZCTEOSA-N 297.446 3.570 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C)ccc1Br 410628376 XTPOLOBLZLZLCK-UHFFFAOYSA-N 282.181 3.908 30 20 CHED COc1ccc(Cl)c(CSc2cc(C#N)ccn2)c1 187887904 DQCLAECGYUESKU-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCc1cccc2ccccc12 188120778 ZOTSFQDQRZSXRF-LJQANCHMSA-N 297.398 3.685 30 20 CHED C=C(Cl)CSCc1nc(-c2ccccc2F)no1 187885141 JREOUIAWMOSXOZ-UHFFFAOYSA-N 284.743 3.861 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 180805905 QMMQWMPPYUCLSU-HNNXBMFYSA-N 288.435 3.960 30 20 CHED COc1ccc(C)cc1[C@H](C)Nc1ncc(C#N)cc1F 413036277 PTDLVKMBLKMSNI-NSHDSACASA-N 285.322 3.583 30 20 CHED C[C@H](C#N)Oc1ccccc1NCC1CCCCC1 182577316 QQOSQIMCPKHBEI-CYBMUJFWSA-N 258.365 3.970 30 20 CHED N#CCc1cccc(NC(=O)c2ccc3ncccc3c2)c1 313459535 JCDIZNXWNVUXKK-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnc2ccccc2c1 135525499 DMQBFIKGXOSBEV-MRXNPFEDSA-N 254.333 3.776 30 20 CHED C=CCC[C@@H](N[C@H](C)c1ccn(C)n1)c1ccccc1 414090548 KQFDNFRNOOTXMU-RHSMWYFYSA-N 269.392 3.778 30 20 CHED CC(C)c1ccc([C@@H](C)OC(=O)C(C)(C)C#N)cc1 183239606 IVZDXZFCKCZZHD-GFCCVEGCSA-N 259.349 3.964 30 20 CHED C=CCOc1ccc(OCc2ccc(C#N)cc2OC)cc1 500867911 OEYGNIVHNXWMAZ-UHFFFAOYSA-N 295.338 3.711 30 20 CHED Cc1ccsc1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416096332 DJALEQGUAHVXTJ-OAHLLOKOSA-N 296.395 3.736 30 20 CHED Cc1ccccc1[C@@H](NC(=O)NC[C@H](C)C#N)C(C)(C)C 182705356 HWKAMWYHQLMARG-IUODEOHRSA-N 287.407 3.541 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1ccc(OC)c(OC)c1 414164573 KIURZHLUKZDKGI-AWEZNQCLSA-N 290.407 3.684 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2ccc3ncsc3c2)CCC1=O 328957469 ZQHOTSSVVWDDMH-UWVGGRQHSA-N 288.372 3.890 30 20 CHED C=CCN(CC=C)Cc1ccc2ccccc2c1O 138334804 WBJIUZNQLFBHNU-UHFFFAOYSA-N 253.345 3.719 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C#N)cc1 413103684 LOYXZMRGDOOCPW-JKSUJKDBSA-N 299.418 3.572 30 20 CHED CO[C@@H](C)CCC(=O)Nc1scc(C(C)(C)C)c1C#N 410932544 YJCXCRNXUMQGPN-JTQLQIEISA-N 294.420 3.671 30 20 CHED CCCOc1cccc(NC(=O)c2cccc(CC#N)c2)c1 49700238 ZFVKLTXWEPCUCD-UHFFFAOYSA-N 294.354 3.794 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1[N+](=O)[O-] 134503726 NNJWVNPNURWJBN-GQCTYLIASA-N 298.323 3.733 30 20 CHED N#Cc1ccc(OCCCO[C@H]2CCCCO2)cc1Cl 190250709 MYMFDSUAOLCXIB-HNNXBMFYSA-N 295.766 3.524 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)Nc1cccc(C#N)c1 609158230 WAGULRBDIYWPPD-UHFFFAOYSA-N 273.380 3.895 30 20 CHED Cc1ncc(N=C(O)c2ccnc(C3CC3)c2)c(C2CC2)n1 329812259 RYVPZGNDKIVSIX-UHFFFAOYSA-N 294.358 3.571 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1 42384106 IUWFZJLHDKUIIU-HNNXBMFYSA-N 296.395 3.791 30 20 CHED CCCCCCCS(=O)(=O)N(C)[C@H](C)c1ccco1 195186255 LWBLWDCRFQDZFQ-CYBMUJFWSA-N 287.425 3.573 30 20 CHED CC[C@@H](N[C@@H](CO)C1CCCCC1)c1ccc(C#N)cc1 517215493 OAVZHJNEKOHYAJ-MSOLQXFVSA-N 286.419 3.540 30 20 CHED C#CCOc1ccc(CNCCC2=CCCCC2)cc1 45945979 QDUMQZDYXMQUDF-UHFFFAOYSA-N 269.388 3.679 30 20 CHED O/C(C[C@H]1CCCO1)=N\[C@H](c1ccccc1)C1CC1 46764763 ZLQUFDLNHDGJKK-GDBMZVCRSA-N 259.349 3.663 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](CCC)c1ccccc1 193166742 ZWNHTYJDCKNKKD-INIZCTEOSA-N 257.377 3.771 30 20 CHED Cc1nnc([C@H](C)/N=C(/O)[C@@H]2CCc3ccccc32)s1 329508347 JHNSAUCRKSFLDF-TVQRCGJNSA-N 287.388 3.594 30 20 CHED CC(C)(C)c1cnc(NC(=O)C2(C#N)CCCCC2)s1 81234530 WAQQTNZAIMYTGU-UHFFFAOYSA-N 291.420 3.853 30 20 CHED N#CCOc1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1 194515241 YDRLZKIYWPUHIL-IBGZPJMESA-N 292.382 3.830 30 20 CHED C=CCC1(C(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 191842432 IGIDIYUSEDBDTQ-UHFFFAOYSA-N 274.751 3.897 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccccc2)cc1OC 512755107 HINJFAADZGYQPM-UHFFFAOYSA-N 280.371 3.708 30 20 CHED O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 192762797 NUXDRPSLPWWGQW-DAFODLJHSA-N 288.690 3.539 30 20 CHED C[C@@]1(C#N)CCCN(Cc2csc(-c3ccco3)n2)C1 612164507 CVNZOGRFSWZPII-HNNXBMFYSA-N 287.388 3.529 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cccc(C(F)(F)F)c2)C1 612161235 BDTKQMTWZVCODV-AWEZNQCLSA-N 282.309 3.831 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccc(SC(F)F)cc1 86279497 UKPAJAPBPHLXGC-SECBINFHSA-N 299.346 3.767 30 20 CHED C=C(C)C(C)(C)C(=O)NC1CCc2ccccc2CC1 424865307 CWXJCTLGIDWNDR-UHFFFAOYSA-N 271.404 3.653 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)Nc1cccc(C#N)c1 510303347 HLXRJEINMYZBMN-CYBMUJFWSA-N 285.391 3.991 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 425629979 RFBFKSUSDLPSCE-UHFFFAOYSA-N 276.336 3.698 30 20 CHED CC(=O)c1ccc(O[C@@H](C)c2ccc(C#N)cc2)cc1 194621760 VRTPMTCDEMARCZ-ZDUSSCGKSA-N 265.312 3.901 30 20 CHED CCCOc1cc(/C=C/C(=O)c2ccncc2)ccc1OC 192763255 YJVHZXUWALVHAS-GQCTYLIASA-N 297.354 3.775 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(-c2ccc(C)cc2)c1C 517753844 LSMPPXYRIFDXTN-HNNXBMFYSA-N 297.402 3.574 30 20 CHED C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCCC1 337808501 JOGGQOFJTGSYAW-MRXNPFEDSA-N 296.418 3.606 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C(F)(F)F)ccn1 191229773 QWEXRDBJQYTJGP-GFCCVEGCSA-N 272.270 3.641 30 20 CHED CCn1cc([C@@H](C)Nc2cccc(OCCCC#N)c2)cn1 194985180 NQNGOWRJQILBOA-CQSZACIVSA-N 298.390 3.759 30 20 CHED COc1cc(CN2CCC3(CCCC3)CC2)ccc1C#N 234998933 RMXDVAKXYBBVRC-UHFFFAOYSA-N 284.403 3.723 30 20 CHED N#C[C@@H](NC(=O)Cc1ccc(Cl)s1)C1CCCCC1 193831150 FUPSNVDDJPNNOP-GFCCVEGCSA-N 296.823 3.533 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(Cl)cc1 424524087 KGZSRISQIFHRDL-UHFFFAOYSA-N 251.757 3.559 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](C2CCCC2)C1 421647379 UVCYOIHWEZCSRD-INIZCTEOSA-N 261.409 3.794 30 20 CHED C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C 426426338 HDFWMAQJDLWRLZ-CHWSQXEVSA-N 281.321 3.787 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N(C)Cc1c(Cl)cccc1Cl 336248574 NVQCXCPOHXWHMO-OTYXRUKQSA-N 297.185 3.502 30 20 CHED Cc1cc(C)c(CNC(=O)[C@]2(C#N)CC23CCCC3)c(C)c1 333168731 JTSXODBQSWLOTB-LJQANCHMSA-N 296.414 3.702 30 20 CHED CC(C)[C@H](NCCOc1ccccc1C#N)c1ccccc1 511674931 MGAKSAYAMYEHMU-IBGZPJMESA-N 294.398 3.924 30 20 CHED N#CC1CCN(C(=O)c2sccc2-c2ccccc2)CC1 147085143 MCIQZQGTKVKDGX-UHFFFAOYSA-N 296.395 3.791 30 20 CHED C[C@H](CC(=O)N(C)c1ccccc1C#N)c1ccccc1F 337883414 UBSHIAFVSGWRCH-CYBMUJFWSA-N 296.345 3.854 30 20 CHED C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccncc1F 335911329 AQORKYOPEMTRGL-VIFPVBQESA-N 275.714 3.919 30 20 CHED CC(C)[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 331737754 VUKXFCQYTIYXFU-SQWLQELKSA-N 297.402 3.648 30 20 CHED C[C@H](NC(=O)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 336418833 ADLRMMWQTCXERO-ZDUSSCGKSA-N 293.370 3.557 30 20 CHED N#Cc1nn(CCSc2ccccc2)c2ccccc12 432479653 QLWMMLBFSGIBRZ-UHFFFAOYSA-N 279.368 3.700 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)n(C2CC2)c1C 343238296 NEZUHPZDKQQYEJ-GFCCVEGCSA-N 274.408 3.914 30 20 CHED Cc1cccc(C(NC(=O)[C@H](C)C#N)c2cccc(C)c2)c1 439055561 FFZHCHWLKBGLLY-OAHLLOKOSA-N 292.382 3.669 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(F)cc1Cl 620864249 XRABGJPZSIQVHQ-UHFFFAOYSA-N 269.747 3.954 30 20 CHED CCOc1cccc([C@@H]2C[C@H]2Nc2snc(C)c2C#N)c1 342919303 UBKOPPJVDAXDMN-DZGCQCFKSA-N 299.399 3.690 30 20 CHED CCC(CC)[C@H](CN[C@H]1CCC[C@@H](C#N)C1)N1CCCC1 248897480 UATVPZJNTFBYPL-NJAFHUGGSA-N 291.483 3.559 30 20 CHED CCC1(C)CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 522435214 HJJNXIXQMBBEDR-AWEZNQCLSA-N 299.418 3.841 30 20 CHED C[C@H](CCC#N)CNc1ccc(F)cc1OCC1CC1 602488352 UXJJWXCWXKPFSC-GFCCVEGCSA-N 276.355 3.966 30 20 CHED CC[C@@H]1CN(C[C@@H](C#N)CCC#N)CC[C@H]1c1ccccc1 245425893 KWRRZJXLQOFLKL-ZHALLVOQSA-N 295.430 3.946 30 20 CHED C[C@H](CF)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 348754077 YYZQZUGNWDLNOH-CQSZACIVSA-N 296.345 3.566 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247656792 PRAZZOQNFNMFGZ-PASATYPHSA-N 294.398 3.718 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@@H](CC)C2)CC1 524889882 ZPQGWZFJJIVTCW-CABCVRRESA-N 264.413 3.563 30 20 CHED C=CCN(C(=O)c1cc2cscc2s1)C1CC1 528959648 FKQFSJPYWNVOHS-UHFFFAOYSA-N 263.387 3.753 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C(C)=O)cc1F 346775917 HHAIPZSGVZKCQM-UHFFFAOYSA-N 291.366 3.847 30 20 CHED CC[C@H](N=c1ccc(Cl)c(C#N)[nH]1)c1ccccc1 609449175 ZSSSWWBFMKNZPV-ZDUSSCGKSA-N 271.751 3.592 30 20 CHED CN(C)c1cc(C#N)cc(-c2nc(C3CCCCC3)no2)c1 340567833 YOELDNYYYOCCTG-UHFFFAOYSA-N 296.374 3.722 30 20 CHED CCc1ccc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)o1 254914746 QHRILGCEPFYUJK-CLFYSBASSA-N 286.375 3.769 30 20 CHED N#Cc1ccc(/C=C\c2ccc(Cl)c(F)c2)nc1 255043222 IFDDNIVYUZMEPF-RJRFIUFISA-N 258.683 3.916 30 20 CHED COc1cccc(CON=Cc2ccccc2C)c1 255890878 LFSGISKFBZHCKZ-UHFFFAOYSA-N 255.317 3.554 30 20 CHED N#Cc1ccccc1NC(=O)C[C@H]1C[C@H]1c1ccccc1 340710120 GDEINSBDTLZSTQ-CVEARBPZSA-N 276.339 3.691 30 20 CHED CCSc1cccc(CNC[C@H](C)CCC#N)c1 602671342 HQHQBXYQGLXHFU-CYBMUJFWSA-N 262.422 3.828 30 20 CHED CC[C@](C)(NCc1ccc(CC#N)cc1)C(F)(F)F 541281647 GUIHZWFPFUNJJF-ZDUSSCGKSA-N 270.298 3.573 30 20 CHED Oc1ccc(C=Nc2ccc(Cl)cc2Cl)c(O)c1O 255846909 QWRPXJUHZSUGJF-UHFFFAOYSA-N 298.125 3.861 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CCC[C@H]1C1CCCC1 255002434 HCUOWWFKXPJQDB-JYBLJSLWSA-N 294.398 3.753 30 20 CHED CCC(C#N)(CC)c1nc(-c2cscc2C)no1 528181643 ZWGFOMVJHTZSDX-UHFFFAOYSA-N 261.350 3.688 30 20 CHED C=C(C)CN(C)[C@@H]1C[C@H](OCC)C12CCCCC2 607749802 YZUDTWMNBTUWGW-CABCVRRESA-N 251.414 3.622 30 20 CHED CC(C)(C)OC(=O)CCSCc1cc(C#N)ccc1F 440589761 RAXRPAHZSFNZRB-UHFFFAOYSA-N 295.379 3.662 30 20 CHED C=CCN(C)C(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 253585883 DTNLBYLFJOJZBY-JENIJYKNSA-N 283.415 3.680 30 20 CHED CC(C)(C)CCN1CCCN(Cc2ccc(C#N)cc2)CC1 609578038 UBRLRZKNZSYTAX-UHFFFAOYSA-N 299.462 3.502 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 254882981 FKBMHUWSTMUHOA-UHFFFAOYSA-N 273.267 3.570 30 20 CHED C=CC(C)(C)CNCc1cccc(OCCCC#N)c1 449485180 KUICCPARRAVTHP-UHFFFAOYSA-N 272.392 3.671 30 20 CHED C=CCC[C@H](CC)NCc1cn(CCCC)nc1C 537016255 DRVQARWCMLYJPB-INIZCTEOSA-N 263.429 3.826 30 20 CHED C=C(C)CCNCc1cccc(OCC)c1OC(F)F 449472168 FCJNBLDIXUPSFY-UHFFFAOYSA-N 285.334 3.743 30 20 CHED COC(=O)c1c(C)cccc1NCCCC(C)(C)C#N 357344697 QDIZTRMQSOSAGN-UHFFFAOYSA-N 274.364 3.524 30 20 CHED C=CCCNC(=O)c1cc(C(F)(F)F)ccc1Cl 628058302 FNVYVZGPWWJHSY-UHFFFAOYSA-N 277.673 3.665 30 20 CHED N#C[C@H]1CC[C@@H](NCCCCCc2ccccc2)C1 442790469 GRPYHKIRCLQHEI-DLBZAZTESA-N 256.393 3.681 30 20 CHED C=CCCCCCN(C)C(=O)Nc1sc(C)nc1C 268090445 AYNKLFGRNCTFAK-UHFFFAOYSA-N 281.425 3.970 30 20 CHED CN(Cc1ccc(CC#N)cc1)Cc1cc(F)cc(F)c1 444716305 PGWWGTRXTMRIBG-UHFFFAOYSA-N 286.325 3.663 30 20 CHED C=CCOc1ccc(/C=C(/C)c2cnccn2)cc1OC 354322539 SXVODHLXIUTZCU-RAXLEYEMSA-N 282.343 3.611 30 20 CHED CCN(CCCSCC#N)c1ccccc1Cl 441362668 VIWDXCOMEIHLBJ-UHFFFAOYSA-N 268.813 3.813 30 20 CHED C=CCC1(NCc2cnc(C)s2)CCCCC1 449577987 YLEMHFWWZQTCQO-UHFFFAOYSA-N 250.411 3.820 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)C1CC1 267187340 XSSOJGQNKXFRQG-PELKAZGASA-N 297.185 3.720 30 20 CHED C=CCC[C@H](N[C@@H]1CN(CC)C[C@H]1C)c1ccccc1 358324541 BTTOENZYTPCXFM-BPQIPLTHSA-N 272.436 3.624 30 20 CHED Cc1ccsc1CCNc1cccc(F)c1C#N 538003936 GMRWQJCDMPMXGT-UHFFFAOYSA-N 260.337 3.722 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C(F)(F)F)[nH]1 449918288 YDDJOERHIYXYBW-UHFFFAOYSA-N 288.313 3.852 30 20 CHED C=CCCCC[C@H](C)Nc1ccc2oc(=O)n(C)c2c1 449221574 KNXQJNFKEIEIKJ-LBPRGKRZSA-N 274.364 3.678 30 20 CHED C=CC[C@H]1N(C(=O)NC2CCSCC2)CCCC1(C)C 445008197 HWEQXQFSMHKDPK-CQSZACIVSA-N 296.480 3.658 30 20 CHED CC(C)(C#N)CNC(=O)c1ccccc1Nc1ccccc1 611695268 PHQURBXQSLCYRE-UHFFFAOYSA-N 293.370 3.710 30 20 CHED C=CC[C@H](CC)Nc1ccc(-c2nc(C)c(C)c(O)n2)cn1 357684377 LBSJQPDBTPANMD-AWEZNQCLSA-N 298.390 3.628 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@H]1CCCC[C@@H]1C 533876729 QIKJVSHQRMSSNO-SQWLQELKSA-N 264.413 3.647 30 20 CHED CCN(CCC1CC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 456066452 MGLJOKPISVELNL-UHFFFAOYSA-N 298.430 3.776 30 20 CHED C=C(CC)Cn1nnc(Cc2ccc(Cl)c(Cl)c2)n1 539095601 FQKWJPYQJYXKQP-UHFFFAOYSA-N 297.189 3.537 30 20 CHED CC#CCCCC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 458190598 NRQKGTJBUGIIPH-QGZVFWFLSA-N 275.436 3.997 30 20 CHED Cc1ccccc1CN[C@@H]1CCc2cc(C#N)ccc21 618741560 GGPXGTVGLGFSBD-GOSISDBHSA-N 262.356 3.644 30 20 CHED CC1(C)Cc2cccc(NC(=O)c3cc(C#N)cs3)c2O1 530395122 KREDNMNUEXFSGZ-UHFFFAOYSA-N 298.367 3.586 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1C(=O)NCCCCC#N 610795503 XPLPPQVOUVVOOM-KRWDZBQOSA-N 299.418 3.645 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCc3sccc3C2)n1 613410283 BVHAIRYDMNNRSO-UHFFFAOYSA-N 297.427 3.875 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(C)c(C)c1 618164450 SXKNCXNTRMQCBW-KRWDZBQOSA-N 259.393 3.564 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 455365237 KBEXUBIHEHLVFU-ZBFHGGJFSA-N 286.419 3.786 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc(OC(C)(C)C)cc1 453360845 PULFBENQESDCLJ-ZBFHGGJFSA-N 291.435 3.842 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 458012499 ZGRMIXOJTIRBPZ-DZGCQCFKSA-N 273.351 3.544 30 20 CHED C=CC1CCN(C(=O)NCC(C)(C)C2=CCCC2)CC1 455596521 GRXWOBJCVBYLRR-UHFFFAOYSA-N 276.424 3.731 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 276093927 MVLZVHDXTKRRIC-LLVKDONJSA-N 298.333 3.567 30 20 CHED Cc1cccc(CN(CC(C)C)C(=O)[C@@]2(C#N)C[C@@H]2C)c1 459974624 VSRLPVJWQNPPJH-MAUKXSAKSA-N 284.403 3.529 30 20 CHED Cc1cc2occ(CC(=O)NCCCC#N)c2cc1C(C)C 272986414 DVZYNARPJGARFW-UHFFFAOYSA-N 298.386 3.827 30 20 CHED N#Cc1nccnc1Sc1ccc2ccccc2c1 54380704 UWZPPFLJZOWIAW-UHFFFAOYSA-N 263.325 3.653 30 20 CHED CC(C)CCCCC(=O)N(CCC#N)CC(F)(F)F 457626994 XCLQMYHWILLRFF-UHFFFAOYSA-N 278.318 3.507 30 20 CHED C=CCC[C@H](C)NCCc1ccc(F)c(F)c1F 543623601 KKQGSXLGUMAKSW-JTQLQIEISA-N 257.299 3.591 30 20 CHED N#Cc1cc2c(nc1SCc1ccc(F)cn1)CCCC2 276179047 XJRGAPYNJXVFTF-UHFFFAOYSA-N 299.374 3.658 30 20 CHED CC[C@@H](CC(=O)Nc1cccc(CC#N)c1)C(C)C 456737575 SPRYMXYAAFSWCY-AWEZNQCLSA-N 258.365 3.763 30 20 CHED C#CC[C@H](N[C@H](C)c1cnccc1C)c1ccccc1 271425217 CLFRQMXQUSIESS-QAPCUYQASA-N 264.372 3.805 30 20 CHED C=CCC1(C(=O)NCC2(CCOC)CCCC2)CCCC1 450120340 RGEJYNUTZIDBSU-UHFFFAOYSA-N 293.451 3.836 30 20 CHED CCSCC[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 271951049 OMMBJLMJNDZELL-VXGBXAGGSA-N 280.412 3.880 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](CC)CNc1ccccc1 452456683 CDJJXZDRNSAJSW-RHSMWYFYSA-N 274.408 3.596 30 20 CHED C=C(C)CCNC(=O)c1cc(Cl)c(F)cc1Cl 452736437 FQHNOUKJHNPKGR-UHFFFAOYSA-N 276.138 3.829 30 20 CHED C=CCCc1noc(CCc2ccc(Cl)cc2)n1 453228663 AVJLCZUPEINVSI-UHFFFAOYSA-N 262.740 3.627 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(CC#N)cc1 543135749 DCPLIHPRCVUWLX-UHFFFAOYSA-N 280.371 3.788 30 20 CHED CCN(CCC(C)(C)C#N)[C@H](C)Cc1ccsc1 275177492 WGCGALBQHBBLKW-CYBMUJFWSA-N 264.438 3.941 30 20 CHED C=CCOCc1nc(-c2ccc(Cl)c(Cl)c2)no1 544908265 ACXYBQGGUBFHHK-UHFFFAOYSA-N 285.130 3.746 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)c(C)c(Cl)c1 620473157 JKGYPHKQQNFISC-UHFFFAOYSA-N 288.174 3.833 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 465122968 XOZUCECQZQQVPH-ZIAGYGMSSA-N 275.392 3.576 30 20 CHED N#CC1(CCCOc2ccc(Cl)c(F)c2)CCOCC1 281500705 YCDGOYCWACKKLM-UHFFFAOYSA-N 297.757 3.958 30 20 CHED C=CCN(C)C(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 551309769 XXISYXXHBJDZLN-ZDUSSCGKSA-N 299.336 3.919 30 20 CHED CCc1ccc(C2=CCN(c3ccnc(C#N)c3)CC2)cc1 557645993 ICYUMYBFLTUCHE-UHFFFAOYSA-N 289.382 3.809 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cscc2C)no1 289139143 RWOWIZKYXAIRBY-ZYHUDNBSSA-N 276.361 3.555 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 465179661 QTFGRTAINLDIEK-QMTHXVAHSA-N 291.782 3.912 30 20 CHED C=CCOCCSc1nc2cc(F)cc(Cl)c2o1 555052597 DMPOGHBTPREITO-UHFFFAOYSA-N 287.743 3.915 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(Cl)ccc1O 280779123 IAXLEOXUSCQXNX-MKBNYLNASA-N 295.810 3.677 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(-c2ccccc2)ns1 475793874 UVEQEXWHYILILQ-NSHDSACASA-N 287.388 3.896 30 20 CHED CSC1(CNc2ccc(OC(C)C)c(C#N)c2)CC1 809636697 ZAWWPPZEWGRKFG-UHFFFAOYSA-N 276.405 3.653 30 20 CHED CCN(CCCC(C)(C)C#N)c1ccccc1OC 472437777 CJCJJYQJAKSKDB-UHFFFAOYSA-N 260.381 3.851 30 20 CHED CC(C)Oc1ccccc1C=NOCCSC(C)C 800868411 YGXCSAZVYYJKCT-UHFFFAOYSA-N 281.421 3.966 30 20 CHED C[C@H]1CC[C@H](C=NNc2cc(F)c(F)cc2F)C1 800812542 HGTGDXFCFNUXML-IUCAKERBSA-N 256.271 3.938 30 20 CHED C=CCCCOc1ccc2cc(C(=O)OC)oc2c1 478848100 NDQUGBOPAQDHGG-UHFFFAOYSA-N 260.289 3.564 30 20 CHED C=CCCCCCN1CCC[C@@H]1[C@@H]1CCCOC1 645949188 QLQFXXVYMRHKEQ-HZPDHXFCSA-N 251.414 3.624 30 20 CHED CSCc1cccc(N=c2[nH]ccc(C#N)c2Cl)c1 561192309 QORPFEZUDTWXAQ-UHFFFAOYSA-N 289.791 3.635 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C(C)(C)C2CC2)n1 805891318 QGWKAKJGDYGGSW-NSHDSACASA-N 276.405 3.879 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)c1cccc(CC#N)c1 295586667 KHUYKHURKKOUDH-CQSZACIVSA-N 270.376 3.617 30 20 CHED CCC1(C(=O)OCCCC2(C#N)CCOCC2)CCCC1 800181970 SUNXDDNNUYOVBS-UHFFFAOYSA-N 293.407 3.601 30 20 CHED C=C(C)CNC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 560138878 DDBPVKBACDCXBD-CYBMUJFWSA-N 299.336 3.966 30 20 CHED C=C(C)COCCNC(=O)[C@H](CCC)CC1CCCC1 475055382 VWGHCBXXAABEBW-MRXNPFEDSA-N 281.440 3.692 30 20 CHED C=CCC1(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)CCC1 477814237 GCWOTVAGESHHHB-NSHDSACASA-N 290.432 3.953 30 20 CHED N#CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 397130322 URKYWXQPLXLQJI-GVDBMIGSSA-N 288.435 3.745 30 20 CHED CC#CCCOC(=O)c1cc(Cl)c(F)cc1Cl 815504108 KXXRVLJRAWHQAY-UHFFFAOYSA-N 275.106 3.703 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1 485600166 OEOLDORXXHSCQN-ZDUSSCGKSA-N 264.756 3.912 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc(Cl)o1 814915699 DZNPWVAPDWFAEJ-UHFFFAOYSA-N 268.675 3.527 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1Cl 486848154 UWXKYNWHPQLSBK-VIFPVBQESA-N 290.775 3.764 30 20 CHED COc1cccc(SCc2cccc(F)c2C#N)c1 488260989 WXAPBDNCVSABTR-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cc(SC)ccc1C 810664052 MTAIRAPALLVQHP-UHFFFAOYSA-N 295.407 3.879 30 20 CHED C=CCC(F)(F)C(=O)N(C)Cc1ccc(C(C)C)cc1 814739489 RIDKUCTYMBNGJX-UHFFFAOYSA-N 281.346 3.980 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@](C)(CCC)C1 488754774 VUSNQWAQTNEACL-QGZVFWFLSA-N 274.408 3.717 30 20 CHED C=C[C@@H]1CCCCN1CCCc1nc(-c2ccccc2)no1 489473229 JDZKXPTUICTDDU-MRXNPFEDSA-N 297.402 3.710 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1ccc(C(N)=O)cc1 812233041 QLSGIRFOSLIORV-UHFFFAOYSA-N 295.386 3.663 30 20 CHED CCC(=NNc1cc(F)cc(F)c1)c1ccco1 814812983 DRWRXNVRJPUZNI-UHFFFAOYSA-N 250.248 3.784 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2ccccc2Cl)nc1 578396721 GGAHFYMCGPLAFQ-QGZVFWFLSA-N 297.789 3.944 30 20 CHED C#CCCCC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 819749564 PZBNMSKCFFIXDK-INIZCTEOSA-N 269.388 3.790 30 20 CHED COc1cccc(/C=C/c2nc3ccccc3n2CC#N)c1 486102696 KMIVROUGCUIEIT-MDZDMXLPSA-N 289.338 3.739 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(F)cc1Cl 814702595 VFSNRHKAWIMGIL-UHFFFAOYSA-N 263.646 3.629 30 20 CHED Fc1ccc(-c2[nH]ncc2C=NNc2ccccc2F)cc1 812460779 ZUFPZSFMZDUXNK-UHFFFAOYSA-N 298.296 3.801 30 20 CHED Cc1nc(N2CC3(CCC3)[C@@H]2C(C)C)c(Cl)cc1C#N 488494300 AETVLGMCFVELLM-AWEZNQCLSA-N 289.810 3.930 30 20 CHED C=CC[C@H](N[C@@H]1CCc2cccnc2CC1)c1ccncc1 817577129 DRABAABIAUZAFA-MJGOQNOKSA-N 293.414 3.631 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(C3CC3)cc2)n1 659010685 WLLQNGCBCUGOIB-CQSZACIVSA-N 282.368 3.819 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC(=O)[C@H](C)C1 487676052 UKDKXNCPDCOXNN-GDBMZVCRSA-N 291.435 3.587 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(F)F)nc2)n1 656017597 AFEPHBAENAZAEH-UHFFFAOYSA-N 265.263 3.578 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H](C)C(C)C)cc1 573101102 HTKBGBOWXUBCNF-XJKSGUPXSA-N 272.392 3.564 30 20 CHED Clc1ccc(NN=C[C@@H]2CCCOC2)cc1Cl 814796952 XULIXBSQFNWJJR-VIFPVBQESA-N 273.163 3.818 30 20 CHED C=CCCCCOC(=O)c1cnn(CCCC)c1C 811010961 JJCIYCBNKRETJE-UHFFFAOYSA-N 264.369 3.505 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)c1cccc(Cl)c1 488582026 YBUIQWVIVBITJS-LBPRGKRZSA-N 288.778 3.819 30 20 CHED CCCCCCCC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 727494721 SVOGLPCCJDFGKT-HNNXBMFYSA-N 293.455 3.775 30 20 CHED CCC(=NNc1cccc(OC)c1)c1ccccc1 725853884 VMXDSFUXHIVRGS-UHFFFAOYSA-N 254.333 3.921 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@@H]1CCCC[C@@H]1C 820742669 XBSZSHZJDFVXKC-SQWLQELKSA-N 268.397 3.585 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1Cl 576003527 GXLSULXADVCTIM-LJWDBELGSA-N 289.766 3.522 30 20 CHED CCOc1ccc(OCc2ccc(C#N)cc2OC)cc1 499324693 QDGMJTHJJQDPII-UHFFFAOYSA-N 283.327 3.545 30 20 CHED C#C[C@@H](NCc1nc(C)cs1)c1ccc(Cl)cc1 491733111 MPYPPKAEQJGODR-CYBMUJFWSA-N 276.792 3.569 30 20 CHED Cc1cc(N(C)C)ccc1CNC1CCC(C)(C#N)CC1 823851613 RQQZTDAFSRILQY-UHFFFAOYSA-N 285.435 3.623 30 20 CHED C#CCCCOC(=O)c1cc(Cl)ccc1Cl 727040556 JPJWDWYSFTUHBS-UHFFFAOYSA-N 257.116 3.564 30 20 CHED CC[C@H](Cc1ccccc1)/N=C\c1c(O)cccc1OC 727781449 NPLPORYDTVGSTB-JPVKTXQWSA-N 283.371 3.841 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccc(O)c(F)c1 728427028 FWNKOBQPHMYCNC-UHFFFAOYSA-N 295.317 3.916 30 20 CHED C=C(Br)COC(=O)C[C@H](CC)C(C)C 729760079 DZRIHRVXGWIYGF-JTQLQIEISA-N 263.175 3.511 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@@H](CC(C)C)C1)C(=O)O 901691264 USYMWHKAMQATCY-KKUMJFAQSA-N 267.413 3.600 30 20 CHED C=CCCNC(=O)N1CCC[C@]1(C)Cc1cccc(F)c1 665941421 XQPYETXIQHNNIO-QGZVFWFLSA-N 290.382 3.508 30 20 CHED C=CCCNC[C@@H](C)c1ccc(C(F)(F)F)cc1 668481754 KTSQYTQOZOZCJM-LLVKDONJSA-N 257.299 3.975 30 20 CHED CCN(C(=O)CCCCCC#N)c1ccccc1F 588749632 CGUPSCVPYWQMGX-UHFFFAOYSA-N 262.328 3.653 30 20 CHED Cc1ccc(F)cc1NN=Cc1c(C)nn(C(C)C)c1C 901262901 OVFMVPCVKFLHDX-UHFFFAOYSA-N 288.370 3.974 30 20 CHED O=C1/C(=C/c2ccc(C3CCC3)cc2)CCn2ccnc21 901538269 YNAFKFWAWYABKP-FOWTUZBSSA-N 278.355 3.821 30 20 CHED CC(C)CN(CCCOC(C)C)Cc1ccc(C#N)cc1 491029831 XFLHJESXLDAPAP-UHFFFAOYSA-N 288.435 3.831 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N(C)c1ccc(-c2ccccc2)cc1 582885788 GPOVZPGHSMRNLP-AUUYWEPGSA-N 290.366 3.866 30 20 CHED C=C[C@](C)(CC)COC(=O)c1ncccc1Br 838866955 YOLGURPVIWZMAW-CYBMUJFWSA-N 298.180 3.603 30 20 CHED CCC(CC)CN(CC)Cc1ccc(OCC#N)cc1 733609681 HAYVHGYEJYLYQD-UHFFFAOYSA-N 274.408 3.847 30 20 CHED C#CC(C)(C)NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 733883683 YCIWRHVVASIJBW-ZHACJKMWSA-N 295.304 3.637 30 20 CHED Clc1ccc(/C=C/CON=C2CCCOCC2)cc1 588557366 VSCIDFSXXWYVJP-LCSFRJESSA-N 279.767 3.926 30 20 CHED C=C(Br)COC(=O)C[C@@H]1CCc2ccccc21 734631814 SLHBJDNFTNQZQK-LBPRGKRZSA-N 295.176 3.558 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCCc2cccs2)C1 839041553 DMFGTVLAJKJBAP-CHWSQXEVSA-N 277.389 3.696 30 20 CHED N#CC1(CCCCOc2ccc(-n3cncn3)cc2)CCC1 902713286 LJHHPDTXGVHERX-UHFFFAOYSA-N 296.374 3.510 30 20 CHED C=CC[C@H](C(=O)N1C[C@@H](C)OC2(CCC2)C1)c1ccccc1 581727373 AZTKRIDJZVJFKF-WBVHZDCISA-N 299.414 3.516 30 20 CHED COc1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1C 731565089 DPQXPZILDANUNI-MDWZMJQESA-N 298.313 3.801 30 20 CHED CC(=NNc1ccc(Cl)cc1C)C1CCOCC1 905509016 AZAXRTQAYFWWCV-UHFFFAOYSA-N 266.772 3.863 30 20 CHED O=C(C#Cc1cccs1)N1CCC[C@@H](c2ccccc2)C1 833599804 UGPVZGQWXQERLW-MRXNPFEDSA-N 295.407 3.506 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1cccc(C)c1C 734297373 YSERWQRIJJUMOT-UHFFFAOYSA-N 282.343 3.838 30 20 CHED Cc1cccc(C(C)C)c1NC(=O)c1cccc(C#N)n1 589740429 JRHYTNITGQWXFG-UHFFFAOYSA-N 279.343 3.637 30 20 CHED COc1cccc(NN=C(C)CCCc2cccnc2)c1 834934420 SADGCETVNMVXOL-UHFFFAOYSA-N 283.375 3.901 30 20 CHED CCC1(CC)CCN(C(=O)c2cc(C#N)ccc2F)CC1 832473347 BREDOBLKUSYFJZ-UHFFFAOYSA-N 288.366 3.740 30 20 CHED CN(C)c1nccc(NN=C2CCC(C(C)(C)C)CC2)n1 739413013 GTDOUIOJOUBSGE-UHFFFAOYSA-N 289.427 3.547 30 20 CHED C=C[C@@H](CC(=O)Nc1ccccc1C(=O)O)c1ccccc1 833371619 SNUOAFYCXYJQGL-ZDUSSCGKSA-N 295.338 3.683 30 20 CHED Cc1ccc(C)c(NN=Cc2csc([N+](=O)[O-])c2)c1 917540159 IKUJMHIOXZIQIG-UHFFFAOYSA-N 275.333 3.719 30 20 CHED CC(C)c1nc(C#N)c(NN=C/C=C/c2ccc(F)cc2)o1 747753802 MSKBZDMQBNJQEB-OVZMFLLRSA-N 298.321 3.920 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(COC)cc1 836566297 XFHSQSUMXZXJCO-UHFFFAOYSA-N 276.380 3.557 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCc2cc(C#N)ccc2F)o1 742383594 RABDZJNRLQODKY-IAQYHMDHSA-N 284.334 3.704 30 20 CHED C/C(=C\C(=O)OCc1ccc(C#N)cc1)C(C)(C)C 744115818 PGYJIRBAAIASBO-FMIVXFBMSA-N 257.333 3.594 30 20 CHED C#CCOc1ccc(NC(=O)N(CC)C[C@@H](C)CC)cc1 748949457 XHCPNVAZFZDFBL-AWEZNQCLSA-N 288.391 3.599 30 20 CHED CCC(CC)N(CCOC)C(=O)CC1(C#N)CCCCC1 596833834 ORMQMLLBWZAMPM-UHFFFAOYSA-N 294.439 3.514 30 20 CHED CC(C)c1ccc2c(c1)CN(C(=O)CC(C)(C)C#N)CC2 597962856 IACHDUXGGPVFOP-UHFFFAOYSA-N 284.403 3.635 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccsc1 594023179 DRBLGLBFMKGYNL-STQMWFEESA-N 298.411 3.676 30 20 CHED CC(C)(C)OC(=O)N[C@H]1CCCC(=NOC2CCCC2)C1 848406477 DXZOHABDOJDVOO-LBPRGKRZSA-N 296.411 3.769 30 20 CHED Fc1ccc(NN=Cc2ccc(-n3ccnc3)cc2)c(F)c1 917022420 ARCVPNSSXXCWML-UHFFFAOYSA-N 298.296 3.597 30 20 CHED CO[C@](C)(C1CC1)[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 591247025 SLEIKAXHISXKKC-BKTGTZMESA-N 298.430 3.729 30 20 CHED CCn1cc(C(=O)N(CCC#N)CC(C)C)c2ccccc21 745382804 SUELGNYGNMWZTH-UHFFFAOYSA-N 297.402 3.673 30 20 CHED CCCCCCC[S@@](=O)Cc1ccc(Cl)cn1 841729089 VAJIKQIMWWVPJP-QGZVFWFLSA-N 273.829 3.954 30 20 CHED Cc1ccsc1C=NNc1oc(CC(C)C)nc1C#N 745613321 FABJQPSDKFLZIJ-UHFFFAOYSA-N 288.376 3.561 30 20 CHED C=CCC(CC=C)C(=O)NCC(=C)c1ccccc1 672478151 JWAOZXKUDIBMSN-UHFFFAOYSA-N 255.361 3.584 30 20 CHED CSC(C)(C)C(=O)OCCC1(C#N)CCCCC1 849988875 IOBJKJPSXOLFTC-UHFFFAOYSA-N 269.410 3.535 30 20 CHED CC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 593934650 PIAPGXOIFGGRJM-WMLDXEAASA-N 284.403 3.528 30 20 CHED C[C@H](NC(=O)N1CCC2(CCCC2)C1)c1cccc(C#N)c1 743708544 GYLZKAKAPRGHRM-AWEZNQCLSA-N 297.402 3.595 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 749228099 MHOQOYRRVQNFDH-UHFFFAOYSA-N 284.281 3.501 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)Cc1ccco1 740029629 JBEWNAOVMJVGOZ-CQSZACIVSA-N 278.396 3.598 30 20 CHED Fc1ccc(F)c(CNN=Cc2cccc(Cl)c2)c1 915978597 IGSLINHMRMUBFK-UHFFFAOYSA-N 280.705 3.742 30 20 CHED CCO[C@@H]1C[C@@H](/N=C\c2ccccc2O)C1(CC)CC 749843405 CLLMFRMPKCFFSW-JFNRVDGVSA-N 275.392 3.795 30 20 CHED CCOc1ccccc1C=NN[C@H](C)c1ccccc1 920386142 RRHYBVWQIVFSMC-CQSZACIVSA-N 268.360 3.770 30 20 CHED CCC/C(C)=C\C(=O)Oc1ccc(C#N)cc1OCC 920219156 UXNYOHZBOGRYHW-XFXZXTDPSA-N 273.332 3.609 30 20 CHED C=CCCN[C@@H](C)c1cccc(C(F)(F)F)c1O 850501925 HTOPAIYPKPBHBE-VIFPVBQESA-N 259.271 3.638 30 20 CHED CC(CC1CCOCC1)=NNc1cc(F)cc(F)c1 757573690 AHUZAHYJXQNPPW-UHFFFAOYSA-N 268.307 3.569 30 20 CHED CC(C)CCN1CCC(CN[C@H](C)CC(C)(C)C#N)CC1 925232383 KFAJDSHVUJFWAG-MRXNPFEDSA-N 293.499 3.662 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cc([N+](=O)[O-])ccc1Cl 925513797 LWNQAYLGXABEJS-SNVBAGLBSA-N 295.770 3.666 30 20 CHED C#CCCCCNCc1ccc(-c2ccccc2F)o1 758496518 DNYHQLLJJDNBKW-UHFFFAOYSA-N 271.335 3.979 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(C#N)c2)C1 855932926 ULRLKEBLNLPCPO-ZIAGYGMSSA-N 270.376 3.517 30 20 CHED C=CCC1(C(=O)OC/C=C/C(F)(F)F)CCCC1 851291820 WGPPCIUOAWQYIM-WEVVVXLNSA-N 262.271 3.785 30 20 CHED CCN(C)Cc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 924957715 HZEPKIWQXVFAQP-OAHLLOKOSA-N 287.451 3.556 30 20 CHED CCCCCCCCOCC(=O)N1[C@@H](C)CC[C@@H]1C 757794700 DKRRJCVNWYKEDH-GJZGRUSLSA-N 269.429 3.763 30 20 CHED Cc1ccsc1C=NNCc1cccc(Cl)c1 756827455 NKSFISIPJWIXCG-UHFFFAOYSA-N 264.781 3.834 30 20 CHED OC1(c2cccc(F)c2)CCC(=NOCC2CCC2)CC1 853439287 GMUSBVVPFSMCJF-UHFFFAOYSA-N 291.366 3.760 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2sccc2[C@H]1C 929464887 SSKNHVFDTPKTEN-VXGBXAGGSA-N 263.406 3.796 30 20 CHED Cc1cccc(C=NNc2nc(C(F)(F)F)cs2)c1 755906553 ZWBNRCOHELRYFG-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C=CCOc1c(Cl)cc(CN[C@H]2C=CCC2)cc1OC 858188476 FGKGOAPHTSTFRY-ZDUSSCGKSA-N 293.794 3.722 30 20 CHED C=CCN(C(=O)c1cc(C(C)(C)C)oc1C)C1CC1 935223866 CHHQOSNSYXYBFM-UHFFFAOYSA-N 261.365 3.676 30 20 CHED C#CC[C@H](NC(=O)Nc1cccnc1Cl)c1ccccc1 756921996 NCPJCWACEMDRTA-ZDUSSCGKSA-N 299.761 3.621 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N[C@@H](C#N)C(C)(C)C)cc1C 754392698 SHPWEUNRJLVQCY-PTZVLDCSSA-N 284.403 3.680 30 20 CHED C#CCCSc1nc2ccc(C(F)(F)F)cc2[nH]1 751773882 LSJHZASDNOLMGX-UHFFFAOYSA-N 270.279 3.697 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cnc(C(C)(C)C)s1 860709494 POBXSQIEABDKRS-UHFFFAOYSA-N 294.420 3.814 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1ccccc1C 768188050 KMFUIYHUFGUORB-ZIAGYGMSSA-N 262.349 3.580 30 20 CHED C#CCCCN(CC)Cc1ccccc1Br 766896843 XPGUAKMKOPTVCZ-UHFFFAOYSA-N 280.209 3.684 30 20 CHED FC(F)CON=Cc1csc(Cl)c1Cl 761826945 KRQSLLVOAAMWMB-UHFFFAOYSA-N 260.092 3.671 30 20 CHED C#CCCCCCC(=O)Nc1c(C)cccc1OC 767048263 YIOJLPDNSQEJNX-UHFFFAOYSA-N 259.349 3.526 30 20 CHED C#CC1CCN(Cc2csc(C(F)(F)F)c2)CC1 862399758 BLVUQEUKRCXEAV-UHFFFAOYSA-N 273.323 3.612 30 20 CHED Cc1ncc(CN(CCC#N)CC(C)C)n1-c1ccccc1 768153465 GPVFZZDTUINZOZ-UHFFFAOYSA-N 296.418 3.552 30 20 CHED COc1cccc(NN=Cc2cc3cc(OC)ccc3o2)c1 763358661 DQACFLMXEWHOIB-UHFFFAOYSA-N 296.326 3.896 30 20 CHED CC#CCCOC(=O)c1ccccc1CCC(F)(F)F 760290053 NLTVPHOAFWTJIT-UHFFFAOYSA-N 284.277 3.752 30 20 CHED CCCCCCCNC(=O)[C@@H](C)Sc1ccccn1 862358895 YYLDZXUOYIRUQD-CYBMUJFWSA-N 280.437 3.649 30 20 CHED COc1ccc(CNc2cccc3oc(C)nc23)cc1C#N 864013872 BCBONYYDCXRRIK-UHFFFAOYSA-N 293.326 3.629 30 20 CHED CCCCCCCC(=O)N[C@H](C)C[C@H](O)c1ccco1 760190804 RAAPROYCJXWKNF-KGLIPLIRSA-N 281.396 3.568 30 20 CHED FC(F)(F)c1ccc(C=NOCc2cccnc2)s1 761828059 JRQPCYZHXVFZIA-UHFFFAOYSA-N 286.278 3.713 30 20 CHED COc1cc(OC(=O)C[C@@H]2CCCC[C@@H]2C)ccc1C#N 767167452 RYIBJUYRJPIXAP-STQMWFEESA-N 287.359 3.689 30 20 CHED Cc1cc(OC(=O)C(C)(C)c2ccccc2)ccc1C#N 765112173 AMZOPUBAKWTPDE-UHFFFAOYSA-N 279.339 3.750 30 20 CHED CC#CCN(C)C(=O)c1ccc(-c2ccccc2)s1 1117738082 WAEZSVLDIOZYCO-UHFFFAOYSA-N 269.369 3.510 30 20 CHED C#CC[C@@H](N[C@H](C)c1ccc(F)cn1)c1ccccc1 773114378 IZGFHHURPHFSFX-CXAGYDPISA-N 268.335 3.636 30 20 CHED CCN(C)c1ccc(CN(CCC#N)CC(C)C)cc1 773755655 VDPBSFSAIMNMTA-UHFFFAOYSA-N 273.424 3.514 30 20 CHED Cc1cc(CNc2ccc(Cl)nc2)ccc1C#N 775056362 HKNFLDROYZNJJN-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccc(C)s1 773091508 RSWSIRWEFUUDLY-UHFFFAOYSA-N 274.393 3.806 30 20 CHED N#CCCN(Cc1ccc(CF)cc1)Cc1ccco1 777595026 NSUZKMIUNYRGHX-UHFFFAOYSA-N 272.323 3.665 30 20 CHED C#CC[C@@H](NCc1nc2ccccc2o1)c1ccccc1 775397677 ABXBEMLPTLGCGR-OAHLLOKOSA-N 276.339 3.682 30 20 CHED C#CCN(Cc1ccc(C)o1)[C@H]1CCc2ccccc21 772600154 VCVRFSKHEWBWPP-SFHVURJKSA-N 265.356 3.711 30 20 CHED CCCCc1oc2ccccc2c1C=NN[C@H](C)COC 777901563 CQJJHBJEEFHDLJ-CYBMUJFWSA-N 288.391 3.734 30 20 CHED Cc1ncc(C=NN[C@H](Cc2ccccc2)C(C)C)s1 777449755 YUQQVJPRCNSSLY-MRXNPFEDSA-N 287.432 3.642 30 20 CHED C[C@H](/N=C\c1c(O)ccc2ccccc12)[C@H]1CCCOC1 779708437 WSZZIMYFFIWNFU-XWFJENCWSA-N 283.371 3.779 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1cnn(C)c1C 778545746 WUYMRBNCQILOMK-UHFFFAOYSA-N 296.296 3.583 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NOC(C)(C)C)C1 1117703869 HRBYUZKQNPQXSB-GFCCVEGCSA-N 269.385 3.691 30 20 CHED Cc1cc(F)ccc1C(=O)OCc1ccc(CC#N)cc1 776107252 KHTBTNSMCZICOH-UHFFFAOYSA-N 283.302 3.557 30 20 CHED CN(C(=O)OC(C)(C)C)C(C)(C)C=NOC1CCCC1 774601586 DWDZJJHKYMXCFP-UHFFFAOYSA-N 284.400 3.577 30 20 CHED C#CCCCCCC(=O)N[C@@H](CC)c1ccccc1OC 779840707 XGNWHAOYTWVRFE-INIZCTEOSA-N 287.403 3.846 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(N2CCCCC2)c1 778260902 ICIOTCAWBOMDQH-UHFFFAOYSA-N 287.407 3.717 30 20 CHED C[C@@H](C#N)CNN=Cc1sc2ccccc2c1Cl 771104387 SQHOXHMDFJHGHV-VIFPVBQESA-N 277.780 3.638 30 20 CHED c1ccc(NN=C2CCCNc3ccccc32)cc1 774313483 UDWDYNHQHLFZDS-UHFFFAOYSA-N 251.333 3.709 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)cc1 1129494030 ZBGBPSZAHLWWCB-AOIWGVFYSA-N 298.430 3.954 30 20 CHED C#CC[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1 775401613 WNCKYKYUVXAQFV-GOSISDBHSA-N 278.330 3.552 30 20 CHED CC(C)(NCCCC#N)c1ccc(C(F)(F)F)cc1 880384508 ZQSKJVIBFLRIPB-UHFFFAOYSA-N 270.298 3.834 30 20 CHED COc1cc(NN=Cc2cccc(O)c2)ccc1Cl 788472350 SPACAMVYHULZCD-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C=CCCN(C)c1ccc(C(F)(F)F)c(Cl)n1 786083819 RIVQCPGYQHJCAK-UHFFFAOYSA-N 264.678 3.766 30 20 CHED C=CCC[C@H](OC(=O)[C@@H]1CCOC2(CCC2)C1)C1CC1 1122736638 AFSUNPKGBRIVCJ-CABCVRRESA-N 278.392 3.624 30 20 CHED Clc1ccc2cccnc2c1C=NNc1ccccn1 781119895 DAGXQJRLCOQRLK-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CC(C)(C)Oc1cccc(NC(=O)c2ccc(C#N)o2)c1 888556557 HBICXZNLVVRKGP-UHFFFAOYSA-N 284.315 3.581 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(Cl)cc1F 782201775 ADMJTAFJQHLPCY-UHFFFAOYSA-N 283.730 3.966 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N(C)c1ccc(C#N)cc1 1126352924 LKPQDJDARSHAKE-AWEZNQCLSA-N 278.355 3.633 30 20 CHED C=C(C)CCOC(=O)CCC(=O)c1cc(C)sc1C 783392493 HHGCHTQMLIBEPZ-UHFFFAOYSA-N 280.389 3.837 30 20 CHED CCC(=NNc1ccc(Cl)c(OC)c1)C1CCOCC1 788472206 PYURKROWTRBKOI-UHFFFAOYSA-N 296.798 3.953 30 20 CHED COc1cc(Cl)cc(CNc2cccc(C#N)c2)c1O 76274186 KLMKEAQWQQGQLB-UHFFFAOYSA-N 288.734 3.538 30 20 CHED Cc1cn(Cc2ccc(Cl)nc2C(F)(F)F)cc1C#N 786745751 ODLBJMGYHSTKSB-UHFFFAOYSA-N 299.683 3.784 30 20 CHED Cc1nsc(N(C)C(=O)C[C@@H]2CCCC[C@H]2C)c1C#N 891432841 GUKQRVPQXPFTDH-PWSUYJOCSA-N 291.420 3.502 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccc(C(F)(F)F)nn1 783861677 FQXKVPRRQRDIFG-ZJUUUORDSA-N 286.301 3.719 30 20 CHED CCCC(Cc1ccccc1)=NN[C@@H]1CCOC(C)(C)C1 780253529 WTKXESXCVBDVNA-QGZVFWFLSA-N 288.435 3.932 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3cccc(F)c3)cn2c1 789128944 WILGZOMFRSFVSR-SREVYHEPSA-N 280.302 3.678 30 20 CHED N#C[C@@H](NC(=O)Cc1cccc2ccccc12)C1CCCC1 893703165 BRCFJWBMPWJJPB-GOSISDBHSA-N 292.382 3.581 30 20 CHED N#Cc1ccc(CNc2ccnc3cc(Cl)ccc23)nc1 780613160 SSCLXORRJBIEOL-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 783857075 RRLPVPNVGFIQHX-LBPRGKRZSA-N 272.270 3.672 30 20 CHED N#Cc1ccncc1NCc1ccc2ccccc2c1 83432424 WTWNUWRWSZQQNS-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C#C[C@H](NC(=O)Nc1cccc(Cl)c1)C(C)(C)C 702275872 LVUBOCYGOHFCET-LBPRGKRZSA-N 264.756 3.509 30 20 CHED N#CC1(N(C(=O)CCCCc2ccccc2)C2CC2)CCC1 890155918 JMQNIWYLAWJZFP-UHFFFAOYSA-N 296.414 3.837 30 20 CHED C#Cc1cccc(NCc2ccnn2-c2ccccc2C)c1 793080717 JMTAWBQZMHZPIY-UHFFFAOYSA-N 287.366 3.774 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc2c(c1)CCC2 798375648 KYTJQSHCNFOGRR-AWEZNQCLSA-N 274.433 3.816 30 20 CHED COc1cc2c(cc1Cl)C1=CC(=O)CC[C@@]1(CCF)C2 91301759 RYQILFWZLKOHDP-MRXNPFEDSA-N 294.753 3.997 30 20 CHED C[C@H](CCC#N)CN1CCC(c2ccc(C#N)cc2)CC1 897588794 NMRRIINZILWFQN-OAHLLOKOSA-N 281.403 3.678 30 20 CHED O=C(/C=C\c1ccsc1Cl)c1ccnc(F)c1 794719212 NMZUHICTJTWZHP-UPHRSURJSA-N 267.712 3.832 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](CO)c1cccc(F)c1 793541666 SGXRILDOFOFPMX-RHSMWYFYSA-N 279.399 3.974 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CC[C@H](C)SC 799442927 FMKVLWSDTPJXHJ-NSHDSACASA-N 277.389 3.558 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C 796459525 YDBRVGBQSFCIFP-PMPSAXMXSA-N 263.425 3.759 30 20 CHED C=CCC[C@H](NC[C@@H](C)N1CCCCC1)c1ccco1 796703157 SNYMBTHEZUTSII-CVEARBPZSA-N 276.424 3.751 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2C[C@H](c3ccccc3)C2)c1 797785288 YXALOPOVKMLROQ-VJQLNHAHSA-N 281.355 3.766 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CC[C@H]1C1CC1 562040262 XCQKFUSYASREAI-JKSUJKDBSA-N 257.377 3.530 30 20 CHED CC1(CNN=Cc2ncccc2C(F)(F)F)CCCC1 793081908 OQVNQKRSDRLNQJ-UHFFFAOYSA-N 285.313 3.604 30 20 CHED CCN(Cc1ccc(O[C@H](C)C#N)cc1)CC1CCC1 793353094 RGLHBSMXBIYIPX-CQSZACIVSA-N 272.392 3.599 30 20 CHED O=C1/C(=C\c2c(F)ccc(O)c2F)Cc2cc(F)ccc21 794942083 HLHWJQULMOWPOS-CLFYSBASSA-N 290.240 3.632 30 20 CHED CCOc1c(Cl)cccc1CC(=O)OCCCCC#N 791501621 JVDYIUFLVVTDCJ-UHFFFAOYSA-N 295.766 3.518 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2nc(-c3ccccc3)cs2)C1 1206091833 UHCWNXZFWTZXFV-TZMCWYRMSA-N 283.400 3.592 30 20 CHED Cc1ccc(C=NNc2cccc(Cl)n2)cc1F 793164097 RYSVTCPBJAWAGO-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCCCCCCCN1C[C@@H](N2CCCC2)C[C@H]1C 796431373 XKRWQRCULXIIMQ-SJORKVTESA-N 266.473 3.906 30 20 CHED COc1ccccc1CON=Cc1coc2ccccc12 799117653 OJZDFBAFDOWUFB-UHFFFAOYSA-N 281.311 3.992 30 20 CHED C[C@H]1CCC[C@H]1CNCc1ccc(N(C)CCC#N)cc1 798503180 DIDRYHANOMRSLA-RDJZCZTQSA-N 285.435 3.562 30 20 CHED C#Cc1cncc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c1 798279159 IRGVOTCEYMFIOC-GFCCVEGCSA-N 298.773 3.550 30 20 CHED C[C@]1(C=NNc2cccc3cnccc23)CCCS1 792999756 OALCORHVUZCTMG-OAHLLOKOSA-N 271.389 3.918 30 20 CHED CC[C@@H](C)NN=CC(C)(C)CN(C)Cc1ccccc1 790183942 XIMWGAOWRXZLIX-OAHLLOKOSA-N 275.440 3.519 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)C(C)C 798553365 YGRXKAZXLUEDAQ-ROUUACIJSA-N 298.430 3.624 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N(C)[C@@H](C)CC#N 576043048 ZCHWHNMAOJHMSH-KGLIPLIRSA-N 250.386 3.520 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H]1CCCN1Cc1ccccc1 695858742 JGFLDQZQQWUJKT-FUHWJXTLSA-N 299.462 3.569 30 20 CHED CCCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 87833363 OKYDWNOCZPQQID-UHFFFAOYSA-N 272.392 3.579 30 20 CHED Cc1cc(C#N)ccc1CSCC(=O)c1ccccc1 1166434590 WNSNWBOQNVJIDV-UHFFFAOYSA-N 281.380 3.983 30 20 CHED CCCN(c1ccnc(C#N)c1)[C@H](C)c1ccccc1OC 1162286641 WJXWSIYMVUVVIS-CQSZACIVSA-N 295.386 3.939 30 20 CHED C#CCCCCCc1nnc(-c2ccccc2C)o1 1326962605 TUBAHZVIALUUAB-UHFFFAOYSA-N 254.333 3.781 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1Cc2ccc(C)cc2S1 1330459042 IRRBOOSDIVMZJI-OAHLLOKOSA-N 289.444 3.730 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2c(c1)CCC2 1339346840 SYGBBSCONWEZGW-HXUWFJFHSA-N 288.394 3.824 30 20 CHED C#Cc1ccc(N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)nc1 1262690509 CXFUUSHGPYEGKG-SJORKVTESA-N 296.345 3.534 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H]1CCC[C@@H](C)[C@@H]1C 1267053143 PNQIAMIGAXRJKR-TYNCELHUSA-N 287.359 3.548 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](c1ccncc1)C1CC1 1341057076 ICAAMFHICSSRQF-IAGOWNOFSA-N 299.418 3.673 30 20 CHED Cc1ccc(F)c(NC(=O)[C@@H](CC#N)c2ccccc2)c1 1347972685 IXGCBSZLWFGCKM-AWEZNQCLSA-N 282.318 3.770 30 20 CHED CCOc1ccc(CNc2ccc(OCC#N)cc2)c(C)c1 1350584793 WGKMCWUXHACKGC-UHFFFAOYSA-N 296.370 3.908 30 20 CHED C=C1CC(c2noc(-c3ccc(C(F)(F)F)cn3)n2)C1 1353626537 SILJIDYFCVQUHD-UHFFFAOYSA-N 281.237 3.584 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)Cc1ccccc1CC#N 1355940828 WKDXUTTZYDOPJF-MAUKXSAKSA-N 298.430 3.722 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)Cc2ccc(F)cc2)c1 1436704582 CFYYEWKNNNDFQM-CYBMUJFWSA-N 296.345 3.823 30 20 CHED C=CC[C@H]1CCCN(c2nnc([C@@H](C)SC)n2CC)C1 1356427137 BMBCXZPUSIAOQP-OLZOCXBDSA-N 294.468 3.515 30 20 CHED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1C[C@H]1F 1350885941 YJRVSOUHXIDFPO-NWDGAFQWSA-N 286.331 3.583 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)[C@H](C)c1ccsc1 1515324577 XCAYQRVYNZYXSZ-UONOGXRCSA-N 299.395 3.620 30 20 CHED N#Cc1ccc(S[C@@H]2CCCOC2)cc1Br 1515626336 YEPZLYFEMIXHDL-LLVKDONJSA-N 298.205 3.592 30 20 CHED CN(C(=O)c1ccccc1CC#N)c1ccc2cc[nH]c2c1 1449004587 UEGBROOUKPDSSZ-UHFFFAOYSA-N 289.338 3.511 30 20 CHED C[C@H](n1nc(C(F)F)cc1C(F)F)C(F)(F)F 905020746 WBXOMYKECOGSGD-VKHMYHEASA-N 264.144 3.882 30 20 CHED C[C@@H](Nc1cc(C#N)cnn1)c1ccc(Cl)c(Cl)c1 1458371626 ZIZWPKPGABQGMM-MRVPVSSYSA-N 293.157 3.828 30 20 CHED C[C@H](CCC#N)CN[C@@H](CCC(=O)O)CC1CCCCC1 1604130677 RCWRVGFOSCYRAU-ZBFHGGJFSA-N 294.439 3.720 30 20 CHED N#Cc1sccc1C(=O)NCc1csc2ccccc12 1533810232 MLAHBFOGJDQIBA-UHFFFAOYSA-N 298.392 3.764 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(C(=O)O)cs2)ccc1F 1600186753 UZUSMODAAKOFBM-HYXAFXHYSA-N 290.315 3.790 30 20 CHED C=C(CNC(=O)c1ccc(C(C)=O)c(C)c1)c1ccccc1 1535088605 QEXJUSZCVFKBEH-UHFFFAOYSA-N 293.366 3.641 30 20 CHED COc1cc(C#N)ccc1CN(C)c1ccc(C)cc1C 1615210043 ZVAFXFRXCSDGOJ-UHFFFAOYSA-N 280.371 3.820 30 20 CHED C[C@@H](NC(=O)c1ccsc1C#N)c1ccc2c(c1)CCC2 1537526324 ZEBHQPLJHBPOSR-LLVKDONJSA-N 296.395 3.599 30 20 CHED N#Cc1cc(Cl)ccc1CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 1473509928 QXDVHRDVUNNUEZ-MWDDYTRKSA-N 286.806 3.690 30 20 CHED N#Cc1ccsc1NC(=O)NC1(c2ccccc2)CCC1 1476828436 OJSXSZGJHMBLGJ-UHFFFAOYSA-N 297.383 3.821 30 20 CHED CCc1nocc1CSc1cccc(F)c1C#N 1559419114 UFISBNNXLIZSGG-UHFFFAOYSA-N 262.309 3.540 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Nc2ccc(F)cc2C#N)c1 1562451009 MFMZUGYTLPBJOY-UHFFFAOYSA-N 297.333 3.983 30 20 CHED N#CC[C@@H](C(=O)N1CCCC2(CCCC2)C1)c1ccccc1 1638833502 QXGKYRSCQRXJBN-QGZVFWFLSA-N 296.414 3.867 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C(=O)O)c2ccccc12 1573347756 NKTBVYALMHSNFY-UHFFFAOYSA-N 283.327 3.689 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H](Oc2ccc(F)cc2)C1 1648240951 UOJYIICNOIOJGI-ZWKOTPCHSA-N 296.345 3.544 30 20 CHED N#Cc1nc(N(CCc2ccccc2)C2CC2)ccc1Cl 1643219746 JVLVNZLCEBVIDT-UHFFFAOYSA-N 297.789 3.818 30 20 CHED C[C@@H]1C[C@H](CC(=O)N(C2CC2)[C@H](C)C#N)CC(C)(C)C1 1586857085 NOGSKAWWNXRBEZ-MGPQQGTHSA-N 276.424 3.742 30 20 CHED C[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 1665385913 MBTYWQRKQMJCFX-PWSUYJOCSA-N 291.782 3.769 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(F)cc(C#N)c1 1679884798 BATSNUWPECEAGW-ABAIWWIYSA-N 289.354 3.740 30 20 CHED C=CCC[C@H](NCc1ccc(SC)c(Cl)c1)C(=O)O 1776167029 IYKVGIFECKCXFT-LBPRGKRZSA-N 299.823 3.571 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1OC)C1CCCC1 1776050351 JVXXWWNGCSFWBF-UHFFFAOYSA-N 290.363 3.762 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccc(C)cc1F 1776038440 KIFGSTKAZUYDHJ-UHFFFAOYSA-N 286.306 3.668 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1F 135158078 ZDRQICPOGMPWSZ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 5646176 XHBZWCHEMWXMHR-UHFFFAOYSA-N 264.332 3.571 30 20 CHED Cc1cc(C)c(NC(=O)CNc2ccc(C#N)cc2)c(C)c1 15122432 RAISHOPAZGKFOC-UHFFFAOYSA-N 293.370 3.534 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1N1CCCCC1 150764039 UAKQNQYXGZPLFF-UHFFFAOYSA-N 299.418 3.602 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1c(C)noc1C)CO2 150945974 ZCCRJODDJHUSRR-QPEQYQDCSA-N 283.327 3.567 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCc1ccc(C#N)cc1 160877383 PRIWCIYSLSPYSU-ROUUACIJSA-N 298.430 3.918 30 20 CHED CCc1cc(C#N)c(NC(=O)c2c(F)cccc2F)s1 151978327 LJXQIBUPAAMIBD-UHFFFAOYSA-N 292.310 3.713 30 20 CHED CCN(C(=O)[C@@H]1CCC[C@H](C)C1)c1ccc(C#N)cc1 152263259 KFMINZCEMFQWFU-DZGCQCFKSA-N 270.376 3.737 30 20 CHED C=C(C)CN1CCC(N[C@H](C)CCCCC)CC1 152931651 SZDOJOBBLVMZKM-OAHLLOKOSA-N 252.446 3.585 30 20 CHED CCn1nccc1/C=C/C(=O)c1cc2cccc(OC)c2o1 152619464 FCBPXRQVSQBLEU-BQYQJAHWSA-N 296.326 3.554 30 20 CHED CCCNC(=O)c1cccc(NCC(C)(C)CCC#N)c1 157517994 CNIXYDYXNJTTRY-UHFFFAOYSA-N 287.407 3.568 30 20 CHED C=CCN(C)C(=O)Nc1cc(-c2nc(C)co2)ccc1C 157590218 FIGGDGYAPHQDRH-UHFFFAOYSA-N 285.347 3.608 30 20 CHED CCCn1ccc2ccc(NC(=O)c3ccc(C#N)[nH]3)cc21 159368916 IHFHVDLKPNZHAF-UHFFFAOYSA-N 292.342 3.503 30 20 CHED N#Cc1ccc(F)c(CNC2CC3(CCCC3)C2)c1 925479425 ZIHQZHBGZNUIGJ-UHFFFAOYSA-N 258.340 3.510 30 20 CHED Cc1cc(Cl)cc(C(=O)NC2(C#N)CCCCC2)c1 129817601 SZTFHPYKXIZRDO-UHFFFAOYSA-N 276.767 3.605 30 20 CHED C[C@H](NCc1ccc(F)cc1)c1cccc(C#N)c1 37211150 CAIPRMXCQPDPHV-LBPRGKRZSA-N 254.308 3.548 30 20 CHED C[C@@H]1CCCCN1c1ccc(C(F)(F)F)c(C#N)c1 164374844 QDGDTOFPGBPFRD-SNVBAGLBSA-N 268.282 3.956 30 20 CHED C[C@H](CNc1ccc(F)cc1C#N)N(C)Cc1ccccc1 301408645 WTDJWYBJJZLMIJ-CQSZACIVSA-N 297.377 3.630 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2ccc(C#N)c(F)c2)c1 308121978 QXYIUHJMUQNPJQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCOc1ccccc1CNc1cc(C)cc(C#N)c1 308149190 FOXDJUGYXIOGGY-UHFFFAOYSA-N 266.344 3.878 30 20 CHED COc1ccc(CN[C@]2(C)CCCC[C@@H]2C)cc1C#N 308713248 LKOICBJTEOUGHS-SUMWQHHRSA-N 272.392 3.625 30 20 CHED Cc1cc(CNc2cc(F)cc(C#N)c2)ccc1F 600860320 HCOFDZFTYBUDRE-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=CCC(C)(C)CNCc1cc(F)ccc1OC 311134492 DLAMKLSWPMEWST-UHFFFAOYSA-N 251.345 3.526 30 20 CHED N#Cc1ccc(OCc2cnc3ccccc3c2)cc1 312151359 AYLPYHDZNHTDEN-UHFFFAOYSA-N 260.296 3.685 30 20 CHED CC(C)CCO[C@@H]1CCN(CCCCC(C)(C)C#N)C1 409446514 UGFLYKNHOPJKQQ-MRXNPFEDSA-N 280.456 3.843 30 20 CHED C#C[C@H](NC(=O)c1sc2cccc(F)c2c1C)C(C)C 700626656 PLHKIICXAMZBNU-LBPRGKRZSA-N 289.375 3.736 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnc(CC)s1 92261391 CPUWBCQIDJLKFV-UHFFFAOYSA-N 272.417 3.894 30 20 CHED C[C@@H](CNc1ccc(F)cc1C#N)CC(F)(F)F 396976809 SCAGMBIQBBZOPI-MRVPVSSYSA-N 260.234 3.698 30 20 CHED C#CCN(Cc1ccccc1)C[C@@H](O)c1cccc(Cl)c1 781349879 GSISEVFTRKQERX-GOSISDBHSA-N 299.801 3.509 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccccc2)cc1 3313453 YAWYINLTOAQKCO-UHFFFAOYSA-N 264.328 3.556 30 20 CHED C/C(=C/C(=O)N(C)CCC#N)C12CC3CC(CC(C3)C1)C2 109767921 TWTAMKKVKDEGAU-MLPAPPSSSA-N 286.419 3.521 30 20 CHED C[C@H](OC(=O)c1cccs1)c1ccc(C#N)cc1 175782072 ZDKNZOGTXZDFNV-JTQLQIEISA-N 257.314 3.538 30 20 CHED C=C(Br)CN(CCC#N)CC(CC)CC 177032515 KYJLQOZVGWVZJY-UHFFFAOYSA-N 273.218 3.547 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1NCCCCC#N 178640987 NZPTWXRSJJLDAL-LRDDRELGSA-N 260.356 3.733 30 20 CHED C=CCCCC(=O)Nc1cccc(-c2ccnc(C)n2)c1 175262290 HKZQZSISUXBPLE-UHFFFAOYSA-N 281.359 3.747 30 20 CHED C#CCCCN[C@H]1CCc2ccc(OC(F)(F)F)cc21 178062524 PYQRZQOLPZKVMM-AWEZNQCLSA-N 283.293 3.576 30 20 CHED C=C[C@@H](CC(=O)N(C)C[C@H](C)CC)c1ccccc1 179387815 MRZMRDGLRRGEOS-CABCVRRESA-N 259.393 3.851 30 20 CHED C=CCSCc1cccc(SC(=O)N(C)C)c1 176903330 AWTQXMGNUUGBTF-UHFFFAOYSA-N 267.419 3.880 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc2[nH]ccc2c1 112861112 WZRZKOUJHTWBJX-UHFFFAOYSA-N 292.338 3.985 30 20 CHED C=CCCCC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 175425856 LVMNDXJTRGBHHW-AEFFLSMTSA-N 287.403 3.627 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](CC)c1ccc(OC)cc1 109195066 DXNBUXIITZZSHA-CZUORRHYSA-N 292.375 3.671 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](c1ccccc1)C1CCC1 104423918 RCPQDOAHPQSLJI-PBHICJAKSA-N 287.403 3.625 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(Cl)c1C 116996389 IYTPKNRIMAXLOT-SECBINFHSA-N 252.745 3.735 30 20 CHED Cc1nc(NCCC(C)(C)C)c(Cl)cc1C#N 310334228 CGKWLTKOJXAFFW-UHFFFAOYSA-N 251.761 3.763 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc2cc(OC)ccc2c1 116931759 MEJJAUSNQSPTAL-ZDUSSCGKSA-N 298.386 3.612 30 20 CHED CCN(CC)[C@H](CNc1ccc(C#N)cc1)c1ccco1 301091804 LBZXEDJTRZIXGL-MRXNPFEDSA-N 283.375 3.646 30 20 CHED Cc1cc(F)cc2c(N3C[C@H]4CC[C@H]3C4)c(C#N)cnc12 301369776 OYMJVXYVTHEELV-FZMZJTMJSA-N 281.334 3.543 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCN(CCC(C)(C)C)CC1 303665168 FCPNFBAJXDNRJI-INIZCTEOSA-N 299.462 3.673 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccnc2Cl)cc1 171349218 OQGPXZIQGPAVQF-CMDGGOBGSA-N 257.720 3.940 30 20 CHED C=CCN(CCc1ccccc1)c1ncnc2sccc12 65945630 BFRYFEFTKMQUTF-UHFFFAOYSA-N 295.411 3.926 30 20 CHED C[C@H]1CN(c2cccc(F)c2C#N)C[C@H](c2ccccc2)O1 67905031 YSGUQVBMFBTKAU-SCLBCKFNSA-N 296.345 3.664 30 20 CHED N#Cc1ccc(N2CCc3c(Cl)cccc3C2)cc1 301388451 XHMMIYMXQLKNIO-UHFFFAOYSA-N 268.747 3.774 30 20 CHED C#CCCCNC(=O)N1CCCC2(CCCCCC2)C1 174082273 PMTKAIVVLPRKMA-UHFFFAOYSA-N 276.424 3.546 30 20 CHED C=CC[C@@H](C)NC(=O)C(c1ccccc1)c1ccccc1 116854580 MEPPOBIMSZGSFL-OAHLLOKOSA-N 279.383 3.899 30 20 CHED CCC[C@H](C)C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 173915735 YTPPHODUAQWQND-SMDDNHRTSA-N 296.370 3.804 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)c1cc2ccccc2o1 176415259 GVIMVMRSTNSFHW-NWDGAFQWSA-N 257.333 3.617 30 20 CHED COc1ccc([C@@H]2CCCN2c2ccc(C#N)cc2)cc1 301078730 IPRMIKIMOYAOSQ-SFHVURJKSA-N 278.355 3.908 30 20 CHED C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C#N)cc1 37284504 IHFGCHCUKCDRQJ-ZIAGYGMSSA-N 275.355 3.842 30 20 CHED C=CCCSc1nnc(COc2ccc(Cl)cc2)o1 128630575 UVYKBCSRXSSWIV-UHFFFAOYSA-N 296.779 3.970 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccc(C#N)c1 301109592 SUQXMGMGENRVCF-NSHDSACASA-N 292.298 3.511 30 20 CHED CC#CCCCC(=O)Nc1cccc(C(F)F)c1 185400969 CFWYMBFRDWFGHQ-UHFFFAOYSA-N 251.276 3.756 30 20 CHED C=C[C@@H](CC(=O)NC[C@@]1(C)CCCS1)c1ccccc1 127529197 DPOQYONWGKMVGZ-WMLDXEAASA-N 289.444 3.748 30 20 CHED CCOCc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 181476673 NXOVASVXLKERTH-OAHLLOKOSA-N 294.398 3.946 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H](c2ccccc2)C2CC2)C1 185767912 VPMVWFACYSOUFB-JQFCIGGWSA-N 254.377 3.810 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@@H]2CCCC[C@@H]21 183052328 UXDUTNSZALJJHG-KMFMINBZSA-N 297.402 3.909 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)ccc2C)cc1O 213711506 XVSFDHPOGCMZOB-VURMDHGXSA-N 282.339 3.914 30 20 CHED C=CCn1c(SC(C)C)nnc1-c1ccoc1C 72098953 BTFNIYXKQQWZJE-UHFFFAOYSA-N 263.366 3.533 30 20 CHED CC(C)(C)CC(=O)Nc1cccc(C#Cc2ccccn2)c1 71833954 GYIJDWABJQZBCR-UHFFFAOYSA-N 292.382 3.856 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 185259678 NYYXOJLARUMKAD-ZDUSSCGKSA-N 273.376 3.852 30 20 CHED CC#CCCCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 185557538 KPXDZBFCJPCLLC-LJQANCHMSA-N 283.415 3.760 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1cccs1 37748343 JHRRKDLAVPFXGB-CQSZACIVSA-N 256.374 3.861 30 20 CHED Cc1cc(CNc2ccc(CC#N)cc2)ccc1C#N 443977954 JYDRJOYKNBMUNF-UHFFFAOYSA-N 261.328 3.545 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)C1CCCCC1 74501949 KQEUNQAUEVAENR-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED O=C(/C=C/c1csnn1)c1ccc(-c2ccccc2)o1 120132177 XGBSDHLWVWHRGM-VOTSOKGWSA-N 282.324 3.694 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C/c1cccc(F)c1 126232583 WEPZYCPMODGLCZ-CMDGGOBGSA-N 288.366 3.818 30 20 CHED CC#CCCCC(=O)N[C@@]1(c2cccc(C)c2)C[C@H]1CC 501596241 WASFHKDHUUVLQU-APWZRJJASA-N 283.415 3.930 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2SCCc3sccc32)c1 79403557 ORNJLBGZTIKTFV-HNNXBMFYSA-N 299.420 3.699 30 20 CHED N#Cc1ccccc1OCCn1cc(-c2ccccc2)cn1 315891825 MWHAJBQHYKBJJO-UHFFFAOYSA-N 289.338 3.501 30 20 CHED Cc1cc(CSCC[C@H]2CCOC2)ccc1C#N 419546915 ZJJNGJCPHQHZNC-CYBMUJFWSA-N 261.390 3.527 30 20 CHED CCC(=O)Nc1ccc(C)c(NCc2cccc(C#N)c2)c1 78970377 FYGNXXWYOPLBHU-UHFFFAOYSA-N 293.370 3.827 30 20 CHED CCc1ccc(NC(=O)NCC2(C#N)CCC2)cc1Cl 417115716 PNNPYQREGWXCRF-UHFFFAOYSA-N 291.782 3.718 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1OC 460075858 LZHHEPHHHKSQGB-ZDUSSCGKSA-N 274.364 3.578 30 20 CHED C=CCOc1ccccc1CN[C@H]1COCc2ccccc21 418100184 OZFXNXNNXWWQGS-SFHVURJKSA-N 295.382 3.613 30 20 CHED C=CCCCN(C)Cc1cc(Br)ccc1F 605150241 QURGTRGZTGVYPD-UHFFFAOYSA-N 286.188 3.986 30 20 CHED C[C@@H]1CCN(CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 135395666 VTAXRPMCFCPYER-MFKMUULPSA-N 268.282 3.612 30 20 CHED C[C@H]1C[C@@H](C)N(c2ccc(C#N)c(Br)c2)C1 228196624 UBMYKQDORBVEEA-VHSXEESVSA-N 279.181 3.555 30 20 CHED C=C(Br)CN[C@H](C)c1cccc(F)c1F 132403492 QPPCNGMVIZQBCZ-MRVPVSSYSA-N 276.124 3.524 30 20 CHED C[C@@H]1CCC[C@H](CC/N=C(/O)[C@H]2CCCC(O)=N2)C1 328789080 KMWSKKLVJMANIX-JHJVBQTASA-N 266.385 3.668 30 20 CHED CCn1c(-c2cc(F)ccc2F)nc2cc(C#N)ccc21 86635743 SCPJDZAWAJFFGH-UHFFFAOYSA-N 283.281 3.873 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 507208947 RHKRRQCXEUNLMQ-GOSISDBHSA-N 276.383 3.856 30 20 CHED CC1(C)C(C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1(C)C 80282263 ZOMIMIAWNBGFRD-SNVBAGLBSA-N 282.343 3.686 30 20 CHED N#CCSCC(=O)Oc1ccc(Cl)c2ccccc12 41751899 AUEHXXBRKRLANQ-UHFFFAOYSA-N 291.759 3.655 30 20 CHED CCc1noc(C)c1N=C(O)N1[C@H]2CC[C@H]1c1ccccc12 328875211 ZJUWILONIOOHQR-GJZGRUSLSA-N 297.358 3.983 30 20 CHED O/C(=N/[C@@H]1CCCc2occc21)c1ccnc(C2CC2)c1 329318823 FVYFPAFZGQRFFI-CQSZACIVSA-N 282.343 3.934 30 20 CHED C#Cc1cccc(NC(=O)N(CC=C)Cc2cccs2)c1 43985331 CGOOFYKWLOWCRJ-UHFFFAOYSA-N 296.395 3.950 30 20 CHED COc1ccc(C#N)cc1NC[C@H]1C[C@@H]1c1ccccc1 500985457 YBKOZYCYNRVMDB-HZPDHXFCSA-N 278.355 3.782 30 20 CHED C=CCCCCNC(=O)c1ccccc1Oc1ccncc1 509312208 CIHQNEXSYCNLTK-UHFFFAOYSA-N 296.370 3.960 30 20 CHED Cc1c(NC(=O)[C@@]2(C)CCC[C@H]2C)ccc(C#N)c1C#N 421557272 LEWDITBIUSNJPW-DIFFPNOSSA-N 281.359 3.503 30 20 CHED CCc1noc(CC)c1CNc1ccc(Cl)cc1C#N 88742065 KRJLEESGMJOYNA-UHFFFAOYSA-N 289.766 3.937 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cnn(C(C)C)c1 191585387 PSLJPJGMNQDCHV-UHFFFAOYSA-N 289.423 3.673 30 20 CHED CC(C)C1(C)CCN(Cc2cc(C#N)cs2)CC1 428476162 QCUZZNFOKHQXSB-UHFFFAOYSA-N 262.422 3.878 30 20 CHED C=C(C)CNC(=O)Nc1cnn(-c2ccccc2)c1C(C)C 192336804 AVNRHMINRZMIEP-UHFFFAOYSA-N 298.390 3.693 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1C#N 132403522 BKBNIYJQCGQRQY-WEVVVXLNSA-N 277.323 3.771 30 20 CHED C[C@H](N[C@H](C)CCc1ccc(O)cc1)c1cccc(C#N)c1 193021177 ADTNCKRERHSQRP-CABCVRRESA-N 294.398 3.936 30 20 CHED C[C@H](NC(=O)N(C)Cc1cccs1)c1ccc(C#N)cc1 47051715 LCDNMYWLEHMYGR-LBPRGKRZSA-N 299.399 3.522 30 20 CHED OC1=NC2(CCC2)[C@@H](/N=C(/O)c2cccc3c2CCC3)CC1 328727902 DMUFDDLWBXWWFQ-HNNXBMFYSA-N 298.386 3.522 30 20 CHED CC(C)c1noc([C@H](C)Oc2ccc(C#N)c(Cl)c2)n1 190277841 PPYXDICDWHXDAX-VIFPVBQESA-N 291.738 3.858 30 20 CHED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c(Br)c1 381538883 GVSQGONGUNSFQX-GHMZBOCLSA-N 279.181 3.862 30 20 CHED C[C@@H](NC(=O)N(C)Cc1cccs1)c1ccc(C#N)cc1 47051716 LCDNMYWLEHMYGR-GFCCVEGCSA-N 299.399 3.522 30 20 CHED C[C@H](/N=C(/O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccccn1 329723519 BITVXKBINTUPEQ-BYNSBNAKSA-N 287.407 3.615 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1(C)CCC1 427698086 XFTDZMUNEKNHOM-UHFFFAOYSA-N 261.340 3.531 30 20 CHED C=CCC[C@H](CC)NCC(=O)Nc1ccc(C)cc1Cl 425371350 QARPUCRHPUWMCO-ZDUSSCGKSA-N 294.826 3.921 30 20 CHED CCN(CCCC(C)(C)C#N)Cc1cccs1 87608554 JIMWDIFSHNWTNS-UHFFFAOYSA-N 250.411 3.900 30 20 CHED CC(C)C1(CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 425472258 HCAOGSXKCQXESA-AWEZNQCLSA-N 299.418 3.697 30 20 CHED C=CCCCCCN1CC[C@H](c2ccccc2)S1(=O)=O 427512049 QGYCQYXDNWNLIB-MRXNPFEDSA-N 293.432 3.510 30 20 CHED Cc1nc2ccc(C(=O)N(CC#N)C3CCCC3)cc2s1 334877276 KWUJWZAKKPCXFP-UHFFFAOYSA-N 299.399 3.513 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 424720684 ZLMXHVORPAYSBE-CQSZACIVSA-N 297.402 3.652 30 20 CHED C[C@@H]1OCC[C@H]1Nc1ccc(Oc2ccccc2)c(C#N)c1 428412040 VCMJFKAMSXYEGW-SUMWQHHRSA-N 294.354 3.940 30 20 CHED C=CC[C@@H](C)[C@H](C)NCC1(c2cccc(OC)c2)CC1 519591943 KJZMSKHDEKTEGP-CABCVRRESA-N 273.420 3.917 30 20 CHED C=CC1CCN(C(=O)Nc2cc(C)cc3cccnc23)CC1 92147375 QCNGNXOMSOAWAY-UHFFFAOYSA-N 295.386 3.973 30 20 CHED CC(C)[C@H](COCc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 424330476 QSLWPLSNLXEVLK-KSZLIROESA-N 286.419 3.510 30 20 CHED N#CCC1CCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)CC1 336202653 CUBLQLOZLAQYQQ-ZWKOTPCHSA-N 296.414 3.723 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(C(F)F)cc2)n1 338862922 SHUNSHVIYZLPIW-NSHDSACASA-N 292.310 3.879 30 20 CHED C[C@@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 92762487 PKORZMQBUHWTOF-HZPDHXFCSA-N 285.435 3.657 30 20 CHED CC(C)N(C(=O)c1ncc(C#N)cc1Cl)c1ccccc1 334661231 GHDWMZWCCUCTNF-UHFFFAOYSA-N 299.761 3.662 30 20 CHED C=CCC[C@H](NCCN1CCCC[C@H]1CC)C1CC1 438986737 RIQOJNQXCMZEEC-SJORKVTESA-N 264.457 3.585 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@H](c1ccccc1)C(C)C 435742255 MRIWRDAUBBYIRA-FHWLQOOXSA-N 287.447 3.997 30 20 CHED C=C(C)CNC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 430993883 PZHJHEHLENDFMW-DLBZAZTESA-N 280.371 3.571 30 20 CHED C=CCC1(NC(=O)c2cc(F)ccc2F)CCCC1 619106509 RCYRGNAQFQLWNA-UHFFFAOYSA-N 265.303 3.584 30 20 CHED CC[C@@H]1CCC[C@H](/N=C(/O)N[C@@H]2CCOC3(CCC3)C2)C1 330222200 RQVCBMQMXHIAPN-QLFBSQMISA-N 294.439 3.561 30 20 CHED C=CCN(C)C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C 430328240 NMASSLOVZPXMRG-CJNGLKHVSA-N 272.392 3.528 30 20 CHED CCOc1ccc2c(c1)CCN(c1ccc(C#N)cc1F)C2 433517351 BNAYQGPZAOIOHR-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CCCCOc1cc(CN(C)[C@H](C)CC#N)ccc1OC 93090725 AOIFSJBMYWMZIM-CQSZACIVSA-N 290.407 3.608 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(Cl)cc1F 435739227 FPAVLTBKTWRPAW-WFASDCNBSA-N 283.774 3.550 30 20 CHED CCCC(C#N)(CCC)NC(=O)C1CC2(CCC2)C1 522001139 AITVZFICDGNKJQ-UHFFFAOYSA-N 262.397 3.545 30 20 CHED Cc1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)no1 346792559 INQHUZINFLGLER-UHFFFAOYSA-N 283.375 3.513 30 20 CHED CC(C)CN(C(=O)[C@@H]1C[C@H]1C1CC1)c1ccc(C#N)cc1 433854324 OBSPGLBOLOKDBL-DLBZAZTESA-N 282.387 3.593 30 20 CHED C=CCCCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C 432022288 XYMGYSLKKOBJJC-UHFFFAOYSA-N 292.398 3.831 30 20 CHED C=CCOc1cccc(NC(=O)N(CC)CC2CCC2)c1 431979029 BYXLWBLXZXEUBO-UHFFFAOYSA-N 288.391 3.905 30 20 CHED Cc1ccc(F)cc1CSc1ccc(C#N)cn1 437622008 QUMJNHGSFLSJAD-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(F)c(Cl)c1 537230408 ULJISLONDLPJDS-JTQLQIEISA-N 269.747 3.954 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(F)c(F)c(F)c1 439579748 IPQMWDUVCVYDJN-QMMMGPOBSA-N 272.270 3.580 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnn(CCC(C)C)c1C 439461491 LETJSATZKSIUQQ-AWEZNQCLSA-N 292.427 3.714 30 20 CHED N#Cc1ccccc1CNc1ccc(-c2cncnc2)cc1 344604244 RRZASHGTDVZUCS-UHFFFAOYSA-N 286.338 3.627 30 20 CHED Cc1ccc(C#N)cc1OCc1cccc2c1CCOC2 600860734 HSDAGEBOSFMMRN-UHFFFAOYSA-N 279.339 3.518 30 20 CHED C[C@H](NC(C)(C)CNC[C@H](C)CCC#N)c1ccccc1 602545391 NMEWPRPGTMQUGM-CVEARBPZSA-N 287.451 3.645 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C(C1CCC1)C1CCC1 342096444 ZTSLHKFUFGGZQR-UHFFFAOYSA-N 290.451 3.991 30 20 CHED CC(C)c1cccc(N(CCO)C[C@H](C)CCC#N)c1 602701026 YLQXONFRDARSDP-OAHLLOKOSA-N 274.408 3.549 30 20 CHED Cc1nc2ccccc2nc1COc1ccc(C#N)c(F)c1 521803513 HELYQSZTXASUDB-UHFFFAOYSA-N 293.301 3.528 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1ccc(Cl)nc1 255162693 AGVQRJBRGUYIQN-KTAJNNJTSA-N 279.673 3.909 30 20 CHED Cn1cc(/C=C\C(=O)c2cccc(F)c2)c(C(C)(C)C)n1 255514565 PMNPYPGQFAOLOQ-HJWRWDBZSA-N 286.350 3.753 30 20 CHED N#Cc1csc(/C=C\C(=O)c2ccc(F)cc2)c1 255709973 ZNAQNYZRQHJGIR-WAYWQWQTSA-N 257.289 3.655 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 601284020 CPMFVHYYMQJMQN-RKTXRCNFSA-N 254.377 3.605 30 20 CHED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)CCCC#N 602222402 LBCCLCRAKUPHDL-UHFFFAOYSA-N 284.281 3.955 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCCC[C@@H]1CCC)OCC 533716152 CYAVVGHYLJFUJX-JYJNAYRXSA-N 281.440 3.833 30 20 CHED C=CCOCCCC(=O)N1CCc2ccccc2[C@@H]1CC 608135749 MNZWQQMBZNTLHM-KRWDZBQOSA-N 287.403 3.505 30 20 CHED C=CC1CCN(Cc2cc3ccccc3nc2OC)CC1 537628264 YIBZRSQNYPQSHY-UHFFFAOYSA-N 282.387 3.641 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1nc(C2CCCCC2)no1 602643776 KVLUXYKGTPBGIV-CHWSQXEVSA-N 290.411 3.708 30 20 CHED C[C@H](C#N)CN(C)[C@H](C)c1ccc(Br)cc1 264761756 DIXOEXDAHLFKJS-GHMZBOCLSA-N 281.197 3.602 30 20 CHED CC[C@H]1CN(Cc2ccc(C#N)cc2F)c2ccccc2O1 441362452 YSXGVGNVCURARD-HNNXBMFYSA-N 296.345 3.875 30 20 CHED CCCCCn1cc(CN[C@@H]2CCC[C@@H](C#N)C2)c(C)n1 447589315 XMORZFFEJIGKQV-NVXWUHKLSA-N 288.439 3.554 30 20 CHED CC[C@H](NC[C@@H](C)N1CCC(C)CC1)c1ccc(C#N)cc1 447543959 UKHDWRRLBQMSCK-APWZRJJASA-N 299.462 3.719 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)C1CCC(C)(C)CC1 445707865 SWAOSUINANSBSI-KRWDZBQOSA-N 281.440 3.642 30 20 CHED N#Cc1ncccc1NCC1(Sc2ccccc2)CC1 357233388 LXFGQZAWCPPRLF-UHFFFAOYSA-N 281.384 3.690 30 20 CHED Cc1cccc(N[C@@H]2CCc3cc(C#N)ccc32)c1[N+](=O)[O-] 618693958 VEGYNZVUJHEZCS-OAHLLOKOSA-N 293.326 3.874 30 20 CHED C=CCC[C@H](C(=O)NCCC(C)(C)F)c1ccccc1 618410654 JMUHAWFWVUASEV-HNNXBMFYSA-N 277.383 3.991 30 20 CHED C=CCN(C(=O)c1ccc(N(C)CCCC)cc1)C1CC1 357945587 QLXDFFCWLZWONS-UHFFFAOYSA-N 286.419 3.714 30 20 CHED CCN(CC1CCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 353991998 XVJICSLBCREGHC-KRWDZBQOSA-N 299.418 3.863 30 20 CHED C=CCCC(=O)N1CCC(Oc2cc(C)ccc2C)CC1 263965141 GBSJADNMRRATEK-UHFFFAOYSA-N 287.403 3.639 30 20 CHED C=CCN(Cc1nc(-c2ccccc2)cs1)C1CC1 350273156 ZKUWMQGSVKNUOI-UHFFFAOYSA-N 270.401 3.961 30 20 CHED C=CC(C)(C)CNC1CCN([C@@H]2CCC[C@@H](C)C2)CC1 449487353 YHKFGXYEKLOQDP-NVXWUHKLSA-N 278.484 3.831 30 20 CHED CC1(C#N)CCC(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)CC1 449100467 RCDKGAQZCQKMSR-NVGVLRTRSA-N 272.436 3.873 30 20 CHED C=CC(C)(C)CN[C@H]1CCC[C@@H](CCCC(=O)OC)C1 449483409 AHAARCJSCXRMQK-GJZGRUSLSA-N 281.440 3.690 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(c2ccccc2F)CC1 538334268 SLNZVNHTHDISPY-CYBMUJFWSA-N 275.367 3.718 30 20 CHED C[C@@H](ON=C1CCC1)c1ncc(-c2ccccc2)o1 267051523 FIWBOPXWDMOZCY-LLVKDONJSA-N 256.305 3.959 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(O)cc1Cl 616941043 PBVJJPHAULEROB-UHFFFAOYSA-N 297.782 3.747 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCc2csc(C)n2)C1 617782297 BVWXJBOKJGULCT-CQSZACIVSA-N 292.448 3.589 30 20 CHED C=CCC[C@H](NCc1ccccc1N(C)C)C1CC1 539071427 HPJMDDBAIZPOIH-INIZCTEOSA-N 258.409 3.587 30 20 CHED C=CCCN1CCC(CCN(CC)CC(C)C)CC1 536888276 ZQKLHOMUZVQLFA-UHFFFAOYSA-N 266.473 3.643 30 20 CHED C=CCC[C@H](NC(=O)N(C)Cc1ccon1)c1ccccc1 269352298 NSIVFDSTIYIDGW-INIZCTEOSA-N 299.374 3.524 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)s1)c1cccs1 362908629 HOIWUOHSXSNGSP-JTQLQIEISA-N 276.386 3.562 30 20 CHED Cc1ccc(-c2cnn(CC3(C#N)CCC3)c2)cc1 450844618 LOIDTQXHHAIMRB-UHFFFAOYSA-N 251.333 3.552 30 20 CHED C=CCC[C@H](NC(=O)N=c1[nH]oc(C)c1C)c1ccccc1 455680250 ZSFBANCBPAHQHY-HNNXBMFYSA-N 299.374 3.542 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 459727568 HENGBTCRTMYHLJ-GHMZBOCLSA-N 262.319 3.637 30 20 CHED C=C(C)CCNC(=O)c1ccc(SC2CC2)cc1 452720900 YDQMUHOFAFWBHA-UHFFFAOYSA-N 261.390 3.637 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc2[nH]ccc2cc1C 455216462 CMQOYVNIWSECLB-UHFFFAOYSA-N 271.364 3.810 30 20 CHED C=C(C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 453323687 SELBKJFMMHLJQV-HNNXBMFYSA-N 260.337 3.528 30 20 CHED C=CCCc1noc(-c2ccc3[nH]c(C)c(C)c3c2)n1 453248283 PPKCYGGJXBOMFY-UHFFFAOYSA-N 267.332 3.953 30 20 CHED C[C@@H]1CCCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 456077568 ZIEXMBKUMKVCRB-OAHLLOKOSA-N 298.430 3.776 30 20 CHED C[C@H](NC1(c2ccccc2)CC1)c1cccc(C#N)c1 271934980 ABCYVSKDSJLNMV-AWEZNQCLSA-N 262.356 3.898 30 20 CHED Cc1cc(F)cc2c(N3CCC[C@H]3C)c(C#N)cnc12 361283426 YPVPIMIYZQJYKD-LLVKDONJSA-N 269.323 3.543 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 279460270 CPLDFVBQJASDBV-DOTOQJQBSA-N 287.378 3.772 30 20 CHED N#CCc1ccc(CSc2ccccc2C#N)cc1 542214292 OJSNLAZTSDBQNA-UHFFFAOYSA-N 264.353 3.917 30 20 CHED N#C[C@H]1CC[C@@H](NC2(Cc3cccc(Cl)c3)CC2)C1 453364160 LRGJNZKJRSYPNO-DZGCQCFKSA-N 274.795 3.697 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H](C(C)(C)C)CC1 549768835 LOWYCTZMLXMTOJ-CYBMUJFWSA-N 264.413 3.601 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N1CCC(CC#N)CC1 543831554 CYSNVMLHFVGRNI-OAHLLOKOSA-N 284.403 3.641 30 20 CHED C=CCC[C@H](C)NCc1ccc(OC(C)(C)C)nc1 541739947 GXLWEFUUCHWVTG-ZDUSSCGKSA-N 262.397 3.703 30 20 CHED CCO[C@@H]1C[C@@H](NCc2ccc(CC#N)cc2)C12CCCC2 450962661 CFMMWPOTRIBFPO-QZTJIDSGSA-N 298.430 3.580 30 20 CHED CCc1cccc(N(C)C(=O)[C@]2(C#N)CC23CCCC3)c1 457322818 FNSAIRHGVHJSQV-GOSISDBHSA-N 282.387 3.686 30 20 CHED C=CCCCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 459672176 XOENJPPIDVJPSX-ZDUSSCGKSA-N 291.357 3.634 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2cccc(OC)c2o1 620863520 YHNIUKMTVPFZMR-UHFFFAOYSA-N 287.359 3.916 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(NC)cc2)C1 625924236 INXKFQYDHYGFDI-ZDUSSCGKSA-N 273.380 3.548 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1csc2ccccc12 274313644 ITYYJVCYSGWBSX-INIZCTEOSA-N 286.400 3.959 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CC[C@@H]1CCCO1 279627017 ZEWNHBRHOBGGRP-KRWDZBQOSA-N 287.403 3.551 30 20 CHED C#CCCCCNC(=O)CCc1ccc(C)c(Cl)c1 700578035 LXXZXDLFXAVHDI-UHFFFAOYSA-N 277.795 3.501 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1cccc(Nc2ccccc2)c1 469657330 ASRFURQEQHMHOQ-GOSISDBHSA-N 296.370 3.696 30 20 CHED Cc1ccnc(N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1C#N 542210346 OGEZBCRPWVZIKF-RDJZCZTQSA-N 291.398 3.719 30 20 CHED C=CCCN(C)C(=O)C1c2ccccc2Oc2ccccc21 468193148 RQWBJYXXBCZWMR-UHFFFAOYSA-N 293.366 3.959 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cccc(NC(=O)OC)c1 287315702 FFNPCHZDJXLSNU-STQMWFEESA-N 276.380 3.555 30 20 CHED Cc1ccc(SCC(=O)N(C)c2ccc(C#N)cc2)cc1 461536654 SAXRZWBKXJELGU-UHFFFAOYSA-N 296.395 3.622 30 20 CHED C=CCCC(C)(C)NC(=O)c1nc(C(C)C)oc1C 620856813 AVMRUMGWPRUQDC-UHFFFAOYSA-N 264.369 3.581 30 20 CHED CC#CCOc1ccc(NC(=O)C2CCCCC2)cc1 464088192 PLZMJWQSICFXTA-UHFFFAOYSA-N 271.360 3.608 30 20 CHED C=CCC[C@@H](Nc1ccc2ccn(C)c(=O)c2c1)C1CC1 556611363 MWPPVRWAADFAAM-QGZVFWFLSA-N 282.387 3.695 30 20 CHED C=CCOc1cccc(CN(CC)Cc2ccncc2)c1 289921490 VSAVOTUFRVUZNC-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(F)cc1C 281220175 DAURTBVOVXXHSA-LBPRGKRZSA-N 250.317 3.610 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2C(F)(F)F)CCCCC1 634506612 AIRNTIXHJQOFPB-GHMZBOCLSA-N 275.314 3.580 30 20 CHED C[C@H](N[C@@H]1CCCC12CCOCC2)c1cccc(C#N)c1 282040761 LMJFCKDLDZXMAG-WMLDXEAASA-N 284.403 3.558 30 20 CHED C[C@@H](C#N)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 469556507 NPJKZMSHBWINNH-WFASDCNBSA-N 290.794 3.943 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@@H]2CCC[C@H](OC)C2)c1 280498535 KUGJKQVWBSBHNP-AEFFLSMTSA-N 299.414 3.616 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC2(CCSCC2)CC1 633940618 UVHBODVARBZXQH-HNNXBMFYSA-N 281.465 3.725 30 20 CHED C#CCCCCNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 286933971 GXNMMENUAONOJT-WBVHZDCISA-N 284.403 3.583 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 294553696 WBNAKLKKCVHSLV-DZGCQCFKSA-N 256.349 3.517 30 20 CHED CC#CCCCC(=O)Nc1cc(C)c(OC)cc1Cl 290256887 YLLIXWPANLNGCK-UHFFFAOYSA-N 279.767 3.789 30 20 CHED CCC[C@H]1CCc2nc(NC(=O)C(C)(C)C#N)sc2C1 299501644 KTZHZFFPIAVHOP-JTQLQIEISA-N 291.420 3.536 30 20 CHED CC(C)(C)c1ncc(/C=C2/Cc3ccccc3C2=O)cn1 806565408 NFHHTVNUHYHGAR-ZSOIEALJSA-N 278.355 3.597 30 20 CHED N#CCCCC(=O)NCC(c1ccccc1)c1ccccc1 290902762 FGXNPVWNPDZYCX-UHFFFAOYSA-N 292.382 3.629 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ncccc1C 470649283 RWUIFGPMVKDORE-UHFFFAOYSA-N 280.371 3.609 30 20 CHED C=C(C)Cn1c(N(C)CC(C)(C)C)nnc1C(C)(C)C 567294628 XBSXOJXKLPKFDA-UHFFFAOYSA-N 278.444 3.634 30 20 CHED C#CCCCc1nc(C(C)(C)Cc2ccccc2)no1 809487179 LPGSPLVWOLTHIZ-UHFFFAOYSA-N 268.360 3.546 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)Cc2ccccc2O1 292337271 GMEOUFDLVMBILT-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C=CCCCCCCNCc1ccc(N2CCCC2)nc1 808418699 BDEOTPSTPJXOBU-UHFFFAOYSA-N 287.451 3.908 30 20 CHED O=C1/C(=C\c2cccc(F)c2)C[C@@H](C(=O)O)c2ccccc21 806559503 BOOLMAZGQVIWDU-IYCSXQJISA-N 296.297 3.664 30 20 CHED Clc1cccc(C2CC(=NN[C@H]3CCSC3)C2)c1 808004039 CKNAMVFYEAYLHY-YUZLPWPTSA-N 280.824 3.669 30 20 CHED C=C(C)[C@H](NC[C@H]1CCCOC1)c1ccc(F)c(F)c1 479409953 KUWNZDVHXHHFJY-WBMJQRKESA-N 281.346 3.598 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1snc2ccccc12 640249712 IWPUMQQXCQACOB-NSHDSACASA-N 287.388 3.869 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2nc(Cl)c(C#N)s2)o1 804359138 FQCAUUXVFSOJNO-IONNQARKSA-N 293.779 3.997 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)S[C@H](CC)CCC 477077003 MIRCDDGUCYKYEK-UONOGXRCSA-N 269.454 3.887 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCN(c2ccccc2F)C1 488740863 XZUBNXNPQKITOP-LBPRGKRZSA-N 299.324 3.527 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 565364709 DONCPKRCDANUNZ-ATLSCFEFSA-N 298.430 3.700 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=Cc1cncn1C(C)C 819809586 KMJZVZNQJKWLRO-GOSISDBHSA-N 298.434 3.655 30 20 CHED C[C@@H](NN=C1CCC(C(F)F)CC1)c1ccncc1 819815772 CSQYKTQHYHNLCW-RWANSRKNSA-N 267.323 3.544 30 20 CHED C#C[C@H](NC(=O)N1CC2(CCC2)[C@H]1c1ccccc1)C(C)C 814389419 HSCIUOMEFNVPSE-DLBZAZTESA-N 296.414 3.581 30 20 CHED C=CC[C@H](C(=O)NCC#Cc1ccccc1)c1ccccc1 487800318 MJTAOXYKKRMFFZ-IBGZPJMESA-N 289.378 3.514 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)C(C)(F)F)n1 815970809 KJACDAYTDMBOBU-RKDXNWHRSA-N 286.347 3.734 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCCC[C@@H]1C 651793127 ZTHHZUBDWDSHEH-JJXSEGSLSA-N 251.414 3.526 30 20 CHED Fc1ccc(CNN=C2CC[C@@H]2C2CCC2)cc1F 814809023 XBRBKQALBGOAQB-GFCCVEGCSA-N 264.319 3.621 30 20 CHED Cc1ccc(F)c(NN=Cc2cnc(C(C)(C)C)nc2)c1 814872319 KGHGSKSACRVLII-UHFFFAOYSA-N 286.354 3.668 30 20 CHED CC(C)c1ccc2occ(C(=O)N[C@@]3(C#N)CC3(C)C)c2c1 484903774 AEHSGCRGSMSOIV-GOSISDBHSA-N 296.370 3.978 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCC[C@H](F)C1 573812649 ADPBZIHHARYPNP-AWEZNQCLSA-N 276.355 3.771 30 20 CHED C[C@@H](NN=Cc1conc1Cc1ccccc1)C(C)(C)C 814937367 DGYQVQMOAYTIHK-CYBMUJFWSA-N 285.391 3.624 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCCSC2)cc1Cl 484807388 MDWWLQHGYWUPQG-CYBMUJFWSA-N 297.851 3.890 30 20 CHED C=CCn1cccc1-c1nc(Cc2ccc(F)cc2C)no1 573405372 BPAPIRFFJVSENC-UHFFFAOYSA-N 297.333 3.762 30 20 CHED Br/C(C=NOCC1CC1)=C\c1ccccc1 814243315 PXHHLWVEBGYEAE-ZRTDDGTKSA-N 280.165 3.835 30 20 CHED N#Cc1ncccc1N1CCC(c2cccc(Cl)c2)CC1 573618843 ZILSPJZJIBJIGC-UHFFFAOYSA-N 297.789 3.991 30 20 CHED CC(C)CN(CCC#N)C[C@H](O)c1cccc2ccccc12 815052319 LAEVUXAPEWMFEU-IBGZPJMESA-N 296.414 3.745 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)c1ccc(Cl)cc1 488572566 JKKDOTUKLBXBLV-GFCCVEGCSA-N 288.778 3.819 30 20 CHED COCC(=NOCCC1CC1)c1cccc(Cl)c1F 814941823 VTRUREYZEAZJIV-UHFFFAOYSA-N 285.746 3.646 30 20 CHED CC(=NNC1CCCC1)c1ccc(N2CCCCC2)cc1 727652493 PRZDLKXXALYMIS-UHFFFAOYSA-N 285.435 3.933 30 20 CHED C[C@@H]1CCC[C@@H](Cn2nc(C#N)c3ccccc32)C1 484480667 QPUZTGPIFGSAMV-CHWSQXEVSA-N 253.349 3.734 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 816011555 SEEAPLHNYOQLPY-QMMMGPOBSA-N 287.331 3.836 30 20 CHED N#Cc1ccc(C(=O)NCCCCCc2ccccc2)s1 487324838 PTKGMLYXSQTHFY-UHFFFAOYSA-N 298.411 3.763 30 20 CHED C=C(C)COc1cccc(NCc2cnn(C)c2Cl)c1 815130519 KNRASBDVUOKDAP-UHFFFAOYSA-N 291.782 3.641 30 20 CHED CC1(C)C[C@H](NN=C2CC[C@@H](c3ccccc3)C2)CCO1 814907879 BVFKQAXRVJCLOP-NVXWUHKLSA-N 286.419 3.857 30 20 CHED N#CCCNc1cc(Cl)ccc1OC1CCCC1 570794876 FHNSGFZGFQQSNP-UHFFFAOYSA-N 264.756 3.987 30 20 CHED Cc1cc(C=NNCCCc2ccccc2)cc(C)c1O 729145710 AZWYZOBAEZSMGP-UHFFFAOYSA-N 282.387 3.565 30 20 CHED C=CCCCCN[C@@H](C)[C@@H]1OCCc2sccc21 578293487 ZPTBEANAYJILKX-WFASDCNBSA-N 265.422 3.696 30 20 CHED C=CCCn1cc(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)nn1 653766545 IIQBTLLXAVSJBK-JKSUJKDBSA-N 290.455 3.501 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 726532409 ILPZUBUUMFJLDB-AWEZNQCLSA-N 283.375 3.713 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1csc(C2CC2)n1 821452359 XOQMLWZFZIJEDY-UHFFFAOYSA-N 265.378 3.666 30 20 CHED C[C@H](NC(=O)/C=C\c1cccc(F)c1)c1ccc(C#N)cc1 491094750 YENGSVQTJXOTOF-SZNGSJQDSA-N 294.329 3.588 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC1(C)C 491215621 DDURKKGAUPYNMM-INIZCTEOSA-N 299.418 3.524 30 20 CHED N#CCCCCCC(=O)N(c1ccccn1)C1CCCC1 588946982 SDBOVIRDWFWUJX-UHFFFAOYSA-N 285.391 3.831 30 20 CHED CN(C(=O)c1cccc(C(C)(C)C)c1)C1(C#N)CCC1 581615798 TWGLYZQFNZBTDQ-UHFFFAOYSA-N 270.376 3.502 30 20 CHED C=CCCC[C@@H](NCc1c(Cl)cccc1CC)C(=O)O 900069447 ZLYVSEHRMXLQFB-OAHLLOKOSA-N 295.810 3.802 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCCC(F)(F)C1 664478366 SGMLOHWAAFDNPD-LLVKDONJSA-N 274.355 3.608 30 20 CHED CC(=NNc1ncncc1Cl)[C@H]1CCCC[C@H]1C 834972233 KNCCVISUGYGFAB-KOLCDFICSA-N 266.776 3.744 30 20 CHED Clc1ccc(NN=C2CCC[C@H]2c2ccccc2)nn1 732527013 DKTYQFIJROVXIQ-LBPRGKRZSA-N 286.766 3.866 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cn(C(C)C)nn2)cc1 901523801 HUABHQWCEXZYMU-JXMROGBWSA-N 299.374 3.544 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 831051850 DCQTZKFJTALLKZ-UHFFFAOYSA-N 297.185 3.871 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cccc3c2OCCO3)c1 730438104 ZRGJMLKBXVDXGC-SREVYHEPSA-N 294.350 3.971 30 20 CHED COc1cc(NC(=O)C#CC(C)(C)C)ccc1C(F)(F)F 837657570 CBNODTZPMPIJIZ-UHFFFAOYSA-N 299.292 3.702 30 20 CHED CC[C@H](Nc1ccc(CCO)cc1)c1cccc(C#N)c1 902919449 JCRJSDMVTYFCBE-SFHVURJKSA-N 280.371 3.656 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)C#CC(C)(C)C)c1 837356729 HYWWHSRMTWDENH-INIZCTEOSA-N 269.388 3.708 30 20 CHED C#CCC[C@H](C)OC(=O)CCc1cc(Cl)cs1 839038535 IJJYEHNCAFDLQY-JTQLQIEISA-N 270.781 3.679 30 20 CHED Cc1ccc(OCCCN(CCC#N)CC(C)C)cc1C 739913184 ALRPDKLSOVESSY-UHFFFAOYSA-N 288.435 3.944 30 20 CHED COc1ccc2cc(C=NN[C@H](C)C(F)(F)F)ccc2c1 834996002 NEDGFKBFKUXAHA-SNVBAGLBSA-N 296.292 3.723 30 20 CHED CC1(C)OCC[C@@H]1NN=Cc1csc(Cl)c1Cl 835016789 NKPVDAARASLTKH-QMMMGPOBSA-N 293.219 3.546 30 20 CHED C=C(C)C[C@H](N[C@H]1CC[C@](C)(c2ccccc2)C1)C(=O)O 901680343 WNMAUWDKRDQVCP-BQFCYCMXSA-N 287.403 3.506 30 20 CHED CC(=NNc1cncc(Cl)n1)c1cccc(C)c1C 734299519 ZCJFOPUYMIUCEC-UHFFFAOYSA-N 274.755 3.583 30 20 CHED C=C(C)CCNC(=O)Nc1cc(F)ccc1Cl 583482960 KWNFEGGPOMAOKN-UHFFFAOYSA-N 256.708 3.567 30 20 CHED C=CCCCCCN(C)c1nccc2c1C(=O)OC2(C)C 739898769 FWUIXZCYIFEDTB-UHFFFAOYSA-N 288.391 3.670 30 20 CHED CCO[C@@H](C/N=C\c1cc(OC)ccc1O)c1ccccc1 588597080 ILKLAXKHQKCJBR-IZILLXMLSA-N 299.370 3.598 30 20 CHED CSCC1CCC(=NNc2ncccc2C)CC1 834974214 ZRFNZYGTJJGNCT-UHFFFAOYSA-N 263.410 3.711 30 20 CHED N#CC1(CN[C@H]2CCSc3c(F)cccc32)CCC1 903032164 RFGBYDWOUJJNLP-ZDUSSCGKSA-N 276.380 3.646 30 20 CHED CC(C)Oc1ccc(/C=C2\C(=O)c3nccn3[C@@H]2C)cc1 901561568 USSXVKWOXDDGKY-DYTQJMLRSA-N 282.343 3.511 30 20 CHED C=CCC[C@H](Nc1cc(COC)ncn1)c1ccccc1 583584736 YTHPVDOGNXFESU-INIZCTEOSA-N 283.375 3.742 30 20 CHED COc1cccc(C(=O)/C=C\c2c(OC)cccc2OC)c1 588386707 YVXHMFSDFYPROT-KHPPLWFESA-N 298.338 3.609 30 20 CHED Cc1cccc(Cl)c1NN=C1CCCOCC1 835012159 XCAPMLKEAAFZHB-UHFFFAOYSA-N 252.745 3.617 30 20 CHED N#Cc1ccc(CN(Cc2ccoc2)C2CCCCC2)nc1 584030218 WXJFVMGQIRQXJP-UHFFFAOYSA-N 295.386 3.881 30 20 CHED Cc1cc(C)c(/C=C2\CCc3c(cnn3C)C2=O)c(C)c1 915988848 KFWFBXTVHGZFMU-NTEUORMPSA-N 280.371 3.558 30 20 CHED CC(=NNc1ncncc1Cl)[C@@H]1CCCC[C@@H]1C 834972232 KNCCVISUGYGFAB-GXSJLCMTSA-N 266.776 3.744 30 20 CHED Clc1ccc(C=Nn2cnc3ccccc32)s1 839408560 GIPOYWWPFHVFIR-UHFFFAOYSA-N 261.737 3.633 30 20 CHED C[C@@H](Nc1cccc(NC(=O)O)c1)c1cccc(C#N)c1 833524640 HQUVMEULTQTWKV-LLVKDONJSA-N 281.315 3.821 30 20 CHED CCCCOc1ccc(NC(=O)[C@H](C#N)CC)c(C)c1 593416875 CHGFASKETUOXRT-ZDUSSCGKSA-N 274.364 3.662 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C2CCCC1CCC2 678858768 OGOCLXHOIUTXKL-NFOMZHRRSA-N 264.413 3.848 30 20 CHED CC(C)C#CC(=O)NC1CCC(c2ccc(F)cc2)CC1 831952303 RIMNDTZKGSHGQV-UHFFFAOYSA-N 287.378 3.628 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)CCc2c(O)cccc21 742435319 STXWWGMXSWHNOB-CSKARUKUSA-N 286.277 3.883 30 20 CHED CC(=NOCC(C)C)c1ccc(OC(F)F)cc1 749630854 BOTGGNPIXWFMBM-UHFFFAOYSA-N 257.280 3.685 30 20 CHED N#CC1(CC(=O)N[C@H]2CCCc3occc32)CCCCC1 596732223 QCMNCRJSXOASNH-AWEZNQCLSA-N 286.375 3.637 30 20 CHED CC(C)[C@H](O)Cc1ccccc1-c1ccc(F)cc1C#N 596635674 IZOTWIATDYWTIH-GOSISDBHSA-N 283.346 3.924 30 20 CHED Cc1cc(C#N)ccc1-c1ccccc1OC[C@H]1CCOC1 592986456 OGZVFLWALAALNQ-INIZCTEOSA-N 293.366 3.949 30 20 CHED FC(F)(F)CCON=Cc1ccc(C2CC2)cc1 841632598 DFMPKVBYIVSILF-UHFFFAOYSA-N 257.255 3.867 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(C2(C#N)CCC2)n1 590285148 IFYKRHUZZXALEV-VXGBXAGGSA-N 259.353 3.699 30 20 CHED COc1cc(C#N)cc(Cl)c1OC[C@H](CC(C)C)OC 842018953 JRZBPTSZDDQPHI-LBPRGKRZSA-N 297.782 3.660 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2ccncc2)cc1 917552991 WDMPECDYBUSQHP-AWEZNQCLSA-N 267.376 3.890 30 20 CHED C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](CC#N)C1 595612409 WKRBTJPFLUABPL-RYUDHWBXSA-N 264.319 3.651 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 593785598 GHNZABARYCNCTO-IXDOHACOSA-N 298.430 3.700 30 20 CHED C=CCN(Cc1ccc(OCC)c(OCC)c1)C(C)C 917070518 CYYRPDWFUBFONP-UHFFFAOYSA-N 277.408 3.880 30 20 CHED C#CCN(Cc1nc(C)c(C)s1)[C@@H]1CCc2ccccc21 746504079 XXRQCQDWGBSHOH-QGZVFWFLSA-N 296.439 3.883 30 20 CHED C=C(CNC(=O)c1cc(C)cc(C)c1)c1ccccc1 672482751 HGUNHEUUWPPMAD-UHFFFAOYSA-N 265.356 3.747 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CCCC12CCOCC2 846755575 JLRSAWMLSXSYET-MRXNPFEDSA-N 270.376 3.628 30 20 CHED CCCCCOc1ccc(C(=O)N(C)[C@@H](C#N)CC)cc1 594101217 SEKPXRUJCNEBDP-OAHLLOKOSA-N 288.391 3.630 30 20 CHED Cc1csc(NC(=O)N2CC[C@H](C3CCC3)C2)c1C#N 594104907 CRHRCSAUQFHIBY-LBPRGKRZSA-N 289.404 3.582 30 20 CHED C[C@@H](CC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccco1 599614040 QEAIDRXFLJGRDV-QWHCGFSZSA-N 282.343 3.522 30 20 CHED Cc1cccc2c1C/C(=C/c1cc(C#N)cs1)C2=O 748440589 OHJWFVUWOWKYMJ-SDQBBNPISA-N 265.337 3.751 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1cccc(OCC)c1 840750355 URPUACFJLWCTLY-UHFFFAOYSA-N 292.448 3.974 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@H](c2ccc(F)cc2)C1 595340488 WTYMHBGGAOXQOF-WMZOPIPTSA-N 280.346 3.880 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 594009428 MOJYHOTXXVTRGS-IIDMSEBBSA-N 298.430 3.822 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc(C)cc1)C(C)C 918083248 RRHHZHWFSDNZFM-CQSZACIVSA-N 260.381 3.662 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)CC1(O)CCCC1 746154583 XSCFKXKDEYVWAI-OAHLLOKOSA-N 283.456 3.794 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@H]2c2ccc(F)cc2)n1 741159280 CPNPIOOXMWTQCX-HNNXBMFYSA-N 298.365 3.968 30 20 CHED C=CCCSCCN[C@@H](CCC)c1cccnc1 595061272 ZSOUHXBKKMCPHA-HNNXBMFYSA-N 264.438 3.822 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cc2ccccc2[nH]1 748922188 HOIZOQLVRFBXCT-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)CCCF)c2C#N 598840757 ZRLJXPBHNJFNRC-ZJUUUORDSA-N 294.395 3.994 30 20 CHED N#Cc1ccc(CCN[C@H](C2CCCC2)C2CC2)cc1 595057835 XSIYZZMZULAEJY-GOSISDBHSA-N 268.404 3.659 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1 842678002 QKKONGSAQRPLDV-TUAOUCFPSA-N 276.405 3.700 30 20 CHED CCCC(CCc1ccccc1)=NNc1nccc(OC)n1 740760482 DOBZRSFVBRKCKM-UHFFFAOYSA-N 298.390 3.686 30 20 CHED CC#CCCCC(=O)OCCc1nsc2ccccc12 845878140 KIQUJYXAERMXIQ-UHFFFAOYSA-N 287.384 3.576 30 20 CHED CCOc1ccccc1C=NOCc1ccccc1C 849826010 ZCIYGUHOOJMKKE-UHFFFAOYSA-N 269.344 3.944 30 20 CHED CC[C@H](C)n1ncc(N[C@@H](C)CC(C)(C)C#N)c1C 926274968 DKQCFJDMXYJVKO-RYUDHWBXSA-N 262.401 3.903 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CCC(=O)C[C@@H]1C 847743407 AEHHEJFZDZMPTD-NOYHWAJDSA-N 292.419 3.916 30 20 CHED C[C@@H]1CCC[C@@H](N2CCC(=NO[C@H]3CCCCO3)CC2)C1 755822163 GIJQNNPKNCSOSM-OIISXLGYSA-N 294.439 3.560 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc(C)c(C)c1)OCC 758528251 NZWGXCWWUJEKQK-MRXNPFEDSA-N 276.376 3.718 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C(C)(C)c1ccc(F)cc1 851209893 KUIGCCNLBBYLAN-GFCCVEGCSA-N 291.366 3.975 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2cc(F)cc(F)c2)c1 755705218 NSJNAWARWLXVIU-SNAWJCMRSA-N 299.276 3.763 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccc(C#N)cc1)C2=O 920067157 SXCLXAYEZLCMIZ-DHDCSXOGSA-N 275.307 3.525 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccc(Cl)nc1 759084666 VYDKMLIHEBHBTP-XQRVVYSFSA-N 279.673 3.909 30 20 CHED C#CC(=O)N[C@H](c1ccc(CCCC)cc1)c1cccs1 753914439 PROSUWGQQWYSLC-GOSISDBHSA-N 297.423 3.930 30 20 CHED COc1ccc(/C=C2/COc3c(C)cccc3C2=O)cc1C 920066461 CKUBZIQMAVKSBU-GDNBJRDFSA-N 294.350 3.971 30 20 CHED Cn1nnc2cc(/C=C/C(=O)c3ccccc3Cl)ccc21 751029989 FULYGKSPNNOINO-VQHVLOKHSA-N 297.745 3.518 30 20 CHED C#C[C@](C)(CC)NCc1coc(-c2cccc(Cl)c2)n1 852099144 FQCAVZBALWMGQF-MRXNPFEDSA-N 288.778 3.887 30 20 CHED Fc1cccc(C=NOCc2ccc(-n3cccn3)cc2)c1 852152854 CVLCHDDMILCUEM-UHFFFAOYSA-N 295.317 3.562 30 20 CHED CC(C)C#CC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 854935150 JRIKYXKVIMXVKU-GDBMZVCRSA-N 289.806 3.752 30 20 CHED Cc1oncc1CS[C@@H](C)c1cccc(C#N)c1 853772595 ULJPRPDXUXBNJN-NSHDSACASA-N 258.346 3.849 30 20 CHED N#Cc1cc(Cl)ccc1NCCc1ccccc1 52856836 VEXPFIGNTJPNQZ-UHFFFAOYSA-N 256.736 3.866 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)NCC(C)(C)C#N 935320050 JEQLTKXCQZAQDX-UHFFFAOYSA-N 272.392 3.555 30 20 CHED C#CC[C@H](CCOC)Nc1nc(-c2ccccc2)cs1 858856159 RAKSXCDFOAQQHI-CQSZACIVSA-N 286.400 3.650 30 20 CHED C#CCOc1ccc(CNc2cncc3ccccc23)cc1 758583379 UPAOIQYXZXWBKM-UHFFFAOYSA-N 288.350 3.859 30 20 CHED C=C[C@H](OC(=O)CCc1nc(C)cs1)c1ccccc1 851451492 ITJUITUBRCXINI-AWEZNQCLSA-N 287.384 3.855 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cc(O)cc(O)c1 753691507 UQWSCAGRGRMASM-UHFFFAOYSA-N 270.332 3.551 30 20 CHED COc1ccc2c(c1)CCN(CCCCC1(C#N)CCC1)C2 931016184 PIZJOWAACKIIHJ-UHFFFAOYSA-N 298.430 3.917 30 20 CHED COc1ccc(C=NNc2c(F)cccc2Cl)cc1O 769830035 VSRCJYKPNOYWMU-UHFFFAOYSA-N 294.713 3.639 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)CCC2CC2)c1 768793586 PDLZIKKUZYBICQ-LBPRGKRZSA-N 272.417 3.533 30 20 CHED CSc1ccc(/C=C/C(=O)O[C@H](C#N)C(C)(C)C)s1 860646690 KAFSBKRPHRVMNH-OKPNEXGHSA-N 295.429 3.965 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(CN(CC)CC)cs1 930476901 ONPYLUGRMLRCQS-LBPRGKRZSA-N 295.452 3.526 30 20 CHED C#CCCc1noc(-c2ccc([C@H](C)CC)cc2)n1 762027259 PKPDCKGMRSXZKN-GFCCVEGCSA-N 254.333 3.816 30 20 CHED C#CCCCCCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 761637878 GUTVOLQAVUMXKC-UHFFFAOYSA-N 299.330 3.689 30 20 CHED C(=NNC1CCCC1)c1cccc(-c2cccnc2)c1 768485610 TXVKGIYTHVCTPN-UHFFFAOYSA-N 265.360 3.615 30 20 CHED N#Cc1cccc(CN2CCc3cc(Cl)ccc32)c1F 864027504 FXECJIPGEOVDGI-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ncc(Cl)s1 769918459 LFVKAVOOWJAQMY-SECBINFHSA-N 293.779 3.699 30 20 CHED CSc1ccc(/C=C\C(=O)O[C@@H](C#N)C(C)(C)C)s1 860646691 KAFSBKRPHRVMNH-XOIDGJRKSA-N 295.429 3.965 30 20 CHED C[C@@H]1C(=NNc2ccc(F)c([N+](=O)[O-])c2)CCC[C@H]1C 769829554 SGIHYBGANGYYAB-ZJUUUORDSA-N 279.315 3.958 30 20 CHED Cc1cc(CNC[C@H](C)c2cccc(F)c2)ccc1C#N 767693252 JYTMRKMXIXHVPC-AWEZNQCLSA-N 282.362 3.899 30 20 CHED Cc1nc2ccc(C(=O)OCCC(C)(C)C#N)cc2s1 763511537 NXTXPBJMFWDDKV-UHFFFAOYSA-N 288.372 3.701 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)cc1 765824090 JPWOAGPRPGIEPA-SREVYHEPSA-N 272.325 3.651 30 20 CHED C#CC(C)(C)NC(=O)Nc1cccc(CCC(F)(F)F)c1 878896685 AYKCANBQCXGQJR-UHFFFAOYSA-N 298.308 3.715 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1cccs1 165441147 FSINGFMBGZWLHT-UHFFFAOYSA-N 256.374 3.560 30 20 CHED CCCCCCCC(=O)NCC[C@](C)(O)c1ccccc1 779135485 ZRAUJHJILHFBNJ-SFHVURJKSA-N 291.435 3.761 30 20 CHED C=CCCC[C@H](C)NC(=O)C(F)(F)c1ccccc1F 775756870 VHNDGGZBZIKNCB-NSHDSACASA-N 285.309 3.779 30 20 CHED CC(C)c1nccnc1NN=Cc1ccnc2ccccc12 773075854 ZRRDCUHKZCDPIH-UHFFFAOYSA-N 291.358 3.594 30 20 CHED C(=NOC1CCOCC1)c1ccc(-c2ccccc2)cc1 774443575 CHHYHVQPCLYQPW-UHFFFAOYSA-N 281.355 3.883 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 772988824 BODBDSYXBBRSKJ-UHFFFAOYSA-N 294.314 3.693 30 20 CHED CC(C)Oc1ccc(NC[C@@H]2CC2(Cl)Cl)cc1C#N 771890640 UIHPTSLHLJZJNA-NSHDSACASA-N 299.201 3.951 30 20 CHED C=C(C)CN(C)Cc1c(C)nn(CCCC)c1Cl 779151233 VZELSUPHDYEPAB-UHFFFAOYSA-N 269.820 3.653 30 20 CHED Cc1nc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)ccc1C#N 1128211781 UFLVAFOABFRDIV-GDBMZVCRSA-N 299.418 3.596 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(C(F)(F)F)cc1Cl 775256183 VPHWLMNFLAZQQD-MRVPVSSYSA-N 291.656 3.818 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)C2CC(c3ccc(F)cc3)C2)C1 1122650050 OHDSBXXGBUXNHA-JIFUTNICSA-N 287.334 3.555 30 20 CHED C[C@H](C#N)COC(=O)c1ccc2c(c1)-c1ccccc1C2 770950326 PAQKWGFIAYGVIR-GFCCVEGCSA-N 277.323 3.574 30 20 CHED CS[C@@H]1CC[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 776741948 YMGAWYYUVZKXNP-LEWSCRJBSA-N 278.396 3.632 30 20 CHED N#Cc1ccnc(COc2ccc(Cl)cc2Cl)c1 1458815678 DQTANKZMQODEOG-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1ccc2c(c1)CCO2 1121245727 TUMRLNYKZDDPBG-ZDUSSCGKSA-N 287.359 3.700 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)Cc1ccccc1CC#N 777036463 HWTCDKQRGWQKQO-GOSISDBHSA-N 298.430 3.722 30 20 CHED CCOCCON=Cc1ccc(-c2c(F)cccc2F)o1 774422213 JOBGNCKNPGAABW-UHFFFAOYSA-N 295.285 3.612 30 20 CHED COc1cccc([C@H](C)CC(=O)OCCC(C)(C)C#N)c1 776391954 KDTLWMXJLWKTMM-CYBMUJFWSA-N 289.375 3.672 30 20 CHED N#CC1(COC(=O)c2cccc(-n3cccc3)c2)CCCC1 780533015 LFXKBBWBZNOYHS-UHFFFAOYSA-N 294.354 3.718 30 20 CHED C#CCC1(C(=O)N2CC[C@@H](c3ccccc3)C2)CCCCC1 788190503 WBVGVQYKRLPDSS-GOSISDBHSA-N 295.426 3.976 30 20 CHED CC1CC(C#N)(C(=O)OC/C=C\c2ccc(Cl)cc2)C1 787747369 YGMDOABHOIPGGA-IHWYPQMZSA-N 289.762 3.836 30 20 CHED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCCO1 783840168 DKOSBFAKSGQLJS-CYBMUJFWSA-N 297.280 3.544 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1nnc(C)o1 1120255658 LSOIMHKUHUWSPM-LBPRGKRZSA-N 285.347 3.586 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2cccc(OC)c2)CC1 887955872 QKBVBMSPVXCNBI-CYBMUJFWSA-N 273.376 3.619 30 20 CHED C#CCn1ccc(CN(CC)C[C@@H]2CCC[C@@H](CC)C2)n1 789759201 PZWOVEUSJVJDCE-IAGOWNOFSA-N 287.451 3.555 30 20 CHED Cc1ccc(C=NOCc2ccc(C(F)(F)F)cn2)cc1 783871024 ZUMVXFUPNPQSNX-UHFFFAOYSA-N 294.276 3.960 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)CC1CCCC1 1474430766 PBALVTIYHLJHDJ-GFCCVEGCSA-N 258.365 3.948 30 20 CHED C=CCOCCCC(=O)OCc1ccc(Cl)c(F)c1 785681105 YZADFYCOSCPFDI-UHFFFAOYSA-N 286.730 3.505 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C(/C)c1ccccc1 785852044 FBWUAJMJVIZJHP-FIPLFPIMSA-N 255.361 3.657 30 20 CHED c1ccc2nc(NN=C3CCC34CCCC4)cnc2c1 788714794 KGXZCMNOSLHEAN-UHFFFAOYSA-N 266.348 3.752 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@@H](C)[C@@H]2C)n1 781126156 APRRCHHHTIBSRN-BDAKNGLRSA-N 266.776 3.662 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1cc(C)ccc1OC 899343755 CIXQSWKREJOTKM-FPLPWBNLSA-N 285.343 3.759 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(F)c(C#N)c2)c(C)c1 788128696 NPCBSDDZWAOCCI-UHFFFAOYSA-N 282.318 3.591 30 20 CHED C[C@H](CC(=O)OCc1ccc(Cl)cc1C#N)C1CC1 780038201 ZGJUCQLOEGKFLL-SNVBAGLBSA-N 277.751 3.691 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(C(=O)CC)cc1F 786637927 OSXDWSLGOYGHMF-MRXNPFEDSA-N 278.323 3.926 30 20 CHED C[C@@H](CC(=O)OCC1(CC#N)CC1)c1c[nH]c2ccccc12 786432004 UAHMODUMOXPWFQ-ZDUSSCGKSA-N 296.370 3.899 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)OCC1CC1 785215784 ZOADYWNVUOTGJK-UHFFFAOYSA-N 275.348 3.543 30 20 CHED Cc1nn(C(C)C)c(C)c1CNc1cccc(CC#N)c1 894768429 WGJCLLFTGPCDHD-UHFFFAOYSA-N 282.391 3.759 30 20 CHED C=CC(C)(C)Cc1nc(-c2cccc3nc(C)[nH]c23)no1 896285136 PWKPDACXYVDMHZ-UHFFFAOYSA-N 282.347 3.676 30 20 CHED CCOc1ccccc1C(=O)OCCCC(C)(C)C#N 782021067 GGCSBRCIYZRWJK-UHFFFAOYSA-N 275.348 3.572 30 20 CHED COc1ccccc1NC(=S)NN=C1CCC(C)(C)C1 783794641 YFDJKNUKJCOXCV-UHFFFAOYSA-N 291.420 3.548 30 20 CHED N#CCCN(CC1CC1)C(=O)c1cccc2ccsc12 274359948 RVWLBWXMFNAWKX-UHFFFAOYSA-N 284.384 3.667 30 20 CHED C#CC[C@@H](Nc1cc(CC)nc(C)n1)c1ccccc1 782151054 SQDAHLGQUCIARJ-MRXNPFEDSA-N 265.360 3.524 30 20 CHED Cn1c(NN=Cc2sccc2Cl)nc2ccccc21 782204218 XJUSHQXAHYLPQQ-UHFFFAOYSA-N 290.779 3.734 30 20 CHED Clc1csc(C=NNc2nncc3ccccc23)c1 782127118 JFODLCNWZHSHFK-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=CCC1(O)CCN(C(=O)[C@@H](C)CCCCCC)CC1 899589482 XDBHQXUZIBRIQM-HNNXBMFYSA-N 281.440 3.523 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1cc(C)c(C)o1 799876238 URYJBOOAOOAFTI-UHFFFAOYSA-N 282.347 3.619 30 20 CHED C=C1CCN(C(=O)NC[C@H]2CCCCC(F)(F)C2)CC1 895002053 BRKWGPZFWTTWPY-ZDUSSCGKSA-N 286.366 3.564 30 20 CHED CC[C@H]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 1137324890 LLDGVQJRJZDYKS-VIFPVBQESA-N 297.185 3.737 30 20 CHED Oc1ccc(F)c(C=NNc2ccccc2Cl)c1F 794453715 VMFSPOAGOIBIDS-UHFFFAOYSA-N 282.677 3.770 30 20 CHED CCN(C[C@@H]1CCCCO1)[C@@H](C)c1ccc(C#N)cc1 193760507 JDNMMSQBBVHWRL-YOEHRIQHSA-N 272.392 3.510 30 20 CHED CC(=NNc1cncnc1)[C@@H](C)c1nc2ccccc2s1 794971854 JXYMRNBWQYUBEG-SNVBAGLBSA-N 297.387 3.678 30 20 CHED CCCCCOC(=O)C(C)(C)c1cc(F)cc(C#N)c1 796839215 MXORGNSYYFVANV-UHFFFAOYSA-N 277.339 3.708 30 20 CHED C[C@@H](COCC1CCCCC1)NCc1cc(C#N)cs1 1203750604 MMNOKCORAIOCRZ-ZDUSSCGKSA-N 292.448 3.695 30 20 CHED Cc1cc(C=NN[C@@H](C)C(C)(C)C)cc2cccnc12 793112727 VRCMVNQMQBKJLZ-ZDUSSCGKSA-N 269.392 3.901 30 20 CHED Cc1ccc(-c2n[nH]cc2C=NNc2ncccc2C)cc1 790191552 WGBWJHACYXYXLI-UHFFFAOYSA-N 291.358 3.535 30 20 CHED Cc1cc(C)c(C#N)c(N(C)Cc2sccc2C)n1 72672801 BCSFPPDIUZWMLP-UHFFFAOYSA-N 271.389 3.576 30 20 CHED COc1ccc(NN=C[C@H](C)CC(C)C)c([N+](=O)[O-])c1 799111567 JGEDUXLICGRKCF-LLVKDONJSA-N 279.340 3.683 30 20 CHED CC(C)CN(CCC#N)C[C@H]1C[C@H]1c1ccccc1 768154590 UESJXODYIBMESP-SJORKVTESA-N 256.393 3.662 30 20 CHED C=CCCCOC(=O)[C@@H]1CCCc2sccc21 771414382 PVDYCNLBFRGOIP-GFCCVEGCSA-N 250.363 3.677 30 20 CHED N#CCC(=O)N(CCCc1ccccc1)c1ccccc1 1160831953 PPBOSYIVBCQCCS-UHFFFAOYSA-N 278.355 3.566 30 20 CHED CC1(C)CN(C(=O)Nc2sccc2C#N)CC(C)(C)C1 1310957336 ZAFBDABWTGIFLM-UHFFFAOYSA-N 291.420 3.910 30 20 CHED N#CCOc1cccc(CNC/C=C\c2ccc(F)cc2)c1 1319475365 VUGCKRQJZCJLLX-RQOWECAXSA-N 296.345 3.531 30 20 CHED N#CC[C@H](C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccccc1 1353523828 WCRDVTNWLLQWJT-HPBDAGMYSA-N 296.414 3.769 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1319942357 JHDBDYZWUYZGPN-HRCADAONSA-N 278.440 3.953 30 20 CHED C[C@]1(c2nnc(-c3ccc(C#N)cc3)o2)CC=CCC1 1326986826 DZRMWVXXFYVRKK-INIZCTEOSA-N 265.316 3.606 30 20 CHED COc1cc(F)cc(NCc2ccc(Cl)cc2C#N)c1 1320520388 XNEKBYKUWWRZDX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CSc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)o1 1322586167 WPEJIWNMAHNRTF-UHFFFAOYSA-N 283.312 3.590 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1329267537 VWRGTKZNNGCYLK-LSDHHAIUSA-N 291.439 3.538 30 20 CHED C=CCC[C@H](NC[C@H]1CCCN(CC)C1)c1ccco1 1325887443 DTKKJUXBZDTXPM-CVEARBPZSA-N 276.424 3.608 30 20 CHED COc1ccccc1C1(NCc2ccccc2C#N)CCC1 1324890777 KICHOAICXDUSMA-UHFFFAOYSA-N 292.382 3.736 30 20 CHED COC(=O)c1cccc(/C=C2/Cc3cc(C)ccc3C2=O)c1 1322547197 UKEIDROAMSIOIY-YBEGLDIGSA-N 292.334 3.604 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(C)c(Cl)c2)[C@H]1SC 1325250677 RJQVSGSDXRIHDI-ZIAGYGMSSA-N 298.839 3.957 30 20 CHED C#CCCCCc1nnc(C(C)(C)c2ccccc2)o1 1322908497 YVNIFGUEKPIKJK-UHFFFAOYSA-N 268.360 3.742 30 20 CHED CC(C)=CCSCCC(=O)Nc1cccc(C#N)c1 1323648307 MVAFLKUXENUPHT-UHFFFAOYSA-N 274.389 3.586 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1c(F)cccc1F 1323391066 XCGRVGIJJXPWFZ-VIFPVBQESA-N 281.331 3.596 30 20 CHED C=CCC(CC=C)C(=O)N1CC(c2ccc(F)cc2)C1 1330613033 HFIWHKNMTPVECP-UHFFFAOYSA-N 273.351 3.520 30 20 CHED CCCCC(=O)N(c1ccccc1C#N)C1CCC1 1333635140 ORAGFKXWFCIVIB-UHFFFAOYSA-N 256.349 3.634 30 20 CHED Cc1c(C#N)cccc1-c1nc([C@@H]2CC2(Cl)Cl)no1 1333745154 ANGIMRJTIZWQHG-JTQLQIEISA-N 294.141 3.578 30 20 CHED C[C@@H](CC(=O)N[C@H](C#N)C1CCCC1)c1ccccc1F 1331522496 WQTAOBCOZDWXST-BLLLJJGKSA-N 288.366 3.518 30 20 CHED COc1cccc(C=NOC(C)(C)C)c1OC(C)C 1336227601 IKNPJISCFLKGPA-UHFFFAOYSA-N 265.353 3.631 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C1CC(OC(C)C)C1 1190347934 HKLFFCUETRFFRU-UHFFFAOYSA-N 286.419 3.726 30 20 CHED C=CCC1(C(=O)N2CCC3(CCCC3)C2)CCCC1 1261300451 VZAZMYIFGMYCAA-UHFFFAOYSA-N 261.409 3.916 30 20 CHED CO[C@H]1C[C@H](N(C)CCC2(C#N)CCCCC2)C12CCC2 1194385810 SXXZWSPODMHFBM-HOTGVXAUSA-N 290.451 3.740 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccnc(-c2ccco2)c1 1347523095 UJTNUUFCDSZMLB-HNNXBMFYSA-N 296.370 3.912 30 20 CHED Cc1ccsc1COC(=O)C1(c2cccc(C#N)c2)CC1 1347139722 YHRUEMYTKSMMKP-UHFFFAOYSA-N 297.379 3.703 30 20 CHED C#CCCCc1nc(Cc2ccc(C(C)(C)C)cc2)no1 1343067953 IBEDNIBAHCGKPI-UHFFFAOYSA-N 282.387 3.914 30 20 CHED Nc1cnnc(NN=C2CCC3(CCCC3)CC2)c1Cl 1347384669 UQBZAYDBBRMOQG-UHFFFAOYSA-N 293.802 3.615 30 20 CHED CC(C)CCC(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1349759644 AUODTPXCAKOHKP-JTQLQIEISA-N 289.766 3.829 30 20 CHED C#CC[C@@H](C)OC(=O)c1ccc(C)c(Oc2ccncc2)c1 1347107902 OYARCGNAIGOCRB-CQSZACIVSA-N 295.338 3.751 30 20 CHED C=C(CC)C(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1 1351501352 MQCQYGYEODLDAQ-SMDDNHRTSA-N 261.365 3.854 30 20 CHED COc1ccc(C#N)cc1COc1c(F)cccc1Cl 215528610 HVFRYGANUJZTPE-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC(C)[C@H]1N(C(=O)[C@@H](CC#N)c2ccccc2)CC12CCC2 1450404585 ZOJRCBGOLGLSHU-DLBZAZTESA-N 296.414 3.721 30 20 CHED CC[C@@H](C)n1nccc1C(=O)O[C@H](C)c1cccc(C#N)c1 1525571805 JXWVFCRZAZGPGI-CHWSQXEVSA-N 297.358 3.644 30 20 CHED CSc1ccccc1[C@H](C)OC(=O)c1cc(C#N)ccn1 1521255956 ULMKBYBKXMRXMH-NSHDSACASA-N 298.367 3.593 30 20 CHED Cc1nc(C#N)cc(N2C[C@@H](C(C)(C)C)c3ccccc32)n1 1458345869 NBWSWEQKFZCXPP-OAHLLOKOSA-N 292.386 3.938 30 20 CHED C=C(CC)C(=O)Nc1ccc(Cl)cc1OCC 1528025053 VVCYYNVAVGXPRV-UHFFFAOYSA-N 253.729 3.643 30 20 CHED N#Cc1cc(S[C@@H]2CCOc3ccccc32)ccn1 1458247030 HUOYLBQCWVQKBP-OAHLLOKOSA-N 268.341 3.569 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)c2ccc(C#N)cc2F)c1 1523050952 WPXLHMDAKNZARV-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED CC(C)CC1(CNC(=O)c2ccsc2C#N)CCC1 1535333030 SSKAHQNDKDOWRT-UHFFFAOYSA-N 276.405 3.566 30 20 CHED CC(C)[C@@H](CN[C@@H](C)CC(C)(C)C#N)C(=O)OC(C)(C)C 1462386583 KJNXOKDHNPFSBI-UONOGXRCSA-N 296.455 3.518 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1)[C@H]1CC1(C)C 1465139609 CHLYPWKXDPQKCD-ZIAGYGMSSA-N 271.364 3.504 30 20 CHED N#Cc1cn(CCCc2ccccc2)c(=O)c2ccccc12 1473062609 XGTVTHPXDTXQSI-UHFFFAOYSA-N 288.350 3.506 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)c1ccnc(C#N)c1 1472696401 MMVWNDLQRUIBTC-LBPRGKRZSA-N 285.778 3.674 30 20 CHED Cc1ccc(CSc2cccc(F)c2C#N)nc1 1613821915 VYXVNBFYXQTICJ-UHFFFAOYSA-N 258.321 3.693 30 20 CHED Cc1ccccc1N(C)C(=O)c1ccc(C#N)c(Cl)c1 1540000425 PJSMHNLQTYEIDA-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1NCCc1ccc(C#N)cc1 1621004397 WITYHCWFJTUKNN-CZUORRHYSA-N 256.393 3.515 30 20 CHED CC(C)CN(C)c1nc2c(c(C#N)c1C#N)CCCCCC2 1639386034 LJQFAWNDECAPES-UHFFFAOYSA-N 296.418 3.576 30 20 CHED Cc1cccc(CN(C)Cc2cc(F)ccc2C#N)c1 229958038 HSGVDWFJAQDIFL-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CC[C@@H]1CCC[C@H]1NCc1cc(Cl)ccc1OCC#N 1645282731 UGWBCYHCKGHKBT-IUODEOHRSA-N 292.810 3.911 30 20 CHED CCOC(=O)CC[C@@H](C)Sc1ccc(C#N)c(C)c1 1641226263 UJDIGZLJRQPSHI-GFCCVEGCSA-N 277.389 3.691 30 20 CHED CC(C)CN(C[C@H]1CCCCO1)c1ccc(C#N)cc1 1652788762 MLVSFZDSUYHNNR-QGZVFWFLSA-N 272.392 3.590 30 20 CHED CCOc1cccc(NC(=O)Nc2cc(C#N)ccc2F)c1 1672625421 RVXMPCXLTLHMAB-UHFFFAOYSA-N 299.305 3.740 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@H](C)c2ccc(C)c(C)c2)C1 1776157421 KNMJPFSKLJVVIK-QAPCUYQASA-N 287.403 3.717 30 20 CHED O=C(O)c1coc(/C=C/C(=O)c2ccccc2Cl)c1 1776114907 FWZAESRZRPMJKN-AATRIKPKSA-N 276.675 3.527 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(C(=O)O)c(C)o2)c(C)s1 1776133187 PHVAYOFUTVMRPN-SNAWJCMRSA-N 290.340 3.861 30 20 CHED CCc1cc(C(=O)O)c(C=NN[C@H]2CCCC2(C)C)s1 1776057202 NTZYUJNIWDLBGY-ZDUSSCGKSA-N 294.420 3.511 30 20 CHED Cc1ccnc(NCC(C)(C)c2ccccc2)c1C#N 135188458 NGQFKFSBLPLTHU-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CC1(C)CCC[C@H](Nc2c(C#N)nnc3ccccc23)C1 150195639 FKDVNMZKTPNZJR-LBPRGKRZSA-N 280.375 3.882 30 20 CHED C=CCC[C@@H](NC(=O)N(CC)CC)c1ccccc1 158123893 HPOGLTFDWRUGBC-OAHLLOKOSA-N 260.381 3.745 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccsc1 152902995 VXJKZGXYPLEKJN-LBPRGKRZSA-N 256.374 3.813 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 153153254 JLLFWIGONGBRKL-XJKSGUPXSA-N 295.810 3.648 30 20 CHED N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)s1 155096943 GDBCMGWLPVTYLN-OAHLLOKOSA-N 282.412 3.684 30 20 CHED C=C[C@@H](CC(=O)Nc1ccccc1O)c1ccccc1 157610878 DDDYPQLLVGOCLC-ZDUSSCGKSA-N 267.328 3.691 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)CC1=CCCCC1 156544019 VGMXVMIOYNEGSL-UHFFFAOYSA-N 287.334 3.667 30 20 CHED CSCCCSCCCOc1cccc(C#N)c1 126526501 PZKIGDVAJJIJSM-UHFFFAOYSA-N 281.446 3.813 30 20 CHED C[C@H]1CC(C)(C)C[C@@H]1Nc1cccc(OCC#N)c1 235548179 NHPZPQMYNCQXLN-WFASDCNBSA-N 258.365 3.826 30 20 CHED C=CCC1(NCc2cccc3nsnc23)CCCC1 852587703 CCSQXUDCVBXDRK-UHFFFAOYSA-N 273.405 3.670 30 20 CHED CC#CCCSc1nnc(NCc2ccccc2)s1 155062567 DPSCLPWVWTWKBW-UHFFFAOYSA-N 289.429 3.656 30 20 CHED COc1ccc(CNc2ccc(C#N)cc2F)cc1Cl 156218075 XRZJABTUJLSQIW-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CN(CCSCCC(C)(C)C#N)Cc1ccccc1 278614658 JEMQVTCPACASNF-UHFFFAOYSA-N 276.449 3.791 30 20 CHED C#CCCCCC(=O)Nc1ccccc1OCCC 179686368 FKGFPDQWKGUQCF-UHFFFAOYSA-N 259.349 3.608 30 20 CHED C#CCCCN[C@@H](C)c1cc2cccc(OC)c2o1 181833171 UQNFZHHNFAPOKM-LBPRGKRZSA-N 257.333 3.505 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1ccc(F)cc1C#N 195206473 ZNIORPFBSWSQDM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC[C@H]1CN(CCCCC(C)(C)C#N)[C@H](CC)CO1 403905525 WSXWGOKXAUPHOX-CABCVRRESA-N 266.429 3.596 30 20 CHED N#Cc1cc(Sc2ccc3ccccc3c2)ncn1 311945095 IPFXZOQGQKWKOG-UHFFFAOYSA-N 263.325 3.653 30 20 CHED CCN(CCO[C@@H](C)C#N)c1cccc2ccccc12 312253143 CRXKZTCVOSCQFQ-AWEZNQCLSA-N 268.360 3.595 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1NCCc1cccc(C#N)c1 466423150 BYEORDFTJAWHHT-CJNGLKHVSA-N 256.393 3.515 30 20 CHED C=CCCCCNCc1c[nH]nc1-c1ccccc1 336812888 SKVQOIXNMJOQOF-UHFFFAOYSA-N 255.365 3.523 30 20 CHED N#Cc1ccc(NCc2nccc(C(F)F)n2)cc1Cl 340994441 MNJSRYGMRMOIEF-UHFFFAOYSA-N 294.692 3.551 30 20 CHED N#Cc1ccc(CN2CCCC(F)(F)CC2)c(Cl)c1 599553059 SGXSLPXMALIZND-UHFFFAOYSA-N 284.737 3.833 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cc3ccccc3o2)n1 3196090 FBYGGEYDBMOXST-LLVKDONJSA-N 282.324 3.688 30 20 CHED C[C@H](C#N)CNCc1c(Cl)ccc(Cl)c1Cl 54181196 XYYYJOSDHNNSBB-SSDOTTSWSA-N 277.582 3.896 30 20 CHED Cc1ccc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 10697085 IUTMEHNSOYAFKT-UHFFFAOYSA-N 296.395 3.598 30 20 CHED N#Cc1cccnc1NCc1ccccc1OC1CCCC1 52447672 QTPQUOPMUMCYMT-UHFFFAOYSA-N 293.370 3.887 30 20 CHED C#CCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 172939768 CMVSTHDNPQKDIZ-VXGBXAGGSA-N 296.197 3.627 30 20 CHED N#Cc1ccc(NCCc2c[nH]c3ccccc23)c(F)c1 58341238 HUMMVCVMMDJJFG-UHFFFAOYSA-N 279.318 3.833 30 20 CHED CCc1nn(C)cc1/C=C1\C(=O)c2ccccc2C1(C)C 179739451 JBQPCVWOROBLPN-XNTDXEJSSA-N 280.371 3.540 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)C1(C#N)CCCC1 178005587 LJAKVCQFRPWQEB-ZIAGYGMSSA-N 276.424 3.791 30 20 CHED CCCCCCCCCC(=O)NCc1ccncc1 109438008 VZHUUNQMACEVHV-UHFFFAOYSA-N 262.397 3.839 30 20 CHED C=CC1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 110367788 IHPNHZCRAJCJBL-UHFFFAOYSA-N 275.417 3.665 30 20 CHED O=C1/C(=C\c2cnc3ccccn23)CCc2cc(F)ccc21 176941104 BGZFQDAZTICVBH-RAXLEYEMSA-N 292.313 3.686 30 20 CHED C=CCCCCCN1CC[C@@H](C)[C@H](n2ccnc2)C1 248732860 MERCNFSJYZNGJG-HZPDHXFCSA-N 261.413 3.512 30 20 CHED Cc1ccc(SCCNc2c(C#N)cccc2C#N)cc1 302840594 LPLDIURBTVVNPZ-UHFFFAOYSA-N 293.395 3.943 30 20 CHED N#Cc1ccc(CN(c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 301985850 LTNQERDUBPGDPC-UHFFFAOYSA-N 293.326 3.635 30 20 CHED Cc1cc(C#N)nc(N[C@@H](c2ncc(C)s2)C2CC2)c1 1351975149 OXMVZDNHDQEDMS-CQSZACIVSA-N 284.388 3.590 30 20 CHED Cc1nc(CN(C)c2cc(C#N)c3ccccc3n2)cs1 68772691 SHOOGOLRGWFZOX-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 305771872 KQZXHKYXAPJPRI-HNAYVOBHSA-N 296.414 3.726 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#N)ccc1C 1359854763 RDEGNNBXXZZDBO-WBVHZDCISA-N 284.403 3.955 30 20 CHED COc1ccc([C@H]2CCN(c3ccc(F)cc3C#N)C2)cc1 301396857 GQPHYBWQLPXVLQ-AWEZNQCLSA-N 296.345 3.700 30 20 CHED N#Cc1cccnc1N[C@@H]1CCC[C@H]1Cc1ccccc1 301338332 DCVULOSHDMBWEP-DOTOQJQBSA-N 277.371 3.777 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccc(C)nc2)c1 66463326 QPBQGPRHIVZEAU-UHFFFAOYSA-N 282.343 3.597 30 20 CHED CC[C@@H](C)NC(=O)c1ccc(C#Cc2ccccc2)cc1 25377402 GXCDDXKJHRHDQR-OAHLLOKOSA-N 277.367 3.615 30 20 CHED C=C(Br)CN1CC[C@H](C)c2ccccc21 306847185 JJOLMVLOSQDEEO-JTQLQIEISA-N 266.182 3.909 30 20 CHED C=CCOc1ccc(OCc2ncc(C)s2)cc1 179912349 NYKKVPBCEUANFU-UHFFFAOYSA-N 261.346 3.595 30 20 CHED Cc1csc([C@H](C#N)C(=O)CC(C)(C)c2ccccc2)n1 67785527 HBEKOCHXMDESMN-CQSZACIVSA-N 298.411 3.996 30 20 CHED C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(C#N)cc1 26119552 RRLZCCJWJNRXKD-GFCCVEGCSA-N 289.338 3.531 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1oc(C)cc1C 176503394 QCRQGXYDKYVPRD-UHFFFAOYSA-N 276.380 3.689 30 20 CHED CCCC(O)(CCC)CC(=O)Nc1cccc(C#N)c1C 178604564 UWOYNBNSVLEBIC-UHFFFAOYSA-N 288.391 3.527 30 20 CHED N#Cc1ccc(NCCCSc2nccs2)c(F)c1 301762000 GKMCJIFHSWYQDN-UHFFFAOYSA-N 293.392 3.748 30 20 CHED Cc1ccc(CNc2ccc(F)cc2OCC#N)cc1C 181544001 COEQPAFTUVLZJS-UHFFFAOYSA-N 284.334 3.957 30 20 CHED CC[C@](C)(C#N)NC(=O)c1oc2c(Cl)cccc2c1C 127418220 KINOSJPHZZLHOC-OAHLLOKOSA-N 290.750 3.817 30 20 CHED COc1ccsc1C(=O)/C=C/c1cc(F)c(O)c(F)c1 184772242 CEIJNRSZRBUAPJ-NSCUHMNNSA-N 296.294 3.637 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1ccc2ccccc2c1 120659313 YFUVSGBJFXOGIQ-MDZDMXLPSA-N 276.339 3.778 30 20 CHED Cc1cc(C)cc([C@H](C)NCCCSCC#N)c1 182944854 KCGWVWQRQBEHPZ-AWEZNQCLSA-N 262.422 3.601 30 20 CHED CS[C@@H]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 78477205 QXSJORXUYFTQPM-CMPLNLGQSA-N 266.797 3.908 30 20 CHED CCN(c1ccc(NC(=O)C2(C#N)CCC2)cc1)C(C)C 127975957 VOEZQRUOZAGFJJ-UHFFFAOYSA-N 285.391 3.554 30 20 CHED Cc1ccc(CCN(CCCC#N)CC(F)(F)F)cc1 75886111 BUBKBTBHCBTPAK-UHFFFAOYSA-N 284.325 3.706 30 20 CHED C[C@@]1(CNc2ccc(C#N)c(Cl)c2)CCCS1 126424931 AZDDWOMWKLIQOU-ZDUSSCGKSA-N 266.797 3.909 30 20 CHED N#CCCSCCOc1ccccc1C(F)(F)F 413010860 IASUUGSSMMHOTL-UHFFFAOYSA-N 275.295 3.731 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1 211574619 ZWJCZLIGNGPXDW-UHFFFAOYSA-N 273.694 3.713 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(C#N)cc2)o1 79626946 QWVMOZYBQQUUIU-NHYWBVRUSA-N 295.342 3.596 30 20 CHED N#CCOc1cccc(CN[C@H](c2ccccc2)C2CC2)c1 124839108 PYPBXBSVPNIWNM-LJQANCHMSA-N 292.382 3.830 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C(F)(F)F)ccc1F 125267926 ONPLECMHBBURGI-MRVPVSSYSA-N 275.245 3.539 30 20 CHED Cc1ccc(CSCCNc2ncccc2C#N)cc1 78941244 MERZRRIJPXXIOH-UHFFFAOYSA-N 283.400 3.607 30 20 CHED Cc1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1 76154275 LXFFODMECXWJPW-IRXDYDNUSA-N 297.427 3.723 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 411350522 HPDORFQLRPPGAB-HNONPPJISA-N 296.414 3.699 30 20 CHED C=CCC[C@@H]1NC(=O)N([C@H](CCC=C)c2ccccc2)C1=O 419973452 HWWKFGJHNFJICU-JKSUJKDBSA-N 298.386 3.581 30 20 CHED CNC(=O)c1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 212804275 KDCMMZNULFWXCV-WCIBSUBMSA-N 299.757 3.596 30 20 CHED CC[C@@H](C)N(C(=O)c1ncc(C#N)cc1Cl)[C@H](C)CC 410683853 MMYJSRLHQDCGLP-GHMZBOCLSA-N 293.798 3.646 30 20 CHED CC1(C)CC[C@@H](CSc2ccc(C#N)cc2F)O1 412996700 UBBOOKJTXALBBW-NSHDSACASA-N 265.353 3.747 30 20 CHED CC#CCCCC(=O)Nc1cccnc1-c1ccccc1 185944541 DKPMOIBOHHVLKF-UHFFFAOYSA-N 278.355 3.881 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 410628590 XRHGCXJZILYEJF-LZWOXQAQSA-N 264.413 3.647 30 20 CHED C=CCC1(C(=O)NCC[C@@H](OCC)C2CCCC2)CCC1 188711173 ZCUGRRFJBSCVGN-MRXNPFEDSA-N 293.451 3.834 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(C2CCC2)cc1 410831643 AEYHFOBXDOBZTK-INIZCTEOSA-N 270.376 3.718 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)CCCC(C)(C)C#N)C1 174880595 OUXPFUQLNLRJKR-ZIAGYGMSSA-N 268.470 3.922 30 20 CHED C=CCC1(C(=O)N[C@H]2CC(=O)c3ccccc32)CCCCC1 416195412 UZYADYXEHPGOHX-INIZCTEOSA-N 297.398 3.957 30 20 CHED CCc1ccccc1CC(=O)N(CCC#N)CCC(C)C 188263157 CUIWGGYYSMYNCO-UHFFFAOYSA-N 286.419 3.580 30 20 CHED C=C(C)CSCC(=O)N1CCc2sccc2[C@H]1CC 182770402 XEDQXINYELHJSB-CYBMUJFWSA-N 295.473 3.893 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1ccncc1 187361586 WKXKASBIQIXYNS-QGZVFWFLSA-N 297.789 3.944 30 20 CHED C=C(C)CCc1noc(CCCc2cccs2)n1 508604418 MNQCGZNZDACRJI-UHFFFAOYSA-N 262.378 3.815 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416112643 VZKSJLPPQCPSRD-FMEYXAORSA-N 296.414 3.878 30 20 CHED Cc1ccnc2[nH]c(S[C@H](C#N)C3CCCCC3)nc12 329967805 VSEYASVGYRZVMG-GFCCVEGCSA-N 286.404 3.831 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)C1CCCCCC1 410999702 IEFPSIZFMPGUMM-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C=CCC[C@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)C1CC1 414314190 LCNPBROEQCFCHZ-IRXDYDNUSA-N 284.403 3.794 30 20 CHED CCCCC/C(O)=N/S(=O)(=O)c1ccc(C)c(C)c1 46929740 CCTRISFLRWTXHI-UHFFFAOYSA-N 283.393 3.529 30 20 CHED N#Cc1ccc(SCCCO[C@@H]2CCCCO2)cc1 412993213 NYSWYHKNDWUXHW-OAHLLOKOSA-N 277.389 3.584 30 20 CHED CC(C)Oc1cccc(CNCc2cccc(C#N)c2)c1 40443740 PYHWTLIULJFSAB-UHFFFAOYSA-N 280.371 3.635 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Oc1cccc2ccccc12 194836640 FEKISZRGXZIDLB-CQSZACIVSA-N 283.371 3.642 30 20 CHED Cc1noc(C)c1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329680999 WRJGHTQXNHLFAH-YNEHKIRRSA-N 262.353 3.565 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C/SCc1ccco1 84971666 LFUUTJKPWKXELM-SOFGYWHQSA-N 298.367 3.845 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(Cl)ccc1OC(F)F 610728943 PWPSOZQDCZOSNR-VIFPVBQESA-N 288.725 3.675 30 20 CHED CC(C)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1F 610969990 BRZKFINVXRGYKX-HOCLYGCPSA-N 260.356 3.612 30 20 CHED N#CCc1cccc(C(=O)Oc2cccc3ncccc23)c1 192592962 SOQJMKPTVLZSBA-UHFFFAOYSA-N 288.306 3.520 30 20 CHED Cc1ccncc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 611327084 HNTHBBCIWFYYQA-KGLIPLIRSA-N 265.360 3.674 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc3scnc3c2)C1 193355851 VHFYBEJZQNFHSW-QWRGUYRKSA-N 257.362 3.791 30 20 CHED N#CCC[C@H](N[C@@H]1C[C@H](N)c2ccccc21)c1ccccc1 423001094 WLMSTQGLYNKEPB-GBESFXJTSA-N 291.398 3.766 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@@H]1CCCC[C@H]1C 512808779 RGPITKDVAQZFFC-CABCVRRESA-N 266.429 3.810 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccc(C#N)cn2)c1 48625953 NJGCCYWSBBKCHK-MRXNPFEDSA-N 263.344 3.603 30 20 CHED Cc1csc([C@H](C)/N=C(/O)c2oc(C3CC3)nc2C)n1 329782047 NQIRNVCDRDDATL-VIFPVBQESA-N 291.376 3.691 30 20 CHED Cc1cccc([C@H]2CCCN2c2ncccc2C#N)c1 48625947 MXOWFKMWRXDMIH-MRXNPFEDSA-N 263.344 3.603 30 20 CHED C=C(C)CCNC(=O)c1cc(Br)c(C)s1 424859098 CQIMVSJTCBVYIR-UHFFFAOYSA-N 288.210 3.515 30 20 CHED C#CCCCC(=O)Nc1c(C)cc(Br)cc1C 192186291 ABGARVGQOLXOEY-UHFFFAOYSA-N 294.192 3.808 30 20 CHED C=CCCC(=O)Nc1ccc(CN2CCC(C)CC2)cc1 338672755 JZFOZIZNQXJZFE-UHFFFAOYSA-N 286.419 3.823 30 20 CHED N#CC1CCN(Cc2c(Cl)oc3ccccc23)CC1 335856531 NOQKMYRVSZNGER-UHFFFAOYSA-N 274.751 3.822 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)N(C)c2cccc(C#N)c2)C1(C)C 143574354 UCRMHOWHCNPYHE-JKSUJKDBSA-N 282.387 3.759 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2cnco2)cc1 336462070 WJWIQFSIUXCIRB-OAHLLOKOSA-N 282.343 3.522 30 20 CHED Cc1ncc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 336834223 FPAYAFDUCXSMTQ-SJORKVTESA-N 297.427 3.723 30 20 CHED N#CCC1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 336588136 PEFWMKNSOGOITQ-UHFFFAOYSA-N 293.292 3.707 30 20 CHED Cc1cccnc1CN1CC=C(c2ccc(C#N)cc2)CC1 334334079 WJZXAOPTIZXYFP-UHFFFAOYSA-N 289.382 3.551 30 20 CHED CC(C)[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 336581673 XEZIYCSKGBDWML-CQSZACIVSA-N 299.418 3.998 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)s1 96577653 NDZFAGSMLIYXHT-WAYWQWQTSA-N 286.352 3.724 30 20 CHED C=CCNC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 514917025 HQTRCWNOIUMTLG-MRXNPFEDSA-N 274.408 3.992 30 20 CHED CCc1cccc(NC(=O)[C@H](C#N)CCc2ccccc2)c1 433102287 DDRITUSDUPCXAA-KRWDZBQOSA-N 292.382 3.960 30 20 CHED CCCC(=C/C(O)=N/S(=O)(=O)c1ccccc1)CCC 92692798 NHSFAKJPSIZGEN-UHFFFAOYSA-N 295.404 3.858 30 20 CHED C=CCCC(=O)NC(Cc1ccccc1)Cc1ccccc1 523223655 NWQHXKVEXHZKNQ-UHFFFAOYSA-N 293.410 3.923 30 20 CHED CCC[C@H](C(=O)Nc1ccc(COC)c(C#N)c1)C(C)C 529817738 PQHWYIWJHCQBAP-INIZCTEOSA-N 288.391 3.715 30 20 CHED CCOc1cc(Cl)ccc1CNc1cc(C#N)ccn1 342802107 IJVFYGPMBVFRDB-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 248551630 ISEUGGDVSGMSSN-JLSDUUJJSA-N 286.419 3.803 30 20 CHED CC(C)(CCC#N)CN[C@@H]1Cc2ccc(Cl)cc2C1 348223000 XGVCMZZPOIEJFJ-OAHLLOKOSA-N 276.811 3.727 30 20 CHED C=CCN(C(=O)c1cc(F)ccc1OC)c1ccccc1 247920122 XPPIEBYRSZOEII-UHFFFAOYSA-N 285.318 3.667 30 20 CHED N#Cc1ccnc(N2CCC[C@H](c3ccccc3)C2)c1Cl 431500927 UZYPAOYJLWVGDY-HNNXBMFYSA-N 297.789 3.991 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(CC(C)C)CCCC1 437485174 XNXWMJPAKUPDCO-JKSUJKDBSA-N 293.451 3.690 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 523967338 KWFPCUQTVSAFRH-KGLIPLIRSA-N 289.419 3.832 30 20 CHED C[C@@H](CCC#N)N1CCC[C@]2(CCc3ccccc3O2)C1 528729799 OAWPAHNHQKTRJO-YJBOKZPZSA-N 284.403 3.538 30 20 CHED CC[C@H](CC(=O)N[C@H](C#N)CC(C)C)c1ccc(C)cc1 609988557 GAVNURYIUGEXHX-WBVHZDCISA-N 286.419 3.933 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CCC)Cc1ccc(F)cc1 346280060 RAZOKBGWHKDXOE-AWEZNQCLSA-N 293.382 3.546 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)c1cccnc1 254521317 SHDAOTAETWZKIH-UHFFFAOYSA-N 283.334 3.934 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)/C=C\c2cccnc2)n1 255414165 JBBKLFWSKWSVLS-SZZPACECSA-N 297.383 3.551 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nnc(C(CC)CC)s1 343993338 ZDZJJKGYDBBPBS-CQSZACIVSA-N 281.425 3.983 30 20 CHED CCc1nnc(S[C@H](C#N)CCc2ccccc2)s1 601087864 JROKTZFUVKUPBI-LBPRGKRZSA-N 289.429 3.718 30 20 CHED N#Cc1ccc(/C=C\c2ccc(Br)s2)nc1 255057065 JWJVIAQGPGGWMI-ARJAWSKDSA-N 291.173 3.948 30 20 CHED COC[C@@H](C)N(CC1(CC#N)CC1)[C@@H]1CCc2ccccc21 602915347 BGRRIFHUIBGEAL-CRAIPNDOSA-N 298.430 3.705 30 20 CHED COc1cccc(CON=Cc2ccc(C)cc2)c1 255420305 JRZQTWLNYOMHQM-UHFFFAOYSA-N 255.317 3.554 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Sc1ccc(C)cc1 342534143 VBIUTTLLYSQZKZ-CYBMUJFWSA-N 263.406 3.510 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C)cnc1Cl 298052974 QKHSTGIILRTNPY-UHFFFAOYSA-N 252.745 3.584 30 20 CHED C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CCC[C@H]1C 255546069 USLHBNPYSSIHEK-KEYYUXOJSA-N 299.418 3.524 30 20 CHED CC1(C)CCc2ccccc2[C@@H](NC(=O)NCCCC#N)C1 441022149 BSNQQBIFUORART-INIZCTEOSA-N 299.418 3.693 30 20 CHED CCCc1ccc(CN2CCC(CC#N)CC2)cc1 541951661 GZRZWMOXAJKAHI-UHFFFAOYSA-N 256.393 3.765 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)c(NC(C)=O)c1 359075507 SWCPYNVQPZNQCD-UHFFFAOYSA-N 280.755 3.593 30 20 CHED Cc1ccc2c(c1)N(c1cccc(F)c1C#N)CC2 608778930 JLHYJNBJVLUHIH-UHFFFAOYSA-N 252.292 3.700 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCC(C)(C)C1=CCCC1 602686737 HHIYAMFKYDUMGL-HNNXBMFYSA-N 290.451 3.811 30 20 CHED C[C@@H](CCC#N)CNC[C@H](C)Oc1ccc(Cl)cc1 602567696 NCPKYFSSDZEYRH-STQMWFEESA-N 280.799 3.637 30 20 CHED C[C@H]1COc2ccccc2CN1CCCCC(C)(C)C#N 444690974 WIAHIILKINTTOD-HNNXBMFYSA-N 286.419 3.990 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 617784457 SKTCCYPSPREBGX-AWEZNQCLSA-N 287.378 3.672 30 20 CHED Cc1ccncc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618802375 JFEDBKBNUKTKGX-FZKQIMNGSA-N 277.371 3.600 30 20 CHED Cc1[nH]nc(NC(=O)CC(C)(C)C2CCCCC2)c1C#N 357261454 QTALTPAPVSQQHV-UHFFFAOYSA-N 288.395 3.525 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C2=CCCC2)cc1 355689922 NQKKRNHPYLCVBS-UHFFFAOYSA-N 255.361 3.902 30 20 CHED CC(C)OC1CCN(c2c(C#N)cnc3ccccc23)CC1 531153507 PTNNNOXSJXPOKY-UHFFFAOYSA-N 295.386 3.500 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccc(F)cc1F)C(C)(C)C 538223790 CIBFXPKQVCVJHH-CZUORRHYSA-N 297.389 3.969 30 20 CHED N#C[C@@H]1CCC[C@@H]1NCc1cnc(-c2ccsc2)s1 350394689 RUAKZWVQQHLJGW-GWCFXTLKSA-N 289.429 3.653 30 20 CHED C[C@@H](C#N)CN(C)C(=O)C(C)(C)c1ccc2ccccc2c1 610239064 IBBYUXSHHRYEAU-AWEZNQCLSA-N 294.398 3.735 30 20 CHED CC(C)[C@H](C(=O)N(C)C[C@@H](C)C#N)c1cccc(Cl)c1 267181026 HMIFRIIBQLTJIV-WFASDCNBSA-N 292.810 3.698 30 20 CHED CCCC[C@H](CC)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618788740 ZGHXATQZEJBPLP-WMLDXEAASA-N 284.403 3.878 30 20 CHED C=CCC[C@@H](CO)N[C@@H](CC)c1ccccc1OC(F)F 453377544 XXAHWTCBQGOHAN-JSGCOSHPSA-N 299.361 3.656 30 20 CHED CCn1c(-c2ccc(OC)c(C)c2)nc2cc(C#N)ccc21 534628673 MTXXPFUGLLHBQL-UHFFFAOYSA-N 291.354 3.912 30 20 CHED CC(C)CCCCC(=O)Nc1cccc(CC#N)c1 457872800 KZAZBHGAGIBAFT-UHFFFAOYSA-N 258.365 3.908 30 20 CHED C[C@]1(C#N)CCCN(Cc2cccc(OC(F)(F)F)c2)C1 612406840 VJTZCTUQTXLJAE-CQSZACIVSA-N 298.308 3.711 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(C)c1Cl)OCC 270174537 LRXUCWROLPIPOV-CYBMUJFWSA-N 281.783 3.958 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1cccc(Cl)c1 545986801 APELPYZTWRUMGG-CYBMUJFWSA-N 281.783 3.580 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 450174812 UQTIKPXPTWWONM-AWEZNQCLSA-N 257.377 3.737 30 20 CHED CCOc1ccc2nc(S[C@H]3CC[C@H](C#N)C3)[nH]c2c1 450621283 ICGBIXFJEKBFSB-JQWIXIFHSA-N 287.388 3.746 30 20 CHED CC1(C)CCc2cc(CN3CCC(CC#N)CC3)ccc2O1 543779236 DUGNJZMMOBUEKY-UHFFFAOYSA-N 298.430 3.916 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC12CCC2 271569829 PREGWFBHVZFPIH-AWEZNQCLSA-N 297.402 3.797 30 20 CHED N#Cc1ccc(N[C@@H]2CC23CCOCC3)c(C(F)(F)F)c1 450790142 GOSFPYKXAXDJOE-CYBMUJFWSA-N 296.292 3.558 30 20 CHED CCN(Cc1ccc(COC)o1)[C@@H](C)c1ccc(C#N)cc1 271098757 OHWLURLRKMCGGY-AWEZNQCLSA-N 298.386 3.881 30 20 CHED C=CCC1(C(=O)Nc2sc(C)nc2C)CCCC1 450079239 SFGARQVWRKRRGW-UHFFFAOYSA-N 264.394 3.835 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(Cl)c(C#N)c1 543454907 NFBBFTAGAXKWRB-GWCFXTLKSA-N 276.767 3.615 30 20 CHED C#CCN(C)C(=O)Nc1ccccc1SC1CCCC1 278638923 OVADLKTWEAKKJZ-UHFFFAOYSA-N 288.416 3.818 30 20 CHED CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C 459774163 VUANYKDTOVRYKL-KGLIPLIRSA-N 292.448 3.692 30 20 CHED C[C@H](O)CN(CCCCC(C)(C)C#N)c1ccccc1 277746779 PGAVCVKWIIZNIU-HNNXBMFYSA-N 274.408 3.594 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 452400752 VUXQRDSTUJLISO-HOTGVXAUSA-N 271.404 3.899 30 20 CHED C=CCC[C@@H](NCc1ccc2c(c1)OCO2)c1ccco1 276438759 KDWNODUYDBVCNP-CQSZACIVSA-N 285.343 3.805 30 20 CHED N#Cc1cccc(N2CCC[C@@H](c3ccc(F)cc3)CC2)n1 540872531 YFCVWDNVQUNVJW-CQSZACIVSA-N 295.361 3.866 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 376098189 AJWQEEXDUOLBMB-UKPHBRMFSA-N 288.366 3.518 30 20 CHED C=C(C)C[C@@H](C)C(=O)N(CC(=O)OC(C)(C)C)[C@H](C)CC 466429266 WUMFRQMPNIWYBY-ZIAGYGMSSA-N 297.439 3.558 30 20 CHED CCCC[C@H](COC)Nc1ncc(Cl)c(C)c1C#N 542208881 UNYFDCHPIGDGMC-LLVKDONJSA-N 281.787 3.532 30 20 CHED N#CCc1ccc(CNC2(c3ccccc3)CCC2)cc1 541349366 LCWIJFZTNSNJDU-UHFFFAOYSA-N 276.383 3.922 30 20 CHED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CC(C)(C)C#N 278588593 SZLCBZBKJZMHGB-CQSZACIVSA-N 284.403 3.754 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CC[C@@H]2c2ccccc2)c1 375605077 ILBFYZPXICPJNS-MRXNPFEDSA-N 296.757 3.799 30 20 CHED COc1cccc([C@@H]2CCCN2c2cc(C#N)cc(C)n2)c1 370552385 SJNQZDVTULGIRJ-KRWDZBQOSA-N 293.370 3.612 30 20 CHED C=C[C@H](C)NC(=O)N1CC[C@](C)(CCc2ccccc2)C1 464749751 FEWDCXDVCBBRNE-YJBOKZPZSA-N 286.419 3.615 30 20 CHED CCCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](C)CC 284155657 FLKDMHBNCXTMJV-GFCCVEGCSA-N 276.355 3.738 30 20 CHED C=C(C)C[C@H](C)C(=O)NCCCOc1c(C)cccc1C 464441723 ZYNBNEDFEFADEG-INIZCTEOSA-N 289.419 3.791 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCCCc2ccccc21 460475249 JIFYXBUNLNVDQH-OAHLLOKOSA-N 287.403 3.727 30 20 CHED CC#CCCCC(=O)N1CCCc2c(C)cc(C)cc21 466438732 OUJBMJSVAIAQJG-UHFFFAOYSA-N 269.388 3.776 30 20 CHED C[C@H]1CCCC[C@@H]1OCCNc1ccc(F)cc1C#N 462790725 MPSBSIBHNVJAQP-LRDDRELGSA-N 276.355 3.705 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(F)c(F)cc1Cl 281430287 QOYJYQLDUTVYGD-QMMMGPOBSA-N 273.710 3.703 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(F)c(C#N)c1 551562324 YLMNLARETUMMLD-NSHDSACASA-N 276.355 3.642 30 20 CHED C=CCC(CC=C)C(=O)NCC(C)(C)C(C)(C)C 554378168 OFYHVHAACMMRHB-UHFFFAOYSA-N 251.414 3.943 30 20 CHED CCCC[C@H](COC)Nc1nc(C)c(C#N)cc1Cl 461972797 KYAPUJZARQDHGY-GFCCVEGCSA-N 281.787 3.532 30 20 CHED C[C@H]1CCN(c2ncccc2C#N)CC12CCCCC2 462694540 DLIYZSAVHHGAGI-AWEZNQCLSA-N 269.392 3.750 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C)CC1 559008157 ZMBHZXSIBMDEAR-AWEZNQCLSA-N 276.428 3.604 30 20 CHED Cc1c(C(=O)N[C@](C)(C#N)C(C)C)oc2ccc(F)cc12 283835265 HARLNYYTSVIDIE-MRXNPFEDSA-N 288.322 3.548 30 20 CHED Cc1ccnc([C@H](C)Nc2ccccc2O[C@@H](C)C#N)c1 286272893 VPRIREUHVHLJCO-KBPBESRZSA-N 281.359 3.854 30 20 CHED C[C@@]1(c2ccccc2)CCCN(C(=O)C2(C#N)CCC2)CC1 285933306 HGUHWJNKVUGEMO-GOSISDBHSA-N 296.414 3.651 30 20 CHED COc1cccc(C[C@H]2CCCN2CCC(C)(C)C#N)c1 553708785 NBROWCCFCCPADN-MRXNPFEDSA-N 286.419 3.642 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H](C)C(C)(F)F)cc1 293243292 LKOGWUSOHXDZFO-LBPRGKRZSA-N 280.318 3.533 30 20 CHED CC(=NN[C@H]1CCSC1)c1cc(Cl)sc1Cl 808001250 HUIQEUZAEAMVIL-ZETCQYMHSA-N 295.260 3.874 30 20 CHED C=C(Cl)COC(=O)CCc1ccc(Cl)cc1 805903260 VQJFYRGEBOWGCO-UHFFFAOYSA-N 259.132 3.568 30 20 CHED CCOc1c(Cl)cccc1/C=C/C(=O)c1cc(C)on1 806555423 DCRYRNDZWRKSPL-BQYQJAHWSA-N 291.734 3.931 30 20 CHED CSC[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 292405840 LOSMSVNSYKQDKR-ZFWWWQNUSA-N 274.433 3.694 30 20 CHED CCSc1cccc(F)c1NC(=O)N(C)C[C@@H](C)C#N 290234575 ZRLMIJQKBZGACT-JTQLQIEISA-N 295.383 3.561 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 296723903 NGLUCDOOVOQTHF-LBPRGKRZSA-N 275.352 3.575 30 20 CHED C[C@H](C#N)N(C)C(=O)C1(Cc2cccs2)CCCCC1 297939748 SVFZNVBBCPPMAX-CYBMUJFWSA-N 290.432 3.612 30 20 CHED C=CCC1(C(=O)N2CCCOC(C)(C)C2)CCCCC1 648946213 FEPNESJRNUPACK-UHFFFAOYSA-N 279.424 3.541 30 20 CHED C=CCCCCCCNC(=O)N(C)C(C)(C)CC 805104394 QJMNEGZVQDBSOW-UHFFFAOYSA-N 254.418 3.953 30 20 CHED C=CC[C@H](OC(=O)/C=C\c1ccc[nH]1)c1ccccc1 802186999 XRIVBISLCWEJPG-JNSOCZORSA-N 267.328 3.889 30 20 CHED CCCN(CC#N)Cc1ccc(Sc2ccccn2)o1 295435773 UBTCLHUEFZPDAE-UHFFFAOYSA-N 287.388 3.561 30 20 CHED C=CCCCCCCNC(=O)N1CCc2ccccc2C1 806004177 LEWALXCEJOLEJP-UHFFFAOYSA-N 286.419 3.891 30 20 CHED C=C(CC)CSc1ccc(OCCOC)cc1 472197764 USGGJCTTZJVSAA-UHFFFAOYSA-N 252.379 3.770 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CCc2ccsc2)cc1 290271314 WMPWFLXJPODHLZ-INIZCTEOSA-N 298.411 3.624 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C#N)c1 474083453 WGWLXILZNFRJCO-HIFRSBDPSA-N 256.349 3.713 30 20 CHED CC(Cc1ccc(-c2ccccc2)cc1)=NNc1nc[nH]n1 807997832 DHYCEGZJWQTXOO-UHFFFAOYSA-N 291.358 3.502 30 20 CHED CC(C)C[C@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 804549531 GLEOMMFCLKLOBB-SNVBAGLBSA-N 283.828 3.931 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1NC1CCCCC1 479283984 IHCLCWUFWAGMNZ-ZDUSSCGKSA-N 272.392 3.736 30 20 CHED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CCOCC1 561133096 ZBWBPOHERZJQNH-OALUTQOASA-N 298.430 3.730 30 20 CHED C=CCCCc1nc(C2(c3ccccc3OC)CC2)no1 560027588 HMLXDHHEFPUYJH-UHFFFAOYSA-N 284.359 3.667 30 20 CHED CC(C)(C)c1ccccc1C(=O)N1CCC[C@H](CC#N)C1 397708141 SBJRMAOJGJHBDN-CQSZACIVSA-N 284.403 3.750 30 20 CHED Cc1cc(C)nc(NN=C2CCC3(CCCC3)CC2)n1 811629040 RPMFKVWTCOQRJY-UHFFFAOYSA-N 272.396 3.996 30 20 CHED C=CCNC(=O)Nc1ccccc1COCc1ccccc1 642690358 BIIFKTJBJOEGSA-UHFFFAOYSA-N 296.370 3.711 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@@H]1C=CCC1 482754449 YZEXXZJNOCADSC-OAHLLOKOSA-N 261.409 3.938 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1[C@@H](C)CCC 815830466 CFUWHAZYEWMKCR-RYUDHWBXSA-N 259.340 3.625 30 20 CHED CC[C@@H](CC#N)NCc1coc(-c2ccc(Cl)cc2)n1 569118285 VGRKFDZVAFGMSY-ZDUSSCGKSA-N 289.766 3.777 30 20 CHED C=CCCCNCc1nc(C(C)C)n2ccccc12 578241448 HAMXKVZGVCXZRT-UHFFFAOYSA-N 257.381 3.514 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OCCCC)nc1 482544874 VZTDKZLWYQEXSU-UHFFFAOYSA-N 291.395 3.690 30 20 CHED Clc1cnc(NN=C2C[C@H]3CC[C@H]2C3)c(Cl)c1 814739848 CJTIYWQZFVBLFD-YUMQZZPRSA-N 270.163 3.976 30 20 CHED CC(C)[C@@H]1CC(=NNc2c(F)cccc2F)CS1 814852625 IJBKLMMCDOKWTN-LBPRGKRZSA-N 270.348 3.894 30 20 CHED CC[C@@H]1CCc2ccccc2N1CCCSCC#N 482987503 DYKFAAXECWBIMQ-OAHLLOKOSA-N 274.433 3.865 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CCc2ccccc2C1 571450787 WLPXXJYCEHWQSI-KRWDZBQOSA-N 298.430 3.770 30 20 CHED Cc1cnccc1SCCCOc1ccc(C#N)cc1 814808188 YBLPWTBWDFKEIA-UHFFFAOYSA-N 284.384 3.823 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](c1ccccc1C)C1CC1 815579160 GDBDAUHGSATYKB-CQSZACIVSA-N 279.330 3.774 30 20 CHED Cc1ccc2ncc(C#N)c(OCCCCCCCO)c2c1 813577124 HDSKUBJYYAWPLN-UHFFFAOYSA-N 298.386 3.737 30 20 CHED C[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1Cl 729145060 HMYAVAPVIFXGAI-QMMMGPOBSA-N 267.716 3.836 30 20 CHED CCOC(=O)c1ccc(NN=C(C)C2CCC2)cc1C 812229948 QSHXEDSRQBVZGC-UHFFFAOYSA-N 274.364 3.760 30 20 CHED Fc1cc(C=NOCC2CC2)cc(C(F)(F)F)c1 814244357 PGFSKTAAAUPQSD-UHFFFAOYSA-N 261.218 3.605 30 20 CHED C=C(C)COC(=O)[C@H](OC1CCCC1)c1ccccc1 727017999 QFTMAHNSVSWVIS-MRXNPFEDSA-N 274.360 3.806 30 20 CHED N#Cc1ccc(NC(=O)NC2CCCCCC2)cc1F 572652600 HCXGZWQJRVTBKI-UHFFFAOYSA-N 275.327 3.542 30 20 CHED CCc1cc(C#N)ccc1OCc1ccc(Cl)cn1 570791282 QNQZQDSUGWGLCJ-UHFFFAOYSA-N 272.735 3.748 30 20 CHED C[C@@H](Nc1ccc(N(C)C(=O)O)cc1)c1ccc(C#N)cc1 827773263 FWOKABJJEUJYQY-GFCCVEGCSA-N 295.342 3.846 30 20 CHED CCCNN=Cc1cccc(-c2ccccc2C)c1 729637265 JRBTXQZENIIDBO-UHFFFAOYSA-N 252.361 3.996 30 20 CHED C=CCCCOC(=O)c1ccccc1Br 735523401 MBKYCRWLYRVSPG-UHFFFAOYSA-N 269.138 3.572 30 20 CHED C=CCOCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 574586586 FZKNBUVCCPNZBD-UHFFFAOYSA-N 293.357 3.647 30 20 CHED N#Cc1nc(N[C@@H]2CCc3ccccc32)sc1Cl 820608811 AAARNRTYKAZYHG-SNVBAGLBSA-N 275.764 3.768 30 20 CHED N#Cc1ccc(/C=C2/CCOc3cc(F)ccc3C2=O)cc1 588419312 DRHFHSWVVHPOJX-ZROIWOOFSA-N 293.297 3.746 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(-c2ccco2)cc1F 491738519 FZNZJUAPLXTTEP-NSHDSACASA-N 286.306 3.571 30 20 CHED C=C(CC)Cn1ccc(=O)c(OCc2ccccc2)c1C 664091045 LXAFFUSJEVJZMA-UHFFFAOYSA-N 283.371 3.702 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC2(CCSCC2)CC1 828014523 JVAYGBHEHJRKAO-CQSZACIVSA-N 281.465 3.725 30 20 CHED CC(C)Cn1ncc(N[C@@H]2CCC[C@@H](C#N)C2)c1C1CC1 588232844 WVNHIELBMKWBMR-UKRRQHHQSA-N 286.423 3.911 30 20 CHED C=C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)CC1 668303918 YDRMUNAALFBEKH-DLBZAZTESA-N 269.388 3.586 30 20 CHED C=C(CNc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 588840832 QRRZVSYZPKCJCZ-UHFFFAOYSA-N 284.315 3.729 30 20 CHED Cc1cccc(C=NNCc2ccc(F)c(F)c2)c1C 731151840 PRZOTAFBWPLYNJ-UHFFFAOYSA-N 274.314 3.705 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCc2cccc(F)c2F)C1 839048021 BNVWXWAUSSDZGX-AAEUAGOBSA-N 293.313 3.523 30 20 CHED Clc1nccnc1NN=C1CC[C@@H]2CCCC[C@@H]2C1 733079542 MHAAUTZYKYONLA-WDEREUQCSA-N 278.787 3.888 30 20 CHED C#Cc1cncc(C(=O)N2CC[C@@H](C)c3cccc(C)c32)c1 839386020 JOUXZVCENRFZFE-CYBMUJFWSA-N 290.366 3.525 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1C 731155871 WADAPJDFTVOLMG-SOFGYWHQSA-N 280.323 3.928 30 20 CHED C=CCN(C(=O)NC[C@@H](c1ccccc1)C1CC1)C(C)C 838601628 JHJKWUNQFIZKJP-KRWDZBQOSA-N 286.419 3.786 30 20 CHED C=CCN1CCC(CCc2ccc(OCC)cc2)CC1 671310144 ZBWLFUNHIWLKQO-UHFFFAOYSA-N 273.420 3.916 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)c1ccccc1F 731211993 MSBGKXMGMREVDM-UHFFFAOYSA-N 284.334 3.755 30 20 CHED CCc1ccc(C(=O)/C=C/c2cncn2C(C)C)o1 901482764 WDRSIFPVOFYAQH-FNORWQNLSA-N 258.321 3.516 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC(F)(F)F)C1CCCC1 903737334 RINBTWNKRDKMKV-NSHDSACASA-N 277.330 3.922 30 20 CHED C=C(C)CCN1CCC(Oc2ccc(Cl)cn2)CC1 839202852 QFGZXSPCNBMFDY-UHFFFAOYSA-N 280.799 3.544 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccsc1 131763819 RNFBUHBVEABQNW-SECBINFHSA-N 273.317 3.701 30 20 CHED C#CCOc1ccccc1[C@@H](C)OC(=O)/C=C\c1ccco1 730424626 GFMOFUIGOJKESW-IWMPZKFUSA-N 296.322 3.609 30 20 CHED C=CCc1cc(OCC)cc(CN(CC)C2CC2)c1O 919939905 JPHBIPJZDGNYNH-UHFFFAOYSA-N 275.392 3.504 30 20 CHED CC1(C#N)CCC(=NNc2ccc(C(F)(F)F)cn2)CC1 834920021 FPSLFWBEXBMEAD-UHFFFAOYSA-N 296.296 3.972 30 20 CHED C#CCOc1ccc(CN[C@@H](C)Cc2ccc(C)s2)cc1 738435252 DPMMKWBVOUWTOF-AWEZNQCLSA-N 299.439 3.789 30 20 CHED C=CCN(C(=S)Nc1cccc(CC)c1)C(C)C 917589301 PXLSPLGCJHTQMB-UHFFFAOYSA-N 262.422 3.842 30 20 CHED C=C(Cl)CNC(=O)N(CCC)Cc1ccc(C)cc1 736397905 KQIWYMWSZXIHCP-UHFFFAOYSA-N 280.799 3.669 30 20 CHED Oc1ccc(/C=N/CC2CCCCCCC2)c(O)c1O 917557864 DEWLICGMEDVUHO-GZTJUZNOSA-N 277.364 3.583 30 20 CHED C[C@H](C/N=C/c1cc(Cl)ccc1O)N1CCCCCC1 915979936 LPGUJPKBTTVMOC-RNEAKCBISA-N 294.826 3.729 30 20 CHED O=C(C#CC1CC1)N[C@H](Cc1ccccc1)c1ccccc1 837317190 PODMHDHZJIPCMU-LJQANCHMSA-N 289.378 3.500 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@H](C)Sc1ccccc1 599610341 GNYDLEAQVZPYRZ-ZDUSSCGKSA-N 290.432 3.613 30 20 CHED CC[C@H](CC#N)NCCCOc1ccc2ccccc2c1 594009443 OVUYDUYNIDTJJR-QGZVFWFLSA-N 282.387 3.891 30 20 CHED CCC[C@@H](NC(=O)CC1(C#N)CCCCC1)C1CCC1 597762506 AAVSYPPXKXRAMM-OAHLLOKOSA-N 276.424 3.936 30 20 CHED CC1=C(C)C[C@H](C(=O)N(C)c2ccc(C#N)cc2F)CC1 592588928 UIHCAXNZSHLJGG-CQSZACIVSA-N 286.350 3.797 30 20 CHED CCCCC(C)=NNC(=S)Nc1cccc(OC)c1 916298518 MBNCXOQZEDNLRE-UHFFFAOYSA-N 279.409 3.548 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccccc1 747641867 GSTQZTHXXFEVSU-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 916268865 BKJYCSIPZBQZJZ-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C#N)CC)o1 593494999 BYADGGYJUSJDLY-NFAWXSAZSA-N 288.391 3.691 30 20 CHED CCCC(C)(C)C(=O)O[C@@H](C)c1cccc(C#N)c1 845357721 RUPDIVWGQNXBNB-LBPRGKRZSA-N 259.349 3.989 30 20 CHED CC(=NNCc1ccc(C(F)(F)F)cc1)c1cccnc1 915972856 WHHXHBBPPKATSJ-UHFFFAOYSA-N 293.292 3.614 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 674957059 QVOWHGFWXIEDFF-IUCAKERBSA-N 272.175 3.788 30 20 CHED Cc1cccc(N(C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 593976951 MAYQQRBPDGYEPN-HNNXBMFYSA-N 292.382 3.708 30 20 CHED C[C@H]1CC[C@H](C(=O)OC[C@H](C#N)Cc2cccs2)CC1 845502880 PMOHUXRQQZWTAG-IHRRRGAJSA-N 291.416 3.800 30 20 CHED C=C(C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C 744299549 HAUZITQAQUEYGE-UHFFFAOYSA-N 284.359 3.612 30 20 CHED CCCCc1ccc(C(=O)/C=C/c2cnnn2CC)cc1 841487366 MJAVVLQINDVAAO-VAWYXSNFSA-N 283.375 3.537 30 20 CHED CC(C)(CCC#N)COC(=O)c1cccc2ccncc12 842784964 IYAYDYJFNJNFQJ-UHFFFAOYSA-N 282.343 3.722 30 20 CHED CCCCCCCCNC1CCN(C[C@H]2CCCO2)CC1 848532228 ARQWLASWUWPGAI-GOSISDBHSA-N 296.499 3.580 30 20 CHED CCC#C[C@@H](C)N1CCCn2c(cc3ccccc32)C1 672579259 RJOFHDRTEQGSIN-OAHLLOKOSA-N 266.388 3.649 30 20 CHED N#CC1(Cc2nc(CC3CCCC3)no2)CCCCC1 596603903 ZJHXFPYIDRUKHH-UHFFFAOYSA-N 273.380 3.819 30 20 CHED CC(C)(C)CCCCNC(=O)N1CCC[C@@H](CC#N)C1 595496148 WWJUYQNMLRBSKO-AWEZNQCLSA-N 279.428 3.538 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H](CC#N)C2)c2ccccc12 597902765 UQLIPQQLXDDXJA-OAHLLOKOSA-N 292.382 3.914 30 20 CHED Cc1ccc(OCC/N=C\c2ccccc2O)c(C)c1 743340406 DQGIFKGAEFCFEH-PDGQHHTCSA-N 269.344 3.507 30 20 CHED CCOc1ccc(CSCCc2ccc(C#N)cc2)nc1 596344212 FMGBSIWEDGJOMN-UHFFFAOYSA-N 298.411 3.828 30 20 CHED CCC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 593990141 DBKYXFXIDBXEBN-MAUKXSAKSA-N 298.430 3.776 30 20 CHED CCC1(CNC(=O)N2CCC[C@@H](CC#N)C2)CCCCC1 596564228 RBVNQJXEICZDRW-HNNXBMFYSA-N 291.439 3.682 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1c[nH]nc1CC 918678710 NQVHLJUGKDDAGW-CYBMUJFWSA-N 279.428 3.699 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCCCCc1cccs1 594090988 YKENTVVXYHACOO-ZDUSSCGKSA-N 278.421 3.612 30 20 CHED C/C=C/c1ccc(OCC2(CC#N)CC2)c(OC)c1 596239934 QHXOGACACMCBJI-ONEGZZNKSA-N 257.333 3.801 30 20 CHED C[C@@H](NCc1cccc(O)c1Cl)c1cccc(C#N)c1 590186876 RBYYYQWYUANWFR-LLVKDONJSA-N 286.762 3.768 30 20 CHED CC(CCc1ccc2c(c1)OCO2)=NNc1ccccc1 916245921 LLGPJJXXXAMBPG-UHFFFAOYSA-N 282.343 3.836 30 20 CHED CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C#N)CC)o1 593494952 BYADGGYJUSJDLY-GUTXKFCHSA-N 288.391 3.691 30 20 CHED CCCCCCCCC(=O)NCC1CCN(CC)CC1 919926985 MLEYVTIWNOPLKK-UHFFFAOYSA-N 282.472 3.585 30 20 CHED N#CCCCCOC(=O)c1occc1COc1ccccc1 914619793 FYOUPLGTGSBIQK-UHFFFAOYSA-N 299.326 3.709 30 20 CHED CC(C)C(C)(C)CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 594010853 RAWSJSMKJVFVCR-CQSZACIVSA-N 286.419 3.535 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C\C2CCCC2)s1 843535977 YUCLKJHQPMPORK-FPLPWBNLSA-N 274.389 3.867 30 20 CHED C=C(Cl)CNC(=O)c1cc(Cl)ccc1OCCC 749397119 NYEOZTMYYGBCEG-UHFFFAOYSA-N 288.174 3.611 30 20 CHED C#Cc1cccc(NC(=O)NCCCC(C)(C)C)c1 740434976 QHXYWQXMBGAWQH-UHFFFAOYSA-N 258.365 3.616 30 20 CHED Cc1cc(CSCc2ccc(C#N)cc2C)nc(C)n1 596375194 ILRUVRSOVNVTIU-UHFFFAOYSA-N 283.400 3.707 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1cccc(OC)c1 840750878 YOHPWIXBMSOEMX-UHFFFAOYSA-N 278.421 3.584 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(C(F)F)cc1 923167549 VPHDUPMUZZXNCL-KBPBESRZSA-N 296.313 3.649 30 20 CHED CCCCCCCCC(=O)NCc1cccc(F)n1 749086685 OVOJOQRWVLGKAJ-UHFFFAOYSA-N 266.360 3.588 30 20 CHED CC(C)(C)c1ncc(/C=C\C(=O)OCCCCC#N)s1 744141007 QNLAFIHTSDEZBL-FPLPWBNLSA-N 292.404 3.691 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1C 757467673 IWKGABAJKHVXRU-YVMONPNESA-N 268.312 3.611 30 20 CHED Cc1cc(CNCc2cccc(C#N)c2)c(C)s1 49686737 AHQQXXZKEBRURL-UHFFFAOYSA-N 256.374 3.526 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NNc2cc(C)ccn2)c1 755771561 XOHBSPMEAWNIPA-UHFFFAOYSA-N 291.358 3.535 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)c1ccc(Cl)s1 750548571 LDJNWQSQZSNPCQ-ZETCQYMHSA-N 265.161 3.801 30 20 CHED N#CC1CCC(CNc2nc(Cl)cs2)CC1 858529937 RTQZINWHUNOCPI-UHFFFAOYSA-N 255.774 3.538 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)Cc2c(F)cccc21 921264762 YYLLSUJROKJRRX-XFFZJAGNSA-N 283.258 3.556 30 20 CHED CC1(C)C[C@@H](O)c2cc(-c3ccc(F)cc3C#N)ccc2O1 854188712 JEACXMBPUZMJDH-MRXNPFEDSA-N 297.329 3.959 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC[C@@H](C#N)C1 928219470 WQOVGQCOAKEHQH-OWCLPIDISA-N 296.414 3.738 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)cc1 756268390 PMKXLTTVJDUALK-UITAMQMPSA-N 265.287 3.902 30 20 CHED Cc1cc(C)cc(C=NN[C@@H](C)c2ccccc2)c1 921260011 NSSVVGTUUGPWOF-HNNXBMFYSA-N 252.361 3.988 30 20 CHED O=C(O)c1csc(C=NNc2ccc(Cl)cc2)c1 755461558 FZHVOZNNCLTYKM-UHFFFAOYSA-N 280.736 3.546 30 20 CHED C[C@H]1CC(CCOC(=O)c2ccc(C#N)cn2)C[C@H](C)C1 757068440 LEYMLHMHEBBXQD-CHWSQXEVSA-N 286.375 3.572 30 20 CHED C=C(C)COC(=O)CCCc1cc(C)sc1C 753400273 LLQLWDWPMIOLRP-UHFFFAOYSA-N 252.379 3.807 30 20 CHED CC(C)c1cccc2c1OCCC2=NNc1ccc(F)cn1 753922787 XZTGLKGTLMUKDE-UHFFFAOYSA-N 299.349 3.943 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C[C@@H](C)n1cccn1 851143613 MWPNIULQCRWGRW-RBSFLKMASA-N 276.380 3.512 30 20 CHED Cc1cc(C=NNc2ccc(Cl)c(F)c2)c(C)n1C 754950538 PNYURKZFPPHONG-UHFFFAOYSA-N 279.746 3.880 30 20 CHED CSc1ccc(/C=C/C(=O)N[C@](C)(C#N)C(C)C)s1 858978443 GYRGCBDNISVBLY-HZRUHFOJSA-N 294.445 3.538 30 20 CHED C=CCCNC(=O)c1ccc(C2SCCCS2)cc1 855380646 FVKQXWPLMWLRBD-UHFFFAOYSA-N 293.457 3.861 30 20 CHED CC(C)(C)[C@H]1C[C@H](NCc2cc(C#N)ccc2F)CS1 754145876 WBBLNFBYNDIOLD-DZGCQCFKSA-N 292.423 3.707 30 20 CHED C=CC[C@H](N[C@H]1CCc2cc(OC)ccc21)c1ccncc1 866268487 WTIUPERUHYTWSY-OALUTQOASA-N 294.398 3.985 30 20 CHED CCCCCCCNC(=O)Nc1ccn(C(C)C)n1 861047634 OGGNQWNBOHMWDG-UHFFFAOYSA-N 266.389 3.556 30 20 CHED C[C@H]1CC2(CCOCC2)CN1CCCCC1(C#N)CCC1 930823935 ZKLMKJCLQYCNMZ-INIZCTEOSA-N 290.451 3.742 30 20 CHED C[C@]1(C(=O)OCc2ccc(F)c(C#N)c2)C[C@H]2CC[C@H]1C2 860190113 OZQRPTIIWRJVJY-YLVFBTJISA-N 287.334 3.567 30 20 CHED CC1(CCC(=O)N(CCC#N)c2ccc(F)cc2)CC1 932317417 RPLACNLNPSBCAG-UHFFFAOYSA-N 274.339 3.653 30 20 CHED C(=NNCCCc1ccccc1)C1Cc2ccccc2C1 766450184 FTJAIENXOKAJAI-UHFFFAOYSA-N 278.399 3.610 30 20 CHED C[C@@H](C=NN1CCOC1=O)Cc1ccc(C(C)(C)C)cc1 863162899 FKNMGAPSZNPALC-CYBMUJFWSA-N 288.391 3.601 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccccc1Cl 860452820 VZJTYDDETXHYHI-UHFFFAOYSA-N 251.713 3.575 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNc1nc(-c2ccncc2)no1 769576209 UYYUEDCIZKFMAZ-NWDGAFQWSA-N 299.378 3.746 30 20 CHED CCCCCC[C@H](C)NN=C1CCCc2nc(O)ccc21 764697217 AGELKQLJDYOCDK-ZDUSSCGKSA-N 289.423 3.776 30 20 CHED CC#CC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 764440221 ZPDLTJIGSLRXIQ-OAHLLOKOSA-N 289.787 3.630 30 20 CHED COc1ccc(C/N=C/c2ccccc2O)cc1Cl 764412351 BJOVUGSQESCKRO-LICLKQGHSA-N 275.735 3.673 30 20 CHED C#C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 864020376 WCMDCRIMNHOPES-CQSZACIVSA-N 270.263 3.520 30 20 CHED C#CCC1(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)CCCCC1 862440313 ZWHPWCRVXNBBRG-ZIAGYGMSSA-N 297.389 3.710 30 20 CHED C#CCCCNc1ccccc1NC(=O)Cc1cccs1 766731705 YKHRIIGBKMOQJE-UHFFFAOYSA-N 298.411 3.755 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)NCCCCCC 766332513 PBVSNAUXESZIMJ-UHFFFAOYSA-N 291.391 3.570 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1scnc1C 764714219 BUFJEPGFJDIFNU-UHFFFAOYSA-N 279.796 3.619 30 20 CHED C[C@H]1CCC[C@H](C=NNc2nc(O)c3ccccc3n2)C1 768365731 BRBSWBIFPKKQKF-RYUDHWBXSA-N 284.363 3.559 30 20 CHED CCc1cccc(OC)c1COC(=O)C(C#N)(CC)CC 860698794 WGSXIUKWNMIXLY-UHFFFAOYSA-N 289.375 3.631 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1c1cc(C)ccc1C 762046368 AWEGZZBQHCDGSG-HNNXBMFYSA-N 292.810 3.902 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNc1cncc(Cl)n1 769569742 IFVMGOYWCMVFNV-VHSXEESVSA-N 266.776 3.744 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H]2CCc3ccccc3C2)n1 763181509 YRARZJMYTQJDJR-HNNXBMFYSA-N 295.411 3.615 30 20 CHED C#CCCCCCOC(=O)c1cc2ccccc2n1CC#N 760258779 GMBNCNCKGLHIBZ-UHFFFAOYSA-N 294.354 3.515 30 20 CHED C[C@@H](NN=Cc1c[nH]c2ccc(C#N)cc12)c1ccccc1 760252620 BUTKHKGFXLPMNV-CYBMUJFWSA-N 288.354 3.724 30 20 CHED O=C(CC#Cc1ccccc1)N[C@H]1C[C@@H]1C1CCCCC1 1116273670 LONMBSMJGJDSON-MSOLQXFVSA-N 281.399 3.513 30 20 CHED Cc1cc(C#N)ccc1OCc1coc(C(C)(C)C)n1 877876355 MEMWTYJRNOCFQT-UHFFFAOYSA-N 270.332 3.731 30 20 CHED C#CCCCCCC(=O)NCc1ccc(C)cc1C 779806974 KISJVIGQIUBTIS-UHFFFAOYSA-N 257.377 3.503 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCCC(F)(F)F 770756170 LMTNMLDXIZRCMI-UHFFFAOYSA-N 285.265 3.643 30 20 CHED CCCCCCCCCC(=O)Nc1ccc2nncn2c1 777419397 KAOXPJUNIGTZKZ-UHFFFAOYSA-N 288.395 3.809 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc(O)ccc1F 872058903 ZKXIISIATXIEFV-LBPRGKRZSA-N 296.345 3.743 30 20 CHED CCCCNN=C(C)c1ccc(OC)cc1Br 776186540 UXIYOAMVDCSXQE-UHFFFAOYSA-N 299.212 3.571 30 20 CHED CC(C)(C)Oc1ccc(CCNc2cc(C#N)ccn2)cc1 1117297200 OYCCUSFUYNXXAM-UHFFFAOYSA-N 295.386 3.785 30 20 CHED C#CCCCCC(=O)N1CCc2ccccc2[C@@H]1C(C)C 773457435 JMSXJWCAUUPSEP-IBGZPJMESA-N 283.415 3.962 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(SC(F)(F)F)o1 870310151 UOKGTKSSWPUARI-SSDOTTSWSA-N 293.266 3.741 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1F 776725543 CDUXAEWRJLKJDK-GQCTYLIASA-N 287.240 3.872 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N(CCC#N)CC(C)C)cc1 778661848 MATNDTQLWRSTRX-INIZCTEOSA-N 286.419 3.572 30 20 CHED Cc1nc(C)c(CC(=O)OCCCCC(C)(C)C#N)s1 885693610 RRJGGEDHSKCMBH-UHFFFAOYSA-N 294.420 3.566 30 20 CHED CCCCCCCC(=O)Oc1ccc2c(c1)OCCO2 888622392 HZFJESMWFQDHMW-UHFFFAOYSA-N 278.348 3.724 30 20 CHED C=C(C)CCC(=O)NCc1coc(-c2ccc(C)cc2)n1 1120762352 GQCTXVIUHLOQQT-UHFFFAOYSA-N 284.359 3.623 30 20 CHED C=CC[C@@H](C(=O)OCc1ccn(C(C)C)n1)c1ccccc1 778426200 DEQUOFSZMOSIDO-QGZVFWFLSA-N 298.386 3.867 30 20 CHED C[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)c1cccs1 776385406 DRVAXPSQGLCZMC-DGCLKSJQSA-N 277.389 3.867 30 20 CHED C=CCCC[C@H](NCc1c[nH]nc1C)c1ccccc1 883204951 LTMWBAHIHHSVKE-KRWDZBQOSA-N 269.392 3.905 30 20 CHED CCCCCCCN1CCC(c2cc(C)[nH]n2)CC1 782498450 TUBAYFPADLTQIJ-UHFFFAOYSA-N 263.429 3.868 30 20 CHED Cc1cccc(OC(=O)/C=C\c2ccccc2C#N)c1F 780081559 GEDIQCBUASVLNY-KTKRTIGZSA-N 281.286 3.625 30 20 CHED CCCCC[C@@](C)(CC)C(=O)[C@@H](C#N)c1nccn1C 1122607274 XXAYBLUPJZMYGT-CZUORRHYSA-N 275.396 3.593 30 20 CHED C/C(=C/C(=O)OC1(CC#N)CCC1)c1ccc(F)cc1 788134543 RVTUDNALNHOXOI-QXMHVHEDSA-N 273.307 3.609 30 20 CHED Fc1c(F)c(F)c(C=NOCCC2CC2)c(F)c1F 783556161 JKGMMYJTOBGPCW-UHFFFAOYSA-N 279.208 3.533 30 20 CHED C=CCC1(O)CCN(c2cc(CC)nc3ccccc23)CC1 884724331 PTCDEEHCAUUNKS-UHFFFAOYSA-N 296.414 3.705 30 20 CHED CCCCCC[C@H](C)NN=Cc1cc(C)ns1 785457411 LYQDKUWBLZAATA-NSHDSACASA-N 253.415 3.734 30 20 CHED Cc1cc(F)ccc1COC(=O)/C=C/c1ccccc1C#N 784268871 LBXXCTVTBFCVDA-VQHVLOKHSA-N 295.313 3.762 30 20 CHED Cc1cc(COC(=O)/C=C/c2ccsc2)ccc1C#N 782120579 YEXWISXULVEWRL-HWKANZROSA-N 283.352 3.685 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc([N+](=O)[O-])cc1Cl 782288892 SRMPTRFQYZSUPI-CYBMUJFWSA-N 295.770 3.750 30 20 CHED CCn1c(C(C)=NNC2CCCCC2)nc2ccccc21 786042330 RIQWYZNCOMTUEP-UHFFFAOYSA-N 284.407 3.703 30 20 CHED C[C@H]1/C(=C\c2cnn(C3CCC3)c2)C(=O)c2ccccc21 899372378 CQASFYCSMFYKAZ-UDPFGDFPSA-N 278.355 3.992 30 20 CHED C=CCC[C@H](C(=O)NC[C@H]1CCC=CO1)c1ccccc1 781068656 OAXASTPMWSKYFE-SJORKVTESA-N 285.387 3.545 30 20 CHED CC(C)(C#N)CCCOc1ccc([N+](=O)[O-])c(Cl)c1 87609042 WAMMBVCEWWXCHK-UHFFFAOYSA-N 282.727 3.957 30 20 CHED CC(=NNc1cc(C)nc(C)n1)C1CCC(F)(F)CC1 788712419 UETLOKCLMLFZJR-UHFFFAOYSA-N 282.338 3.707 30 20 CHED CSc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1 780188821 PPQYQCCCARMPAL-MDWZMJQESA-N 282.364 3.937 30 20 CHED C=CCCN[C@@H](C)c1ccc(F)c(Br)c1 168551887 TXLOAKGJHKMXNZ-VIFPVBQESA-N 272.161 3.815 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2cccc(C#N)n2)c1C 1204250834 UFOSJRRSBJSDTD-LJQANCHMSA-N 291.398 3.907 30 20 CHED CSCCON=Cc1csc(Cl)c1Cl 794574929 VCGBNHWYOUYUHN-UHFFFAOYSA-N 270.206 3.768 30 20 CHED C[C@@H]1CCCCC[C@@H]1NCc1ccc(C#N)c(F)c1 404136220 XIUIKERSTGPRSF-WBMJQRKESA-N 260.356 3.756 30 20 CHED C=C1CCC(c2nc(CCCOC(C)C)no2)CC1 896113005 QBVVDLSGXZMVSK-UHFFFAOYSA-N 264.369 3.641 30 20 CHED CC(CCc1ccccc1)=NNc1ncccc1F 794986096 YQCCWEBVVOOVJV-UHFFFAOYSA-N 257.312 3.641 30 20 CHED CCCCCCCCNC(=O)c1ccc(C#N)cc1 59237661 PPBSVVKPZYJCMX-UHFFFAOYSA-N 258.365 3.649 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc(C(F)F)cc2)c1 794452002 LRVYAMRWCRDXEY-UHFFFAOYSA-N 290.269 3.768 30 20 CHED CCn1nccc1/C=C\C(=O)c1cccc(CC(C)C)c1 794723000 BDKYCIVNUNOZBC-HJWRWDBZSA-N 282.387 3.998 30 20 CHED Clc1ccccc1NN=C1CCC12CCOCC2 799865088 VYVHYKIFHCLHRQ-UHFFFAOYSA-N 264.756 3.699 30 20 CHED C#CCOc1ccc(C(=O)N2CCC[C@H](C(C)(C)C)C2)cc1 794347337 LIYHVVXROXIDDH-INIZCTEOSA-N 299.414 3.597 30 20 CHED O=C(/C=C/c1ccsc1Cl)c1ccc(O)cc1O 790221578 CVWWAZGMTOPKPB-DAFODLJHSA-N 280.732 3.709 30 20 CHED N#Cc1sccc1C(=O)Nc1ccc(C(F)F)cc1 1134358909 OPJXOWKBBFXNKP-UHFFFAOYSA-N 278.283 3.810 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1sccc1Cl 194328507 OWKFCKMEQRNTII-UHFFFAOYSA-N 276.792 3.905 30 20 CHED C/C=C(\CC)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570637 JCPNCVUSIBAGQB-RUYJGKKWSA-N 276.405 3.973 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCc2ccc(F)cc21)C(C)C 793324846 MQQAJVRWNMLMLN-MRXNPFEDSA-N 290.382 3.809 30 20 CHED CSCCON=Cc1ccc(-c2ccc(F)cc2)o1 794573133 SPXCWRNVUKTDQH-UHFFFAOYSA-N 279.336 3.799 30 20 CHED C[C@@H]1C[C@@H]1CNc1ccc(OC(F)(F)F)c(C#N)c1 799738674 JDEQUCHVZDFQKH-PSASIEDQSA-N 270.254 3.525 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@H]2CC23CCC3)s1 797571434 RHJTWWSATJIPLE-MNOVXSKESA-N 288.416 3.807 30 20 CHED C#C[C@H](OC(=O)c1ccc(F)c2ccccc12)C1CC1 796789913 JRLPKCYLYAUSTC-INIZCTEOSA-N 268.287 3.548 30 20 CHED Cc1coc(C)c1C(=O)O[C@@H](C)c1ccc(C#N)cc1 792767074 VUNZHAYEJGEZGB-NSHDSACASA-N 269.300 3.686 30 20 CHED C#CCCN(Cc1ccc(F)cc1F)C1CCCC1 760856891 SCLQQXDMZCNUCR-UHFFFAOYSA-N 263.331 3.733 30 20 CHED CC[C@@H](C)[C@H](C)Nc1ncc(Cl)c(C)c1C#N 1162558246 BMLZLVUEQHPVAK-SCZZXKLOSA-N 251.761 3.762 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)nn1)c1ccco1 1326235373 YDBCEBVUVJAEEC-UHFFFAOYSA-N 272.352 3.593 30 20 CHED N#Cc1cccc(-c2nnc(-c3ccnc4ccccc34)o2)c1 1322995888 DNMKWEGITMONIR-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CCCCCCCCCSCc1cn(C)nn1 1321023506 JCOMPSPXQJXNTK-UHFFFAOYSA-N 255.431 3.799 30 20 CHED C=CCn1cnnc1SC[C@@H](C)C1CCCCC1 1324202778 XWRCSTHAWRSDQP-GFCCVEGCSA-N 265.426 3.773 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C)c(C)cc1Cl 1330703515 CYPCCNXUIDWVSM-UHFFFAOYSA-N 263.768 3.945 30 20 CHED CC(=NNCC1CCOCC1)c1ccc(C(C)C)cc1 1339162678 QJZMOYISLHVGRM-UHFFFAOYSA-N 274.408 3.550 30 20 CHED N#C[C@@H](C(=O)C1=CCCC1)c1nc2cccc(Cl)c2[nH]1 1349759850 DGIXIYVDTFABNS-JTQLQIEISA-N 285.734 3.503 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N(C)CC(C)C 1359150119 PQRFLKIHYALOMZ-UHFFFAOYSA-N 296.846 3.780 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)[C@@H](C#N)c1cccc(F)n1 1516767634 OEUNFQYDVGRAIE-NEPJUHHUSA-N 276.355 3.859 30 20 CHED CCC(CC)(CNc1cncc(C#N)n1)c1ccc(F)cc1 1458498151 GZWSIMANMUIJAF-UHFFFAOYSA-N 298.365 3.657 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@@H]3F)c2C#N)[C@@H](C)C1 1523484341 TYOSTIFJJWSQOR-OBBWGPJDSA-N 292.379 3.602 30 20 CHED CCC1(CNC(=O)c2ccc(C)c(C#N)c2)CCCC1 1525875928 BVSTVSDOKHHECL-UHFFFAOYSA-N 270.376 3.567 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3c(s2)CCCC3)C1 1528488768 BYDGJBFLNNCFTN-YPMHNXCESA-N 289.400 3.866 30 20 CHED C=CCC[C@H]1CCCN1Cc1ccc(C2(C(=O)O)CC2)cc1 1602860533 GSEKRGAOTMLAMI-KRWDZBQOSA-N 299.414 3.733 30 20 CHED CCc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H](C#N)C1)CCO2 1462051362 OAANBUJKMAXGFK-HLLBOEOZSA-N 284.403 3.745 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(CCC)CCC 1539773195 UGNJLIFHZSGDPM-UHFFFAOYSA-N 284.835 3.780 30 20 CHED N#Cc1cc(F)cc(NC(=O)CCCC2CCCC2)c1 1535371887 QJJNEMYGRHAXKZ-UHFFFAOYSA-N 274.339 3.996 30 20 CHED Cc1nsc(N[C@H]2CCC(C)(C)C[C@H]2C)c1C#N 1472717888 YJEFHVVXYLUFLI-SKDRFNHKSA-N 263.410 3.950 30 20 CHED CCc1ccsc1C(=O)Nc1ccc(C#N)cc1C(C)=O 1543531187 FOSAYVRFTLEUPE-UHFFFAOYSA-N 298.367 3.637 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cccc(C#N)n1 1474559764 CLOCBULOMFXRHU-UONOGXRCSA-N 271.408 3.600 30 20 CHED CC[C@H]1CCCC[C@@H]1CNc1nc(C)ccc1C#N 1472792675 AEFINOFBJXSFLG-DZGCQCFKSA-N 257.381 3.890 30 20 CHED Cc1c(C(=O)C2CCC2)ccc(C#N)c1C(F)(F)F 725326670 LLUFKHDXBRRRAY-UHFFFAOYSA-N 267.250 3.868 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)c1ccc(F)cc1 229748977 CVIWMSDFMKHMRP-UHFFFAOYSA-N 272.298 3.863 30 20 CHED C=CC[C@@H](S[C@H](C)c1ccc(OC)cc1)C(=O)O 1573352389 BDLQSKWHKXAYSN-ZWNOBZJWSA-N 266.362 3.519 30 20 CHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1OC(F)F 1645049215 ZWIFCJYZIYUTBA-FOGDFJRCSA-N 298.308 3.770 30 20 CHED COc1ncccc1CSc1ccc(C#N)c(C)c1 1641225865 BESOWCHAENXPFZ-UHFFFAOYSA-N 270.357 3.563 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)c1cc2occc2s1 1583641094 QCPGVKJCSQJVBW-UHFFFAOYSA-N 294.335 3.569 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(F)c(C)cc2F)c1 1583754839 GABSSIZHHSGMHQ-UHFFFAOYSA-N 286.281 3.706 30 20 CHED N#Cc1ncccc1SCCc1c(F)cccc1F 1656553543 OVNPKAWYYIMXPW-UHFFFAOYSA-N 276.311 3.566 30 20 CHED Cc1ncccc1C(=O)Nc1cc2ccccc2cc1C#N 1583717888 WLVFKKSPXYAKQL-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)CC(C)(C)CNC(=O)Nc1cc(F)cc(C#N)c1 1664072031 JDXPDMLADVFPLH-UHFFFAOYSA-N 291.370 3.891 30 20 CHED CCCCCCCCOc1ccc(-c2nn[nH]n2)c(F)c1 1590592363 OVCMXLYDTQBDMS-UHFFFAOYSA-N 292.358 3.745 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(C(=O)O)co1 1595705224 RURCIFIXPSICFP-UHFFFAOYSA-N 295.379 3.800 30 20 CHED C[C@H](Cc1cccs1)N(C)C(=O)Nc1cccc(C#N)c1 1673022232 OPICNRYTQILTQG-GFCCVEGCSA-N 299.399 3.715 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)Nc1cccc(CC#N)c1 1677654366 XHYKHGAUIYYZPG-UHFFFAOYSA-N 291.354 3.656 30 20 CHED Cc1cccc2c(C(=O)/C=C\c3cc(C(=O)O)co3)coc12 1777449114 YQFABHDUHWMKLY-WAYWQWQTSA-N 296.278 3.929 30 20 CHED CC(C)C[C@H]1CCCC1=NNc1ccccc1C(=O)O 1776031394 FCHXENBPZCYOBM-GFCCVEGCSA-N 274.364 3.999 30 20 CHED CCN(CC)c1ccc(/C=N/[C@@H](C)c2ccccn2)c(O)c1 5228207 NNCCOUOSYHUUPW-ZXOFLVKFSA-N 297.402 3.814 30 20 CHED C=CCC(CC=C)C(=O)N[C@@](C)(CC)c1nccs1 150808447 HJTXRHPPRDSXRD-HNNXBMFYSA-N 278.421 3.653 30 20 CHED CCN(C(=O)c1cccc(C)c1C)c1ccc(C#N)cc1 151948997 JSFPDYZXCOFYSK-UHFFFAOYSA-N 278.355 3.842 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1cccc(Cl)c1 151974949 YWPQRMBHSPCKLC-SNVBAGLBSA-N 269.797 3.976 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn(CC(C)C)c1C(F)F 152300806 FEUWPWRDAGBRBR-UHFFFAOYSA-N 299.365 3.515 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@](C)(c2ccccc2)C1 155043199 KLHWSGVHDOSSDL-LJQANCHMSA-N 298.430 3.553 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 154354014 RWJMIRHOWVUVSC-STQMWFEESA-N 299.374 3.666 30 20 CHED C[C@@H](NCCCc1ccccc1)c1ccc(C#N)cc1 20122707 GXCZTHODMIKPTR-OAHLLOKOSA-N 264.372 3.842 30 20 CHED C[C@H]1C[C@@H](NCC(C)(C)CCC#N)CN1Cc1ccccc1 151309409 RWZLROODOFZRDY-FUHWJXTLSA-N 299.462 3.569 30 20 CHED Cc1ccc(S(=O)(=O)[C@@H](C#N)C2CCCCC2)cc1C 168028956 DWOMRTZFCQPBID-INIZCTEOSA-N 291.416 3.550 30 20 CHED C[C@H](CCc1ccco1)Nc1cccc(F)c1C#N 35135016 FDEVNKHXFPIZRM-LLVKDONJSA-N 258.296 3.724 30 20 CHED CN(Cc1ccco1)c1ccc(C#N)c(C(F)(F)F)c1 35702417 LMZSJRBCLQEJFV-UHFFFAOYSA-N 280.249 3.806 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 37141717 XMZQEDJVDAXMEZ-ZIAGYGMSSA-N 282.309 3.769 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)C2(C#N)CCCC2)CC1 186114834 OORBJZJIDOSCNS-GJZGRUSLSA-N 276.424 3.791 30 20 CHED N#Cc1cccc(Cl)c1N[C@H]1CCCSC1 301572681 XJVWTDFYNKCLDZ-JTQLQIEISA-N 252.770 3.519 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](C(F)(F)F)C1(C)C 311640869 PODVPDKVKACZBU-NSHDSACASA-N 276.346 3.979 30 20 CHED CSCCCN(C)c1ccc(C(F)(F)F)c(C#N)c1 311804168 HKKUKZLWLUBIIK-UHFFFAOYSA-N 288.338 3.766 30 20 CHED C=CCCCCN1CCC[C@@H]([C@H]2CCCCO2)C1 661874233 IZPFUQHWMSQEJW-HZPDHXFCSA-N 251.414 3.624 30 20 CHED C[C@@](O)(CNc1cc(Cl)ccc1C#N)c1ccccc1 80119587 ADUPKKFVGZLJEH-MRXNPFEDSA-N 286.762 3.531 30 20 CHED C=CCC[C@@H](CO)NCc1c(Cl)oc2ccccc12 321534057 ZAYCFAQIUPDCRG-NSHDSACASA-N 279.767 3.503 30 20 CHED OCCC1(NC(O)=Nc2ccccc2Cl)CCCCC1 331083844 YWMOHCCSGMAAMO-UHFFFAOYSA-N 296.798 3.560 30 20 CHED Cc1cc(C(=O)N2CCC(CCC#N)CC2)ccc1Cl 335384816 NOXJOBOELRFDLI-UHFFFAOYSA-N 290.794 3.804 30 20 CHED CC[C@H](NCc1ccc(OCC#N)cc1)C1CCCC1 382811140 OKGLGXBVWFABRP-KRWDZBQOSA-N 272.392 3.647 30 20 CHED C=CC[C@H](CC)NC1CC(C#N)(c2ccccc2)C1 393747216 LBPWRTVWFYEKHW-GTPINHCMSA-N 254.377 3.555 30 20 CHED C=CC[C@H](C)NCCc1cccc(C(F)(F)F)c1 628216356 LDUPGMKLSYXDKH-NSHDSACASA-N 257.299 3.802 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccccc2F)cc1 7741101 SGKDPNMIPGFGBK-MDZDMXLPSA-N 251.260 3.593 30 20 CHED CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 108241984 VPMWXWZDIMCYCF-UHFFFAOYSA-N 288.294 3.670 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)cc1)c1ccccc1F 102600715 JGQGOLHFPQYAGO-LBPRGKRZSA-N 282.318 3.830 30 20 CHED N#Cc1ccc(NCCC2CC(F)(F)C2)c(F)c1 413345955 VCWFDJMPHJAESX-UHFFFAOYSA-N 254.255 3.545 30 20 CHED CCCOc1cc(C)ccc1NC(=O)c1ccc(C#N)cc1 55619577 GLGZNQSSQQHUJQ-UHFFFAOYSA-N 294.354 3.908 30 20 CHED COc1ccc(/C=C2\CSc3ccccc3C2=O)cc1O 9579144 BNBFHDMHECKFCE-XYOKQWHBSA-N 298.363 3.773 30 20 CHED C=C(C)COc1ccccc1C(=O)NCc1ccccc1 9877558 KFTAPATWEDSPMJ-UHFFFAOYSA-N 281.355 3.572 30 20 CHED Cc1ccc(CN(C)Cc2ccc(F)cc2C#N)s1 103143376 YELXUHNMEXQRPX-UHFFFAOYSA-N 274.364 3.699 30 20 CHED Cc1c(C#N)cccc1NC(=O)Cc1ccc2c(c1)CCC2 178391146 VRPKSZDXTBWOJS-UHFFFAOYSA-N 290.366 3.537 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 57635246 JFVHYBGIINPLEV-CJNGLKHVSA-N 299.418 3.600 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1F 103717531 LVDRAQAIQACGKQ-SOFGYWHQSA-N 265.287 3.902 30 20 CHED CN(CCCCNCc1ccc(C#N)s1)c1ccccc1 176953808 GREHAPOUIOIKME-UHFFFAOYSA-N 299.443 3.626 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H](C(C)(C)C)CC1 173512029 LNNORHAGSVYCIV-HNNXBMFYSA-N 281.440 3.644 30 20 CHED C=CCCCC(=O)N(CC)[C@@H](CC)c1ccncc1 177881167 VALHUKZBUUHISH-HNNXBMFYSA-N 260.381 3.738 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2ccn(C)c2c1 173803286 DKABPGRCGVHZGO-UHFFFAOYSA-N 271.364 3.608 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC(C)C)cc1F 117004483 KRZPZHBQUVWDJB-NSHDSACASA-N 280.343 3.699 30 20 CHED C=CCCCC(=O)Nc1ccc(-c2nccc(C)n2)cc1 177863375 XDTQJEDHWVZECT-UHFFFAOYSA-N 281.359 3.747 30 20 CHED CC(C)(C)c1ccc([C@@H](O)C/N=C/c2ccccc2O)cc1 115961546 YJRMHRGLTWVQHZ-TYJAPOHBSA-N 297.398 3.842 30 20 CHED Cc1nnc(NC[C@H](c2ccccc2)C(C)C)c(C#N)c1C 301063553 DBPNNKCDCVOAAM-KRWDZBQOSA-N 294.402 3.817 30 20 CHED N/C(=N/Cc1ccccc1Cl)Nc1ccc2c(c1)CCC2 303721554 XNJROYPNJRZEOW-UHFFFAOYSA-N 299.805 3.756 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(O)c(Cl)c1 119262939 ZBUKDVLMTOHFMK-DAFODLJHSA-N 292.693 3.786 30 20 CHED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1nccn1C 179822389 XLMSGQYJEGCCGQ-MRXNPFEDSA-N 298.390 3.666 30 20 CHED CCSCC[C@@H](C)N(C)c1ccc(F)cc1C#N 301746795 QIBWPTCFOSDHAZ-LLVKDONJSA-N 266.385 3.665 30 20 CHED C=CCCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 175174319 BLGSYDMWFHPNKU-UHFFFAOYSA-N 297.402 3.625 30 20 CHED Cc1ccc(C#N)c(NCc2ccc(Cl)c(C)c2)n1 302158519 XHWHFPOPMNWEOA-UHFFFAOYSA-N 271.751 3.836 30 20 CHED CCCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 66956086 QJUQBSUEXMCNOC-NSHDSACASA-N 277.393 3.612 30 20 CHED COC[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1 174050569 STBDUYMZVMNSRZ-AWEZNQCLSA-N 296.370 3.584 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C12CCC(CC1)CC2 1357422575 SFQCJCAEMOBHCM-UHFFFAOYSA-N 298.386 3.866 30 20 CHED C=CCCOC(=O)c1cccc(Br)c1Cl 780129631 PZHWEMYAXLIFNA-UHFFFAOYSA-N 289.556 3.835 30 20 CHED C=CCCCC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 179993452 WTKOLRJPUKNWJP-OAHLLOKOSA-N 293.794 3.676 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCc1cccc(F)c1 128277814 MJYTXXHQTKZQFW-ZDUSSCGKSA-N 293.407 3.648 30 20 CHED N#CC1(COC(=O)c2cc3cc(F)ccc3s2)CCC1 183848528 NSUMULGKSRSERN-UHFFFAOYSA-N 289.331 3.891 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 185724189 MKZVQRFOBGDNAI-LRDDRELGSA-N 283.375 3.529 30 20 CHED COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1Cl 185863788 AYEJLLWRJVHFQI-DGCLKSJQSA-N 278.783 3.521 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1cccc(Oc2ncccn2)c1 187881685 QHONFZXETQBLDK-QGZVFWFLSA-N 298.342 3.777 30 20 CHED C=CCCCC(=O)Nc1cncc(Cl)c1Cl 180100584 MELVBHMEWDPYKM-UHFFFAOYSA-N 259.136 3.683 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1cccc(O)c1 120421616 NSFGYHPJFPEGJS-AWEZNQCLSA-N 290.407 3.841 30 20 CHED N#C[C@H]1CCC[C@@H](NC[C@@H]2CCCO[C@H]2c2ccccc2)C1 185796092 UMDQWCDDANMXKH-KANFNMMFSA-N 298.430 3.826 30 20 CHED Cc1ccccc1C1(C(=O)N(C)C[C@H](C)C#N)CCCCC1 503161593 MADJHNPURIGWDI-OAHLLOKOSA-N 298.430 3.815 30 20 CHED C=C(C)CCc1noc(CCc2ccc3[nH]ccc3c2)n1 508683244 YOPUNFZPTLUEOK-UHFFFAOYSA-N 281.359 3.845 30 20 CHED C=CCC[C@H](C(=O)Nc1cccnc1OC)c1ccccc1 186779351 MGDQMWFOYYEBMG-HNNXBMFYSA-N 296.370 3.779 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)Cc2ccsc2)c1 124768151 CHKMRGRAQWMBOS-UJFYRASASA-N 275.373 3.512 30 20 CHED CCOc1ccccc1OCCSCC1(C#N)CCC1 419449105 XZHFZACWYAUVMP-UHFFFAOYSA-N 291.416 3.891 30 20 CHED Cc1ccoc1CN(C)CCC1(C#N)CCCCC1 411757735 LRNPYRWJKOGFRZ-UHFFFAOYSA-N 260.381 3.884 30 20 CHED CCSc1cccc(/C=C2\CCc3c(cnn3C)C2=O)c1 184756618 UOZJEXZIKBIMSD-UKTHLTGXSA-N 298.411 3.745 30 20 CHED C=CCC[C@@H](NC(=O)c1csnc1C)c1ccccc1 182276489 WUFDAIAXRBWOOW-OAHLLOKOSA-N 286.400 3.889 30 20 CHED C=C(C)[C@@H](NC(=O)CCCC#CC)c1ccc(F)c(F)c1 186068315 ZHQOMWOYIBWKEL-QGZVFWFLSA-N 291.341 3.892 30 20 CHED C#CCCCCN[C@@H](C)c1sccc1Br 130754930 RNUSVSOHRMFDQU-JTQLQIEISA-N 286.238 3.965 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1CCCC1(C#N)CCOCC1 410413483 LECGYZVPVSPTKH-SJORKVTESA-N 292.467 3.988 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cnc(C#N)c(Cl)c1 411024445 AZLWOEBIHQJZST-JTQLQIEISA-N 279.771 3.617 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)CC 413823630 MVSYOCJKHXSZIE-GOEBONIOSA-N 274.408 3.614 30 20 CHED Cc1nc(-c2ccccc2)oc1C(=O)O[C@@H](C)C(C)(C)C#N 181877152 ZTBQAKSENSSCPB-LBPRGKRZSA-N 298.342 3.745 30 20 CHED CC[C@@H](CNC(=O)c1cccc(C#N)c1C)c1ccccc1 509062020 ZSYBKDGSMGJFHI-HNNXBMFYSA-N 292.382 3.790 30 20 CHED CS[C@H]1CCC[C@@H](NCc2ccc(C#N)c(C)c2)C1 443995448 QXCRXZAEJLXPIL-CVEARBPZSA-N 274.433 3.631 30 20 CHED CCN1CC[C@H](N(C)CCCCC(C)(C)C#N)C[C@H]1C 336827825 KCGGQIPQQILJJY-CVEARBPZSA-N 279.472 3.511 30 20 CHED C=C[C@H](C)OC(=O)CCc1c[nH]c2c(C)cccc12 187594932 UWKQNPWLWYJHGU-LBPRGKRZSA-N 257.333 3.527 30 20 CHED N#Cc1cccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c1 237849497 XWJQDPBIHQQTFX-LJQANCHMSA-N 291.398 3.635 30 20 CHED Cc1cnc([C@@H](C)CN[C@@H](C)c2ccc(C#N)cc2)s1 186771198 HKOWQRBABZEBSY-AAEUAGOBSA-N 285.416 3.778 30 20 CHED C[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 135094077 CVYWGTNMTXCQOP-CQSZACIVSA-N 256.393 3.720 30 20 CHED C=CCOc1ccc(C(=O)N(C)C(C)(C)CC)cc1 74022931 PQXFUZZNEBATSU-UHFFFAOYSA-N 261.365 3.512 30 20 CHED C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1ccccn1 76824809 MFLMZRUOYNJOOH-BBRMVZONSA-N 296.345 3.666 30 20 CHED C[C@H]1CCCC[C@@H]1CN(CCC#N)Cc1ccccn1 183048096 ADFSDEMQVZKGNT-JKSUJKDBSA-N 271.408 3.624 30 20 CHED CC#CCCNC(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 413457820 LQWSGRQJDHYDEF-MSOLQXFVSA-N 298.430 3.768 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cccc(C(F)(F)F)c2)C1 185757282 QCMWYVBHDXIUOQ-FZMZJTMJSA-N 282.309 3.877 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccccc1C(C)(F)F 411034297 LLVMDOAKMPZSDB-HNNXBMFYSA-N 297.345 3.966 30 20 CHED C#CCCCCC(=O)N(c1ccc(OC)c(F)c1)C(C)C 182797416 SGQDZKXUBNKUAM-UHFFFAOYSA-N 291.366 3.769 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 183722483 CWLHLLLVZYCZMM-HZPDHXFCSA-N 296.455 3.578 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c[nH]1 181235576 SJPHPRKJJZGXKJ-HNNXBMFYSA-N 299.761 3.517 30 20 CHED C=C[C@@](C)(CC)C(=O)NC1CC(C)(c2ccccc2)C1 410076671 FATAEGAKTIDMFI-NXYGQSRBSA-N 271.404 3.825 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cnc(CC)s1 414540349 UNWMCNPEZJHPPU-OAHLLOKOSA-N 286.444 3.983 30 20 CHED C#Cc1cccc(N(CC)CCCC(C)(C)C#N)c1 174845725 AINWPTLNJFGXAF-UHFFFAOYSA-N 254.377 3.824 30 20 CHED N=C(O)Nc1ccc(C/N=C(/O)[C@H]2CC23CCCC3)cc1 329969867 URJILQMDKRTVDM-CYBMUJFWSA-N 287.363 3.628 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Br)cc1 44764968 JFJDYXJHKGJTNN-UHFFFAOYSA-N 295.180 3.718 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(C)c2ccccc12 415630962 OPNHGIKRPOCBMD-AWEZNQCLSA-N 280.371 3.913 30 20 CHED C=C[C@H](CO)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 414163403 NCOOTWGTQZJSAZ-NUEKZKHPSA-N 279.811 3.503 30 20 CHED N#Cc1cccc(CNC(=O)CCCC2CCCCC2)c1 45217195 RPGQNEQUFPRSKX-UHFFFAOYSA-N 284.403 3.925 30 20 CHED CC[C@@H]1C[C@H](C(O)=Nc2cccc3ocnc23)CCO1 328850982 BRCIWHXOEXQGJG-GHMZBOCLSA-N 274.320 3.621 30 20 CHED C#CCCCC(=O)Nc1ccccc1SC(C)C 190387287 GQNJBICQAHUVHI-UHFFFAOYSA-N 261.390 3.929 30 20 CHED C#CCOc1ccc(C(=O)N(CC=C)c2ccccc2)cc1 133370413 JCIKNCZEUKEBKO-UHFFFAOYSA-N 291.350 3.531 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2cccc(C3CC3)c2)C1 413471308 NQZVXGJGEBSBDT-AUUYWEPGSA-N 296.414 3.695 30 20 CHED O=C(/C=C/c1cncs1)c1ccc(F)c(Cl)c1 130006675 KRROKRRLYKHWIW-DUXPYHPUSA-N 267.712 3.832 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1cccc(CC(F)(F)F)c1 86301327 AWYTXXCYESWIMQ-JTQLQIEISA-N 299.296 3.557 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cccc(Cl)c2F)C1 612407132 ZHHVNTRCOYYHSW-AWEZNQCLSA-N 266.747 3.605 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc(C(F)(F)F)cc1 503650407 SEBNSBWUXYZYIP-CQSZACIVSA-N 298.308 3.764 30 20 CHED C=C(C)COc1cccc(N[C@H](C)CCn2cccn2)c1 137819192 SBTNXQPMDHSPIV-OAHLLOKOSA-N 285.391 3.729 30 20 CHED CC1=C[C@H](C)C[C@@H](CNCc2ccc(C#N)s2)C1 421350420 LMDRDOPHQINZHO-WCQYABFASA-N 260.406 3.702 30 20 CHED COc1cc(SC)ccc1NCc1ccc(C#N)cc1 193506855 XJUSUIJCPNEOJF-UHFFFAOYSA-N 284.384 3.901 30 20 CHED N#Cc1cnc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)c(Cl)c1 132491160 YGYGAQSKPHOLFP-SQWLQELKSA-N 295.773 3.604 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2oc(CC)nc2c1 190766050 QOFVIGDIFJDSSY-INIZCTEOSA-N 272.348 3.931 30 20 CHED C[C@@H]1CC[C@H](C/C(O)=N/[C@@H]2CCC(O)=NC23CCC3)C1 328757915 VKIYDSWNVVTEIZ-FRRDWIJNSA-N 278.396 3.811 30 20 CHED CO[C@@H]1CCC[C@H](C(O)=Nc2scnc2C2CC2)C1 328961344 QQBOHSGDEBRCCA-WDEREUQCSA-N 280.393 3.814 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 44809589 CVNAVISBBDZCAA-LBPRGKRZSA-N 276.339 3.746 30 20 CHED Cc1cc(-n2cccn2)ccc1NCc1ccccc1C#N 190849906 VKDLFNWEWCNKGG-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 192147454 ZAJFRRPUNSVCLW-SNVBAGLBSA-N 290.288 3.826 30 20 CHED COCc1ccc(NCC#Cc2cccc(Cl)c2)cc1 194594738 NEBMCQWAPFZHQR-UHFFFAOYSA-N 285.774 3.950 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 194585078 HQQWGOVJJVVAAF-IUODEOHRSA-N 285.391 3.909 30 20 CHED CC1CCC(N(C)C(=O)Nc2cccc(CC#N)c2)CC1 334741247 QUDSVIDILODWRL-UHFFFAOYSA-N 285.391 3.795 30 20 CHED C=CCOc1cccc(NC(=O)N(CCC)CC2CC2)c1 98029819 OEBGPTZCMBGHEC-UHFFFAOYSA-N 288.391 3.905 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC=C(c3c(F)cccc3F)CC2)C1 334320321 ZOEWQNZOBDZJLC-TZMCWYRMSA-N 288.341 3.746 30 20 CHED N#CC1(CCN2CCC3(CCOCC3)CC2)CCCCC1 334574170 MEIDLEURZDCVCL-UHFFFAOYSA-N 290.451 3.743 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](C)CC2)c1 332268556 DFZJCSIOWPWDHE-LBPRGKRZSA-N 271.364 3.521 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(C#N)oc1C 336153028 REYBSKIQEKOBAI-IUODEOHRSA-N 274.364 3.501 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCCc2cc(N)ccc21 423352332 KGJCBVVUBCUXPN-NVXWUHKLSA-N 258.409 3.981 30 20 CHED Cc1cc(C)cc(N=C(O)NC2(CCO)CCCCC2)c1 331065937 PWTKCFFPFBHUBO-UHFFFAOYSA-N 290.407 3.524 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccsc1 334281655 HOFUAWKUVCBCDE-MRXNPFEDSA-N 268.385 3.787 30 20 CHED C[C@H](N[C@@H]1CCC[C@H]1C#N)c1ncc(-c2ccccc2)o1 332169887 KRKANGQBFZNEBX-AEGPPILISA-N 281.359 3.684 30 20 CHED C[C@H](C(=O)N1CC[C@@H](C2CCCC2)C1)c1cccc(C#N)c1 421644978 GMFQLFYNTRVROF-KBXCAEBGSA-N 296.414 3.700 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCC[C@H](SCC)C1)OCC 339377592 KVNWKIMDIRFFPB-KKUMJFAQSA-N 299.480 3.538 30 20 CHED N#CCCN[C@H]1CCOc2c(-c3ccccc3)cccc21 514825421 UNLHCTCGXPUPKO-KRWDZBQOSA-N 278.355 3.680 30 20 CHED Cc1nc(SCCCCC(C)(C)C#N)nc(O)c1C 331223477 LLIWHNJVRKRDKR-UHFFFAOYSA-N 279.409 3.611 30 20 CHED N#CCc1ccc(NCc2cc3ccccc3nc2O)cc1 237947906 JYVUIXCCWPQCEP-UHFFFAOYSA-N 289.338 3.619 30 20 CHED Cc1cc(C)c(C#N)c(NCCCOc2ccccc2C)n1 517873879 RIBUIMIUNKVERT-UHFFFAOYSA-N 295.386 3.760 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CC[C@H](C(C)(C)C)C1 337821894 SHTNSHKAXHLYSQ-AWEZNQCLSA-N 288.439 3.604 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]1(C)CC=CCC1 335136505 ZSMLLGZKAVGONA-KDOFPFPSSA-N 282.387 3.824 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cccc(OC(F)(F)F)c1 430747427 LTVURQVFMNOOPG-NSHDSACASA-N 298.308 3.930 30 20 CHED N#CCCC1CCN(C(=O)c2cc3ccccc3o2)CC1 335384553 IWRAEZDQQRAKIL-UHFFFAOYSA-N 282.343 3.589 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cncs1 334922659 QQWIFZMYHVQMOY-XHDPSFHLSA-N 283.400 3.743 30 20 CHED C=CCC1(C(=O)N2CC[C@H](O)CC(C)(C)C2)CCCCC1 335040094 CMRJPZRWFQOMJE-HNNXBMFYSA-N 293.451 3.523 30 20 CHED C[C@@H](CC(=O)N(C)c1ccc(C#N)cc1)c1ccc(F)cc1 439936021 VEIMBCPDHZROEL-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2C2CCCC2)cc1[N+](=O)[O-] 94593111 XZPVLCYTJIKKDI-OAHLLOKOSA-N 285.347 3.625 30 20 CHED C=CC[C@@H](CC)NC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 343772245 QLFGQQBEKWXBCZ-CYBMUJFWSA-N 290.407 3.734 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(Cl)cc2cccnc12 522660000 WIWKPXXWQVWZTQ-SNVBAGLBSA-N 289.766 3.974 30 20 CHED C=CCCOCCCCC(=O)N1[C@H](C)CCC[C@H]1C 342828476 DMPYDTBBJDTKLT-HUUCEWRRSA-N 267.413 3.539 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N1[C@H]2CCC[C@H]1CC2 439612585 RBGQGUWZCNGTTC-STQMWFEESA-N 299.324 3.906 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1CCc2cc(F)ccc21 432096058 RSJZFYNJGGAVLM-OAHLLOKOSA-N 290.382 3.715 30 20 CHED Cc1cc(NCc2ccccc2OC(C)C)cc(C#N)n1 341586320 ICYADLWOUDTRPQ-UHFFFAOYSA-N 281.359 3.661 30 20 CHED N#CCCN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 342845685 KDDJDKMNCILIJP-UONOGXRCSA-N 282.309 3.845 30 20 CHED C[C@H](CCC#N)CN[C@H](CCc1ccccc1)C(F)F 602722399 CTZLSOJZBIQETQ-UKRRQHHQSA-N 280.362 3.782 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC(OCCCC)CC1 432564071 YWJMOHZOQCYTAS-UHFFFAOYSA-N 296.455 3.579 30 20 CHED CCN(C(=O)c1nc(C(C)C)oc1C)c1ccc(C#N)cc1 342383404 ONHINRDSGBMRTF-UHFFFAOYSA-N 297.358 3.645 30 20 CHED C=CCCOCCNCc1ccc(F)c(Cl)c1Cl 432253117 JFKHOXRAQQRFNW-UHFFFAOYSA-N 292.181 3.815 30 20 CHED Oc1ccccc1C=Nc1cc(F)c(F)c(F)c1 255908807 MCRWUZXJNBXHTC-UHFFFAOYSA-N 251.207 3.560 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(OCC)cc1 606816862 SQEGCDNQUIPHCE-UHFFFAOYSA-N 289.419 3.833 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccc2cc[nH]c2c1 348327895 UEHFZKZEBDOHKE-UHFFFAOYSA-N 261.328 3.676 30 20 CHED C=C(CC)CN1[C@H]2CC[C@H]1c1cnc(C(C)C)nc1C2 528589090 CIANHRTYRSIPBU-BBRMVZONSA-N 271.408 3.628 30 20 CHED CC1CC(C#N)(C(=O)NC2CCC3(CCCCC3)CC2)C1 526062112 OEYGIUDFTQLMSF-UHFFFAOYSA-N 288.435 3.936 30 20 CHED COc1cccc(/C=N\CCc2c[nH]c3ccccc23)c1O 255110459 PPSXAKRYBMPSBE-ODLFYWEKSA-N 294.354 3.544 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1cccc(C#N)c1 255143481 JDSTVCSFESJWJB-VURMDHGXSA-N 265.287 3.902 30 20 CHED Cc1cc(Cl)ccc1N=Cc1ccc(O)c(O)c1O 254990512 GEOVOOAERXUYHG-UHFFFAOYSA-N 277.707 3.516 30 20 CHED C[C@H](C#N)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 345752480 AOKFNIKKZIMIEG-CRAIPNDOSA-N 292.382 3.636 30 20 CHED C=CCCC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 342842374 QKCMMMATQLVBSG-LLVKDONJSA-N 261.369 3.636 30 20 CHED Cn1cc(/C=C\C(=O)c2cc(Cl)sc2Cl)cn1 255198547 FMEPBANYHQXOMD-IHWYPQMZSA-N 287.171 3.685 30 20 CHED CO[C@@H](C)c1nc(CON=Cc2ccccc2F)cs1 255083012 NKLPELBGBKMQNG-JTQLQIEISA-N 294.351 3.540 30 20 CHED N#Cc1ccnc(SC/C=C\c2ccccc2)c1 255638398 GRPKOANJHSAYFV-DAXSKMNVSA-N 252.342 3.759 30 20 CHED C=CC[C@@H]1N(Cc2ccoc2C(=O)OC)CCCC1(C)C 444791936 NTGBTYDQOYAERX-AWEZNQCLSA-N 291.391 3.633 30 20 CHED C[C@H](CCC#N)CN1C[C@H](C(F)(F)F)CC[C@H]1C 602597923 UJQVCDMUPAXIGG-IJLUTSLNSA-N 262.319 3.589 30 20 CHED C=CCn1cc(CN[C@@H](C)c2ccc([C@H](C)CC)cc2)nn1 527908617 GEALSHFTDBIOCZ-CABCVRRESA-N 298.434 3.828 30 20 CHED C[C@]1(C#N)CCCN(Cc2c(F)ccc(F)c2Cl)C1 600143157 AADLVUQDXSWIAP-CQSZACIVSA-N 284.737 3.744 30 20 CHED CCOc1cc(/C=C\C(=O)c2occc2C)ccc1O 255594823 ZNUJSBPLJFWAGX-ALCCZGGFSA-N 272.300 3.588 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CCCC(C)(C)C1 355259607 WYWLFYQTQZUTTD-CYBMUJFWSA-N 279.428 3.584 30 20 CHED N#Cc1cccc(Oc2cncc(-c3ccccc3)c2)n1 357600314 WEWBLNDJXADUOF-UHFFFAOYSA-N 273.295 3.808 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)NCC#Cc1ccccc1 606632867 VMBNIWUNZKKPNX-FUHWJXTLSA-N 298.430 3.648 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CCC)Cc1ccccc1 604898012 WPZOGMQSRNZCII-ZBFHGGJFSA-N 274.408 3.662 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 448830374 HZYNLICNYKFKIB-OUCADQQQSA-N 286.375 3.578 30 20 CHED CC(C)(CN[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 442708011 IGTLCRFMIFTLFM-SWLSCSKDSA-N 276.811 3.899 30 20 CHED N#Cc1ccncc1NCC1(c2cccc(Cl)c2)CC1 354323600 FATGHXWGQHAJPO-UHFFFAOYSA-N 283.762 3.750 30 20 CHED N#Cc1ccc(CNc2ccc(OC3CCCC3)nc2)cc1 532569495 RBKOMLTWTDBSFY-UHFFFAOYSA-N 293.370 3.887 30 20 CHED CC(C)n1ncc2cc(NC(=O)C3(C#N)CCCC3)ccc21 609764186 VLYYSNVBVYCXPS-UHFFFAOYSA-N 296.374 3.640 30 20 CHED Cc1ccc(CCCNc2ccc(CC#N)cc2)cn1 354633098 NQHFTRFEFPCGPT-UHFFFAOYSA-N 265.360 3.501 30 20 CHED CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C#N)cc1 269607899 AIVBBFKNWNKMJP-UHFFFAOYSA-N 294.398 3.737 30 20 CHED N#CCCN(Cc1ccco1)C(=O)CC1CCCCCC1 267343503 KJOCKHBEYJWAPT-UHFFFAOYSA-N 288.391 3.882 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1 536747196 OWGRRTIHCNVFOA-SOUVJXGZSA-N 276.424 3.705 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2N[C@H]2CCC[C@H](C#N)C2)cc1 447525866 ADFVKOLAVPZPAW-WNHJNPCNSA-N 298.430 3.887 30 20 CHED N#Cc1cc(F)ccc1NCc1cc(-c2ccccc2)no1 359450670 UXRKPBYZDXFDAB-UHFFFAOYSA-N 293.301 3.964 30 20 CHED COc1cc(CN(C)[C@H](C)c2ccc(F)cc2)ccc1C#N 442805113 XXINFAIOYSTYFB-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCc1ccc2[nH]ccc2c1 441083936 ICNWOGSVDWFACF-AWEZNQCLSA-N 299.418 3.754 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cncs1 350626924 BUJTWSATKWCZOB-UHFFFAOYSA-N 285.416 3.673 30 20 CHED CC(C)c1cccc(CNC(=O)N2CCC[C@](C)(C#N)C2)c1 614008327 ORRYPGOAQZLHGA-GOSISDBHSA-N 299.418 3.645 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCSc1ccccc1 537187471 HOZCIYPTFWCGAW-CQSZACIVSA-N 292.448 3.823 30 20 CHED C=C(C)[C@H](Cc1nc(-c2cccc(Cl)c2)no1)OCC 533690710 NKELDIMVHFSJAT-ZDUSSCGKSA-N 292.766 3.914 30 20 CHED C=C(CC)CN1CCC[C@@H]1c1nc2ccccc2n1C 358621672 ZDMCXQNWOAQHES-MRXNPFEDSA-N 269.392 3.676 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ncccc2SC)no1 350934814 UTKVCRSYOKHDGH-JTQLQIEISA-N 291.376 3.507 30 20 CHED CC(C)(CCC#N)CNCc1ccc(C#N)c(Cl)c1 619748325 ICWOQKCXMFNYBA-UHFFFAOYSA-N 275.783 3.631 30 20 CHED Cc1cccc(OC[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 539498984 ZOYGSLPSSUZUPR-CVEARBPZSA-N 294.398 3.985 30 20 CHED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccncc1 356145143 FZEPFRGNQUFLHB-MRXNPFEDSA-N 293.370 3.522 30 20 CHED Cc1cc(C#N)ccc1Cn1ccc(-c2ccccc2)n1 614392226 IGXJKMYLMDIUSB-UHFFFAOYSA-N 273.339 3.779 30 20 CHED C[C@@H](NCCCc1ccsc1)c1ccc(C#N)cc1 611932552 DHUKHEMZRRCJTC-CYBMUJFWSA-N 270.401 3.903 30 20 CHED CC[C@H](CN1CCC[C@](C)(C#N)C1)c1ccccc1 612406480 NIYOIJUVQZWEFW-NVXWUHKLSA-N 256.393 3.806 30 20 CHED Cc1ccc(O[C@@H](C)CN[C@H](C)c2ccc(C#N)cc2)cc1 538392978 FQIIJOBROVKOAT-JKSUJKDBSA-N 294.398 3.985 30 20 CHED C[C@@H](NCCc1cccc(F)c1)c1ccc(C#N)c(F)c1 538502269 HIZHIZFPSXBOPA-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C=CCCc1noc(COc2ccc(Cl)c(C)c2)n1 453248931 SNOOJNBKFHPZNO-UHFFFAOYSA-N 278.739 3.729 30 20 CHED C=C(C)[C@H](CC(=O)NC1(CC)CCCCC1)OCC 456240846 XNZWKSNETKOCGN-AWEZNQCLSA-N 267.413 3.587 30 20 CHED CC#CCCCC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 362250663 NSIZESJSAXTEFF-HNNXBMFYSA-N 287.403 3.911 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1nccc(C#N)n1)CC2 450448582 BHRFNCHRSRUVII-MRXNPFEDSA-N 278.359 3.571 30 20 CHED C=CC[C@@H](CC)NC(=O)C1CC(c2cccc(F)c2)C1 366988223 HKRXRQQSEZERNZ-ZBCRRDGASA-N 275.367 3.790 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2cccc(F)c2C1 614403088 BIPPBQMVKBFXDG-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C#CCC1(C(=O)N2[C@H]3CCC[C@H]2CC3)CCCCC1 364963721 ROEIUFYGRPKECW-GJZGRUSLSA-N 259.393 3.504 30 20 CHED N#CC1(c2nc(-c3nccc4ccccc34)no2)CCCC1 267087951 LZVPPWHEHXETNG-UHFFFAOYSA-N 290.326 3.620 30 20 CHED C[C@@H](COCC(F)(F)F)Nc1ccc(C#N)c(Cl)c1 264690366 NJHJDKCQWVLAFM-QMMMGPOBSA-N 292.688 3.591 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(N3CCCC3)cc2)no1 453174426 NKOFWHMSZAUUOC-UHFFFAOYSA-N 283.375 3.800 30 20 CHED CC(=O)Nc1cccc(COc2c(C)cc(C#N)cc2C)c1 360805206 WTOZVGATGGTGSO-UHFFFAOYSA-N 294.354 3.713 30 20 CHED C=CCC1(CNC(=O)NC[C@@H](C)C(F)(F)F)CCCC1 454817299 SNCOOUPRAMKRMM-LLVKDONJSA-N 292.345 3.621 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccc(F)cc1)C(C)C 459081345 QNWCJISHDYXUFZ-UHFFFAOYSA-N 278.371 3.712 30 20 CHED C=C(C)CCNC(=O)c1sc2ccc(OC)cc2c1C 452718273 PEKMQRHLCULJTG-UHFFFAOYSA-N 289.400 3.914 30 20 CHED N#CC1(CN[C@@H](CC(F)(F)F)c2ccccc2)CCC1 450672602 HYTWSLBDBIZTMU-ZDUSSCGKSA-N 282.309 3.964 30 20 CHED C=CCC1(C(=O)NC[C@H](C)c2nccs2)CCCCC1 450592120 YZFQJFMHWKORPG-ZDUSSCGKSA-N 292.448 3.889 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1=CC[C@@H](C)CC1 456000806 YYELRCZKBCTSIA-LLVKDONJSA-N 254.333 3.552 30 20 CHED CCc1nc(C)c(COc2cc(Cl)ccc2C#N)o1 450862774 AKEXMSFPLMTQIY-UHFFFAOYSA-N 276.723 3.650 30 20 CHED CC#CC(=O)Nc1cccc(CSC(C)C)c1C 278900973 PQBKLJZLZYPVBL-UHFFFAOYSA-N 261.390 3.598 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1C 450070772 YNPDAZPQPSTLOH-YPMHNXCESA-N 299.292 3.543 30 20 CHED CC(C)(CNC(=O)c1ccc(CC#N)cc1)c1cccs1 270360364 YHDSZDZHMVWYEQ-UHFFFAOYSA-N 298.411 3.522 30 20 CHED C=CCCCc1nc(-c2ccc(CN3CCCC3)cc2)no1 546948146 LIKZZNOBZNQUEA-UHFFFAOYSA-N 297.402 3.841 30 20 CHED CC(C)(C#N)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 276849480 OGZJZEYIBVHART-DCAQKATOSA-N 289.404 3.535 30 20 CHED C[C@H](NC(=O)NCC(C)(C)CC#N)c1cc2ccccc2o1 457502007 KBLFKZQKSYNIMZ-LBPRGKRZSA-N 299.374 3.733 30 20 CHED C=CCC1(C(=O)NCCC2CC(F)(F)C2)CCCC1 457187405 OOXBEYOPCQPEAX-UHFFFAOYSA-N 271.351 3.675 30 20 CHED CCOc1cc(Cl)ccc1NC(=O)CC(C)(C)C#N 279032568 PVEHDUFKBHQNAA-UHFFFAOYSA-N 280.755 3.617 30 20 CHED CCOc1cc(F)ccc1NCc1ccc(CC#N)cc1 542234727 QFBRYHFWDCIZAQ-UHFFFAOYSA-N 284.334 3.903 30 20 CHED C=CC[C@H](CO)CN[C@H](c1ccc(Cl)cc1F)C(C)C 543777983 ZDGJKXYPBNTTSK-LRDDRELGSA-N 299.817 3.950 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Cc1ccccc1C 627623143 QCCCEDPCWGTGGU-CQSZACIVSA-N 259.393 3.502 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N[C@@H]3CCO[C@H](C)C3)c2c1 271350158 HETLDDSSMFFHSL-UKRRQHHQSA-N 295.386 3.703 30 20 CHED Cc1cc(C)cc(Cc2noc(-c3cc(C#N)cs3)n2)c1 547034927 CSLPYHXURCMTTD-UHFFFAOYSA-N 295.367 3.877 30 20 CHED CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)s1 466254859 KUNZFXBMXZFDAP-AWEZNQCLSA-N 296.395 3.597 30 20 CHED C=CCC[C@H](NCc1cnc2n1CCCC2)c1ccco1 375802855 XJFPGNOLHWHDEE-HNNXBMFYSA-N 285.391 3.610 30 20 CHED Cc1cc(C)c2[nH]cc(C#N)c(=NCc3ccccc3)c2c1 461460266 KGNAAOYERGPLRI-UHFFFAOYSA-N 287.366 3.757 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 281623976 XEUXLZRSDGAUJW-IRXDYDNUSA-N 287.403 3.521 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C)cc1 463508991 YQPAEVQFECPJAN-UHFFFAOYSA-N 297.354 3.821 30 20 CHED CCc1ccc(NC(=O)c2cc(C#N)oc2C)cc1Cl 552366104 LZRWUHOYWBIANQ-UHFFFAOYSA-N 288.734 3.928 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)Cc2coc3ccccc23)C1 552200287 KVCFSPNLSCVGEB-UGSOOPFHSA-N 296.370 3.564 30 20 CHED C[C@H](C1CC1)N(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 280240497 JZTBAHHWYYJYLY-CYBMUJFWSA-N 296.414 3.891 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccoc1C(C)C 280791412 URVIDUHMJBXPSJ-UHFFFAOYSA-N 299.370 3.898 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc2c(c1)CCC(=O)N2 287249538 ZKIWOULDCIZBJC-CYBMUJFWSA-N 299.418 3.552 30 20 CHED C=C(Cl)CN[C@H]1CCC[C@H](c2ncccc2C)C1 281567963 KHRCXAHRSMKXAS-KBPBESRZSA-N 264.800 3.758 30 20 CHED Cc1cc([C@H](C)NCc2ccc(OCC#N)cc2)oc1C 282049919 GJXIRBCCTBRJHF-ZDUSSCGKSA-N 284.359 3.650 30 20 CHED C=CC(C)(C)C(=O)N(C)c1ccc(OC(C)C)cc1 295046926 BDFVYFHZAPAFDE-UHFFFAOYSA-N 261.365 3.649 30 20 CHED Cc1cc(C)cc(NN=C(Cn2cccn2)C(C)C)c1 802707413 LXIOFVQPDHKMCQ-UHFFFAOYSA-N 270.380 3.624 30 20 CHED CCN(Cc1ccc(Cl)cc1)[C@H]1CC[C@H](C#N)C1 555334199 PURIZSKQZVLOFN-ZFWWWQNUSA-N 262.784 3.854 30 20 CHED C=CC1CCN([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 554074850 IPFPRYZUSOQJPD-HNNXBMFYSA-N 286.419 3.528 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC2C(C)(C)C2(C)C)cc1 476245570 JQLGBIZJQYHTDJ-UHFFFAOYSA-N 284.403 3.652 30 20 CHED C=C(C)CCc1noc([C@@H]2CCCCC2(F)F)n1 296733074 JAZMQVPNAGAQAU-JTQLQIEISA-N 256.296 3.871 30 20 CHED C#CCC1(C(=O)NCC2CCC(F)(F)CC2)CCCCC1 800275947 FPIPQHVWPJAXJL-UHFFFAOYSA-N 297.389 3.902 30 20 CHED Cc1ccccc1[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 299671975 NJGYYXIIPYDZCK-INIZCTEOSA-N 296.414 3.785 30 20 CHED C[C@@H](NCCCc1ccccc1F)c1cccc(C#N)c1 479507824 DIFDJLGURLUDIG-CQSZACIVSA-N 282.362 3.981 30 20 CHED CN1CCN(CCCCC(C)(C)C#N)[C@@H](c2ccccc2)C1 389626704 DDXQIBAQUWHFSO-GOSISDBHSA-N 299.462 3.695 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2CCCCS2)CCCC1(C)C 470278567 GCMXLROPFNJNPK-UONOGXRCSA-N 281.465 3.865 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2c(C)cccc2C)cc1 290226541 QIZTVACUPPNHSN-KRWDZBQOSA-N 292.382 3.861 30 20 CHED CCO[C@H](C)C(=O)Nc1cccc(C#Cc2cccs2)c1 642362273 FPTCYDVCLYVDKF-CYBMUJFWSA-N 299.395 3.511 30 20 CHED C=CCCCCCCNC(=O)c1ccc(OC)cc1OC 805217961 ODEQYGVRVZWCET-UHFFFAOYSA-N 291.391 3.570 30 20 CHED C#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)cc1 809659835 FLDAYIMXDMAJJJ-QAQDUYKDSA-N 279.358 3.843 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1oc2ccccc2c1OC 474990039 XSEXZZMWAISVDZ-KRWDZBQOSA-N 287.359 3.660 30 20 CHED CCCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 478972687 SPQGTBXWRFDUMR-UHFFFAOYSA-N 269.310 3.789 30 20 CHED C#C[C@H](NC(=O)N1CC[C@@H](c2cccc(C)c2)C1)C(C)(C)C 808319189 OOGYXVGTGFBHPN-SJORKVTESA-N 298.430 3.542 30 20 CHED C[C@H](C#N)OCCOc1ccc(-c2ccc(C#N)cc2)cc1 801653917 NDRLSQBESDCNAY-CQSZACIVSA-N 292.338 3.533 30 20 CHED C=CCCCCNCc1c[nH]nc1-c1ccccc1F 472038513 PUWKTMLVYZIZDY-UHFFFAOYSA-N 273.355 3.662 30 20 CHED N#Cc1cc2c(nc1NC[C@@H]1CCCC1(F)F)CCCC2 390885915 YEBIRDJIYOHSJW-ZDUSSCGKSA-N 291.345 3.679 30 20 CHED C=C(CNC(=O)c1ncsc1C(C)C)c1ccccc1 290922268 NXDRMHZYHQSWEL-UHFFFAOYSA-N 286.400 3.710 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 561568870 LBYMZRJQQSGOLS-DZJNRPSUSA-N 298.430 3.929 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C/C=C/c1ccccc1F 488872823 BGDCWQHFOSYQFI-LOWQCSRCSA-N 273.351 3.796 30 20 CHED C=CCCCCOC(=O)c1[nH]c(C)c(C(C)=O)c1CC 811008371 GCGLECNLISTPHP-UHFFFAOYSA-N 277.364 3.601 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNCCc1ccccc1F 814875680 RPWGIDQHTNLHTA-AWEZNQCLSA-N 287.382 3.664 30 20 CHED C=CCn1cccc1C(=O)N[C@H]1CCSc2ccccc21 488502819 UMRFTJLCVMUVGT-AWEZNQCLSA-N 298.411 3.641 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 815876753 NDBWGDIZTMMNJS-RLNQZENFSA-N 281.399 3.694 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(CN(C)C)cc1 814939633 XQHRBMYLLDFMGA-CYBMUJFWSA-N 262.397 3.535 30 20 CHED COc1ccc(Cl)cc1C(C)=NOCCOC(C)C 812238650 BSGQTEORLNZFDW-UHFFFAOYSA-N 285.771 3.514 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@H]1CC)c1ccc(Cl)cc1 811959715 VEFCBSAKLCNZNT-HUUCEWRRSA-N 290.794 3.598 30 20 CHED C=CC[C@H](C)NC(=O)c1cnn(C(C)C)c1-c1ccccc1 488942744 QHBQFHYWPPZARV-AWEZNQCLSA-N 297.402 3.825 30 20 CHED C=CCC(C)(C)c1nc(C2(c3ccncc3)CCC2)no1 656035214 CCDSDYSNWCAFDG-UHFFFAOYSA-N 283.375 3.788 30 20 CHED C=CC[C@H](CC)NCc1cc(C(OC)OC)ccc1F 818212698 UFYCTJCDNGRCMA-AWEZNQCLSA-N 281.371 3.561 30 20 CHED CC(C)(C)[C@H]1CC(=NOCCC(F)(F)F)CS1 814908960 DDJYBGDOKZCQTA-SECBINFHSA-N 269.332 3.863 30 20 CHED CC1(C)CC(=NNC[C@H]2CCSC2)CC(C)(C)C1 811659634 VGDKGLNREZHWET-GFCCVEGCSA-N 268.470 3.921 30 20 CHED CC(=NOCCC1CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C 814940991 KRRCUSDPTJYLGG-AWEZNQCLSA-N 296.411 3.579 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C)c(OC)c2C)CC1 483273400 SXAFXKHSEFDXNC-UHFFFAOYSA-N 273.376 3.997 30 20 CHED C=CCCC(=O)OCc1csc(Nc2ccccc2)n1 726649841 FTHQTHAZXARPJS-UHFFFAOYSA-N 288.372 3.896 30 20 CHED CC(CCc1ccco1)=NNc1ncnc2sccc12 725819436 MXHNCBVZSHDDNU-UHFFFAOYSA-N 286.360 3.705 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)C1CC1 573717245 WZUUBMAVPSCNIO-UHFFFAOYSA-N 298.430 3.979 30 20 CHED COc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1F 727639294 ILBFYECCFBAELB-NSHDSACASA-N 299.301 3.624 30 20 CHED COc1ccc(C(=O)/C=C\c2sccc2C)cc1O 811698620 SRDNLORIQAIKFM-XQRVVYSFSA-N 274.341 3.667 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Cl)cc1OC 489853949 AIRVSDYTCXDJOT-UHFFFAOYSA-N 281.783 3.681 30 20 CHED C#CCOC(=O)c1ccc(N(CC)Cc2ccccc2)cc1 728340813 RYTDCAYVELTRIW-UHFFFAOYSA-N 293.366 3.503 30 20 CHED C=CC[C@H](C(=O)N(C)CCC(F)(F)F)c1ccccc1 488694621 OXTPMVJZWSSTDM-ZDUSSCGKSA-N 285.309 3.757 30 20 CHED N#Cc1ccc(Oc2ccc(NCC3(O)CCC3)cc2)cc1 577365866 JIPIJOHTLFMIQI-UHFFFAOYSA-N 294.354 3.677 30 20 CHED CC(C)CN(CCC#N)C(=O)CCc1cccc(Cl)c1 825308630 BJXPSJFSKWVMIB-UHFFFAOYSA-N 292.810 3.671 30 20 CHED COc1cccc(NN=C(C)c2cc(C)ccc2OC)c1 725855082 LDJWXCNWUBFZEX-UHFFFAOYSA-N 284.359 3.848 30 20 CHED C=CCCOCC(=O)Nc1cccc(SC(F)F)c1 727346686 VWEWKLZNQJLOBS-UHFFFAOYSA-N 287.331 3.533 30 20 CHED Cc1c(NC(=O)[C@H]2CC[C@H](C)CC2)ccc(C#N)c1C#N 575926916 NHGKAVNZYMSIBF-AULYBMBSSA-N 281.359 3.503 30 20 CHED CC#CCCNC(=O)Nc1ccc2c(ccn2CC(C)C)c1 497675209 CZTHQUHDDNYEQS-UHFFFAOYSA-N 297.402 3.832 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)[C@@H](CC)c1ccccc1 498811362 JMZRTGWFRBBUAE-WBVHZDCISA-N 289.419 3.967 30 20 CHED C=CCCc1ccccc1NC(=O)C[C@H](C)n1ccnc1 571926923 JBLKINKBKUKPPJ-AWEZNQCLSA-N 283.375 3.592 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 497338861 UUOBFABNVDKOHP-RRFJBIMHSA-N 276.424 3.601 30 20 CHED Clc1cccnc1NN=C1CCCOc2ccccc21 728429683 MGTIQVXVXJNTDU-UHFFFAOYSA-N 287.750 3.724 30 20 CHED C=CCCCCCN(C)S(=O)(=O)[C@@H](C)c1ccccc1 583230849 CYGNTFWPRRWHND-HNNXBMFYSA-N 295.448 3.756 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H]4C[C@H]43)c2c1 588066034 HKHVZDAJOIDMIZ-CZUORRHYSA-N 277.371 3.712 30 20 CHED C=CC[C@H](C(=O)N1CCCC[C@@H](C)C1)c1ccccc1 490201797 MMJVMSZGXFEBEU-WBVHZDCISA-N 271.404 3.995 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@@H](C)C1)c1ccccc1 490271812 NEZQTXMZJRBMFM-ZBFHGGJFSA-N 257.377 3.605 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)C=C1CCCC1 732105385 NWPQBJVSPMDIJB-GOSISDBHSA-N 282.387 3.518 30 20 CHED C=C(Cl)CNC(=O)CSc1ccc(C(C)C)cc1 736245916 GGRBPRKWMLEDFI-UHFFFAOYSA-N 283.824 3.771 30 20 CHED CCCCCCCC(=O)O[C@H](C)c1nnc(CC)o1 732324680 AXPFRIFUFRVAMM-LLVKDONJSA-N 268.357 3.597 30 20 CHED C=C(C)CN[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC 582681986 YBKFKKWAJALJTM-GVDBMIGSSA-N 259.393 3.503 30 20 CHED C=CCCC[C@@H](N)c1nc(CC2CCCCC2)no1 904578123 XCUOWOKGQDLLTR-CYBMUJFWSA-N 263.385 3.549 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1ccc(C(F)(F)F)cn1 835393042 SQSPBVHBTHCKCD-SECBINFHSA-N 287.281 3.917 30 20 CHED C=C(Cl)CNC(=O)c1ccccc1Oc1ccccc1 736239111 QVPIIVVOXFUWRG-UHFFFAOYSA-N 287.746 3.961 30 20 CHED C=CCCC[C@@H](N)c1nc(Cc2cc(C)cc(C)c2)no1 904548340 IOADLOCBWGKITO-OAHLLOKOSA-N 285.391 3.633 30 20 CHED CC[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 839053249 QRGGINYJZACWKF-RCBQFDQVSA-N 289.350 3.945 30 20 CHED CC(C)CC[C@@H]1CCC(=NNc2ncc(F)cn2)C1 834965839 AFPKXHLHOSBVEZ-LLVKDONJSA-N 264.348 3.620 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1nc(C)c(C)[nH]1)C2=O 901490337 VBOJZVJETVMQTF-CEITULEQSA-N 266.344 3.718 30 20 CHED N#Cc1ccc(CC(=O)OCCCCC2(C#N)CCC2)cc1 908966298 SCVDKUZBJNPWRN-UHFFFAOYSA-N 296.370 3.508 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ncc(C)s1)CO2 834417102 CUDFXSDVARBTHL-SDQBBNPISA-N 285.368 3.727 30 20 CHED Cc1cccc2sc(NC(=O)C#CC(C)(C)C)nc12 837316258 BOTJFVWHKMHOAU-UHFFFAOYSA-N 272.373 3.593 30 20 CHED CCCCCCCC[C@@H](N)c1nc(-c2coc(C)n2)no1 904711985 CYTKAGILTACDLG-GFCCVEGCSA-N 292.383 3.783 30 20 CHED COCCN(C)N=C1CCC[C@H]1Cc1ccc(Cl)cc1 834976914 CPKDTILBKVIHJZ-AWEZNQCLSA-N 294.826 3.617 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)C(C)C 739509391 XCXSHHXCGSKZAZ-UHFFFAOYSA-N 290.794 3.787 30 20 CHED COc1cccc2cc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)oc12 839047131 UXGIUXVOXBLYQZ-YPMHNXCESA-N 299.326 3.681 30 20 CHED CC1(C)CC(=NNc2nccnc2Cl)c2ccoc2C1 733080363 LCJWGXLEWBMSMS-UHFFFAOYSA-N 290.754 3.512 30 20 CHED CC(=NNC(=S)N[C@@H]1CCCC[C@@H]1C)C1CCCC1 733076229 GZHSPBYGRVXFJI-SMDDNHRTSA-N 281.469 3.595 30 20 CHED C#CCCCCNC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C 838517871 XSMPXZXLMCDIPO-NUJGCVRESA-N 298.430 3.766 30 20 CHED CC(C)(C#N)CNC(=O)c1ccc(C(C)(C)C)c(Cl)c1 589485346 DPSVHBJUNZUURS-UHFFFAOYSA-N 292.810 3.917 30 20 CHED N#CCCCCOC(=O)c1c(Cl)cccc1Cl 912956742 VLRJAFWNXWCJSD-UHFFFAOYSA-N 272.131 3.844 30 20 CHED Cc1ccc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 830043454 WGAXMQPCNNZCNV-SMDDNHRTSA-N 296.461 3.592 30 20 CHED Cc1ccc(C#N)nc1N1CCC[C@@H](c2ccccc2)C1 596240058 QCHJQXZYNCCYTM-MRXNPFEDSA-N 277.371 3.646 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)NCC#Cc1ccccc1 590614867 AMBIFJHLYPZJQK-ROUUACIJSA-N 298.430 3.696 30 20 CHED C=CC[C@@H](NC(=O)N[C@H](C)CC(C)(C)C)c1ccncc1 838477192 OTAVFMUMPULKCD-UKRRQHHQSA-N 289.423 3.823 30 20 CHED Cc1c(C(=O)OCCCCC#N)oc2ccc(F)cc12 912958527 BDJHSLMOHUNWJV-UHFFFAOYSA-N 275.279 3.731 30 20 CHED Cc1oc(C)c(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1C 591808940 PUCUZJIKVJAJMO-GFCCVEGCSA-N 296.370 3.910 30 20 CHED C[C@@H](COCC1CC1)N[C@H]1CCCCc2cc(C#N)ccc21 593719727 PNNROVRQUHGQSI-LIRRHRJNSA-N 298.430 3.730 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\Cc2cc(Cl)ccc2C1=O 849245191 PFGIIAQCUFUKIE-XYOKQWHBSA-N 298.773 3.773 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2nc(C#N)c(Cl)s2)c1 590568956 DWYIHXWKNNMVNN-UHFFFAOYSA-N 295.707 3.677 30 20 CHED C#CCNC(=O)[C@@H](C)Sc1ccc(-c2ccccc2)cc1 917253928 OHTLHLBLDJVGOP-CQSZACIVSA-N 295.407 3.584 30 20 CHED CCn1c(SCC2(CC#N)CC2)nnc1-c1ccccc1 594881816 KFCQQWQXXVSLIE-UHFFFAOYSA-N 298.415 3.751 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N(C)[C@H](C#N)CC 847168920 PHDCKTNDCAYEJP-DZGCQCFKSA-N 252.402 3.744 30 20 CHED N#Cc1ccc(CCN2CC[C@H]2c2ccccc2)cc1 595343343 YGYZDPVABRUAHW-SFHVURJKSA-N 262.356 3.548 30 20 CHED Cc1ncccc1CSCCc1ccc(C#N)cc1 596361359 GBHYSWUKWYXCBN-UHFFFAOYSA-N 268.385 3.738 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc3c(c2)CCO3)c1 917539640 DPUZHRKDGOBZSS-UHFFFAOYSA-N 266.344 3.684 30 20 CHED C=C[C@H](C)ON=C1CCC(OC2CCCC2)CC1 844621234 XFJVQTWYUSVBCP-SFVWDYPZSA-N 251.370 3.835 30 20 CHED C=CCCSCC/N=C/c1cccc(OCC)c1O 849170837 VPQKBHQEYDKPPF-FOWTUZBSSA-N 279.405 3.519 30 20 CHED C(=NNc1ccc2ccccc2n1)c1c[nH]c2ncccc12 741756621 IMOTXTPFMDIZPB-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(C)nc1O 847743974 MCCGLUCCDMOWOJ-OSAQELSMSA-N 289.375 3.633 30 20 CHED Fc1ccc(-c2ccc(C=NNc3ncccn3)s2)cc1 912975161 HSTGUDZLHXYUIK-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Cc1ccc(OC(F)F)c(C=NOCc2cccnc2)c1 746586303 VXSGADMOXPLKNA-UHFFFAOYSA-N 292.285 3.542 30 20 CHED Cc1ccc(-c2ocnc2C(=O)OCCCCC#N)cc1 744140954 OKEFSJJWYJORIS-UHFFFAOYSA-N 284.315 3.501 30 20 CHED CC(=NNCc1ccc(Br)cc1)C1CCC1 747630158 JFCOLRSWQOZBFW-UHFFFAOYSA-N 281.197 3.715 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 684929393 YIMYYAWYYYQBRC-UTUOFQBUSA-N 292.345 3.714 30 20 CHED CC(C)(C)OCCC/N=C/c1cc(Cl)ccc1O 849171814 GONVYRYEZLJUID-MHWRWJLKSA-N 269.772 3.670 30 20 CHED CO[C@H](C=NNc1ncc(Cl)cc1Cl)CC(C)C 841610749 RYWHWDUZYQRDMU-JTQLQIEISA-N 290.194 3.847 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1ccc[nH]1 916316932 PVWNRRBPTUFEQN-UHFFFAOYSA-N 269.135 3.553 30 20 CHED N#CCCN(Cc1ccco1)Cc1cccc2c1CCC2 593564036 JCXWIAJEDLWJIO-UHFFFAOYSA-N 280.371 3.684 30 20 CHED CCCCCCCCC(=O)N1C[C@H]2[C@H](C1)C2(C)C 741979601 PFXXROLLVRCDKF-KBPBESRZSA-N 251.414 3.851 30 20 CHED C=C(C)COC(=O)CCCOc1ccccc1Cl 747939647 PMDJDOQGURMDPC-UHFFFAOYSA-N 268.740 3.618 30 20 CHED CCN(CC)c1ccc(/C=N/CC(C)(C)SC)c(O)c1 743502536 CRHIZPJLIPDXJC-GZTJUZNOSA-N 294.464 3.799 30 20 CHED COC(=O)/C=C\c1ccc(/C=C\C(=O)C2CCCCC2)o1 848638287 FBKIGHXMMBZQEU-HWAYABPNSA-N 288.343 3.628 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2ccc(Cl)nc2)c1 748998985 UPPNQRMVKCSLLM-XQRVVYSFSA-N 268.703 3.503 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc2c(c1)COC2 743438703 PCOCKZRHUCPGQW-UHFFFAOYSA-N 287.750 3.601 30 20 CHED CCOc1cccc(/C=N\C[C@H]2CCCC2(F)F)c1O 840710220 QWRXPNBUNHKNGN-HALGXTDHSA-N 283.318 3.645 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1nc(C)c(C)s1 683532088 RNWGTGYOEBJCLV-UHFFFAOYSA-N 292.429 3.650 30 20 CHED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)C[C@@H](C)CC(C)C)nc12 750724494 RTHSORBVUVEVLE-AAEUAGOBSA-N 298.390 3.515 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc(Nc2ccccc2)c1 753421803 IFEJTVLRSQKQCU-MRXNPFEDSA-N 280.327 3.889 30 20 CHED C#CC[C@H](NC(=O)Nc1cccc(F)c1)c1ccccc1 756868687 WQWBROSSOMYNSD-INIZCTEOSA-N 282.318 3.712 30 20 CHED Cc1ccccc1[C@H](C)C(=O)OCCCC(C)(C)C#N 923914422 YSNVEDBVEXMOKO-AWEZNQCLSA-N 273.376 3.972 30 20 CHED CCCn1nccc1CNc1ccc(OC(C)C)c(C#N)c1 850323663 TWHCWZGCWYONOI-UHFFFAOYSA-N 298.390 3.564 30 20 CHED O=C(O)c1ccc(NN=C2C[C@H]3CC[C@@H](C2)C3)cc1F 853354903 YHMSHNUCIPZFTD-AOOOYVTPSA-N 276.311 3.502 30 20 CHED COC(=O)c1ccc(/C=C2/C[C@H](C)c3ccccc3C2=O)[nH]1 751534793 FIOGKLFHKYOHHU-NIANNCQZSA-N 295.338 3.575 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2C[C@H](C)CC(C)(C)C2)cc1 753575564 LAXZTLVWLXCPAE-CABCVRRESA-N 286.419 3.845 30 20 CHED CC(CC(C)(C)C#N)=NNCCCc1ccccc1 853303596 YIQSJDIWCGCRAU-UHFFFAOYSA-N 257.381 3.525 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@](C)(F)CCCC)C1 855436740 JXYKRYKMVIJUIU-UKRRQHHQSA-N 255.377 3.720 30 20 CHED C[C@@H](CN[C@H](C)CC(C)(C)C#N)Cc1cccs1 925141782 CSCZEDDJAMPMRE-CHWSQXEVSA-N 264.438 3.845 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3cc(F)cc(F)c3)ccc21 751537095 ZYMXZVCUBUFYQG-HWKANZROSA-N 299.320 3.853 30 20 CHED C=CCN(C(=O)c1cc(Cl)cs1)C(C)(C)C 857651313 XJLAXUHOUPGJFQ-UHFFFAOYSA-N 257.786 3.828 30 20 CHED C=CCC[C@@H](C)N[C@H](C(=O)O)c1ccc2ccccc2c1 859810703 UXQHVCKQPRFQLY-DYVFJYSZSA-N 283.371 3.910 30 20 CHED CCCCOc1ccccc1NC[C@H](O)CC(C)(C)C#N 857238354 MSYCGCYGNOPKJV-CQSZACIVSA-N 290.407 3.578 30 20 CHED COc1cccc(CC(=NNc2cc(C)ccn2)C2CC2)c1 752731143 KOCQRPJBOQSXNH-UHFFFAOYSA-N 295.386 3.819 30 20 CHED C#Cc1cccc(NCc2ccc(O[C@@H](C)COC)cc2)c1 850236877 UFMLSZMXEBMJQV-HNNXBMFYSA-N 295.382 3.694 30 20 CHED CCN(CC)c1ccc(/C=C/C(=O)c2ccnc(O)c2)cc1 752878882 STYYHLJAGFZQNH-JXMROGBWSA-N 296.370 3.530 30 20 CHED CO[C@H](CNc1snc(Cl)c1C#N)C1CCCCC1 853963029 WBGKCKIXYGYZSH-LLVKDONJSA-N 299.827 3.675 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)c1nc(C(C)C)no1 759008649 UJZGMSXHOVPLRQ-NSHDSACASA-N 278.352 3.566 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCc1ccc(F)cc1F 754074975 HJGKALFSODAISL-SOFGYWHQSA-N 299.276 3.593 30 20 CHED Clc1csc(C=NNc2cccc3cnccc23)n1 758121462 XUSXEEOUQGCQSG-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C[C@](C#N)(NC(=O)[C@H](F)c1ccccc1)C1CCCCC1 769472841 CSKOJVPDHSRIFP-NVXWUHKLSA-N 288.366 3.676 30 20 CHED Fc1cccc(F)c1NN=Cc1cccc(-n2cccn2)c1 760258830 OMWGADYYWCIYQY-UHFFFAOYSA-N 298.296 3.597 30 20 CHED Cc1ccc(/C=C2\CCc3scnc3C2=O)cc1C 863196349 GIUHUSLFWUMDMY-MDWZMJQESA-N 269.369 3.972 30 20 CHED C#CCN(C(=O)c1ccc(-c2ccc(C)o2)s1)C1CC1 763796993 UWYRNJMIWGBGRI-UHFFFAOYSA-N 285.368 3.554 30 20 CHED C#CCOCCC(=O)Nc1ccc(-c2ccccc2)c(C)c1 762515439 PMCMNRCMTOZVRF-UHFFFAOYSA-N 293.366 3.640 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)Nc1sccc1C#N 931830511 KLUDKPPVRKUZMR-UHFFFAOYSA-N 299.399 3.901 30 20 CHED C#C[C@@H](C)N(C)Cc1nc(C2CCCCC2)cs1 769975915 OJPZBHALDFHAPZ-GFCCVEGCSA-N 262.422 3.644 30 20 CHED C#CCN(C(=O)N[C@@H](c1ccccc1)C(CC)CC)C1CC1 764676212 GSPSWGZZUORZRK-GOSISDBHSA-N 298.430 3.971 30 20 CHED C=CCCC(=O)O[C@@H](c1ccc(OC)cc1C)C1CC1 766593475 KYCPVNXAEUSJDL-QGZVFWFLSA-N 274.360 3.964 30 20 CHED CCCCCCCNC(=O)[C@@H](C)c1ccsc1 862358920 ZKSOLBMTXSFERS-LBPRGKRZSA-N 253.411 3.938 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Oc1ccc(C#N)cc1F 769739460 PEZQYFGTXXLBCV-AAEUAGOBSA-N 275.323 3.819 30 20 CHED CCCCCC[C@@H](C)NN=C1CCC[C@H]1OCC 766454485 HXEPYHPGBGMUIZ-UKRRQHHQSA-N 254.418 3.880 30 20 CHED C=CCCc1nnc([C@H](C)Oc2cccc(Cl)c2)o1 1117285549 ZZWDFWNYGDUACQ-JTQLQIEISA-N 278.739 3.982 30 20 CHED COc1ccc(NN=C2C[C@@H](OC(C)C)C2(C)C)cc1 764908738 NCXGPWJZLWYTEJ-OAHLLOKOSA-N 276.380 3.687 30 20 CHED N#Cc1ccccc1NCc1cc(F)c(F)c(F)c1 62705642 BNIDUQICMPLHCC-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CC#CCCOC(=O)[C@H](C)Sc1ccc(Cl)cc1 760294333 HNJOFPUVZWENGD-NSHDSACASA-N 282.792 3.777 30 20 CHED COc1cc(Br)ccc1NC[C@H](C)CCC#N 877700058 AUDARJRJACTQPB-SNVBAGLBSA-N 297.196 3.809 30 20 CHED C#CCCCCCC(=O)N(CC(F)(F)F)C1CCC1 779977579 NHEXEYYRJVIGOB-UHFFFAOYSA-N 275.314 3.514 30 20 CHED N#CCc1cccc(NCc2csc3ccccc23)n1 771756320 GAIRPWNOIMGHEW-UHFFFAOYSA-N 279.368 3.974 30 20 CHED COc1cc(C#N)ccc1OC(=O)C1C[C@H](C)C[C@@H](C)C1 779738179 SZTYUGSLMZCOSR-VXGBXAGGSA-N 287.359 3.545 30 20 CHED N#Cc1c(F)cccc1C(=O)OC/C=C/c1ccccc1 778372019 PQBOZBNMZXAKDB-VMPITWQZSA-N 281.286 3.568 30 20 CHED CCCCCCCCC(=O)N(C)[C@@H](C)C1CCN(C)CC1 778406725 ICMICIGGUNSSAJ-INIZCTEOSA-N 296.499 3.926 30 20 CHED O=C(/C=C/c1cccc(OC(F)(F)F)c1)c1cscn1 776192238 MYYTVPQQWRRDRX-SNAWJCMRSA-N 299.273 3.938 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)c2cc(C)oc2C)c1 1115949128 APYQPFJRMQFSQE-GFCCVEGCSA-N 298.411 3.925 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 777912075 RGBMFKSJGGXCHC-XBXARRHUSA-N 289.237 3.769 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](c2ccccc2)C1 878530399 UHJHWHRKBGRQFG-OAHLLOKOSA-N 257.377 3.605 30 20 CHED Fc1ccc2c(c1)C(=NOC1CCCC1)CCCO2 774603477 VCSIAIIHLOOLBR-UHFFFAOYSA-N 263.312 3.662 30 20 CHED CC1(C)CCC[C@H]1C(=O)OCc1ccc(CC#N)cc1 772604130 AWJIUVMUXHQDAL-HNNXBMFYSA-N 271.360 3.622 30 20 CHED C=C(C)CON=C(C)c1ccc(OC(F)F)c(OC)c1 771652400 PQSZVQQWJILMEE-UHFFFAOYSA-N 285.290 3.613 30 20 CHED C[C@H]1CC[C@H](CC(=O)OCc2cccc(C#N)c2F)C1 774968485 DTRYJDDMRUIDCW-RYUDHWBXSA-N 275.323 3.567 30 20 CHED C#CCN(Cc1sccc1OC)[C@H]1CCc2ccccc21 772596889 BRYYUDOFZOWFAG-INIZCTEOSA-N 297.423 3.879 30 20 CHED CCOc1ccccc1C=NOCc1ncc(Cl)s1 774720173 VUECPXKHKIFNEE-UHFFFAOYSA-N 296.779 3.746 30 20 CHED C=C(Cl)CNC(=O)CC1(CSc2ccccc2)CC1 770240526 JKXWQXXDUNUEKP-UHFFFAOYSA-N 295.835 3.818 30 20 CHED Oc1ccc(-c2ccccc2)cc1C=NOC1CCOCC1 774453130 OMQBIZKQIKELSR-UHFFFAOYSA-N 297.354 3.589 30 20 CHED N#CCCCCCC(=O)Nc1c[nH]c2ccccc12 888115363 RCNWSLAAXQZLEB-UHFFFAOYSA-N 255.321 3.580 30 20 CHED Cc1cccc(C(=O)O[C@H](C#N)C2CCCCC2)c1C 776361023 IHXGXPDQDVWVLM-MRXNPFEDSA-N 271.360 3.933 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccnc(Cl)c1 782194453 OWXWKWJHORNALZ-UPHRSURJSA-N 279.673 3.909 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 784748347 WCJJJYFNABZKST-WHWKNOJMSA-N 288.778 3.505 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccc(F)c(F)c3)cn2c1 789131004 SVGIXIJVRARCSF-GQCTYLIASA-N 298.292 3.817 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1C[C@H]1c1cccc(F)c1 788318027 LKRBIIPGYHRJQC-RDUZZNEKSA-N 285.318 3.515 30 20 CHED N#CC1(C(=O)OCc2csc(C3CC3)n2)CCCCC1 783175668 OBPVAZLBHMYFPZ-UHFFFAOYSA-N 290.388 3.538 30 20 CHED Clc1cccc(CNN=Cc2cc3ccccc3[nH]2)c1 788434744 VXMCRUQZIVJHPF-UHFFFAOYSA-N 283.762 3.945 30 20 CHED CC1(C)C[C@@H](NN=Cc2ccc(C(C)(C)C)cc2)CCO1 780250510 PQZNRBHHLUHVQM-INIZCTEOSA-N 288.435 3.865 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2C2CC2)n(C)n1 789156451 OLZSKLKJRAFZJJ-MDZDMXLPSA-N 266.344 3.502 30 20 CHED CCc1ccc(NC(=S)N2CCC[C@@](C)(C#N)C2)cc1 783773907 PBYUQJLNFYVBJU-INIZCTEOSA-N 287.432 3.571 30 20 CHED CC(C)(C#N)CCOC(=O)C1(C)CCCCCC1 781299099 FCHXWJKDXZBQKC-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C=CCC(C)(C)c1noc(-c2cnn(CC)c2C2CC2)n1 896327868 HFAPMQGGFLDLAJ-UHFFFAOYSA-N 286.379 3.684 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1sc2ccccc2c1C 1138086055 JCIXEEOBVUIMLR-VXGBXAGGSA-N 286.400 3.937 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(Cl)nc1C 788808543 ZHBSUEMRJGMMKK-NSHDSACASA-N 279.771 3.616 30 20 CHED CC(C)(C#N)CCCNc1ccc(F)c(F)c1F 87597014 MMUGVMDSSQPBRZ-UHFFFAOYSA-N 256.271 3.846 30 20 CHED CCCCCCCN[C@H](C)c1ncc(C(=O)OC)s1 703712281 BTQUCNXIPGPUAH-LLVKDONJSA-N 284.425 3.551 30 20 CHED C=CCCCOc1cc(Br)ccc1C(C)=O 168982650 CJIAXVHAOLTPFZ-UHFFFAOYSA-N 283.165 3.997 30 20 CHED CCC(=O)N1CCc2ccc(N[C@H](C)CC(C)(C)C#N)cc21 897767191 NZMHTCGUWABPFX-CYBMUJFWSA-N 299.418 3.726 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(C)c1snc(C)c1C#N 891426060 POAVJTOFYFYKTK-VXGBXAGGSA-N 291.420 3.502 30 20 CHED CSCCOC(=O)c1sc2ccc(C#N)cc2c1C 796615816 SBCCDPLUUFDRJS-UHFFFAOYSA-N 291.397 3.601 30 20 CHED N#C[C@@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 896500299 CLYVDPAIBRBKTQ-VIFPVBQESA-N 274.311 3.502 30 20 CHED N#Cc1sc(N(Cc2cccs2)C2CC2)nc1Cl 278735138 QJNZBPUXXQIODT-UHFFFAOYSA-N 295.820 3.899 30 20 CHED C=C1CCC(C(=O)N2CCC([C@@H]3CCCCO3)CC2)CC1 898789641 OJWYVEIZBXOHSI-KRWDZBQOSA-N 291.435 3.541 30 20 CHED N#Cc1ccc(C2CCN(CCC3CC3)CC2)cc1 1208687359 BHRNVDWIFOUNEG-UHFFFAOYSA-N 254.377 3.538 30 20 CHED C#CCCCC(=O)O[C@H](C)c1ccc(C(F)(F)F)cn1 798674484 VGEVXYKJDDEDMR-SNVBAGLBSA-N 285.265 3.508 30 20 CHED CC(C)[C@@H](C(=O)OCCCC(C)(C)C#N)c1cccnc1 797906496 XCAMNEGEHGGQEP-OAHLLOKOSA-N 288.391 3.694 30 20 CHED CCSC1(CNc2nc(C)c(C#N)cc2Cl)CC1 596510040 AQPCONFUWMKFDB-UHFFFAOYSA-N 281.812 3.613 30 20 CHED CCC1(CC)CCN(C(=O)C2(C#N)CCCCC2)CC1 62959327 INSRNIYCLJZMBJ-UHFFFAOYSA-N 276.424 3.889 30 20 CHED CSCCON=Cc1csc(-c2ccsc2)n1 794573438 BQUFGUZOEYLDQO-UHFFFAOYSA-N 284.431 3.585 30 20 CHED C=CCCN(CC1CC(OCC)C1)OCc1ccccc1 796033662 LFBHNAPOQDVDQH-UHFFFAOYSA-N 289.419 3.811 30 20 CHED C=CCCCOC(=O)c1cc(C(F)(F)F)ccc1F 761242078 XKRXGTPVSPGRSF-UHFFFAOYSA-N 276.229 3.968 30 20 CHED C=CCC(C)(C)C(=O)OCc1nc2ccccc2nc1C 796473174 FEQMMIRPTYFOQI-UHFFFAOYSA-N 284.359 3.584 30 20 CHED CC[C@@H](C)N(C(=O)c1ccc(C)c(C#N)c1)[C@H](C)CC 799363518 HFHJJQAUFUGZLL-ZIAGYGMSSA-N 272.392 3.906 30 20 CHED CC1(C)CCC[C@@H]1NN=C1CCC[C@@H]1c1ccccn1 794935612 JAONVCTZIGSOSS-CJNGLKHVSA-N 271.408 3.873 30 20 CHED C#CCCCCCC(=O)Nc1c(Cl)ccc2c1CCO2 797335752 RCPOTRXADXPMSS-UHFFFAOYSA-N 291.778 3.797 30 20 CHED C#CCCN(CCC)Cc1c(F)cccc1Cl 760820140 OIQKNCGVWDQWSE-UHFFFAOYSA-N 253.748 3.714 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNc1ncncc1Cl 797403372 KFSSQTPRRUKLGF-NXEZZACHSA-N 266.776 3.744 30 20 CHED N#Cc1cc(F)ccc1CN1CCC2(CCCC2)CC1 584497078 HTHFFSMLTKOVRB-UHFFFAOYSA-N 272.367 3.854 30 20 CHED CC1(C)CCC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 94321535 HGCVNYDKRFELRF-PQUAAJSLSA-N 268.404 3.779 30 20 CHED C[C@]12CN(c3cccc(F)c3C#N)C[C@H]1[C@H]1CC[C@@H]2C1 1164261689 XLIBEKOGDLEQSS-GMIGKAJZSA-N 270.351 3.570 30 20 CHED CCc1nc(C#N)cc(NCC2(CC)CCCCC2)n1 1163000047 DZOKEIRHZUTJSX-UHFFFAOYSA-N 272.396 3.683 30 20 CHED CN(CCC#N)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1318229415 CAFAHDWTKDXYMR-UHFFFAOYSA-N 299.201 3.643 30 20 CHED C#CCCCc1nnc([C@H](CC)c2ccccc2)o1 1327042847 SAQUHGWNDULOIU-CQSZACIVSA-N 254.333 3.567 30 20 CHED Nc1cnnc(NN=C2CCCCC23CCCC3)c1Cl 1330311362 YIVSZVCONPYPMA-UHFFFAOYSA-N 293.802 3.615 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc2ccccc2c1 1255018483 GBNPTYVBTKLBBI-SUMWQHHRSA-N 255.361 3.691 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)N(C)[C@@H](C)CC#N)c1C 1337809516 UHZJLKDFLVPKLX-LBPRGKRZSA-N 296.370 3.938 30 20 CHED C[C@@H]1CN(CCc2ccc(C#N)cc2)Cc2ccccc21 1197552432 JPMPICLPXWNTGF-OAHLLOKOSA-N 276.383 3.720 30 20 CHED C#CCN(C/C(C)=C\c1ccccc1COC)CC1CC1 1343961002 HUECGAHXUJSXGS-VBKFSLOCSA-N 283.415 3.582 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)c1csc(C#N)c1 1261260240 GYHCNBRJYNXEHA-CYBMUJFWSA-N 276.405 3.661 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 1263703381 RAIXXRDUXFYNSY-JTQLQIEISA-N 293.317 3.575 30 20 CHED N#C[C@@H](C(=O)c1cc2ccccc2s1)c1cccc(F)n1 1342641470 MQAOFXBDHDUKEY-LLVKDONJSA-N 296.326 3.925 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 1347521819 MLUKHTRUZGCANQ-OAHLLOKOSA-N 268.360 3.739 30 20 CHED CCN(Cc1cc(C#N)ccn1)c1cccc(C)c1C 1191654267 GDAOOMYAFUUMBV-UHFFFAOYSA-N 265.360 3.597 30 20 CHED C=CC(C)(C)C(=O)N1CC(Cc2c(F)cccc2Cl)C1 1261260827 ZKOVKFZREGCUGK-UHFFFAOYSA-N 295.785 3.692 30 20 CHED CCC(CC1CCCCC1)=NNCC1CCOCC1 1348850097 HXMXRCXVGZXDCS-UHFFFAOYSA-N 266.429 3.739 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1cc(C#N)ccc1F 1436644024 KMMKYQXYVBKIIH-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#CC1(CC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)CCCCC1 1352043612 MTHQRKWYLCWYAB-JYJNAYRXSA-N 288.435 3.793 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccc(F)c(C#N)c2)[C@H](C)C1 1360860090 DUQNLIZSTTZUMB-UEKVPHQBSA-N 275.323 3.679 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(C(F)F)c2)cs1 1519976694 IXQREGVRSNTUKN-UHFFFAOYSA-N 278.283 3.810 30 20 CHED Cc1cccc(C(=O)Nc2ccc(C#N)cc2Cl)c1 225783791 POQBIASDZYJOCI-UHFFFAOYSA-N 270.719 3.772 30 20 CHED O=C(O)CCC[C@@H]1CCCC(=NOCC2CCC2)C1 1608709990 ZQPZVSOKUKXJIL-LBPRGKRZSA-N 267.369 3.604 30 20 CHED CCCC[C@@H](SCc1ccc(C#N)c(C)c1)C(=O)O 1609965971 BUFMNRKJINNKTO-CQSZACIVSA-N 277.389 3.743 30 20 CHED COc1ccc(NC(=O)C2(CC(C)C)CCC2)cc1C#N 1532697413 WRYGGRPJDYNFGM-UHFFFAOYSA-N 286.375 3.722 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)[C@H](CC#N)c2ccccc2)C1 1538411264 NNHMCFTWGGNFEQ-BFYDXBDKSA-N 284.403 3.721 30 20 CHED N#Cc1cc(C(=O)Nc2c(F)cccc2Cl)ccc1F 1538366525 SJXWNOADIGPDOG-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCCN(C(=O)c1ccc(C#N)s1)c1ccccc1F 1461583200 HROLJYRTOXPWJK-UHFFFAOYSA-N 288.347 3.816 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cccc2[nH]ccc12 1536751874 OBTIZHDVZNWMPV-UHFFFAOYSA-N 275.311 3.600 30 20 CHED N#Cc1cnc(N2CC3(CCC3)c3ccccc32)c(F)c1 1472755761 AODXZJGCZFCIPK-UHFFFAOYSA-N 279.318 3.666 30 20 CHED Cc1cccnc1NN=C1CCC[C@H](CCCC(=O)O)C1 1610534953 LTEFWOWFQYFYKC-CYBMUJFWSA-N 289.379 3.603 30 20 CHED C[C@H]1CCCC[C@]1(C)NCc1cccc(F)c1C#N 1621376444 BVLXFCUCJSZZMQ-LRDDRELGSA-N 260.356 3.756 30 20 CHED Cc1cc(C#N)nc(NCC[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 1639858609 LIELIFHZRKNAIS-TZMCWYRMSA-N 286.423 3.921 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 229747663 IXLNNJAJWROYQL-UHFFFAOYSA-N 288.753 3.983 30 20 CHED COc1ccc(CSc2ccnc(C#N)c2)cc1Cl 1639878776 HOTZRSIHWYGMJE-UHFFFAOYSA-N 290.775 3.908 30 20 CHED Cc1cc(C#N)ccc1COc1cccc(C)c1F 230224712 KHWQZKIVDRHTKN-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)Nc1cc(F)cc(C#N)c1 1563172526 LOZCEMXXEXHHBW-HNNXBMFYSA-N 289.354 3.740 30 20 CHED Cc1nnc(Nc2ccc(C3CCC3)cc2)c(C#N)c1C 1642641271 JULMCXVFTBEIDT-UHFFFAOYSA-N 278.359 3.976 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(OC(C)C)cc2C)n1 1650651354 FVWQBJRXKUWBEK-UHFFFAOYSA-N 296.374 3.750 30 20 CHED C=C(Br)CN1CCC[C@H]1CCC(C)C 1653768261 VJYBDKQEZAZJNP-LBPRGKRZSA-N 260.219 3.796 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CSCC1(C)CCCCC1 1652845953 CNUKFNSZOOJBGJ-AWEZNQCLSA-N 296.480 3.698 30 20 CHED CCc1ncc(COc2c(C#N)cnc3ccc(C)cc23)o1 1656585023 SSRROCKHEGCTQU-UHFFFAOYSA-N 293.326 3.544 30 20 CHED CC1(C)COc2ccc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)cc21 1584703618 VLUMXLSZEHHAOM-TZMCWYRMSA-N 299.370 3.596 30 20 CHED Cc1ccc(C=NNc2cccc(C(=O)O)c2C)c(C)c1 1776086261 JWTUYJFCBHQFAW-UHFFFAOYSA-N 282.343 3.756 30 20 CHED Cc1ccc(C)c(N/C(S)=N\Cc2cccn2C)c1 13879188 OYHDMXUZYZWYHJ-UHFFFAOYSA-N 273.405 3.540 30 20 CHED CC1(C)CCC(CC(=O)N[C@@H](C#N)C(C)(C)C)CC1 161898962 NOZRNIZMANVLBJ-ZDUSSCGKSA-N 264.413 3.647 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1F)c1cccnc1 152591533 WCYIYVWQWFNJOB-ZZXKWVIFSA-N 261.683 3.770 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 153910148 KYJMLSHYXILXPA-WDEREUQCSA-N 285.309 3.575 30 20 CHED CC[C@H]1CCC[C@H]1NCc1ccc(N(C)CCC#N)cc1 154134460 FQPVQFMPVHBJMR-FUHWJXTLSA-N 285.435 3.705 30 20 CHED CC[C@@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 154592198 FKEIKONRKHSWQV-CYBMUJFWSA-N 293.370 3.830 30 20 CHED CCC(C)(CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 159578743 UOQXWTIBQGBTLM-LBPRGKRZSA-N 274.364 3.742 30 20 CHED COc1cc(C#N)ccc1Cn1cnc2cc(C)c(C)cc21 159591822 OBUKUXTYMKXMLN-UHFFFAOYSA-N 291.354 3.582 30 20 CHED Cc1cc(Cl)ccc1NC(=O)CNc1cccc(C#N)c1 15294347 MDNNEPVJDVTTKV-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C[C@@H]1OCC[C@@H]1Sc1c(Br)cccc1C#N 865639312 QWZACCKHYFMOIW-KWQFWETISA-N 298.205 3.590 30 20 CHED C=CCOc1ccccc1CNc1ccnc(Cl)c1 129864955 HNLHJXCHWRXNDB-UHFFFAOYSA-N 274.751 3.912 30 20 CHED C=CCCS[C@@H](C)C(=O)N(CC)Cc1ccccc1 151969203 HWLQYOOIJZZXFL-AWEZNQCLSA-N 277.433 3.733 30 20 CHED CN(Cc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 29482175 CHQXWDLPJMFTKQ-SFHVURJKSA-N 262.356 3.678 30 20 CHED Cc1ccc(C#N)cc1OCc1ncc(C(C)C)o1 700823130 HFTYLIKSMJRXJJ-UHFFFAOYSA-N 256.305 3.557 30 20 CHED COc1cccc(CNc2ccc(C#N)cc2Cl)c1 62790956 IUPUFCSMDXFAPH-UHFFFAOYSA-N 272.735 3.832 30 20 CHED N#Cc1cc(F)c(NCc2ccccc2F)c(F)c1 63507926 BYNAWJFGTOYAJD-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=CC1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 301628980 RUDDCQJEFNMVPM-UHFFFAOYSA-N 280.293 3.979 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(C#N)cc1OC 308058894 VDUAAJWFGLJLOK-CYBMUJFWSA-N 274.364 3.578 30 20 CHED N#Cc1ccc(CNC(C2CCC2)C2CCC2)cc1F 404238405 VKSDNSSMHCHCRZ-UHFFFAOYSA-N 272.367 3.756 30 20 CHED CCSCC[C@H](C)Nc1ncc(C#N)cc1Cl 78675586 WZYQIROFIUOLAJ-VIFPVBQESA-N 269.801 3.550 30 20 CHED N#CCc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 313430458 UGDAKJGNXZQLDB-QRIFCXAISA-N 266.388 3.989 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(C#N)cc1 339133505 DBSIAYPUBBXEHG-JTQLQIEISA-N 282.734 3.651 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2csc3ccccc23)C1 397586559 JADQPJPIMCBHMZ-LBPRGKRZSA-N 284.384 3.667 30 20 CHED N#CC[C@@H]1CCCN(CCCCc2ccccc2)C1 397742572 NMJXPFQFHGBJQZ-KRWDZBQOSA-N 256.393 3.635 30 20 CHED C#CCN(Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1 781349880 GSISEVFTRKQERX-SFHVURJKSA-N 299.801 3.509 30 20 CHED CC(C)(C)CN(CCC#N)CCc1cccs1 109813480 HYEJENCQDKFOJK-UHFFFAOYSA-N 250.411 3.552 30 20 CHED CC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 224426596 MRWHOSANNIIMOV-UHFFFAOYSA-N 254.255 3.789 30 20 CHED C#CCCCCC(=O)Nc1ncc(Cc2ccccc2)s1 179770037 KVAYALUHUCGHON-UHFFFAOYSA-N 298.411 3.866 30 20 CHED CC(C)(NCCCCC#N)c1ccc(Cl)cc1 103481966 HXZPITKMCVYDNA-UHFFFAOYSA-N 250.773 3.859 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1cnn(C(C)C)c1)C2=O 171981943 NEWRFBQRQXOLIW-CHHVJCJISA-N 296.370 3.740 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(N(C)CC(C)C)cc1 63474639 AEBQXWLVMDFCPG-UHFFFAOYSA-N 288.435 3.817 30 20 CHED CC(C)(C)c1noc(CSc2ccccc2C#N)n1 172680067 ICTLZPCEJHHPLG-UHFFFAOYSA-N 273.361 3.531 30 20 CHED CCCCCCC(=O)Nc1ccnn1-c1ccc(C#N)cc1 112832690 XIOWMXNQMZKZBL-UHFFFAOYSA-N 296.374 3.653 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc3cccnc23)C1 185788720 QNIBICKBXLRNIS-TZMCWYRMSA-N 251.333 3.729 30 20 CHED C=CC[C@H](C)NC(=O)NCc1c(OC)ccc2ccccc12 116937143 APAUGXSDUOOEFV-ZDUSSCGKSA-N 298.386 3.612 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 177026605 JTWDLINCORUINT-HOTGVXAUSA-N 273.351 3.566 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](CC)c1ccc(C)cc1 69323226 PEEQYPPUTXFCMB-ZBFHGGJFSA-N 275.392 3.544 30 20 CHED C=CCCSc1ncnc2c1cnn2Cc1ccccc1 28894959 XMNMMOANXXQMDU-UHFFFAOYSA-N 296.399 3.543 30 20 CHED C=CCCCC(=O)N(CC=C)Cc1ccc(OC)cc1 175465369 NLXMIGVDJHNACV-UHFFFAOYSA-N 273.376 3.566 30 20 CHED C=CCCCC(=O)Nc1ccc(OC(F)F)cc1 175099264 HNXADROJERVTOC-UHFFFAOYSA-N 255.264 3.583 30 20 CHED Cc1occc1CN(C)c1c(Cl)cccc1C#N 301383949 VYCJWIGNIZFXLF-UHFFFAOYSA-N 260.724 3.750 30 20 CHED COc1ccc(CNCc2c(C)cc(C)cc2C)cc1C#N 174323254 TUUMQXURWHMDBU-UHFFFAOYSA-N 294.398 3.782 30 20 CHED N#Cc1nccnc1Nc1cccc(-c2cccs2)c1 301191320 RXTQUFUKTSSBMP-UHFFFAOYSA-N 278.340 3.820 30 20 CHED C=CCCCCCN(C)CCc1csc(C)n1 124298810 SWFXWBCDQJFPCW-UHFFFAOYSA-N 252.427 3.672 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 174324534 XQLXQMXAFUHXER-JTQLQIEISA-N 286.297 3.878 30 20 CHED C=CC1CCN(c2ccc(C(F)(F)F)cn2)CC1 110595637 WWZZFOUUKGMIRW-UHFFFAOYSA-N 256.271 3.503 30 20 CHED Cc1cc(CN(CCC#N)CC2CC2)c2ccccc2n1 174697627 ZRBUZQJOCGIDCK-UHFFFAOYSA-N 279.387 3.669 30 20 CHED CC[C@@H](C)NC(=O)[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 172418411 PFMXVGAOWNDBSO-FRRDWIJNSA-N 290.432 3.656 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)C(=O)C1(C#N)CCCC1 123171779 NUNNRRDLPBVOHN-UHFFFAOYSA-N 294.757 3.521 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccc(C#N)c(Cl)c1 68429214 AQTPZRGIFXRWIW-UHFFFAOYSA-N 281.746 3.720 30 20 CHED CCc1cccc(CC)c1N/C(N)=N/CC(C)(C)SC 304759411 RDXOURTXEFZEQH-UHFFFAOYSA-N 293.480 3.680 30 20 CHED C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc23)C[C@H]1C 301440713 MDNFAOYTAXKAMR-GHMZBOCLSA-N 285.778 3.852 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(CC)nc(C)n1)c1ccccc1 188270878 OZEILGBBBPSWQQ-MRXNPFEDSA-N 295.386 3.646 30 20 CHED CC#CCCCc1nc(-c2cccc(Cl)c2)no1 184862107 GHGGLJWLYGPGMA-UHFFFAOYSA-N 260.724 3.736 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cc2c(s1)CCCC2 321447721 NNSVGUDQDXMOLB-GXTWGEPZSA-N 279.449 3.605 30 20 CHED COCc1ccccc1NCCCOc1cccc(C#N)c1 127721841 MOVNUOGQFYXODS-UHFFFAOYSA-N 296.370 3.586 30 20 CHED CC[C@@H]1C[C@]1(NC(=O)NCCCCC#N)c1cccc(C)c1 507185133 WCHFQOVBJFZWCU-CRAIPNDOSA-N 299.418 3.613 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1 73769835 VJXRPDIGZMBJOI-ZDUSSCGKSA-N 281.359 3.520 30 20 CHED N#Cc1c(F)cccc1Nc1ccc2[nH]ccc2c1 74259456 ZSBLDSVEAOYVJU-UHFFFAOYSA-N 251.264 3.922 30 20 CHED N#Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1Cl 37388948 RSMWQGXXSHBSFO-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 212837468 UYRNNSUKIRRBDZ-CJTWTEFWSA-N 255.361 3.657 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)Cc1cc(Cl)ccc1Cl 122322377 UWWDXTJTNYERCA-GFCCVEGCSA-N 299.201 3.590 30 20 CHED Cc1ccc(OC2CCN([C@@H](C)CCC#N)CC2)cc1C 411172616 MPDRWMYDOZINNO-INIZCTEOSA-N 286.419 3.839 30 20 CHED C[C@H](CC(=O)N(C)CCC#N)c1ccc(C(F)(F)F)cc1 72030012 GXCVWAOKNVGOJL-LLVKDONJSA-N 298.308 3.571 30 20 CHED C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(OCC#N)cc1 180547900 PVGZCTPJBUBOKS-IFXJQAMLSA-N 292.382 3.612 30 20 CHED CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 35256358 OLPRLUNOLBOQLG-CQSZACIVSA-N 280.371 3.808 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(C)c(-c2ccccc2)n1 410798968 UPVOCZPSTMDADG-SFHVURJKSA-N 295.386 3.993 30 20 CHED Cc1ccc(C)c(C(=O)[C@H](C)Sc2cc(C#N)ccn2)c1 71918325 UHEBIMBBDORSMP-ZDUSSCGKSA-N 296.395 3.934 30 20 CHED C=CCCCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505913393 SQURIWFLMCMZCK-ZDUSSCGKSA-N 296.292 3.743 30 20 CHED C[C@H](NC(=O)c1cccc(F)c1C#N)[C@@H](C)c1ccccc1 188412443 VPQRSCPUUCIPDP-OLZOCXBDSA-N 296.345 3.619 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(C(C)C)on1 120830348 HWIXXBFENKXZDC-UHFFFAOYSA-N 298.386 3.669 30 20 CHED C=CCCCN(C)C(=O)c1cc2ccccc2n1CC 76491967 KBSJIXPNLQLPDD-UHFFFAOYSA-N 270.376 3.699 30 20 CHED CCCc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)C(C)C)cc1 73087219 KNPFPFMNQTWURA-LBPRGKRZSA-N 297.420 3.576 30 20 CHED N#Cc1cc(N(CC2CC2)CC2CC2)nc2ccccc12 70505665 POWXDRGKJHZIHN-UHFFFAOYSA-N 277.371 3.733 30 20 CHED CC(C)Oc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 189581648 XFUCSUXUJPWCCA-CQSZACIVSA-N 297.402 3.535 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)CCCCC#N 75886028 BDPPKCKKTCDPCU-KRWDZBQOSA-N 258.409 3.942 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416079817 NUAAIGQLHNXXMM-AWEZNQCLSA-N 269.388 3.935 30 20 CHED C=CC[C@H](C(=O)N(C)CC1CCC1)c1ccccc1 187878922 FAZXTKGTTXNODL-INIZCTEOSA-N 257.377 3.605 30 20 CHED C=C(C)CSc1nnc(COc2ccc(Cl)cc2)o1 79438201 OITKVZFEELQSDU-UHFFFAOYSA-N 296.779 3.970 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1cccc(F)c1 182629831 PCOJNSMQGGVDQG-CHWSQXEVSA-N 263.356 3.790 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](c2ccccc2)C1 134993238 BKQPQIWTQHXMCF-WBVHZDCISA-N 257.377 3.605 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2ccccc2C#N)c1 130257944 ULISCNXSNHGGHY-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED C=CCCCCCN(C)CN1C(=O)C[C@H]1c1ccccc1 131396412 BQFYDYWOUGJWIL-KRWDZBQOSA-N 286.419 3.596 30 20 CHED C=CCNC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 42925217 AAHWRJGFDFAOEW-GOSISDBHSA-N 292.382 3.530 30 20 CHED CCc1nnc(-c2cccc(N[C@H]3CCC[C@@H](C#N)C3)c2)o1 185749358 XEVGBUOJGKAZKQ-OCCSQVGLSA-N 296.374 3.793 30 20 CHED OC(CC1CCCC1)=Nc1cccc(-c2cnn[nH]2)c1 329550397 CQDDCNJSHREZBV-UHFFFAOYSA-N 270.336 3.640 30 20 CHED CC1(C)C[C@@H](/N=C(/O)c2ccnc(C3CC3)c2)C(C)(C)O1 329322070 GWMZNRNXYZHYCR-CQSZACIVSA-N 288.391 3.610 30 20 CHED CC(C)CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411253885 HFRSQHXMHDDVNB-XOKHGSTOSA-N 284.403 3.603 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 135120054 OLZBOPJBRCJXIX-PXAZEXFGSA-N 299.374 3.516 30 20 CHED CC(C)(C#N)CCOc1ccc(Br)cc1 83639004 LSGWUXSOSGJMSD-UHFFFAOYSA-N 268.154 3.768 30 20 CHED Cn1cc(/C=C2/Cc3cc(Cl)cc(Cl)c3C2=O)cn1 132342543 DABGKCCZFGEYQO-SGAXSIHGSA-N 293.153 3.549 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC(C)C)c1ccccc1 341876552 NFLJQVXUAYXHQS-NVXWUHKLSA-N 261.409 3.548 30 20 CHED CCC[C@@H](CC)NC(=O)N[C@H](CCC#N)c1ccccc1 132445823 PYEHRFWYRHNUCY-HZPDHXFCSA-N 287.407 3.909 30 20 CHED C[C@@H](NC(=O)Nc1ccccc1F)c1ccc(C#N)cc1 47956013 QGDJYTCKVNROBU-LLVKDONJSA-N 283.306 3.580 30 20 CHED COc1cc(SC)ccc1NCc1cc(C#N)cs1 194498664 WLCIQCHBSPYDKR-UHFFFAOYSA-N 290.413 3.962 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(NC(C)=O)c1 134983648 CRLOJBQDZCKWOH-HNNXBMFYSA-N 294.782 3.839 30 20 CHED CC(C)CC/C(N)=N/OCc1ncc(-c2ccccc2)o1 89126394 VAGUEZSSBZRRCX-UHFFFAOYSA-N 287.363 3.567 30 20 CHED Cc1nc(N[C@@H]2CCSc3ccccc32)ccc1C#N 291689151 SGULMFYYWWZXQX-CQSZACIVSA-N 281.384 3.911 30 20 CHED CC(C)c1ccc(/C=C2/CCc3[nH]c(=O)ccc3C2=O)cc1 133310525 CQFTZDDMKVVNMA-PTNGSMBKSA-N 293.366 3.711 30 20 CHED CC(C)[C@H](C)C(=O)Nc1ccc(C#N)c(Br)c1 380219298 VSHUPSFROZTELZ-VIFPVBQESA-N 295.180 3.551 30 20 CHED Cc1c(NC(=O)C[C@@H]2CC[C@H](C)C2)ccc(C#N)c1C#N 421557302 LFUADCQBKLKMCX-WCQYABFASA-N 281.359 3.503 30 20 CHED CC(C)[C@@H]1CCC[C@@H](/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)C1 328819593 POOVSAIQOYAYST-DGAVXFQQSA-N 280.412 3.913 30 20 CHED CCc1nc(/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)co1 329266413 CVMFCBDKLLEDPM-STQMWFEESA-N 276.380 3.758 30 20 CHED O/C(C/N=C(/O)[C@@H]1CC=CCC1)=N/C1CCCCC1 329431388 IMTLYXYBHYMFLZ-GFCCVEGCSA-N 264.369 3.588 30 20 CHED CCC1(C(=O)N2CCc3c(C#N)cccc32)CCCCC1 421659861 YQKZDOXIUKKGGD-UHFFFAOYSA-N 282.387 3.808 30 20 CHED N#Cc1csc(C(=O)NCc2csc3ccccc23)c1 84083891 BPRONVAEAKVFOS-UHFFFAOYSA-N 298.392 3.764 30 20 CHED CCc1cncc(C(O)=Nc2cnc3c(c2)CCCC3)c1 329913336 XGRNEOJHZUDNSY-UHFFFAOYSA-N 281.359 3.554 30 20 CHED Cc1cc(CN(CC#N)C2CCCC2)c2ccccc2n1 84222381 WQDQIZLOBFBWGK-UHFFFAOYSA-N 279.387 3.811 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1sccc1Cl 336255324 KTLISXRQRUOVJK-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCCC1CCC(/N=C(/O)C(=O)c2ccc(O)cc2)CC1 331242966 PSPXTFOZNVWHNO-UHFFFAOYSA-N 289.375 3.890 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)C(F)(F)F)CCCCC1 425692168 OOTPWTMBLCFDGG-JTQLQIEISA-N 278.318 3.515 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)CCc1c(F)cccc1F 338933790 LPEMHARQRSLUGJ-RYUDHWBXSA-N 266.335 3.568 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@H](C(C)C)CC1 424671756 WVIDSUPBRZEILJ-AWEZNQCLSA-N 251.414 3.873 30 20 CHED CCCC[C@@H](C)C(=O)Nc1ccnn1-c1ccc(C#N)cc1 337518076 WIZZOGOLZAMGEV-CYBMUJFWSA-N 296.374 3.509 30 20 CHED N#CCN(Cc1cccc(Oc2ccccc2)c1)C1CC1 511905308 FVRRPTUNGPLNEC-UHFFFAOYSA-N 278.355 3.967 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2occc2C(C)C)no1 426220989 VXTIOEDGSCKQKN-AWEZNQCLSA-N 259.309 3.644 30 20 CHED C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC1CCCC1)C(C)C 424935785 ZDOXHRLMCULLRP-ULQDDVLXSA-N 293.451 3.546 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2sccc2C#N)C1 179362142 AFBVRIUVMIYKGL-JTQLQIEISA-N 262.378 3.775 30 20 CHED CCCOC1(CNc2cc(C)nc(C#N)c2)CCCCC1 514870696 SWEFQFNFWFVEAS-UHFFFAOYSA-N 287.407 3.803 30 20 CHED C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(/C=C\C)cc1 424536572 VPEMZRJBRJJICM-VPIBYOGUSA-N 271.360 3.639 30 20 CHED C[C@@H]1C[C@@H](NCc2cc(C#N)cs2)c2ccccc2O1 336213843 PJCUFFLFCVKBFZ-IAQYHMDHSA-N 284.384 3.622 30 20 CHED CC[C@@H]1CCCCN1C(O)=Nc1cnn([C@H](C)CC)c1C 331133955 POUXDCGSBMWXSZ-TZMCWYRMSA-N 292.427 3.973 30 20 CHED CC1=C(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCC1 335091352 MGRGCRCDFSIOJX-ZDUSSCGKSA-N 268.360 3.578 30 20 CHED Cc1nc2ccc(N=C(O)[C@H]3CCCOCC3)cc2o1 330149203 VBESSKLJHQJKHP-NSHDSACASA-N 274.320 3.541 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccccc2)s1 92398932 NMGQZTVKDDZLRQ-UHFFFAOYSA-N 256.374 3.761 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 335094974 WENKHUCSUGVKEG-LBPRGKRZSA-N 283.371 3.696 30 20 CHED Cc1ccoc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 93872385 XVLVAWRTXBRDPG-IRXDYDNUSA-N 280.371 3.860 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1CCCC[C@H]1CC 330786771 NWMDDDWXEUEHKJ-DGCLKSJQSA-N 264.369 3.819 30 20 CHED C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccccc1C#N 339151243 BKGMCENGFVVCFJ-MPBGBICISA-N 287.359 3.707 30 20 CHED COC1(CCN2CC=C(c3ccc(C#N)cc3)CC2)CCC1 339059940 CPWHDKLCQAZYAO-UHFFFAOYSA-N 296.414 3.607 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(C#N)c1 525662772 MMGCHQFQMMISBF-CHWSQXEVSA-N 281.359 3.585 30 20 CHED CC(=O)Nc1ccc(C)c(NCc2ccc(CC#N)cc2)c1 342432385 IMRGTAGEONCCDZ-UHFFFAOYSA-N 293.370 3.632 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OC(C)C)nc1 343453945 UDUGYCGFRLFRBE-UHFFFAOYSA-N 274.364 3.576 30 20 CHED C[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)cc2OC(F)F)C1 437439254 ODTYWRRICGZADU-VXGBXAGGSA-N 294.345 3.638 30 20 CHED C[C@@H](CCO)C1(CNc2cc(Cl)ccc2C#N)CCC1 342818616 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OCLSMQXAYGKGJI-BBRMVZONSA-N 272.392 3.602 30 20 CHED C=CCNC(=O)c1ccc(N[C@H](C)CCC(C)(C)C)nc1 346414372 INXRIVRZSGXSRD-CYBMUJFWSA-N 289.423 3.624 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(CC(C)C)cc1 604352990 VDZJUWRRXDDYEG-CQSZACIVSA-N 272.392 3.507 30 20 CHED CCc1ccc(C2CCN(C(=O)[C@H](C#N)CC)CC2)cc1 600681876 KFMYKDXFTZYGQV-HNNXBMFYSA-N 284.403 3.505 30 20 CHED O=C(/C=C\c1ccn(-c2ccccc2)n1)c1ccccc1F 255081268 LMASTYUTYPRTCC-KHPPLWFESA-N 292.313 3.908 30 20 CHED CC1(C#N)CCC(NCc2cccc(F)c2F)CC1 601141157 BCQVQYOSQQHRPR-UHFFFAOYSA-N 264.319 3.527 30 20 CHED Cc1ccccc1CN(C[C@@H](C)CCC#N)C1CC1 602440132 JLPSGBUZFFVWOJ-AWEZNQCLSA-N 256.393 3.899 30 20 CHED CCCN(CCC#N)[C@H]1C[C@@H](OCC)C12CCCCC2 357772857 DIQLTXOBMPPDMD-JKSUJKDBSA-N 278.440 3.740 30 20 CHED CCN(C(=O)c1cc(-c2ccccc2)oc1C)[C@@H](C)C#N 600109175 HAPCVEVPLCGHGA-LBPRGKRZSA-N 282.343 3.629 30 20 CHED Cc1ccc(F)c(-c2noc(-c3ccc(C#N)cc3)n2)c1 445455296 OOGGSXATNLDMCB-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)C(CC)CC 535588701 YJOHQFZEWGKZGK-GFCCVEGCSA-N 288.391 3.968 30 20 CHED N#Cc1csc(CNC[C@@H]2CSc3ccccc32)c1 449365121 OYRJIPZLGZFTQT-GFCCVEGCSA-N 286.425 3.599 30 20 CHED CCCn1ccc2ccc(NC(=O)C3(C#N)CC(C)C3)cc21 532078106 FNGBWLQWIAYKAF-UHFFFAOYSA-N 295.386 3.930 30 20 CHED C=CCN(CC=C)C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 443816575 YYGNFKJXIBBIOI-PMPSAXMXSA-N 279.424 3.561 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C 539461125 QWOQEZDOZDXJLC-MELADBBJSA-N 252.402 3.609 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc(C(C)C)s1 352494831 GAQZEMUSVPFFBZ-UHFFFAOYSA-N 266.410 3.599 30 20 CHED C=C(C)COCCN[C@@H](CC1CC1)c1ccccc1 536847006 SIHXFXQKUJSMFV-KRWDZBQOSA-N 259.393 3.710 30 20 CHED COc1cccc([C@H]2C[C@H](NCc3cc(C#N)cs3)C2)c1 449620638 WJAJKXBEWJJOCE-SHTZXODSSA-N 298.411 3.664 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(C#N)c(C)c1 447299467 QZGZIGCNVIYVEK-UHFFFAOYSA-N 292.338 3.716 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](c1cccs1)C1CC1 612284252 KWZVSJPQHGWVNZ-CQSZACIVSA-N 278.421 3.807 30 20 CHED N#CC1(CN[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 538391706 QBPAZMAZQDQDLQ-MRXNPFEDSA-N 272.367 3.950 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2nccc3ccccc23)C1 617786058 TVGGPNXUGXRLLJ-CQSZACIVSA-N 280.371 3.663 30 20 CHED Cc1cc(C#N)ccc1CNC1(c2ccccc2)CC1 614407442 QUYAODZTJJXHMQ-UHFFFAOYSA-N 262.356 3.646 30 20 CHED C=CCCCC[C@H](C)NCc1noc2c1CCCC2 449329608 OUWYLFQZZQDOLJ-ZDUSSCGKSA-N 262.397 3.778 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1ccc(F)c(F)c1 532967338 MDCWWMSBMZMIKD-UHFFFAOYSA-N 296.361 3.582 30 20 CHED CCc1ncc(CNCc2ccc(C#N)c(Cl)c2)s1 619748969 ZQXHNJWXRIULRX-UHFFFAOYSA-N 291.807 3.520 30 20 CHED CCCCOc1ccc(CNCCCCC#N)cc1OC 264053144 NILFZUQVDBVGLS-UHFFFAOYSA-N 290.407 3.658 30 20 CHED Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 611465973 BFONXAQEUNLICM-CHWSQXEVSA-N 283.350 3.813 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 267457015 KDSGMZNZISWYDF-UHFFFAOYSA-N 299.296 3.781 30 20 CHED CC[C@@H](C)n1[nH]c(=N[C@H](C)c2ccc(C#N)cc2)cc1C 538418126 AFGNFPHZYHWTGE-TZMCWYRMSA-N 282.391 3.629 30 20 CHED C=CCCCCNC(=O)N[C@H](CC(F)(F)F)C(C)C 446643788 WQTNLGKURMAXCS-LLVKDONJSA-N 280.334 3.619 30 20 CHED C[C@H]1CCC[C@H](c2noc(COc3ccccc3C#N)n2)C1 356221104 QAOWHRJZHBBMHX-STQMWFEESA-N 297.358 3.814 30 20 CHED Cc1ccc(OCCCN(CCC#N)CC2CC2)cc1C 357928386 SCECWQLIGLFIFO-UHFFFAOYSA-N 286.419 3.698 30 20 CHED CC[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1OC(F)F 537855027 RIELNDASIAXVNS-RISCZKNCSA-N 294.345 3.923 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](SCC)C(C)C 610051432 RQVHDQHGEZDLLH-CQSZACIVSA-N 271.470 3.969 30 20 CHED C=CCN(C(=O)NCc1ccc2ccccc2c1)C1CC1 536796706 KJTLDGWHROQEFT-UHFFFAOYSA-N 280.371 3.700 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCC[C@H]1CCCC)OCC 533717563 UWWSTFWMGSCXAV-OAGGEKHMSA-N 281.440 3.833 30 20 CHED CC(C)CC(C)(C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618788223 UPKPUCVMBVRPQD-INIZCTEOSA-N 284.403 3.734 30 20 CHED N#CCCCC(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 360161159 GAIYYXGYKCPCTE-UHFFFAOYSA-N 299.305 3.645 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 616435250 RHVHKJLIYXIGEE-GOSISDBHSA-N 282.387 3.720 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 452720717 DXWZVCBPJFSSTD-ZOBORPQBSA-N 273.376 3.589 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1nc(C)ccc1C#N)CC2 611227504 XAYPPEBOTZBFPL-INIZCTEOSA-N 263.344 3.670 30 20 CHED C[C@H]1CN(c2ccc(Cl)c(C#N)n2)[C@H]1c1ccccc1 267191012 HGNIONJEAYEWNZ-MEDUHNTESA-N 283.762 3.804 30 20 CHED Cc1cccc(C(C)(C)NCCOc2ccccc2C#N)c1 539316312 QMVXRJITFZDYGR-UHFFFAOYSA-N 294.398 3.770 30 20 CHED CC#CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 532712399 KYGCPOZNMWSTLW-QGZVFWFLSA-N 252.361 3.718 30 20 CHED C[C@H](NCc1cc2ccccc2[nH]1)c1ccc(C#N)cc1 610341820 XKPSQXYLUKRJSI-ZDUSSCGKSA-N 275.355 3.890 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(C(C)C)c(O)cc1C 456121843 YNJDSSMKIWPKLY-UHFFFAOYSA-N 275.392 3.766 30 20 CHED N#Cc1cnc2c(F)ccc(F)c2c1N1CCCC2(CC2)C1 613705063 GWWKHTIETIATPZ-UHFFFAOYSA-N 299.324 3.765 30 20 CHED N#CCc1ccc(NC(=O)c2[nH]ccc2C2CC2)c(Cl)c1 457817414 NNSVTOFIUHRECP-UHFFFAOYSA-N 299.761 3.864 30 20 CHED C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccc(C#N)c(F)c1 611475757 GKIOQHUHLYJTMK-SKDRFNHKSA-N 268.282 3.536 30 20 CHED C=CCC1(CNC(=O)C[C@@H]2CCO[C@H](CC)C2)CCCC1 456483611 HMVQPPVTFGBBHN-HZPDHXFCSA-N 293.451 3.834 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc3oc(C)nc23)C1 617779887 KFUFDDRGEFWFEA-ZDUSSCGKSA-N 284.359 3.565 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CC[C@H](C)CC2)c1 543435025 ASQURVSZTUNPKW-FUKZOUPISA-N 256.349 3.751 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)C2CCOCC2)C1 365238668 VMSUXCRGASRBQE-ATZDWAIDSA-N 298.430 3.826 30 20 CHED CCN(C[C@H](C)C#N)[C@H]1CCc2ccc(Cl)cc21 541271163 JZVHAMPQJPXXSP-ABAIWWIYSA-N 262.784 3.809 30 20 CHED Cc1ccc2c(c1)CCN(Cc1ccc(F)c(C#N)c1)C2 361850427 JSZAAZQCJKJTEZ-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(C2CCC2)cc1 457999031 YMZXLDNIFJUBBN-UHFFFAOYSA-N 270.376 3.624 30 20 CHED CC[C@@H](NCCSCc1ccccc1C#N)C(C)C 540172705 SPRVZQTVUHPTSX-MRXNPFEDSA-N 276.449 3.816 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(C)c(Cl)c1 627327250 RSDVODPAXMNXJJ-ZDUSSCGKSA-N 294.826 3.873 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC(CC#N)CC1 542854063 NPINNVAARZEYGT-UKRRQHHQSA-N 291.439 3.536 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 459665238 KFAQZGWWFCNTAH-ICUOPCATSA-N 278.758 3.617 30 20 CHED CCC[C@H](NC(=O)NCC(C)(C)CCC#N)C1CCC1 458766553 MZMMDCAXCINKJU-AWEZNQCLSA-N 279.428 3.584 30 20 CHED N#Cc1cccc(CN(CC2CCC2)CC2CC2)c1F 361564125 MDOQKTROFRGPIW-UHFFFAOYSA-N 272.367 3.709 30 20 CHED C#CC[C@H](NCc1nc(C)c(C)s1)c1ccccc1 271645971 ABQBMHSVJKXSDH-HNNXBMFYSA-N 270.401 3.614 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 450046142 RGOCUIREMKMPOR-WDEREUQCSA-N 277.330 3.684 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCO[C@@H](CC(C)C)C1 540779231 MWDARBLJPAMIJE-XHSDSOJGSA-N 253.430 3.915 30 20 CHED CCN(CCOc1ccccc1C)Cc1ccccc1C#N 548939075 XDTAGWCWZUOJKM-UHFFFAOYSA-N 294.398 3.768 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C(C)(C)C)C1 544183977 RZQVMUIJMWUGRK-XJKSGUPXSA-N 256.393 3.987 30 20 CHED C=C(C)Cn1c(N2CC[C@H]3CCC[C@H]32)nnc1C(C)(C)C 460560214 UFGPGIKMKQQIAP-ZIAGYGMSSA-N 288.439 3.531 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1ccc(OCC)cc1 466377683 GNODVMKBAMIAQT-HNNXBMFYSA-N 290.407 3.581 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(SC)cc1OC 278381509 LQDMHRHXLGSJOB-HNNXBMFYSA-N 279.405 3.958 30 20 CHED CC(C)[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)cn1 467440508 UOXGZZMZQJRGQR-GOSISDBHSA-N 297.377 3.622 30 20 CHED CC#CCCSCCOc1ccccc1Cl 462369810 OHDAVUISIRPRRQ-UHFFFAOYSA-N 254.782 3.865 30 20 CHED C=CC(C)(C)C(=O)N1CCCc2cc(OC(F)F)ccc21 460042356 DXEJFUFETSXSBJ-UHFFFAOYSA-N 295.329 3.779 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(C)(C)[C@@H]1C1CC1 460662648 OWHJSTQJBVQJQN-JSGCOSHPSA-N 264.413 3.561 30 20 CHED Cc1cc(C)cc(NC(=O)NCC2CCC(C#N)CC2)c1 282722671 NWSRJTPJMDCLCZ-UHFFFAOYSA-N 285.391 3.755 30 20 CHED C=C(C)CCc1noc([C@H](C)Sc2ccccn2)n1 285186632 RJLSPDKELGORSB-NSHDSACASA-N 275.377 3.827 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1cccc(C#N)c1F 469775176 KESMTBJBQQEINR-GJZGRUSLSA-N 292.423 3.851 30 20 CHED C=CC[C@@H](CC)NCc1nc2ccc(Cl)cc2n1C 466403136 DSJBTRPSDWVCNG-GFCCVEGCSA-N 277.799 3.671 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F 629273373 XVQNMKHVWUTLHO-BJJXKVORSA-N 279.330 3.539 30 20 CHED C=CCCCCN[C@H](C)c1cc(C(=O)OC)cs1 552282662 IHSNUTNLJWRKCD-LLVKDONJSA-N 267.394 3.542 30 20 CHED C#CCN(C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 282572286 WHLWJVBWWFDNIW-ZDUSSCGKSA-N 290.432 3.983 30 20 CHED C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@H]1c1ccccc1 559105867 IRHVUKPYDCDGOV-CYGHRXIMSA-N 268.404 3.804 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1nc2ccccc2s1 467863707 OLIFLLNMVQZHTH-OAHLLOKOSA-N 274.389 3.861 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1cc(C)ccc1C 466534771 SRRKGGQBYPJDLJ-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C=CCCCCN[C@@H](C)c1cc(C(=O)OC)cs1 552282663 IHSNUTNLJWRKCD-NSHDSACASA-N 267.394 3.542 30 20 CHED C=C(CC)CN1CCO[C@@H](c2cccc(Cl)c2)C1 467192974 YOFQATBVVHRVCR-OAHLLOKOSA-N 265.784 3.680 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1c1nccc(C#N)c1Cl 557605300 JNKDSVAOYTWRCD-DOMZBBRYSA-N 297.789 3.989 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 285249093 RQQLHVFQSJFEAH-OAHLLOKOSA-N 299.761 3.517 30 20 CHED CC[C@](C)(C#N)c1nc(C(C)(C)c2cccc(F)c2)no1 289061593 LQKSPCPSQJQLMS-MRXNPFEDSA-N 287.338 3.726 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1ccccc1C#N 469979882 BHGHQYKRODXNCL-ZDUSSCGKSA-N 270.298 3.625 30 20 CHED Cc1ccccc1C[C@H](C)NCCc1cccc(C#N)c1 466422448 UBGSEAQLNXWSCD-INIZCTEOSA-N 278.399 3.630 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C(=O)OC)c1ccccc1C 467002725 BWUHVXOVLSZJJF-GDBMZVCRSA-N 275.392 3.544 30 20 CHED C=C(C)CCc1noc(COC2CCC(C)CC2)n1 289245834 PIKLWTJOBAYKOM-UHFFFAOYSA-N 264.369 3.674 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)CC1 477447269 UNQVGJWNZHGPTB-HZPDHXFCSA-N 278.440 3.809 30 20 CHED C[C@@H]1CN(CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 471049563 ZWWCJVMQAIPCAP-BEFAXECRSA-N 292.382 3.630 30 20 CHED C=C(CC)C(=O)N(Cc1ccccc1)CC1CCC1 1350952857 BZJDXFQUPJGLMX-UHFFFAOYSA-N 257.377 3.782 30 20 CHED C=CCOCCCN(C)[C@H](C)c1ccc(C)cc1C 470716681 NUAFEDGITGXJDX-MRXNPFEDSA-N 261.409 3.889 30 20 CHED C=CC[C@H]1N(C(=O)c2[nH]c(C)cc2C)CCCC1(C)C 470267432 QAFUVFKUEVFDSM-CQSZACIVSA-N 274.408 3.838 30 20 CHED C=CCc1ccc(OC(=O)c2ncoc2C2CC2)c(OC)c1 294722633 XEIJJMDKBPHUND-UHFFFAOYSA-N 299.326 3.508 30 20 CHED Cc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)s1 806579698 OCAHCNFFDAKVJB-RMKNXTFCSA-N 275.760 3.927 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCC23CCC3)c1 800481761 ZZZRQIJXHXIFHU-DOTOQJQBSA-N 284.403 3.790 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc2ccsc12 806366156 LODHWBHYRDDBDK-LBPRGKRZSA-N 272.373 3.825 30 20 CHED C=CCCCCNC(=O)c1ccc(C)c(Cl)c1 471679662 OVLGJWVXHDIYKK-UHFFFAOYSA-N 251.757 3.735 30 20 CHED C=CCCCCNC(=O)CCOc1ccc(C)cc1C 471685229 OAIYLBZNDAEPQQ-UHFFFAOYSA-N 275.392 3.545 30 20 CHED C=CCOc1cccc(NC(=O)NCCC=C(C)C)c1 479843814 JHHQMKJWMHHDPM-UHFFFAOYSA-N 274.364 3.729 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCC(C)=C(C)C1 648411466 FAYGZNSIRXHMGF-HNNXBMFYSA-N 296.370 3.836 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@H]1CSc3ccccc31)CC2 563296368 TZVCZTULLPOEHE-IRXDYDNUSA-N 292.407 3.982 30 20 CHED C=CCC1(C(=O)NC[C@H]2OCCc3ccccc32)CCCC1 648927542 OZNAOCGNYRANND-QGZVFWFLSA-N 299.414 3.553 30 20 CHED C[C@@H](C(=O)N1CCCc2cc(C#N)ccc21)c1cccs1 297903266 WUDHHULHUISWDQ-GFCCVEGCSA-N 296.395 3.703 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3ccc(F)cc32)CCC1 567208711 WCCZWXMQEDLMQF-HNNXBMFYSA-N 273.351 3.676 30 20 CHED CSCC(C)(C)C(=O)OCC#Cc1cccc(Cl)c1 800314818 XKZJHIXXABQJNS-UHFFFAOYSA-N 296.819 3.624 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc2ccccc2n1C1CC1 644870176 RGZRUJNLAVGZOI-UHFFFAOYSA-N 283.375 3.912 30 20 CHED C=C(Cl)CN(CCC)[C@@H](C)CC(=O)Nc1ccccc1 800466901 JLTRFQBKJRCXLP-AWEZNQCLSA-N 294.826 3.868 30 20 CHED CSC1(CNCC#Cc2ccc(C(F)(F)F)cc2)CC1 290431754 RQSQCINXGBMPDG-UHFFFAOYSA-N 299.361 3.542 30 20 CHED Cc1cc(OC(=O)CCC2CC2)c(C)c(C)c1C#N 809033809 HMBVJOCQCVHGRS-UHFFFAOYSA-N 257.333 3.579 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1C[C@]1(C)C(C)C 477016555 CVNQUYBTSHXEAQ-GOEBONIOSA-N 251.414 3.873 30 20 CHED CCCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1NC1CC1 560707967 VJGVKQRMIHUYPH-GFCCVEGCSA-N 285.391 3.897 30 20 CHED C=C(C)Cn1c(N2CC[C@@](C)(CC)C2)nnc1C(C)(C)C 566683476 JZBZSSMLZMKUNX-QGZVFWFLSA-N 290.455 3.778 30 20 CHED O=C(O)c1ccc2c(c1)CCCC2=NNc1ccccc1 814684365 PONQJNPCQUJIAE-UHFFFAOYSA-N 280.327 3.537 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@H]2CC[C@H](C)C2)cc1 560708979 UPSQLGDDUZDNHT-HOCLYGCPSA-N 287.403 3.694 30 20 CHED C#CCCCN[C@@H](Cc1ccccc1Cl)C1CC1 815584803 PNICAPRFTQKVFX-INIZCTEOSA-N 261.796 3.664 30 20 CHED COCC(=NNc1ccc(F)cc1)c1ccc(Cl)cc1 814693515 UZWVXUXXBGEWJD-UHFFFAOYSA-N 292.741 3.942 30 20 CHED Cc1csc(NC(=O)N[C@H]2CCC[C@@H](C)C2)c1C#N 562478767 OLLUNVGHBBIBND-KOLCDFICSA-N 277.393 3.628 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@@H]2CCC[C@@H](C)C2)cn1 818803385 USDCUPGUNUMZTG-CRAIPNDOSA-N 298.430 3.884 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCOc1cccc(C)c1 488857856 ODXJNWUUIYHMND-INIZCTEOSA-N 287.403 3.721 30 20 CHED CC[C@@H]1CCC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 578373854 TYAFONTVSIFMTE-XYPHTWIQSA-N 254.377 3.714 30 20 CHED C#CCCCNc1ccc2ccc(Br)cc2n1 811809380 QIMVLIQBHIPMNT-UHFFFAOYSA-N 289.176 3.823 30 20 CHED C=CCC1(C(=O)NCCc2nc3ccccc3o2)CCCC1 578292596 DYHNQZIHBRWWTF-UHFFFAOYSA-N 298.386 3.623 30 20 CHED C=C[C@H]1CCCCN1Cc1nnc(Cc2ccccc2C)o1 489462865 LGIUFSIITJMXFE-INIZCTEOSA-N 297.402 3.509 30 20 CHED C#CCCCCNC(=O)Nc1ccc(-c2ccccn2)cc1 810335434 OCTQVVBHFSMRMD-UHFFFAOYSA-N 293.370 3.674 30 20 CHED C[C@@H](NN=C1CCC[C@@H](c2cccnc2)C1)c1ccncc1 819818672 OXJZRJYSUYDUSI-GDBMZVCRSA-N 294.402 3.841 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2ccc3[nH]ccc3c2)ccc1F 811647540 QOEFVHLKPVXOMB-UHFFFAOYSA-N 298.277 3.661 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](C)CCC(C)(C)C 810422217 HEHVCVPPAKRWGF-CQSZACIVSA-N 271.404 3.541 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC 485568223 KBKUXPHTOMZONE-LBPRGKRZSA-N 294.782 3.921 30 20 CHED C=CCCCCOC(=O)C[C@H](CC#N)c1ccccc1 811008087 ACEUUDINGJMQTL-INIZCTEOSA-N 271.360 3.973 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1c1ccccc1Cl 483420648 LDBPVQTZFBHBKN-OAHLLOKOSA-N 290.794 3.600 30 20 CHED CC1=CC(=NNC(=S)Nc2ccccc2C)CCC1 727254670 UQKXLNAMTMXHHU-UHFFFAOYSA-N 273.405 3.768 30 20 CHED C=C(CC)Cn1cc(-c2cc(OC)ccc2Cl)nn1 656453731 UBPBZDBHOVKXHF-UHFFFAOYSA-N 277.755 3.573 30 20 CHED C#Cc1cccc(NC(=O)/C=C/Sc2ccccc2)c1 819404924 PEJCXGXBABFUBP-VAWYXSNFSA-N 279.364 3.912 30 20 CHED C#Cc1ccccc1CC(=O)O[C@@H](C)c1ccccc1 810551290 RUNIRDSCIUDPBT-AWEZNQCLSA-N 264.324 3.515 30 20 CHED C[C@H](C#N)Oc1ccc(CNCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 728711476 ARKVIVVDFMIVFE-LAVFITLUSA-N 298.430 3.893 30 20 CHED C=CCCC(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 726655393 PEIZHVYGQCMCIZ-QLFDAEIZSA-N 290.403 3.670 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 488884223 TWHUXWYMBILJIJ-YUELXQCFSA-N 291.341 3.635 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(C)cc(C)c1 488573970 BXODKKBQINUVER-UHFFFAOYSA-N 254.333 3.543 30 20 CHED CC(C)(C(=O)OCCCCC#N)c1ccccc1Cl 729009388 FOWSFLOQKCRYHQ-UHFFFAOYSA-N 279.767 3.855 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)N2CCC(CCC#N)CC2)C1 573115085 IHLKTAMEWLYGTJ-HOCLYGCPSA-N 291.439 3.538 30 20 CHED Cc1cc(F)ccc1Cc1noc(-c2cc(C#N)cs2)n1 575079468 RUXJWSDERCLBSE-UHFFFAOYSA-N 299.330 3.708 30 20 CHED CCc1ccc(CN(C)c2nc(C)cc(C)c2C#N)cc1 497728829 ZBOXLSMGJDODTC-UHFFFAOYSA-N 279.387 3.769 30 20 CHED COC(=O)c1ccc2ccccc2c1OCC1(C#N)CCC1 571747065 LNHMASREYBSUFT-UHFFFAOYSA-N 295.338 3.699 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCCCC[C@@H]1c1ccco1 820641388 UKZVXZQZXAVSBI-LSDHHAIUSA-N 288.391 3.708 30 20 CHED N#CCN(Cc1cc2oc3ccccc3c2cc1O)C1CC1 726961468 MVKZXRJEOBJARQ-UHFFFAOYSA-N 292.338 3.780 30 20 CHED C=C(C)CCN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 495746639 NFXUQNRMECPWKO-AWEZNQCLSA-N 296.455 3.578 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)cncc1C 667878790 OKMBVWSWVFRNQL-KRWDZBQOSA-N 294.398 3.616 30 20 CHED C=C(CN[C@H]1CCc2ccccc2OC1)c1ccccc1 493811068 BHMOVJARRBOKMN-SFHVURJKSA-N 279.383 3.683 30 20 CHED COc1ccc(N[C@H](C#N)Cc2ccccc2)c(C)c1 727172367 AXXBSGZCJVZPTL-HNNXBMFYSA-N 266.344 3.550 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1ccccc1Cl 728613811 WAVBPAZCKBNDFN-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(-c2cccnc2)ccc1C 491660612 YVNBLQTZEBTNLA-AWEZNQCLSA-N 293.370 3.542 30 20 CHED C=CCCOc1ccccc1-c1nc(CC)ns1 665192375 LMEQBVAZJQPIPF-UHFFFAOYSA-N 260.362 3.722 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc3ccn(C)c3c2)C1 666178677 QGKQGRJDQKYBMQ-AWEZNQCLSA-N 297.402 3.998 30 20 CHED CCc1ccc(NC(=O)CON=Cc2ccc(C)cc2)cc1 824676905 WBSATTHQRSSUAO-UHFFFAOYSA-N 296.370 3.547 30 20 CHED Cc1cccc2c(=O)n(CCCCC3(C#N)CCC3)cnc12 901492867 FHQGNJGAOXXVCP-UHFFFAOYSA-N 295.386 3.569 30 20 CHED CC(C)c1nn(C)cc1NCc1ccccc1C(C)(C)C#N 902206340 NZKGMIMSXJTSQE-UHFFFAOYSA-N 296.418 3.957 30 20 CHED C=CCC[C@@H](C)N[C@@H](CCC(=O)O)c1ccccc1 901646842 AKRCXJXEFSJHBD-HIFRSBDPSA-N 261.365 3.537 30 20 CHED C=C1CCC(C(=O)NCCCCCCSC(C)=O)CC1 907462687 WRFPIAKIRRCURF-UHFFFAOYSA-N 297.464 3.689 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCc2ccccc2[C@@H]1C 583232545 WPRHNLRYRMWHRV-AWEZNQCLSA-N 296.418 3.711 30 20 CHED Cc1ccsc1C(=O)/C=C1/COc2ccc(F)cc21 733748626 FDSQOGAOVQIVJC-POHAHGRESA-N 274.316 3.854 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2coc(-c3ccccc3)n2)C1 839054799 OOHSVEYHQDFQIM-JSGCOSHPSA-N 296.326 3.581 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@]1(C)CC=CCC1 835240703 FCTXHFYELYWULP-KRWDZBQOSA-N 269.344 3.656 30 20 CHED FC(F)(F)Sc1ccc(C=NNc2cccnn2)cc1 735976106 BWKJOHCRLWKDEG-UHFFFAOYSA-N 298.293 3.535 30 20 CHED CCC[C@H](OC(=O)c1ccc(C#N)n1C)c1ccccc1 835114858 BPBRSUXMCWEKNW-INIZCTEOSA-N 282.343 3.595 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1scnc1C(C)C 835337735 QACPAVAQLOVYAL-HNNXBMFYSA-N 297.420 3.652 30 20 CHED CC(C)(C=NOC/C=C/Cl)Oc1ccccc1 834978401 FQOVHJBQESIZIU-LSRQXAJVSA-N 253.729 3.599 30 20 CHED C=CCC[C@@H](NC[C@@H](OC)C(C)(C)C)c1ccco1 671749545 HDERZHCWWWIJJK-UKRRQHHQSA-N 265.397 3.938 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1cccc(SC)n1 830981542 XIAAMMLSJMPAGS-LLVKDONJSA-N 265.378 3.705 30 20 CHED N#CC1(CCCCOC(=O)c2ccoc2Cl)CCC1 909238497 BZLNNIGDELCFDB-UHFFFAOYSA-N 281.739 3.954 30 20 CHED C=C(Cl)CNC(=S)Nc1cccc(Cl)c1C 735982059 OMOYELPEAJQIPM-UHFFFAOYSA-N 275.204 3.687 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2ccc(Cl)s2)cc1 833310942 ZYBYAPIHUUTJEA-ALCCZGGFSA-N 292.743 3.996 30 20 CHED C#CCCCCC(=O)OCc1ccc(Cl)c(OC)c1 835765546 NKDHANICQHWMHK-UHFFFAOYSA-N 280.751 3.585 30 20 CHED C#CC[C@@H](NCc1cc(C(=O)O)sc1C)c1ccccc1 833360663 NLHRLMFWFAUPRQ-OAHLLOKOSA-N 299.395 3.609 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CCC[C@@H]1Cc1ccccc1 835017996 SYKBCFOHLWNKGL-WBVHZDCISA-N 286.419 3.542 30 20 CHED CC(CCCc1cccnc1)=NOCc1ccccc1 834939271 WVUYKYPHFRYHHT-UHFFFAOYSA-N 268.360 3.997 30 20 CHED Cc1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)cc1F 731490481 XPRIKQXCLGDWKX-PLNGDYQASA-N 290.315 3.790 30 20 CHED C=CCC1(C(=O)OCC[C@H]2CCCC2=O)CCCCC1 838153705 KMXIATNXJYVGPG-CQSZACIVSA-N 278.392 3.816 30 20 CHED CCC(CC)(CC)C(=O)O[C@H]1CCC[C@H](C#N)C1 839059292 ZYIXHRCEQMKMRR-STQMWFEESA-N 251.370 3.828 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)o1 599023621 VVDQURKONYNXAS-MRXNPFEDSA-N 286.762 3.972 30 20 CHED CCc1nnc(S[C@@H](C)c2cccc(C#N)c2)s1 594916021 MTDAXPGUTZJDER-VIFPVBQESA-N 275.402 3.825 30 20 CHED N#Cc1cc(F)ccc1COC(=O)[C@@H]1CCCCC1(F)F 837823631 LQWCLKADNCYZBC-ZDUSSCGKSA-N 297.276 3.566 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cn2)CCc2ccc(Cl)cc21 593493508 URLHIHIUCOLOTN-GFCCVEGCSA-N 297.789 3.773 30 20 CHED C[C@H]1CC(OC(=O)/C=C\c2ccccc2C#N)C[C@H](C)C1 744214813 MWLQOPZIGZRJGB-JUBSNLHESA-N 283.371 3.939 30 20 CHED CN(CCC1(C#N)CCCCC1)Cc1ccccc1O 839516684 LZQHHXIFSYXCOL-UHFFFAOYSA-N 272.392 3.688 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H](C)c1ccc(C)cc1 599540331 YYGYZSBDVXQXFU-CQSZACIVSA-N 272.392 3.545 30 20 CHED N#CCC1CCN(CC[C@@H]2CCc3ccccc32)CC1 595427612 YAAAXSQXHXPQIU-KRWDZBQOSA-N 268.404 3.732 30 20 CHED C[C@H](OC(=O)c1cccnc1Cl)c1cccc(C#N)c1 744102721 YDXPKTHGMLKNBO-JTQLQIEISA-N 286.718 3.525 30 20 CHED N#CCOc1cccc(OCCCc2ccsc2)c1 842109843 DGOUDZRELBXDFB-UHFFFAOYSA-N 273.357 3.662 30 20 CHED C=CCOCCCC(=O)OCc1ccc(F)cc1Cl 745530608 QMWHSVHLEJLXCU-UHFFFAOYSA-N 286.730 3.505 30 20 CHED CCN(CCc1cccc(Cl)c1Cl)[C@@H](C)C#N 595820635 ODGMZXWFXSEPGV-JTQLQIEISA-N 271.191 3.770 30 20 CHED CCN(CCO)N=C(C)c1ccc(C2CCCCC2)cc1 842536119 QOKJDGFPZNMNIH-UHFFFAOYSA-N 288.435 3.773 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2Cc3ccccc32)n1 747193672 MCDCWBGRNUEIDG-ZIAGYGMSSA-N 296.395 3.783 30 20 CHED CCCN(Cc1ccc(F)cc1)C(=O)C(C#N)(CC)CC 599028100 TYUBCALBEDVZDX-UHFFFAOYSA-N 290.382 3.894 30 20 CHED C=C[C@@H](C)ON=C[C@@H](C)Cc1ccc(OC)c(F)c1 844622110 USKMXQLJPOBFPT-NWDGAFQWSA-N 265.328 3.590 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(CC(=O)O)cc2)[C@@H]1C 848413943 FOVIZSKNYIUFNJ-VXGBXAGGSA-N 274.364 3.538 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)C[C@@H]1CC1(C)C 597253708 MBPQBMPIYHWRBS-INIZCTEOSA-N 286.419 3.847 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593957870 CYMFIPIFLVXTPK-FSZRXZPDSA-N 298.430 3.678 30 20 CHED CN(CCc1ccc(C#N)cc1)Cc1ccc(Cl)s1 595290244 XMTOUZXVXIWGQO-UHFFFAOYSA-N 290.819 3.948 30 20 CHED C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 846964733 RFEWWXMICADPAC-TWMKSMIVSA-N 293.451 3.521 30 20 CHED CC(C)[C@H]1N(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1(C)C 594365207 YIQPZFZRQATQJH-RHSMWYFYSA-N 298.430 3.630 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 593698218 IPSFTLCQTWLYCK-CRAIPNDOSA-N 284.403 3.507 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1ccc(C)cc1O 840787756 PIGPGMUJRZUXKF-AWEZNQCLSA-N 260.381 3.681 30 20 CHED C=CCOc1ccc(OC(=O)[C@H]2CC23CCCC3)cc1 747311550 VNMYHJDLVTYDAS-OAHLLOKOSA-N 272.344 3.737 30 20 CHED CC#CCOC(=O)c1ccc(C2SCCCS2)cc1 744516200 GNFLWKNCVKQZII-UHFFFAOYSA-N 292.425 3.735 30 20 CHED C[C@@H]1CC(=NNc2ncccc2Cl)C[C@H](C)C1 747753730 VJYHWGIQZLVDST-AOOOYVTPSA-N 251.761 3.959 30 20 CHED O=C1/C(=C/c2cccc(F)c2)Oc2ccc(F)cc21 749747076 UHOLBAPDVWUJDK-AUWJEWJLSA-N 258.223 3.581 30 20 CHED C#CCCCNC(=O)[C@H](CC1CCCCC1)C(C)C 742788313 QFVPPKXAJDDXJO-MRXNPFEDSA-N 263.425 3.759 30 20 CHED FC(F)(F)COCCCON=Cc1ccc(Cl)cc1 740872536 FXJUYTVCCCQDQT-UHFFFAOYSA-N 295.688 3.660 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2Cc3ccc(F)cc32)c1 684406562 FCSCJSBKTIEYIB-QGZVFWFLSA-N 297.329 3.669 30 20 CHED C=C(C)CN1CCC(Cc2cccc(OC)c2)CC1 680078453 LPMDAEMLHNYITA-UHFFFAOYSA-N 259.393 3.526 30 20 CHED C[C@H]1CC/C(=C/C(=O)N(CCC#N)c2ccc(F)cc2)C1 753611991 ZWEHEIWXUCTLRW-BSHRGCEOSA-N 286.350 3.819 30 20 CHED C=C(C)CNC(=S)N(CC)c1cccc(C)c1C 920076960 CUIVIMYFJDHFDB-UHFFFAOYSA-N 262.422 3.580 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)Cc2ccccc2F)c1 920173564 TYTJNCSKMSCDIA-ZDFPAGSVSA-N 287.334 3.590 30 20 CHED C=CCC1(C(=O)OCc2cc(COC)cs2)CCC1 857043721 DSLGAZRMYAEAKP-UHFFFAOYSA-N 280.389 3.684 30 20 CHED CCCCCCCCNC(=O)C1CCSCC1 754853943 KUVGZMXZOKNOFR-UHFFFAOYSA-N 257.443 3.606 30 20 CHED CCCCCCCCN[C@H]1Cc2cccc(O)c2C1 759690150 FJSKIRUWTPELEC-HNNXBMFYSA-N 261.409 3.810 30 20 CHED C=C(C)CS(=O)(=O)N(CCCC)[C@H](C)c1ccc(C)o1 684760921 CWPVQOQMBUYWGZ-CQSZACIVSA-N 299.436 3.657 30 20 CHED Cc1cc(F)ccc1NN=CC1CCSCC1 853325069 QLDUHRZOEISBLA-UHFFFAOYSA-N 252.358 3.675 30 20 CHED Cc1nc(Cl)ccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851204332 ORUHHVCJYHULRE-VIFPVBQESA-N 280.755 3.529 30 20 CHED COc1ccc(-c2cc(F)ncc2C)cc1C1(C#N)CC1 854188689 IRJZGEZWFIXZDF-UHFFFAOYSA-N 282.318 3.760 30 20 CHED C=CCC(C)(C)c1noc(-c2cn3cc(C)ccc3n2)n1 858775765 IUVCFMHJMLIBRP-UHFFFAOYSA-N 282.347 3.546 30 20 CHED C[C@@H](NCCCC#N)c1ncc(C(F)(F)F)cc1Cl 926133938 VPTVAAPUQCZFQG-MRVPVSSYSA-N 291.704 3.708 30 20 CHED N#Cc1ccccc1N(Cc1ccco1)C(=O)C=C1CCC1 755189065 QQPVCISROLGDAX-UHFFFAOYSA-N 292.338 3.795 30 20 CHED C=CCCCCCCCOC(=O)c1ncccc1F 851017489 SISIPOODNJPYHU-UHFFFAOYSA-N 265.328 3.904 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F 754357312 IEYNCXWIFMNTDO-HNNXBMFYSA-N 299.320 3.773 30 20 CHED Clc1cccc(CNN=CC2CCSCC2)c1 853316958 JSLZMZKSFMMDIU-UHFFFAOYSA-N 268.813 3.559 30 20 CHED CC(=NNc1cc(F)cc(Cl)c1)C1CCOCC1 853396303 DYGIWOFBHRCFOT-UHFFFAOYSA-N 270.735 3.694 30 20 CHED C=CCC1(NC(=O)C[C@@H](O)CC[C@H](C)CC)CCCC1 855928101 GOLXVXOSZOWUDP-CABCVRRESA-N 281.440 3.569 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)C1CCCC1 851210275 SZYOSRPRTCWKAU-RYUDHWBXSA-N 251.370 3.684 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@@H](CC=C)C1)c1ccccc1 852228644 ZJZXOWQLINHYCT-SJLPKXTDSA-N 296.414 3.749 30 20 CHED Cc1cc(C#N)cc(C)c1OCCC1SCCS1 853675454 VJZYOJKPDPWUNJ-UHFFFAOYSA-N 279.430 3.750 30 20 CHED Cc1ccc(Cl)c(OC(=O)c2ccc(CC#N)cc2)c1 758146620 XTLCCHWAXYFHFK-UHFFFAOYSA-N 285.730 3.934 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1cccc(C(C)C)c1 853005714 UWOSSBSQJOREJF-HJWRWDBZSA-N 268.360 3.748 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)c1ccccc1C)c1ccncc1 932887517 UWRXMHWPCOFJHT-CRAIPNDOSA-N 294.398 3.927 30 20 CHED CC(=NNc1ccnc(Br)c1)c1occc1C 769802870 SVSQGJMOWZSOIA-UHFFFAOYSA-N 294.152 3.582 30 20 CHED CC1(C)CCCC1=NNc1ncnc2ccsc12 764840316 GDMCBBWDXAAPIM-UHFFFAOYSA-N 260.366 3.669 30 20 CHED CCC(CCc1ccccc1)=NNc1ncncc1Cl 863107863 BTGXZIHLRWVGBK-UHFFFAOYSA-N 288.782 3.941 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)ccc1C#N 766483219 DXFQPRFHRJXJQK-VURMDHGXSA-N 292.294 3.671 30 20 CHED CC(=NOCC(F)(F)F)c1[nH]c(-c2ccccc2)nc1C 764845835 ZWDARSSPMGZRMW-UHFFFAOYSA-N 297.280 3.688 30 20 CHED CCO[C@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)C(C)C 760591086 ZUTQBFYTCXQZBR-XJKSGUPXSA-N 289.375 3.614 30 20 CHED CC1(c2ccccc2)CCC(=NNc2ncc(F)cn2)CC1 766715124 MACXYMOPGAWSRG-UHFFFAOYSA-N 298.365 3.916 30 20 CHED C#CCOc1ccccc1-c1noc(C2=C(C)CCC2)n1 761995402 AUGPVSZGHFQTBI-UHFFFAOYSA-N 280.327 3.706 30 20 CHED CC[C@H](OC1CCCC1)C(=O)Oc1ccc(C#N)c(C)c1 765093717 MBHQBPDNIDQLOW-INIZCTEOSA-N 287.359 3.510 30 20 CHED C#CCCCCCC(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F 767100728 ANOLMJVFSFTTDR-AAEUAGOBSA-N 277.330 3.663 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CCO[C@@H](C)C1 769707070 VCCYVBIQPYWTQM-HRCADAONSA-N 298.471 3.850 30 20 CHED C[C@H](C#N)N(Cc1ccc2ccc(Cl)cc2n1)C1CC1 878919118 HUWORIDDAKFHJA-LLVKDONJSA-N 285.778 3.765 30 20 CHED C#CCN(Cc1c[nH]nc1-c1cccc(Cl)c1)CC1CC1 1116449432 JBPACOGVABSWAB-UHFFFAOYSA-N 299.805 3.575 30 20 CHED CSc1ccsc1C(=O)OCCC(C)(C)C#N 776384986 BDSNHONWCKMCGX-UHFFFAOYSA-N 269.391 3.567 30 20 CHED COc1ccc(C=NOC2CCCCC2)cc1F 777456591 DDYXDGMHZSUFGT-UHFFFAOYSA-N 251.301 3.518 30 20 CHED CSC[C@](C)(C#N)NC(=O)/C(C)=C/C1CCC(C)CC1 875715035 ZOONXLMCBOSUSW-XFNQAOOYSA-N 294.464 3.520 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc3c(c2)OC(F)(F)O3)C1 774275782 YVIQYMVFJZJDSZ-ZJUUUORDSA-N 280.274 3.502 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@@H]1c1cccc(OCC)c1 779951359 SJEGCZIJDUMYQC-MSOLQXFVSA-N 299.414 3.641 30 20 CHED Cc1cc(C#N)ccc1NC1CCC(OC(=O)C2CC2)CC1 779235716 YMVKHTBJFSJJGE-UHFFFAOYSA-N 298.386 3.543 30 20 CHED CCC(=NNc1nccnc1C(C)C)c1ccc(O)cc1 773091493 RHYDSYGTBVXDLA-UHFFFAOYSA-N 284.363 3.532 30 20 CHED COc1ccc(C#N)cc1COC(=O)C=C1CCCCC1 772270739 XZVVSLYCYHTXES-UHFFFAOYSA-N 285.343 3.501 30 20 CHED C#CC[C@H](N[C@H]1C[C@@H](OCC)C12CCC2)c1ccccc1 776170978 LVYCZYQCOQIKTL-OKZBNKHCSA-N 283.415 3.688 30 20 CHED Fc1cccc(NN=Cc2cscc2Cl)c1 771877050 IRTVKHCJNXRJCN-UHFFFAOYSA-N 254.717 3.987 30 20 CHED C#CCCCCCc1nc(Cc2ccc(F)cc2C)no1 771354685 LWHFNVMZMDVRCH-UHFFFAOYSA-N 286.350 3.844 30 20 CHED CCCCCCCCCC(=O)N[C@]1(C)CCCOC1 771829228 JLICPSYVKUCLIV-MRXNPFEDSA-N 269.429 3.812 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCc1ccc(Cl)cc1 1124368584 PQZJLBKGBZRKRM-UHFFFAOYSA-N 285.730 3.877 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1cc(Cl)cc(Cl)c1F 880892828 TYNILHDXTKFMEY-LURJTMIESA-N 290.125 3.556 30 20 CHED C[C@H](C#N)CNN=C(CCc1ccccc1)c1ccccc1 771098731 MBLIBGKOUNUAGD-MRXNPFEDSA-N 291.398 3.773 30 20 CHED C=C1CCC(C(=O)N(CC(F)(F)F)C(C)C)CC1 888204176 GILUVXUHHOMELV-UHFFFAOYSA-N 263.303 3.532 30 20 CHED CCC(=NN[C@@H](Cc1ccccc1)C(C)C)[C@H]1CCOC1 777448771 QKOBYPLOCRTHCJ-WMZOPIPTSA-N 288.435 3.646 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCNc1ccccc1 775398235 YMDXOJYMGXMOFY-LJQANCHMSA-N 291.398 3.637 30 20 CHED C=CC(C)(C)CC(=O)Nc1sc(CC)cc1C#N 888349992 DHTORVMKZBYGPY-UHFFFAOYSA-N 262.378 3.723 30 20 CHED C#CCC1(C(=O)N2C[C@H](C)CCC[C@H]2C)CCCCC1 788446652 FQOSKIOXDSXVMB-HZPDHXFCSA-N 275.436 3.997 30 20 CHED Cc1cc(C=NNc2cccc(Cl)c2F)sn1 785453657 QKFBHLZOSBHTRO-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C#CC[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 784266141 QXPVSIXKLNTAGY-IBGZPJMESA-N 274.367 3.607 30 20 CHED C=CCCCCCN[C@H](CCO)c1cccs1 785790558 DPSIEWQPHZPVDF-CYBMUJFWSA-N 253.411 3.508 30 20 CHED O=C1/C(=C/c2ccccc2F)COc2c(F)ccc(F)c21 783712388 UTIUSQYAGRCOCE-JXMROGBWSA-N 290.240 3.763 30 20 CHED N#CCc1cccc(NC(=O)c2cccc3ccncc23)c1 1128981814 HJZQKBOPXPPMPO-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CC/C=C(/C)C(=O)OCc1ccc(Cl)cc1C#N 780035217 LMUQKFODGDRNLV-WMZJFQQLSA-N 263.724 3.611 30 20 CHED CC(C)(C#N)CCN1CC[C@H](C(F)(F)F)C1(C)C 385533104 KAFQIYZMCHKHBN-JTQLQIEISA-N 262.319 3.589 30 20 CHED Cc1cccnc1C=NNc1cccc(Cl)c1F 781587290 DFDPFMXSDBLVKQ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCCCCCC(C)=NNc1ccc(C(=O)OC)cn1 789034921 SXSDINWDMIPFOQ-UHFFFAOYSA-N 289.379 3.793 30 20 CHED CSc1ccccc1COC(=O)c1cccc(C#N)c1 781213165 BZNHQGUWYXGJHN-UHFFFAOYSA-N 283.352 3.637 30 20 CHED Cc1ccc(C2CC(=NN[C@H]3CCOC(C)(C)C3)C2)cc1 780247745 VCGIUVLWLMNSDJ-LYKKTTPLSA-N 286.419 3.776 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cc(C)nn1C 788994964 NNAQDZHOLNENSZ-AWEZNQCLSA-N 298.434 3.927 30 20 CHED N#Cc1ccc(NN=Cc2ccccc2C#N)cc1Cl 783880457 JEAYULPLBMLFBG-UHFFFAOYSA-N 280.718 3.529 30 20 CHED Fc1cc(NN=C2CC3(CCC3)Oc3ccccc32)ccn1 781126403 ABWHBBBHUUKEPT-UHFFFAOYSA-N 297.333 3.742 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](O)c1cc(F)cc(Cl)c1 787034910 LWVLALMAYZNFOG-RWSFTLGLSA-N 285.790 3.703 30 20 CHED C[C@@H](CNc1cccc(F)c1C#N)COCc1ccccc1 390143758 QCZYWYFHMZOIHZ-AWEZNQCLSA-N 298.361 3.962 30 20 CHED C=CCC(CC=C)c1nc([C@H](C)OCC(F)(F)F)no1 896604926 ZIOPPYIIJUOBOW-VIFPVBQESA-N 290.285 3.945 30 20 CHED CCc1onc(C)c1/C=C1/Cc2ccc(C)cc2C1=O 899356416 YQFRRYOXSOVUQD-LCYFTJDESA-N 267.328 3.676 30 20 CHED Cc1nn(C)c2cc(N[C@@H](C)CC(C)(C)C#N)ccc12 894563192 DBMCSFZBQUYMQS-NSHDSACASA-N 270.380 3.622 30 20 CHED CC(C)O[C@H](C=NNC1CCCC1)c1ccccc1 793003899 FBMTXVMEVOWHFH-MRXNPFEDSA-N 260.381 3.671 30 20 CHED C[C@H](NN=Cc1ccccc1Br)C(C)(C)C 793112247 RPSSCAISVDFTDX-JTQLQIEISA-N 283.213 3.807 30 20 CHED CCOc1cccc(/C=N/C[C@H]2CCC(F)(F)C2)c1O 797398937 SDHSNVKVWLPBMH-HPAYWCODSA-N 283.318 3.645 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc(-c2cscn2)cc1 797110904 LLQOMUXTZNKNSU-HNNXBMFYSA-N 286.356 3.655 30 20 CHED CC(C)Cc1ccc(C(=O)Nc2ncc(C#N)s2)s1 896472951 GIOYVONFEFZREK-UHFFFAOYSA-N 291.401 3.527 30 20 CHED Cc1cc(NC(=O)[C@H](C)C#N)ccc1-c1ccccc1 792837204 ZWAMLBGYESZVMA-CYBMUJFWSA-N 264.328 3.760 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 795992179 VXTIADLORJJXHJ-XUWVNRHRSA-N 276.424 3.647 30 20 CHED C=CC[C@@H](C)NCc1cccc(Br)c1OC 187248036 QNCKKKLDILFSBB-SNVBAGLBSA-N 284.197 3.512 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)c(C#N)c1 799340164 GXLGHLTVOPUPIX-UHFFFAOYSA-N 270.376 3.685 30 20 CHED CC(=NNc1ncccc1C)c1nc2c(s1)CCCC2 790193003 NRCGCCHICKUVEW-UHFFFAOYSA-N 286.404 3.561 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 794692442 WLECNLNKAPGOLB-WAYWQWQTSA-N 295.169 3.931 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(C)c(OC)c(Cl)c1 796794140 YXVXSOANIDGQRI-MNOVXSKESA-N 253.773 3.882 30 20 CHED Cc1cc(C)cc(NC(=O)Nc2cc(C#N)ccc2F)c1 1202849808 ZHGKLULNQPHVQM-UHFFFAOYSA-N 283.306 3.958 30 20 CHED CC[C@H](C)NN=C(C)c1ccc(F)cc1OC(F)F 790184406 VJDFLYYNVRBUHK-QMMMGPOBSA-N 274.286 3.539 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C=C(C1CC1)C1CC1 797171965 QOGBKDGKDRSBLL-UHFFFAOYSA-N 295.386 3.675 30 20 CHED CC(=NNCC1(C)CCCC1)c1ccc(C#N)s1 793085130 ZGNLLUROHGRBJY-UHFFFAOYSA-N 261.394 3.514 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cc(C)nc2ccccc12 797016756 LJBVXVXHAONYJO-KRWDZBQOSA-N 282.343 3.526 30 20 CHED CC1(C)CCC(=NOC[C@@H]2CCOC2)c2ccccc21 794859012 DRTFUACQBLMRPR-CYBMUJFWSA-N 273.376 3.515 30 20 CHED C#C[C@H](OC(=O)c1c(-c2ccccc2C)noc1C)C1CC1 796787504 AFIFJLUVIPZALV-HNNXBMFYSA-N 295.338 3.527 30 20 CHED Cc1ncccc1C=NNCc1c(Cl)cccc1Cl 793117714 OREDNFIWOGUXJM-UHFFFAOYSA-N 294.185 3.821 30 20 CHED Fc1cccc(NN=C2CCc3ccc(Cl)cc32)n1 795007064 YDTAPVUGKJENOA-UHFFFAOYSA-N 275.714 3.637 30 20 CHED N#Cc1cc(NC2CCC3(CCCCC3)CC2)ncn1 582822864 DIFRFQNTVNKLPO-UHFFFAOYSA-N 270.380 3.653 30 20 CHED C[C@H]1CC(CCN(C)CC(C)(C)C#N)C[C@H](C)C1 1307793480 KPDIJFLAHXNSOR-ZIAGYGMSSA-N 250.430 3.930 30 20 CHED Cc1cc(=NC2CCC3(CCCCC3)CC2)c(C#N)c[nH]1 1307094546 XOBFSAPZIWYTFH-UHFFFAOYSA-N 283.419 3.989 30 20 CHED Cc1cc(-n2c(C)cc(C=NOC(C)(C)C)c2C)no1 1319802516 GNXDCPDMBKHVSG-UHFFFAOYSA-N 275.352 3.540 30 20 CHED Fc1cnc(NN=CC2CCC(c3ccccc3)CC2)nc1 1321652039 BQOFFXPZEGAJQQ-UHFFFAOYSA-N 298.365 3.987 30 20 CHED Cc1ccc(NN=C[C@H]2CCSC2)cc1Cl 1320873789 GQKBSDCLVIDKCL-SNVBAGLBSA-N 254.786 3.799 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCc2ccc(C#N)s2)c1 1327712488 ZODKSBNBBQDWHV-GFCCVEGCSA-N 285.368 3.775 30 20 CHED CC[C@](C)(C=NNc1ccc(C)c(Cl)c1)OC 1324601657 MQXFCIYZUVFBTD-CYBMUJFWSA-N 254.761 3.861 30 20 CHED C=CCC1(c2nnc(Cc3ccccc3C)o2)CCC1 1326119885 SNEPWUJUCLSCKK-UHFFFAOYSA-N 268.360 3.967 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)CC(C)(C)C1 1653868484 RGZYXJQDTHEXPH-CYBMUJFWSA-N 256.393 3.735 30 20 CHED C=CCC1(C(=O)NC[C@@]2(C)CC2(Cl)Cl)CCCC1 1330694843 IJKYWBKXWKRLDV-GFCCVEGCSA-N 290.234 3.823 30 20 CHED C=C[C@H](COC)NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 1255035935 INGILWWQVKGJED-WMLDXEAASA-N 289.419 3.621 30 20 CHED N#Cc1cc(Cl)nc(N[C@H](c2ccccn2)C2CC2)c1 1337993857 OQIMDZDHHQMOHG-HNNXBMFYSA-N 284.750 3.565 30 20 CHED Cc1cc(Sc2cc(C(F)F)ncn2)ccc1C#N 1186781366 QMBVKKVPVRTHHZ-UHFFFAOYSA-N 277.299 3.746 30 20 CHED COc1cccc2c(CN3CCC[C@H](C#N)C3)cccc12 1183767557 DVTOBEUYCSPHAD-CQSZACIVSA-N 280.371 3.584 30 20 CHED CC1(C)C[C@@H]1CNc1nccc(Oc2cccc(C#N)c2)n1 1185323121 JPGORPLLLNUIKN-CYBMUJFWSA-N 294.358 3.599 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)OCc1ccc(C#N)s1 1331667542 UEDVKWFHMJPGKB-CYBMUJFWSA-N 299.395 3.850 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCCOc1ccccc1 1331957805 HSDNDSNXMNFHTA-UHFFFAOYSA-N 275.392 3.564 30 20 CHED Cc1cc(C#N)nc(N[C@H]2CCOC3(CCCCC3)C2)c1 1333671177 PXYFUNHYRWWJBB-AWEZNQCLSA-N 285.391 3.556 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(F)cc2Cl)cs1 1348528520 GCLVNWGSAVLUID-UHFFFAOYSA-N 280.711 3.665 30 20 CHED O=C(CC#Cc1ccccc1)N1CCC=Cc2ccccc21 1343406854 XMSGCRWPVMTGPD-UHFFFAOYSA-N 287.362 3.878 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ncccc1CSC 1340947831 DSCUZSXTBYSDOA-AWEZNQCLSA-N 290.432 3.515 30 20 CHED CCCC[C@@H](CC)CN1CCN(c2ccc(C#N)cc2)CC1 1197033880 ZLJSUUJAZVWGEH-QGZVFWFLSA-N 299.462 3.897 30 20 CHED Cn1ccc2cccc(NC(=O)CC#Cc3ccccc3)c21 1343471849 PYPZPRKCATWLOC-UHFFFAOYSA-N 288.350 3.559 30 20 CHED C=C(CC)C(=O)N(Cc1nc2ccccc2s1)C1CC1 1350611429 ZTIMXHFTXCMGRQ-UHFFFAOYSA-N 286.400 3.754 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 219257168 YKGSDRQOJRTYQB-HUUCEWRRSA-N 296.455 3.720 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1ccsc1 1357430253 FFWDZVKZQQJYAU-JSGCOSHPSA-N 278.421 3.949 30 20 CHED N#Cc1ccc(OCc2ccc(C#N)cc2Cl)c(F)c1 220979152 QKCIQKPNILQEOH-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C=CC(C)(C)COC(=O)c1nc(C)ccc1Br 1519015019 NLUWMYGVZMLEJQ-UHFFFAOYSA-N 298.180 3.522 30 20 CHED Cc1ccc([C@H](CC(F)(F)F)NCC2(C#N)CC2)cc1 1459909916 ZNPUIYUMKKSGEE-ZDUSSCGKSA-N 282.309 3.882 30 20 CHED Cc1ccc(COC(=O)CC2(C#N)CCCCC2)cc1 1458865852 SNBJXLSBENRKRI-UHFFFAOYSA-N 271.360 3.902 30 20 CHED Cc1cc(C)c2oc(NC(=O)c3csc(C#N)c3)nc2c1 1457180492 YHNZCICSSGRYQW-UHFFFAOYSA-N 297.339 3.630 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc3c2CCCC3)c1 1525310991 XVKSYLRQDNBMPJ-UHFFFAOYSA-N 290.366 3.998 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC[C@@H](C)c1ccccc1 1524364206 LQWDMOFEKHPCQR-CQSZACIVSA-N 292.382 3.790 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 1467712067 CTEBGNSQQBHKBE-UKPHBRMFSA-N 286.419 3.824 30 20 CHED N#CC[C@@H](C(=O)N[C@@H]1CC12CCCCC2)c1ccccc1 1520889931 RDKYSECGYSNKHH-HZPDHXFCSA-N 282.387 3.523 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C#N)ccc1C)CC2 1538008883 XVINSQPOFPWAPJ-GOSISDBHSA-N 290.366 3.592 30 20 CHED C[C@@H]1CC[C@H](OC(=O)C2(c3cccc(C#N)c3)CC2)[C@H](C)C1 1530247535 YJFBVWSLQALAMY-CPUCHLNUSA-N 297.398 3.958 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 1462167364 ALOLFIPJVQKSJL-WFASDCNBSA-N 274.339 3.852 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCc1ccc2ccccc2c1 1536521670 OBYVFSOSAYYWBE-SFHVURJKSA-N 294.398 3.923 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCC2CCCCC2)n1 1534294006 KWNKLJRLLUDUER-UHFFFAOYSA-N 285.391 3.951 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N(CC)[C@@H](C#N)CC 1617775989 KZOODUMYKPZGOL-IAGOWNOFSA-N 286.419 3.714 30 20 CHED CC(=O)c1cccc(OCc2ccc(OCC#N)cc2)c1F 1559461401 PFFQBARVAUCQBO-UHFFFAOYSA-N 299.301 3.510 30 20 CHED CCN(Cc1ccc(C)c(Br)c1)C[C@H](C)C#N 120501855 ZHYDEHRFBHHDRK-LLVKDONJSA-N 295.224 3.739 30 20 CHED CC[C@@H](Sc1cc(C#N)cnn1)c1ccccc1 1639614413 KHXYJKRRONUSEE-CYBMUJFWSA-N 255.346 3.592 30 20 CHED C=CCC[C@@H](NCCOCc1ccccc1)C1CC1 121507969 KGMACDOTPDOLRG-QGZVFWFLSA-N 259.393 3.538 30 20 CHED N#Cc1cc(F)cc(NC(=O)Nc2cccc3cc[nH]c23)c1 1563172605 OJYMMXLXTLEORJ-UHFFFAOYSA-N 294.289 3.823 30 20 CHED CCc1nc(C#N)cc(NC(CC(C)C)CC(C)C)n1 1642228749 BCGSOYBAEZOMKB-UHFFFAOYSA-N 274.412 3.783 30 20 CHED N#Cc1cccc(SCc2ccc3c[nH]nc3c2)c1 1640957151 HCISSARUGRBYFL-UHFFFAOYSA-N 265.341 3.727 30 20 CHED Cc1cc(=N[C@@H]2CCC[C@H](c3ccccc3)C2)c(C#N)c[nH]1 1655453039 YMULGMIVHMYAOS-FUHWJXTLSA-N 291.398 3.822 30 20 CHED CCc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc(CC)n1 1651812358 XBZLRAAIPKRILC-MRXNPFEDSA-N 292.386 3.572 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@@H]1C[C@@H]2CCC[C@@H]21 1658578197 XNMUFVCGOPVMPO-PWNZVWSESA-N 256.349 3.578 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2cc(C)cc(C#N)c2)C1 1651210852 RWMCNTITWVDPMD-UKRRQHHQSA-N 260.406 3.953 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2)c(C)c1 1777352406 OKVLFZAONMZFNC-RMKNXTFCSA-N 296.322 3.598 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccc(C(=O)O)c(F)c1)CC2 1776074147 KTUDRTDSAHSXES-UHFFFAOYSA-N 298.317 3.595 30 20 CHED Cc1cccc2c1C/C(=C/c1cccc(C(=O)O)c1F)C2=O 1777456092 JOLXDSKUOAFVKB-WQLSENKSSA-N 296.297 3.655 30 20 CHED CC#CC[C@@H](NCc1ccc(C2CCCCC2)cc1)C(=O)O 1776194611 WUUFCXRSNVPBOV-GOSISDBHSA-N 299.414 3.691 30 20 CHED Cc1c(NN=C2CCC[C@@H](C)[C@H]2C)cccc1C(=O)O 1776087520 HVURRSONEFGSGN-GHMZBOCLSA-N 274.364 3.917 30 20 CHED C[C@H]1CC(=O)c2c(OCc3cccc(C#N)c3)ccc(F)c21 14369363 WLWVRYCPHNPOOS-NSHDSACASA-N 295.313 3.966 30 20 CHED CCCn1nc(C)c(/C=C2/Cc3ccc(F)cc3C2=O)c1C 160722944 HNRHTAVBXFHRLH-ZROIWOOFSA-N 298.361 3.871 30 20 CHED CCCN(CCc1c(C)noc1C)Cc1ccc(C#N)cc1 164816350 FPWLVPCGWGYIRO-UHFFFAOYSA-N 297.402 3.618 30 20 CHED C=C(C)CNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 153058608 UWOJLWGYAWPTHL-UHFFFAOYSA-N 285.309 3.675 30 20 CHED C=CC1CCN(C(=O)c2sc(C)nc2CC(C)C)CC1 151141066 SCELIVWSGJZBRT-UHFFFAOYSA-N 292.448 3.688 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)c2ccc(C#N)c(Cl)c2)C1 157575208 CBDLNMXUZINAAT-NWDGAFQWSA-N 290.794 3.862 30 20 CHED C=CCN(C)C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 155683143 MSADNPNIMMRRFF-CQSZACIVSA-N 274.408 3.568 30 20 CHED Cc1cccc([C@@H](C)CNCc2cccc(C#N)c2)c1 153984908 HUUKZNLUFWUEDN-HNNXBMFYSA-N 264.372 3.760 30 20 CHED CC(C)(C)c1cc(NC(=O)c2cscn2)c(C#N)s1 154273715 DXAIJPWDEBNXNM-UHFFFAOYSA-N 291.401 3.626 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 154650760 UQSACDMTOULGDX-IAGOWNOFSA-N 294.483 3.680 30 20 CHED N#Cc1ccnc(Sc2cccs2)c1Cl 236060825 GICDIBMEXPLMGG-UHFFFAOYSA-N 252.751 3.819 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1 35052303 PUFGZUHVFKMVJQ-UHFFFAOYSA-N 267.719 3.695 30 20 CHED C[C@@H](NCc1cccc(F)c1)c1cccc(C#N)c1 37246991 JJRZLRBEIYUAQH-GFCCVEGCSA-N 254.308 3.548 30 20 CHED C[C@H](NC[C@H]1Cc2ccccc21)c1cccc(C#N)c1 37566209 ULWSVTSBLOIWAU-SUMWQHHRSA-N 262.356 3.549 30 20 CHED C=CC1CCN(c2ccc(Br)cc2C#N)CC1 302151075 HSGNESBNYNGRDD-UHFFFAOYSA-N 291.192 3.723 30 20 CHED CC[C@@H](C)[C@@H](C(=O)NCCCCC#N)c1ccccc1 70940616 MXQJNDALPYSJRG-GDBMZVCRSA-N 272.392 3.626 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 309653943 AYNLFHWZDKJWOK-LZLYRXPVSA-N 272.436 3.594 30 20 CHED C=CCCCCCCNCc1cc(OC)ccc1O 312110841 MIGNNOZKHBDMSK-UHFFFAOYSA-N 263.381 3.627 30 20 CHED C[C@H](CNc1cc(Cl)ccc1C#N)C(F)(F)F 475737580 DLMVXWLYHLVGQC-SSDOTTSWSA-N 262.662 3.822 30 20 CHED C=CCCCCCCNC[C@H](O)c1ccc(F)cc1 389220489 WHNGUCFVIVWLGQ-INIZCTEOSA-N 265.372 3.585 30 20 CHED c1ccc(CNN=C2CC[C@H]2c2ccccc2)cc1 769780621 DEHFHCAAQILIRC-INIZCTEOSA-N 250.345 3.710 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CC23CCCCC3)cc1F 589800596 XPHKRDPJAGSBKG-ZDUSSCGKSA-N 272.323 3.606 30 20 CHED Cc1cccc(CN2CCCC(C)(C)[C@@H]2C#N)c1C 446974913 MUZLOYKTTZEVOO-INIZCTEOSA-N 256.393 3.818 30 20 CHED Cc1ccc(-c2ccc(C(=O)N[C@@H](C)CC#N)c(F)c2)cc1 106758018 LMVSIOFWNACGDD-ZDUSSCGKSA-N 296.345 3.833 30 20 CHED CSc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 343020593 SCRGCEJRSAWNAN-UHFFFAOYSA-N 290.432 3.810 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1cccc(OC(C)C)c1 179758153 LUAFGQUGWYLOEZ-OAHLLOKOSA-N 287.403 3.845 30 20 CHED C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1C 179769686 DRSHRGNMTFUEDW-GHMZBOCLSA-N 291.782 3.864 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1cccs1 57825096 YYQYMUWRADOWNN-VOTSOKGWSA-N 250.269 3.922 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1ccc(C)cc1 106422408 JJKWKROAKWBYAY-UHFFFAOYSA-N 272.392 3.516 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1ccc(C)nc1 112183846 DAKHVNKHBDOIRJ-UHFFFAOYSA-N 286.419 3.527 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1C1CCCCC1 116973995 PBHSEFPYDYPXCX-DZGCQCFKSA-N 264.413 3.705 30 20 CHED C=CCC[C@@H](NCCCn1cnc2ccccc21)C1CC1 119911084 IXCHXEJGWGWDFN-MRXNPFEDSA-N 283.419 3.761 30 20 CHED C=CCN1CCC(N[C@H](CC)c2ccc(C)cc2)CC1 177905568 SGENHZKPPYTPRJ-GOSISDBHSA-N 272.436 3.686 30 20 CHED C[C@@H]1CCCN(c2ccc(C#N)cc2Br)C1 116942646 LLHUMWCFIWZJHH-SNVBAGLBSA-N 279.181 3.557 30 20 CHED C=CCS[C@H](C)C(=O)Nc1ccccc1Cl 114757162 XNXJNFBQTVDVGN-SECBINFHSA-N 255.770 3.586 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1 306504243 YOCQRWGTQYUEDL-SFHVURJKSA-N 292.382 3.765 30 20 CHED C[C@H](c1ccsc1)N1CCN(c2ccc(C#N)cc2)CC1 302181740 QWZNPIKFPGUKJB-CQSZACIVSA-N 297.427 3.503 30 20 CHED CCCC[C@H](C)C(=O)N[C@](C)(C#N)CCc1ccccc1 409989531 VRJDTDBGUGJSBY-YJBOKZPZSA-N 286.419 3.844 30 20 CHED CCN(CC)c1ccc(CNc2ncccc2C#N)cc1F 66859966 NUAOGSRIDXWYNU-UHFFFAOYSA-N 298.365 3.551 30 20 CHED Cc1cccnc1NC(=O)N[C@@H](CCC#N)c1ccccc1 178641163 OYRRGCSGGOZMPB-HNNXBMFYSA-N 294.358 3.557 30 20 CHED CSc1ccc(Nc2cc(C#N)ccc2[N+](=O)[O-])cc1 302214475 OBVIAHYJQKETOZ-UHFFFAOYSA-N 285.328 3.932 30 20 CHED C#CCCCCC(=O)Nc1cccc(C(F)F)c1 119778489 XSOZXNZHCADRDP-UHFFFAOYSA-N 251.276 3.756 30 20 CHED COC[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)cc1 174050620 STBDUYMZVMNSRZ-CQSZACIVSA-N 296.370 3.584 30 20 CHED N#CCC[C@H](C#N)CN[C@@H](c1ccccc1)C1CCC1 119884598 SKXTVXJMQOLVDK-PBHICJAKSA-N 267.376 3.561 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H]1c1ccc(C)s1 114671171 MZGGLVOKZDCVGB-KGLIPLIRSA-N 293.432 3.701 30 20 CHED C[C@@H](O)c1ccc(CNc2ccc(Cl)cc2C#N)cc1 171830785 CNMLGLZMYWUFQQ-LLVKDONJSA-N 286.762 3.877 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCC2CC2)cc1 115376773 GSGFJEWGFBFISO-MRXNPFEDSA-N 284.403 3.855 30 20 CHED CO[C@H](C)c1nc(CO/N=C/c2ccccc2C)cs1 177534628 GGEOUHJXKYBNRV-GGNJANJASA-N 290.388 3.710 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(F)c(Cl)c1 122232157 ORVMHNYXHSFOCL-VIFPVBQESA-N 254.736 3.679 30 20 CHED Cc1cc(C#N)cc(NCc2cccc3c2OCCCO3)c1 308111998 PCEMJYJGTUFAQA-UHFFFAOYSA-N 294.354 3.640 30 20 CHED CC(C)N(CCCNc1cccc(F)c1C#N)C(C)C 301425612 GXIYPUARPUNSIB-UHFFFAOYSA-N 277.387 3.618 30 20 CHED C=C(C)[C@H](NC(=O)N[C@H](C)CC)c1ccc(F)c(F)c1 187044178 OUVNMIQVIPLQNW-YGRLFVJLSA-N 282.334 3.680 30 20 CHED C/C=C(\CC)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 188485011 NKVOTTSDBLFDNH-ZJNVBJFISA-N 270.376 3.824 30 20 CHED CC(C)C(C)(C)CNCc1ccc(O[C@H](C)C#N)cc1 189467329 KIQNDSKCYKEMSI-CQSZACIVSA-N 274.408 3.749 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1c(C)n[nH]c1C 186315486 HXMTYRLFPREWSZ-QGZVFWFLSA-N 294.402 3.544 30 20 CHED C#CCCCN[C@@H](CC)c1cc(Br)ccc1O 186218744 UIJDQFKXDIXIKB-ZDUSSCGKSA-N 296.208 3.609 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])o1 76851899 UNIRRIBTTWVMQN-ZWNOBZJWSA-N 297.314 3.795 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)cc1C 129907194 KKEMAAMIXZRFEY-DOTOQJQBSA-N 284.403 3.908 30 20 CHED C=CC[C@@H](C)NCc1cc(-c2ccncc2)ccc1OC 187247989 YKIMXQXIECCRRG-CQSZACIVSA-N 282.387 3.811 30 20 CHED C[C@@H](CCc1cccc(F)c1)N(CC#N)C1CCCC1 183344109 CZXDJZZCWXMMGH-AWEZNQCLSA-N 274.383 3.915 30 20 CHED CNC(=O)c1ccc(/C=C/C(=O)c2cc(C)sc2C)cc1 74067970 WLLIIUDYVJPBBF-RMKNXTFCSA-N 299.395 3.621 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(C#N)c2)s1 121055775 FJAXHYRGHVDGJC-LLVKDONJSA-N 299.399 3.681 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 184662372 TZWXFEUAHWRGOH-NSHDSACASA-N 292.345 3.737 30 20 CHED N#CCSCCCN1CCCC[C@H]1Cc1ccccc1 74990061 PBJDOGCPXDGABI-KRWDZBQOSA-N 288.460 3.730 30 20 CHED C[C@]1(c2ccccc2)CC[C@H](N2CCC(C#N)CC2)C1 187085768 TVAPLXZAGQWWAP-ROUUACIJSA-N 268.404 3.732 30 20 CHED C=CCC(CC=C)C(=O)NCc1nc(C(C)C)cs1 128945256 HKVZQIFGKPVNFL-UHFFFAOYSA-N 278.421 3.651 30 20 CHED COc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)CCS2 414169740 RZMBAUFXVWWXIU-CQSZACIVSA-N 290.432 3.762 30 20 CHED N#Cc1ccnc(SCC2CCC(F)(F)CC2)c1 412990516 IHIZOSXMPJOOQA-UHFFFAOYSA-N 268.332 3.871 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(F)c(Cl)c1 500866535 SYMRNDURNAGYOR-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@H](C(=O)NCC1(C#N)CCC1)c1ccc2ccccc2c1 416346463 LKRWBFWWXLCUOH-AWEZNQCLSA-N 292.382 3.753 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1csc(C2CCCCC2)n1 412167237 AIIXHAPHKGAFDL-LLVKDONJSA-N 291.420 3.565 30 20 CHED C=CCC[C@@H](N[C@@H]1COCc2ccccc21)C1CC1 417365614 NXOBTDLJUMOXIC-IAGOWNOFSA-N 257.377 3.592 30 20 CHED Cc1cc(CNCC2(C3CC3)CCC2)ccc1C#N 444005318 WANLOLJCNNXHPA-UHFFFAOYSA-N 254.377 3.537 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccncc1 181395621 FOBFVFGQEFYJHN-ZBFHGGJFSA-N 287.407 3.673 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1ncc(C#N)cc1F 413231763 MHFMPDRZOUAIOE-LBPRGKRZSA-N 269.323 3.882 30 20 CHED C=CCc1ccc(OCc2c(CC)noc2C)c(OC)c1 122548544 RKTWVKPDBOHMSI-UHFFFAOYSA-N 287.359 3.862 30 20 CHED CN(C(=O)C1(C#N)CCCC1)c1ccc(F)c(Cl)c1 180206604 QWFQAPILIMDQQB-UHFFFAOYSA-N 280.730 3.526 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(F)cc1Cl 124220031 JSNFLYAZVLJTFW-SECBINFHSA-N 255.720 3.623 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2cccc(C#N)c2)c1 410041332 IVDHOCWSHPUAHO-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C=CCC[C@@H](O)CN[C@@H](CC)c1ccc(Cl)cc1 121774195 DUXVNDDWROKGSF-CABCVRRESA-N 267.800 3.708 30 20 CHED C=CC[C@H](C)NCc1ccc(Br)c(C)c1 128708181 BUPNHMLBYHZUTF-NSHDSACASA-N 268.198 3.812 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2N(C)CCCC#N)cc1 75886318 WZHONQLSTGTJEM-DLBZAZTESA-N 256.393 3.867 30 20 CHED Cc1ncc(CS[C@@H](C)c2ccc(C#N)cc2)cn1 507077080 JJNIISNYTPZUOZ-NSHDSACASA-N 269.373 3.651 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Cc1ccccc1Cl 410130456 LYSNHTGBNMCNRP-JSGCOSHPSA-N 279.811 3.990 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCO[C@@H](C(C)C)C1 414308185 SLWUKLIGXLLZKV-CEXWTWQISA-N 287.447 3.967 30 20 CHED C=CCn1c(CC2CCCCC2)nnc1N1CCCCC1 508880614 MIGSCFFWRGBBQG-UHFFFAOYSA-N 288.439 3.577 30 20 CHED CC[C@H](CNc1nc(C)ccc1C#N)Oc1ccccc1C 500266339 IXHWQQWMIPWZQE-MRXNPFEDSA-N 295.386 3.840 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 135001256 DOCJTVWSTZXMFN-QAPCUYQASA-N 287.403 3.613 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 186624756 PFCHIAWTRUGNQR-BLLLJJGKSA-N 288.416 3.729 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)NCCCC1CCCC1 46889475 SNLDOLUYAPVLJB-UHFFFAOYSA-N 299.418 3.670 30 20 CHED C[C@@H]1CCC[C@@H](NCCSCc2ccccc2C#N)C1 508312049 AXBJEEFIPXDPFA-RHSMWYFYSA-N 288.460 3.960 30 20 CHED CCc1cccc(CC)c1NC(=O)N(CC)CCC#N 80164136 BFGUQBXQYWRZAT-UHFFFAOYSA-N 273.380 3.579 30 20 CHED CN1CCCC[C@@H]1CC/C(O)=N/CC1CCC(C#N)CC1 329361315 YJRJBDFOSAXHIB-UYSNPLJNSA-N 291.439 3.537 30 20 CHED COc1cc(C#N)ccc1CSc1ccoc1C 131372802 RXPCPLQFZQFJJL-UHFFFAOYSA-N 259.330 3.761 30 20 CHED C=CCOCCOc1cccc(-c2nc(C)cs2)c1 418866937 OIDBFRJNKGVMRJ-UHFFFAOYSA-N 275.373 3.700 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccc(C2CC2)cc1 416748069 FYWKLPALCOIJPL-CYBMUJFWSA-N 272.392 3.843 30 20 CHED C=C(C)CCn1cnc2c(Cl)cc(Cl)cc2c1=O 505433515 QFGSPPLCZVENQQ-UHFFFAOYSA-N 283.158 3.670 30 20 CHED C=CCCCCCN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 193458811 POXVSPHYODRYLQ-HNNXBMFYSA-N 288.439 3.608 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc3ccccc3c2)C1 612158982 PVEMTGMHWWPNKC-GOSISDBHSA-N 264.372 3.965 30 20 CHED CCCCCCCCCC(=O)NCc1cc(C)no1 194519497 XMQHKUMOJUERAZ-UHFFFAOYSA-N 266.385 3.740 30 20 CHED C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 193058678 CVPAXRQDRWNHHH-KBPBESRZSA-N 299.418 3.998 30 20 CHED C=CC[C@@H](C(=O)N1CCC(C(F)F)CC1)c1ccccc1 427745719 XZVHHQYBTINNPZ-OAHLLOKOSA-N 293.357 3.850 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C#N)s2)ccc1F 134491006 OHUYOEZNKCRJLI-ZZXKWVIFSA-N 271.316 3.963 30 20 CHED C[C@H]1CC(C)(C)C[C@@H]1NCc1ccc(OCC#N)cc1 193131509 GIMLQLCHZDTYAT-BBRMVZONSA-N 272.392 3.503 30 20 CHED C[C@@H](C#N)C(=O)N(C)c1ccc(Oc2ccccc2)cc1 510422027 ZYSWFXHTWSRJJM-ZDUSSCGKSA-N 280.327 3.601 30 20 CHED N#Cc1ccc(CNc2cc(C3CC3)ccn2)cc1F 421357429 ODOMVTKBUBLWDA-UHFFFAOYSA-N 267.307 3.582 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 190940234 WNWHWFANQOTQSX-PBHICJAKSA-N 299.418 3.668 30 20 CHED CCC1(CC)CCCN(C(=O)NCC(C)(C)C#N)CC1 512911950 LSDWBOAZXQCRIB-UHFFFAOYSA-N 279.428 3.538 30 20 CHED C=CCN(CC=C)C[C@@H](OC)c1ccc(Cl)cc1 513968718 JRKPMDTYIRVSGM-OAHLLOKOSA-N 265.784 3.702 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CCC1 190424213 BNXRANMJYCZLDB-CABCVRRESA-N 273.351 3.544 30 20 CHED C=CCCCCCNc1ccccc1C[S@@](C)=O 195451950 HSAHZONAVYQPTF-GOSISDBHSA-N 265.422 3.723 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 518925157 DXSICRWKMXBBHE-MNOVXSKESA-N 288.416 3.873 30 20 CHED CSc1ccc(NC(=O)c2ccccc2OCC#N)cc1 194089945 IBNOSXBPDMHIRI-UHFFFAOYSA-N 298.367 3.563 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C3CC3)cn2)c(Cl)c1 336113754 OAXMSDPBHNMQLG-UHFFFAOYSA-N 297.745 3.736 30 20 CHED CC[C@](C)(/N=C(/O)[C@@H]1CCCOCC1)c1nccs1 330133538 LZOFPPFVVNCERN-RISCZKNCSA-N 282.409 3.542 30 20 CHED Cc1csc(C(=O)N(CCC#N)CC(C)C)c1Cl 232597332 JCSFURJOWBKMLQ-UHFFFAOYSA-N 284.812 3.722 30 20 CHED CC1CCC(O)(COc2cc(Cl)ccc2C#N)CC1 339345080 YHBHZDOSDWYNJE-UHFFFAOYSA-N 279.767 3.532 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 331495612 GRVIBMUXEOEGLF-XUWVNRHRSA-N 291.439 3.583 30 20 CHED Cc1cscc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 335087381 VDFNVNLOGWELPL-LBPRGKRZSA-N 284.384 3.761 30 20 CHED C=CCCCCNCc1nc2ccc(F)cc2s1 428865013 FMTYTNAGKJWDSM-UHFFFAOYSA-N 264.369 3.881 30 20 CHED CC(C)CC[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 236620897 LZCGWPXGKBNJHZ-GJZGRUSLSA-N 274.408 3.892 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)C#N)cc1 334305286 GJHHVRKRTZETKO-BBRMVZONSA-N 270.376 3.633 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nc(C(C)(C)C)cs1 339085808 LTOMSEVFGAPRHU-TUAOUCFPSA-N 277.437 3.783 30 20 CHED COc1ccc(Cl)cc1NC(=O)c1ccc(C#N)s1 335724419 OKEYGNXRNFHGAB-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCN(C(=O)c1ccnc(C)c1)c1ccc(C#N)c(Cl)c1 335774845 ZHDNMQFWQFHJIH-UHFFFAOYSA-N 299.761 3.582 30 20 CHED Cc1ccc(C(C)(C)CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1 438985766 ORQDBEAGXIWOIO-NVXWUHKLSA-N 270.420 3.897 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1[C@@H](C)[C@H]1C1CC1 528154302 FDEZXRRQAWEKAR-MZPVMMEZSA-N 298.386 3.576 30 20 CHED C=C(C)COCCN[C@@H]1CC[C@@](C)(c2ccccc2)C1 438201691 QTRUXUWFCSIFIM-QZTJIDSGSA-N 273.420 3.679 30 20 CHED C=C(C)CN(CC)CC(=O)Nc1ccccc1C(C)(C)C 248240747 OHOWUHDFZFYTFO-UHFFFAOYSA-N 288.435 3.821 30 20 CHED Cc1cc(N(C)CC(C)(C)C#N)c2cc(F)ccc2n1 432139992 NYBAXKOVVRBIHQ-UHFFFAOYSA-N 271.339 3.668 30 20 CHED C#CCCCC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C 248681520 WQGJKMONDXQING-INMHGKMJSA-N 269.388 3.583 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@H]1C 340733613 BMIPAKULCGEIBT-MLGOLLRUSA-N 288.366 3.738 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 604532915 SFZMVFHLOITBPH-YOEHRIQHSA-N 299.418 3.839 30 20 CHED N#Cc1cccc(-c2csc(Nc3ccccn3)n2)c1 439143554 BYOMGEABRBDRMU-UHFFFAOYSA-N 278.340 3.820 30 20 CHED CC#CCCCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 248614311 HWNBIPNOAYGOAC-MDZRGWNJSA-N 299.414 3.557 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1CCCC[C@@H]1C 609142971 HWCLCQPAEMVAQN-JKSUJKDBSA-N 278.440 3.991 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(CN(C)C)cc2)no1 525955073 HYGIVKHZSGDTDT-KRWDZBQOSA-N 285.391 3.652 30 20 CHED C=CCn1cccc1-c1nc(-c2ncccc2SC)no1 347174797 ZFOPRWZUPDRXGT-UHFFFAOYSA-N 298.371 3.508 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(C)cc1 604900724 DIXHZXPKNAEQFP-ZBFHGGJFSA-N 272.392 3.806 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cncc(C(F)(F)F)c1 343599951 FBILESWPWMYKNB-SNVBAGLBSA-N 286.297 3.575 30 20 CHED CC(C)Sc1c(Cl)cccc1NC(=O)[C@H](C)C#N 346478006 VQARCINUCUPVFO-SECBINFHSA-N 282.796 3.939 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 444023310 PHPPNHKXDRQBJN-KFWWJZLASA-N 293.455 3.782 30 20 CHED CC(C)[C@H](NC(=O)[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 609848100 XSYRXMXHTRHCJB-GWCFXTLKSA-N 298.308 3.678 30 20 CHED C=CCn1c(SCC(=C)CC)nnc1-c1ccncc1 358559759 KVJNHYVIHTTXSW-UHFFFAOYSA-N 286.404 3.584 30 20 CHED CC(C)CC1(CNC(=O)Nc2ccc(C#N)c(F)c2)CC1 353522672 OKEYGGOFSCHKLZ-UHFFFAOYSA-N 289.354 3.645 30 20 CHED CCCOc1ccc2c(c1)CCN(CCC(C)(C)C#N)C2 537365569 ZHZJNGWTAAQQNK-UHFFFAOYSA-N 286.419 3.773 30 20 CHED FC(F)(F)C1=CCN(CC#Cc2ccc(Cl)cc2)CC1 533834963 PMQWMIOPWIBNHX-UHFFFAOYSA-N 299.723 3.886 30 20 CHED CCCC(O)(CCC)CN[C@H](C)c1ccc(C#N)c(F)c1 537404764 HXSYZMGZOIVDLV-CYBMUJFWSA-N 292.398 3.679 30 20 CHED N#CCSCCCN[C@@H](c1ccccc1)C(F)(F)F 532642435 DGJZITXKXGUXRH-LBPRGKRZSA-N 288.338 3.526 30 20 CHED CCN(Cc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1C 444658207 MWUMERWCFMTCJP-YOEHRIQHSA-N 256.393 3.959 30 20 CHED C=CC(C)(C)CN[C@@H]1CCN([C@H](C)c2ccccc2)C1 449484608 IHAMYGHIRVKWEK-NVXWUHKLSA-N 272.436 3.624 30 20 CHED COCC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccco1 353680586 UFNRHSLYLGMQFW-IRXDYDNUSA-N 296.370 3.506 30 20 CHED C=C(C)CN(CCCOC(C)C)Cc1cnn(C(C)C)c1 352904966 WNBIIVWIEKCNOG-UHFFFAOYSA-N 293.455 3.657 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2c(F)cc(F)cc2C1 614402799 RJQXTGQIMKTRBS-UHFFFAOYSA-N 298.336 3.703 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 619549823 NYHPZBITEWAHNB-INIZCTEOSA-N 294.354 3.683 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@@H]2c2cccc(OCC)c2)CC1 356696337 IKEAXELHSYXZQH-IAGOWNOFSA-N 299.414 3.804 30 20 CHED Cc1cc(CN2CCCC(C)(C)[C@@H]2C#N)c(C)s1 444720697 UGKFZNAOVPPTRJ-AWEZNQCLSA-N 262.422 3.879 30 20 CHED C=CCC[C@H](CC)N[C@@H](C(=O)OCC)c1ccccc1 446795345 GXOJKNBRGZQOPB-JKSUJKDBSA-N 275.392 3.625 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC(C)(C)C1 355643524 MZAFYZXNRWXJFW-CYBMUJFWSA-N 285.391 3.755 30 20 CHED CC(C)(CCC#N)CN1CCCc2sccc2C1 611271126 IMXNLVKXKHPLBZ-UHFFFAOYSA-N 262.422 3.826 30 20 CHED C=C(CC)CS[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 539094749 HLXWTIWVQXGDOB-BFHYXJOUSA-N 269.454 3.769 30 20 CHED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCCC#N 359986902 UAKWDUFULNXPKJ-LLVKDONJSA-N 298.308 3.919 30 20 CHED C[C@@H]1CC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)[C@H](C)C1 618803885 JBDPKBMPWXOBOC-COCCGSRQSA-N 268.404 3.960 30 20 CHED CC[C@H](NCC1(CO)CCCCC1)c1ccc(C#N)cc1 618571869 IROOFGCPHXFNKR-KRWDZBQOSA-N 286.419 3.542 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H]1CC(C)(C)c2ccccc21 458583723 ZWSVOWHQZKFNLL-OAHLLOKOSA-N 299.418 3.648 30 20 CHED C=CCC(CC=C)C(=O)NCCc1cc(C)ccc1F 456305224 LDHZYHHTDDDSMN-UHFFFAOYSA-N 275.367 3.561 30 20 CHED CN(C(=O)c1ccc(-c2ccco2)s1)C1(C#N)CCC1 610799697 KBKJJHAVAKRVQN-UHFFFAOYSA-N 286.356 3.526 30 20 CHED CC(C)(CC#N)CN[C@H]1CCC[C@H](c2cccnc2)C1 459730404 LZWZAXJKBPZVLN-HOCLYGCPSA-N 271.408 3.637 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1C(=O)CC(C)(C)C#N 618678234 JXDKPPHLMGUJAU-KRWDZBQOSA-N 284.403 3.708 30 20 CHED Cc1ccc(CN(C)C(=O)c2cc(C#N)cs2)cc1C 456969055 VJTAATJZIAKCTD-UHFFFAOYSA-N 284.384 3.509 30 20 CHED CCN(Cc1ccoc1)C(=O)c1ccc(C(C)(C)C#N)cc1 619433831 SKBXILBCRJMWQL-UHFFFAOYSA-N 296.370 3.743 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(C)cc1OC(C)C 450086495 DOFVLGUKNWVDKW-UHFFFAOYSA-N 275.392 3.611 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H]1CCOC2(CCC2)C1 450717453 KWSAWGXJVJABDH-GFCCVEGCSA-N 290.794 3.973 30 20 CHED CCn1cc(N[C@@H]2CCCCc3cc(C#N)ccc32)cn1 360882527 FBUGAICSUOQAJH-QGZVFWFLSA-N 280.375 3.654 30 20 CHED N#C[C@@H]1CC[C@H](Sc2n[nH]c(/C=C\c3ccccc3)n2)C1 450800443 YFRFQYJXKQBRDR-ZAACICEASA-N 296.399 3.759 30 20 CHED C=CCC1(CN[C@H](CC)[C@@H]2CCOC2)CCCC1 453354739 HVVCUJZDFBWHAL-HUUCEWRRSA-N 251.414 3.528 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCC(C)(C)CC#N 459260366 POGOUVUVANPMQO-GOEBONIOSA-N 299.418 3.514 30 20 CHED CC(C)CCCCC(=O)N[C@H](C#N)c1ccccc1F 457526470 PYHZSOMNBYCENF-OAHLLOKOSA-N 276.355 3.723 30 20 CHED CCCCCCC[C@H](C)CNC(=O)CCc1ccncn1 277391380 GBLGBURASGMQAA-HNNXBMFYSA-N 291.439 3.522 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1CCC(C)(C)C#N 271949061 AQNLLRYHOVVTFV-HOCLYGCPSA-N 256.393 3.804 30 20 CHED C[C@H](N[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1 276237891 ORSLVXDXEUBSGI-ZJUUUORDSA-N 256.271 3.658 30 20 CHED C=CCC[C@@H](c1ccccc1)N1C(=O)[C@H]2CCCCN2C1=O 272062217 CMYGLBCVBPRWEK-JKSUJKDBSA-N 298.386 3.511 30 20 CHED C=CCC[C@@H](C(=O)NCC1=CCCC1)c1ccccc1 620008399 LOHZQWWFNYUEJH-QGZVFWFLSA-N 269.388 3.963 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1nccc2c(OC)cccc12 450501474 PRVHWXRYUGQUDY-DYVFJYSZSA-N 298.386 3.637 30 20 CHED CCC1CCC(CNC(=O)N2CCC(CC#N)CC2)CC1 541915186 BPCRCQPHZVAZGD-UHFFFAOYSA-N 291.439 3.538 30 20 CHED C#CCCCC(=O)N(Cc1ccc(OCC)cc1)C(C)C 276956583 CSGGZGKZROHYGK-UHFFFAOYSA-N 287.403 3.626 30 20 CHED C=CCN(C(=O)Nc1c(C)cccc1Cl)C1CC1 274376402 TWIQPTJDCUJIBM-UHFFFAOYSA-N 264.756 3.831 30 20 CHED CC(C)Cn1cc(N[C@H](C)c2ccc(C#N)c(F)c2)cn1 272065769 UQBJYPQUHGJLFN-GFCCVEGCSA-N 286.354 3.723 30 20 CHED CC#CCCCC(=O)NCCc1cccc(Cl)c1Cl 464561294 SINKXJKTXSWWEV-UHFFFAOYSA-N 298.213 3.846 30 20 CHED C=CCN(C(=O)CCc1ccc(F)cc1F)C(C)(C)C 622945057 QHZMGRPOZGSJDL-UHFFFAOYSA-N 281.346 3.711 30 20 CHED CC(C)C1(C)CCN(C(=O)c2ccc(CC#N)cc2)CC1 275297318 WEANIPRJNYUIFV-UHFFFAOYSA-N 284.403 3.651 30 20 CHED C[C@@H](C(=O)N1CCC[C@H]1C(C)(C)C)c1cccc(C#N)c1 463946629 QUVXGOQBNAZZRI-CJNGLKHVSA-N 284.403 3.699 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](C)Oc2cccc(F)c2)n1 463080605 CBMUSMHAJWHUOV-CYBMUJFWSA-N 299.349 3.589 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 462138937 MEWXZJAKORBZFM-KBRIMQKVSA-N 284.403 3.904 30 20 CHED C=CCCC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 288417467 NPVYMMMJKJOOSM-HOCLYGCPSA-N 257.377 3.952 30 20 CHED C=C(C)CCc1noc(-c2c(-c3cccnc3)noc2C)n1 288990251 CNDRAHPIVUFRSE-UHFFFAOYSA-N 296.330 3.604 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC2(C)C)c1 554195507 YLTGZINAJGGHPM-CQSZACIVSA-N 274.364 3.562 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccnn1C(CC)CC 620857898 NNMXPXZGCWRPRW-UHFFFAOYSA-N 277.412 3.719 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C=C(CCC)CCC 281650011 YMOLOJSMQVWXAF-RDJZCZTQSA-N 279.424 3.610 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 620858257 BMLBSHCBTNTXHR-RYUDHWBXSA-N 293.357 3.929 30 20 CHED C=CC[C@@H](C)[C@H](C)NCCOC1CCCCCC1 558009254 IERQQROUESPLTP-CABCVRRESA-N 253.430 3.916 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)C1 461925935 AMKURGXNYBRMAT-IIAWOOMASA-N 284.403 3.604 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCCCC2(C)C)CC1 466525340 AQTMCYZLJNVAMQ-CQSZACIVSA-N 264.413 3.563 30 20 CHED N#Cc1ccc(Sc2ccc(F)cc2[N+](=O)[O-])c(F)c1 463077296 OITFCQMVRVQEPU-UHFFFAOYSA-N 292.266 3.896 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1c1ccccc1 466378336 LGRKNVPQGSBLFV-HOTGVXAUSA-N 272.392 3.888 30 20 CHED N#C[C@H](C1CCCCC1)n1ccc(C(F)(F)F)cc1=O 289638626 MYZNQNXQGLRKCA-GFCCVEGCSA-N 284.281 3.512 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C)cc1F 473496049 FUDFMHFYIDWDFE-UHFFFAOYSA-N 250.317 3.612 30 20 CHED C=CCCCCNC(=O)N(CCC)Cc1ccc(C#N)cc1 472837919 UKXKLUIOLJDDJU-UHFFFAOYSA-N 299.418 3.836 30 20 CHED CCC[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 474696528 RNJJWQQHYUTPPE-SUMWQHHRSA-N 272.392 3.952 30 20 CHED Cc1cc(OC(=O)Cc2ccsc2)c(C)c(C)c1C#N 809037496 AXAIMVQWFCLBHD-UHFFFAOYSA-N 285.368 3.693 30 20 CHED C#CCOc1ccccc1-c1noc(C[C@H]2C=CCCC2)n1 809395489 MFQIIABFMNNPNU-AWEZNQCLSA-N 294.354 3.647 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1cccc(OC(F)F)c1 299697103 OMAWZGUQHIVUQO-QWRGUYRKSA-N 268.307 3.631 30 20 CHED N#Cc1ccc(F)cc1COC(=O)C1(C(F)F)CCCC1 808647693 HNJXXJZQJUAFNM-UHFFFAOYSA-N 297.276 3.566 30 20 CHED c1ccc2c(c1)CCCC2=NNc1nccnc1C1CCC1 807993276 YKTMVLQUKGXBGY-UHFFFAOYSA-N 292.386 3.897 30 20 CHED C[C@H](C#N)OCCN1C[C@@H](C(C)(C)C)c2ccccc21 801950527 LREYPYXTYIUEDD-UKRRQHHQSA-N 272.392 3.565 30 20 CHED N#Cc1cc(NCCCc2cccc(Cl)c2)ccn1 561158236 BLIDPBHVOMCEDL-UHFFFAOYSA-N 271.751 3.651 30 20 CHED C=CCCCCNC1CCN([C@@H]2CCCC[C@H]2C)CC1 471598752 YFVUKEDVKWOUHE-SJLPKXTDSA-N 278.484 3.975 30 20 CHED C=CCCCCNC(=O)c1ccc(Cl)c2cccnc12 471667480 JVDMGXFUKDKJRK-UHFFFAOYSA-N 288.778 3.974 30 20 CHED C[C@H]1/C(=C\c2ccc([N+](=O)[O-])c(O)c2)C(=O)c2ccccc21 809158789 DELCFANKZDPRCX-WWNSAXIVSA-N 295.294 3.684 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(C)cc(OC)c1C 470440374 GOPCAGRZCARIJA-UHFFFAOYSA-N 284.359 3.552 30 20 CHED CCO[C@H]1CC(=NNc2ccc(Cl)cc2)[C@@H]1SC 807942285 NVSNSXCUYRFPQD-STQMWFEESA-N 284.812 3.648 30 20 CHED FCCC[C@@H]1CCCC1=NOCCC(F)(F)F 800816219 FJPFIUJTDWQHMD-VIFPVBQESA-N 255.255 3.861 30 20 CHED C=CCCc1noc([C@H](C)OC2CCCCCC2)n1 297372656 QPDVBXGTQMFCJP-LBPRGKRZSA-N 264.369 3.989 30 20 CHED C=CCCCCCCNC(=O)C1=C(CC)OCCC1 805219446 KYPVIVVMSHLWMR-UHFFFAOYSA-N 265.397 3.714 30 20 CHED CC[C@H](Nc1ccc(C#N)c(Cl)c1)C1CCOCC1 470872595 SXVULUSIYPKXOA-HNNXBMFYSA-N 278.783 3.829 30 20 CHED N#CCCCC(=O)N(Cc1ccsc1)c1ccccc1 291508860 OIHKKDSDROLFOR-UHFFFAOYSA-N 284.384 3.975 30 20 CHED N#Cc1cc(F)ccc1COC(=O)[C@H]1CCCC(F)(F)C1 800279311 INYBTLXVSQNTPY-JTQLQIEISA-N 297.276 3.566 30 20 CHED C1CCC2(CC1)CCC(=NN[C@@H]1CCSC1)CC2 808001150 GLRACHHCCFIUPD-CQSZACIVSA-N 266.454 3.962 30 20 CHED CC[C@@](C)(C#N)c1nc(CCC2CCCCC2)no1 564235249 UOHWYKFVKSPYIU-HNNXBMFYSA-N 261.369 3.774 30 20 CHED Cc1cc(S[C@@H]2CCCCCC2=O)ccc1C#N 647143853 DQAQRGFOWGAPMI-OAHLLOKOSA-N 259.374 3.861 30 20 CHED CCOc1ccc(/C=C\c2ncccc2C#N)cc1 486052891 QBOIMXJALKXHEU-YFHOEESVSA-N 250.301 3.522 30 20 CHED Cc1ccc(CNCCC#N)c(O[C@@H](C)CC(C)C)c1 563882014 VFDGRDWVPANUMF-HNNXBMFYSA-N 274.408 3.812 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)cc1F 486751248 BYPVIOFILTYCLQ-GFCCVEGCSA-N 262.328 3.707 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCCC1(C)C 569540190 UCQGRQJHXONSBH-ZNMIVQPWSA-N 251.414 3.526 30 20 CHED N#Cc1c(F)cccc1SCc1ccc2c(c1)OCO2 480791648 TWNDQGDIWYDJCT-UHFFFAOYSA-N 287.315 3.718 30 20 CHED C#CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 810228922 OACIQHHEKIHLRY-VQTJNVASSA-N 286.378 3.900 30 20 CHED C=CCC(F)(F)C(=O)OCCSc1ccccc1 815310076 JSIOCUGVWWIHET-UHFFFAOYSA-N 272.316 3.533 30 20 CHED CC[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 481172481 IQHNSSZXAMCDLF-NVXWUHKLSA-N 259.368 3.736 30 20 CHED CC(=NNc1cccc(F)c1)c1cccc(CN(C)C)c1 814815361 VBOPAWIDKMIBGE-UHFFFAOYSA-N 285.366 3.723 30 20 CHED C=CC(C)(C)C(=O)N1CCC2(CCc3ccccc3C2)CC1 652524372 JQOYZSCPODQIMR-UHFFFAOYSA-N 297.442 3.996 30 20 CHED CC#CCCNC(=O)N[C@@H](CCC)CCc1ccccc1 483091361 SCJQTHUPUBPGEW-KRWDZBQOSA-N 286.419 3.501 30 20 CHED C=CCn1cccc1C(=O)Nc1cc([C@@H](C)CCC)[nH]n1 488770085 ZSVQKYZHTJUYLT-LBPRGKRZSA-N 286.379 3.553 30 20 CHED Cc1cccnc1NN=Cc1ncc(-c2ccccc2)s1 811649219 FJTPJKPCIFFUMU-UHFFFAOYSA-N 294.383 3.960 30 20 CHED C=CCCCC(=O)NCc1cc2ccccc2s1 489656308 VHGBZPPGNBPBGU-UHFFFAOYSA-N 259.374 3.874 30 20 CHED Cc1cc(C)c(NN=Cc2cnn(CC(F)F)c2)c(C)c1 814222720 TULWUDRHBBLXNU-UHFFFAOYSA-N 292.333 3.519 30 20 CHED C#CC[C@@H](Nc1nc(CCC)ns1)c1ccccc1 812462183 PLOMVAGMGNSIKF-CYBMUJFWSA-N 271.389 3.667 30 20 CHED N#Cc1cccnc1/C=C\c1ccc(OC(F)F)cc1 486057673 ZQOLFEBTBYSSSM-YVMONPNESA-N 272.254 3.725 30 20 CHED C=CCC1(NCc2cc(C)ccc2C)CCOCC1 657632356 GFPMNAOWZIGIPC-UHFFFAOYSA-N 259.393 3.518 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(Oc2ccccc2)nn1 489392637 AVQVZIADHOQHBG-MRXNPFEDSA-N 295.386 3.809 30 20 CHED CCc1ccccc1NN=Cc1c(Cl)nc(Cl)n1C 814802139 SVPNBNZHPGHDOV-UHFFFAOYSA-N 297.189 3.735 30 20 CHED C=CCC(C)(C)CNc1ncnc2c1cnn2C(C)(C)C 814369762 MSEKOPFKFRLQTG-UHFFFAOYSA-N 287.411 3.596 30 20 CHED C[C@H](C=NNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 814806091 PFHRCXXWRMIBLQ-LLVKDONJSA-N 276.340 3.604 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1Cc2ccccc2O1 482749965 MBXVVHRHDJBXHL-SFHVURJKSA-N 299.414 3.585 30 20 CHED C=CCCCCCCCNC(=O)N[C@H](C)c1cccnc1 811993471 MHINQYRRYAEBMO-OAHLLOKOSA-N 289.423 3.968 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ccccc1F 812459665 DEZPUYLRTBELIM-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C[C@H](NC(=O)C(C)(C)C#N)c1csc2ccccc12 729961691 QSGRGJSJEZVLDQ-JTQLQIEISA-N 272.373 3.628 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1oc(C(C)C)nc1C 813319546 LAAXKSXJRKGNJS-HNNXBMFYSA-N 265.353 3.752 30 20 CHED C=CCCC1(C(=O)N2CCCc3c(F)cc(F)cc32)CC1 483277705 LQOHKEGJKPAAJB-UHFFFAOYSA-N 291.341 3.990 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)N1CCC(CCC#N)CC1 574633948 MOKQODQLQXFALZ-HNNXBMFYSA-N 291.439 3.681 30 20 CHED CCCOc1ccccc1NC(=O)c1ccc(C#N)s1 486634474 XYHQRVNYMHYSBX-UHFFFAOYSA-N 286.356 3.661 30 20 CHED C=CCCn1cc(CN(C)[C@@H](c2ccccc2)C(C)C)nn1 653556074 MXOZRUQUHZWFBN-GOSISDBHSA-N 298.434 3.683 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 826861952 PCPVEQZFJAUWIV-KRWDZBQOSA-N 297.446 3.803 30 20 CHED CCCCCCC[C@@H](C)CNc1nccnc1C#N 726595893 WTOQEYAOEWKHNI-CYBMUJFWSA-N 260.385 3.757 30 20 CHED CC(C)(C)CCCC(=O)OCc1cc(C#N)ccc1F 729026078 KHYOBRNDYLOMGY-UHFFFAOYSA-N 277.339 3.957 30 20 CHED C#Cc1cccc(NC(=S)NCC[C@H]2C[C@H]3CC[C@H]2C3)c1 726467214 PMTMVDJXSYAZRE-JYJNAYRXSA-N 298.455 3.781 30 20 CHED COc1cccc2c1CC/C(=C\c1cccc(C#N)c1)C2=O 588618424 RQTAVWFMDGZTFK-RVDMUPIBSA-N 289.334 3.779 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 498105967 DNLTXFZXURLDPR-QLFBSQMISA-N 264.413 3.563 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(F)ccc2F)C1 664333471 OWBQAJDRANRSLB-NSHDSACASA-N 280.318 3.785 30 20 CHED C#CCCOc1ccc(-c2nc(-c3ccccc3)no2)cc1 904239393 POPMROCTBZHTLU-UHFFFAOYSA-N 290.322 3.806 30 20 CHED C=C(Br)COC(=O)C[C@H](C)c1ccccc1C 734909280 UESRMOMXUSPEAN-NSHDSACASA-N 297.192 3.940 30 20 CHED CC[C@H](N[C@H](C)C[C@@H](O)c1ccco1)c1cccc(C#N)c1 902847198 DSTUYBMETDSLGP-XOKHGSTOSA-N 298.386 3.704 30 20 CHED CCc1ccc(/C=C\C(=O)c2c(C)nn(C)c2C)s1 731158831 JXIKXLVYPLKQSS-HJWRWDBZSA-N 274.389 3.557 30 20 CHED C#Cc1ccc(NCc2coc(C(C)(C)C)n2)cc1 901517883 UYHPVPCGOKQRSZ-UHFFFAOYSA-N 254.333 3.566 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)c1ccc(CC)cc1 589898530 AUPCUXNKDXQWOR-AWEZNQCLSA-N 259.393 3.777 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CCC[C@@H](C(F)(F)C(=O)O)C1 902262411 IYMPPGFMDKXOOF-YNEHKIRRSA-N 289.366 3.600 30 20 CHED C=CCc1ccc(OC(=O)[C@H](C)C(C)C)c(OC)c1 733089446 HKQCCUITVVIEQJ-GFCCVEGCSA-N 262.349 3.621 30 20 CHED CCCCCCCCC(=O)O[C@@H](C)c1csnn1 836095565 JDKBYXZMGCKSIN-NSHDSACASA-N 270.398 3.893 30 20 CHED CC(C)c1ccc(N[C@@H](C(=O)O)c2ccc(C#N)cc2)cc1 736515082 FUPNJOSIMXVMTE-QGZVFWFLSA-N 294.354 3.919 30 20 CHED Cc1sc(C(=O)O)cc1CSc1ccc(C#N)cc1 833031213 HJJYZRFKSPPILS-UHFFFAOYSA-N 289.381 3.919 30 20 CHED O=C(C#CC1CC1)N[C@H](c1ccccc1)C1CCCCC1 837347528 WNSHFEJHXRCQLW-LJQANCHMSA-N 281.399 3.838 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1ccc(NC(=O)O)cc1 833373923 JCMKZPYEPWZSAF-LLVKDONJSA-N 277.320 3.678 30 20 CHED Clc1nccnc1NN=C(Cc1ccccc1)C1CC1 733077355 UTZYYCRXNHGFLM-UHFFFAOYSA-N 286.766 3.551 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1cccc(C#N)c1 736027316 BDIPSGKHYKSNSG-TYNCELHUSA-N 257.333 3.540 30 20 CHED CC/C(=C/C(=O)N[C@@H](CC)CC#N)c1ccc(C)cc1 588459247 TXPPWPBNFBQHJZ-HECSCLNYSA-N 270.376 3.597 30 20 CHED N#Cc1cccc(OCc2nc(C3CCCCC3)no2)c1 731793844 CSPSFIBTLFIFBS-UHFFFAOYSA-N 283.331 3.568 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)cn2)c1 584566278 VVFFBNXMFUDRGO-GOSISDBHSA-N 277.371 3.599 30 20 CHED C=CC[C@H]1N(Cc2cc(C(=O)O)c(C)o2)CCCC1(C)C 902546686 XTNMPSDBBUJFHW-OAHLLOKOSA-N 291.391 3.853 30 20 CHED CC[C@@H](NCC1CCSCC1)c1cccc(C#N)c1 902802641 PWIBKRQIKCDRHR-MRXNPFEDSA-N 274.433 3.742 30 20 CHED Cc1c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)oc2ccccc12 839044158 PKURICJOULZZEO-OLZOCXBDSA-N 283.327 3.980 30 20 CHED C=C(CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 672480110 VLFMWWACBJUCLZ-MSOLQXFVSA-N 295.357 3.759 30 20 CHED CCC(COC)=NNc1nc(Cl)c(Cl)cc1Cl 735970919 RWCJBSRYECOYHP-UHFFFAOYSA-N 296.585 3.866 30 20 CHED N#CC1(COC(=O)c2c(Cl)cccc2Cl)CCC1 837338163 KIBKQXXSJBQKTE-UHFFFAOYSA-N 284.142 3.844 30 20 CHED C#Cc1ccc([C@H](OC(=O)CCC=C)C(F)(F)F)cc1 836081460 VOODZRWINLOPGE-AWEZNQCLSA-N 282.261 3.781 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2ncc(Cl)n2C)cc1C 834408006 FYBKHAIOQXEOQL-WAYWQWQTSA-N 288.778 3.895 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 831051840 CUHNOTYSRUBWJT-UHFFFAOYSA-N 284.403 3.861 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc2c(c1)CCC2 837721895 KSIGDOYYIUKUDU-YVEFUNNKSA-N 271.360 3.719 30 20 CHED CCC(CC)=NNc1ccc(Cl)cc1[N+](=O)[O-] 915976340 RPDWBWRNZLSHCF-UHFFFAOYSA-N 255.705 3.836 30 20 CHED CC1(C)C[C@H](Nc2cc(C#N)ccn2)c2cc(F)ccc2O1 593494937 BWYFMRFKJUZJBK-AWEZNQCLSA-N 297.333 3.807 30 20 CHED CCCC[C@H](CC)CC(=O)N1CCC[C@@H](CC#N)C1 597909627 OMSBJWANFUAADV-GJZGRUSLSA-N 264.413 3.745 30 20 CHED C=C(CNC(=O)N[C@H](C)c1cccs1)c1ccccc1 672682637 LXYGANSSNZKQQR-CYBMUJFWSA-N 286.400 3.822 30 20 CHED C=CCCOC(=O)c1ccc(Oc2ccccc2)o1 748913777 VVQYVBXJNMAYDJ-UHFFFAOYSA-N 258.273 3.805 30 20 CHED CCN(C(=O)CCSc1ccc(C)c(C)c1)[C@H](C)C#N 598355333 ZUNRJZBNHUSECK-CQSZACIVSA-N 290.432 3.546 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccc([C@@H]2C[C@H]2C)o1 917557118 XXADBQRNTKDDIR-YXKOMOBRSA-N 285.343 3.736 30 20 CHED C=C(Br)COC(=O)[C@@H](c1ccccc1)C(C)C 745546834 DQHAKUBYUUZMSY-CYBMUJFWSA-N 297.192 3.878 30 20 CHED CC[C@@H](CC(F)F)Cn1cc(C#N)c2ccccc2c1=O 596314789 QHFPRHCTOHJLFU-NSHDSACASA-N 290.313 3.555 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(O)c1)CC2 741848142 LPSYNRVNYGKASP-NTEUORMPSA-N 280.323 3.613 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1-c1cc[nH]n1 911947145 WXQCNALDROEWDN-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CC[C@H]2CCC[C@H]2C1 742378985 QGPCCGHRBKYIQC-SOLBZPMBSA-N 283.415 3.757 30 20 CHED CCc1ccccc1C/N=C/c1cccc(OC)c1O 740616630 PGUDOGXTCIMMIU-LDADJPATSA-N 269.344 3.582 30 20 CHED N#CCCCCOC(=O)[C@H]1CCSc2ccccc21 744138591 AAHQMGHHKNJBCF-ZDUSSCGKSA-N 275.373 3.503 30 20 CHED CCc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1 45027413 BSVVNMJFBYITTF-UHFFFAOYSA-N 265.316 3.765 30 20 CHED CC(C)(C)c1ccc(C=NNc2ccccn2)cc1 916276234 RLHKGQIRBURMIR-UHFFFAOYSA-N 253.349 3.825 30 20 CHED N#Cc1cccc2c1CCN2C(=O)C1[C@H]2CCCCCC[C@H]12 597788749 NVLMFGJBDCQIKU-HOTGVXAUSA-N 294.398 3.664 30 20 CHED C=C(Cl)C[S@@](=O)[C@@H](C)c1ccc2c(c1)CCC2 841725456 KLSYDIBLSBUSDJ-APPDUMDISA-N 268.809 3.738 30 20 CHED CC[C@H](OCCSCCO[C@@H](C)C#N)c1ccccc1 844643895 CLALCPTVLZIBCZ-HOCLYGCPSA-N 293.432 3.816 30 20 CHED CCCCCC[C@H](C)NN=Cc1c(CC)nn(C)c1Cl 743450885 SMOJLWZBCJCVHV-LBPRGKRZSA-N 298.862 3.918 30 20 CHED CCCNN=C(C)c1cc(F)c(Cl)cc1Cl 915965822 PYEWBTILCIEBIE-UHFFFAOYSA-N 263.143 3.856 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCC[C@H]1CCOC1 840708686 DAGZOMXEXOPEHS-YQNUULROSA-N 283.371 3.781 30 20 CHED O=C(C#CC1CC1)Nc1ccccc1NC1CCCCC1 913946390 RZQXCJPMHBCYSN-UHFFFAOYSA-N 282.387 3.783 30 20 CHED N#CCC1(COC(=O)c2cnc(-c3ccccc3)s2)CC1 744279670 YMSKAZFANIWBGW-UHFFFAOYSA-N 298.367 3.661 30 20 CHED CCc1oc2ccccc2c1CC(=O)N(CC)C[C@H](C)C#N 599083149 JGKDHUOXBVBLFE-CYBMUJFWSA-N 298.386 3.546 30 20 CHED O=C1/C(=C\c2cccc(F)c2)Oc2ccc(F)cc21 749747078 UHOLBAPDVWUJDK-VGOFMYFVSA-N 258.223 3.581 30 20 CHED CNc1cccc(-c2ccc(C3(C#N)CCOCC3)cc2)c1 596640914 QFUQBVDYANSONS-UHFFFAOYSA-N 292.382 3.967 30 20 CHED Clc1ccc(NN=Cc2ccc3ncccc3c2)cn1 743450697 XWNOJNKLSNGKRB-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N(C)c2ccc(C#N)nc2)CC(C)(C)C1 593275068 YDFJKAOVWFVRNN-KGLIPLIRSA-N 299.418 3.769 30 20 CHED C#CCN(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 741805769 UYIAPIGCJJOWHS-OAHLLOKOSA-N 279.383 3.988 30 20 CHED C=CCCSCCNC(=O)c1ccc(Cl)c(F)c1 597968610 KBAKNOVYSVCENO-UHFFFAOYSA-N 287.787 3.518 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccccc1OC 743450929 UUFIDAQWFJLZOX-CQSZACIVSA-N 262.397 3.978 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1coc(C(C)(C)C)n1 841229102 UURCAQYPIIOCNO-HNNXBMFYSA-N 265.353 3.618 30 20 CHED CC(=NN=C(Cc1ccc(F)cc1)C(C)C)c1cnccn1 745200890 DJFFEXZWYGRHSA-UHFFFAOYSA-N 298.365 3.679 30 20 CHED CC[C@H](C#N)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 845284954 FMFWXMXQYIRLMH-RDBSUJKOSA-N 264.413 3.505 30 20 CHED COc1ccc(Cl)cc1C/N=C\c1ccccc1O 915981418 BJGTWZKTQQCHPC-MFOYZWKCSA-N 275.735 3.673 30 20 CHED Cc1ccccc1-c1nsc(N2CCC[C@H](CC#N)C2)n1 599098091 BNOYBZUUGVKCTL-CYBMUJFWSA-N 298.415 3.644 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 597258749 RHMBAJCMFPCVMM-KUZCPNRJSA-N 296.414 3.687 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2ccccc2n1C1CC1 682408548 JOXWTWFCKFYFPJ-QGZVFWFLSA-N 283.375 3.912 30 20 CHED CCCCCCCC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 741644452 DBAPZCGSUUUJSM-FVQBIDKESA-N 281.440 3.667 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)[C@@H]1CCOC1 741761412 CSAUUVHPQQXJDZ-SUMWQHHRSA-N 274.408 3.873 30 20 CHED C=CCSCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 747847844 YGFNVPLPBSJEFS-UHFFFAOYSA-N 298.473 3.677 30 20 CHED C=C[C@H](CC)CC(=O)N(CCC)Cc1ccc(C#N)cc1 929970897 JEFAETOTTGVKSF-OAHLLOKOSA-N 284.403 3.899 30 20 CHED CCCCOc1ccc(C(=O)/C=C/c2cc(C)n(C)n2)cc1 840719250 GVFPRGXDKPHKFI-DHZHZOJOSA-N 298.386 3.804 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccccc1C#N 755593010 LSOZPKNBIOOKOL-RMKNXTFCSA-N 265.287 3.902 30 20 CHED CC(C)(C)c1ccccc1C(=O)Nc1cc(C#N)ccc1O 759713941 SYENOZIZLALLMO-UHFFFAOYSA-N 294.354 3.814 30 20 CHED CC(C)Sc1ccccc1C(=O)N1CCC[C@@H](C#N)C1 928227326 YKBVGGCWTWXYTJ-ZDUSSCGKSA-N 288.416 3.563 30 20 CHED C=C(Cl)COc1ccc(C(C)=NOCC(F)F)cc1 758903185 BOENISFZSAMEAQ-UHFFFAOYSA-N 289.709 3.824 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCCCO1 920387524 QQVRMHTXKQXXNS-JRUYLCMPSA-N 288.174 3.687 30 20 CHED C#CC[C@@H](NC(=O)CCc1ccccc1)c1ccccc1 757595036 DLKOCNQBGDYUSC-GOSISDBHSA-N 277.367 3.500 30 20 CHED Fc1ccccc1-c1ccc(C=NO[C@H]2CCCCO2)o1 755813668 HEKYFIBYSFSEKJ-INIZCTEOSA-N 289.306 3.963 30 20 CHED CC(C)c1ccc(C=NOCC2(CC#N)CC2)cc1 853644123 DCMSEKWCHQCDAG-UHFFFAOYSA-N 256.349 3.854 30 20 CHED CC(=NOCC1CCC1)c1csc(C(C)C)n1 853439680 OIKKJINSRNWHJK-UHFFFAOYSA-N 252.383 3.807 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 754520231 NKJIBLGMFKANNL-WBVHZDCISA-N 284.403 3.575 30 20 CHED C[C@H](OC(=O)c1ccc(C2CC2)cc1)C(C)(C)C#N 850907362 ZXXILDPYCHMTHS-NSHDSACASA-N 257.333 3.659 30 20 CHED CC(C)Oc1ccccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851208970 ALAFQZWIBHDGJO-ZDUSSCGKSA-N 289.375 3.959 30 20 CHED Cc1cc(Br)ccc1NN=CC1CCOCC1 755700699 ZJJYNLGYUSJOSE-UHFFFAOYSA-N 297.196 3.582 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)N(CC)c1ccccc1 853783965 SGVPAAIYHVTLFR-LBPRGKRZSA-N 283.824 3.914 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@@](C)(C#N)CC)cc1 755275797 WNNWJWYEXFFYSA-BLLLJJGKSA-N 258.365 3.622 30 20 CHED O=C1/C(=C\c2cccc(F)c2)Cc2c(F)cc(F)cc21 751534144 BVOYQHGVPKHFIT-WMZJFQQLSA-N 274.241 3.926 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C/c1ccc(Cl)nc1 851208094 OAAXKLQHZLYDMS-OKPNEXGHSA-N 292.766 3.620 30 20 CHED CCCCCCCC(=O)Nc1cccc(-c2cnn[nH]2)c1 753724087 FTMFWFZESMMUPM-UHFFFAOYSA-N 286.379 3.771 30 20 CHED C#CC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C 754003963 SZGYWIAQDRNHAT-UHFFFAOYSA-N 299.757 3.799 30 20 CHED Clc1cccc(C#CCN[C@H](c2ccccn2)C2CC2)c1 932384159 PTHJVNHUYAOCBR-SFHVURJKSA-N 296.801 3.827 30 20 CHED C=C[C@@H](CC)CC(=O)NCCc1ccccc1OC(F)F 935589047 NBPOHJVHWKFJKS-LBPRGKRZSA-N 297.345 3.549 30 20 CHED Cc1ccc(NN=C2C[C@@H](c3ccccc3)C2(C)C)nn1 768486120 XSIPSKWXDWWOQT-AWEZNQCLSA-N 280.375 3.767 30 20 CHED C=CCN(Cn1nc(Cl)c2ccccc21)C(C)C 769646029 AKSASILECVXBJG-UHFFFAOYSA-N 263.772 3.544 30 20 CHED C#CCC(C)(C)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 767097170 NMKVEJVKJZQARQ-LBPRGKRZSA-N 287.407 3.720 30 20 CHED Cc1ccc2c(c1)OCCCC2=NNc1ccc(C#N)cc1 763164245 BZTYYFFLFSHJLM-UHFFFAOYSA-N 291.354 3.856 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccccc1O 761478352 DQINJWHEKWFRDS-ALCCZGGFSA-N 294.137 3.990 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc2c1OCC[C@H]2OC 935728180 BKGNJLHFLVXMSJ-SWLSCSKDSA-N 289.375 3.697 30 20 CHED CC1CC(C#N)(C(=O)O[C@@H](C)c2cc(F)ccc2F)C1 767431234 OWWTXONGWVGZKT-VOZQYIJBSA-N 279.286 3.509 30 20 CHED C[C@]1(C(=O)OCc2cc(C#N)ccc2F)C[C@H]2CC[C@H]1C2 860188567 VJSRMCABRZHDAN-YLVFBTJISA-N 287.334 3.567 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc2c(c1)COC2 769335625 PKFRLTMGXLRPLT-UHFFFAOYSA-N 286.419 3.869 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCCCC(C)C)cc1 762194904 UIWLKOSSFKUGDP-UHFFFAOYSA-N 276.380 3.822 30 20 CHED CC(CC1CCC1)=NNc1ccnc(Br)c1 769811850 CTCIPHORWWSAMF-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CCc1noc(C)c1C(C)=NNc1cccc(C)c1 769794788 HNXIPOVDCJAUDX-UHFFFAOYSA-N 257.337 3.690 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccc([N+](=O)[O-])cc2)C1 768358795 YSDASFIITJKZRJ-VXGBXAGGSA-N 261.325 3.819 30 20 CHED N#Cc1cccc(NN=Cc2cccc(Cl)c2)c1 767335140 ACZADGLLPLWNOV-UHFFFAOYSA-N 255.708 3.658 30 20 CHED CC(C)CN(CCC#N)CCOc1ccc(F)cc1Cl 769911868 CLTXYMCCJBBZCC-UHFFFAOYSA-N 298.789 3.730 30 20 CHED Fc1cc(F)cc(NN=Cc2ccn(-c3ccccc3)n2)c1 766694828 GKMJCQMDNSIBMM-UHFFFAOYSA-N 298.296 3.597 30 20 CHED Clc1cccc(Cl)c1NN=CC[C@@H]1CCOC1 765583575 JTPZMXFZPPUVRZ-SECBINFHSA-N 273.163 3.818 30 20 CHED Cn1cc(C(=O)/C=C\c2c(Cl)oc3ccccc23)cn1 761199220 INKQRRYORZWYGU-SREVYHEPSA-N 286.718 3.716 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1[nH]c2ccccc2c1Cl 765630184 LOEAONIKPLOWHK-NSHDSACASA-N 290.750 3.916 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C#N)c(C)c2)ccc1O 766489802 GOBXMQSWVACJOF-QPJJXVBHSA-N 277.323 3.777 30 20 CHED CC(C)CC(=NNc1ccc(C(=O)O)cc1)c1ccccn1 760217573 HBAPMWRBONLDOL-UHFFFAOYSA-N 297.358 3.642 30 20 CHED CCC(=NNCC(F)(F)F)c1ccc(Cl)s1 769816391 ZRSGVNXQCQXLPS-UHFFFAOYSA-N 270.707 3.668 30 20 CHED N#CCc1cccc(N[C@H](c2ccccc2)C2CC2)n1 1116735247 QWPNIKXDVIROIT-QGZVFWFLSA-N 263.344 3.711 30 20 CHED Cc1ccc(C=NNc2ccc3[nH]ncc3c2)c(C)c1 779816508 LHHPUZBLFGEHBH-UHFFFAOYSA-N 264.332 3.626 30 20 CHED CCC[C@@H](C)N(C)CC[C@](C#N)(C(C)=O)c1ccccc1 877953411 MHSPPDAVVUUFLG-QAPCUYQASA-N 286.419 3.547 30 20 CHED CCNc1ccc(C#N)cc1NCc1cnc(Cl)s1 776849997 OPKWYKLWAQUZJL-UHFFFAOYSA-N 292.795 3.712 30 20 CHED Cc1ccc(OCc2ccc(C#N)cc2C)c(Cl)n1 777544055 CSUSPZQKHWLJKJ-UHFFFAOYSA-N 272.735 3.803 30 20 CHED C#CC[C@H](N[C@@H](C)CCc1ccco1)c1ccccc1 773105656 IILOHUBQWIRXAE-YJBOKZPZSA-N 267.372 3.955 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@@H]1C1CCCCC1 779920446 JIIZETIDYWMWAS-CVEARBPZSA-N 261.409 3.655 30 20 CHED CCCCCCCCCC(=O)Nc1ncc(C)[nH]1 771037335 MZWLYABSYMSRLM-UHFFFAOYSA-N 251.374 3.797 30 20 CHED CC[C@H](CNc1cccc(CC#N)n1)c1ccccc1 771755975 BIRBUAVWTSHJHQ-CQSZACIVSA-N 265.360 3.753 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccccc1C 777907572 YGPJXNCOILRBTH-UHFFFAOYSA-N 259.740 3.880 30 20 CHED COc1cccc(NN=C(C)c2coc3ccccc23)n1 779819977 ZELXYZAOTUNWHB-UHFFFAOYSA-N 281.315 3.673 30 20 CHED C=CCCC[C@@H](C)NC(=S)N[C@H](C)c1ccccc1 776203664 RJOIYVMZANQYMI-ZIAGYGMSSA-N 276.449 3.957 30 20 CHED C=CC[C@H](C(=O)Oc1ccc(OC)cc1)c1ccccc1 777404272 XSPZEVWZQOBWOS-KRWDZBQOSA-N 282.339 3.961 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1CCO[C@H]1C 770694797 SOYRRCXWCUSTOV-LSDHHAIUSA-N 269.429 3.620 30 20 CHED C[C@@H](CCCC(F)(F)F)NCc1cc(C#N)ccc1F 775525244 FJBCOWBKIRYSDS-JTQLQIEISA-N 288.288 3.908 30 20 CHED N#CCc1ccc(COC(=O)C2=CCCCCC2)cc1 774295397 ZJBPPQIEHSPYBT-UHFFFAOYSA-N 269.344 3.686 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1ccnc(Cl)c1 779459644 FLMOXKRUFDELSE-SNAWJCMRSA-N 261.683 3.770 30 20 CHED C#CCOc1cc(F)ccc1NCc1c(F)cccc1F 770404941 USINAHVCRXEAEI-UHFFFAOYSA-N 291.272 3.728 30 20 CHED CC(C)Cc1ccc(CCC(=O)OCC2(C#N)CC2)cc1 775873564 HJQFTNYKJNGCJA-UHFFFAOYSA-N 285.387 3.665 30 20 CHED C=CCC[C@@H](C(=O)N1C[C@H]2C=C[C@H]1C2)c1ccccc1 882424213 GEFZUWHMVAIXND-BHYGNILZSA-N 267.372 3.523 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC[C@@H](CF)C3)c2c1 882803361 MXUTXZLPOQXGMJ-ZDUSSCGKSA-N 283.350 3.601 30 20 CHED C=CC[C@H]1N(C(=O)Nc2conc2C)CCCC1(C)C 888731638 JAMILOZFQLRBMA-CYBMUJFWSA-N 277.368 3.582 30 20 CHED C=C(C)CCC(=O)Nc1ccc2c(c1)C(=O)CCC2 1120704957 QCQKXOBFVMSAEX-UHFFFAOYSA-N 257.333 3.500 30 20 CHED Cc1cc(COC(=O)/C=C\c2ccccc2F)ccc1C#N 782346848 FDKLLNZZAMDWHY-HJWRWDBZSA-N 295.313 3.762 30 20 CHED CC(C)(CCC#N)CNCc1ccccc1OCC(F)F 886116457 IRTQGZCAMBYAEB-UHFFFAOYSA-N 296.361 3.750 30 20 CHED C=C(C)COC(=O)c1ncsc1-c1ccccc1 782383742 FIWPBBRQIXOKGZ-UHFFFAOYSA-N 259.330 3.543 30 20 CHED COCC(=NN[C@H](C)c1ccccc1)C1CCCC1 780212585 JGTWMRXWWWIPRY-CYBMUJFWSA-N 260.381 3.530 30 20 CHED C#CCCCCCC(=O)Nc1cc(CSCC)ccn1 780014612 ZQDCFGZGMJFNMM-UHFFFAOYSA-N 290.432 3.857 30 20 CHED CCn1cc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)c(C)n1 899367155 WRCMBMQJGIELPZ-ADFUCPMPSA-N 292.382 3.911 30 20 CHED CC1CCC(=CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 786368047 IPLRNENOYHRYRK-PQJIZZRHSA-N 294.398 3.798 30 20 CHED C#CCC1(C(=O)Nc2nc(CC)cs2)CCCCC1 788447136 VINLMBAHBIYGFA-UHFFFAOYSA-N 276.405 3.618 30 20 CHED C[C@@H](CC1CCC1)Nc1ccccc1O[C@@H](C)C#N 780744320 LIAPTNXVMMYONU-STQMWFEESA-N 258.365 3.968 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCCCC1)c1ccc(Cl)cn1 781711170 DJDAIEOVQLENKJ-LLVKDONJSA-N 292.766 3.813 30 20 CHED Cc1ccc(Oc2ccc(NC(=O)CC#N)cc2)cc1 83483876 ZFRDXBNSSZKZQX-UHFFFAOYSA-N 266.300 3.640 30 20 CHED CC(/C=C/C(=O)c1cccnc1)=C\c1cccc([N+](=O)[O-])c1 787166481 AVVYFVZNEQUGKF-AWGJLQHSSA-N 294.310 3.832 30 20 CHED C#CC[C@@H](OC(=O)/C=C\c1ccccc1C#N)C(C)(C)C 781557029 JYSLNTJGMDCGDR-YUQCYMQKSA-N 281.355 3.553 30 20 CHED COc1cc(C=NNCCC(C)(C)C)cc(Cl)c1OC 782908691 YOHCKTWCZGIXKV-UHFFFAOYSA-N 298.814 3.717 30 20 CHED COc1ccc(NN=Cc2ccc(Cl)cc2Cl)nc1 780269029 OXEPZXZGCYLXFB-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C=CCOc1ccc(Cc2nc(CCCCF)no2)cc1 897203515 WVUKQIHEXLOPRM-UHFFFAOYSA-N 290.338 3.517 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(O)c2)c(Cl)c1 788358094 DODYEFWPLAOLQH-ALCCZGGFSA-N 283.714 3.813 30 20 CHED CCCCCCC[S@@](=O)c1c(OC)cccc1OC 788293873 YSLLPJRZWJXOBJ-LJQANCHMSA-N 284.421 3.782 30 20 CHED Cc1cccnc1NN=C(Cc1ccccc1)C1CC1 790192823 FWAAZBMYNWSYGQ-UHFFFAOYSA-N 265.360 3.811 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(Cl)cc1 796455971 VZEFCYCWLMLQTP-UHFFFAOYSA-N 252.741 3.986 30 20 CHED O=C(/C=C/c1cccc(Cl)c1)c1ccnc(F)c1 794721046 VLGKRVCIDXUSFP-SNAWJCMRSA-N 261.683 3.770 30 20 CHED C#Cc1cccc(NCC[C@H]2CC2(Cl)Cl)c1 399370771 RZYBXFVMBZOTMR-NSHDSACASA-N 254.160 3.664 30 20 CHED Fc1cccnc1NN=C(CC(F)(F)F)c1ccccc1 794985092 PTUZDTJDSVKONQ-UHFFFAOYSA-N 297.255 3.989 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)c1ccco1 797405036 UMTFAMVKNVHYFJ-UHFFFAOYSA-N 278.743 3.683 30 20 CHED C#C[C@H](CCC)NC(=O)CCCCCc1cccs1 791200251 PHKPYAYJAURATH-CQSZACIVSA-N 277.433 3.769 30 20 CHED C[C@@H](NN=Cc1cn(C)c2ccc(F)cc12)C(C)(C)C 793113729 CAOSVBVDBMDOAA-LLVKDONJSA-N 275.371 3.676 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1132213913 WAEMGGNALLDDJS-TZMCWYRMSA-N 290.794 3.857 30 20 CHED CSc1cccc(NC(=O)c2ccc(C)c(C#N)c2)c1 799292708 LROFMKLKYDHCEZ-UHFFFAOYSA-N 282.368 3.841 30 20 CHED CC[C@H](C)NN=C(C)[C@@H](C)c1ccc(OC)c(OC)c1 794535859 QJBGSYHMOLHXKA-NWDGAFQWSA-N 278.396 3.571 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C/c1nc2ccccc2s1 798551097 LWTLHXQORRAHOX-HCRIHEDKSA-N 286.400 3.780 30 20 CHED N#Cc1ccc(CN[C@@H](C2CCCC2)C2CC2)c(F)c1 590777882 WBEKMFLZAQISIA-KRWDZBQOSA-N 272.367 3.756 30 20 CHED C#CC(C)(C)N(C)Cc1csc(-c2cccs2)n1 787997997 VCRFQGDKZPFEPG-UHFFFAOYSA-N 276.430 3.715 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1CC1(CC#N)CC1 1307804164 ZQWPKONCWTVPEX-HLLBOEOZSA-N 268.404 3.947 30 20 CHED Cc1cccc(C)c1CNc1snc(C)c1C#N 804559321 UYSMGYDGHYROPU-UHFFFAOYSA-N 257.362 3.552 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1c[nH]nc1C(C)(C)C)C2=O 1318026742 DLEKSSYBEJCWOW-LCYFTJDESA-N 280.371 3.838 30 20 CHED CC(C)(F)CCNc1c(Br)cccc1C#N 1640133907 MKMMKMKFXCXSEH-UHFFFAOYSA-N 285.160 3.871 30 20 CHED CCC[C@@H](NC(=O)c1csc(C#N)c1)C(C)(C)C 1324805308 AXLANBAEEJOCKM-GFCCVEGCSA-N 264.394 3.564 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1ccnc(C)n1 1326317883 HVTYFPPHRVBFBK-UHFFFAOYSA-N 294.280 3.640 30 20 CHED Cc1ccc(NN=Cc2cncn2C(C)C)cc1Cl 1329158522 UJDABCBCEYKSSP-UHFFFAOYSA-N 276.771 3.872 30 20 CHED COc1cc(COC(=O)c2cccc(C#N)c2C)ccc1C 1321259005 MLODGVSNKVIGEK-UHFFFAOYSA-N 295.338 3.541 30 20 CHED C=C(C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 1336963305 LFWKRZQBFKPOLS-UHFFFAOYSA-N 286.419 3.600 30 20 CHED CC1(C)C(=NNc2ccc(C#N)cn2)C[C@@H]1c1ccccc1 1333669416 CJJHBKZNPZTDLH-OAHLLOKOSA-N 290.370 3.935 30 20 CHED C=C(C)CCC(=O)Nc1ccc(F)cc1OC(F)F 1262733959 IJWIDUNMVLOMPG-UHFFFAOYSA-N 273.254 3.722 30 20 CHED C[C@@H]1CC/C(=C\C(=O)O[C@H](CC#N)c2ccco2)C1 1347949047 PSLDMMMBUWWOHS-UMEZHTNUSA-N 259.305 3.524 30 20 CHED Cc1cccc(NC(=O)[C@@H](CC#N)c2ccccc2)c1 1348137960 MIQFENYBHDCLMW-INIZCTEOSA-N 264.328 3.631 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1F)C1CCCCC1 1359882941 JRTUIMMCHAIGAP-MRXNPFEDSA-N 288.366 3.786 30 20 CHED Cc1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)ccc1F 1443214947 NGCXWCWOBYOPLW-UHFFFAOYSA-N 290.244 3.536 30 20 CHED COc1ccc(Cl)cc1COc1ccc(C#N)cc1F 225240625 CEUCTKOKFMSDNW-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C[C@@H](OC(=O)[C@@H]1CC2CCC1CC2)c1cccc(C#N)c1 1457757725 HEXDDXCGOMLKHF-ZHOLYQSMSA-N 283.371 3.989 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCc1ccc(C#N)cc1 1459512343 GTROBXLBAXPUFO-JLSDUUJJSA-N 268.404 3.754 30 20 CHED CCc1c[nH]c2ncnc(N[C@H](C)c3cccc(C#N)c3)c12 1458588913 FUTSIWOOCZJWLY-LLVKDONJSA-N 291.358 3.565 30 20 CHED C=C(CC)CSc1c(Cl)cccc1-c1nn[nH]n1 1602768157 TTZIYOKOADLGHH-UHFFFAOYSA-N 280.784 3.578 30 20 CHED Cc1cccc(N(C)C(=O)Nc2ccc(F)c(C#N)c2)c1 1476096788 FTZBHUZRTJEDPZ-UHFFFAOYSA-N 283.306 3.674 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccsc2C#N)[C@H](C)C1 1532098969 ZNOIPGNJMSWJLI-FOGDFJRCSA-N 263.362 3.601 30 20 CHED Cc1ccc(CCNc2nc(C)c(C#N)cc2Cl)cc1 1472695054 FNJXBBYTKKPCJJ-UHFFFAOYSA-N 285.778 3.878 30 20 CHED CC(C)C1(C)CCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 1556276236 RPOVVOXFMFSXMX-QGZVFWFLSA-N 298.430 3.969 30 20 CHED Cc1cc(Sc2ccc(Cl)c(C#N)n2)ccc1C#N 1642833862 XCLIOSFMSZEUAO-UHFFFAOYSA-N 285.759 3.938 30 20 CHED Cc1cc(=NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C#N)c[nH]1 1642172844 UZMXCBNKZACGLK-QRTARXTBSA-N 285.435 3.804 30 20 CHED COc1cc(OCc2nsc3ccccc23)ccc1C#N 1651953794 RDDFONCMHODONS-UHFFFAOYSA-N 296.351 3.756 30 20 CHED Cc1ccc(CCNc2ncc(Cl)c(C)c2C#N)cc1 1650755131 JRGZDLCERABWIT-UHFFFAOYSA-N 285.778 3.878 30 20 CHED Cc1cc(C)c(CNc2n[nH]c(C3CC3)c2C#N)cc1C 1662615685 YDCXPTNYCGCADY-UHFFFAOYSA-N 280.375 3.696 30 20 CHED Cc1cccc(C)c1CNC(=O)Nc1cc(F)cc(C#N)c1 1679885359 OQKVRMCEBRIUMI-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)[C@@H](C)CC(C)C 1776076674 AUOQOXGLHWWUGC-JTQLQIEISA-N 280.343 3.994 30 20 CHED Cc1ccccc1/C=C\C(=O)c1cc(C(=O)O)ccc1C 1777469498 HPLVCHXHDWPPRO-KTKRTIGZSA-N 280.323 3.898 30 20 CHED CC1(C)CCC[C@H](C=NNc2ccccc2C(=O)O)C1 1776030354 QCXXRVHNQDZICL-LBPRGKRZSA-N 274.364 3.999 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1OC 16702036 LKCUHIHUMFWXHN-UHFFFAOYSA-N 297.354 3.821 30 20 CHED CCCCCNC(=O)N[C@H](CCC#N)c1ccccc1 158964805 WOZUHNDKVSJFPN-OAHLLOKOSA-N 273.380 3.521 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCc1ccc(C#N)cc1 160877267 PRIWCIYSLSPYSU-MSOLQXFVSA-N 298.430 3.918 30 20 CHED N#CCC[C@@H](Nc1cccc(F)n1)c1ccccc1 164327327 LTZGMFCYKXNIQI-CYBMUJFWSA-N 255.296 3.678 30 20 CHED C=C(C)CNC(=O)c1cc(Cl)ccc1SCC 153047942 NQJTXBMFYDXKSP-UHFFFAOYSA-N 269.797 3.758 30 20 CHED C=CCN(C)C(=O)NCC1(c2cccs2)CCCCC1 155059913 UDHCGUGBQYCILG-UHFFFAOYSA-N 292.448 3.777 30 20 CHED CC(C)(C)SCCCC(=O)Nc1ccc(F)cc1C#N 157246454 BJDWLWWOJJTIAZ-UHFFFAOYSA-N 294.395 3.948 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(C#N)cc1 156407763 IJMCKMGBALUCHZ-LLVKDONJSA-N 292.298 3.511 30 20 CHED N#Cc1cccnc1N[C@@H]1C[C@H]1c1c(F)cccc1Cl 156689509 XYGJCIFXNWXQAR-ZWNOBZJWSA-N 287.725 3.714 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CSc2ccccc21 209954005 MTMWTWKIDJHWGR-WQLSENKSSA-N 268.337 3.764 30 20 CHED CCOc1cc(C#N)ccc1OCCCc1ccccc1 11832809 NTVBEJPJBAPGRY-UHFFFAOYSA-N 281.355 3.969 30 20 CHED CCc1cc2c(SCCC#N)nc(C)nc2s1 31944849 HVUMVJFQEBDCSL-UHFFFAOYSA-N 263.391 3.568 30 20 CHED CCSc1ccc(CNc2nccc(C)c2C#N)cc1 1187454619 NCTYDRIHULREDV-UHFFFAOYSA-N 283.400 3.986 30 20 CHED CC(C)(CCC#N)CNc1ccc(-n2cccn2)cc1 155914716 CGWXDXKQZMVDCG-UHFFFAOYSA-N 268.364 3.614 30 20 CHED CC[C@H](C)CN(C)c1c(C#N)cnc2ccccc12 36913324 IBAUCPNBJCHAPN-LBPRGKRZSA-N 253.349 3.589 30 20 CHED CC(=O)c1cccc(OCc2ccc(C#N)cc2Cl)c1 163121058 GUHUGQRFKLSMHS-UHFFFAOYSA-N 285.730 3.993 30 20 CHED COc1cccc(CNc2cc(C#N)ccc2C)c1F 165840059 WBMXUCMSEQAZQU-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(OC)c(OC)c1 281582240 LCWQDDGROZDCHR-OCCSQVGLSA-N 263.381 3.709 30 20 CHED CC[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N 47873435 LHNJQHDFWRAADQ-BXUZGUMPSA-N 273.336 3.847 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC1CC(c2ccccc2Cl)C1 61891941 NZCCXMHCYNJBQF-ITDKRANNSA-N 274.795 3.868 30 20 CHED N#Cc1c(Br)cccc1N1CC[C@@H](C2CC2)C1 400104267 CQJSRTKXWVIPJS-LLVKDONJSA-N 291.192 3.557 30 20 CHED CCc1cc(NCc2ccc(C#N)cc2)ccc1F 506311943 YXJVRPRDJHCODK-UHFFFAOYSA-N 254.308 3.872 30 20 CHED Cc1cc(CNC2(C(F)F)CCCCC2)ccc1C#N 510117503 GCZZRICREWZDOP-UHFFFAOYSA-N 278.346 3.924 30 20 CHED CCc1cccc(Oc2ncc(C#N)cc2Cl)c1 513610652 YFSZMHRZNBFIGJ-UHFFFAOYSA-N 258.708 3.961 30 20 CHED CC1(C(=O)Nc2cccc(CC#N)c2)CCCCC1 313455773 AOGDXEDVLOYMAS-UHFFFAOYSA-N 256.349 3.662 30 20 CHED Cc1ccc(C#N)c(N2CCC(C3CCCC3)CC2)n1 611227601 IWKNOVXZOVYELL-UHFFFAOYSA-N 269.392 3.668 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2C2CC2)c(Cl)c1 615224351 LISWVLRKWZOLFQ-OAHLLOKOSA-N 260.768 3.586 30 20 CHED CCC[C@H]1CCC[C@H]1NCCc1cccc(C#N)c1 467445922 MQJPCRQRUPIZQS-DLBZAZTESA-N 256.393 3.659 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1ccc(Cl)cc1C#N 702261305 CMOULIBQUVGITE-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1cc(N[C@@H]2CC23CCCCC3)ccc1[N+](=O)[O-] 386990941 FPWYHDXWIQHVEI-CQSZACIVSA-N 271.320 3.601 30 20 CHED CC[C@@H](C)[C@H](CNc1ccc(Cl)cc1C#N)OC 394456814 JODMODPAQGHUFN-YGRLFVJLSA-N 266.772 3.685 30 20 CHED C=CCOC(=O)c1oc2ccc(Br)cc2c1C 916593874 MOUATLSGRJYWFA-UHFFFAOYSA-N 295.132 3.847 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccccc1C(C)C 105168764 GKBUFSQCCBAJPB-UHFFFAOYSA-N 274.408 3.647 30 20 CHED C=CCCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 102216285 NYNMYVQNUZXQCP-UHFFFAOYSA-N 294.326 3.993 30 20 CHED C=CCOc1ccc(OC(=O)CC[C@H]2CC[C@@H](C)O2)cc1 174755323 UNERYKIAQPFRCF-UKRRQHHQSA-N 290.359 3.505 30 20 CHED C=CC1CCN(C(=O)c2cc3ccc(OCC)cc3[nH]2)CC1 110968815 FYSYTNOJBLPHSA-UHFFFAOYSA-N 298.386 3.605 30 20 CHED N#CCCCOC(=O)c1ccccc1Oc1ccccc1 58817586 CUDIRGQIIOYJQJ-UHFFFAOYSA-N 281.311 3.939 30 20 CHED CCCCCCCCCN1CC[C@@](C)(C(=O)O)C1 109204477 VCORVYAVTKINRS-OAHLLOKOSA-N 255.402 3.534 30 20 CHED Cc1cc(C)c(CNCc2ccc(C#N)cc2F)c(C)c1 105642865 RJMFVYLYNXKDEX-UHFFFAOYSA-N 282.362 3.912 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccccc1 20085300 GMRULPMKBRYYPB-OAHLLOKOSA-N 265.356 3.549 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)Cc1cccc(F)c1 178376760 DXAPRBBWQCRXJQ-LBPRGKRZSA-N 296.345 3.823 30 20 CHED N#CCCCSc1nnc(-c2cccs2)n1C1CC1 57794612 QUCQOAGAQJGDMQ-UHFFFAOYSA-N 290.417 3.737 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](CC)c2ccccc2)c1 103032721 KRKSTLUDZLGUIR-SFHVURJKSA-N 277.367 3.825 30 20 CHED CCCN(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 108532564 JGDSWXRDBYQMDC-GFCCVEGCSA-N 291.420 3.812 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCCC1 57509488 XRYUWHBGPXXYEJ-UHFFFAOYSA-N 293.750 3.706 30 20 CHED N#Cc1ccc(OCCN2CCC[C@@H]2c2cccs2)cc1 61781246 CSZYJOOPZNHBGX-MRXNPFEDSA-N 298.411 3.836 30 20 CHED C=CCS[C@H](C)c1nc(Cc2ccccc2)no1 173825903 UKURSSHICOAPID-LLVKDONJSA-N 260.362 3.641 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccc(F)cc1 20095927 SMXBTSFVPDVGTM-CQSZACIVSA-N 283.346 3.689 30 20 CHED C=CC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 302291369 NHTWYCMWMUPSQT-UHFFFAOYSA-N 280.293 3.979 30 20 CHED N#CCN(C(=O)c1coc2ccccc12)c1ccccc1 172003476 FNMJYXDTPAIGQG-UHFFFAOYSA-N 276.295 3.603 30 20 CHED N#CCCCNC1(Cc2ccccc2)CCCCC1 185461268 FJIHOUHSRVXQQW-UHFFFAOYSA-N 256.393 3.825 30 20 CHED C=CCCCC(=O)N[C@H](C)c1cc(C)sc1C 175257810 XIVYCFWOGQPEBQ-LLVKDONJSA-N 251.395 3.898 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(CC#N)c1 176915828 VWJMVKVTAYSRJD-RDJZCZTQSA-N 284.403 3.793 30 20 CHED N#Cc1cccc(NCc2ccc3ccccc3c2)n1 301272401 KQJNBQGEUCRQCS-UHFFFAOYSA-N 259.312 3.719 30 20 CHED CCc1nc(CCNc2ccc(C#N)cc2F)sc1C 301150624 OOKIRLZUMJECIO-UHFFFAOYSA-N 289.379 3.679 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)cc1 175751838 CDRXSGNIGIJEOR-RDTXWAMCSA-N 290.366 3.576 30 20 CHED CCCCCCCCCNC(=O)C1CCN(C(C)C)CC1 173843065 NMFDWWLLFMUMPY-UHFFFAOYSA-N 296.499 3.974 30 20 CHED C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(C#N)c1 301301272 RGXGUZJJAJCWRO-NSHDSACASA-N 292.298 3.511 30 20 CHED C=CCNC(=O)Nc1ccc(NC[C@@H]2CC=CCC2)cc1 123044822 CLTKJEURDGPFJQ-CQSZACIVSA-N 285.391 3.762 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2CCc2ccccc2)cn1 301536566 UFCCFFYBMYKIAA-QGZVFWFLSA-N 277.371 3.555 30 20 CHED CCCCn1ncc(Nc2cc(C#N)ccc2[N+](=O)[O-])c1C 302202525 IJQRVWORQKHALD-UHFFFAOYSA-N 299.334 3.515 30 20 CHED N#Cc1ccc(CNCc2ccc(F)cc2C(F)(F)F)o1 174270222 SOQFSAALNSDSBN-UHFFFAOYSA-N 298.239 3.599 30 20 CHED COc1ccc(C#N)cc1CNC1(c2ccccc2)CCC1 178498363 ALUXHTMDHOKKHP-UHFFFAOYSA-N 292.382 3.736 30 20 CHED CN(C)CC(C)(C)CNc1ccc(C#N)cc1C(F)(F)F 301355120 XUJPYKSTKVJXFL-UHFFFAOYSA-N 299.340 3.577 30 20 CHED C[C@@H](OC(=O)[C@H](C)c1ccccc1)c1ccc(C#N)cc1 126675449 MPIMWZMTJFNLCO-ZIAGYGMSSA-N 279.339 3.966 30 20 CHED C=CCC[C@H](C(=O)NCCSCC=C)c1ccccc1 189035046 FPBWWXFZGXHWSO-INIZCTEOSA-N 289.444 3.772 30 20 CHED Cc1nc(C)c(CCN[C@@H](C)c2cccc(C#N)c2)s1 181727456 RPYJVXMURUIPLI-NSHDSACASA-N 285.416 3.525 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 187986183 YMDPSNPTHVJHND-NHYWBVRUSA-N 294.345 3.846 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCCC(F)(F)C1 507880637 QIWWTEVVOJXDGH-OLZOCXBDSA-N 286.366 3.562 30 20 CHED CC[C@@H](C)N(C(=O)c1cccc(CC#N)c1)[C@H](C)CC 180514698 BCUGYBQLMKDMQV-ZIAGYGMSSA-N 272.392 3.792 30 20 CHED N#CCCN(Cc1cccnc1)C(=O)CCC1CCCCC1 71797508 WEEVSDINWHXBQF-UHFFFAOYSA-N 299.418 3.684 30 20 CHED CN(Cc1ccc(F)cc1C#N)[C@@H]1CCC(C)(C)C1 361468333 GFXYJOWJODKQAC-OAHLLOKOSA-N 260.356 3.708 30 20 CHED CC#CCCCC(=O)N(CC)Cc1ccccc1C 185060970 WDDYJKVLPABXOZ-UHFFFAOYSA-N 257.377 3.537 30 20 CHED Cc1cccc2c(NCCC(F)(F)F)c(C#N)cnc12 78591775 ILRFPZNLFKZPFJ-UHFFFAOYSA-N 279.265 3.779 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C[C@H](C)C1 128843286 QGPRWIYCWUOZQN-VXGBXAGGSA-N 289.354 3.597 30 20 CHED C=C(C)[C@@H](NC(=O)CO[C@@H](C)CC)c1ccc(F)c(F)c1 186081806 BAOJYCVQYFMMKK-MEDUHNTESA-N 297.345 3.513 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 508249886 SRRFUYVKRLGTGK-GOEBONIOSA-N 285.391 3.895 30 20 CHED CC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(OC)cc1 185753725 NWPPFTNKSGQZKA-YSVLISHTSA-N 272.392 3.818 30 20 CHED C=C(C)CNC(=O)c1sc2cccc(F)c2c1C 123086699 BNEOQWMTSLLZJK-UHFFFAOYSA-N 263.337 3.655 30 20 CHED CC[C@@H](CC#N)NC(=O)C(C)(C)Cc1cccc(Cl)c1 183859543 OEMDJHYAHPOETB-AWEZNQCLSA-N 292.810 3.717 30 20 CHED N#CC1(CCn2cc([N+](=O)[O-])c(C3CC3)n2)CCCCC1 413002005 FFTZNQHUIDOEJM-UHFFFAOYSA-N 288.351 3.533 30 20 CHED CO[C@H](CSCCCCC#N)Cc1ccccc1 419524312 BVEDTWDDOCZSDY-HNNXBMFYSA-N 263.406 3.671 30 20 CHED N#CCC1CCN(Cc2ccc3occc3c2)CC1 336486524 COAKVPNHSBOQJJ-UHFFFAOYSA-N 254.333 3.558 30 20 CHED CC(C)CCN(C(=O)CC(C)(C)C#N)C1CCCC1 500464701 HKCZIAFRIUUZQK-UHFFFAOYSA-N 264.413 3.744 30 20 CHED CC(C)CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)C1CC1 74917496 RWWFYQWTMGJEJQ-AWEZNQCLSA-N 299.418 3.839 30 20 CHED Cc1cccc(C)c1NC(=O)c1cccc(CC#N)c1 42214209 YTGFMWQWMDMDEA-UHFFFAOYSA-N 264.328 3.622 30 20 CHED C=CC(C)(C)C(=O)Nc1sc(C)c(CC)c1C#N 410439777 WDJKMTSIADWKGS-UHFFFAOYSA-N 262.378 3.641 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC1 78573035 MWONZLLKAPYORC-LBPRGKRZSA-N 289.404 3.566 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(C#N)cc1C 186100350 PNFNDHDVAIQNSN-UHFFFAOYSA-N 292.338 3.716 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccc(Cl)cn2)cc1 134704452 YSTVKCIAVGQJMW-UHFFFAOYSA-N 299.761 3.604 30 20 CHED C[C@H]1Cc2ccccc2N(C(=O)[C@]2(C#N)CC23CCCC3)C1 410439336 JTYIVPBAOLQWLH-IFXJQAMLSA-N 294.398 3.686 30 20 CHED C[C@@H]1CCCC[C@@H]1C/N=C(/O)[C@@H]1CCC(=O)c2cccn21 329846108 MBLOLQRAORZCGN-NFAWXSAZSA-N 288.391 3.789 30 20 CHED C#Cc1cccc(NCc2cn(C)nc2-c2cccs2)c1 130436911 VJVWVSGHXYBGSG-UHFFFAOYSA-N 293.395 3.742 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC)c1ccccc1 413656055 LNYYBRWGZAONIE-HNNXBMFYSA-N 260.381 3.745 30 20 CHED N#CC1(CCN2CCC[C@@H]2C(F)F)CCCCC1 411717035 AAXZLTWLLOFYDU-GFCCVEGCSA-N 256.340 3.580 30 20 CHED CCOC(C)(C)CNc1ccc(C#N)c(Br)c1 228197285 YQJJCCJDRLVYII-UHFFFAOYSA-N 297.196 3.548 30 20 CHED C=CC[C@H](CC)NC(=O)CCCOc1ccccc1Cl 410127741 OGMNADYDOIYFIM-ZDUSSCGKSA-N 295.810 3.970 30 20 CHED Cc1cccc(C)c1CCN[C@H]1CCC[C@H](C#N)C1 193026190 CZALTDOVUCTMNA-HOTGVXAUSA-N 256.393 3.518 30 20 CHED Cc1cc(O)c(C(C)C)cc1NC(=O)c1cccc(C#N)c1 88467139 KLAIXFUBHXRXRR-UHFFFAOYSA-N 294.354 3.948 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCC1 83794838 ZUDKPWHOFFNJRD-UHFFFAOYSA-N 269.131 3.626 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 528704000 NGZFWEKZKXXJLL-UKRRQHHQSA-N 270.376 3.536 30 20 CHED C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccc(C#N)cc1 43017019 KWLVIQMKCGUGLS-LBPRGKRZSA-N 289.338 3.531 30 20 CHED CN(Cc1ccccc1O)Cc1ccccc1C(C)(C)C#N 135210089 BULRXIMSOZLZPV-UHFFFAOYSA-N 294.398 3.825 30 20 CHED O/C(=N/CC1CCC(F)(F)CC1)c1ocnc1C1CC1 329573536 RKGVZJDQPKCUPK-UHFFFAOYSA-N 284.306 3.682 30 20 CHED C[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(C)(C)C#N 131046948 IWQLQDGGDPVVDB-OALRPVAKSA-N 277.751 3.835 30 20 CHED C=C(C)CSc1nncn1-c1cccc(Cl)c1 47821755 UVYOULHVDYWHLK-UHFFFAOYSA-N 265.769 3.589 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cc(Cl)cc(F)c1F 334607541 BSZXBLKQJGBKBH-UHFFFAOYSA-N 296.660 3.644 30 20 CHED CCCc1ccc(C(=O)N(CC#N)c2ccccc2)cc1 195114660 LVJCJGBQXQVMNO-UHFFFAOYSA-N 278.355 3.809 30 20 CHED C=CCSCCNC(=O)N(CCC)Cc1ccccc1 194635313 ATZAHBAUYJVDAM-UHFFFAOYSA-N 292.448 3.527 30 20 CHED C[C@@H](CCc1c(F)cccc1F)NCC1(CC#N)CC1 338011634 KXHYAGGFNMCWQV-LBPRGKRZSA-N 278.346 3.569 30 20 CHED C=CCCCCN(Cc1nc(O)c2ccccc2n1)C(C)C 519864300 VMXGTSIWYXGTJO-UHFFFAOYSA-N 299.418 3.902 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 84710594 OQRZOZUVEQXFHM-LBPRGKRZSA-N 282.343 3.506 30 20 CHED C=C(Br)CN[C@H](C)[C@@H]1CC2CCC1CC2 382094578 JJRFFOBVBNFRDL-XVSSEFHLSA-N 272.230 3.699 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1C 194584366 YNIUGNDQORJAAG-XJKSGUPXSA-N 285.391 3.909 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc(CC#N)c1 334739796 GZWKEHYVXPSUPI-BBRMVZONSA-N 285.391 3.795 30 20 CHED C=C(C)CN(C)Cc1nc(-c2cccs2)oc1C 181251075 CCJPXTWMOYTKPL-UHFFFAOYSA-N 262.378 3.719 30 20 CHED N#Cc1cccc(CN2CC[C@@H](c3cccc(F)c3)C2)c1 513461065 KCHNHMRZUAVAGN-QGZVFWFLSA-N 280.346 3.687 30 20 CHED CC(C)c1ncsc1NC(=O)[C@@]1(C#N)CC12CCCC2 333966637 RGDNASSDECUTDM-HNNXBMFYSA-N 289.404 3.679 30 20 CHED CC1(CC(=O)Nc2ccccc2SCCC#N)CC1 428716850 JHVIJWFGWLFLDN-UHFFFAOYSA-N 274.389 3.821 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N1[C@H]2CCC[C@H]1CC2 336570032 HCKIZJUABOCJBG-KBPBESRZSA-N 299.374 3.506 30 20 CHED C=C(C)CN(C)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2 194472320 QTWODYRRWQIGEF-LLVKDONJSA-N 293.436 3.698 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1CC#N 335138151 FWBSCRWNOIZLIF-TZMCWYRMSA-N 256.349 3.517 30 20 CHED C=CCOCCS[C@@H](C)c1ccccc1OC 338550297 AMFCNWDMYPGGLD-LBPRGKRZSA-N 252.379 3.692 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1NCC1CCC(F)(F)CC1 425257217 IITWZHIODCPDSS-UHFFFAOYSA-N 295.289 3.704 30 20 CHED Cc1cccc(NC(=O)c2cccc(C#N)c2C)c1F 337843709 WKDQMRREXHIYPN-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C[C@H](CC(=O)NCc1ccc(C#N)s1)C1CCCCC1 421603954 XSACDQIYCOHYQS-GFCCVEGCSA-N 290.432 3.842 30 20 CHED C=C(CNC(=O)N1CCCC[C@H]1C(C)C)c1ccccc1 512681321 NDCBCCANACQIIL-KRWDZBQOSA-N 286.419 3.920 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1ccccc1OC(F)F 339220366 VBAMGEYCLLIZHB-JTQLQIEISA-N 289.285 3.728 30 20 CHED CCc1cnc(N=C(O)c2oc(CC3CC3)nc2C)s1 330012954 LJOCSAUDDJMJSF-UHFFFAOYSA-N 291.376 3.591 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(COC)o1 92505640 FHLWZTIVAKJRFS-UHFFFAOYSA-N 285.387 3.657 30 20 CHED C=C(C)[C@@H](CC(=O)N1C[C@H](C)Cc2ccccc21)OCC 339352860 QQFCYIKTOMNUQA-RHSMWYFYSA-N 287.403 3.583 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(SC)c(OC)c1 90883949 JPOAZZOLWDZQAJ-CYBMUJFWSA-N 295.448 3.660 30 20 CHED CC[C@@H](C)C[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 237018512 WYVBEHQRKQYXBC-HZPDHXFCSA-N 287.451 3.951 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc(C#N)cc1 512118720 OPLKOMOFNKAHOH-WMLDXEAASA-N 299.418 3.574 30 20 CHED CC(C)CCN(CCC#N)Cc1cnc(C2CC2)s1 93100935 SUXZXQKFCKFEGR-UHFFFAOYSA-N 277.437 3.782 30 20 CHED CC(C)C[C@H]1CCCN1CCCC1(C#N)CCOCC1 337144458 WMEWSMCMLGQKLQ-MRXNPFEDSA-N 278.440 3.597 30 20 CHED OC1=NCc2ccc(N=C(O)[C@@H]3CCC(F)(F)C3)cc21 330116474 VMGJGNDPJMMVAC-MRVPVSSYSA-N 280.274 3.528 30 20 CHED N#Cc1nn(Cc2cccc(Cl)c2F)c2ccccc12 432494341 DZBAIFZWEFIRNH-UHFFFAOYSA-N 285.709 3.749 30 20 CHED C[C@@H]1CC[C@@H](C)N1Cc1cccc(OCCCC#N)c1 91937535 RGTLTLHRHMZQDU-HUUCEWRRSA-N 272.392 3.742 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H]1C1CCCC1 432560892 VXDFOVGYMVFSGP-OAHLLOKOSA-N 278.440 3.953 30 20 CHED C=C(C)CSCc1cn2cc(Cl)ccc2n1 439545184 STIJRMQXULQHLZ-UHFFFAOYSA-N 252.770 3.797 30 20 CHED CCOCc1ccc(Nc2nccc(C)c2C#N)cc1 343527770 LPFODSDOEKBFLN-UHFFFAOYSA-N 267.332 3.542 30 20 CHED CCCCCCCCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C 247492786 ULNMDHRNBSKHBS-HZPDHXFCSA-N 282.472 3.536 30 20 CHED C=CCN(CCC#N)Cc1cccc(-c2ccccn2)c1 430088991 LXKKTZPEIHHCKI-UHFFFAOYSA-N 277.371 3.650 30 20 CHED CC[C@H](C)[C@H](C(=O)N(CC)C[C@H](C)C#N)c1ccccc1 249982071 AWYBYQQIPSEDNH-VYDXJSESSA-N 286.419 3.824 30 20 CHED CCC1(CC)[C@H](NCCCC(C)(C)C#N)[C@@H](C)[C@H]1OC 248733421 BHKBVXCPUHXRDK-RBSFLKMASA-N 280.456 3.746 30 20 CHED C[C@H]1[C@H](C)CCN1Cc1cccc(OCCCC#N)c1 245698321 BGUZVDDCLSQUPY-CABCVRRESA-N 272.392 3.599 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(CC#N)cc1 340037424 KKHGNFORWLMIKK-AWEZNQCLSA-N 278.355 3.586 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C)c1cccnc1 340601920 LRAWIRKVPHVMHR-CQSZACIVSA-N 270.351 3.970 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1ncc(C#N)cc1Cl 431560620 ZFBXTYSKHOWMRK-UHFFFAOYSA-N 293.798 3.551 30 20 CHED Cc1cc(C)c(CC(=O)N2CCCC(C)(C)[C@H]2C#N)c(C)c1 434013876 DEVKFMLISVYQNN-QGZVFWFLSA-N 298.430 3.695 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(-n2ccnc2)cc1 348233924 WIOAIMBNLIIADZ-HNNXBMFYSA-N 296.418 3.853 30 20 CHED COc1ccc([C@H](C)CCNc2cccnc2C#N)cc1 521947550 RBEOBCGJRIHHQK-CYBMUJFWSA-N 281.359 3.568 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2cc(C#N)c[nH]2)n1 341182264 IMAVQMRNDOKYSM-RYUDHWBXSA-N 270.336 3.620 30 20 CHED CC1=NN(c2cccc(Cl)c2Cl)C(=O)[C@@H]1CCC#N 601935732 XBQGXFKLCNGPKN-SECBINFHSA-N 296.157 3.636 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1cc(F)ccc1C#N 345773270 PJNFTIQEGKGPRL-CYBMUJFWSA-N 280.346 3.644 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cc(Cl)ccc1Cl 538194765 LKUTZFSQHJDDRB-MNOVXSKESA-N 288.218 3.829 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)s1 604028658 CGVCGXVMFGIBSP-OUJBWJOFSA-N 274.389 3.557 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnc([C@@H](C)CC)nc1 434530538 NWOAGCJSWWKTLE-QWHCGFSZSA-N 290.411 3.856 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1CCC[C@@H](C)C1 602385571 DMCGTZQSLRNUBC-TZMCWYRMSA-N 288.366 3.817 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2CC)CC1 600856461 ROVLPEXUZLOBTB-GJZGRUSLSA-N 264.413 3.563 30 20 CHED C[C@H](CCC#N)CNc1ccc(F)cc1OCC(F)F 602583385 RHAIRGWXIMJUGS-SNVBAGLBSA-N 286.297 3.821 30 20 CHED N#Cc1ccc(CNc2cccc3cccnc23)c(F)c1 343426793 JEYCWOITGROPFF-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1ccccn1 438329556 QTTAOZMRKSKENV-UHFFFAOYSA-N 269.344 3.706 30 20 CHED Cc1ccc(C#N)c(Oc2ccc(OC(C)C)cc2)n1 342412154 IMFWTPFVRBASQR-UHFFFAOYSA-N 268.316 3.841 30 20 CHED CCc1ccc([C@H](NC(=O)NCCCC#N)C(C)C)cc1 344004458 ZKJYOTMDDVUASI-MRXNPFEDSA-N 287.407 3.549 30 20 CHED Cc1ccc(C#N)c(NCc2ccccc2OCC(C)C)n1 346850097 LRVVCHDYXFKRIX-UHFFFAOYSA-N 295.386 3.909 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccncc1Cl 527717724 BINRMCHGLVGKKZ-KRWDZBQOSA-N 297.789 3.774 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(Cl)cc1F 345990319 JCFFAIGZHQWTCR-UHFFFAOYSA-N 282.746 3.539 30 20 CHED C[C@H](CC#N)NCCCc1ccc(C(F)(F)F)cc1 602860313 CNTCDFPFEGITAU-LLVKDONJSA-N 270.298 3.530 30 20 CHED C[C@@H](SCC1(C#N)CC1)c1nc(-c2cccs2)no1 344460055 LASUWHQZDRHVKT-SECBINFHSA-N 291.401 3.896 30 20 CHED CC(C)Oc1ccc(C(=O)N(CC#N)c2ccccc2)cc1 604456527 YDMJNLAMTWBUNV-UHFFFAOYSA-N 294.354 3.644 30 20 CHED Cc1cc(CNC[C@H](C)Oc2ccccc2C)ccc1C#N 444002416 NYINCPJLUMCZKM-INIZCTEOSA-N 294.398 3.732 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(C#N)c(C)c1 446811179 WVYPNAHKNXDSJN-UHFFFAOYSA-N 291.354 3.749 30 20 CHED N#C[C@@H]1CC[C@H](NCCOc2cccc3ccccc23)C1 442787554 WYOJNRBOBNESBT-ZBFHGGJFSA-N 280.371 3.500 30 20 CHED C=CC(C)(C)CNCc1c(C(C)C)nc2sc(C)nn12 449486207 QZRMWZYTNGNKDT-UHFFFAOYSA-N 292.452 3.524 30 20 CHED CCOc1cc(F)ccc1NC[C@H](C)CCC#N 602491457 HKAOBNUPRXTQHX-LLVKDONJSA-N 250.317 3.576 30 20 CHED COc1cccc(/C=N\[C@@H](CCC#N)c2ccccc2)c1O 254992049 WWCPJMDCULACBQ-SMEDBKPVSA-N 294.354 3.865 30 20 CHED CC[C@@H](C)[C@@H](CNc1cccc(OCCCC#N)c1)OC 602483216 HWPQWJGSVRXYRC-RHSMWYFYSA-N 290.407 3.842 30 20 CHED N#Cc1cnc(N[C@H]2CCc3ccc(F)cc32)c(Cl)c1 609288446 XHSNLNIJPPDECO-AWEZNQCLSA-N 287.725 3.845 30 20 CHED N#CCCC[S@](=O)Cc1cc(Cl)cc(Cl)c1F 600934554 XKPWQYXKWQZGDY-KRWDZBQOSA-N 294.178 3.685 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3cc(F)c(F)c(F)c32)C1 449584352 JOJBYBPMLJITRQ-XWIASGKRSA-N 294.320 3.763 30 20 CHED CC(C)[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 442884216 GRFLCZMCHKLMAX-RHSMWYFYSA-N 256.393 3.987 30 20 CHED C=CCC[C@H](NC(=O)C[C@@H]1C[C@H]1C)c1ccccc1 355186868 WZTJELNKRMCPFZ-KBMXLJTQSA-N 257.377 3.856 30 20 CHED C=C(CC)CNc1ccc(C(=O)NC(C)(C)CC)cc1 538000854 VWMYIWRADTYNLJ-UHFFFAOYSA-N 274.408 3.983 30 20 CHED C=CCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)C1CC1 357493186 NALIMKYYIJFZHN-UHFFFAOYSA-N 295.329 3.695 30 20 CHED CC[C@H](C)CN(CC)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618849827 SCVXITCGGUZLNI-SUMWQHHRSA-N 299.418 3.623 30 20 CHED C[C@H](NCCCc1ccsc1)c1cccc(C#N)c1 611932598 VRYFQSKLXCCYPQ-ZDUSSCGKSA-N 270.401 3.903 30 20 CHED C=C(C)CN(CCC1CC1)Cc1cnn(C(C)C)c1 352912823 FCNGCDFEQJGCHA-UHFFFAOYSA-N 261.413 3.642 30 20 CHED C=CCCCC[C@@H](C)Nc1cnn([C@H]2CCOC2)c1C 449541245 ZSEFMONRUURZNP-HIFRSBDPSA-N 277.412 3.700 30 20 CHED C=CCOc1cccnc1-c1nc([C@@H](C)C(C)(C)C)no1 356885197 WHPYPDIAEISIBF-LLVKDONJSA-N 287.363 3.846 30 20 CHED Cc1ccccc1[C@@H](CC(F)(F)F)NCC1(C#N)CC1 444786180 TXMXUFOEXQJUNJ-CYBMUJFWSA-N 282.309 3.882 30 20 CHED Cc1oc2ccccc2c1CN(C)CC(C)(C)C#N 354035802 FEOBWJVBYFHNBD-UHFFFAOYSA-N 256.349 3.723 30 20 CHED Cc1ccc(CCCN[C@H]2CCC[C@H](C#N)C2)c(C)c1 618562193 FWISTNKZUZZVIC-WMZOPIPTSA-N 270.420 3.908 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1O 450340061 DIRBSXVVVLDFAQ-UHFFFAOYSA-N 274.147 3.850 30 20 CHED C=C(C)CCc1noc([C@@H]2CCN(c3ccccc3)C2)n1 453186295 UBKAPNMTPVNCOI-CQSZACIVSA-N 283.375 3.572 30 20 CHED CC(C)C[C@@H]1C[C@H](Nc2cccc(F)c2C#N)CCO1 539594792 ALXONHNLSSBHGL-CHWSQXEVSA-N 276.355 3.703 30 20 CHED CC(C)(C)Oc1ccc(-c2noc(CCCC#N)n2)cc1 361023878 ZIZPDIKNBYIWKQ-UHFFFAOYSA-N 285.347 3.760 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn([C@@H](C)CC)c1C 361306283 UKEPFSGUJFEAGF-LBPRGKRZSA-N 275.396 3.869 30 20 CHED C=CCCCC(=O)N1CCc2cccc(Cl)c2C1 458008085 DTOWVUCITYBNNG-UHFFFAOYSA-N 263.768 3.581 30 20 CHED Cc1ccc(CCNc2nc(C(C)(C)C)ccc2C#N)o1 613411442 BHZWGKNMFKXOFF-UHFFFAOYSA-N 283.375 3.807 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2S1 538335822 NDDUSIVKRVBYJA-WFASDCNBSA-N 275.417 3.564 30 20 CHED C=C[C@@H]1OCC[C@H]1NCCCOc1cccc2ccccc12 451606648 NIGYQQSBYZMNDG-MSOLQXFVSA-N 297.398 3.542 30 20 CHED C[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 610345558 VWAJDDVWILRTFX-KBPBESRZSA-N 293.370 3.680 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](C3CC3)C2)CCCCC1 450318237 VHZBVDAKPGKDRA-OAHLLOKOSA-N 261.409 3.772 30 20 CHED CCC1(C(=O)NCc2ccc(C#N)c(F)c2)CCCCC1 456839024 OAUJEXBMRWNFEN-UHFFFAOYSA-N 288.366 3.674 30 20 CHED N#CC1(CN[C@@H]2CCC[C@@H]2c2ccc(F)cc2)CCC1 450737796 KTVGNRWIZXELOI-HZPDHXFCSA-N 272.367 3.745 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1ccc(F)cc1F 453340638 HVZLPYOUVACNKW-OAGGEKHMSA-N 281.346 3.739 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(F)cc1C 454658874 FJYQROSQDNFRIX-WFASDCNBSA-N 276.355 3.555 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1N(C)CCC 627095962 LMLIGTOAGDPVEY-UHFFFAOYSA-N 289.423 3.963 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1CCCCC12CCCC2 366138720 NZYAZIGKMMKBSY-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED N#CCc1ccc(CNc2ccc3c(c2)CCCC3=O)cc1 453120620 DEDKJZZVEOIXOP-UHFFFAOYSA-N 290.366 3.884 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Br)c(OC)c1 450027322 NYSPYWBLIDSBGN-UHFFFAOYSA-N 298.180 3.608 30 20 CHED C=CCCCCNC1CCN(c2ccc(OC)cc2)CC1 364190552 OBCHJVLSZRDUPL-UHFFFAOYSA-N 288.435 3.610 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CC[C@@H](F)C1 360359279 IMFQRFDKIVTIGM-NEPJUHHUSA-N 279.380 3.585 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H](CCC)OCC 624504929 RQCGQOVMOJABII-MRXNPFEDSA-N 293.382 3.546 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)N(C)Cc1cccc(C#N)c1 455282468 NVOBGAWZWYTNHQ-IRXDYDNUSA-N 299.418 3.526 30 20 CHED CC[C@@H](NC[C@H](O)c1cccc(C)c1)c1ccc(C#N)cc1 278854554 VWOVGSXNGWFJSL-MOPGFXCFSA-N 294.398 3.641 30 20 CHED C=CCCCCCS(=O)(=O)c1ccc(Cl)s1 629169508 UAJQAWWQNLXEJK-UHFFFAOYSA-N 278.826 3.922 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@@H]1CC(=O)c1ccco1 272344700 CCTVFGUGQXXZPV-GFCCVEGCSA-N 298.317 3.532 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)[C@@H](C)C1CCCCC1 543463354 KIZWQHSURCJKPX-YCPHGPKFSA-N 253.430 3.508 30 20 CHED CC(C)(C#N)CCSCc1cn2ccccc2n1 276597347 JNCVEWHQUYQBSH-UHFFFAOYSA-N 259.378 3.507 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1ccc(C(F)(F)F)c(C#N)c1 463650791 RJQHDSXZWYKRMY-GXFFZTMASA-N 298.308 3.947 30 20 CHED C=CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C1 628493204 LEJORHMMMQBBLN-AEGPPILISA-N 289.806 3.868 30 20 CHED Cc1ccccc1[C@H]1CCCN1c1cc(C#N)ccn1 283685578 YCZDUVZCYNAPHN-MRXNPFEDSA-N 263.344 3.603 30 20 CHED C=CCCO[C@@H](C)C(=O)N(Cc1ccsc1)C(C)(C)C 622904142 VGHLQVFPNCGKJQ-ZDUSSCGKSA-N 295.448 3.856 30 20 CHED C#CCCOc1ccc(CN(CC)Cc2ccncc2)cc1 289652552 CHYVFEQILUNSPW-UHFFFAOYSA-N 294.398 3.506 30 20 CHED C[C@@H](CCC#N)N1CCC(c2ccccc2F)CC1 556811686 LTJWVHPZVAEJFH-ZDUSSCGKSA-N 260.356 3.697 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@H](c2ccc(C)cc2C)C1 285970372 ODHUZMRBPGHYOO-MAUKXSAKSA-N 284.403 3.559 30 20 CHED CSC1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 377617080 RLNMPHHZQQUTQS-HOTGVXAUSA-N 286.444 3.654 30 20 CHED Cc1ccccc1[C@@H](C)NCCCC1(C#N)CCOCC1 282074962 TVFZRMFFEOCXHO-MRXNPFEDSA-N 286.419 3.746 30 20 CHED COc1ccccc1N(CCCSCC#N)C(C)C 289517710 MEDKYJQUJUFBSS-UHFFFAOYSA-N 278.421 3.557 30 20 CHED N#Cc1cccc(OCCNc2ccc(Cl)cc2)c1 462204150 TYYGMTIJXBOSMN-UHFFFAOYSA-N 272.735 3.703 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 464749298 DCZDMLPKHJRAST-QAPCUYQASA-N 294.398 3.844 30 20 CHED C=CCCCCCNc1cc(NC(C)=O)ccc1F 559973120 UMEAMNGDGBYQNQ-UHFFFAOYSA-N 264.344 3.942 30 20 CHED Cc1cc(C)cc(CCNc2snc(C)c2C#N)c1 553414341 SPNPXWRTACAKFQ-UHFFFAOYSA-N 271.389 3.595 30 20 CHED C[C@H](C(=O)N1CCC[C@H](C(C)(C)C)C1)c1cccc(C#N)c1 462330496 DDASBLZDSFOMDH-YOEHRIQHSA-N 298.430 3.946 30 20 CHED C=CCN(Cc1cccs1)[C@@H](C)c1cnc(C)nc1C 637872442 ZFTNTOSDSOHKFR-ZDUSSCGKSA-N 287.432 3.904 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cccc(N2CCOC2=O)c1 281585855 LMCSQRMTNZWCLS-HIFRSBDPSA-N 288.391 3.649 30 20 CHED COc1cc(SC)ccc1NCCC(C)(C)C#N 288785299 WYABOJNAGRSMOS-UHFFFAOYSA-N 264.394 3.769 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C=C(CCC)CCC 281650006 YMOLOJSMQVWXAF-DOTOQJQBSA-N 279.424 3.610 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)Oc1ccccc1C 467991845 CFRLISILZWIXOY-QAPCUYQASA-N 289.419 3.871 30 20 CHED C=C(C)CN(CC)C(=O)CS[C@@H](CC)CCC 477045403 QDVMMTHGVYZNOF-ZDUSSCGKSA-N 257.443 3.723 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCc1c[nH]c2ccccc12 281024000 GYAAWGLOWWDUHA-OAHLLOKOSA-N 284.403 3.962 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2ccnc(C#N)c2)C1 553061369 ZVCPQHGKJDOMJR-GOSISDBHSA-N 277.371 3.511 30 20 CHED C=CCOCCCN1CCCC2(CCCCC2)C1 470760294 ABTQSJOCFCHSCA-UHFFFAOYSA-N 251.414 3.625 30 20 CHED C=CCCC1(C(=O)N2CCc3c(Cl)cccc3C2)CC1 476096336 LXONRHKVDJQMQM-UHFFFAOYSA-N 289.806 3.971 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1C(C)(C)C 299358248 XLDZTGUUTCOACL-ZDUSSCGKSA-N 275.392 3.904 30 20 CHED C[C@H](C#N)OCCSCCCOc1cccc(Cl)c1 802750242 ZOANAROHIAEUGN-GFCCVEGCSA-N 299.823 3.771 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 474570596 QLACPXREBMTNSI-CVEARBPZSA-N 286.419 3.767 30 20 CHED Cc1nc(N2CC(C)(C)[C@@H]2c2cccs2)ccc1C#N 291912265 KZXXTIXGMUFCRY-HNNXBMFYSA-N 283.400 3.911 30 20 CHED CC(C)(C#N)CCCN1CCC=C(c2ccccn2)C1 555879017 UFSFFEZGAJXIOF-UHFFFAOYSA-N 269.392 3.501 30 20 CHED C#CCCCN(C)[C@H](C)Cc1ccccc1C(F)(F)F 805772825 OICUTHIKWITWHW-CYBMUJFWSA-N 283.337 3.982 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC[C@H]2F)cc1Cl 550320703 XYJDDNUCRUTXJB-KGLIPLIRSA-N 283.774 3.885 30 20 CHED C=CCCC1(C(=O)NCCOc2ccccc2Cl)CC1 476477028 RPLDYGHSTHDXEC-UHFFFAOYSA-N 293.794 3.581 30 20 CHED C=CCC[C@H](NCc1n[nH]c(C(C)C)n1)c1ccccc1 293181447 NVIXJCFPFNXSDR-HNNXBMFYSA-N 284.407 3.725 30 20 CHED C[C@@H](NCc1ccc(F)cc1C#N)c1ccsc1 801571350 XYNOHSAENHXEBT-SNVBAGLBSA-N 260.337 3.610 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2ccc(C)cc21 644628476 PYSMESBUWDUERB-OAHLLOKOSA-N 257.377 3.701 30 20 CHED C=CCC(C)(C)CNC(=O)CCCc1cccs1 293915313 ASEJNYWBOHRGDX-UHFFFAOYSA-N 265.422 3.789 30 20 CHED C=CCOCCNCc1ccc(C2CCCC2)cc1 643330132 FAXYHCLBUMIXSS-UHFFFAOYSA-N 259.393 3.636 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OC(C)C)cc1 473661927 ADHWZZCYFKUCMT-UHFFFAOYSA-N 276.380 3.952 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1c1nccc(C#N)n1 295493235 KCVRIKHPNAJMGT-DLBZAZTESA-N 292.386 3.511 30 20 CHED C#C[C@H](NC(=O)N[C@H](C)c1ccccc1Cl)C(C)(C)C 808185010 VGMYWWUMHIUHIR-RISCZKNCSA-N 292.810 3.748 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)c1cccc(C#N)c1)C1CC1 298396647 ONXMSFVWPANGGS-AWEZNQCLSA-N 290.366 3.924 30 20 CHED Cc1cc(C(=O)CSc2ccc(C#N)c(C)c2)c(C)[nH]1 647143933 GLNLTDNXTVVQDW-UHFFFAOYSA-N 284.384 3.787 30 20 CHED CCN(C(=O)/C=C/c1ccccc1C#N)c1ccc(F)cc1 800412735 PNFAKTATCZWVGB-KPKJPENVSA-N 294.329 3.764 30 20 CHED CC(=NN[C@@H]1CCSC1)c1ccc(-c2ccncc2)cc1 807999307 JTBUXVXINRGQNY-QGZVFWFLSA-N 297.427 3.568 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 292944912 YAUWGGXLOIRMHP-ZBFHGGJFSA-N 271.404 3.993 30 20 CHED C=C(C)CCNc1cc2c(cc1Cl)OCCCO2 809187845 QOAMKVDBJZLTIJ-UHFFFAOYSA-N 267.756 3.879 30 20 CHED C#Cc1ccc(CNc2cccc(OCCCC#N)c2)cc1 809597661 KMZYTMPNNYKVNU-UHFFFAOYSA-N 290.366 3.963 30 20 CHED C#CCN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1C 801628301 DOZPFUGDVVBBQZ-UHFFFAOYSA-N 294.354 3.884 30 20 CHED C[C@@H](O)C[C@@H](CNc1ccc(C#N)cc1F)c1ccccc1 562239944 IIHVDPCQHLSZFA-CJNGLKHVSA-N 298.361 3.664 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccccc1Cl)C(C)C 488577849 QCZRERGSICMPDS-CQSZACIVSA-N 280.799 3.912 30 20 CHED CC(C)(C)c1ccc2c(c1)CCCN2CCOCCC#N 815078414 YOBHORHDVLNNTI-UHFFFAOYSA-N 286.419 3.667 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)c1cn(C)c2ccccc12 488836517 IQEXVCUVSPUMQG-LSDHHAIUSA-N 296.414 3.849 30 20 CHED CCCCCCCC(=O)Nc1cccc(C(C)=O)c1O 816620701 HMMKZZROZPODEN-UHFFFAOYSA-N 277.364 3.894 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC12CCCCC2 815880715 PNLMTGNAENCONC-UHFFFAOYSA-N 257.324 3.523 30 20 CHED CCC(C=NNc1ccccc1C(=O)O)(CC)CC 814768488 DDAIJQQIDXVJPC-UHFFFAOYSA-N 262.353 3.999 30 20 CHED CC(=O)c1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cs1 815278456 RZAXQKOXPSKHHK-NSHDSACASA-N 299.351 3.740 30 20 CHED C[C@H](CC1CCCCC1)NC[C@H](O)c1ccc(C#N)cc1 819269198 DXAJXKCYKDBCKS-KDOFPFPSSA-N 286.419 3.540 30 20 CHED C[C@H]1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)C[C@@H](C)O1 574973836 PSGONMDAXGSRIW-CSHUHZATSA-N 298.430 3.871 30 20 CHED C=CCC[C@@H](C(=O)N(C)CC(C)C)c1ccccc1 488682819 HGIHJFARJJCSFC-MRXNPFEDSA-N 259.393 3.851 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccc(Cl)cc1)OC 813155230 SOEQMLCXKXLBOE-CQSZACIVSA-N 296.798 3.768 30 20 CHED CC1(C)C(=NNc2ccc(F)c(F)c2F)[C@@H]2CCCO[C@@H]21 814945209 QIYJIDDPQSABSI-RTHLEPHNSA-N 298.308 3.707 30 20 CHED CCN(C(=O)[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 484089448 ZBPNPUQTNFHQPQ-HNNXBMFYSA-N 270.376 3.737 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C1(C#N)CCCCC1 482564530 HOWOARBEYMWSKK-ZIAGYGMSSA-N 276.424 3.791 30 20 CHED C=CCCCCCCCNC(=O)NC1C[C@H](C)O[C@@H](C)C1 811900165 RAXMOLAFANLHDI-GJZGRUSLSA-N 296.455 3.768 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)s1 486819509 CYDZKNUMBIZKHJ-UHFFFAOYSA-N 296.273 3.891 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](O)c1ccc2ccccc2c1 819384033 UUUKBPDHYXZWSJ-KRWDZBQOSA-N 297.398 3.592 30 20 CHED C#C[C@H](NC(=O)c1ccc(C2=CCCC2)cc1)C(C)C 811491164 AMVXEPMLMFNSQF-KRWDZBQOSA-N 267.372 3.642 30 20 CHED CO[C@H](C)CCNc1c(C#N)cnc2c(Cl)cccc12 571043026 ZDJHOKOSRSBNGS-SNVBAGLBSA-N 289.766 3.597 30 20 CHED Cc1cccc(NN=Cc2nc3c(s2)CCCC3)c1 814687736 TVIBBFVXGOZXIL-UHFFFAOYSA-N 271.389 3.776 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc2occ(C)c2c1)C(C)C 821566335 ZMPADJMDDMRWOW-CQSZACIVSA-N 270.332 3.521 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C)C1CCN(C(=O)OC)CC1 824203689 XGAFMGOBCHVKGT-CABCVRRESA-N 296.455 3.578 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc(O)c(C)c1 728232972 ZEPAXBUKVVVQHA-SOFGYWHQSA-N 282.339 3.914 30 20 CHED COc1ccc(O)c(/C=N/CC2(c3ccccc3C)CC2)c1 726429137 JNUZNCVGDYOGDV-UDWIEESQSA-N 295.382 3.860 30 20 CHED C=C(C)CON=C(C)CCCCNC(=O)OC(C)(C)C 496942676 JAMNLFBHEDLECD-UHFFFAOYSA-N 284.400 3.650 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1c(F)cccc1Cl 495166225 HTBJJWWKDLZSNM-LLVKDONJSA-N 296.773 3.729 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)CCC#N)C1 494630965 HSXFMSUUKCKULX-CABCVRRESA-N 293.455 3.830 30 20 CHED C=CCCNC(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 665941267 WDAKOGKBLSOMSF-CVEARBPZSA-N 272.392 3.540 30 20 CHED C[C@H](O)c1cc(NC2CCC(C)(C#N)CC2)ccc1F 824376517 ILJKWHQLJZYWLX-FZWSLVFFSA-N 276.355 3.763 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1ccccc1 726740118 SSPAHETVRSBOHU-KHPPLWFESA-N 262.308 3.902 30 20 CHED C=C(CC)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 494493461 IMBLCVNHFGXOIH-LSDHHAIUSA-N 265.784 3.726 30 20 CHED C=CCCCC[C@H](C)NC[C@@H](O)c1ccsc1 823911829 WGBZXSYPMRDPBL-GXTWGEPZSA-N 253.411 3.506 30 20 CHED C=CCC1(C(=O)NOC2CCCC2)CCCCC1 827833922 BJQFAQAGHJXGGG-UHFFFAOYSA-N 251.370 3.503 30 20 CHED CCCCCCCCNC(=O)Nc1ccccc1CN 904649998 ZCMADUHZKPTREG-UHFFFAOYSA-N 277.412 3.627 30 20 CHED C[C@H]1/C(=C/c2ccc(C3CC3)cc2)C(=O)c2nccn21 901565178 KPHLYAIBHROQDV-SAIXKJTDSA-N 264.328 3.601 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 736400017 IFCYRNZVTNRAMP-CHWSQXEVSA-N 272.820 3.643 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 490244467 KTDZAZAFXCDOFV-JYJNAYRXSA-N 287.403 3.663 30 20 CHED CC1(C)CCCN(C[C@@]2(C)CC2(Cl)Cl)[C@@H]1C#N 829244537 YGYWXYMZJJPAFQ-ZYHUDNBSSA-N 275.223 3.584 30 20 CHED C#CCOc1cccc([C@@H](C)OC(=O)/C=C/c2ccco2)c1 730700176 PRLNBSVLBOGHJO-ATWMFIQVSA-N 296.322 3.609 30 20 CHED C#CCC1(c2nc(-c3ncc(C)s3)no2)CCCCC1 834875164 LMECVJCCEOEFQI-UHFFFAOYSA-N 287.388 3.727 30 20 CHED CC[C@@H](C)[C@H](C=NNc1ncnc(Cl)c1C(C)C)OC 834975423 KRHDYWGGQYSPSR-MNOVXSKESA-N 298.818 3.712 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)cc1F 731489682 JHLDYZCMQKROLI-RMKNXTFCSA-N 298.313 3.657 30 20 CHED CCN(CC)c1ccc(NC(=O)C#CC(C)(C)C)cc1 837326125 PTCDMOAXRRSCHY-UHFFFAOYSA-N 272.392 3.521 30 20 CHED C=CC[C@H](NC(=O)/C=C/C1CCCCC1)c1ccncc1 735472561 UGJWYWMAOZHIDK-FVNWOWOISA-N 284.403 3.952 30 20 CHED CCc1cc(C#N)c(NC(=O)c2occ3c2CCC3)s1 588890122 JAKYQWGHXOGXSY-UHFFFAOYSA-N 286.356 3.516 30 20 CHED C=C[C@](C)(O)Cc1nc(-c2c(Cl)cccc2Cl)no1 904306256 QHCABOUMZYBLPA-ZDUSSCGKSA-N 299.157 3.523 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2ccsc2C#N)C1 906984344 YQNOHNWJIXQXRO-LBPRGKRZSA-N 276.405 3.518 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CCC[C@H]1CCC(C)C 736400021 IFCYRNZVTNRAMP-STQMWFEESA-N 272.820 3.643 30 20 CHED N#CCOc1ccc(CN2CCC[C@H]2C2CCCC2)cc1 731211739 YRQBYJITHPIANZ-SFHVURJKSA-N 284.403 3.744 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2cccc(Cl)c2F)C1 839064374 WOTUNBCYBZGQQN-JQWIXIFHSA-N 295.741 3.647 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)c1cccc(C2CC2)c1 836311951 SGYJDIOEUAGPLD-NSHDSACASA-N 278.783 3.677 30 20 CHED CC[C@H](C)[C@@H](C=NNc1ccc(F)c(F)c1F)OC 834983031 PNNHBWGZFUWEEW-GZMMTYOYSA-N 274.286 3.563 30 20 CHED C=C(CNC(=O)[C@H]1CCCC1(C)C)c1ccccc1 672479973 RRGZHNAJLZRYEX-OAHLLOKOSA-N 257.377 3.642 30 20 CHED Cc1ccc([C@H](C)NC(=O)/C=C\c2ccccc2C#N)s1 919701413 DKXXXQLSRKPOME-KJJQSCHISA-N 296.395 3.819 30 20 CHED C#CCC1(C(=O)N2CC(C)(C)C[C@H]2C)CCCCC1 839877861 TTWYRJRVGPWPQF-CQSZACIVSA-N 261.409 3.607 30 20 CHED C#CCCCCC(=O)NCCc1ccccc1SCC 830916459 MKDQYHBGCUBSLX-UHFFFAOYSA-N 289.444 3.651 30 20 CHED CC[C@@H](C#N)C(=O)Nc1sc(-c2ccccc2)nc1C 593595476 GTODDOJKWKGAQA-NSHDSACASA-N 285.372 3.607 30 20 CHED N#Cc1ccc(NN=Cc2ccc(N3CCCCC3)o2)cc1 915961301 FFRCDLKSKBLOCE-UHFFFAOYSA-N 294.358 3.588 30 20 CHED CCCCCCCOC(=O)[C@H]1CCCN(C(=O)CCC)C1 918493904 KCMNCQNBIJDTQG-HNNXBMFYSA-N 297.439 3.539 30 20 CHED C#CC[C@@H](OC(=O)Cc1c[nH]c2cccc(C)c12)C(C)C 747192488 HHTDVFRBAUKMOV-MRXNPFEDSA-N 283.371 3.610 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cc(C#N)cs2)c1 748439923 BMZWNXOTNJPCNH-VOTSOKGWSA-N 283.352 3.915 30 20 CHED N#Cc1ccccc1OCCSCC1CC=CC1 596332977 DGQAVLBREYCJDB-UHFFFAOYSA-N 259.374 3.636 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 845623845 SOVDNQWAQAZPPY-AFAVFJNCSA-N 296.370 3.501 30 20 CHED C=C(CNC(=O)c1ccc(OCC)cc1)c1ccccc1 672479892 OMDWGKXRZWTPDG-UHFFFAOYSA-N 281.355 3.529 30 20 CHED CCCCCCCC(=O)Nc1cc([C@H]2C[C@H]2C)[nH]n1 747227091 JCJUQJJYFGTXKF-NEPJUHHUSA-N 263.385 3.832 30 20 CHED CC(C)(C)c1csc(NC(=O)CCCF)c1C#N 598838631 NXKAPPHOIXXEDM-UHFFFAOYSA-N 268.357 3.605 30 20 CHED CCCCCCCCCOC(=O)c1cnn(C)c1C 919048034 RVTNIKKUFHOWNS-UHFFFAOYSA-N 266.385 3.636 30 20 CHED C=CCN(Cc1nc2ccccc2n1C(F)F)C(C)C 917068766 AYYWUHPCKSAXFI-UHFFFAOYSA-N 279.334 3.828 30 20 CHED CCCCNN=C(C)c1ccc(OC(F)(F)F)cc1 915970073 WPJBSVDSFCYVEM-UHFFFAOYSA-N 274.286 3.699 30 20 CHED N#CC[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 595611327 JEYDZDKDONYODS-CQSZACIVSA-N 297.427 3.936 30 20 CHED C=C[C@@H](C)ON=C(CC(F)(F)F)c1ccccc1 844623995 LBIRDFMBCOWVMG-SNVBAGLBSA-N 257.255 3.934 30 20 CHED Cc1ccc2oc(CN[C@@H]3CCC[C@@H](C#N)C3)cc2c1 595085246 JQNIPVKWCRBBGB-UKRRQHHQSA-N 268.360 3.913 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C[C@@H](c1ccccc1)C(C)C 594094934 QXFOXAMHJSGWSO-JKSUJKDBSA-N 272.392 3.577 30 20 CHED CCCCCCCOC(=O)CCc1ccc(O)cc1 919526938 GMBBGPJCNNQAPD-UHFFFAOYSA-N 264.365 3.838 30 20 CHED CC(F)(F)CCC(=O)OCCC1(C#N)CCCCC1 840210229 SHLDGMFHOJPVOK-UHFFFAOYSA-N 273.323 3.829 30 20 CHED C=CCC[C@H](C)OC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F 845315825 OBJIIYRDABBFSS-TUAOUCFPSA-N 294.313 3.632 30 20 CHED CC(Cc1ccccc1C)=NNc1cccc([N+](=O)[O-])c1 743421304 WYVOYSORPAACDG-UHFFFAOYSA-N 283.331 3.934 30 20 CHED CCCCN(C(=O)[C@@H](C#N)CC)[C@@H](C)c1ccccc1 593428260 YRNNQCLREWEMCM-LSDHHAIUSA-N 272.392 3.926 30 20 CHED CC(C)(C#N)CCC[S@@](=O)c1ccc(Cl)c(F)c1 593010035 XCQNJWVGCLHDSC-GOSISDBHSA-N 287.787 3.917 30 20 CHED C/C=C(/CC)C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 847041620 ADUKEROZFSUXSS-VCXBKZMZSA-N 270.376 3.628 30 20 CHED N#CC1(CC(=O)NC2(Cc3ccccc3)CCCCC2)CC1 590328279 DDNCEQVPBKFZMM-UHFFFAOYSA-N 296.414 3.742 30 20 CHED Cc1ccoc1C=NNC(=S)Nc1c(C)cccc1C 743422725 FFRZMXVNTBZCPQ-UHFFFAOYSA-N 287.388 3.525 30 20 CHED C=CCOC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 747026184 STSPDFYVJLAVLO-MRVPVSSYSA-N 259.132 3.826 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H]2CCCC[C@@H]2C)c1 920235286 QQSVOUWEUJPESH-DZGCQCFKSA-N 270.376 3.616 30 20 CHED C=C(Cl)CNC(=O)/C=C(\CC)c1ccc(C)cc1 741694379 CYMXEZLYXCIFJR-UKTHLTGXSA-N 263.768 3.657 30 20 CHED N#CCC1(OC(=O)[C@@H]2CCSc3ccccc32)CCC1 842351826 AIWUNUTUVXUACB-CYBMUJFWSA-N 287.384 3.646 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)CCCC#N)c(C)c1 844660411 GQFGMQKPSNFXKO-UHFFFAOYSA-N 272.392 3.986 30 20 CHED CC1(C)CC(=NNc2cncc(Cl)n2)c2ccccc21 920374844 BMTUXBNQQLRYIV-UHFFFAOYSA-N 286.766 3.628 30 20 CHED N#Cc1csc(C(=O)OCc2cccc3cccnc23)c1 752585840 DKWWIDXAONWILC-UHFFFAOYSA-N 294.335 3.525 30 20 CHED CO[C@@H](C=NNc1nccc2sccc12)C1CCCC1 853294360 MZEOFRCWHQXGCF-ZDUSSCGKSA-N 289.404 3.899 30 20 CHED Fc1ccc(Br)c(F)c1CON=CC1CC1 853736181 PBDGUJGZEWHSEE-UHFFFAOYSA-N 290.107 3.640 30 20 CHED CC(C)c1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1Cl 928217744 DVZVGFQDXIUCBE-GFCCVEGCSA-N 290.794 3.839 30 20 CHED CCC(=NOCC(F)F)c1c(F)cccc1Cl 758903518 KZGIYWVBZVOAOJ-UHFFFAOYSA-N 265.662 3.875 30 20 CHED Cc1cc(C(=O)O[C@H](C)CC(C)(C)C#N)c(C)s1 851212502 KZMZIURZLJCYKF-SECBINFHSA-N 265.378 3.850 30 20 CHED CCCCCCCNc1ccn(-c2ncccc2F)n1 759123475 GZZPUMDVIRLNNR-UHFFFAOYSA-N 276.359 3.789 30 20 CHED C=CCc1ccc(OCCC2SCCS2)c(OC)c1 853645247 TVLCMWCABZGIOZ-UHFFFAOYSA-N 296.457 3.999 30 20 CHED CC(=O)c1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)c(F)c1 851205789 KBUGGLJCYVLBOP-JTQLQIEISA-N 291.322 3.513 30 20 CHED N#Cc1cccc(NC(=O)NCCC2CCCCC2)c1 48473416 IPHURRZRVJDFFI-UHFFFAOYSA-N 271.364 3.650 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2ccccc2F)c1 757465267 KUKDJAKSZASJGR-CMDGGOBGSA-N 281.286 3.624 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)c1 850472919 QZCUFOLTYDZALM-HNNXBMFYSA-N 291.394 3.844 30 20 CHED C#C[C@@H](CC)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 754389767 JXPPAHBIOQDJID-MFKMUULPSA-N 298.213 3.700 30 20 CHED Cc1cccc(NN=Cc2ccc(O[C@@H]3CCOC3)cc2)c1 853257957 FXEIVRNWEIQOEF-GOSISDBHSA-N 296.370 3.609 30 20 CHED FC(F)(F)CON=Cc1nc(-c2ccccc2)cs1 755799151 VEUDTCLGQMYVTF-UHFFFAOYSA-N 286.278 3.723 30 20 CHED CCc1cccc2c(C=NO[C@@H]3CCCCO3)c[nH]c12 755818382 CABGNPOZPUMUQU-OAHLLOKOSA-N 272.348 3.607 30 20 CHED C=CCC[C@H](OC(=O)c1ccc2c(c1)CCOC2)C1CC1 850903515 FYYPBTAHSXMJNM-KRWDZBQOSA-N 286.371 3.661 30 20 CHED CC1(C#N)CCC(=NNc2ccc(Cl)cn2)CC1 853436352 XSMXTAFKDUYMQP-UHFFFAOYSA-N 262.744 3.607 30 20 CHED CN1/C(=C\C=NOCC(F)F)C(C)(C)c2ccccc21 758906051 AGACQXBIUHGKDA-FSXHMEFGSA-N 280.318 3.565 30 20 CHED CC(C)(C)C#CCOC(=O)CC[C@H]1CC1(Cl)Cl 851008484 QROQVILSVPVASW-JTQLQIEISA-N 277.191 3.553 30 20 CHED C#CC[C@H](NCc1cc(Cl)ccc1O)c1ccccc1 756997035 UDMSCIRPKPQUDD-INIZCTEOSA-N 285.774 3.900 30 20 CHED Cc1cc(Cl)ccc1CON=C1CCCOCC1 768930469 YAAQKDVFBQKICM-UHFFFAOYSA-N 267.756 3.722 30 20 CHED C=CCOCSc1nnc(SCCCC)s1 865348286 KLFPOIFPZHIEDT-UHFFFAOYSA-N 276.452 3.683 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CC[C@@H]2c2ccccc2)c1 769764034 VNCXPNRTKKOFFB-OAHLLOKOSA-N 281.315 3.940 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(O)c(C)c1 761885101 PQRCABPHIWRQOA-UHFFFAOYSA-N 288.322 3.684 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1sccc1C#N 931843491 RFLMIUWTWABTBP-NTZNESFSSA-N 289.404 3.805 30 20 CHED C=CCN(C(=O)[C@@H]1CCO[C@H](C(C)C)C1)c1ccccc1 936033731 JFFWAKGHLQLYPY-WBVHZDCISA-N 287.403 3.657 30 20 CHED CO[C@@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 764613389 MMAKCYFDXBKTQJ-SUMWQHHRSA-N 295.338 3.550 30 20 CHED C#CCCCSC[C@@H](OC)c1ccc(F)cc1 863395940 HPAKZNSYJKDRID-CQSZACIVSA-N 252.354 3.660 30 20 CHED Cc1cccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)c1C#N 863690285 OPVRZCOKQYKMMQ-IFXJQAMLSA-N 292.382 3.583 30 20 CHED Cc1cc(=NN=C2CC[C@H](c3ccccc3)C2)cc[nH]1 863159745 ZOEJKJBWPHZZCJ-HNNXBMFYSA-N 265.360 3.548 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 767997889 UVLOLOHEPZNREW-OFQRWUPVSA-N 297.398 3.967 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CC[C@@H]2SCCS[C@H]21 773139198 SQOPRFJMRDNLLF-HPCHECBXSA-N 271.495 3.556 30 20 CHED C#CCCCCCC(=O)Nc1cccc(CN2CCCC2)c1 1116512795 BIWSZUNQQGEBET-UHFFFAOYSA-N 298.430 3.805 30 20 CHED Clc1cscc1C=Nn1cnc2ccccc21 771886085 ZATXBHLUJLYAQO-UHFFFAOYSA-N 261.737 3.633 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H](C)Cc1cccs1 878965027 SBPJEZZTIGVSJN-LBPRGKRZSA-N 265.422 3.645 30 20 CHED N#C[C@@H](OC(=O)c1ccc(Cl)cc1)C1CCCCC1 776360859 YRTAAJQOUMXBJA-CQSZACIVSA-N 277.751 3.969 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(SC(F)F)cc1 776295576 RFVREUJZIJQOHA-UHFFFAOYSA-N 284.331 3.535 30 20 CHED Clc1cccc(C#CCSc2nccs2)c1 772847974 HIRBDMCLGNSAAN-UHFFFAOYSA-N 265.790 3.940 30 20 CHED C#CCCCCCCNCCc1nc2c(C)cccc2o1 877065959 YFCQDBLHVFOJAQ-UHFFFAOYSA-N 284.403 3.852 30 20 CHED CC(=NNc1ccccc1F)c1ccc(C#N)c(F)c1 776764729 VFGCPCPOVQWLLL-UHFFFAOYSA-N 271.270 3.673 30 20 CHED C=CCN(C[C@H](O)c1ccc(Cl)cc1Cl)C1CC1 772382275 PNQLPOYQFAWRHZ-AWEZNQCLSA-N 286.202 3.677 30 20 CHED Cc1cccc(C(=O)OCc2ccc(CC#N)cc2)c1C 776112008 QMJFARJGYYEOOD-UHFFFAOYSA-N 279.339 3.727 30 20 CHED N#CC1(COC(=O)C2(c3cccc(Cl)c3)CCC2)CC1 775837038 USMLHCKSZYFKEK-UHFFFAOYSA-N 289.762 3.609 30 20 CHED C#CCCCCCC(=O)N1CCC2(CCCC2)CC1 779918536 VVQMAUMQGQQSNI-UHFFFAOYSA-N 261.409 3.753 30 20 CHED N#Cc1c(F)cccc1OCc1ccc2c(c1)CCC2 133644576 OHZDALBLXHVZGD-UHFFFAOYSA-N 267.303 3.765 30 20 CHED C=CCOc1cccnc1C(=O)OCCC(C)(C)CC 775107962 SRJIEVXYMRKMAF-UHFFFAOYSA-N 277.364 3.630 30 20 CHED N#C[C@H](C(=O)c1ccc(C2CCC2)cc1)c1cccc(F)n1 1122720623 KKWYSAFJXNCSND-HNNXBMFYSA-N 294.329 3.978 30 20 CHED C#CCOc1ccccc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 775942741 LITGCARNUSOZTG-ZIAGYGMSSA-N 285.387 3.709 30 20 CHED CC(C)c1nccnc1NN=C1CCc2ccccc2C1 773077180 DANIVLQROYWQOX-UHFFFAOYSA-N 280.375 3.557 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@@H]1[C@@H](C)C1(F)F)c1cccs1 1123266969 LVQVXWYCSFEFDW-LSKIRQOJSA-N 299.342 3.783 30 20 CHED C=CC(C)(C)CC(=O)NC(C)(C)c1cccs1 880260170 NNIPKWBOHILNOU-UHFFFAOYSA-N 251.395 3.702 30 20 CHED C=C1CCC(C(=O)OCc2nc(-c3ccccc3)no2)CC1 885655910 SUGHSVAUCXAXLE-UHFFFAOYSA-N 298.342 3.526 30 20 CHED COc1ccc2cc(C(C)=NN=c3cc[nH]cc3)ccc2c1 779811212 MVWBJZRGIIBMPX-UHFFFAOYSA-N 291.354 3.501 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cn1)c1ccc(OC)cc1 783294400 PSODGJILBCOZEP-GOSISDBHSA-N 295.386 3.593 30 20 CHED CCc1ccccc1CC(=O)OCc1ccc(C#N)cc1C 785831190 IJQOMFAILAIBJY-UHFFFAOYSA-N 293.366 3.715 30 20 CHED C=C(C)COC(=O)c1ccc(C(F)(F)F)c(F)c1 784247591 RUVOWJGTUMUSRJ-UHFFFAOYSA-N 262.202 3.577 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1ccc(Cl)s1 1123481289 ITVIPYAWRMJTSA-UHFFFAOYSA-N 271.813 3.962 30 20 CHED C=C[C@@](C)(CC)C(=O)OC[C@@H]1CCC2(CCCC2)O1 784877008 FHLSRRVQTFDCAW-ZFWWWQNUSA-N 266.381 3.624 30 20 CHED CCCCCCCCCC(=O)NCc1nnc(C)s1 780281261 RCBKNCMODOFGDX-UHFFFAOYSA-N 283.441 3.603 30 20 CHED N#CC1(COc2ccc(Cl)cc2Br)CC1 500766967 KUXONTUDAGJSHJ-UHFFFAOYSA-N 286.556 3.785 30 20 CHED C=CC(C)(C)CC(=O)Nc1nccc2ccc([N+](=O)[O-])cc12 892638669 BXBATPYGTKXYAD-UHFFFAOYSA-N 299.330 3.684 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCOC2(CCOCC2)C1 793546972 HIJSMHZKKBOOQV-DLBZAZTESA-N 295.467 3.829 30 20 CHED C=C1CCC(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)CC1 895488229 WIAVCIHBGYCULE-UHFFFAOYSA-N 281.359 3.762 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(F)cc2C#N)CC1 303669002 YDZXOSXXJNEXJQ-CQSZACIVSA-N 274.383 3.955 30 20 CHED O=C1/C(=C\c2ccsc2Cl)CCc2nc(O)ccc21 790221823 HULKATMBLIYZMS-FPLPWBNLSA-N 291.759 3.715 30 20 CHED C#Cc1cncc(-c2noc([C@H](SCC)C(C)C)n2)c1 896570462 YTCJSZOYQPVZBP-CYBMUJFWSA-N 287.388 3.563 30 20 CHED C=CCC(C)(C)CN[C@H]1CCc2c(OC)cccc21 551242215 YHRKJOWCDFIZFA-HNNXBMFYSA-N 259.393 3.874 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)c1nc(C)no1 793586161 GEVQUFMUVKHIBZ-NWDGAFQWSA-N 251.374 3.554 30 20 CHED N#CC[C@@H]1CCCN(Cc2coc3ccccc23)C1 597177045 MFXOPZOFADHRLI-ZDUSSCGKSA-N 254.333 3.558 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1ncccc1C 790187109 UKJPABWZTQTGCD-UHFFFAOYSA-N 271.339 3.950 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(F)c(F)c1 796454636 GOYFXTPJAHKKCN-UHFFFAOYSA-N 254.276 3.610 30 20 CHED COc1ccc(/C=C/C(=O)c2cccnc2)c(Cl)c1 796973757 ADXHTXBGPCKVEF-FNORWQNLSA-N 273.719 3.640 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1coc(C(C)C)n1 799463604 DPHUITFXMXECLJ-UHFFFAOYSA-N 288.307 3.542 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccccc1-n1ccnn1 794739405 OYXKCGUWPBKHSS-VOTSOKGWSA-N 295.367 3.533 30 20 CHED N#Cc1cc(C(=O)Oc2cccc(Cl)c2F)ccc1F 790969768 QYLFRCFXCMEPCO-UHFFFAOYSA-N 293.656 3.709 30 20 CHED Cc1cc(C=NN[C@@H](C)C(C)(C)C)c(C)n1C1CC1 793117185 WVZNRKNQSJSBBU-ZDUSSCGKSA-N 261.413 3.798 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccnn2C(C)C)c1 794933766 AFPZTYTVNGIXEY-CMDGGOBGSA-N 284.359 3.759 30 20 CHED C=CCCCCN1CCO[C@H](c2ccc(F)c(F)c2)C1 575131931 KBRJFEJOVODINJ-INIZCTEOSA-N 281.346 3.694 30 20 CHED CC1(C)CCC(Nc2ccc(OCC#N)cc2)CC1 79620193 OHDGGWKCVZZTGV-UHFFFAOYSA-N 258.365 3.970 30 20 CHED C#CCCCN(C)Cc1cccc(Cl)c1Cl 766895227 BGAFKYQKAWYUQN-UHFFFAOYSA-N 256.176 3.839 30 20 CHED CC(C)(C)c1csc(CN(CC#N)C2CCCC2)n1 94963992 VFPFRXCWUDQKMM-UHFFFAOYSA-N 277.437 3.709 30 20 CHED C=C(Cl)COC(=O)c1cc2c(F)cccc2s1 796360804 ZZKDLABUPXQUAF-UHFFFAOYSA-N 270.712 3.950 30 20 CHED N#Cc1ccsc1NC(=O)NCc1cc2ccccc2o1 1310956115 CGZLDRDRCHQKBN-UHFFFAOYSA-N 297.339 3.688 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 1162861332 FOUHEULTFWDITC-MORSLUCNSA-N 278.330 3.838 30 20 CHED CC(=NNc1ccc(C)cc1)c1c(C)nc2sccn12 1317804352 CMIRIPSCQPYYOO-UHFFFAOYSA-N 284.388 3.849 30 20 CHED C=CCN(C(=O)Nc1cc(-n2cccc2)ccc1F)C1CC1 1319756946 WGQMIWLWSVPWET-UHFFFAOYSA-N 299.349 3.799 30 20 CHED CCC[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccccn1 1171528160 IIZBDTTZPQHQCC-OAHLLOKOSA-N 297.333 3.615 30 20 CHED C#CCCCCCc1nnc(CCc2ccc(OC)cc2)o1 1327279040 WEAUVYXXRNQIOZ-UHFFFAOYSA-N 298.386 3.600 30 20 CHED Cc1ccc(NN=C[C@@H]2CCSC2)cc1Cl 1320873788 GQKBSDCLVIDKCL-JTQLQIEISA-N 254.786 3.799 30 20 CHED C[C@@H]1CCc2sc(-c3nnc(C#CC4CC4)o3)cc2C1 1329311216 XLHOOQYYQSOEHA-SNVBAGLBSA-N 284.384 3.684 30 20 CHED N#Cc1ccc(CCSc2ncccc2Cl)cc1 1188556895 MKLKEKKSMKICMB-UHFFFAOYSA-N 274.776 3.941 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)CC#Cc1ccccc1 1256639049 NUQVAENVJWBSNF-INIZCTEOSA-N 283.415 3.855 30 20 CHED CC(C)(C#N)CCOC(=O)C1C[C@H]2CCC[C@H](C1)C2 1255927786 PQZOFLIHMXPNJR-STQMWFEESA-N 263.381 3.686 30 20 CHED CCC[C@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl 1337481292 FRZUDMOWPDHWJG-LBPRGKRZSA-N 276.767 3.616 30 20 CHED C=C1CCC(C(=O)N[C@H](c2ncc(C)s2)C2CC2)CC1 1262107699 WNNYLIWDHDKOSA-AWEZNQCLSA-N 290.432 3.765 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ncccc1CSC 1340947832 DSCUZSXTBYSDOA-CQSZACIVSA-N 290.432 3.515 30 20 CHED C=C(CC)C(=O)Nc1cc(SC)ccc1Cl 1348863894 OFCFSOAGFYMQBY-UHFFFAOYSA-N 255.770 3.967 30 20 CHED CC(C)CCC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1 1344534129 UIGBJUQNVXZRIT-MRXNPFEDSA-N 295.386 3.544 30 20 CHED C=CCn1c([C@H]2CC=CCC2)nnc1N1CCC2(CCC2)C1 1342372035 MTEWREHCZVTUIW-HNNXBMFYSA-N 298.434 3.668 30 20 CHED N#C[C@H](NC(=O)Cc1ccc2ccccc2c1)C1CCCC1 1353576492 SPTKGRQTRBXPNT-SFHVURJKSA-N 292.382 3.581 30 20 CHED Cc1c(Cl)cccc1C(=O)N(C)c1ccccc1C#N 219680865 HMCHSCOBBJUBRE-UHFFFAOYSA-N 284.746 3.797 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC[C@H](C)c1ccccc1 1524364204 LQWDMOFEKHPCQR-AWEZNQCLSA-N 292.382 3.790 30 20 CHED CC(C)n1ncc2cc(Nc3ncc(C#N)cc3F)ccc21 1458183353 UGXXIDZMPFGLMD-UHFFFAOYSA-N 295.321 3.767 30 20 CHED N#Cc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)nc1 226459038 IPPDBYIYSWZCLG-UHFFFAOYSA-N 282.196 3.903 30 20 CHED N#Cc1cc(NC(=O)c2ccc(Cl)s2)c(F)cc1F 1535869098 ZKQSIKIWDCXFST-UHFFFAOYSA-N 298.701 3.804 30 20 CHED C=C(Cl)CN1CCN(Cc2ccccc2)[C@@H](CCC)C1 1473305676 LUDVIRHZJVGVIK-KRWDZBQOSA-N 292.854 3.725 30 20 CHED CO[C@@H]1CCC[C@@H](Sc2ccc(C#N)cc2F)C1 1613565905 KQZQGBSPPBZRJU-VXGBXAGGSA-N 265.353 3.747 30 20 CHED N#Cc1ccc(C(=O)Nc2cncc(Cl)c2)cc1Cl 1626014003 LXBCTAYXMUNPRM-UHFFFAOYSA-N 292.125 3.512 30 20 CHED COc1cccc([C@@H](C)NCC(C)(C)CCC#N)c1 229690198 BVVPJLQCWMGCMV-CYBMUJFWSA-N 260.381 3.676 30 20 CHED COc1ccccc1C[C@H](C)NCC(C)(C)CCC#N 229691042 IVRXEDVINNSKIC-AWEZNQCLSA-N 274.408 3.546 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)c2ccccc21 1560047311 CKSGEEAUOSNPQL-UHFFFAOYSA-N 280.346 3.995 30 20 CHED CC(C)(C)CC(C)(C)NCCc1ccc(C#N)cc1 1652446019 YGMLFCRJKFTODX-UHFFFAOYSA-N 258.409 3.905 30 20 CHED C#CCCCCNc1ccc(C(F)(F)F)c(C#N)c1 231718415 GWPBUQMETCFDLE-UHFFFAOYSA-N 266.266 3.792 30 20 CHED N#Cc1cccnc1NC1(Cc2cccc(Cl)c2)CC1 1655477823 KIBIZLYDBVMBKC-UHFFFAOYSA-N 283.762 3.794 30 20 CHED CC(C)c1occc1C(=O)Nc1cc(C#N)ccc1F 1584674421 IXHUEZWHRSAQBT-UHFFFAOYSA-N 272.279 3.666 30 20 CHED CC[C@H](CNc1ncc(C#N)cc1F)c1ccccc1 1651459580 JPCVOWUBFCESHD-CYBMUJFWSA-N 269.323 3.698 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(C)c1)[C@@H]1CC1(C)C 1662686999 XPJFZIQVSXRGLL-JKSUJKDBSA-N 256.393 3.781 30 20 CHED C=C[C@H](C)NCc1cc(Br)ccc1Cl 124370993 SABIXEVGYLSWDE-QMMMGPOBSA-N 274.589 3.767 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCC(C)(C)C2CC2)C1 1776153096 JXPQBMIBKKSMNF-KRWDZBQOSA-N 279.424 3.556 30 20 CHED CCCC(=NNc1ccc(C(=O)O)cc1)[C@@H]1CC1(C)C 1776013185 LNVUZZHCQNCTJB-ZDUSSCGKSA-N 274.364 3.999 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(F)c(C(=O)O)c2)oc1C 1777417919 BLMOUVUNVWZFBK-GQCTYLIASA-N 288.274 3.630 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(F)c(C(=O)O)c1)C2=O 1777456008 XNGAEFYTOKQPPQ-KPKJPENVSA-N 296.297 3.655 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccc(C#N)cc2)n1 150938650 RUCAYXCYCZZAPH-QGZVFWFLSA-N 263.344 3.603 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)cc1 160015075 WTOWKTVRAHEGKZ-ZIAGYGMSSA-N 282.368 3.670 30 20 CHED C=CCCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 160975270 HUEJQVMUOWYPGE-UHFFFAOYSA-N 283.356 3.586 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H](SCC)C1 151256928 LGIFSPKQVBOSIJ-GJZGRUSLSA-N 281.465 3.935 30 20 CHED CC(C)(CCC#N)CNc1ccn(Cc2ccccc2)n1 151400978 XVWNHOJDHXYGQT-UHFFFAOYSA-N 282.391 3.673 30 20 CHED CCN(C(=O)c1ccc(SC)o1)c1ccc(C#N)cc1 152171856 IQBVKONDQMBQKH-UHFFFAOYSA-N 286.356 3.540 30 20 CHED CSc1ccsc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 152191553 IJUGEJRCIUMJFO-IINYFYTJSA-N 294.445 3.672 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@H](C3CC3)C2)CC1 153022588 QJWQDXGNKGVDDX-WMZOPIPTSA-N 276.468 3.585 30 20 CHED Cc1ccc(CNCc2ccc(C#N)cc2)cc1Cl 235886030 LAQIWRIXSBLCMQ-UHFFFAOYSA-N 270.763 3.810 30 20 CHED CC(C)N(Cc1cccs1)C(=O)c1cccc(C#N)c1 42355787 NDRGWTVJSXVIPD-UHFFFAOYSA-N 284.384 3.671 30 20 CHED N#Cc1ccc(COc2ccc3c(c2)OCO3)c(Cl)c1 162976326 BRZGBZGXJDBTBJ-UHFFFAOYSA-N 287.702 3.519 30 20 CHED CC(C)(C#N)CCCCN1CCc2ccsc2C1 277755936 PXZZDSQINMVCPJ-UHFFFAOYSA-N 262.422 3.826 30 20 CHED C=CCOc1ccccc1CNCc1ccc(C)s1 48068731 AECAGHBEPUEWEK-UHFFFAOYSA-N 273.401 3.911 30 20 CHED CN(Cc1ccccc1C#N)C1CCC(F)(F)CC1 287086509 WUCQOLCDQVVVCP-UHFFFAOYSA-N 264.319 3.568 30 20 CHED CCN(Cc1ccc(Cl)c(C)c1)C[C@@H](C)C#N 180423354 AAWNLVTZNOPYFE-NSHDSACASA-N 250.773 3.630 30 20 CHED CCSCC[C@H](C)Nc1nccc(C#N)c1Cl 300265965 NOMTUSRUDTVZSX-VIFPVBQESA-N 269.801 3.550 30 20 CHED CCc1ccccc1C(=O)Nc1cc(C)cc(C#N)c1 308126936 FAOJQOWWZNZTDQ-UHFFFAOYSA-N 264.328 3.681 30 20 CHED N#CC1(C(=O)NCc2c(Cl)cccc2Cl)CCCC1 603524059 LBGIXJTXAOJXQS-UHFFFAOYSA-N 297.185 3.694 30 20 CHED C=CC[C@H](CC)NCc1cc(OC)ccc1Br 393801791 MIEPOUKIFPUVKO-LBPRGKRZSA-N 298.224 3.902 30 20 CHED CC[C@@H](Nc1ccc(OCC#N)cc1)[C@H]1CC1(C)C 397661407 FKNIAMHKIGVAFG-HUUCEWRRSA-N 258.365 3.826 30 20 CHED CCCCCCCOc1ccc(CNCCC(=O)O)cc1 59615045 LOPCYUOSCLTLHL-UHFFFAOYSA-N 293.407 3.600 30 20 CHED C=C(Cl)CSc1nnc(-c2ccccc2C)o1 57652502 VZVQWKKSEPCPKR-UHFFFAOYSA-N 266.753 3.890 30 20 CHED CC(C)(C)CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 175007623 JMZZEZZSZBSDKU-UHFFFAOYSA-N 297.320 3.609 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 102230564 KIJZOAFVZAGTKJ-UHFFFAOYSA-N 286.306 3.918 30 20 CHED C#CCN(Cc1cc(C#N)cs1)[C@@H]1CCc2ccccc21 179204312 HHUNVLCKQXMENE-GOSISDBHSA-N 292.407 3.742 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H](C)C2CC2)c1 171274768 YYMIRFCISIQOKU-GFCCVEGCSA-N 274.364 3.562 30 20 CHED CCCCC[C@H](C)NC(=O)CSc1ccccc1C#N 172679899 GGXHFNIPWDIUKJ-ZDUSSCGKSA-N 290.432 3.735 30 20 CHED COc1cc(C#N)cc(Cl)c1OCc1ncc(C)s1 179891094 RWOYOOISZUZWLE-UHFFFAOYSA-N 294.763 3.564 30 20 CHED C[C@@H](C#N)NC(=O)c1cc(-c2ccccc2)ccc1Cl 110666799 AAUBRCDVRDXXMM-NSHDSACASA-N 284.746 3.649 30 20 CHED CCC(CC)CN(CCC#N)C[C@@H](O)c1ccccc1F 173553465 FEHFOVYNFHQMEY-QGZVFWFLSA-N 292.398 3.511 30 20 CHED N#Cc1cccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)c1 110571117 RULGQICADCNXKL-ROUUACIJSA-N 290.366 3.624 30 20 CHED Cc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1C 60212563 NGAFQDMTSALQAG-BQYQJAHWSA-N 268.360 3.977 30 20 CHED C[C@@H](CC(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 176570268 LREWJRWQHJMFGA-YOEHRIQHSA-N 284.403 3.769 30 20 CHED N#Cc1csc(CNC2(c3ccccc3)CCC2)c1 177693132 HWXSLDPSIISAQC-UHFFFAOYSA-N 268.385 3.789 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cc(C#N)cs1)C2 176844414 LRQOJXRYKJBYQX-QPEQYQDCSA-N 265.337 3.751 30 20 CHED C[C@H](Cc1ccc(F)cc1)N[C@H](C)c1ccc(C#N)cc1 62038240 HHMGMFVTGWNKMW-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED C=CCCC(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCCCC2 303948850 SPUWHYSRBKOQHZ-HUUCEWRRSA-N 279.424 3.539 30 20 CHED N#CCCCCNC(=O)c1ccc(CCC(F)(F)F)cc1 178527484 ZJQPAXARZNWNIZ-UHFFFAOYSA-N 298.308 3.605 30 20 CHED C=CCCCC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 179230310 AKARZJPTTIYDSD-ZDUSSCGKSA-N 293.794 3.676 30 20 CHED CC(=O)c1ccccc1OCCSCCCCC#N 178386109 SLFHZJIQHQBACE-UHFFFAOYSA-N 277.389 3.695 30 20 CHED C[C@H](C#N)OC(=O)c1csc(-c2cccc(Cl)c2)n1 26681935 TZMVQCNPCYJNOC-MRVPVSSYSA-N 292.747 3.532 30 20 CHED CC(C)c1ccc([C@H]2CCCN2c2ccc(C#N)nn2)cc1 301969705 QQWNSRWQQMTCFF-QGZVFWFLSA-N 292.386 3.813 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1cc2ccccc2o1 301266334 HYJGXHXGTKNWON-LLVKDONJSA-N 263.300 3.873 30 20 CHED C/C=C(\C)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 179354423 BMROCOZLAWNENW-TWXILYBASA-N 282.368 3.953 30 20 CHED Cc1cc([C@H](C)NC(=O)Nc2ccc(C#N)cc2)c(C)o1 67527996 GJJZSONHVLPEFG-NSHDSACASA-N 283.331 3.651 30 20 CHED CN(CC#N)C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 120347698 QJBMMIGJMQOZRP-UHFFFAOYSA-N 292.382 3.613 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1CCCc1ccccc1 301716105 XIQCSXLYTDIZSL-GOSISDBHSA-N 291.398 3.945 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CSCCC 303426478 CBRUXNXTRAAOAG-UHFFFAOYSA-N 269.454 3.725 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C2SCCS2)cc1 180430855 JRDNJQZYWGKDRK-UHFFFAOYSA-N 293.457 3.813 30 20 CHED CSCC[C@H](C)NCc1cccc(OCCCC#N)c1 76771711 VPQAEUAWNHESFX-AWEZNQCLSA-N 292.448 3.600 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H](C)CC)c1ccc(F)c(F)c1 186041153 RUKRNDHREWHAHU-HZMBPMFUSA-N 267.319 3.744 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 181041831 ABNWYFQTXGFAOP-AWEZNQCLSA-N 260.381 3.582 30 20 CHED C=CC1CCN(Cc2cn(C)nc2-c2cccs2)CC1 180207636 BKBKYVCLBXVDOX-UHFFFAOYSA-N 287.432 3.547 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H](C)CSC)c1 77442281 IQGFMNYGQXIQBL-GFCCVEGCSA-N 294.420 3.515 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 185790992 SVPVVCODMNPACY-QGZVFWFLSA-N 283.415 3.578 30 20 CHED CC(C)(C#N)CC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 503628526 NTCHGMGXOXJAQK-CQSZACIVSA-N 298.430 3.898 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(C#N)cc1OC 121467589 YMEBTAZZGIXUEP-ZDUSSCGKSA-N 292.448 3.530 30 20 CHED C=CCOCCCC(=O)Nc1ccc(Cl)cc1C 79348352 AEUFSZTUNLNAHY-UHFFFAOYSA-N 267.756 3.570 30 20 CHED N#Cc1cnc(NCC2(Sc3ccccc3)CC2)c(F)c1 413135572 FCLOAAMYZFKZOZ-UHFFFAOYSA-N 299.374 3.829 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Cc1cccc(Cl)c1 125744916 YXHAKKQRWNMDJM-MLGOLLRUSA-N 292.810 3.573 30 20 CHED N#Cc1ccc(COc2ccc(F)c(Cl)c2)cc1 70168541 LEGJZQBSDIYIDQ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1cc(F)cc(F)c1 120165733 NEPIDCHVUPWLCC-LLVKDONJSA-N 284.302 3.552 30 20 CHED C=C(C)[C@@H](Nc1ccnc(C)n1)c1ccc(F)c(F)c1 185778396 DRSYUUSDKZIDSY-OAHLLOKOSA-N 275.302 3.793 30 20 CHED CC[C@H](CC#N)OC(=O)c1cccc(-c2ccccn2)c1C 187949044 IWEBAHXNBHIHJE-CQSZACIVSA-N 294.354 3.906 30 20 CHED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1F 185809905 DJAOEACCZQXBGM-ZIAGYGMSSA-N 274.383 3.775 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)Cc1occc1C 413429368 DGFKDOVUKDSHBH-CQSZACIVSA-N 278.396 3.864 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C)c2ccccc12 412378773 MPAASPFETDREKK-MSOLQXFVSA-N 295.382 3.612 30 20 CHED Cc1cc(C)cc(CCN[C@@H]2CCC[C@H](C#N)C2)c1 185838684 DQBONRYSOGAXTJ-DLBZAZTESA-N 256.393 3.518 30 20 CHED C=C(C)COc1cc(CNc2ccc(C)nc2)ccc1OC 128019716 QQSWKMVCOIPOQI-UHFFFAOYSA-N 298.386 3.966 30 20 CHED C=CC[C@@H](CC)NC(=O)CSCc1cccc(C)c1 410130467 MAFACUZBCFESDA-OAHLLOKOSA-N 277.433 3.699 30 20 CHED C[C@@H](CC(F)F)C(=O)Nc1ccccc1SCCC#N 412065207 COZHYSSWCZMRKN-JTQLQIEISA-N 298.358 3.922 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 180447938 SEPSLRDUKZULEA-KBPBESRZSA-N 297.320 3.843 30 20 CHED C=CCSCCNC(=O)N1CCC[C@H]1[C@@H](C)CCC 509172655 ZJRAMIBCEFRCGY-KBPBESRZSA-N 284.469 3.516 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(F)cc(F)cc1F 182581336 AYULZFHQSFAWJG-SECBINFHSA-N 271.282 3.579 30 20 CHED Cc1ccc(C#N)c(N2CC[C@@H](Cc3ccccc3)[C@@H]2C)n1 500262773 PBUSDDPMDGHMRM-RDJZCZTQSA-N 291.398 3.719 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(-c2c(F)cccc2F)o1 509783560 QQLXQJWJAQGAIR-LLVKDONJSA-N 290.313 3.816 30 20 CHED CN(C(=O)CCCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 416004315 GQXJMEHCXJUMJB-DLBZAZTESA-N 284.403 3.865 30 20 CHED Cc1cccc([C@@H]2CCCCCN2C(=O)NC[C@H](C)C#N)c1 182760125 UCXWZODOPVULTM-WBVHZDCISA-N 299.418 3.781 30 20 CHED C[C@@H](CCC#N)N1CC[C@@](F)(c2cccc(Cl)c2)C1 411693853 MSLGASBAVHYNCD-WFASDCNBSA-N 280.774 3.903 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(F)cc1Cl 181498831 DFFWQOUNPZEUEA-UHFFFAOYSA-N 256.708 3.519 30 20 CHED Cc1nc(Sc2c(C#N)nnc3ccccc23)sc1C 78447411 ZATKGDXOLKJLEK-UHFFFAOYSA-N 298.396 3.726 30 20 CHED CC[C@@H](CC#N)NC(=O)C[C@H](c1ccccc1)C(C)C 183863098 BQVMDCMPRRHDDC-HOTGVXAUSA-N 272.392 3.625 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)c1cccc(Cl)c1 410831081 XTELHSIAPFNCOO-SMDDNHRTSA-N 278.783 3.594 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 135713455 WZOJDHMMMFCFLF-CHWSQXEVSA-N 260.381 3.650 30 20 CHED CC[C@@H](Nc1ncccc1C#N)c1ccc(F)cc1F 77987018 SZIZLQJAUGDHDC-CQSZACIVSA-N 273.286 3.795 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCCN(Cc2ccccc2)C1 174266061 WSDBOSQTUQHEMW-GOSISDBHSA-N 299.462 3.571 30 20 CHED C[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1Cl 42347334 JMLKZIPDUMYHRT-LBPRGKRZSA-N 298.773 3.897 30 20 CHED Cc1cccc(NC(=O)C2(C#N)CCCC2)c1Cl 73346135 AMEHQRDSCQSETR-UHFFFAOYSA-N 262.740 3.671 30 20 CHED CN(CC(C)(C)C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416662302 OEFZFOMOWAFUGI-MRXNPFEDSA-N 299.418 3.623 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCSC2(CCC2)CC1 413582506 RTEHABXZTPRKLQ-UHFFFAOYSA-N 296.480 3.660 30 20 CHED CS[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1 415382916 BFMIZSNSPRLUSG-BBRMVZONSA-N 290.432 3.535 30 20 CHED Cc1ccccc1S(=O)(=O)CCC1(C#N)CCCCC1 414200080 ARPFTKYKMGDSIS-UHFFFAOYSA-N 291.416 3.633 30 20 CHED C=CCC[C@H](N[C@H]1CCOC[C@H]1C)c1ccccc1 195079570 DPUDBVYDAVQVGU-PVAVHDDUSA-N 259.393 3.709 30 20 CHED C=C[C@](C)(CC)C(=O)NC12CC3CC(CC(C3)C1)C2 191790553 IVSGYFYNPBTLPQ-QUZGTJOHSA-N 261.409 3.674 30 20 CHED OC1=N[C@H](C/C(O)=N/C23CC4CC(CC(C4)C2)C3)CCC1 329432510 HXEGURWOPJBQOC-ZZTKBFGJSA-N 290.407 3.811 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N2CCc3c(C#N)cccc32)C1 421652757 UNAIHJRJELRQBX-ZIAGYGMSSA-N 282.387 3.664 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H](CC)C2)c1 132466907 ZPKPLTRSCFDDKV-CYBMUJFWSA-N 274.364 3.515 30 20 CHED CCOc1cc(/C=C/C(=O)C2CCCCC2)ccc1O 195255033 KGKAOPOLWOZGPG-CSKARUKUSA-N 274.360 3.954 30 20 CHED C=C(C)CNC(=O)Nc1ccc(F)cc1OC(C)(C)C 429525541 AAOMFYFZWSYTAD-UHFFFAOYSA-N 280.343 3.701 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N2CCc3c(C#N)cccc32)C[C@H]1C 421655552 HJASDSWRJRNAIY-MGPQQGTHSA-N 282.387 3.520 30 20 CHED Cc1c(F)cccc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 421447367 MYIVHUOSBZREPI-UHFFFAOYSA-N 299.349 3.815 30 20 CHED COc1ccccc1/C=C\C(=O)c1sccc1OC 222638474 CGEUQRZLBBIREJ-FPLPWBNLSA-N 274.341 3.661 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cccc(-c2ccoc2)c1 89779345 ZRUSVDSBECWJCH-CYBMUJFWSA-N 282.343 3.568 30 20 CHED N#Cc1c(F)cccc1COc1ccc([C@H]2CCOC2)cc1 427516951 QKGREKXEWPNRFW-AWEZNQCLSA-N 297.329 3.780 30 20 CHED C#CCCCC(=O)OCc1nc(-c2ccccc2)cs1 192182630 IVJKIOFRTOELGN-UHFFFAOYSA-N 285.368 3.657 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(Cl)c1F 192664863 IRSBUKQGUGEMKC-UHFFFAOYSA-N 268.719 3.685 30 20 CHED CC[C@@H](C(=O)N[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 84186796 QZDFMMRHYWRIME-ZWNOBZJWSA-N 298.308 3.617 30 20 CHED CN(Cc1c(Cl)cccc1Cl)c1ccc(C#N)cn1 519887593 ADAQPXTXBMOCID-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc2cccc(Cl)c2s1 335533655 FKYWEGNKSSAFQS-VIFPVBQESA-N 292.791 3.929 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)CCCC1(C#N)CCOCC1 337206817 NGRCUBWWSPKGBJ-HOTGVXAUSA-N 278.440 3.597 30 20 CHED CC(=O)c1ccc(/C(O)=N/[C@@H]2CCC[C@H](C)[C@@H]2C)cc1O 331309269 BNINSPNZXFEFMO-ZIBATOQPSA-N 289.375 3.724 30 20 CHED Cc1noc(C)c1/C=C1\CCc2ccccc2C1=O 192765135 USNARSVGQSXPCH-UKTHLTGXSA-N 253.301 3.504 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(O)=Nc1cnn([C@H](C)CC)c1C 331120096 LXCVHUZVESKQTK-MBNYWOFBSA-N 292.427 3.971 30 20 CHED CN(Cc1ccc(Br)cc1C#N)C1CCCC1 383369217 WOLRUOKQRFQZID-UHFFFAOYSA-N 293.208 3.695 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1scnc1C1CCCC1 339170556 YFBSKDFRCQPMLW-GFCCVEGCSA-N 291.420 3.565 30 20 CHED N#CCN(CCOc1ccc(F)cc1Cl)C1CCCC1 91672184 HBYITHYIBFODJP-UHFFFAOYSA-N 296.773 3.626 30 20 CHED C=C(C)[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C)OCC 339354135 CVXZWWORPCFIJF-YOEHRIQHSA-N 287.403 3.504 30 20 CHED C=CCNC(=O)c1ccccc1NCc1cc(C)cc(C)c1 96980514 MHCQXRCFLMYBPR-UHFFFAOYSA-N 294.398 3.831 30 20 CHED CC(C)(CCC#N)CN1CCc2cccc(F)c2C1 93454347 FVKKZVBXNAHVGJ-UHFFFAOYSA-N 260.356 3.514 30 20 CHED Cc1cncc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 91208989 LLWQCFYEFBEXAB-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H](c1ccccc1)C(C)C 435742257 MRIWRDAUBBYIRA-QRVBRYPASA-N 287.447 3.997 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1ccc(F)c(F)c1 330769033 YWSMDHPQURPONA-CQSZACIVSA-N 266.291 3.598 30 20 CHED CC(C)N(Cc1cc(C#N)n(C)c1)[C@H](C)c1ccccc1 430099601 KOOJMPYNAQMUAV-OAHLLOKOSA-N 281.403 3.868 30 20 CHED C#CCCOc1ccc(CN[C@H](C)Cc2cccs2)cc1 237579443 CVWJENMDNYPAGP-OAHLLOKOSA-N 299.439 3.871 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCCc2ccccc21)OCC 339353102 AIZMLLPFSAXESL-KRWDZBQOSA-N 287.403 3.727 30 20 CHED N#CC1(NC(=O)c2coc3cc(F)ccc23)CCCCC1 332338061 RPJSOOQQAVDYST-UHFFFAOYSA-N 286.306 3.528 30 20 CHED C=CCc1ccccc1OCc1ncn(-c2ccccc2)n1 92310519 SJLKQTISSVRDGF-UHFFFAOYSA-N 291.354 3.575 30 20 CHED C=CCn1c(C)nnc1SC[C@H]1CCC[C@@H](C)C1 92199059 MXWWDHAPYKCHTD-YPMHNXCESA-N 265.426 3.691 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(OC(C)C)cc1F 528319991 ZFJKXGMXVIXVED-UHFFFAOYSA-N 292.354 3.881 30 20 CHED C[C@@H](NCCCCN1CCCC[C@H]1C)c1ccc(C#N)cc1 245896688 NEWIUGVUFIALQE-IAGOWNOFSA-N 299.462 3.863 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 245924374 RZDXOUQOIRDXKM-JKIFEVAISA-N 296.414 3.796 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)NC1(C#N)CCCCC1 523354821 OGHMFDHIMUUWMK-KBPBESRZSA-N 262.397 3.545 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc(Cl)c(F)c1 348816185 ZBWWOWBYWBRBHK-UHFFFAOYSA-N 297.761 3.931 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)o1 430589820 FRPWSAIXVUXGPU-SNVBAGLBSA-N 288.372 3.832 30 20 CHED C[C@H](C(=O)Nc1ccccc1CC#N)c1ccsc1 344334394 GHCRJVFVCIYOFV-NSHDSACASA-N 270.357 3.556 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1CCC 604898346 RJMHJGOVVGVHED-MELADBBJSA-N 252.402 3.609 30 20 CHED C[C@H](O)CN(CC#Cc1cccc(Cl)c1)c1ccccc1 438066773 MLMIKRUEUCBZMB-HNNXBMFYSA-N 299.801 3.579 30 20 CHED C[C@H](Sc1cc(C#N)ccn1)c1cccc(F)c1 340598808 AEJRHEOWSPYJBB-JTQLQIEISA-N 258.321 3.946 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CC(C)(C)Cc2occc21 436311012 WLDDFDFWFDAJGA-LXZKKBNFSA-N 289.419 3.864 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(OC(F)F)ccc1F 529257506 NCMHBZPLGDHPDO-SECBINFHSA-N 287.281 3.512 30 20 CHED C=CCCCS[C@H](C)C(=O)N1CCc2ccccc21 522757507 KLIHKPWSAOHODK-CYBMUJFWSA-N 275.417 3.664 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1 182842702 GYSYNEXDKQMASG-CYBMUJFWSA-N 271.364 3.619 30 20 CHED N#Cc1cccc(C2(C(=O)Nc3cccc(Cl)c3)CC2)c1 435040292 CZRXASXHVILYFD-UHFFFAOYSA-N 296.757 3.882 30 20 CHED CCCCC1CCC(C(=O)N[C@@H](CC)CC#N)CC1 54177358 FAHIQDFNQIJCOS-NRXISQOPSA-N 264.413 3.791 30 20 CHED C=CCn1c(SC[C@@H]2CCCOC2)nc2ccccc21 533201675 GVLQJSYEMAMUIO-CYBMUJFWSA-N 288.416 3.741 30 20 CHED CC1(C#N)CCC(NCCc2cc(F)cc(F)c2)CC1 449117802 QIBNBLFUNIVJLU-UHFFFAOYSA-N 278.346 3.569 30 20 CHED Cc1ccc(F)c(-c2noc(-c3cc(C#N)cs3)n2)c1 445453142 BXDDKNSZOFBKOM-UHFFFAOYSA-N 285.303 3.784 30 20 CHED Cc1cc(CNc2ccc(CN(C)C)cc2)ccc1C#N 443990286 NNWNYXGVQGNXBJ-UHFFFAOYSA-N 279.387 3.540 30 20 CHED COc1ccccc1CN(C)[C@@H](C)c1ccc(C#N)cc1 265453166 DRAWTFASABNLHG-AWEZNQCLSA-N 280.371 3.760 30 20 CHED CC(C)[C@@H](C)N(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1 264498949 FVCDBVPZBJVWQZ-ZIAGYGMSSA-N 299.418 3.838 30 20 CHED C=C(CC)CNC1CC(c2cc(F)cc(F)c2)C1 449737071 YGYUKZKQPQINJH-UHFFFAOYSA-N 251.320 3.767 30 20 CHED N#CCn1c(/C=C/c2ccsc2)nc2ccccc21 352022348 XKPZHBIEIQXZPW-AATRIKPKSA-N 265.341 3.792 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnccc1C 269649562 UWPGLWZCMWGBQV-UHFFFAOYSA-N 259.397 3.542 30 20 CHED CCCC1CCC(NC(=O)N2CCC[C@@](C)(C#N)C2)CC1 612358637 PQVRQLGGIOJPNS-DQPZFDDXSA-N 291.439 3.681 30 20 CHED N#Cc1ccc(F)cc1CN1CCC[C@H]1c1ccc(O)cc1 610728653 JXDSZJVJWFZPSP-SFHVURJKSA-N 296.345 3.740 30 20 CHED CCc1cccc(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 447904500 QKHDZTGWXAKGPO-OALUTQOASA-N 298.430 3.676 30 20 CHED C[C@H]1[C@H](C)CCN1c1c(C#N)cnc2c(F)ccc(F)c12 610588357 FBCAWNXVHVZVDJ-ZJUUUORDSA-N 287.313 3.619 30 20 CHED C=CC[C@H](CO)CN[C@@H](CCC)C1CCCCC1 537095285 RVTXZYOAJWKIQB-HOCLYGCPSA-N 253.430 3.510 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCCCc1cccs1 537663560 PSVHNWKDJYVJOL-UHFFFAOYSA-N 299.399 3.683 30 20 CHED CC(=NN1CCOCC1)c1cc2c(ccc3ccccc32)o1 263627875 WYUPDNAEJYWHDK-UHFFFAOYSA-N 294.354 3.642 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccc(C#N)nc2)c1 267439255 YMFDJJLDEJNODQ-KRWDZBQOSA-N 263.344 3.603 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H](C)C1CCC1 357020991 PDYTYHGBNHFQNV-LBPRGKRZSA-N 271.364 3.519 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cc(C3CC3)ccc2F)C1 449373515 RMYHFYCWXFWUHK-LRDDRELGSA-N 272.367 3.875 30 20 CHED Cc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1F 618742725 QIBFPYXYHFTJMN-SFHVURJKSA-N 280.346 3.783 30 20 CHED CCOc1c(Cl)cccc1CN1CCC[C@@](C)(C#N)C1 618819869 UXWWKIUGUFSDJG-INIZCTEOSA-N 292.810 3.864 30 20 CHED C=CCCCC(=O)N1CCC(c2ccc(OC)cc2)CC1 363360394 HKPBFGMHDLLXSH-UHFFFAOYSA-N 287.403 3.758 30 20 CHED CCC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccccn1 618192317 IBEJKOMWVVQANL-QGZVFWFLSA-N 279.387 3.893 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CCO[C@@H](c2cccs2)C1 453418121 IYIHIJQVTGUAQA-MGPQQGTHSA-N 265.422 3.913 30 20 CHED Cc1cc(CN2CCC[C@](C)(C#N)C2)cc2cccnc12 612405599 AYBLNUALMBECAS-GOSISDBHSA-N 279.387 3.669 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)s2)c1 271050934 PJBDOQQAXIRGSU-UHFFFAOYSA-N 256.374 3.560 30 20 CHED C=C(C)[C@H](NC[C@H]1CCSC1)c1ccc(F)c(F)c1 278881350 ZOCXFZFVDQZFPO-ABAIWWIYSA-N 283.387 3.925 30 20 CHED CCCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 611466829 TUQZGTKOGDSIGS-UHFFFAOYSA-N 281.359 3.704 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@]2(CCSC2)C1 451960556 CCZSXKZXZQHMBJ-PBHICJAKSA-N 286.444 3.838 30 20 CHED C=CCOc1ccc(-c2nc3ccccc3[nH]2)cc1OC 612364537 LYCKMDMSYIPGOL-UHFFFAOYSA-N 280.327 3.803 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 459665241 KFAQZGWWFCNTAH-ZHSDAYTOSA-N 278.758 3.617 30 20 CHED C=CCN(C)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 450792821 OJBTUQCZUKBODW-HZPDHXFCSA-N 257.377 3.605 30 20 CHED C=CCC1(CNC(=O)NCCCC(F)(F)F)CCCC1 454588311 LALOXKJTBXUHML-UHFFFAOYSA-N 292.345 3.765 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCN(C(C)=O)c2ccccc21 621762413 BTTQCYHBWNEFNT-MRXNPFEDSA-N 286.419 3.676 30 20 CHED C=CC(C)(C)CNC(=O)c1occc1COc1ccccc1 452777033 MFMKQCJLOLIUQA-UHFFFAOYSA-N 299.370 3.801 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cccc(C)c2)no1 273683747 HXXKNYGUWYWOOF-LBPRGKRZSA-N 258.321 3.699 30 20 CHED C[C@@H](CC#N)N(C)CCc1c(Cl)cccc1Cl 450488186 XFILDXYOYCMTAK-JTQLQIEISA-N 271.191 3.770 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 454555786 UCPLFIAJKYZZGS-ZWNOBZJWSA-N 296.773 3.600 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1C[C@H]1CC)c1ccccc1 452763369 GCXLRVIAYKKWLK-YCPHGPKFSA-N 257.377 3.509 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[C@H]1CC 540486281 XUIGDTDERIICSP-MJBXVCDLSA-N 252.402 3.609 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(CCC#N)Cc2ccco2)CC1 275805217 GWOZDHAIPRQDLW-SHTZXODSSA-N 288.391 3.738 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cnccc2C)cc1 271270321 CGVZQVIRSHUOPL-OAHLLOKOSA-N 282.387 3.806 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(CCC#N)Cc2ccco2)C1 272667201 JGGDKZDCTHJHKN-FICVDOATSA-N 288.391 3.594 30 20 CHED Cc1ccc2[nH]c(S[C@@H]3CC[C@H](C#N)C3)nc2c1 278560972 MMXKJZFSWUYKTJ-WDEREUQCSA-N 257.362 3.656 30 20 CHED C=CCCN1CCC[C@H](Cc2ccc(OC)cc2)C1 549350245 QRJMNXAWEUAHDG-MRXNPFEDSA-N 259.393 3.526 30 20 CHED CCCc1ccc([C@H](NC(=O)[C@H](C)C#N)C(C)C)cc1 468174814 URJFTEIATYPSFH-CZUORRHYSA-N 272.392 3.612 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 277634746 LDYSXVJXWFXALG-QGZVFWFLSA-N 273.351 3.505 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccn1 271254885 IGEPVOYWPDCKMT-HNNXBMFYSA-N 279.387 3.926 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 460799876 AOOSHFMIVMPTJL-LSDHHAIUSA-N 290.455 3.678 30 20 CHED COc1ccccc1[C@]1(C)C[C@@H]1Nc1cccc(F)c1C#N 462876307 DDZNIDUJICTFOB-ROUUACIJSA-N 296.345 3.848 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1ccc2c(c1)CCC2 467457468 WLPQITGFMLWCNX-HNNXBMFYSA-N 290.410 3.940 30 20 CHED Cc1oc(C#N)cc1C(=O)N1C[C@@H](C)Sc2ccccc21 281062027 YYOKGBDJLCUZIU-SNVBAGLBSA-N 298.367 3.601 30 20 CHED CCCCc1nc2cc(NC(=O)[C@@](C)(C#N)CC)ccc2[nH]1 285194255 SAXZXHYLSCQBIE-QGZVFWFLSA-N 298.390 3.784 30 20 CHED CCc1ccc([C@H]2CCCN(C(=O)CC(C)(C)C#N)C2)cc1 285892871 SBAQQKHIPZILHB-KRWDZBQOSA-N 298.430 3.895 30 20 CHED CC(C)CC[C@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 461779182 URIKPBVRCWSWEF-UONOGXRCSA-N 272.392 3.603 30 20 CHED CC[C@H](CNc1snc(C)c1C#N)c1ccccc1 557476954 JENUINPPEFZAAM-GFCCVEGCSA-N 271.389 3.929 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3 464516805 CEQMYRPXFWHGBL-OBYDGYHJSA-N 273.420 3.626 30 20 CHED C=C[C@H](C)NC(=O)[C@H](SCc1ccccc1)C(C)C 465111282 IQGPSIUUJWIILA-DZGCQCFKSA-N 277.433 3.635 30 20 CHED C=CCC(CC=C)C(=O)N(CCCC)c1ccccn1 637722136 LDOMUOPQKCEYET-UHFFFAOYSA-N 272.392 3.983 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCO[C@@H](CCC)C2)n1 551137802 BOMVBEKHTPIZLA-OLZOCXBDSA-N 278.396 3.986 30 20 CHED C=CCOc1ccccc1CN[C@H](COC)c1ccccc1 558239959 CJWYZHKYAXNDMP-GOSISDBHSA-N 297.398 3.729 30 20 CHED C=CCC[C@H](O)CN(C)Cc1cccc(Cl)c1Cl 472744481 CATLAAMKRHXEFC-LBPRGKRZSA-N 288.218 3.752 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCCc3ncccc32)cc1 631629646 QRLJQBLDBDVXIE-LJQANCHMSA-N 294.398 3.814 30 20 CHED C#CCOc1ccccc1-c1noc([C@@](C)(C=C)CC)n1 809397262 LYKJMXHMMUASKY-KRWDZBQOSA-N 282.343 3.602 30 20 CHED CC#CCCCC(=O)NC[C@@H](Cc1ccccc1)C(C)C 470735716 ZRJLGOWYLYHDBX-GOSISDBHSA-N 285.431 3.811 30 20 CHED N#CC1(CSc2nccc(C(F)(F)F)n2)CCCC1 806586868 IKUYKUIVJNOOJN-UHFFFAOYSA-N 287.310 3.671 30 20 CHED C=CC(C)(C)C(=O)NCCCc1c[nH]c2ccc(F)cc12 296113258 IIXWUDXLDCLGFC-UHFFFAOYSA-N 288.366 3.568 30 20 CHED C#CCC(C)(C)c1nc(-c2cccc(C(F)F)c2)no1 809480395 NMUXVIGZFXXONS-UHFFFAOYSA-N 276.286 3.975 30 20 CHED CCOc1ccc(O)c(/C=N/CCCC(C)(C)COC)c1 806551039 PUWANXSBQBZCQZ-LDADJPATSA-N 293.407 3.663 30 20 CHED O=C(/C=C/c1cccnc1)c1c(F)cccc1Cl 809159305 MZEVYTPWAFZOIB-VOTSOKGWSA-N 261.683 3.770 30 20 CHED C=CCCCCCCNC(=O)c1nc(C(C)C)oc1C 805219458 LMJQGJNSKAEUAX-UHFFFAOYSA-N 278.396 3.973 30 20 CHED C[C@@H](SCc1cccc(C#N)c1F)C(=O)OC(C)(C)C 479707174 TVNQQMFUHHYBKN-SNVBAGLBSA-N 295.379 3.661 30 20 CHED Cc1cc(Cl)nc(CNc2nc(Cl)c(C#N)s2)c1 804693448 VRGXPQNSDMOGAT-UHFFFAOYSA-N 299.186 3.637 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc2c(c1)oc1ccccc12 806208336 OBJKZDZMDVECAJ-NSHDSACASA-N 278.311 3.729 30 20 CHED C[C@H]1CC[C@@H](C)C[C@H]1NCc1ccc(OCC#N)cc1 295236777 SJMZPSCASCVKBR-JKIFEVAISA-N 272.392 3.503 30 20 CHED C#C[C@H](N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1)C(C)C 809685126 ATDBGXXFYXEUDR-PBHICJAKSA-N 280.415 3.581 30 20 CHED C=CCCCC(=O)NC[C@H](c1ccccc1)C1CC1 294759038 ZTSGRICPAGKGMW-MRXNPFEDSA-N 257.377 3.653 30 20 CHED C#C[C@H](NC(=O)[C@H](C)CCc1cccc(F)c1)C(C)(C)C 807883426 MSIZKZNGTGIGBM-CJNGLKHVSA-N 289.394 3.559 30 20 CHED C=CCC1(C(=O)N2CC[C@@H]3[C@H]2[C@@H]3C(F)(F)F)CCCC1 649043108 JOZKHXIMDNNGIU-TUAOUCFPSA-N 287.325 3.532 30 20 CHED C=C(C)CN(C)C(=O)Nc1cnn(CCCC)c1C(C)C 485177478 YKJZBYSXXWQQLA-UHFFFAOYSA-N 292.427 3.846 30 20 CHED Cc1c(C=NNCC2CCCC2)n(C)c2ccccc12 814933774 ZLCDJADRLZRRSF-UHFFFAOYSA-N 269.392 3.600 30 20 CHED C=CCC[C@@H](N[C@@H]1CCNC2(CCC2)C1)c1ccco1 643548477 PZRVBTHQODJXOY-HUUCEWRRSA-N 274.408 3.551 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1C1CCC1 565057207 ZIBPMPKELUPUCE-AFAVFJNCSA-N 282.387 3.514 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)c1cccs1 568301320 BGZYGOWHBVMHSY-WBMJQRKESA-N 290.432 3.830 30 20 CHED C=CCCCC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 564261386 BYSQNNWXVGEFOI-TXEJJXNPSA-N 277.330 3.922 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ccc2[nH]ccc2c1 489978246 LMUADYRSSIWLHM-UHFFFAOYSA-N 284.403 3.819 30 20 CHED CCC[C@](C)(CC)C(=O)N[C@H](C#N)c1ccccc1F 483974570 DQKDTMQJGXPICM-ZBFHGGJFSA-N 276.355 3.723 30 20 CHED C#C[C@H](NC(=O)N(C)CC(C)(C)C)c1ccc(Cl)cc1 810100437 IPRMELDPPGTBFR-AWEZNQCLSA-N 292.810 3.702 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 812006965 GYTDDQVLXPJTKI-LSDHHAIUSA-N 290.382 3.624 30 20 CHED CCCN(Cc1cccc(OCCCC#N)c1)C(C)C 577747292 VTXXBKZZNGVPMK-UHFFFAOYSA-N 274.408 3.990 30 20 CHED C=CCCOCCCCC(=O)N1CC(C)(C)[C@@H]1C(C)C 480447486 LZYYAUOAPVTOOQ-INIZCTEOSA-N 281.440 3.642 30 20 CHED Cc1cc(=Nc2cccc(F)c2C#N)[nH]n1C1CCCCC1 576321290 DPUUWAXQJFJWGO-UHFFFAOYSA-N 298.365 3.873 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccc(C(F)(F)F)cc1 488846306 SIFNPIUNCPTQOR-CQSZACIVSA-N 297.320 3.815 30 20 CHED CC1(C)CCN(C(=O)c2sccc2C#N)c2ccccc21 574437163 VJVHMAFOZYYUKV-UHFFFAOYSA-N 296.395 3.948 30 20 CHED C=CCN(Cc1ccc(O)c(F)c1)c1ccccc1 813338434 HPRLQIQTLHQPEY-UHFFFAOYSA-N 257.308 3.724 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1sccc1Cl 811667345 SFPXWHDTQXOBON-LLVKDONJSA-N 294.807 3.793 30 20 CHED C[C@H]1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CC[C@H]1C 573143931 HNFIMQQTDYPLQS-IHHFWDAISA-N 268.404 3.960 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccccc1OC(C)C 488861342 GRWGNKYGWRLVGE-MRXNPFEDSA-N 287.403 3.583 30 20 CHED CC(Cc1ccccc1C)=NN[C@@H](C)c1ccncc1 819814852 GERAAPDSCSHBKK-HNNXBMFYSA-N 267.376 3.659 30 20 CHED Cc1c(NN=Cc2ccc3[nH]ccc3c2)cccc1[N+](=O)[O-] 811640940 GQBHUMREGASDOZ-UHFFFAOYSA-N 294.314 3.831 30 20 CHED C#CCCCC(=O)OCc1cncc(-c2ccsc2)c1 816257756 LZHSPZGTGWEQSE-UHFFFAOYSA-N 285.368 3.657 30 20 CHED N#C[C@H]1CC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 818991240 ABCPZVYGUXIKDA-ZYKYAXMNSA-N 283.158 3.810 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](CC)Cc1ccc(Cl)cc1 658028005 BWJXTLCFUVXILD-OAGGEKHMSA-N 279.811 3.594 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CCCCC12CCCC2 814869168 DOKHASUBCJDVHC-UHFFFAOYSA-N 288.351 3.892 30 20 CHED CCCCN(C)C(=S)Nc1ccc(C#N)c(Cl)c1 726435875 YFERUNMFDKRRDV-UHFFFAOYSA-N 281.812 3.640 30 20 CHED C#Cc1cccc(NC(=S)NC[C@@H]2CCCC[C@H]2C)c1 726478334 FHMOMWCDUODOBY-HIFRSBDPSA-N 286.444 3.781 30 20 CHED C=CCCCCCN1CC[C@H](C(=O)O)[C@@H]2CCCC[C@@H]21 656765470 NKFKULLLWGUARA-JYJNAYRXSA-N 279.424 3.698 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1ccc(Cl)cc1 728614053 ZMPVQUOZINFLRP-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=C(Cl)COC(=O)[C@H](OC1CCCC1)c1ccccc1 727018400 VMWMJKLKWVPIPM-OAHLLOKOSA-N 294.778 3.983 30 20 CHED Cc1c(NN=C[C@H]2CC=CCC2)cccc1[N+](=O)[O-] 727972921 LLAPWFNUGHFQCS-LBPRGKRZSA-N 259.309 3.657 30 20 CHED C/C(=C/C(=O)N(CCC#N)CCC(C)C)c1ccccc1 728871512 VMLVTJJDCSCACF-PEZBUJJGSA-N 284.403 3.878 30 20 CHED C#CC[C@H](NC[C@@H](Cc1ccccc1)OC)c1ccccc1 828687494 LBYWWCBVSXVUDP-UXHICEINSA-N 293.410 3.598 30 20 CHED C=CCCC(=O)OCc1c(C)cc(C)c(C(C)=O)c1C 726653007 ZRMLJTFKELLHIM-UHFFFAOYSA-N 274.360 3.824 30 20 CHED C=CCCCCCNC(=O)c1ccc(C(C)(F)F)nc1 583638993 QHMMCLADRZIHBQ-UHFFFAOYSA-N 282.334 3.670 30 20 CHED C=CC1CCN(C(=O)NCc2ccc3occc3c2)CC1 661575949 ZLHUZPMYRCHUGU-UHFFFAOYSA-N 284.359 3.540 30 20 CHED O=C1/C(=C\c2ccsc2)COc2c(F)ccc(F)c21 588425738 LRPKRNUZRZMBOU-UITAMQMPSA-N 278.279 3.685 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCc1ccccc1Cl 495133223 QUYPKPKJCRFYPS-CQSZACIVSA-N 292.810 3.633 30 20 CHED C=CCC[C@H](C(=O)NCCCSCC)c1ccccc1 499528154 WZDMPXFPLFRNMN-INIZCTEOSA-N 291.460 3.996 30 20 CHED CC(=O)c1ccc(C#N)cc1NC[C@H]1CCCC1(F)F 828857461 DGAMPKZSDIAZDG-GFCCVEGCSA-N 278.302 3.608 30 20 CHED CCN(C(=O)CCCCCC#N)[C@H](C)c1ccc(C#N)cc1 588544096 YWZYOFIRUJANND-OAHLLOKOSA-N 297.402 3.942 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)NCC(C)(C)C#N 903100784 XRPRFJOLTTURPV-JTQLQIEISA-N 265.426 3.775 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2ccsc2C#N)C1 909424182 MNJWOCHMQPGUGL-NSHDSACASA-N 276.405 3.518 30 20 CHED CC(C)CC[C@H]1CCC(=NN[C@H]2CCSC2)C1 834980237 QJWCPUJTYIWQFI-JSGCOSHPSA-N 254.443 3.674 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C#CC(C)(C)C)C1 837643048 KUEXUWRROGNOBW-GDBMZVCRSA-N 269.388 3.646 30 20 CHED Cc1ccc(F)c(C=NNc2ncccc2C(F)(F)F)c1 734978339 DBQNSIHHMPUPSN-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CCN(C(=O)CCCCCC#N)c1cccc(C)c1 588751940 VEWOOTFNAGSOHI-UHFFFAOYSA-N 258.365 3.822 30 20 CHED CC(C)(C#N)C(=O)OCc1cc(Cl)sc1Cl 835980320 WDYKSAOTIMTGEN-UHFFFAOYSA-N 278.160 3.648 30 20 CHED N#C[C@H](CCc1ccccc1)c1nc(-c2ccccc2)no1 904239037 ISOPXQHFEPKFKV-INIZCTEOSA-N 289.338 3.977 30 20 CHED C=C(Cl)CNC(=O)c1cccc(Oc2ccccc2)c1 736246673 FXHAEQUEMKRWCJ-UHFFFAOYSA-N 287.746 3.961 30 20 CHED C=CCC(C)(C)C(=O)OC[C@@]1(C)CC1(Cl)Cl 837741613 JKWWCFVKHWTLFO-LLVKDONJSA-N 265.180 3.716 30 20 CHED CCOc1ccc(NC(=O)CCCCCC#N)c(C)c1 588152644 HOBRXMPEWPNUOZ-UHFFFAOYSA-N 274.364 3.806 30 20 CHED CCCC(=NNCc1ccccc1F)c1cccnc1 835012071 VUESVRXEWHNGJJ-UHFFFAOYSA-N 271.339 3.515 30 20 CHED C=C(Cl)CSCCCCCC(=O)OCC 735506401 GUHBPPRXHIWFTQ-UHFFFAOYSA-N 250.791 3.596 30 20 CHED C1CCC2(CC1)CCCC2=NNC[C@H]1CCSC1 834979607 PQYLDETUGQVQRK-CYBMUJFWSA-N 266.454 3.820 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc(C)c1O 834879280 XTJUEMDZRJLBGO-HYXAFXHYSA-N 294.350 3.840 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@H]1CCc2ccccc2C1 732553593 OLZLFVHVCCTSBX-INIZCTEOSA-N 298.430 3.580 30 20 CHED CCC/C=C/C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 735209295 YOACXDOURNFWGB-IHVVCDCBSA-N 297.383 3.738 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc2cccnc2s1 838222576 MQVRYNADCKUYFW-UHFFFAOYSA-N 288.372 3.783 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(OC(F)F)c(F)c1 835454697 SNUVGNWJWXTXHV-UHFFFAOYSA-N 288.265 3.683 30 20 CHED CC(C)(C#N)CCN1CC[C@H](Oc2ccc(Cl)cc2)C1 590201717 LTHJKZYZPUXDOX-HNNXBMFYSA-N 292.810 3.733 30 20 CHED COc1cccc2c1CN(CCCCC(C)(C)C#N)C2 599641893 CPEBZQHNOVGBER-UHFFFAOYSA-N 272.392 3.731 30 20 CHED CC(C)n1nc(-c2ccco2)cc1NC(=O)C#CC(C)(C)C 837586072 PSTKGSWASOUDJI-UHFFFAOYSA-N 299.374 3.712 30 20 CHED C[C@@H](COCC1CC1)Nc1ccc(C(F)(F)F)c(C#N)c1 593509188 UILJXJDJAHBMMA-JTQLQIEISA-N 298.308 3.804 30 20 CHED Cc1cccc([C@H](C)C/N=C/c2cccc(O)c2O)c1 741164861 BQVVKKVNOQZACA-VBEHJTROSA-N 269.344 3.629 30 20 CHED CC(CSC(C)(C)C)=NNc1ccc(CC(=O)O)cc1 848414647 AWMHNQSKEORKNX-UHFFFAOYSA-N 294.420 3.633 30 20 CHED CCCC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)C(C)C 598818024 IVBHEFRLBHFODM-STQMWFEESA-N 252.402 3.503 30 20 CHED C=C(C)CNC(=S)Nc1cc(Cl)cc2cccnc12 911610034 YMPUVNJYJAAZAG-UHFFFAOYSA-N 291.807 3.751 30 20 CHED CCCCCCCCN1CCC([C@@H]2C[C@@H](N)CCO2)CC1 842478272 GMACBQVBRHAEQU-ROUUACIJSA-N 296.499 3.565 30 20 CHED CCCNN=Cc1csc(-c2ccc(Cl)cc2)n1 915965630 WELPKSVUOHJLHB-UHFFFAOYSA-N 279.796 3.797 30 20 CHED N#CCCN(CCSc1ccc(F)cc1F)CC1CC1 595335696 XGOLNGWHCZWREU-UHFFFAOYSA-N 296.386 3.683 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(C)nn1C 840888107 YPMMDOAEXVEIAI-RDJZCZTQSA-N 283.419 3.567 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1cccc(F)c1 914773477 IYYLZHUCBUVMCA-MFOYZWKCSA-N 263.699 3.804 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CC1CCCCC1 748920767 YFLJTDMAUPGYDM-UHFFFAOYSA-N 271.360 3.880 30 20 CHED CCCCCCCN1CCN(C(=O)C(CC)CC)CC1 740874958 UENZNFRPYPDGBF-UHFFFAOYSA-N 282.472 3.537 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cc(C)c(C)s1 748922949 YQXQLHAVUJYBIV-UHFFFAOYSA-N 285.368 3.902 30 20 CHED Clc1cncc(NN=Cc2csc3ccccc23)n1 914556777 GBFXPJBILJQLGH-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=CCCC(=O)OCc1ncc(-c2ccccc2C)o1 744920165 JPBQRCOUNNEPRF-UHFFFAOYSA-N 271.316 3.659 30 20 CHED C=CCC[C@@H](C)N[C@@H]1COc2c(Cl)cccc21 680467523 PKXWRKIERNVEKS-ZWNOBZJWSA-N 251.757 3.718 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cccc([N+](=O)[O-])c1 743450535 LRDQFAJYQHGRCO-CYBMUJFWSA-N 277.368 3.877 30 20 CHED C=CC[C@@H](C(=O)N(C)Cc1ccn(CC)c1)c1ccccc1 682945495 KVSVIYGIJIROSL-GOSISDBHSA-N 296.414 3.826 30 20 CHED C#Cc1cccc(N(C)CCOc2ccc(SC)cc2)c1 743846065 AINRIMZVUGYSOZ-UHFFFAOYSA-N 297.423 3.905 30 20 CHED CSc1ccc(CCCC(=O)O[C@H](C#N)C(C)C)cc1 842705914 ZMEZTWKDXZCOLW-OAHLLOKOSA-N 291.416 3.823 30 20 CHED CC(C)(C)CC(=O)OCC#Cc1ccc(Cl)cc1 749196472 OJUVGLALYONWIQ-UHFFFAOYSA-N 264.752 3.671 30 20 CHED N#C[C@H](c1ccccc1)n1ccnc1[C@@H](O)C1CCCCC1 849951350 MNFVUJPPZWFIQH-SJORKVTESA-N 295.386 3.610 30 20 CHED C#CCCOc1ccc(C=NNc2cccc(F)c2)cc1 920385769 HCXRCDWPEAMWOT-UHFFFAOYSA-N 282.318 3.674 30 20 CHED C=CC[C@H](C(=O)NCc1ccoc1C)c1ccccc1 681660327 YREFHOSAYOZOGI-INIZCTEOSA-N 269.344 3.564 30 20 CHED C#CC[C@@H](Nc1cc(C)nc(C2CC2)n1)c1ccccc1 756952869 FCNHMCYIMPEUID-MRXNPFEDSA-N 277.371 3.839 30 20 CHED C=C[C@H](OC(=O)c1oc(CC)nc1C)c1ccccc1 851452166 PKQMHPHNJMVRMZ-ZDUSSCGKSA-N 271.316 3.630 30 20 CHED COc1ccc(CCC(C)=NO[C@@H]2CCCCO2)cc1 755819324 DYFOQZPAJAWZRJ-MRXNPFEDSA-N 277.364 3.547 30 20 CHED C#CCCCCNC(=O)c1ccc2c(c1)-c1ccccc1C2 758626656 HIIFLVLADRHNRX-UHFFFAOYSA-N 289.378 3.791 30 20 CHED CC(Cc1ccncc1)=NNc1ccc(F)cc1C 750938490 IZLUTNFZSRRBNB-UHFFFAOYSA-N 257.312 3.560 30 20 CHED COc1ccc(CNC2(c3cccc(C#N)c3)CC2)c(C)c1 921924083 MPLHWMBFXJGTEB-UHFFFAOYSA-N 292.382 3.654 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc2c(c1)CCN2C 751523188 MVMNREIYTFDGCL-CSKARUKUSA-N 277.367 3.883 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1CCCc1ccccc1 753242654 GOCJAVXPTJNMOQ-ROUUACIJSA-N 298.430 3.595 30 20 CHED O=C(O)c1ccc(NN=C[C@@H]2C[C@H]2c2ccccc2)cc1 755455156 LNOGVYOSURHEBR-HOCLYGCPSA-N 280.327 3.586 30 20 CHED FC(F)CON=Cc1cc2ccccc2nc1Cl 758899750 MPQWTQBJTVGFFR-UHFFFAOYSA-N 270.666 3.504 30 20 CHED C=CCCNC(=O)N1CCC[C@@H](c2ccccc2)CC1 852487333 PZDXTBVRHLOVJZ-MRXNPFEDSA-N 272.392 3.542 30 20 CHED C=CCCN(C)Cc1ccc(OC)c(O[C@H](C)CC)c1 682436702 UVDOVGPAGQKMER-CQSZACIVSA-N 277.408 3.880 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H]1C[C@@H](C)O 752642676 WEACAUNSRQETSS-CVEARBPZSA-N 298.471 3.682 30 20 CHED C=CCC1(NC(=O)C=C2CCC(C)(C)CC2)CCOCC1 855686687 RECKDVSTEQQFKG-UHFFFAOYSA-N 291.435 3.755 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cc(C)sc1C 755823661 RLRCDYKYFOKZEZ-CYBMUJFWSA-N 253.367 3.632 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 757595520 FSCCDXSCHAKECW-GOEBONIOSA-N 281.355 3.572 30 20 CHED CCC(CC)n1nccc1C(=O)O[C@H](C)CC(C)(C)C#N 851207897 JHTYEQMVSZHONN-GFCCVEGCSA-N 291.395 3.729 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(N2CCC(C)CC2)cc1 757192910 HFHPKDRAHBPOQF-AWEZNQCLSA-N 287.407 3.619 30 20 CHED CC#CCOC(=O)c1cncc(-c2ccc(Cl)cc2)c1 758107889 ATYWEAJMMRYMLX-UHFFFAOYSA-N 285.730 3.582 30 20 CHED CCCc1ncc(C(=O)O[C@@H](C)CC(C)(C)C#N)s1 851209692 ODOPCVKPLWAFLZ-JTQLQIEISA-N 280.393 3.581 30 20 CHED CCO[C@@H](CCN[C@@H](C)CC(C)(C)C#N)C1CCCC1 925207617 QSVRDAYLAIKOIX-HOCLYGCPSA-N 280.456 3.890 30 20 CHED Cc1scc(C(=O)O[C@H](C)CC(C)(C)C#N)c1C 851208411 UOAAYEXZPCCWQZ-SECBINFHSA-N 265.378 3.850 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1ccc(Cl)nc1 857614961 OGXCMIZMCFCZMK-UHFFFAOYSA-N 291.782 3.562 30 20 CHED C=CC(C)(C)CCOC(=O)c1cc(C)n(C(C)C)n1 851299963 HBGYJVCBBQJKOU-UHFFFAOYSA-N 264.369 3.532 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C(F)F)cc1 933105912 KEXWJLJSFJFENE-UHFFFAOYSA-N 266.291 3.549 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(Cl)nc1 750939178 XSYWVOMHVLTOLZ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCCCCCCC(=O)N[C@H](C)C[C@@H](O)c1ccco1 760190806 RAAPROYCJXWKNF-ZIAGYGMSSA-N 281.396 3.568 30 20 CHED CCCCCCN1CCO[C@@H](c2cccc(C#N)c2)C1 761759182 WYIGWMAVNUOWFS-QGZVFWFLSA-N 272.392 3.512 30 20 CHED CC(=NN=C(C)c1cc2c(s1)CCCC2)c1cnccn1 764699325 PVRQJKNTBZWWLN-UHFFFAOYSA-N 298.415 3.650 30 20 CHED Cc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)c(C)o1 768258201 UFIZJSKFYHKUOE-UHFFFAOYSA-N 280.371 3.933 30 20 CHED COc1cc(F)ccc1NN=Cc1ccccc1C 761889110 BKXXQRCWQHTZAG-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CCC[C@H](C)c1noc(CCc2ccc(C#N)cc2)n1 761851797 PGTVISGUAOEGBX-LBPRGKRZSA-N 269.348 3.630 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cccc2cccnc12 860196553 CCSABWYARCUYKQ-UHFFFAOYSA-N 282.343 3.608 30 20 CHED COc1ccc(CN(C)CC(C)(C)CCC#N)cc1F 768199796 JOUWSDMEZQRPQI-UHFFFAOYSA-N 278.371 3.596 30 20 CHED c1ccc([C@@H]2CCC2=NNc2cnnc3ccccc23)cc1 769790416 KZMMNEAUJSTWJU-AWEZNQCLSA-N 288.354 3.975 30 20 CHED CCCCCCCNC(C)(C)C(=O)Nc1ccccc1 766912967 FPMAXMCPOFJPIC-UHFFFAOYSA-N 276.424 3.964 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)O[C@H]1CCC[C@H](C#N)C1 860825456 INMKEDDEYLADAO-ZOBUZTSGSA-N 285.387 3.799 30 20 CHED C#CCOc1ccccc1-c1noc([C@H](C)CCC)n1 761992048 PIKMNXCLYXOZHE-GFCCVEGCSA-N 270.332 3.652 30 20 CHED CCC(C)(CC)C(=O)OCc1cccc(C#N)c1F 767614862 VWBHGTMIGILTPC-UHFFFAOYSA-N 263.312 3.567 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCCCN(C)C1 862792170 OPIHYTUNLXJTQC-INIZCTEOSA-N 282.472 3.585 30 20 CHED C=C(C)CN(C)C(=O)CC(C)(C)c1ccc(F)cc1 867255182 ZSINPFNUJCHZDQ-UHFFFAOYSA-N 263.356 3.528 30 20 CHED Cc1cc(F)cc(C(=O)OCCCCC(C)(C)C#N)c1N 768653108 WVIMSSIJRLQUNS-UHFFFAOYSA-N 292.354 3.593 30 20 CHED C[C@@H](C#N)OC(=O)c1ccccc1SCc1ccco1 760866968 BJKVGQZQGQGGQI-NSHDSACASA-N 287.340 3.641 30 20 CHED N#CCc1ccccc1Cc1nc(CC2CCCCC2)no1 761820814 SOZIPCIAZQYKAR-UHFFFAOYSA-N 295.386 3.849 30 20 CHED Cc1ccsc1C=NNc1ccnc(Br)c1 769804915 KPCBECNKJOSETF-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CCCCCCCCC(=O)OCc1cn2cccnc2n1 762862057 RROBBHYTBXQTLA-UHFFFAOYSA-N 289.379 3.523 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](F)c1ccccc1 769387297 DZYKOJUHPXSKQX-WBMJQRKESA-N 298.317 3.627 30 20 CHED CN(Cc1cc2ccccc2[nH]1)Cc1ccccc1C#N 1116227840 WMOMOOYHPYHHEU-UHFFFAOYSA-N 275.355 3.672 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H](C#N)C(C)(C)C)coc2c1 765631676 SRUJNRZFNPQPCU-HNNXBMFYSA-N 285.343 3.765 30 20 CHED CC1(C)CC(=NNc2cc(Cl)nc(Cl)c2)CCO1 872381951 DXOVYQOFPVAQSU-UHFFFAOYSA-N 288.178 3.745 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc(CN3CCCC3)c2)C1 1116825673 RFFHRSJEDCZJAW-WBVHZDCISA-N 283.419 3.777 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1cc(F)cc(Cl)c1 776720514 PGCOURXOLJVQTD-PLNGDYQASA-N 292.741 3.726 30 20 CHED N#CCc1cccc(C(=O)O[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 771016602 PKCHYKNRGGDVRN-BFYDXBDKSA-N 283.371 3.878 30 20 CHED CC[C@@H](Cc1ccccc1)NCc1cc(C#N)ccc1F 773028123 SJXBCTVEFRFCBA-KRWDZBQOSA-N 282.362 3.808 30 20 CHED Clc1ccnc(NN=C[C@@H]2CCOc3ccccc32)c1 777906498 WMGGGPIFDNVWMD-NSHDSACASA-N 287.750 3.699 30 20 CHED COc1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc1C1CC1 774202539 KQHHGJDXFSWEBH-HNNXBMFYSA-N 287.359 3.668 30 20 CHED C#CCCCCC(=O)Nc1ccccc1N(C)C(C)C 773353690 ATKZSQGDKXRYPO-UHFFFAOYSA-N 272.392 3.663 30 20 CHED COc1ccc(NC[C@H](C)CCC#N)c2ncccc12 877403428 PPIDEXIFHGWVDQ-GFCCVEGCSA-N 269.348 3.595 30 20 CHED CC(=NOC1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] 777456621 DLVJCHYFRPAKIQ-UHFFFAOYSA-N 280.299 3.807 30 20 CHED C=C(C)CCOc1ccc2c(CC)cc(=O)oc2c1 775172581 IETHFKULRRALQE-UHFFFAOYSA-N 258.317 3.700 30 20 CHED CC(C)(C#N)CCOC(=O)C[C@H]1CCc2ccccc21 776384711 FVUJSNXHWKLSFK-CQSZACIVSA-N 271.360 3.590 30 20 CHED N#Cc1cc(C(=O)NCCC2CCCCC2)ccc1Cl 1124931927 QIPNTNFAWAFXTA-UHFFFAOYSA-N 290.794 3.912 30 20 CHED C=C1CCC(C(=O)Nc2ccc(OC)c(F)c2)CC1 888261230 JIZFHHBDZULPDR-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C#CCOc1cc(F)ccc1N[C@H](C)c1cccc(C#N)c1 777120013 SEYHWJGVQVODMF-CYBMUJFWSA-N 294.329 3.882 30 20 CHED CCC(=NNc1nc2ccccc2[nH]1)c1ccc(C#N)cc1 772999992 XEQYQTXFAYDDCJ-UHFFFAOYSA-N 289.342 3.661 30 20 CHED Cc1c(C(=O)OCCC(C)(C)C#N)oc2ccccc12 776355784 XHPWKRGSTBMKJX-UHFFFAOYSA-N 271.316 3.838 30 20 CHED C#CCSCCN[C@@H]1CCSc2cc(C)c(C)cc21 779031253 GRZIDPBCBAQQHS-OAHLLOKOSA-N 291.485 3.796 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1 779459622 DJMOMVROHUIMOZ-VOTSOKGWSA-N 257.720 3.940 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cc(Cl)ccc1F 1124176977 UYSWVQOQBGFLAV-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C#CC(C)(C)N(C)Cc1cc(-c2ccc(Cl)cc2)no1 787997355 LBPHYKWOJOKKOH-UHFFFAOYSA-N 288.778 3.839 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1c(F)cccc1F 785760859 ZOAFWBXIQQUHGC-AWEZNQCLSA-N 254.276 3.610 30 20 CHED CCCCCCCC(=O)NCC[C@@H]1CCO[C@@H](C)C1 784375365 RFHKVFISPLBBOP-LSDHHAIUSA-N 269.429 3.668 30 20 CHED CCCN1CCC(N(C)CCCCC(C)(C)C#N)CC1 409446494 PUEDAFQIVICWFV-UHFFFAOYSA-N 279.472 3.513 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C/c1nc2ccccc2s1 785856426 FWWWURQEQAKMGZ-OCHBPSSRSA-N 298.411 3.877 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C)c(Br)cn1 410552085 XVEWNYQCFPCJNB-UHFFFAOYSA-N 297.196 3.693 30 20 CHED CCN(CCC#N)C1c2ccccc2-c2ccccc21 81040419 QDFGFJZDJXOHTC-UHFFFAOYSA-N 262.356 3.992 30 20 CHED CO[C@@H](C(C)=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1 782099007 XGJAQLXXWSDDCQ-INIZCTEOSA-N 299.330 3.770 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNCCc1ccncc1 789095179 ZUFXQXAIUPLXDE-INIZCTEOSA-N 273.424 3.806 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccccc1CC#N 1136165231 SFXHXIRKQNPCCH-AWEZNQCLSA-N 272.392 3.699 30 20 CHED C=CCC(F)(F)C(=O)N1Cc2ccccc2[C@H]1CC 890613638 JIUNMIUPQOURBU-CYBMUJFWSA-N 265.303 3.691 30 20 CHED N#CC1CCN(Cc2cccc(Oc3ccccn3)c2)CC1 891852013 GONWJEWYCWHNBD-UHFFFAOYSA-N 293.370 3.609 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2ccc(CC#N)cc2)C1(C)C 893575914 LGQALWJXKOMMDU-CVEARBPZSA-N 272.392 3.757 30 20 CHED CC(C)O[C@H](C=NO[C@H]1CCCCO1)c1ccccc1 793034542 OSFSGNNPOAGUDR-CVEARBPZSA-N 277.364 3.682 30 20 CHED Cc1cc([C@H](C)Nc2snc(C)c2C#N)c(C)o1 92912523 GXHSVCRHJSBPPF-QMMMGPOBSA-N 261.350 3.706 30 20 CHED C#CCCCCC(=O)OC[C@H](OC(C)C)c1ccccc1 795504452 BFYSVJBXUBZQTN-KRWDZBQOSA-N 288.387 3.890 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2ccc(C#N)cc2)c(O)c1 799895052 JPPPXVCVCLWXHT-FPLPWBNLSA-N 277.323 3.777 30 20 CHED Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C)cc1C#N 799333010 GOSANEQMUGOXOZ-CQSZACIVSA-N 290.366 3.626 30 20 CHED C=CCNN=Cc1ccc(Oc2ccc(OC)cc2)cc1 794998331 IYFYCGREPNNGOG-UHFFFAOYSA-N 282.343 3.597 30 20 CHED C#CCN(C)C(=O)c1sc2cc(Cl)ccc2c1Cl 191040416 WAKJHVXULGFFBM-UHFFFAOYSA-N 298.194 3.913 30 20 CHED CCCc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 595615025 OHAHESXGFSGVIV-INIZCTEOSA-N 256.393 3.765 30 20 CHED CC(C)C[C@H](C)C=NNc1cccc(F)c1[N+](=O)[O-] 799114053 PTLLNGPLMCKKOF-JTQLQIEISA-N 267.304 3.814 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc2cc(O)ccc2c1 794547192 FTCFKUJYDIUKNG-UHFFFAOYSA-N 296.292 3.811 30 20 CHED COc1ccccc1CON=CC1(OC)CCCCC1 799118172 TXIXOQGPQVUZQV-UHFFFAOYSA-N 277.364 3.547 30 20 CHED Cc1cccnc1NN=Cc1cc(Br)cs1 790185245 FIOVYFNQRPNBAK-UHFFFAOYSA-N 296.193 3.660 30 20 CHED Clc1ccc([C@@H]2CCCC2=NNc2cncnc2)cc1 794976289 IEFAUTXAZAKVCP-AWEZNQCLSA-N 286.766 3.866 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)[C@@H]1CCCO1 790202693 WPJORKAVCGNFJQ-LBPRGKRZSA-N 273.163 3.960 30 20 CHED C=CC[C@@H](C(=O)OC[C@@H]1CCC(C)(C)O1)c1ccccc1 792020833 KLTQNCUORDQPKV-JKSUJKDBSA-N 288.387 3.847 30 20 CHED COc1ccc2c(c1)C(=NOCc1ccccc1OC)CC2 799118349 BCHYUEMZQRZQOH-UHFFFAOYSA-N 297.354 3.571 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cccc(C(C)(C)C)c1 576835524 DPVDTXFMXFFEBR-ZDUSSCGKSA-N 272.392 3.606 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 799434494 DHJQCDJYMLKAKH-OAHLLOKOSA-N 286.371 3.882 30 20 CHED C#CCOc1cccc(NC(=O)[C@@H](CC)CCCC)c1 730977526 DUUOIEOVOHMYDL-AWEZNQCLSA-N 273.376 3.854 30 20 CHED C=CCCCOC(=O)COc1ccc(Cl)c(C)c1 735524061 WTNFQPWJKJXBKP-UHFFFAOYSA-N 268.740 3.537 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H]1CCCCC1(F)F 695835045 FYDXROLOAZHVBD-NWDGAFQWSA-N 258.356 3.730 30 20 CHED CCC1(C)CCN(Cc2ccc(OC)c(C#N)c2)CC1 87833386 UQTQIVHZJLMHHR-UHFFFAOYSA-N 272.392 3.579 30 20 CHED CC(C)CN(CCC#N)Cc1coc2ccccc12 768153289 CLTFJIGEEFIYLG-UHFFFAOYSA-N 256.349 3.804 30 20 CHED C=C(CC)CN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 773452638 HBSHGFQCMYIONR-IRXDYDNUSA-N 277.383 3.680 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(C)CCCCCC2)c1 781157734 JHAZHNUDZGBPCV-UHFFFAOYSA-N 269.388 3.991 30 20 CHED C[C@H]1Cc2ccccc2[C@@H]1Nc1ccc(OCC#N)cc1 1319974811 VAUOPUMFUOFPKB-SCLBCKFNSA-N 278.355 3.934 30 20 CHED C[C@@H]1/C(=C/c2cccnc2N(C)C)C(=O)c2ccccc21 1327210703 JDXPLGCHMLBDLY-IEMQHYRPSA-N 278.355 3.531 30 20 CHED Cc1ccc(N(C)Cc2ccc(F)c(C#N)c2)c(F)c1 1171169843 LDFJGTLMJCIMLK-UHFFFAOYSA-N 272.298 3.781 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)c2ccc(Cl)c(F)c2)C1 1324657441 LRHOOXDHLINERR-VOZQYIJBSA-N 294.757 3.596 30 20 CHED COc1ccc(C(=O)[C@H](C)Sc2ccc(C#N)cc2)cc1 1321770536 SIXWLGYNRFKKPV-LBPRGKRZSA-N 297.379 3.930 30 20 CHED N#CC[C@H](Cc1nnc([C@@H]2CCCCO2)o1)c1ccccc1 1329108988 SBJZFMLJIANGHS-CABCVRRESA-N 297.358 3.551 30 20 CHED C=C(Br)CN(CCc1ccccc1)C(C)C 1320773422 ZFJSVCAEOLQLPB-UHFFFAOYSA-N 282.225 3.848 30 20 CHED N#Cc1ccc(-c2nnc(C[C@@H]3C=CCCC3)o2)cc1 1325828984 ZDXZZGYISPEWFM-GFCCVEGCSA-N 265.316 3.507 30 20 CHED C=C(C)CCN1CCC(C(=O)c2cccs2)CC1 1321870253 AQBXQWRLBSVNQL-UHFFFAOYSA-N 263.406 3.609 30 20 CHED CC1(CNC(=O)CC#Cc2ccccc2)CCCCC1 1324013304 UEMAYAQAJKPWLM-UHFFFAOYSA-N 269.388 3.515 30 20 CHED N#Cc1ccc(Sc2nc3ccccc3nc2F)cc1 1184973626 YBECKXCBMVHNAH-UHFFFAOYSA-N 281.315 3.792 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cc(Cl)ccc1OCC 1338114334 YZBCIRAQEFFGKT-WCQYABFASA-N 283.799 3.590 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C(=O)O)c(F)c1 1776180819 NIWHFHPTUHIKNH-UHFFFAOYSA-N 299.345 3.712 30 20 CHED C=C[C@@H](COC)NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 1255035933 INGILWWQVKGJED-PBHICJAKSA-N 289.419 3.621 30 20 CHED N#Cc1ccc(-c2nnc(Cc3cccc(Cl)c3)o2)cc1 1254415325 OMROQIJBEDVPIK-UHFFFAOYSA-N 295.729 3.852 30 20 CHED C#CCCCCCC(=O)N[C@@H](CC)c1ccc(F)cc1 1337640991 TWPAEZJRXJQKDU-INIZCTEOSA-N 275.367 3.977 30 20 CHED C=CCCCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 1339909295 KIQHORMXEKEZLQ-JTQLQIEISA-N 264.394 3.563 30 20 CHED N#Cc1ccc(-c2nnc(-c3cccc4ccccc34)o2)nc1 1345828373 PHEWTEIYEVCXPC-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C=C(CC(C)C)C(=O)N1CCC(C(=O)c2ccccc2)CC1 1348462316 FKENNGHHXVMDPR-UHFFFAOYSA-N 299.414 3.710 30 20 CHED N#Cc1cc(C(=O)OC[C@@H]2CCCC(F)(F)C2)cs1 1263476308 PDYQTOYTZKZJEC-SECBINFHSA-N 285.315 3.602 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@H](CC#N)c2ccccc2)C1 1264797015 JFFJERGPRAEVIA-HLLBOEOZSA-N 284.403 3.626 30 20 CHED C#CC[C@H](CC)c1nnc(N2CCC[C@H]2CCC)n1CC 1340701928 NOYIHVOMTQCSEI-LSDHHAIUSA-N 288.439 3.584 30 20 CHED N#CC[C@H](OC(=O)C[C@@H]1C=CCCC1)c1ccco1 1346706955 OCCBYWLBSYYFDE-OCCSQVGLSA-N 259.305 3.524 30 20 CHED C#Cc1ccc(CN(C)Cc2cc(F)cc(F)c2)cc1 1347171545 QNVHYYQSDMPXFK-UHFFFAOYSA-N 271.310 3.578 30 20 CHED C=CCC(C)(C)CNCCc1ccc(F)cc1F 1347708572 CIFGZBCBQLTYPN-UHFFFAOYSA-N 253.336 3.699 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(-n2cccn2)cc1C 1346743722 HJFGIGUHQIBWPN-UHFFFAOYSA-N 283.375 3.722 30 20 CHED C=C(Cn1c(C)nnc1N1CC[C@@H](C)[C@H]1C)c1ccccc1 1507856171 XHLKOYIVSQJEPZ-UKRRQHHQSA-N 296.418 3.535 30 20 CHED CCc1ccc(C(=O)[C@@H](C#N)c2nccn2CC)cc1CC 1517045802 IKKMDSZDQQDBLQ-MRXNPFEDSA-N 295.386 3.518 30 20 CHED CCCc1c(NC[C@H]2C[C@H]2C)cnn1-c1cccc(C#N)c1 1462122359 RGAGZLFCVUCRTE-UKRRQHHQSA-N 294.402 3.764 30 20 CHED N#Cc1ccc(SCc2ccc(C(=O)O)cc2)cc1 1605612644 RFBCKQGORCUPJA-UHFFFAOYSA-N 269.325 3.549 30 20 CHED C#Cc1ccc(N[C@@H]2CCC[C@H](CCCC(=O)O)C2)cc1 1602738759 MCESJLXCTHWUKU-NVXWUHKLSA-N 285.387 3.894 30 20 CHED Cc1cnc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)c(C)c1 1531510045 ZLQNETVGBBROBD-UHFFFAOYSA-N 299.761 3.500 30 20 CHED N#Cc1cc(NC(=O)c2ccc(Cl)cc2)c(F)cc1F 1544822847 FAWPGNRIHROBIG-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=C(Cl)CNCc1cccc(-c2ccccn2)c1 1620809993 ZOGSQMVUDWJZGB-UHFFFAOYSA-N 258.752 3.591 30 20 CHED N#Cc1cc(CN2CCC[C@@H]2C2CCCC2)ccc1F 229749099 USXWXTQOWQWYTF-QGZVFWFLSA-N 272.367 3.852 30 20 CHED CCN(C[C@](C)(CC)OC)[C@H](C)c1ccc(C#N)cc1 1560684836 BGLCWWFJGOVXHP-PBHICJAKSA-N 274.408 3.756 30 20 CHED COc1cc(C#N)ccc1NC(=O)N(C)c1ccc(C)cc1 1562582232 XMHUVLBWGGJMSJ-UHFFFAOYSA-N 295.342 3.544 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)c1ccc(F)cc1F 1639579560 BOECMEKIKYQCHN-QMMMGPOBSA-N 277.249 3.544 30 20 CHED C=C(Cl)CN1C[C@@H](C)Oc2c(Cl)cccc21 1643026238 LNVXBOKUHJRCBM-SECBINFHSA-N 258.148 3.680 30 20 CHED C=CCCCNCc1ccc(-c2ccc(C(=O)O)cc2)o1 1588803792 KPHHNUPKINZRPZ-UHFFFAOYSA-N 285.343 3.701 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(C)c(F)c1 1651555324 IBMJHIBLOXGXIH-UHFFFAOYSA-N 271.291 3.593 30 20 CHED COc1cc(C#N)ccc1CN1CCCc2c(F)cccc21 1652637883 XJKSVRDBZVUHMT-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CCN(CCOc1ccccc1C#N)[C@@H]1CCCC[C@H]1C 1653296517 PTPZIIVOARMRSB-NVXWUHKLSA-N 286.419 3.838 30 20 CHED CCC1(CNC(=O)Nc2ccc(F)c(C#N)c2)CCCC1 1668156451 LJRNBSGJLFXBEE-UHFFFAOYSA-N 289.354 3.789 30 20 CHED COc1cccc(C(=O)O)c1CSc1ccc(C#N)cc1 1599645694 YFKFDWWWQUHINO-UHFFFAOYSA-N 299.351 3.557 30 20 CHED Cc1csc(NC(=O)NCc2c(C)cccc2C)c1C#N 1671651422 LQTGEOKSWXRLJC-UHFFFAOYSA-N 299.399 3.867 30 20 CHED C=CCC1(C(=O)O)CCN([C@H]2CCCc3ccccc32)CC1 1776159642 QOCOELSCTUAWAV-KRWDZBQOSA-N 299.414 3.807 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)C12CCC(CC1)C2 1776014141 IUIXSAIWGUVBDY-UHFFFAOYSA-N 272.348 3.753 30 20 CHED C=CCN(Cc1ccc(C)cc1)Cc1ccc(C(=O)O)cc1 1776179991 XXCJLHSFNHOBPV-UHFFFAOYSA-N 295.382 3.881 30 20 CHED CC(CC1CCCC1)=NNc1ccc(C(=O)O)c(F)c1 1776074448 AVSSWSRMMRMUST-UHFFFAOYSA-N 278.327 3.892 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H]1CCCC[C@@H]1CCC 1682002282 ZOHDLRRPHGGPFU-STQMWFEESA-N 272.820 3.645 30 20 CHED C=CCN(C)C(=O)c1cccc(COc2cccc(F)c2)c1 161390812 YNKORWKNJHLUEB-UHFFFAOYSA-N 299.345 3.663 30 20 CHED COC(=O)[C@H](Sc1cccc(C#N)c1)c1ccccc1 158736689 VURZSJWNSFRCQN-OAHLLOKOSA-N 283.352 3.565 30 20 CHED CC1(C)CCC/C(=C/c2nccn2CC(F)(F)F)C1=O 158986055 RMOSMQZSEMCAMI-NTMALXAHSA-N 286.297 3.608 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@@H]1C)c1ccccc1 160572009 JBNPSOUACJQIJG-HOCLYGCPSA-N 272.392 3.888 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 160984897 LIHHIZMPUZBBEE-IAGOWNOFSA-N 265.356 3.636 30 20 CHED CCSCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 164592325 BRRZAVNVHKSOMJ-CHWSQXEVSA-N 262.422 3.741 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)Cc2ccccc2)CC1 153015173 CLDULWDHFNTPBX-GOSISDBHSA-N 286.463 3.638 30 20 CHED C[C@H](OC(=O)C(C1CC1)C1CC1)c1ccc(C#N)cc1 153356618 WQUYMDREEVBGJN-NSHDSACASA-N 269.344 3.599 30 20 CHED Cc1cccc2c1N(C(=O)c1ccc(C#N)c(Cl)c1)CC2 155051450 CTDBFWFRXOFJHW-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 153910031 KYJMLSHYXILXPA-MNOVXSKESA-N 285.309 3.575 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC(C)(C)C 157276352 WUHXXHQIQARPHS-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=CCC[C@@H](NC(=O)c1oc(C)nc1C)c1ccccc1 154209649 ZPBPSGDMSLYSJB-OAHLLOKOSA-N 284.359 3.729 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccnc(C(F)(F)F)c1 926508678 ANFWAIGUFADPDF-SNVBAGLBSA-N 285.313 3.518 30 20 CHED C[C@@H]1C[C@H](NCc2ccc(C#N)cc2)CC(C)(C)C1 37505886 PQAXYEWEIHNNIK-CJNGLKHVSA-N 256.393 3.863 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)C1(C)CC1 37777478 JCVBXXCXGSXYOQ-CYBMUJFWSA-N 258.365 3.970 30 20 CHED Cc1cnc([C@H](C)NCc2ccc(C#N)cc2Cl)s1 162801333 HQYUSTWBMVYHBU-JTQLQIEISA-N 291.807 3.827 30 20 CHED CCC(C)(C)NC(=O)Nc1ccc(C#N)c(Cl)c1 175649243 AJRCNTGGOBHESN-UHFFFAOYSA-N 265.744 3.522 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3c(s2)CCC3)c1 308142719 VOGFQEDJRYTEAR-UHFFFAOYSA-N 282.368 3.669 30 20 CHED C=CCCNc1ccc(Br)cc1OCC 309065350 YYQOBTBEQKTADL-UHFFFAOYSA-N 270.170 3.836 30 20 CHED C=CCC(C)(C)CNc1nccc(C(F)(F)F)n1 310834385 JNIXWMPXYSNOEM-UHFFFAOYSA-N 259.275 3.510 30 20 CHED C[C@@H]1CCC[C@H](CNc2ncc(C#N)cc2Cl)C1 608886029 MPGGXJPNGNMIDJ-MNOVXSKESA-N 263.772 3.845 30 20 CHED C[C@H](CC1CC1)Nc1nc(C(F)(F)F)ccc1C#N 78836165 ULKSKJPYZCSEDQ-MRVPVSSYSA-N 269.270 3.573 30 20 CHED C[C@@H]1CCSCCN1CCCCC(C)(C)C#N 348161438 NIZPXNURLMQGMC-CYBMUJFWSA-N 254.443 3.534 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2cc[nH]c2c1 620863000 AQSKMQCLPINHLC-UHFFFAOYSA-N 256.349 3.643 30 20 CHED N#CC1(COc2cccc(F)c2Br)CCC1 530125519 HLGQDKIUXADUMY-UHFFFAOYSA-N 284.128 3.661 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2Cl)[C@@H]2CCC[C@@H]21 558992742 XMMXGCNWMMKJPZ-WCQYABFASA-N 275.783 3.622 30 20 CHED C=CCC[C@@H](C)NCc1ccc(OC)c(Cl)c1 718953858 BVZRDVNWOKVLCK-LLVKDONJSA-N 253.773 3.793 30 20 CHED C=CCCOC(=O)c1ccc(F)c(C(F)(F)F)c1 729072770 ZFYCQWBXMDMWFQ-UHFFFAOYSA-N 262.202 3.577 30 20 CHED N#CCc1cccc(NCC[C@H]2CC2(Cl)Cl)c1 399027298 IBIZQZYPFMKMMZ-NSHDSACASA-N 269.175 3.748 30 20 CHED CCCC(CCC)=NNC(=S)Nc1ccc(OC)cc1 6299344 WALDVUBXUINVFV-UHFFFAOYSA-N 293.436 3.938 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 25839963 JWWFCTBFEWDLAN-UHFFFAOYSA-N 281.359 3.510 30 20 CHED Cc1ccccc1NC(=O)Nc1cc(C#N)ccc1C 113557459 WPUISWHWZAIZQG-UHFFFAOYSA-N 265.316 3.819 30 20 CHED CCN(Cc1cccc(F)c1)Cc1cc(C#N)ccc1F 53899204 BFEAZKGMPUIODG-UHFFFAOYSA-N 286.325 3.859 30 20 CHED COc1ccc(Sc2ccc(C#N)cc2[N+](=O)[O-])cc1 22813755 WIXKWNSGDQYODL-UHFFFAOYSA-N 286.312 3.626 30 20 CHED N#CCc1ccc(CN2CC[C@H]2c2ccccc2)cc1 343555651 DBLUIZHYBZXONY-SFHVURJKSA-N 262.356 3.700 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2F)nc(C(C)C)n1 109542393 DDHWVHNALNVIKN-UHFFFAOYSA-N 284.338 3.531 30 20 CHED C=CCNC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 53512403 PIVISPIDEKMSJU-SSDOTTSWSA-N 291.153 3.679 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(C#N)s2)o1 176680425 GYAIDGPRSMVLLP-VOTSOKGWSA-N 257.314 3.671 30 20 CHED C=CC1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 111259484 NRWAIISGUCQKSK-LLVKDONJSA-N 289.404 3.757 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1ccccc1C#N 25615961 KQAKCIGHKNNRCH-RDRICISKSA-N 290.366 3.791 30 20 CHED N#Cc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)o1 173743692 HZCRUPQQXDEKJU-UHFFFAOYSA-N 277.205 3.713 30 20 CHED CSCc1nnc(S[C@H](C)c2ccc(C#N)cc2)o1 118174584 NLBGKBPPMQZMNA-SECBINFHSA-N 291.401 3.658 30 20 CHED N#Cc1ccc(N[C@@H]2CCCC[C@H]2Cc2ccccc2)nn1 301952117 CASIUFNTBZBVSM-DOTOQJQBSA-N 292.386 3.562 30 20 CHED CCc1noc(C)c1COc1c(C)cc(C#N)cc1C 466307643 LVXPCLFLYJYRKT-UHFFFAOYSA-N 270.332 3.613 30 20 CHED C=CC1CCN(C(=O)Nc2c(C)cccc2C)CC1 111707898 USNZKIOSKIOJIA-UHFFFAOYSA-N 258.365 3.733 30 20 CHED C=CCN(C(=O)CC[C@@H]1CCCCO1)c1ccccc1 110195281 GGUAAEAPPQTXQK-INIZCTEOSA-N 273.376 3.555 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H](C)c1ccc(Cl)cc1 60517286 IRITZLDXSZCJET-QWRGUYRKSA-N 283.824 3.825 30 20 CHED CCCCCCCCC(=O)Nc1nc2c(s1)COCC2 171019346 NIOZOYOXKLHZNJ-UHFFFAOYSA-N 296.436 3.905 30 20 CHED CCC1(C)CCN(CCCOc2ccc(C#N)cc2)CC1 60941605 RYRLJSQXQCKRMD-UHFFFAOYSA-N 286.419 3.839 30 20 CHED C=CCCCOC(=O)Cc1csc(-c2ccccc2)n1 117993332 HRHUBQFSELHSFK-UHFFFAOYSA-N 287.384 3.862 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1 66320052 HSJRMGAXGFXSTA-DOTOQJQBSA-N 287.403 3.640 30 20 CHED C=CCOCCN[C@@H](C)c1ccc(Cl)c(Cl)c1 301761260 GSHJKRGWESKFFR-JTQLQIEISA-N 274.191 3.847 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2C)C1 69606937 HQLQXSGZKYMUHM-ZDUSSCGKSA-N 271.364 3.521 30 20 CHED CCc1nc([C@H](C)NCc2ccc(C#N)cc2F)cs1 178790292 VBIGEKSIPQKRBB-JTQLQIEISA-N 289.379 3.567 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1nc(C(C)(C)C)cs1 301214976 ZICUBEWKXOIJLS-SNVBAGLBSA-N 286.404 3.880 30 20 CHED CCCCCCCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 120246343 IHTGXQDHDYAMLU-CQSZACIVSA-N 277.412 3.824 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc(F)cc3ccoc23)c1 1438462757 SQVAFFXGXMAGTA-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CCC(C#N)(CC)C(=O)Nc1sc(C)c(C)c1C#N 602231499 WNOJLDOTCDQXGZ-UHFFFAOYSA-N 275.377 3.505 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(F)c(Cl)c1 129726696 VCXCZNNXMGGLMS-UHFFFAOYSA-N 281.758 3.864 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCC1CCC1 121695082 CLLORYXOLDZDRX-UHFFFAOYSA-N 250.386 3.545 30 20 CHED C=CCC[C@H](NCc1ccccc1-n1ccnc1)C1CC1 120463544 JGMGZOFDDZCUJK-KRWDZBQOSA-N 281.403 3.707 30 20 CHED Cc1cccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1Cl 122589462 SHDKGDKNCMZPLQ-MEDUHNTESA-N 290.794 3.851 30 20 CHED CCc1nc2c(s1)[C@@H](N(C)CC1(CC#N)CC1)CCC2 602798944 YXNNWNMDDPNLIF-ZDUSSCGKSA-N 289.448 3.709 30 20 CHED CC[C@@H](C#N)OC(=O)c1cncc(-c2ccc(C)cc2)c1 127268237 RAFMNTSIDKSIGN-INIZCTEOSA-N 280.327 3.516 30 20 CHED C#CCCCNC(=O)Nc1sc(-c2ccccc2)nc1C 184454656 WJTKTRQZGKNDRS-UHFFFAOYSA-N 299.399 3.653 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)c1cn(C)c2ccccc12 184857770 FHZRVRLYVXOBSU-AWEZNQCLSA-N 284.403 3.706 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 185289013 MQNVMJRRJJIXKJ-HNNXBMFYSA-N 285.431 3.909 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 189578592 CKHZUKTVGYJZKO-IAGOWNOFSA-N 283.415 3.564 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cccc(C)c1C 125927988 MKMUYGRCTVLVDA-HNNXBMFYSA-N 274.408 3.528 30 20 CHED C[C@@H]1C[C@@H]1[C@H](Nc1nccnc1C#N)c1ccc(Cl)cc1 78424158 DYXHUXSURJNUKR-RIEGTJTDSA-N 298.777 3.811 30 20 CHED Cc1cc(NC(=O)[C@@H]2C[C@H]2CC(C)C)c(C#N)cc1N(C)C 415713447 VOUFZRNWUMSVII-UKRRQHHQSA-N 299.418 3.553 30 20 CHED C=C(C)COCCN[C@H](C)c1cccc(Cl)c1 125624471 GDIUSASMMKTLQV-GFCCVEGCSA-N 253.773 3.583 30 20 CHED Cc1cc(OCc2nc(C(C)C)no2)c(C)c(C)c1C#N 314068931 XZRNRUDGCQBHBZ-UHFFFAOYSA-N 285.347 3.569 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 128448523 GVRPLUBBXNLNIZ-XHDPSFHLSA-N 276.355 3.541 30 20 CHED CC[C@H](CC#N)NCc1csc(-c2cccs2)n1 184095283 NYEXXDFWGRQOLB-SNVBAGLBSA-N 277.418 3.653 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H]1C=CCCC1 188504029 ZFQKFSAFMWKXFT-CQSZACIVSA-N 262.397 3.712 30 20 CHED C=CCCCCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412259679 RDXPJLUZJADWKJ-WBVHZDCISA-N 257.377 3.653 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 128687352 CZMIQRLOXZCVIR-QGZVFWFLSA-N 284.403 3.528 30 20 CHED C=CCCCN(C)Cc1nc(C(F)(F)F)cs1 174981663 HSARIEUFPGBAKS-UHFFFAOYSA-N 264.316 3.560 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cccc(Cl)c2)o1 215011498 UPFWMTJJLDAXGF-ALCCZGGFSA-N 290.702 3.616 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cc(Cl)cn1C 120105883 REPAGTRAIPFMHM-LBPRGKRZSA-N 287.794 3.743 30 20 CHED CC#CCCCC(=O)N(CC)c1ccc(C)cc1C 185247599 OLBPSJZUJYNHHT-UHFFFAOYSA-N 257.377 3.850 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(F)c(F)cc1F 189917983 PLOYELDKUUAASR-UHFFFAOYSA-N 298.308 3.648 30 20 CHED CC#CCCCC(=O)Nc1c(C)cccc1SC 184644878 REENCCKUCISWOV-UHFFFAOYSA-N 261.390 3.849 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)C[C@H](C)CC(C)C)cc1 70029213 PWCXPTGWGTUKAR-CYBMUJFWSA-N 297.420 3.713 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)CC(F)F 413233980 VPPAVJJLPVCMDS-JTQLQIEISA-N 296.317 3.575 30 20 CHED C=CCC[C@@H](C)N[C@H](c1noc(C)n1)c1ccccc1F 186315425 YYWUITXJJJROMV-ABAIWWIYSA-N 289.354 3.551 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@H](C#N)c1ccccc1F 410638502 DNVNLNJEHZESCY-SWLSCSKDSA-N 276.355 3.579 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2sccc2C#N)c1 335782514 NSYSFIMNIYGDHA-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 185623887 WEGGAGKYIFQBAT-HZPDHXFCSA-N 283.415 3.749 30 20 CHED C=C(C)CN(C)Cc1cccc(OCC)c1OC(F)F 181048752 FSUXWHATXAIBPT-UHFFFAOYSA-N 285.334 3.695 30 20 CHED C#CCCCCC(=O)Nc1cc(F)c(SC)c(F)c1 130761397 KQRXZQFVHBQKDL-UHFFFAOYSA-N 283.343 3.819 30 20 CHED Cc1cc(Cl)ccc1NC(=O)NCc1cccc(C#N)c1 43172803 PBZOJUGDPPGZCB-UHFFFAOYSA-N 299.761 3.842 30 20 CHED Cc1cc(C)nc(N=C(O)[C@@]2(C)CCc3ccccc3C2)n1 329640492 XDRGSHFFBCNZLK-SFHVURJKSA-N 295.386 3.877 30 20 CHED C=CCSCc1nc(-c2cc(F)c(F)c(F)c2)no1 134026919 AOCSDGSNXVJBSS-UHFFFAOYSA-N 286.278 3.573 30 20 CHED C[C@H](CC1CCCCC1)/C(O)=N/[C@@H]1CCc2nc[nH]c2C1 328919710 BQIQYXWZRSKMOD-TZMCWYRMSA-N 289.423 3.830 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1 132408337 STVYFIPGQDPSJJ-DHZHZOJOSA-N 277.323 3.601 30 20 CHED O/C(CCC1CCOCC1)=N/[C@H]1CCc2c(O)cccc21 329805317 KPEWKDFOTYGBOK-HNNXBMFYSA-N 289.375 3.543 30 20 CHED Cc1ccc(C[C@@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)cc1 424328440 OCGISNBIXQJJLA-CGTJXYLNSA-N 268.404 3.598 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(-c3cccs3)on2)C1 612162250 LTNBIZNPYWYXRF-HNNXBMFYSA-N 287.388 3.529 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)CC(C)(C)OC)c1ccccc1 135928609 QIOKMXZFNUHMKR-HUUCEWRRSA-N 289.419 3.666 30 20 CHED C[C@H]1CCc2sc(C(=O)[C@@H](C#N)c3ccccn3)cc2C1 46706059 VWFCHVWVZXVWBY-AAEUAGOBSA-N 296.395 3.758 30 20 CHED CC(C)CCN(Cc1cc(F)ccc1C#N)C1CC1 229957136 UFPFOMWOYVJQTR-UHFFFAOYSA-N 260.356 3.708 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@@H](C#N)C(C)(C)C)cc1 85438383 QAIOPRJXQRQUDN-BBRMVZONSA-N 286.419 3.797 30 20 CHED N#CC1(C(=O)Nc2ccc(OC(F)F)cc2)CCCCC1 44385453 OURFKSITGGZMBV-UHFFFAOYSA-N 294.301 3.701 30 20 CHED O/C(=N/Cc1cscn1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 328705624 YTZRIULFOQFLEZ-YNEHKIRRSA-N 293.436 3.506 30 20 CHED Cn1cc(CNCCCCCc2ccc(F)cc2)cc1C#N 191618362 PMPXQLOWOFVXRC-UHFFFAOYSA-N 299.393 3.538 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H]2CCC[C@H]21)c1ccccc1 428167464 QQTTUKIVLNDFLE-DJIMGWMZSA-N 269.388 3.747 30 20 CHED CCN(CC#N)C(=O)CCCc1ccc(CC(C)C)cc1 132953000 JZXDNVOAWPSSDR-UHFFFAOYSA-N 286.419 3.580 30 20 CHED C=C(Br)CNCc1ccc(C(C)C)cc1 45044828 PPDZWRMRHDUCLB-UHFFFAOYSA-N 268.198 3.808 30 20 CHED N#Cc1csc(C(=O)Nc2cccc(-n3cccc3)c2)c1 84075329 QXCYLIQXLMPGIL-UHFFFAOYSA-N 293.351 3.663 30 20 CHED Cn1cc(CN[C@H]2CCC(C)(C)c3ccccc32)cc1C#N 190958712 LYEPULYAWRHYSB-SFHVURJKSA-N 293.414 3.799 30 20 CHED Cc1ccc(C(O)=Nc2cnc(C(C)(C)C)nc2)c(F)c1 331110356 KSRYCHJRWSTKLA-UHFFFAOYSA-N 287.338 3.858 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@H](C#N)C1CCCCC1 330525457 JTALYXDPBBRUMA-SWLSCSKDSA-N 264.413 3.647 30 20 CHED C[C@@H](C#N)C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 427506100 QIDQOVXAYDADJD-JTQLQIEISA-N 296.292 3.608 30 20 CHED C[C@H](NCc1nc2ccccc2o1)c1ccc(C#N)cc1 338349651 PCVHNMIWPIWPAX-LBPRGKRZSA-N 277.327 3.550 30 20 CHED CNc1ccc(Cl)c(/C(O)=N/[C@@H](C)C2CCOCC2)c1 330649651 HFQBHPOXXSCOOW-JTQLQIEISA-N 296.798 3.501 30 20 CHED C[C@@H](c1cccs1)N(C)c1ncc2c(c1C#N)CCC2 425208463 OVRKWDDVVXHTQC-NSHDSACASA-N 283.400 3.701 30 20 CHED C=CCN(CC=C)CCC(=O)Nc1cccc2ccccc12 514121679 YTCXZCYNCYMKJO-UHFFFAOYSA-N 294.398 3.842 30 20 CHED CCC1CCC(/N=C(/O)N[C@@H]2CCOC3(CCC3)C2)CC1 330204327 CRANQZVSEXKGSB-YMAMQOFZSA-N 294.439 3.561 30 20 CHED N#Cc1c(Cl)cccc1N1CCO[C@H](c2ccccc2)C1 513112584 BUOHJUVNSSOKRN-KRWDZBQOSA-N 298.773 3.790 30 20 CHED C=C(C)COCCNCc1ccc(F)c(Cl)c1Cl 432255509 QHCGJWAPKKVLOQ-UHFFFAOYSA-N 292.181 3.815 30 20 CHED CC(C)[C@H]1CCN1C(=O)Nc1ccc(CC#N)cc1Cl 334728886 JMQAYOILGRRWRI-CQSZACIVSA-N 291.782 3.668 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](Cc1ccc(C)cc1)C1CC1 436304981 GFJRHPLHCDXIDK-AQNXPRMDSA-N 299.458 3.887 30 20 CHED Cc1ccc(CN(CC2(C#N)CC2)C(C)(C)C)cc1 528591615 IXCOFBLKYCMMMQ-UHFFFAOYSA-N 256.393 3.899 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1cccc2ccccc12)C1CC1 436045787 ZNKODPZKFKINNJ-AWEZNQCLSA-N 295.382 3.784 30 20 CHED Cc1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)ccc1F 435028912 KSJAKVWACDKSLG-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 437883757 PMDBBQPWSQRYNB-ZWNOBZJWSA-N 296.773 3.553 30 20 CHED C=CCCCSCC(=O)NC1C2CC3CC(C2)CC1C3 522758266 OZKPQRVTCCZMBM-UHFFFAOYSA-N 293.476 3.627 30 20 CHED C[C@@H](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccco1 529509319 YAEKMWUZORSUGL-UONOGXRCSA-N 296.370 3.864 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnc(CC(C)C)nc1 349016195 VSJLHLXIVGERSS-CYBMUJFWSA-N 290.411 3.541 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)c2ccc(C#N)cn2)c1 523114622 YEWNABHZKJAYIP-AWEZNQCLSA-N 265.360 3.768 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 527783742 RZABVOIAFJEAMI-NILFDRSVSA-N 275.417 3.555 30 20 CHED C=CCCCCCN(C)c1cc(C(F)(F)F)nc(C)n1 523533908 AOMOMEBFVJBEPF-UHFFFAOYSA-N 287.329 3.986 30 20 CHED CCS[C@H]1CCCC[C@H]1NCCC(C)(C)C#N 527049642 MEUIZNRYDLIFHN-OLZOCXBDSA-N 254.443 3.580 30 20 CHED C=CC1CCN(Cc2nc3ccc(F)cc3s2)CC1 432754139 IWUXIEZONQODSQ-UHFFFAOYSA-N 276.380 3.833 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cn1 342810006 NGVCJSPSJYMIDK-LBPRGKRZSA-N 297.789 3.947 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 343965958 GBTOSQCXHXYGRS-QGZVFWFLSA-N 298.390 3.538 30 20 CHED CCCN(Cc1ccccc1F)c1ncccc1C#N 604491951 IHOYTEIZZRMACZ-UHFFFAOYSA-N 269.323 3.509 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CSc2ccccc21 436412987 SLYAFCVISSJJOD-AWEZNQCLSA-N 277.352 3.689 30 20 CHED C=CCCOCCN[C@@H]1CCSc2c(F)cccc21 181766631 LISOCYOKAUOYOW-CQSZACIVSA-N 281.396 3.545 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCO[C@@H](C)CC(C)C 348540127 DHZUXVPSQXEVOJ-HNNXBMFYSA-N 296.455 3.759 30 20 CHED COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)ccn1 348751132 DNCVSEXECJQRNO-NWDGAFQWSA-N 299.349 3.513 30 20 CHED C[C@@H]1CCN(C[C@H](C)CCC#N)[C@@H](c2ccco2)C1 602483472 RBIRGJSXGNPDRX-RBSFLKMASA-N 260.381 3.992 30 20 CHED C=C(CC)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 539104031 KOPJQYLOIDWYAW-DLBZAZTESA-N 254.377 3.724 30 20 CHED C[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)c(F)c1 344101460 HRFXGZHJDYGAMP-DTWKUNHWSA-N 274.261 3.689 30 20 CHED C=CCC1(c2nc(-c3cc(CC)ccn3)no2)CCC1 347203377 SRCHEGPXQCIKAI-UHFFFAOYSA-N 269.348 3.692 30 20 CHED CCc1ccc(C=NOCc2csc(CC)n2)cc1 255455729 OLXKZDPUGMYYNI-UHFFFAOYSA-N 274.389 3.819 30 20 CHED C=CCN1C(=O)/C(=C\c2cccc(C)c2C)SC1=S 255511295 SETBLFBWBMQCKM-UKTHLTGXSA-N 289.425 3.691 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CC12CC2 527909677 LEVSXNNANOSLLU-ZLIFDBKOSA-N 266.388 3.714 30 20 CHED C[C@H](N[C@@H](C)c1ncccc1F)c1ccc(C#N)cc1 528036883 ZKPUNZWOJGDIQN-RYUDHWBXSA-N 269.323 3.504 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)C1CCCCC1 52343095 IPUNMSSAFOYAOZ-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED Cc1cccc(C(=O)/C=C\c2cccc(O)c2)c1C 254917098 OSVVETSZLONQLN-KTKRTIGZSA-N 252.313 3.905 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(C)sn2)CCCC1(C)C 347476740 BVGZILCNIAOVSV-CYBMUJFWSA-N 278.421 3.658 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@](C)(C#N)CC(C)C)C1(C)C 604540406 XZBOWTNPENVFSN-JKIFEVAISA-N 276.424 3.669 30 20 CHED C=CCCCC[C@@H](C)NCc1nnc(C(C)C)s1 449185065 FTQXPKYHLKHTPW-GFCCVEGCSA-N 267.442 3.886 30 20 CHED N#CCC1(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 602918444 WPMCCQJJUCTCEP-CQSZACIVSA-N 290.357 3.838 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](c2cccs2)C2CC2)C1 447541192 LLEWDKSZJUBMDD-ZLDLUXBVSA-N 260.406 3.871 30 20 CHED Cc1cc(NC(=O)N(CCC#N)CCC(C)C)cs1 603149471 LNUZXHPXZOFAHW-UHFFFAOYSA-N 279.409 3.850 30 20 CHED COCC[C@H](NC1CCC(C)(C#N)CC1)c1ccc(C)o1 449228253 SOLNUJXQJBFQOE-CKDBGZEDSA-N 290.407 3.728 30 20 CHED C[C@H]1CC(C(=O)N[C@@H](C#N)c2ccccc2F)C[C@H](C)C1 355962479 LBTPZQVXMVBVHS-HSMVNMDESA-N 288.366 3.579 30 20 CHED Cc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1C(F)(F)F 448622093 OGOVJYFQVGGXDS-RNCFNFMXSA-N 282.265 3.502 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCC[C@H]2C)c1 359929648 KOXGICHRAYISLN-ABAIWWIYSA-N 256.349 3.609 30 20 CHED COc1ccc(C#N)cc1NCc1coc2ccccc12 354857783 WEBWHEPCTVKVCZ-UHFFFAOYSA-N 278.311 3.925 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(O)cc2Cl)no1 445441972 AJDWPYVWBGRGRG-SECBINFHSA-N 294.738 3.749 30 20 CHED C=C(C)CN1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 441488904 RQGRCIFAEDXUKO-KRWDZBQOSA-N 294.389 3.610 30 20 CHED COc1cc(CNCc2cc3ccccc3o2)ccc1C#N 353246286 ZYXZUBVEGKQRRJ-UHFFFAOYSA-N 292.338 3.603 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)cc2Cl)CCC1 616940845 HMWAWONCEPKNOH-UHFFFAOYSA-N 265.740 3.731 30 20 CHED C=CCCC(=O)Nc1cc(-c2nc(C)co2)ccc1C 268383852 NALHQBCCJRQNHT-UHFFFAOYSA-N 270.332 3.863 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)cc1OC 268119217 BGTPEJVOFOFTOC-UHFFFAOYSA-N 263.312 3.541 30 20 CHED C[C@H]1CCN(Cc2cc(C#N)ccc2F)CC1(C)C 544784562 CSKOFNMVAYNVLL-LBPRGKRZSA-N 260.356 3.565 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C)C2)c1 263658257 OZNXGSTYTSKQNM-CYBMUJFWSA-N 274.364 3.515 30 20 CHED C=CCCCC[C@H](C)NCCc1c(C)noc1C 449129898 WQCIQCYWONPMNB-LBPRGKRZSA-N 250.386 3.558 30 20 CHED Cc1ccc(CCCN[C@@H](C)c2ccc(C#N)cc2)cn1 353935465 ZUKDOLYDSNEXKG-HNNXBMFYSA-N 279.387 3.545 30 20 CHED C=CCN1CCC(N[C@H]2CCCC23CCCCC3)CC1 449122461 LNQCEGBQOZOBOC-KRWDZBQOSA-N 276.468 3.729 30 20 CHED C=CCCC1(C(=O)NCc2nc(C(C)C)cs2)CC1 356423412 IAGRAKSMPTYCKI-UHFFFAOYSA-N 278.421 3.629 30 20 CHED N#Cc1cc(F)c(NCCCc2cccs2)c(F)c1 538788068 IBEAVIKAUZNLLU-UHFFFAOYSA-N 278.327 3.943 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(C(F)(F)F)CCC1 450427145 RQSUMIJOJKPWJW-SNVBAGLBSA-N 263.303 3.580 30 20 CHED Cc1cc(C)c(CN[C@H](C)c2ccc(C#N)c(F)c2)cn1 453345833 FOSQFQWQPSMMIE-CYBMUJFWSA-N 283.350 3.560 30 20 CHED C=C(C)CN[C@H](CCOC)c1cccc(C(F)(F)F)c1 451689642 JUZXZMRHKCRUSN-CQSZACIVSA-N 287.325 3.949 30 20 CHED C=C(C)CN(CC)C(=O)c1sccc1SC 264393340 QWWIYVTXVGHBQL-UHFFFAOYSA-N 255.408 3.508 30 20 CHED CC#CCCCC(=O)N1CC[C@@](C)(c2ccc(C)cc2)C1 364248400 ARNBORHOQVMIIA-LJQANCHMSA-N 283.415 3.679 30 20 CHED C=CCC(C)(C)c1noc([C@H]2Cc3c(C)cccc3O2)n1 453190166 SPXPHGWNSXLFHV-CQSZACIVSA-N 284.359 3.908 30 20 CHED CC(C)[C@@H](C#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 611252465 JCIAULBMBSCBAY-JOYOIKCWSA-N 299.201 3.761 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCC(C)(C)CC#N)C1 459242597 RYPARGOCKCEAIU-GDBMZVCRSA-N 299.418 3.719 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCC1 610550627 BPPVRSHGRKPBKL-GFCCVEGCSA-N 287.407 3.880 30 20 CHED CCC1(NC(=O)[C@@H](C)c2cccc(C#N)c2)CCCCC1 456229834 KNVJXQWXJULZEB-AWEZNQCLSA-N 284.403 3.891 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1c(F)cccc1Cl 450036127 VCMONEJSZXFPLW-VIFPVBQESA-N 269.747 3.869 30 20 CHED C=CCN(C(=O)c1ccc(CSCC)cc1)C1CC1 271582329 VNYHYKLJPSFFNF-UHFFFAOYSA-N 275.417 3.730 30 20 CHED C[C@@H](C(=O)N1CC[C@@H](CC(C)(C)C)C1)c1cccc(C#N)c1 457089781 RXYVSZITJYMILL-ZBFHGGJFSA-N 298.430 3.946 30 20 CHED C=CC(C)(C)CNC(=O)c1cnn(C2CCCC2)c1CC 452772031 CNZTTYPSONNXNS-UHFFFAOYSA-N 289.423 3.503 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 453304195 FJJKBSBDUKRROH-GFCCVEGCSA-N 292.379 3.856 30 20 CHED CC[C@H](CC(F)(F)F)Nc1ccc(C#N)cc1F 544841015 DQBPHLWLGRFUNF-SECBINFHSA-N 260.234 3.840 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 455324338 MBJMTZHWIOHBPF-RCCFBDPRSA-N 298.430 3.930 30 20 CHED C=C(C)[C@@H](NC(=O)/C(C)=C/C)c1ccc(F)c(F)c1 274661611 VTEIWAYPWMRKQG-AZWQULSGSA-N 265.303 3.664 30 20 CHED C=CCC[C@H](NCc1c(C)noc1C)c1ccco1 276477504 RBACYZQXYLKLEZ-AWEZNQCLSA-N 260.337 3.682 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@H](C)CCSCC 458813113 RYOXMFCSBQKNRF-CYBMUJFWSA-N 286.485 3.762 30 20 CHED C=C(C)CCNC(=O)Nc1c(C)cccc1SC 455163036 RWWORHDDXQABEB-UHFFFAOYSA-N 264.394 3.805 30 20 CHED Cc1cnc([C@H](C)Nc2ncc(Cl)c(C)c2C#N)s1 273368495 RILWNSLXAZIOKU-VIFPVBQESA-N 292.795 3.853 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC[C@@H](C)C1 540644474 JUJKXZDAAMCHOH-ZBFHGGJFSA-N 287.403 3.646 30 20 CHED C=C(CC)CSc1nnc(-c2ccccc2F)n1C 540213223 PVILFEUXZUQLES-UHFFFAOYSA-N 277.368 3.680 30 20 CHED CC[C@H]1c2ccsc2CCN1C(=O)CC(C)(C)C#N 278629252 XXYUWFHKDNVHRL-LBPRGKRZSA-N 276.405 3.524 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccc(F)cc1C#N 549194963 PQIUXLVJOFOGRP-QWRGUYRKSA-N 289.354 3.644 30 20 CHED C=CCCN(C)C(=O)[C@@H](Oc1ccccc1)c1ccccc1 466638777 GTSUMWIXWABGHP-SFHVURJKSA-N 295.382 3.841 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1cccc(OCCC)c1 467993935 MOIUGOXKXFXLCA-SFHVURJKSA-N 289.419 3.736 30 20 CHED CCCC1(CNC(=O)c2cc(C#N)ccc2Cl)CC1 285829457 XOJFUQCXUCRYQZ-UHFFFAOYSA-N 276.767 3.522 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1Cl 559359945 XYJDDNUCRUTXJB-UONOGXRCSA-N 283.774 3.885 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(CC#N)c2ccccc2)C[C@H]1C 460067195 QZXUAZBZHRUPSA-RBSFLKMASA-N 270.376 3.615 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)c1cccc(C#N)c1 461901939 JCBYTWCSTPLWIU-YSVLISHTSA-N 284.403 3.747 30 20 CHED N#Cc1ccc(C2=CCN(Cc3cccc(O)c3)CC2)cc1 374282679 GPAFRQWANGZXDK-UHFFFAOYSA-N 290.366 3.553 30 20 CHED CC#CCCCC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 469752440 MMMSFRJJUNKYOR-CVEARBPZSA-N 263.425 3.901 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 285046503 JPQQBKLIJDSVDL-VXGBXAGGSA-N 290.382 3.526 30 20 CHED CC#CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 463046904 CWFCGOLYXMFGSK-UHFFFAOYSA-N 299.443 3.895 30 20 CHED CC[C@]1(CN[C@H]2CCC[C@@H](C#N)C2)OCCc2ccccc21 289926968 VGRNQFRGYIVAKE-HHXXYDBFSA-N 298.430 3.537 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 631655167 OCODZCAWEBMFAS-XZJROXQQSA-N 281.346 3.739 30 20 CHED CC#CCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 462313659 IQWQDHFJFQRMRU-CZUORRHYSA-N 257.377 3.781 30 20 CHED C=C(C)Cn1c(N2CCC(C)=C(C)C2)nnc1C(C)(C)C 460552182 KMUYJQFIGANCFT-UHFFFAOYSA-N 288.439 3.698 30 20 CHED Cc1csc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1C#N 288884512 RSUMWIDKAVVAJQ-RISCZKNCSA-N 262.378 3.549 30 20 CHED C=CCN(C(=O)c1ccc(-c2csc(C)n2)cc1)C1CC1 281904742 QWONECBCTCFKJS-UHFFFAOYSA-N 298.411 3.909 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](c1nccn1C)C1CC1 637929800 PIDWDVWAIXCMRK-QGZVFWFLSA-N 281.403 3.559 30 20 CHED C=CCOCCNC(C)(C)c1cccc(Cl)c1F 555427684 HVPTUJOJFMXECP-UHFFFAOYSA-N 271.763 3.506 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc2nc(C3CC3)sc2c1 806243679 QTIPUTAUBOYYHI-NSHDSACASA-N 299.399 3.707 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CC1 476117760 KCGYOOKWODFWQI-GJZGRUSLSA-N 261.409 3.818 30 20 CHED N#Cc1ccc(CNCCCCCCCCCCCO)o1 291648379 CIYVSWFVWNNUSV-UHFFFAOYSA-N 292.423 3.744 30 20 CHED C=CCOCCCN1CC[C@@H](c2ccccc2)[C@@H](C)C1 470766756 RPTPQRPENBVPEO-FUHWJXTLSA-N 273.420 3.705 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CC12CCCCC2 479574076 FVYGVAPXYYLLME-AWEZNQCLSA-N 276.424 3.936 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(Cl)cc2)[C@H]1SC 807942282 NVSNSXCUYRFPQD-CHWSQXEVSA-N 284.812 3.648 30 20 CHED C=CCCCCCCNC(=O)NCc1ccoc1C 804977741 XUVBUHOMPFSNPC-UHFFFAOYSA-N 264.369 3.524 30 20 CHED N#CCCC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 567906210 ORXMMIYHBAVCMJ-RQOWECAXSA-N 290.357 3.994 30 20 CHED C=CCCCCCCCCNC(=O)N(C)C1CC1 807592277 POHZKLDAPQXCGP-UHFFFAOYSA-N 252.402 3.707 30 20 CHED C=CCCc1ccccc1NC(=O)CC1(COC)CC1 567927678 MRQORVBLSQVAMG-UHFFFAOYSA-N 273.376 3.560 30 20 CHED C=CCCCCCCNC(=O)NC[C@H]1CCCSC1 807572204 DDKFVQCOCSDHDR-CQSZACIVSA-N 284.469 3.565 30 20 CHED CCN(Cc1cncc(OC)c1)[C@H](C)c1ccc(C#N)cc1 290242307 JGXDMWSMMROWHV-CQSZACIVSA-N 295.386 3.545 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccccc1C)C1CC1 563683621 WPYGSHUXOAFJQS-UFYCRDLUSA-N 299.458 3.887 30 20 CHED Cc1cc(C(=O)/C=C\c2cn(C(C)C)nn2)cc(C)c1F 806573352 ILBSCJZYZPWSMB-WAYWQWQTSA-N 287.338 3.511 30 20 CHED CN(Cc1c(Cl)cccc1Cl)C(=O)CCCC#N 292720651 UADXCBMDAJVGBB-UHFFFAOYSA-N 285.174 3.646 30 20 CHED CC[C@H](CC(=O)Nc1cccc(C#N)n1)c1ccc(C)cc1 565009662 MLANFZDCRYSYNB-CQSZACIVSA-N 293.370 3.784 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(C3CC3)c2)C1 569738488 CZBHCVVYGJECOO-ACJLOTCBSA-N 282.387 3.766 30 20 CHED C[C@@H](C#N)OCCN1CCCSc2ccc(Cl)cc21 801934273 IZZGSACCEAAZGF-NSHDSACASA-N 296.823 3.571 30 20 CHED C=CCCCCCCCCNC(=O)Nc1cc(C)n(C)n1 806360538 HYCVQLDTLGPJIV-UHFFFAOYSA-N 292.427 3.767 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1C 806265208 LRTTUQDLGNLZFD-CQSZACIVSA-N 294.354 3.931 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2cc3ccccc3s2)nn1 806572438 FZJBOEYIBYRACU-BQYQJAHWSA-N 297.383 3.970 30 20 CHED C#Cc1cccc(NC(=O)N2CC(C)(C)[C@@H]2C(C)C)c1 292616014 KXGLTJZBCZIIKT-HNNXBMFYSA-N 270.376 3.566 30 20 CHED C=CCC(C)(C)c1noc(-c2cn(C(C)C)nc2C)n1 566479970 FBAWBYHYRJDCCK-UHFFFAOYSA-N 274.368 3.676 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 806140776 MLRHNYKTTMADCZ-HNNXBMFYSA-N 290.366 3.791 30 20 CHED C#C[C@H](NC(=O)CCCc1cc(C)sc1C)C(C)(C)C 807879730 IKNBRHYSUKENQI-HNNXBMFYSA-N 291.460 3.852 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1Cc2ccccc2C1 291025928 NAWIXSMIQZBEBQ-UHFFFAOYSA-N 294.402 3.642 30 20 CHED C=CCCOC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801900549 PVNZWXGEDFJHGW-NSHDSACASA-N 276.229 3.835 30 20 CHED CCC(CC)C(=O)Oc1c(Cl)cc(C#N)cc1OC 298178331 YDIGXQFUQNNJNA-UHFFFAOYSA-N 281.739 3.562 30 20 CHED Cc1cccc([C@H](C)N=c2[nH]ccc(C#N)c2Cl)c1C 561232036 NJIMMUNQBQNMFC-LBPRGKRZSA-N 285.778 3.819 30 20 CHED C=CCN(CCC#N)C(=O)CCCCCC(C)C 814134146 BJOZUQHUWSQPQH-UHFFFAOYSA-N 250.386 3.521 30 20 CHED C=CCC(F)(F)C(=O)NC[C@@]1(C)CCCc2ccccc21 815946909 JGJYJNJUTMROBK-MRXNPFEDSA-N 293.357 3.608 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc(F)cc1F 811687269 NATCECNFQSEIPS-DAXSKMNVSA-N 287.240 3.872 30 20 CHED Cc1cccc([C@H]2CCN(c3nccc(C#N)c3Cl)C2)c1 561265468 CCODWFWULMWGBQ-HNNXBMFYSA-N 297.789 3.909 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1c1ccc(C)o1 488977107 LBLMQUGSVJBHQI-CQSZACIVSA-N 284.359 3.553 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 811947903 SMMOUCFCUWCABD-MRXNPFEDSA-N 283.758 3.753 30 20 CHED CC(=O)c1ccc(F)cc1OCc1cccc(F)c1C#N 488289063 TUDKXCHFNAPEIJ-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C[C@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)C1CC1 813215518 HQTNGHTWBRYICT-BXKDBHETSA-N 296.292 3.713 30 20 CHED C=C(C)CCOC(=O)c1cnc2c(F)ccc(F)c2c1 815354489 QYUVVJVMBSYCMR-UHFFFAOYSA-N 277.270 3.636 30 20 CHED C=CCCCCCCCNC(=O)N[C@@H]1CCOC(C)(C)C1 811899142 YPJWJEQCNGNBQJ-OAHLLOKOSA-N 296.455 3.770 30 20 CHED CCCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccn1 814681847 DJGBFISHBXUVKO-UHFFFAOYSA-N 284.319 3.606 30 20 CHED C=CCn1cccc1C(=O)N(C)CCCCc1ccccc1 489064378 BQCJNNPBUAPBIX-UHFFFAOYSA-N 296.414 3.769 30 20 CHED C=CCC1(c2nc(-c3n[nH]c4ccccc34)no2)CCC1 575539362 NLVCDJLFHKFVSW-UHFFFAOYSA-N 280.331 3.611 30 20 CHED N#CCCC1CCN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 572244589 ABEPYQSJEWLNNN-DLBZAZTESA-N 288.435 3.745 30 20 CHED Cl/C=C\CON=C1CCCC[C@@H]1N1CCCCC1 811669342 OACYXBIJERDVHW-GIGDBREJSA-N 270.804 3.540 30 20 CHED CC#CCNC(=O)Nc1c(CC)ccc(Cl)c1CC 483863897 VMYIFSAPZXRANO-UHFFFAOYSA-N 278.783 3.610 30 20 CHED N#Cc1ccc(F)c(COC(=O)[C@@H]2CC3CCC2CC3)c1 814493769 DNHGSVJSNQCGDH-ABIUDSBCSA-N 287.334 3.567 30 20 CHED CN(C/C=C\c1ccc(F)c(F)c1)Cc1cccc(C#N)c1 575218182 UNQYXZMVALYDBM-UTCJRWHESA-N 298.336 3.982 30 20 CHED CCCc1[nH]ccc1C(=O)N(CCC#N)c1ccc(C)cc1 817524374 SUZNLOOBJNLFRM-UHFFFAOYSA-N 295.386 3.836 30 20 CHED C=CCCC(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 489288612 HUJKHHBREQOPEK-UHFFFAOYSA-N 295.795 3.707 30 20 CHED C=CCCNCc1cc2ccccc2nc1N1CCCCC1 657582764 FLVJRKURXJZYNO-UHFFFAOYSA-N 295.430 3.891 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](c1ccccc1)C1CC1 489824982 LCRQQNVUXGZEGF-INIZCTEOSA-N 271.404 3.899 30 20 CHED C[C@@H](C#N)CN(C)CCCSc1ccccc1Cl 489577274 LRDABXMBOXVLSF-LBPRGKRZSA-N 282.840 3.914 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C(F)F)nc1 658003734 PBXSXORYTRDSPE-WHOFXGATSA-N 296.361 3.651 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(C)nn(C)c2Cl)s1 812494272 GPMMSRWOQLRDFB-AATRIKPKSA-N 280.780 3.648 30 20 CHED CC(C)(C)[C@H](NC[C@H](C#N)CCC#N)c1ccccc1 572834564 QXYKHWKFYDDUDK-GOEBONIOSA-N 269.392 3.807 30 20 CHED CC(C)CCCCC(=O)N1CCC(CCC#N)CC1 570634243 RSAHGFVZXDWPOJ-UHFFFAOYSA-N 264.413 3.745 30 20 CHED COc1ccc(NN=C2COc3cccc(Cl)c32)cc1 814885010 ITBWTIUODFAAGQ-UHFFFAOYSA-N 288.734 3.557 30 20 CHED N#CCC1(OC(=O)[C@H]2CCc3c(Cl)cccc32)CCC1 810859017 AFIIXLOZEBLBKT-ZDUSSCGKSA-N 289.762 3.749 30 20 CHED C=CCCCCOC(=O)[C@@H](CCC)c1ccccn1 811010027 GJEZGHCVLYLKAL-AWEZNQCLSA-N 261.365 3.865 30 20 CHED C#CCCCOC(=O)[C@@H](C)c1cccc(Br)c1 812609144 XRWGOMLZRNTDEG-NSHDSACASA-N 295.176 3.509 30 20 CHED O=C(O)c1cccc(C=NNc2ccc(F)cc2)c1Cl 814693556 XSRLIPKKMCVWRI-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Cc1ccccc1-c1cnc(CN(C)CC(C)(C)C#N)o1 575940108 YZZKGEMEULGQLW-UHFFFAOYSA-N 283.375 3.632 30 20 CHED Cc1cccn2cc(CNc3ccc(C#N)cc3Cl)nc12 486549934 OZCHJJRSGSCHQG-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=CCOCCCC(=O)N(C)C1CCC(CCC)CC1 483086218 HLTDYTHHBSTPNU-UHFFFAOYSA-N 281.440 3.787 30 20 CHED CCCCC[C@H](C)NC(=O)CC1(C#N)CCCCC1 820925451 YBOBRFURRHBBTB-AWEZNQCLSA-N 264.413 3.936 30 20 CHED C#Cc1cccc(NC(=S)NCCC2=CCCCC2)c1 726435850 GVRPLMKLXVCFSP-UHFFFAOYSA-N 284.428 3.845 30 20 CHED N#Cc1cc(F)ccc1CN1CCC[C@@H]1c1ccc(O)cc1 728569823 PHNGHJCRJLYWAU-GOSISDBHSA-N 296.345 3.740 30 20 CHED CCC[C@@H](CCc1ccccc1)NC(=O)C#CC(C)C 828621170 IRFVHJRVSJYPMH-KRWDZBQOSA-N 271.404 3.564 30 20 CHED CCC[C@@H](CC)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 823800850 QYHPIDQCSOMBBS-UKRRQHHQSA-N 272.392 3.904 30 20 CHED N#Cc1cccc(CNCCCCCCCN2CCCC2)c1 729682075 JMEIPPMSTMZDRE-UHFFFAOYSA-N 299.462 3.694 30 20 CHED c1ccc(CCCNN=C2CCN(C3CCCC3)CC2)cc1 729145276 NDCPNCGBYXPPHA-UHFFFAOYSA-N 299.462 3.603 30 20 CHED O=[N+]([O-])c1ccccc1-c1ccc(C=NNC2CCCC2)o1 727652412 OVLIZSOZLIWNMI-UHFFFAOYSA-N 299.330 3.721 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)/C=C/C=C\C)c1 728182415 OPLPGYYJAZNUCI-YXMBOXQASA-N 291.350 3.926 30 20 CHED CC[C@H](O)CNN=Cc1ccccc1-c1ccc(C)cc1C 901238576 FVMQVWGSGIDODG-KRWDZBQOSA-N 296.414 3.665 30 20 CHED C#C[C@H](NCc1csc(C)n1)c1ccc(Cl)cc1F 491396667 ZFLVIGCLXXDYQD-AWEZNQCLSA-N 294.782 3.708 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nc3ncc(Cl)cc3o2)C1 901670990 BIKXNTAHYQRUOH-VXNVDRBHSA-N 279.752 3.661 30 20 CHED Cc1cc(SC[C@@H]2CCC[C@@H](O)C2)ccc1C#N 582786148 WSFUDTPDYQJDHV-TZMCWYRMSA-N 261.390 3.510 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)OCC1(C#N)CCC1 588477922 BCHJUDZNLDYKRM-WQLSENKSSA-N 289.762 3.980 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)CC(C)(C)C 581264474 RXOMVQYHPWLJKP-UHFFFAOYSA-N 276.428 3.604 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(F)cc2C)cc1 731319958 SPMWQNWFVUUHMV-YHYXMXQVSA-N 298.313 3.817 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1 730894537 RZPNKCWTGVLLRO-JTQLQIEISA-N 286.718 3.525 30 20 CHED CCc1ccc(F)cc1C(=O)N(O)Cc1ccc(F)cc1 901372291 WEAMPFNSCBLGIF-UHFFFAOYSA-N 291.297 3.559 30 20 CHED CC(C)(C)C#CC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 837396606 TXJVOAHXMDPCCQ-KRWDZBQOSA-N 287.378 3.833 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(F)c(Cl)cc2F)C1 839052440 GPQXDPJCQOUFTE-DTWKUNHWSA-N 299.704 3.857 30 20 CHED COc1cccc(C(=O)/C=C\c2cccc(OC)c2F)c1 588619105 PEOSYUCMYKEOQY-KTKRTIGZSA-N 286.302 3.739 30 20 CHED C=CCON=C1CCc2[nH]c3ccc(C)cc3c2C1 835013303 QDTNDZNNAFBKLK-UHFFFAOYSA-N 254.333 3.524 30 20 CHED N#CCCCCCC(=O)N[C@H](c1ccccc1)C(F)(F)F 588375952 XDQFCUOOTORNRO-CQSZACIVSA-N 298.308 3.880 30 20 CHED N#Cc1cc(F)ccc1COC(=O)/C=C\C1CCCCC1 735560583 BNUSVBHBAFEHDQ-TWGQIWQCSA-N 287.334 3.877 30 20 CHED C=C(CC)COC(=O)c1cn(CC(C)C)nc1C(F)F 835662987 UFVVDSBYGOUCJL-UHFFFAOYSA-N 286.322 3.600 30 20 CHED C#CCCCC(=O)N1CCCc2cc(C)cc(Cl)c21 839448628 GLRSPSLBJZLYHL-UHFFFAOYSA-N 275.779 3.731 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)CC2CC(F)(F)C2)n1 835200121 FZOCJPMGPPHESO-SNVBAGLBSA-N 298.358 3.878 30 20 CHED CCC(COC)=NNc1ccccc1C(F)(F)F 735970819 JCXRVAGVXFYRTC-UHFFFAOYSA-N 260.259 3.530 30 20 CHED C=CC[C@H](C)NC(=O)/C=C\c1ccccc1O[C@H](C)CC 735068147 UDNUOTVAKMJKDS-HWPRQXRUSA-N 287.403 3.958 30 20 CHED COc1cccc(/C=N/CCc2cc3ccccc3o2)c1O 739426163 JQIXJUBYGRWTEP-XDHOZWIPSA-N 295.338 3.809 30 20 CHED CSC[C@@](C)(C#N)NC(=O)C[C@H](C)CCC=C(C)C 582666873 BDUWPSJTIIFNPV-UKRRQHHQSA-N 282.453 3.520 30 20 CHED CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 835349476 WGSBLFHCAFGUDD-KGLIPLIRSA-N 295.386 3.878 30 20 CHED O=C(c1ccc(Cl)cc1)N(O)Cc1ccc(F)cc1 901379156 QUXRZGVIOOFEDX-UHFFFAOYSA-N 279.698 3.511 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 586819153 OWWMNMSIFWXAQC-IUODEOHRSA-N 295.386 3.673 30 20 CHED CCC/C(C)=C\C(=O)N[C@@](C)(C#N)CCc1ccccc1 732105994 PWFLMMSQWRMJIY-XXTMNZORSA-N 284.403 3.764 30 20 CHED CCCCCCCCCOC(=O)[C@H]1C[C@H]2CC[C@H]1O2 733841756 OWHXSICLJGPQPN-QLFBSQMISA-N 268.397 3.848 30 20 CHED C=CCc1ccc(OC(=O)C(C)(C)C=C)c(OC)c1 839219638 MMHXNTRJXVJZPU-UHFFFAOYSA-N 260.333 3.541 30 20 CHED C=CCCCCC(C)=NNc1ncncc1Cl 834973038 RUGNMAOZNWZCGY-UHFFFAOYSA-N 252.749 3.664 30 20 CHED CCC(=NNC(=S)Nc1ccc(C)cc1)C(C)C 915923323 LGANKAXXZWGBSF-UHFFFAOYSA-N 263.410 3.703 30 20 CHED C=CCN(C(=O)CSc1ccc(Cl)cc1)C(C)C 914683463 OTHDZVZXELXTLV-UHFFFAOYSA-N 283.824 3.855 30 20 CHED C(=NOCc1ccccc1)c1csc(-c2ccccn2)n1 915959217 AAARUEFGWXDVNQ-UHFFFAOYSA-N 295.367 3.756 30 20 CHED C#CCCCCCC=NNc1cccc([N+](=O)[O-])c1 834918038 RFIICSGOYPSYRL-UHFFFAOYSA-N 259.309 3.576 30 20 CHED COC1([C@@H](C)Nc2cccc(OCCCC#N)c2)CCC1 595023348 PINDUTDCVPRSJN-CQSZACIVSA-N 288.391 3.739 30 20 CHED C=C(C)COCCNC(=O)Nc1c(C)cc(C)cc1Cl 675566227 GPANFIWBJSMNGD-UHFFFAOYSA-N 296.798 3.671 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2occc2C)c1 742371338 RDZIWJNVXDDAAZ-HNNXBMFYSA-N 284.359 3.559 30 20 CHED CC(CCc1ccccc1F)=NOCc1cccnc1 746578098 YSNPBWKFCPRPDU-UHFFFAOYSA-N 272.323 3.746 30 20 CHED COc1cccc(C(C)=NNc2cccc(C)c2)c1 916255172 HITRXOYKODWOIB-UHFFFAOYSA-N 254.333 3.840 30 20 CHED CCc1ccc(-c2csc(NC(=O)[C@H](C#N)CC)n2)cc1 593458647 URMPZVUFJQTMCH-LBPRGKRZSA-N 299.399 3.861 30 20 CHED C=C[C@H](CC(=O)N(OCC)C(C)C)c1ccccc1 844077218 HJXVJAYLNPBLFK-CQSZACIVSA-N 261.365 3.535 30 20 CHED CCCN(CC(F)(F)F)C(=O)CC1(C#N)CCCCC1 596999644 GFODUSHGUZPJNP-UHFFFAOYSA-N 290.329 3.651 30 20 CHED Cc1ccc(C(C)(C)CNc2ccc(C#N)cc2F)nc1 599137956 VOYQHFPNAVMIKD-UHFFFAOYSA-N 283.350 3.791 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C 594456533 PTWDSKLHKRDFAM-HNNXBMFYSA-N 299.418 3.765 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1c1ccc(C)cc1 911611316 CBGVQKPPBTZIKU-OAHLLOKOSA-N 274.433 3.583 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H]([C@@H](C)O)C1 747393734 FHEWGMWPKJFHPP-CVEARBPZSA-N 298.471 3.539 30 20 CHED CCCCCCC[C@H](C)CNc1ccc2nnc(C)n2n1 917523827 XGERSEYWWVPXEP-ZDUSSCGKSA-N 289.427 3.841 30 20 CHED Cc1ccc(C=NNc2oc(C(C)(C)C)nc2C#N)cc1C 746498080 HQXQLOZWQYYSKY-UHFFFAOYSA-N 296.374 3.907 30 20 CHED C=CCCSCCNCc1cc2cc(OC)ccc2o1 594960609 VXTJDUIJGQWCAT-UHFFFAOYSA-N 291.416 3.840 30 20 CHED CC(C)(C)c1ncc(/C=C2\Cc3cc(F)ccc3C2=O)cn1 840718729 ZYOWLWNVIPPVPN-AWNIVKPZSA-N 296.345 3.736 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 594087980 NTURBDZGFHBCQY-RRFJBIMHSA-N 284.403 3.737 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1 844417146 SEKNVTMOZXJQMI-KNXALSJPSA-N 269.344 3.599 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1cc[nH]c1C(C)C 845526323 UVKCJKUCQKFNSJ-MRXNPFEDSA-N 279.380 3.524 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC12CCCCC2 594000684 JPWKWRJKQWUPLK-YOEHRIQHSA-N 296.414 3.576 30 20 CHED C=CCC(C)(C)C(=O)N1CCn2c(Cl)ccc2[C@H]1C 848086132 DKOLVTGJHNSXHL-LLVKDONJSA-N 280.799 3.647 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@@H](C)C1CC1 681592814 IYXLPTOGMQXZQL-GFCCVEGCSA-N 275.417 3.741 30 20 CHED Cc1ccc(CCNCc2cc(C#N)cs2)cc1C 594974299 WNNMHSJPIHDXAW-UHFFFAOYSA-N 270.401 3.569 30 20 CHED C=CCOCC(=O)N[C@@H](c1ccc(CCC)cc1)C(C)C 591122314 BHTQFCGJAKRALH-GOSISDBHSA-N 289.419 3.655 30 20 CHED Cc1cc(C)cc(C[C@H](C)/N=C\c2cccc(O)c2O)c1 741844865 QNXIAOJSRPJALP-KVMVOAJRSA-N 283.371 3.765 30 20 CHED CC(C)N(Cc1ccco1)C(=O)/C=C/c1ccccc1C#N 914485131 WLOFLKKPZDFWNW-MDZDMXLPSA-N 294.354 3.602 30 20 CHED Fc1ccc(F)c2c1CCC2=NNc1ccccc1 749603744 MGLXDMSXKAQGDG-UHFFFAOYSA-N 258.271 3.727 30 20 CHED CCOc1ccc(/C=N/Cc2ccc(C)s2)c(O)c1 915982254 URUDJCIKZSXWOQ-CXUHLZMHSA-N 275.373 3.780 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCCc4scnc43)CC2)c1 599037430 BFUVVOCFIIGDNT-AWEZNQCLSA-N 295.411 3.671 30 20 CHED C[C@H](C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 593015994 GHRKYGUJJKMMAB-LBPRGKRZSA-N 290.794 3.786 30 20 CHED CCC(C[C@H](C)CC)=NNc1ccc(C(=O)O)cc1 915933666 NGYDHWRDIOTFKT-LLVKDONJSA-N 262.353 3.999 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H](c2cccc(F)c2)C1 595300088 MJSAFBDTBHLOPN-FUHWJXTLSA-N 280.346 3.880 30 20 CHED CC(C)(C#N)CCCCSCc1cn(C(C)(C)C)nn1 596383122 BWNGTNULOWSEOP-UHFFFAOYSA-N 294.468 3.986 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccnn2CC(C)C)c1 843269823 ULIZYYURIWRUPW-CMDGGOBGSA-N 298.386 3.834 30 20 CHED Cc1cccc2c(C(=O)N3CCC[C@@H](CC#N)C3)coc12 597902224 QPMBCAZPMNZRQL-ZDUSSCGKSA-N 282.343 3.507 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccnn1CC(C)C 843270272 XZYJWEUKCKRMPL-HJWRWDBZSA-N 268.360 3.744 30 20 CHED Cc1cc(C)cc(C[C@@H](C)/N=C\c2cccc(O)c2O)c1 741844857 QNXIAOJSRPJALP-AXLWCPOOSA-N 283.371 3.765 30 20 CHED Cc1ncccc1C=NOCc1ccc(C(F)(F)F)cc1 746575343 BBZJCBZCNDUXMO-UHFFFAOYSA-N 294.276 3.960 30 20 CHED CC1(C)/C(=C/c2ccc(C(=O)O)cc2)C(=O)c2ccccc21 920069830 CSMFHNDKGCXJBO-LFIBNONCSA-N 292.334 3.942 30 20 CHED CCc1ccc(C(C)=NO[C@H]2CCCCO2)s1 755821052 YVMNTUBDLDENEU-ZDUSSCGKSA-N 253.367 3.578 30 20 CHED Cc1cc2c(cc1[N+](=O)[O-])N(CCCC(C)(C)C#N)CC2 754112800 HCORQOSISINSES-UHFFFAOYSA-N 287.363 3.596 30 20 CHED C[C@H](CC(=O)O[C@H](C#N)C1CCCCC1)c1ccco1 859813834 OIMLEAIJUYBKJY-IUODEOHRSA-N 275.348 3.789 30 20 CHED COc1ccc(NN=C2c3ccccc3C[C@@H]2C)cc1 750946639 YDXTZXOGPDVWEC-LBPRGKRZSA-N 266.344 3.704 30 20 CHED N#Cc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)ccc1F 756266746 LGUKEOTZEMHYPB-AWNIVKPZSA-N 298.704 3.843 30 20 CHED Clc1cc(Br)ccc1NN=Cc1ccc[nH]1 750937817 MNFXEQJWDZTUNW-UHFFFAOYSA-N 298.571 3.877 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)Cc1ccccc1 851204133 KIABXXIBCXXUPW-KBPBESRZSA-N 273.376 3.737 30 20 CHED C=CCC[C@H](CCC)NC[C@H](c1ccnn1C)C(C)C 682643168 JWWUIGBNEMLRCJ-HOTGVXAUSA-N 277.456 3.884 30 20 CHED C#CCCCC(=O)Nc1cccc(-c2nccs2)c1 758106848 VAQZEXGEESPHMB-UHFFFAOYSA-N 270.357 3.552 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H]2C[C@H]2C1 856058264 HBXLQVZYYCDINV-CABCVRRESA-N 251.414 3.996 30 20 CHED CN(C(=O)c1cc(Cl)cs1)c1ccc(C#N)cc1F 758228540 XTSWLFAXUCKGBM-UHFFFAOYSA-N 294.738 3.689 30 20 CHED Fc1ccc(Oc2ccc(C=NOC3CCC3)cn2)cc1 853348022 XGDYPFSBGIWGOP-UHFFFAOYSA-N 286.306 3.916 30 20 CHED C#CC[C@H](NC(=O)N(CC(C)C)C(C)C)c1ccccc1 757771817 KWQJCJYQLMZELX-KRWDZBQOSA-N 286.419 3.827 30 20 CHED Cc1cc(C(=O)O[C@H](C)CC(C)(C)C#N)sc1C 851212740 AUMOEAMPMBECDQ-SNVBAGLBSA-N 265.378 3.850 30 20 CHED C#CCCCC(=O)Oc1ccc(Cc2ccccc2)cc1 758179105 PHMDSPVCWKLVIJ-UHFFFAOYSA-N 278.351 3.986 30 20 CHED C=CC(C)(C)C(=O)Nc1cnc(C)c(Br)c1C 928743860 PHSLORGOHFJAEO-UHFFFAOYSA-N 297.196 3.612 30 20 CHED C=C(Cl)CSCC(=O)Nc1ccc(C)c(F)c1 853783052 OBEDMPKWYZGPTJ-UHFFFAOYSA-N 273.760 3.558 30 20 CHED Cc1cccc(C)c1NCc1cc(C#N)ccc1F 51753694 MIOCXJZWJCLVBT-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(C)[C@H](C#N)c1ccc(-c2ccc(O)nc2F)cc1 854189864 RCHBLCOHZFYVPW-AWEZNQCLSA-N 270.307 3.856 30 20 CHED C=CCCOC(=O)[C@@H](C)Cc1cccc(Cl)c1 756341243 MGQHWDNBFXFOMU-NSHDSACASA-N 252.741 3.638 30 20 CHED CCc1nc(C)c(CON=Cc2ccc(Cl)cc2)o1 853643227 ZJHOVXBUJSLIMF-UHFFFAOYSA-N 278.739 3.750 30 20 CHED C=CCC[C@@H](C(=O)NOCC1CCC1)c1ccccc1 856350821 RJXPHUVNXIUCLN-MRXNPFEDSA-N 273.376 3.584 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H](C)c1cccc(O)c1 934708536 JYVPVFFPAVXVMX-CHWSQXEVSA-N 261.365 3.514 30 20 CHED Clc1cccc2c1CCC2=NO[C@H]1CCCCO1 755823619 MSHWKKXHKOLRHY-AWEZNQCLSA-N 265.740 3.534 30 20 CHED Cc1oc2ccc(NC(=O)N3CCC[C@@H](C#N)C3)cc2c1C 930898177 SSBXLLFLVSDNMC-ZDUSSCGKSA-N 297.358 3.817 30 20 CHED C=CCC1(NC(=O)[C@H](CC)CCCCC)CCOCC1 855686697 RPUHJINWJSPXPV-OAHLLOKOSA-N 281.440 3.834 30 20 CHED C#CCCCCNC(=O)/C=C/c1ccccc1O[C@H](C)CC 758636657 NICBHEKJDWVVQM-FIFPYPGSSA-N 299.414 3.797 30 20 CHED C[C@H](NCc1coc(C(C)(C)C)n1)c1cccc(C#N)c1 930214726 VZADBADUFWONTN-LBPRGKRZSA-N 283.375 3.695 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC(CC#N)CC1 935318928 RUTSZXKVJMSTLV-UHFFFAOYSA-N 288.391 3.651 30 20 CHED COCc1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1OC 866500839 ZUICYHQYHCERLB-ZDUSSCGKSA-N 296.370 3.886 30 20 CHED C/C(=C\C1CCC(C)CC1)C(=O)N1CCC[C@H](CC#N)C1 869230704 JULHKRJMLYGQRE-CZYLXRQSSA-N 288.435 3.911 30 20 CHED Cn1cc(NN=C2CCC(C)(c3ccccc3)CC2)cn1 761869167 LMKQZFATRWPEED-UHFFFAOYSA-N 282.391 3.720 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 934921353 AXEWFTMMGSRTKS-LSDHHAIUSA-N 279.424 3.587 30 20 CHED CCC1(C(=O)OCc2cccc(C#N)c2)CCCCC1 764669126 VJHHDPBQZBVVII-UHFFFAOYSA-N 271.360 3.962 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N(CCC#N)Cc1ccco1 931269722 QZRCXVHNTHIPFP-HNNXBMFYSA-N 296.370 3.634 30 20 CHED CCC(=NOCc1cccnc1)c1ccc2c(c1)CCCO2 765583543 HJIKPKHIGVIKKE-UHFFFAOYSA-N 296.370 3.738 30 20 CHED N#CCc1ccccc1Cc1nc(-c2ccccc2F)no1 761435935 IJPBKGZFBRFRON-UHFFFAOYSA-N 293.301 3.533 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(O)c(Cl)c1 768773756 PWXGBHGMEGHCHT-UHFFFAOYSA-N 285.734 3.753 30 20 CHED COc1cc(C#N)ccc1COC(=O)/C=C(\C)C(C)(C)C 766901129 SUAAZWZTYAVRGT-XYOKQWHBSA-N 287.359 3.602 30 20 CHED CC#CCCOC(=O)c1csc(-c2ccccc2F)n1 760290147 OXJLHVOTPOWZLK-UHFFFAOYSA-N 289.331 3.519 30 20 CHED C=C1CCN(C(=O)Nc2ccc(Cl)cc2C)CC1 864253597 ZHQGCFHXQVVEGO-UHFFFAOYSA-N 264.756 3.832 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(NC(=O)C2CC2)cc1 764547046 KNJWHFLUNFUYRS-GFCCVEGCSA-N 288.391 3.822 30 20 CHED C#CCCc1noc(-c2cc(Cl)ccc2Cl)n1 762000971 JJVNBLYRUOAQFA-UHFFFAOYSA-N 267.115 3.609 30 20 CHED CCN(CCCOc1ccc(C)c(C)c1)C[C@H](C)C#N 60569255 BBIQCPHFUQVTRY-CQSZACIVSA-N 274.408 3.554 30 20 CHED C=CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC 872084836 LAGPZPPYUWCEIT-JTQLQIEISA-N 266.366 3.543 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cscc2Cl)cc1 771871775 HOBKGDHAICXKQR-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C=CCN(C(=O)C(F)(F)c1ccc(C)cc1)C(C)C 779831940 IPEJDCWSNZFYMD-UHFFFAOYSA-N 267.319 3.510 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1nc(-c2ccncc2)cs1 872123719 ZKXQOSBLRQYQCH-CHWSQXEVSA-N 287.432 3.895 30 20 CHED CCCOc1cccc(C(=O)Nc2sccc2C#N)c1 59272567 JMXQYCCSNMMEHQ-UHFFFAOYSA-N 286.356 3.661 30 20 CHED COC[C@@H](C)C(C)=NNc1ccc(C#N)c(C(F)(F)F)c1 777885833 CSXQFDPVJYUCHA-SECBINFHSA-N 299.296 3.647 30 20 CHED Cc1cccc2c1CCC2=NNc1nccnc1C(C)C 773094252 QDNKBYHCQJGWQZ-UHFFFAOYSA-N 280.375 3.671 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc(C(C)(C)C)nn2)o1 1116090149 IQFFGYLOBKSIED-AAEUAGOBSA-N 298.390 3.937 30 20 CHED COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1F 1116375535 HZMGGJXUKAHTMX-LBPRGKRZSA-N 284.334 3.557 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@@]3(C)C(C)C)[nH]c12 774105086 SRFZICLSBSDMJX-VBHSOAQHSA-N 295.386 3.730 30 20 CHED C[C@@H]1CCC[C@H](C(=O)O[C@@H](C#N)C2CCCCC2)C1 776390809 ZFEIUGUEKXPZOX-SNPRPXQTSA-N 263.381 3.828 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1F 872065798 BWHNNTWYZQFRJD-ZBEGNZNMSA-N 296.345 3.741 30 20 CHED CCc1ccc(CC(=O)OCc2cccc(C#N)c2F)cc1 774964041 YSEYIOFJBIILMX-UHFFFAOYSA-N 297.329 3.546 30 20 CHED C#CCCCCCCNc1ccc(N2CCOC2=O)cc1 876825486 WHQLAJZLFLJEKB-UHFFFAOYSA-N 286.375 3.639 30 20 CHED Cc1ccc(C(=O)/C=C\c2nc3c(s2)CCCC3)o1 776266956 VHJBYXPRWTYUMH-CLFYSBASSA-N 273.357 3.819 30 20 CHED C[C@H](C=NOC1CCOCC1)CC1CCCCC1 774444858 QHCGZNGVZOCLSI-ZDUSSCGKSA-N 253.386 3.774 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cccc(F)c1F 777906462 XGMXKMYDXVPDAL-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=CCC[C@H](C)Nc1cccc(COCCOC)c1 130609530 YWOOSBYLQKQPPZ-AWEZNQCLSA-N 263.381 3.616 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](Nc2cc(C#N)ncn2)CC1 1458323584 SFBGYCOHVGUSKF-OLZOCXBDSA-N 272.396 3.755 30 20 CHED C=CCN(C(=O)Nc1ccc(CC)c(C)c1)C(C)C 770107997 WEJSDNNRCTXQJN-UHFFFAOYSA-N 260.381 3.986 30 20 CHED CCc1cccnc1C(C)=NNc1c(F)cccc1F 779772398 QCJMUDXWOKFLMM-UHFFFAOYSA-N 275.302 3.758 30 20 CHED C=CCN(C(=O)Nc1nn(C(C)C)cc1Cl)C(C)C 889537614 HRGSWOCYWNQLQG-UHFFFAOYSA-N 284.791 3.546 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1ccccc1C 782535718 UQXQRSKWMYXRHY-RHSMWYFYSA-N 276.376 3.828 30 20 CHED O=C(O)c1csc(/C=C/C(=O)C2CCCCC2)c1 782201280 SEOKKGJWZIXCMF-VOTSOKGWSA-N 264.346 3.609 30 20 CHED Cc1cc(NN=C(CC(C)(C)C)C2CC2)nc(C)n1 787152780 BBDGHQSGWBQVCV-UHFFFAOYSA-N 260.385 3.708 30 20 CHED Cc1cccc(CN(CCC#N)Cc2ccco2)c1 78666924 GXCWWRUZJDXYPN-UHFFFAOYSA-N 254.333 3.504 30 20 CHED C=CCCC[C@@H](C)OC(=O)[C@H]1CCOC2(CCC2)C1 885668043 QTZIHNHXFJSEHA-KGLIPLIRSA-N 266.381 3.624 30 20 CHED Fc1cc(NN=Cc2cc(Cl)ccc2Cl)ccn1 781133900 WSMSTXPPWFYWGD-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C#Cc1cccc(N(C)C(=O)c2csc(C(C)C)n2)c1 171194874 DCPFMWNTGGSBKM-UHFFFAOYSA-N 284.384 3.524 30 20 CHED CCNc1ccc(C#N)cc1NCc1cccc(C#N)c1F 783883844 NHQZGGFZRQALMN-UHFFFAOYSA-N 294.333 3.613 30 20 CHED C#C[C@H](N[C@H](C)c1cc2ccccc2s1)[C@@H]1CCCO1 783294237 IMXYESFKLVKWGR-SNPRPXQTSA-N 285.412 3.733 30 20 CHED CC1(C)CCC1=NNc1ccc([N+](=O)[O-])cc1Cl 789003581 BKMYGJJZODDXIS-UHFFFAOYSA-N 267.716 3.836 30 20 CHED CC1(C)C[C@]1(C(=O)Nc1ccc(C#N)cc1)c1ccccc1 1124340838 OOZARFGVFZHYJY-LJQANCHMSA-N 290.366 3.865 30 20 CHED CC(=NN[C@H]1CCCOC1)c1ccc(SC(C)C)cc1 780252960 ZPNIVYDPEAQOAC-HNNXBMFYSA-N 292.448 3.680 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCc2ccc(Cl)cc21 1126879840 IQPHLXMYROFAAF-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=C(Cl)CN(CCC)[C@@H](C)C(=O)Nc1ccccc1C 786130732 HHLPBQWQYJYWLK-AWEZNQCLSA-N 294.826 3.787 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccccc1C(=O)O 783817360 SEIWQYPPGRDFND-RYUDHWBXSA-N 260.337 3.609 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cnn(CC2CCC2)c1 899367301 ZGXWZKLZHAOUGD-VOTSOKGWSA-N 295.386 3.537 30 20 CHED CCC(=NN[C@H]1CCOC(C)(C)C1)C1CCCCC1 780250403 MPGCMROVUQJHPY-AWEZNQCLSA-N 266.429 3.880 30 20 CHED CC(C)[C@H](F)C(=O)Nc1ccccc1SC[C@@H](C)C#N 784096973 COXBNTWURVHJCB-FZMZJTMJSA-N 294.395 3.871 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1CO[C@H](C)C1 784070654 KOHJSUOZDHTAGF-ZNMIVQPWSA-N 269.429 3.524 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C(C)(C)C 702238994 HBQMREHBBQNKJB-QWHCGFSZSA-N 251.414 3.613 30 20 CHED CCc1cccc(C)c1NN=Cc1cnc([C@H](C)O)s1 799496031 ZGEWQMHCNCTZKA-NSHDSACASA-N 289.404 3.513 30 20 CHED CCc1cc(C#N)ccc1OC/C(Cl)=C/Cl 799588573 UGZQBTBKNUNZEF-WDZFZDKYSA-N 256.132 3.818 30 20 CHED C#C[C@H](NC1CC(c2ccccc2C)C1)C(C)(C)C 705287480 ZXGNALYTEYYXMJ-DQPZFDDXSA-N 255.405 3.879 30 20 CHED C=CC1(OC(=O)c2csc(Cc3ccccc3)n2)CC1 893364810 BCPYAMXJVWAYRL-UHFFFAOYSA-N 285.368 3.609 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1COC2(CCCC2)O1 793548734 UVOGVAKAYQFBGW-JKSUJKDBSA-N 281.440 3.787 30 20 CHED C=CCCSCCNCc1ccsc1Cl 594960544 SFMDMEAHBXUJRY-UHFFFAOYSA-N 261.843 3.800 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3sccc32)c(F)c1 61362563 NPOSFUHQDPNUMO-HNNXBMFYSA-N 286.375 3.926 30 20 CHED O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccnc(O)c1 791432594 NETJSBJJCQEIJV-DUXPYHPUSA-N 294.137 3.990 30 20 CHED COc1cccc([C@H](C)N[C@@H](C)CC(C)(C)C#N)c1 710019133 SDUMCCXIKQXSAO-STQMWFEESA-N 260.381 3.674 30 20 CHED CC(=NNc1cccc(F)n1)c1csc(C(C)C)n1 795006791 KZXVOBINUWOFMH-UHFFFAOYSA-N 278.356 3.637 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccsc1 793174983 PQDIZPGDLWYVMK-UHFFFAOYSA-N 251.742 3.633 30 20 CHED C#Cc1cccc(N(C)C(=O)Cc2coc3ccccc23)c1 796126149 KKXRWTAQGLVBPR-UHFFFAOYSA-N 289.334 3.620 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1C#N 1201432237 FXGGCMWTQYNSPG-SMDDNHRTSA-N 289.354 3.788 30 20 CHED CCOCCON=C(C)Cc1cccc(C(F)(F)F)c1 799113839 WILNMQVMRCDMSD-UHFFFAOYSA-N 289.297 3.677 30 20 CHED C=CCC(C)(C)C(=O)OCc1cccc(OC(C)(C)C)n1 796463338 ULCPLZRSUADLGP-UHFFFAOYSA-N 291.391 3.904 30 20 CHED CC(C)CON=Cc1c(Cl)nc2cc(Cl)ccn12 794923643 QRKLKAQMCLCEJS-UHFFFAOYSA-N 286.162 3.648 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H](CC(C)C)C2)cc1C#N 799350424 SYBDRFZCGDBYNX-HNNXBMFYSA-N 284.403 3.765 30 20 CHED C=CCCCCCN(C)C(=O)C1=C(CC)OCCC1 790664293 ZEYIFBCEXHDPKH-UHFFFAOYSA-N 265.397 3.666 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCCCCC 797998222 CKTLRQBZALPJGH-XHSDSOJGSA-N 253.430 3.916 30 20 CHED C=CCCCOC(=O)c1cc(C)nc2ccccc12 735524187 IXRUAGKYGPZOPQ-UHFFFAOYSA-N 255.317 3.666 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2cc(C#N)ccc2C)CC1 592587379 IRZKQFCLWLXXLY-OAHLLOKOSA-N 268.360 3.942 30 20 CHED COc1cccc(OCCCCC(C)(C)C#N)c1C=O 767056665 UHLPTNMNRKCBBG-UHFFFAOYSA-N 275.348 3.607 30 20 CHED C[C@H]1CCC[C@H](N(C)c2nc(C#N)c(Cl)s2)C1 1162298059 XMSCWNGYVSBHKK-IUCAKERBSA-N 269.801 3.683 30 20 CHED C=CCOC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12 1317777551 NECZPMSGMJENTC-UHFFFAOYSA-N 285.343 3.636 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc2ccccc2n1 1319640788 QOVDILCTJMNTFJ-UHFFFAOYSA-N 286.334 3.615 30 20 CHED CCC1(CC)CCCN(Cc2ccc(C#N)cc2OC)C1 1171949492 TVMAFPNHZNWWSG-UHFFFAOYSA-N 286.419 3.969 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C=C\c1cc(Cl)cc(Cl)c1 1329033439 AIYSEVKJUHIIJN-ZFDPJTLLSA-N 297.185 3.767 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NCc1cc(C#N)cs1 1178931060 KFPPJPSWAMDVCV-ZIAGYGMSSA-N 262.422 3.924 30 20 CHED Cc1ccc(-c2nnc(CC3(C#N)CCCCC3)o2)o1 1327052191 AJJVLXSPNQZMDH-UHFFFAOYSA-N 271.320 3.655 30 20 CHED N#CC1(CCCCN2CCC[C@@H]2C2CCOCC2)CCC1 1334658235 BYVXONFKOJPKAF-QGZVFWFLSA-N 290.451 3.742 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ncccc1C)C(C)C 1338402656 DERHSYVXDVYCKC-OAHLLOKOSA-N 260.381 3.560 30 20 CHED COc1ccc(C[C@H](C)N(C)Cc2ccc(C#N)cc2)cc1 1337025812 LEEKZDCZWXVJCU-HNNXBMFYSA-N 294.398 3.630 30 20 CHED CC(C)c1cnc(S[C@@H](C#N)C2CC2)n1C1CC1 1188814233 JNICYMZQJLUIOJ-ZDUSSCGKSA-N 261.394 3.736 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1ccc(C#N)s1 1346540305 LPSJVXIOXLIRIT-JTQLQIEISA-N 283.418 3.585 30 20 CHED C#CCSCCNCc1ccc(-c2ccc(F)cc2)o1 219224524 GXNXSLRUADJTRE-UHFFFAOYSA-N 289.375 3.542 30 20 CHED N#CC1(CCCCN2CCC[C@@H](OCC3CC3)C2)CCC1 1341155423 PHBZWXBFNLQKHL-QGZVFWFLSA-N 290.451 3.742 30 20 CHED C=CCCCCCCCNC1CCN(C(C)C)CC1 810242881 IMNCLXUMONRHQE-UHFFFAOYSA-N 266.473 3.975 30 20 CHED CS[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)C1 224694702 CSQQGZWCXKECSX-JGGQBBKZSA-N 290.432 3.524 30 20 CHED C=CCC[C@H](NC(=O)NCCC(F)F)c1ccccc1 1521413677 AIYQLGUHFTZFIR-ZDUSSCGKSA-N 282.334 3.648 30 20 CHED C[C@@H](C(=O)O[C@H](CC#N)c1ccco1)c1cccs1 1526994102 ZPSJPCBYCWWQIT-ZYHUDNBSSA-N 275.329 3.643 30 20 CHED COc1ccc(C#N)cc1N[C@H]1C[C@H](OC(C)C)C1(C)C 1462071405 PEUZCKKKQQIZNX-HOTGVXAUSA-N 288.391 3.571 30 20 CHED C=Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)cc1 1544828593 IEHYFNAHTLJXOZ-UHFFFAOYSA-N 284.265 3.732 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(C)c(NC(C)=O)c(C)c1 1548665167 JKWFMKDQLLWKRD-UHFFFAOYSA-N 288.391 3.803 30 20 CHED Cc1ccc([C@@H]2C[C@H]2Nc2cc(C)c(C#N)cn2)cc1 1559220363 YSTUOVXEQOQFSA-JKSUJKDBSA-N 263.344 3.538 30 20 CHED CO[C@@H](COc1cc(Cl)ccc1C#N)CC(C)C 1641003337 NHFLTKSZNWVZCE-CYBMUJFWSA-N 267.756 3.652 30 20 CHED COc1cc(CNCC(C)(C)C2CCCC2)ccc1C#N 1657580426 WWESTUJMTIMEKY-UHFFFAOYSA-N 286.419 3.873 30 20 CHED C=C[C@H](Sc1nc(C2CCCCC2)cs1)C(=O)O 1588714191 BEVYFLZGXFVVQG-NSHDSACASA-N 283.418 3.922 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCCC2(C)C)c1C#N 1651588045 SKCVOBRVGPSPQF-GFCCVEGCSA-N 263.772 3.906 30 20 CHED N#Cc1c(F)cccc1CNC[C@H](c1ccccc1)C1CC1 1659882282 OLWOORLWOROWCX-GOSISDBHSA-N 294.373 3.981 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](CC(C)(C)C)C(=O)O 1588798381 CSSWCGVFZNQMCR-KBPBESRZSA-N 269.429 3.990 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccsc1C#N 1583877352 NAFUPTFYBHIVRE-QWHCGFSZSA-N 290.432 3.956 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 1672410364 MZFYTBVHFSHTOX-MRXNPFEDSA-N 289.354 3.741 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(C(=O)O)c(F)c1 1777465251 BUVORKSOTRZDLS-CLFYSBASSA-N 284.286 3.728 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](C)Cc1cccs1 150878567 AIJAEDVTJUNHJN-CYBMUJFWSA-N 277.433 3.811 30 20 CHED C=CCN(C)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 161866238 JZZKYUPHLDREHQ-LLVKDONJSA-N 285.309 3.843 30 20 CHED CC(C)CC[C@H]1CCCCN1CCCSCC#N 158115222 WMISGNALYYOIFF-OAHLLOKOSA-N 268.470 3.924 30 20 CHED CC[C@@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 151389235 NRGRSIOPLGUACQ-NVXWUHKLSA-N 299.418 3.863 30 20 CHED CCN(C(=O)[C@H](C)c1ccsc1)c1ccc(C#N)cc1 152180833 PMQIFGUGNBHJAF-GFCCVEGCSA-N 284.384 3.776 30 20 CHED CCCCCCCC(=O)N1Cc2ccc(C(=O)O)cc2C1 156588675 NCECZVSBIIQLHQ-UHFFFAOYSA-N 289.375 3.588 30 20 CHED C[C@@H]1CCC[C@H](NCc2cc(C#N)ccc2F)[C@@H]1C 20055238 ZCSBKBGRLGZMHW-HSMVNMDESA-N 260.356 3.612 30 20 CHED N#Cc1ccc(COc2ccc3[nH]ccc3c2)c(F)c1 159157344 DJBQPUNFWNORJM-UHFFFAOYSA-N 266.275 3.758 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1C 40360150 FTFZTJBFTMAHKA-MRXNPFEDSA-N 270.376 3.506 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1-c1ccccc1 44809158 GNYCXHVWUOSUEE-CYBMUJFWSA-N 264.328 3.842 30 20 CHED C[C@@H](SCC(C)(C)C)C(=O)Nc1ccccc1C#N 281508942 SIHVNSDEVDBYSE-LLVKDONJSA-N 276.405 3.665 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(OCC#N)cc1 281660649 QETAOWCGVWFPHN-UKRRQHHQSA-N 258.365 3.594 30 20 CHED CCC[C@@H]1CCC[C@@H]1NCCc1cccc(C#N)c1 467445925 MQJPCRQRUPIZQS-SJORKVTESA-N 256.393 3.659 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(C2CCC2)c1 291314845 SBGNSALZEIGIMN-MRXNPFEDSA-N 256.349 3.832 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)C1CCCCC1 462857115 RNDBJWLAWUAMKH-SNVBAGLBSA-N 263.772 3.987 30 20 CHED COc1ccc(CNc2cc(C)cc(C#N)c2)cc1F 308121032 IVHNDVHZZYQUIB-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1csc(C(=O)Nc2ccc(C#N)c(F)c2)c1Cl 308132327 YFHWIKHVIRDYQB-UHFFFAOYSA-N 294.738 3.973 30 20 CHED C[C@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 78835881 NKJXPJWDIRDSNZ-WPRPVWTQSA-N 269.270 3.573 30 20 CHED N#Cc1cnc(N[C@@H]2CC23CCCCC3)c(Cl)c1 356769686 BCPUXJRCCAENBM-GFCCVEGCSA-N 261.756 3.741 30 20 CHED C#C[C@@H](N[C@H](C)CCc1ccc(OC)cc1)C(C)(C)C 702250880 NWNHGSJZDGZJNV-RHSMWYFYSA-N 273.420 3.654 30 20 CHED Cc1nc(Oc2ccc(C#N)cc2)c(Cl)cc1C#N 334455793 WTFQXASAJQWDAE-UHFFFAOYSA-N 269.691 3.579 30 20 CHED N#CCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 334814633 QFDRXGILOAVAED-UHFFFAOYSA-N 297.185 3.759 30 20 CHED C=C(CNCc1sc(C)nc1C)c1ccccc1 336794519 COCNQYOBCFSRJV-UHFFFAOYSA-N 258.390 3.563 30 20 CHED C[C@H]1CCCCN(c2nc3ccccc3cc2C#N)C1 703187759 NIOFIPAGLGZMNH-ZDUSSCGKSA-N 265.360 3.733 30 20 CHED N#Cc1ccc2nc(-c3cc(F)cc(Cl)c3)[nH]c2c1 486711630 PJJOAXMGVIALAB-UHFFFAOYSA-N 271.682 3.894 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CC(C1CC1)C1CC1 695639886 GHRLYIKPSURESN-UHFFFAOYSA-N 288.778 3.976 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CCO[C@H](C(C)(C)C)C1 721827842 PKTPBZLDJQSMOW-ZBFHGGJFSA-N 272.392 3.872 30 20 CHED C[C@@H](OC(=O)c1ccc(Cl)o1)c1ccc(C#N)cc1 175761947 NYILUQSHQZHYBJ-SECBINFHSA-N 275.691 3.723 30 20 CHED N#Cc1c[nH]c(C(=O)N2CCC[C@H]2CCC2CCCCC2)c1 178402969 ZCGKCNWEHLFMIT-INIZCTEOSA-N 299.418 3.851 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)o1 136160515 OQUKOMLSGYPHQC-SJKOYZFVSA-N 266.344 3.564 30 20 CHED CCCOc1ccc(OCCOc2cccc(C#N)c2)cc1 58832089 CSDRDJWQRYVAER-UHFFFAOYSA-N 297.354 3.805 30 20 CHED C[C@H](NC1CCN(C2CCCC2)CC1)c1cccc(C#N)c1 178179297 FLAJDIBYLWIVOA-HNNXBMFYSA-N 297.446 3.616 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 109557702 DBDAWHNIBHAPOQ-NSHDSACASA-N 276.311 3.838 30 20 CHED CCCc1ccccc1NC(=O)c1sccc1C#N 52030477 YVPPQDCMWHYCMQ-UHFFFAOYSA-N 270.357 3.825 30 20 CHED CCN(C(=O)c1cc(C#N)c[nH]1)c1ccc2ccccc2c1 177784687 POKPBXBXXSBTNA-UHFFFAOYSA-N 289.338 3.706 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)cn1 66319527 ACLDLKHTPSLSAJ-AWEZNQCLSA-N 296.370 3.668 30 20 CHED N#CCCCOC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 171770632 NFPPDHAAUQFFIP-SJORKVTESA-N 279.339 3.790 30 20 CHED Cc1cccc(CNc2ccc(Cl)c(C#N)n2)c1 67349296 BPVLDXLRIUNKDM-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CCOC1CC(CCNc2cc(Cl)ccc2C#N)C1 302655790 HJPBVIKTBPESBN-UHFFFAOYSA-N 278.783 3.829 30 20 CHED CCc1ccc(C(=O)N(CC)c2ccc(C#N)cc2)cc1 174074521 INXUQQQZTWMFJX-UHFFFAOYSA-N 278.355 3.787 30 20 CHED CCCCCCCCCNC(=O)c1ccccc1N 118191299 NJKINVFAZLOICA-UHFFFAOYSA-N 262.397 3.749 30 20 CHED C=CCOc1cccc(CNCCCc2ccccc2)c1 409638553 NRGKMHUAEITKBH-UHFFFAOYSA-N 281.399 3.974 30 20 CHED CCCCCCCC(=O)N[C@@H](C)CCc1cccn1C 174601121 KJMVLLJJLBGZDJ-HNNXBMFYSA-N 278.440 3.823 30 20 CHED Cc1c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)oc2c(C)cccc12 179898169 NWWKMRYBGIWCFJ-CHWSQXEVSA-N 283.327 3.899 30 20 CHED N#Cc1cccc(C#N)c1NCc1cc2ccccc2o1 302636629 CZDCQUFEAGXEEV-UHFFFAOYSA-N 273.295 3.788 30 20 CHED N#Cc1ccc(Cl)cc1NCC1(c2ccccn2)CC1 302846438 GQTGQAUXPTYVMC-UHFFFAOYSA-N 283.762 3.750 30 20 CHED C=CCCSc1cc(C(=O)NC2CC2)c2ccccc2n1 303853254 VIXMGMIDCBEREU-UHFFFAOYSA-N 298.411 3.795 30 20 CHED N#CCOc1ccc(NC(=O)C2(C3CCCCC3)CC2)cc1 1356022056 FHMMNNPDMHBTGQ-UHFFFAOYSA-N 298.386 3.888 30 20 CHED C=CCCCC(=O)NCC1(c2ccc(F)cc2)CCC1 175496710 WRNHXGVSUSEKKE-UHFFFAOYSA-N 275.367 3.720 30 20 CHED C=CCCCC(=O)Nc1ccnn1Cc1cccc(C)c1 175531166 HICHQEFYPDMSGS-UHFFFAOYSA-N 283.375 3.535 30 20 CHED Cc1ccc(N/C(N)=N/CCc2ccc(Cl)s2)cc1 303872295 GESPBDPQGJHHOS-UHFFFAOYSA-N 293.823 3.679 30 20 CHED COc1cccc(CSCCOc2ccccc2C#N)c1 60521891 NBSUZATUXKMOIM-UHFFFAOYSA-N 299.395 3.879 30 20 CHED C=C(C)COCCNC(=O)c1cc(CC)c(CCC)s1 125935573 YGBQKURZPQVYBN-UHFFFAOYSA-N 295.448 3.586 30 20 CHED C=CCCC[C@H](C)NC(=O)Cn1ccc2ccccc21 182595217 MSCBVPSGBLAGEP-AWEZNQCLSA-N 270.376 3.502 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 122378847 ROEHABBANFBWKJ-UHFFFAOYSA-N 259.136 3.643 30 20 CHED CCC1(C(=O)Nc2ccccc2O[C@H](C)C#N)CCCC1 182146350 SEYZXPNBXFVSOY-CYBMUJFWSA-N 286.375 3.886 30 20 CHED C=CCC1(C(=O)Oc2ccc(NC(=O)OC)cc2)CCC1 188882469 RZUVLWWGUGGPMX-UHFFFAOYSA-N 289.331 3.517 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1SCCc2ccccc21 182641165 YOEXSYFYVAITOM-CJNGLKHVSA-N 289.444 3.878 30 20 CHED N#CC1(COc2ccc(Br)c(Cl)c2)CC1 413023777 SYZMIALHBIQSEY-UHFFFAOYSA-N 286.556 3.785 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccn(CCC(C)C)n1 122787650 OJXJQKTZKIYBKW-UHFFFAOYSA-N 275.396 3.636 30 20 CHED C=CCN[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 185814706 BKYSBLJYRNLOEJ-QWRGUYRKSA-N 257.299 3.973 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc(F)cc(Cl)c1 189439328 KLUXLIHRESDQTH-AWEZNQCLSA-N 285.746 3.646 30 20 CHED CC[C@@]1(C)CCCN(Cc2cc(C#N)ccc2OC)C1 437574883 DMTWKAIYNPFARD-KRWDZBQOSA-N 272.392 3.579 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC1(C)C 128383148 GJWCVSNKGTVUHA-RYUDHWBXSA-N 288.416 3.923 30 20 CHED C=C[C@H](C)N[C@H]1CCc2c(F)cc(Br)cc21 122955385 CHENXHSVVXKTCP-SDBXPKJASA-N 284.172 3.740 30 20 CHED C=C(C)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 122791121 KCZYALOPVOUCQX-UHFFFAOYSA-N 260.215 3.602 30 20 CHED N#Cc1ccc(NC(=O)CCCC2CCCC2)cc1C#N 74955311 YNZZNFAWMWYSMD-UHFFFAOYSA-N 281.359 3.729 30 20 CHED Cc1csc([C@H](C)CN[C@@H](C)c2ccc(C#N)cc2)n1 186567092 ZQRGYMUHKFOYNU-YPMHNXCESA-N 285.416 3.778 30 20 CHED CCCCCCCC(=O)Oc1ccc(OC)cc1 79917931 ZYRMFAWNABLGKS-UHFFFAOYSA-N 250.338 3.961 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCCCSCC#N 181447772 LGJFLJIZJFKRTR-QLFBSQMISA-N 268.470 3.684 30 20 CHED C=C(C)[C@@H](CC(=O)NCC[C@@H](C)c1ccccc1)OCC 410219301 WKBXSPHDERKFAN-NVXWUHKLSA-N 289.419 3.668 30 20 CHED C=C(C)[C@@H](NC(=O)c1ccco1)c1ccc(F)c(F)c1 186031234 RQZDLHSUYATAKZ-CQSZACIVSA-N 277.270 3.605 30 20 CHED CC(C)(C#N)CCCCN1CC[C@H](c2ccncc2)C1 520424629 AEYSBDTZBHRNNU-INIZCTEOSA-N 271.408 3.591 30 20 CHED CC(C)Oc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1C#N 185894026 DFVHHIJPHANVIB-ZFWWWQNUSA-N 283.375 3.840 30 20 CHED C=CCOc1ccc(-c2nc(CCC(=C)C)no2)cc1 508616676 DWBDDYZSSDNOIF-UHFFFAOYSA-N 270.332 3.810 30 20 CHED CC(C)(C#N)CNC(=O)NC1CCC2(CCCCC2)CC1 502566156 ALVPVDXNFCGWSH-UHFFFAOYSA-N 291.439 3.728 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CS[C@H](C)c1cccs1 77961100 STHBKOJSAQQCHQ-NWDGAFQWSA-N 296.461 3.550 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)C1=C(c2ccccc2)CCC1 410873034 BLEMYFLLBLDLSG-INIZCTEOSA-N 282.387 3.679 30 20 CHED CO[C@@H](CSCc1cccc(C#N)c1)CC(C)C 419645248 YQTZVBWNINKTRW-OAHLLOKOSA-N 263.406 3.853 30 20 CHED C=CC[C@H](CC)NC(=O)NC1(c2ccccc2)CCC1 507463796 VFENFFFKMZOOCH-HNNXBMFYSA-N 272.392 3.720 30 20 CHED CCN(CCC#N)C(=O)c1[nH]c2c(Cl)cccc2c1C 412178245 MQSUKXSMEHMZAJ-UHFFFAOYSA-N 289.766 3.506 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 185899695 VAALWFGNXYBLLP-RYRKJORJSA-N 283.415 3.973 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 504573169 RNTOQOSFJANPCB-ARFHVFGLSA-N 261.409 3.794 30 20 CHED COc1ccccc1SCc1cc(F)ccc1C#N 130640805 WTEAAJJJNQWNHM-UHFFFAOYSA-N 273.332 3.998 30 20 CHED Cc1cc(NC(=O)[C@H]2CCC[C@@H](C)C2)c(C#N)cc1N(C)C 415692822 MRMLLAGFEXMSKL-OCCSQVGLSA-N 299.418 3.698 30 20 CHED CC(C)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)Nc1ccccc1 185769019 OFHNEPMTRROUOA-JQHSSLGASA-N 285.435 3.795 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc(O)c(OC)c2)c1 44025278 FCKRFYUOBMBGRN-VQHVLOKHSA-N 298.338 3.696 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1Br)C1CC1 180970443 OOONHGKHTFJAIR-UHFFFAOYSA-N 293.208 3.694 30 20 CHED N#Cc1ccccc1CSCCOCC1CCC1 419392461 LBIABTHRJCMOJN-UHFFFAOYSA-N 261.390 3.608 30 20 CHED CC#CCCCC(=O)N(C)[C@H](C)c1ccc(F)cc1 184967411 DLKYDLNXFYKVIM-CYBMUJFWSA-N 261.340 3.539 30 20 CHED CC#CCCCC(=O)Nc1cc(F)ccc1OC(F)F 185851038 UQVFLNRXJRHDGI-UHFFFAOYSA-N 285.265 3.559 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1nc(C)cs1 88587056 PAKZWUCWNJRVOL-UHFFFAOYSA-N 283.400 3.511 30 20 CHED COc1ccc(CN(C)[C@H]2CCC[C@H](C)C2)cc1C#N 87833248 WBRWNNYCWZRSNH-BBRMVZONSA-N 272.392 3.577 30 20 CHED C=C(C)CCc1noc([C@H]2C[C@@]23CCc2ccccc23)n1 508688774 XWQKQLPFGQHXLN-CRAIPNDOSA-N 280.371 3.950 30 20 CHED Cc1nc(CC/N=C(/O)[C@@H]2CCc3ccccc32)c(C)o1 329015197 JTNWSIZEQFLOID-OAHLLOKOSA-N 284.359 3.520 30 20 CHED COc1ccccc1C1(CN[C@@H]2CCC[C@H](C#N)C2)CCC1 193287673 AAGJFVYTUFKERA-JKSUJKDBSA-N 298.430 3.789 30 20 CHED N#CCCC[S@@](=O)C(c1ccccc1)c1ccccc1 190726777 OJWKAIWVDDXEMP-HXUWFJFHSA-N 283.396 3.828 30 20 CHED Cc1ocnc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 328711486 RKEWLXUMMKJITR-YNEHKIRRSA-N 262.353 3.647 30 20 CHED CC1(C)CC[C@@H](/C(O)=N/[C@H]2CCO[C@@H]2c2cccnc2)C1 328967796 NOZXMRZDCRYPAT-VHDGCEQUSA-N 288.391 3.694 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)C1CCC1 425117705 WZUCHVRPXNEJKL-OLZOCXBDSA-N 270.376 3.514 30 20 CHED CCCc1cc(=O)[nH]c(/C(=C/c2cccc(C#N)c2)CC)n1 193617742 RMEPRPURFQCTCB-XNTDXEJSSA-N 293.370 3.545 30 20 CHED Cc1nc([C@H](C)/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1 329187529 GWHKTPGASYZDQN-DOERSZECSA-N 290.411 3.737 30 20 CHED CC#CCCCC(=O)N[C@H](CC(F)F)c1ccccc1 421698619 KPKNNKXAOKEHQE-CQSZACIVSA-N 279.330 3.693 30 20 CHED CCCOc1ccc(CN(CCC)CCC#N)cc1OC 46437921 ZFWLITXZPOPUNN-UHFFFAOYSA-N 290.407 3.610 30 20 CHED N#Cc1ccc2[nH]c(-c3cc(Cl)cs3)nc2c1 195218521 XRCXDXATEWEENJ-UHFFFAOYSA-N 259.721 3.816 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@@H]1c1ccccc1 81573193 ATTZRAPHAGZPSE-ACJLOTCBSA-N 280.346 3.890 30 20 CHED C=CCC[C@H](CC)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 429416562 IMZVALPYADAPLK-RCCFBDPRSA-N 291.410 3.626 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@H](C)CC 421596180 OYNKQUROSBQBLZ-GFCCVEGCSA-N 263.406 3.741 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)CC(C)(C)C#N 336388957 ITYPARIVRONVJJ-ZBFHGGJFSA-N 284.403 3.721 30 20 CHED Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C)c(C#N)cc1N(C)C 425610724 MQWOKIFFWFEHOY-SWLSCSKDSA-N 299.418 3.698 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 512294921 YQQHGXIWBWOFEK-ZETOZRRWSA-N 290.794 3.766 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 513288215 ZZQOXDHMMSYVHP-YPMHNXCESA-N 290.794 3.910 30 20 CHED CC[C@H](C)[C@H](C)N(Cc1cccc(C#N)c1)C1CC1 513450329 JISBQWQVTDEPGG-KBPBESRZSA-N 256.393 3.957 30 20 CHED Cc1cc(CN2CCC(CC#N)CC2)c2ccccc2n1 335860663 XPGPTIQMGZXGRO-UHFFFAOYSA-N 279.387 3.669 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(-c2cnn(C)c2)s1 338953613 SNJUKVQIZGLWIU-CQSZACIVSA-N 287.432 3.689 30 20 CHED C=CCCCc1nc(-c2ccc(OC(C)(C)C)cn2)no1 426592226 XMCVDHBPEIMEBF-UHFFFAOYSA-N 287.363 3.818 30 20 CHED C=CCC[C@@H](C(=O)NCC=C(C)C)c1ccccc1 191792957 XNUHNYODAPSZLI-MRXNPFEDSA-N 257.377 3.819 30 20 CHED Cc1csc(NC(=O)c2cc(F)c(F)cc2F)c1C#N 335657501 SPMPQKHWEATDLZ-UHFFFAOYSA-N 296.273 3.598 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2cc(F)ccc2o1 517753926 DUZPZXBQFMNURL-GFCCVEGCSA-N 261.296 3.656 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCC(C)(C)C1 432043289 RNINYPORJXWEAQ-AWEZNQCLSA-N 285.391 3.909 30 20 CHED Cc1cc(N2CCCC2)ccc1N[C@H]1CC[C@@H](C#N)C1 334770012 BBKOCXFUSWPKQU-CABCVRRESA-N 269.392 3.699 30 20 CHED Cc1ccc([C@]2(C)CCN(Cc3ccc(C#N)o3)C2)cc1 435032633 FXXOWDRWKGXLKA-GOSISDBHSA-N 280.371 3.623 30 20 CHED C[C@H](CC1CCOCC1)N[C@@H](CCC#N)c1ccccc1 90665102 NULWLJLMBJIYQG-QAPCUYQASA-N 286.419 3.826 30 20 CHED CSCCC/N=C(/O)Nc1ncc(C(C)(C)C)s1 331243358 KUPWTPQGZFVQDH-UHFFFAOYSA-N 287.454 3.520 30 20 CHED N#CCC(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 335843556 USCNPBMDROVBPS-CYBMUJFWSA-N 296.292 3.673 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccc(C)cc2)o1 92399097 FWVJSGXGXLPGSV-UHFFFAOYSA-N 254.333 3.601 30 20 CHED CCSc1cccc(NC(=O)N(C)CC(C)(C)C#N)c1 433172443 HNJDOBNWGPQBIS-UHFFFAOYSA-N 291.420 3.812 30 20 CHED C=CCCCCCCNC(=O)c1ccnc(Cl)c1 385200895 ZEJAKSQFFSGJSW-UHFFFAOYSA-N 266.772 3.601 30 20 CHED C=C[C@@H](C)NCc1ccc(N(C)c2ccccc2)nc1 435780937 YPDCTJUWQSJZOE-CQSZACIVSA-N 267.376 3.514 30 20 CHED Cc1ccc2oc(N(CCC#N)CCC(C)C)nc2c1 434943066 NGXJTEPKJSBLGB-UHFFFAOYSA-N 271.364 3.902 30 20 CHED C[C@H](N[C@H](C)c1nc2c(s1)CCC2)c1cccc(C#N)c1 345306985 RKDHAGUMEGOZHE-NWDGAFQWSA-N 297.427 3.915 30 20 CHED C=CCC[C@H](C)NC[C@@](C)(Cc1ccccc1)[C@H](C)O 249475051 JIDBOIZWDNVXQD-XYJFISCASA-N 275.436 3.561 30 20 CHED CC1(C)C[C@H]1CNCc1cccc(OCCCC#N)c1 344412433 SKJLHZRQBUYHBS-HNNXBMFYSA-N 272.392 3.505 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(C)(c2ccccc2)CC1 528889958 IXWOXKRDZZGCSJ-UHFFFAOYSA-N 298.430 3.897 30 20 CHED C=CC[C@@H]1N(C(=O)CCc2ccoc2)CCCC1(C)C 347436152 TUBQAGYRIFSCJE-HNNXBMFYSA-N 275.392 3.806 30 20 CHED N#C[C@H](S[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 601083889 QHWHTUSUPBWZOH-IRXDYDNUSA-N 286.444 3.686 30 20 CHED C=CCn1cccc1-c1nc(C2CCCCC2)no1 345802252 ZYRXBVNAHKEPCR-UHFFFAOYSA-N 257.337 3.772 30 20 CHED COCCOc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1 255896571 SZQKJQOOXZHIKF-FLIBITNWSA-N 296.366 3.916 30 20 CHED CC[C@@H](NCCc1cccc(C#N)c1)c1ccc(C#N)cc1 343595378 JVNYYGSUUHCXRD-LJQANCHMSA-N 289.382 3.713 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cnn(CC)c2)cc1 255305620 ACQMHJHJSIASPU-FLIBITNWSA-N 268.360 3.752 30 20 CHED CCOC(=O)CCSCc1ccccc1C(C)(C)C#N 601096053 OBJOIUSMTHMELO-UHFFFAOYSA-N 291.416 3.674 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H]1C(C)=CCC[C@H]1C 435733159 UAEUFSMKANGDFW-NCOADZHNSA-N 263.425 3.550 30 20 CHED C=CCn1cccc1C(=O)N(C)Cc1cc(C)ccc1C 346642455 LMNBYHPYQGZBQF-UHFFFAOYSA-N 282.387 3.563 30 20 CHED CO[C@H](CSCC1(CC#N)CC1)c1ccc(F)cc1 600634880 IXOGKMJSKAYTJW-CQSZACIVSA-N 279.380 3.940 30 20 CHED COc1cc2c(cc1Cl)CN(C[C@H](C)CCC#N)CC2 602674045 CCHAEDAMIOBDCV-GFCCVEGCSA-N 292.810 3.647 30 20 CHED C=CCN(C(=O)CCOc1ccccc1)c1ccccc1 342774836 GOBJHIZVZDEMOZ-UHFFFAOYSA-N 281.355 3.675 30 20 CHED N#C[C@H](C(=O)/C=C\C1CCCCC1)c1nc2ccccc2[nH]1 255447441 LKQSMIIWKWPOLI-IWMPZKFUSA-N 293.370 3.876 30 20 CHED C=C(C)CCN[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl 449470081 ACDKRSXVFBDDMC-ZDUSSCGKSA-N 294.826 3.921 30 20 CHED COCCC[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1 442865957 JUGRHGXVBNSMFC-MRXNPFEDSA-N 290.382 3.577 30 20 CHED Oc1ccc2ccccc2c1/C=N\Cc1ccncc1 255769240 FCAGMFAUUJRCBQ-UNOMPAQXSA-N 262.312 3.560 30 20 CHED Cc1cccc(OC[C@@H](C)NCc2ccc(C#N)c(C)c2)c1 443987308 XITSWGXOHBUERI-MRXNPFEDSA-N 294.398 3.732 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@H](c3ccccc3F)C2)C1 442876311 VCSIRIMDQWIOME-CBBWQLFWSA-N 272.367 3.744 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1 255154525 KGYGRASLTLIISZ-VURMDHGXSA-N 294.350 3.664 30 20 CHED C=CCCC(=O)CSc1ncnc2sc(C)cc12 447324732 LBVYSFJPFLIPNP-UHFFFAOYSA-N 278.402 3.627 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)C(=O)CC(C)(C)C#N 359897999 AKILHACIEDRAGT-AWEZNQCLSA-N 288.391 3.545 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1cccc(OC)c1OC 601280597 GKTVDZHTMUHBDJ-CQSZACIVSA-N 290.407 3.684 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)C#N)c1cccc(Cl)c1 350398776 HRKSPYQJSQYFFV-CYBMUJFWSA-N 293.798 3.640 30 20 CHED CC(C)(C#N)CC(=O)Nc1nc2ccc(Cl)cc2s1 447180741 KMDHBEGJBPZDHY-UHFFFAOYSA-N 293.779 3.828 30 20 CHED CCC[C@H](C)N(C)c1ccc2cc(C#N)ccc2n1 537877876 ZLPMOUJDDLJXHE-LBPRGKRZSA-N 253.349 3.731 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)Oc1ccccc1 449154686 IZHCTXDKNXAPRD-UQPPLGOBSA-N 272.392 3.516 30 20 CHED N#CCOc1ccc(CN2CCC[C@@H]2c2ccccc2)cc1 264163360 TUAARYJAGKBIRL-LJQANCHMSA-N 292.382 3.926 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc(C#N)cn2)C1 266237791 KTQWVLSORYHIAQ-WBMJQRKESA-N 281.334 3.680 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1nc(C3CC3)cs1)CC2 353256256 OSTJPKLCZUORBY-OAHLLOKOSA-N 295.411 3.669 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@H](C)c1ccc(C)cc1)OCC 533721824 KIOSKNZKIPRHDL-WBVHZDCISA-N 289.419 3.886 30 20 CHED C=CCN(CCC#N)C(=O)c1sccc1-c1ccccc1 359444365 HKLAHPVEEOGHGX-UHFFFAOYSA-N 296.395 3.957 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc2cc(OC)ccc2c1 538197906 MKSVWYNAVUDVNE-HUUCEWRRSA-N 299.414 3.684 30 20 CHED Cc1c(C#N)cccc1NC[C@H]1CCOc2ccccc21 611530536 OMJUDSRUOPLUDH-OAHLLOKOSA-N 278.355 3.845 30 20 CHED C=CCCCC(=O)N1CC(c2nc3ccccc3s2)C1 357702286 ZSNQEEJPUHTKDW-UHFFFAOYSA-N 286.400 3.578 30 20 CHED CC1(C)CCc2cc(CN(CCC#N)CC3CC3)ccc2O1 353416596 OOAFWVOJAPGGOL-UHFFFAOYSA-N 298.430 3.916 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(F)cc3cccnc23)C1 617781313 JXFMOMQKZBCBBA-CYBMUJFWSA-N 298.361 3.802 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1OC 448831196 OZPHAIPFEXSGCC-ZIAGYGMSSA-N 286.375 3.722 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H]1CCCCC1(C)C 359435742 LSCKRWKLVKCNJB-CQSZACIVSA-N 262.397 3.521 30 20 CHED C=CCC[C@H](NCc1ccc(NC(N)=O)cc1)c1ccco1 353444448 USDCZHLVIKQMLG-HNNXBMFYSA-N 299.374 3.567 30 20 CHED CCN(Cc1cccc(C#N)c1)c1cccc(OC)c1 533492598 QJKNNGWLZAFVFW-UHFFFAOYSA-N 266.344 3.593 30 20 CHED CCOC(=O)C[C@@H](C)SCC#Cc1ccc(Cl)cc1 443418061 RLNGLGSZBRZRQP-GFCCVEGCSA-N 296.819 3.766 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)NCC(C)(C)C#N 611689822 RBRCFPTXZRCYQN-HNNXBMFYSA-N 278.440 3.895 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2ccoc2c1 443353271 FTQNPUIGAOHIAI-UHFFFAOYSA-N 258.321 3.863 30 20 CHED CCCCN(CCCC)C(=O)NCC#Cc1ccccc1 612309934 LKMWTKNKSNQZKE-UHFFFAOYSA-N 286.419 3.650 30 20 CHED C=CCC1(NC(=O)c2ccc3ccccc3c2)CCOCC1 618244625 IRITXPQXZYZTSU-UHFFFAOYSA-N 295.382 3.695 30 20 CHED C[C@H](C(=O)N(Cc1ccco1)c1ccccc1C#N)C1CC1 267080642 PTRSFMKSZRDQEC-ZDUSSCGKSA-N 294.354 3.731 30 20 CHED C=CCCCCCN(C)c1ccsc1[N+](=O)[O-] 610076889 AFYDSRCSDUPEPR-UHFFFAOYSA-N 254.355 3.839 30 20 CHED C[C@H](NC(=O)C1(C)CCCCC1)c1cccc(C#N)c1 614844048 VWLHBUIIEUXNAZ-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED C=CCCc1noc(CCCOc2cccc(C)c2)n1 453249610 VIIKAJGKMMLIMY-UHFFFAOYSA-N 272.348 3.508 30 20 CHED C=CCC(C)(C)c1noc([C@H]2Cc3cccc(C)c3O2)n1 453190106 SGVLOEYLKWKDGS-CYBMUJFWSA-N 284.359 3.908 30 20 CHED C[C@H](C(=O)N[C@]1(C)CCCC[C@@H]1C)c1cccc(C#N)c1 457309818 XWVUXDGDIUYXIJ-SUNYJGFJSA-N 284.403 3.747 30 20 CHED CCC1(CC)[C@H](N[C@H]2CCc3cc(C#N)ccc32)C[C@H]1OC 618802376 DMRHIBLAEBUIHC-RCCFBDPRSA-N 298.430 3.729 30 20 CHED C=CCOCCCC(=O)N(Cc1ccccc1)[C@H](C)CC 361759183 HJORSROIZGGLLZ-MRXNPFEDSA-N 289.419 3.797 30 20 CHED C[C@]1(NCc2cccc(OCCCC#N)c2)CC=CCC1 459752622 LDBMPSVXDBALAX-SFHVURJKSA-N 284.403 3.958 30 20 CHED N#CCCCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 451876325 FHNUTKOFRBTQRS-MRXNPFEDSA-N 282.391 3.784 30 20 CHED CC1(C)CC=C(C(=O)NC2(c3cccc(C#N)c3)CC2)CC1 456001699 SAUMSTFFQMUKPB-UHFFFAOYSA-N 294.398 3.800 30 20 CHED C=CCCC1(C(=O)Nc2cccc(C)c2C(C)=O)CC1 361899537 CAIOKICRLJLHDK-UHFFFAOYSA-N 271.360 3.883 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC[C@](F)(c2ccccc2F)C1 367224708 OFWJZEXXEMBURJ-SUMWQHHRSA-N 293.357 3.825 30 20 CHED CCC1(c2noc(C3(C#N)CCCC3)n2)CCCC1 618436789 DSDYCPZOMPDQDA-UHFFFAOYSA-N 259.353 3.627 30 20 CHED C=CCCc1noc(Cc2cn(CC)c3ccccc23)n1 453246503 KOPFMJQKSLPACH-UHFFFAOYSA-N 281.359 3.754 30 20 CHED Cc1ccc(CCCNCc2ccc(C#N)cc2)c(C)c1 610175884 VCCNBFMAXOKHCL-UHFFFAOYSA-N 278.399 3.898 30 20 CHED CC(C)(C)CN(CCC#N)Cc1nccc2ccccc12 611268840 AOTMARXYUFFYJL-UHFFFAOYSA-N 281.403 3.997 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H](C)[C@H]2C)c1C#N 544066736 GMKDRWAHZLFQSY-MWLCHTKSSA-N 263.772 3.540 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 276380785 LONKWALSXGGBEW-GHMZBOCLSA-N 281.758 3.617 30 20 CHED CC(C)(C#N)CCCS(=O)(=O)CC1(C)CCCCC1 453042019 PRXPQMVILPJFIN-UHFFFAOYSA-N 285.453 3.702 30 20 CHED CCN(Cc1ccncc1)Cc1ccccc1C(C)(C)C#N 270984535 GXHCHLZYMFMHMN-UHFFFAOYSA-N 293.414 3.905 30 20 CHED C=CCOc1c(Cl)cc(CNC[C@H]2C[C@H]2C)cc1OC 623357309 ILOLXBFHHJJPPP-DGCLKSJQSA-N 295.810 3.659 30 20 CHED CN(CCC#N)Cc1nc(C2CCCCC2)cs1 277701381 LYPJJDCBCFEWLH-UHFFFAOYSA-N 263.410 3.536 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cncc(F)c2)CCCC1 450442557 SSBQBZNSUJFGDG-GFCCVEGCSA-N 276.355 3.534 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)c2ncc(C)s2)CCCC1 450586228 GWJUZCQAZAFZSC-GFCCVEGCSA-N 292.448 3.808 30 20 CHED Cc1cccc([C@H](c2noc([C@@]3(C#N)C[C@H]3C)n2)C(C)C)c1 453177718 GOIYYTBASFZGBX-DDUZABMNSA-N 295.386 3.967 30 20 CHED CC[C@@H](Nc1ccc(CCO)cc1)c1ccc(C#N)cc1 278358914 BHMUWWJXWFZJOB-GOSISDBHSA-N 280.371 3.656 30 20 CHED CN(C)c1ccccc1NC(=O)c1ccc(Cl)c(C#N)c1 543475477 WZSBUVKYUBTJOO-UHFFFAOYSA-N 299.761 3.530 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2Cl)CC(C)(C)C1 466475071 QWQPECSDQBEIQN-UHFFFAOYSA-N 277.799 3.869 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cc(-c2nc(C)no2)ccc1C 545924675 ZFQSDERDVWZUHF-LBPRGKRZSA-N 299.374 3.894 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cccc2c1CCN2C(C)=O 546691722 HMKDUHSHVZHTAF-CHWSQXEVSA-N 272.392 3.608 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCC[C@@H]1c1ccccc1Cl 544603751 QNSAQVALNIURLL-YSVLISHTSA-N 293.838 3.750 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 465104852 VARLKZIISCITPH-LSJOCFKGSA-N 284.186 3.788 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(C)(C)C#N)cc1 281056089 KUZMUSBDFKDYBZ-OAHLLOKOSA-N 270.376 3.572 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-c2csc(C)n2)cc1 282559355 ZZZAVXWGYSZOAH-NSHDSACASA-N 286.400 3.813 30 20 CHED CC1(C)CCN(C(=O)c2cc(C#N)cs2)c2ccccc21 288899959 JJWVVMWIOMUJJV-UHFFFAOYSA-N 296.395 3.948 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 282185532 GAGDCAISCFQXEY-LOWVWBTDSA-N 298.308 3.928 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 374238301 HFNSVJBXQKUKIK-ABAIWWIYSA-N 294.345 3.776 30 20 CHED C=CCOc1ccccc1CNCc1cn(C(C)C)nc1C 281344294 MEMWVTNRWWFOGT-UHFFFAOYSA-N 299.418 3.627 30 20 CHED N#CCCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 378642577 GOVYZUSRGBJGDT-ZDUSSCGKSA-N 282.309 3.798 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cccc(NC(=O)OC)c1 287315695 FFNPCHZDJXLSNU-CHWSQXEVSA-N 276.380 3.555 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(C#N)c(F)c1 464642648 LSIRBWQFPIYCPZ-UHFFFAOYSA-N 296.301 3.514 30 20 CHED CC[C@H](C)CCC(=O)N[C@H](CCC#N)c1ccccc1 285664293 DLZQMMNHINIROT-GOEBONIOSA-N 272.392 3.974 30 20 CHED Cc1cc(Cl)cc(CN(CCC#N)C(C)C)c1 552029656 NKWVYDHGXRPDOG-UHFFFAOYSA-N 250.773 3.773 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccccc1Cl 467733173 ULWRSYIVGBSIIC-UHFFFAOYSA-N 263.768 3.725 30 20 CHED CN(CCC(C)(C)C#N)[C@]1(c2ccccc2)CCCCC1=O 551449325 LVEXUILTYLYTOQ-IBGZPJMESA-N 298.430 3.897 30 20 CHED CCC(CC)N(CC)Cc1nnc(-c2ccc(C#N)cc2)o1 289485515 SDXGLTYVOQHYLW-UHFFFAOYSA-N 298.390 3.619 30 20 CHED COc1cc(C#N)cc(OC/C=C\c2ccccc2)c1 383393220 RJPQVDXNASHNMT-YVMONPNESA-N 265.312 3.659 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H](C)c2ccccc2)cc1 552241856 DOSMWIAJNYBYMR-HNNXBMFYSA-N 295.382 3.671 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CC1CCC(C(C)(C)C)CC1 470152537 NLMKQSXBSGRFLU-YMAMQOFZSA-N 278.440 3.893 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 553920889 HLSYWYRRWUBODB-DZKIICNBSA-N 272.392 3.744 30 20 CHED CCOc1ccc(/C=N\[C@@H](C2CC2)C(F)(F)F)c(O)c1 806552358 RTBZGAUMBNVWQE-WUQDTEKSSA-N 287.281 3.551 30 20 CHED C=CCOCCCOc1cccc(Cl)c1Cl 475957388 LVYBKDFZSWWUHI-UHFFFAOYSA-N 261.148 3.965 30 20 CHED C=CCC1(C(=O)OCc2csc(C)c2)CCC1 806023643 NHTQJGGJTDIGHO-UHFFFAOYSA-N 250.363 3.846 30 20 CHED CC(C)=CCON=C(C)c1ccc(NC(=O)C2CC2)cc1 808248637 PKWHELBCWVWBKM-UHFFFAOYSA-N 286.375 3.742 30 20 CHED C=C(C)COc1c(Br)ccc(C)c1F 478816040 WRKJHVOIPFCBRV-UHFFFAOYSA-N 259.118 3.852 30 20 CHED c1ccc2c(c1)C[C@@H]1CCC[C@H](C2)C1=NOC[C@H]1CCOC1 807984867 WQVKPZBCZWVQGQ-JCGIZDLHSA-N 299.414 3.611 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC[C@H]1CF)c1ccccc1 296633036 ZAUCBIMHWRHKJV-JKSUJKDBSA-N 290.382 3.837 30 20 CHED FC(F)(F)c1ccc(C=NNCCCc2ccccc2)[nH]1 807970232 DCZQTZCGHFWCGL-UHFFFAOYSA-N 295.308 3.590 30 20 CHED C=CCN(C(=O)NCc1ccc(CSC)cc1)C(C)C 807538838 OSORGZBPHNIJPL-UHFFFAOYSA-N 292.448 3.656 30 20 CHED Cc1cc(COc2ccc(F)nc2C#N)c2ccccc2n1 808049638 XVIQQHONTOFKPQ-UHFFFAOYSA-N 293.301 3.528 30 20 CHED C[C@@H](C#N)OCCSCc1cccc(F)c1Cl 802752244 ORAQGNJVGAANRB-VIFPVBQESA-N 273.760 3.641 30 20 CHED C[C@H](NC(=O)CCCC#N)c1cccc(C(F)(F)F)c1 291034084 XMBVVFITJQHQSG-JTQLQIEISA-N 284.281 3.576 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 566639440 OMYZMAKEPPOLBA-GFCCVEGCSA-N 286.350 3.867 30 20 CHED N#CCCCCCC(=O)OCc1nc(C2CC2)cs1 805698212 XDWFJCJVXDOUPB-UHFFFAOYSA-N 278.377 3.538 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C(C)C 299431815 QEWFCHDIQJTXKT-OAHLLOKOSA-N 271.364 3.519 30 20 CHED CCC[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(F)c1 569653282 MNXWALLPOHGBIC-CQSZACIVSA-N 289.354 3.884 30 20 CHED C#Cc1ccc(CNC2(c3cccc(F)c3)CC2)cc1 809621095 VAHSBLBAQOHHOK-UHFFFAOYSA-N 265.331 3.586 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccccc1CCC 806184910 GDGAZGDQPWYLII-AWEZNQCLSA-N 258.365 3.563 30 20 CHED C=CCN(CCOC)[C@@H](C)c1cccc(Cl)c1 561634086 CUDUXJKCEMPAPX-LBPRGKRZSA-N 253.773 3.535 30 20 CHED Cc1ccc(OC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 293178151 SIQFAXSEHSMNFG-CVEARBPZSA-N 284.403 3.531 30 20 CHED C=CCCCCNC(C)(C)c1nc2ccccc2n1C 568356138 GZEDLEYWCYBGCC-UHFFFAOYSA-N 271.408 3.754 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](c1ccccc1C)C1CC1 488949934 IYDJJCMTZZYCKN-GOSISDBHSA-N 294.398 3.864 30 20 CHED CCCc1[nH]ccc1C(=O)OCCCCC(C)(C)C#N 817270758 DKILZYDUQINNAH-UHFFFAOYSA-N 276.380 3.844 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1ccccc1C(=O)O 812442516 FFVXGZKSLGJYJH-UHFFFAOYSA-N 293.326 3.621 30 20 CHED CCC(=NNc1cccc(F)n1)c1ccc(F)cc1F 814930228 UEIZTTNYCDMHKE-UHFFFAOYSA-N 279.265 3.725 30 20 CHED C=CCC(C)(C)CNC(=O)/C=C/c1ccc2[nH]ccc2c1 814420148 PAOAEMDWMSCKEF-SOFGYWHQSA-N 282.387 3.900 30 20 CHED CCc1cccc(NCc2ccc(C#N)o2)c1CC 486867527 MDKZZIBXUUREAP-UHFFFAOYSA-N 254.333 3.888 30 20 CHED Clc1ccccc1NN=Cc1ccc2oncc2c1 814690997 IKXMCGZDSMPFKM-UHFFFAOYSA-N 271.707 3.927 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)C1CC1 813220195 FVZUKTZJGKBLAC-PWWFUAJNSA-N 294.276 3.633 30 20 CHED Clc1cccc(C2CC(=NNC[C@@H]3CCSC3)C2)c1 811661799 SZNWMXBODXIVFL-AMGKYWFPSA-N 294.851 3.916 30 20 CHED Cc1cc(C)cc(NN=C2CCc3c(O)cccc32)c1 812435400 IDEFJGRXDQBTST-UHFFFAOYSA-N 266.344 3.771 30 20 CHED CC(C)(C)OC(=O)N(CC=NOC1CCC1)C(C)(C)C 812237214 POAXYDGDTBPBER-UHFFFAOYSA-N 284.400 3.577 30 20 CHED CC#CCCNC(=O)N[C@@H](c1cccs1)C(CC)CC 482894986 SQIUEMNQNHWOMH-OAHLLOKOSA-N 292.448 3.938 30 20 CHED C=CCC(F)(F)C(=O)N(CC)Cc1ccccc1Cl 814941844 WOCVCJJKVHSDAO-UHFFFAOYSA-N 287.737 3.900 30 20 CHED C=CCC(F)(F)C(=O)NC(C)(C)CCc1ccccc1 815318999 MZEWUCFCRNWKMS-UHFFFAOYSA-N 281.346 3.725 30 20 CHED C=CCCCCN1CCC2(CC1)OCCc1ccccc12 576244553 AITFLJCYWDXQSZ-UHFFFAOYSA-N 285.431 3.907 30 20 CHED CC[C@H]1CC(=NNc2cc(Cl)nc(Cl)c2)CCO1 819828643 LENXARFDDWRENY-JTQLQIEISA-N 288.178 3.745 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cc2ccccc2o1 812372176 CRFZWIBWAWDVJO-UHFFFAOYSA-N 281.271 3.787 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc([C@@H](C)OC)c1 488843159 VAEXMEGTFBPWLP-CYBMUJFWSA-N 284.359 3.634 30 20 CHED C=C(C)C(C)(C)C(=O)NC1CCC(N2CCCCC2)CC1 819360964 APSWMLSEZXDMJU-UHFFFAOYSA-N 292.467 3.502 30 20 CHED COc1cc(NN=C2CC[C@H](C)C2)ccc1Cl 814919192 HUOMVUGBBIDPKY-VIFPVBQESA-N 252.745 3.937 30 20 CHED Cc1nc(N2C[C@@H](C)C[C@H]2c2cccc(F)c2)ccc1C#N 488072294 ZQFFLTRNLZMGFS-SJCJKPOMSA-N 295.361 3.988 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCN(C2CCCCC2)CC1 489103853 PLPFXEFIXLNYFP-MRXNPFEDSA-N 297.446 3.570 30 20 CHED C=CCCCCS[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O 572104450 WPUPJQCHTUVAAG-MELADBBJSA-N 267.438 3.523 30 20 CHED Cc1ccc(CCC(=O)Oc2ccc(C#N)cc2F)s1 813068674 OTRGKCLQTZFJAI-UHFFFAOYSA-N 289.331 3.606 30 20 CHED CCN(C[C@H](C)C#N)c1nc2cccc(C)c2s1 480072245 KMJIKBMDMPHNSL-SNVBAGLBSA-N 259.378 3.591 30 20 CHED Fc1c(Cl)cccc1NN=Cc1nc2c(s1)CCC2 814819060 UYODSAQBNYBLNG-UHFFFAOYSA-N 295.770 3.870 30 20 CHED C1CCCN([C@@H]2CCCCC2=NOC2CCC2)CC1 812237209 PIBJHEWNDLRUIZ-MRXNPFEDSA-N 264.413 3.730 30 20 CHED C=CCC(F)(F)C(=O)OC[C@H]1CCC2(CCCCC2)O1 815312789 JIWLPUKQGIIZRQ-GFCCVEGCSA-N 288.334 3.623 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCCC[C@@H]1CCC 815371028 FWYMQIQENJKFGX-RYUDHWBXSA-N 259.340 3.673 30 20 CHED CC(=NNCCCc1ccccc1)c1cc(C)ccc1O 729146409 VPAZZWFMFBRYGI-UHFFFAOYSA-N 282.387 3.647 30 20 CHED C=CCCCCCCCNC(=O)N1CC(C)(C)C1 812492724 LKNQWWHVLIRQIH-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CC[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ccncc1 816551592 HPCBCYFAGYBQDB-KDOFPFPSSA-N 282.387 3.625 30 20 CHED COc1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1O 729151331 RHRUPYDEPIBLFM-MDWZMJQESA-N 280.323 3.532 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2CCCCCC(=O)C2)c1 813438815 CAHYEKAHCSMQIJ-INIZCTEOSA-N 297.398 3.560 30 20 CHED O=C(C#Cc1ccccc1)NCc1ccc2sccc2c1 813256357 CTHBNQRADGNWAV-UHFFFAOYSA-N 291.375 3.569 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572701658 GOJHIJUJDNANCW-WCMCAJIFSA-N 296.414 3.747 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(F)F)cc1F 653784239 KKPUPHYQKWDHLI-JTQLQIEISA-N 271.282 3.848 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 483102678 XHFGMFNLKCAFKA-OAHLLOKOSA-N 298.336 3.826 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](CC)Cc1ccccc1 571275942 KDKMEFLPADCZJW-HNNXBMFYSA-N 259.393 3.584 30 20 CHED C[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)Cc2ccccc21 822219769 QIDGIWCAKPXFCM-AUUYWEPGSA-N 294.398 3.606 30 20 CHED CCN(C(=O)C#Cc1cccs1)[C@@H]1CCCC[C@@H]1C 825636938 LPOHVWBSKAAJPP-DZGCQCFKSA-N 275.417 3.527 30 20 CHED Cc1ccc(C=NNCCCc2ccccc2)s1 729146173 OQGDNKMIRCRQKI-UHFFFAOYSA-N 258.390 3.613 30 20 CHED C=CCC1(NC2CCC(C)(C)CC2)CCOCC1 668552672 QQHYWUNJCBDEFT-UHFFFAOYSA-N 251.414 3.670 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccccc2F)c(Cl)c1 727651669 KVKQFRVEVNYCCH-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C/C=C/C=C/C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 491543474 BPGDLKHKZDKKFH-LENVYROZSA-N 295.169 3.807 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@]23CCC[C@H]2C3)c1 665956482 RJTVBHGOFOBUMX-SUMWQHHRSA-N 286.375 3.706 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccn(C2CCCC2)n1 821448676 XYRJNNLVRHEVGK-UHFFFAOYSA-N 276.380 3.644 30 20 CHED N#CCCCC(=O)Nc1ccc2nc(Cl)sc2c1 823845261 JBANXBXGCGQGQN-UHFFFAOYSA-N 279.752 3.582 30 20 CHED C=CCC1(NC(=O)Nc2c(F)cccc2F)CCCC1 665155302 QGQNHYSYJWWGCC-UHFFFAOYSA-N 280.318 3.975 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@@H]1CCC[C@H](C)C1 581754147 CBOOAPVPEYGAHH-UONOGXRCSA-N 276.428 3.602 30 20 CHED C=CCCCCCN(C)C(=O)C1(C)CC(F)(F)C1 820188721 QLSIVFUCYLAFTI-UHFFFAOYSA-N 259.340 3.627 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C=C(\C)c1ccccc1Cl 727378813 XXLKGQNWQOOGCH-GDXASINISA-N 276.767 3.552 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H](C)C[C@H](C)CC 497519528 NMAGRRTWRRJBBU-CABCVRRESA-N 292.423 3.844 30 20 CHED O=C([C@@H](c1ccccc1)C1CC1)N(O)Cc1ccc(F)cc1 901371690 HPJJKUYVZJOANH-KRWDZBQOSA-N 299.345 3.737 30 20 CHED N#Cc1ccccc1COc1ccc(-c2nncs2)cc1 583350540 GHJPJLOMAXOPDQ-UHFFFAOYSA-N 293.351 3.656 30 20 CHED CCC(CC)NN=Cc1csc(-c2cccs2)n1 734365012 PGJIPVJXOKRFTL-UHFFFAOYSA-N 279.434 3.984 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2c(C)cccc2OC)C1 822976345 XEVRPLIWPQTDIH-AWEZNQCLSA-N 288.391 3.824 30 20 CHED CC[C@@H](NCc1nc2c(s1)CCC2)c1cccc(C#N)c1 903191443 WRTHSEQYSKYMIH-CQSZACIVSA-N 297.427 3.744 30 20 CHED Brc1ccc(NN=C[C@H]2CC=CCC2)cn1 732713623 IMHLHHDIGAEDKN-JTQLQIEISA-N 280.169 3.598 30 20 CHED Cc1ccc2sc(C(=O)N[C@@H](C#N)CC(C)C)cc2c1 589789348 PEDYJEXAHVSONP-CYBMUJFWSA-N 286.400 3.878 30 20 CHED C=CC[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccncc1 734236783 GJIRORQWQGFFBC-LLLHUVSDSA-N 284.403 3.641 30 20 CHED C=CCCCCCN(C)[C@@H](C)c1ccc(C(=O)O)o1 736097286 CZGWQLOWNHGNMA-LBPRGKRZSA-N 265.353 3.717 30 20 CHED C=C(C)CNC(=S)N(C)c1ccc(C)c(Cl)c1 733210660 YRXGVXKVPVIPDW-UHFFFAOYSA-N 268.813 3.535 30 20 CHED CO[C@@H](C/N=C\c1c(O)ccc2ccccc12)C(F)(F)F 733205349 SKXOCKQWTXCDAK-VDIXJHOCSA-N 297.276 3.542 30 20 CHED C=CCn1c(S[C@H](C)OC)nnc1-c1cccc(C)c1 901402030 OYZAQVOXXDFRKS-GFCCVEGCSA-N 289.404 3.524 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@](CC)(C(=O)O)c1ccccc1 901900737 ZHUDGBRMBWMSNL-HDMKZQKVSA-N 289.419 3.609 30 20 CHED O=C(C#CC1CC1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 837402154 MSNOGYDQANZLPN-GOSISDBHSA-N 292.382 3.635 30 20 CHED Cc1ccc(C(=O)/C=C\c2nc(C)c(C)[nH]2)c(C)c1 901430149 IIGZLFJKKAGYRF-FPLPWBNLSA-N 254.333 3.539 30 20 CHED Cc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1 734305031 GAFXVOLDBJSAFY-ZSOIEALJSA-N 252.288 3.957 30 20 CHED CC[C@H](C)[C@H](C=NNc1ccc(Cl)cc1)OC 834914217 NBVHEWLMTJQOAF-GWCFXTLKSA-N 254.761 3.799 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(F)ccc1N1CCCCC1 674983740 XQURCFAAJYAVOR-LBPRGKRZSA-N 291.370 3.512 30 20 CHED CO[C@H](C#N)c1ccc(-c2ccc(CN(C)C)s2)cc1 904864571 LBJQRXJEPYRLOT-OAHLLOKOSA-N 286.400 3.688 30 20 CHED C=CCCC(=O)Nc1ccc(SC(F)(F)F)nc1 838293486 WULZGPJNYYKDQQ-UHFFFAOYSA-N 276.283 3.598 30 20 CHED C=CCCC[C@H](NCc1cc2ccccc2s1)C(=O)O 900067886 RSEUSRHNEGNTJU-AWEZNQCLSA-N 289.400 3.800 30 20 CHED C#CCCCCCC(=O)O[C@@H](CC)c1ccncc1 839008687 KZTNHHJLVQOYMT-HNNXBMFYSA-N 259.349 3.660 30 20 CHED CC(C)(C1=CCCCC1)c1noc(-c2cccc(C#N)n2)n1 589369888 ZCXBPRDGSFKFGT-UHFFFAOYSA-N 294.358 3.781 30 20 CHED C=CCCCCCN(C)C(=O)CCc1csc(C)n1 739654345 NOVRMYKHMCMNMX-UHFFFAOYSA-N 280.437 3.589 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1 679904963 PTYKNBDYIRWKLA-BMGDILEWSA-N 299.414 3.902 30 20 CHED C#CCC[C@H](C)OC(=O)Cc1ccc(C(F)(F)F)cc1 839034540 RKUXXWMVAINUEE-NSHDSACASA-N 284.277 3.593 30 20 CHED CCCC(CCc1ccccc1)=NNc1ccncn1 835002234 NBXCXWAPEYMGKZ-UHFFFAOYSA-N 268.364 3.677 30 20 CHED CCCCCCCC(=O)OCC(=O)N(C)c1ccccc1 919222906 KFPRTLJPLFHJEN-UHFFFAOYSA-N 291.391 3.553 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 594043782 OPJHNADAZCGQPQ-KBPBESRZSA-N 286.419 3.678 30 20 CHED N#CCC1(CSc2n[nH]c(/C=C/c3ccccc3)n2)CC1 594886165 SFGYNSWSKVLKHV-VOTSOKGWSA-N 296.399 3.761 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CC(C1CCC1)C1CCC1 599244010 HDBIIAXVSZPUSC-KRWDZBQOSA-N 276.424 3.647 30 20 CHED Cc1ccc2[nH]cc(C=NNc3ccc(Cl)nc3)c2c1 743452106 RCOUFCPXOLGHCU-UHFFFAOYSA-N 284.750 3.971 30 20 CHED CS[C@@H]1CC[C@H](N=c2c(C#N)c[nH]c3c(C)cccc23)C1 742422115 WVUYAEVFCONVCP-UONOGXRCSA-N 297.427 3.533 30 20 CHED CC[C@H](C)CCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 595725699 HQOJECSBOWATBI-KBPBESRZSA-N 287.407 3.697 30 20 CHED CC[C@H](C#N)N(C)C(=O)C(CC)(CC)c1ccccc1 594098823 WRPSOVWLPGRGQP-OAHLLOKOSA-N 272.392 3.505 30 20 CHED CC(C)(CC#N)CSc1ncnc2ccccc12 849859155 LUKMDYGJXLWODL-UHFFFAOYSA-N 257.362 3.662 30 20 CHED CC(=NNc1nncc2ccccc12)c1ccccc1F 915909916 UTBLBEAZKRAPPL-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCC(=O)c1cccc(C#N)c1 748289257 RVVLGKUCGSVULR-CYBMUJFWSA-N 299.370 3.501 30 20 CHED C=CCN(C(=O)Nc1ccc(F)cc1C)C(C)C 916706866 FMZNIPKDEHZADH-UHFFFAOYSA-N 250.317 3.562 30 20 CHED COc1cc(C)ccc1CN[C@H]1CCc2cc(C#N)ccc21 590653720 DCWIJWLJWJBVPM-SFHVURJKSA-N 292.382 3.652 30 20 CHED C=CCN(C(=O)c1ccc(C(F)F)cc1F)C(C)C 846811601 OBYWLUUEAWXGEQ-UHFFFAOYSA-N 271.282 3.800 30 20 CHED Cc1cc(C)cc(CC(=O)N(CCC#N)CC(C)(C)C)c1 597161604 WYNFFMFEBQZJQK-UHFFFAOYSA-N 286.419 3.634 30 20 CHED CC[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCCC1 590982010 CUXZWSAXGZWDJW-YJBOKZPZSA-N 288.435 3.936 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 749373696 MZGSAWWBYUKUJI-DVESRUBUSA-N 284.403 3.806 30 20 CHED C=CCN(C(=O)N[C@@H](C)CCc1ccccc1)C(C)C 918055707 FCDLYMJSXIZJSL-HNNXBMFYSA-N 274.408 3.614 30 20 CHED Cc1cc(/C=C2\C(=O)c3ccccc3[C@H]2C(C)C)n(C)n1 841486196 BNSABCKFCYRNGM-LPPOOGIUSA-N 280.371 3.748 30 20 CHED COCc1cccc(CON=C2CCOc3ccccc32)c1 746557923 NUZYDFNOGIUGIP-UHFFFAOYSA-N 297.354 3.536 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)[C@H]1c1cccnc1 596595407 ZJFWOWJLBIWTJX-KRWDZBQOSA-N 295.361 3.675 30 20 CHED Cc1ccc2c(Cl)c(C(=O)N(C)[C@@H](C)C#N)sc2c1 590993887 WUKXOMYQWXSQOW-VIFPVBQESA-N 292.791 3.847 30 20 CHED C=CCCSCCNC(=O)[C@H](CC)c1ccc(F)cc1 597967029 KHVNWTJQLWBCSA-OAHLLOKOSA-N 295.423 3.745 30 20 CHED CC(C)(CC#N)COC(=O)Cc1cccc(C2CC2)c1 842335864 DDILFWKWSCBTBD-UHFFFAOYSA-N 271.360 3.590 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(CC#N)c2)c1 599992321 KSDXCTKRAYAKOO-ZWKOTPCHSA-N 290.366 3.803 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cc2ccccc2[nH]1 926567522 HTBLKAKYIGDQCI-GFCCVEGCSA-N 255.365 3.758 30 20 CHED C=CCOc1ccc(OC(=O)CCc2ccccc2)cc1 742863466 UCDITCDVHIVHII-UHFFFAOYSA-N 282.339 3.790 30 20 CHED Cc1ncsc1/C=C/C(=O)c1ccccc1OC(F)F 742429026 DFYYARBWTQKXMF-VOTSOKGWSA-N 295.310 3.949 30 20 CHED Cc1nc(-c2ccc(N[C@@H](C)CC(C)(C)C#N)cc2)n[nH]1 925940812 POWXTJBFAMOMHE-NSHDSACASA-N 283.379 3.520 30 20 CHED CCCCCCC(C)=NNc1ncc(Br)cn1 848420629 BGRWOTLMZDNSBM-UHFFFAOYSA-N 299.216 3.997 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccnc(OC(C)C)c1 681705569 SEHBNXIOXBEEDP-UHFFFAOYSA-N 274.364 3.576 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1nn(-c2ccccc2)cc1C 684928691 RWQORIQEFCTTLI-AWEZNQCLSA-N 298.390 3.657 30 20 CHED C=C[C@H](C)ON=C(CC)Cc1ccc(OC)c(OC)c1 844622015 RYZDTJVVBUSKBP-LBPRGKRZSA-N 277.364 3.603 30 20 CHED N#C[C@H]1CCCN(C(=O)CCc2cccc3ccccc23)C1 928230964 DVFXYICGGMFGQR-OAHLLOKOSA-N 292.382 3.535 30 20 CHED C#CCCCCNC(=O)Nc1cccc(O[C@@H](C)CC)c1 758585151 POLWDOLWMYRFEU-AWEZNQCLSA-N 288.391 3.789 30 20 CHED Cc1sc2ncnc(NN=C[C@@H]3C[C@H]4C=C[C@H]3C4)c2c1C 755520196 ACDXVONHRMSBFS-AVGNSLFASA-N 298.415 3.918 30 20 CHED N#CCc1ccc(NC[C@H]2CCc3ccccc32)cc1 757741816 BFUPMWFRBYRAQW-MRXNPFEDSA-N 262.356 3.895 30 20 CHED CCOc1cccc(/C=N/C[C@@H]2CC=CCC2)c1O 920990747 BCGDLWRVSHHCMI-LVLBFHFTSA-N 259.349 3.566 30 20 CHED Cl/C=C\CON=CC1CCN(Cc2ccccc2)CC1 853348112 ZYPIHEVODCKLMF-XKXLODFASA-N 292.810 3.654 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cccc(CN(C)C)c1 926426844 QRDPFIZUWNNRPX-HNNXBMFYSA-N 287.451 3.729 30 20 CHED CC(C)c1ccc(C/N=C/c2ccc(O)c(O)c2O)cc1 920177129 CTKRGZKZDNAWHG-VCHYOVAHSA-N 285.343 3.546 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)OC1(C#N)CCC1 756579727 KOEAHPVVRUWPTH-PKNBQFBNSA-N 275.735 3.733 30 20 CHED CCCCNN=Cc1ccccc1OC1CCCC1 920373454 AYJTZJGLOSHRJC-UHFFFAOYSA-N 260.381 3.732 30 20 CHED CCCCC[C@@H](C)CC(=O)N1CCC[C@@H](CC#N)C1 855254222 GQDBJTJYCFORAC-CABCVRRESA-N 264.413 3.745 30 20 CHED C[C@](O)(c1ccc(OCC2(CC#N)CC2)cc1)C(F)(F)F 853676602 GKKSIBGEMQOVFW-ZDUSSCGKSA-N 299.292 3.529 30 20 CHED CCC[C@H](NCC1(C#N)CCC1)c1ncccc1Cl 926623163 BNBQZGNFESPUJA-ZDUSSCGKSA-N 277.799 3.860 30 20 CHED CCCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1OC 858604720 NTYSHIFXCIYGPB-KBPBESRZSA-N 288.391 3.978 30 20 CHED O=C(O)c1ccccc1NN=C[C@@H]1CCCc2ccccc21 752162191 AJMUFTWTTMAMKT-AWEZNQCLSA-N 294.354 3.903 30 20 CHED C#CCOc1ccc(NC(=O)c2cc(Cl)cs2)cc1 757933600 XNUFXWOHMRDALG-UHFFFAOYSA-N 291.759 3.666 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1ccc(C)cc1C 756847469 BCSUSJNKFGOCCF-UHFFFAOYSA-N 273.767 3.610 30 20 CHED C#CC1CCC(=NNc2cc(F)c(F)c(F)c2)CC1 853314814 VBJRDQWPSHTZCD-UHFFFAOYSA-N 266.266 3.695 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)OC1(C#N)CCC1 759425248 KNWUMAAQLHYLHM-DHZHZOJOSA-N 275.735 3.733 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)Cc2c(F)ccc(F)c21 759082468 FFRYYUMPXUFILA-XQRVVYSFSA-N 297.713 3.897 30 20 CHED N#C[C@@H](C(=O)CCc1ccoc1)c1ccc2ccccc2n1 753390120 JRIOQDQWVYDZRU-OAHLLOKOSA-N 290.322 3.637 30 20 CHED C[C@@H](C#N)c1ccc(-c2cnn([C@@H]3CCCCO3)c2)cc1 854209772 KFTFKZIKMUDPQJ-GUYCJALGSA-N 281.359 3.876 30 20 CHED C#CCCOC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 859176025 PTMYPEBQDVVYMB-AWEZNQCLSA-N 295.741 3.680 30 20 CHED C=CCC(F)(F)C(=O)OC[C@@H]1C[C@H]1c1ccc(OC)cc1 851266645 PNAZRWUFXRZZAP-JSGCOSHPSA-N 296.313 3.553 30 20 CHED C/C(=C\C(=O)Nc1nc(C)cc(C)c1C#N)C(C)(C)C 857639152 JOUQISDFHHAWTA-DHZHZOJOSA-N 271.364 3.501 30 20 CHED Cc1ccc(NC(=S)NN=C[C@@H](C)CCC#N)c(C)c1 765994292 SMPIHDAUNCZQSA-LBPRGKRZSA-N 288.420 3.516 30 20 CHED CCCN(CCc1cccs1)C(=O)C#Cc1ccccc1 766653471 IEWNEWBBIVKSOJ-UHFFFAOYSA-N 297.423 3.581 30 20 CHED CC(C)O[C@H]1CC(=NNc2nncc3ccccc23)C1(C)C 764884243 DORIZDMHNLGBFT-HNNXBMFYSA-N 298.390 3.621 30 20 CHED CCC/C(C)=C/C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767970934 LYHHJYFQXWFLTJ-FYWRMAATSA-N 294.398 3.920 30 20 CHED C[C@@H](CC#N)OC(=O)c1cc(C(F)(F)F)ccc1Cl 860546055 XHXITIOKWUIVTO-ZETCQYMHSA-N 291.656 3.818 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2c[nH]c3cccc(F)c23)cc1 763336985 BAZOAQZEZCWTMA-UHFFFAOYSA-N 298.277 3.661 30 20 CHED N#Cc1ccc(F)c(CNC[C@@H]2C[C@@H]2c2ccccc2)c1 767374623 VTBRETFUAJBOTG-DOTOQJQBSA-N 280.346 3.591 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1scnc1C1CC1 762696718 BWOPXSZISITTLA-BQYQJAHWSA-N 295.367 3.544 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(F)=C1CCCC1 763029291 IRUYVJDPGBFRFZ-UHFFFAOYSA-N 298.361 3.870 30 20 CHED N#Cc1ccccc1OCc1nnc(CC2=CCCCC2)o1 1117203315 URGYWLIALNJFDY-UHFFFAOYSA-N 295.342 3.563 30 20 CHED C#CCC[C@@H](C)OC(=O)/C=C/c1ccc(SC)s1 860826111 TYVBFQSPJITKKT-MXMFLMJRSA-N 280.414 3.828 30 20 CHED CSc1ccc(C)c(C(=O)OCc2ccc(C#N)cc2)c1 1115828309 NTJOJYISCWTPFT-UHFFFAOYSA-N 297.379 3.946 30 20 CHED N#CCC[C@H](NC(=O)[C@@H](F)c1ccccc1)c1ccccc1 769453301 NDNTUVYTORPBPS-IRXDYDNUSA-N 296.345 3.858 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)[C@@H](C#N)c1ccncn1 760333767 MHKAHAGPDDCTLS-GJZGRUSLSA-N 285.391 3.649 30 20 CHED Clc1cccc(Oc2ccccc2)c1C=Nn1cnnc1 769566000 BLZKWFFMUFGTAI-UHFFFAOYSA-N 298.733 3.606 30 20 CHED C[C@@H](CCc1ccc(F)cc1)C(=O)[C@@H](C#N)c1ccccn1 870136147 IJJUUVBCRRENQS-BBRMVZONSA-N 296.345 3.666 30 20 CHED Fc1ccc(/C=C/C=NOCCC(F)(F)F)cc1 777461216 WMTWARMPZQDRGK-YBWUAALTSA-N 261.218 3.794 30 20 CHED C=CCN(C(=S)Nc1ccccc1Cl)C1CC1 771545484 UYTHPUAJJJLLNK-UHFFFAOYSA-N 266.797 3.687 30 20 CHED CC#CCCOC(=O)C(C)(C)c1cccc(Cl)c1F 772478303 JUFGSNZDEBFMDL-UHFFFAOYSA-N 282.742 3.713 30 20 CHED C=CC[C@@H](N[C@H](C)c1nccs1)c1ccncc1 772457606 XZPJOUNWJGEYSF-DGCLKSJQSA-N 259.378 3.506 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1OCCF 1117777167 XHUVQGFZXOODPT-UHFFFAOYSA-N 277.339 3.557 30 20 CHED C[C@@H]1CC(C)(C)CN1c1ccc(C#N)c(Br)c1 1458430270 FRVCQOIJRMZBTC-SNVBAGLBSA-N 293.208 3.946 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC(F)CC1 881611727 TZZAGXVRSZOBDB-UHFFFAOYSA-N 279.380 3.539 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H]1COC2(CCCCCC2)O1 777313564 IHQOPDIDHUIVEQ-XHSDSOJGSA-N 281.440 3.643 30 20 CHED C=C(CC)COC(=O)c1csc(-c2ccccc2)n1 773477578 ZTKUWDDSCLDVGI-UHFFFAOYSA-N 273.357 3.933 30 20 CHED Cc1ccc(CCCC=NNc2ncccn2)cc1C 783825252 XYPQZYJXWGCQJV-UHFFFAOYSA-N 268.364 3.514 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NNc1cc(C)ccn1 788718418 RIBDOXDJDUGGEE-UHFFFAOYSA-N 295.386 3.896 30 20 CHED c1ccc(C[C@@H]2CCCC2=NNCCc2ccncc2)cc1 789097284 GVHIEFZUDUZZMK-SFHVURJKSA-N 293.414 3.613 30 20 CHED CC(CCCC(C)C)=NN[C@H]1CCOC(C)(C)C1 780249619 JAPQZKPSLOFESR-AWEZNQCLSA-N 254.418 3.736 30 20 CHED COc1cccc(NN=C2CCC[C@H](C(F)(F)F)C2)n1 783525364 XVCNXSNCNRKPBN-VIFPVBQESA-N 287.285 3.611 30 20 CHED C[C@H](C=NN=c1cc[nH]cc1)c1ccc(C(F)(F)F)cc1 789038473 XLFDAFMZFMJAAS-LLVKDONJSA-N 293.292 3.724 30 20 CHED CCCCCCCC(=O)N=c1cc[nH]c(C)c1Cl 780818828 WSQVQOKCRUHVCN-UHFFFAOYSA-N 268.788 3.764 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@@H](C(C)C)C1)c1ccccc1 780571521 ZZAPCAFMRSMWCO-QZTJIDSGSA-N 298.430 3.829 30 20 CHED CC(=O)c1ccccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 784103260 VECWVSDDVIPJJZ-ZDUSSCGKSA-N 293.322 3.679 30 20 CHED CC(C)(C)SCCSCCCSCC#N 783550293 BFAYSDATGDYGCA-UHFFFAOYSA-N 263.497 3.898 30 20 CHED N#CCCN(Cc1ccco1)Cc1ccccc1Cl 78665856 HFWRJMJJCGXVIF-UHFFFAOYSA-N 274.751 3.849 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2scnc2C2CC2)s1 782351571 LMZNXKGFCFFCTA-XQRVVYSFSA-N 286.381 3.850 30 20 CHED CCC[C@@H](NC(=O)c1cc(C#N)ccc1F)C1CCCC1 1129637296 AOYZCZUHRCWENZ-MRXNPFEDSA-N 288.366 3.786 30 20 CHED CCS[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2CO)C1 892813011 PMYKTPIUSXBBBE-HUUCEWRRSA-N 290.432 3.527 30 20 CHED C=CCCN(OCc1ccccc1)c1nc(C)cc(CC)n1 782442423 LLLXIQJPEAPPFK-UHFFFAOYSA-N 297.402 3.862 30 20 CHED Cc1cc(C)c([C@H](C)NCc2ccc(C#N)cn2)cc1C 783300106 IEGTYOORFLJZER-HNNXBMFYSA-N 279.387 3.729 30 20 CHED CC(C)(C#N)CC(=O)Oc1cccc(Oc2cccnc2)c1 786480317 VIQLMEIZOBEJGJ-UHFFFAOYSA-N 296.326 3.719 30 20 CHED CC[C@H](CC(F)(F)F)Nc1cc(C#N)sc1[N+](=O)[O-] 893182301 ONQQRDNAYQKMNG-ZCFIWIBFSA-N 293.270 3.671 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@@H]1c1cccc(F)c1 1137018529 VVPSNRMZYAYVPD-QGZVFWFLSA-N 294.329 3.593 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1c(F)cccc1F 785760862 ZOAFWBXIQQUHGC-CQSZACIVSA-N 254.276 3.610 30 20 CHED CCCC(=NO[C@H]1CCCCO1)c1ccsc1 785457839 SPYCOHDZQKNXGZ-ZDUSSCGKSA-N 253.367 3.796 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 390780512 RREHZBZALPEEPD-JENIJYKNSA-N 286.463 3.841 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(F)cc1F 782450128 TWPCGVGPQUDYMX-MEDUHNTESA-N 298.329 3.798 30 20 CHED COc1cc(NN=Cc2ccc(C#N)c(C)c2)ccc1Cl 788468951 ZQIAFHXQWYMINJ-UHFFFAOYSA-N 299.761 3.975 30 20 CHED Cc1cc(COC(=O)c2csc(Cl)c2)ccc1C#N 784879107 ICNLMAVFBJGBRE-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C=C1CCC(C(=O)NCCC2CC(OC(C)(C)C)C2)CC1 890225100 DGEACNTXPNQSNB-UHFFFAOYSA-N 293.451 3.833 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)cc1)CC(F)(F)F 396932438 VFGGVYRRRHEWFB-GHMZBOCLSA-N 270.298 3.797 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc([C@H]2CCOC2)cc1 890197676 OEMRHPOKYFMBNK-AWEZNQCLSA-N 274.360 3.698 30 20 CHED N#Cc1cc(C(=O)OC/C=C\c2ccccc2)ccc1F 792323625 JPVBWFPSXQLKSL-DAXSKMNVSA-N 281.286 3.568 30 20 CHED C#C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(C)(C)C 705303707 CDZZPTQHOLGJKI-CYBMUJFWSA-N 298.213 3.700 30 20 CHED C#Cc1cccc(N(C(=O)C(CC)CC)C(C)C)c1 791128139 BCCLIYIBDDCGLQ-UHFFFAOYSA-N 257.377 3.846 30 20 CHED C[C@H]1CCCC(=NNc2cccc(Cl)n2)[C@@H]1C 793174966 OWWFAYYPGBWHMJ-VHSXEESVSA-N 251.761 3.959 30 20 CHED CC(=NNCc1ccc(Cl)cc1Cl)c1cc(C)on1 790289233 AXTIRRXOMCARRY-UHFFFAOYSA-N 298.173 3.804 30 20 CHED C[C@@H]1CC(=NNCc2cccc(Cl)c2Cl)CCO1 790184719 ZWTYSGJYUYQGFO-SECBINFHSA-N 287.190 3.638 30 20 CHED Fc1ccc(C(C[C@H]2CCOC2)=NOC/C=C/Cl)cc1 793054953 IMWMIYHJQXKEQM-XAENLXJOSA-N 297.757 3.726 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccoc1Br 193830930 LQYALZONSNYWQK-VIFPVBQESA-N 286.169 3.517 30 20 CHED C[C@H]1COCCC1=NNc1c(Cl)cc(F)cc1Cl 794525835 HZMYKVZERIVFHD-ZETCQYMHSA-N 291.153 3.957 30 20 CHED C[C@H](Oc1ccc2ccccc2c1)C(=O)OCCCCC#N 795726501 YHEVDBZEFDGFES-AWEZNQCLSA-N 297.354 3.844 30 20 CHED Cc1ncc(C=NN2CCC(C(C)(C)C)CC2)s1 790178844 MFUJRXXAHHQIJA-UHFFFAOYSA-N 265.426 3.544 30 20 CHED C=C(Cl)CN[C@@H](C)CCc1ccc(F)cc1F 796818477 OEUVXVMXNQWSCJ-JTQLQIEISA-N 259.727 3.628 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccccc1OC(F)F 796462876 OJXQSLFSRVXHDQ-UHFFFAOYSA-N 284.302 3.934 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 792952789 TTZLWPGHZFKLPT-GXTWGEPZSA-N 296.773 3.514 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCc2cccs2)cc1 796036157 MHAMCXSVISBEEY-UHFFFAOYSA-N 285.368 3.906 30 20 CHED CCN(C)c1ccc(C(C)=NNc2ncccc2F)cc1 794989789 CZNRRZDSOUHIQU-UHFFFAOYSA-N 286.354 3.513 30 20 CHED N#C[C@@H]1CCCN(c2ccnc3cc(Cl)ccc23)C1 693974121 NEQGANWNMYWGPX-NSHDSACASA-N 271.751 3.628 30 20 CHED CC(C)(C)C1CCC(CN=c2cc[nH]cc2C#N)CC1 1306994450 CESXGAXWYRFDJR-UHFFFAOYSA-N 271.408 3.640 30 20 CHED N#Cc1nc(N2CC[C@H]2c2ccc(F)cc2)sc1Cl 1163691024 SGYRUUWFVNBDLF-NSHDSACASA-N 293.754 3.759 30 20 CHED N#CC1(CC(=O)OC/C(Cl)=C\Cl)CCCCC1 1327232768 AYIMOSCRQFLVNY-JXMROGBWSA-N 276.163 3.713 30 20 CHED CC(C)(C)ON=Cc1cccn1Cc1ccccc1C#N 1255345278 UMTSVDCSNFSUSZ-UHFFFAOYSA-N 281.359 3.557 30 20 CHED C[C@H](CC#N)N(C)C(=O)C1(c2ccccc2Cl)CCC1 1338414393 HGUFURDLDYOWLH-GFCCVEGCSA-N 290.794 3.522 30 20 CHED C[C@H](CC1CCCCC1)C(=O)OCCCCC#N 1251865782 AIOCCQGXGZIULZ-CYBMUJFWSA-N 251.370 3.830 30 20 CHED CS[C@H]1CC[C@H](N(C)c2ncc(Cl)c(C)c2C#N)C1 1337635554 FOYIPNAABZTCOA-QWRGUYRKSA-N 295.839 3.635 30 20 CHED C[C@H]1CN(c2cccc(CC#N)n2)CC[C@H]1c1ccccc1 1255096315 SPHCTAGZSHMMIY-MAUKXSAKSA-N 291.398 3.778 30 20 CHED CC(C)n1cc([C@H](C)Nc2cc(C#N)cc(Cl)n2)cn1 1336515946 GYFCIPFXAKUYBC-JTQLQIEISA-N 289.770 3.557 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2ccc(OC)cc2[nH]1 1262654403 GIKCOHWVYYUTAB-CQSZACIVSA-N 298.386 3.747 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]1C(C)(C)C 1263640438 KHLGRUOSEGNEGI-CQSZACIVSA-N 271.364 3.519 30 20 CHED C=CCCCC(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1263620377 SLTVIMNNXGAAGM-SNVBAGLBSA-N 287.750 3.749 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1cccc(C#N)c1C 1348751956 WGJIMLUCEZQCEG-CQSZACIVSA-N 272.392 3.813 30 20 CHED N#CCc1cccc(N[C@H]2CCSc3c(F)cccc32)n1 1342842261 LNDPRTHWHAEFRT-AWEZNQCLSA-N 299.374 3.936 30 20 CHED CCCc1ccc(NC(=O)c2ccsc2C#N)cc1 1350020298 JNUGXLUIAITNSC-UHFFFAOYSA-N 270.357 3.825 30 20 CHED C[C@@H](Cc1cccs1)N(C)Cc1cccc(C#N)c1F 223556038 JLLRSLVDLNTYCE-LBPRGKRZSA-N 288.391 3.822 30 20 CHED CCCCC1CCC(N=c2cc[nH]cc2C#N)CC1 1458116225 DYVHJSRREIJLSI-UHFFFAOYSA-N 257.381 3.536 30 20 CHED Cc1cc(CSc2ccc(Cl)cc2C#N)nn1C 1458970761 UMWJWDQRHYTUMU-UHFFFAOYSA-N 277.780 3.546 30 20 CHED CC[C@H](C)[C@H](C)N1CCCN(c2ccccc2C#N)CC1 1459434073 AIPBDIQCDKXRNL-HOTGVXAUSA-N 285.435 3.505 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 1520854154 LSRXAVOGBQPCLA-TZMCWYRMSA-N 293.370 3.871 30 20 CHED C=C[C@@H](N[C@H](C)c1ccccc1Oc1ccccc1)C(=O)O 1602816720 PVUPLZAMOQCZDD-CZUORRHYSA-N 297.354 3.769 30 20 CHED CCCCCCCCC(=O)Nc1cccc(CN)c1 115061737 LUNVKRKUUBZTTM-UHFFFAOYSA-N 262.397 3.834 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc(C(=O)O)co1 1604326939 VBEPQPNYEISCOO-SWLSCSKDSA-N 298.342 3.673 30 20 CHED CC(C)(C#N)CCC[S@](=O)CC1CCCCC1 177113639 ZLCABXVBKPECIY-KRWDZBQOSA-N 255.427 3.645 30 20 CHED Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)cs1 1461891438 YTKVWWTZJUXMDE-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC1(C)CCC[C@@H](NC(=O)[C@@H](CC#N)c2ccccc2)C1 1537492583 KXJSJWIRWCBRFJ-CVEARBPZSA-N 284.403 3.769 30 20 CHED N#CCOc1ccc(CSCC(=O)c2ccccc2)cc1 1473053470 VFRZIHBVWHLLEX-UHFFFAOYSA-N 297.379 3.705 30 20 CHED Cc1cc(SCc2ncc(Cl)n2C)ccc1C#N 1473049118 NWGCXPOPVYFONB-UHFFFAOYSA-N 277.780 3.546 30 20 CHED C=C(Cl)CN1CCN(C2CC2)c2c(C)cccc21 1559763518 LICJEZBWWOYEER-UHFFFAOYSA-N 262.784 3.536 30 20 CHED Cc1cc(Sc2nc(C(C)C)ns2)ccc1C#N 1559218608 IPJCSLYFWMBLMY-UHFFFAOYSA-N 275.402 3.993 30 20 CHED C[C@H](CCC1CCCCC1)Nc1cc(C#N)cnn1 1559104355 HLYJUORKVCTVLU-GFCCVEGCSA-N 258.369 3.509 30 20 CHED COc1ccc([C@@H](C)Sc2cc(C#N)nc(C)n2)cc1 1639353489 NTKTYQPYFFQAMN-SNVBAGLBSA-N 285.372 3.519 30 20 CHED N#Cc1nccc(Sc2c(Cl)cccc2Cl)n1 1641953906 BTFOSVNBROHCOR-UHFFFAOYSA-N 282.155 3.806 30 20 CHED COc1ccc(C#N)cc1CN[C@H]1CCC(C)(C)C[C@@H]1C 1642811265 CBAZVBGSWAASBS-BBRMVZONSA-N 286.419 3.871 30 20 CHED C[C@@H](O)CN(CCC1(C#N)CCCCC1)C1CCCCC1 1644549962 ORCYWRRJUPZQNO-MRXNPFEDSA-N 292.467 3.866 30 20 CHED N#Cc1cnc(NCC[C@@H]2CCc3ccccc32)c(F)c1 1642740803 UDWYPIQBXBGBII-AWEZNQCLSA-N 281.334 3.624 30 20 CHED Cc1ccc(-c2ccccc2NC(=O)[C@@H](C)C#N)s1 1643563559 KPOASQHWEFNGIF-JTQLQIEISA-N 270.357 3.822 30 20 CHED CN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@H]1CCC(C)(C)C1 1640041863 YJFZURVCNYVIIP-SJORKVTESA-N 298.430 3.796 30 20 CHED N#Cc1cnc(SCc2ccco2)c(Br)c1 1651298417 VQRSABCUVWOYQN-UHFFFAOYSA-N 295.161 3.601 30 20 CHED CCC[C@H](CC)Nc1ncc(Cl)c(C)c1C#N 1650710225 WITVGYVTOVBUIN-JTQLQIEISA-N 251.761 3.906 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)s2)c2ccc(F)cc2O1 1657427485 CPURWTPOUTVDPA-JTQLQIEISA-N 288.347 3.546 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(OC)c(C#N)c1 1664152603 GHKBGFGFJDHFFT-NEPJUHHUSA-N 289.379 3.513 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCC1(C)CC1 1776783353 SLCUQHLPOXHMCO-CYBMUJFWSA-N 255.402 3.580 30 20 CHED O=C(O)c1ccc(NN=C2C[C@@H]3CCCC[C@@H]3C2)cc1F 1776076752 FGQBDMUBQZXAJM-PHIMTYICSA-N 290.338 3.892 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)OCc1ccc(C#N)cc1 16295780 OGPOFBOPMWCTGX-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C=C(C)Cn1cnc2scc(-c3ccccc3)c2c1=O 16617028 UMROXECORJZMJV-UHFFFAOYSA-N 282.368 3.701 30 20 CHED C=CCC(CC=C)C(=O)N[C@](C)(CC)c1nccs1 150808485 HJTXRHPPRDSXRD-OAHLLOKOSA-N 278.421 3.653 30 20 CHED C=CCN(CC=C)Cc1ccc(OC)c(OC)c1Cl 158145278 NFKOUEJJMHITMD-UHFFFAOYSA-N 281.783 3.531 30 20 CHED CCc1ccc([C@@H](C)NCc2cc(C#N)ccc2OC)cc1 153616152 GXCWBYMIIYCFGS-CQSZACIVSA-N 294.398 3.980 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)CCC(C)(C)C 156581150 LCKQZJWUMTUYNV-UHFFFAOYSA-N 277.339 3.603 30 20 CHED C[C@H]1CCC[C@@H](C)N1CCCOc1cccc(C#N)c1 34674282 GBGWUAANLYTVBX-GASCZTMLSA-N 272.392 3.590 30 20 CHED C#Cc1cccc(NC(=O)CSc2ccc(C)cc2)c1 36718591 TXLDCBRYDJQWCH-UHFFFAOYSA-N 281.380 3.707 30 20 CHED C=C(C)CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 51132953 XEHFEQGFCFBECS-DLBZAZTESA-N 259.393 3.662 30 20 CHED CCN(Cc1ccccc1)c1nc(Cl)c(C#N)s1 307681413 XRSGNLKVDWNJAF-UHFFFAOYSA-N 277.780 3.695 30 20 CHED C[C@H](NCC=C(Cl)Cl)c1cccc(C#N)c1 407273745 WPIBVCLCOYURHL-VIFPVBQESA-N 255.148 3.528 30 20 CHED CCC(C)(C)c1ccc(Oc2ccnc(C#N)n2)cc1 312320656 GHVWZSGUEOGUGS-UHFFFAOYSA-N 267.332 3.828 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC[C@H]3CCC[C@H]32)n1 614528970 UZSBDAGBEYXFGO-TZMCWYRMSA-N 269.392 3.630 30 20 CHED CCC[C@H](NCc1ccc(C#N)cc1F)C1CCC1 324951563 HBURTAAQHURURW-INIZCTEOSA-N 260.356 3.756 30 20 CHED C[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C1 429573275 YTSAYGHJTQMUBD-FZMZJTMJSA-N 262.784 3.832 30 20 CHED CC1(C)CCCCN(Cc2ccc(C#N)cc2F)C1 438379295 VSFQRLYEISJRLI-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C[C@@H](CCOCc1ccccc1)NCc1cccc(C#N)c1 342272208 SJTZLTCSUAWMOB-INIZCTEOSA-N 294.398 3.643 30 20 CHED C=CCC1(NCc2sc(C)nc2C)CCCC1 657703358 XNYZETNXQLTJBX-UHFFFAOYSA-N 250.411 3.738 30 20 CHED C[C@H](CNc1ccc(C#N)c(Cl)c1)C(F)(F)F 475736283 YCSFECSXAPZOLI-SSDOTTSWSA-N 262.662 3.822 30 20 CHED CCc1ccc(CC)c(NCc2cc(C#N)n(C)c2)c1 480269234 VLEKRFTXMQSJAV-UHFFFAOYSA-N 267.376 3.634 30 20 CHED C=CCCSCCNCc1cccc2cc[nH]c12 594960860 YBRWTGWHVDWKQB-UHFFFAOYSA-N 260.406 3.567 30 20 CHED CCOc1ccc(OCc2ccc(CC#N)cc2)cc1 398950778 BWHGRIXVYAUGRD-UHFFFAOYSA-N 267.328 3.730 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(CC#N)cc2)[C@@H]1C 399024332 GRLKXUSRSAFFBK-CPUCHLNUSA-N 256.393 3.667 30 20 CHED N#Cc1ccc(NC(=O)CSC2CCCC2)cc1Cl 4871380 HLWHLFMLXPOTKW-UHFFFAOYSA-N 294.807 3.826 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1cccc2ccccc12 7619259 KNSSSJSWPVTUTL-CYBMUJFWSA-N 284.428 3.941 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1 7717906 YMWZJKIHFKLKKB-RMKNXTFCSA-N 282.339 3.908 30 20 CHED COCCOc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1 107099319 AGXYGAHTUPACPH-RMKNXTFCSA-N 286.327 3.509 30 20 CHED C=CCOCCCC(=O)N1CC[C@H](C)c2ccccc21 173599788 GZCZNPQOOCSWTA-AWEZNQCLSA-N 273.376 3.510 30 20 CHED CC(C)COc1ccccc1NC(=O)NCCCCC#N 171377027 OXYATEAHGJZDPY-UHFFFAOYSA-N 289.379 3.537 30 20 CHED C=C(C)CSc1nnc(COc2cccc(C)c2)o1 58122571 VWBSJQSFCJKWSO-UHFFFAOYSA-N 276.361 3.625 30 20 CHED CC(C)(C#N)c1ccc(Nc2ccnc(C3CC3)n2)cc1 110128598 DJVYCEBBUDVYSP-UHFFFAOYSA-N 278.359 3.899 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2c[nH]c3ccccc23)c1C 102714108 WLPFVKWMAZBACL-MDZDMXLPSA-N 293.370 3.897 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)c1ccc(F)c(Cl)c1 54183293 HNSHTYPUUGQRLT-ONGXEEELSA-N 254.736 3.822 30 20 CHED CCC1(CNC(=O)Nc2cccc(C#N)c2C)CCC1 178550133 RUMXFMFBBGWGTE-UHFFFAOYSA-N 271.364 3.569 30 20 CHED N#Cc1ccccc1OC1CCC(NC2CCCC2)CC1 111408781 HEZLGEXBHUBTCQ-UHFFFAOYSA-N 284.403 3.780 30 20 CHED COc1cccc(CSCCOc2ccc(C#N)cc2)c1 57686497 PMBCXMQMMMRUJH-UHFFFAOYSA-N 299.395 3.879 30 20 CHED N#CCCCN1CCC[C@H]1c1ccc(Br)cc1 52453297 XYPJOYSXCLOSQD-AWEZNQCLSA-N 293.208 3.890 30 20 CHED CCc1cccc(NC(=O)CSc2ccccc2C#N)c1 172681921 RQYPOJMZNFVYIL-UHFFFAOYSA-N 296.395 3.851 30 20 CHED CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C#N)cc1 179613635 RPIKLDLZNVAMHU-UHFFFAOYSA-N 296.374 3.677 30 20 CHED N#Cc1nccnc1NCC1(c2ccc(Cl)cc2)CCC1 301139792 DBHKVPDKIGCJBS-UHFFFAOYSA-N 298.777 3.535 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C1CC1)[C@H](C)C1CC1 175747933 RMDSSAWVEOJZSE-GFCCVEGCSA-N 283.375 3.662 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1COc2ccccc21 303657637 YCPAJTDPVBWIQB-QGZVFWFLSA-N 299.414 3.758 30 20 CHED CCCCCCC[C@@H](C)NCC1(OC)CCOCC1 136598055 NDANDMZQYNYTPZ-OAHLLOKOSA-N 271.445 3.521 30 20 CHED CCC[C@]1(C)CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 302197542 PLDBZBVQYQPNJC-MRXNPFEDSA-N 287.363 3.873 30 20 CHED CCOC1CC(CCNc2ccc(C#N)c(Cl)c2)C1 302714946 XYBROVPLLGTGOU-UHFFFAOYSA-N 278.783 3.829 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(c2ccc(C#N)nc2)C2CC2)o1 301538150 UOTDOPFQMNRBBV-PXAZEXFGSA-N 293.370 3.839 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCCc2c(O)cccc21 302706394 JLGXFQQMDFLDBU-OAHLLOKOSA-N 282.318 3.892 30 20 CHED C[C@H]1CC[C@H](C)N1c1ccc(C#N)c(C(F)(F)F)c1 301904960 PYHMDXLWOHIDBH-UWVGGRQHSA-N 268.282 3.954 30 20 CHED C=CC1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 120786204 CYLIOSDYLLOWGX-GFCCVEGCSA-N 280.437 3.639 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(-n2cccc2)c1 171774568 BKLQZORXZMQQTE-UHFFFAOYSA-N 281.359 3.683 30 20 CHED C=CC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 301268489 QDSYKULOJRFYME-UHFFFAOYSA-N 266.728 3.651 30 20 CHED N#Cc1ccccc1OCCN[C@H](c1ccccc1)C1CC1 128023786 AJSPEEAXXSFRSD-LJQANCHMSA-N 292.382 3.678 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@H]1C=CCC1 120651975 TURJMQSNLIOFIY-ZDUSSCGKSA-N 261.390 3.619 30 20 CHED CCCc1nnc(S[C@H](C#N)C2CCCCC2)o1 121889284 FFKMPQOQIWCQHA-LLVKDONJSA-N 265.382 3.587 30 20 CHED CC(C)(C)c1ncc(C(=O)OCC2(C#N)CCCC2)s1 183858629 HTZLWHRCHKOGCP-UHFFFAOYSA-N 292.404 3.681 30 20 CHED Cc1cccc([C@@H](C)C(=O)[C@@H](C#N)c2nc(C)cs2)c1 123797298 YZPQUWZAHNFKNO-TZMCWYRMSA-N 284.384 3.740 30 20 CHED C=CCC[C@H](NC[C@H](C)Oc1ccccc1OC)C1CC1 121419256 SMTYXENKYGQPNW-HOCLYGCPSA-N 289.419 3.797 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1nccn1C(C)C 124201254 QGSNXBHTAYOTQO-UHFFFAOYSA-N 298.390 3.735 30 20 CHED C[C@@H](CC(=O)Nc1ccc(OCC#N)cc1)CC(C)(C)C 36681567 QLSUHWATPFZANU-ZDUSSCGKSA-N 288.391 3.990 30 20 CHED COc1ccc(CNc2cccc3cnccc23)cc1C#N 124950973 KUEDHBPWTJFWBF-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CN(CCC#N)c1ccc2c(Cl)ccc(Cl)c2n1 301985580 JQRYREWIAHKFSN-UHFFFAOYSA-N 280.158 3.891 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(-c2ccccc2)no1 122962087 LVZLIAAGLFWLFK-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 75308837 HHXYHBXLOJEBLY-UONOGXRCSA-N 287.407 3.524 30 20 CHED COc1ccc(F)cc1CN(CCC#N)CCC(C)C 72691995 ODVOBRBRIXYCIU-UHFFFAOYSA-N 278.371 3.596 30 20 CHED C#CCCCCC(=O)N(c1ccccc1C)C(C)C 121110495 HHLKLFXYMCOJTQ-UHFFFAOYSA-N 257.377 3.930 30 20 CHED C=CCOCCCC(=O)NCc1ccc(C)c2ccccc12 412485987 HJHQHMFEBVPQLF-UHFFFAOYSA-N 297.398 3.747 30 20 CHED CCC1(C(=O)N(C)Cc2cccc(C#N)c2)CCCCC1 185641486 SSILQSWTZDVCKB-UHFFFAOYSA-N 284.403 3.877 30 20 CHED CC[C@@H](CC#N)NC(=O)c1csc(-c2ccccc2C)n1 183938745 IJFJYCUOFIWBST-LBPRGKRZSA-N 299.399 3.541 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccco1 181393745 BISUTJHEJCVOJZ-CHWSQXEVSA-N 264.369 3.727 30 20 CHED CCC(CC)[C@H]1C[C@@H](NCc2ccc(C#N)s2)CCO1 180372507 NTMXZZWLHMPKEZ-XJKSGUPXSA-N 292.448 3.693 30 20 CHED C=CCOCCCC(=O)Nc1ccc(Cl)c(SC)c1 413952143 ITKUSPUMGXTKRR-UHFFFAOYSA-N 299.823 3.983 30 20 CHED C[C@@H](NC(=O)CC1=CCCCC1)c1cccc(C#N)c1 75273570 LBHJLEAYGRCLGM-CYBMUJFWSA-N 268.360 3.626 30 20 CHED C=C[C@H](CC(=O)NCCc1ccccc1F)c1ccccc1 123562653 BRVRFQZWLOWXQR-OAHLLOKOSA-N 297.373 3.844 30 20 CHED Cn1c(NCc2cccc(C#N)c2)nc2c(Cl)cccc21 185856821 WWVUNKLKLSQHHP-UHFFFAOYSA-N 296.761 3.710 30 20 CHED C[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1cccc(F)c1 75270269 FHRWCALLWINPJT-QWHCGFSZSA-N 296.345 3.678 30 20 CHED C=C(C)CCN(CCCO)[C@@H]1CCCc2ccccc21 509377112 BELNSOGZVAKQKL-GOSISDBHSA-N 273.420 3.715 30 20 CHED CC#CCCCC(=O)N(Cc1ccccc1)c1ccccn1 185107880 DDDDCMKJCALFSK-UHFFFAOYSA-N 292.382 3.808 30 20 CHED N#CC1(CC[S@@](=O)c2ccc(F)cc2F)CCCCC1 414244635 SEKJQIMCTAZDTE-HXUWFJFHSA-N 297.370 3.937 30 20 CHED C=CCC[C@H](N[C@@H](C)C[C@H](O)c1ccccc1)C1CC1 120646462 ITZGUESGZVKPNO-WBAXXEDZSA-N 273.420 3.833 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC=CCC1 77642544 YKGYAUBBEBVMTG-OAHLLOKOSA-N 288.366 3.632 30 20 CHED CC(C)[C@H]1OCCC[C@H]1CN[C@@H](C)c1cccc(C#N)c1 182005008 WOXVBAKQFXFKPM-JCGIZDLHSA-N 286.419 3.660 30 20 CHED C=CCNC(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C 506159294 GIIPBSUSWXZIAI-AWEZNQCLSA-N 280.799 3.565 30 20 CHED C[C@H](CC(F)F)C(=O)N[C@H](CCCC#N)c1ccccc1 412368129 USCVGAFAHJEVES-TZMCWYRMSA-N 294.345 3.829 30 20 CHED N#C[C@@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1 49870636 YFDMNFKJMMQTRW-CQSZACIVSA-N 276.767 3.601 30 20 CHED CCc1cccc(C)c1NC(=O)c1cccc(CC#N)c1 42192670 DTDOHZFDZGIORY-UHFFFAOYSA-N 278.355 3.876 30 20 CHED CC1CCC(N(/C(O)=N/[C@@H]2CCC[C@@H]2C#N)C2CC2)CC1 329670796 RVERWXZAAUNSHN-YWIABWOTSA-N 289.423 3.636 30 20 CHED Cc1csc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 88602666 MCHRDFCJCXXMCU-JKSUJKDBSA-N 297.427 3.723 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)c1cccc(CC#N)c1 42349519 ZAFZIXAQEPSENI-CQSZACIVSA-N 278.355 3.552 30 20 CHED C=CCCOCCN[C@@H](CC)c1ccc(Cl)cc1 229860642 HHUYXSZFMWQCDJ-HNNXBMFYSA-N 267.800 3.973 30 20 CHED CCCOc1cccc2c(NC[C@H](C)C#N)ccnc12 194722235 YCGPVDOSWYWAOZ-GFCCVEGCSA-N 269.348 3.595 30 20 CHED C[C@@H]1CCC[C@H](C/C(O)=N/CCc2csc(O)n2)C1 329474852 BAPXWYNVKZKNAP-MNOVXSKESA-N 282.409 3.564 30 20 CHED CCC1(CC)CCCN(C[C@H](C#N)CCC#N)CC1 190410947 LOQGFKRBONPLDS-HNNXBMFYSA-N 261.413 3.722 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCCCSC 131626369 SPTSOBOVKSSRPS-UHFFFAOYSA-N 283.462 3.796 30 20 CHED CCc1ccc(C/N=C/c2cc(OC)ccc2O)s1 48501862 WZNISAWZJJPURQ-CXUHLZMHSA-N 275.373 3.644 30 20 CHED CC[C@H](C#N)Oc1cc(CN[C@@H](C)C(C)C)ccc1OC 89632461 CKNZYSYRYFJJPG-DZGCQCFKSA-N 290.407 3.510 30 20 CHED C=CCC[C@H](N[C@H]1CCOC[C@@H]1C)c1ccccc1 195079583 DPUDBVYDAVQVGU-XIRDDKMYSA-N 259.393 3.709 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)CC#N)c1ccc2ccccc2c1 84599162 KVPHQVLGYDVBHJ-KGLIPLIRSA-N 280.371 3.704 30 20 CHED C[C@@H]1CCCC[C@@H]1C/N=C(/O)c1ncoc1C1CC1 328869395 XRCAZEHYYPPTQR-ZYHUDNBSSA-N 262.353 3.683 30 20 CHED CCC(CC)N(CCCC1(C#N)CCOCC1)C1CC1 518274427 DOYPGCYCRMWCQR-UHFFFAOYSA-N 278.440 3.740 30 20 CHED C[C@@H]1C[C@@H](C)N(c2ccc(C#N)c(Br)c2)C1 228196612 UBMYKQDORBVEEA-NXEZZACHSA-N 279.181 3.555 30 20 CHED C=CCCCCCS[C@@H](C)C(=O)N(C)C(C)C 192548667 OYHYVDGQYRUAPB-ZDUSSCGKSA-N 257.443 3.721 30 20 CHED Cn1cc(/C=C/c2nc3cc(Cl)ccc3o2)cc1C#N 191222669 JLBWXJJEJKJCHG-GORDUTHDSA-N 283.718 3.862 30 20 CHED Cc1cccc2c1CN(c1c(F)cc(C#N)cc1F)CC2 428662755 HCNJGNKGDSYFAO-UHFFFAOYSA-N 284.309 3.708 30 20 CHED C=CCCN(C)Cc1c(C)nn(-c2ccccc2C)c1C 338543877 HQVLHXQRCZMDST-UHFFFAOYSA-N 283.419 3.805 30 20 CHED Cc1ccc(CNC(=O)c2cc(C#N)ccc2Cl)s1 334311942 KJZAOWAOEBIFEY-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCCc2ccccc21)OCC 339353104 AIZMLLPFSAXESL-QGZVFWFLSA-N 287.403 3.727 30 20 CHED CC(C)CC(C)(C)C/N=C(/O)N[C@@H]1CCO[C@H](C(C)C)C1 330632489 QXXWEODJPSYBBV-CABCVRRESA-N 298.471 3.766 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C(C)C)nc1CC 338481951 AYCMXYRVNCBHCB-UHFFFAOYSA-N 272.392 3.582 30 20 CHED Cc1ccccc1CC(=O)[C@H](C#N)c1nc(C(C)C)cs1 80459123 TXUFDQZTAGQTET-AWEZNQCLSA-N 298.411 3.994 30 20 CHED C=C(CNC(=O)N1CCC[C@H](C)CC1)c1ccccc1 512665020 CTPWZGQJVNCDJC-AWEZNQCLSA-N 272.392 3.531 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cccc2[nH]ccc12 427191022 WTJGJVHHYKTDII-KRWDZBQOSA-N 270.376 3.729 30 20 CHED C=CCCCCCS[C@H](C)C(=O)NCC(F)(F)F 192550192 RFBUBLVCDPLERK-SNVBAGLBSA-N 283.359 3.533 30 20 CHED Cc1csc(CSc2ccc(C#N)cc2F)n1 336070374 MNIBENXEVBBBSG-UHFFFAOYSA-N 264.350 3.755 30 20 CHED C[C@H]1CN(CCCC2(C#N)CCOCC2)c2ccccc21 337133931 LHCOBVXOGPFTJN-HNNXBMFYSA-N 284.403 3.711 30 20 CHED Cc1c(Cl)cccc1NC(=O)N(C)CC(C)(C)C#N 336137315 JRBHHHYADLIGNQ-UHFFFAOYSA-N 279.771 3.662 30 20 CHED CC(C)(C)Oc1ccc(Nc2ccncc2C#N)cc1 515629263 OQOPOTOYMFZJEO-UHFFFAOYSA-N 267.332 3.874 30 20 CHED C[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)C(C)(C)C1 335768764 WSIUKJIUPGOOSP-LBPRGKRZSA-N 288.416 3.563 30 20 CHED N#CC1(CNC(=O)N2CCCC[C@@H]2c2ccccc2)CCC1 333866756 AXZDLEDWFIMOSN-MRXNPFEDSA-N 297.402 3.617 30 20 CHED CC[C@H](C(=O)NCC1(CC#N)CC1)C1CCC(C)CC1 431169379 UYEXDRFJJCUPCH-NRXISQOPSA-N 276.424 3.649 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)C1CCC(=O)CC1 330190531 WFEAKXVLSZPTNW-UHFFFAOYSA-N 297.358 3.732 30 20 CHED C=CCCC(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 338652568 QUYXBFQDABZEPJ-INIZCTEOSA-N 295.386 3.714 30 20 CHED C=CCC[C@@H](NC(=O)c1[nH]ccc1C)c1ccccc1 436144874 FBACETVLLLELPO-OAHLLOKOSA-N 268.360 3.760 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)ccc2O)cc1OC 96620066 JYFHBDZEZQMBMA-YVMONPNESA-N 298.338 3.614 30 20 CHED C[C@H](CCN[C@H]1CCC[C@@H](C#N)C1)N(C)Cc1ccccc1 248756175 GDZNIBWUCBHKQW-QRQLOZEOSA-N 299.462 3.569 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(C#N)cs1 437912709 SBYPUZJDBBHGBS-CMPLNLGQSA-N 276.405 3.564 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2ccc(Cl)c(F)c2)n1 346655011 JBKLFZABCMOVON-UHFFFAOYSA-N 289.741 3.691 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(-c2nccs2)c1 341472900 ANHMXLUIQNUSAG-UHFFFAOYSA-N 287.388 3.850 30 20 CHED Cc1ccc(Cn2nc(C#N)c3ccccc32)cc1C 432476597 NLGGUONTVZABFL-UHFFFAOYSA-N 261.328 3.573 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc2ccccc2c1 343583220 MIKPJTPUSCCCKQ-ZDUSSCGKSA-N 250.345 3.794 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc(Cl)ccc1Cl 608824236 WCLGVDXADPALOI-SNVBAGLBSA-N 285.174 3.661 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 436076325 JMXJLASVEIQTDA-QGZVFWFLSA-N 296.370 3.977 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(C)s1 348641491 JTLROKPAXDPOMH-UHFFFAOYSA-N 291.416 3.720 30 20 CHED C=CC[C@H]1N(C(=O)C[C@H](C)SC)CCCC1(C)C 347477150 CIVUBWPNGFFPRP-QWHCGFSZSA-N 269.454 3.721 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccc(Br)cc1F 602927972 ZYJCRRHZYMQWCH-SNVBAGLBSA-N 299.187 3.712 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1nccc2ccccc12 527999690 YHADCAYNUHIVGD-GDBMZVCRSA-N 268.360 3.628 30 20 CHED N#C[C@@H]1CCC[C@@H]1N[C@H]1CCc2cc(F)c(Cl)cc21 600144692 MTPAHUZGUSJCQC-LKTVYLICSA-N 278.758 3.748 30 20 CHED CC[C@H](NCCSC(C)C)c1ccc(C#N)cc1 348283077 TXCJITDTFCXGHI-HNNXBMFYSA-N 262.422 3.741 30 20 CHED Cc1ccc2occ(CC(=O)N(CC#N)C3CCCC3)c2c1 528628925 MWXUKACTSVDMRZ-UHFFFAOYSA-N 296.370 3.579 30 20 CHED Cc1cc(NCC2(c3ccc(F)cc3F)CC2)cc(C#N)n1 342751892 JXSJCVIUSPXHMO-UHFFFAOYSA-N 299.324 3.684 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cccc2cccnc12 343259796 ODVGALIDHHYHGN-AWEZNQCLSA-N 282.387 3.638 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cc(O)ccc1[N+](=O)[O-] 255365544 XSPLMOKYHUOZTJ-DJWKRKHSSA-N 289.312 3.566 30 20 CHED C=CCn1c(C)cc(C(=O)COc2ccc(F)cc2)c1C 255930800 MSHMSAPBXSACJA-UHFFFAOYSA-N 287.334 3.692 30 20 CHED C=C[C@H](Cc1nc(-c2coc(C)n2)no1)c1ccccc1 347308253 YOTIPWMXGKLSQW-GFCCVEGCSA-N 281.315 3.545 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)CC1CCCCC1 446989026 KPUIYMPLHIXZNC-AWEZNQCLSA-N 264.413 3.729 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(F)cc2OC(F)F)C1 442849532 BSEVLQAPPCAHSD-SCZZXKLOSA-N 270.254 3.531 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)C(C#N)(CC)CC 600252723 MAWMQZUXWYNETJ-MRXNPFEDSA-N 286.419 3.844 30 20 CHED CC[C@@H](NCCOc1ccccc1C)c1ccc(C#N)cc1 447533702 YKDRXHZJQJQJBH-GOSISDBHSA-N 294.398 3.986 30 20 CHED Cc1ccccc1C=NOCc1nc(CCC(C)C)no1 255507363 REGJRKHEZLDUEP-UHFFFAOYSA-N 287.363 3.517 30 20 CHED COc1ccc2c(c1)CN(CCC#N)[C@@H](C1CCCCC1)C2 444750931 MEUUBSOAZHRMJW-LJQANCHMSA-N 298.430 3.916 30 20 CHED C=C(C)CN(CC)C(=O)COc1cccc(C(C)C)c1 255925518 ITLPWEAUNCTUHT-UHFFFAOYSA-N 275.392 3.613 30 20 CHED COc1ccc(-c2cccc([C@@H]3CCCN3)c2)cc1C#N 600790408 YZSCVGWYJVUDRD-KRWDZBQOSA-N 278.355 3.658 30 20 CHED Cc1noc([C@@H](C)S[C@@H](C)c2ccc(C#N)cc2)n1 609824892 CKZQDSLQMVMRSR-VHSXEESVSA-N 273.361 3.805 30 20 CHED CC[C@@H](NC[C@@H](C)C(F)(F)F)c1ccc(C#N)cc1 447602449 ULZOEMNMHQVODO-ZWNOBZJWSA-N 270.298 3.797 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(OC(C)C)cc1Cl 445001568 VJXRTJZLOCFBSC-SNVBAGLBSA-N 282.771 3.823 30 20 CHED C[C@H](NC[C@@H](C1CCCCC1)N(C)C)c1ccc(C#N)cc1 539498418 OQGQGIJRMUQETG-KXBFYZLASA-N 299.462 3.719 30 20 CHED Cc1ccc(O)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 356528367 GGWVIEWSAVREFN-OAHLLOKOSA-N 294.354 3.727 30 20 CHED CC(C)OCc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 442876965 SXVQBXJFRWMDMD-HOCLYGCPSA-N 258.365 3.716 30 20 CHED N#C[C@@H]1CC[C@H](NCCCO[C@H]2CCCc3ccccc32)C1 442873258 KBENBUQMOGLCEM-AYBZRNKSSA-N 298.430 3.753 30 20 CHED C=C(C)CN(C)Cc1csc(-c2ccc(C)o2)n1 351140493 HBBRIJZRWVIHNM-UHFFFAOYSA-N 262.378 3.719 30 20 CHED Cc1ccccc1C1(CNCc2ccc(C#N)cc2F)CC1 533446234 JQGJIXSVCHTTGH-UHFFFAOYSA-N 294.373 3.827 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCc2ccc(F)cc21 531561399 AWMLKJJBIUUJSZ-INIZCTEOSA-N 273.351 3.698 30 20 CHED CCN(CCC#N)Cc1csc(-c2ccccc2F)n1 266938000 QLHZBAJNBCPDDW-UHFFFAOYSA-N 289.379 3.685 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1C 355648755 XZHLTMIMSMGKED-UHFFFAOYSA-N 299.761 3.814 30 20 CHED CCc1ccc(CNc2cccc(OCCCC#N)c2)cn1 352816815 MEIQPRXWWKKKHW-UHFFFAOYSA-N 295.386 3.939 30 20 CHED C=C(CC)CNc1ccccc1C(=O)N(CC)CC 358647892 GXUBWGPIHXWMMV-UHFFFAOYSA-N 260.381 3.547 30 20 CHED C=CCCC1(C(=O)N2CCS[C@H]3CCCC[C@@H]32)CC1 356377943 AAENETZVDSNTNP-KBPBESRZSA-N 279.449 3.619 30 20 CHED CC[C@@H](NC[C@@H]1CC=CCC1)c1ccc(C#N)cc1 447564826 ZGJXTCVDDMAYME-NVXWUHKLSA-N 254.377 3.955 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N(C)[C@@H](C)CC#N)c1 352576515 JBOXDTMDWKWGPL-LSDHHAIUSA-N 286.419 3.749 30 20 CHED CC[C@H](c1ccccc1OC)N(C)C(=O)CC(C)(C)C#N 359898000 AKILHACIEDRAGT-CQSZACIVSA-N 288.391 3.545 30 20 CHED C=CCCNC(=O)CCC(=O)c1ccc(CCCC)cc1 617615010 XVBJOICLPXBXBH-UHFFFAOYSA-N 287.403 3.684 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2sccc2C2CC2)n1 357508815 GBXSLZIPNQDUFB-NSHDSACASA-N 288.397 3.881 30 20 CHED Cc1cccc2c(=NCc3cccc(F)c3)c(C#N)c[nH]c12 610246206 PIMLYVRVQVMZJR-UHFFFAOYSA-N 291.329 3.588 30 20 CHED C=CC1CCN(Cc2ccc(OC(C)C)cc2)CC1 537628188 OPEIEXQINUPNCR-UHFFFAOYSA-N 259.393 3.872 30 20 CHED N#Cc1cccc(OCCN2CC[C@H]2c2cccc(F)c2)c1 610505821 XUEONIIQFFKZHR-SFHVURJKSA-N 296.345 3.523 30 20 CHED C=C(CC)CNC(=O)Nc1cc(Br)ccc1C 454508368 MHBYMZNITPCCMA-UHFFFAOYSA-N 297.196 3.845 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1cc(C#N)[nH]c1C 450076737 RFRRFBNXZQAPQP-ZDUSSCGKSA-N 275.396 3.531 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2cc(C)ccc2F)no1 453278564 FMELAGXRILGMDX-GFCCVEGCSA-N 290.338 3.762 30 20 CHED Cc1cc(-c2noc([C@H](C)c3cccc(C#N)c3)n2)c(C)o1 361267056 XDEJZANKGAQEQD-LLVKDONJSA-N 293.326 3.970 30 20 CHED CC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H]1CCCO1 613428015 RVQWKKXCEHUNCH-UONOGXRCSA-N 287.407 3.620 30 20 CHED CO[C@@](C)(CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 453313092 DHGMPGBNACCSSJ-BEFAXECRSA-N 294.398 3.771 30 20 CHED CC(C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 541901315 WURDWWIPERLMQQ-GHMZBOCLSA-N 297.185 3.515 30 20 CHED CCCC1CCC(NC(=O)NCC(C)(C)CC#N)CC1 457940252 HWLVGSMDRJHZAU-UHFFFAOYSA-N 279.428 3.584 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCC1CC(F)(F)C1)CC2 453416079 JUMAJQGWSCQMLA-HNNXBMFYSA-N 276.330 3.571 30 20 CHED CC[C@@H](NC[C@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1 453436677 UTJJPICBTQNFHX-DOTOQJQBSA-N 286.419 3.804 30 20 CHED C[C@@H](NC[C@@H](C)C(F)(F)F)c1ccc(C#N)cc1F 548158484 JENCUXGGHHGLRN-RKDXNWHRSA-N 274.261 3.546 30 20 CHED C=CCC[C@H](CO)N[C@H](CC)c1ccc(OC(F)F)cc1 453371748 UUZZAXMTZJBWII-UKRRQHHQSA-N 299.361 3.656 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 459096637 PWNVXVLWTHPEFT-TXEJJXNPSA-N 292.345 3.715 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1cnc(C#N)c(Cl)c1 455750635 GWUDPQZOYLLIPK-JTQLQIEISA-N 294.786 3.553 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H]2C(C)C)c1 455977663 CASVEEFWNRNLJB-OAHLLOKOSA-N 271.364 3.519 30 20 CHED CC(C)(C#N)CCCN1CC=C(c2ccc(C#N)cc2)CC1 362107752 YHUMWEXPVNGCRP-UHFFFAOYSA-N 293.414 3.977 30 20 CHED CC[C@H](CC#N)NCc1cc2c(C)cc(C)cc2[nH]1 361158327 ZVWRRPNQEVCNDC-CYBMUJFWSA-N 255.365 3.567 30 20 CHED C=CCN(Cc1cccs1)[C@@H](C)c1ccncc1 623194298 OSSGNFOQFKHSCH-ZDUSSCGKSA-N 258.390 3.892 30 20 CHED C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC1(C#N)CC1 545285280 PTFZGMGVWUWBDW-NSHDSACASA-N 282.309 3.530 30 20 CHED COc1ccc(N(C(=O)CC(C)(C)C#N)C(C)C)cc1F 278720711 MAQNRCLITVDJEV-UHFFFAOYSA-N 292.354 3.516 30 20 CHED C=CCCN(C)C(=O)c1cc(C)c(C)cc1Cl 276467820 WSOQGGFJVHLHGW-UHFFFAOYSA-N 251.757 3.605 30 20 CHED C#CC[C@@H](NCc1ccc(COC)cc1)c1ccccc1 270167262 GYPROOFJXPGZFQ-LJQANCHMSA-N 279.383 3.687 30 20 CHED N#CC1(CN2CCC[C@H]2c2cccc(F)c2)CCC1 450274609 BLIDATYXMNPBDC-HNNXBMFYSA-N 258.340 3.656 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 279995881 CWKKZXJRUVAQSU-WMLDXEAASA-N 296.414 3.892 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(C2CCC(C)(C)CC2)no1 453174800 AOCRRZXOXXSDJJ-ZUZCIYMTSA-N 259.353 3.555 30 20 CHED C=CC[C@H](C(=O)OCc1nc(C)cs1)c1ccccc1 275046384 NQPWMEHOYRAHKY-AWEZNQCLSA-N 287.384 3.855 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)c1ccc2ccccc2c1 465116585 WXIXQSYTFHKTLB-STQMWFEESA-N 253.345 3.634 30 20 CHED COc1cccc([C@@H]2C[C@@H](C)CN2c2ncccc2C#N)c1 373282986 ZKXUQBQOGXMWPP-DYVFJYSZSA-N 293.370 3.549 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 544026456 ZCWRBRLNGFTKOL-YCPHGPKFSA-N 274.408 3.833 30 20 CHED C=CC[C@@H](C(=O)NCC(C1CC1)C1CC1)c1ccccc1 548289302 HAEAYBQEJVJTNU-QGZVFWFLSA-N 283.415 3.899 30 20 CHED CC#CCCSc1ncnc2sc3c(c12)CCC3 462382642 CETLACPFVKCWIL-UHFFFAOYSA-N 274.414 3.686 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](CC)Oc2ccccc21 467516755 OYKZTLABMRCGID-OAHLLOKOSA-N 285.387 3.959 30 20 CHED C=C[C@H](CC(=O)N1CCCc2occc2C1)c1ccccc1 289077365 BSWJQWYPEVUBQR-OAHLLOKOSA-N 295.382 3.914 30 20 CHED CC#CCSCc1ccc(SC)c(OC)c1 464097442 VASFFWYDYWRWBP-UHFFFAOYSA-N 252.404 3.674 30 20 CHED C=CCOc1cccc(NC(=O)[C@@](C)(C=C)CC)c1 468116000 UFNPGTHPLOLCFE-INIZCTEOSA-N 259.349 3.792 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1sc(C)c(C)c1C#N 463073324 YSUKEYONWFZUNT-GHMZBOCLSA-N 262.378 3.611 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H]2CCC[C@@H]21 460959426 OUMVWNOCXLWERD-KFWWJZLASA-N 288.439 3.747 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 281091751 PDCWUBIGRVLGTC-SDDRHHMPSA-N 279.330 3.539 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCNc2ccccc21 280940010 WAKDFONINMFTEI-QGTPRVQTSA-N 286.419 3.504 30 20 CHED Cc1ccccc1CN(C)CCCC1(C#N)CCOCC1 281925830 HQRBSXXHIPHXOU-UHFFFAOYSA-N 286.419 3.527 30 20 CHED C=C[C@@H](C)NC(=O)c1csc(-c2cccc(Cl)c2)n1 465106670 GKPQKRXCBRYGFR-SECBINFHSA-N 292.791 3.768 30 20 CHED C=CCCN(C)CCOc1ccccc1C(F)(F)F 467285286 CQIJURPWQHIIAN-UHFFFAOYSA-N 273.298 3.592 30 20 CHED CC[C@@H](C)CCC(=O)N[C@](C)(C#N)C1CCCCC1 552188021 PLNHFARWSYOKFQ-CZUORRHYSA-N 264.413 3.791 30 20 CHED C[C@H]1CCCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 281680922 UPBNMMGCGZETTD-AWEZNQCLSA-N 284.403 3.750 30 20 CHED C=CCN(Cc1c(CC)nn(C)c1CC)c1ccccc1 475131937 TZUHMZRMYBFYKL-UHFFFAOYSA-N 283.419 3.738 30 20 CHED CC(C)(CC(=O)NC1(C#N)CCCCC1)c1ccccc1 299520349 YGKFULJDWIPJJP-UHFFFAOYSA-N 284.403 3.697 30 20 CHED C#C[C@@H](NC(=O)/C=C(/C)C1CC1)c1ccc(Cl)cc1F 804419460 NPIIVIPMEUHVEE-WKTRQSJXSA-N 291.753 3.626 30 20 CHED CC(=NNCC1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] 808007175 SXLSMJHOOUJLMZ-UHFFFAOYSA-N 295.770 3.752 30 20 CHED CCCN(CC#N)C(=O)c1cc2cc(C)ccc2s1 290839957 YULBUYVHVJDBAC-UHFFFAOYSA-N 272.373 3.586 30 20 CHED C[C@@H]1/C(=C/c2cnn3ccccc23)C(=O)c2ccccc21 809158497 BAOHVIXPLUXTNB-KPENOIPVSA-N 274.323 3.718 30 20 CHED C=C1CCN(Cc2cc3c(C)c(C)ccc3[nH]2)CC1 473142485 WFYIZUWZIAXPHG-UHFFFAOYSA-N 254.377 3.937 30 20 CHED CC1(C)[C@H]2CN(c3cc(C#N)ccc3C(F)(F)F)C[C@@H]21 475507371 JIAXMSGMZAAZNC-RYUDHWBXSA-N 280.293 3.669 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc2c(ccn2CCC)c1 806257300 GIRQTRGGVZVZSO-AWEZNQCLSA-N 283.375 3.585 30 20 CHED N#Cc1sc(Oc2ccc(C=O)cc2Cl)nc1Cl 804387169 RDPXHCQPXYBYHI-UHFFFAOYSA-N 299.138 3.926 30 20 CHED Cc1cc(CN2CCC[C@@H](CC#N)C2)c2ccccc2n1 397628565 UWHQTUJQCWSYNU-HNNXBMFYSA-N 279.387 3.669 30 20 CHED C#C[C@@H](NC(=O)CCCC=C)c1ccc(Cl)cc1F 804424098 FEJUXQUMNQEEFQ-CQSZACIVSA-N 279.742 3.626 30 20 CHED C=C(C)CN(CC)c1nnc(C2CC2)n1Cc1ccccc1 564614504 VHSLDBNNNKEAHC-UHFFFAOYSA-N 296.418 3.606 30 20 CHED CCCCCN(CCO[C@@H](C)C#N)Cc1ccc(F)cc1 801910759 WWDDFMURWSPVHV-HNNXBMFYSA-N 292.398 3.747 30 20 CHED N#CCCCC(=O)NC1(c2ccc(F)cc2F)CCCC1 291832915 SSCJOMSTPAJXLR-UHFFFAOYSA-N 292.329 3.544 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)c1ccc(C#N)c(Cl)c1 563170469 MBHVANQGTNMCMG-JTQLQIEISA-N 276.767 3.615 30 20 CHED CC[C@@H](CC#N)NCCOc1ccc2ccccc2c1 564344166 OPTAPYPQVZBQST-INIZCTEOSA-N 268.360 3.500 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cccc3cccnc23)c1 818206244 YVCQKZZYULAHBU-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C#CCOc1cc(F)ccc1N[C@H](C)Cc1ccc(O)cc1 816524076 POCMGVYNINTAIG-CYBMUJFWSA-N 299.345 3.586 30 20 CHED CC(=NOCc1ccc(F)cc1)c1cc(C(=O)O)cs1 814903311 CDQSMXDXBOZIAS-UHFFFAOYSA-N 293.319 3.526 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@H](c3ccccc3F)C2)n1 565909892 WHFNVIVUIFFHDR-HDJSIYSDSA-N 281.334 3.759 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 814304508 WKMLWKGXFDURQT-HNNXBMFYSA-N 292.810 3.500 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)c1ccccc1OC 488863601 IXHBFVWDRXKORP-HUUCEWRRSA-N 287.403 3.756 30 20 CHED COc1ccc(CCC=NOCCC2CC2)c(C)c1 814245765 HHCDOBJJIPORLD-UHFFFAOYSA-N 261.365 3.739 30 20 CHED C[C@H]1CCC(=NNc2nc(C(F)(F)F)cs2)C1 814868041 UQIQFQPJDHCUQI-LURJTMIESA-N 263.288 3.750 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 815607059 ONKJGCGMFRHRAL-OAHLLOKOSA-N 293.357 3.740 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCc2ccccc2F)c1 480778600 JARXOGPNBWZXLL-UHFFFAOYSA-N 296.345 3.945 30 20 CHED CCOC(=O)[C@@H](CC)S[C@@H](C#N)Cc1ccc(C)cc1 570041705 FHXGWQDSRBMERB-HUUCEWRRSA-N 291.416 3.505 30 20 CHED C=CCOCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 815090737 LELFDGPDCSYOAL-CQSZACIVSA-N 299.336 3.697 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CCc3ccccc3O2)C1 571608196 UHOPVENSWNNPKO-RBUKOAKNSA-N 299.414 3.585 30 20 CHED C[C@H]1CCC(=NNc2cc(Cl)nc(Cl)c2)C1 819828409 BTRWULKHPZYSOT-ZETCQYMHSA-N 258.152 3.976 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)C(C)(F)F 815899909 HMMRCPFTPHTARR-JQWIXIFHSA-N 288.297 3.702 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1C#N 483778207 QWZXUKXPQCWOGF-BXUZGUMPSA-N 274.339 3.852 30 20 CHED CCC(=NN[C@H](C)c1ccncc1)c1cc(F)ccc1F 819815550 AYBMDGXVZKIDOP-LLVKDONJSA-N 289.329 3.825 30 20 CHED C#Cc1cccc(N(C)C[C@@H](O)c2cc3ccccc3o2)c1 815037686 SGRRMIFQAGYHOA-QGZVFWFLSA-N 291.350 3.584 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813212184 ZDSDEZHMKJMAMZ-HOSYDEDBSA-N 298.308 3.959 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC2CCC1CC2)c1nc2ccccc2[nH]1 815897762 GQKIZBOIIBZQGT-NWINJMCUSA-N 293.370 3.565 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1Cc2ccccc21 811590139 QOXPVQZRFQOSHV-QGZVFWFLSA-N 271.404 3.969 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)c2ccccc21 481684024 LNADBJBOMXYLSI-LLVKDONJSA-N 295.317 3.853 30 20 CHED CCOc1ccc(NN=Cc2cccc(O)c2Cl)cc1 814985049 PLDBFFLDSPTGLO-UHFFFAOYSA-N 290.750 3.890 30 20 CHED Cc1nsc(N2CCCC3(CCCCC3)C2)c1C#N 578254486 YHTSTXSWNRQCHX-UHFFFAOYSA-N 275.421 3.874 30 20 CHED Cc1ccc2sc(C(=O)N[C@]3(C#N)CC3(C)C)cc2c1 484912322 SRKUXXLNRCWQNK-INIZCTEOSA-N 284.384 3.632 30 20 CHED C=CCCN[C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 658116288 IJQRIDLEWAUVOM-LBPRGKRZSA-N 280.799 3.531 30 20 CHED C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccccc1C(C)C 491338314 HUCMSCAKRBXDIG-GJZGRUSLSA-N 286.419 3.529 30 20 CHED C#Cc1cccc(NC(=S)NC[C@@H](C)c2ccccc2)c1 726444528 MMHMBFNNLFOPGK-CQSZACIVSA-N 294.423 3.758 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc2ccccc12 493900433 LZDQPSTVQGVUKP-UHFFFAOYSA-N 279.343 3.773 30 20 CHED C#C[C@H](NCc1scnc1C)c1ccc(Cl)cc1F 491266966 RKIKDVFLKKKSPW-ZDUSSCGKSA-N 294.782 3.708 30 20 CHED CCC(CC)N(Cc1ccc(C#N)c(OC)c1)C1CC1 574989909 RXNKBCQKDDQUPQ-UHFFFAOYSA-N 272.392 3.720 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N(CC)CC(=C)C 574846131 GEVRBIMAJXAYAI-UHFFFAOYSA-N 282.391 3.534 30 20 CHED CC(C)[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)o1 497987717 YTOBNNURZRIZFJ-OAHLLOKOSA-N 294.354 3.769 30 20 CHED C#C[C@H](OC(=O)[C@H]1CSc2ccccc21)c1ccccc1 821613048 USCIRAIVXSMANV-HOTGVXAUSA-N 294.375 3.794 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2ncc(C)s2)C1 660810591 NXKYNWAPNAFQHI-CHWSQXEVSA-N 293.436 3.510 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc3ccn(C)c23)C1 666857211 OVISNKXRLNMXDT-AWEZNQCLSA-N 297.402 3.998 30 20 CHED C=CC[C@H]1CCCN(Cc2nc(C(F)(F)F)cs2)C1 661380671 IINZYSAECYHWAL-JTQLQIEISA-N 290.354 3.950 30 20 CHED CC#CCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 498600723 DUGHBTRMOCKULD-UHFFFAOYSA-N 295.407 3.657 30 20 CHED C=CCC1(c2nc(CCc3ccccc3)no2)CCC1 583031654 NSLIKYAESOKIOE-UHFFFAOYSA-N 268.360 3.853 30 20 CHED C=C(Cl)CNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 828213197 ARFMWLJBVVTWDX-GJZGRUSLSA-N 277.795 3.514 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C=C/c1cnccc1C 492488675 FNLXJCDDGZJTSV-VOTSOKGWSA-N 298.411 3.680 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3cnco3)cc2)C1 839049783 SKQFKRSKEKUPCF-DOMZBBRYSA-N 296.326 3.581 30 20 CHED C[C@H](NN=Cc1ccc(SC(F)F)cc1)C(F)(F)F 834998275 SFFTUNRECCQXRU-ZETCQYMHSA-N 298.280 3.876 30 20 CHED Cc1cccc(C=NNc2nncc3ccccc23)c1C 731149072 HPGTZRFBFJRYLY-UHFFFAOYSA-N 276.343 3.693 30 20 CHED CCCCCCCCCNC(=O)c1ccnc(C2CC2)n1 732657848 WJAYTMDCDKBODI-UHFFFAOYSA-N 289.423 3.834 30 20 CHED CCCCCCC[C@@H](C)NCCc1cnc(C)cn1 835060367 CTAPDGAOYZHAPJ-CQSZACIVSA-N 263.429 3.666 30 20 CHED Cc1cc(N(C)C[C@@H](C)c2ccccc2)cc(C#N)n1 581829811 LOQVECDIAGAKED-CYBMUJFWSA-N 265.360 3.502 30 20 CHED CSC[C@@H](C)COC(=O)C[C@@H](CC#N)c1ccccc1 835682544 MLRKXTBNVZDQSW-DZGCQCFKSA-N 291.416 3.616 30 20 CHED C/C(=C/C(=O)NCC(C)(C)CC#N)c1cccc(Cl)c1 837889384 SRQLFTTUPUTORF-XFXZXTDPSA-N 290.794 3.799 30 20 CHED CC(C)CC(CC(C)C)C(=O)[C@H](C#N)c1ccccn1 835061671 URLSIPCEGWHPNE-OAHLLOKOSA-N 272.392 3.966 30 20 CHED CC(C)N(C)c1ccc(/C=C\C(=O)c2cccc(F)c2)cn1 588578321 GQIQKOLSNJXQQP-CLFYSBASSA-N 298.361 3.961 30 20 CHED CC[C@@](C)(C#N)c1nc([C@H]2CCc3ccccc3C2)no1 589132300 JWKIEXMZSDRKOB-YOEHRIQHSA-N 281.359 3.533 30 20 CHED C1CCC2(CC1)CCCC2=NOC[C@@H]1CCOC1 834971800 AUYJNMVLOUYQSH-CYBMUJFWSA-N 251.370 3.530 30 20 CHED C#CCCOc1ccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)cc1 832834190 JSYVQLCCQQJMBY-QGZVFWFLSA-N 299.414 3.595 30 20 CHED C=CC1CCN(Cn2ccc(-c3ccc(F)cc3)n2)CC1 732181094 KHHVJLOURWVMES-UHFFFAOYSA-N 285.366 3.545 30 20 CHED CCCCCCCCC(=O)Nc1cc(C)c(C)nn1 734325502 KIYAOLZVJMLQOJ-UHFFFAOYSA-N 263.385 3.783 30 20 CHED CC[C@H](C)CCC(=O)N[C@H](C)c1cccc(C#N)c1 586790973 MOCQBVBOHPAOKU-QWHCGFSZSA-N 258.365 3.562 30 20 CHED Cc1cc(NN=C[C@H](C)c2cc(F)cc(F)c2)nc(C)n1 834940270 IUQZAZGIYIXZLG-VIFPVBQESA-N 290.317 3.573 30 20 CHED C=CC(C)(C)COC(=O)c1cccc([C@@H]2CCOC2)c1 835723397 UYCJZJQLLFDXKO-OAHLLOKOSA-N 274.360 3.560 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1cccc(C2CC2)c1 834444842 STDUXTWKJDHFEJ-CMDGGOBGSA-N 266.344 3.502 30 20 CHED Cc1ccccc1OCCNC1(c2cccc(C#N)c2)CC1 839544939 QXZKBSZOVDMVOT-UHFFFAOYSA-N 292.382 3.524 30 20 CHED C=CCCCOC(=O)C1(Cc2ccccc2)CCOCC1 835198217 YYRIWQWDNUSBGP-UHFFFAOYSA-N 288.387 3.535 30 20 CHED C=CCCSCCNC(=O)c1sccc1C(C)C 597972007 NNRUOTGCKSIFMW-UHFFFAOYSA-N 283.462 3.911 30 20 CHED C=CCNC(=S)N[C@H](CC(C)(C)C)c1ccccc1 916000480 DVWITUKURSSVDR-CQSZACIVSA-N 276.449 3.814 30 20 CHED C=CCCSCCNC(=O)N[C@@H](C)c1ccc(C)cc1 595457133 ZQRWQTALURBZAM-AWEZNQCLSA-N 292.448 3.665 30 20 CHED CCSc1ccc(C(=O)/C=C\c2cc(C)n(C)n2)cc1 840714960 AFERTWYGIJKPRS-YFHOEESVSA-N 286.400 3.737 30 20 CHED CC[C@H](C#N)C(=O)NCC1(c2cccs2)CCCCC1 593482675 BOAGMDAWNNIXAO-CYBMUJFWSA-N 290.432 3.616 30 20 CHED CC(C)c1occc1C(=O)Nc1nc(Cl)c(C#N)s1 841224117 UZTRXAISXNRLLI-UHFFFAOYSA-N 295.751 3.637 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](C#N)C(C)C 599411427 HUFNVERBVYBNOU-OAHLLOKOSA-N 282.343 3.533 30 20 CHED Cc1cc(C#N)ccc1NCCC[C@H]1CCCCO1 846751194 AQFRFQDBWHRYLM-OAHLLOKOSA-N 258.365 3.628 30 20 CHED N#CCCCCCC(=O)NCC[C@H]1CCc2ccccc21 590767418 CMOOAQPSOKGDRH-MRXNPFEDSA-N 284.403 3.697 30 20 CHED CC[C@H](C#N)C(=O)NCC1CCC(c2ccccc2)CC1 593454280 HKKUFPVDFSRJSE-ISXOHVOVSA-N 284.403 3.626 30 20 CHED CC(C)[C@@H]1N(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1(C)C 594365206 YIQPZFZRQATQJH-PBHICJAKSA-N 298.430 3.630 30 20 CHED CCC#C[C@@H](C)N(C)Cc1ccc(OC(F)F)cc1 677047338 WLOWYDRXMUUJNO-GFCCVEGCSA-N 267.319 3.522 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1cccc(C#N)c1 748449854 PCGGDXAEPGMTRW-HUUCEWRRSA-N 297.379 3.775 30 20 CHED Cc1cc([C@H](C)/N=C\c2ccc(O)c(O)c2O)c(C)s1 914702139 XETBZRYPGCKORH-JUAVFEPTSA-N 291.372 3.662 30 20 CHED C=CCCC(=NNc1oc(C(C)C)nc1C#N)C1CC1 747753847 OCYDBPDCMKSESO-UHFFFAOYSA-N 272.352 3.814 30 20 CHED Fc1cc(-c2cccs2)ccc1C=NNc1cnccn1 917546389 XLSSQPKKPYOQRZ-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CCC[C@@H](C)CC(=O)OCc1ccc(C#N)cc1C 748921770 JQJSSBZSKREXSJ-GFCCVEGCSA-N 259.349 3.736 30 20 CHED COc1cccc(C2(NCc3cc(C#N)cs3)CCC2)c1 594998283 VMDTWTQUBUYXCD-UHFFFAOYSA-N 298.411 3.797 30 20 CHED C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC[C@H]1C 594005402 JOHLGUXCKBPQCY-BASYENTBSA-N 298.430 3.678 30 20 CHED CCCCCCN(CCOC)Cc1ccc(C#N)cc1 740875585 DPMPHTLUGJLEKK-UHFFFAOYSA-N 274.408 3.587 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CSCCCC 743690111 ZSNSHBZWNXHFFQ-UHFFFAOYSA-N 291.460 3.777 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1ccc(Cl)nc1)C2=O 749000246 WJHCCCZBJSZOJD-JYRVWZFOSA-N 299.757 3.956 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(F)cc1 915962253 KLMYKXSFFXSUBR-UHFFFAOYSA-N 253.280 3.533 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 598523093 ZHRVLHUKJAQPPA-CQSZACIVSA-N 284.403 3.598 30 20 CHED CC1(NC(=O)CC2(C#N)CCCCC2)CCCCC1 596890688 OKWIFDMFSHQMQF-UHFFFAOYSA-N 262.397 3.690 30 20 CHED C[C@@H](CCc1ccccc1)NCCc1ccc(C#N)cc1 594712667 VKVAEIYAOACMJH-INIZCTEOSA-N 278.399 3.712 30 20 CHED N#CC1(CNC(=O)c2cc3cc(Cl)ccc3s2)CC1 597611764 ZWICHWOZOSHYRL-UHFFFAOYSA-N 290.775 3.588 30 20 CHED Fc1cccc(Cl)c1C=NNc1ncccc1Cl 917549663 YOXDCTGLLWHCSV-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C#C[C@H](NC(=O)[C@H]1CCCc2sccc21)c1ccccc1 843643179 PZEFPWBUKOWGIF-HOTGVXAUSA-N 295.407 3.659 30 20 CHED Cc1ccc(C)c(NN=C2C(=O)Nc3c(C)ccc(C)c32)c1 914773366 QRLQVDPBOLEBJN-UHFFFAOYSA-N 293.370 3.689 30 20 CHED CC[C@H](C/N=C\c1c(O)cccc1OC)CC(F)(F)F 840712685 KUNCXRGYOPPAQT-OAOMGELKSA-N 289.297 3.798 30 20 CHED N#Cc1ccc(CCN[C@@H](c2ccccc2)C2CC2)cc1 595056748 VSDZGBSNRLHIFI-IBGZPJMESA-N 276.383 3.842 30 20 CHED C#CCOc1cc(F)ccc1NCc1cccc(COC)c1 742376634 ZYXZFCRTWNJMEA-UHFFFAOYSA-N 299.345 3.596 30 20 CHED CCCC(=NOCCOC)c1ccc(Cl)cc1 748790974 DYQDBAZWJLCPKQ-UHFFFAOYSA-N 255.745 3.507 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597904703 JMQKOVXEDXMBSO-WMZOPIPTSA-N 296.414 3.889 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(C)cc(C(F)(F)F)c1 844644459 KRLFZOBLLKEOHI-VIFPVBQESA-N 288.269 3.641 30 20 CHED C=CCN(C(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 598872450 SXWYCWLBSCEJIY-UHFFFAOYSA-N 276.767 3.638 30 20 CHED COc1cc(OCC2(CC#N)CC2)ccc1Br 596309401 WOPGALPKOFTUBC-UHFFFAOYSA-N 296.164 3.530 30 20 CHED C=C[C@@H](C)ON=C(C)Cc1nc2ccccc2s1 844622206 WXZFTJSBWGUZFA-LLVKDONJSA-N 260.362 3.806 30 20 CHED CC[C@@H](C)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842945238 OWMKGPBSWRSJCD-MWLCHTKSSA-N 262.378 3.633 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1cccc(F)c1)OCC 756474009 VUMJTXUXTXIXGB-DOMZBBRYSA-N 280.339 3.801 30 20 CHED Clc1ccccc1[C@@H]1CCCC1=NN=c1cc[nH]cc1 758128137 WFRDBXJPCSPALM-AWEZNQCLSA-N 285.778 3.893 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1csc(Cl)c1 851207089 SJLHGZZOWHGVGR-QMMMGPOBSA-N 271.769 3.887 30 20 CHED Cc1cc(C=NNc2cccc(C(F)(F)F)n2)c(C)n1C 754950712 TZAVQIWGZJLTGR-UHFFFAOYSA-N 296.296 3.502 30 20 CHED C=CCCCN[C@@H](c1ccccn1)c1ccccc1OC 926324341 UREGHJSHUMHPBB-GOSISDBHSA-N 282.387 3.735 30 20 CHED Clc1ccc(C=NO[C@H]2CCCCO2)c(Cl)c1 755817967 OJHOQZJTHGMWSC-LBPRGKRZSA-N 274.147 3.871 30 20 CHED COc1ccc(CNN=Cc2ccccc2C2CC2)cc1 751130299 HARGIOKRPFFNIY-UHFFFAOYSA-N 280.371 3.696 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)C(C)(C)C#N)cc1C 850907270 XNSPRCKXRPCENZ-CWRNSKLLSA-N 285.387 3.888 30 20 CHED CC1(C)C[C@@H](O)c2cc(-c3cccc(F)c3C#N)ccc2O1 854194538 FUTAAXGOTOXOBY-MRXNPFEDSA-N 297.329 3.959 30 20 CHED CCCCCCCNC(=O)N1CCC([C@H]2CCCO2)CC1 858112635 HFXYLVIEOJEQQU-MRXNPFEDSA-N 296.455 3.557 30 20 CHED C#CCCCCNC(=O)/C=C(/C)c1cccc(Cl)c1 758631911 RGJFEBPFFODZOE-QBFSEMIESA-N 275.779 3.663 30 20 CHED C#CC[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 757597124 KKVXZDXUIOUYJD-MRXNPFEDSA-N 288.350 3.662 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)c1cccc(F)c1)c1ccccc1 757579792 PNBDZUCNIPASGZ-KBXCAEBGSA-N 295.357 3.810 30 20 CHED Cc1cccc(C)c1C=NNc1ncnc2sccc12 755588436 ACWBISZOSJQJFC-UHFFFAOYSA-N 282.372 3.754 30 20 CHED C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1C(C)C 852098189 HDXRSVWMUFJVFQ-RDTXWAMCSA-N 286.419 3.529 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CCCCCCC1 764043386 RLBIFHUXWHHIEO-KRWDZBQOSA-N 284.403 3.552 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2C)s1 763143092 ZHPQFVRCHXOCPI-UHFFFAOYSA-N 260.362 3.820 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1occc1C 767790965 JZRKKAFOZRMPKT-UHFFFAOYSA-N 279.343 3.650 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 766785578 VNNNEZBRLCFVFF-WDEREUQCSA-N 284.277 3.717 30 20 CHED C[C@H](CC(=O)OCc1ccccc1C(C)(C)C#N)C1CC1 768013029 MCOBTGQJWJTRFW-CYBMUJFWSA-N 285.387 3.967 30 20 CHED Cc1ccc(/C=C2/CCc3scnc3C2=O)c(C)c1 863197306 OKIVJRBIHUNHCP-JYRVWZFOSA-N 269.369 3.972 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ncnc2ccsc12 766024947 FELXRUAMSGUIMK-VIFPVBQESA-N 274.393 3.915 30 20 CHED COc1cc(C#N)ccc1COC(=O)CC1CCCCC1 766864751 YTLSQOJZBDTMOE-UHFFFAOYSA-N 287.359 3.580 30 20 CHED CCC(=NOCC(F)(F)F)c1cc(C)ccc1C 863102895 AHJYXNLWBNNVEW-UHFFFAOYSA-N 259.271 3.996 30 20 CHED O=C(C#Cc1ccccc1)N1CCCC[C@@H]1c1ccccc1 762523673 MBUBGZUPIPWRPU-LJQANCHMSA-N 289.378 3.792 30 20 CHED CC[C@@H](C(=O)[C@@H](C#N)c1ccncn1)C1CCC(C)CC1 764809722 HATGZXPKKXEDGR-CVSAEHQPSA-N 285.391 3.505 30 20 CHED Cc1cc(C=C2C(=O)c3ccccc3C2=O)cnc1Cl 760263812 IQDMINRBWGQOAW-UHFFFAOYSA-N 283.714 3.506 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1cnc(C)s1 761258018 DIEPJQREDUADBC-UHFFFAOYSA-N 290.348 3.504 30 20 CHED Cc1ccnc(NN=Cc2sccc2Br)c1 764909909 ZKUUVPATISHOOT-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CCC(CC)NN=Cc1c(C)nc2scc(C3CC3)n12 764691565 BXHHFACLBPAMHK-UHFFFAOYSA-N 290.436 3.694 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccsc1 764434089 WKSHDRPIRLZAER-IHWYPQMZSA-N 250.344 3.714 30 20 CHED COc1ccc(C=NNc2nc3ccccc3s2)s1 763104002 IFKZYSLMYYRPGZ-UHFFFAOYSA-N 289.385 3.812 30 20 CHED COc1cc(C(=O)O)ccc1NN=C[C@@H]1CCC[C@@H](C)C1 768367351 PEUCGDYWYLGDQM-VXGBXAGGSA-N 290.363 3.617 30 20 CHED N#CCc1cccc(N2CCC[C@H]2c2cccc(F)c2)n1 1116662471 YLPGRHYJYAFQCS-INIZCTEOSA-N 281.334 3.628 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N(CC#N)c1ccccn1 1119479394 BLGWLOJYMYPSNX-AWEZNQCLSA-N 285.391 3.545 30 20 CHED CCCCCCCNC(=O)Nc1c(C)cnn1CC1CC1 1118912076 PDFMMTQZLRFXIR-UHFFFAOYSA-N 292.427 3.693 30 20 CHED CC1(C#N)CCN(Cc2ccc(OC(F)F)cc2F)CC1 877181580 DPMVNBRIBRVHGU-UHFFFAOYSA-N 298.308 3.553 30 20 CHED CC(=NOCCC(F)(F)F)c1ccccc1OC(F)F 777459753 LFXJPZDQQBLVTF-UHFFFAOYSA-N 297.223 3.981 30 20 CHED C[C@H](C#N)COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 770931194 SNQPWDBWXDKTTK-CSMYWGQOSA-N 279.339 3.646 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccc(F)c(C#N)c1 770571733 WCWSSDYDLIDEJM-VMPITWQZSA-N 295.313 3.911 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NOC1CCOCC1 774456839 HKBJVZNJWFFDIS-TZMCWYRMSA-N 253.386 3.630 30 20 CHED C=C(C)CN(C)Cn1nc(-c2ccccc2C)oc1=S 777960712 LGIOJBRVJWMYGS-UHFFFAOYSA-N 289.404 3.646 30 20 CHED C#CCCCCCC(=O)N(C)c1ccc(SC)cc1 779934706 CYQVVCJFOCTTEZ-UHFFFAOYSA-N 275.417 3.955 30 20 CHED CCOCCON=Cc1ccccc1OCc1ccccc1 774422219 JSIIZRZOCXZHOF-UHFFFAOYSA-N 299.370 3.653 30 20 CHED Fc1cc(Cl)cc(C=NOCCC(F)(F)F)c1 777455891 NWWRKGCDXNWLRU-UHFFFAOYSA-N 269.625 3.782 30 20 CHED C=CCN(C(=O)c1cc2c(Cl)cncc2s1)C(C)C 888114169 BFFKOXHXSJIJAC-UHFFFAOYSA-N 294.807 3.986 30 20 CHED CC(C)(C)CCNN=Cc1cnc(-c2ccco2)s1 782268359 LJKJVJJNCWRZAW-UHFFFAOYSA-N 277.393 3.763 30 20 CHED CC(C)(C#N)CC(=O)OCC(=O)c1cccc2ccccc12 785079366 XJPHPWCKAOVFDH-UHFFFAOYSA-N 295.338 3.506 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1ccccc1C 782535715 UQXQRSKWMYXRHY-PBHICJAKSA-N 276.376 3.828 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(OC)c1 1123364171 DKTFOGJABGAQKM-AWEZNQCLSA-N 274.364 3.658 30 20 CHED Cc1cc(-c2ccccc2)ccc1NC(=O)NCCC#N 785676460 ULBVLGFRSPHOPQ-UHFFFAOYSA-N 279.343 3.697 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Br)c(C)n1 410539588 ODDBIWKBWFCSQF-UHFFFAOYSA-N 297.196 3.693 30 20 CHED Cn1cc(C=NNCc2ccccc2)c(C2CCCCC2)n1 783813933 WHPJENBGRJBADR-UHFFFAOYSA-N 296.418 3.592 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1ccnc(Cl)c1 782195339 WHOAABKEPIGMJL-SNAWJCMRSA-N 279.673 3.909 30 20 CHED C#CCC1(C(=O)OCc2ccc(C#N)cc2F)CCCCC1 788214239 VTSXARVEQAGSIP-UHFFFAOYSA-N 299.345 3.714 30 20 CHED CSC1(c2noc(C[C@H](CC#N)c3ccccc3)n2)CC1 896780566 GCYABSINUXHXNU-ZDUSSCGKSA-N 299.399 3.662 30 20 CHED C=C1CCN(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CC1 893395255 MVNFTWCPVROSKJ-CABCVRRESA-N 272.392 3.540 30 20 CHED COc1ccc(CNN=Cc2sccc2Cl)cc1 782204499 BCIGWQCGKPBTBH-UHFFFAOYSA-N 280.780 3.534 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@H]2CCC=CO2)c1 780621766 GQYQVYLQVQJSHD-LLVKDONJSA-N 282.265 3.682 30 20 CHED Cc1c(Cl)cnc(N[C@@H](c2ccncc2)C2CC2)c1C#N 897423833 QSWMPHPNRPENIV-OAHLLOKOSA-N 298.777 3.873 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1cc2ccccc2o1 785033323 XSBCRJCHPNDHBV-NSHDSACASA-N 271.316 3.977 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccccc1OCC 785768950 MSSJALWTFVLFBX-MRXNPFEDSA-N 262.349 3.731 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1nsc2ccccc12 892731052 SOSXQYJFYZUFGM-HNNXBMFYSA-N 274.389 3.861 30 20 CHED Cc1ccc(C)c(OCC(=O)OCCCC(C)(C)C#N)c1 782600856 LLFPBKZESBDWAS-UHFFFAOYSA-N 289.375 3.555 30 20 CHED Cc1cccc(F)c1NC(=O)[C@@H](C#N)CCc1ccccc1 1137877639 VAYQOBYDADMIGR-OAHLLOKOSA-N 296.345 3.845 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 593408714 RYOPRDAXJHFMPM-HIFRSBDPSA-N 272.392 3.830 30 20 CHED C[C@@H](c1ccccc1)N1CCN(CC(C)(C)CCC#N)CC1 895550195 BKMSSUSQRDTYBE-KRWDZBQOSA-N 299.462 3.695 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(=C)CC1 895381553 XXAWMXFZCIDTQN-QGZVFWFLSA-N 284.403 3.535 30 20 CHED CCc1ccc(NC(=O)Nc2ccc(OC)c(C#N)c2)cc1 1202940597 ODGKRXAANOZLJE-UHFFFAOYSA-N 295.342 3.773 30 20 CHED CCCNc1ccc(C#N)cc1NCc1ccccc1C#N 795266014 FRGMRNRWLKYVJF-UHFFFAOYSA-N 290.370 3.864 30 20 CHED CC(CCCC(F)(F)F)=NNc1ncccc1F 794993644 NJFXXFKEHJZPIP-UHFFFAOYSA-N 263.238 3.741 30 20 CHED COc1cccc(/C=C2\Oc3cc(F)ccc3C2=O)c1F 799891555 GLMGVFXIEOYBEN-AUWJEWJLSA-N 288.249 3.590 30 20 CHED CC1(C#N)CN(C(=O)C=C2CCC(C(C)(C)C)CC2)C1 797760926 GFCCRCBSAXXPBP-UHFFFAOYSA-N 274.408 3.521 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)C[C@H](C)C1(F)F 599514768 ZQYYEFFROPULGF-RYUDHWBXSA-N 258.356 3.539 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)oc1C 799897560 QMSOGDYSPQPHKJ-XQRVVYSFSA-N 289.262 3.840 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1C#N 799550575 GNILTWJKXCNQFQ-ZDUSSCGKSA-N 290.322 3.656 30 20 CHED CC1(C)C(=NNc2cccc(F)n2)C[C@H]1Oc1ccccc1 795007072 YGOVMBNAOCZRBP-CQSZACIVSA-N 299.349 3.866 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](OC1CCCC1)c1ccccc1 791200415 WEQAQBLMIPFVDF-FUHWJXTLSA-N 299.414 3.605 30 20 CHED C=CCCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F 793167893 NEPPSBZAPIULGK-UHFFFAOYSA-N 286.341 3.779 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(F)c1 686496223 IDXJTVOVLNRNGH-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C#CCCCNC(=O)c1cc(C(F)(F)F)ccc1Cl 695013097 CBGZKYXNGXBZQG-UHFFFAOYSA-N 289.684 3.502 30 20 CHED N#Cc1nc(N[C@@H]2CCc3ccc(F)cc32)sc1Cl 1306962496 HNYSZDOFDZDFGF-SNVBAGLBSA-N 293.754 3.907 30 20 CHED N#Cc1cncnc1Oc1ccc2c(c1)[nH]c1ccccc12 1306908514 JBHJSMDDYTYKTR-UHFFFAOYSA-N 286.294 3.775 30 20 CHED Cc1cc(C)c2c(c1)CCN([C@@H](C#N)c1ccccc1)C2 1308173168 FNRXTEPCVKWPLA-IBGZPJMESA-N 276.383 3.926 30 20 CHED CCC1(CC)CN(c2cc(C#N)nc(C)n2)c2ccccc21 1307071606 LHRHFQKRBXBROW-UHFFFAOYSA-N 292.386 3.866 30 20 CHED CCO[C@H]1C[C@H](N(C)CC2(CC#N)CC2)C1(CC)CC 1167820274 SBIQOTYOHIYNSF-GJZGRUSLSA-N 278.440 3.596 30 20 CHED CC(C)[C@H](CO)[C@H](NCCC1(C#N)CCCCC1)C(C)C 1170443246 NSZSTEDLBXFEQT-DLBZAZTESA-N 294.483 3.729 30 20 CHED COc1ccc2c(c1)N(Cc1cccc(C#N)c1)CCCC2 1171399703 MHOKROHVEMEKMG-UHFFFAOYSA-N 292.382 3.910 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(N)cc2Cl)c1 1324144031 XXFWHQXSNOPKQP-UHFFFAOYSA-N 277.730 3.816 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)c2ccc(F)cc2F)c1 1323161608 CFZUYGGZRLUPBG-LLVKDONJSA-N 285.293 3.688 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1ccc(F)cc1F 1321281435 NVWJMWWXQSBWAP-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1ccc(CSCCOc2ccc(C#N)cc2)cn1 1326876713 KZMMTYXBUZGUGE-UHFFFAOYSA-N 284.384 3.574 30 20 CHED CCCCN(C(=O)c1cccc(C#N)c1C)c1ccccn1 1330561394 VPUZUUCXZIGUAT-UHFFFAOYSA-N 293.370 3.709 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C(=O)c1ccc(Cl)s1 1336217159 KHWJAPHLKKXIOH-SNVBAGLBSA-N 297.807 3.541 30 20 CHED CN(Cc1ccccc1Cl)C(=O)CC#Cc1ccccc1 1332889354 QMTMVWKDALVGHM-UHFFFAOYSA-N 297.785 3.740 30 20 CHED C[C@@H](C(=O)N(c1ccccc1C#N)C1CCC1)C1CCC1 1333635377 PZQIUKGEQOPQKU-CYBMUJFWSA-N 282.387 3.880 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)COc1ccccc1F 1332382928 CRBQBLJRBVTBFI-QWHCGFSZSA-N 278.371 3.511 30 20 CHED C[C@@]1(CNc2cc(C#N)cc(Cl)n2)CC1(Cl)Cl 1348196027 SCODORPGLVQFIE-JTQLQIEISA-N 290.581 3.602 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(Cl)c(F)c1 1261360275 GEGLTRYNKIEZLV-UWVGGRQHSA-N 254.736 3.822 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC 1262655785 YTPVEMDQESDLSP-HYVNUMGLSA-N 299.414 3.756 30 20 CHED C=CCOc1ccc(CNCc2cccn2C2CC2)cc1 1344070454 SMMRETQVDBTPND-UHFFFAOYSA-N 282.387 3.678 30 20 CHED CCC(CC)CN(CC)C(=O)c1cc(C#N)ccc1C 1356465371 PJLGMBRSOJBCEZ-UHFFFAOYSA-N 272.392 3.765 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2F)C1 1435089430 UOIVKJJNXDXWDR-UONOGXRCSA-N 288.366 3.642 30 20 CHED C=C(C)CN(C)Cc1ccc(-c2ccc(C(=O)O)cc2)o1 1602760716 FXJWXFRPSUBPBX-UHFFFAOYSA-N 285.343 3.653 30 20 CHED CCn1cc(Cl)cc1C(=O)Nc1scc(C)c1C#N 1525498096 MVZLMLBRKSKWFL-UHFFFAOYSA-N 293.779 3.655 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)cc1F)C[C@H](C)O2 1462048894 JYWRJERRJGSVRH-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCC(=O)c2cccs2)c1 1468964708 PYHSDAYXCOVNSJ-UHFFFAOYSA-N 298.367 3.530 30 20 CHED Cc1sccc1NC(=O)[C@@H](CC#N)c1ccccc1 1544229310 RQOYLOLVRQFUSA-ZDUSSCGKSA-N 270.357 3.693 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1cccc(C#N)c1F 1618203946 WIQBSBOXGAXZSJ-UHFFFAOYSA-N 291.329 3.522 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(F)c(C#N)c(F)c1 1625863957 SEMXZHKGXVCYMM-HWPZZCPQSA-N 292.329 3.535 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)N[C@H](C)CC#N)c21 1627603518 TVYCBUPRCKJPDQ-NWDGAFQWSA-N 285.391 3.895 30 20 CHED CCC1(C)CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1626216286 RREGDUGNBNYAGI-KRWDZBQOSA-N 298.430 3.798 30 20 CHED CCC[C@@]1(C)CCCN(Cc2ccc(C#N)c(OC)c2)C1 1560687823 QEYUQEPGYWKRPJ-SFHVURJKSA-N 286.419 3.969 30 20 CHED N#Cc1ccc(F)cc1COc1ccc(Cl)cc1C=O 229949812 IHBDJOTVGRCDEH-UHFFFAOYSA-N 289.693 3.742 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C)c1ccccc1 1564052495 SWZJMHMACIDLAW-GRDNDAEWSA-N 286.419 3.824 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@H](C2CCCCC2)C1 1647131066 XTPRJTBLVDXUER-KRWDZBQOSA-N 298.430 3.969 30 20 CHED N#Cc1ccccc1SCCN1CCc2ccccc21 1656291713 OXOLCSDSEUUVEZ-UHFFFAOYSA-N 280.396 3.713 30 20 CHED CCc1cc(N(C)[C@H](C)c2cccc(C#N)c2)nc(CC)n1 1655596068 RORHONMABCPAIC-CYBMUJFWSA-N 294.402 3.670 30 20 CHED C=C(C)CCSc1cccc(Cl)c1-c1nn[nH]n1 1588424909 QBSMHESAUVZXKK-UHFFFAOYSA-N 280.784 3.578 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)Cc2ccccc2C)c1 1597280647 GAJXHYWEXCEIBF-OAHLLOKOSA-N 292.382 3.992 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@H]2CCC[C@@H]21 1760366201 SQXGRIDJOAPSJN-OLZOCXBDSA-N 294.830 3.533 30 20 CHED COc1cc(C)ccc1NCc1ccc(F)c(C#N)c1 124174569 GSHKWNPTEUBNAF-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)c(F)c1 1670704439 HARMMIHEZJMSSM-YPMHNXCESA-N 289.354 3.645 30 20 CHED C=CCN(CC=C)C(=S)Nc1ccccc1Cl 13824127 RIEXROGRZLYDAW-UHFFFAOYSA-N 266.797 3.711 30 20 CHED C=CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 161858511 JSJKVFLRFITXMN-WDEREUQCSA-N 284.186 3.741 30 20 CHED CC(C)Sc1ccccc1NC(=O)N[C@H](C)CC#N 162868992 UGLHFCUVPWCZLK-LLVKDONJSA-N 277.393 3.611 30 20 CHED C=CCCSCC(=O)N(C)[C@H](C)c1ccccc1 151988688 NGFFLPFCWZCSLV-CYBMUJFWSA-N 263.406 3.515 30 20 CHED C=C(C)CSCC(=O)N(C)[C@H](C)c1ccccc1OC 155057242 GXXKPMGQXXBXCW-CYBMUJFWSA-N 293.432 3.524 30 20 CHED C=C(C)CNC(=O)Nc1cc(C(F)(F)F)ccc1C 157533673 DNFUXGZVMQMVSV-UHFFFAOYSA-N 272.270 3.711 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccccc2)cc1 154455383 VINRGKBYWBSABD-HNNXBMFYSA-N 280.371 3.609 30 20 CHED CCC[C@@H](C(=O)N(CC)c1ccc(C#N)cc1)C(C)C 159358891 ZWLHJHYYYJGLRK-MRXNPFEDSA-N 272.392 3.983 30 20 CHED CCSc1ccc(CNc2nc(C)ccc2C#N)cc1 1164002721 VEEAWBGMQKVTOA-UHFFFAOYSA-N 283.400 3.986 30 20 CHED CC(C)N(CCC#N)Cc1ccc(C(F)(F)F)cc1 42248393 KVOLUDXYESVSSG-UHFFFAOYSA-N 270.298 3.829 30 20 CHED COc1cc(C#N)ccc1COc1cccc(Cl)c1 260864311 WQENHJXSWVPGRT-UHFFFAOYSA-N 273.719 3.799 30 20 CHED COc1ccc(O)c(CNc2ccc(C#N)c(Cl)c2)c1 37393133 WZRWJXRHRRYGAH-UHFFFAOYSA-N 288.734 3.538 30 20 CHED Cc1nc(CN(C)Cc2ccc(C#N)cc2Cl)cs1 162894729 ZUQRXAWVEZKHBF-UHFFFAOYSA-N 291.807 3.609 30 20 CHED C=C(C)COCCN[C@H]1CCCC[C@H]1c1ccccc1 163516571 RBELZJPGJUJTTC-ROUUACIJSA-N 273.420 3.895 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCc1ccc(C)cn1 658030979 IGVPRSPFGSMXGO-NVXWUHKLSA-N 258.409 3.657 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1nc(Cl)ccc1Cl 179783612 GSNZJAHBQIWELG-SECBINFHSA-N 287.190 3.863 30 20 CHED CC1(C)[C@@H]2CN(c3ccc(C(F)(F)F)cc3C#N)C[C@H]21 301625183 GELURYGFVRXZGK-VXGBXAGGSA-N 280.293 3.669 30 20 CHED Cc1cc(N[C@H](C)c2cc(C)oc2C)cc(C#N)n1 308282076 WROUIDVQGQYYHR-LLVKDONJSA-N 255.321 3.645 30 20 CHED N#Cc1cc(F)cc(OCc2nc3ccccc3s2)c1 313672356 NQZMKIUQFGMFKK-UHFFFAOYSA-N 284.315 3.886 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 439554464 VMHURRUAUNDFRP-GHMZBOCLSA-N 283.297 3.734 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CCC(F)(F)C2)ccc1Cl 336088140 YSTSYEGLRVXBRH-MRVPVSSYSA-N 284.693 3.586 30 20 CHED C=CCCOCCN[C@@H](C)c1cccc(C(F)(F)F)c1 90883842 IWUZODMMUHXZOJ-LBPRGKRZSA-N 287.325 3.949 30 20 CHED CC(C)C(C)(C)Nc1nc(C(F)(F)F)ccc1C#N 576470978 XCLOBHLODYEYDP-UHFFFAOYSA-N 271.286 3.819 30 20 CHED COc1cc(F)cc(N[C@H](C)CC(C)(C)C#N)c1 709984638 ZBCTZDRHCUDMCJ-SNVBAGLBSA-N 250.317 3.575 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(OC)c(OC)c1 595057730 DFCHPLPYIGSTKU-ZDUSSCGKSA-N 295.448 3.664 30 20 CHED CCCCCCC[C@@H](C)NCc1cccnc1O 714953698 KGFOENZCRPMGPV-CYBMUJFWSA-N 250.386 3.626 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(OC)cc1OC 384918964 GAAINKBMZARCDP-LBPRGKRZSA-N 263.381 3.567 30 20 CHED N#Cc1ccc(OC[C@H]2CCCC(F)(F)C2)c(F)c1 386548773 KGCHKVZGPNXCGE-NSHDSACASA-N 269.266 3.902 30 20 CHED C=CCN(CC=C)c1ncnc2sc3c(c12)CCCC3 1965582 NGQYVTCPQJCVMC-UHFFFAOYSA-N 285.416 3.749 30 20 CHED C=CCN(C(=O)CCc1ccccc1)c1ccccc1 58505087 DKAAOIIYHFWQBV-UHFFFAOYSA-N 265.356 3.838 30 20 CHED CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccncc1 174436437 SCDDSCXKIYHYPY-KSSFIOAISA-N 295.386 3.613 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(C#N)cc1 56515868 FQNZHDAXDCEIMQ-KRWDZBQOSA-N 291.354 3.676 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)ccc1F 103636046 FXVBVEWHMDZPLN-LBPRGKRZSA-N 293.301 3.501 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(C#N)cc2)C1 174309010 SRXDNJHVKNTKMR-CHWSQXEVSA-N 271.364 3.601 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)C[C@@H](C)C1 178626929 MKAOOEDENNWCIP-CHWSQXEVSA-N 285.391 3.767 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CCC(C)(C)C1 348540708 JKOXXFKADGEPQD-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2ccco2)cc1 118947916 WHTBDJSGYUINHU-CMDGGOBGSA-N 278.311 3.874 30 20 CHED N#CCC[C@H](C#N)CN[C@H](c1ccccc1)C1CCC1 119884702 SKXTVXJMQOLVDK-RHSMWYFYSA-N 267.376 3.561 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccnn1Cc1ccc(C)o1 177110456 SQRWUQFEKBXATA-UHFFFAOYSA-N 299.374 3.540 30 20 CHED CCCCCSc1cc(C#N)ccc1[N+](=O)[O-] 302207572 KYRYTEMYUQOWQD-UHFFFAOYSA-N 250.323 3.749 30 20 CHED Cc1ccccc1[C@@H](O)C/N=C/c1cc(Cl)ccc1O 304066849 UETCRYOUCAGMPE-ZJTXRKTBSA-N 289.762 3.507 30 20 CHED C=CC1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 111693121 DNKCIUBDNIQQMR-CYBMUJFWSA-N 283.375 3.696 30 20 CHED CC(=O)Nc1cccc(CSCc2cccc(C#N)c2)c1 171479492 GZJOXAXUVURMGU-UHFFFAOYSA-N 296.395 3.950 30 20 CHED CCCC[C@@H](COC)Nc1ccc2cc(C#N)ccc2n1 301957095 ADRKLXLBAXYUQF-HNNXBMFYSA-N 283.375 3.724 30 20 CHED C=C(C)COc1cc(CNCC2CCCC2)ccc1OC 60949205 SOXAXUKKCQEEJL-UHFFFAOYSA-N 289.419 3.930 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(Oc2ccncc2)c1 112629058 GQCBXDHXFMIVTQ-UHFFFAOYSA-N 296.370 3.912 30 20 CHED COc1ccc([C@H]2CCN(Cc3ccc(C#N)s3)C2)cc1 127291415 LMTQXCOSBQNIHK-AWEZNQCLSA-N 298.411 3.618 30 20 CHED COc1cc(C#N)ccc1Oc1cc(C)nc(C(C)C)n1 301089023 REBMRTSAXUBGNW-UHFFFAOYSA-N 283.331 3.581 30 20 CHED C=C(Cl)CNCc1cnc(C2CCCC2)s1 124295322 WLXKPSFANZYDMX-UHFFFAOYSA-N 256.802 3.643 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)C1CCC1 128054453 ZQUAVNDUNMRILS-CQSZACIVSA-N 272.392 3.573 30 20 CHED CC[C@@H](NCc1ccccc1C#N)c1ccc(OC)cc1 180772614 VHMIKYODEUIDDF-GOSISDBHSA-N 280.371 3.808 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cnn(C)c2C)c1 187650497 WXXQGXAOAUFLBO-MDZDMXLPSA-N 268.360 3.577 30 20 CHED C[C@@H](Nc1c(C#N)nnc2ccccc12)c1ccc(C#N)cc1 76324105 VQVQZEGKROYYGT-GFCCVEGCSA-N 299.337 3.546 30 20 CHED CCC(=O)c1ccc(OCc2ccc(F)cc2C#N)cc1 77564871 LKHPXPFPVCGGEG-UHFFFAOYSA-N 283.302 3.869 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(OCCC(C)C)cc1 127485421 HRQWQOYCWFEPJW-KRWDZBQOSA-N 288.391 3.534 30 20 CHED C=C(C)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 509392885 MELONCMYTPHKPX-UHFFFAOYSA-N 260.337 3.525 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1 189384283 GMXMZAIFHSYEDG-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=CCn1nnnc1S[C@H](C)c1ccc2ccccc2c1 505895529 XZWCUZQOUDFRHP-GFCCVEGCSA-N 296.399 3.866 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCC(C)(C)C 121782851 FOMUBBWDBOKOTN-UHFFFAOYSA-N 252.402 3.791 30 20 CHED N#Cc1ccc(CN2CCC(c3ccsc3)CC2)cc1 186936412 WVVPCBKJUKSEIT-UHFFFAOYSA-N 282.412 3.999 30 20 CHED CSCCCCCNCc1ccc(O[C@@H](C)C#N)cc1 185161022 APTXECXNYNVEHF-AWEZNQCLSA-N 292.448 3.600 30 20 CHED CN(Cc1ccc(C#N)cc1)CC1(c2ccccc2)CC1 189291755 HYRIPDVFJSWFJI-UHFFFAOYSA-N 276.383 3.722 30 20 CHED CCc1cc(C(=O)N(CC#N)c2ccccc2)sc1C 72680113 AYFKOHVMFQDNKH-UHFFFAOYSA-N 284.384 3.789 30 20 CHED CCCN(CC#N)Cc1csc(-c2ccccc2F)n1 77375708 CITDADYFALDCED-UHFFFAOYSA-N 289.379 3.685 30 20 CHED C=C(C)CN(C)C(=O)c1sc2cc(F)ccc2c1C 503854549 AYYZVOPSENFKMC-UHFFFAOYSA-N 277.364 3.997 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](CC)c1ccccc1 189945536 ZKOTVEBEKJEPSK-YOEHRIQHSA-N 259.393 3.899 30 20 CHED C=CCCCC(=O)N(CC)[C@H](C)Cc1ccsc1 186337189 FPJBBAGTVPNAHB-CYBMUJFWSA-N 265.422 3.884 30 20 CHED CC[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)[C@@H]1CC1(C)C 416087194 XODGVZMBHCFRMA-HOTGVXAUSA-N 296.414 3.531 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)c(-c2ncco2)c1 186050309 YVNATAKHVBUJPI-UHFFFAOYSA-N 282.343 3.782 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(Cl)cc1 125623842 JAZVJFNIJBCFAV-LBPRGKRZSA-N 253.773 3.583 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(Br)c(F)c1 129788443 RLKFMYGRVNBJJR-QMMMGPOBSA-N 292.579 3.991 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@H](C)[C@H]1C)c1ccccc1 188435592 KKHKCYSMMHLVEU-FMKPAKJESA-N 257.377 3.603 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](CC)c1ccccc1 413651324 XRKTWDHKFZQDIL-HOTGVXAUSA-N 272.392 3.888 30 20 CHED CCOCc1ccccc1C/N=C/c1ccccc1O 75691819 YVYCHCJEGSLCPV-LDADJPATSA-N 269.344 3.548 30 20 CHED C=CCC[C@@H](NCC[C@H]1CCCN(C)C1)c1ccco1 414178006 JPHPGVMAMJSREY-HZPDHXFCSA-N 276.424 3.608 30 20 CHED CCn1nc(CNc2ccc(F)c(C#N)c2)c2ccccc21 316520009 ZBLUBBIYCKPEGZ-UHFFFAOYSA-N 294.333 3.679 30 20 CHED C=CC[C@H](C(=O)NC[C@@]1(C)CCCS1)c1ccccc1 188543843 IZJSRYNHJNSAGE-DOTOQJQBSA-N 289.444 3.748 30 20 CHED CCOC(C)(C)C/N=C/c1cc(Cl)cc(Cl)c1O 186945128 AEEUQIDHSDAMSS-FRKPEAEDSA-N 290.190 3.933 30 20 CHED C[C@@H](C#N)CNc1ccnc2c(Br)cccc12 181125969 JQRWZTJTHFJTCE-VIFPVBQESA-N 290.164 3.569 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2ncc(C#N)cc2F)C1 413145627 RUISCUYFIFASDI-SFHVURJKSA-N 295.361 3.650 30 20 CHED COc1ccccc1CCCSc1ccc(C#N)cn1 502873701 ZZSMBTBDNIICKE-UHFFFAOYSA-N 284.384 3.687 30 20 CHED CC(C)[C@@H](CNc1ncccc1C#N)Nc1ccccc1 42678022 VSIBJAAZZQNJGW-MRXNPFEDSA-N 280.375 3.502 30 20 CHED CCc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 82271802 QLYNEOFRMSWCFT-UHFFFAOYSA-N 268.291 3.512 30 20 CHED CC[C@@H](C#N)OC(=O)C[C@@H](c1ccccc1)C(C)C 84697869 VHQYEWWLKVNOLQ-LSDHHAIUSA-N 259.349 3.662 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cc(Br)ccc1O 134931780 UHKZXDHRMVBJCX-VHSXEESVSA-N 284.197 3.770 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2ccc(C#N)cc2)cc1 45247201 BUEFDQCVTPRMTA-AWEZNQCLSA-N 278.355 3.700 30 20 CHED N#CC1CCN(/C(O)=N/[C@@H]2CCCCC23CCCC3)CC1 329636242 UZYOXGLZVCSQST-OAHLLOKOSA-N 289.423 3.639 30 20 CHED C=CCOCCS[C@H](C)c1cc(F)ccc1F 419401076 OAOLYDCHAMEKOV-SNVBAGLBSA-N 258.333 3.962 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2nccn2C)c1 190760544 UXXQMPXZFYCNEX-QGZVFWFLSA-N 283.375 3.628 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(CCC)on1 412843640 SKSRZJBPYOXUCE-HNNXBMFYSA-N 298.386 3.544 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)CC(C)C 506643880 WOUGJBJVRALUEI-LBPRGKRZSA-N 289.379 3.513 30 20 CHED CCCCCCC[S@](=O)Cc1cccc(NC(C)=O)c1 133184897 XRMUYJSFMUBSQC-HXUWFJFHSA-N 295.448 3.864 30 20 CHED CN(Cc1cc(F)ccc1C#N)C1CCC(F)(F)CC1 287048273 UCVUJYOFKMYLRC-UHFFFAOYSA-N 282.309 3.707 30 20 CHED OC(=Nc1cccc(-c2ncco2)c1)N1CCC12CCC2 328719411 GGLWJTHGTLFWFM-UHFFFAOYSA-N 283.331 3.516 30 20 CHED N#Cc1c(F)cccc1Cn1ccc2c([N+](=O)[O-])cccc21 427534762 RKFQTBBOAFVXGI-UHFFFAOYSA-N 295.273 3.609 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1cc(F)ccc1OC 135720484 FQRMXFSWNVZBKG-RYUDHWBXSA-N 251.345 3.840 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2cc(C#N)n(C)c2)C1 191386086 WMGBBYWQEVONNS-NVXWUHKLSA-N 293.414 3.583 30 20 CHED C=C(C)CNC(=O)Nc1ccc(OC2CCCC2)c(F)c1 429321935 ZZZSHONCAHRWOS-UHFFFAOYSA-N 292.354 3.845 30 20 CHED C=C(Br)CN[C@H](c1ccccc1C)C1CC1 131961040 CRJXLVKQFJQSCB-AWEZNQCLSA-N 280.209 3.944 30 20 CHED C[C@H](C#N)CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 45851780 NBSPGUFENSTZQK-OAHLLOKOSA-N 292.382 3.514 30 20 CHED CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)NCCC#N 426415148 CDRZYURNBFIODT-INIZCTEOSA-N 299.418 3.691 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc(Cl)cc1 264198296 DGCLLHUZWUHZRW-UHFFFAOYSA-N 278.783 3.742 30 20 CHED C[C@@H](CNCc1ccc(C#N)s1)c1cc(F)cc(F)c1 421352767 RNEVPEWCKAAORC-JTQLQIEISA-N 292.354 3.791 30 20 CHED C[C@H](Cc1ccc(F)cc1Cl)NCC1(CC#N)CC1 421854800 MEYRKHNXPDXSLQ-LLVKDONJSA-N 280.774 3.694 30 20 CHED CC(C)(C)CCCCNC(=O)c1cc(C#N)cs1 84108043 ZAORBTHXOXEQHB-UHFFFAOYSA-N 264.394 3.566 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc3scnc3c2)C1 193355840 VHFYBEJZQNFHSW-WDEREUQCSA-N 257.362 3.791 30 20 CHED Cc1nc(C)c(CN(C)[C@H](C)c2cccc(C#N)c2)s1 425363651 CIWXGHLHTYUDAG-GFCCVEGCSA-N 285.416 3.825 30 20 CHED N#Cc1ccccc1CN(Cc1cccc(O)c1)CC1CC1 195131360 YKYQCAHIKRKUDN-UHFFFAOYSA-N 292.382 3.676 30 20 CHED CC(F)(F)c1ccc(-c2noc(C(C)(C)C#N)n2)cc1 336444053 GRUUYVAFTWUEHM-UHFFFAOYSA-N 277.274 3.649 30 20 CHED Cc1coc2ccc(N=C(O)c3cn(C(C)(C)C)nn3)cc12 330082651 HEAGSAOXXWOCFY-UHFFFAOYSA-N 298.346 3.724 30 20 CHED CN(CC(C)(C)CCC#N)C1CC(OC(C)(C)C)C1 421372038 LSJKSZRMIBLWPI-UHFFFAOYSA-N 266.429 3.594 30 20 CHED C=CCN(C)C(=O)CCC(=O)c1ccc(CCCC)cc1 427955674 XVLCHTBWBNZRDU-UHFFFAOYSA-N 287.403 3.637 30 20 CHED O=C(/C=C/c1ccccc1OC(F)(F)F)c1ccncc1 193747726 PIVHQMFHWDSMTR-AATRIKPKSA-N 293.244 3.876 30 20 CHED CCCc1nc(/C(O)=N/C2(C)CCCCC2)co1 330408475 HTLPVFPINXITAC-UHFFFAOYSA-N 250.342 3.655 30 20 CHED Cc1ccc(/C=C2/COc3ccccc3C2=O)s1 96767386 VUMYKYZVRTYLHT-FLIBITNWSA-N 256.326 3.715 30 20 CHED N#CC1(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)CC1 337377465 ASOXLTRDZNJRHI-IAGOWNOFSA-N 264.372 3.610 30 20 CHED Cc1cc(N2CC[C@H](c3ccccc3C)C2)c(C#N)cn1 425232840 XJNOVJHSLDOSHO-HNNXBMFYSA-N 277.371 3.564 30 20 CHED CCCC[C@H](CC)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 98072109 VKXIXUHITNAPFE-UONOGXRCSA-N 297.402 3.966 30 20 CHED CC1=CCCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 334729641 SEBUPXNLXOPEIT-UHFFFAOYSA-N 289.766 3.590 30 20 CHED CC[C@H]1CN([C@@H](C)c2cccc(C#N)c2)C[C@@H](CC)O1 420957662 OKAIKSDZASPBGR-RRQGHBQHSA-N 272.392 3.509 30 20 CHED CCCCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)C1(C)C 236851332 XJKVTABTFBLHRQ-IAGOWNOFSA-N 286.419 3.632 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H]1CSC[C@@H]1C 510247971 AKLQADWDXGBGPB-ZFWWWQNUSA-N 296.480 3.516 30 20 CHED Cc1ccc(C#N)c(NC[C@]2(C)C[C@@H]2c2ccccc2)n1 338738639 IEASBGPSCHDBDA-AEFFLSMTSA-N 277.371 3.867 30 20 CHED CCc1nc(C)c(N=C(O)N(C)[C@H](C)c2ccco2)s1 331183449 IALCLZIFDGDEIE-SNVBAGLBSA-N 293.392 3.845 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(C(F)(F)F)c1 435749141 RNPJPJQFKZFOAR-ZFWWWQNUSA-N 299.336 3.776 30 20 CHED Cc1sc(NC(=O)c2cc(C(C)C)on2)c(C#N)c1C 335978161 OWUMNMORASRQAC-UHFFFAOYSA-N 289.360 3.600 30 20 CHED C=CCc1ccccc1OCC(=O)N(C)C1CCCCC1 515313737 YLXVHAHVIRSNOV-UHFFFAOYSA-N 287.403 3.585 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2c([nH]c3ccccc23)C1 335530065 CDYBCHMAXFUVMB-UHFFFAOYSA-N 282.387 3.655 30 20 CHED C=CCC[C@@H](NCCN(C)Cc1ccc(F)cc1)C1CC1 438979821 QZYMOFGRFHJBCN-GOSISDBHSA-N 290.426 3.592 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC1CCC(C)CC1 432256981 FMNPKHPUENMMFJ-UHFFFAOYSA-N 285.391 3.815 30 20 CHED Cc1nc(CN(C)[C@H](C)c2ccc(C#N)cc2)cs1 340687554 UJMNKDHIZXIWLJ-LLVKDONJSA-N 271.389 3.516 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)NCc2ccc(C#N)cc2)CC1 245505838 GNFFLXQJZQLVBQ-QAQDUYKDSA-N 284.403 3.637 30 20 CHED C[C@H](NC[C@H]1[C@H]2c3ccccc3C[C@H]21)c1cccc(C#N)c1 245960769 YCPNWPCVOUMQSG-JZOCTASASA-N 288.394 3.795 30 20 CHED N#Cc1ccc(CNc2cncc(-c3ccccc3)n2)cc1 346214662 ULFFRZBLJIJJBT-UHFFFAOYSA-N 286.338 3.627 30 20 CHED C=CC[C@H](CC)N[C@H]1CCc2cc(OC)c(OC)cc21 343502096 JTTVYKGWRRWTIJ-ZFWWWQNUSA-N 275.392 3.635 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCC(CCC(C)C)CC1 437914101 XFLOXLRWCWYFQG-SFHVURJKSA-N 295.467 3.890 30 20 CHED CSc1cccc(NCc2ccc(C#N)o2)c1C 341326409 XBBHMFSJKMIXTK-UHFFFAOYSA-N 258.346 3.794 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)c2cncs2)c1C#N 436696577 JAFQDIIWAZCWCJ-QMMMGPOBSA-N 278.768 3.545 30 20 CHED N#Cc1ccnc(N[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 343045000 JPSPGCIVRXGZMI-ZIAGYGMSSA-N 269.735 3.575 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@H](C)c2ccco2)cc1 529352230 WIAHULSETGEOCG-AWEZNQCLSA-N 299.370 3.654 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(OCC(C)C)c1 528050387 CZTWSCLVADKNMP-UHFFFAOYSA-N 288.391 3.990 30 20 CHED CC(C)CC1(C)CCN(c2cnccc2C#N)CC1 341046928 NNDPJWJTKGGHQQ-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C=C(CNC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 608837095 OFBNTYZTSLTANZ-YRNVUSSQSA-N 294.354 3.911 30 20 CHED N#CCCCCNCc1ccc(F)c2ccccc12 601106157 TZTRNUDWRMRKHO-UHFFFAOYSA-N 256.324 3.762 30 20 CHED N#Cc1ccc(CN(CCc2cccc(F)c2)C2CC2)cc1 609614018 SVYWPUJFECSBCV-UHFFFAOYSA-N 294.373 3.904 30 20 CHED CCOC1(CN[C@H](CC)c2ccc(C#N)cc2)CCCC1 340461261 FPGFORHDMRFDDA-QGZVFWFLSA-N 286.419 3.948 30 20 CHED O=C(/C=C\c1ccc(Cl)c(F)c1)c1cc(O)cc(O)c1 255914822 KEEQWRWBCNMLIE-RQOWECAXSA-N 292.693 3.786 30 20 CHED CC(C)c1cnc(CNC2(c3cccc(C#N)c3)CC2)s1 341217044 XEEWDSXIORXKEU-UHFFFAOYSA-N 297.427 3.917 30 20 CHED N#CCN(Cc1ccc(-c2cccs2)cc1)C1CC1 444618943 IVJRDVRPQDAQQC-UHFFFAOYSA-N 268.385 3.903 30 20 CHED C=CC[C@H](CC)NCc1nc2ccc(OC)cc2s1 341431744 HITPELWVWXSYQW-NSHDSACASA-N 276.405 3.749 30 20 CHED N#CCCCSCc1ncc(Br)cc1F 601064622 TVVRXSHIYOFFCP-UHFFFAOYSA-N 289.173 3.520 30 20 CHED Cn1cc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cn1 255318619 KPJAWMBLTBDSFJ-WTKPLQERSA-N 293.153 3.549 30 20 CHED CN(CCCCC#N)C[C@H]1CCCO[C@H]1c1ccccc1 608832766 TXPGDUTVUQVXDW-MSOLQXFVSA-N 286.419 3.780 30 20 CHED C[C@H](CCC#N)CN[C@@H]1c2ccccc2CC[C@H]1C 602578941 PZBWNEMMGYELOX-CPUCHLNUSA-N 256.393 3.839 30 20 CHED CC(C)c1cnc(SCc2ccc(C#N)cc2F)[nH]1 600587555 TWKAHZYPULCYJQ-UHFFFAOYSA-N 275.352 3.836 30 20 CHED C=CCCCSc1n[nH]c(=NC2CCCCC2)s1 605076226 QVXBUZXLRZMZKI-UHFFFAOYSA-N 283.466 3.763 30 20 CHED C=CCN(Cc1cc(C)c2ncccc2c1)C1CC1 350270748 UTLHSPSZQRYFOG-UHFFFAOYSA-N 252.361 3.694 30 20 CHED N#Cc1ccccc1OCCN[C@H](c1cccs1)C1CC1 539368608 RIWNVLMTLWZNIB-KRWDZBQOSA-N 298.411 3.739 30 20 CHED CC[C@@H](C#N)C(=O)NCC(C)(C)c1ccc2ccccc2c1 600688295 PGYZJOMJVKLPNE-AWEZNQCLSA-N 294.398 3.783 30 20 CHED N#Cc1cccnc1NCCCCCOC1CCCCC1 609514737 YZERWSKFEJUBLI-UHFFFAOYSA-N 287.407 3.885 30 20 CHED C=CCC[C@H](CC)NCc1ccncc1OCC(F)F 442856125 NPEQXJMJLCNZIG-ZDUSSCGKSA-N 284.350 3.560 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](F)CC 352916927 UDLQOYMRPPBGGS-OAHLLOKOSA-N 267.392 3.590 30 20 CHED N#Cc1cc(NCCCOCCc2ccccc2)ccc1F 444398609 GUTPMTAUOFRRHN-UHFFFAOYSA-N 298.361 3.759 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)[C@@H](C)c1ccc(OC)cc1 449548001 KMPURUIVGCOTKX-DTDBQYNISA-N 289.419 3.510 30 20 CHED C=C(C)CCc1noc(-c2cc3cc(F)ccc3[nH]2)n1 351625421 YDZYIQNNUOUAJI-UHFFFAOYSA-N 271.295 3.866 30 20 CHED CCN(CC1CCC1)C(=O)c1cccc(SCC#N)c1 358157034 WRYDEOGYOXWZKG-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CC#CCN(Cc1ccco1)Cc1ccc(C)s1 357621680 AXWRYIKTZDXSHK-UHFFFAOYSA-N 259.374 3.675 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)[C@@H]1C 610588356 FBCAWNXVHVZVDJ-VHSXEESVSA-N 287.313 3.619 30 20 CHED Cc1cc(CSCC(=O)C(C)(C)C)ccc1C#N 447290455 NPOOECPLLFZQDM-UHFFFAOYSA-N 261.390 3.715 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCCc2ccc(F)cc21 352338606 UBPUBQWVLAEIOZ-HNNXBMFYSA-N 275.367 3.922 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCO[C@@H](CC(C)C)C2)n1 611467831 DSPCOGNONUVONF-CABCVRRESA-N 287.407 3.576 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 614509713 RCLMZPDUNDKJEU-SJORKVTESA-N 284.403 3.791 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1c(F)cccc1F 538626103 LVPHJUKNTZCKQY-WDEREUQCSA-N 282.334 3.680 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cccc(OCC#N)c1 266351418 HLABHCBGIBXGGY-QWHCGFSZSA-N 289.379 3.535 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2ccccc2[C@H]1C 455370452 RESZPUVZFRYZEX-CYBMUJFWSA-N 272.392 3.528 30 20 CHED CC[C@@H](C)CCCCC(=O)N(CC)C[C@@H](C)C#N 612279654 TWPQNALRJFUAMS-KGLIPLIRSA-N 252.402 3.601 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1cccc(Cl)c1C#N 450500002 MCQLPXZHCYEFNK-NHYWBVRUSA-N 276.767 3.605 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)s1)C1CCCCC1 610522533 RTTAWZWECBBQHU-CYBMUJFWSA-N 276.405 3.708 30 20 CHED CCN(Cc1ccc(Cl)s1)[C@@H]1CC[C@@H](C#N)C1 278578707 JWSWCJCPMQYSFN-GHMZBOCLSA-N 268.813 3.916 30 20 CHED C[C@H](c1ccc(C(=O)NC2(C#N)CCC2)cc1)C(F)(F)F 455066897 XKPAHVUTEOCNDV-SNVBAGLBSA-N 296.292 3.528 30 20 CHED C=CCCN(C)C(=O)c1ccccc1SC(C)C 276129319 LKBFLYMVDUKCMC-UHFFFAOYSA-N 263.406 3.835 30 20 CHED Cc1ccc(C)c(CC(=O)N[C@H](C)c2cccc(C#N)c2)c1 610359771 NWOZWXKRHYCRHV-OAHLLOKOSA-N 292.382 3.595 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cccc(C#N)c1 361007351 FCGFKPLFPVBBMG-WFASDCNBSA-N 270.376 3.503 30 20 CHED CC#CCCCC(=O)Nc1nc(C2CCC2)cs1 277724344 OPHHXKRNWJHPPQ-UHFFFAOYSA-N 262.378 3.543 30 20 CHED CC[C@H](c1ccccc1)N(CC)Cc1cc(C#N)n(C)c1 361509473 VCUUGNYQYNHQRD-GOSISDBHSA-N 281.403 3.870 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2sccc2C#N)C[C@H]1C 459867237 YQPCIXOLGJKUPM-GMTAPVOTSA-N 262.378 3.631 30 20 CHED N#CCc1ccc(NC2CCC3(CCCO3)CC2)cc1 364713457 AQLACMZZKCJVKM-UHFFFAOYSA-N 270.376 3.656 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1F 362298121 SQZJKEJGGLHPJY-HUUCEWRRSA-N 298.292 3.579 30 20 CHED C=C(C)CCNC(=O)[C@@H](OC(C)(C)C)c1ccccc1 452718096 OKTLMLUCRUQKLX-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C=CCCc1noc(Cc2c(C)oc3ccccc23)n1 453234562 LHMASMHQANPIKQ-UHFFFAOYSA-N 268.316 3.834 30 20 CHED CC#CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 277542141 VKUAXZRQVNKNAK-SECBINFHSA-N 270.159 3.536 30 20 CHED C=CCC1(CNC(=O)N(C)CC2CCC2)CCCC1 455482385 SSBMFRIXJLKEOT-UHFFFAOYSA-N 264.413 3.564 30 20 CHED C=C(CC)CNC(=O)N(C)Cc1ccc(Cl)s1 455534746 AEWCHNHXNKXUPB-UHFFFAOYSA-N 272.801 3.509 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)C1 548641329 FURBZVZIRULYAW-IUNXBHMESA-N 296.414 3.853 30 20 CHED C[C@@H](CCC1CC1)NC(=O)c1ccc(Cl)c(C#N)c1 546717574 AODBHCGFMFFBEB-JTQLQIEISA-N 276.767 3.520 30 20 CHED N#CCCCC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 452582194 FCJQSFBKMFPJML-OAHLLOKOSA-N 294.757 3.740 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl 452529217 OPXBCWKMKKVTNN-QWHCGFSZSA-N 290.794 3.768 30 20 CHED C=CCn1cc(-c2ccc(CN3CCCCC3)cc2)cn1 629696471 ATGOGJHLRGFMMK-UHFFFAOYSA-N 281.403 3.722 30 20 CHED C[C@H]1C[C@@H](NC(=O)Nc2cccc(CC#N)c2)CC[C@H]1C 455910151 TXQXCVWDVIXJOZ-WWGRRREGSA-N 285.391 3.699 30 20 CHED CC[C@H](CN(CC)C(=O)c1ccc(C#N)[nH]1)c1ccccc1 275068840 OZAZNADXMYBNCQ-CQSZACIVSA-N 295.386 3.542 30 20 CHED C=CCN(Cc1ccc(OC)c(OCC(C)C)c1)C1CC1 543620163 YBYBWEFCIQLTMZ-UHFFFAOYSA-N 289.419 3.880 30 20 CHED N#CCCCN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 277743019 IEEBMOZYMXAVRI-NSHDSACASA-N 294.679 3.976 30 20 CHED CC(C)(C)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 372638996 IAIWWWCIGANICD-CVEARBPZSA-N 284.403 3.721 30 20 CHED CC#CCCNC(=O)Nc1cccc(OCCC(C)C)c1 541706787 RLEYYHFFPILPPL-UHFFFAOYSA-N 288.391 3.646 30 20 CHED C=C(C)[C@@H](NCc1ccn(C)c1)c1ccc(F)c(F)c1 274827974 SXWSHLHUXJVYOI-MRXNPFEDSA-N 276.330 3.710 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1ccccc1SC)OCC 270174743 LXGIHCJLPHTOJK-CQSZACIVSA-N 293.432 3.743 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 467933973 SMKJBZQISJSGKY-TYVJZBCKSA-N 261.409 3.530 30 20 CHED C[C@H](C(=O)N1CCC[C@H]2CCCC[C@H]21)c1cccc(C#N)c1 461789003 YWGPJIHDLIAZCQ-YXJHDRRASA-N 296.414 3.843 30 20 CHED C=C[C@H](C)NC(=O)C(C)(C)Cc1cccc(Cl)c1 465114556 QEWLCILSKJSMGG-NSHDSACASA-N 265.784 3.599 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1cccs1 461767837 BXNPHNGRGBLKJE-RYUDHWBXSA-N 284.384 3.601 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1noc(C)n1)c1ccc(F)c(F)c1 289312016 CURCFMXCESULJI-XPTSAGLGSA-N 293.317 3.624 30 20 CHED Cc1ccc(O[C@H](C)CNc2ccc(C#N)cc2F)cc1 463073998 MVPNLWYNOWBEFK-CYBMUJFWSA-N 284.334 3.885 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)cc1 552584451 GWVWEFZCNOUKBW-GDBMZVCRSA-N 287.403 3.694 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](OC)c1ccc(Cl)cc1 468012665 XJBJCZIAZCGPGC-GDBMZVCRSA-N 295.810 3.746 30 20 CHED CN(c1nc2cc(Cl)ccn2c1C#N)C1CCCCC1 552894936 WFPNUQQQRKBOBY-UHFFFAOYSA-N 288.782 3.628 30 20 CHED C=CCC[C@@H](NCc1cccc(NC(=O)OC)c1)C1CC1 287752381 ZKDKHKFNRBVCAG-MRXNPFEDSA-N 288.391 3.699 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 465121657 SOUFLLVGESOJHY-UONOGXRCSA-N 275.392 3.576 30 20 CHED C=CCC1(c2nc(-c3ccc4[nH]cnc4c3)no2)CCC1 288971797 HUYMBUXQSNEFNO-UHFFFAOYSA-N 280.331 3.611 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@H]1CCCOC1 388951329 UQAHXCZAVLUSBJ-MNOVXSKESA-N 298.308 3.804 30 20 CHED C=CCC[C@@H](NCCc1nccs1)c1ccco1 286111711 NRAJCPRWDVYIOC-GFCCVEGCSA-N 262.378 3.576 30 20 CHED C=C1CCN(Cc2ccc(C(C)C)nc2CC)CC1 555353596 FKKVIOHACXKKDD-UHFFFAOYSA-N 258.409 3.919 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(C(C)(C)C#N)cc2)n1 557521326 GXYXQKZKBPPYML-UHFFFAOYSA-N 276.343 3.806 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cccc(OCC#N)c1 289805307 LFZOSZCVLOKZJL-CYBMUJFWSA-N 289.379 3.631 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CCC(C)(C)C1 474646356 VNWYEOHFGJQPBE-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CCC[C@@H](C)NCCc1cc(C(F)(F)F)ccn1 293827417 WSNXINYXMNNZTG-LLVKDONJSA-N 272.314 3.587 30 20 CHED CCN(CC#N)C(=O)C1(C2CCCCC2)CCCCC1 470871778 GGTGDTUPTTWIEN-UHFFFAOYSA-N 276.424 3.889 30 20 CHED COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1 290142680 CGXZNQYQVPZRGS-WQVCFCJDSA-N 292.810 3.699 30 20 CHED C=CCCCCCCNC(=O)NCc1cccc(OC)c1 804857299 JLHDEHMBLSHXQY-UHFFFAOYSA-N 290.407 3.631 30 20 CHED Fc1ccc([C@H]2CCCC2=NN[C@@H]2CCSC2)cc1 808002419 JVIGAPWAAOKKEU-ZIAGYGMSSA-N 278.396 3.544 30 20 CHED C=CC1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 470178998 QVNSQAVBBDJIQZ-SDNWHVSQSA-N 286.375 3.896 30 20 CHED C/C=C\c1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 569283748 NZQHDLJVUBSULK-IHWYPQMZSA-N 280.287 3.638 30 20 CHED Cc1cscc1C(=O)N1CCCc2cc(C#N)ccc21 297810493 PEQBUJSABAPVCY-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C=CCCCCNCc1nc2cc(Cl)ccc2n1C 472044069 RYTZBSXNMJBZHT-UHFFFAOYSA-N 277.799 3.673 30 20 CHED C=C[C@H](C)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 477774407 KJUDXHKZCVPVHG-ZETCQYMHSA-N 283.158 3.779 30 20 CHED C=CCCc1noc(CCSc2ccccc2F)n1 297368502 QGWOUVCZXJKHPK-UHFFFAOYSA-N 278.352 3.662 30 20 CHED CC(C)CC(Cc1cccc(Cl)c1)=NNc1nc[nH]n1 807996488 VJBUQTGZTZFJQI-UHFFFAOYSA-N 291.786 3.515 30 20 CHED N#CCCCC(=O)Nc1ccccc1N1CCCCCC1 291923094 SJXIOWTUBZUKIR-UHFFFAOYSA-N 285.391 3.699 30 20 CHED O=C1/C(=C/c2ccccc2F)Cc2nc(Cl)ccc21 806579958 WXYRJYJFWUHTRY-JXMROGBWSA-N 273.694 3.697 30 20 CHED C=CC1CCN(CC[C@@H](C)OCc2ccccc2)CC1 475072058 XWRFWWJQDFFZDU-MRXNPFEDSA-N 273.420 3.880 30 20 CHED C=CCCCCCCNC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 805254057 YWBGRSFCSZROKP-JKSUJKDBSA-N 296.455 3.626 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C(C)(C)CC)o2)C1 641657318 SLWLDRBWWLZPKB-LBPRGKRZSA-N 263.385 3.550 30 20 CHED N#C[C@@H](OC(=O)Cc1ccc(Cl)s1)C1CCCCC1 801484301 BKWCBPNPDAZXJC-GFCCVEGCSA-N 297.807 3.960 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCC1=CCCOC1 806498402 ACLONLZQZPOCRA-OAHLLOKOSA-N 296.455 3.629 30 20 CHED N#Cc1ccc(CNCc2cccnc2Cl)cc1Cl 800895955 RMQVTUGLLMLIAI-UHFFFAOYSA-N 292.169 3.550 30 20 CHED C#CCCCC(=O)O[C@H]1CCc2cc(Cl)ccc21 803470725 FZENTMDZUKMNLK-AWEZNQCLSA-N 262.736 3.674 30 20 CHED C=CCC(C)(C)c1noc(C[C@H](OCC)C2=CCCC2)n1 563674454 RLHJOFJGYDNGOF-AWEZNQCLSA-N 290.407 3.981 30 20 CHED CCc1nc(C(C)C)ccc1Cn1cc(C)c(C#N)c1 563612177 GAMRZBYNASRAPO-UHFFFAOYSA-N 267.376 3.797 30 20 CHED CS[C@@H]1CC[C@@H](N=c2c(C#N)c[nH]c3ccc(C)cc23)C1 813595614 ZMDZLRNYPWMHBO-ZIAGYGMSSA-N 297.427 3.533 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Cl)c(OC)c1 489827045 RPBUKWRQDJYPAK-UHFFFAOYSA-N 281.783 3.681 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(F)c(F)c2)c(C(F)F)n1 812241077 BUTRWNDUFIHFLK-HWKANZROSA-N 298.239 3.532 30 20 CHED Cc1cccc(F)c1CN[C@H]1CCc2ccc(C#N)cc21 810220053 OQZPSIVQPLTHDB-SFHVURJKSA-N 280.346 3.783 30 20 CHED C#CCON=C(Cc1ccccc1F)Cc1ccccc1F 812233919 IIGQXUJTZOXFGE-UHFFFAOYSA-N 299.320 3.756 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C)cc1Cl 488812617 FYSSHXBLANYOIA-GFCCVEGCSA-N 263.768 3.829 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1Cc2ccccc2O1 811590199 SGHFQDCFPZWOGN-QGZVFWFLSA-N 287.403 3.633 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](CCCCC)c1ccccc1 812025617 BJXUAYPOEIATSC-WBVHZDCISA-N 286.419 3.971 30 20 CHED C#CCCCCCC(=O)N[C@@H](c1ccccc1)C(F)F 817222849 AEQYTOYLNITELE-HNNXBMFYSA-N 279.330 3.693 30 20 CHED C=CCCn1cc(CNc2cc(C)c(Cl)c(C)c2)nn1 656119132 YGZPYLVOMNSYNS-UHFFFAOYSA-N 290.798 3.737 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1csnn1 814901026 UBHUIYKFAHZTJX-UHFFFAOYSA-N 274.393 3.672 30 20 CHED COCCOc1ccc(SCC(C)(C)CC#N)cc1 578338389 IJXLLPMLYIZMAV-UHFFFAOYSA-N 279.405 3.744 30 20 CHED CCc1cnc(C=NNc2ccc3ccccc3n2)s1 814697511 RFLUEFBIOBKZPE-UHFFFAOYSA-N 282.372 3.700 30 20 CHED C=CC[C@@H](CC)NCc1ccc(O[C@H](C)COC)cc1 657454627 CDHGKOCUSGANTG-GDBMZVCRSA-N 277.408 3.545 30 20 CHED Cc1ccc2c(c1)/C(=C\c1ccc(C#N)c(C)c1)C(=O)N2C 811700331 JDRDEBKOSHDCJI-LICLKQGHSA-N 288.350 3.692 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(-c2ccccc2)no1 815312817 KDTIXYDQANNAQT-UHFFFAOYSA-N 293.269 3.596 30 20 CHED Cc1nc(N2CCC[C@@H]2CCC(C)C)ccc1C#N 488118803 RJWJLICCCZDAFZ-OAHLLOKOSA-N 257.381 3.667 30 20 CHED C[C@H]1C[C@H](C)CN(Cc2ccccc2C(C)(C)C#N)C1 487357601 BDGQNKMPUHBHKV-GJZGRUSLSA-N 270.420 3.966 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3ccccc3C#N)c2c1 488269122 UZLSFFJOZJXHNW-UHFFFAOYSA-N 299.333 3.866 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCC[C@H]1CC 489825754 OAGUWFFYFVCQDG-KGLIPLIRSA-N 251.414 3.921 30 20 CHED Cc1ccc([C@H]2CCCCN2Cc2ccc(C#N)cn2)cc1 570938156 ITQMWDALNBFEEP-LJQANCHMSA-N 291.398 3.989 30 20 CHED C=CCCN[C@H]1CCCOc2c(Cl)cccc21 658116320 IYEWIPBORLIKBO-ZDUSSCGKSA-N 251.757 3.719 30 20 CHED C#Cc1cccc(NC(=S)N2CCC(C)(CC)CC2)c1 726490265 WBWJKCZGWMXMFT-UHFFFAOYSA-N 286.444 3.877 30 20 CHED C[C@@H]1CN(c2nccc(C#N)c2Cl)[C@@H]2CCCC[C@@H]12 570554227 LLQXZVKWOYVZRC-KGYLQXTDSA-N 275.783 3.622 30 20 CHED C(=NNC1CCCC1)c1ccc(OCc2ccncc2)cc1 727651766 PPRLVKQUHDEKEP-UHFFFAOYSA-N 295.386 3.527 30 20 CHED C=CCCCCCN(C)C(=O)NCCCc1ccco1 662055900 QLNWBXHXZBNEIW-UHFFFAOYSA-N 278.396 3.600 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CC=C)C1 669074755 JXXGUPLCFRYPLA-CQSZACIVSA-N 288.439 3.554 30 20 CHED C=CCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 490054041 NSPMWTMEYKPTNN-UHFFFAOYSA-N 260.337 3.525 30 20 CHED C=CCn1c(CC2CCCC2)nnc1N1CCCCCC1 584319612 IUHBBTAVKMLELQ-UHFFFAOYSA-N 288.439 3.577 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(C(=O)O)sc1C 825664793 LRFGEPKTTSPVTC-UHFFFAOYSA-N 294.372 3.566 30 20 CHED COc1cccc2c1CC/C(=C/c1ccc(O)cc1)C2=O 588618061 DDOZZRKYGQSOBF-QBFSEMIESA-N 280.323 3.613 30 20 CHED C=C1CCC(CN[C@H](C)CC(C)(C)CC(=O)O)CC1 905731825 WKRMMOGBAUPQFF-CYBMUJFWSA-N 267.413 3.602 30 20 CHED N#Cc1cc(Cl)ccc1CSCCOC1CC1 902581350 VJICALIJFTZGJM-UHFFFAOYSA-N 267.781 3.624 30 20 CHED CN(C(=O)c1ccsc1C#N)C1CCC(C)(C)CC1 903880764 CJARPLIZWJEDHY-UHFFFAOYSA-N 276.405 3.661 30 20 CHED C=CC1CCN(C(=S)N[C@H](C)c2cccs2)CC1 731942044 FJOVKVYXETYDNX-LLVKDONJSA-N 280.462 3.582 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cc2c(cc1O)CCCC2 903031091 BFTRWBVXQZALLR-CYBMUJFWSA-N 284.403 3.615 30 20 CHED CCNC(=S)Nc1ccc(Oc2cccc(C#N)c2)cc1 731320428 UULIMMRMLNMZEG-UHFFFAOYSA-N 297.383 3.657 30 20 CHED CCc1ccccc1NN=Cc1c(CC)nn(C)c1Cl 734745255 GADBRUVWLORRBI-UHFFFAOYSA-N 290.798 3.644 30 20 CHED COc1ccccc1C[C@H](C)CC(=O)OCCCCC#N 730653394 FYCKYDYISIUKCK-AWEZNQCLSA-N 289.375 3.501 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1C 839043744 NLWRRWKKEKKSNR-ZFWWWQNUSA-N 257.333 3.543 30 20 CHED CC[C@H](CC(C)C)C(=O)Oc1ccc(C#N)cc1OC 839217936 QJDVYIZASCTLOQ-CYBMUJFWSA-N 275.348 3.545 30 20 CHED C/C(Cl)=C\C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 900423013 ZFXPMRSYPNIXMZ-MDWZMJQESA-N 290.794 3.685 30 20 CHED C=CC[S@](=O)[C@H](C)c1ccc(Cl)c(Cl)c1 905169229 WJWDZIOXOKJKGQ-GLEZIHRCSA-N 263.189 3.989 30 20 CHED CC(C)[C@H](NCC1(C#N)CCC1)c1ccc2nc(O)oc2c1 903033748 YRUSIHXQNSQLMO-HNNXBMFYSA-N 299.374 3.514 30 20 CHED CC[C@H](NCCc1ccc(O)cc1)c1cccc(C#N)c1 902767541 HWXNXWGHWSCXPY-SFHVURJKSA-N 280.371 3.547 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC1(C)C 583221881 LFGDRFRCVSMSRU-CYBMUJFWSA-N 252.402 3.563 30 20 CHED Cc1cccc2cc(C(=O)N(O)Cc3ccc(F)cc3)oc12 901374241 HHXILEQUJQXBFJ-UHFFFAOYSA-N 299.301 3.912 30 20 CHED CCc1ncc(CON=Cc2ccccc2OC(C)C)o1 902687387 FZYHQQUOVYVUNQ-UHFFFAOYSA-N 288.347 3.575 30 20 CHED C=CCCC(=O)OCc1ccc(Br)cc1C 733686239 DQFQOKQDMVXSSQ-UHFFFAOYSA-N 283.165 3.767 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1ccc(Cl)s1 588523452 GTYQOBFQVBTYIT-IWQZZHSRSA-N 267.712 3.832 30 20 CHED Cc1c(Cl)cccc1C(=O)N(O)Cc1ccc(F)cc1 900095110 XGQVULHKNBFHBV-UHFFFAOYSA-N 293.725 3.819 30 20 CHED CSc1ccc(/C=C\C(=O)c2cn(C(C)C)nn2)s1 901525292 JGQKDTKRCWIFKI-XQRVVYSFSA-N 293.417 3.539 30 20 CHED C=CCCCCCN(C)Cn1cnc2cc(F)c(F)cc21 739884183 GRSOPADLYPTFFX-UHFFFAOYSA-N 293.361 3.950 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)c1ccsc1)c1ccncc1 737854706 KVUGWODYQGIIMG-WFASDCNBSA-N 286.400 3.680 30 20 CHED COc1cc(/C=C\C(=O)c2occc2C)ccc1C 588599253 UMXWPMBOSUSQGC-SREVYHEPSA-N 256.301 3.801 30 20 CHED COc1cccc(C(C)=NNc2ccc(F)cc2)c1 916268119 KOTIHGFWOOUPSL-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C#C[C@H](NC(=O)/C=C(/C)CC)c1ccc(Cl)cc1F 832374273 LKXQVZJMJYUFBF-GDAGCXPBSA-N 279.742 3.626 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)c1cc(C#N)ccc1F 830020563 CPQKXLZIARATCQ-AWEZNQCLSA-N 288.366 3.738 30 20 CHED C=CC(C)(C)C(=O)OCc1nc2ccccc2n1C(F)F 835089762 NPIYVVYBERIFQF-UHFFFAOYSA-N 294.301 3.687 30 20 CHED C[C@@H](NN=Cc1cc2ccccc2s1)C(F)(F)F 834999318 CUPZLKFRCCQXAG-MRVPVSSYSA-N 272.295 3.776 30 20 CHED CSCC1CCC(=NN[C@H](C)C(C)(C)C)CC1 834981256 KZTUZEYVHJUOSS-JHJMLUEUSA-N 256.459 3.920 30 20 CHED CC(=NNc1cnccn1)c1cc(Cl)sc1Cl 912961763 FUUIWQXQQVTNRE-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C=C(C)CCOC(=O)COc1ccc(C(C)C)cc1 744303649 MUEHIHMDKGRKJC-UHFFFAOYSA-N 262.349 3.698 30 20 CHED CCc1ccccc1NN=Cc1ccc(OC)cc1OC 915051790 RYTYWPCOMJEROB-UHFFFAOYSA-N 284.359 3.712 30 20 CHED Cc1cccnc1NN=Cc1ccccc1C(C)C 848409651 ZTSFYMJKNIFISR-UHFFFAOYSA-N 253.349 3.959 30 20 CHED C=CCN(C(=O)c1cc2ccc(F)cc2nc1C)C(C)C 915153147 CNRJVCPZAXMHSP-UHFFFAOYSA-N 286.350 3.719 30 20 CHED C#Cc1ccc(C(=O)OCCCc2ccc(Cl)cc2)cn1 740958978 QWNMADYZAATUKV-UHFFFAOYSA-N 299.757 3.506 30 20 CHED C=CCCOC(=O)c1ccc(CN(CC)C(C)C)cc1 740235303 COSSCLSYPMHWNF-UHFFFAOYSA-N 275.392 3.650 30 20 CHED C=CCCSCCNC(=O)[C@@H](CC)OC1CCCCC1 597968132 CVMPKNGLSOWKTH-OAHLLOKOSA-N 299.480 3.540 30 20 CHED CCOc1ccc(/C=N/Cc2cccc(C)c2)c(O)c1 912787493 YDNYWGUPFDVLQR-LDADJPATSA-N 269.344 3.718 30 20 CHED COc1cc(C)c(-c2cccc(C[C@@H](C#N)CO)c2)cc1C 592986726 IUYHHYDOWKLBDC-INIZCTEOSA-N 295.382 3.654 30 20 CHED N#CCCC1CCN(Cc2ccccc2OC2CC2)CC1 592135990 VZQFZZPIUZQAFB-UHFFFAOYSA-N 284.403 3.744 30 20 CHED CS[C@@H]1CCCC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 593717188 YYENUCHCHKDOPW-BRWVUGGUSA-N 286.444 3.809 30 20 CHED C=CCN(C(=O)N[C@H](CC)c1ccccc1OC)C(C)C 918067364 HCORNZDHUWKFEG-OAHLLOKOSA-N 290.407 3.752 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1(C)CCCCC1 593991137 XRYHNCMRQSGQKM-OAHLLOKOSA-N 298.430 3.823 30 20 CHED C=CCC1(C(=O)O[C@@H]2CCCc3cccnc32)CCC1 845647567 VCWGKYHIWOKBBG-CQSZACIVSA-N 271.360 3.749 30 20 CHED COc1ccc2c(c1)O/C(=C/c1ccc(C)s1)C2=O 749132801 RVTKJYBRSIFQHM-RIYZIHGNSA-N 272.325 3.681 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC([C@@H]2CCCCO2)CC1 595789701 SNDPYQOBGIALRE-KXBFYZLASA-N 298.430 3.900 30 20 CHED CC(C)c1nc(CN[C@@H]2CCCC[C@@H]2C#N)c2ccccn12 597195485 JAGNCAZODQKQFU-HUUCEWRRSA-N 296.418 3.630 30 20 CHED Cc1ccc(CCNc2nc(C(C)(C)C)ccc2C#N)nc1 591166758 BOCHIGRLTKFMSE-UHFFFAOYSA-N 294.402 3.609 30 20 CHED C[C@@H]1Cc2ccccc2N1C(=O)CC1(C#N)CCCCC1 596701522 IKPYULLGEVOFFI-CQSZACIVSA-N 282.387 3.828 30 20 CHED CC[C@@H](C#N)C(=O)NC1(c2cccc(Cl)c2)CCCC1 593535342 XLYXEKLNFWMVOT-LBPRGKRZSA-N 290.794 3.775 30 20 CHED C#CCC1(C(=O)N(C)c2ccc(OC)cc2)CCCCC1 844660116 NPBQCQGAKJSEME-UHFFFAOYSA-N 285.387 3.632 30 20 CHED C=C1CCC(C(=O)N[C@H](CC)C(=O)c2ccccc2)CC1 913788481 FQMYPJWVNCXMPJ-MRXNPFEDSA-N 285.387 3.511 30 20 CHED CCC(=NNc1cccc(Br)n1)[C@@H]1C[C@@H]1C 841643086 HPSVGBSDSZUDEC-DTWKUNHWSA-N 282.185 3.678 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@@H](C)C[C@@H](C)C2)o1 747753843 NZVYGLGHMDEJNZ-PHIMTYICSA-N 274.368 3.894 30 20 CHED C=CCOC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 917264302 ODIFUHUVSFTDIP-CYBMUJFWSA-N 283.327 3.564 30 20 CHED Cc1ccc(C2(C(=O)N3CCC[C@H](CC#N)C3)CCC2)cc1 597902724 ULTWQBIJCRUQTN-MRXNPFEDSA-N 296.414 3.569 30 20 CHED C[C@@H](NC(=O)N1CCC2(CCCC2)C1)c1ccc(C#N)cc1 743125186 OPWHFKHOUPAJOB-CQSZACIVSA-N 297.402 3.595 30 20 CHED C=C[C@H](Cc1nc(-c2cccc(C)n2)no1)c1ccccc1 680734046 DJRKEKBNYOZCQT-CQSZACIVSA-N 291.354 3.952 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(OC)nc1 918397364 ARAOJOMVKPXTKJ-UHFFFAOYSA-N 292.423 3.913 30 20 CHED C=C(Br)COC(=O)/C=C(\C)c1ccc(F)cc1 743063552 BXRMBBKQZNTRCZ-VQHVLOKHSA-N 299.139 3.681 30 20 CHED CC[C@@H](OCCN1CCC[C@](C)(C#N)C1)c1ccccc1 593023645 YKTDYTMSVMRYRJ-QZTJIDSGSA-N 286.419 3.780 30 20 CHED C(=NNc1cnnc2ccccc12)c1nccc2ccccc12 740762846 LEYTXCOUHBUMFA-UHFFFAOYSA-N 299.337 3.624 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\CCc2ccccc2C1=O 849241296 CFTHDCVZJJDSHD-GXDHUFHOSA-N 278.355 3.510 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 844554418 MRNZOGSHXSUIMJ-LLVKDONJSA-N 290.363 3.543 30 20 CHED C=CCCC(=NNc1cnnc2ccccc12)C1CC1 747749974 CGCATOVSGPMWBM-UHFFFAOYSA-N 266.348 3.774 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](CC)C(=O)c1ccccc1 759011437 RYBPWKNFYIHMMW-INIZCTEOSA-N 286.371 3.960 30 20 CHED C=C(C)CCc1noc(-c2coc(C3CCC3)n2)n1 685385059 AFGILBAQUXBKOU-UHFFFAOYSA-N 259.309 3.501 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccccc1N1CCCC1 682372951 BVBHIXPWEODHGG-GOSISDBHSA-N 286.419 3.505 30 20 CHED C#CCCCC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 758059562 ZUTLYBXMUWLFRI-QGZVFWFLSA-N 269.388 3.717 30 20 CHED Cc1ccc(NN=C2[C@H]3CCCO[C@H]3C2(C)C)cc1F 853438561 GVJZRHRZMGHJJL-IUODEOHRSA-N 276.355 3.737 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cnn(C2CCCC2)c1 925860675 JKPIQBOQJLXCDT-CQSZACIVSA-N 288.395 3.571 30 20 CHED CC[C@H](C(=O)N1CCC[C@H](C#N)C1)C1CCC(C)CC1 928217390 AHVLXDCRIXIXME-KNIAUWFNSA-N 276.424 3.601 30 20 CHED C#CC[C@H](NC(=O)Nc1ccc(Cl)cn1)c1ccccc1 756922682 WURAIBUDYFMACY-AWEZNQCLSA-N 299.761 3.621 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc(O)cc2O)s1 757472568 OQLAVZGYLRADMK-SOFGYWHQSA-N 274.341 3.618 30 20 CHED C#CCCCCNC(=S)Nc1ccc(OC(C)C)cc1 758434381 UFXIWVCJWVPTJH-UHFFFAOYSA-N 290.432 3.564 30 20 CHED Cc1ccnc(NN=CC[C@H](C)c2ccccc2)c1 755770046 JDKZFJLHKBVKMX-AWEZNQCLSA-N 253.349 3.982 30 20 CHED C=CCN(C(=O)Nc1ccc2ccccc2c1)[C@H](C)COC 854169079 IVOOAINUIKYCQS-CQSZACIVSA-N 298.386 3.895 30 20 CHED CC(C)c1ncc(C=NNc2ccc(F)cc2F)s1 758357894 CJVLGPUVDMICTQ-UHFFFAOYSA-N 281.331 3.991 30 20 CHED Fc1cccc2c1CCC2=NNc1ncnc2sccc12 921256139 MACYMMIMUJPWST-UHFFFAOYSA-N 298.346 3.593 30 20 CHED CC(C)CNN=Cc1ccc(Br)c(Cl)c1 754962636 XENAIWRUMWGPJJ-UHFFFAOYSA-N 289.604 3.682 30 20 CHED CC(C)c1ncc(C(=O)O[C@@H](C)CC(C)(C)C#N)s1 851208175 PCNAFQDKZQVKLK-JTQLQIEISA-N 280.393 3.752 30 20 CHED N#CC[C@@H]1CCCN(c2ccnc3c(F)cccc23)C1 853760879 LMGZBGWHVBXZCY-LBPRGKRZSA-N 269.323 3.504 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cccc(-n2cnnc2)c1 926480230 CBMHUYXGHOJDLX-CQSZACIVSA-N 284.407 3.520 30 20 CHED Clc1ccccc1[C@@H]1CCCC1=NNc1cccnn1 758125155 QVEJAUGANZXUOX-LBPRGKRZSA-N 286.766 3.866 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@](C)(CC)c1nc(C)cs1 933480960 XMEXSDYMICJJIZ-WFASDCNBSA-N 280.437 3.795 30 20 CHED N#Cc1cc(NCCC2CCC2)nc2ccc([N+](=O)[O-])cc12 756138291 VLXWKPVRUROQSK-UHFFFAOYSA-N 296.330 3.617 30 20 CHED CC(C)(C#N)CCCCN[C@@H](c1ccccn1)C1CC1 932381908 GAWDEZGAFVNFNY-MRXNPFEDSA-N 271.408 3.842 30 20 CHED CC(C)Cc1ccc(C(=O)N2CCC(C)(C#N)CC2)s1 935296256 AKLVQZWQZWIFHL-UHFFFAOYSA-N 290.432 3.712 30 20 CHED C#CCCc1noc(C[C@@H](C)c2ccc(CC)cc2)n1 762013932 MPOFHCATSNNIMH-CYBMUJFWSA-N 268.360 3.544 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C\c2cnnn2CC)cc1 863197462 RKLBEBWEPDKBOX-BSYHEUMXSA-N 283.375 3.708 30 20 CHED C[C@@H](C=NNc1nccc2sccc12)CCC#N 766012809 YYFLKSLCXDJIEL-SNVBAGLBSA-N 258.350 3.634 30 20 CHED N#CC1(OC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CCC1 762094450 KAXHJOAHHZHTFE-IAGOWNOFSA-N 291.350 3.933 30 20 CHED C#CCCCN[C@H](C)c1ccc(-c2ccncc2)cc1 766225014 YPTWDBAVJQCQSH-OAHLLOKOSA-N 264.372 3.813 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1[nH]c2ccccc2c1Cl 765630183 LOEAONIKPLOWHK-LLVKDONJSA-N 290.750 3.916 30 20 CHED C[C@]1(C/N=C\c2cc(Cl)ccc2O)CCO[C@@H]1C1CC1 767340571 BKJXUAULYNEBJX-OQWQLGHJSA-N 293.794 3.670 30 20 CHED CCCCCCCNC(=O)c1cccc(Cn2ccnc2)c1 862356069 AZJWIMGDAFVIBP-UHFFFAOYSA-N 299.418 3.632 30 20 CHED Fc1ccc(C=NNCc2cc(F)ccc2F)c(Cl)c1 767774734 AHADQJCAKMWAOF-UHFFFAOYSA-N 298.695 3.881 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)OCC(C)(C)CCC#N)c1 860735294 BBWCHDFJAYNPJK-JKSUJKDBSA-N 285.387 3.972 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCOc2ccccc21 862360239 YJEHEGIMZWDYFB-OAHLLOKOSA-N 275.392 3.639 30 20 CHED C#Cc1cccc(N[C@@H](C)Cc2cccc(F)c2)c1 133766494 YANSWCRGOLTEJZ-ZDUSSCGKSA-N 253.320 3.850 30 20 CHED COC[C@H](C)C(C)=NNc1c(F)cccc1Cl 769826263 CSECXXYOYPXWOQ-QMMMGPOBSA-N 258.724 3.549 30 20 CHED C=CCN(C(=O)c1ccc2sccc2c1)C(C)C 760355874 MIKDXWMIFJGYBQ-UHFFFAOYSA-N 259.374 3.938 30 20 CHED C[C@H]1CC[C@H](C(=O)OCCCCC(C)(C)C#N)C1 768830303 FBAYRIQZLLSRLK-STQMWFEESA-N 251.370 3.686 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C/Sc1ccccc1 776365511 WAVGECWKJHOFKQ-DHZHZOJOSA-N 275.373 3.775 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1ccccc1CC#N 776963675 DMGJSUTWJYXDPL-CRAIPNDOSA-N 298.430 3.722 30 20 CHED COC(=O)c1cccc(NN=Cc2ccccc2Cl)c1 779828521 WHGSHZDYNGEGNG-UHFFFAOYSA-N 288.734 3.573 30 20 CHED CCC(=NNC[C@@H](C)C#N)c1ccc(Cl)c(Cl)c1 771102449 GBVDVLJPQQUJPG-VIFPVBQESA-N 284.190 3.857 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 771018933 WNCHTCWJRSZDTO-CWRNSKLLSA-N 269.344 3.684 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccccc1CC#N 776937479 KQFYUCWBCFAKCH-YJBOKZPZSA-N 298.430 3.722 30 20 CHED C=CCCOCCCCC(=O)Oc1c(C)cccc1C 776178005 XFYAUQWWOIZIFS-UHFFFAOYSA-N 276.376 3.972 30 20 CHED C=C(C)CCNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 1117948618 DQAPEMQUCNQEJS-GFCCVEGCSA-N 289.272 3.798 30 20 CHED COc1cccc(NN=C(C)CCc2ccccc2)n1 779819923 XZQNUVMESLMJAY-UHFFFAOYSA-N 269.348 3.511 30 20 CHED N#Cc1cccc(COC(=O)/C=C/c2ccccc2F)c1F 774900182 LASRKLSEWICOIU-CMDGGOBGSA-N 299.276 3.593 30 20 CHED N#Cc1cccc(C(=O)O[C@H]2COc3cc(Cl)ccc32)c1 774520977 FAQIAEUEDNWTEL-HNNXBMFYSA-N 299.713 3.502 30 20 CHED CC1(C)CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 773945376 WPRAXNDKWGQWEO-VXGBXAGGSA-N 281.359 3.565 30 20 CHED Fc1cccc(Cl)c1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774597385 PTJIUOUBULIOFQ-BHDSKKPTSA-N 266.747 3.591 30 20 CHED O=[N+]([O-])c1ccccc1/C=C/C=NOC1CCCC1 774596698 KAQOFAGVKRWSOO-OSTIZCDPSA-N 260.293 3.553 30 20 CHED C=C(CC)COC(=O)c1c(C(F)(F)F)ccnc1Cl 776470798 WHDCTQIFWRAXIX-UHFFFAOYSA-N 293.672 3.877 30 20 CHED C#CCCCCCC(=O)Oc1ccc(N2CCCC2)cc1 779979928 WTTPGRNYCCMSIG-UHFFFAOYSA-N 285.387 3.776 30 20 CHED Cc1cccc(N(C)C(=O)Nc2cccc(C#N)c2)c1 1562143544 GTBLLXJGWUPKLJ-UHFFFAOYSA-N 265.316 3.535 30 20 CHED C=C1CCC(C(=O)N(C)Cc2ccc(F)c(F)c2)CC1 887933904 KIILFBWBWLZGNW-UHFFFAOYSA-N 279.330 3.670 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cnn(Cc2ccccc2)c1 785763348 YUCKVKHUWKULLT-GOSISDBHSA-N 298.386 3.577 30 20 CHED C#CCSCC(=O)Nc1cc(C(F)F)ccc1Cl 889613855 PDQVTZAMAGCDLL-UHFFFAOYSA-N 289.734 3.583 30 20 CHED COc1cccc(NN=C(CC(C)(C)C)C2CC2)n1 787162216 JVDODNNQSARROZ-UHFFFAOYSA-N 261.369 3.704 30 20 CHED N#Cc1ccc(NC(=O)CCC2CCC2)c(Cl)c1 269238494 YCIWHLPESMVPGV-UHFFFAOYSA-N 262.740 3.730 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1-c1ncco1 889015247 CTBZVYSXVKBLHT-GFCCVEGCSA-N 285.347 3.818 30 20 CHED C#CCCCCCC(=O)O[C@H](C#N)C1CCCCC1 780255872 XRVOMOUOOSPSOM-OAHLLOKOSA-N 261.365 3.586 30 20 CHED CN(C(=O)Nc1cc(C#N)ccc1F)[C@H]1CCC(C)(C)C1 888367058 UZFKPBATPAMCGF-LBPRGKRZSA-N 289.354 3.740 30 20 CHED C[C@H](OC(=O)c1cc(C#N)ccn1)c1ccc(Cl)s1 1127476826 PBGYNVGUSURFHZ-QMMMGPOBSA-N 292.747 3.586 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccsc1 782329592 UBKQIWCXAGSVON-ARJAWSKDSA-N 261.371 3.978 30 20 CHED N#CCCNC(=O)Nc1cccc(Sc2ccccc2)c1 785796898 VKYVAWWKPSLCHW-UHFFFAOYSA-N 297.383 3.873 30 20 CHED C=CCCCCCOC(=O)C[C@H](C)n1nc(C)cc1C 783011991 CJKSNBGVUGKAJS-HNNXBMFYSA-N 278.396 3.741 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(OCC(C)C)cc1 789688936 PFVURUZMKBEROI-UHFFFAOYSA-N 274.360 3.676 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)Cc1ccccc1Cl 785522861 CLCWRRZHVOFGMW-WBMJQRKESA-N 279.811 3.990 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@H](C(C)C)C2)c1 782015308 GNEQBCITRVFIDP-HNNXBMFYSA-N 270.376 3.568 30 20 CHED CCCCC[C@@H](NC(=O)NCC(C)(C)C#N)C(C)(C)C 781939910 LRYOGBWGDGFAJY-CYBMUJFWSA-N 281.444 3.830 30 20 CHED Oc1ccc(Cl)cc1/C=N\C[C@@H]1CCCCS1 783682464 VUEJNKAGOZJUDA-IYVNWDGISA-N 269.797 3.750 30 20 CHED C=C(C)c1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c1 899855181 TVEUVAZRKLTVTH-KGLIPLIRSA-N 287.359 3.549 30 20 CHED CCCCCCCCNC(=O)NCC[C@@H]1CCO[C@H](C)C1 784388763 OKLGORVSXSTJSJ-HZPDHXFCSA-N 298.471 3.851 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1cccc2ncccc12 786612409 TTYYFURJMONYER-INIZCTEOSA-N 255.317 3.743 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cnoc1C 799484271 AHTBNCQQVRZUBM-UHFFFAOYSA-N 267.691 3.612 30 20 CHED O=C(/C=C/c1cnn(CC2CCC2)c1)c1ccsc1 899353345 XFDOFXPCUPNYAK-SNAWJCMRSA-N 272.373 3.641 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(C#N)cs2)oc1C 799897504 PQAVWRBSBHIATM-ARJAWSKDSA-N 257.314 3.726 30 20 CHED CC(Cc1ccccc1C(F)(F)F)=NOCC(F)F 794859552 WGMIIACFWUTKLV-UHFFFAOYSA-N 281.224 3.906 30 20 CHED N#Cc1ccc(NC(=O)C23CCC(CC2)CC3)cc1F 710104129 HSWRSNCOTICUGA-UHFFFAOYSA-N 272.323 3.606 30 20 CHED N#Cc1ccc(NN=C2CCC23CCOCC3)cc1Cl 799884936 WHRUOEIGJVMVBO-UHFFFAOYSA-N 289.766 3.570 30 20 CHED Clc1cccc(Cl)c1CNN=Cc1ccccn1 793117359 LNSQSNYXCHWQHK-UHFFFAOYSA-N 280.158 3.512 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C\c1ccc(Cl)s1 798552068 XERJQFRMFLUHTQ-UJICNMFASA-N 269.797 3.886 30 20 CHED C=CC[C@H](C(=O)OC[C@@H]1CCC(C)(C)O1)c1ccccc1 792020827 KLTQNCUORDQPKV-HOTGVXAUSA-N 288.387 3.847 30 20 CHED C=CCNC(=S)Nc1c(CC)cc(C)cc1CC 795046236 SOHSEYQMRCBDBG-UHFFFAOYSA-N 262.422 3.592 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 797055046 NIZGRZLSLWKWHN-UHFFFAOYSA-N 277.320 3.549 30 20 CHED N#Cc1c(Cl)cccc1N1CC[C@@H](c2ccco2)C1 590689822 KKHHRQAUZCPBOE-LLVKDONJSA-N 272.735 3.799 30 20 CHED CCN(C[C@H](C)C#N)c1nc2c(C)cc(C)cc2s1 1306986925 TWXHBPGAPFOVQK-LLVKDONJSA-N 273.405 3.899 30 20 CHED CC(C)(C#N)CCCCOC(=O)CC#Cc1ccccc1 1320826000 YLWMTBDOJSLJBG-UHFFFAOYSA-N 283.371 3.691 30 20 CHED C=CCCCC(=O)OCc1csc(C(F)(F)F)n1 1321035839 JFVGFHPWJZXINA-UHFFFAOYSA-N 279.283 3.561 30 20 CHED C=CCCCCCCNC(=O)c1ccc2cncn2c1C 1329358769 CZEUAXVMLIYVRA-UHFFFAOYSA-N 285.391 3.509 30 20 CHED CC[C@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1185708324 OHUPNDZPLSDYTD-NSHDSACASA-N 285.778 3.996 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccc(Cl)o3)o2)cc1 1322255285 BADBRRLJGUCDOO-UHFFFAOYSA-N 271.663 3.522 30 20 CHED C=CCCCC(=O)NCCc1ccc(OC(C)(C)C)cc1 1324306215 ZGMRCOAZVYFLQP-UHFFFAOYSA-N 289.419 3.879 30 20 CHED N#CC1(c2ccccc2-c2ccc3c(c2)CCC(=O)N3)CC1 1330102901 JTJHDQMHVJFRGB-UHFFFAOYSA-N 288.350 3.793 30 20 CHED CC[C@H](C#N)N(CC)C(=O)Cc1ccc(Cl)c(Cl)c1 1339199017 ZGUITWROXPVGSE-LLVKDONJSA-N 299.201 3.687 30 20 CHED CCC(C)(C)c1ccc(Nc2nccnc2C#N)cc1 1186358394 DDZRJXKDDLNOTK-UHFFFAOYSA-N 266.348 3.779 30 20 CHED C=C[C@H](C(=O)N(C)[C@H]1CC[C@@H](SC)C1)c1ccccc1 1263751461 BIRBTKBCIYGRHC-XHSDSOJGSA-N 289.444 3.699 30 20 CHED CCn1c(C(=O)OCC2(C#N)CCC2)cc2ccccc21 1344029759 OFIYWXIGVYXDCR-UHFFFAOYSA-N 282.343 3.512 30 20 CHED C=CCC[C@@H](C(=O)NOC(C)(C)C)c1ccccc1 1343109358 GITFMYJQKVDDAW-CQSZACIVSA-N 261.365 3.583 30 20 CHED CC(C)[C@H](C)C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1349760851 ULSRJIYZDLWTGI-VHSXEESVSA-N 289.766 3.685 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCCOc2cc(F)ccc21 1262618131 MVMNMTFGKHYYOQ-CQSZACIVSA-N 277.339 3.512 30 20 CHED C=C(C)CCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 1262626418 OSVHMIRYZPEFOX-OAHLLOKOSA-N 293.794 3.596 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc[nH]c1CCC 1262655653 UWIODZWFXCOPGP-ZDUSSCGKSA-N 260.381 3.538 30 20 CHED Cc1ccccc1C1(C(=O)O[C@@H]2CC[C@@H](C#N)C2)CCC1 1347169393 CUWCJXRWHWQRIX-HUUCEWRRSA-N 283.371 3.652 30 20 CHED C=C(CC)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 1263729842 IDHULIJPRKFVAV-UHFFFAOYSA-N 288.391 3.884 30 20 CHED N#Cc1cc(C(=O)N[C@H](c2ccccc2)C2CCC2)cs1 1261253436 CPTXYUIKFYGQFX-MRXNPFEDSA-N 296.395 3.891 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)CCc1ccoc1 1275726991 ZCXRGQDYUSLWMX-UHFFFAOYSA-N 290.322 3.876 30 20 CHED COc1ccc(C)cc1CNc1ccc(C#N)cc1F 112011860 DDCITMJMADLHMV-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC(C)(CC#N)COC(=O)c1ccsc1C(F)F 1514561713 IDVHMKKVCDJCHJ-UHFFFAOYSA-N 273.304 3.782 30 20 CHED C=CCCCCCCCN[C@H](C)[C@H]1CCCOC1 810242666 GPMBUORSADTMFL-CVEARBPZSA-N 253.430 3.918 30 20 CHED C=C(C)CCC(=O)O[C@H](C)c1nc2ccccc2o1 1517901887 HVVNMXSVLITUIR-LLVKDONJSA-N 259.305 3.788 30 20 CHED Cc1cc(C#N)nc(N(C)C2CCC(C(C)(C)C)CC2)n1 1458138158 QVERZOCFQKWCBG-UHFFFAOYSA-N 286.423 3.698 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1ccc(OCC#N)cc1 1521188918 GONWBFSTZIZSHN-UHFFFAOYSA-N 298.317 3.543 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(F)c1 1460673889 NMTYFGCHEDGJFF-FZMZJTMJSA-N 274.339 3.852 30 20 CHED COc1ccc(C#N)cc1NCc1ccc2c(c1)C[C@H](C)O2 1461563345 GZNNUTZSXNEKET-LBPRGKRZSA-N 294.354 3.502 30 20 CHED CCCCCCCN1CCOc2cc(C(=O)O)ccc2C1 1605267062 DMPMSROBSBEPJD-UHFFFAOYSA-N 291.391 3.550 30 20 CHED Cc1csc(C(=O)Nc2cc(C#N)c3ccccc3n2)c1 1539551694 WEEVAAGZUKLOSJ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1F 1535455275 JQZPZCJXENDCJG-CHWSQXEVSA-N 274.339 3.852 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(C)c(C)c1 1544995574 RNFUPHOJLREQBL-UHFFFAOYSA-N 292.338 3.630 30 20 CHED N#Cc1cccc(OCCN2CC[C@@H](C3CCCCC3)C2)c1 1619922128 BSYZCTCOHGGNKD-GOSISDBHSA-N 298.430 3.839 30 20 CHED COc1cc(CN2C[C@H](C(C)C)[C@H]2C(C)C)ccc1C#N 1621334771 WDKRORFVRRYZNI-SJLPKXTDSA-N 286.419 3.679 30 20 CHED CC(C)C(C)(C)CNC(=O)Nc1cc(F)cc(C#N)c1 1563172752 UAYBAYJOWRFXSJ-UHFFFAOYSA-N 277.343 3.501 30 20 CHED C[C@@H]1[C@@H](CNC(=O)Nc2sccc2C#N)CCC[C@H]1C 1563024516 MTFQMNLQFIMNHT-NTZNESFSSA-N 291.420 3.814 30 20 CHED C[C@H]1CCC[C@@H](c2noc(-c3cccc(C#N)c3)n2)C1 230997535 SLIPDIPTTFARKA-WCQYABFASA-N 267.332 3.902 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CC1(CC#N)CC1 1652931152 AHVRANSKRATVPK-STQMWFEESA-N 272.367 3.827 30 20 CHED Cc1cc(C)c(/C=C/CN2CCC[C@@H](C#N)C2)cc1C 1653090816 DUMMMWZBGKXHAI-UABRLCRWSA-N 268.404 3.861 30 20 CHED N#Cc1ccc(CNC[C@@H](c2ccccc2)C2CC2)cc1F 1652541701 YCPPBWOZJCLXJE-SFHVURJKSA-N 294.373 3.981 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H]1c1cccc(F)c1 1653512892 SZXMDAYUUFRKSM-DLBZAZTESA-N 266.319 3.837 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCO1 231718815 CRJSKABNUUMOMR-JOYOIKCWSA-N 284.281 3.556 30 20 CHED CC[C@H](C#N)N(CC)C(=O)Cc1cc(Cl)ccc1Cl 1585347321 KEYMVXJKLUJCAC-GFCCVEGCSA-N 299.201 3.687 30 20 CHED Cc1ccc(C=NNc2ccccc2C(=O)O)c(C)c1C 1776031504 JUSJBEHDHDPRNF-UHFFFAOYSA-N 282.343 3.756 30 20 CHED Cc1oc(/C=C\C(=O)c2ccccc2Cl)cc1C(=O)O 1776114921 GCPCICVRNQBWIF-SREVYHEPSA-N 290.702 3.836 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)c(C)c1 1777352137 QWTLHTSHWUQEOR-YHYXMXQVSA-N 296.322 3.598 30 20 CHED CCCc1cc(=O)nc(SCCCCC(C)(C)C#N)[nH]1 233359599 KGKCTIOXINMLMV-UHFFFAOYSA-N 293.436 3.535 30 20 CHED C=CCN(C)C(=O)c1sc(-c2ccccc2)cc1OC 161685171 YICZDNZGQZJZDY-UHFFFAOYSA-N 287.384 3.682 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)c(F)c1)c1cccnc1 162537436 LQQJHAIJJAOUTG-HWKANZROSA-N 293.244 3.718 30 20 CHED N#CCC[C@H](NC(=O)Nc1ccccc1)c1ccccc1 158961534 CUXPINXKNFSKLM-INIZCTEOSA-N 279.343 3.853 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccccc1Cl 151960810 XIIVMAUJHRJPIF-SNVBAGLBSA-N 269.797 3.976 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccnc1-c1ccccc1 152568461 NICDGUSFOUXBFR-AWEZNQCLSA-N 296.370 3.668 30 20 CHED CCCCCCCN1CCC(CC(=O)N2CCCC2)CC1 157586358 JWQHJQAPXJZOBF-UHFFFAOYSA-N 294.483 3.681 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C=CCCC1 157616016 WTNOUFWUOATNJS-QGZVFWFLSA-N 297.402 3.587 30 20 CHED Cc1ccc(C)c(OCCOc2ccccc2C#N)c1 11860361 AZOBMMWSKOVYEQ-UHFFFAOYSA-N 267.328 3.633 30 20 CHED N#Cc1ccc(NCc2ccc3cnccc3c2)cc1 236244368 NSXUWMSZILKHKL-UHFFFAOYSA-N 259.312 3.719 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCC=C(Cl)C2)n1 1307156359 JADGIVFBAOYOSJ-UHFFFAOYSA-N 275.783 3.584 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)C1CC1 138316356 NTUNHNOFLUYXJV-CQSZACIVSA-N 257.377 3.637 30 20 CHED C[C@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 251783765 UAFCAZZBOADJAD-CSFVBSKPSA-N 254.377 3.645 30 20 CHED CC(C)(C#N)CCNC(C)(C)CCc1ccccc1 164841366 DRLMLTQZKFIZQD-UHFFFAOYSA-N 258.409 3.927 30 20 CHED C=C(C)COc1cc(CN[C@@H](C)CC)ccc1OC 57958926 ZEUINYCQDPGQIC-ZDUSSCGKSA-N 263.381 3.538 30 20 CHED CC[C@H](NCc1ccc(C#N)c(F)c1)c1cccs1 192176769 NCUOICFTAZPLOI-AWEZNQCLSA-N 274.364 4.000 30 20 CHED Cc1nc(COc2cc(Cl)cc(C#N)c2)sc1C 310887232 JPBAWQYEVXIVPA-UHFFFAOYSA-N 278.764 3.864 30 20 CHED CCOC(=O)CCCCCOc1ccc(C#N)cc1Cl 83682916 JLIKKALOPSQQRO-UHFFFAOYSA-N 295.766 3.714 30 20 CHED CN(CCCOCc1ccccc1)Cc1ccccc1C#N 343686450 WLEKMUGHTSNURC-UHFFFAOYSA-N 294.398 3.597 30 20 CHED C=C(CC)CNC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C 469766303 DCPLLAGMWPLUKR-IAGOWNOFSA-N 286.463 3.699 30 20 CHED Cc1nc(N[C@@H](C)c2cccc(O)c2)c(Cl)cc1C#N 359909164 YLHUWYRUMLMPRK-VIFPVBQESA-N 287.750 3.794 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)c1n[nH]c(C)n1 392417083 KXCCDUQBSSZBMT-RYUDHWBXSA-N 252.406 3.513 30 20 CHED CCCCCCCCNC(=O)c1ccc([N+](=O)[O-])s1 1758009 UQCPVFYBSWHTLK-UHFFFAOYSA-N 284.381 3.747 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 413386201 JSTGUQCPQWXHPS-TXEJJXNPSA-N 284.281 3.556 30 20 CHED COc1cccc(N/C(N)=N/Cc2c(C)cc(C)cc2C)c1 104165332 XEBPZYVVPYUCNY-UHFFFAOYSA-N 297.402 3.547 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1ccccn1)c1ccc(Cl)s1 175099396 GSQSGTYPVRQGIU-NXEZZACHSA-N 290.775 3.776 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(C)c(OC)c2)c1 55723242 GUTWRYRVTDTBOI-UHFFFAOYSA-N 297.354 3.821 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1ccc(F)cc1F 171350662 HHBMQGCFQFOZEI-ZZXKWVIFSA-N 279.673 3.909 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(SC)ccc2C)c1 103102489 PFCFRTNQAHWWGM-UHFFFAOYSA-N 295.407 3.975 30 20 CHED CC(C)(C#N)CCCSc1ncc2ccccn12 177203010 DZBIRLWIBXKELH-UHFFFAOYSA-N 259.378 3.756 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2(c3ccccc3C)CC2)n1 170709296 SISWAFYNPIRTHB-CYBMUJFWSA-N 296.395 3.668 30 20 CHED C=C(C)CN(C)Cc1cc(C)c(Br)s1 497147624 OQDZRWVQRUCZKO-UHFFFAOYSA-N 274.227 3.827 30 20 CHED CC(C)[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 114779629 ZYDJHGNDTHYIST-HNNXBMFYSA-N 285.391 3.848 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)cc1 174907774 FICJICHNCVPVCL-GASCZTMLSA-N 297.402 3.607 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@H](C)c1ccc(CC)cc1 119124495 CVCJOKMEIURUDK-UONOGXRCSA-N 259.393 3.823 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cccc(-c2ccncc2)c1 119370388 YLWBQWVBGJQLAD-ZIAGYGMSSA-N 252.361 3.974 30 20 CHED N#Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCC2)c1 24732557 AFEGIJMMBAUPBP-UHFFFAOYSA-N 294.329 3.758 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@@H](C)c1c(C)noc1C 179188993 TVNYNCONXBRMCH-LLVKDONJSA-N 297.358 3.604 30 20 CHED Cc1c(C#N)cccc1NC(=O)CSc1ccccc1 178381672 LZLYRYOGHUZZBC-UHFFFAOYSA-N 282.368 3.598 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)c2ccc(OC)cc2)CC1 176439871 CLIXRYUMHHSENF-CQSZACIVSA-N 287.403 3.613 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)S[C@@H](C)C(C)C 172965163 CCSVAJJKARUOEJ-STQMWFEESA-N 257.443 3.577 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3cc(F)ccc32)c1 302193410 CLHFCRVODFENHK-CQSZACIVSA-N 297.289 3.705 30 20 CHED Cc1ccccc1[C@H](NC(=O)NCCCCC#N)C(C)C 171968394 WZFSKJKTJUALHJ-MRXNPFEDSA-N 287.407 3.685 30 20 CHED CCN(CC)C(=S)S[C@H](C)c1ccc(C#N)cc1 118171728 DQACSEGTJUFCSW-LLVKDONJSA-N 278.446 3.979 30 20 CHED C=CCN(CC=C)C(=O)c1cc2ccccc2n1CCC 188442140 QYNVPZXDRWPJSR-UHFFFAOYSA-N 282.387 3.866 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 185724171 MKZVQRFOBGDNAI-BLLLJJGKSA-N 283.375 3.529 30 20 CHED Cc1cccc2c1CC[C@@H]2NCC(C)(C)CCC#N 348198715 OUYGTLPKUMJJCO-INIZCTEOSA-N 256.393 3.902 30 20 CHED C[C@H](NC[C@@H](C)Oc1cccc(F)c1)c1ccc(C#N)cc1 174252065 DVIABQPAQOAGDZ-KGLIPLIRSA-N 298.361 3.815 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](CC)CSC 179954417 JSIKGBXBVKEFIU-HNNXBMFYSA-N 292.448 3.526 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1C 175177086 WXKYZJZCAWJSHX-QWHCGFSZSA-N 285.391 3.750 30 20 CHED C=CCS[C@H]1CCCN(c2ccccc2Cl)C1=O 173825865 NQMCEBHAAOOEDG-ZDUSSCGKSA-N 281.808 3.755 30 20 CHED CSC(C)(C)CNCc1cccc(OCCCC#N)c1 174437865 ULFAAJNOYSVQPM-UHFFFAOYSA-N 292.448 3.600 30 20 CHED C[C@@H](OC(=O)CCOc1ccccc1)c1ccc(C#N)cc1 175789823 JKGLKKHYLCLCJB-CQSZACIVSA-N 295.338 3.632 30 20 CHED C=C[C@H](CC(=O)OCc1cccc(C)n1)c1ccccc1 122461558 JHJHICDDSYGZKD-OAHLLOKOSA-N 281.355 3.793 30 20 CHED CCCC[C@@H](CC)CC(=O)NCc1cccc(C#N)c1 117128676 YUAJJXIIEFRQON-CQSZACIVSA-N 272.392 3.781 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(CC#N)cc2)C1 174714234 DOWOKPVEPQPLBG-ZIAGYGMSSA-N 285.391 3.795 30 20 CHED C[C@H](O)CCc1ccc(OCc2ccc(F)cc2C#N)cc1 171368388 JUQJZAYICTVXKO-ZDUSSCGKSA-N 299.345 3.590 30 20 CHED C[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68764760 VKWJAHYGASFFLA-IEBDPFPHSA-N 297.185 3.515 30 20 CHED N#Cc1ccc(CNCC2(c3cccc(F)c3)CC2)s1 176973792 PATHXDOKTFSBAL-UHFFFAOYSA-N 286.375 3.580 30 20 CHED N#Cc1cc(F)ccc1CSCc1nccn1C(F)F 175296199 DTIXNNYKCXLSNI-UHFFFAOYSA-N 297.305 3.722 30 20 CHED C=CCCC(=O)NCc1ccc(OCc2ccccc2)cc1 60364897 CRPHGLSOEPAFIA-UHFFFAOYSA-N 295.382 3.848 30 20 CHED CCC[C@H](CCc1ccccc1)Nc1ccc(C#N)nn1 302015336 YDBFXKVLSMHDIQ-OAHLLOKOSA-N 280.375 3.562 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc(Cl)s2)CC1 177906442 GXQKLMVMNKNPLV-NSHDSACASA-N 284.856 3.703 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1 354748436 QFSVDUOLYRPXSP-VNHYZAJKSA-N 255.365 3.724 30 20 CHED CCCCCN(C(=O)c1c(F)cc(C#N)cc1F)C(C)C 123015253 RDRAIYIAFRQXPQ-UHFFFAOYSA-N 294.345 3.877 30 20 CHED CCCOc1ccc(CNCc2ccc(C#N)cc2)c(C)c1 188791934 KRTIXWLAGXYFRD-UHFFFAOYSA-N 294.398 3.945 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C 182771637 ZOAHFGJVMAEXMO-LLVKDONJSA-N 291.351 3.770 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cccc(OCC(F)F)c2)C1 185822981 KXKRLNWKPVUCPV-TZMCWYRMSA-N 294.345 3.502 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(Cl)c(Cl)c1 233896582 CWWKWQJCQYFVOV-QMMMGPOBSA-N 271.147 3.527 30 20 CHED C[C@@H](NCC#N)c1ccc(Oc2ccccc2)cc1 181808496 WUNUCHGTIGSSFB-CYBMUJFWSA-N 252.317 3.653 30 20 CHED C=C(C)CN(C)[C@@H](C)c1ncc(-c2ccccc2)o1 181333641 SGJARGKMIHXLAX-ZDUSSCGKSA-N 256.349 3.911 30 20 CHED C=CCCCC(=O)O[C@H](C)c1noc(-c2ccccc2)n1 187662773 LGORXTYSGQEHGE-GFCCVEGCSA-N 286.331 3.697 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cnc2ccccc2c1 214703130 KOJNPGFMPXJCGP-KTKRTIGZSA-N 299.333 3.758 30 20 CHED C=CCCOCC(=O)Nc1ccc(C)c(C(F)(F)F)c1 138395485 HNJKAWPXGSVLEZ-UHFFFAOYSA-N 287.281 3.545 30 20 CHED CO[C@@H](CN[C@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 185846970 XBLQUDMYSZWQHQ-RCBQFDQVSA-N 292.810 3.699 30 20 CHED CC(C)NCc1ccc(-c2ccccc2C#N)cc1 126121732 WULCFVRBBBKHBQ-UHFFFAOYSA-N 250.345 3.723 30 20 CHED CCN(C(=O)[C@H]1CC1(C)C)[C@H](C)c1ccc(C#N)cc1 121218648 INUVUUIEVVAOHR-IUODEOHRSA-N 270.376 3.514 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1 172908186 KKWOUPQXASIKQJ-AWEZNQCLSA-N 262.356 3.505 30 20 CHED CSc1cc(C)ccc1NC(=O)N(C)CC(C)(C)C#N 417212964 IKGFFHHHRZTHDG-UHFFFAOYSA-N 291.420 3.730 30 20 CHED Cc1ccc(S(=O)(=O)CCC2(C#N)CCCCC2)cc1 414213210 TZNNHFKKECPBBZ-UHFFFAOYSA-N 291.416 3.633 30 20 CHED C=CCC1(C(=O)NCCCNC2CCCCC2)CCCC1 419888548 FXXBSLPGQRRGRS-UHFFFAOYSA-N 292.467 3.552 30 20 CHED C=CCOc1ccc(C(=O)N(CC)Cc2occc2C)cc1 412791474 QPEGHKQIPMKEQY-UHFFFAOYSA-N 299.370 3.815 30 20 CHED CC(C)(NCCCCC#N)c1cccc(Cl)c1F 186892505 APGVUGIHUNRJOK-UHFFFAOYSA-N 268.763 3.998 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC2)C1 413824530 CXRCGTUBEGBSQM-QZTJIDSGSA-N 298.430 3.615 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 413468507 HQIOSTNNMKFMEG-KSZLIROESA-N 296.414 3.699 30 20 CHED Cc1ccc(C(=O)OC[C@H](C#N)Cc2ccccc2)c(F)c1 79219486 MAGJTVWXEQPLOC-HNNXBMFYSA-N 297.329 3.673 30 20 CHED CC(C)(C#N)CNC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 502662760 AQTYWDSHNGKUCA-KGLIPLIRSA-N 293.455 3.830 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C(F)(F)F)cc1 44764790 TWQRUOQVJBYETJ-UHFFFAOYSA-N 284.281 3.974 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cccc(Br)c2)C1 185812889 LSQRCTDHSULHPM-FZMZJTMJSA-N 293.208 3.621 30 20 CHED CCCc1ccc(OC)c(Oc2ncc(C#N)cc2F)c1 413261059 IEYIXQUOGPVQQP-UHFFFAOYSA-N 286.306 3.846 30 20 CHED CN(CCC#N)c1nc(C(F)F)nc2ccc(Cl)cc12 413021093 ATHIHERLXCSSNU-UHFFFAOYSA-N 296.708 3.571 30 20 CHED CC(C)(C/N=C(/O)CCc1cnc[nH]1)C1=CCCCC1 329378813 MQZLODVQGHYULU-UHFFFAOYSA-N 275.396 3.825 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCC(F)(F)C1 507880636 QIWWTEVVOJXDGH-CHWSQXEVSA-N 286.366 3.562 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ncc(Br)s1 129639640 WYECJMIHUWDWLJ-SFYZADRCSA-N 275.215 3.521 30 20 CHED Cc1ccc(Br)cc1NCC1(CC#N)CC1 83853829 XVGAGGPCDJVDGS-UHFFFAOYSA-N 279.181 3.863 30 20 CHED CC[C@H](c1ccccc1OC)N(C)c1ncc(C#N)cc1F 413295911 HGVCFYMPGVVNPT-OAHLLOKOSA-N 299.349 3.688 30 20 CHED COC(=O)[C@@H](Nc1cc(C)cc(C)c1)c1cccc(C#N)c1 83029195 UHPHPIKNMAUWLS-KRWDZBQOSA-N 294.354 3.501 30 20 CHED O/C(=N/Cc1nccs1)c1coc(C2CCCCC2)n1 328729432 FNBIYLITJADMRT-UHFFFAOYSA-N 291.376 3.684 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1csc(C(C)(C)C)n1 424744904 JKPOWMDUUIEFRB-UHFFFAOYSA-N 294.464 3.702 30 20 CHED CC1(C)[C@H](N[C@@H]2CC[C@H](C#N)C2)C[C@H]1OCc1ccccc1 424334429 VNHHWFDVPZDTTQ-BSDSXHPESA-N 298.430 3.652 30 20 CHED OC(=Nc1cccc2c1OCCC2)c1ncoc1C1CC1 328935906 QNTGXTFZVIPSRD-UHFFFAOYSA-N 284.315 3.513 30 20 CHED C[C@H]1CCCC[C@H]1OCC(O)=Nc1ccc2nc[nH]c2c1 329258101 CEODGYQVFQEJCW-XHDPSFHLSA-N 287.363 3.746 30 20 CHED C=CCc1ccccc1OCc1ccc(OC)c([N+](=O)[O-])c1 515588637 FOXZXSYDXFIAMU-UHFFFAOYSA-N 299.326 3.911 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H](C)C(C)(C)C#N)coc2c1 130485988 VPIVEUIUDRZGAW-LBPRGKRZSA-N 285.343 3.765 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1cccc(F)c1 48625026 PSTIOPGZGGROLI-GQCTYLIASA-N 268.287 3.657 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(O)cc(OC)c1)c1ccccc1 428019258 AGBPOVSFDNSDRM-QGZVFWFLSA-N 297.354 3.699 30 20 CHED Cc1nc(C)c(C/N=C(/O)c2sccc2C2CC2)o1 329165827 HRVUANVKHNBPRU-UHFFFAOYSA-N 276.361 3.735 30 20 CHED CC(C)c1ccc(S(=O)(=O)Cc2ccc(C#N)cc2)cc1 47642881 LEJIAVQEIKQFLJ-UHFFFAOYSA-N 299.395 3.656 30 20 CHED CCC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 424962930 BRBCZZXRBAHJOL-XJKSGUPXSA-N 284.403 3.796 30 20 CHED Cc1cc(Cl)c(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1Cl 334542709 YOMHHRBISGKANG-ISVAXAHUSA-N 283.158 3.790 30 20 CHED C[C@@H]1CC(CCN2CCC(F)(C#N)CC2)C[C@@H](C)C1 510950194 UALDDQCRDKKVMB-KBPBESRZSA-N 266.404 3.776 30 20 CHED Cc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)s1 335307373 ZZMBNUGILBTXHS-UHFFFAOYSA-N 297.427 3.509 30 20 CHED Cc1oc(C(C)C)cc1/C(O)=N/[C@H](CO)CC1CCCC1 330611943 WMMOTRJFCCEFIP-AWEZNQCLSA-N 293.407 3.957 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2ccc(CC#N)cc2)c1 335826139 CHBFNMKRWYCRRC-UHFFFAOYSA-N 278.355 3.646 30 20 CHED C=CC[C@@H](C)NC(=O)NCCCc1cccc(Cl)c1 515248266 OPSUSUSTYJZOHD-GFCCVEGCSA-N 280.799 3.536 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 515642067 NEUPKRRYVFQKSF-CYBMUJFWSA-N 293.794 3.616 30 20 CHED CC(C)c1nc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cs1 424334551 VURXEJAUGFKQTP-GRYCIOLGSA-N 263.410 3.609 30 20 CHED C=C1CCN(C(=O)C2(c3cccc(OC)c3)CCCC2)CC1 518694045 DEDKTHHXPYUSBA-UHFFFAOYSA-N 299.414 3.686 30 20 CHED C=C(C)C[C@@H](C)c1nc([C@@H](C)c2nccs2)no1 424351479 DJDQTJWUAIPVIC-NXEZZACHSA-N 263.366 3.748 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](C#N)C(C)C)cc1 429081783 QKMGEVJLDVGKET-WMLDXEAASA-N 286.419 3.653 30 20 CHED N#C[C@@H]1CC[C@H](NC2(c3cccc(Cl)c3)CC2)C1 335880805 YNIAXHOMAKJIAD-RISCZKNCSA-N 260.768 3.611 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(C#N)c(Cl)c1 435597382 JCXJEMWQYYZMGL-IUODEOHRSA-N 276.767 3.605 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)NCC#Cc2cccc(F)c2)C1 513213405 FDQXMLRNRDOSIU-ZBFHGGJFSA-N 287.378 3.510 30 20 CHED Cc1cc(OCc2ccc(-n3cccn3)cc2)ccc1C#N 434650424 MTMZTFOPQWEEAX-UHFFFAOYSA-N 289.338 3.631 30 20 CHED C=CCNC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 438974571 PDQULFJCNOPKBC-QGZVFWFLSA-N 286.419 3.617 30 20 CHED CC[C@H](C)C[C@H](C)N/C(O)=N/CC1CCC(C#N)CC1 331288586 JGTWTJGTAVAWQH-HESLUPGFSA-N 279.428 3.645 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cn(C)nc1-c1ccccc1 92850534 SQPMSAZDZYVOQO-CMDGGOBGSA-N 292.338 3.885 30 20 CHED COc1ccc2c(c1)[C@H](NCC1(CC#N)CC1)CCS2 430763986 QXEAZAVMDUVPCQ-CQSZACIVSA-N 288.416 3.516 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)C2(c3cccc(C#N)c3)CC2)C1 435041451 ITLKCWPMXFBSGZ-WMLDXEAASA-N 296.414 3.627 30 20 CHED N#Cc1ccnc(NCc2ccc(Cl)cc2Cl)c1 341297808 UWJQPDSGDXUBFL-UHFFFAOYSA-N 278.142 3.872 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2ccc(CC#N)cc2)c1 340626196 NDNFDCQZJHTOIZ-UHFFFAOYSA-N 293.370 3.725 30 20 CHED Cc1ccc(C#N)c(N2Cc3ccccc3C(C)(C)C2)n1 346839554 QPANKHGNXZZRTC-UHFFFAOYSA-N 277.371 3.560 30 20 CHED COc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 341758488 PVLHSVWIRKTPKF-IBGZPJMESA-N 292.382 3.734 30 20 CHED C=CCN(CCC#N)Cc1cnc(-c2cccs2)s1 430102168 XRZAFLXIRPVETQ-UHFFFAOYSA-N 289.429 3.773 30 20 CHED Cc1occc1S[C@H](C)C(=O)Nc1ccccc1C#N 181283083 WMVNJEAMXRLCEG-LLVKDONJSA-N 286.356 3.579 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](CC)c1ccccc1 431658006 FVYSNJHQTWFCTG-CQSZACIVSA-N 259.393 3.899 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccn1CCC(C)C 435744299 DXHMGWJGPHCAJW-AEFFLSMTSA-N 290.451 3.605 30 20 CHED N#Cc1ccccc1CN1CCN(C2CC2)c2ccccc21 346554862 WJJIIVYOVOEXKJ-UHFFFAOYSA-N 289.382 3.547 30 20 CHED CCCCCC(=O)N(Cc1ccc(C#N)cc1)C(C)C 248264073 NOXGKBJSEANFOW-UHFFFAOYSA-N 272.392 3.876 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OCC(C)C)nc1 523984917 UVNMAQKXFRLWCG-UHFFFAOYSA-N 291.395 3.546 30 20 CHED CC[C@@H](C)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 248224198 IQLAGVHVRVFZNA-CHWSQXEVSA-N 258.365 3.514 30 20 CHED C=C(C)CS(=O)(=O)N[C@H](c1ccccc1C)C(C)(C)C 435436727 HKORXNAFIPRZMG-OAHLLOKOSA-N 295.448 3.578 30 20 CHED C=C(C)CN(CC)C(=O)CSC/C=C/c1ccccc1 603772443 ODAVRYQMDLQSDH-DHZHZOJOSA-N 289.444 3.858 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCC(=O)c2ccccc21 340007560 ZXHAORPNNRAVQO-XJKSGUPXSA-N 285.387 3.608 30 20 CHED N#Cc1ccnc(NCC2(c3ccc(F)cc3)CCC2)c1 341848292 XUXNYPVPOVZTCX-UHFFFAOYSA-N 281.334 3.626 30 20 CHED N#Cc1ccc(C2=CCN(CCCCCF)CC2)cc1 341901293 CFUBJEPCUZBSKL-UHFFFAOYSA-N 272.367 3.787 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@H]2c2cccc(Cl)c2)c1 343044997 JPSPGCIVRXGZMI-KBPBESRZSA-N 269.735 3.575 30 20 CHED C=CCCCC(=O)N1[C@H]2CC[C@H]1c1cnc(C(C)C)nc1C2 529659443 RFXZKOUCLCMKCN-BBRMVZONSA-N 299.418 3.545 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCCCCC(C)(C)C 602537533 DVJBYCILKRYWLY-OAHLLOKOSA-N 280.456 3.891 30 20 CHED Cc1ccccc1[C@H](C)c1noc(CC(C)(C)C#N)n1 346756697 ULDLTQWBHBMJDU-LBPRGKRZSA-N 269.348 3.622 30 20 CHED N#C[C@@H]1CC[C@@H](n2cc(-c3cccc4c3CCCC4)nn2)C1 600812795 GBMOWBLXVRSNDR-UKRRQHHQSA-N 292.386 3.689 30 20 CHED COc1ccccc1[C@H]1CCCCN1CCCCC#N 609280634 HYDFUFDAAYTLRX-MRXNPFEDSA-N 272.392 3.916 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 254495804 QVQLMISDLIDBFU-UHFFFAOYSA-N 269.304 3.739 30 20 CHED C=CCC1(C(=O)NCCC(F)(F)F)CCCCC1 449996917 RHAGKIAPDPOEBJ-UHFFFAOYSA-N 263.303 3.582 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)ccc2F)CC(C)(C)C1 543182052 NFUNXMGACMALNJ-LBPRGKRZSA-N 260.356 3.565 30 20 CHED C=CC1CCN(C(=O)/C=C\c2nc3ccccc3s2)CC1 255053838 VJPRGQCZBYKSLY-FPLPWBNLSA-N 298.411 3.734 30 20 CHED COc1cccc2c(CN(CCC#N)CC3CC3)cccc12 449021052 BLNOIMGJQVBFTJ-UHFFFAOYSA-N 294.398 3.974 30 20 CHED N#CC[C@H](CC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 355464690 MHAYWYMXAXUDOO-DZJNRPSUSA-N 296.414 3.626 30 20 CHED C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1CC#N 441064943 INKXQKCAJJOGAW-DNVCBOLYSA-N 276.383 3.589 30 20 CHED Cc1ccc(-c2ccc(NC[C@H]3CCCO3)nc2)c(C#N)c1 600775395 HZEHOVMMZZFVEO-MRXNPFEDSA-N 293.370 3.520 30 20 CHED Cc1ccc(CSCCNC[C@@H](C)CCC#N)cc1 602507931 LYLPIQPTUHTMBE-HNNXBMFYSA-N 276.449 3.758 30 20 CHED CC(C)OCc1cccc(NC[C@H](C)CCC#N)c1 602488291 SUMQTEJRKNRCSQ-CQSZACIVSA-N 260.381 3.963 30 20 CHED CCC[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccn1 609199266 AFHGMGGXRKUIKG-INIZCTEOSA-N 294.358 3.616 30 20 CHED C=C(C)CCNC(=O)CCSc1ccc(C)cc1 448551232 XCPHYVCXMVKRTI-UHFFFAOYSA-N 263.406 3.560 30 20 CHED C[C@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C(C)(C)C1 269740775 XAERFELQPFZNNA-ZBFHGGJFSA-N 299.418 3.861 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CCc2cc(C#N)ccc21 618806884 SICHJRYYHRDNBW-CSMYWGQOSA-N 268.404 3.960 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(C3CC3)on2)c1 263895580 ZFMUMALVIBAVNA-UHFFFAOYSA-N 298.342 3.759 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C1(C)C 611527064 PHILJIDNGHDNAU-PBFPGSCMSA-N 276.424 3.669 30 20 CHED C=CCCCN[C@@](C)(CC)COc1ncccc1Cl 537678841 VIVJDXAJXNTCDR-HNNXBMFYSA-N 282.815 3.838 30 20 CHED Cc1ccc2c(c1)N(C[C@@H](C)CCC#N)C[C@@H](C)O2 619568574 AJFLUSCDDMCJGF-UONOGXRCSA-N 258.365 3.522 30 20 CHED C=CCCNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 617615973 DXHWMFBZIJKPQW-LLVKDONJSA-N 285.309 3.576 30 20 CHED C=CCN1CC=C(c2c[nH]c3cc(C)ccc23)CC1 533028551 ZAFDSDOCGHGZJO-UHFFFAOYSA-N 252.361 3.751 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cc2cc(Cl)ccc2o1 538407209 PAJCCHQKXSUUOH-NWDGAFQWSA-N 293.794 3.921 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H]1CC[C@H](C)C1 352572952 OMCLXTOPIYORAM-GJZGRUSLSA-N 275.392 3.663 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)c(Cl)c(C)c1 442475483 LLQIFWYIBBNRRJ-UHFFFAOYSA-N 266.772 3.997 30 20 CHED CCN(Cc1ccccc1C)Cc1cc(C#N)ccc1OC 448518519 DJFJQZKFLBQDGO-UHFFFAOYSA-N 294.398 3.897 30 20 CHED C[C@H](CCN(CCC#N)CC1CC1)OCc1ccccc1 354863675 XZKVJEMCXAOZDM-MRXNPFEDSA-N 286.419 3.607 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618827677 MPKZXFQCANVQKZ-CXAGYDPISA-N 297.402 3.590 30 20 CHED N#CCCC[S@@](=O)Cc1ccc(C2CCC2)cc1 447121392 QSRIXLGMWSGSAW-GOSISDBHSA-N 261.390 3.507 30 20 CHED CC(C)[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 442884224 GRFLCZMCHKLMAX-YOEHRIQHSA-N 256.393 3.987 30 20 CHED C=C[C@H](Nc1ccccc1COC(C)(C)CC)C(=O)OC 619734387 HFWPORLEOMYBAM-AWEZNQCLSA-N 291.391 3.531 30 20 CHED CC(C)Oc1ccc(CCN[C@@H]2CCC[C@H](C#N)C2)cc1 613255293 XDHBCFUVRYJEFA-DLBZAZTESA-N 286.419 3.688 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@]2(CCSC2)C1 451962039 FHMGGRGEUYVRPK-RHSMWYFYSA-N 286.444 3.838 30 20 CHED C=CCN(CC=C)C(=O)c1cc(F)ccc1-c1ccoc1 361450440 VIMADMSULPFZRN-UHFFFAOYSA-N 285.318 3.900 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ncsc2C(C)C)C1 617778238 AVUQHSQQTAIRMO-GFCCVEGCSA-N 278.421 3.695 30 20 CHED CC(C)OC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 531164480 ZBNBCXDTFJEJFN-AWEZNQCLSA-N 272.392 3.509 30 20 CHED COC(=O)c1cccc(CNc2c(C)cccc2C)c1C#N 535137898 KOZVASOOGLGJDT-UHFFFAOYSA-N 294.354 3.574 30 20 CHED C=C(CC)CNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 455535194 LBXOZHGWTFESPR-GOEBONIOSA-N 272.392 3.745 30 20 CHED C=CCC1(C(=O)N(C)CCc2nccs2)CCCCC1 450217162 PILPPLHMHCPWSZ-UHFFFAOYSA-N 292.448 3.671 30 20 CHED COc1ccc([C@H](NCCC(C)(C)C#N)C(C)C)cc1 272026482 OAGXISVCLYFQFX-MRXNPFEDSA-N 274.408 3.922 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)C1(C#N)CCCCC1 452552493 UDHAZQHECIVCQD-CQSZACIVSA-N 262.397 3.712 30 20 CHED CCCN(CC1CC1)C(=O)c1ccc(C(C)(C)C#N)cc1 279734452 WKKDVAGINBXNJM-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C=C(C)CCNC(=O)CCC(C)(C)c1ccccc1 452718862 RFZARCWBBFQCIP-UHFFFAOYSA-N 259.393 3.827 30 20 CHED C=CC(C)(C)CNC(=O)CCC(=O)c1cc(C)sc1C 452779402 SOFGJGCSPRMVDE-UHFFFAOYSA-N 293.432 3.656 30 20 CHED Cc1ccc(-c2cccnc2)cc1NC(=O)CC(C)(C)C#N 366590135 LGNHYKXNMRDDPG-UHFFFAOYSA-N 293.370 3.935 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(C)ccc1C 453333058 CYJAKTUOKGFBSP-UAGQMJEPSA-N 259.393 3.688 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)COC(C)(C)CC 457500986 XOEWVIXKCRRXDD-UHFFFAOYSA-N 293.382 3.546 30 20 CHED C=CCC1(C(=O)N2CCO[C@@H](c3ccccc3C)C2)CCC1 364193700 DXVKKZUDKRSXND-QGZVFWFLSA-N 299.414 3.641 30 20 CHED N#Cc1ccc(NC(=O)c2occ3c2CCC3)cc1Cl 360923876 MUJXGYDSXBAQFI-UHFFFAOYSA-N 286.718 3.546 30 20 CHED Cc1ccc(Oc2ccccc2NC(=O)NCCC#N)cc1 362950215 ZIYNNNNJIJRIAW-UHFFFAOYSA-N 295.342 3.823 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 548290624 YGXVEKGEZTVGOU-SMDDNHRTSA-N 290.794 3.910 30 20 CHED C=CCSCCN[C@H]1CCCCc2cc(C#N)ccc21 360656766 KJFCWBWESODQBS-KRWDZBQOSA-N 286.444 3.835 30 20 CHED C=CCC[C@H](C)NC[C@@H]1CCO[C@H]1c1ccccc1 277151951 QIQIYUUKIKOABK-XIRDDKMYSA-N 259.393 3.709 30 20 CHED C=CCN(C(=O)Nc1cc(C)ccc1Cl)C1CC1 271358344 FCVFVUGFOISKHW-UHFFFAOYSA-N 264.756 3.831 30 20 CHED CC(C)(C#N)c1nc(Cc2ccc(Cl)cc2Cl)no1 273640737 BUIWYYTYZXGPEA-UHFFFAOYSA-N 296.157 3.768 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2c(F)cccc2OC(F)F)C1 274237583 VBGHOGTVNLEAGB-WDEREUQCSA-N 298.308 3.599 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cn(C)nc1C(C)(C)C 271842493 REPFJIXWQYXQPI-BQYQJAHWSA-N 297.402 3.571 30 20 CHED CCc1cnccc1[C@@H](C)NCC#Cc1ccc(Cl)cc1 541193299 GIROIWVVRVJWLZ-CQSZACIVSA-N 298.817 4.000 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 466390782 DKDLWSNBZAIYQC-XIRDDKMYSA-N 286.419 3.929 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 544444434 FJSAYACSJVPORI-JRPNMDOOSA-N 290.794 3.766 30 20 CHED C=CCC[C@H](C(=O)N(C)CCCSC)c1ccccc1 466771721 NNJIEIAYCQPULN-INIZCTEOSA-N 291.460 3.948 30 20 CHED N#Cc1cccc(C2(NC3CCC(C(F)F)CC3)CC2)c1 282182022 FSFCXDVBRRKNDJ-UHFFFAOYSA-N 290.357 3.961 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC1CCC1)CC1CC1 466377777 WEADXQJRAAUPCL-OAHLLOKOSA-N 264.413 3.563 30 20 CHED C=CCC(CC=C)c1nc([C@H](C)C(=O)OC(C)(C)C)no1 281015099 YWGXTDXIJWQOHS-NSHDSACASA-N 292.379 3.751 30 20 CHED C#CC[C@@H](N[C@H](C)c1cc(OC)ncc1F)c1ccccc1 287633360 KMXHFIFTQRFRQQ-CXAGYDPISA-N 298.361 3.645 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@H]1C(C)C 460563907 KVSQMLCCRACTAC-CABCVRRESA-N 290.455 3.993 30 20 CHED C=CCCCNCc1nc2cc(Br)ccc2o1 639119471 QYUAYYMIMGKXNC-UHFFFAOYSA-N 295.180 3.646 30 20 CHED C=CCC(F)(F)c1nc(-c2nccc3ccccc23)no1 550955146 AXDNALWZLNJQMN-UHFFFAOYSA-N 287.269 3.953 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C#N)c(Cl)c1 558471982 GCLBXPCBXZYHLK-UHFFFAOYSA-N 276.767 3.544 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCCC1CCCC1 464163382 IXSWRPJUJSMLDQ-INIZCTEOSA-N 264.413 3.791 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 465655624 INPPIWCQVWNPCR-RBSFLKMASA-N 299.418 3.839 30 20 CHED Cc1ccc(CNc2nc3cc(Cl)ccn3c2C#N)cc1 557470538 NGQSUWSVWXMXJW-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCCCN2CCCC)CC1 475461266 XUKCOZRMKKEWEE-MRXNPFEDSA-N 292.467 3.504 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc(OC(F)F)c(F)c2)C1 293840212 XSCYEEXSAVRALX-ZYHUDNBSSA-N 298.308 3.599 30 20 CHED C#CC[C@@H](NC(=O)CC[C@H](C)CC)c1ccccc1 802887055 WKCSYJRQGOHHOU-GDBMZVCRSA-N 257.377 3.694 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccc(CC)s2)cc1 809257508 LFVIZKOSEYPQPY-OAHLLOKOSA-N 298.411 3.868 30 20 CHED CC(C)(O)c1ccc(C=NNc2cccc(F)c2F)cc1 807973525 DUJXOICUJPCTBG-UHFFFAOYSA-N 290.313 3.638 30 20 CHED COc1cc(CNCc2ccc(C(C)C)cc2)ccc1C#N 389808174 QIMBQUPIZDDHLD-UHFFFAOYSA-N 294.398 3.980 30 20 CHED C=CCC1(C(=O)NCc2c(C)cc(C)cc2C)CCC1 478079428 NFEQZWRORKDWSR-UHFFFAOYSA-N 271.404 3.974 30 20 CHED CC[C@H](C)CCC(=O)OCc1cccc(C#N)c1F 803880080 GUYVUPQCLBTAQK-NSHDSACASA-N 263.312 3.567 30 20 CHED CC(C)(C#N)CCCNc1ccc([C@@H]2CCOC2)cc1 297851409 SWOMAWSCKRSWHX-OAHLLOKOSA-N 272.392 3.932 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2CCCc3ccc(F)cc32)C1 475495872 UISDPBRLRHYIIJ-MJEQTWJJSA-N 272.367 3.875 30 20 CHED Cc1ccc(NN=C2C[C@@H](C)c3ccccc32)nc1 807968900 FHRUJHONCSUAOF-GFCCVEGCSA-N 251.333 3.713 30 20 CHED C=CCOCCCOc1cccc(OC(F)(F)F)c1 478794181 LICURKCPRHBZLK-UHFFFAOYSA-N 276.254 3.557 30 20 CHED C=CCOCCCN1C[C@@H](C)C[C@H]1c1cccc(OC)c1 470763905 DQADEDRXGDHAOI-YJBOKZPZSA-N 289.419 3.671 30 20 CHED C#Cc1ccc(CN[C@H](C)c2cccc(OCC)c2)cc1 809611490 DYYNHKKELXFOOZ-OAHLLOKOSA-N 279.383 3.917 30 20 CHED Cc1ccsc1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 647371550 SWPVEHDNQURACK-JTQLQIEISA-N 288.397 3.881 30 20 CHED C=CCCC(=O)N(C)c1ccc(C)cc1Br 291728880 REXMPWKRWPEHPP-UHFFFAOYSA-N 282.181 3.687 30 20 CHED COc1cccc2cc(CNc3cc(C#N)cc(C)n3)oc12 804428174 NNMPHAPUANMVPY-UHFFFAOYSA-N 293.326 3.629 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)Cc1ccco1 294379894 BUOAOSKMOLSTNC-ZBFHGGJFSA-N 288.391 3.738 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2nn(C(C)C)cc2c1 806310843 FCVIMXGJCBUBQN-AWEZNQCLSA-N 298.390 3.541 30 20 CHED c1ccc2c(c1)C(=NN[C@H]1CCSC1)c1ccccc1-2 808000150 FQAUELSNXQDIMP-LBPRGKRZSA-N 280.396 3.515 30 20 CHED CC#CC(=O)Nc1ccc(SC2CCCC2)cc1 801130923 JGVUHSBLKRDDFA-UHFFFAOYSA-N 259.374 3.683 30 20 CHED CC1(Nc2nc(Cl)c(C#N)s2)Cc2ccccc2C1 804588376 VNFQVISTHPBCBJ-UHFFFAOYSA-N 289.791 3.638 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(SC)c1 809941692 GKBKOZMFDSBXNN-UHFFFAOYSA-N 281.380 3.571 30 20 CHED CCCCN(C(=O)CC(C)(C)C#N)C1CCCCC1 564083944 PPMHXLPSQJRNRH-UHFFFAOYSA-N 264.413 3.888 30 20 CHED CC#CCCCc1nc(-c2ccc(Cl)s2)no1 561916992 NTALUOMNPZOCOH-UHFFFAOYSA-N 266.753 3.798 30 20 CHED C=CCCCCCCNC(=O)c1c(F)ccc(F)c1OC 805220802 GAWQMQBOFRDXIP-UHFFFAOYSA-N 297.345 3.840 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(O)nc(C(C)C)c2)n1 645627097 BVQNZVALRRZDFI-UHFFFAOYSA-N 287.363 3.814 30 20 CHED N#C[C@@H](C(=O)C=C1CCCC1)c1cc(C(F)(F)F)ccn1 813218475 PMIBPJYUCDCDJB-GFCCVEGCSA-N 294.276 3.777 30 20 CHED C[C@H]1C(=NNc2cccc3ncccc23)CC[C@H]1CC(=O)O 814804545 UMEWMGMAPGYNTL-NEPJUHHUSA-N 297.358 3.524 30 20 CHED CCc1cccc(NC(=O)c2ccc(C#N)cc2)c1CC 489502980 ZUJGRLKIEYOPSC-UHFFFAOYSA-N 278.355 3.935 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] 568236638 QQXUKDHVLRNZBW-BXUZGUMPSA-N 260.337 3.526 30 20 CHED CCCC[C@H](CCC)NC(=O)c1cccc(F)c1C#N 489678709 XHKMMVSVYQMGSV-LBPRGKRZSA-N 276.355 3.786 30 20 CHED CC[C@@H](CNC(=O)c1cccc(F)c1C#N)c1ccccc1 487764659 YUAKMHDYTAMXIL-ZDUSSCGKSA-N 296.345 3.621 30 20 CHED Cc1cccc(C)c1C=NN[C@H](C)COc1ccccc1 811667744 CFZBJPAIMQYRMA-MRXNPFEDSA-N 282.387 3.694 30 20 CHED Cc1c(-c2noc(CC(C)(C)C#N)n2)oc2ccccc12 570760798 PMVRRPSBVVVOHH-UHFFFAOYSA-N 281.315 3.884 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc(OC)c(O)c2)c1 811696686 GQLYWAUYSSEZGO-VQHVLOKHSA-N 298.338 3.696 30 20 CHED Cc1ccc2c(c1)SCC2=NN[C@@H](C)c1ccncc1 819816869 QVESJDACGMCRII-LBPRGKRZSA-N 283.400 3.551 30 20 CHED COC[C@H](C)NN=C1CCCC[C@H]1C1=CCCCC1 814895869 XXSQQAGNKIQHJW-ZFWWWQNUSA-N 264.413 3.658 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@@H](c3ccccc3F)C2)cn1 481088739 JQXIXPAUYMSSKR-OLZOCXBDSA-N 281.334 3.841 30 20 CHED N#CCC1(OC(=O)/C=C\c2ccc3ccccc3n2)CCC1 810858536 BDUMONMBOPUUHL-HJWRWDBZSA-N 292.338 3.628 30 20 CHED CCC1(CC)CCN(C(=O)NCC#Cc2ccccc2)CC1 486152828 YSMXKFBQMJXRTR-UHFFFAOYSA-N 298.430 3.650 30 20 CHED Cc1ccc(C[C@H](C)Nc2cccnc2C#N)c(C)c1 578944515 GVRWYDXEXXQEKU-AWEZNQCLSA-N 265.360 3.613 30 20 CHED Fc1cc(NN=Cc2nc3c(s2)CCC3)ccc1Cl 814862414 MNDCKWUBPZHVRN-UHFFFAOYSA-N 295.770 3.870 30 20 CHED COc1cccc(O)c1C=Nc1ccc(C)cc1C 812388220 YIJYPZDBDKIGDA-UHFFFAOYSA-N 255.317 3.768 30 20 CHED Clc1cccc(NN=C2CCCc3sccc32)n1 814939065 CNULQEINTFLRSP-UHFFFAOYSA-N 277.780 3.949 30 20 CHED Cc1c(NN=Cc2ccc(F)cc2F)cccc1[N+](=O)[O-] 727972710 DXGCUICEDICWGW-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C=C1[C@@H](OC(=O)c2coc(C3CC3)n2)C[C@H]2C[C@@H]1C2(C)C 813092257 IIFQIJASBIWVTC-DYEKYZERSA-N 287.359 3.700 30 20 CHED Cc1nc(N2CC=C(c3ccc(F)cc3)CC2)ccc1C#N 487943218 QUIFXWHIXJGKQZ-UHFFFAOYSA-N 293.345 3.695 30 20 CHED N#CCCC1CCN(Cc2nc(C3CC3)cs2)CC1 571794833 HXOHPGYUFLJFPU-UHFFFAOYSA-N 275.421 3.536 30 20 CHED N#Cc1c(C(F)F)cccc1N1C[C@H]2CCC[C@@H]2C1 574305321 ITXLBAMEMIYGJY-GHMZBOCLSA-N 262.303 3.732 30 20 CHED CN(CCC1CCCCC1)C(=O)c1cc(C#N)ccc1F 825283751 RKSHPMIDGXQMKA-UHFFFAOYSA-N 288.366 3.740 30 20 CHED CC(C)CCc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1 574245391 ZJSSCOIVHSTAIO-SUMWQHHRSA-N 270.376 3.763 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(OC)c(NC(N)=O)c1 824302194 QZSCDHOEVOTJPM-LBPRGKRZSA-N 291.395 3.733 30 20 CHED C=C(C)CNC(=O)c1ccc(Nc2nc(C)cs2)cc1 574207957 XWABNPZJHVBZBU-UHFFFAOYSA-N 287.388 3.501 30 20 CHED C=CC(C)(C)COC(=O)Cc1nsc2ccccc12 821311163 RWPTUDAAEVRFOI-UHFFFAOYSA-N 275.373 3.594 30 20 CHED CCOc1cccc([C@@H](C)NC(=O)CCCCCC#N)c1 588154755 MLPVELDETGKBGY-CQSZACIVSA-N 288.391 3.737 30 20 CHED C#C[C@H](NCc1ncc(CC)s1)c1ccc(Cl)cc1 491628434 KRKGWXLBZGZYMC-AWEZNQCLSA-N 290.819 3.823 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(C(C)(C)C)co1 582733613 JBWYGGILQBEWFT-CQSZACIVSA-N 250.342 3.513 30 20 CHED C#CCCCOC(=O)/C=C\c1ccccc1O[C@H](C)CC 729889758 POICCWHFTKIQIV-WIDZWVOGSA-N 286.371 3.834 30 20 CHED CC[C@@H](N[C@@H]1CCCC[C@H]1OC)c1cccc(C#N)c1 903042304 VJCPJTKHIWQDJY-BRWVUGGUSA-N 272.392 3.557 30 20 CHED CC[C@H](NC1CCC(O)(CC)CC1)c1cccc(C#N)c1 902848870 CDXOLTFSTSQBTE-ADKAHSJRSA-N 286.419 3.683 30 20 CHED CCCCCCCCCOC(=O)c1ncoc1C 733526987 WCVBVBJWFGTLNN-UHFFFAOYSA-N 253.342 3.890 30 20 CHED C=CC(C)(C)CNCc1ccc2c(c1)COC(C)(C)O2 824790034 JVZNFECWJYZBAU-UHFFFAOYSA-N 275.392 3.634 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 735171423 CACXWFSSHSYPSO-GFCCVEGCSA-N 293.386 3.756 30 20 CHED CC[C@@](C)(NC(=O)c1cccc(CC#N)c1)c1ccccc1 730764248 JGCJPXCLQDQPGO-LJQANCHMSA-N 292.382 3.808 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc2ccncc12 131527851 INVAXIHJBXGPFL-UHFFFAOYSA-N 267.332 3.503 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H](F)C2)c(C(F)(F)F)c1 584045495 RILGYIBNFWTCBW-NXEZZACHSA-N 272.245 3.880 30 20 CHED C=CC1CCN(Cc2c(O)ccc3ccccc23)CC1 732181532 XWVKPPORRJIFOE-UHFFFAOYSA-N 267.372 3.943 30 20 CHED C#CC[C@@H](NC(=O)N[C@]1(C)CC=CCC1)c1ccccc1 838535007 LGMGQZYCKDKDJH-SJLPKXTDSA-N 282.387 3.549 30 20 CHED C#CCC[C@@H](C)OC(=O)CCc1ccc(OC(F)F)cc1 839033264 BRUIHCCSSMNKHV-GFCCVEGCSA-N 296.313 3.566 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(F)cc2C)cc1 731322279 VGSOWGMSMDESMP-YHYXMXQVSA-N 297.329 3.989 30 20 CHED CCC(COC)=NNC(=S)Nc1ccccc1C(C)C 735971760 VNGYEOLSVSBUGK-UHFFFAOYSA-N 293.436 3.509 30 20 CHED C=CCN(C(=O)Nc1cccc(-c2nccn2C)c1)C(C)C 736973120 KCMNQDAAVOGORX-UHFFFAOYSA-N 298.390 3.515 30 20 CHED Cc1nc(/C=C/C(=O)c2ccc(OC(C)C)cc2)[nH]c1C 901437075 BCPQHLKGZOLBFE-MDZDMXLPSA-N 284.359 3.710 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 736399731 AWTMCTJRCYGEMJ-LBPRGKRZSA-N 292.810 3.678 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnc(C(F)(F)F)cc1C 905677320 FVUUDCPFUPPJOG-SNVBAGLBSA-N 286.297 3.950 30 20 CHED C#CCCCC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 839832634 ZBBLZUHTNZPXDS-GOEBONIOSA-N 289.806 3.896 30 20 CHED Cc1cccc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)c1 730086045 XRDRVMRKXQPEJE-CMDGGOBGSA-N 290.366 3.819 30 20 CHED CC1(C)CCc2cc(C=NNc3ccc(F)cn3)ccc2O1 731319758 YOIAZOQCSUOXSC-UHFFFAOYSA-N 299.349 3.770 30 20 CHED CC1(C)OCC[C@H]1NN=C1CCC(c2ccccc2)CC1 835014293 FBCPJAGATFMKCE-OMOCHNIRSA-N 286.419 3.857 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2CSc3ccccc32)c1 735414888 MVECHABXERBYEH-DUPVFGOHSA-N 285.368 3.667 30 20 CHED Cc1csc([C@H](C#N)C(=O)CCCCC(C)C)n1 838783953 LMFJNHFMFAPDFU-GFCCVEGCSA-N 264.394 3.844 30 20 CHED CCCCCCCCC(=O)N1C[C@@H](C)O[C@H](CC)C1 732145343 AYBCSSHSDKTTBO-HUUCEWRRSA-N 269.429 3.763 30 20 CHED C=CCC1(C(=O)OCc2nc(C(C)C)ns2)CCCC1 835304795 PKOBKMYCBCHKEC-UHFFFAOYSA-N 294.420 3.841 30 20 CHED C=C(C)CN(Cc1ccccc1)S(=O)(=O)[C@H](C)CCC 580777799 JEWWPXIACRNNRY-OAHLLOKOSA-N 295.448 3.583 30 20 CHED C=CCCCCCN(C)C(=S)NCCc1ccccc1 739461319 XGROEEYHOHMUBL-UHFFFAOYSA-N 290.476 3.782 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1cccc(C)c1C 734297912 YXKRGHYSQZHALY-UHFFFAOYSA-N 274.755 3.583 30 20 CHED CC[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730417543 OLIKGWFDOYSJEO-SCZZXKLOSA-N 276.336 3.658 30 20 CHED C=CCC[C@H](NC(=O)C(F)(F)CC)c1ccccc1 830680451 IMJGGWWYPWIUIZ-ZDUSSCGKSA-N 267.319 3.855 30 20 CHED C#CCCCCCCOC(=O)C[C@@H]1CCC[C@H](OC)C1 835714624 MHIRHXVHGAMCMN-CVEARBPZSA-N 280.408 3.709 30 20 CHED CS[C@H](CNC(=O)CC1(C#N)CCCCC1)C(C)(C)C 597494482 LDDBUGCHYJUCPX-CYBMUJFWSA-N 296.480 3.744 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCCOc2ccccc21 749748314 ASTPKIFHEMEMFB-PWDRBQJJSA-N 267.328 3.725 30 20 CHED C#CCOc1ccc(C(=O)N[C@H](C)c2ccc(C)s2)cc1 741549476 NWVXOWOVRNIWSO-CYBMUJFWSA-N 299.395 3.560 30 20 CHED CC(C)(C)c1ccc(OCc2ccc(C(=O)NO)cc2)cc1 916665992 LPDJQLSWGFXNHJ-UHFFFAOYSA-N 299.370 3.682 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC2(CC1)CC2(F)F 593073648 VJPWYLQPFGOPKF-LBPRGKRZSA-N 276.330 3.740 30 20 CHED C=C1CCN(C(=O)[C@@H](CCC)c2ccccc2)CC1 594846391 QUBAAMHWKFWRNG-INIZCTEOSA-N 257.377 3.749 30 20 CHED Cc1cc(NN=Cc2ccc(C(C)C)cc2)nc(C)n1 915970571 HHMGOGQGWGIXTQ-UHFFFAOYSA-N 268.364 3.663 30 20 CHED CCc1ccccc1CNC(=O)CC1(C#N)CCCCC1 597288925 YWGJNACHCSOCAC-UHFFFAOYSA-N 284.403 3.729 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)c1ccc(F)cc1 916240520 FCSIUGVYPJRRBL-UHFFFAOYSA-N 286.306 3.750 30 20 CHED N#CCCCSc1nc2ccc(F)cc2s1 918924973 BBXNFPAPWKTPHC-UHFFFAOYSA-N 252.339 3.831 30 20 CHED Cc1cc(C=NNc2ccc(C#N)cc2)c(C)n1C1CC1 915962242 KDEKSUUWQJMJFT-UHFFFAOYSA-N 278.359 3.758 30 20 CHED CC[C@@H](C)CN(CC)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 593989461 QOXYZSSMSKDPCE-CABCVRRESA-N 286.419 3.631 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc(C)nc(Cl)c1 840478031 OXPXPMKHIIJUQW-CQSZACIVSA-N 267.756 3.689 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)n1 741764311 YZVKFWGADBGOMA-LDYMZIIASA-N 290.754 3.601 30 20 CHED C=CCN(C(=O)Nc1cccc(SC)c1)C(C)C 916706116 GEMIWWTWOHANPL-UHFFFAOYSA-N 264.394 3.837 30 20 CHED CN(CCc1ccc(C#N)cc1)CC1(c2ccccc2)CC1 595455170 SIOGWSHCEIYHLG-UHFFFAOYSA-N 290.410 3.764 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[C@H]1C 593968094 LVLUWERZTXWEHW-IIDMSEBBSA-N 298.430 3.679 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)Cc1ccsc1 918713090 UZWMEZJCDAEAGC-WIWNTQSISA-N 275.373 3.512 30 20 CHED CCCCCCCCCC(=O)N1CCN(CC2CC2)CC1 917758571 IFFIUAWZHFZRKR-UHFFFAOYSA-N 294.483 3.681 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C1=CCCCO1 742228754 WGPDDCUKGCWBCT-UHFFFAOYSA-N 297.807 3.610 30 20 CHED C=CCOc1ccccc1C(=O)OC[C@@H](C)CC(F)F 842440283 UQPHQVQGKHPHGH-NSHDSACASA-N 284.302 3.700 30 20 CHED CC(C)(C/N=C/c1cc(Cl)ccc1O)c1ccccn1 840705557 DZDNXMAWJHBBFV-VCHYOVAHSA-N 288.778 3.837 30 20 CHED N#CC1(C(=O)N2CCC[C@H](C3CCCCC3)C2)CCCC1 598470731 HSLMEPUUGJTLAG-INIZCTEOSA-N 288.435 3.889 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(F)c(C#N)c2)C1 596727719 WNYWQIJGDHHKNK-VXGBXAGGSA-N 289.354 3.740 30 20 CHED O=C1/C(=C/c2ccc(O)c(Cl)c2)Oc2ccc(F)cc21 749746634 NMHMFNUFTBKFQJ-NSIKDUERSA-N 290.677 3.801 30 20 CHED FC(F)(F)c1cccc(C=NNCc2ccccc2)c1 916344405 VJDFAYIMKHGMAZ-UHFFFAOYSA-N 278.277 3.829 30 20 CHED CCCCCCCCOCC(=O)N1CCCC[C@H]1C 741514359 KJRXMKDJVCINQB-OAHLLOKOSA-N 269.429 3.765 30 20 CHED Cc1cc(/C=C2/C[C@H](C)c3ccccc3C2=O)nn1C 840717408 UTLHAJLFYIEFGO-KBICQTFXSA-N 266.344 3.502 30 20 CHED Brc1cnc(NN=CC2CCCCCC2)nc1 848420460 CKBMPSPOKAEFMJ-UHFFFAOYSA-N 297.200 3.607 30 20 CHED CCC(Cc1ccc(C)cc1)=NN=C(C)c1cnccn1 745206509 HPRVXXCZHJSFKS-UHFFFAOYSA-N 280.375 3.603 30 20 CHED N#Cc1ccc(CCN[C@H]2CCc3c(F)cccc32)cc1 594713188 YRMWIDQGOHLIID-SFHVURJKSA-N 280.346 3.517 30 20 CHED CC[C@H](C)CN(CC)C(=O)CC1(C#N)CCCCC1 597344234 LTUSMUOFGRLVDO-AWEZNQCLSA-N 264.413 3.745 30 20 CHED CC(Cc1nc2ccccc2s1)=NNc1ccccn1 749157234 WMTXGQFGZUQRNY-UHFFFAOYSA-N 282.372 3.722 30 20 CHED CO[C@H](C)c1nc(CNc2ccc(C#N)cc2C)cs1 846753271 KAJATVOUHAVQGG-LLVKDONJSA-N 287.388 3.643 30 20 CHED Cc1ccc(CN(C)Cc2ccc(Cl)cc2C#N)nc1 590754554 GUOHCCOVZPJXMM-UHFFFAOYSA-N 285.778 3.547 30 20 CHED Cc1ccc([C@@H](C)NC(=O)/C=C\c2ccccc2C#N)s1 919701412 DKXXXQLSRKPOME-CHOZFAJLSA-N 296.395 3.819 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1N(C)C 595057889 YGGHYYWZJNGDFQ-OAHLLOKOSA-N 293.414 3.518 30 20 CHED C#CCN(C(=O)NC[C@H]1CCC[C@@H](C)C1)C1CCCCC1 744856900 BBLTVMRXURRUNJ-CVEARBPZSA-N 290.451 3.790 30 20 CHED CCC[C@@H](C(=O)N(C)[C@H](C#N)CC)c1ccc(Cl)cc1 598849602 FXKUZVRMJLOAFB-LSDHHAIUSA-N 292.810 3.984 30 20 CHED FC(F)(F)c1ccccc1NN=C1CCCn2ccnc21 848398999 HSPDFVFZLBZYKY-UHFFFAOYSA-N 294.280 3.512 30 20 CHED Cn1nnc2cc(/C=C/C(=O)c3cccc(Cl)c3)ccc21 740666597 RTJZRVRZNSYAFU-SOFGYWHQSA-N 297.745 3.518 30 20 CHED CCC(=NNc1ccc(Br)nc1)[C@@H]1C[C@H]1C 841626743 SOJABZHXLRHJAF-PSASIEDQSA-N 282.185 3.678 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1Cc2ccc(Cl)cc2C1 926359640 GVDAMSGNESAKMY-XHDPSFHLSA-N 276.811 3.725 30 20 CHED CC[C@@](C)(C#N)c1nc(C2(c3cccc(F)c3)CCC2)no1 924189514 UXBIVQFMJWVRLT-INIZCTEOSA-N 299.349 3.870 30 20 CHED COc1ccccc1C=NNc1cccc(Cl)c1F 921137637 GBMYWNVFJIYVSD-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C=CCC(CC=C)C(=O)NCCCSc1nccs1 758486266 OHMJOFKGQRASAN-UHFFFAOYSA-N 296.461 3.510 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1cnc(C(C)C)s1 758430965 TUBRKFZWTMQPNB-SREVYHEPSA-N 289.404 3.513 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1csc2ccccc12 754743127 ZVZKZDVEAOGVPT-LLVKDONJSA-N 256.374 3.856 30 20 CHED C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1cccnc1 754898050 BSOGOHYSRMJYPM-JTQLQIEISA-N 286.718 3.525 30 20 CHED Cc1ccc(-c2nc(C=NO[C@H]3CCCCO3)co2)cc1 755823652 YNKAYJSDNYFGAV-HNNXBMFYSA-N 286.331 3.527 30 20 CHED CCCn1nccc1/C=C1\CCc2ccc(OC)cc2C1=O 853005393 ICBASMKBUBEEFU-SDNWHVSQSA-N 296.370 3.514 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1c1c(C)cccc1C 855213993 HPRZZLOLDNOLDG-INIZCTEOSA-N 269.388 3.770 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H](C)c1ccc(F)cc1 920177715 JISCSKHOPIJSQC-ZDFPAGSVSA-N 287.334 3.763 30 20 CHED Cc1n[nH]c(C)c1/C=C1\CCc2c(Cl)cccc2C1=O 758039200 IJFTXRZAZCHQNT-DHZHZOJOSA-N 286.762 3.892 30 20 CHED C=CC(C)(C)C(=O)OCCc1ccnc2ccccc12 851304026 RAQQMYMUHPHEEU-UHFFFAOYSA-N 269.344 3.533 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccccc2C#N)c1 755589724 ACZRXEPDVWHPSH-KHPPLWFESA-N 277.323 3.853 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNc1ncc(Cl)cn1 857220647 LBWJTWGTZYUJBU-ZJUUUORDSA-N 266.776 3.744 30 20 CHED CCCCCCCC(=O)NC[C@]1(C)CCCS1 758605302 FCOYDIXCLRUKPC-AWEZNQCLSA-N 257.443 3.749 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@@H]2Cc2ccccc2)c1 752175493 JNLJCOCDCJXAEK-GOSISDBHSA-N 290.366 3.517 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc2oc(COC)nc2c1 934292543 QWBHMXVDHGPEOG-NSHDSACASA-N 288.347 3.515 30 20 CHED CCCn1nc(C)c(/C=C2/Cc3c(F)cccc3C2=O)c1C 759652606 KWDTVSSSKCIERH-LCYFTJDESA-N 298.361 3.871 30 20 CHED CC1(C)CN(CCCCC2(C#N)CCC2)[C@@H]1[C@H]1CCCO1 930508046 MAMKTRHKGLAKQP-HZPDHXFCSA-N 290.451 3.740 30 20 CHED CCc1ccc(C(C)=NN=c2cc[nH]c3ccccc23)o1 752165304 PUHKFAPTMUXVRF-UHFFFAOYSA-N 279.343 3.648 30 20 CHED Cc1ccc([C@H](C)CNCc2ccc(OCC#N)cc2)cc1 862277334 WKUWJXVAMOYKSC-MRXNPFEDSA-N 294.398 3.791 30 20 CHED Cc1ccc(CC(=O)OCCCCC(C)(C)C#N)cc1 768415638 ZCFPBWCYDIRHHU-UHFFFAOYSA-N 273.376 3.801 30 20 CHED COc1ccc(/C=C\C(=O)c2cncc(C)c2)cc1C 767365323 AOTPOMSOKGWYBI-XQRVVYSFSA-N 267.328 3.603 30 20 CHED CCc1noc(C)c1C(C)=NNc1ccccc1F 769797338 RNNUFXUUDAPOIX-UHFFFAOYSA-N 261.300 3.521 30 20 CHED CSc1ccc(COc2ccc(C#N)cc2)cc1 58871186 BHROECBYQOYLGT-UHFFFAOYSA-N 255.342 3.859 30 20 CHED Cc1cc(C)c(C=NNc2cc(C#N)cc(Cl)n2)cc1C 768382512 UJPWEKQGDUTVDZ-UHFFFAOYSA-N 298.777 3.978 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@H](C)C(C)(C)C1)c1ccccc1 760128265 YRYWQNBZNWSBSX-DOTOQJQBSA-N 298.430 3.829 30 20 CHED Cn1cnc2cc(/C=C\C(=O)c3cc(F)cc(F)c3)ccc21 761206350 UTWXNHGERKOONE-HYXAFXHYSA-N 298.292 3.748 30 20 CHED CCOc1ccccc1C=NOCc1ccc(Cl)cn1 767533449 FZUYMZHDAZWXQN-UHFFFAOYSA-N 290.750 3.684 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)OCCC(C)(C)C#N)c1 860337620 OMMCZXOJCHHLFW-LSDHHAIUSA-N 271.360 3.582 30 20 CHED CCCn1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)nn1 865216140 DTCJMSGOHLXVFM-MDZDMXLPSA-N 283.375 3.708 30 20 CHED CC(C)(C)CC=NNc1ccnc(Br)c1 769817242 XBSPOJKMZFIGEJ-UHFFFAOYSA-N 270.174 3.678 30 20 CHED Cc1cc(C=NNc2cccc([N+](=O)[O-])c2C)ccc1C#N 766447541 OWZGOXQTCFQLKW-UHFFFAOYSA-N 294.314 3.529 30 20 CHED CCc1cnccc1C(C)=NNc1ccc(F)cc1C 765584976 VBEAUAXCTAQADW-UHFFFAOYSA-N 271.339 3.928 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)s1 1118303092 OCWXGODTFLDJIN-STQMWFEESA-N 260.406 3.632 30 20 CHED CCN(C(=O)Nc1sccc1C#N)C1CCCCC1 1119831051 RAZONKQEWDEUIO-UHFFFAOYSA-N 277.393 3.806 30 20 CHED CC(C)c1ncc(/C=C\C(=O)c2ccncc2)s1 776187860 BQADHOLCMAYKDQ-ARJAWSKDSA-N 258.346 3.558 30 20 CHED C#CCCCCCC(=O)NCCc1c[nH]c2c(C)cccc12 779917643 IGISOCFBHNNQQQ-UHFFFAOYSA-N 296.414 3.719 30 20 CHED CC(C)CN(CCC#N)C(=O)C/C=C/Cc1ccccc1 874231342 JRMWTELAATYMOJ-VOTSOKGWSA-N 284.403 3.574 30 20 CHED N#CCC1(CN2CCCC[C@H]2c2ccccc2)CC1 878433441 CVJGDELIPFLANA-INIZCTEOSA-N 254.377 3.907 30 20 CHED CC(C[C@H](C)CC(C)C)=NN=C(C)c1cnccn1 779775375 ZWLLRZNSOZIZJZ-GFCCVEGCSA-N 260.385 3.734 30 20 CHED C#CCCCCCC(=O)Nc1ccc2ncsc2c1 779845034 DCJURZCRKRCTOC-UHFFFAOYSA-N 272.373 3.819 30 20 CHED COc1cc(CNC[C@@H](C)CCC#N)ccc1OC(C)C 876926386 SNAJFBOOAPSBIX-AWEZNQCLSA-N 290.407 3.512 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 879094162 PLHKFDXGFBWXHS-GFCCVEGCSA-N 290.363 3.683 30 20 CHED C#CCCN[C@H](c1ccc(Br)cc1)C1CCC1 775201833 HBGSOFWXEONIRR-HNNXBMFYSA-N 292.220 3.903 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(F)ccc1C)CO2 777914544 ABDZZFLYEMVUJN-NTUHNPAUSA-N 298.313 3.801 30 20 CHED CC(C)(C#N)CCOC(=O)C12CC3CC(CC(C3)C1)C2 776360502 ARCNHMXPEQADKB-UHFFFAOYSA-N 275.392 3.686 30 20 CHED CC1(C)CCCN(c2nc(C(C)(C)C)ccc2C#N)C1 1458314561 MHXXBQGSQPNCGG-UHFFFAOYSA-N 271.408 3.877 30 20 CHED CC1(C)C[C@@H](NC(=O)c2ccsc2C#N)c2ccccc21 1127005209 SHGUYMONRNBLOU-CQSZACIVSA-N 296.395 3.772 30 20 CHED Cc1cc(C#N)cc(NC(=O)Cc2cccc(C3CC3)c2)c1 1129808843 FYSOJJAXDSSVHX-UHFFFAOYSA-N 290.366 3.925 30 20 CHED N#Cc1csc(/C=C/C(=O)c2ccnc(Cl)c2)c1 782192636 ACARUYANSKJYET-OWOJBTEDSA-N 274.732 3.564 30 20 CHED CN(CCC(C)(C)C)C(=O)Nc1cc(C#N)c(F)cc1F 880710943 YENOYBFCZSHZSJ-UHFFFAOYSA-N 295.333 3.736 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1ccccc1C 782535720 UQXQRSKWMYXRHY-WMLDXEAASA-N 276.376 3.828 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(Cl)ccc1OC(C)C 781169653 VVGUQRKOMMGBKO-NSHDSACASA-N 281.739 3.586 30 20 CHED Clc1ccnc(NN=Cc2sccc2Cl)c1 782268390 PWZZRSGNCVIGFM-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CC(=NNc1cccc(C)c1)c1cnn(C(C)C)c1C 787144668 KPOSOSJOACYEOK-UHFFFAOYSA-N 270.380 3.917 30 20 CHED COc1ncc(C(=O)/C=C\c2cccc(F)c2)cc1Cl 789156840 FIKFPNXTLGRVKU-WAYWQWQTSA-N 291.709 3.779 30 20 CHED Clc1cccnc1NN=Cc1sccc1Cl 782206791 SSBRBNQBPYHZCI-UHFFFAOYSA-N 272.160 3.896 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O 787025125 DGYNNPMNFUKMQC-DIFFPNOSSA-N 296.345 3.741 30 20 CHED C[C@H](CCC1CCCCC1)NCc1ccc(C#N)cn1 783300506 NXEDXHRFLDDTFX-CQSZACIVSA-N 271.408 3.792 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 781555067 VORDNRGHEGMSGK-CQSZACIVSA-N 289.762 3.806 30 20 CHED N#Cc1c(F)cccc1N[C@H](c1ccccn1)C1CC1 895793156 GFDDJPASAVSUAK-INIZCTEOSA-N 267.307 3.656 30 20 CHED N#CCC1CCN([C@H]2CCc3cc(Cl)ccc32)CC1 782194458 YSOPXFFGDPGJLP-INIZCTEOSA-N 274.795 3.953 30 20 CHED CCC(=NNc1ccnc(F)c1)c1ccccc1F 781133236 OIPPGWUDUIPNBC-UHFFFAOYSA-N 261.275 3.586 30 20 CHED CCCC(Cc1ccccc1)=NNCCc1ccccn1 789112793 LEABKCPVMHDPIL-UHFFFAOYSA-N 281.403 3.613 30 20 CHED C=CC1CCN(Cc2ccccc2Br)CC1 600681447 KZOKUUCSLAMONY-UHFFFAOYSA-N 280.209 3.847 30 20 CHED CC(C)(C)C1CCC(=CC(=O)N2CC[C@@](F)(C#N)C2)CC1 786234951 AYDMOUHOJSZASB-FBMWCMRBSA-N 292.398 3.613 30 20 CHED CC(=NOC[C@H]1CCOC1)c1ccc(OC(C)(C)C)cc1 788031629 WTADSLJHGZPPBH-AWEZNQCLSA-N 291.391 3.641 30 20 CHED Cc1nc(N[C@H](c2ccccn2)C2CC2)c(Cl)cc1C#N 895795509 FKKRFSFOPMVQRT-HNNXBMFYSA-N 298.777 3.873 30 20 CHED CC1(C)CCC(C=NN2Cc3ccccc3C2=O)CC1 781595132 MTDOICWYCQVMLH-UHFFFAOYSA-N 270.376 3.845 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N(CC)C[C@H](C)C#N 780378153 YQCIYYXJOMSIEG-GDBMZVCRSA-N 266.429 3.991 30 20 CHED CC(C)CC1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 797200378 UWYBZTOYZGDVHO-UHFFFAOYSA-N 288.366 3.596 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)cc(C)c1 187511794 BSWRRQJVJFOBFQ-UHFFFAOYSA-N 272.392 3.848 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)N1CC(C)(C#N)C1 797762452 ZBQGFWBSQJKYEN-MRXNPFEDSA-N 264.413 3.745 30 20 CHED COc1cccc(O)c1/C=N\CCc1ccc2[nH]ccc2c1 799742707 GSINCKPMAKYVKS-UNOMPAQXSA-N 294.354 3.544 30 20 CHED C=CCCCCC[C@H](C)NC[C@@](C)(O)c1ccco1 793531591 DESXQNLLZNFSFC-GOEBONIOSA-N 265.397 3.602 30 20 CHED COc1ccc(O)c(/C=N\CCCCc2ccccc2)c1 798068571 QLJBTOIJGSSQFX-RGEXLXHISA-N 283.371 3.843 30 20 CHED Cc1nc(C#N)c(NN=C[C@H](c2ccccc2)C(C)C)o1 794495160 OVTIZRBOEHUXMG-AWEZNQCLSA-N 282.347 3.692 30 20 CHED C#CCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 795570418 CHZSCQPFFXBYPD-CQSZACIVSA-N 265.809 3.530 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc(OC(F)F)cc1 797037303 PRGQYSXIMOCLNX-ZUZCIYMTSA-N 297.301 3.832 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(Br)cs2)no1 791431718 JVILZJRFZKCDKT-IHWYPQMZSA-N 298.161 3.703 30 20 CHED C#Cc1cccc(NC(=O)c2cccc(F)c2SC)c1 797806829 VTYHPBQFZGIMQN-UHFFFAOYSA-N 285.343 3.781 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C\C(=O)c1occc1C 794941602 SDRZLZGRXBERMC-PLNGDYQASA-N 284.311 3.799 30 20 CHED CSCCON=C[C@H](C)CCc1ccccc1 794574393 FMQRHVLALNLCSY-CYBMUJFWSA-N 251.395 3.621 30 20 CHED Cc1ccc(/C=C2\CCc3ccc(O)cc3C2=O)s1 794960002 IFGAHEBDGOOLBI-XYOKQWHBSA-N 270.353 3.975 30 20 CHED N#Cc1cc(Cl)ccc1NCC[C@H](O)c1ccccc1 78519524 FTBMZMWZJCSYHX-INIZCTEOSA-N 286.762 3.747 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(C#N)cc1 1309984237 AHVHUGHIFUMXBY-SWLSCSKDSA-N 285.391 3.895 30 20 CHED CN(Cc1cccc(C#N)c1)c1nc2cccc(F)c2s1 1306927251 BVYHMXZCOGNFDI-UHFFFAOYSA-N 297.358 3.943 30 20 CHED N#Cc1cnc(NCc2ccc3c(c2)CCC3)c(Cl)c1 1318204081 CPFRJLAEHKEHPZ-UHFFFAOYSA-N 283.762 3.707 30 20 CHED Cc1c(NCc2ccc(C#N)cc2)ccc(F)c1F 1178935469 ZESYEVVWHLSMFK-UHFFFAOYSA-N 258.271 3.757 30 20 CHED O=C(CC#Cc1ccccc1)OCc1ccc(CF)cc1 1324967404 XVYVLEWDBVNZJL-UHFFFAOYSA-N 282.314 3.641 30 20 CHED CC[C@@H](CC(F)(F)F)NC1CC(C#N)(c2ccccc2)C1 1326033257 WNBWZZZCGQZSOD-NFOMZHRRSA-N 296.336 3.931 30 20 CHED C=C[C@H](COC)N[C@H]1CCc2cc(Cl)cc(Cl)c21 1324021883 NERZGXDVECFQFQ-YPMHNXCESA-N 286.202 3.771 30 20 CHED N#CCc1cccc(NCCCc2cccc(Cl)c2)n1 1324496257 QUMYBZHTCKCLDO-UHFFFAOYSA-N 285.778 3.846 30 20 CHED CCC[C@@H](C)Cc1nnc(-c2ccc(C#N)cc2)o1 1322326375 ZWIOQPIIICBXGE-LLVKDONJSA-N 255.321 3.587 30 20 CHED C=CCCCCCCNC(=O)N(C)CC1CCC1 1339889889 PNJKGOAUUYTIOO-UHFFFAOYSA-N 252.402 3.564 30 20 CHED Cc1ccc(CN(C)CCOc2cccc(C#N)c2)cc1C 1195148278 UYMLPUCVYZRGGN-UHFFFAOYSA-N 294.398 3.686 30 20 CHED CCCN(Cc1ccc(F)cc1)CC1(CC#N)CC1 1190604607 IFOFWNKSDGIPPP-UHFFFAOYSA-N 260.356 3.732 30 20 CHED N#CC[C@H](OC(=O)CC(C1CC1)C1CC1)c1ccco1 1263661034 XEOLIVWGNRWSOR-HNNXBMFYSA-N 273.332 3.604 30 20 CHED C=C(CC)C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 1348506923 QMQLPELUDPUGKA-DOMZBBRYSA-N 273.376 3.860 30 20 CHED Fc1ccc(CNN=Cc2ccc3occc3c2)cc1 1340938192 JKJVOBNHIIFRFB-UHFFFAOYSA-N 268.291 3.696 30 20 CHED Cc1ccc2occ(CC(=O)O[C@@H]3CC[C@@H](C#N)C3)c2c1 1342719277 UCCNDXJCJAHXOV-TZMCWYRMSA-N 283.327 3.519 30 20 CHED C#C[C@H](NCc1ncccc1C)c1ccc(Cl)cc1F 1343323872 PILYYQDDUXSOLI-HNNXBMFYSA-N 288.753 3.647 30 20 CHED C=C(CC)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 1347602603 KZJXFAIIGAXEHZ-UHFFFAOYSA-N 290.363 3.938 30 20 CHED N#C[C@@H](NC(=O)/C=C/c1ccc(Cl)s1)C1CCCC1 1350852187 UMVBKOIPXKJZHT-WAFBPQNNSA-N 294.807 3.613 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1cccc(OCC#N)c1 1350145628 LVHUFQGUFYCTTO-SJLPKXTDSA-N 284.403 3.813 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1sc(C)cc1C 1448358026 PSNPAEYACVBQED-UHFFFAOYSA-N 285.372 3.531 30 20 CHED C[C@H](CC(C)(C)C)Nc1ccc(Cl)c(C#N)n1 1458421283 XKBFGPLMVGAXST-SECBINFHSA-N 251.761 3.843 30 20 CHED CCC1(CC)CCCN(c2snc(C)c2C#N)C1 1458484506 JQGNCTOTLZVPRO-UHFFFAOYSA-N 263.410 3.730 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1ccc(F)c(C#N)c1 1521313859 SVHZQDYCRGQVCC-JRPNMDOOSA-N 275.323 3.679 30 20 CHED N#Cc1cccc(C#N)c1NC[C@H]1CCC[C@@H]1C1CC1 1458433263 SVICSKWIABCXGR-HZPDHXFCSA-N 265.360 3.668 30 20 CHED CC[C@H](C#N)C(=O)N(C)c1ccc(Oc2ccccc2)cc1 1464575203 LBPRVCWISLDYKO-CQSZACIVSA-N 294.354 3.991 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1C[C@@H](C)C[C@H]1CC 1539800290 ZFKDTXQLMNNXET-GXFFZTMASA-N 294.830 3.533 30 20 CHED Cc1cccc(C#N)c1SCc1ccccc1CC(=O)O 1607838322 HSYULZHVBAWVRT-UHFFFAOYSA-N 297.379 3.786 30 20 CHED N#Cc1cccc(C(=O)Nc2ccccc2NC2CCC2)c1 1557347293 JXFMNKSGTJWFEX-UHFFFAOYSA-N 291.354 3.775 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)Nc1scc(C)c1C#N 1624563927 ARTNJTOWOXPIJF-PWSUYJOCSA-N 277.393 3.628 30 20 CHED CC1(C)CC(C(=O)N2CCC[C@@](C)(C#N)C2)CC(C)(C)C1 1623743042 FPMIIPPLUQEWAP-SFHVURJKSA-N 290.451 3.991 30 20 CHED Cc1nc(C#N)cc(NC2CCC(c3ccccc3)CC2)n1 1639264984 YLGCZQGZUUMRBM-UHFFFAOYSA-N 292.386 3.795 30 20 CHED CCN(CCSc1cccc(Cl)c1)C[C@@H](C)C#N 1644454002 WDTXRTXAWOKVOR-LBPRGKRZSA-N 282.840 3.914 30 20 CHED C[C@@H]1CCC[C@@H]1CNC1CC(C#N)(c2ccccc2)C1 230662561 OJOBSRZWAFWGOA-RCDYEMGKSA-N 268.404 3.636 30 20 CHED N#Cc1ccc(CCOc2ccc(Cl)c(F)c2)cc1 1643830780 SDQHTSUUEGSHGI-UHFFFAOYSA-N 275.710 3.972 30 20 CHED CCO[C@H]1C[C@H](Nc2nccc(C)c2C#N)C1(CC)CC 1651574621 NFSYPVWPQIWOTH-GJZGRUSLSA-N 287.407 3.657 30 20 CHED COc1cc(C#N)ccc1CN1CCC(C2CCCC2)CC1 1652624938 UCINFWPCYIAGLD-UHFFFAOYSA-N 298.430 3.969 30 20 CHED CC(C)(C#N)CCCCN[C@@]1(C(=O)O)CCCC(C)(C)C1 1589553664 FSWFCQSJPFKTTO-KRWDZBQOSA-N 294.439 3.720 30 20 CHED CSc1c(F)cccc1NC(=O)c1cc(C#N)cs1 1587162998 HGANEHUVTBNOCD-UHFFFAOYSA-N 292.360 3.733 30 20 CHED C=CCCCC[C@@H](C)Nc1cc(F)cc(-c2nn[nH]n2)c1 1588593948 NHYNXKMGRDRHGT-LLVKDONJSA-N 289.358 3.553 30 20 CHED c1nc(NN=C2C3CC4CC(C3)CC2C4)c2ccsc2n1 19329977 WPOFDAQVZKIYHN-UHFFFAOYSA-N 298.415 3.915 30 20 CHED Cc1cc2c(s1)CCC2=NNc1ccccc1C(=O)O 1776032055 KVELUBLLXXXCJU-UHFFFAOYSA-N 286.356 3.517 30 20 CHED C=CC[C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)O)cc1 1776152031 UGAXZMYMQFWHKI-ZDUSSCGKSA-N 275.348 3.562 30 20 CHED C=CCC(C)(C)CC(=O)Nc1cc(C)cc(C(=O)O)c1 1776150870 UUAHNSBXNCAUPV-UHFFFAOYSA-N 275.348 3.624 30 20 CHED C=CCN(CC=C)Cc1cc(Cl)c2c(c1)OCCCO2 248011321 RJUKTFULCVCSKP-UHFFFAOYSA-N 293.794 3.675 30 20 CHED C=C(Cl)Cn1c(CC(C)C)nnc1N1CCC[C@@H]1CC 1690346200 NDOPSQLJSIPSKO-ZDUSSCGKSA-N 296.846 3.608 30 20 CHED CN(C)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 5586347 TYESXVDONIFKQN-UHFFFAOYSA-N 299.761 3.530 30 20 CHED C=CCC[C@H](NC(=O)NC(C)(C)C)c1ccccc1 161116716 OLMSLQNFKLEOQE-AWEZNQCLSA-N 260.381 3.792 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@](C)(C#N)CC)cc1 157931814 GKIJJXWRWKQGQE-GUYCJALGSA-N 272.392 3.551 30 20 CHED C#CCCCCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 156558059 NHFVZGOCHYVVMG-NEPJUHHUSA-N 293.769 3.502 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)OC2CCCCC2)CC1 154559333 XGDCACPRBLOVHY-INIZCTEOSA-N 279.424 3.539 30 20 CHED COc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1O 159010977 XKHNIWRASIBZIM-XFXZXTDPSA-N 260.333 3.563 30 20 CHED C=CCN[C@@H](C)c1sc(-c2ccccc2)nc1C 159807694 UTRBHKNUXUZEGV-NSHDSACASA-N 258.390 3.955 30 20 CHED CC(C)(C)CCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 159300289 GXRKFSNXCPBUNM-CYBMUJFWSA-N 278.783 3.847 30 20 CHED C=C(C)COc1ccc(C)cc1I 307311595 CCNNFMAXJQJSDN-UHFFFAOYSA-N 288.128 3.555 30 20 CHED C=CCCCCCCCCN[C@@H]1CCN(C)[C@H](C)C1 806175765 FDMLQUXMKDPIPW-IAGOWNOFSA-N 266.473 3.975 30 20 CHED COc1cccc2c1CC[C@H]2N[C@H](C)CC(C)(C)C#N 925272193 SHXIKMGTMYNHSX-IUODEOHRSA-N 272.392 3.600 30 20 CHED C[C@H](N(C)CCCOc1ccc(C#N)cc1)C(C)(C)C 42253306 GORLDXHQFCGKON-AWEZNQCLSA-N 274.408 3.694 30 20 CHED C[C@H](NCCSC(C)(C)C)c1ccc(OCC#N)cc1 271859867 KBKRDLHTQOEECV-ZDUSSCGKSA-N 292.448 3.771 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1c(C)noc1C 279393282 ULKGSLCRLKKCGK-UHFFFAOYSA-N 270.376 3.870 30 20 CHED CC(C)n1cc(N[C@@H](C)c2cccc(C#N)c2)cn1 61683113 XCUQUOXYYPVOCT-LBPRGKRZSA-N 254.337 3.509 30 20 CHED CCC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccccn1 308052748 HQFJFDQASIVXLP-ZIAGYGMSSA-N 258.365 3.720 30 20 CHED CC#CCCN[C@@H](C)CCc1ccc(Cl)s1 309335993 APQPEKKCQJZWKM-NSHDSACASA-N 255.814 3.726 30 20 CHED N#Cc1nccc(Sc2ccc(Cl)c(Cl)c2)n1 310167018 RZWPRZNLBVQGMJ-UHFFFAOYSA-N 282.155 3.806 30 20 CHED N#Cc1cnc2ccccc2c1N[C@@H]1CCC(F)(F)C1 313575548 RYEBDCPVEZPHNO-LLVKDONJSA-N 273.286 3.706 30 20 CHED CCN(CC(C)(C)C)c1nc(C(F)(F)F)ccc1C#N 394244347 QWWJOJGDAFFHDM-UHFFFAOYSA-N 285.313 3.844 30 20 CHED CCc1ccccc1NCc1ccc(CC#N)cc1 398959319 LCJZFFXHDXRPRX-UHFFFAOYSA-N 250.345 3.927 30 20 CHED COc1cc(/C=C/C(=O)C2CCCCC2)cc(OC)c1O 7905588 HUYHKQZAMVPPPM-CMDGGOBGSA-N 290.359 3.572 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1c1cccs1 7981776 ROOYPSSTZIUHIA-AWEZNQCLSA-N 299.355 3.869 30 20 CHED CNC(=O)c1ccc(/C=C/C(=O)c2cc(C)cc(C)c2)cc1 107066867 VITYJNPBIJXEBB-RMKNXTFCSA-N 293.366 3.559 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1C 105311265 PPAGLAZXMAEQKM-GDBMZVCRSA-N 272.392 3.573 30 20 CHED CC[C@@H](C#N)OC(=O)CCCOc1ccc(Cl)c(C)c1 176015058 IVXGSIPBIGZIEM-LBPRGKRZSA-N 295.766 3.653 30 20 CHED C=CCN(C(=O)c1ccnc(Cl)c1)c1ccccc1 58642313 PCNDRFPRQIFEIO-UHFFFAOYSA-N 272.735 3.568 30 20 CHED C#CCCCCC(=O)N(C)CC(C)(C)c1ccc(C)cc1 119915856 HZUMLLYYEAZGND-UHFFFAOYSA-N 285.431 3.925 30 20 CHED CN(Cc1cc(C#N)cs1)[C@H]1CCc2ccccc21 179908981 NSBBUYYIVBOEQB-INIZCTEOSA-N 268.385 3.739 30 20 CHED C=C(C)CCOC(=O)c1ccc(C(F)(F)F)nc1C 174805868 IQFYONQOPYNDLW-UHFFFAOYSA-N 273.254 3.532 30 20 CHED C=CCSc1nnc([C@H](CC)c2ccccc2)o1 67953384 NHDORRLXYRVFID-GFCCVEGCSA-N 260.362 3.890 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC(C)(C)C)cc1 173695125 NJSYGMHUGRLOOH-GFCCVEGCSA-N 276.380 3.950 30 20 CHED CC[C@@H](C)Oc1ccc(Nc2nnc(C)c(C)c2C#N)cc1 301123414 ZQTYEFYTTQJTTF-LLVKDONJSA-N 296.374 3.886 30 20 CHED N#Cc1ccc(N[C@H]2CCCN(c3ccccc3F)C2)cc1 301899503 YAMAILJEVHOXFX-INIZCTEOSA-N 295.361 3.778 30 20 CHED C[C@@H]1C[C@@H](C)CN(c2ccc3cc(C#N)ccc3n2)C1 301823639 NGZWWHCOMZEKLD-CHWSQXEVSA-N 265.360 3.589 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1ccc(Cl)cc1)C1CC1 119968195 GRVJYTNCXDKFKG-JKSUJKDBSA-N 279.811 3.708 30 20 CHED N#C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccccc1Cl 172031747 BUWUEPODWBOZAK-SNVBAGLBSA-N 295.125 3.581 30 20 CHED COC(=O)Nc1ccc(Nc2cccc(F)c2C#N)cc1 301160128 SUSPFYBBFKTAEK-UHFFFAOYSA-N 285.278 3.619 30 20 CHED C=CCc1ccc(OC(=O)c2ccc(F)cc2)c(OC)c1 29123789 RETLNOCEJALVEO-UHFFFAOYSA-N 286.302 3.782 30 20 CHED C[C@H](CN(C)C(=O)Nc1ccc(C#N)cc1)c1ccccc1 67014495 YJZAJRZMEANUPW-CQSZACIVSA-N 293.370 3.826 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1nc(C(C)(C)C)cs1 301196297 ODUWGDYFMWCUNZ-SNVBAGLBSA-N 286.404 3.880 30 20 CHED CC(C)c1scnc1C(=O)O[C@@H](CC#N)c1ccco1 1350311365 JUQAHCSAJNEXIH-NSHDSACASA-N 290.344 3.671 30 20 CHED CC(C)(CCCc1ccccc1)C(=O)OCCCC#N 171858540 PYACPXOOVKVZMD-UHFFFAOYSA-N 273.376 3.882 30 20 CHED CCOc1cccc(C(=O)Nc2cc(C#N)ccc2C)c1 63962416 WFGXVWTZBHGUQI-UHFFFAOYSA-N 280.327 3.518 30 20 CHED C=CCCCC(=O)N[C@H](C)C(C)(C)c1ccccc1 177815501 CZFQISKHYZNUDL-CQSZACIVSA-N 259.393 3.825 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1C#N 124618214 IZLKSIAOUJZGQH-ZWNOBZJWSA-N 298.308 3.947 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)OCCCC 303467896 PUSYEODWGKFJPY-OAHLLOKOSA-N 281.440 3.787 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(OCC(F)F)c1 187960894 GPBSPWJINMCJKU-INIZCTEOSA-N 297.345 3.549 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cccc(Cl)c1 216167821 LCFYYDCWUWKSOE-LBPRGKRZSA-N 280.799 3.565 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(Cl)cn1 121082372 IFDNNCPFEKRERQ-UHFFFAOYSA-N 292.810 3.944 30 20 CHED Cc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1[N+](=O)[O-] 188358309 STDSZXIDQMHRPV-LBPRGKRZSA-N 281.315 3.948 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 180447879 SEPSLRDUKZULEA-ZIAGYGMSSA-N 297.320 3.843 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC(C(C)C)CC1 508954119 WRYBSRKZVUQAFM-UHFFFAOYSA-N 288.439 3.604 30 20 CHED Cc1cn2c(/C=C\C(=O)c3cccs3)c(C)nc2s1 214109482 LXPXQAVAUULWJC-WAYWQWQTSA-N 288.397 3.970 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(CCC)on1 412843641 SKSRZJBPYOXUCE-OAHLLOKOSA-N 298.386 3.544 30 20 CHED CCCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C 415273218 VWLGLNMTWDUUHQ-JKSUJKDBSA-N 284.403 3.699 30 20 CHED CCCN(Cc1ccccc1)c1ncc(C#N)cc1F 413199520 RHSSALQZIJWHDP-UHFFFAOYSA-N 269.323 3.509 30 20 CHED C[C@@H](Cc1ccc(F)cc1)Nc1ccc(OCC#N)cc1 128718577 LWLUJNZFIXOKPP-ZDUSSCGKSA-N 284.334 3.771 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1cnc(C#N)c(Cl)c1 411034938 TUOVVDZZKZKNNR-UHFFFAOYSA-N 279.771 3.617 30 20 CHED N#Cc1cccc(CCNC(=O)Nc2ccccc2Cl)c1 500199766 QPTAEBUVTXDVLN-UHFFFAOYSA-N 299.761 3.576 30 20 CHED N#Cc1csc(CN2CCCc3ccc(F)cc32)c1 507861933 STLYGSFJYPYNEQ-UHFFFAOYSA-N 272.348 3.712 30 20 CHED CCN(CCC#N)C(=O)[C@@H](C)c1cccc(CC(C)C)c1 507439165 BZRNOXJOLARIFY-HNNXBMFYSA-N 286.419 3.751 30 20 CHED CO[C@@](C)(C1CC1)[C@@H](C)Nc1nc(C)c(C#N)cc1Cl 413507737 CJFIAOJUHVMHOE-MEBBXXQBSA-N 293.798 3.531 30 20 CHED N#Cc1ccc(COc2ccc3c(c2)CCCO3)c(F)c1 314782641 TWRBGUHOWHGHAD-UHFFFAOYSA-N 283.302 3.601 30 20 CHED C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 31436572 YDATUYHIVWOGCH-LLVKDONJSA-N 284.746 3.703 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc(F)c(Cl)c2)C1 185807556 VOXPZSNKBDDKKW-ZYHUDNBSSA-N 266.747 3.651 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@H](C)c1c(C)noc1C 182579773 WGTQTLNVZICTPY-NWDGAFQWSA-N 278.396 3.646 30 20 CHED Cc1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1 76154273 LXFFODMECXWJPW-DLBZAZTESA-N 297.427 3.723 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(C)c2ccccc2C#N)C[C@H]1C 410579345 XHLOXVRXRWDEJD-MCIONIFRSA-N 270.376 3.593 30 20 CHED C=CCC[C@H](O)CN[C@H](CC)c1cccc(Cl)c1 182598930 WZKNBTWXVRBTFD-LSDHHAIUSA-N 267.800 3.708 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 180437083 VLRPWUDHBHJYLR-MSOLQXFVSA-N 279.383 3.978 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)c2ccccc12 413811461 BFJWFSCVSAPGKU-GOSISDBHSA-N 278.355 3.570 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(CNCC)c1 415910075 AWHMZHZBYPGNDJ-AWEZNQCLSA-N 289.423 3.662 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)NCC#Cc2ccccc2)C1 509342979 JNABEDQNWQBLCG-QZTJIDSGSA-N 298.430 3.552 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2ccsc2C1 132593066 BDGPAWQYAHXYGZ-LBPRGKRZSA-N 268.385 3.739 30 20 CHED C=CCNC(=O)Nc1cccc(OCCc2ccccc2)c1 47806141 QYFSWYDWHACYFI-UHFFFAOYSA-N 296.370 3.616 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 47380324 UZNOYCQEFUNJLQ-DHZHZOJOSA-N 282.387 3.922 30 20 CHED Cc1ncc(CS[C@@H](C)c2cccc(C#N)c2)cn1 507083095 UIIQPMKYMOINRW-NSHDSACASA-N 269.373 3.651 30 20 CHED Cc1cccc(C)c1CCN[C@H]1CCC[C@@H](C#N)C1 193026217 CZALTDOVUCTMNA-CVEARBPZSA-N 256.393 3.518 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC3(CCCCC3)O2)cc1 229274306 QXMYEFDFZYLGIU-QGZVFWFLSA-N 284.403 3.530 30 20 CHED CC(C)N(Cc1ccccc1C(C)(C)C#N)CC(F)F 135410344 JABHFQHTFSTXIX-UHFFFAOYSA-N 280.362 3.963 30 20 CHED CC(C)c1scnc1N=C(O)C1CCC(=O)CC1 329572340 JDYAEMNAIGGWCC-UHFFFAOYSA-N 266.366 3.614 30 20 CHED C=C(C)COc1cccc(NC(=O)C=C2CCC2)c1 131857370 XRDRGWIZKCLLHG-UHFFFAOYSA-N 257.333 3.690 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](CC)c1nc(C)cs1 424646553 JHVJBEPWKDGZII-LLVKDONJSA-N 266.410 3.621 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)COc2ccc(F)cc21 83316384 WLLGBYCTOBAITG-XFFZJAGNSA-N 272.250 3.624 30 20 CHED C[C@H](NCc1cccc(F)c1C#N)c1cccs1 428349395 VOLCDSJVCPKYCD-JTQLQIEISA-N 260.337 3.610 30 20 CHED C=CCN(Cc1cccc(OC)c1O)c1ccccc1 191972175 FVBJOMWGAOFVDH-UHFFFAOYSA-N 269.344 3.593 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc2ccc(F)cc2[nH]1 426554173 GMEKSZPRAXIOOG-OAHLLOKOSA-N 258.340 3.848 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cnc(C(C)C)s2)c1 132674932 YZLWHGRCIVLQHH-UHFFFAOYSA-N 284.384 3.524 30 20 CHED C[C@]1(C#N)CCCN(Cc2csc(-c3ccco3)n2)C1 612164508 CVNZOGRFSWZPII-OAHLLOKOSA-N 287.388 3.529 30 20 CHED CC(=O)Nc1ccc(C)cc1NCc1cccc(F)c1C#N 427408878 RBNJBQSOLHRGAE-UHFFFAOYSA-N 297.333 3.576 30 20 CHED Cc1ccc(Cl)c(NC(=O)Cc2ccc(C#N)cc2)c1 178323494 KUTVRIDHRHGSNC-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1ccc(C#N)cc1 289490921 KZDOGMOUJJRUMB-LBPRGKRZSA-N 259.353 3.601 30 20 CHED Cc1cn2cc(N/C(O)=N/[C@H]3CCC(C)(C)C3)ccc2n1 329067049 LSKUBUIRQVWSAP-LBPRGKRZSA-N 286.379 3.547 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccccc2)cc1C#N 130872881 KWQWUWLUEKGHOE-UHFFFAOYSA-N 280.327 3.598 30 20 CHED C#CCCCC(=O)N(CCC)[C@@H]1CCc2ccccc2C1 192227896 JJBOSETUGGZOHO-GOSISDBHSA-N 283.415 3.586 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)c1ccc2ccccc2c1 84709958 IEUQFICSWSDRMP-MLGOLLRUSA-N 267.328 3.789 30 20 CHED C=CCC1(C(=O)N2CCC(Oc3ccccc3)CC2)CCC1 190211732 JYTYVLGSLDOSLS-UHFFFAOYSA-N 299.414 3.803 30 20 CHED N#Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 84243146 GMSMZDHPORNJRN-UHFFFAOYSA-N 276.339 3.615 30 20 CHED CC1(C(=O)N2CCc3ccc(C#N)cc32)CCCCCC1 510865818 XYOCZAXLRMYZGK-UHFFFAOYSA-N 282.387 3.808 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(F)cc2C)c1C 131169402 QKTCSVPTGNCPTH-VQHVLOKHSA-N 286.350 3.863 30 20 CHED OC(=Nc1csc(-c2ccncc2)n1)[C@H]1CCCS1 328747278 LPPODCXCAZZDOP-SNVBAGLBSA-N 291.401 3.689 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(NCc2ccco2)cc1 195120957 KSXYYMAHFDWXMP-UHFFFAOYSA-N 296.370 3.706 30 20 CHED N#CCSCC(=O)Oc1cccc(Oc2ccccc2)c1 194098771 GVNLFNGVJHDRCF-UHFFFAOYSA-N 299.351 3.641 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(CC#N)c2)C1 334982896 VGNCQGCDXMXYMP-UONOGXRCSA-N 285.391 3.795 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(C)(C)c1ccc(F)cc1 424641595 JFMXNWPAKWHEQK-UHFFFAOYSA-N 277.383 3.822 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1ccccc1F 421353039 RWVJCSHZXBYDCM-HNNXBMFYSA-N 274.364 4.000 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1cc(F)ccc1F 330768335 XXZCKATYPGRQKH-CQSZACIVSA-N 266.291 3.598 30 20 CHED C=CCC1(C(=O)Nc2cc(F)c(F)cc2F)CCC1 191272773 APWRBTGYCJPTIV-UHFFFAOYSA-N 269.266 3.789 30 20 CHED C=CCC1(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)CCC1 190309727 LGKOBVUKWUGKNM-ZDUSSCGKSA-N 295.382 3.840 30 20 CHED Cn1ccc2cccc(NCc3cccc(C#N)c3)c21 190803389 KEOONLWGXZMMSC-UHFFFAOYSA-N 261.328 3.662 30 20 CHED N#Cc1c(N2CCC[C@H]2c2ccccc2)ncc2c1CCC2 425212789 XGOMJMBYEMAROL-SFHVURJKSA-N 289.382 3.783 30 20 CHED COc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1Br 334695264 STKOCOYPCIHCFJ-VHSXEESVSA-N 295.180 3.562 30 20 CHED C=CCc1cc(CN2CCC[C@@H](C)[C@H]2C)cc(OC)c1O 512652020 GWRJQXDQLVYRLS-ZIAGYGMSSA-N 289.419 3.750 30 20 CHED N#CCc1cccc(NC(=O)N2CCC[C@@H]2C2CCC2)c1 334741403 UDJMKXKEWGOZOO-MRXNPFEDSA-N 283.375 3.549 30 20 CHED CC[C@@H](/N=C(/O)c1cc(C)cc2c[nH]nc12)C(C)C 330438042 NNICLZQQFMSHMT-CYBMUJFWSA-N 259.353 3.611 30 20 CHED CC(C)(C)c1cnc(N=C(O)[C@H]2CCCOCC2)s1 330153194 XBMCBKGXJZUAAN-JTQLQIEISA-N 282.409 3.845 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N(C)c1cc(Cl)cc(Cl)c1 334564051 QXWKTTJHQXXOCE-ISVAXAHUSA-N 283.158 3.506 30 20 CHED C[C@H]1CCC[C@H](CN(CCC#N)Cc2cccnc2)C1 179360266 IGUBHGRGDVNPPZ-HOTGVXAUSA-N 271.408 3.624 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCc2cc(F)c(F)cc21 425432294 HRJJWUYGIAVOOV-UHFFFAOYSA-N 279.330 3.846 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 331019746 JIIIHVFGBJEGSR-DJIMGWMZSA-N 284.403 3.769 30 20 CHED C[C@H](Nc1cc(Cl)ccc1C#N)c1ccncc1F 337881277 YIJZBSHINGGHNF-VIFPVBQESA-N 275.714 3.919 30 20 CHED N#Cc1cccc(/C=C/c2nc3c(C(=O)O)cccc3o2)c1 439283458 ZBZZDSXDUNMERZ-BQYQJAHWSA-N 290.278 3.568 30 20 CHED Cc1cc(N(Cc2ccc(C#N)cc2)CC(C)C)nc(C)n1 436289891 IMZBSDLTYIDTJE-UHFFFAOYSA-N 294.402 3.628 30 20 CHED CCn1cc(-c2ccc(OCCCC(C)(C)C#N)cc2)nn1 432331866 RCAYQYRHWWOSOC-UHFFFAOYSA-N 298.390 3.674 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 247070407 WTWHYXPBUIZXQZ-XOKHGSTOSA-N 279.339 3.789 30 20 CHED Cc1cc(=NCC(C)(C)CCC#N)c2cc(F)ccc2[nH]1 340939372 RIJRTEZXBNJARQ-UHFFFAOYSA-N 285.366 3.846 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2C[C@H](c3ccccc3)C2)n1 435606968 YUEBFMRYLUCOAC-WKILWMFISA-N 277.371 3.928 30 20 CHED COCc1cc(C#N)ccc1NCc1ccc(C)c(OC)c1 603281195 QQVJQKLBTJRWOV-UHFFFAOYSA-N 296.370 3.634 30 20 CHED C[C@H](CCC#N)N1CCC[C@]2(CCc3ccccc3O2)C1 528729794 OAWPAHNHQKTRJO-QAPCUYQASA-N 284.403 3.538 30 20 CHED CCC[C@@H](C(=O)N(CC)[C@H](C)C#N)c1cccc(Cl)c1 600109930 SIWLNAYQZVZKOG-IUODEOHRSA-N 292.810 3.984 30 20 CHED CC(C)[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1F 601964778 UKGGPSJRTZRRBN-HNNXBMFYSA-N 278.346 3.945 30 20 CHED CC[C@@H](Nc1cncc(C#N)n1)c1cc(C)ccc1C 528225301 WKVJQSDYFXCCNE-OAHLLOKOSA-N 266.348 3.528 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1C[C@@H]1c1ccccc1 342474000 LUZUFYMZFMISSB-ZWKOTPCHSA-N 298.430 3.969 30 20 CHED Cc1ccccc1[C@H](NCc1cccc(C#N)n1)C1CC1 602544270 HEEMPKRKEICHBW-GOSISDBHSA-N 277.371 3.503 30 20 CHED C=C(C)CON=Cc1cccc(OCc2ccncc2)c1 255621765 XYMACOYBNRSVOS-UHFFFAOYSA-N 282.343 3.587 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc(Cl)cc(Cl)c1F 601445003 NPFLVEJCJGDMSU-MRVPVSSYSA-N 289.137 3.555 30 20 CHED C=CCCC(=O)Nc1nc2c(s1)C[C@H](CC)CC2 522569041 BWRJZGINRCWRBE-SNVBAGLBSA-N 264.394 3.563 30 20 CHED CCCC[C@@H](CC)CNC(=O)[C@@]1(C#N)CC12CCCC2 448652678 YYVVPPGJMSUAQJ-PBHICJAKSA-N 276.424 3.793 30 20 CHED Cc1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)[C@@H](C)C2 348378578 JSLPQPBZPOVEMF-BBRMVZONSA-N 254.377 3.512 30 20 CHED C=CCC(C)(C)c1noc(C[C@H](C)c2ccco2)n1 528202411 LJAITNMSNDKHHM-NSHDSACASA-N 260.337 3.863 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cnn(Cc2ccccc2)c1 255337722 AAGUBVXJVYMXBQ-FPLPWBNLSA-N 292.338 3.729 30 20 CHED N#CCN(C(=O)Cc1cc2ccccc2o1)c1ccccc1 604517626 XHGYRAZTXBRDFI-UHFFFAOYSA-N 290.322 3.532 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1cccc(O)c1 354869406 QVPUFJFCALBNIW-UHFFFAOYSA-N 282.343 3.663 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(CC#N)cc1 533949696 SWFKWNBFQWPNTC-ZBFHGGJFSA-N 284.403 3.699 30 20 CHED N#Cc1ccc(Oc2nc(C3CC3)nc3c2CCC3)cc1 534300545 GWTOWSFZNKFYKD-UHFFFAOYSA-N 277.327 3.507 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H]2C(C)C)cc1 358368712 OZHGOPRGXCMAHU-MRXNPFEDSA-N 273.376 3.512 30 20 CHED CN(CCCc1ccccc1)c1nc2c(cc1C#N)CCC2 533886065 LTTSQTXGVWEIHG-UHFFFAOYSA-N 291.398 3.511 30 20 CHED C=CCOCCCSCc1ccc(F)cc1C 530367231 GUDLMIZUEHSXMX-UHFFFAOYSA-N 254.370 3.960 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@H](C)c1cc(F)cc(F)c1 449298150 GDBXECIQYHFNAP-DCGLDWPTSA-N 295.373 3.639 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)CC1CCCCC1 446191029 FZCBELCTVFFJHQ-OLZOCXBDSA-N 252.402 3.609 30 20 CHED CC(C)[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1nc2ccccc2[nH]1 446822257 VOZBNDDBULOZJD-VBQJREDUSA-N 296.418 3.932 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C1=C(C)CC(C)(C)CC1 448723785 IXWATNCRPUESLX-GFCCVEGCSA-N 262.397 3.521 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@@H](OCC)C23CCCC3)CCC1 359407729 AIJUPGPJBBGLOD-HUUCEWRRSA-N 291.435 3.587 30 20 CHED C=CCN(C(=O)c1cnc(-c2ccsc2)s1)C1CC1 357508755 BOPDVASVHLHLGJ-UHFFFAOYSA-N 290.413 3.662 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2cnccc2C#N)cc1 538760062 OVPMEUCUMKVXFP-UHFFFAOYSA-N 279.387 3.676 30 20 CHED C=CCCOCCN[C@H](CC)c1cc(Cl)ccc1OC 358380756 LUTIOIIBGMHNKC-OAHLLOKOSA-N 297.826 3.982 30 20 CHED CCC[C@]1(C)CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 449998201 GXQQWSIVOJKYNH-AEFFLSMTSA-N 288.435 3.889 30 20 CHED C=CCCNC(=O)C1(c2ccc(F)cc2)CCCCC1 617614571 FRGYDBWGESUMDR-UHFFFAOYSA-N 275.367 3.720 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H]1COc2ccccc21 449329406 OCHORPUMQVFQSJ-HUUCEWRRSA-N 259.393 3.887 30 20 CHED C=CC[C@@H]1N(C(=O)NC[C@@H]2CCSC2)CCCC1(C)C 448256548 PHLKPSVSPLULAD-KBPBESRZSA-N 296.480 3.516 30 20 CHED CCc1cnc(CNCc2ccc(C#N)c(Cl)c2)s1 619748882 WWNVEXJZVPBZSU-UHFFFAOYSA-N 291.807 3.520 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1 537230473 LZGCKOMPHQVNLW-GJZGRUSLSA-N 275.392 3.623 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)N1CCc2ccccc2C1 358631349 AQKGHBRGRLHIQV-AWEZNQCLSA-N 289.444 3.659 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CSc2ccc(F)cc2)C1 617788963 VWEWYBAWYMDCIC-CYBMUJFWSA-N 293.407 3.733 30 20 CHED C=CCCCC(=O)Nc1nc2c(OC)cc(F)cc2s1 531359249 IHYMJSMQQYWYTL-UHFFFAOYSA-N 294.351 3.739 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cnc(C(C)(C)C)s2)C1 617785016 BOUCYYWYKWIIQE-GFCCVEGCSA-N 292.448 3.869 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccn(C2CCCC2)n1 357308486 SDQGISAMYMIDPS-UHFFFAOYSA-N 288.439 3.760 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccc(F)cn3)no2)cc1 445383034 CORHBARGTCNAIZ-UHFFFAOYSA-N 297.289 3.503 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 359392056 SJAIBEFIIDKVBU-OWCLPIDISA-N 274.408 3.521 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccco1 453332547 AXQHVAUELXKXHI-MELADBBJSA-N 271.364 3.779 30 20 CHED CCC1(CN[C@H]2CCCc3cc(C#N)ccc32)CC1 611394595 RYNVGFQEGALJIK-INIZCTEOSA-N 254.377 3.715 30 20 CHED C=CCC1(CNC(=O)c2cc(C)n(C(C)C)n2)CCCC1 456499942 CEYXUOJNPOKCDE-UHFFFAOYSA-N 289.423 3.639 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 459103724 URCZWFAJIVHRDZ-DLBZAZTESA-N 286.419 3.930 30 20 CHED CCC[C@H](C)N(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 263724773 WVNDUAWFAXJDCF-LBPRGKRZSA-N 290.411 3.767 30 20 CHED CC(C)(C(=O)NCC1(C#N)CC1)c1ccc2ccccc2c1 619546232 DKQKGQRVZKIZGC-UHFFFAOYSA-N 292.382 3.537 30 20 CHED Cc1c(Cl)cnc(N2CC(Cc3ccccc3)C2)c1C#N 612092305 INBDZNJNRMWJPS-UHFFFAOYSA-N 297.789 3.594 30 20 CHED CCCCCCCCCC(=O)N1CC([C@@H]2CCOC2)C1 366225567 RVFDBAXCGVVRKY-OAHLLOKOSA-N 281.440 3.622 30 20 CHED N#CCCCC(=O)NCc1ccccc1Oc1ccccc1 360100437 YSOQJZVNGOFIIU-UHFFFAOYSA-N 294.354 3.789 30 20 CHED C=CCn1c(SCc2cn(C)nc2C)nc2ccccc21 450613219 TUWUQCZGRFDURZ-UHFFFAOYSA-N 298.415 3.557 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(C)cccc2C)C1 617783020 RNOXDKQDXFYWHN-OAHLLOKOSA-N 257.377 3.732 30 20 CHED C=CCC[C@H](NC(=O)Cc1cncs1)c1ccccc1 276287025 UKXMEZQKTLNPKZ-HNNXBMFYSA-N 286.400 3.509 30 20 CHED CN(Cc1ccc(CC#N)cc1)[C@H]1CCc2ccccc2C1 544146187 QGEOQLRGDSEELG-FQEVSTJZSA-N 290.410 3.742 30 20 CHED Cc1noc(CSc2ccc(C#N)c(C(F)(F)F)c2)n1 272432017 QYZMGPZMAYSRMO-UHFFFAOYSA-N 299.277 3.561 30 20 CHED C=C(CC)CNC(=O)C[C@H](C)c1c[nH]c2ccccc12 456814236 SZHIBEOSPLBLKV-ZDUSSCGKSA-N 270.376 3.744 30 20 CHED Cc1ccccc1[C@@H](NCCC(C)(C)C#N)C1CC1 272011071 KIGPYHYAJJDURE-INIZCTEOSA-N 256.393 3.976 30 20 CHED C=CCC(C)(C)CNC(=O)N1[C@@H](C)CC[C@H]1CC 458815781 YTVJKVAOGGLNDS-QWHCGFSZSA-N 252.402 3.561 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)COC2 453394574 WANAYJZCHOCODD-GFCCVEGCSA-N 296.345 3.578 30 20 CHED C=C(CC)CNC(=O)c1cccc(-c2csc(C)n2)c1 456813732 RJSVPHZRUVOMOE-UHFFFAOYSA-N 286.400 3.815 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)CCSCC 540567356 GPMMVGPIEACJEK-ZIAGYGMSSA-N 286.485 3.904 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1ccccc1Cl 454151491 HHCOOAISRDFYBC-LLVKDONJSA-N 266.772 3.666 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)c2ccccc2O1 544145846 APKIPZAOWNZKTO-CQSZACIVSA-N 278.355 3.540 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](COc2ccccc2)C1 275990170 MTDLSZLXLPLDMU-CRAIPNDOSA-N 287.403 3.516 30 20 CHED C=CCCc1noc([C@@H](C)OCc2ccc(C)cc2)n1 624637603 RRACFOBMDHSORZ-CYBMUJFWSA-N 272.348 3.774 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccccc3F)C2)s1 271203619 VGDGQDPMPQYFFQ-GFCCVEGCSA-N 286.375 3.748 30 20 CHED CC(C)C[C@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CCO1 272023079 PVZJUQIFPYNLLO-RYUDHWBXSA-N 293.798 3.612 30 20 CHED C=C(CC)CNC(=O)C(C)(C)c1ccccc1Cl 456827005 KBPDKEKFVFYOBG-UHFFFAOYSA-N 265.784 3.700 30 20 CHED C=C(CNCc1ccc(OC)c(F)c1)c1ccccc1 620756845 RFSUVDCONWHMPQ-UHFFFAOYSA-N 271.335 3.637 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 454922511 WHYWPSANMYTXEC-MJBXVCDLSA-N 264.413 3.561 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 540351913 LMILXAHBCBTODS-CYBMUJFWSA-N 272.392 3.652 30 20 CHED C=CCC[C@H](C)NCc1cn(CCCCC)nc1C 544612883 AEAYFEOYBABWTG-AWEZNQCLSA-N 263.429 3.826 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CCC(C)C)C1CC1 549232773 HFYSVDZKCNQRMF-BBWFWOEESA-N 265.441 3.772 30 20 CHED C#CCCCCc1nc(Cc2cccc3cccnc23)no1 271575134 WFGUQUSTQJMOFS-UHFFFAOYSA-N 291.354 3.555 30 20 CHED C=CCCc1nc([C@@H]2CCCc3cc(OC)ccc32)no1 547251222 AKCYCADBIHBZQN-OAHLLOKOSA-N 284.359 3.665 30 20 CHED C=CCCC[C@H](C)NC(=O)CCNc1ccccc1C 540527928 CJEBMDLBDPJCJJ-HNNXBMFYSA-N 274.408 3.658 30 20 CHED C=CC(C)(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 628316286 PTQPVDFOJWDAFW-UONOGXRCSA-N 293.357 3.787 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 462965841 PAQHJOJBNJFMIM-JTNHKYCSSA-N 281.346 3.979 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)CCC1 280712762 PGNPDTVBXFYWRV-WKILWMFISA-N 269.388 3.795 30 20 CHED C=CCCC[C@H](C)N[C@H](C(=O)OC)c1ccccc1C 467002727 BWUHVXOVLSZJJF-HOCLYGCPSA-N 275.392 3.544 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(C)cc2OC)no1 558385911 HEXXNLWCWYHNIN-INIZCTEOSA-N 272.348 3.907 30 20 CHED C=CCCN[C@@H](COc1ccccc1F)C(C)(C)C 555053269 NMYVCWCIWFZUME-HNNXBMFYSA-N 265.372 3.785 30 20 CHED Cc1cc(Cl)ccc1C(=O)N1CCc2ccc(C#N)cc21 550155028 XEXFTQKXMKQPQM-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CC(C)CN(C(=O)[C@H](C)C(F)(F)F)c1ccc(C#N)cc1 463596315 ZVUUGRJCPOWNDJ-NSHDSACASA-N 298.308 3.746 30 20 CHED C[C@H](C#N)CNC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 555990447 GVRMFHSRWUJOLR-OCCSQVGLSA-N 285.391 3.506 30 20 CHED C=C[C@H](C)NC(=O)CCCC(=O)c1c(C)cc(C)cc1C 465106661 GMYWFPDCVPUZCZ-HNNXBMFYSA-N 287.403 3.656 30 20 CHED N#Cc1cc(F)c(CNc2cc(C3CC3)ccn2)c(F)c1 289760695 IXOINNOMOPYYGP-UHFFFAOYSA-N 285.297 3.721 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(F)cc1OCC 466379165 VVONUQYDQGUMFS-GFCCVEGCSA-N 280.343 3.701 30 20 CHED CCCc1ccc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)s1 633898950 CHTFYRSNFCGDPQ-CYBMUJFWSA-N 299.399 3.598 30 20 CHED C/C=C\c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 553702629 SOWAVJUELOFIPY-IHWYPQMZSA-N 262.312 3.844 30 20 CHED CC[C@H]1CN(CCCC(C)(C)C#N)c2ccccc2O1 472237664 GJDWUQZOLQJYQC-AWEZNQCLSA-N 272.392 3.994 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C(C)=O)ccc1Cl 297987414 YHBZSAIPWMURJG-UHFFFAOYSA-N 265.740 3.693 30 20 CHED C=C(Cl)CN(CCC)[C@H](C)CC(=O)Nc1ccccc1 800466902 JLTRFQBKJRCXLP-CQSZACIVSA-N 294.826 3.868 30 20 CHED C=C(C)Cn1c(CC)nnc1N(Cc1ccccc1)C(C)C 558628841 QGVUWBMTGHKUHY-UHFFFAOYSA-N 298.434 3.832 30 20 CHED C=CCOCCCN1CCCC[C@H]1c1ccc(F)cc1 470760682 RPJVZHPDARTYNR-KRWDZBQOSA-N 277.383 3.945 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N(C2CC2)C2(C#N)CCC2)cc1 551307132 KWNXOFFTHFIMMQ-HNNXBMFYSA-N 296.414 3.611 30 20 CHED C#C[C@@H](C)NCc1ccc(N(C)c2ccccc2)cc1 809683023 MEYPMWBGZRJRCQ-OAHLLOKOSA-N 264.372 3.566 30 20 CHED CC(C)CON=C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 807978848 FKQRYLASVVJZDW-KBPBESRZSA-N 298.427 3.680 30 20 CHED CCc1ccc(N(C(=O)CCCC#N)C(C)C)cc1 291589520 LCFVOHVIUJYULT-UHFFFAOYSA-N 258.365 3.684 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)CSC2CC2)s1 297843423 RMFOHQXFRRTKKU-UHFFFAOYSA-N 294.445 3.751 30 20 CHED C=CCC[C@H](CC)NC[C@@](C)(CO)Cc1ccccc1 477844040 HUSBMJJQXKXKTC-ROUUACIJSA-N 275.436 3.562 30 20 CHED COc1ccc(N(C#N)Cc2ccc(C#N)cc2Cl)cc1 478741031 TWTCSQSONSVMEF-UHFFFAOYSA-N 297.745 3.708 30 20 CHED C#Cc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1 809583198 JKBQKYOGRSVKMD-FQEVSTJZSA-N 290.410 3.744 30 20 CHED C=CCOCCSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 292541006 BENBHOOEEJAOIH-JSGCOSHPSA-N 295.452 3.632 30 20 CHED C[C@H]1/C(=C\c2cccc(C#N)c2)C(=O)c2ccccc21 809158923 FSGDDPRANBMYCY-YXHQGMJNSA-N 259.308 3.942 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H]2CC23CCCC3)cc1 564218581 HTYHHPXWSBPZKP-CVEARBPZSA-N 282.387 3.510 30 20 CHED C#Cc1ccc(CN[C@@H]2COc3ccc(Cl)cc32)cc1 809626409 FMAWENCWHNRAJW-MRXNPFEDSA-N 283.758 3.545 30 20 CHED COc1ccc(C#N)cc1NCC[C@H]1CC1(Cl)Cl 819069273 ODFHGTLYGYRZMU-JTQLQIEISA-N 285.174 3.563 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ncc(Cl)n1C)CC2 295921845 MYUNLKQMEHUWBP-XYOKQWHBSA-N 286.762 3.594 30 20 CHED Cc1cc(F)ccc1COC(=O)[C@]1(C#N)CC12CCCC2 297374515 VZCFACFZIXJSML-QGZVFWFLSA-N 287.334 3.651 30 20 CHED C#Cc1ccc(CNc2ccn(CCC(C)C)n2)cc1 809628006 BHDNXDJGXFIVFS-UHFFFAOYSA-N 267.376 3.523 30 20 CHED Cc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1 806578459 SVRKZAPTHZXLIV-XYOKQWHBSA-N 269.731 3.866 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 293154674 RTZIHHQLRNYPQT-ZDUSSCGKSA-N 285.391 3.521 30 20 CHED CCc1ccc([C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)C)cc1 479595351 XYVNUXQPXINTOS-KRWDZBQOSA-N 295.386 3.576 30 20 CHED C#Cc1ccc(CNCCc2nc(C(C)(C)C)cs2)cc1 809615519 GYDOBLJFQYYILY-UHFFFAOYSA-N 298.455 3.754 30 20 CHED N#CC1(CCSC[C@@H]2CCNC(=O)CC2)CCCCC1 563622341 HTJUPYRYCREAAE-AWEZNQCLSA-N 294.464 3.500 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2/C=C\c2ccccc2)nc1 568103763 KCLNELFSGJTWTQ-ZMOVQZPESA-N 289.382 3.631 30 20 CHED N#CCCNCCSCc1ccc(Cl)cc1Cl 567686356 CYAHRMZHCQILRS-UHFFFAOYSA-N 289.231 3.730 30 20 CHED CC(C)(C)[C@H](Nc1ccnc(C#N)n1)c1cccc(F)c1 569120046 ASAXNPRDSQASMK-OAHLLOKOSA-N 284.338 3.687 30 20 CHED CN(C)c1ccc(CSc2cccc(C#N)c2)cc1 814752375 JVZHZZSKMRTRTL-UHFFFAOYSA-N 268.385 3.917 30 20 CHED Cc1ccccc1C(=NN[C@@H](C)c1ccncc1)C1CC1 819815202 NUDPRYGJLAYYRL-AWEZNQCLSA-N 279.387 3.855 30 20 CHED COc1ccc([C@@H](C)C(C)=NOC/C=C/Cl)cc1 811668337 NAAMGZRWDQYMFB-VTSQOEBLSA-N 267.756 3.944 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)[C@H](C)C1CCCCC1 480351973 HLEJNAQEFKDCQB-RRFJBIMHSA-N 281.440 3.689 30 20 CHED Cl/C=C/CON=Cc1cccc(-c2cccnc2)c1 811672024 OGXPEENUZJNQKZ-ASUVHLPYSA-N 272.735 3.852 30 20 CHED Nc1nc(Cl)cc(NN=C2CCCCC23CCCC3)n1 814899363 RZVTXJALEVEGGD-UHFFFAOYSA-N 293.802 3.615 30 20 CHED C=CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccncc1 810219789 WKCBITCBEYDLRO-OALUTQOASA-N 289.382 3.848 30 20 CHED Cc1sccc1C=NNCCCc1ccccc1 814837877 OZKMWIBEBAQWLZ-UHFFFAOYSA-N 258.390 3.613 30 20 CHED Cc1cc(CNC2(c3cccc(F)c3)CC2)ccc1C#N 488141960 CEXZXRGMGSVQFU-UHFFFAOYSA-N 280.346 3.785 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(F)c(C)c2)c1O 812412952 JFTQTZKFDOXJSH-ODLFYWEKSA-N 287.334 3.858 30 20 CHED CCC(=NNCc1ccc(Cl)cc1)c1cccc(N)c1 814873411 ZYLBOQGXYPSHRT-UHFFFAOYSA-N 287.794 3.826 30 20 CHED C=CCCCCCCCNC(=S)NC1CCC1 814204873 NMLMLVVLYWRCGU-UHFFFAOYSA-N 254.443 3.530 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc2ncsc2c1 488478894 NNPBGGXHIAKAAF-UHFFFAOYSA-N 283.356 3.536 30 20 CHED N#Cc1ccc2[nH]c(=NCc3coc4ccccc34)ccc2c1 574352195 UIMKUGUTLLPBLI-UHFFFAOYSA-N 299.333 3.887 30 20 CHED C=C[C@@H](CC(=O)N1C[C@@H](C)OC2(CCC2)C1)c1ccccc1 571048884 MXNPEOPEVDJXIP-CVEARBPZSA-N 299.414 3.516 30 20 CHED Cc1c[nH]nc1C=NNc1c(C)cccc1C(C)C 814935847 XYPBAQXWVGWWHZ-UHFFFAOYSA-N 256.353 3.596 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)Cc1cnc2ccc(C#N)cn12 575028028 OHIIDBGXNLXDKR-WBVHZDCISA-N 296.418 3.607 30 20 CHED C#C[C@@H](NC(=O)C12CCC(CC1)C2)c1ccc(Cl)cc1 811945967 LWFQMMPIZPLKAM-YAJUMTOWSA-N 287.790 3.711 30 20 CHED Cc1cc(CN(C)Cc2cccc(C#N)c2)ccc1N(C)C 815009205 ALCPFIQIJYEGAF-UHFFFAOYSA-N 293.414 3.565 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCC[C@H]2C)cc1 728712979 HBXNWLQHDSIMML-CKEIUWERSA-N 272.392 3.646 30 20 CHED CCCCC[C@H]1CCCN1C(=O)NCC#Cc1ccccc1 487679113 SENJALOVDZIDFY-SFHVURJKSA-N 298.430 3.792 30 20 CHED CC1(C)Cc2cc(C=NNCc3ccccc3)ccc2O1 729144463 XMLHPWWYHJUZPI-UHFFFAOYSA-N 280.371 3.524 30 20 CHED C=CC[C@@H](Cc1ccccc1)n1cc(C(=O)C2CCC2)nn1 656457574 OQFQDXWEAUKFCB-INIZCTEOSA-N 295.386 3.621 30 20 CHED CC#CCN[C@H](c1cc(F)cc(Br)c1)C1CC1 481728106 KBXJSVOAVSGVOG-AWEZNQCLSA-N 296.183 3.652 30 20 CHED C=CCCC(=O)OCC(=O)c1cc(CC)ccc1CC 726649641 AEHFJGAOPXPRED-UHFFFAOYSA-N 274.360 3.504 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCc2cc(C)ccc21 571452328 TZSYLDBXJXXNOS-UHFFFAOYSA-N 282.391 3.590 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1c(Cl)cnn1C 823062770 OTQTWFYWGLCNJE-GFCCVEGCSA-N 299.846 3.800 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)nc2)CCCCC1 827035015 LSERBORTEVFTRS-UHFFFAOYSA-N 262.328 3.686 30 20 CHED CC[C@H](NCC[C@H](C)N1CCCCC1)c1ccc(C#N)cc1 571610342 AXZFKBFAXYKSHE-LPHOPBHVSA-N 299.462 3.863 30 20 CHED C#CCN(C)C(=O)Nc1ccc2oc3ccccc3c2c1 491047929 WECQPYNZABJWOA-UHFFFAOYSA-N 278.311 3.683 30 20 CHED C#C[C@H](N[C@H](C)C1CCOCC1)c1ccc(Cl)cc1F 491473263 BZNDJJKIBILIRA-BZNIZROVSA-N 295.785 3.558 30 20 CHED C=CC[C@@H](NC1CCC(C)(C#N)CC1)c1ccncc1 823887421 HOFGNMMOEANPGF-AQFXKWCLSA-N 269.392 3.761 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cccc(CCC(F)(F)F)c1 491191944 JKNJYBGARRRUQW-LBPRGKRZSA-N 298.308 3.715 30 20 CHED N#Cc1ncccc1N1CC=C(c2ccc(Cl)cc2)CC1 583785160 OXCOIWZMJLMCCZ-UHFFFAOYSA-N 295.773 3.900 30 20 CHED CCCCCCC[S@@](=O)Cc1nc2ccccc2[nH]1 905183996 LKGCQCHQQNOWJA-LJQANCHMSA-N 278.421 3.782 30 20 CHED C#CC1CCN(C(=O)N[C@H](c2ccccc2)C2CCC2)CC1 825917565 XKUBXRQRBNMKHI-GOSISDBHSA-N 296.414 3.583 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1 583773931 RSVHQMFAHUBLAX-RDJZCZTQSA-N 291.398 3.953 30 20 CHED N#Cc1cccc(C2(NCC3Cc4ccccc4C3)CC2)c1 581639145 BIGVXXLGPWZVEA-UHFFFAOYSA-N 288.394 3.552 30 20 CHED C=CCCC1(c2nc(C3(COC)CCCCC3)no2)CC1 580382474 VOESZXCGJSCFIL-UHFFFAOYSA-N 290.407 3.916 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(Cl)c(C)cc1Cl 491538403 YXWGFMGAFGPXPC-VIFPVBQESA-N 285.174 3.787 30 20 CHED Fc1ccc(NN=Cc2cccc(F)c2F)cc1 730723211 ZVFJWLVUUVHPSO-UHFFFAOYSA-N 250.223 3.550 30 20 CHED Cn1cc(Cl)cc1C(=O)OCCCCC1(C#N)CCC1 908760306 BYXJSKAFRORNJL-UHFFFAOYSA-N 294.782 3.699 30 20 CHED C=C(C)CNC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 490058580 KGVPHCADSMTDHY-OAHLLOKOSA-N 295.382 3.813 30 20 CHED C=CCCc1noc(-c2cccc(OC)c2OC(C)C)n1 664896812 IGOUMMVIXRKSGI-UHFFFAOYSA-N 288.347 3.651 30 20 CHED CCS[C@@H]1CCC[C@H](NC(=O)CCCCCC#N)C1 588160485 WICRYNMWZUWBKR-UONOGXRCSA-N 282.453 3.641 30 20 CHED N#CC1(CCCCOC(=O)c2cccnc2C2CC2)CCC1 909156955 OWIHZCCTDWDUEU-UHFFFAOYSA-N 298.386 3.980 30 20 CHED C=CC[C@H](NC(=O)C[C@@H](C)CC(C)C)c1ccncc1 734456849 DMPGJHUXLSRPLX-HOCLYGCPSA-N 274.408 3.887 30 20 CHED C#CCCOC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 730921953 NTHGEKLFXQYMHA-DLBZAZTESA-N 264.324 3.510 30 20 CHED CC[C@@](C)(OC)c1noc(-c2ccc(C#N)c(Cl)c2)n1 582696444 JKAIEZGGIYKIPF-CQSZACIVSA-N 291.738 3.533 30 20 CHED Cc1ccc([C@H](NCC2(C#N)CC2)C2CCCC2)o1 903105391 BVWOLMICPPGXPL-OAHLLOKOSA-N 258.365 3.713 30 20 CHED Cc1csc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1Cl 839060713 YRGIGEWOGDLFPZ-ZJUUUORDSA-N 283.780 3.949 30 20 CHED CC[C@@H](N[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1 902920170 SYFKXKRBXHYFBS-ZIAGYGMSSA-N 264.319 3.787 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(Cl)nc2)ccc1C 588598803 DQAXUSWBUDWHPU-ALCCZGGFSA-N 287.746 3.948 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1CC#Cc1ccc(F)cc1 679542728 BNLCYKFMVIGVLQ-TZMCWYRMSA-N 299.311 3.840 30 20 CHED CC(C)COc1ccc(C=NNc2ccc(F)cn2)cc1 731318728 LNJKMQCUHYXLSV-UHFFFAOYSA-N 287.338 3.702 30 20 CHED Cn1ncc(Cl)c1/C=C\C(=O)c1ccc(F)c(Cl)c1 588534760 HYZVQCUGJMCGQE-PLNGDYQASA-N 299.132 3.762 30 20 CHED COc1ccc(CCC(C)=NNc2ccc(F)cn2)cc1 731320072 UTJLEWLHFUJSFL-UHFFFAOYSA-N 287.338 3.650 30 20 CHED N#Cc1cccc(Oc2ccc(NCC3(O)CCC3)cc2)c1 581127517 XEVMBLXXXLATJU-UHFFFAOYSA-N 294.354 3.677 30 20 CHED CC(C)CCCCCCNC(=O)N(C)CC(C)(C)C#N 837327059 VQXREACZGCRHRG-UHFFFAOYSA-N 281.444 3.784 30 20 CHED C#CCOc1ccccc1OCc1cccc(F)c1F 730566865 MIXIHSZVMPZFNP-UHFFFAOYSA-N 274.266 3.556 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1ccc2c(c1)CCC2 837675514 BNTOIIJIJFGQDD-GFCCVEGCSA-N 271.360 3.719 30 20 CHED CCCCCCCNC(=O)[C@H](C)Oc1ccc(C)cc1 916663182 YGWHRGBVRJDWLB-HNNXBMFYSA-N 277.408 3.849 30 20 CHED C=C(Cl)CNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 836707400 OIAZFWOQWKNFQN-VIFPVBQESA-N 291.700 3.835 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 674952019 NUGWNIOMVCNQBC-KBPBESRZSA-N 296.370 3.526 30 20 CHED COc1cccc(O)c1/C=N/C[C@H]1CCCc2ccccc21 912962231 MMPIEHLANWTXFQ-OOWUWCJESA-N 295.382 3.940 30 20 CHED Fc1cc(NN=Cc2cccs2)ccc1Cl 747635106 GJYFISSNWRTNLB-UHFFFAOYSA-N 254.717 3.987 30 20 CHED C=CCOc1cccc(NC(=O)CC2(CSC)CC2)c1 593041072 HXDOECLCLQONMH-UHFFFAOYSA-N 291.416 3.723 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C(C)=C\c1ccccc1Cl 847167972 KESMSLDYNIHNNK-PRWOLLLXSA-N 276.767 3.504 30 20 CHED N#Cc1cccc(F)c1Cc1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 594534954 FXCCQJUGBLQDGU-CYZMBNFOSA-N 297.333 3.575 30 20 CHED CC(C)C[C@H](NCCc1ccc(C#N)cc1)c1ccccn1 595056112 RQARIZFNSVCONE-IBGZPJMESA-N 293.414 3.873 30 20 CHED N#CC1(CC(=O)OCc2ncc(Cl)s2)CCCCC1 849906672 HYYCMQWWSREVTB-UHFFFAOYSA-N 298.795 3.704 30 20 CHED CC[C@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccc(C)cc1 596099124 RPSLLSNTSVANIX-WBVHZDCISA-N 299.418 3.781 30 20 CHED N#CCC1(CNC(=O)c2coc3ccc(Cl)cc23)CC1 593146589 NCULLALZNOZFMF-UHFFFAOYSA-N 288.734 3.510 30 20 CHED CC[C@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1C[C@H]1C 591241368 RFRLPLMJRVHCJC-DGFSRKRXSA-N 262.784 3.736 30 20 CHED N#Cc1c(N2CC[C@H]2c2ccc(F)cc2)ncc2c1CCC2 596440574 KGUOGGAIAOPTAG-KRWDZBQOSA-N 293.345 3.532 30 20 CHED CCCc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cn2)cc1 915969654 UZUWHAGMGRRYIO-UHFFFAOYSA-N 298.346 3.778 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(C)[C@@H](C#N)CC)cc1 847170476 ZGMPMOTWHKGMET-SWLSCSKDSA-N 258.365 3.574 30 20 CHED C=CCN(C(=O)c1cn(CC)c2ccccc12)C(C)C 918701043 IRLHCOSXQHORJQ-UHFFFAOYSA-N 270.376 3.698 30 20 CHED C#CCCCCC(=O)OCc1ccc2nc(C)sc2c1 842857774 JDPQBGKCWZFFED-UHFFFAOYSA-N 287.384 3.842 30 20 CHED CCc1ccccc1NN=Cc1ccc(-n2cccn2)cc1 915051910 YQKJTNFFHVEBGW-UHFFFAOYSA-N 290.370 3.881 30 20 CHED Cc1ccc(C#N)cc1NC(=S)N[C@H]1CCCC[C@H]1C 746344534 TUTOIWMYXGEYPT-RISCZKNCSA-N 287.432 3.732 30 20 CHED CC(=NN(C)C[C@@H](C)O)C(c1ccccc1)c1ccccc1 841651252 DPJPUKRLYPNVBJ-OAHLLOKOSA-N 296.414 3.507 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cccc(OC(C)C)c1 918225819 USASWQJUAZBWAA-UHFFFAOYSA-N 290.407 3.581 30 20 CHED COc1cc(C)ccc1[C@H](C)NCC(C)(C)CC#N 591243107 WCHDVLZPXDRZRY-ZDUSSCGKSA-N 260.381 3.594 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N2CCC[C@@H](CC#N)C2)C1(C)C 597901095 GIQZXBFDKDGJKE-ZQIUZPCESA-N 276.424 3.601 30 20 CHED CN(C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1ccc(C#N)cc1 598814449 LNKSOILEYLGBJV-FVQHAEBGSA-N 282.387 3.737 30 20 CHED COc1cc(N[C@@H]2CCC[C@H](C#N)C2)cc(Cl)c1OC 846048769 KYOAUDLLVPPCFX-WDEREUQCSA-N 294.782 3.851 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F 916269201 XWPJPHHCLQBIFN-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CCS[C@H]1CCCC[C@H]1NCCc1ccc(C#N)cc1 595446363 CHOJMDWMVCDNHH-SJORKVTESA-N 288.460 3.755 30 20 CHED C[C@H]1N(C(=O)c2cccc(C#N)c2)c2ccccc2C1(C)C 598275337 OKBCIAMWMJSCKC-CYBMUJFWSA-N 290.366 3.885 30 20 CHED Cc1ncsc1/C=C\C(=O)c1ccccc1OC(F)F 742429025 DFYYARBWTQKXMF-SREVYHEPSA-N 295.310 3.949 30 20 CHED C=C[C@H](C)ON=C(C[C@H]1CCOC1)c1ccc(F)cc1 844624765 JEVGUPRVPSLRNR-QWHCGFSZSA-N 277.339 3.548 30 20 CHED CCCC(C)(C)C(=O)OCc1ccc(F)cc1C#N 845358189 ZJNRVTJNOXCEGM-UHFFFAOYSA-N 263.312 3.567 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]1c1cccc(F)c1 742426208 WQCPBFGHVVCJCO-MRXNPFEDSA-N 297.289 3.557 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(C)nc(Cl)c1 840288289 AGNKIJPFVPXUMI-UHFFFAOYSA-N 279.767 3.855 30 20 CHED C=CCN(C(=O)c1cc2ccccc2cc1OC)C1CC1 680398045 GTWDUIJBXMGJBU-UHFFFAOYSA-N 281.355 3.639 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccc(C(C)C)cc2)n(C)n1 841620104 UBWGCBAQUJZWGN-CQSZACIVSA-N 284.407 3.537 30 20 CHED Cc1cc(C#N)ccc1NC[C@H](C)c1c(C)noc1C 846754707 PJCZCSDZHNNXIX-NSHDSACASA-N 269.348 3.687 30 20 CHED C=CCC1(C(=O)OCc2conc2CC)CCCCC1 848764107 TYYVJZDEIZGILV-UHFFFAOYSA-N 277.364 3.807 30 20 CHED CCCCCC[C@@H](CC)C(=O)N1CCC[C@@H](C#N)C1 928223526 ZBNPMNXZZBKELS-LSDHHAIUSA-N 264.413 3.745 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)c1 921268930 GDEWXAVJKXMIID-VMPITWQZSA-N 294.350 3.827 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccc(F)cc1F 759074972 JCGWMIUWJYDARM-ARJAWSKDSA-N 285.702 3.971 30 20 CHED Cc1cc([C@@H](C#N)C(=O)[C@H](C)CCC(C)(C)C)nc(C)n1 755600214 RKMJCLJEHXQPLL-BXUZGUMPSA-N 287.407 3.732 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1ccccc1)OCC 756475590 CUQUCJASNVTSMD-UKRRQHHQSA-N 262.349 3.662 30 20 CHED COc1ccccc1C=NOCCCCC(F)(F)F 752755257 XPAVKGPNMJNKER-UHFFFAOYSA-N 275.270 3.778 30 20 CHED N#CCCCOc1cc(Cl)c([N+](=O)[O-])cc1Cl 920242524 AWGGBCPDMMRMIX-UHFFFAOYSA-N 275.091 3.584 30 20 CHED Fc1ccc(Cl)cc1C=Nn1cnc2ccccc21 753695290 OMRQTLMCUDTUBA-UHFFFAOYSA-N 273.698 3.711 30 20 CHED C=C(C)COC(=O)[C@H](C)Cc1ccccc1Cl 754304921 IWTQJCHZWUPGRC-LLVKDONJSA-N 252.741 3.638 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc2ccncc2s1 851204666 BZCZATNVJFYOPM-JTQLQIEISA-N 288.372 3.781 30 20 CHED N#Cc1ccc(C(=O)OCCCCC(F)(F)F)s1 751736783 BYJPXWGZRMSGIR-UHFFFAOYSA-N 277.267 3.509 30 20 CHED C=CC(C)(C)CCOC(=O)c1ncccc1Br 851300586 WNKXQMPQOZJVJU-UHFFFAOYSA-N 298.180 3.603 30 20 CHED CC(=NOCC(F)F)c1cc(Cl)c(N)c(Cl)c1 758904507 VLUOOWYYARCANL-UHFFFAOYSA-N 283.105 3.581 30 20 CHED CC(=NNc1nc(O)c2ccccc2n1)c1sccc1C 757583093 JSJVWUHOTDCVDA-UHFFFAOYSA-N 298.371 3.541 30 20 CHED COc1cc(F)ccc1NN=C(C)CC(C)(C)C#N 853339554 SVOAGTCMUXJWEN-UHFFFAOYSA-N 263.316 3.562 30 20 CHED CCCCCCCNC(=O)Nc1cc(C)cc(CN)c1 859703234 YTGDZUHAKMGNIA-UHFFFAOYSA-N 277.412 3.546 30 20 CHED CCC(=NNc1nc(O)c2ccccc2n1)c1cccs1 757582746 FAEIZFAJSNFBLQ-UHFFFAOYSA-N 298.371 3.623 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(Cl)c2occc12 931297599 ZGGNIFCKYPKJKH-HNNXBMFYSA-N 290.750 3.754 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)CC1(C#N)CCCCC1 850973340 QZEWHQYKEKJAIS-INIZCTEOSA-N 293.407 3.623 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CCC(=C2CCC2)CC1 853318902 IFQYAEDDVLSYLX-UHFFFAOYSA-N 286.335 3.812 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](c1ncccc1C)C(C)C 932900926 XUAYYYHKUXJEAK-GDBMZVCRSA-N 274.408 3.806 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1CCC1CCCC1 753259028 NPUIHGPATBSRMH-JKSUJKDBSA-N 276.424 3.543 30 20 CHED Cc1cc(F)ccc1NN=Cc1c(C)nc2sccn12 750938659 LCKQDFJJDOUUNY-UHFFFAOYSA-N 288.351 3.598 30 20 CHED C#CC[C@@H](NC(=O)c1cccc2[nH]ccc12)c1ccccc1 757616637 FJYOTHQZPNXUIK-QGZVFWFLSA-N 288.350 3.662 30 20 CHED CC(=NNc1ncnc2sc3c(c12)CCC3)c1ccoc1 755882263 ZUYXDXHLNFDWFD-UHFFFAOYSA-N 298.371 3.609 30 20 CHED Clc1ccc(C#CCN[C@@H](c2ccccn2)C2CC2)cc1 932379811 RTXXAYAKJADXKV-GOSISDBHSA-N 296.801 3.827 30 20 CHED C=CCCC(=O)COC(=O)/C=C(/C)c1ccccc1Cl 761402507 KJRHTUITSHPMQJ-BENRWUELSA-N 292.762 3.822 30 20 CHED C#Cc1ccc(NC(=O)N(C)[C@@H](C)CCSCC)cc1 934934992 JTDIROPQAVBLBV-ZDUSSCGKSA-N 290.432 3.663 30 20 CHED C#Cc1ccc(NC(=O)NC[C@@H](CC)CC(F)(F)F)cc1 934926644 FWMAGOLSDOKTDH-LBPRGKRZSA-N 298.308 3.768 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1occc1C 767777752 YKDJBQPBVRBUFC-UHFFFAOYSA-N 250.248 3.702 30 20 CHED C#CCCc1noc(-c2ccc(CN(CC)C(C)C)cc2)n1 762009572 UJKKVWNVJRBWPX-UHFFFAOYSA-N 297.402 3.533 30 20 CHED C[C@H](NCc1coc(C(C)(C)C)n1)c1ccc(C#N)cc1 930202100 JZVXVDGIMFYARL-LBPRGKRZSA-N 283.375 3.695 30 20 CHED Clc1cccc(Cl)c1NN=Cc1cscn1 763188912 ZBACTASKYOKCAT-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CC(C)[C@H]1CCCN1Cc1ccc(N(C)CCC#N)cc1 768318402 MFYXMAUWPYQJQD-GOSISDBHSA-N 285.435 3.657 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](Cc1ccccc1)C(C)C 761401050 FCGYVCOJCZFXPL-KRWDZBQOSA-N 288.387 3.580 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(OC)ccc1OCC 931996913 WUIFHEIKINVJFH-GFCCVEGCSA-N 277.364 3.635 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 765318393 IEYSALZLYCJATO-ZWKOTPCHSA-N 299.414 3.607 30 20 CHED Cc1cc(OC(=O)C2CCCCCC2)ccc1C#N 765093641 DHUDYFNRYJRBMJ-UHFFFAOYSA-N 257.333 3.743 30 20 CHED CC(=NOCC(F)(F)F)c1ccc(OC(F)F)cc1 764836738 YSLFRCBCBWZTHK-UHFFFAOYSA-N 283.196 3.591 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)O[C@H](C#N)C(C)(C)C 860646339 FXWPCWHLJWCLGB-DZGCQCFKSA-N 273.376 3.655 30 20 CHED N#CCCCCOC(=O)c1cc(Cl)cc(Cl)c1F 869699233 SOUYAQQVNJLKMI-UHFFFAOYSA-N 290.121 3.983 30 20 CHED CCOc1ccc(C=NOCc2ccc(Cl)cn2)cc1 767533234 ALDNBGNPQOEWEC-UHFFFAOYSA-N 290.750 3.684 30 20 CHED CC(=NNc1c(C)cccc1F)c1cccc([N+](=O)[O-])c1 769840888 OUAHTLKZZYXXAU-UHFFFAOYSA-N 287.294 3.878 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CSc2ccccc21 878885171 YHTBTVYPRRSYQW-LBPRGKRZSA-N 261.390 3.552 30 20 CHED C#CCCCN1CC=C(c2ccc(CC)cc2)CC1 772358006 VMDAYSOGOCACGO-UHFFFAOYSA-N 253.389 3.752 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Cl)cc1OC 772912007 JTXUXGYXNLCWLH-UHFFFAOYSA-N 279.767 3.871 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnn(CC(C)C)c1CC 879301225 MDVGOGCQHHOUGV-UHFFFAOYSA-N 277.412 3.642 30 20 CHED Cc1cc(F)ccc1C(=O)O[C@@H](C#N)C1CCCCC1 776396755 SRBNXPOSGWKNPB-HNNXBMFYSA-N 275.323 3.763 30 20 CHED Cc1cc(Cl)ccc1C=NOCCC(F)(F)F 777459278 PKFITMXYDVXEFV-UHFFFAOYSA-N 265.662 3.951 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H]2CC=CC[C@H]2C1)c1ccccc1 871520713 ORAUGIBAVCLNRU-RYQLBKOJSA-N 281.399 3.771 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cnn(C)c1C 778537880 HVFBKAVGJBRJHY-CYBMUJFWSA-N 298.434 3.927 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1nc2cccc(C)c2o1 1117756983 OBLRHJYTEHDHOT-OCCSQVGLSA-N 272.348 3.529 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC[C@@H](O)c1ccc(C#N)cc1 775683140 UHMDRBCRIFNAGK-BPQIPLTHSA-N 286.419 3.540 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cc1F 776726871 PAAUNEFXXVFABQ-KXFIGUGUSA-N 299.276 3.741 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 878040699 KUXPFZDXMASMOQ-MRXNPFEDSA-N 287.403 3.961 30 20 CHED N#CCCSc1ccccc1NC(=O)C1(F)CCCC1 772908014 LQKFSMJAVPYALE-UHFFFAOYSA-N 292.379 3.913 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H]1C[C@H](O)c1cccs1 876802103 BNAUCGYXGGKINA-KFWWJZLASA-N 292.448 3.576 30 20 CHED C[C@@H]1CC/C(=C\C(=O)O[C@H](C#N)C2CCCCC2)C1 776392314 ODSRDBCGGOTZFP-QEETYLAOSA-N 261.365 3.748 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)c1csc(C#N)c1)CCC2 1117806136 WERNPHOYNRTLAY-MRXNPFEDSA-N 296.395 3.736 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(Cl)c(C#N)c2)cc1 777854953 OIGGCWYIJWOABV-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1ccc(CF)cc1 777548789 SBKJTTYXWMJYPU-LJQANCHMSA-N 281.396 3.735 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H]1c1ccc(F)cc1 880675125 UJCAEDBJHJCFHX-CQSZACIVSA-N 261.340 3.701 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@@H]1CCC[C@H](C)C1 775938678 BHRGVEJURGVJFP-LSDHHAIUSA-N 285.387 3.854 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 775153229 OPIXRFLAOIUTAB-HNNXBMFYSA-N 289.419 3.794 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@@H]1C(C)(C)C)c1ccncc1 1123505292 NKGGZJZCGYHWKD-LSDHHAIUSA-N 287.407 3.529 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCOc2ccccc2C)c1 1129684792 HDMJRNSPZOISAC-UHFFFAOYSA-N 294.354 3.583 30 20 CHED COc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1 779462313 LJZYLZPGGPVHNP-QPJJXVBHSA-N 273.719 3.640 30 20 CHED C=C(C)CN(C)Cn1c(=S)n(CC)c2ccccc21 777960625 JXQRECIEDIAGAG-UHFFFAOYSA-N 275.421 3.658 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H]1CCC[C@@H](C)[C@@H]1C 779272967 FFGHLSBYWMIICK-HZSPNIEDSA-N 289.375 3.628 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 1123364370 IOJXLECHUJSDBP-CYBMUJFWSA-N 289.335 3.557 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2C2CC2)cnn1C 778518042 CHVSUNZXXSPBJV-MDZDMXLPSA-N 266.344 3.502 30 20 CHED Cc1ccc(COC(=O)c2cccc(CC#N)c2)c(C)c1 770114277 CGLHFYFBKGHENO-UHFFFAOYSA-N 279.339 3.727 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCCC[C@@H]1CC 1121657519 ZFZWXTLYGMPNEY-STQMWFEESA-N 294.468 3.657 30 20 CHED COc1ccc(NN=C(C)c2ccc(Cl)cc2)nc1 780270202 DSHAENWBEQBWGC-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C#CCC1(C(=O)NCC(CC)(CC)SC)CCCCC1 788230618 YXSGEEDGIDVZDA-UHFFFAOYSA-N 295.492 3.998 30 20 CHED C=CCOc1cccc(CNC(C)(C)C2CCOCC2)c1 785601629 LXZMNIDIQFKXKD-UHFFFAOYSA-N 289.419 3.546 30 20 CHED CCCC(=NNCCc1ccncc1)C1CCCCC1 789098029 ZYTLFEJYONOQBA-UHFFFAOYSA-N 273.424 3.950 30 20 CHED CO[C@@]1(C)CC(=NNc2ccc(C#N)c(Cl)c2)C1(C)C 783878501 WKNBCQCXEXJBMI-HNNXBMFYSA-N 291.782 3.815 30 20 CHED Cn1ncc(Cl)c1/C=C1/Cc2ccc(Cl)cc2C1=O 780187213 UDNTTZBMDNMNQQ-UITAMQMPSA-N 293.153 3.549 30 20 CHED C=CCCCCCOC(=O)c1csc([C@H]2CCCO2)n1 784381956 VXWJXSZWQAPFPK-CYBMUJFWSA-N 295.404 3.898 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCCO3)CCc2scnc21 899386724 DHBACQNDZGOKET-UKTHLTGXSA-N 297.379 3.681 30 20 CHED Cc1cc(C(=O)OCCCC(C)(C)C#N)cc(Cl)n1 784840112 PUXXHSUOVIRRCA-UHFFFAOYSA-N 280.755 3.530 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1csc(C)c1 899379436 HWHIIRYXJGJEDE-WAYWQWQTSA-N 261.346 3.811 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccc(Cl)nc3)cn2c1 789142224 IPKVAYAVAXGDPG-SNAWJCMRSA-N 297.745 3.587 30 20 CHED C#CCC1(C(=O)Nc2ccc(C)cc2O)CCCCC1 788491945 KJBLRSLOAXPULM-UHFFFAOYSA-N 271.360 3.613 30 20 CHED C=C1CCC(C(=O)NCC2CCC(F)(F)CC2)CC1 890432621 OYSKOJPFIKOEGT-UHFFFAOYSA-N 271.351 3.675 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2ccc(OC)cc2)CCCCC1 788179428 TZRCZRBWCDNMRZ-OAHLLOKOSA-N 299.414 3.846 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1ccsc1C#N 890617914 VHKMHECPCDNZST-CQSZACIVSA-N 282.368 3.727 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cnc(Cl)cc1Cl 890996777 DSKKERYORGEWCO-UHFFFAOYSA-N 286.162 3.657 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc(Cl)cc1 795005721 CYRRMSQLOASSQY-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)CCCC)c1ccncc1 799938539 XJJSOHADTCQDSR-DZGCQCFKSA-N 260.381 3.641 30 20 CHED C#C[C@H](CCC)NC(=O)N(CCC)[C@@H]1CCc2ccccc21 791069430 KWSVTHGYGOYNIV-SJLPKXTDSA-N 298.430 3.897 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1cc(C)n(C)n1 799870127 DHSGZOFLBSDWFJ-UHFFFAOYSA-N 297.189 3.871 30 20 CHED N#Cc1cccc(CN2CC[C@@H](C3CCCCC3)C2)c1 708834308 FAQFELXPSBMYQR-GOSISDBHSA-N 268.404 3.960 30 20 CHED N#Cc1cccc(Oc2cccc(C(F)(F)F)c2)n1 81620884 FENSEQMCUXGAOR-UHFFFAOYSA-N 264.206 3.764 30 20 CHED Cc1ccc(C(=O)N(C)c2cccc(C)c2C)cc1C#N 799320070 PVBMHKNZLJEYHC-UHFFFAOYSA-N 278.355 3.760 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cc(F)cc(F)c1O 798936866 MEJWDVACIACELR-GXSJLCMTSA-N 255.308 3.676 30 20 CHED C[C@H]1CC(=NNCc2cccc(Cl)c2Cl)CCO1 790184721 ZWTYSGJYUYQGFO-VIFPVBQESA-N 287.190 3.638 30 20 CHED Cc1csc(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1C#N 1204890019 VEWIWHKSSGQWHT-ZWNOBZJWSA-N 291.420 3.971 30 20 CHED CCc1cccc(C)c1NN=Cc1ccccc1[N+](=O)[O-] 799494338 IEJMWZCKXVAPBF-UHFFFAOYSA-N 283.331 3.912 30 20 CHED CC(C)(C)C1CCN(N=Cc2csc([N+](=O)[O-])c2)CC1 790181238 OKLBEPHIJFOVQX-UHFFFAOYSA-N 295.408 3.748 30 20 CHED CCC(=NNc1nccnc1Cl)c1cccc(C)c1 794912322 CIIXGYUCYVYHQR-UHFFFAOYSA-N 274.755 3.665 30 20 CHED C=C(Cl)CNC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 792598003 DEKWEAKXVDURKS-YPMHNXCESA-N 277.795 3.845 30 20 CHED CCCCc1nc(COc2cc(Cl)cc(C#N)c2)no1 588879721 IDMVRXQNWNEYRV-UHFFFAOYSA-N 291.738 3.516 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(O)cc1 684411223 HEJDABDDPPDSRQ-UHFFFAOYSA-N 267.372 3.971 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 769400483 YMDVRYXGJQYPOZ-HUUCEWRRSA-N 263.425 3.757 30 20 CHED C=CCN(Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C 775993262 SJDQTRSMGOXQTB-UHFFFAOYSA-N 291.782 3.786 30 20 CHED N#Cc1csc(CNCc2cccc(C(F)(F)F)c2)c1 93492087 HCJOOZZJQSNZMF-UHFFFAOYSA-N 296.317 3.928 30 20 CHED C[C@H](Cc1ccsc1)Nc1ccc(C#N)c([N+](=O)[O-])c1 94591763 BHSZCWSAYRTLBK-SNVBAGLBSA-N 287.344 3.571 30 20 CHED Cc1nc(C#N)cc(NCC[C@H](C)CC(C)(C)C)n1 1307093536 DFZQXMDCSBDDQV-NSHDSACASA-N 260.385 3.531 30 20 CHED Cc1nnc(Sc2ccc(Cl)c(F)c2)c(C#N)c1C 1163675336 DDZQJAUYFKPXHA-UHFFFAOYSA-N 293.754 3.909 30 20 CHED C[C@@H]1CN(CCc2ccc(C#N)cc2)[C@H]1c1ccccc1 1167576077 KILCLEXWENAGDR-DNVCBOLYSA-N 276.383 3.794 30 20 CHED C[C@@H]1Cc2ccccc2[C@@H]1Nc1ccc(OCC#N)cc1 1319974810 VAUOPUMFUOFPKB-FZKQIMNGSA-N 278.355 3.934 30 20 CHED CCCCCCCCNC(=O)c1cnoc1C1CC1 1319585758 IOGXRWBLPSDNJB-UHFFFAOYSA-N 264.369 3.642 30 20 CHED C=CCn1cnnc1SCc1ccc(CCC)cc1 1318078749 ULCRJFKMVZJVCH-UHFFFAOYSA-N 273.405 3.709 30 20 CHED CCCOc1ccccc1NC(=O)CC#Cc1ccccc1 1319640529 NDZDKVKOEXWSFR-UHFFFAOYSA-N 293.366 3.856 30 20 CHED Cc1c(C#N)cccc1C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 1321406412 TUONWEXFDTWVQA-BZNIZROVSA-N 294.354 3.513 30 20 CHED Cc1nc(CNc2ccccc2O[C@@H](C)C#N)c(C)s1 1320192169 OKKTUEBQIHMGSA-JTQLQIEISA-N 287.388 3.663 30 20 CHED CC[C@H](C#N)OC(=O)c1c(-n2cccc2)sc(C)c1C 1324286948 LFAMVPZUIDSJRX-GFCCVEGCSA-N 288.372 3.615 30 20 CHED CCN(Cc1c[nH]c2ccccc12)c1ncc(C#N)cc1F 1186120259 AIZNFPBDCXIVRM-UHFFFAOYSA-N 294.333 3.600 30 20 CHED N#CCCCCNc1c(F)cccc1C(F)(F)F 1334155242 MHZAXIBAYFKQOB-UHFFFAOYSA-N 260.234 3.950 30 20 CHED C#CCCOC(=O)c1ccc(-c2ccccc2)s1 1331350601 HWGCEQKLNZKOAX-UHFFFAOYSA-N 256.326 3.595 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(F)c(F)c(F)c1 1336238969 SCRQGHVGMIOOAE-LLVKDONJSA-N 283.293 3.675 30 20 CHED CC1(C)CCC[C@H](CNCc2cccc(OCC#N)c2)C1 1335413927 RZYJJHLVJGMIBT-INIZCTEOSA-N 286.419 3.895 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@]1(C)CC1(Cl)Cl 1339153169 NNGOBDDWFSTNRK-WCQYABFASA-N 290.234 3.918 30 20 CHED C=C(C)CCC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1262643893 HLMWHGOWDJRCNT-UHFFFAOYSA-N 282.387 3.621 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1cc(F)ccc1OC 1332963005 DTRRESHLGXMPJN-RYUDHWBXSA-N 279.355 3.614 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 1344046564 DXQKLLDYFFMENK-UHFFFAOYSA-N 298.386 3.746 30 20 CHED CCCC[C@H](CCC)NC(=O)c1csc(C#N)c1 1347825203 JSNDWCVKSAUTDG-LBPRGKRZSA-N 264.394 3.708 30 20 CHED C=C(C)Cn1c([C@@H](C)C(C)C)nnc1N1CCC(F)CC1 1343232065 DEGMMGDLOWTOFK-ZDUSSCGKSA-N 294.418 3.552 30 20 CHED CO[C@@H]1C[C@H](N(C)CCC2(C#N)CCCCC2)C12CCC2 1194385814 SXXZWSPODMHFBM-JKSUJKDBSA-N 290.451 3.740 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 1343600326 ZLWSNMWTCNSCCI-SFHVURJKSA-N 296.414 3.501 30 20 CHED CCCCC[C@H](C(=O)[C@@H](C#N)c1nccn1CC)C(C)C 1349714038 PCYPYAKAFGGDLS-LSDHHAIUSA-N 289.423 3.932 30 20 CHED Cc1cc(NC(=O)Cc2ccc(C#N)cc2)ccc1Cl 1437176838 DFWAHDCENYTLNY-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CC[C@H](C)CC(=O)N(c1cccc(C#N)c1)C1CCC1 1350250919 AERLJPYUVHGWLI-ZDUSSCGKSA-N 270.376 3.880 30 20 CHED CON(CC(C)(C)C)c1nc(C(C)(C)C)ccc1C#N 804814845 ADVAXRCTYFYPRE-UHFFFAOYSA-N 275.396 3.665 30 20 CHED C[C@H](Cc1cccs1)N(C)Cc1cccc(C#N)c1F 223556089 JLLRSLVDLNTYCE-GFCCVEGCSA-N 288.391 3.822 30 20 CHED CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CC1(C)C 1458448035 VTZSUKHNLRZRKZ-HTQZYQBOSA-N 269.801 3.905 30 20 CHED N#Cc1ccc(NC(=O)NC2CCCCC2)c(Cl)c1 225800315 YHGWDWGCDLODBU-UHFFFAOYSA-N 277.755 3.666 30 20 CHED Cc1cc(Cl)cc(C(=O)N2CCc3c(C#N)cccc32)c1 1529512704 IGTDZNOPOOZPFE-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CC1(C)CCC[C@H](CNc2n[nH]c(C3CC3)c2C#N)C1 1461571286 LKAXOCNCXGLLSD-NSHDSACASA-N 272.396 3.787 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2c(F)cc(C)cc2F)c1 1460866239 RHQIWMRWOQBMIX-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C=C(Cl)CNCc1cccc(OCC)c1OCCC 1461232607 QTOYOHYOMFVSTQ-UHFFFAOYSA-N 283.799 3.716 30 20 CHED N#CC1(CCCCOc2cccc(C(=O)O)c2)CCC1 1601054850 UDMURZQVGDXBFH-UHFFFAOYSA-N 273.332 3.628 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNc1nc(C)ccc1C#N 1472792678 AEFINOFBJXSFLG-UKRRQHHQSA-N 257.381 3.890 30 20 CHED CC(C)CC1(CNc2nc(C#N)c(Cl)s2)CC1 1472728579 OASRXMACCCAGFG-UHFFFAOYSA-N 269.801 3.906 30 20 CHED Cc1cc(C)cc(-n2ccnc2S[C@@H](C#N)C2CC2)c1 1613346931 VGJNKDLRHURMME-HNNXBMFYSA-N 283.400 3.883 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)o1 1543039367 VNZUPOHRIMYESD-UHFFFAOYSA-N 298.195 3.561 30 20 CHED Cc1cc(CN2C[C@H](C)CCC[C@@H]2C)ccc1C#N 1621175894 KZDSLZVBHPVILQ-HIFRSBDPSA-N 256.393 3.877 30 20 CHED COc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2C)cc1C#N 1624700295 SSIXRVKASBWDPY-QWHCGFSZSA-N 286.375 3.722 30 20 CHED C[C@@H](C[C@@H]1CCCO1)Nc1cc(Cl)ccc1C#N 122776263 DRFLWLXSZUFHTN-GWCFXTLKSA-N 264.756 3.581 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2nsc3ccccc23)c1 1584930118 JVXPDPCGCXFTOS-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCCOc1ccnc(Oc2cc(Cl)ccc2C#N)n1 1650862688 NGJTYTKABOOVRX-UHFFFAOYSA-N 289.722 3.583 30 20 CHED CCC(C)(C)c1ccc(Oc2nccc(C#N)n2)cc1 231907964 FBOUICNISHRXPX-UHFFFAOYSA-N 267.332 3.828 30 20 CHED CCCOc1ccc(CN2CCC[C@@H](C#N)C2)c(C)c1 1658884022 RBRLBTZJJXHFNY-HNNXBMFYSA-N 272.392 3.519 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)[C@@H](CC#N)c1ccccc1 1585551342 KDRQYOOQUAHTJV-HRCADAONSA-N 284.403 3.625 30 20 CHED CC(=O)[C@H](Cc1ccccc1)Sc1ccc(C#N)cc1 1656231573 FUMHXQIBPAFKBZ-KRWDZBQOSA-N 281.380 3.851 30 20 CHED N#Cc1ccc(NC(=O)Nc2ccccc2OCCF)cc1 1666946034 KXSWSGUKXTWTKD-UHFFFAOYSA-N 299.305 3.551 30 20 CHED C[C@H](C=NNc1ccc(C(=O)O)c(F)c1)c1ccccc1 1776073266 LOYWKQLXTDQZJD-LLVKDONJSA-N 286.306 3.725 30 20 CHED CC[C@H](C)[C@@H]1CCC(=NNc2ccccc2C(=O)O)C1 1776030621 XPVCCSJEPMSVDV-NWDGAFQWSA-N 274.364 3.999 30 20 CHED CC[C@@]1(C)CCCC1=NNc1ccc(C(=O)O)cc1OC 1776050726 YAEMSLACPMILDG-INIZCTEOSA-N 290.363 3.762 30 20 CHED N#CCOc1ccc2cc(Br)ccc2c1 19427717 FTILBOROJWEEPL-UHFFFAOYSA-N 262.106 3.505 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(-c2ccccc2C#N)cc1 161888406 UVQOGSTYPXHAON-HNNXBMFYSA-N 289.382 3.959 30 20 CHED N#Cc1cccc(SCC(=O)c2ccc(F)cc2F)c1 158809813 BABIJPYTUSEXMO-UHFFFAOYSA-N 289.306 3.811 30 20 CHED CCN(CC#N)C(=O)C[C@H](C)c1ccccc1C(F)(F)F 152627084 WPHLLHVJCJMIDW-NSHDSACASA-N 298.308 3.571 30 20 CHED CC(C)c1cccc(N(C)C[C@H](O)c2ccc(C#N)cc2)c1 155699611 WPJMKVZOWVEORG-IBGZPJMESA-N 294.398 3.851 30 20 CHED C=CCCN(Cc1ccccc1)C[C@H](O)c1ccsc1 154734711 BVOKSJBAHMZEOS-KRWDZBQOSA-N 287.428 3.860 30 20 CHED COc1cc(CN(C)C2CCC(C)CC2)ccc1C#N 234916824 VHACJCUHLHUDLQ-UHFFFAOYSA-N 272.392 3.577 30 20 CHED CN(Cc1cccc(F)c1)Cc1ccc(C#N)cc1Cl 162862028 HYBFDLREKBXSLY-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C[C@@H](NCCCOC1CCCC1)c1ccc(C#N)cc1 174019972 ILPZGDZFAVJBHF-CQSZACIVSA-N 272.392 3.558 30 20 CHED CC(C)(C#N)CN[C@H]1CCc2ccc(Br)cc21 310159615 LLEUIMWAUVSAOE-ZDUSSCGKSA-N 293.208 3.576 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2C2CCC2)c(Cl)c1 439436924 HGWHQLZVAOAMGK-MRXNPFEDSA-N 274.795 3.976 30 20 CHED CC1(C)CCCCN(Cc2ccc(F)c(C#N)c2)C1 446064721 WJVFUMCCJWYYNZ-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CCCCCCCNCc1ccc(C#N)c(OC)c1 705898331 YCPJUKWDLUPSLA-UHFFFAOYSA-N 260.381 3.627 30 20 CHED CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccccc1C#N 380116932 QASLCMRSTVSDSJ-CYBMUJFWSA-N 282.309 3.721 30 20 CHED CSCCCCCCN[C@@H](C)CC(C)(C)C#N 695864169 LMFFRFVSXGGUBF-ZDUSSCGKSA-N 256.459 3.828 30 20 CHED Cc1cccc(CNc2ccc(CC#N)cc2)c1F 394963746 OUNNQNMAVGSNDQ-UHFFFAOYSA-N 254.308 3.812 30 20 CHED CCC[C@@H](NCc1ccc(CC#N)cc1)C1CCC1 398976808 ZGASKTKVLLDSTO-QGZVFWFLSA-N 256.393 3.811 30 20 CHED CCc1nc(C)c(C(C)=NOCc2ccccc2)s1 735226828 BXKXYIDLAZNHDZ-UHFFFAOYSA-N 274.389 3.955 30 20 CHED Cc1cccc(NC(=S)Nc2cccc(C#N)c2)c1 6422326 JWQBBUNLBPYHDN-UHFFFAOYSA-N 267.357 3.676 30 20 CHED O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 7712526 BCNOUWRWPBPFSX-VMPITWQZSA-N 289.237 3.769 30 20 CHED C=CCOc1cccc(NC(=O)N(CC)CC(=C)C)c1 105017863 WRHSZZQRQIPEGZ-UHFFFAOYSA-N 274.364 3.681 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C/c1ccccc1 106422165 MESQJJXTPNQLQS-ZHACJKMWSA-N 270.376 3.679 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)cc2F)cc1F 105936607 AYOQQSDHOZMWHZ-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=C(C)COC(=O)C1(c2ccc(F)cc2)CCCC1 58832526 NLVIYSDQYVYRJC-UHFFFAOYSA-N 262.324 3.757 30 20 CHED CCCCCCCCCC(=O)N1CCCC[C@@H]1CC(=O)O 103357307 DCWQTRRPOVTHNC-OAHLLOKOSA-N 297.439 3.983 30 20 CHED C[C@@H](CNCC(C)(C)CCC#N)Cc1cccs1 174534217 QXSODEKBWRHMLY-CYBMUJFWSA-N 264.438 3.846 30 20 CHED Cc1cc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c(C)n1C(C)C 178783176 NGTUBDTYUBCOKA-KGLIPLIRSA-N 274.364 3.535 30 20 CHED C=CCCC(=O)Nc1ccc(-c2cnc(C)o2)cc1 171428131 LKGGKVZFKYYKGL-UHFFFAOYSA-N 256.305 3.555 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnn(C(C)C)c1 179532048 ZVRCDKISHLMIPI-UHFFFAOYSA-N 269.392 3.652 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(Cl)ccn1 119709277 BNFHWAWNVIUXPO-UHFFFAOYSA-N 286.762 3.563 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 119614245 RVZWZVHHNPSIHF-OAHLLOKOSA-N 287.403 3.911 30 20 CHED C[C@@H](Nc1ccc(Cl)cc1C#N)C(C)(C)CN(C)C 301643319 OHUAVAYMBHTFGK-LLVKDONJSA-N 279.815 3.600 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(OC)cs2)C(C)C)c1 176833008 ZKQQBAUOASMDAN-UHFFFAOYSA-N 299.395 3.793 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)Nc1cccc(C#N)c1 466540218 JGJITJIOPRTOHI-CQSZACIVSA-N 271.364 3.649 30 20 CHED Cc1nc(NC[C@]2(C)CCCS2)c(Cl)cc1C#N 310735115 GEMARKDPWIAYPM-ZDUSSCGKSA-N 281.812 3.613 30 20 CHED C[C@H]1CC[C@H](Nc2nc(Cl)c(C#N)s2)CC1 300057357 OVJCXYSKTKZHKK-ZKCHVHJHSA-N 255.774 3.659 30 20 CHED CCN(C(=O)[C@@H](C)C(C)C)[C@H](C)c1ccc(C#N)cc1 171919319 PGHMDAHXNDAPSI-UONOGXRCSA-N 272.392 3.760 30 20 CHED N#Cc1cc(Cl)ccc1NCCc1ccc(Cl)nc1 301670687 QGFXZLMLNBNEBZ-UHFFFAOYSA-N 292.169 3.915 30 20 CHED N#Cc1ccc(CN(Cc2cccc(Cl)n2)C2CC2)cc1 173582460 UJFXQRLOHCIDTO-UHFFFAOYSA-N 297.789 3.771 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(C)c(O)c1C 178773328 KDZURMHWMQSIIX-UHFFFAOYSA-N 297.354 3.826 30 20 CHED CC(C)[C@H](c1ccccc1Cl)N(C)CCC#N 113256736 WMBXTPQSFWNSRD-CQSZACIVSA-N 250.773 3.883 30 20 CHED CC(C)COc1ccc(CCNc2ccc(C#N)cn2)cc1 301179220 HDXNHGVCDOKQRV-UHFFFAOYSA-N 295.386 3.643 30 20 CHED COc1ccc(/C=C\C(=O)c2ccco2)c(OC(F)F)c1 178994175 KXEUKFCEILJGKJ-ALCCZGGFSA-N 294.253 3.786 30 20 CHED CC(C)(C)CNC1CCC(Oc2ccccc2C#N)CC1 111408882 MPFOHHHQYRYHSZ-UHFFFAOYSA-N 286.419 3.884 30 20 CHED C=CCCCC(=O)Nc1ccccc1N1CCCCC1 177460786 RHQDUCDJQIKTJV-UHFFFAOYSA-N 272.392 3.972 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccc(C#N)cc1 69172022 PZGNCKRCFARYAG-ZDUSSCGKSA-N 297.329 3.619 30 20 CHED N#Cc1cccc(C(=O)N2CCCc3cccc(Cl)c32)c1 171355481 JQVSYFBONYTGET-UHFFFAOYSA-N 296.757 3.805 30 20 CHED N#Cc1ccc(OCCN2CCC3(CCCC3)CC2)cc1 62953872 ZZDPFTBHIFBRLD-UHFFFAOYSA-N 284.403 3.593 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](c1nc(C)cs1)C1CC1 175820446 BZMTWWVNQZBZMY-ZDUSSCGKSA-N 293.436 3.510 30 20 CHED CCC(C)(C)c1ccc(C(=O)NC2(C#N)CCC2)cc1 125371526 GZCBESWLWKUKTR-UHFFFAOYSA-N 270.376 3.550 30 20 CHED Cc1c(C(=O)Nc2cc(C#N)ccc2O)oc2ccccc12 176815457 ORNJGAKHXFBYFM-UHFFFAOYSA-N 292.294 3.571 30 20 CHED COc1ccc(CSc2cccc(C#N)c2)cc1F 177114463 DEXOQSVEXXYRRX-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=CCCC(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 173495421 QUDCHHOHMQKGSN-WMZOPIPTSA-N 287.403 3.545 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc(C)c2F)c1 126799539 NCBHRPXOQCOLHQ-UHFFFAOYSA-N 285.318 3.951 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 120353367 IMSOXVPSCRKLOY-LBPRGKRZSA-N 291.366 3.758 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(F)c1 62904365 GXAPGEGBXBSXAN-UHFFFAOYSA-N 294.329 3.526 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCCOc2ccc(F)cc2)C1 185775818 YLGSSAHMMPIKBO-ZBFHGGJFSA-N 290.382 3.657 30 20 CHED CC(C)c1nccc(Oc2cc(Cl)ccc2C#N)n1 354471638 VRVQQFGDARJTBZ-UHFFFAOYSA-N 273.723 3.917 30 20 CHED COc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccc1F 126074155 ZMADDCPUKKYOLL-NSHDSACASA-N 299.301 3.624 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C(C)C)c1 187990348 QIYZNYFPEPSQEJ-KRWDZBQOSA-N 275.392 3.977 30 20 CHED CC#CCCCC(=O)Nc1c(C)noc1-c1ccccc1 186731843 MRLQNMULYVVGCT-UHFFFAOYSA-N 282.343 3.782 30 20 CHED CCCc1ccccc1NC(=O)CNc1ccc(C#N)cc1 120446611 CMPALYJDWPOVPP-UHFFFAOYSA-N 293.370 3.561 30 20 CHED C=CCC(CC=C)C(=O)Nc1cn(-c2ccccc2)nc1C 181257333 BWPIXFYRJYIZRX-UHFFFAOYSA-N 295.386 3.888 30 20 CHED C=CCC[C@@H](O)CNC1(c2ccc(Cl)cc2)CCC1 127167576 FZAXPFBVYRERJR-OAHLLOKOSA-N 279.811 3.636 30 20 CHED CC(C)C1CCN(Cc2ccc(F)cc2C#N)CC1 441434396 KAOUGALWCBZTEF-UHFFFAOYSA-N 260.356 3.565 30 20 CHED CCc1ccc(CC(=O)N(CCC#N)C(C)(C)CC)cc1 189931242 SEWZHPRFOFISQP-UHFFFAOYSA-N 286.419 3.722 30 20 CHED Cc1cc(C#N)ccc1CSCCOC(C)(C)C 186082092 AORPACIWTALNCM-UHFFFAOYSA-N 263.406 3.915 30 20 CHED Cc1cccc(Cl)c1C[S@](=O)CCCCC#N 417171279 DQRZCSQAMGQHEX-QGZVFWFLSA-N 269.797 3.591 30 20 CHED C[C@H](CCC#N)Sc1nc2cc(F)c(F)cc2[nH]1 412986381 HMYWTZNXTLYYLL-SSDOTTSWSA-N 267.304 3.625 30 20 CHED CS[C@H]1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 181768506 WIIBTFDOLNUQNR-RCBQFDQVSA-N 274.433 3.883 30 20 CHED C=CC[C@H](C(=O)N1C[C@H]2CCC[C@H]2C1)c1ccccc1 188526276 OYWOVHJDYVPNPM-BBWFWOEESA-N 269.388 3.605 30 20 CHED N#Cc1cccc(Cl)c1NCC[C@H]1C[C@H]2CC[C@H]1O2 413399403 BKFYOQXMJQHEHH-ZKYQVNSYSA-N 276.767 3.581 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(C#N)CSC 415697851 XEXACYLZNJPMHX-HOCLYGCPSA-N 296.480 3.744 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC)cc1Br 410431438 HHGKTYHTCXANCD-UHFFFAOYSA-N 298.180 3.608 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(OC)c(F)c1 182917698 LUFZLFBFQIBJSQ-NSHDSACASA-N 280.343 3.701 30 20 CHED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCCCC#N 76810351 ZVLBKAUWHKDUNS-DZGCQCFKSA-N 260.356 3.697 30 20 CHED CC[C@](C)(NCc1ccc(F)c(C#N)c1)c1nccs1 121405179 AEIZOHZHYMIIRO-HNNXBMFYSA-N 289.379 3.569 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(F)cc2OC(F)F)C1 185750999 OLSGVRLIUFYTMW-GXSJLCMTSA-N 284.281 3.921 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2sccc2C)o1 127721062 QZKUUXBFJAEIMM-QMMMGPOBSA-N 265.363 3.501 30 20 CHED N#Cc1ccc(C(=O)OCc2cccs2)cc1Cl 123983467 ZZMGITVQKJDMEY-UHFFFAOYSA-N 277.732 3.630 30 20 CHED COc1ccc(OC)c(/C=C\C(=O)c2ccc(F)cc2)c1 33410761 WNEXAQQSIRHLFE-UITAMQMPSA-N 286.302 3.739 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccn(C)c1CC 412838750 KLKOXZNFSRQGRQ-INIZCTEOSA-N 296.414 3.505 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc2c(c1)CCCC2 505214208 XQEBBDCDHWJEEE-UHFFFAOYSA-N 298.430 3.967 30 20 CHED N#Cc1cccc(Cl)c1NCC1(CCO)CCCC1 75064167 DEODSUCBGSSWPE-UHFFFAOYSA-N 278.783 3.566 30 20 CHED CCCCC[C@](C)(CC)C(=O)NCCCCC#N 186634582 VQIXNNGXZXJNJA-HNNXBMFYSA-N 252.402 3.793 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(C#N)cc2)o1 79626948 QWVMOZYBQQUUIU-IAQYHMDHSA-N 295.342 3.596 30 20 CHED N#Cc1ccc(/C=C2\Oc3cc(F)cc(F)c3C2=O)s1 184350426 YOLNJYPHWSRSJW-XGICHPGQSA-N 289.262 3.514 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)Cc1ccc(C)cc1 508486612 CHCNEOFORNEIRV-UHFFFAOYSA-N 284.407 3.532 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 411008435 SMOFIFAHHOZERN-SNVBAGLBSA-N 276.405 3.729 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(F)c1)c1c(C)noc1C 192179653 BDGDSRQPOTZEAO-OAHLLOKOSA-N 287.338 3.543 30 20 CHED O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccsc1 191883149 FLPYVQRFOVKTMJ-UHFFFAOYSA-N 295.285 3.757 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 135669972 YSFXHSQNUIQMDC-SNVBAGLBSA-N 260.337 3.610 30 20 CHED N#Cc1ccc(C(=O)NC2(C(F)(F)F)CCCCC2)cc1 509852699 UBRYULNWJUIZMG-UHFFFAOYSA-N 296.292 3.553 30 20 CHED Cc1cc(C#N)ccc1Oc1ncc(C#N)cc1Cl 524435527 DVNCFIUSFMMEQF-UHFFFAOYSA-N 269.691 3.579 30 20 CHED Cc1nnc([C@@H](C)S[C@H](C)c2cccc(C#N)c2)o1 190907412 VJBNJKDGQIXKKJ-NXEZZACHSA-N 273.361 3.805 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1cc(F)ccc1OC 424601028 KLMXRUDKDNUCTF-NSHDSACASA-N 279.355 3.614 30 20 CHED CCCc1ccc(C(=O)COc2ccc(C#N)cc2)cc1 48102723 RTTLCJXOLGQHHG-UHFFFAOYSA-N 279.339 3.772 30 20 CHED C[C@H](Nc1ncccc1C#N)[C@H](C)c1ccccc1 80688115 MFTKJCXVHBYOPL-STQMWFEESA-N 251.333 3.557 30 20 CHED Cc1nc(CN(C)CC#Cc2ccc(Cl)cc2)cs1 426367024 SCHZGZPWMAGJRR-UHFFFAOYSA-N 290.819 3.588 30 20 CHED Cc1cccc(-c2cncc(C(=O)O[C@H](C#N)C(C)C)c2)c1 132165905 GWBYGZFFFJTHFE-QGZVFWFLSA-N 294.354 3.762 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)C2(C#N)CCCC2)c1 48866290 LIVHVYQGAGVWOS-CYBMUJFWSA-N 286.375 3.886 30 20 CHED C[C@@H](CCc1ccccc1)CN(C)CC(C)(C)C#N 518805986 HUHGOYJTWYDSGQ-HNNXBMFYSA-N 258.409 3.737 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CCC[C@@H]1C#N)CC3 329612770 DRVBOBLNKKEPLJ-CPUCHLNUSA-N 293.414 3.616 30 20 CHED C=CCN(C(=O)c1cc(C)n([C@@H](C)CC)n1)c1ccccc1 517254210 PYGRKKKAAFWNCU-AWEZNQCLSA-N 297.402 3.995 30 20 CHED N#C[C@H](C(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1ccccn1 228868835 FOXVWSRWLBVZCD-SDDRHHMPSA-N 296.292 3.627 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1csc(Cl)c1 424324475 KBBHXZKOUDBSKI-WCABBAIRSA-N 254.786 3.744 30 20 CHED CCN(Cc1ccsc1C(F)(F)F)C[C@@H](C)C#N 529524462 BCRKZYSTZIWZIJ-VIFPVBQESA-N 276.327 3.748 30 20 CHED C=CCCC(=O)Nc1cc(Cl)cc(Cl)c1O 220320315 FWKSVBSGSBWLGS-UHFFFAOYSA-N 260.120 3.604 30 20 CHED CCCCCCCCCN(C)C(=O)c1cccnc1 194665857 ISBIFQOWYZQHEZ-UHFFFAOYSA-N 262.397 3.904 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(F)cc1F 50428999 URQPCOVERSOAQQ-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCCOC(F)F 338023271 RJHJZEPQVZDDLR-OAHLLOKOSA-N 294.345 3.545 30 20 CHED Cn1cc(CN2CC[C@@H](c3ccccc3)C2(C)C)cc1C#N 421399678 QPFOPUDISZRQSU-SFHVURJKSA-N 293.414 3.665 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)cc1Cl)c1cccnc1 335977374 JGFLRCLABFCJBR-UHFFFAOYSA-N 299.761 3.523 30 20 CHED C[C@@H]1C[C@@H](C/N=C(/O)NC(C)(C)CC(C)(C)C)CCO1 330624820 GSKULXMEDYXKPY-OLZOCXBDSA-N 284.444 3.520 30 20 CHED C=CCN(CCC#N)[C@H](C)CCSc1ccccc1 428838332 YENJMQSATUETAV-OAHLLOKOSA-N 274.433 3.959 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2F)s1 336095328 MPXNRNBLURQZNQ-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)Cc1ccccc1C 193388415 FVHRFOAGQDUCKE-HNNXBMFYSA-N 274.408 3.534 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccc2c(c1)CCCN2 423443466 KQCRSRPCUCFVPS-KGLIPLIRSA-N 258.409 3.735 30 20 CHED N#CCc1ccc(C(=O)Nc2ccsc2Cl)cc1 335836912 OLNYGHUAEFFGEU-UHFFFAOYSA-N 276.748 3.720 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2cc(C#N)cs2)n1 93453595 MEFSYMUQTCYGOY-INIZCTEOSA-N 283.400 3.660 30 20 CHED Cc1cc(CN2CCC[C@@H]2c2cccnc2)ccc1C#N 335959025 DLZMNOOKLQNKBZ-GOSISDBHSA-N 277.371 3.599 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(C2CC(F)(F)C2)no1 334891570 PTLXGUJESXVNJM-SECBINFHSA-N 289.285 3.606 30 20 CHED Cc1sccc1CN1CCO[C@H](c2cccc(C#N)c2)C1 335938462 KERHTWZHUVMBSV-KRWDZBQOSA-N 298.411 3.502 30 20 CHED Cc1ccc(-n2cnnc2S[C@@H]2CC[C@H](C#N)C2)c(C)c1 336254948 HXYMCVJXUZMTIG-UONOGXRCSA-N 298.415 3.669 30 20 CHED C=CCC[C@H](NC[C@H](C)Oc1ccc(OC)cc1)C1CC1 438989866 GEEGBKARZHDXME-KSSFIOAISA-N 289.419 3.797 30 20 CHED C[C@H](CC#N)N(C)Cc1cnc(C2CCCC2)s1 93090575 PRMIOOZYVGXYQA-LLVKDONJSA-N 263.410 3.535 30 20 CHED Cc1ccc(F)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1 334987302 LEDPUHSPHOJJAO-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1ccsc1Cl 334549942 AGFBWPVAJKHNIN-ONGXEEELSA-N 285.796 3.711 30 20 CHED C=CCC[C@@H](O)CN1CCCC[C@H]1c1ccc(F)cc1F 432028745 YMLGYSKHDFTPOC-PBHICJAKSA-N 295.373 3.819 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@@](C)(C#N)CCc2ccccc2)C1 247326678 IKMYLJTZSCJWML-HHXXYDBFSA-N 298.430 3.844 30 20 CHED Cc1ccnc(N[C@@H]2CCCOc3ccc(F)cc32)c1C#N 343524077 YJJOWPIWOJJMDI-OAHLLOKOSA-N 297.333 3.727 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 248004170 OWOMTUQPEMJZOY-OFQRWUPVSA-N 255.361 3.642 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 521827999 JCROFPMWVDYFEI-MBNYWOFBSA-N 286.375 3.578 30 20 CHED C=CCC[C@H](NC(=O)c1ncccc1C)c1ccccc1 435278639 GQHSRDCYPZMXMH-INIZCTEOSA-N 280.371 3.827 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)[C@H](C#N)CCc1ccccc1 433217357 AEPVQQODDDXGJL-HOCLYGCPSA-N 296.370 3.572 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 248413975 GNGLOUMARVEFJC-KBRIMQKVSA-N 254.377 3.569 30 20 CHED N#CCc1ccc(C(=O)Nc2cccc3ncccc23)cc1 340066731 TZUPMPIHCHNWJM-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=CCCC[C@H](C)Nc1ncc(C(=O)N(C)C)cc1Cl 342775058 AMNNECLBMOJKBQ-NSHDSACASA-N 295.814 3.594 30 20 CHED Cc1cccc([C@H](C)C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 434034255 CDMZSKQQFKQOJM-HOCLYGCPSA-N 284.403 3.639 30 20 CHED COc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccc(C#N)cc1 601265403 PQTREWFECZXWNE-ORAYPTAESA-N 292.382 3.905 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2ccccc2c(OCCC)n1 523961011 VDWDNAHNOSEERX-ZDUSSCGKSA-N 298.386 3.718 30 20 CHED C=CCCCC(=O)N[C@@H]1CC(C)(C)c2ccccc21 432343714 ZNCAARKUGGXZHM-OAHLLOKOSA-N 257.377 3.882 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)c1ccc(C#N)s1 342417579 FTPBWTMDEWWHGG-UHFFFAOYSA-N 290.775 3.512 30 20 CHED Cc1ccnc(NC[C@H]2SCCc3ccccc32)c1C#N 343469162 BLJNOKWZRPJGCC-MRXNPFEDSA-N 295.411 3.704 30 20 CHED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N[C@@H](C)CC#N 603168485 WWSQERTXWPXVCU-JTQLQIEISA-N 299.296 3.746 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N(CC#N)c1ccccc1 602252240 PRSWZBYZGPTXFG-MRXNPFEDSA-N 292.382 3.730 30 20 CHED C=CCCCCNC(=O)c1ccc2nc(C)sc2c1 346554928 WYHCANNKQMQVPC-UHFFFAOYSA-N 274.389 3.691 30 20 CHED CCN(Cc1cccc(C#N)n1)[C@@H](C)c1ccc(F)cc1 602451275 FJWZRZFFKJHVRP-ZDUSSCGKSA-N 283.350 3.675 30 20 CHED Cc1ccc2nc([C@@H]3CCCN3CC3(CC#N)CC3)[nH]c2c1 602828548 OAXJVUHLPCUXPW-INIZCTEOSA-N 294.402 3.702 30 20 CHED C=CCCCCSCc1noc(C2CCC2)n1 600632002 UBYCUWULSLNADH-UHFFFAOYSA-N 252.383 3.927 30 20 CHED C=CCN(C(=O)c1ccncc1Oc1ccccc1)C1CC1 441278691 AJZILKLEMMIDQW-UHFFFAOYSA-N 294.354 3.665 30 20 CHED C=C[C@H](C)N[C@H](CC)c1cc(Cl)ccc1OC 358304176 RDXBOYUAJBWZCY-GXFFZTMASA-N 253.773 3.964 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2ccnn2CC)cc1 255912726 AEEIPXYFPLUONM-YFHOEESVSA-N 284.359 3.588 30 20 CHED CS[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 353278866 SOZVNQPZQRLRRD-BFYDXBDKSA-N 286.444 3.809 30 20 CHED CN(C)c1cc(Cl)cc(Cl)c1CN(CC#N)C1CC1 356054895 BUAYFZYUEGUSHG-UHFFFAOYSA-N 298.217 3.547 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(Br)c1 448557875 LGOZYLWFDGIYIH-UHFFFAOYSA-N 268.154 3.600 30 20 CHED CCc1nc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cs1 353429988 VLAAKQCRGVEKPF-NHYWBVRUSA-N 297.427 3.915 30 20 CHED C=C(CC)CS[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 358635065 HTSUGWDUSFRUFW-CYBMUJFWSA-N 291.416 3.916 30 20 CHED C[C@H](C#N)CN(C)C(=O)C1CCC(c2ccccc2)CC1 266236684 DHASYUHBOIYHSR-ODIFPOPNSA-N 284.403 3.578 30 20 CHED N#Cc1cccnc1SCc1c(F)cccc1F 355430770 KSKMSEZYZRVQJD-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(F)c1 353568658 BENGBJQYPOELSJ-UHFFFAOYSA-N 297.333 3.751 30 20 CHED C=C(C)COCCN[C@@H]1CCCOc2c(C)cc(C)cc21 358292435 VUERMBIXRFBESY-QGZVFWFLSA-N 289.419 3.699 30 20 CHED C[C@H](C1CCC1)N(C)Cc1ccc(C#N)cc1OC(F)F 357025662 BJUUGRYNPZURJS-LLVKDONJSA-N 294.345 3.780 30 20 CHED Cc1ccc(-c2nc(Cn3cc(C)c(C#N)c3)cs2)o1 532907216 ZODCREFONZPJSX-UHFFFAOYSA-N 283.356 3.741 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1ccccc1CC#N 601200720 GCCBWTPNSXPHKN-CYBMUJFWSA-N 272.392 3.697 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCC[C@H](C2CC2)C1 602691087 BVWPFLGAZGXPMK-HYVNUMGLSA-N 290.451 3.644 30 20 CHED C=CCN(C(=O)c1oc2ccc(OC)cc2c1C)C1CC1 536823362 WJIMBVVBGFODCF-UHFFFAOYSA-N 285.343 3.540 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc(C)c2O)CCCC1(C)C 443866710 IBTJGBATKIWOBC-OAHLLOKOSA-N 287.403 3.908 30 20 CHED CC(C)CN1CCCC[C@@H]1CNC1CCC(C)(C#N)CC1 449207239 PSQBRHIHZQNTDS-LXPRWKDFSA-N 291.483 3.559 30 20 CHED COc1cccc(-c2nc(CON=C3CCC3)cs2)c1 265470669 PIFGURCDISETDK-UHFFFAOYSA-N 288.372 3.875 30 20 CHED CC[C@](C)(C#N)NC(=O)CCCc1ccc2ccccc2c1 539395360 OAKNIQOSSPJIBL-LJQANCHMSA-N 294.398 3.971 30 20 CHED C=C(C)COc1cc(CN2C[C@@H](C)[C@@H](C)C2)ccc1OC 539825049 KPMDJZIFLBLIDM-GASCZTMLSA-N 289.419 3.738 30 20 CHED Cc1coc2ccc(NC(=O)c3ccc(C#N)s3)cc12 358744333 NVTQZFJZZROSKN-UHFFFAOYSA-N 282.324 3.927 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCCOc2ccccc2)n1 613409033 FRNHJKBPRPAUNY-UHFFFAOYSA-N 295.386 3.742 30 20 CHED CCS[C@@H](C)c1noc(C2(c3cccc(C#N)c3)CC2)n1 357330801 OQNHIBCORASVTK-NSHDSACASA-N 299.399 3.835 30 20 CHED CCC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 610936292 UNSPMWLLYNYEPN-GFCCVEGCSA-N 289.379 3.656 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCC1CC(F)(F)C1)CC2 453416080 JUMAJQGWSCQMLA-OAHLLOKOSA-N 276.330 3.571 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 617777784 WTPZKLXTVIVCLP-BPQIPLTHSA-N 283.415 3.913 30 20 CHED C=C(C)CCNC(=O)C1(c2ccc(OC)cc2)CCCC1 456115663 CLFDADXHYSZYSQ-UHFFFAOYSA-N 287.403 3.589 30 20 CHED CCCOc1ccccc1NC(=O)NCC(C)(C)CC#N 459262028 SZWKBEFRALPBGV-UHFFFAOYSA-N 289.379 3.537 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)c2nccs2)CCCCC1 450592119 YZFQJFMHWKORPG-CYBMUJFWSA-N 292.448 3.889 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CNc2c(C)cccc2C)C1 617782976 QHBLCGZZCGVOIW-MRXNPFEDSA-N 286.419 3.530 30 20 CHED Cc1ccc(Cl)c(NC(=O)N2CCC[C@](C)(C#N)C2)c1 612314898 HUCLFHGIARJWMD-OAHLLOKOSA-N 291.782 3.806 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C(C)C)C1CC(C)(C)C1 457080512 WDICXNWWIUYLKJ-UHFFFAOYSA-N 284.403 3.906 30 20 CHED C=C(C)CCNC(=O)Nc1cc(C)c(OC)cc1Cl 455441962 NJINFHZVDACFGQ-UHFFFAOYSA-N 282.771 3.745 30 20 CHED C=CC[C@H]1N(Cc2nccn2C(F)F)CCCC1(C)C 277688855 GWYFKNGBFSROOC-GFCCVEGCSA-N 283.366 3.845 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1nccc2ccc(C)cc12)OCC 616818109 XJLWJPNYWHKUFL-MRXNPFEDSA-N 298.386 3.853 30 20 CHED N#CC1(CN2CCC[C@H]2c2ccc(F)cc2F)CCC1 451972433 OKLZIWGMIJDNHP-HNNXBMFYSA-N 276.330 3.796 30 20 CHED CC(C)(C#N)CCCCSCCCNc1ncccn1 277553347 JNOLTPSLVBKALD-UHFFFAOYSA-N 292.452 3.732 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1ccc(F)cc1C#N 459698713 REJRCBFVLZIORM-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED C=CCCO[C@@H](C)c1nc([C@@H](C)c2cccs2)no1 273796785 GCOLLBUMVPECJC-QWRGUYRKSA-N 278.377 3.937 30 20 CHED C=CCCCCNC(=O)c1scc(C)c1Cl 276872004 BCXSJHKZUCJYDY-UHFFFAOYSA-N 257.786 3.796 30 20 CHED C=C(C)[C@@H](CC(=O)NC1(CC)CCCCC1)OCC 456240847 XNZWKSNETKOCGN-CQSZACIVSA-N 267.413 3.587 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc(OC(C)(C)C)cc2)no1 453099031 QETMVOZKAIDVAR-PIGZYNQJSA-N 297.358 3.715 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(C)c1Cl)OCC 270174539 LRXUCWROLPIPOV-ZDUSSCGKSA-N 281.783 3.958 30 20 CHED C=CCCC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 369409365 PZCHQOPEAZSMHX-UHFFFAOYSA-N 297.320 3.673 30 20 CHED Cc1ccc2c(C3=CCN(CCCC#N)CC3)c[nH]c2c1 363013345 JNHIIQLRWRJTHL-UHFFFAOYSA-N 279.387 3.869 30 20 CHED C=C(CNC(=O)[C@@H](CCC)c1ccccn1)c1ccccc1 360209512 QKUQUBNPBFQUSC-KRWDZBQOSA-N 294.398 3.795 30 20 CHED CCOc1ccc(Cl)c(NC(=O)N(C)[C@H](C)CC#N)c1 455763520 CVGFTBYDHJSKIY-SNVBAGLBSA-N 295.770 3.505 30 20 CHED C=CCCCC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273272907 JTDAFDOXPVUOKG-HZPDHXFCSA-N 291.366 3.518 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1cccc(C)c1 620859027 VIQPSTDEPDOBPY-AWEZNQCLSA-N 259.393 3.960 30 20 CHED C=CCCN(C)C(=O)c1csc(-c2ccc(F)cc2)n1 466648441 NUZMMYBVPQKIHL-UHFFFAOYSA-N 290.363 3.597 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1c(Cl)cccc1C#N 462816183 ZXXRRGPQFSHQEB-CMPLNLGQSA-N 264.756 3.581 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccccc1 275237364 VZCPXBMPTRODHF-CQSZACIVSA-N 281.359 3.586 30 20 CHED N#Cc1ccc(/C=C/C=C\c2ccc(F)cc2F)nc1 542733512 YHVJBQLNBCFBEL-HSFFGMMNSA-N 268.266 3.958 30 20 CHED C=CCCOCC(=O)N(CCC)[C@H](CC)c1ccccc1 620328189 MAFMISYGZFFGQO-QGZVFWFLSA-N 289.419 3.969 30 20 CHED C=CC[C@H](C)NC(=O)Cc1c(CC)oc2ccccc12 625698514 LCPGBGKAEDLRSS-LBPRGKRZSA-N 271.360 3.619 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1cc(C)cc(C)c1 468016342 KAFKBNOZBBYLOW-KRWDZBQOSA-N 259.393 3.564 30 20 CHED N#CCC1CCN(CCCc2ccccc2Cl)CC1 543184787 POGWWSPCFUPIFH-UHFFFAOYSA-N 276.811 3.898 30 20 CHED C=CC[C@@H](CC)N[C@H](C)CCc1ccccc1[N+](=O)[O-] 467416806 HQPPXQBLTSMCBD-UKRRQHHQSA-N 276.380 3.860 30 20 CHED CC(C)(C)[C@H](NCc1cccc(C#N)c1)C(F)(F)F 542775771 YQFSQVWQRPOKGQ-LBPRGKRZSA-N 270.298 3.625 30 20 CHED Cc1cc2cc(CN[C@H]3CCC[C@@H](C#N)C3)ccc2[nH]1 285544548 DMFCSCKJAVVYAW-CJNGLKHVSA-N 267.376 3.648 30 20 CHED C=CCCCN1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 463190510 DNCUOGSOTXYCFR-NXOAAHMSSA-N 265.441 3.604 30 20 CHED C=CCCC(=O)N1CCc2ccccc2[C@@]1(C)C(F)(F)F 281546692 OFLINYTYBYLWBG-HNNXBMFYSA-N 297.320 3.815 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]1CC 465368003 VMKCTCFLRDRAIM-SJORKVTESA-N 286.419 3.963 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](CC)CC1 460809349 MWQZLVIRFWOQMQ-AWEZNQCLSA-N 288.439 3.748 30 20 CHED CC(C)(C#N)Cc1nc(C2(c3ccccc3)CCC2)no1 289677253 LEIUOFJBCOCUJA-UHFFFAOYSA-N 281.359 3.632 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1cccc(C(F)(F)F)c1 281102256 AMZXCALENONYJX-RISCZKNCSA-N 284.325 3.918 30 20 CHED CC(C)(C)CCCCC(=O)N[C@H](C#N)C(C)(C)C 553059397 IYNWJVDVVDMANM-GFCCVEGCSA-N 252.402 3.647 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(F)c(C#N)c1)[C@H](C)CC 284234074 OPCNVRHEAAPYKO-TXEJJXNPSA-N 276.355 3.737 30 20 CHED C[C@@H](C(=O)N1CCC[C@@H]1C(C)(C)C)c1cccc(C#N)c1 463946630 QUVXGOQBNAZZRI-CZUORRHYSA-N 284.403 3.699 30 20 CHED N#CCC1(CNC(=O)Nc2cccc(C3CCC3)c2)CC1 555263215 JPCWLDWGFYKTQH-UHFFFAOYSA-N 283.375 3.769 30 20 CHED C=CCCCCCN(C)C(=O)c1nnc(-c2ccccc2)o1 631358568 VFLQHHFDPDQXGE-UHFFFAOYSA-N 299.374 3.555 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1nc(Cl)c(C#N)s1 288211561 DFJWJOANSMNRLU-UTLUCORTSA-N 281.812 3.826 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2ccccc2)CCC1 466531063 SQZFAQGHYTYBQI-OAHLLOKOSA-N 257.377 3.579 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)CC(C)(C)C1 468699468 ILXFDEGFVQKIGO-UHFFFAOYSA-N 262.422 3.878 30 20 CHED C=CCN(C(=O)[C@@H]1CC=CC[C@H]1C)c1ccccc1 551172576 IHVNUDYQWFZZBA-GDBMZVCRSA-N 255.361 3.808 30 20 CHED N#Cc1ccc(Cl)c(C(=O)O[C@@H]2COc3ccccc32)c1 808609564 COTZIRAONOHKNJ-OAHLLOKOSA-N 299.713 3.502 30 20 CHED Cc1ccc([C@@H](C)NC(=O)CCCCCC#N)s1 805168776 NNHGLFPKJAZAJC-GFCCVEGCSA-N 264.394 3.708 30 20 CHED CC1(C)CN(C(=O)CCCC#N)c2ccccc2S1 291281258 GBEWNAZLCLIUFN-UHFFFAOYSA-N 274.389 3.598 30 20 CHED COc1ccc(/C=C/C(=O)c2occc2C)c(C)c1OC 806573256 GTOMWTIKLBTSFO-FNORWQNLSA-N 286.327 3.810 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCc2c(O)cccc21 293748909 KBOMSJWMOTUCBF-OAHLLOKOSA-N 287.403 3.531 30 20 CHED N#Cc1cccc(CNc2ccc([C@@H]3CCOC3)cc2)c1 292985851 LQZODRMDWJELMV-QGZVFWFLSA-N 278.355 3.674 30 20 CHED Cc1cccc(NN=Cc2c[nH]c(C(F)(F)F)c2)c1 807943165 BQGPEVQYORKOAF-UHFFFAOYSA-N 267.254 3.788 30 20 CHED C=CCCCCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 471587054 GFPODHMPBDIPJZ-MRXNPFEDSA-N 288.391 3.862 30 20 CHED C=CCC(CC=C)C(=O)N1CC2(CCC2)[C@H]1C1CC1 291091989 KVXIXRHBKAXLCJ-OAHLLOKOSA-N 259.393 3.546 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OCCC)cc1 473781030 LWNIFQDHDNZAIB-UHFFFAOYSA-N 276.380 3.953 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1conc1CC 296678388 SAOSIBNTBYLITG-UHFFFAOYSA-N 293.411 3.515 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)c1cc(Cl)cc(Cl)c1 290164154 QIAIIQYZGVJENO-ZDUSSCGKSA-N 285.174 3.896 30 20 CHED C=CCCCCCCCNC(=O)N[C@@H](C)C(F)(F)F 809922334 SXTPXUHXFODYIQ-NSHDSACASA-N 280.334 3.763 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 562594366 BWBICHPJVXGYOL-RDJZCZTQSA-N 295.386 3.519 30 20 CHED CC1(C)CN(c2nc(Cl)c(C#N)s2)CC(C)(C)C1 804618985 ANGKXDWLYGCKOO-UHFFFAOYSA-N 283.828 3.931 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1CCC 488403890 YMVXMKFTXNBZCG-UHFFFAOYSA-N 268.360 3.879 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cnc(C2CC2)o1 640242671 GIOUQMHDCUKBOT-UHFFFAOYSA-N 296.370 3.771 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)OC1CCCCCC1 488813915 JBCWIXAYWNYMRQ-CABCVRRESA-N 279.424 3.681 30 20 CHED Cc1ccnc(NN=C2CC[C@H]3CNc4cccc2c43)c1 814868021 SZNFOBPYGIGMIS-LBPRGKRZSA-N 278.359 3.509 30 20 CHED CC(C)CC[C@H]1CCCC1=NNC[C@@H]1CCSC1 811659814 ZHSHYTOIQZIORF-UONOGXRCSA-N 268.470 3.921 30 20 CHED CCC(=NNc1c(C)cccc1F)c1ccc(F)cn1 814905329 SVYAKEAPZXHSJU-UHFFFAOYSA-N 275.302 3.894 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1cc(C)cc(C)c1 814753429 NFDNVDQPBQFAGL-UHFFFAOYSA-N 274.364 3.736 30 20 CHED O=C(O)c1ccc(NN=C2CCCC23CCCC3)cc1 814681090 WSGKQJHYWBFEIX-UHFFFAOYSA-N 272.348 3.897 30 20 CHED C=C[C@H]1CCCCN1c1nc2ccccc2cc1[N+](=O)[O-] 486486289 IUPPVEXTYJZFMA-ZDUSSCGKSA-N 283.331 3.688 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc2cc[nH]c12 579079183 BWXBOFUVAQHWEJ-UHFFFAOYSA-N 271.364 3.892 30 20 CHED CCON=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 818271895 GTDOMDJHANBJOF-UHFFFAOYSA-N 276.317 3.694 30 20 CHED C#CC[C@@H](N[C@H](C)c1ccc(OC)c(O)c1)c1ccccc1 810228910 NQWLXUQZIFAVEN-RHSMWYFYSA-N 295.382 3.816 30 20 CHED N#Cc1ccc(OCC[C@@H]2CC2(Cl)Cl)cc1F 818080020 YZVJIBMFVOJJOY-SECBINFHSA-N 274.122 3.660 30 20 CHED C#CCC(C)(C)c1nc(C2(c3ccc(F)cc3)CC2)no1 818428150 MHGBVKBVITZSAH-UHFFFAOYSA-N 284.334 3.590 30 20 CHED N#CCCCOC(=O)CCCc1ccccc1Cl 810651695 PYQRJVMXCPOJGS-UHFFFAOYSA-N 265.740 3.510 30 20 CHED Cc1ccc([C@@]2(C)CCN(c3ccc(C#N)c(C)n3)C2)cc1 487763158 SZAVQSUZSWIJCY-IBGZPJMESA-N 291.398 3.738 30 20 CHED CCC(CC)(OC)c1noc(-c2ccc(C)c(C#N)c2)n1 810338825 MICATEBRDMXVLB-UHFFFAOYSA-N 285.347 3.578 30 20 CHED CC(C)[C@H]1CC(=NNc2cccc(F)c2)CS1 814815035 KLJXNLNRMYTGSC-CYBMUJFWSA-N 252.358 3.755 30 20 CHED CC(=NOC/C=C\Cl)c1nc2c(s1)CCCC2 811669796 JHRBOEZFLFKMMT-OPXLJTMYSA-N 270.785 3.515 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc2cc(C)ccc2n1CC 815957567 IONQCTQOIDDLHA-UHFFFAOYSA-N 293.317 3.515 30 20 CHED CC#CCCCC(=O)Nc1cnn(CCCC)c1C(C)C 482728365 MYPTWJWRGILCNB-UHFFFAOYSA-N 289.423 3.939 30 20 CHED C=CCn1cccc1C(=O)N1CC=C(c2ccccc2C)C1 488823283 WDPLUIAXWQSHEC-UHFFFAOYSA-N 292.382 3.522 30 20 CHED CC1(C)CCCN(C/C=C\c2ccc(F)cc2F)[C@@H]1C#N 572569260 CITULKOVTUTBBT-OICCZTGUSA-N 290.357 3.992 30 20 CHED COc1cccc2cc(CN3CCC[C@H](CC#N)C3)oc12 826862208 WYFVSUPKRYJQLT-CYBMUJFWSA-N 284.359 3.567 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(N(C)C)c(F)c2)c1 727653605 SISQRRVNKXTIQE-NTMALXAHSA-N 299.345 3.796 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC1CCC(C)(C#N)CC1 824135701 RSTQIYZEBKQRQC-CBCUQQMYSA-N 283.375 3.862 30 20 CHED C=CCC(C)(C)C(=O)OCC[C@H]1CC1(Cl)Cl 820686710 PLXRXKAFTSPPHM-VIFPVBQESA-N 265.180 3.716 30 20 CHED C=C(C)CN(CC)C(=O)CCc1cc2ccccc2o1 497487336 ACQFLJXYHPJVCZ-UHFFFAOYSA-N 271.360 3.790 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C(C)C 497831827 MLBYYFOTLKHWSL-HNNXBMFYSA-N 286.419 3.835 30 20 CHED C#Cc1cccc(N(CC)C(=O)C=C2CCCC2)c1 728480268 IZMMMHJWUVFATC-UHFFFAOYSA-N 253.345 3.521 30 20 CHED C=CCOCCN(Cc1ccsc1)C(C)(C)C 661133938 PHACKTNVGUISMY-UHFFFAOYSA-N 253.411 3.551 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@H](C)c1nc(C)cs1 664646254 HCZVULVOAPYQSI-NSHDSACASA-N 295.452 3.599 30 20 CHED CC1=CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 497749030 PUZANINBHYDVNR-UHFFFAOYSA-N 266.266 3.733 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)CCC(C)(C)C 495202208 NOJZGRKTIQLPPM-UONOGXRCSA-N 266.429 3.951 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C\c1ccccc1O 727781523 PDSSSDKHPPGGIV-CQUHBBLWSA-N 253.345 3.832 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(O)c(Cl)c1 588480354 RVMLBCQOQGLAQD-VURMDHGXSA-N 288.730 3.950 30 20 CHED COC1(CC(=O)N(O)Cc2cccc3ccccc23)CCC1 901371162 NUMPXEBAPQHKNK-UHFFFAOYSA-N 299.370 3.517 30 20 CHED C=CC[C@@H](NC(=O)NCCCCCC)c1ccncc1 734652785 RVSXHNLEHPMQEC-OAHLLOKOSA-N 275.396 3.578 30 20 CHED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1ccccc1 737442279 BEHUPRRMHCYWKQ-BQYQJAHWSA-N 282.730 3.884 30 20 CHED Cc1cc(NN=Cc2ccc(-c3ccc(F)cc3)o2)ncn1 731936002 XFLVCYBULXZBAC-UHFFFAOYSA-N 296.305 3.630 30 20 CHED CCN(CCC#N)C(=O)[C@H](CC1CCCCC1)C(C)C 490123602 ZNMYDQKAVDOLLE-MRXNPFEDSA-N 278.440 3.991 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccc(F)cc1Cl 583368976 JPJODJRXDYGVKS-UHFFFAOYSA-N 290.787 3.750 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C\C1CCCC1 493645180 OPGOQECAMWDSAI-OEYXZAGESA-N 284.359 3.662 30 20 CHED CCc1ccc2ccccc2c1CNC(=O)C1(C#N)CCC1 831128925 XLQDGAUDOVHLRB-UHFFFAOYSA-N 292.382 3.712 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccc(C)s1 833387031 LGNCORCRBIVNMP-UHFFFAOYSA-N 274.345 3.591 30 20 CHED CC[C@@H](CC(=O)OCc1ccc(OCC#N)cc1)C(C)C 733488330 WLJPKZRITZCZHX-HNNXBMFYSA-N 289.375 3.704 30 20 CHED CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CCCCCC#N 588705221 MHVAIRVSGAIFGX-LLVKDONJSA-N 290.329 3.650 30 20 CHED Fc1ccc(C=NNc2cccnn2)cc1-c1cccs1 735974980 PPYOHQIIINMZIU-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C#CCOc1cccc(NC(=O)NC2CCCCCC2)c1 731112457 JAIJNCMLENURRQ-UHFFFAOYSA-N 286.375 3.543 30 20 CHED Cc1ccc(SCCNC(=O)CCCCCC#N)cc1 588148307 FVWNFZPJYRVNDC-UHFFFAOYSA-N 290.432 3.677 30 20 CHED Fc1ccc(-c2ccc(C=NNc3cccnn3)s2)cc1 735974965 PKFARQGWSRIMIY-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Cc1ccc(F)c(C=NN=c2cc[nH]c3ccccc23)c1 734979424 PDUAGPMLENDEIX-UHFFFAOYSA-N 279.318 3.550 30 20 CHED CCCCCCCCCN(C)Cc1nonc1C 734146064 HCBSOEBSIZBGAD-UHFFFAOYSA-N 253.390 3.560 30 20 CHED C#CCC1(C(=O)N[C@@H](C2CCC2)C2CC2)CCCCC1 837248473 DUTYGPCIEJESHK-INIZCTEOSA-N 273.420 3.655 30 20 CHED C=C1CCN(C(=O)/C=C(\C)c2ccccc2Cl)CC1 731052429 PQYDBTDPKJDYEY-ACCUITESSA-N 275.779 3.922 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)OCCCO2 675149123 FCVAKTXUJMJGSA-UHFFFAOYSA-N 287.359 3.555 30 20 CHED C#CCOc1ccc(NC(=O)NC[C@@H](C)C(C)(C)C)cc1 734651039 XEPCPDJSCNZEOY-CYBMUJFWSA-N 288.391 3.502 30 20 CHED CCCCCCCC(=O)OC1CCN(C(=O)OCC)CC1 915172653 VYJUAGANJPGIGK-UHFFFAOYSA-N 299.411 3.511 30 20 CHED CCc1ccccc1NN=Cc1cccc(OCCOC)c1 917548024 JDXPYEJUOSKNON-UHFFFAOYSA-N 298.386 3.720 30 20 CHED CC(C)(C)C#CC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 837458060 CCUXWRDZFQPTAI-NEPJUHHUSA-N 289.341 3.521 30 20 CHED CC(=NNCc1ccccc1Cl)c1csc(C)n1 918152532 GXQCMHLCARPZCS-UHFFFAOYSA-N 279.796 3.619 30 20 CHED N#CC1(CC(=O)N2CCC[C@H]2c2ccc[nH]2)CCCCC1 596787359 DDZAMVREKXLMTB-HNNXBMFYSA-N 285.391 3.542 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc2c(c1)OCCO2 916250827 YTXJDHNRQCIXRT-UHFFFAOYSA-N 282.343 3.602 30 20 CHED C=CCCC[C@H](N)C(=O)Nc1c(C)cccc1C(C)C 911937856 YVOSCQCUHVGMDE-HNNXBMFYSA-N 274.408 3.741 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CC1(C#N)CCCCC1 597160303 DHDUBXMVNBUVLR-UHFFFAOYSA-N 289.423 3.639 30 20 CHED CC(C)COc1ccc(OCC2(CC#N)CC2)cc1 596274292 QOTUJRQGHKTSQD-UHFFFAOYSA-N 259.349 3.794 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1c(-c2ccccc2)oc(C)c1C 594086777 BYMRBWZTOAZPAG-HNNXBMFYSA-N 296.370 3.938 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC 595038085 GJCQNDQYGNNYFT-NWDGAFQWSA-N 278.352 3.609 30 20 CHED C=C(CNC(=O)N[C@@H](C)c1cccs1)c1ccccc1 672682638 LXYGANSSNZKQQR-ZDUSSCGKSA-N 286.400 3.822 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)c1ccc(C)cc1 916240860 RGPIBQYEOOHGLL-UHFFFAOYSA-N 282.343 3.919 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc3cc(Cl)cnc3o2)C1 590648764 DCYMKQFUESGLIN-HNNXBMFYSA-N 289.766 3.607 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1c(F)cccc1F 915915518 RADOJCZTRRPZLN-UHFFFAOYSA-N 286.285 3.677 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)c1ccccc1SCC#N 742720258 SYVUKHPREWTEPC-CHWSQXEVSA-N 290.432 3.857 30 20 CHED C=CCC[C@@H](NCCN1Cc2ccccc2C1)c1ccco1 671744249 BFCRZYDAJWKRRI-GOSISDBHSA-N 296.414 3.892 30 20 CHED C=C(C)CNC(=S)N(CC)c1ccc(C)cc1C 917597621 XPDZCSBSJWOVOE-UHFFFAOYSA-N 262.422 3.580 30 20 CHED FC(F)(F)c1cccc(NN=C2CCCn3ccnc32)c1 848399178 LCHHGYDVRFQHOT-UHFFFAOYSA-N 294.280 3.512 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)OCC(C)(C)C#N 842755198 SCHGZQWQDCMOMP-ZDUSSCGKSA-N 251.370 3.852 30 20 CHED CC(C)n1ccnc1CN[C@H]1CCCc2cc(C#N)ccc21 594951157 SBVXANINFKAGSF-KRWDZBQOSA-N 294.402 3.503 30 20 CHED CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)C#N 595813561 VKTXDRSBBWSCMS-LLVKDONJSA-N 289.766 3.729 30 20 CHED N#CC1(CCOC(=O)C2(C#N)CCCCC2)CCCCC1 840219581 XKCQGCVWYROLKF-UHFFFAOYSA-N 288.391 3.868 30 20 CHED CC(C)=CCCC(C)=NNc1ccccc1S(C)(=O)=O 749164385 JFXBAVDJMUURGT-UHFFFAOYSA-N 294.420 3.624 30 20 CHED C[C@@H](C#N)CNCc1ccc(-c2cccs2)cc1 597082196 GXIWQBXNBQGVQT-LBPRGKRZSA-N 256.374 3.664 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)C(C)(C)C 590832470 DMOUSNFFFUHCAH-BBRMVZONSA-N 279.428 3.536 30 20 CHED C#Cc1cccc(NC(=O)[C@]2(C)CCc3ccccc3C2)c1 742507407 CYVJKUCTJDQEHC-HXUWFJFHSA-N 289.378 3.802 30 20 CHED N#CC1(CCN2CCC[C@H](OC3CCC3)C2)CCCCC1 594020580 JBYZBBMAKUZRRS-KRWDZBQOSA-N 290.451 3.884 30 20 CHED CCCNN=Cc1ccc(SC(F)(F)F)cc1 915965631 MGEMVSTWQGDVCC-UHFFFAOYSA-N 262.300 3.632 30 20 CHED CC(C)(C/N=C\c1cc(Cl)ccc1O)c1cccnc1 840711560 AHBXYRQINGRALU-OCKHKDLRSA-N 288.778 3.837 30 20 CHED COc1ccc(/C=C2/Oc3ccccc3C2=O)cc1Cl 742436827 OCRNKGYCEWYWSA-OQLLNIDSSA-N 286.714 3.965 30 20 CHED Cc1cc(CSCc2ccc(C#N)c(C)c2)nc(C)n1 596374867 YZHAMDXHXUVBNA-UHFFFAOYSA-N 283.400 3.707 30 20 CHED Cc1cccc2c1C/C(=C\c1cnc(C(C)(C)C)nc1)C2=O 840717030 NHUDFGHHWPBSNA-RIYZIHGNSA-N 292.382 3.905 30 20 CHED COc1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)cc1C#N 742375164 KBTDHKIMMIXWRI-DLBZAZTESA-N 284.403 3.625 30 20 CHED C[C@@H]1Cc2cc(-c3ccc(OCCC#N)cc3)ccc2O1 844227673 SGFHBNLVFALTKH-CYBMUJFWSA-N 279.339 3.969 30 20 CHED O=C1/C(=C\c2cccnc2Cl)Cc2c(F)ccc(F)c21 749581563 DKUATICFBFXIKX-TWGQIWQCSA-N 291.684 3.836 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H]1CSc2ccccc21 926494530 HUYHLPGCHKDPIU-STQMWFEESA-N 274.433 3.794 30 20 CHED C#CC[C@H](N[C@@H]1CS[C@H](C(C)C)C1)c1ccccc1 754143061 HVHGMWAJYLCODK-ULQDDVLXSA-N 273.445 3.871 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 851083421 JDUNCXOJUCFJIV-BZPMIXESSA-N 255.333 3.530 30 20 CHED CCCn1nccc1/C=C1/CCc2ccc(C)cc2C1=O 853007609 XPYNFSWLBWZKEW-QINSGFPZSA-N 280.371 3.814 30 20 CHED Cc1cc(N[C@@H](C)CC(C)(C)C#N)ccc1N(C)C 926052806 OWUPVNZTQFDICP-ZDUSSCGKSA-N 259.397 3.801 30 20 CHED CCn1nc(C)c(C=NNc2ccccc2Cl)c1C 755471474 JWILBCMNONIULP-UHFFFAOYSA-N 276.771 3.619 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)Cc1ccco1)c1ccccc1 758378355 IDSRMOZCVJUXAD-LSDHHAIUSA-N 283.371 3.687 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(C)s1 754673700 YATFIKHXJCKENA-KGLIPLIRSA-N 294.464 3.520 30 20 CHED CC(=NN=CCCCCOc1ccccc1)c1cnccn1 753959552 LLZDNNUHUWDBGJ-UHFFFAOYSA-N 296.374 3.521 30 20 CHED C=C[C@@H](OC(=O)C[C@H](C)n1nc(C)cc1C)c1ccccc1 851453146 NSQBVAGQDJDKEE-DOTOQJQBSA-N 298.386 3.922 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)c1)c1nccn1C 755466503 DFCTVBSHLXGHSF-UHFFFAOYSA-N 296.296 3.665 30 20 CHED CC(C)CC1(C(=O)Oc2ccc(C#N)cc2)CCC1 757296953 POZQHVPUMLAVOW-UHFFFAOYSA-N 257.333 3.680 30 20 CHED C#CC[C@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1 757618838 ZKRACUYWWGXHPF-INIZCTEOSA-N 299.320 3.659 30 20 CHED Clc1cnc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)c(Cl)c1 755542304 OYOCVZNCFXEDOE-GUBZILKMSA-N 282.174 3.998 30 20 CHED C=C(C)COCCN[C@H](c1cccc(C)c1)c1ccccn1 925532031 PBQGZRKVPSZEQO-LJQANCHMSA-N 296.414 3.662 30 20 CHED Cc1cc(C=NNc2cccc3cnccc23)c(C)n1C 754944651 QRYVUDDJTLAIKU-UHFFFAOYSA-N 278.359 3.636 30 20 CHED COc1ccc(C(=O)/C=C/c2nc(Cl)cs2)c(F)c1 759071101 FDZFKKSTHMDKOF-SNAWJCMRSA-N 297.738 3.840 30 20 CHED COc1ccc(N(C)Cc2ccccc2C#N)cc1Cl 757857510 VEJCHHNEARAJHX-UHFFFAOYSA-N 286.762 3.857 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccc(Cl)nc1)c1ccccc1 756922259 NUIUZZQLAFTJEP-CQSZACIVSA-N 299.761 3.621 30 20 CHED N#CC1(CCCCN2CCO[C@H](c3ccco3)C2)CCC1 929816615 IKCMAVMRJNUCFP-INIZCTEOSA-N 288.391 3.517 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1ccc(Cl)cc1 752287202 IICALFNJMFOMLK-UHFFFAOYSA-N 290.775 3.940 30 20 CHED C#CC[C@@H](NC(=O)Nc1cscc1C)c1ccccc1 757898646 HQEVANOPZJOXKV-CQSZACIVSA-N 284.384 3.943 30 20 CHED Cc1ccccc1CCCOC(=O)c1ccc(C#N)s1 753459000 PCSSRDCXURXPAQ-UHFFFAOYSA-N 285.368 3.718 30 20 CHED FC(F)(F)COc1ccc(CON=CC2CC2)cc1 853735345 RMFGLPWHIUNDNY-UHFFFAOYSA-N 273.254 3.540 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc2cc[nH]c12 851209629 NDPIMDZVOOMHOB-NSHDSACASA-N 270.332 3.653 30 20 CHED CCCCCCCCCCC(=O)N1Cc2cnn(C)c2C1 857878664 QAUBTMMFEKRJCC-UHFFFAOYSA-N 291.439 3.793 30 20 CHED C#CC[C@@H](/N=C\c1cccc(OC)c1O)c1ccccc1 756847567 SUIDCFNZTRVHEM-YZYPPFLQSA-N 279.339 3.584 30 20 CHED Cn1cc(C(=O)/C=C\c2cc(Cl)ccc2Cl)cn1 753717522 LRKXUVQNUZFSIB-DJWKRKHSSA-N 281.142 3.623 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(F)c1)CC2 755599642 DHKBEYHKLNGZBP-MDWZMJQESA-N 298.313 3.752 30 20 CHED CON=Cc1ccc(-c2cccc(Br)c2)o1 767490522 LUHBXQGARSNGPA-UHFFFAOYSA-N 280.121 3.689 30 20 CHED CC[C@H](C(=O)O[C@@H](C#N)CC)C1CCC(C)CC1 764784516 LGFLJBXXJDEUSQ-PQAZSJQKSA-N 251.370 3.684 30 20 CHED C#CCCc1noc(C(CC)(CC)c2ccccc2)n1 762005857 CFXHYUJGNNUWBJ-UHFFFAOYSA-N 268.360 3.742 30 20 CHED CC(CCCCO)=NNc1ccc(Cl)c(Cl)c1 766689795 GEKKTTCWRDFRPN-UHFFFAOYSA-N 275.179 3.944 30 20 CHED C=C[C@H](CC(=O)N(OC)[C@H](C)CC)c1ccccc1 764824786 GNWGCBMWBOSENU-ZIAGYGMSSA-N 261.365 3.535 30 20 CHED CC/C=C/CCOC(=O)c1ccc(Cl)c(C#N)c1 767601238 ZKJJUWFSDXUTFV-ONEGZZNKSA-N 263.724 3.725 30 20 CHED Clc1cc(CON=Cc2cccs2)cc2c1OCO2 763399762 GFIOHYJIIGRTGJ-UHFFFAOYSA-N 295.747 3.681 30 20 CHED Cc1cccc(F)c1NN=Cc1occc1Br 769840412 KBZKWRBYRXLFON-UHFFFAOYSA-N 297.127 3.936 30 20 CHED COc1ccc(NN=C(C)c2ccc(O)c(Cl)c2)cc1 768784469 RDTAGRATCJOJMA-UHFFFAOYSA-N 290.750 3.890 30 20 CHED C=CCOCCCOC(=O)/C=C/c1ccc(SC)s1 860290008 OBAZDELGXRUTQK-FNORWQNLSA-N 298.429 3.619 30 20 CHED CN(C)c1cccc(C(=O)OCCCCC(C)(C)C#N)c1 768372970 UQHOCEPAWVSMHY-UHFFFAOYSA-N 288.391 3.629 30 20 CHED CC[C@H](C(=O)OCC1(CC#N)CC1)c1ccc(F)cc1 764780190 RCLYNHYCWCHUOR-AWEZNQCLSA-N 275.323 3.556 30 20 CHED CC(C)(CC#N)COC(=O)[C@H]1C[C@]12CCCc1ccccc12 764842887 KBPGGUHFTDYLOK-APWZRJJASA-N 297.398 3.764 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc3c(c1)ncn3C)C2 761198217 GUPUMOMSVSUAHA-NVNXTCNLSA-N 288.350 3.704 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C1CC(C(F)F)C1 766015765 BFQNOXKXTYJSAE-UHFFFAOYSA-N 289.669 3.691 30 20 CHED Fc1ccc(-c2ccc(C=NOCC(F)(F)F)o2)cc1 764836303 RYBGMRCGQBABBL-UHFFFAOYSA-N 287.212 3.999 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 879037347 WZUGICFSLKUWRI-AWEZNQCLSA-N 297.402 3.652 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(Cl)c1O 779170235 SKYYZRYEYOFWOO-UHFFFAOYSA-N 291.778 3.869 30 20 CHED N#Cc1c(COC(=O)C[C@@H]2C=CCCC2)cn2ccccc12 778398355 NOAWOKIXLNLZLI-CQSZACIVSA-N 294.354 3.601 30 20 CHED N#C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1F)C1CC1 870222392 YHLDIZLDFFXLEK-SNVBAGLBSA-N 288.105 3.591 30 20 CHED C#CCCCCCc1nc(-c2ccc(C)c(F)c2)no1 779741407 MLHYEJIWDKSRHI-UHFFFAOYSA-N 272.323 3.920 30 20 CHED C=C(Br)CNC(=O)Nc1ccc(CC)c(C)c1 770098466 HJPHDWVYPSCJMO-UHFFFAOYSA-N 297.196 3.588 30 20 CHED CC(=O)Nc1cccc(C(C)=NOC2CCCCC2)c1 777459411 QBVTWQMUKCZVKA-UHFFFAOYSA-N 274.364 3.718 30 20 CHED N#CC[C@@H](O)CSC1CCC(c2ccccc2)CC1 871698355 UDTVNWWIXCGRBF-HWOWSKLDSA-N 275.417 3.721 30 20 CHED C=CCN(C)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 779537723 OICNOJWNSFBKRG-ZIAGYGMSSA-N 266.429 3.666 30 20 CHED Cc1nc(Cl)sc1C(=O)O[C@@H](C#N)C1CCCCC1 776390982 BDOMMKLRHNASNF-JTQLQIEISA-N 298.795 3.734 30 20 CHED Cc1cc(F)ccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 771400881 HTJDZFWKHZNZHA-LBPRGKRZSA-N 283.302 3.924 30 20 CHED Cc1c(C#N)cccc1NCc1occc1Br 779598962 NQQXVKUCJROUAR-UHFFFAOYSA-N 291.148 3.834 30 20 CHED CCC(=NNc1nccnc1C(C)C)c1ccc(OC)cc1 773094841 RZZQEZNUUPMICM-UHFFFAOYSA-N 298.390 3.835 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1cscn1 776193840 VOLMBNQCZFLEHA-RJRFIUFISA-N 294.719 3.601 30 20 CHED C=C1CCC(C(=O)Nc2c[nH]c3ccccc23)CC1 888116429 KZRJMEVBBHMCFY-UHFFFAOYSA-N 254.333 3.853 30 20 CHED C=CCCC[C@@H](NCCn1cnnc1CC)c1ccccc1 883194313 SRIKPNFDRGVXRA-QGZVFWFLSA-N 298.434 3.528 30 20 CHED CC(C)[C@H]1C[C@H](Nc2nc3ccccc3cc2C#N)CCO1 771711608 YZTYXBHGSKTDJO-NVXWUHKLSA-N 295.386 3.722 30 20 CHED C[C@@H](OC(=O)c1ccsc1C#N)c1ccc(Cl)cn1 1128121366 JSOFOOYVJXADTQ-MRVPVSSYSA-N 292.747 3.586 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 76070288 UHOKBXOYOOGRQS-HZPDHXFCSA-N 274.433 3.664 30 20 CHED Cc1csc(NC(=O)c2cc(F)ccc2Cl)c1C#N 1128850179 MTCGUZDDNWBFIL-UHFFFAOYSA-N 294.738 3.973 30 20 CHED CCOC(=O)[C@@H]1CCC(=NN[C@@H]2CCCC2(C)C)C[C@@H]1C 782287722 NPFLSSYUOGEWGZ-NWANDNLSSA-N 294.439 3.510 30 20 CHED Cc1cc(C=NNc2ccc(Cl)cc2)sn1 785450111 COHXNVURVUHVQI-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CC(C)C[C@@H]1CCC1=NNc1cccc(C(=O)O)c1 1776038423 JXASCIZVFGNJLL-NSHDSACASA-N 260.337 3.609 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(O)c2ccsc2c1 786132584 VRXOVHHQXNRJGJ-UHFFFAOYSA-N 289.356 3.704 30 20 CHED CC(=NNC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl 782226154 SKUZUWQEALRTMN-UHFFFAOYSA-N 281.743 3.504 30 20 CHED Cc1cccnc1C=NNc1cccc2ccccc12 781591871 SUPVBGRUYMSWDM-UHFFFAOYSA-N 261.328 3.989 30 20 CHED C=CC[C@@H](C(=O)N1CCC[C@@H](CF)C1)c1ccccc1 881599850 DFNMNNUFWNFWBW-GOEBONIOSA-N 275.367 3.554 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc(C)c(C)c1 785754292 QJCNIABRPHBSCE-KRWDZBQOSA-N 274.360 3.632 30 20 CHED CC[C@](C)(C#N)c1nc([C@H](C)c2cccc(F)c2)no1 897067306 HFCQFCGFCUFCPE-MEBBXXQBSA-N 273.311 3.552 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1nc2ccccc2o1 781809723 TZPBHRGNDJVRBA-SECBINFHSA-N 298.323 3.679 30 20 CHED CC(=NOC1CCCC1)c1ccc(C#N)cc1Cl 788438050 HACDFTBMOMOUAE-UHFFFAOYSA-N 262.740 3.895 30 20 CHED C#CCCCCCC(=O)Nc1cnn(CCCC)c1C 780661221 UOTCHMVVPXNHMS-UHFFFAOYSA-N 275.396 3.514 30 20 CHED CCO[C@H]1CC(=NNc2ncncc2Cl)C1(CC)CC 780281517 NJHLPFUDGNTFCF-LBPRGKRZSA-N 296.802 3.513 30 20 CHED Cc1cc(COC(=O)[C@@H](C)c2cccs2)ccc1C#N 783746216 ROOBJRKVYWKSCX-LBPRGKRZSA-N 285.368 3.775 30 20 CHED C=C(C)COC(=O)c1c(F)ccc(C)c1Br 785113577 HQPQWVQCMVYZCP-UHFFFAOYSA-N 287.128 3.630 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cc2cccc(Cl)c2o1 783079963 CCLQIHTVEVDWGK-GFCCVEGCSA-N 277.707 3.791 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)n1 1130815089 NBCNWAPWYBBJRH-KBPBESRZSA-N 297.402 3.725 30 20 CHED C#CCCCCN[C@@H]1CC[C@@H](Cc2ccccc2)C1 780535753 HBKYGGZRILGNRG-ZWKOTPCHSA-N 255.405 3.791 30 20 CHED C=CCN(C(=O)C1(Cc2ccccc2F)CC1)C(C)C 786612446 UWRQMABTOXRLIY-UHFFFAOYSA-N 275.367 3.571 30 20 CHED N#Cc1cc(F)c(N[C@@H](c2ccccn2)C2CC2)c(F)c1 895793587 MQVPEBKBQKJNQL-OAHLLOKOSA-N 285.297 3.795 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1cc(C)on1 790296944 FXTGBPJJGOHQIJ-UHFFFAOYSA-N 284.237 3.805 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1ccc2occc2c1 794926666 FFKDHVUIDCBQTC-UHFFFAOYSA-N 276.299 3.755 30 20 CHED CC1(C)CCCN(Cc2cccc(F)c2Cl)[C@H]1C#N 549614104 XEDLMSIIXABJCU-ZDUSSCGKSA-N 280.774 3.993 30 20 CHED C#C[C@H](NC(=O)CCSc1ccccc1Cl)C(C)C 704276414 MRODCHOTYFTUDL-ZDUSSCGKSA-N 295.835 3.596 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCC[C@H](C)C1 189940714 BDUBUMFYGWRDFC-UONOGXRCSA-N 264.413 3.744 30 20 CHED COc1ccc(OC(=O)c2ccc(C#N)o2)c2ccccc12 796932740 HSWUGHOUQVDZGT-UHFFFAOYSA-N 293.278 3.532 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)c1nnc2n1CCC2 59487398 DUMSUHRZROQMER-ZIAGYGMSSA-N 278.444 3.624 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(C)C 799042762 OCSFDUAOFAJZBU-OTWHNJEPSA-N 291.394 3.717 30 20 CHED Cc1nc2c(s1)C(=NN[C@@H](C)C(C)(C)C)CCC2 793114321 FVYGNICZHUDLIY-VIFPVBQESA-N 265.426 3.516 30 20 CHED C=CCC[C@H](CC)Nc1ccc(OC(C)C)c(C(N)=O)c1 793382858 MDIMYOXVZSQNIC-ZDUSSCGKSA-N 290.407 3.729 30 20 CHED CC[C@@H](C)NN=Cc1c(Cl)oc2ccccc12 790189513 OKEYVCAEENBJNZ-SECBINFHSA-N 250.729 3.808 30 20 CHED COc1ccccc1CON=Cc1cc(C)cc(C)c1 799118516 JVYBJATXAQNIMV-UHFFFAOYSA-N 269.344 3.863 30 20 CHED Clc1cccc(NN=C2CCC[C@H]2c2ccccn2)n1 793174553 KIIARVWVWNZENJ-NSHDSACASA-N 286.766 3.866 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccccc1Cl 796463325 ORFVRNHMYBPWOJ-UHFFFAOYSA-N 252.741 3.986 30 20 CHED N#CCOc1ccc(CN2CC[C@@H](C3CCCCC3)C2)cc1 1137120312 CVHCZVDBXJJPNZ-GOSISDBHSA-N 298.430 3.991 30 20 CHED CC(C)n1nccc1/C=C1\CCc2ccc(F)cc2C1=O 794945933 LPBIHQYVOKSXSE-UKTHLTGXSA-N 284.334 3.816 30 20 CHED Cc1noc(C)c1[C@H](C)Nc1c(F)cc(C#N)cc1F 83574492 XLRAOHZFRBKAMP-ZETCQYMHSA-N 277.274 3.614 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C1CC1 797571027 KZRUPPACTFAUMZ-ONGXEEELSA-N 276.405 3.663 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1cc(C#N)oc1C 797807607 CILVMXZDMOJGKS-LLVKDONJSA-N 262.353 3.548 30 20 CHED N#Cc1ccc(C(=O)Oc2cc(Cl)ccc2Cl)o1 796733884 XTBHITAWRHBJGT-UHFFFAOYSA-N 282.082 3.677 30 20 CHED CC[C@H](C)CON=C1CCN(c2ccc(OC)cc2)CC1 793163247 HTLZZDXLFBITLU-AWEZNQCLSA-N 290.407 3.714 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](C)c1ccc(F)cc1 797884374 LXSBAWFFWUIHJP-SECBINFHSA-N 273.263 3.517 30 20 CHED C=CCCCCN1CCO[C@H](c2ccccc2F)C1 581529306 GBGNMHFOLQUYFD-INIZCTEOSA-N 263.356 3.555 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(C)c(C)o2)c1F 799897277 NNGMQRYLLUQFDD-FPLPWBNLSA-N 274.291 3.940 30 20 CHED COc1cc(F)ccc1NN=C1CCC[C@@H]1CCF 794940166 RKAZDBCLLCDUTR-SNVBAGLBSA-N 268.307 3.762 30 20 CHED C=CCC[C@@H](NCCc1cnc(C)s1)c1ccco1 796839393 OJSKGQUCAQCXRJ-CQSZACIVSA-N 276.405 3.884 30 20 CHED C=C(C)CNC(=S)N(CC)c1ccc(Cl)cc1F 799506987 HHQMTQLQOLHAIZ-UHFFFAOYSA-N 286.803 3.756 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1c(C)cnn1C)CS2 794714853 VNGZZBWTKPRFHV-QPEQYQDCSA-N 298.411 3.717 30 20 CHED CCCCCCCC(=O)OCc1cnc(Cl)cn1 798598482 YUEPNQJLVNIXBY-UHFFFAOYSA-N 270.760 3.534 30 20 CHED Cc1cccc(F)c1CNc1cccc(F)c1C#N 742421086 KAMZPBYEBHPXQS-UHFFFAOYSA-N 258.271 3.757 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC1CCCCCC1 1215786063 AHSPNRNZMBWKTC-UHFFFAOYSA-N 285.391 3.959 30 20 CHED Cc1nnc(N2CCC(C)(C)CC(C)(C)C2)c(C#N)c1C 1307162186 AXCMPPJYQFDWST-UHFFFAOYSA-N 286.423 3.618 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN1CCc2ccc(C#N)cc21 1168924247 ACTBKBRKAARLPP-RDTXWAMCSA-N 284.403 3.516 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCC1(C#N)CCC1 1312883373 IZUWPHDTZSZRGB-KGLIPLIRSA-N 291.439 3.584 30 20 CHED N#Cc1c[nH]ccc1=NC(C1CCCC1)C1CCCC1 1643216802 KVMJTXRURSGYQM-UHFFFAOYSA-N 269.392 3.536 30 20 CHED CC(C)[C@@H](C=NOC(C)(C)C)CNC(=O)OC(C)(C)C 1326865077 YPFHGOYAAKCGHP-GFCCVEGCSA-N 286.416 3.584 30 20 CHED CC(C)Cc1nnc(C#Cc2ccc(C(F)(F)F)cc2)o1 1327837608 RQCSTRFDXNXTFN-UHFFFAOYSA-N 294.276 3.687 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1nc(C(C)(C)C)cs1 1324968970 FGMNVFIEVBMIDS-LLVKDONJSA-N 292.448 3.667 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1cccc(C#N)c1 1189561036 OVIATJQIABOHNE-UHFFFAOYSA-N 282.730 3.971 30 20 CHED C=CCC(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)o1 1322306103 ICBGCDPYCXVOAZ-UHFFFAOYSA-N 298.342 3.744 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](C)c1ccc(C)o1 1337487715 FTQUVTLFIRRYQX-KGLIPLIRSA-N 261.365 3.649 30 20 CHED Cc1nc(N(C)[C@@H]2CCC[C@H]2C(C)(C)C)ccc1C#N 1186747544 JOCCRJSSXIBWMH-HUUCEWRRSA-N 271.408 3.913 30 20 CHED C#Cc1ccc(N2CCC(c3ccsc3)CC2)nc1 1336583658 LAJPWEVBQREGTA-UHFFFAOYSA-N 268.385 3.508 30 20 CHED C=C[C@@H](COC)N[C@@H]1CCCc2ccc(Cl)cc21 1255019624 RVADEUXCJGWLLO-DZGCQCFKSA-N 265.784 3.508 30 20 CHED CCCCCC(C)(C)C(=O)N1CCCc2nc(C#N)ccc21 1334230976 OUBNFEYXKZUVMZ-UHFFFAOYSA-N 299.418 3.839 30 20 CHED C=C(C)CCC(=O)N[C@@H](C1CCCC1)C(F)(F)F 1337131044 BTKWFWHCFNMFCP-LBPRGKRZSA-N 263.303 3.580 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)Cc1ccccc1CC#N 1344378371 IMTWHCCMUMIAMU-LJQANCHMSA-N 298.430 3.722 30 20 CHED Cc1cnc(CSCc2ccc(Cl)cc2C#N)nc1 1346906650 ZNBZSFJNRMLQSJ-UHFFFAOYSA-N 289.791 3.744 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)ccn1 1262810145 ZCEZLVUTSJGPDN-GFCCVEGCSA-N 298.308 3.671 30 20 CHED C=C1CC(c2noc(Cn3cc(C)c4ccccc43)n2)C1 1262115991 SUVONRAQIQHKDN-UHFFFAOYSA-N 279.343 3.815 30 20 CHED Cc1cccnc1[C@H](C)Nc1nc(C)c(C#N)cc1Cl 1262711563 ALLZSGJZVVMVET-NSHDSACASA-N 286.766 3.792 30 20 CHED CC(C)(C)ON=Cc1cc(Br)cnc1Cl 1349294099 DWKFWWPMNPCIJP-UHFFFAOYSA-N 291.576 3.647 30 20 CHED N#CCOc1cccc(NC(=O)c2cccc(C3CC3)c2)c1 1357280748 MZJBRCSIVNKQNF-UHFFFAOYSA-N 292.338 3.719 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C(=O)O[C@H](C)CC#N 1515115262 SRQAEVWSXUVMKN-MRVPVSSYSA-N 276.723 3.589 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](C#N)CCc1ccccc1 1442748144 LGPSARSBQPOGJO-KBAYOESNSA-N 298.430 3.701 30 20 CHED C=C(CC)C(=O)N1CCC(c2cccc(F)c2F)CC1 1520037933 VQGOBAFSBJULRE-UHFFFAOYSA-N 279.330 3.637 30 20 CHED C=C[C@@H](C(=O)NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1 1528592483 IFJQNSJOSXZKGJ-DLBZAZTESA-N 299.414 3.564 30 20 CHED CSc1ccc(NC(=O)c2csc(C#N)c2)cc1 1523416733 DMXLSTCAMJXJAV-UHFFFAOYSA-N 274.370 3.594 30 20 CHED CC[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)[C@H]1C 1539122109 QHFPDEZTCVMOSO-QWHCGFSZSA-N 288.416 3.563 30 20 CHED N#C[C@H](Cc1ccccc1)SCc1ccccc1C(=O)O 1601047737 CETCVSZGXGCFFU-HNNXBMFYSA-N 297.379 3.753 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc2c(ccc3ccccc32)o1 1539942918 UZEQDURQZCJZHF-LBPRGKRZSA-N 292.338 3.960 30 20 CHED N#Cc1ccc(CNCCc2ccc(Cl)s2)c(F)c1 227596258 CBCWXIZVBXLFRE-UHFFFAOYSA-N 294.782 3.745 30 20 CHED CCC(CC)CN(CCC#N)C(=O)OC1CCCC1 1621763786 KQOSZJNPZJVWKO-UHFFFAOYSA-N 266.385 3.717 30 20 CHED N#Cc1ccc(Oc2cccc(Nc3cnccn3)c2)cc1 1559100503 UBITXVVBYCFDJA-UHFFFAOYSA-N 288.310 3.884 30 20 CHED N#Cc1c(F)cccc1Oc1cc(F)cc([N+](=O)[O-])c1 121529570 QTUJBJIDAXPJKI-UHFFFAOYSA-N 276.198 3.537 30 20 CHED CC[C@@H]1CCCC[C@H]1NCCc1ccc(C#N)cc1 1642808493 PTNLMIPYRMKTOA-IAGOWNOFSA-N 256.393 3.659 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](c1cnn[nH]1)C(C)C 1575093546 MOHYTOZMVAOQNN-UKRRQHHQSA-N 264.417 3.616 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 1583671796 PYGDHJPXRJCMJA-HOTGVXAUSA-N 284.403 3.811 30 20 CHED Cc1ccccc1SCC(=O)Nc1ccc(C#N)cc1 6234621 FUYGGOLACCRJEB-UHFFFAOYSA-N 282.368 3.598 30 20 CHED N#Cc1c[nH]ccc1=N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 1655579355 PGHZNHAYEIBVMI-BBRMVZONSA-N 297.789 3.777 30 20 CHED Cc1nc(C#N)cc(Nc2ccc(CC(F)(F)F)cc2)n1 1650782086 PGKHONXWEZFVMP-UHFFFAOYSA-N 292.264 3.505 30 20 CHED CC1(C)CCc2ccccc2[C@@H](Nc2cc(C#N)cnn2)C1 1650999279 BZUQMOVYCBSPJH-INIZCTEOSA-N 292.386 3.864 30 20 CHED C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)C1CCCCC1 1584409682 UKGPVNDEZZUNHH-RHSMWYFYSA-N 284.403 3.769 30 20 CHED Cc1ccc(CCNc2cccc(F)c2C#N)c(C)c1 1650683317 KRKAAOMJWVNDDG-UHFFFAOYSA-N 268.335 3.969 30 20 CHED COC1(CNCc2cccc(F)c2C#N)CCCCCC1 1660859738 OZYJCVQHUSDKCR-UHFFFAOYSA-N 290.382 3.526 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1[C@@H]1CCCC1=O 124563075 SJIKVMQJKRWVAW-GJZGRUSLSA-N 279.424 3.707 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)Nc1sccc1C#N 1678963441 YBMWYPURTFMQBQ-CQSZACIVSA-N 297.383 3.737 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1C(=O)O 1776127622 YRCQDIQXDVPPSU-CLFYSBASSA-N 296.322 3.598 30 20 CHED CCCC(CC)=NNc1ccc(F)c(C(=O)O)c1 1776062310 NUPVTLIHBLPXLO-UHFFFAOYSA-N 252.289 3.502 30 20 CHED CC(C)[C@@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776075453 IROGTNRKGZFWAN-SNVBAGLBSA-N 278.327 3.748 30 20 CHED C=CCCCCCN1CCC(CCC=C)(C(=O)O)CC1 1776173376 IBELFTGRMKFABU-UHFFFAOYSA-N 279.424 3.866 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCOc2ccccc21 158714652 PUXSMQZWFAYWCT-HNNXBMFYSA-N 288.391 3.508 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(O)c(C)c2)cc1 151868610 AHGJKKVSNGTOBR-UHFFFAOYSA-N 283.327 3.518 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(OC)ccc1OC 151302980 FZDYYGNXFHUMOW-UHFFFAOYSA-N 290.359 3.515 30 20 CHED CC1(CC(=O)N(CCC#N)CC(F)(F)F)CCCCC1 152748719 BKQDNZRXCLGNQN-UHFFFAOYSA-N 290.329 3.651 30 20 CHED C=C(C)CNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 156395549 WCIKFRXRDZTRBL-LBPRGKRZSA-N 272.348 3.711 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)c(F)c1F 157986325 JGOMLKYBNRNNQZ-UHFFFAOYSA-N 269.266 3.811 30 20 CHED Cc1ccc(CN(C)c2nccc(C#N)c2Cl)cc1 234302229 WFKLVJXOIYPTAB-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C=CCC[C@@H](C)NCc1ccc(Br)cc1 126797852 KKVAERNCHSKHDB-LLVKDONJSA-N 268.198 3.893 30 20 CHED COc1cc(C#N)ccc1N[C@@H](C)c1ccccc1F 129933551 CVQRLTHTMVBCEZ-NSHDSACASA-N 270.307 3.879 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccsc2)cc1 25438715 QISQIILQVMQWEG-UHFFFAOYSA-N 270.357 3.802 30 20 CHED CC(C)C[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 37255378 CVHZSNDAJWXYFO-KGLIPLIRSA-N 260.381 3.674 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)cc1)C(C)C 47833741 UMTDDDADXZEPDI-UHFFFAOYSA-N 258.365 3.599 30 20 CHED CN(Cc1cccs1)c1nc2c(cc1C#N)CCCC2 49957047 MKLIPFVQJJEMSF-UHFFFAOYSA-N 283.400 3.530 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2ccsc2Cl)c(F)c1 186936127 IMKRHLDXJSFJKH-UHFFFAOYSA-N 298.701 3.804 30 20 CHED CC(C)CN1CCC(Nc2ccc(Cl)cc2C#N)CC1 301158103 OCVBPLUPZKLZNM-UHFFFAOYSA-N 291.826 3.744 30 20 CHED CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 404186287 DWUYHRSDSUYAIK-CQSZACIVSA-N 260.356 3.565 30 20 CHED C=C(C)CCN1CCc2c(Br)cccc2C1 509278373 GZZUOWRARNRQDW-UHFFFAOYSA-N 280.209 3.773 30 20 CHED N#Cc1ccc(NC[C@H]2CCCSC2)cc1Cl 310483488 FIKGXXZHWPBKTB-SNVBAGLBSA-N 266.797 3.767 30 20 CHED C[C@H](CCC#N)CN(Cc1ccccc1)CC(F)F 602485020 MJOATWNNPLLDDY-CYBMUJFWSA-N 266.335 3.694 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)ccc2F)C1 617783585 CHADVKHIMVZNIN-CYBMUJFWSA-N 261.340 3.562 30 20 CHED N#Cc1cccc(C/N=C(/O)[C@@H]2CC23CCCC3)c1 329950007 HOWOWFKQYUKBLW-AWEZNQCLSA-N 254.333 3.595 30 20 CHED C[C@H]1C[C@H](Nc2ccc(OCC#N)cc2)CC[C@H]1C 84982315 ZXJOSSXNMJTHTN-VNHYZAJKSA-N 258.365 3.826 30 20 CHED N#Cc1cc[nH]c(=NCc2ccc(C3CC3)cc2)c1Cl 343203015 HGSJCIBLPGMZHW-UHFFFAOYSA-N 283.762 3.518 30 20 CHED CCC[C@H](NCc1ccc(CC#N)cc1)C1CCC1 398976806 ZGASKTKVLLDSTO-KRWDZBQOSA-N 256.393 3.811 30 20 CHED CN(Cc1ccc(CC#N)cc1)C1CCCCCC1 399012970 ZELLENILTCHJON-UHFFFAOYSA-N 256.393 3.907 30 20 CHED C=CC[C@H](C)NC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 823871843 PELCQEGHENBOBD-ZNMIVQPWSA-N 296.455 3.576 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cn1)c1ccccc1Cl 107790883 VXGNOBXRMGDKSK-JTQLQIEISA-N 286.718 3.525 30 20 CHED Cc1c(CN(CCC#N)CC(C)(C)C)cccc1[N+](=O)[O-] 109811794 VYIZIUKRTBRCTR-UHFFFAOYSA-N 289.379 3.665 30 20 CHED N#Cc1c(F)cccc1OCc1ccc(F)cc1F 115351532 BYDFHDNZLKJDOW-UHFFFAOYSA-N 263.218 3.555 30 20 CHED N#Cc1ccc(CN2CCC(OCC3CCCC3)CC2)cc1 177501419 RZZFSUUSLHOEDR-UHFFFAOYSA-N 298.430 3.729 30 20 CHED N#Cc1cccc(OCc2cc(-c3ccccc3)no2)c1 54149692 OOBHIOXNVQFVDC-UHFFFAOYSA-N 276.295 3.792 30 20 CHED N#CC1(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CCCCC1 110576685 YHWVYZHPBSNNBO-SJORKVTESA-N 296.414 3.913 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(Cl)nc1Cl 102830893 FARSFUKTQMSXJH-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccc(-c2ccccc2)s1 171551373 XKYBLYUWVLLUFD-GFCCVEGCSA-N 284.384 3.789 30 20 CHED N#Cc1cccc(CN(Cc2ccccc2F)C2CC2)c1 67445775 HJIXZMKVRFZOHQ-UHFFFAOYSA-N 280.346 3.862 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc(Oc2ccncc2)c1 116858832 NVKQSEQDVKXZBG-CYBMUJFWSA-N 282.343 3.568 30 20 CHED C[C@@H](Sc1cc(C#N)ccn1)c1ccc(C#N)cc1 118175736 SHTRSNNXLCKMIY-LLVKDONJSA-N 265.341 3.678 30 20 CHED CCCCCCCCN/C(N)=N/C[C@H](C)c1nccs1 305811253 JJNCELCYAITASG-ZDUSSCGKSA-N 296.484 3.511 30 20 CHED N#Cc1ccccc1CNc1ccc2scnc2c1 170642239 AJKIABURPUSTBG-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1cccc(C)c1C 119860044 KNMDZDBDSXAPJY-OAHLLOKOSA-N 257.377 3.674 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(C)cc2)no1 172057058 WGPRCWPEGWHQKR-GFCCVEGCSA-N 258.321 3.699 30 20 CHED O=c1c2ccsc2ccn1CC#Cc1ccc(Cl)cc1 182925838 QLBUUVVKGCMDII-UHFFFAOYSA-N 299.782 3.768 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)Cc1ccc(C#N)cc1 172990192 ZHQRXEFUKWYZRQ-PBHICJAKSA-N 284.403 3.528 30 20 CHED N#Cc1nc(N2CCC3(CCCC3)CC2)ccc1Cl 301388182 XCOGEWGRCCWTPL-UHFFFAOYSA-N 275.783 3.767 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccccc1Cl 116933816 ZJUYJZMPKBFKRI-WDEREUQCSA-N 266.772 3.665 30 20 CHED N#Cc1cc2c(nc1NC[C@@H]1Cc3ccccc31)CCCC2 301116014 MDKULVWAQFAPML-INIZCTEOSA-N 289.382 3.584 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)NCCCCC#N 172004167 DLTIRMYJFILNFS-OAHLLOKOSA-N 264.413 3.793 30 20 CHED CCOc1ccccc1NC(=O)Nc1cccc(C#N)c1C 178559147 HKVUJMBRSJXQAG-UHFFFAOYSA-N 295.342 3.909 30 20 CHED N#Cc1csc(CN[C@H](c2ccccc2)[C@H]2CCCO2)c1 177692405 DIEQUEMRORITBQ-IAGOWNOFSA-N 298.411 3.630 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cccc3c2OCCO3)c1 303360739 ZRGJMLKBXVDXGC-VOTSOKGWSA-N 294.350 3.971 30 20 CHED Cc1ccc(C(C)(C)CNc2ccc(C#N)nc2)cc1 301538932 UTKITIUFCBJWJA-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CSCCc1ccc(NC(=O)c2cccc(C#N)c2)cc1 67856880 HQLIVUWAADKOIT-UHFFFAOYSA-N 296.395 3.716 30 20 CHED CN(C[C@H]1CCCCO1)c1ccc(C#N)cc1C(F)(F)F 301359353 ZUQXBHYKZHICEO-GFCCVEGCSA-N 298.308 3.582 30 20 CHED CC[C@H](C#N)Nc1cccc(OCC(F)(F)F)c1C 122230709 BUNUFEZIHYPEFJ-SNVBAGLBSA-N 272.270 3.650 30 20 CHED CC(C)[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 122421208 QIPHPKWKEOGJFL-HZPDHXFCSA-N 286.419 3.871 30 20 CHED C=CCC1(C(=O)Nc2cc(F)c(F)c(F)c2)CCC1 188015587 JPHJRJPDMBJFMN-UHFFFAOYSA-N 269.266 3.789 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@H](O)C1 119944608 PZQCMJJSWXETOW-HNNXBMFYSA-N 269.429 3.501 30 20 CHED N#Cc1cccc(SCc2ccc(C#N)cc2F)c1 177105639 UBYOHLVFFJQOSE-UHFFFAOYSA-N 268.316 3.861 30 20 CHED CCN(C[C@H](C)C#N)c1nc(C(F)F)nc2ccccc12 301569697 XNOWMMBNRMKQAG-SNVBAGLBSA-N 290.317 3.553 30 20 CHED C[C@H](C#N)NC(=O)c1ccc(SCc2ccccc2)cc1 125223040 CEVNMJKZEZTJII-CYBMUJFWSA-N 296.395 3.621 30 20 CHED C[C@H]1C[C@@H](C)CN(CCCN[C@@H](C)c2cccc(C#N)c2)C1 181513883 ATYAPLZDLTXCLL-BBWFWOEESA-N 299.462 3.577 30 20 CHED CCCCCCCC(=O)NC1CCC(C(=O)OCC)CC1 124614694 UNMSENCJWZILKR-UHFFFAOYSA-N 297.439 3.585 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 188489596 SQAVUXCIPDTZSO-WBMJQRKESA-N 290.363 3.683 30 20 CHED CC(C)(C#N)CCCCSCCOCC1CC1 435879062 ALDWERVPDLUHLC-UHFFFAOYSA-N 255.427 3.866 30 20 CHED CC[C@@H](NCCCCC#N)c1nc(C(F)(F)F)cs1 185940381 ZMQCWCOUQUSBGH-SECBINFHSA-N 291.342 3.896 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(C#N)cc1 33745297 LRBBHFHVYIYHEF-QXMHVHEDSA-N 277.323 3.853 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 410119577 RJVUAFLBUMHBIK-SWLSCSKDSA-N 279.811 3.990 30 20 CHED C=CCC[C@@H](NCCCCNc1ccccn1)C1CC1 120904799 PWXJEDSZCSRJNG-MRXNPFEDSA-N 273.424 3.608 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(C)n1C1CC1 76880654 RZTMYHCFPRHGRV-UHFFFAOYSA-N 297.333 3.703 30 20 CHED N#Cc1cc2c(nc1NCc1ccc(F)c(F)c1)CCCC2 314788935 JVANOABOVSSFJC-UHFFFAOYSA-N 299.324 3.722 30 20 CHED N#CCCCCN[C@H](c1ccccc1)c1ccc(F)cn1 183551128 IFXHQGBINQOGTM-QGZVFWFLSA-N 283.350 3.594 30 20 CHED CC(C)C[C@@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 76100139 LSJIZKZVMIUPPS-OLZOCXBDSA-N 283.375 3.811 30 20 CHED C=C(C)[C@H](CC(=O)NCC[C@@H](C)c1ccccc1)OCC 410219312 WKBXSPHDERKFAN-WBVHZDCISA-N 289.419 3.668 30 20 CHED N#Cc1cc(Br)ccc1NCC1CCC1 126658000 RUUBXVQVNZUOBZ-UHFFFAOYSA-N 265.154 3.533 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc(Oc2ccccc2)ccn1 187978930 BYDUCQIJMIMZIA-CYBMUJFWSA-N 296.326 3.723 30 20 CHED COc1cccc2c1CCN([C@H](C)c1cccc(C#N)c1)C2 187720982 UGTTZKYSRQGHLB-CQSZACIVSA-N 292.382 3.686 30 20 CHED C=CCn1c(S[C@H](C)CC)nnc1-c1ccoc1C 78836786 CRWRYBDBHIFELN-SNVBAGLBSA-N 277.393 3.923 30 20 CHED N#Cc1cccc(CN[C@@H]2C[C@H]2C2CCCCC2)c1 610271479 NCKRNYKUMAIKMO-DLBZAZTESA-N 254.377 3.617 30 20 CHED C=C(Cl)C[S@](=O)Cc1cc(Cl)ccc1Cl 78736507 UGLOGVFEUAQCDW-OAHLLOKOSA-N 283.607 3.995 30 20 CHED CC(C)N(Cc1cccnc1)Cc1ccc(F)cc1C#N 125638200 WNUIQDYAJVDJND-UHFFFAOYSA-N 283.350 3.503 30 20 CHED Cc1cc(CNCc2cccc(Cl)c2)ccc1C#N 443969996 ZJEYBKGTVYODPG-UHFFFAOYSA-N 270.763 3.810 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cnc(C#N)c(Cl)c1 411024446 AZLWOEBIHQJZST-SNVBAGLBSA-N 279.771 3.617 30 20 CHED N#CCCSCc1nc2ccccc2n1C(F)F 413012080 KXWGZOHCVYBWFW-UHFFFAOYSA-N 267.304 3.578 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(F)cccc1Cl 182656983 JZFDANKIPBDEQP-JTQLQIEISA-N 269.747 3.954 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416102942 OLMZZWXAGCMUSE-MZMPZRCHSA-N 294.398 3.654 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H](c2ccccc2)CC1 180007008 SJJQTLIQLJUNOH-GOSISDBHSA-N 283.415 3.976 30 20 CHED C[C@@H](C#N)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 334394799 BBMFOJAVJMMFBX-IUCAKERBSA-N 285.174 3.672 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 412129112 JTSAWOJWSJOILD-DDTOSNHZSA-N 263.768 3.524 30 20 CHED C[C@H](CCc1cccc(F)c1)C(=O)[C@H](C#N)c1ccccn1 76824825 MFLMZRUOYNJOOH-CZUORRHYSA-N 296.345 3.666 30 20 CHED CCN(Cc1nc(C(C)C)no1)[C@@H](C)c1ccc(C#N)cc1 42741824 UHVRJQSWAWJZCL-ZDUSSCGKSA-N 298.390 3.648 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1cccs1 182640730 BKSWUHGMMRDGIC-RYUDHWBXSA-N 251.395 3.713 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(F)cc2C#N)C1 174339851 WSXKAMIKVNGROF-HZPDHXFCSA-N 292.423 3.803 30 20 CHED Cc1ccc(NC(=O)[C@H](C)SCCC#N)c(Cl)c1 413010677 HFEFDURDUSPZBH-JTQLQIEISA-N 282.796 3.622 30 20 CHED C=C(C)CN(CC)Cc1ccc(OCC)c(OCC)c1 505897701 HXQITLUEPJGLOC-UHFFFAOYSA-N 277.408 3.882 30 20 CHED COc1cc(C#N)ccc1CN1C[C@@H](C)[C@H]1c1ccccc1 501211413 WAIDSSQBGJGWER-KUHUBIRLSA-N 292.382 3.760 30 20 CHED Cc1ccccc1[C@H]1CCN(c2cccc(F)c2C#N)C1 507028147 SCANVIJWDTVGIQ-AWEZNQCLSA-N 280.346 4.000 30 20 CHED Cn1ccc2cccc(NC(=O)Nc3ccc(C#N)cc3)c21 191000527 OJRNOWDGBXTUNS-UHFFFAOYSA-N 290.326 3.694 30 20 CHED CC(C)OC1CC(Sc2ccc(C#N)cc2F)C1 412997093 VCBWVCIVFWMLCN-UHFFFAOYSA-N 265.353 3.745 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1scnc1C 414535666 LXJNFVRHBWOWQS-OAHLLOKOSA-N 272.417 3.729 30 20 CHED C[C@@H](CCc1ccccc1)Nc1ncc(C#N)cc1F 413022590 FGYGKXLPKUEEEI-LBPRGKRZSA-N 269.323 3.526 30 20 CHED OC1=NCc2c(N/C(O)=N/C3CCC4(CC3)CC4)cccc21 329449028 OLTYBCRXOKICJH-UHFFFAOYSA-N 299.374 3.554 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N2CC[C@@H](C)C2)c1C1CC1 328949241 WLLVOCSBJFBSSJ-VXGBXAGGSA-N 290.411 3.619 30 20 CHED N#Cc1ccc(C2=CCN(Cc3cccc(F)c3)CC2)cc1 502526430 BFYHNLYJNZQRAN-UHFFFAOYSA-N 292.357 3.987 30 20 CHED C=CCN(CCC#N)Cc1ccc(C(C)(C)C)cc1 428866584 ZZTAQZVRSNDQGI-UHFFFAOYSA-N 256.393 3.886 30 20 CHED C=CCN(Cc1ccccc1F)C[C@@H]1CCC=CO1 193792552 HGPAHZAMGGUTPJ-HNNXBMFYSA-N 261.340 3.506 30 20 CHED CCCCCCCCCn1ccc(=O)c([N+](=O)[O-])c1 131181457 CAECARLAGKYZOB-UHFFFAOYSA-N 266.341 3.507 30 20 CHED C[C@@H](Cc1cccs1)Nc1cccc(F)c1C#N 88263792 PTPHPCLXOLZCGG-JTQLQIEISA-N 260.337 3.802 30 20 CHED C#C[C@@H](NCc1csc(-c2ccsc2)n1)C(C)C 289573303 SPWDEXBRBYXNOX-CYBMUJFWSA-N 276.430 3.619 30 20 CHED CC[C@H]1CC[C@@H](C(O)=Nc2cnc3c(c2)CCCC3)O1 329447049 LGKGENYIIDKPPS-ZFWWWQNUSA-N 274.364 3.506 30 20 CHED C[C@]1(C(O)=Nc2nc(-c3cccs3)cs2)CCOC1 329678055 QDJHYISNKHKNND-ZDUSSCGKSA-N 294.401 3.886 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1N/C(O)=N/CC[C@@H]1CCOC1 329757393 MXKBNJJXYZSGPO-KFWWJZLASA-N 296.455 3.522 30 20 CHED N#Cc1c(Cl)nsc1NCCCOc1ccccc1 48552780 VJXDJHMOKWXZHO-UHFFFAOYSA-N 293.779 3.549 30 20 CHED C=CCOCCCC(=O)NCc1ccc(C2CCC2)cc1 427219940 RHLHWTGGFHIRGD-UHFFFAOYSA-N 287.403 3.553 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OCC)c(F)c1 426571965 XKMRVCRWHAJUDT-AWEZNQCLSA-N 263.356 3.765 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccccc1C(F)F 425651130 UMIQTALDIJEGDN-CYBMUJFWSA-N 252.264 3.503 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1sccc1Cl 195337149 OMRPEORGSCLDTA-SNAWJCMRSA-N 280.780 3.648 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC12CCC(CC1)C2 339937507 GLZYHBOCVDBAIL-UHFFFAOYSA-N 283.375 3.569 30 20 CHED Cc1ncc(-c2ccc(N[C@H]3CC[C@H](C#N)C3)cc2)o1 336353064 PPGCXPUHZXXPHH-WFASDCNBSA-N 267.332 3.754 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCC(C)(C)CCC#N 195056676 HHHZSOFZKLJIEH-JKSUJKDBSA-N 285.387 3.972 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1 332310414 XFPVCDNFDKKKPC-IAOVAPTHSA-N 297.402 3.909 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 339950585 RKOKKNDOHHOCMO-AEGPPILISA-N 299.418 3.880 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc3c(c2)CCO3)no1 512295896 RYDJVRJIQBCVDU-UHFFFAOYSA-N 282.343 3.907 30 20 CHED CC[C@H](C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425115506 UFAJXKSKEPOEPZ-STQMWFEESA-N 258.365 3.514 30 20 CHED CCC[C@H](C)N(C)C(O)=Nc1cccnc1OC(C)C 330422775 SQTPJXNNASHWHQ-LBPRGKRZSA-N 279.384 3.535 30 20 CHED Cc1cc(NC2CCC(C)(C#N)CC2)cc(C(=N)O)c1 334679952 YLZDNNUVCVIJHS-UHFFFAOYSA-N 271.364 3.763 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ncc(C)o2)CCCC1(C)C 335819477 WTUIWLMXHWPXSH-GFCCVEGCSA-N 277.368 3.582 30 20 CHED CC(C)[C@H](C)N(C)Cc1ccc(Br)cc1C#N 383347256 NBCLHTYDAVXRSC-NSHDSACASA-N 295.224 3.797 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccncc1 90665166 WJUXFTAAYJVSLA-RHSMWYFYSA-N 265.360 3.777 30 20 CHED CCCOc1cc(C)ccc1CNc1cnccc1C#N 91737882 DPNXCCNHJJSZOW-UHFFFAOYSA-N 281.359 3.663 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cncs1 334922657 QQWIFZMYHVQMOY-IAQYHMDHSA-N 283.400 3.743 30 20 CHED CC#CCN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1O 436781437 JPUJZBQXEYUDPE-UHFFFAOYSA-N 287.403 3.734 30 20 CHED C=C[C@@](C)(CCOC)c1nc([C@H]2CCc3ccccc32)no1 346553582 ZLUJYYITKNMDFS-YJBOKZPZSA-N 298.386 3.628 30 20 CHED CCc1ccc([C@@H]2CCN(c3cc(C)nc(C#N)c3)C2)cc1 431492439 DCILRGPSPLHOCJ-QGZVFWFLSA-N 291.398 3.818 30 20 CHED C=CCC[C@H](NCc1ccc(OC(C)C)nc1)C1CC1 439077909 MNPXJEDUQFRUOR-INIZCTEOSA-N 274.408 3.703 30 20 CHED C=CCCN(C)Cc1coc(-c2ccc(F)c(F)c2)n1 342719432 JTGSRFHODJYCHA-UHFFFAOYSA-N 278.302 3.628 30 20 CHED C=CC[C@H](C)NC(=O)NCC1(c2cccc(Cl)c2)CC1 523518579 HVEAYQAHQLAVLE-LBPRGKRZSA-N 292.810 3.635 30 20 CHED N#CC1(CSc2nnc(-c3c[nH]c4ccccc34)o2)CC1 347013167 NDIOULUKGMXSOM-UHFFFAOYSA-N 296.355 3.614 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)CC1(CC#N)CC1 602764055 AEPQYPCIPBHZTM-UHFFFAOYSA-N 281.403 3.710 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccsc1 342257160 ATLPBOCRGUSKGH-UHFFFAOYSA-N 275.348 3.716 30 20 CHED C=CCC1(c2nc(-c3ncccc3SC)no2)CCC1 347157391 ZLPUEZYPMLIYTG-UHFFFAOYSA-N 287.388 3.851 30 20 CHED C=CCC(C)(C)CNC(=O)NCCCc1ccccc1 432106578 IJDMMSODLVLSQC-UHFFFAOYSA-N 274.408 3.521 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCCOC1CCCC1 255772366 MBYYBGOQKSRNJO-UYRXBGFRSA-N 298.386 3.709 30 20 CHED Cc1cncc(C/N=C\c2c(O)ccc3ccccc23)c1 255512866 ZLLYZAAOHDASRG-NDENLUEZSA-N 276.339 3.868 30 20 CHED N#CC1(NC(=O)c2cc3c(Cl)cccc3s2)CCC1 604535034 QRXMOLXIMPNQNH-UHFFFAOYSA-N 290.775 3.731 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc2c3c(cccc13)CC2 524195351 ZTVDLWJQPNSYRD-GFCCVEGCSA-N 265.356 3.633 30 20 CHED N#CC1CCC(CNC(=O)Nc2ccc3occc3c2)CC1 529278071 HBGSDVIRPOKBCG-UHFFFAOYSA-N 297.358 3.884 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2ccc(F)c(C#N)c2)C1 609102544 IGPCAFIXVIBASK-RYUDHWBXSA-N 274.339 3.852 30 20 CHED C[C@H]1CCN(CC2(CC#N)CC2)[C@@H](c2ccco2)C1 602783636 PRLJXJJNIJNCMG-UONOGXRCSA-N 258.365 3.746 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2c(Cl)cccc2Cl)C1 442722373 VFVJNXWIUBCRFD-MNOVXSKESA-N 283.202 3.818 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1cccc(O)c1 255373752 NHCYKYUXYCALLW-FPLPWBNLSA-N 290.265 3.890 30 20 CHED C=CCN(C(=O)Nc1cccc(-n2cccc2)c1)C1CC1 357865478 IITSZZURFAFGIG-UHFFFAOYSA-N 281.359 3.660 30 20 CHED COc1cccc(C=Nc2ccc(F)cc2C)c1O 254409788 RZLASFGZWCBIPK-UHFFFAOYSA-N 259.280 3.599 30 20 CHED CCn1cc(/C=C\C(=O)c2coc3ccccc23)cn1 255573125 XIOOUHHYBHVOCT-FPLPWBNLSA-N 266.300 3.545 30 20 CHED C=C(CC)CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 539104598 MYLANCORYKEQKI-OAHLLOKOSA-N 283.774 3.819 30 20 CHED N#Cc1ccncc1NCC1(c2ccccc2Cl)CC1 354874937 IHVOZTLMOQANCQ-UHFFFAOYSA-N 283.762 3.750 30 20 CHED C=CCC[C@@H](NC(=O)NC1(C2CC2)CC1)c1ccccc1 533400384 PJOTYVUYCSNXAM-MRXNPFEDSA-N 284.403 3.936 30 20 CHED Cc1cccc(OCCN(C)[C@@H](C)c2ccc(C#N)cc2)c1 533241748 LQVMLVIBVIVWMK-INIZCTEOSA-N 294.398 3.939 30 20 CHED CO[C@@H](c1ccccc1)[C@H](C)Nc1ccc(CC#N)cc1 602613774 QAPBSMWZUNPADD-KBXCAEBGSA-N 280.371 3.941 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)CCC1 359407721 AIJUPGPJBBGLOD-CABCVRRESA-N 291.435 3.587 30 20 CHED COc1ccccc1Oc1ccc(NC(=O)[C@H](C)C#N)cc1 357845704 ZLXYINAQRYARNM-GFCCVEGCSA-N 296.326 3.586 30 20 CHED CCN(C(=O)C1CC(F)(F)C1)[C@H](C)c1ccc(C#N)cc1 440570151 HAKIXEQVORFXSE-LLVKDONJSA-N 292.329 3.513 30 20 CHED CCN(CCc1cccs1)C[C@H](C)CCC#N 602448176 NJMNTEFZZDXQAY-CYBMUJFWSA-N 250.411 3.552 30 20 CHED C[C@H](Cc1ccc(F)cc1Cl)NCC1(C#N)CCC1 602697119 VHJSBISWDBKXDD-LLVKDONJSA-N 280.774 3.694 30 20 CHED C[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1C 356201893 IXXFLILKVXJDBF-INMHGKMJSA-N 284.403 3.721 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCCC2(CCOCC2)C1 266037723 UYCFIIBHUHQJQW-HNNXBMFYSA-N 284.403 3.512 30 20 CHED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CCC#N 357555626 SYCVHGBVODEZEV-VIFPVBQESA-N 269.175 3.826 30 20 CHED Cc1c(CNCc2cc(C#N)cs2)n(C)c2ccccc12 355141261 ZKOCDELWGKJHDJ-UHFFFAOYSA-N 295.411 3.710 30 20 CHED CCCCCSCCOc1ccc(C#N)cc1OC 610137279 QUWFPAFTNLGLEB-UHFFFAOYSA-N 279.405 3.869 30 20 CHED C=CCCC1(C(=O)N[C@@H](CC)c2nc(C)cs2)CC1 355664300 SOMXAGXBYPXZCI-LBPRGKRZSA-N 278.421 3.765 30 20 CHED C[C@@H](C#N)CN(C)Cc1cnc(-c2ccccc2F)s1 449017423 PTXLZQLXJQJVDZ-NSHDSACASA-N 289.379 3.541 30 20 CHED COC[C@H](CC(C)C)N[C@@H](CCC#N)c1ccccc1 358330502 QIGDVAVKRAPQLY-IRXDYDNUSA-N 274.408 3.682 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cc2c(C)cc(C)cc2[nH]1 449546577 CKYDINWPBXZPAQ-AEFFLSMTSA-N 284.403 3.608 30 20 CHED C=CCC1(CN[C@@H]2CCCc3c2cnn3C)CCCC1 453357334 IOWDXOWISAHCJZ-OAHLLOKOSA-N 273.424 3.524 30 20 CHED CC1(C)CC(CN[C@@H]2CCCc3cc(C#N)ccc32)C1 615093581 HESOLYOTLNSKQI-QGZVFWFLSA-N 268.404 3.961 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CC12CCC2 610740154 WNYMJYVKEOLBOK-CYBMUJFWSA-N 283.375 3.509 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1ccc(C#N)s1 362965394 BLPGGMFTNLFRTF-UHFFFAOYSA-N 284.384 3.591 30 20 CHED N#CC1(C(=O)Nc2cccc(Oc3ccccn3)c2)CCC1 362493857 ASAYZKINJXIEOW-UHFFFAOYSA-N 293.326 3.506 30 20 CHED C=CCN(C(=O)c1cc2c([nH]1)CCCC2)c1ccccc1 615001281 CYVIZDKVAMOUCA-UHFFFAOYSA-N 280.371 3.726 30 20 CHED CCC(CC)n1nccc1C(=O)Nc1cc(C)cc(C#N)c1 456963513 KNSDHGBFSLDDBE-UHFFFAOYSA-N 296.374 3.677 30 20 CHED C=CCC[C@@H](NCC(C)(C)C(C)(C)O)c1ccco1 453373437 SPKLPGVGGTUMBU-CYBMUJFWSA-N 265.397 3.674 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 278582091 SBPZFNBKECEVLU-CQSZACIVSA-N 282.387 3.862 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]2CCO)c(C(F)(F)F)c1 274995054 FJBVBZBWIAXWPC-DGCLKSJQSA-N 298.308 3.540 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C)cc1C)OCC 270151454 VWHSBNZWDJFSHL-HNNXBMFYSA-N 261.365 3.613 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1sc(C(C)(C)C)nc1C 453376713 YCLJVOGDZFZPOV-RTXFEEFZSA-N 294.464 3.743 30 20 CHED C=C(CC)CNC(=O)N(C)C/C(C)=C/c1ccccc1 455520472 JIGSHTZBLBKAMK-RVDMUPIBSA-N 272.392 3.698 30 20 CHED C=C(CC)CN1CCC(c2cccc(OC)c2)CC1 548403651 YZLGVIRZXXFSJQ-UHFFFAOYSA-N 259.393 3.841 30 20 CHED Cc1ccccc1C1CC(NCC(C)(C)CC#N)C1 459659975 ALRVWWZHZBJKAJ-UHFFFAOYSA-N 256.393 3.771 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C(=O)C(C)C)cc1 455828629 WUMFZXHCMFHEFM-GFCCVEGCSA-N 274.364 3.611 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC2CCC2)c(F)c1 454911255 FBDNCXRNRSDRIQ-UHFFFAOYSA-N 292.354 3.845 30 20 CHED C#CC[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 271524838 OXNWUKHRIDVWTP-PBHICJAKSA-N 293.366 3.831 30 20 CHED CCOc1ccc(NC(=O)CC(C)(C)C#N)cc1Cl 278249012 MDTXRMGDGXKXTD-UHFFFAOYSA-N 280.755 3.617 30 20 CHED C=CCCC(=O)N1CCC(Cc2cccc(F)c2F)CC1 456811166 OTLYFEXYPWAIPS-UHFFFAOYSA-N 293.357 3.712 30 20 CHED COC1(C)CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 271747914 XVKPCOXNYNRYAJ-UHFFFAOYSA-N 298.308 3.582 30 20 CHED C=CC(C)(C)c1nc(-c2cc(C)c(O)c(C)c2)no1 453169618 CNRKAOJVKPLWQI-UHFFFAOYSA-N 258.321 3.523 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1OC(F)F 274628849 OGXDWIIEYJWLEO-TUAOUCFPSA-N 280.318 3.631 30 20 CHED Cc1ccc(C[S@](=O)CCCCC(C)(C)C#N)cc1 277800006 HYFXRHLSPCCZKH-LJQANCHMSA-N 277.433 3.964 30 20 CHED C=CCCN(C)C(=O)c1cc(F)c(Cl)cc1Cl 276019307 ANFVGPOBIYUUBU-UHFFFAOYSA-N 276.138 3.781 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cc(F)ccc2C)no1 273891248 VXBBKXQNZWEYLA-NSHDSACASA-N 276.311 3.838 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1nc(C2CCC2)cs1)OCC 277766058 SFGVDXYLMZHUJZ-CYBMUJFWSA-N 294.420 3.720 30 20 CHED Cc1cc(NC(=O)Cc2cccc(C#N)c2)ccc1C1CC1 548143577 UXHUEASXURMUNB-UHFFFAOYSA-N 290.366 3.925 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 462124785 WNRHUCVFBMEMPM-ZJIFWQFVSA-N 265.441 3.915 30 20 CHED C=C[C@H](C)NC(=O)c1cc(CC)c(CCC)s1 465112382 OAYFUIOCBFTBLJ-JTQLQIEISA-N 251.395 3.567 30 20 CHED CC[C@](C)(C#N)C(=O)NCC(C)(C)c1cccc(Cl)c1 285248060 RSTMOYBPFYQRBM-MRXNPFEDSA-N 292.810 3.674 30 20 CHED CCN(CC)c1ccc(/C=N/[C@H](C)C(F)(F)F)c(O)c1 287015075 FZPSARNAHOLRSE-SVXRXWARSA-N 288.313 3.608 30 20 CHED CC[C@@H]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 462126904 PMSMKDPLIYUCFE-HUUCEWRRSA-N 284.403 3.700 30 20 CHED C=CCC[C@H](NC[C@H](O)c1ccccc1F)c1ccco1 285916383 DMTLMUYDWYRFDS-HOTGVXAUSA-N 289.350 3.749 30 20 CHED C=CCC(C)(C)c1noc(Cc2c(CC)noc2CC)n1 551138520 ZCPYMZGQGJFSFH-UHFFFAOYSA-N 289.379 3.627 30 20 CHED CC[C@@H](NCCCc1cccc(C)n1)c1ccc(C#N)cc1 287529378 OXBIORQRKBLPQX-LJQANCHMSA-N 293.414 3.935 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CC3CCC2CC3)cc1 552164700 JKVAXTHWIPDYAE-MUDYYLEHSA-N 296.414 3.756 30 20 CHED Cc1nc(N(C)C(C2CC2)C2CC2)c(Cl)cc1C#N 461783129 BMDIAFUMECUYEO-UHFFFAOYSA-N 275.783 3.540 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 469155723 WZNQYHVNPDRJEQ-GHMZBOCLSA-N 276.767 3.976 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(Cc2c(F)cccc2C#N)n1 558325925 LTGHLTOPAWQBQF-DGCLKSJQSA-N 299.349 3.965 30 20 CHED C=CCOc1ccc(OCCOc2cccc(F)c2)cc1 462670351 QCXKNQYBHQYCDL-UHFFFAOYSA-N 288.318 3.848 30 20 CHED CC1=C(C)CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 281046087 OHUVBLOHSMWEHM-AWEZNQCLSA-N 299.374 3.551 30 20 CHED C=C(C)COCCNC(=O)Nc1ccc(CCCC)cc1 474557403 HQQWRYHKHQSVNS-UHFFFAOYSA-N 290.407 3.743 30 20 CHED N#Cc1cccc(NCCCCc2ccc(F)c(F)c2)n1 475728521 TWRSRFXQIJRTPV-UHFFFAOYSA-N 287.313 3.666 30 20 CHED CCCNc1ccc(C#N)cc1NCC1CC(F)(F)C1 297504955 CFTRUEJOCYGXSX-UHFFFAOYSA-N 279.334 3.837 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 474897458 SYKDGPAFHQRJTB-FVCCEPFGSA-N 299.867 3.668 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(CCC#N)CCC(C)C 475669642 VJOSTVZXIWVRBR-HZPDHXFCSA-N 278.440 3.991 30 20 CHED C=C[C@@H](Nc1cccc(Oc2ccccc2)c1)C(=O)OC 385250360 NSECZWSSAOCBEJ-MRXNPFEDSA-N 283.327 3.618 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(F)cc2)no1 564209684 CNVVHFVNACZKQA-HNNXBMFYSA-N 260.312 3.653 30 20 CHED C[C@@H]1/C(=C\c2ccc(C#N)cc2)C(=O)c2ccccc21 809159795 WYOSWAWQAKUTTK-VAKHEIKFSA-N 259.308 3.942 30 20 CHED C#Cc1ccc(CNC[C@H](OCC)c2ccccc2)cc1 809655218 FCENZRWFPQKZOA-IBGZPJMESA-N 279.383 3.535 30 20 CHED C[C@H]1CC(N[C@@H]2CCc3ccc(C#N)cc32)C[C@H](C)C1 568569288 LPRVLCPMAPSKDR-SNUQEOBHSA-N 268.404 3.960 30 20 CHED CN(CC(C)(C)CCC#N)[C@@H](CO)c1ccc(Cl)cc1 295102664 TVWSYECGEUCSFU-HNNXBMFYSA-N 294.826 3.635 30 20 CHED C=C(C)[C@H](NCCC1CCOCC1)c1ccc(F)c(F)c1 292944441 NRCZAEOATOQRNA-KRWDZBQOSA-N 295.373 3.988 30 20 CHED C=CC1CCN(Cc2c(C(=O)O)oc3ccccc23)CC1 568061070 YDJINWPAMOGZAF-UHFFFAOYSA-N 285.343 3.529 30 20 CHED CC(C)(CCC#N)CN1CC(C)(C)[C@H]1c1ccncc1 293996997 SMMPOVVPZLWMQS-OAHLLOKOSA-N 271.408 3.794 30 20 CHED C[C@H]1CCC[C@@H](C)CN1c1nc(Cl)c(C#N)s1 804502988 DDJLUZQOJXRXCJ-BDAKNGLRSA-N 269.801 3.683 30 20 CHED C=CCN(CC=C)C(=O)c1cc2ccccc2cc1OC 641953322 HVKYVGUAEBUXDV-UHFFFAOYSA-N 281.355 3.663 30 20 CHED CCC[C@H](OC)c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 562845607 SXZKKFJHXZGJSU-ZNMIVQPWSA-N 297.358 3.700 30 20 CHED N#CCCCC(=O)NCCCCc1ccc(Cl)s1 291885145 JMIYIGBWRXBLMJ-UHFFFAOYSA-N 284.812 3.534 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1nc(Cl)c(C#N)s1 804613885 PHFGDPHVCQBXOC-YFKPBYRVSA-N 283.706 3.811 30 20 CHED C[C@@H](NC(=O)c1sccc1C#N)c1cccc(C2CC2)c1 560325865 JBENQPUQDOHDKR-LLVKDONJSA-N 296.395 3.988 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CSc1ccc(C)cc1C 485462850 FYCLOFAWNDIDTO-AWEZNQCLSA-N 290.432 3.546 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cccc(C(C)(C)C)c1 565493557 ZODVOSCXRWOEHU-UHFFFAOYSA-N 272.392 3.606 30 20 CHED C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](C)C1 564103813 OIJYQTSYFNRUSX-CQSZACIVSA-N 296.418 3.676 30 20 CHED CC(C)n1cccc1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 647378629 MJPMYYIKAIDAIG-LBPRGKRZSA-N 299.399 3.893 30 20 CHED COc1ccc(F)cc1/C=C1/Cc2ccc(C)cc2C1=O 812243212 GSPWZBDBUDFENE-ZROIWOOFSA-N 282.314 3.965 30 20 CHED C=CCC(C)(C)C(=O)O[C@H]1CCOc2cccc(C)c21 814033413 WTHJKSWQMAQBMR-AWEZNQCLSA-N 274.360 3.964 30 20 CHED C=CCCCS(=O)(=O)N(CC1CCC1)c1ccccc1 489587836 RHZBKZGYERRFSN-UHFFFAOYSA-N 293.432 3.589 30 20 CHED Cc1ccc2nc(C(=O)Oc3ccc(C#N)cc3)ccc2c1 815900452 CUEDHPVDVIGAOC-UHFFFAOYSA-N 288.306 3.634 30 20 CHED CCOc1ccc(C(C)=NOCCC2CC2)cc1[N+](=O)[O-] 814247081 PROIWPZUZQYNGW-UHFFFAOYSA-N 292.335 3.534 30 20 CHED CCOc1ccccc1[C@@H](CC)NCc1ccc(C#N)cn1 567176794 PQEQGJWVPVBEJS-QGZVFWFLSA-N 295.386 3.593 30 20 CHED N#CCC1(OC(=O)[C@@H]2CCc3c(Cl)cccc32)CCC1 810859014 AFIIXLOZEBLBKT-CYBMUJFWSA-N 289.762 3.749 30 20 CHED Fc1cc(F)c(NN=Cc2cccnc2Cl)cc1F 814850972 BZLWFCGMCNRKLG-UHFFFAOYSA-N 285.656 3.598 30 20 CHED CC(C)c1cccc(CNC[C@H](O)c2ccc(C#N)cc2)c1 819241328 OIYKRZAVKBKDOY-IBGZPJMESA-N 294.398 3.505 30 20 CHED C=C[C@H](CC(=O)OCCc1cncs1)c1ccccc1 811124172 YPYSLMYHDBCXJU-CYBMUJFWSA-N 287.384 3.589 30 20 CHED Cc1csc(NC(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1C#N 576834739 QKMXDCSIQKMTCC-MWLCHTKSSA-N 277.393 3.581 30 20 CHED Cc1cc(F)c(/C=C\C(=O)c2c(C)nn(C)c2C)c(F)c1 819010749 LGSHAVUKANYNDB-WAYWQWQTSA-N 290.313 3.520 30 20 CHED CCc1nc(C)c(C(C)=NOC/C=C/Cl)s1 811668125 BLJYFNVGNJPUMX-OOLRQUSPSA-N 258.774 3.507 30 20 CHED CCC(=NNc1ccccc1F)c1cccc(N)c1 814790778 YNVJFDNRFCARDW-UHFFFAOYSA-N 257.312 3.634 30 20 CHED FC(F)(F)c1cscc1C=NNCC1CCCC1 811650195 ONZRTALZKSTCFP-UHFFFAOYSA-N 276.327 3.881 30 20 CHED N#CCCn1cc(C=NOC/C=C\Cl)c2ccccc21 811670561 VKTRNRQDKLSBBO-SQELGJJDSA-N 287.750 3.658 30 20 CHED CC(=NNC1CCCC1)c1cccc(OC(F)F)c1 727652237 LKZJNDCUAVNPCO-UHFFFAOYSA-N 268.307 3.544 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CC[C@@H](CC)C1 579027768 WPAZFIIMNITSRT-CQSZACIVSA-N 288.439 3.748 30 20 CHED CC(=O)Nc1ccc(/C=C2/CCc3sccc3C2=O)cc1 726891771 JPHKXEOYJQGQKN-RAXLEYEMSA-N 297.379 3.919 30 20 CHED C=CCCCCCCCNC(=O)N1CCSC[C@@H]1C 811927444 QFHDQBMXRYOKNY-AWEZNQCLSA-N 284.469 3.660 30 20 CHED C[C@H](SCC1(C)CCCCC1)C(=O)NC1(C#N)CCC1 574639686 RJAUUMIPBXGZRL-ZDUSSCGKSA-N 294.464 3.641 30 20 CHED Cn1ncc2ccc(C/N=C\c3cc(Cl)ccc3O)cc21 812445352 VMSXSYVQAWMSEI-NVMNQCDNSA-N 299.761 3.551 30 20 CHED Fc1ccc(/C=C\C=NOC/C=C\Cl)c(F)c1 811672347 WZLHCAFCLVTATL-DAGHLHJISA-N 257.667 3.733 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1CSC 489948946 BBGILJXZKUHNAJ-UHFFFAOYSA-N 286.400 3.789 30 20 CHED C=CCn1c(-c2ccc(C)o2)nnc1N(C)c1ccccc1 576743188 MKIBIEHVPGXJNX-UHFFFAOYSA-N 294.358 3.800 30 20 CHED N#C[C@H](NC(=O)C1CC2(CCC2)C1)c1ccc(Cl)cc1 577223183 YTDUKJOSLHXRNL-AWEZNQCLSA-N 288.778 3.601 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1c1ccc(C)o1 488977105 LBLMQUGSVJBHQI-AWEZNQCLSA-N 284.359 3.553 30 20 CHED CC[C@@H]1C[C@H](C)CN1c1ncc(Cl)c(C)c1C#N 572319389 STUNZUAHILLEDR-GXSJLCMTSA-N 263.772 3.540 30 20 CHED C=CCCCNCc1cn(-c2ccc(C)cc2)nc1C 655768454 DOOPWKCYNGSEIB-UHFFFAOYSA-N 269.392 3.545 30 20 CHED CC(CSC(C)(C)C)=NNCCCOc1ccccc1 729637320 YQADGLXLKQJGED-UHFFFAOYSA-N 294.464 3.953 30 20 CHED C#CCCOc1ccc(C(=O)N(C2CC2)[C@H](C)C(C)C)cc1 822747621 MYNHKSHYZQQTDI-OAHLLOKOSA-N 299.414 3.738 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnc(Cl)s1 823616956 DWCKQUOUOPCESV-JTQLQIEISA-N 291.807 3.861 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C2CCCC2)C1 572711480 IASSCGALEWFVJE-INIZCTEOSA-N 297.402 3.911 30 20 CHED N#Cc1cc(F)ccc1COC(=O)/C=C\c1ccccc1F 728617635 MILSSDAIBUUPOP-VURMDHGXSA-N 299.276 3.593 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccccc1 580623775 GZPHPTNKGKCYRG-KDOFPFPSSA-N 284.403 3.769 30 20 CHED C#Cc1cccc(N(C(=O)CCCCC)C(C)C)c1 728247608 ABGZUCQGMVEHNH-UHFFFAOYSA-N 257.377 3.990 30 20 CHED C=CC[C@H]1CCCN(Cc2csc(-c3ccccn3)n2)C1 661379102 SVBXLHOGLGSZGA-AWEZNQCLSA-N 299.443 3.993 30 20 CHED Oc1ccccc1/C=N\Cc1ccc2ncccc2c1 588614990 KGVIQRGWIRWCFU-PDGQHHTCSA-N 262.312 3.560 30 20 CHED CC(C)CN(C(=O)OCC1CC1)c1ccc(C#N)cc1 496722312 QZXXWGCFTINNQR-UHFFFAOYSA-N 272.348 3.567 30 20 CHED C=CCN(C(C)C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586141488 GFENYASVTCNVDK-UHFFFAOYSA-N 295.448 3.569 30 20 CHED C=CCCC[C@H](N[C@H](C)[C@@H]1C[C@@H]1C(=O)O)c1ccccc1 902327689 LYJVNTOYIHYFRR-IWCQGFGOSA-N 287.403 3.783 30 20 CHED CC[C@@H](NCC[C@H]1CCCCO1)c1cccc(C#N)c1 902944299 FFLWIGKKISWVTR-IAGOWNOFSA-N 272.392 3.558 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(F)ccc1Cl 497943595 GQUSJFOZGYCAGJ-JTQLQIEISA-N 269.747 3.954 30 20 CHED Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(F)c(C#N)c1 904796679 OBRVEFMYUQYIGN-UHFFFAOYSA-N 297.255 3.740 30 20 CHED COCCOc1ccc(-c2csc(CC#N)c2)cc1 904753729 YSDNPHYELALMLW-UHFFFAOYSA-N 273.357 3.506 30 20 CHED N#Cc1cccc(C(=O)N(c2ccccc2)C2CCCC2)n1 589773758 UQRFGXWNKTTWMZ-UHFFFAOYSA-N 291.354 3.543 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC)[C@@H](C)Cc1ccsc1 820653853 BJSWAFXTWLRNFX-ZFWWWQNUSA-N 292.448 3.513 30 20 CHED C[C@@H](CCNC(=O)CCCCCC#N)c1ccccc1 588155595 RDIDAAUIPSOYDZ-HNNXBMFYSA-N 272.392 3.770 30 20 CHED CC(C)CN(CCC#N)Cc1cccc(OC(F)F)c1 739914918 SOJCTBNGJKWGTI-UHFFFAOYSA-N 282.334 3.660 30 20 CHED N#CCCCOC(=O)C1(Cc2cccc(Cl)c2)CC1 835265051 NANRPENTKQBQAL-UHFFFAOYSA-N 277.751 3.510 30 20 CHED C=C[C@@H](CC)Cc1nc(C2(c3ccncc3)CCC2)no1 904102063 GUJCJRRSLRMXCE-ZDUSSCGKSA-N 283.375 3.689 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)cn1 730748219 MWZHWNUEHVMRDJ-LSDHHAIUSA-N 299.418 3.536 30 20 CHED C#CCOc1ccccc1CNC(=O)CCCC(C)(C)C 734102431 CSEDYVLGGDSULS-UHFFFAOYSA-N 287.403 3.531 30 20 CHED C=CCCSCCNC(=O)[C@](C)(CC)CCC 597971394 YJMLTPCCUVXDAY-CQSZACIVSA-N 257.443 3.628 30 20 CHED C=CC[C@H](C(=O)OC[C@@H](C)SC)c1ccccc1 835683773 BDNGRTQLKILRFH-OCCSQVGLSA-N 264.390 3.641 30 20 CHED C[C@](C#N)(NC(=O)c1cccc2cc[nH]c12)C1CCCCC1 582479064 KNTPEVQKLRQQBK-GOSISDBHSA-N 295.386 3.760 30 20 CHED COCOc1ccc(C#N)cc1-c1ccccc1OC(C)C 904882835 WMPBDRCZFLYUCI-UHFFFAOYSA-N 297.354 3.995 30 20 CHED O=C(/C=C\c1ccc(C2CC2)cc1)c1cc2n(n1)CCC2 901561978 YILVTCSNCQAIFZ-YHYXMXQVSA-N 278.355 3.603 30 20 CHED C#CCC[C@@H](C)OC(=O)C[C@@H](C)c1ccccc1OC 839041711 XKWIGOSFEHEQJL-ZIAGYGMSSA-N 274.360 3.534 30 20 CHED N#Cc1cccc(NC(=O)C2CC(c3ccc(F)cc3)C2)c1 589981439 SXKZWWDKJFDBCF-UHFFFAOYSA-N 294.329 3.830 30 20 CHED C[C@@]1(C(=O)OC[C@@H](C#N)Cc2cccs2)CC=CCC1 835261817 XZWFBUSYKJKXBZ-CZUORRHYSA-N 289.400 3.720 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2ccc(C#N)c(Cl)n2)C1 839442444 RAFUWKCEEPJTNB-LLVKDONJSA-N 292.766 3.732 30 20 CHED CO[C@@H]1CC(=NNc2nc3ccccc3s2)C12CCC2 834914705 RWLMLXYJFRQNPB-CYBMUJFWSA-N 287.388 3.653 30 20 CHED O=C(NO)c1oc2cc(Cl)ccc2c1-c1ccccc1 671997760 LQWZXNTYFSTZLD-UHFFFAOYSA-N 287.702 3.872 30 20 CHED C#CCOc1cccc(OC(=O)c2ccccc2SC)c1 730497573 HXIQJQITRYSHQL-UHFFFAOYSA-N 298.363 3.640 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2sccc2C)cc1 834893222 UFBKZEVUAAFDEG-CQSZACIVSA-N 285.412 3.919 30 20 CHED CC[C@H](C)[C@H](C=NNc1nccc2sccc12)OC 834940728 CJVFKQMGQNQMLE-JQWIXIFHSA-N 277.393 3.755 30 20 CHED C=CC(C)(C)C(=O)N(C)c1ccc(C)c(Cl)c1 839282040 TZRPOGXFOLAKIK-UHFFFAOYSA-N 251.757 3.823 30 20 CHED COc1ccc2[nH]c(NC(=O)CCCCCC#N)cc2c1 597556074 ULLCKGJLBPLNAT-UHFFFAOYSA-N 285.347 3.589 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 834574768 SSIWWUCETZKKJF-JTQLQIEISA-N 284.186 3.830 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1oc(C(C)C)nc1C 839350523 FPHJSPJRTLDMJD-UHFFFAOYSA-N 298.342 3.760 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c[nH]nc1-c1cccnc1 743450757 PSXZDLLVMQEOCR-CQSZACIVSA-N 299.422 3.754 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(C2CC2)[C@@H](C)C#N)cc1 598128479 MBSKVKKUFONTPU-KBPBESRZSA-N 284.403 3.646 30 20 CHED COc1ccc(C(C)=NNc2ccc(Cl)nc2)c(F)c1 743450153 MJTYOXIBNMSQOC-UHFFFAOYSA-N 293.729 3.719 30 20 CHED CC(C)Cc1ccc(CC(=O)N2CCC[C@@H](CC#N)C2)cc1 597916754 QGMUMTDWINYEFW-SFHVURJKSA-N 298.430 3.580 30 20 CHED N#C[C@@H]1CCC[C@H](NCC2(c3ccccc3F)CCC2)C1 593642904 RAYDWOHNOOBHFW-CABCVRRESA-N 286.394 3.919 30 20 CHED C=CCC1(C(=O)NCC2(SCC)CC2)CCCC1 598336237 FMPSRKHHFDKWHJ-UHFFFAOYSA-N 267.438 3.525 30 20 CHED C[C@H]1CCCCC1=NNCc1cccc2cccnc12 915958989 CJXZZICIDDSXFG-ZDUSSCGKSA-N 267.376 3.891 30 20 CHED CC(C)c1ccc(C=NNc2ccccn2)cc1[N+](=O)[O-] 916273627 OGPPFTWCLSUYNX-UHFFFAOYSA-N 284.319 3.559 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)CCc1cccc(F)c1 745583725 NEVANBDSLIRJSR-JTQLQIEISA-N 270.731 3.690 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)nc1)C2 749006120 RMZPWXAOZLMZEM-NTUHNPAUSA-N 269.731 3.866 30 20 CHED CC(C)c1ccc(OCC/N=C\c2cccc(O)c2O)cc1 915981366 AKUCKHSITGGGML-UNOMPAQXSA-N 299.370 3.719 30 20 CHED CSc1ccc(CCCC(=O)OC2(C#N)CCC2)cc1 842732789 WUVHDCZOBZPMCI-UHFFFAOYSA-N 289.400 3.721 30 20 CHED CCCCCCC[C@@H](C)CNc1ccc2nnc(C)n2n1 917523826 XGERSEYWWVPXEP-CYBMUJFWSA-N 289.427 3.841 30 20 CHED CCOC(=O)c1cncc(-c2ccc([C@H](C#N)CC)cc2)c1 596637817 DPOGHRYKVBFXDJ-ZDUSSCGKSA-N 294.354 3.942 30 20 CHED C#CC1CCN(C(=O)C[C@H](C)c2c[nH]c3ccccc23)CC1 843700599 MZIFEUMQSFBCLJ-AWEZNQCLSA-N 294.398 3.533 30 20 CHED C[C@@H]1CCCN(C(=O)c2ccccc2SCC#N)CC1 745155540 VRHUZZDMBQKVIZ-CYBMUJFWSA-N 288.416 3.564 30 20 CHED C=CCN(C(=O)c1ccccc1C(F)(F)F)C(C)C 914683817 ZMIRUSMWMZKHAV-UHFFFAOYSA-N 271.282 3.742 30 20 CHED C=C(CC)CNC(=S)Nc1ccc(Br)cc1 840826228 INQBHNPFEDFDSB-UHFFFAOYSA-N 299.237 3.702 30 20 CHED C=CC1CCN(C(=O)c2ccc(OCCCC)cc2)CC1 599680800 OWPXPQQVTWKHGA-UHFFFAOYSA-N 287.403 3.904 30 20 CHED CCN(Cc1cc(-c2ccccc2Cl)on1)[C@H](C)C#N 595821213 ZVKNSXYMGZDRGN-LLVKDONJSA-N 289.766 3.729 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(F)c(F)c1 917546046 FXWWQGKHKKQDKQ-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc2cnccc2n1 840598336 MGPKGJWRJWVABA-UHFFFAOYSA-N 297.358 3.507 30 20 CHED C=C[C@@H](C)ONC(=O)N(C1CCC(CC)CC1)C1CC1 845627642 HUGWOJFRDSJYPJ-IYXRBSQSSA-N 280.412 3.635 30 20 CHED CC[C@@H](CNc1nc(C#N)ccc1C)CC(F)(F)F 596270020 AYFJMMHWPBTKMR-SNVBAGLBSA-N 271.286 3.652 30 20 CHED Fc1ccc([C@H]2CCCC2=NNC2CCCC2)cc1 741164723 XMHWKKQITTYEFY-OAHLLOKOSA-N 260.356 3.981 30 20 CHED Cc1nnc(SCCCC2CCC2)c(C#N)c1C 594892121 YGHUCFKLWOKEOD-UHFFFAOYSA-N 261.394 3.638 30 20 CHED C=C(C)CN(CC)C(=O)COc1c(C)cc(Cl)cc1C 849368010 NHSUOMWABUMFHY-UHFFFAOYSA-N 295.810 3.760 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cccc([N+](=O)[O-])c1 924798381 NKJIWRKNYKLNJJ-RYUDHWBXSA-N 275.352 3.574 30 20 CHED CC1(C)CC(=NNc2ccccn2)c2ccccc21 920365135 NPSPMUJSIIDNBH-UHFFFAOYSA-N 251.333 3.579 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCCc2cc(C#N)ccc21 926603096 SZOSSZLITNRIEC-DYVFJYSZSA-N 281.403 3.854 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1cccs1)C1CC1 929905522 KBSILMUZDTWZHI-LBPRGKRZSA-N 263.406 3.841 30 20 CHED C(=NO[C@@H]1CCCCO1)c1nc(-c2ccccc2)cs1 755823653 REQXGEJITVRQNZ-OAHLLOKOSA-N 288.372 3.687 30 20 CHED COc1cccc2c1C/C(=C/c1c[nH]nc1C(C)(C)C)C2=O 759665812 QPAYEAHSDZOOOL-FLIBITNWSA-N 296.370 3.538 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)C1CCCC1)c1ccccc1 757575272 BKQRODLWAMGGON-YOEHRIQHSA-N 269.388 3.694 30 20 CHED Cc1ccc(CC(=O)OCc2ccccc2C(C)(C)C#N)o1 754338737 IRQSCDRLXJWFCE-UHFFFAOYSA-N 297.354 3.675 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 851206557 UNBMSDISFAWISR-UHOFOFEASA-N 296.370 3.533 30 20 CHED Cc1csc(C=NNc2cccc(Cl)c2)n1 755471741 LOIGOEOBHSDZJW-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2N)C1 852904524 LJSFHUFKSAKISW-CQSZACIVSA-N 294.398 3.850 30 20 CHED C#CC[C@@H](NC(=O)NC[C@@H](C)C(C)(C)C)c1ccccc1 757030711 NJRDHULTQBPBFP-GDBMZVCRSA-N 286.419 3.732 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)s1)c1cc(F)cc(F)c1 755391450 CZVBRGMCWHZOFM-QMMMGPOBSA-N 293.294 3.816 30 20 CHED Fc1cccc(NN=Cc2cnc([C@H]3CCCO3)s2)c1 755663288 VGGRQVKBFXMLLI-CYBMUJFWSA-N 291.351 3.580 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(C2SCCCS2)cc1 757006241 CCJWHKHIZRZMEP-NSHDSACASA-N 293.457 3.860 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)c1ccccc1 851206087 LOWMJFFKZHKLIM-STQMWFEESA-N 259.349 3.662 30 20 CHED C=CCN(C(=O)Nc1ccc2c(c1)C(=O)CCC2)C(C)C 750627586 OUVIWYDIXFREGD-UHFFFAOYSA-N 286.375 3.634 30 20 CHED C#CC[C@@H](NC(=O)N(CC(C)C)C(C)C)c1ccccc1 757771818 KWQJCJYQLMZELX-QGZVFWFLSA-N 286.419 3.827 30 20 CHED C=C(Br)CN(C)C/C(C)=C/c1ccccc1 755195584 OSVHZZYHSWSVQA-FMIVXFBMSA-N 280.209 3.930 30 20 CHED Cc1oc2ccccc2c1C=NNCc1ccc(C#N)cc1 758119826 UZJLQDXYGIQITP-UHFFFAOYSA-N 289.338 3.737 30 20 CHED N#Cc1cc2ccccc2nc1N1CC[C@H](c2ccco2)C1 750028919 AWEBLGXPSZSVKU-AWEZNQCLSA-N 289.338 3.693 30 20 CHED C#CCCCC(=O)Nc1cc(Cl)ccc1NC(C)C 855236672 ALVINOOBZAZWSG-UHFFFAOYSA-N 278.783 3.902 30 20 CHED C(=NN=C(c1ccccc1)c1ccccc1)C1CCOCC1 755468529 VFABNRXDYHKUEO-UHFFFAOYSA-N 292.382 3.936 30 20 CHED C=CCC[C@H](NC[C@@H](C)CC1(C)OCCO1)c1ccco1 866425565 MNSDYEVCLLDPTR-GJZGRUSLSA-N 293.407 3.666 30 20 CHED CCCCCCCNC(=O)c1oc2c(c1C)C(=O)CCC2 862360719 YRZKHTDHKJXAIL-UHFFFAOYSA-N 291.391 3.807 30 20 CHED C=C(C)CCOC(=O)c1scnc1C1CCCC1 760215716 AHEAAARBAIHAON-UHFFFAOYSA-N 265.378 3.924 30 20 CHED CCCCCCCNC(=O)c1cc(C(C)=O)cs1 862360058 VOPDPQVYHRPZBG-UHFFFAOYSA-N 267.394 3.651 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C\c2cccnc2)CCCC1(C)C 767218873 LTTGXQSVUMGROM-YDZSZYSISA-N 284.403 3.688 30 20 CHED CC(CCCCO)=NNc1ccnc2cc(Cl)ccc12 766681991 IPUMJOLAYKTTKZ-UHFFFAOYSA-N 291.782 3.839 30 20 CHED Cc1cccc(C(=O)OCc2ccccc2C(C)(C)C#N)n1 767989153 VHKQXZBNAHWZAO-UHFFFAOYSA-N 294.354 3.548 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCCC(F)(F)CC2)cc1 862467067 NXCPPBRXSXSEGV-CYBMUJFWSA-N 294.345 3.599 30 20 CHED C[C@H](C(=O)OCCCCC(C)(C)C#N)c1ccco1 768723585 YDMJHSPTSGYFCG-LBPRGKRZSA-N 263.337 3.646 30 20 CHED C#CCCCN[C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 766234642 ZTTHKNSHLFNTKC-DOTOQJQBSA-N 289.394 3.864 30 20 CHED C=CC[C@@H](NC(=O)c1cccc(C)c1F)c1ccncc1 760545108 IYDJNJZLROHLOM-OAHLLOKOSA-N 284.334 3.576 30 20 CHED C=CCOc1ccc(COC(=O)c2cccs2)cc1 763639122 AVOFPYOPAIHUMJ-UHFFFAOYSA-N 274.341 3.670 30 20 CHED Cc1cccc(OCCCNCc2ccc(C#N)c(C)c2)c1 767661818 GSIRWWXQXJTRLY-UHFFFAOYSA-N 294.398 3.734 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC 872040823 CPGTXPBFKPNSCD-NXEZZACHSA-N 266.366 3.542 30 20 CHED C[C@@H](/N=C/c1cccc(O)c1O)c1cccc(F)c1F 766670911 DCXHFIKIXAKMTK-SEYNJHBTSA-N 277.270 3.556 30 20 CHED CC#CCCCC(=O)Oc1ccc(-c2cscn2)cc1 767103424 RIJWZOUVPHDNCN-UHFFFAOYSA-N 285.368 3.909 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2occ(C)c2C)cc1 1118369331 BDJOQIFFEMYSOW-INIZCTEOSA-N 296.370 3.796 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2ccc(OCC)cc2C1 1117702384 VYSPCCGPZXMWOO-UHFFFAOYSA-N 287.403 3.572 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCC2)c(Br)c1 777452514 XTTFPLWPNXMXCS-UHFFFAOYSA-N 298.140 3.699 30 20 CHED C=CCC[C@H](C(=O)O[C@@H](C)CCOC)c1ccccc1 778688962 LMFXXWSJSLSJGN-HOCLYGCPSA-N 276.376 3.705 30 20 CHED C#CCC(C)(C)COC(=O)/C=C/c1ccc2ccccc2n1 779454427 PNJHXHYHQJPCLB-VAWYXSNFSA-N 293.366 3.841 30 20 CHED Cc1ccc(CCCCC(=O)OCC2(C#N)CC2)cc1 775856117 ZVOANOLZFXZDCQ-UHFFFAOYSA-N 271.360 3.555 30 20 CHED C[C@H]1CCN(C(=O)c2csc(C#N)c2)c2ccccc21 1117778018 KKICCEAOWGBYQR-NSHDSACASA-N 282.368 3.774 30 20 CHED C=CCC[C@H](Nc1ccc(NC(C)=O)cn1)c1ccco1 1117112563 LMZUCBVLRMHHSC-AWEZNQCLSA-N 285.347 3.752 30 20 CHED C=C(CC)COC(=O)c1c[nH]cc1-c1ccccc1OC 773500456 HOFLYTJXBPQJES-UHFFFAOYSA-N 285.343 3.813 30 20 CHED C=CC[C@@H](C(=O)OCc1c(CC)noc1C)c1ccccc1 778428684 SRFQDMFXAYFHCR-OAHLLOKOSA-N 299.370 3.949 30 20 CHED CC(C)c1ncc(C=NNc2ccc3[nH]ncc3c2)s1 779817703 RFUVHCKMTAAUMS-UHFFFAOYSA-N 285.376 3.589 30 20 CHED CC(=O)[C@](C#N)(CCN(C)[C@H](C)C1(C)CC1)c1ccccc1 878179308 KUVVLOIRRJOWQS-DNVCBOLYSA-N 298.430 3.547 30 20 CHED C#CCCCOC(=O)C1(Cc2ccc(Cl)cc2)CC1 771176633 HOBWXWPSMUCFQG-UHFFFAOYSA-N 276.763 3.619 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(F)c(C#N)c1 770564964 CZEHNGUDKJANFD-VQHVLOKHSA-N 265.287 3.902 30 20 CHED C=CC(C)(C)CC(=O)N1CCCC[C@@H](SCC)C1 878818300 PKULPTAFRLEXOQ-CYBMUJFWSA-N 269.454 3.723 30 20 CHED COc1cccc(NN=C2C=C(C)CC(C)(C)C2)n1 779817331 JMOVMMXXNNVBQZ-UHFFFAOYSA-N 259.353 3.624 30 20 CHED Fc1cc(F)c2c(c1)C(=NOC1CCCC1)CC2 774607107 JREGJWUWVFDAME-UHFFFAOYSA-N 251.276 3.574 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H](CCC)C(C)C 775946098 LVDAQPBCSYFTPY-CQSZACIVSA-N 273.376 3.709 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N[C@H]1CCOC1 774820021 ORYNUJXYSSVKFT-GJZGRUSLSA-N 269.429 3.668 30 20 CHED CC(C)O[C@H]1CC(=NNc2nccnc2C(C)C)C1(C)C 773086733 SLXZMCMNHBQGSO-ZDUSSCGKSA-N 290.411 3.591 30 20 CHED CCCCC[C@@H](CC)C(=O)N[C@H](C#N)C(C)(C)C 775771400 NRSUEPMIOZVNAE-CHWSQXEVSA-N 252.402 3.647 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(C)cc(C)c1O 778589773 UWBVXZIQJBDKLK-UHFFFAOYSA-N 285.387 3.833 30 20 CHED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCc2ccc(F)cc21 776191672 FTYROYZUUIDTHE-MDWZMJQESA-N 297.285 3.946 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)c1ccccc1 780039326 ZLYAAAKWLZWEON-UHFFFAOYSA-N 271.703 3.569 30 20 CHED C#CCCCCCC(=O)O[C@@H](C#N)C1CCCCC1 780255859 XRVOMOUOOSPSOM-HNNXBMFYSA-N 261.365 3.586 30 20 CHED C[C@H](C=NNCC(F)(F)F)c1ccc(C(F)(F)F)cc1 789051775 XGFTVCAXJIWAAV-MRVPVSSYSA-N 298.230 3.947 30 20 CHED CC[C@@H](C#N)C(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 882221543 XOGKWQYJVKBQIO-JTQLQIEISA-N 298.308 3.606 30 20 CHED Fc1cc(NN=Cc2cccc(OC(F)(F)F)c2)ccn1 781134084 QHNLDIIBGQNBJH-UHFFFAOYSA-N 299.227 3.565 30 20 CHED Cc1cc(C)cc(C2(C(=O)OCC3(C#N)CCCC3)CC2)c1 780534597 OWBGEKYESHCADE-UHFFFAOYSA-N 297.398 3.962 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 1129070739 BVPZSQQCRFBPRU-SLEUVZQESA-N 298.386 3.772 30 20 CHED C=C1CCN(C(=O)c2cc(C)ccc2Br)CC1 268656468 VWOXIDXHCLLGCD-UHFFFAOYSA-N 294.192 3.550 30 20 CHED CCCc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1 781804383 DAGRKLIEYMQNTA-UHFFFAOYSA-N 285.391 3.797 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C)c(-n2cccc2)c1 785862296 ZNMJTECFZQVLLM-KRWDZBQOSA-N 294.398 3.966 30 20 CHED CN(C)C(=O)c1cccc(/C=C/C(=O)C2CCCCC2)c1 899345229 IOTBPJBGYNYGHZ-VAWYXSNFSA-N 285.387 3.551 30 20 CHED C[C@@H](NCCCCC#N)c1cccc(C(F)(F)F)c1O 788587520 JFEOVBUKFTXHQS-SNVBAGLBSA-N 286.297 3.755 30 20 CHED Cc1cc(C=NNc2ccnc(F)c2)c(C)n1CC(C)C 781126840 FJRCCJOSRAFVOH-UHFFFAOYSA-N 288.370 3.741 30 20 CHED Clc1ccsc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 782267006 NJXRLSXYZIRJLG-QXEWZRGKSA-N 254.786 3.514 30 20 CHED N#Cc1ccc(CNN=C/C=C/c2ccc(F)c(F)c2)cc1 794920792 SRHGAUIHQJXRBI-UGUHGPHQSA-N 297.308 3.625 30 20 CHED CCCCCCCCC(=O)OC[C@@H]1CCC[C@@H](O)C1 795332315 HJEXMTUUCJZCMA-HUUCEWRRSA-N 270.413 3.831 30 20 CHED Cc1cc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)oc1C 799896113 GMHFQTZKPVMXOO-SREVYHEPSA-N 272.348 3.813 30 20 CHED Cc1cc(C(=O)/C=C/c2cn(C)nc2C2CC2)cs1 899380931 RUUIMJYJDRKYDN-AATRIKPKSA-N 272.373 3.564 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)CS1 397832304 DAFLRGUGHPUJNF-GZMMTYOYSA-N 252.770 3.518 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1cc(C)on1 790288010 XNLFFQIUMRUHJZ-UHFFFAOYSA-N 269.348 3.698 30 20 CHED N#Cc1ccc(CCN2CCC[C@@H](c3ccccc3)C2)cc1 1208926737 KTDLTPBOSKEOKQ-HXUWFJFHSA-N 290.410 3.980 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@@H](OC1CCCC1)c1ccccc1 791200419 WEQAQBLMIPFVDF-WMZOPIPTSA-N 299.414 3.605 30 20 CHED C[C@H]1OCCC1=NNc1cc(Cl)cc(Cl)c1 790201408 DXOPSRWVGCCKPB-SSDOTTSWSA-N 259.136 3.570 30 20 CHED C#CCOCCC(=O)Nc1cc(-c2ccc(C)o2)ccc1C 794099308 UQYKPAOXRFHBDM-UHFFFAOYSA-N 297.354 3.542 30 20 CHED Cc1ccc(CN(C)CCc2ccc(C#N)cc2)cc1C 1208929461 QAWKRRJNADCAOJ-UHFFFAOYSA-N 278.399 3.850 30 20 CHED C#C[C@H](CCC)NC(=O)C(C)(C)c1ccc(Cl)cc1 791742260 DYAYRFOSEPZCSN-CQSZACIVSA-N 277.795 3.536 30 20 CHED Cc1cccc(NN=C2CCCC23CCOCC3)c1 799864824 RZLHWJWIIWFEFD-UHFFFAOYSA-N 258.365 3.744 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H](C)c1nc2ccccc2n1C 796942848 PHYKWCYFHDTDSJ-LBPRGKRZSA-N 286.375 3.780 30 20 CHED C[C@@H](CC1CCCC1)Nc1cccc(OCC#N)c1 689739873 SASDCLMQYHEHIP-ZDUSSCGKSA-N 258.365 3.970 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2ncccc2F)cc1 794981649 ZGOLFMCCWTTYRP-NSHDSACASA-N 287.338 3.821 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1c(C)cccc1C 798374930 DILBRRIOOHILHO-ZDUSSCGKSA-N 262.422 3.945 30 20 CHED C=CC[C@@H]1CCCN(Cc2noc(-c3ccsc3)n2)C1 661378915 OKYMLFXGQXIMIQ-GFCCVEGCSA-N 289.404 3.586 30 20 CHED COc1cc(N[C@H]2CC[C@H](C#N)C2)ccc1OC(C)C 799723574 MOLPSCQKWJBXJN-STQMWFEESA-N 274.364 3.587 30 20 CHED CCOc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1F 695836877 OHSGFDOCPXIRFI-NSHDSACASA-N 264.344 3.965 30 20 CHED N#Cc1cnc(N[C@H]2CCC[C@H]2Cc2ccccc2)c(F)c1 1162585038 XMMFCUMSIFWNML-RDJZCZTQSA-N 295.361 3.916 30 20 CHED Cn1c(C=NOC(C)(C)C)nc2cc(C(F)(F)F)ccc21 1319805760 XUQIYYZFDGXTPS-UHFFFAOYSA-N 299.296 3.741 30 20 CHED C[C@H](CCc1ccccc1)Nc1cccc(CC#N)n1 1161612915 NVMCRWVRPYANDT-CQSZACIVSA-N 265.360 3.581 30 20 CHED C=C(CNC(=O)N[C@H](C1CCC1)C1CC1)c1ccccc1 1312820118 JOPKXQWJEDGWOU-QGZVFWFLSA-N 284.403 3.578 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1cc(C#N)ccc1C)CC2 1310382195 LQPDABAMWVUZOP-UHFFFAOYSA-N 291.354 3.770 30 20 CHED C=C[C@@H](COC)N[C@H]1CCSc2cc(C)c(C)cc21 1325905643 YQDIUHDRPOAIAI-ZFWWWQNUSA-N 277.433 3.631 30 20 CHED Cc1ncc(CSCc2ccc(Cl)cc2C#N)cn1 1321871483 PBNXSGLOSAKIGJ-UHFFFAOYSA-N 289.791 3.744 30 20 CHED C/C(=C\c1nnc(COc2ccccc2C#N)o1)C(C)(C)C 1322087803 SJEZMLKAYGOSAP-FMIVXFBMSA-N 297.358 3.970 30 20 CHED Cc1nc(C#N)cc(N[C@@H](c2cccc(F)c2)C(C)(C)C)n1 1185801854 NYSWAVBTHMJXJO-INIZCTEOSA-N 298.365 3.995 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cccc(C(F)(F)F)c1 1321242611 YAOLZEBRUCMVCO-MFKMUULPSA-N 273.298 3.557 30 20 CHED Cc1cccc2cc(C(=O)N[C@H](C#N)C3CCCC3)oc12 1338214960 GNTGXTZZYQJYSZ-CQSZACIVSA-N 282.343 3.553 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1cccc(F)c1F 1256049024 WTISZKGGITZRGJ-SNVBAGLBSA-N 282.359 3.702 30 20 CHED CC[C@H](SC)C(=O)N(c1cccc(C#N)c1)C1CCC1 1331469359 RZAOYVDYGDVHLT-HNNXBMFYSA-N 288.416 3.585 30 20 CHED C=C(C)CCC(=O)NCC1(Sc2ccccc2)CC1 1335771449 ANZNVTVTKZRACV-UHFFFAOYSA-N 275.417 3.784 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)[C@@H](c1ccccc1)C(C)C 1347337597 KGGUFAQAFPDFKB-JKSUJKDBSA-N 295.386 3.519 30 20 CHED Cn1cc(-c2ccc(CNCC(C)(C)CCC#N)cc2)cn1 1346914266 SMRSAUHLSOCXMI-UHFFFAOYSA-N 296.418 3.507 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 1346199600 BIUZIKWBBNNWGU-CQSZACIVSA-N 263.768 3.970 30 20 CHED CCn1c(CCCCC#N)nnc1N(C)c1ccc(C)cc1 1263018599 NITUVLHHUURFGZ-UHFFFAOYSA-N 297.406 3.611 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)c1cccn1C)c1cccs1 1348801204 YVNHNODFLQCQDV-BXUZGUMPSA-N 288.372 3.534 30 20 CHED Cc1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c(F)c1Cl 1344036548 SMNUZLZBXAETOL-ZJUUUORDSA-N 281.714 3.637 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(C)cs2)s1 1351205649 YRCJEQIOGWVVDQ-UHFFFAOYSA-N 276.386 3.804 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 1351156870 HJXYRQDJZCDLTA-KBPBESRZSA-N 287.407 3.880 30 20 CHED CCc1ccc(F)cc1C(=O)O[C@H](CC#N)c1ccco1 1350312300 SPVLVXMCYLVSEN-OAHLLOKOSA-N 287.290 3.793 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H](c2ccccc2)C1 110436444 WGIZVSHTMAZVPR-AWEZNQCLSA-N 266.319 3.691 30 20 CHED Cc1cc(NC[C@H](c2ccccc2)C2CC2)ncc1C#N 1458401566 NDTCFBVPHJYLRE-QGZVFWFLSA-N 277.371 3.867 30 20 CHED CC[C@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)CC1 1456269895 KYYDIAYYABUBLA-RDJZCZTQSA-N 284.403 3.723 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1526782535 YVJHOABLSZTPSJ-CVEARBPZSA-N 284.403 3.578 30 20 CHED Cc1ccc2oc(NCc3ccc(C#N)c(F)c3)nc2c1 1458427913 IHZXCLKNRVTKAI-UHFFFAOYSA-N 281.290 3.759 30 20 CHED COc1ccc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1C#N 1535536892 QARNCEPYCPWIRX-FRRDWIJNSA-N 286.375 3.578 30 20 CHED CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1cccc(F)c1C#N 1472735637 HHKBUGUTZLAZSS-HOTGVXAUSA-N 290.382 3.727 30 20 CHED N#Cc1sc(Sc2cccc(F)c2C#N)nc1Cl 1472816662 PLGWRGDWRGHORY-UHFFFAOYSA-N 295.751 3.830 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)Cc1c(Cl)cccc1Cl 1536521791 PFLZOAIMQGNYBR-JTQLQIEISA-N 299.201 3.687 30 20 CHED CCCCN(c1ncc(Cl)c(C)c1C#N)C1CC1 1472730211 IVVYHHDZNJNZON-UHFFFAOYSA-N 263.772 3.684 30 20 CHED CC1(C)CC(C(=O)N2CCC[C@](C)(C#N)C2)CC(C)(C)C1 1623743041 FPMIIPPLUQEWAP-GOSISDBHSA-N 290.451 3.991 30 20 CHED COc1ccc(C#N)cc1CNc1c(F)cccc1Cl 122050639 TZGQBGHPZUHHOB-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCOC(=O)[C@H](Sc1ccc(Cl)cc1C#N)C(C)C 1640957185 IKGIGGJHBQBKLJ-CYBMUJFWSA-N 297.807 3.891 30 20 CHED CC(C)Oc1ccc(Oc2ncc(C#N)cc2F)cc1 1642256393 WHHMRMRCVBXJAU-UHFFFAOYSA-N 272.279 3.672 30 20 CHED CC1CCC(C)(NC(=O)Nc2sccc2C#N)CC1 1671445609 VWLCVZCUPJUQLD-UHFFFAOYSA-N 277.393 3.710 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(C(=O)O)c(C)o2)c(C)s1 1776133186 PHVAYOFUTVMRPN-PLNGDYQASA-N 290.340 3.861 30 20 CHED CCCCCCCCCN(C)c1nc(C(=O)O)co1 1776785390 NFHHBQJVBZYPFD-UHFFFAOYSA-N 268.357 3.560 30 20 CHED Cc1oc(C=NNc2c(F)cccc2Cl)cc1C(=O)O 1776055771 PTXDVNLRJYWJBU-UHFFFAOYSA-N 296.685 3.525 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C(=O)O)s2)cs1 1777420952 UKGVJJCPTAZHTA-IHWYPQMZSA-N 278.354 3.712 30 20 CHED Cc1ccnc(N(C)C2CCC(C)(C)CC2)c1C#N 135085729 MFAAICCZESJGOU-UHFFFAOYSA-N 257.381 3.667 30 20 CHED CC1(C)CCN(Cc2ccc(C#N)cc2Cl)CC1 162900603 DQFKBYCIYCKPPK-UHFFFAOYSA-N 262.784 3.834 30 20 CHED COc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1C#N 158985124 JAEBHGKZJAVEHS-LCYFTJDESA-N 269.344 3.729 30 20 CHED CC(C)=CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 160865662 RIBGWHBKQWKXLA-UHFFFAOYSA-N 283.356 3.586 30 20 CHED C=C(Cl)CN[C@H]1C[C@H](C)c2c(C)ccc(O)c21 168837065 VAKNEAQFRISTPH-ONGXEEELSA-N 251.757 3.591 30 20 CHED C=CCCSCC(=O)N[C@@H](C)c1ccccc1Cl 151976751 YIVGKXYJNBEXSG-NSHDSACASA-N 283.824 3.827 30 20 CHED C=CCC[C@H](CC)NCCc1cn2cccc(C)c2n1 156334002 GVUAPOOQRUTZKC-HNNXBMFYSA-N 271.408 3.520 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)NC(C)(C)C 154180670 KCYVMAAOPGCUPC-SECBINFHSA-N 296.823 3.607 30 20 CHED C[C@@H]1/C(=C\c2ccc(C#N)cc2)C(=O)c2c(O)ccc(F)c21 7333207 FZMIFUNJXKRTKM-SEEODLKFSA-N 293.297 3.786 30 20 CHED C=C(Cl)COC(=O)CCSc1ccc(C)cc1 916609452 KOMFWLHKKOGWGK-UHFFFAOYSA-N 270.781 3.773 30 20 CHED N#CCc1ccc(N[C@H]2CCc3c(F)cccc32)cc1 147611543 KJPWMWRMLWCROR-KRWDZBQOSA-N 266.319 3.991 30 20 CHED CCCN(CC#N)C(=O)CCc1ccc(Cl)cc1Cl 60541796 DPQXQMIINIGVBV-UHFFFAOYSA-N 299.201 3.688 30 20 CHED C=CCNc1cc(Cl)cc(Br)c1OC 306522382 LRLWIQFBYYJZNX-UHFFFAOYSA-N 276.561 3.709 30 20 CHED Cc1ccc(C#N)c(NCc2ccc(F)c(Cl)c2)n1 53158209 QTFNJGQYZGYSSL-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=C(Br)CN1CC[C@H](CC(C)(C)C)C1 307779457 JXONTFPKLCUMGK-LLVKDONJSA-N 260.219 3.653 30 20 CHED CC[C@H]1CC[C@@H](C)N1c1nc(C)c(C#N)cc1Cl 311118620 ODXUQBVVNOERGK-SKDRFNHKSA-N 263.772 3.682 30 20 CHED N#Cc1ccc(-c2csc([C@@H]3CCCOC3)n2)cc1 87815593 SJAIGLKBMVHBIV-CYBMUJFWSA-N 270.357 3.576 30 20 CHED C[C@@H]1CCC[C@@H](CNc2ccc(OCC#N)cc2)C1 89604779 KCQIDAVUYAWPEH-ZIAGYGMSSA-N 258.365 3.827 30 20 CHED Cc1ccccc1CN(C)c1ncc(C#N)cc1Cl 339229168 CUZZCECGFXFAIG-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CCCCCCCC(=O)Nc1cccc2c1CCN2 721188677 YMBXIEZCGUUJQJ-UHFFFAOYSA-N 260.381 3.954 30 20 CHED C=CCCSCCN[C@@H](C)c1ccccc1F 594709297 FLPSDDCNOUFBFU-LBPRGKRZSA-N 253.386 3.786 30 20 CHED CCOc1ccc(Oc2nc(Cl)c(C#N)s2)cc1 310939744 WJZXNQACLNXBTR-UHFFFAOYSA-N 280.736 3.859 30 20 CHED C=C(C)CN(CC)C[C@@H](O)c1ccc(C(F)(F)F)cc1 51092542 LIQPJHADRZDFPR-CQSZACIVSA-N 287.325 3.637 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(Oc2ccccc2)o1 176415303 HHJYXJYOOPLZOH-GFCCVEGCSA-N 271.316 3.766 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 119877790 RJCJBFNPBRZRGE-GOEBONIOSA-N 287.378 3.724 30 20 CHED N#Cc1cccc(SCc2ccnc(Cl)c2)c1 177360269 ZSWRSORCVDNLBW-UHFFFAOYSA-N 260.749 3.899 30 20 CHED N#Cc1ccc(N[C@H](c2ccccc2)C2CCCC2)nn1 301962215 IJLYHCXWBBDGTR-QGZVFWFLSA-N 278.359 3.692 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 68752028 GNLLMWKJNQXEBB-LBPRGKRZSA-N 282.318 3.515 30 20 CHED C=CCCCCCN(C)C(=O)/C=C/c1ccccc1C#N 172466357 UOEKRAJNXRFZLT-OUKQBFOZSA-N 282.387 3.776 30 20 CHED N#Cc1c(Cl)nsc1NC[C@@H]1CCc2ccccc21 110596110 NMLRKCOPSMTVOO-JTQLQIEISA-N 289.791 3.810 30 20 CHED N#CCCCCNCc1cccc(-c2ccccn2)c1 178744480 YQEBIVMOFPCCHK-UHFFFAOYSA-N 265.360 3.532 30 20 CHED N#CCCN(Cc1c(Cl)cccc1Cl)C1CC1 42549129 VBVJVIXLZOXMCA-UHFFFAOYSA-N 269.175 3.871 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2coc3ccccc23)o1 178542089 VERUBAKMROXMJJ-SOFGYWHQSA-N 296.278 3.709 30 20 CHED CC(C)N(CCOc1ccccc1C#N)C1CCCC1 110790545 ZSHVCSGJPSDJKZ-UHFFFAOYSA-N 272.392 3.590 30 20 CHED CC[C@H](CNc1cccc(C#N)n1)c1ccccc1 301276990 MIIBRHCFAQZANG-CYBMUJFWSA-N 251.333 3.559 30 20 CHED CSCc1ccc(Nc2ccc(C#N)cn2)cc1 66818953 AGLPEKUINCCWRV-UHFFFAOYSA-N 255.346 3.560 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2c(C)cc(F)cc2C)c1 1275797660 XZDUSXZIQROWPZ-UHFFFAOYSA-N 282.318 3.875 30 20 CHED CC(C)(CCC#N)CNc1ccc(SCCCO)cc1 305124046 CGIQUSFXEPZDAB-UHFFFAOYSA-N 292.448 3.903 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C(C)(C)C)on1 121726865 XZUZYJNLDVVQQD-UHFFFAOYSA-N 291.395 3.564 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1c1ccc(C#N)nn1 302009178 VOJJKZYQMRGGQR-IAGOWNOFSA-N 292.386 3.511 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)cc1C 129906546 KKEMAAMIXZRFEY-WBVHZDCISA-N 284.403 3.908 30 20 CHED C#Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 36656858 ZZQYVQRPUNUCMI-UHFFFAOYSA-N 289.256 3.939 30 20 CHED C[C@H]1CCCN(CCCCN[C@@H](C)c2cccc(C#N)c2)C1 181511568 JHXGMLREGDUDCP-IRXDYDNUSA-N 299.462 3.721 30 20 CHED CCOc1cccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 185804698 VQCNQDKODFTTJH-DZKIICNBSA-N 272.392 3.818 30 20 CHED N#Cc1cc(F)ccc1COc1ccc2c(c1)CCCC2=O 77566824 BDNTUCFCZGMAFB-UHFFFAOYSA-N 295.313 3.795 30 20 CHED CC(C)(C#N)COC(=O)c1csc2ccccc12 180162347 QZFKVNJKPNINCB-UHFFFAOYSA-N 259.330 3.608 30 20 CHED O=C(NCC1CC1)Nc1cccc(C#Cc2ccccc2)c1 125880231 BQWRRWOSVWEODZ-UHFFFAOYSA-N 290.366 3.618 30 20 CHED CCN(CC1(CC#N)CC1)[C@@H](C)c1ccc(C#N)cc1 602765761 ZLFLOWXKMAEOSH-AWEZNQCLSA-N 267.376 3.635 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCC(C)(C)CC#N 414162315 GZCBXWXETSXORE-CYBMUJFWSA-N 260.381 3.594 30 20 CHED CC[C@H]1CCCN(c2c(C#N)nnc3ccccc23)CC1 77225399 APGFPBACPJAGLD-ZDUSSCGKSA-N 280.375 3.518 30 20 CHED C[C@@H](CCC#N)Sc1ncnc2sc3c(c12)CCC3 188222621 NBNDQZNQXWHIDP-VIFPVBQESA-N 289.429 3.964 30 20 CHED C=C[C@@H](C)NC(=O)Cc1csc2ccc(Cl)cc12 122017993 GWFYAVPQSZBZGU-SECBINFHSA-N 279.792 3.788 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H](C)c1nccs1 184230163 BJXFIRALZDKWTA-CYBMUJFWSA-N 295.452 3.634 30 20 CHED Cc1cc(C)c(C(=O)Nc2cccc(OCCCC#N)c2)[nH]1 127789702 XPLLSOZXWIDXFQ-UHFFFAOYSA-N 297.358 3.566 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](CCC)c1ccccn1 503937415 RMXBINLFBMWATH-HUUCEWRRSA-N 274.408 3.826 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)c2cccc(C#N)c2C)C1 509948700 KUNNUFNPJMLPSB-ZFWWWQNUSA-N 270.376 3.565 30 20 CHED N#C[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1Cl 188916992 WQQSXJOSTVICJV-SWLSCSKDSA-N 288.778 3.767 30 20 CHED C[C@H]1C[C@@H](NCC(C)(C)C#N)c2ccsc2S1 122322208 XETDADZNHXKJHO-GXSJLCMTSA-N 266.435 3.813 30 20 CHED Cn1nccc1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 210601620 KULWKXZVZGYSKR-HYXAFXHYSA-N 281.142 3.623 30 20 CHED N#CCc1ccc(C[S@](=O)CCCc2ccccc2)cc1 414299373 UBICVJDZIQBORD-OAQYLSRUSA-N 297.423 3.634 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc3ncccc23)C1 185888475 GALXGAALMMLPMR-QWHCGFSZSA-N 251.333 3.729 30 20 CHED N#CC1(CCSC[C@@H]2CCCO2)CCCCC1 413003673 IMPAVVSBXQALGY-ZDUSSCGKSA-N 253.411 3.763 30 20 CHED C#CCCCNC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 186345162 URONSMSZRGRXJI-UHFFFAOYSA-N 299.414 3.514 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2C)cc1 509026441 KRVUXPTXCIRGBT-AWEZNQCLSA-N 292.382 3.920 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(C#N)s1 180248342 RCIKBAIDDLRFBK-NSHDSACASA-N 268.451 3.583 30 20 CHED N#Cc1cccc(CN2CCS[C@@H]3CCCC[C@@H]32)c1F 340887470 ZKWAUTLSWUOJAD-LSDHHAIUSA-N 290.407 3.557 30 20 CHED Cc1nc(CN[C@@H](CCC#N)c2ccccc2)cs1 130569896 RYDRAYLADDSGKW-HNNXBMFYSA-N 271.389 3.586 30 20 CHED C=CCC[C@H](CC)NCc1ccnc(N2CCCC2)c1 131470920 GLYNEFQTMCHVKR-INIZCTEOSA-N 273.424 3.516 30 20 CHED N#Cc1ccc(/C=C/C=C\c2ccc(F)c(F)c2)nc1 504714020 ZZPFXQKMOKSWLY-HSFFGMMNSA-N 268.266 3.958 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N(C)C[C@@H](C)C#N)c1 507501936 ACQWINXYYMPJCH-GJZGRUSLSA-N 286.419 3.607 30 20 CHED CCOc1ccc(C#N)cc1NCc1nc(C)c(C)s1 88525231 BGNDJJXGQHYPHV-UHFFFAOYSA-N 287.388 3.642 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc3c2CCCC3)CC(O)=N1 329334195 KOVUKYMTRWVLAM-AAEUAGOBSA-N 286.375 3.908 30 20 CHED C=C(C)CCc1noc(Cc2c[nH]c3cccc(C)c23)n1 508610097 VJIYPNANTVACBR-UHFFFAOYSA-N 281.359 3.959 30 20 CHED Cc1ccc(C(=O)N(CC#N)c2ccccc2)c(Cl)c1 191579727 OSTRDBGOAWYNSH-UHFFFAOYSA-N 284.746 3.819 30 20 CHED CCc1c(C(=O)/C=C/c2ccnn2C)oc2ccccc12 45111017 SSUPAPRXTORDAI-CMDGGOBGSA-N 280.327 3.625 30 20 CHED COc1cccc2c1CC/C(=C\c1cccnc1C)C2=O 194593523 QLMRQKGZRAXFLG-SDNWHVSQSA-N 279.339 3.611 30 20 CHED C[C@@]1(C#N)CCCN(CCCOc2ccc(Cl)cc2)C1 612167613 RLIUDBQUVMWNGA-INIZCTEOSA-N 292.810 3.735 30 20 CHED C[C@H](/N=C(/O)[C@@H]1C[C@@]12CCOC2)c1cc2ccccc2o1 329640661 ZXTDKHYRIOTYGW-PLQHRBFRSA-N 285.343 3.877 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2csc3ccccc23)C1 612240677 TXUHPVAKORJBAP-INIZCTEOSA-N 284.384 3.667 30 20 CHED C=CCCCCN1CCC(C(=O)NC2CCCCC2)CC1 519743622 DLUMOAPBWUONDP-UHFFFAOYSA-N 292.467 3.504 30 20 CHED CC[C@H](C#N)OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 84697150 HDHHHWYDVOEUBT-MXWKQRLJSA-N 298.169 3.942 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC(F)F)c1ccccc1 422256805 IJHYOAGNFDFQRZ-ZDUSSCGKSA-N 282.334 3.600 30 20 CHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(C)ccc1OC 424319136 DYDYOFPAVNKPTP-LZWOXQAQSA-N 272.392 3.737 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)s1 45403870 WXRYZZGKCYPYGJ-UHFFFAOYSA-N 298.411 3.981 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)CCC1 190873362 NWPAJSGGWBAZFT-MRXNPFEDSA-N 299.414 3.758 30 20 CHED C[C@@H](NC[C@H]1[C@H]2Cc3ccccc3[C@H]12)c1ccc(C#N)cc1 133212496 DJWJJKPQLMKYPO-YFMMTPMMSA-N 288.394 3.795 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 429680635 IJNCPOUPBOQOGB-IAGOWNOFSA-N 291.435 3.831 30 20 CHED C=CCOc1cccc(CN2CC[C@H]3CCC[C@@H]32)c1 428461920 QMPKVBMVTNRHSB-WBVHZDCISA-N 257.377 3.626 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccc(C)c(C)c2)cc1 49893796 JIFKYPRXLPIOFP-SFHVURJKSA-N 292.382 3.861 30 20 CHED C[C@@H](C(=O)NCCCCC#N)c1ccc2ccccc2c1 84541818 YBNGXYZORNJPRB-CQSZACIVSA-N 280.371 3.753 30 20 CHED CC(C)(C#N)CCC[S@](=O)c1ccc2c(c1)CCC2 87611218 FXPHXUWHSOIAIT-LJQANCHMSA-N 275.417 3.613 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc2ncccc2c1 337979321 WXGLUBVGDLWDEG-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCOc1ccc(CNC(=O)Nc2cccc(C)c2)cc1 513558863 QXVGLQUGOJATLU-UHFFFAOYSA-N 296.370 3.882 30 20 CHED N#CC1(CCCN2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 337123059 BPTAQVQURJSZLU-IRXDYDNUSA-N 290.451 3.742 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cccc(-c2ccoc2)c1 89661259 HFYDKLHMIVUVGM-KRWDZBQOSA-N 282.343 3.615 30 20 CHED N#CCC1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 335206447 HGGBTMUVULWLGT-UHFFFAOYSA-N 282.387 3.720 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(C#N)ccc1Cl 334429637 IZFBPOWQIKZBCP-UHFFFAOYSA-N 295.729 3.644 30 20 CHED Cc1csc(C(=O)N(CC#N)C2CCCC2)c1Cl 235954620 FJWHGKKZHFCWMF-UHFFFAOYSA-N 282.796 3.618 30 20 CHED C[C@H](N[C@@H]1CCCc2cccnc21)c1ccc(C#N)cc1 91660743 NTCPQBVKWHDRJH-SUMWQHHRSA-N 277.371 3.681 30 20 CHED N#Cc1cccc(CNCc2cc(-c3ccccc3)on2)c1 237846754 XZFBCFLUEAGXKH-UHFFFAOYSA-N 289.338 3.503 30 20 CHED COc1ccc([C@H](NCCCCC#N)C2CC2)c(F)c1 421826793 USSLLEOBCYQYFN-MRXNPFEDSA-N 276.355 3.569 30 20 CHED CC(=O)c1ccc(C/N=C(/O)C2=C(C)CCC2)nc1C 330710361 PABVOROFUFZGEN-UHFFFAOYSA-N 272.348 3.550 30 20 CHED N#Cc1cccc(-c2nc(-c3cc(F)cc(F)c3)no2)c1 230996386 LMLXGODHAXKSQZ-UHFFFAOYSA-N 283.237 3.553 30 20 CHED C=CCCCN[C@@H](C)c1cccc(OC(F)F)c1 179588474 OTIHQKXSEGKXJL-NSHDSACASA-N 255.308 3.905 30 20 CHED N#Cc1ccncc1N[C@@H]1C[C@H]1c1c(F)cccc1Cl 94164799 NYYCRBHNKRSIGQ-ZWNOBZJWSA-N 287.725 3.714 30 20 CHED CCN(C[C@H](O)c1ccc(C)cc1)CC(C)(C)CCC#N 93641312 MOFUQGJZYVIKGR-KRWDZBQOSA-N 288.435 3.680 30 20 CHED C[C@H]1CN(C(=O)C2(C#N)CCCCC2)[C@H]1c1ccccc1 335557623 HFJYZRAQSHHWAF-GOEBONIOSA-N 282.387 3.680 30 20 CHED N#Cc1ccc(C(=O)Nc2cncc(Cl)c2Cl)s1 335636997 NJNORLNIEHBUFO-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C=CCCOCCN[C@H]1CC2(CCC2)Oc2ccccc21 90884070 DTNPFGMKAOWFFG-INIZCTEOSA-N 287.403 3.615 30 20 CHED C=C1CCN(C(=O)c2nc3ccccc3cc2Cl)CC1 336479540 RULCELMYDJSHGH-UHFFFAOYSA-N 286.762 3.680 30 20 CHED CC[C@H](C)[C@](C)(O)C/N=C(/O)c1occc1C(C)C 330476303 UVOAYTBQHOXFOU-XHDPSFHLSA-N 267.369 3.505 30 20 CHED Cc1cc(C)cc(CSc2ccnc(C#N)c2)c1 94718363 XMRJWYISKOZNEI-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C=C(C)COCCN[C@@H]1CC[C@@H](Cc2ccccc2)C1 436286103 APHXIZDUXDDHOR-ZWKOTPCHSA-N 273.420 3.580 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1cc(C#N)ccc1C 528304748 BTZRUFAZLHJMFJ-OAHLLOKOSA-N 292.382 3.992 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@H]1NCC(C)(C)CCC#N 348228003 NSTVUTAILBKXDN-WBMJQRKESA-N 274.383 3.979 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](c2cccc(C)c2)C1 529021929 XSOMOIRILWQTQA-MRXNPFEDSA-N 284.403 3.641 30 20 CHED COc1ccccc1[C@H](CC(C)C)NCC1(C#N)CC1 343606080 MKCRGCDQMOSQCG-HNNXBMFYSA-N 272.392 3.676 30 20 CHED Cc1nsc(Nc2ccc3scnc3c2)c1C#N 340864837 XICPWNYYHBQZDK-UHFFFAOYSA-N 272.358 3.677 30 20 CHED Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C)c(C#N)c1C 340722822 YSUPDMWBRFSILQ-SKDRFNHKSA-N 274.389 3.777 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H](CN2CCCCCC2)C1 602459961 PHVDYVLBWKTULX-ROUUACIJSA-N 291.483 3.514 30 20 CHED C=CCSCCNC(=O)Nc1ccc(F)c(C2CC2)c1 439784331 RWNYUINZWVFJJF-UHFFFAOYSA-N 294.395 3.744 30 20 CHED CC1(C)CCCN(C(=O)C(C2CCC2)C2CCC2)[C@@H]1C#N 344054270 WHRAKEIZQUNFBE-OAHLLOKOSA-N 288.435 3.744 30 20 CHED CCc1noc(C)c1CSc1ccc(C#N)cc1F 342095509 HZNPQZKKDVDPKW-UHFFFAOYSA-N 276.336 3.849 30 20 CHED CCO[C@@H]1C[C@H](N(C)Cc2ccc(CC#N)cc2)C12CCC2 343565319 HGYONZQPUIGLKI-ZWKOTPCHSA-N 298.430 3.532 30 20 CHED COCc1ccc(NCc2ccc(C)c(OC)c2)cc1C#N 527763850 OJRKFXFATZVEBQ-UHFFFAOYSA-N 296.370 3.634 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(Cl)s2)o1 255172615 LTGNMARNPDFLEK-RQOWECAXSA-N 296.731 3.677 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H](C)c2ccco2)s1 602248854 XNNNOYASRPNAFF-SNVBAGLBSA-N 288.372 3.907 30 20 CHED COc1nc2ccccc2cc1CNc1cccc(C#N)c1 526085638 OUZUQWIWPGJIOX-UHFFFAOYSA-N 289.338 3.727 30 20 CHED Cc1cccc(CN(C)C(=O)c2ccccc2CC#N)c1C 601595699 MPXURFLVOLFGMD-UHFFFAOYSA-N 292.382 3.642 30 20 CHED Cc1ccc([C@H](O)C/N=C\c2cc(Cl)ccc2O)cc1 255587860 ACRPRCUYRVUTLY-BZMUBCNJSA-N 289.762 3.507 30 20 CHED COc1ccc2oc([C@@H](C)NCC3(C#N)CC3)c(C)c2c1 348177370 YLFVBUKNAPMJEU-GFCCVEGCSA-N 284.359 3.704 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C(C)=O)cs2)n1 340832680 VZTUDZCZNLMXLN-UHFFFAOYSA-N 276.361 3.854 30 20 CHED Cc1ccc([C@H](C)CN2CCC[C@H](CC#N)C2)cc1 600176789 GQYRCCXUYBGLNX-HZPDHXFCSA-N 256.393 3.724 30 20 CHED C=CCCN(C)C(=O)Nc1cc2[nH]ccc2cc1C 342052711 VBMXUSXZXGWZPS-UHFFFAOYSA-N 257.337 3.516 30 20 CHED CC[C@@H](CC#N)NCCc1c(Cl)cccc1Cl 520248498 FDMCMRYKQRNMHW-JTQLQIEISA-N 271.191 3.818 30 20 CHED CC(C)(C#N)CCCN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O 253087709 DKMFTAIMPUPYBH-ZACQAIPSSA-N 292.467 3.722 30 20 CHED CCC[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccn1 609199387 FMOHPUJVMNAGCO-INIZCTEOSA-N 294.358 3.616 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(C#N)c1 525662779 MMGCHQFQMMISBF-QWHCGFSZSA-N 281.359 3.585 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc2c(c1)CCC2 606816839 PNGWMAKUNBLTKM-UHFFFAOYSA-N 285.431 3.923 30 20 CHED CC(C)(CCNC(=O)c1sccc1C#N)c1ccccc1 604524394 AYZKJWGTLLEFPO-UHFFFAOYSA-N 298.411 3.717 30 20 CHED C=CCCSCCNC(=O)[C@H](C)Cc1ccccc1C 600089852 AOCKEIXYSCIWAK-OAHLLOKOSA-N 291.460 3.599 30 20 CHED CC(C)N(Cc1ccccc1F)C[C@@H](C)CCC#N 602438486 CYDWLCIRZFQXIC-AWEZNQCLSA-N 262.372 3.976 30 20 CHED CC(C)Oc1cccc([C@@H](C)NCC2(CC#N)CC2)c1 602803348 XCFOBQHODMGHAA-CQSZACIVSA-N 272.392 3.818 30 20 CHED C[C@@H](CCC#N)CN(C)[C@H]1CCCN(Cc2ccccc2)C1 602445620 RSUYBAUBVKVDFJ-HKUYNNGSSA-N 299.462 3.523 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccc(Cl)cc1)C1CC1 537932624 QMSWQJCRZIZPIK-LBPRGKRZSA-N 277.795 3.696 30 20 CHED C[C@H]1CCC[C@@H]1NCCSCc1ccccc1C#N 531785377 IBBVKYIPISIOQY-BBRMVZONSA-N 274.433 3.570 30 20 CHED COc1cc(CNCCc2ccc(C)cc2C)ccc1C#N 440805383 GDWOIOGMWSOZIN-UHFFFAOYSA-N 294.398 3.516 30 20 CHED C=CCOCC(=O)Nc1c(CCC)cccc1C(C)C 351586679 NVHARBVZZDHKPI-UHFFFAOYSA-N 275.392 3.904 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C(CC)(CC)c1ccccc1 440386308 SJOBTRKPSVWRFY-OAHLLOKOSA-N 286.419 3.753 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc2cc(OC)ccc2[nH]1 613908838 KRHZWPNDECCZOU-INIZCTEOSA-N 272.348 3.717 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(F)c(C)c1 537193178 UMDCVVDIQNMVAA-UHFFFAOYSA-N 279.355 3.836 30 20 CHED C[C@H](C#N)CN(C(=O)Nc1ccsc1Cl)C1CC1 446564707 LLMNMLIDOQONEU-MRVPVSSYSA-N 283.784 3.557 30 20 CHED N#Cc1nn(CCSC2CCCCC2)c2ccccc12 443475904 RKQFRFHBSRODMX-UHFFFAOYSA-N 285.416 3.974 30 20 CHED CCN(C[C@H](C)C#N)c1ncnc2sc3ccccc3c12 440648328 OEEMPDYMJBHUIQ-LLVKDONJSA-N 296.399 3.830 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2nc(C3CCC3)no2)cc1 615131865 UUCLGAQQEASXNQ-HNNXBMFYSA-N 294.358 3.550 30 20 CHED CCN(CCC(F)(F)F)Cc1ccc(Cl)cc1C#N 614166377 FKEZCRJUBYFVFI-UHFFFAOYSA-N 290.716 3.986 30 20 CHED N#CCC[C@@H](C#N)CN1CCC(Cc2ccccc2F)CC1 264902907 WKQOKBLXXDYBAB-INIZCTEOSA-N 299.393 3.524 30 20 CHED C=C(C)CN1CCC(NC[C@H]2CCCC(C)(C)C2)CC1 532785801 MGAXZTTUCSHIJH-INIZCTEOSA-N 278.484 3.833 30 20 CHED CC[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccc(C)cc1 612357700 MRTBRAYXDDYJDX-FUHWJXTLSA-N 299.418 3.781 30 20 CHED N#Cc1ccc(S[C@H]2CCc3ccccc3C2)nc1 614800065 RACNRYGFZMDXPE-HNNXBMFYSA-N 266.369 3.603 30 20 CHED CCC(CC)CC(=O)N[C@H](C)c1cccc(C#N)c1 610726173 BMZBPIRGAINFTH-GFCCVEGCSA-N 258.365 3.562 30 20 CHED C[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 619755861 WRXWPZRPFXXNLI-ABAIWWIYSA-N 262.784 3.880 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 364319083 SKSNFJDMONLUTC-MRXNPFEDSA-N 291.341 3.822 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCc2cccc(C#N)c2)n1 613411452 CEZYTRKKNLWYBC-UHFFFAOYSA-N 290.370 3.735 30 20 CHED CC(C)c1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)on1 267166674 SOCYMTAFJWATLJ-LLVKDONJSA-N 284.315 3.588 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21 538286833 QNBVOVQRYDVHBS-OKDNKWQNSA-N 298.430 3.616 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)CC2 613275005 SMLHSFWQNVEBOZ-INIZCTEOSA-N 293.326 3.874 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(Cl)c1F 454263473 UBJWLCSMSHJYQD-UHFFFAOYSA-N 256.708 3.567 30 20 CHED CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@H]1CCC(C)(C)C1 362187694 FBWUAJMAFUACKO-INIZCTEOSA-N 296.414 3.627 30 20 CHED C=CC(C)(C)C(=O)NCc1cccc(C)c1Br 451076114 DZIBBHWZRZMIAD-UHFFFAOYSA-N 296.208 3.586 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](c1ccccc1)C1CCC1 278753256 QFKDFTBQGPRAIH-MRXNPFEDSA-N 270.376 3.584 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 454608639 ZLIUBHUQUNGDBR-RHSMWYFYSA-N 298.430 3.822 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 459656050 KFOXVHFHQFTENI-VQIMIIECSA-N 297.446 3.551 30 20 CHED CCN(C(=O)[C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 541004789 UODXXZQXXVPUMB-AWEZNQCLSA-N 270.376 3.737 30 20 CHED C=CCC[C@@H](C)NCCCOc1cccc2cccnc12 541743748 NQBDPIHMVLUJBK-OAHLLOKOSA-N 284.403 3.948 30 20 CHED C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 540604873 BBIIOWWGLGMDAO-CHWSQXEVSA-N 295.342 3.878 30 20 CHED C[C@H]1CN(C(=O)c2ccc(CC#N)cc2)[C@H]1c1ccccc1 270333876 MHKCDWJTRWLDLN-KBXCAEBGSA-N 290.366 3.586 30 20 CHED CC[C@H](CC(F)(F)F)N[C@H](C)c1cccc(C#N)c1 545460588 RFJNZECRLNJGRE-ZWNOBZJWSA-N 270.298 3.940 30 20 CHED Cc1c(Cl)cccc1C(=O)N[C@](C)(C#N)C(C)(C)C 278722674 KEVSCBXDMRZSEL-OAHLLOKOSA-N 278.783 3.707 30 20 CHED C=CCN(C(=O)c1cc2cc(C)ccc2o1)C1CC1 271585011 VXYFRZOAKAUZEP-UHFFFAOYSA-N 255.317 3.532 30 20 CHED C=C(C)[C@H](NCc1ncc(CC)o1)c1ccc(F)c(F)c1 548491983 XXDVJEFAHGYWMA-INIZCTEOSA-N 292.329 3.922 30 20 CHED CCCn1ncnc1CSc1ccc(C#N)cc1Cl 279138925 XVGCHPLBIKWNHL-UHFFFAOYSA-N 292.795 3.505 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1c(F)cccc1F)OCC 270015694 HCMFLNXFMGWFLW-SMDDNHRTSA-N 297.345 3.513 30 20 CHED CCC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCOCC1 271919555 DDZKQWUGWOTEJA-ZDUSSCGKSA-N 290.382 3.555 30 20 CHED CCc1ccc([C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 276591979 JTQZRCVOZAOSBW-IFXJQAMLSA-N 294.398 3.505 30 20 CHED Cc1oc2ccc(NC(=O)N(C)C[C@H](C)C#N)cc2c1C 274818361 AZXKWJZWDWQFAW-SNVBAGLBSA-N 285.347 3.673 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](C)Oc2cccc(F)c2)n1 463080606 CBMUSMHAJWHUOV-ZDUSSCGKSA-N 299.349 3.589 30 20 CHED C=C1CCN(C(=O)c2ncsc2-c2ccccc2)CC1 275782640 MTRWAPGSKWXCFO-UHFFFAOYSA-N 284.384 3.602 30 20 CHED C=CCCCc1nc(Cc2cc(C)ccc2C)no1 545610648 VFNZUTDYZDOIHL-UHFFFAOYSA-N 256.349 3.786 30 20 CHED CC(C)CC(CC(C)C)NC(=O)N1CCC(CC#N)CC1 541916491 ICFBCYDPNWWPRO-UHFFFAOYSA-N 293.455 3.782 30 20 CHED C=CCN(C(=O)N[C@H](c1ccccc1)C1CCC1)C1CC1 540111976 KVEBUESYSGGHQI-QGZVFWFLSA-N 284.403 3.888 30 20 CHED C=CCCC(C)(C)NC(=O)c1csc(Cl)c1 620856981 IGRQVEYUTAFHAN-UHFFFAOYSA-N 257.786 3.876 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N[C@@](C)(C#N)C(C)(C)C 289117868 DEUBTDCNLFUYQE-INIZCTEOSA-N 276.380 3.770 30 20 CHED C=CCN(C(=O)c1c(-c2ccccc2)noc1CC)C1CC1 280358154 NQMNXNFJCSJOGQ-UHFFFAOYSA-N 296.370 3.695 30 20 CHED CCC(=O)c1ccc(OCCC(C)(C)C#N)c(F)c1 281953880 QDADJQPFTNCCGV-UHFFFAOYSA-N 263.312 3.737 30 20 CHED Cc1cncc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 375541183 MOTDHHOPVLCWDF-RBUKOAKNSA-N 291.398 3.662 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cccc(N2CCOCC2)c1 467408473 WUXBWTVMKDTMAH-NVXWUHKLSA-N 288.435 3.529 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 464396223 IDTDLWWTWDWFLQ-PTRXPTGYSA-N 297.185 3.720 30 20 CHED C=CCCCCCN(C)Cc1ccc(F)c(C#N)c1 468270331 MCYZJQGDIHMWDX-UHFFFAOYSA-N 260.356 3.876 30 20 CHED CCC(=O)c1ccccc1NC(=O)[C@@]1(C#N)CC12CCCC2 637702717 XJHIAISXLOPUMS-SFHVURJKSA-N 296.370 3.692 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(N2CCCCCC2)cc1 285118868 VIGBXXGVHPFADW-GOSISDBHSA-N 299.418 3.945 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCc2ccccc21 460947307 QTEPIEVWLOFHIG-UHFFFAOYSA-N 282.391 3.672 30 20 CHED C=CC[C@H](CC)N[C@@H](COC)c1ccc(Cl)cc1 467408404 QQZGNOATSHCYRX-GJZGRUSLSA-N 267.800 3.972 30 20 CHED C=C(C)CN(CC)Cc1coc(-c2cccc(OC)c2)n1 639446398 XVSJCXCXSUJIAZ-UHFFFAOYSA-N 286.375 3.748 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 462914259 STTARSDSDSASLH-MELADBBJSA-N 285.347 3.847 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)CCSCC 466376481 IWWSMGPWYRWVDE-QWHCGFSZSA-N 272.458 3.514 30 20 CHED CCN(CCCC1(C#N)CCOCC1)Cc1cccs1 281135319 ADNNAYWBEPRRTC-UHFFFAOYSA-N 292.448 3.671 30 20 CHED CC(C)(C#N)CCSCC(=O)Nc1cc(F)ccc1F 289356653 HOFUDTGNORDGEB-UHFFFAOYSA-N 298.358 3.576 30 20 CHED Cc1ccc(C#N)c(NCc2nc(C(C)(C)C)cs2)n1 287691109 DOUCBFYDPGMOHE-UHFFFAOYSA-N 286.404 3.628 30 20 CHED CC[C@H](C)CN(C)Cc1ccc(C#N)cc1OC(F)F 551521373 AFIGYGUJXXTMDX-NSHDSACASA-N 282.334 3.638 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)CCOCc1ccccc1 292433051 LVXCTULHJUKUMZ-OAHLLOKOSA-N 289.419 3.700 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc2c1OC(C)(C)C2 559699376 JYURGARRUGHZTG-ZDUSSCGKSA-N 288.391 3.876 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccccc1SC 800010525 UCNWLJWDCRLXDO-STQMWFEESA-N 294.416 3.994 30 20 CHED C#Cc1ccc(-c2nc(-c3ccc4ccccc4c3)no2)nc1 809534114 DDFOJEVMUWWHPG-UHFFFAOYSA-N 297.317 3.933 30 20 CHED C=CCCCCCCCNC(=O)Nc1cnn(CC)c1 809871137 SMAUOVZITOCCHR-UHFFFAOYSA-N 278.400 3.551 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C1CC1 477195656 VTQNGWGEHBGHKA-CQSZACIVSA-N 284.403 3.589 30 20 CHED C=CCCCCCCN[C@@H](C(=O)N(C)C)c1ccccc1 806620057 NKQFETRCRIDMJZ-QGZVFWFLSA-N 288.435 3.542 30 20 CHED CCCC[C@H](C)C(=O)OCc1cc(F)ccc1C#N 800275791 DOZWBYHGKVZQCP-NSHDSACASA-N 263.312 3.567 30 20 CHED C=C(C)CCN1CCCC[C@@H]1CCNC(=O)OC(C)(C)C 805764677 DBOZOSXNTWZSBN-OAHLLOKOSA-N 296.455 3.722 30 20 CHED CCCN(CC#N)C(=O)c1sc2ccc(F)cc2c1C 299160430 ZDITXCBTBOULGW-UHFFFAOYSA-N 290.363 3.725 30 20 CHED C[C@H](C#N)OCCS[C@H]1CCCc2ccccc21 801657449 KPSVKRXKGHGZHV-DOMZBBRYSA-N 261.390 3.726 30 20 CHED N#Cc1ccc(Oc2ccc(SC(F)(F)F)cc2)nn1 804839034 VLJHAPXVCBUOIT-UHFFFAOYSA-N 297.261 3.752 30 20 CHED C=CCCCC(=O)Oc1cc(C)c(C#N)c(C)c1C 809037278 SSNSSGKPLSCFLC-UHFFFAOYSA-N 257.333 3.745 30 20 CHED Cc1cc(C#N)ccc1C(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 294969661 YTYPKJFBEHIYPY-HZPDHXFCSA-N 282.387 3.517 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)CCc1cccc(F)c1)C(C)(C)C 807883427 MSIZKZNGTGIGBM-CZUORRHYSA-N 289.394 3.559 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@@H](CC)CC1 564007138 XZTIKJKZVJWNIE-CQSZACIVSA-N 276.428 3.604 30 20 CHED CCSCCC/N=C/c1cc(Cl)ccc1O 800720672 FTSPEKQCJJSEJN-NTEUORMPSA-N 257.786 3.608 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc(-c3ccco3)s2)no1 806556786 ZKFOIKBXZCBLDD-PLNGDYQASA-N 286.312 3.596 30 20 CHED Cc1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)ccc1C#N 475565409 PLCRWVQVUODTTA-GOSISDBHSA-N 294.373 3.995 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 569257226 YRNINEOJMQWCJU-ZACQAIPSSA-N 284.403 3.708 30 20 CHED C#C[C@@H](NC/C(C)=C/c1ccccc1COC)C(C)(C)C 816612345 MSQPPPFKEMSVRW-NKAIQICCSA-N 285.431 3.874 30 20 CHED C=CCN(C(=O)C[C@@H]1C=CCCC1)c1ccccc1 487553423 CDFHBDKBJMPYHL-OAHLLOKOSA-N 255.361 3.952 30 20 CHED CC(C)[C@H]1N(C(=O)[C@@H](C#N)CCc2ccccc2)CC1(C)C 480575236 ZGCSBMFKZATYCQ-IAGOWNOFSA-N 298.430 3.652 30 20 CHED CC#CCCCC(=O)Nc1n[nH]c(C)c1-c1cccc(F)c1 640945145 TVTCJWLESCSKJV-UHFFFAOYSA-N 299.349 3.656 30 20 CHED C#Cc1ccccc1CC(=O)Oc1ccc(Cl)cc1F 812834839 KMERZHCPXDTRQR-UHFFFAOYSA-N 288.705 3.609 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-n2cccn2)cc1C 646036329 ZYEOIISAMUQYQK-UHFFFAOYSA-N 283.375 3.722 30 20 CHED CO[C@@](C)(C=NNc1ccccc1Br)C1CC1 814791298 DJHAMTNELMJFGB-ZDUSSCGKSA-N 297.196 3.662 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(C)nn(C)c2Cl)s1 812494273 GPMMSRWOQLRDFB-WAYWQWQTSA-N 280.780 3.648 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 819938079 PHASQTHSMFQAOG-AGIUHOORSA-N 281.359 3.565 30 20 CHED C#CCC1(C(=O)N(C)[C@@H](C)CCCC)CCCCC1 811960690 YNADJVWXVRKBAF-HNNXBMFYSA-N 263.425 3.997 30 20 CHED CCC(=NNc1ccc(F)cc1OC)c1ccco1 814916256 RUQOHKRXLMQKTH-UHFFFAOYSA-N 262.284 3.654 30 20 CHED CC(C)OCCON=Cc1ccc(-c2ccccc2)o1 812240041 HHQWCAQDOFVQCE-UHFFFAOYSA-N 273.332 3.722 30 20 CHED C#CCC1(OC(=O)c2cc3occc3s2)CCC1 810751970 NHPKYOPRGHTYQO-UHFFFAOYSA-N 260.314 3.597 30 20 CHED C=CCn1c(CC)nnc1N1CCC[C@@H]1c1ccccc1C 574847776 WTWCYXUVHUIMFE-MRXNPFEDSA-N 296.418 3.676 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)CC(C)(C)C1 572652962 VRXQONRUKMEQLX-LLVKDONJSA-N 289.354 3.597 30 20 CHED Cc1cc(CN[C@@H](C)[C@@H]2COc3ccccc32)ccc1C#N 488283676 UBVVIVFJBVCMHE-KSSFIOAISA-N 292.382 3.521 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN2CCC(CCC#N)CC2)o1 575989638 UTSVQLNOPLBBAQ-BBRMVZONSA-N 272.392 3.919 30 20 CHED Cc1cc(C=NOCCC2CC2)cc2cccnc12 814245145 KCTWGFDPKZAUOO-UHFFFAOYSA-N 254.333 3.694 30 20 CHED CC[C@H](C)NN=C/C(C)=C/c1ccccc1COC 814227309 GBEFKKSGHAQILL-OWBSMGGNSA-N 260.381 3.610 30 20 CHED CC(C)(C)C1CCN(N=Cc2cccnc2Cl)CC1 814913032 FUCRVMGUPAVZEN-UHFFFAOYSA-N 279.815 3.827 30 20 CHED COCCSCCCSc1cccc(F)c1C#N 573268015 WWFIQMWASGDEDM-UHFFFAOYSA-N 285.409 3.559 30 20 CHED CCC(=NNC(=S)Nc1ccccc1C)c1ccco1 814713086 ZKTOPRZCYBYYDA-UHFFFAOYSA-N 287.388 3.689 30 20 CHED CC[C@@H](N=c1ccc(C#N)c(C)[nH]1)c1ccc(C)cc1 487932484 RCZARLBPUZYYHA-MRXNPFEDSA-N 265.360 3.555 30 20 CHED COc1cccc(NN=Cc2ccc(SC)s2)c1 814776956 JGCHFOXGUHIUPM-UHFFFAOYSA-N 278.402 3.925 30 20 CHED C#Cc1cccc(N(CC)Cc2cc(C#N)ccc2F)c1 728574537 DVKYRTWEGXHSNF-UHFFFAOYSA-N 278.330 3.705 30 20 CHED C=CCN(CCOC)[C@@H](C)c1ccc(F)c(Cl)c1 484573472 KCCOFIPEQUWXOX-NSHDSACASA-N 271.763 3.675 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 575011408 LPNDYRSZFXWAAG-NOCIGQNYSA-N 296.414 3.626 30 20 CHED N#Cc1c(F)cccc1COc1ccc(F)cc1F 488238148 WIKUNRSXBJUYSG-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1c1cc(C#N)ncn1 572940250 KRUZNQWRJGPPOX-IAGOWNOFSA-N 292.386 3.511 30 20 CHED CCOc1cccc(C=NNCCCc2ccccc2)c1 729145752 CPFBGKJXHUOZBT-UHFFFAOYSA-N 282.387 3.642 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cccc(C)c2C)cc1 577168275 PDWMDFBKDPABMQ-SFHVURJKSA-N 292.382 3.861 30 20 CHED C#Cc1ccc(C(=O)O[C@H](C)c2cccc(Cl)c2)nc1 729013462 YGGRRGIUXYQWMP-LLVKDONJSA-N 285.730 3.634 30 20 CHED C=C(C)CCNc1cccc(-c2nccc(C)n2)c1 571918430 LDRHZJCERHOTIK-UHFFFAOYSA-N 253.349 3.830 30 20 CHED N#Cc1ccc(CSCCCC2CCOCC2)cc1 577144365 QHKJMCVJXPDJCM-UHFFFAOYSA-N 275.417 3.998 30 20 CHED CC1(C)CCCc2cc(C#N)c(N[C@H]3CCCOCC3)nc21 579787779 IFNXTNOYKMIIAD-HNNXBMFYSA-N 299.418 3.548 30 20 CHED CC[C@H](Cc1ccccc1)/N=C\c1ccccc1O 727781527 PDSSSDKHPPGGIV-OKSBFYSISA-N 253.345 3.832 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@@H](C)O1 824722504 URVTVQGSEPQINR-JMSVASOKSA-N 288.391 3.713 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 729072817 XNUCUHVCMWOJNU-CYBMUJFWSA-N 262.349 3.697 30 20 CHED COC(=O)c1cccc(COc2c(C)cccc2C)c1C#N 579983892 KAQYKDAQPFLWMK-UHFFFAOYSA-N 295.338 3.541 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H](OC(C)C)C1 826816797 JCDHKLKXAHHDGZ-MRXNPFEDSA-N 296.455 3.722 30 20 CHED Cn1c([C@@H](C#N)C(=O)CCCC(C)(C)C)nc2ccccc21 729068231 ZEDHYWYFASDKCW-ZDUSSCGKSA-N 297.402 3.966 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(SC)n2)C1 823370090 AHMBONRHCPSKFS-GFCCVEGCSA-N 291.420 3.624 30 20 CHED C=C(C)COC(=O)/C=C\c1ccccc1O[C@@H](C)CC 729870590 FFVROGKHKPJFLS-BMSUMIBZSA-N 274.360 3.996 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccc(F)c2)c1 726433825 USSGVWKWUCOYGI-UHFFFAOYSA-N 270.332 3.616 30 20 CHED N#Cc1ccc(/C=C2\COc3ccc(Cl)cc3C2=O)cc1 588425402 AFEQWYXFMJQPNH-NTUHNPAUSA-N 295.725 3.870 30 20 CHED N#Cc1ccc(OCCCN2CCC[C@H]2C2CCC2)cc1 728289063 IOOWTBDYZSBICO-SFHVURJKSA-N 284.403 3.592 30 20 CHED C=CCC[C@H](C(=O)N=[S@@](C)(=O)C(C)C)c1ccccc1 906196248 TVTKNVCKCHEVDG-YWZLYKJASA-N 293.432 3.769 30 20 CHED Cc1ccc(C)c(N(C(=O)c2cccc(C#N)n2)C(C)C)c1 589763565 BUAWKMYOFCNKSP-UHFFFAOYSA-N 293.370 3.625 30 20 CHED C=C(CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)c1ccccc1 588840791 IUYOUNUUWXZZGL-UHFFFAOYSA-N 296.326 3.923 30 20 CHED C=CC[C@@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 668493999 TXXPYBXYNYHYHY-UKRRQHHQSA-N 292.448 3.783 30 20 CHED C[C@]1(COc2ccc(C#N)cc2)CC1(Cl)Cl 828492100 FSYOANWKJXLLNW-LLVKDONJSA-N 256.132 3.521 30 20 CHED CCCc1coc(NC(=O)C[C@H](CC#N)c2ccccc2)n1 580782283 BKJKCIKSSKBSDE-AWEZNQCLSA-N 297.358 3.653 30 20 CHED CC[C@H](OC(=O)c1cccc(C#N)c1)c1ccc(OC)cc1 731555340 JWRPEDXCTYJATI-KRWDZBQOSA-N 295.338 3.875 30 20 CHED O=C(/C=C\c1cccc(OC2CCCC2)c1)c1ncco1 901519705 RIFSTQZYSQQNJE-HJWRWDBZSA-N 283.327 3.892 30 20 CHED Cc1cc(Br)ccc1[C@@H](C)NCC1(C#N)CC1 903109818 WEIXVFIKKXSXSC-LLVKDONJSA-N 293.208 3.712 30 20 CHED CCC[C@@H](C=NNc1ncnc2sc(C)c(C)c12)OC 834923406 IUZGMDWUNXMAJB-NSHDSACASA-N 292.408 3.521 30 20 CHED Cc1ccc(NN=C2CCc3ccccc3CC2)nc1 834954889 XIPNPOGKFTUCEL-UHFFFAOYSA-N 265.360 3.737 30 20 CHED Oc1cccc2c1CCC2=NNc1cc(F)c(F)cc1F 734301878 TZVCIBYONBZODE-UHFFFAOYSA-N 292.260 3.572 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)CCSC 737064301 RKZAVHKHZPSUPC-CQSZACIVSA-N 298.496 3.906 30 20 CHED CCCC(=NNc1nc(C)cc(C)n1)C1CCCC1 834912217 LTWCOYQCSWRHLV-UHFFFAOYSA-N 260.385 3.852 30 20 CHED C=CCC(C)(C)C(=O)Oc1cnc2ccc(F)cc2c1 839353821 ORWYFBQEAFLUBJ-UHFFFAOYSA-N 273.307 3.882 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@@H](C)C1)c1ccccc1 490271790 NEZQTXMZJRBMFM-GDBMZVCRSA-N 257.377 3.605 30 20 CHED C=C(C)C[C@H](N[C@@H](C)CCC1CCCCC1)C(=O)O 901678560 HBQRFVKRJPYKRN-ZFWWWQNUSA-N 267.413 3.744 30 20 CHED N#CCOc1ccc(CSc2ccc(Cl)cn2)cc1 731158258 ZSRSSQUUANSWGX-UHFFFAOYSA-N 290.775 3.930 30 20 CHED CCc1ccc(C(C)=NNc2ccc(F)cn2)s1 731322034 WFGKQZBBGAYVSQ-UHFFFAOYSA-N 263.341 3.681 30 20 CHED Cc1ccsc1COC(=O)/C=C\c1ccccc1C#N 588395073 KVDIVXGVUPBODR-SREVYHEPSA-N 283.352 3.685 30 20 CHED C#CC(C)(C)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 733979144 RDEAUCUSVFJWMU-RYUDHWBXSA-N 296.197 3.625 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc(C(=O)O)c(F)c1 835009853 FSFOXPSEAXSGBP-SECBINFHSA-N 264.300 3.502 30 20 CHED Cc1cc(C(=O)OCCCCC#N)c(C)n1C(C)C 912957527 CRJALNJYKQUWQS-UHFFFAOYSA-N 262.353 3.537 30 20 CHED C=C(Cl)CNC(=S)Nc1c(CC)cccc1CC 735982660 WAYIRLIAIFZEGJ-UHFFFAOYSA-N 282.840 3.850 30 20 CHED CCOc1ccc(/C=N\C[C@H]2CCc3ccccc32)c(O)c1 731937645 LSFYSZIUKCBOCN-CTFRJJSNSA-N 295.382 3.940 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 674957057 QVOWHGFWXIEDFF-BDAKNGLRSA-N 272.175 3.788 30 20 CHED COC(=O)c1cc(NN=C2CC[C@@H]2C2CCC2)ccc1F 835012331 RYMHPSNSZPUCQO-GFCCVEGCSA-N 290.338 3.590 30 20 CHED C[C@H]1CC[C@H](C(=O)N[C@H](C#N)c2ccccc2Cl)CC1 584235113 HLWMIMSOBNVDKA-LALPHHSUSA-N 290.794 3.847 30 20 CHED C[C@@H]1Cc2ccccc2N(C(=O)CCCCCC#N)C1 588923924 WENLOTVCNNXYGX-CQSZACIVSA-N 270.376 3.686 30 20 CHED N#Cc1c(F)cccc1SCCCO[C@H]1CCCCO1 582133436 WVCSAJDPARPHQI-HNNXBMFYSA-N 295.379 3.723 30 20 CHED C=CCCOCC(=O)Nc1ncc(C2CCCCC2)s1 679854064 OOCUDYQWIYROPR-UHFFFAOYSA-N 294.420 3.722 30 20 CHED CC(C)CC(C)(C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839057141 WMQVNTKVTOBUIO-OLZOCXBDSA-N 251.370 3.684 30 20 CHED CCc1ccc(/C=C2\COc3ccccc3C2=O)s1 731155781 SUCGQBHIYAFDNR-PKNBQFBNSA-N 270.353 3.969 30 20 CHED COc1ccc(CCNN=Cc2ccc(Cl)s2)cc1 737440429 IMBYRGDZPOCDKE-UHFFFAOYSA-N 294.807 3.576 30 20 CHED N#CCC1(COC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 835188924 VZPWQKYRKHZUHI-HZPDHXFCSA-N 283.371 3.807 30 20 CHED COc1ccccc1[C@H]1CCCCN1c1ccnc(C#N)c1 912012890 ILAHUKAQXMMXNR-QGZVFWFLSA-N 293.370 3.693 30 20 CHED C=CCN(C(=O)Nc1cc(F)ccc1C)C(C)C 916706173 KLDFILOECZPFKJ-UHFFFAOYSA-N 250.317 3.562 30 20 CHED CCCCCCCC(=O)NCc1ccc(OC)c(F)c1 915148571 ILLSVUVALIXGEU-UHFFFAOYSA-N 281.371 3.811 30 20 CHED COc1cccc(/C=N\CC(C)(C)c2ccccc2)c1O 914701593 MNYJCEPRTAXTPV-UNOMPAQXSA-N 283.371 3.798 30 20 CHED C[C@H](OC(=O)[C@@H](C)c1ccco1)c1ccc(C#N)cc1 748679479 HHYKAIJFBLWZAG-RYUDHWBXSA-N 269.300 3.559 30 20 CHED COCC(=NNc1ccc(Br)cc1)C(C)C 741457359 HTKXESSBOLFVIF-UHFFFAOYSA-N 285.185 3.519 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cc2cc(Cl)ccc2s1 596896176 WBXOKNNYXWUXMZ-SECBINFHSA-N 292.791 3.786 30 20 CHED CC[C@@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CCCC1 594039705 HZPDDOKRKYLHQT-RDTXWAMCSA-N 298.430 3.822 30 20 CHED C=CCCCCC(C)=NNc1ccccc1S(C)(=O)=O 834957783 QPFKJZROORJVMA-UHFFFAOYSA-N 294.420 3.624 30 20 CHED Clc1ccc2c(c1)CC(=NNc1ncccc1Cl)C2 743437983 ICVAPSHNMZUSAL-UHFFFAOYSA-N 292.169 3.955 30 20 CHED CC(=NNc1cncc(Cl)n1)c1ccc(Cl)s1 914560315 YFGUCIHLYAXQKG-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](CC)c2ccncc2)c1 741487503 VAVXTECIYOHFHY-MRXNPFEDSA-N 295.411 3.501 30 20 CHED Cc1cc(NC(=O)/C=C2/CC[C@@H](C)C2)c(C#N)cc1N(C)C 841240316 PWRVFLBOLKPOPL-OJLMPMFISA-N 297.402 3.618 30 20 CHED CC(CCCCC#N)=NNc1nncc2ccccc12 841605432 YTELVHONYOSBSI-UHFFFAOYSA-N 267.336 3.502 30 20 CHED CC(=NNc1cncc(Cl)n1)c1cc(C)c(C)cc1C 914557873 ZLTOCZIFTSKOQC-UHFFFAOYSA-N 288.782 3.891 30 20 CHED CCCCCCCC(=O)N1C[C@H](C)S[C@H](C)C1 742772550 LMUYCGGTXXEOTR-BETUJISGSA-N 257.443 3.699 30 20 CHED CC/N=C(/NCC)NCc1ccc(-c2ccccc2)c(C)c1 849097926 MXYDELQUFQJDCC-UHFFFAOYSA-N 295.430 3.737 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCCCCC#N 914619748 FAKFDUXPXHXSNR-OWCLPIDISA-N 295.423 3.701 30 20 CHED CCn1cc(/C=C2\CCc3ccc(SC)cc3C2=O)cn1 843274347 XDNVSNOUAQITBQ-RIYZIHGNSA-N 298.411 3.837 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1CCCOc1ccc(C#N)cc1 743854226 PTVLHPXLHQAHSW-SZVBFZGTSA-N 298.430 3.980 30 20 CHED Fc1ccc(NN=Cc2ccc(N3CCCCC3)o2)cc1 917563335 MTUKGIZVQMYQNI-UHFFFAOYSA-N 287.338 3.855 30 20 CHED Cc1ccc(-n2ncc(N[C@H]3CC[C@@H](C#N)C3)c2C)cc1 593725454 LTOSCOUPFNJCJQ-CABCVRRESA-N 280.375 3.593 30 20 CHED C[C@@H](c1ccccc1)N(C)CCc1ccc(C#N)cc1 595290647 XYEJRISLFIYWBB-HNNXBMFYSA-N 264.372 3.794 30 20 CHED C#CCN(C(=O)CCc1c(Cl)cccc1Cl)C1CC1 846969102 WXKVIGISRCBELW-UHFFFAOYSA-N 296.197 3.550 30 20 CHED COc1ccc(CNN=Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 917547076 IKUMMOVMIBXHFH-BLLLJJGKSA-N 284.359 3.535 30 20 CHED C[C@@H](CCc1cccn1C)/N=C/c1cc(Cl)ccc1O 741845868 YLZQYVDGZOUZOB-HWQJWEFDSA-N 290.794 3.824 30 20 CHED CC(C)CC(Cc1cccc(Cl)c1)=NN(C)C[C@@H](C)O 841651077 JMYFXFKWCGSTQF-CYBMUJFWSA-N 296.842 3.597 30 20 CHED C[C@H]1CCC[C@@H](C)C1NC(=O)/C=C\c1ccccc1C#N 914490687 DKOUJEAMAGWTQQ-JBLMZIOSSA-N 282.387 3.512 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1C(=O)CC(C)(C)C#N 597886668 TZKJJWHTRGYDHM-OAHLLOKOSA-N 284.403 3.907 30 20 CHED N#C[C@@H](C(=O)CC1CCCC1)c1nc(C2CC2)cs1 842937594 FXHOSTAYJVOZHS-LBPRGKRZSA-N 274.389 3.777 30 20 CHED Cc1ccnc(C)c1NC(=O)CC1(C#N)CCCCC1 598848711 YNXGDVYGWNNUEN-UHFFFAOYSA-N 271.364 3.501 30 20 CHED C#C[C@H](C)OC(=O)CCn1c2ccccc2c2ccccc21 744179130 YCYDBHOHJYCPOH-AWEZNQCLSA-N 291.350 3.750 30 20 CHED CC[C@@H](C/N=C\c1cccc(O)c1O)c1ccccc1 743340823 LOJBKFOQSZHVGC-CYUIRQCWSA-N 269.344 3.711 30 20 CHED N#CC1(N(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C2CC2)CCC1 598833839 MIUVYMZZCGGJDC-HUUCEWRRSA-N 286.419 3.640 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCc2cc(OC)ccc2C1 680352326 LUPWQRMCVUBZSJ-IAGOWNOFSA-N 273.420 3.887 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccccc1C1CC1 684767837 UCDCUXKTNWMKQH-WMZOPIPTSA-N 271.404 3.635 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 920376507 JZHJQCLXXFTWON-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1cn(C)c2ccccc12 926704118 XEBVVRUXDHNLCE-AWEZNQCLSA-N 283.419 3.639 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@@]1(C)CC1(Cl)Cl 854112116 SAXOGMISCHYPOT-GFCCVEGCSA-N 293.238 3.614 30 20 CHED C=C[C@H](OC(=O)c1cc(C2CC2)no1)c1ccccc1 857658487 IOULORSZQMLQTR-AWEZNQCLSA-N 269.300 3.636 30 20 CHED C#C[C@](C)(CC)NC[C@@H](OC(C)C)c1ccccc1 852103464 IPMFMXIVUGQABH-IAGOWNOFSA-N 259.393 3.544 30 20 CHED C#Cc1cccc(N(C(=O)Cc2ccc(C)o2)C(C)C)c1 754030046 RRMFHHQYSHFXNK-UHFFFAOYSA-N 281.355 3.553 30 20 CHED C#CC[C@H](NC(=O)N(CC)C[C@H](C)CC)c1ccccc1 757760995 LTKKBFYYBHMCGO-WBVHZDCISA-N 286.419 3.829 30 20 CHED N#CC1(CN[C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 926875393 ZFPKIPCADHMJOU-MRXNPFEDSA-N 297.789 3.718 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)c1cccc(F)c1)c1ccccc1 757579794 PNBDZUCNIPASGZ-KDOFPFPSSA-N 295.357 3.810 30 20 CHED N#Cc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)ccc1F 756266747 LGUKEOTZEMHYPB-MLPAPPSSSA-N 298.704 3.843 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 754661719 RIMJKZUQYXRPPC-SJORKVTESA-N 283.415 3.879 30 20 CHED C/C(=C\C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 857579171 BKQCUWXBGCJFKF-XYOKQWHBSA-N 297.358 3.750 30 20 CHED CC(C)[C@H](CC(=O)N1CCC[C@H](C#N)C1)c1ccccc1 928224276 JIQLOGKVBJGCJB-WBVHZDCISA-N 284.403 3.578 30 20 CHED CCCCCCCCCNC(=O)N[C@@H]1CCOC(C)(C)C1 754131797 UISTXUAAVNWWCX-OAHLLOKOSA-N 298.471 3.994 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC(F)C1 753074228 WZDMKXATBANLTF-ZDUSSCGKSA-N 257.393 3.944 30 20 CHED C=CCN(CC=C)C(=O)/C(C)=C\c1cccc(Cl)c1 758037799 MPEVRCABYHBVAD-QBFSEMIESA-N 275.779 3.944 30 20 CHED C#CCCCC(=O)N1CCc2ccccc2[C@@H]1C(C)C 758702541 SFQFKWAYOYGKMT-SFHVURJKSA-N 269.388 3.572 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCc1ccc(F)cc1F 754074980 HJGKALFSODAISL-VURMDHGXSA-N 299.276 3.593 30 20 CHED CSCC1(Cc2noc(-c3cc(C#N)ccc3C)n2)CC1 924119910 SVQQPELCAJYMKA-UHFFFAOYSA-N 299.399 3.602 30 20 CHED CCCc1ccc(C=NNCc2ccc(C#N)cc2)s1 857211312 FIJRNJSQPJQEOE-UHFFFAOYSA-N 283.400 3.696 30 20 CHED C[C@@H]1CCCCN1N=C1CCC[C@H](C(F)(F)F)C1 853380218 QMCRTEMYWUQIJY-MNOVXSKESA-N 262.319 3.969 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ccnnc1C 753043885 SRKOUKQZSHQDLY-ZDUSSCGKSA-N 277.412 3.511 30 20 CHED C[C@@H]1CC/C(=C/C(=O)O[C@H](C)c2ccc(C#N)cc2)C1 753644678 RVUZNSKMIAXNSP-WHJZCPEBSA-N 269.344 3.909 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CCc2ccc(Cl)cc21 858230412 XTWIPXRXVIDODY-QMTHXVAHSA-N 278.783 3.591 30 20 CHED C=CCN1CCC(c2nc(C(C)(C)C)cs2)CC1 750063089 VPTYWJBINUQFKJ-UHFFFAOYSA-N 264.438 3.806 30 20 CHED C#CCOCCN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 753771021 USNHGLAJFPXRIV-OAHLLOKOSA-N 299.336 3.642 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2cc(Cl)ccc2C1 935610121 MBJMOEMRLXCDLU-LBPRGKRZSA-N 277.795 3.827 30 20 CHED C=C(C)CN(C)C(=O)c1cc2c(N(C)C)cccc2s1 935275959 UNSFMXPBPWQMQY-UHFFFAOYSA-N 288.416 3.615 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCn2c(Cl)ccc2[C@H]1C 936008646 ROOJXRBVSNFDDC-NEPJUHHUSA-N 280.799 3.647 30 20 CHED C#CCC(C)(C)C(=O)Nc1cnc(-c2ccccc2)s1 767121225 AVCIMKRWEVJJNF-UHFFFAOYSA-N 284.384 3.798 30 20 CHED CCOc1ccc(NCCCOc2cccc(C#N)c2)cc1 763239918 BIWDLYKMDUQHPZ-UHFFFAOYSA-N 296.370 3.838 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(F)c(F)c1F 930356030 BDKKALXHFWUPGX-MRVPVSSYSA-N 257.255 3.645 30 20 CHED Cc1ccc(CCC(=O)Oc2ccc(C#N)cc2F)c(C)c1 769738030 ZJACBCKDJAWOCS-UHFFFAOYSA-N 297.329 3.852 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNCCOCC(F)(F)F 765597546 AIYHXKXNNBCFFZ-VXGBXAGGSA-N 294.361 3.603 30 20 CHED Cc1cc(C=NOCC(F)(F)F)c(C)n1CC(C)C 764845819 ZOIZGVOPRJBMMX-UHFFFAOYSA-N 276.302 3.674 30 20 CHED CC1(c2ccccc2)CCC(=NNc2cnccn2)CC1 766692187 RALCVIWGFZXZBW-UHFFFAOYSA-N 280.375 3.776 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2ccc(Cl)cc2)c1 766503679 XUZBIOUFYCYXCP-QPJJXVBHSA-N 290.702 3.616 30 20 CHED CCCC(=NN[C@H]1CCCOC1)c1cc(C)sc1C 863108638 OGZFSFFRQUCTJE-ZDUSSCGKSA-N 280.437 3.638 30 20 CHED C=CC[C@H]1N(C(=O)Cc2csc(C)n2)CCCC1(C)C 767229021 QRHWVSTZVIKFPD-CQSZACIVSA-N 292.448 3.587 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C(F)=C1CCCC1 763029324 JPANJOQATIDDHW-UHFFFAOYSA-N 258.296 3.603 30 20 CHED C#CCCCCc1nc(-c2cccc(OCCC)c2)no1 761821857 HDKFDPFSFWUDAW-UHFFFAOYSA-N 284.359 3.871 30 20 CHED CC(C)(O)CNN=C1CC=C(c2ccc(Cl)cc2)CC1 863136935 PMYNUHZYYJXSFG-UHFFFAOYSA-N 292.810 3.624 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1O 767259352 RJDRQILNKJJDCE-ZDUSSCGKSA-N 287.403 3.733 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ncccc2Cl)C1 768359307 CKWMSLDSTZBBPB-QWRGUYRKSA-N 251.761 3.959 30 20 CHED CC#CCCOC(=O)c1c(Cl)cccc1Cl 765389050 HOWDQVSAMPECNR-UHFFFAOYSA-N 257.116 3.564 30 20 CHED CCN(Cc1ccc2ccc(Cl)cc2n1)[C@H](C)C#N 878989117 SDMJUIGWWZWKDA-LLVKDONJSA-N 273.767 3.622 30 20 CHED COc1cc(O)ccc1C=NNc1cccc(Cl)c1F 1115899019 IZRFKYFVHILORB-UHFFFAOYSA-N 294.713 3.639 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccc(C#N)c(F)c1 776729202 ROUQVYHCUBUEAL-VOTSOKGWSA-N 297.333 3.614 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccc3c(c2)COC3)n1 777888271 KSNXOBINCDGSFA-UHFFFAOYSA-N 296.395 3.893 30 20 CHED O=[N+]([O-])c1ccccc1/C=C\C=NOCCC(F)(F)F 777460571 QCUVRVJKZMRDMF-AFGBRBITSA-N 288.225 3.563 30 20 CHED C[C@H](CCC#N)CNCCc1ccc(N2CCCCC2)cc1 876955559 ZGPCURIKGYTQHV-QGZVFWFLSA-N 299.462 3.749 30 20 CHED CC(C)n1ccc(COc2nc(C(C)(C)C)ccc2C#N)n1 1119339718 AXRBFWBHOTUHQJ-UHFFFAOYSA-N 298.390 3.607 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(Cl)cc1C#N 774284703 PSOXXFXIQCJGJU-UHFFFAOYSA-N 297.745 3.704 30 20 CHED COc1ccsc1/C=C\C(=O)c1cccc(F)c1F 776268830 VUPCPJCJILPSET-WAYWQWQTSA-N 280.295 3.931 30 20 CHED Cc1cc(C)c(NN=Cc2cnc([C@H](C)O)s2)c(C)c1 773059493 RUQJLIHIJDYZLU-LBPRGKRZSA-N 289.404 3.568 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)cc(Cl)c1F 876461206 OFONHWBQCONBBF-UHFFFAOYSA-N 292.137 3.664 30 20 CHED C=CC[C@H](NC[C@@H](Cc1ccccc1)OC)c1ccncc1 877046067 HPJWOKRLVDYKLO-MOPGFXCFSA-N 296.414 3.546 30 20 CHED CC(CCc1ccc(O)cc1)=NOCCC(F)(F)F 777458747 BNXQSMBVSOOQND-UHFFFAOYSA-N 275.270 3.670 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(OCC(C)(C)O)cc1 777692642 LWIKIMLOZAPGNW-CQSZACIVSA-N 277.408 3.993 30 20 CHED C=CCN(C(=O)CCc1cc(C)cc(C)c1)C(C)C 771464003 NFILWDOHHVUWGF-UHFFFAOYSA-N 259.393 3.659 30 20 CHED C#CCCCCCC(=O)NCC1(CC(C)C)CCC1 779931701 XXZQKDGUIUDKIY-UHFFFAOYSA-N 263.425 3.903 30 20 CHED C=CCCC[C@@H](NC1CCN(CC#N)CC1)c1ccccc1 883187312 LGYUBAVPWRGWFF-LJQANCHMSA-N 297.446 3.662 30 20 CHED FC(F)(F)c1ccccc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 774596769 LRXIIPGPZFMKSU-COPLHBTASA-N 282.309 3.818 30 20 CHED CCCCCCCCCNC(=O)[C@@H]1CCO[C@H](C)C1 776462616 YDMBSBDRWSEGAM-HUUCEWRRSA-N 269.429 3.668 30 20 CHED FC(F)(F)c1ccccc1C=NNC1CCCCC1 786039429 BNFDJGQHOIEOJM-UHFFFAOYSA-N 270.298 3.962 30 20 CHED CC(=NNCCc1ccncc1)c1cc(C)c(C)cc1C 789085697 LZCFHOUXMMQUOG-UHFFFAOYSA-N 281.403 3.563 30 20 CHED CCC[C@@H](C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887704702 PQUYVDHDOCAWMM-CQSZACIVSA-N 284.403 3.700 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)OCCCC(C)(C)C#N 783746268 SEKFMNFFEHZMBJ-CYBMUJFWSA-N 291.366 3.877 30 20 CHED C[C@H](CCC#N)CN(Cc1ccco1)Cc1ccccc1O 787770237 PDFQZVMZRNCREY-OAHLLOKOSA-N 298.386 3.927 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H](F)C(C)C)c1ccc(F)c(F)c1 784165260 JTMBJEJTAWMPCT-ZIAGYGMSSA-N 285.309 3.692 30 20 CHED Cc1ccnc(NC[C@@H]2CCCC(C)(C)C2)c1C#N 1472807707 RPUVAVHAXKPKDH-CYBMUJFWSA-N 257.381 3.890 30 20 CHED Clc1ccc(C2CC(=NN=c3cc[nH]cc3)C2)cc1 783867300 MXAVYFAQMLZITC-UHFFFAOYSA-N 271.751 3.502 30 20 CHED CC(C)=CCC[C@@H](C)CC=NN[C@H]1CCCOC1 780263019 QBKQJLNXYDMGFZ-CABCVRRESA-N 252.402 3.513 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC(C)(C)C2)o1 783837426 KMIBJDSWASUZBB-UHFFFAOYSA-N 260.341 3.648 30 20 CHED C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2[C@H](C)C1 785449303 IGYHHDGRDWMZMG-DYVFJYSZSA-N 257.377 3.735 30 20 CHED C#CCCCC(=O)NCc1cccc(-c2csc(C)n2)c1 899001507 FRTFVTODQYIAJY-UHFFFAOYSA-N 298.411 3.538 30 20 CHED C#CCn1ccc(CN(CC)C[C@@H](CC)CCCC)n1 789330180 ZFGVOLIHRBJXBG-INIZCTEOSA-N 275.440 3.555 30 20 CHED C#Cc1ccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)cc1 891313814 ZHDGPINXMVTBHB-LLVKDONJSA-N 282.170 3.580 30 20 CHED Cc1cccc(C(=O)/C=C\c2cnn(C3CCC3)c2)c1 899340497 DOQNPZVSIDYCNP-HJWRWDBZSA-N 266.344 3.813 30 20 CHED C=C1CCC(C(=O)NC[C@H]2CSc3ccccc32)CC1 891250233 BVSWMKQOVISBTP-AWEZNQCLSA-N 287.428 3.739 30 20 CHED C#C[C@H](NC(=O)c1ccc(Cl)cc1SCC)C(C)C 799046840 MUFKHCIFQBHUIX-ZDUSSCGKSA-N 295.835 3.840 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](CC)c1ccccc1OC 798363621 CKAKOJGIPGNYHF-DZGCQCFKSA-N 290.407 3.800 30 20 CHED CCCCCCCNC(=O)Cc1c[nH]c2ccccc12 703718138 BGNPJUHFZUIUFL-UHFFFAOYSA-N 272.392 3.797 30 20 CHED C[C@H](NN=Cc1ccnc2ccccc12)C(C)(C)C 793111599 KAXNPRMCWXVORH-LBPRGKRZSA-N 255.365 3.593 30 20 CHED CC[C@@H](C)CON=CC1CCN(C(=O)OC(C)(C)C)CC1 793143856 APXQDFCZRKZRPS-CYBMUJFWSA-N 298.427 3.682 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(-c2ccccc2)no1 796462230 HHOVVUWVCQYOAD-UHFFFAOYSA-N 285.343 3.987 30 20 CHED Cc1cc(NC(=O)c2sccc2C#N)ccc1Cl 1130481933 IKWDYNQGKHNIJG-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 1132219620 NBSUCBZFWACBJO-DOMZBBRYSA-N 274.339 3.852 30 20 CHED C[C@@H](C=NNCCC(F)(F)F)CCc1ccccc1 794552160 IYBMBDHOPLDEPU-GFCCVEGCSA-N 272.314 3.783 30 20 CHED N#CCN(C(=O)[C@@H](F)CC1CCCCC1)C1CCCC1 793538110 FTIJKOLNXVIMQC-HNNXBMFYSA-N 280.387 3.590 30 20 CHED CC(=NNc1nccn1C)c1cc(Cl)ccc1Cl 790299869 LHYQLHJOYQCYTK-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C[C@@H](NN=Cc1cc(Cl)ccc1F)C(C)(C)C 793110744 BKTUPYLYPHOCMQ-SECBINFHSA-N 256.752 3.837 30 20 CHED COc1ccc(O)c(/C=N\CCc2ccc3[nH]ccc3c2)c1 799742700 GKESRLJWHKPXRA-UNOMPAQXSA-N 294.354 3.544 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C/c1ccc(C#N)c(C)c1 799896452 ILEMQNXLJSCVHK-CXUHLZMHSA-N 288.350 3.976 30 20 CHED CC(=NNc1cccc(F)n1)C1CCC(F)(F)CC1 795006016 BHRKWTYZQKUQLP-UHFFFAOYSA-N 271.286 3.834 30 20 CHED CC1(C)CCC(=NNc2cccc(F)c2[N+](=O)[O-])C1 790308789 NZZQILNJEANALM-UHFFFAOYSA-N 265.288 3.712 30 20 CHED CCN(C[Si](C)(C)C)[C@H](C)c1ccc(C#N)cc1 729267334 RGPNXVDUPZQMLZ-CYBMUJFWSA-N 260.457 3.819 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cccc(OCC#N)c2)cc1 1214682498 ZTNSFJBQDCMASL-UHFFFAOYSA-N 295.342 3.566 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccsc1 695686061 PDTNUHGQIZEHFH-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 767044310 KULXJCIOULLXMH-RBSFLKMASA-N 261.409 3.511 30 20 CHED C=C(C)COC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1318015723 YTNQUSFSYXMSSQ-UHFFFAOYSA-N 299.248 3.799 30 20 CHED Cc1ccccc1C(F)(F)C(=O)Nc1sccc1C#N 1319602035 ZQISAFSHQDMZFE-UHFFFAOYSA-N 292.310 3.659 30 20 CHED CC[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@@H](CC)O1 1171321220 NDOHKLFUBSULDO-HZPDHXFCSA-N 278.440 3.740 30 20 CHED CC(C)c1nc(NCC(C)(C)C#N)cc(C(C)(C)C)n1 1324642592 XSMBYWBMXSWXHI-UHFFFAOYSA-N 274.412 3.859 30 20 CHED Cc1ccc(C=NOC(C)(C)C)c(-c2cnn(C)c2)c1 1321327523 ZBDPEWQWMFJULO-UHFFFAOYSA-N 271.364 3.545 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnn(C2CCCC2)c1C 1329026995 KXVJEMOGHYSAKS-UHFFFAOYSA-N 289.423 3.781 30 20 CHED Cc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)s1 1322477400 SUEDSZSHIZANNF-UHFFFAOYSA-N 267.313 3.645 30 20 CHED Cn1cc(/C=C\c2cc(C#N)ccn2)c(C2CCCCC2)n1 1326258384 IGPMTAVGEQYGBS-FPLPWBNLSA-N 292.386 3.905 30 20 CHED Cc1cccc(Cc2nnc(-c3ccc(C#N)cc3)o2)c1 1328349337 SJSWQABOBZYIJA-UHFFFAOYSA-N 275.311 3.508 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C(F)F)cc1F 1337581677 VRCOXICJHCUXKI-SNVBAGLBSA-N 284.281 3.528 30 20 CHED Cc1cc(C#N)nc(N2CCS[C@@H](c3ccccc3)C2)c1 1333748214 OLPYMPDYKOMADL-MRXNPFEDSA-N 295.411 3.556 30 20 CHED C=CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1338393709 HPMJVEQMUWKHJA-ZDUSSCGKSA-N 276.339 3.588 30 20 CHED Cc1cscc1NC(=O)Nc1ccc(OCC#N)cc1 1253427845 MVFPZALDMBFZLH-UHFFFAOYSA-N 287.344 3.603 30 20 CHED C=C[C@@H](C(=O)Nc1ncsc1C1CC1)c1ccccc1 1263897971 SQCGFMLXTVATQX-CYBMUJFWSA-N 284.384 3.929 30 20 CHED CCc1cc(C(=O)O[C@H](C)CC(C)(C)C#N)cc(Cl)n1 1263555635 UFPLYHIPBGSQEL-SNVBAGLBSA-N 294.782 3.783 30 20 CHED C[C@@H](CC(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1347125646 WXICFVVDTUSVMQ-GXTWGEPZSA-N 282.318 3.591 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@H]1CCC 1342064434 CIGXSVFSAGIFHO-LLVKDONJSA-N 284.354 3.561 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc(C(C)(C)C)oc1C 1341176024 VLAYILJLNDHTLL-NSHDSACASA-N 276.380 3.507 30 20 CHED C[C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 108886742 FVSIABFAMYRGKH-NWDGAFQWSA-N 273.336 3.705 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)c1ccccc1C 1352312776 XCMLGUJYKPJATN-UHFFFAOYSA-N 278.355 3.842 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2F)c(F)cc1F 1275425955 ONFFEFLOVZQAPI-UHFFFAOYSA-N 290.244 3.536 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1 1436648656 IDONDNZOCFVDCQ-RZLSGREXSA-N 275.392 3.828 30 20 CHED N#Cc1ccccc1N(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)C1CCC1 1353519088 WBOKPFOVNONCBD-KEYYUXOJSA-N 294.398 3.880 30 20 CHED Cc1cnc(CNc2ccc(C#N)c(C(F)(F)F)c2)s1 221174027 GDUPMBLZJHVYHM-UHFFFAOYSA-N 297.305 3.954 30 20 CHED CCC[C@H](NC(=O)c1ccc(F)c(C#N)c1)C(C)(C)C 1526013349 WSYNFVBEDXCIPG-AWEZNQCLSA-N 276.355 3.642 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C#N)ccc1C 1456712166 JQFHHNNXSCGOKS-DYVFJYSZSA-N 284.403 3.908 30 20 CHED Cc1nc(C#N)cc(N2C[C@H](C(C)(C)C)c3ccccc32)n1 1458345867 NBWSWEQKFZCXPP-HNNXBMFYSA-N 292.386 3.938 30 20 CHED Cc1nc(N[C@H](C)COCC2CCCCC2)ccc1C#N 1458623412 RDKWSCVJEJFKJJ-CYBMUJFWSA-N 287.407 3.659 30 20 CHED N#Cc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 113734640 GCXNGUOJGGFLOS-UHFFFAOYSA-N 281.702 3.929 30 20 CHED C=CCCC[C@H](NCc1c[nH]c(C(=O)O)c1)c1ccccc1 1602873009 ONVFOXMZBMADRT-INIZCTEOSA-N 298.386 3.900 30 20 CHED C=C(Cl)CNC(=O)c1cc(-c2ccccc2)oc1C 1465283448 BTEBNXMNJONLQM-UHFFFAOYSA-N 275.735 3.737 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1ccc2occc2c1 1602231365 ZFTFZMXTYWXXQL-UHFFFAOYSA-N 298.273 3.716 30 20 CHED CC(C)c1cccc(Nc2ccc(C(=O)O)nc2C#N)c1 1609720941 ZHVHHGDQZSFADI-UHFFFAOYSA-N 281.315 3.518 30 20 CHED C=C(C)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 1602772433 XZIXCAYEKFRQFZ-UHFFFAOYSA-N 281.311 3.670 30 20 CHED CCC1(CNc2nc(C(F)(F)F)ccc2C#N)CC1 226808138 NYCRKOCLABCLDW-UHFFFAOYSA-N 269.270 3.574 30 20 CHED Cc1cc(C#N)nc(NC(C2CCCC2)C2CCCC2)n1 1612954434 CIDAQNLYECXQGU-UHFFFAOYSA-N 284.407 3.818 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NCc1ccc(C#N)s1 1473792223 MODYMXKCQHSCKU-QGZVFWFLSA-N 284.428 3.977 30 20 CHED CC1(C)CCC[C@@H](NC(=O)Nc2sccc2C#N)C1 1626074292 OTJDRDQCHRHUHV-LLVKDONJSA-N 277.393 3.710 30 20 CHED C[C@@H](CNC1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1621468625 PVGDKUUOROQYSW-HNNXBMFYSA-N 299.462 3.799 30 20 CHED N#Cc1cccnc1N(CCc1ccccc1)C1CCCC1 1639986015 WLVSTGVKLBIERO-UHFFFAOYSA-N 291.398 3.945 30 20 CHED Cc1[nH]nc(NC[C@H](C)CC2CCCCC2)c1C#N 1560497548 VHNINDVVXIKMTL-LLVKDONJSA-N 260.385 3.608 30 20 CHED C=C(Br)CNc1nc(Cl)nc2ccccc12 229317017 OPRFKSVHYRDPDY-UHFFFAOYSA-N 298.571 3.604 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)ccc1[N+](=O)[O-] 229693844 ZPGVYELCOFTIMY-UHFFFAOYSA-N 261.325 3.645 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNc1ncc(C#N)cc1F 1642270540 UJJBQYIWZLHWGO-DGCLKSJQSA-N 261.344 3.721 30 20 CHED CC(C)(C#N)CCC[S@@](=O)CC1CCCCC1 177113619 ZLCABXVBKPECIY-QGZVFWFLSA-N 255.427 3.645 30 20 CHED Cc1cc(C)cc(C(=O)Nc2cc(C#N)ccc2F)c1 1583534984 ZXDSRLADOKIREB-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1Cl)c1csnn1 1651873603 NUXGBQTUPZKDQZ-SSDOTTSWSA-N 281.793 3.916 30 20 CHED CCS[C@@H]1CCCC[C@@H]1Nc1cc(C)c(C#N)cn1 1651605095 DCKYRNURESNVEZ-UONOGXRCSA-N 275.421 3.738 30 20 CHED C=C[C@@H](C)ON=Cc1csc2ccc(C(=O)O)cc12 1776090274 AUOMEAUBXHDNBS-SECBINFHSA-N 275.329 3.525 30 20 CHED C=CC(C)(C)CCCNc1ccc([N+](=O)[O-])c(C(=O)O)c1 1776147387 GFSCKLYRPFOSLL-UHFFFAOYSA-N 292.335 3.697 30 20 CHED CCCc1ccc(/C=C\c2nc(C(=O)O)ccc2C#N)s1 1776833286 QGDIEIIMKJFPKH-CLFYSBASSA-N 298.367 3.836 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cc(Cl)ccc1F 135157185 FGVJDUBQYWISQR-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCN(C)C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 161719829 HMVOWCPBMWNBJZ-CVEARBPZSA-N 281.440 3.787 30 20 CHED N#Cc1cccc(C(=O)CSc2ccc(F)cc2)c1 160452494 WTEISBMSHWLYML-UHFFFAOYSA-N 271.316 3.672 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1cccc2ccccc12 151560830 ABUYVGFLGIRJED-LBPRGKRZSA-N 289.338 3.531 30 20 CHED N#Cc1ccc(CNc2cccc(OCCF)c2)s1 152094567 MFURWFLUCCWHCY-UHFFFAOYSA-N 276.336 3.580 30 20 CHED CC(=O)c1ccc2ccccc2c1OC[C@H](C#N)CCC#N 152750503 DXQMJRSDYSYMMT-AWEZNQCLSA-N 292.338 3.865 30 20 CHED C=CCNC(=O)Nc1ccc(NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 156128359 ZJSCFDFJELQZIW-KKUMJFAQSA-N 297.402 3.618 30 20 CHED C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(C#N)cc1 154505462 DPJRVUHEKUNZPY-PXAZEXFGSA-N 284.334 3.621 30 20 CHED Cc1cccc(CC(=O)N(C)c2cc(Cl)ccc2C#N)c1 156781150 ZIXKGFAPTBPORN-UHFFFAOYSA-N 298.773 3.726 30 20 CHED C#Cc1ccc(CNc2cccc3cnccc23)cc1 809632488 RHBHBEZVWHUHDM-UHFFFAOYSA-N 258.324 3.828 30 20 CHED C=C[C@H](C)NCc1ccc(Br)c(Cl)c1 235509698 SRHPLAJGWWOTRA-QMMMGPOBSA-N 274.589 3.767 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1ccccc1F 42336068 MJIZFHSFBFZCNJ-NSHDSACASA-N 272.298 3.687 30 20 CHED C=CC[C@H](C)N[C@H](CC)c1ccc(OC)c(OC)c1 163330115 RAJXAYLAOCYNDV-GXTWGEPZSA-N 263.381 3.709 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(C2CC2)no1 279282721 KIHOFBMFHUVRSP-UHFFFAOYSA-N 283.375 3.525 30 20 CHED CCC[C@H](CC)N[C@H](C)c1ccc(OCC#N)cc1 50401811 ASQRWLJLPTYOKW-HIFRSBDPSA-N 260.381 3.818 30 20 CHED CN(C(=O)c1cc(Cl)ccc1F)c1ccc(C#N)cc1 61954867 KIOIRVFFENBLIH-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CC[C@@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)C1 71113568 DBWNPFYTPPXKMH-ZIAGYGMSSA-N 258.365 3.970 30 20 CHED N#CCCSCc1ccccc1Br 308251880 GARZNIFALMYGHQ-UHFFFAOYSA-N 256.168 3.596 30 20 CHED CCOc1ccc(Nc2ncc(C#N)cc2Cl)cc1F 513597763 MHUAPHSGFBSBGN-UHFFFAOYSA-N 291.713 3.888 30 20 CHED C=C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)O 312230886 FPTGLISVOQVPIN-HNNXBMFYSA-N 269.300 3.530 30 20 CHED N#Cc1ccc(OCC[C@@H](O)c2ccccc2)cc1Cl 312219920 DLZSJDQUWCLUHR-MRXNPFEDSA-N 287.746 3.714 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Br)cs1 410122379 BXNFVUSSOSKKRI-VIFPVBQESA-N 288.210 3.595 30 20 CHED N#CCc1ccc(NCc2cccc(O)c2Cl)cc1 328189055 CNAGYYNGTIIJCC-UHFFFAOYSA-N 272.735 3.724 30 20 CHED CC(C)CN(CCC#N)Cc1cc(Cl)ccc1[N+](=O)[O-] 93097819 YPLJFYIZFDNJMU-UHFFFAOYSA-N 295.770 3.620 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H](O)CC1 378718134 DDHIHJPGQHKDEO-OAHLLOKOSA-N 269.429 3.501 30 20 CHED C=CCCCCNC(=O)c1cccc(C(F)(F)F)c1F 380613443 QKPPSVQQXRYKRB-UHFFFAOYSA-N 289.272 3.931 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(CC#N)cc1 595858064 RPFUFLMAXYYMPJ-FUCXHRTASA-N 254.377 3.516 30 20 CHED C=CCC(C)(C)CNCc1ccc(OC(F)F)cc1 389158580 YDIWZMQOJABCNP-UHFFFAOYSA-N 269.335 3.980 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(O)ccc1Cl 398257264 QVZUXWDLELLYHR-SNVBAGLBSA-N 267.756 3.520 30 20 CHED Oc1ccc(C=NNc2ccc(F)cc2)cc1Cl 921251518 PURRGGHNPHXVJI-UHFFFAOYSA-N 264.687 3.631 30 20 CHED C#CCN(CCCCC1CCOCC1)Cc1ccccc1 796640417 YZZVRDXWTZMNCN-UHFFFAOYSA-N 285.431 3.719 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccccc1F 56212645 KHIQVYHGMBEFRZ-UHFFFAOYSA-N 298.317 3.737 30 20 CHED C[C@H]1CCC[C@](CNc2cccc(F)c2C#N)(N(C)C)C1 108643659 KDCHTXPQDFUCBX-GUYCJALGSA-N 289.398 3.620 30 20 CHED C=CCCCC(=O)N1CCO[C@H](c2ccccc2Cl)C1 175568141 CHJTZPBUCYAUOG-HNNXBMFYSA-N 293.794 3.596 30 20 CHED N#Cc1ccc(CN(C2CC2)[C@@H]2C=CCCC2)cc1 171735262 OQXYSVFTEIDJLW-MRXNPFEDSA-N 252.361 3.631 30 20 CHED N#Cc1cccc(SCc2cc(F)ccc2[N+](=O)[O-])c1 177359319 CNGWRGXABZVNMJ-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCc3c(F)cccc32)cc1 113329850 ODTVRDREQUNBQN-LJQANCHMSA-N 295.357 3.615 30 20 CHED CN(c1ccc([N+](=O)[O-])c(C#N)c1)[C@@H]1CCc2ccccc21 301805823 VVHRKTMOQZLHRL-QGZVFWFLSA-N 293.326 3.590 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1snc(Cl)c1C#N 301697435 BWBXMIQJPUQRAZ-BDAKNGLRSA-N 287.841 3.754 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2ccco2)c1 118968103 WMIFITORGZSBON-CMDGGOBGSA-N 254.285 3.741 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@@H](Cc2ccccc2)C1 301402807 DHZAYCWWFUSMSR-HNNXBMFYSA-N 280.346 3.766 30 20 CHED C[C@H](CNCc1cccc(C#N)c1)Sc1ccccc1 174608412 WPLVTGFHWCVAEG-CQSZACIVSA-N 282.412 3.829 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)c1 179824566 DKKQRGWQOLIEHY-KGLIPLIRSA-N 288.391 3.904 30 20 CHED O=C(NO)c1sc(-c2ccccc2)nc1-c1ccccc1 114952755 VBVHSMQRGQZAFK-UHFFFAOYSA-N 296.351 3.596 30 20 CHED C[C@H](CCc1ccccc1)Nc1nc2ccccn2c1C#N 301174281 VRCNFGDROIZDPL-CQSZACIVSA-N 290.370 3.639 30 20 CHED C/C(=C\C(=O)O[C@@H](C)c1ccc(C#N)cc1)C1CC1 175786190 WUDYTHNRSFRNSL-ZKQHCESOSA-N 255.317 3.519 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(OCC#N)cc2)o1 69752915 FRUYHFKGXVWNGP-DYVFJYSZSA-N 296.370 3.595 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c(C)o1 113177785 CVXGGPVGLAGBDR-CQSZACIVSA-N 288.734 3.545 30 20 CHED C[C@@H](CNCc1cc(C#N)cs1)Sc1ccccc1 177707415 FXYJIMQNDCHUGF-LBPRGKRZSA-N 288.441 3.890 30 20 CHED COCc1cccc(/C=C2\Cc3ccc(C)cc3C2=O)c1 172818648 ZNGZBPCOSUEFCX-LICLKQGHSA-N 278.351 3.964 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2ccc(C#N)cn2)C1 301305724 XZNLUHWCSXQCGV-SFHVURJKSA-N 277.371 3.511 30 20 CHED C=CCCCC(=O)Nc1nnc(-c2ccsc2)s1 175551859 HVMQDYVATVKKKQ-UHFFFAOYSA-N 279.390 3.561 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1 179780129 XITVCJZVTIWKJP-CYBMUJFWSA-N 283.375 3.551 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(C#N)c1C 178635583 YFXZPUUXBSYVEV-UHFFFAOYSA-N 292.338 3.684 30 20 CHED C[C@H]1CN(c2cccc(C#N)n2)CC[C@H]1c1ccccc1 301471967 UELLWOIJCWEOBX-WMLDXEAASA-N 277.371 3.583 30 20 CHED C=C(C)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 60483080 LUGLEJNXFMTBOM-UHFFFAOYSA-N 277.795 3.811 30 20 CHED C=C(C)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 180580544 YQPNNELPLVIEPW-GFCCVEGCSA-N 261.262 3.985 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc(C)c2F)s1 125836696 WRGBOIGVFLLSLK-UHFFFAOYSA-N 288.347 3.882 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)[C@H](C)CC 183388755 OIFSPPWFRYRRPF-NEPJUHHUSA-N 274.364 3.578 30 20 CHED CC[C@H]1c2ccsc2CCN1C(=O)C(C#N)(CC)CC 602246585 QJOOCJKAVXTHDC-ZDUSSCGKSA-N 290.432 3.914 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC1 78573028 MWONZLLKAPYORC-GFCCVEGCSA-N 289.404 3.566 30 20 CHED CCCC1(C/N=C(/N)Nc2ccc(C)cc2)CCC1 305042332 KDIAZEXRJDOOCI-UHFFFAOYSA-N 259.397 3.692 30 20 CHED N#CCCCCNC(=O)Nc1cc(Cl)ccc1Cl 70940798 VKCKBLXUAMTBDL-UHFFFAOYSA-N 286.162 3.809 30 20 CHED Cc1cccnc1[C@@H](NCc1cc(C#N)ccc1F)C(C)C 120872372 UXWIPPNTFGUDGJ-KRWDZBQOSA-N 297.377 3.888 30 20 CHED N#Cc1ccc(CN(Cc2cc(O)cc(F)c2)C2CC2)cc1 186178815 FRVCGLQHACYHCV-UHFFFAOYSA-N 296.345 3.568 30 20 CHED Cc1ccc2c(CC(=O)N(CC#N)C3CCCC3)coc2c1 125037162 PZSGMGZZGSWMHR-UHFFFAOYSA-N 296.370 3.579 30 20 CHED C#CCCCCNCc1csc(-c2cccs2)n1 150731066 YDDMFSOEJWYFAV-UHFFFAOYSA-N 276.430 3.765 30 20 CHED Cc1cc(C)n(-c2cccc(N[C@H]3CCC[C@H](C#N)C3)c2)n1 185740336 BMEMMZKKENVUCU-HOTGVXAUSA-N 294.402 3.983 30 20 CHED C=CCOc1ccc(CNCC2(CC)CCOCC2)cc1 314384127 RGIUIVIKEALZPU-UHFFFAOYSA-N 289.419 3.548 30 20 CHED CC[C@@H](N[C@H]1CCC[C@@H]2C[C@H]12)c1ccc(C#N)cc1 414218455 ZPNKLADPYJPORE-TWMKSMIVSA-N 254.377 3.788 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1nnc(-c2cccs2)o1 78431501 SDLNSYUDAVQTIY-JTQLQIEISA-N 297.339 3.810 30 20 CHED COc1ccc(C(C)(C)CN[C@@H]2CCC[C@H](C#N)C2)cc1 185822002 UHJCUOKWPDBKSL-GOEBONIOSA-N 286.419 3.645 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc(C(C)C)nc1 122445071 ALEHJCXJCKEWSV-UHFFFAOYSA-N 287.407 3.607 30 20 CHED C=C[C@H](CC(=O)N1CCC(C)CC1)c1ccccc1 122158068 HIRVNXLUEXFIMM-OAHLLOKOSA-N 257.377 3.605 30 20 CHED CC(C)CCN(CCC#N)Cc1cn2ccccc2c1C#N 72691610 UMJZZCASYLLXMN-UHFFFAOYSA-N 294.402 3.573 30 20 CHED CC[C@@H](c1ccc(F)cc1F)[S@@](=O)CCCCC#N 78735050 ZICGGTRTOQGHII-IFXJQAMLSA-N 285.359 3.858 30 20 CHED Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1F 174430745 TVDHHTJLIAELRU-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CC23CCCCC3)c1 181552113 WPDHXVLZAXDNJT-HNNXBMFYSA-N 268.360 3.512 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCCCF 377131319 UIONNAHCKAVHEY-HZPDHXFCSA-N 260.356 3.508 30 20 CHED CC1(C)CC(C(=O)Nc2cccc(OCCCC#N)c2)C1 507187005 IJTWMSBHSRPITA-UHFFFAOYSA-N 286.375 3.744 30 20 CHED C=CCOc1ccc(CN[C@@H](CCOC)C(C)(C)C)cc1 509963871 PDTYWIUICGYHNG-KRWDZBQOSA-N 291.435 3.792 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(OC2CCCC2)c1 505214301 YRCBWNXHXTXXGB-QGZVFWFLSA-N 286.375 3.886 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1ccncc1 181395598 FOBFVFGQEFYJHN-HOCLYGCPSA-N 287.407 3.673 30 20 CHED C#CCCCCNc1nc(C(F)F)nc2ccccc12 130578905 BEWZKYJHAIYEDH-UHFFFAOYSA-N 275.302 3.783 30 20 CHED CN(Cc1ccc(CN2CCCCC2)cc1)CC(C)(C)C#N 411786136 MJUXHDXOMQAHND-UHFFFAOYSA-N 299.462 3.654 30 20 CHED CN(CC(C)(C)C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416662301 OEFZFOMOWAFUGI-INIZCTEOSA-N 299.418 3.623 30 20 CHED C=C(C)CN(CC)Cc1c(C(C)C)nc2sc(C)nn12 505891701 NRCSKVJXLBXDGR-UHFFFAOYSA-N 292.452 3.621 30 20 CHED CC(C)(C)[C@H]1CCCN1Cc1ccc(F)cc1C#N 525271811 TYIYTLMNSJCQCA-OAHLLOKOSA-N 260.356 3.708 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCC1(C#N)CCC1 416346983 NOCLCTNAYYNSBF-HUUCEWRRSA-N 296.414 3.786 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/[C@H]1CCCC(F)(F)C1 329523447 PXKMTTFDQGTSLC-JTQLQIEISA-N 284.306 3.743 30 20 CHED C[C@@H](Nc1ccc(F)cc1OCC#N)C1CCCC1 192703975 JGZCHIUSTBMSTH-LLVKDONJSA-N 262.328 3.719 30 20 CHED Cn1ccc2cccc(NCc3ccc(C#N)c(F)c3)c21 190406912 LAXOSQDGRPQBAM-UHFFFAOYSA-N 279.318 3.801 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)Cc1cc(C#N)n(C)c1 191355428 SBJSVCOYPITKLY-SFHVURJKSA-N 281.403 3.726 30 20 CHED Cc1csc(CSCc2cccc(C#N)c2)n1 88308821 ANKWFELVHMXGQG-UHFFFAOYSA-N 260.387 3.757 30 20 CHED CC[C@H](CC1CCCC1)/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 329825912 CCYFPJFXNGWLAB-UKRRQHHQSA-N 289.423 3.830 30 20 CHED CC[C@H]1OCCC[C@H]1C(O)=Nc1nccn1-c1ccccc1 328747672 QBYOZKURHVYYQL-HUUCEWRRSA-N 299.374 3.666 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(C)Cc2cccc(C#N)c2)C1 131293106 KCWKAWONWNOWLF-HUUCEWRRSA-N 284.403 3.733 30 20 CHED C[C@@H](/C(O)=N/C12CC3CC(CC(C3)C1)C2)c1cncnc1 330276250 MPUNLSOLRLTVTO-SFCYXTAJSA-N 285.391 3.505 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1nc(C(C)C)c(C)s1 424669208 UNKNCUXFARBFRA-UHFFFAOYSA-N 280.437 3.793 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OCC)cc1F 424880463 LZOJAPCCLLXVPY-UHFFFAOYSA-N 265.328 3.765 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ccc(C#N)c(C#N)c1C 421558802 NMOFMYRRRKZIQM-KRWDZBQOSA-N 283.375 3.893 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C 192474916 YKTMMRMHCCSXIL-INIZCTEOSA-N 287.363 3.827 30 20 CHED CC(C)Cc1ccc([C@H](NC(=O)[C@H](C)C#N)C(C)C)cc1 510379251 QAXAXYOMXQGUTO-RHSMWYFYSA-N 286.419 3.858 30 20 CHED C=CCc1cccc(F)c1OCc1nc(C)c(C)o1 424096610 CKRUPKVKYUKWHG-UHFFFAOYSA-N 261.296 3.738 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)[C@]1(C#N)CC12CCCC2 516147003 ONZCDDXJOIYTIO-RVKKMQEKSA-N 288.435 3.793 30 20 CHED O/C(=N/C[C@H]1CCCOC1)Nc1ccc(C2CCC2)cc1 330230813 WQTQKZOELAFAMR-CYBMUJFWSA-N 288.391 3.707 30 20 CHED N#CC1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1 336426552 GREAIXMXWAOSRB-UHFFFAOYSA-N 287.165 3.868 30 20 CHED CC1(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1 428803531 LNSZXCZRJRYJRE-NSHDSACASA-N 297.185 3.864 30 20 CHED C[C@H](NC(=O)[C@H](C)C#N)c1ccc(Cl)c2ccccc12 336029336 MGCYLQQDHYUWAZ-MNOVXSKESA-N 286.762 3.830 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)c(Cl)c1 335890427 KPESLMIMNVEOAD-RISCZKNCSA-N 289.766 3.618 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 336528449 BHFWXQHUIBFGTH-PKOBYXMFSA-N 294.398 3.610 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1occ2c1CCC2 512700655 AALPMBDBPZQYEM-UHFFFAOYSA-N 287.403 3.977 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)s1 336309497 JTHDHWGUQBAOKW-GFCCVEGCSA-N 288.397 3.659 30 20 CHED Cc1nc(NC(=O)[C@]2(C#N)C[C@H]2C)ccc1-c1ccccc1 336291873 LLTAEKHWCZHICQ-XIKOKIGWSA-N 291.354 3.545 30 20 CHED CN(CC(C)(C)C#N)c1cc(C#N)ccc1C(F)(F)F 432159792 XBBYSURMHXEVFX-UHFFFAOYSA-N 281.281 3.563 30 20 CHED COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1C1CC1 435643506 CQAIUALXODQOEL-UHFFFAOYSA-N 292.338 3.697 30 20 CHED N#CCC1(CNc2ncc(C(F)(F)F)cc2Cl)CC1 338489426 KWXIIOXETARFOZ-UHFFFAOYSA-N 289.688 3.860 30 20 CHED CCN(Cc1ncc(C)s1)[C@@H](C)c1ccc(C#N)cc1 180445267 KHFGDZOZJLAISS-ZDUSSCGKSA-N 285.416 3.906 30 20 CHED C[C@H](/C(O)=N/[C@H]1CCCc2c[nH]nc21)c1ccsc1 330133941 RNXLNRKKDZYUIZ-CABZTGNLSA-N 275.377 3.609 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1C[C@@H](C)O[C@H](C)C1 94131981 QHCXXDDWKDVACV-HUUCEWRRSA-N 293.451 3.785 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1C[C@H](c2ccc(F)cc2)C1 431488208 DJRHRKZHFBXERL-JCNLHEQBSA-N 291.329 3.927 30 20 CHED N#Cc1cccnc1/C=C/c1cnc(C(F)(F)F)s1 336433940 IYOUXPCQGFKHJA-ONEGZZNKSA-N 281.262 3.599 30 20 CHED CC[C@@H](CC#N)/N=C(/O)Nc1cc(C)c(Cl)c(C)c1 331261906 CMKLRJPXWUWLOD-NSHDSACASA-N 279.771 3.975 30 20 CHED CC(C)[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 90180678 LNWYVPRMKONAGU-LBPRGKRZSA-N 269.310 3.691 30 20 CHED Cc1ccc(-n2ccnc2SCC2(C#N)CC2)c(C)c1 349159352 LNPIQYCSOQSSLR-UHFFFAOYSA-N 283.400 3.885 30 20 CHED C[C@@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCC#N)cc1 246345644 MLVCCZGKHFWGOK-YQFWSFKMSA-N 284.403 3.676 30 20 CHED C=CCCCCCN(C)CC(=O)N[C@@H](C)c1ccccc1 523565051 JDWQFIJIFUMLPF-INIZCTEOSA-N 288.435 3.542 30 20 CHED COc1cccc2c(N(C)CC(C)(C)C#N)c(C)cnc12 432139247 KEVJZTYGYIFJFR-UHFFFAOYSA-N 283.375 3.538 30 20 CHED C=CCC1(c2nc([C@H]3CC[C@H](C)O3)no2)CCCC1 528244328 WDKCDBOFBVCNPQ-NWDGAFQWSA-N 262.353 3.698 30 20 CHED Cc1ncc(CN(CC(C)C)c2ccc(C#N)cc2)s1 347241472 CUXYZAZHYLMYQV-UHFFFAOYSA-N 285.416 3.986 30 20 CHED Cc1cocc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 528967099 UAWSIXXMLAGVKY-JTQLQIEISA-N 274.345 3.658 30 20 CHED CCc1cc(N[C@H](C)CC2(C#N)CCOCC2)ccc1F 602665687 XNSBCHKKUVFAFA-CYBMUJFWSA-N 290.382 3.899 30 20 CHED C[C@H](CCc1ccccc1)N[C@@H]1CCC[C@@H](C#N)C1 248835527 MZUAEFBXAISNIS-DJIMGWMZSA-N 256.393 3.680 30 20 CHED C=CCCCCCN(C)C(=O)CCOc1ccccc1F 606883044 BZTLYKHLFBDBOJ-UHFFFAOYSA-N 293.382 3.799 30 20 CHED Cc1c(C#N)cccc1N[C@H](C)c1cccc(C#N)c1 600852564 VSLKIEAUZNGJET-CYBMUJFWSA-N 261.328 3.911 30 20 CHED CCCCC1CCC(CNC(=O)c2ccc(C#N)cn2)CC1 522122328 DEVKFFAIQQEARB-UHFFFAOYSA-N 299.418 3.680 30 20 CHED N#CC1(F)CCN(Cc2cccc(-c3ccccn3)c2)CC1 348718968 YXFRECLQFSBUPR-UHFFFAOYSA-N 295.361 3.576 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H](C)n2nc(C)cc2C)n1 340790682 KQGWCWUXTLZLLW-CYBMUJFWSA-N 288.395 3.540 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCSc2c(F)cccc21 602512203 RTUDYKQCFPHTAR-RISCZKNCSA-N 278.396 3.892 30 20 CHED C=CCC[C@@H](NCCCc1ccc(OC)cc1)C1CC1 439083562 HXPLBBUUWHGNJE-GOSISDBHSA-N 273.420 3.962 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)CCc2cc(O)ccc21 254967492 UKBVFLNFTZJSBG-GDNBJRDFSA-N 292.334 3.540 30 20 CHED COc1c(C)ccc(N[C@H](C#N)Cc2ccccc2)c1C 603585229 ZJFZONVGNBTBQK-INIZCTEOSA-N 280.371 3.859 30 20 CHED Cc1cc2cc(/C=C\C(=O)c3cnn(C)c3)oc2cc1C 255397353 UAZLJEPPBQTJAP-PLNGDYQASA-N 280.327 3.679 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1 255395337 IJOAYSQMTXASIU-HJWRWDBZSA-N 256.301 3.631 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1c(F)ccc(C)c1F 348508036 JHFSUTPXVCLCNC-UHFFFAOYSA-N 294.345 3.818 30 20 CHED CCCc1ccc(C(=O)N(C)c2ccc(C#N)cc2)s1 602275866 ONQODBARPWGDLF-UHFFFAOYSA-N 284.384 3.849 30 20 CHED Cc1ccc(C=NOCc2cccc(Cl)n2)cc1 254950390 BLSGYNBFWHBASJ-UHFFFAOYSA-N 260.724 3.594 30 20 CHED C=CCCCNC(=O)Nc1cc(F)ccc1OCC1CC1 448064639 GVZVEYPRNKLGNG-UHFFFAOYSA-N 292.354 3.702 30 20 CHED CC[C@H]1CN(Cc2cc(C#N)ccc2F)c2ccccc2O1 441333921 UFSJERQYHLSJFU-HNNXBMFYSA-N 296.345 3.875 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)[C@H]1c1ccco1 602928053 WQCCWUIWVVVWKL-KRWDZBQOSA-N 280.371 3.929 30 20 CHED CCN(Cc1cc2ccccc2cc1OC)C[C@H](C)C#N 449014228 HHJZIVLMBRZSJZ-CQSZACIVSA-N 282.387 3.830 30 20 CHED C=CC[C@@H]1N(Cc2cscn2)CCCC1(C)C 444788047 ZVKUKSOUNPCBFS-ZDUSSCGKSA-N 250.411 3.710 30 20 CHED C=CCCCCNC(=O)Nc1cccc(-c2cc[nH]n2)c1 352902113 OARBUSMYHWBLKY-UHFFFAOYSA-N 284.363 3.555 30 20 CHED C=CCC1(C(=O)NCC2CCSCC2)CCCCC1 448984209 RCDUOZVXXZVQHO-UHFFFAOYSA-N 281.465 3.772 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(C(=O)CC(C)C)CC1 449101019 YKNFZAQPKVFLJK-MRXNPFEDSA-N 294.483 3.748 30 20 CHED C[C@@H](CCC#N)CNCCCOc1cccc2cccnc12 602538669 XGXDCCNSSUYGLQ-HNNXBMFYSA-N 297.402 3.533 30 20 CHED CC[C@H](c1ccccc1OC)N(C)CC1(CC#N)CC1 602832569 JPPIGTSAHKRGKY-OAHLLOKOSA-N 272.392 3.772 30 20 CHED CC[C@H](C)n1ncc(NC(=O)[C@@](C)(C#N)CC)c1C1CC1 354437054 UYRDSOUCDRHBDJ-MEDUHNTESA-N 288.395 3.610 30 20 CHED CC(C)c1ccc(OCCNC[C@H](C)CCC#N)cc1 602519638 CGBYXNQRDSBMPH-OAHLLOKOSA-N 274.408 3.718 30 20 CHED CC[C@@H](C(=O)N(CC)CCC#N)C1CCC(C)CC1 359270759 LJJCYCNMYWDHNS-YMAMQOFZSA-N 264.413 3.601 30 20 CHED CO[C@H]1CCC[C@@H]1CNc1ccc(C#N)cc1C(F)(F)F 539234796 UDGBMNXLHVYIHX-RISCZKNCSA-N 298.308 3.804 30 20 CHED CC(C)(C)c1nc(C(=O)Nc2ccc(CC#N)cc2)cs1 263722233 YMGDIOCIEVPGLZ-UHFFFAOYSA-N 299.399 3.759 30 20 CHED Cc1ccc2sc(C(=O)NCC3(CC#N)CC3)cc2c1 355292374 NQSNWRMYAIRIDD-UHFFFAOYSA-N 284.384 3.633 30 20 CHED CC(C)COc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1 612406552 PPRICHQNRRUTJV-SFHVURJKSA-N 286.419 3.847 30 20 CHED CC[C@H](C)n1ncc(NCc2ccc(C#N)c(C)c2)c1C 444003454 ISHZTBVMQHLGEU-ZDUSSCGKSA-N 282.391 3.955 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC/C=C\c1ccccc1 618743187 ZNXPIXMXBSDRDA-OCTSTCLRSA-N 274.367 3.849 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(c2cccc(C#N)n2)C1 535128451 IADWUKKGUUUZOE-MLGOLLRUSA-N 281.334 3.680 30 20 CHED CC1(C)CCc2c(OC[C@@H](C#N)CCC#N)cccc2O1 442544457 BDSLIXYBCJJTCR-CYBMUJFWSA-N 284.359 3.613 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 449998211 GXQQWSIVOJKYNH-WMZOPIPTSA-N 288.435 3.889 30 20 CHED C=C(CC)CSCc1nccn1CC(F)(F)F 358638157 VKSVRZQOEXGKEK-UHFFFAOYSA-N 264.316 3.645 30 20 CHED C[C@H](C#N)CNC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 532669722 ZEZYPHCKDFKMBR-CYBMUJFWSA-N 286.419 3.538 30 20 CHED C#CCCCCNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 268349828 QYRJVESOCTVCMP-OAHLLOKOSA-N 290.794 3.600 30 20 CHED C[C@@H](C1CCC1)N(C)Cc1ccc(C#N)cc1OC(F)F 357025711 BJUUGRYNPZURJS-NSHDSACASA-N 294.345 3.780 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H]1C(C)(C)C 539400898 FLVHTEKXMGWGLK-OAHLLOKOSA-N 281.440 3.787 30 20 CHED CC(C)CCN(CCC#N)C[C@@H]1CCC2(CCCC2)O1 530410727 MFPOFFMNLCKUCV-INIZCTEOSA-N 278.440 3.740 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cc(F)cc(F)c1OC 537528028 BCULAMCUENGCDV-NXEZZACHSA-N 255.308 3.986 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2cc(F)ccc21 613275231 MZAQQWOTQSFWQD-WBMJQRKESA-N 275.367 3.717 30 20 CHED C=C[C@H](CC(=O)N1CCC(C)(C)CC1)c1ccccc1 536136562 RKTNXKWFAWYGKQ-OAHLLOKOSA-N 271.404 3.995 30 20 CHED N#CCCCC(=O)Nc1sc(-c2ccccc2)cc1C#N 361609389 XZFGYIVQHNVISX-UHFFFAOYSA-N 295.367 3.919 30 20 CHED C[C@@H](CCC#N)N1CCC[C@H](c2nc3ccccc3o2)C1 616015959 HQTLRVNAFGWMSQ-KBPBESRZSA-N 283.375 3.699 30 20 CHED C=CC[C@@H]1N(C(=O)c2ncc(F)cc2F)CCCC1(C)C 278189013 DLAWYIOFLMTUGQ-ZDUSSCGKSA-N 294.345 3.567 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cnccc1C 271604487 VWUXXLQPYAEMQE-OAHLLOKOSA-N 282.387 3.806 30 20 CHED CCc1c(C)[nH]c2ccccc2c1=NCC1(CC#N)CC1 362361397 XDMMDZKTHDUPOE-UHFFFAOYSA-N 279.387 3.633 30 20 CHED C[C@]1(NC(=O)C[C@@H](CC#N)c2ccccc2)CC=CCC1 458345715 NBQMKYFZJQKAFZ-AEFFLSMTSA-N 282.387 3.689 30 20 CHED CCn1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cn1 453376893 PLIPNILQLZDCJT-FZKQIMNGSA-N 294.402 3.503 30 20 CHED CC(C)(C#N)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 362538829 ZYSYKMVDIAQFGQ-UHFFFAOYSA-N 289.423 3.541 30 20 CHED CC[C@@H](NCCc1csc(C)n1)c1ccc(C#N)cc1 278312953 UBXLHJLGWZUQEW-MRXNPFEDSA-N 285.416 3.607 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(C)c(C)cc1Cl 455742767 IAMCQPCCHNEIBL-SNVBAGLBSA-N 252.745 3.653 30 20 CHED Cc1nc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cs1 272267936 MUFDGQVRCZBCCJ-LLVKDONJSA-N 283.400 3.663 30 20 CHED C[C@@H](C1CC1)N(C(=O)c1ccc(Cl)c(C#N)c1)C1CC1 546001170 VIXRTIDNHBYPPW-JTQLQIEISA-N 288.778 3.615 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(CCCC#N)C1 361824914 HWRFZBATUQWKKV-QGZVFWFLSA-N 256.393 3.635 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](c1ccccc1)C(C)(C)C 278532889 LQVMHHWXDHKLHM-HNNXBMFYSA-N 272.392 3.830 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N(C)c1ccc(C#N)cc1 544400716 LJCGKNRWPDZQGS-CYBMUJFWSA-N 272.392 3.983 30 20 CHED C=CCCCNC(=O)c1ccc(C(F)(F)F)cc1C 451291879 BAQANYRJIAQRII-UHFFFAOYSA-N 271.282 3.710 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(F)cc(C(C)=O)cc1F 272228736 WYMHCDGJEKTXIO-UHFFFAOYSA-N 293.313 3.874 30 20 CHED C[C@H]1C[C@@H](C(=O)N2CCc3ccc(C#N)cc32)CC[C@H]1C 450260071 ZMWNBRKUBLQRMS-WWGRRREGSA-N 282.387 3.520 30 20 CHED C=CCC1(NC(=O)NCc2cccc(C#N)c2)CCCCC1 457652104 AFOMNKMOSDUVDU-UHFFFAOYSA-N 297.402 3.636 30 20 CHED Cc1ccnc(N(C)C[C@@H](C)c2ccccc2)c1C#N 542207694 UKHLMUSRDIDOHS-CQSZACIVSA-N 265.360 3.502 30 20 CHED CC(C)[C@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 540609614 XKOMMDMMYYKZPT-QWHCGFSZSA-N 262.422 3.924 30 20 CHED CCC[C@]1(C)CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 463066966 CCNWSNBTOGIELJ-MRXNPFEDSA-N 287.363 3.873 30 20 CHED N#Cc1cc(NCCOc2cccc(F)c2)ccc1Cl 462217818 DAIWNWFHVJXLJY-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cc(F)ccc1SC 468016656 MJUDCLCIVAABIP-OAHLLOKOSA-N 281.396 3.766 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 280882413 NIPQBHVXGCGSDD-IRXDYDNUSA-N 284.403 3.733 30 20 CHED CC(C)(C)[C@@H]1CC[C@H]1NCCc1cccc(C#N)c1 554586964 YRRFBGOGWBEKCE-HZPDHXFCSA-N 256.393 3.515 30 20 CHED C=C(C)C(C)(C)c1nc([C@H]2Cc3ccc(F)cc32)no1 632221629 QUZCRJYTHLNNOM-ZDUSSCGKSA-N 272.323 3.750 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)CCCCc1ccccc1 559011260 WRFIZUKGIKELPV-UHFFFAOYSA-N 298.434 3.622 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)cc(Cl)c1F 632324793 HGRJHPHWUQZLNM-UHFFFAOYSA-N 276.138 3.781 30 20 CHED C=C(C)CCc1noc(CCC(=O)c2ccc(C)cc2)n1 284995743 CRYFZZKCDYLJQV-UHFFFAOYSA-N 284.359 3.702 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](CC1CCCC1)C(C)C 557383729 PUIDLGFLZZPIIF-MRXNPFEDSA-N 276.424 3.767 30 20 CHED C[C@H](c1ccccc1)N(C)CCCC1(C#N)CCOCC1 281925816 HQOJJCMAYJHPDZ-MRXNPFEDSA-N 286.419 3.780 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1c(C)c(C)c(C)c(C)c1C 552365428 APSHVBAZSWRNMB-SFHVURJKSA-N 286.419 3.785 30 20 CHED C=CCCCCNC(=O)c1cc(C2CC2)cnc1Cl 281490228 GOURFUCDPQYDMC-UHFFFAOYSA-N 278.783 3.699 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1ccccc1F 550379930 IOTMBZPWGQCIOE-UHFFFAOYSA-N 277.383 3.822 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)oc1C(F)(F)F 293737610 IOJKYSJQJCVNQX-UHFFFAOYSA-N 289.297 3.939 30 20 CHED C=CCC1(C(=O)Nc2nc(-c3ccncc3)cs2)CCC1 636417188 VFZWOMYXAWLHSE-UHFFFAOYSA-N 299.399 3.890 30 20 CHED CCCC(CC)=NN[C@H](C)CCc1ccc2c(c1)OCO2 802714025 BSAIYWRCLSLQMJ-CYBMUJFWSA-N 290.407 3.892 30 20 CHED C=CCCCCCCNCc1cnc2c(c1)c(C)nn2C 290055441 GUTGKQMATYXJBL-UHFFFAOYSA-N 286.423 3.503 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2cc(C)ccc2O)cc1 296571343 SXIAPJHNFWGDLJ-OAHLLOKOSA-N 295.382 3.563 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](F)C2)c1 566413911 WDJYVIMLOGJEHI-CYBMUJFWSA-N 292.354 3.607 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C#N)c1ccc(CC)cc1 297722594 JSFBZDGNYHDTKE-OAHLLOKOSA-N 270.376 3.532 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCCC[C@H]1c1ccccc1 290976873 JDXALWXLRFHRBQ-KRWDZBQOSA-N 296.418 3.894 30 20 CHED C=CCCC(=O)OCc1ccc(OCc2ccccc2)nc1 802908936 BNEHOJNFTKJVQR-UHFFFAOYSA-N 297.354 3.670 30 20 CHED C[C@H]1Oc2ccccc2[C@H]1Nc1nc(Cl)c(C#N)s1 808132307 AMYKALJSICAFGY-HQJQHLMTSA-N 291.763 3.602 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 294566203 BRVKMSYDYMJGKI-ZIAGYGMSSA-N 288.391 3.649 30 20 CHED CC#CC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 801160649 LMGCCEZTUQMOJU-AWEZNQCLSA-N 277.795 3.957 30 20 CHED N#Cc1ccccc1OCCN(C#N)c1cccc(Cl)c1 478735246 QHAHDQZNPXDLNE-UHFFFAOYSA-N 297.745 3.578 30 20 CHED O=C1/C(=C\c2cnccn2)CCc2c1sc1ccccc21 809158199 QOTGFXSPMDQEML-LUAWRHEFSA-N 292.363 3.904 30 20 CHED Cc1sccc1CNc1ccccc1O[C@@H](C)C#N 293208025 JEEAFEFGXKWHRP-NSHDSACASA-N 272.373 3.960 30 20 CHED C=C(C)[C@H](NC(=O)CCC1CC1)c1ccc(F)c(F)c1 475700895 XPTDDZUUSCLUBD-INIZCTEOSA-N 279.330 3.888 30 20 CHED CC(C)c1ccc(C(=O)N2CCC(CCC#N)CC2)cc1 399361959 QSPDDCUKRSGCLO-UHFFFAOYSA-N 284.403 3.966 30 20 CHED COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1F 487653718 LHRFNMAUXBVMON-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C#Cc1ccccc1CC(=O)NCCCCC(C)(C)C 810349363 BQZVPJPKGCJPNV-UHFFFAOYSA-N 271.404 3.543 30 20 CHED N#Cc1ccc([C@@H](O)CNc2cccc(C3CCC3)c2)cc1 819487189 MRJFMNJARAWNPP-IBGZPJMESA-N 292.382 3.971 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccn1CC=C 488952948 WLDYONDTZMNISI-UHFFFAOYSA-N 286.419 3.883 30 20 CHED C=CCC(F)(F)C(=O)Nc1cnn([C@H](C)CC)c1C1CC1 815888386 LQFJIIYIZLWESS-SNVBAGLBSA-N 297.349 3.881 30 20 CHED CC(=NOC/C=C/Cl)[C@@H]1CCN(Cc2ccccc2)C1 811669639 RPIGFXGHOCUSRC-DMWCDALOSA-N 292.810 3.654 30 20 CHED C=C[C@@H]1CCCCN1CCCOCCc1ccccc1 489469432 BDYWUVINGUJKMU-GOSISDBHSA-N 273.420 3.676 30 20 CHED Cc1cccc(C(C)C)c1NN=C1C(=O)Nc2ccccc21 812232639 JLBWNCUEIUUAIS-UHFFFAOYSA-N 293.370 3.887 30 20 CHED C=C[C@H](CC(=O)NC1CC2(CCC2)C1)c1ccccc1 652970174 BRPZJIHUKPWXNI-CQSZACIVSA-N 269.388 3.795 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2cc(F)cc(F)c2)no1 571682401 RJIKCIRHQYTPKX-OAHLLOKOSA-N 278.302 3.792 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1cccc(Cl)c1)CC2 577028488 OMNPJTZOMCZRQX-KRWDZBQOSA-N 282.774 3.989 30 20 CHED CO[C@@](C)(C=NNc1nc2ccccc2s1)C1CC1 814685746 WBOFVWXHNXWIER-AWEZNQCLSA-N 275.377 3.509 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(C)c1ccccc1C#N 483872374 OMPPYKHQGVMGPC-ZFWWWQNUSA-N 270.376 3.737 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1O 811698654 MSGLHYPOOUQGHU-GQCTYLIASA-N 298.338 3.619 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CC(C)(C)OC1(C)C 488048895 OSMPGIJUBIBSOO-AWEZNQCLSA-N 296.455 3.720 30 20 CHED C=CCN(CC=C)C(=O)CCCc1ccc(SC)cc1 574086372 PYWCDCGRGDLQTI-UHFFFAOYSA-N 289.444 3.932 30 20 CHED C1=C([C@@H]2CCCCC2=NN[C@@H]2CCCOC2)CCCC1 814908209 KNJKEXUTQJUVON-CVEARBPZSA-N 276.424 3.802 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)c1ccc(-c2ccccc2)cc1 813303967 UGBJCCLZVJOHQH-LJQANCHMSA-N 290.366 3.776 30 20 CHED Cc1cc(Cl)cnc1NC(=O)/C=C/c1ccccc1C#N 813320624 LSAISDYNOCPGIC-VOTSOKGWSA-N 297.745 3.567 30 20 CHED C=CCC(C)(C)C(=O)NCCC1Cc2ccccc2C1 489675508 GPABDJKMKUBFLO-UHFFFAOYSA-N 271.404 3.510 30 20 CHED Nc1ccc2c(c1)C(=NOC1CCCCC1)CCC2 814910560 WVIOBYVWXOAUED-UHFFFAOYSA-N 258.365 3.659 30 20 CHED C/C(=C\C(=O)N(C)CC(C)(C)C#N)c1cccc(Cl)c1 817623863 PXNQOYQOHCXMMX-XYOKQWHBSA-N 290.794 3.751 30 20 CHED C=C(C)CNC(=O)NCc1cccc(Oc2ccccc2)c1 488576670 VRWOKHMVKZSNLE-UHFFFAOYSA-N 296.370 3.854 30 20 CHED Cc1nc(N2CCC[C@H]2Cc2ccc(F)cc2)ccc1C#N 488067854 KJPMRHDEXXRBHT-KRWDZBQOSA-N 295.361 3.612 30 20 CHED CCOc1ccc(NN=C(C)c2csc(C)n2)cc1 814984641 DRSSYAMJMJRLPL-UHFFFAOYSA-N 275.377 3.686 30 20 CHED CCc1cnccc1[C@H](C)NCc1ccc(C#N)c(C)c1 488303456 UVYYSIHVZRSIBX-AWEZNQCLSA-N 279.387 3.675 30 20 CHED C[C@@H](NN=C1CCCc2ccc(F)cc21)c1ccncc1 819816489 KBPGIHIPTMQLHF-GFCCVEGCSA-N 283.350 3.612 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1oc(-c2ccccc2)nc1C 488874415 CLZHAMZZGKGMKV-OAHLLOKOSA-N 296.370 3.831 30 20 CHED N#CCC[C@H](C#N)CN[C@H]1CCC[C@@H](c2ccccc2)C1 578193261 WAAXPJGPJPJKHM-NXHRZFHOSA-N 281.403 3.746 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@@H](C)CCCC 572776537 NKIFIXYNGKLWIO-AWEZNQCLSA-N 275.392 3.902 30 20 CHED C=CCCCCCCCNC(=O)N(C)Cc1nccs1 811926268 AAIZTTFNMRMNSA-UHFFFAOYSA-N 295.452 3.811 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C1CC1)c1ccc(C#N)cc1 815471494 JIXXSLNOFNCZAD-GFCCVEGCSA-N 271.360 3.989 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 814788792 KVTAOKDWTMQPPP-GFCCVEGCSA-N 293.357 3.954 30 20 CHED C=CCCCCCN1CCCC[C@@H]1[C@H](O)C(F)(F)F 488137746 KOJFJFZVWZFICK-OLZOCXBDSA-N 279.346 3.511 30 20 CHED C=C(C)COc1cc(CN[C@@]23CCC[C@@H]2C3)ccc1OC 657550782 KAVTWFNOSKLWTQ-CRAIPNDOSA-N 287.403 3.682 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)C1CC1 577427118 WGGFWYZQVYMGFG-AWEZNQCLSA-N 296.418 3.674 30 20 CHED C/C(=C\C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1Cl 727383396 RKKZPZRFVBMACT-CNELAYHGSA-N 290.794 3.798 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H](c2ccccc2)CC1 727288693 GUOPXBHXFNGQLK-INIZCTEOSA-N 288.460 3.707 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCc2ccc(OC)cc21 653766357 YSUHNRIATFGOMW-WBVHZDCISA-N 299.414 3.682 30 20 CHED N#CCCCCN1CC=C(c2c[nH]c3ccccc23)CC1 726596270 HGEUAKHWUXPQIJ-UHFFFAOYSA-N 279.387 3.951 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)CCCCC(C)(C)C 574075890 BBLGUXZHWWIOQF-HNNXBMFYSA-N 284.469 3.744 30 20 CHED C[C@@](C#N)(NC(=O)c1ccc(CF)cc1)C1CCCCC1 827855372 BNDBRNOJOITSNH-KRWDZBQOSA-N 288.366 3.748 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC1(c2ccccc2C)CC1 494906019 CDWVKDROFMOFKZ-MRXNPFEDSA-N 298.430 3.777 30 20 CHED CC(Cc1ccsc1)=NNc1nncc2ccccc12 729633717 QVFYRSDANBKHOH-UHFFFAOYSA-N 282.372 3.722 30 20 CHED Nc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cn1 821028329 RGWGHJALEVNQCS-XQRVVYSFSA-N 292.260 3.579 30 20 CHED C=CCC1(C(=O)Oc2ccc3ccc(=O)oc3c2)CCCC1 824012299 VNQFMSIGBAYYEV-UHFFFAOYSA-N 298.338 3.835 30 20 CHED C#C[C@H](CCC)NC(=O)N(Cc1cccc(F)c1)C(C)C 820639652 FSRGCQCFKFPZFJ-MRXNPFEDSA-N 290.382 3.548 30 20 CHED C[C@@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 575863843 JUEXJUWUOOKIHK-SNVBAGLBSA-N 271.751 3.606 30 20 CHED N#CC1(CSc2nnc(CCc3ccccc3)o2)CCC1 571493588 UDVOWEBMUZDNCG-UHFFFAOYSA-N 299.399 3.641 30 20 CHED Cn1nccc1C(=O)/C=C\c1cccc(Cl)c1Cl 588595232 XGKLRCYTHOVQMK-WAYWQWQTSA-N 281.142 3.623 30 20 CHED CCn1cc(Cl)cc1C(=O)N(CCC#N)CCC(C)C 906567141 XEDZCKMVMLBSCB-UHFFFAOYSA-N 295.814 3.563 30 20 CHED C[C@H](C(=O)OCCCCC1(C#N)CCC1)C1CCC1 909381092 DJEHEHWHGWEDNK-ZDUSSCGKSA-N 263.381 3.830 30 20 CHED C/C(=C/C(=O)OCC1(C#N)CCCC1)c1ccc(F)cc1 588411664 DZIDMHZKFFPTAQ-RAXLEYEMSA-N 287.334 3.856 30 20 CHED Cc1ccnc(N[C@@H]2CCCN(C)c3ccccc32)c1C#N 581291577 KTGBOTPGCVCBKM-MRXNPFEDSA-N 292.386 3.645 30 20 CHED CCOCOc1cnccc1-c1ccc(C2(C#N)CC2)cc1 904880708 NFFKGCKGUYYLQM-UHFFFAOYSA-N 294.354 3.677 30 20 CHED Cc1cccc(C(=O)/C=C\c2cncn2C(C)C)c1C 901476580 JPDZNWAXJNYGQT-HJWRWDBZSA-N 268.360 3.977 30 20 CHED N#CC1(CN[C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 903105629 GJUBSEGZZQZYSQ-LBPRGKRZSA-N 281.186 3.874 30 20 CHED CC(C)[C@H](C)N(C)Cc1cc(C#N)ccc1Br 492516646 VZVQMQAWHPRVSN-NSHDSACASA-N 295.224 3.797 30 20 CHED C=C(C)COc1cccc(N[C@@H](C(=O)O)c2ccccc2)c1 736094563 MNLBFBQVKFJZHF-QGZVFWFLSA-N 297.354 3.879 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(C(=O)O)c(Cl)c1 902544557 FWCVWWKAGUXIHI-LBPRGKRZSA-N 279.767 3.579 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CC[C@H](F)C1 583462206 YQRIBGOTBPNINY-WDEREUQCSA-N 272.245 3.880 30 20 CHED C=CC[C@@H](NC(=O)C[C@@H](C)CCC)c1ccncc1 734455691 KQKBCHWMOBEWAV-DZGCQCFKSA-N 260.381 3.641 30 20 CHED C=CCNC(=S)Nc1ccc(C)c(OCCC(C)C)c1 739456885 NALXIJWKPCQZLX-UHFFFAOYSA-N 292.448 3.892 30 20 CHED C=CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 661379143 UPVMNIFSFYRRQD-CQSZACIVSA-N 283.375 3.525 30 20 CHED C#CCCCCCC(=O)NC[C@H]1CSc2ccccc21 833094997 UQFHQDKJJBAOKD-AWEZNQCLSA-N 287.428 3.576 30 20 CHED N#CC1(OC(=O)Cc2ccccc2OC2CCCC2)CCC1 838814982 QWZDJQFVXHAUMG-UHFFFAOYSA-N 299.370 3.540 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)c1ccc(OC)cc1 731211909 HZZAZZLTSPYIHT-UHFFFAOYSA-N 296.370 3.624 30 20 CHED CC(C)C(C)(C)NCc1ccc(O[C@@H](C)C#N)cc1 732229541 HCBIFLPALNTOMC-ZDUSSCGKSA-N 260.381 3.502 30 20 CHED C#CCOc1ccc([C@@H](C)OC(=O)/C=C/c2ccco2)cc1 730431107 VVZGMVWZDNRWOU-PLSXKVAHSA-N 296.322 3.609 30 20 CHED CC[C@H](CC#N)NCc1nc(-c2ccc(C)cc2)cs1 581675344 PDYVJXVGTSTCDR-CQSZACIVSA-N 285.416 3.900 30 20 CHED CC[C@@H](NC[C@H](O)c1ccc(C)cc1)c1cccc(C#N)c1 902758958 MAAFWLQCYLXRQK-MOPGFXCFSA-N 294.398 3.641 30 20 CHED CC[C@H](NCCc1ncc(C)cc1C)c1cccc(C#N)c1 903042849 JKOPTCXPSQXZHW-SFHVURJKSA-N 293.414 3.854 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 837576888 XVJNPZVPVSDMRO-YOEHRIQHSA-N 296.414 3.663 30 20 CHED CC[C@H](C)CCC(=O)NCc1ccc(C#N)c(Cl)c1 586815099 BANBREGAILCYEB-NSHDSACASA-N 278.783 3.654 30 20 CHED CCC(CC)[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)N(C)C 589336497 LJXHCABDLVEVOH-RTBURBONSA-N 299.462 3.502 30 20 CHED C=CCCCN(CC)Cc1ccc(C(=O)O)c(Cl)c1 903961101 LENKZUDGGQHOHU-UHFFFAOYSA-N 281.783 3.826 30 20 CHED C=CCCC(=O)NCCc1c(Cl)cccc1Cl 588032854 PPIDPSHNBSTGTL-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C=CCC(CC=C)C(=O)Oc1cc(C(=O)O)cc(F)c1C 833369790 FIVRDXLJJXCKHJ-UHFFFAOYSA-N 292.306 3.506 30 20 CHED C#CCCOC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 730921956 NTHGEKLFXQYMHA-SJORKVTESA-N 264.324 3.510 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccc(Cl)s1 914557785 KPLIXENJOLFUPY-NVNXTCNLSA-N 281.764 3.735 30 20 CHED N#Cc1c(Cl)cccc1SCc1occc1C(=O)O 833760961 KENWAOCPEMENTM-UHFFFAOYSA-N 293.731 3.795 30 20 CHED CC(CCCc1cccnc1)=NN[C@H]1C[C@H]2CC[C@H]1C2 834969498 VQCZLFDVYNEADO-ULQDDVLXSA-N 271.408 3.558 30 20 CHED Cc1cc(N[C@@H]2CCc3cc(C#N)ccc32)c([N+](=O)[O-])s1 596216189 WFAIRRFFDGBFKY-CYBMUJFWSA-N 299.355 3.936 30 20 CHED CCCOc1cccc(/C=C2\Oc3cc(O)ccc3C2=O)c1 917143214 IOFUKNANHACLSJ-YVLHZVERSA-N 296.322 3.797 30 20 CHED COC(=O)[C@H](C)c1ccc(-c2ccc(C)cc2C#N)s1 592989041 PJSXCJYJNNOXSJ-LLVKDONJSA-N 285.368 3.872 30 20 CHED Cc1nnc(S[C@@H]2CCc3ccccc3C2)c(C#N)c1C 596362676 JXIDZJWKQVBEJO-OAHLLOKOSA-N 295.411 3.615 30 20 CHED CCc1ccc(C/N=C\c2cc([N+](=O)[O-])ccc2O)s1 915979375 OXQFHEZMYOQLQD-NVNXTCNLSA-N 290.344 3.543 30 20 CHED O=C1/C(=C\c2cc3cc(F)ccc3o2)Oc2cc(O)ccc21 741848987 SDKLKCBHODOBAH-LZYBPNLTSA-N 296.253 3.894 30 20 CHED C=CCCc1noc(CSCc2ccc(F)cc2)n1 590778657 PWYFLIKMJFJBII-UHFFFAOYSA-N 278.352 3.761 30 20 CHED N#Cc1cccc(CNC(=O)/C=C\c2ccc(Cl)cc2)c1 914483391 URFURIPXVUSSFB-TWGQIWQCSA-N 296.757 3.541 30 20 CHED N#Cc1nc(N2CC[C@@H](C3CCCC3)C2)sc1Cl 596276495 BKEYUHJSUDTTCX-SNVBAGLBSA-N 281.812 3.685 30 20 CHED COc1ccc2c(c1)O/C(=C\c1cc(F)ccc1F)C2=O 749131507 ANMCKJJWLJXTTH-CHHVJCJISA-N 288.249 3.590 30 20 CHED C=C(C)CNC(=S)N[C@@H](CC)C(C)(C)c1ccccc1 741488357 SGDLMHJALBRLAX-HNNXBMFYSA-N 290.476 3.783 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 916268980 KCBYGZGJTXMNLN-UHFFFAOYSA-N 269.304 3.739 30 20 CHED CSc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 45027324 NJLJDABFJCNUCY-UHFFFAOYSA-N 283.356 3.924 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1cc(C)cc(C)c1 598834976 PFASCDLMLNXJRV-UHFFFAOYSA-N 286.419 3.777 30 20 CHED C=CCN(C(=O)NCc1ccc(C(C)C)cc1)C(C)C 919923574 VSGXBQZDHHWKDY-UHFFFAOYSA-N 274.408 3.916 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 591808928 MCBWAKDWFVLDHA-MGBSGCIJSA-N 282.387 3.514 30 20 CHED Fc1ccc2c(c1)C(=NNc1ccc(Cl)cc1)CO2 918150972 KCOBOAYSGOHTIC-UHFFFAOYSA-N 276.698 3.688 30 20 CHED N#Cc1nc(N2CCS[C@@H]3CCCC[C@@H]32)sc1Cl 596154383 ISJGREAHKVEPEQ-VHSXEESVSA-N 299.852 3.533 30 20 CHED C=CCN(Cc1cc(=O)oc2cc(C)c(C)cc12)C(C)C 917166691 AGPYAAQMQYBZGF-UHFFFAOYSA-N 285.387 3.806 30 20 CHED CCc1ccc(-c2csc(NC(=O)[C@@H](C#N)CC)n2)cc1 593458641 URMPZVUFJQTMCH-GFCCVEGCSA-N 299.399 3.861 30 20 CHED Cc1cc(C)c(NN=Cc2ccc(O)c([N+](=O)[O-])c2)c(C)c1 916339225 HMTCUCCSCDNACU-UHFFFAOYSA-N 299.330 3.672 30 20 CHED CCCCCCCCOC(=O)c1oc(C)nc1C 748206731 GUEKTMNISHECBF-UHFFFAOYSA-N 253.342 3.809 30 20 CHED CC(=NN[C@H](C)c1ccncc1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842535756 LNLPZUDQEJHMJO-QCPWZWHMSA-N 269.392 3.710 30 20 CHED C=CCC[C@H](OC(=O)c1ccc(C)c(C)n1)C1CC1 842324617 DFLHZBXIZZCYMI-HNNXBMFYSA-N 259.349 3.600 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C=C1CCCCC1 741636582 PHHPSVWMFREDMX-UHFFFAOYSA-N 287.334 3.667 30 20 CHED N#CC[C@@H]1CCCN([C@@H]2CCc3c(Cl)cccc32)C1 595621380 UFURIQGPYRLRGV-BLLLJJGKSA-N 274.795 3.953 30 20 CHED C/C=C/COc1ccc(CCC(C)=NOCC)cc1 920371478 KSGLVIBCDJTEFH-OYXYSOBISA-N 261.365 3.987 30 20 CHED CC(C)(C)Oc1ccc(NCC2(CC#N)CC2)cc1C#N 849316359 AGQYVCCVMCEHHH-UHFFFAOYSA-N 283.375 3.841 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCCO[C@H]1C(C)(C)C 925104388 YJEMTLIBHAOIQM-RBSFLKMASA-N 280.456 3.746 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1ccc(O)cc1O 757473442 XHRVWPVIZRZPJC-FPLPWBNLSA-N 291.306 3.542 30 20 CHED C#CCN(C(=O)C[C@H](C)c1c[nH]c2ccccc12)C(C)C 928625127 QEAZDZLZDBVRRV-AWEZNQCLSA-N 282.387 3.532 30 20 CHED C[C@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(F)cc1 758687599 OPIFIBWPZGNNCX-LBPRGKRZSA-N 283.302 3.810 30 20 CHED CSc1ccc(C(C)=NO[C@@H]2CCCCO2)cc1F 755814284 LXIGVXTYJQUMIS-CQSZACIVSA-N 283.368 3.815 30 20 CHED N#Cc1c(Cl)cccc1NCc1ccc(F)cc1 48727832 GZYCQPLKXNULOY-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CCN(C(=O)Nc1ccccc1-n1nccc1C)C(C)C 753023122 QJALRZKMIIPEMI-UHFFFAOYSA-N 298.390 3.609 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc([N+](=O)[O-])cc1F 759010267 UGTVTJFDZSWUBY-UHFFFAOYSA-N 293.294 3.546 30 20 CHED CCN(C)Cc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 924957704 HZEPKIWQXVFAQP-HNNXBMFYSA-N 287.451 3.556 30 20 CHED CC1(C)C[C@@]1(C(=O)OCC1(C#N)CCC1)c1ccccc1 850292676 ASAPBDNCBRWFTB-SFHVURJKSA-N 283.371 3.591 30 20 CHED CCCCCCCNC(=O)NC[C@@H]1CCOC2(CCC2)C1 858113433 IITVJOODPGDACC-OAHLLOKOSA-N 296.455 3.605 30 20 CHED C=CCC[C@@H](N[C@H](C)c1cc(CO)on1)c1ccccc1 925579981 PELUPLVSERXDOB-CZUORRHYSA-N 286.375 3.525 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1C(=O)O[C@H]1C=CCCC1 758120346 MKIHDQVNZXPQAF-LBPRGKRZSA-N 295.260 3.843 30 20 CHED C#CCCCC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 757871145 KOCXSQUUNVOLQW-HUUCEWRRSA-N 263.425 3.759 30 20 CHED CCOc1cccc(C=NN[C@@H](C)c2ccccc2)c1 920381994 CFSLJVNDUQXCSE-AWEZNQCLSA-N 268.360 3.770 30 20 CHED C[C@]12CCN([C@@H](C#N)c3ccccc3)C[C@H]1C2(Cl)Cl 852023518 MERBBFZTZFQKAU-MJBXVCDLSA-N 295.213 3.767 30 20 CHED Fc1cc(F)c(NN=CC2CCSCC2)cc1F 853308610 PQEQEJZHPVKGHH-UHFFFAOYSA-N 274.311 3.645 30 20 CHED N#Cc1ccccc1C=NNc1ccc(Cl)c(F)c1 755752460 GGFYZGKQSVGSHC-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCCc1ccsc1 851204936 BAGKNZOPFHBMJE-LBPRGKRZSA-N 279.405 3.942 30 20 CHED N#C[C@@H](C(=O)C1CC2(CC2)C1)c1ccc2ccccc2n1 850741573 LQGUJBFWJCOHMV-CQSZACIVSA-N 276.339 3.601 30 20 CHED CN(c1ccccc1)c1ccc(C=NNC2CC2)cc1 758134342 XWOGSTUHXXUBMI-UHFFFAOYSA-N 265.360 3.540 30 20 CHED COC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 926312310 KQDWRVYHHQDHJU-WFASDCNBSA-N 294.826 3.945 30 20 CHED CCCCC=NNc1ccc([N+](=O)[O-])cc1Cl 755688647 BZLHJZDBDYFAAP-UHFFFAOYSA-N 255.705 3.836 30 20 CHED C#CC[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1 757577239 GPLDNWHUULNUCZ-QFQMRYFISA-N 293.341 3.720 30 20 CHED C[C@@H]1CCCCN1N=Cc1ccc(OC(F)F)c(F)c1 853380197 PWYJWWZIBVSHFR-SNVBAGLBSA-N 286.297 3.635 30 20 CHED CCCc1ccc(/C=C2\CCc3nn(C)cc3C2=O)s1 857202856 VBCWPHAUDUZRHO-PKNBQFBNSA-N 286.400 3.647 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(-c2ccc[nH]2)cs1 931683908 CMSGOWPFSJFMHG-SNVBAGLBSA-N 275.377 3.679 30 20 CHED CC(C)c1nc(C#N)c(NN=CCCc2ccccc2)o1 755673535 INTPJSPIROJXPB-UHFFFAOYSA-N 282.347 3.700 30 20 CHED C[C@@H](NCc1coc(C(C)(C)C)n1)c1ccc(C#N)cc1 930202097 JZVXVDGIMFYARL-GFCCVEGCSA-N 283.375 3.695 30 20 CHED C#CC[C@@H](NCc1cc(C)ccc1OC)c1ccccc1 756995412 HUIFQOXOBJMVDX-GOSISDBHSA-N 279.383 3.858 30 20 CHED Oc1ccc(F)cc1C=NOc1ccccc1C(F)(F)F 755817060 SSVXRZVUJFQWIV-UHFFFAOYSA-N 299.223 3.963 30 20 CHED CCCCCCCN[C@@H](C(=O)NC1CC1)c1ccccc1 755738642 LJAVIEDHCRECBH-QGZVFWFLSA-N 288.435 3.566 30 20 CHED C=C1CN(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)C1 930358964 PWMDHDSIFANJGI-OAHLLOKOSA-N 299.418 3.778 30 20 CHED CCc1nc(C(C)C)ccc1CN1CCC[C@@H](C#N)C1 932154091 DPHYCBJBKVARIC-AWEZNQCLSA-N 271.408 3.503 30 20 CHED CCc1cccc(Cl)c1/C=C/C(=O)c1ccnn1C 766039028 YMNNQSOSFSMFJK-BQYQJAHWSA-N 274.751 3.532 30 20 CHED Cc1ccc(C(=O)OCC(C)(C)C#N)cc1C(F)(F)F 860644667 FCCPOTIBBQELKP-UHFFFAOYSA-N 285.265 3.720 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(C#N)c(C)c1 767692025 SMZZYLWXUMWNKQ-UHFFFAOYSA-N 294.329 3.630 30 20 CHED C=CCN(Cc1cc2c(cc1O)CCCC2)C(C)C 768441708 GKMAQAOYVISBIS-UHFFFAOYSA-N 259.393 3.667 30 20 CHED C#CCN(Cc1c[nH]nc1-c1cccs1)C1CCCCC1 769145602 IXIPBPFEAGWOTR-UHFFFAOYSA-N 299.443 3.906 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C=O)s1 865733121 DDVRUMPJGHRPQI-UHFFFAOYSA-N 291.416 3.769 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2cccc(C3CCC3)c2)C1 931504922 KXRYWRARODFKJG-CYBMUJFWSA-N 283.375 3.722 30 20 CHED CCC[C@H](OCC)C(=O)[C@H](C#N)c1ccc2ccccc2n1 860452520 ZLYDEGAKDRJGLL-PBHICJAKSA-N 296.370 3.616 30 20 CHED COCc1ccc(C=NNc2ccc(Cl)c(F)c2)o1 764699369 QPRKGFJKGKCESS-UHFFFAOYSA-N 282.702 3.665 30 20 CHED CCCCCCCCC(=O)N1Cc2ccc(O)cc2C1 862607863 INUWVGKCHPOXFM-UHFFFAOYSA-N 275.392 3.985 30 20 CHED C[C@@](C#N)(NC(=O)[C@H](F)c1ccccc1)C1CCCCC1 769472845 CSKOJVPDHSRIFP-WBVHZDCISA-N 288.366 3.676 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2ccsc2Cl)c1 766491187 NGIXDSRDMBZVTK-NSCUHMNNSA-N 296.731 3.677 30 20 CHED COc1ccc(NCc2ccc(C#N)cc2)c2ncccc12 769949531 WGAGYCHKFIERCE-UHFFFAOYSA-N 289.338 3.727 30 20 CHED Cc1cccc(NN=CC2([C@H]3CCCCO3)CCC2)n1 872392955 FHZIIZVPFRQCLG-CQSZACIVSA-N 273.380 3.527 30 20 CHED C=C[C@@](C)(CC)C(=O)N(CC)Cc1ccccc1F 1116736004 JFEWKOHLDULHMX-INIZCTEOSA-N 263.356 3.777 30 20 CHED CCCCCCCCOCc1nnc([C@@H]2CCO[C@H]2C)o1 1118258865 PXZQUMDUZLASOQ-UONOGXRCSA-N 296.411 3.839 30 20 CHED C#CCCCCCCN[C@@H]1CCO[C@H](CC(C)C)C1 877143074 ZVMQQQPFBDODFU-IAGOWNOFSA-N 265.441 3.753 30 20 CHED COc1cccc(O)c1/C=N/CCc1cc2ccccc2[nH]1 771096493 FULRLYQIYDBXJJ-XDHOZWIPSA-N 294.354 3.544 30 20 CHED C=CCCCC[C@H](C)NCc1cccc(OCC#N)c1 1117827053 RIEPFZYRVVKIBL-HNNXBMFYSA-N 272.392 3.813 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCc1ccc(CC#N)cc1 776114482 NSRCYCZJTWXBCA-CQSZACIVSA-N 273.376 3.868 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCc3cc(F)ccc32)c1 773030499 RETHTBSFCSKWCT-QGZVFWFLSA-N 284.309 3.614 30 20 CHED COc1ccc(NCC#Cc2cccc(Cl)c2)cc1 772905052 ASCFKCOKPFKZQB-UHFFFAOYSA-N 271.747 3.812 30 20 CHED CCCOc1ccc(NCc2cccc(C#N)n2)cc1C 877659328 OWWUMRRJBQZTSM-UHFFFAOYSA-N 281.359 3.663 30 20 CHED Cc1ccc(C)c(N=C2NN=C(CC3CC3)CS2)c1 775743911 WZVGFBHITOZCEU-UHFFFAOYSA-N 273.405 3.783 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCc2ccc(C)cc21 779905839 QBBHUCVUBOVRSE-KRWDZBQOSA-N 269.388 3.682 30 20 CHED C#CCCCCCC(=O)O[C@H](c1ccccn1)C(F)(F)F 779993888 RRHVEXUIYQEVAC-CQSZACIVSA-N 299.292 3.812 30 20 CHED Cc1ccc2ncc(/C=C3/Cc4c(F)cccc4C3=O)n2c1 771860149 PXAPPLWCJBTPSU-GHXNOFRVSA-N 292.313 3.604 30 20 CHED C=CCOc1ccc(OC(=O)CC[C@@H](C)SC)cc1 773404098 AXDCLZKTIGEXCO-GFCCVEGCSA-N 280.389 3.689 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 775938677 BHRGVEJURGVJFP-HUUCEWRRSA-N 285.387 3.854 30 20 CHED CC1(C)Cc2cc(C(=O)Nc3cccc(C#N)c3)ccc2O1 1124268141 DDGYFNAOYLGLTL-UHFFFAOYSA-N 292.338 3.524 30 20 CHED C=CCC[C@H](C(=O)NCc1ccccc1O)c1ccccc1 779000674 ZEISVSGEXKXHDM-KRWDZBQOSA-N 295.382 3.758 30 20 CHED CCCC[C@H](CCC)NC(=O)Cc1ccccc1CC#N 776981668 WQQQWJUICGJQGU-KRWDZBQOSA-N 286.419 3.770 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1(F)CCCC1 771941922 CYDZGLXRNCIDEB-UHFFFAOYSA-N 279.330 3.623 30 20 CHED CC(C)CC(=NNCCc1ccccn1)c1ccccc1 789103387 VBINIURLVDHMFY-UHFFFAOYSA-N 281.403 3.664 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2ccc(Cl)c(Cl)c2)C1 886707753 QJCQOJNDBFXZOI-NEPJUHHUSA-N 283.202 3.818 30 20 CHED C=C1CCC(C(=O)N[C@H](CC)CC(F)(F)F)CC1 889959196 CVTYQQQTPLIGLH-LLVKDONJSA-N 263.303 3.580 30 20 CHED CCc1cccnc1[C@@H](C)NCc1cc(C#N)ccc1F 780728847 LOCSSOHBDINVQM-GFCCVEGCSA-N 283.350 3.506 30 20 CHED CCc1cccc(CNc2cccc(OCC#N)c2)c1 786761885 TWDGVQFZOVAJFO-UHFFFAOYSA-N 266.344 3.763 30 20 CHED C(C[C@@H]1CCCCC12OCCO2)=NOC1CCCCC1 788725720 JVORSCSNOJLCBC-AWEZNQCLSA-N 281.396 3.645 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cc1)c1nc(C2CC2)cs1 781189969 OSXXHQFSRZGXGT-JTQLQIEISA-N 298.367 3.810 30 20 CHED C[C@H](CC#N)OC(=O)c1cc2cccc(Cl)c2o1 783098966 PIZLNKVABOFWAQ-MRVPVSSYSA-N 263.680 3.545 30 20 CHED C[C@H](CNc1ccc(C#N)cc1F)COCc1ccccc1 390145757 QWFSUOQUVHBSRS-CQSZACIVSA-N 298.361 3.962 30 20 CHED C#CCC1(C(=O)NCc2ccc(C)c(OC)c2)CCCCC1 788174739 KKNDACGRHRNHMH-UHFFFAOYSA-N 299.414 3.594 30 20 CHED CCCC1(C(=O)Nc2cc(C#N)ccc2F)CCC1 891450580 IBPUWSJYTPVWOT-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(S[C@@H](C#N)CC)c1 781194134 GZAJNLIVSGLGLO-QWHCGFSZSA-N 288.372 3.540 30 20 CHED CCCc1nc(CNc2cc(C#N)ccc2C)cs1 86204544 CZNKCTSGGDAHSG-UHFFFAOYSA-N 271.389 3.888 30 20 CHED CCc1cccc(Cl)c1C=NO[C@H]1CCCCO1 788721908 KKFOBEVLIDJNOL-AWEZNQCLSA-N 267.756 3.780 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cn(C)nc1C1CC1 899344698 WDPRYEXSWCHZAD-FPLPWBNLSA-N 296.370 3.511 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1cc2c(s1)CCCC2 794699337 BNGWKVPBKKFWJD-BQYQJAHWSA-N 286.400 3.565 30 20 CHED Cc1cc(C)nc(NN=CCC2CCCCCC2)n1 799105064 JMUYCCZUUMPCFZ-UHFFFAOYSA-N 260.385 3.852 30 20 CHED C=CCCSCCNC(=O)c1cccc(Cl)c1F 597968568 IFGSFXUQPGUJSP-UHFFFAOYSA-N 287.787 3.518 30 20 CHED C#CCOc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)C2)cc1 794347339 LIYHVVXROXIDDH-MRXNPFEDSA-N 299.414 3.597 30 20 CHED C#CCCCCN[C@@H](C)c1cc(Br)cs1 194112634 JEEOYGPUVAVVIU-JTQLQIEISA-N 286.238 3.965 30 20 CHED N#Cc1ccc(COc2c(F)c(F)cc(F)c2F)cc1 194255872 YXKFNZJKHFTOTE-UHFFFAOYSA-N 281.208 3.694 30 20 CHED CCc1cccc(C)c1NN=C(C)c1ccc(C(=O)O)o1 799494232 FOGOWEVVHZXBOE-UHFFFAOYSA-N 286.331 3.685 30 20 CHED CC[C@@H](C)[C@H](C(=O)OCCCC#N)c1ccccc1 794005241 VOLAXMOKQMYFKX-HIFRSBDPSA-N 259.349 3.663 30 20 CHED CCCC(CCc1ccccc1)=NNc1nccn1C 790302250 KLJDQJWBMFTFQR-UHFFFAOYSA-N 270.380 3.621 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)Cc1ccc(C)cc1 1205347860 RZQWBFVFZHFEHH-CQSZACIVSA-N 280.371 3.918 30 20 CHED Oc1cccc(/C=N/C[C@H]2CCCCC(F)(F)C2)c1O 793656436 SVQXNOXUOWYMJK-HPAYWCODSA-N 283.318 3.732 30 20 CHED C[C@H](NN=C[C@@H]1CCOc2ccccc21)C(C)(C)C 793118025 ZFUBJXCIZCPSPS-STQMWFEESA-N 260.381 3.563 30 20 CHED CC(C)(C)OCCCC(=O)N[C@](C)(C#N)C1CCCCC1 796482017 JNZIQSINJAFEBE-QGZVFWFLSA-N 294.439 3.560 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1cnc3ccccn13)C2=O 798231304 GQZCIRIIKRYAME-OQLLNIDSSA-N 292.363 3.972 30 20 CHED Cc1nn(C(C)C)cc1C=NNc1ccc(Cl)cc1 799105501 ZSYCRDDJLUKCRI-UHFFFAOYSA-N 276.771 3.872 30 20 CHED FC(F)c1ccc(C=NO[C@@H]2CCCCO2)cc1 794525109 ZOGACLWARBPZOZ-GFCCVEGCSA-N 255.264 3.501 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)C2)cc1C#N 799378935 WUOLZXNOEUBZBR-MRXNPFEDSA-N 284.403 3.765 30 20 CHED CCCCc1oc2ccccc2c1C=NNc1nccn1C 790301522 FHBJMKLHUZYGSR-UHFFFAOYSA-N 296.374 3.955 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Oc2ccccc2)cc1 792864505 DVFYINOTFIMZTQ-UHFFFAOYSA-N 265.312 3.707 30 20 CHED CC1CC(C#N)(C(=O)OCc2cccc(C(F)F)c2)C1 795554518 WIRRHMLDERZBKH-UHFFFAOYSA-N 279.286 3.607 30 20 CHED N#Cc1cc(NC(=O)C2CCCCCCC2)ccc1F 86579717 WFIRVBURFVLEFQ-UHFFFAOYSA-N 274.339 3.996 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCCc2cccnc21 91660587 NPZHQRHYOFZJJR-OAHLLOKOSA-N 267.307 3.582 30 20 CHED CN(C)c1ccc(CCNc2ccc(C#N)c(Cl)c2)cc1 1318671944 QZRPRFREEFGSMA-UHFFFAOYSA-N 299.805 3.932 30 20 CHED CS[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 231717647 NDORPXKSPWICTC-TZMCWYRMSA-N 291.376 3.553 30 20 CHED CCCCCCCCOCc1nnc(-c2cccn2C)o1 1322295374 PIUVEJHVDGSEHN-UHFFFAOYSA-N 291.395 3.952 30 20 CHED CC[C@@H](C)CCCCC(=O)OCc1ccc(C#N)cn1 1321156692 HRQQUCHFLYWPFQ-CYBMUJFWSA-N 274.364 3.603 30 20 CHED N#Cc1ccnc(/C=C\c2cc(F)c(F)cc2F)c1 1321824649 GGJVTZGZIDHMMB-UPHRSURJSA-N 260.218 3.541 30 20 CHED Cc1ccc(NN=Cc2cnc(C3CC3)nc2)cc1Cl 1325349797 QUKQVGKXKXKTMV-UHFFFAOYSA-N 286.766 3.762 30 20 CHED N#Cc1cccc(-c2nnc(-c3nccc4ccccc34)o2)c1 1328429090 KBKHKHRKSUNTIS-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C=CCC(F)(F)c1nnc(CCc2ccc(OC)cc2)o1 1327852577 HOFLMPFEAMUNPZ-UHFFFAOYSA-N 294.301 3.531 30 20 CHED CSc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)o1 1328347354 CVFGKKOFXGQJQO-UHFFFAOYSA-N 283.312 3.590 30 20 CHED C#CC[C@@H](CCOC)NCc1csc(Cl)c1Cl 1328789557 SOGQKHXMWSKHQU-JTQLQIEISA-N 292.231 3.573 30 20 CHED Cc1sccc1NC(=O)C1(c2cccc(C#N)c2)CC1 1330026532 UWINDISPEPSUKX-UHFFFAOYSA-N 282.368 3.599 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(-c2cnn(C)c2)cc1 1256332832 VOEZCUINYCSGSH-SFHVURJKSA-N 281.403 3.628 30 20 CHED C[C@@H](CCC#N)CN1CCO[C@H](c2ccc(Cl)s2)C1 1331692985 UTWVYRIAGJLXQD-RYUDHWBXSA-N 298.839 3.715 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1ccc2c(c1)CCO2 1339168564 TUMRLNYKZDDPBG-CYBMUJFWSA-N 287.359 3.700 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CC(C1CC1)C1CC1 1347523232 VXAINPPWPBNYHS-HNNXBMFYSA-N 261.409 3.770 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cccc(C)c1C 1349847956 OOPSSNUUYJSCEU-UHFFFAOYSA-N 264.328 3.736 30 20 CHED C/C(=C/c1nnc(COc2ccc(C#N)cc2)o1)C(C)(C)C 1345655375 GSTOZNRLQCDHFK-XFXZXTDPSA-N 297.358 3.970 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2scnc2c1 1435495922 BKXSHSHGFPYEIM-UHFFFAOYSA-N 293.351 3.729 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2ccc(C#N)cc2F)c1 1356471459 RMOSEIVWJGIHTN-UHFFFAOYSA-N 282.318 3.591 30 20 CHED C=C(CC)C(=O)N(C)[C@H]1CCCc2nc(CC)sc21 1519812179 NFMHMLBJYJXQLQ-LBPRGKRZSA-N 278.421 3.508 30 20 CHED C=C(CC)C(=O)NCc1cccc(COCc2ccco2)c1 1527442515 CGFQOQKEBGCLIC-UHFFFAOYSA-N 299.370 3.579 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc2c1CCCC2 1456112709 TYHYMAAXOLFMCV-UHFFFAOYSA-N 298.430 3.967 30 20 CHED C#CCCCCCCNc1ccc2c(C(=O)O)c[nH]c2c1 1602705187 IAQVTSKZKUZMRQ-UHFFFAOYSA-N 284.359 3.862 30 20 CHED CC1CCC(C)(NC(=O)Nc2cc(C#N)ccc2F)CC1 1466788890 QIDYLOBOANGZPL-UHFFFAOYSA-N 289.354 3.788 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H](C2CCCCC2)C1 1538401949 KEJYQEGAMZNXPD-KRWDZBQOSA-N 296.414 3.909 30 20 CHED C=C[C@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O 1609287266 KCVHSCLBNUPVLK-NSHDSACASA-N 295.747 3.726 30 20 CHED CCC1CCC(CNC(=O)c2ccc(F)c(C#N)c2)CC1 1534621387 ISEGTOMJSGVIQS-UHFFFAOYSA-N 288.366 3.644 30 20 CHED C[C@H](C(=O)O)c1cccc(N[C@H](C)CC(C)(C)C#N)c1 1604123841 MWNQUWNFKHKENH-NEPJUHHUSA-N 274.364 3.615 30 20 CHED Cc1ccc(F)cc1CNc1cccc(OCC#N)c1 227114188 ZILJHKVCLDHJQF-UHFFFAOYSA-N 270.307 3.649 30 20 CHED N#Cc1cccc(OCc2ccc(Cl)c(F)c2)c1 227300203 XTTXTTGTYSTNNU-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC(C)CCSc1ncc(C#N)cc1Br 1612040049 SWGSXLBNSGTUIZ-UHFFFAOYSA-N 285.210 3.854 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1cccc(F)c1C#N 1625221027 QENIEMNCDMYYPW-GFCCVEGCSA-N 276.355 3.644 30 20 CHED N#Cc1ccc(S[C@H](C#N)Cc2ccccc2)cc1 1559361821 LXURYDFUJREWOS-INIZCTEOSA-N 264.353 3.785 30 20 CHED CC(C)(C)C[C@H](N=c1cc[nH]c(C#N)c1)c1ccccc1 1559113074 XEOKNAVTIRVVDO-KRWDZBQOSA-N 279.387 3.965 30 20 CHED COC1(CCN2CCC(c3ccc(C#N)cc3)CC2)CCC1 1648463856 VOUNHZZZTXUQHN-UHFFFAOYSA-N 298.430 3.697 30 20 CHED N#Cc1cc(=NC2(Cc3ccc(Cl)cc3)CCC2)cc[nH]1 1651897253 OBOAGSKIIQCPMR-UHFFFAOYSA-N 297.789 3.606 30 20 CHED Cc1ccc2c(c1)N(c1nc(C#N)c(Cl)s1)CC2 1655035837 GVOGIGRRUSLDQO-UHFFFAOYSA-N 275.764 3.671 30 20 CHED Cc1cc(Nc2nc(C#N)c(Cl)s2)ccc1F 1650723921 IXIQEOHZEZHMMM-UHFFFAOYSA-N 267.716 3.859 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(C)CCC1CC1 1740809364 GIGNZPJJIWDCNG-UHFFFAOYSA-N 294.830 3.534 30 20 CHED N#Cc1nc(Sc2cccc(O)c2)sc1Cl 1650950844 PUQJPVMMGJUHCC-UHFFFAOYSA-N 268.750 3.525 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(OC)c(C#N)c1 1595801715 AEBPPXUTSQRSQL-SWLSCSKDSA-N 286.375 3.722 30 20 CHED CCC[C@@H](NC(=O)Nc1sccc1C#N)C(C)(C)C 1663159593 NXMXMCJTFKLRJS-LLVKDONJSA-N 279.409 3.956 30 20 CHED CCc1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)s1 1776965916 GYAZQLAVMOHQMJ-HWKANZROSA-N 292.381 3.966 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)cc2)cc1 1776114540 RWPVRGWLJUDTJW-UQXQTEIVSA-N 292.334 3.989 30 20 CHED O=C(O)/C=C/c1ccc(/C=C\C(=O)c2ccccc2F)cc1 1776131445 RKNFRZJTTZQANO-DSOJMZEYSA-N 296.297 3.820 30 20 CHED CC[C@@H](C)[C@@H]1CCC(=NNc2ccc(C(=O)O)cc2)C1 1776012815 PGZFVDFRBSOLQE-DGCLKSJQSA-N 274.364 3.999 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cccc(CC(=O)O)c1 1777477289 WVPDIKMDQDXNQI-AATRIKPKSA-N 286.352 3.580 30 20 CHED C[C@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)[C@H]1C 1776074946 DHKSWERIRNHWNG-UWVGGRQHSA-N 278.327 3.748 30 20 CHED O=C(O)c1cccc(NN=C2C[C@@H]3CC=CC[C@@H]3C2)c1 1776038383 HSFMKPBLYHJQRU-TXEJJXNPSA-N 270.332 3.529 30 20 CHED C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccccc1C#N 150895145 FGIFKDZGZAMPDB-OAHLLOKOSA-N 299.418 3.563 30 20 CHED Cc1ccc(NC(=O)[C@@H](C#N)c2nc(C)c(C)s2)cc1C 160137323 DIIJELNFPDVHEF-CQSZACIVSA-N 299.399 3.623 30 20 CHED C[C@@H](CNC1CC(C#N)(c2ccccc2)C1)C(C)(C)C 125264735 GPIVIZCKNVYSMV-NXVRBGIVSA-N 270.420 3.882 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccc(F)cc1F 151978361 QRIGEQCTUKVGIT-VIFPVBQESA-N 271.332 3.601 30 20 CHED CCN(C(=O)c1ccc(OC)cc1C)c1ccc(C#N)cc1 152019521 VTRIUGMKJCPWBN-UHFFFAOYSA-N 294.354 3.542 30 20 CHED CCC[C@@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 153356423 CYJPKWKVIGPWIX-ZBFHGGJFSA-N 272.392 3.974 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1cccc(F)c1F 153750133 WTWYSBAWNUZHFY-UHFFFAOYSA-N 299.386 3.623 30 20 CHED CN(Cc1ccsc1)C(=O)c1ccc(C#N)c(Cl)c1 153833074 KLADHJWFBVQUDO-UHFFFAOYSA-N 290.775 3.545 30 20 CHED CC(C)(C)C(=O)CSc1ccc(C#N)cc1Cl 154182390 OQTNYOUYJIOTGW-UHFFFAOYSA-N 267.781 3.919 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1OC1CCCC1 156605770 WCKDKOLEURGGOC-UHFFFAOYSA-N 274.364 3.706 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1ccc(O)cc1O 156638940 ZJGBXBUGMSELNV-XBXARRHUSA-N 291.306 3.542 30 20 CHED CCOc1cc(C#N)ccc1OCCOc1ccccc1C 11863107 JCALCFOQQFKOPG-UHFFFAOYSA-N 297.354 3.723 30 20 CHED C[C@H](NCCCC#N)c1ccc(Cl)c(Cl)c1 128374329 NEAVDMOBGFNNES-VIFPVBQESA-N 257.164 3.948 30 20 CHED N#Cc1cccc(Br)c1Oc1cccnc1 1306916907 SOJGAOVKLFYTPH-UHFFFAOYSA-N 275.105 3.508 30 20 CHED N#Cc1cc(F)c(N2CC[C@@H]3CCCC[C@H]3C2)c(F)c1 252668050 RGXJNAIVGFMABQ-STQMWFEESA-N 276.330 3.853 30 20 CHED N#Cc1cccc(CN2CC[C@H]3CCCC[C@@H]3C2)c1 35154835 CMAGZKHMROGPQE-IAGOWNOFSA-N 254.377 3.570 30 20 CHED CO[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 37253474 VLSCNDRPKHUTCC-ZIAGYGMSSA-N 264.756 3.581 30 20 CHED N#Cc1ccccc1CN1CCC[C@@H]1C1CCCC1 44352421 HEWOCIGSUUAPTO-QGZVFWFLSA-N 254.377 3.713 30 20 CHED C=CCCC[C@@H](C)Nc1snc(Cl)c1C#N 302000200 IQYIQVBOTRMUAY-MRVPVSSYSA-N 255.774 3.825 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H](C)C1 194584966 ITQSBLLYDUSHOR-SMDDNHRTSA-N 271.364 3.567 30 20 CHED C#CCCCNc1cc(F)c(F)cc1Br 308870910 JPMIVEJCQQIFRP-UHFFFAOYSA-N 274.108 3.553 30 20 CHED C[C@H]1SCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 311815754 DEARWVPHZBCBOH-PELKAZGASA-N 286.322 3.883 30 20 CHED N#CC1(/C(O)=N/C[C@@H]2CCC3(CCCCC3)O2)CCC1 330174523 ZDQAYKNXWJDVFZ-ZDUSSCGKSA-N 276.380 3.519 30 20 CHED N#Cc1cnc(NCc2ccc(Cl)cc2)c(Cl)c1 339227202 ANLIVYRQFAOGKM-UHFFFAOYSA-N 278.142 3.872 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccc(F)cc1F 702262569 HYHZZECHTASGQM-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCCCC(=O)Nc1ccc(O)c(C(F)(F)F)c1 476149132 JXVMPRAYRJIHGF-UHFFFAOYSA-N 273.254 3.706 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCC2(F)F)c(F)c1 381523405 NHCJUCKWMGVCHH-JTQLQIEISA-N 254.255 3.545 30 20 CHED c1ccc(CNN=C2CCCc3sccc32)cc1 814887414 HNYZLWMJAYPILO-UHFFFAOYSA-N 256.374 3.578 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)[C@H]2CCC[C@@H]21 399240625 UBBYFIYOLYDWMV-IRXDYDNUSA-N 268.404 3.763 30 20 CHED CCON=Cc1cccc(OCc2ccccc2)c1 767464437 OXDPQWLQCLKRMM-UHFFFAOYSA-N 255.317 3.636 30 20 CHED CC(C)(C(=O)OCc1ccccc1C#N)c1ccccc1 7469778 MJTDHSYABIBPAR-UHFFFAOYSA-N 279.339 3.579 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1ccc(C#N)cn1 52324871 XRNQVKCSDANHQU-CQSZACIVSA-N 281.359 3.980 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(Cl)c(Cl)c1 57594429 DHRMYVWPRLPEPA-JTQLQIEISA-N 285.174 3.661 30 20 CHED Cc1ccccc1OCCN(C)Cc1cc(C#N)ccc1F 53907112 XZBZHWOPXPXNEI-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C1 173903804 GHPVSEMBZFTISY-FRRDWIJNSA-N 281.359 3.565 30 20 CHED CCCCCCCCC(=O)Nc1ccc(C(N)=O)c(C)c1 103408293 ZZZRQXBROLXVQX-UHFFFAOYSA-N 290.407 3.783 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 69357567 ARICMFRMEGAHRO-KSSFIOAISA-N 299.414 3.646 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cnc(C)s1 171947741 HZZAAPZYOVAXAI-UHFFFAOYSA-N 278.421 3.660 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(O[C@@H](C)CC)cc1 117003253 MWGOJRKKZRNQKX-STQMWFEESA-N 276.380 3.950 30 20 CHED C=CCCCN1CCCCC[C@H]1C[C@@H](O)c1ccco1 247326754 GGJWMARDBJCZED-JKSUJKDBSA-N 277.408 3.914 30 20 CHED CC(=O)c1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 118443123 KZJHCTLVFNAKJC-GFCCVEGCSA-N 264.328 3.934 30 20 CHED CCCC[C@H](CC)CC(=O)NCc1ccc(C#N)cc1 172167646 LIZMTOQJWFAYJQ-AWEZNQCLSA-N 272.392 3.781 30 20 CHED C=CCCN1CCC(Oc2ccc(C)c(C)c2)CC1 172621584 AMHWSSFMHWZOHK-UHFFFAOYSA-N 259.393 3.723 30 20 CHED CC(C)c1ccc(C2(C(=O)NC[C@@H](C)C#N)CCCC2)cc1 171847504 ZDFSVYRDSGFKSJ-HNNXBMFYSA-N 298.430 3.898 30 20 CHED C=CCCCC(=O)Nc1cccc(Oc2cnccn2)c1 175263120 JXTBCPITFYQMFG-UHFFFAOYSA-N 283.331 3.564 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2ccc(C#N)cc2)c1C 115286599 OAKDUCMTLFBFSX-AWEZNQCLSA-N 278.355 3.666 30 20 CHED Cc1[nH]c2c(C(=O)O[C@H]3CC[C@H](C#N)C3)cccc2c1C 179877150 RZIRSAAZVKXYAU-STQMWFEESA-N 282.343 3.634 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC2(c3ccc(F)cc3)CC2)C1 185783374 PQJGSDOSLKLLJQ-CZUORRHYSA-N 272.367 3.529 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1ccc(C#N)cc1[N+](=O)[O-] 301118039 ZOTRVTGYKJCTQS-NSHDSACASA-N 299.305 3.649 30 20 CHED CCCCCCC[C@H](C)NCC1(OC)CCOCC1 136598093 NDANDMZQYNYTPZ-HNNXBMFYSA-N 271.445 3.521 30 20 CHED CC(C)[C@H](Nc1ncccc1C#N)c1nc2ccccc2[nH]1 301059672 BISIJXVOEHGVFH-HNNXBMFYSA-N 291.358 3.639 30 20 CHED CC(C)(C#N)CCCOc1ccc2ccc(=O)oc2c1 177147003 BCKZFVBRJKDGNJ-UHFFFAOYSA-N 271.316 3.502 30 20 CHED COc1ccc(O)c(/C=N/Cc2cc3ccccc3[nH]2)c1 119664179 ILQNWKBJFYJQSN-VCHYOVAHSA-N 280.327 3.501 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)C1CCCCCCC1 172749229 VKTDUMPWEJHULG-UHFFFAOYSA-N 284.403 3.877 30 20 CHED C=CCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 23710350 UYIDWMCBJUUZQA-UHFFFAOYSA-N 271.360 3.709 30 20 CHED C=CCCCCCN1CCOC[C@H]1c1ccc(C)o1 488445407 XWUJPYGWZFSFJG-HNNXBMFYSA-N 263.381 3.708 30 20 CHED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)sc1C 116799594 SCRRVODOYKQFRM-BONVTDFDSA-N 276.405 3.567 30 20 CHED CC[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 408015424 CFBLHTADTHYXFT-GFCCVEGCSA-N 277.755 3.618 30 20 CHED Cc1cc(C)cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1 172027782 BQHKSSOXAHDDJU-INIZCTEOSA-N 298.773 3.952 30 20 CHED CCS[C@@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 176983300 DAEKEPCLRSQPHO-CHWSQXEVSA-N 280.462 3.774 30 20 CHED CC[C@@H](C(=O)Oc1ccc(C#N)cc1OC)c1ccccc1 22368481 YFCBCLLKEPJIMN-OAHLLOKOSA-N 295.338 3.666 30 20 CHED CC(=O)c1ccc(OCCCOc2ccc(C#N)cc2)cc1 60800666 QXZFKWXJURGCKH-UHFFFAOYSA-N 295.338 3.609 30 20 CHED CCCCC(=O)Nc1cc(C#N)ccc1NCCC 173040129 CHNJTIPCUZTOEP-UHFFFAOYSA-N 259.353 3.509 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccccc1 60677783 VSJAHIDASMSZIO-UHFFFAOYSA-N 257.358 3.577 30 20 CHED CC[C@H](C#N)OC(=O)c1oc2c(C)ccc(C)c2c1C 175995048 UXFOLOVULSTHMB-GFCCVEGCSA-N 271.316 3.817 30 20 CHED CCN(Cc1cccs1)Cc1ccc(C#N)s1 120000002 ZTBOHGDCPRXRKX-UHFFFAOYSA-N 262.403 3.703 30 20 CHED Cc1ccc(-c2noc(Cc3ccc(C#N)cc3)n2)cc1F 171789300 DYRLVCAPKNHRDY-UHFFFAOYSA-N 293.301 3.647 30 20 CHED C=CCCCC(=O)Oc1cccc(Oc2ncccn2)c1 175668801 FFRSQYCLIILIOC-UHFFFAOYSA-N 284.315 3.531 30 20 CHED N#CCOc1ccc(CN[C@H]2CCCc3sccc32)cc1 61360056 GDJCTKGLMYIOMO-INIZCTEOSA-N 298.411 3.818 30 20 CHED CC(C)[C@H](CNc1ccc(F)cc1C#N)c1cccnc1 301591726 UGZHRJNTWFFEOX-INIZCTEOSA-N 283.350 3.944 30 20 CHED C=C(Cl)CN1CCC[C@H]1CC(=O)c1cccs1 127331406 WFRBNFPAGNVWIT-NSHDSACASA-N 269.797 3.538 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1ccc(F)c(F)c1 186106300 SSVMOJNQVCYBQL-LLVKDONJSA-N 266.287 3.763 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)cc2)cc1OC 33394435 MBFUXAKECSBERE-NTMALXAHSA-N 282.339 3.908 30 20 CHED C#Cc1cccc(NCc2nc(C(F)(F)F)cs2)c1 151597507 BDBDZAPYQNGULL-UHFFFAOYSA-N 282.290 3.755 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2cccc(F)c2)c1 73012553 LXCYUEDYCRDGDP-QGZVFWFLSA-N 298.361 3.796 30 20 CHED Cc1ccc(C)c(C(=O)COc2ccc(C#N)cc2F)c1 127542113 OUGZQUCJPMFEOB-UHFFFAOYSA-N 283.302 3.576 30 20 CHED C=CCSCCNc1cc(C)nc2ccccc12 218871769 KEMJTTDPDHPXBW-UHFFFAOYSA-N 258.390 3.874 30 20 CHED CC1(C)CCC(C)(CNC(=O)NCCCCC#N)CC1 413253708 WBQDLNJYEFPFEL-UHFFFAOYSA-N 279.428 3.586 30 20 CHED N#CC1(CNC2CC(c3cccc(Cl)c3)C2)CCC1 418142348 MXLTWDVKXFYWEN-UHFFFAOYSA-N 274.795 3.869 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](CC)c1ccncc1 181383112 LFSMCXVVOVFIGW-DZGCQCFKSA-N 275.396 3.577 30 20 CHED C=CCSCCN[C@H](C)[C@H](C)c1ccc(OC)cc1 180454785 HTVPXNYLWLCRRZ-UONOGXRCSA-N 279.449 3.696 30 20 CHED Cc1cccc(C)c1OCCN(C)Cc1ccc(C#N)cc1 506361172 GZOZKDHSLYHPFH-UHFFFAOYSA-N 294.398 3.686 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1cn(C)c2ccccc12 410125927 SBKQWAGGBMMMAJ-HNNXBMFYSA-N 284.403 3.582 30 20 CHED Cc1cscc1CNc1nccc(C#N)c1Cl 235783368 MBRWZFVOVJBNLC-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(O[C@@H](C)CC)cc1 180476642 DGVKPBGJCTXSOM-ZDUSSCGKSA-N 261.365 3.512 30 20 CHED CO[C@H](CSCc1cccc(C#N)c1)CC(C)C 419645246 YQTZVBWNINKTRW-HNNXBMFYSA-N 263.406 3.853 30 20 CHED CC(C)c1ccc(-c2nc(C(=O)N(C)CC#N)cs2)cc1 120858915 FADYIQKWTVKSJF-UHFFFAOYSA-N 299.399 3.529 30 20 CHED CC1(C)CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 443141143 LVJGHBCPDLZWFC-CQSZACIVSA-N 271.364 3.649 30 20 CHED CCc1cccc(NC(=O)CSc2ccc(C#N)cc2)c1 509648795 BGSKNXYZISOWFJ-UHFFFAOYSA-N 296.395 3.851 30 20 CHED N#Cc1cc(Cl)ccc1Cn1nccc1-c1cccnc1 185364909 FDKVNWQXUKAUQJ-UHFFFAOYSA-N 294.745 3.518 30 20 CHED CC(C)C[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 127684411 CGMUNYDHJYMKAY-KGLIPLIRSA-N 260.381 3.502 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc(C2CCCC2)cc1 417615109 WQRQTVZHSUFCFF-QGZVFWFLSA-N 287.403 3.853 30 20 CHED Cc1cc(NC(=O)NCC2(C#N)CCC2)cc(C)c1Cl 417091725 CODTYOGBADPWSF-UHFFFAOYSA-N 291.782 3.772 30 20 CHED C=C(Br)CSC1=Nc2ccccc2C1 77493241 FVTLDPWHWOKLJI-UHFFFAOYSA-N 268.179 3.915 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC[C@H](C)C1 185772133 ZXDOWGUAPVIMDX-KBPBESRZSA-N 252.402 3.563 30 20 CHED CC(C)c1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1 72587533 UNYDGBFXXFFBPN-UHFFFAOYSA-N 299.418 3.565 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1nc(C(C)(C)C)cs1 411525537 CFIWDARDLVDGJD-GHMZBOCLSA-N 265.426 3.783 30 20 CHED C=CCOc1cccc(NC(=O)NCc2ccc(C)cc2)c1 72025416 PPKXMQWPJQYRDG-UHFFFAOYSA-N 296.370 3.882 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(CNC)cc1 415969557 GIGCMKHYXMMJPF-UHFFFAOYSA-N 289.423 3.616 30 20 CHED C[C@H](CCC#N)Sc1nnc(Cc2cccs2)o1 188309568 FFOFGMYRKWTKDH-SECBINFHSA-N 279.390 3.506 30 20 CHED COc1ccc(C#N)cc1CN(C)C1CCC(C)(C)CC1 130487812 HPICEYOCGMYIII-UHFFFAOYSA-N 286.419 3.967 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(OC)cc(Cl)c1F 411200442 NCOSQJMPSNMAHW-UHFFFAOYSA-N 285.746 3.526 30 20 CHED CCC(CC)CN(CC)C(=O)C(C#N)(CC)CC 44766307 HREYGOOPUQCIGI-UHFFFAOYSA-N 252.402 3.601 30 20 CHED C=C1CCN(Cc2cc(-c3ccc(C)cc3)no2)CC1 524564109 AHVLZIGUUOZAAR-UHFFFAOYSA-N 268.360 3.802 30 20 CHED CC[C@H](C#N)OC(=O)CCc1ccc(C(C)C)cc1 84712551 PKZJDFGUNGMJET-OAHLLOKOSA-N 259.349 3.588 30 20 CHED N#CCCCOc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 193083200 RFNAGJVVEIFJFW-HUUCEWRRSA-N 283.375 3.863 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(F)cc2Cl)c1 42199386 ANYTWHLEZWNNGX-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1c(C#N)cccc1C(=O)NCc1ccc(C(C)C)cc1 509157819 XQXZBUJGJBLHMQ-UHFFFAOYSA-N 292.382 3.920 30 20 CHED C=CCC[C@H](NCc1ccc2c(c1)CNC2)c1ccco1 423387447 MUYLNCPKYIJVAE-KRWDZBQOSA-N 282.387 3.680 30 20 CHED Cc1noc(C)c1/C=C1\CSc2ccc(F)cc2C1=O 192753116 WXSGYBKOOAAXRN-BJMVGYQFSA-N 289.331 3.803 30 20 CHED N#Cc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1 45027082 PHWRFLVPRRIPQG-UHFFFAOYSA-N 299.761 3.576 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCc1cccs1 48644771 VBJHBXHZNDVJLT-UHFFFAOYSA-N 292.429 3.707 30 20 CHED CC(C)(C#N)CCCn1ccc(-c2ccsc2)n1 135499963 AKXKVKCIVXAIQV-UHFFFAOYSA-N 259.378 3.942 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1ccc(F)cc1F 84731301 CUBBIOAXGCEXCN-IBGZPJMESA-N 285.359 3.543 30 20 CHED C[C@@H]1CCC[C@@H](/N=C(/O)Nc2scnc2C2CC2)C1 328926256 OSQRJUJFTGDOEH-MWLCHTKSSA-N 279.409 3.925 30 20 CHED CO[C@H]1CCCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 88191296 RGXOFZGMNNRZRA-KBPBESRZSA-N 298.308 3.947 30 20 CHED CC(C)c1ccoc1-c1noc(-c2ccc(C#N)cc2)n1 426209588 UCDRKHHIUPSZKR-UHFFFAOYSA-N 279.299 3.992 30 20 CHED C=CCC(C)(C)CNCc1c[nH]nc1-c1ccsc1 339418922 XOUOTQBEVUAIGR-UHFFFAOYSA-N 275.421 3.830 30 20 CHED CC[C@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 429781766 FQUSVJCYAOIUFP-GOEBONIOSA-N 261.796 3.860 30 20 CHED CC(C)Oc1ccc(NC(=O)C(C)(C)C2CC2)cc1C#N 514189584 MQUNVDNKOHLGPF-UHFFFAOYSA-N 286.375 3.720 30 20 CHED C#CCCCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 192081367 JFXFNHDIOQWGSE-UHFFFAOYSA-N 284.186 3.755 30 20 CHED Cn1ccc2cccc(NCc3ccc(C#N)cc3F)c21 190814606 DABCOTVKIIWUCN-UHFFFAOYSA-N 279.318 3.801 30 20 CHED C[C@H]1CN([C@H](C)c2cccc(C#N)c2)Cc2ccccc2O1 429132327 ZITBZJFKANGXGW-LSDHHAIUSA-N 292.382 3.902 30 20 CHED CCN(C(=O)CC1(C)CC1)[C@H](C)c1ccc(C#N)cc1 428192899 PEMBVICPEHNLQK-CYBMUJFWSA-N 270.376 3.658 30 20 CHED COC1(CCSc2ccc(C#N)cc2F)CCC1 338554736 XZQWSOJIZVHVHU-UHFFFAOYSA-N 265.353 3.749 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1ccc(C)cc1)C1CCC1 427521573 KWCVYGNSYFNUQP-QAPCUYQASA-N 273.420 3.610 30 20 CHED Cc1ccccc1-c1nnc(S[C@H]2CC[C@@H](C#N)C2)o1 336600194 QZFMFBBGICUAFU-NEPJUHHUSA-N 285.372 3.829 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(CC#N)C2CCCC2)o1 93563290 MEXKCHSXTXPGDE-IUODEOHRSA-N 258.365 3.671 30 20 CHED Cc1cccc([C@H]2CCCN2CC(C)(C)CCC#N)n1 93453688 YZCDATQVYILOHZ-MRXNPFEDSA-N 271.408 3.857 30 20 CHED CC[C@@H](C#N)N[C@H](COc1ccccc1F)C(C)(C)C 435919789 BLWXOJDOYJRJGT-SWLSCSKDSA-N 278.371 3.511 30 20 CHED C[C@]1(CNc2cccc(C#N)n2)C[C@@H]1c1ccccc1 338743782 SDFSODKKIRKCAQ-NVXWUHKLSA-N 263.344 3.559 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CCC(CCC)CC1 435731284 JATWNTGXTOKHEB-ODZFXCKXSA-N 265.441 3.916 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(NC(C)=O)cc1Cl 339843411 SIBGPNIIADQNMO-UHFFFAOYSA-N 294.782 3.839 30 20 CHED CCCCn1ncc(N=C(O)N2[C@H](C)CC[C@H]2CC)c1C 330665663 VRMPTTXXDZZSSS-TZMCWYRMSA-N 292.427 3.800 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435356972 JPFAJUWTJPHXFN-WMLDXEAASA-N 286.375 3.720 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(C2CCCC2)c1CC 341625252 AFJYDOAUBQQASE-CYBMUJFWSA-N 289.423 3.645 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc2ccccc2n1 343474451 SJVIIENWGFIGDN-UHFFFAOYSA-N 294.398 3.662 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 523963101 XLZFLNKSFNZCCJ-CABCVRRESA-N 289.419 3.967 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)CCC#N)c(F)c1 348196670 HQDTZHFISUJIIC-LBPRGKRZSA-N 278.371 3.815 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)Sc2ccccc2)CC1 521955567 NSDZTLWGMFYPKT-INIZCTEOSA-N 289.444 3.982 30 20 CHED N#Cc1cc(NC(=O)c2ccc(C(F)F)cc2)ccc1F 342738548 TVJCFLOQTYVKNN-UHFFFAOYSA-N 290.244 3.887 30 20 CHED O=C(/C=C\c1cnn(Cc2ccccc2)c1)c1ccsc1 255084643 UZINDXPCSHSZMJ-SREVYHEPSA-N 294.379 3.889 30 20 CHED C[C@H](CCC#N)CNc1cccc(OC(F)F)c1 602485843 VWEKAWFHBGYBDY-SNVBAGLBSA-N 254.280 3.640 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(OCC(F)F)cc2)n1 342789857 PUYPIKLAJJEBOR-UHFFFAOYSA-N 289.285 3.649 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1CCCC1(C)C 602386088 HOORSIGUCCAGOJ-AWEZNQCLSA-N 288.366 3.817 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1cc(C#N)oc1C 436182688 HNQXJZCWQWKLKQ-CYBMUJFWSA-N 276.380 3.796 30 20 CHED C=CCCCCCN(C)C(=O)CO[C@@H]1CCCC[C@@H]1C 606813933 CBTRMRFSCFQKIL-JKSUJKDBSA-N 281.440 3.787 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(CC(C)C)cc1 604352989 VDZJUWRRXDDYEG-AWEZNQCLSA-N 272.392 3.507 30 20 CHED N#Cc1ccc(SCCc2ccc3c(c2)CCO3)cc1 525118015 JVQKXRAGAIDHDU-UHFFFAOYSA-N 281.380 3.828 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1ccc(C)c(F)c1 523550849 CNDVNNAQLYNRNQ-UHFFFAOYSA-N 292.398 3.751 30 20 CHED Cc1nc(SCC2(C#N)CC2)n(CC(C)C)c1C 347020909 LJQMERFSBAUDBZ-UHFFFAOYSA-N 263.410 3.552 30 20 CHED CCN(CCC#N)Cc1ccc(-c2ccccc2C#N)cc1 348538724 FTBATNMKIBEGPK-UHFFFAOYSA-N 289.382 3.961 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1ccccc1C(F)(F)F 449548643 PFVPKJPLKRYZBA-KGLIPLIRSA-N 285.309 3.529 30 20 CHED C=CCOc1ccc(CN[C@@H](C)[C@H]2CC23CC3)cc1 527899475 RUJUFEHLDDLTGV-XJKSGUPXSA-N 257.377 3.530 30 20 CHED C=CC1CCN(C(=O)N[C@@H](CCC)c2ccccn2)CC1 600869332 KXPCUSAKYTYNFS-INIZCTEOSA-N 287.407 3.530 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2ccccc21 537228024 ABCKHWSVCYXRCD-RHSMWYFYSA-N 271.404 3.968 30 20 CHED C=C(C)COc1cc(CN(CC)CC2CC2)ccc1OC 539827823 FVNFJGLNACTLLO-UHFFFAOYSA-N 289.419 3.882 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccccc1F)C1CCCC1 538226525 SPOCBIMKSLBYQX-QAPCUYQASA-N 291.410 3.974 30 20 CHED C=C(CC)CNCc1ccc(OCc2ccncc2)cc1 449736791 XNWJKIGBUOTYFT-UHFFFAOYSA-N 282.387 3.716 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)cc2C)C2CC2)o1 614397618 JVXPBHYHGBPDKP-UHFFFAOYSA-N 280.371 3.933 30 20 CHED CC(C)(C#N)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 611617907 PJRVDTAXKZYARY-UHFFFAOYSA-N 287.241 3.575 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(C)cc2)C1 617781751 TWHJWPOKKOWLRO-SJLPKXTDSA-N 285.431 3.988 30 20 CHED C[C@]1(C#N)CCCN(CCOc2cccc3ccccc23)C1 612160557 JHROLGUWGPTOCL-LJQANCHMSA-N 294.398 3.844 30 20 CHED CCC(CC)N(Cc1cc(F)ccc1C#N)C1CC1 532345722 RHVVYWTXTRVSRW-UHFFFAOYSA-N 260.356 3.850 30 20 CHED C=CCOCC(=O)Nc1cccc(Oc2ccccc2)c1 354239271 PFIOESSUHSVHMI-UHFFFAOYSA-N 283.327 3.620 30 20 CHED CC(C)n1c([C@@H]2CCCN2CCC#N)nc2ccccc21 266874613 RYDRMUIUTBHEBL-INIZCTEOSA-N 282.391 3.668 30 20 CHED C[C@@H](COc1cccc(F)c1)NC1CCC(C)(C#N)CC1 449083517 BXYYFKXBNHOXFZ-KTAKPFMOSA-N 290.382 3.655 30 20 CHED CC[C@@H](NC(=O)NCCCCC#N)c1ccc(Cl)s1 265193758 YTRVNXZFZLUNPI-SNVBAGLBSA-N 299.827 3.846 30 20 CHED C=C(CC)CSc1nnc(-c2ccncc2)n1C1CC1 358564830 TYRUQLCKIONOCA-UHFFFAOYSA-N 286.404 3.733 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCSC1 266302360 BVTGULCDANPQDN-SVOHMGGZSA-N 276.188 3.623 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCO[C@H](c2ccncc2)C1 449544081 VHMVPCNVGIBMEV-ULQDDVLXSA-N 274.408 3.636 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)Cc1ccccc1C)OCC 535136171 AKWIUHNNKDAMNP-KRWDZBQOSA-N 289.419 3.715 30 20 CHED Fc1ccc(C#CCN(Cc2cccs2)C2CC2)cc1 448452953 SUTTVZCNRHHFMS-UHFFFAOYSA-N 285.387 3.903 30 20 CHED Cc1nc(C)c(C#N)c(SCCC2CCCC2)n1 356576045 ISUJHDYONYIMNW-UHFFFAOYSA-N 261.394 3.638 30 20 CHED CCOCCC1(CNc2snc(Cl)c2C#N)CCC1 268810707 HEBUIUJQSXIZFH-UHFFFAOYSA-N 299.827 3.677 30 20 CHED CCc1c(C)sc(NC(=O)c2coc(C)c2)c1C#N 445627299 FHGMCJRWBROYBO-UHFFFAOYSA-N 274.345 3.644 30 20 CHED C=C(C)CCc1noc(Cc2cc(C)ccc2F)n1 453180885 KSLRJGHQHOYNHD-UHFFFAOYSA-N 260.312 3.617 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CCCCC1(F)F 450427292 RZOVJOIPEYJBMQ-NWDGAFQWSA-N 259.340 3.673 30 20 CHED N#CCSCCCN1CCC[C@H]1c1cccc(F)c1 266743777 OSFJSLQHRLGAHX-HNNXBMFYSA-N 278.396 3.609 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1OC(F)F 453374905 XDAINTHZDNBZQU-BNOWGMLFSA-N 297.345 3.672 30 20 CHED COCCN(CCC#N)Cc1c(C)ccc2ccccc12 610821173 UXXZLEGXQOXRAT-UHFFFAOYSA-N 282.387 3.510 30 20 CHED CCCCNC(=O)Nc1ccccc1SC[C@@H](C)C#N 264533033 KNDFSYGNTVCUNN-LBPRGKRZSA-N 291.420 3.860 30 20 CHED C=CCCCC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 456459130 SKELCIIBUBDKRK-LLVKDONJSA-N 283.293 3.564 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(F)cc1C 454658870 FJYQROSQDNFRIX-DOMZBBRYSA-N 276.355 3.555 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccccc1[N+](=O)[O-] 618693860 RHGNWZTZIJLWNI-AWEZNQCLSA-N 279.299 3.566 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CC[C@H](SCC)C1 458807963 HOTMHMNVMBXLOJ-KGLIPLIRSA-N 298.496 3.904 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)c1c[nH]c2ccccc12 452778304 XOUBWEIAGLYAGQ-ZDUSSCGKSA-N 284.403 3.990 30 20 CHED C=CCC[C@H](NCC(C)(C)C(C)(C)O)c1ccco1 453373440 SPKLPGVGGTUMBU-ZDUSSCGKSA-N 265.397 3.674 30 20 CHED C=C(C)CCN[C@H]1CC2(CCC2)Oc2ccccc21 453316642 KVAAYOBMZLOWRQ-HNNXBMFYSA-N 257.377 3.989 30 20 CHED C=CCCC1(C(=O)Nc2cc(C)nc(C(C)C)n2)CC1 361639106 NLDAZDFYSNXMMI-UHFFFAOYSA-N 273.380 3.593 30 20 CHED C#C[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 274823856 QOVULXFZRZLENV-UWVGGRQHSA-N 299.201 3.718 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1ccccc1OC(F)F 454235966 ZVBINASOBBEBFS-LLVKDONJSA-N 298.333 3.614 30 20 CHED Cc1ccc2c(CCN[C@H]3CCC[C@H](C#N)C3)c[nH]c2c1 274219105 PJBVTYUJQHMKFF-HOCLYGCPSA-N 281.403 3.691 30 20 CHED Cc1ccnc(N2CC[C@H](c3ccccc3)[C@H]2C)c1C#N 541280207 YTFMJIULAWLADJ-ZBFHGGJFSA-N 277.371 3.644 30 20 CHED C=CC(C)(C)CNC(=O)CCc1c[nH]c2c(C)cccc12 452777799 VYWIUFKSNLUDFE-UHFFFAOYSA-N 284.403 3.737 30 20 CHED C=C(C)CCNC1CCC(N(C)Cc2ccccc2)CC1 453305913 ALRNPWDRPFESDV-UHFFFAOYSA-N 286.463 3.985 30 20 CHED C=CCN(C(=O)N[C@@H](c1ccccc1)C1CCC1)C1CC1 540111975 KVEBUESYSGGHQI-KRWDZBQOSA-N 284.403 3.888 30 20 CHED C=CCC1(c2nc(CCC3CCOCC3)no2)CCCC1 453189493 SADNMHVGCIEQPG-UHFFFAOYSA-N 290.407 3.817 30 20 CHED N#Cc1cccc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 270009036 ACTSBFRAGPKDNN-YOEHRIQHSA-N 293.370 3.533 30 20 CHED C=C(C)[C@@H](NC[C@H]1CCSC1)c1ccc(F)c(F)c1 278881352 ZOCXFZFVDQZFPO-IAQYHMDHSA-N 283.387 3.925 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](c2ccccc2F)C1 276909500 KKHYCMAWUODIKJ-GUYCJALGSA-N 275.367 3.744 30 20 CHED C=CCCN(C)C(=O)c1sc2cccc(F)c2c1C 466649524 WXNDMPYCQPQIBZ-UHFFFAOYSA-N 277.364 3.997 30 20 CHED C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)CC12CCC2 271248621 HBEGYERAZNQDQK-ZDUSSCGKSA-N 283.375 3.602 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)CC(C)(C)C#N 278349893 MWGAVDDJAAABAR-YCPHGPKFSA-N 284.403 3.719 30 20 CHED C=C(C)COCCN[C@H]1CCc2cc(F)c(Cl)cc21 623920452 MWTBTOXZCVTEGI-HNNXBMFYSA-N 283.774 3.649 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CCC[C@@H]2F)c1 549705963 OVIJCGRDSFWDLL-WDEREUQCSA-N 272.245 3.880 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1(CC)CC 463234458 JLSJHCMCBYGACU-LVQVYYBASA-N 278.440 3.642 30 20 CHED C=C(C)[C@H](CC(=O)N1[C@@H](C)CCC[C@H]1CC)OCC 620576808 IJFLPJGWIZLQSB-ZNMIVQPWSA-N 267.413 3.537 30 20 CHED C[C@H](NC(=O)c1ccc(F)c(C#N)c1)[C@@H](C)c1ccccc1 547764304 CTYHIYWPYGCQST-OLZOCXBDSA-N 296.345 3.619 30 20 CHED C=CCCC(C)(C)NC(=O)c1sccc1CC 620861484 RSOHYIAUJDYFJI-UHFFFAOYSA-N 251.395 3.785 30 20 CHED N#CCCCCNCc1c(F)cccc1OC(F)(F)F 284050377 SHXJZGFIUMYJHS-UHFFFAOYSA-N 290.260 3.508 30 20 CHED C=CCC[C@H](N[C@H](C)c1ncc[nH]1)c1ccccc1 285930552 CXMHAPCFTUFWAC-HIFRSBDPSA-N 255.365 3.768 30 20 CHED N#Cc1cc(CNC2(c3ccc(F)cc3)CC2)ccc1F 468268588 BNJRMFZNKGAUMD-UHFFFAOYSA-N 284.309 3.615 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCC[C@@H](C)C1 466315999 CJBJIZJIQBSOKM-RDBSUJKOSA-N 252.402 3.561 30 20 CHED C=CCNC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 464784619 ZXWSLAWGWDMYKU-HNNXBMFYSA-N 276.355 3.542 30 20 CHED CC#CC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C 283223878 OFVBRRLSPJPSQO-CYBMUJFWSA-N 298.411 3.661 30 20 CHED C=CCC(C)(C)CNCc1c(C)nn(C(C)(C)C)c1C 555594359 WUUKINKVZGAXLB-UHFFFAOYSA-N 277.456 3.947 30 20 CHED CC(C)(C#N)CCNc1cccc(OC[C@@H]2CCCO2)c1 288724093 MLMPZRNDVJEJCK-INIZCTEOSA-N 288.391 3.596 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)c1cccc(F)c1 281098446 PSUYXLLQGDYVCB-CQSZACIVSA-N 263.356 3.574 30 20 CHED N#CC1CCN(c2ccnc3c(Cl)cccc23)CC1 286224535 LLTFYQBHSJPJGE-UHFFFAOYSA-N 271.751 3.628 30 20 CHED C=C[C@H](C)NC(=O)NCc1ccccc1Oc1ccccc1 465225267 PKOUOVWRDUPIDM-AWEZNQCLSA-N 296.370 3.853 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](Cc1ccc(F)cc1)C(C)C 467065893 RUBKYMZMHJYLHZ-XJKSGUPXSA-N 292.398 3.657 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2CC=CCC2)CCCC1(C)C 470309236 PRVZHRKLUZPXGH-HUUCEWRRSA-N 261.409 3.936 30 20 CHED C=CCNC(=O)N1CCC(CC)(Cc2ccccc2)CC1 473980772 GFQDFHAXCQRJJK-UHFFFAOYSA-N 286.419 3.617 30 20 CHED C=CCCCC(=O)N[C@H](Cc1ccc(F)cc1)C(C)C 479939056 HNRZMRYIXPYUGK-MRXNPFEDSA-N 277.383 3.865 30 20 CHED N#CCCCCCC(=O)OCc1cccc(Cl)c1 805695576 AGCNYTQNIFUOLX-UHFFFAOYSA-N 265.740 3.857 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(C(C)(F)F)cc1 292815637 OLXPNVDBIXUAHK-UHFFFAOYSA-N 282.334 3.516 30 20 CHED CN(CCCCC#N)[C@@H]1CCC[C@@H]1c1ccccc1 297666917 ZNCWGUTXNOKLAP-IAGOWNOFSA-N 256.393 3.948 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C[C@@H](C)c1ccccc1 804834977 SCWBSJVDXWOLGT-QGZVFWFLSA-N 291.394 3.842 30 20 CHED C=CCCC(=O)N1CCC[C@]1(C)Cc1ccccc1F 648526574 YBCYXWCVQBTSTB-QGZVFWFLSA-N 275.367 3.716 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](c2cccc(C)c2)C1 472846279 GSGDSYRUADPXFC-KRWDZBQOSA-N 286.419 3.850 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2cccc(F)c2)C1 292903264 VEGYQISKHNFBEV-AWEZNQCLSA-N 275.367 3.744 30 20 CHED C=CCOCCCN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 470790319 RMRQCUSMFYAPED-HOCLYGCPSA-N 277.383 3.596 30 20 CHED C[C@H](SCC#N)c1cccc(Br)c1 291663890 PDUMQCPVHBWSAS-QMMMGPOBSA-N 256.168 3.767 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(C(F)F)c1 292979683 QVTFIGMWTSRPLJ-UHFFFAOYSA-N 279.290 3.558 30 20 CHED N#CCc1ccc(CSc2ccc3c(c2)OCCO3)cc1 399244926 VOQZSQDOXBAIBO-UHFFFAOYSA-N 297.379 3.816 30 20 CHED CCCCN(C)C[C@H](C)/N=C/c1cc(Cl)ccc1O 809144248 ICWFTJHYSFCHCX-VAKHEIKFSA-N 282.815 3.585 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC2(CCCC2)C1 802603134 ZYRPUJRLGMCXNA-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2ccccc2C)CC1 648467066 UHMSYCHKVQYTOQ-UHFFFAOYSA-N 269.388 3.869 30 20 CHED C[C@H](Cc1ccccc1F)N[C@@H]1CCc2ccc(C#N)cc21 564383397 ZNOGRIHORYXUSH-BFUOFWGJSA-N 294.373 3.905 30 20 CHED CC#CC(=O)Nc1cc(Cl)ccc1NCc1ccccc1 801168329 PSXZYZITYIPRDL-UHFFFAOYSA-N 298.773 3.914 30 20 CHED CSC[C@@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 292157055 CTOXONVSFKNDMX-CYBMUJFWSA-N 297.427 3.686 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)Cc2nc(Cl)ccc21 806578159 ODBYNLLLRIWVJR-YFHOEESVSA-N 273.694 3.697 30 20 CHED C[C@H]1CCC[C@@H]1NCc1cc(C#N)ccc1Br 800390497 CUUKZVRATWPDBL-HZMBPMFUSA-N 293.208 3.599 30 20 CHED C#C[C@@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(C)(C)C 807879662 ZJMUDROPZCJUNK-CYBMUJFWSA-N 298.213 3.700 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2cc3ccccc3o2)no1 560048168 QLFJLVRFRNXXOR-MRXNPFEDSA-N 281.315 3.598 30 20 CHED CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(C#N)c(C)c1 566223641 SXDSZUVOVCSQIF-CHWSQXEVSA-N 290.432 3.652 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2CCC2CCCC2)c1 561260615 IJBYVBCSTJXCEF-MRXNPFEDSA-N 269.392 3.892 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 397603779 MPAMPLUFBBBYPZ-HNNXBMFYSA-N 292.382 3.535 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccccc1)C1CC1 647070373 WBWNRWGUIZVTEA-FUHWJXTLSA-N 271.404 3.899 30 20 CHED CCCN(Cc1cc(C#N)n(C)c1)CC1CCCCC1 483264142 DSPHJKHYKZYJIJ-UHFFFAOYSA-N 273.424 3.689 30 20 CHED C#C[C@H](NC(=O)[C@H](C)c1ccco1)c1ccc(Cl)cc1 811948130 YOYVIOIMWJDAPV-RISCZKNCSA-N 287.746 3.527 30 20 CHED CC(=NOC1CCC1)c1nc2cc(Cl)ccc2n1C 812236681 RVZPXECWIRYXTJ-UHFFFAOYSA-N 277.755 3.520 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1ccc(C)s1 819816362 ZXMJHOJBYQBRCE-NSHDSACASA-N 259.378 3.526 30 20 CHED C=CCCNCc1ccc(OC)c(O[C@H](C)CC)c1 657582821 IFNOQTKNBZPQOE-CYBMUJFWSA-N 263.381 3.538 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCO[C@H](C2CC2)C1 657980940 UDNZBXQTKIIIHY-SIXLDLHFSA-N 263.425 3.669 30 20 CHED C=CCCCC(=O)N(CC)c1ccccc1C(=O)OCC 480843523 MMFKWTPSPRPACP-UHFFFAOYSA-N 289.375 3.573 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3ccc(C#N)c(C)n3)C2)cc1 487756376 CWRYJDLARLDMOU-KDOFPFPSSA-N 291.398 3.953 30 20 CHED Fc1cccc(N2CCCC2)c1C=NOCCC1CC1 814247031 NSMLWGYTBSONIL-UHFFFAOYSA-N 276.355 3.577 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccnc(Cl)c1 812243280 ILCKWCQHWFQPMM-RQOWECAXSA-N 291.709 3.779 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccccc1C#N 814852949 VIZHESYJAWXMJM-UHFFFAOYSA-N 271.270 3.673 30 20 CHED c1ccc(CN2C[C@H]3CCCC(=NOCC4CC4)[C@@H]3C2)cc1 814244552 ZPEHALWNZIAUIU-QZTJIDSGSA-N 298.430 3.701 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc(F)c(C)c2)no1 810277671 UUKCOUUKSPJKEC-UHFFFAOYSA-N 292.313 3.756 30 20 CHED C#Cc1cccc(NC(=O)c2cccc(OCC(C)C)c2)c1 817842567 PZDXCMRIVKGLFO-UHFFFAOYSA-N 293.366 3.955 30 20 CHED C[C@@H](C[C@@H]1CCCO1)Nc1cccc(C(F)F)c1C#N 570107035 RZPUMOOHMHTZJX-QWRGUYRKSA-N 280.318 3.865 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 480373966 YWOOHOSCALPVIF-CABCVRRESA-N 281.440 3.690 30 20 CHED CC1(C)CC[C@@H]1Nc1ccc2cc(C#N)ccc2n1 579866693 BNFRRVOQAAZJLP-AWEZNQCLSA-N 251.333 3.707 30 20 CHED C=CCN(C)Cc1ccc(-c2cccc(F)c2F)o1 483344378 ROCLMGFBRCLWTP-UHFFFAOYSA-N 263.287 3.843 30 20 CHED CSCCCC=NNc1nccc2sccc12 814809279 VNSAOSXPWRUXPV-UHFFFAOYSA-N 265.407 3.837 30 20 CHED CC[C@H](C#N)OC(=O)CCCc1ccccc1Cl 810623380 ADLPKHLPRFWVPG-GFCCVEGCSA-N 265.740 3.508 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H](CC(C)C)C1 489037005 HOVCQQFEDDNKQI-OAHLLOKOSA-N 274.408 3.572 30 20 CHED COCCCNN=C1CCCC[C@@H]1C1=CCCCC1 814918908 HLJBODIJTMPJLZ-OAHLLOKOSA-N 264.413 3.659 30 20 CHED N#Cc1ccc(NN=C2Cc3[nH]c4ccccc4c3C2)cc1 814802987 FLHUOISJOVDBGJ-UHFFFAOYSA-N 286.338 3.606 30 20 CHED CC(C)CCC=NNc1oc(C(C)(C)C)nc1C#N 814822405 ZBKSVHWKGRDAQX-UHFFFAOYSA-N 262.357 3.678 30 20 CHED CCCCCCCCN[C@H](C)c1ccc(CN)nc1C 817912960 LHXDYTXNQMKZKT-CQSZACIVSA-N 277.456 3.860 30 20 CHED C=C(C)CCNc1cc(Cl)ccc1-n1cccn1 571838614 NLSBGUPDFWUHNK-UHFFFAOYSA-N 261.756 3.904 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)c1ccc(C)c(F)c1 489040754 MEBRTDGBADSLFH-ZDUSSCGKSA-N 286.350 3.613 30 20 CHED C=CCCCCN[C@@H](c1nc(C)cs1)C1CC1 570364809 PIJUJEMFQHVQFB-CYBMUJFWSA-N 250.411 3.849 30 20 CHED C=C(C)[C@H](NC[C@@H]1C[C@@H]1C)c1ccc(F)c(F)c1 488561024 PZQSGOHMOZGQTA-WBIUFABUSA-N 251.320 3.828 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@H]1CCCC)C(C)C 727945358 OSHMKXXVJHJJJT-HUUCEWRRSA-N 266.429 3.951 30 20 CHED C[C@@]1(COc2ccc(C#N)c(F)c2)CC1(Cl)Cl 829165986 LRCQNEUUWICSIB-NSHDSACASA-N 274.122 3.660 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(N2CCCC2=O)cc1 824789514 CZUTWJMSUBZCKM-CQSZACIVSA-N 286.419 3.676 30 20 CHED C=CCOc1ccc(/C=C\c2n[nH]cc2C=O)cc1Cl 727267630 YRVISQTVJWOSKG-HYXAFXHYSA-N 288.734 3.611 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc2c(c1)CCC2 828669773 QNBFZMNFWZTNDY-ZDUSSCGKSA-N 254.377 3.520 30 20 CHED Cc1cc(O)c(CNCC(C)(C)CCC#N)cc1Cl 825940333 UCMNLOVVYKWBLS-UHFFFAOYSA-N 280.799 3.774 30 20 CHED CC(C)C#CC(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 822373006 VRFQQDFIDUJVSN-MRXNPFEDSA-N 298.430 3.659 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)NCC1(C#N)CC1 576925519 NOHQUVGYWBMDPB-INIZCTEOSA-N 299.418 3.685 30 20 CHED Fc1ccc(C=NNc2cccc3cnccc23)cc1F 728432118 MXWKSRGUAHJQRI-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C=CCC[C@H](C)NCC[C@]1(C)CC1(Cl)Cl 824971043 NXJJBEYTYPIVHK-WDEREUQCSA-N 250.213 3.905 30 20 CHED C[C@H]1CCN(C)c2ccccc2N1C(=O)CCCCCC#N 588932364 GRDQBACRMIXJDL-HNNXBMFYSA-N 299.418 3.722 30 20 CHED Cc1ccccc1C(C)(C)CNc1cc(C#N)ccn1 584070586 ORHKJUFVRLOOSV-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 826749488 UNEQMPXWFPKJGX-ZDUSSCGKSA-N 298.411 3.647 30 20 CHED C=C1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 668303875 XELZCIRPNNPDKG-WKILWMFISA-N 261.409 3.772 30 20 CHED Cc1nc(N2CCS[C@H](c3ccccc3)C2)ccc1C#N 589864973 MAWLGJJGIDEBLH-INIZCTEOSA-N 295.411 3.556 30 20 CHED CC(C)O[C@@H](CN1CCC[C@@](C)(C#N)C1)c1ccccc1 589990770 BGOVNCONKHWXCV-ROUUACIJSA-N 286.419 3.778 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)CCCCCC#N)C1 588156802 BGQQRBLDEPHDHT-CABCVRRESA-N 264.413 3.791 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1C 588599037 HEJLBNSCAJOXEB-FPLPWBNLSA-N 256.301 3.801 30 20 CHED Cc1cc2cc(CNC(=O)CCCCCC#N)ccc2[nH]1 588167052 CZZIWTWAJVKTKY-UHFFFAOYSA-N 283.375 3.567 30 20 CHED CC1CC(C(=O)OC[C@H](C)C#N)(c2cccc(Cl)c2)C1 835238694 QGEDNCSVXRWIPB-BWBHSNQOSA-N 291.778 3.711 30 20 CHED CC[C@H](NCC1(C#N)CC1)c1cccc(Br)c1 903101610 KCJUUNYVCVYNLW-ZDUSSCGKSA-N 293.208 3.794 30 20 CHED C#CCCCCNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 836759486 QGUQWQXVKIEEOV-GFCCVEGCSA-N 297.320 3.886 30 20 CHED N#CCCCC(=O)O[C@H]1CCCc2c(F)cc(F)cc21 835509203 SFFFDRNSULDTOG-AWEZNQCLSA-N 279.286 3.579 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)C1CCC1 839220124 FCEDFJFNVRPKSF-VIFPVBQESA-N 293.750 3.562 30 20 CHED N#Cc1csc(/C=C\c2nc3c(s2)CCCC3)n1 901544858 VFJOPFGLOWZLRM-WAYWQWQTSA-N 273.386 3.520 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)CCCCCC#N 588157957 USPBMOYRJLOHJP-CABCVRRESA-N 264.413 3.793 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc3ccncc3s2)C1 839059530 UEAVFRACSZLROR-JQWIXIFHSA-N 286.356 3.535 30 20 CHED C[C@@H](/N=C\c1cccc(O)c1O)c1nc2ccccc2s1 734095836 HMSHTZHZPMUSFR-LGQZLYSRSA-N 298.367 3.888 30 20 CHED C=C(CNC(=O)[C@@H](C)c1ccccc1F)c1ccccc1 672481953 IWHZBZNJJWXHQX-AWEZNQCLSA-N 283.346 3.759 30 20 CHED CCCCCCCN1CCC(c2ccncn2)CC1 839620450 OTBZZQIWBFEEPY-UHFFFAOYSA-N 261.413 3.626 30 20 CHED Fc1ccc(NN=C2CCc3cc(F)ccc32)c(F)c1 734295489 GNPPIFUWOHTEMS-UHFFFAOYSA-N 276.261 3.866 30 20 CHED C#CC(C)(C)NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 733873062 FAGFZNVXCAIVQA-UHFFFAOYSA-N 297.398 3.935 30 20 CHED Cc1[nH]c2ccccc2c1CCNC(=O)CCCCCC#N 588156005 NJBQQQIYDYOOJC-UHFFFAOYSA-N 297.402 3.609 30 20 CHED C#CCCCCC(=O)N1CCCc2c1cc(F)c(F)c2F 839427884 NCUFWCNVWYCDHQ-UHFFFAOYSA-N 295.304 3.577 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc(C(F)(F)F)s1 839041005 SMWWUSLKWWQKKM-QMMMGPOBSA-N 276.279 3.726 30 20 CHED COc1cccc2cc(/C=C\C(=O)c3cncs3)oc12 735792247 ASWRPDRVSHFDSY-WAYWQWQTSA-N 285.324 3.794 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc2c(c1)OCO2 916250638 QCMUTDTYLGNRPZ-UHFFFAOYSA-N 268.316 3.560 30 20 CHED C=CC(C)(C)C(=O)Oc1ccc(Br)cc1 835047800 JZRIBPAMGGJBQR-UHFFFAOYSA-N 269.138 3.567 30 20 CHED CC(=NNCc1cccc2cccnc12)c1ccc(C)o1 915963292 RKMJOKPVQHNFMV-UHFFFAOYSA-N 279.343 3.650 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(Br)c(C)cc1C 593618895 UONFIMBMHITMIM-JTQLQIEISA-N 295.180 3.554 30 20 CHED C[C@@]1(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)CC=CCC1 835348911 QFQTWPJDBCGMRS-SCLBCKFNSA-N 291.354 3.552 30 20 CHED Fc1cc(NN=Cc2ccc(Cl)nc2)ccc1Cl 748788332 DLMCFPAQPLJTOH-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CCC(=NNc1nccnc1C(C)C)c1ccsc1 834977002 IIOZFKGUCMTNKR-UHFFFAOYSA-N 274.393 3.888 30 20 CHED Cc1noc(C)c1C=NOCc1ccc(C(F)(F)F)cc1 746576346 ITGOZCFYKFGHTF-UHFFFAOYSA-N 298.264 3.861 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(N2CCCCCC2)cc1C 593697846 GLFOPOVVICQQRA-HNNXBMFYSA-N 299.418 3.864 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)c1csc2ccccc12 845447551 DOAAHTYJBBWJHG-QWRGUYRKSA-N 272.373 3.628 30 20 CHED N#CC1(CCON=Cc2cccs2)CCCCC1 842016359 UMXRJKHQDAJRKP-UHFFFAOYSA-N 262.378 3.963 30 20 CHED CCCCC[C@H](C)CC(=O)Nc1ccc(C#N)c(C#N)c1 744368177 DEMCIVKNMYUUNA-ZDUSSCGKSA-N 283.375 3.975 30 20 CHED Cc1ccc(CS(=O)(=O)CCCC(C)(C)C#N)c(C)c1 592452497 LFDZYUIGEDGDBG-UHFFFAOYSA-N 293.432 3.548 30 20 CHED CN(CC1=CCSC1)c1ccc(C#N)cc1C(F)(F)F 596553817 MYINBVSAUVHICC-UHFFFAOYSA-N 298.333 3.686 30 20 CHED CCCCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 131756571 NCOAOKPECVGWKV-NSHDSACASA-N 261.325 3.847 30 20 CHED CCC#C[C@H](C)Sc1nnc(C)n1Cc1ccccc1 671152380 PPXFEEPOENCYSO-ZDUSSCGKSA-N 285.416 3.529 30 20 CHED Cc1cc2nc(-c3ccc(OCC#N)cc3)[nH]c2cc1C 916854211 FLUGOEBVCCUCLK-UHFFFAOYSA-N 277.327 3.749 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1[C@@H](C)CCC[C@H]1C 593957640 OXNWUTAYUJEPRQ-SOUVJXGZSA-N 284.403 3.526 30 20 CHED C=CCCSCCNC(=O)[C@@H]1CCCc2ccccc21 597970163 DOLMUUXLZUURPQ-MRXNPFEDSA-N 289.444 3.532 30 20 CHED C[C@]1(C=NNc2cncc(Cl)n2)C[C@@H]1c1ccccc1 841618592 FVPCCFOGUKQIHY-IUODEOHRSA-N 286.766 3.722 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1CCc1ccccc1 917580193 WRPNIJQLMQHVQY-INIZCTEOSA-N 288.460 3.534 30 20 CHED C[C@@H](CSc1ccccc1)N(C)c1ncccc1C#N 593480953 HNABGCJPICJENT-ZDUSSCGKSA-N 283.400 3.570 30 20 CHED CCOc1ccc(/C=N/CCOc2ccccc2C)c(O)c1 917558182 MQBFJUZABVUPKD-CPNJWEJPSA-N 299.370 3.597 30 20 CHED C=CCC[C@H](NCc1ccc(N(C)C)cc1)C1CC1 747859281 MGTDCJGZOHUOLI-KRWDZBQOSA-N 258.409 3.587 30 20 CHED C=CC[C@H](N[C@@H](COC)CC(C)(C)C)c1ccncc1 845942799 XEEATAUAANAXOO-CVEARBPZSA-N 276.424 3.740 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593983772 ICGFZIGZQRZLRZ-BZUAXINKSA-N 298.430 3.774 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](CC#N)C1 595590242 JEWXMYYMGXIRNC-GDBMZVCRSA-N 291.439 3.681 30 20 CHED CC1(C)CCCC(=NNc2ccc(CC(=O)O)cc2)C1 848415791 QFUXMDJVNRRBEZ-UHFFFAOYSA-N 274.364 3.682 30 20 CHED CC(C)N(CCC#N)Cc1cc2cc(Cl)cnc2o1 590639003 QSPJODXQQFAJNR-UHFFFAOYSA-N 277.755 3.605 30 20 CHED C[C@H]1C[C@H](NCc2cccc(-c3ccc(C#N)s3)c2)CO1 842682680 JHMUBTLXDSGARS-WFASDCNBSA-N 298.411 3.554 30 20 CHED C[C@]1(F)CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 591926673 HXBAAQPFAFFPKX-HNNXBMFYSA-N 289.741 3.698 30 20 CHED FC(F)CNN=Cc1ccc(-c2ccccc2)cc1 740617161 CYRUEEHVUAAKAZ-UHFFFAOYSA-N 260.287 3.542 30 20 CHED Cc1ncsc1/C=C1/Oc2ccc(Cl)cc2C1=O 742434688 MWMDHNHJGWDHLH-VZUCSPMQSA-N 277.732 3.721 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)Cc1ccc(C)cc1C 595825114 AKXMKOZAPXEGFZ-INIZCTEOSA-N 288.435 3.842 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)CCc2c(O)cccc21 742433990 BVBRHBBOSCFAFX-BENRWUELSA-N 268.287 3.744 30 20 CHED CS[C@@H]1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 597261665 JZEPNFYMZOBXPD-ZIAGYGMSSA-N 294.464 3.641 30 20 CHED C[C@H](c1ccccc1Cl)N(C)C[C@@H](O)CC(C)(C)C#N 598586085 OFLDXKRPGMYCRL-OLZOCXBDSA-N 294.826 3.634 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](C)[C@H]1C 685550193 BLCGLYWOHMHDDV-UKRRQHHQSA-N 296.418 3.674 30 20 CHED C=CC[C@H](NC(=O)N1C[C@@H](C)C[C@@H]1CC)c1ccncc1 745829390 ZCUSDBFVURWINU-BPUTZDHNSA-N 287.407 3.529 30 20 CHED C=C1CCN(C(=O)Nc2cccc(Cl)c2OC)CC1 929932266 CFMQVQWLBJDQEA-UHFFFAOYSA-N 280.755 3.533 30 20 CHED CC[C@@H](C#N)OC(=O)CSc1ccc(C(C)(C)C)cc1 753422426 NNUQUYLFNGHWMO-ZDUSSCGKSA-N 291.416 3.922 30 20 CHED Cc1ccc(-c2nc(C=NOCC(C)C)co2)cc1 755802305 UIKGSUGLWNCLNG-UHFFFAOYSA-N 258.321 3.657 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc2c(c1)OC(C)(C)O2 926044965 GKEIGHMHORMSFE-LLVKDONJSA-N 274.364 3.934 30 20 CHED C(=NOCC1CCC1)C1CCN(Cc2ccccc2)CC1 853441451 XOPBFPMUKTZVRJ-UHFFFAOYSA-N 286.419 3.701 30 20 CHED CC(=NNc1ccc(Br)cc1)c1ccoc1 755893440 TWFHPYYJGSKBMZ-UHFFFAOYSA-N 279.137 3.878 30 20 CHED C=CCC1(CN[C@@H](C)c2ccnc(O)c2)CCCC1 926538611 AIMTXMMRZLRTTP-ZDUSSCGKSA-N 260.381 3.574 30 20 CHED FC(F)(F)[C@H]1CCC[C@H](C=NOC2CCOCC2)C1 853334835 SCGKGCRXHODLBC-QWRGUYRKSA-N 279.302 3.537 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc(SC)cc1 929157459 VFBSZKRFSMFUDJ-UHFFFAOYSA-N 275.417 3.542 30 20 CHED CCOc1cncc(/C=C/C(=O)c2cc(C)c(C)o2)c1 857201377 AHYMTUNACNLIMW-AATRIKPKSA-N 271.316 3.586 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc2c1ccn2C 851210120 RMJPSWNNVQBEET-LBPRGKRZSA-N 284.359 3.663 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(N2CCCCC2)nc1 926099741 KWVFOWZHBXSCBF-AWEZNQCLSA-N 286.423 3.812 30 20 CHED C#C[C@H](CC)NC(=O)c1cccc(Oc2ccccc2)c1 754393675 DIRDUSHFGJFFTO-OAHLLOKOSA-N 279.339 3.621 30 20 CHED C=CCN(C(=O)NCC[C@@H](C)c1ccccc1)C(C)C 750337134 SMEKWDHVLIMMFO-OAHLLOKOSA-N 274.408 3.786 30 20 CHED CC(C)c1ncc(C=NNCc2cc(F)ccc2F)s1 758372337 MHLBSCPRTZUFCY-UHFFFAOYSA-N 295.358 3.668 30 20 CHED CC(C)c1ncc(/C=C\C(=O)c2ccccc2O)s1 758434710 TVYHPBLXIGKBKK-FPLPWBNLSA-N 273.357 3.868 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C=NNC1CCCC1 752735307 VEMJXYATCBYBRD-UHFFFAOYSA-N 275.783 3.996 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1ccc(O)cc1O 757468901 ZJGBXBUGMSELNV-YWEYNIOJSA-N 291.306 3.542 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc(F)c(Cl)c2)n1 755741734 BNCZIGLGCBOWFU-UHFFFAOYSA-N 299.136 3.677 30 20 CHED Cc1ccc(F)cc1NN=Cc1ccc(N2CCCC2)nc1 853393619 NHRFZCJVOUJRQT-UHFFFAOYSA-N 298.365 3.575 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)c(O)c1 757473606 ZQIHUKOJBFLMPM-DAXSKMNVSA-N 298.338 3.619 30 20 CHED N#Cc1ccc(C(=O)Oc2cc(Cl)ccc2F)s1 750709333 URFPFDQXCSYZCK-UHFFFAOYSA-N 281.695 3.631 30 20 CHED C#C[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 754368857 RUCRACMOLSUDTR-UTUOFQBUSA-N 296.197 3.625 30 20 CHED CCCCCCCNC(=O)CCC(=O)c1ccccc1 862359650 PIEUULIJLYGBRD-UHFFFAOYSA-N 275.392 3.736 30 20 CHED OCc1ccc(C=NNc2c(Cl)cccc2Cl)o1 763188229 LCTNZHNLSSWPFH-UHFFFAOYSA-N 285.130 3.525 30 20 CHED C=C[C@H](Cc1nc([C@]2(C)CCCO2)no1)c1ccccc1 763341671 YALOLMKAQDIYNG-DYVFJYSZSA-N 284.359 3.608 30 20 CHED CCCCCCCNC(=O)c1oc(C(C)C)nc1C 862356382 WVRSHKZLBXFUEX-UHFFFAOYSA-N 266.385 3.807 30 20 CHED CCCCCCCCCN1CCC2(CC1)C[C@H](O)CCO2 933057167 MAMICRIBNRSVJL-QGZVFWFLSA-N 297.483 3.743 30 20 CHED COc1cccc(NN=C(C)c2ccccc2N(C)C)c1 769570863 XJHSVBWZIYIFPX-UHFFFAOYSA-N 283.375 3.597 30 20 CHED CCCCCCCCCC(=O)N1CCOC[C@H]1C1CC1 760993497 JDIWXFLRAHJRDJ-INIZCTEOSA-N 281.440 3.765 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 930668795 IXIISOORXHEPEO-UXLLHSPISA-N 287.403 3.577 30 20 CHED CCC(CCc1ccccc1)=NNc1cncc(Cl)n1 863078877 AHZXQZHNINXFNM-UHFFFAOYSA-N 288.782 3.941 30 20 CHED CCCOc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1C 863527646 HQLZBEOPOLUGHT-UHFFFAOYSA-N 286.375 3.662 30 20 CHED CCCC1(C(=O)OCc2ccc(C#N)cc2OC)CCC1 766905306 GKMKPLWIOHYHMJ-UHFFFAOYSA-N 287.359 3.580 30 20 CHED CS/C=C/C(=O)N(Cc1ccco1)c1ccccc1C#N 764228549 IABAUKKUTPDPKR-CSKARUKUSA-N 298.367 3.561 30 20 CHED C=CC[C@@H]1N(CCCCCCO)CCCC1(C)C 769954856 XTRJWDWGWUROKW-HNNXBMFYSA-N 253.430 3.606 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@@]2(C)CCCS2)cc1 766586723 VGDUCQQGQLZWGP-WMLDXEAASA-N 289.444 3.635 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1ccc(O)cc1O 769826926 KMRCCWLTQIRJJJ-UHFFFAOYSA-N 294.713 3.726 30 20 CHED C#CCN(C(=O)CCOc1cc(C)ccc1C(C)C)C1CC1 763800691 XAALPCBZLUNPQN-UHFFFAOYSA-N 299.414 3.512 30 20 CHED COc1cccc2c1CCC2=NNc1cc(F)cc(F)c1 1116263244 BQWXTJRVECFFCG-UHFFFAOYSA-N 288.297 3.736 30 20 CHED C=CC[C@H](C(=O)OC1CCSCC1)c1ccccc1 873556457 JCDYVBQNBQIJMA-HNNXBMFYSA-N 276.401 3.785 30 20 CHED C#CCCOc1ccc(CN(C)[C@@H](C)CCC)cc1 768337915 JGSWIPQXDVRYBZ-HNNXBMFYSA-N 259.393 3.709 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C\c2ccc[nH]2)CCCC1(C)C 769645378 TWLKRNWPKHUNRH-KVPUOBJLSA-N 272.392 3.621 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1sc(CC)cc1C#N 779859910 NASSRSKGJXUUQG-MDZDMXLPSA-N 262.378 3.867 30 20 CHED CCOC1CC(=NNc2ccc(C)c(Cl)c2)C1 1117702182 OSOQFABCXKPJTR-UHFFFAOYSA-N 252.745 3.615 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CCC=C)c2ccccc2)nc1 772170784 YXYYHLCQCIGYIG-QGZVFWFLSA-N 290.366 3.500 30 20 CHED C#CCCCCC(=O)O[C@@H](C)C(=O)c1ccc(CC)cc1 773633802 YWNZYCFVYFYDCY-AWEZNQCLSA-N 286.371 3.557 30 20 CHED N#Cc1cc(Cl)ccc1CON=Cc1cccc(F)c1 774722743 AIZFIMJXKRFVOP-UHFFFAOYSA-N 288.709 3.901 30 20 CHED Cc1ccc(SCCC(=O)OCCC(C)(C)C#N)cc1 776357018 JHAXXBCZFYMHRE-UHFFFAOYSA-N 291.416 3.960 30 20 CHED C[C@@H]1CCN(C(=O)/C=C\c2ccccc2C#N)CC12CCC2 771339015 LVKZDNPUGGYFHM-ZPIQOJFGSA-N 294.398 3.610 30 20 CHED C=C(CC)COC(=O)Cc1nc(-c2ccccc2)oc1C 773451183 GNPUSYFWCNSPHR-UHFFFAOYSA-N 285.343 3.702 30 20 CHED CC1(C)CCC[C@@H]1C(=O)OCc1cc(F)ccc1C#N 772618701 VRBLYQGYXRDHJD-CQSZACIVSA-N 275.323 3.567 30 20 CHED Cc1cc2occ(C(=O)O[C@@H](C)CC#N)c2cc1C 770874770 XGRUTNFOXBBNHT-NSHDSACASA-N 257.289 3.509 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C1 888359734 MXLHCOHYKZFDRB-ZDUSSCGKSA-N 289.354 3.597 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1ccc(Cl)cc1 780186141 FGFINTARQWKPLM-UHFFFAOYSA-N 272.735 3.808 30 20 CHED C=C(C)CN(C)c1ccc([S@](=N)(=O)C(F)(F)F)cc1 882166039 JEGGGOAVXQTQRY-IBGZPJMESA-N 292.326 3.624 30 20 CHED C=CCC[C@H](NC(=O)Nc1conc1C)c1ccccc1 888739698 QWYFURFQBGKFSF-AWEZNQCLSA-N 285.347 3.812 30 20 CHED CC1(C)CC[C@H](C(=O)OCc2ccc(F)cc2C#N)C1 781706576 UROPZCDAOCHNND-NSHDSACASA-N 275.323 3.567 30 20 CHED N#Cc1ccc(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 887706119 MJLOQAWYIFQREQ-GOSISDBHSA-N 294.398 3.621 30 20 CHED COc1cccc(/C=N\CC(F)(F)c2ccccc2)c1O 788675586 XLCOMAAYSOLICQ-GRSHGNNSSA-N 291.297 3.612 30 20 CHED Fc1cccc(C2CC(=NOCc3cccnc3)C2)c1 781596733 MOZUPMHINXUUHR-UHFFFAOYSA-N 270.307 3.671 30 20 CHED CCC[C@H](C)C(=O)OCc1ccc(C#N)cc1Cl 784208785 JEFKOKCVPHTSQQ-JTQLQIEISA-N 265.740 3.691 30 20 CHED C=C1CCC(C(=O)N2CCc3cc(Cl)ccc3C2)CC1 890170976 MGVGEGYUQSZAQF-UHFFFAOYSA-N 289.806 3.971 30 20 CHED C#CCCCCNC(=O)N1CCCC(CC)(CC)CC1 786790212 USVVGBJLYPSSSL-UHFFFAOYSA-N 278.440 3.792 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc(F)c(Cl)c1 785761674 LZNAMQAVZSLLKU-HNNXBMFYSA-N 298.741 3.807 30 20 CHED C=C(Br)CN[C@](C)(CC)c1nc(C)cs1 269610068 DXVJPYVTMZMOIO-LLVKDONJSA-N 289.242 3.575 30 20 CHED Cc1ccc(CC(=O)OCc2ccc(Cl)cc2C#N)cc1 780038143 BNRLSWRXOCBXSS-UHFFFAOYSA-N 299.757 3.806 30 20 CHED CC(C)CC(=NNCCc1ccncc1)c1ccccc1 789084803 DBXIKMUAIYKVBW-UHFFFAOYSA-N 281.403 3.664 30 20 CHED N#Cc1sccc1C(=O)NCCC1CCC(F)(F)CC1 890054136 VANNAVLUUBNMOC-UHFFFAOYSA-N 298.358 3.565 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccc(CF)cc1 1131137742 QNEQOSKZMVMKDJ-UHFFFAOYSA-N 288.709 3.933 30 20 CHED C=CC(C)(C)CC(=O)N(CC#N)c1ccc(Cl)cc1 892087952 FTGYJGJKAMYBRL-UHFFFAOYSA-N 276.767 3.799 30 20 CHED Clc1ccc(Cl)c(C=NNCCc2ccncc2)c1 789098102 OGPSUIMBJOPELP-UHFFFAOYSA-N 294.185 3.555 30 20 CHED CCC1(CNC(=O)c2cc(F)c(C#N)c(F)c2)CCCC1 1137538910 LZYHTSMTQNYXBP-UHFFFAOYSA-N 292.329 3.537 30 20 CHED C=C1CCC(C(=O)N2CC=C(c3cccc(OC)c3)C2)CC1 897342798 WPEDIOSDEFBQKI-UHFFFAOYSA-N 297.398 3.667 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccco1 93872107 VWUYCCPAJVRYDW-SJORKVTESA-N 266.344 3.551 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C#N)cc2Cl)CCO1 215409890 WMFLJJHFQNMQKF-NSHDSACASA-N 264.756 3.581 30 20 CHED C=CC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 746673342 QJMRZNFLWQQGBF-UHFFFAOYSA-N 280.755 3.646 30 20 CHED Cc1cccc(CN(C)Cc2ccccc2C#N)c1C 560885627 XBKUPVUFKQCUMH-UHFFFAOYSA-N 264.372 3.807 30 20 CHED Cc1coc(C)c1C(=O)O[C@@H](C)c1cccc(C#N)c1 792765990 RZTLSINPEWQGSL-NSHDSACASA-N 269.300 3.686 30 20 CHED CC[C@@H](C)CON=C1Cc2ccc(Cl)cc2C1 793159255 LYABXUPPKNZMPY-SNVBAGLBSA-N 251.757 3.857 30 20 CHED N#Cc1ccc(NN=C/C=C\c2ccc(F)c(F)c2)cc1 794897001 OIDRKIUMQKNFGX-QUOARBMVSA-N 283.281 3.948 30 20 CHED CC(C)(CC#N)CNC(=O)Cc1cc(Cl)cc(Cl)c1 600001748 QQHRQHFXDDHJQU-UHFFFAOYSA-N 299.201 3.592 30 20 CHED CC(=NNCCC(F)(F)F)c1cnc2ccsc2c1 794552589 MZOSWQILMAJHTR-UHFFFAOYSA-N 287.310 3.562 30 20 CHED Cn1c(Cl)cnc1C=NNc1ccc(C(C)(C)C)cc1 799486174 ZNNCKJVXNHGOHF-UHFFFAOYSA-N 290.798 3.817 30 20 CHED CCCCCCCN1CCN(CCc2cccs2)CC1 740875357 VOJVRSHKOJWBIS-UHFFFAOYSA-N 294.508 3.879 30 20 CHED CCO[C@@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)C12CCC2 87709353 HMPMKXDZUZDOPR-HUUCEWRRSA-N 290.794 3.971 30 20 CHED COc1cc(Cl)ccc1NCc1ccc(C#N)c(F)c1 790520002 BNMXFYDENCCVQU-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 1312465727 WYWCDBWFNJLKBA-XHDPSFHLSA-N 292.810 3.752 30 20 CHED CN(Cc1ccccc1)CC(C)(C)C=NOC(C)(C)C 1319583365 JWHJHFKBMVLIDU-UHFFFAOYSA-N 276.424 3.946 30 20 CHED COc1ccc2cc(C(=O)N[C@H](C#N)CC(C)C)ccc2c1 1318217858 YPTYRGLIRMBJCX-INIZCTEOSA-N 296.370 3.516 30 20 CHED CCC(CC)(CC)NC(=O)CC#Cc1ccccc1 1319668572 WOEUNQFGONEFGF-UHFFFAOYSA-N 257.377 3.513 30 20 CHED CC(C)CCN(CCC#N)Cc1cccn1C1CC1 1326429039 AIEGDGZSEHUYAM-UHFFFAOYSA-N 259.397 3.585 30 20 CHED CSc1ccccc1C(C)=NO[C@@H]1CCCCO1 1256576118 XMNTZKFXQPRETE-CQSZACIVSA-N 265.378 3.676 30 20 CHED CC(C)(C)Cc1nnc(-c2ccc(C#N)c(Cl)c2)o1 1329094617 LYAAGTDCUGTPSG-UHFFFAOYSA-N 275.739 3.850 30 20 CHED C=C[C@@H](COC)NC(=O)Nc1ccc(C(C)(C)CC)cc1 1321025291 RGJSXYRLICYQPO-AWEZNQCLSA-N 290.407 3.697 30 20 CHED N#Cc1cc(Cl)cc(OCC(=O)c2ccsc2)c1 1189457325 JAHJFEFYPSKNRP-UHFFFAOYSA-N 277.732 3.535 30 20 CHED CC[C@@H](NCc1cccc(OCC#N)c1)c1ccccc1O 1255175850 PRKOXCRLRVRLEK-QGZVFWFLSA-N 296.370 3.535 30 20 CHED CC(C)(C)c1cccc(C(=O)Nc2cc(C#N)ccn2)c1 1188969660 HHQOYEWAMOSXFY-UHFFFAOYSA-N 279.343 3.503 30 20 CHED C=C(Cl)CN1CCN(Cc2ccccc2)[C@H](C(C)C)C1 1560001210 ZFOVQCLZPIMCGE-KRWDZBQOSA-N 292.854 3.581 30 20 CHED C#CCCCc1nnc(-c2ccc(C(C)(C)C)cc2)o1 1333090208 FMSRFAHNICSAKS-UHFFFAOYSA-N 268.360 3.990 30 20 CHED COc1ccc(Nc2ncc(C#N)cc2F)cc1SC 1186672609 BAEPNGDTWFCLLL-UHFFFAOYSA-N 289.335 3.566 30 20 CHED N#Cc1ccc(CCN2CC[C@@H](Cc3ccccc3)C2)cc1 1191191366 ACXXGMHEPGTGPM-FQEVSTJZSA-N 290.410 3.665 30 20 CHED Cc1cnc2ccccc2c1N1CCC[C@@H](CC#N)C1 1333721888 QBTLUHLBGVNJGB-AWEZNQCLSA-N 265.360 3.673 30 20 CHED C=CCN(CCC#N)C(=O)c1c(CC)oc2ccccc12 1261257489 UVVVOYBBBGRTQX-UHFFFAOYSA-N 282.343 3.537 30 20 CHED CC(C)(C)C#Cc1nnc(-c2cc3ccccc3o2)o1 1346673857 DHCNOBIPWULZPS-UHFFFAOYSA-N 266.300 3.880 30 20 CHED N#Cc1sccc1C(=O)Nc1nc2ccsc2s1 1265353293 SIJVJFQBNBAGAU-UHFFFAOYSA-N 291.382 3.543 30 20 CHED Cc1coc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1C 1340989110 AWSFUBVSWTWCNP-UHFFFAOYSA-N 294.354 3.573 30 20 CHED C[C@H](OC(=O)[C@H](CC#N)c1ccccc1)c1cncc(F)c1 1275510101 NTQFTMZVBALBPV-BLLLJJGKSA-N 298.317 3.522 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 1350123904 DUGCVRQBKKXKEE-CYBMUJFWSA-N 289.354 3.597 30 20 CHED CC(=O)c1cc(NC(=O)c2cccc(C#N)c2C)ccc1C 1437146213 DUVVBKZJBREYGC-UHFFFAOYSA-N 292.338 3.630 30 20 CHED CS[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 218940067 OKUFEIQWKRPXMC-TZMCWYRMSA-N 291.376 3.553 30 20 CHED Cc1cc(C)cc(CC(=O)Nc2cc(C#N)ccc2C)c1 1515552014 NSVPCGQNNCNFGA-UHFFFAOYSA-N 278.355 3.665 30 20 CHED Cc1ccc(COc2ccc(C#N)c(F)c2)cc1F 1458948631 JWJVKPRAALNPKO-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CS[C@@H]1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 224660399 SWBKHARZPMUKLB-VBNZEHGJSA-N 274.433 3.883 30 20 CHED Cc1ccc2c(c1)OCCN2Cc1ccc(Cl)cc1C#N 1459598054 QAFCPOCVEICNGD-UHFFFAOYSA-N 298.773 3.919 30 20 CHED N#Cc1ccc(CN(Cc2ccccc2)CC(F)F)cc1 112978047 PDYBRHHEEHGXEU-UHFFFAOYSA-N 286.325 3.826 30 20 CHED CC(C)c1ccc(NC(=O)c2csc(C#N)c2)cc1 1524688054 ZPUZATAZORFIMH-UHFFFAOYSA-N 270.357 3.995 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3c(s2)CCCC3)C1 1528488764 BYDGJBFLNNCFTN-DGCLKSJQSA-N 289.400 3.866 30 20 CHED C[C@H](CCCC#C[Si](C)(C)C)OC(=O)CCCC#N 1526335101 FLTKCOHDNGIOID-CQSZACIVSA-N 279.456 3.663 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1nsc2ccccc12 1526169465 SYWOFFYTNLXBMG-SNVBAGLBSA-N 288.372 3.781 30 20 CHED Cc1c(F)cc(C(=O)O)cc1O[C@H](C)c1cccc(C#N)c1 1607533303 WGJHHPSWIMSBSM-LLVKDONJSA-N 299.301 3.844 30 20 CHED Cc1ccccc1CCN(C)Cc1ccc(C#N)cc1F 1462277980 NRGPUPYZQPNQRT-UHFFFAOYSA-N 282.362 3.680 30 20 CHED CC(C)N(CCOc1cccc(C#N)c1)c1cccc(F)c1 1460470897 WRJXDIQPRLRDRI-UHFFFAOYSA-N 298.361 3.991 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 1531092170 UJHDULYIZICDQB-GXTWGEPZSA-N 290.794 3.766 30 20 CHED CCN(Cc1ccc(C#N)s1)c1cccc(F)c1 1473268290 JUSGNWOAOTYVFG-UHFFFAOYSA-N 260.337 3.785 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC(OCC2CCCC2)CC1 1473214021 YNCXNJIOBPRPQM-IBGZPJMESA-N 298.430 3.922 30 20 CHED CCSc1cccc(NC(=O)Nc2ccc(C#N)cn2)c1 1626646047 PDXUVIMHFUKLPA-UHFFFAOYSA-N 298.371 3.709 30 20 CHED CCCC[C@H](C)N(C)c1nc(C#N)c(Cl)s1 1559205204 JMKUYSFGNSLADI-QMMMGPOBSA-N 257.790 3.683 30 20 CHED C=C(CNC(=O)N[C@H]1C[C@@H]1C1CCCCC1)c1ccccc1 1632420415 KJTKREZIXQOUKQ-MSOLQXFVSA-N 298.430 3.968 30 20 CHED COc1cc(C#N)ccc1Oc1nc2cccc(F)c2o1 1649169415 MSSPDBPXHQGSTG-UHFFFAOYSA-N 284.246 3.639 30 20 CHED C[C@@H]1C[C@H](N[C@H](C)CC#N)C[C@H](c2ccccc2)C1 1657903456 OFJJIBMSXJCQTM-ABFRBSLYSA-N 256.393 3.851 30 20 CHED COc1cc(CN2CCCCC[C@@H]2C(C)C)ccc1C#N 1659211589 ZNFLJVQCIOWFOQ-QGZVFWFLSA-N 286.419 3.967 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1589645075 MPBWGVANMYVUDZ-QLFBSQMISA-N 297.439 3.600 30 20 CHED C=CCCC[C@H](C)N[C@@H](CC)c1ccc(-c2nn[nH]n2)cc1 1588594049 KFAFZHQFRGVDSR-BBRMVZONSA-N 299.422 3.652 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2[C@@H](C)CCC[C@H]2C)c1 1662642448 JBHRMNNGZBGNTO-VIKVFOODSA-N 285.391 3.813 30 20 CHED Cc1cc(C#N)cc(NC(=O)Nc2cscc2C)c1 1672285508 SVZBXFIUSDYHTG-UHFFFAOYSA-N 271.345 3.881 30 20 CHED CC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC1(C)C 1677508070 BNONLSNXAFTLLJ-RCBQFDQVSA-N 299.418 3.743 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)s2)cs1 1777418539 UEGOROLTMCVRQP-DUXPYHPUSA-N 278.354 3.712 30 20 CHED 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CCC[C@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 153356533 CYJPKWKVIGPWIX-HOCLYGCPSA-N 272.392 3.974 30 20 CHED CCc1ccccc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 155688636 UFYIOHAEZZYXAI-ZDUSSCGKSA-N 278.355 3.612 30 20 CHED C=CCN(Cc1cccs1)Cc1nc2ccccc2n1C 154733195 DOCMHJOIIXPMGK-UHFFFAOYSA-N 297.427 3.823 30 20 CHED C=CCC[C@H](NCCOCC1CC1)c1ccccc1 159986212 JDHJLACCSBYNBW-KRWDZBQOSA-N 259.393 3.710 30 20 CHED CC(C)(C#N)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 169153324 SAWTXLRQTTXNGL-UHFFFAOYSA-N 290.672 3.847 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 35018889 NBBBELIATFMQCD-LLVKDONJSA-N 272.298 3.687 30 20 CHED CC1=CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 159972727 YVBJXQDJQZOMED-UHFFFAOYSA-N 266.266 3.733 30 20 CHED C[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 164376667 JCGWDYIWVJUITA-JTQLQIEISA-N 268.282 3.813 30 20 CHED C=CCCCCNC(=O)CCc1c[nH]c2ccccc12 274656374 UQFHZXLFXOCYSN-UHFFFAOYSA-N 270.376 3.573 30 20 CHED CC[C@](C)(C#N)C(=O)N(Cc1ccccc1)CC1CCC1 288413915 RKBBALKDQZSIHT-GOSISDBHSA-N 284.403 3.755 30 20 CHED CC(=O)c1ccc(C#N)cc1N1CC[C@H](C)C[C@H](C)C1 302160141 XYIFRQVLKCHOCY-STQMWFEESA-N 270.376 3.633 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N[C@H](C#N)C1CCCCC1 402568149 PBFWRXJHCJSXEZ-CMPLNLGQSA-N 290.329 3.554 30 20 CHED C=CCCCCCCNCc1ccc(C#N)cc1F 311865266 RSPSCWQVJYUMOU-UHFFFAOYSA-N 260.356 3.923 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 556810334 CVVHMTPYCBCBQP-OWCLPIDISA-N 276.424 3.744 30 20 CHED N#CCc1cccc(NCc2nc(C3CC3)cs2)c1 453149229 QBWFYSRQDZVGSN-UHFFFAOYSA-N 269.373 3.699 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@H](C)CCC=C(C)C 579125553 NVNWTIFEVCIZEO-ZIAGYGMSSA-N 250.386 3.567 30 20 CHED Cc1ccc(Br)cc1N[C@@H]1CC[C@H](C#N)C1 381429173 AYESPISTDDMOOY-CMPLNLGQSA-N 279.181 3.862 30 20 CHED CC(C)c1ccc(CN2CCC[C@H](CC#N)C2)cc1 397741805 NDXOOHVRZDVLBK-OAHLLOKOSA-N 256.393 3.936 30 20 CHED C[C@@H]1CSC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 397822563 KKXPXGNMIDOITR-PELKAZGASA-N 286.322 3.740 30 20 CHED C[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@H](C)C1 340924315 WTFKMXSZWLODAE-QWHCGFSZSA-N 260.356 3.565 30 20 CHED C=CCSc1nc2sc(C)c(C)c2c(=O)n1CC=C 4854996 JOHHCVLBGSVMNK-UHFFFAOYSA-N 292.429 3.539 30 20 CHED CC(C)N(Cc1ccc(CC#N)cc1)Cc1ccco1 342659104 HBZRZSZZDSEIAV-UHFFFAOYSA-N 268.360 3.756 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2c(F)cccc2F)cn1 58465428 JOASJCSIKOEVQC-VOTSOKGWSA-N 276.286 3.638 30 20 CHED Cc1ccccc1CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 106420131 CQHDTZPNDJDTSJ-INIZCTEOSA-N 298.773 3.572 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(F)cc1C#N 177910592 UEZVZWQRGRNWFM-UHFFFAOYSA-N 289.354 3.907 30 20 CHED N#Cc1ccncc1N1CCCC2(CCCCC2)CC1 344866275 NVSLVLABBVOYKW-UHFFFAOYSA-N 269.392 3.894 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)C3(C#N)CCC3)ccc21 119400941 BJQIEAJURPKCLO-UHFFFAOYSA-N 295.386 3.930 30 20 CHED COc1ccccc1[C@H]1CCCN1c1ccc(C#N)cc1 301168246 SKBHKXUTXCTSSA-QGZVFWFLSA-N 278.355 3.908 30 20 CHED N#Cc1ccccc1COc1ccc(OCC2CC2)cc1 63740563 SINUMQGZJOPSLT-UHFFFAOYSA-N 279.339 3.926 30 20 CHED C=C(C)CCC(=O)Nc1cnccc1OC(C)(C)C 1358073936 HIVHYELDFCZTLE-UHFFFAOYSA-N 262.353 3.554 30 20 CHED 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C[C@@]1(CO)CCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 301334130 CGCORQBJOPDRFL-KBPBESRZSA-N 298.308 3.540 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 185823448 BLUKPXLXLSFGKY-HNNXBMFYSA-N 298.430 3.514 30 20 CHED CCOc1ccc(NCc2cc(C#N)ccc2OC)cc1 129251378 XEOOLPBWRGAZSJ-UHFFFAOYSA-N 282.343 3.578 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2CCCOc3cc(F)ccc32)C1 185879607 UFENXRGTXUQQKT-NOLJZWGESA-N 288.366 3.711 30 20 CHED Cc1cccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1Cl 122589652 SHDKGDKNCMZPLQ-ZBEGNZNMSA-N 290.794 3.851 30 20 CHED C=CCC[C@H](CC)NCc1cc(COC(C)(C)C)on1 186829885 UUGIFCNGWRVYLX-ZDUSSCGKSA-N 280.412 3.824 30 20 CHED CCN(C[C@H](C)C#N)C(=O)Cc1coc2cc(C)c(C)cc12 72011135 BNLIEPPPJWVYIW-GFCCVEGCSA-N 298.386 3.600 30 20 CHED CCCC1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CCC1 505790274 MALUJTGWRJBEIQ-CQSZACIVSA-N 290.794 3.991 30 20 CHED C=CCCSc1nc2ccccc2c(=O)n1C(C)C 128626163 DXTYGNVPVKEDBL-UHFFFAOYSA-N 274.389 3.646 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@H]2C=CCCC2)s1 187024861 OVTMTOZTIGJSOI-NSHDSACASA-N 274.389 3.867 30 20 CHED C=C(C)CN(CC)Cc1c(C)nn(Cc2ccccc2)c1C 505913036 QOQXKFUFWUQZSZ-UHFFFAOYSA-N 297.446 3.946 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@H]2CCCC[C@@H]2O)c1 125352033 XYMSNBIJDSNHGG-RISCZKNCSA-N 298.308 3.540 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2=CCCCCC2)n1 122662622 QDPXTSUDZATVHA-LBPRGKRZSA-N 260.362 3.518 30 20 CHED C[C@H](c1cccc(O)c1)N(C)CCCC(C)(C)C#N 174855166 WLTUNSLVDLKBMM-CYBMUJFWSA-N 260.381 3.715 30 20 CHED CC[C@H](SC)C(=O)Nc1scc(C(C)(C)C)c1C#N 410927276 KCZFKHDSYXISBT-NSHDSACASA-N 296.461 3.997 30 20 CHED C#CCOc1ccccc1NC(=O)N(C)[C@H](C)c1ccco1 188033648 AUFCBXDROJZTCP-CYBMUJFWSA-N 298.342 3.517 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 128978717 VAQBAPUQEFUUBP-JMSVASOKSA-N 290.794 3.847 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cc(F)ccc2OC(F)F)C1 185750339 HXULBDQXQNWNMG-ONGXEEELSA-N 284.281 3.921 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Cc1ccc(C)cc1 180355000 UZKWBSSGBRBGQM-OAHLLOKOSA-N 259.393 3.598 30 20 CHED C=C(C)[C@H](N[C@H](C)COCC)c1ccc(F)c(F)c1 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CC[C@@H](NCC(C)(C)CC#N)c1cc(C)ccc1OC 414169718 RYLUPUUAEWTAII-OAHLLOKOSA-N 274.408 3.984 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C#N)c1ccccc1Cl 410639117 FVAIMTZOPYBMHJ-ZDUSSCGKSA-N 276.767 3.623 30 20 CHED N#Cc1ccc(NCCc2ccncc2)cc1C(F)(F)F 48262428 VAQNHOXNDQSMNS-UHFFFAOYSA-N 291.276 3.627 30 20 CHED N#Cc1cccc(NC(=O)Cc2ccc(F)cc2Cl)c1 134438644 OKZVELLRRNHQKX-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCc1ccc(C#N)cc1 45082707 XTTFHALCZXDTDX-PBHICJAKSA-N 284.403 3.528 30 20 CHED C[C@@H]1C[C@@]1(NCCCSCC#N)c1ccc(Cl)cc1 503428724 HVNQQJZOQZRLTM-DOMZBBRYSA-N 294.851 3.812 30 20 CHED C=CCN(C(=O)c1cc(Cl)ccc1F)C(C)C 42371645 BGMJQBZQARWVTK-UHFFFAOYSA-N 255.720 3.516 30 20 CHED CC1(C)CCCN(c2ccc(C#N)c(Br)c2)C1 228188299 ARJHGNUMCSCOIK-UHFFFAOYSA-N 293.208 3.947 30 20 CHED CCc1cccc(Oc2ccc(C#N)cc2[N+](=O)[O-])c1 47832756 FAQNKYJAQCCWER-UHFFFAOYSA-N 268.272 3.821 30 20 CHED C=C[C@H](CC(=O)Nc1cc(CO)ccc1C)c1ccccc1 132011334 BZRLOPSNFTXZGK-MRXNPFEDSA-N 295.382 3.786 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(Br)cc2)C1 612163409 UIANDXZHYUHDOV-AWEZNQCLSA-N 293.208 3.575 30 20 CHED CC1(C)SC[C@H]1/N=C(/O)Nc1nc2ccsc2s1 328733402 HTCSNPCHHSSFGH-SSDOTTSWSA-N 299.446 3.578 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2nc3ccccc3s2)CCC1=O 328910183 NGQVSKCLGUVBCP-VHSXEESVSA-N 288.372 3.890 30 20 CHED C=CCN(CCOc1ccccc1OC)Cc1ccccc1 515546951 BMEZICHLXWEFKF-UHFFFAOYSA-N 297.398 3.762 30 20 CHED CC(=O)c1ccc(OCC#Cc2ccc(F)cc2)cc1F 135299346 MHGFSXZUQSSSTB-UHFFFAOYSA-N 286.277 3.598 30 20 CHED N#CCCN(CC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 130613987 KREGZHHDYODHID-GVDBMIGSSA-N 288.435 3.745 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccccc2O)cc1 221635506 FOPLFWWZIAXVGV-XFXZXTDPSA-N 268.312 3.687 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(F)c(C(F)(F)F)c1 134710063 KDMDOSRKQKPKNU-MRVPVSSYSA-N 275.245 3.539 30 20 CHED N#CC1(C(=O)Oc2ccccc2Cl)CCCCC1 194311903 DKJCLURPHXPGNI-UHFFFAOYSA-N 263.724 3.719 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N2CC[C@H](C)C2)c1C1CC1 328949238 WLLVOCSBJFBSSJ-NWDGAFQWSA-N 290.411 3.619 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC(F)(F)F)c1 424317278 BRIUSKCMOHFDRX-GMXVVIOVSA-N 298.308 3.928 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H](CC)c1c(C)noc1C 330477657 WKXMTZUNGDKWQE-NSHDSACASA-N 291.351 3.606 30 20 CHED C=C(CNC(=O)N1[C@@H](C)CC[C@H]1CC)c1ccccc1 512660470 NLORPTGFIZEETM-GOEBONIOSA-N 272.392 3.672 30 20 CHED CCOc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1Cl 531556329 HCQSMTOHFNLYLB-UHFFFAOYSA-N 292.766 3.617 30 20 CHED N#CCCCCN(Cc1c(F)cccc1F)C1CC1 192301333 XGUZCVUNUAYWOU-UHFFFAOYSA-N 264.319 3.623 30 20 CHED CC(C)CC(CC(C)C)/N=C(/O)N1CCC(C#N)CC1 330596482 RSSMWXBAWQUDML-UHFFFAOYSA-N 279.428 3.597 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(C)s2)CCC1 191161208 GIDJGUXSAPVRQS-UHFFFAOYSA-N 263.406 3.761 30 20 CHED N#Cc1c(NCc2ccc(Cl)s2)ncc2c1CCC2 425207583 NCHOXLLSJHUDFC-UHFFFAOYSA-N 289.791 3.769 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCc2ccc(F)cc21 91231689 ZFHBICQTHCHRPW-MRXNPFEDSA-N 290.382 3.811 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc(F)cc1Cl 334222484 YOADVSMCYLWUAZ-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CC(C)SCC(=O)Nc1scc(C(C)(C)C)c1C#N 519103547 RSHAFPGJTNVBDD-UHFFFAOYSA-N 296.461 3.997 30 20 CHED N#CCCN(Cc1ccc(N2CCCCC2)cc1)CC1CC1 93091272 ZEPUOUGARKGFGX-UHFFFAOYSA-N 297.446 3.803 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 429833315 PVJIZVGKPFKSBD-UHFFFAOYSA-N 287.281 3.968 30 20 CHED C=CCN(CCC#N)Cc1ccccc1OCC(F)(F)F 428866694 KNHAYNLRVPYSKW-UHFFFAOYSA-N 298.308 3.529 30 20 CHED C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 334525625 KNNOHBDHRNVECF-ZYHUDNBSSA-N 276.767 3.781 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 336157368 AXXWYQCQGQWTMO-FZKQIMNGSA-N 277.371 3.681 30 20 CHED C=CCCC(=O)N(Cc1ccco1)c1ccccc1C#N 338602734 HYOQHEDKAHGEEX-UHFFFAOYSA-N 280.327 3.651 30 20 CHED C=C(CNC(=O)N1CCC(C)(C)CC1)c1ccccc1 512673416 QNGHYKUWRRBQMR-UHFFFAOYSA-N 272.392 3.531 30 20 CHED Cc1ncccc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 93872466 QWFHSSHZKQCOFT-RBUKOAKNSA-N 291.398 3.662 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)c1ccncc1F 338375943 XEQWSRIFDDYQSD-LBPRGKRZSA-N 263.360 3.591 30 20 CHED CC1(C)CCCN(CCCC2(C#N)CCOCC2)CC1 337184602 NWUJFJSIWTXUEE-UHFFFAOYSA-N 278.440 3.599 30 20 CHED CCC(C#N)(CC)c1nc(-c2cc(C)c(O)c(C)c2)no1 528166840 HRPMVLAJCRJMEH-UHFFFAOYSA-N 285.347 3.640 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(C)cc2OC)no1 528186413 KOBGSYRPGUVTGC-UHFFFAOYSA-N 285.347 3.635 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1cc(F)cc(F)c1 432584734 AOTZEMHWSXQFFN-UHFFFAOYSA-N 296.361 3.709 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1ncc(C)n1C 342790920 NHCINYMMVDYPKZ-UHFFFAOYSA-N 295.839 3.632 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2ccc(F)c(C#N)c2)C1 341553385 VNJTWPZDOQKIEM-ZDUSSCGKSA-N 288.366 3.596 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(C=C)cc1 341465112 UHRGJGYBBDJUBF-UHFFFAOYSA-N 281.355 3.794 30 20 CHED N#C[C@H]1CC[C@H](n2cc(-c3ccc(Cl)s3)nn2)C1 600812373 CEFKNWWVIRBTLG-IUCAKERBSA-N 278.768 3.525 30 20 CHED CN(C(=O)Cc1cc2ccccc2o1)c1cccc(C#N)c1 604434035 OATFROVKCVDGNT-UHFFFAOYSA-N 290.322 3.510 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(F)cc1 433128913 MQAJAGXKGQNIQT-CQSZACIVSA-N 282.318 3.537 30 20 CHED CC1=CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 435583116 DZEVXUFUWWEUAH-UHFFFAOYSA-N 266.266 3.733 30 20 CHED CC[C@@H](C)Cc1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 601398486 GVMAPWRFXTWBIW-BYCMXARLSA-N 281.359 3.801 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)CCCSCC#N 347551003 APCNWHFGEMLEQQ-HNNXBMFYSA-N 292.448 3.725 30 20 CHED C=CCCOCCCCC(=O)Nc1ncsc1C(C)C 346514410 CAXHVVGTBFHQLK-UHFFFAOYSA-N 296.436 3.968 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2ccc(F)cc2s1 604880292 QKYXWOUFVLGMGF-VIFPVBQESA-N 263.337 3.735 30 20 CHED C=CCCCC(=O)N(C)c1ccc(Cl)cc1F 439181389 DXUDORKXDUQGQA-UHFFFAOYSA-N 255.720 3.798 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(F)c(Cl)c1 602528951 ROFKHGVAMSPZHP-JTQLQIEISA-N 254.736 3.509 30 20 CHED CCC(C#N)(CC)C(=O)N1CC2(CCC2)c2ccccc21 529147170 PXNZHBRDCZUFLS-UHFFFAOYSA-N 282.387 3.785 30 20 CHED Cc1cc(CN[C@H]2CC[C@H](C#N)C2)ccc1Br 349856261 ZXRPLGLVBPIXIE-AAEUAGOBSA-N 293.208 3.539 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 342957939 FRQNMSNDKSCYCP-DOTOQJQBSA-N 277.371 3.777 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3ccc(C)cn23)cc1 255362844 RMTPXOIUTIQPCC-HJWRWDBZSA-N 276.339 3.847 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1CCOc1ccccc1C#N 525328543 BCEAKTGXXQCGEK-NVXWUHKLSA-N 286.419 3.838 30 20 CHED Cc1occc1CN(C)CC#Cc1cccc(Cl)c1 446765785 FNWNFARZQKXKNL-UHFFFAOYSA-N 273.763 3.725 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1ccccc1CC#N 600990550 BIHDUNJZHOZIFZ-UHFFFAOYSA-N 292.382 3.723 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(OCC(F)F)cc1 347453796 VVPJWYQFSUERDP-DAFODLJHSA-N 286.281 3.768 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC(C)C)cc1F 448833642 HSXVPPMFHWMQRD-UHFFFAOYSA-N 265.328 3.764 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](C)C1 444143195 LVFVDXKMVITZGB-GOEBONIOSA-N 272.392 3.573 30 20 CHED N#CC[C@@H](CC(=O)Nc1cccc(F)c1)c1ccccc1 353335292 KQYFMMSBHMDWNI-AWEZNQCLSA-N 282.318 3.852 30 20 CHED C=CCCC1(C(=O)Nc2cnn(-c3ccccc3)c2C)CC1 356514191 KMLUULKVLOIHGU-UHFFFAOYSA-N 295.386 3.866 30 20 CHED CC1(C)C[C@H]1c1noc(/C=C/c2ccc(C#N)cc2)n1 355874499 RLNUCYBIBKOFKB-GWJCSSMESA-N 265.316 3.625 30 20 CHED C=CCCCCCN(C)C(=O)COc1cccc(C)c1 606817330 YGOAJWJCZNTXMV-UHFFFAOYSA-N 275.392 3.579 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(OCC(=C)C)c1 448880042 BZSHALPWPQFKPW-UHFFFAOYSA-N 259.349 3.792 30 20 CHED C=CCC(CC=C)C(=O)NCc1cc2ccccc2o1 531824467 LIJXSHDZXUVWHJ-UHFFFAOYSA-N 269.344 3.817 30 20 CHED C[C@@H]1COCC[C@H]1CN[C@@H]1CCCCc2cc(C#N)ccc21 353979504 RDYMHGMMJADOHQ-DKSSEZFCSA-N 298.430 3.588 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cccc(OCC)c1 538288557 CUUXOBFRGJDXCI-AWEZNQCLSA-N 290.407 3.629 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](CCC)C(C)C)C1 617781757 UAPJWDQBDRFNEV-HUUCEWRRSA-N 251.414 3.873 30 20 CHED CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)C1(CC)CC 537297018 KQPVLESHBFDLEP-DLBZAZTESA-N 286.419 3.632 30 20 CHED Cc1cc(C#N)ccc1CN(C)CCCOc1ccccc1 614395945 BUDJRKFZPUAECK-UHFFFAOYSA-N 294.398 3.768 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc([C@H](C)C(=O)O)cc1 263176890 GUMHRIDJJVSSSO-LBPRGKRZSA-N 287.359 3.582 30 20 CHED C=CCC1(C(=O)Nc2cc(C)c3c[nH]nc3c2)CCC1 359945515 WYBQNUMFBVHDAP-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NC(CC(C)C)CC(C)C 445666523 WKWUVZUCRVFZEK-KRWDZBQOSA-N 283.456 3.792 30 20 CHED CC(C)=CCN1CCC(Oc2ccc(C#N)cc2F)CC1 353020394 ICOOKNJFNPTTOM-UHFFFAOYSA-N 288.366 3.507 30 20 CHED C=CCN(C(=O)NC[C@@H](c1ccccc1)C(C)C)C1CC1 537855298 ZEMDDVLKSHAOQX-QGZVFWFLSA-N 286.419 3.786 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCc1ccccc1 611390216 KLLZRXJQGSJZBN-IBGZPJMESA-N 276.383 3.768 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1cccc(C#N)c1 610357484 NSHWVJJKXPRLNS-JLJPHGGASA-N 297.402 3.593 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCOc1ccccc1F 539438043 VVZXPJKOALVVIW-AWEZNQCLSA-N 293.382 3.846 30 20 CHED FC1(F)CC(/N=C(/Nc2ccccc2)N2CCCCC2)C1 263278959 RFSNBSVZWLIXKO-UHFFFAOYSA-N 293.361 3.738 30 20 CHED C=C1CCN(C(=O)[C@H](C)c2cccc(Cl)c2)CC1 266156583 SCBJHZJGUFRADK-GFCCVEGCSA-N 263.768 3.622 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F 456121298 XCQVIMFUTHBRQO-WDEREUQCSA-N 277.330 3.684 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C(C)C)nc2C)C1 617778665 LNKGGMCWNJEHSA-HNNXBMFYSA-N 286.419 3.942 30 20 CHED Cc1cn(CCOc2ccc(F)cc2Cl)cc1C#N 539854258 OPVRMHFNZMSSGJ-UHFFFAOYSA-N 278.714 3.540 30 20 CHED C=CCN(C(=O)Nc1cccc(C(C)C)c1)C1CC1 536752160 MQCUGBHDRVPKBQ-UHFFFAOYSA-N 258.365 3.992 30 20 CHED CC[C@H](C)CSCCOc1ccc(C#N)cc1OC 362405700 KVAIECFWFQKNFF-LBPRGKRZSA-N 279.405 3.725 30 20 CHED CC(C)(C#N)CNCc1ccc(OC(F)F)c(Cl)c1 612585815 RCJLGMBRJDPGHY-UHFFFAOYSA-N 288.725 3.581 30 20 CHED C=C(C)CCNC(=O)CCOc1ccccc1C(C)C 456114512 AYGSEAAGKFJYPX-UHFFFAOYSA-N 275.392 3.661 30 20 CHED C[C@@H]1CCc2c(sc(NC(=O)C3CC=CC3)c2C#N)C1 610121683 ZMBLXFRFMBFMAS-SNVBAGLBSA-N 286.400 3.649 30 20 CHED N#Cc1cccc(CNc2cccc3cc[nH]c23)c1F 547811818 JTPNQOSQRZXLFG-UHFFFAOYSA-N 265.291 3.791 30 20 CHED C=CCC1(C(=O)NC2CCC3(CCOCC3)CC2)CCC1 364571226 BEJZNFPBFLLRLF-UHFFFAOYSA-N 291.435 3.588 30 20 CHED CCN(Cc1ccoc1)[C@H](C)c1cccc(C#N)c1 615440068 WOACIZNBYBKZRD-CYBMUJFWSA-N 254.333 3.734 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OC)c2ncccc12 454623465 VFBYYFUIOZVCKK-UHFFFAOYSA-N 299.374 3.577 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1csc(C(C)C)n1 453331598 BXHUBWZHUJQOCS-BZPMIXESSA-N 280.437 3.651 30 20 CHED C=CCC[C@@H](Nc1cccc(-c2nnnn2CC)c1)C1CC1 540825904 KCNVKJYDFGZKSN-MRXNPFEDSA-N 297.406 3.517 30 20 CHED C=CCC1(NC(=O)[C@@H](C)Oc2ccccc2F)CCCC1 619114952 RNTZKYONMQQJBB-CYBMUJFWSA-N 291.366 3.598 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCC[C@H]1CCOC1 453091395 PZBQEDOQTZSBQT-KBPBESRZSA-N 290.432 3.777 30 20 CHED Cn1cc(CNC(C)(C)c2ccc(Cl)cc2)cc1C#N 276939663 GLDXNSZHDCUGQH-UHFFFAOYSA-N 287.794 3.575 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CC[C@@H](F)C1 360359296 IMFQRFDKIVTIGM-VXGBXAGGSA-N 279.380 3.585 30 20 CHED CC[C@H](C)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 364384940 VUCHDMTXJBIJRI-UAGQMJEPSA-N 284.403 3.721 30 20 CHED CC#CC(=O)Nc1cc(C)ccc1SCC(F)(F)F 277631424 JITAUOZFOJLITO-UHFFFAOYSA-N 287.306 3.611 30 20 CHED C=CCC1(C(=O)NCc2cnccc2C)CCCCC1 456193231 PQDLONVEVLSBTB-UHFFFAOYSA-N 272.392 3.533 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 455026034 RKUCQNGULJDGSC-UHFFFAOYSA-N 294.305 3.588 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 452546077 YISFHYZHYYESGL-HNNXBMFYSA-N 296.414 3.841 30 20 CHED CC[C@H](NCc1ccsc1)c1ccc(C#N)cc1 278276870 PQOXANOUAUWQRQ-HNNXBMFYSA-N 256.374 3.861 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 274347606 PXBZPKIOMIIYMQ-RDTXWAMCSA-N 286.419 3.618 30 20 CHED CCc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)o1 453384456 MZULSFWFPNLFQN-LLVKDONJSA-N 272.323 3.704 30 20 CHED C=C[C@H](CC(=O)N1CCCC(F)(F)CC1)c1ccccc1 628633657 HBWZMMMVBAJMNM-CQSZACIVSA-N 293.357 3.994 30 20 CHED C=CC[C@H]1N(C(=O)Cc2ccncc2C)CCCC1(C)C 277918426 HETUETGDOAWEDS-MRXNPFEDSA-N 286.419 3.526 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)COc1c(C)cccc1C 468115351 NVVAVFQSSWDORO-MAUKXSAKSA-N 289.419 3.789 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(F)c1 274280010 ACGQMTMHSIBNFX-CQSZACIVSA-N 282.746 3.537 30 20 CHED CCc1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 546226559 NIZZFDOUPLZKFN-UHFFFAOYSA-N 291.310 3.963 30 20 CHED CC(C)N(CCCC1(C#N)CCOCC1)Cc1ccco1 282124542 YDDZGBULWSGHCD-UHFFFAOYSA-N 290.407 3.591 30 20 CHED N#Cc1nc(Nc2ccc([C@@H]3CCOC3)cc2)ccc1Cl 555237689 KKUBODGRKYZGAU-GFCCVEGCSA-N 299.761 3.854 30 20 CHED C=CCCCCCN(C)[C@@H](C)c1nnc(C)s1 283208774 RVPRYVGHPYUQKH-NSHDSACASA-N 253.415 3.586 30 20 CHED C=CCCN(C)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC 468183322 OEWJNSIKLNTQRD-GOEBONIOSA-N 259.393 3.851 30 20 CHED Cc1cc(C)cc(N(C)C(=O)[C@@H](C)c2cccc(C#N)c2)c1 463464094 ZLEGFHQYLBRNJD-HNNXBMFYSA-N 292.382 3.942 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 285088668 IBYOENIUTWYQQS-CXAGYDPISA-N 288.391 3.591 30 20 CHED CSc1ccc([C@H](C)NCCC(C)(C)C#N)cc1 281273314 FXZGDYIWSZGZJA-LBPRGKRZSA-N 262.422 3.999 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1SC 281517680 BTDFMXAKBOCYHU-NEPJUHHUSA-N 278.421 3.733 30 20 CHED C=CCNc1cccc(CS(=O)(=O)C2CCCCC2)c1 554150444 MXZCWFBYNICFJX-UHFFFAOYSA-N 293.432 3.532 30 20 CHED CC1(C)CN(C(=O)Nc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 297601380 ZGPRRPPEMMAWQO-GJZGRUSLSA-N 283.375 3.601 30 20 CHED C=CCCCC(=O)NCc1ccc(OCC)c(Cl)c1 551340249 FMGNZQZXJUDTJD-UHFFFAOYSA-N 281.783 3.711 30 20 CHED CC(C)N(Cc1ccco1)C(=O)Nc1ccc(C#N)cc1 298758038 YYAPVXRKIOUMLK-UHFFFAOYSA-N 283.331 3.594 30 20 CHED C#CCOc1ccc(CN2CCC=C(c3ccco3)C2)cc1 809688144 CDKCCLNSODRFLK-UHFFFAOYSA-N 293.366 3.581 30 20 CHED C#CCN(CC)C(=O)c1coc2ccc(C(C)C)cc12 804290139 KPNCDFZXIUPDBG-UHFFFAOYSA-N 269.344 3.652 30 20 CHED N#Cc1cccc(COC(=O)c2sccc2Cl)c1F 803770862 VDVYAWNEZVWDSU-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@H]2CC2(F)F)c(C#N)s1 297948496 VYWCRDIZBAIZKB-SSDOTTSWSA-N 284.331 3.511 30 20 CHED C[C@H](CCC#N)N1CCCN(c2ccccc2Cl)CC1 298494935 JTWGVGFCNCJYCQ-CQSZACIVSA-N 291.826 3.544 30 20 CHED C[C@H]1CC(=NNc2ccc3[nH]ncc3c2)c2ccccc21 807981577 OZQFPEDGLVUMQT-NSHDSACASA-N 276.343 3.886 30 20 CHED C=CCCCC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 470082689 RSHKOWOTHBOAIV-SNVBAGLBSA-N 263.303 3.532 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC 560709873 DEHZZRKPKAHBIW-ZIAGYGMSSA-N 285.391 3.755 30 20 CHED CCc1ccc(C(C)=NNc2nccnc2C2CCC2)o1 807991688 PMTZAKZKUIHKRN-UHFFFAOYSA-N 284.363 3.736 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(N2CCCC2)c1 293345608 LGZJWMRYBUEJTO-UHFFFAOYSA-N 272.392 3.828 30 20 CHED Cc1nc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)ccc1C#N 291943262 MZSOILOFUAKTIL-WMZOPIPTSA-N 293.370 3.594 30 20 CHED C=CCC1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CCC1 479981825 CETDILKRZIXXCP-KRWDZBQOSA-N 283.415 3.870 30 20 CHED Cc1cc(SCCCCn2ccnc2C)ccc1C#N 566223167 BVZRKJWIZZLYOS-UHFFFAOYSA-N 285.416 3.944 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cccc(-c2cccs2)c1 806248179 XKIDKTNUNRFVMF-CYBMUJFWSA-N 284.384 3.948 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)cc1 569565813 AFBAANLUGXFZEV-MCIONIFRSA-N 282.387 3.862 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)NCC(C)(C)CC#N 566547110 QNIWJZBMEBYSAB-UONOGXRCSA-N 279.428 3.584 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C)cc1OCCC 299262001 DNTDILVZJPECFF-AWEZNQCLSA-N 291.391 3.704 30 20 CHED Cc1cc(OC(=O)c2cc(C#N)ccc2Cl)ccc1C#N 808779986 PJHDSJGGGXTUBV-UHFFFAOYSA-N 296.713 3.611 30 20 CHED C=CCCC1(C(=O)Nc2ncc(-c3cccnc3)s2)CC1 566015926 VDNFRCNLBKDSEI-UHFFFAOYSA-N 299.399 3.890 30 20 CHED C[C@@H](C=NNc1nc(-c2ccccc2)no1)C(C)(C)C 800811794 JNXWOYPUENQCOK-NSHDSACASA-N 272.352 3.817 30 20 CHED C=CCN1CCC(NC(=O)C[C@@H](C)CCC=C(C)C)CC1 648773457 LBWWHJFCQCVSFN-INIZCTEOSA-N 292.467 3.526 30 20 CHED Cc1cccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1 647371758 YDKQJUHBNXYUSK-ZDUSSCGKSA-N 282.368 3.819 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(SC)n1 648296750 PUFUTXWMQJEHDC-UHFFFAOYSA-N 278.421 3.622 30 20 CHED CC(=NOC1CCCC1)c1nnn(-c2ccc(C)cc2)c1C 814893949 FVEYLIPSHBNECV-UHFFFAOYSA-N 298.390 3.567 30 20 CHED CC(C)C[C@@H](C)CC(=O)N1CCC(CCC#N)CC1 569121694 BYLBHWKLRRAUJT-CQSZACIVSA-N 264.413 3.601 30 20 CHED C=CCC(C)(C)CNC(=O)/C=C\c1ccccc1F 814419953 FHOXPKORJWHZIR-KTKRTIGZSA-N 261.340 3.557 30 20 CHED CC(CCCO)=NN=C(c1ccccc1)c1ccccc1 814692084 XVIITRKZAQTXMU-UHFFFAOYSA-N 280.371 3.672 30 20 CHED CCCCCC[C@H](CC)C(=O)N[C@@](C)(C#N)CSC 813248651 WQXSTFIICOCYKD-ZFWWWQNUSA-N 284.469 3.744 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1OCC 488362262 XUIIUOMCLQKCLG-CYBMUJFWSA-N 292.354 3.797 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(F)c1 488841936 JPGDBXMSALXYOD-LLVKDONJSA-N 267.731 3.660 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(C#N)s1 487038923 MBBULPGXQFYDHD-RYUDHWBXSA-N 276.405 3.566 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(F)cc2C)cc1C#N 815596925 IGVRLTYATQPXJX-CYBMUJFWSA-N 298.361 3.865 30 20 CHED N#Cc1c(F)cccc1CSc1cccc(O)c1 488291523 YEHCNEMNQYHEKO-UHFFFAOYSA-N 259.305 3.695 30 20 CHED C=CCCCCCS[C@H](C)C(=O)N(CC)CC 485574243 FKXWKRSBYJGISH-CYBMUJFWSA-N 257.443 3.723 30 20 CHED CC(C)(C)c1ccc2c(c1)CCCN2C(=O)CCCC#N 813118508 GSSGBGNWYKYRCL-UHFFFAOYSA-N 284.403 3.957 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1csnn1 814871907 OGEYALVSVJIVCY-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C=C[C@H](C)NC(=O)CCc1c(Cl)cccc1Cl 653691403 FCFAZQYDTLJRGT-VIFPVBQESA-N 272.175 3.617 30 20 CHED CC[C@H](C)NN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811648083 DRBPCSWDTBRNSD-ZETCQYMHSA-N 290.150 3.624 30 20 CHED CC(Cc1c(Cl)cccc1Cl)=NNc1cnn(C)c1 814914436 AKYSDJMWQCFHMG-UHFFFAOYSA-N 297.189 3.757 30 20 CHED c1cnc2c(c1)CCC(=NOC1CCCCC1)CC2 817328163 YXQCROLSAXCWOK-UHFFFAOYSA-N 258.365 3.666 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2ccccn2)CCCCC1 654129668 MAAXMERKXPMTEI-OAHLLOKOSA-N 286.419 3.655 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NNC[C@H]1CCSC1 811657844 SIEYGIRNVKUEON-CQSZACIVSA-N 294.439 3.723 30 20 CHED CCOc1ccc(NN=C/C=C\c2ccco2)cc1 814985370 DKRBIXFDFLIYHM-QFVUDUFESA-N 256.305 3.789 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCO[C@@H](C)C1 657971880 SQCIRQIFKMSWSV-HZMVEIRTSA-N 265.441 3.916 30 20 CHED C[C@H](C#N)CN[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 575985169 RVETZGIEBNKSOB-XNRPHZJLSA-N 276.811 3.800 30 20 CHED CC(C)CC1(C)CCN(C(=O)C2(C#N)CC(C)C2)CC1 574492387 VJLQEJINGJJATJ-UHFFFAOYSA-N 276.424 3.601 30 20 CHED N#Cc1cccc(NN=C(Cc2ccccc2)C2CC2)c1 729144366 YOWAMDFQOIOXHR-UHFFFAOYSA-N 275.355 3.979 30 20 CHED CCC(=NNC(=S)NCC1CCC1)C1CCCCC1 727652992 ZQDKFAXQVJORAH-UHFFFAOYSA-N 281.469 3.597 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@H](C)c1cccc(C)c1 495229848 CILZSNIBJWHGMM-RDJZCZTQSA-N 286.419 3.849 30 20 CHED C=CC[C@H](C)N[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 495038618 AUPAPHUUIBREQO-ZQIUZPCESA-N 277.383 3.848 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[C@H](C)CC1 497630370 XHWRUACJNJBLJD-SHTZXODSSA-N 290.407 3.598 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H](OC)C1 728036059 OPAKHODPUQGFGQ-OAHLLOKOSA-N 269.429 3.765 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)CC1CCCC1 490011881 HXXWBLYBAWENFB-ZDUSSCGKSA-N 251.414 3.921 30 20 CHED C=CCN(C(=O)Nc1cccc2ccccc12)[C@@H](C)COC 664320583 KPXMWTJPEPTKMJ-AWEZNQCLSA-N 298.386 3.895 30 20 CHED C#CC[C@H](NC[C@H](O)[C@@H](C)c1ccccc1)c1ccccc1 828688811 XMKBLJHSKZXZTM-VDGAXYAQSA-N 293.410 3.505 30 20 CHED C#CCCCCNC(=O)c1ccc(C)c(Cl)c1Cl 826881767 BKDBNBBMOOKRAV-UHFFFAOYSA-N 284.186 3.835 30 20 CHED CO[C@@H](C#N)c1ccc(-c2cncc(OC(C)C)c2)cc1 906196523 QHOYULVCEJNJBL-KRWDZBQOSA-N 282.343 3.747 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 589349677 MWHBFQLMBFBDRS-GFCCVEGCSA-N 297.333 3.889 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)OCc1ccccc1C#N 732857048 PIFSZXYBAVKRFJ-MRXNPFEDSA-N 293.366 3.870 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N[C@H](C)CC#N 499859107 DZGROPMPWMSRKJ-HIFRSBDPSA-N 264.413 3.791 30 20 CHED N#C[C@@H]1CCCN(C(=S)Nc2ccc3ccccc3c2)C1 905641834 SQIYYXSHDPYYQR-ZDUSSCGKSA-N 295.411 3.772 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)/C=C/C1CCCC1 493645179 OPGOQECAMWDSAI-OCHBPSSRSA-N 284.359 3.662 30 20 CHED C=CCC1(NC[C@H]2C(C)=CCC[C@@H]2C)CCOCC1 668550753 FSMYXXRIUBNGKW-HOTGVXAUSA-N 263.425 3.694 30 20 CHED CCc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)s1 734240662 QVXSXNPJEAXKCP-MRXNPFEDSA-N 290.432 3.903 30 20 CHED CC[C@H](C)n1ncc(NCC2(CC#N)CC2)c1C1CC1 902193661 WLQFPQCNHIWJRY-LBPRGKRZSA-N 272.396 3.837 30 20 CHED C#CC[C@H](OC(=O)[C@@H](CC)CC(F)(F)F)C(C)C 835200513 LRPYSBRPCMIOOB-QWRGUYRKSA-N 264.287 3.556 30 20 CHED C#CCOc1ccc(CN[C@@H](CCC)c2ccccn2)cc1 733327381 USBVRMWTBYPTRY-SFHVURJKSA-N 294.398 3.725 30 20 CHED N#CCCCOc1cccc(CN2CCC[C@@H](C3CC3)C2)c1 589209613 ONSAWIAIBRRMRU-GOSISDBHSA-N 298.430 3.991 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cccc(C(F)(F)F)c1O 903033071 OTYFEWBNNHPCKP-SNVBAGLBSA-N 298.308 3.755 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1cc(C)cc(C)c1 730429874 JYMZRCJHDDXRMK-UHFFFAOYSA-N 268.364 3.546 30 20 CHED N#Cc1ccccc1COC(=O)c1coc2ccccc12 733600379 VBNJINVMCKFGKY-UHFFFAOYSA-N 277.279 3.661 30 20 CHED CC[C@H](NCC1(SC)CCC1)c1cccc(C#N)c1 902976268 NNDHEPIJALTCBR-HNNXBMFYSA-N 274.433 3.885 30 20 CHED C=CCC[C@@H](NCCOC1CCSCC1)c1ccco1 903446146 MQMYYFYQQSOXEU-OAHLLOKOSA-N 295.448 3.789 30 20 CHED CC(C)c1ccoc1C(=O)N1CCC(CCC#N)CC1 582243300 IORHWOHZEPMSCK-UHFFFAOYSA-N 274.364 3.559 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1occc1C 835020415 LRWRFNMAFONJFT-HNNXBMFYSA-N 272.323 3.728 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(SC)cc1 839041803 YDZCYVIHZSHIEC-CHWSQXEVSA-N 292.400 3.521 30 20 CHED CC(C)(C)C#CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 837405489 TXCVBELXPXRNHH-MRXNPFEDSA-N 296.414 3.714 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C2CC3(CCCC3)C2)o1 901181683 BPGREOFZMGGTQF-UHFFFAOYSA-N 286.379 3.966 30 20 CHED C/C(=C(/F)C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 901171546 KURPWEMBCLRERI-JORMNFRLSA-N 286.350 3.801 30 20 CHED C=CC[C@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccncc1 734652572 MZCZHUTZJLKCTA-YOEHRIQHSA-N 295.386 3.759 30 20 CHED Cc1cc([C@H](C)NC(=O)C#CC(C)(C)C)c(C)s1 837334772 CTUSLYNYKOXTAD-NSHDSACASA-N 263.406 3.592 30 20 CHED C=CC[C@H](NC(=O)N[C@H]1CCCC[C@H]1C)c1ccncc1 734652869 USWJYZBSVKLRML-KBMXLJTQSA-N 287.407 3.577 30 20 CHED C=CCN(CCc1ccccc1)Cc1ncc(CC)s1 580125217 YILCZUZOQSCDEL-UHFFFAOYSA-N 286.444 3.936 30 20 CHED COCC#CCN1CCC[C@H]1c1cccc2ccccc12 677133494 ZEDNAFXRWCMSRI-IBGZPJMESA-N 279.383 3.627 30 20 CHED CC(C)(C)CCCC(=O)OCc1ccc(OCC#N)cc1 733485678 CSBFLAORUOWFPK-UHFFFAOYSA-N 289.375 3.849 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1cc(C)cc(C)c1 730431137 NYEFRCSWJSBCCO-UHFFFAOYSA-N 282.343 3.838 30 20 CHED N#CC1(C(=O)OCc2ccc(Cl)cc2Cl)CCC1 736839313 WSQWVCADBHAVGC-UHFFFAOYSA-N 284.142 3.730 30 20 CHED C[C@H](CCC1CCCCC1)NC[C@@H](O)CC(C)(C)C#N 598718437 FCGAWHOSEMSWMK-ZBFHGGJFSA-N 280.456 3.626 30 20 CHED CC[C@@](C)(C=NNc1ccccc1C(F)(F)F)OC 834914724 BRAZCSAWLNIQBB-LBPRGKRZSA-N 274.286 3.918 30 20 CHED CCO[C@@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)C[C@H]1C 595527576 VMEMSNFVJGODQX-DAXOMENPSA-N 292.810 3.652 30 20 CHED CC(=NN=Cc1ccc(C(C)(C)C)cc1)c1cnccn1 745206438 DROMAZUPCHKAIR-UHFFFAOYSA-N 280.375 3.617 30 20 CHED CCn1ccc(CN(C)CCC2(C#N)CCCCC2)c1 591032469 DJPCHDYGRLTYQX-UHFFFAOYSA-N 273.424 3.804 30 20 CHED CC(C)[C@@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1F 837524352 OOTYEFMEVFYESC-MRXNPFEDSA-N 293.769 3.706 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccccc2OC)c1 743537912 CYMWAVPEWFWSJB-QXMHVHEDSA-N 282.339 3.990 30 20 CHED C=C(C)CONC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 845596188 QQLLKCQHNWWVET-AWEZNQCLSA-N 288.391 3.504 30 20 CHED CCCC[C@@H](C(=O)Nc1nc(C)cc(C)c1C#N)C(C)C 598856120 DKTNLOHBOPVVRU-CQSZACIVSA-N 287.407 3.971 30 20 CHED COc1ccc(C=NNCc2ccccc2)c2ccccc12 915952406 ZEUHQZDDWDYUCQ-UHFFFAOYSA-N 290.366 3.972 30 20 CHED N#CC1(c2cccc(-c3ccnc(Cl)c3)c2)CCOCC1 844227655 ROFBFMAQGOHYSD-UHFFFAOYSA-N 298.773 3.974 30 20 CHED CC(=NNc1ccccn1)c1ccc(OC(C)C)cc1 916273490 GNASLARXBKHVIS-UHFFFAOYSA-N 269.348 3.705 30 20 CHED CC(C)(C)CCNN=Cc1cccc(O)c1Br 841633801 ZSSRBJNFRSQOJS-UHFFFAOYSA-N 299.212 3.514 30 20 CHED CC(=NNCc1cccc2cccnc12)c1ccc(F)cc1 915963286 REATVAWYYMARGH-UHFFFAOYSA-N 293.345 3.888 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCCCC(F)(F)F 847670206 VDSJJPQILZAQNM-NSHDSACASA-N 299.292 3.623 30 20 CHED Cc1c(C(=O)N2CCC[C@H](CC#N)C2)oc2ccccc12 597916344 MGRYAZLPLFXASU-CYBMUJFWSA-N 282.343 3.507 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)CCCCCC#N 590768242 ORMDBEPJEGVJJH-LSDHHAIUSA-N 264.413 3.793 30 20 CHED N#Cc1ccc(CCN[C@@H](C2CCCC2)C2CC2)cc1 595057836 XSIYZZMZULAEJY-SFHVURJKSA-N 268.404 3.659 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H]2C2CCC2)c1 590859081 ZUFKCHSDBAYODX-MRXNPFEDSA-N 283.375 3.663 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)nn1)[C@H]1CC1(C)C 841633031 MSNXUHIZDCJQJY-MRVPVSSYSA-N 286.301 3.719 30 20 CHED C=CC1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1 599665836 GRGXKGQRDYIGNM-UHFFFAOYSA-N 273.376 3.512 30 20 CHED CCOc1cccc(/C=N\CCOc2ccccc2C)c1O 917558549 XFTBVTKRPCIXQL-UYRXBGFRSA-N 299.370 3.597 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1cc(C)sc1C 916241289 RSNNLLIBWQEHRN-UHFFFAOYSA-N 274.393 3.608 30 20 CHED Cc1ccc(NN=C[C@@]2(C)C[C@@H]2c2ccccc2)nc1 841626385 GQTMFQAZAUXOQL-NVXWUHKLSA-N 265.360 3.982 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 597287382 SZBQTOXCKMMPEM-CABCVRRESA-N 276.424 3.936 30 20 CHED CC[C@H](COC(=O)/C=C\c1ccccc1C#N)CC(F)F 845761007 JFZYHTXHOGRESZ-KRZKBDHCSA-N 293.313 3.796 30 20 CHED FC(F)CNN=Cc1cc(-c2ccccc2)cs1 740616438 NAVZCJKZGOHSKK-UHFFFAOYSA-N 266.316 3.604 30 20 CHED CC1(C)C[C@]1(CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 596115659 DBBGRBGLVIQEOB-LESCRADOSA-N 268.404 3.636 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(OC(C)C)cc1Cl 844641592 NBZILYZYFZFRAN-JTQLQIEISA-N 298.770 3.755 30 20 CHED C=C(C)CNC(=S)N1CC[C@@H](c2ccccc2)[C@H](C)C1 741861234 DAZRHMCAHYCOSQ-GDBMZVCRSA-N 288.460 3.563 30 20 CHED C=C(C)CCOC(=O)CCOc1ccc(C)cc1C 744302810 ADMIATBPTPKGTA-UHFFFAOYSA-N 262.349 3.582 30 20 CHED CC1(C#N)CCC(N[C@@H]2COc3c(Cl)cccc32)CC1 590646761 IVUUKIHRWOSHPP-OFWKBQFLSA-N 290.794 3.836 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccnn1CC(C)C 843269415 QDTSGVJZJIDESJ-SREVYHEPSA-N 298.386 3.752 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C=C(\C)c1cccc(Cl)c1 749933831 LXCFORHCGVZEHC-SHQCLWGWSA-N 276.767 3.552 30 20 CHED Cn1ccnc1C(=O)/C=C\c1ccc(Cl)cc1Cl 920963613 UPIYLYHUPCFZAQ-HYXAFXHYSA-N 281.142 3.623 30 20 CHED C#CC[C@@H](Nc1ccc(C#N)cc1F)c1ccccc1 756957695 ZMFFWAXZYHKVLD-MRXNPFEDSA-N 264.303 3.874 30 20 CHED C=CCC[C@@H](C(=O)N1CCn2cccc2C1)c1ccccc1 928961916 ZDFGQKCHBZBZKG-GOSISDBHSA-N 294.398 3.580 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1coc(CC)n1 851143261 KDJSEVMHZQMDRV-YPMHNXCESA-N 263.337 3.529 30 20 CHED C=C[C@@H](OC(=O)[C@H](C)c1c(C)nn(C)c1C)c1ccccc1 851454067 XCRLPUWFJARPFV-MLGOLLRUSA-N 298.386 3.611 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC[C@@H](C#N)C1 928219471 WQOVGQCOAKEHQH-PMPSAXMXSA-N 296.414 3.738 30 20 CHED COc1ccc(C(C)=NN[C@@H](C)c2ccccc2)c(F)c1 920385410 CHYXMYMLSQOBKW-LBPRGKRZSA-N 286.350 3.909 30 20 CHED C=C(C)[C@H](NC(=O)[C@H]1CC12CCC2)c1ccc(F)c(F)c1 681246227 SGNWHNXXNOLOOP-DOMZBBRYSA-N 291.341 3.888 30 20 CHED C#C[C@@H](CC)NC(=O)N(Cc1ccccc1)CC(C)(C)C 753258325 BDKARVOFNDAUMV-INIZCTEOSA-N 286.419 3.656 30 20 CHED C=CCC1(NC[C@@H](O)c2ccc(Cl)c(F)c2)CCCC1 852587879 JSOZNVYKSSRDHS-OAHLLOKOSA-N 297.801 3.991 30 20 CHED Fc1cccc(NN=CC2=Cc3ccccc3OC2)c1 920385924 LDPCFLLUFUFAFT-UHFFFAOYSA-N 268.291 3.699 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@H]1C(C)C)c1ccccc1 757057595 JOLTVUVQIBIYNC-SJORKVTESA-N 284.403 3.581 30 20 CHED C#C[C@](C)(CC)NC(=O)c1oc2c(C)cccc2c1C 854701676 VLFSGYQWSVJBRD-QGZVFWFLSA-N 269.344 3.581 30 20 CHED CCOCc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1 924639627 RMPDVKIONOFSGG-AWEZNQCLSA-N 274.408 3.641 30 20 CHED N#CCC1(COc2c(C=O)ccc3ccccc23)CC1 853705668 ANXKJDORZPEDOA-UHFFFAOYSA-N 265.312 3.725 30 20 CHED C#CC[C@@H](NC(=O)NCc1ccc(C)cc1)c1ccccc1 756922668 WPSXTUCRDUVURD-GOSISDBHSA-N 292.382 3.559 30 20 CHED C#CCCOC(=O)N(CCC)c1ccc(Cl)cc1 858972451 OYBBPAGKELXEDV-UHFFFAOYSA-N 265.740 3.716 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)[nH]1)c1ccc(Cl)cc1 752487774 LFOQYRAGIVZAIR-CQSZACIVSA-N 288.734 3.848 30 20 CHED CN(CCCCC1(C#N)CCC1)Cc1cc(Cl)cn1C 929826867 YUJNMGDHSDTSIQ-UHFFFAOYSA-N 293.842 3.974 30 20 CHED C=C(Br)CNC(=O)c1ccc(CC(C)C)cc1 921043514 VZVRSFZDLSEOHS-UHFFFAOYSA-N 296.208 3.524 30 20 CHED Cc1cc(O)c(CN(C)c2ccccc2C#N)cc1C 754767325 CEDVJGFVJHXQEP-UHFFFAOYSA-N 266.344 3.517 30 20 CHED Cc1cc(CN(C2CC2)[C@@H](C)C#N)ccc1N1CCCCC1 852481293 JJTDZAPHGXQQIK-INIZCTEOSA-N 297.446 3.862 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(Cl)cc1 851212783 BGAUWHBMROEFSZ-JTQLQIEISA-N 265.740 3.825 30 20 CHED CC1(C)CC(C(=O)N(c2ccc(C#N)cc2)C2CCC2)C1 857675882 BKPNDNZTLNNZTJ-UHFFFAOYSA-N 282.387 3.880 30 20 CHED Nc1nc(Cl)cc(NN=C2CCC(=C3CCC3)CC2)n1 853328887 QIJYCYXNNSUIMU-UHFFFAOYSA-N 291.786 3.535 30 20 CHED COc1cccc2c1CCC2=NNc1ccc(F)cc1F 759647015 ULHFWQVQMSGJIX-UHFFFAOYSA-N 288.297 3.736 30 20 CHED N#C[C@@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1 932150094 FJRIKKYAIBQNGR-ZDUSSCGKSA-N 283.400 3.546 30 20 CHED C#CCCCNC(=O)/C(C)=C\c1c(Cl)cccc1Cl 766521737 SQCCJILBLVGCLG-KHPPLWFESA-N 296.197 3.926 30 20 CHED CCCCC[C@@H](C)NC(=O)Nc1ccc(C#N)cc1OC 766242398 VQMSFXAKGVYVGI-GFCCVEGCSA-N 289.379 3.657 30 20 CHED COc1cc(F)ccc1NN=C(C)C1CCSCC1 761886236 XJWCGCOGKCRFQE-UHFFFAOYSA-N 282.384 3.765 30 20 CHED COCc1cc(N[C@H](C)c2cccc(C#N)c2)ccc1OC 866500838 ZUICYHQYHCERLB-CYBMUJFWSA-N 296.370 3.886 30 20 CHED CCCCCCCCC(=O)OC[C@H]1CCCCO1 936067473 UCKXPGJJEAKEBB-CQSZACIVSA-N 256.386 3.849 30 20 CHED CCCCCCCNC(=O)c1cccc(COC)c1 862359670 PYKBLRKPTONDCJ-UHFFFAOYSA-N 263.381 3.533 30 20 CHED CCC(CCc1ccccc1)=NOCc1cccnc1 863103795 KTUHYJMUXMHOEK-UHFFFAOYSA-N 268.360 3.997 30 20 CHED C[C@H]1CCC(=NNc2cccc([N+](=O)[O-])c2)C[C@@H]1C 767363299 YZYHPHJSWMQSFH-QWRGUYRKSA-N 261.325 3.819 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H](Nc2ccccc2)C1 934946307 YBBAQTZCPLAANO-DOTOQJQBSA-N 286.419 3.692 30 20 CHED C=C(CNc1nc(C(C)(C)OC)ns1)c1ccccc1 865807077 HJJBCOLPDJUAQL-UHFFFAOYSA-N 289.404 3.545 30 20 CHED Fc1ccc(NN=CCc2ccc(F)cc2Cl)nc1 766450442 IWEHEHPTQIDQEL-UHFFFAOYSA-N 281.693 3.654 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sc(-c2ccccc2)cc1OC 767251816 ANNKJOXIHQOJDE-GFCCVEGCSA-N 299.395 3.517 30 20 CHED C#CCCc1noc(-c2cc(C)c(C)cc2Cl)n1 762011101 FPEQANOXSWCXMW-UHFFFAOYSA-N 260.724 3.573 30 20 CHED Cc1cc(/C=C2\Oc3cc(F)cc(F)c3C2=O)ccc1C#N 766492010 UHGRWAPMYXLKSN-WCSRMQSCSA-N 297.260 3.761 30 20 CHED COc1cc(/C=C2/Cc3ccc(C)cc3C2=O)ccc1F 1116377865 QZKBXOLGNNMXJJ-ZSOIEALJSA-N 282.314 3.965 30 20 CHED C=CCCCC(=O)Oc1ccc(CCOC)cc1Cl 861440864 IGOLBICCEKLLRT-UHFFFAOYSA-N 282.767 3.791 30 20 CHED Cc1cc(OC(=O)c2ccc3ncsc3c2)ccc1C#N 765093086 FIKQGQTVDCZENA-UHFFFAOYSA-N 294.335 3.696 30 20 CHED C=CCc1ccc(OC(=O)[C@H]2CC[C@H](C)C2)c(OC)c1 776289892 BZFOTXLBUIRHLH-JSGCOSHPSA-N 274.360 3.765 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1cc(C)nc(C)n1 779773663 RSKNXEVAKNOSCB-NSHDSACASA-N 262.401 3.954 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C1(F)CCCC1 773128850 FWKXTVCIRKBBDA-UHFFFAOYSA-N 289.354 3.601 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1cc(Cl)nc(N)n1 779788795 XTVOWOWLFSIMHO-SECBINFHSA-N 283.807 3.572 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccc(F)cn1)c1ccncc1 771392325 VXJSKHQAQOKKLY-BLLLJJGKSA-N 271.339 3.584 30 20 CHED C=CCC[C@H](CCC)NC[C@](C)(O)c1ccc(F)cc1 773116870 GBAKYSRATNMTJD-IRXDYDNUSA-N 279.399 3.758 30 20 CHED CC(CCC1CCCCC1)=NNc1cc(Cl)nc(N)n1 778548935 NPKBIGKEFJINBT-UHFFFAOYSA-N 295.818 3.861 30 20 CHED Clc1ccc([C@H]2CCCC2=Nn2cnnc2)cc1Cl 776177685 SZRVKBCNAWTVPM-SNVBAGLBSA-N 295.173 3.757 30 20 CHED Fc1cc(Cl)cc(C=NNCc2ccc(F)c(F)c2)c1 776723385 HLIZYPFUTQQCQT-UHFFFAOYSA-N 298.695 3.881 30 20 CHED C=C[C@@H](CC)OC(=O)/C=C/c1ccc2[nH]ccc2c1 776104988 NPVCCIDXLJXBPC-OWNNVSBGSA-N 255.317 3.689 30 20 CHED CC(CCCC(F)(F)F)=NOCC(F)(F)F 774396524 GPNOQXGTZSGDAA-UHFFFAOYSA-N 251.170 3.674 30 20 CHED N#CC1(COC(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1 775855883 VZGBWBNLCFAVFS-GFCCVEGCSA-N 297.276 3.570 30 20 CHED Cc1ccc(SCCC(=O)OCC2(C#N)CC2)cc1C 775841457 YVGBSTMJGYVZJB-UHFFFAOYSA-N 289.400 3.633 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc2c(c1)COC2 777913078 IGRDWGJZSYFLCH-UHFFFAOYSA-N 287.750 3.601 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)s1 777916058 UFHORSWYHBPFEV-XQRVVYSFSA-N 291.303 4.000 30 20 CHED O=C(O)c1cccc(NN=Cc2cscc2Cl)c1 771872313 UKLUWALWXKKTLL-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CC(C)(C#N)CCOC(=O)c1cccn1Cc1ccccc1 776363658 OSQQUHCCBSWKKS-UHFFFAOYSA-N 296.370 3.633 30 20 CHED COc1ccc(C(=O)OCCC(C)(C)C#N)c2ccccc12 776362862 DOAPMBHWHCHWFH-UHFFFAOYSA-N 297.354 3.945 30 20 CHED C=C[C@](C)(CC)C(=O)OC[C@@H]1CCC2(CCCC2)O1 784877005 FHLSRRVQTFDCAW-DZGCQCFKSA-N 266.381 3.624 30 20 CHED CC(C)(C#N)CCCOC(=O)C1CCCCCC1 783371195 BWNHOBYIWUMSMO-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CCCCCCCN1CCC[C@H](CCC(=O)O)C1 106353480 SHSCONORCNRDTJ-CQSZACIVSA-N 255.402 3.534 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H]2c2ccc(F)cc2)nc1 783292515 ASLUVHLABPNBSR-ZWKOTPCHSA-N 295.361 3.518 30 20 CHED CCOc1ccc([C@@H](C)OC(=O)[C@](C)(C#N)CC)cc1 1127812437 MPEVVDJLBKHQSX-WBMJQRKESA-N 275.348 3.629 30 20 CHED Fc1cccc(C2CC(=NO[C@H]3CCCCO3)C2)c1 781597826 YZPVHEOMNIWJIW-CVRLYYSRSA-N 263.312 3.602 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)c(C)c2)s1 782022211 HSUMIAQTZRHCGG-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C[C@@H](OC(=O)/C=C\c1cccc(O)c1)c1cccc(C#N)c1 784062558 SSVDPZYSEXGJJX-LJTDUEICSA-N 293.322 3.581 30 20 CHED COc1ccc(C#N)cc1NCCCCC(F)(F)F 269683095 GOYGZDDDRUCXPE-UHFFFAOYSA-N 272.270 3.711 30 20 CHED CC(C)(C#N)CCCOC(=O)CCn1ccc2ccccc21 782525995 HGGIFUXKENWYMT-UHFFFAOYSA-N 298.386 3.905 30 20 CHED CCc1nc(C)c([C@H](C)N(C)CCCSCC#N)s1 80632013 LEGKBTIMJMFOAN-LBPRGKRZSA-N 297.493 3.654 30 20 CHED C=C(C)CCc1noc([C@H](O)[C@@H](C)c2ccc(C)cc2)n1 896281034 MWLMQOPBDZQYPD-XJKSGUPXSA-N 286.375 3.724 30 20 CHED CCCC1CCC(=NNc2ncncc2Cl)CC1 780280570 RKXJYSMPPDWZPZ-UHFFFAOYSA-N 266.776 3.888 30 20 CHED CCCCCC[C@H](C)C(=O)N(CC#N)c1ccccn1 892470135 LVXHMWZDVAVMBZ-AWEZNQCLSA-N 273.380 3.545 30 20 CHED N#Cc1csc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 246125446 DOXUYYOQRPETEP-MBEZOWKRSA-N 272.417 3.534 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 783307667 RSEYFTUBSXVQCW-HUUCEWRRSA-N 296.455 3.720 30 20 CHED C#CC[C@@H](NC(=O)N1CCCC[C@H]1C=C)c1ccccc1 787296458 MPAMVRIHKXLPFS-IAGOWNOFSA-N 282.387 3.501 30 20 CHED C=C(Br)CNC[C@@H]1CCC[C@@H](CC)C1 394609788 IQPSZUIQEAKPKD-VXGBXAGGSA-N 260.219 3.701 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1c[nH]c2cc(C)ccc12 785863478 ZYKKEFMXKKGQLU-OAHLLOKOSA-N 282.387 3.586 30 20 CHED CCCCCCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 703765831 PUHFBHXVSQFSJA-ZNMIVQPWSA-N 253.430 3.750 30 20 CHED Cc1nn(C(C)C)c(C)c1CN(C)Cc1ccc(C#N)cc1 891604972 UYVOLOMRPQBMTG-UHFFFAOYSA-N 296.418 3.585 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCc2cc(F)ccc21 1201841022 YPUJPHKVXWFNDW-UHFFFAOYSA-N 295.317 3.600 30 20 CHED Clc1cccc(NN=Cc2ccnc3ccccc23)n1 793163171 YHEASIYTEUYVSZ-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CCN(Cc1cc(F)ccc1Br)C[C@H](C)C#N 104676255 MMSLHNUUVMVLFA-SNVBAGLBSA-N 299.187 3.570 30 20 CHED C#CCCCCC(=O)N(C)Cc1ccccc1SC 279688463 NHJNBVCBGBBRJG-UHFFFAOYSA-N 275.417 3.561 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1ccc(Br)cn1 279650534 FADXBGPPEZRGQE-GHMZBOCLSA-N 283.213 3.849 30 20 CHED CCCC[C@H](CC)C(=O)NO[C@@H](C)c1cccc(C#N)c1 794726045 JXZOIZQCXLCVMJ-ZFWWWQNUSA-N 288.391 3.883 30 20 CHED C#CCOc1ccc([C@@H](C)NCCC2(C)CC2)cc1 794828401 OIABVRZAVWALPM-CQSZACIVSA-N 257.377 3.539 30 20 CHED Fc1ccccc1CCNN=C1CCC(C(F)F)CC1 799482995 COSSRMOQOKBDTP-UHFFFAOYSA-N 284.325 3.769 30 20 CHED CCCCCCCCN1CC[C@H](CN(C)CC)C1 744423869 PKTRBWKAVYSYQF-MRXNPFEDSA-N 254.462 3.621 30 20 CHED Cc1cc(C(=O)/C=C2\COc3ccc(F)cc32)oc1C 799896016 FZALBLGPMZXXEB-IZZDOVSWSA-N 272.275 3.694 30 20 CHED N#CCc1cccc(NCc2ncccc2C(F)(F)F)c1 1202436471 STYMJPWFHINYNN-UHFFFAOYSA-N 291.276 3.779 30 20 CHED N#Cc1csc(C(=O)Nc2cccc(-c3ccon3)c2)c1 1134058957 FXCDZCPXKDWUNB-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cc(F)cc(F)c1O 793162029 PARXTIINOFGEMC-UHFFFAOYSA-N 297.692 3.555 30 20 CHED CC1(C)C[C@H](NN=C/C=C\c2ccc(F)c(F)c2)CCO1 794932696 JNLOFQKCRCQAMH-PFLYHJETSA-N 294.345 3.511 30 20 CHED CC1(CNN=Cc2cnc(-c3ccccc3)nc2)CCCC1 793084477 OWPBSFTXOWWEBJ-UHFFFAOYSA-N 294.402 3.647 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 791065661 AEZBQSWYOYITJS-HUUCEWRRSA-N 290.794 3.598 30 20 CHED CCn1cc(C=NNc2cc(Cl)cc(Cl)c2)cn1 790202630 UIARTGQIEYDBOL-UHFFFAOYSA-N 283.162 3.656 30 20 CHED CCCCCCCN1CCO[C@H](c2ccco2)C1 753847832 ZBYCVQKYOVDTLS-HNNXBMFYSA-N 251.370 3.623 30 20 CHED O=C(/C=C/c1ccnn1-c1ccc(F)cc1)c1ccsc1 794935907 VFTYPISQHLTYDN-AATRIKPKSA-N 298.342 3.969 30 20 CHED Cc1ccc([C@@H](C)NCCOc2cccc(C#N)c2)s1 754654638 DUVZXTASNSIJOZ-CYBMUJFWSA-N 286.400 3.658 30 20 CHED C=C(Cl)CNC(=O)Nc1cnn(CCCC)c1C(C)C 792499904 ISTGPOAOOLHYHI-UHFFFAOYSA-N 298.818 3.681 30 20 CHED N#Cc1ccc(/C=C2\CCc3ccc(O)cc3C2=O)c(F)c1 794960432 RTFMAYUUSZTNIG-RIYZIHGNSA-N 293.297 3.615 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1ccnc(O)c1 790294810 XHTIVVKRASWXBY-UHFFFAOYSA-N 296.157 3.930 30 20 CHED C=CCCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1 798671511 SECZHFLNHLKISM-VIFPVBQESA-N 273.254 3.671 30 20 CHED C=CCCCOC(=O)c1ccc(C(F)(F)F)cc1 735528620 QLHXNARCUVXTSM-UHFFFAOYSA-N 258.239 3.828 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N1CCC[C@](C)(C#N)C1 592788316 WVDCESZLRAOQQD-DOTOQJQBSA-N 276.424 3.911 30 20 CHED C#CCCCCC(=O)NCc1ccc(C(C)(C)C)cc1 773227140 RDZALGYSMKCWLU-UHFFFAOYSA-N 271.404 3.794 30 20 CHED C#CCN(C(=O)C[C@H]1C=CCCC1)C1CCCCC1 777602029 DVSQQSYDQDBKIH-HNNXBMFYSA-N 259.393 3.527 30 20 CHED Cc1ccccc1CCN[C@H](C)c1cccc(C#N)c1 94182689 SSTDQUXCIFXMNH-OAHLLOKOSA-N 264.372 3.760 30 20 CHED C#CC(C)(C)N(C)Cc1ncc(-c2ccc(Cl)cc2)o1 787997675 OXKBIYUIQHJVLS-UHFFFAOYSA-N 288.778 3.839 30 20 CHED C[C@@H]1N(c2ncc(C#N)cc2F)c2ccccc2C1(C)C 1307167439 ABAUUPQDHRZEDK-NSHDSACASA-N 281.334 3.910 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC2CC3(CCC3)C2)n1 1640104990 BDIJNCXTJQGCLA-UHFFFAOYSA-N 269.392 3.995 30 20 CHED C=CCCCCNC(=O)N1CC[C@H]2CCCC[C@H]2C1 1320647418 XDTFTNFBSKZADS-CABCVRRESA-N 264.413 3.564 30 20 CHED Cc1cc(N(C)C)ccc1CNc1ccc(OCC#N)cc1 1326047098 UNQAOHRYZINPMM-UHFFFAOYSA-N 295.386 3.576 30 20 CHED C=CCCCCCCNCc1cccc2cn[nH]c12 1323445932 OYJLHAWGEBBMFK-UHFFFAOYSA-N 257.381 3.789 30 20 CHED CCCC[C@H](C)[C@H](C)NCc1cccc(OCC#N)c1 1323664930 QFPLEHBKXXRRSW-GJZGRUSLSA-N 274.408 3.893 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(-c2ccco2)s1 1337581634 VADMTANCBGHUOW-NSHDSACASA-N 288.372 3.772 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1nncc(N)c1Cl 1337429349 NYVXXNLPFKRJFM-VIFPVBQESA-N 283.807 3.572 30 20 CHED Cc1cccc2c(C(=O)O[C@H]3CC[C@H](C#N)C3)coc12 1344672481 QCZNPZQDTBCSOI-RYUDHWBXSA-N 269.300 3.590 30 20 CHED Cc1ccc(C[C@H](C)C(=O)O[C@@H](CC#N)c2ccco2)cc1 1345982614 VTNIVGHANORAQM-YOEHRIQHSA-N 297.354 3.965 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@H]1CCC[C@H](C)C1 1350357774 KLUFPNHVLADJTD-FZMZJTMJSA-N 257.333 3.602 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@H](C#N)C2)c1 1455571529 ZOXCBDOEPUIMSW-DOTOQJQBSA-N 298.430 3.751 30 20 CHED C=C(CC)C(=O)Nc1cc(Br)c(F)cc1C 1521414263 NYRPNCUNDPHIMI-UHFFFAOYSA-N 286.144 3.801 30 20 CHED CC1(C)C[C@]1(C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 1528079456 BLDORUJEXLWRHK-ZSZQSSIHSA-N 297.398 3.980 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(Cl)c2F)cs1 1523927429 LQVWNXGRFIAREK-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N(C)[C@H](C)C#N 1527365965 UAJOGOSRGDTWIG-XYSPPFBYSA-N 290.451 3.990 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](C)C1CCCCC1 1526210001 ULDTULOHGSDMRX-CYBMUJFWSA-N 270.376 3.565 30 20 CHED C=CC[C@H](C)S[C@H](Cc1ccc(C)cc1)C(=O)O 1602837521 ZMKYHTSKADNCCN-GXTWGEPZSA-N 264.390 3.689 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C2(C3CCCCC3)CC2)C1 1535479538 TZCLZGSQPMDSKJ-UKRRQHHQSA-N 275.392 3.972 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1535439250 FXLDRXVCURWPTO-CMPLNLGQSA-N 292.329 3.991 30 20 CHED C=C(C)c1cccc(NC(=O)/C=C/c2ccc(C(=O)O)o2)c1 1602772470 ZRVLAJMEBDFAHS-VQHVLOKHSA-N 297.310 3.663 30 20 CHED CCC1(CC)CCCN(CCOc2ccccc2C#N)C1 1473641735 UXGOPAMDWHMSKR-UHFFFAOYSA-N 286.419 3.839 30 20 CHED C[C@H]1CCCC[C@H]1N(C)c1nc(C#N)c(Cl)s1 1611775994 ZNVKQSANEKNNOJ-WCBMZHEXSA-N 269.801 3.683 30 20 CHED Cc1cc(C)c(C)c(Oc2ncc(C#N)cc2F)c1 1472642935 OPLVXCQYEXQKEM-UHFFFAOYSA-N 256.280 3.810 30 20 CHED N#CCCCSCc1ccc2oc(C(=O)O)cc2c1 1610621709 RICFVWITRBHCTF-UHFFFAOYSA-N 275.329 3.668 30 20 CHED CCOC(=O)[C@@H](C)/C(=N/c1ccccc1)C(F)(F)F 100480262 UMYPDPFVEBBHKV-MQAXGYDLSA-N 273.254 3.521 30 20 CHED N#Cc1c[nH]ccc1=N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1612487670 JEEMIVOFFFMADR-CJNGLKHVSA-N 297.789 3.777 30 20 CHED N#Cc1ccc(NC2CCCC2)cc1Br 228173049 UEEMELRBXNJAFJ-UHFFFAOYSA-N 265.154 3.675 30 20 CHED CC(C)Oc1ccc(Oc2ccnc(C#N)c2)cc1 1611967384 GVEUKUMNMIGBQG-UHFFFAOYSA-N 254.289 3.533 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)c1ncc(C#N)cc1F 1639311835 CNAXYTGZHDACHL-JTQLQIEISA-N 289.741 3.943 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(F)ccc2NC2CC2)cc1 1635017748 ZVYKORNULLLYME-UHFFFAOYSA-N 295.317 3.524 30 20 CHED C=C(C)c1cccc(NC(=O)c2cccc(C(=O)O)c2)c1 1573329373 FEDORLFJZRSWMH-UHFFFAOYSA-N 281.311 3.670 30 20 CHED Cc1cccnc1[C@@H](C)Nc1cccc(F)c1C#N 1643304955 OYYYAMCEEPITTQ-LLVKDONJSA-N 255.296 3.574 30 20 CHED C[C@@H](Sc1cncc(C#N)n1)c1ccc(Cl)cc1 1650699950 KDSJIMKLECRQHS-SECBINFHSA-N 275.764 3.855 30 20 CHED CC[C@@H](C)Oc1cc(Oc2ccc(C#N)cc2C)nc(C)n1 1650712700 YMIGIIPWVIOKSP-GFCCVEGCSA-N 297.358 3.935 30 20 CHED Cc1nn(C)cc1CSc1ccc(Cl)cc1C#N 1656331608 HJWCPBOEXMXKKY-UHFFFAOYSA-N 277.780 3.546 30 20 CHED CC[C@H](NC(=O)Nc1scc(C)c1C#N)[C@H]1CC1(C)C 1669740129 PUFLPLBNLADBMC-NEPJUHHUSA-N 291.420 3.874 30 20 CHED CC(C)(C#N)CCCCOc1ccc([N+](=O)[O-])cc1 232520994 XBGMEUQPKMKUFO-UHFFFAOYSA-N 262.309 3.694 30 20 CHED CN(C(=O)Nc1cc(F)cc(C#N)c1)C1CCCCCC1 1674213241 NIWVXVJRTSWGCP-UHFFFAOYSA-N 289.354 3.884 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 1672775837 RTQGXZKPPUUFMF-RMRKRWHISA-N 297.402 3.813 30 20 CHED C=CCCCCN1CC[C@@H]2C[C@H](CC(=O)O)CC[C@H]2C1 1776174868 ULMCSDJQEBGOGF-OAGGEKHMSA-N 279.424 3.556 30 20 CHED O=C(O)c1cc(NN=Cc2ccccc2Cl)ccc1F 1776061628 GYAZXKBQOZRKOK-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=CC[C@@H](NCc1cccc2cc(Cl)ccc12)C(=O)O 1776185932 RCLXMDAIFOKVBJ-OAHLLOKOSA-N 289.762 3.612 30 20 CHED CC1(C)CCN(C(=O)NCC2(CC#N)CC2)CC(C)(C)C1 1680715332 KOPCVCXWGPKEGC-UHFFFAOYSA-N 291.439 3.538 30 20 CHED O=C(O)c1cccc(NN=Cc2ccccc2C(F)F)c1 1776038554 QHIKTNNVVAAAKB-UHFFFAOYSA-N 290.269 3.768 30 20 CHED C=CC[C@]1(C(=O)O)CCN(Cc2ccc3ccccc3c2)C1 1776162483 GQNXTQJYEQCPQY-IBGZPJMESA-N 295.382 3.693 30 20 CHED COc1ccc(CNc2ccc(F)cc2C#N)cc1Cl 135201152 ABMJZISUJRSDRP-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CSCC[C@H](C)N(C)Cc1ccc(C#N)cc1Cl 162936704 FLMHYJCBYLYFJM-NSHDSACASA-N 282.840 3.785 30 20 CHED C=CCc1cc(OC)cc(CN(CC(F)F)C(C)C)c1O 164525877 GUMYJKOZPFSOLL-UHFFFAOYSA-N 299.361 3.605 30 20 CHED C=CCN(CC=C)C(=O)c1c(-c2ccccc2C)noc1C 200736176 HTIHPKFURKNJJT-UHFFFAOYSA-N 296.370 3.773 30 20 CHED CCc1ccc(CC(=O)Nc2sc(CC)cc2C#N)cc1 151977523 VHNSOAMJNLQGPS-UHFFFAOYSA-N 298.411 3.926 30 20 CHED C=CCN(C)C(=O)Nc1ccc(N(C)CCCC)cc1 157356062 QEISRIPPFAOCAV-UHFFFAOYSA-N 275.396 3.573 30 20 CHED C=CCC[C@H](NC(=O)NCCc1ccco1)c1ccccc1 155994657 RTSJPYIPTWMNBA-KRWDZBQOSA-N 298.386 3.829 30 20 CHED C#CCCCCNC(=O)N(C)Cc1ccc(C(C)C)cc1 154918918 XTHCZCMMLYYJPX-UHFFFAOYSA-N 286.419 3.755 30 20 CHED COc1cccc(C(=O)/C=C\c2cccc(F)c2F)c1 208269171 YUDOEFBATLXHJO-HJWRWDBZSA-N 274.266 3.870 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1C 209644171 QPQPHLLELMPGFA-UTCJRWHESA-N 296.322 3.628 30 20 CHED Cc1nc([C@H](C)Nc2ccc(OCC#N)cc2)cs1 36915282 QOJQUMFWCUTTOL-JTQLQIEISA-N 273.361 3.527 30 20 CHED C[C@@H](N[C@H]1CCC(C)(C)C1)c1ccc(OCC#N)cc1 164665684 MZBRYRUAWYTMEL-HIFRSBDPSA-N 272.392 3.818 30 20 CHED Cc1ccccc1[C@H](C)NC(=O)C1(C#N)CCCCC1 44385612 VSZDDDCHRSPQIC-AWEZNQCLSA-N 270.376 3.646 30 20 CHED N#Cc1cc(NC(=O)c2ccccc2Cl)ccc1F 51637430 UUGUPCNIAADSFR-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC(F)(F)CCNc1c(C#N)cnc2ccccc12 294346576 YXJORDFBOVIRNY-UHFFFAOYSA-N 261.275 3.564 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1ccc(C#N)c(F)c1 191946940 ZHJBSLUUIRBNRD-NSHDSACASA-N 274.364 3.952 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Nc1cccc(C#N)n1)C2 346401879 NBRUPYXOUUAXNY-RBOXIYTFSA-N 255.365 3.580 30 20 CHED Cc1ccc(OCCO[C@H](C)C#N)c(C(C)(C)C)c1 311713136 KHMIVRQOWSBHLG-CYBMUJFWSA-N 261.365 3.600 30 20 CHED C[C@@H](NC1CC(C(F)(F)F)C1)c1ccc(C#N)cc1 348680918 LABIFKUGDWVSNJ-UHEGKEBESA-N 268.282 3.550 30 20 CHED Cc1cc(C)c(C#N)c(NCC2CCC(F)(F)CC2)n1 336987750 IMVWIDKBTZYGKK-UHFFFAOYSA-N 279.334 3.808 30 20 CHED N#Cc1c(Br)cccc1N1CCC(CF)CC1 450685201 KYULIGYHSOVDER-UHFFFAOYSA-N 297.171 3.507 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC1C[C@@H](C)O[C@H](C)C1 657530987 VINBXOKCHJLSOB-KQTLUZQSSA-N 251.414 3.667 30 20 CHED Cc1nnc(Oc2cccc(Cl)c2C)c(C#N)c1C 702656565 ZEYZFLCNRFFJME-UHFFFAOYSA-N 273.723 3.719 30 20 CHED C#CCN(CC)C(=O)CCCSc1ccc(Cl)cc1 704292270 XSZRHXUUASBGCT-UHFFFAOYSA-N 295.835 3.694 30 20 CHED Cc1c(Cl)cccc1CN1CCC(C)(C#N)CC1 877182932 UWXJLTHRXVJFOM-UHFFFAOYSA-N 262.784 3.774 30 20 CHED CN(C(=O)c1cc2c(s1)CCCC2)c1cccc(C#N)c1 59095657 LFHPOEMBTBLHKN-UHFFFAOYSA-N 296.395 3.775 30 20 CHED N#Cc1ccc([C@@H](O)CN2CCC3(CCCCC3)CC2)cc1 170739805 WRNCCSJEFQETGP-SFHVURJKSA-N 298.430 3.638 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 175074819 HOINNJVAWPMZHY-HKUYNNGSSA-N 283.415 3.705 30 20 CHED CCSCC(=O)Nc1ccccc1SC[C@H](C)C#N 108413002 NIYCENSHVZBPMH-LLVKDONJSA-N 294.445 3.630 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1ccccc1C#N 25615966 KQAKCIGHKNNRCH-LHNRBYRGSA-N 290.366 3.791 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(N2CCCC2)c(F)c1 117002233 CVTLTUBYWMFCEO-GFCCVEGCSA-N 291.370 3.512 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1 105668540 UOHYGVKLYVFVCD-UHFFFAOYSA-N 285.253 3.703 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](C)CCC 109727412 KMTXGOOLYOXGKD-CQSZACIVSA-N 275.367 3.614 30 20 CHED CCCCCCCC(=O)NC1CCN(CC(C)C)CC1 119812297 JCSXKKLSAWJKON-UHFFFAOYSA-N 282.472 3.584 30 20 CHED COc1ccc([C@@H](C)CCNCc2cccc(C#N)c2)cc1 174507706 SYWDAVJKORMVIP-HNNXBMFYSA-N 294.398 3.850 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cccc(OC3CCCC3)c2)C1 179895559 KJHCXVFBUGDIEL-DYVFJYSZSA-N 299.370 3.857 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)/C=C/c2ccccc2C#N)C1 172703132 QYZGSMLGXVQHNT-UWLACMPISA-N 282.387 3.609 30 20 CHED CN(CCC#N)C(=O)CC1(CCc2ccccc2)CCCC1 112879931 OYQOCHWIENLOEY-UHFFFAOYSA-N 298.430 3.942 30 20 CHED N#Cc1csc(/C=C/C(=O)c2ccc(F)cc2F)c1 176840454 SXFXUDCQEYKQHZ-DUXPYHPUSA-N 275.279 3.794 30 20 CHED C=CCCCC(=O)NCc1ccc(N(CC)CC)cc1 175359097 VRWWKWQGKIBJCI-UHFFFAOYSA-N 274.408 3.505 30 20 CHED N#Cc1ccc(C(=O)N(CC(F)(F)F)C2CCCC2)cc1 177528449 POUIIPJNTREZLS-UHFFFAOYSA-N 296.292 3.505 30 20 CHED CC(C)N(C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 177714372 ROOLSAYMUXYCNP-GOSISDBHSA-N 280.371 3.507 30 20 CHED CC1(C)CCC(CNCc2ccc(C#N)s2)CC1 310730723 DPWGXQWCRGDTBP-UHFFFAOYSA-N 262.422 3.926 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 60132497 BGCJOUMLMPSIOR-HWKANZROSA-N 294.350 3.971 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCCc3ccccc32)C1 408005191 SAOKRMJLNOLVPD-DKSSEZFCSA-N 296.414 3.695 30 20 CHED C=CCCCC(=O)N(C)[C@H]1CCCc2nc(C)sc21 177845097 NMOFBTVGNPSAEX-ZDUSSCGKSA-N 278.421 3.644 30 20 CHED N#Cc1cccc(CN2CCC(Oc3ccccc3)CC2)c1 64793034 CUOSAEWIERMESX-UHFFFAOYSA-N 292.382 3.602 30 20 CHED CCCCCC[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C 173371355 QIYSNIKRTMKNAD-ZFWWWQNUSA-N 252.402 3.647 30 20 CHED CO[C@@H](CNc1cccc(F)c1C#N)c1ccc(F)cc1 301416874 FSGILWXUKAXYPL-INIZCTEOSA-N 288.297 3.636 30 20 CHED N#Cc1cc(F)ccc1NCCOC1CCCCCC1 301412548 YZJZDXJSDYKZFC-UHFFFAOYSA-N 276.355 3.849 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)N(C)CCC#N 176553646 KZOMWILAOSFRJT-UHFFFAOYSA-N 295.770 3.506 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)Cc2ccccc2F)c1 302096355 JHOCNCOYFSTEFJ-UHFFFAOYSA-N 282.318 3.536 30 20 CHED N#Cc1cccnc1N[C@@H](c1ccccc1)C1CCC1 301209810 UHHGAHIMOXIOER-INIZCTEOSA-N 263.344 3.907 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 22877685 RZBRRNNGWUFOPA-KRWDZBQOSA-N 276.339 3.536 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H]1C 1359141843 TYLHVRMJPJKSCX-CMPLNLGQSA-N 282.819 3.533 30 20 CHED N#Cc1c(F)cccc1N1CCOC2(CCCCCC2)C1 301651150 GOGKAPRPWNFCCS-UHFFFAOYSA-N 288.366 3.627 30 20 CHED N#Cc1c(F)cccc1OC[C@@H]1CCCC(F)(F)C1 305983614 LECDXGXTUIGKLV-SNVBAGLBSA-N 269.266 3.902 30 20 CHED CCCN(CCOC(C)(C)C)Cc1ccc(C#N)cc1 65950575 MWNUPZXRRSSNOS-UHFFFAOYSA-N 274.408 3.585 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@@H](C)C[C@H]1C 120195174 DPETWUPYJQMJSU-ZIAGYGMSSA-N 273.376 3.512 30 20 CHED C=CCC[C@@H](NCC[C@](C)(O)c1ccccc1)C1CC1 187918894 UDOBWMBAFLQDHL-MSOLQXFVSA-N 273.420 3.619 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccnc1)CCO2 122569961 WWGNFOZINAAMRD-GDNBJRDFSA-N 279.339 3.747 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(F)c(Cl)c1 125620110 MIKUCLKMJMNCGC-LLVKDONJSA-N 271.763 3.722 30 20 CHED C=CCc1cccc(C(C)C)c1NC(=O)N1CC(CF)C1 417037200 ICJHYRCJWPGGHW-UHFFFAOYSA-N 290.382 3.972 30 20 CHED CC(C)(C#N)CCCSC[C@@H]1C[C@H]2CC[C@H]1O2 419561543 JVSQSSXLLZUJGS-YNEHKIRRSA-N 253.411 3.617 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 75275390 OBFXQIGUGXKOAX-KGLIPLIRSA-N 272.392 3.808 30 20 CHED C[C@@H](N[C@@H](CO)CC1CCCCC1)c1cccc(C#N)c1 417365271 LXIULPYNNIYILM-RDTXWAMCSA-N 286.419 3.540 30 20 CHED Cc1cn2c(CNc3ccc(CC#N)cc3)c(C)nc2s1 37071507 IKPOVNDVRBVPAF-UHFFFAOYSA-N 296.399 3.691 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 412320359 VYAOWFGHTGDQGC-SOUVJXGZSA-N 277.795 3.914 30 20 CHED C#CCCCCC(=O)Nc1ccc(Cl)c(Cl)n1 188936259 SOVBNHAGHZDPMG-UHFFFAOYSA-N 271.147 3.521 30 20 CHED CC(C)(C#N)CC[S@](=O)[C@@H]1CCCc2ccccc21 123527882 FNOYLZXIFJAGOA-DNVCBOLYSA-N 275.417 3.753 30 20 CHED C=C(C)CN(C)C(=O)C(C)(C)c1ccccc1Cl 180424524 XVAOPLVPEPMQTO-UHFFFAOYSA-N 265.784 3.652 30 20 CHED COC(=O)c1cccc(CSCC2(C#N)CC2)c1Cl 419520630 MWKFBCVZVFNNAN-UHFFFAOYSA-N 295.791 3.664 30 20 CHED Cc1ccc([C@]2(C)CCN([C@@H](C)CCC#N)C2)cc1 411675034 OMDVELILXJRHLQ-DOTOQJQBSA-N 256.393 3.651 30 20 CHED C=C[C@@H](CC(=O)Nc1cnc(C2CC2)nc1)c1ccccc1 129097220 YOXYNRXAYFCGQK-ZDUSSCGKSA-N 293.370 3.652 30 20 CHED C[C@@H](SCCC#N)c1nc(Cc2ccc(F)cc2)no1 413009171 BOSBFICHEYAOEY-SNVBAGLBSA-N 291.351 3.507 30 20 CHED C=C(C)C[C@H](C)C(=O)NCc1cccc(OC(F)F)c1 185346500 RXMWOLAHMVRVBP-NSHDSACASA-N 283.318 3.507 30 20 CHED C=CCCCC(=O)Nc1cc(C)c(C(=O)OCC)s1 175595612 ZHOWIEPTJZWASX-UHFFFAOYSA-N 281.377 3.528 30 20 CHED CS[C@@H]1CCC[C@H](Nc2c(C#N)nnc3ccccc23)C1 77225473 CVAFAHYGTNUSNC-NWDGAFQWSA-N 298.415 3.588 30 20 CHED COC[C@@H](NCCCC(C)(C)C#N)c1ccc(F)c(F)c1 181416831 FWZBOCUYZDZDSB-OAHLLOKOSA-N 296.361 3.572 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1CCC1CCCC1 410241457 OCMMQUIOINHZCG-INIZCTEOSA-N 269.392 3.892 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@@H]1C[C@@H]2CC[C@@H]1C2 180205466 VKXLOLRHYNFDMY-KYEXWDHISA-N 256.349 3.578 30 20 CHED CCN(CC)CCCC1CCN(CCCCC#N)CC1 182759980 NRQBTFYYNWGDMF-UHFFFAOYSA-N 279.472 3.514 30 20 CHED N#Cc1cccc(NCc2ccc(OC(F)F)c(F)c2)c1 132874292 XORJWECTUGWRLK-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1cc(C)sc1C 185094750 QUEDPQAFENTMKW-LBPRGKRZSA-N 263.406 3.736 30 20 CHED CCOc1ccc(OC)cc1NCc1ccc(C#N)s1 130128171 QDIIIHVCWGAUFR-UHFFFAOYSA-N 288.372 3.639 30 20 CHED COc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)cc1C#N 134949119 PZUOWCUYOPHALL-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C[C@@H](CCC#N)N(C)CCCc1cc(-c2ccccc2)no1 411210021 DIBTTWVGTBTGEF-HNNXBMFYSA-N 297.402 3.898 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)Cc2cccs2)cc1 49904263 KNKAXSPAPUMBPJ-MRXNPFEDSA-N 298.411 3.576 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc2c1CCC2 195233624 NZTODMYKCYBYLX-UHFFFAOYSA-N 276.339 3.608 30 20 CHED N#Cc1c(N2CCC[C@@H]2c2cccs2)ncc2c1CCC2 425205442 WEKRQJFNGKVJTG-OAHLLOKOSA-N 295.411 3.845 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1coc2ccccc12 131169158 BVGFQPRFPJCVHT-UHFFFAOYSA-N 276.339 3.936 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C(/O)c1ocnc1C)CCC2 329262775 GHSLGDNUUYZHFR-CQSZACIVSA-N 270.332 3.674 30 20 CHED C=CCN(C(=O)C1(c2c(F)cccc2F)CCC1)C1CC1 421518747 VXCGBKUKKSZPBM-UHFFFAOYSA-N 291.341 3.564 30 20 CHED Cc1c(N[C@H]2CCC[C@@H](C#N)C2)cnn1C1CCCC1 193385767 WPLYMOUZIXOOMZ-KGLIPLIRSA-N 272.396 3.801 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H]2CCC[C@@H]21)c1ccccc1 428167466 QQTTUKIVLNDFLE-OIISXLGYSA-N 269.388 3.747 30 20 CHED CC[C@H](C(=O)Nc1ccccc1C#N)c1ccc(F)cc1 41336381 FDWBPLIGBGJTQR-HNNXBMFYSA-N 282.318 3.830 30 20 CHED C=C(Cl)COc1c(C(=O)O)ccc2ccccc12 42373558 VAHGOVQPXIQEJQ-UHFFFAOYSA-N 262.692 3.669 30 20 CHED C[C@]1(/N=C(/O)c2cncc(-c3ccccc3)c2)CCCOC1 329186304 QMFOPVKJLJAUTC-SFHVURJKSA-N 296.370 3.622 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(COC)cc1 195222859 DTIGBZVDEUVDHW-UHFFFAOYSA-N 297.354 3.650 30 20 CHED C[C@H](CCc1ccc(O)cc1)N[C@H](C)c1ccc(C#N)cc1 192755439 ZAOVDYXCLYTFID-HUUCEWRRSA-N 294.398 3.936 30 20 CHED N#CCc1ccc(CSCc2nc(C(F)F)no2)cc1 424149051 GKYSRGGPEQAMIF-UHFFFAOYSA-N 295.314 3.507 30 20 CHED CCC[C@@H]1C[C@H]1/N=C(/O)Nc1scnc1C1CC1 328916854 KJYWBBIHICSUFZ-NXEZZACHSA-N 265.382 3.535 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(C#N)cc2)cc1 45247199 BUEFDQCVTPRMTA-CQSZACIVSA-N 278.355 3.700 30 20 CHED Cc1ccc(CCNc2ccc(Cl)cc2C#N)cn1 80981837 UUGZKSGMKLWKBV-UHFFFAOYSA-N 271.751 3.570 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc2nccnc12 329684201 UBWYFCSBFIUOMH-BFHYXJOUSA-N 295.386 3.903 30 20 CHED C=CCCCNC1(c2ccc(Br)cc2)CC1 381683846 YJSMLRCIJWJONE-UHFFFAOYSA-N 280.209 3.994 30 20 CHED N#CC1(C(=O)Nc2cccc3cccnc23)CCCCC1 44385616 GGLSWQTVKCOMKG-UHFFFAOYSA-N 279.343 3.647 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1nc(C)c(C)s1 88587057 XXFKAXHWAHHNGG-UHFFFAOYSA-N 297.427 3.820 30 20 CHED C=CCCc1noc(-c2cnc3onc(C(C)(C)C)c3c2)n1 516397957 HCFPSSLDTZAZLA-UHFFFAOYSA-N 298.346 3.689 30 20 CHED C=CCSCCNC(=O)C1(c2ccccc2)CCCC1 194485080 BMFYYTVRTDJBOD-UHFFFAOYSA-N 289.444 3.534 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)c3ccccc3n2)c1 195629384 VTWGPHPQLDDQMS-UHFFFAOYSA-N 286.334 3.777 30 20 CHED CC(C)CN(C)C(O)=Nc1ccc(OC2CCCC2)nc1 330460648 RKNJUTSEMQRHBI-UHFFFAOYSA-N 291.395 3.536 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1nc(C(C)(C)C)cs1 424643029 FHGFREUNKJWUBN-UHFFFAOYSA-N 294.464 3.702 30 20 CHED C[C@@H]1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 331074034 KNXMPJFGMOCWQR-ZIAGYGMSSA-N 284.403 3.654 30 20 CHED N#Cc1cc(NCc2ccc3cnccc3c2)ccc1F 236195119 BZVBOCFEYKGYSK-UHFFFAOYSA-N 277.302 3.858 30 20 CHED N#CCN(Cc1cc(-c2ccccc2)cs1)C1CC1 511929140 XQZMJVWYHXJXEL-UHFFFAOYSA-N 268.385 3.903 30 20 CHED C[C@H]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 237557219 BNKUNGFEHVVLKB-SWLSCSKDSA-N 281.321 3.835 30 20 CHED CC(C)Nc1ccc(/C(O)=N/C2CCC(F)(F)CC2)cn1 330506358 LNQGEBSNFMIBCJ-UHFFFAOYSA-N 297.349 3.784 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](CC)c1ccccc1 424564965 QEHWZKZACBRGFE-AWEZNQCLSA-N 259.393 3.899 30 20 CHED C=CC[C@@H](C)N[C@@H](C)CCc1c(F)cccc1F 510724591 YSEOGIWDCQZACP-NEPJUHHUSA-N 253.336 3.840 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc3c(c2)CCCC3)CC12CCCC2 333108871 RRCXAMJLJONLNI-LJQANCHMSA-N 294.398 3.978 30 20 CHED CC(C)[C@H]1CN(C(=O)NCC(C)(C)C#N)c2ccccc21 512911144 CJNIUROQMHQOAH-CQSZACIVSA-N 285.391 3.506 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC[C@H]1CC[C@H](C)O1 439260943 RHCWPTUEFLIOKU-DOTOQJQBSA-N 293.451 3.929 30 20 CHED CC1(C(=O)Nc2ccc(CC#N)cc2Cl)CCCC1 334643284 AWFBUTAWBKEXFW-UHFFFAOYSA-N 276.767 3.925 30 20 CHED Cc1sc(NC(=O)c2cccc(CC#N)c2)c(C#N)c1C 334366999 QTGBCIYNEVTPJW-UHFFFAOYSA-N 295.367 3.555 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccncc1 90665165 WJUXFTAAYJVSLA-WMLDXEAASA-N 265.360 3.777 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C1CCCCC1 432262409 MUPXOZIPQDSJEJ-ZDUSSCGKSA-N 285.391 3.957 30 20 CHED N#Cc1cnccc1/C=C\c1ccccc1Br 347454483 WFXJSTLTYLKWNH-WAYWQWQTSA-N 285.144 3.886 30 20 CHED C=CCC[C@H](C)Nc1ccc(C(=O)NCC(C)C)cc1 437144043 SVQRTNBRULIKKY-AWEZNQCLSA-N 274.408 3.839 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(-c2ccncc2)cc1 343588583 UHLIZXCROLLNOW-CQSZACIVSA-N 277.371 3.703 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(F)cc1Cl 349115947 YHJIIAZANAUYGN-OWOJBTEDSA-N 258.683 3.916 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 182318987 FHDMJPNRNVOFSY-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCCC[C@H]2CCC)CC1 521167509 QSEGCMASHHWIDC-HZPDHXFCSA-N 278.440 3.953 30 20 CHED CCc1nc([C@@H](C)Nc2ccc(C#N)cc2)cs1 347265715 BFNHRXPRJDRGTB-SNVBAGLBSA-N 257.362 3.750 30 20 CHED Cc1ncc([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)s1 601297493 AQWKJBIJAJELAH-UWVGGRQHSA-N 289.379 3.874 30 20 CHED C=CCCc1nc(C23CC4CC(CC(C4)C2)C3)no1 521023362 BIZHQAPJMNTXHH-UHFFFAOYSA-N 258.365 3.656 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(F)c1 432486320 UEWAQIKSWLDKJK-UHFFFAOYSA-N 250.317 3.550 30 20 CHED CCc1ccc(CC(=O)Nc2ccc(C#N)cc2Cl)cc1 430349049 CSFMECVZNMSPHY-UHFFFAOYSA-N 298.773 3.955 30 20 CHED Cc1ccoc1C(=O)/C=C\c1c(Cl)nc2ccccn12 255165637 NJMGOBSNPJPKLX-WAYWQWQTSA-N 286.718 3.785 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@@H](C(C)C)C1 435729586 DNECFVOGWXYZCJ-VQHPVUNQSA-N 265.441 3.772 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2ccc(Cl)s2)no1 347122692 WNUXEKJEUZPFER-UHFFFAOYSA-N 291.719 3.892 30 20 CHED CC[C@H](C)[C@@H](C)N(CCOc1ccc(C#N)cc1)C1CC1 609204233 BJUAMXGSJGWVJN-LSDHHAIUSA-N 286.419 3.836 30 20 CHED COc1ccccc1CSc1nc(C)ccc1C#N 342420006 XHXMAJDEQJUXSE-UHFFFAOYSA-N 270.357 3.563 30 20 CHED C=CCOCCCN(C)[C@@H](C)c1cc(F)ccc1F 347972385 PTYHUPBPGOKWAE-LBPRGKRZSA-N 269.335 3.550 30 20 CHED C=CCC[C@@H](C(=O)N1CCO[C@H]2CCC[C@H]21)c1ccccc1 431266079 YXZLMXVTPCPJFO-KURKYZTESA-N 299.414 3.516 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1ccccc1[N+](=O)[O-] 252462949 XQRQJCBAJUIKDH-UHFFFAOYSA-N 294.314 3.831 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 526001097 DXQAOKSPFQDWJY-OAHLLOKOSA-N 298.336 3.826 30 20 CHED CCCOc1ccc(CNc2nccc(C)c2C#N)cc1 343515651 QPNAMSUKZFOVRB-UHFFFAOYSA-N 281.359 3.663 30 20 CHED CCCN(CC#N)CCCOc1ccc2ccccc2c1 609039891 QKYZOOSNUZQIEP-UHFFFAOYSA-N 282.387 3.844 30 20 CHED C=CCCCCNC(=O)N[C@@H](CC(F)(F)F)C(C)C 446643789 WQTNLGKURMAXCS-NSHDSACASA-N 280.334 3.619 30 20 CHED C#CC[C@@H](OC(=O)/C=C\c1ccc2ccccc2n1)C1CC1 255426982 MEVKIMUNRYWKTG-MENFKHAKSA-N 291.350 3.593 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCn1c(C)nc2ccccc21 355771024 VPVKZEFJLMCTEQ-CQSZACIVSA-N 299.418 3.596 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(C[S@](C)=O)cc1 353815344 DGERTOHUEBUCIO-XLIONFOSSA-N 293.476 3.790 30 20 CHED C=CCOCCCSc1ncccc1Br 356048415 WFHOZHMRVXEWLW-UHFFFAOYSA-N 288.210 3.529 30 20 CHED CCn1ncc2ccc(NCc3ccc(C#N)c(C)c3)cc21 443982251 AWAKNQXCFZOBDM-UHFFFAOYSA-N 290.370 3.848 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)s1 255495437 JEIKEHCIKWZSNC-DJWKRKHSSA-N 289.743 3.875 30 20 CHED N#Cc1cc(Cl)ccc1S[C@H]1CC[C@H](C#N)C1 601912141 JDJQAHQQMQSSAJ-CABZTGNLSA-N 262.765 3.996 30 20 CHED Cc1cccc([C@H](C)CNC(=O)c2ccc(CC#N)cc2)c1 534671791 AJZRLWXSXXJYPD-OAHLLOKOSA-N 292.382 3.595 30 20 CHED CC1(C)C[C@@H](N[C@H](CCC#N)c2ccccc2)CCO1 601964394 PPYCVUZHVLHXSS-JKSUJKDBSA-N 272.392 3.579 30 20 CHED CCC(CC)Oc1ccc(C(=O)N[C@H](C#N)C(C)C)cc1 449859084 VOFKNFIEHWDUBF-MRXNPFEDSA-N 288.391 3.532 30 20 CHED C=C1CCN(C(=O)CCCc2cc(C)sc2C)CC1 267820678 WXYSDCRHSYVDKT-UHFFFAOYSA-N 277.433 3.866 30 20 CHED Cc1cccc2oc(CCNCC(C)(C)CCC#N)nc12 266301408 MSEOAGWLUKNHSB-UHFFFAOYSA-N 285.391 3.598 30 20 CHED C=CCSCCN[C@@H](CC)c1cc(C)ccc1OC 358023762 KTIMDAQLCOJICM-HNNXBMFYSA-N 279.449 3.964 30 20 CHED CC[C@H](C)CN(C)c1c(C#N)cnc2c(F)cc(F)cc12 352314591 KMYUFXUZWASVLB-JTQLQIEISA-N 289.329 3.867 30 20 CHED C[C@H](c1cccc2ccccc12)N1CC[C@](F)(C#N)C1 615638297 GNMQZHNMFQAFDN-DYVFJYSZSA-N 268.335 3.838 30 20 CHED COCc1ccc(NCC2CCC(F)(F)CC2)cc1C#N 530121484 ZAXZTZKYMPEJMV-UHFFFAOYSA-N 294.345 3.942 30 20 CHED CC(C)(C)C[C@H](N[C@H]1CC[C@@H](C#N)C1)C(F)(F)F 442831467 WIAUWGFLMCZYDB-VWYCJHECSA-N 262.319 3.635 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(C#N)c1 611555034 JZWXDROLLNHPQS-BXUZGUMPSA-N 282.309 3.721 30 20 CHED C[C@@H](CC#N)NCc1sc2ccccc2c1Cl 612584319 AKOQGOZHGIPZKN-VIFPVBQESA-N 264.781 3.946 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(C)c1ccc(C#N)cc1 533502062 QSIRYXBKMSAPEN-HIFRSBDPSA-N 270.376 3.737 30 20 CHED CC[C@@H](C(=O)N(CC)CC#N)c1cccc(C(F)(F)F)c1 267626680 MOUFWDBMILWETL-CYBMUJFWSA-N 298.308 3.571 30 20 CHED C[C@@H](c1ccc(F)cc1F)N1CCC[C@@](C)(C#N)C1 612164749 HTRLJTHWKTYYDI-NHYWBVRUSA-N 264.319 3.651 30 20 CHED CCN(C(=O)[C@H](C)C1CCCC1)c1ccc(C#N)cc1 611073603 NVPGNEIIIMGLEK-CYBMUJFWSA-N 270.376 3.737 30 20 CHED Cc1ccc(OC[C@@H](C#N)CCC#N)c2ccccc12 453046911 YSGNCABVRHEKNL-CQSZACIVSA-N 264.328 3.971 30 20 CHED C=CCN(C(=O)CC/C=C/c1ccccc1)[C@H](C)COC 617579646 IORADYCZFOVYTI-OQRGYWNNSA-N 287.403 3.530 30 20 CHED C=C[C@@](C)(CC)c1nc(CC2CC(F)(F)C2)no1 453367794 RUUKRUXIRHJPIB-LBPRGKRZSA-N 256.296 3.511 30 20 CHED C=CC(C)(C)CNC(=O)c1sc(C(C)(C)C)nc1C 452779698 VESBEKXPTXVVFL-UHFFFAOYSA-N 280.437 3.691 30 20 CHED CC(C)(CC#N)CNC(=O)NCc1cccc2ccccc12 458061367 MAPLNJIMPNTWRH-UHFFFAOYSA-N 295.386 3.579 30 20 CHED N#CC1(c2nc([C@@H]3CCc4ccccc4C3)no2)CCCC1 612951704 KYJLNBFYKYJCSW-OAHLLOKOSA-N 293.370 3.677 30 20 CHED C=CCN(C)C(=O)C(C)(C)Cc1ccc(Cl)cc1 457740736 JXGOIDWUKLRKRX-UHFFFAOYSA-N 265.784 3.553 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1 612135109 OJPRNKCORZSXPS-CKEIUWERSA-N 291.439 3.536 30 20 CHED C=C[C@H](CC(=O)NCC[C@@H](C)CC)c1ccccc1 617638266 KCWXFDZRRYJHKH-LSDHHAIUSA-N 259.393 3.899 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1c1ccc(F)c(F)c1 364424617 QZRVWCLDPSQMNY-OAHLLOKOSA-N 285.297 3.573 30 20 CHED C=CCCCC(=O)N1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C 541005773 CQWDVVVGWHQLKE-KBPBESRZSA-N 287.403 3.886 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 544444438 FJSAYACSJVPORI-ZETOZRRWSA-N 290.794 3.766 30 20 CHED C=CCC1(CNC(=O)c2ccc(C(C)=O)s2)CCCC1 456484155 INQPZGAXTGWISU-UHFFFAOYSA-N 291.416 3.817 30 20 CHED C[C@@H]1CC[C@@H](C(=O)NCC(C)(C)CCC#N)C[C@H]1C 451781416 XNTHPSBWZCKTLU-MGPQQGTHSA-N 264.413 3.505 30 20 CHED N#CC1(CN(C2CC2)[C@@H]2CCc3ccccc32)CCC1 450517915 GZPJGNADELQWMW-QGZVFWFLSA-N 266.388 3.832 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](C)c1sc(CC)nc1C 455304075 BRMISCOQBADJAM-LBPRGKRZSA-N 295.452 3.683 30 20 CHED C=C[C@H](CC(=O)N1CC2(CCCC2)C1)c1ccccc1 366681026 NYLIAQJXGFFVTC-OAHLLOKOSA-N 269.388 3.749 30 20 CHED C=CCC(CC=C)C(=O)NC1CCC2(CCOCC2)CC1 360900685 OUPOIIXSFIISFW-UHFFFAOYSA-N 291.435 3.610 30 20 CHED C=CCCc1noc([C@@H](C)Oc2cccc(C)c2)n1 453249589 VFPPXMFPRNHWSS-GFCCVEGCSA-N 258.321 3.637 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1OCC(C)C 276296563 KREYPZBXAMEVDQ-UHFFFAOYSA-N 276.380 3.761 30 20 CHED CC(C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 541901317 WURDWWIPERLMQQ-QWRGUYRKSA-N 297.185 3.515 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(F)c1 362464336 JWGMLHSFMPIDBS-LLVKDONJSA-N 266.291 3.537 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1c(Cl)cccc1OC 545352581 CWQMAIGDXXMDED-NSHDSACASA-N 296.798 3.503 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(C)cc2OC)no1 278790403 UYZODLLIFVELQM-LBPRGKRZSA-N 288.347 3.707 30 20 CHED CC(C)C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 464707889 FJIIMTNYPNQQNY-JKSUJKDBSA-N 286.419 3.871 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1N1CCCCC1 276314791 NQTTXVGYIQIZCJ-UHFFFAOYSA-N 287.407 3.717 30 20 CHED CC[C@@H](N[C@@H](C)c1cccnc1)c1ccc(C#N)cc1 278256013 NDILOBFCWAQVTH-SUMWQHHRSA-N 265.360 3.755 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cc(F)ccc1SC 468016655 MJUDCLCIVAABIP-HNNXBMFYSA-N 281.396 3.766 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(F)c(F)cc1Cl 281430285 QOYJYQLDUTVYGD-MRVPVSSYSA-N 273.710 3.703 30 20 CHED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(C#N)ccc1Cl 285580995 KXCRCGWGMNYIGV-QWRGUYRKSA-N 276.767 3.615 30 20 CHED Cc1cc([C@H](NC[C@H](C#N)CCC#N)C2CC2)ccc1F 553284229 OKYHHLPFTZWOKG-SUMWQHHRSA-N 285.366 3.618 30 20 CHED C=CCCCC(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O 372743575 DIYUXCVKYCSXBH-HZPDHXFCSA-N 291.435 3.873 30 20 CHED Cc1nc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c(Cl)cc1C#N 461942859 QIYWIFKYGKSYIR-XEGUGMAKSA-N 289.810 3.930 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)[C@H](C)c1cccc(C#N)c1 462015310 KZJQZRZEXBTLMO-PBHICJAKSA-N 284.403 3.699 30 20 CHED C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NCCCCC#N)C1 287380188 LHVBXTBVXFAUMO-NVXWUHKLSA-N 299.418 3.863 30 20 CHED C=CC[C@H](CC)NC/C=C\c1ccc(F)cc1F 466387133 TUKLPZANDMWROK-VSKVDJIOSA-N 251.320 3.922 30 20 CHED C=C(C)CCc1noc(-c2cc(C(C)=O)cs2)n1 285012165 DUTLPRVCGLDUQJ-UHFFFAOYSA-N 262.334 3.509 30 20 CHED CN(Cc1c(F)cccc1Cl)[C@@H]1CC[C@H](C#N)C1 284293120 ODWCFKXCSMOAAB-WDEREUQCSA-N 266.747 3.603 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](CO)c1cccc(Cl)c1F 467415132 AHSNBDPCWAREOK-WDMOLILDSA-N 285.790 3.703 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C)cc1 280916297 SSCCBIUYFVVWJB-XIRDDKMYSA-N 259.393 3.627 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C 465136858 RBAMQPHLUVROML-GXTWGEPZSA-N 260.381 3.648 30 20 CHED C=CCN(C(=O)Nc1nc(C2CCC2)cs1)C1CC1 282941783 GWLNEDIDSJDMPF-UHFFFAOYSA-N 277.393 3.593 30 20 CHED Cc1ccccc1NC1CCN(c2ccc(C#N)cc2)CC1 552064173 ZSCRVZZZHZXEPJ-UHFFFAOYSA-N 291.398 3.948 30 20 CHED C=CCC(F)(F)c1nc(-c2ccccc2COCC)no1 550962025 BJGOWGSBWXWPPH-UHFFFAOYSA-N 294.301 3.941 30 20 CHED CCN(C)c1ccc(/C=C2\C(=O)c3ccccc3[C@H]2C)cn1 809159706 VEIYJKIPPNPDJG-GPLLRDDGSA-N 292.382 3.921 30 20 CHED C=C(Cl)CN(C)[C@H](CC)c1cccc(OC)c1 808761295 LGJODHJZBRVJKJ-CQSZACIVSA-N 253.773 3.831 30 20 CHED C=CCN(C(=O)c1oc(C(C)C)nc1C)c1ccccc1 297765384 IHBDWQSSWSLQQI-UHFFFAOYSA-N 284.359 3.939 30 20 CHED C#CCCCCCC(=O)Nc1ccc(F)c(C(C)=O)c1 803449747 LXTRJZBNGICSRJ-UHFFFAOYSA-N 275.323 3.551 30 20 CHED CCC(CC)(NCCO[C@H](C)C#N)c1ccc(Cl)cc1 801932274 XTPKLPPSXWNCGF-CYBMUJFWSA-N 294.826 3.874 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 475698225 NTLNDSLTEOVRCU-DCAQKATOSA-N 297.185 3.515 30 20 CHED C=C(Cl)COC(=O)Cc1csc(-c2ccccc2)n1 809647213 ODQLBODTMFYUHN-UHFFFAOYSA-N 293.775 3.648 30 20 CHED CC[C@H](N[C@H]1CCC[C@H](F)C1)c1ccc(C#N)cc1 567047979 DOXLEHLZBIJHLA-JYJNAYRXSA-N 260.356 3.880 30 20 CHED CC[C@H](N[C@H](C)CN1CCC[C@H](C)C1)c1ccc(C#N)cc1 564162621 ADPUQHITRZQJKD-FCEWJHQRSA-N 299.462 3.719 30 20 CHED C[C@H](O)C[C@H](CNc1ccc(C#N)cc1F)c1ccccc1 562239946 IIHVDPCQHLSZFA-XJKSGUPXSA-N 298.361 3.664 30 20 CHED C[C@]12CCN(c3ccc(F)cc3C#N)C[C@H]1C2(Cl)Cl 804704155 DSOZNFZXGDYUET-OLZOCXBDSA-N 299.176 3.717 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 809257098 AOJUBHHPLFBXQO-DBTPVHCXSA-N 270.376 3.676 30 20 CHED Fc1ccc(NN=Cc2c[nH]c(C(F)(F)F)c2)c(F)c1 807942692 DBIWFBKQUUFYKJ-UHFFFAOYSA-N 289.207 3.758 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCc1cc(C#N)ccc1F 560906799 HQVLTUVFYFPOIV-VXGBXAGGSA-N 260.356 3.612 30 20 CHED CC[C@@H](CC#N)NCc1csc(CCC(C)C)n1 566429137 QCRFQCZVGVKPHG-LBPRGKRZSA-N 265.426 3.514 30 20 CHED CN(Cc1cccc(Br)c1)[C@H]1CC[C@@H](C#N)C1 293374685 FXZYBORXHNSNDF-RISCZKNCSA-N 293.208 3.573 30 20 CHED C[C@H](NC(=O)NCC1(C)CCCCC1)c1ccc(C#N)cc1 566705816 FBZBUUAGQQPREK-AWEZNQCLSA-N 299.418 3.889 30 20 CHED C#Cc1cccc(NC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1 296349231 NAQCDZLXGHRWNB-JKSUJKDBSA-N 282.387 3.710 30 20 CHED C=CCCCCCCNC(=O)c1ccc(COC)cc1 805219688 RZLMBISCPLDBOM-UHFFFAOYSA-N 275.392 3.699 30 20 CHED CCN(CC)c1ccc(CNc2cc(C#N)ccn2)cc1F 804443032 AYQUONXSYRHJLX-UHFFFAOYSA-N 298.365 3.551 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)[C@H](O)c1ccccc1 808721428 MJPZMODUZBPCON-XIRDDKMYSA-N 261.409 3.833 30 20 CHED C=CCn1c(C)nnc1N1CCCC[C@H]1c1ccccc1 290143998 HOUYREKXBGTEEG-INIZCTEOSA-N 282.391 3.504 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(C(F)(F)F)cc1 567772124 WMVMJHJGWQQXBY-JTQLQIEISA-N 291.276 3.567 30 20 CHED CC(C)[C@H]1N(C(=O)c2ccc(C#N)c(Cl)c2)CC1(C)C 562259013 UNGZCBDOOLJIIJ-CQSZACIVSA-N 290.794 3.718 30 20 CHED C[C@@H](C=NNc1nncc2ccccc12)C(C)(C)C 800804819 JGVUHSRMAJCNSV-NSHDSACASA-N 256.353 3.710 30 20 CHED C=CCn1c(N2CCCCCCC2)nnc1C(C)(C)C 809920142 SLMYDDQDKDPWIK-UHFFFAOYSA-N 276.428 3.532 30 20 CHED C=CCN(CCn1nc(C)cc1C)CC1CCCCC1 484662410 GKDHJBUJDDKDRU-UHFFFAOYSA-N 275.440 3.568 30 20 CHED C#CCSc1nc(-c2ccco2)nc2ccccc12 811807062 ODLHRVXERAMAMJ-UHFFFAOYSA-N 266.325 3.615 30 20 CHED C=CCCCCOC(=O)/C=C/c1ccc(Cl)nc1 811013688 GGDAUTCDCGXZBZ-VQHVLOKHSA-N 265.740 3.648 30 20 CHED Brc1ccc2c(c1)OCCC2=NOC1CCC1 812237848 FWNNNQSGMSVMEL-UHFFFAOYSA-N 296.164 3.505 30 20 CHED Cc1c(C=NNC[C@H](C)C#N)sc2c(Cl)cccc12 814880772 DQEFJUQBWYUXON-SECBINFHSA-N 291.807 3.946 30 20 CHED CC(C)c1ccc(C(=O)OCc2cc(C#N)ccc2F)nc1 810607695 XCRDBTFSJQDBJA-UHFFFAOYSA-N 298.317 3.573 30 20 CHED CC#CCCNC(=O)N1CCCC2(CCCCCC2)C1 483429524 RZAIFBJJURELOM-UHFFFAOYSA-N 276.424 3.546 30 20 CHED C[C@H]1SCCC1=NNc1ccc(Cl)cc1[N+](=O)[O-] 814809774 MQHRTGQWSFDSPA-SSDOTTSWSA-N 285.756 3.542 30 20 CHED Cc1ccccc1[C@H]1CCN(c2ccc(C#N)c(C)n2)C1 488131721 ZKZVQIFTGAWTOE-INIZCTEOSA-N 277.371 3.564 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCCC(C)(C)CO 657886298 DRYZXALOXIHANH-CABCVRRESA-N 253.430 3.510 30 20 CHED C#C[C@H](NC(=O)c1ccoc1CC)c1ccc(Cl)cc1 811949426 XBBLDPZCEHMRLI-AWEZNQCLSA-N 287.746 3.600 30 20 CHED C=CCCC(C)(C)NCc1ccc(O[C@@H](C)COC)cc1 657806303 KNRSTXHEFOWZLW-HNNXBMFYSA-N 291.435 3.935 30 20 CHED CC(CCCCCCC(=O)O)=NOC1CCCC1 814895443 XIZIDTOTIYGALE-UHFFFAOYSA-N 255.358 3.747 30 20 CHED C=C(C)CNC(=O)Nc1cnn(C(CC)CC)c1CC 485170719 AHWAJCOEVQXJEO-UHFFFAOYSA-N 278.400 3.504 30 20 CHED CO[C@](C)(C=NNc1ccc(Cl)cc1)C1CC1 814683684 LQLQYKXJNLEXTJ-CYBMUJFWSA-N 252.745 3.553 30 20 CHED C=C(C)[C@@H](N[C@@H](COC)C(C)C)c1ccc(F)c(F)c1 480664557 DQZWJXZMPYZMJE-JKSUJKDBSA-N 283.362 3.843 30 20 CHED C=CCCC(=O)OCC(=O)Nc1ccc([C@H](C)CC)cc1 726652204 MXWZRQHXDNNHBC-CYBMUJFWSA-N 289.375 3.648 30 20 CHED N#Cc1ccc(OCCNc2ccccc2Cl)cc1 484493629 ZCOVVIJTYGWECF-UHFFFAOYSA-N 272.735 3.703 30 20 CHED C=CCOCCN[C@H](C)c1csc2ccccc12 815088344 FDRMMIRTCZGZFE-GFCCVEGCSA-N 261.390 3.755 30 20 CHED C(/C=C/c1ccco1)=NNCCCc1ccccc1 729144887 BNWPBNOSNVMQLV-BOEBPHRNSA-N 254.333 3.501 30 20 CHED Oc1cc(C=NOC/C=C\Cl)cc(C(F)(F)F)c1 811670046 XMOOIEAOXYRLNY-RTDHGNNNSA-N 279.645 3.514 30 20 CHED CCN(C[C@@H](O)CCC(C)C)[C@@H](C)c1ccc(C#N)cc1 482673315 RABXSCKGHLVFPK-YJBOKZPZSA-N 288.435 3.738 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)NC1CCC2(CCCCC2)CC1 570642705 RCPVHMWVQDBARO-GUYCJALGSA-N 274.408 3.545 30 20 CHED C=CCC1(C(=O)Nc2ccc3nc(O)[nH]c3c2)CCCCC1 822254841 FDRMIQFZEBYBTJ-UHFFFAOYSA-N 299.374 3.734 30 20 CHED C=C(Br)CN[C@@H](C)Cc1coc2ccccc12 823818774 SBFNPFFRAOGQSI-NSHDSACASA-N 294.192 3.862 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 822406331 INQPBLNPJVMUHG-MAUKXSAKSA-N 299.414 3.739 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H](O)c1cccc2ccccc12 825018493 PHIBGRAROLVKST-KDOFPFPSSA-N 297.398 3.592 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@H]1c1ccccc1 498791819 GSPMSVHKOUDQSH-SFHVURJKSA-N 292.382 3.774 30 20 CHED CSCCCCCNC(=O)Nc1scc(C)c1C#N 571653434 IGJMKHZGLQWNHB-UHFFFAOYSA-N 297.449 3.583 30 20 CHED C#C[C@@H](C)N(C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 491731669 JABIGJPDGRFCTN-LLVKDONJSA-N 288.778 3.757 30 20 CHED N#CCCCCN1CCC[C@H]1COc1ccc(Cl)cc1 726596400 KJQAHAPFBFJHCB-HNNXBMFYSA-N 292.810 3.877 30 20 CHED CC(C)C#CC(=O)NCc1ccc(OC2CCCCC2)cc1 825108079 PDMVCARQGKCTDN-UHFFFAOYSA-N 299.414 3.674 30 20 CHED C#C[C@@H](NCc1cnccc1C)c1ccc(Cl)cc1F 491744102 SFEKTXOLOILPDR-MRXNPFEDSA-N 288.753 3.647 30 20 CHED N#Cc1nccnc1N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 580695760 ACJFFQWESDONJY-OCCSQVGLSA-N 298.777 3.750 30 20 CHED C=CC(C)(C)CCCN[C@H](C)CC(C)(C)CC(=O)O 902280857 IYDUOZUDUNPQPR-CYBMUJFWSA-N 269.429 3.848 30 20 CHED CC#CC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 801136420 GYOQYFNKAXJDPA-CYBMUJFWSA-N 297.329 3.819 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)CCCC(F)(F)F 495118490 IDHWVCXLLDVVKH-LLVKDONJSA-N 277.330 3.992 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)c1C 731155996 XXCXKTFGYKQDOT-VURMDHGXSA-N 294.350 3.971 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1ccc(F)cc1F 901122365 AOZGKRUKRABDPM-UHFFFAOYSA-N 292.333 3.805 30 20 CHED C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H]2CCCC[C@H]12 733610167 OOZUXKMTMAZJMJ-ATZDWAIDSA-N 298.430 3.990 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@H](C)C(C)(C)C1 581382255 DUWRMCWJAHCBJA-ZDUSSCGKSA-N 288.439 3.604 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 494887807 VVVZDZYXRLJRGV-UHFFFAOYSA-N 277.126 3.782 30 20 CHED C[C@@H]1CCC[C@@H](N2CCC(=NNC3CCCC3)CC2)C1 733747312 JDXAKHDGTFIQMR-RHSMWYFYSA-N 277.456 3.549 30 20 CHED CN1Cc2cc(OCCCCC3(C#N)CCC3)ccc2C1=O 902727593 XNTGUEWGQRNUQW-UHFFFAOYSA-N 298.386 3.515 30 20 CHED O=C(Cc1cccc(C2CC2)c1)N(O)Cc1ccc(F)cc1 901372587 IJEARTJLWZALMF-UHFFFAOYSA-N 299.345 3.664 30 20 CHED C=CCCNC(=O)N(CC)C[C@H](CC)c1ccccc1 661570091 IPCQCYMSXGTWDL-HNNXBMFYSA-N 274.408 3.788 30 20 CHED C=C(Br)CNCc1ccc(CC(C)C)cc1 168214954 SGBKSXGADLGRRM-UHFFFAOYSA-N 282.225 3.883 30 20 CHED COc1ccccc1C(C)(C)CNc1cc(C)nc(C#N)c1 587553622 UZPZDOYUQYTVFT-UHFFFAOYSA-N 295.386 3.660 30 20 CHED C=CC[S@](=O)[C@@H](C)c1ccc(C(C)(C)C)cc1 905198666 GPXQUECNMVOTPI-SJCJKPOMSA-N 250.407 3.980 30 20 CHED CON=Cc1ccc(C(=O)N[C@@H](C)CCC(C)(C)C)cc1 736259763 WBCBIFWSORGPKJ-ZDUSSCGKSA-N 290.407 3.612 30 20 CHED CN(CCc1ccccc1F)c1ccc(C#N)cc1F 731663837 BTBXLZAHVNFQIL-UHFFFAOYSA-N 272.298 3.515 30 20 CHED CCCCCCCCC(=O)Nc1ccnn1CC 834684660 XBQSUFTZCBDQLM-UHFFFAOYSA-N 251.374 3.592 30 20 CHED CC(C)(C)C#CC(=O)NCCc1cc2ccccc2s1 837673356 LXPWVRSCSNJHQA-UHFFFAOYSA-N 285.412 3.610 30 20 CHED Cc1cc(Oc2ncnc3c2CCCC3)c(C)c(C)c1C#N 588081872 IAQSWDJJFANCGP-UHFFFAOYSA-N 293.370 3.945 30 20 CHED C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@H](C)CC#N)cc3c2C1 733708326 SWHHIASWPIJIDG-NWDGAFQWSA-N 296.370 3.752 30 20 CHED N#CC1(CCCCOc2ccc(C=O)cc2)CCC1 901376468 FMOKGRGDWGAILQ-UHFFFAOYSA-N 257.333 3.742 30 20 CHED Fc1ccc2[nH]cc(C=NNc3ccccc3)c2c1 747040067 HPVUPGBOVGKJFC-UHFFFAOYSA-N 253.280 3.753 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1oc2ccccc2c1C 917555612 SQCGIDJINYWFBI-UHFFFAOYSA-N 294.314 3.745 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccccc1C(=O)O 747755982 ZFERXOZXBHDPOM-LLVKDONJSA-N 260.337 3.609 30 20 CHED Cc1ccc2ccnc(N3CCC[C@](C)(C#N)C3)c2c1 591930639 PRESBSMYZIGYDN-QGZVFWFLSA-N 265.360 3.673 30 20 CHED CCN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@H](C)C#N 598353538 KZGBBEWUDBYGGS-CQSZACIVSA-N 296.370 3.640 30 20 CHED Cc1ccc(C#N)nc1N1C[C@@H](c2ccccc2)C[C@@H]1C 596130252 ZGQNTEMDOAAVAI-HOCLYGCPSA-N 277.371 3.644 30 20 CHED Cc1ccc(NC(=S)NN=Cc2cccs2)c(C)c1 915912020 NCKHMSWOBHDNOH-UHFFFAOYSA-N 289.429 3.685 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@H]2C[C@@H]21 672135854 LCSQNHSEMODEGI-JSGCOSHPSA-N 273.401 3.589 30 20 CHED CC(C)CON=CC(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1 749635989 CCOLFHWXBQVURQ-OAHLLOKOSA-N 292.379 3.732 30 20 CHED Cc1ccc2c(C=NNc3cccc(C#N)c3)c[nH]c2c1 917544373 DKLXDPGZFOTYRF-UHFFFAOYSA-N 274.327 3.794 30 20 CHED CCN(Cc1csc(C2CCCC2)n1)[C@H](C)C#N 595814895 ZMOYLZUXOCLERX-LLVKDONJSA-N 263.410 3.535 30 20 CHED C=C(Br)COC(=O)C12CC3CC(CC(C3)C1)C2 918863536 GRXZMSTYTODTDF-UHFFFAOYSA-N 299.208 3.655 30 20 CHED C=C[C@@H](C)ONC(=O)c1ccc(Cl)cc1C(F)(F)F 846547861 GSPSWDUHZJBUMB-SSDOTTSWSA-N 293.672 3.595 30 20 CHED C#CCCCCC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 841454350 YFUVXCRMGDXUEJ-CABCVRRESA-N 263.425 3.853 30 20 CHED N#Cc1cccc(C(=O)N2CCC(C3CCCCC3)CC2)c1 916436878 KGSFEGKRCXMMTM-UHFFFAOYSA-N 296.414 3.991 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCC(=O)N2 915992940 GOOPXNYPBVAYHF-JXMROGBWSA-N 291.350 3.776 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C1CCCCC1 744810453 PPDAQQHFAVFGKU-YQQAZPJKSA-N 290.451 3.789 30 20 CHED CCc1cccc(NC(=S)N2CCC[C@H](CC#N)C2)c1 849273224 UQCHHGMWRYUFJG-CQSZACIVSA-N 287.432 3.571 30 20 CHED CC(=NNc1ccc(F)cc1F)c1nc(C)sc1C 916248233 TWCMFIKEJHTZDK-UHFFFAOYSA-N 281.331 3.874 30 20 CHED Cc1ccc(-c2nc(CN3CCC[C@@H](CC#N)C3)co2)cc1 595609086 FXCYLGFLIGVWBC-HNNXBMFYSA-N 295.386 3.776 30 20 CHED CCC#C[C@H](C)Sc1ccc(C(C)=O)cc1OC 680837426 NRIDJYRNDRXGFC-NSHDSACASA-N 262.374 3.792 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)CC1(C#N)CCCCC1 597161204 JJTABGPBSRIRRY-KRWDZBQOSA-N 296.414 3.963 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)CC1(C#N)CCCCC1 596760939 XAUYFCCNRDYUCS-CYBMUJFWSA-N 274.364 3.663 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CCC(=O)C[C@@H]1C 847743408 AEHHEJFZDZMPTD-PNDGYWDASA-N 292.419 3.916 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)cc1 843415704 MNATTXHXLQGGNP-HFTRVMKXSA-N 284.403 3.742 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(OCCC(C)C)cc1F 594419109 UIKFWVAPZXLFSW-LBPRGKRZSA-N 292.354 3.739 30 20 CHED COc1ccc(NCC2(CC#N)CC2)c(C(F)(F)F)c1 849313688 JPNMVEXXRXVZHB-UHFFFAOYSA-N 284.281 3.820 30 20 CHED C=CCCCCNC(=O)c1cc2cccc(OC)c2o1 681145253 LDWHPLHVOUNNNT-UHFFFAOYSA-N 273.332 3.528 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2CC23CCCC3)c(OC)c1 747297054 FBZWZQNCBNJJDW-AWEZNQCLSA-N 286.371 3.909 30 20 CHED C#CCC1(C(=O)N(C)c2ccc(Cl)nc2)CCCCC1 841208782 SVDYEEARDSYCPW-UHFFFAOYSA-N 290.794 3.672 30 20 CHED C[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccco1 748679478 HHYKAIJFBLWZAG-NWDGAFQWSA-N 269.300 3.559 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(F)c(F)c1 747062515 ZHDWZMHMPLUPOK-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C=CCCOC(=O)c1nc(-c2ccccc2)cs1 740215147 NLGUVFDXKJIMJU-UHFFFAOYSA-N 259.330 3.543 30 20 CHED CCC#C[C@H](C)N[C@H](C[C@H]1CCOC1)c1ccccc1 684095312 VYFSIYVCRREAHQ-LZLYRXPVSA-N 271.404 3.546 30 20 CHED Cc1cc(C#N)ccc1N[C@H]1CCO[C@@H](c2ccncc2)C1 846752870 JDLJRQRDQRWYFZ-FUHWJXTLSA-N 293.370 3.594 30 20 CHED C=C(C)CNc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C 921059339 UZEVPTTYPRTSRC-CQSZACIVSA-N 286.419 3.855 30 20 CHED C=CCCCCNCc1c[nH]nc1-c1cccc(OC)c1 681134612 ITFNMZQKSVASCV-UHFFFAOYSA-N 285.391 3.531 30 20 CHED CCC#C[C@H](C)N[C@@H](C)c1nc(C2CCCCC2)no1 680426389 KNHAXISKPQZMEG-STQMWFEESA-N 275.396 3.570 30 20 CHED C#CCCCCN[C@H](c1ccccn1)c1ccccc1OC 925528386 SQNUQOGGOXXGKS-IBGZPJMESA-N 294.398 3.573 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1cc(F)ccc1[N+](=O)[O-] 752876639 YBHAZBCHXRLVTC-DAXSKMNVSA-N 289.237 3.769 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1ccc(C)c(C)c1 756842049 JMWFDYGYWROQPS-UHFFFAOYSA-N 273.767 3.610 30 20 CHED CCCCCCCCC(=O)N1CCSC[C@H](C)C1 754495131 HYJUEYOTDGJHFR-CQSZACIVSA-N 271.470 3.949 30 20 CHED COc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1OC(F)F 850562990 ZAVSWPSVQLKPSS-WDEREUQCSA-N 296.317 3.791 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 682437581 DGSFFFODUYJLIY-NQBHXWOUSA-N 277.330 3.778 30 20 CHED CO[C@H](C=NNc1cccc([N+](=O)[O-])c1C)C1CCCC1 853303811 ZLBJZTDCGPDDQX-OAHLLOKOSA-N 291.351 3.506 30 20 CHED CCCCCCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C 858113470 SJHXTXIVXYDHAB-VXGBXAGGSA-N 294.361 3.939 30 20 CHED C#CC[C@@H](NC(=O)N(CC)[C@@H](C)C(C)C)c1ccccc1 757779867 XOSKTRONIAWOHH-DOTOQJQBSA-N 286.419 3.827 30 20 CHED CON=C(Cc1ccccc1)c1ccc(C)c(C)c1 751130766 MZKOREAHVRYGHA-UHFFFAOYSA-N 253.345 3.897 30 20 CHED Cc1cc(C)c(NN=Cc2nc(C)cs2)c(C)c1 755749421 IMKMJPCWMUDUPG-UHFFFAOYSA-N 259.378 3.823 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccccc2C)c1 920944690 HZGOMBSVKNSPGK-PDGQHHTCSA-N 269.344 3.718 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cc(C)ccc1C)OCC 756479073 IIAMPGVXGYXPLJ-INIZCTEOSA-N 276.376 3.718 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1cccs1 756826583 BJFLYMRGOAUIOW-UHFFFAOYSA-N 264.781 3.915 30 20 CHED Cc1cc(CNc2ccc(F)c(C#N)c2)ccc1F 51636140 UURWVCBQYRLQIZ-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C#Cc1cccc(NC(=O)NC(C)(C)CCC=C)c1 854263212 ZCWJSNRNRMEQNB-UHFFFAOYSA-N 256.349 3.534 30 20 CHED C/C(=C\C(=O)N1CCCC(C)(C)[C@H]1C#N)c1cccs1 857195314 UMWFFNPMXSQQBD-IEZBTEQYSA-N 288.416 3.692 30 20 CHED COc1ccc(C(C)=NOCC(F)F)c2ccccc12 758899276 HYFFNPFVMYXDOE-UHFFFAOYSA-N 279.286 3.854 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 853783060 FWPQENZCPZWOCF-YUSALJHKSA-N 275.845 3.556 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)c1 757477075 ZAYXMYLXJTXYPW-VURMDHGXSA-N 284.359 3.617 30 20 CHED C=CCc1cccc(F)c1OCc1oc(C)nc1C 853725515 BNQDCEJIAWDKEK-UHFFFAOYSA-N 261.296 3.738 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(F)c(C#N)c2)C1 759426960 VFDOZLLBXAEGFO-VXGBXAGGSA-N 275.323 3.567 30 20 CHED Cc1ccc(NN=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)nn1 853304336 JVQHXCQDXUFHGB-GHMZBOCLSA-N 286.301 3.551 30 20 CHED C=CCCCNc1ccc(OCC(=O)OC)c2ccccc12 758433562 JGBYFDCPOHLLTL-UHFFFAOYSA-N 299.370 3.770 30 20 CHED C=CCCNC(=O)N[C@H](C)c1ccccc1C(F)(F)F 852003079 HZEOHABUDHYRKB-SNVBAGLBSA-N 286.297 3.642 30 20 CHED Cc1nc(Nc2ccc3c(c2)[C@H](O)CCCC3)ccc1C#N 853811926 BIRIPATWKGWQLT-QGZVFWFLSA-N 293.370 3.765 30 20 CHED CC(C)(C#N)CCCCN[C@H](c1ccncc1)C1CC1 934699337 VTAOVUZLUBJUTH-INIZCTEOSA-N 271.408 3.842 30 20 CHED COc1cc(F)cc(NN=Cc2ccc3ncccc3c2)c1 759211044 YANHDSJHRJAIJV-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCc1ccccn1 851144157 QDQCEZPPPNADRA-ZBFHGGJFSA-N 273.376 3.692 30 20 CHED C[C@@H](OC(=O)Cc1coc2cc(F)ccc12)C(C)(C)C#N 753621040 FSYQFOTYLLYECB-SNVBAGLBSA-N 289.306 3.596 30 20 CHED CC(C)COc1ccc(C=NO[C@H]2CCCCO2)cc1 755821145 BOGCFVYIUSDKNN-INIZCTEOSA-N 277.364 3.599 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)CCc2ncccc21 865227716 VGGMBNWXJFLCGJ-FLIBITNWSA-N 282.368 3.628 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cn(C)nc1-c1ccccc1 935230825 CTQJTZWXSJYFAU-ZDUSSCGKSA-N 283.375 3.628 30 20 CHED CC(C)CON=C1CCC(C(=O)OC(C)(C)C)CC1 768366459 FOPVYCIQXQHENA-UHFFFAOYSA-N 269.385 3.547 30 20 CHED CC[C@H](C)Oc1ccccc1/C=C/C(=O)OC1(C#N)CCC1 762091627 NPUQHKQVLJEBJK-HBWSCVEGSA-N 299.370 3.867 30 20 CHED CC(CCC1CC1)=NNc1ncnc2ccsc12 768783933 JEHPZUGZSVVQNI-UHFFFAOYSA-N 260.366 3.669 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2cnc3ccccc3n2)C1 768363670 BOZSAYDITZLNOR-CHWSQXEVSA-N 268.364 3.854 30 20 CHED C#CC[C@H](CCOC)NC(=O)[C@H](CC)CC1CCCCC1 863786513 BOOMUDIVVVKCGR-IAGOWNOFSA-N 293.451 3.528 30 20 CHED N#Cc1ccc([C@@H](O)COc2ccc(C3CCC3)cc2)cc1 767361076 NHNQPJFMYYSVSI-IBGZPJMESA-N 293.366 3.938 30 20 CHED C#CCN(C(=O)C1CCC(c2ccccc2)CC1)C1CC1 763794770 BMKWEYJLROYHBM-UHFFFAOYSA-N 281.399 3.585 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(F)cc2O)cnc1Cl 760262152 BDVSKVKVFSHGLR-DJWKRKHSSA-N 291.709 3.784 30 20 CHED CCO[C@H]1CCCC1=NNc1nc2ccccc2s1 766428051 BENJNKNWVOKGBK-LBPRGKRZSA-N 275.377 3.653 30 20 CHED Cc1ccc(CCON=Cc2c(C)nc3sccn23)cc1 767933923 QZMPZTLNPLHVRV-UHFFFAOYSA-N 299.399 3.606 30 20 CHED COc1cc(C)sc1-c1nnc(-c2ccc(C#N)cc2)o1 1117242502 BXITYPYMXGWLCR-UHFFFAOYSA-N 297.339 3.654 30 20 CHED Cc1sc(CN(C)[C@@H](C)CC#N)cc1Br 876691064 ZDSPKQCFLDEODX-QMMMGPOBSA-N 287.226 3.553 30 20 CHED CC(=NOCCC(F)(F)F)c1c(C)nn(C(C)C)c1C 777461154 VFQOTSYSMGVAGD-UHFFFAOYSA-N 291.317 3.774 30 20 CHED CC[C@](C)(NCCOc1cccc(C#N)c1)c1ccccc1 775393154 FPUNNJKSCDEMPX-IBGZPJMESA-N 294.398 3.852 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)Cc1ccccc1Cl 876933508 REZPADOCMUFPFJ-STQMWFEESA-N 264.800 3.800 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(-c2ccccc2F)o1 1116369574 PDEGEDKALFCFPW-UHFFFAOYSA-N 297.329 3.571 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CC[C@H]2SCCS[C@H]12 773139200 SQOPRFJMRDNLLF-ODXJTPSBSA-N 271.495 3.556 30 20 CHED C=CCN(C)Cn1c(=S)oc2ccc(Cl)cc21 777544036 CNFNOFJRLHNVHZ-UHFFFAOYSA-N 268.769 3.692 30 20 CHED N#C[C@@H](OC(=O)CC(C1CC1)C1CC1)C1CCCCC1 1116491276 KDLSUQYPVRUNHN-MRXNPFEDSA-N 275.392 3.828 30 20 CHED Cc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)cc1C 776360731 DYJNPMKFKRZRMY-INIZCTEOSA-N 271.360 3.933 30 20 CHED C#C[C@H](N[C@@H](C)c1oc2ccccc2c1C)[C@@H]1CCCO1 775571712 JXANAXDMDYHARL-QRTARXTBSA-N 283.371 3.573 30 20 CHED C#CC[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1ccccc1 775400284 YMMPFKGPTMVMDZ-YTQUADARSA-N 285.431 3.936 30 20 CHED CC(C)(C#N)CCN1CCC(c2ccc(F)cc2)CC1 776593054 URVINDBIFOARKD-UHFFFAOYSA-N 274.383 3.945 30 20 CHED Cc1cccc2c1C/C(=C\c1cccc(C(=O)O)c1)C2=O 774140149 SZKLTHDDHRTFIS-NTEUORMPSA-N 278.307 3.516 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@H](CF)C1)c1ccccc1 881598084 JWESMFXIGIGRIA-CABCVRRESA-N 275.367 3.554 30 20 CHED C=CCSc1ccccc1C(=O)OCc1cc(C)no1 777075024 AYLUZGJYSKISHD-UHFFFAOYSA-N 289.356 3.618 30 20 CHED CC(=NNc1nccnc1C(C)C)c1cccc(F)c1 773090029 DXGJLGDLMHDVNT-UHFFFAOYSA-N 272.327 3.575 30 20 CHED C=CCC[C@H](C(=O)N1CCC(F)CC1)c1ccccc1 881611006 FISPOXKTIPUDRT-INIZCTEOSA-N 275.367 3.697 30 20 CHED Cc1cccc(C(=O)Nc2nc(Cl)c(C#N)s2)c1C 1128933465 ZIAOQMDWBLHWEA-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CCc1oc2ccccc2c1C(=O)N(CC)[C@@H](C#N)CC 1121160152 DGWUDTGASVQICO-GFCCVEGCSA-N 284.359 3.759 30 20 CHED CC(C)CCc1nc(COC(=O)CC(C)(C)C#N)cs1 785079345 WSWNLYGHGKMRTB-UHFFFAOYSA-N 294.420 3.715 30 20 CHED C=C1CCC(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)CC1 889298248 RUEKRALFPAHVOW-QAPCUYQASA-N 299.414 3.721 30 20 CHED C=Cc1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1 785626939 ZXDWMQQRHKSIQV-UHFFFAOYSA-N 277.323 3.753 30 20 CHED C=CCCC(=O)COC(=O)C[C@H](C)c1c[nH]c2ccccc12 787227348 ONAZVBABHSURAE-ZDUSSCGKSA-N 299.370 3.740 30 20 CHED Cc1nc(C)c(C=NNc2ccc(C#N)c(Cl)c2)s1 783880766 LPSFHQFJAXIVOB-UHFFFAOYSA-N 290.779 3.731 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)c2cccc(Cl)c2)n1 1129269397 OITGMDCJMZDPQK-LLVKDONJSA-N 299.761 3.657 30 20 CHED C=CCCN(C)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 786446966 SEEZMGKIMQLVAS-ZDUSSCGKSA-N 271.364 3.614 30 20 CHED C=CCC1(O)CCN(CC[C@@H](C)c2ccccc2)CC1 895834728 QDQVSLOOOAFVRU-MRXNPFEDSA-N 273.420 3.583 30 20 CHED Cc1ccc2ccccc2c1OC(=O)CCCC#N 893987001 SERNQIJLRDKBMH-UHFFFAOYSA-N 253.301 3.748 30 20 CHED CCCCC[C@@H](C)CC(=O)N1CCC[C@](C)(C#N)C1 784747485 ROJKEZQLWAGPAY-GDBMZVCRSA-N 264.413 3.745 30 20 CHED N#CC1(CCCC[S@@](=O)c2ccc(F)cc2F)CCC1 899277879 QORVKJRKLRQGGA-HXUWFJFHSA-N 297.370 3.937 30 20 CHED C#CC[C@@H](NCc1c(F)cccc1F)c1ccccc1 780314331 XSWYPEAICXATPS-QGZVFWFLSA-N 271.310 3.819 30 20 CHED CCCCCCCC(=O)N(C)C1CCN(C(C)C)CC1 891387496 FZFSRNAMUDLJNK-UHFFFAOYSA-N 282.472 3.678 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ncccc1CC 780727466 RKTVODZBUGGJAG-OAHLLOKOSA-N 294.398 3.507 30 20 CHED COC(=O)c1csc(C(=O)/C=C\c2ccc(C)cc2)c1 794723932 AAKUMMNQYCMWBD-FPLPWBNLSA-N 286.352 3.739 30 20 CHED CC(C)[C@H]1CN([C@H](C)CCC#N)CCN1Cc1ccccc1 704734976 MXNKKRAHUBVIOT-IEBWSBKVSA-N 299.462 3.521 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cnn(C3CCC3)c1)C2=O 899350808 QKIAHYRGFLFQJP-NVNXTCNLSA-N 278.355 3.739 30 20 CHED Cc1cc(C)c(C#N)c(NCc2nc3c(s2)CCCC3)n1 896043557 QVUDIXYIIIFVNN-UHFFFAOYSA-N 298.415 3.518 30 20 CHED Cc1ccc(C(=O)Nc2nc3ccsc3s2)cc1C#N 799341634 ULAIOVGGWDTMQE-UHFFFAOYSA-N 299.380 3.790 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H](F)CC1CCCCC1 796213825 IQXKAFCRXICKDX-CYBMUJFWSA-N 269.360 3.778 30 20 CHED COc1cccc(NCC(C)(C)CCC#N)c1F 690034952 ZRUOHMXRODUGOQ-UHFFFAOYSA-N 250.317 3.576 30 20 CHED COCC[C@@H]1CCCC1=NNc1nccc2sccc12 799876679 XJHGVVKLXRQSQD-NSHDSACASA-N 289.404 3.901 30 20 CHED C[C@@H]1CCc2c(F)cccc2C1=NNCCC(F)(F)F 794551268 DSDNDNGDRWONIM-SECBINFHSA-N 288.288 3.654 30 20 CHED C=C(C)CNC(=S)N[C@@H]1C[C@H]1c1cccc2ccccc12 797408461 PWZLFCLUQMZXFX-DLBZAZTESA-N 296.439 3.736 30 20 CHED CCc1ccc(OC(=O)c2ccc(C)c(C#N)c2)c(OC)c1 799356660 FWSKXQFBRSELMB-UHFFFAOYSA-N 295.338 3.657 30 20 CHED C#Cc1cccc(N(C)C(=O)C(C2CCC2)C2CCC2)c1 796125015 CVYUVQRCRGFGKK-UHFFFAOYSA-N 281.399 3.847 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCC[C@H]1CCO 779225082 LJNIXUWVQUJTPC-HRCADAONSA-N 255.446 3.876 30 20 CHED C=C[C@@H](COC)N[C@H]1CCc2c1ccc(Cl)c2Cl 1325619719 JPPJJRHTAXZTGT-ZANVPECISA-N 286.202 3.771 30 20 CHED N#Cc1csc(CN2CC[C@@H]3CCCC[C@H]3C2)c1 1324712276 PWZHAYDDWKHCMA-KBPBESRZSA-N 260.406 3.632 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cccc(Cl)c1Cl 1320306364 QZXTWBWAWKYMAW-VHSXEESVSA-N 274.191 3.845 30 20 CHED Cc1cc(CN2CC[C@@H](C)C(C)(C)C2)ccc1C#N 1652136193 DZXYAPONCXBDAE-CQSZACIVSA-N 256.393 3.735 30 20 CHED CC(=O)c1ccc(Oc2ncc(C#N)cc2F)cc1Cl 1187686123 KJNSPLMCTJEOSD-UHFFFAOYSA-N 290.681 3.741 30 20 CHED Cc1cn(CC(=O)O[C@H]2CCC[C@@H](C#N)C2)c2ccccc12 1331158108 PHKJBGIXEPHKKQ-CABCVRRESA-N 296.370 3.575 30 20 CHED CCC1(CC)CCCN(c2cccc(CC#N)n2)C1 1330692220 KIADYSGTUKTIRR-UHFFFAOYSA-N 257.381 3.554 30 20 CHED N#Cc1c[nH]ccc1=NCCc1ccc(-c2ccccc2)cc1 1185702550 YNPRKWMHLOUXSN-UHFFFAOYSA-N 299.377 3.697 30 20 CHED CC#CCCCC(=O)N(c1ccccc1C#N)C1CCC1 1331446481 JXEMPLBVSQJZCE-UHFFFAOYSA-N 280.371 3.637 30 20 CHED C=C[C@@H](C(=O)N1CCCC(F)(F)CC1)c1ccccc1 1263866207 GUNMGPSQOOPBBP-CQSZACIVSA-N 279.330 3.604 30 20 CHED C=CCCOCCCCC(=O)N[C@H](C)c1ccc(F)cc1 1262646370 ZUOHWWBCGHHXKK-CQSZACIVSA-N 293.382 3.766 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc2ccc(OC)cc2[nH]1 1262654402 GIKCOHWVYYUTAB-AWEZNQCLSA-N 298.386 3.747 30 20 CHED C=CCN(C(=O)CC#Cc1ccccc1)c1ccccc1 1340364463 UUWLBHZAEOQFAD-UHFFFAOYSA-N 275.351 3.647 30 20 CHED C=CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 1262556615 WBPQVKDNMHHREW-UHFFFAOYSA-N 294.329 3.725 30 20 CHED C=C1CCN(c2nnc([C@@H]3CC=CCC3)n2CC2CC2)CC1 1348163668 NHNWFHCWCGDKPB-MRXNPFEDSA-N 298.434 3.668 30 20 CHED CC[C@](C)(C#N)C(=O)NCCC12CC3CC(CC(C3)C1)C2 1350003109 AVIRXVRQZLXYKS-UFPBRMSXSA-N 288.435 3.649 30 20 CHED CC(C)CCN(c1ccc(C#N)cn1)C1CCCC1 110363388 IAKZXTBDLPHNHK-UHFFFAOYSA-N 257.381 3.748 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 1517998447 TXCGUHYOTRJYFV-YRGRVCCFSA-N 270.376 3.878 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 1445589009 YSPMUDXTKMQWAW-GUYCJALGSA-N 296.345 3.581 30 20 CHED Cc1cc(N(C)[C@H]2CCC[C@H]2C(C)(C)C)ncc1C#N 1458448967 YZZHDABSUBCGRZ-CABCVRRESA-N 271.408 3.913 30 20 CHED C=CC(F)(F)c1nc2ccc(OC)cc2nc1Cl 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Cc1cc(Nc2ccc(C(F)F)cc2)ncc1C#N 1643252057 ZEYULTVDCLWYSC-UHFFFAOYSA-N 259.259 3.943 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](C)[C@@H](C(=O)O)C1 1573841245 RMDTTYSUVRFQHT-CABCVRRESA-N 297.439 3.696 30 20 CHED CCC1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCCCC1 1584703275 ONOWJVDPCAABGT-KGLIPLIRSA-N 263.381 3.972 30 20 CHED C[C@@H]1C(=NNc2ccc(F)cc2Cl)CC[C@H]1CC(=O)O 1776106635 NZHFOSVQOGANCF-IUCAKERBSA-N 298.745 3.768 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2ccccc2C(=O)O)C1 1776030570 PWGAVWHZIJUIFQ-QWHCGFSZSA-N 274.364 3.999 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCC(C)(C)C 1776782372 LYUBCBGTUSDKBI-ZDUSSCGKSA-N 257.418 3.826 30 20 CHED Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 15682909 CQKQLOKHZURYHC-AWEZNQCLSA-N 294.354 3.581 30 20 CHED COCc1ccccc1NCC#Cc1cccc(Cl)c1 161250735 ZUQIXUBLPJEGNR-UHFFFAOYSA-N 285.774 3.950 30 20 CHED C[C@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(C#N)cc1 162948858 HJUYZLBLAGQPDU-MGHWNKPDSA-N 296.414 3.557 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C=CCCC1 158814579 YGUNQBFNUKCGTO-QGZVFWFLSA-N 297.402 3.589 30 20 CHED CC(C)c1noc(N[C@@H](CCC#N)c2ccccc2)n1 164280143 UZTKTYSMYZPRIB-ZDUSSCGKSA-N 270.336 3.650 30 20 CHED C[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccsc1 151782048 BUQCRFJNUTWBJU-NWDGAFQWSA-N 284.384 3.601 30 20 CHED CN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 153469047 UXFGTWNRCCRRJX-UHFFFAOYSA-N 276.767 3.616 30 20 CHED CC#CCCN(Cc1ccccc1)C[C@H](O)c1cccs1 156034766 AXFVDPOLRNYKGF-KRWDZBQOSA-N 299.439 3.697 30 20 CHED C/C=C(\C=C\C(=O)Nc1ccc(CC#N)cc1)CC 156825889 DTBPTHRRSCTBSK-CJYWMWHESA-N 254.333 3.604 30 20 CHED C=CCN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 154769667 UAWRGDTYUMFMEF-UHFFFAOYSA-N 292.382 3.755 30 20 CHED CC1(C)C[C@H](Nc2ncccc2C#N)c2ccccc21 154867585 UWPZERHYQQOTKB-HNNXBMFYSA-N 263.344 3.788 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc(OC(F)F)cc1 924567691 RQQXDPMXUGRSAQ-NSHDSACASA-N 282.334 3.706 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3ccccc32)cc1 20133664 RHPYBEHNBBKHNL-SFHVURJKSA-N 262.356 3.725 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H]2CCCC[C@H]2C1 253283451 MALLBMVXTPZBJZ-WMZOPIPTSA-N 268.404 3.879 30 20 CHED CCCOc1cccc(NCc2cccc(C#N)c2)c1 35276190 SQEHNZMIBPFZRK-UHFFFAOYSA-N 266.344 3.959 30 20 CHED Cc1cc(C#N)ccc1COc1c(F)cccc1F 165568120 FVIIDCSIARVQRP-UHFFFAOYSA-N 259.255 3.724 30 20 CHED Cc1c(C(=O)NCCCCC#N)sc2cccc(F)c12 171505297 HLHFVOQNJSBEHQ-UHFFFAOYSA-N 290.363 3.773 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2cccc(F)c2C#N)C1 307779943 SUGUJQGJCUZTEB-LBPRGKRZSA-N 260.356 3.960 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)CC1CCCCC1 404277726 SVKLCHDTZVYLRY-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CCCCCCCCC(=O)NCC(C)(C)CC#N 315480565 WALWZDCKVFRGAG-UHFFFAOYSA-N 252.402 3.793 30 20 CHED Cc1nc(N[C@H](C2CCC2)C2CC2)c(Cl)cc1C#N 325061033 XDUPIFMENVVMGJ-CQSZACIVSA-N 275.783 3.906 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1ccc(OC)c(C#N)c1 87823556 XIJDQIUAWYJXBK-GDBMZVCRSA-N 272.392 3.625 30 20 CHED N#CCC1CCN(Cc2ccc(F)cc2Cl)CC1 334215349 QSHQBUMQGLPCBG-UHFFFAOYSA-N 266.747 3.605 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)cc(F)c2F)CCCC1 334244850 CRYSKSZIMNMHQO-UHFFFAOYSA-N 284.693 3.641 30 20 CHED COc1ccccc1Oc1nc(C)c(C#N)cc1Cl 336819367 ZLNIECHZPNPZQR-UHFFFAOYSA-N 274.707 3.716 30 20 CHED CC1CCC(CNc2ncc(C#N)cc2Cl)CC1 339134717 JIWHOJAINQVZON-UHFFFAOYSA-N 263.772 3.845 30 20 CHED C=CCCS(=O)(=O)N[C@@H](c1ccccc1)C(CC)CC 480927688 KWMXONYSAMQQOJ-MRXNPFEDSA-N 295.448 3.659 30 20 CHED CC[C@](C)(C#N)C(=O)NC1CCC2(CCCCC2)CC1 586810678 ONUFIWOTPLRFQS-MRXNPFEDSA-N 276.424 3.936 30 20 CHED CC(=NOCc1ccccc1)c1ccc(O)c(C)c1 728226148 JMHHFMYGZNJTAJ-UHFFFAOYSA-N 255.317 3.641 30 20 CHED CCCCCCCOC(=O)/C=C\c1ccc(O)cc1 100314164 ZRSMSCCTVGCPKG-XFXZXTDPSA-N 262.349 3.919 30 20 CHED C=CCSCCNc1ncnc2sc(C)c(C)c12 223895270 ONTFPQBGKGBQNI-UHFFFAOYSA-N 279.434 3.639 30 20 CHED CC(C)COc1ccccc1NC(=O)c1ccc(C#N)cc1 55766545 PLASBUPQMDWXJK-UHFFFAOYSA-N 294.354 3.845 30 20 CHED CCCCCCCCNCc1ccc(C(=O)O)cc1 102553675 NFAGYMAMOYJRKE-UHFFFAOYSA-N 263.381 3.835 30 20 CHED CN(C(=O)c1ccc(F)cc1)c1cc(Cl)ccc1C#N 176424264 WEBOYULMCZNRMI-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=CC1CCN(C(=O)CCc2cc(Cl)cs2)CC1 172540582 PEHIWHMKVNCCSD-UHFFFAOYSA-N 283.824 3.759 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(F)c(F)c1F 104973001 XWXKQHKACWAPOO-UHFFFAOYSA-N 272.270 3.534 30 20 CHED C#CCCCCC(=O)Nc1ccc(N2CCCC2)c(F)c1 119657505 KQZYAWQECVJZSG-UHFFFAOYSA-N 288.366 3.558 30 20 CHED N#Cc1cnc(Nc2cccc(N3CCCC3)c2)c(Cl)c1 114708931 PTIFNISVQZKWNO-UHFFFAOYSA-N 298.777 3.950 30 20 CHED C#CCCCNC(=O)CCCOc1cccc2ccccc12 172950153 NLVHLMJTFPQEFQ-UHFFFAOYSA-N 295.382 3.528 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 112775570 HXLMOCQQSGWKOO-KGLIPLIRSA-N 298.292 3.579 30 20 CHED C=CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 175875352 GKWXUVOFKAWHPS-NVXWUHKLSA-N 271.404 3.995 30 20 CHED O=C1/C(=C/c2cccnc2Cl)CCc2cc(O)ccc21 171541867 SFEREDLFBMSBID-DHZHZOJOSA-N 285.730 3.653 30 20 CHED CN(C(=O)CCCCCc1cccs1)C1(C#N)CCC1 67269705 WQVQXJGSRXNBQC-UHFFFAOYSA-N 290.432 3.756 30 20 CHED C#CCCCN[C@H](C)c1ccccc1C(F)(F)F 178057794 UISWDRKISRRRDX-LLVKDONJSA-N 255.283 3.769 30 20 CHED C=CCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 177758972 IYLVBEINWLMABF-UHFFFAOYSA-N 290.363 3.688 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(C)c(OC)c1C 178786565 GIHFATGCVJCWDR-UHFFFAOYSA-N 296.370 3.804 30 20 CHED CCC(CC)NCCSCc1ccccc1C#N 177823023 NMMWYOIBPKENOO-UHFFFAOYSA-N 262.422 3.570 30 20 CHED N#Cc1ccc(SCCCC(=O)O)cc1C(F)(F)F 311460615 LUZAXTNMTGIKMD-UHFFFAOYSA-N 289.278 3.534 30 20 CHED CN(CCCCC(C)(C)C#N)CCOc1ccc(F)cc1 409446890 FCFAXFVKEZBOSC-UHFFFAOYSA-N 292.398 3.856 30 20 CHED N#Cc1cccnc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 439615500 SHIJELQAXQVOAS-PWSUYJOCSA-N 283.297 3.734 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H](C)[C@@H]2C)c1 175268658 HOPFAEUEGPRBNU-STQMWFEESA-N 274.364 3.514 30 20 CHED N#Cc1nccnc1NCC1CCC(c2ccccc2)CC1 301188040 FXYKUPVDWLJCLD-UHFFFAOYSA-N 292.386 3.734 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 175983597 FLAASQVERVNRLL-GUYCJALGSA-N 288.391 3.532 30 20 CHED C[C@@H](N(C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1(C)CC1 175874185 UNHOYXKYVOUEKC-SNVBAGLBSA-N 291.782 3.864 30 20 CHED C=CCN(C(=O)c1ccccc1F)c1ccccc1 60525693 ZTSKXDNOILFUNM-UHFFFAOYSA-N 255.292 3.659 30 20 CHED C=CCCCC(=O)Nc1cccc(Cl)c1N(C)C 177544287 SLDPWCHUOOGGGV-UHFFFAOYSA-N 266.772 3.701 30 20 CHED Cc1ccc(Cl)cc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 129508432 PZIBJCVWFGVPSI-BDJLRTHQSA-N 290.794 3.851 30 20 CHED CC(C)c1ccc(NCc2cccc(C#N)n2)cc1 602485565 VJTLZAMCSGUZCB-UHFFFAOYSA-N 251.333 3.689 30 20 CHED Cc1ccccc1C[C@H](C)Nc1nc2ccccn2c1C#N 302104190 RDYAIEGPGMLGLF-AWEZNQCLSA-N 290.370 3.558 30 20 CHED Nc1cnnc(NN=C2CCC(=C3CCC3)CC2)c1Cl 1350465471 LWFPUVQJBKZCKE-UHFFFAOYSA-N 291.786 3.535 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)NC1CCCC1 30056860 OADVIKLENOQIQY-UHFFFAOYSA-N 290.366 3.898 30 20 CHED CCCN(CC#N)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 129938244 CJNJHFWWMIVKLM-DLBZAZTESA-N 284.403 3.676 30 20 CHED Cc1cc(C)c(CNCc2ccc(C#N)c(F)c2)c(C)c1 404110509 JJYVTHRGEDXCQM-UHFFFAOYSA-N 282.362 3.912 30 20 CHED C[C@@H](CCC#N)Sc1nnc(C2CC2)n1-c1ccccc1 188228317 XIVHGJVYIYDQEU-LBPRGKRZSA-N 298.415 3.929 30 20 CHED C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc(C#N)cc1 31435521 RZHDPPPKTZSADO-ZDUSSCGKSA-N 296.345 3.507 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 122401427 DLEYXMQMDWEBIS-AWEZNQCLSA-N 290.432 3.855 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 77564265 LFXLBEAXYTWACB-RUDMXATFSA-N 286.400 3.817 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C=C(CC)CC 123094790 NVUVAEDINOZVTR-UHFFFAOYSA-N 287.403 3.956 30 20 CHED Cc1cccc2c1C/C(=C\c1ccccc1C#N)C2=O 121187633 CXZGWVJSUDRQPG-OQLLNIDSSA-N 259.308 3.689 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(F)c(F)c(F)c1 126239535 WGYLTQBVCLQLBC-UHFFFAOYSA-N 298.308 3.696 30 20 CHED CC[C@@H](C[C@H](C)CC)NCc1ccc(OCC#N)cc1 180558984 LTSXARYPTRWCMC-ZBFHGGJFSA-N 274.408 3.893 30 20 CHED C=CCNC(=O)Nc1ccccc1-c1ccccc1 43329080 CYRGUIHBNLLTGP-UHFFFAOYSA-N 252.317 3.661 30 20 CHED CCC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1OC(F)F 76193719 BYVPVBQFPDLHSS-SNVBAGLBSA-N 296.317 3.924 30 20 CHED C=CCNC(=O)Nc1ccc2c(ccn2CC(C)C)c1 72079752 HNRZFEZKUMYLEX-UHFFFAOYSA-N 271.364 3.605 30 20 CHED N#CC1(CCn2cnc3ccccc32)CCCCC1 418801143 VHUCXMGRBNGDOT-UHFFFAOYSA-N 253.349 3.900 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1C 182598509 KHNHDHBCFPERTR-CQSZACIVSA-N 297.402 3.655 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(-n3cncn3)cc2)s1 73879653 UXFSNYPKILCOCM-VMPITWQZSA-N 295.367 3.533 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)cc1C 129906749 KKEMAAMIXZRFEY-RDJZCZTQSA-N 284.403 3.908 30 20 CHED C=C(C)CCc1noc([C@H](C)Oc2cccc(F)c2)n1 508598875 JLYULHYBDQTBTF-NSHDSACASA-N 276.311 3.857 30 20 CHED N#Cc1cccc(CN2CC[C@H]2c2ccccc2)c1F 340885682 YIHGLFSOCKJFPL-INIZCTEOSA-N 266.319 3.644 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@H]2SCC)CCC1 188856033 XWYUXIDFPVBKJC-QWHCGFSZSA-N 267.438 3.523 30 20 CHED CCc1nnc(Oc2ccc(SC)cc2)c(C#N)c1CC 125042954 HEHHDOLJNHZBLS-UHFFFAOYSA-N 299.399 3.987 30 20 CHED CCOc1ccc(O)c(/C=N/CC[C@H](OCC)C(C)C)c1 74797255 IKLOTQIHMNONFT-BOFQVRIASA-N 293.407 3.661 30 20 CHED C=C(C)CN(CC)C(=O)c1cnc(-c2ccccc2)s1 78349808 LLMOAGVOXWEKLN-UHFFFAOYSA-N 286.400 3.848 30 20 CHED CCC[C@@H](C)N(C)C(=O)c1cccc(SCC#N)c1 79405017 GAYBJURYWBBBIV-GFCCVEGCSA-N 276.405 3.563 30 20 CHED C[C@@H](CNc1ncccc1C#N)Sc1ccccc1 78505625 LVHLISBYHSJHBC-LBPRGKRZSA-N 269.373 3.546 30 20 CHED N#Cc1ccncc1NCc1ccc(C2CCC2)cc1 491596341 JMAQTTWBTSGMHX-UHFFFAOYSA-N 263.344 3.833 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC)C(F)F 413823869 BGSREAGRNOKTEE-KGLIPLIRSA-N 296.361 3.517 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)c1ccc(C)cc1 502963978 ZFPJLYQRICHHGN-UHFFFAOYSA-N 288.435 3.880 30 20 CHED CCCCCCCCN1CC[C@H](N2CCCC2)C1 157797945 DJBAZYXEPOWXKT-INIZCTEOSA-N 252.446 3.517 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CCC(C)(C)C 188919805 ADMYFFAYHKYSJL-BBRMVZONSA-N 269.429 3.546 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1ccccc1Cl 79292358 LWMUQNIXRPIIIE-LBPRGKRZSA-N 281.783 3.500 30 20 CHED CCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F 76489745 WJZZTURRQLTVOH-SECBINFHSA-N 282.290 3.534 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)CCc1ccccc1 182094761 YMIWPJGFLAAPKE-CQSZACIVSA-N 294.354 3.549 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)C1CCOCC1 414303310 NJGJXUSBADTVKU-QAPCUYQASA-N 273.420 3.579 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(C2CCC2)C2CCC2)c1 413823451 AEPOCIPAZDOKCH-ZWKOTPCHSA-N 294.398 3.595 30 20 CHED CC(C)(CN(CCC#N)Cc1ccccn1)c1ccccc1 180058761 GQNLCIWXXRJHQI-UHFFFAOYSA-N 293.414 3.775 30 20 CHED Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c2ccccc12 414204560 BNQJMKLYKQEFKG-GDBMZVCRSA-N 264.372 3.930 30 20 CHED COc1cc(C#N)ccc1CN1[C@H]2CCCC[C@@H]2C[C@H]1C 501209657 OPVLDABCWUGMHZ-UNEWFSDZSA-N 284.403 3.720 30 20 CHED COc1ccc(CN2CCC[C@@H]2C2CCCC2)cc1C#N 87833340 KAOURMGICADUQU-QGZVFWFLSA-N 284.403 3.721 30 20 CHED C#CCCCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C 190524264 XQRPLRCZKKOASK-UHFFFAOYSA-N 297.402 3.613 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)o1 83982126 DBLOMQDHNPDTIA-CSKARUKUSA-N 286.327 3.755 30 20 CHED Cc1sc(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)c(C#N)c1C 329349675 DCZWTXMHXSNYCP-KCJUWKMLSA-N 290.388 3.830 30 20 CHED CC(C)CC(=O)Nc1ccc(Nc2ccc(C#N)cn2)cc1 43537457 GBDKMQWBAYGQDM-UHFFFAOYSA-N 294.358 3.681 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2ncccc2c1 195277884 ADKGVWWHDNPWTI-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@H]1c1ccc(O)cc1 610447547 NEXSAJJCIULLDD-MRXNPFEDSA-N 272.392 3.859 30 20 CHED N#Cc1ccc(OCCSc2ccccc2)cc1F 134072330 HHLRHQMPUJNOTF-UHFFFAOYSA-N 273.332 3.868 30 20 CHED C[C@@H]1c2ccsc2CCN1c1c(C#N)cccc1[N+](=O)[O-] 425199599 IHEDFNNPIJKSSS-SNVBAGLBSA-N 299.355 3.652 30 20 CHED C=CCCCN(C)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 135077182 YCOQFSZYRFWEFC-RYUDHWBXSA-N 277.330 3.780 30 20 CHED CO[C@H]1CCC[C@@H](C(O)=Nc2scnc2C2CC2)C1 328961342 QQBOHSGDEBRCCA-MNOVXSKESA-N 280.393 3.814 30 20 CHED Cc1nc(CSCc2cccc(F)c2C#N)cs1 427835407 MCPCHUUHTHAWAD-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)c2snnc2C2CC2)[C@@H]1C 329819172 OYQUIUHFVLFBKL-KKZNHRDASA-N 279.409 3.545 30 20 CHED CC(C)CN(C(=O)c1sccc1C#N)c1ccccc1 515686728 KVHIYJQSHMYAHM-UHFFFAOYSA-N 284.384 3.923 30 20 CHED C[C@@H](Nc1ncc(Cl)s1)c1ccc(C#N)cc1 613180222 LZGQRKOMLACEKO-MRVPVSSYSA-N 263.753 3.841 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/CC[C@@H]2C[C@H]3CC[C@H]2C3)C1 328782201 VCFJXKLGBFKMDU-YHQUGGNUSA-N 278.396 3.524 30 20 CHED C=C(C)CN(CC)C(=O)CCc1cccc(OC(F)F)c1 424582540 JPBNWPZQBBDSOH-UHFFFAOYSA-N 297.345 3.645 30 20 CHED CC[C@@H]1CCN(c2ccc(C#N)cc2Br)C1 135536532 REVFXZINCMUKDW-SNVBAGLBSA-N 279.181 3.557 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC2CCSCC2)n1 613417646 DUHSXGVMRPLCEQ-UHFFFAOYSA-N 275.421 3.558 30 20 CHED CCCCN(C(=O)CSCC#N)[C@H](C)c1ccccc1 192568695 GNURKQBFYKADPF-CQSZACIVSA-N 290.432 3.633 30 20 CHED C=CCc1ccc(OCc2ccccc2[N+](=O)[O-])c(OC)c1 515313705 LQBNOMWARXIVQU-UHFFFAOYSA-N 299.326 3.911 30 20 CHED CC(C)COc1cccc(CNc2cc(CC#N)ccn2)c1 518458007 CRIPIHQZKKRZIR-UHFFFAOYSA-N 295.386 3.795 30 20 CHED N#Cc1cccc(NCc2cc(Cl)ccc2F)c1 83442319 NOLIOVYXJZNFAY-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1Cc2ccccc2O[C@H](C)C1 429132319 ZITBZJFKANGXGW-CABCVRRESA-N 292.382 3.902 30 20 CHED C=CC[C@@H](C)NC(=O)c1coc2ccc(CC)cc12 512745023 UVWOFIMCFNIIPG-LLVKDONJSA-N 257.333 3.690 30 20 CHED CC(C)Oc1ccccc1C/N=C(/O)N[C@@H]1CC[C@@H](C)C1 331237852 VBUJIFXXWKFWKB-UKRRQHHQSA-N 290.407 3.666 30 20 CHED N#CCC1CCN(Cc2ncc(Cl)cc2Cl)CC1 336507397 BQILYHQHVXCHPP-UHFFFAOYSA-N 284.190 3.514 30 20 CHED CCC[C@H](C)C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 517804150 BRWGBPOTAMYSPP-XJKSGUPXSA-N 272.392 3.708 30 20 CHED COCCC1(CNc2ccc3cc(C#N)ccc3n2)CCC1 92922068 PDVBJWIWZPEVDW-UHFFFAOYSA-N 295.386 3.725 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCC(C)(C#N)CC2)CC1 336419123 LAVPPAFEZBQQKZ-SHTZXODSSA-N 276.424 3.601 30 20 CHED CCN(C(=O)[C@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1 334180741 FJNWGWITPGHOGN-ZDUSSCGKSA-N 292.329 3.737 30 20 CHED Cc1ncc(-c2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2)o1 336353061 PPGCXPUHZXXPHH-DOMZBBRYSA-N 267.332 3.754 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccc(Cl)cc1 148434125 RXLJIWIDMRSETJ-UHFFFAOYSA-N 272.797 3.611 30 20 CHED N#CCC[C@H](NC1Cc2ccccc2C1)c1ccccc1 90664865 VQJLKVRQJUQKPD-IBGZPJMESA-N 276.383 3.788 30 20 CHED Cc1cccnc1[C@H](N/C(O)=N/[C@@H]1CC[C@@H](C)C1)C(C)C 331243815 ZGOQSURFWZIYQS-BPLDGKMQSA-N 289.423 3.779 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1csc2ccccc12 339174228 RMGJECGMLZTXGN-NSHDSACASA-N 272.373 3.666 30 20 CHED Cc1cccc(CCNCc2ccc(O[C@H](C)C#N)cc2)c1 237572634 ABLVSXCLKYVMMH-MRXNPFEDSA-N 294.398 3.618 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cc(F)cc(Cl)c1 510337024 AALZRKPZRZOLTF-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(C)CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 513210468 PXTSWBUPJVSOCV-OAHLLOKOSA-N 299.336 3.573 30 20 CHED CCN(C(=O)c1cn(CCCC#N)c2ccccc12)C1CC1 434518795 USYVPAUNDIQOII-UHFFFAOYSA-N 295.386 3.570 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)CCO2 433256505 PRCUBEBAWCGLHU-AWEZNQCLSA-N 292.382 3.686 30 20 CHED C[C@H](C(=O)NCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 520326414 SNNJOCMRBJLZFK-VIFPVBQESA-N 297.185 3.517 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc2ccc(O)cc12 528875030 HQOXRJJWDQSEJS-UHFFFAOYSA-N 282.343 3.814 30 20 CHED CC1(C)Cc2occc2[C@H](NCC2(CC#N)CC2)C1 430735536 REGJZDDSYXXGSW-CYBMUJFWSA-N 258.365 3.577 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(SC)cc1 90883697 ZBONCTJNCUTDSU-ZDUSSCGKSA-N 265.422 3.652 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)[C@@H]2CCCC[C@H]12 248373840 LUXVKGULQYXMPH-KCPJHIHWSA-N 260.406 3.630 30 20 CHED Cc1c([C@H](C)NCC(C)(C)CCC#N)cnn1C(C)C 348211229 DRZOEGRVJYTUMB-ZDUSSCGKSA-N 276.428 3.753 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2ccccc2CC#N)cc1 600943844 KSUWTPSVDRJHTL-AWEZNQCLSA-N 292.382 3.806 30 20 CHED Cc1c(C#N)cccc1NCc1nc(C2CC2)cs1 342562491 DLQJHNRTVBEVEI-UHFFFAOYSA-N 269.373 3.813 30 20 CHED CCOc1ccc(CNc2cccc(C#N)n2)cc1Cl 343157097 CWJFQLQEYREKFQ-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CCCCN1CCCC[C@@H]1CNc1ccc(C#N)cc1 522382423 WDCKKMWPMZQRFE-QGZVFWFLSA-N 271.408 3.625 30 20 CHED C=C1CCN(C(=O)c2cccc(OCC(C)C)c2)CC1 342099848 CLLIWFDZNGAMRH-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCO[C@@H](CC)C2)n1 340784285 WPFMEIRDLAIKSQ-NEPJUHHUSA-N 264.369 3.596 30 20 CHED C[C@H](CCC#N)CN1Cc2ccccc2C(F)(F)C1 602488797 VQJGCFLLWLALRM-GFCCVEGCSA-N 264.319 3.534 30 20 CHED C[C@H](N[C@H](C#N)Cc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 604553116 LBVHRGKCEYUZRH-HILJTLORSA-N 268.404 3.536 30 20 CHED C=CC[C@@H](C)NC(=O)NCCc1ccc(C(C)(C)C)cc1 604894753 HPFNIGCEYWJJEV-CQSZACIVSA-N 288.435 3.790 30 20 CHED CC[C@H](NC(=O)NCc1cccc(C#N)c1)C1CCCCC1 608782796 IRZPVAFODUBYIX-KRWDZBQOSA-N 299.418 3.716 30 20 CHED Cc1ncccc1/C=C1/Cc2cc(Cl)ccc2C1=O 255558662 VDSOCHNZGFGPTI-QPEQYQDCSA-N 269.731 3.866 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc(C2CC2)o1 600116378 CCBRXDAHLHVCNR-UHFFFAOYSA-N 275.396 3.704 30 20 CHED COCc1cccc(CSc2ccccc2C#N)c1 533331451 AYXCZYFQHUZLBL-UHFFFAOYSA-N 269.369 3.997 30 20 CHED C=CCCC(=O)N(CCC)[C@H]1C[C@@H](OCC)C12CCCC2 607094533 UOPXPNAYVPQPLV-JKSUJKDBSA-N 293.451 3.929 30 20 CHED CC(C)(C)CCCC(=O)N(CCC#N)Cc1ccccn1 264021570 GTWMYQIHEBYHIU-UHFFFAOYSA-N 287.407 3.540 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H](CC#N)c1ccccc1 357156292 YRKKTUUEOABCCJ-SJORKVTESA-N 282.387 3.641 30 20 CHED C=CCC1(C(=O)Nc2ncc(C)s2)CCCC1 449195416 WDEUGQGJRFGTPA-UHFFFAOYSA-N 250.367 3.527 30 20 CHED C=CCC[C@@H](NC1CCN(C2CC2)CC1)c1ccccc1 269409963 IUQSWNANAPRWKH-LJQANCHMSA-N 284.447 3.910 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC(C)(C)CCC#N 358713755 SCYFCQUWTPGKEW-UHFFFAOYSA-N 299.418 3.714 30 20 CHED C=CCCOCCN[C@H](C)c1cc(C)c(F)c(C)c1 539051809 CDUNLLPXPKDEPD-CQSZACIVSA-N 265.372 3.686 30 20 CHED N#Cc1cnccc1/C=C/c1cc(O)cc(C(F)(F)F)c1 357083293 YFPZNUOTJUXIOP-OWOJBTEDSA-N 290.244 3.848 30 20 CHED CC(C)[C@@H]1N(C(=O)c2cc(C#N)ccc2Cl)CC1(C)C 350748205 MQHZSGRHZKNWOO-AWEZNQCLSA-N 290.794 3.718 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)c2ccsc2)C1 617784687 XOBPQORJVGTNCG-OLZOCXBDSA-N 263.406 3.666 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(CCN3CCCCC3)cc2)C1 442868613 GWTDJCUZAWWSAD-PKOBYXMFSA-N 297.446 3.819 30 20 CHED C=CCCN(C)C(=O)c1ccncc1Oc1ccccc1 440874472 MCDDSXSVHCUZSV-UHFFFAOYSA-N 282.343 3.522 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 611465847 RXWAKHTZRSRFQF-UWVGGRQHSA-N 287.338 3.714 30 20 CHED Cc1nc(-c2ccc([C@H](C)NCCC#N)cc2)cs1 358879764 VVNGLFKZWZVRJK-NSHDSACASA-N 271.389 3.683 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@@H]1c1c(F)cccc1Cl 357536228 UDFWFVGUMUSDFJ-ZANVPECISA-N 287.725 3.714 30 20 CHED CC[C@H]1CCC[C@H]1NCCSCc1ccccc1C#N 539076364 RTQAHTVBJUYPIR-WMLDXEAASA-N 288.460 3.960 30 20 CHED C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C[C@@H](C)C1 611062473 LMSLUGCTNHXJGP-QLFBSQMISA-N 299.418 3.697 30 20 CHED CC(C)N(C)c1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442887313 XSNZAZGPAZTRDW-DZGCQCFKSA-N 257.381 3.635 30 20 CHED CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C 533325044 OEBAZFBMKSVICA-UHFFFAOYSA-N 285.309 3.667 30 20 CHED C=CCC[C@H](NC(=O)NC1(C2CC2)CC1)c1ccccc1 533400377 PJOTYVUYCSNXAM-INIZCTEOSA-N 284.403 3.936 30 20 CHED CC(C)CN(C(=O)C[C@@H]1C[C@@H]1C)c1ccc(C#N)cc1 357944735 ILMIVRZYTVXMPQ-ZFWWWQNUSA-N 270.376 3.593 30 20 CHED C[C@H](NC(=O)NCCCC(C)(C)C)c1cccc(C#N)c1 610354094 SOFFEUJGXKMYKW-ZDUSSCGKSA-N 287.407 3.745 30 20 CHED CC[C@H](CC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612246301 XDSGXPFJPSEPAF-QAPCUYQASA-N 284.403 3.723 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccncc2F)CCCCC1 451517110 IBNRSJCGONAJAM-ZDUSSCGKSA-N 290.382 3.925 30 20 CHED Cc1cc(N2CC(c3cccc(Cl)c3)C2)cc(C#N)n1 450823891 DITHQCKRUGJVGI-UHFFFAOYSA-N 283.762 3.519 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(F)cccc2SC)C1 617780489 WGEIFOMXXSAEHT-LBPRGKRZSA-N 293.407 3.976 30 20 CHED CC(C)(C#N)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 611617897 OBSIPZITWTVEHG-UHFFFAOYSA-N 287.241 3.575 30 20 CHED C=CCN(C(=O)[C@H](C)c1nc(C)cs1)c1ccccc1 615001266 CVKFMPZLPKHNGP-CYBMUJFWSA-N 286.400 3.774 30 20 CHED Cc1cccc(C2(NCC3(C#N)CC3)CCCC2)c1 537249586 SKJGQYNYVZZKDJ-UHFFFAOYSA-N 254.377 3.658 30 20 CHED CC(C)CN(C(=O)NCC(C)(C)CC#N)C1CCCC1 459261347 RJJJFUKSLRPDSH-UHFFFAOYSA-N 279.428 3.536 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2)o1 610502395 OIDIGGRQCZLGOE-ZDUSSCGKSA-N 298.342 3.740 30 20 CHED N#CCCCCN[C@@H]1CCCCc2cc(C#N)ccc21 360841960 UTRCOVJJURRRGZ-QGZVFWFLSA-N 267.376 3.609 30 20 CHED CN(Cc1csc(Br)c1)[C@@H]1CC[C@@H](C#N)C1 278750923 WZVDKRKONDNLEA-MWLCHTKSSA-N 299.237 3.635 30 20 CHED Cc1cc(OC(=O)CC(C)(C)C#N)ccc1Br 278290606 CPBXRKSWNJPPML-UHFFFAOYSA-N 296.164 3.603 30 20 CHED C=CCC[C@@H](C(=O)NCc1cc(CC)no1)c1ccccc1 547962184 XFKSBLQIUQTXEL-QGZVFWFLSA-N 298.386 3.603 30 20 CHED C=CCCOCc1nc(-c2cccc(CSC)c2)no1 612928140 HZRNIFGHARLGSQ-UHFFFAOYSA-N 290.388 3.692 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](CC(C)C)C2)c1 456005524 PGKRXVNGLOSGBK-AWEZNQCLSA-N 285.391 3.767 30 20 CHED C=CCCN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 548731647 YGCWLSDZNMKQAM-DOMZBBRYSA-N 265.784 3.678 30 20 CHED Cc1cc(C)cc(C2=CCN(C(=O)CC(C)(C)C#N)CC2)c1 278867745 ZBJNFNDCNGXGRC-UHFFFAOYSA-N 296.414 3.859 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CCC)C(C)(C)C 453211544 KUHPPKWKZNHJSI-ILXRZTDVSA-N 253.430 3.772 30 20 CHED CCCCCCCCNC(=O)/C=C/c1nnc(C(C)C)o1 270043160 LCBDYNQLTUCLEK-ZHACJKMWSA-N 293.411 3.683 30 20 CHED N#Cc1ccc(CNC(=O)CCCC2CCCC2)cc1F 456841880 QSQWYPIONYGWFA-UHFFFAOYSA-N 288.366 3.674 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 453256860 NHJXKGDYCBZAIE-OAHLLOKOSA-N 287.319 3.807 30 20 CHED CCCCN(C)c1ccc(NC(=O)CC(C)(C)C#N)cc1 278730145 NJABOTOHDYPFSF-UHFFFAOYSA-N 287.407 3.801 30 20 CHED CC[C@H](C)N(C)C(=O)Nc1ccc(CC#N)cc1Cl 455711267 YHGZMEWZQHCBND-JTQLQIEISA-N 279.771 3.668 30 20 CHED N#Cc1cccc(Sc2nc3cc(F)ccc3o2)c1 467790037 TXHXDCVDRWYHCG-UHFFFAOYSA-N 270.288 3.990 30 20 CHED C=C(Cl)CNC(=O)c1cccc(-c2ccccn2)c1C 371076362 UDLZUEAVXFJPEH-UHFFFAOYSA-N 286.762 3.539 30 20 CHED C=CCCN(C)Cc1csc(-c2ccc(OC)cc2)n1 467287707 CQFGPJFERRUHKY-UHFFFAOYSA-N 288.416 3.827 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1ccccc1Cl)C1CCCC1 468876291 GPBNEVNSQRKHSL-LBPRGKRZSA-N 290.794 3.771 30 20 CHED C=CCC[C@@H](NCc1cccc(O)c1)c1ccco1 286183681 QWWCHJBRAOYIIF-OAHLLOKOSA-N 257.333 3.782 30 20 CHED CCCn1ccc2ccc(NC(=O)[C@@](C)(C#N)CC)cc21 286098897 MLWHNUABWAYIMR-QGZVFWFLSA-N 283.375 3.930 30 20 CHED N#Cc1cccc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)c1 285536841 FSZYVQDBTVSERM-QGZVFWFLSA-N 294.402 3.693 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1cc2ccccc2s1 465224688 KFVAIEUKFJQBRI-GHMZBOCLSA-N 274.389 3.836 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc2c1CCCC2 468261469 LUSHGPSMSSBLQG-GOSISDBHSA-N 287.403 3.733 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(OCCN(C)C)cc1 467405615 QRBXCERMPZTZCL-DOTOQJQBSA-N 290.451 3.632 30 20 CHED N#Cc1ccnc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 283932111 XNTKKNUHWJCLDA-GDBMZVCRSA-N 299.761 3.549 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccccc1F 280933062 VKZSZRLLLKNWGX-JQFCIGGWSA-N 277.383 3.848 30 20 CHED C=CCNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 460816116 QLZRDZFNVXWALD-GOSISDBHSA-N 279.383 3.705 30 20 CHED COc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1C 558500108 FBBNCKFOBKWLQA-SFHVURJKSA-N 292.382 3.652 30 20 CHED C[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1C#N 383356403 QMRMCVRKOMPDNZ-YGRLFVJLSA-N 293.208 3.599 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC 460934340 RVLFYCCDINJDNW-KBPBESRZSA-N 276.428 3.602 30 20 CHED CCCCN(C(=O)c1ccc(C#N)c(Cl)n1)[C@@H](C)CC 283163979 VVNFHHVASROLFD-NSHDSACASA-N 293.798 3.647 30 20 CHED CCCCOc1cccc(NC(=O)[C@](C)(C#N)CC)c1 285117538 NFBQUMIBXFCCMM-INIZCTEOSA-N 274.364 3.744 30 20 CHED CC(C)c1ccoc1C(=O)NC1(c2cccc(C#N)c2)CC1 284325858 WGWIZFBHQMFYFV-UHFFFAOYSA-N 294.354 3.694 30 20 CHED CCN(CC1(SC)CC1)[C@@H](C)c1ccc(C#N)cc1 289003753 FAUOKCFRLSJYLT-ZDUSSCGKSA-N 274.433 3.837 30 20 CHED C=CC[C@@H]1N(C(=O)CSCCC)CCCC1(C)C 470272523 HHIKAKGFNQONLB-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED CC#CC(=O)Nc1cccc(CSC2CCCC2)c1 801159640 NLXFGZGIGMQWSS-UHFFFAOYSA-N 273.401 3.824 30 20 CHED CC1(Cc2noc(Cc3ccccc3CC#N)n2)CCCC1 809534416 ILHUXKSSLCGPPR-UHFFFAOYSA-N 295.386 3.849 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 296144853 JFJPUSPEZLXHDY-HUUCEWRRSA-N 283.375 3.601 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCC1(C)CC1 472218689 DCFDDMMQQZJYCQ-UHFFFAOYSA-N 286.419 3.965 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)C2C(C)(C)C2(C)C)CC1 474712604 NMWGDPDGKKRDKL-AWEZNQCLSA-N 278.484 3.687 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F 803454336 NPTQSTBWZIYIDV-CQSZACIVSA-N 299.273 3.519 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(Cl)c2ncccc12 802218537 DYTMOCHARCXNGW-SNVBAGLBSA-N 288.734 3.737 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 479256151 YQELXNLGKUSRQS-UHFFFAOYSA-N 297.354 3.797 30 20 CHED C=CCCCC(=O)OCc1cc2c(cc1Cl)OCCO2 808523926 XMVBMNXBISDMLB-UHFFFAOYSA-N 296.750 3.511 30 20 CHED C=CCCCN[C@H]1c2ccccc2CC12CCOCC2 290062821 FGGQMKNQVLDVGU-KRWDZBQOSA-N 271.404 3.636 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1ccccc1C)C2=O 809157512 TXZTZXQZUZNDJY-LCYFTJDESA-N 282.314 3.965 30 20 CHED C#C[C@@H](NC(=O)C1(c2ccccc2C)CCC1)C(C)(C)C 807882231 LFPYXYAUVDCJAH-MRXNPFEDSA-N 283.415 3.581 30 20 CHED C=CC[C@@H](CC)NCc1nc(C(C)C)n2ccccc12 569726039 ANSQMKPSFGWQHF-CQSZACIVSA-N 271.408 3.902 30 20 CHED C#C[C@@H](NC(=O)/C=C\CCC)c1ccc(Cl)cc1F 804416397 FNKOAKLOFSCEFQ-LMVHVUTASA-N 279.742 3.626 30 20 CHED C=CCCOCc1nc([C@H]2CCCC[C@H]2CC)no1 645655260 YTXUBLGLXKPGEV-OLZOCXBDSA-N 264.369 3.846 30 20 CHED CCCOC1(CNc2snc(C)c2C#N)CCCCC1 561263497 VCCYREZXWJZLAF-UHFFFAOYSA-N 293.436 3.865 30 20 CHED CCCCCCCC(=O)OCC1CCC(=O)CC1 803285112 KFBQCMSXDREBIO-UHFFFAOYSA-N 254.370 3.649 30 20 CHED Cc1ccncc1CCCN[C@@H](CCC#N)c1ccccc1 290509333 WXLUHYPYEUOWGN-IBGZPJMESA-N 293.414 3.957 30 20 CHED COc1cccc2c1N(Cc1ccc(C#N)s1)CCC2 569255848 IEZNUEFSHRJFQU-UHFFFAOYSA-N 284.384 3.581 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(Cl)cc1C 810543137 WTCQZJIPEKYOLP-UHFFFAOYSA-N 283.758 3.811 30 20 CHED C[C@@H](CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)C1CC1 813215520 HQTNGHTWBRYICT-JOYOIKCWSA-N 296.292 3.713 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC(CC)CC1 568037532 BBVGSPFICMPIFS-UHFFFAOYSA-N 276.428 3.604 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnc(C(C)(C)C)s1 488823525 YQAZZBITDAZCDW-LLVKDONJSA-N 278.421 3.621 30 20 CHED C[C@@H](Nc1cc(C#N)ncn1)c1ccccc1C(F)(F)F 568962863 NVORDLXJHVDXHO-SECBINFHSA-N 292.264 3.540 30 20 CHED CC(=NOC1CCC1)c1ccc(-c2ccc(C(=O)O)o2)cc1 812235184 AALKFDMUHGXIQB-UHFFFAOYSA-N 299.326 3.938 30 20 CHED Cc1nnsc1C=NNc1cc(Cl)ccc1Cl 814222953 XYJAVANFIPVFFR-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C[C@H](NCC#Cc1ccc(F)cc1)C1CCCCC1 564288113 XKZQQDNZIFLPPN-AWEZNQCLSA-N 259.368 3.736 30 20 CHED c1ccc(C[C@H]2CCC(=NNc3ccccn3)C2)cc1 814731927 PJPCNHKDABUTLI-OAHLLOKOSA-N 265.360 3.892 30 20 CHED C=CCSc1ccccc1C(=O)NCCOCCCC 485462674 GGRLOZGYUVLHOR-UHFFFAOYSA-N 293.432 3.511 30 20 CHED CCC(=NNc1ccc(C)c(C(=O)OC)c1)c1ccco1 814937571 LKLNNSGVTHJKNP-UHFFFAOYSA-N 286.331 3.601 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1sccc1C 488813445 HSMIIJZFNCTGCU-RDBSUJKOSA-N 275.417 3.727 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2cccc(F)c2C#N)c1C 489020551 WYKBOMLYEPABIA-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED Cc1sccc1C=NNc1ncccc1Cl 814810473 NXMVCYZVMQVXIE-UHFFFAOYSA-N 251.742 3.551 30 20 CHED COc1cccc([C@H](C)C(=O)Nc2ccccc2CC#N)c1 577097426 NRQUUKGGDIHMTH-ZDUSSCGKSA-N 294.354 3.503 30 20 CHED CC(C)(CC(=O)[C@@H](C#N)c1cnc2ccccc2n1)C1CC1 816045533 OTDKWIOJGDHIMM-ZDUSSCGKSA-N 293.370 3.632 30 20 CHED C#Cc1ccccc1CC(=O)Nc1c(C)cccc1CC 812823166 ZNFZOZCCTPXHGY-UHFFFAOYSA-N 277.367 3.720 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1cc(C)cc(C)c1 488815785 LOICHWKKHIHFEM-KRWDZBQOSA-N 271.404 3.803 30 20 CHED Cc1cc(Cl)cc(C=NO[C@H]2CCCCO2)c1 814888124 QFYKXUOUZHDHIQ-ZDUSSCGKSA-N 253.729 3.526 30 20 CHED C=CCn1cccc1C(=O)Nc1nccc2sccc12 489952333 LUBYPWYBPOSKFY-UHFFFAOYSA-N 283.356 3.536 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(C#N)c(F)c1 812243528 OAAMLVRRAZGSFC-XQRVVYSFSA-N 299.276 3.741 30 20 CHED COC(=O)c1ccccc1NN=C1CCC[C@H]1C(C)(C)C#N 814894750 RAIIKCJBXUUDTR-CYBMUJFWSA-N 299.374 3.591 30 20 CHED C#Cc1cncc(C(=O)N(C(C)C)[C@H](C)c2ccsc2)c1 817486201 XKCMEWHCEIJCCT-CYBMUJFWSA-N 298.411 3.736 30 20 CHED N#Cc1cc2ccccc2nc1N1CCC(C2CC2)CC1 813617959 IKVJBKIJECGBDL-UHFFFAOYSA-N 277.371 3.733 30 20 CHED CC1(C)CC[C@@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 573354416 PFTSTGQYIWMOPW-CYBMUJFWSA-N 288.366 3.899 30 20 CHED C=CC[C@H](NC(=O)C1CCC=CCC1)c1ccncc1 820017734 DVMDWLFBGTZRGU-INIZCTEOSA-N 270.376 3.561 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3scnc3c2)C1 824971958 CHRIKOXFHRPHIH-GFCCVEGCSA-N 286.400 3.725 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 820635148 IKMBZEHVDHYZTQ-XJKSGUPXSA-N 290.382 3.720 30 20 CHED N#Cc1ccc(-c2ccn(Cc3cccc(F)c3)n2)cc1 728710956 RIYBSJSQXDLEMU-UHFFFAOYSA-N 277.302 3.609 30 20 CHED C=C(C)COc1cccc(NC(=O)/C(C)=C\CC)c1 727330234 AQWYRYFIYUAISF-QPEQYQDCSA-N 259.349 3.936 30 20 CHED C=C(Br)COC(=O)C[C@H](C)CC(C)C 727879927 BMCOOESICAJURS-SECBINFHSA-N 263.175 3.511 30 20 CHED CCC[C@H](/N=C\c1cc(OC)ccc1O)c1ccccn1 729148538 BPIHIDQSNSMHKJ-CCRNYGKSSA-N 284.359 3.756 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(C#N)c1 902843294 NTJPYIXPURVNNG-XDNAFOTISA-N 284.403 3.557 30 20 CHED C=CCC[C@H](NCc1cc(N(C)C)ccn1)c1ccco1 903198880 QUCAZSCOTYFOPA-INIZCTEOSA-N 285.391 3.538 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1cccs1 588386695 XXUBMTGEGFQKCI-HJWRWDBZSA-N 274.341 3.661 30 20 CHED Cc1ccc(C)c(/C=C2/Oc3cc(O)ccc3C2=O)c1 733805168 FJTIPJZOHTXUCT-LZYBPNLTSA-N 266.296 3.625 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccccc2)C1 660219252 DUSFICIWRMKRED-HUUCEWRRSA-N 272.392 3.745 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c1 730435778 BQYZHDPXQDWKJM-XQRVVYSFSA-N 297.310 3.813 30 20 CHED CCS[C@H]1CCCC[C@@H]1NC(=O)CCCCCC#N 588160548 AXCPVVMIDIFQKO-KBPBESRZSA-N 282.453 3.641 30 20 CHED C=CCC1(C(=O)OCc2ccncc2F)CCCCC1 839428952 REHWEYZNJPTMRB-UHFFFAOYSA-N 277.339 3.791 30 20 CHED CCc1ccccc1NN=C(C)[C@@H]1C[C@H]2CC[C@H]1O2 834942330 YYAMPCGKLPMAIY-IJEWVQPXSA-N 258.365 3.604 30 20 CHED CC(C)(C)CN(CC(F)(F)F)C(=O)CCCCCC#N 588923875 SHPLZNLILYHVCZ-UHFFFAOYSA-N 292.345 3.897 30 20 CHED CSCc1ccc(NC(=O)CCCCCC#N)cc1 588156041 SQIVAUUFECTOKX-UHFFFAOYSA-N 276.405 3.962 30 20 CHED N#CCCCCCC(=O)Nc1ccccc1OCC1CC1 588755365 HMJYQNVLUVUHTJ-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CC(C)(C)C#CC(=O)Nc1nc(-c2ccccc2)cs1 837315151 NGOMILKWQFLVHT-UHFFFAOYSA-N 284.384 3.798 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)COc2ccc(F)cc21 731565226 IFMOQLDDSOCORD-YHYXMXQVSA-N 290.240 3.763 30 20 CHED C=CCC1(CNCc2cc(C(=O)O)c(C)o2)CCCC1 902267740 IISVIZLZCXMSQN-UHFFFAOYSA-N 277.364 3.512 30 20 CHED O=C(/C=C\c1sccc1Cl)c1cncc(F)c1 588601107 HDYQWADDFKMZFK-UPHRSURJSA-N 267.712 3.832 30 20 CHED C#CCC[C@H](C)OC(=O)Cc1scnc1-c1ccccc1 839041246 UNMYYXYYEXXDON-ZDUSSCGKSA-N 299.395 3.698 30 20 CHED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C#CC(C)C 830058976 UDLOILJABAMDPU-INIZCTEOSA-N 298.430 3.972 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[C@@H]1F 580208017 ARONLHROMBZFCY-CMPLNLGQSA-N 272.245 3.880 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2F)C1 830100539 ZXHUTPFLXTTYOJ-AWEZNQCLSA-N 288.366 3.596 30 20 CHED C[C@@H](CNCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 589174711 WYYLLELVDQFRMM-NSHDSACASA-N 284.325 3.948 30 20 CHED N#CCCCCOC(=O)[C@H]1CCC[C@@H]1c1ccccc1 835160589 XOKUTTQIQYBTQL-CVEARBPZSA-N 271.360 3.807 30 20 CHED Cc1ccc(C=NNCCCOc2ccccc2)cc1F 731487209 OITXWRYDWSZOIU-UHFFFAOYSA-N 286.350 3.527 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)C1[C@@H]2CCCCCC[C@@H]12 596744292 QMOCSVVEJYZQLS-IAGOWNOFSA-N 296.414 3.733 30 20 CHED CCCCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 916645454 WXXSCUNMTNQFPJ-UHFFFAOYSA-N 279.340 3.687 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(C#N)c1 590085384 DSYJWUDKXRDPAA-ZDUSSCGKSA-N 285.391 3.521 30 20 CHED Cc1c(NCC(C)(C)C)cccc1C(=O)N(CC#N)C1CC1 599154851 NLUUHTLBGXTDRN-UHFFFAOYSA-N 299.418 3.581 30 20 CHED C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1Cl 912352603 NZBFSEPBRPTESI-SWLSCSKDSA-N 294.826 3.543 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1 742435998 DBKSUZLKPNYKMK-BJMVGYQFSA-N 293.366 3.679 30 20 CHED CS[C@@H]1CC[C@H](/N=C/c2cc3ccccc3nc2O)C1 743043038 PRMBVOYSZZHMFP-KQLQBFTNSA-N 286.400 3.643 30 20 CHED Fc1ccc(CNN=Cc2nccc3ccccc23)cc1F 740760896 PWKOJISBKIAOJF-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C#CCN(C(=O)c1cnc2ccsc2c1)C1CCCCC1 741913229 XQCGUYGWGCTYRM-UHFFFAOYSA-N 298.411 3.704 30 20 CHED C=CCCOCC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 675571397 GJJVRESJBOMOPT-QGZVFWFLSA-N 287.403 3.560 30 20 CHED C=C(C)CCOC(=O)c1cc(OC)ccc1Br 744305207 SURQKPNJNXRCFZ-UHFFFAOYSA-N 299.164 3.581 30 20 CHED Cc1ncsc1/C=C1/Oc2c(Cl)cccc2C1=O 742433845 BOPZOWYMSJVNJE-BJMVGYQFSA-N 277.732 3.721 30 20 CHED Cc1cc(CCCC(=O)N(C2CC2)[C@@H](C)C#N)c(C)s1 598131097 JKRWEMDHUJXYTB-NSHDSACASA-N 290.432 3.591 30 20 CHED CC(=NN=C1c2ccccc2-c2ccccc21)[C@H]1CCOC1 741760394 WJVBWWVADOCTAY-AWEZNQCLSA-N 290.366 3.917 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cc(C#N)cs1 748441477 ZKMIVKBOHWTXBM-GQCTYLIASA-N 283.352 3.833 30 20 CHED N#CC1(C(=O)OCCSc2ccc(Cl)cc2)CCC1 745062804 KZEIAKQPZSDQOH-UHFFFAOYSA-N 295.791 3.669 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1 590672867 DRXQPUIHXBWLLM-HIFRSBDPSA-N 272.392 3.808 30 20 CHED CCCCCCCCC(=O)Nc1cnccc1OC 748207763 KWOMQNACLLAVKE-UHFFFAOYSA-N 264.369 3.779 30 20 CHED CC(C)=CCC/C(C)=C\C=NN=C(C)c1cnccn1 745209431 ZXAOJIMXEZXYRL-QJASMDGZSA-N 270.380 3.964 30 20 CHED COc1cccc(/C=N/[C@@H]2C[C@@H](C)Oc3ccccc32)c1O 840705334 DGMNORUXGAWIMJ-AUBKCTDYSA-N 297.354 3.732 30 20 CHED C=C(C)COC(=O)CCc1ccc(OCCC)cc1 744040579 MBDHTTBXTZLEAV-UHFFFAOYSA-N 262.349 3.527 30 20 CHED C=C[C@H](C)ON=C[C@H](C)Cc1ccc(OC)c(F)c1 844622109 USKMXQLJPOBFPT-NEPJUHHUSA-N 265.328 3.590 30 20 CHED CC(=NN=C1CCC[C@@H]1c1ccc(F)cc1)c1cnccn1 745203576 KCHAAUTVZBNXFO-OAHLLOKOSA-N 296.349 3.748 30 20 CHED C/C=C(/C=C\C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CC 841465876 OEFUYTDDBPROEJ-SZIOVVNTSA-N 294.398 3.964 30 20 CHED C=CCOC(=O)c1ccc(Cl)c(C(F)(F)F)c1 747113126 VLXWGTRVKFELAY-UHFFFAOYSA-N 264.630 3.702 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 590996725 HLROXXUZBGUPNA-RKDXNWHRSA-N 262.378 3.512 30 20 CHED CC(=NN(C)[C@H](C)CO)c1cc2c(ccc3ccccc32)o1 842543822 NQHJHSJCAOGKQU-GFCCVEGCSA-N 296.370 3.623 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12 754869223 SUTKUGTVARUCGS-BZUAXINKSA-N 296.455 3.604 30 20 CHED FC(F)(F)COCCNN=C1CCC(=C2CCC2)CC1 853324995 BCJMCGOQKMOBHV-UHFFFAOYSA-N 290.329 3.565 30 20 CHED CC[C@@H](NCc1ccccc1C#N)c1cc(F)ccc1OC 922624400 ZMAULJLZYGXYEF-QGZVFWFLSA-N 298.361 3.947 30 20 CHED CCCCCCCC(=O)Nc1nc2ccc(Cl)cn2n1 752825030 DXKOCVWFDMXGPD-UHFFFAOYSA-N 294.786 3.682 30 20 CHED Fc1ccc(NN=Cc2cn3cc(Cl)ccc3n2)cc1 920361713 XAZIGQHWIBRIAT-UHFFFAOYSA-N 288.713 3.573 30 20 CHED C=CCC1(NCc2ccc(OCC#N)cc2)CCCCC1 859744923 HPHKBNRXTXQYHP-UHFFFAOYSA-N 284.403 3.958 30 20 CHED CCCn1nccc1/C=C1\CCc2ccccc2C1=O 853001359 PPVDYPOMTWQYIG-WYMLVPIESA-N 266.344 3.506 30 20 CHED C=C[C@H](OC(=O)[C@@H]1CCCCS1)c1ccccc1 851451124 CWERQIQZMMMVGH-KBPBESRZSA-N 262.374 3.743 30 20 CHED C#C[C@@H](CC)NC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 753244230 YZRLTFFMQPFFTG-ZFWWWQNUSA-N 298.386 3.937 30 20 CHED C[C@H](NN=Cc1cn2cc(Cl)ccc2n1)c1ccccc1 920382768 OCIKXVMJVUCHOA-LBPRGKRZSA-N 298.777 3.672 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(F)ccc1C#N 759363901 SBVLCQAVOMYDLX-UHFFFAOYSA-N 273.307 3.509 30 20 CHED CCn1ccnc1SCC#Cc1ccc(Cl)cc1 754273105 LWIFSAMVNNFHSS-UHFFFAOYSA-N 276.792 3.700 30 20 CHED C=CCOC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 752168486 MYQSLDUGOIPPGB-GFCCVEGCSA-N 272.266 3.928 30 20 CHED C=CCCOCC(=O)N1CCCc2cc(C(C)C)ccc21 920738742 WPNQTCRLWKIJAW-UHFFFAOYSA-N 287.403 3.682 30 20 CHED C[C@@H](NN=C1[C@@H]2CCC[C@@H]2C1(C)C)c1ccncc1 853358482 ATMGRMNCDSETBI-BNOWGMLFSA-N 257.381 3.544 30 20 CHED CC(=NN=C1CC[C@H](C)c2ccccc21)c1cnccn1 752730847 FXLMRZSDVCQLEW-LBPRGKRZSA-N 278.359 3.587 30 20 CHED CCCCCCCC(=O)NCc1cc(COC)cs1 855780433 XKXDTUKZAQAUTH-UHFFFAOYSA-N 283.437 3.871 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)CC1CC(OCC)C1 851145081 VFPCHAIGRGDUAR-GRAKBVBRSA-N 280.408 3.870 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1O[C@H](C)C(F)(F)F 854482661 AMEMDFJREGKHHK-LLVKDONJSA-N 299.292 3.614 30 20 CHED CCCCCCCN[C@@H](COC)c1ccc(C)o1 754344333 NLKFBWLNRVICLB-AWEZNQCLSA-N 253.386 3.836 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)COc2c(F)cccc21 759077955 XQAPYEDRCOUCCG-DAXSKMNVSA-N 295.722 3.594 30 20 CHED C[C@@H](CC(=O)OCC1(CC#N)CC1)c1ccc(F)cc1F 752509797 VMTCQALMCSBYLH-NSHDSACASA-N 293.313 3.695 30 20 CHED C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(F)cc1 758687597 OPIFIBWPZGNNCX-GFCCVEGCSA-N 283.302 3.810 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)co1 752886177 IDALUMCNGZRJQO-VMPITWQZSA-N 286.287 3.602 30 20 CHED C#CC[C@@H](NC(=O)c1cc(C)c(C)s1)c1ccccc1 757580125 PCUGQRBBAITPHZ-OAHLLOKOSA-N 283.396 3.859 30 20 CHED CCCCCCCCC(=O)N1CCN(CC(C)C)CC1 935622099 DWRINNLBJXOLSJ-UHFFFAOYSA-N 282.472 3.537 30 20 CHED CCCC(Cc1ccccc1)=NOCC(F)(F)F 764846487 JCZLPIRHIJADNC-UHFFFAOYSA-N 259.271 3.964 30 20 CHED COc1ccsc1C=NNc1cc(C)ccc1C 764663269 RVJGUDKUVLEHLB-UHFFFAOYSA-N 260.362 3.820 30 20 CHED COc1ccc(C=NNc2cc(F)c(F)c(F)c2)s1 763178948 IHYOFPOMHFPEPR-UHFFFAOYSA-N 286.278 3.620 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OC(C)C)cc2F)CC1 930046520 FVRQMYZIBIXDDT-UHFFFAOYSA-N 292.354 3.797 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245749119 XCVXPKKTUNEWOH-LVQVYYBASA-N 276.424 3.601 30 20 CHED N#Cc1ccc(C2CCN(CCC(F)(F)F)CC2)cc1 933613161 WXKKVHSRDKGCPG-UHFFFAOYSA-N 282.309 3.690 30 20 CHED c1ccc(COCCCNN=C2CCC23CCC3)cc1 863177453 MASRXFRAIIPDHZ-UHFFFAOYSA-N 272.392 3.503 30 20 CHED Cc1cc(C=NNc2ccccc2F)cnc1Cl 760239335 KAWCKHGXPHQQPS-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C[C@H](Nc1ccc(F)c([C@@H](C)O)c1)c1cccc(C#N)c1 864012701 YEJDYYYUJQVZHS-NWDGAFQWSA-N 284.334 3.924 30 20 CHED C#CCN(Cc1c(Cl)oc2ccccc12)C1CC1 764684291 WSLOXAZRWXSDAB-UHFFFAOYSA-N 259.736 3.684 30 20 CHED CC#CCCCC(=O)OCc1cc(Cl)ccc1OC 767097555 ZVJMSTWCYDLPAQ-UHFFFAOYSA-N 280.751 3.585 30 20 CHED CCC[C@H](C#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 765358175 DQDQCYIFIRIYBU-YSSOQSIOSA-N 276.424 3.958 30 20 CHED C=CCOCSc1nnc(-c2cccs2)n1C1CC1 865347929 VCUXRVLPXMCZFW-UHFFFAOYSA-N 293.417 3.594 30 20 CHED C=CCCC(=O)COC(=O)CCCc1cc(C)sc1C 761416939 NUDSFVQKDOMBNY-UHFFFAOYSA-N 294.416 3.766 30 20 CHED COc1cc(Br)ccc1N[C@@H]1CC[C@H](C#N)C1 866489744 BKEYHZSFBLOTBY-GXSJLCMTSA-N 295.180 3.562 30 20 CHED Fc1ccc(NN=Cc2c[nH]c3cccc(F)c23)cc1 763340374 WASYESUATQRJCF-UHFFFAOYSA-N 271.270 3.892 30 20 CHED COc1ccc(C=NNc2ccc3ccccc3n2)s1 763115818 FGVUXNBPOPZPLX-UHFFFAOYSA-N 283.356 3.751 30 20 CHED FC(F)(F)c1cccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)n1 762421923 KWZRBICWFPCHHE-GARJFASQSA-N 283.297 3.934 30 20 CHED N#Cc1ccc(-c2ccn(CCc3ccccc3F)n2)cc1 762206170 HAECDUGMBFOPCZ-UHFFFAOYSA-N 291.329 3.804 30 20 CHED N#Cc1ccc2[nH]cc(C=NNc3ccc(Cl)nc3)c2c1 760259627 GASIHOQWNUGXHZ-UHFFFAOYSA-N 295.733 3.534 30 20 CHED CCC[C@@H](C(=O)OCc1cccc(C#N)c1)C(C)C 763846776 DFYGOQYXEDONCR-OAHLLOKOSA-N 259.349 3.674 30 20 CHED C=CCC(CC=C)C(=O)O[C@H]1CCOc2ccccc21 764359419 CGVJJBIYXDFRLW-INIZCTEOSA-N 272.344 3.822 30 20 CHED CC(C)C#CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 1118640824 SLWFPMWFDSQVRW-QGZVFWFLSA-N 289.806 3.957 30 20 CHED C#C[C@H](C)N(C)C(=O)c1oc2c(ccc3ccccc32)c1C 767259133 MKJIJOPFPZXPGT-LBPRGKRZSA-N 291.350 3.988 30 20 CHED C[C@H](CCC#N)CNc1ccc(OCC2CC2)cc1 876826470 VSYBQJFTRPSODM-CYBMUJFWSA-N 258.365 3.827 30 20 CHED CC(C)c1nccnc1NN=C1c2ccccc2C[C@@H]1C 773079425 ZHGOTBDZXWDWRC-LBPRGKRZSA-N 280.375 3.608 30 20 CHED C[C@H](C(=O)OCCC(C)(C)C#N)c1cccc(Cl)c1 776388792 ATJSQWULMAGQSH-NSHDSACASA-N 279.767 3.927 30 20 CHED C#CC[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccccc1 775401535 UKAWWPBLASHFNP-QZTJIDSGSA-N 299.801 3.728 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@H]1CCO 779536368 MVBHGGTYYHCNMS-CVEARBPZSA-N 298.471 3.539 30 20 CHED Fc1cc(F)c2c(c1)C(=NOCCC(F)(F)F)CC2 777458651 JQISBJCKGCQRMT-UHFFFAOYSA-N 279.208 3.584 30 20 CHED C=C(CC)COC(=O)c1cc(C)sc1Br 773536068 OUVJAFKLDYYVPB-UHFFFAOYSA-N 289.194 3.942 30 20 CHED CC(C)(C#N)CCN1CCC(c2cccc(F)c2)CC1 776592599 QQOIXCFBZLZBBR-UHFFFAOYSA-N 274.383 3.945 30 20 CHED CN(CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1F 888354242 SVSNBRVWNLVKEN-UHFFFAOYSA-N 289.354 3.741 30 20 CHED COc1ccc2oc(C=NN[C@H]3C[C@H]4CC[C@H]3C4)cc2c1 774593430 NHYLOHWJOXMJGT-MKBNYLNASA-N 284.359 3.554 30 20 CHED CC(C)(C)OC(=O)N[C@@H]1CCCC1=NOC1CCCCC1 777457151 MZGCGOFQFQXDBI-CYBMUJFWSA-N 296.411 3.769 30 20 CHED CC(C)=CCOc1cccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c1 1122717901 PFAXQNHSEDDWRJ-WMLDXEAASA-N 299.370 3.881 30 20 CHED C[C@H](CCCC#C[Si](C)(C)C)OC(=O)c1cscn1 1123247651 QMOIKPMCGBGAPA-GFCCVEGCSA-N 295.480 3.740 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)[C@@]1(C)CCCO1 782242656 JGYSKWNKBDRLJD-CYBMUJFWSA-N 270.735 3.836 30 20 CHED CCCn1c(C(=O)OC2(C#N)CCC2)cc2ccccc21 786959436 LHBLKXZOPUNYFP-UHFFFAOYSA-N 282.343 3.654 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cscc1Cl 782285184 BLKGZCARDPODHU-NSHDSACASA-N 256.802 3.904 30 20 CHED CSc1ccccc1CC(C)=NOCC(C)C 782906785 DBMVIWZFWFCLSR-UHFFFAOYSA-N 251.395 4.000 30 20 CHED C[C@@H](C=NNc1ccccc1C(=O)O)Cc1ccccc1 783817738 YAWKXANJWAKKIA-CYBMUJFWSA-N 282.343 3.661 30 20 CHED Cc1cc(C)c(COC(=O)c2cc(C#N)cs2)c(F)c1 785923579 NFXSTVMNCJICMV-UHFFFAOYSA-N 289.331 3.733 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)cs2)cc1 782097147 HCPSIXDMBZEMLM-UHFFFAOYSA-N 281.724 3.756 30 20 CHED Cc1cccnc1C=NNCc1ccc(C(F)(F)F)cc1 781590341 XZMYPXVLWHHKCD-UHFFFAOYSA-N 293.292 3.533 30 20 CHED C#CCCCCCC(=O)N[C@H](CC(F)(F)F)C(C)C 782948963 HHEOXHAYUSMGFQ-GFCCVEGCSA-N 277.330 3.663 30 20 CHED CCCCCCCOC(=O)c1coc(CCC)n1 786498930 BQHNCVTZYYRZRO-UHFFFAOYSA-N 253.342 3.754 30 20 CHED C#CC[C@@H](NC(=O)Cc1ccccc1CC)c1ccccc1 785596701 CZPBMHFREVQNCM-LJQANCHMSA-N 291.394 3.672 30 20 CHED CCCCCCCC(=O)Nc1cnn(C)c1C(F)(F)F 782825911 ZUGCVJLRMHOHBH-UHFFFAOYSA-N 291.317 3.738 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)[nH]1)c1cc2ccccc2o1 786476337 QWXXZARLNFFGFW-JTQLQIEISA-N 280.283 3.551 30 20 CHED Cc1cc(COC(=O)c2cc3ccccc3[nH]2)ccc1C#N 781867704 KSKGAYGXYAYNEQ-UHFFFAOYSA-N 290.322 3.705 30 20 CHED CC(C)CCC[C@H](C)NC(=O)Nc1ccc(C#N)cc1 514100920 BRCBHHUWDKFSKH-ZDUSSCGKSA-N 273.380 3.895 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H]1CC2(CCC2)C(=O)O1 791568635 PQRDKYFRLHOLLC-QGZVFWFLSA-N 299.414 3.551 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 793537713 YRVYUXNOQQVINE-JJXSEGSLSA-N 265.441 3.915 30 20 CHED CC(=NNc1cncnc1)c1cc2cc(Cl)ccc2o1 794976989 VKZCSYUIFJQRKK-UHFFFAOYSA-N 286.722 3.712 30 20 CHED CCC1(CC)CCCN(C(=O)C2(C#N)CCCCC2)C1 598216763 YBGMIXQWGVRCFI-UHFFFAOYSA-N 276.424 3.889 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1ccc(C#N)cc1Cl 794947866 AQSAGSVDXSOTEP-XQRVVYSFSA-N 299.761 3.885 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@@H]1CCO[C@@H]1C 793429040 LGPFCUJDUGEUCP-OLZOCXBDSA-N 292.400 3.547 30 20 CHED COCCN(C)N=C(C)Cc1ccc(-c2ccccc2)cc1 794966510 RUSQIRZVDZXLPS-UHFFFAOYSA-N 296.414 3.850 30 20 CHED CCc1cccc2c1OC/C(=C/c1cccc(O)c1)C2=O 794724087 NZYRMVMCAWODRT-ZROIWOOFSA-N 280.323 3.613 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2cc(C)cc(C#N)c2)C1 1206296594 CLPSMTZWFSVOLA-DZGCQCFKSA-N 285.391 3.957 30 20 CHED C#CCCCCC(=O)NCc1ccc(C(C)C)cc1 692858244 QVKHFACOVDAWGT-UHFFFAOYSA-N 257.377 3.620 30 20 CHED CO[C@@H]1CCC[C@H](CC(=O)OCCCCC(C)(C)C#N)C1 796063597 RJTIWBYRTQQVKV-LSDHHAIUSA-N 295.423 3.845 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1ccc(Cl)cc1 796968845 NNFWDPZFTMDDHP-DAXSKMNVSA-N 290.702 3.616 30 20 CHED CC(Cc1ccc(C(F)(F)F)cc1)=NNc1cncnc1 794978236 CSGKITNVKAHQFI-UHFFFAOYSA-N 294.280 3.526 30 20 CHED Cc1cccnc1NN=C1CCCc2cc(F)ccc21 790190305 IVJZGRWTMNTABE-UHFFFAOYSA-N 269.323 3.682 30 20 CHED C[C@H]1C[C@@H](NCc2ccc(OCC#N)cc2)CC[C@H]1C 85055010 KCPXWBQZMDVBHF-YCPHGPKFSA-N 272.392 3.503 30 20 CHED C[C@@H](CCNCc1cc(C#N)cs1)c1ccccc1 93492585 LFNACEAQPLSEBA-ZDUSSCGKSA-N 270.401 3.903 30 20 CHED CCCCc1ccc([C@@H](NC[C@H](O)CC#N)C(C)C)cc1 1307594277 RMNGXFXVDKHCNU-MSOLQXFVSA-N 288.435 3.590 30 20 CHED CC(C)c1ccc(O[C@@H](C)CNc2cccc(C#N)n2)cc1 1163260065 FEOKNXUMTZLCMC-AWEZNQCLSA-N 295.386 3.956 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cnc(C(C)C)[nH]1 1318858857 ASYFNROPASLIBP-UHFFFAOYSA-N 289.423 3.742 30 20 CHED COc1cc(C#N)ccc1CSCc1cc(C)ccn1 1321837860 GCZMIWDONGYQQW-UHFFFAOYSA-N 284.384 3.704 30 20 CHED CCC[C@@](C)(CC)c1nnc(COc2ccc(C#N)cc2)o1 1329294859 CLHYQHJRQVYWKJ-QGZVFWFLSA-N 299.374 3.988 30 20 CHED C#CC1CCN(C(=O)N[C@H](CCC=C)c2ccccc2)CC1 1326284712 YUAHHMYUYCXHNK-GOSISDBHSA-N 296.414 3.749 30 20 CHED COc1cc(NC(=O)/C=C(\C)C(C)(C)C)c(F)cc1C#N 1331485703 ZXCSODAKCBVTFE-UXBLZVDNSA-N 290.338 3.637 30 20 CHED N#Cc1ccnc(CSc2cccc(Cl)c2)c1 1559367903 ZFLCQPAZCWKMKO-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)CC#Cc2ccccc2)C1 1252962159 DZHGTVSJRVVNHG-NVXWUHKLSA-N 269.388 3.513 30 20 CHED C=C(CNC(=O)NCC(C)(C)C(C)C)c1ccccc1 1251694658 LKAVFISFKGXJPF-UHFFFAOYSA-N 274.408 3.681 30 20 CHED C=C(C)CCC(=O)N[C@H](CC)c1cc(F)ccc1OC 1336088475 SRQNKXQKNWDLJJ-CQSZACIVSA-N 279.355 3.758 30 20 CHED C=CC[C@H](C(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1263380921 FHJHDANLTYEQKS-LSDHHAIUSA-N 294.329 3.757 30 20 CHED C=C[C@@H](CC)CC(=O)OCCC(F)(F)C(F)(F)F 1263610749 ZEQHWYBVMWZBLS-QMMMGPOBSA-N 274.229 3.720 30 20 CHED C=C(C)C(C)(C)c1nnc(-c2ccc(OC)cc2)o1 1261572379 KRKFSVKZWRGFDT-UHFFFAOYSA-N 258.321 3.599 30 20 CHED N#C[C@H](C(=O)C(C1CCC1)C1CCC1)c1cccc(F)n1 1344042820 BWSJCVMWPPRRGE-ZDUSSCGKSA-N 286.350 3.613 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC2(CCCCC2)C1 1459545490 ABHFSNMEPRKEJP-INIZCTEOSA-N 254.377 3.907 30 20 CHED C=CC[C@@H]1CC[C@H](NC[C@@H](CC2CCCC2)C(=O)O)C1 1602851133 AROXEELSMCIYEL-BMFZPTHFSA-N 279.424 3.602 30 20 CHED N#Cc1ccc(S[C@@H](C(=O)O)c2ccccc2F)cc1 1601113833 WOQCCRVGESSPDK-CQSZACIVSA-N 287.315 3.615 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1c(F)cc(C#N)cc1F 226125628 RQYIBORLHAHVED-OLZOCXBDSA-N 282.359 3.923 30 20 CHED Cc1nsc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c1C#N 1472717886 YJEFHVVXYLUFLI-JOYOIKCWSA-N 263.410 3.950 30 20 CHED CC[C@@H](C)Oc1cc(Oc2ccc(C#N)cc2)nc(C)n1 1639213765 QOFWNWXTTRMECU-LLVKDONJSA-N 283.331 3.626 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cccc([N+](=O)[O-])c1 229690668 RYJJSTZJZQKANV-GFCCVEGCSA-N 275.352 3.575 30 20 CHED Cc1ncccc1CCNc1nc(C(C)(C)C)ccc1C#N 1640510586 JRMAEXNGKURORD-UHFFFAOYSA-N 294.402 3.609 30 20 CHED C=CCC[C@@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1 230663520 TZWJOPZFCOMMBU-WLYUNCDWSA-N 296.455 3.767 30 20 CHED C=C(C)CNCc1ccc(OC(F)F)cc1OC(F)F 122521304 QVBSIMFRSGYGOC-UHFFFAOYSA-N 293.260 3.555 30 20 CHED CCc1nc(C#N)cc(Nc2cccc(C3CCC3)c2)n1 1651898202 UAWZDDYNUMTIQF-UHFFFAOYSA-N 278.359 3.922 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(F)c(C(=O)O)c2)cs1 1777418053 UZVIAIPPKDKATL-HWKANZROSA-N 290.315 3.790 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2cccc(Cl)c2)C1 1776155551 ABWVUPANDSWYOX-INIZCTEOSA-N 293.794 3.583 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2F)cc1 1776114743 ZNIRKEBTKPHVGI-KTKRTIGZSA-N 284.286 3.728 30 20 CHED Cc1c(C(=O)Nc2cccc(C#N)c2)oc2ccccc12 5456201 NRSDJIRNLSURGJ-UHFFFAOYSA-N 276.295 3.865 30 20 CHED CCCCC(=O)Nc1sc(C)c(CC)c1C#N 5458277 LNEVFYOVWGEBPH-UHFFFAOYSA-N 250.367 3.619 30 20 CHED Cn1cc(CNc2cccc(C#N)c2)c(-c2cccs2)n1 161154422 JOBHXPHDYHUYTF-UHFFFAOYSA-N 294.383 3.632 30 20 CHED CC1(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 162633549 UUTVTASIGXULCC-SECBINFHSA-N 290.775 3.926 30 20 CHED CCC(=CC(=O)Nc1sc(CC)cc1C#N)CC 160480641 LUEYMWFJSZCRHJ-UHFFFAOYSA-N 262.378 3.867 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 160938890 VCXYUOJRQAYTTP-NEPJUHHUSA-N 284.186 3.789 30 20 CHED COc1cc(OC)c(/C=C\C(=O)c2ccccc2)c(OC)c1 200296922 JJDOZQYRWBCCDD-KTKRTIGZSA-N 298.338 3.609 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc(C)c1F 155491056 AZGWIWNQXUEHQK-UHFFFAOYSA-N 290.382 3.926 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc(OCC#N)cc1 8321695 ZNQYWRBVVASBRE-DHZHZOJOSA-N 277.323 3.794 30 20 CHED COc1ccccc1N[C@@H](C)c1ccc(C#N)cc1 19901859 WPPAEEXWPYJIOH-LBPRGKRZSA-N 252.317 3.740 30 20 CHED CN(CCc1cccc2ccccc12)CC1(C#N)CC1 258957787 RMKZIJHGTMKHLL-UHFFFAOYSA-N 264.372 3.618 30 20 CHED C#Cc1cccc(N[C@@H](C)CCc2ccc(O)cc2)c1 19876944 CUMBPEVFWBEPRK-AWEZNQCLSA-N 265.356 3.807 30 20 CHED C[C@H]1C[C@@H](C)CN(c2c(C#N)cnc3ccccc23)C1 36913231 URLBTSAQGOHWPB-BETUJISGSA-N 265.360 3.589 30 20 CHED N#Cc1ccc(Cl)cc1OCCCOCC(F)(F)F 161651885 CTBFCVFUSRGWQM-UHFFFAOYSA-N 293.672 3.559 30 20 CHED Cc1cccc(F)c1NCc1cc(C#N)ccc1F 164806540 PPOQZVQNLHVCPY-UHFFFAOYSA-N 258.271 3.757 30 20 CHED Cc1ccc(-c2noc(-c3cccc(C#N)c3)n2)cc1 172057730 LNRINNLKESUVGG-UHFFFAOYSA-N 261.284 3.584 30 20 CHED C=CC[C@@H](CC)NC1CCN(c2ccccc2)CC1 281427303 CAAWWIDFOORHIN-OAHLLOKOSA-N 258.409 3.600 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cscn2)cc1 287570168 QPANJUZDMWJWEY-GFCCVEGCSA-N 274.389 3.559 30 20 CHED CCC(C#N)(CC)C(=O)NCC[C@@H](C)c1ccccc1 61911226 WHAWWAWAQXHADU-CQSZACIVSA-N 272.392 3.626 30 20 CHED CC[C@@H](CNc1snc(C)c1C#N)CC(F)(F)F 402634535 DUNWDSZXXFXBHR-MRVPVSSYSA-N 277.315 3.714 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(Br)o1 308839307 JKWOTGDOXSGMKB-SNVBAGLBSA-N 272.186 3.877 30 20 CHED C[C@H](Cc1cccs1)Nc1ccc(CC#N)cc1 613540371 PKJNVXJPGHGJIM-GFCCVEGCSA-N 256.374 3.857 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 468287588 RFKLBUZCIXBSPF-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED CC1(CCNc2nc3ccccc3cc2C#N)CC1 698114245 AHTBLHCDPMWLAT-UHFFFAOYSA-N 251.333 3.709 30 20 CHED Cc1cc(C)cc(Cn2cc(C#N)c(=O)c3ccccc32)c1 57740529 QUGWZDFPTVOVEB-UHFFFAOYSA-N 288.350 3.538 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 104997095 LCELGIIITDYIPC-UHFFFAOYSA-N 285.391 3.918 30 20 CHED N#CCC[C@H](NC(=O)NC(C1CC1)C1CC1)c1ccccc1 178765943 LHGWRFSVEUFGDS-INIZCTEOSA-N 297.402 3.519 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)O[C@@H](C)CC#N)oc12 113691756 DHNDWGGQIYCXJW-NSHDSACASA-N 271.316 3.817 30 20 CHED N#C[C@H](C(=O)CCCC1CCCC1)C(=O)Nc1ccccc1 173967181 CFHLTTIOSLPHJR-MRXNPFEDSA-N 298.386 3.694 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1ccc(C#N)s1 119379663 VZYCBDSHFDLYRV-GFCCVEGCSA-N 256.374 3.813 30 20 CHED COc1cccc(/C=C2\CCOc3ccccc3C2=O)c1 102971164 QTIOMUUHYHKKIA-SDNWHVSQSA-N 280.323 3.744 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)c(OC(F)F)c1 117007668 ROKHUUICGQSWGQ-JTQLQIEISA-N 284.306 3.683 30 20 CHED C[C@H](NC(=O)c1sccc1C#N)c1ccc(Cl)s1 52030453 CDDFZTYDJGLKQQ-ZETCQYMHSA-N 296.804 3.826 30 20 CHED CCCC[C@H](CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 26130974 WHNZTQAUOAGXOZ-ZFWWWQNUSA-N 272.392 3.952 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1CCc1ccccc1 177239866 OBXJOZMPAHUBHG-SFHVURJKSA-N 298.430 3.597 30 20 CHED C=CC[C@@H](C)NC(=O)c1csc(-c2cccs2)n1 116852505 RGKUFJSJBCRHIT-SECBINFHSA-N 278.402 3.566 30 20 CHED COc1ccc(N/C(N)=N/CCCC2CCCCC2)cc1 303895378 PKEAVVIAWVFHKR-UHFFFAOYSA-N 289.423 3.782 30 20 CHED COc1ccc(Sc2c(C#N)cccc2C#N)cc1 302850183 PPADMZIQYBCKGF-UHFFFAOYSA-N 266.325 3.590 30 20 CHED CCc1cccc(N/C(N)=N/CC2(C)CCCC2)c1 304760898 TWEHATQDEOPWCT-UHFFFAOYSA-N 259.397 3.556 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](CCC(C)C)C(C)(C)C 303637610 QCENOBISFMLCDL-CABCVRRESA-N 283.456 3.935 30 20 CHED CCCCCCCCC(=O)Nc1ccc(C(=O)O)c(O)c1 60146006 CFQUMBQAIKWGOT-UHFFFAOYSA-N 293.363 3.780 30 20 CHED C=C(Br)CNC(=O)c1ccc(C(C)(C)C)cc1 60126117 ZPSTWMMJXUCTDC-UHFFFAOYSA-N 296.208 3.623 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)c1ccc(Cl)s1 178855653 SANJESDOEHMPQI-SNVBAGLBSA-N 269.797 3.706 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Nc1cccc2[nH]ccc12 172220383 UAUUVAGQAARANQ-UHFFFAOYSA-N 290.326 3.992 30 20 CHED CO[C@@H]1CC[C@@H](Nc2c(C#N)cnc3c(C)cc(C)cc23)C1 302766166 LLUKMEYGZUEVQQ-HUUCEWRRSA-N 295.386 3.703 30 20 CHED C=C[C@H](CC(=O)N(C)CC1CCCC1)c1ccccc1 121260401 OOMXHIHGFZIDSK-MRXNPFEDSA-N 271.404 3.995 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)N(C)[C@H](C)CC#N 1350038387 SQWOYRXNLOCPST-LLVKDONJSA-N 294.782 3.503 30 20 CHED COc1ccc(OCCC(C)(C)C#N)c(Br)c1 123553997 OUIHZUIZOIEWBT-UHFFFAOYSA-N 298.180 3.776 30 20 CHED CCCC1(C/N=C(/N)Nc2ccc(CC)cc2)CC1 305069935 IZNZBABTWJMBAV-UHFFFAOYSA-N 259.397 3.556 30 20 CHED COc1cccc(C(C)(C)CN[C@H]2CCC[C@H](C#N)C2)c1 185865207 WQDTXUGTCVIQNS-HOCLYGCPSA-N 286.419 3.645 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)c[nH]1 181230646 QFLPTIKQKOYSJD-HNNXBMFYSA-N 299.761 3.517 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC)c1ccc(F)cc1F 183027180 SBCPEJQSUVXVLE-AWEZNQCLSA-N 282.334 3.633 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1C 409695832 KPNPRNPFKIRVSI-NVXWUHKLSA-N 286.419 3.963 30 20 CHED C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccc(C#N)cc1 72560868 OCJJQTDLWYMKKH-ZDUSSCGKSA-N 295.342 3.659 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H](C)[C@@H]1C)c1ccccc1 188435668 KKHKCYSMMHLVEU-DZKIICNBSA-N 257.377 3.603 30 20 CHED C=CC[C@@H](C(=O)NCCCOCC(C)C)c1ccccc1 186278745 PHHLEWLEVWNBCX-QGZVFWFLSA-N 289.419 3.525 30 20 CHED Cc1cc(CN2CC3(CCOCC3)[C@H]2C(C)C)ccc1C#N 414536706 JTIHNXOJLSDXBI-GOSISDBHSA-N 298.430 3.504 30 20 CHED N#CC1(CCN2Cc3ccccc3C2)CCCCC1 411262792 TWSSRUUYEYQZPO-UHFFFAOYSA-N 254.377 3.866 30 20 CHED C=CCSCCN[C@H]1CCSc2ccccc21 180453969 ITEFASUJSRPSKZ-ZDUSSCGKSA-N 265.447 3.732 30 20 CHED N#Cc1ccsc1NC(=O)c1cccc(Cl)c1F 153260780 BUZYBSFBDSMMTP-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cccs1 181133562 OZCDVBPXBXCUMO-LLVKDONJSA-N 258.346 3.651 30 20 CHED Cc1cc(C(=O)/C=C/c2c(C)noc2C)cc(C)c1F 125385806 KQPYXUWAUFNISV-AATRIKPKSA-N 273.307 3.943 30 20 CHED C=CCCCC(=O)NCCN1CCC2(CCCCC2)CC1 508318471 UQWOODBLPMGVBC-UHFFFAOYSA-N 292.467 3.505 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 180126492 XSFJLSTWEAIHFG-JTDSTZFVSA-N 299.414 3.557 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C1CCC(c2ccccc2)CC1 79603167 OXYZEFISJKTXJQ-ZLPCBKJTSA-N 298.430 3.969 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1sc(C)nc1CC(C)C 127482073 PLRHGUCKXLDNBS-NSHDSACASA-N 296.436 3.570 30 20 CHED CCN(CCC#N)Cc1cccc(OC2CCCC2)c1 127601349 SFUQZPVLFXXUKO-UHFFFAOYSA-N 272.392 3.744 30 20 CHED Cc1cc(C)cc(NC(=O)Nc2ccc(F)c(C#N)c2)c1 502537366 IQAXNYNSOHEFFQ-UHFFFAOYSA-N 283.306 3.958 30 20 CHED CC(C)[C@H](C)N(C(=O)/C=C/c1cccc(C#N)c1)C1CC1 78784793 ZOBPBHGADBNYCU-RNVIBTMRSA-N 282.387 3.607 30 20 CHED C[C@@H]1/C(=C/c2ccc(C#N)cc2)C(=O)c2c(O)ccc(F)c21 213220262 FZMIFUNJXKRTKM-GARZTLJTSA-N 293.297 3.786 30 20 CHED Cc1cnc([C@H](NCc2ccc(C#N)cc2C)C2CC2)s1 186328294 LUESSGPDWGELQA-MRXNPFEDSA-N 297.427 3.873 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 186824775 ISEUGGDVSGMSSN-WBAXXEDZSA-N 286.419 3.803 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c(F)cc(Cl)cc1F 180356004 WOCVONURMDFWDZ-MRVPVSSYSA-N 289.709 3.538 30 20 CHED N#CCC(=O)Nc1cccc(CSC2CCCC2)c1 186970215 AAMCDKCJXNPDPT-UHFFFAOYSA-N 274.389 3.715 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](C)CCSC)c1 77284344 VOJATSRCHRWHQV-GFCCVEGCSA-N 294.420 3.515 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CS[C@@H](C)C1)c1ccccc1 412578403 CGMUPHNYXZPBJY-IMJJTQAJSA-N 289.444 3.747 30 20 CHED N#CCN(C(=O)CCc1ccc(Cl)s1)C1CCCC1 78208199 YBILBFUPTSKBQB-UHFFFAOYSA-N 296.823 3.629 30 20 CHED COC(=O)c1ccccc1CSc1ccc(C#N)cc1 505928195 KKELOAQQQKRKDI-UHFFFAOYSA-N 283.352 3.637 30 20 CHED C=CCC1(CNC(=O)CC(CC)(CC)C(=O)O)CCCC1 414092414 MUPSIHGRMFABQI-UHFFFAOYSA-N 295.423 3.520 30 20 CHED Cc1ncsc1CCSc1ccc(C#N)cc1 505533211 PHULKYRSFBQZBX-UHFFFAOYSA-N 260.387 3.658 30 20 CHED CSC[C@H]1CCCN1Cc1ccccc1C(C)(C)C#N 135476860 OYNCHEWRVSIKER-OAHLLOKOSA-N 288.460 3.815 30 20 CHED Cc1ccc(Br)c(CN[C@@H]2CC[C@@H](C#N)C2)c1 414271710 XFHYBXLNPJDVHN-DGCLKSJQSA-N 293.208 3.539 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(COc2ccccc2)cc1 194444840 MHBPKFMHBIJWAU-UHFFFAOYSA-N 295.338 3.725 30 20 CHED C=CCNC(=O)Nc1ccccc1N1CCc2ccccc21 44348818 BWBDCRWWVPJSIT-UHFFFAOYSA-N 293.370 3.688 30 20 CHED Cc1cc(C)c(NC(=O)/C=C/c2ccccc2C#N)c(C)n1 193183317 FTEFEGSYEPCCGT-CMDGGOBGSA-N 291.354 3.530 30 20 CHED CC(C)c1cc(Oc2ccc(C#N)cc2Cl)ncn1 609495250 AARIWHLOYPEOAE-UHFFFAOYSA-N 273.723 3.917 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc3nccnc3c2)no1 426437419 NFMNXKVHWOHXGP-UHFFFAOYSA-N 280.331 3.534 30 20 CHED CC(C)(C)C[C@H](Nc1cncc(C#N)n1)c1ccccc1 420602246 OGKAAHXYIPQDBY-HNNXBMFYSA-N 280.375 3.938 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2cc(Cl)ccc2C1 191546150 NFUYSGKZPXQADL-UHFFFAOYSA-N 289.806 3.993 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2nc(C)sc2c1 527656863 LAWYQRZVMAKFSA-UHFFFAOYSA-N 287.388 3.873 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H]1c1ccccc1 498853392 WRFVXQUEJLNYCJ-HNNXBMFYSA-N 252.292 3.649 30 20 CHED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)Cc2ccccc2O1 429113957 JMYXLSVQWVQDPM-HUUCEWRRSA-N 292.382 3.902 30 20 CHED Cc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c(F)c1 43323739 LXMWGZNWYTZWOW-GFCCVEGCSA-N 297.333 3.889 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccc(C#N)o1 135155333 CONHHQJXXMBOJO-OAHLLOKOSA-N 284.359 3.856 30 20 CHED OC1=Nc2cc(N=C(O)N3CC[C@H]4CCC[C@H]43)ccc2CC1 330274279 JVQNKFKYBHLOHL-IUODEOHRSA-N 299.374 3.641 30 20 CHED C=CC[C@H](C)NC/C(C)=C\c1ccccc1COC 511082873 VHZQOVBEFJTLQS-SZGZABIGSA-N 259.393 3.791 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)cc1 336063512 YHAAXPXSDHVDRD-WFASDCNBSA-N 283.375 3.504 30 20 CHED C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)C1CC1 91208479 UAVIXPAYQAVPCQ-SECBINFHSA-N 276.405 3.902 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)CCC=C2 332723458 SHTDEPMFCNTHCJ-GOSISDBHSA-N 282.387 3.704 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2sccc2C#N)C1 179362150 AFBVRIUVMIYKGL-SNVBAGLBSA-N 262.378 3.775 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc2cccnc12 425397834 BHEGQUQLDACFRW-UHFFFAOYSA-N 254.333 3.776 30 20 CHED CN(CCc1cccs1)CC(C)(C)CCC#N 93685654 JNALWRVVSJBZSI-UHFFFAOYSA-N 250.411 3.552 30 20 CHED CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1cc(C#N)n(C)c1 435280598 SZQZDTDQLYWXKU-SFHVURJKSA-N 299.393 3.865 30 20 CHED CCN(CC1CCC1)C(=O)Nc1ccc(C#N)cc1Cl 432306174 KTJXBXYUICNJOW-UHFFFAOYSA-N 291.782 3.866 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCC[C@H]2C#N)cc1 331477659 DOOVWOXQASLXET-ULQDDVLXSA-N 297.402 3.534 30 20 CHED Cc1sc(NC(=O)[C@@H]2Cc3ccccc32)c(C#N)c1C 336516358 VARTXLGTIILVPM-CYBMUJFWSA-N 282.368 3.515 30 20 CHED Fc1ccc(C#CCN[C@H](c2ccccc2)C(F)F)cc1 433050749 DSYQVTXUYIEMHW-MRXNPFEDSA-N 289.300 3.773 30 20 CHED C=CCC[C@H](CC)NCc1noc(-c2ccccc2F)n1 435028284 HYPXLIFCGLOWPY-LBPRGKRZSA-N 289.354 3.710 30 20 CHED CCc1ccc([C@@H]2CCN(C(=O)C(C#N)(CC)CC)C2)cc1 529420895 FZAIOOAOSSKGFP-QGZVFWFLSA-N 298.430 3.895 30 20 CHED CC(C)[C@H]1CCCCN1Cc1ccc(O[C@H](C)C#N)cc1 245782784 UPRAPOMURATILH-CRAIPNDOSA-N 286.419 3.988 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(C#N)cc1)C2 248341234 VYYZFEKGGVMVQW-MPGHIAIKSA-N 282.387 3.503 30 20 CHED CCOc1ccc(CN(CC2(C#N)CC2)C(C)C)cc1 343314464 NREGOCRHROLYJB-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 341715800 WQFPVOHRSLFJBG-MLGOLLRUSA-N 256.393 3.960 30 20 CHED Fc1ccc(C#CCNc2ccc3scnc3c2)cc1 433491568 PPXFEEMRKAUDJN-UHFFFAOYSA-N 282.343 3.899 30 20 CHED C=CCC[C@@H](NCCC1(O)CCC1)c1ccccc1 342809058 GKOPBCXCNPFZCM-MRXNPFEDSA-N 259.393 3.589 30 20 CHED C[C@H](Nc1c(F)cc(C#N)cc1F)c1ccc2n[nH]cc2c1 343984543 VNRCTRBNETWBFQ-VIFPVBQESA-N 298.296 3.886 30 20 CHED Cc1cc(F)cc2c(N3CC[C@H](C4CC4)C3)c(C#N)cnc12 343425635 LESSSJTWKSHERY-ZDUSSCGKSA-N 295.361 3.790 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1cccc(C)c1C 528586375 OQFJOPRELXYQHC-AWEZNQCLSA-N 272.392 3.811 30 20 CHED N#Cc1cc(F)ccc1CSCc1ccc(F)cn1 344838614 YEZDVDLDGXPBRP-UHFFFAOYSA-N 276.311 3.665 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 431855529 BHXUXJPVUUZKMK-CAEXGNQWSA-N 261.409 3.530 30 20 CHED CCCN(C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 521753002 XHWPXGXMDBWDEW-UHFFFAOYSA-N 293.370 3.657 30 20 CHED COCCNc1ccc(-c2ccc(OC)cc2C)cc1C#N 600786820 UPFHWQQNDCYFFT-UHFFFAOYSA-N 296.370 3.601 30 20 CHED C=CCCN(C)c1nc(-c2ccccc2C)ns1 527975558 AYWDIBFIVHGETD-UHFFFAOYSA-N 259.378 3.526 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ncc(CC)s1 346142866 CWAXFRCCPLUSOX-UHFFFAOYSA-N 297.427 3.765 30 20 CHED CC1(C)CCCN(C(=O)C[C@@H]2C[C@@H]2c2ccccc2)[C@H]1C#N 341643228 KHTZSTKZWKVTFH-BBWFWOEESA-N 296.414 3.721 30 20 CHED C[C@H]1CC[C@]2(CCN(c3nccc(C#N)c3Cl)C2)C1 342835302 ODMKJNZEEVKDOH-NHYWBVRUSA-N 275.783 3.623 30 20 CHED C=CCOCCCN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 348026714 DRIJFTNUFCHUGB-GDBMZVCRSA-N 277.408 3.954 30 20 CHED CN(C/C=C\c1ccc(F)cc1)Cc1ccc(C#N)cc1 255283740 UPAHNKTVOJJBSA-IHWYPQMZSA-N 280.346 3.843 30 20 CHED Cc1cc(CN[C@@H]2CC[C@@H](C#N)C2)c2[nH]c(C)c(C)c2c1 442788350 ZUFICBARCMSUAE-GDBMZVCRSA-N 281.403 3.875 30 20 CHED CC[C@H](NC[C@H]1CCCCN1C1CC1)c1ccc(C#N)cc1 447600276 LQELCHJPBYCGEJ-MOPGFXCFSA-N 297.446 3.616 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2cccc(F)c2o1 607779786 RLFULAXEVZTLPQ-UHFFFAOYSA-N 261.296 3.610 30 20 CHED CC[C@H](F)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 440788337 VPSGOPKMAUUVFO-HRCADAONSA-N 260.356 3.506 30 20 CHED CC(C)(C)c1cccc(OCCN[C@@H]2CC[C@H](C#N)C2)c1 442869993 CIONTGGPTMLKQG-GOEBONIOSA-N 286.419 3.645 30 20 CHED CCc1nnc(N[C@@H]2CC[C@H](C)C[C@H]2C)c(C#N)c1CC 250132063 JYXQZXTZWJFEDF-HWWQOWPSSA-N 286.423 3.710 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)s2)ccc1O 255914203 VTYMLNFGQDSTMM-ALCCZGGFSA-N 274.341 3.667 30 20 CHED N#CCCCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 359986913 UBBMMLAUOVGAAW-AWEZNQCLSA-N 276.767 3.697 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 353629513 WJAKAKZBJCLXCT-KBPBESRZSA-N 287.407 3.611 30 20 CHED Cc1cc(C)cc(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 447912427 JZAVWCFJAUXEOR-MOPGFXCFSA-N 298.430 3.731 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)C[C@@H]1C)c1ccccc1 534669245 ZXIRMZYSLYYMFT-QLFBSQMISA-N 257.377 3.603 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1csc2ccccc12 608821386 QVMVXNKRCYJSAC-NSHDSACASA-N 272.373 3.569 30 20 CHED C=C(C)CN(C)C(=O)c1ccsc1-n1c(C)ccc1C 351529900 PIWYJDBUBQIEKZ-UHFFFAOYSA-N 288.416 3.804 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccccc1CC 354258878 JGNCJBYZNDSKEV-UHFFFAOYSA-N 283.371 3.713 30 20 CHED Cc1ccc(F)c(-c2noc(-c3ccc(CC#N)cc3)n2)c1 445459254 ZFVAXXYBNUFPOG-UHFFFAOYSA-N 293.301 3.917 30 20 CHED Cc1cccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C#N)c1C 265219881 OIGIDDBMNAEYBE-LBPRGKRZSA-N 296.330 3.651 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC1(C)C 618562527 DCPUOAGADKIJLD-NSHDSACASA-N 298.839 3.898 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(C)(C(C)C)CC1 442935227 KNJRQZRRZVFZET-OAHLLOKOSA-N 251.414 3.873 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCc2cc(C#N)ccc21 619554202 WGSPGONFOSYCDV-WDSOQIARSA-N 296.414 3.506 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC1CCC2(CCCO2)CC1 618807452 UPJNIWYDXFIQBR-AVAKVYKDSA-N 296.414 3.627 30 20 CHED CCCc1csc(NC(=O)NCC(C)(C)CCC#N)n1 350817425 ZJKZLZSPRZQFNO-UHFFFAOYSA-N 294.424 3.547 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)CC1CCC1 352952152 PCCQHBLXGNRXBG-UHFFFAOYSA-N 261.413 3.642 30 20 CHED C[C@@](Cc1ccccc1)(NCc1ccc(C#N)o1)C1CC1 449778320 RVKWALDAMCJUJR-SFHVURJKSA-N 280.371 3.652 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 610014718 OICRZPJZDVVGFC-HEHGZKQESA-N 297.402 3.798 30 20 CHED Cc1cccc(C)c1NC(=S)NN=Cc1ccsc1 263630945 KKUVJUMVSQXHMS-UHFFFAOYSA-N 289.429 3.685 30 20 CHED Cc1cc(CNCCc2cc3ccccc3o2)ccc1C#N 443985739 GTXNGGXYVQOETI-UHFFFAOYSA-N 290.366 3.945 30 20 CHED C=CCC[C@H](CCC)Nc1cnn([C@H]2CCOC2)c1C 449532262 ICBNBHQHGZUKJY-GJZGRUSLSA-N 277.412 3.700 30 20 CHED Cc1cccc([C@@H]2CCCN2c2cccc(C#N)n2)c1 267239690 RLNXDYBVMYUDNG-INIZCTEOSA-N 263.344 3.603 30 20 CHED C=C1CCN(Cc2c[nH]nc2-c2cccc(C)c2)CC1 353326969 BEWYRXGSBQVKHR-UHFFFAOYSA-N 267.376 3.537 30 20 CHED CC[C@H](NC(=O)N1CCC(CC#N)CC1)C1CCCCC1 611619608 BSOFHLJGWZKHNL-INIZCTEOSA-N 291.439 3.681 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(CC)s1 453380030 ZIPXJEABOFMCLI-YUTCNCBUSA-N 265.422 3.695 30 20 CHED N#Cc1ccc(CNc2cncc3ccccc23)c(F)c1 534646262 OORXKLSYJATPAN-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(F)c2C)C1 617777901 ZIDPZKKUUQIACO-CYBMUJFWSA-N 261.340 3.562 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)CCCc2cccnc2)CC1 457954699 XMWMGXVMWYGIMH-HNNXBMFYSA-N 286.419 3.655 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C)n(C(C)C)n2)n1 453185416 KHUHAOMJGPAOJY-UHFFFAOYSA-N 274.368 3.676 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCc2cc(C)ccc21 539703971 ZOVOONJTWBGQHP-ZBFHGGJFSA-N 272.392 3.636 30 20 CHED CC[C@@H]1C[C@H]1CNC(=O)Nc1ccc(CC#N)cc1Cl 455736782 SLOFMGGBXITCJG-NEPJUHHUSA-N 291.782 3.574 30 20 CHED CCC(CC)c1cc(C(=O)Nc2cccc(CC#N)c2)on1 456726296 HSHQPQJWUUKLQV-UHFFFAOYSA-N 297.358 3.897 30 20 CHED C#CC[C@@H](NCc1ccc(CC)o1)c1ccccc1 270198821 LWMRATASCBCGIZ-QGZVFWFLSA-N 253.345 3.696 30 20 CHED N#Cc1cccc(N2CCCC[C@@H]2c2ccccc2)n1 273813864 BNUDSTWXOWFNMW-MRXNPFEDSA-N 263.344 3.685 30 20 CHED CCC[C@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccccc1 619247959 KPSPERUMRNHNAY-KRWDZBQOSA-N 294.354 3.535 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)OCC(C)C 548421282 QSSWPPQMPURCAH-MRXNPFEDSA-N 289.419 3.652 30 20 CHED C=C(C)CN(CC)C/C=C\c1ccc(F)cc1F 543626295 XOFLNDVLEYVLMT-WAYWQWQTSA-N 251.320 3.876 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)N(C)Cc1ccc(C#N)cc1 455618860 FEXJLJJIQPUPLH-ZDUSSCGKSA-N 287.407 3.524 30 20 CHED Clc1ccc(-n2ccc(CON=C3CCC3)n2)cc1 274352600 SMWMYSUCEHJBGE-UHFFFAOYSA-N 275.739 3.582 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 620858372 FKFJUFVRIWOACS-OLZOCXBDSA-N 293.357 3.929 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(CSCC)c1 362678694 FJHXUPXEIOASCD-LLVKDONJSA-N 264.394 3.636 30 20 CHED C#CCCCCC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 367373120 WVPUKSJWECOSIC-UHFFFAOYSA-N 295.386 3.826 30 20 CHED CCC(O)(CC)CCNc1cccc(Cl)c1C#N 450473706 IGFNFYQCCVDUHX-UHFFFAOYSA-N 266.772 3.565 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1F 362298969 XGEOOVBRYWVCQD-UHFFFAOYSA-N 290.244 3.887 30 20 CHED N#CC1(CN2CCC[C@@H]2c2cccc(F)c2)CCC1 450274610 BLIDATYXMNPBDC-OAHLLOKOSA-N 258.340 3.656 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 454894258 NYCMCXUFMITVQH-GDBMZVCRSA-N 290.382 3.727 30 20 CHED CCc1cncc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 278957192 HFBQJZQKSAHXSP-UHFFFAOYSA-N 293.370 3.697 30 20 CHED Cc1cccc(CC[C@H](C)NCC(C)(C)CC#N)c1 459659906 AELNCCKMEXQRCX-HNNXBMFYSA-N 258.409 3.846 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(F)F 454442093 KIUIGHHAZMYDFW-GFCCVEGCSA-N 295.333 3.653 30 20 CHED CCC1(CNC(=O)Nc2cccc(CC#N)c2)CCCC1 455924361 VQOCEWNDIMZJDD-UHFFFAOYSA-N 285.391 3.845 30 20 CHED C=C(CC)CNC(=O)c1cccc(Cl)c1Cl 453028184 WZEIWGHOSGLNTO-UHFFFAOYSA-N 258.148 3.689 30 20 CHED N#Cc1ccc(CN(CCCC2CCOCC2)C2CC2)cc1 274692176 VHLSZTNXDPDCIR-UHFFFAOYSA-N 298.430 3.729 30 20 CHED CC#CCCCC(=O)N1CC[C@H](C)C2(CCCCC2)C1 466314833 RZMMYPKVWRYZEQ-INIZCTEOSA-N 275.436 3.999 30 20 CHED CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 463765563 BEQJXKSSZZSVGW-MRXNPFEDSA-N 286.419 3.969 30 20 CHED C[C@@H]1N(CCCCC(C)(C)C#N)CCC12CCOCC2 370500705 SVMSHZXNLYALRG-HNNXBMFYSA-N 278.440 3.597 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(CCCSCC#N)C1 285648332 LPMNRUVMCXEBCO-ZBFHGGJFSA-N 274.433 3.716 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] 463658430 QOSQPFCOARHGCE-SGMGOOAPSA-N 285.347 3.847 30 20 CHED C=CCCN(C)C(=O)[C@@H](CC)C1CCC(C)CC1 467070293 UPJVLGMCKTXXEZ-NRXISQOPSA-N 251.414 3.873 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 466646652 CTUFILMCJJDYPK-AWEZNQCLSA-N 289.419 3.786 30 20 CHED C=CCCN(C)C(=O)c1csc2cc(C)ccc12 281036295 QUVIYZIGCGBDQW-UHFFFAOYSA-N 259.374 3.858 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C)(C)C1 559011091 ORUAXUNQFYZBHH-CYBMUJFWSA-N 276.428 3.604 30 20 CHED CC(C)(C#N)c1ccc(N=c2[nH]ccc(C#N)c2Cl)cc1 553311786 LPXDHXBAMUNTTJ-UHFFFAOYSA-N 296.761 3.573 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)C1CCCC1 551811721 FSRMRMVYXGNAFS-ZDUSSCGKSA-N 254.377 3.716 30 20 CHED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)C1CCC1 556706931 MIDXDRXQBVTOFI-LBPRGKRZSA-N 274.339 3.509 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2cccc(C)c2)CCCCC1 465152167 RGDNGGCTYCVWQU-OAHLLOKOSA-N 271.404 3.888 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)c1ccccc1OC 468268655 CMMKUBBHNCAKSB-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CCC2 467730205 BYJKCVRHHPVCSU-UHFFFAOYSA-N 255.361 3.882 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1cccc2ccsc12 551904033 DUTJPALQCHLSOG-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC2(CCSCC2)CC1 633941964 POZLTYTXQYEJJW-UHFFFAOYSA-N 281.465 3.725 30 20 CHED Cc1ccc(NC(=O)CSCCC(C)(C)C#N)c(C)c1 289348697 GKKOFGKWCBBOBC-UHFFFAOYSA-N 290.432 3.915 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(-n2cccn2)c(F)c1 559306607 KZDAKVNGKWBGAM-CYBMUJFWSA-N 273.355 3.628 30 20 CHED C=CCCc1noc(CCC(=O)c2cc(C)sc2C)n1 297245151 IUCUEKAWXSYPBR-UHFFFAOYSA-N 290.388 3.682 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC(c2ccc(Cl)cc2)CC1 477193568 QMHZIBNZIZUBLP-GFCCVEGCSA-N 292.810 3.804 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H](C(C)(C)C)C1)C(C)(C)C 808313819 DJOFLCSOWAELNM-KBPBESRZSA-N 278.440 3.502 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CC[C@H](C)C1)c1ccccc1 478109470 KBZYSEKEDAAPGJ-ARFHVFGLSA-N 271.404 3.899 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H]2CCC3(CCCCC3)O2)n1 477799433 IBNWVARWOIRTSZ-OAHLLOKOSA-N 299.418 3.864 30 20 CHED N#CCc1ccc(C(=O)OCc2ccc3occc3c2)cc1 808821015 SDOILPLDEBIREK-UHFFFAOYSA-N 291.306 3.856 30 20 CHED C[C@@H](NCC1(C#N)CC1)[C@@H](C)c1nc2ccccc2s1 565517619 HDIOGLGEXYQMNC-VXGBXAGGSA-N 285.416 3.682 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccccc1O[C@H](C)C#N 297969825 PXZHBKQPNNYMDU-GFCCVEGCSA-N 272.348 3.518 30 20 CHED C=CCCc1noc([C@@H]2C[C@@H]2c2ccc(F)cc2F)n1 297315082 NBKKYVTWKRSWDO-VXGBXAGGSA-N 276.286 3.738 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(F)c2Cl)c1 804597937 HPRVNYYRJQHVFK-UHFFFAOYSA-N 294.669 3.844 30 20 CHED N#Cc1sc(N2CCC=C(c3ccco3)C2)nc1Cl 804775568 IVUWZYQJDHOIPB-UHFFFAOYSA-N 291.763 3.555 30 20 CHED C#CCN(Cc1ccccc1)Cc1cccc2cc[nH]c12 809715909 HWVKZTILGMQCLX-UHFFFAOYSA-N 274.367 3.803 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@H](C2CC2)C1 808304375 SQQLMROFMMKCEA-INIZCTEOSA-N 278.440 3.955 30 20 CHED C=CCC(C)(C)c1noc(COCCc2ccccc2)n1 560025867 TUXNQJYLXJSGEN-UHFFFAOYSA-N 286.375 3.683 30 20 CHED N#C[C@@H](OC(=O)[C@H]1CCCC(F)(F)C1)C1CCCCC1 800277487 IZZXZVUSVMQLKD-QWHCGFSZSA-N 285.334 3.828 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC12CCCC2 474385230 QMOHDAXSNZPCHL-QGZVFWFLSA-N 296.414 3.877 30 20 CHED C[C@H](C#N)OCCN[C@H](c1ccc(F)cc1)C1CCCC1 801937736 VBZJPKACAQTKOB-DYVFJYSZSA-N 290.382 3.575 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(OC(C)C)cc1Cl 806447087 SGONBNZOZLWQKB-LLVKDONJSA-N 294.782 3.661 30 20 CHED CSc1ccccc1[C@@H](C)OC(=O)c1c[nH]c(C#N)c1 800441179 OPDGVFKKFRKGDI-SNVBAGLBSA-N 286.356 3.526 30 20 CHED C=CCCCS(=O)(=O)N1CCC[C@@H](C)c2ccccc21 489640509 BAJHRXYVZJTWTJ-CQSZACIVSA-N 293.432 3.686 30 20 CHED CCC[C@H](C=NNc1cc(Cl)nc(Cl)c1)OC 819828559 IHLGYCKMOOMUEW-SECBINFHSA-N 276.167 3.601 30 20 CHED Cc1cc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc(C)c1O 811695294 CFSSZIZNNXUNDI-APSNUPSMSA-N 289.334 3.703 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(Cl)cc1F 814704174 KOYRCXOZQJRSDT-UHFFFAOYSA-N 263.646 3.629 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1cccc(Cl)n1 814939667 YFJLPTYRRLHZSC-JTQLQIEISA-N 276.771 3.853 30 20 CHED CCOC(=O)c1ccc(NN=C2CC3(CCC3)C2)cc1C 812228052 APDHPNSUFGCZDT-UHFFFAOYSA-N 286.375 3.904 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(F)c(CC)c1 486899595 WZRDRTJNRZSYAJ-UHFFFAOYSA-N 262.328 3.594 30 20 CHED C=CCC[C@@H](NCC(C)(C)CN1CCCC1)c1ccco1 576406003 ICUUZWLOAIERCI-MRXNPFEDSA-N 290.451 3.999 30 20 CHED CC(C)n1cncc1C=NNc1ncc(Cl)cc1Cl 819806573 RDFDFIYNEMHAOX-UHFFFAOYSA-N 298.177 3.612 30 20 CHED COc1ccc(F)cc1/C=C1\Cc2cc(C)ccc2C1=O 812241342 GTHODRBVJSQKMH-NTEUORMPSA-N 282.314 3.965 30 20 CHED S=C(NN=C1CC[C@H]1C1CCC1)Nc1ccccc1 814714164 UDCDMSIJMBOZNA-ZDUSSCGKSA-N 273.405 3.539 30 20 CHED N#Cc1ccc(CN[C@H]2C=CCCC2)c(C(F)(F)F)c1 579537293 BHXMAYUHAKTKFX-ZDUSSCGKSA-N 280.293 3.775 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc(F)c(Cl)c2)CC12CCCC2 572332007 DWBLLUKZJRLWKX-OAHLLOKOSA-N 292.741 3.892 30 20 CHED Cc1cccc(C)c1/C=C1/Cc2ccc(C#N)cc2C1=O 811695334 DEJADYRUKGURCE-YBEGLDIGSA-N 273.335 3.998 30 20 CHED N#C[C@@H](NC(=O)C1CC2(CCC2)C1)c1ccccc1Cl 576281116 UBRJEKDPAVEAOJ-CQSZACIVSA-N 288.778 3.601 30 20 CHED CN(Cc1ccc(C#N)cn1)[C@H]1CCC[C@H]1C(C)(C)C 573576791 QAGFYGBJLIXGAD-CVEARBPZSA-N 271.408 3.600 30 20 CHED COCC(=NNc1ccc(C#N)cc1)c1cccc(Cl)c1 814803778 YKPHKPRCOLYUEY-UHFFFAOYSA-N 299.761 3.674 30 20 CHED C=CCC(F)(F)C(=O)N1Cc2ccccc2C[C@@H]1CC 816131670 BVCWJFAARBCVFF-AWEZNQCLSA-N 279.330 3.561 30 20 CHED C=C(C)CNC(=O)NCC(C)(C)c1c(F)cccc1Cl 488576192 JBYNHBBYCWYZNS-UHFFFAOYSA-N 298.789 3.632 30 20 CHED CC(=NN[C@@H](C)COc1ccccc1)c1sccc1C 811664131 AEUCGYHMWADOJK-ZDUSSCGKSA-N 288.416 3.838 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@]2(CC=CCC2)C1 488964311 IGCLSCTZFRZQHB-GOSISDBHSA-N 284.403 3.637 30 20 CHED Cc1cc(CN[C@@H](CC(F)(F)F)C(C)C)ccc1C#N 489013709 OAWYZRGOVGNUAO-AWEZNQCLSA-N 284.325 3.933 30 20 CHED Fc1ccc(NN=C2COc3ccc(Cl)cc32)cc1 814693304 INUGOSUXXPSBQU-UHFFFAOYSA-N 276.698 3.688 30 20 CHED CC(C)OCCON=C1CC(C)(C)Oc2cc(F)ccc21 812238815 FROHTMHJSUGMRG-UHFFFAOYSA-N 295.354 3.533 30 20 CHED C=CC[C@@H](NCC1Cc2ccccc2C1)c1ccncc1 811481124 OZCDWXKAUNTCIU-LJQANCHMSA-N 278.399 3.703 30 20 CHED c1ccc2c(c1)CCCC2=NNc1cnc2ccccc2n1 727255407 BLTBKVBGRHICMS-UHFFFAOYSA-N 288.354 3.782 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1CCCCC1 577250180 LNJVLQANBVECCY-NSHDSACASA-N 289.354 3.788 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 481630186 PEYAENHAPLSNQM-INIZCTEOSA-N 291.435 3.753 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1Cc2ccccc2C1 578052460 LOIYYWUHHJRSLW-UHFFFAOYSA-N 294.402 3.642 30 20 CHED C=C(C)CN1CCC(NCc2ccc(C)cc2Cl)CC1 571171630 QUPXFUGMAOYGLQ-UHFFFAOYSA-N 292.854 3.779 30 20 CHED COc1ccc(C=NNc2cccc3cnccc23)cc1F 728431929 HXLTWKYMAUGDFO-UHFFFAOYSA-N 295.317 3.829 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(C2CCC2)cc1 577801374 XQNWKRMFOONYLK-UHFFFAOYSA-N 270.376 3.718 30 20 CHED N#CCCCCCC(=O)OCCc1c(F)cccc1F 829185229 PZHDNGSRKDUSLJ-UHFFFAOYSA-N 281.302 3.525 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)NC(C)(C)C(C)C 576497792 JYCZRCBTJIWFBJ-UHFFFAOYSA-N 289.379 3.513 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cnc(Cl)c(C)c2)C1 821811037 CHOOXEWJQVABNH-GFCCVEGCSA-N 293.798 3.863 30 20 CHED C=C(C)CN(Cc1cccc(N)c1)Cc1cnn(C(C)C)c1 660540857 TVRZPGOZFQLJBM-UHFFFAOYSA-N 298.434 3.625 30 20 CHED N#CCCCCCC(=O)N1CC[C@H](c2ccc(F)cc2)C1 588161448 JUYGOEGIAAKQHI-HNNXBMFYSA-N 288.366 3.616 30 20 CHED Cc1cccc(OC[C@@H](C#N)CCC#N)c1Br 905981371 UTARXDYTQVMYPB-LLVKDONJSA-N 293.164 3.580 30 20 CHED N#CC1(CCCCOC(=O)c2ccc3cc[nH]c3n2)CCC1 909152881 GLOTVNLZPPMGJP-UHFFFAOYSA-N 297.358 3.584 30 20 CHED CCCC(=NNc1cc(C)ncn1)C1CCCCC1 731935532 DTQNIPBTEUAQBU-UHFFFAOYSA-N 260.385 3.933 30 20 CHED CCO[C@H](c1noc(C2(C#N)CCCCC2)n1)C(C)C 904120415 YOINRUJASBPEOS-LBPRGKRZSA-N 277.368 3.529 30 20 CHED C=CC[C@H](NC(=O)N[C@@H](CC)CCC)c1ccncc1 734664537 GNPVVOHDZIXZIE-GJZGRUSLSA-N 275.396 3.577 30 20 CHED CCSCCCN[C@@H](CC)c1cccc(C#N)c1 902981937 SSKNINKDRWARLD-HNNXBMFYSA-N 262.422 3.742 30 20 CHED Cc1ccc(-c2c(C)nn(CC(F)(F)F)c2C)cc1C#N 904818803 LAZZGZXLAVZGDS-UHFFFAOYSA-N 293.292 3.909 30 20 CHED C#CCCCCCC(=O)N(C)c1cccc(CC)c1 837273640 LPQHLZALQPJYPV-UHFFFAOYSA-N 257.377 3.796 30 20 CHED CCC(CC)NN=Cc1cccc(OCc2ccccn2)c1 734366334 NNQROCZTQSMYFB-UHFFFAOYSA-N 297.402 3.773 30 20 CHED CC1(C)CCC[C@H](NC(=O)N2CCC(CCC#N)CC2)C1 583141452 PZEVVMILXDGIAF-HNNXBMFYSA-N 291.439 3.681 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2scnc2CC)C1 666416725 VCKCSXDWTLCISQ-LLVKDONJSA-N 279.409 3.526 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)CC[C@@H]1CCCO1 839435057 HVAKUJHYPUQPRS-INIZCTEOSA-N 294.354 3.609 30 20 CHED CCCCCCCC(=O)NCCN1CCCC[C@H]1CC 733274059 QRWQHLIDPYYWEG-MRXNPFEDSA-N 282.472 3.728 30 20 CHED Cc1ccccc1/C=C1/COc2ccc(F)cc2C1=O 731565576 ULWCLTHUWQGCTH-JYRVWZFOSA-N 268.287 3.793 30 20 CHED CC(C)(C#N)CCSCCCC1CCOCC1 584742832 WDRKFKHGJBFAJO-UHFFFAOYSA-N 255.427 3.866 30 20 CHED c1ccc(Cc2nc(CON=C3CCC3)cs2)cc1 735490015 PIGPOVIZELAMGN-UHFFFAOYSA-N 272.373 3.790 30 20 CHED C[C@H](N[C@H]1CCc2cccc(O)c21)c1cccc(C#N)c1 834612466 TYJMRSKRHUPJDN-LRDDRELGSA-N 278.355 3.602 30 20 CHED CC(C)COc1ccc(NC(=O)CCCCCC#N)cn1 588158095 AIIODDHDFSJFKZ-UHFFFAOYSA-N 289.379 3.529 30 20 CHED N#CC1(COC(=O)c2cnc3ccccc3c2)CCCCC1 838853144 KRDXNECPZDGUEH-UHFFFAOYSA-N 294.354 3.866 30 20 CHED Cc1c(Cl)cccc1N=C1NN=C(C(C)C)CS1 730816505 WOWNQLVUHLCMBS-UHFFFAOYSA-N 281.812 3.984 30 20 CHED C[C@@H](CCNC(=O)N1CCC[C@H](CC#N)C1)CC(C)(C)C 595592428 ZRVJFGONTIXQGX-LSDHHAIUSA-N 293.455 3.784 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(C)cc1C 916240818 PXMAPGVMGCENBR-UHFFFAOYSA-N 282.343 3.838 30 20 CHED C#CCCN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 839138622 SFFDLKAMLLTYIZ-OAHLLOKOSA-N 287.794 3.767 30 20 CHED COc1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1F 746124666 QTWIEAGHZGSWCQ-CYBMUJFWSA-N 298.361 3.899 30 20 CHED CCc1ccc(C(C)=NNc2nc3ccccc3[nH]2)cc1 915915492 OQJBQNUFSDUMJR-UHFFFAOYSA-N 278.359 3.961 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H](C)c2ccccc2)o1 745611828 KAJNYBRTFWFNLG-LBPRGKRZSA-N 282.347 3.871 30 20 CHED C=C(CC)CNc1ccc2c(cnn2C(F)F)c1 678611003 OEXXPKBGPVACAF-UHFFFAOYSA-N 251.280 3.810 30 20 CHED CC(C)CON=Cc1ccc(N2CCCCC2)s1 749636989 VNIMDPRDJPTORO-UHFFFAOYSA-N 266.410 3.745 30 20 CHED CCC[C@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 594006398 YTPNVQJMHWSSDY-QAPCUYQASA-N 298.430 3.918 30 20 CHED Clc1cccnc1NN=C/C=C/c1ccccc1 917549500 PWROYPYURASTCE-AGZRJRRYSA-N 257.724 3.846 30 20 CHED CCOc1ccc(/C=N\[C@H](C)c2cccc(C#N)c2)c(O)c1 743501267 HUKGVFYOSKOAMX-UAAGNOOKSA-N 294.354 3.843 30 20 CHED C=CCOc1ccc(OC(=O)Cc2ccc(C)cc2)cc1 742861028 VRBDJDFSMBOXGH-UHFFFAOYSA-N 282.339 3.708 30 20 CHED CC[C@H](C#N)N(C)C(=O)C(C)(C)CCCc1ccccc1 594091009 YVDWVLHEKUJLNX-MRXNPFEDSA-N 286.419 3.796 30 20 CHED C[C@H](C=NNc1cncc(Cl)n1)CCc1ccccc1 749158374 MVUGMBTXUVKIGM-LBPRGKRZSA-N 288.782 3.797 30 20 CHED O=[N+]([O-])c1ccccc1C/N=C\c1cc(Cl)ccc1O 915982724 ACXYAQWAMNWHRJ-SXGWCWSVSA-N 290.706 3.573 30 20 CHED C[C@@H]1N(C(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc2C1(C)C 596635688 COIZDWDPEPFXRO-MELADBBJSA-N 297.402 3.575 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593984937 DMBDFYSDJMQDNY-RKVPGOIHSA-N 298.430 3.822 30 20 CHED CCCCCCCC(=O)NC(C)(C)COC(C)C 840541441 BWAXYLUSQALSJR-UHFFFAOYSA-N 257.418 3.667 30 20 CHED C=CCN(CN1C(=O)c2cccc3cccc1c23)C(C)C 917481572 PKIMJESYEADFMB-UHFFFAOYSA-N 280.371 3.654 30 20 CHED CCOc1ccccc1OCCON=Cc1ccc(C)cc1 742350818 FDNPRRGITOHEAV-UHFFFAOYSA-N 299.370 3.823 30 20 CHED N#C[C@@H](C(=O)c1ccccc1)c1nc2cc(F)ccc2s1 592974560 UFGCKTVWDDYVHD-LBPRGKRZSA-N 296.326 3.925 30 20 CHED Cc1oc(C#N)cc1-c1nc(C2CCCCCC2)no1 592464602 ADIILWNZFOBNHI-UHFFFAOYSA-N 271.320 3.948 30 20 CHED C=CCCC(=NNc1nc2ccccc2n1C)C1CC1 747754012 YJKMKASAONNCOB-UHFFFAOYSA-N 268.364 3.717 30 20 CHED Cc1ccccc1C[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O 917556874 QDHVQRGDUQBWHQ-NCUBORBFSA-N 298.342 3.659 30 20 CHED CCC(=NNc1ccc(CC(=O)O)cc1)C1CCCC1 848414795 RNIZCYONCUBEEK-UHFFFAOYSA-N 274.364 3.682 30 20 CHED C=CCN(CC(=O)Nc1cccc2ccccc12)C(C)C 914684226 ZLAFJMXYZCRNKO-UHFFFAOYSA-N 282.387 3.675 30 20 CHED C[C@H]1C[C@H](C)N(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 740631927 FPWSULRKFZLFTE-UWVGGRQHSA-N 293.823 3.639 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCCC[C@@H]1CC(C)C 685551739 KMPOJUAXDOMIRG-OAHLLOKOSA-N 290.455 3.993 30 20 CHED C[C@@H]1N(C(=O)c2cc(C#N)cs2)c2ccccc2C1(C)C 598273956 IURZHAQVMNXVJB-NSHDSACASA-N 296.395 3.946 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N(C)CC(C)(C)C#N 599968631 MIWFXBAOUNZFIC-UHFFFAOYSA-N 296.370 3.877 30 20 CHED C=CCOCCCC(=O)N(CC)c1ccc(Cl)cc1 742528526 UTOIEEPGFOOPSU-UHFFFAOYSA-N 281.783 3.676 30 20 CHED CCCCCCCCNC(=N)NC[C@@H]1CCC(F)(F)C1 849097762 ZLXITOWIRVQJDW-CYBMUJFWSA-N 289.414 3.896 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)C(C)(C)C 595648530 WVFRRBGSHQUMBY-UONOGXRCSA-N 279.428 3.536 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 842376147 KHUCFIWYHNJPEJ-DZGCQCFKSA-N 286.371 3.676 30 20 CHED N#Cc1ccc(SCc2cc(Cl)nc(Cl)c2)nc1 920070859 JBXYNVYNWLNULW-UHFFFAOYSA-N 296.182 3.947 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)O[C@H](C#N)C(C)C 842298119 CQKNLSJLFDZBGY-KGLIPLIRSA-N 277.389 3.649 30 20 CHED C=CCCCC(=O)Nc1ccc(OC(F)F)c(OC)c1 856180320 IHSQRKAAXDTDBV-UHFFFAOYSA-N 285.290 3.591 30 20 CHED CCOc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1 924784517 WZTVWRBVXATPIN-CYBMUJFWSA-N 260.381 3.503 30 20 CHED C#CCCCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 757837260 QRRKCKGYACYZDI-UHFFFAOYSA-N 271.404 3.746 30 20 CHED C#CCC1(C(=O)N2CCc3cccc(C)c3C2)CCCCC1 759804534 JYAGLRJRZWGXIH-UHFFFAOYSA-N 295.426 3.854 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C(C)(C)c1ccc(F)cc1 851209896 KUIGCCNLBBYLAN-LBPRGKRZSA-N 291.366 3.975 30 20 CHED N#CC1(C(=O)Oc2cccc(-c3ccccn3)c2)CCCC1 851583879 SJLBLHWOBDGFTF-UHFFFAOYSA-N 292.338 3.738 30 20 CHED CCOC1CCC(=NNc2ccc3ccccc3n2)CC1 853260005 AAAONWALLDZOOA-UHFFFAOYSA-N 283.375 3.982 30 20 CHED C#CC[C@H](NC(=O)N1CCC(C)(CC)CC1)c1ccccc1 757771290 JDDVXNGBYNJNFZ-KRWDZBQOSA-N 298.430 3.973 30 20 CHED CCCn1nccc1/C=C1\COc2c(C)cc(C)cc2C1=O 853005484 QYLGHRDKOZIWSM-GXDHUFHOSA-N 296.370 3.569 30 20 CHED CCCOc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1F 858570594 MGQGNPDTLVVFCW-RYUDHWBXSA-N 262.328 3.719 30 20 CHED C#CCNc1ccccc1O[C@@H](C)c1ccccc1 754308076 LDFGBOULUDDVKP-AWEZNQCLSA-N 251.329 3.872 30 20 CHED C[C@@H]1CC(=NNc2ccc(C(F)(F)F)nn2)C[C@H](C)C1 754710320 SSMPCAFXWKFJGO-DTORHVGOSA-N 286.301 3.719 30 20 CHED CCCCCCCCNC(=O)CC[C@@H]1CC[C@@H](C)O1 754850437 NLAKDJFRFFMRHL-CABCVRRESA-N 269.429 3.811 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1C(=O)C#CC(C)C 855215827 ZPNFUUMRIDRIDK-INIZCTEOSA-N 269.388 3.626 30 20 CHED COC1(C(C)=NNc2ccccc2Br)CCC1 853286330 GSDDTJQMYKGNQQ-UHFFFAOYSA-N 297.196 3.806 30 20 CHED C=CCCCC(=O)Nc1ccc(-c2ocnc2C)cc1 928817282 IVNMPUHHRJBVJY-UHFFFAOYSA-N 270.332 3.945 30 20 CHED CCCCCCCCNC(=O)c1cccc(CN(C)C)c1 755216671 XAGWNPWHTRJXLV-UHFFFAOYSA-N 290.451 3.839 30 20 CHED C#CC[C@@H](NC(=O)/C=C\c1ccccc1F)c1ccccc1 757579756 OYMNPRLJPYLFFN-SWNWVQGVSA-N 293.341 3.720 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)CC2(C)CC2)c1 758264820 NAJQHQRZGREGNM-UHFFFAOYSA-N 293.366 3.984 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(COc2ccccc2)c1 757205629 BHGDXZZJZXSHLD-CQSZACIVSA-N 296.370 3.962 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 851084864 YBVQOGANTWBVLB-TXCZRRACSA-N 283.371 3.724 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)C1CCCC1 851210276 SZYOSRPRTCWKAU-VXGBXAGGSA-N 251.370 3.684 30 20 CHED COc1cccc2c1C/C(=C/c1c(F)cccc1F)C2=O 759665261 OFDSMRYVKQANNN-KTKRTIGZSA-N 286.277 3.796 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1ccccc1 757576298 CRUBAIXSWSCUAR-PVAVHDDUSA-N 269.388 3.694 30 20 CHED C=C[C@](C)(CC)COC(=O)CCCc1cccnc1 850977455 VFWYWJWCTHTKEZ-MRXNPFEDSA-N 261.365 3.550 30 20 CHED COCc1cccc(/C=C\C(=O)c2cc(C)ccc2O)c1 757469050 YUKIIWJCHKLISK-CLFYSBASSA-N 282.339 3.743 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 758515924 HEZXDZAIKGOHNC-LBPRGKRZSA-N 289.331 3.967 30 20 CHED CC(F)(F)c1ccccc1NC(=O)N1CCC[C@H](C#N)C1 931632607 UMGKSGDJBKHYCF-LLVKDONJSA-N 293.317 3.566 30 20 CHED CC(=NN=C[C@H](C)c1cccc(Cl)c1)c1cnccn1 763358561 VCZDTRJKYPHSRH-NSHDSACASA-N 286.766 3.729 30 20 CHED Cc1sc(Cl)nc1C(=O)N(CCC#N)CC(C)(C)C 762902210 ZYMDHTZKZIWGPN-UHFFFAOYSA-N 299.827 3.507 30 20 CHED C#CCCCCCc1nc([C@@H]2CCOc3ccccc32)no1 762072699 VRKQFORKXQCROY-OAHLLOKOSA-N 296.370 3.720 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1COC(C)(C)C 932534694 OVZAKAHIKZUBBQ-GFCCVEGCSA-N 276.380 3.698 30 20 CHED C=CC[C@H](Cc1ccccc1)n1cc(C(=O)CCC)nn1 864630847 NGMASTFYPNXSQU-OAHLLOKOSA-N 283.375 3.621 30 20 CHED CCO[C@H]1CCCC1=NNc1ccccc1Br 766434009 JNVGBKGFPZQOBU-ZDUSSCGKSA-N 297.196 3.806 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(C)c2c1C(=O)C[C@H]2C 1117832579 RECZHWKLKMAEGV-SNVBAGLBSA-N 294.297 3.802 30 20 CHED CC(CCN(C)C)=NNc1cc(Cl)ccc1Cl 767385407 OROUVTNINOCJQH-UHFFFAOYSA-N 274.195 3.733 30 20 CHED C=CCOc1ccc(COC(=O)[C@H]2Cc3ccccc32)cc1 763642326 XFBXVBSGCBXJBD-SFHVURJKSA-N 294.350 3.635 30 20 CHED Cc1scc(COC(=O)[C@@]2(C#N)CC23CCCC3)c1C 876117507 UWZPRQCVFSGDBH-INIZCTEOSA-N 289.400 3.882 30 20 CHED O=C(O)c1ccc(/C=C2\Cc3ccc(Cl)cc3C2=O)cc1 762448417 WLYSTZCEOUNOLH-NTUHNPAUSA-N 298.725 3.861 30 20 CHED Cc1ccc(C2=CCN(Cc3cccc(C#N)n3)CC2)cc1 876553814 ZGCOSEOQLKVLSY-UHFFFAOYSA-N 289.382 3.551 30 20 CHED CCN(c1ccc(NCc2cccc(C#N)n2)cc1)C(C)C 876820761 TYKQETSETMNNAO-UHFFFAOYSA-N 294.402 3.800 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 779923389 PSUFBQGALBSPBU-KRWDZBQOSA-N 285.431 3.934 30 20 CHED C#CCCCCCCNc1cccc(N2CCOC2=O)c1 876520720 OPHCQJNWCCTDQB-UHFFFAOYSA-N 286.375 3.639 30 20 CHED CN(C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)c(Cl)c1 876168159 JRCXEGBTDLJGKF-UONOGXRCSA-N 288.778 3.611 30 20 CHED COc1ccccc1CC(C)=NOC1CCCCC1 777459266 OQFWRVDSEGPERF-UHFFFAOYSA-N 261.365 3.963 30 20 CHED CCCCCCCc1nnc(CC(F)(F)F)o1 1117225924 KSAZOMNEHAPLLC-UHFFFAOYSA-N 250.264 3.687 30 20 CHED COc1ccc2cc(C(C)=NOC3CCOCC3)ccc2c1 774429781 DQYYJZBRCRVCMR-UHFFFAOYSA-N 299.370 3.768 30 20 CHED C#CCOc1ccccc1CN[C@@H](CCC=C)C1CC1 772987857 LXMWVMWLZRCRRT-KRWDZBQOSA-N 269.388 3.533 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H](C)CC1CCCC1 775952544 JPTXGKCUQDYNIC-CQSZACIVSA-N 285.387 3.854 30 20 CHED C[C@@H](CCC#N)CNc1ccc(OCC2CC2)cc1 876826471 VSYBQJFTRPSODM-ZDUSSCGKSA-N 258.365 3.827 30 20 CHED CCCC(=CC(=O)N(CCC#N)C(C)C)CCC 770727095 WZPGXQZNASAANE-UHFFFAOYSA-N 250.386 3.664 30 20 CHED C=C(C)[C@H](NC(=S)N[C@@H](C)CC)c1ccc(F)c(F)c1 774207113 RJRASGUZBILTBX-HZMBPMFUSA-N 298.402 3.845 30 20 CHED C#CCCCCCC(=O)N1CCCc2cc(F)ccc21 779831468 CERRHQYMMBLKOD-UHFFFAOYSA-N 273.351 3.689 30 20 CHED COc1cccc(NN=C(C)c2oc3ccccc3c2C)n1 779817632 LBANOVLLAASEDR-UHFFFAOYSA-N 295.342 3.981 30 20 CHED CC(C)c1cccc(C/N=C\c2ccc(O)c(O)c2O)c1 773905934 LIOKFTYSGUAQQF-ZDLGFXPLSA-N 285.343 3.546 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccncc1 779944946 UEPZGWFQNNNPMY-ABFRBSLYSA-N 286.419 3.887 30 20 CHED CCC(CC)CNN=C1CCC(C(=O)OC(C)(C)C)CC1 774472890 IMBXYNGMHDCWQN-UHFFFAOYSA-N 296.455 3.900 30 20 CHED CSCc1ccccc1NC(=O)c1cc(C#N)ccc1C 1127963736 XUPMAVAWNOUNSA-UHFFFAOYSA-N 296.395 3.982 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1cnc(C)s1 773122590 AMGYFZNJEZXRSX-ZDUSSCGKSA-N 265.426 3.734 30 20 CHED C#CCCCCCC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 779855882 CPJAFLKAXUAPMZ-UKRRQHHQSA-N 273.376 3.603 30 20 CHED N#Cc1ccc(OCc2ccccc2OC(F)F)cc1 74392693 VMWQTESHZXXMKH-UHFFFAOYSA-N 275.254 3.739 30 20 CHED Cc1ccc2nc(/C=C\C(=O)C3CCCCC3)cn2c1 789130094 KNFOXMMRNGDOOF-HJWRWDBZSA-N 268.360 3.805 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)/C(F)=C/C1CCCCC1 1123337430 QNURJRKHVZFWOK-JFBXQDQPSA-N 289.354 3.513 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1nn(C(C)C)cc1Cl 889552130 DPXTYCCEQQEURL-LLVKDONJSA-N 298.818 3.984 30 20 CHED CCCC[C@@H](C)C(=O)N(CCC#N)CC(C)(C)C 503290725 MNFYNSCIRVRBOC-CYBMUJFWSA-N 252.402 3.601 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCCCC(C)(C)C#N 784426332 IOFDSHXNMBJPDX-GFCCVEGCSA-N 253.386 3.932 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1cncs1 787172759 PCYLUBVMNCPUFI-DUXPYHPUSA-N 294.719 3.601 30 20 CHED N#C[C@@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 896505173 ZBBNVOMKKANCGA-LBPRGKRZSA-N 275.421 3.536 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 786343242 ITSMEFGWMLPRHA-HZSPNIEDSA-N 263.381 3.828 30 20 CHED C=CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C 783530240 XHJKKIJMJLICNV-UHFFFAOYSA-N 268.744 3.645 30 20 CHED C=CCCCCCOC(=O)c1cn(C)nc1-c1ccoc1 789264432 SCZKMPAQFVLIFI-UHFFFAOYSA-N 288.347 3.583 30 20 CHED CCc1cccc(Cl)c1C=NN[C@H]1CCOC(C)(C)C1 788725679 JADBWCCGKUJQNQ-ZDUSSCGKSA-N 294.826 3.784 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc(F)c2cccnc12 782288610 QZGYLMFIUMONKN-OAHLLOKOSA-N 285.366 3.876 30 20 CHED CC(C)(C#N)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 781468920 BQJSCBPCJIMEQW-UHFFFAOYSA-N 296.370 3.753 30 20 CHED C=CCN(C(=O)c1cccc(Cl)c1C)C(C)C 782481514 GASAAHNVIMSSOM-UHFFFAOYSA-N 251.757 3.685 30 20 CHED CCOc1ccccc1NCc1cc(C#N)cs1 93492657 HXWRKCWJFZEGAN-UHFFFAOYSA-N 258.346 3.631 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2C2CCCCC2)cn1 301543891 WDHQGTNLMOGFMJ-MRXNPFEDSA-N 255.365 3.502 30 20 CHED C=CCC1(c2nc(C3(COC)CC3)no2)CCCCC1 897049053 IELODTWBNWEOBM-UHFFFAOYSA-N 276.380 3.526 30 20 CHED CCc1cccc2c1OC/C(=C\c1ccc(Cl)nc1)C2=O 794728013 LSORGANHWPSELB-MDWZMJQESA-N 299.757 3.956 30 20 CHED C=CC[C@@H](CC)NCc1cc(Cl)cc(F)c1O 798958756 JZKJPBUZZPSEHB-LLVKDONJSA-N 257.736 3.629 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cc(C)c(C)o1 799875591 IGXHMPHKFWAPJQ-UHFFFAOYSA-N 253.305 3.604 30 20 CHED COCCN(C)N=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 794965937 GQAIARHDDFVZNZ-GOEBONIOSA-N 274.408 3.524 30 20 CHED C=CCOCCOC(=O)c1cc(C(C)C)nc2ccccc12 797297293 SBXSTBCYXYZDDY-UHFFFAOYSA-N 299.370 3.718 30 20 CHED Cc1cc(C#N)nc(N2CCC[C@@H]2c2ccccc2)c1 891661782 WCUPPVMBRGSLGG-MRXNPFEDSA-N 263.344 3.603 30 20 CHED C=CCCCCOc1ccc([N+](=O)[O-])cc1C(C)=O 557246236 SOACJTHTFDOINX-UHFFFAOYSA-N 263.293 3.533 30 20 CHED C#Cc1cccc(N(C(=O)C2CC(C)(C)C2)C(C)C)c1 796442810 QENURQAAMLNKLA-UHFFFAOYSA-N 269.388 3.846 30 20 CHED CC1(c2ccccc2)CCC(=NNc2ncncc2F)CC1 793211006 FVEZTOWAZZYFDE-UHFFFAOYSA-N 298.365 3.916 30 20 CHED C=CCCCCC[C@H](C)NC[C@H](O)c1ccsc1 793530448 AOXUSVDGMAGUCM-ZFWWWQNUSA-N 267.438 3.896 30 20 CHED CCOc1cccc(/C=C2\COc3cc(F)ccc3C2=O)c1 794728596 RYSXOWSGNYSTIM-MDWZMJQESA-N 298.313 3.883 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H](C(C)C)CC2)cc1C#N 799336915 ZKJPDICQMHLMDA-HNNXBMFYSA-N 284.403 3.765 30 20 CHED CC(=NNc1ncncc1F)c1cccc(CC(C)C)c1 793212106 USUGMZLLYFJWSF-UHFFFAOYSA-N 286.354 3.650 30 20 CHED CCCC[C@@H](CC)C(=O)NO[C@H](C)c1ccc(C#N)cc1 794725423 GLVHLUYYCGVZGH-UKRRQHHQSA-N 288.391 3.883 30 20 CHED C=CCCCCC[C@H](C)NCc1cccc(C(=O)NC)c1 793522155 AABJOUQXWRQMAU-HNNXBMFYSA-N 288.435 3.661 30 20 CHED CC[C@H]1CC(=NNc2ncnc(Cl)c2C(C)C)CCO1 797404134 HFSSCIMHWNIIBB-NSHDSACASA-N 296.802 3.610 30 20 CHED C=CCN(CC=C)Cc1cc(-c2ccccc2)on1 674709203 IGGKJNHXCKNLIB-UHFFFAOYSA-N 254.333 3.516 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2cccc(C(F)F)c2)o1 794715300 UYYPCTXXUTUGTI-UHFFFAOYSA-N 296.229 3.676 30 20 CHED CC1(C)CC(=NNc2ncccc2F)c2ccoc2C1 794990750 PEIQJLXMTUHUIC-UHFFFAOYSA-N 273.311 3.602 30 20 CHED CC[C@](C)(C#N)C(=O)OCC1CCC(C)(C)CC1 797151296 QMHPCBIAAUJOEZ-OAHLLOKOSA-N 251.370 3.686 30 20 CHED CCCCCCCOC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 795818824 FRPCRUBWFKTQSE-KRWDZBQOSA-N 298.386 3.754 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2OC(C)C)no1 791431236 HSNWTFRLIQEDBF-HJWRWDBZSA-N 271.316 3.666 30 20 CHED CCCCCCCCN1CCC[C@@H](N2CCCC2)C1 740878018 NUJQBAPBSGDNFG-QGZVFWFLSA-N 266.473 3.907 30 20 CHED CCCCCCCS(=O)(=O)N1CC[C@H]1c1ccccc1 799760426 JETXHGPYFYKLGM-INIZCTEOSA-N 295.448 3.734 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(C)c(C#N)c1)[C@H](C)CC 799363517 HFHJJQAUFUGZLL-OKILXGFUSA-N 272.392 3.906 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1F 91061621 SNOGOFYWVHXRQW-GFCCVEGCSA-N 278.371 3.815 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(C(F)(F)F)ccc1C 91480091 GVNONIHWCNMFRM-SECBINFHSA-N 270.254 3.502 30 20 CHED C#CCOc1cccc(NC(=O)c2csc(Cl)c2)c1 786184882 KYUHZBFOTNTMOE-UHFFFAOYSA-N 291.759 3.666 30 20 CHED Cc1cc(C#N)cc(NCc2nc3ccccc3o2)c1 1308438973 XIKVEYXFDUZMRZ-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C[C@H](CC#N)NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1318736735 NVYZJJDQUAUICR-SECBINFHSA-N 299.201 3.689 30 20 CHED C=C(Cl)CNCc1ccc(NC(=O)OC(C)(C)C)cc1 1560348931 QURBSEPQJKNHAJ-UHFFFAOYSA-N 296.798 3.876 30 20 CHED CC(C)[C@@H](Nc1cccc(CC#N)n1)c1ccccc1 1323958874 MWEBUUAMPCVSFS-QGZVFWFLSA-N 265.360 3.957 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 1337487460 CFHFFCJAFGFZNG-PMPSAXMXSA-N 291.435 3.585 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(C(C)(F)F)CC1 1331448396 MDZHCPAXKGZBOJ-UHFFFAOYSA-N 285.359 3.698 30 20 CHED C#C[C@H](NC(=O)C1(C(C)(F)F)CC1)c1ccc(Cl)cc1 1331321506 GZWPPYQHDCHIST-LBPRGKRZSA-N 297.732 3.566 30 20 CHED C=CC[C@H]1CCCN(C(=O)C(C)(C)Oc2ccccc2)C1 1334780859 DHRWNCRIERZVKV-HNNXBMFYSA-N 287.403 3.659 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nnc(C2CCC2)o1 1261576124 FNJWNZFTUKJQEU-NSHDSACASA-N 267.332 3.555 30 20 CHED C[C@H]1COc2ccccc2[C@@H]1OC(=O)CCCCCC#N 1261137475 LQPSQYRBMIXFLT-SUMWQHHRSA-N 287.359 3.773 30 20 CHED C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1cccs1 1269290265 UUJIJIOODFASPX-JSGCOSHPSA-N 284.384 3.623 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1csc(C(C)C)n1 1347520662 BRZTUTPXIDUSOJ-LBPRGKRZSA-N 278.421 3.837 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)c1nccs1)c1cccs1 1343903349 ZWERMATXXSPVAZ-ONGXEEELSA-N 292.385 3.652 30 20 CHED N#Cc1cc(C(=O)NCCC2CCC(F)(F)CC2)cs1 1342676232 OLAXUJVHLLCCOT-UHFFFAOYSA-N 298.358 3.565 30 20 CHED C#C[C@H](CC)NC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 1261660463 OJHPQDRPMQFRMJ-SCTDSRPQSA-N 296.414 3.509 30 20 CHED N#C[C@H](OC(=O)c1ccc(Cl)c2occc12)C1CC1 1344124627 LNUCKJZBEYJTGU-LBPRGKRZSA-N 275.691 3.545 30 20 CHED CCCC[C@@H](C(=O)Nc1ccc(C#N)cc1)C(C)C 1352715792 XFVXHACGHZWGOM-OAHLLOKOSA-N 258.365 3.959 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]3CCCC[C@H]32)c1 217666043 SKJWGHFWLIXAHV-DLBZAZTESA-N 254.377 3.713 30 20 CHED N#CC1(CC(=O)N[C@H]2C[C@H]2C2CCCCC2)CCCCC1 1435332643 KWRJIUPFMYNWJZ-HOTGVXAUSA-N 288.435 3.936 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)Cc2cccs2)cc1C#N 1515134148 NFEYTSUEGXTMNR-ZDUSSCGKSA-N 298.411 3.631 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 1526493428 CMCGBBVMFCNLID-UHFFFAOYSA-N 296.757 3.805 30 20 CHED CC[C@H](CC(=O)Nc1cc(C#N)ccc1F)C(C)C 1528040104 BQSQRZUMQJTDCJ-GFCCVEGCSA-N 262.328 3.708 30 20 CHED Cc1cc(C)c(/C=C\CN2CCC[C@H](C#N)C2)c(C)c1 1462574608 XNCIZQZTJVFQBS-XTKXOIQPSA-N 268.404 3.861 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccccc1 1467712066 CTEBGNSQQBHKBE-JLJPHGGASA-N 286.419 3.824 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1cc2c(ccc3ccccc32)o1 1527366358 WURKRDUQZXKEBT-NSHDSACASA-N 278.311 3.570 30 20 CHED CC(C)C[C@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1524157188 NCKPDDXWSQVFEH-WBVHZDCISA-N 284.403 3.578 30 20 CHED C[C@H]1CCC[C@H](C(=O)Nc2cc(C#N)c(F)cc2F)C1 1535867183 CKSCVWSYPFRIIH-UWVGGRQHSA-N 278.302 3.601 30 20 CHED N#CCCSCc1c(C(=O)O)sc2ccccc12 1601068568 GWFGFRCFFNUQAN-UHFFFAOYSA-N 277.370 3.746 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](C(=O)O)[C@H]1C 1605267622 ZHDHHZMAJBNRKB-CABCVRRESA-N 297.439 3.839 30 20 CHED CCOc1ccccc1N(C)CCc1ccc(C#N)cc1 1616389073 CEWKCNHIZULLKJ-UHFFFAOYSA-N 280.371 3.636 30 20 CHED CC(C)(NC(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1625454591 BMXDIOWZDYVTCO-UHFFFAOYSA-N 297.333 3.754 30 20 CHED C=C(Cl)CNCc1ccc(OC(F)F)c(Cl)c1 1620809590 GFUZRODFESXUNS-UHFFFAOYSA-N 282.117 3.784 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(O[C@H](C)CC)cc2)n1 1559080501 JPPLMASCUFQGIR-GFCCVEGCSA-N 296.374 3.832 30 20 CHED CCCC[C@H](CCC)Nc1nccc(C#N)c1[N+](=O)[O-] 230186161 NMXVMNBIGUFFPN-LBPRGKRZSA-N 276.340 3.632 30 20 CHED CCc1nc(C#N)cc(NCC(C)(C)Cc2ccccc2)n1 1651525615 JUKBJMPUZDHDRH-UHFFFAOYSA-N 294.402 3.591 30 20 CHED CCc1cccc(N(C)C(=O)c2ccc(C#N)cc2F)c1 1584429704 UYRARPMAVSTYOI-UHFFFAOYSA-N 282.318 3.536 30 20 CHED CCC[C@@H](CN(CC)[C@@H](C)c1ccc(C#N)cc1)OC 1657445093 UKMHFYUTHKOZIA-YOEHRIQHSA-N 274.408 3.756 30 20 CHED CCC(=O)c1ccc(NC(=O)c2cc(C#N)ccc2F)cc1 1587377104 MKSTVJAXPZBVDB-UHFFFAOYSA-N 296.301 3.542 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccc(/C=C/C(=O)O)o2)c1 1776133713 MTDLCUDDCFYCKK-FIFLTTCUSA-N 296.322 3.890 30 20 CHED C=CCCCN(C)c1c(C(=O)O)cnc2c(C)cccc12 1776207662 BFCWPLGJQSJANJ-UHFFFAOYSA-N 284.359 3.644 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@@H]2C=CCCCCC2)C1 1776154620 OGGPSMDZNVSOFS-NVXWUHKLSA-N 277.408 3.618 30 20 CHED CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2(C#N)CCCC2)cc1 151666035 KTLCZJFOAKQKHT-IRXDYDNUSA-N 296.414 3.866 30 20 CHED C=CC1CCN(C(=O)[C@H](C)c2cccc(C)c2)CC1 151973586 ZWZQASKKXOEGLV-CQSZACIVSA-N 257.377 3.523 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)c1 207716529 PFIGNOXROWZOSK-XQRVVYSFSA-N 283.714 3.813 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cn1 209234062 KZDFHTHTXGPVLU-HYXAFXHYSA-N 281.142 3.623 30 20 CHED C#CC[C@@H]1CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 829815884 VGPJDPMGZVXWND-NJAFHUGGSA-N 253.389 3.525 30 20 CHED N#Cc1cc(NC2CC(F)(F)C2)ccc1C(F)(F)F 277270368 XWEQNYKAZOGDDZ-UHFFFAOYSA-N 276.208 3.787 30 20 CHED C#CCCCNCc1ccc(-c2ccc(F)cc2)o1 174611294 LILVDXSORBSFJW-UHFFFAOYSA-N 257.308 3.589 30 20 CHED CCC1(C(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 176472307 WMCCMOPCMXFZQF-UHFFFAOYSA-N 262.740 3.730 30 20 CHED CSc1ccc(OCCOc2ccccc2C#N)cc1 70160616 RFRJHDCRMOBUTO-UHFFFAOYSA-N 285.368 3.738 30 20 CHED CCCN(CC#N)Cc1cscc1C(F)(F)F 356067780 RQCXMFNUXSSTTF-UHFFFAOYSA-N 262.300 3.502 30 20 CHED CSCC1CCC(NCCc2cccc(C#N)c2)CC1 449302772 KWMQWNYUFZNSTI-UHFFFAOYSA-N 288.460 3.612 30 20 CHED Cc1nc(N2CC(C)(C)[C@H]3CCC[C@H]32)c(Cl)cc1C#N 393463313 KSUHZUCNKIFIDO-GXTWGEPZSA-N 289.810 3.930 30 20 CHED Cc1ccsc1-c1noc(Cc2ccc(C#N)cc2)n1 395475850 MJUNETQJVZEYDO-UHFFFAOYSA-N 281.340 3.569 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc(F)c(F)c2)cn1 58465429 GINHYTOZKBSQFY-GQCTYLIASA-N 276.286 3.638 30 20 CHED C=CCNC(=O)CSc1cccc2cccc(Cl)c12 8316827 PZQWBEHQUFUYKD-UHFFFAOYSA-N 291.803 3.888 30 20 CHED CCN(C(=O)c1sccc1C#N)c1cc(C)ccc1C 52030259 SASIONXOYMASEV-UHFFFAOYSA-N 284.384 3.903 30 20 CHED COCCCOc1cccc(/C=C/C(=O)c2ccco2)c1 119001455 SPOPVSGYSIDYCI-CMDGGOBGSA-N 286.327 3.591 30 20 CHED CCN(C(=O)C[C@@H]1C=CCC1)[C@H](C)c1ccc(C#N)cc1 58712894 VAWDEXYKQISEGT-HUUCEWRRSA-N 282.387 3.824 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCCC1 55891202 ACNFUAJQSAIPEE-UHFFFAOYSA-N 287.403 3.790 30 20 CHED C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(C#N)cc1 26111298 ZZXACIMGBIMKPI-LBPRGKRZSA-N 290.322 3.795 30 20 CHED C=CC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 110361770 YCZPQHJHEVJMAQ-UHFFFAOYSA-N 269.388 3.533 30 20 CHED C[C@H](N(C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1(C)CC1 175874171 UNHOYXKYVOUEKC-JTQLQIEISA-N 291.782 3.864 30 20 CHED CC[C@@H](CNCc1ccc(C#N)s1)c1ccccc1 176942309 JZMKCKJVNAQMBM-ZDUSSCGKSA-N 270.401 3.903 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccc(F)cc1Cl 119873935 VLBHXBGDCOWEBL-LLVKDONJSA-N 281.758 3.850 30 20 CHED Cc1cc(N(C)C)ccc1Nc1ccc(Cl)c(C#N)n1 301507749 HLVLXGXXGQCVHP-UHFFFAOYSA-N 286.766 3.725 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)Cc2ccc(C#N)cc2)c1 171719232 URJDVUARCBIQLE-OAHLLOKOSA-N 292.382 3.595 30 20 CHED C=CCCCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 175276606 WRLDUFPHFFMDEH-UHFFFAOYSA-N 292.404 3.593 30 20 CHED C=CCCCC(=O)Nc1ccccc1N1CCCC1 175200004 LKYUJGUJULODPO-UHFFFAOYSA-N 258.365 3.582 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)c1cc(C#N)cs1 176870699 KOLZMDIBRKDRRQ-LLVKDONJSA-N 282.368 3.601 30 20 CHED C[C@@]1(CNc2c(Cl)cccc2C#N)CCCC[C@@H]1O 301488058 IYIOHMPSHOBHKF-ZFWWWQNUSA-N 278.783 3.565 30 20 CHED C[C@@H](C#N)CNc1ccnc2ccc(Br)cc12 302039718 HJPXDCKDSQBAPF-VIFPVBQESA-N 290.164 3.569 30 20 CHED Cc1ccc(C[C@H](C)Nc2ncccc2C#N)c(C)c1 301209444 RRXHUSGADUTHKY-AWEZNQCLSA-N 265.360 3.613 30 20 CHED N#Cc1cccc(N[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 301385295 VMXMHBLVVAIBHE-NVXWUHKLSA-N 277.371 3.777 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)OCC1(CC#N)CC1 174751049 BHTQGAKKXJQYSR-INIZCTEOSA-N 285.387 3.738 30 20 CHED COc1ccccc1-c1nnc(SCCCCC#N)o1 123867957 ZTFISSWLYDENLX-UHFFFAOYSA-N 289.360 3.531 30 20 CHED C=C[C@@H](CC(=O)Nc1ccccc1OC)c1ccccc1 121543270 YDKUKKWUDJGBQU-AWEZNQCLSA-N 281.355 3.994 30 20 CHED N#Cc1ccc(C[S@](=O)Cc2cccc(Cl)c2)cc1 124876834 TUYHAFCVMQJIQJ-LJQANCHMSA-N 289.787 3.661 30 20 CHED Cc1cccc(O[C@H](C)CNc2c(C#N)cccc2C#N)c1 302904948 VMLBQSSYDPMWDR-CQSZACIVSA-N 291.354 3.618 30 20 CHED C=C(C)COc1cccc(NCc2cn3ccccc3n2)c1 129279063 CJTLRRFWFRZXPO-UHFFFAOYSA-N 293.370 3.901 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 180448705 GZTALJRNFSJEAV-BJMVGYQFSA-N 283.302 3.680 30 20 CHED C=CCC[C@@H](NCc1ccc(Cl)nc1)C1CC1 120317992 PVXJKEHCJVMVTL-CYBMUJFWSA-N 250.773 3.569 30 20 CHED C=CCC[C@@H](NCC1(CCO)CCCCC1)C1CC1 121598498 XJZOVMODIDQPCF-MRXNPFEDSA-N 265.441 3.654 30 20 CHED C=CCC[C@H](Nc1cccc(NC(C)=O)c1)C1CC1 182713861 MAWRXAUQBXVXAT-INIZCTEOSA-N 258.365 3.802 30 20 CHED CC(C)(C(=O)NCc1cc(C#N)ccc1F)C1CCCC1 124635497 NZLBENIWOXGNIH-UHFFFAOYSA-N 288.366 3.530 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCO[C@H](C2CC2)C1 122141872 AZTHMDOUNSHYBF-HOTGVXAUSA-N 281.440 3.811 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Cn1ccc2ccccc21 505355521 JMODEMSVAHFUQS-HNNXBMFYSA-N 284.403 3.702 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCCC[C@H](C)C1 187618594 PLLKNXJCJJKYIH-LBPRGKRZSA-N 271.364 3.521 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@H](C)c1c[nH]c2ccccc12 410836487 RVBIGKOZYKRYAU-KBPBESRZSA-N 297.402 3.812 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1csc(C2CC2)n1 182559269 BWJIABOQVQEVNG-LLVKDONJSA-N 299.399 3.923 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2C#N)CC[C@H]1C 410555066 GEPQEYNOMRQOSR-WOPDTQHZSA-N 274.339 3.708 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 414103182 NKFVXRLGOUSEQX-VXGBXAGGSA-N 296.436 3.715 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cn1 30523225 MUNJLSRMIUMGRE-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1csc(C)n1 76723214 PLXHCKSEMUIHMG-UHFFFAOYSA-N 283.400 3.511 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)Cc1ccccc1Cl 187896306 MWOXDMMWQPEXDX-MRXNPFEDSA-N 295.810 3.527 30 20 CHED CCCCS[C@@H](C)C(=O)N(CCC#N)C(C)(C)CC 189928329 PZNWUBAQUAYYON-ZDUSSCGKSA-N 284.469 3.839 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1csc(Cl)c1 189245915 CMHFVOMEEIIRAB-UHFFFAOYSA-N 284.812 3.803 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2ccc(C)cc2)n1CC 127855074 NBSJDEJVFYBNIT-CYBMUJFWSA-N 286.404 3.668 30 20 CHED Cc1cc(C#N)ccc1CSCc1c(C)noc1C 185990455 ATNPTLPUGSNUBV-UHFFFAOYSA-N 272.373 3.905 30 20 CHED Cc1ccc(CCN[C@H]2CCC[C@@H](C#N)C2)c(C)c1 185800858 KLTWYWSHHMQOGU-WBVHZDCISA-N 256.393 3.518 30 20 CHED C#CCCCCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 120123156 FTZIMQUMTGWLRJ-KRWDZBQOSA-N 296.414 3.859 30 20 CHED Cc1ccc(COc2ccc(CNC[C@H](C)C#N)cc2)cc1 183820902 RVMRFFWIEVOXCT-MRXNPFEDSA-N 294.398 3.823 30 20 CHED CC(C)(CC#N)CNc1cncc(-c2cccs2)n1 413416020 XNLURTHUPAZANC-UHFFFAOYSA-N 272.377 3.557 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCCC[C@@H]1CC 458808379 IGDYLERJDLGWAL-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C#CCC(C)(C)C(=O)N1CCc2c(cccc2C(C)C)C1 189981769 NTSCXHRQIFWYIA-UHFFFAOYSA-N 283.415 3.744 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)NCC#Cc1ccccc1 503309982 KCEUSVLQAZBUCU-QGZVFWFLSA-N 283.415 3.761 30 20 CHED C=C(C)CN(CC)Cc1cc2c(cc1SC)OCCO2 505863432 CUAROKKOSZXOSZ-UHFFFAOYSA-N 293.432 3.578 30 20 CHED CCN(Cc1occc1C)C(=O)Nc1cccc(C#N)c1 414417385 REOQBKYHDXHTBZ-UHFFFAOYSA-N 283.331 3.514 30 20 CHED O/C(CCc1nc2ccccc2o1)=N/C1CCSCC1 329532996 XQGBRSDJBYYICX-UHFFFAOYSA-N 290.388 3.613 30 20 CHED Cc1nc(C)c(CNc2cc(C#N)ccc2C)s1 88868227 KRNWXBSNFHLPEU-UHFFFAOYSA-N 257.362 3.552 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCCc2ccccc21 44340474 NVFMWGDPDGZWDL-MRXNPFEDSA-N 257.377 3.531 30 20 CHED C=C(Br)CN[C@@H](C)c1cccc(C)c1 88162306 JMYNOFOPJJHSJQ-NSHDSACASA-N 254.171 3.554 30 20 CHED CCN(C)c1ccc(/C=C/C(=O)c2ccc(C)cc2)cn1 191203764 ONOQCAWYDTXSMM-YRNVUSSQSA-N 280.371 3.742 30 20 CHED C=C(C)CCc1noc(CCCOc2ccc(F)cc2)n1 508620826 QVGWALXZYWNTSV-UHFFFAOYSA-N 290.338 3.729 30 20 CHED CCOc1cc(F)ccc1NCc1ccc(C#N)c(F)c1 190347416 OWSWWSNOGYOYTB-UHFFFAOYSA-N 288.297 3.847 30 20 CHED Cc1csc(CSCCOc2ccc(C#N)cc2)n1 88305840 VGMTWKRWVBCSAS-UHFFFAOYSA-N 290.413 3.635 30 20 CHED C=CCNC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 47606622 NPBAZTWURQBTGG-OAHLLOKOSA-N 294.398 3.692 30 20 CHED C=CCOc1ccccc1C(=O)N(CCC)CCC 193099798 UMEKTYNLDURTIA-UHFFFAOYSA-N 261.365 3.514 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1c(C)noc1C)CO2 194580113 CBCAYBYNJNNLKI-NTUHNPAUSA-N 283.327 3.567 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@H](C)CC(C)(C)C 42530499 FUYRSMHRKHYVGX-ZDUSSCGKSA-N 252.402 3.599 30 20 CHED C=CCCCCCNc1ccc(S(=O)(=O)CC)cc1 195447416 FUOIEDHNCAWSAA-UHFFFAOYSA-N 281.421 3.639 30 20 CHED C=CCC[C@@H](NC(=O)Cc1ccc(C)nc1)c1ccccc1 133728651 AQWJYXGDUVZESP-GOSISDBHSA-N 294.398 3.756 30 20 CHED Cc1nc2ccc(N=C(O)[C@@H]3C[C@@H]3C3CCCCC3)cn2n1 328750835 CFIBROWWQSUCJI-HUUCEWRRSA-N 298.390 3.842 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc(OC(F)(F)F)cc2)C1 192626598 BXDBHWLMWUFMSS-OLZOCXBDSA-N 298.308 3.757 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC(C)(C)CC 190681797 AWTBQYXFBFGTAU-UHFFFAOYSA-N 280.437 3.882 30 20 CHED CCC1(/C(O)=N/Cc2noc(C3CC3)n2)CCCCC1 329608694 CQAWNKRESJMCAI-UHFFFAOYSA-N 277.368 3.764 30 20 CHED N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccs2)c1 43329911 UNPNXKZKTYZOIP-CQSZACIVSA-N 297.383 3.989 30 20 CHED CC(C)(C)CCCCNC(=O)Nc1cccc(C#N)c1 519145382 JXMDIGBBJLGYLO-UHFFFAOYSA-N 273.380 3.896 30 20 CHED N=C(O)C1(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 329171360 KKDHXFHFCPZUPZ-SDDRHHMPSA-N 264.369 3.617 30 20 CHED Cc1nc(C)c(C/N=C(/O)[C@@H]2CSc3ccccc32)o1 329151403 AWYAFAIIVQRONU-GFCCVEGCSA-N 288.372 3.637 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 84600796 GAFINYQOVFSSFV-GUYCJALGSA-N 280.371 3.608 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 424604554 HJGFPCGUGPEFLT-CYBMUJFWSA-N 293.794 3.882 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(C(=O)OC)c1Cl 425615704 ZUYUQLXEVTVFAY-UHFFFAOYSA-N 295.766 3.667 30 20 CHED C=C(C)CSc1nnc2cc(C)c3ccccc3n12 47821659 VBGQUKQMSBHPGV-UHFFFAOYSA-N 269.373 3.859 30 20 CHED C#CCCCN[C@H](C)c1ccc(Br)c(F)c1 381476865 RDMWIUKOLMODMO-SNVBAGLBSA-N 284.172 3.652 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCCC(F)(F)C1 512733114 DTRYRBIQVSEFTD-LLVKDONJSA-N 259.340 3.530 30 20 CHED N#Cc1ccc(SCCOc2ccccc2C#N)cc1 48835058 AXKGHRQBEZIPPK-UHFFFAOYSA-N 280.352 3.601 30 20 CHED Cc1cc(NC(=O)Nc2ccc(C#N)cc2)c(C)c(C)c1O 191013417 AJLSBROXAREMAT-UHFFFAOYSA-N 295.342 3.833 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCSc3c(F)cccc32)C1 424318279 CXALVOKXHITRNU-WDMOLILDSA-N 276.380 3.644 30 20 CHED C[C@H](N[C@H]1CCCc2c(O)cccc21)c1ccc(C#N)cc1 192353529 ZMOXDZQIZLGDQQ-UGSOOPFHSA-N 292.382 3.992 30 20 CHED COCCCCNc1ccccc1SC[C@@H](C)C#N 89660339 NGGBXITWEFOBSJ-ZDUSSCGKSA-N 278.421 3.777 30 20 CHED Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(C#N)s1 335020506 DAENHBZETDDCBF-MRXNPFEDSA-N 298.411 3.932 30 20 CHED C[C@H](CC#N)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 194643687 VZTMYHSIVLNBNL-SSDOTTSWSA-N 296.157 3.507 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)NCC(C)(C)C 510697952 IWXLVZVKGZYTJR-UHFFFAOYSA-N 289.379 3.513 30 20 CHED C[C@@H]1CC[C@H](CNc2nc(Cl)c(C#N)s2)C1 230431054 ZUXVJKIZYANRFQ-SFYZADRCSA-N 255.774 3.516 30 20 CHED Cc1ccc(-c2n[nH]cc2CNc2ccc(CC#N)cc2)o1 237687328 GYNGRWYBWKRTLK-UHFFFAOYSA-N 292.342 3.656 30 20 CHED CC[C@H](O)C/N=C(/O)c1cc(C)n(C2CCCCC2)c1C 330667881 JLDBAOFSLPKELV-HNNXBMFYSA-N 292.423 3.686 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)o1)c1ccc2c(c1)CCCC2 427992526 BSGADZOSKIMWCZ-LBPRGKRZSA-N 294.354 3.521 30 20 CHED C[C@H]1c2ccsc2CCN1c1ccc(C#N)c([N+](=O)[O-])c1 94593084 PWFBTOKWIMFNGV-JTQLQIEISA-N 299.355 3.652 30 20 CHED N#CC[C@@H](CC(=O)N[C@H]1CC12CCCCC2)c1ccccc1 332934111 FZMHDOBPNHHTRI-IRXDYDNUSA-N 296.414 3.913 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 96766379 DEQHXABAESHYPB-UTCJRWHESA-N 288.690 3.539 30 20 CHED C=CCOCCN1CCC[C@H]1c1nc2ccccc2s1 293546599 QTYCIONBADCSMT-AWEZNQCLSA-N 288.416 3.636 30 20 CHED Cc1cccc2cc(C(=O)N[C@@H]3CC[C@H](C#N)C3)sc12 335601733 YOUAOHMUENSRNB-WCQYABFASA-N 284.384 3.632 30 20 CHED Cc1ccccc1[C@@H]1CN(CC(C)(C)CCC#N)CCO1 93478632 HHUHGUYKLZIYFM-KRWDZBQOSA-N 286.419 3.698 30 20 CHED CSC1(C/N=C(/O)c2occc2C(C)C)CCOCC1 330467083 IIMARMUEPYVACO-UHFFFAOYSA-N 297.420 3.620 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(-c2cnn(C)c2)s1 338953612 SNJUKVQIZGLWIU-AWEZNQCLSA-N 287.432 3.689 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCc2ccc(Cl)cc21 435674127 PUAMKNDVHNOEPT-COXVUDFISA-N 291.822 3.898 30 20 CHED Cc1ccc(CNc2cnccc2C#N)c(OCC2CC2)c1 91737078 VWRABLPDUBPKDP-UHFFFAOYSA-N 293.370 3.663 30 20 CHED C[C@@H](CNCc1cc(C#N)cs1)c1ccccc1 93492105 CSECMFHCCKEKLB-LBPRGKRZSA-N 256.374 3.513 30 20 CHED Cc1cccc(CN(C)CC#Cc2ccc(Cl)cc2)n1 437899922 XXCACOTZNNRHDQ-UHFFFAOYSA-N 284.790 3.527 30 20 CHED CC[C@H](N/C(O)=N/[C@@H]1CC[C@@H](C)C1)c1nc(C)cs1 331215749 DBVGJAWCOITZKW-JLLWLGSASA-N 281.425 3.595 30 20 CHED CCN(Cc1ccc(Br)c(C)c1)C[C@H](C)C#N 91982734 MXOFZALMAUAYTF-LLVKDONJSA-N 295.224 3.739 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H]2CC23CCCC3)cc1C#N 435358379 ZGFKJDDEUOPAHU-OAHLLOKOSA-N 298.386 3.864 30 20 CHED CCCC[C@H](CC)CNc1snc(C)c1C#N 233058922 PHELHKWBPXFKJO-NSHDSACASA-N 251.399 3.952 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccc(-c2cncnc2)cc1 436402776 AWWFMAZHPCWIIQ-UHFFFAOYSA-N 297.321 3.631 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C1 434017889 VCCMQROAKYATQA-CBBWQLFWSA-N 276.424 3.599 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ncsc1C(C)C 346509903 RWCPNRCVHGFFSK-UHFFFAOYSA-N 285.372 3.699 30 20 CHED CCN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@H](C)c1ccc(C#N)cc1 248343680 KPMGEDPCCZDOQG-VZEFYGNVSA-N 282.387 3.514 30 20 CHED C=CCOc1ccc(C(=O)N(CC)C2CCCC2)cc1 249680489 ALSGVAAAMWRPIW-UHFFFAOYSA-N 273.376 3.656 30 20 CHED N#Cc1ccc(Oc2ncnc3cc(F)c(F)cc23)cc1 345892519 VPMQOGUSSDPUCP-UHFFFAOYSA-N 283.237 3.572 30 20 CHED C=CCCCCNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 437768368 BCUUIXSCUOXAQQ-LSDHHAIUSA-N 292.810 3.851 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)Cc1cccc(C#N)n1 602663812 WDVJZJYGDRODAU-KRWDZBQOSA-N 295.386 3.545 30 20 CHED C=CCCOc1ccc(Br)cc1C(=O)CC 606755697 FXISZVCBFDUFQW-UHFFFAOYSA-N 283.165 3.997 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-c2cccs2)o1 341296463 BKIZGJAZZMNUPK-SNVBAGLBSA-N 261.346 3.703 30 20 CHED CCc1nc2c(s1)[C@@H](N(C)C[C@H](C)CCC#N)CCC2 602480400 VXFMGLBINDKBHF-OCCSQVGLSA-N 291.464 3.955 30 20 CHED C=CCCCN1CCC(Oc2cccc(F)c2)CC1 528575400 SMXILMXJHZCDQX-UHFFFAOYSA-N 263.356 3.635 30 20 CHED C[C@H](Nc1c(C#N)cccc1C#N)c1ccc(Cl)cn1 343230408 UURGRHYDINEXPS-JTQLQIEISA-N 282.734 3.651 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C1C[C@@H](C)C[C@H](C)C1 348526734 WTERDOJIZSPLCY-KBPBESRZSA-N 278.440 3.990 30 20 CHED C=CCCN(C)C(=O)CCCOc1ccc(Cl)cc1 342008362 HICBLHMUIADPLT-UHFFFAOYSA-N 281.783 3.534 30 20 CHED COc1cccc(/C=N\Cc2nc3ccccc3s2)c1O 255542530 YCZHQNDIEORHAE-MFOYZWKCSA-N 298.367 3.630 30 20 CHED Cc1ccc(C)c(C=NNc2nc3ccccc3[nH]2)c1 254617934 DVACIKKUQUWKQB-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C=CCCCOc1ccccc1C(=O)N1CCCCC1 522747473 GWBBMGNYICOKTP-UHFFFAOYSA-N 273.376 3.658 30 20 CHED Cc1ccc(C#N)c(NCc2ccc3[nH]c(C)cc3c2)n1 343860079 NNVWFHITLLTEDX-UHFFFAOYSA-N 276.343 3.664 30 20 CHED N#Cc1csc(/C=C\C(=O)c2ccc(F)cc2F)c1 255778174 SXFXUDCQEYKQHZ-RQOWECAXSA-N 275.279 3.794 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C[C@H]1C[C@@H]1c1ccccc1 341153488 XZEDDQRSZJWJCB-IAGOWNOFSA-N 298.430 3.969 30 20 CHED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCCC1 347579372 DFPNGZHOKBASQW-MRXNPFEDSA-N 284.403 3.865 30 20 CHED CC[C@H](N[C@@H]1C[C@@](C)(OC)C1(C)C)c1ccc(C#N)cc1 447561353 HYPKHMJZAXHSEW-LZLYRXPVSA-N 286.419 3.803 30 20 CHED Cc1ccc(C=NOCc2cn3ccccc3c2C#N)cc1 255684508 MPHNRSLQQNIHHZ-UHFFFAOYSA-N 289.338 3.670 30 20 CHED Oc1ccccc1/C=N\CC1(c2ccccc2)CCOCC1 255362175 KRIBJZWYGNJBJA-ZHZULCJRSA-N 295.382 3.560 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(CCCC)cc1 448563083 MQURLSMAEXVZQZ-CVEARBPZSA-N 273.376 3.559 30 20 CHED C[C@@H](CN(C)Cc1cc(C#N)ccc1F)c1ccccc1 608976587 AJANMGNLCUQCGM-AWEZNQCLSA-N 282.362 3.933 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCc1nccs1 255712548 HVIAZFUITDIZHG-BOPFTXTBSA-N 282.368 3.664 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](C)C1 444133682 FTOTVSAXPYFTEZ-RHSMWYFYSA-N 299.418 3.667 30 20 CHED CC(C)N(C)c1ccc(-c2ccc(C#N)s2)cn1 600777834 UQZQSCQRRCEQSR-UHFFFAOYSA-N 257.362 3.526 30 20 CHED Cc1cncc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1 442671453 LNALZZVOGUWJOU-UHFFFAOYSA-N 293.414 3.920 30 20 CHED C[C@H](CCC#N)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 602582997 SZLXJGHFQRAALV-RYRKJORJSA-N 286.419 3.684 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCS1)c1ccco1 353395651 QMIRRUGXASJVRC-STQMWFEESA-N 251.395 3.772 30 20 CHED CC1(C)CCCN(C[C@H]2CCC3(CCCCC3)O2)[C@@H]1C#N 444728809 RLOWCGGXJUHCEO-HZPDHXFCSA-N 290.451 3.882 30 20 CHED C=CCSCC(=O)NCCc1ccc(C(C)(C)C)cc1 532412747 LUNWVQYAJHOIAR-UHFFFAOYSA-N 291.460 3.562 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cncc(F)c2)cc1 352945956 HPTAMMDORHUUDA-CYBMUJFWSA-N 286.350 3.636 30 20 CHED C[C@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)C1CC1 267187346 XSSOJGQNKXFRQG-QPUJVOFHSA-N 297.185 3.720 30 20 CHED CC1(C)CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 530756817 JIZPEKWBLSXNGC-UHFFFAOYSA-N 294.345 3.782 30 20 CHED CC(C)N(CCC(C)(C)C#N)Cc1cccc(F)c1 539567486 FWRQNJDPANIHDU-UHFFFAOYSA-N 262.372 3.976 30 20 CHED CN(C(=O)CCSc1ccccc1)c1ccccc1C#N 359197838 BQFPNJHJOOHUNA-UHFFFAOYSA-N 296.395 3.703 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1cccc(F)c1)C(C)(C)C 538233146 JRTVXNUWWCNFOZ-HOTGVXAUSA-N 279.399 3.830 30 20 CHED CCN(CCC#N)Cc1cnc(C2CCCCC2)s1 535069490 ZQDVKHRRVIJYGU-UHFFFAOYSA-N 277.437 3.926 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(COCC3CC3)c2)C1 442860192 RTHUXEUAAJKPHW-YOEHRIQHSA-N 270.376 3.717 30 20 CHED C=CC(C)(C)CNCc1nc2ccc(Cl)cc2n1C 449486152 QNSPPIBUNPKAMW-UHFFFAOYSA-N 277.799 3.529 30 20 CHED N#Cc1ccc(/C=C/c2nc(CC3=CCCC3)no2)cc1 355440174 LSDRCMYBUAXYBO-MDZDMXLPSA-N 277.327 3.764 30 20 CHED C=CCC[C@H](N[C@H](C)CN(CC)CC)c1ccco1 353513113 FAPCSGCKIYSSKE-CABCVRRESA-N 264.413 3.607 30 20 CHED N#Cc1ccc(NCc2coc3ccccc23)cc1[N+](=O)[O-] 357504426 PTNFVMYXARGPSQ-UHFFFAOYSA-N 293.282 3.825 30 20 CHED CCN(Cc1cccc2c(OC)cccc12)C[C@@H](C)C#N 449012988 ADUQEKJXJNZAOE-AWEZNQCLSA-N 282.387 3.830 30 20 CHED C[C@@]1(F)CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 356120490 DMMCEQQWBLWFIZ-CYBMUJFWSA-N 286.272 3.511 30 20 CHED CC#CCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 619160144 GAHBRGXGSYPGEA-DZGCQCFKSA-N 275.779 3.506 30 20 CHED Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)CCC#N)cc1 351836349 WJGOCSABRRTRBN-CQSZACIVSA-N 287.407 3.685 30 20 CHED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H]1CCCCO1 613429003 DROPRWJRRIOBQA-TZMCWYRMSA-N 287.407 3.620 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C/c1ccsc1Cl 358691095 WVMGALGOWCRFBC-HNQUOIGGSA-N 290.731 3.537 30 20 CHED N#C[C@@H]1CCC[C@H](NCC2(Cc3ccc(F)cc3)CC2)C1 618571444 QRPPYYVPUWBKJJ-WBVHZDCISA-N 286.394 3.820 30 20 CHED CC(C)Oc1ccc(Cl)cc1NC(=O)N(C)CCC#N 353715610 VZJZKHFGSOCRLH-UHFFFAOYSA-N 295.770 3.505 30 20 CHED C=CCOCCCSCc1ccccc1OC 356048467 XCVCHXJZCWUGJF-UHFFFAOYSA-N 252.379 3.521 30 20 CHED C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 353349440 RKAADYDTIPOGTB-BFYDXBDKSA-N 284.403 3.578 30 20 CHED COc1cc(C#N)cc(Cl)c1OCC1CCCC1 533255114 VGOOVKKXINLSJE-UHFFFAOYSA-N 265.740 3.789 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@H](C(C)C)C1)C1CC1 537935112 UPQBCGJETQPMLH-PMPSAXMXSA-N 251.414 3.524 30 20 CHED CC(C)c1occc1C(=O)N[C@H](C)c1cccc(C#N)c1 619493266 TVEGAPBGGIMFGK-GFCCVEGCSA-N 282.343 3.766 30 20 CHED CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2)C1(CC)CC 537313054 VVNTZJLMSIWDNZ-DLBZAZTESA-N 286.419 3.632 30 20 CHED CCC[C@H](CN1CC[C@@](F)(C#N)C1)c1ccccc1 615652026 VULKYMJXTGHBPM-HZPDHXFCSA-N 260.356 3.508 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)NCC(C)(C)CCC#N 454959208 MAYADHWVBORPAI-LSDHHAIUSA-N 293.455 3.832 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@](C)(C#N)C1 612162203 GAFRXNZWGGPNAF-GOSISDBHSA-N 281.403 3.613 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cccc(C2CC2)c1 453357787 NWFOCQVHHKAHJA-SUMWQHHRSA-N 259.393 3.542 30 20 CHED C#CCCCC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 365449712 CZKMHIGVXNDDOH-UHFFFAOYSA-N 287.790 3.759 30 20 CHED C=C(C)CCN[C@H](Cc1ccncc1)c1ccc(OC)cc1 453320832 PKRUUVNHEPTTDC-LJQANCHMSA-N 296.414 3.930 30 20 CHED CC(C)(C)OC(=O)Oc1cc(Cl)ccc1C#N 268567049 POXWQBPHRBRIGW-UHFFFAOYSA-N 253.685 3.526 30 20 CHED C=CCOc1ccc(CN(C[C@H](O)CC)C(C)(C)C)cc1 531888734 AWNXRTGFNLWRRV-MRXNPFEDSA-N 291.435 3.623 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1nccn1CC)c1ccco1 453336722 FLDCRWOVXJTYDD-UONOGXRCSA-N 273.380 3.854 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)Nc1cccc(CC#N)c1 455923027 RWWLXEDWYQNPMI-HIFRSBDPSA-N 285.391 3.700 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)c1ccc(Cl)s1 610540923 QBRADSIEFXXZDN-UWVGGRQHSA-N 284.812 3.559 30 20 CHED COCCC(C)(C)CNc1nc(C(C)(C)C)ccc1C#N 613430210 AQNBHKQDBHXLQQ-UHFFFAOYSA-N 289.423 3.725 30 20 CHED Cc1cccc2c(N3CCSC(C)(C)C3)c(C#N)cnc12 610575901 WIDZYBHVEVIUKK-UHFFFAOYSA-N 297.427 3.747 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccc(C#N)cc1 542545450 UYOPAUDGCVPJSB-VWPFQQQWSA-N 299.418 3.743 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCC1(C)C)c1cccc(C#N)c1 613884887 VSFHENSIMOEYHQ-WFASDCNBSA-N 270.376 3.562 30 20 CHED C=CCCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 541286144 JCAXKAGMCAZPOK-UHFFFAOYSA-N 275.226 3.959 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1CCOC2(CCC2)C1)c1ccccc1 275073035 VPNKECUDKRWJHG-IAGOWNOFSA-N 299.414 3.564 30 20 CHED Cc1ccc([C@@H]2CCCCCN2C(=O)CC(C)(C)C#N)o1 278361734 OHBQAXAPDBUYCJ-AWEZNQCLSA-N 288.391 3.972 30 20 CHED N#CC1(CSCCOc2ccc(F)cc2Cl)CC1 540619232 RDDMSCATWJVPJY-UHFFFAOYSA-N 285.771 3.895 30 20 CHED Cc1ccnc(N(CCc2ccc(F)cc2)C2CC2)c1C#N 541275732 XCWZHPKGYZNPFA-UHFFFAOYSA-N 295.361 3.612 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@@H](C)Sc1ccccc1 543107357 HTCOVKVPEBFFAF-KGLIPLIRSA-N 292.448 3.821 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 540483352 MAPRIEUGGCCADR-ZNMIVQPWSA-N 296.455 3.624 30 20 CHED N#CCCCCNC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 362844649 VRAHMOXAYDUEPI-SJORKVTESA-N 299.418 3.706 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 451377479 NUHPHSVZKDSDER-RDTXWAMCSA-N 288.435 3.745 30 20 CHED C=CCCc1noc([C@H]2CCCc3sccc32)n1 453239726 SSNZVNSXQIHBOK-NSHDSACASA-N 260.362 3.718 30 20 CHED C=CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1Cl 451044173 VMHOAEDJHPFHHO-QMMMGPOBSA-N 290.215 3.776 30 20 CHED N#CCC[C@@H](Nc1ncc(C(F)F)cn1)c1ccccc1 450393435 RBUAYIZMDMAHQS-CYBMUJFWSA-N 288.301 3.871 30 20 CHED CC#CCCNC(=O)Nc1ccc(OCCC(C)C)cc1 541776242 FHKHTEQEIVWTLM-UHFFFAOYSA-N 288.391 3.646 30 20 CHED C#CC[C@H](N[C@@H](C)c1cccc(CO)c1)c1ccccc1 271874347 HADOGIXJZNBSJF-KXBFYZLASA-N 279.383 3.594 30 20 CHED C=C(CC)CNC(=O)Nc1ccc2nn(C(C)C)cc2c1 454899606 SSCUEYHBUQMZBI-UHFFFAOYSA-N 286.379 3.705 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] 460373944 IWWJGESCDOQYFM-UHFFFAOYSA-N 290.363 3.722 30 20 CHED CCC(CC)N(C(=O)CSCC#N)c1cccc(C)c1 279897373 JBEZHGMJOZTNBA-UHFFFAOYSA-N 290.432 3.773 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccccn2)CCCC1(C)C 277529215 DIUYPDHJBGDCTO-CYBMUJFWSA-N 273.380 3.680 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1/C=C/c1ccccc1 371602941 VFLWOHHGNXUFBJ-DVQDXYAYSA-N 275.355 3.635 30 20 CHED Cc1c(Cl)cnc(N2CCCC[C@@H]2C(C)C)c1C#N 541272491 BKBNEJSQXWBOMF-CQSZACIVSA-N 277.799 3.930 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1CC 540486276 XUIGDTDERIICSP-BFHYXJOUSA-N 252.402 3.609 30 20 CHED CCCOC1(CNc2nccc(C)c2C#N)CCCCC1 542280512 PHCYJNCJFVPKPE-UHFFFAOYSA-N 287.407 3.803 30 20 CHED CC(C)c1ccoc1C(=O)N(C)c1ccc(C#N)cc1 283962526 NEKPYIDNNNCRQQ-UHFFFAOYSA-N 268.316 3.551 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C)oc1C 280713369 DTMHLBDJQKPWEE-XPKDYRNWSA-N 263.381 3.528 30 20 CHED CCc1cccc(OCCCC2(C#N)CCOCC2)c1 281289855 JECSKRWQDNJDEP-UHFFFAOYSA-N 273.376 3.728 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](N[C@H]1CCC[C@H](C#N)C1)C2 463293271 GSBDCLPTVHXNCQ-JGFGOLAASA-N 260.425 3.873 30 20 CHED C#CCC1(c2nc([C@H]3CCCS3)no2)CCCCC1 288904005 BPHZSIDHWGIRLY-GFCCVEGCSA-N 276.405 3.863 30 20 CHED CCC[C@H](N=c1[nH]ccc(C#N)c1Cl)c1ccccc1 552911296 URAJVWLOKLAJPR-AWEZNQCLSA-N 285.778 3.982 30 20 CHED C=CCOCCCNC(C)(C)c1ccc(Cl)cc1 551424870 PXQBDQMKWJLQIY-UHFFFAOYSA-N 267.800 3.757 30 20 CHED N#Cc1ccnc(N2CCC(c3ccc(F)c(F)c3)CC2)c1 287652618 CCEJQZJJMXXTTR-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=CCCCCNC(=O)N[C@@H](CC)c1cccs1 472833349 NRRBNKLBTODZKW-LBPRGKRZSA-N 266.410 3.855 30 20 CHED CCCCCC[C@@H](C)CC(=O)Nc1n[nH]c(C)c1C#N 807393717 NXRRSYSJZNFWOE-LLVKDONJSA-N 276.384 3.525 30 20 CHED C=CCCCCCCCCNC(=O)c1cc[nH]c1C 807843394 IUAQECFVAPBSKS-UHFFFAOYSA-N 262.397 3.970 30 20 CHED N#CCCCC(=O)Nc1cc(C(F)F)ccc1Cl 291439847 YWNLELTWEUUVOS-UHFFFAOYSA-N 272.682 3.910 30 20 CHED CC/C=C(\C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 298616297 ZKOIWJWJXOFCJZ-WUXMJOGZSA-N 295.304 3.529 30 20 CHED Cc1c(Br)cccc1CN[C@H]1CC[C@H](C#N)C1 568239585 PJVLWIXKNCHZHN-AAEUAGOBSA-N 293.208 3.539 30 20 CHED CC(C)(C#N)CCCCn1cnc(Cl)c1Cl 809962549 GNXGVQURXQYDMV-UHFFFAOYSA-N 260.168 3.910 30 20 CHED Cc1csc(NC(=O)N2CCC(C(C)C)CC2)c1C#N 562478074 AABZKMVLLNTODJ-UHFFFAOYSA-N 291.420 3.828 30 20 CHED Cc1cccc2cc(C(=O)OCC(C)(C)C#N)sc12 808997216 BZHYFFVYGJZMHG-UHFFFAOYSA-N 273.357 3.916 30 20 CHED Cc1cccc(Cl)c1C[S@@](=O)CCC(C)(C)C#N 567361199 JSIHXHBMWBJHMK-SFHVURJKSA-N 283.824 3.837 30 20 CHED C=CCC1(C(=O)NCCOc2ccccc2Cl)CCC1 478338806 JIJPCMQZFZDZJV-UHFFFAOYSA-N 293.794 3.581 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2ccncc2C)cc1 292695868 GHNKMWZCJWRCOM-HNNXBMFYSA-N 268.385 3.925 30 20 CHED C=C(C)COC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801895595 KRLSBXIQYIDMTA-NSHDSACASA-N 276.229 3.835 30 20 CHED C=C(C)COCCNC(=O)[C@H](CC)CC1CCCCC1 475371280 PDKWFAQQRKVJDC-MRXNPFEDSA-N 281.440 3.692 30 20 CHED C#Cc1ccc(CNCCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 809605546 DXEPWXQZHDQQIH-HDICACEKSA-N 298.474 3.516 30 20 CHED CC#CC(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 801139997 YFRJBZCSKWYHQL-UHFFFAOYSA-N 299.301 3.588 30 20 CHED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)NCCC#N 807185055 YNQDZEJBTGBCKI-OAHLLOKOSA-N 287.407 3.637 30 20 CHED C=CC[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccncc1 806818962 KGSWIRAEMGNPBX-ZOBUZTSGSA-N 299.418 3.530 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C)s2)cc1 290257649 UUEXZRNALAWDCZ-CQSZACIVSA-N 284.384 3.614 30 20 CHED C[C@@H]1CC[C@H](C=NNc2ncccc2C(F)(F)F)C1 800809990 DCGGJNISYSOBQF-ZJUUUORDSA-N 271.286 3.934 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1ncccc1C#N 563745235 CPAWZOKTDOSIJJ-OCCSQVGLSA-N 257.381 3.604 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 819529541 OYGJQXQBNHRYIN-GXFFZTMASA-N 290.234 3.631 30 20 CHED C#C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 811516544 OZHIVLHIWKKULY-QGZVFWFLSA-N 297.785 3.739 30 20 CHED Cc1nc2ccccc2c(=O)n1N=C[C@H](C)C1CCCCC1 814701368 WJGTUXROHLSKLS-ZDUSSCGKSA-N 297.402 3.755 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@@H]2CCC[C@H](C)C2)cn1 818803386 USDCUPGUNUMZTG-MAUKXSAKSA-N 298.430 3.884 30 20 CHED C=C(C)CCNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 650928219 WXXXZMCKLNUPOE-UHFFFAOYSA-N 293.235 3.680 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2cccc(C#N)c2)CS1 814787093 VHQAIFJDJGEKIB-CQSZACIVSA-N 273.405 3.878 30 20 CHED C=C[C@@H](CC(=O)OCc1cccnc1C)c1ccccc1 810887336 MFLOUAPAWJBPQG-HNNXBMFYSA-N 281.355 3.793 30 20 CHED Cc1nc(C=NNc2ccccc2Br)cs1 812462259 JVSMFIDOQDANBZ-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C[C@H](CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)C1CC1 813215521 HQTNGHTWBRYICT-SKDRFNHKSA-N 296.292 3.713 30 20 CHED CC[C@@H](CC#N)NCCOc1ccc(Cl)cc1Cl 570580132 MYOAQTLRFPHNGO-NSHDSACASA-N 287.190 3.654 30 20 CHED COCc1ccccc1/C=C(\C)C=NOCC(C)C 814224503 IHQMSUURZOGMOG-BSDLSSIISA-N 261.365 3.895 30 20 CHED FC(F)C(Cc1ccccc1)=NOC/C=C/Cl 811669523 FWNZSXGPTOFVCB-IJMVIOGMSA-N 259.683 3.619 30 20 CHED CCCCCc1ccc(NC(=O)NCC2(C#N)CC2)cc1 577340054 PZAMAULOYHGCLF-UHFFFAOYSA-N 285.391 3.845 30 20 CHED COc1ccc([C@@H](C)C(=O)Nc2ccccc2CC#N)cc1 573462769 GHWXAAJJIMCFPL-CYBMUJFWSA-N 294.354 3.503 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NC2(CF)CCC2)cc1 570394867 RVZPJGXWIIFMNJ-UHFFFAOYSA-N 289.354 3.501 30 20 CHED COC[C@H](C)NN=C(C)Cc1c(Cl)cccc1Cl 814895456 MFMVSSXCHKQCBY-JTQLQIEISA-N 289.206 3.536 30 20 CHED COc1ccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 576674938 ZODOHERLIHWERS-YJYMSZOUSA-N 292.382 3.905 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCCC(C)(C)CO 657886304 DRYZXALOXIHANH-LSDHHAIUSA-N 253.430 3.510 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C\c1cccc(F)c1 729444684 AVFKLTQACFMEAX-HJWRWDBZSA-N 288.366 3.627 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1ccc(F)cc1F 815311818 ZIVOJBPPNIDMMZ-MRVPVSSYSA-N 276.229 3.780 30 20 CHED Cc1cc(SCCCSCC#N)ccc1C#N 573920184 ILLGFXJRRZKQBJ-UHFFFAOYSA-N 262.403 3.606 30 20 CHED CCOCCON=C(C)Cc1c(Cl)cccc1Cl 814907357 GDVXZCVTSSTZCZ-UHFFFAOYSA-N 290.190 3.965 30 20 CHED CC[C@H](C)NN=C1CC[C@@H](c2ccccc2)C[C@H]1OC 814912962 DMQDYISUOOYPAN-YSVLISHTSA-N 274.408 3.713 30 20 CHED C=CCCC[C@H](C)NC(=O)N1Cc2cc(F)c(F)cc2C1 654519802 LXGNWNYSDBGIHX-NSHDSACASA-N 294.345 3.735 30 20 CHED C=CCCOC(=O)c1ccc(OC2CCCC2)c(OC)c1 729072221 DDRXFUATPVEMPS-UHFFFAOYSA-N 290.359 3.750 30 20 CHED C=CCC[C@@H](CCC)NCc1cccnc1N1CCCC1 658100771 KZPHSAJTITUQBT-QGZVFWFLSA-N 287.451 3.906 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](C)C#N 579386631 YRWHUGYCDUCDNI-XCCIUEIHSA-N 276.424 3.647 30 20 CHED C=CCCCCCN(C)C(=O)/C=C(\C)c1ccco1 828453527 GDFLMJNTJDPIGA-BUHFOSPRSA-N 261.365 3.888 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc2c(C)cccc2[nH]1 657455541 UWXOACZIFALSEG-KSSFIOAISA-N 284.403 3.547 30 20 CHED C=CCCCCN1CCC([C@H](O)c2ccc(F)cc2)CC1 827777269 ABVFUAGRKZSBMK-GOSISDBHSA-N 291.410 3.927 30 20 CHED CC(C)(CNC(=O)N1CCC(CCC#N)CC1)C1CCC1 572635936 NFSAAIJQWHIOBL-UHFFFAOYSA-N 291.439 3.538 30 20 CHED C=CCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 726497372 RCTJNNFPXJVSLU-UHFFFAOYSA-N 295.338 3.811 30 20 CHED C=C(C)C(C)(C)C(=O)OCCCCCn1cc(C)cn1 821447855 MHGDKLYKSMAYJR-UHFFFAOYSA-N 278.396 3.507 30 20 CHED CC(C)(C)CN(CCC#N)Cc1scnc1C1CC1 494922308 KSYOHYOLJUXTPA-UHFFFAOYSA-N 277.437 3.782 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)CCCCCC#N 588633692 HAUOUMMSPUCJFV-GJZGRUSLSA-N 264.413 3.888 30 20 CHED N#CCc1ccc(NC(=O)[C@]23CCC[C@H]2C3)c(Cl)c1 581124874 DJDBVWQHOTZDRD-NHYWBVRUSA-N 274.751 3.535 30 20 CHED CC1(C)/C(=C\c2ccc(F)nc2)C(=O)c2ccccc21 588523769 FIXREMGMQUQJEB-ZROIWOOFSA-N 267.303 3.778 30 20 CHED C#CCCCCC(=O)N(OC)[C@H](C)c1ccccc1C 820034151 RLDRUIRDMSTOCW-OAHLLOKOSA-N 273.376 3.640 30 20 CHED C#CC1CCN(C(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 825985310 GXFZHARGKCKWHF-GOSISDBHSA-N 298.430 3.747 30 20 CHED C#Cc1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 900338265 TVYMJYKJDLQGLU-ZDUSSCGKSA-N 279.339 3.627 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H](C)c1ccc(Cl)cn1 820712716 PYQDSDQMRGKWHS-JTQLQIEISA-N 267.756 3.942 30 20 CHED C[C@]1(CC(=O)Nc2cccc(CC#N)c2)CC1(Cl)Cl 837074091 YOUNXBCFWNXDOO-ZDUSSCGKSA-N 297.185 3.665 30 20 CHED N#CC1(CCCCn2ccc(C(F)(F)F)n2)CCC1 902701688 LAVQEYHEBPCRRY-UHFFFAOYSA-N 271.286 3.766 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Oc1ccc(C#N)cc1 732727118 ZSHWQTDSFAEMAM-INIZCTEOSA-N 279.339 3.733 30 20 CHED C=CCSc1ccccc1C(=O)N(C)c1ccc(C)cn1 581573156 HVPBVRWYXIKHMB-UHFFFAOYSA-N 298.411 3.945 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc(C#N)s1 588489107 VOQCMLBEPXNKFV-PLNGDYQASA-N 275.354 3.586 30 20 CHED CC[C@@H](NCCC(F)(F)F)c1cccc(C#N)c1 902835466 HIRSXWIBQRBBKR-GFCCVEGCSA-N 256.271 3.551 30 20 CHED N#C[C@@H]1CCC[C@H](NC2[C@H]3CC[C@H]2Cc2ccccc2C3)C1 588231249 WRQSVNOJJMFSQG-FCLVOEFKSA-N 294.442 3.852 30 20 CHED CN(C(=O)C1CC(C)(C)C1)c1cc(Cl)ccc1C#N 584677774 PDBOGKHSGDDMCS-UHFFFAOYSA-N 276.767 3.611 30 20 CHED CCC(C)(C)OCC(=O)Nc1cc2ccccc2cc1C#N 839436827 JUQBMUWCSBYUPG-UHFFFAOYSA-N 296.370 3.855 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1F)c1ccco1 588542514 BRRLLJXNAGIQTO-XQRVVYSFSA-N 250.656 3.968 30 20 CHED C#CCN(CC)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730484748 BXPVZFFUNDAURJ-STQMWFEESA-N 296.197 3.579 30 20 CHED N#Cc1cc(N2CCC[C@H](c3ccc(F)c(F)c3)C2)ccn1 599119867 VYIJUOAKZCJQRE-ZDUSSCGKSA-N 299.324 3.615 30 20 CHED CSc1ccc(CSC[C@@H](O)CC(C)(C)C#N)cc1 598700862 GUYWJSXTSANABL-ZDUSSCGKSA-N 295.473 3.942 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cnc(C2CC2)s1 748934687 YOHBGWGDXPJBAM-UHFFFAOYSA-N 298.367 3.558 30 20 CHED Cc1cc(-c2ccccc2)ccc1NC(=O)CSCC#N 915150051 GCVZKTOCEXYSQJ-UHFFFAOYSA-N 296.395 3.857 30 20 CHED C=C(CNC(=O)Nc1cccc(F)c1C)c1ccccc1 672688864 NKKKYWFCVBFXIM-UHFFFAOYSA-N 284.334 3.969 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1scnc1C)C2=O 742433325 WAVKHDBTILEFAT-KPKJPENVSA-N 255.342 3.582 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CCO[C@@H](C)C1 847744822 ZAPSFLNAEFFQSK-OLMNGRFOSA-N 280.408 3.726 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(SC)c(Cl)c1 844551026 CHSBIVYGUBATOM-MRVPVSSYSA-N 286.784 3.690 30 20 CHED CCS[C@@H]1CCC[C@@H]1N[C@@H](C#N)c1ccccc1 595483917 JPBGUAYCIBCVLN-SOUVJXGZSA-N 260.406 3.515 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CC[C@H]2SCCS[C@H]12 846754859 UVBDVUWEMGYTOC-RBSFLKMASA-N 290.457 3.658 30 20 CHED CC(C)(C)c1ccc(C/N=C\c2ccc(O)c(O)c2O)cc1 745623902 CCUNARGYDFFFPA-ODLFYWEKSA-N 299.370 3.720 30 20 CHED C[C@]1(C=NNc2ccc(Cl)nn2)C[C@@H]1c1ccccc1 841605783 UYJFZAFDZPPTRZ-IUODEOHRSA-N 286.766 3.722 30 20 CHED C=C(C)COC(=O)[C@@H](C)c1ccc(Br)s1 744041195 WWZRHRPAXGORCD-QMMMGPOBSA-N 289.194 3.733 30 20 CHED Cc1ccccc1-n1c(C)nnc1SCC1(CC#N)CC1 594879985 DVBKQKVXNFSCLU-UHFFFAOYSA-N 298.415 3.670 30 20 CHED N#CC[C@H]1CCCN(c2nc3cccc(F)c3s2)C1 596324905 FOKAONFDOYPDSV-SNVBAGLBSA-N 275.352 3.565 30 20 CHED Cc1cc(C)c2c(c1)CC[C@@H]2NCC(C)(C)CC#N 594516932 HSCBNXBOTBEVNI-HNNXBMFYSA-N 256.393 3.820 30 20 CHED COc1ccc(O)c(/C=N/C[C@H](C)Oc2cccc(C)c2)c1 741841620 BRALYWFFSQWPBE-BXUJETTOSA-N 299.370 3.596 30 20 CHED CC/C(C)=C\C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 847046538 ZJLBAVRQFFDDPQ-DVFVSVACSA-N 270.376 3.628 30 20 CHED CC(C)(C#N)CNC(=O)N[C@H](C1CCCCC1)C1CCC1 592008661 KFVIHJBTYNNZNA-OAHLLOKOSA-N 291.439 3.584 30 20 CHED CSc1ccc(CN2CCC[C@H](CC#N)C2)cc1 595611567 LGAPCKBLCUDSJB-CYBMUJFWSA-N 260.406 3.534 30 20 CHED CCC(CC)(CC)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593983527 FIHURYQZDVQAKD-CQSZACIVSA-N 286.419 3.822 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@@H]3C)c2C#N)[C@@H](C)C1 590999477 UFLRJKJGWOUQIJ-XWLWVQCSSA-N 288.416 3.900 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1cncs1 746576851 CHPYZNLVBFTTQY-UHFFFAOYSA-N 285.294 3.998 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)O[C@H](C#N)C(C)C 842298121 CQKNLSJLFDZBGY-ZIAGYGMSSA-N 277.389 3.649 30 20 CHED CC(C)c1nc(CN(C)Cc2ccc(C#N)cc2)cs1 46054177 DZHOOBDDBRWCSZ-UHFFFAOYSA-N 285.416 3.770 30 20 CHED COc1ccc(C(C)=NN[C@H](C)c2ccccc2)cc1F 920382643 KFXUMRMCJREOTG-GFCCVEGCSA-N 286.350 3.909 30 20 CHED CCCCCCCC(=O)OCc1noc(C(C)C)n1 920526450 AHSVWJNPKIBUCM-UHFFFAOYSA-N 268.357 3.597 30 20 CHED C#CCN(C(=O)C[C@@H]1CC[C@H](C)C1)C1CCCCC1 759172487 UURDRZQUTIJDHX-LSDHHAIUSA-N 261.409 3.607 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)CCc1ccncc1 851144081 PFSOROLSKPGNCI-HOTGVXAUSA-N 273.376 3.692 30 20 CHED Cc1cc(Br)cc(C(=O)OC(C)(C)C#N)c1C 850893853 ZLCIYJSGFDCFOK-UHFFFAOYSA-N 296.164 3.525 30 20 CHED C#CCCc1noc([C@@H]2C[C@H]2c2ccc(C)c(C)c2)n1 854031993 VMKNFWRLGVRHGL-LSDHHAIUSA-N 266.344 3.523 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)Cc1ccsc1)OCC 851143055 BKPGTFZNWSGHJJ-OCCSQVGLSA-N 282.405 3.594 30 20 CHED CC(C)c1ncc(C=NNCCCc2ccccc2)s1 758371621 YBRJLHFSYZGWNK-UHFFFAOYSA-N 287.432 3.823 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1cc(O)ccc1O 757468880 YTUXYZFGZWAIHF-CLFYSBASSA-N 298.338 3.781 30 20 CHED CCN(CC/N=C\c1ccccc1O)c1cccc(C)c1 920944304 AQIZJXCDFKLAAU-RGEXLXHISA-N 282.387 3.646 30 20 CHED Cc1cc(F)ccc1NN=C1[C@H]2CCCO[C@@H]2C1(C)C 750939154 WDDPIFPBNKLYGV-DOMZBBRYSA-N 276.355 3.737 30 20 CHED CCCCCCCCNC(=O)Nc1ccnn1C(C)C 754779403 WYTVVWSLHWOHAV-UHFFFAOYSA-N 280.416 3.946 30 20 CHED C(=NOCc1ccccc1)c1coc(-c2ccccc2)n1 755632233 OAZQQBMLMSTMDF-UHFFFAOYSA-N 278.311 3.892 30 20 CHED CC#CCCNC(=O)[C@@](C)(CC)CCCCCC 756140025 MWTAJZULSACDAC-INIZCTEOSA-N 251.414 3.903 30 20 CHED Fc1ccc(Br)c(CON=CC2CC2)c1 853734639 GCKXOXXVWRMXSP-UHFFFAOYSA-N 272.117 3.501 30 20 CHED C=C(Cl)CSCCC(=O)Nc1ccccc1OCC 853783181 HYPZUMPJCIGFQK-UHFFFAOYSA-N 299.823 3.900 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 752882597 NNANUZJBWRITOE-RMKNXTFCSA-N 285.274 3.938 30 20 CHED Cc1ccnc(CON=Cc2cccc(Cl)c2Cl)n1 755816242 ZRJMOTIYMOOTJL-UHFFFAOYSA-N 296.157 3.643 30 20 CHED Cc1cc(Cl)ncc1OCc1cn2ccccc2c1C#N 753828854 FVJDFWQDEWNKPK-UHFFFAOYSA-N 297.745 3.747 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1ccc(F)cc1OCC#N 857596888 YBYZHBKUEXLEFW-HNNXBMFYSA-N 296.317 3.585 30 20 CHED CCC(=CC(=O)N[C@](C)(C#N)C1CCCCC1)CC 759217607 DLLSEHZBVVCIJD-MRXNPFEDSA-N 262.397 3.712 30 20 CHED CCN(C[C@H](O)c1ccc(C)cc1)[C@H](C#N)c1ccccc1 851789926 GBNRRWLTJAMRPY-MOPGFXCFSA-N 294.398 3.615 30 20 CHED C#CCCCC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 759340959 GIRSALLBCOLQCP-IAGOWNOFSA-N 269.388 3.633 30 20 CHED C#CCN(CC)C(=O)Cc1cc2c(ccc3ccccc32)o1 753116661 TUQMWJUNBJIRNZ-UHFFFAOYSA-N 291.350 3.610 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cc2ccccc2o1)OCC 756470083 JQHVPVQCFPFQMA-INIZCTEOSA-N 288.343 3.847 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc2[nH]c(CC)cc(=O)c2c1 935262094 OWPNMSUJESTIRV-GFCCVEGCSA-N 298.386 3.631 30 20 CHED C#Cc1ccc(NC(=O)NC[C@@H]2CCCC(F)(F)C2)cc1 934928408 VYJHHAPCOAMSAM-CYBMUJFWSA-N 292.329 3.615 30 20 CHED CC1(CCC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 933857491 LNOMFRJLZPERQJ-IAGOWNOFSA-N 296.414 3.865 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccccc1F 767336838 WBQGPBBHMJXPPI-UHFFFAOYSA-N 253.280 3.533 30 20 CHED CCc1ccc(C(C)=NNc2cccc(C)n2)s1 863162077 RTHVWIGQICZQNO-UHFFFAOYSA-N 259.378 3.850 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)C1CCC(F)(F)CC1 936002631 ORBXRJVERDMWTN-UHFFFAOYSA-N 292.329 3.517 30 20 CHED Cc1cc(OC(=O)/C=C\c2ccccc2C#N)ccc1F 768226131 CZXVFNKFIXGJGO-TWGQIWQCSA-N 281.286 3.625 30 20 CHED CC[C@@H](CC#N)OC(=O)Cc1coc2ccc(C)cc12 860694603 JHYXFWLMAVITEM-ZDUSSCGKSA-N 271.316 3.519 30 20 CHED C=CCC[C@H](CCC)NC[C@@](C)(O)c1cc(C)oc1C 766153625 XDLVJCCIOJHFLY-DOTOQJQBSA-N 279.424 3.828 30 20 CHED N#Cc1cccc(CSCc2ccc([N+](=O)[O-])cc2)c1 58238665 JABCKMDWBAZQAZ-UHFFFAOYSA-N 284.340 3.900 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(C#N)s1 762451228 WCICYLAEIPAFJU-UHFFFAOYSA-N 277.299 3.734 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(Cl)ccc1O 769335948 WZQHUVZIINYIAG-UHFFFAOYSA-N 280.799 3.807 30 20 CHED O=C(/C=C\c1csc(Br)c1)c1ccco1 762306555 ZNOYCQFPIUJHFV-ARJAWSKDSA-N 283.146 4.000 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ncc(Cl)s1 769918460 LFVKAVOOWJAQMY-VIFPVBQESA-N 293.779 3.699 30 20 CHED C=CCN(C)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1116690070 RFWKYFFNLLHFTH-UHFFFAOYSA-N 286.202 3.915 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1CCCCC 767960154 RSXKWSIBXXGZAD-HNNXBMFYSA-N 264.413 3.544 30 20 CHED COc1ccsc1/C=C1/Cc2cc(F)ccc2C1=O 764432171 JVASGWNSZIBQAG-NTMALXAHSA-N 274.316 3.718 30 20 CHED CCCCN(C(=O)CC#Cc1ccccc1)[C@H](C)CC 1116270002 YOJVGFLPRVJNII-MRXNPFEDSA-N 271.404 3.855 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)c1 776726123 HCMJOJZVUNGBCX-VMPITWQZSA-N 265.287 3.902 30 20 CHED CC(C)CNN=Cc1c(Cl)oc2ccccc12 771565946 AVMKCZNRBGSEQS-UHFFFAOYSA-N 250.729 3.666 30 20 CHED FC(F)(F)CCON=C[C@@H]1C[C@@H]1c1ccccc1 777461534 ZJXPSDJTSGGCRA-NWDGAFQWSA-N 257.255 3.745 30 20 CHED CCN(C(=O)c1sc2ccccc2c1Cl)[C@@H](C)C#N 1118792089 JGBREHXNDHZQHX-VIFPVBQESA-N 292.791 3.929 30 20 CHED COc1cccc(C=NN[C@@H]2CCCCC2(C)C)c1OC 773123084 CXROJJCXGHTMCH-OAHLLOKOSA-N 290.407 3.596 30 20 CHED C=C(CC)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 773495195 PXGRUXBXPQVAMH-CABCVRRESA-N 296.455 3.578 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cc(C)ccc1F 776190700 AWXRGWOKDRRGTG-FNORWQNLSA-N 269.319 3.988 30 20 CHED C=CC[C@@H](C(=O)OCc1ccc(CO)cc1)c1ccccc1 778429996 ZMJFVAGQSYZUTF-GOSISDBHSA-N 296.366 3.582 30 20 CHED C#CCCCCCC(=O)N1Cc2ccccc2C(F)(F)C1 779939751 XSPMGVORPIOGIJ-UHFFFAOYSA-N 291.341 3.704 30 20 CHED C=C(CC)COC(=O)[C@@H](C)Cc1ccc(F)cc1 773501120 NBBTZCRRPPGSEV-LBPRGKRZSA-N 250.313 3.514 30 20 CHED C#Cc1cccc(NC(=O)Cc2c(C)cc(C)cc2C)c1 773210720 QPHNUCAKMQGDNN-UHFFFAOYSA-N 277.367 3.774 30 20 CHED COc1ccc(C(C)=NOC2CCCCC2)cc1F 777457124 LSDWLCOYFYDHEU-UHFFFAOYSA-N 265.328 3.908 30 20 CHED C=CCOc1cccnc1C(=O)OC[C@H]1CCC[C@@H](C)C1 775112809 OEFFLFXKLNFYTH-KGLIPLIRSA-N 289.375 3.630 30 20 CHED C=CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccncc1 776156938 MVFNCAQRJCKUEJ-KDOFPFPSSA-N 277.371 3.921 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CC(=NOC1CCOCC1)CC3 774456314 CWPAAIYZMXFHRQ-UHFFFAOYSA-N 298.386 3.517 30 20 CHED CCC(C)=NNc1ccc([N+](=O)[O-])cc1Br 777450507 UBAXDFPJUJOTQN-UHFFFAOYSA-N 286.129 3.555 30 20 CHED C=C(CC)COC(=O)[C@H](C)Cc1ccc(F)cc1 773501119 NBBTZCRRPPGSEV-GFCCVEGCSA-N 250.313 3.514 30 20 CHED C=C(Cl)COC(=O)c1cccc(OCC(F)(F)F)c1 770124120 ITPFHAOVLOMSRX-UHFFFAOYSA-N 294.656 3.537 30 20 CHED C[C@@H]1CCC[C@H](CCON=C2CCCOCC2)C1 778600691 LWUDADCMMAUHCB-ZIAGYGMSSA-N 253.386 3.776 30 20 CHED C#C[C@@H](C)NC(=O)N(CCCC)[C@H](C)c1ccccc1 773598429 UWRMIKQWWRSPBG-HUUCEWRRSA-N 272.392 3.581 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1c(F)cc(F)cc1F 1126616206 LADVYEZAXVZRJC-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=C[C@@H](CC(=O)Nc1cnn(C2CCC2)c1)c1ccccc1 889058603 RPZPPUVJWYZQFB-AWEZNQCLSA-N 295.386 3.907 30 20 CHED Fc1ccc(NN=Cc2ccc3cnccc3c2)c(F)c1 782098880 WPARZGWGDUVZIF-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C=C[C@H](CC(=O)OCc1oc(C)nc1C)c1ccccc1 1123359256 WAGXHOQCNRDKJR-CQSZACIVSA-N 285.343 3.695 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H](F)C(C)C)c1 784092907 JTKQWGXKWFSHJP-KRWDZBQOSA-N 299.345 3.788 30 20 CHED C=C(Cl)CN[C@@H]1CCCSc2ccc(OC)cc21 783251851 MINOAPYDBYGMKY-CYBMUJFWSA-N 283.824 3.964 30 20 CHED COc1ncc(C(C)=NNc2ccc(F)cc2)cc1Cl 788949935 BLIXHYMEIXFEPJ-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C=C1CN(C(=O)[C@H](CC)Cc2ccc(C(F)(F)F)cc2)C1 898700601 CMKGHAWZZSRBKQ-CYBMUJFWSA-N 297.320 3.673 30 20 CHED FC(F)(F)CCON=Cc1cnc(-c2ccco2)s1 782281148 BFOSZKJQGWXIOZ-UHFFFAOYSA-N 290.266 3.706 30 20 CHED C=C1CCC(C(=O)Nc2ncsc2C(C)C)CC1 890982087 YBFPBEUUNYNUKN-UHFFFAOYSA-N 264.394 3.951 30 20 CHED CCCCCCCC(=O)NCc1ccn(CCC)c1 788172170 UHLMALUTJKQOBB-UHFFFAOYSA-N 264.413 3.875 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cc(C)nn1C 789036620 HPWLXLGTIYGBDW-UHFFFAOYSA-N 284.407 3.862 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(C#N)cc1C 185995629 FCMOCIGYRWEYJU-UHFFFAOYSA-N 262.312 3.626 30 20 CHED Clc1ccc2c(c1)C(=NOC[C@@H]1CCOC1)CCS2 788033539 IWAJXIIZZNHUQV-SNVBAGLBSA-N 297.807 3.593 30 20 CHED Fc1cccc(Cl)c1C=NNC1CCCCC1 786042592 ZQFBAQVYMAFFRE-UHFFFAOYSA-N 254.736 3.735 30 20 CHED C=C(C)CCc1noc(CCCC(=O)c2ccccc2)n1 896285192 LKTNZUAEBKNXII-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C=C1CC(c2noc(-c3ccc(-c4nnc(C)o4)cc3)n2)C1 896884651 SVDRAKLVKDSIQT-UHFFFAOYSA-N 294.314 3.529 30 20 CHED N#C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C1CCCC1 893704328 KICFUYMKSHUUHN-CYBMUJFWSA-N 297.185 3.806 30 20 CHED C=CC[C@H](NCCCc1ccc(C)nc1)c1ccncc1 792984199 FYHQTCXJBXXMSA-SFHVURJKSA-N 281.403 3.625 30 20 CHED Cc1cc(F)ccc1-c1ccc(C=NNc2cncnc2)o1 794977088 VBAIYEWQHQXBHX-UHFFFAOYSA-N 296.305 3.630 30 20 CHED N#Cc1sc(N[C@@H]2CCc3ccccc32)nc1Cl 687250645 NYSAKDOZZLTYIG-SNVBAGLBSA-N 275.764 3.768 30 20 CHED Cc1ccc(C(=O)Nc2cccc3[nH]ccc23)cc1C#N 799325873 ODBAPJHRAQESTC-UHFFFAOYSA-N 275.311 3.600 30 20 CHED CC[C@@H](COc1cc(C#N)cc(OC)c1)CC(F)F 594895423 SSEMJOGAIVKDFA-SNVBAGLBSA-N 269.291 3.627 30 20 CHED CC[C@H](C)[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)OC 1206376514 ILPZOHSWUQIBNN-VBQJREDUSA-N 274.408 3.612 30 20 CHED Cc1cccc2c1C/C(=C/c1cn(C(C)C)nc1C)C2=O 798370185 FSLWOSFXPDFZDF-ZSOIEALJSA-N 280.371 3.903 30 20 CHED CCCCCCCCN1C[C@H](N2CCCC2)C[C@@H]1C 796431370 XKRWQRCULXIIMQ-DLBZAZTESA-N 266.473 3.906 30 20 CHED C#CCN(C(=O)c1cc(C)ccc1F)C1CCCCC1 688820729 BSDSKFZWMABBIF-UHFFFAOYSA-N 273.351 3.542 30 20 CHED C=CCCCCCN1CCC([C@H]2CCCO2)CC1 193573780 BFPPQKXCHDHLQM-MRXNPFEDSA-N 251.414 3.624 30 20 CHED CC(C)[C@H]1CCCC(=Nn2cc(Br)cn2)C1 794523965 MBLNAMUTKJQAIB-JTQLQIEISA-N 284.201 3.696 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1cc(Cl)ccc1Cl 794690647 KFJMOJHKCUCCKN-AATRIKPKSA-N 295.169 3.931 30 20 CHED C#C[C@@H](NC(=O)C1(c2cccs2)CCCCC1)C(C)C 799045585 KWZZSMZIPPLNSR-CQSZACIVSA-N 289.444 3.724 30 20 CHED C=CCC[C@H](C(=O)OC[C@@H]1CCO[C@H]1C)c1ccccc1 793442125 PEBLGHSUHXULBL-XIRDDKMYSA-N 288.387 3.705 30 20 CHED CC(C)C[C@H]1CCC[C@H](NCc2ccc(C#N)cn2)C1 793153251 PBAQDYPWWAAIPG-ZBFHGGJFSA-N 271.408 3.648 30 20 CHED C#CCCCCNC(=O)c1ccccc1NC1CCCCC1 795174677 LNBGABBEVDAJDL-UHFFFAOYSA-N 298.430 3.965 30 20 CHED C#CCNC(=O)Nc1cc(-c2ccccc2)ccc1Cl 791947693 HJWRJWOCTFGWJB-UHFFFAOYSA-N 284.746 3.762 30 20 CHED CC(C)[C@H]1CCCC(=NNC(=S)Nc2ccccn2)C1 794522726 AXSSZJAQPJFQFN-LBPRGKRZSA-N 290.436 3.570 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@]1(C)CO 760101636 RCFZUPAVEXKQOM-QGZVFWFLSA-N 283.456 3.891 30 20 CHED CC(C)(C#N)CCSc1ncccc1Br 87596286 VGHCUCOMLUXSIE-UHFFFAOYSA-N 285.210 3.876 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2cccc(F)c21 1307544552 WJASJTNZPNAHQL-UHFFFAOYSA-N 266.319 3.569 30 20 CHED N#Cc1nc(NCC[C@@H]2C[C@H]3CC[C@H]2C3)sc1Cl 1162351435 OMICFTXOALVRIV-LPEHRKFASA-N 281.812 3.906 30 20 CHED Cc1cc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)ncc1C#N 1306913823 HJZUDYOGPZWGFI-PBHICJAKSA-N 269.392 3.667 30 20 CHED COCc1ccc(NC(=O)Nc2cc(C)cc(C#N)c2)cc1 1310872285 PUUWQWCDTRWUHL-UHFFFAOYSA-N 295.342 3.657 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC[C@@H](CC)C1)c1ccccc1 1312053595 YZQSHDURNQKHOV-NVXWUHKLSA-N 286.419 3.968 30 20 CHED Cc1cc(SCc2ccncc2C)ccc1C#N 1166399389 FEWHZYYYKVSIHQ-UHFFFAOYSA-N 254.358 3.862 30 20 CHED Cc1nsc(Nc2ccn(C3CCCCC3)n2)c1C#N 1325256669 YXVHYQAFFDJGHF-UHFFFAOYSA-N 287.392 3.769 30 20 CHED C=C[C@@H](COC)N[C@@H]1CCSc2cc(C)c(C)cc21 1325905639 YQDIUHDRPOAIAI-DZGCQCFKSA-N 277.433 3.631 30 20 CHED CC(C)(C)c1ccc(NN=C2CC[C@H]2C2CCC2)nn1 1324924962 JHDLAAXQWXGBBJ-LBPRGKRZSA-N 272.396 3.752 30 20 CHED Cc1cc(C(=O)OCC2(C#N)CCC2)c2ccc(F)cc2n1 1324653324 YBHBHZZQGXHXNS-UHFFFAOYSA-N 298.317 3.533 30 20 CHED C#CCO[C@@H](C)c1nnc(-c2ccc(C(C)(C)C)cc2)o1 1327327603 ZGWCYRALBSZDOJ-LBPRGKRZSA-N 284.359 3.745 30 20 CHED CCN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1C#N 1320704552 CBDYCGCWMSPXAC-UHFFFAOYSA-N 299.305 3.632 30 20 CHED C#CCO[C@@H](C)c1nc(Cc2ccc(C(C)(C)C)cc2)no1 1324600860 FIHACLJZDUYSKS-ZDUSSCGKSA-N 298.386 3.669 30 20 CHED Cc1ccc(-c2nnc([C@@H](C)Oc3ccc(C#N)cc3)o2)o1 1322279268 WMWFTHIZWZBCCM-LLVKDONJSA-N 295.298 3.650 30 20 CHED N#Cc1cnc(Oc2ccc(F)c(Cl)c2)c(F)c1 1184571971 IOKPPGAVIOMUJQ-UHFFFAOYSA-N 266.634 3.677 30 20 CHED CCC(=NOC(C)(C)C)c1ccc(OC)c(OC)c1 1336227242 HIJYVGSXCGGGFZ-UHFFFAOYSA-N 265.353 3.633 30 20 CHED N#Cc1ccnc(/C=C/C=C\c2ccccc2[N+](=O)[O-])c1 1256728267 FMBVJNPPMBBYIY-YLSHZGKGSA-N 277.283 3.588 30 20 CHED N#Cc1cccc(N(C(=O)c2ccsc2)C2CCC2)c1 1331469327 RUBLDRRUAOZHQW-UHFFFAOYSA-N 282.368 3.819 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1cnc(Cl)cc1C#N 1337425256 WRCWECBQMMEMGF-SNVBAGLBSA-N 291.782 3.762 30 20 CHED N#Cc1cncnc1N1C[C@H](c2ccccc2)c2ccccc21 1186305032 RBWWPNCRJVLLNR-QGZVFWFLSA-N 298.349 3.632 30 20 CHED N#CC1CCN(c2c(F)cccc2C(F)(F)F)CC1 1333646765 SVMNAIQGJJSRTJ-UHFFFAOYSA-N 272.245 3.584 30 20 CHED C=CC[C@@H]1CCCC[C@H]1Nc1ccc(CCC(N)=O)cc1 1330316099 OOZFBFYBNWLIQE-NVXWUHKLSA-N 286.419 3.651 30 20 CHED C[C@@H](COc1ccccc1F)N[C@@H](C)c1ccc(C#N)cc1 1254184007 IFXYRSCPTGCSOO-KBPBESRZSA-N 298.361 3.815 30 20 CHED C=C1CCN(c2nnc(-c3cccc(Cl)c3)o2)CC1 1336516638 MIRFQMKRPYBTIV-UHFFFAOYSA-N 275.739 3.546 30 20 CHED CC(C)C[C@@H]1C[C@H]1c1nnc(COc2ccc(C#N)cc2)o1 1261572588 ROTAALNJINAXJY-UKRRQHHQSA-N 297.358 3.670 30 20 CHED N#Cc1cccc(-c2nnc(/C=C\c3cccs3)o2)c1 1331731568 WLDOSGLEECCUHJ-SREVYHEPSA-N 279.324 3.840 30 20 CHED Cc1ccc([C@H]2CCCCN2Cc2cc(C#N)ccn2)cc1 1191194831 UTMIQEZEZYOHJD-LJQANCHMSA-N 291.398 3.989 30 20 CHED N#CC[C@H](C(=O)N[C@H]1C[C@H]1C1CCCCC1)c1ccccc1 1265556803 JMMFCZDAXUEVCD-BZSNNMDCSA-N 296.414 3.769 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H](CC(F)(F)F)C1 1347183174 OEOBVBFPTZCWAJ-GFCCVEGCSA-N 277.330 3.780 30 20 CHED C=C(CC)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 1346376593 UKQLPKQOCFGJJC-UHFFFAOYSA-N 259.349 3.820 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CCC[C@@H](C)C1 1350357772 KLUFPNHVLADJTD-BXUZGUMPSA-N 257.333 3.602 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CC(C)(C)c1ccc(F)cc1 1355087414 BRAZMALSTLDDEC-HNNXBMFYSA-N 290.382 3.644 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccccc1OC(C)C 1356507549 RNXIKTXXZRHOQM-UHFFFAOYSA-N 294.354 3.906 30 20 CHED N#Cc1ccccc1CN1CCC[C@H]2CCCC[C@H]21 217655736 UYSNYJJDDTUHGI-RHSMWYFYSA-N 254.377 3.713 30 20 CHED CC(C)(C)CN(CCC#N)C[C@@H](O)c1ccc(Cl)cc1 111250619 ILEFSQZEIICQBJ-OAHLLOKOSA-N 294.826 3.635 30 20 CHED CCC[C@@H](CC)C(=O)Nc1ccnn1-c1ccc(C#N)cc1 1521811692 DTAZWJPWNDHZHM-CQSZACIVSA-N 296.374 3.509 30 20 CHED Cc1cc(C#N)ccc1Oc1ncnc2scc(C)c12 1458146423 LSHPYRZZSWPIBF-UHFFFAOYSA-N 281.340 3.972 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Oc1cc(F)ccc1F 112750491 RRGGIKPOBYFFSY-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C=C[C@@H](CC(=O)O[C@@H](C)CCCOC)c1ccccc1 1520005061 KHHUBOCASQBCQV-GJZGRUSLSA-N 276.376 3.705 30 20 CHED Cc1oc2ccccc2c1CNC(=O)c1ccsc1C#N 1528147612 ZMVHTUGHEOTVFN-UHFFFAOYSA-N 296.351 3.604 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2cccc(C#N)c2)C1 1460731932 VVGABAXQLRCHKP-CQSZACIVSA-N 257.333 3.684 30 20 CHED COc1ccc(Cl)cc1COc1cccc(F)c1C#N 115352639 LXXSJFZLPDNFPV-UHFFFAOYSA-N 291.709 3.938 30 20 CHED COc1cc(C#N)ccc1CN1C[C@@H](C)Cc2ccccc21 1615458228 UBYBAVTWFPRRQN-AWEZNQCLSA-N 292.382 3.766 30 20 CHED C#CCCOC(=O)N(CC=C)Cc1ccc(Cl)s1 858881446 BLTRHGRCCZVJDP-UHFFFAOYSA-N 283.780 3.549 30 20 CHED CC[C@]1(C)CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1629922458 SGUMACAXMDJCJR-FUHWJXTLSA-N 284.403 3.723 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)c1ncc(C#N)cc1F 1639311836 CNAXYTGZHDACHL-SNVBAGLBSA-N 289.741 3.943 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)NCC1(C#N)CCC1 1564927243 PLXBGXRIUMKEFU-CABCVRRESA-N 291.439 3.586 30 20 CHED N#Cc1ccc(F)cc1CSCc1ccncc1 1641455264 SQKKKJBHHHTFDY-UHFFFAOYSA-N 258.321 3.526 30 20 CHED CC1CC(COc2ccc(Br)c(C#N)c2)C1 1644280099 XTKGYMLNXFNESU-UHFFFAOYSA-N 280.165 3.746 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)n1 1642442206 YACWNCUMPUVQHZ-GVARAGBVSA-N 281.403 3.707 30 20 CHED N#Cc1cc(=N[C@H]2CCCC[C@H]2Cc2ccccc2)cc[nH]1 1642220908 DXHWRQUZBVBXLY-LPHOPBHVSA-N 291.398 3.589 30 20 CHED CN(Cc1c(F)cccc1F)[C@@H](C#N)c1ccccc1 1654530233 PAPAOFOXIROMEF-INIZCTEOSA-N 272.298 3.661 30 20 CHED C=C(CCC(=O)O)C(=O)N(CCCC)[C@H]1CCC[C@H](C)C1 1588612847 YLOOFOOHJAEMOQ-ZFWWWQNUSA-N 295.423 3.615 30 20 CHED Cc1cc(C#N)cc(NCc2ccc3c(c2)CCCO3)c1 1658122350 BOSSYWUSCFXAOW-UHFFFAOYSA-N 278.355 3.804 30 20 CHED C=C(Cl)CNCc1ccc(Oc2ccc(F)cc2)nc1 1661540585 XIRXHSYNURXVMB-UHFFFAOYSA-N 292.741 3.855 30 20 CHED C=C(Br)CN[C@H](CC)c1ccc(F)cc1 125132055 KJIRSDNHYNLUKH-GFCCVEGCSA-N 272.161 3.775 30 20 CHED C=CCN(C)C(=O)NC1CCC(c2ccccc2)CC1 161809488 KOVMOIIPKYDYBF-UHFFFAOYSA-N 272.392 3.540 30 20 CHED CC(C)[C@@H](C)N(C)Cc1ccc(C#N)cc1Cl 162868724 OBQLTYCDRIKZFK-LLVKDONJSA-N 250.773 3.688 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]2CCCC[C@H]21 152706971 PTUFLWVOXHABAD-GDBMZVCRSA-N 261.409 3.936 30 20 CHED C=CCC[C@@H](NC(=O)Nc1ccncc1)c1ccccc1 153294261 NVHHWFUWWPFKCO-MRXNPFEDSA-N 281.359 3.911 30 20 CHED C=CCC[C@H](CCC)NC[C@H](c1ccco1)N(C)C 154146680 DFMNGQGOLSFPOZ-LSDHHAIUSA-N 264.413 3.607 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)C1CCCC1 157485189 KURNGGWBWPWIAS-UHFFFAOYSA-N 284.403 3.733 30 20 CHED Cc1cscc1NC(=O)c1ccc(C#N)c(Cl)c1 159308310 GNNVKFMZILLIPY-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C#CCCCCNC(=O)N[C@@H](CC)c1ccc(C)cc1 159196450 TXILNLZWBXWWID-INIZCTEOSA-N 272.392 3.549 30 20 CHED Cc1csc(C(=O)N(C)c2ccccc2C#N)c1Cl 234267120 GRBXPOZBICAIDR-UHFFFAOYSA-N 290.775 3.858 30 20 CHED C[C@H]1CC(C)(C)CN1c1c(Br)cccc1C#N 1186720622 JFAKPLHOBVVATF-JTQLQIEISA-N 293.208 3.946 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2ccc(C#N)cc2)CCO1 270816956 XRJQTHBCRHBBDX-CABCVRRESA-N 258.365 3.564 30 20 CHED N#CCOc1cccc(CNCc2ccc(Cl)s2)c1 70988980 AZYNUHURZISSAQ-UHFFFAOYSA-N 292.791 3.594 30 20 CHED COc1cccc(Cl)c1CNc1cc(C)nc(C#N)c1 308279123 PFYHQZIABBUFQT-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C=C[C@H](C)N[C@@H]1CCc2ccc(Br)cc21 308830710 TUZYKMLHZLXCTH-TVQRCGJNSA-N 266.182 3.601 30 20 CHED C[C@@H](Nc1cccc(CC#N)c1)c1cccc(C#N)c1 313413438 VROZMLQIRKWHKR-CYBMUJFWSA-N 261.328 3.797 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 313463105 OIXILBOOAUIOFX-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CCc1ccccc1NCc1ccc(OC)c(C#N)c1 87822423 WTDJSAOWXQSNLJ-UHFFFAOYSA-N 266.344 3.741 30 20 CHED CC(C)[C@H](C#N)NC(=O)C1CC(C)(C)CC(C)(C)C1 597189064 QGPMIDRKVAWKNG-ZDUSSCGKSA-N 264.413 3.503 30 20 CHED C=CCCCC(=O)N[C@H]1CCSc2c(F)cccc21 175141437 RUKNNJJMOGHJSX-ZDUSSCGKSA-N 279.380 3.835 30 20 CHED C=C(C)CN(CC)C(=O)C12CC3CC(CC(C3)C1)C2 57157899 ZIXGUAROCSGDHU-UHFFFAOYSA-N 261.409 3.627 30 20 CHED N#Cc1ccc(CNCc2ccccc2OC2CCCC2)o1 174280540 UHPSHLVPVRAVRC-UHFFFAOYSA-N 296.370 3.762 30 20 CHED COc1ccccc1/C=C1\Cc2ccc(F)cc2C1=O 176411165 ATPUAKUXZNNLMU-UKTHLTGXSA-N 268.287 3.657 30 20 CHED C=CCCC(=O)Nc1cc(Cl)ccc1SC 102242224 OENNQQMUGADXNH-UHFFFAOYSA-N 255.770 3.967 30 20 CHED CC(C)n1cnnc1S[C@H](C)c1ccc(C#N)cc1 118170917 JMFOEPWOQTUJHP-LLVKDONJSA-N 272.377 3.584 30 20 CHED C[C@@H](NCc1ccc2ncccc2c1)c1cccc(C#N)c1 174431823 DEDCYYAEPINLSR-CQSZACIVSA-N 287.366 3.957 30 20 CHED C=CCN(CCCCCO)Cc1ccc(Cl)s1 60372783 NAMVFFLJXJYTAJ-UHFFFAOYSA-N 273.829 3.552 30 20 CHED N#Cc1ccc(CCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 54277200 SHUYAGZYIJXTOU-MSOLQXFVSA-N 296.414 3.672 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)c2cccnc2)cc1 171440375 AZOCXRPZXMKKLU-HXUWFJFHSA-N 299.377 3.832 30 20 CHED N#CCCCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 171416803 CPEZWRIOOZXFSU-UHFFFAOYSA-N 299.330 3.638 30 20 CHED CSc1ccccc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 179105705 VBUPRDLPLRADNA-MLGOLLRUSA-N 288.416 3.611 30 20 CHED N#Cc1ccnc(S[C@H](C#N)C2CCCCC2)c1 115187334 VVFCRFGDQIJCRE-CYBMUJFWSA-N 257.362 3.518 30 20 CHED C[C@@H](OC(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1 175752550 WTUMBKNVGXMQFB-SNVBAGLBSA-N 287.265 3.754 30 20 CHED COc1ccccc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 20096735 YDGIVMQZINCBDV-KBPBESRZSA-N 280.371 3.979 30 20 CHED N#Cc1cccc(Cl)c1NCCOCc1ccccc1 301478911 QNTCCDIKMJDITJ-UHFFFAOYSA-N 286.762 3.840 30 20 CHED C=CCN(C(=O)c1cccc(F)c1)c1ccccc1 60525692 VYIXOKLJBDPBFH-UHFFFAOYSA-N 255.292 3.659 30 20 CHED C=CC1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 348196214 YZQXHCMBCOWJSP-UHFFFAOYSA-N 292.810 3.567 30 20 CHED CCc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)s1 116799990 BYQLTNTYFFJTMA-ABAIWWIYSA-N 276.405 3.513 30 20 CHED CCN(Cc1c(O)ccc2ccccc12)C[C@H](C)C#N 171065516 SXDSOWQSHTTYQB-CYBMUJFWSA-N 268.360 3.527 30 20 CHED Cc1[nH]c2ccccc2c1CCNCc1ccc(C#N)s1 176960935 SVNFCFBBXSRQEM-UHFFFAOYSA-N 295.411 3.742 30 20 CHED N#CCCCOc1cccc(CN[C@H]2CC=CCC2)c1 172475407 REIUQTRMWOUXJZ-INIZCTEOSA-N 270.376 3.567 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1Nc1cccc(F)c1C#N 302416471 IWRNUOIWUJIKTP-JKSUJKDBSA-N 276.355 3.703 30 20 CHED C#Cc1cccc(N(C(=O)CCC2CCOCC2)C(C)C)c1 173425094 QTRVTFGTXGZLOB-UHFFFAOYSA-N 299.414 3.616 30 20 CHED C=C(C)CNCc1csc(COc2ccc(C)cc2)n1 119657749 LAMIIXGRKXAKHY-UHFFFAOYSA-N 288.416 3.696 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C#N)ccc1OCC 177009222 GABVWMXFGQRBOA-UHFFFAOYSA-N 284.359 3.664 30 20 CHED C=CCN(CCOC(C)(C)C)CCc1ccccc1 65959242 KDWJORDKQGBJOJ-UHFFFAOYSA-N 261.409 3.532 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1 1350518969 FPUCNSQHOHZJLS-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=CCCC(=O)N1CCC[C@@H](c2ccccc2)CC1 66762610 YBTMZXRJCOAGOU-MRXNPFEDSA-N 257.377 3.749 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OC)c2ncccc12 123303858 RWFCYSQTHGJTMC-UHFFFAOYSA-N 299.374 3.673 30 20 CHED Cc1cc([C@@H](C)Nc2ccc(OCC#N)cc2)c(C)o1 34956884 CVZQVPGJGJYEPT-GFCCVEGCSA-N 270.332 3.972 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CSc2ccccc21 182642286 RTPCZVUDYUJHIT-JSGCOSHPSA-N 275.417 3.737 30 20 CHED N#CCCOc1ccc2ccccc2c1Br 37975822 BMNQGADZZRHPMH-UHFFFAOYSA-N 276.133 3.895 30 20 CHED CCCO[C@@H]1CCCN(c2cc(Cl)ccc2C#N)CC1 122993037 WBLOVBALDOFDIB-OAHLLOKOSA-N 292.810 3.997 30 20 CHED C=CCCCOC(=O)c1sc(C)cc1OC(F)F 303648903 AOPAVWVEBIOZOE-UHFFFAOYSA-N 276.304 3.781 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc3ncccc23)C1 185888530 GALXGAALMMLPMR-OLZOCXBDSA-N 251.333 3.729 30 20 CHED Cc1ccccc1CNC(=O)Nc1ccc(C#N)c(Cl)c1 71901288 ZJTVXXVDOHATHK-UHFFFAOYSA-N 299.761 3.842 30 20 CHED N#Cc1ccc(Cl)cc1NCc1ccc2c(c1)COC2 432032858 QICDHDQRXRPKON-UHFFFAOYSA-N 284.746 3.854 30 20 CHED Cc1nc(C)c(C#N)c(SCc2cc(F)ccc2C)n1 188176864 YRIDZMOBEUPCJT-UHFFFAOYSA-N 287.363 3.705 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2cccc(Cl)c2)cc1 33473701 JCVUPKUJXLTFPS-TWGQIWQCSA-N 286.714 3.934 30 20 CHED C=CCCO[C@H](C)C(=O)N(C1CCC(C)CC1)C1CC1 125238797 JAYMNEZMLHFKCQ-SHARSMKWSA-N 279.424 3.537 30 20 CHED CCCn1c(C(=O)N(CC)C[C@@H](C)C#N)cc2ccccc21 189811071 DZUYKRVHGSXCFT-AWEZNQCLSA-N 297.402 3.673 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(O)cc1)c1ccccc1 186495752 FDMBLUDXMYOWJY-INIZCTEOSA-N 267.328 3.691 30 20 CHED CC[C@@H](CC#N)NC(=O)c1oc2c(Cl)cccc2c1C 183951415 XOCFBNPMCFXUOS-JTQLQIEISA-N 290.750 3.817 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1cncs1)C2=O 184764260 DQQWIRQVQWCOCS-KPKJPENVSA-N 269.369 3.972 30 20 CHED CCN(CC)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 185754567 ODIYMQIWIVEITD-QXAKKESOSA-N 299.462 3.741 30 20 CHED CC(C)c1ccc(C(=O)NCC2(C#N)CCC2)cc1Cl 416348677 VCMDDDDQFYSEON-UHFFFAOYSA-N 290.794 3.887 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)C[C@@H](CC#N)c1ccccc1 411084743 JOAHHIZPPZWYAL-GOEBONIOSA-N 284.403 3.863 30 20 CHED N#CC1(CN(CCc2ccccc2F)C2CCCC2)CC1 501548753 LYDJVQQPYLHFDR-UHFFFAOYSA-N 286.394 3.917 30 20 CHED CCCCCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C 123438170 DWUPIRZGYVBWCM-CYBMUJFWSA-N 283.375 3.720 30 20 CHED C=CCCCC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 186251212 MOVGYLHOLVVCED-HNNXBMFYSA-N 293.794 3.596 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 414135486 CKCYVCYLOHPFSW-SVGFKBNWSA-N 291.822 3.909 30 20 CHED N#Cc1ncn(Cc2sc3ccccc3c2Cl)c1C#N 180423155 RPULYWKMBQCWNH-UHFFFAOYSA-N 298.758 3.543 30 20 CHED CCc1nc(NCC(C)(C)CC#N)c2ccsc2n1 413413341 UDTVCKLWHMKBNF-UHFFFAOYSA-N 274.393 3.605 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC(C)(C)C2)c1 509749207 XZFUKQITAODDOF-CQSZACIVSA-N 288.391 3.952 30 20 CHED C=C(Cl)CN[C@H](C)c1sc(C(C)C)nc1C 129782233 KGMRLDPBPFMVAZ-SECBINFHSA-N 258.818 3.978 30 20 CHED C=C(C)CN(C)C(=O)CCc1ccc2ccccc2c1 180383932 CZSOZTSYPZGGGP-UHFFFAOYSA-N 267.372 3.807 30 20 CHED COc1cc(/C=C/C(=O)c2ccncc2)ccc1SC 182247406 ZFQPPFJXMGOTDW-HWKANZROSA-N 285.368 3.708 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N(C)CCCC 508487424 FPSONPNSCQXPEV-UHFFFAOYSA-N 284.407 3.676 30 20 CHED N#CCSCCCN[C@@H](c1ccccc1)C1CCC1 72515953 BLGINLZFNRTHGZ-INIZCTEOSA-N 274.433 3.764 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSc1cccc(OC)c1 182643534 WBTCQZIYDBOQDQ-CYBMUJFWSA-N 293.432 3.648 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)Cc1cc2ccccc2s1 410832597 DJQKQZCYLXCHFF-ZDUSSCGKSA-N 286.400 3.594 30 20 CHED N#CCSCCCN[C@H]1CCC[C@H]1c1ccccc1 133466023 UZNJNCBAUBJDML-HOTGVXAUSA-N 274.433 3.559 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1C 219894096 IEMMUAHFIYUHGC-ZFWWWQNUSA-N 273.376 3.560 30 20 CHED N#Cc1ccc(F)cc1CSc1cccc(O)c1 130972119 MHFHQDDBDYEMAS-UHFFFAOYSA-N 259.305 3.695 30 20 CHED C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC[C@H]1C 186993172 GLLAIOILOFRVMT-JKIFEVAISA-N 299.418 3.524 30 20 CHED CCn1c(-c2ccc(OCC#N)cc2)nc2ccccc21 48879788 APOMQNWRJUARHP-UHFFFAOYSA-N 277.327 3.626 30 20 CHED CC(C)(C#N)CCCN1C[C@H]2CCC(=O)c3cccc1c32 184783103 PLWWLJAHFVQOOD-CYBMUJFWSA-N 282.387 3.897 30 20 CHED C=C[C@H](CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 135022233 PNIAYRQOFCCCBT-GPMSIDNRSA-N 296.414 3.935 30 20 CHED CC(C)(C#N)CCCOc1cccc(-n2cccn2)c1 135505741 RSJCWJNRPMBHIZ-UHFFFAOYSA-N 269.348 3.581 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(C(F)(F)F)cc1 189962924 JLAMSSOSDPUQMN-AWEZNQCLSA-N 285.309 3.924 30 20 CHED C=CCC1(C(=O)N2CCCc3c(OC)cccc32)CCC1 410981849 VNDHZWWGCMBQPE-UHFFFAOYSA-N 285.387 3.721 30 20 CHED Cc1c(/C(O)=N/C(C)(C)CC2CCCCCC2)nnn1C 329971416 VOQKVKBWCNOHDZ-UHFFFAOYSA-N 292.427 3.567 30 20 CHED CC1CC(/N=C(/O)c2coc(C3CCCCC3)n2)C1 328714265 CHSQBTXJUQWCKG-UHFFFAOYSA-N 262.353 3.825 30 20 CHED CCc1ccc(-c2noc(-c3cccc(C#N)c3)n2)cc1 226659345 VOIAUHAQVUVELX-UHFFFAOYSA-N 275.311 3.838 30 20 CHED Cc1noc(C)c1C/C(O)=N/[C@H]1CSc2ccccc21 329567607 PGKQLEDXHHLJNN-ZDUSSCGKSA-N 288.372 3.637 30 20 CHED N#Cc1cccc(CNc2ccc(OC(F)F)cc2)c1F 223730238 PJUNCJRIRBMVRO-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=CCN(CC=C)[C@H](CNc1ccc(C#N)cc1)C(C)C 507197847 XETYUZFIIHQDDJ-GOSISDBHSA-N 283.419 3.669 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C(F)(F)F)c(F)c1 190570080 ACUJCHLFLLBHNU-UHFFFAOYSA-N 287.256 3.659 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 527737349 UPBVUVPTQNNPLN-QLFBSQMISA-N 276.424 3.791 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCCN(c2ccccc2F)C1 134453197 CWSFBRXLNSANJE-SLDJAQPHSA-N 298.361 3.619 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(C(F)(F)F)c1 429935286 BHZRSWMSEMGTSC-UHFFFAOYSA-N 285.309 3.924 30 20 CHED C[C@@H]1CC(=O)CC[C@H]1C(O)=Nc1ccc2ccccc2n1 328944165 UQIMJIHIYHGQPD-BXUZGUMPSA-N 282.343 3.828 30 20 CHED CC[C@H]1CCC[C@@H](Nc2c(C#N)nnc3ccccc23)C1 85920694 NZABTPFUVPHQMR-QWHCGFSZSA-N 280.375 3.882 30 20 CHED C=CCCCCNCc1ccc([N+](=O)[O-])cc1Cl 381131774 KXDVCYYSRINIOU-UHFFFAOYSA-N 268.744 3.694 30 20 CHED CC(C)(C#N)CCCOc1cccc2cccnc12 87608967 BRAJROUTQBGEPM-UHFFFAOYSA-N 254.333 3.944 30 20 CHED Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1F 133295332 DXTCFEMFQQGAJV-UHFFFAOYSA-N 290.244 3.536 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 44819207 DDWDPHOMVYHYEB-CHWSQXEVSA-N 296.292 3.865 30 20 CHED CCCc1[nH]ccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425107261 JDBHPWFDYAKCCJ-ZDUSSCGKSA-N 295.386 3.672 30 20 CHED CC(C)(CCNC(=O)N1CCC(CCC#N)CC1)C1CC1 517735155 CGFQHUHWNQSVQH-UHFFFAOYSA-N 291.439 3.538 30 20 CHED CCC(CC)C(=O)N[C@@H](CCC#N)c1ccccc1 193144607 VOXOAPNJNCKJSE-HNNXBMFYSA-N 258.365 3.584 30 20 CHED C=C(CNC(=O)N(CC)CC1CCC1)c1ccccc1 512681203 LIMYJMAJAAYPRI-UHFFFAOYSA-N 272.392 3.531 30 20 CHED N#Cc1ccc(SC[C@H]2CCCO2)cc1Br 228254534 LDWTXIZZEAGBTQ-SNVBAGLBSA-N 298.205 3.592 30 20 CHED N#CC1(CSc2nc3cc(Cl)ccc3o2)CC1 334300818 VRDSVBQNXICZAY-UHFFFAOYSA-N 264.737 3.877 30 20 CHED C=CC[C@@H](CC)NC(=O)c1oc2ccc(F)cc2c1C 337083163 BFHCWQJMSFXNEB-GFCCVEGCSA-N 275.323 3.965 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)c1ccc2n[nH]cc2c1 513367632 QXKSJDAWOPMQMG-CYBMUJFWSA-N 284.407 3.934 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 192692573 BTAGBLOAXWYSRG-JYRVWZFOSA-N 289.425 3.772 30 20 CHED N#CCCC1CCN(C(=O)c2ccc3ccccc3c2)CC1 335385189 ROHGSOMROROFRS-UHFFFAOYSA-N 292.382 3.996 30 20 CHED N#CC1(N(C(=O)c2ccc(F)c(Cl)c2)C2CC2)CCC1 336510748 CXDNMZQRQGSEPM-UHFFFAOYSA-N 292.741 3.530 30 20 CHED C#CCCCC(=O)Oc1c(OCC)ccc2ccccc12 190682764 FWSSOLZHURWISB-UHFFFAOYSA-N 282.339 3.947 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC1CC1)c1ccccc1)OCC 339441590 XTWHXZCKIGXEPZ-QGZVFWFLSA-N 287.403 3.801 30 20 CHED C=CC[C@@H](CC)NC/C=C/c1ccc(F)c(F)c1 512344563 YKHGAQZINLZQCT-VUDGCMKMSA-N 251.320 3.922 30 20 CHED C[C@H](N[C@H](C)c1ccc(F)cn1)c1cccc(C#N)c1 92765989 MPIDQOQCGNIAJS-NWDGAFQWSA-N 269.323 3.504 30 20 CHED CC(C)(C#N)CNC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 512888529 KBULIAOWKJVIES-AWEZNQCLSA-N 299.418 3.896 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1CC1CCCCC1 331443621 NTNSVIFKMNBAOY-MRXNPFEDSA-N 299.418 3.770 30 20 CHED CCOc1ccc(OC)cc1N=C(O)NC1(C)CCCC1 330642449 RGJONZHWIUWKTK-UHFFFAOYSA-N 292.379 3.562 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)Sc1ccccc1 432332862 CLCIKVBZHCTXAF-CYBMUJFWSA-N 296.395 3.986 30 20 CHED N#CCCCCNCc1csc(-c2ccsc2)n1 237818513 UBDQVUPIOAVJKY-UHFFFAOYSA-N 277.418 3.655 30 20 CHED CCSc1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1 337711987 CMHSHEXPBDIZDN-UHFFFAOYSA-N 296.395 3.851 30 20 CHED C[C@@H](CCc1ccccc1)CNCC1(CC#N)CC1 430060897 PBKMBTIYYCPLRW-HNNXBMFYSA-N 256.393 3.539 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1nc(C2CC2)ns1 92686057 BHLXRAAUABKMHO-UHFFFAOYSA-N 298.415 3.704 30 20 CHED CC(=O)c1sccc1OCc1cccc(C#N)c1F 432491196 BMBGRLJXSYXDDV-UHFFFAOYSA-N 275.304 3.540 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H](c2ccccc2)C1 433061773 LZCFTGQURFNNSX-MRXNPFEDSA-N 256.393 3.806 30 20 CHED N#Cc1ccc(/C=C\c2cscc2Br)nc1 349116206 YURYCQXRVJARKZ-RQOWECAXSA-N 291.173 3.948 30 20 CHED CC(C)(CC(=O)Nc1ccccc1CC#N)C(F)(F)F 344326208 CFEMYTFKGGFAMB-UHFFFAOYSA-N 284.281 3.670 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC[C@@H](C#N)CCC#N 249093591 TTXJMFFZCNYEJV-PMPSAXMXSA-N 261.413 3.624 30 20 CHED C/C(Cl)=C\CN1CCC(Oc2cccc(C#N)c2)CC1 528371492 IQYDODPKBCTKGQ-WLRTZDKTSA-N 290.794 3.544 30 20 CHED Cc1cnccc1CSc1nc2c(c(C)c1C#N)CCC2 600513901 WXLODNCMINUGKF-UHFFFAOYSA-N 295.411 3.746 30 20 CHED CC(C)[C@H](NC(=O)[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 439658100 KNUJGNPTSWWIOS-GWCFXTLKSA-N 298.308 3.678 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1cccc(C#N)c1 603517932 QOGREXYUTZZIKN-UHFFFAOYSA-N 278.355 3.529 30 20 CHED COc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccco2)cc1 349403082 FQDZGIOCJWFADE-JOQOYGCGSA-N 296.370 3.659 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@@H]2c2ccc(Cl)cc2)n1 343047454 XISDPHIXVUVFEL-CABCVRRESA-N 283.762 3.883 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(F)c(C#N)c1 609102679 OQWQGWSXRONYCV-RYUDHWBXSA-N 274.339 3.852 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 522977111 WWAAHDQVAIAIKY-XHDPSFHLSA-N 290.794 3.847 30 20 CHED C[C@H](CCC#N)CNCC1(c2ccc(Cl)cc2)CC1 602528148 BNHWJSQOYUTDNN-CYBMUJFWSA-N 276.811 3.901 30 20 CHED CN(Cc1ccc(F)cc1F)c1ccc(F)cc1C#N 609495229 XJMMQEYTWKWGMP-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C=CCN(CCC)[C@H]1C[C@@H](OCC)C12CCCC2 524893368 PDJFYKLEXVNYNZ-LSDHHAIUSA-N 251.414 3.622 30 20 CHED CCOc1cccc(C=Nc2ccc(F)cc2)c1O 254741407 QECVLUROCYZRCW-UHFFFAOYSA-N 259.280 3.681 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(F)c(C#N)c1 341519048 AROBNVUMFNXCOK-WBMJQRKESA-N 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C=CCC(CC=C)C(=O)OC[C@@]1(C)C[C@@]1(F)Cl 821880312 RACUJTXCNGRWBT-OLZOCXBDSA-N 260.736 3.613 30 20 CHED C=CCC1(NCC(=O)Nc2c(C)cccc2C)CCCC1 661864159 NCHWOHNBUDDQIK-UHFFFAOYSA-N 286.419 3.720 30 20 CHED C=CCCSCCNC(=O)c1ccsc1C(F)F 824916096 BLACTPMDGUJTEG-UHFFFAOYSA-N 291.388 3.725 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1nccnc1C#N 726593372 PLFKOGXTLPVZCJ-OLZOCXBDSA-N 272.396 3.613 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C)c2)C1 665983645 GNJJKQQQZZUIBK-ZDUSSCGKSA-N 276.355 3.954 30 20 CHED C/C=C/c1ccc(NC(=O)C2(C#N)CC(C)C2)cc1 588780267 HKVGIMAOGHWJJC-ONEGZZNKSA-N 254.333 3.598 30 20 CHED CCCC[C@@H]1CCCC1=NNc1cncc(Cl)n1 727256690 ZMZUWJDQAGTMFE-SNVBAGLBSA-N 266.776 3.888 30 20 CHED C=CCC1(N[C@@H](C)CCCC(C)C)CCOCC1 668551373 LFDNTFBUPZDLKH-HNNXBMFYSA-N 253.430 3.916 30 20 CHED C#C[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1ccc(Cl)cc1F 491229438 GYPFOVUZRAZRTQ-OZVIIMIRSA-N 295.785 3.558 30 20 CHED CC#CCCNC(=O)CCCOc1cccc2ccccc12 498580666 NNIWYNVMLASVHM-UHFFFAOYSA-N 295.382 3.528 30 20 CHED C=CCCNC(=O)Nc1cccc(SC(F)F)c1 820822953 RSQQHUZPCXJKAR-UHFFFAOYSA-N 272.320 3.699 30 20 CHED C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@H]2CCCC[C@H]21 733610170 OOZUXKMTMAZJMJ-MNEFBYGVSA-N 298.430 3.990 30 20 CHED COc1ccc(N(C)C(=O)CCCCCC#N)cc1Cl 588756009 BVQBNKWTXDHHNC-UHFFFAOYSA-N 294.782 3.785 30 20 CHED C=CCCCCN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 496834134 BBCZWOBAEPGOJB-GJZGRUSLSA-N 296.455 3.578 30 20 CHED Cc1nn(C(C)C)c(C)c1CNc1ccc(F)c(C#N)c1 902078636 PQWKBGZRNYNWGD-UHFFFAOYSA-N 286.354 3.704 30 20 CHED CC(C)[C@H]1CN(C(=O)CCCCCC#N)c2ccccc2N1 588622409 QHNKGHYODFDTAT-MRXNPFEDSA-N 299.418 3.944 30 20 CHED CCC[C@@H](NC(=O)C#CC(C)(C)C)c1ccccc1 837324908 CSTGGVXLGRAUGK-OAHLLOKOSA-N 257.377 3.694 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C\c1ccsc1 492089004 NVEBNYAYPJMAON-WAYWQWQTSA-N 276.405 3.740 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2cccs2)nc1C 736246718 IHJJUOYAEQDBTE-UHFFFAOYSA-N 292.791 3.601 30 20 CHED CCn1ccnc1C(C)=NNc1c(C)cc(C)cc1C 834960095 DRXHIVYTOOLIND-UHFFFAOYSA-N 270.380 3.664 30 20 CHED CC#CCN(C)C(=O)C1(c2cccc(Cl)c2)CCCC1 584253746 MXKOZGIWOFQYEB-UHFFFAOYSA-N 289.806 3.634 30 20 CHED C=C(Cl)COc1cccc(N=S2(=O)CCCC2)c1 902480806 GZQWOSOVJNZEAO-UHFFFAOYSA-N 285.796 3.711 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc3ncsc3c2)C1 839445837 VBMZCRRDEXVYOS-CMPLNLGQSA-N 286.356 3.535 30 20 CHED CCc1nocc1/C=C/C(=O)c1ccc(N(C)CC)cc1 834430511 QADXHQLHMXYVAD-DHZHZOJOSA-N 284.359 3.589 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1oc2ccc(OC)cc2c1C 675933599 IEGIIOYIZBNPTI-PWSUYJOCSA-N 259.349 3.975 30 20 CHED CC[C@@H](NCCC(C)(F)F)c1cccc(C#N)c1 902999422 BYXFGGMSHMFQHF-CYBMUJFWSA-N 252.308 3.644 30 20 CHED C#CCN(C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C)C1CCCCC1 733651135 HMHMBIIFJICCTQ-YQQAZPJKSA-N 290.451 3.789 30 20 CHED C=CCC[C@H](NC(=O)C#CC(C)(C)C)c1ccccc1 837486112 VWZRLJKYKIQECP-INIZCTEOSA-N 269.388 3.860 30 20 CHED N#Cc1ccc(COC(=O)CC2=CCCCC2)c(F)c1 730337925 VUQACKBYHJCYBW-UHFFFAOYSA-N 273.307 3.631 30 20 CHED N#CC[C@H](CC(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 839058890 MJZNKYDMWAMPDM-DJIMGWMZSA-N 296.370 3.700 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H]1CCCc2c(F)cc(F)cc21 835507258 BWJBYBHFIJSSIM-HOCLYGCPSA-N 293.313 3.825 30 20 CHED C[C@@H](C#N)CNN=C1CCC[C@H]1Cc1ccc(Cl)cc1 834965359 NRPMSILJUVFOIS-JSGCOSHPSA-N 289.810 3.788 30 20 CHED CCCCCCCOC(=O)c1cccc(CC#N)c1 918494137 OBVFLTDQXJCTKP-UHFFFAOYSA-N 259.349 3.880 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@]1(C)CC1(Cl)Cl 836905379 OJWFJFYVTCHHGN-GFCCVEGCSA-N 278.223 3.679 30 20 CHED CCCCCCCC(=O)OCC(=O)NC1CCCCCC1 919222161 LHDKCPIPDOVXDH-UHFFFAOYSA-N 297.439 3.729 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1F 830498553 OLEYWQFXAAUUBU-CQSZACIVSA-N 288.366 3.882 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCCC(F)(F)CC1 599552264 ZIWMHKACQFNNDT-LBPRGKRZSA-N 264.319 3.740 30 20 CHED CSc1ccccc1[C@@H](C)NC(=O)C#CC(C)(C)C 837602793 QPVRPCGYHKEODU-GFCCVEGCSA-N 275.417 3.635 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 593544718 JTOUFTMYEBLAQJ-MSOLQXFVSA-N 298.430 3.798 30 20 CHED C[C@H](c1ccco1)N(CCc1ccc(C#N)cc1)C1CC1 595380107 KANMRBGPFBPBAA-CQSZACIVSA-N 280.371 3.919 30 20 CHED Cc1ccc(C#N)nc1NCc1cnccc1C(C)(C)C 596272854 KZQJLCHMVPLBIY-UHFFFAOYSA-N 280.375 3.566 30 20 CHED CC(C)c1ccc2c(c1)CN(c1ccnc(C#N)c1)CC2 596410344 IGYJNCVNKMJYAG-UHFFFAOYSA-N 277.371 3.639 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1ccc(Cl)nc1)C2=O 749000254 WJHCCCZBJSZOJD-MDWZMJQESA-N 299.757 3.956 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1ccc(F)cc1 918154430 NAVSJUAMIHHWKI-XFFZJAGNSA-N 272.250 3.624 30 20 CHED C#Cc1cccc(N(C)C(=O)/C=C(/C)C(C)(C)C)c1 742634686 SMBPAYXIMIUKIS-QBFSEMIESA-N 255.361 3.623 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc2cc(Cl)ccc2s1 597040684 XTZMMQUZONYABU-LLVKDONJSA-N 292.791 3.977 30 20 CHED N#Cc1ccc(/C=C2/CCc3cc(C#N)ccc3C2=O)cc1 742436927 HBWMCDDOMAKBNB-MFOYZWKCSA-N 284.318 3.642 30 20 CHED C=CCC(CC=C)C(=O)N(CCC)CC(F)(F)F 675153589 QSEHTLLHHUBPPT-UHFFFAOYSA-N 263.303 3.556 30 20 CHED CCc1ccc(CN(CC(C)C)C(=O)C(C)(C)C#N)cc1 592672023 LUDCQXAGOGAORR-UHFFFAOYSA-N 286.419 3.783 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@]2(C)CCc3ccccc32)n1 842678196 ZWNRWKFWRHJMSG-SUMWQHHRSA-N 296.395 3.532 30 20 CHED N#CC1(CCOC(=O)C2SCCCS2)CCCCC1 842121816 DVUOABQXLFZHGV-UHFFFAOYSA-N 299.461 3.590 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1nc(C)cc(C)c1C#N 598856970 KZICMCHPORPLGH-CYBMUJFWSA-N 273.380 3.581 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1nc(C#N)c(Cl)s1 596136539 BKXARHAYEZASPJ-WCABBAIRSA-N 281.812 3.826 30 20 CHED C=CCOC(=O)c1sc(Cc2ccc(F)cc2)nc1C 915239316 SMBPGMMMIPDGDD-UHFFFAOYSA-N 291.347 3.524 30 20 CHED C#C[C@@H](OC(=O)CCC=C)c1cccc(C(F)(F)F)c1 842410581 YJIQYQOYJZQVKP-CYBMUJFWSA-N 282.261 3.889 30 20 CHED CCOc1cccc(NC(=S)Nc2cccc(C#N)c2)c1 742976095 YWGWSIJOWUGIFT-UHFFFAOYSA-N 297.383 3.766 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=Cc1cc(C)cc(C)c1 746682185 SHMCAORGMJXFOX-UHFFFAOYSA-N 299.330 3.666 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 841369241 ZCJURLMSQKWBRW-MUSGIIIZSA-N 282.387 3.798 30 20 CHED C=CCCSCCN[C@H](c1cccnc1)C1CCC1 595060532 UZDPICSKLMGQTH-INIZCTEOSA-N 276.449 3.822 30 20 CHED C=CCCCCCN(C)C(=O)NCCSC(F)(F)F 740032063 FSWHUAZSBWQNSK-UHFFFAOYSA-N 298.374 3.627 30 20 CHED N#CCCCOc1cccc(CN[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 594985342 WNODSUOCJUMINJ-WAARBJQMSA-N 296.414 3.503 30 20 CHED CO[C@H](C/N=C\c1cc(Cl)cc(Cl)c1O)C1CC1 840707973 YXVKFYDALHBONO-SRWYSLEYSA-N 288.174 3.543 30 20 CHED C#CCN(CC)C(=O)N[C@@H](c1cccs1)C(CC)CC 919910529 WPGLLIYDNWHSQT-OAHLLOKOSA-N 292.448 3.890 30 20 CHED CC1=C(C)C[C@H](C(=O)[C@@H](C#N)c2nc(C)cs2)CC1 842677990 PUMHYKISFWAROE-CHWSQXEVSA-N 274.389 3.764 30 20 CHED C=CCN(C(=O)Nc1ccccc1N1CCCC1)C(C)C 916707079 GURUFYZZKZOSRK-UHFFFAOYSA-N 287.407 3.715 30 20 CHED Cc1cc(C)cc(OCCNc2cccc(CC#N)c2)c1 590778176 FDIPFRGKBQDDRL-UHFFFAOYSA-N 280.371 3.860 30 20 CHED C[C@H](CC#N)N(C)CCSc1cccc(Cl)c1 595343152 DWBGGGBWZVFPJM-LLVKDONJSA-N 268.813 3.666 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](OC)c1ccccc1Cl 682382389 GVYWIORWMBUJKR-GDBMZVCRSA-N 295.810 3.746 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(OCC(C)C)cc2)no1 844549258 AUZMCOSVFIZBDN-RMKNXTFCSA-N 285.343 3.914 30 20 CHED FC(F)(F)c1ccccc1C=NOC[C@@H]1C[C@H]2CC[C@H]1O2 842015411 LAUMCLQJXGDCRR-OUCADQQQSA-N 299.292 3.623 30 20 CHED CC(C)[C@@H](C(=O)OCCCCC#N)c1ccccc1 744141606 ZFRLPZWRIIPLAX-OAHLLOKOSA-N 259.349 3.663 30 20 CHED C=C1CCN(C(=O)c2oc3ccc(OC)cc3c2C)CC1 591092366 GDOWXZABVJDDQW-UHFFFAOYSA-N 285.343 3.542 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc(N(C)C)cc2)co1 844552525 MBNSSQPTXAQGST-YFHOEESVSA-N 284.359 3.760 30 20 CHED N#CC1(CCOC(=O)c2ccnc(Cl)c2)CCCCC1 840194939 WJUYAJUVJOPJHR-UHFFFAOYSA-N 292.766 3.756 30 20 CHED COc1ccc(F)cc1-c1cc(C#N)cc(N2CCCC2)c1 596627403 YHTACPKAHNFABJ-UHFFFAOYSA-N 296.345 3.973 30 20 CHED Fc1ccc(C=NNc2cc(F)c(F)c(F)c2)cc1F 747642258 LINXAKVXLBTHSM-UHFFFAOYSA-N 286.203 3.828 30 20 CHED CCC(=NNc1ncccc1C(F)(F)F)C1CC1 741163353 QIWGBAZABUKPRR-UHFFFAOYSA-N 257.259 3.688 30 20 CHED CC#CCOC(=O)c1cc(C)n(C2CCCCC2)c1C 744518746 XTRXGABEIUMACC-UHFFFAOYSA-N 273.376 3.790 30 20 CHED C#CCN(C(=O)Nc1c(C)cc(C)cc1Cl)C(C)C 929253595 ANODOYWYBOVEIE-UHFFFAOYSA-N 278.783 3.832 30 20 CHED CCSCCSc1cc(C)c([N+](=O)[O-])cc1C#N 840285102 DZTKIGAVHXHWLK-UHFFFAOYSA-N 282.390 3.620 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CC12CCOCC2 748844412 RYEIMQOJBDBWEG-CVEARBPZSA-N 295.467 3.916 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1N1CCCC1 682372952 BVBHIXPWEODHGG-SFHVURJKSA-N 286.419 3.505 30 20 CHED CC1(C)CCC/C(=C/c2cccc(OCC#N)c2)C1=O 757535806 WEZLJNGPSQDFRB-KAMYIIQDSA-N 269.344 3.752 30 20 CHED N#Cc1ccc(C=NNc2cc(Cl)ccc2Cl)o1 751895252 IECHXXYPLYBIJB-UHFFFAOYSA-N 280.114 3.904 30 20 CHED C#CCCCSCc1ncsc1Br 853770783 PJDSPPFWQNPYNC-UHFFFAOYSA-N 276.224 3.552 30 20 CHED Cc1noc(C)c1[C@@H](C)NCC#Cc1ccc(Cl)cc1 680381870 YZBLZSTXVFOPHP-LLVKDONJSA-N 288.778 3.647 30 20 CHED C=CCC1(NC(=O)C[C@H](O)CC[C@H](C)CC)CCCC1 855928103 GOLXVXOSZOWUDP-HUUCEWRRSA-N 281.440 3.569 30 20 CHED Fc1cccc(C=NOCCCOCc2ccccc2)c1 758765753 WXSJJLWLIGPWBG-UHFFFAOYSA-N 287.334 3.783 30 20 CHED CC(=O)Nc1ccccc1C=NNc1cc(C)ccc1F 755773160 RVLSBTPHWLOZBL-UHFFFAOYSA-N 285.322 3.539 30 20 CHED C#CCOc1ccc(CNCc2ccc(Cl)c(C)c2)cc1 758016071 JHONPCQQJUJZME-UHFFFAOYSA-N 299.801 3.950 30 20 CHED COc1cc(C#N)ccc1OC(=O)CC1(C)CCCCC1 753021415 VVMKAHPJMSVXNE-UHFFFAOYSA-N 287.359 3.833 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCO[C@@H](c2cccs2)C1 926565916 YPBJYQMXVURQSX-BFHYXJOUSA-N 292.448 3.886 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1cccc(C#N)c1 925184340 BHAQKSRVIPMLPC-QWHCGFSZSA-N 255.365 3.537 30 20 CHED CCCc1ccc(C=NO[C@H]2CCCCO2)s1 857211738 MXTQEGAXMRMQJC-ZDUSSCGKSA-N 253.367 3.578 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccc(CCC)cc1 752234436 SQFJCOJYBLYZRX-ZDUSSCGKSA-N 262.349 3.526 30 20 CHED C#CCCCN[C@@H](c1ccc(CC)cc1)c1cccnc1 925161519 PPKOIHKOSPMALR-IBGZPJMESA-N 278.399 3.736 30 20 CHED CC(=NOCC(F)F)c1ccc(N2CCCCC2)cc1 758903581 IDDQGEHTZAZHOW-UHFFFAOYSA-N 282.334 3.683 30 20 CHED O=C(/C=C/c1cc2ccccc2o1)c1ccc(O)cc1O 757471668 ISKMVNHCGZXJDP-SOFGYWHQSA-N 280.279 3.740 30 20 CHED C[C@H]1CCCC[C@H]1CNc1snc(Cl)c1C#N 920337168 AXWJWWVPLBICJJ-IUCAKERBSA-N 269.801 3.906 30 20 CHED COc1cccc(NN=Cc2cccc(Cl)c2F)c1 759648233 JUZXSDGMMGWQOT-UHFFFAOYSA-N 278.714 3.934 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2F)cc1F 751335071 KWHMVXHNOQLECZ-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCC(=O)c1cccs1 851214779 WSQLMMSJILPKTP-NSHDSACASA-N 293.388 3.583 30 20 CHED N#Cc1cccc(CNc2ccc3ncccc3c2)c1 54107848 DFBGUTWSLSGWQY-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C=CC1CCN(C(=O)c2cc(F)cc3ccoc23)CC1 932505342 FEBBSVDKYIJVRW-UHFFFAOYSA-N 273.307 3.610 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 933015648 UIVSOPFSGYDTBD-XUWXXGDYSA-N 284.403 3.687 30 20 CHED C=C(C)C[C@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)O 864530465 YOUMYIOPTSWNMO-HNNXBMFYSA-N 287.359 3.559 30 20 CHED C=CC[C@H]1N(C(=O)c2ccnc(Cl)c2)CCCC1(C)C 767218443 IRMQKJKMGXBQMH-CYBMUJFWSA-N 292.810 3.942 30 20 CHED Cc1cc(OC(=O)/C=C/c2ccsc2)ccc1C#N 765099245 RGGSGIDORVURTP-GORDUTHDSA-N 269.325 3.547 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc2oc(COC)nc2c1 934292541 QWBHMXVDHGPEOG-LLVKDONJSA-N 288.347 3.515 30 20 CHED N#Cc1ccnc(S[C@H]2CCc3ccccc3C2)c1 763179820 IEKUHMYSQPVHEU-HNNXBMFYSA-N 266.369 3.603 30 20 CHED C=C1CCN(C(=O)Nc2ccc(CC)c(C)c2)CC1 930653851 FGYCOMFGEHNOOF-UHFFFAOYSA-N 258.365 3.741 30 20 CHED C#CCCN(C[C@H]1CCc2ccccc21)CC(F)(F)F 767898624 BSGAAUBSCJVJNK-CQSZACIVSA-N 281.321 3.604 30 20 CHED FC(F)(F)CON=C1CCC[C@@H]1Cc1ccccc1 764847507 SYDAQOHIIDDZAS-GFCCVEGCSA-N 271.282 3.964 30 20 CHED C[C@H]1CCCC1=NNCc1cnc2ccccc2c1 764788039 IHTPZIPMMRUVMR-LBPRGKRZSA-N 253.349 3.500 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(OC(C)C)c(Cl)c1 769962669 HFXFNXAWZSISRT-GFCCVEGCSA-N 265.784 3.581 30 20 CHED N#CCc1cccc(N2CCC(C3CCCCC3)CC2)n1 1118299827 LJILZQPCXCWNIC-UHFFFAOYSA-N 283.419 3.944 30 20 CHED CN(C(=O)CCc1cccc2ccccc12)C1(C#N)CCC1 864994287 GHJCWVYIINREDA-UHFFFAOYSA-N 292.382 3.677 30 20 CHED Cc1ccc2c(c1)OCCCC2=NOCCC(F)(F)F 777461297 WSJITPSMLZATPA-UHFFFAOYSA-N 287.281 3.841 30 20 CHED CN(C(=O)CCC(C)(F)F)c1ccc(C#N)c(Cl)c1 876166425 ULWUVBZDKGRZSL-UHFFFAOYSA-N 286.709 3.610 30 20 CHED CC#CCCOC(=O)CCOc1ccc2ccccc2c1 760284377 PELOWOPPHSAKHU-UHFFFAOYSA-N 282.339 3.565 30 20 CHED Cc1ccc(C(=O)OCC2(C#N)CCCC2)c(F)c1F 870274120 FRYIUIOBVBMNDF-UHFFFAOYSA-N 279.286 3.514 30 20 CHED C[C@@H]1C(=NNc2ccc(C(C)(C)C)nn2)CCC[C@H]1C 1116515482 HQEHLVODUQLIQB-NEPJUHHUSA-N 274.412 3.998 30 20 CHED C=CC(C)(C)CC(=O)NCc1nc2ccccc2s1 877893522 QHNVEYMCAPJRMY-UHFFFAOYSA-N 274.389 3.515 30 20 CHED C#CCCCCCC(=O)Nc1nc2c(s1)CCCC2 779722722 OOOAAWYFQOIBOR-UHFFFAOYSA-N 276.405 3.544 30 20 CHED N#CCc1ccccc1CC(=O)OC/C=C\c1ccccc1 777168296 YMIJHLFQDBPWQV-TWGQIWQCSA-N 291.350 3.552 30 20 CHED C#CCCCCCC(=O)N(C)c1cc(Cl)ccc1OC 779940235 ORPNKARTFPUXSP-UHFFFAOYSA-N 293.794 3.895 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2cscn2)c1 776193370 QVOLKTHZWTUXJD-VOTSOKGWSA-N 273.357 3.826 30 20 CHED C=CC(C)(C)CC(=O)OCc1cccnc1C(F)(F)F 884649027 QBRMPSWAKAGQJB-UHFFFAOYSA-N 287.281 3.746 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccccc1OC 1127715822 IOQCVURDWVRXJW-LBPRGKRZSA-N 275.348 3.629 30 20 CHED C=C(C)CNC(=O)Nc1ccc(N(C)CCCC)cc1 779425205 WAILJFZZGAWARI-UHFFFAOYSA-N 275.396 3.621 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)OCc2cccc(C#N)c2F)C1 774963441 RQPSQCOJMXGYFI-VXGBXAGGSA-N 275.323 3.567 30 20 CHED C#CCCN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 770688396 XNQKGSLZRIWGMW-CQSZACIVSA-N 299.361 3.819 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc(F)c2occc12 1126857645 LRJVBQCUYAPVBV-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CN(C[C@H]1CC=CCC1)C(=O)Nc1cc(C#N)ccc1F 888364159 ZOJJAPRKUPVRAE-LBPRGKRZSA-N 287.338 3.517 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@H](CF)C1 882841566 YXCXLQSWVDLMIT-SNVBAGLBSA-N 289.741 3.556 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1cc(F)ccc1F 888621137 GNOVMZWWCVJXFC-UHFFFAOYSA-N 253.292 3.530 30 20 CHED C[C@@H](OC(=O)c1cccnc1C1CC1)c1cccc(C#N)c1 784865305 SGNPBSULFMAJFS-GFCCVEGCSA-N 292.338 3.749 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)OC[C@H](C)C#N)c1C 781516963 QGHPWCBUPGNXHW-LLVKDONJSA-N 283.327 3.880 30 20 CHED CCCCCCCCC(=O)N[C@H](C)[C@H]1CCCOC1 780118473 PCVXHLSCVMBONM-CABCVRRESA-N 269.429 3.668 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)c1ccc(C)cc1C 1125284583 RXRPBWTZFDRKPC-UHFFFAOYSA-N 296.345 3.981 30 20 CHED Fc1ccc(NN=Cc2cc(Cl)cs2)cc1 782112503 FKGJEAKQZGDLIV-UHFFFAOYSA-N 254.717 3.987 30 20 CHED CC(C)(C#N)CC(=O)N1CCc2cc(C(C)(C)C)ccc21 783081412 UJFWQXQFZVUPLB-UHFFFAOYSA-N 284.403 3.813 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)CCCC(C)=O)c1cccs1 1123010156 PAAPIBBSLDITOZ-WFASDCNBSA-N 293.388 3.641 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)cc1F 1129654411 ZWMKFRBJFQXIRR-HIFRSBDPSA-N 288.366 3.642 30 20 CHED Cn1cc(/C=C2\Cc3c(Cl)cccc3C2=O)c(C2CC2)n1 899350277 BPCKDIXOQDVAIJ-YRNVUSSQSA-N 298.773 3.773 30 20 CHED CSc1ccccc1C(=O)OCCCC(C)(C)C#N 782063461 YFUSHXFTFNZRBR-UHFFFAOYSA-N 277.389 3.895 30 20 CHED C=CCCO[C@@H](C)C(=O)OC/C=C\c1ccc(Cl)cc1 787667963 JMQLFVZTVZXFJZ-SZZPACECSA-N 294.778 3.878 30 20 CHED C=CCC(CC=C)C(=O)OCc1csc(C2CC2)n1 784118316 LJGOTGNYDJMBKJ-UHFFFAOYSA-N 277.389 3.832 30 20 CHED Cc1cc(COc2ccc3ccc(=O)oc3c2)ccc1C#N 783002604 YRIPPFCDPSQPJN-UHFFFAOYSA-N 291.306 3.552 30 20 CHED C#Cc1cccc(N[C@@H](C)CCc2n[nH]c3ccccc23)c1 784657698 ILUOUZYUWSDBOV-AWEZNQCLSA-N 289.382 3.977 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc(F)cc1Cl 782287398 KQGZPRJRDSRVCP-CYBMUJFWSA-N 268.763 3.981 30 20 CHED C[C@H](C#N)COC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 892867710 IPYIPBINQSNFGC-SNVBAGLBSA-N 299.292 3.686 30 20 CHED C[C@H]1CC(C)(C)CCC1=NN[C@H](CO)c1ccccc1 788456950 GCUMTQOPHSBWRE-XJKSGUPXSA-N 274.408 3.512 30 20 CHED C[C@H](CCC#N)CNc1ccc(Cl)c(N(C)C)c1 896650205 RRXMFJLUILEXLG-LLVKDONJSA-N 265.788 3.758 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc2cnccc2c1 782355062 RKRMUTPOFAOPOV-IUXPMGMMSA-N 297.317 3.599 30 20 CHED C#C[C@H](NCc1nc(-c2ccccc2)cs1)C(C)(C)C 702257598 PDOLTQJEGVSIQI-HNNXBMFYSA-N 284.428 3.948 30 20 CHED N#Cc1c(F)cccc1N1CCS[C@H]2CCCC[C@H]21 301540139 BXJLGDMXDTWYSJ-CABCVRRESA-N 276.380 3.562 30 20 CHED C#C[C@@H](Cc1ccccc1)OC(=O)c1nc(C(C)C)oc1C 797171972 LFDJEPWWOMXWNS-HNNXBMFYSA-N 297.354 3.508 30 20 CHED O=C(/C=C/c1ccnc(Cl)c1Cl)c1ccc(O)cc1 791433759 IAANTNRGWMQCCD-ZZXKWVIFSA-N 294.137 3.990 30 20 CHED COc1ccc(C=NNc2ncccc2F)c2ccccc12 794984866 OOGGHERALZQTPM-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C[C@H]1CCc2c(F)cccc2C1=NNCCC(F)(F)F 794551270 DSDNDNGDRWONIM-VIFPVBQESA-N 288.288 3.654 30 20 CHED C=CCC1(NCc2cccc(C#N)c2F)CCCC1 595780115 HXGDQYQWBGOJHW-UHFFFAOYSA-N 258.340 3.676 30 20 CHED CCc1cccc(NC(=O)Nc2ccc(OC)c(C#N)c2)c1 1202887070 UBCBUCZQLARTNV-UHFFFAOYSA-N 295.342 3.773 30 20 CHED CC[C@@H](C)CCC(=O)O[C@H](C)c1cccc(C#N)c1 796961301 GVDBSRYSYPPWJN-CHWSQXEVSA-N 259.349 3.989 30 20 CHED N#CCC1(COc2ccccc2OCC(F)(F)F)CC1 596254965 NTFZFFIMJNLKPB-UHFFFAOYSA-N 285.265 3.700 30 20 CHED N#Cc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1F 192065196 UAEOLIYRNUDHRO-HOTGVXAUSA-N 290.407 3.557 30 20 CHED N#Cc1cccc(SCC[C@@H](O)c2ccccc2)c1 795223665 QEMLFCMCVYBPHM-MRXNPFEDSA-N 269.369 3.774 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)NCC1(CC#N)CC1 797564583 SVQDFXCJNIJSIJ-FMIVXFBMSA-N 288.778 3.553 30 20 CHED C=C[C@H](CC(=O)OC[C@@H]1CCC(C)(C)O1)c1ccccc1 792019537 FNXPNJSONFYDNL-ZBFHGGJFSA-N 288.387 3.847 30 20 CHED C=CCN1CC[C@H](Nc2ccc(C(C)(C)CC)cc2)C1=O 798389523 FVNJQZGXSDRNPH-INIZCTEOSA-N 286.419 3.573 30 20 CHED Cc1nc2c(s1)C(=NNCC1(C)CCCC1)CCC2 793084283 JPKMZWGSZPGCBL-UHFFFAOYSA-N 277.437 3.662 30 20 CHED C#C[C@H](NC(=O)CCCc1csc2ccccc12)C(C)C 799042749 NSUBACQANIFGGY-INIZCTEOSA-N 299.439 3.998 30 20 CHED COc1ccc(C(=O)/C=C/c2c(F)ccc(O)c2F)cc1 794925823 DOTIAYRTLRZRSS-SOFGYWHQSA-N 290.265 3.575 30 20 CHED CC(C)CCN(c1cccc(C#N)n1)C1CCCC1 94848328 GRHDWMURAOZACY-UHFFFAOYSA-N 257.381 3.748 30 20 CHED Cc1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(C)o1 96995317 VZRLYBGNQBKRMT-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CCCOc1cccc(CN2CCc3ccc(C#N)cc32)c1 1307652568 XCAJUYHCOGGZCK-UHFFFAOYSA-N 292.382 3.910 30 20 CHED Cc1cc(CN2CC[C@@H]3CCCC[C@@H]32)ccc1C#N 1474600284 YXEOKLVLAYLCLF-RDJZCZTQSA-N 254.377 3.631 30 20 CHED N#CC[C@@H](CC(=O)OCC=C(Cl)Cl)c1ccccc1 1327978417 NOTLGRNGYZNFCT-LBPRGKRZSA-N 298.169 3.936 30 20 CHED Cc1cc(OC(=O)c2cccc(C#N)c2C)ccc1F 1325217795 SOOONCXIHGXXEA-UHFFFAOYSA-N 269.275 3.533 30 20 CHED N#Cc1ccc(OCc2nnc([C@H]3CC34CCCC4)o2)cc1 1322128516 VORUEVJXAXFECK-CQSZACIVSA-N 295.342 3.568 30 20 CHED Cn1cc(-c2ccc(/C=C\C(=O)c3ccccc3)cc2)cn1 1322456789 UKFZNQXYDYCVNX-XFXZXTDPSA-N 288.350 3.983 30 20 CHED CC(C)[C@H]1N(c2ccnc(C#N)c2)CC12CCCCC2 1186669159 CHAHBHGYKMWELO-MRXNPFEDSA-N 269.392 3.748 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)OC1CCCCC1 1330490484 SNFVZTQKSITXJW-ZDUSSCGKSA-N 286.375 3.543 30 20 CHED Cc1ccc(C=NNc2ccc(C(C)(C)C)nn2)cc1F 1251931772 PNWIGDSBXZOXIJ-UHFFFAOYSA-N 286.354 3.668 30 20 CHED C[C@H]1CCC[C@@]1(C)c1nnc(COc2ccc(C#N)cc2)o1 1330076065 ZGXXXQYHLKSWDW-YVEFUNNKSA-N 297.358 3.598 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 1333749778 CSIGFGFDNOBXKW-ZDUSSCGKSA-N 280.375 3.501 30 20 CHED C=C1CCC(C(=O)NC2CC(c3ccccc3)C2)CC1 1332037579 SEZNZANQQMLNNR-UHFFFAOYSA-N 269.388 3.795 30 20 CHED N#CCCCCCC(=O)NCc1cccc(C(F)F)c1 1261089923 CCTRVUVBGJIOMH-UHFFFAOYSA-N 280.318 3.714 30 20 CHED N#Cc1ccc(COC(=O)c2cccc3ccsc23)nc1 1348152277 YKNMJVNSNNRBFL-UHFFFAOYSA-N 294.335 3.525 30 20 CHED Cc1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c(Cl)c1C 1343352070 UCWIOWTWJPKMPE-RYUDHWBXSA-N 277.751 3.806 30 20 CHED C=C(CC)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 1346293067 LKANYFIDLSMTGX-UHFFFAOYSA-N 297.402 3.960 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc([C@H]2CCO[C@@H]2C)o1 1346006051 ZBRIVUARJLPDLR-VHDGCEQUSA-N 284.359 3.670 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 1518213411 QYMYWSGCHHLHJW-XJKCOSOUSA-N 271.360 3.989 30 20 CHED CCC[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F 1458166305 QIHBGGAQCHYFMY-TZMCWYRMSA-N 261.344 3.863 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(F)c2F)c(Cl)c1 225784679 XRQAVPRRCVUBDQ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1cc(C#N)ccc1F 1537110918 CFICRJOMRWHTDK-MRXNPFEDSA-N 288.366 3.738 30 20 CHED Cc1cc(N2CCC[C@H]2CCC(C)C)ncc1C#N 1472727612 NJDNXGTVVNRQJQ-HNNXBMFYSA-N 257.381 3.667 30 20 CHED C#CCCCCC(=O)Nc1ccc(Cl)c(F)c1 119621853 CCVYYXBOWRFQMV-UHFFFAOYSA-N 253.704 3.611 30 20 CHED CCc1ccc2ccccc2c1CNc1cc(C#N)ncn1 1559275615 MLYUDXTYPZOWIK-UHFFFAOYSA-N 288.354 3.676 30 20 CHED CCc1ccc(NCc2cc(C#N)ccc2F)cc1 20053718 UGBFJUCMJWURQP-UHFFFAOYSA-N 254.308 3.872 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 1562143796 QAACWCZDRZNUPU-ZIAGYGMSSA-N 271.364 3.506 30 20 CHED Cc1nc(N2CC[C@@H](C(C)(C)C)C[C@H]2C)ccc1C#N 1642746196 QPIJVOWGTKJJDB-IUODEOHRSA-N 271.408 3.913 30 20 CHED C#CCCCCCCSc1nc(C(=O)O)cs1 1573302435 VWGJRWGEJCJCCX-UHFFFAOYSA-N 269.391 3.517 30 20 CHED N#Cc1c(F)cccc1N1CCc2cc(F)ccc21 1655417880 VLLBZKIZMWFNQE-UHFFFAOYSA-N 256.255 3.531 30 20 CHED N#Cc1cccc(OCCN(c2ccccc2)C2CC2)c1 1658656205 BPALWQYVRTYQOG-UHFFFAOYSA-N 278.355 3.606 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@H]1Cc2ccccc21 1584892396 MFWPODXPVUKPIR-SFHVURJKSA-N 298.345 3.990 30 20 CHED CC(F)(F)c1ccccc1NC(=O)c1ccc(C#N)s1 1583073525 YWOODTFGXGQYJY-UHFFFAOYSA-N 292.310 3.984 30 20 CHED Cc1cc(SCc2nccn2C(F)F)ccc1C#N 1652058915 YOSNLEASEREFIX-UHFFFAOYSA-N 279.315 3.751 30 20 CHED CCc1ccc(N[C@H](C(=O)O)c2cccc(C#N)c2)cc1C 1597552367 WMRZREHUABYPTN-KRWDZBQOSA-N 294.354 3.667 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccccc1 1679985397 KGJHAPZYKXKFPP-CKEIUWERSA-N 286.419 3.824 30 20 CHED O=C(O)c1ccc(NN=CC[C@@H]2C[C@H]2c2ccccc2)cc1 1776012081 BLUMVUXWIJQZJA-WBVHZDCISA-N 294.354 3.976 30 20 CHED C=CCCCCCN(C)Cc1nnc(C(C)(C)C)o1 150888973 YDKWOZSLEBUSNN-UHFFFAOYSA-N 265.401 3.545 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc(OC(F)(F)F)cc1 206981023 NXUMCHJSYKGAFG-BAQGIRSFSA-N 293.244 3.876 30 20 CHED COc1cc(C(=O)/C=C/C=C/c2ccc(F)cc2)ccc1O 158708183 HJDCDSHOPHFACW-ZUVMSYQZSA-N 298.313 3.992 30 20 CHED N#CCC[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1 163546975 FPJXETBKEBDCQJ-OAHLLOKOSA-N 297.333 3.992 30 20 CHED CC(C)c1noc(N[C@H](CCC#N)c2ccccc2)n1 164280265 UZTKTYSMYZPRIB-CYBMUJFWSA-N 270.336 3.650 30 20 CHED N#CCC[C@@H](NC(=O)c1cccc(Cl)n1)c1ccccc1 153607994 FVMVURCBVDLUDF-CYBMUJFWSA-N 299.761 3.510 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@@](C)(O)CC)cc1 154605630 ZDULRSMLRMGKRW-BBRMVZONSA-N 297.826 3.630 30 20 CHED Cc1cccc(CN(CCC#N)Cc2cccnc2)c1C 159042216 OHBIDVMOTKNZTE-UHFFFAOYSA-N 279.387 3.614 30 20 CHED Oc1ccccc1/C=N/Cc1nnc(-c2ccccc2)s1 159833954 WJUGUKBIAULCSC-LICLKQGHSA-N 295.367 3.530 30 20 CHED CN(Cc1csc2ccccc12)CC(C)(C)C#N 259004333 ZGRWXWZBBRCZAE-UHFFFAOYSA-N 258.390 3.883 30 20 CHED N#C[C@@H]1CCCN(Cc2csc(-c3cccs3)n2)C1 932160376 AXPBEQFQUAFMEF-NSHDSACASA-N 289.429 3.607 30 20 CHED N#Cc1cccc(Br)c1NC(C1CC1)C1CC1 1306908210 DKFZTZWQEJJIJZ-UHFFFAOYSA-N 291.192 3.921 30 20 CHED Cc1ncc([C@H](C)Nc2cccc(F)c2C#N)s1 1307186338 ZKPWOSRHQVHJMX-QMMMGPOBSA-N 261.325 3.635 30 20 CHED CCN(CCC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 347233194 QMVQMSQXILJIDO-GOSISDBHSA-N 299.462 3.523 30 20 CHED C[C@H](NCC1(C2CC2)CCC1)c1cccc(C#N)c1 182059231 GPVYBBUDSYRDEC-ZDUSSCGKSA-N 254.377 3.789 30 20 CHED CCC[C@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 182820208 DYYJCJLIZVWPHQ-HNNXBMFYSA-N 271.364 3.745 30 20 CHED Cc1c(C(=O)NC2(C#N)CCC2)oc2ccc(Cl)cc12 299303077 GFFSVTOUJPSBNL-UHFFFAOYSA-N 288.734 3.571 30 20 CHED N#CC1(NC(=O)CCSc2ccccc2)CCCCC1 60855387 KAMXUNCZVGJSPF-UHFFFAOYSA-N 288.416 3.511 30 20 CHED N#Cc1ccc(CNc2cc(F)c(F)c(F)c2)c(F)c1 61095791 ZEMJQLLILPFNPJ-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1F)Oc1ccccc1 301292129 QSKYDCHTBOWSAK-LBPRGKRZSA-N 270.307 3.577 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1)C1=CCCC1 308758979 TWVKNTWMTKTLQE-UHFFFAOYSA-N 254.377 3.784 30 20 CHED N#Cc1c(F)cccc1NCC1CCC(F)(F)CC1 409671114 ADCASKFPJSUKQB-UHFFFAOYSA-N 268.282 3.935 30 20 CHED CC[C@](C)(CNc1ccc(C#N)cc1Br)OC 322759501 FYKJMGDSHQMUSW-CYBMUJFWSA-N 297.196 3.548 30 20 CHED C[C@@H](CC#N)N(C)Cc1cscc1C(F)(F)F 356190559 IEWOFQZQFQYJRC-QMMMGPOBSA-N 262.300 3.501 30 20 CHED N#Cc1ccc(OCCOC2CCCC2)cc1Cl 431926811 OELFLGJPJVJWLP-UHFFFAOYSA-N 265.740 3.550 30 20 CHED Cc1ccc([S@](=O)Cc2ccc(CC#N)cc2)cc1C 342129724 HFJOEYNMWSMQEM-HXUWFJFHSA-N 283.396 3.677 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1ccc(Cl)cn1 343226377 QSZUPMIDGXJFSS-VIFPVBQESA-N 275.714 3.919 30 20 CHED C=CCCC(C)(C)NCc1ccc(OC)cc1OC 657805352 NAZVZZMUIAGGRW-UHFFFAOYSA-N 263.381 3.538 30 20 CHED N#Cc1cc(N2CCC[C@H]3C[C@@H]32)ccc1C(F)(F)F 588066611 TVHOMGGHBKUGMJ-ZANVPECISA-N 266.266 3.566 30 20 CHED C=C(C)CN(CC)CC[C@@H](C)OCc1ccccc1 475050581 BVOYZAZFPWMZPU-MRXNPFEDSA-N 261.409 3.880 30 20 CHED C#C[C@H](C)N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 368046707 ZPYBQTDHYJQJMZ-ZRUFSTJUSA-N 253.798 3.505 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2cc(C#N)cc(Cl)n2)CCO1 721832598 KQUVVOLLNVAMGX-NWDGAFQWSA-N 293.798 3.612 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCC[C@H](CC#N)C1 397602546 ALGORDVBTQBLMR-HUUCEWRRSA-N 264.413 3.601 30 20 CHED CCC1(CC)CCN(Cc2ccc(CC#N)cc2)C1 398994868 OLTSNAJIQQVKHP-UHFFFAOYSA-N 256.393 3.765 30 20 CHED C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 7383976 ZASPWLLPABODNX-NSHDSACASA-N 299.761 3.651 30 20 CHED CC(C)[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 7924449 JXZVLIIYWIEJHX-KRWDZBQOSA-N 278.355 3.685 30 20 CHED N#CC1(C(=O)Nc2cccc(C(F)(F)F)n2)CCCCC1 101822517 IFJCICIUBLFYKB-UHFFFAOYSA-N 297.280 3.513 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccc(F)c(F)c2)c1 59270205 JKPZFNYIXQNXMM-FNORWQNLSA-N 269.250 3.733 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(C#N)cn1C(C)(C)C 176691586 WKMGJZOSIKEDAQ-VXGBXAGGSA-N 288.395 3.519 30 20 CHED C[C@@H](Sc1nnc2n1CCCCC2)c1ccc(C#N)cc1 118172248 NSUOGANGRGVDLE-GFCCVEGCSA-N 298.415 3.729 30 20 CHED N#Cc1ccc(N2Cc3ccccc3C2)c(Br)c1 119008074 GZAZCTKNDLGJHO-UHFFFAOYSA-N 299.171 3.841 30 20 CHED CC(C)(C)C1CCC(CNC(=O)NCCCCC#N)CC1 178686294 ZTTDNCIKXIRYBD-UHFFFAOYSA-N 293.455 3.832 30 20 CHED COc1ccc([C@@H](C)/N=C\c2ccccc2O)cc1 103010760 FZPWOAXJSZHEHP-ZSAINHDTSA-N 255.317 3.581 30 20 CHED N#Cc1ccc(CSCc2noc3c2CCCC3)cc1 108878887 YZDKUKYYNVIIKL-UHFFFAOYSA-N 284.384 3.858 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CCC1 464822758 NXTZMZOCGLSPAP-DLBZAZTESA-N 254.377 3.558 30 20 CHED CCN(CCC#N)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 107781933 UARGGOSJIHAUPX-MSOLQXFVSA-N 292.382 3.705 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@@H](C)CC(C)C 67791920 NFOGLAJFEVGEMT-LBPRGKRZSA-N 275.348 3.545 30 20 CHED Cc1cc(NCCSCc2ccccc2C#N)ccn1 302273771 HGZSZRMNXZIXMY-UHFFFAOYSA-N 283.400 3.607 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1 25839827 XJNPWNSQRKZOIO-UHFFFAOYSA-N 299.761 3.788 30 20 CHED CN(Cc1ccc(C#N)cc1F)[C@H]1CCc2ccccc21 29489391 GJHMEMKYYMZUML-SFHVURJKSA-N 280.346 3.817 30 20 CHED Cc1cccc([C@H](C)NCCCSCC#N)c1C 183738785 OEFMZAJOSNCJEC-AWEZNQCLSA-N 262.422 3.601 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccc2scnc2c1 302872571 CMYQAKNIFARXMZ-UHFFFAOYSA-N 276.324 3.783 30 20 CHED C[C@H]1CCC[C@@H]1Nc1ccc2cc(C#N)ccc2n1 301981218 QCMHXCJAYRUAPR-FZMZJTMJSA-N 251.333 3.707 30 20 CHED CC[C@H](CC#N)NC[C@H](C)c1cccc(Br)c1 184085550 QSNJBBVNDCGBTD-SMDDNHRTSA-N 295.224 3.834 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2)CS1 304303106 BNEBTZSRJUWSGI-GZMMTYOYSA-N 297.221 3.627 30 20 CHED CCOC(=O)[C@H](Sc1cccc(C#N)c1)c1ccccc1 177360495 GQKCZJSGYVBWLZ-MRXNPFEDSA-N 297.379 3.955 30 20 CHED Cc1nc(C(=O)N2CCC(CCC(C)C)CC2)ccc1C#N 177621638 SRQRRYPTXXTOAL-UHFFFAOYSA-N 299.418 3.550 30 20 CHED C=C(C)CCOC(=O)Cc1nc(-c2ccccc2)oc1C 174807923 RBXZUSUHBDAODX-UHFFFAOYSA-N 285.343 3.702 30 20 CHED C[C@@H](O)CCCOc1ccc(-c2ccc(C#N)cc2)cc1 402233277 DLNVXKNJIXPSMH-CQSZACIVSA-N 281.355 3.765 30 20 CHED CC[C@](C)(NCc1ccc(C#N)cc1)c1nc(C)cs1 174502447 VFTFFGQOUGUOGQ-INIZCTEOSA-N 285.416 3.738 30 20 CHED C=CCCC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C 110518624 FPVYAMAFUXIVBV-WFASDCNBSA-N 293.794 3.595 30 20 CHED CCCOc1ccc(Nc2ncccc2C#N)c(C)c1 301509756 CUAMHEWOGFCMDJ-UHFFFAOYSA-N 267.332 3.794 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)CCOc1ccccc1C#N 60466393 AHIMVNWWCZWOJQ-CQSZACIVSA-N 298.361 3.769 30 20 CHED CC(C)c1noc([C@H](C)O/N=C(\N)C2CCCCCC2)n1 179005363 QKZXJHCOSWOPJF-NSHDSACASA-N 294.399 3.513 30 20 CHED CC[C@H](C)c1ccc([C@H](NC(=O)CC#N)C(C)C)cc1 122855129 BIAYOJNFMBBFHF-SUMWQHHRSA-N 272.392 3.927 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)c1cccc(F)c1 172907212 LWGCJNASSUXOPV-GFCCVEGCSA-N 282.318 3.748 30 20 CHED CC1(C)C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CCO1 128310826 BUTVSZISPLQHPM-NSHDSACASA-N 298.308 3.947 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](CC)c2c(C)noc2C)c1 123317989 ZMUGTVBCZOZFHF-HNNXBMFYSA-N 297.358 3.546 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CCCc3sccc31)CCC2 61364195 TWXMSQMGAIYWMR-OAHLLOKOSA-N 295.411 3.993 30 20 CHED C=CCc1ccc(OCCCCCOC)c(OC)c1 174092717 OWIPQGWVXJCTGO-UHFFFAOYSA-N 264.365 3.619 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C(=C)C)c1ccc(F)c(F)c1 187986128 YMDPSNPTHVJHND-XHDPSFHLSA-N 294.345 3.846 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H](C)c2cccc(F)c2)C1 173794257 WPPPNVWKLMAYIA-GDZNZVCISA-N 288.366 3.518 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2ccccc21 69177835 HZXOFPWIIFBOTH-KRWDZBQOSA-N 290.366 3.925 30 20 CHED CCCc1sc(C(=O)N[C@](C)(C#N)C(C)C)cc1CC 302224753 ZOPTUSIUDPQRNC-MRXNPFEDSA-N 292.448 3.931 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 63747188 YBYGEGKAYVMVCA-GFCCVEGCSA-N 297.402 3.697 30 20 CHED Cc1noc(C)c1C[C@@H](C)Nc1ccc(Cl)cc1C#N 301390813 ZJWKDGOGKSQJAK-SECBINFHSA-N 289.766 3.860 30 20 CHED N#Cc1c(F)cccc1N(Cc1cccs1)C1CC1 78597894 BRJBDXBAKRXVDW-UHFFFAOYSA-N 272.348 3.928 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(C)(C)C#N 189091391 HTSIAFYGSYPMNN-NSHDSACASA-N 293.436 3.644 30 20 CHED C=CCCCCCCNC(=O)CC1(C(=O)O)CCCCC1 314540168 XSGJQXQPQYREOE-UHFFFAOYSA-N 295.423 3.664 30 20 CHED C=CC[C@@H](CC)N[C@@H](C(=O)OCC)c1cccc(Cl)c1 500779738 JZJMSLZPZXDULE-HUUCEWRRSA-N 295.810 3.889 30 20 CHED C=CCCC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 74264946 HZUVUHQSBUJMEJ-WBVHZDCISA-N 271.404 3.995 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H](C)c1ccccc1 185851477 YVLSJZDNWADSRB-QBYUYEEZSA-N 256.393 3.851 30 20 CHED C[C@H]1CN(c2ncccc2C#N)CC[C@@H]1c1ccccc1 78410798 IOASWADTTDNJNT-YOEHRIQHSA-N 277.371 3.583 30 20 CHED Cc1cc(Cl)ccc1NC(=O)[C@H](C)SCCC#N 413009329 CCSWCAITPWYPAT-JTQLQIEISA-N 282.796 3.622 30 20 CHED c1ccc2c(c1)CCC[C@@H]2O/N=C1/CCCOCC1 180482442 DEDKZWMYBGUKJI-GDGUIRGDSA-N 259.349 3.637 30 20 CHED C=CCCOCCN[C@@H](C)c1cc2c(cc1O)CCCC2 186186145 TYISSLFTINAJEW-AWEZNQCLSA-N 289.419 3.514 30 20 CHED C[C@H]1/C(=C/c2ccc(C#N)cc2)C(=O)c2c(O)ccc(F)c21 213220201 FZMIFUNJXKRTKM-AAIQCTMTSA-N 293.297 3.786 30 20 CHED Cc1cc(F)cc(NCc2ccc(C#N)c(C)c2)c1 444004569 YMMFIEOSYBVVFK-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=C(C)[C@@H](NC(=O)[C@@H](CC)SC)c1ccc(F)c(F)c1 186033319 DKVPVQJBCLCQSD-ZIAGYGMSSA-N 299.386 3.840 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2c[nH]nc2-c2ccccc2)C1 185899209 VSKKIPXWAQNJQJ-OCCSQVGLSA-N 266.348 3.571 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2nc3c(cc2C#N)CCCC3)C1 121949829 IOQPVDHRWXZHOO-QWHCGFSZSA-N 297.402 3.597 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCc1cccc(C)c1 189946500 UYPQZFKYZNRFAU-UHFFFAOYSA-N 286.419 3.859 30 20 CHED COc1ccccc1C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 315779297 VMQJYPYSEPURSO-GJZGRUSLSA-N 294.398 3.849 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)C(C)(C)CC 410724359 KMTHPVIKJZUSBP-KBPBESRZSA-N 264.413 3.744 30 20 CHED C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(C)(C)C#N 130852636 HBOMHENSSYYLFI-CYBMUJFWSA-N 298.386 3.972 30 20 CHED Cc1ccc(CNc2snc(Cl)c2C#N)cc1F 48552935 BYMMCMWKECRHJZ-UHFFFAOYSA-N 281.743 3.728 30 20 CHED CC(C)(C)c1ccc(C(C)(C)C(=O)N[C@H](C#N)C2CC2)cc1 505964687 DLEZLLSUZGRTHY-MRXNPFEDSA-N 298.430 3.680 30 20 CHED CC#CCCCC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C 410362203 UEDRTRHCXVOOBM-CXAGYDPISA-N 289.806 3.885 30 20 CHED CC[C@@H]1C[C@]1(NC(=O)CC(C)(C)C#N)c1cccc(C)c1 501650963 QYTPVNPXXWYGHN-RDTXWAMCSA-N 284.403 3.676 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCOc1ccccc1F 186482993 QFZCCGWQDZVQHH-AWEZNQCLSA-N 298.361 3.769 30 20 CHED CCC[C@]1(C)CCCN(CCCC2(C#N)CCOCC2)C1 410388114 ADOLGIGBAQICFC-QGZVFWFLSA-N 292.467 3.989 30 20 CHED C#CCCNc1cc(Br)ccc1Cl 82497092 BWJYREJDFOKUSF-UHFFFAOYSA-N 258.546 3.538 30 20 CHED OC(=Nc1nc2ccccc2[nH]1)c1coc(C2CCCC2)n1 328839916 YVQMWZUDELKGMZ-UHFFFAOYSA-N 296.330 3.845 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCCCC[C@H]1O 135795406 AQBFIWOXKGKQGN-ZIAGYGMSSA-N 298.308 3.683 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)CS1 86934760 VQTGQFYIOIYOPR-LDYMZIIASA-N 252.770 3.518 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 134834059 CWIRIUAOFAKDLD-GDBMZVCRSA-N 272.392 3.724 30 20 CHED C#CCCCC(=O)Nc1cc(-c2nc(C)co2)ccc1C 192153004 DUQQFPKGKVNTCN-UHFFFAOYSA-N 282.343 3.700 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](C)OCC1CC1)c1ccccc1 133915712 FTDQGCCGYDFUFX-PBHICJAKSA-N 287.403 3.625 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2csc3ccccc23)C1 612240678 TXUHPVAKORJBAP-MRXNPFEDSA-N 284.384 3.667 30 20 CHED CC(C)c1scnc1N=C(O)[C@@H]1CCO[C@H]1C(C)C 329629891 WDLSQXPCERLYEA-MNOVXSKESA-N 282.409 3.916 30 20 CHED CCN(Cc1cccc(F)c1Br)C[C@@H](C)C#N 130917609 DTZKQFFKRVZXAS-JTQLQIEISA-N 299.187 3.570 30 20 CHED Cc1nc(CC/N=C(/O)[C@H]2CCc3ccccc32)c(C)o1 329015196 JTNWSIZEQFLOID-HNNXBMFYSA-N 284.359 3.520 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 424725336 GVFCFMIIVFIMRZ-GFCCVEGCSA-N 299.374 3.516 30 20 CHED C[C@H]1CC(=O)CC[C@H]1C(O)=Nc1cnc2c(c1)CCCC2 329452948 MKBSUXSATPDBNT-XHDPSFHLSA-N 286.375 3.554 30 20 CHED C#Cc1cccc(NC2=NN=C(CCC=C)CS2)c1 134438455 HNTLXSSXVSRAEG-UHFFFAOYSA-N 269.373 3.505 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(OC(C)C)cc1C 515744688 XURSBHQSIYOLKM-UHFFFAOYSA-N 289.379 3.550 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H](CC(F)(F)F)C1 420844487 ALZOSGLPXKYWNH-RYUDHWBXSA-N 292.345 3.715 30 20 CHED CC(C)(C)CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191906 MIRIUWNKYQDCRQ-UHFFFAOYSA-N 284.281 3.952 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)[C@@H]1CC1(C)C 426547676 GICQUKIMIIKUTH-MRXNPFEDSA-N 272.392 3.599 30 20 CHED C=C1CCN(C(=O)CSc2ccc(C)cc2C)CC1 518181884 RTFYLHPKWYRTEM-UHFFFAOYSA-N 275.417 3.574 30 20 CHED Cc1cc(NC(=O)NCC2(C#N)CCC2)c(Cl)cc1F 335654754 QXSYZQKZNFKMRK-UHFFFAOYSA-N 295.745 3.603 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)CC1(C)CC1 515184566 ZBSKYKCOJXPCTH-UHFFFAOYSA-N 256.393 3.816 30 20 CHED CC[C@@H]1CCCN1/C(O)=N/[C@H](CCC#N)c1ccccc1 331251489 PFPRBLUCAZNQEY-HZPDHXFCSA-N 285.391 3.820 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn(C2CCCC2)c1C 192709781 BXDUNNHQVBEXCS-MRXNPFEDSA-N 275.396 3.847 30 20 CHED O=C(/C=C/c1nc(-c2ccccc2)c[nH]1)c1cccc(O)c1 193125330 ASGZKUMYWMTGCX-MDZDMXLPSA-N 290.322 3.678 30 20 CHED Cc1ccc(-c2nc(NC(=O)[C@H](C)C#N)sc2C)s1 335909325 XFZMNDWBHGXXGL-SSDOTTSWSA-N 291.401 3.587 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2nccs2)C1 339030161 TVEVDUITUNYXDX-YUELXQCFSA-N 283.400 3.514 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(Cl)c2ncccc12 338124129 LEIIKDVMSQNLLY-SNVBAGLBSA-N 274.751 3.583 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(Cl)cc1OC 421853102 IMQKTVXIMIXHGL-GLQYFDAESA-N 295.810 3.733 30 20 CHED CC(C)CCC1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 425604684 BOUNVYYBVYEXGC-JKSUJKDBSA-N 291.439 3.536 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](C(=N)O)c2ccccc21 332708465 ODJKLAOHOPYHHN-SUMWQHHRSA-N 286.375 3.644 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@@H]1CC[C@H](C#N)C1)CC3 333466533 HOPHZRCKIBFZPV-ZNMIVQPWSA-N 293.414 3.616 30 20 CHED C=CC[C@@H]1N(Cc2ncnn2C(C)(C)C)CCCC1(C)C 338362766 MVLFZEJPMVPBDV-AWEZNQCLSA-N 290.455 3.600 30 20 CHED CSc1ccc(N(C)C(=O)c2ccc(C#N)cc2)cc1 334249168 YQTFCYRTDCQENM-UHFFFAOYSA-N 282.368 3.557 30 20 CHED CC(C)[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 513341138 RAEFGKHQAXFYGM-SFHVURJKSA-N 298.430 3.776 30 20 CHED N#CCc1cccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 333225708 XCSWFTVURIGPIF-ZMSDIMECSA-N 297.402 3.843 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(OCC)c(Cl)c1 513616520 CJOYXDILVVASGP-UHFFFAOYSA-N 295.810 3.957 30 20 CHED CO[C@]1(C)CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 230264494 TXMCFFZKUJJXJZ-CQSZACIVSA-N 298.308 3.582 30 20 CHED CSc1ccc(C)c(N/C(O)=N/C[C@]2(C)CCCO2)c1 330699120 XMKKYDIEWUNWHL-HNNXBMFYSA-N 294.420 3.612 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 245736701 DFUHWTROIUHVRD-ZIAGYGMSSA-N 298.390 3.588 30 20 CHED CCS[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 344726221 QREPDHKZHHDWSM-CABCVRRESA-N 292.423 3.851 30 20 CHED CC(C)c1cccnc1NCc1cccc(C#N)c1 342021363 RXBXBJVCOAARBZ-UHFFFAOYSA-N 251.333 3.689 30 20 CHED CC(C)(C)OC(=O)CCCNc1cc(Cl)ccc1C#N 342014111 RITFUHGGBRDKPN-UHFFFAOYSA-N 294.782 3.745 30 20 CHED CCN(CC)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 248844817 ODIYMQIWIVEITD-BHIYHBOVSA-N 299.462 3.741 30 20 CHED CC#CCN(C)C(=O)c1ccc2c(c1)oc1ccccc12 341021941 NGBRHWBYZOZYQW-UHFFFAOYSA-N 277.323 3.681 30 20 CHED C=CCC[C@@H](NCCCN1CCCC[C@H]1C)C1CC1 439084508 LBCCTKVNHJGLLQ-NVXWUHKLSA-N 264.457 3.585 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[C@H](F)C1 348323170 JLFMLYHKKRWJKY-UXLLHSPISA-N 272.367 3.806 30 20 CHED CN(C(=O)c1cc2ccccc2n1CC#N)C1CCCCC1 609161900 QXZRDFUXGAAUJS-UHFFFAOYSA-N 295.386 3.570 30 20 CHED COc1cc([C@H](C)Nc2ccc(C#N)c(Cl)c2)ccn1 340946125 ZHWLPHQZWZQADV-JTQLQIEISA-N 287.750 3.788 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)Cc2cc(F)ccc21 254974751 NSSLBYNKFARXKW-SDQBBNPISA-N 283.258 3.556 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1ccc(C(C)(C)C)cc1 255379862 IPFPLPDPNHCPIO-FLIBITNWSA-N 282.387 3.922 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cccc(C(F)F)c1 345914110 SQDGXSUFWRMDAT-UHFFFAOYSA-N 280.318 3.684 30 20 CHED COc1cccc(Cl)c1NC(=O)CCCCCC#N 602423637 HEQRECVAMLVDNY-UHFFFAOYSA-N 280.755 3.761 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1cc(C#N)cc(C)n1 342937759 ITNOYURXCRSGDY-PXAZEXFGSA-N 299.349 3.589 30 20 CHED Cc1cc([C@H](C)NC(=O)CCc2ccc(C#N)cc2)c(C)o1 346460320 JMISWTOKVCHOOP-ZDUSSCGKSA-N 296.370 3.578 30 20 CHED CCC(C#N)(CC)c1nc(Cc2c(F)cccc2F)no1 528091268 DOXWEWFVBWUBFS-UHFFFAOYSA-N 291.301 3.520 30 20 CHED Cc1cc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cs1 603147767 ANZYFUMFGBHWHF-HNNXBMFYSA-N 297.383 3.737 30 20 CHED Cc1cccc([C@@H](O)C/N=C\c2cc(Cl)ccc2O)c1 255513216 YLTNUESTKJUHMG-RSFAQHHSSA-N 289.762 3.507 30 20 CHED CCN(C(=O)Nc1cc(F)cc(C#N)c1)[C@H](C)C(C)C 603081296 OJJHVBJZHBVMGP-LLVKDONJSA-N 277.343 3.596 30 20 CHED CCCN(CC(C)C)C(=O)CSc1ccc(C#N)cc1 343188043 OJHNNEVMWMYVHH-UHFFFAOYSA-N 290.432 3.545 30 20 CHED C=CCN(CCOCC1CC1)Cc1ccc(Cl)s1 607725524 CLKGQSKEIAOBJA-UHFFFAOYSA-N 285.840 3.816 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@@H](CC)CC1 350789778 GDEYUONXNLBKJM-CQSZACIVSA-N 288.439 3.748 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2sccc2C)no1 354069481 FTDYKKDBQVUTLI-JTQLQIEISA-N 264.350 3.760 30 20 CHED C=C(CC)CN[C@H](c1ccccc1)c1nccs1 358610091 FDMPBVPQWGAFAP-CQSZACIVSA-N 258.390 3.788 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCC1CCC(C)(C)CC1 602577833 CPCOAAXQOFFUEH-OAHLLOKOSA-N 292.467 3.891 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1csc([C@H](C)OC)n1 269049246 IBRVYCUHWCUSGB-TUAOUCFPSA-N 268.426 3.541 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2ccncc2)cc1 351958476 KWSLIIZXKVRIDR-QGZVFWFLSA-N 295.342 3.752 30 20 CHED COc1ccc(CNc2cccc(CC#N)c2)c(C)c1OC 449692409 BCARWYZLQWJMPO-UHFFFAOYSA-N 296.370 3.690 30 20 CHED Cc1cc(COc2ccc(CC[C@@H](C)O)cc2)ccc1C#N 447327141 WBRNWWZPVWLKHL-OAHLLOKOSA-N 295.382 3.759 30 20 CHED CCCCOc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442859047 UOURCZZPEQKXHU-ZFWWWQNUSA-N 258.365 3.970 30 20 CHED CCCCCN(CC#N)Cc1ccc(Cl)cc1 532726678 IVNCRGXUVMBBPJ-UHFFFAOYSA-N 250.773 3.856 30 20 CHED C=CC[C@@H]1N(Cc2ncccc2C)CCCC1(C)C 444775013 LKLJJWVMBKRIMH-INIZCTEOSA-N 258.409 3.957 30 20 CHED N#CC1(CSc2cccc(Br)c2)CC1 260653530 FOSGGHMYVIAHHO-UHFFFAOYSA-N 268.179 3.845 30 20 CHED Cc1cc(=O)c2sccc2n1CCCC(C)(C)C#N 356111805 OKMDVPBHHBTQBZ-UHFFFAOYSA-N 274.389 3.701 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(F)ccc2ccncc12 613273094 RCARPBMEJYQCPB-GFCCVEGCSA-N 286.350 3.849 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2ccccc2n1CC#N 611433558 NMRHOKXFGOBNIY-CQSZACIVSA-N 295.386 3.639 30 20 CHED C[C@@H](c1noc(-c2cc(C#N)cs2)n1)C(C)(C)C 356878945 JYIWOCSDSYFCKC-QMMMGPOBSA-N 261.350 3.819 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCSc2ccc(F)cc21 618887929 JDQOKOJQAZYHQZ-RISCZKNCSA-N 278.396 3.892 30 20 CHED CN(Cc1ccco1)c1c(C#N)cnc2c(F)ccc(F)c12 610246554 KGVRRERDKBAOMC-UHFFFAOYSA-N 299.280 3.614 30 20 CHED CCC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccn1 453382921 LZEIMYYCEBPMPH-MRXNPFEDSA-N 283.350 3.723 30 20 CHED Cc1cc(Oc2ccccc2)ccc1NC(=O)CC#N 613945299 SQFZMQMWVZSHMJ-UHFFFAOYSA-N 266.300 3.640 30 20 CHED C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F 618571861 GDCCPFGAONQANF-NQBHXWOUSA-N 264.319 3.698 30 20 CHED N#CC1(c2nc(Cc3ccc(F)cc3)no2)CCCCC1 267036860 BXFBEFRUTUCHHL-UHFFFAOYSA-N 285.322 3.525 30 20 CHED CC[C@@H](C)CCCCC(=O)N(CCC#N)CC1CC1 612281352 HVVPTPTXCBZZBN-CQSZACIVSA-N 264.413 3.745 30 20 CHED CCC[C@@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 610972218 SWIFEITXDZXMJN-UKRRQHHQSA-N 273.380 3.519 30 20 CHED CCCC[C@H](COC)NCc1ccc(C#N)c(Cl)c1 619755090 SSWBOOVXDDTASH-CQSZACIVSA-N 280.799 3.506 30 20 CHED CC(C)OCc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 613255054 AKRTXOHSYPNYPU-QAPCUYQASA-N 286.419 3.784 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@](C)(C#N)C1 612121431 ZZLRBFMBZKNTHH-HLLBOEOZSA-N 291.439 3.681 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 276380802 LONKWALSXGGBEW-WDEREUQCSA-N 281.758 3.617 30 20 CHED CC[C@H]1CCc2ccccc2N1C(=O)CC(C)(C)C#N 279029586 PJSDPDVCCSMDPT-AWEZNQCLSA-N 270.376 3.684 30 20 CHED C=CCCc1noc(-c2ccc(N3CCCC3)c(F)c2)n1 453245757 IHXOINRZSFWAEZ-UHFFFAOYSA-N 287.338 3.595 30 20 CHED C=C(C)CCNC(=O)C(C)(C)c1ccc(Cl)cc1F 452719969 VCTFGDWXMVUJKD-UHFFFAOYSA-N 283.774 3.839 30 20 CHED C[C@@]1(C#N)CCCN(CCCc2ccc(Cl)cc2)C1 612167165 VGMSNRUNDQJLKT-INIZCTEOSA-N 276.811 3.898 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 614374533 YZBVESODTNEVMP-IRXDYDNUSA-N 287.403 3.521 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](C)c1ccccc1SC 454917515 ZAMPAJHWWNXMQK-GFCCVEGCSA-N 292.448 3.981 30 20 CHED C[C@@H]1C[C@]1(NCC1(C#N)CCC1)c1ccc(Cl)cc1 450929266 UCJPVQIWNATEBG-MLGOLLRUSA-N 274.795 3.859 30 20 CHED Cc1ccc(CS(=O)(=O)CCCCC(C)(C)C#N)cc1 277870207 MJUHEMGFQMDFHC-UHFFFAOYSA-N 293.432 3.630 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(Cl)cc(F)c1F 455382973 JXTNMHCVPFWTHH-UHFFFAOYSA-N 288.725 3.952 30 20 CHED C=CCCc1noc(C2(c3ccccc3C)CC2)n1 453239043 RIYAEHXGOKJKOQ-UHFFFAOYSA-N 254.333 3.577 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)CCC=C(C)C 459000977 ZZURNACVXCGJNO-AWEZNQCLSA-N 252.402 3.729 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(OC(F)F)c1 454451955 JQYHWCTZMXGOAC-UHFFFAOYSA-N 284.306 3.622 30 20 CHED C[C@H]1Cc2ncn(Cc3ccc(Cl)cc3C#N)c2C[C@H]1C 451002713 RTJZQTLTFHUVPX-NWDGAFQWSA-N 299.805 3.827 30 20 CHED C=CCCO[C@H](C)c1nc(COc2ccccc2C)no1 273838546 MPNJWMYJTGAKQC-CYBMUJFWSA-N 288.347 3.611 30 20 CHED CC[C@@H](CN1CCC(CC#N)CC1)c1ccccc1 541922628 JLDGQJFRMJQJKD-INIZCTEOSA-N 256.393 3.806 30 20 CHED C[C@@H](C(=O)NC1CCC(C)(C)CC1)c1cccc(C#N)c1 462151434 ODRKTUGGBHYZMF-CYBMUJFWSA-N 284.403 3.747 30 20 CHED CC#CCCCC(=O)NC1(c2ccc(Cl)cc2)CC1 466443932 OLWTYNVIUPXRTA-UHFFFAOYSA-N 275.779 3.639 30 20 CHED C=CCN(c1nnc([C@H](C)CC)n1CC(C)C)C1CC1 460847117 ODBNOKGHWWJOMM-CYBMUJFWSA-N 276.428 3.602 30 20 CHED C=C(C)Cn1c(N(C)[C@H](C)C2CCC2)nnc1C(C)(C)C 460767177 FDDUNUDKGMSPMP-CYBMUJFWSA-N 290.455 3.777 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C(=O)OC)c1cccc(Cl)c1 540618958 XIYAEONSKQPXSB-IUODEOHRSA-N 295.810 3.889 30 20 CHED C#CCC1(C(=O)Nc2ccc(NC(C)=O)cc2)CCCCC1 276342840 QKPJMBMOOVHDEJ-UHFFFAOYSA-N 298.386 3.557 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 466328061 QIIFGUSPTYDXSM-XQLPTFJDSA-N 264.413 3.561 30 20 CHED C=C[C@@H](CC(=O)N1CCc2ncc(C)cc21)c1ccccc1 623236188 RNBGYQIFPMFELT-HNNXBMFYSA-N 292.382 3.639 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ccccc1SC 281724074 FITGLAATDUKBLM-GFCCVEGCSA-N 263.406 3.942 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)CCCC 460653950 BKYFFMBDQJACCT-UONOGXRCSA-N 254.418 3.951 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 465281829 AIENSSVMHRSYKD-HIFRSBDPSA-N 274.408 3.956 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-c2csc(C)n2)cc1 282559353 ZZZAVXWGYSZOAH-LLVKDONJSA-N 286.400 3.813 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccc(C#N)cc1 280805579 LIILDXDEENOMPL-KURKYZTESA-N 284.403 3.580 30 20 CHED C=CCC(CC=C)C(=O)N(CCCC)CC(F)(F)F 467814265 UYUJWDOCXWIZKX-UHFFFAOYSA-N 277.330 3.946 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cn(C(C)C)cn1 282178349 DBRBXCNEYQIUAP-UHFFFAOYSA-N 297.402 3.683 30 20 CHED C#CCC(C)(C)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 282152125 WYXOKCSRNSOERI-QZTJIDSGSA-N 293.410 3.883 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(Cl)s1 467427140 JHIVANPRIFBUBW-CYBMUJFWSA-N 271.813 3.962 30 20 CHED C=CCN(CC1CCCCC1)c1nnc(C2CC2)n1CC 460291232 XARUFJKBOPPCGZ-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C#CC[C@H](NC(=O)c1nc(C(C)C)oc1C)c1ccccc1 285779306 NWNGUUYUBZNYEH-HNNXBMFYSA-N 296.370 3.601 30 20 CHED CCCOc1cccc(-c2noc([C@@](C)(C#N)CC)n2)c1 288978812 RBKKLDHHIFYNGZ-MRXNPFEDSA-N 285.347 3.717 30 20 CHED C=C[C@@](C)(CC)c1nc([C@@H]2CCC(F)(F)C2)no1 289081592 JQHIKCJXXUFQPC-SKDRFNHKSA-N 256.296 3.826 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(N(C)c2ccccc2)nc1 280625905 BZVATULDEQJXIB-HNNXBMFYSA-N 294.402 3.583 30 20 CHED C=C[C@H](CC(=O)N[C@H](C1CC1)C(F)(F)F)c1ccccc1 288705324 XEMYDILZQIAKMQ-IAQYHMDHSA-N 297.320 3.803 30 20 CHED CCc1cnccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 280291262 XCUAKYNFMQDLBB-UHFFFAOYSA-N 293.370 3.697 30 20 CHED COc1cc(F)cc(NC2CC(C#N)(c3ccccc3)C2)c1 389026901 NKQVXPREKMDMSK-UHFFFAOYSA-N 296.345 3.870 30 20 CHED C[C@H]1CC(CCNc2nc(Cl)c(C#N)s2)C[C@H](C)O1 804697491 IAYDLFHIMVXVIM-IUCAKERBSA-N 299.827 3.674 30 20 CHED Cc1ccc(COC(=O)CCCCCC#N)c(C)c1 805918774 BQLVKLSHAMOYBB-UHFFFAOYSA-N 259.349 3.821 30 20 CHED C=C(C)Cn1c(N2CCC(CC)CC2)nnc1C(C)(C)C 555267920 FLIPJYBTJSCGDR-UHFFFAOYSA-N 290.455 3.778 30 20 CHED C=C(C)[C@@H](NC(=O)NCCC(C)C)c1ccc(F)c(F)c1 477735694 BNTLUJKSYAYXGV-OAHLLOKOSA-N 296.361 3.927 30 20 CHED C=CCOCCCN1CC[C@@H](Cc2ccccc2)[C@@H]1C 470779810 CRZPKFMBKHNOGG-WMZOPIPTSA-N 273.420 3.532 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C2\CC[C@H](C)C2)cc1 804139147 DELYHKCIFRALKO-AOHITCTBSA-N 285.387 3.614 30 20 CHED C=CCC[C@@H](NC1C[C@@H]2CC[C@H](C1)N2C)c1ccco1 296575199 TXSBMHMOWLFYAA-WTXIUTQJSA-N 274.408 3.502 30 20 CHED COC[C@H](/N=C/c1ccccc1O)c1cccc(Cl)c1 809144102 CWWWXDVAKQYNCU-ZNBBLSJYSA-N 289.762 3.852 30 20 CHED COc1cc(N[C@@H]2CCC[C@@H](C#N)C2)cc(OC)c1C 293989693 BXCFLTCMIJTMMH-CHWSQXEVSA-N 274.364 3.507 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCC(F)(F)C1 805221868 WRCYTAUIXIFSLD-LBPRGKRZSA-N 259.340 3.675 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(CC)CCO[C@H](C)C#N 801924542 WSMUXLJLOAOPSU-SJLPKXTDSA-N 288.435 3.567 30 20 CHED O=C(/C=C/c1cnccn1)c1ccc(-c2ccccc2)o1 809158984 ZKEYRXIGNYKLBI-VOTSOKGWSA-N 276.295 3.633 30 20 CHED COc1ccc(NN=C(CCC(C)C)C2CC2)nc1 802711731 AMMYCEYJZLFGQQ-UHFFFAOYSA-N 261.369 3.704 30 20 CHED Cc1c(C#N)c(S[C@@H](C)CCC#N)nc2c1CCC2 298208610 GLJSKEKZSNIQIE-JTQLQIEISA-N 271.389 3.535 30 20 CHED N#CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 291710892 OOAWBBLJIFWKIG-MRXNPFEDSA-N 290.794 3.991 30 20 CHED C=CCCCCCCCCNC(=O)c1cc(C)on1 805278371 YSFPWCSXBGVGIQ-UHFFFAOYSA-N 264.369 3.630 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 297845990 NMVSVAOGPQDPQV-DTWKUNHWSA-N 262.378 3.654 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](C)c1cnccc1C 807065812 OXLIVQGRTGWSRV-HNNXBMFYSA-N 289.423 3.887 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cccnc1Cl 806176187 JAMWIYNLGXBKEA-LLVKDONJSA-N 265.788 3.716 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc([N+](=O)[O-])ccc1CC 565275373 IEKAVAUNRLMILF-GFCCVEGCSA-N 291.351 3.633 30 20 CHED C=CC(C)(C)C(=O)N1CCC(=Cc2cccc(OC)c2)CC1 294796223 AZKKMMOYEQFURP-UHFFFAOYSA-N 299.414 3.913 30 20 CHED N#C[C@@]1(C(=O)Oc2cccc3ncccc23)CC12CCCC2 298402946 TVVCYAAACKSRSH-GOSISDBHSA-N 292.338 3.614 30 20 CHED CCCCCCCOC(=O)c1ccc2oc(O)nc2c1 805654328 RNJPOWUJTVZHNF-UHFFFAOYSA-N 277.320 3.661 30 20 CHED N#Cc1ncccc1N1CCC(=Cc2ccccc2F)CC1 569417487 OGOGMDPSJYPHOL-UHFFFAOYSA-N 293.345 3.776 30 20 CHED CCN(CCCC(C)(C)C#N)c1cccc(OC)c1 472438407 PJELILPMPGUJOP-UHFFFAOYSA-N 260.381 3.851 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2cnn(C(C)C)c2c1 806244116 XAISUORXCSLPPU-CQSZACIVSA-N 298.390 3.541 30 20 CHED CCCCc1ccc(N(C)C(=O)c2cnccc2C#N)cc1 808481050 GBZLPJVMFDESQZ-UHFFFAOYSA-N 293.370 3.572 30 20 CHED C=CCCCCNC(=O)c1cc2ccc(OCC)cc2[nH]1 472705769 GQPCTHXPXFKALP-UHFFFAOYSA-N 286.375 3.653 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)[C@@]1(C#N)CC12CCCC2 294287301 UWPRFZVADJSVHN-BEFAXECRSA-N 296.414 3.598 30 20 CHED N#CCCNc1ccc(OC2CCCC2)c(Cl)c1 819423946 QFCWERQHPRZDIF-UHFFFAOYSA-N 264.756 3.987 30 20 CHED C=CC[C@H](NC(=O)N(CC)CC(C)(C)C)c1ccncc1 813071367 AMKCDVPZWAZNPN-HNNXBMFYSA-N 289.423 3.776 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CCNC2(CCC2)C1 817985323 IYTISYMRUIAFJR-CVEARBPZSA-N 264.457 3.776 30 20 CHED CCC(CC)NN=C1CC(c2cc(F)cc(F)c2)C1 814851394 MKDNHVQYTQQJJY-UHFFFAOYSA-N 266.335 3.976 30 20 CHED C=CCCCC(=O)N[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 480024236 ZEOBKGVYYJQPIJ-SJLPKXTDSA-N 287.403 3.688 30 20 CHED Cc1nc(NC(=O)CCCC#N)sc1-c1ccccc1 812461997 MJNRTCSDMMCOQY-UHFFFAOYSA-N 285.372 3.751 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)N=c1ccc(C#N)c[nH]1 488215099 HFQUKVCXQMZNRG-QGZVFWFLSA-N 279.387 3.883 30 20 CHED Cc1cc(OC(=O)[C@H]2CCCSC2)c(C)c(C)c1C#N 813250788 SIXBURIPEGWHRY-ZDUSSCGKSA-N 289.400 3.532 30 20 CHED Cc1cc(CN(C)c2ccccc2N(C)C)ccc1C#N 488111917 YIDBGWGUFWCUIE-UHFFFAOYSA-N 279.387 3.569 30 20 CHED CC1CC(C#N)(C(=O)N2C[C@H](C(C)C)c3ccccc32)C1 562488167 GEOJDNYEOZNMBY-NSWWBONSSA-N 282.387 3.713 30 20 CHED C[C@@]1(Cc2ccccc2)CCCN1Cc1ccc(C#N)cn1 565432024 XJXSVDURPAQKQO-IBGZPJMESA-N 291.398 3.550 30 20 CHED CCC(Cc1cccs1)=NN[C@H](C)c1ccncc1 819815655 TUPFZEIUIREKQJ-GFCCVEGCSA-N 273.405 3.802 30 20 CHED C=CCC1(NCc2ccc(N(C)CC)nc2)CCCC1 657702653 MRUQIWRCPLYNQR-UHFFFAOYSA-N 273.424 3.516 30 20 CHED CC(C)[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 486637186 OQDOEPZLHASZOA-HNNXBMFYSA-N 284.384 3.747 30 20 CHED C=CCCCC(=O)O[C@@H]1CCOc2cccc(C)c21 814032758 QQQACOSZLHQCHT-CQSZACIVSA-N 260.333 3.718 30 20 CHED C=C(C)COc1cccc(NC(=O)NC[C@@H]2CC23CC3)c1 579690909 OZPYQSXDVSWNRW-ZDUSSCGKSA-N 286.375 3.563 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1C[C@H]2CCC[C@H](C1)C2 488877371 IHWXAKNYLCWDTD-OFQRWUPVSA-N 261.409 3.770 30 20 CHED CCCOc1ccc2c(c1)C(=NOC1CCC1)CCO2 812238423 UKGAHBSFMGALKE-UHFFFAOYSA-N 275.348 3.531 30 20 CHED FC(F)(F)c1cccc(NN=C2CCn3cccc32)c1 818200753 AZCJFZOVAVDMDP-UHFFFAOYSA-N 279.265 3.727 30 20 CHED C=CCC(F)(F)C(=O)NC1(C(F)(F)F)CCCCC1 815577053 FTYRQZRUXHDYRQ-UHFFFAOYSA-N 285.256 3.579 30 20 CHED Cc1csc(NC(=O)CC2CCCCC2)c1C#N 576071495 ZJHCFFTUBZEFFF-UHFFFAOYSA-N 262.378 3.837 30 20 CHED C[C@H]1CCC(=NNc2ncnc3c2oc2ccccc23)C1 814774347 WFYONSAKUWGWIQ-JTQLQIEISA-N 280.331 3.964 30 20 CHED C=CCCCCN[C@H](C)c1nc(-c2cccc(F)c2)no1 577571553 GHRFTHDTGXRZML-GFCCVEGCSA-N 289.354 3.883 30 20 CHED C[C@@H]1SCCC1=NNc1ccc(C(F)(F)F)cc1 814882496 QLFZJQUFEQCUIC-QMMMGPOBSA-N 274.311 3.999 30 20 CHED CC1(C)CC[C@H]1Nc1ccc2cc(C#N)ccc2n1 579866694 BNFRRVOQAAZJLP-CQSZACIVSA-N 251.333 3.707 30 20 CHED CCOc1cccc(/C=N\CCSC(C)(C)C)c1O 727265806 ZYZGTGUDQLLZHC-WJDWOHSUSA-N 281.421 3.742 30 20 CHED N#Cc1[nH]c(=NC[C@@H]2CCCCC(F)(F)C2)ccc1Cl 488486450 XRQGJJBESQYKCS-SNVBAGLBSA-N 299.752 3.656 30 20 CHED C[C@@H]1CCC[C@H]1/N=C\c1cc(Br)ccc1O 729641860 ZWRUUQLCCDEDGY-YWQYZOJLSA-N 282.181 3.762 30 20 CHED Cc1ccc(CN(Cc2ccc(F)cc2C#N)C2CC2)o1 728569637 PYCIFQQVYJEJOL-UHFFFAOYSA-N 284.334 3.763 30 20 CHED Cc1cccc(OCCON=Cc2cccc(F)c2)c1 824222900 QFPOCRVNKBQYMA-UHFFFAOYSA-N 273.307 3.564 30 20 CHED Cc1ccncc1/C=C/C(=O)Nc1sc(C)c(C)c1C#N 492506280 UYNDXGGBLWCXPO-SNAWJCMRSA-N 297.383 3.592 30 20 CHED C=C(C)CCc1noc(-c2cccnc2OCC(C)C)n1 573762381 FECIKVBDXBTCRU-UHFFFAOYSA-N 287.363 3.675 30 20 CHED C#CCN(CC)C(=O)c1c(Cl)cc(Cl)cc1Cl 822739068 MOQWWPSXAWHANA-UHFFFAOYSA-N 290.577 3.742 30 20 CHED N#Cc1ccsc1C(=O)NC[C@@H](c1ccccc1)C1CC1 574349719 VWFXRTNVOPXEGO-HNNXBMFYSA-N 296.395 3.543 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1nc2ccccc2s1 825850949 PHGMMYYQZWPGPH-JTQLQIEISA-N 274.389 3.686 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1CCc2c(C)cccc21 729641354 GHRIKYJTNOIKAE-ZVCOJXFSSA-N 281.355 3.816 30 20 CHED C=CC[C@H](CC)NC[C@@H](O)COc1ccc2ccccc2c1 584834924 JMWJHKHYCSGGRN-ZWKOTPCHSA-N 299.414 3.524 30 20 CHED N#Cc1ccc(CNCCCCCCCN2CCCC2)cc1 729682366 TXEWOHXWKGOCCY-UHFFFAOYSA-N 299.462 3.694 30 20 CHED CCCCC[C@@H](/N=C\c1c(O)ccc2ccccc12)C(=O)O 829312674 YMXHZIQADLPHOG-BKAYVGFPSA-N 299.370 3.998 30 20 CHED Cc1ccc(-c2noc(CCCCCC#N)n2)cc1F 588320760 YSNCJTMYKKNLGD-UHFFFAOYSA-N 273.311 3.811 30 20 CHED CC(C)(C)CCCN1CCO[C@@H](c2cccc(C#N)c2)C1 499593632 RRGLBQHKMSKYNQ-QGZVFWFLSA-N 286.419 3.758 30 20 CHED C=CCn1cccc1C(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 490034068 QRKCORNOJVBGSO-UONOGXRCSA-N 274.408 3.713 30 20 CHED COc1ncccc1-c1cccc(CC(C)(C)C#N)c1 906543803 BFPNXTQJIDFXOU-UHFFFAOYSA-N 266.344 3.849 30 20 CHED C#CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 730980419 KALJRYBDQPUXHF-UHFFFAOYSA-N 299.757 3.533 30 20 CHED CC#CCCNC(=O)c1ccccc1Nc1ccccc1 498602817 MAONGGUVPRNUOX-UHFFFAOYSA-N 278.355 3.573 30 20 CHED C[C@@H](CCCC(F)(F)F)N=c1ccc(Cl)c(C#N)[nH]1 493705283 IZXJBRHXEGKXHB-QMMMGPOBSA-N 291.704 3.562 30 20 CHED CC(C)n1cncc1/C=C1/C(=O)c2ccccc2[C@H]1C 901506408 LWVVPRMVXQBKPK-GGNJANJASA-N 266.344 3.847 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ncccc2C#N)c(C)c1 498848936 GLUCUFLGNRPHSY-CQSZACIVSA-N 265.360 3.768 30 20 CHED Cc1[nH]c(C#N)cc1-c1nc(-c2ccccc2Cl)no1 904567505 JDXQZEIJYDBLTC-UHFFFAOYSA-N 284.706 3.565 30 20 CHED N#Cc1cnccc1NC(=O)c1cc2c(F)cccc2s1 730088410 DPSCWCZNTPDXQW-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CC1(C)OCC[C@H]1NN=Cc1ccccc1-c1ccccc1 835013991 LUUJDCIIKKPWKZ-GOSISDBHSA-N 294.398 3.845 30 20 CHED O=C(CCc1ccco1)N(O)Cc1cccc2ccccc12 901371367 UCFHVWIFMBBQIA-UHFFFAOYSA-N 295.338 3.783 30 20 CHED Cc1cc(-c2csc(CC#N)c2)ccc1O[C@@H]1CCOC1 904753877 MJFILYZXNLRSQT-OAHLLOKOSA-N 299.395 3.957 30 20 CHED C=CCC1(NC(=O)Nc2cccnc2F)CCCCC1 832032961 WTWYRZKXOGDWDM-UHFFFAOYSA-N 277.343 3.621 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)COc2ccc(F)cc21 731565225 IFMOQLDDSOCORD-BJMVGYQFSA-N 290.240 3.763 30 20 CHED N#Cc1ccc(OC(=O)/C=C\C2CCCCC2)cc1 735420361 PPTJUINPEUGRFV-FLIBITNWSA-N 255.317 3.600 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(F)cc1Cl 901320872 SEHBHGYATSYVCS-SNVBAGLBSA-N 270.735 3.694 30 20 CHED Cc1ncc2c(n1)CCC[C@H]2Nc1ccc(Cl)cc1C#N 734833049 QIFFHAJVDLMPMP-MRXNPFEDSA-N 298.777 3.800 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H]1CCSc2ccccc21 839039542 QLOPFMTWABULAG-JSGCOSHPSA-N 274.385 3.611 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)C1CCCCC1 582757319 HTQOCOXPWSHHQB-AWEZNQCLSA-N 287.403 3.950 30 20 CHED C#CC[C@@H](OC(=O)CCCCC(C)C)c1ccccn1 838797798 AAPNMUBRBNRYET-MRXNPFEDSA-N 273.376 3.906 30 20 CHED N#C[C@]1(C(=O)Oc2cc(Cl)ccc2F)CC12CCCC2 839288824 HETVJYJBWMXNTJ-HNNXBMFYSA-N 293.725 3.859 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCc2cc(F)ccc2F)C1 839049017 PPBNKLOPYQYBDU-RISCZKNCSA-N 293.313 3.523 30 20 CHED C=CCCCOC(=O)c1ccccc1OCC1CC1 735535420 WKQJLFUOZZGSQO-UHFFFAOYSA-N 260.333 3.598 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NNC1CCCC1 733204730 WOLASGULTYHPPI-UHFFFAOYSA-N 274.261 3.711 30 20 CHED C[C@H](C(=O)OCc1ccc(C#N)cc1Cl)C1CCC1 838389243 ROJRYONZKNBAAK-JTQLQIEISA-N 277.751 3.691 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 596822120 DFQWYCHWFSYCKY-BPQIPLTHSA-N 298.430 3.654 30 20 CHED COCc1ccc(C=NNc2cccc(Cl)c2)cc1 741756057 BOOWIUYKAMSEBD-UHFFFAOYSA-N 274.751 3.932 30 20 CHED Cc1ccsc1CNC(=O)CC1(C#N)CCCCC1 596934298 QSOCFWFCKJWKJF-UHFFFAOYSA-N 276.405 3.537 30 20 CHED C=C(Br)CN(C)[C@H](C)c1ccc(F)c(F)c1 919647732 LTZLNYJZINOBQO-SECBINFHSA-N 290.151 3.866 30 20 CHED C[C@@H](C#N)N(C(=O)CCCc1ccccc1Cl)C1CC1 598133955 CTZJZFDHFGKSGH-LBPRGKRZSA-N 290.794 3.566 30 20 CHED CCCC[C@@H](C(=O)N(C)c1cccc(C#N)c1)C(C)C 598811619 XRMRVDDBYAQCSD-MRXNPFEDSA-N 272.392 3.983 30 20 CHED N#CC1(CC(=O)OCCCC2CCOCC2)CCCCC1 849907100 SMZBWQKKILDBGC-UHFFFAOYSA-N 293.407 3.601 30 20 CHED CC[C@@H](C#N)OC(=O)c1csc(C2CCCCC2)n1 840663865 BRFUHQDWBQAOAR-NSHDSACASA-N 278.377 3.650 30 20 CHED C=CCOc1ccccc1CNc1ncnc2c1CCCC2 675632920 AJMRFSKYBUORMP-UHFFFAOYSA-N 295.386 3.532 30 20 CHED Cc1cccc2c1C/C(=C/c1cnc3c(C)cccn13)C2=O 741469064 ZWYHLSJAHMMTDU-ZROIWOOFSA-N 288.350 3.774 30 20 CHED Clc1ccccc1CNN=Cc1ccsc1 918153303 TUIZFOOMJLXBPU-UHFFFAOYSA-N 250.754 3.525 30 20 CHED C=CCCOCC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 674130111 FBYDGNSRCKLAFJ-QGZVFWFLSA-N 289.419 3.791 30 20 CHED CC(CCCCC#N)=NN[C@H]1CCc2c(F)cccc21 841639921 BCLQEGSGFYUVLZ-INIZCTEOSA-N 273.355 3.862 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C2CC2)cc1 678566074 GMGHGGAAQFPNOB-UHFFFAOYSA-N 258.365 3.994 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)N3CC(C#N)C3)c2)o1 590833357 ZFQAVRYBKTUTNI-UHFFFAOYSA-N 295.342 3.551 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1ccc(F)cc1)C2=O 742436604 CPMKIPZNAJFVIF-DHDCSXOGSA-N 277.298 3.910 30 20 CHED C=C[C@@H](C)ONC(=O)[C@@H](C)c1c(Cl)cccc1Cl 846548077 CYWLOCJSEFWZMV-BDAKNGLRSA-N 288.174 3.719 30 20 CHED C[C@@H](c1cccs1)N(C)c1nc(C#N)c(Cl)s1 596082071 FTJHVVLQOVHXQJ-ZETCQYMHSA-N 283.809 3.927 30 20 CHED C=CCNc1ncc(C(=O)N2[C@@H](C)CCC[C@H]2CC)s1 912716283 FQNHTDWPDWOASK-NWDGAFQWSA-N 293.436 3.534 30 20 CHED C=CCCC(=O)O[C@@H](C)c1nc(-c2ccccc2C)no1 746072400 PGFOUJYKTGPSIC-LBPRGKRZSA-N 286.331 3.615 30 20 CHED Cc1cc(NC(=O)N2CCC(C)(C#N)CC2)ccc1Cl 594202102 SOSCJDCBGBPUDX-UHFFFAOYSA-N 291.782 3.806 30 20 CHED N#CC1(CCOC(=O)COCC2CCCC2)CCCCC1 840583034 UJWUIDQZZQBAHA-UHFFFAOYSA-N 293.407 3.601 30 20 CHED N#CC[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 596320644 AKHBTHKBWUQYOV-GFCCVEGCSA-N 292.342 3.506 30 20 CHED CS[C@@H]1CCCC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 593717189 YYENUCHCHKDOPW-GVDBMIGSSA-N 286.444 3.809 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\CCC1CC1 743044240 HMMLFHSDCKEYKR-CHHVJCJISA-N 258.148 3.918 30 20 CHED CCCC[C@H](CC)C(=O)N(C)c1snc(C)c1C#N 748233539 CUUNAHQXKRZFRI-NSHDSACASA-N 279.409 3.502 30 20 CHED C/C(C=NOCc1cccnc1)=C\c1ccccc1 746586013 QCHHQJVSDOZORE-CKDOMMIBSA-N 252.317 3.688 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 748679173 HTTPNIDZRZUMJI-CYBMUJFWSA-N 265.312 3.785 30 20 CHED CCCN(Cc1ccc(OC)cc1)[C@@H](C)CCC#N 599617647 JLOTWOIUGGAHHI-AWEZNQCLSA-N 260.381 3.599 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 593407434 GJXVPQFYEBTSOD-WBMJQRKESA-N 288.366 3.723 30 20 CHED CC[C@H](OC(=O)c1cc(C#N)c[nH]1)c1ccc(Cl)cc1 748225184 CSXGCJOVMKJLKF-AWEZNQCLSA-N 288.734 3.848 30 20 CHED N#Cc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]32)cc1Cl 596640675 OPSKJKZNYPPTCC-FZMZJTMJSA-N 289.766 3.618 30 20 CHED N#Cc1ccc(CCNC(=O)CCCC2CCCC2)cc1 597893392 QOYSQGPEKWYUCT-UHFFFAOYSA-N 284.403 3.577 30 20 CHED C[C@H](OC(=O)CCc1ccc(F)cc1)c1ccc(C#N)cc1 748676643 BAOLCXYYYSOUNU-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED C=CCc1cc(C=NNc2cccc(C)c2)cc(OC)c1O 747039848 FFEQXGIMGLLGCY-UHFFFAOYSA-N 296.370 3.884 30 20 CHED N#Cc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1 593955097 XXLDFQMSKKQUBT-GOSISDBHSA-N 279.339 3.531 30 20 CHED Cc1ccoc1C=NNc1ccc(Br)cc1 743434631 WEDOYLCCKCLNLQ-UHFFFAOYSA-N 279.137 3.797 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1csc2ccccc12 921220496 YVHTUVVBDDEEND-LBPRGKRZSA-N 290.384 3.926 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H]1CCCC[C@H]1C 929907913 LCCMKMMOYHOBCZ-CJNGLKHVSA-N 270.376 3.517 30 20 CHED C#CCCCNC(=S)Nc1cccc(C(C)C)c1 743011685 QTFPTGNGYMJHFP-UHFFFAOYSA-N 260.406 3.510 30 20 CHED C#CCN(C(=O)Nc1ccc2oc(C3CC3)nc2c1)C(C)C 929567011 BUPSSVLTNCOWKZ-UHFFFAOYSA-N 297.358 3.581 30 20 CHED Cc1ccc(O)c(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 841894811 WAVJEIYJJDZICU-GOSISDBHSA-N 292.382 3.740 30 20 CHED CCCON=C1CCC(N(C)Cc2ccccc2)CC1 842552169 XXJNEZAQKFHUBJ-UHFFFAOYSA-N 274.408 3.844 30 20 CHED C[C@@H]1CC(CCOC(=O)C(C)(C)C#N)C[C@@H](C)C1 757056273 HXEMPDKIGGADJP-RYUDHWBXSA-N 251.370 3.542 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1cccs1 759070725 CJTUMRHVXRTNKW-ARJAWSKDSA-N 255.751 3.754 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 929932811 FEEZYNFHRQQDBJ-AWEZNQCLSA-N 282.387 3.652 30 20 CHED Fc1ccc(NN=Cc2csc(C3CC3)n2)cc1 920361294 KDWDYXZUEFBZNE-UHFFFAOYSA-N 261.325 3.606 30 20 CHED COCC(=NNc1cc(C)c2ccc(C)c(C)c2n1)C1CC1 754258266 JOFKZIVUHUAGHG-UHFFFAOYSA-N 297.402 3.984 30 20 CHED C=CC[C@@H](CC)NC(=O)N1Cc2ccccc2C(F)(F)C1 684929469 KKTOZJUOTYQMFM-CYBMUJFWSA-N 294.345 3.658 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc2ccccc2[nH]1 926341200 CSBSSXNYEHRXBK-XUWXXGDYSA-N 284.403 3.800 30 20 CHED CO[C@@](C)(C=NNc1cc(F)cc(Cl)c1)C1CC1 853396201 ZRNUDRIMKQIKIQ-ZDUSSCGKSA-N 270.735 3.692 30 20 CHED C=CC[C@@H](N[C@H](C)c1ccc(F)cc1O)c1ccncc1 756584356 SJIBOTMTJDRGHV-MLGOLLRUSA-N 286.350 3.894 30 20 CHED CC(C)(C)CC(=NNc1ncc(Cl)cn1)C1CC1 857220403 GKAAXRCHBVYPNQ-UHFFFAOYSA-N 266.776 3.744 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)c1ccccc1 757598965 LOSNTUQJDNVKIY-QFBILLFUSA-N 291.394 3.746 30 20 CHED COc1cccc(/C=N\Cc2ccc(Cl)cc2)c1O 920943641 ZRJVDBDWUDOOCK-YVLHZVERSA-N 275.735 3.673 30 20 CHED COc1cccc(/C=N/[C@@H](C)Cc2ccccc2F)c1O 920174128 YMCUKNAAHHELDV-MKFNJMOCSA-N 287.334 3.590 30 20 CHED C=CCN(C(=O)Cc1ccc(SCC)cc1)C(C)C 751888945 GDNKSRSIVLFWEB-UHFFFAOYSA-N 277.433 3.764 30 20 CHED C=C[C@H](OC(=O)[C@@H](CC(C)C)OC)c1ccccc1 851451704 KYIPIYHBSPWOSI-LSDHHAIUSA-N 262.349 3.518 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1ccccc1C)C(C)C 859190121 MCOUSEUKLLNXJW-OAHLLOKOSA-N 259.393 3.597 30 20 CHED CC(C)(C=NNc1ccc(Cl)c(C(=O)O)c1)CCC#N 755466979 KHUZBPZVSPINQF-UHFFFAOYSA-N 293.754 3.766 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cc2ccccc2[nH]1 926344675 MGVBIXQWBCIWJM-LBPRGKRZSA-N 253.349 3.512 30 20 CHED CC1(C)CCC[C@H](C=NNc2nc(-c3ccncc3)no2)C1 752728675 XGOFABQVIFPPBM-LBPRGKRZSA-N 299.378 3.746 30 20 CHED C#CCCCCNC(=O)CCc1ccc(-c2ccccc2)[nH]1 758639708 PCFNROLZKPAXGN-UHFFFAOYSA-N 294.398 3.534 30 20 CHED C(=NNc1ccccc1)c1coc(-c2ccccc2)n1 755462440 RAMSGTVYXZZEHQ-UHFFFAOYSA-N 263.300 3.788 30 20 CHED C=C1CN(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)C1 930114997 QRBNXESIKZSZCY-UHFFFAOYSA-N 283.375 3.701 30 20 CHED O=C(/C=C/c1cccc(-n2cccn2)c1)c1sccc1O 756623683 WDXOVMIUGIGQGV-AATRIKPKSA-N 296.351 3.536 30 20 CHED C#CCCCCNC(=O)c1cccc(Nc2ccccc2)c1 758631606 XCDASTDTXLNTKR-UHFFFAOYSA-N 292.382 3.964 30 20 CHED N#CCC1(CSCc2ccc3c(c2)COC3)CC1 853770409 DZECBWFSRWAQCB-UHFFFAOYSA-N 259.374 3.644 30 20 CHED CCC(=NO[C@H]1CCCCO1)c1ccc(Cl)cc1 755819467 AEBNCVRUFVKXHF-AWEZNQCLSA-N 267.756 3.997 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OCCCc1ccco1 861019863 OBOGLSZLPLTIRD-CQSZACIVSA-N 297.354 3.506 30 20 CHED CCCCCCCNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 862357822 IPARNPKASMDLAX-CVEARBPZSA-N 283.456 3.914 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(-c2ccccc2)n[nH]c1C 935447357 FKTVIVYQWCGOIV-CYBMUJFWSA-N 283.375 3.926 30 20 CHED C#CCC1(C(=O)N2Cc3cccc(OC)c3C2)CCCCC1 863278725 FHZXMWUVZDLPCR-UHFFFAOYSA-N 297.398 3.511 30 20 CHED C#CCCCON=C(C)c1nc2ccccc2n1C(F)F 766743689 OSXHGVKIOHOXPF-UHFFFAOYSA-N 291.301 3.585 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1cc(F)cc(F)c1 767098008 FJVKHWOPCNTLHF-NSHDSACASA-N 266.287 3.763 30 20 CHED C#CCCCN(C)Cc1ccc(N2CCCCC2)cc1 766895492 ODLZZVXAJSJGPL-UHFFFAOYSA-N 270.420 3.522 30 20 CHED CCCCCCCCCCN1CC[S@](=O)C[C@@H](C)C1 763874768 FFDJYCQSEOODBI-LPHOPBHVSA-N 287.513 3.828 30 20 CHED CC(C)CN(Cc1ccccn1)Cc1cccc(C#N)c1F 932449566 PMRIFLGKZMYRTB-UHFFFAOYSA-N 297.377 3.751 30 20 CHED CCCCCCCNC(=O)[C@H]1CC12CCSCC2 862355706 NQIRSNAPBXXEGQ-CYBMUJFWSA-N 269.454 3.606 30 20 CHED C[C@H](OC(=O)CCc1ccc(Cl)c(F)c1)C(C)(C)C#N 860623875 TVOYLWFSNLLODJ-JTQLQIEISA-N 297.757 3.893 30 20 CHED CCO[C@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)C(C)C 760591082 ZUTQBFYTCXQZBR-CZUORRHYSA-N 289.375 3.614 30 20 CHED CC(Cc1ccccc1Cl)=NNC[C@@H]1CCSC1 1117683739 FCLCVAUZQZAUFM-LBPRGKRZSA-N 282.840 3.601 30 20 CHED Cc1cc(NN=C2CCCOCC2)ccc1Br 770600852 CGKBAHPXXNSJEW-UHFFFAOYSA-N 297.196 3.726 30 20 CHED CC(C)(C)c1ncc(C=NNc2cc(Cl)ccn2)s1 777906848 IPJNQLHTMGBSIH-UHFFFAOYSA-N 294.811 3.935 30 20 CHED CCCCCCCN[C@H](C)c1cnc2cc(C)nn2c1C 776746853 IKXIFWIGVBJANR-CQSZACIVSA-N 288.439 3.967 30 20 CHED C#CC[C@H](Nc1nnc(C(F)(F)F)s1)c1ccccc1 775520834 YMMFGVOELWHLCH-JTQLQIEISA-N 297.305 3.733 30 20 CHED N#C[C@@H](OC(=O)c1cccc2[nH]ccc12)C1CCCCC1 776374791 TVXSNBMSOKQSNR-MRXNPFEDSA-N 282.343 3.797 30 20 CHED CCOCCON=C(CC)c1cccc(Cl)c1F 774438121 OYAROGRBGFPOLG-UHFFFAOYSA-N 273.735 3.646 30 20 CHED C#CCCCNC(=O)c1sc(C2CCCCC2)nc1C 775175633 DIDFNBMFLNGHJC-UHFFFAOYSA-N 290.432 3.642 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3cccc(F)c3F)ccc21 776268503 RIDLKCFPSHOGKN-VURMDHGXSA-N 299.320 3.853 30 20 CHED C#CCCCCC(=O)O[C@@H]1CCc2ccc(F)cc21 773788637 VRAVDLNRRJFGMY-OAHLLOKOSA-N 260.308 3.550 30 20 CHED C#CCCCNC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 770709261 TUPDKJQWPAAEDW-HNNXBMFYSA-N 284.403 3.759 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cccc(Br)c1O 775152508 NHZDXKUMDSEOTM-QWRGUYRKSA-N 298.224 3.845 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@@H](C)[C@H]1CC)c1ccccc1 773414624 MGDDWRXPZOXPTH-HYVNUMGLSA-N 284.403 3.581 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 776960233 CJDSKNCXCGJJFZ-ZDUSSCGKSA-N 275.396 3.613 30 20 CHED C#CCCN[C@@H](c1cc(F)cc(Br)c1)C1CC1 775870706 AXNUYOYSODWUNQ-CQSZACIVSA-N 296.183 3.652 30 20 CHED N#Cc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1F 770571654 GYBZVSULFRBVKP-LFYBBSHMSA-N 281.261 3.659 30 20 CHED C#CCCCCCC(=O)Nc1cccc(Cl)c1N(C)C 779842602 QICILKZOIFRSJK-UHFFFAOYSA-N 292.810 3.928 30 20 CHED CCC(CC)CNN=Cc1ccc(N2CCCCC2)o1 774474268 XXEKZPCUAQPCQS-UHFFFAOYSA-N 277.412 3.630 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1ccccc1)C(F)F 880110101 LZEBQLSNIHPVEU-CYBMUJFWSA-N 267.319 3.711 30 20 CHED C=CCC[C@@H](C)N[C@@H](Cn1ccnc1)c1ccccc1 883388450 VLVKYSUXKLAIFK-WBVHZDCISA-N 269.392 3.569 30 20 CHED C=CCc1ccc(OC(=O)c2cnc(C3CC3)o2)c(OC)c1 887701441 XOFQUGQABLPOIR-UHFFFAOYSA-N 299.326 3.508 30 20 CHED CCOc1ccc(/C=N\C[C@H](SC)C(C)(C)C)c(O)c1 783681391 FJBWJFLEBCSSKM-HAKPAVFJSA-N 295.448 3.988 30 20 CHED CCC(Cc1ccc(C)cc1)=NN[C@@H]1CCOC(C)(C)C1 780253362 SKWXUDVTWPXHSA-QGZVFWFLSA-N 288.435 3.851 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cc3cccc(Cl)c3o2)C1 1122720439 IJJZTGMCHLVLHB-MWLCHTKSSA-N 289.718 3.935 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)cs1 785862055 PYJFFHVYVQHMCV-SNVBAGLBSA-N 255.770 3.582 30 20 CHED CC[C@@H](CC(C)C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 410767852 OAEPTYLWNDZPKJ-KBPBESRZSA-N 264.413 3.599 30 20 CHED Cc1nsc(N(C)C(=O)C[C@@H]2CCCC[C@@H]2C)c1C#N 891432840 GUKQRVPQXPFTDH-JQWIXIFHSA-N 291.420 3.502 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2ccccn2)c(Cl)c1 891974568 QEDOELUICNUQTG-MRXNPFEDSA-N 283.762 3.948 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1ccc(Cl)cc1 785769284 PJNITRABMWKHJV-OAHLLOKOSA-N 280.751 3.668 30 20 CHED CC1(C)CC[C@H](C(=O)OCc2cccc(C#N)c2F)C1 781692850 AHTDVKFJIZDSTP-NSHDSACASA-N 275.323 3.567 30 20 CHED C=C1CC(c2noc(-c3ccc4nc(C)c(C)nc4c3)n2)C1 896889989 OJQRNSNBRZNVFB-UHFFFAOYSA-N 292.342 3.730 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 780012218 BDBFAULGHUPVOA-IDCNUPLLSA-N 283.415 3.940 30 20 CHED COc1ccc2c(c1)O/C(=C/c1scnc1C1CC1)C2=O 782342674 RHCXZBLXTXSLIR-NTUHNPAUSA-N 299.351 3.645 30 20 CHED C=C1CC(c2noc(CCCCCCC(C)=O)n2)C1 896884549 SFGOSYQDDWDRDE-UHFFFAOYSA-N 262.353 3.585 30 20 CHED C[C@@H](NN=Cc1c[nH]c2cccc(F)c12)C(C)(C)C 793117038 WNZRSTFCXKGTOQ-SNVBAGLBSA-N 261.344 3.665 30 20 CHED C#CCCCCN[C@@H](C)c1cc(Cl)ccc1OC 90398096 IBWWAMVWXMDKOK-LBPRGKRZSA-N 265.784 3.803 30 20 CHED CC1(C)CCC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1 1201433177 WLRQAYRSRJNMBQ-CYBMUJFWSA-N 289.354 3.788 30 20 CHED CC[C@@H](C)CON=CCSCc1ccccc1 793147033 XVQXFBMCPSXYOS-CYBMUJFWSA-N 251.395 3.968 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2ccc(Cl)c(C#N)c2)C1 513720674 NDYRIYFQJUXOMH-JTQLQIEISA-N 276.767 3.976 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccccc1Cl 1135678304 CCKPTCULFOBFRM-UHFFFAOYSA-N 270.719 3.658 30 20 CHED C[C@@H](Cc1cccs1)Nc1cccc(CC#N)c1 590662262 HEUQMSWATMUCEH-LBPRGKRZSA-N 256.374 3.857 30 20 CHED CC[C@H](C)CON=C/C=C\c1ccccc1[N+](=O)[O-] 793159077 KTQCGKDSFMWPDG-TZCHNOFFSA-N 262.309 3.657 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(C)c(C)o2)ccc1C#N 799896035 UFCWHBTZQKLLPO-ALCCZGGFSA-N 265.312 3.973 30 20 CHED C=C(C)CNC(=S)N(CC)c1ccc(Cl)c(F)c1 799507074 KQOMOTAUWGDRDT-UHFFFAOYSA-N 286.803 3.756 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 593409785 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TWLJUOLFDGNSDB-JTQLQIEISA-N 285.372 3.811 30 20 CHED C#CCN(Cc1csc(-c2ccc(C)cc2)n1)C1CC1 763951270 UMJVPCOCXGHCJJ-UHFFFAOYSA-N 282.412 3.716 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccccc1C(F)(F)F 90450880 RLBYFPBKWUEMIU-LBPRGKRZSA-N 287.325 3.949 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)c1cccc(O)c1 90794760 IDQMTYGVQSNHJP-JTQLQIEISA-N 256.280 3.576 30 20 CHED COC(=O)[C@@H]1CCCC[C@H]1CSc1ccc(C#N)cc1 1307292110 GYAREPDQDLLPMW-DZGCQCFKSA-N 289.400 3.630 30 20 CHED N#Cc1csc(CNc2cncc(C(F)(F)F)c2)c1 1621106175 PGLVXKKUSMIOLJ-UHFFFAOYSA-N 283.278 3.646 30 20 CHED COc1ccsc1[C@@H](C)Nc1ccc(OCC#N)cc1 1321283884 UQVKZBJQWAWENL-LLVKDONJSA-N 288.372 3.832 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1ccc(Cl)c(F)c1 1324644800 PIYPEOALTKIVIR-SECBINFHSA-N 275.714 3.919 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)c1 1252103613 BDOAWKHTPJUFQE-NSHDSACASA-N 285.293 3.688 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc(C(C)(C)C)oc1C 1338328902 NNHVVHDHSXNEPP-LBPRGKRZSA-N 276.380 3.650 30 20 CHED COc1cccc(COc2cccc(F)c2C#N)c1Cl 1188995790 NKOMLCFQJNLWSZ-UHFFFAOYSA-N 291.709 3.938 30 20 CHED N#Cc1ccnc(/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1 1256278555 HREFEXKVXJTUMF-IWQZZHSRSA-N 285.690 3.685 30 20 CHED CC(C)(C)c1cnc(Sc2nc(C#N)c(Cl)s2)[nH]1 1187248275 OGRVWELTJYWWLS-UHFFFAOYSA-N 298.824 3.840 30 20 CHED Cc1cc(C(=O)N(c2cccc(C#N)c2)C2CCC2)ns1 1338058388 OHJOSJVCLIKKIM-UHFFFAOYSA-N 297.383 3.523 30 20 CHED C=C(C)CCC(=O)N(Cc1cccs1)C(C)C 1337688037 LSJXKSAGHIHKHX-UHFFFAOYSA-N 251.395 3.841 30 20 CHED N#Cc1ccc(-c2nnc(-c3cnc(C4CC4)s3)o2)cc1 1345867930 VWAUUWBWDUEHKX-UHFFFAOYSA-N 294.339 3.609 30 20 CHED C=C[C@H](C(=O)NC(C)(C)C1CCC1)c1ccccc1 1348708707 YTQVODWSFKFESX-HNNXBMFYSA-N 257.377 3.651 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)O[C@@H]1CC[C@H](C#N)C1 1344489695 OJULTQHZIDQIDH-GMXVVIOVSA-N 293.363 3.542 30 20 CHED C=CC(C)(C)c1nnc(-c2cccc(OC(F)F)c2)o1 1261575551 LJZXAZNCFRQEQR-UHFFFAOYSA-N 280.274 3.802 30 20 CHED CC(C)[C@@H](F)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1273423317 NFHBYBYXKMSGLP-CQSZACIVSA-N 292.354 3.668 30 20 CHED C=C(Cl)Cn1c(CC2CCCC2)nnc1N(CC)CC 1507869165 NNWKEVXIAUZMLM-UHFFFAOYSA-N 296.846 3.610 30 20 CHED COc1cc(OC)cc(Oc2cccc(F)c2C#N)c1 105791344 GFXKRJHIDPRGFY-UHFFFAOYSA-N 273.263 3.507 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)CCOC(C)C)c1cccs1 1515590035 QNPCVYKGQIRUKF-SWLSCSKDSA-N 295.404 3.697 30 20 CHED COC(=O)c1ccc(CSc2ccc(C#N)c(C)c2)cc1 1459139725 DJPIJZLERYLGNG-UHFFFAOYSA-N 297.379 3.946 30 20 CHED CC1(CCC(=O)O[C@H](C#N)Cc2ccc(F)cc2F)CC1 1525234531 SJDYFRNMKUMMNL-ZDUSSCGKSA-N 293.313 3.523 30 20 CHED N#CCc1cccc(NC(=O)c2ccc3scnc3c2)c1 1521754537 MQEZHVOGAOZHPY-UHFFFAOYSA-N 293.351 3.615 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2ccc3occc3c2)c(F)c1 1535240574 PTLWVJZDFVDUMT-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CC1(C)C(CNC(=O)CC2(C#N)CCCCC2)C1(C)C 1538416944 VKAYFECQOREFEA-UHFFFAOYSA-N 276.424 3.649 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1coc2ccccc12 1602230752 NYODXFQXTCCCBU-UHFFFAOYSA-N 298.273 3.716 30 20 CHED C[C@H](C#N)CN(C1CC1)[C@H](C)c1nccc2ccccc12 1461929779 XTFOZPMQJRIADE-ZIAGYGMSSA-N 279.387 3.920 30 20 CHED Cc1ccnc(NCC(C)(C)c2ccccc2F)c1C#N 1611926849 NFKIEHJSIJAGJS-UHFFFAOYSA-N 283.350 3.791 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)c1ccnc(C#N)c1 1472696300 MMVWNDLQRUIBTC-GFCCVEGCSA-N 285.778 3.674 30 20 CHED CCCCN(C)c1ccc(C#N)c(Br)c1 228174694 APYGRVXHJOVVQP-UHFFFAOYSA-N 267.170 3.557 30 20 CHED Cc1cc(CCNc2snc(C)c2C#N)ccc1Cl 1559197183 BGZZWHDVBBPERI-UHFFFAOYSA-N 291.807 3.940 30 20 CHED CCC[C@](C)(O)CNc1ccc(C(F)(F)F)cc1C#N 229725997 AYWTUOAPMKTQFC-ZDUSSCGKSA-N 286.297 3.540 30 20 CHED CC(C)(CC#N)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 1560878615 AHYCLEBOBYBRGB-KGLIPLIRSA-N 278.440 3.642 30 20 CHED C[C@@H]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1657862731 WGLRVLZFNOQKQK-MNOVXSKESA-N 291.782 3.769 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cccc(C(F)F)c2)c1 1584674608 MFCHQFKWSMMERQ-UHFFFAOYSA-N 290.244 3.887 30 20 CHED CC[C@@H]1c2ccccc2CCN1c1cc(C)c(C#N)cn1 1651531125 REBZXMZXQRQPNZ-QGZVFWFLSA-N 277.371 3.776 30 20 CHED CN(C(=O)c1cccc(SCC#N)c1)c1ccsc1 1585287818 MLUOJUDDTQNPNZ-UHFFFAOYSA-N 288.397 3.640 30 20 CHED C[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)C1CC1 1597494292 SVXBHTKFCNKCME-QMMMGPOBSA-N 297.185 3.641 30 20 CHED CC[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 134989787 XCKSMMXYDQPBNN-SNVBAGLBSA-N 268.282 3.813 30 20 CHED N#CCc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 15029079 NEJUZUCZMNMMRR-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C#CCCCCNCc1cnc(-c2ccccc2)s1 150739327 JQECXBNFPZAGMR-UHFFFAOYSA-N 270.401 3.703 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCS2)cc1Cl 158197298 WCPZKGTYKDONIR-LBPRGKRZSA-N 266.797 3.909 30 20 CHED CC(C)=CCC[C@@H](C)NCc1ccc(C#N)cc1F 151142745 XDCZHQWQKFASLL-CYBMUJFWSA-N 260.356 3.922 30 20 CHED CCOc1cc(C)ccc1NCc1cc(C#N)ccc1OC 151907484 BEAFTCYBVBQNPL-UHFFFAOYSA-N 296.370 3.886 30 20 CHED C=C(C)COCCNC(=O)c1ccccc1SC(C)C 152991770 XFQGRATYUICDOY-UHFFFAOYSA-N 293.432 3.510 30 20 CHED COc1cccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c1 209193078 IFXTVSBNLIQSQU-WAYWQWQTSA-N 289.312 3.561 30 20 CHED COc1cc(CNc2cc(F)ccc2C)ccc1C#N 234900400 BLGXHMACSQRZJL-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccnc(Cl)c1Cl 912729242 XXLOZKLIPKWAAU-UHFFFAOYSA-N 287.190 3.863 30 20 CHED C=CCC1(NC[C@@H](O)c2cccc(Cl)c2)CCCC1 852588545 UFXAHOKNVFXVEU-OAHLLOKOSA-N 279.811 3.852 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1cc(C#N)ccc1F 252221349 ZCSBKBGRLGZMHW-BFQNTYOBSA-N 260.356 3.612 30 20 CHED C[C@H](CC(=O)Nc1cccc(C#N)c1)CC(C)(C)C 36805021 FTOKAJCSWOFQEE-GFCCVEGCSA-N 258.365 3.959 30 20 CHED COc1ccc(SCCOc2cccc(C#N)c2)cc1 37143610 MUFMRLPIUUGGLI-UHFFFAOYSA-N 285.368 3.738 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CC=CCC2)ccc1Cl 48824310 QTRRIPPAGOGTOE-SNVBAGLBSA-N 260.724 3.506 30 20 CHED COc1cc(C)ccc1NCc1ccc(C#N)c(F)c1 190351499 RGIACISWVQWPQF-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCc1nc(C#N)cc(SCc2ccc(Cl)cc2)n1 308277504 IGNBEUXLSJOOOA-UHFFFAOYSA-N 289.791 3.856 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CC12CCOCC2 657979566 IXOKODLQRZTGAY-OAGGEKHMSA-N 263.425 3.528 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)cn1 702262297 GKDMNOXMALXQSN-UHFFFAOYSA-N 292.125 3.512 30 20 CHED COc1cccc(C(C)=NOCc2ccccc2)c1 839418915 HJPNSPUZPYZQFR-UHFFFAOYSA-N 255.317 3.636 30 20 CHED C=CCOc1ccc(CN[C@H](C)Cc2ccc(O)cc2)cc1 105447993 VBVAGKOJLLNNLF-OAHLLOKOSA-N 297.398 3.678 30 20 CHED CCC[C@@H](C(=O)OCC1(CC#N)CC1)c1ccccc1 174745239 YNHXIKFHSGSAKM-OAHLLOKOSA-N 271.360 3.807 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1c(F)cccc1F 177866081 RHVGJJKCBANCQG-VIFPVBQESA-N 271.332 3.601 30 20 CHED C#Cc1cccc(NCc2cc(-c3ccccc3)no2)c1 114452147 QPKWYGABPNIOTQ-UHFFFAOYSA-N 274.323 3.935 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccc(CC)cc1 56475782 URFGHIDNHVTFRU-UHFFFAOYSA-N 294.354 3.772 30 20 CHED Cc1nnc(N[C@@H]2CCc3c(Cl)cccc32)c(C#N)c1C 57147306 JKVIREUUXKKIQO-OAHLLOKOSA-N 298.777 3.718 30 20 CHED N#Cc1ccc(N2Cc3ccccc3C2)cc1Cl 61851211 DPIHWOVQGYISGA-UHFFFAOYSA-N 254.720 3.732 30 20 CHED N#Cc1cc(F)c(Oc2cccnc2)cc1Br 310322192 VJCIRGLCGNKVEI-UHFFFAOYSA-N 293.095 3.647 30 20 CHED COc1ccccc1CSc1cccc(F)c1C#N 301258699 FIPHYNRKEJLPRR-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=CCS[C@H](C(=O)N(CC)CC)c1ccccc1 114757086 MEIVZJDKRRSMOT-AWEZNQCLSA-N 263.406 3.515 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)/C=C/Sc2ccccc2)C1 179883401 YJTZEXLWDBTIMJ-RYYBZQDPSA-N 273.357 3.528 30 20 CHED C#CCCCNC(=O)Nc1ccccc1-c1ccccc1 174440260 DDRCVVQBVKXRNR-UHFFFAOYSA-N 278.355 3.889 30 20 CHED Cc1ccccc1CCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 116811241 FFMCGKCHLSAAQK-RDTXWAMCSA-N 284.403 3.516 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC3CC=CC3)c2c1 301634274 KHMHECOYUYVSQE-UHFFFAOYSA-N 263.344 3.854 30 20 CHED Cc1ccc(N(C)C(=O)c2cccc(C#N)c2)cc1Cl 113069988 MBUDSOKZQXBUNX-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C=C(C)COCCNc1cc(C)nc2ccc(F)cc12 301711715 KSJOKCRIMAPAII-UHFFFAOYSA-N 274.339 3.687 30 20 CHED C#Cc1cccc(NC(=O)N(C2CCCC2)C2CC2)c1 175686634 WTMXUAOFNULUSN-UHFFFAOYSA-N 268.360 3.607 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)c1ccc(C#N)cn1 301350608 JUJDMCIUGBQXQG-KRWDZBQOSA-N 279.387 3.719 30 20 CHED N#CC[C@@H](C(=O)N1CC[C@@H](C2CCCC2)C1)c1ccccc1 1276568339 WDCQNMIUKKHTRA-QZTJIDSGSA-N 296.414 3.723 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)NCc1cccc(C#N)c1)C1CC1 175264433 KNWUDQCYLFQHNS-UONOGXRCSA-N 299.418 3.667 30 20 CHED CCC[C@@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] 302119979 FOIWJUOABRIESN-CYBMUJFWSA-N 273.336 3.625 30 20 CHED C[C@@H]1CCC[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301430721 VJSRUBXVNRQEPC-QMTHXVAHSA-N 296.330 3.615 30 20 CHED C=CCN(C)Cc1ncc(-c2cccc(Cl)c2)o1 121186658 OOHKEIYRHSDBNC-UHFFFAOYSA-N 262.740 3.613 30 20 CHED C=CCN(C(=O)c1cc2nc(C)ccc2o1)c1ccccc1 171531901 OCJRWLBIZHUTEA-UHFFFAOYSA-N 292.338 3.969 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)Nc1ccc(C#N)cn1 120472384 ZTCXCMFBBKHGHP-FLIBITNWSA-N 297.745 3.649 30 20 CHED CC[C@@H](CC(=O)NC1(C#N)CCCCC1)c1ccccc1 171536942 QIUYFMMLFZVYAR-HNNXBMFYSA-N 284.403 3.913 30 20 CHED N#CCc1ccc(NC(=O)c2sccc2C2CC2)cc1 67132125 XVBRHXNXOPJCSP-UHFFFAOYSA-N 282.368 3.944 30 20 CHED C=CCC[C@H](Nc1cncc(C)n1)c1ccccc1 302135062 DIUQGTDJMQLWFT-HNNXBMFYSA-N 253.349 3.904 30 20 CHED CCCCCCCCCN(C)c1ncnc2nc[nH]c12 127077861 TVWFRBKLSPLYSK-UHFFFAOYSA-N 275.400 3.540 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(Oc2cccnc2)cc1 188044092 PLEULXZRKQXVHO-CQSZACIVSA-N 296.326 3.723 30 20 CHED Cc1cc(C)n(-c2cccc(N[C@@H]3CCC[C@H](C#N)C3)c2)n1 185740318 BMEMMZKKENVUCU-JKSUJKDBSA-N 294.402 3.983 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(Br)cc1F 122241321 LHDTXQVLWZOVAR-VIFPVBQESA-N 299.187 3.789 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ccc(OC)cc1 181387752 NBRITYCHIFJVJL-AWEZNQCLSA-N 290.407 3.581 30 20 CHED O=C1/C(=C\c2cncs2)CCC/C1=C\c1cncs1 129881212 NOEKHIMRUZITCH-WIZYTBDYSA-N 288.397 3.820 30 20 CHED Cc1nocc1CN(Cc1ccc(C#N)cc1)CC(C)C 507420799 BPSRUUKCWNNSBI-UHFFFAOYSA-N 283.375 3.513 30 20 CHED C=CC[C@@H](CO)CN[C@H]1CCC(C)(C)c2ccccc21 360647851 OCTBNNVRCAKRCP-PBHICJAKSA-N 273.420 3.573 30 20 CHED C#CCCCCC(=O)N1CCCC[C@@H]1CCC(C)C 120279049 ILPLJENXSHAYOT-MRXNPFEDSA-N 263.425 3.997 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1ccc(OC)cc1 414169379 RQYHGPQFHNBLHU-HNNXBMFYSA-N 260.381 3.676 30 20 CHED CC(C)(C)CCCC(=O)N1CCc2cc(C#N)ccc21 416012438 LLCKTGKVXWYIDX-UHFFFAOYSA-N 270.376 3.664 30 20 CHED CCCCCC(=O)NCc1cccc(O[C@H](C#N)CC)c1 71069503 QPEWHVLKOVJLHQ-HNNXBMFYSA-N 288.391 3.564 30 20 CHED CC(C)Oc1ccccc1CNCc1ccc(C#N)cc1 37505850 CKYJHYWXGYHJII-UHFFFAOYSA-N 280.371 3.635 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)c(F)cc1F 188281535 WDTCQHHQAAKJJB-CYBMUJFWSA-N 257.255 3.645 30 20 CHED C=CCCCCCN(C[C@@H]1CCCO1)[C@@H]1CCSC1 488123438 JDUGVBWCFBSBAY-CVEARBPZSA-N 283.481 3.719 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1cccc(OC(C)C)c1 185142680 UUQMWWQJOWCERU-OAHLLOKOSA-N 287.403 3.845 30 20 CHED N#CCN(C(=O)Cc1ccc2ccccc2c1)C1CCCC1 78003006 DCEGQIZRPLAJJE-UHFFFAOYSA-N 292.382 3.677 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CC)c1ccccc1OC(F)F 128501118 QOVIBVUWHFGJOU-ZYHUDNBSSA-N 298.333 3.613 30 20 CHED C[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc(C#N)cc1 411452071 OSRANMPWQYLGEI-IGNZVWTISA-N 280.346 3.904 30 20 CHED CCC(C)(C)CC(=O)N[C@H](C#N)c1ccccc1Cl 73094447 WAOWEZXHGDLRCH-CYBMUJFWSA-N 278.783 3.847 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cc(C2CCCC2)[nH]n1 184073684 FQTAULSIIPTMFA-NSHDSACASA-N 261.369 3.608 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1cccc(C#N)c1 283600026 MMZXJVIAJICGNC-ZDUSSCGKSA-N 270.376 3.599 30 20 CHED CC(C)c1nnc(CSCC2(C#N)CCC2)s1 419548900 UTPBIZFGWLENFT-UHFFFAOYSA-N 267.423 3.589 30 20 CHED C=C(C)CCN1CCN(CCC(=C)C)[C@@H](CCC)C1 509005455 CSMOIUCHTCUHKS-KRWDZBQOSA-N 264.457 3.705 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SCCCC 75324678 ZCTVIZABJJNSRV-UHFFFAOYSA-N 287.432 3.947 30 20 CHED Cc1ccccc1OCCN[C@@H](C)c1cccc(C#N)c1 181607192 LHRYIIGLGNXSOX-HNNXBMFYSA-N 280.371 3.596 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)[C@H]2CCCC[C@H]12 182945833 SCOCAWLDCREQEZ-XYPHTWIQSA-N 297.402 3.795 30 20 CHED C[C@@H]1CN(CC(C)(C)CCC#N)CCN1Cc1ccccc1 414516044 WBFPTHSJWCNHAG-QGZVFWFLSA-N 299.462 3.523 30 20 CHED CCCC(C)(C)NC(=O)Nc1ccccc1O[C@@H](C)C#N 180053824 CGIHLSJLMMSARQ-LBPRGKRZSA-N 289.379 3.678 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2 410839398 CCHNMJHKHNUAJE-KDOFPFPSSA-N 288.435 3.888 30 20 CHED CC1(C[S@](=O)Cc2cccc(C#N)c2)CCCCC1 414259971 GDJAYJQKBITFPQ-LJQANCHMSA-N 275.417 3.777 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1ccccc1F)c1cccc(C#N)c1 75276312 FOKVNRLRKQBTHH-STQMWFEESA-N 296.345 3.678 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCC[C@@H]1C1CC1 412479916 RXOVLXTVHDHPEW-HZPDHXFCSA-N 261.409 3.697 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2C[C@H]2C)c1 76830837 HPLOKLPYUSWPCY-DYVFJYSZSA-N 295.407 3.919 30 20 CHED CC#CCCCC(=O)N(CC)[C@@H](CC)c1ccncc1 185873792 KBBYFSNKHOLJGF-INIZCTEOSA-N 272.392 3.575 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCC[C@H](C#N)C1 414311949 ZDRQQRYLGDWREV-KSZLIROESA-N 268.404 3.846 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1csc(C2CC2)n1 134511473 DQNQVOJOIODWRE-IBGZPJMESA-N 296.461 3.599 30 20 CHED C[C@H](/N=C(/O)N[C@H]1CC12CCCCC2)c1ccc(C#N)cc1 329129170 VVNLLVFWKLSSJG-BBRMVZONSA-N 297.402 3.846 30 20 CHED N#Cc1ccc(NCc2ccc3ccccc3c2)nc1 49281575 HSRPDMQBBUJLKY-UHFFFAOYSA-N 259.312 3.719 30 20 CHED CC1(/N=C(/O)c2coc(C3CCCC3)n2)CCCC1 328775055 FDDZOOFJQOOGEP-UHFFFAOYSA-N 262.353 3.970 30 20 CHED CC(C)(C)c1nnc(SCC/N=C(/O)C2CCCC2)o1 329819239 GADDPCDEBOWRGJ-UHFFFAOYSA-N 297.424 3.606 30 20 CHED N#Cc1cnc(N2CCC3(CCCCC3)CC2)c(F)c1 413114629 MQPXTTDHCWYYCR-UHFFFAOYSA-N 273.355 3.643 30 20 CHED CCCN(CC1CCCCC1)C(=O)c1ccc(C#N)c(C)n1 194622655 ZXWADAXHPRVBNA-UHFFFAOYSA-N 299.418 3.694 30 20 CHED C=CCSCCNC(=O)N1CCC[C@@H]1C1CCCCC1 195730032 IAHZXZVYCUIFET-OAHLLOKOSA-N 296.480 3.660 30 20 CHED CC(C)(C#N)CCSc1ccc([N+](=O)[O-])cc1 87596243 OZLQKTHATYVPQW-UHFFFAOYSA-N 250.323 3.627 30 20 CHED Cc1ccc(C(C)(C)CN[C@@H]2CC[C@@H](C#N)C2)c(C)c1 426306217 FMMBSJUSCRGBHK-HZPDHXFCSA-N 270.420 3.863 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCO2 193872070 FTGLQSHLOVOQML-GOSISDBHSA-N 292.382 3.734 30 20 CHED C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cncs1 229113048 KVHOZXRWSLADMA-MRVPVSSYSA-N 263.753 3.841 30 20 CHED N#Cc1ccc(OCc2ccn(C3CCCC3)n2)cc1F 133624904 UNNGFVYEEZEBBL-UHFFFAOYSA-N 285.322 3.588 30 20 CHED COCc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1 132596075 OGXDZWBEIPEAGD-MDZDMXLPSA-N 277.323 3.601 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1nc(-c2ccccc2)c[nH]1 194586284 OLMRJANDHBEQCB-ZHACJKMWSA-N 299.333 3.844 30 20 CHED C=CCOc1cccc(NC(=O)N(CC(C)C)C2CC2)c1 193709941 BXAIHXFWSKXRLJ-UHFFFAOYSA-N 288.391 3.904 30 20 CHED C=CC1CCN(C(=O)NCCCC2CCCC2)CC1 518453603 LDQWYPCGVNZRLA-UHFFFAOYSA-N 264.413 3.564 30 20 CHED N#Cc1ccc(F)cc1CN1CCS[C@H]2CCCC[C@@H]21 161441787 IEQSIOFOOHFMPO-HOTGVXAUSA-N 290.407 3.557 30 20 CHED CC(C)c1nc(CSc2ccc(C#N)cn2)cs1 339926446 MMXMMRFYGWRQDR-UHFFFAOYSA-N 275.402 3.825 30 20 CHED C=CC[C@H](CC)NC(=O)NCC(C)(C)c1ccc(F)cc1 513377787 MXKOKHOYMSKVPD-HNNXBMFYSA-N 292.398 3.757 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ncoc1-c1ccccc1 424721868 WKVLYYUTKXUTFK-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H]1CCO[C@H]1c1ccccc1 191862123 QQVKOIPDNQSVIE-MVJTYMMSSA-N 273.420 3.955 30 20 CHED C=CCN(CCC#N)CCc1cccc(OC(F)(F)F)c1 428842811 GORKSHJTODWHCJ-UHFFFAOYSA-N 298.308 3.529 30 20 CHED CC1(C#N)CCC(NC[C@H]2C[C@H]3C=C[C@H]2CC3)CC1 421350048 KHBZQZKZHAIJPH-CGLCSIQHSA-N 258.409 3.651 30 20 CHED CC(C)(C)CC(C)(C)N/C(O)=N/CCc1ccco1 330996979 XSVCFQAEKKGMJW-UHFFFAOYSA-N 266.385 3.541 30 20 CHED C=C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c2cnccc12 515307752 PNFXWOMVIRUDQK-GFCCVEGCSA-N 283.331 3.688 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCc2ccccc2C1 425509285 UDFPTMCDVLNPAG-MRXNPFEDSA-N 271.404 3.605 30 20 CHED C[C@@H]1CCC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 337559739 UMLWAGYZZFCORT-DQYPLSBCSA-N 254.377 3.714 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)Cc1cccs1 337898440 GLOOOWMCJHYDRU-LBPRGKRZSA-N 290.436 3.676 30 20 CHED C[C@H](C#N)Oc1ccc(CNCCC2=CCCCC2)cc1 237566653 VMFVKHWIOPYAJX-OAHLLOKOSA-N 284.403 3.958 30 20 CHED CC[C@H](c1ccccc1)[S@](=O)Cc1ccccc1C#N 339151208 AUFPKXZEHVHVPE-YLJYHZDGSA-N 283.396 3.958 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1C 337675988 SEZAWMKETOJXGX-KRWDZBQOSA-N 296.345 3.887 30 20 CHED CCc1cc(=NCC(C)(C)CCC#N)c2ccccc2[nH]1 514751015 APEUTBZJKUORGU-UHFFFAOYSA-N 281.403 3.961 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2nc(C)oc2c1 336421787 XQIKDDDLHZXGSF-ZDUSSCGKSA-N 285.347 3.709 30 20 CHED C=C(C)CSc1n[nH]c(/C=C\c2ccc(C)o2)n1 96983436 YAZONQIBLNWNLO-SREVYHEPSA-N 261.350 3.545 30 20 CHED Cc1coc2ccc(N=C(O)N[C@@H]3CCC[C@H]3C#N)cc12 330162600 UQYYGHMFMRDQMK-SMDDNHRTSA-N 283.331 3.569 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 331036011 MVJXYCJBILVITH-CZUORRHYSA-N 284.403 3.796 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(CCC#N)Cc1ccco1 522191726 WWLYHXJKNJLXDB-GJZGRUSLSA-N 288.391 3.738 30 20 CHED CC1(C)CN(c2c(C#N)cccc2C#N)CC(C)(C)C1 436342392 HVCZZWZYOOHANK-UHFFFAOYSA-N 267.376 3.692 30 20 CHED CC[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 248873866 QWZVGFDQEBAKDH-INMHGKMJSA-N 256.393 3.852 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(OCCC)c1 435726496 QEMVGSCYDVAOTO-AEFFLSMTSA-N 289.419 3.546 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1ccnn1C(C)C 347858600 HBDFCMUHBALJAT-UHFFFAOYSA-N 298.390 3.735 30 20 CHED N#Cc1cccc(-c2nnc(CSc3cccs3)o2)c1 341816940 CMIKXNMFNGJPSP-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(C(C)C)c1C1CC1 343258265 HMNNNUPLKGHCGS-CYBMUJFWSA-N 289.423 3.816 30 20 CHED COc1ccc2ccccc2c1CN1CCC(F)(C#N)CC1 348712603 VCCVZWHYPCRBPK-UHFFFAOYSA-N 298.361 3.676 30 20 CHED CCc1ccc(CCNc2nc3c(cc2C#N)CCC3)cc1 609893671 NEXJSSSLLNIXBO-UHFFFAOYSA-N 291.398 3.659 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CC=CC[C@H]1C 342511013 SYWCNVSUNIWONY-ZBFHGGJFSA-N 276.424 3.767 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2ncccc21 601278349 SCEOTPIOWKVEIZ-OALUTQOASA-N 289.382 3.608 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(N(C)C(C)C)c1 528507885 KJWMRGDAAAKPIQ-UHFFFAOYSA-N 287.407 3.800 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1[C@@H](C)CCC1(C)C 602898221 LETUEWBZIIKQQM-NSHDSACASA-N 271.364 3.662 30 20 CHED N#Cc1ccc(CNC(=O)c2ccc3sccc3c2)cc1 348458770 DYXZVFYINXPXAJ-UHFFFAOYSA-N 292.363 3.703 30 20 CHED COc1cccc(/C=C2/Cc3ccc(F)cc3C2=O)c1 255296941 HXYBWSUSFDFILD-QPEQYQDCSA-N 268.287 3.657 30 20 CHED N#CCN(C(=O)C[C@H]1C[C@H]1c1ccccc1)c1ccccc1 341149383 BJMVUGLDUZDMLS-AEFFLSMTSA-N 290.366 3.737 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2C)cc1 255121937 MSUQAAJZWKTGKH-FLIBITNWSA-N 297.310 3.808 30 20 CHED CC(C)c1cnc(SCCOc2cccc(C#N)c2)[nH]1 600585721 JORHSCGDDJHGOJ-UHFFFAOYSA-N 287.388 3.576 30 20 CHED Cc1cc(COc2ccc3c(c2)CCCC3=O)ccc1C#N 447312177 KYWBEVXWTRKNKY-UHFFFAOYSA-N 291.350 3.965 30 20 CHED COc1cc(CN2C[C@@H](C)[C@H]2c2ccccc2)ccc1C#N 442890085 MTWWKOUAYCUQJJ-KUHUBIRLSA-N 292.382 3.760 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H](C(C)C)C2)c1C#N 443984979 GFPWFXVEXUKSBI-LBPRGKRZSA-N 277.799 3.788 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H](CC(F)(F)F)c2ccccc2)C1 442714497 LQKKXZKLOIRKDO-XBFCOCLRSA-N 282.309 3.962 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(C)(C)CSC 443463668 UCJNDHZWHAWUQA-UHFFFAOYSA-N 283.462 3.652 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@@H](SC)C2)CCCC1 449887901 NRENZNMEPISJOV-UONOGXRCSA-N 281.465 3.913 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](CC)C1CCC(C)CC1 359602313 YGZPVINSABRAQT-NEXFUWMNSA-N 264.413 3.647 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 448645854 CNJCITSQLIHHSN-RHSMWYFYSA-N 276.424 3.791 30 20 CHED CC(=O)c1cccc(N=Cc2cc3ccccc3nc2O)c1 255320342 DJBODNBTFCUBJX-UHFFFAOYSA-N 290.322 3.894 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1cc2c(Cl)cccc2s1 604437325 ODWMKLPHWCEINN-VIFPVBQESA-N 292.791 3.786 30 20 CHED Cc1ccc(CSCCN[C@H]2CC[C@H](C#N)C2)cc1 442649605 NDLCVJAWFUVUQF-HOTGVXAUSA-N 274.433 3.510 30 20 CHED Cc1cccc(OC[C@@H](C)NCc2ccc(C#N)cc2F)c1 533448924 WMFGNBYQCCOEKF-CQSZACIVSA-N 298.361 3.563 30 20 CHED CC(C)COc1ccccc1CNC[C@H](C)CCC#N 602519212 VINKUKKLIFGGKB-OAHLLOKOSA-N 274.408 3.751 30 20 CHED N#CCCN(Cc1csc(-c2ccccc2)n1)CC1CC1 353418997 JBPUVPXBIZLRGV-UHFFFAOYSA-N 297.427 3.936 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)c1ccc(C#N)cc1 269650221 IELZLNASNJKBHZ-LSDHHAIUSA-N 296.395 3.695 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)CC1(C)C)c1ccccc1 534654713 KXWNHTXDQVVQNA-HUUCEWRRSA-N 271.404 3.993 30 20 CHED CC[C@H](CN(CC#N)C1CCCC1)c1ccccc1 539826176 BJRIVJPKLXMHHV-OAHLLOKOSA-N 256.393 3.948 30 20 CHED 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289.419 3.690 30 20 CHED C=CCC(C)(C)CNCc1cc2ccncc2s1 657473736 PVIUYNQHWAFHGT-UHFFFAOYSA-N 260.406 3.988 30 20 CHED Fc1ccc(NN=Cc2cccc3cc[nH]c23)c(F)c1 814686407 DKQGUQUCZLJGDL-UHFFFAOYSA-N 271.270 3.892 30 20 CHED CC(Cn1cccn1)=NNc1ccc(Cl)cc1Cl 814751100 GPPHUYUVKLCZHS-UHFFFAOYSA-N 283.162 3.678 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2ccccc2C)CCCC1 486391054 AVNXMGAIMASHTR-HNNXBMFYSA-N 271.404 3.888 30 20 CHED C(=NO[C@H]1CCCCO1)c1ncc(-c2ccccc2)s1 811646082 KDXBEBOJSTYDBI-HNNXBMFYSA-N 288.372 3.687 30 20 CHED Clc1ccc(C2CC(=NNC[C@@H]3CCSC3)C2)cc1 811661269 HXDNYBLSBDWLLU-AMGKYWFPSA-N 294.851 3.916 30 20 CHED C=CCCCCCCNC(=O)N1CC(C)(CC)C1 813165925 YDRFBCZARGQCPD-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2ccc(OC)cc2s1 489495474 JKIXHCRYJGPPSQ-GFCCVEGCSA-N 288.416 3.845 30 20 CHED CCCCC1CCC(Nc2cc(C#N)ncn2)CC1 570235602 VYPWZVHMKOCVBV-UHFFFAOYSA-N 258.369 3.509 30 20 CHED C#CCCOc1ccc(C(=O)N2C3CCCC2CCC3)cc1 826112842 LLDPXZITGQRHJR-UHFFFAOYSA-N 297.398 3.636 30 20 CHED Cc1cc(C(=O)/C=C\C2=Cc3ccccc3OC2)ccc1O 728232887 XPASNNVXCUIBPS-VURMDHGXSA-N 292.334 3.916 30 20 CHED CC(C)n1cccc1C(=O)N(CCC#N)c1ccc(F)cc1 574506180 IUMAAJDGIFQESV-UHFFFAOYSA-N 299.349 3.769 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 498403405 IQSXXCJFYQLFCA-UONOGXRCSA-N 299.418 3.671 30 20 CHED C=CCC1(N[C@H](CC)C[C@H](C)CC)CCOCC1 668551571 QVIQKXGODYFYCK-HUUCEWRRSA-N 253.430 3.916 30 20 CHED Cc1cccc(C2(C(=O)N(O)Cc3ccc(F)cc3)CC2)c1 901374497 KWMUVVASVIDHMG-UHFFFAOYSA-N 299.345 3.584 30 20 CHED C=CCC(C)(C)CNC(=O)c1sccc1CC 490058841 LLHRASXLXKKIOQ-UHFFFAOYSA-N 251.395 3.643 30 20 CHED C[C@H](NC1CCC2(CCCO2)CC1)c1ccc(C#N)cc1 581064575 VYAXZSCCCBDYTH-NNGSBXSVSA-N 284.403 3.701 30 20 CHED Cc1cc(Cl)ccc1/C=C\C(=O)c1c(C)nn(C)c1C 588477033 ZJEFMTDDRSPAQI-VURMDHGXSA-N 288.778 3.895 30 20 CHED C=CCOc1ccc(/C=C(/C)c2ncccn2)cc1OC 821017844 PZSKWBGLAJAYCJ-QBFSEMIESA-N 282.343 3.611 30 20 CHED CC(C)(C)OC(=O)NCCS[C@@H](C#N)C1CCCCC1 901610992 JBZNFAMAPBWXQB-ZDUSSCGKSA-N 298.452 3.717 30 20 CHED CCC[C@H](C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 735793652 WXLBJAQREKLOTQ-WCQYABFASA-N 283.375 3.874 30 20 CHED CC(=NNc1ccc(Cl)c(C)c1)c1cn(C)nc1C 905514382 WTEITEKDAWCVDK-UHFFFAOYSA-N 276.771 3.526 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2cncc(F)c2)c1 737446562 VWUGYTFDDAOXOQ-HYXAFXHYSA-N 259.255 3.564 30 20 CHED COc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(Cl)c1 839048215 CKFPRYYNRGYRLI-CMPLNLGQSA-N 293.750 3.588 30 20 CHED C=C(C)CCNc1cccc(CC(=O)OC(C)(C)C)c1 582087235 BGYACKFKUWUNRO-UHFFFAOYSA-N 275.392 3.949 30 20 CHED C=CCC1(C(=O)OCc2ccc(F)cn2)CCCCC1 838153659 IZJUJMFLTPYFPS-UHFFFAOYSA-N 277.339 3.791 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@H]1CCC[C@@H](C#N)C1 839052304 NEDJVTGDVKURFR-KGLIPLIRSA-N 297.354 3.909 30 20 CHED N#CCCC1CCN(Cc2cc(Cl)cs2)CC1 584780294 KSSBZCCIEXOTHJ-UHFFFAOYSA-N 268.813 3.917 30 20 CHED Cc1oc(C)c(C(=O)N[C@H](CCC#N)c2ccccc2)c1C 585701183 LOOFMQPBIGWKLZ-MRXNPFEDSA-N 296.370 3.980 30 20 CHED Fc1cccc(F)c1NN=Cc1cnn(-c2ccccc2)c1 735615263 MJGYNQOGGGRXQP-UHFFFAOYSA-N 298.296 3.597 30 20 CHED Cc1cccc([C@H](C)NC(=O)C#CC(C)(C)C)c1C 837424502 UKPHFIMBZLIRAY-AWEZNQCLSA-N 257.377 3.530 30 20 CHED CCCNN=C1CCCC[C@@H]1c1ccc(OC)c(F)c1 732712413 GPXMYQGHMNMUBW-CYBMUJFWSA-N 278.371 3.848 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C(F)(F)F)cc2)C1 839043776 NTLXMPOYPAFGSF-ZWNOBZJWSA-N 297.276 3.945 30 20 CHED CC[C@H](NCC[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(C#N)c1 903018178 YKGFOWURJLOJIL-XWTMOSNGSA-N 284.403 3.557 30 20 CHED C=CCCC(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 588102410 OWGJGSFNJRCGMK-WMZOPIPTSA-N 287.403 3.579 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)Cc2ccccc2)c1 732538433 VXERSEWISNAVOD-INIZCTEOSA-N 291.394 3.900 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1 733323171 MEFPSDWUYJOCKY-AWEZNQCLSA-N 283.346 3.689 30 20 CHED C=CCC[C@H](NC[C@@H](CO)C1CCCCC1)C1CC1 580578817 JLJKEEBCWOSOMI-IRXDYDNUSA-N 265.441 3.510 30 20 CHED CC(C)(C)c1ccc(C=NNc2nccnc2Cl)cc1 733079067 SFUYOYKKSUTDTR-UHFFFAOYSA-N 288.782 3.874 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)/C=C/c1ccsc1 730936594 IXIPJNGLAXGLLM-SNAWJCMRSA-N 299.399 3.828 30 20 CHED CCCCC(COC)=NNc1cccc(Cl)c1 737416262 ODFTTXARSUIUEA-UHFFFAOYSA-N 254.761 3.945 30 20 CHED C[C@@H](NC(=O)N1CCCCCCCC1)c1cccc(C#N)c1 836334458 OQXNOXQLOCKQHF-OAHLLOKOSA-N 299.418 3.985 30 20 CHED CC[C@@H](CC(C)C)C(=O)NCc1ccc(C#N)c(Cl)c1 590756855 GHCWSOKNVPIBMS-ZDUSSCGKSA-N 292.810 3.900 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(CC#N)cc1)CC2 595656835 GBJSENSQJUPARS-UHFFFAOYSA-N 276.383 3.619 30 20 CHED C#CCCCCNC(=O)N[C@](C)(Cc1ccccc1)C1CC1 838514905 HBSGIPWHPHSKSJ-LJQANCHMSA-N 298.430 3.501 30 20 CHED C#CCC[C@@H](C)OC(=O)CCc1cnc2ccccc2c1 839039980 UWWJWOHTCJXIJP-CQSZACIVSA-N 281.355 3.513 30 20 CHED C[C@H]1c2ccccc2CCN1CCc1ccc(C#N)cc1 595312482 NKTMKNAPORSMQC-HNNXBMFYSA-N 276.383 3.720 30 20 CHED CCOc1ccc(NC(=O)C#CC(C)(C)C)cc1Cl 837356025 YUXMKSGWLHWQBT-UHFFFAOYSA-N 279.767 3.727 30 20 CHED Cc1ccc2c(c1)CCN(C(=O)CC1(C#N)CCCCC1)C2 597554892 IEIGFJSMOQFBTG-UHFFFAOYSA-N 296.414 3.744 30 20 CHED Cc1ccc(C)c(OC(=O)[C@]2(C#N)CC23CCCC3)c1 839209851 LRDJCCQCBOAOHE-QGZVFWFLSA-N 269.344 3.683 30 20 CHED CCCCC/C(C=NN[C@@H](C)CO)=C/c1ccccc1 749821516 POAAMCVYHKDGCY-ATNJPSKFSA-N 274.408 3.607 30 20 CHED Cc1cc(NC[C@@H](C#N)CCC#N)ccc1OC(C)C 743478867 DMQFOJCSHMBZGC-CQSZACIVSA-N 271.364 3.638 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cnc2ccccn12 740765842 WUHOJVNVVDVTFF-WAYWQWQTSA-N 268.341 3.600 30 20 CHED C[C@@H](CCCc1cccnc1)N[C@@H](C#N)c1ccccc1 595540881 SEYOPBBSSDHCKL-YJBOKZPZSA-N 279.387 3.647 30 20 CHED Cc1cc(C(=O)N2CCCc3cc(C#N)ccc32)c(C)s1 591005359 QSBIWAIZBHWJFL-UHFFFAOYSA-N 296.395 3.830 30 20 CHED C=CCN(C(=O)C=C(C1CC1)C1CC1)c1ccccc1 917635465 PXLYQJCTFSTGMS-UHFFFAOYSA-N 267.372 3.952 30 20 CHED C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)[C@@H](C)c1ccccc1 746815360 HVBYJULAJLQNDT-NLKYIXICSA-N 298.342 3.912 30 20 CHED Cc1ccccc1C1(NCc2ccc(CC#N)cc2)CC1 592139412 FKNAMCASTRWBRC-UHFFFAOYSA-N 276.383 3.840 30 20 CHED COc1cc(C#N)cc(Cl)c1OC[C@@H](CC(C)C)OC 842018949 JRZBPTSZDDQPHI-GFCCVEGCSA-N 297.782 3.660 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2scc(C)c2C#N)C1 596903851 LFKZXCISHAJTFK-GFCCVEGCSA-N 289.404 3.748 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)c1cc2ccccc2n1CC#N 590892064 RWRQYRJDACBWGU-CYBMUJFWSA-N 297.402 3.719 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(OC)c2)C12CCCC2 743432689 PQAAQVVSMRVQNW-MRXNPFEDSA-N 288.391 3.832 30 20 CHED C=CCOc1ccc(CN(C)CCC(C)C)cc1OC 678137718 TVCUSSVBCBDRCQ-UHFFFAOYSA-N 277.408 3.738 30 20 CHED Cc1cccc(C(C)(C)C/N=C\c2cccc(O)c2O)c1 745021951 VOTICSCEUVVESP-ODLFYWEKSA-N 283.371 3.803 30 20 CHED CCc1ccccc1NN=C(C)c1cccc(C#N)c1 915959809 RXNVYYIZRIQQMX-UHFFFAOYSA-N 263.344 3.957 30 20 CHED CCCCCC[C@@H](C)NN=C(C)c1cncc(F)c1 743450875 SIAAJTFTDAFYKU-GFCCVEGCSA-N 265.376 3.893 30 20 CHED CC1(C)C[C@@]1(C)NC(=O)N[C@@H](CCC#N)c1ccccc1 596504917 QSJMZYSERAIDIB-WMLDXEAASA-N 285.391 3.519 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCc1ccc(Cl)c(Cl)c1 847167024 HLDHSTXFJGQHLO-NSHDSACASA-N 299.201 3.687 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@H](N)[C@@H](C)C1 841858526 RFMFAIQCAFVEHR-HOTGVXAUSA-N 297.487 3.506 30 20 CHED C=CCOCCCC(=O)O[C@@H]1CCc2c(Cl)cccc21 744124948 LUZMUKWGNLRNKL-OAHLLOKOSA-N 294.778 3.853 30 20 CHED CC(C)(C#N)C[C@@H](O)CNC1CCC2(CCCCC2)CC1 598722760 ALESQIYGZZMBMI-MRXNPFEDSA-N 292.467 3.770 30 20 CHED Cc1csc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)c1C#N 598836421 IQODIJDRVPYYMH-JTQLQIEISA-N 298.367 3.504 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)N(CC#N)c1ccccc1 747652986 NYTHYGOBJVSRKO-CQSZACIVSA-N 296.345 3.561 30 20 CHED Cc1ccc(OC(=O)c2cccc(C#N)c2)c(Cl)c1 740795895 ZJCDPMLFRFDNHR-UHFFFAOYSA-N 271.703 3.739 30 20 CHED COc1cc(C)nc(NN=C2CC[C@H]3CCCC[C@@H]3C2)n1 747634313 DDZHCDMYYGCPSL-CHWSQXEVSA-N 288.395 3.552 30 20 CHED C[C@@H](CCC#N)N1CCC(c2ccc(F)c(F)c2)CC1 591013195 BUWYZFVJANWVHT-LBPRGKRZSA-N 278.346 3.836 30 20 CHED CCOc1cccc([C@@H](C)/N=C/c2ccccc2O)c1 745012587 MTTAIXHLPFYPSA-RNEAKCBISA-N 269.344 3.971 30 20 CHED CC[C@H](c1ccccc1)N(CC)C[C@@H](O)CC(C)(C)C#N 598587619 SUFFMTULGBUXQO-DLBZAZTESA-N 288.435 3.760 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C[C@@H]2CC=CCC2)c1 745006584 ZVGLUKFIXZDXFH-GFCCVEGCSA-N 291.395 3.763 30 20 CHED CC(C)(C)c1cccc(C(=O)OCCCSCC#N)c1 848839472 SIAUQBYLSZYWJT-UHFFFAOYSA-N 291.416 3.788 30 20 CHED Cc1ccc(F)cc1C(=O)O[C@H](C)c1ccc(C#N)cc1 748680338 PTXYUTDIZCHRFV-GFCCVEGCSA-N 283.302 3.924 30 20 CHED CCCCO[C@@H]1C[C@@H](/N=C\c2ccccc2O)C1(C)C 749008298 UVDKDDDNQJTAQQ-JFNRVDGVSA-N 275.392 3.795 30 20 CHED C#C[C@H](OC(=O)CC[C@@H](C)SC)c1ccc(F)cc1 842408339 UARWHKNMOCGILL-RISCZKNCSA-N 280.364 3.575 30 20 CHED O=C(O)Cc1ccc(NN=C2CCC[C@H](C3CC3)C2)cc1 848416088 YKHRHBGHQCPWMI-AWEZNQCLSA-N 286.375 3.682 30 20 CHED CCC(C[C@@H](C)CC)=NNc1nc(O)c2ccccc2n1 757588812 HEZOKFKCRANNRQ-NSHDSACASA-N 286.379 3.950 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NNc1cccc(C#N)c1 755626114 XUXYISPHVHWFAI-UHFFFAOYSA-N 295.390 3.573 30 20 CHED N#Cc1ccc(SCCC2SCCS2)cc1 853017017 ZJSQJWVOSFEEFC-UHFFFAOYSA-N 267.444 3.847 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C\c1ccc(C(C)(C)C)cc1 753428259 KUFXDWVKBIIAJM-QIENPNARSA-N 271.360 3.843 30 20 CHED C=CC[C@H](NC(=O)c1cccc2c1CCC2)c1ccncc1 750197093 XLIHAXDQBIRXKY-SFHVURJKSA-N 292.382 3.618 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(O)c(F)c1 755578516 FBYNGSRMTOSPBM-SOFGYWHQSA-N 256.276 3.736 30 20 CHED C=CCC1(NC(=O)[C@@H](F)c2ccccc2)CCCC1 855927572 TXTOQNMQVSVALL-AWEZNQCLSA-N 261.340 3.702 30 20 CHED C#CC[C@H](NC(=O)CC(C)(C)CC)c1ccccc1 757601280 YXDDPRAARDHEDW-HNNXBMFYSA-N 257.377 3.694 30 20 CHED C[C@@H]1C[C@H]1C=NNc1cccc(Br)c1 758374899 ZBHJFBSPFGSGCS-BDAKNGLRSA-N 253.143 3.503 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1ccc(F)cc1O 757474654 CUXRPPNGGPKOPY-QPJJXVBHSA-N 260.239 3.567 30 20 CHED C#CCCCC(=O)O[C@H](c1ccccc1)[C@H](C)N1CCCC1 851133438 UBAUFADGROBFSK-LPHOPBHVSA-N 299.414 3.559 30 20 CHED C#CCNC(=S)Nc1ccccc1Sc1ccccc1 758171762 IDUSILBAFONILN-UHFFFAOYSA-N 298.436 3.757 30 20 CHED N#CCCCOC(=O)Cc1csc2ccc(Cl)cc12 751848778 SOPUTUIBZGYTHV-UHFFFAOYSA-N 293.775 3.944 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)OC1(C#N)CCC1 753987350 AIFHNUTWCVPZIG-UONOGXRCSA-N 283.371 3.965 30 20 CHED CC(C)c1ccc2c(c1)CN(C(=O)C#CC(C)(C)C)CC2 855379477 QSJRWORNDMGTGE-UHFFFAOYSA-N 283.415 3.744 30 20 CHED C#C[C@](C)(CC)NC(=O)c1cc(Cl)c(F)cc1Cl 854704725 ZAMXDYOMKDOLOF-CYBMUJFWSA-N 288.149 3.664 30 20 CHED C=CCCOC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 758675151 QXCZTEPZEGJSBZ-UHFFFAOYSA-N 295.338 3.672 30 20 CHED Cc1cccnc1CC(=NOCC1CCC1)C(F)(F)F 853439674 OBPJHCLWMLSOHZ-UHFFFAOYSA-N 286.297 3.668 30 20 CHED CCc1cccc2c1OCC[C@H]2/N=C\c1ccccc1O 750949781 JFONABBIWYJIBA-BKAYVGFPSA-N 281.355 3.897 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(C)cc2OC)c1O 757530701 QWNWJNXWPXIPJM-UNOMPAQXSA-N 299.370 3.727 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 933828474 TWOPVCAHKGAVMT-UXLLHSPISA-N 287.403 3.577 30 20 CHED CCC(=NNc1cccc(F)c1Cl)[C@H]1CCOC1 863158959 XHDPYLBVEZHHFC-VIFPVBQESA-N 270.735 3.694 30 20 CHED CCSc1ccccc1CN1CCC[C@@H](C#N)C1 932151589 ZPPHGKPDQKRBKR-ZDUSSCGKSA-N 260.406 3.534 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(F)cc2O)cnc1Cl 760262155 BDVSKVKVFSHGLR-GORDUTHDSA-N 291.709 3.784 30 20 CHED C#CCCCCCC(=O)Nc1nccc2sccc12 763577508 JCSPWLNIGBUYFD-UHFFFAOYSA-N 272.373 3.819 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@H]1CCC[C@@H]1C 769314181 MDSLETWGFFPRAP-SWLSCSKDSA-N 271.360 3.736 30 20 CHED C[C@H](c1cccc(Br)c1)N1CCC[C@@H](C#N)C1 932157028 ARMWHMUPESPHTK-NEPJUHHUSA-N 293.208 3.746 30 20 CHED C#CCOc1ccc(CN(CC)Cc2cccs2)cc1 768196363 BTRXKKGCDAMJIK-UHFFFAOYSA-N 285.412 3.782 30 20 CHED C1CCC(C2CCC(=NN[C@H]3CCCOC3)CC2)CC1 766478406 PSQOCQFTMNFQFY-LWKPJOBUSA-N 278.440 3.882 30 20 CHED C[C@@H](c1ccncc1)N1CCC(c2ccc(C#N)cc2)CC1 933612122 DSQBKNWOXWLZRT-HNNXBMFYSA-N 291.398 3.894 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cc(C)n(C2CCCCC2)c1C 769644683 KVZXHGXEQGWAON-CYBMUJFWSA-N 286.419 3.704 30 20 CHED CC(=NNc1cnn(C)c1)c1ccc(SC(F)F)cc1 761880540 FAYRVIURGZMJDM-UHFFFAOYSA-N 296.346 3.571 30 20 CHED COc1ccsc1C(C)=NNCc1cccc(Cl)c1 769792323 HUDIHYZJFAOFRW-UHFFFAOYSA-N 294.807 3.924 30 20 CHED O=C1CCCN1N=Cc1ccc(-c2cccs2)cc1F 769589180 KCHRXPSPOQYYTH-UHFFFAOYSA-N 288.347 3.511 30 20 CHED C#CCCCCCC(=O)N1CC(C)(C)CC(C)(C)C1 767191076 NADHGVCGMWISGZ-UHFFFAOYSA-N 263.425 3.855 30 20 CHED CC(C)(C#N)COC(=O)CC(C1CCC1)C1CCC1 860645828 VOWZSPFLEJZBSP-UHFFFAOYSA-N 263.381 3.686 30 20 CHED C[C@@H](CC(=O)OCCCCC(C)(C)C#N)C1CC1 768644430 SUPFRTNIHKRSLF-LBPRGKRZSA-N 251.370 3.686 30 20 CHED FC(F)C1CC(=NNc2nc3ccccc3s2)C1 766008413 GWNZCJMDZXYVMS-UHFFFAOYSA-N 267.304 3.739 30 20 CHED CC(C)=CCC[C@@H](C)CC=NOC1CCOCC1 774457677 LQMCHVPVPBFEQF-CQSZACIVSA-N 253.386 3.940 30 20 CHED C#CCCN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 770043506 GWZXDILNABGELV-NSHDSACASA-N 279.664 3.695 30 20 CHED N#Cc1ccc(C=NNc2ccc(Cl)c(F)c2)c(F)c1 772844709 KYLHCRPIYDANSZ-UHFFFAOYSA-N 291.688 3.936 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2cc[nH]n2)c1 878190202 KCNBCSGAWYHBQE-UHFFFAOYSA-N 269.348 3.618 30 20 CHED CC(C)Oc1ccccc1C=NNCc1ccc(F)cc1 1116289465 XNCGSJOBTMVYOO-UHFFFAOYSA-N 286.350 3.737 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CCO[C@H]1C 770689244 PMVBVKUFGWZUPO-KKUMJFAQSA-N 269.429 3.524 30 20 CHED CCC[C@H](C(=O)[C@H](C#N)c1nccn1CC)c1ccccc1 1123234179 RNIXMRPYMQQQGQ-HOTGVXAUSA-N 295.386 3.663 30 20 CHED CCCCCCCCNC(=O)C[C@H](O)c1cccc(F)c1 772820801 DBLIDWSUELKDAH-INIZCTEOSA-N 295.398 3.726 30 20 CHED COc1cc(/C=C\C(=O)C2CCCCC2)ccc1[N+](=O)[O-] 770571497 SJTVIEGGBQHVOT-NTMALXAHSA-N 289.331 3.766 30 20 CHED Clc1ccnc(NN=Cc2cccc3cccnc23)c1 777905361 HYGQGBUFFUGDHO-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N1CCC2(CCCC2)C1 1121536940 ROGXXTWEZTYBHB-UHFFFAOYSA-N 298.434 3.668 30 20 CHED C#CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 775404084 LVFVJWXIXYVPJR-QGZVFWFLSA-N 298.317 3.588 30 20 CHED N#C[C@@H](OC(=O)Cn1ccc2ccccc21)C1CCCCC1 776379834 BKBQORBJNBVVTP-QGZVFWFLSA-N 296.370 3.657 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(c2ccc(C#N)cc2)CC1 887696158 OOCAZTMJIDVQBP-HNNXBMFYSA-N 296.414 3.867 30 20 CHED C=C1CCC(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 889941460 VXLJEOZHTLVTNS-WMLDXEAASA-N 284.403 3.738 30 20 CHED C=C1CCC(C(=O)Nc2cccc(C#N)c2C)CC1 889638266 WFEMDVPHQDOOAS-UHFFFAOYSA-N 254.333 3.552 30 20 CHED CC[C@@H](Nc1cc(C#N)nc(C)n1)c1ccc(Cl)s1 882061884 UCLAZPGGWLYWJM-SNVBAGLBSA-N 292.795 3.935 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)[C@H]1c1ccccc1 780591427 KQMTVWSAVZZTSN-YJBOKZPZSA-N 269.388 3.790 30 20 CHED CC1(C)CCCC[C@H]1C(=O)OCc1cc(C#N)ccc1F 1126764368 SBOFMKSDRBAJJG-AWEZNQCLSA-N 289.350 3.957 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C(\C)C(C)(C)C 787939489 ZTSGRRABZNEQOK-OUKQBFOZSA-N 264.413 3.910 30 20 CHED COc1cccc(CC(C)=NNc2ccc(F)cc2C)n1 782907580 IGXAHVPXOCOSOT-UHFFFAOYSA-N 287.338 3.568 30 20 CHED C#CCCCCN[C@@H]1CCc2sc(Br)cc21 390470746 BUIJWMRZDFYCGP-LLVKDONJSA-N 298.249 3.891 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1CCN1C(C)(C)C 897669374 RYLDJSDTPPXLLR-MRXNPFEDSA-N 286.419 3.617 30 20 CHED C[C@@H](C#N)OCCNc1ccc(OCc2ccccc2)cc1 390782600 SGEIGPWFRSQEFM-HNNXBMFYSA-N 296.370 3.606 30 20 CHED COc1cc(C=NNCCC(C)(C)C)ccc1SC 782907631 LDKQUWWNIINLJC-UHFFFAOYSA-N 280.437 3.777 30 20 CHED Cc1cc(CNc2ccc(Cl)nc2C)ccc1C#N 788404364 PJLIXABHQZWOKU-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C#C[C@@H](NC(=O)c1cc(SC)ccc1Cl)C(C)(C)C 702228312 MURVHAWVPMVOAE-CYBMUJFWSA-N 295.835 3.840 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc2c(s1)CCC2 104626729 QTKNVPLBAUOWMV-UHFFFAOYSA-N 290.432 3.639 30 20 CHED C=CCOCCN(C)[C@@H](C)c1cccc(Cl)c1 549366959 DHOWGFBJSPWPFK-LBPRGKRZSA-N 253.773 3.535 30 20 CHED CC1(CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797567223 ZYWNVMKZDXMWOS-SNVBAGLBSA-N 276.405 3.807 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1csc(C2CC2)n1 799444043 HSGXTDBBGNXHJX-UHFFFAOYSA-N 298.367 3.674 30 20 CHED O=C1/C(=C\c2ccccc2[N+](=O)[O-])CCc2ccc(O)cc21 794960413 RPNUIJYWEIOWNV-LCYFTJDESA-N 295.294 3.513 30 20 CHED CCC[C@@H](Nc1nccc(C)c1C#N)[C@@H](O)c1ccccc1 795210655 XBAWPVHVTOQIQC-SJORKVTESA-N 295.386 3.576 30 20 CHED CSCCON=Cc1ccc(F)c(C(F)(F)F)c1 794574564 JODNNXAYYGQDET-UHFFFAOYSA-N 281.274 3.558 30 20 CHED Oc1cccc(/C=N\[C@@H]2C[C@H]2c2cccc(Cl)c2)c1O 797784162 RZNLUBJMAJAHHN-GTVOTKMRSA-N 287.746 3.726 30 20 CHED C#CCC1(C(=O)Nc2ccc(Cl)nc2C)CCCCC1 790252224 KNOOMQDNUFKBCV-UHFFFAOYSA-N 290.794 3.956 30 20 CHED Cc1cccnc1NN=Cc1coc2ccccc12 790187024 SJMLFQBRCZLBIR-UHFFFAOYSA-N 251.289 3.582 30 20 CHED Cc1cc(Cl)nc(CNc2cccc(F)c2C#N)c1 799965634 QMMDGAJFPWZYTI-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CCNN=Cc1c(-c2ccccc2)[nH]c2ccccc12 794999981 VVUZMUOVWJUULF-UHFFFAOYSA-N 275.355 3.944 30 20 CHED COCc1cc(C=NNc2ccc(C(C)(C)C)cc2)no1 794928235 CVCUMLUSPNFOFT-UHFFFAOYSA-N 287.363 3.565 30 20 CHED C#C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(C)C 798343498 IBGPBJZPYCUIGV-VQZCYCSMSA-N 270.159 3.776 30 20 CHED Cc1ccsc1C(=O)/C=C\c1c(F)ccc(O)c1F 794942152 JEUCMJMXLGHJID-RQOWECAXSA-N 280.295 3.936 30 20 CHED COC(=O)c1csc(C(=O)/C=C\c2ccc(C)s2)c1 794723517 HFIUZVATKFKMKI-WAYWQWQTSA-N 292.381 3.801 30 20 CHED CC[C@@H](C)NN=Cc1ccc(SC(F)F)cc1 790189575 JZBLBGIUUMFQIU-SECBINFHSA-N 258.337 3.723 30 20 CHED CCCCCCCCNC(=O)N1CCCC[C@@H]1C[C@@H](C)O 790792436 DLFQKNJZTRZXHB-HZPDHXFCSA-N 298.471 3.682 30 20 CHED C[C@]1(CNc2ccc(C#N)c(C(F)(F)F)c2)CCCO1 94802854 JHBLIQJIBDATNK-CYBMUJFWSA-N 284.281 3.558 30 20 CHED N#Cc1csc(CNCc2cccc(Cl)c2F)c1 1318920577 NIBWHTXORZHBGG-UHFFFAOYSA-N 280.755 3.702 30 20 CHED Cc1cc(F)ccc1N(CCF)Cc1cccc(C#N)c1 1167852093 LSRJCGLEWSJZFT-UHFFFAOYSA-N 286.325 3.982 30 20 CHED CCC1(CNc2c(Br)cccc2C#N)CC1 1639562717 UOJAWYZJLYBFGA-UHFFFAOYSA-N 279.181 3.923 30 20 CHED CN(Cc1ccccc1)c1nc(C(C)(C)C)ccc1C#N 1611728166 LOYJTDAQBDQRKG-UHFFFAOYSA-N 279.387 3.887 30 20 CHED COCCC1(C=NNCc2ccc(F)cc2)CCCCC1 1320796211 ASVWOBKCPHHHGW-UHFFFAOYSA-N 292.398 3.888 30 20 CHED N#Cc1ccc(C(=O)Nc2ccn(C3CCCCC3)n2)cc1 1320813974 ZLMGHNSNSZRXFZ-UHFFFAOYSA-N 294.358 3.512 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1nc(-c2ccccc2)cs1 1320306183 NIHQMGHDLUBDDH-GXTWGEPZSA-N 288.416 3.662 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 1324823950 IUCQMDCRECXRKD-KRWDZBQOSA-N 270.420 3.827 30 20 CHED CC(C)Cc1ccc(C(=O)OCc2ccc(C#N)cn2)cc1 1255868341 SZMRMMLLIDDZAS-UHFFFAOYSA-N 294.354 3.509 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C#N)C1CCCC1 1331541784 XVDFZAMTUDSBKS-PBHICJAKSA-N 284.403 3.687 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C)cnc1Br 1337638794 GOTZZKIJOHBRCC-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C=CC[C@@H](c1ccccc1)c1nnc(N2CCCCC2)n1C 1338641040 GQDLTZHQCDQOOY-INIZCTEOSA-N 296.418 3.513 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@@H](C(F)(F)F)CC[C@H]2C)n1 1339649432 PEEXQEDJKDKEAB-NEPJUHHUSA-N 297.324 3.737 30 20 CHED CCC1(CC)[C@@H](Nc2nc(C#N)c(Cl)s2)C[C@H]1OC 1185897504 DSSYUBFAANFBAI-VHSXEESVSA-N 299.827 3.674 30 20 CHED CCOc1ccc2ccccc2c1C(=O)O[C@@H](C)CC#N 1343980176 SQRDFFQVAPHHJR-LBPRGKRZSA-N 283.327 3.697 30 20 CHED C/C(=C/C(=O)O[C@@H](CC#N)c1ccco1)C(C)(C)C 1346706170 HHQFMDBYUFWGAV-OEYXZAGESA-N 261.321 3.770 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1Nc1cnn(Cc2cccnc2)c1 1346858389 HJIMLHSKPIVDHS-AEFFLSMTSA-N 296.418 3.873 30 20 CHED Cc1ccc([C@H](C)NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1264438622 VMMJZSMRTONHER-YJBOKZPZSA-N 292.382 3.870 30 20 CHED Cc1ccc(O[C@H](C)C(=O)O[C@H](CC#N)c2ccco2)cc1 1350312304 SQERKEJNIUDODG-CZUORRHYSA-N 299.326 3.554 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(C#N)ccc2C)s1 1355621098 MBCZCSVUCRRHSE-UHFFFAOYSA-N 295.367 3.615 30 20 CHED Cc1cc(S[C@H](C)c2ncccn2)ccc1C#N 1459140754 GZZVKYDWBUORTJ-LLVKDONJSA-N 255.346 3.510 30 20 CHED Cc1cc(Nc2ccc(OC(C)C)cc2)ncc1C#N 1458105044 AEEUJSJLNVABEF-UHFFFAOYSA-N 267.332 3.793 30 20 CHED C=C(Cl)CNCc1ccc(OC)c(OCCC(C)C)c1 1461233096 TWXDDFZSXIMIAG-UHFFFAOYSA-N 297.826 3.962 30 20 CHED CC(C)(C)CSCc1cccc(C(=O)O)c1C#N 1603337910 WXUWDMPBIPMTLH-UHFFFAOYSA-N 263.362 3.536 30 20 CHED CCO[C@H]1C[C@@H](Nc2cc(F)cc(C#N)c2)C12CCCC2 1474666696 ROJIBVPVGMEJMW-CVEARBPZSA-N 288.366 3.847 30 20 CHED CCOCc1cccc(NC(=O)c2ccccc2CC#N)c1 1611010962 BHTXUKPHNWHDEM-UHFFFAOYSA-N 294.354 3.541 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1cc(F)c(C#N)c(F)c1 1621471841 POVGOTPFVKCCAT-GFCCVEGCSA-N 294.345 3.925 30 20 CHED C=CCCOCCNc1ccc(C(F)(F)F)cc1C#N 229869583 LVNUXGQRPMTOHV-UHFFFAOYSA-N 284.281 3.582 30 20 CHED Cc1ccc2oc(CNc3cc(C)c(C#N)cn3)cc2c1 1640160997 GFWOZAVYRMPMOY-UHFFFAOYSA-N 277.327 3.928 30 20 CHED CC(C)(C)C[C@H]1CCN(Cc2cc(C#N)ccn2)C1(C)C 1646129269 FFUUSVPUXRDUPM-OAHLLOKOSA-N 285.435 3.990 30 20 CHED CO[C@]1(C)C[C@@H](N(C)CCC2(C#N)CCCCC2)C1(C)C 1644690613 HPYBRORSQPSCCB-NVXWUHKLSA-N 292.467 3.986 30 20 CHED C[C@H]1Cc2cc(CN(C)Cc3ccc(C#N)cc3)ccc2O1 1657420900 JAGUREBYJLSXAE-AWEZNQCLSA-N 292.382 3.514 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)c(C2CC2)n1 1583534136 DIQAUJXLJGMSMX-UHFFFAOYSA-N 295.317 3.531 30 20 CHED CCc1ccc(/C=C2\COc3ccccc3C2=O)cc1 3280514 MLGBWUFXOWXUNS-RVDMUPIBSA-N 264.324 3.908 30 20 CHED C=CCN(CCC(C)(C)CC(=O)O)Cc1cccc(F)c1 1776178815 KEWYLWUITMHGDD-UHFFFAOYSA-N 293.382 3.705 30 20 CHED C[C@@H]1/C(=C/c2ccc(C(=O)O)c(F)c2)C(=O)c2ccccc21 1777407804 HBVBFDAKFGFMNO-SOOGHKCXSA-N 296.297 3.907 30 20 CHED CSc1ccc(C(=O)Nc2ccc(OCC#N)cc2)cc1 18830540 JXVIWXDURSXKAO-UHFFFAOYSA-N 298.367 3.563 30 20 CHED CCOc1ccc(NCc2cc(C#N)ccc2OC)c(C)c1 151908855 WCMITJNRGWVHFI-UHFFFAOYSA-N 296.370 3.886 30 20 CHED CCN(C(=O)c1cc(C)ccc1C)c1ccc(C#N)cc1 151948288 AWBGPBOPRPRRGA-UHFFFAOYSA-N 278.355 3.842 30 20 CHED CCn1c(-c2cc(F)c(O)c(F)c2)nc2cc(C#N)ccc21 155098142 MBDWNXXXLSWZOW-UHFFFAOYSA-N 299.280 3.579 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2Cc2cccc(C#N)c2)C1 104131541 OOVNEMIHTPHWLV-FUHWJXTLSA-N 268.404 3.959 30 20 CHED N#Cc1ccsc1NC(=O)C1C[C@H]2CCC[C@H](C1)C2 1320916221 AZDARWOIVBMSLJ-QWRGUYRKSA-N 274.389 3.775 30 20 CHED C#Cc1cccc(N[C@H](C)Cc2ccccc2OC)c1 37185187 HLMFWUODUSPSMG-CQSZACIVSA-N 265.356 3.720 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1F 37488224 GDBBVRGISRJJRC-GFCCVEGCSA-N 254.308 3.548 30 20 CHED CN(Cc1cccc(F)c1)c1cccc(Cl)c1C#N 48936009 MNBGDLDRXFMTKA-UHFFFAOYSA-N 274.726 3.987 30 20 CHED Cc1c(C(=O)N(C)C[C@@H](C)C#N)sc2cccc(F)c12 49425027 CWAVWVCRQIFNRS-VIFPVBQESA-N 290.363 3.581 30 20 CHED N#CCOc1cccc(NCc2ccsc2Cl)c1 312550750 DGNHMBPHVFIXGZ-UHFFFAOYSA-N 278.764 3.916 30 20 CHED C#C[C@](C)(CC)NC(=O)c1cc(F)c(Cl)cc1Cl 700579440 FQABUWMOPZYKJM-CYBMUJFWSA-N 288.149 3.664 30 20 CHED C#CCCCCC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 710321061 ZSEIJPCEYWXAEZ-GJZGRUSLSA-N 263.425 3.901 30 20 CHED C[C@H](CSC(C)(C)C)NCC(C)(C)CCC#N 806177779 JMGFOTXPPUTFIK-GFCCVEGCSA-N 256.459 3.826 30 20 CHED N#Cc1cc(Cl)cc(OCCCOCC(F)(F)F)c1 388332395 SDEHEPGNTKFRAD-UHFFFAOYSA-N 293.672 3.559 30 20 CHED c1ccc2c(c1)oc1c(NN=C3CCCC3)ncnc12 7901534 ZRJLDRPHLRGHRY-UHFFFAOYSA-N 266.304 3.718 30 20 CHED CC[C@@H](C#N)NC(=O)CC(c1ccccc1)c1ccccc1 102351129 ZNHDLKZXFOJAHH-KRWDZBQOSA-N 292.382 3.627 30 20 CHED N#Cc1cn(Cc2ccccc2Cl)c2ccccc2c1=O 57740361 KITYRVOLZIBSKY-UHFFFAOYSA-N 294.741 3.575 30 20 CHED CCCC[C@@H](CC)/C(O)=N/S(=O)(=O)C1CCCCC1 58078399 XUNUMFQAQQBAHL-GFCCVEGCSA-N 289.441 3.822 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1Br 281167670 XJIDTELERWLKOS-SNVBAGLBSA-N 282.181 3.534 30 20 CHED N#C[C@@H](NC(=O)CC1CCCCC1)c1ccc(Cl)cc1 106419928 WHWNHNMZQPBVHM-OAHLLOKOSA-N 290.794 3.991 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2CCCc3ccccc32)c1 53955283 UEDHOUWSZGINPY-QGZVFWFLSA-N 291.354 3.757 30 20 CHED COCCOc1ccc(/C=C/C(=O)c2cccs2)cc1 107099017 HHZIOVFBFVJOAL-RMKNXTFCSA-N 288.368 3.669 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 176981230 DFDAXPOMAKCDIZ-LBPRGKRZSA-N 288.347 3.540 30 20 CHED Cc1ccc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 22528559 AWSOOXSXGBKODU-CJNGLKHVSA-N 290.432 3.530 30 20 CHED C/C(=C\C(=O)O[C@@H](C#N)C(C)C)c1ccccc1Cl 176788044 SWJSBOZKLWBNLX-ZHZWZMEUSA-N 277.751 3.835 30 20 CHED C=CC1CCN(C(=O)[C@H](C)c2cc3ccccc3o2)CC1 176355680 PYJOZZBRDRNSFW-CYBMUJFWSA-N 283.371 3.961 30 20 CHED C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(C#N)cc1 179893732 IZKPSIXHUPASJT-CYBMUJFWSA-N 293.370 3.560 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2cnn(C(C)C)c2c1 172103440 KBWKBCMMGQLKMP-LBPRGKRZSA-N 286.379 3.703 30 20 CHED C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 173925066 LOFIIFKBZXZSDZ-VKJFTORMSA-N 286.419 3.804 30 20 CHED C#CCSCCNc1ncc(-c2ccccc2)s1 301541416 JZUPIIWMKAPPFI-UHFFFAOYSA-N 274.414 3.588 30 20 CHED C=C(C)CN(C)c1nc(C(F)F)nc2ccccc12 302047329 NRPFGKAPBMYPHR-UHFFFAOYSA-N 263.291 3.580 30 20 CHED CC1CCC(=CC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 114635842 LEMHFZPDPMFMHU-KZUDCZAMSA-N 282.387 3.872 30 20 CHED CC(C)(C)C1CCC(=CC(=O)NCCCCC#N)CC1 178078009 FNJYIYYPNCPSQQ-UHFFFAOYSA-N 276.424 3.959 30 20 CHED COc1ccc(CN(c2cccc(F)c2C#N)C2CC2)cc1 71802161 IHIUUVRCLPWFEX-UHFFFAOYSA-N 296.345 3.875 30 20 CHED C=CCCCC(=O)N[C@](C)(c1ccccc1)C(F)(F)F 504541151 YYUGGZOVBPUHDR-CQSZACIVSA-N 285.309 3.937 30 20 CHED CN(Cc1ccc(F)c(F)c1)c1ccc(F)cc1C#N 301360420 LVJHIQKAUHDBDG-UHFFFAOYSA-N 276.261 3.612 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2C)CC1 172314932 SLJMMDGSBILSAW-CQSZACIVSA-N 285.391 3.911 30 20 CHED Cc1c(C#N)cccc1NC(=O)Cc1ccc(Cl)cc1 178391870 KHIBDYMBGXYPPQ-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C=CCCCC(=O)OCc1ccc(OC(F)F)cc1 174915019 KXXZRGAFNNSVIV-UHFFFAOYSA-N 270.275 3.688 30 20 CHED CCCN(CCc1scnc1C)Cc1ccc(C#N)cc1 172527236 RFGQNNQBQYCJRR-UHFFFAOYSA-N 299.443 3.778 30 20 CHED N#CC1(C(=O)NCCc2ccc3ccccc3c2)CCCC1 27648552 PAWWCEZJLDFXTI-UHFFFAOYSA-N 292.382 3.582 30 20 CHED CCC(CC)C(=O)Nc1ccc(C#N)c(Br)c1 302678676 OSVVQGGUGUPCND-UHFFFAOYSA-N 295.180 3.695 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N(CC)C[C@@H](C)C#N 110634549 SDFCPBNWOJFXQB-DZGCQCFKSA-N 290.432 3.565 30 20 CHED C=CCCCC(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C 175950268 HWFIOBKLJZIFTQ-WBVHZDCISA-N 287.403 3.640 30 20 CHED CCC(CC)S(=O)(=O)/N=C(\O)CC1CCCCCC1 79153377 KMYMFLKQVCKTFJ-UHFFFAOYSA-N 289.441 3.822 30 20 CHED C[C@@H](CC(=O)N(CC#N)C1CCCC1)c1cccc(F)c1 78207603 ACFGETXDRGVVPS-ZDUSSCGKSA-N 288.366 3.614 30 20 CHED C#CCCCNC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 174086124 CNJFZNGDJFWEPO-AWEZNQCLSA-N 298.386 3.939 30 20 CHED C[C@H](NCCCCC#N)c1cccc(OC(F)F)c1 178644327 LVFQJXXSGKEBFY-NSHDSACASA-N 268.307 3.632 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)c1cccs1 121580949 RPCGDNNOXVPATG-GFCCVEGCSA-N 278.421 3.830 30 20 CHED C=C(C)[C@H](NCc1cncn1CC)c1ccc(F)c(F)c1 418005825 LLVBEBQZSFVXID-INIZCTEOSA-N 291.345 3.588 30 20 CHED N#Cc1ccc(N2CC=C(c3ccc(Cl)cc3)CC2)cn1 301592902 UPKWRVJXDSBACN-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1nnc(-c2cccs2)o1 78431503 SDLNSYUDAVQTIY-SNVBAGLBSA-N 297.339 3.810 30 20 CHED Cc1csc(-c2ccc(Nc3nccnc3C#N)cc2)n1 301153779 FEJSJUIYWMDTIC-UHFFFAOYSA-N 293.355 3.524 30 20 CHED N#Cc1cccc(CNc2cccc(C3CCC3)c2)n1 602673750 BYGKRVQIYRLHPM-UHFFFAOYSA-N 263.344 3.833 30 20 CHED N#Cc1ccccc1CNc1ccccc1OCC(F)F 124238533 MAOPPZDEOAUNPS-UHFFFAOYSA-N 288.297 3.814 30 20 CHED CC[C@H](C)N(C(=O)c1cc(C#N)cs1)[C@H](C)CC 184941459 WTJPUJFDBLMIRF-PHIMTYICSA-N 264.394 3.659 30 20 CHED Cc1cccc2c(CCN[C@@H]3CCC[C@H](C#N)C3)c[nH]c12 185840918 QUWXGFQBWDGVHD-GOEBONIOSA-N 281.403 3.691 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)cc2)c(OC)c1 33389038 FRCWAQMDSSPPFN-YHYXMXQVSA-N 286.302 3.739 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2c[nH]c3ccccc23)o1 127074516 JRFPLQPMAAVBSX-VIFPVBQESA-N 284.344 3.612 30 20 CHED Cc1ccc(C/C(O)=N/c2nc(-c3ccco3)n[nH]2)cc1C 73973125 NYAHXHHQFSQMOY-UHFFFAOYSA-N 296.330 3.512 30 20 CHED Cc1ccc(C(C)(C)C)cc1[S@](=O)CCCC#N 123319325 DULWHSYIWCMYBV-SFHVURJKSA-N 263.406 3.704 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)C1 181423670 NIQYMHFWKFDWOD-DOTOQJQBSA-N 286.419 3.930 30 20 CHED CN(CCc1ccccc1O)CCC1(C#N)CCCCC1 411511262 IIMACEKSKHACNZ-UHFFFAOYSA-N 286.419 3.731 30 20 CHED C=C[C@H]1CCCCN1Cc1ccccc1OC(F)F 489412822 XJGIFUWDNSKXRG-ZDUSSCGKSA-N 267.319 3.829 30 20 CHED COc1cc(C(=O)/C=C\c2cc(C)ccc2C)ccc1O 33474380 XXYKJCVMSBNMFH-VURMDHGXSA-N 282.339 3.914 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C[C@H]1C=CCCC1 189027318 GMJBMZGKMKPQEO-KGLIPLIRSA-N 284.359 3.662 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(Cl)cc1 120216693 GPHRYGOFEMSPRE-NWDGAFQWSA-N 282.767 3.925 30 20 CHED CCN(C(=O)c1oc(C(C)C)nc1C)c1ccc(C#N)cc1 410527607 QNHWJVNULNGWQX-UHFFFAOYSA-N 297.358 3.645 30 20 CHED C=CCC[C@H](C(=O)NCC1CCC1)c1ccccc1 186644864 FZZKYOKBRVHMBD-INIZCTEOSA-N 257.377 3.653 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1cccc(C(F)F)c1 187404790 BTHSDSBBUOKQMR-UHFFFAOYSA-N 290.244 3.887 30 20 CHED C=CCCCN1CC2(CCOCC2)[C@H]1c1ccccc1 411996987 HQGIZRURUYAXCC-QGZVFWFLSA-N 271.404 3.806 30 20 CHED C#CCC(C)(C)C(=O)N1CCc2c1cccc2C(F)(F)F 186058285 INZGVHJVYDVTCR-UHFFFAOYSA-N 295.304 3.644 30 20 CHED CCCN(CCCSCC#N)CCc1cccs1 184511228 MNPIPITXFWTFOA-UHFFFAOYSA-N 282.478 3.649 30 20 CHED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1cncc(F)c1 78023070 JYTKTVKQDMUEMT-JHMJBTLWSA-N 298.273 3.581 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)CCc2ccc(C#N)cc2)C1 129351274 AEIIEJLOARLRAV-WMLDXEAASA-N 284.403 3.576 30 20 CHED CC#CCCNCc1ccc(OCc2ccccc2)cc1 158301564 MUKHBGGAZAXZQC-UHFFFAOYSA-N 279.383 3.769 30 20 CHED CC[C@@H]1CCCN(C(C)(C)CN[C@@H]2CCC[C@H](C#N)C2)C1 185826177 IAWMDQLNEDZWFG-IXDOHACOSA-N 291.483 3.559 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@@](C)(CC)C1 508504319 JXPJFKUPUCNABX-GOSISDBHSA-N 296.418 3.758 30 20 CHED N#CC1(CC[S@](=O)c2ncccc2Cl)CCCCC1 414227066 CKNTWPBVKSOPCP-IBGZPJMESA-N 296.823 3.707 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cc(F)cc(Cl)c1 189439351 KLUXLIHRESDQTH-CQSZACIVSA-N 285.746 3.646 30 20 CHED CC(C)c1nc(CC/N=C(/O)C2CCC(=O)CC2)cs1 329806440 NXHRKPRHRXWGRD-UHFFFAOYSA-N 294.420 3.525 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCc1ccc2ccccc2c1 410826827 JFXRENRKYXEQJW-GOSISDBHSA-N 294.398 3.923 30 20 CHED N#Cc1ccc(NC(=O)C2CCCCCCC2)cc1 86579626 ZBIFNUGJNOCGGS-UHFFFAOYSA-N 256.349 3.857 30 20 CHED Cc1cccc(OCCN[C@@H](C)c2cccc(C#N)c2)c1 42895670 ZZZPNAIAWDWJDX-HNNXBMFYSA-N 280.371 3.596 30 20 CHED CC1(C/C(O)=N/Cc2noc(C3CC3)n2)CCCCC1 328940138 HLTSKJMKLHWGOX-UHFFFAOYSA-N 277.368 3.764 30 20 CHED N#Cc1ccccc1CN[C@H](c1ccccc1)C1CC1 192509789 IJGVSOJDRYKBGS-GOSISDBHSA-N 262.356 3.799 30 20 CHED Cn1nccc1/C=C1/Cc2cc(Cl)cc(Cl)c2C1=O 132342760 XFUHGPCJTQGHDF-TWGQIWQCSA-N 293.153 3.549 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[C@H](C)CC1 425675378 CKHRKQDQMQRUKH-ZQIUZPCESA-N 299.418 3.839 30 20 CHED Cc1noc(C2CC2)c1N=C(O)c1ccnc(C2CC2)c1 329637613 AKJGGBVMWXOLPU-UHFFFAOYSA-N 283.331 3.769 30 20 CHED Cc1cccc2c1CN(Cc1cc(F)ccc1C#N)CC2 429595530 KBBKCULEWMMXLW-UHFFFAOYSA-N 280.346 3.564 30 20 CHED N#Cc1cccc(NC(=O)c2sccc2Cl)c1 82338557 DZEAPBLZLKMFSJ-UHFFFAOYSA-N 262.721 3.525 30 20 CHED N#Cc1ccc(NC(=O)NC2(C(F)F)CCCCC2)cc1 513542485 DPMTZSKFYXVQAF-UHFFFAOYSA-N 293.317 3.648 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](O)CC(C)(C)C2)CCCCC1 335040095 CMRJPZRWFQOMJE-OAHLLOKOSA-N 293.451 3.523 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1cc(C#N)cs1 84078300 UBFNQBKUHNQYIG-UHFFFAOYSA-N 286.356 3.659 30 20 CHED CCN(C(=O)[C@@H]1CC12CCCCC2)c1ccc(C#N)cc1 510411722 GLJBDGQEDPEXID-INIZCTEOSA-N 282.387 3.882 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CCC[C@H](C#N)C1 193293395 ZCJIRXHTBIOXNB-USXIJHARSA-N 298.430 3.787 30 20 CHED N#Cc1ccc(NCc2cnc(-c3ccco3)s2)cc1 192756393 ANSZYQKPSVGKDM-UHFFFAOYSA-N 281.340 3.887 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)CC1 421959020 JRSRDVQCGGLDFJ-LBPRGKRZSA-N 289.341 3.924 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)cc1 429234193 OKJSKWMCTWUGPW-DZGCQCFKSA-N 273.376 3.512 30 20 CHED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccccc1 96891317 UUVWSMQIWNYWHD-QXMHVHEDSA-N 274.323 3.768 30 20 CHED CCN(Cc1ccc(OC)c2ccccc12)C[C@H](C)C#N 91984167 HUWPPRGXWFLZCG-CQSZACIVSA-N 282.387 3.830 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)c1c(F)cncc1F 334449017 JMANIRMOGDSPBV-QMMMGPOBSA-N 277.249 3.544 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H]2F)c(C(F)(F)F)c1 339589705 JFSBOGYTANJOFD-CHWSQXEVSA-N 286.272 3.557 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2c2cccc(F)c2)c(F)c1 334585551 IMOGMXFWLWANDP-OAHLLOKOSA-N 285.297 3.573 30 20 CHED C=CCCCN(C)C(=O)C/C=C\c1ccccc1F 426298270 JVWHKIAIMDWIJT-NTMALXAHSA-N 261.340 3.654 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1ccc(F)cc1C#N 97036469 XUUYGUWOSHBPOI-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1/N=C(/O)C(=O)c1ccc(O)cc1 331245259 RJPMTUMHQUKNJH-RISCZKNCSA-N 289.375 3.746 30 20 CHED N#CCc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1 237835311 PGCYBFJJOYOXGQ-UHFFFAOYSA-N 288.354 3.550 30 20 CHED CC[C@H](C)n1ncc(N=C(O)NC2(C)CCCC2)c1C 331148388 SZKVRYDJFPMSFG-NSHDSACASA-N 278.400 3.630 30 20 CHED CCc1ccc(N/C(O)=N/[C@H](C)C2CCOCC2)cc1C 330613526 YYJNHUCUXKEQOK-CYBMUJFWSA-N 290.407 3.698 30 20 CHED Cc1c[nH]cc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430594117 JUJWUFOBBZEIOG-SNVBAGLBSA-N 287.388 3.567 30 20 CHED N#Cc1cccc(C#N)c1Sc1ccc(F)cc1F 436273002 IDQAECOVEARDCL-UHFFFAOYSA-N 272.279 3.859 30 20 CHED C=C(C)COC(=O)c1csc(-c2ccc(F)cc2)n1 96995989 MRDRURSQSCIKRH-UHFFFAOYSA-N 277.320 3.682 30 20 CHED Cc1cccc(C(=O)Nc2scc(C)c2C#N)c1F 335141504 KAXQNRGAOOMVSS-UHFFFAOYSA-N 274.320 3.628 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N1CCC(CC#N)CC1 336263744 MDQLRCXRECTXAQ-LLVKDONJSA-N 264.319 3.651 30 20 CHED C=CCOc1ccccc1C(=O)NCCc1ccc(C)cc1 523869526 JDMJYTJUNVOCFD-UHFFFAOYSA-N 295.382 3.532 30 20 CHED C[C@H](CC#N)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 245906657 HZFOWZDYKQGTNJ-ZHAHWJHGSA-N 297.185 3.515 30 20 CHED CSc1ccc([C@H](C)NCC2(CC#N)CC2)cc1F 348356878 NQVKCVGEFQBQMN-NSHDSACASA-N 278.396 3.892 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 246092803 NOVOBXBAWJZVQB-HALDLXJZSA-N 299.418 3.524 30 20 CHED Cc1ccc2c(c1)N(Cc1cccc(C#N)c1)CCC2 609540697 JMCFFQAVELXSFT-UHFFFAOYSA-N 262.356 3.820 30 20 CHED CCO[C@H](CCNC[C@H](C)CCC#N)C1CCCC1 602562394 BASUDYOXOWZDET-GDBMZVCRSA-N 266.429 3.501 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2ccc(CC#N)cc2Cl)[C@H]1C1CC1 529432506 ALOQEFCVUXJAKI-AMFBXLIHSA-N 288.778 3.637 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1ccccc1CC#N 600990659 FEIYINKXFPYNKT-UHFFFAOYSA-N 292.382 3.723 30 20 CHED C=C[C@H](Cc1nc([C@H]2CC[C@H](C)O2)no1)c1ccccc1 528245728 WBHHNVFZRWTHRP-GZBFAFLISA-N 284.359 3.822 30 20 CHED C=CCCCC[C@@H](C)NCc1nccn1C(F)F 345128752 HQWLGRADXLDIBG-LLVKDONJSA-N 257.328 3.503 30 20 CHED Cc1ccc(C(=O)/C=C\c2scnc2C)c(C)c1 255323372 INDBVMPTHPFUPV-SREVYHEPSA-N 257.358 3.964 30 20 CHED Cc1ccnc(NCc2ccccc2OC(C)C)c1C#N 343512784 OBLODDMYMXNSMW-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC[C@H]1CN(Cc2cccc(C#N)c2)c2ccccc2O1 441344634 FIJSUCJZHLQAGS-INIZCTEOSA-N 278.355 3.736 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1cncc(F)c1 255282568 QWGPJNLXQCJUFF-WAYWQWQTSA-N 293.244 3.718 30 20 CHED N#CCCCOc1cccc(Nc2cc(C3CC3)ncn2)c1 603277778 TXTUOLKWJJAIIS-UHFFFAOYSA-N 294.358 3.780 30 20 CHED C[C@H](C#N)Nc1ccccc1COCc1ccccc1 603955348 SGTFVHRSYBCXFS-CQSZACIVSA-N 266.344 3.727 30 20 CHED N#CCC[C@H](C#N)CNC[C@H]1CCC[C@H]1c1ccccc1 520377421 JDFXOHYCGWMPFZ-NXHRZFHOSA-N 281.403 3.603 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](C)C#N 609921921 WHPQPYWFNWAEBE-SKDRFNHKSA-N 299.201 3.590 30 20 CHED C=CCCc1nc(C(C)(C)c2ccccc2OC)no1 445685512 SCMHJQLJAZJESU-UHFFFAOYSA-N 272.348 3.523 30 20 CHED CC(C)(C#N)CCCSCCC(=O)OC(C)(C)C 440588204 KMALSRTXLDYLRR-UHFFFAOYSA-N 271.426 3.781 30 20 CHED C=C(C)COCCN[C@H](CC)c1cc(Cl)ccc1OC 358295226 ZPHJILBIHPSQAC-OAHLLOKOSA-N 297.826 3.982 30 20 CHED CC[C@](C)(NC[C@@H](C)CCC#N)c1ccc(F)cc1 602726712 AFVAVGFIDMZMDB-BBRMVZONSA-N 262.372 3.980 30 20 CHED C=CCC[C@H](NC[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 448131747 APZJQPCYGNRIOH-ZJPYXAASSA-N 271.404 3.851 30 20 CHED CSc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1 444732862 WVHRVVGCRLAILZ-OAHLLOKOSA-N 274.433 3.923 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)C[C@H](C)CCC#N 602437489 AHHLNHHFBCNTJI-NEPJUHHUSA-N 266.335 3.897 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 354242668 UWFYIMLFIPASLF-MRXNPFEDSA-N 290.382 3.859 30 20 CHED C=CCC1(C(=O)Nc2cc(C3CC3)ccn2)CCC1 358246347 YVVKUTRIPWYWGF-UHFFFAOYSA-N 256.349 3.644 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 353839509 YVIQMBZROBJKNX-QLFBSQMISA-N 291.439 3.584 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)oc1C 532267998 WQLLYHXBDCARQZ-LLVKDONJSA-N 280.283 3.528 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccc(C(C)C)cc1 448575329 ULSALXFDZVYJJW-UHFFFAOYSA-N 259.393 3.981 30 20 CHED CCOc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1C 613255219 IGCVRZDFGMEFHE-KGLIPLIRSA-N 258.365 3.888 30 20 CHED CC[C@@H](C)n1c(SCCC#N)nnc1-c1ccccc1 355907812 XCVZKDHUUAKPAA-GFCCVEGCSA-N 286.404 3.922 30 20 CHED COc1ccc([C@H](C)NCCCCC#N)cc1Cl 532216111 ZPQKHXQBJAQCHH-NSHDSACASA-N 266.772 3.693 30 20 CHED CC(C)c1cccc(N/C(N)=N/CCCC(F)(F)F)c1 267382214 AZMRQGDKGKMXAJ-UHFFFAOYSA-N 287.329 3.879 30 20 CHED COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)cc1)CC2 268811571 OBEYGNFIGLLSHI-YJYMSZOUSA-N 292.382 3.905 30 20 CHED C[C@@H](CC#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 266911425 HLAFSHKXCQYZTH-DTWKUNHWSA-N 285.174 3.515 30 20 CHED CC1(CNC(=O)Nc2ccc(CC#N)cc2)CCCCC1 610708182 RGUXMFAKDULHQJ-UHFFFAOYSA-N 285.391 3.845 30 20 CHED CC1(CCN[C@H]2CCCc3cc(C#N)ccc32)CC1 619465924 IOUCRHSSCSPQSV-INIZCTEOSA-N 254.377 3.715 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H](C)C[C@@H](C)C1 538283254 SGJNQLBLUIGAID-HZPDHXFCSA-N 281.440 3.644 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2C[C@]2(C)c2ccccc2)n1 610280218 HJEFIPOABCZFCO-SJLPKXTDSA-N 277.371 3.712 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](CC)Cc1ccc(F)cc1 617168048 RTRGKPYFVSDNIL-OAHLLOKOSA-N 277.383 3.865 30 20 CHED Cc1sc(NC(=O)C[C@@H](C)c2ccncc2)c(C#N)c1C 610722441 WAVNSQLCVSIYCQ-SNVBAGLBSA-N 299.399 3.764 30 20 CHED C=C(CC)CNC(=O)NCc1ccc2sccc2c1 454986823 FKSYHEWWJUOCRB-UHFFFAOYSA-N 274.389 3.667 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 459088822 XXUBLVPQRQOKCG-OAHLLOKOSA-N 286.419 3.963 30 20 CHED C[C@@H](NC(=O)c1cc2ccccc2o1)c1cccc(C#N)c1 610361670 IKBIMPXXBHYKQD-GFCCVEGCSA-N 290.322 3.795 30 20 CHED C=C(CNC(=O)[C@@H]1CCCc2sccc21)c1ccccc1 360210588 ZZGKBEDPUJOOLL-MRXNPFEDSA-N 297.423 3.998 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@H](C)c1ccccc1 538265067 RBLGNPYVXITFJI-MRXNPFEDSA-N 289.419 3.969 30 20 CHED N#Cc1ccc(N2CCC(c3cccc(F)c3F)CC2)nc1 364914425 DFJBPZMIWCBTNL-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C[C@@H](NC(=O)c1cc2ccsc2[nH]1)c1cccc(C#N)c1 610359251 GYSSZVQAJFEEGR-SNVBAGLBSA-N 295.367 3.592 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc(CCC(=O)O)c1 263514875 OJDPAJMJWMPBIG-QWHCGFSZSA-N 261.365 3.716 30 20 CHED CC#CCN(C)C(=O)Nc1ccccc1-c1csc(C)n1 455324065 LOXGGSKTGOVNLX-UHFFFAOYSA-N 299.399 3.606 30 20 CHED CCN(C(=O)[C@@H](C)C1CCCC1)c1ccc(C#N)cc1 611073604 NVPGNEIIIMGLEK-ZDUSSCGKSA-N 270.376 3.737 30 20 CHED Cc1cccc2c(=NCc3ccsc3)c(C#N)c[nH]c12 610275386 CPYAMVLIDXYHMA-UHFFFAOYSA-N 279.368 3.510 30 20 CHED CC[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 454683361 QAAYGUGRCYHCCA-OAHLLOKOSA-N 298.430 3.776 30 20 CHED C=CCC[C@@H](CC)Nc1ccc2c(c1)N(C(N)=O)CCC2 278776302 UWEMXUGGYOSZLC-CQSZACIVSA-N 287.407 3.675 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(F)c2ccccc12 279872529 AIORDZYFOYDZSM-KRWDZBQOSA-N 284.334 3.647 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618848072 NKJKJSNHPHWJOH-SRCQZFHVSA-N 297.402 3.518 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn(CCC)c1C1CC1 452989542 OBXWASARPIPRBS-UHFFFAOYSA-N 275.396 3.711 30 20 CHED C=CCCCc1nc(Cc2csc(C(C)C)n2)no1 273736040 BHWWJVZTYFFSOA-UHFFFAOYSA-N 277.393 3.749 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2cc(Cl)cc(Cl)c2)no1 453064926 PQQLMUAXIPRYBA-FUXBKTLASA-N 294.141 3.845 30 20 CHED N#CC1(CN2CCn3cccc3[C@@H]2c2ccccc2)CCC1 450511514 BHBRYXBCRSOJAJ-SFHVURJKSA-N 291.398 3.587 30 20 CHED C[C@@H](c1noc(-c2ccc(C#N)cc2)n1)C(C)(C)C 547131032 NREQNGHDGCATQO-JTQLQIEISA-N 255.321 3.758 30 20 CHED C[C@@H](CC(=O)NC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 543758455 JMSNWDUGFBQZET-JTQLQIEISA-N 298.308 3.617 30 20 CHED C#CCCCCC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 279925236 KRUMIQQPLBJWLR-RDJZCZTQSA-N 287.378 3.772 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C)c1cccnc1 362387913 CEIQGKRHQUJYKG-ZDUSSCGKSA-N 298.411 3.851 30 20 CHED C=C(C)CCNC(=O)N(CC)[C@H](C)c1cccc(OC)c1 458998415 KHQOEVZUXXPMMT-CQSZACIVSA-N 290.407 3.754 30 20 CHED CSC1(CN2CC=C(c3ccc(C#N)cc3)CC2)CC1 368013282 AEBRZRRKPVOPMR-UHFFFAOYSA-N 284.428 3.543 30 20 CHED C=CC(C)(C)c1nc([C@H]2CCc3ccccc32)no1 453120865 LTGBWIHIWCSNAG-ZDUSSCGKSA-N 254.333 3.611 30 20 CHED C=CCCc1nc(-c2cccc(C(C)(F)F)c2)no1 453354318 KWGFGLOLJIWXMT-UHFFFAOYSA-N 264.275 3.967 30 20 CHED C[C@H](C#N)CN[C@H]1CCC[C@H]1c1ccccc1Cl 545948390 IZWKHLOXLXYAOT-ZLDLUXBVSA-N 262.784 3.725 30 20 CHED C=CCN(C(=O)Nc1c(CC)cccc1CC)C1CC1 271356977 KJKHNIKQXOGRSB-UHFFFAOYSA-N 272.392 3.994 30 20 CHED N#Cc1ccc(CCC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 460476080 ABXPXJIYPQCBCG-OKZBNKHCSA-N 296.414 3.576 30 20 CHED Cc1ccc2c(c1)CCN(c1nc(C)c(C#N)cc1Cl)C2 461943031 VPMGJUZSUZNAGZ-UHFFFAOYSA-N 297.789 3.786 30 20 CHED C=CCSCCN[C@H]1CCC[C@@H](c2cccnc2)C1 374326983 FOTPCNZTNKPEBV-ZBFHGGJFSA-N 276.449 3.617 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 465116771 AKLGMBCRDCEUDX-GFCCVEGCSA-N 277.795 3.843 30 20 CHED C=CCC[C@@H](NCCCc1cn[nH]c1C)c1ccco1 285815814 WBDFFYCSPUMWGW-OAHLLOKOSA-N 273.380 3.541 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1Cc1cccc(C#N)c1 464730046 CXDLFUUGQGMSAS-RHSMWYFYSA-N 256.393 3.959 30 20 CHED CCN(c1nc(Cl)c(C#N)s1)[C@@H](C)c1cccnc1 287488702 XXSUYADYBBZHPA-VIFPVBQESA-N 292.795 3.651 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](CC)Sc1ccccc1 463277408 LBWAKBBRXNSWBM-OAHLLOKOSA-N 275.417 3.758 30 20 CHED C=CCC[C@H](CCC)NC[C@H]1CCO[C@H]1C(=C)C 280720919 FSJWDCNKNCUJCS-PMPSAXMXSA-N 251.414 3.692 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc(OCCC)cc1 463239481 XKQLRHFPKPTESM-UHFFFAOYSA-N 287.403 3.609 30 20 CHED CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)c1cccc(C#N)c1 463951457 QMTGPMCRHFSLKB-JCGIZDLHSA-N 298.430 3.993 30 20 CHED C=CCC[C@H](NCc1ccc(OCC#N)cc1)c1ccco1 286258792 UTHDIKLKFHHRDY-KRWDZBQOSA-N 296.370 3.979 30 20 CHED C=CCCCNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 468394874 WIDROXJRXFJGEK-LBPRGKRZSA-N 265.784 3.601 30 20 CHED C#CC[C@H](N[C@@H]1CCC[C@@H]1CCOC)c1ccccc1 282355767 VXOMDMWMRCNZOD-FGTMMUONSA-N 271.404 3.546 30 20 CHED C=CCC[C@H](NC[C@@](C)(O)c1ccccc1)c1ccco1 286023305 JUYCULGOHILRSO-FUHWJXTLSA-N 285.387 3.784 30 20 CHED C=C[C@H](CC(=O)Nc1nccc(C2CC2)n1)c1ccccc1 637535992 RNXMPMPNXXOQMG-CYBMUJFWSA-N 293.370 3.652 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@@H](C(C)(C)C)C1 558996997 APQNZEZTXPBXED-CQSZACIVSA-N 290.455 3.679 30 20 CHED N#CC1CCC(CNC(=O)Nc2ccc3c(c2)CCC3)CC1 282750988 PMNVHCRAOHPECU-UHFFFAOYSA-N 297.402 3.627 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2nccc(C#N)c2Cl)C1 553052690 WOFVMOGRLIFINS-CQSZACIVSA-N 297.789 3.909 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)[C@H](C)C1CCCCC1 556880275 YGTPYUBSZKZPLR-HEHGZKQESA-N 264.413 3.647 30 20 CHED Cc1cn(Cc2cccc(CN3CCCCC3)c2)cc1C#N 557248338 MSCISAXYWKYHCV-UHFFFAOYSA-N 293.414 3.702 30 20 CHED COCc1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1 806576519 DKNLHVCPBMTPPB-JYRVWZFOSA-N 299.757 3.704 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 471711795 ISYITUXRMYLGGO-KBPBESRZSA-N 279.330 3.541 30 20 CHED C=CCOCCCN(CC)[C@@H](C)c1cccc(OC)c1 470719637 JWDRSGFACKZVOG-HNNXBMFYSA-N 277.408 3.671 30 20 CHED C=CCCCCCCNC(=O)N1CCS[C@H](CC)C1 806004719 QNESJBLKULXVHS-CQSZACIVSA-N 284.469 3.660 30 20 CHED C[C@@H](C=NNc1cnc2ccccc2n1)C(C)(C)C 800812235 ZYGVGYZXOKQIHY-NSHDSACASA-N 256.353 3.710 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cc(-c2ccccc2)ns1 806311036 MBUCDLSLUZLNPQ-ZDUSSCGKSA-N 299.399 3.734 30 20 CHED C[C@@H]1CC(=NOCCC(F)(F)F)c2ccccc21 807983585 QVZPTHHUCVJJMZ-SECBINFHSA-N 257.255 3.867 30 20 CHED C=CCCCCN[C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 471614544 MPUXEVXMFNSFAZ-CQSZACIVSA-N 298.430 3.980 30 20 CHED Cc1csc(NC(=O)c2ccc(Cl)nc2C)c1C#N 809002700 FGCGLMWCXZQBNM-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C=CCCN(CCc1ccncc1)OCc1ccccc1 809984918 BVLVFTOKEALIOR-UHFFFAOYSA-N 282.387 3.634 30 20 CHED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](CO)C(C)C 476787475 KBNZPLBMHYJREW-INIZCTEOSA-N 289.419 3.742 30 20 CHED C#Cc1ccc(CN[C@H](C(C)C)[C@@H](O)c2ccccc2)cc1 809657160 WIWHLHQFDXAVAW-UXHICEINSA-N 293.410 3.516 30 20 CHED CC(C)CC[C@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 472712813 IHGPRPJWJHEDLS-GOSISDBHSA-N 298.430 3.918 30 20 CHED C=CCCCC(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 474661265 TZSLNLGVWJMDEO-MRXNPFEDSA-N 275.348 3.879 30 20 CHED C=CCC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CCC1 479981826 CETDILKRZIXXCP-QGZVFWFLSA-N 283.415 3.870 30 20 CHED C[C@@H](C#N)OCCSCc1cc(F)ccc1Cl 802751408 JDGABWHMQSDIER-VIFPVBQESA-N 273.760 3.641 30 20 CHED CCCC[C@@H](SCc1cccc(C#N)c1)C(=O)OC 475864082 JYZOBALMZVAOQM-CQSZACIVSA-N 277.389 3.523 30 20 CHED C=CCCCCNC(=O)c1ccc(CSC)cc1 471688677 OSKWHQBLGPXYDP-UHFFFAOYSA-N 263.406 3.636 30 20 CHED C=CCCC(=O)NC1(c2ccc(Cl)cc2)CCC1 566022026 ODRIBQHQILBEOW-UHFFFAOYSA-N 263.768 3.802 30 20 CHED CCCCCCC[C@@H](C)NCC1CCN(C(=O)OC)CC1 809710620 VRCJKMWSKGKLHG-OAHLLOKOSA-N 298.471 3.803 30 20 CHED N#CCCCc1nc(-c2cc(F)ccc2C(F)(F)F)no1 291054958 IZVQUTBBXCGJOP-UHFFFAOYSA-N 299.227 3.741 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C1CC2(CCC2)C1 568986996 WADRCTDSTHDHGV-UHFFFAOYSA-N 296.414 3.877 30 20 CHED CC(C)c1[nH]ccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 803779823 GFVNHKBRRKGPGG-LBPRGKRZSA-N 282.343 3.928 30 20 CHED N#CCCCCCC(=O)N1CCCC2(CCCC2)C1 807330564 FZIGPZOBGZIOMV-UHFFFAOYSA-N 262.397 3.643 30 20 CHED CCc1ccccc1NC(=O)[C@@]1(C#N)CC12CCCC2 297735744 FYDJJLGWJCDDSO-KRWDZBQOSA-N 268.360 3.662 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3cccnc3)C2)CCCCC1 566265086 AXIIZRAIXCFTEI-KRWDZBQOSA-N 298.430 3.924 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(F)c2C#N)ccc1O 811689532 GFMLOTRTALNXDU-YVMONPNESA-N 281.286 3.608 30 20 CHED Cc1cc(N2CCCCCC2)ccc1NCCC#N 565416831 IGEIMCBNEHLPOX-UHFFFAOYSA-N 257.381 3.701 30 20 CHED CCC(=NNCc1ccccc1Cl)c1ccc(F)cn1 814812883 PTSDMGKRUFNKOL-UHFFFAOYSA-N 291.757 3.778 30 20 CHED Cc1ccsc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1F 814191411 PSCOFJBKZFEGBN-PLNGDYQASA-N 291.303 4.000 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)c1ccccc1 488832404 UOYIVHSKOKOIGO-ZBFHGGJFSA-N 257.377 3.747 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(CN(C)C)cc1 814815095 MVABTUGTZWPQFU-UHFFFAOYSA-N 285.366 3.723 30 20 CHED CCCC(Cc1ccccc1)=NNC[C@@H]1CCSC1 811659170 OWVJEPBJRGVGJE-HNNXBMFYSA-N 276.449 3.728 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H](C)[C@H]1CCC 815715678 PWXDPUYCQUGDOC-NWDGAFQWSA-N 259.340 3.625 30 20 CHED Cc1nsc(N2CC[C@H](c3ccccc3)[C@H](C)C2)c1C#N 569637669 UQDMZCFYSAIZDH-DOMZBBRYSA-N 297.427 3.953 30 20 CHED C#CCn1ccc(CN(CC)C[C@@H](C)C2CCCCC2)n1 815102912 MKZAYVDYSUJMCJ-MRXNPFEDSA-N 287.451 3.555 30 20 CHED Cc1ccc2c(C)cc(NN=C[C@H]3CCCOC3)nc2c1C 814769233 KJKGYAAPEISCFN-OAHLLOKOSA-N 297.402 3.984 30 20 CHED Cn1cc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)cc1C#N 483258727 VGYRFADWQVXNKU-OAHLLOKOSA-N 299.805 3.540 30 20 CHED FC(F)(F)C1CCC(C=NNC[C@@H]2CCSC2)CC1 811657069 DGOVMELLBUKGRX-CXQJBGSLSA-N 294.386 3.684 30 20 CHED CCOc1c(Cl)cccc1CNCCCCC#N 487271993 BXRLIIYVCDGNPE-UHFFFAOYSA-N 266.772 3.522 30 20 CHED CCCCCCCCCN(C)C(=O)c1cccc(CN)c1 818501695 JQNWRGXFHYPUKP-UHFFFAOYSA-N 290.451 3.968 30 20 CHED N#CC1(CNC(=O)Nc2cccc(Cl)c2Cl)CCC1 570424262 UELPMTSNKDTFGS-UHFFFAOYSA-N 298.173 3.809 30 20 CHED Cc1cccc([C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)c1 483695583 BETFLVVFGGNBMJ-SFHVURJKSA-N 294.373 3.995 30 20 CHED CC[C@H](NCCCC#N)c1ccc(C(F)(F)F)cc1O 810236111 YYUPMRUBGNGIQI-LBPRGKRZSA-N 286.297 3.755 30 20 CHED CC(C)(C)c1cnc(C=NNc2cccc(C#N)c2)s1 814786690 PQRFEIITCBLEDS-UHFFFAOYSA-N 284.388 3.758 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 811997510 LJYQKBKBQLEMDQ-SJORKVTESA-N 284.403 3.547 30 20 CHED C=CCCC(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 811546461 SZEZDEZAOSLCIM-RBUKOAKNSA-N 295.382 3.544 30 20 CHED C/C=C/C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 819739311 XZWXIQFMQIINNN-JOAKQRRISA-N 296.292 3.522 30 20 CHED C=CCCCCCNC1(c2noc(C)n2)CCCCC1 488189313 QNJHUJQCNXLJCI-UHFFFAOYSA-N 277.412 3.873 30 20 CHED C=CC[C@H](C(=O)NC1(C(F)(F)F)CC1)c1ccccc1 655093886 TVBFLDOYVNPVDO-LBPRGKRZSA-N 283.293 3.557 30 20 CHED C[C@@H]1CCC(=NNc2ccc([N+](=O)[O-])cc2Cl)C1 814833052 VVQCQAHHFSCKMM-MRVPVSSYSA-N 267.716 3.836 30 20 CHED CC(=NNc1ccc(C)cc1)c1csc(C(=O)O)c1 814685563 JKOJJPNOLGSEGJ-UHFFFAOYSA-N 274.345 3.591 30 20 CHED C#Cc1cccc(NC(=S)N(C)Cc2cccs2)c1 726439620 FQDJDUINRPBLIQ-UHFFFAOYSA-N 286.425 3.558 30 20 CHED CCCC[C@H](C)N(C)Cc1ccc(C#N)cc1OC 579766779 GAEOFKFNQLONSF-ZDUSSCGKSA-N 260.381 3.577 30 20 CHED C[C@@H]1C(=NNc2ccc3ccccc3n2)CC[C@@H]1CC(=O)O 814697718 ZLVGIHXYYNASBN-WCQYABFASA-N 297.358 3.524 30 20 CHED Cc1cc(CNc2cccc(C#N)c2C)ccc1C#N 572688214 HNZGCNQGYYJJEC-UHFFFAOYSA-N 261.328 3.659 30 20 CHED C=CC[C@@H](C)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 482200363 SFQRWFJGSOONPT-CYBMUJFWSA-N 299.370 3.787 30 20 CHED C[C@@H](OC(=O)c1ccc2c(c1)CCCCC2=O)C(C)(C)C#N 810639746 HTUVVBSEEJGADG-GFCCVEGCSA-N 299.370 3.691 30 20 CHED C[C@H]1CN(Cc2ccc(F)cc2C#N)Cc2ccccc21 728569997 ZMZVFYJVCKRKFD-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(O[C@@H]2CCOC2)cc1 657429328 QMTGXYOVOGGQSN-CRAIPNDOSA-N 289.419 3.689 30 20 CHED C[C@H]1CCCC1=NNc1ccc(Cl)c(C(=O)O)c1 729141049 SAHMMZLXTPNJRS-QMMMGPOBSA-N 266.728 3.626 30 20 CHED C=C(Cl)CSCc1ccn(-c2ccccc2)n1 729855357 SIRSVQOEMBZAER-UHFFFAOYSA-N 264.781 3.858 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1F 727655157 TUPKJUYRHBBHJF-CLFYSBASSA-N 294.329 3.659 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCCC[C@H]2CC)c1 726458250 WWEGYXKOVSXKGE-ZBFHGGJFSA-N 286.444 3.923 30 20 CHED Cc1c(NN=C[C@@H]2CC=CCC2)cccc1[N+](=O)[O-] 727972920 LLAPWFNUGHFQCS-GFCCVEGCSA-N 259.309 3.657 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccc(F)cc2F)no1 904805655 AEMBXFDIZXEXIX-UHFFFAOYSA-N 264.275 3.770 30 20 CHED Cc1nnc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(C#N)c1C 492329060 KMLQEEBHKFDLDO-RRFJBIMHSA-N 284.407 3.736 30 20 CHED Cc1cccc(NN=Cc2ccc(Br)cn2)c1 733743461 SOTKARQDFUPPLD-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(CCC)[nH]n2)c1 589552731 GQKIMWRVDNIAQM-UHFFFAOYSA-N 299.374 3.569 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 497196652 BDPYPQDSBUTIMH-RBSFLKMASA-N 276.424 3.601 30 20 CHED C#CCOc1ccccc1C/N=C\c1cc(Cl)ccc1O 734096727 QWQOJDAIBAGRQZ-UNOMPAQXSA-N 299.757 3.677 30 20 CHED C=C(C)CN1CCC(NCc2ccc3c(c2)CCCC3)CC1 490894336 MICMAAOTMLEXSM-UHFFFAOYSA-N 298.474 3.696 30 20 CHED Cc1ccc2nc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)ccc2c1 839061700 GIORUNWCUUFDQA-UKRRQHHQSA-N 294.354 3.782 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cccc(C)c2F)no1 903686642 QSVNKXDJMLDWQC-JSGCOSHPSA-N 288.322 3.633 30 20 CHED CCc1nc(C)c(CSc2cccc(F)c2C#N)o1 580784941 IDVNBWGSUZCDFI-UHFFFAOYSA-N 276.336 3.849 30 20 CHED COCC(CC(C)C)=NNc1ccc(C(F)(F)F)cn1 730727310 QTFKWVYDZQMXJM-UHFFFAOYSA-N 289.301 3.561 30 20 CHED C=CCCCN(CC)[C@H](C(=O)O)c1cccc(Cl)c1 903961203 PRAQUVMUFDFOQZ-AWEZNQCLSA-N 281.783 3.754 30 20 CHED CC[C@H](NCc1occc1C)c1cccc(C#N)c1 903000241 VXCRHEIFVXSEEU-HNNXBMFYSA-N 254.333 3.701 30 20 CHED COc1cccc(C=Nc2cccc(C)c2F)c1O 588384616 PKQCABPOBAJXLM-UHFFFAOYSA-N 259.280 3.599 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)C(C)(C)C 734709796 ZVBNQLCBGZOGEI-MNOVXSKESA-N 270.332 3.686 30 20 CHED C#CCC[C@@H](C)OC(=O)c1nc(-c2cccs2)oc1C 839033377 CHMDHXJOVOFGSH-SNVBAGLBSA-N 289.356 3.670 30 20 CHED C=CC1CCN(Cc2c(O)ccc3ccc(OC)cc23)CC1 732180843 FTEWBZPZEVFXGB-UHFFFAOYSA-N 297.398 3.952 30 20 CHED CC(C)Cc1ccc(C(=O)N(CC#N)c2ccccn2)s1 905998371 NHXPECNCSMTOCZ-UHFFFAOYSA-N 299.399 3.512 30 20 CHED C=CC[C@H](NC(=O)NCCC1=CCCCC1)c1ccncc1 734652583 NOIBKOHXGLNGHH-KRWDZBQOSA-N 299.418 3.889 30 20 CHED C=CC[C@@H](C)NCc1ccccc1N1CCCCC1 735085719 JHDMZIIFHYOEAV-OAHLLOKOSA-N 258.409 3.731 30 20 CHED C=CC(C)(C)C(=O)OCC(=O)c1oc2ccccc2c1C 837864540 FNLAZUFMAFKFHV-UHFFFAOYSA-N 286.327 3.679 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(Cl)s2)cc1 839381653 LAOJCKNXSPNDSX-UHFFFAOYSA-N 280.736 3.546 30 20 CHED FC(F)(F)c1ccc(NN=C2CC3(CCCC3)C2)nn1 901205251 FDCAYTKJASOXIF-UHFFFAOYSA-N 284.285 3.618 30 20 CHED C=CCCCOC(=O)CCc1ccc(OCC)cc1 735533639 ZCEBYYGBHLYPPX-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CC[C@H](CC#N)N[C@@H](C)CCSc1ccccc1 582011675 KCEFWVBXRXNWFQ-UONOGXRCSA-N 262.422 3.839 30 20 CHED CC(C)(C)C#CC(=O)N[C@H](c1ccccc1)C1CCC1 837394005 AJSCOGVNTFZXSP-QGZVFWFLSA-N 269.388 3.694 30 20 CHED CC1(C)CCC(=NNc2cccc([N+](=O)[O-])c2)CC1 735971220 SROXAQNWYWGCAW-UHFFFAOYSA-N 261.325 3.963 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCc2ccc(Cl)s2)C1 839048100 LDGPNJIIGSQZRJ-MNOVXSKESA-N 297.807 3.960 30 20 CHED C#Cc1cccc(CNC(=O)Nc2ncsc2C(C)C)c1 836623074 JOVPHFWSCSCXCV-UHFFFAOYSA-N 299.399 3.570 30 20 CHED C[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046606 LHLCYKANRFGGRE-FKTZTGRPSA-N 290.775 3.782 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 835507238 BWJBYBHFIJSSIM-ZBFHGGJFSA-N 293.313 3.825 30 20 CHED N#CCCCCOC(=O)c1cc(C2CC2)nc2ccccc12 914623779 XFFPPVBNUGCLQV-UHFFFAOYSA-N 294.354 3.963 30 20 CHED C#CCC[C@H](C)OC(=O)C[C@H](C)c1cccc(OC)c1 839037722 TZQSGCKANNTIES-KBPBESRZSA-N 274.360 3.534 30 20 CHED N#Cc1cc(N2CC3(CCC3)[C@@H]2c2ccccc2)ccn1 912169130 SFCXPMIVPOYTKY-KRWDZBQOSA-N 275.355 3.685 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(-c2ccccc2C)cs1 593458558 SRXVVKUNDMMZMO-LLVKDONJSA-N 285.372 3.607 30 20 CHED CC[C@@H](C(=O)N(C)c1ccc(C#N)nc1)C1CCC(C)CC1 593277584 WQJONJRKGFLZEH-MQBCKMQZSA-N 299.418 3.769 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N(C)c1ccc(C#N)nc1 593274426 CAUYUWKYHPNSBY-CQSZACIVSA-N 285.391 3.689 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 749318572 FFMHHFVDACOUKD-UHFFFAOYSA-N 290.775 3.940 30 20 CHED CC[C@H](CSc1nnc(C)c(C)c1C#N)CC(F)F 594892057 WAXFGAQCGBEKDT-JTQLQIEISA-N 285.363 3.739 30 20 CHED C=C1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC1 591062822 JXEZKABSTKQKLG-UHFFFAOYSA-N 277.795 3.796 30 20 CHED CC(C)CON=Cc1csc(-c2ccsc2)n1 749631692 OCJOTEZPHSODHJ-UHFFFAOYSA-N 266.391 3.878 30 20 CHED C=CCC[C@H](OC(=O)c1cnc2n1[C@@H](C)CCC2)C1CC1 845492012 AEFVXHPLXBXTTE-WFASDCNBSA-N 288.391 3.682 30 20 CHED C=CCNC(=N)NCc1ccccc1-c1ccc(Cl)cc1 849000774 OFGYSOUVIJYZKC-UHFFFAOYSA-N 299.805 3.807 30 20 CHED C[C@@H]1Cc2ccccc2[C@H]1NCCc1ccc(C#N)cc1 595055750 IOJBUJMXHNWSBU-KUHUBIRLSA-N 276.383 3.624 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1CCCOc2ccccc21 749748721 LEFZPMKQQKZTPF-CCRNYGKSSA-N 297.354 3.734 30 20 CHED CC1(c2ccccc2)CC(=NOCc2cccnc2)C1 746576882 ODUHJRMZQJUCCO-UHFFFAOYSA-N 266.344 3.706 30 20 CHED N#Cc1nc(N2CC[C@@H](c3ccccc3)C2)sc1Cl 596114342 AJPZKCUKZBVLDP-LLVKDONJSA-N 289.791 3.662 30 20 CHED C[C@@H](NC1(C2CCC2)CC1)c1ccc(C#N)c(F)c1 593720760 MXJVLJOIPLUGNB-LLVKDONJSA-N 258.340 3.681 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(C#N)cc1 748288287 FWVGIIDXZJATMF-CYBMUJFWSA-N 299.370 3.501 30 20 CHED C[C@H](OC(=O)c1cc(C#N)c[nH]1)c1ccc(F)c(Cl)c1 748225859 SULOFADPNCQFDW-QMMMGPOBSA-N 292.697 3.597 30 20 CHED C=C[C@H](C)ONC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 846551352 UKBFVOVHXNYHTG-UONOGXRCSA-N 291.391 3.508 30 20 CHED C#CCN(C(=O)N[C@@H](C)C[C@@H](C)CC)C1CCCCC1 745888488 OHMQLQWCZNBOMG-GJZGRUSLSA-N 278.440 3.789 30 20 CHED Cc1ccc(C=NNc2cccc([N+](=O)[O-])c2)c(C)c1 916269150 UOHASQRFPKYEDX-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2nc(Cl)c(C#N)s2)CC1 843590539 KHIBWOMHORGNRI-VIFPVBQESA-N 295.795 3.743 30 20 CHED C=C(C)CCOC(=O)c1cc(C2CC2)nn1-c1ccccc1 744303733 SQUPMWAAXRMUCX-UHFFFAOYSA-N 296.370 3.873 30 20 CHED CCS[C@@H]1CCCCN([C@@H](C#N)c2ccccc2)C1 595312665 LKOPFPXZCJROBS-CVEARBPZSA-N 274.433 3.859 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](CCC(C)C)C(C)(C)C 593473366 BGQRRKKWFKKFCP-OLZOCXBDSA-N 252.402 3.503 30 20 CHED C=C(Cl)COC(=O)[C@@H](CCC)c1ccccc1 916620025 LRPPKDMCNWYZBU-ZDUSSCGKSA-N 252.741 3.866 30 20 CHED C=C(C)CONC(=O)C[C@H](C)Cc1ccc(Cl)cc1 846536003 PFJSYENGNNHMOJ-GFCCVEGCSA-N 281.783 3.533 30 20 CHED Fc1ccccc1NN=Cc1csc(-c2ccccn2)n1 915958047 JNVISQIMGUQTOH-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2ccn(C(F)F)c2c1 598061244 KIQNABMXIRVGCK-UHFFFAOYSA-N 291.301 3.915 30 20 CHED CCn1c2ccccc2c2cc(C=NOCCOC)ccc21 748791578 KEGFRONZCPCLSW-UHFFFAOYSA-N 296.370 3.811 30 20 CHED C[C@H]1CCCC(=NNCc2cccc3cccnc23)C1 915959472 MTCDLNYQYQNXSJ-ZDUSSCGKSA-N 267.376 3.891 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N[C@H]1CCSC1 591917488 QDPCZDCVGCMDCB-JTQLQIEISA-N 289.791 3.677 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C2(F)CCCC2)cc1 847046492 YMIFLRODQAGRPP-OAHLLOKOSA-N 288.366 3.554 30 20 CHED CC(=NN(C)[C@H](C)CO)c1ccccc1SC(C)(C)C 842539954 FBTOXCDHBROHIE-GFCCVEGCSA-N 294.464 3.614 30 20 CHED CCCCCCCCOCC(=O)Nc1ccccc1O 743292570 FVQPNBQCXLGBAQ-UHFFFAOYSA-N 279.380 3.708 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cc2n(n1)CCC2 841634665 WMSJTRUGKWYTNM-UHFFFAOYSA-N 296.418 3.963 30 20 CHED Cc1cc(C)cc(C=NNc2ccc([N+](=O)[O-])cc2)c1 921254461 WEDKLULFVGKIRQ-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CC[C@@H](CNC=C1C(=O)CC(C)(C)CC1=O)c1ccccc1 920979935 ZZQPCZJFBZOQGG-AWEZNQCLSA-N 299.414 3.612 30 20 CHED C=CCNC(=S)N1CCC[C@@H]1c1cccc(C)c1C 741490915 CSZVNPZHRUKPLU-OAHLLOKOSA-N 274.433 3.501 30 20 CHED C[C@H]1C[C@@H](NCc2cccc(-c3ccc(C#N)s3)c2)CO1 842682679 JHMUBTLXDSGARS-SWLSCSKDSA-N 298.411 3.554 30 20 CHED C[C@H](SCCO[C@H](C)C#N)c1ccc2c(c1)CCC2 842185031 XLWCUELWWVEBLZ-OLZOCXBDSA-N 275.417 3.898 30 20 CHED COc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1C 921263502 FILXSCARMTVPJT-UKTHLTGXSA-N 282.314 3.965 30 20 CHED C(=NNc1ccccc1)[C@@H]1CCOc2ccccc21 752157688 OASCFFWHOIOCOO-ZDUSSCGKSA-N 252.317 3.651 30 20 CHED N#Cc1ccc(C(=O)OC[C@H]2CCc3ccccc32)s1 750705145 GIKDVZHVZAEKDC-GFCCVEGCSA-N 283.352 3.507 30 20 CHED C=C[C@H](OC(=O)c1coc(C2CC2)n1)c1ccccc1 851452373 RUHHYWVAQNGIIY-AWEZNQCLSA-N 269.300 3.636 30 20 CHED COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)C#CC(C)C 854418188 LYCKNYIERXAABU-WBVHZDCISA-N 299.414 3.654 30 20 CHED COc1cc(C)c(/C=C\C(=O)c2ccccc2)cc1OC 751510846 VLJLHPHJRJMDGW-KTKRTIGZSA-N 282.339 3.908 30 20 CHED COc1ccc(NN=Cc2ccnc3ccccc23)cc1 750922390 OSVFTCLQRKPUPM-UHFFFAOYSA-N 277.327 3.689 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@H]2C[C@@H]2c2ccccc2)cc1 755462096 NEFFHMHYAQUEFJ-CZUORRHYSA-N 281.315 3.796 30 20 CHED CC(C)C=NNc1ccc(C#N)c(C(F)(F)F)c1 755684123 ZPWNDINVQWNKJT-UHFFFAOYSA-N 255.243 3.631 30 20 CHED C#Cc1ccc(C(=O)Nc2cccc3ccsc23)cn1 752474968 NVRPKGPTXQOVDQ-UHFFFAOYSA-N 278.336 3.530 30 20 CHED Cc1ccccc1C[C@@H](NCCCC#N)c1ccco1 926132150 JESHJLGBIPSWET-MRXNPFEDSA-N 268.360 3.765 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1cc(Cl)nc(C)n1 853310039 AUPGGJSREZAXCM-LLVKDONJSA-N 278.787 3.973 30 20 CHED Cc1cc(C)c(NN=Cc2c(C3CC3)cnn2C)c(C)c1 853312575 ZOYLEHHVQYVDNX-UHFFFAOYSA-N 282.391 3.669 30 20 CHED COc1ccc(C=NNc2cccc(Cl)c2F)cc1 921137510 ACOJIEILTROVPB-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CC[C@@H](C)Oc1ccc(NC[C@@H](O)CC(C)(C)C#N)cc1 857238305 LUQWCTCBOBNPBI-HIFRSBDPSA-N 290.407 3.577 30 20 CHED N#CC1(CN[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 926875389 ZFPKIPCADHMJOU-INIZCTEOSA-N 297.789 3.718 30 20 CHED C#CC[C@@H](NC(=O)c1cc(C)c(F)cc1F)c1ccccc1 757594969 CYJOTJYMIOVLDF-QGZVFWFLSA-N 299.320 3.768 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C(\C)c1ccco1 857593942 HKQORSRPZKDCNY-ACCUITESSA-N 274.364 3.662 30 20 CHED C#CCCCCNCc1cccc(OC2CCCC2)c1 758497415 PBXMBJPYEYDAFG-UHFFFAOYSA-N 271.404 3.901 30 20 CHED N#Cc1ccc(NN=C[C@H]2C[C@H]2c2ccccc2)cc1 755650660 DHCXGAQDPSWYPH-WBVHZDCISA-N 261.328 3.760 30 20 CHED CCCCCCCCNC(=O)N(C[C@@H]1CCOC1)C1CC1 755076927 DEHYXRJJAQREKT-HNNXBMFYSA-N 296.455 3.557 30 20 CHED Cc1ccc(F)c(NN=Cc2sc(C)nc2C)c1 759666560 UFBBWEMORGBUOB-UHFFFAOYSA-N 263.341 3.653 30 20 CHED N#Cc1cccc(NN=C[C@@H]2CCOc3ccccc32)c1 752160084 GZCUIKNLSRVHOS-AWEZNQCLSA-N 277.327 3.522 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1cc(F)ccc1F 757476673 YFZSWKCOWJJVHJ-FNORWQNLSA-N 284.265 3.509 30 20 CHED Fc1cc(F)cc(C=NNc2cc(F)c(F)c(F)c2)c1 755756722 YZFRDISFBGHOSS-UHFFFAOYSA-N 286.203 3.828 30 20 CHED CCC(=NO[C@H]1CCCCO1)c1cccc(Cl)c1 755824582 WFMZMDOYKVOKHW-AWEZNQCLSA-N 267.756 3.997 30 20 CHED C#CCN(CC)C(=O)C(C)(C)c1ccc2ccccc2c1 764212546 YHRVVCVZSAORMK-UHFFFAOYSA-N 279.383 3.599 30 20 CHED N#Cc1ccc(Cl)cc1N1CCc2ccsc2C1 132474598 QJTIJHZQFYINKA-UHFFFAOYSA-N 274.776 3.836 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(c2ncc(C)s2)CC1 935655922 ZFIZKLAZMZQIGH-CYBMUJFWSA-N 292.448 3.760 30 20 CHED C=CCN(Cc1cccc(OCCCC#N)c1)C(C)C 768546720 CWTNYUXMHVXEOW-UHFFFAOYSA-N 272.392 3.766 30 20 CHED CCCCCCCCCOC(=O)C1(C#N)CCOCC1 767399742 SUTWJFYHVCUQNJ-UHFFFAOYSA-N 281.396 3.601 30 20 CHED CON=C(C)c1ccc(Oc2ccc(C(=O)O)cc2)cc1 760250454 NASOAHIOWRRUQB-UHFFFAOYSA-N 285.299 3.548 30 20 CHED CC(F)(F)c1ccccc1NC(=O)N1CCC[C@@H](C#N)C1 931632608 UMGKSGDJBKHYCF-NSHDSACASA-N 293.317 3.566 30 20 CHED CCC[C@H]1C[C@H](C(=O)OCCCCC(C)(C)C#N)CCO1 768843668 AGBRMJWUDCPALA-CABCVRRESA-N 295.423 3.845 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1c1cc(C)ccc1C 761819350 UTZZYCFWDRHJFG-INIZCTEOSA-N 288.460 3.891 30 20 CHED Oc1ccc2ccccc2c1/C=N/Cc1ccc(F)cn1 763097773 QIELRUNOMJVDDW-YBFXNURJSA-N 280.302 3.699 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1ccccc1 764787855 GCKHCVXVOKAFBQ-UHFFFAOYSA-N 275.355 3.749 30 20 CHED CCC(=NNc1nc2ccccc2[nH]1)c1ccc(O)c(F)c1 764657669 BZMCGNKSYFHNEO-UHFFFAOYSA-N 298.321 3.634 30 20 CHED CCn1nccc1/C=C1/C(=O)c2ccccc2[C@@H]1C(C)C 766507677 WHKSSNBZMJBWSR-YTBHAWNYSA-N 280.371 3.923 30 20 CHED C/C=C(/C=C/C(=O)OCc1ccc(C#N)cc1F)CC 767656409 BIQAEFLDOGWLEV-ZPFJFLCSSA-N 273.307 3.653 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCc2ccc(Cl)cc21 877659842 FAIJMSYLAPZGBE-IAQYHMDHSA-N 262.784 3.857 30 20 CHED CC(C)(C)N1CCC(=NOC2CCCCC2)CC1 777457350 QTCNGAVOUKASIU-UHFFFAOYSA-N 252.402 3.586 30 20 CHED Cc1ccsc1C=NN[C@@H]1CCCCC1(C)C 773122591 AMLDFCKBUYNCSH-CYBMUJFWSA-N 250.411 3.949 30 20 CHED C=CC[C@H](N[C@@H]1CCc2c(OC)cccc21)c1ccncc1 1116296643 UHALEUHOBSYRQM-ZWKOTPCHSA-N 294.398 3.985 30 20 CHED C=CCOc1cccnc1C(=O)Oc1ccc(Cl)cc1 775232119 HPIQAKNBDMIYDA-UHFFFAOYSA-N 289.718 3.519 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cnccc1C 771551477 BAWHGPSLBMTLOT-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CC[C@]1(C)CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 878188829 UUKWTCMLNURIGD-RTBURBONSA-N 298.430 3.549 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C)CCSC)c1ccccc1 777681385 MLMYBOYDXOAKRW-ZBFHGGJFSA-N 291.460 3.994 30 20 CHED CCC(CCC(F)(F)F)=NNc1ccc(C(=O)O)cc1 872324305 PLYZSKLCVJKZDA-UHFFFAOYSA-N 288.269 3.905 30 20 CHED C[C@H](COc1ccccc1)Nc1snc(Cl)c1C#N 771137897 KZLCMFBLEAYDHG-SECBINFHSA-N 293.779 3.548 30 20 CHED Fc1ccc(NN=C2CCCNc3ccccc32)c(F)c1 774312105 PPWJDZWFTMGOJI-UHFFFAOYSA-N 287.313 3.987 30 20 CHED C#CCN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C 774373345 YFWWOEFCEFZIDN-ZDUSSCGKSA-N 255.283 3.625 30 20 CHED COc1cccc2cc(/C=C\C(=O)c3cscn3)oc12 776191553 DMRMYEMLCAMBBH-WAYWQWQTSA-N 285.324 3.794 30 20 CHED CC(=NNc1ccccc1Cl)c1cnccc1C 771554493 WOOZENPBEXMYCG-UHFFFAOYSA-N 259.740 3.880 30 20 CHED C=C/C=C\CCSc1nnc(C2CC2)n1CC=C 882047417 QYNKPIOMBMEQNN-WAYWQWQTSA-N 261.394 3.566 30 20 CHED C=CCCOC(=O)c1cnn(C2CCCC2)c1CCC 784840003 VMPNHEFKMLFYSW-UHFFFAOYSA-N 276.380 3.684 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(O)c(C(C)C)c1)OCC 882655405 MXOBANAUKMGYHP-INIZCTEOSA-N 291.391 3.825 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)CCc1cc(C)on1 1123065968 REVGVHWKNRSVGR-ZFWWWQNUSA-N 277.364 3.594 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2ccsc2)nc1C 781175590 FSTSDPWTYTZIGA-LBPRGKRZSA-N 286.356 3.578 30 20 CHED C=CCCC[C@H](NCc1nc(C2CC2)n[nH]1)c1ccccc1 880389968 LYZAANCNFCGUQK-INIZCTEOSA-N 296.418 3.869 30 20 CHED Cc1ccc(C(=O)OCCCC(C)(C)C#N)cc1C 782052452 LNEVHIZWMVHJRC-UHFFFAOYSA-N 259.349 3.790 30 20 CHED C[C@H](C=NNc1ncncc1Cl)c1cccc(Cl)c1 780282705 PDNMKHJLSAZCPC-SECBINFHSA-N 295.173 3.985 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccc(C)cc1 1125685300 MLQCIMUSPLHVQY-QGZVFWFLSA-N 296.345 3.887 30 20 CHED C#C[C@@H](CC)NC(=O)c1sc2cc(F)ccc2c1Cl 700594884 LBERSSPMHSDJDJ-VIFPVBQESA-N 295.766 3.835 30 20 CHED CS[C@@H]1CC[C@@H](Nc2ncc(Cl)c(C)c2C#N)C1 784161922 JDGVQALMSBJJAD-NXEZZACHSA-N 281.812 3.611 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cccc(C#N)c1F 783883217 IYTJRFULOUXBFX-LBPRGKRZSA-N 295.317 3.600 30 20 CHED C#CCCCNC(C)(C)c1ccccc1Br 390347117 OHUJPQBPAJNTNN-UHFFFAOYSA-N 280.209 3.687 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccnc(Cl)c1 782193741 HQIGVZZUCVLTBW-PLNGDYQASA-N 287.746 3.948 30 20 CHED C=C1CCC(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 890052252 IFTFVYKQTZHSCI-LBPRGKRZSA-N 273.380 3.539 30 20 CHED CS[C@H]1CCC[C@H](Nc2ccc(F)cc2OCC#N)C1 893437135 PYURHCYRGGLHMF-STQMWFEESA-N 294.395 3.814 30 20 CHED CN(CCc1cccc(Cl)c1)Cc1ccc(C#N)cc1 1203905489 PNYBGRXQMQZYPF-UHFFFAOYSA-N 284.790 3.886 30 20 CHED CSCCON=C1CCC[C@@H](c2ncccc2C)C1 799113249 BEPMPJVWTYWAOB-CYBMUJFWSA-N 278.421 3.783 30 20 CHED CCCSC[C@H](C)N[C@@H](C)c1cccc(C#N)c1 893076449 AZUOOYKJORZMOO-STQMWFEESA-N 262.422 3.741 30 20 CHED COc1ccsc1/C=C1\COc2cc(F)ccc2C1=O 794726281 AUNOVGDCQSQAGR-RMKNXTFCSA-N 290.315 3.555 30 20 CHED CC[C@@H](C)NN=C(C)c1nc2ccccc2n1C(F)F 790190892 WCMWAQXRKXIRBV-SECBINFHSA-N 280.322 3.544 30 20 CHED C[C@H]1C[C@@H](Nc2cccc(Br)c2C#N)CS1 397843939 HLOBOKDVABYBRG-DTWKUNHWSA-N 297.221 3.627 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1cc(C#N)cs1 890613324 XWUMQPHLAQAWBL-CQSZACIVSA-N 282.368 3.727 30 20 CHED N#CCCN(Cc1ccc(Cl)nc1Cl)CC1CC1 278714443 UQECXSCTOMKWOU-UHFFFAOYSA-N 284.190 3.514 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1ccnc(F)c1 794922209 PBJJGTDLBBALQX-UHFFFAOYSA-N 294.333 3.913 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1C#N 799342444 QRCITSQTZHKDBH-JJRVBVJISA-N 282.387 3.565 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2ccccc2Cl)c1 1206296520 BTNSYNRRFSQZRI-UHFFFAOYSA-N 299.761 3.842 30 20 CHED Cc1cccnc1NN=C/C=C\c1ccc(F)c(F)c1 794940031 PGNPKQPQPRELBG-QWOCTODRSA-N 273.286 3.779 30 20 CHED C=CCNN=Cc1cnc(-c2ccc(Cl)cc2)s1 794999826 QJAHUTZTCCCNPY-UHFFFAOYSA-N 277.780 3.573 30 20 CHED Fc1cccnc1NN=Cc1cccc(OC(F)(F)F)c1 794991015 VDUXQOJPXCENFT-UHFFFAOYSA-N 299.227 3.565 30 20 CHED C=CCCCOC(=O)C1CC(c2ccc(F)cc2)C1 796111530 ODHJIFBEJBZAEJ-UHFFFAOYSA-N 262.324 3.829 30 20 CHED FC(F)CNN=CCCc1c(Cl)cccc1Cl 790167958 MZVUEAHHGRXZBQ-UHFFFAOYSA-N 281.133 3.767 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](C)c1ccccc1Cl 791008895 RBAWMGKGJMHHDG-NWDGAFQWSA-N 278.783 3.502 30 20 CHED CC(C)CN(CCC#N)CCSc1ccc(F)cc1 755668322 BSOPPSBRDKWIRL-UHFFFAOYSA-N 280.412 3.789 30 20 CHED CCCCCCCCN(C)C[C@H]1CCCN(C)C1 741248709 BEVMEXNDQNQVBY-MRXNPFEDSA-N 254.462 3.621 30 20 CHED CC(C)(C)CC(=O)Nc1ccc(Cl)cc1C#N 695683490 BHVUVOSULPOUBO-UHFFFAOYSA-N 250.729 3.586 30 20 CHED Cc1cscc1NC(=O)Nc1scc(C)c1C#N 1217532377 LBXAHMNIZSBASV-UHFFFAOYSA-N 277.374 3.942 30 20 CHED N#Cc1cccc(CNCc2ccccc2C2CC2)c1 94357675 SOYZSBFTUALEGC-UHFFFAOYSA-N 262.356 3.725 30 20 CHED Cc1cc(N2CCC[C@@]2(C)CC(C)C)ncc1C#N 1307130079 JRSCXSDVBUMAFR-INIZCTEOSA-N 257.381 3.667 30 20 CHED C[C@@H]1[C@@H](Nc2ccc(Cl)c(C#N)n2)CCC[C@H]1C 1161994399 ZRMQUTCNMKLVEN-SCVCMEIPSA-N 263.772 3.843 30 20 CHED COc1cc(/C=C2\Cc3c(C)cccc3C2=O)ccc1F 1319574116 WSMMSMSXLOYROE-MDWZMJQESA-N 282.314 3.965 30 20 CHED C#CCN(CC1CC1)C(=O)CCc1ccc2ccccc2c1 1319460110 WWEWQTVKAIOBTQ-UHFFFAOYSA-N 291.394 3.644 30 20 CHED Cc1cc(=NCc2cc3ccccc3s2)c(C#N)c[nH]1 1639960341 RFXDIFQKNXLOJU-UHFFFAOYSA-N 279.368 3.510 30 20 CHED Cc1nnc(NC[C@@H]2CCCC(C)(C)C2)c(C#N)c1C 1640036372 WECAAXLYJXAIJO-CYBMUJFWSA-N 272.396 3.593 30 20 CHED N#Cc1ccc(CNc2nccnc2C(F)F)cc1Cl 1323395040 JFBFQZIYCOABGT-UHFFFAOYSA-N 294.692 3.551 30 20 CHED Cc1cc(C#N)cc(NCc2cnc3ccc(Cl)cn23)c1 1178945251 OZRWBNCFGQRTRY-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 1328078022 RRJOKTRCFXUPEG-GXTWGEPZSA-N 275.392 3.664 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)/C(=C/c1ccnn1C(C)C)C2=O 1321542424 LUUSIZIFZHPZGD-CJAAZZPWSA-N 296.370 3.861 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccc(C#N)s2)c1 1329947949 RWVXWVACCCGHMA-JKSUJKDBSA-N 297.379 3.775 30 20 CHED C=CCn1cnnc1SCc1ccc(C(C)C)nc1C 1324253716 KDVDEWSKUXCWJH-UHFFFAOYSA-N 288.420 3.583 30 20 CHED Cc1cc(=N[C@@H]2CCC[C@H](C(C)C)CC2)c(C#N)c[nH]1 1650991442 RNQHSWRZFUTJIO-GOEBONIOSA-N 271.408 3.700 30 20 CHED C=CCOC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 1337050489 OEDDVPFDDFNRBH-UHFFFAOYSA-N 269.222 3.530 30 20 CHED C=CCCO[C@@H](C)c1nnc(-c2cccc3ncccc23)o1 1257877010 VAFTXWHVWWHNAK-LBPRGKRZSA-N 295.342 3.939 30 20 CHED N#Cc1cc(Cl)nc(N2CCC[C@@H]2c2ccccc2)c1 1337717601 IAFIOKJRBZKBBD-CQSZACIVSA-N 283.762 3.948 30 20 CHED C=C1CCC(C(=O)NC2CCC3(CCOCC3)CC2)CC1 1334091896 GJNLCFCRGPQFSN-UHFFFAOYSA-N 291.435 3.588 30 20 CHED N#Cc1cc(-c2nc(-c3ccc(F)c(F)c3)no2)cs1 1334856751 IMSLSHXDKPNCBP-UHFFFAOYSA-N 289.266 3.615 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)c1ccco1)c1cccs1 1345106765 XBMOFXQJMXKURM-GWCFXTLKSA-N 275.329 3.789 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1scnc1C1CC1 1346456539 WYBSKDAEAITEIX-GFCCVEGCSA-N 291.420 3.983 30 20 CHED C=C(C)CCC(=O)NCc1csc2ccccc12 1262674846 NORZBECNEZQBQW-UHFFFAOYSA-N 259.374 3.874 30 20 CHED Cc1nsc(NCCCCOc2ccccc2)c1C#N 1346012959 YPJJCYQHUZGPOT-UHFFFAOYSA-N 287.388 3.594 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccccc1 218736136 XGLYIXWOUIWVQZ-UHFFFAOYSA-N 265.356 3.905 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)cc1OC)c1ccccc1 1358223487 WLMYXESKAJRIDQ-INIZCTEOSA-N 295.338 3.875 30 20 CHED CCOc1ccc(NC(=O)c2cc(C#N)ccc2F)c(C)c1 1355418089 NFBZIBLONWAJMR-UHFFFAOYSA-N 298.317 3.657 30 20 CHED C#C[C@H](NCc1cscc1C(F)(F)F)C(C)(C)C 811508106 ZZPMPYYHLYNLAG-NSHDSACASA-N 275.339 3.904 30 20 CHED N#Cc1cc(F)ccc1NCc1ccc(F)c(F)c1 111026759 XPIWCQOBPPBOQT-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1cccc(NC(=O)CCCc2ccccc2Cl)n1 1529720862 OKCRBVKQXCVQGD-UHFFFAOYSA-N 299.761 3.568 30 20 CHED Cc1ccsc1CN[C@@H](C)c1ccc(OCC#N)cc1 112840369 YOYIPEGWBKUYKZ-ZDUSSCGKSA-N 286.400 3.810 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCC[C@H](CCCC(=O)O)C1 1603592321 YCVPJYSVKIPCTF-CABCVRRESA-N 294.439 3.720 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Nc2ccccc2)cn1 1461720859 UTZQZDROLNOHEB-UHFFFAOYSA-N 294.358 3.704 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)cc2F)C1 1530481519 ZMEWYQBUPNOBHI-ZIAGYGMSSA-N 288.366 3.642 30 20 CHED CC[C@H](C)CON=C1CCC[C@@H](CCCC(=O)O)C1 1604955561 INASRLBXJFENMW-STQMWFEESA-N 269.385 3.850 30 20 CHED CC[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)s1 1533952790 HYNJOXOJBDBYPM-ZDUSSCGKSA-N 296.395 3.991 30 20 CHED CC(C)CN(CCc1ccccc1)c1ncccc1C#N 1472738182 FJRFGUVAQZEINP-UHFFFAOYSA-N 279.387 3.658 30 20 CHED Cc1ccc(C(=O)N[C@H](C)CC2CCCCC2)cc1C#N 1540137752 VJIPSCOVWBIYJZ-CQSZACIVSA-N 284.403 3.955 30 20 CHED Cc1cc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ncc1C#N 1472696403 MOQSHAHKLZUEPH-GZBFAFLISA-N 255.365 3.642 30 20 CHED COc1cc(OCc2c(C)cccc2C)ccc1C#N 1473022962 QZWGLPCWLUIECD-UHFFFAOYSA-N 267.328 3.763 30 20 CHED CC(C)CCNc1ccc(C#N)c(Br)c1 228174274 TVLOPTPIEGXFFT-UHFFFAOYSA-N 267.170 3.779 30 20 CHED CC[C@H](CC(=O)Nc1ccc(C#N)cc1C(C)=O)C(C)C 1543531207 FXESJAYJXQGYTH-CQSZACIVSA-N 286.375 3.772 30 20 CHED CC[C@H]1CCN(C(=O)Nc2scc(C)c2C#N)[C@@H]1C 1624564717 YQWIJPJDMMOYQO-MNOVXSKESA-N 277.393 3.581 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C=C(CC)CC 120405332 ULBBUKOMRZXKOL-UHFFFAOYSA-N 257.377 3.948 30 20 CHED CCc1nc(C#N)cc(NCC2(C)CCC(C)(C)CC2)n1 1642804766 KTUWXOJAGQSQCF-UHFFFAOYSA-N 286.423 3.929 30 20 CHED C=CC[C@@H](N[C@H](C)c1sc2ccccc2c1C)C(=O)O 1573352762 JRIRVRSAXXKAIV-DGCLKSJQSA-N 289.400 3.890 30 20 CHED C=C(CC)CS[C@@H](C)c1cccc(-c2nn[nH]n2)c1 1588444322 XGCWQPUVSXPGPE-NSHDSACASA-N 274.393 3.627 30 20 CHED CN(c1nc(C(C)(C)C)ccc1C#N)C(C1CC1)C1CC1 1655060637 BEBXXDKJDASRSM-UHFFFAOYSA-N 283.419 3.876 30 20 CHED CCC1(CC)[C@H](Nc2cccc(F)c2C#N)C[C@H]1OC 1655308688 PMHGDSQTAGMYOA-HUUCEWRRSA-N 276.355 3.703 30 20 CHED C=CC[C@@H](C(=O)O)N1CCc2c(-c3ccccc3)cccc21 1588731582 KRRMCEGTQGRPIB-SFHVURJKSA-N 293.366 3.745 30 20 CHED COc1cccc(NCc2ccc(C#N)c(F)c2)c1C 1659656184 LCCFEWATPWFLGR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCOc1cc(C#N)ccc1OCc1cc(Cl)ccn1 1652403993 XEHVKNOIKLAATF-UHFFFAOYSA-N 288.734 3.584 30 20 CHED C=C(C)CCS[C@@H](C)c1cccc(-c2nn[nH]n2)c1 1588424542 LTRJGRXEMWDVKT-NSHDSACASA-N 274.393 3.627 30 20 CHED N#Cc1ccsc1NC(=O)NCc1ccc(Cl)s1 1671445040 AFPQLMVNBNQASX-UHFFFAOYSA-N 297.792 3.656 30 20 CHED O=C(O)c1ccc(NN=Cc2coc3ccccc23)cc1F 1776074833 XKJVSMZSKCYOBP-UHFFFAOYSA-N 298.273 3.716 30 20 CHED COc1ccc(C(=O)O)cc1/C=C\C(=O)c1ccc(C)cc1 1776114201 IYQCFFUUCZUELW-CLFYSBASSA-N 296.322 3.598 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccc(OC)cc2)cc1 150997044 VNQLJZXXLYUHHJ-OAHLLOKOSA-N 295.382 3.558 30 20 CHED CC(C)c1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)no1 160096651 GBKAYTQVGHWMFC-LLVKDONJSA-N 284.315 3.588 30 20 CHED N#Cc1ccc(CNc2ccc(F)c(F)c2)s1 164780697 HVYOPTZFNCMOGQ-UHFFFAOYSA-N 250.273 3.510 30 20 CHED CC#CCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 166795010 MJKPKAQGFWFDCV-UHFFFAOYSA-N 288.328 3.506 30 20 CHED N#Cc1ccc(CNc2cc(F)ccc2OC(F)F)o1 152351614 JXMZBVJOWNDHHD-UHFFFAOYSA-N 282.221 3.504 30 20 CHED C#CCCCCNC(=O)N(CC=C)CC1CCCCC1 155101073 AFYOURVMXQWHCK-UHFFFAOYSA-N 276.424 3.568 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(F)c(SC)c2)c1 157056921 BJKMRDUFZCVRHF-UHFFFAOYSA-N 285.343 3.781 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 154609162 BBGOFLVDYZYNLU-QGZVFWFLSA-N 299.418 3.526 30 20 CHED CCc1ccc(OCCOc2ccc(C#N)cc2OC)cc1 11955243 LKLKYNSPVWHZOL-UHFFFAOYSA-N 297.354 3.587 30 20 CHED CN(Cc1ccc2c(c1)CCCC2)CC(C)(C)C#N 258968561 UVSFFTYCCCKUGN-UHFFFAOYSA-N 256.393 3.547 30 20 CHED C=C(Cl)COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 917286833 TTWUFDCQKMXCAR-IUCAKERBSA-N 270.678 3.651 30 20 CHED CC(C)c1ccc(C(=O)Nc2sccc2C#N)cc1 14626649 WSFAUWYUQYEMPA-UHFFFAOYSA-N 270.357 3.995 30 20 CHED COc1ccc(NCC(C)(C)CCC#N)c(F)c1 865662091 MQHRLROBXFTRQZ-UHFFFAOYSA-N 250.317 3.576 30 20 CHED CN(Cc1cc(C#N)ccc1F)C1CCCCCC1 35175702 MQKQUUIJSBVPMF-UHFFFAOYSA-N 260.356 3.852 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)cc1 163004376 FXGDSYAHPUEZJT-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CCCCCC[C@H](C)NC(=O)C1(C#N)CCCCC1 44386763 OTAPKUTZWCXAFU-AWEZNQCLSA-N 264.413 3.936 30 20 CHED CC(C)CN(CCC#N)Cc1ccc([N+](=O)[O-])cc1Cl 49963877 MJVQEAJKCPTRII-UHFFFAOYSA-N 295.770 3.620 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc(SC)ccc1Cl 700626209 HTEGGSCWPQQVAT-UHFFFAOYSA-N 293.819 3.547 30 20 CHED C#CCCCNC(=O)c1ccc(Cl)cc1C(F)(F)F 186130856 UWHZCJSKGGLFAI-UHFFFAOYSA-N 289.684 3.502 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCC[C@H]1C 69615551 KTZSXWAIQABFBM-BXUZGUMPSA-N 271.364 3.567 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(C#N)cc1OC 308058895 VDUAAJWFGLJLOK-ZDUSSCGKSA-N 274.364 3.578 30 20 CHED Cc1nc(C#N)cc(Sc2ccc3ccccc3c2)n1 308281981 WGKWPOQBFCHWLR-UHFFFAOYSA-N 277.352 3.961 30 20 CHED C[C@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)c(F)c1 404247957 HDAAVINIILLFNN-BLLLJJGKSA-N 260.356 3.708 30 20 CHED C=CCCOCCNCc1csc(Cl)c1Cl 309519442 AXWJHFOXEAXZDN-UHFFFAOYSA-N 280.220 3.737 30 20 CHED CCC[C@@H](C)NC(=O)Nc1ccc(C#N)cc1Cl 610877555 WHXQXUBYPPCPJD-SECBINFHSA-N 265.744 3.522 30 20 CHED CC(C)c1ccc([S@](=O)Cc2ccc(C#N)cc2)cc1 84260467 LFQOOAUKZLVSGV-FQEVSTJZSA-N 283.396 3.989 30 20 CHED Cc1ccc(CN(C)c2ncc(C#N)cc2Cl)s1 341815365 XDPVUBDUQNJSJN-UHFFFAOYSA-N 277.780 3.613 30 20 CHED CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 361865211 LLGVDRMRRMQHHW-KRWDZBQOSA-N 268.335 3.938 30 20 CHED C=CCC(C)(C)CNCc1cc(Br)ccc1O 379983141 JNRWANGESRLGGU-UHFFFAOYSA-N 298.224 3.847 30 20 CHED COc1ccc(F)cc1CNc1ccc(Cl)c(C#N)c1 380681492 JZLAXOHVMULDTC-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCCCCNc1nc(C(F)(F)F)ccc1C(=O)O 383631210 IYHWLSCXXSYIGT-UHFFFAOYSA-N 288.269 3.567 30 20 CHED CCN(CC#N)C(=O)CC(c1ccccc1)c1ccccc1 57605927 LKKWWWJJLXVIKZ-UHFFFAOYSA-N 292.382 3.581 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)cc2F)C2CC2)o1 51966178 LTJAVHBJGSWFAW-UHFFFAOYSA-N 284.334 3.763 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCC1CCCCC1 58452624 WVPHLSNNRIYAKH-UHFFFAOYSA-N 285.391 3.959 30 20 CHED N#C[C@H](C(=O)CCC1CCC1)c1nc2ccccc2o1 175123125 ORHXODGXPFCCTN-GFCCVEGCSA-N 268.316 3.584 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)c1 106503501 VZQLYXOFFWGPRC-MRXNPFEDSA-N 295.317 3.506 30 20 CHED C#CCCCCC(=O)Nc1cc(OCC)ccc1OCC 179664510 RKFKPDGIYKQTBL-UHFFFAOYSA-N 289.375 3.616 30 20 CHED Cc1nc2c(s1)[C@H](OC(=O)c1ccc(C#N)cc1)CCC2 112765051 YKHBLXWUKKQLNS-CQSZACIVSA-N 298.367 3.558 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCc1ccccc1 303425073 BRCYBABIDTUWQQ-UHFFFAOYSA-N 286.419 3.965 30 20 CHED C=CCN1CCC(N[C@H]2CCCCc3ccccc32)CC1 177911640 HRXXGPNXPJXYLP-IBGZPJMESA-N 284.447 3.694 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@@]3(C)CCCO3)c2c1 301577998 RPQDNLPJQCUXMC-GOSISDBHSA-N 295.386 3.704 30 20 CHED CCN(Cc1cc(-c2ccc(C)cc2)no1)C[C@H](C)C#N 66425069 NWVHIXLBLRDTOR-CQSZACIVSA-N 283.375 3.632 30 20 CHED CCC(CC)(CNc1ccc(C#N)nn1)c1ccccc1 302019169 ZVKROUUIUYDYBX-UHFFFAOYSA-N 280.375 3.518 30 20 CHED N#Cc1c(F)cccc1N1CCc2cc(Cl)ccc2C1 302728074 QEYQBJQFNMWRPU-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CO[C@H]1CC[C@@H](Nc2c(C#N)cnc3c(C)cc(C)cc23)C1 302766164 LLUKMEYGZUEVQQ-CABCVRRESA-N 295.386 3.703 30 20 CHED Cc1ccc(-c2noc(CNc3ccc(C#N)cc3)n2)cc1 66862182 LFBOIFZBYJVBPR-UHFFFAOYSA-N 290.326 3.529 30 20 CHED Cc1ccc2cc(C(=O)N[C@H](C#N)C3CCCCC3)[nH]c2c1 176612262 ARKRCVJSRJGATK-QGZVFWFLSA-N 295.386 3.679 30 20 CHED N#Cc1cccc(CNc2ccc(F)c(Cl)c2)c1 20361084 FQUGJJMTHVIWEL-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCOC(=O)C[C@@H](C)S[C@H](C#N)C1CCCCC1 115198065 AYRZIZDLXZSKNX-DGCLKSJQSA-N 269.410 3.534 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc(Cl)cc2)CC1 177911890 WJBAWITWBDJRII-CYBMUJFWSA-N 278.827 3.641 30 20 CHED C#CCCCNC(=O)CC(c1ccccc1)c1ccccc1 172947799 IFIVHDUGJJDVCJ-UHFFFAOYSA-N 291.394 3.738 30 20 CHED C=CCN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 125673275 IMEDMDGWCAQWDF-CYBMUJFWSA-N 281.831 3.824 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 178550666 DWMOGSNFXJNJKT-CJNGLKHVSA-N 283.375 3.663 30 20 CHED N#Cc1ccc(OCCN[C@H](c2cccs2)C2CC2)cc1 120209341 HISAVBKQIJIYQF-KRWDZBQOSA-N 298.411 3.739 30 20 CHED CC(C)CCSc1ccc(C#N)cc1[N+](=O)[O-] 301468109 MYOFEKDAWCMWQT-UHFFFAOYSA-N 250.323 3.605 30 20 CHED CCC(CC)CC(=O)Nc1ncccc1OCCCC#N 127924884 ZEWCLMABLXBWKC-UHFFFAOYSA-N 289.379 3.529 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CCc2cc(F)ccc21 302824274 GDATZDDVNINSON-INIZCTEOSA-N 277.302 3.668 30 20 CHED N#Cc1ccc(NC2CCN(C3CCCCC3)CC2)cc1 301457728 COIMWBAUDYXAMF-UHFFFAOYSA-N 283.419 3.767 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC=CCC1 77642614 AEZFHBUMAJWBAM-KRWDZBQOSA-N 297.402 3.589 30 20 CHED C=CC[C@@H](CC)NC1CCN(Cc2ccccc2)CC1 281597100 LYZPFKCODWCBMK-QGZVFWFLSA-N 272.436 3.595 30 20 CHED C=C(C)CN(C)C(=O)CCCOc1ccc(Cl)cc1 180383398 XMFFKJANBBBQEK-UHFFFAOYSA-N 281.783 3.534 30 20 CHED C=C(C)[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(F)c(F)c1 186053624 DEXVDTRRWCMRGK-WWGRRREGSA-N 291.341 3.744 30 20 CHED COc1cccc(SCc2ccc(F)cc2C#N)c1 77566280 DWZDOTXZWILWKM-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CCCCCOc1ccc(C(=O)N[C@@H](CC)CC#N)cc1 183830620 RUTOEDFTGJZDEG-HNNXBMFYSA-N 288.391 3.678 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)o1 73977302 FRYJJIJKGQXZKA-GFCCVEGCSA-N 280.283 3.528 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)C(CC(C)C)CC(C)C 410850577 DIVLCGNSVFFYFW-INIZCTEOSA-N 298.496 3.846 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1C 75276200 QARCZNYTWXGIOU-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C[C@H](NC1(Cc2ccccc2)CC1)c1ccc(C#N)cc1 186577851 NCCNHPIIYJZSED-HNNXBMFYSA-N 276.383 3.984 30 20 CHED C=C[C@@H](C)N[C@@H]1CCc2c(F)cc(Br)cc21 122955145 CHENXHSVVXKTCP-AMIZOPFISA-N 284.172 3.740 30 20 CHED Cc1ccc(CCC(=O)N[C@@](C)(C#N)CC(C)C)c(C)c1 503649077 LEWNBXFBYDIQNO-GOSISDBHSA-N 286.419 3.681 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1nc2c(s1)CCCC2 180947539 IXACQYVXUOZLRP-MNOVXSKESA-N 250.411 3.637 30 20 CHED Cc1sc(C(=O)N[C@@H](C)C#N)cc1-c1ccc(F)cc1 128519660 PMWRZUVGCYICFB-VIFPVBQESA-N 288.347 3.505 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](CC)CC1CCCC1 415633943 WQWUTXGQNMJCFU-LSDHHAIUSA-N 264.413 3.744 30 20 CHED C[C@H](CNCC1(C#N)CCC1)c1cccc(Cl)c1 418137119 DDURZLIEOWTCMK-GFCCVEGCSA-N 262.784 3.727 30 20 CHED CCCNCc1cccc(OCc2cccc(C#N)c2)c1 37505229 LFYWVXPIVPVACJ-UHFFFAOYSA-N 280.371 3.637 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C)noc1C1CC1 129620154 BTTSLMWEWIFMIZ-UHFFFAOYSA-N 276.380 3.679 30 20 CHED COC1(CCNc2ccc(C(F)(F)F)c(C#N)c2)CCC1 315448944 KCMKTBHEYZRLRQ-UHFFFAOYSA-N 298.308 3.948 30 20 CHED COc1cccc([C@@H](C)CC(=O)Nc2cccc(C#N)c2)c1 74625754 GBXAPUKYEWRKTC-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED CN(C(=O)c1ccc(C#N)s1)[C@@H]1CCC[C@H]1C(C)(C)C 416281863 AYWGSYQYUXWFBB-CHWSQXEVSA-N 290.432 3.907 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCSc2ccc(F)cc21 414163381 IKLWPEFZDZOFLD-CYBMUJFWSA-N 278.396 3.892 30 20 CHED C=CC[C@H](C)NC(=O)C(C)(C)c1cccc(Cl)c1F 185446619 MPHZPFGCNQSZKX-JTQLQIEISA-N 283.774 3.838 30 20 CHED CC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CCCC1 505693698 HMXSDUMFXJBORJ-CYBMUJFWSA-N 276.767 3.601 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCC2 37748788 YDLWAWXOEAADJQ-AWEZNQCLSA-N 276.383 3.898 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 413987903 OOJIRRSNILFALC-KRWDZBQOSA-N 296.414 3.764 30 20 CHED C[C@@H](SCc1ccccc1)C(=O)Oc1ccc(C#N)cc1 128312054 BRHYHLSYHRXRMO-CYBMUJFWSA-N 297.379 3.786 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Oc1cc(C)ccc1Cl 410136330 VLPYNZRDKRPVEW-STQMWFEESA-N 295.810 3.887 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C 182757171 FJLSQDFBXNSCPA-GFCCVEGCSA-N 291.351 3.770 30 20 CHED CCN(CCCSCC#N)[C@@H](C)Cc1ccsc1 187807807 KJNPWDUCJZPRJD-ZDUSSCGKSA-N 282.478 3.648 30 20 CHED C[C@H](c1ccccc1F)N(C)c1ccc(C#N)c([N+](=O)[O-])c1 317570378 OONAAVHHMPFELH-LLVKDONJSA-N 299.305 3.803 30 20 CHED C=CCn1c(SCc2cc(C)on2)nc2ccccc21 48393337 IUOKESOCFHACNX-UHFFFAOYSA-N 285.372 3.811 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C/c2csnn2)cc1 44025142 UHRLFVIMXFFMAE-BQYQJAHWSA-N 272.373 3.633 30 20 CHED C[C@@H](c1ccc2c(c1)CCC2)[S@@](=O)CCCCC#N 417216282 XXYWPZRZOMKRQN-DJJJIMSYSA-N 275.417 3.679 30 20 CHED C[C@@H](C#N)N(C)C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 410885000 UUBDHFCHPPKSST-PMPSAXMXSA-N 294.439 3.513 30 20 CHED C=CCC1(C(=O)Nc2ncccc2Cl)CCCC1 410642564 NLTMGJYVNPIKGF-UHFFFAOYSA-N 264.756 3.810 30 20 CHED CC1(CC(=O)Nc2cnc(C#N)c(Cl)c2)CCCC1 411035795 VELNVXRYVPKCFF-UHFFFAOYSA-N 277.755 3.516 30 20 CHED CC(C)Oc1ccc([N+](=O)[O-])cc1CSCCC#N 413011160 IODVJRLMKQRNHN-UHFFFAOYSA-N 280.349 3.529 30 20 CHED CCCC[C@H](C)N(C)c1nccc(C#N)c1Cl 379956129 BKDHMKZIZAFSSA-JTQLQIEISA-N 251.761 3.622 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 47740125 RKYDUWXVEUHJEY-UHFFFAOYSA-N 289.382 3.842 30 20 CHED C#CCCCC(=O)NCc1ccc(C)cc1OC(C)(C)C 192149440 SZRUKEYJYSYXIK-UHFFFAOYSA-N 287.403 3.592 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2c[nH]nc2-c2ccccc2)CCC1=O 328928940 GWCDWRDAGWGQHW-DGCLKSJQSA-N 297.358 3.670 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1csc(C2CC2)n1 134511493 DQNQVOJOIODWRE-LJQANCHMSA-N 296.461 3.599 30 20 CHED C=CCOc1cccc(NC(=O)NCCC(C)(C)C)c1 48955453 RJMJZQWKSREAAU-UHFFFAOYSA-N 276.380 3.809 30 20 CHED Cc1ccc(CN(CCC#N)Cc2ccccn2)cc1Cl 193881051 NPDVCIYQTLPZBY-UHFFFAOYSA-N 299.805 3.959 30 20 CHED C[C@@H]1Cc2ccccc2[C@@H]1/N=C(/O)[C@H]1CCCCC(O)=N1 329833944 GRGFQMYINHJJNS-DJSGYFEHSA-N 286.375 3.776 30 20 CHED CC(C)(CNC(=O)CCc1ccc(C#N)cc1)C1CCCC1 130833443 HCYWOEPTGHWWHL-UHFFFAOYSA-N 298.430 3.823 30 20 CHED CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(OC)cc1 192147924 MJFHTXGLUZWBOF-SFHVURJKSA-N 298.361 3.947 30 20 CHED C[C@H](/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)[C@@H]1CCCCO1 329956753 LKOKVNKAWVDDPC-ABHRYQDASA-N 295.423 3.542 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(c2ccc(C#N)cn2)C1 425284150 PYPKXPQIPWHFQC-INIZCTEOSA-N 277.371 3.931 30 20 CHED CC(=O)c1ccc(NCCCC(C)(C)C#N)cc1C 135078461 NDKFKVIVNXTVML-UHFFFAOYSA-N 258.365 3.940 30 20 CHED N=C(O)C1(C/N=C(/O)[C@@H]2CC23CCCC3)CCCC1 329970739 VCMVIMWVMRWOHG-NSHDSACASA-N 264.369 3.619 30 20 CHED CC(C)c1ccc(CN(C)C(=O)NCC(C)(C)C#N)cc1 512893798 DQYCLRXTZAOLKK-UHFFFAOYSA-N 287.407 3.501 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCCC[C@@H]1C 425607516 NQJCRYFLCUKZHX-FZMZJTMJSA-N 284.359 3.526 30 20 CHED Cc1c(C#N)cccc1NCc1scnc1C1CC1 426163902 UPBPTDQKRSAXBO-UHFFFAOYSA-N 269.373 3.813 30 20 CHED CC(C)(C)[C@H]1C[C@@H](NCc2ccc(C#N)s2)CS1 421347599 CSCKMVHDWKZYGC-ZWNOBZJWSA-N 280.462 3.630 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccc(Cl)c(C#N)n1 81005515 XCBMKDJHYFMNKR-GYSYKLTISA-N 275.783 3.764 30 20 CHED Cc1oc2ccc(N=C(O)N[C@H]3CCC[C@H]3C#N)cc2c1C 330051303 NGKGOVSPJYLIIT-WFASDCNBSA-N 297.358 3.877 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N(CC)C[C@@H](C)C#N 424610672 WQRSTUVWGPAKSX-GOEBONIOSA-N 286.419 3.572 30 20 CHED C=CCCCCCSCC(=O)c1cccn1C 192548542 YRLLCFCZMSDTKE-UHFFFAOYSA-N 251.395 3.687 30 20 CHED N#Cc1ccc(C[S@](=O)c2cccc(Cl)c2)cc1 84255813 DOFBWTYTVREQTB-GOSISDBHSA-N 275.760 3.519 30 20 CHED C[C@@H](NCCNC1CCCCCC1)c1cccc(C#N)c1 423275252 LJSRNQYCMZWJEK-OAHLLOKOSA-N 285.435 3.521 30 20 CHED C=C(C)CNC(=O)Nc1cccc(OCCC(C)C)c1 429366975 MTSHBIFNWJMMTJ-UHFFFAOYSA-N 276.380 3.809 30 20 CHED C[C@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccsc2S1 424318187 CQHNVCFJFQMIAR-KQXIARHKSA-N 278.446 3.955 30 20 CHED CC(C)[C@H](CNCc1cc(C#N)n(C)c1)Cc1ccccc1 191623468 LGWBKKXKAPXWHQ-SFHVURJKSA-N 295.430 3.501 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccccc1C(F)F 425701728 LUGJCBCKZLTFRZ-UHFFFAOYSA-N 281.306 3.638 30 20 CHED N#C[C@@H]1CCC[C@H]1/N=C(/O)c1ccccc1OC(F)(F)F 330667209 SYVWVJKEFUKQRZ-GXSJLCMTSA-N 298.264 3.582 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C1 237586148 FNNIEZMUWKRDBE-IIAWOOMASA-N 272.392 3.646 30 20 CHED CC(F)(F)c1cccc(-c2noc(C3(C#N)CCC3)n2)c1 334667535 CVPGDHXEYNGFQC-UHFFFAOYSA-N 289.285 3.794 30 20 CHED Cc1cnc(C/N=C(/O)[C@H]2CCSc3ccccc32)o1 330117378 WYHMWLRSERUGPQ-LBPRGKRZSA-N 288.372 3.719 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@H]1OCCc2sccc21 426344368 IHPBLLZXNKHVHI-BCUIYNNISA-N 279.449 3.941 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1Oc1ccncc1 338199854 ZCXGSTAFGQLCFE-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED CC[C@](C)(/N=C(/O)[C@@H]1CCCOCC1)c1nc(C)cs1 330149383 VCMGGYKAPQKFHD-DOMZBBRYSA-N 296.436 3.850 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)cnc1N1CCCC[C@@H]1C 332389690 LIVQIUAVHYMGKI-HRCADAONSA-N 298.434 3.873 30 20 CHED C=C(C)CN(CC)CC(=O)Nc1cccc2ccccc12 98068903 LNJQVHOURRDFDA-UHFFFAOYSA-N 282.387 3.676 30 20 CHED CC(=O)c1cc(/C(O)=N/C[C@H]2CC=CCC2)c(C)nc1C 331166962 YLNDHFSMGCBJPC-AWEZNQCLSA-N 286.375 3.562 30 20 CHED N#CCc1ccc(C(=O)N2CCc3cc(Cl)ccc32)cc1 335373138 MDCQUSYCALTGPK-UHFFFAOYSA-N 296.757 3.609 30 20 CHED CC(C)Cc1ccc([C@@H](C)NC(=O)C2(C#N)CCC2)cc1 332452985 GSAZOQIZFBDKLE-CQSZACIVSA-N 284.403 3.756 30 20 CHED O=C(/C=C\c1cccc2c1OCO2)c1ccc(F)c(F)c1 97152218 RUHDBQNXRHHBBW-ALCCZGGFSA-N 288.249 3.590 30 20 CHED CC1(C)CC[C@@H](C(=O)Nc2ccccc2CC#N)C1 335491764 TWSGKNGPPFPZNI-CYBMUJFWSA-N 256.349 3.517 30 20 CHED CC(C)(CC(=O)NC1(C#N)CCC1)C1CCCCC1 331883433 OCHSRDYEFDQZLC-UHFFFAOYSA-N 262.397 3.545 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 435078792 UZQGYHQSGWYTMM-WMLDXEAASA-N 296.414 3.675 30 20 CHED C=CCCOCCN[C@@H]1CC[C@](C)(c2ccccc2)C1 437782045 XZEQZIIVYRCGAD-MSOLQXFVSA-N 273.420 3.679 30 20 CHED CCOc1ccc(CNc2ncc(C#N)cc2Cl)cc1 339134558 CWEOZIPLBPJZDB-UHFFFAOYSA-N 287.750 3.617 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C2CCC2)cc1 437471744 WZKFILFYAVLWBL-QZTJIDSGSA-N 299.414 3.665 30 20 CHED Cc1cccc(C)c1C[S@](=O)Cc1ccc(CC#N)cc1 342234370 AAYQLIBASOPGJG-OAQYLSRUSA-N 297.423 3.818 30 20 CHED CC(C)C1(CN[C@H](C)c2ccc(C#N)c(F)c2)CC1 346131740 HTFZMRNUOGPJQF-GFCCVEGCSA-N 260.356 3.784 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1 341486261 SBCOHMQEMTVQHW-UHFFFAOYSA-N 299.374 3.840 30 20 CHED C=CCCCCCN(C)C(=O)c1c(F)cccc1OC 346331380 GLYHNODDNOGERP-UHFFFAOYSA-N 279.355 3.653 30 20 CHED COc1ccc2c(c1)CC[C@@H]2NCC1CCC(C#N)CC1 601280317 NPGRXOVRKMFWFA-JRSKDTKFSA-N 284.403 3.602 30 20 CHED CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H](C)C#N)cc1 345812392 XTFCCTNMVROMHK-VXGBXAGGSA-N 276.405 3.524 30 20 CHED Cc1cc(C#N)ccc1CSCc1noc(C2CCC2)n1 600650567 MSUDJFPYUFJVBM-UHFFFAOYSA-N 299.399 3.951 30 20 CHED O=C1/C(=C\c2nc(-c3ccccc3)c[nH]2)Cc2ccccc21 255105220 QUIYJHOINVZYRJ-PTNGSMBKSA-N 286.334 3.899 30 20 CHED CN(CCCCN1CCCCC1)CCCCC(C)(C)C#N 603117299 FKEDUDRVYROPPX-UHFFFAOYSA-N 293.499 3.904 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 604880144 WUJQMPOJBNISIO-STQMWFEESA-N 296.414 3.987 30 20 CHED CC(C)N(C(=O)Cc1ccc(C#N)cc1)c1ccccc1 522923600 SSENALCCFDQCKI-UHFFFAOYSA-N 278.355 3.542 30 20 CHED COc1ccc(C(C)=O)c(OCc2ccc(CC#N)cc2)c1 342498088 XNANVWODWQLPMF-UHFFFAOYSA-N 295.338 3.543 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](c2ccc(F)cc2)C1 602469749 WLPYLWJOLQNIJX-DZGCQCFKSA-N 260.356 3.555 30 20 CHED COCCOc1ccc(/C=C\C(=O)c2ccccc2)cc1 255094941 AAPONYUJRVXFJW-XFXZXTDPSA-N 282.339 3.608 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1(CCC)CC1 348343758 ADJLDJIHQQRWGZ-UHFFFAOYSA-N 282.387 3.653 30 20 CHED CCCCOc1cccc(CNC[C@H](C)CCC#N)c1 602517332 YTHHAXUWJJXRDJ-OAHLLOKOSA-N 274.408 3.895 30 20 CHED C=CCNC(=O)[C@H](C)SC[C@H](CC)CCCC 609237867 VRZKGMXLYSVEJJ-QWHCGFSZSA-N 257.443 3.627 30 20 CHED CSc1cc(F)ccc1NC[C@H](C)CCC#N 602704358 VWYWKMHTVWGYOV-SNVBAGLBSA-N 252.358 3.899 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc(F)c(Cl)c1 255135484 DZFQXZRGLFGZRN-XQRVVYSFSA-N 278.714 3.592 30 20 CHED CC1(C#N)CCC(N[C@H](c2ccccc2)[C@@H]2CCCO2)CC1 449099928 PHFSRLXBZUYCQF-CXUOOODFSA-N 298.430 3.969 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(C)c(OC)c1 446808191 JRRBVTGYFJTELD-UHFFFAOYSA-N 296.370 3.886 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(F)c(C)c1 606817396 ZRJCIASDNMMNRL-UHFFFAOYSA-N 263.356 3.953 30 20 CHED C=C(C)CCN1CCC(OCc2ccccc2OC)CC1 351752092 MPNYQLPKUUTYAM-UHFFFAOYSA-N 289.419 3.642 30 20 CHED CC#CCNC(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 534207327 QGXTUJWNYQYVMF-CQSZACIVSA-N 298.386 3.939 30 20 CHED CCO[C@@H](CCN[C@@H]1CCc2ccc(C#N)cc21)C(C)C 353257443 QJNCVUWHDHXWSB-MSOLQXFVSA-N 286.419 3.586 30 20 CHED Cc1cccc2c1CCCN2CCOc1ccc(C#N)cc1 609625842 JXGDXPKUXAWBLP-UHFFFAOYSA-N 292.382 3.698 30 20 CHED CC[C@@H](NCc1scnc1C)c1ccc(C#N)cc1 447563625 RDAGVSPCBWDCOZ-CQSZACIVSA-N 271.389 3.564 30 20 CHED COC[C@H](Nc1c(F)cc(C#N)cc1F)c1ccc(C)o1 267545768 QQLFQMBNTVRMSO-ZDUSSCGKSA-N 292.285 3.538 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 448909007 HYRBQQZNOLIZEZ-HRCADAONSA-N 276.424 3.601 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(C2=CCCC2)cc1 354426777 KZBXENCIMRVEML-CYBMUJFWSA-N 255.361 3.948 30 20 CHED N#CCCSc1ccccc1NC[C@@H]1CCCOC1 532708699 MYMNBYYZDGILRU-ZDUSSCGKSA-N 276.405 3.531 30 20 CHED CCc1c(NCc2ccccc2C#N)cnn1CC(C)C 611442758 UPODAJJCNANULU-UHFFFAOYSA-N 282.391 3.585 30 20 CHED C=CCOc1cccc(CN=c2cc(C)n([C@H](C)CC)[nH]2)c1 538488634 OFZQCTMIBMJKMY-CQSZACIVSA-N 299.418 3.761 30 20 CHED C=C(CC)CSCc1cc(C(=O)OC)c(C)o1 358637022 PLBXRQUQVBBXOT-UHFFFAOYSA-N 254.351 3.574 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 264430231 KNJIBDVHENIADI-BVGQSLNGSA-N 292.382 3.561 30 20 CHED O=C(NCC#Cc1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 535906583 OLBXXIDBXSCIIA-GBESFXJTSA-N 295.426 3.761 30 20 CHED CS[C@@H](C)CCC(=O)Nc1sc(C)c(C)c1C#N 358924789 RACDLCBVLKGHIE-QMMMGPOBSA-N 282.434 3.707 30 20 CHED CCCC[C@H](S[C@@H](C#N)Cc1ccccc1)C(=O)OC 619460581 FVLCAAFCYBCTCA-CABCVRRESA-N 291.416 3.586 30 20 CHED CCN(Cc1ccc(C)cc1)Cc1cc(C#N)cs1 536638627 PMOZONSYZACSDG-UHFFFAOYSA-N 270.401 3.950 30 20 CHED C=CCC1(NCc2ccc(C#N)s2)CCCCC1 449576144 QIYYQIPWHQKCRD-UHFFFAOYSA-N 260.406 3.988 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2/C=C/c2cccs2)o1 359864444 BHRNHAVDBYQNTB-LJLILKBBSA-N 284.384 3.891 30 20 CHED N#Cc1ccc(CNc2cccc(OCCF)c2)c(F)c1 355414281 DTBAMQDLXSAGRO-UHFFFAOYSA-N 288.297 3.658 30 20 CHED CCN(CCC#N)Cc1ccc(SC(C)C)cc1 358038302 SBTGXFMNXILLSW-UHFFFAOYSA-N 262.422 3.923 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C2CCC(C)(C)CC2)C1 532281834 VSVVMYHLHHYRIW-DYVFJYSZSA-N 276.424 3.791 30 20 CHED C[C@H](Nc1ccc2c(c1)ncn2C)c1ccc(C#N)c(F)c1 611483179 GRMXLJRCMAVUPO-NSHDSACASA-N 294.333 3.757 30 20 CHED C[C@@H](CC#N)N(C)Cc1cnc(C2CCCCC2)s1 538740246 XTSSRZOWXVONLX-LBPRGKRZSA-N 277.437 3.925 30 20 CHED C=CCOc1ccc(/C=C/c2nc(C3CC3)no2)cc1OC 264607874 NETRPTBXBKJDQH-WEVVVXLNSA-N 298.342 3.691 30 20 CHED C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@@](F)(C#N)C1 615641453 SMTWGRSQPUZZCW-TVQRCGJNSA-N 287.165 3.992 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc2occc2s1 613364998 GOAOCPCSUJZJHT-CQSZACIVSA-N 276.361 3.552 30 20 CHED CC(C)COc1ccc(C(C)(C)NCC2(C#N)CC2)cc1 539491909 WUAHKRVOQIABEY-UHFFFAOYSA-N 286.419 3.850 30 20 CHED CCC(C)(C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 362551205 JBBMXQVXFJTHNO-GFCCVEGCSA-N 258.365 3.562 30 20 CHED C=CCOCCSc1nc2cc(Cl)ccc2n1C 549350885 BQILMHGJWDWWCD-UHFFFAOYSA-N 282.796 3.521 30 20 CHED CCCN(C(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 455702391 LHVAFGURATVGSH-UHFFFAOYSA-N 291.782 3.812 30 20 CHED CC(C)CC(CC(C)C)C(=O)N[C@H](C#N)C(C)(C)C 450116795 RXKPJAAEBMKFPV-CQSZACIVSA-N 266.429 3.749 30 20 CHED Cc1nc(C(C)C)ccc1Cn1nc(C#N)c2ccccc21 549055857 KKVHLIBXONBPAR-UHFFFAOYSA-N 290.370 3.783 30 20 CHED C=C(C)CSc1nnc(CCc2ccccc2)o1 361421058 QWJPINRYRJDWMK-UHFFFAOYSA-N 260.362 3.523 30 20 CHED C=CCOCCN[C@@H](c1ccccc1C)C(C)(C)C 549535973 NQUFCGMJNIRZAD-INIZCTEOSA-N 261.409 3.874 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](CCOC)c1ccco1 272566153 OJPOGFZCOQUHDS-MJBXVCDLSA-N 251.370 3.548 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccnn1C(C)C 279754091 YHUGXMBVSUJWQN-UHFFFAOYSA-N 296.418 3.748 30 20 CHED Cc1csc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)c1 452759936 RFIKJRYIHQWEIB-UHFFFAOYSA-N 298.411 3.788 30 20 CHED C=C(C)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 278039202 CDHASRMNIHGQBD-UHFFFAOYSA-N 299.336 3.877 30 20 CHED Cc1ccsc1-c1nnc(S[C@@H]2CC[C@H](C#N)C2)o1 278524007 HAJWUKOOWJBSJE-VHSXEESVSA-N 291.401 3.891 30 20 CHED CCCN(CC#N)C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 454913197 BTGGTKMDZNBMAH-LLVKDONJSA-N 298.308 3.728 30 20 CHED C=CCC1(CN[C@@H](C)c2cnc(C)nc2C)CCCC1 453360218 JSADHPCTSYLRQG-ZDUSSCGKSA-N 273.424 3.881 30 20 CHED C=CCN(CCOC)C(=O)c1cc(-c2ccccc2)oc1C 626638341 MHCZEKMASTUAGH-UHFFFAOYSA-N 299.370 3.530 30 20 CHED CC[C@H](NC(=O)c1cccc(C#N)c1C)C1CCCC1 456662683 PPFWKQVNWALZPQ-INIZCTEOSA-N 270.376 3.565 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2c3c(cccc13)CC2 278162345 AORSCFRXNHHSPU-UHFFFAOYSA-N 278.355 3.817 30 20 CHED CSCCCCC(=O)Nc1ccc(CC#N)cc1Cl 452640760 BZCSPCLGKSNWJX-UHFFFAOYSA-N 296.823 3.878 30 20 CHED C=Cc1ccc(CCNCc2ccc(C#N)cc2F)cc1 462906636 MUQJOZMPUXXRSU-UHFFFAOYSA-N 280.346 3.673 30 20 CHED CC1CCC(CNC(=O)[C@H](C#N)CCc2ccccc2)CC1 469563308 GLBFKBZWJLXHCY-VJFUWPCTSA-N 298.430 3.701 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@@H](C#N)C(C)(C)C)cc1 464716166 ZMBVMXHEUXLTKJ-INIZCTEOSA-N 286.419 3.797 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 620858330 DXCXBZQGBWDYRQ-JSGCOSHPSA-N 293.357 3.929 30 20 CHED C=CCOc1c(Cl)cc(CN[C@@H](C)CC=C)cc1OC 623422700 AWCLQAUONXPIAJ-LBPRGKRZSA-N 295.810 3.968 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccoc1CC 281905275 FWGJTBUZDYFGNK-UHFFFAOYSA-N 296.370 3.766 30 20 CHED CC(C)c1ccc2occ(C(=O)N(C)CCC#N)c2c1 285992754 LXOKVJMXUOGRHU-UHFFFAOYSA-N 270.332 3.542 30 20 CHED C=CCCCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 280936494 FUUXSBWQVKHSPB-UONOGXRCSA-N 263.768 3.668 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1OC(C)C 466379159 VUMVEZOYUZMAEM-ZDUSSCGKSA-N 276.380 3.950 30 20 CHED Cc1cc2cc(CNC(=O)C3(C#N)CCCCC3)ccc2[nH]1 286417800 FQZDENJXSZTUPP-UHFFFAOYSA-N 295.386 3.567 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 286221136 CZAAVTCCNHXEIZ-NVXWUHKLSA-N 269.388 3.790 30 20 CHED CCCCCCCCn1ccnc1[C@@H](O)c1cccnc1 289321959 CJLFKAHWZQKVEV-INIZCTEOSA-N 287.407 3.720 30 20 CHED C=CCCCC(=O)Nc1cnc(C(F)(F)F)cc1C 464655825 RPKULSDVSVMTDC-UHFFFAOYSA-N 272.270 3.704 30 20 CHED N#CCN(C(=O)CC1CC(c2ccccc2)C1)C1CCCC1 282094205 AZRAZSATZLVCSW-UHFFFAOYSA-N 296.414 3.865 30 20 CHED C=CCNC(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 467765521 DLMXDACDPPCPEA-UHFFFAOYSA-N 289.162 3.700 30 20 CHED C[C@H](N[C@H]1CCC[C@H]1F)c1ccc(C#N)cc1Cl 551302608 VNHVXZFJPKTYPJ-FZZIBODNSA-N 266.747 3.753 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)CC1 476074537 VHLXNODERNKRID-HUUCEWRRSA-N 293.451 3.690 30 20 CHED CC(C)(CCC#N)CN[C@H]1C[C@H](c2ccc(F)cc2)C1 552071524 MKMIXFOYUFUSED-KOMQPUFPSA-N 274.383 3.991 30 20 CHED C[C@@H]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)[C@H](C)C1 551573638 XJMNCVKMTJUNNT-CKEIUWERSA-N 268.404 3.962 30 20 CHED C=CCOc1cccc(CN2CCC(F)(F)[C@H](C)C2)c1 555099229 KZFWXHRKXUTLRO-CYBMUJFWSA-N 281.346 3.729 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)OCCO[C@H](C)C#N 801838663 GBJFMJIQNSSIKT-GDBMZVCRSA-N 295.423 3.845 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@H]1CF)c1ccccc1 296633032 ZAUCBIMHWRHKJV-HOTGVXAUSA-N 290.382 3.837 30 20 CHED C=C(C)CN(C)C(=O)CCc1ccc(-c2ccccc2)[nH]1 479289255 RKSHRUPTKDAIBI-UHFFFAOYSA-N 282.387 3.649 30 20 CHED C=CCC[C@H](O)CN(C)Cc1c(Cl)cccc1Cl 472779061 PNYXCZZIRFTBIT-NSHDSACASA-N 288.218 3.752 30 20 CHED C=CCC[C@H](NC[C@](C)(O)[C@@H](C)CC)c1ccco1 552043763 BDSDASUEANMPTP-DZKIICNBSA-N 265.397 3.674 30 20 CHED CCCCN(CCO[C@H](C)C#N)[C@@H](C)c1ccc(C)o1 801915062 JDUSMHQNJPWOJF-CABCVRRESA-N 278.396 3.680 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)CCCC#N)ccc21 292411324 SQJSUSNACYFRNA-UHFFFAOYSA-N 283.375 3.930 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)Cc2nc(Cl)ccc21 806580073 ZVEKNVAZQJMQLA-WEVVVXLNSA-N 291.684 3.836 30 20 CHED CC[C@H](CC#N)NCCCOc1cccc2ccccc12 565171951 JRAWIFPDIFQRIW-MRXNPFEDSA-N 282.387 3.891 30 20 CHED Clc1ccc(C#CCNC2(C3CCC3)CC2)cc1 649808753 OPXUESYQQNYRFO-UHFFFAOYSA-N 259.780 3.614 30 20 CHED Cc1c(C(=O)NC2(C#N)CCC2)sc2ccc(F)cc12 299529592 SIGBLBAKILUSPW-UHFFFAOYSA-N 288.347 3.525 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccc(C=C)cc1 804834121 XXWXISIFBFMOHW-UHFFFAOYSA-N 275.351 3.605 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](c3ccc(OC)cc3)C2)CC1 475456970 FSODUNWCALRMGS-INIZCTEOSA-N 299.414 3.758 30 20 CHED C=CCCCCNC(=O)NCCc1c(C)[nH]c2ccccc12 472849753 JOXAXSZPSDVKIM-UHFFFAOYSA-N 299.418 3.674 30 20 CHED C#C[C@H](CC)NCc1cc(-c2ccccc2)ccc1O 809686460 UGVRHVUSIVKWKL-QGZVFWFLSA-N 265.356 3.561 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cccc(-c2ccccc2)c1 806761649 IAOPLKRTMCRPOE-INIZCTEOSA-N 278.355 3.887 30 20 CHED C=CCCCCNC(=O)c1cnn(-c2ccccc2C)c1C 471689860 VLTARGFCPOIKAC-UHFFFAOYSA-N 297.402 3.575 30 20 CHED C#Cc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 809547141 LOTFLPDKWZVXSK-UHFFFAOYSA-N 291.394 3.711 30 20 CHED C[C@H]1Oc2cc(F)ccc2[C@@H]1Nc1cccc(F)c1C#N 563257123 YXESQAQQFHJTDU-JDNHERCYSA-N 286.281 3.771 30 20 CHED C[C@H](NC(=O)NCCCCC#N)c1cccc(C2CC2)c1 296322441 KWQNBQKKWRTQOR-ZDUSSCGKSA-N 285.391 3.618 30 20 CHED C=CCN(C(=O)[C@@H](C)Sc1ccccn1)c1ccccc1 647741781 IIQTZPJCBQRBSH-CQSZACIVSA-N 298.411 3.781 30 20 CHED C#C[C@H](C)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 809682907 IFAYYTSQTHTVJL-TUKIKUTGSA-N 281.321 3.953 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccccc1C(F)(F)F 489741442 OIHQZQKHGAQXEF-UHFFFAOYSA-N 299.336 3.966 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCOc1cc(C)ccc1C 488830471 FLTJSCVBNWISGE-INIZCTEOSA-N 287.403 3.639 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1nccc2ccccc12 811699834 XQIKMYOKIVCXTP-SOFGYWHQSA-N 293.297 3.976 30 20 CHED CCCn1c(C=NOCCC2CC2)nc2ccccc21 814245625 AEQPULDUBAWPJM-UHFFFAOYSA-N 271.364 3.597 30 20 CHED C=CCC1(NCc2cccc(OCCC)c2)CCOCC1 657632892 BDHCNCQMRNGKHB-UHFFFAOYSA-N 289.419 3.690 30 20 CHED C#C[C@H](NC(=O)[C@H](C)CCCC)c1ccc(Cl)cc1 811950224 ZECSWLUNRGZZAI-DOMZBBRYSA-N 277.795 3.957 30 20 CHED Fc1cc(F)cc(C2CC(=NOC/C=C/Cl)C2)c1 814933910 FCWJMIUKDDPWSI-NVSDEYLESA-N 271.694 3.967 30 20 CHED N#Cc1ccc(CCNc2ccc3c(c2)C(=O)CCC3)cc1 656649830 KIENXQIPRNRKDV-UHFFFAOYSA-N 290.366 3.732 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1ccc(Cl)c(N)c1 814900558 YLLOWAYEJCTHJV-UHFFFAOYSA-N 299.765 3.635 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCc1ccc(CC#N)cc1 571124143 OXRDWBLQWYOIOC-ZIAGYGMSSA-N 256.393 3.667 30 20 CHED C(=NNc1nccnc1C1CCC1)c1ccc2[nH]ccc2c1 811650193 ONEVCAFKLLTTBC-UHFFFAOYSA-N 291.358 3.671 30 20 CHED N#Cc1ccc(CN(CC2CC2)c2ccccc2)cc1 481124418 ZAAUTPVGHCGWQB-UHFFFAOYSA-N 262.356 3.975 30 20 CHED C=CCCN[C@@H](C)c1ccc(F)cc1OC(F)F 658117670 YHLXGTXMWVILKZ-VIFPVBQESA-N 259.271 3.654 30 20 CHED C=CCC(C)(C)CNCc1cc(Cl)cc(F)c1O 816627550 QMSCWPBLMCQSBF-UHFFFAOYSA-N 271.763 3.877 30 20 CHED C=CCC[C@@H](NC[C@@]1(C)OCCc2sccc21)C1CC1 570977945 IHPLMRMRQCNRQS-NVXWUHKLSA-N 291.460 3.870 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(OC(C)C)cc1 810153846 FHCBUVYOGMVUFA-UHFFFAOYSA-N 293.366 3.636 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)cc1F 811694323 RNMIMYXLLGBJDR-SREVYHEPSA-N 294.260 3.604 30 20 CHED CCc1cnc(C=NNc2ccccc2CC)s1 814802240 XWDGZRHMNULRCE-UHFFFAOYSA-N 259.378 3.714 30 20 CHED Cc1cc(N2CCC[C@@H]2c2ccc(F)cc2)cc(C#N)n1 576453609 XFVLEHNPWGMWNP-QGZVFWFLSA-N 281.334 3.742 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nn(C(C)C)cc1Cl 829723090 MYPOAIRZRWLTTL-JTQLQIEISA-N 269.776 3.658 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)[C@]1(C#N)CC12CCCC2 579796754 KXLKORPUGFOZFE-VQIMIIECSA-N 294.398 3.573 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1ccc2occc2c1 665960347 WWLBPFPKUPGPHC-HNNXBMFYSA-N 284.359 3.683 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(C(F)F)c1 491095404 KMTHQZZGLSVCLG-NSHDSACASA-N 266.291 3.548 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Br)ccc1O 490673928 RBXHAJNODYFRMK-UHFFFAOYSA-N 298.180 3.696 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1cnc2ccccc2n1 820854127 ZUJUOYXVKXAQEW-HZSPNIEDSA-N 293.370 3.632 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC)C(C)(C)c1ccccc1 497506059 PJAPAMPKCLTPNV-INIZCTEOSA-N 288.435 3.960 30 20 CHED C=CCC(CC=C)C(=O)OC[C@]1(C)C[C@]1(F)Cl 821880313 RACUJTXCNGRWBT-QWHCGFSZSA-N 260.736 3.613 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 728711478 ARKVIVVDFMIVFE-LEUOFYLZSA-N 298.430 3.893 30 20 CHED COc1cc(C#N)ccc1COc1cc(C)ccc1F 499302011 RFHGHAHERCMBNW-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CC1(C)CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F 492937894 SGBYGZAURPKMBB-CQSZACIVSA-N 294.345 3.828 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1cccc(O)c1)CO2 737445197 YAMUZURFXSJNGB-RIYZIHGNSA-N 280.323 3.668 30 20 CHED C=CCCCCCNc1cccc(-c2cn(C)nn2)c1 663285426 RGEMQSVSQODKJT-UHFFFAOYSA-N 270.380 3.640 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CCC1CCC1 1331916608 TXQZGDAWAFVRJY-UHFFFAOYSA-N 262.740 3.730 30 20 CHED C=C[C@@H](Cc1nc(-c2ocnc2C)no1)c1ccccc1 820912420 QKXOBXCAKABJGW-LBPRGKRZSA-N 281.315 3.545 30 20 CHED Cc1noc(Cc2ccc(NCCCC(C)(C)C#N)cc2)n1 901452910 PTNKQBVRTTWBBB-UHFFFAOYSA-N 298.390 3.711 30 20 CHED COc1ccc(C)cc1Cc1noc(CCCCCC#N)n1 589080695 WWFLMOHDXOREBW-UHFFFAOYSA-N 299.374 3.604 30 20 CHED CCCSCC(C)=NNc1oc(C(C)(C)C)nc1C#N 901182852 VCVLQOXBODRSOE-UHFFFAOYSA-N 294.424 3.775 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@](C)(C#N)C2CCCCC2)C1 581092186 YAMBSMBBDLLFQJ-CXAGYDPISA-N 276.424 3.791 30 20 CHED CC(C)(C)c1nnc(CSc2ccc(C#N)cc2)o1 735415400 ISQHSKMIDNQHNM-UHFFFAOYSA-N 273.361 3.531 30 20 CHED C=CCC1(N[C@H](C)CCc2ccsc2)CCOCC1 668550701 DSXJWKLDRVJASW-CQSZACIVSA-N 279.449 3.784 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(F)c(COC)c2)no1 664961720 BZTXDKKWYMSRDB-UHFFFAOYSA-N 298.264 3.690 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1ccc(C#N)cc1 736033755 MSIBUJMKFWZMMN-TYNCELHUSA-N 257.333 3.540 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccsc1 901838317 YNYOQDBWSMJYOH-GFCCVEGCSA-N 281.446 3.570 30 20 CHED c1ccc2[nH]c(NN=C3CCC[C@@H](C4CC4)C3)nc2c1 737418224 RQAFESQIWNUCNG-GFCCVEGCSA-N 268.364 3.931 30 20 CHED N#CCCCCCC(=O)OCCc1cccc2ncccc12 835662949 TXGQYRNEVXQXSL-UHFFFAOYSA-N 296.370 3.795 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1sccc1C 733746834 DGQMOLZSSBJUPQ-UHFFFAOYSA-N 288.376 3.876 30 20 CHED CCO[C@H]1CC(=NNc2c(F)cccc2F)C1(C)C 736430851 KHHVTEYFFWEIMC-LBPRGKRZSA-N 268.307 3.568 30 20 CHED Cc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)nn1C(C)C 835205843 ZDJFNDMHXQXJBK-ZDUSSCGKSA-N 297.358 3.562 30 20 CHED CC[C@H](N[C@@H](COC)c1ccccc1)c1cccc(C#N)c1 902867295 ZHKQPZPWPLBDMO-OALUTQOASA-N 294.398 3.987 30 20 CHED C#CCCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 830977446 URWQLHAUQWSDMN-CQSZACIVSA-N 251.732 3.543 30 20 CHED COc1ccccc1/C(C)=C\C(=O)O[C@@H](C#N)C(C)(C)C 588470707 PEUYJFCSVFONCX-WQTVUKCASA-N 287.359 3.580 30 20 CHED N#Cc1ccccc1-c1ccccc1OC[C@H]1CCOC1 589962572 XNKRHIINCUPRKR-AWEZNQCLSA-N 279.339 3.641 30 20 CHED Fc1ccc(NN=Cc2ccnc3ccccc23)c(F)c1 731312063 JXNFPVRVMFXUGC-UHFFFAOYSA-N 283.281 3.959 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2c(C)noc2C)c1 916155925 OEBNGLCTQDSXGF-BQYQJAHWSA-N 255.317 3.804 30 20 CHED CCOc1ccc(C=NNc2ncnc3sccc23)cc1 916368499 RGZNOWFUGGVNJS-UHFFFAOYSA-N 298.371 3.536 30 20 CHED C[C@@H](CSc1ccccc1)N(C)Cc1ccc(C#N)cn1 594015056 CRKNQDNBPXIATK-AWEZNQCLSA-N 297.427 3.566 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1cc2ccccc2o1 915654028 QGWRJOMKPVSZPG-FPLPWBNLSA-N 266.300 3.669 30 20 CHED C[C@H](C#N)C(=O)Oc1ccc2oc3ccccc3c2c1 746106303 XZVZWVPZOKLNJN-SNVBAGLBSA-N 265.268 3.651 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](CC(C)C)c1ccccc1 844283821 HRVZEWNECQVVGV-ZFWWWQNUSA-N 276.380 3.579 30 20 CHED C[C@H](CSc1ccccc1)N(C)C(=O)C#CC(C)(C)C 846320828 OLUVMFBYEXUEJS-CQSZACIVSA-N 289.444 3.675 30 20 CHED C#C[C@@H](OC(=O)c1ccn(C2CCCC2)n1)c1ccccc1 842389485 HHHOFCYGVPLEFB-QGZVFWFLSA-N 294.354 3.530 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(N2CCCCC2)c1 919909011 QEEQUQRCISOBMQ-UHFFFAOYSA-N 299.418 3.883 30 20 CHED CCC1(CC)CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 593990716 KJXOBPYSRFTGCO-HNNXBMFYSA-N 298.430 3.776 30 20 CHED CC(C)c1ccsc1C(=O)N1CCC[C@@H](CC#N)C1 597911040 GDEOFANYUNJCHF-LBPRGKRZSA-N 276.405 3.637 30 20 CHED CCN(C(=O)c1ccc(-c2ccc(C)o2)s1)[C@@H](C)C#N 598358562 PTBZVNSVLNOVIO-JTQLQIEISA-N 288.372 3.691 30 20 CHED CC#CCOC(=O)C(CC)(CC)c1ccc(Cl)cc1 744934382 LYBGSPRZGBISFU-UHFFFAOYSA-N 278.779 3.964 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H](C)c2cccc(C)c2)c1 741165066 FTZVGRHQEIOXFY-VCRXTVNUSA-N 283.371 3.932 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N(C)[C@@H](C)CC#N 599329149 FUHBNLYZAZIIQJ-LBPRGKRZSA-N 282.343 3.629 30 20 CHED CC[C@H](C#N)C(=O)N1CC[C@H](CC(C)(C)C)C1(C)C 593742266 XLDFZFPAOXKFEO-CHWSQXEVSA-N 264.413 3.599 30 20 CHED N#Cc1ccc(C=NNc2cccc3c2CCCC3)s1 748786510 SURHEGXORHXCFF-UHFFFAOYSA-N 281.384 3.945 30 20 CHED C=CCCC(=O)CSc1nc(C(C)C)cs1 845330740 SBMOYEVWZWZQOE-UHFFFAOYSA-N 255.408 3.894 30 20 CHED COc1ccc(O)c(C=Nc2ccc([C@H]3CCOC3)cc2)c1 840704625 BYYLPUDNJCVJFW-AWEZNQCLSA-N 297.354 3.655 30 20 CHED C=CCN(C(=O)c1cnn(-c2ccc(C)cc2)c1C)C(C)C 915153557 QMIMGQUTXGGGKA-UHFFFAOYSA-N 297.402 3.526 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC(C)(C)c2ccccc21 682383230 PBYXHQCJICQPLV-KRWDZBQOSA-N 257.377 3.913 30 20 CHED CCC[C@@H](CN[C@@H](CC)c1ccc(C#N)cc1)OCC 599062512 XQWFKFAJQXUNQY-IRXDYDNUSA-N 274.408 3.804 30 20 CHED CC[C@@H](C#N)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 593445220 GFHGTTAMIIIGDQ-UWVGGRQHSA-N 299.201 3.763 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1ccc(C#N)cc1 915961572 BEAMOEFAXDETOS-UHFFFAOYSA-N 279.343 3.684 30 20 CHED CC(C)(CC#N)CSc1ccc(-c2ccco2)nn1 594905470 RSDNQSWCWHULET-UHFFFAOYSA-N 273.361 3.769 30 20 CHED CC(C)[C@@H]1N(c2ncc3c(c2C#N)CCC3)CC12CC=CC2 591991719 BZUFFIUPNSXIKG-KRWDZBQOSA-N 293.414 3.623 30 20 CHED Clc1cnc(NN=CC2CCCC2)c(Cl)c1 741838074 QUESXMPROCQFIN-UHFFFAOYSA-N 258.152 3.976 30 20 CHED FC(F)(F)c1ccc(CON=Cc2ccncc2)cc1 746576572 LKKKMRYGCZDDEC-UHFFFAOYSA-N 280.249 3.651 30 20 CHED Oc1c(Cl)cc(Cl)cc1C=NNc1ccccn1 916273540 JGDHSTZQVZGSEG-UHFFFAOYSA-N 282.130 3.540 30 20 CHED COc1ccc(-c2cccc(CC(C)(C)C#N)c2)cn1 592985107 ITOMAIAIWSCKFD-UHFFFAOYSA-N 266.344 3.849 30 20 CHED Cc1cccc(CCSCCc2ccc(C#N)cc2)n1 596386184 YCGWJNNPBRGBMY-UHFFFAOYSA-N 282.412 3.780 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O 845971562 LMUUXSMNKQGFDQ-AVGNSLFASA-N 263.381 3.652 30 20 CHED CCC1(C)CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 594260605 ISAXHDLBLSKUOC-OAHLLOKOSA-N 298.430 3.776 30 20 CHED CC(C)c1cccc(C(=O)N(C)Cc2cccc(C#N)c2)c1 596746023 VWELROQSNZOSHP-UHFFFAOYSA-N 292.382 3.954 30 20 CHED CC#CCOC(=O)c1sc2ccc(F)cc2c1C 744844537 DSSZAIJMGUJQHN-UHFFFAOYSA-N 262.305 3.529 30 20 CHED C=C(C)CONC(=O)Nc1cc(C)c(Cl)c(C)c1 844655334 VWGNAWXKCRDVPW-UHFFFAOYSA-N 268.744 3.586 30 20 CHED C#CC[C@H](OC(=O)Cc1c[nH]c2cccc(C)c12)C(C)C 747192487 HHTDVFRBAUKMOV-INIZCTEOSA-N 283.371 3.610 30 20 CHED C=CCCOCC(=O)Nc1ccc(-c2ccccc2)c(C)n1 685891185 QUZCKPBSUPRRGG-UHFFFAOYSA-N 296.370 3.588 30 20 CHED CC(C)(C(=O)OCC(=O)c1cccc(C#N)c1)C1CCCC1 757838534 ATMWVVLDIFISEA-UHFFFAOYSA-N 299.370 3.501 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C1\CC[C@H](C)C1 753594284 SUWQNAXEQTYTQB-CVCOIXHCSA-N 284.359 3.642 30 20 CHED C#CC[C@H](NC(=O)c1ccccc1OCC)c1ccccc1 758006310 OPJFJZHGDNYRAZ-KRWDZBQOSA-N 293.366 3.580 30 20 CHED C=CC(C)(C)CCOC(=O)c1ccc(C(C)=O)cc1F 851299997 IMIPGDYURLKJFL-UHFFFAOYSA-N 278.323 3.787 30 20 CHED CC(C)(CNC(=O)c1cc(C#N)ccc1F)C1=CCCC1 854900561 ZMARPFMUTRGNPA-UHFFFAOYSA-N 286.350 3.564 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCCc2ccccc21 851213557 RHHQFPJOYWNMPY-CJNGLKHVSA-N 285.387 3.978 30 20 CHED C#CC[C@@H](NC(=O)NCCCCCC)c1ccccc1 757005689 KQTHWLQNFQUQGS-MRXNPFEDSA-N 272.392 3.631 30 20 CHED C=C(Br)COC(=O)C[C@H]1CCC[C@H](C)C1 750241368 NBXJQRIYDJYFKC-ONGXEEELSA-N 275.186 3.655 30 20 CHED Cc1cccc(C)c1C=NNc1ccc([N+](=O)[O-])cc1 755463054 YZVDLHVRINSHFA-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](CCC#N)c1ccccc1 925602243 SNDKTSCQDHLZAT-HOCLYGCPSA-N 269.392 3.949 30 20 CHED C=CCC[C@@H](C)OC(=O)c1ccc(-c2csnn2)cc1 859806957 SYXUMXMHMUMHJM-LLVKDONJSA-N 288.372 3.717 30 20 CHED C#CCC1(OC(=O)c2ccsc2Cl)CCC1 853120224 HMALUDBYCWYUGD-UHFFFAOYSA-N 254.738 3.504 30 20 CHED CC[C@H](C)CON=C(C)c1ccc(C(F)F)nc1 853349861 KEYSROQQPIIMNL-VIFPVBQESA-N 256.296 3.806 30 20 CHED C=C1CCN(C(=O)Nc2ccc(CCSC)cc2)CC1 930158010 KHMCZZLXBWXAJA-UHFFFAOYSA-N 290.432 3.776 30 20 CHED CC(C)(NC(=O)c1ccc(CC#N)cc1)c1ccc(F)cc1 758990678 RLJBYRIFAPDRCG-UHFFFAOYSA-N 296.345 3.557 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@@H]1Cc1ccccc1 851805607 DIMBUTFYTARZHK-MSOLQXFVSA-N 262.356 3.568 30 20 CHED N#Cc1cc(C(=O)Oc2c(F)cccc2F)ccc1Cl 754028851 FESIWXWGQVJCTD-UHFFFAOYSA-N 293.656 3.709 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc3c2OCCCO3)o1 752237930 KMFMUZTWEUUVBB-CLFYSBASSA-N 298.338 3.899 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(CF)cc2)C1 855436757 KEKSKZNRMATEOG-CQSZACIVSA-N 261.340 3.584 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C(F)F)cc1 933102014 WDKLJZVNSRIIOT-UHFFFAOYSA-N 254.280 3.664 30 20 CHED C[C@H](Cc1cccnc1)NCc1ccccc1C(C)(C)C#N 934232728 FYRFPGVOLVLMBN-OAHLLOKOSA-N 293.414 3.604 30 20 CHED COc1cc2c(cc1/C=C/C(=O)c1occc1C)O[C@@H](C)C2 769784511 XUYWTLBMEMUHOR-ITKZLYELSA-N 298.338 3.816 30 20 CHED C#CCOc1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1 761680528 AEBYZDSOIYJLLF-UHFFFAOYSA-N 293.366 3.876 30 20 CHED COc1ccc(/C=C/C(=O)c2sccc2OC)cc1C 769744013 CKYQRYSUWAQWQR-GQCTYLIASA-N 288.368 3.970 30 20 CHED C=CCC[C@H](CCC)NC[C@](C)(O)c1cc(C)oc1C 766153630 XDLVJCCIOJHFLY-RDJZCZTQSA-N 279.424 3.828 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnn(C2CCCC2)c1C 935672582 URYBLWJSZKHDGM-CYBMUJFWSA-N 275.396 3.847 30 20 CHED N#Cc1ccccc1COC(=O)c1c[nH]c2ccc(F)cc12 764172636 KNLHNFVSRXGEBX-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(Cl)nc2)CCCC1(C)C 767217620 AXEVBEUVDQBRFE-ZDUSSCGKSA-N 292.810 3.942 30 20 CHED C#CCCCCCc1nc(COc2ccccc2C)no1 762245605 NJOFWQZHVWCEAO-UHFFFAOYSA-N 284.359 3.693 30 20 CHED Cc1cccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)c1C 769829089 AAXDSFIHRYXYHQ-UHFFFAOYSA-N 287.294 3.797 30 20 CHED N#Cc1ccc(CC(=O)Oc2ccc(C3CCC3)cc2)cc1 767226136 LUGFVEOWQVHIPN-UHFFFAOYSA-N 291.350 3.974 30 20 CHED C#CC[C@@H](NCc1cc(C)oc1C)c1ccccc1 767392679 NXCKSEJCCWPBAE-QGZVFWFLSA-N 253.345 3.751 30 20 CHED C=CCOc1ccc(COC(=O)/C=C/c2ccco2)cc1 763640376 GYCPKPBCKHNSQA-MDZDMXLPSA-N 284.311 3.601 30 20 CHED CC[C@@H](C)[C@@H](NC(=O)c1cc(C#N)ccc1C)C(F)(F)F 935672266 RUXPFZGLNGLISH-NOZJJQNGSA-N 298.308 3.574 30 20 CHED CCN(CC)c1ccc(/C=N/[C@H]2CCC(F)(F)C2)c(O)c1 763096237 IBYUQTQDDHEJJK-MDBUFAAASA-N 296.361 3.845 30 20 CHED C=CCOCc1nc(C2CCCCCCC2)no1 762362813 JODZBURNVGTHOD-UHFFFAOYSA-N 250.342 3.600 30 20 CHED C#C[C@H](OC(=O)C[C@@H](OCC)C(=C)C)c1ccc(C)cc1 860964820 XLLLERNKYHLETE-DLBZAZTESA-N 286.371 3.584 30 20 CHED C#CCN(C(=O)N[C@H]1CCC(C)(C)c2ccccc21)C1CC1 764694756 GESTWCMLWJWGIX-KRWDZBQOSA-N 296.414 3.606 30 20 CHED CCN(CCC1CC1)Cc1ccc(O[C@@H](C)C#N)cc1 761225241 ARYFUKOHJLKAHH-AWEZNQCLSA-N 272.392 3.599 30 20 CHED CCOc1ccc(NC[C@H](C)CCC#N)c(F)c1 877592812 ULSUBWQXLWNIMF-LLVKDONJSA-N 250.317 3.576 30 20 CHED N#C[C@H](OC(=O)c1ccc(Cl)o1)C1CCCCC1 776367978 NGFUYHRRSSVIHY-NSHDSACASA-N 267.712 3.562 30 20 CHED C=CCC1(c2nnc([C@H]3COc4ccccc4O3)o2)CCC1 1118076524 OKCTYEDMDKZIHH-CQSZACIVSA-N 298.342 3.580 30 20 CHED C#CCSCCN[C@@H](CC)c1ccccc1OC(F)F 773010932 PCJIEEUYFBKFMT-ZDUSSCGKSA-N 299.386 3.695 30 20 CHED CCC(CC)CNN=Cc1ccnc2ccccc12 774459157 BQTASXLSIPIXJD-UHFFFAOYSA-N 255.365 3.595 30 20 CHED C=CCN(C(=O)c1ncc(C)cc1C)c1ccccc1 779776896 KSQPTRRWAXUBCT-UHFFFAOYSA-N 266.344 3.531 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNC(=S)NC(C)(C)C 773194158 VUNVJNCCMVUCQD-UHFFFAOYSA-N 297.855 3.521 30 20 CHED C=C[C@H](CC(=O)OCc1ccc(CO)cc1)c1ccccc1 778836803 GNALTZLNSZWPNR-QGZVFWFLSA-N 296.366 3.582 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)OC[C@H](C)C#N)oc12 770935410 DWADFZBEQSCNFQ-SECBINFHSA-N 271.316 3.675 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 888359834 PXIDVTWZHIRSFS-INIZCTEOSA-N 289.354 3.741 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)c1ccc(CC(C)C)cc1 1123336315 GUEAXUVJWKWTKR-INIZCTEOSA-N 295.386 3.592 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(C(C)(C)C)ccc1N 776377673 DNRBSTALSNAVRJ-UHFFFAOYSA-N 288.391 3.663 30 20 CHED C#CCCCN[C@H](C)c1cc(Cl)c(N)c(Cl)c1 774443310 OXXQKODVCKFZRC-SECBINFHSA-N 271.191 3.640 30 20 CHED C#CCCCCCC(=O)Nc1c[nH]c2ccccc12 888114108 YVPBAGMKONCBOR-UHFFFAOYSA-N 254.333 3.690 30 20 CHED Clc1cncnc1NN=C1CCCCCCC1 780274931 GJMOFIIEVCMNRF-UHFFFAOYSA-N 252.749 3.642 30 20 CHED CC(C)(C)CCNN=Cc1ccc(O)c(Br)c1 782903190 QWYBWRYESMHMDI-UHFFFAOYSA-N 299.212 3.514 30 20 CHED C[C@H]1CCc2c(F)cccc2C1=NNc1ccnc(F)c1 781124550 IYDRRXFVFCSGHK-JTQLQIEISA-N 287.313 3.758 30 20 CHED Cc1ccc(C=NNc2ccc3c(=O)[nH]ccc3c2)cc1C 789064460 YYYUHAKOMJZGTL-UHFFFAOYSA-N 291.354 3.591 30 20 CHED CC[C@@H](C#N)OC(=O)c1sccc1-c1ccccc1 781128115 KFMWRVJUYKMBHK-LBPRGKRZSA-N 271.341 3.874 30 20 CHED C[C@H](CC(=O)OCCCC(C)(C)C#N)c1ccc(N)cc1 784675653 JZGMWQFANZYXCX-CYBMUJFWSA-N 288.391 3.636 30 20 CHED C=CC1(OC(=O)Cc2nc(-c3cccs3)oc2C)CC1 893365964 TXZILMBDDAHYDI-UHFFFAOYSA-N 289.356 3.516 30 20 CHED C=CCCN(C)Cc1cc(Cl)cc(Cl)c1O 786578844 NHRZUGOCCWFEMP-UHFFFAOYSA-N 260.164 3.707 30 20 CHED c1ccc([C@H]2CCCCC2=NOC[C@H]2CCOC2)cc1 788036151 FBUKTHDLGYKQKL-GOEBONIOSA-N 273.376 3.753 30 20 CHED C#CCOc1ccc(CNc2ccc(Cl)nc2C)cc1 788404536 VWSASKMGMXIXPT-UHFFFAOYSA-N 286.762 3.668 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1cncc(F)c1 782340350 BBMNWFXPDSCDCN-RQOWECAXSA-N 278.286 3.665 30 20 CHED C=CCCCCCOC(=O)c1cncc(Br)c1 782007179 BUIBXMDRUICJPF-UHFFFAOYSA-N 298.180 3.747 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(C2CC2)nc2ccc(C)cc12 781183715 SHWMGOKWIUGSHR-CYBMUJFWSA-N 294.354 3.880 30 20 CHED CC[C@@H](C#N)Sc1cccc(C(=O)O[C@@H](C#N)CC)c1 781194133 GZAJNLIVSGLGLO-OLZOCXBDSA-N 288.372 3.540 30 20 CHED C=C(C)COC(=O)c1cn(C)nc1-c1ccc(Cl)s1 789294488 PGKCJZMNRWXMCR-UHFFFAOYSA-N 296.779 3.535 30 20 CHED CC(C)(C#N)CC(=O)OCc1ccc(C(F)F)cc1 785108612 TTXVAJKPGBVMRN-UHFFFAOYSA-N 267.275 3.607 30 20 CHED C=CCC1(C(=O)Nc2ccnc(Cl)c2F)CCC1 891509104 IAQSBRWXJLRVOV-UHFFFAOYSA-N 268.719 3.559 30 20 CHED CCC1(C)CCC(=NN[C@H]2CCOC(C)(C)C2)CC1 780248302 ZXFKFTFWYQQKEC-LBAUFKAWSA-N 266.429 3.880 30 20 CHED Cc1cc(C#N)ccc1Oc1ccnc(C(C)(C)C)n1 301497580 BUHYFQPNJRKVPO-UHFFFAOYSA-N 267.332 3.747 30 20 CHED O=C1/C(=C/c2cnn(CC3CCC3)c2)Cc2ccccc21 899336715 YJFJQOYWQSJPSK-LZYBPNLTSA-N 278.355 3.506 30 20 CHED Fc1cccnc1NN=Cc1ccc(-c2ccccc2)o1 794981256 WNHNYPMVJYNPKK-UHFFFAOYSA-N 281.290 3.927 30 20 CHED COCCN(C)N=Cc1cccc(-c2ccccc2C)c1 794963135 LPWGZGHALONMCC-UHFFFAOYSA-N 282.387 3.574 30 20 CHED C=CCC[C@H](NCc1cnc(Cl)cn1)c1ccccc1 799154360 KKIWHLRUCOTHKJ-HNNXBMFYSA-N 287.794 3.927 30 20 CHED CCN(Cc1ccc(C#N)cc1C)c1cccc(O)c1 191555007 XHPAXGJEOHOLND-UHFFFAOYSA-N 266.344 3.599 30 20 CHED C=CCN(C(=O)Nc1cnn([C@H](C)CC)c1C)C(C)C 792482155 OUTKMZZUFMCNBP-GFCCVEGCSA-N 278.400 3.591 30 20 CHED C[C@H](C=NNc1cccc(F)n1)CCc1ccccc1 795007222 VFPKRRZLYYAHDV-ZDUSSCGKSA-N 271.339 3.887 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)OCc1cccc(C#N)c1 796322000 KEMUUFNQBLTTFD-JKSUJKDBSA-N 271.360 3.818 30 20 CHED COCC[C@@H]1CCCC1=NNc1cc(C)cc(C)c1 799870427 KZHLZTTZZVCINP-AWEZNQCLSA-N 260.381 3.908 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccccc1C(C)C 790604672 WTBVBFCALABBDY-ZDUSSCGKSA-N 258.365 3.733 30 20 CHED Fc1ccc(/C=C\C=NNc2cncc(Cl)n2)cc1F 794890401 AZCBDKQFJFIHRH-CWSYNHRASA-N 294.692 3.519 30 20 CHED C#C[C@H](NC(=O)c1c(-c2ccccc2)oc(C)c1C)C(C)C 799044056 LEFGODWGBVFNKC-INIZCTEOSA-N 295.382 3.951 30 20 CHED CCc1cccc2c1OC/C(=C\c1ccc(C#N)cc1)C2=O 794726608 COFAGIOYETVTIT-MHWRWJLKSA-N 289.334 3.779 30 20 CHED CCCCCCCC(=O)N1CCO[C@H](C(C)(C)C)C1 791081463 GYEFOKQJMCKLIL-AWEZNQCLSA-N 269.429 3.620 30 20 CHED C#CCOc1cccc(Cl)c1C=NN[C@@H](C)C(C)(C)C 793117948 YIAFQPSYAHTLSL-LBPRGKRZSA-N 292.810 3.710 30 20 CHED Cc1cc(C=NN2CCC(C(C)(C)C)CC2)c(C)[nH]1 790179295 VMTCBOMABMUJLQ-UHFFFAOYSA-N 261.413 3.724 30 20 CHED Cc1nc2ccccc2c(C)c1C(=O)OCCCCC#N 791507566 HKAZWIJYVVLHRK-UHFFFAOYSA-N 282.343 3.702 30 20 CHED C=CCC1(C(=O)OCc2cccc([N+](=O)[O-])c2C)CCC1 791559842 BIMQZDVZJYBAGM-UHFFFAOYSA-N 289.331 3.693 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2cccc(Cl)n2)cc1 796742303 IKEARQVGKSYFOU-UHFFFAOYSA-N 299.761 3.788 30 20 CHED C[C@H]1CC(Nc2nc3c(cc2C#N)CCC3)C[C@H](C)C1 84438956 NJFAFGDIYDCLLL-VXGBXAGGSA-N 269.392 3.679 30 20 CHED COc1cccc(/C=C2\Cc3c(C)cccc3C2=O)c1F 799893657 UUZJPSZNEIWCPL-UKTHLTGXSA-N 282.314 3.965 30 20 CHED N#Cc1ccccc1NCc1nc2c(s1)CCCC2 591256108 IFOZJKBWSWXUBO-UHFFFAOYSA-N 269.373 3.506 30 20 CHED Cc1ccc(CCN2CCCc3cc(C#N)ccc32)cc1 1307801266 BUWVCEXZLTVNRV-UHFFFAOYSA-N 276.383 3.862 30 20 CHED C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)C[C@H](c2ccccc2)C1 1163494639 QKVMCWPMYMZIRG-NUEKZKHPSA-N 292.386 3.733 30 20 CHED Cc1cc(NCc2csc(-c3ccco3)n2)ncc1C#N 1162755372 IEHQDEZFKZEMBH-UHFFFAOYSA-N 296.355 3.590 30 20 CHED N#CC1(c2ccccc2)CC(Nc2cccc3c2CCO3)C1 1324984797 HSKCHVAJBRZAHW-UHFFFAOYSA-N 290.366 3.657 30 20 CHED CCC1(CC)CN(Cc2ccc(C#N)c(C)c2)CCS1 1658748879 BNYQCECGPVDZHB-UHFFFAOYSA-N 288.460 3.974 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(C2=CCCC2)cc1 1327559492 GVVVJZRITGRWNT-UHFFFAOYSA-N 279.383 3.739 30 20 CHED N#Cc1ccccc1OCc1nnc([C@@H]2CC23CCCC3)o1 1322089134 RYZMNZWTTMRORZ-ZDUSSCGKSA-N 295.342 3.568 30 20 CHED CC#CC(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(F)c1 1327114224 SDQINZLXPZDJLC-IBGZPJMESA-N 295.357 3.617 30 20 CHED C#CCN(Cc1ccc(Cl)c2cccnc12)CC1CC1 1337058329 YTHJJXNCRZGCII-UHFFFAOYSA-N 284.790 3.733 30 20 CHED N#C[C@H](C(=O)C1(C2CCCCC2)CC1)c1ccccn1 1341932358 XHEJORDUIZKATP-AWEZNQCLSA-N 268.360 3.618 30 20 CHED C=C[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H]1C)c1ccccc1 1347018652 NZSWFPQIPFKTPN-XBFCOCLRSA-N 297.320 3.756 30 20 CHED C=C(C)CONC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1261510566 CPFTVRPNQFDJEC-AWEZNQCLSA-N 294.370 3.720 30 20 CHED C[C@H](CC1CCCCC1)C(=O)OCc1ccc(C#N)cn1 1269202730 YPUPUFDCVPJMTI-CYBMUJFWSA-N 286.375 3.603 30 20 CHED N#Cc1cc(C(=O)N2CCCCc3ccccc32)cs1 1347770364 GBPQRSVSWUNBJJ-UHFFFAOYSA-N 282.368 3.603 30 20 CHED CC#CCCN1CCC(Nc2ccccc2Cl)CC1 1342616086 YQAPKSIOHMFBOL-UHFFFAOYSA-N 276.811 3.630 30 20 CHED CCS[C@H](C(=O)O[C@H](CC#N)c1ccco1)C(C)C 1263660256 ANICWBSTWQQAQF-OLZOCXBDSA-N 281.377 3.555 30 20 CHED CCCC[C@@H](CC)CC(=O)NCCc1ccc(C#N)cc1 1528527164 HHZABPAVHQZLGR-OAHLLOKOSA-N 286.419 3.823 30 20 CHED N#Cc1ccccc1N(C(=O)c1ccc(F)cc1)C1CCC1 1528672811 LKFHVQOXNPSJND-UHFFFAOYSA-N 294.329 3.897 30 20 CHED CC[C@](C)(NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1529689746 KQTKVGSGBGLVEY-SFHVURJKSA-N 296.345 3.753 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)c1ccc(F)c(C)c1 1537239237 VMLGFTLAUPXJCT-UHFFFAOYSA-N 296.345 3.981 30 20 CHED C[C@@H]1CN(C(=O)Nc2sccc2C#N)c2ccccc21 1476829110 PSAGILMVORLJIB-SNVBAGLBSA-N 283.356 3.775 30 20 CHED N#Cc1c(F)cccc1CNCc1ccc2ncccc2c1 1474497777 NBBNWRFSJFLXLS-UHFFFAOYSA-N 291.329 3.535 30 20 CHED Cc1cccc(F)c1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 1537172321 VCTMFPBULIXFBG-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED C=CC[C@@H](C)NCc1ccc(OC(F)F)c(OCC)c1 116926954 VHGDBIPMVDVUND-LLVKDONJSA-N 285.334 3.741 30 20 CHED CCOc1cc(C#N)ccc1OCc1cccc(OC)c1C 1613205530 VPPDSFVCLHVBCB-UHFFFAOYSA-N 297.354 3.853 30 20 CHED C[C@H](NCc1cc(C#N)ccn1)c1ccc(Cl)c(F)c1 1559705476 QJMDBFUOPRIIGO-JTQLQIEISA-N 289.741 3.597 30 20 CHED C[C@@H]1CCN(Cc2cc(C#N)ccn2)CC12CCCCC2 1642808903 XLWZCDYZIJWFMF-OAHLLOKOSA-N 283.419 3.746 30 20 CHED C[C@H](CCSc1ccccc1)N1CCC[C@@H](C#N)C1 1644439989 URWUMHDKQRMVKI-CABCVRRESA-N 274.433 3.793 30 20 CHED C[C@H](Sc1ncncc1C#N)c1ccc(Cl)cc1 1655054952 JGCFITZHQVBDMG-VIFPVBQESA-N 275.764 3.855 30 20 CHED C=CCCCCCCN[C@@H]1CC[C@H](CC(=O)O)[C@H]1C 1588798618 LXWPGJIIEBEBOL-RBSFLKMASA-N 267.413 3.602 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1ncc(C#N)cc1Cl 1651969708 KHQOEKKQYOYYJH-LLVKDONJSA-N 296.761 3.676 30 20 CHED CCCCCCCCOc1cccc(F)c1-c1nn[nH]n1 1590592305 MKMQSTRQSKEAMT-UHFFFAOYSA-N 292.358 3.745 30 20 CHED C[C@H](Sc1ncc(C(=O)O)s1)c1ccc(C#N)cc1 1593678268 HYIFJGIFSSHNMW-QMMMGPOBSA-N 290.369 3.566 30 20 CHED CC[C@H]1c2ccccc2CCN1C[C@H](C)CCC#N 1663618483 QSOLJHGHTLKHRQ-PBHICJAKSA-N 256.393 3.936 30 20 CHED CC(C)C1CCC(C=NNc2ccc(C(=O)O)nc2)CC1 1776071032 XYOPZCINLPZAGR-UHFFFAOYSA-N 289.379 3.640 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)c(F)c2)cc1 1776114250 JZAGTULZEAPEPF-WEVVVXLNSA-N 284.286 3.728 30 20 CHED CCCCCC[C@@](C)(NCc1cc(C#N)cs1)C(=O)O 1776780614 UBNSJOLNKXNLNI-OAHLLOKOSA-N 294.420 3.523 30 20 CHED C=C1C[C@@H](C(=O)O)N(Cc2ccc(C3CCCC3)cc2)C1 1776146412 GPONXHYWJQAQKL-KRWDZBQOSA-N 285.387 3.559 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(CC(=O)O)cc2)ccc1F 1777418013 QCIZHWHEHLEKBA-RMKNXTFCSA-N 298.313 3.657 30 20 CHED Cc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1C 12459604 NHHZHXXQTAQUGM-UHFFFAOYSA-N 278.355 3.746 30 20 CHED Cc1cccc(C)c1OC(=O)[C@H](C)Oc1ccc(C#N)cc1 14468371 IFEXGKRNDHXUAO-AWEZNQCLSA-N 295.338 3.548 30 20 CHED N#CCc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 160631619 LGWUSGATTZAPDX-HOCLYGCPSA-N 283.375 3.549 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1ccccc1C#N 163140915 MNESJQIWDGSERQ-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1c(CC)noc1C 163182800 LFOZWDZICCTPHB-UHFFFAOYSA-N 295.386 3.605 30 20 CHED N#CCC[C@H](NC(=O)NC[C@@H]1CC=CCC1)c1ccccc1 151389728 JDJLLEFLGKYYCC-WBVHZDCISA-N 297.402 3.687 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)nc(C)n2C 151044519 KNCOZTLBQUUFQF-UHFFFAOYSA-N 283.375 3.589 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)[C@H](C#N)c1ccccn1 152263572 XBQKNSZYJCURKS-ZIAGYGMSSA-N 270.376 3.864 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@@H](C3CC3)C2)CC1 153022716 QJWQDXGNKGVDDX-SJLPKXTDSA-N 276.468 3.585 30 20 CHED CC(C)(C#N)C(=O)O[C@@H]1CCc2c(OCC3CC3)cccc21 157157546 LNRKLUXOHIFSIQ-MRXNPFEDSA-N 299.370 3.556 30 20 CHED C=CCN(C)C(=O)Nc1ccc(COc2ccccc2)cc1 157726016 HYKYCCWJDWPUIZ-UHFFFAOYSA-N 296.370 3.915 30 20 CHED C=C(C)CNC(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 156357974 CIPJVYYIAMCBRG-INIZCTEOSA-N 274.408 3.534 30 20 CHED C#CCCCCNC(=O)c1cccc(OC2CCCC2)c1 155897167 GOKODUIDPSMLNX-UHFFFAOYSA-N 285.387 3.541 30 20 CHED C=C(C)CNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 157392144 YIUCVEJPSNKMAL-UHFFFAOYSA-N 287.363 3.823 30 20 CHED C=CCN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C 159871134 HBHIQDNHJVHSEG-LLVKDONJSA-N 288.416 3.964 30 20 CHED CCOc1ccc(NCc2cc(C#N)ccc2F)cc1 20040286 PVRPHVOYEKKIJB-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1ccccc1 37748255 AJIJYFOVVCLUKR-KRWDZBQOSA-N 250.345 3.799 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1ccc(C#N)cc1F 42316511 BAWHMWYLHNLWHP-NSHDSACASA-N 274.364 3.952 30 20 CHED C[C@@H](Nc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 36335389 NPVBADTUAVYFJR-CYBMUJFWSA-N 265.360 3.797 30 20 CHED N#Cc1cccc(OCCSCc2ccccc2)c1 37139281 TUPFZHYVMAECLR-UHFFFAOYSA-N 269.369 3.870 30 20 CHED COc1ccc(Cl)cc1CNc1cccc(F)c1C#N 37873975 XDPUHIJUHFBIMB-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCc1ccc(Cl)cc1Cl 264009371 AHIDLWXGEPAWDR-SNVBAGLBSA-N 299.201 3.687 30 20 CHED Cc1nc(Oc2ccccc2C#N)c(Cl)cc1C#N 311668675 GZDNJEZDWDHBEG-UHFFFAOYSA-N 269.691 3.579 30 20 CHED N#Cc1cccc(CCNCC2CCCCCC2)c1 466425871 PZOGDEIAMYPWLA-UHFFFAOYSA-N 256.393 3.661 30 20 CHED CC(C)(C#N)CCNc1ccc(OC(F)(F)F)cc1 87590948 TYJWYBKIPBXPIJ-UHFFFAOYSA-N 272.270 3.937 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C1 361690538 YJUMDCSHYWSRNP-IUODEOHRSA-N 260.356 3.708 30 20 CHED C=C(C)CN1CCC2(CCN(Cc3ccccc3)CC2)C1 485492666 OCJCIXIPNWJAFM-UHFFFAOYSA-N 284.447 3.551 30 20 CHED C=CCN(C(=O)Cc1noc2ccccc12)c1ccccc1 6836165 KYDYAWWAOXWVCJ-UHFFFAOYSA-N 292.338 3.590 30 20 CHED CCC(CC)=NNC(=S)Nc1ccc(C)cc1C 7008103 WIEDKIRSUIEORA-UHFFFAOYSA-N 263.410 3.766 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2ccc(CC#N)cc2)C1 343531898 DNNYFUBYXKHUMD-DLBZAZTESA-N 288.460 3.859 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)Cc2ccccc2)c1 112013433 RVGQXPUGHINYHE-HNNXBMFYSA-N 277.367 3.510 30 20 CHED N#Cc1cc(NCc2cc(-c3ccccc3)no2)ccc1F 114452505 QRCGKPCLMYBSQH-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C#Cc1cccc(N(C)Cc2cc(-c3ccco3)on2)c1 171397980 NLVCYXGOKSOXNP-UHFFFAOYSA-N 278.311 3.552 30 20 CHED C=CCCN[C@@H](CC)c1ccccc1OC(F)F 179716895 MAKFTYAQFDSUFO-LBPRGKRZSA-N 255.308 3.905 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2c(F)cccc2[nH]1 69304275 OFWMVSXZTRTPGI-UHFFFAOYSA-N 293.301 3.739 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N(C)C[C@H](C)C#N)oc12 68081116 MYAILFVMFDBCEF-SNVBAGLBSA-N 284.359 3.590 30 20 CHED CCCCCCN/C(N)=N/CC(C)(C)c1cccs1 304759892 RRKVLFMNVGBXCZ-UHFFFAOYSA-N 281.469 3.510 30 20 CHED CCN(Cc1ccc(F)cc1C#N)Cc1occc1C 412026112 KXYOBGGOZHLGEI-UHFFFAOYSA-N 272.323 3.621 30 20 CHED C=CCCCC(=O)N(CC=C)CCc1ccccc1 175462786 BADGKXDQGSUVHU-UHFFFAOYSA-N 257.377 3.600 30 20 CHED CCCN(CCCCC#N)[C@@H]1CCc2ccccc2C1 60366488 FVTCENQJODILGO-GOSISDBHSA-N 270.420 3.950 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Sc2ccc(F)cc2)c1 302218837 QVMJJHGKYHORFZ-UHFFFAOYSA-N 274.276 3.757 30 20 CHED C#CCCCNC(=O)N(c1ccccc1)c1ccccc1 182078500 MRNDOJMSUXKWIK-UHFFFAOYSA-N 278.355 3.948 30 20 CHED CCOc1cc(Cl)ccc1NC(=O)NCCCCC#N 177654219 BQRYQULAWKINMB-UHFFFAOYSA-N 295.770 3.554 30 20 CHED Cc1ccc(N/C(N)=N/CC(C)(C)Cc2ccccc2)cc1 304745485 FDVJYXKZALVSOW-UHFFFAOYSA-N 295.430 3.991 30 20 CHED CC#CCCCC(=O)NCC(C)(C)c1cccc(Cl)c1 185331872 BECAHZRSZICVMH-UHFFFAOYSA-N 291.822 3.927 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@H](CC)C2)CC1 174363598 UJJHMTZIPAYBFY-RDJZCZTQSA-N 264.457 3.585 30 20 CHED CCC1CCC(C/N=C(/N)Nc2ccc(OC)cc2)CC1 303901297 XHSJQDREPMFVJX-UHFFFAOYSA-N 289.423 3.638 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1cnccc1C(C)(C)C 413513728 KXXYHIAEEPJOAT-CQSZACIVSA-N 289.423 3.533 30 20 CHED N#CCCN(Cc1cc(Cl)cc(Cl)c1N)CC1CC1 602465985 SDGHRRPAXPBMNO-UHFFFAOYSA-N 298.217 3.701 30 20 CHED C=CCCCC(=O)N[C@H]1CCC[C@@H](SCC)C1 176758678 IBLRXBLRAAERFW-QWHCGFSZSA-N 255.427 3.523 30 20 CHED C=CCC[C@H](C(=O)N(C)CC1CCC1)c1ccccc1 187879149 UDXQHEMMNDEZGN-KRWDZBQOSA-N 271.404 3.995 30 20 CHED C=C[C@@H](CC(=O)NCc1ccc(OC)cc1)c1ccccc1 121978205 JFHHPDASWDSPHF-INIZCTEOSA-N 295.382 3.671 30 20 CHED C=CCC[C@H](NCc1ccnc(N2CCCCC2)c1)C1CC1 120271102 RXIGDCBRHAQPGU-SFHVURJKSA-N 299.462 3.906 30 20 CHED CC[C@H](CC#N)OC(=O)CCc1c[nH]c2c(C)cccc12 187952282 MDEVOIDAVQJUNC-CQSZACIVSA-N 284.359 3.644 30 20 CHED C=CCCSc1nccn1-c1ccc(OC)cc1 303747542 AWNKYMNQJQHBQT-UHFFFAOYSA-N 260.362 3.549 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1CC12CCNCC2 129305776 GLIORDWEOUKWRG-INIZCTEOSA-N 294.483 3.633 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(Cl)ncc1Cl 121695718 PZGXFVCKYWCZHB-UHFFFAOYSA-N 298.154 3.574 30 20 CHED N#CCOc1cc(F)ccc1NC(=O)C1CCCCCC1 120005660 QETRBIAFWPFNNK-UHFFFAOYSA-N 290.338 3.637 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCCC[C@H]2C1 78531609 SEIUIKZFLWYZRF-GASCZTMLSA-N 283.375 3.521 30 20 CHED Cc1cccc(OCCN(C)c2ccc(C#N)cc2F)c1 506836358 GQVCYJPYGJAOMA-UHFFFAOYSA-N 284.334 3.521 30 20 CHED CCCCN(C)Cc1ccc(C#N)cc1Br 180896399 MMJARSZZLGOBQN-UHFFFAOYSA-N 281.197 3.553 30 20 CHED N#CCCCCNC(=O)CCCCCc1ccc(F)cc1 187598568 DDCFWHJMNBNFAL-UHFFFAOYSA-N 290.382 3.739 30 20 CHED C=CCCN[C@@H](C)c1ccc(-c2ccncc2)cc1 180896905 CGYWREDGUUYXMS-AWEZNQCLSA-N 252.361 3.975 30 20 CHED N#Cc1cccc(NCc2ccc(N3CCCC3)cc2)c1 37203171 LKTNHJZNEMQQEU-UHFFFAOYSA-N 277.371 3.771 30 20 CHED C=CCCC1(C(=O)Nc2cc(C(=O)OC)sc2C)CC1 411106867 HJAJHVASUTUDRO-UHFFFAOYSA-N 293.388 3.528 30 20 CHED CCC(C)(C)C(=O)CSc1nc(C)cc(C)c1C#N 412977761 LWJSDMMTHOSIKB-UHFFFAOYSA-N 276.405 3.668 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)N1CCCc2cc(C#N)ccc21 411004338 WIXUXWACPOANGD-GOEBONIOSA-N 282.387 3.664 30 20 CHED CC(C)(CCC#N)CN1CCc2c(F)cc(F)cc21 187369674 IKNRPJNJLPBLQX-UHFFFAOYSA-N 264.319 3.657 30 20 CHED C[C@@H]1CCCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 185703166 SNMDZYQAHCEOAQ-NVXWUHKLSA-N 299.418 3.863 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 180423884 XCCPWBJKXONQDS-NWDGAFQWSA-N 293.794 3.630 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1nc2cc(C)ccc2n1C 187575421 HSSXILRHOYXXLL-KBPBESRZSA-N 271.408 3.572 30 20 CHED COc1ccc2c(c1)[C@H](Nc1cccc(F)c1C#N)CCO2 315742609 OEMHHGWHBFVAJE-MRXNPFEDSA-N 298.317 3.642 30 20 CHED C=CCCN(C)C(=O)c1[nH]c2c(Cl)cccc2c1C 412282236 VRGOMMNUXIBNAD-UHFFFAOYSA-N 276.767 3.778 30 20 CHED C=CC[C@@H](CC)NC(=O)c1csc(-c2ccccc2)n1 410143437 QGXUZURHHGFCSI-CYBMUJFWSA-N 286.400 3.895 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cnc(C)nc1C 414299043 JEZYIWWBLCWZTG-QAPCUYQASA-N 295.430 3.931 30 20 CHED CC(C)[C@H]1N(c2ccc(C#N)cn2)CC12CCCCC2 413442345 QQZLRUPSCDIMAI-MRXNPFEDSA-N 269.392 3.748 30 20 CHED COCc1ccc([C@H]2CCCN2CCCC(C)(C)C#N)o1 130796199 VFWPMPFNIJUHRX-OAHLLOKOSA-N 290.407 3.893 30 20 CHED Cc1csc(C2(/N=C(/O)C3CCC(=O)CC3)CCC2)n1 329966300 UXQXQKTZXQGSDW-UHFFFAOYSA-N 292.404 3.547 30 20 CHED CC(C)(C)c1ccc(N=C(O)[C@H]2C[C@@]23CCOC3)c(O)c1 328641771 DKJHZUSNKJKSMV-SJKOYZFVSA-N 289.375 3.704 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCO[C@H](C)CC(C)C 87209619 OGNOSBMZVAWPME-CQSZACIVSA-N 288.391 3.647 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1C 193121575 NOYVEWGKNUFJLA-JXMROGBWSA-N 277.323 3.771 30 20 CHED CCCCC[C@@H](C)C/C(O)=N/S(=O)(=O)C1CCCC1 86055468 GKDGQQSNVVUTOI-GFCCVEGCSA-N 289.441 3.822 30 20 CHED CC1(C)CC[C@H](C(O)=Nc2cccc3c2C(O)=NC3)C1 329309197 AHIMZLJDVOKTEU-JTQLQIEISA-N 272.348 3.919 30 20 CHED CCCOc1cccc(NC(=O)Cc2ccc(C#N)cc2)c1 194736193 LVORYZAZPZZKTE-UHFFFAOYSA-N 294.354 3.528 30 20 CHED N#Cc1cccnc1N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 89268698 KEUDVSPDTHJRCA-HUUCEWRRSA-N 299.761 3.549 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NCCCSCC#N 191353531 RYOJJYHGWUEUTP-HUUCEWRRSA-N 268.470 3.828 30 20 CHED Cc1ccc2cccc(N[C@@H]3CC[C@H](C#N)C3)c2n1 334608737 YOYPITMCOMBVRI-GXTWGEPZSA-N 251.333 3.647 30 20 CHED CCc1ccccc1CC(=O)Nc1cc(C#N)ccc1C 191206541 LQMWIGVIUYGXMY-UHFFFAOYSA-N 278.355 3.610 30 20 CHED C=CCN(CC=C)C(=O)[C@H](c1ccccc1)C(C)C 193125496 LZMIGLAQTLAEKB-INIZCTEOSA-N 257.377 3.627 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCCC1(C)C 428346735 IAFQMADBNPUBAL-CQSZACIVSA-N 266.429 3.953 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1c(C)coc1C 339814820 PXUYNKNNJVPXOY-UHFFFAOYSA-N 287.334 3.864 30 20 CHED CC(C)C1(C)CCN(C(=O)NCC(C)(C)CCC#N)CC1 513127638 AKXKGKLFRDYZTG-UHFFFAOYSA-N 293.455 3.784 30 20 CHED CC[C@@H]1CCCC[C@H]1N/C(O)=N/Cc1sc(C)nc1C 330934250 HTYHINWXFOYODE-CHWSQXEVSA-N 295.452 3.732 30 20 CHED C=CCOc1ccc(CNCC2(C)CCCC2)cc1OC 518284626 VHFQPSGQOSIGLD-UHFFFAOYSA-N 289.419 3.930 30 20 CHED C=C(C)CN(CC)Cc1cc(C(=O)OC)ccc1Cl 511132325 VPHXTFZRJYNWEG-UHFFFAOYSA-N 281.783 3.525 30 20 CHED Cc1cc(C(=O)Nc2cc(CC#N)ccn2)c(C)cc1Cl 336072045 TXPLHSFPMADBLZ-UHFFFAOYSA-N 299.761 3.670 30 20 CHED Cc1ccc(C(C)(C)CNCc2cccc(C#N)c2)cc1 237638547 XGZIHCJQUWKBSY-UHFFFAOYSA-N 278.399 3.934 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2ccsc2Cl)no1 335186634 OHFACUNJKVDPSV-APPZFPTMSA-N 282.752 3.510 30 20 CHED Cc1cc(CSc2nnc(C(C)(C)C)o2)ccc1C#N 331330648 HJBAYWYDHLOOME-UHFFFAOYSA-N 287.388 3.840 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1ccccc1 512171396 XKJQJXYQNOKYFK-HNNXBMFYSA-N 285.387 3.911 30 20 CHED CSc1ccccc1NC(=O)N1CCC(CC#N)CC1 334459877 MMLINRAGDRJKJS-UHFFFAOYSA-N 289.404 3.566 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)C(C)(C)c1ccccc1 522664196 LURFUZZTGGAKDO-ZIAGYGMSSA-N 274.408 3.617 30 20 CHED Cc1ccc(C(=O)N2CCC(C#N)CC2)c2ccccc12 334826533 GHDCXBGPMXPAFL-UHFFFAOYSA-N 278.355 3.524 30 20 CHED CC1(C)CCC[C@@H](C(=O)N[C@H](C#N)C2CCCCC2)C1 535782764 WQLKBXZTZXFIPH-HUUCEWRRSA-N 276.424 3.791 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(F)c(C2CC2)c1 439797961 CDLRHPFNXKUAFG-UHFFFAOYSA-N 274.339 3.909 30 20 CHED CCCO[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 246319512 HBOZKAYRFZJDBY-QAPCUYQASA-N 286.419 3.900 30 20 CHED C=CCC[C@@H](NC(=O)NC1CCCC1)c1ccccc1 434982961 SJHRUZKJWRYAQV-MRXNPFEDSA-N 272.392 3.936 30 20 CHED Cc1cocc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 528710164 YNKWCYWHGRVPMV-RDJZCZTQSA-N 294.354 3.500 30 20 CHED C=CCOc1ccc(-c2nnc(SC3CCC3)o2)cc1 430990158 QQGHTFKQYVZBDI-UHFFFAOYSA-N 288.372 3.946 30 20 CHED COc1ccc(OCc2ccc(C#N)cc2Cl)cc1F 438907453 OGKNRSWQLQRTBS-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC[C@@H](NC[C@H]1CCCSC1)c1ccc(C#N)cc1 348214133 KSOSILSYHAPBBA-GDBMZVCRSA-N 274.433 3.742 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(NC(C)=O)cc1OC 343503878 MAYSSFZRDRRTRS-JSGCOSHPSA-N 290.407 3.659 30 20 CHED C[C@@H](CCC#N)CNCC1(c2c(F)cccc2F)CCC1 602690805 PEFONSALWOFDAI-ZDUSSCGKSA-N 292.373 3.916 30 20 CHED N#Cc1ccccc1/C=C/c1nc(-c2cccc(F)c2)no1 609476207 NNIUVLYFSSGBKY-CMDGGOBGSA-N 291.285 3.918 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@@H](O)c2ccc3ccccc3c2)C1 248757419 CWDFJMBUSKUYLE-NIKGAXFTSA-N 294.398 3.545 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)C(C#N)(CC)CC 529442164 KNOBOGPIPZGMCJ-KBPBESRZSA-N 264.413 3.649 30 20 CHED CC(C)(C)c1ccccc1C(=O)NCC#Cc1ccccc1 433847272 DHZFKAVIMYCQDR-UHFFFAOYSA-N 291.394 3.766 30 20 CHED CC[C@@H]1CCCN(C(C)(C)CN[C@H]2CCC[C@H](C#N)C2)C1 248782292 IAWMDQLNEDZWFG-IKGGRYGDSA-N 291.483 3.559 30 20 CHED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2ccccc2n1CC#N 609215849 PNVTUKRTXYLILN-ZIAGYGMSSA-N 295.386 3.568 30 20 CHED CN(CC1CCCCC1)c1c(C#N)nnc2ccccc12 524849684 QUOPSBAPQKLPCC-UHFFFAOYSA-N 280.375 3.518 30 20 CHED CC(C)(C#N)NC(=O)c1cc2c(Cl)cccc2s1 603882738 HOGHYXGQIPMMQK-UHFFFAOYSA-N 278.764 3.587 30 20 CHED C=CCCCSCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 522757216 UNGFZRAKQZFOOI-ZQDZILKHSA-N 281.465 3.627 30 20 CHED C/C=C\c1ccc(NC(=O)c2cc(C#N)oc2C)cc1 345672339 FGMNKCOASKAFOF-ARJAWSKDSA-N 266.300 3.745 30 20 CHED CCCCCCCCCN1CC[C@@H](C)C[C@H]1C(=O)O 253150863 GHEGFVHVKNUKOY-CABCVRRESA-N 269.429 3.922 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 347463840 RYJMZAHVPQOKGY-UHFFFAOYSA-N 298.390 3.538 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)c1sccc1C#N 523307192 XSTMYGOHIUKZKX-UHFFFAOYSA-N 298.411 3.981 30 20 CHED Cc1ccc(C[C@@H](C)NC[C@H](C)CCC#N)c(C)c1 602545693 NYUMBAWOZNEKJH-GDBMZVCRSA-N 258.409 3.764 30 20 CHED C=CCCC1(C(=O)Nc2ccc(-n3cccn3)cc2)CC1 354405677 QRTPDMUPIPYNDJ-UHFFFAOYSA-N 281.359 3.557 30 20 CHED COCCC1(CNC[C@@H](C)CCC#N)CCCCC1 602620568 MGUINBMZCFGNRW-HNNXBMFYSA-N 266.429 3.503 30 20 CHED C=CCOc1cccc(N=Cc2cccc(OC)c2O)c1 255908770 HTSKRMIELVCIEJ-UHFFFAOYSA-N 283.327 3.716 30 20 CHED C[C@@H]1CC(C(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1 355296214 FBNBVYXUSULNTC-RYUDHWBXSA-N 256.349 3.569 30 20 CHED CCCn1nc(C)c(-c2cc(C#N)ccc2F)c1C 602420226 BEPNMMDDBUWQRC-UHFFFAOYSA-N 257.312 3.588 30 20 CHED C=CCCc1nc(-c2ccc(Br)cc2F)no1 445452187 AKPFUGXVXLQGBU-UHFFFAOYSA-N 297.127 3.757 30 20 CHED C=CCC1(C(=O)NC[C@@H](OC)c2ccccc2)CCCC1 449255281 CEDWLYHMGNGSON-MRXNPFEDSA-N 287.403 3.627 30 20 CHED C=CCCC1(C(=O)NCc2ccc(OC(F)F)cc2)CC1 353687464 SKUZDEAXMGVIPC-UHFFFAOYSA-N 295.329 3.651 30 20 CHED Cc1cccc2c1CCN2[C@H](C)c1ccc(C#N)cc1 600850556 ZYLXFTLSSNNANT-CQSZACIVSA-N 262.356 3.990 30 20 CHED N#Cc1cc(F)ccc1-c1ccc(C[C@H]2CCNC2)cc1 600788371 JZUZXZQILWFLCU-CQSZACIVSA-N 280.346 3.516 30 20 CHED C=CCN(CC=C)[C@@H](CN[C@H](C)c1ccoc1)C(C)C 531940645 CRKUIZHHKNYMDR-WBVHZDCISA-N 276.424 3.629 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 266898189 CQWNESFYHPWVAY-NXEZZACHSA-N 299.201 3.715 30 20 CHED Cc1cc(C#N)cc(NCc2cnc([C@@H]3CCCO3)s2)c1 449760429 OOPNYVJWHKBDSF-HNNXBMFYSA-N 299.399 3.787 30 20 CHED C=CCCC1(C(=O)Nc2ccc(F)c(OC)c2)CC1 356938671 KFNXMBOQONMICU-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C=CCC[C@@H](CC)NCc1csc([C@H](C)OC)n1 268894739 AMPHMGFLMLDLEE-NWDGAFQWSA-N 268.426 3.685 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(C#N)cc1F 611541223 HZNXMNUSBDBRFZ-MWLCHTKSSA-N 286.272 3.865 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)CCC#N 351066205 SFHGACABAQKYQE-KGLIPLIRSA-N 279.428 3.584 30 20 CHED Cc1ccnc(NCc2ccccc2OCC(C)C)c1C#N 612072449 XQJZRWSOKYMSFI-UHFFFAOYSA-N 295.386 3.909 30 20 CHED Cc1cccc2ncnc(N(CCC#N)CC(C)(C)C)c12 536171818 UHRJNIJAGHMKJX-UHFFFAOYSA-N 282.391 3.704 30 20 CHED CN(Cc1cccc(Cl)c1Cl)c1cccc(C#N)n1 533203650 NWSWKTDHQSMEES-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C[C@@H]1CCC[C@@](CNC2CCC(C)(C#N)CC2)(N(C)C)C1 449086693 SIGKKDUGEORHHS-AQEOSJORSA-N 291.483 3.559 30 20 CHED CCC[C@]1(C(F)(F)F)CCCN1CCCCC#N 441312701 WWHNHZANWHQMBJ-GFCCVEGCSA-N 262.319 3.877 30 20 CHED CCCc1sc(C(=O)[C@@H](C#N)c2ccncn2)cc1CC 354461827 GORBPXKGFGBVLS-LBPRGKRZSA-N 299.399 3.543 30 20 CHED Cc1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)c(C)c1 269605643 JNTCTNGIJAGVHV-UHFFFAOYSA-N 290.366 3.594 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CCc1cccc(Cl)c1 535325668 LDFRLVHFHAFORM-MRXNPFEDSA-N 292.810 3.717 30 20 CHED CN(C(=O)Nc1ccc(C#N)cc1)C1CCC(C)(C)CC1 531277621 LACQPNFFFSNIFB-UHFFFAOYSA-N 285.391 3.991 30 20 CHED Cc1c([C@@H](C)NC(=O)CCCC#N)oc2ccccc12 360036616 KOUXSOJEARPECH-GFCCVEGCSA-N 270.332 3.612 30 20 CHED C=CCN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 366958516 BMNZMEJCBHPMQM-HNNXBMFYSA-N 299.336 3.949 30 20 CHED CCN(C(=O)c1c[nH]c(C#N)c1)c1cccc2ccccc12 537608105 WTKBTJNYKHOLOQ-UHFFFAOYSA-N 289.338 3.706 30 20 CHED N#CCc1ccnc(NC(=O)c2csc3ccccc23)c1 531926023 HJJGITSCWRWROZ-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C=C(C)CN(CC)c1cncc(-c2ccccc2)n1 538508446 MCYKBPLFZYHATA-UHFFFAOYSA-N 253.349 3.546 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(F)c(F)cc1Cl 452773202 ABEIVLDNQCNLQM-UHFFFAOYSA-N 273.710 3.560 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(CSC)c1 611503585 VQPMPXPEOJLEBO-UHFFFAOYSA-N 264.394 3.589 30 20 CHED C=CCCO[C@H](C)c1nc([C@H](C)c2cccs2)no1 273796781 GCOLLBUMVPECJC-GHMZBOCLSA-N 278.377 3.937 30 20 CHED CC1(C)CC[C@H](N[C@H]2CCc3cc(C#N)ccc32)C1 618806740 RPKZDYHVIGXXIX-HOCLYGCPSA-N 254.377 3.714 30 20 CHED CCC1(NC(=O)c2ccc(CC#N)cc2)CCCCC1 456227885 IPMRRZOFVYJMAH-UHFFFAOYSA-N 270.376 3.595 30 20 CHED Cc1ccnc(Cl)c1OCCCC(C)(C)C#N 272334774 GCETXCRKWJIRAN-UHFFFAOYSA-N 252.745 3.752 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(C#N)c(F)c1)C2 361602013 LNPUIRPSFGPHCP-UHFFFAOYSA-N 266.319 3.522 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(-c2nc(C)co2)c1 454941573 FVYMZXJMOWPGEZ-UHFFFAOYSA-N 285.347 3.738 30 20 CHED C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C1CCOCC1 360648741 RXPCMTXUIBPBER-LIRRHRJNSA-N 298.430 3.730 30 20 CHED C=CCC[C@@H](Nc1cc(OC)cc(OC)c1)C1CC1 540822773 NIDSTHSSSPYJGX-MRXNPFEDSA-N 261.365 3.861 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cc(F)c(C)cc1F 452138419 IGBUZQVVQIPEJB-UHFFFAOYSA-N 281.346 3.534 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)nc1C 279524269 PRQZFQHMYGNOGV-ZDUSSCGKSA-N 252.745 3.584 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1C(C)(F)F 455800546 FXDAKNZOMNMCLY-SNVBAGLBSA-N 268.307 3.884 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cn(C)c2ccccc12 620861265 JKYSODRHHZMWCJ-UHFFFAOYSA-N 284.403 3.582 30 20 CHED C=CC[C@H]1N(C(=O)Nc2nc(C)c(C)o2)CCCC1(C)C 277863509 LYPQDBIZUBHRJL-CYBMUJFWSA-N 291.395 3.890 30 20 CHED C=CCCO[C@@H](C)c1nc(C2Cc3ccccc3C2)no1 546380306 MXIHHAIPYBVOAM-LBPRGKRZSA-N 284.359 3.606 30 20 CHED C=C(C)CCNC(=O)N(C)Cc1ccc(C(C)C)cc1 455314465 SCTKZCLREHSPSZ-UHFFFAOYSA-N 274.408 3.918 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2ccccc2s1 453379977 ZSXSFDKAMYLOIZ-YUTCNCBUSA-N 273.401 3.895 30 20 CHED Cc1cc(F)ccc1CSc1ccc(C#N)cn1 548149323 MUJYXYGXOJZXIN-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(F)c1 464653492 RXZNXSMEHGPWQG-SNVBAGLBSA-N 262.328 3.708 30 20 CHED C=CC[C@@H](C)[C@H](C)NCC1(c2ccccn2)CCC1 376125230 BLXHIUHZKBZVSJ-CABCVRRESA-N 258.409 3.694 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1cccnc1C 286166733 WPVBTVNWIRWIAK-UHFFFAOYSA-N 286.419 3.527 30 20 CHED C=C(C)CN(CC)C(=O)NCC1(CC(C)C)CCC1 465371512 NDZRSNSQNLBPQB-UHFFFAOYSA-N 266.429 3.810 30 20 CHED N#CCC[C@H](C#N)CNCC1(c2ccccc2)CCCC1 557576671 MYPPZSKKUNQNKO-MRXNPFEDSA-N 281.403 3.532 30 20 CHED CCc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1 469103626 XODVPQMAQXEOCS-UHFFFAOYSA-N 268.291 3.512 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3ccccc3)C2)C1 559254740 QJRWTTKIYCKADS-DJIMGWMZSA-N 254.377 3.558 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H]1C 556821402 TUYUQUAETXZXJN-SASKPELWSA-N 296.414 3.603 30 20 CHED C=CCC(C)(C)CN[C@H](C)CC(=O)Nc1ccccc1C 559878094 PLFLGCPMFBTYBG-OAHLLOKOSA-N 288.435 3.904 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H]1CCO[C@@H]1c1ccccc1 477932960 QQVKOIPDNQSVIE-CWLKWCNXSA-N 273.420 3.955 30 20 CHED C[C@H](NCc1nc(C#N)cs1)[C@@H](C)C1CCCCC1 558486135 RRHIJZIDBHANCQ-NEPJUHHUSA-N 277.437 3.709 30 20 CHED C#Cc1ccc(CN[C@@H](CC(F)(F)F)C(C)C)cc1 809650247 RUGRZTVPZQUIIK-AWEZNQCLSA-N 269.310 3.735 30 20 CHED Cc1ccccc1C1(C(=O)N(C)CCC#N)CCCCC1 299655177 KGDOOFNNVHQFPT-UHFFFAOYSA-N 284.403 3.569 30 20 CHED C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)C(C)(F)F 294158749 RIZHUTICUKKKBI-JTQLQIEISA-N 280.318 3.718 30 20 CHED C#CCN(CC)C(=O)Nc1cccc(-c2ccccc2)c1 806758266 JARYCYGWRZBJNF-UHFFFAOYSA-N 278.355 3.841 30 20 CHED CC(C)(C#N)CCCNc1ccc2cnccc2c1 296967197 RKUKJYKFTOMCSQ-UHFFFAOYSA-N 253.349 3.977 30 20 CHED C=C(Cl)COC(=O)c1csc(-c2ccc(F)cc2)n1 804985126 VGVFBHJFZLZCFG-UHFFFAOYSA-N 297.738 3.859 30 20 CHED CC[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1 291696455 KDDMSVYRWHVWEL-PBHICJAKSA-N 272.392 3.625 30 20 CHED C=CCC(C)(C)CNCc1ccc(COCCOC)cc1 293056607 ULSDVCDLHCMURU-UHFFFAOYSA-N 291.435 3.542 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCCc3ccccc32)CC1 474708410 WBDBFHOWLVSMMZ-MRXNPFEDSA-N 283.415 3.969 30 20 CHED C=CCC(C)(C)c1nc(-c2ccccc2COC)no1 644562627 VWCCLEWBOOXGAP-UHFFFAOYSA-N 272.348 3.737 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)Cc2nc(Cl)ccc21 806577875 HRPLRXXCJQILLS-XQRVVYSFSA-N 297.166 3.667 30 20 CHED C=CCOCCCN[C@@H](C)c1cc2cccc(F)c2o1 470875203 ZYDZBCQZTMZDGV-LBPRGKRZSA-N 277.339 3.815 30 20 CHED C=C(C)[C@@H](NC(=O)Cc1ccco1)c1ccc(F)c(F)c1 475667648 BVMHZQMOFZJHHE-MRXNPFEDSA-N 291.297 3.534 30 20 CHED C[C@H](C#N)OCCN[C@@H]1CC(C)(C)CCc2ccccc21 801953688 UMZBMHYXGBZSEL-RHSMWYFYSA-N 286.419 3.608 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 476427896 BKOUJQQBKKEWRO-GVDBMIGSSA-N 290.451 3.953 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@H]1OCCc2sccc21 292017919 ZJCCEDQQKPCLDX-SLEUVZQESA-N 265.422 3.695 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1nnc(C)c(C)c1C#N)CCC2 565324154 CSUTYBGABQVXMY-KRWDZBQOSA-N 292.386 3.763 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2c(F)cccc2F)CCC1 478096654 NOXGYULIRPJGKH-LLVKDONJSA-N 279.330 3.888 30 20 CHED Cc1cc(C=NNc2nccnc2C2CCC2)ccc1F 807993568 GXWOZKSFEHGSMA-UHFFFAOYSA-N 284.338 3.638 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C2CC2)[nH]n1 810766686 KDCSFJPQODQOAA-UHFFFAOYSA-N 275.396 3.544 30 20 CHED CCN(CC)C[C@H]1CCCC[C@H]1NCCCC(C)(C)C#N 482152470 RCGNWRCMWLJNND-IAGOWNOFSA-N 293.499 3.807 30 20 CHED C[C@@H](OC(=O)CCCC#N)c1cccc(Cl)c1 812614523 NEBYXLCSYTULTK-SNVBAGLBSA-N 251.713 3.638 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](C#N)C2CCCCC2)nc1 810711756 ORLZRRQCMBMNEI-MRXNPFEDSA-N 286.375 3.834 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CCC)CCCC 483986918 NTPHZMWBBWJEEW-AWEZNQCLSA-N 254.418 3.953 30 20 CHED Cc1cc(C)cc(NN=Cc2c(Cl)nc(Cl)n2C)c1 814753648 TVDFIGULHDGEDO-UHFFFAOYSA-N 297.189 3.790 30 20 CHED C=CCC(F)(F)C(=O)N1CCS[C@H](c2ccccc2)C1 815648711 UNQXPNKNHHLWJC-ZDUSSCGKSA-N 297.370 3.515 30 20 CHED Cc1ccc(-c2ccsc2C(=O)N2CC(C)(C#N)C2)cc1 482643858 RAQBPYXYVOBOOL-UHFFFAOYSA-N 296.395 3.709 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2(F)CCCCC2)cc1 813248686 QKVSHCZPOMUBFW-HNNXBMFYSA-N 288.366 3.602 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2c[nH]c(C(=O)O)c2)cc1 814811359 BIQSPERGGVNNHP-GFCCVEGCSA-N 299.374 3.521 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](F)C1)c1ccc(C#N)c(F)c1 577750638 OWSTZKBLHPRLCE-GDLCADMTSA-N 264.319 3.629 30 20 CHED COc1ccc(NN=C(C)Cc2ccc(F)cc2)cc1 814885029 JORRODXQHRPQDB-UHFFFAOYSA-N 272.323 3.865 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)Oc1cccc(C)c1 488879108 JKSANNZRJJFYJR-RDJZCZTQSA-N 287.403 3.720 30 20 CHED CCOc1ccc(NN=Cc2cnc(C(C)(C)C)nc2)cc1 814985136 UBSLTKFNNCGLFI-UHFFFAOYSA-N 298.390 3.619 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1 573812687 BFUVBWBBXSPMIJ-XDNAFOTISA-N 296.414 3.708 30 20 CHED CC#CCN(C)C(=O)Nc1ccccc1OCCC(C)C 654180097 QNMNWZXEPOEXPB-UHFFFAOYSA-N 288.391 3.599 30 20 CHED C#C[C@H](NC(=O)CCCC1CC1)c1ccc(Cl)cc1F 812573974 ZILPYNMPVCGTSI-HNNXBMFYSA-N 293.769 3.850 30 20 CHED CC(C)(C=NOC1CCC1)[C@@H](C[N+](=O)[O-])c1ccccc1 812237315 UJJVBKGVEFGGKE-HNNXBMFYSA-N 290.363 3.628 30 20 CHED COCC(Cc1ccccc1)=NNc1c(C)cccc1F 814905396 WMMQNXHEYSJQDL-UHFFFAOYSA-N 286.350 3.791 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#N)s1 487560023 MMQCXDIYKAWWHM-WCQYABFASA-N 276.405 3.661 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H](C)C[C@H](C)C1 570027037 MPDVNSIUXLIWFL-GJZGRUSLSA-N 290.455 3.535 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCCC23CCCC3)c1 815594989 FALHFRSOGLCOBO-INIZCTEOSA-N 272.367 3.900 30 20 CHED Cc1ccccc1C(C)(C)CNC(=O)c1ccc(C#N)s1 487708450 MKLMGPIOXFTFAM-UHFFFAOYSA-N 298.411 3.636 30 20 CHED C=C(C)CNC(=O)N[C@H](CC(C)C)c1ccccc1 488569959 CWABRNSGZNCDQB-OAHLLOKOSA-N 260.381 3.649 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NC1CC2(CCC2)C1 651453711 DXFLXCWNDFGQRC-UHFFFAOYSA-N 298.430 3.759 30 20 CHED CC(C)(NC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 578913866 BUTXZEJJSWEKHL-UHFFFAOYSA-N 298.773 3.877 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2cc(C)ccc2n1CC 497892129 GMQVMXYRASYKCO-UHFFFAOYSA-N 285.391 3.905 30 20 CHED CCN(Cc1c(C)cc(C)c(C(C)=O)c1C)[C@@H](C)C#N 661984842 YNXZAPMDDKCVKK-ZDUSSCGKSA-N 272.392 3.548 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCc3c(C)cccc32)c1 729552507 GGEZZDSBJSNJJC-SFHVURJKSA-N 290.366 3.785 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](CC)c2ccncc2)C1 664208706 NRIYFAWUSSUXMJ-HOCLYGCPSA-N 287.407 3.530 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1ccccc1C(F)(F)F 823370640 KZNWYDXPJPHSKI-NSHDSACASA-N 283.293 3.542 30 20 CHED C#C[C@@H](CCC)NC(=O)N(Cc1cccc(F)c1)C(C)C 820639651 FSRGCQCFKFPZFJ-INIZCTEOSA-N 290.382 3.548 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1scnc1C 734302887 UBGIACITDJDWKY-UHFFFAOYSA-N 285.294 3.705 30 20 CHED C=CC[C@H]1CCCN(C(=O)NC[C@H](C)CC(F)(F)F)C1 661322063 OXBKBARUYSPRRZ-NEPJUHHUSA-N 292.345 3.573 30 20 CHED CCc1oc2ccccc2c1C=NNc1ccc(F)cn1 731318765 OOQVWZDVHYOJLK-UHFFFAOYSA-N 283.306 3.975 30 20 CHED C=C[C@@H](CCC(=O)O)NC[C@H](CCC)c1ccccc1 904014528 UIYNLFUQSOIVSL-HOTGVXAUSA-N 275.392 3.579 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc3c(c2)OCO3)c1 734979786 DKJNSDCZWZBZDS-UTCJRWHESA-N 284.286 3.759 30 20 CHED Cc1c(Cl)c(COC(=O)C#CC2CC2)nc2ccccc12 838370323 QTJSCEURVLJDJB-UHFFFAOYSA-N 299.757 3.653 30 20 CHED C[C@@H](NN=CC1CCC(C(F)(F)F)CC1)C(F)(F)F 834998738 XCPUQCPFKQDJIP-AFPNSQJFSA-N 290.251 3.881 30 20 CHED N#CC1(CCCCOC(=O)c2ccc(F)cc2F)CCC1 908702250 OOHANYFQAWYQSL-UHFFFAOYSA-N 293.313 3.986 30 20 CHED N#Cc1ccc(F)c(C(=O)N2CCCC23CCCCC3)c1 831340878 LPTDJUBYNMNGQI-UHFFFAOYSA-N 286.350 3.636 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 584031674 XTULTEVQJLDXQR-HZUKXOBISA-N 286.375 3.501 30 20 CHED C=CCCOCC(=O)Nc1cc(C(F)F)ccc1Cl 676113461 PQFQZXUADRVDSJ-UHFFFAOYSA-N 289.709 3.809 30 20 CHED C=CCCC[C@H](N)c1nc(Cc2ccc3c(c2)CCC3)no1 904681140 AWONDSUNNSYVOD-INIZCTEOSA-N 297.402 3.505 30 20 CHED CC(C)(C)OC(=O)Nc1ccc(C=NOCC2CC2)cc1 834982180 PWIAIMTVBRRNSJ-UHFFFAOYSA-N 290.363 3.794 30 20 CHED C=CC[S@@](=O)Cc1nc(C2CCCCC2)cs1 905195535 DUHPTOLSZRBXRO-QGZVFWFLSA-N 269.435 3.626 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 839038066 BGGPCIRAUBAULB-WCQGTBRESA-N 296.288 3.553 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C/c1ccco1 914611475 BFPXTCKJQLYPRJ-ZHACJKMWSA-N 267.328 3.508 30 20 CHED CCCCCCCCCN(C)C(=O)c1cncnc1CC 918668877 VKYFCISTZPPVBN-UHFFFAOYSA-N 291.439 3.862 30 20 CHED O=C(/C=C\c1ccc(C(=O)O)[nH]1)c1ccc2ccccc2c1 833094675 JWZBEHMKBVDJCR-NTMALXAHSA-N 291.306 3.762 30 20 CHED C[C@@H]1CCCc2ccccc2[C@H]1NC[C@H](C#N)CCC#N 591760872 KOWLDFYGUMQTEM-VKJFTORMSA-N 281.403 3.733 30 20 CHED C#CCC[C@@H](C)OC(=O)COc1ccccc1C(C)C 839032004 JSWURIRLEZWAAX-CQSZACIVSA-N 274.360 3.534 30 20 CHED N#Cc1ccc(-c2ccc(N3CCCCC3=O)cc2)s1 592988117 FRNSDFNXOLHOGN-UHFFFAOYSA-N 282.368 3.804 30 20 CHED CSc1ccc(Cl)c(NC(=O)NCC(C)(C)C#N)c1 596983743 IRYSHKNZKZMNJF-UHFFFAOYSA-N 297.811 3.733 30 20 CHED N#CCCSc1ccccc1NC(=O)C1CC2(CC2)C1 597176724 JNVRRJCDRIZROX-UHFFFAOYSA-N 286.400 3.821 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)c1ccc(C)cc1 917559586 PYVLGGRLSAJLQM-NCUBORBFSA-N 269.344 3.889 30 20 CHED C[C@@H](OC(=O)/C=C\c1ccsc1)c1ccc(C#N)cc1 748680964 YBDQIJMSOMGRIJ-DJFZKKHWSA-N 283.352 3.937 30 20 CHED CCCCc1ccc(C(=O)N(C)c2ccc(C#N)nc2)cc1 593272227 HCZPMDGHFMYREJ-UHFFFAOYSA-N 293.370 3.572 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](c1ccccc1)C(C)(C)C 845638828 NEIFGCBBJZQRDA-TZMCWYRMSA-N 276.380 3.579 30 20 CHED CC[C@@](C)(C/N=C/c1c(O)ccc2ccccc12)OC 840708717 YJGMHQWLKGAXIT-SZLZGVTBSA-N 271.360 3.779 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccnn1CC1CC1 849244206 VUKUNUCVRYDJCH-SOFGYWHQSA-N 296.370 3.506 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc2c(c1)-c1ccccc1C2 749613668 WRAXUCCVUCNYOQ-LJQANCHMSA-N 290.366 3.680 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccco1 914502079 QUHATWAEEPLOLV-KTKRTIGZSA-N 294.354 3.602 30 20 CHED Cc1cc(C)cc(OCCC(=O)Oc2ccc(C#N)cc2)c1 912975207 LJHIHOAWZJZIQB-UHFFFAOYSA-N 295.338 3.550 30 20 CHED Cc1ccc(CNC[C@@H](O)CC(C)(C)C#N)c2ccccc12 598728496 TYADJGLPCSYQHB-INIZCTEOSA-N 296.414 3.539 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C2CCC2)C1 591061827 JZIUSMUNHVUBEH-GUYCJALGSA-N 254.377 3.741 30 20 CHED C=C(C)CONC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 844554607 QNMXDSGKNSOCOV-UHFFFAOYSA-N 290.363 3.545 30 20 CHED COc1ccc2c(c1)C(=NNc1ccc(F)cc1F)CC2 747624539 OABTZQLPIYAYHB-UHFFFAOYSA-N 288.297 3.736 30 20 CHED CCCC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)C(C)C 598818021 IVBHEFRLBHFODM-CHWSQXEVSA-N 252.402 3.503 30 20 CHED CCO[C@H]1CC(=NNC2CCCC2)C12CCCCC2 741464149 MYKFPUULZZMIEP-HNNXBMFYSA-N 264.413 3.634 30 20 CHED CC#CCOC(=O)c1ccc(-c2ccccc2Cl)o1 744504634 RIFVLYYOSRGZQP-UHFFFAOYSA-N 274.703 3.780 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNC2CCCCC2)c1 742370921 AYUFYNCQCIJDBH-INIZCTEOSA-N 272.392 3.790 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCc3cc(F)ccc32)cc1 595055487 FSPCKIWVAVDPFB-GOSISDBHSA-N 280.346 3.517 30 20 CHED CC(C)[C@@H]1C[C@H](NC(=O)NCCCCC#N)c2ccccc21 598983521 NVPWGKNDVRPYBB-IRXDYDNUSA-N 299.418 3.864 30 20 CHED COc1cccc(/C=N\C2CCC(CSC)CC2)c1O 840707939 SYEXGOBOXVXVJJ-YVLHZVERSA-N 293.432 3.742 30 20 CHED Cn1ccc(C=NNc2ccc(Cl)cc2Cl)c1 749854846 ZMRZPOOASDPNDE-UHFFFAOYSA-N 268.147 3.778 30 20 CHED C#CCOc1ccc(CN[C@H](C)C2CCCCC2)cc1 742373264 IRCSUGUSOWZNPD-OAHLLOKOSA-N 271.404 3.757 30 20 CHED Oc1ccccc1/C=N\CCOc1ccc(Cl)cc1 743334394 WXVLLCQJIBZUSC-BOPFTXTBSA-N 275.735 3.544 30 20 CHED C=C(C)CCOC(=O)C[C@H]1CCc2ccccc2C1 744303052 MDXBCXFRWIBNBY-AWEZNQCLSA-N 258.361 3.691 30 20 CHED CC(=NOCc1cccnc1)c1ccc(OC(C)C)cc1 746576202 HNALEVSHKXUZJD-UHFFFAOYSA-N 284.359 3.810 30 20 CHED CCn1c(C(C)=NOCc2ccccc2)nc2ccccc21 741459302 ZOVRWTICWLNTAD-UHFFFAOYSA-N 293.370 3.997 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc2cc[nH]c12 926293343 WJVSPIBMNPIDQY-LBPRGKRZSA-N 255.365 3.586 30 20 CHED C=C(Cl)COc1c(C(=O)OC)ccc2ccccc12 928989088 OXOXVQYTSJBIKM-UHFFFAOYSA-N 276.719 3.758 30 20 CHED CCn1nc(C)c(C=NNc2cccc(Cl)c2)c1C 755471219 FDRJGIMRRSPFJH-UHFFFAOYSA-N 276.771 3.619 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)c1 752876185 WWWKQLISLSBUFM-QPJJXVBHSA-N 296.257 3.502 30 20 CHED CSCCON=C[C@H]1CCC[C@H](C(F)(F)F)C1 853341272 KUHCVJOWHXPRKA-UWVGGRQHSA-N 269.332 3.721 30 20 CHED CCON=C(C)c1ccc(N2CCCCCC2)cc1 921137629 FTVSAINMJRGGPF-UHFFFAOYSA-N 260.381 3.828 30 20 CHED Cn1cc(C=NOCc2ccccc2)c2ccccc21 755631945 LGNAYBQMUROOEA-UHFFFAOYSA-N 264.328 3.729 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@](C)(CC)C1)c1ccccc1 757773834 FLWCZVZJOJHNSI-HKUYNNGSSA-N 298.430 3.973 30 20 CHED C=C1CCN(C(=O)/C(C)=C/c2cccc(Cl)c2)CC1 759013044 LRJBLLIBPAWTLI-JLHYYAGUSA-N 275.779 3.922 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2ccc(C#N)c(Cl)n2)c1 753004898 TVPKQBDJFFVGPI-UHFFFAOYSA-N 299.761 3.500 30 20 CHED C=C1CC(c2noc([C@@]3(C)CC(c4ccccc4)=NO3)n2)C1 924122754 UOBUXFRRXNKWIF-QGZVFWFLSA-N 295.342 3.543 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)C1 855257081 XCBOPVYUHHVDRN-RYQLBKOJSA-N 296.414 3.723 30 20 CHED CCSc1ccc(C(=O)/C=C\c2cnn(CC)c2)cc1 755606629 JXDJHHKXRIKKEH-YHYXMXQVSA-N 286.400 3.911 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc(C)c(OC)cc1C 753684688 AVXWLSFTJPPDPK-HNNXBMFYSA-N 277.408 3.555 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc2cnccc12 851210917 ZRRXHWOJKXNLGP-LBPRGKRZSA-N 282.343 3.720 30 20 CHED CCOc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851214580 SIUVGNIUBCAMEB-GFCCVEGCSA-N 275.348 3.570 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 935307098 FWDYHPPDOSWAPZ-ZFWWWQNUSA-N 289.423 3.560 30 20 CHED N#Cc1cc(F)cc(NCc2c(O)ccc(Cl)c2F)c1 864043058 FWXHNPJAGHVPHT-UHFFFAOYSA-N 294.688 3.808 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2ccccc2F)cc1 767730973 SYBLLDINUZATRJ-KHPPLWFESA-N 284.286 3.508 30 20 CHED N#Cc1cc(COC(=O)c2ccc3sccc3c2)ccn1 761243651 LZSOHYRDONGGDM-UHFFFAOYSA-N 294.335 3.525 30 20 CHED C#CCCCCCc1nc(-c2ccc(C)c(OC)c2)no1 761658253 WZNATCYOXXBJLX-UHFFFAOYSA-N 284.359 3.790 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNc1ccc(Cl)nn1 769566921 KIHLUFZKWKMDKF-NXEZZACHSA-N 266.776 3.744 30 20 CHED CC(C)c1ccc(CC=NOCC(F)(F)F)cc1 760246277 IWTROFBWWSSBSD-UHFFFAOYSA-N 259.271 3.917 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCCc2cc(OC)ccc2C1 931888178 BXALVRSPCOYATC-AWEZNQCLSA-N 287.403 3.572 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(C)c(O)c(C)c1C 935451103 KBQNLQANXOLFTQ-ZDUSSCGKSA-N 261.365 3.858 30 20 CHED Fc1ccc(F)c(C=NNCc2ccc(Cl)cc2)c1 764718596 OKSAYIDPTJCQOL-UHFFFAOYSA-N 280.705 3.742 30 20 CHED Cc1cc(/C=C2/Oc3ccccc3C2=O)cnc1Cl 760266553 WANCQWMRCJIXJW-NTUHNPAUSA-N 271.703 3.660 30 20 CHED CC(C)(C)CCNN=Cc1c(F)ccc(F)c1Cl 863106696 LYWSBHKJZOFWQM-UHFFFAOYSA-N 274.742 3.978 30 20 CHED C#CCCCCCC(=O)NCCc1c(F)cccc1Cl 1116513625 UEAGSIWTFGDENG-UHFFFAOYSA-N 295.785 3.722 30 20 CHED CCC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)c(F)c1 766540773 ZVHAJCAPMGQGHR-UHFFFAOYSA-N 297.285 3.509 30 20 CHED CCC(CC)[C@@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 762019816 YNRGPAUVASQWBI-DGCLKSJQSA-N 283.375 3.811 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1nc2ccccc2[nH]1 765992445 BFJLDSQOSTZMCC-SNVBAGLBSA-N 256.353 3.787 30 20 CHED Cc1ccc([C@H](C)CNCc2cccc(OCC#N)c2)cc1 1118881908 HMWHSZYPFKPVJK-MRXNPFEDSA-N 294.398 3.791 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2ccccc2)nn1 779981697 QCSQVVBHCXAZNV-UHFFFAOYSA-N 293.370 3.666 30 20 CHED CC[C@H]1CCCCC1=NNc1ccc(C(F)(F)F)nn1 779782458 JNYJZZZZYKIWHP-VIFPVBQESA-N 286.301 3.864 30 20 CHED C#CCCCCCCN[C@H](C)C[C@@H](O)c1cccs1 877131431 ZZMKAWUJDREOPW-HUUCEWRRSA-N 279.449 3.733 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 879199460 CVQNPGJCYCJRTE-AWEZNQCLSA-N 279.424 3.587 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1Nc1cccc(CC#N)n1 1116636382 MWFMENQTUSTFDU-TZMCWYRMSA-N 257.381 3.774 30 20 CHED C[C@H]1CC[C@@H](OC(=O)CSCc2ccc(C#N)cc2)C1 779262502 GJIREGSFITWYCZ-SWLSCSKDSA-N 289.400 3.523 30 20 CHED CCOc1ccc(C=NNc2cc(Cl)ccn2)cc1 777905490 JYVFWQOAIXKMGP-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C=CC[C@H](N[C@@H]1C[C@@H](OC)C1(CC)CC)c1ccncc1 776157071 NPFZBZXDMJPAQC-GVDBMIGSSA-N 288.435 3.882 30 20 CHED Cc1ccc(F)cc1C(=O)OCc1ccc(CC#N)cc1 776114811 SJACFLUZPMEQDB-UHFFFAOYSA-N 283.302 3.557 30 20 CHED C[C@@H](NC(=O)NCCCCC#N)c1ccc(Cl)c(F)c1 1116427651 XPNDURRGXLQUPE-SNVBAGLBSA-N 297.761 3.533 30 20 CHED CCC(=NOC1CCOCC1)c1ccc(Cl)cc1 774450201 DLTFZTVQEFTROI-UHFFFAOYSA-N 267.756 3.650 30 20 CHED O=c1ccccn1N=Cc1ccc(F)c(-c2cccs2)c1 776790515 CYZOWZLVKKYRGE-UHFFFAOYSA-N 298.342 3.598 30 20 CHED C=C(C)[C@@H](NC(=O)C1(F)CCCC1)c1ccc(F)c(F)c1 772329012 RFPJWHPPTKXQPO-CQSZACIVSA-N 297.320 3.981 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1ccccc1)c1cccnc1 878722245 QUVSWYZEESJZCG-GOSISDBHSA-N 294.398 3.890 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc2cccnc2c1 870340978 KBGWVAKHYHFKOD-UHFFFAOYSA-N 282.343 3.722 30 20 CHED COC[C@H](C)NN=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 777901468 LTSWRBZBPWTOBX-YCPHGPKFSA-N 274.408 3.571 30 20 CHED COc1cccc(NN=CCCc2ccc3c(c2)CCO3)c1 774360668 CYGPOBORZUSWJH-UHFFFAOYSA-N 296.370 3.661 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2ccc(F)c(C#N)c2)c1 770571423 DABOHMQXCSEHKM-QPJJXVBHSA-N 281.286 3.608 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)Oc2cc(F)ccc21 779967056 JMMKRLBHCXFQPZ-CYBMUJFWSA-N 289.350 3.523 30 20 CHED CCCOc1ccc(C=NOC2CCCC2)cc1OC 774596639 IXRHKAKNDGHFID-UHFFFAOYSA-N 277.364 3.777 30 20 CHED O=C(/C=C\c1cc2cc(F)ccc2o1)c1cscn1 776192734 SQISTHIKESNYCG-IHWYPQMZSA-N 273.288 3.925 30 20 CHED C=CC(C)(C)CC(=O)O[C@H](C)c1nc(CCCC)no1 884651511 PTWBZDLNVCTSED-LLVKDONJSA-N 280.368 3.619 30 20 CHED CCCC(=NNc1cncc(Cl)n1)c1ccsc1 785452750 JHUGDHPPWXECGD-UHFFFAOYSA-N 280.784 3.808 30 20 CHED C[C@@H]1CC[C@H](CON=C(c2ccccc2)C(F)(F)F)O1 789084125 MPBDDZLYCQXOMC-ZYHUDNBSSA-N 287.281 3.537 30 20 CHED CC(C)[C@@H](F)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 784507160 RIJIDQKDMKDFDM-JOYOIKCWSA-N 294.326 3.606 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)COc2ccccc21 782306041 OXNDTCSFIFVBIC-YRNVUSSQSA-N 283.352 3.679 30 20 CHED N#Cc1ccc(COC(=O)CC2CCCC2)c(Cl)c1 784187469 MWUKNOPWHPBIAA-UHFFFAOYSA-N 277.751 3.835 30 20 CHED C#CCC1(C(=O)NCC(C)(C)C(C)C)CCCCC1 788245635 RIARKDDUXFIMEK-UHFFFAOYSA-N 263.425 3.759 30 20 CHED C=C(C)CCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 387410419 MEROCTYHTGTDOQ-CQSZACIVSA-N 296.455 3.578 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(F)F)cc2)n(C)n1 789155497 AIGNVQHXPLICTD-YVMONPNESA-N 276.286 3.562 30 20 CHED N#CCCN(Cc1cccnc1)Cc1ccccc1Cl 78662498 AGWFFMIXWHSWHP-UHFFFAOYSA-N 285.778 3.651 30 20 CHED C#CCCCCC(=O)N1Cc2ccccc2[C@@H]1CC 890613472 ZEJJNWDIUCJZLW-INIZCTEOSA-N 255.361 3.674 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C\c1ccc[nH]1 783627731 HYYSIIABQRKTSP-KHPPLWFESA-N 272.392 3.623 30 20 CHED C#CCCCN[C@@H](c1cccc(OC(C)C)c1)C(F)F 788779099 UWHUKKYCDJUQNZ-HNNXBMFYSA-N 281.346 3.783 30 20 CHED COC[C@H](Sc1ccc(C#N)c(C)n1)c1ccccc1 897004374 ZMBLQICMBLAHBY-HNNXBMFYSA-N 284.384 3.742 30 20 CHED C#CCCCCC(=O)NCC[C@H](C)CC(C)(C)C 785613068 JYJOEAGUFADKBH-AWEZNQCLSA-N 251.414 3.759 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccco2)ccc1OC 83201383 ZVLMDEHTTXULAF-SOFGYWHQSA-N 272.300 3.583 30 20 CHED COc1cc(NN=Cc2cnc(C)s2)ccc1Cl 788471991 NBYNXRBCNQAPCI-UHFFFAOYSA-N 281.768 3.560 30 20 CHED C=CCCN(C)C(=O)/C=C\c1ccc2cc(OC)ccc2c1 786672615 ZJDDYNXOUFJSQA-XFFZJAGNSA-N 295.382 3.896 30 20 CHED CCC(=O)c1c(Cl)cccc1N1CCC[C@@H](C#N)C1 895648725 GLAJJXARRDTIAK-NSHDSACASA-N 276.767 3.673 30 20 CHED Cc1cc(NC(=O)c2ccc(CC(C)C)s2)ncc1C#N 1130503740 JNZNQTFGRGQREP-UHFFFAOYSA-N 299.399 3.774 30 20 CHED C=C(C)CN(CC)Cc1cc(C(C)=O)ccc1OCC 170695128 VCSDZUYDHCHGND-UHFFFAOYSA-N 275.392 3.686 30 20 CHED C[C@H](CC1CCCC1)Nc1cccc(OCC#N)c1 689739872 SASDCLMQYHEHIP-CYBMUJFWSA-N 258.365 3.970 30 20 CHED C[C@@H](NN=Cc1cn[nH]c1-c1ccc(F)cc1)C(C)(C)C 793113011 YXJSRYGXQDKORX-LLVKDONJSA-N 288.370 3.574 30 20 CHED CC(C)Oc1ccc(OC(=O)c2ccc(F)c(C#N)c2)cc1 790532283 FEXXMNCOLHPOKM-UHFFFAOYSA-N 299.301 3.704 30 20 CHED Cc1ccnc(NN=CCc2cccc(Cl)c2)c1 794919332 WDFDUESCNVQWLH-UHFFFAOYSA-N 259.740 3.684 30 20 CHED C=C(Br)COc1c(F)c(F)cc(F)c1F 193693021 WSEQOKJLTOZVFD-UHFFFAOYSA-N 285.034 3.530 30 20 CHED COc1ccc([C@@H]2C[C@H]2Nc2ncc(C#N)cc2Cl)cc1 795258001 HDYWEHBFRHGBPA-DZGCQCFKSA-N 299.761 3.583 30 20 CHED CCCCCC[C@@H](C)CC(=O)NCC1(CC#N)CC1 797562253 ZCWYAGVRYJXCGE-CQSZACIVSA-N 264.413 3.793 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cc3c(cc2Cl)OCCCO3)C1 799722954 XBHTUFVYPRPZTI-WDEREUQCSA-N 292.766 3.605 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 798022882 URMFILRZHIHAEK-SHTZXODSSA-N 287.378 3.772 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CC1CCSCC1 799442548 PCHPJXCSGXSREV-UHFFFAOYSA-N 289.400 3.559 30 20 CHED CC[C@H]1CCC[C@H](Nc2nc3c(cc2C#N)CCC3)C1 85065947 XZQIYTNMXNGRGE-WFASDCNBSA-N 269.392 3.823 30 20 CHED N#Cc1ccc(CSc2nc3ccccc3s2)nc1 788096171 ASINWLDVCFWLLZ-UHFFFAOYSA-N 283.381 3.855 30 20 CHED Cc1ccc(C#N)c(NCCc2c(F)cccc2Cl)n1 1319642417 RNCPOFQMUIZQCE-UHFFFAOYSA-N 289.741 3.709 30 20 CHED Cc1nc(C#N)cc(NC2CCC3(CCCCC3)CC2)n1 1163055422 XRAMUPUYOKWCAK-UHFFFAOYSA-N 284.407 3.962 30 20 CHED C[C@@H]1CC(=NOC(C)(C)C)c2c(O)ccc(F)c21 1319685564 WRVYYQPGWMAMTQ-MRVPVSSYSA-N 251.301 3.558 30 20 CHED C=CCCCCCOC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1322142336 XZIUVGWEEGBHKV-RCDYEMGKSA-N 292.419 3.607 30 20 CHED CC(C)(C)c1ccc(NN=C2CCC[C@H]2C(C)(C)C#N)nn1 1327802703 UUCWONCEKGWVDD-GFCCVEGCSA-N 299.422 3.892 30 20 CHED C=C(C)C(C)(C)c1nnc(-c2ccc(Cl)nc2)o1 1327853246 XJMOMXYEVMQXIN-UHFFFAOYSA-N 263.728 3.639 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1c1cc(C)c(C#N)cn1 1185536347 YMPKYTQMRKDLKJ-SWLSCSKDSA-N 257.381 3.667 30 20 CHED N#Cc1ccc(CNc2cc(C(F)F)ncn2)cc1Cl 1186247243 ALWLUHNQGBJMEC-UHFFFAOYSA-N 294.692 3.551 30 20 CHED C[C@H](c1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 1330099145 KQMJZNRQUFZSLU-JTQLQIEISA-N 253.305 3.512 30 20 CHED N#Cc1ccccc1N(C(=O)C1CC2(CC2)C1)C1CCC1 1333635849 VAGMVXPYKWKBRU-UHFFFAOYSA-N 280.371 3.634 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 1262609034 BEYNXGSTWKIBCI-ZFWWWQNUSA-N 275.367 3.886 30 20 CHED C=C(C)CCC(=O)Nc1ccc2cnn(C(C)C)c2c1 1262606336 KKZITGRWHJFETM-UHFFFAOYSA-N 271.364 3.912 30 20 CHED C=CCC(CC=C)c1nnc(-c2ccc(OC)cc2)o1 1341364816 DPKZTYDWJXXPQT-UHFFFAOYSA-N 270.332 3.981 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1CC[C@H](C2CC2)C1 1342042631 BVRVOXBMDBHXIK-INIZCTEOSA-N 298.434 3.524 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2cnc(Cl)cc2C#N)C[C@H]1C 1340723291 YQKNBZPFMZGPRX-GMTAPVOTSA-N 291.782 3.617 30 20 CHED N#Cc1ccc(C(=O)OC[C@H]2CCCC(F)(F)C2)c(F)c1 1345947579 BRRARWBXRVWATM-NSHDSACASA-N 297.276 3.680 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1coc2cc(C)c(C)cc12 1340891850 KDSVRQULLMSEJH-ZDUSSCGKSA-N 284.359 3.814 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1ccc(C)s1 1347522149 OCAPSQNMFLXYPT-AWEZNQCLSA-N 277.433 3.946 30 20 CHED Cc1c(C(=O)O[C@H](CC#N)c2ccco2)ccn1C(C)C 1346706459 KDZBETOPYRPJQH-OAHLLOKOSA-N 286.331 3.782 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N1CC[C@H](C2CCC2)C1 1351733115 SCHWFFNPBYMOEI-INIZCTEOSA-N 298.434 3.524 30 20 CHED CCCCCCCC(=O)Nc1ccccc1CC(=O)O 107454446 JZJMVOMUBACAIN-UHFFFAOYSA-N 277.364 3.613 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)C1CCCC1)c1cccc(Cl)c1 1350304415 IBZYOJYVBBNTIB-ABAIWWIYSA-N 290.794 3.642 30 20 CHED N#Cc1ccc(C(=O)Nc2cc3ccccc3cc2C#N)cc1 1436724663 MIAWIBRGCHWDDH-UHFFFAOYSA-N 297.317 3.835 30 20 CHED CCN(C(=O)c1ccc2c(c1)oc1ccccc12)[C@H](C)C#N 1280443867 YNWGCKUHAMROAF-GFCCVEGCSA-N 292.338 3.960 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 1361167854 GMBWWOAMSVRLII-RISCZKNCSA-N 274.339 3.852 30 20 CHED C=C(C)CCC(=O)OCc1nc(-c2ccccn2)cs1 1518180064 SIEWDXAVGZFJFG-UHFFFAOYSA-N 288.372 3.605 30 20 CHED CC[C@H](CNC(=O)c1cc(C#N)ccc1F)c1ccccc1 1519853071 KWZDWJWGEIJXQC-CQSZACIVSA-N 296.345 3.621 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C(C)(C)Cc1ccc(Cl)cc1 1518826930 YASHADWYJVGZGP-LBPRGKRZSA-N 292.810 3.669 30 20 CHED CCCC[C@H](CC)CC(=O)N(CC)[C@H](C#N)CC 1536521853 PUANDOXMZGHYNS-KBPBESRZSA-N 252.402 3.744 30 20 CHED CSc1cc(F)ccc1NC(=O)c1csc(C#N)c1 1537378799 VHTLTXVDCWKVKN-UHFFFAOYSA-N 292.360 3.733 30 20 CHED CCC1(NCc2ccc(C#N)cc2OC(F)F)CCCC1 1473489031 WEMSEYIPCKCBTK-UHFFFAOYSA-N 294.345 3.972 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1cc(F)cc(C#N)c1 1476982910 SUXXGGBJAFFGKX-OLZOCXBDSA-N 289.354 3.645 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2CCc1ccc(C#N)cc1 1615826881 XJWXEVFMMOZFDT-OAHLLOKOSA-N 292.382 3.697 30 20 CHED CCC[C@H](NC[C@H](O)c1cccc(C#N)c1)c1ccccc1 1473338237 SXWLFXQEDHLSBS-OALUTQOASA-N 294.398 3.723 30 20 CHED Cc1csc(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1C#N 1476558951 NQZVEBAYRDNXBC-CMPLNLGQSA-N 291.420 3.971 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 1623025537 PQLPHYUWQQBNBE-NEPJUHHUSA-N 289.354 3.645 30 20 CHED N#Cc1cc(N(Cc2ccco2)Cc2cccs2)ccn1 1639229716 MCAHIGVNUYFSQR-UHFFFAOYSA-N 295.367 3.815 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2cccc(O)c2)cc1 1641049761 VLQVZVUWIYKCJI-INIZCTEOSA-N 269.369 3.928 30 20 CHED Cc1cccc(CN(CC(C)C)c2nc(C)cc(C#N)n2)c1 1651434170 OUUYAESCTFRWGI-UHFFFAOYSA-N 294.402 3.628 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)n2)CC12CCCCC2 1652263830 IZNRQJAPFWXTPY-OAHLLOKOSA-N 283.419 3.746 30 20 CHED Cc1cc(C#N)nc(NC[C@@H]2CCC[C@@H]2c2ccccc2)n1 1651096014 JYLQAYHRQZCMHT-DOTOQJQBSA-N 292.386 3.653 30 20 CHED CCc1ccc(CCC(=O)Nc2cc(C#N)ccc2F)cc1 1596928787 SVPKTLOZVPXSHB-UHFFFAOYSA-N 296.345 3.831 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 161057160 LOOGFLYPBFLJEB-NEPJUHHUSA-N 283.293 3.501 30 20 CHED C=C(Cl)CN[C@H](C)c1cnc2ccsc2c1 161738852 SGLZIXWGWZZOCX-SECBINFHSA-N 252.770 3.699 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)C[C@@H]1CCCCC1(C)C 161891417 VMJIULWBMDNXJU-QWHCGFSZSA-N 264.413 3.647 30 20 CHED Cc1ccc(F)c(CNc2ncccc2OCCCC#N)c1 162253297 VBZLSESZJBJEKK-UHFFFAOYSA-N 299.349 3.824 30 20 CHED Cc1ccc(C#N)c(NCc2ccccc2OC(C)C)n1 160750603 XVWMFEXEJKSFFA-UHFFFAOYSA-N 281.359 3.661 30 20 CHED Cc1cc(C)cc(NCc2cc(C#N)ccc2F)c1 20053392 DQOAOBCAFJJMHQ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1oc(-c2cccs2)nc1CN(CCC#N)C(C)C 1180012167 WULUXTQRCGEOQW-UHFFFAOYSA-N 289.404 3.836 30 20 CHED CCOc1cc(C#N)ccc1OCc1csc(CC)n1 42337174 VXJDYKIWOLZYPT-UHFFFAOYSA-N 288.372 3.555 30 20 CHED C=CCCOC(=O)c1cc(C(F)(F)F)ccc1F 162837666 BRVQZPBRCJLWNZ-UHFFFAOYSA-N 262.202 3.577 30 20 CHED CCS[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 285593596 BOCBCKLFFBVRDH-UHOFOFEASA-N 274.433 3.883 30 20 CHED CC(C)(C)c1cnc(CNc2nc(Cl)c(C#N)s2)o1 287982299 AOYUVBGCSFLUGH-UHFFFAOYSA-N 296.783 3.566 30 20 CHED CC(C)N(CCNc1ccc(Cl)cc1C#N)C(C)C 52856716 OZDKCNNLMYYNQA-UHFFFAOYSA-N 279.815 3.742 30 20 CHED COc1cc(CN(C)[C@H]2CCCC[C@H]2C)ccc1C#N 300197543 LWBVXVMZNZJIAM-CJNGLKHVSA-N 272.392 3.577 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)cc2Cl)C[C@@H](C)O1 300437386 CWCVGDARIXWFSK-PEGIJTEDSA-N 264.756 3.580 30 20 CHED CS[C@H]1CCCCN(c2cc(Cl)ccc2C#N)C1 301794452 SGPWTGBOYSAMKN-ZDUSSCGKSA-N 280.824 3.934 30 20 CHED CSC1(CN[C@H](C)c2ccc(OCC#N)cc2)CCC1 193801058 TWNASSZIQVGAMZ-CYBMUJFWSA-N 290.432 3.525 30 20 CHED C[C@H](C#N)OCCN(Cc1ccccc1)Cc1ccccc1 307495057 IENSUSHYRJVRNV-QGZVFWFLSA-N 294.398 3.617 30 20 CHED CCc1ccc(CNCc2ccc(C#N)c(F)c2)s1 404137232 XYUMOTGNEXFGCT-UHFFFAOYSA-N 274.364 3.611 30 20 CHED C=C(Br)CNC(C)(C)c1ccccc1F 309018719 VSBDUQJFGQQHDX-UHFFFAOYSA-N 272.161 3.559 30 20 CHED CCC(C)(C)C(=O)COc1cc(Cl)cc(C#N)c1 311189648 CZXQAMKUUHGJQH-UHFFFAOYSA-N 265.740 3.596 30 20 CHED Cc1nc(Nc2ccc(OC(C)C)cc2)ccc1C#N 312245864 DMKYOKRLZCPUKA-UHFFFAOYSA-N 267.332 3.793 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2ccc(F)cc2C#N)CCO1 487143638 WTPJYPJHFZPBPI-UKRRQHHQSA-N 276.355 3.703 30 20 CHED C=C(Cl)CSc1nccn1Cc1ccccc1 809480479 LNPAPXXAHRBKMO-UHFFFAOYSA-N 264.781 3.776 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCC2(F)F)c(F)c1 394479974 KHTQYZHSYBHZLC-NSHDSACASA-N 268.282 3.935 30 20 CHED N#CCc1ccc(COc2ccc3c(c2)CCC3)cc1 398996020 PEUMCWMBGOADAK-UHFFFAOYSA-N 263.340 3.820 30 20 CHED C[C@H](NCc1cccc(C#N)c1)[C@H]1CCC[C@@H](C)C1 1646205510 XHKYZNDRHSNAGJ-KEYYUXOJSA-N 256.393 3.863 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@@H](C#N)c1ccccc1F 108799590 SKYFXCSDGJOQMH-DOMZBBRYSA-N 276.355 3.579 30 20 CHED CC(C)(NCc1cccc(C#N)c1)c1ccc(F)cc1 103173252 URQQRWBMSVYWMH-UHFFFAOYSA-N 268.335 3.722 30 20 CHED CCCCCCCC(=O)Nc1ccccc1C(=O)NCC 100168783 JWGQUWMYSXGNSG-UHFFFAOYSA-N 290.407 3.735 30 20 CHED C=CCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 102245650 CMVGNEKFYTWRTQ-UHFFFAOYSA-N 294.354 3.844 30 20 CHED CCCCCCCC(=O)NC1(C#N)CCCCC1 103431878 GVIGRZGKQQQNPV-UHFFFAOYSA-N 250.386 3.690 30 20 CHED Cc1ncsc1/C=C1\CSc2ccc(F)cc2C1=O 172816300 CGZHUWJLFARLDB-RUDMXATFSA-N 291.372 3.963 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCC(C)(C)C)c1 113960744 XAOAPONUORBADT-AWEZNQCLSA-N 260.381 3.503 30 20 CHED CCS[C@@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 112089115 KJCXDHMSQBIZDR-OAHLLOKOSA-N 292.423 3.805 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCC(C)(C)C)c1 113960746 XAOAPONUORBADT-CQSZACIVSA-N 260.381 3.503 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2ncccc2[N+](=O)[O-])cc1 65693098 BQYDWXXFQIWJHX-ZDUSSCGKSA-N 299.355 3.525 30 20 CHED Cc1ccc(N/C(N)=N/CCCc2ccccc2)cc1C 303707349 MEVXRHGZOQBENU-UHFFFAOYSA-N 281.403 3.663 30 20 CHED C=CCc1cc(/C=C/C(=O)c2occc2C)cc(OC)c1O 119007441 LYUFGBSGWCJQQX-VOTSOKGWSA-N 298.338 3.927 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCCOc2ccc(F)cc2)C1 185775754 YLGSSAHMMPIKBO-GOEBONIOSA-N 290.382 3.657 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccccc1-c1ccccc1C#N 113692326 MYDITNPPKIIQSO-ZDUSSCGKSA-N 290.322 3.684 30 20 CHED C#CCCCN[C@@H](C)c1ccc(SC)c(F)c1 178055788 BLUZRYLDTWFITD-NSHDSACASA-N 251.370 3.612 30 20 CHED C[C@@H]1CC[C@@H](C)N1c1ccc(C(F)(F)F)c(C#N)c1 302194619 NRQCNWJZNJYAPX-NXEZZACHSA-N 268.282 3.954 30 20 CHED N#CCCCOC(=O)C1CCC(c2ccccc2)CC1 173865597 JBSCLSVIDOCTAX-UHFFFAOYSA-N 271.360 3.807 30 20 CHED N#CCCCCNC(=O)N1CCC[C@@H](c2ccccc2)CC1 170884733 HFOPDAVLKQVEJK-QGZVFWFLSA-N 299.418 3.660 30 20 CHED Cc1ccccc1-c1nnc(SC[C@H](C#N)CCC#N)o1 66239258 VJHCMRCNBQESSS-LBPRGKRZSA-N 298.371 3.581 30 20 CHED C=C[C@@H](CC(=O)NC(C1CC1)C1CC1)c1ccccc1 128809629 JLMYIMWTHJDZJP-ZDUSSCGKSA-N 269.388 3.651 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)c1cccs1 121580809 RPCGDNNOXVPATG-LBPRGKRZSA-N 278.421 3.830 30 20 CHED CCc1c(C)sc(NC(=O)[C@H]2C[C@@]2(C)CC)c1C#N 127809146 JYFJZZZQONIOSS-IUODEOHRSA-N 276.405 3.865 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1ccccc1O)c1ccccc1 129606640 PXNJRMCFELCJHB-HNNXBMFYSA-N 295.382 3.711 30 20 CHED CC#CCCCC(=O)N(Cc1ccco1)Cc1ccco1 184342201 KDTFGSXWFBVTJC-UHFFFAOYSA-N 285.343 3.595 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1 32416387 LHDQDPBOIWRTEZ-CVEARBPZSA-N 284.403 3.893 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2F)c(OC)c1 33391503 DDEGWQCQTFQKBQ-YFHOEESVSA-N 286.302 3.739 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1cc(C)ccc1C 122762311 OGHKQODTSMVYJB-INIZCTEOSA-N 257.377 3.933 30 20 CHED CCSCc1ccnc(N[C@H]2CCC[C@@H](C#N)C2)c1 185873051 PAVLMTDLEWJWJJ-OCCSQVGLSA-N 275.421 3.829 30 20 CHED N#CC1(CCN2CCO[C@@H](c3ccco3)C2)CCCCC1 411319013 ABNWIVWJJKOCAU-MRXNPFEDSA-N 288.391 3.517 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1nc2cc(C)ccc2n1C 187575476 HSSXILRHOYXXLL-ZIAGYGMSSA-N 271.408 3.572 30 20 CHED C[C@@H](CN[C@H]1CCC[C@H](C#N)C1)Cc1cccs1 185848459 BVLWNOOBEZEGPV-RDBSUJKOSA-N 262.422 3.599 30 20 CHED C=C(C)COCCNC(=O)[C@H](c1ccccc1)[C@@H](C)CC 126079454 XKORWKKWDVRVAV-RDJZCZTQSA-N 289.419 3.525 30 20 CHED CCN(CC)Cc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 185785318 USVNPJLEWHBFIF-LPHOPBHVSA-N 299.462 3.700 30 20 CHED CC[C@@H](CN(CCC#N)Cc1cccnc1)c1ccccc1 505863467 DHEMFLXFQNJASD-SFHVURJKSA-N 293.414 3.991 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1cc(C#N)ccc1F 120147701 AMGGDEZMTXXNHA-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C[C@H](Sc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1 509678798 MDOSGQTZWSKIMY-ZDUSSCGKSA-N 296.395 3.702 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F 127968945 UNBLGAANXPUWAH-BONVTDFDSA-N 294.301 3.534 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CC[C@@H](C)SC 412838746 KKYQZXRSQFSDRP-GDBMZVCRSA-N 291.460 3.822 30 20 CHED CC#CCCCC(=O)OCc1coc(-c2ccccc2)n1 185254746 BGFRJHBRMMGBNX-UHFFFAOYSA-N 283.327 3.578 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](CC)CSC 181089846 LQGDELZVULNGGA-OLZOCXBDSA-N 272.458 3.514 30 20 CHED Cc1ccc(CNc2ccccc2O[C@@H](C)C#N)s1 181130141 KNKCOCCOHHSBFI-NSHDSACASA-N 272.373 3.960 30 20 CHED CCc1cccc(C(=O)Nc2sc(C)c(CC)c2C#N)n1 410435308 PTQQVXAHVCTJPS-UHFFFAOYSA-N 299.399 3.700 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 500680024 PFOINKRQZJZQKZ-UHFFFAOYSA-N 284.746 3.878 30 20 CHED N#Cc1ccc(CSCC2CC(F)(F)C2)c(F)c1 419513955 NFTJQEMMOPNJBB-UHFFFAOYSA-N 271.307 3.976 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(C)C)cc1 187767517 DOJAVTSBRBMXSQ-KRWDZBQOSA-N 275.392 3.977 30 20 CHED C=CC[C@H](C(=O)N(CC)Cc1ccccn1)c1ccccc1 188491680 JHYBGXJTAIEHBA-SFHVURJKSA-N 294.398 3.790 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C#N)cc1 72692996 AFVCQGKQROHMST-UHFFFAOYSA-N 269.392 3.710 30 20 CHED CCS[C@H]1CCCCN(CCC(C)(C)C#N)C1 131566807 ABFBXERBCIZBHL-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED CC#CCCCC(=O)Nc1ccc(Cl)c(F)c1 185177513 NNNIGJLOGMIEQB-UHFFFAOYSA-N 253.704 3.611 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(OCC)c(OC)c1 509027073 BUUMRCWSUCIHOD-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1CCC[C@H]1C 185998017 OPBURPZRIZKKLO-RDBSUJKOSA-N 286.375 3.742 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 410636499 AITZOAFHGWPVEB-DJSGYFEHSA-N 290.794 3.847 30 20 CHED CCCSCC(=O)Nc1ccc(C(C)(C)C#N)cc1 194129992 YXHBEMKXOHLLHW-UHFFFAOYSA-N 276.405 3.569 30 20 CHED C=CCOc1cccc(CN[C@H](C)[C@@](C)(OC)C2CC2)c1 414495830 CHRUBYNLSCQTTM-RDTXWAMCSA-N 289.419 3.545 30 20 CHED CCN(CCC#N)[C@@H](C)c1ccc(F)c(Cl)c1 81040321 XMOHDHVHBULBOU-JTQLQIEISA-N 254.736 3.776 30 20 CHED N#Cc1ccc(CNc2nc3cc(Cl)ccc3o2)cc1 134426876 VAVCLJPMUFJOPY-UHFFFAOYSA-N 283.718 3.965 30 20 CHED C[C@H](CC#N)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 194630951 TYCUHAJGGVHTEZ-GHMZBOCLSA-N 298.308 3.617 30 20 CHED COCc1ccc([C@H]2CCCN2CC(C)(C)CCC#N)o1 137084126 RNLYJXCADNQMFD-OAHLLOKOSA-N 290.407 3.893 30 20 CHED C[C@H]1CN(Cc2cc(C#N)ccc2F)[C@@H]1c1ccccc1 81573194 ATTZRAPHAGZPSE-UGSOOPFHSA-N 280.346 3.890 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 49371836 QPXHSNCYJHODFK-KRXBUXKQSA-N 288.730 3.950 30 20 CHED Cc1cccc(-c2nc(C)c(/C(O)=N/CC3CCC3)[nH]2)c1 328783969 GPROFNQNVRPMKG-UHFFFAOYSA-N 283.375 3.798 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2C=CCC2)n1 80455228 JDRDOWLOFASHKU-VXGBXAGGSA-N 274.389 3.799 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C 511156818 BIBXTKKVKJVEFL-MJBXVCDLSA-N 251.414 3.777 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1C=CCCC1 425136406 WUYVWILNTYBEMC-HUUCEWRRSA-N 282.387 3.824 30 20 CHED Cc1ccc(NC(=O)N2CCc3ccc(C#N)cc32)cc1C 426081909 YELJFKCARCULQH-UHFFFAOYSA-N 291.354 3.770 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccc(Cl)c(F)c1 176876289 WGOQWSNNMBJSCA-UHFFFAOYSA-N 295.745 3.637 30 20 CHED C[C@H](/N=C(/O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccnc1 329785347 WVJSSESCYHMBPP-TTZDDIAXSA-N 287.407 3.615 30 20 CHED C=CCCC1(c2nc(-c3ccc(C)c(C)n3)no2)CC1 420509613 FLSYVUJXWLFLQZ-UHFFFAOYSA-N 269.348 3.746 30 20 CHED C[C@H]1CCCc2ccccc2[C@H]1NCc1cc(C#N)n(C)c1 191602301 PRAAHEKROMGXCN-LIRRHRJNSA-N 293.414 3.700 30 20 CHED N#Cc1csc(/C=C/C(=O)c2cc(F)cc(F)c2)c1 88305077 VTNXKWJFBFQXFH-OWOJBTEDSA-N 275.279 3.794 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S 48402733 SHMBFXISTXGROW-KPKJPENVSA-N 293.388 3.603 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 190552920 ZQRFPTYXQAQBKF-UHFFFAOYSA-N 290.363 3.756 30 20 CHED N#Cc1csc(C(=O)Oc2ccc(C(F)(F)F)cc2)c1 83938024 IIYAOWLJOQQFJA-UHFFFAOYSA-N 297.257 3.858 30 20 CHED C=C(C)[C@@H](CC(=O)N1c2ccccc2CC[C@@H]1C)OCC 339588529 ANLOACNCDHRAKG-WMLDXEAASA-N 287.403 3.726 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1C(C)(C)C 337850170 FNZBSCYGGSDAHD-HNNXBMFYSA-N 270.376 3.517 30 20 CHED Cc1cc(Cl)ccc1C(=O)N(C1CC1)C1(C#N)CCC1 336314898 LPROOGITDIMXIV-UHFFFAOYSA-N 288.778 3.699 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)s1 335771619 COKWXWLWCFMCSO-MRXNPFEDSA-N 286.400 3.582 30 20 CHED C=C(Br)CNC1(c2ccccc2)CCC1 178498010 BYWKDWWUWSFTDP-UHFFFAOYSA-N 266.182 3.564 30 20 CHED CS[C@H]1CCC[C@@H](NC2CCC(C)(C#N)CC2)C1 336225913 CEXFHODDDQLCSB-FUUBYGMNSA-N 266.454 3.723 30 20 CHED CC(C)CCN(C/C=C/c1ccccc1)CCC#N 513727836 APGBZRFTZDGDLY-UXBLZVDNSA-N 256.393 3.962 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)Cc1c(F)cccc1F 339598992 VRYGBRUBUPQLBR-UHFFFAOYSA-N 290.288 3.608 30 20 CHED COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccccc1 96503730 SSCWRHWOQOBLJF-KTKRTIGZSA-N 298.338 3.609 30 20 CHED N#Cc1ccc2nc(N3CCC4(CCCC4)C3)ccc2c1 92917975 MOXCMHMOGMIGEJ-UHFFFAOYSA-N 277.371 3.877 30 20 CHED C=CCC[C@H](C)NC[C@H]1CCCN1C1CCCCC1 436289184 MEACUJSBFKVAND-DOTOQJQBSA-N 264.457 3.728 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCC(C#N)CC1 335878567 BUSAHHLZXRCJNG-GOEBONIOSA-N 296.414 3.738 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1Cc1cc(C#N)cs1 93689774 PQLIFJWARZENRP-GUYCJALGSA-N 282.412 3.998 30 20 CHED CCc1oc2ccccc2c1CNCC1(CC#N)CC1 430023903 RGQUUSAXHGCZPI-UHFFFAOYSA-N 268.360 3.779 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)c1cc(C#N)oc1C 436166564 CWSSQXJWDPEFHH-CYBMUJFWSA-N 274.364 3.645 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](C)c1nc2ccccc2s1 246027264 OYSOAEBEPCAOGD-OLZOCXBDSA-N 290.432 3.616 30 20 CHED C=CCCOCC(=O)Nc1ccc(OCCC(C)C)cc1 608613281 YIKGCNWFYVKLEE-UHFFFAOYSA-N 291.391 3.643 30 20 CHED Cc1cccc(CN(CC(C)C)c2ncccc2C#N)c1 520153026 BEQYUXXKMXMIMQ-UHFFFAOYSA-N 279.387 3.924 30 20 CHED CC(C)(CCC#N)CNc1c(F)cc([N+](=O)[O-])cc1F 340892407 IHUMEYQBHJUZKP-UHFFFAOYSA-N 283.278 3.615 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2cc(C#N)ccn2)C1 342422020 YMZLMVZOQJVWBY-GOEBONIOSA-N 277.371 3.644 30 20 CHED CN(CCCCC#N)C[C@H]1CCCO[C@@H]1c1ccccc1 608832768 TXPGDUTVUQVXDW-QZTJIDSGSA-N 286.419 3.780 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2ccnc(OC)c2)cc1 342292303 GBQKMLXZSKAJBG-CQSZACIVSA-N 298.386 3.506 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@](C)(CC)C2)cc1 344336210 MOWFRRYRNDQFGH-KRWDZBQOSA-N 273.376 3.514 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc(C#N)s1 255201497 KTEWYMSEOVUPMB-UTCJRWHESA-N 271.316 3.963 30 20 CHED C=C(C)CCN[C@@H](CCc1ccccc1)C(F)F 449477849 QGMRWKVSTPLPTB-AWEZNQCLSA-N 253.336 3.809 30 20 CHED C=CCC[C@H](CCC)NCc1nnc(C(C)C)s1 358268718 SMLYTYJOGREEQZ-LBPRGKRZSA-N 267.442 3.886 30 20 CHED COc1cccc([C@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)c1 357330861 PABRSLAGRVGXRK-NSHDSACASA-N 297.314 3.648 30 20 CHED Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)c(F)c1 601118384 MEJGVDDHQNTPOB-GOSISDBHSA-N 280.346 3.783 30 20 CHED Cc1ncsc1CN(Cc1ccc(C#N)cc1)CC(C)C 350627803 GFJCECABPDJHAS-UHFFFAOYSA-N 299.443 3.981 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCOc3c(CC)cccc32)CCC1 359529291 VJDPDOPKUWFCFT-MRXNPFEDSA-N 299.414 3.935 30 20 CHED CCCN(C)c1ccccc1NC(=O)c1ccc(C#N)s1 600759360 CXNCYPUCTHDIMR-UHFFFAOYSA-N 299.399 3.718 30 20 CHED N#Cc1ccccc1CN[C@@H](c1cccs1)C1CC1 538264778 XQMLLKXMKUXOHJ-MRXNPFEDSA-N 268.385 3.861 30 20 CHED C=CCCCC(=O)NCC1(Cc2ccc(F)cc2)CC1 538895922 RJOIOFTUEFHHFA-UHFFFAOYSA-N 275.367 3.621 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@@H](C)C1 354098784 ZZHXFHHOWQLJTE-CHWSQXEVSA-N 285.391 3.755 30 20 CHED C=CCCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 264622335 QYBCJKJIVSYTBV-UHFFFAOYSA-N 294.738 3.526 30 20 CHED C=C(C)COc1cccc(N[C@@H]2C[C@@H](C)O[C@H]2C)c1 449056215 ZKTKVISTCMIYQZ-DVOMOZLQSA-N 261.365 3.619 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SC[C@@H]1CCOC1 265096361 PZXLHDSTVPYCCR-CYBMUJFWSA-N 296.395 3.749 30 20 CHED CCC(C)(C)c1ccc(Nc2ccc(C#N)nn2)cc1 619161597 MEIHGCHQGCNYBA-UHFFFAOYSA-N 266.348 3.779 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@H](C)c1ccco1 350652016 GLGRIXNHLXBQEA-CHWSQXEVSA-N 288.395 3.768 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3c(F)cccc32)cc1 449352100 SJTSMKULOOHRSM-SFHVURJKSA-N 280.346 3.865 30 20 CHED CCCCCN(CCCCC)c1ccc(C#N)nn1 611239856 JFLKVSYKUCFEBJ-UHFFFAOYSA-N 260.385 3.535 30 20 CHED CC1(CNC(=O)Nc2cccc(CC#N)c2)CCCCC1 455907079 OTWJJCHUGPUBKH-UHFFFAOYSA-N 285.391 3.845 30 20 CHED CCCN(CC)CCN[C@H]1CCCCc2cc(C#N)ccc21 360655897 FJRWXMPWQSVUAG-IBGZPJMESA-N 299.462 3.647 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCSC1 360656135 GDWVCFVXKOGXPS-RDJZCZTQSA-N 286.444 3.811 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)[nH]c1C)c1cc(C)ccc1C 530095433 HOKUBBVOIKJZSA-QGZVFWFLSA-N 295.386 3.693 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(C#N)c(Cl)c1 619764119 KKUJDQWQSKVWFC-UHFFFAOYSA-N 288.778 3.596 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)CCCC1 619111377 VUDGBVCQXFFLNA-CABCVRRESA-N 279.424 3.587 30 20 CHED C=C(C)CN(CC)C(=O)NCCC(C)(C)c1ccccc1 619677978 XIHGZYKXXJIGDH-UHFFFAOYSA-N 288.435 3.962 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)Nc1ccc(CC#N)cc1 454342268 JPOBZCBPUKNCPL-NVXWUHKLSA-N 285.391 3.699 30 20 CHED Cc1cc(CSCc2nccs2)ccc1C#N 362468124 UQSCRZDZZGRXEW-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)C(C)(C)C 619846019 PNQKLWTYSXJYLK-MLGOLLRUSA-N 256.393 3.817 30 20 CHED C=CCC1(NC(=O)c2ccn(C(CC)CC)n2)CCCC1 619108468 XEFNCBGGAVZSGW-UHFFFAOYSA-N 289.423 3.863 30 20 CHED CC(C)(CC#N)CNCc1cccc(-c2ccccn2)c1 459733640 QWQRWRALFLSLJV-UHFFFAOYSA-N 279.387 3.778 30 20 CHED C=CCC1(NC(=O)CCCCC(C)(C)C)CCOCC1 618251069 ZZIOKVDZUPWJEB-UHFFFAOYSA-N 281.440 3.834 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H](C)c2ncc(C)s2)c1 273354015 VRHJOJLOVLLRSX-SNVBAGLBSA-N 299.399 3.741 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cscn1)c1ccccc1 271549186 RWIYIPVWEYDNSL-GXTWGEPZSA-N 256.374 3.558 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C)c2ccccc21 450841150 AZMUTUKJMIEWRQ-UNEWFSDZSA-N 285.387 3.508 30 20 CHED N#Cc1ccc(OCCCc2ccsc2)c(F)c1 542089090 YRSDOYLZJQHWHG-UHFFFAOYSA-N 261.321 3.770 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(F)c(N2CCOC2=O)c1 279654695 FLQFEAMRUQUUNI-RYUDHWBXSA-N 292.354 3.795 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)N(C)CC(C)(C)C#N)CC1 458643361 LNVZLHAEEFZXKT-GJZGRUSLSA-N 293.455 3.782 30 20 CHED N#CC[C@@H](CC(=O)Nc1sccc1C#N)c1ccccc1 361444808 XGVZTCOZIXDMFC-ZDUSSCGKSA-N 295.367 3.646 30 20 CHED Cc1ccc2c(CC(=O)NCC(C)(C)CC#N)coc2c1C 457983829 BPBAKWDLOLRDJT-UHFFFAOYSA-N 298.386 3.648 30 20 CHED Cc1ccc(F)c(-c2noc(C3(C#N)CCCC3)n2)c1 278140311 LFTPJAYGMNNUOT-UHFFFAOYSA-N 271.295 3.520 30 20 CHED C=CCCOCC(=O)N1CCCCC[C@H]1c1ccccc1 620224262 NFHGPEMEPDJVTE-KRWDZBQOSA-N 287.403 3.723 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@@]1(C)c1ccccc1 450171744 IXNFVIKMATVQLS-LPHOPBHVSA-N 290.366 3.783 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 456281053 NQIXTDLKSWSPNL-SJLPKXTDSA-N 297.398 3.512 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)c2c(C)cccc2C)CC1 544869986 AHSQCLKKLUAVDX-OAHLLOKOSA-N 286.419 3.972 30 20 CHED N#CCC1CCN(CCOc2ccc3ccccc3c2)CC1 541020809 QIVQFCVUCXODFD-UHFFFAOYSA-N 294.398 3.844 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1ccc(C#N)cc1[N+](=O)[O-] 546181691 AUGBBEZSURHGEI-VIFPVBQESA-N 287.241 3.609 30 20 CHED C=C(C)CCNC(=O)[C@@H](CC)Oc1ccccc1Cl 452717570 MAFDSCSUGPRUTP-CYBMUJFWSA-N 281.783 3.580 30 20 CHED N#CC1(CN[C@@H](Cc2ccccc2)c2cccs2)CC1 544412271 KFSABLQLRRVHNW-HNNXBMFYSA-N 282.412 3.925 30 20 CHED C[C@@H](C#N)CN[C@H](C)CCc1ccc(C(F)(F)F)cc1 549378228 NZLMAQYCGVSNML-NWDGAFQWSA-N 284.325 3.776 30 20 CHED C=C1CCN(C(=O)CCc2ccc(Cl)c(F)c2)CC1 625288163 ZWSUHMUHXGQTAE-UHFFFAOYSA-N 281.758 3.590 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 464396222 IDTDLWWTWDWFLQ-LNLATYFQSA-N 297.185 3.720 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cc(C)on1 378441726 AONOFJNMHNYCLU-IUODEOHRSA-N 291.395 3.574 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1C)C(C)(C)C 622945688 NYMWPQMRLLSVCE-JKSUJKDBSA-N 271.404 3.912 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C 467015552 SAMPNCXTEZVWGY-LSDHHAIUSA-N 266.429 3.809 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cc2cc(C)c(C)cc2o1 540398030 ZOLFMCILIHRUKC-LSDHHAIUSA-N 287.403 3.885 30 20 CHED C=C(CNCc1cc(C)ccc1OC)c1ccccc1 620756680 MJPZPEPWSJWTSP-UHFFFAOYSA-N 267.372 3.807 30 20 CHED CSCC(C)(C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 281940159 PHOFPOVOJPEZAL-NSHDSACASA-N 277.389 3.552 30 20 CHED C=C[C@@H](CC(=O)Nc1nc(C2CC2)c[nH]1)c1ccccc1 289500593 ZBSXIMAATJCPOY-LBPRGKRZSA-N 281.359 3.586 30 20 CHED C[C@@H]1CCC[C@H](CCNC(=O)[C@H](C)c2cccc(C#N)c2)C1 462086100 WDEYBIVRTGXRIK-BZUAXINKSA-N 298.430 3.994 30 20 CHED C[C@@H](C[S@@](=O)CCCC(C)(C)C#N)c1ccccc1 280061198 STEOIKLHSDHCQQ-LIRRHRJNSA-N 277.433 3.869 30 20 CHED C=CCc1cc(CN[C@H](CC)CC=C)cc(OC)c1O 466403665 HCFRIAUZJYVZJK-OAHLLOKOSA-N 275.392 3.574 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C1CC1)C(F)(F)F)c1ccccc1 288705328 XEMYDILZQIAKMQ-NHYWBVRUSA-N 297.320 3.803 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@@H](SCC)C1 466367222 RFLDZTJQTBKILG-UONOGXRCSA-N 284.469 3.658 30 20 CHED N#CC1CCC(CNc2ncnc3cccc(F)c23)CC1 281679115 QRHYVAZPCCVSNC-UHFFFAOYSA-N 284.338 3.511 30 20 CHED Cc1ocnc1-c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 289070538 IVTVYLQXELMLRP-UHFFFAOYSA-N 294.314 3.501 30 20 CHED C=C(CC)CN1CCC[C@H]1c1ccc(Br)cn1 555509937 BDLNEKXFYREMCK-AWEZNQCLSA-N 295.224 3.947 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCC[C@@H](C)c1ccccc1 280779334 PPSLSHYCHRLSOZ-NJAFHUGGSA-N 273.420 3.751 30 20 CHED CCO[C@H]1CC(=NNc2ccc(Cl)cc2)[C@H]1SC 807942284 NVSNSXCUYRFPQD-QWHCGFSZSA-N 284.812 3.648 30 20 CHED CCC[C@H](C)N(C)C(=O)Nc1cc(C#N)ccc1C 299444164 UEUVGCLLYLAGSX-LBPRGKRZSA-N 259.353 3.519 30 20 CHED C[C@H](CCc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 559073791 IRFNXFFOUMYCRE-GFCCVEGCSA-N 296.336 3.920 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(C)cc1SC 295097610 JYGPCCYFHBGPMJ-UHFFFAOYSA-N 263.406 3.545 30 20 CHED CC(C)(CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 292780338 LTCYBQKFUSXSSK-UHFFFAOYSA-N 296.414 3.876 30 20 CHED CCC1(CC)[C@@H](NC2(c3cccc(C#N)c3)CC2)C[C@@H]1OC 556603378 JAYXCZHVYFVJNY-IRXDYDNUSA-N 298.430 3.731 30 20 CHED C=CCC[C@H](CC)Nc1cc(Cl)cc(C(N)=O)c1OC 551817080 ICZVEMRQGKJXOO-NSHDSACASA-N 296.798 3.604 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)Cc2nc(Cl)ccc21 806580072 ZVEKNVAZQJMQLA-UITAMQMPSA-N 291.684 3.836 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1cccc(F)c1 807993975 JSRFYAYHRFIWQX-UHFFFAOYSA-N 284.338 3.719 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1cccc(OC(F)F)c1 299697106 OMAWZGUQHIVUQO-WDEREUQCSA-N 268.307 3.631 30 20 CHED CCCCCCCCC(=O)NCc1csc(COC)n1 290966217 SJDXURMPROLFKB-UHFFFAOYSA-N 298.452 3.656 30 20 CHED Cc1cc(C)cc(CCC(=O)N2CCC(CCC#N)CC2)c1 569343388 ATSUADAQVQDBML-UHFFFAOYSA-N 298.430 3.778 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)c1ccc(C#N)c([N+](=O)[O-])c1 562233092 JPWAYUCXYXQWFQ-LLVKDONJSA-N 299.305 3.803 30 20 CHED CCCCN(C(=O)c1ccc(C#N)c(C)n1)C1CCCCC1 298370087 UXDUGDYUKFBQDU-UHFFFAOYSA-N 299.418 3.837 30 20 CHED C=C(C)COC(=O)c1c(C)nc2ccccc2c1C 804808873 MHTIFHGEYGZQHU-UHFFFAOYSA-N 255.317 3.585 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCC1CCC1 486911035 MWYTYBDCWYZFLB-UHFFFAOYSA-N 271.404 3.824 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1ccc(Cl)s1 811666419 CNOIIDXBJGLNEJ-LLVKDONJSA-N 294.807 3.793 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H](C)CC(F)F)cc1 563359154 HQUDBQOOTOWEQI-SMDDNHRTSA-N 294.345 3.563 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=NNc3cncnc3)c2c1 811647943 GYUPMNIKEWEQFY-UHFFFAOYSA-N 293.374 3.701 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cnc2cnccn12 812233263 UAWHMGKAJMVYTG-UHFFFAOYSA-N 293.374 3.607 30 20 CHED C=C(Br)COc1c(C=O)ccc2ccccc12 814780747 HQPCLMIUKQACSI-UHFFFAOYSA-N 291.144 3.940 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(Cl)c(C)c1 815901757 CLPMRUIJVADXSC-UHFFFAOYSA-N 260.667 3.765 30 20 CHED Cc1nc(Cl)cc(NN=C2CS[C@@H](C(C)(C)C)C2)n1 814855040 DUBNJCKCJUFBQQ-SNVBAGLBSA-N 298.843 3.758 30 20 CHED Cc1cc(CN[C@@H]2CCCO[C@H]2CC(C)C)ccc1C#N 488078736 RJFMTFJWHAEBNX-MSOLQXFVSA-N 286.419 3.550 30 20 CHED C/C(=C/c1ccc(C)cc1)C(=O)OC1(CC#N)CCC1 810857308 OOXYFKCSJSJCNJ-OWBHPGMISA-N 269.344 3.778 30 20 CHED Fc1ccc2ccc(C=NOCCC3CC3)nc2c1F 814941217 QZNXOYIYMAZJBW-UHFFFAOYSA-N 276.286 3.664 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)NCCc1cccc(C#N)c1 576604392 RYCHFWLZFSBMPK-QGZVFWFLSA-N 298.430 3.823 30 20 CHED Cc1ccc([C@@H]2CCCN2c2ccc(C#N)c(C)n2)s1 488081877 CPARAQFKFHIBNS-AWEZNQCLSA-N 283.400 3.973 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1 489910393 XJKLDKJEWUUTCL-LBPRGKRZSA-N 295.810 3.826 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1Cc1ccccc1 488575548 LGEXBEMKZAUUKR-QGZVFWFLSA-N 294.398 3.521 30 20 CHED C=CCN(CC=C)C(=S)Nc1ccc(C#N)c(Cl)c1 726435620 UDWHCMKYYDVXGQ-UHFFFAOYSA-N 291.807 3.582 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1cccc(C#N)n1 810705358 JJSCJYFVYBECAS-XPKDYRNWSA-N 286.375 3.571 30 20 CHED C=C(C)CNC(=S)NC(C)(C)Cc1ccccc1Cl 728448638 YBRJIASSQSROQU-UHFFFAOYSA-N 296.867 3.701 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 489766138 LHISFYNTYJYXFE-ZIAGYGMSSA-N 293.357 3.787 30 20 CHED C[C@@H]1CCCC(=NN[C@H](C)COc2ccccc2)C1 811668108 KRNBJFQMMAUTLL-ZIAGYGMSSA-N 260.381 3.610 30 20 CHED C=CCOc1ccc(/C=C\c2ncccc2C#N)cc1OC 486077595 NTSRZZSSQLZTTC-VURMDHGXSA-N 292.338 3.697 30 20 CHED N#CC1(CNCc2cc(Cl)cc(C(F)(F)F)c2)CC1 571835654 FULLUUIZODDNFQ-UHFFFAOYSA-N 288.700 3.752 30 20 CHED Cc1cccnc1NN=Cc1cscc1C(F)(F)F 811649423 MKRYUHHIYAQHFX-UHFFFAOYSA-N 285.294 3.916 30 20 CHED N#Cc1cc(N2CCC[C@@H]2CCC2CCCCC2)ncn1 573637956 MAXQLCDUXXBNTB-MRXNPFEDSA-N 284.407 3.678 30 20 CHED C=CCn1cccc1C(=O)N(C)CCC1CCCCC1 488974443 AXDZTQRNNJCSDE-UHFFFAOYSA-N 274.408 3.717 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1ccc(Cl)s1 728615893 YVFRYFOOZFGHIA-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C=CC[C@H](CO)CN[C@H](CSc1ccccc1)C(C)C 495065694 KIUQOTNJYCZGEB-DOTOQJQBSA-N 293.476 3.578 30 20 CHED CC[C@H](NC1Cc2ccccc2C1)c1ccc(C#N)cc1 575949943 KXODWOMSDHFKJP-IBGZPJMESA-N 276.383 3.766 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(C)ccc1C(F)(F)F 825447299 UCAVQNBGKRWTKV-UHFFFAOYSA-N 292.688 3.888 30 20 CHED CC(C)(C)[C@@H](NCc1ccc(C#N)cn1)c1cccc(F)c1 574980938 IGQHDOYJDLTBIF-KRWDZBQOSA-N 297.377 3.969 30 20 CHED N#CCC[C@H](C#N)CN[C@H](CC1CCC1)c1ccccc1 573834933 IDUSCKLBOJICBN-SJLPKXTDSA-N 281.403 3.951 30 20 CHED C=CCCCCCN(C)c1nnc(C2CC2)n1C1CC1 571931522 SZAZACGLCHYWOB-UHFFFAOYSA-N 274.412 3.673 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1ccc(OC)cc1C 664459272 SFFIXTRFQXUUSF-UHFFFAOYSA-N 290.407 3.548 30 20 CHED CC#CCCNC(=O)Nc1cc(Cl)ccc1SCC 497646882 MULABXDIZVPJHB-UHFFFAOYSA-N 296.823 3.987 30 20 CHED CC#CCCNC(=O)Nc1ccc2ccn(CCC)c2c1 497655507 DOJDQXWANOAJKF-UHFFFAOYSA-N 283.375 3.586 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(C)c(N2CCNC2=O)c1 494475203 LXKWYLUMMXHQPB-TZMCWYRMSA-N 287.407 3.537 30 20 CHED N#Cc1c(NC(=O)CCCC2CC2)sc2c1CCC2 589742561 OQCIUOMDQAVUNQ-UHFFFAOYSA-N 274.389 3.627 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(F)cc1 664468721 AUMMEVOJRFQPPY-UHFFFAOYSA-N 250.317 3.692 30 20 CHED CC[C@@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 902999393 ODWLWBPFQWJEQU-WQANXHIZSA-N 298.430 3.540 30 20 CHED COc1ccc2oc([C@H](C)NCC(C)(C)C#N)c(C)c2c1 903100750 WWPFAKFWRUXYGH-LBPRGKRZSA-N 286.375 3.950 30 20 CHED CC(C)C[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)CCO1 584868915 OYWOKTRXLFNYLE-LMMKCTJWSA-N 298.430 3.729 30 20 CHED C=CC[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 735076230 KOFRYNUGNXBVFD-MRVPVSSYSA-N 263.322 3.581 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](CCC)c1ccccn1 663994317 ODFYNSFXKHFZHU-OAHLLOKOSA-N 289.423 3.967 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 589514757 KQRCMFPVYLYFIQ-WFASDCNBSA-N 294.320 3.951 30 20 CHED CC(C)N(CCC#N)Cc1cscc1Br 589160120 VGFNQYSLRDZITI-UHFFFAOYSA-N 287.226 3.635 30 20 CHED CCCc1ccc(/C=C2/C(=O)c3nccn3[C@H]2C)s1 901565747 NWIKFJUAEDAJAK-YWEFTTLKSA-N 272.373 3.738 30 20 CHED CC[C@@H](N[C@@H](C)C(F)(F)F)c1cccc(C#N)c1 902995230 XFOLVTALVKMLPX-JOYOIKCWSA-N 256.271 3.550 30 20 CHED C=CCC1(NCCC(=O)Nc2ccc(F)cc2)CCCC1 661847685 CUCCZNZKAWPMNH-UHFFFAOYSA-N 290.382 3.633 30 20 CHED C=CC[C@@H]1CCCN(c2cc(C(F)F)nc(SC)n2)C1 664254873 GUUVNGYUIPCDMW-SNVBAGLBSA-N 299.390 3.929 30 20 CHED C=CCCc1noc(-c2cc(C(F)(F)F)ccc2NC)n1 664898497 VXEALTZEDZSCNK-UHFFFAOYSA-N 297.280 3.916 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NCC1(C#N)CC1)CCCO2 903106367 OPUIUVYWLWJRRY-INIZCTEOSA-N 284.403 3.917 30 20 CHED Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H](C)C#N 736668886 KEPMERHMFKJBGM-CYBMUJFWSA-N 264.328 3.760 30 20 CHED CCCC(CCC)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839057685 UIFWIMWZAJXLNN-TZMCWYRMSA-N 251.370 3.828 30 20 CHED C=CCCC[C@@H](NCc1ccc(C(C)C)cc1)C(=O)O 900067869 RBUSRUSJGUJDER-MRXNPFEDSA-N 275.392 3.709 30 20 CHED Cc1ccc(COC(=O)[C@]2(C#N)CC23CCCC3)cc1F 839324379 FSDAWNXOTPZVOZ-QGZVFWFLSA-N 287.334 3.651 30 20 CHED C/C=C/C(=O)Nc1ccccc1S[C@@H](C)CC#N 731333161 XKPXZMAAFFPFTN-GQOHGMTASA-N 260.362 3.595 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)C1CCC1)c1ccccc1 677587622 CFRJVOLOBZRXSI-KGLIPLIRSA-N 257.377 3.651 30 20 CHED CC[C@H](C)[C@@H](C=NNc1ccc(F)cc1C)OC 834965661 GIPUXXFUCGDTRP-IINYFYTJSA-N 252.333 3.593 30 20 CHED C=CCCCCN[C@@H](C)c1cnc(OC)c(Cl)c1 583372488 FUABSGHZSMOWCO-NSHDSACASA-N 268.788 3.751 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc2c(c1)C(=O)NCC2 679147246 CMGGVMCBVKUEJV-CQSZACIVSA-N 272.392 3.519 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CSc3ccccc32)c1 735414889 MVECHABXERBYEH-IREQLNLFSA-N 285.368 3.667 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc(C)c1 916268890 DCSMJRXDABDDPL-UHFFFAOYSA-N 269.304 3.739 30 20 CHED C=CCC1(C(=O)OCCc2c(C)noc2C)CCCCC1 838153133 CEANJIXESBVNHX-UHFFFAOYSA-N 291.391 3.904 30 20 CHED C#CCC[C@H](C)OC(=O)C[C@@H](C=C)c1ccccc1 839037064 LSHPFSBAXYQPOV-LSDHHAIUSA-N 256.345 3.691 30 20 CHED CCCCCCCC(=O)OCc1cn2ccccc2n1 919222128 IYXIXOVJRXINOB-UHFFFAOYSA-N 274.364 3.738 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(C)c1 839045183 YIPPHXQFFIFEIC-KBPBESRZSA-N 257.333 3.543 30 20 CHED CC(C)[C@@H](F)C(=O)Nc1scc(C(C)(C)C)c1C#N 839368464 CZIZHZVVTDYWIZ-LLVKDONJSA-N 282.384 3.850 30 20 CHED Cc1ccc(N(C)[C@H]2CCCN([C@@H](C)CCC#N)C2)cc1 839552209 ZWYFWZVRLWXNHN-WMZOPIPTSA-N 285.435 3.588 30 20 CHED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc[nH]1 916545391 HDSUBZYYXXUMGC-UHFFFAOYSA-N 282.372 3.974 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1cccc(O)c1 916155469 HBVFJNXBDATZOS-FPLPWBNLSA-N 260.239 3.567 30 20 CHED CCOC(=O)c1cccc(SCC2(CC#N)CC2)c1 594900414 NVMAFAOWBXZHTK-UHFFFAOYSA-N 275.373 3.649 30 20 CHED Cc1cc(C=NNc2ccccc2[N+](=O)[O-])c(C)n1C1CC1 916249305 AMMJAGQKOYIULP-UHFFFAOYSA-N 298.346 3.794 30 20 CHED N#CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 592651134 SCTPVHJYMVKCQK-HUBLWGQQSA-N 288.778 3.633 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(Cl)cn2CC)C1 912387545 DUHAPFGUEVKPLY-LBPRGKRZSA-N 280.799 3.590 30 20 CHED CC(=NNc1ncccc1Cl)c1cccc(F)c1 917549554 SRCRNHQDACNXPT-UHFFFAOYSA-N 263.703 3.710 30 20 CHED COc1cccc(O)c1/C=N\CC1(c2ccc(F)cc2)CC1 915982886 GQDOKHHAKSFTPB-JAIQZWGSSA-N 299.345 3.691 30 20 CHED C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(OCC#N)cc1 840874687 AZZUIPJKOVUOAG-DAXOMENPSA-N 276.355 3.520 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1ccccc1CO 596643333 XLBFYKFLRFKNLF-UHFFFAOYSA-N 281.355 3.699 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C1CC1)[C@H](C)C#N 598138090 QUDNQAIRUVRXDC-RBSFLKMASA-N 296.414 3.879 30 20 CHED CCC(C)(C)COC(=O)c1cc2ccccc2n1CC#N 744327792 AFBLPUPRITZKKW-UHFFFAOYSA-N 284.359 3.758 30 20 CHED Oc1ccccc1C=Nc1ccc(-c2cnc[nH]2)cc1 743334364 VSSKVHXSPMMFQZ-UHFFFAOYSA-N 263.300 3.533 30 20 CHED N#C[C@]1(C(=O)NCCCCc2ccccc2)CC12CCCC2 590619204 XLCYNXBLANCMGE-IBGZPJMESA-N 296.414 3.600 30 20 CHED C=CCCSCCNC(=O)N(CC)C1CCCCC1 596721060 CXODCSIESQXLJR-UHFFFAOYSA-N 284.469 3.660 30 20 CHED C#CCOc1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1 741533720 IQMATXZZTWPAJS-UHFFFAOYSA-N 297.398 3.636 30 20 CHED C[C@H](OC(=O)c1cc(C#N)c[nH]1)c1cccc2ccccc12 748224952 DVVAWJLJIPIVLP-LBPRGKRZSA-N 290.322 3.958 30 20 CHED C=CCCC1(c2nc(-c3ccc(O)c(C)c3)no2)CC1 685373345 MAIYXKCIPMMRIJ-UHFFFAOYSA-N 270.332 3.748 30 20 CHED CC(C)(C#N)c1ccccc1Cn1ccnc1C(F)(F)F 919918756 RKERGQBITCBWHI-UHFFFAOYSA-N 293.292 3.751 30 20 CHED Cc1cc(NN=Cc2ccc(C(F)(F)F)cc2)nc(C)n1 915971018 YHQSZDFODWNQRV-UHFFFAOYSA-N 294.280 3.558 30 20 CHED N#CC[C@H]1CCCN(CCSc2ccccc2F)C1 595611569 LIDGYGDPWMKYGR-CYBMUJFWSA-N 278.396 3.543 30 20 CHED Cc1cccc2c1C(=NNc1oc(C(C)C)nc1C#N)CC2 841621850 OCWWREPJWSYCFF-UHFFFAOYSA-N 294.358 3.741 30 20 CHED CO[C@@H]1C[C@H](/N=C\c2c(O)ccc3ccccc23)C12CCC2 840710604 KTGGGSIRJCJXBZ-UFZGOCBLSA-N 295.382 3.922 30 20 CHED C=CCCCCC(C)=NNc1ncc(Br)cn1 848420281 VOXHRDASLHIVSL-UHFFFAOYSA-N 297.200 3.773 30 20 CHED Clc1cccc([C@H]2CCC(=NN[C@H]3CCCOC3)C2)c1 841637839 LANQKVGWWSSOIV-BBRMVZONSA-N 292.810 3.732 30 20 CHED C[C@@H]1C[C@H](NCc2cccc(-c3ccc(C#N)s3)c2)CO1 842682677 JHMUBTLXDSGARS-DOMZBBRYSA-N 298.411 3.554 30 20 CHED C#CCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCC1 743690015 MCVRXBJKRPRZCK-UHFFFAOYSA-N 294.398 3.505 30 20 CHED CCCCCCCC[S@](=O)Cc1conc1CC 846767212 OMLXRQZNCDDCJD-SFHVURJKSA-N 271.426 3.846 30 20 CHED Cc1cc(C#N)ccc1NC[C@H](c1ccsc1)N(C)C 846746142 RMSMPHBYAUNBRD-MRXNPFEDSA-N 285.416 3.643 30 20 CHED C[C@H](NC(=O)NC[C@@H](C)C(C)(C)C)c1cccc(C#N)c1 743612362 JFMQZWZADCQCEM-OLZOCXBDSA-N 287.407 3.601 30 20 CHED C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1ccccc1 758691313 WIHKCNGYAOAHOO-CYBMUJFWSA-N 265.312 3.671 30 20 CHED C[C@H](C(=O)OCc1cccc(C#N)c1F)c1ccccc1 751974201 OXWBXLXPOKADOT-LBPRGKRZSA-N 283.302 3.544 30 20 CHED C#CC[C@@H](NC(=O)N(C)CC1CCCCC1)c1ccccc1 757058306 QFWIKTZDRMMKFB-GOSISDBHSA-N 298.430 3.973 30 20 CHED C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)C1CCC1 755390642 PWQWZRRMYCBFPF-VIFPVBQESA-N 293.823 3.687 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCc1cscn1 851141947 FBJLPXAXFZWUSH-OCCSQVGLSA-N 279.405 3.754 30 20 CHED Cc1cc(C)c(/C=C\C(=O)O[C@@H](C#N)C(C)C)cc1C 751160682 IEMYROKAELPWHZ-WLMCBFPDSA-N 271.360 3.716 30 20 CHED O=C1/C(=C\c2cccc(F)c2)COc2c(F)cccc21 921265995 HGVAGAUVUMDPNN-XFFZJAGNSA-N 272.250 3.624 30 20 CHED Clc1ccccc1[C@H]1CCCC1=NNC1CCOCC1 758124496 LZWNQKACDRFTQF-CQSZACIVSA-N 292.810 3.732 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C[C@@H](C)c1cnn(C)c1 851141621 BUWNVCXWVLYRGN-IIAWOOMASA-N 290.407 3.592 30 20 CHED C=C1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 759148168 OUFHIZGYVNYLCC-CQSZACIVSA-N 286.202 3.679 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(Nc2ccccc2)c1 753421792 IFEJTVLRSQKQCU-INIZCTEOSA-N 280.327 3.889 30 20 CHED Fc1ccc(/C=C\C=NNc2ccc(Cl)nn2)c(F)c1 758068714 RWSDOAVVQVMZLD-YNXSOUFHSA-N 294.692 3.519 30 20 CHED C[C@@H]1CCCCN1N=Cc1ccc(Br)s1 853379829 KSAOZDDXSCSWAS-SECBINFHSA-N 287.226 3.719 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1occ2c1CCOC2 851143595 MQTWCCCRKYFCTO-SWLSCSKDSA-N 290.359 3.644 30 20 CHED N#Cc1cc(COC(=O)c2cc3ccccc3[nH]2)ccc1F 758909697 JMZSUSJBZDEDJA-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C=C[C@@H](CC(=O)OCC(=O)CC(C)C)c1ccccc1 758913597 KJXSHRNKMYGKFV-AWEZNQCLSA-N 274.360 3.505 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](CC)c1cccc(Cl)c1 753084521 PTYKCMVNPFMYPW-KGLIPLIRSA-N 278.783 3.502 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1CCCOc2ccccc21 931362250 HWRBRSMSIDSSNH-ZFWWWQNUSA-N 273.376 3.619 30 20 CHED Cc1ccc(CN(Cc2cccc(C#N)c2)C2CC2)o1 51965973 JUMFMALBZGSFNM-UHFFFAOYSA-N 266.344 3.624 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC=C(c3c[nH]c4ccccc34)CC2)C1 933818364 IGZRKMZKPYAIHL-GDBMZVCRSA-N 291.398 3.949 30 20 CHED CCC1(C(=O)OCCC(C)(C)C#N)CCCCC1 764674276 RBLVQPJXOMOSOU-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C#CCCc1noc(C[C@H](C)c2ccc(CC)cc2)n1 762013933 MPOFHCATSNNIMH-ZDUSSCGKSA-N 268.360 3.544 30 20 CHED Cn1cc(C=NNc2ccccc2)c(-c2cccs2)n1 769566493 IPCPSESPBPEVOG-UHFFFAOYSA-N 282.372 3.595 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 860500080 DRUNZLVTCLPVRL-NSHDSACASA-N 290.319 3.529 30 20 CHED N#Cc1c(F)ccc(/C=C2/Oc3ccccc3C2=O)c1Cl 761479830 ODIKCWFWUGJDBD-VGOFMYFVSA-N 299.688 3.967 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(Cl)nc2Cl)c1 60098605 FNUGBXPOQRMTQJ-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#CC1(CCCCN2CC[C@H](c3ccncc3)C2)CCC1 930516093 ISBOMJMYUAKVPW-KRWDZBQOSA-N 283.419 3.735 30 20 CHED C=C[C@H](CC)CC(=O)NCc1cccc(OCC(F)F)c1 931560076 MVIQLBORNSVPEN-GFCCVEGCSA-N 297.345 3.549 30 20 CHED C[C@@H]1CC(=NNc2ncc(F)cn2)C[C@H](c2ccccc2)C1 760264330 AVLWLUNYJPIMTK-GXTWGEPZSA-N 298.365 3.987 30 20 CHED CC(C)C#CC(=O)Nc1cccc(NC2CCCC2)c1 869364206 VIPXJYAFZLJKFX-UHFFFAOYSA-N 270.376 3.639 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)OCC1(C#N)CCC1 768079541 WCTXYLGGRNLVBF-ZDUSSCGKSA-N 263.381 3.830 30 20 CHED CCC[C@H](C)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 768337090 ALVSCVJYRZNBCJ-KBPBESRZSA-N 260.381 3.598 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNCC(F)(F)F 769825363 RZLKBJILSBAPKR-LLVKDONJSA-N 250.308 3.897 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)CC#Cc1ccccc1 1116270404 RSSPIIIGFDSOLY-MRXNPFEDSA-N 269.388 3.513 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(F)cc1 764432551 DIGYORRBMAEXAY-SREVYHEPSA-N 262.305 3.792 30 20 CHED CC(C)(CC#N)COC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 764842889 KBPGGUHFTDYLOK-QFBILLFUSA-N 297.398 3.764 30 20 CHED C=C[C@H](CC(=O)OCc1cnoc1C1CC1)c1ccccc1 773544523 IAIBMNLKENAMKJ-CYBMUJFWSA-N 297.354 3.955 30 20 CHED CC(CCc1cncc2ccccc12)=NNCC(F)(F)F 872367556 YPSLEWRWCYMQAF-UHFFFAOYSA-N 295.308 3.695 30 20 CHED C=CCSc1ccccc1C(=O)Nc1ccc(F)nc1 776873732 FLYBVBGYUNGMNQ-UHFFFAOYSA-N 288.347 3.751 30 20 CHED N#CCc1ccc(COC(=O)CSc2ccccc2)cc1 776216423 RUOATMPPHSARRD-UHFFFAOYSA-N 297.379 3.588 30 20 CHED N#Cc1cccc(-c2nnc(-c3ccc(Cl)o3)o2)c1 1117261293 OSILIDLXSCIENI-UHFFFAOYSA-N 271.663 3.522 30 20 CHED C#C[C@@H](C)NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 775375438 PETRUPUHVFCYER-CYBMUJFWSA-N 289.806 3.680 30 20 CHED Cc1ccc(/C=C2/C(=O)Nc3cc(C#N)ccc32)cc1C 773160016 KKELPAHWCAWMMI-LZYBPNLTSA-N 274.323 3.668 30 20 CHED C#CCOc1ccccc1NCC1=Cc2ccccc2OC1 775360077 DIUFBJYWOKTBHF-UHFFFAOYSA-N 291.350 3.587 30 20 CHED CCc1cnccc1C(=O)/C=C\c1nc(Cl)cs1 776191196 FXWBBBWOTAJGEI-ARJAWSKDSA-N 278.764 3.650 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1nc(Cl)cs1 773123103 DPKOAZUEFHWFGZ-VIFPVBQESA-N 271.817 3.689 30 20 CHED C=CC(C)(C)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 1122986517 BFCQLHXNDYYRFW-LLVKDONJSA-N 274.389 3.799 30 20 CHED C[C@@H]1CC(=NNc2cc(Cl)ccn2)C[C@@H](C)C1 777906409 AGGVZPMPTFXJSP-UWVGGRQHSA-N 251.761 3.959 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](C(F)(F)F)C2)CCCC1 888023297 RPOKTPINTJIKBT-LLVKDONJSA-N 275.314 3.534 30 20 CHED Cc1ccc(F)cc1/C=C1/Cc2c(O)cccc2C1=O 777915679 PMIPCVKEYQOXIL-GHXNOFRVSA-N 268.287 3.662 30 20 CHED CC(C)C(=NNc1cc(Cl)nc(N)n1)C1CCCCC1 778546853 QSQCDXNRGVTIHV-UHFFFAOYSA-N 295.818 3.716 30 20 CHED CCCCCCCC(=O)N1CC[C@H](C(F)(F)F)C1 888004195 KHPSLJWXBZNLFW-NSHDSACASA-N 265.319 3.758 30 20 CHED CCCCc1ccc(C(C)=NNC[C@H](C)C#N)cc1 771107266 LLKKVENSPYJYGG-CYBMUJFWSA-N 257.381 3.502 30 20 CHED Cc1cc(OCC(=O)OCCC(C)(C)C#N)ccc1Cl 776356507 GMXKHKKLHFRNDU-UHFFFAOYSA-N 295.766 3.510 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCC1CC1 1559555128 RVPCACYGCQKKRW-ROUUACIJSA-N 268.404 3.948 30 20 CHED COc1cc(NN=C(C)c2ccco2)ccc1Cl 788472176 PDHLCDRWVBTXES-UHFFFAOYSA-N 264.712 3.778 30 20 CHED CC[C@@H](C#N)OC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 781127305 YPDYITZMJSEQIZ-YSXDYPPWSA-N 275.392 3.828 30 20 CHED CCC[C@@H](C)C(CC)=NN[C@H]1CCOC(C)(C)C1 780253537 WVZMUTZTQHAPQY-OLZOCXBDSA-N 254.418 3.736 30 20 CHED N#Cc1ccnc(SCc2nc(Cl)ccc2Cl)c1 785040200 RZXWONPAXNWAHY-UHFFFAOYSA-N 296.182 3.947 30 20 CHED CCCCCCCCOC(=O)c1cc(C)nnc1C 786015114 JMYMEYBGZJLYJD-UHFFFAOYSA-N 264.369 3.611 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H]2CCCC[C@H]2C)o1 783838317 WONIXEKFSUFTHW-VXGBXAGGSA-N 274.368 3.894 30 20 CHED CCSc1cc(Cl)ccc1C(=O)O[C@@H](C#N)CC 781208323 GYJUXBFVICXSMX-SNVBAGLBSA-N 283.780 3.911 30 20 CHED CO[C@H](C(C)=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1 782099008 XGJAQLXXWSDDCQ-MRXNPFEDSA-N 299.330 3.770 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(OC)cc(OC)c1Cl 891603297 XGEFWXDFQGTCQA-UHFFFAOYSA-N 297.782 3.898 30 20 CHED Cc1ccc(CC(=NNCCc2ccccn2)C2CC2)cc1 789113202 RPICBVYIKQWNHM-UHFFFAOYSA-N 293.414 3.531 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1coc(C)n1 788939745 NFGDINYJXLVGND-UHFFFAOYSA-N 283.253 3.838 30 20 CHED C#Cc1cncc(-c2noc([C@H]3CCC(C)=C(C)C3)n2)c1 896554798 HWWYHYFTDYQGSJ-AWEZNQCLSA-N 279.343 3.717 30 20 CHED Cc1cccc(CN(C)Cc2cccc(C#N)c2)c1C 507215322 VHQCPWSOZQGEGS-UHFFFAOYSA-N 264.372 3.807 30 20 CHED C=CCC(F)(F)C(=O)N(CC(C)(C)C)c1ccccn1 891493549 UREUWJVXRWJDSX-UHFFFAOYSA-N 282.334 3.672 30 20 CHED C#Cc1ccc(C=NNc2ccc3ccccc3n2)cc1 792631712 LEHRUNJULAXDOX-UHFFFAOYSA-N 271.323 3.662 30 20 CHED N#Cc1ccc(N2CCC[C@H]2[C@@H]2CCCOC2)c(Cl)c1 894340434 GNEJSLBOAYGRKR-HIFRSBDPSA-N 290.794 3.607 30 20 CHED COc1ccccc1CON=Cc1ccc([C@H]2C[C@@H]2C)o1 799117960 QFLXVOLSKMKRLE-WFASDCNBSA-N 285.343 3.962 30 20 CHED C[C@]1(C=NNc2ccc(Cl)c(C(=O)O)c2)CCCS1 792872083 LGPADUVKBABDQI-CYBMUJFWSA-N 298.795 3.722 30 20 CHED COc1cc(CNCc2cccc(C#N)c2)ccc1Cl 703626426 PSBHLUAUVUHPBW-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C#CCCN1CCC(c2cccc(Br)c2)CC1 799199898 ORBYVQFOEKUMRW-UHFFFAOYSA-N 292.220 3.652 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](F)CC1CCCCC1 798550588 BUUSMNLQJPDNET-KGLIPLIRSA-N 255.377 3.766 30 20 CHED C=CC1CCN(c2ccc(C(=O)CC)cc2[N+](=O)[O-])CC1 795092228 CVXSHYUXFHDLMJ-UHFFFAOYSA-N 288.347 3.590 30 20 CHED CCc1cccc2c1OC/C(=C\c1ccccc1C#N)C2=O 794723365 FDQLHXVBZPDUFB-MHWRWJLKSA-N 289.334 3.779 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2ncncc2F)cc1 793211080 RVCMFSZTUMCHJZ-ZDUSSCGKSA-N 284.338 3.660 30 20 CHED COc1cccc(/C=N\CCCCc2ccccc2)c1O 798068550 PLDANVNUWBPRTG-RGEXLXHISA-N 283.371 3.843 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1C#N 799292854 CGVVZHHRGKARPJ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC[C@@H]2CCF)c1 794858507 LXXCCZIUODBQCU-SNVBAGLBSA-N 265.288 3.522 30 20 CHED N#Cc1ccc(F)c(COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 794734037 WNEGBPCCLNNBAH-UBHSHLNASA-N 287.334 3.567 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H]1/C=C\c1ccccc1)C(C)C 798556028 ZSTTWFFWLPWHJH-DHTNOJSISA-N 296.414 3.532 30 20 CHED CC[C@@H](C)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 790187330 FUTUCSQPWNZIQW-LLVKDONJSA-N 287.319 3.577 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCCC2)c1cccnc1 792858093 IBLZJLCGCOHSDW-NTMALXAHSA-N 263.340 3.857 30 20 CHED COc1ccccc1CON=Cc1ccc(C)c(C)c1 799118118 YDQDWZCKTMZDTB-UHFFFAOYSA-N 269.344 3.863 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc(C)c(-c2ccccc2)s1 795359789 FRFNEBKSVOBPCS-INIZCTEOSA-N 299.399 3.997 30 20 CHED Cc1ccc(C(=O)OCc2cc(F)ccc2F)cc1C#N 799548137 HIJPCAJEMFKDJS-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC1=C(C)C[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 584352048 DSQQBAVMDKQYOG-HUUCEWRRSA-N 274.408 3.664 30 20 CHED C#CCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1 730979479 VTZZNHQJGJYHDZ-UHFFFAOYSA-N 291.759 3.666 30 20 CHED CCC[C@H](CC)NC1CC(C#N)(c2ccccc2)C1 86037924 KYZRZJXNPQBWEV-GTPINHCMSA-N 256.393 3.779 30 20 CHED N#Cc1csc(CN[C@@H](c2ccccc2)C2CC2)c1 93492224 JWPAOGUOWJYHOH-INIZCTEOSA-N 268.385 3.861 30 20 CHED CC[C@H](C)Oc1cccc(N[C@H]2CCC[C@H](C#N)C2)n1 1308911991 LXRGXARAPMSMQV-IHRRRGAJSA-N 273.380 3.753 30 20 CHED N#Cc1nc(N2CC[C@@H]2c2cccc(F)c2)sc1Cl 1306977053 CCKCJJVQSHNIQR-LLVKDONJSA-N 293.754 3.759 30 20 CHED CCOc1ccc(SCc2cc(C#N)ccn2)cc1 1307279176 LXAJSOUNTUEMQX-UHFFFAOYSA-N 270.357 3.644 30 20 CHED CCO[C@@H]1C[C@@H](Nc2c(C#N)cccc2C#N)C1(CC)CC 1162644148 GAFLINQBBCODCW-HZPDHXFCSA-N 297.402 3.826 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@H]2CCCC[C@H]2C1 1231620034 OWHZAZGKOUDZLC-CVEARBPZSA-N 284.403 3.579 30 20 CHED COc1ccc(C)cc1CSc1ccnc(C#N)c1 1162805860 IKZUMJIDFPHNMS-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CC(CCc1ccc2c(c1)OCO2)=NOC(C)(C)C 1319685524 UZDXAYAMRXXNHK-UHFFFAOYSA-N 263.337 3.539 30 20 CHED C=C[C@H](COC)NC(=O)[C@H](CC1CCCCC1)C(C)C 1320442205 LJYSDDRFRAFHTE-HZPDHXFCSA-N 281.440 3.546 30 20 CHED CC[C@@H](c1ccccc1)c1nnc(C2(C#N)CCCC2)o1 1324205743 XITCWJNFPFVCNA-AWEZNQCLSA-N 281.359 3.947 30 20 CHED Fc1ccc(CCC=NNc2nc3ccccc3[nH]2)cc1 1321323132 AATJILGZTMBIIR-UHFFFAOYSA-N 282.322 3.733 30 20 CHED CC[C@H](C)c1nnc([C@@H](C)Cc2ccc(C#N)cc2)o1 1326985920 GWOLGZLZRPSFKZ-RYUDHWBXSA-N 269.348 3.801 30 20 CHED CCC(C)(CC)c1nnc(-c2ccc(C#N)cc2)o1 1325800624 ZYQUXNUWAPXGDV-UHFFFAOYSA-N 255.321 3.686 30 20 CHED Cc1c(C#N)cccc1C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 1321406414 TUONWEXFDTWVQA-ZBEGNZNMSA-N 294.354 3.513 30 20 CHED CC1CC(COc2nc(C(C)(C)C)ccc2C#N)C1 1652056258 VZRSIJDPEKMDMX-UHFFFAOYSA-N 258.365 3.676 30 20 CHED CC(C)(C)c1cc(Sc2ccc(C#N)cc2F)ncn1 1185414427 RDZWKWCOASEZOQ-UHFFFAOYSA-N 287.363 3.936 30 20 CHED Cc1cccnc1[C@@H](C)Nc1nc2c(cc1C#N)CCCC2 1336759159 KUPZCPSIKKCFGG-CYBMUJFWSA-N 292.386 3.709 30 20 CHED C=C(C)CCC(=O)N(CC)Cc1c(F)cccc1F 1262606269 IDIJQCYAPDIRHD-UHFFFAOYSA-N 267.319 3.670 30 20 CHED C#CCCOc1ccc(-c2nnc([C@H](C)CC)o2)cc1 1261575207 YZYRQXKRPLFHIX-GFCCVEGCSA-N 270.332 3.652 30 20 CHED Cc1coc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1 1343425435 XNTXEXOLTXHEMB-JTQLQIEISA-N 288.372 3.832 30 20 CHED CSc1cccc(NC(=O)c2cc(C#N)ccc2C)c1 1349565695 ZWDLRNKVPNIOMA-UHFFFAOYSA-N 282.368 3.841 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@H]1C(C)(C)C)c1ccccc1 1345780146 TYAWEZFNOGJBPZ-HOTGVXAUSA-N 284.403 3.581 30 20 CHED C[C@H](C(=O)N[C@H](C#N)C1CCCC1)c1ccc(Cl)cc1 1350857224 GWSSWCLXEOQJKY-XHDPSFHLSA-N 290.794 3.642 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1C)c1ccc(F)cc1 1520288284 IIPGVBZZHGDTMF-QGZVFWFLSA-N 296.345 3.887 30 20 CHED Cc1cc(F)ccc1COC(=O)c1ccc(C#N)cc1F 1520327331 SUCBXZXIMFFJJH-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC[C@H](C)[C@@H](C)N1CCCN(c2ccccc2C#N)CC1 1459434085 AIPBDIQCDKXRNL-JKSUJKDBSA-N 285.435 3.505 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C(C)C)on1 1526797925 CWRVTTIGPIWILO-GFCCVEGCSA-N 277.368 3.761 30 20 CHED C=C(C)CCC(=O)O[C@@H](C)c1sc(CCOC)nc1C 1525128552 FDTOTLYPVIZVFV-LBPRGKRZSA-N 297.420 3.601 30 20 CHED Cc1cccc2c1N(C(=O)Nc1cc(F)cc(C#N)c1)CC2 1467151804 PGMWDQZIPRNWPD-UHFFFAOYSA-N 295.317 3.600 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c1 1466839755 RXJMAFQMUKVDLR-DZGCQCFKSA-N 285.391 3.813 30 20 CHED Cc1cc(CN2CCc3c(C)cccc3C2)ccc1C#N 1474367035 LXGMWXPIVFNVLZ-UHFFFAOYSA-N 276.383 3.733 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 1530064550 JAUVXKPWYQAABO-MELADBBJSA-N 264.413 3.599 30 20 CHED Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 20134001 PRGMFGBXYSOFBK-AWEZNQCLSA-N 250.345 3.718 30 20 CHED CC(C)(C)C1CCC(Cn2ccc(C#N)cc2=O)CC1 1559440741 SHKWZQXFKDQERG-UHFFFAOYSA-N 272.392 3.572 30 20 CHED Cc1cc(C)c(/C=C\CN2CC[C@@](F)(C#N)C2)cc1C 1560757726 SUMILRLKBQSQHF-VGOKWCNXSA-N 272.367 3.563 30 20 CHED COc1cccc(CNc2snc(Cl)c2C#N)c1C 1640185906 SGFZJHNQLGDTBU-UHFFFAOYSA-N 293.779 3.597 30 20 CHED N#Cc1ccnc(SCc2nsc3ccccc23)c1 1656220482 NWXRFIGKHNZYRF-UHFFFAOYSA-N 283.381 3.855 30 20 CHED CC(C)(CN(CCC#N)Cc1ccco1)Oc1ccccc1 1659254982 QBKGFFULWAGUKB-UHFFFAOYSA-N 298.386 3.853 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@](C)(CC)OC 1659119833 RPKICDZSOSKDOL-KRWDZBQOSA-N 274.408 3.585 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CC[C@@H](C)[C@H]1CC 1749265671 WZURKXKTMVYULM-ZWNOBZJWSA-N 294.830 3.533 30 20 CHED Cc1ccc(CCCN2CCCC(C)(C)[C@@H]2C#N)cc1 1658543362 JZUCUXYZHMPAOA-KRWDZBQOSA-N 270.420 3.942 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1ccc(OC(F)F)cc1 5129288 GSKCRNCDVBKMQW-XCVCLJGOSA-N 290.265 3.890 30 20 CHED Cc1ccccc1COC(=O)N[C@@H](C)c1cccc(C#N)c1 1671462623 CGWZONOLFJOPLP-AWEZNQCLSA-N 294.354 3.854 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1sccc1C#N 1673279507 WPZPUHODOJGIAV-AWEZNQCLSA-N 297.383 3.737 30 20 CHED C=C(CNC(=O)NCc1c(C)cccc1C)c1ccccc1 1685819718 HLZZKTYZLUXZBL-UHFFFAOYSA-N 294.398 3.816 30 20 CHED O=C(O)c1ccc(C=NNc2ccc(Cl)cc2)cc1F 1776032777 RIDMRTHECXVVOR-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CC(C)CC(C)(C)C(=O)N[C@H](C#N)c1ccccc1F 161417337 OWGVTABZFRFURU-CQSZACIVSA-N 276.355 3.579 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@]1(C)CC 161698907 YUHHMHSMOIONEJ-AEFFLSMTSA-N 284.403 3.733 30 20 CHED CC(C)Cc1ccc(CNCC2(C#N)CCC2)cc1 258975065 UCJIOPKIUIQDCB-UHFFFAOYSA-N 256.393 3.669 30 20 CHED CN(Cc1cc(C#N)ccc1F)C[C@H]1C[C@H]2CC[C@H]1C2 249965736 FVUWWIZCLCXGAD-AEGPPILISA-N 272.367 3.565 30 20 CHED N#Cc1cccc(-c2nc([C@H]3CCC(F)(F)C3)no2)c1 281210829 BBKYXVQTOUBOCX-NSHDSACASA-N 275.258 3.511 30 20 CHED CCc1ccsc1C(=O)Nc1cc(C#N)ccc1C 49490164 BJQGMOCXUVHWMR-UHFFFAOYSA-N 270.357 3.743 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1 50266866 DNFIPEOJJVVROB-GOSISDBHSA-N 262.356 3.548 30 20 CHED CCCC1CCN(c2nc(C)cc(C)c2C#N)CC1 50906347 PXBBSJLSNACINL-UHFFFAOYSA-N 257.381 3.587 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1F)N(C)Cc1ccccc1 301285709 VFUFEZXJZYDTMN-AWEZNQCLSA-N 297.377 3.630 30 20 CHED CC(C)[C@@H]1CCCC[C@@H]1NCCc1cccc(C#N)c1 467451893 ZRLSVLMHZWYHHE-ROUUACIJSA-N 270.420 3.905 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 316234362 PKKOWZYHMUQJDZ-RRFJBIMHSA-N 276.424 3.649 30 20 CHED CCCCCCCNCc1c[nH]nc1-c1cccnc1 703709702 XWKVBGPYGPBPLF-UHFFFAOYSA-N 272.396 3.532 30 20 CHED C[C@H]1Cc2c(ncn2CCCCC(C)(C)C#N)C[C@H]1C 380688379 DUIUXNIPCOBBND-KGLIPLIRSA-N 273.424 3.974 30 20 CHED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCCC#N)cc1 496049427 RPNWVBCYJKSNLJ-GFCCVEGCSA-N 289.379 3.598 30 20 CHED CC[C@@]1(C)CCN(Cc2ccc(C#N)cc2Cl)C1 399449417 HULFSLVJMMVXNQ-HNNXBMFYSA-N 262.784 3.834 30 20 CHED CC[C@@H]1C[C@H](C)CN1c1nc(C)c(C#N)cc1Cl 399561694 LUYRXYQEJGMLMM-JOYOIKCWSA-N 263.772 3.540 30 20 CHED COc1cccc([C@@H]2CCCN2Cc2ccccc2C#N)c1 9903096 HATVINZIYFPQSK-IBGZPJMESA-N 292.382 3.904 30 20 CHED C=C(C)CN(CC)C(=O)/C=C/c1cnc(C(C)(C)C)s1 173424732 VHVHTTWOOJLRJZ-CMDGGOBGSA-N 292.448 3.878 30 20 CHED N#CCC1(COC(=O)c2ccc(SC(F)F)cc2)CC1 174733114 KNKWMDOJTMQAEC-UHFFFAOYSA-N 297.326 3.852 30 20 CHED Cc1[nH]c2ccc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)cc2c1C 179905303 RHRZDVITUVVHNT-TZMCWYRMSA-N 282.343 3.634 30 20 CHED C=CCCCC(=O)NCc1ccccc1COCCC 175353779 UKTZTQNZXYVAAP-UHFFFAOYSA-N 275.392 3.586 30 20 CHED CCN(C(=O)c1scnc1C)[C@H](C)c1ccc(C#N)cc1 55208311 OLBKLOSNJSHSSU-GFCCVEGCSA-N 299.399 3.547 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1ccc(C#N)cc1 176906313 ZRCRNZOHRNLUKG-IAGOWNOFSA-N 284.403 3.528 30 20 CHED CC(C)(NC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 103176255 BWRRAUYTHOYWBA-UHFFFAOYSA-N 297.333 3.754 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)/C=C(\C)c1ccccc1Cl 171381950 ZMMAKHFNXRHARP-OQZOHAQUSA-N 290.794 3.751 30 20 CHED N/C(=N/Cc1cccc(F)c1)Nc1cccc2c1CCCC2 304686440 QEGMXJBRDLNCBG-UHFFFAOYSA-N 297.377 3.631 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCCN(c2cccc(F)c2)C1 115961717 DFWVHJWQEXOPJL-DORSJAEJSA-N 298.361 3.619 30 20 CHED N/C(=N/[C@@H]1C[C@H]1c1cccc(Cl)c1)Nc1ccccc1 119934446 LNDHQJAQIAQYJA-LSDHHAIUSA-N 285.778 3.623 30 20 CHED COc1ccc(CNc2ccc3cc(C#N)ccc3n2)cc1 301833858 VEMKEROIDYBRNV-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C#N)cc1 115135292 GXBLGOVHCOZPGN-KSSFIOAISA-N 290.366 3.576 30 20 CHED C=CCNc1nn2cc(-c3ccc(Cl)cc3)nc2s1 302373714 AJXXBNJXJLGAGX-UHFFFAOYSA-N 290.779 3.709 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(Cl)cn1 123468685 JIBLOCPZKKXFOB-SNVBAGLBSA-N 267.760 3.601 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2C[C@H]3OCCC[C@@H]23)c1 302556885 LPPAWXAXJJSLNW-ZKYQVNSYSA-N 296.292 3.556 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC(C)(C)SC 174354165 BOQHWHMEDKWBGA-UHFFFAOYSA-N 298.477 3.587 30 20 CHED N#CCCCCN[C@@H]1CCCOc2cc3c(cc21)CCC3 179108805 JGGNQWYVYGMYRU-QGZVFWFLSA-N 284.403 3.672 30 20 CHED CN(CCCC(C)(C)C#N)Cc1ccc(F)c(F)c1 174816097 HYBCFTRWOZKPQG-UHFFFAOYSA-N 266.335 3.727 30 20 CHED CN(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1C#N 301982786 AMLDHXAHBRWRFH-UHFFFAOYSA-N 294.251 3.751 30 20 CHED Cc1cccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1F 122247372 LVGWLXBDMJHTKW-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1Nc1ccc(Cl)c(C#N)n1 302519921 YSUYYQUWUHZODC-OCCSQVGLSA-N 293.798 3.612 30 20 CHED COc1ccc(N/C(N)=N/C[C@@H](C)c2ccc(C)cc2)cc1 304765590 ZNEQJRJYJZPIEU-CQSZACIVSA-N 297.402 3.534 30 20 CHED C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccc(C#N)cc1 37749721 YIOOKJWIRCBTEV-SNVBAGLBSA-N 285.278 3.779 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccccc1Cl 127122786 MPVUSWIAVIUSPW-YGRLFVJLSA-N 296.823 3.629 30 20 CHED Cc1cccc(NCCSCc2ccccc2C#N)n1 184555600 DSHHPLFEUFJRDD-UHFFFAOYSA-N 283.400 3.607 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc(-c2ccccc2)cc1 71629313 XIQISPNWPMUBLJ-QGZVFWFLSA-N 278.355 3.632 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@H](C)CC1CCCC1 74398843 OATWHMAAMVJRTA-GFCCVEGCSA-N 287.359 3.689 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)CCc1ccccc1F 410141790 IOPCEWQFIQDHLU-DZGCQCFKSA-N 277.383 3.865 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 413476328 VEFZWLPMYKVGCO-SKWUIDRYSA-N 296.414 3.769 30 20 CHED CCc1cccc(CC)c1NC(=O)N(CCC#N)CC1CC1 78458322 HTAUEKNQXFCNPG-UHFFFAOYSA-N 299.418 3.969 30 20 CHED CC(C)c1cccc(NC(=O)Cc2ccc(C#N)cc2)c1 70158630 GYLDTDZOAZUOLF-UHFFFAOYSA-N 278.355 3.863 30 20 CHED Cc1ccc(N(C)C(=O)c2cccc(CC#N)c2)c(C)c1 79161560 KBMAJCBXZAAISE-UHFFFAOYSA-N 278.355 3.646 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@@H](C)CC 120251178 JRJQVONDHHOWPS-LSDHHAIUSA-N 299.418 3.690 30 20 CHED C=CCC[C@@H](C(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 188389419 PKQACYSURCOHLP-DOTOQJQBSA-N 284.403 3.745 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)NCCCCC#N)CC1 188522744 ASTNOIBQAHODTM-HUUCEWRRSA-N 293.455 3.974 30 20 CHED N#CC1(C(=O)Oc2cc(Cl)cc(Cl)c2)CCCC1 70811517 WSGFZYBOOFSHMR-UHFFFAOYSA-N 284.142 3.983 30 20 CHED CC[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@H]1CC1(C)C 416744870 YQLAKHUQCUOGDD-HZPDHXFCSA-N 299.418 3.524 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@@H](CC(C)C)C2)c1 72504317 DQTYVXHQJKCCKI-HNNXBMFYSA-N 270.376 3.568 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(F)cc2OCC(F)F)C1 185877345 SXOGUYVFMVAALU-ZYHUDNBSSA-N 298.308 3.964 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCOc1ccc(F)cc1F 410119027 CFWWSLJKNGVKHJ-CYBMUJFWSA-N 297.345 3.595 30 20 CHED C=CCC[C@H](NC(=O)CCCOCC)c1ccccc1 133982605 TXQGTJRGQODKQK-INIZCTEOSA-N 275.392 3.627 30 20 CHED C=C1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 500125296 PKYRSKAWIWSHFC-UHFFFAOYSA-N 287.403 3.794 30 20 CHED CC(C)(C)c1nc(CSCc2ccc(C#N)cc2)no1 48680659 WAIXVRYDDRETPA-UHFFFAOYSA-N 287.388 3.672 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(CC#N)C1CCCC1 413484319 SOXHFCCALNMPPG-HNNXBMFYSA-N 276.424 3.888 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)[C@H](C)C#N)CCCC2)cc1 410886070 YRDLJYISPVQYNX-OAHLLOKOSA-N 298.430 3.992 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccoc1C 414437141 HPGAXPPQROAGLD-UHFFFAOYSA-N 287.407 3.944 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H]1CCc2ccccc2C1 410127974 DZRUBJUCAQOZIX-WMLDXEAASA-N 271.404 3.653 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410964241 HJQCWHNHFKBGCW-WFASDCNBSA-N 276.767 3.781 30 20 CHED C#CCCOC(=O)c1ccc(C2SCCCS2)cc1 132131929 JWBNMTXBJUCDIR-UHFFFAOYSA-N 292.425 3.735 30 20 CHED CC[C@H](C#N)OC(=O)C[C@H](C)Cc1ccc(Cl)cc1 89240286 VVOCHRLGFZGXEC-BXUZGUMPSA-N 279.767 3.754 30 20 CHED CC1(/N=C(/O)CCc2cc3ccccc3o2)CCOCC1 328639699 CEUOSXRVNOFLGB-UHFFFAOYSA-N 287.359 3.891 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@H](C)CC1 194465485 KWXBSPMVYCNFRT-CQSZACIVSA-N 273.376 3.514 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(CC#N)cc1 192837133 XLQMRYAMYRHALR-CJNGLKHVSA-N 285.391 3.795 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1CCOC 190029030 NJZZEXIQVWPYDW-UHFFFAOYSA-N 273.376 3.582 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 424565433 HHACHOFCDVCATG-CAEXGNQWSA-N 261.409 3.530 30 20 CHED CCCCCOC1CN(c2c(C#N)cnc3ccccc23)C1 428161002 DRIAEFGTUGKMKW-UHFFFAOYSA-N 295.386 3.502 30 20 CHED CC(C)(C#N)C(=O)Oc1ccc(Cc2ccccc2)cc1 194645851 RHWIJAKBKZHMOD-UHFFFAOYSA-N 279.339 3.733 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(C#N)s1 519838080 IUEGSZNNWLTZQK-NEPJUHHUSA-N 290.432 3.907 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 135124315 XUSFSWOVRXGLOO-SFHVURJKSA-N 297.402 3.637 30 20 CHED C=C[C@@H](C)NC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 425474083 YDNCOHLTLODLQR-UKRRQHHQSA-N 272.392 3.744 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](CC)Cc1ccccc1 513390955 UWSGXQGVMRQPHQ-JKSUJKDBSA-N 274.408 3.662 30 20 CHED Cc1nccc(N=C(O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 328781469 FSJJVFZMARLIAW-HZSPNIEDSA-N 273.380 3.980 30 20 CHED C[C@@H](CC(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1 45243865 QKUBPQDAXKKXCG-HNNXBMFYSA-N 292.382 3.710 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(F)cc1F 45159159 YBLONDDOGQJGCX-UHFFFAOYSA-N 289.281 3.782 30 20 CHED C[C@@H](C(=O)NC1(C)CCCCC1)c1cccc(C#N)c1 336404473 CNSGUXUBDJCCAZ-CYBMUJFWSA-N 270.376 3.501 30 20 CHED CC[C@@H]1CCC[C@@H](/N=C(/O)c2cncnc2C(C)C)C1 330810032 JHIAQNGIMYFWFP-CHWSQXEVSA-N 275.396 3.873 30 20 CHED C=CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 428376350 FISLXBHFDLZJJK-UHFFFAOYSA-N 288.372 3.941 30 20 CHED C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)C1 336074834 NTZKXIGFURXQOU-CJNGLKHVSA-N 284.403 3.748 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)c2cnc(C(C)(C)C)s2)o1 330721836 XOERBZBLWXNLKW-VIFPVBQESA-N 293.392 3.803 30 20 CHED CC(C)c1ccc(/C(O)=N/[C@@H]2CCC[C@@H]2C#N)c(O)c1 331228489 FIBISWMMDSMYJJ-TZMCWYRMSA-N 272.348 3.512 30 20 CHED C=CCOCCSc1nc2ccccc2n1CC=C 516982923 VZRINQVTKSABNQ-UHFFFAOYSA-N 274.389 3.517 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@H](C)CC1CCCC1 510788930 WGRVVKRSWMCJFR-GFCCVEGCSA-N 286.375 3.722 30 20 CHED Cc1cc(C)c(C#N)c(NCc2c(F)cc(F)cc2F)n1 338793710 YHUWTYTYANWFSC-UHFFFAOYSA-N 291.276 3.600 30 20 CHED CCCc1noc2nc(CC)cc(/C(O)=N/C(C)(C)C)c12 330384670 RLMBFQXFIYVEPK-UHFFFAOYSA-N 289.379 3.841 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)[C@@]1(C#N)CC12CCCC2 516147005 ONZCDDXJOIYTIO-VKJFTORMSA-N 288.435 3.793 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1c1ncccc1C#N 420646031 VNFRETMWAJGXRA-MRXNPFEDSA-N 277.371 3.726 30 20 CHED N#Cc1ccncc1NCCNc1cccc2ccccc12 94132222 BATSLLJGNQBKLE-UHFFFAOYSA-N 288.354 3.630 30 20 CHED C=C(C)CNCc1ccc(OCc2ccccc2)c(OC)c1 237135966 ONADEQUUFFSBGA-UHFFFAOYSA-N 297.398 3.940 30 20 CHED CC[C@H]1CC[C@H](C)N1C(O)=Nc1cc(OC)ccc1OC 330625227 HHLQVALJVUOLEH-RYUDHWBXSA-N 292.379 3.512 30 20 CHED COC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 535600230 WDNAMNSESXYECF-UHFFFAOYSA-N 287.702 3.791 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@H](C)C1CCCCC1)OCC 512739040 QMMSGQPWWLLWOH-GDBMZVCRSA-N 281.440 3.785 30 20 CHED C=CCC[C@@H](NC(=O)c1cn(C(C)C)cn1)c1ccccc1 336973358 RWDCBLVGCYGSIG-MRXNPFEDSA-N 297.402 3.901 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(SC)c(F)c1 90451093 AYZAMCVGVNIJRG-GFCCVEGCSA-N 283.412 3.791 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2nccc(C#N)c2Cl)C1 235195089 ILXQVRWNKGSCFF-GHMZBOCLSA-N 281.812 3.693 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(Cl)c(C)c1 435731136 IJPRVTGVLBXGFW-ZBFHGGJFSA-N 279.811 3.719 30 20 CHED C=CCOCCCC(=O)Nc1ccc(-c2ccc[nH]2)cc1 342155647 BSUHXFQAEUVLDB-UHFFFAOYSA-N 284.359 3.603 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 437364771 NPRIYXAFPKYJTL-SQWLQELKSA-N 277.795 3.914 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)[C@@H](c2ccccc2)CO1 245409827 ODJUFPIJSGRQOB-NVXWUHKLSA-N 286.419 3.778 30 20 CHED CCC(F)(F)C(C)(C)CN[C@H]1CC[C@@H](CC#N)C1 527711625 GQFUXKJJOQKTEA-RYUDHWBXSA-N 258.356 3.730 30 20 CHED CC(C)(CNc1cccc(C#N)n1)c1ccc(Cl)cc1 524582550 MXNSJXWOFHJZBZ-UHFFFAOYSA-N 285.778 3.996 30 20 CHED N#Cc1cccc(C(=O)CSc2ccc(F)cc2F)c1 439050635 UNFKVLNCHZFRNE-UHFFFAOYSA-N 289.306 3.811 30 20 CHED C=CCOCCCN(C)Cc1c(F)cccc1Cl 347971737 YBMMEQJLSQMGBA-UHFFFAOYSA-N 271.763 3.504 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 604880546 XOENGHIVQXEKAF-KGLIPLIRSA-N 289.419 3.832 30 20 CHED CCc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 52201669 PUDMQPDKJYYDOR-AWEZNQCLSA-N 264.372 3.971 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H](CN2CCCC[C@H]2C)C1 602451012 NKWHXDAKRXAFPE-KZNAEPCWSA-N 291.483 3.513 30 20 CHED C[C@@H](Sc1ccc(C#N)cn1)c1cccc(F)c1 341031445 IBTYVPRFYRMQTK-SNVBAGLBSA-N 258.321 3.946 30 20 CHED CCN(Cc1c[nH]c2ccccc12)CC1(CC#N)CC1 602818705 WMYUECYCDGDDEE-UHFFFAOYSA-N 267.376 3.684 30 20 CHED C=CCCC(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 522535927 MYDUPTUKFVQSEY-CQSZACIVSA-N 289.419 3.834 30 20 CHED C=CCCCS[C@@H]1CCN(C2CCCCC2)C1=O 600621296 MFLMHUOEKXMOSP-CQSZACIVSA-N 267.438 3.619 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(C(F)(F)F)cn1 340600567 GHIHPIJDDJLUBU-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCCc1nc(C)c(NC(=O)c2ccccc2CC#N)s1 601466407 DVEHNWKJFDKZOU-UHFFFAOYSA-N 299.399 3.722 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(Cl)c1O 342980596 AEVMVNYJVJRBNS-UHFFFAOYSA-N 297.782 3.747 30 20 CHED CC(=O)N(Cc1ccc(NC[C@@H](C)CCC#N)cc1)C1CC1 602496138 BDUBZSJSQFAQFY-AWEZNQCLSA-N 299.418 3.549 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1ccc(O)c(F)c1 255144366 JKOIHVGBSPLIME-XQRVVYSFSA-N 260.239 3.567 30 20 CHED Oc1ccccc1/C=N\CCCOC1CCCCC1 255522926 TYCZKNYUFSMWGN-LGMDPLHJSA-N 261.365 3.551 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(SCC#N)c1 357165386 XUPBPNDDMJNVKG-OCCSQVGLSA-N 288.416 3.705 30 20 CHED CCC[C@@H](C#N)NC(=O)CCc1ccc2ccccc2c1 608816306 YVIMHIBZDGTZAU-KRWDZBQOSA-N 280.371 3.581 30 20 CHED N#Cc1ccc(SCc2noc(C3CCC3)n2)cc1 600520234 HNLMNUPHNDPDNM-UHFFFAOYSA-N 271.345 3.501 30 20 CHED CC(C)(C)OC(=O)CCSCc1ccc(F)c(C#N)c1 440589774 HZGRLQNNLPPZEO-UHFFFAOYSA-N 295.379 3.662 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@H]2C[C@@H]2c2cccnc2)n1 619856183 HSFRQWVYRXVSFQ-CABCVRRESA-N 292.386 3.614 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1cccnc1C#N 357461002 RVRULFGMZJQQNX-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 353352284 WDDQQCSLCRIDTL-MRXNPFEDSA-N 278.355 3.737 30 20 CHED C=CCCCC(=O)Nc1cc(C(C)(C)C)ccc1O 530643866 KVVNNRPOJHIYAU-UHFFFAOYSA-N 261.365 3.985 30 20 CHED CC(C)(C)c1cnc(CN2CCCC(C)(C)[C@H]2C#N)s1 448358176 BQULXUNGSCKVSZ-GFCCVEGCSA-N 291.464 3.955 30 20 CHED C=CCOc1ccccc1CN[C@H]1CC(C)(C)OC1(C)C 531714472 WOLRUKUIDRRFQB-INIZCTEOSA-N 289.419 3.687 30 20 CHED C=CCC1(C(=O)NCc2ccsc2)CCCCC1 448697350 CYENQKNHIBDMPQ-UHFFFAOYSA-N 263.406 3.891 30 20 CHED Cc1ccc(NC(=O)CC(C)(C)C#N)cc1OCC(F)F 352944451 XVKQNKDJDXZYSM-UHFFFAOYSA-N 296.317 3.517 30 20 CHED Cc1c(N[C@H]2CCc3ccc(C#N)cc32)cnn1CC(C)C 353682084 XDQQZZAPCOZDMF-KRWDZBQOSA-N 294.402 3.819 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)N[C@H](C)c1cccc(C#N)c1 610356438 SAVBGQMRGHMHCG-OLZOCXBDSA-N 297.358 3.615 30 20 CHED CCN(C(=O)c1cc(C#N)[nH]c1C)[C@H](C)c1ccc(F)cc1 448743854 KLQVGJXCANICBO-GFCCVEGCSA-N 299.349 3.557 30 20 CHED C=C(C)[C@H](CC(=O)N(C1CC1)[C@H](C)[C@H](C)CC)OCC 533707366 DEOHCCRWZPEXMD-FMKPAKJESA-N 281.440 3.783 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1 619365138 BQTBYHGWWVOAOD-ULQDDVLXSA-N 269.388 3.605 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn(CCC)c1C1CC1 452967932 TVNPGKCXYAGPKH-INIZCTEOSA-N 275.396 3.711 30 20 CHED C=C(C)CCNC(=O)N1CC(C)(C)[C@@H]1c1cccs1 455310012 CNXZWPCTSGTDAM-ZDUSSCGKSA-N 278.421 3.807 30 20 CHED COc1ccc([C@@H]2CCCN2C[C@H](C)CCC#N)cc1 618887017 FNTJRYHGWNSLCN-PBHICJAKSA-N 272.392 3.772 30 20 CHED Cc1cc(C)cc(OCCN(CCC#N)Cc2ccco2)c1 610675075 YGAFDFOQNDXXJA-UHFFFAOYSA-N 298.386 3.691 30 20 CHED C[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 610363297 JRZUJDHATKZPCT-OQUILHJVSA-N 282.387 3.562 30 20 CHED Cc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 360983507 BDOPJRXMOPYSEL-MOPGFXCFSA-N 291.398 3.662 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCc2cc(C#N)ccc21 618802252 DELQXEMIZHGTIR-DOTOQJQBSA-N 254.377 3.880 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C#N)cc1Cl 272548771 LXAHTGLPHOSMFO-UWVGGRQHSA-N 264.756 3.832 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(CC(F)(F)F)c1 276033165 DRKTXJPTFBVVON-UHFFFAOYSA-N 286.297 3.831 30 20 CHED C=C(CC)CN[C@H](COCC(C)C)c1ccco1 543485929 ODSRSNGRXYSHLG-CQSZACIVSA-N 251.370 3.549 30 20 CHED CCCCOc1ccc(CNCC(C)(C)CC#N)cc1 459687528 GTJYCISAARZSNT-UHFFFAOYSA-N 274.408 3.895 30 20 CHED CS[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C 544062843 LXEJQGPVIBOIOL-CYBMUJFWSA-N 293.392 3.656 30 20 CHED C=CCC[C@H](CC)N[C@H](Cc1nc(C)no1)c1ccccc1 277119865 NLNVSJBEWVECRT-DLBZAZTESA-N 299.418 3.996 30 20 CHED COC1(c2noc(/C=C/c3ccccc3C#N)n2)CCCC1 273901840 FMTSIRARHJCRGN-CMDGGOBGSA-N 295.342 3.527 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H]2CCC[C@@H]21)c1ccccc1 270497420 YFEHFNXYSCDOSH-SQNIBIBYSA-N 296.414 3.725 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)CCCC2=O 455712795 LDUWNFPQFNEXJH-CYBMUJFWSA-N 286.375 3.682 30 20 CHED CC(C)(C#N)NC(=O)CC1CCC(C(C)(C)C)CC1 543757979 BHLNZDLGMLBILO-UHFFFAOYSA-N 264.413 3.647 30 20 CHED N#CCc1ccc(NC(=O)Nc2cccc3cc[nH]c23)cc1 548153256 QCZJXSJFOXWPPN-UHFFFAOYSA-N 290.326 3.878 30 20 CHED N#Cc1sc(N[C@H]2CCOC3(CCCC3)C2)nc1Cl 278742182 RCFUNWDZXBGTHZ-VIFPVBQESA-N 297.811 3.572 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(OCC)cc1 272387194 CJNNHGOFDGYYHH-UHFFFAOYSA-N 299.370 3.549 30 20 CHED C[C@H](C(=O)NC[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 461921166 TYTPVLDSKRFKAZ-KEYYUXOJSA-N 284.403 3.604 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC1(c2ccc(F)cc2)CC1 540802858 UKSXWFWMFOWFJA-OAHLLOKOSA-N 290.382 3.511 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(N2CCCC2)c1 281384564 OPERBIHRMUMWHW-CQSZACIVSA-N 287.407 3.763 30 20 CHED C=CCN(C(=O)[C@@H]1CCCc2sccc21)C(C)(C)C 622944296 MLGLIANGJOSVRJ-CYBMUJFWSA-N 277.433 3.981 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 468902476 JYGIXFWXKHKGEO-GOSISDBHSA-N 298.430 3.506 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 281234915 FBSYIKNFUNEPRP-MRXNPFEDSA-N 297.402 3.587 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC/C(C)=C/c1ccccc1 280553064 FBNCFPACZJRZIN-BHDPTXKXSA-N 271.404 3.661 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3ccccc3)C2)C1 559254745 QJRWTTKIYCKADS-OIISXLGYSA-N 254.377 3.558 30 20 CHED C=C[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C 466831949 OVSTYSXERJEXHK-OFQRWUPVSA-N 272.392 3.539 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 281628628 XLMSZKQGAYFQEK-FRFSOERESA-N 275.367 3.790 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)c(COC)c2)CCC1 634479354 WVQIUXKTPCSFQT-UHFFFAOYSA-N 289.375 3.527 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(-c2cnc[nH]2)cc1 631437669 YVAPYSSRTHHXDX-UHFFFAOYSA-N 297.402 3.895 30 20 CHED N#CC1(C(=O)Nc2nc(-c3ccccc3F)co2)CCCC1 281189620 MDAOZNUHNJFAQF-UHFFFAOYSA-N 299.305 3.503 30 20 CHED CC[C@@H](CN(CC)C(=O)[C@](C)(C#N)CC)c1ccccc1 552444149 TZVAIIYHGNCVFL-YJBOKZPZSA-N 286.419 3.969 30 20 CHED CC(C)c1ccoc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 284161639 JXLAATOIJWPMBA-BLLLJJGKSA-N 274.364 3.605 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccsc2)cc1 282969613 LEUBVJRAOAFBJU-ZDUSSCGKSA-N 271.385 3.611 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 294553701 WBNAKLKKCVHSLV-ZFWWWQNUSA-N 256.349 3.517 30 20 CHED C=CCCc1ccccc1NC(=O)Cn1ccnc1C(C)C 635897652 RDQKWIOCORRZEP-UHFFFAOYSA-N 297.402 3.764 30 20 CHED C=CCC1(NCc2cnc(CCOC)s2)CCCCC1 631152734 RZISIIKIBBJORM-UHFFFAOYSA-N 294.464 3.701 30 20 CHED COc1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1 806577891 IANMJGCBDXWMSF-YRNVUSSQSA-N 285.730 3.566 30 20 CHED C#C[C@H](NCc1cc(-c2ccncc2)ccc1OC)C(C)C 809685596 DBQKBMITUHXWPW-SFHVURJKSA-N 294.398 3.505 30 20 CHED CC[C@@H]1CC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 558256658 UYOMXRFRSLFYSO-HIFRSBDPSA-N 281.321 3.835 30 20 CHED C=CCCCCCN(C)C(=O)CCc1cncc(C)c1 292831606 PCNXBWJCQADLQV-UHFFFAOYSA-N 274.408 3.527 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCOc1cccc2ccccc12 803782554 QWBMDOZXAJNRRY-SFHVURJKSA-N 297.354 3.702 30 20 CHED C=C(CNC(=O)c1sc(Cl)nc1C)c1ccccc1 807797119 AIVPLUNWFXWHNX-UHFFFAOYSA-N 292.791 3.548 30 20 CHED CC(C)Oc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 294958439 IDPWHMVMCQWEFC-ZIAGYGMSSA-N 258.365 3.968 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 568354719 QJVHKRDZCYGUMY-CJNGLKHVSA-N 288.366 3.899 30 20 CHED N#CCCNC[C@H](Cc1ccccc1)c1ccccc1 564445072 YDXIIRMCOIBVBA-SFHVURJKSA-N 264.372 3.516 30 20 CHED CCCCCCCCN[C@H](C)c1cc(C)n(C)n1 800480586 VWGYYHVQVKLBQJ-CQSZACIVSA-N 251.418 3.740 30 20 CHED C[C@@H](CCC#N)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 298513334 KUELSXXOMHUUOI-ZYSHUDEJSA-N 294.398 3.743 30 20 CHED Cc1c(C#N)c(SCOC2CCCC2)nc2c1CCC2 808017512 YJLPPURSWXNFHB-UHFFFAOYSA-N 288.416 3.759 30 20 CHED C=CCC1(C(=O)N2[C@H]3C=CC[C@H]2CC3)CCCCC1 649272978 DYRFZOVCIVCMTN-GJZGRUSLSA-N 259.393 3.833 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2c(s1)CCCC2(C)C 292002232 VJEBODDZDLQRHE-HNNXBMFYSA-N 291.420 3.635 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Cc1cncc2ccccc12 565088249 QMJASLRWJMRBAU-HNNXBMFYSA-N 296.414 3.886 30 20 CHED CC[C@H](C#N)N[C@@H](Cc1ccccc1)c1ccc(OC)cc1 290461644 FOHFWXSOEKHCLR-MJGOQNOKSA-N 294.398 3.871 30 20 CHED Cc1ccccc1NC(=O)CCSCC1(C#N)CCC1 561244024 PMFYZELOUVXEBK-UHFFFAOYSA-N 288.416 3.751 30 20 CHED CCCCOCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297758960 LTYWCJNBLOHZMK-UHFFFAOYSA-N 294.420 3.672 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@H](C2CC2)C1 808304376 SQQLMROFMMKCEA-MRXNPFEDSA-N 278.440 3.955 30 20 CHED Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCCC#N)cc1 291985118 VFOIAZDSNDKFMX-CRAIPNDOSA-N 284.403 3.989 30 20 CHED C=CCC[C@H](O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 563453364 CDPDPCLIGYUVQC-RDGPPVDQSA-N 285.431 3.724 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 293555341 FLWUVPHOBXSQQC-TZMCWYRMSA-N 279.330 3.808 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCc3ccccc32)CCC1 478970228 ZDDZNBORMUNGKB-MRXNPFEDSA-N 283.415 3.969 30 20 CHED C=CCn1c(C)nnc1N(C)c1ccc(C(C)C)cc1 567522933 FHEOVWUZNDIDQG-UHFFFAOYSA-N 270.380 3.664 30 20 CHED Cc1cc(SCc2cc(O)nc(C3CC3)n2)ccc1C#N 564083889 KIFUGOQFSHDGJK-UHFFFAOYSA-N 297.383 3.532 30 20 CHED CC(C)OC(=O)c1ccccc1Oc1ccccc1C#N 480457539 BKSWKXPPLDTJQA-UHFFFAOYSA-N 281.311 3.916 30 20 CHED CC[C@@H](CC(=O)Nc1cc(C#N)ccc1NC)C(C)C 560711037 MXHSOLLHUCMWLT-ZDUSSCGKSA-N 273.380 3.611 30 20 CHED C#C[C@H](NC(=O)CCCCC)c1ccc(Cl)cc1 811946756 JLIJGUPMDBCOIW-AWEZNQCLSA-N 263.768 3.711 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@H](C)CCCC)c1 811719706 OFGNDYGJMIOHJX-CYBMUJFWSA-N 274.433 3.875 30 20 CHED CCO[C@H]1CC(=NOCCOC(C)C)C12CCCCC2 812239034 LDMGHTJXAINWSC-HNNXBMFYSA-N 283.412 3.543 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(-c2cccc(F)c2F)o1 483285419 YKUMFTZSRGWEIJ-NSHDSACASA-N 290.313 3.816 30 20 CHED Cc1ccccc1OCCN(C)Cc1ccc(F)cc1C#N 489608818 YNINLXHTBZKCCR-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C=CCC(F)(F)C(=O)NCC(C)(C)C1CCCC1 815869068 INBVHJZESTWZBT-UHFFFAOYSA-N 259.340 3.530 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccnn1[C@@H](C)CC(C)C 481490342 JMNXADZYNOZXNE-AWEZNQCLSA-N 290.411 3.696 30 20 CHED C=CCC(F)(F)C(=O)OCC(=O)c1ccc(C(C)C)cc1 815313246 APMHYERXFVSLKZ-UHFFFAOYSA-N 296.313 3.747 30 20 CHED CC(=NOC/C=C/Cl)c1cc(Cl)ccc1O 811670240 NJYJAPAFDVNVLJ-MSVOIAIGSA-N 260.120 3.539 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(F)cc2C#N)[C@@H]1C 481181458 WDYZAQXLNIMFDF-HSMVNMDESA-N 260.356 3.612 30 20 CHED C[C@@H]1CCC(=NNCc2cnc3ccccc3c2)C1 814877178 RJMFKSVCUWGFQT-GFCCVEGCSA-N 253.349 3.500 30 20 CHED N#Cc1c(F)cccc1/C=C1/CCc2ccc(O)cc2C1=O 811691297 NIAIBSOWFRQVBM-JYRVWZFOSA-N 293.297 3.615 30 20 CHED Fc1cccc(NN=C2CC[C@@H](c3ccccc3)C2)n1 814929870 QQITVMOQTGCPON-CYBMUJFWSA-N 269.323 3.956 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2ccc(C#N)s2)c1C 487010255 GQXWRSDURYLAHQ-GFCCVEGCSA-N 284.384 3.728 30 20 CHED CC(C)(C)C1CCN(N=Cc2ncc(Cl)s2)CC1 814912922 DAONOWOIEBAWFV-UHFFFAOYSA-N 285.844 3.889 30 20 CHED C=CCN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C(C)C 728868915 UNEKSOSLDBVOMO-UHFFFAOYSA-N 276.767 3.858 30 20 CHED CSCCCC=NNc1cccc(C(F)(F)F)n1 814853833 XKHNDGJGZRZGRP-UHFFFAOYSA-N 277.315 3.641 30 20 CHED CC(C)(C/N=C/c1ccccc1O)c1ccc(F)cc1 728437682 GTDWTLMNHLTRGX-YBFXNURJSA-N 271.335 3.928 30 20 CHED C=CC[C@H]1CC[C@H](NC2(c3noc(C(F)F)n3)CCC2)C1 651815820 NZPULHNMFBPEIS-QWRGUYRKSA-N 297.349 3.721 30 20 CHED CC(C)C[C@H](C)CC(=O)OCc1ccc(C#N)cc1F 727881603 KKDORNXHMQSXEH-LBPRGKRZSA-N 277.339 3.813 30 20 CHED C=CCN(C(=O)N[C@H](CCC)c1ccccn1)C(C)C 729612170 AWLGDPKIEZDCJZ-OAHLLOKOSA-N 275.396 3.529 30 20 CHED O=C1/C(=C/c2cccc(O)c2)CCc2sccc21 726889424 CIIQJZYIPLDXHQ-DHZHZOJOSA-N 256.326 3.666 30 20 CHED C=C(C)C(C)(C)C(=O)OCC(=O)c1cc2ccccc2o1 821439527 IMSWEJUUQXJNJN-UHFFFAOYSA-N 286.327 3.761 30 20 CHED CC#CCCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 499035005 BLEXFSOXHVBVSO-ZIAGYGMSSA-N 296.197 3.627 30 20 CHED C#CCCOC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 727042295 ZATWGQMUIBYKMF-OAHLLOKOSA-N 295.382 3.894 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(F)cc1 491261676 VJVUOOIFZSGZOI-UHFFFAOYSA-N 259.324 3.649 30 20 CHED C=CCSCCNC(=O)/C=C(/C)c1ccccc1Cl 727377704 QDZXUSUWQSPXIY-QXMHVHEDSA-N 295.835 3.779 30 20 CHED Cc1cccc(C)c1NC(=O)CSCC1(C#N)CCC1 582895449 YIXGDQWXDFYLHG-UHFFFAOYSA-N 288.416 3.669 30 20 CHED CCCCCCCCCC(=O)NCc1ncc(Cl)n1C 726542257 WGLIMEYNMODOJK-UHFFFAOYSA-N 299.846 3.830 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1ccccc1C 497541559 YMANXIMCIPOYJZ-AWEZNQCLSA-N 275.417 3.676 30 20 CHED N#CCCCC(=O)Nc1ccc(F)cc1OC1CCCC1 589787095 FSRKSVIXXIBJJB-UHFFFAOYSA-N 290.338 3.779 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)cc1 497957844 ZIDQKYSNWSIWHT-JJRVBVJISA-N 287.403 3.806 30 20 CHED C=C(C)COC(=O)CCCCCc1cccs1 731525619 BQQRRWOWFOCOKA-UHFFFAOYSA-N 252.379 3.970 30 20 CHED N#Cc1cccc(COC(=O)C[C@H]2CCc3ccccc32)c1 734627381 PXJJFDSVZGWXLT-QGZVFWFLSA-N 291.350 3.722 30 20 CHED C=CC[C@H]1CCCN(Cc2cnc([C@H]3CCCO3)s2)C1 668493995 TXXPYBXYNYHYHY-DZGCQCFKSA-N 292.448 3.783 30 20 CHED C=CCNC(=O)[C@H](Oc1ccccc1CC)c1ccccc1 499515919 DGQRUOLVSDVYBT-GOSISDBHSA-N 295.382 3.671 30 20 CHED C=CCC1(CN[C@@H]2CC[C@@H](CC(=O)O)[C@H]2C)CCCC1 902267243 GCAKQMJXXNBJKM-QLFBSQMISA-N 279.424 3.602 30 20 CHED C=CCCCN(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 582610468 XRXDXZWPYSQNIL-INIZCTEOSA-N 292.492 3.776 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc2c(n1)CCC2 584098682 GKCGWXRUKKXODS-UHFFFAOYSA-N 285.435 3.722 30 20 CHED CC/C(C)=C/C(=O)[C@H](C#N)c1nc(C(C)C)cs1 835200638 NHIRTUQVPFOJLA-RUYJGKKWSA-N 262.378 3.799 30 20 CHED CC(=NOCc1ncc(C2CC2)o1)c1ccc(F)cc1 902856479 NIGARADHRCRHLB-UHFFFAOYSA-N 274.295 3.632 30 20 CHED CC(=NN[C@H]1CCOC1(C)C)C12CC3CC(CC(C3)C1)C2 835015444 QKBSNKSCJRQTTB-KUNBBXKYSA-N 290.451 3.736 30 20 CHED CCC(C[C@H](C)CC)=NNc1ccccc1S(C)(=O)=O 731932833 DEBPKJCIJPAILK-GFCCVEGCSA-N 296.436 3.704 30 20 CHED CCO[C@@H]1C[C@@H](NC(=O)CCCCCC#N)C1(CC)CC 588160917 VRPJHOOERRCMOM-HUUCEWRRSA-N 294.439 3.560 30 20 CHED C=CC[C@@H](NC(=O)C[C@H](C)CCC)c1ccncc1 734455694 KQKBCHWMOBEWAV-UKRRQHHQSA-N 260.381 3.641 30 20 CHED C=C[C@](C)(CC)COC(=O)c1cc(C)n(C(C)C)n1 835336928 MRDGJDSUWWYQCL-OAHLLOKOSA-N 264.369 3.532 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(O)cc1 731321551 KLIXMWXHUZLTBM-WTKPLQERSA-N 256.276 3.736 30 20 CHED C=CC[C@H]1N(Cc2cc(C(=O)O)oc2C)CCCC1(C)C 902545832 MOJPWLMWHSQDEC-OAHLLOKOSA-N 291.391 3.853 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(OC(F)F)cc2)C1 839044918 VQUALKZUVYMVBA-ZWNOBZJWSA-N 295.285 3.527 30 20 CHED CCCCC(COC)=NNc1cc([N+](=O)[O-])ccc1C 737434392 NJNSDNJWIFYONK-UHFFFAOYSA-N 279.340 3.508 30 20 CHED CCCCNN=C1CCCOc2c(Cl)cccc21 733747211 LRZKRHLWWWPAEB-UHFFFAOYSA-N 266.772 3.606 30 20 CHED CC1(C)OCC[C@H]1NN=C1CC[C@H](Cc2ccccc2)C1 835022265 YLKGBDNVLRHHME-NVXWUHKLSA-N 286.419 3.542 30 20 CHED Cc1coc(-c2ccc(C)c(NC(=O)C#CC(C)C)c2)n1 830132966 XTYSRBNQZVZPRV-UHFFFAOYSA-N 282.343 3.556 30 20 CHED C[C@@H](OC(=O)C(C)(C)C1CCC1)c1ccc(C#N)cc1 835203758 PIHIAWRLNZIDIW-GFCCVEGCSA-N 271.360 3.989 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2ccnn2C)CCCCC1 839347668 ZWYSSCLGDZRLMW-CYBMUJFWSA-N 276.380 3.551 30 20 CHED Cc1ccc(C=NNc2c(F)cccc2F)s1 735619730 QFRJMFPALBMRTC-UHFFFAOYSA-N 252.289 3.781 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@H]2CCCF)cc1F 835009543 VBNLFTKYPPVIAQ-JTQLQIEISA-N 296.317 3.842 30 20 CHED C[C@@H]1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1 733081221 RGQGDJYWDWDXIZ-JFNAFIFTSA-N 276.336 3.544 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N[C@H](C)C#N 586756605 YRWHUGYCDUCDNI-SMOJQAGNSA-N 276.424 3.647 30 20 CHED N#CC1(COC(=O)c2c[nH]cc2-c2ccc(F)cc2)CCC1 837542997 ATVDSDYGJIQDCA-UHFFFAOYSA-N 298.317 3.671 30 20 CHED CCCn1cccc1C=NNc1c(F)cccc1F 735614875 FEIXCCPMBPVQQY-UHFFFAOYSA-N 263.291 3.622 30 20 CHED C[C@@H](NN=C1CCC[C@H](C(F)(F)F)C1)C(F)(F)F 834998984 ZZIBBKBAYVKIMP-RQJHMYQMSA-N 276.224 3.635 30 20 CHED Cc1ccc(C#N)nc1N(C)Cc1nc2ccccc2s1 590573422 YTPUMZHAOWOZMK-UHFFFAOYSA-N 294.383 3.508 30 20 CHED CC(C)Oc1ccccc1C/N=C/c1ccccc1O 917557610 BTNCXOYXDQBIDO-WOJGMQOQSA-N 269.344 3.799 30 20 CHED C#C[C@H](C)OC(=O)c1oc2c(C)ccc(C)c2c1C 744180456 MRCTXJZKFYOHMZ-NSHDSACASA-N 256.301 3.537 30 20 CHED CCC1(CC)CCCN(C(=O)c2sccc2C#N)C1 598216579 UABUXKJSYIANBS-UHFFFAOYSA-N 276.405 3.662 30 20 CHED C=C(C)COC(=O)C1(c2ccccc2F)CCCC1 916588163 YURFHLGFJQRRHD-UHFFFAOYSA-N 262.324 3.757 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2nc(C)cc(C)n2)cc1 747624011 GYVYEVJROMFFFZ-ZDUSSCGKSA-N 298.390 3.694 30 20 CHED C=CCN(CCC#N)C(=O)CCCC[C@H](C)CC 590038533 ZTWHIBGAPWIZBZ-CQSZACIVSA-N 250.386 3.521 30 20 CHED CC(C)c1ccccc1C=NN[C@H](C)C(F)(F)F 848412499 SQHPQGWDXIOLFM-SNVBAGLBSA-N 258.287 3.684 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C\c2cc(OC)ccc2O)C1 749007409 HERFDMXHERSKMW-DCFZTUSPSA-N 293.432 3.884 30 20 CHED N#CCCSCc1c(F)c(F)c(F)c(F)c1F 840210944 BWFDWIKARLFKEV-UHFFFAOYSA-N 267.222 3.529 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593961600 HIKUYOHVZPOESA-OLMNPRSZSA-N 298.430 3.822 30 20 CHED COc1ccc(C=NNc2cc(C)cc(C)c2)cc1 916346689 OWDQJZZOTHCEPB-UHFFFAOYSA-N 254.333 3.758 30 20 CHED COc1ccc(C#N)cc1CN1Cc2ccccc2[C@H](C)C1 746309362 ANRWOKKLGCWHPC-CQSZACIVSA-N 292.382 3.686 30 20 CHED CCC(=NNc1nccnc1C1CCC1)[C@H]1C[C@@H]1C 841638493 USORVOQYJNXLRN-JQWIXIFHSA-N 258.369 3.578 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 598299024 BLRHGPGSPGKABK-KJWYOANISA-N 296.414 3.699 30 20 CHED C[C@H](NC(=O)/C=C\c1cccs1)c1ccc(C#N)cc1 914485534 RGPCYJFCLXYSGI-LAUAKBEESA-N 282.368 3.510 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1 590672868 DRXQPUIHXBWLLM-UKRRQHHQSA-N 272.392 3.808 30 20 CHED C=CCn1c(S[C@H](C)C(C)C)nc2sccc2c1=O 591038693 RSYWBZRRIYAHQN-SNVBAGLBSA-N 294.445 3.781 30 20 CHED CC[C@H](C#N)C(=O)N1CCCCC[C@H]1c1ccccc1 593412797 SECWZBIOWRTLBV-ZBFHGGJFSA-N 270.376 3.680 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1ccnn1C(C)C)C2 841488604 UAEBSCVXBUSKBS-UVTDQMKNSA-N 266.344 3.595 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(OC(C)(C)C)cc2)nn1C 840721911 WRQOMPYUYUVTFR-DHZHZOJOSA-N 298.386 3.802 30 20 CHED CC1=CC(=NNc2cc(Cl)nc(C)n2)CC(C)(C)C1 741766473 SFJDMFHJSAKWLR-UHFFFAOYSA-N 278.787 3.973 30 20 CHED CC(C)OC(=O)Nc1ccc(OCCC#N)c(Cl)c1 844951513 CNZWBANDQCEHKE-UHFFFAOYSA-N 282.727 3.589 30 20 CHED N#CCCCOc1cccc(NCCC2CCOCC2)c1 590777641 WKBFIKLIGLVVKO-UHFFFAOYSA-N 288.391 3.598 30 20 CHED CC(C)Cc1ccc(CCC(=O)N(C2CC2)[C@H](C)C#N)cc1 598133166 XRSJLOYJFYBIFB-OAHLLOKOSA-N 298.430 3.721 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc2c(c1)COC2 743417194 FWBHWYIXZNUXKJ-UHFFFAOYSA-N 288.297 3.831 30 20 CHED CCc1cnccc1[C@@H](C)N[C@@H](C#N)c1ccccc1 595428020 YQYYRSNQTJQFFS-DYVFJYSZSA-N 265.360 3.559 30 20 CHED N#CC1(CC(=O)N[C@H](C2CCC2)C2CC2)CCCCC1 597760576 STZONTJTMVVECB-MRXNPFEDSA-N 274.408 3.545 30 20 CHED C=CCCCCCN1CCCN(C(C)=O)c2ccccc21 683784909 RVELRUNFVGAQCP-UHFFFAOYSA-N 286.419 3.996 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1OC 590989057 GPDMOXIMBFGKDS-ZIAGYGMSSA-N 286.375 3.722 30 20 CHED CC(C)(C#N)CC(=O)OCC[C@H]1CCc2ccccc21 849764899 TVPSYIIMRMCHQJ-CQSZACIVSA-N 271.360 3.590 30 20 CHED CCC(=NNc1ccc(OC(F)F)cc1)C1CCOCC1 745195737 JRYDSGAKGFACCI-UHFFFAOYSA-N 298.333 3.893 30 20 CHED C[C@@H]1CCCCN1N=C1CCC2(CCOCC2)CC1 853378812 CWHPZQMNSJAYDJ-CQSZACIVSA-N 264.413 3.588 30 20 CHED C#CCCCC(=O)N[C@H](CC)Cc1ccc(Cl)cc1 757944643 HAPDTVAOSLHDMB-OAHLLOKOSA-N 277.795 3.581 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1cc(F)ccc1F 755581723 QYZNYAOSQKDKON-KTAJNNJTSA-N 278.229 3.706 30 20 CHED O=C(NO)c1ccccc1Oc1ccc(Cl)cc1Cl 920879048 ZNQGQEWLGULUOM-UHFFFAOYSA-N 298.125 3.905 30 20 CHED C=C[C@@H](CC(=O)OCc1ccccc1C#N)c1ccccc1 758911646 KIVIMBPOWJTMPK-HNNXBMFYSA-N 291.350 3.961 30 20 CHED Cc1ccc(F)cc1NN=C1[C@H]2CCCO[C@@H]2C1(C)C 853394070 WTMQYZXULBTYFN-DOMZBBRYSA-N 276.355 3.737 30 20 CHED C#CC[C@@H](NC(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccccc1 757059235 OIQIRTUBADYLCD-FGTMMUONSA-N 296.414 3.583 30 20 CHED Cc1cc([C@H](C#N)C(=O)CC2CCC(C)(C)CC2)nc(C)n1 752479153 WZNDBZVGPFIYHL-HNNXBMFYSA-N 299.418 3.876 30 20 CHED COc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1 921267266 ZSZRXDHKCKQQRZ-XFXZXTDPSA-N 268.287 3.657 30 20 CHED C#CCCCN1CCC[C@H](c2ccc(F)c(F)c2)C1 859414341 FYYRTJPEJPPKRM-AWEZNQCLSA-N 263.331 3.558 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1cc(C(F)(F)F)ccc1F 753948061 VZNHKIUQZUPCIS-HTQZYQBOSA-N 260.234 3.898 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cc(F)cc(F)c1O 757465081 KLPIIFWUVMZVRH-UHFFFAOYSA-N 297.692 3.555 30 20 CHED C=CC[C@H](N[C@@H](C)c1cccc2c1OCO2)c1ccncc1 925075535 PQKYMYLKIMMFLB-BBRMVZONSA-N 296.370 3.778 30 20 CHED C#C[C@@](C)(CC)NCc1ccc(OCc2ccccn2)cc1 852101705 HBVSPROXLKCPIV-IBGZPJMESA-N 294.398 3.552 30 20 CHED Cc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccn2)cc1 926616524 SMUUPAMMPWNWLI-KVSKMBFKSA-N 291.398 3.761 30 20 CHED CCC[C@H](NCc1cc(C#N)ccc1F)c1cccnc1 756734676 YBZZYGJJRLKJRV-KRWDZBQOSA-N 283.350 3.723 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC1SCCS1 850562812 ZTNFCZNDYHGLLP-VXGBXAGGSA-N 257.468 3.517 30 20 CHED C/C(=C/C(=O)N1CCCC(C)(C)[C@@H]1C#N)c1cccs1 857195313 UMWFFNPMXSQQBD-HCYCVZQXSA-N 288.416 3.692 30 20 CHED C=CCC1(NCC(F)(F)C(F)F)CCCCC1 859746826 XJILKGKDAZZXNP-UHFFFAOYSA-N 253.283 3.755 30 20 CHED C=CCC1(NC(=O)c2sc(Cl)nc2C)CCCC1 855927787 ZJSDPNFDPNFIHV-UHFFFAOYSA-N 284.812 3.724 30 20 CHED C=CCCCCCCCNc1cc(Cl)nc(O)n1 858547542 FSEMIOCFJWEBTL-UHFFFAOYSA-N 269.776 3.774 30 20 CHED CC(C)c1cccc(C(=O)OCC2(CC#N)CC2)c1 850282320 XQUGKZHGOPENNB-UHFFFAOYSA-N 257.333 3.661 30 20 CHED CCC(CC)CC(=O)O[C@@H](C)c1cccc(C#N)c1 759548522 VDEPYCYZHNRRRH-LBPRGKRZSA-N 259.349 3.989 30 20 CHED Oc1ccc(C=NNc2ccccc2Cl)cc1F 755472064 OCZKKYFKGMSCEU-UHFFFAOYSA-N 264.687 3.631 30 20 CHED N#CCCCOC(=O)C1(c2c(Cl)cccc2Cl)CC1 759440696 YFBPUKOEKUCJJV-UHFFFAOYSA-N 298.169 3.872 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N(CCC#N)Cc1ccco1 931269723 QZRCXVHNTHIPFP-OAHLLOKOSA-N 296.370 3.634 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccccc1OC(C)C 767072873 XRIZOZAYLJTPOB-CQSZACIVSA-N 287.403 3.701 30 20 CHED C#CCCc1noc(CSc2cc(C)ccc2C)n1 762008008 WEQXFNDZHAXOFM-UHFFFAOYSA-N 272.373 3.545 30 20 CHED C=C1CN(C(=O)Nc2c(SC)nc3ccccc3c2C)C1 931961450 SOPPAAVBFHYKQL-UHFFFAOYSA-N 299.399 3.669 30 20 CHED COc1ccc(NN=C(C)c2ccc(C(C)(C)O)cc2)cc1 767388430 UBKRNJVXDVIOAS-UHFFFAOYSA-N 298.386 3.759 30 20 CHED CCc1ccc(C=NNCc2ccccc2Cl)o1 864029104 YSZKMLDQKLHVKI-UHFFFAOYSA-N 262.740 3.619 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@](C)(O)c1ccccc1Cl 765677188 LCBOGOZDQPUUQG-HEHGZKQESA-N 281.827 3.738 30 20 CHED C=CCN(CC=C)Cc1ccc(N2CCCCC2)cc1 768137638 QMPKKYOTRFYFAW-UHFFFAOYSA-N 270.420 3.851 30 20 CHED C#CCCCNC1(c2ccc(Br)cc2)CCC1 766912846 MBFXANNBXHVENM-UHFFFAOYSA-N 292.220 3.831 30 20 CHED C#Cc1ccc(-c2nc(C3CCCCCCC3)no2)cn1 762356642 FNZSNLWOJLBUFS-UHFFFAOYSA-N 281.359 3.941 30 20 CHED C=CC[C@@H]1N(C(=O)c2csc(C=O)c2)CCCC1(C)C 769643383 NXGFHGUVNHGLKL-AWEZNQCLSA-N 291.416 3.768 30 20 CHED C=CC[C@H](N[C@@H](C)c1cncs1)c1ccncc1 766017425 BTFWHIZZCMGODV-AAEUAGOBSA-N 259.378 3.506 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2coc(C)n2)cc1 767055088 STFYYDKQOAHOFG-UHFFFAOYSA-N 282.343 3.782 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NC(=O)CCCCCC#N 1119443447 NWVHDOZRFKPRKJ-QGZVFWFLSA-N 286.419 3.844 30 20 CHED C#C[C@@H](NCc1ccc(-c2ccsc2)cc1)[C@H]1CCCO1 769787923 FCPFDZNFPJZWIE-QZTJIDSGSA-N 297.423 3.686 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1ccc(F)cc1C#N 761487758 FVSBOUCLSFSRNL-NSHDSACASA-N 277.339 3.813 30 20 CHED Cc1ccc(OCCCC(=O)OCCCCC#N)c(C)c1 766365888 PYSMEGZQHRJOFI-UHFFFAOYSA-N 289.375 3.700 30 20 CHED CCOCCON=C1CCCC[C@H]1c1ccccc1 774436438 ISTOOJMTEKKLLG-HNNXBMFYSA-N 261.365 3.753 30 20 CHED C#C[C@@H](C)NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 773586261 ADZBSGLRKMHPEZ-DOMZBBRYSA-N 290.382 3.624 30 20 CHED Cc1ccc(/C=C2\CC(=O)Nc3ccccc3C2=O)cc1 774144510 JYQCWIZFCZGQRI-GXDHUFHOSA-N 277.323 3.604 30 20 CHED C[C@@H](CCOCc1ccccc1)Nc1cccc(CC#N)n1 1117487705 IUYQESDKXWFOLJ-HNNXBMFYSA-N 295.386 3.555 30 20 CHED Cc1cnc(C(=O)N(C)c2cc(Cl)ccc2C#N)c(C)c1 779980254 IMOMGGTWIVYUSX-UHFFFAOYSA-N 299.761 3.500 30 20 CHED C=CCOc1cccc(NC(=O)c2occ(C)c2C)c1 1117135308 LIDBOEBEXRZMHI-UHFFFAOYSA-N 271.316 3.714 30 20 CHED C1CCC(ON=C2CCN(C3CCCC3)CC2)CC1 777458264 BEZRBRGVOVFFGG-UHFFFAOYSA-N 264.413 3.730 30 20 CHED Cn1ccc(/C=C\C(=O)c2ccc(SC(F)F)cc2)n1 773154977 YSDBYKXFDFHCBQ-DAXSKMNVSA-N 294.326 3.631 30 20 CHED C#C[C@@H](C)NC(=O)/C(C)=C/c1c(Cl)cccc1Cl 775385676 JXYBIKXMZPCINO-AAXQSMANSA-N 282.170 3.535 30 20 CHED N#Cc1ccc(NCc2ccc(NC(=O)C3CC3)cc2)cc1 1115819867 MUUNUSCMNOMLCV-UHFFFAOYSA-N 291.354 3.519 30 20 CHED C=C(C)CN(C)C(=S)NC[C@H](CC)CCCC 777917969 GNRBELGHOLHJQD-CYBMUJFWSA-N 256.459 3.585 30 20 CHED COC(=O)c1ccccc1NN=C[C@H]1CCC[C@H](C)C1 776187488 PXWKJZPEYPPUAT-STQMWFEESA-N 274.364 3.697 30 20 CHED CC[C@@](C)(NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 775394740 MUKSMZHRKQMRLN-RTBURBONSA-N 294.398 3.507 30 20 CHED Fc1ccccc1CCNN=C1CCCNc2ccccc21 774391550 TUHRTENCWSXZQJ-UHFFFAOYSA-N 297.377 3.568 30 20 CHED C=C(C)[C@@H](CC(=O)OCCCc1cccc(F)c1)OCC 778834830 DKSJUXGVWTULOW-MRXNPFEDSA-N 294.366 3.673 30 20 CHED C=C(CC)COC(=O)CCCC(=O)c1ccc(OC)cc1 773497056 ZFLDXRZBXQHCIX-UHFFFAOYSA-N 290.359 3.558 30 20 CHED C#CCOc1ccc(F)cc1NCc1c(F)cccc1F 770403848 BKDDXNSZEHDMFK-UHFFFAOYSA-N 291.272 3.728 30 20 CHED CC[C@H](NC(=O)Cc1ccccc1CC#N)C1CCCCC1 776871788 NCBWHWRKQZHRLI-SFHVURJKSA-N 298.430 3.770 30 20 CHED N#CCc1ccccc1CC(=O)Nc1ccc(Cl)cc1 776727403 DJRNWNXIVKFNAS-UHFFFAOYSA-N 284.746 3.587 30 20 CHED Brc1ccc(CNN=C2CC3(CCC3)C2)cc1 772841777 JPTZTNILCIGPFF-UHFFFAOYSA-N 293.208 3.859 30 20 CHED C=CC[C@H](NC(=O)C1C[C@@H](C)C[C@H](C)C1)c1ccncc1 779944949 UEPZGWFQNNNPMY-ZQIUZPCESA-N 286.419 3.887 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1nc(C2CCCCC2)cs1 880244224 AEJDZSUGRPALBT-SNVBAGLBSA-N 295.408 3.818 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2ccon2)c1 887104245 BVLKHJKLDKBFNQ-MRXNPFEDSA-N 270.332 3.882 30 20 CHED Cn1ccc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)n1 773155701 XMVPBFQYNGELAW-ARJAWSKDSA-N 286.718 3.716 30 20 CHED Cc1c(Cl)nnc(N[C@@H]2CCc3cc(C#N)ccc32)c1C 882276711 VPXZDKJTSUJIKI-CQSZACIVSA-N 298.777 3.718 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 885667487 KUYIRUQQMWZJMD-CZUORRHYSA-N 299.370 3.512 30 20 CHED COc1ccc(CSCCCCC#N)c(OC)c1 882312325 LGQKOOZYIIBHDF-UHFFFAOYSA-N 265.378 3.631 30 20 CHED N#Cc1ccnc(COc2cc(Cl)cc(Cl)c2)c1 1458761064 WVHFBJXSVCCFGD-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C=CCCN(Cc1ncccc1C)OCc1ccccc1 782668121 LBKLJKPUVQFENW-UHFFFAOYSA-N 282.387 3.900 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1nc(C2CC2)cs1 781485299 XNROBCOLEKELPS-NSHDSACASA-N 277.389 3.818 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 890321046 RHMYYXNGPVCBFF-ZYHUDNBSSA-N 275.314 3.532 30 20 CHED COc1ccc(NCc2c(C)nn(C(C)C)c2C)cc1C#N 895871370 SPBJAEKEKBXMOA-UHFFFAOYSA-N 298.390 3.573 30 20 CHED CC(=O)Nc1cccc(C(C)=NN[C@H]2CCCC2(C)C)c1 782287179 KUMNZVMIBRRFAR-INIZCTEOSA-N 287.407 3.537 30 20 CHED CC(C)(C#N)CCCOC(=O)c1c(F)ccc(F)c1F 784801348 WDWRQKFDUCCNIT-UHFFFAOYSA-N 285.265 3.591 30 20 CHED C=CC[C@H](C)[C@H](C)NCC(C)(C)C1CCOCC1 897452237 UZFKVQZDSCNITB-KBPBESRZSA-N 253.430 3.630 30 20 CHED COc1ccsc1C(=O)/C=C\c1scnc1C1CC1 782350720 CPRMYOZXRUXHFK-PLNGDYQASA-N 291.397 3.987 30 20 CHED C[C@@H]1CCC(=NN[C@@H]2CCOC(C)(C)C2)c2ccccc21 780248625 CETYMUFRVWJRNO-ZIAGYGMSSA-N 286.419 3.835 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(=O)oc2cc(CC)ccc12 785997311 LDWHNAFZZLACDW-INIZCTEOSA-N 297.398 3.896 30 20 CHED C#CCC1(C(=O)N(C)c2ccsc2)CCCCC1 892558323 RVCJAWHJKCVHMY-UHFFFAOYSA-N 261.390 3.685 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1ccc(Cl)cn1 782288742 RQYSGSHBZLHMRK-ZDUSSCGKSA-N 265.788 3.627 30 20 CHED N#CCN(c1ccccn1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 892472590 BHSSBLDHHFJDBH-WKILWMFISA-N 297.402 3.545 30 20 CHED Cn1ccc(C=NNc2cc(Cl)cc(Cl)c2)c1 790202771 YCUXYQDNOUUTDY-UHFFFAOYSA-N 268.147 3.778 30 20 CHED Cc1sc(Cl)nc1C(=O)O[C@H](C)CC(C)(C)C#N 893177610 AAALAVIPUAJMGI-SSDOTTSWSA-N 286.784 3.590 30 20 CHED CC[C@@H](C)NN=Cc1cn(-c2ccc(Cl)cc2)nc1C 790189810 QVSSIZNUGPHUHO-LLVKDONJSA-N 290.798 3.556 30 20 CHED CSCCON=C(C)c1ccc(F)cc1Cl 794572816 ITSPGJKEAPAILG-UHFFFAOYSA-N 261.749 3.583 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)COc2cc(F)ccc21 794726677 DJQZVAUYIHILTB-TWGQIWQCSA-N 290.240 3.763 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1cccc2ccccc12 797884343 LREUTLAHIHIPSV-UHFFFAOYSA-N 291.306 3.970 30 20 CHED COc1cc(C=NOCc2cc(C)ccc2C)cc(OC)c1 794725505 GPVKWXLKTZOHMR-UHFFFAOYSA-N 299.370 3.871 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccc(F)cc1C 799884320 BNLLQPLPMUBOLN-LBPRGKRZSA-N 264.344 3.739 30 20 CHED CC(=NNc1cnccn1)[C@@H](C)c1ccc(Cl)cc1 794488054 CABBSLIKWZQIKY-SNVBAGLBSA-N 274.755 3.722 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccccc2C#N)CC1 790180216 CFXKVNKDUMIHLU-UHFFFAOYSA-N 269.392 3.650 30 20 CHED C[C@H]1c2ccc(Cl)n2CCN1Cc1ccc(CC#N)cc1 794443969 LAGRMRNZXHXTRX-ZDUSSCGKSA-N 299.805 3.784 30 20 CHED CC[C@H](C)CON=Cc1cccc(Br)c1O 793144645 FFOFJUXEETVMLY-VIFPVBQESA-N 286.169 3.551 30 20 CHED CC(C)O[C@@H](COC(=O)CC(C)(C)C#N)c1ccccc1 795543684 GSDNDSPUNOZLJK-HNNXBMFYSA-N 289.375 3.636 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1ccnn1C(C)C)CO2 794942190 KFNXBBUIPXISCB-NTEUORMPSA-N 296.370 3.740 30 20 CHED C#C[C@@H](CCC)NC(=O)c1nc(C)sc1-c1ccccc1 791750805 QZZYDCUBMFJFPZ-AWEZNQCLSA-N 298.411 3.650 30 20 CHED CC[C@@H](CC(F)F)CN1CCCC(C)(C)[C@@H]1C#N 595463858 BBTJFQYRRRFXQE-RYUDHWBXSA-N 258.356 3.682 30 20 CHED C#CCN(CC)Cc1csc(-c2ccc(C)cc2)n1 746457014 UUAPJKPEJMVBIL-UHFFFAOYSA-N 270.401 3.574 30 20 CHED CC(C)CC1(C(=O)[C@H](C#N)c2ccccn2)CCCC1 95016713 PURLPMHBVWZRER-CQSZACIVSA-N 270.376 3.864 30 20 CHED CCc1nc(C#N)cc(NCC[C@@H]2CCCC[C@@H]2C)n1 1306970391 QKEWYSOJJLUNEA-STQMWFEESA-N 272.396 3.539 30 20 CHED CC(C)[C@@H](CNc1ncccc1C#N)Cc1ccccc1 1307098961 PSKGATXMCBUJAH-QGZVFWFLSA-N 279.387 3.880 30 20 CHED CC(C)C(=NNCC1CCOCC1)C1CCCCC1 1318599558 HWBQCZXRDUXQFS-UHFFFAOYSA-N 266.429 3.595 30 20 CHED C#CCCCCCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 1319927767 LEHDLUNYSWCGFG-GFCCVEGCSA-N 290.432 3.790 30 20 CHED C=CCCCOC(=O)C(F)(F)c1ccc(Cl)cc1 1321909250 ROUKHAQXDPVRIR-UHFFFAOYSA-N 274.694 3.941 30 20 CHED N#Cc1ccnc(/C=C/c2ccc(F)c(C#N)c2Cl)c1 1324706004 HSBHFKPXCOZMMH-HNQUOIGGSA-N 283.693 3.788 30 20 CHED Cc1cccc(NN=Cc2ccc(-c3cnn(C)c3)cc2)c1 1321099163 AZTHVDHOZYZFHP-UHFFFAOYSA-N 290.370 3.842 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)n(CC2CC2)c1C 1321327080 XFLUULMAMRXLIV-OAHLLOKOSA-N 274.408 3.599 30 20 CHED CSc1ccccc1C(C)=NN[C@H]1CCOC(C)(C)C1 1321179769 JMWYVFOKEQINKH-ZDUSSCGKSA-N 292.448 3.680 30 20 CHED C=CCC1(C(=O)NCc2ccc3c(c2)CCC3)CCC1 1320814439 NBOGHWXUBFIFNB-UHFFFAOYSA-N 269.388 3.538 30 20 CHED C#CC[C@@H](CCOC)NCc1ccc(SC(F)F)cc1 1331795362 QQGPYVQYJFJOEA-ZDUSSCGKSA-N 299.386 3.519 30 20 CHED C=C1CCC(C(=O)Nc2ccc(OC)cc2F)CC1 1333837647 FWVXPXYPHVXCHB-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C=CCC[C@H](C(=O)Nc1nc(C)ncc1C)c1ccccc1 1334116079 XURWOULDEFTVHG-INIZCTEOSA-N 295.386 3.782 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)c1csc(C#N)c1)CCC2 1261263898 WERNPHOYNRTLAY-INIZCTEOSA-N 296.395 3.736 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 1345866694 JFZLKSQMWQYSBT-UHFFFAOYSA-N 298.305 3.823 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cccc3ccsc23)C1 1344028670 BINRWMHQGFAHRK-CMPLNLGQSA-N 271.341 3.750 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)C1CCCC1)c1ccc(Cl)cc1 1350857223 GWSSWCLXEOQJKY-NHYWBVRUSA-N 290.794 3.642 30 20 CHED N#Cc1cccc2c1CCN2C(=O)c1cc2ccccc2o1 1436917692 AMOXWLFMXBAHJY-UHFFFAOYSA-N 288.306 3.507 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccc(C#N)cc1C(C)=O 1436276910 ZOEQFBWDWBNNQY-CQSZACIVSA-N 286.375 3.916 30 20 CHED CC(C)(C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1357157095 LEVATYXRMLOJSQ-UHFFFAOYSA-N 295.342 3.730 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2ncccc2c1 1353225073 IOKIARWPFIHXGB-UHFFFAOYSA-N 254.333 3.776 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@H](C(C)C)C1 1515414572 LMMIXDCWALXILC-LBPRGKRZSA-N 298.381 3.664 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)[C@@H]2CCSc3ccccc32)C1 1524712096 PVWGKUCUDDSSDO-YRGRVCCFSA-N 287.384 3.501 30 20 CHED CC(C)Oc1ccccc1C(=O)O[C@@H](CC#N)c1ccco1 1526992412 MWRSBKBWTNNYGL-INIZCTEOSA-N 299.326 3.879 30 20 CHED CC1(CC(=O)[C@@H](C#N)c2cccc(F)n2)CCCCC1 1524704923 MGKTUVJATXUMLK-LBPRGKRZSA-N 274.339 3.757 30 20 CHED Cc1ccc(S[C@H](C(=O)O)c2ccsc2)c(C#N)c1 1600496405 VXXPKXSZLZDLRV-ZDUSSCGKSA-N 289.381 3.846 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2ccc(C(=O)O)cc2)cc1 1600401699 WQADTRBSABGYDR-MRXNPFEDSA-N 297.379 3.920 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccc(C)c(C#N)c1 1532126279 KDWMFPNCCVUGBQ-INIZCTEOSA-N 272.392 3.955 30 20 CHED Cc1ccc(C#N)cc1NCc1cccc2cc[nH]c12 227114284 SKVOYKLXQAXJOX-UHFFFAOYSA-N 261.328 3.960 30 20 CHED C=C(CC)C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 1548677576 GSMIRCWSTXJIMT-DZGCQCFKSA-N 255.361 3.634 30 20 CHED CC1(CNC(=O)C2(C#N)CCCCC2)CCCCC1 229591020 FNGBXCPLHMICAT-UHFFFAOYSA-N 262.397 3.547 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@H]2CC2CCCCC2)n1 1559086241 RGEHVFLXHKSAST-INIZCTEOSA-N 298.434 3.850 30 20 CHED Cc1ccc(C[C@H](C)Nc2ncc(C#N)cc2F)c(C)c1 1639466746 JCZYLUFCVNIWMS-ZDUSSCGKSA-N 283.350 3.752 30 20 CHED C[C@H](CNC(=O)Nc1cc(F)cc(C#N)c1)C(C)(C)C 1563172485 JXWBMXPBHIIBMP-SNVBAGLBSA-N 277.343 3.501 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1ccc2nc(O)oc2c1 1640224097 JCPILUHJIOTCSO-SECBINFHSA-N 297.289 3.717 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)C1(C#N)CC(C)C1 1570339691 PFTPEFRXLZYPEV-GWUWNPHMSA-N 276.424 3.649 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)[C@H]1CCC[C@@H](C)C1 1646205344 VVZUKKQRBJOIHG-VKJFTORMSA-N 270.420 3.905 30 20 CHED N#Cc1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 20666666 JBKSNHDBTOJDQI-UHFFFAOYSA-N 259.309 3.601 30 20 CHED CCc1nc(C#N)cc(N2CCC(C3CCCCC3)CC2)n1 1652017518 XXJARMPEGWAGJD-UHFFFAOYSA-N 298.434 3.707 30 20 CHED Cc1nc2c(c(Sc3ccc(C#N)c(C)c3)n1)CCCC2 1651970161 ZVVUVHLIIYCRFV-UHFFFAOYSA-N 295.411 3.995 30 20 CHED N#Cc1nc(NCc2ccc(F)cc2F)sc1Cl 1650693807 ISQQGLTUYDGPBP-UHFFFAOYSA-N 285.706 3.558 30 20 CHED Cc1cc(C#N)cc(NCC2=Cc3ccccc3OC2)c1 1657528524 JXMHPEDIRZETNT-UHFFFAOYSA-N 276.339 3.755 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 1586124556 LFITXVGYDKJDGN-GRYCIOLGSA-N 290.329 3.506 30 20 CHED C=CC[C@H]1CC[C@H](Nc2cc(COC)cc(C(=O)O)c2)C1 1588770559 ASIXOPSQMHHLLD-WFASDCNBSA-N 289.375 3.688 30 20 CHED CC(C)(C#N)c1ccc(CNc2cccc(C(=O)O)c2)cc1 1589557766 GYOYUBYYDXAKTC-UHFFFAOYSA-N 294.354 3.798 30 20 CHED C=CC[C@@H]1CCCN(Cc2c(C(=O)O)[nH]c3ccccc23)C1 1588772665 LBNFFAYLVMVELF-CYBMUJFWSA-N 298.386 3.654 30 20 CHED C[C@H]1C/C(=C/c2cc(C(=O)O)co2)C(=O)c2ccccc21 1594195994 FNKYGVNWQKPUTI-QBQSQJOESA-N 282.295 3.751 30 20 CHED Cc1c(NN=Cc2cccc3[nH]ccc23)cccc1C(=O)O 1776087676 PQICDMXNDHLLCZ-UHFFFAOYSA-N 293.326 3.621 30 20 CHED CCCCCCC[C@H](C)CNc1ncc(C(=O)O)c(C)n1 1776782352 KRSZIQWTSJMGKW-LBPRGKRZSA-N 293.411 3.892 30 20 CHED O=C(O)c1cc(C=NNc2ccc(Cl)cc2F)cs1 1776106864 ZSQFARQHMXERPB-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C=C(CNC(=O)NC1(CC)CCCC1)c1ccccc1 1683121981 TXJAIIRKWZDGDH-UHFFFAOYSA-N 272.392 3.722 30 20 CHED C=CCC1(C(=O)O)CCN(CCC[C@@H](C)CCC)CC1 1776159946 KPSMAMATHIVNBW-HNNXBMFYSA-N 281.440 3.946 30 20 CHED N#CCc1ccc(NC(=O)CCCc2cccs2)cc1 8126429 RUUMDKROORQFPR-UHFFFAOYSA-N 284.384 3.776 30 20 CHED CN(Cc1cccc(C#N)c1)c1cc(Cl)nc(C2CC2)n1 162934989 CJADVCIIKPDZHQ-UHFFFAOYSA-N 298.777 3.515 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1cccs1 206088690 JJDIILZHZGTZTN-XQRVVYSFSA-N 250.269 3.922 30 20 CHED C=CCC[C@@H](NC(=O)NCCCSC)c1ccccc1 158673869 WFYWRSMSOKMWFH-OAHLLOKOSA-N 292.448 3.746 30 20 CHED CCOc1cccc(NCc2ccc(C#N)s2)c1 155985321 ZKRWPXBKSVBBRQ-UHFFFAOYSA-N 258.346 3.631 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2ccc(OC)cc2)cc1 809612203 WZOPTQRCONLRBZ-AWEZNQCLSA-N 265.356 3.527 30 20 CHED CSc1ccc(C(=O)N(C)c2ccccc2C#N)cc1 128649136 ZJWVKEHDBYVZOO-UHFFFAOYSA-N 282.368 3.557 30 20 CHED CC(C)c1ccc(CNc2cccnc2C#N)cc1 129965274 IVZRMJQUOYPEKG-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C#CCOc1ccccc1CNc1cccc(CC)c1 21812599 XKJAKCAIJHOFJW-UHFFFAOYSA-N 265.356 3.873 30 20 CHED N#Cc1ccc(CNCc2cc(F)cc(Cl)c2)cc1 160893561 CDVSZKJGDJBWCM-UHFFFAOYSA-N 274.726 3.641 30 20 CHED C=C[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 658334731 AOSVAMWUBKOPHX-JGVFFNPUSA-N 294.609 3.844 30 20 CHED C=C(C)CN(CC)Cc1cc(-c2cccs2)on1 52890420 NSLPMXAMCJEWOS-UHFFFAOYSA-N 262.378 3.801 30 20 CHED CCO[C@@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)C12CCC2 462887698 BSSJTDPYOYMKKU-HUUCEWRRSA-N 290.794 3.971 30 20 CHED Cc1cc(NCc2ccc(C#N)c(F)c2)ccc1F 190370254 MINZPYKEISSMJE-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#CCCCCNC(=O)Nc1cccc2ccccc12 70940817 FWTRMPUJQBQGDF-UHFFFAOYSA-N 267.332 3.655 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](CC(C)C)C1 307778564 ROPOPEXACNHHRL-INIZCTEOSA-N 256.393 3.735 30 20 CHED C=C[C@@H](C)N[C@H]1CCc2ccc(Br)cc21 308830709 TUZYKMLHZLXCTH-RNCFNFMXSA-N 266.182 3.601 30 20 CHED CCN(Cc1cc(Br)ccc1C)C[C@@H](C)C#N 313731055 ASUXMHOHDMDQDI-NSHDSACASA-N 295.224 3.739 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(C(C)(C)C)cc1 315606608 NPIGNONZJSVPNC-UHFFFAOYSA-N 272.392 3.654 30 20 CHED Cc1cc(OC[C@H]2CCCC2(F)F)ccc1C#N 450921756 KCNUCZLRKXPMCT-GFCCVEGCSA-N 251.276 3.681 30 20 CHED Cc1csc(CNc2nc(C)c(C#N)cc2Cl)c1 344635450 TUSWFGOJAKXWRS-UHFFFAOYSA-N 277.780 3.897 30 20 CHED Cc1cc(C#N)cc(C)c1OCC1CC(F)(F)C1 394768055 KHBWXNARMZCFIX-UHFFFAOYSA-N 251.276 3.599 30 20 CHED Cc1cc(C=NOCc2ccccc2)cc(Cl)n1 788709898 QRGOXZHNKZAECG-UHFFFAOYSA-N 260.724 3.594 30 20 CHED COc1ccc(C)cc1N[C@H](C#N)C1CCCCC1 115605880 YGQGQMNJSDFJHM-OAHLLOKOSA-N 258.365 3.888 30 20 CHED CCc1ccc([C@H](C)CC(=O)NCCCCC#N)cc1 172411917 UBALQYFNGOXVIV-CQSZACIVSA-N 272.392 3.553 30 20 CHED Cc1cc(C)c(C(=O)N(C)Cc2cccc(C#N)c2)c(C)c1 171137055 IZTHMHKYVAZXOI-UHFFFAOYSA-N 292.382 3.756 30 20 CHED Cc1cc(OCC2(C#N)CCC2)ccc1Br 418919908 XXJLRZRCCYFBHM-UHFFFAOYSA-N 280.165 3.830 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2C(=O)NCCCCC#N 171448778 CMICMNWMQFRVST-UHFFFAOYSA-N 299.418 3.750 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccc(F)c1 172077742 XEMFCAMQLYPSBE-IUODEOHRSA-N 276.355 3.637 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc2c1CCC2 118227272 GKIJLLJKQFPDKP-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CC(C)(C#N)C(=O)NCC1(c2ccccc2)CCCCC1 55307398 JSKGAUNFUNYVDG-UHFFFAOYSA-N 284.403 3.554 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ncccc1C#N 52324860 KOZRGQXVFBCDGE-AWEZNQCLSA-N 281.359 3.980 30 20 CHED C#Cc1cccc(N(C)C(=O)CCCc2ccccc2)c1 103030936 KTXJWKXNGKUJFJ-UHFFFAOYSA-N 277.367 3.654 30 20 CHED C=CC1CCN(CN2C(=O)c3cccc4cccc2c34)CC1 111166074 DRLROQJOWAAHQA-UHFFFAOYSA-N 292.382 3.656 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@H](C)c1ccccc1 178375689 GYTOHBJAFDYMJT-ZDUSSCGKSA-N 278.355 3.999 30 20 CHED C=CCN1CCC(N[C@H](C)C(C)(C)c2ccccc2)CC1 177905193 KFZUTGQBBGNAFZ-MRXNPFEDSA-N 286.463 3.593 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(C(C)C)c1 69324091 XBQKRQLGOCIASY-CYBMUJFWSA-N 261.365 3.730 30 20 CHED C=CCOCCN[C@@H](C)c1cccc(Cl)c1Cl 305505591 YXXYJKMWHORARJ-JTQLQIEISA-N 274.191 3.847 30 20 CHED Cc1cc(F)cc2c(N3CCCCCC3)c(C#N)cnc12 301351201 MQIYOIQDURCLRS-UHFFFAOYSA-N 283.350 3.934 30 20 CHED Cc1cccc(CN[C@H](CCC#N)c2ccccc2)c1O 182655778 DBLIJXFWGCUTPA-QGZVFWFLSA-N 280.371 3.835 30 20 CHED CCCN(CCC#N)Cc1c(F)cccc1Cl 346667015 IJRKBBKZDKYVIC-UHFFFAOYSA-N 254.736 3.605 30 20 CHED Cc1cc(CN2CCC(C#N)CC2)c(OC(F)F)cc1C 123766108 JMGOFWPCBQHZMF-UHFFFAOYSA-N 294.345 3.640 30 20 CHED COc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)c(F)c1 171981347 BMZGWGCEBKFGEW-QPJJXVBHSA-N 288.322 3.508 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C/c1cccs1 182115826 KRUWKZODNXSDBQ-BCPZQOPPSA-N 298.367 3.691 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccc(OC)c1 116972183 MQSYILRLYUVWGG-CZUORRHYSA-N 288.391 3.506 30 20 CHED CC(C)(CCC#N)CNC[C@H](c1ccccc1)N1CCCC1 174238247 JAKHIUVIEOBJPN-GOSISDBHSA-N 299.462 3.743 30 20 CHED N#Cc1cc(F)c(NCC2CCC2)cc1Br 309427727 DMBRQRJLHPESPQ-UHFFFAOYSA-N 283.144 3.672 30 20 CHED Cc1csc(Sc2nc(Cl)c(C#N)s2)n1 307182710 VRVRADQICZAVAG-UHFFFAOYSA-N 273.795 3.584 30 20 CHED Cc1ccc2nc(C)c(C(=O)N[C@](C)(C#N)C(C)C)cc2c1 122377458 QXVCSZNWSNWTFX-GOSISDBHSA-N 295.386 3.520 30 20 CHED C#CCCCCC(=O)O[C@@H](c1ccccc1)c1nccs1 120401508 JUTALTLMTHNZED-INIZCTEOSA-N 299.395 3.969 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CSc2ccccc21 34594970 VELQMWIAKPCSLR-FMIVXFBMSA-N 297.335 3.967 30 20 CHED C=CCSCCN[C@@H]1CCSc2c(F)cccc21 180454719 LZFPWAURMQIANH-CYBMUJFWSA-N 283.437 3.871 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1cc(F)ccc1F 188540375 PQLTVZPDARLJHX-MEDUHNTESA-N 298.329 3.798 30 20 CHED C=CCNC(=O)CC(C)(C)Cc1ccc(Cl)cc1 187324111 XGUUUCMEUKRCPN-UHFFFAOYSA-N 265.784 3.601 30 20 CHED CS[C@H]1CCC[C@H](Nc2c(C#N)nnc3ccccc23)C1 77225474 CVAFAHYGTNUSNC-RYUDHWBXSA-N 298.415 3.588 30 20 CHED C#CCN(C(=O)Nc1ccccc1)[C@@H]1CCc2ccccc21 71950904 KQLCMNSMNDRTDK-GOSISDBHSA-N 290.366 3.841 30 20 CHED N#Cc1ccc(SC[C@H]2CCOC2)cc1C(F)(F)F 181059477 NHSSCPSLOZRNCC-VIFPVBQESA-N 287.306 3.706 30 20 CHED C=CCC[C@H](N[C@@H]1CS[C@@H](C)C1)c1ccco1 414221388 DFWZXMTZHBWWDY-AVGNSLFASA-N 251.395 3.771 30 20 CHED N#CCCCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 417303855 DPKGQPSOFRWRIK-MRXNPFEDSA-N 287.363 3.646 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H](C)c2ccncc2)s1 120723219 GBMHHAIBDPPOFB-LLVKDONJSA-N 299.399 3.709 30 20 CHED N#Cc1cccc(S[C@@H]2CCc3ccccc3NC2=O)c1 188066015 HGNJUDDGTSMRCU-MRXNPFEDSA-N 294.379 3.604 30 20 CHED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 38329135 HSHDZFMMLNJNIA-NSHDSACASA-N 296.395 3.851 30 20 CHED Cc1ncc(C[S@](=O)CCC2(C#N)CCCCC2)s1 417158374 VQVTWCAZSRMYTN-LJQANCHMSA-N 296.461 3.564 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)CC1CC1)c1ccccc1 187984747 WSROMMGTDVUAAE-CJNGLKHVSA-N 257.377 3.651 30 20 CHED N#CCCCCNC1(Cc2ccccc2)CCCC1 185831804 TZMQWMDSNSPEHC-UHFFFAOYSA-N 256.393 3.825 30 20 CHED CC[C@@H](CC#N)OC(=O)c1coc2cc(C)c(C)cc12 187973095 ZBTPKPFAWWABLB-LBPRGKRZSA-N 271.316 3.899 30 20 CHED Cc1nc(C)c(CNc2ccccc2O[C@H](C)C#N)s1 181132616 GOIRPOGCCGXKJP-SNVBAGLBSA-N 287.388 3.663 30 20 CHED C=C[C@@H]1CCCCN1Cc1cccc2cccnc12 489400127 JIBLXMWMGFFFJY-MRXNPFEDSA-N 252.361 3.775 30 20 CHED C=CCSCCNC(=O)N1CCC[C@@H]1[C@H](C)CCC 509172659 ZJRAMIBCEFRCGY-ZIAGYGMSSA-N 284.469 3.516 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416112645 VZKSJLPPQCPSRD-OMWUSAIZSA-N 296.414 3.878 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 213886396 ZEXDHSBPHNQVCF-DAXSKMNVSA-N 289.237 3.769 30 20 CHED Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)co1 187781724 FBUUWMXPHYREJP-UHFFFAOYSA-N 268.316 3.642 30 20 CHED C=C(C)CN(CC)Cc1ccc(Cl)cc1[N+](=O)[O-] 522536503 SZKMZNPHDBMRLA-UHFFFAOYSA-N 268.744 3.646 30 20 CHED C[C@H]1CCCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 187520125 JEIYTUQOLKSQKN-GJZGRUSLSA-N 272.392 3.599 30 20 CHED CCCCc1nc(CN(C)Cc2ccc(C#N)cc2)cs1 48056776 YSEANBYNQUFXRU-UHFFFAOYSA-N 299.443 3.989 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)NCC1(C#N)CCC1 416348340 TXIYRVUQVOHNEF-HNNXBMFYSA-N 276.424 3.649 30 20 CHED C=CCOc1ccc(C(=O)N2CCC(CC)CC2)cc1 77462390 GSYIGFPBYYELTB-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C=CCCCCCN(C)Cc1csc(CC)n1 606902658 ILNBLRVXOIANSI-UHFFFAOYSA-N 252.427 3.884 30 20 CHED C#CCCCCC(=O)Nc1cccc(C(C)(C)C)c1O 185857146 JLZRPJRQJGWIHD-UHFFFAOYSA-N 273.376 3.822 30 20 CHED O/C(C[C@@H]1CCCO1)=N\[C@@H](c1ccccc1)C1CC1 46764760 ZLQUFDLNHDGJKK-HOCLYGCPSA-N 259.349 3.663 30 20 CHED N#CCC1CCN(C(=O)c2cc3ccccc3s2)CC1 335738978 IYAZQOLCWNVXHQ-UHFFFAOYSA-N 284.384 3.667 30 20 CHED C=CCCCCCSc1nnc2nc(C)cc(C)n12 195416285 UNAUDQSRPLZXPA-UHFFFAOYSA-N 276.409 3.580 30 20 CHED C=CCC1(C(=O)NCc2ccc3ncccc3c2)CCC1 193967505 VEGUEKKAYQIXQV-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(NC(=O)C(C)C)c1 190318184 CJSNZGGMDSAXDT-QGZVFWFLSA-N 288.391 3.822 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)c1ccc(Cl)s1 84077387 YVYRZZOCIYTTOG-ZETCQYMHSA-N 296.804 3.826 30 20 CHED O=C(/C=C/c1ccc(OCC2CC2)cc1)c1ccncc1 191206710 BZERMWRVOPDYDH-VMPITWQZSA-N 279.339 3.767 30 20 CHED CC[C@@H]1C[C@@H](/C(O)=N/CCC2=CCCC2)CC(O)=N1 329766353 YAIAJNMVGOHWLZ-CHWSQXEVSA-N 264.369 3.588 30 20 CHED CC1CCC(C/C(O)=N/CCc2csc(O)n2)CC1 329485515 GBLRQHOLPLFUKT-UHFFFAOYSA-N 282.409 3.564 30 20 CHED N#CCCN(CCC#N)Cc1ccc(SC(F)F)cc1 132873106 UTJRBUIRWUHHTB-UHFFFAOYSA-N 295.358 3.631 30 20 CHED OC1=NC[C@@H](/C(O)=N/CCC2=CCCCCC2)CC1 329770245 IOYBAQMVPXRDPY-ZDUSSCGKSA-N 264.369 3.590 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](C)COCc1ccccc1 424614352 WHOWQNGNAJWTTL-OAHLLOKOSA-N 289.419 3.558 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(O)cc1OCCC 424803901 DKKGAILRUBJODK-UHFFFAOYSA-N 277.364 3.722 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2nccn2C)c1 424596136 GFOBXVBJVIIAKN-UHFFFAOYSA-N 283.375 3.628 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H](C)c1ccc2ccccc2c1 84583382 NNCSIWMNCSIIKA-HUUCEWRRSA-N 294.398 3.951 30 20 CHED CC(C)c1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1 86280140 OBZNMSUEQVRVNY-GFCCVEGCSA-N 259.353 3.576 30 20 CHED C[C@@H](/N=C(/O)c1coc(C2CCCC2)n1)c1cccnc1 329919524 RQHWKYAVEODMBG-LLVKDONJSA-N 285.347 3.793 30 20 CHED C#CCCCC(=O)Nc1cccc(C(=O)c2ccccc2)c1 192102295 IDBHBIHMYKFKHI-UHFFFAOYSA-N 291.350 3.660 30 20 CHED CCCCC[C@H](C)NC(=O)C1(C#N)CCCCC1 44385363 CNLCQQUMFNNHPF-ZDUSSCGKSA-N 250.386 3.545 30 20 CHED N#Cc1c(F)cccc1CSCc1cccnc1 427669035 VDSCTFBUKZISMB-UHFFFAOYSA-N 258.321 3.526 30 20 CHED C=C(CNC(=O)N(CC)CCC1CC1)c1ccccc1 512676480 CTKYKQNLUUSYRO-UHFFFAOYSA-N 272.392 3.531 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 332312179 MYVSARCQAHAUGQ-GFCCVEGCSA-N 289.354 3.741 30 20 CHED C=CCCCCCSCc1nnc(C)n1CCC 192544224 LVBRQHZLISMLPJ-UHFFFAOYSA-N 267.442 3.976 30 20 CHED C[C@H]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 334967343 KBMNGAMBIRXHHN-CMPLNLGQSA-N 291.782 3.716 30 20 CHED OC(=Nc1ccc2c[nH]nc2c1)[C@@H]1CCCN1C1CCCC1 330129674 KDNCGAGRHVYXFU-INIZCTEOSA-N 298.390 3.558 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N(CC)C[C@@H](C)C#N 424610673 WQRSTUVWGPAKSX-HOCLYGCPSA-N 286.419 3.572 30 20 CHED C=CCCCS(=O)(=O)Nc1c(CC)cccc1CC 427766369 NWOGEANVQDNBAZ-UHFFFAOYSA-N 281.421 3.519 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(c2ccnc(C#N)c2)C2CC2)o1 339975083 YLTOJBYOEWLNMI-SJCJKPOMSA-N 293.370 3.839 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)NCC(C)(C)CCC#N 513108536 PGKZBKZFNWDNKI-GJZGRUSLSA-N 293.455 3.927 30 20 CHED CN(C(=O)c1ccc(C(F)F)cc1)c1ccc(C#N)cc1 335895204 HLTIQGNOZICMMD-UHFFFAOYSA-N 286.281 3.772 30 20 CHED Cc1csc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 335075734 JFJQEOSALQPVNW-LBPRGKRZSA-N 284.384 3.761 30 20 CHED CCN(Cc1c(OC)ccc2ccccc12)C[C@H](C)C#N 91982551 AJKWZYAUMKYFKL-CQSZACIVSA-N 282.387 3.830 30 20 CHED C=CCCSCc1cc(OC)c(F)cc1[N+](=O)[O-] 339089666 DAIRDSKSFBAYKI-UHFFFAOYSA-N 271.313 3.552 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CC[C@@H](C)C(C)(C)C1 337766626 BXBZHRDPECVOMV-CYBMUJFWSA-N 288.439 3.604 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1cncc(-c2ccccc2)n1 435583174 FJIBDYNDFOMGBS-YJBOKZPZSA-N 295.386 3.537 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1CCO[C@@H](C)C1 330187839 UCGVUHASNBDNMN-SMDDNHRTSA-N 299.374 3.788 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccn1 339421773 DZQABYAQCNBFEI-CQSZACIVSA-N 297.333 3.615 30 20 CHED N#Cc1ccc(OCC#Cc2ccc(F)cc2)c(Cl)c1 433398567 LUBISHFFJRUQBM-UHFFFAOYSA-N 285.705 3.781 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 435078793 UZQGYHQSGWYTMM-YOEHRIQHSA-N 296.414 3.675 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCc2c(C)cccc21 436311353 WYSXVVUMTOPGEA-WBAXXEDZSA-N 271.404 3.553 30 20 CHED C=CC[C@H](C)NC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 437444582 GBSHWKFZEDOCMO-SDDRHHMPSA-N 292.345 3.619 30 20 CHED CCO[C@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)C(C)C 348506727 GAOJOIPRWKOKNE-CQSZACIVSA-N 294.782 3.601 30 20 CHED CC(C)CN1CCC[C@@H](CN[C@H](C)c2ccc(C#N)cc2)C1 245931412 SLYBXCWGTJQQCV-AEFFLSMTSA-N 299.462 3.577 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(C(C)C)[nH]n1)c1ccccc1 435405232 LHMUSKUPJJSOPL-OAHLLOKOSA-N 297.402 3.970 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CSc3ccccc31)CCC2 344632685 UDKZAJDSNXYJOB-OAHLLOKOSA-N 293.395 3.701 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc2cc(F)ccc2o1 435752229 WVTWAQNKMMWVEX-SJKOYZFVSA-N 289.350 3.643 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2cnccc2C#N)CC1 345363582 CYPUFMSMNWTOLI-HUUCEWRRSA-N 299.418 3.678 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cccc2ccccc12 538194074 FWCJYZDLSWHUSP-GJZGRUSLSA-N 269.388 3.675 30 20 CHED C[C@H]1Oc2ccccc2[C@@H]1Nc1cccc(F)c1C#N 341054626 YGFAWZKHBLAJHI-QLJPJBMISA-N 268.291 3.631 30 20 CHED N#CC1(CN2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 343312775 CVILAVXVHLMZAG-YHUYYLMFSA-N 258.409 3.581 30 20 CHED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 609579378 DTEUEOHJJXXEDG-MNOVXSKESA-N 290.432 3.975 30 20 CHED CC[C@@H](NC[C@H](C)CCC#N)c1cc(F)ccc1F 602550355 AXZVIEDIMHOFJA-IAQYHMDHSA-N 266.335 3.945 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 439375742 JGNVCZHVMSYJOX-GFCCVEGCSA-N 291.351 3.688 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 522995750 GIDXAKXEBSOTEO-KBPBESRZSA-N 294.354 3.816 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCC(C)(C)C1 432043290 RNINYPORJXWEAQ-CQSZACIVSA-N 285.391 3.909 30 20 CHED C=CCc1ccccc1OCc1nncn1-c1ccccc1 435797572 FKXHANCPMFQGII-UHFFFAOYSA-N 291.354 3.575 30 20 CHED Cc1ccc(N=Cc2ccccc2O)cc1C(=O)NC(C)C 255842778 HETOMYXZUWHNEL-UHFFFAOYSA-N 296.370 3.589 30 20 CHED CCc1nc2ccccc2n1N=C/C=C/c1ccco1 606375865 GUPAVCLCIAMGBJ-UQIMTBAFSA-N 265.316 3.739 30 20 CHED C=CCCCC(=O)Nc1nc2cccc(Cl)c2[nH]1 342401561 MHBKQVDRSYGVJS-UHFFFAOYSA-N 263.728 3.511 30 20 CHED C[C@@H](CCC#N)CN[C@H](c1ccccc1)c1nccs1 602535699 XWTPDNQZBSKQMK-DZGCQCFKSA-N 285.416 3.762 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1C[C@H]1c1cccc(F)c1)CCC2 432932925 RGCPLWAWPBFJEQ-DOTOQJQBSA-N 293.345 3.549 30 20 CHED CCS[C@H]1CCC[C@@H](Nc2nccc(C)c2C#N)C1 343536872 SVLIVLUHRDLLOH-OLZOCXBDSA-N 275.421 3.738 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cccc(N2CCCC2=O)c1 343463676 MQPJRJYCLKSIGE-ZBFHGGJFSA-N 286.419 3.819 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 433984201 PJWCEADYPUEEEF-GJZGRUSLSA-N 298.292 3.579 30 20 CHED CCc1ccc(C=NOCc2cnc(C)s2)cc1 255729294 ANGWFFOAEZMIHK-UHFFFAOYSA-N 260.362 3.565 30 20 CHED Cc1nsc(N2CC=C(C(C)(C)C)CC2)c1C#N 342705927 VZFNDLVDQSRCBB-UHFFFAOYSA-N 261.394 3.506 30 20 CHED N#Cc1ccc(N[C@@H]2CCSc3ccccc32)nc1 42847948 GEMBWWPQBCFLGH-CYBMUJFWSA-N 267.357 3.602 30 20 CHED N#CCN(C(=O)/C=C\Sc1ccccc1)C1CCCC1 255657704 CZHFAQCAAOHLNM-RAXLEYEMSA-N 286.400 3.587 30 20 CHED COCc1cccc(NC2CCC(C)(C#N)CC2)c1 449042184 QQYHXKVEXJLHQS-UHFFFAOYSA-N 258.365 3.717 30 20 CHED C=CC(C)(C)C(=O)NCCCc1cccc(C(F)(F)F)c1 448795789 BXYOPXQBSDYOKI-UHFFFAOYSA-N 299.336 3.966 30 20 CHED Cn1c(S[C@H](C#N)C2CC2)nc2cc(Cl)ccc21 601076214 KEVNEXLRCOQHMQ-GFCCVEGCSA-N 277.780 3.621 30 20 CHED C[C@H](CCC#N)CN[C@H](Cc1ccccc1)C1CC1 602555408 HLVMOGNURYIGPQ-RHSMWYFYSA-N 256.393 3.537 30 20 CHED CCOC(=O)C[C@@H](C)S[C@H](C#N)CCc1ccccc1 601076179 FWMAATOGXPKCQG-HIFRSBDPSA-N 291.416 3.586 30 20 CHED N#Cc1ncccc1NCCCSc1ccc(F)cc1 357307576 VBVUDQNPFVYRFS-UHFFFAOYSA-N 287.363 3.687 30 20 CHED C=CCc1cc(/C=C\C(=O)c2ccc(C)o2)cc(OC)c1O 255084224 SPQWPGMZIKGYDP-FPLPWBNLSA-N 298.338 3.927 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@](C)(CC)C1 537268138 OBESVHZKWSTCAT-HOCLYGCPSA-N 266.429 3.953 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N(CC#N)c1ccc(F)cc1C 602386302 IRPSIDROFZOJBU-YPMHNXCESA-N 276.355 3.673 30 20 CHED CC[C@@H](C)CCC(=O)Nc1cc(C#N)ccc1NC1CC1 355662176 YLQSXSFSBXZMQC-GFCCVEGCSA-N 285.391 3.897 30 20 CHED CCC(C)(C)c1ccc(NC(=O)N[C@@H](C)CC#N)cc1 448121427 GPNCXAZQYWSPTG-LBPRGKRZSA-N 273.380 3.798 30 20 CHED C=CCN(C(=O)CCC(C)(C)c1ccccc1)C1CC1 536821365 MLWRWYQKQBBACS-UHFFFAOYSA-N 271.404 3.921 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1cncc2ccccc12)C1CC1 355579948 FBHNNEOVKGJQDW-AWEZNQCLSA-N 294.398 3.590 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)NCC(C)(C)CCC#N 358743527 VKGNHRVJMZKXIZ-UHFFFAOYSA-N 281.444 3.830 30 20 CHED N#Cc1ccccc1SCc1noc(C2CCC2)n1 600524150 DKEZORSTIVWULF-UHFFFAOYSA-N 271.345 3.501 30 20 CHED CC[C@H](Nc1cccc(C#N)n1)c1ccc(OC)cc1 267248528 TZPIRJBASACPSV-HNNXBMFYSA-N 267.332 3.525 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CCC[C@H]1C)c1ccccc1 534628768 RADOKIGZJZOHDM-INMHGKMJSA-N 271.404 3.899 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cc(C)nc(N2CCCC2)c1 353662445 RJIUDRKJGDGYIN-HOCLYGCPSA-N 287.451 3.681 30 20 CHED C=C[C@@H](C)NC(=O)c1c(-c2ccccc2)oc(C)c1C 444237645 NJPVZCGDBUEPRH-LLVKDONJSA-N 269.344 3.868 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)CC1CCCCC1 446982781 IMNYUBZPJZIFSZ-AWEZNQCLSA-N 266.429 3.953 30 20 CHED C=CCN(CCc1ccccc1)Cc1nc(C)sc1C 443629466 HUBAEDONJXFFIK-UHFFFAOYSA-N 286.444 3.991 30 20 CHED Cc1ccsc1CN=c1c(C#N)c[nH]c2c(C)cccc12 610274267 FTNDNZMEBBKPRG-UHFFFAOYSA-N 293.395 3.819 30 20 CHED CC[C@@H](C)CN(C)Cc1c(C#N)c(C)nn1-c1ccccc1 611347264 UJEQQGBENMHGDB-CQSZACIVSA-N 296.418 3.530 30 20 CHED C=CCCCNC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 448029166 GFGNBNXGXWLORU-NWDGAFQWSA-N 292.345 3.621 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)NCC(C)(C)CCC#N)C1 358678695 FEIGOIMNDDSOFZ-UONOGXRCSA-N 279.428 3.536 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)ccc1Cl 539783932 XXYXWVITVMTLAW-IAQYHMDHSA-N 288.778 3.616 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccco1 610169593 MWJCUOMSBWVKDN-SECBINFHSA-N 274.707 3.547 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@H](C)c1cc2ccccc2o1 533877212 ZPWAXINYHIGSFE-FZKQIMNGSA-N 298.386 3.981 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N(C)C(C)(C)CC 619591423 CXBCYBOUTXCDED-UHFFFAOYSA-N 299.418 3.787 30 20 CHED C=CCN(CC=C)C(=O)NC[C@@H](c1ccccc1)C1CC1 458797960 SCCXYESDEYUBGN-KRWDZBQOSA-N 284.403 3.564 30 20 CHED CC(C)(C)c1ccccc1C(=O)Nc1cc(CC#N)ccn1 533233150 XVMZILCXAGUNLV-UHFFFAOYSA-N 293.370 3.697 30 20 CHED Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)cc(C(F)(F)F)c1 617032323 BOWJCUFIXWNNGB-JTQLQIEISA-N 299.296 3.637 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 455307796 IZBOTEWAWSVBIE-RDJZCZTQSA-N 286.419 3.615 30 20 CHED CCc1cnccc1[C@@H](C)NCCCC(C)(C)C#N 361118282 AVRLVWBZNMJEIB-CYBMUJFWSA-N 259.397 3.625 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C2CC2)cc1 614133755 QOJUEUNUVSJIGN-MRXNPFEDSA-N 255.361 3.745 30 20 CHED CC[C@H]1C[C@]1(NCC1(C#N)CCC1)c1cccc(C)c1 450922625 OHJUSCFTIRTNCY-MAUKXSAKSA-N 268.404 3.904 30 20 CHED C=CC(C)(C)CNC(=O)CSCc1cccc(C)c1 452779434 SVHBQYXCXVGUHW-UHFFFAOYSA-N 277.433 3.557 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1F 362298118 SQZJKEJGGLHPJY-CABCVRRESA-N 298.292 3.579 30 20 CHED CO[C@]1(C)C[C@@H](N(C)Cc2ccc(C#N)cc2C)C1(C)C 614402366 VLAXEZLIKYENCA-SJLPKXTDSA-N 286.419 3.502 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)NCC(C)(C)CC#N)c1 458368858 RGCFHLDEHUECBR-AWEZNQCLSA-N 287.407 3.604 30 20 CHED C[C@H](C#N)C(=O)N(CCCc1ccccc1)c1ccccc1 457202695 KFQYQXSJNTWCSN-MRXNPFEDSA-N 292.382 3.812 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 545876147 XESCBCACILIRCX-QLFBSQMISA-N 292.810 3.850 30 20 CHED Cc1cc(CN2CCC[C@H](c3ccncc3)C2)ccc1C#N 451008235 WPSXEIWRXPUJAB-IBGZPJMESA-N 291.398 3.641 30 20 CHED C=CCN(C(=O)c1ccc(-n2cc(C)cn2)cc1)C(C)(C)C 622943506 FGKDFUANMCALQY-UHFFFAOYSA-N 297.402 3.607 30 20 CHED C=C(C)CCNC(=O)c1c(-c2ccccc2C)noc1C 452719957 VAFUTEGPNPMCRC-UHFFFAOYSA-N 284.359 3.654 30 20 CHED C=CC(C)(C)CNC(=O)Cc1cccc(C(F)(F)F)c1 452780409 XLIQKSQYIJTEDE-UHFFFAOYSA-N 285.309 3.576 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 455575356 BOAAGGQVWSHBGQ-DZGCQCFKSA-N 292.810 3.804 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 278791737 WPNWJPOKFMRQJS-JKSUJKDBSA-N 272.392 3.540 30 20 CHED C=C(CC)CNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 456822473 AZUWMEBJAHPXEU-CVEARBPZSA-N 257.377 3.653 30 20 CHED Cc1c(Cl)cccc1NC(=O)CC(C)(C)C#N 278229776 KDXWQQGADUCFMJ-UHFFFAOYSA-N 250.729 3.527 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)CSc1ccc(F)cc1 456809921 CYAUDPJEDVDSGA-LBPRGKRZSA-N 281.396 3.636 30 20 CHED C[C@@H](CCc1ccco1)N[C@@H](C)c1ccc(C#N)c(F)c1 271969675 WLZGPBKMQBDLTC-STQMWFEESA-N 286.350 3.962 30 20 CHED CCc1ncc(CN(Cc2ccc(C#N)cc2)C2CC2)s1 271048010 NCBXVZGOTVJSPM-UHFFFAOYSA-N 297.427 3.742 30 20 CHED CCC(CC)c1noc(-c2cccc(CC#N)c2)n1 273820862 JBLRVDIMUAFWQP-UHFFFAOYSA-N 255.321 3.706 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(C)c(F)c2)no1)OCC 270076546 YWQSOFIOJCQLMH-AWEZNQCLSA-N 290.338 3.708 30 20 CHED Cc1cnc([C@@H](C)CNc2ccc(Cl)c(C#N)n2)s1 273297698 LLESBVDHXZCDTC-QMMMGPOBSA-N 292.795 3.587 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1/C=C/c1ccccc1 371648395 ZBNCVBQESOWJOS-JKGDOXCYSA-N 296.414 3.677 30 20 CHED N#CC1(CCCSc2cccs2)CCOCC1 281011405 OQDFYEWPCRZHTM-UHFFFAOYSA-N 267.419 3.941 30 20 CHED N#CC1(C(=O)Nc2ccc3ccc(Cl)cc3n2)CCC1 282447839 VHQPWPIYTRMBBV-UHFFFAOYSA-N 285.734 3.521 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 466153149 HRPBYTTZDASVBZ-INIZCTEOSA-N 288.435 3.842 30 20 CHED C[C@@H](CNc1c(Cl)cccc1C#N)N1CCC[C@@H](C)C1 462781263 XRXBBBGOASOSCL-OLZOCXBDSA-N 291.826 3.744 30 20 CHED CCC[C@@]1(C)CCCN(c2nc(C)cc(C)c2C#N)C1 463070331 ZJDGBQSDSMTYPJ-KRWDZBQOSA-N 271.408 3.977 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2cc(C#N)oc2C)c1C 280755304 YGFARLIKRSKHTI-GFCCVEGCSA-N 282.343 3.568 30 20 CHED CSCc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 285567761 GKGNGEVDQUUALX-HOTGVXAUSA-N 274.433 3.722 30 20 CHED CC#CCCCC(=O)Nc1n[nH]c(C)c1-c1ccccc1F 630024311 MGFXWYMVIGVNMU-UHFFFAOYSA-N 299.349 3.656 30 20 CHED C=CCCC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 634299826 CCFQKQQCQNOENB-UHFFFAOYSA-N 291.700 3.941 30 20 CHED CC[C@H]1CC[C@H](C(=O)N2CCc3ccc(C#N)cc32)CC1 474260468 UPWGCYFZHYHSLA-SAZUREKKSA-N 282.387 3.664 30 20 CHED CCCC(CC)=NN[C@@H](C)CCc1ccc2c(c1)OCO2 802714026 BSAIYWRCLSLQMJ-ZDUSSCGKSA-N 290.407 3.892 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H](c3cccc(F)c3)C2)n1 552192192 IJACYHIPLBKRTB-HNNXBMFYSA-N 295.361 3.703 30 20 CHED C[C@@H]1/C(=C/c2cc(C(=O)O)cs2)C(=O)c2ccccc21 809157534 UAZVTEMOVFMOEN-VUPJLDGMSA-N 284.336 3.830 30 20 CHED C[C@H]1/C(=C/c2cccc3c2OCO3)C(=O)c2ccccc21 809159392 OQHARSXHAMFSBM-PDICVPPASA-N 278.307 3.799 30 20 CHED CCCCCCCCC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3OC 804383248 RNZJVJMGGDTUSB-ONMISFSYSA-N 293.451 3.619 30 20 CHED CSC1(C=NNc2c(F)cccc2Cl)CC1 800815497 BIRJCVLTYITBLK-UHFFFAOYSA-N 258.749 3.772 30 20 CHED C#CCCCCC(=O)OCCOc1ccc(SC)cc1 805522581 CKRBIFPEUFVSRZ-UHFFFAOYSA-N 292.400 3.524 30 20 CHED N#C[C@]1(C(=O)N2CCCc3ccc(F)cc32)CC12CCCC2 298661212 XARKSAYZTFJLNI-SFHVURJKSA-N 298.361 3.579 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2cnccc2C#N)CC1 563739153 LSJVNDGUNQFLEJ-LJQANCHMSA-N 291.398 3.901 30 20 CHED C=CCOCCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 293658470 TTZGFKQQTCRWAV-HNNXBMFYSA-N 298.386 3.727 30 20 CHED CC(C)CCCOC(=O)c1cc(C#N)ccc1Cl 803832868 JMZQEWWJUFZIPQ-UHFFFAOYSA-N 265.740 3.805 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(C(=O)C#Cc2ccccc2)C1 804779406 BUYATFKJFUFDED-QFBILLFUSA-N 289.378 3.648 30 20 CHED C[C@@H](C#N)OCCOc1ccc2oc3ccccc3c2c1 802724608 GCFUWMAMCGTKDM-LBPRGKRZSA-N 281.311 3.893 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1nccnc1C1CCC1 807992254 BOEQDZXQXOYOLF-OCCSQVGLSA-N 272.396 3.968 30 20 CHED C=CCC1(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CCC1 478059312 BAYWSTYRJDXUIB-QPSCCSFWSA-N 261.409 3.674 30 20 CHED CCSc1cccc(-c2noc(CSCC#N)n2)c1 292906947 CNFAWYNYSRCVDN-UHFFFAOYSA-N 291.401 3.605 30 20 CHED C=CCCCCCCNC(=O)N(CC(C)(C)C)OC 807573060 ZGWRLPYNTYSEMN-UHFFFAOYSA-N 270.417 3.742 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)C[C@H](C(=O)O)c2ccccc21 806562835 POSYDIPDWBLNQZ-YHVDPYDOSA-N 296.297 3.664 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)ccc1OC(C)C 568451280 PXGHJKQSXRLGEQ-UHFFFAOYSA-N 282.771 3.825 30 20 CHED CC(C)[C@H]1CCCC1=NNc1nccnc1C1CCC1 807993101 UFRZQRXATSGIOQ-CYBMUJFWSA-N 272.396 3.968 30 20 CHED Cc1ccccc1[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(C)C 471590197 VFKBLYJHYMRRMN-BFYDXBDKSA-N 256.393 3.974 30 20 CHED CCCOc1ccc(CNCC(C)(C)CC#N)cc1 568483217 MKQOOCFQSMPKRI-UHFFFAOYSA-N 260.381 3.505 30 20 CHED C=CCOCCCN1CCCC[C@H]1Cc1ccccc1 470771108 CIHLDMZMTJVMJA-SFHVURJKSA-N 273.420 3.676 30 20 CHED C#C[C@H](C)NCc1cccc(OCc2ccccc2F)c1 809684026 XXZLSDYJKDPENQ-AWEZNQCLSA-N 283.346 3.516 30 20 CHED C=CCOCCCN(C)[C@@H](C)c1ccc(Cl)cc1 470727324 SGBDIOOXNCDTKV-ZDUSSCGKSA-N 267.800 3.926 30 20 CHED CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1 397657408 DTIODXONESLGCJ-AWEZNQCLSA-N 284.403 3.750 30 20 CHED C=CCOc1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1 647499601 YJNCKLZOFXQQFY-SJORKVTESA-N 299.414 3.902 30 20 CHED C=CC(C)(C)C(=O)NCCC(C)(C)c1ccccc1 648188947 YOXBFGJLSARSPN-UHFFFAOYSA-N 259.393 3.683 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccccc1C#N 814836122 IUXMCSQMXZGUEV-UHFFFAOYSA-N 286.338 3.943 30 20 CHED Cc1csc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1 647380090 INVNSKMODVJNCL-JTQLQIEISA-N 288.397 3.881 30 20 CHED CCC(C=NNc1cncc(Cl)n1)(CC)CC 814797506 KGMITPFQEGTDRH-UHFFFAOYSA-N 254.765 3.744 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1nccc2ccccc12 811698084 HNZGARLCUIVZJQ-FPLPWBNLSA-N 291.354 3.908 30 20 CHED C=CCOc1ccc(CN2CCC(C)=C(C)C2)cc1OC 482461764 UBEJWWBGKQZRSZ-UHFFFAOYSA-N 287.403 3.802 30 20 CHED COCc1ccccc1/C=C(/C)C=NOCc1cccnc1 814225143 QCIVWUZMDOIEPY-FXKOSGSBSA-N 296.370 3.834 30 20 CHED CC1(C#N)CCN(Cc2ccc3ccccc3c2O)CC1 816566516 XYQGDGVDLLEYQT-UHFFFAOYSA-N 280.371 3.671 30 20 CHED CC(=NNCCC(C)(C)C)c1ccc(Cl)c(N)c1 814901659 SQRBIMMBEAESOK-UHFFFAOYSA-N 267.804 3.672 30 20 CHED C=CCCCCCCCNc1ccc2nnc(CC)n2n1 811847819 FWPWNRNQFLOMLF-UHFFFAOYSA-N 287.411 3.625 30 20 CHED C=C[C@@H]1CCCCN1c1nc(CC)nc2sccc12 486484430 HJEZEACVCPUOIX-LLVKDONJSA-N 273.405 3.799 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)c1ccc(Cl)cc1F 812573748 RMOLWNAKZIHEJC-WDBKCZKBSA-N 293.769 3.706 30 20 CHED Cc1sc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c(C#N)c1C 574992271 BZJAKIKELIUMMU-NWDGAFQWSA-N 274.389 3.611 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 488540107 GOMRESTURZCIQP-CQSZACIVSA-N 290.382 3.681 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnccc1C(F)(F)F 653735276 USLFCWCYXSVDNZ-SNVBAGLBSA-N 286.297 3.575 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(OC)ccc1Cl 815312636 DAJLHKGCOKDPMX-UHFFFAOYSA-N 290.693 3.603 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1F 488834069 WTOYFHMSSWOSMJ-VIFPVBQESA-N 285.721 3.799 30 20 CHED Cc1ccc(C(=O)N2CC(C3CCCCC3)C2)cc1C#N 819009066 BDGFOWBAEHWKMB-UHFFFAOYSA-N 282.387 3.519 30 20 CHED C=CCCCC[C@@H](C)NCc1c(C)nn(CC)c1C 573911529 XNWCFRXPFOBMMK-CYBMUJFWSA-N 263.429 3.744 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H](C)[C@@H]1CCC 488757564 ZKQADYRLOAMNIS-GJZGRUSLSA-N 274.408 3.715 30 20 CHED Cc1c(NN=C2CS[C@H](C(C)C)C2)cccc1[N+](=O)[O-] 814834636 OWPNOLHLCOULLT-AWEZNQCLSA-N 293.392 3.833 30 20 CHED COc1cc(Cl)ccc1C(C)=NNCCC(F)(F)F 817328153 YOKNGTHULDXUAK-UHFFFAOYSA-N 294.704 3.615 30 20 CHED CCCC(=NN[C@H](C)c1ccccc1)c1cccnc1 814814893 DKJAOYYYNMZILM-CQSZACIVSA-N 267.376 3.937 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)Cn1ccc2ccccc21 489772488 UNCLISMWUQOZMQ-HNNXBMFYSA-N 298.430 3.996 30 20 CHED C[C@@H](C#N)Oc1ccc(C=NNc2ccccc2F)cc1 727683216 FUHCIFJWLYBJFT-LBPRGKRZSA-N 283.306 3.563 30 20 CHED Clc1ccc(CNN=Cc2cccnc2Cl)cc1 814875773 WGVNJSUFZNTJIQ-UHFFFAOYSA-N 280.158 3.512 30 20 CHED CCc1cnc(C=NNc2cc(F)c(F)c(F)c2)s1 814864108 PFBRYTMYLUKVAR-UHFFFAOYSA-N 285.294 3.569 30 20 CHED C[C@H]1C[C@@H](C(=O)NCCc2cccc(C#N)c2)CC(C)(C)C1 579862224 OOIZJBOTYUXHTP-WMLDXEAASA-N 298.430 3.679 30 20 CHED C#CCCOC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 727042294 ZATWGQMUIBYKMF-HNNXBMFYSA-N 295.382 3.894 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)c1ccc(C#N)s1 487774615 XKWYZYUGDYXWLT-VXGBXAGGSA-N 290.432 3.954 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc3oncc3c2)c(F)c1 821028227 QRKCTOPMXQXERM-QHHAFSJGSA-N 297.285 3.872 30 20 CHED N#CCCC1CCN(Cc2ccc(F)c3cccnc23)CC1 575864908 ATWPDRCKJAKECU-UHFFFAOYSA-N 297.377 3.890 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CCSC1 495092016 LEVDBROKKUZCGB-KRWDZBQOSA-N 288.460 3.769 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)/C=C\c1ccc2ccccc2n1 588470679 IMDJPZFMIURPCD-SNGWPZLWSA-N 294.354 3.729 30 20 CHED CC1CCC(=CC(=O)OCc2ccc(F)cc2C#N)CC1 734202587 FDIBNDZSCWWYLU-UHFFFAOYSA-N 287.334 3.877 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc2nc(C3CC3)sc2c1 491494435 CKNDAQRTGBGGQY-JTQLQIEISA-N 299.399 3.659 30 20 CHED C=CCCC[C@H](NCC1CCC(C(C)C)CC1)C(=O)O 900069336 YDCSPSXWPUZZPL-GPANFISMSA-N 281.440 3.848 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)cc2C)C1 665952414 PJEUSXWQDVRSPL-CQSZACIVSA-N 288.391 3.824 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1nccc(C)c1C#N 491598381 GAQZXCMTUHTJSJ-KAMYIIQDSA-N 277.371 3.801 30 20 CHED O=C(/C=C\c1cccc(Cl)c1)c1csc(C(=O)O)c1 730148928 QABWRBUKNHECPH-PLNGDYQASA-N 292.743 3.996 30 20 CHED CCCc1ccc(/C=C2\CCn3ccnc3C2=O)cc1 901539696 TZKFHEGINOLMFV-NTCAYCPXSA-N 266.344 3.506 30 20 CHED C=C(C)CN(C)C(=O)NCc1cccc(SCC)c1 494464167 PGZWHJRZEWAJAV-UHFFFAOYSA-N 278.421 3.516 30 20 CHED C=C(Cl)COC(=O)C[C@H](C)Cc1ccccc1OC 730653312 FKDGDMCFRDZVGD-LLVKDONJSA-N 282.767 3.560 30 20 CHED C=CCC1(CN[C@@H]2CC[C@H](CC(=O)O)[C@@H]2C)CCCC1 902267249 GCAKQMJXXNBJKM-RRFJBIMHSA-N 279.424 3.602 30 20 CHED CSC(C)(C)CNc1c(Br)cccc1C#N 1162631429 HWWVKHJHMKOFEP-UHFFFAOYSA-N 299.237 3.874 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 588489144 YGFGHAYWRGWERY-DAXSKMNVSA-N 289.312 3.561 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccccc1O[C@H](C)C#N 839322097 RORRZJDUOXRNBE-KGLIPLIRSA-N 288.391 3.988 30 20 CHED CCC(CC)NN=Cc1cc(Br)cs1 734366239 JRAUXHSYLWLNHK-UHFFFAOYSA-N 275.215 3.623 30 20 CHED Cc1ncc(C(=O)OCC2(C#N)CCC2)c(Cl)c1Cl 837600192 NFPUMSOZEQVSSN-UHFFFAOYSA-N 299.157 3.548 30 20 CHED C=CCCCS[C@H](C)c1ccc(-c2nn[nH]n2)cc1 735413219 QDUDRERNWMWPNM-LLVKDONJSA-N 274.393 3.627 30 20 CHED CC[C@H](NC[C@@]1(C)CCO[C@H]1C1CC1)c1cccc(C#N)c1 902957164 QXHNMKNJTGCMOD-GBESFXJTSA-N 298.430 3.804 30 20 CHED Cc1ccc(F)c(C=NNc2nc(-c3ccccc3)no2)c1 734980260 QHMHDZFDTLWZHH-UHFFFAOYSA-N 296.305 3.630 30 20 CHED Cc1ccc(F)c(/C=C2/Cc3ccccc3C2=O)c1 734981336 QOZIIZVYTXSHSS-UVTDQMKNSA-N 252.288 3.957 30 20 CHED C=CC(C)(C)CNC[C@H](O)Cc1ccc2ccccc2c1 580423244 KQDQJIWZFFTKPQ-GOSISDBHSA-N 283.415 3.545 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(C(=O)O)cc1 832977221 FDOIXSZLLFUZOX-KHPPLWFESA-N 266.296 3.589 30 20 CHED S=C(NN=C1CCC[C@@H](C2CC2)C1)NC1CCCCC1 737416787 FUJUQEZKGFPEFR-CYBMUJFWSA-N 293.480 3.739 30 20 CHED CC(C)OCCCC(=O)Nc1cc2ccccc2cc1C#N 839436152 TYTXAUUZKDXXRZ-UHFFFAOYSA-N 296.370 3.855 30 20 CHED COCCCOc1ccc(-c2ccc(C#N)c(OC)c2)cc1 596644333 CYOXQSDWNUHZPX-UHFFFAOYSA-N 297.354 3.649 30 20 CHED CCC(=NNc1ncc(Cl)cc1Cl)[C@@H]1CCOC1 741836199 BKSIHCRLDRIGJI-MRVPVSSYSA-N 288.178 3.603 30 20 CHED C=CCOCCCN(C)[C@H](CC)c1ccccc1OC 672577856 LFVWWZDBBYJVRG-MRXNPFEDSA-N 277.408 3.671 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCOC(C2CC2)(C2CC2)C1 595822312 QLVRQTGLQUAAOL-AWEZNQCLSA-N 296.414 3.510 30 20 CHED CNC(=O)c1ccc(-c2cccc(C3(C#N)CC3)c2)cc1C 596638538 KKSFNJNYKNTLNY-UHFFFAOYSA-N 290.366 3.577 30 20 CHED N#CC[C@@H]1CCCN(C(=O)C2(Cc3ccccc3)CCC2)C1 597907466 BFZCXWMNVGZVTR-KRWDZBQOSA-N 296.414 3.552 30 20 CHED CC(C)(C)SCCSc1ccnc(C#N)c1 912097311 JZXIYBYEGPAPHN-UHFFFAOYSA-N 252.408 3.577 30 20 CHED Cc1cccc2ncc(/C=C/C(=O)c3ccc(F)cc3)n12 748994589 PABYJERDCRZLHI-MDZDMXLPSA-N 280.302 3.678 30 20 CHED N#CC[C@@H]1CCCN([C@H]2CCCc3ccc(F)cc32)C1 595619492 BZGCITHTBIXESM-GUYCJALGSA-N 272.367 3.829 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C(C)C 745874840 FVRKXZFTAKTSLY-RBSFLKMASA-N 264.413 3.561 30 20 CHED CC[C@@H](C#N)C(=O)NCCc1cccc(-c2ccccc2)c1 593529280 BJXUNOGRVGPKBH-INIZCTEOSA-N 292.382 3.562 30 20 CHED C(=NNc1cccc2c1CCCC2)c1c[nH]c2ncccc12 741761467 DXRJUOBBHFBAQQ-UHFFFAOYSA-N 290.370 3.888 30 20 CHED C[C@@H]1CN(c2nc(C#N)c(Cl)s2)[C@@H]1c1ccccc1 596144015 ZQWVPLLOMSQVFC-SKDRFNHKSA-N 289.791 3.866 30 20 CHED CCC(C#N)(CC)C(=O)NCC(C)(C)c1ccccc1F 599244001 XJAHGGCKXLGLSL-UHFFFAOYSA-N 290.382 3.549 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H]([C@@H]2CCCCO2)C1 595784878 CEELIBHWNWTDEU-IRXDYDNUSA-N 292.467 3.988 30 20 CHED C=C(CNC(=O)C[C@H]1CCc2ccccc21)c1ccccc1 672479342 NITXHNAMUFBAKX-GOSISDBHSA-N 291.394 3.936 30 20 CHED CCCOc1ccc(C/N=C\c2cccc(O)c2O)cc1 915983095 PSQUJTNUHYYJLE-PDGQHHTCSA-N 285.343 3.506 30 20 CHED CC(C)CC(=NNc1cncc(Cl)n1)c1ccccc1 914560356 ZTVIAQCVWFRJST-UHFFFAOYSA-N 288.782 3.992 30 20 CHED CCc1cccc2cc(CN[C@@H]3CC[C@H](C#N)C3)oc12 594950428 KZDVNTZXROLTER-SWLSCSKDSA-N 268.360 3.777 30 20 CHED CC[C@H](C)C(C)=NNc1nc2cc(F)c(F)cc2[nH]1 912817698 DNIWGVJPDGHFNT-ZETCQYMHSA-N 266.295 3.675 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/C=C\c2ccccc2)s1 746683867 HMSDEDVGIBUURB-MVTUOISNSA-N 284.336 3.899 30 20 CHED C=C[C@@](C)(O)CC(=O)N(CC(C)C)c1ccc(C)cc1C 846299007 FNVJTGSDACAAJJ-GOSISDBHSA-N 289.419 3.620 30 20 CHED CCCCCCCCCCC(=O)N(C)c1cnn(C)c1 741953433 AVSOSBGXZUGFDE-UHFFFAOYSA-N 279.428 3.914 30 20 CHED CC(=NNCc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1cccs1 841631518 ZOERTMXMFLYRRC-JKSUJKDBSA-N 295.411 3.889 30 20 CHED CCN(CC)CCCSc1cccc(F)c1C#N 594898135 UCCGLXWYWSCIBW-UHFFFAOYSA-N 266.385 3.521 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cc2ccncc2s1 595051203 LHADVJUAPMWGSE-NSHDSACASA-N 273.405 3.887 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1S[C@H](C)CC#N 593454873 NODGVEJPFWVPLC-NEPJUHHUSA-N 287.388 3.569 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@H](C3CCCCC3)C2)C1 595881905 XNVOIIFNPHTOPZ-HYVNUMGLSA-N 260.425 3.971 30 20 CHED CC[C@@H](C)CCCCC(=O)N1CCC[C@@H](CC#N)C1 597906333 WWEQJYAEEGDZJY-CABCVRRESA-N 264.413 3.745 30 20 CHED Cc1ccc(CN2CCC[C@H](CC#N)C2)cc1Cl 597177606 QERMKNSDAIPEOR-CYBMUJFWSA-N 262.784 3.774 30 20 CHED CC(C)c1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cn1 928619863 XTZHSEXCIMXLNN-KRWDZBQOSA-N 283.375 3.618 30 20 CHED C#CCN(C(=O)Nc1cccc(Cl)c1C)C(C)C 929147168 VVPSPGHKHFLTGN-UHFFFAOYSA-N 264.756 3.524 30 20 CHED CC/C(C)=C/C(=O)N(CC#N)c1ccc(Cl)cc1 843611671 RAAALTSZCSZWBU-ZHACJKMWSA-N 262.740 3.553 30 20 CHED COc1cc(C)cc2c1OC/C(=C\c1ccc(F)cc1)C2=O 920389016 FVPPAAKSGLSSJY-UKTHLTGXSA-N 298.313 3.801 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1c(C)cccc1C)OCC 756481294 IRWBVTQTEOUXER-CQSZACIVSA-N 262.349 3.580 30 20 CHED C[C@H]1CCCC[C@H]1CON=C1CCC2(CC1)OCCO2 853654146 PPLDDAVSCLOISZ-KBPBESRZSA-N 281.396 3.502 30 20 CHED C[C@H]1CC(=NNC2CCOCC2)C[C@@H](c2ccccc2)C1 757599816 WSSKZLPAZQIVGM-ZBFHGGJFSA-N 286.419 3.715 30 20 CHED COc1cccc(NN=Cc2cnc(C(C)(C)C)s2)c1 920373236 VYCOKVXNXNJCDK-UHFFFAOYSA-N 289.404 3.895 30 20 CHED C=CCCN(C)C(=O)c1ccc(-c2ccco2)s1 682428842 SCGYMEDHGWMLNH-UHFFFAOYSA-N 261.346 3.656 30 20 CHED C#CC[C@H](NC(=O)OCCC(C)C)c1ccccc1 859081472 PEPBKGAKKKINIE-HNNXBMFYSA-N 259.349 3.523 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(Cl)nc1)O2 759116501 APFJEOXTAFDGCV-AUWJEWJLSA-N 285.730 3.968 30 20 CHED C=CCNC(=S)N[C@H](c1ccccc1C)C(C)(C)C 751037978 XORNYFGVSJKZAA-CQSZACIVSA-N 276.449 3.732 30 20 CHED N#Cc1ccc(F)c(C(=O)NC2CCCCCCC2)c1 854170465 XQJBZPWLOWCJKV-UHFFFAOYSA-N 274.339 3.540 30 20 CHED CCCCCCCCNC(=O)c1sccc1OC 754854484 OWFUXXNYAAYKAQ-UHFFFAOYSA-N 269.410 3.847 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1ccccc1C)OCC 756581585 WQKPYNZVBKUYGZ-GDBMZVCRSA-N 276.376 3.971 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1OCCCC 758585144 JWHGJXPHCFNDKC-UHFFFAOYSA-N 288.391 3.791 30 20 CHED O=C(/C=C\c1cccs1)c1cc(F)ccc1[N+](=O)[O-] 752876214 XAVWKNOIZSYZQU-XQRVVYSFSA-N 277.276 3.692 30 20 CHED CC1(C)CCC[C@@H](C=NNc2ncccc2[N+](=O)[O-])C1 752736049 YLSIYNZOEOHBND-LLVKDONJSA-N 276.340 3.604 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1ccccc1 750946388 QLJSWAWGEPMQRQ-UHFFFAOYSA-N 254.333 3.921 30 20 CHED C#CCN(CC)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C 751102509 JBWJLJCBWOYOLZ-INIZCTEOSA-N 286.419 3.747 30 20 CHED C#C[C@H](CC)NC(=O)N(CC)C[C@@H](CC)c1ccccc1 753244094 WXUGXHARQWJPES-NVXWUHKLSA-N 286.419 3.624 30 20 CHED CCCC1(C(=O)[C@H](C#N)c2nc(C)cs2)CCC1 759531897 OZBLVERYKCKWAX-NSHDSACASA-N 262.378 3.598 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)CC1CC(OCC)C1 851145083 VFPCHAIGRGDUAR-KNIAUWFNSA-N 280.408 3.870 30 20 CHED O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])Cc2ccccc21 750896223 OREPYAACQQJZOJ-HAVFLYGMSA-N 291.306 3.973 30 20 CHED C=C[C@H](CC(=O)OCC(=O)C(C)(C)C)c1ccccc1 758917112 YNHVYVKSZQZVAC-CYBMUJFWSA-N 274.360 3.505 30 20 CHED CCCCCCCN[C@H](CO)[C@@H](C)c1ccccc1 766972839 WADPVVJHOUNVGK-DOTOQJQBSA-N 263.425 3.711 30 20 CHED COc1cc(/C=C\C(=O)c2cscn2)ccc1SC 769258963 FZMCDOOCZWOOIV-HYXAFXHYSA-N 291.397 3.770 30 20 CHED C=CC1CCN(C(=O)Nc2cnccc2C(F)(F)F)CC1 864254409 OFIGPSVLLQTUTP-UHFFFAOYSA-N 299.296 3.530 30 20 CHED C#C[C@@H](CC)OC(=O)c1csc(-c2ccccc2C)n1 768047702 HMFWFEOWFJFGSJ-LBPRGKRZSA-N 285.368 3.687 30 20 CHED CC#CCCOC(=O)[C@H](C)CSc1ccc(F)cc1 760289807 PQZQILNUXMWWII-GFCCVEGCSA-N 280.364 3.511 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccccc1-c1ccccc1 766036281 HYMUDDDGQIBFEF-QXMHVHEDSA-N 288.350 3.983 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2cccc(F)c2[C@@H]1C 933271868 YVCVFPIZAXAUPX-QWHCGFSZSA-N 275.367 3.874 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cscn1 767899906 ACFIIIKOECSYRB-UHFFFAOYSA-N 259.378 3.904 30 20 CHED CCCCCCCn1cnc2sc(C)cc2c1=O 760325259 CPKAJJMUTFRYRP-UHFFFAOYSA-N 264.394 3.737 30 20 CHED C=C1CN(C(=O)Nc2ncc(C3CCCCC3)s2)C1 930774507 XNDUPRZXUCVKTB-UHFFFAOYSA-N 277.393 3.595 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(F)c(F)c1 764434171 MAMOWFDWWBGGMU-SNAWJCMRSA-N 280.295 3.931 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(O)c(Cl)c1 935020851 LAHRUXFRSMHTGM-SECBINFHSA-N 253.729 3.586 30 20 CHED C#CCCCCc1nc(-c2cc(C)cc(F)c2)no1 761596494 XXYUNAXDMSVNIG-UHFFFAOYSA-N 258.296 3.530 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2snc(Cl)c2C#N)C1(C)C 766111463 IPJYNQDQMIRUPM-UWVGGRQHSA-N 299.827 3.672 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2F)c(C)o1 767893391 OSVJGPZDIZCMBY-UHFFFAOYSA-N 250.248 3.621 30 20 CHED C[C@H]1CCC[C@H](C=NNc2nc3ccccc3n2C)C1 768360659 NVFLQHIKZKICPT-STQMWFEESA-N 270.380 3.797 30 20 CHED CCO[C@H]1CCCC1=NNc1cccc2cnccc12 766447157 MAIWYPLOGZWYTR-INIZCTEOSA-N 269.348 3.592 30 20 CHED CN(C(=O)C[C@H]1C=CCCC1)c1ccc(C#N)c(Cl)c1 876167890 ZGQKVYCXTLTKMM-LBPRGKRZSA-N 288.778 3.921 30 20 CHED C#CCN(C(=O)Nc1ccc(CC(F)(F)F)cc1)C(C)C 1119752681 BRTQNELPHQJGCD-UHFFFAOYSA-N 298.308 3.667 30 20 CHED COC[C@H](C)NN=C(CCc1ccc(Cl)cc1)C(C)C 777902945 OECFWAJBTCCXPM-ZDUSSCGKSA-N 296.842 3.909 30 20 CHED C=CCOc1cccc(NC(=O)/C(C)=C(\C)CC)c1 779863051 KFFBTPNGGYWHSI-OUKQBFOZSA-N 259.349 3.936 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cccc(NCC(C)(C)C)c1C 774539962 IXMZILLVVAHGHW-ZDUSSCGKSA-N 286.419 3.547 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccc(CC)o1 772986127 ADRUHOZSTOOBMH-AWEZNQCLSA-N 283.371 3.705 30 20 CHED COc1cc(C(=O)/C=C/c2ccc3c(c2)CCC3)ccc1O 1116131825 HWJXVMZJNZGAPN-RMKNXTFCSA-N 294.350 3.786 30 20 CHED COc1cc(CN(Cc2ccccc2)C2CC2)ccc1C#N 384426397 LOBIACJKXGCECM-UHFFFAOYSA-N 292.382 3.731 30 20 CHED O=C(O)c1cccc(/C=C2/Cc3c(Cl)cccc3C2=O)c1 774126204 GPPZBWLVDLSMHN-WQLSENKSSA-N 298.725 3.861 30 20 CHED Cc1ccc(C[C@H](C)C(=O)OCc2ccccc2C#N)cc1 778877818 VEYCYRVTHWKBCA-HNNXBMFYSA-N 293.366 3.789 30 20 CHED Cc1ccccc1C=NOCc1ccc(C#N)cc1C 776743719 SEKWIIIAUVBWSE-UHFFFAOYSA-N 264.328 3.726 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2ccccc2OC)cc1 776751497 BDTIHDLYSTVCMT-CQSZACIVSA-N 281.355 3.880 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c[nH]1 778524308 HPGKLHBIOCHCLZ-UHFFFAOYSA-N 287.322 3.806 30 20 CHED C#CC[C@@H](C)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 1122723031 KVNDYLBYNFCUTB-CHWSQXEVSA-N 269.344 3.617 30 20 CHED O=C(/C=C\c1ccc(-n2cccn2)cc1)c1cccc(F)c1 884003571 ZWOFUWCJRVRRDD-YFHOEESVSA-N 292.313 3.908 30 20 CHED N#CCOc1cc(F)ccc1NCc1ccc(CF)cc1 777540238 HXCGGQZRKOPFKC-UHFFFAOYSA-N 288.297 3.810 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cc(C#N)ccc1F 888369307 RULFFLRVURKTNW-LLVKDONJSA-N 277.343 3.740 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC=C(Cl)Cl)n1 1559284810 RBEYJZQIHLPTOH-UHFFFAOYSA-N 284.190 3.982 30 20 CHED Cc1ccc(CCC(=O)O[C@H]2CCC[C@H](C#N)C2)c(C)c1 1129608496 FLXTZYGBTPJMKG-RDJZCZTQSA-N 285.387 3.862 30 20 CHED CCOc1ccc(/C=C\C(=O)c2sccc2O)cc1F 782352057 PXCBDNFEYUJATB-HYXAFXHYSA-N 292.331 3.888 30 20 CHED C#CCOc1cccc(NC(=O)CCCc2ccsc2)c1 783050797 OOZZIUIHUGKOET-UHFFFAOYSA-N 299.395 3.722 30 20 CHED N#CC1(COC(=O)c2ccc(-n3cccc3)cc2)CCCC1 780528550 GGRMKQVBUKBQRB-UHFFFAOYSA-N 294.354 3.718 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccccc2C#N)CC1 785614421 TXRRHUDZVMAENH-NCIDIOPNSA-N 282.387 3.656 30 20 CHED Cc1cnc(C(=O)OCC#Cc2cccc(Cl)c2)c(C)c1 780229758 PZKXFKQCPYMZDC-UHFFFAOYSA-N 299.757 3.560 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C(/C)Cc1ccccc1OC 785854867 QESFIXXXJIPLDG-NHRMXYMRSA-N 299.414 3.751 30 20 CHED CCCCC[C@](C)(CC)C(=O)N(C)C[C@H](C)C#N 780449074 SXRIGVMYFIBPCS-HIFRSBDPSA-N 252.402 3.601 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(CC#N)c1ccccn1 892465157 RSDOELDQFJNUGC-HNNXBMFYSA-N 285.391 3.545 30 20 CHED C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(C#N)c1 785530126 NBXJHVYPVWHXQN-UYHISHBKSA-N 280.346 3.904 30 20 CHED CCC1(CC)CN(c2c(Br)cccc2C#N)C1 1472791732 WHUULHOJKPYNNU-UHFFFAOYSA-N 293.208 3.947 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1csc(Cl)c1 787146581 ZWCFXBNAMFGZMR-UHFFFAOYSA-N 280.784 3.644 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc(Br)s2)C1 185766316 VHYOEKRDDQLQRV-UWVGGRQHSA-N 299.237 3.683 30 20 CHED Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)ncc1C#N 1130504797 UVPKGEXTQAADPA-QLFBSQMISA-N 297.402 3.807 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1ncc(C(C)(C)C)o1 785077630 GEEFSZWPMRRUQV-SNVBAGLBSA-N 278.352 3.516 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1CCC(C)(C)C1 784628655 AFTYJBXXSHNPQE-GFCCVEGCSA-N 251.370 3.686 30 20 CHED COc1ccc(Cl)cc1/C=C/C(=O)c1cncs1 787170487 WTNIMJCUJNXYEX-DUXPYHPUSA-N 279.748 3.701 30 20 CHED C=C1CC(c2noc(C[C@H](C)c3cccc(OC)c3)n2)C1 896884309 ZOCFVDBWPYCSHN-LBPRGKRZSA-N 284.359 3.858 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1C=NNC1CCCCC1 786042396 UTSDBNQKYVPVTL-UHFFFAOYSA-N 281.743 3.504 30 20 CHED C=C1CC(c2noc(C3=Cc4cc(F)ccc4OC3)n2)C1 896881191 CCWFBUMYZTYPCT-UHFFFAOYSA-N 284.290 3.575 30 20 CHED C=CCCc1noc(-c2ccc(C)nc2C(C)C)n1 896387022 QYZMBZWLDHACMA-UHFFFAOYSA-N 257.337 3.682 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc2ccccc2c1O 790182809 LINUNTIENABHFS-LLVKDONJSA-N 256.349 3.658 30 20 CHED CCCCCCCOC(=O)c1nc2cccnc2s1 792384083 LQSHFSXWBZPRFA-UHFFFAOYSA-N 278.377 3.819 30 20 CHED CCC(=NNc1c(C)cccc1CC)c1cnn(C)c1 799493543 GMDDYMYJGZIIDM-UHFFFAOYSA-N 270.380 3.517 30 20 CHED COc1cc(C=NOCc2ccc(C)c(C)c2)cc(OC)c1 794727978 SUSFEZVEGPQUTD-UHFFFAOYSA-N 299.370 3.871 30 20 CHED CCC[C@@H](C(=O)N(CCC#N)C(C)(C)CC)C(C)C 189932877 SUAPGZGLCFSRKN-CQSZACIVSA-N 266.429 3.990 30 20 CHED COC1CCC(=NN2CCC(C(C)(C)C)CC2)CC1 790179063 RBQOAAFZBGDAGJ-UHFFFAOYSA-N 266.429 3.690 30 20 CHED CC[C@H](C)CON=C(C)c1ccc(C(C)(C)O)cc1 793159319 NBGWDHKEBBPQEK-LBPRGKRZSA-N 263.381 3.701 30 20 CHED N#Cc1cccc(CNC(=O)/C(F)=C/C2CCCCC2)c1 798158191 BVGRDQYQLPRNAK-YBEGLDIGSA-N 286.350 3.608 30 20 CHED N#CCc1cccc(NCc2cnc(C3CC3)s2)c1 562523605 HAAXCGRXFQZZIU-UHFFFAOYSA-N 269.373 3.699 30 20 CHED Cc1cc(/C=C2\COc3cc(F)ccc3C2=O)ccc1C#N 794726349 BNJRBHLGUDWMCV-VGOFMYFVSA-N 293.297 3.665 30 20 CHED COc1ccc2c(c1)CCCC2=NOCc1cc(C)ccn1 790501570 XCZAQYAPSPXPCC-UHFFFAOYSA-N 296.370 3.656 30 20 CHED CCN(CC1CCC1)Cn1ccc(-c2ccc(C#N)cc2)n1 794681090 AJKJJOALQAEBAR-UHFFFAOYSA-N 294.402 3.501 30 20 CHED C=CCOc1ccc(OC(=O)[C@H]2CCC(F)(F)C2)cc1 796737498 ZQLMBERPXYDRHW-NSHDSACASA-N 282.286 3.592 30 20 CHED C=CCOc1ccccc1C(=O)O[C@H]1C=CCCC1 733433398 BHBPXLBYDOADBU-ZDUSSCGKSA-N 258.317 3.517 30 20 CHED CCn1c(-c2ccc(F)cc2)nc2cc(C#N)ccc21 86635848 PCSZIQVQOIAFCT-UHFFFAOYSA-N 265.291 3.734 30 20 CHED Cc1nc(C#N)cc(N[C@H](c2ccc(F)cc2)C(C)C)n1 1159062717 PWPGYEJKSXUWBP-INIZCTEOSA-N 284.338 3.605 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H](C#N)C2)CC(C)(C)C1 1303427864 DEPLNAWBKDZWSH-ILXRZTDVSA-N 276.424 3.601 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)c1cc(C)c(C#N)cn1 1162786410 IHEVQAXXPAAFID-UKRRQHHQSA-N 257.381 3.667 30 20 CHED COc1ccc2[nH]c3c(c2c1)CC(=NOC(C)(C)C)CC3 1325160902 XIMKGFNBFHFYNN-UHFFFAOYSA-N 286.375 3.836 30 20 CHED C[C@@H]1CC[C@@H](C)[C@@H](NCc2cccc(OCC#N)c2)C1 1325117301 JRYOTIONACTLQS-CPUCHLNUSA-N 272.392 3.503 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(OCC(C)C)cc1 1320427925 NRAJDFGUYQCMOT-GDBMZVCRSA-N 277.408 3.573 30 20 CHED COC(=O)c1cccc(/C=C2/Cc3ccc(C)cc3C2=O)c1 1322546664 NPAHAHLYUMIXFN-YBEGLDIGSA-N 292.334 3.604 30 20 CHED CCC[C@H]1C[C@H](c2nnc(-c3ccc(C#N)cc3)o2)CCO1 1327796424 PYHIHKPTFWHARI-CABCVRRESA-N 297.358 3.671 30 20 CHED CCc1ccc(-c2n[nH]c(S[C@@H](C)CCC#N)n2)cc1 1322228527 VXBBSPUKJFQHST-NSHDSACASA-N 286.404 3.818 30 20 CHED Cc1cc(C)c(C=NNCc2ccc(F)cc2)cc1C 1323965269 XXZXYRGSOIGGIA-UHFFFAOYSA-N 270.351 3.875 30 20 CHED CCc1ccc([C@@H](C)C(=O)N[C@H](C#N)C2CCCC2)cc1 1331519463 HXUHBKZXSZQIOE-CXAGYDPISA-N 284.403 3.551 30 20 CHED Fc1cccc(F)c1NN=Cc1nc(-c2ccccc2)c[nH]1 1339230952 XJRZISKCSKNWDC-UHFFFAOYSA-N 298.296 3.801 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1csc(C(C)C)n1 1347520660 BRZTUTPXIDUSOJ-GFCCVEGCSA-N 278.421 3.837 30 20 CHED COC(=O)c1cccc(C=NNc2cc(C)ccc2C)c1 1340357045 OVVKPNNOYCUWDH-UHFFFAOYSA-N 282.343 3.536 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)C1 1343331610 SJONAKORPAKBTH-BPUXFUEYSA-N 291.366 3.530 30 20 CHED Fc1ccc(CNN=Cc2cc3ccccc3o2)cc1 1340495843 RFCJRMDMIGWQRU-UHFFFAOYSA-N 268.291 3.696 30 20 CHED CCC[C@H](OC)C(=O)O[C@@H](c1cccs1)[C@H](C#N)CC 1348798346 JJCNQONSJXHMCO-SGMGOOAPSA-N 295.404 3.697 30 20 CHED N#Cc1ccc(CCSc2ccc(O)cc2)cc1 1458913730 KDRMLRKZXIZEAO-UHFFFAOYSA-N 255.342 3.599 30 20 CHED N#C[C@@H](SCc1ccccc1C(=O)O)C1CCCC1 1601048618 GAVXQMXUUHROCX-CQSZACIVSA-N 275.373 3.700 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(C#N)cc2)c(C)c1 1464913534 SAJRZDYMDIZPGT-UHFFFAOYSA-N 279.343 3.843 30 20 CHED C=C(CNCc1cc(O)cc(Cl)c1)c1ccccc1 1461154966 QMUFKCHUZWQPMO-UHFFFAOYSA-N 273.763 3.849 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)c1cccs1 1602992257 PNUOVYLHQJEVGY-UHFFFAOYSA-N 274.345 3.591 30 20 CHED CC(C)CN(CCCCC(C)(C)C#N)CC(C)(C)C(=O)O 1603811993 UHVMUWQYLPEOSP-UHFFFAOYSA-N 296.455 3.775 30 20 CHED CC(=O)c1ccc(OCc2ccccc2C#N)cc1Cl 1473091336 QEIRFLMIGJPGOO-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CC[C@@H](Sc1ccnc(C#N)n1)c1ccccc1 1639614240 DAHMAZONTUJXIQ-GFCCVEGCSA-N 255.346 3.592 30 20 CHED N#Cc1ccc(CNc2ccc(F)c(F)c2)c(F)c1 20050336 CWRHHXJWNWRWHY-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NCCc2ccc(C#N)cc2)C1 1646205342 VVZUKKQRBJOIHG-RLFYNMQTSA-N 270.420 3.905 30 20 CHED Cc1nc(C(C)(C)C)sc1[C@@H](C)NCC(C)(C)C#N 122303837 FKJRWMPPDXUYHO-SNVBAGLBSA-N 279.453 3.949 30 20 CHED C=CCC1(NCc2cc(C(=O)O)oc2C)CCCCC1 1573353539 YGJZNADBOALSKT-UHFFFAOYSA-N 277.364 3.655 30 20 CHED CC(C)c1cc(Sc2cccc(F)c2C#N)ncn1 1651187573 UDTPFZLKOBLBLO-UHFFFAOYSA-N 273.336 3.762 30 20 CHED CCc1ccc([C@H]2CCN(CC3(CC#N)CC3)C2)cc1 1658805850 XBGSLUHABLCPKB-KRWDZBQOSA-N 268.404 3.732 30 20 CHED COc1cc(Cl)ccc1CSc1cccnc1C#N 1651984067 NPFIOLADBCOMPZ-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(C(=O)O)cc1F 1588777706 GSSFHAKKTCAVHV-AWEZNQCLSA-N 279.355 3.748 30 20 CHED CCO[C@H]1C[C@@H](N(C)CC2(CC#N)CC2)C12CCCCC2 1652614839 SBWLPGWJFUBHDW-CVEARBPZSA-N 290.451 3.740 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1 1662642447 JBHRMNNGZBGNTO-STQMWFEESA-N 285.391 3.813 30 20 CHED C[C@@H]1C(=NNc2ccc(Cl)cc2F)CC[C@@H]1CC(=O)O 1776106708 RFQCFPZWSXJGDY-DTWKUNHWSA-N 298.745 3.768 30 20 CHED O=C(O)c1ccc2c(c1)CCCCC2=NOCC1CCC1 1776093312 JMZUPOVFMOMRTM-UHFFFAOYSA-N 287.359 3.632 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C(=O)O)c1ccc(F)cc1 1776180841 WGUZUYAMLVDECU-QGZVFWFLSA-N 299.345 3.640 30 20 CHED C=C(C)CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1 161029227 NWKHFPCUQKVLIM-UHFFFAOYSA-N 286.762 3.708 30 20 CHED C[C@H]1C[C@@H](C)CN(Cc2ccc(C#N)cc2Cl)C1 162859474 BNULCULVRNUGGA-TXEJJXNPSA-N 262.784 3.690 30 20 CHED C=CCc1cc(CN2CCCC[C@H]2C)cc(OC)c1O 158929922 CNHHFFBNWUOBFH-CYBMUJFWSA-N 275.392 3.504 30 20 CHED Cc1cc(C#N)ccc1CSc1ccc2c(c1)OCCO2 166005742 IUZOMRIIBCQVPQ-UHFFFAOYSA-N 297.379 3.930 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)O[C@@H](C#N)C1CC1 166783018 JNCWIMMLCRNLGF-GDAGCXPBSA-N 275.735 3.589 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCC(C)(C)c1ccccc1 151727465 ODTXIAGQQGZZFK-KRWDZBQOSA-N 272.392 3.553 30 20 CHED CCC1(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)CCCC1 151040567 OWEALLVMNJCTKE-CYBMUJFWSA-N 295.386 3.720 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccccc1CC 152080370 ZBUIXJHXSTYXMD-UHFFFAOYSA-N 272.392 3.841 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1Cl 153536696 IOHGMTFXOCOPNU-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1cccc(NC(=O)/C=C\c2ccccc2C#N)c1C 208103443 SYTGEOHZRGQLMH-KHPPLWFESA-N 276.339 3.827 30 20 CHED N#Cc1ccc(CNc2ccccc2N2CCCC2)s1 157344793 CENNBEAQMDYDSF-UHFFFAOYSA-N 283.400 3.832 30 20 CHED C=CCOc1ccc(CNCc2ccccc2C)cc1 37486691 JGGUGFCCTYVLLJ-UHFFFAOYSA-N 267.372 3.850 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)cc2)c(C)o1 37748360 SQHONFOHRJUGBA-GFCCVEGCSA-N 254.333 3.619 30 20 CHED Cc1cccc(SCC(=O)Nc2ccc(C#N)cc2)c1 40696073 ILAWSKVIYDJASW-UHFFFAOYSA-N 282.368 3.598 30 20 CHED COc1cccc(CNc2ccc(CC#N)cc2)c1F 165840713 PIUQCBBQLUONFG-UHFFFAOYSA-N 270.307 3.512 30 20 CHED C[C@H](NC[C@H]1CC=CCC1)c1ccc(OCC#N)cc1 45629098 JLSNBGSNAGRZQH-GJZGRUSLSA-N 270.376 3.596 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccnn1C(C)C 279648585 MKYCPINBGNMTJU-UHFFFAOYSA-N 269.392 3.652 30 20 CHED CC(C)CCN(C)c1c(C#N)cnc2ccccc12 48923586 GOKURQRFXIIALZ-UHFFFAOYSA-N 253.349 3.589 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(C(F)(F)F)c1C 285745298 RPNRQUKDCAYLFF-CYBMUJFWSA-N 284.281 3.892 30 20 CHED CCS[C@@H]1CCC[C@@H]1N[C@H](C)c1cccc(C#N)c1 286090884 KPGJYUVZAXKPKB-UHOFOFEASA-N 274.433 3.883 30 20 CHED CCCCCCCC(=O)Nc1ccc(OCC#N)cc1 59147824 WFSFYWZPDJQOIG-UHFFFAOYSA-N 274.364 3.888 30 20 CHED Cc1nc(CNc2nc(C(C)(C)C)ccc2C#N)cs1 613412057 HWEKEKGIYNFEOI-UHFFFAOYSA-N 286.404 3.628 30 20 CHED Cc1cc(C)cc(CNCc2ccc(C#N)s2)c1 421357113 ZGFMFGOTUUHJGJ-UHFFFAOYSA-N 256.374 3.526 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1CCCC(F)(F)C1 381003112 CCEDUMSHTWJBRF-SNVBAGLBSA-N 268.282 3.935 30 20 CHED CC(F)(F)CCC(=O)Nc1ccc(Cl)cc1C#N 713971008 DGWWYJUAGXCBEP-UHFFFAOYSA-N 272.682 3.586 30 20 CHED C=CCCOC(=O)CSc1ccc(Cl)cc1 729073771 QOADAEDNGKNHQQ-UHFFFAOYSA-N 256.754 3.551 30 20 CHED N#CCc1ccc(CN2CCC3(CCCC3)C2)cc1 398999730 RNYDCLBETKHAEG-UHFFFAOYSA-N 254.377 3.519 30 20 CHED CC(C)CN(CCC#N)C(=O)c1csc2c1CCCC2 399911665 GGZVYRCEBBUXCS-UHFFFAOYSA-N 290.432 3.639 30 20 CHED C=CCNc1cc(NC(=O)OC(C)(C)C)ccc1F 756812467 KHKHCGWHWFVSMJ-UHFFFAOYSA-N 266.316 3.771 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cc3ccccc3o2)n1 3196088 FBYGGEYDBMOXST-NSHDSACASA-N 282.324 3.688 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1 55723877 SFTCVUDYRMIHKO-UHFFFAOYSA-N 292.338 3.985 30 20 CHED CCN(CCCNCc1ccc(C#N)cc1)c1ccccc1 57642095 XOIKUFUXWVTOAH-UHFFFAOYSA-N 293.414 3.564 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)o2)c(Cl)c1 226346816 RDIJUTGJIHCPRP-UHFFFAOYSA-N 281.098 3.710 30 20 CHED C=CCn1c(C)nnc1S[C@H]1CCCc2ccccc21 58986446 CYEGRQFKTGQKAZ-HNNXBMFYSA-N 285.416 3.942 30 20 CHED N#Cc1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 20667409 LOBFWBKKQDSRFE-UHFFFAOYSA-N 274.276 3.757 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)NCCCCC#N)c2ccccc21 179174134 RSXYXGGGLRJHLN-CZUORRHYSA-N 285.391 3.618 30 20 CHED N#CCCCCNC(=O)c1ccc(-c2ccccc2F)o1 171505991 PKSJDGIWMMBYFB-UHFFFAOYSA-N 286.306 3.509 30 20 CHED Cc1ccc(N[C@H]2CCO[C@@H](c3ccccc3)C2)nc1C#N 302749033 GHHSTJKIDSGXQA-DOTOQJQBSA-N 293.370 3.594 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(F)c(F)c1F 177225262 UKNJWJGJZPBFOY-UHFFFAOYSA-N 285.309 3.922 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(F)c(Cl)cc1Cl 116859777 GATHNNJXSOSLIV-ZETCQYMHSA-N 276.138 3.827 30 20 CHED C=C[C@H](C)N[C@H](C)c1sc(-c2cccnc2)nc1C 119345542 BVTMJGDUEABZRN-WDEREUQCSA-N 273.405 3.739 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC2CCSCC2)c1 136215159 BUAQFRAUBACFDZ-UHFFFAOYSA-N 287.428 3.554 30 20 CHED CC[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 408015428 CFBLHTADTHYXFT-LBPRGKRZSA-N 277.755 3.618 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OCC2CC2)cc1 172230132 CNCPNSJQDKKGFA-UHFFFAOYSA-N 286.375 3.681 30 20 CHED CCCN(C(=O)c1cc(C#N)cs1)c1ccccc1F 1279310737 TXRGUPYDZCBHLB-UHFFFAOYSA-N 288.347 3.816 30 20 CHED Cc1ncccc1/C=C/C(=O)c1ccc(OC(F)F)cc1 171417576 ZEBIZZKOVWXYDN-RMKNXTFCSA-N 289.281 3.888 30 20 CHED Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(C#N)cc1 67957050 VWBXRZAONOPJCD-UHFFFAOYSA-N 299.399 3.774 30 20 CHED CC(C)C1(C)CCN(c2snc(Cl)c2C#N)CC1 302410901 LKRXWRVVGNPXSG-UHFFFAOYSA-N 283.828 3.931 30 20 CHED CC(C)(C#N)CCCNC1(c2cccc(F)c2)CC1 179684275 AMNSIMXOHFRPAH-UHFFFAOYSA-N 260.356 3.734 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 69357565 ARICMFRMEGAHRO-KBXCAEBGSA-N 299.414 3.646 30 20 CHED N#Cc1ccc(N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 301359325 ZSQLRXRAZFQGHN-INIZCTEOSA-N 280.346 3.766 30 20 CHED CCN(C(=O)Nc1cc(C#N)ccc1OC(C)C)C(C)C 171379812 NWFJDSNDIQNPMF-UHFFFAOYSA-N 289.379 3.608 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1(C#N)CCCCC1 178656275 IXCJALKPYKUHFP-QWHCGFSZSA-N 288.416 3.503 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H](C)c2ccc(C#N)cc2)c1 302121819 UQDQAFFZJMIQEO-GFCCVEGCSA-N 289.338 3.806 30 20 CHED COc1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1C#N 125021937 RPXIVNNQHBZNJC-QGZVFWFLSA-N 292.382 3.556 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(CCC(F)(F)F)cc1 120878061 XTHXVMWZURMYNV-CQSZACIVSA-N 298.308 3.604 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(Br)cn1 125712924 YBXPEUASICYAAC-UHFFFAOYSA-N 295.180 3.551 30 20 CHED CC(C)(C)Oc1ccc(C(=O)OCC2(C#N)CCC2)cc1 183841837 VVUDXDCKCMUZJJ-UHFFFAOYSA-N 287.359 3.715 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc(C#N)cn2)C1 78450581 YXTPNQZBXLEJOA-MLGOLLRUSA-N 281.334 3.680 30 20 CHED C=C1CCN(Cc2cscc2C(F)(F)F)CC1 356218210 FHAKFIQVNYRJPN-UHFFFAOYSA-N 261.312 3.919 30 20 CHED C=CCCCN[C@@H](C)c1ncc(-c2ccccc2)o1 184895443 MINFCGOXWKPCRT-ZDUSSCGKSA-N 256.349 3.958 30 20 CHED N#CCCCSc1nc2ccccc2n1C(F)F 78874103 SPMHVBKXXGDECQ-UHFFFAOYSA-N 267.304 3.827 30 20 CHED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CC#N)s2)cc1 185632276 YVAVPUDCMIXDNX-LLVKDONJSA-N 299.399 3.518 30 20 CHED C=CCOCCS[C@H](C)c1nccn1-c1ccccc1 419476783 OYRQSONQRYFYHF-CQSZACIVSA-N 288.416 3.869 30 20 CHED CSc1ccccc1[C@@H](C)NCC1(CC#N)CC1 442873096 ZXXSLLOASNBANE-GFCCVEGCSA-N 260.406 3.753 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H]1CC[C@H](C)C1 121536016 MISLMFBJXCTAJT-KBPBESRZSA-N 264.413 3.791 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc21 412841252 OQBMOIBLBUHCFK-MJGOQNOKSA-N 291.394 3.630 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(Oc2ccccc2)nc1 129002266 WLUZHNBFOSCSKI-UHFFFAOYSA-N 294.354 3.688 30 20 CHED C=CCCc1ccccc1NC(=O)CNc1cccc(F)c1 504283655 GVGJWJBOCSREBG-UHFFFAOYSA-N 298.361 3.995 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 210605579 XNJDZNZWUSDREI-YFHOEESVSA-N 267.284 3.799 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)c(F)c1F 182763150 IDTLTUIUFVKMMH-SECBINFHSA-N 286.297 3.970 30 20 CHED CCCN(CC#N)C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 129938490 CJNJHFWWMIVKLM-IRXDYDNUSA-N 284.403 3.676 30 20 CHED N#Cc1ccc(CN2CCC(c3ccccc3)CC2)cc1 213231690 YBWRGXLXABMMAU-UHFFFAOYSA-N 276.383 3.938 30 20 CHED CC[C@H](OC1CCCC1)C(=O)N(CCC#N)C(C)(C)CC 187528237 FLUXEZCPTSOLRJ-HNNXBMFYSA-N 294.439 3.655 30 20 CHED C=C(C)CCN1CCO[C@H](c2cccc(OC(F)F)c2)C1 509007675 ITNGJIGVYQYEHS-HNNXBMFYSA-N 297.345 3.628 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Oc2ccccc2)nc1 410122899 DPXDMPRMAGMWTF-HNNXBMFYSA-N 296.370 3.958 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc(SCC)cc1 502323390 VVKUAHNBELSABN-UHFFFAOYSA-N 277.433 3.766 30 20 CHED CC[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 79527702 XOGUOXMKCQRXML-ZDUSSCGKSA-N 288.416 3.564 30 20 CHED CC(C)N(C)C[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 314890557 HSSWXKQYGDQUJL-NSHDSACASA-N 299.340 3.718 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](CC)C1 181390924 VKMLXSDRPDNMPS-KBPBESRZSA-N 252.402 3.563 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC(F)F)c(F)c1 185218699 CHALIRUQVNAKFC-UHFFFAOYSA-N 285.265 3.559 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cncc(Cl)c1C 410558677 PUSJJEINQPBZNY-UHFFFAOYSA-N 293.798 3.636 30 20 CHED CCC(=CC(=O)Nc1ccccc1O[C@@H](C)C#N)CC 182108890 BMJVOASWBKPZTD-LBPRGKRZSA-N 272.348 3.662 30 20 CHED Cc1ccc2[nH]c([C@@H]3CCCN(CCCCC#N)C3)nc2c1 130831424 RIDNLNIMZGLPAW-OAHLLOKOSA-N 296.418 3.745 30 20 CHED Cc1ccnc(CNc2ccc(C#N)c(C(F)(F)F)c2)c1 328226911 BSHIIARUBHQWEX-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC[C@](C)(/N=C(/O)c1ncoc1C1CC1)c1nccs1 328836531 MXEBSMJJAMTWQA-AWEZNQCLSA-N 291.376 3.639 30 20 CHED CCC(CC)(CC)CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412182437 FJFBLCPUMQRASK-DLBZAZTESA-N 298.430 3.994 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 131649218 BWCTTZWRFLJUAK-QZTJIDSGSA-N 299.414 3.791 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(C)cc2)CCC1 190552121 AZYJQHXZMDOFPF-UHFFFAOYSA-N 257.377 3.700 30 20 CHED CCCC1(/C(O)=N/[C@H]2CCC(O)=NC23CCC3)CC1 328735318 IXWBEKSYEKKBEP-NSHDSACASA-N 264.369 3.565 30 20 CHED CC(C)CC(C)(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 84523999 GBFHAJNPWOUKAL-ZDUSSCGKSA-N 272.392 3.808 30 20 CHED CC(=O)c1ccc(NCc2ccc(C#N)cc2)cc1C 135081802 WBLGCKZXLMUFQG-UHFFFAOYSA-N 264.328 3.681 30 20 CHED CC(C)(C)C(=O)CSCc1cc(F)ccc1C#N 131263172 JXXLUWUMHAHJMR-UHFFFAOYSA-N 265.353 3.546 30 20 CHED O/C(=N/[C@@H]1CCCOCC1)N[C@H]1CCCCC12CCCC2 329825166 QVUAMHUCSUBZSS-CABCVRRESA-N 294.439 3.562 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@H](C)c1cccc2ccccc12 43236993 FPKHZLNAOCHPGM-UONOGXRCSA-N 295.386 3.702 30 20 CHED Cc1noc(C2CC2)c1N=C(O)CCN1CCCC[C@H]1C 328802230 ZVADXLOTPUTTPH-LLVKDONJSA-N 291.395 3.713 30 20 CHED C=CCNc1cccc(C(=O)N(C)c2ccccc2)c1 89104191 NHUPFOOOTSEBGT-UHFFFAOYSA-N 266.344 3.561 30 20 CHED N#CC1(CCN2CCCC[C@H]2c2cc[nH]n2)CCCCC1 516739576 OMFGDQGPWANKGZ-INIZCTEOSA-N 286.423 3.801 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cnc3ccccc3c2)CC(O)=N1 329362949 ZFMBGCWPEHCFIR-CMPLNLGQSA-N 283.331 3.578 30 20 CHED C=C1CCN(Cc2csc(C(C)(C)C)n2)CC1 264464883 HRIZZAIJYPGKGP-UHFFFAOYSA-N 250.411 3.593 30 20 CHED N#Cc1cccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c1 45198479 GTLMGLSQANSLCN-UHFFFAOYSA-N 294.329 3.502 30 20 CHED C[C@H](CC#N)N(C)Cc1ccsc1C(F)(F)F 529528670 JJBSLRMXYDPOGI-MRVPVSSYSA-N 262.300 3.501 30 20 CHED Cc1cc(Br)cc(N[C@@H]2CC[C@@H](C#N)C2)c1 381604490 PLUNKSJOWAXVRG-ZYHUDNBSSA-N 279.181 3.862 30 20 CHED COc1ccccc1[C@@H](C)NCC(C)(C)CCC#N 229670730 DXOOFSXZOCEXNI-CYBMUJFWSA-N 260.381 3.676 30 20 CHED OC(=Nc1ccc2c(c1)COC2)c1ccnn1C1CCCC1 329057926 IRVMQJHEDCOIMR-UHFFFAOYSA-N 297.358 3.665 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(CC)c(C)s1 190775462 UPLSFKUCXIOWQE-CYBMUJFWSA-N 252.383 3.555 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)[C@H]2CC[C@H](C)O2)[nH]1 330208087 ATPDCQFIGXXFRT-SMDDNHRTSA-N 285.347 3.541 30 20 CHED C=CCC1(C(=O)NCCc2cccc(Cl)c2)CCC1 190657029 YKEFMTIUOUJPOM-UHFFFAOYSA-N 277.795 3.745 30 20 CHED CO[C@H]1CC[C@H](Nc2nc3c(cc2C#N)CCCC3(C)C)C1 428226344 GXPLLUWXJLUTEL-GJZGRUSLSA-N 299.418 3.547 30 20 CHED CC(C)C[C@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 516899993 RDDCUFDUTSSMQV-CYBMUJFWSA-N 287.363 3.729 30 20 CHED N#CCc1cccc(NC(=O)N2CCC3(CCCC3)CC2)c1 335580556 TTXUNJZPHQGIOP-UHFFFAOYSA-N 297.402 3.941 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1c(C)noc1C 92327405 PZTJTRYPVXAUNT-LBPRGKRZSA-N 286.375 3.707 30 20 CHED C=CCOC(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 140255481 BQRSFNQNIBNVPJ-HNNXBMFYSA-N 296.366 3.774 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 331003608 RMJWKPLJBXEGPP-INIZCTEOSA-N 297.402 3.743 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@H](c2ccccc2)C1 424853315 VEBAYSHFARHFFD-INIZCTEOSA-N 271.404 3.995 30 20 CHED Cc1ccc(F)c(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 335804138 SHLYTYFXWYCULJ-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C=CCOc1ccccc1CN(C)CCC(F)(F)F 92478829 KQOHSVGDRNLVFA-UHFFFAOYSA-N 273.298 3.636 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C)C[C@@H](C)C1 338806311 XPSBKQJENXIUIH-ZIAGYGMSSA-N 288.439 3.604 30 20 CHED C[C@H]1c2ccccc2CN1C(=O)[C@@]1(C#N)CC12CCCC2 336226641 ZZXRPCQATQVYQY-UGSOOPFHSA-N 280.371 3.564 30 20 CHED CC[C@@]1(C)CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 336072004 YOWQXPKALBPMET-SFHVURJKSA-N 284.403 3.750 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)c1ccncc1F)c1ccccc1 338194984 MPUPYMSCBFLYFO-CZUORRHYSA-N 298.361 3.758 30 20 CHED C=CCCCCCN(C)C(=O)C(=O)c1cc(F)ccc1C 514185634 JBAGJBAAKVQUKN-UHFFFAOYSA-N 291.366 3.522 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1CC1(C#N)CC1 439324297 RWLWQDOVCGSBKU-GDBMZVCRSA-N 254.377 3.558 30 20 CHED N#CC1(C(=O)Nc2ccccc2C(F)F)CCCC1 335142627 RXXPEFUUZLEOIH-UHFFFAOYSA-N 264.275 3.647 30 20 CHED N#Cc1ccc(CNCCCc2cccc(Cl)c2)s1 237775745 GLSXBEZNPFQLPO-UHFFFAOYSA-N 290.819 3.996 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC/C=C/c1ccc(F)cc1F 435748981 QPNOFYVTAHEPLK-FHPLJQIUSA-N 293.357 3.549 30 20 CHED C=CC[C@@H](C)/N=C(/O)Nc1ncc(C(C)(C)C)s1 331258447 ZJKZHDORYZTFKE-SECBINFHSA-N 267.398 3.731 30 20 CHED CC(C)C[C@@H](C)CC(=O)N1CCCC(C)(C)[C@@H]1C#N 434029849 FCGUSHDGFSADJX-KGLIPLIRSA-N 264.413 3.599 30 20 CHED N#C[C@@H]1CC[C@H](N2Cc3ccccc3C3(CCC3)C2)C1 336131100 VLJSNOCTFOTOCR-ZBFHGGJFSA-N 266.388 3.616 30 20 CHED C=CCCCN1CCC[C@H]1C[C@@H](O)c1cccs1 267442009 IMNAVUVAVRZLBA-UONOGXRCSA-N 265.422 3.602 30 20 CHED C=CCCCC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C 438028492 OCFQYHXQUKMZPP-HZPDHXFCSA-N 281.440 3.833 30 20 CHED CCS[C@@H]1CCCCN(CC(C)(C)CCC#N)C1 93361895 SDQHLHFIDOTJFS-CQSZACIVSA-N 268.470 3.924 30 20 CHED C=C[C@H](C)NC(=O)CCSc1ccccc1Cl 340532362 VWVYNAPIELUXHH-JTQLQIEISA-N 269.797 3.513 30 20 CHED CC(C)c1ccsc1C(=O)NCC(C)(C)CCC#N 345894879 XZNLKQXDJWQNTQ-UHFFFAOYSA-N 278.421 3.931 30 20 CHED C=CCCOCCCCC(=O)Nc1c(C)cccc1OC 436218326 FPKAKZYJXPQQKU-UHFFFAOYSA-N 291.391 3.705 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 247406298 PTUUZFDENAPGRA-KEYYUXOJSA-N 299.418 3.524 30 20 CHED C=C(C)C[C@H](C)c1nc(-c2ccc(O)c(OC)c2)no1 436876375 IBKFGPMTQNOCJJ-JTQLQIEISA-N 274.320 3.521 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1ccc(C)cc1 432095321 BCQAPRCKLKEMNY-CQSZACIVSA-N 274.408 3.958 30 20 CHED CC(C)c1ccc(C(=O)NCC(C)(C)CCC#N)c(O)c1 436742325 VUZXIZQLDOMMNX-UHFFFAOYSA-N 288.391 3.575 30 20 CHED Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C#N)c1C 348133252 SQNGWKRVXFDRIY-UHFFFAOYSA-N 276.405 3.857 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)C1CCC(F)(F)CC1 345900207 CQDBVWWLDPKWME-ZDUSSCGKSA-N 259.340 3.625 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)NC(=O)C(C#N)(CC)CC 600087181 KRVDNDMRZORGEY-HNNXBMFYSA-N 290.382 3.593 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)NCC(C)(C)CCC#N)C1 346003431 NZKPDVIXJPADSW-KGLIPLIRSA-N 264.413 3.649 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2c(F)ccc(F)c2C1 437493832 GXIXHJAMYRBIOM-LBPRGKRZSA-N 298.336 3.956 30 20 CHED N#Cc1cc2c(nc1N[C@H]1CSc3ccccc31)CCC2 344632684 UDKZAJDSNXYJOB-HNNXBMFYSA-N 293.395 3.701 30 20 CHED Cc1ccccc1-n1ccnc1S[C@H]1CC[C@H](C#N)C1 430120683 MKKOXEBENUZDSZ-KBPBESRZSA-N 283.400 3.965 30 20 CHED CC(C)(CCC#N)CN[C@@H]1Cc2[nH]c3ccccc3c2C1 348211643 FINGGZFEPJJVMZ-ZDUSSCGKSA-N 281.403 3.555 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1ccc(Cl)cc1F 602329970 TVJNNVIWLMKXRZ-UHFFFAOYSA-N 282.746 3.772 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCc1ccc(F)cc1F)CC2 521418848 OLDDTCJBQGLNSS-GOSISDBHSA-N 298.336 3.656 30 20 CHED CC1(C#N)CCC(NC2CCc3ccccc3CC2)CC1 449594520 QXOVOGOIZKWYHB-UHFFFAOYSA-N 282.431 3.996 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 602348318 JTODCYRQLCZKRZ-IPQUUHLSSA-N 296.414 3.904 30 20 CHED CC[C@@H](C)Cc1noc(C[C@@H](CC#N)c2ccccc2)n1 601399966 VHOBTKKUYSPTMM-UKRRQHHQSA-N 283.375 3.898 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)OCC 534413638 NJNYMAATMMBKDX-XJKSGUPXSA-N 293.382 3.716 30 20 CHED C=CCCCC(=O)Nc1ccc(O)c2ccccc12 530882854 CMODRBSYWCPAEV-UHFFFAOYSA-N 255.317 3.840 30 20 CHED CCc1c(N[C@H]2CC[C@@H](C#N)C2)cnn1C(CC)CC 442865883 VINFYWATESYFRG-OLZOCXBDSA-N 274.412 3.911 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1CC(C)C 448819315 VEEYZLKIHWGCRT-QZTJIDSGSA-N 296.414 3.755 30 20 CHED C=CCN(C(=O)N[C@H]1CCCc2ccc(F)cc21)C1CC1 354796545 WBKDCGSYAKNQFD-INIZCTEOSA-N 288.366 3.563 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(OC(C)(C)C)cc2)C1 531758214 MYWUIRTYVVIZTE-UHFFFAOYSA-N 286.375 3.742 30 20 CHED C=CCCNC(=O)C/C=C/c1ccc(C(C)C)cc1 617616703 DNFJDOZYJNMVBR-VOTSOKGWSA-N 257.377 3.906 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 610540938 RWNODPBOSJHRDQ-UKRRQHHQSA-N 288.391 3.532 30 20 CHED COC[C@H](C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N 538072843 UTHWDGIQKJNXBU-SNVBAGLBSA-N 294.420 3.528 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(c3ccc(F)cc3)CCCC2)C1 442719593 QMHKYLXQMIQNCS-PBHICJAKSA-N 286.394 3.919 30 20 CHED CC(C)(CCC#N)CN1CCCO[C@H](c2ccccc2)C1 611268292 NTJVGGLJJYLZII-KRWDZBQOSA-N 286.419 3.780 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](CSc2ccccc2)C1 449982551 VDDLCUOSEPHTFW-CQSZACIVSA-N 289.444 3.839 30 20 CHED CCC(=CC(=O)Nc1ccc(C#N)cc1Cl)CC 269202279 AGTDLKDYLPFBGV-UHFFFAOYSA-N 262.740 3.897 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cnn(C(C)C)c1)CC2 266053746 ZSVRIXKERLACRL-OVCLIPMQSA-N 296.370 3.685 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)c1cccc(C)c1 350728498 COFFAXZVDKQUNC-UHFFFAOYSA-N 282.391 3.808 30 20 CHED C[C@H]1CCCC[C@H]1CCNCc1cc(C#N)cs1 531356461 NWGKWTNVAHZANV-JSGCOSHPSA-N 262.422 3.926 30 20 CHED C=C1CCN(C(=O)c2c(Cl)ccc(F)c2C)CC1 355675190 PGWZUNBVMPMTQD-UHFFFAOYSA-N 267.731 3.580 30 20 CHED CSc1ccccc1C(=O)N[C@H](C)c1cccc(C#N)c1 610363400 KUYYYEZDEOOZRT-GFCCVEGCSA-N 296.395 3.771 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccccc2Oc2ccccc2)C1 615641045 RMOVBKDVJRTNTN-SFHVURJKSA-N 296.345 3.916 30 20 CHED C[C@@H](S[C@@H](C#N)Cc1ccccc1)C(=O)OC(C)(C)C 619466365 UYVLJRJXWHMIHM-TZMCWYRMSA-N 291.416 3.585 30 20 CHED CCc1ccc([C@@H](NC2CCN(CC#N)CC2)C(C)C)cc1 611366194 JBVMDHXCYVDTNL-IBGZPJMESA-N 299.462 3.524 30 20 CHED CC[C@H](C)CCCCC(=O)N(CC)C[C@@H](C)C#N 612279652 TWPQNALRJFUAMS-KBPBESRZSA-N 252.402 3.601 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2c(F)cc(F)cc21 459988681 VILXOGIBTJOXAT-UHFFFAOYSA-N 279.330 3.846 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)Cc1ccccc1F 538293733 JEUMGQGFPVIZOR-KBPBESRZSA-N 292.398 3.801 30 20 CHED C=CCC1(C(=O)NCc2ccnc(SC)c2)CCCC1 450375082 DDNHEPBIHQUVOA-UHFFFAOYSA-N 290.432 3.556 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3ccccc3nc2C)C1 617777590 SMQZTQIXJWDWTG-HNNXBMFYSA-N 294.398 3.972 30 20 CHED CC(C)CCCCC(=O)N1CCc2ccc(C#N)cc21 457654508 BLOLVBGYJHSYTR-UHFFFAOYSA-N 270.376 3.664 30 20 CHED CCCCOCCCN[C@H]1CCCc2cc(C#N)ccc21 611390260 MGYSOJFEEJPEFD-SFHVURJKSA-N 286.419 3.732 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1cccc(CC#N)c1 456750742 MKOXRWOTXYOUSY-GOEBONIOSA-N 270.376 3.908 30 20 CHED CCc1ccc([C@H](C)NC(=O)N2CCC(C)(C#N)CC2)cc1 272364130 CGODXQCMIQWHRU-AWEZNQCLSA-N 299.418 3.645 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 278190308 BXFWRWFVNYBHFW-INIZCTEOSA-N 288.366 3.723 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 451002373 JEPKSMWNPBOHBL-HOTGVXAUSA-N 271.404 3.726 30 20 CHED Cc1cccc2c1CC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 613254422 KFRIPLUTMCSDAQ-VBQJREDUSA-N 254.377 3.654 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](C(C)C)C1 549702917 VYWRWHAKLRWNBI-LSDHHAIUSA-N 290.455 3.850 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)c1cccc(C#N)c1 618302235 JUUILXHFWYRWTL-CQSZACIVSA-N 269.392 3.929 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2ccccc2O[C@H](C)C#N)CS1 277211251 KHRXFMKKVAPGNX-XJKCOSOUSA-N 290.432 3.919 30 20 CHED C[C@H]1CCC[C@H](N2CCC(NCC(C)(C)CC#N)CC2)C1 459726306 DXPZGFFAFVSLJB-RDJZCZTQSA-N 291.483 3.559 30 20 CHED CC[C@H](CC(F)(F)F)Nc1ccc(F)cc1C#N 544841927 YLUSFZPJNXOTLJ-SNVBAGLBSA-N 260.234 3.840 30 20 CHED C=C(C)CCNC(=O)N(CC1CC1)C1CCCCC1 459010586 WRXGZEMSYHIBNM-UHFFFAOYSA-N 264.413 3.707 30 20 CHED C=CCCc1noc([C@@H]2CCCN2Cc2ccccc2)n1 453239094 RPMRVYJBUGSZRM-HNNXBMFYSA-N 283.375 3.525 30 20 CHED C=CCN(Cc1cccs1)[C@H](C)c1ccncc1 623194297 OSSGNFOQFKHSCH-CYBMUJFWSA-N 258.390 3.892 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H](C)C(C)(F)F)CCCC1(C)C 455777832 GVYCVYJTEXDPNU-RYUDHWBXSA-N 288.382 3.806 30 20 CHED CC[C@H](NCC[C@H]1CCO[C@H](C)C1)c1ccc(C#N)cc1 278693466 KNWMMAZVZQTHQH-VKJFTORMSA-N 286.419 3.804 30 20 CHED C=CCCCCCN(C)Cc1cnc(C2CC2)nc1 459351828 UJFZSBXVSZNDCR-UHFFFAOYSA-N 259.397 3.532 30 20 CHED CC[C@H](CSc1ccccc1)NC(=O)CC(C)(C)C#N 278284188 BZTPGZHDDXQFEW-CYBMUJFWSA-N 290.432 3.613 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](c1ccccc1)C(F)F 455636313 CHCXUHNVNXBXAQ-CHWSQXEVSA-N 282.334 3.647 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C)c(C)c1Cl 541183194 OTOFKZWMCWTTGJ-UHFFFAOYSA-N 263.768 3.771 30 20 CHED C=CCCc1nc(Cc2ccc(C(C)C)cc2)no1 546999717 AWWFJNJPUUTCNR-UHFFFAOYSA-N 256.349 3.902 30 20 CHED CC#CCCN1CCS[C@H](C)[C@H]1c1ccccc1 462327920 PWBMTFKEYYHBGC-ZBFHGGJFSA-N 259.418 3.578 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)N[C@@](C)(C#N)C(C)(C)C 464160445 CDVFUBOPEITXPI-YOEHRIQHSA-N 294.439 3.559 30 20 CHED CCCCCCCCCCC(=O)NCc1cccnn1 277496783 DCLZIVCAOXUETG-UHFFFAOYSA-N 277.412 3.624 30 20 CHED C=CCC(CC=C)c1nc(Cc2cccc(OC)c2)no1 547002460 XMGWGARDUBCJHK-UHFFFAOYSA-N 284.359 3.905 30 20 CHED C=CCN(C(=O)[C@H](C)c1cccc(F)c1)C(C)(C)C 622944471 UHISQUPFZBUIKB-GFCCVEGCSA-N 263.356 3.742 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C#N)c(Cl)c1 466389381 QGTCLIDCFHMKMY-NSHDSACASA-N 277.755 3.688 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@]1(C)CCC[C@@H]1C 460058141 YLYLNRKEWUOPDG-YVEFUNNKSA-N 286.375 3.722 30 20 CHED CC[C@@](C)(C#N)C(=O)NC1CCC(c2ccccc2)CC1 285113184 JYGJXDKYNQPLTN-HTWSVDAQSA-N 284.403 3.769 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc2c(cn1)CCCC2 464087362 BDXYJRAKPUBLCO-HNNXBMFYSA-N 285.391 3.533 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(c2cc(C#N)ccn2)C1 286334403 JHEFRPHAUVUEGX-CZUORRHYSA-N 263.344 3.541 30 20 CHED Cc1cc[nH]c1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 281442027 ZRCOKFPJKXJPMT-UHFFFAOYSA-N 287.407 3.552 30 20 CHED C=CCCC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 280188823 MAMOFKJCLPRMED-ZFWWWQNUSA-N 261.340 3.544 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCOCC2)CC1 284721728 JLELQBVZJCIXGK-HNNXBMFYSA-N 284.403 3.512 30 20 CHED CC(C)(C#N)CCSCC(=O)Nc1cccc(Cl)c1 289480700 XEAHTMOXOUDNOZ-UHFFFAOYSA-N 296.823 3.952 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1scc(C)c1C#N 288838968 OKRJDEIPCRSFAG-JTQLQIEISA-N 282.434 3.789 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCC[C@H](c2ccnn2C)C1 550856521 KLQLNBJLKXBYSV-LSDHHAIUSA-N 275.440 3.638 30 20 CHED C=CCCCCNC(=O)c1cc(C)n(-c2ccc(C)cc2)n1 471719275 ZSYSHTGEIPZYJE-UHFFFAOYSA-N 297.402 3.575 30 20 CHED Cc1ccc([C@H](C)NCC(C)(C)CCC#N)c(O)c1C 806176248 KFOJRMCJPFWRLS-AWEZNQCLSA-N 274.408 3.990 30 20 CHED C=CCCCCNC(=O)c1cnc(-c2ccccc2)s1 471675057 ZUKIXAAYQBJDDV-UHFFFAOYSA-N 286.400 3.896 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(CN(C)C)c(Cl)c1 478057903 XYIBLQKHKCJCAV-MRXNPFEDSA-N 294.826 3.942 30 20 CHED Cc1cccnc1CCCN[C@H](C)c1ccc(C#N)cc1 296274584 DTRDPGCZVHCBTC-OAHLLOKOSA-N 279.387 3.545 30 20 CHED C#C[C@H](NC(=O)CCCc1sccc1C)C(C)(C)C 807884214 LLQGXHGKUGPTAY-AWEZNQCLSA-N 277.433 3.543 30 20 CHED CCCC[C@@H](C)C(=O)OCc1ccc(F)cc1C#N 800274826 RFLSHOOXPGPHGA-LLVKDONJSA-N 263.312 3.567 30 20 CHED Clc1ccc(-c2ccc(C=NNc3nc[nH]n3)cc2)cc1 807997573 REVJIZITBSULJX-UHFFFAOYSA-N 297.749 3.571 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1c1ccnc(C#N)n1 565220232 BRXLRFGXSAEPQN-HZPDHXFCSA-N 292.386 3.511 30 20 CHED C=CCOCCCOc1ccc(OC(F)(F)F)cc1 478786890 YRCDCLQODPBXLR-UHFFFAOYSA-N 276.254 3.557 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2cccc(Cl)c2[nH]1 560243824 RCGWSFMMALDZAA-UHFFFAOYSA-N 277.755 3.757 30 20 CHED C=CC1CCN(C(=O)NCc2cccc(C(C)C)c2)CC1 477752794 WCYMXVOGBNZOKI-UHFFFAOYSA-N 286.419 3.918 30 20 CHED COc1cccc(Cl)c1COc1ccc(C#N)cc1 563265019 OGQFFUAFMWADNB-UHFFFAOYSA-N 273.719 3.799 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)c1ccsc1 800790340 JBUQHHHJHAEKJU-SOOGHKCXSA-N 261.346 3.642 30 20 CHED C[C@@H]1CCC[C@H](c2noc(-c3ccccc3OCC#N)n2)C1 809343719 HXKSLZKLFUCULL-OLZOCXBDSA-N 297.358 3.933 30 20 CHED C=CC[C@H](CO)CN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 474894560 SHEAIRNLXUHNSM-MCIONIFRSA-N 281.827 3.606 30 20 CHED C=CCCCCN[C@H](c1cccs1)C(C)(C)CO 649624426 ZMLOLWSJNLLWEO-CQSZACIVSA-N 267.438 3.754 30 20 CHED C=CCn1c(CCCC)nnc1N1Cc2ccccc2[C@H]1C 562027068 NPMBIBKOEBFZTL-CQSZACIVSA-N 296.418 3.888 30 20 CHED C=CCC(C)(C)C(=O)N1CCCO[C@@H](c2ccccc2)C1 644794720 LSYMCZYNHFRKRJ-MRXNPFEDSA-N 287.403 3.579 30 20 CHED Cc1cc(OC(=O)C[C@@H]2C=CCC2)c(C)c(C)c1C#N 809034856 QLISIPXHFFAHOZ-CQSZACIVSA-N 269.344 3.745 30 20 CHED CC(=O)CCc1ccc(OCc2ccc(CC#N)cc2)cc1 399273920 VBSOOMMOTJULBO-UHFFFAOYSA-N 293.366 3.853 30 20 CHED N#CCc1ccc(CN2CCCOc3ccccc32)cc1 398998792 ATBQIOYWVUHHMF-UHFFFAOYSA-N 278.355 3.542 30 20 CHED C#C[C@H](NC(=O)C1[C@H]2CCCC[C@H]12)c1ccc(Cl)cc1 811948397 DWCYOPPZHKIESI-KKUMJFAQSA-N 287.790 3.567 30 20 CHED C=CCCC1(C(=O)N(C)[C@@H]2CCc3ccccc3C2)CC1 483564386 SIOZWBKUCGKTPV-QGZVFWFLSA-N 283.415 3.749 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@H]1[C@@H](C)CCC 810604869 AAPUXLLOXDEHON-YJBOKZPZSA-N 283.415 3.638 30 20 CHED C=CC[C@@H](N[C@H](C)c1ccc(OC)c(O)c1)c1ccncc1 810217896 BVFBGLWFSZMHIQ-CZUORRHYSA-N 298.386 3.764 30 20 CHED CCCC(=NN[C@@H](C)c1ccncc1)c1ccc(OC)cc1 819819422 ZHIDTJLECZYJEC-AWEZNQCLSA-N 297.402 3.945 30 20 CHED Cn1cc(NN=Cc2ccc(C3CCCC3)cc2)cn1 812230448 VBBWTUKHVYQNCL-UHFFFAOYSA-N 268.364 3.524 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CCCC[C@H]1C)c1ccccc1 819430305 CQKSNHXLRLVACO-PVAVHDDUSA-N 269.388 3.694 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1F 488863778 SYPZYRKXRGWRQV-LLVKDONJSA-N 267.731 3.660 30 20 CHED C=CCCOCCCCC(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C 482682666 WMSXYWGPXFAPLD-IKGGRYGDSA-N 295.467 3.938 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C#N)s2)C1 574288397 MKTUJTMAFWOXIE-WBMJQRKESA-N 283.400 3.598 30 20 CHED C=CCC[C@@H](C(=O)N(C)Cc1ccoc1)c1ccccc1 488707825 FPFXTKVQBKSCMN-QGZVFWFLSA-N 283.371 3.988 30 20 CHED C#C[C@H](C)NCc1cnn(C2CCCC2)c1-c1ccccc1 817409310 IHHDOFCPWRFBGB-HNNXBMFYSA-N 293.414 3.777 30 20 CHED COc1ccc2c(c1)C(=NOC/C=C/Cl)CCC2 811671814 XOKWZRBUVDPRTE-HSVDBDNBSA-N 265.740 3.505 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1C1CCC1 576759025 OHVLGHDHFJFDNO-ZWKOTPCHSA-N 296.414 3.733 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1NC1CCC1 652788624 HHJKFHYUGVHXIZ-UHFFFAOYSA-N 288.391 3.572 30 20 CHED CSCC[C@](C)(C#N)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 579640601 FWDSUSVIYDGPES-IIAWOOMASA-N 296.480 3.600 30 20 CHED C=CCC(C)(C)CNC(=O)C1CCC(C)(C)CC1 489904020 BNZUNJFZDCRUNG-UHFFFAOYSA-N 251.414 3.921 30 20 CHED CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CC1(C)C 577484200 WHPJPGHAPDSODE-HZMVEIRTSA-N 296.414 3.603 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2ccccc2Cl)CCC1 651351726 RIRBKNIRCSWCIK-LBPRGKRZSA-N 277.795 3.843 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C(F)(F)F 480665633 OSDDCLOUCPBLOG-DTWKUNHWSA-N 274.261 3.546 30 20 CHED Cc1cc(C(=O)OCc2ccc(F)cc2C#N)c(C)s1 728618550 CCOYWUZSGNRXFU-UHFFFAOYSA-N 289.331 3.733 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCc2sccc2[C@H]1CC 820634554 FODSDDQKSZHRTC-TZMCWYRMSA-N 290.432 3.569 30 20 CHED C[C@@H](C#N)CNCc1ccc(N(C)Cc2cccs2)cc1 824153610 QBGKMPLLIRFANZ-AWEZNQCLSA-N 299.443 3.634 30 20 CHED CCCCCCCC(=O)NCCc1cccc(F)c1 826955144 ACWICMKSJFLKTI-UHFFFAOYSA-N 265.372 3.845 30 20 CHED C=CCC(C)(C)CNC(=O)COC[C@H](C)c1ccccc1 650054735 NAVWWZDBWLTZSJ-HNNXBMFYSA-N 289.419 3.525 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc([C@@H]2CCOC2)cc1 820702405 RNXIDDUCCSEFDA-DZGCQCFKSA-N 273.376 3.731 30 20 CHED C=C(C)CCNc1cccc(COCCOCC)c1C 576025849 XSQDGJHEQPZJKP-UHFFFAOYSA-N 277.408 3.926 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1noc(C2CCCCC2)n1 821447915 NCSUZFCDJFCVBZ-UHFFFAOYSA-N 292.379 3.763 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@@H]3C[C@H]3C2)c1 665955854 DUWLQDBMPXCWEA-KGLIPLIRSA-N 286.375 3.515 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1cccc(OCC)c1 497118270 YALBHILGSBBWSM-DZGCQCFKSA-N 290.407 3.800 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc3oncc3c2)cc1 821021539 HLZVNRRPEKNOCN-CLTKARDFSA-N 274.279 3.596 30 20 CHED Cn1cc(Nc2ncc(C#N)cc2F)c(C2CCCCC2)n1 581058803 POCGRWIACXLJIB-UHFFFAOYSA-N 299.353 3.617 30 20 CHED N#CC1(CCCCOC(=O)c2cc(C3CC3)no2)CCC1 909283371 RTINJYQGSRMXQZ-UHFFFAOYSA-N 288.347 3.573 30 20 CHED C=C1CC(c2noc([C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)n2)C1 904108370 KMPXLTDMWSAMFD-KBPBESRZSA-N 297.314 3.683 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1ncccc1Cl 734298755 KIZUSCDZJIPVRG-UHFFFAOYSA-N 275.714 3.637 30 20 CHED N#Cc1cc(Cl)ccc1NCCc1ccc2c[nH]nc2c1 588048729 XGXTVFMMCJCBGD-UHFFFAOYSA-N 296.761 3.743 30 20 CHED CCc1ccc(NC(=O)NCC(C)(C)C#N)cc1Cl 490779028 ACPQXXASQBCMGO-UHFFFAOYSA-N 279.771 3.574 30 20 CHED Cc1ccc(C(C)(C)C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839048820 GPYYZNXYEZISAC-ZBFHGGJFSA-N 285.387 3.898 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@H](CC(C)C)C1)C(=O)O 901691263 USYMWHKAMQATCY-KFWWJZLASA-N 267.413 3.600 30 20 CHED C=CCC[C@@H](NC[C@@H](CCC)c1ccccc1)C(=O)O 901690527 PKZZBAORBUKMFL-HZPDHXFCSA-N 275.392 3.579 30 20 CHED C=CCOc1cccc(NC(=O)/C=C\c2cccc(O)c2)c1 588535763 BXPIYKFHZDVAPY-KTKRTIGZSA-N 295.338 3.609 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N(O)Cc2ccc(F)cc2)c1 901372560 HAPYASHSFSCLMN-DLBZAZTESA-N 299.345 3.656 30 20 CHED CC(C)(C)[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1 583435609 QDBPNTVDIBFDSP-CJNGLKHVSA-N 287.382 3.946 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2ccccc2COC)no1 903985645 XXRXKLNVMKFCQA-LBPRGKRZSA-N 272.348 3.638 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)C1(C#N)CCCCC1 44385610 VSZDDDCHRSPQIC-CQSZACIVSA-N 270.376 3.646 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C2CCCC23CCC3)o1 834949544 IVSGLZHNXNELTK-UHFFFAOYSA-N 286.379 3.966 30 20 CHED CC1(C)Cc2occc2[C@@H](NCC2(C#N)CCC2)C1 903030460 BXYUCQOPRWGQJW-ZDUSSCGKSA-N 258.365 3.577 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cc(C)c(C)s2)cc1 584238792 ZFIMHHMKPYNGBX-HNNXBMFYSA-N 298.411 3.922 30 20 CHED C[C@@H](COC(=O)/C=C\c1ccccc1C#N)c1ccccc1 735130804 AGJMBZFVNXDWNF-SSCKCOOKSA-N 291.350 3.918 30 20 CHED CC(C)n1ccnc1S[C@@H](C#N)c1ccccc1 581499677 OEYPJCNXHTVWEI-ZDUSSCGKSA-N 257.362 3.821 30 20 CHED N#Cc1cc(Cl)ccc1SCc1occc1C(=O)O 833068605 DKYOLAPGSKRQKD-UHFFFAOYSA-N 293.731 3.795 30 20 CHED N#Cc1cccnc1N[C@H](CCc1ccccc1)C(F)F 599141422 MRCZSIFRYKWDQT-CQSZACIVSA-N 287.313 3.632 30 20 CHED CC(C)(CC#N)CN[C@H]1CN(Cc2ccccc2)C(C)(C)C1 590970598 UDICHMOWGMWXOZ-QGZVFWFLSA-N 299.462 3.569 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@@H](c2ccccc2F)C1 595314682 WAQZTMQZVZZLFE-QAPCUYQASA-N 280.346 3.880 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCc1ccccc1F 912779127 OULVJLCDBPLKNP-UDWIEESQSA-N 294.329 3.741 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccccc1OC(C)C 679283704 FLTRLIRSEGPGTJ-AWEZNQCLSA-N 290.407 3.752 30 20 CHED Cc1cc2cc(C(=O)N3CCC[C@@H](CC#N)C3)oc2cc1C 597909936 RXNGKMJGKFHIKU-AWEZNQCLSA-N 296.370 3.816 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cc(Cl)nc(C)n1 741767552 YWHNQPDYAWTLQA-UHFFFAOYSA-N 286.766 3.509 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCc3ccc(F)cc32)c1 748270190 UPUJQWIQNFPCTB-KRWDZBQOSA-N 284.309 3.614 30 20 CHED CCCN(C(=O)CC1CC1)c1cc(Cl)ccc1C#N 598811708 LOECAIQMBQCWKN-UHFFFAOYSA-N 276.767 3.755 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H](C)C(C)(C)C 593958602 LGFRLGFXZPELIQ-KBPBESRZSA-N 286.419 3.630 30 20 CHED CCC[C@@H](C)C(CC)=NNc1cncc(Cl)n1 748249827 HDFMQZKOXJOJSJ-SECBINFHSA-N 254.765 3.744 30 20 CHED CN(CC1=CCSC1)c1cc(C#N)ccc1C(F)(F)F 596554551 UIYQGDJPWMPGEZ-UHFFFAOYSA-N 298.333 3.686 30 20 CHED COC(=O)/C=C/c1ccc(/C=C\C(=O)C2CCCCC2)o1 848638286 FBKIGHXMMBZQEU-DSOJMZEYSA-N 288.343 3.628 30 20 CHED Clc1cccc(C#CCN2CCC[C@H]2C2CC2)c1 676557776 VNXJWCQMZXLJMF-INIZCTEOSA-N 259.780 3.566 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@]12CCC[C@H]1C2 591515472 OBDCEEVZKNXSCI-XHDPSFHLSA-N 274.751 3.535 30 20 CHED CC(C)[C@H]1N(C(=O)CCCCCC#N)CC12CCCC2 590890000 SEWONVIXUSOIFV-MRXNPFEDSA-N 276.424 3.888 30 20 CHED C#CCOc1ccc(C(=O)N(CC)[C@H]2CCCC[C@@H]2C)cc1 741553331 JEIUWQMNBWPQBG-YJBOKZPZSA-N 299.414 3.739 30 20 CHED N#CC[C@H]1CCCN(c2nc3ccccc3n3cccc23)C1 596325865 OPEAPXPTFACSJY-CQSZACIVSA-N 290.370 3.618 30 20 CHED CCOc1cccc([C@@H](C)/N=C\c2ccccc2O)c1 745012585 MTTAIXHLPFYPSA-FDIDITGRSA-N 269.344 3.971 30 20 CHED C[C@H]1CC(=NNCC(F)F)C[C@@H](c2ccccc2)C1 749859504 QTVKVIWHUCHFDX-YPMHNXCESA-N 266.335 3.801 30 20 CHED C[C@@H](CNCC(C)(C)CCC#N)c1cccc(F)c1 742368891 KPOWVDRAPIRSOQ-ZDUSSCGKSA-N 262.372 3.849 30 20 CHED C[C@@H](OC(=O)c1ccccc1CC#N)c1ccccc1 849211289 YVDSVWHGIDJTOW-CYBMUJFWSA-N 265.312 3.671 30 20 CHED FC(F)(F)c1ccc(NN=C2CCCn3ccnc32)cc1 848408185 YMPHOTNJOBQKSE-UHFFFAOYSA-N 294.280 3.512 30 20 CHED Cc1cc(SCC(=O)c2nccn2C(C)C)ccc1C#N 917873737 QNVSFTPUJKCYDI-UHFFFAOYSA-N 299.399 3.619 30 20 CHED CCC(C)(C)CCOC(=O)Cc1ccc(OCC#N)cc1 744340514 UCDWVHPVIULNCC-UHFFFAOYSA-N 289.375 3.501 30 20 CHED C#CC1CCN(C(=O)C[C@H](CC)c2ccc(C)cc2)CC1 843706644 XMQDKZQHEAPWTH-KRWDZBQOSA-N 283.415 3.751 30 20 CHED COCCON=C(C)c1ccccc1OCc1ccccc1 748789488 JVZRDCTYJLYXSY-UHFFFAOYSA-N 299.370 3.653 30 20 CHED CCCCc1ccc(C(C)=NNc2cnccn2)cc1 912962431 WIIJKRKDUOISMV-UHFFFAOYSA-N 268.364 3.655 30 20 CHED CC(=NNCc1ccc(Cl)cc1Cl)c1ccc[nH]1 914696647 GHYQHNYQTSJUHI-UHFFFAOYSA-N 282.174 3.835 30 20 CHED C=CC(C)(C)CNC(=S)Nc1cc(Cl)ccc1OC 840794004 BNMVMJPZOAHBRN-UHFFFAOYSA-N 298.839 3.847 30 20 CHED C#CCCN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 743476562 LIXJVAPGPASSKP-OAHLLOKOSA-N 292.382 3.613 30 20 CHED C=C(C)CCOC(=O)c1ccccc1OCC1CC1 744304438 NKBDHUAFXODFCE-UHFFFAOYSA-N 260.333 3.598 30 20 CHED CC1CCC(C)(NC(=O)CC2(C#N)CCCCC2)CC1 597051271 SXEYZVMNZHKJLH-UHFFFAOYSA-N 276.424 3.936 30 20 CHED C#CCCCNC(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 745900065 VRBFCPUZMOLYTH-ROUUACIJSA-N 298.430 3.686 30 20 CHED Fc1ccc(/C=C\C=NNCc2ccccc2)cc1 747740607 HDBUJALSDYPJTM-NULHITJFSA-N 254.308 3.615 30 20 CHED C#Cc1ccc(C(=O)Nc2cccc(CSCC)c2)cn1 741596582 URHOERUFSBOMTD-UHFFFAOYSA-N 296.395 3.568 30 20 CHED CCCO[C@@H]1CCCN([C@H](C#N)c2ccccc2)CC1 595311056 HTTRTRGTTNNOHP-IAGOWNOFSA-N 272.392 3.532 30 20 CHED CCCCCCO[C@H](C)C(=O)Nc1scc(C)c1C#N 841231914 NDOCVHZGYXWRKX-GFCCVEGCSA-N 294.420 3.852 30 20 CHED Cc1ccc(F)c(/C=C2/Oc3ccccc3C2=O)c1 742435910 DTCJZDULLFGOFJ-OQLLNIDSSA-N 254.260 3.750 30 20 CHED C=CCCOC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 745742695 MOLNPMQTYNOVHC-LBPRGKRZSA-N 289.158 3.536 30 20 CHED C[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)[C@@H]1CCC[C@@H](C)C1 590839755 LGULHKYZXFCGPC-JYYAWHABSA-N 291.439 3.536 30 20 CHED N#CC[C@@H]1CCCN(C(=S)Nc2ccc(Cl)cc2)C1 849271277 FUQRBKMPXQRYIJ-NSHDSACASA-N 293.823 3.662 30 20 CHED Cc1cccc(O[C@H](C)C/N=C\c2ccccc2O)c1 741845719 VUSDGMFDAOBFMV-IIMQCXAKSA-N 269.344 3.587 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCCCCOC(C)(C)C 924393511 FEACJBXWUVGVJQ-UHFFFAOYSA-N 289.375 3.619 30 20 CHED C=C(C)CCOC(=O)c1csc2c1CCCC2 744307089 PQYPXXGJNSRSGG-UHFFFAOYSA-N 250.363 3.750 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1ccc2cc(OC)ccc2n1 684765308 ZXAJSOSDVKUZON-RDTXWAMCSA-N 298.386 3.637 30 20 CHED COc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)c(OC)c1 921263540 FUONNQMKBPTIJL-DHDCSXOGSA-N 294.350 3.835 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1cc(C#N)ccc1F 850445995 ZBTHAQPWSWJFQV-YCPHGPKFSA-N 272.367 3.612 30 20 CHED CCC[C@@H](C)c1noc(-c2cc(C#N)ccc2C)n1 923868875 OXPRIQUETFSFFI-LLVKDONJSA-N 255.321 3.820 30 20 CHED C#CC(=O)NCC(CC)(CC)c1ccc(Cl)c(Cl)c1 754006482 TZICMMKGSFQIHE-UHFFFAOYSA-N 298.213 3.801 30 20 CHED FC(F)(F)C(=NOC/C=C\Cl)c1ccccc1 751956182 ZGGPBRLUDCDEOX-PLBVDPBDSA-N 263.646 3.722 30 20 CHED C=CCC1(NC(=O)NCc2noc3ccccc23)CCCC1 854228707 SJDAEKBZMVQLPV-UHFFFAOYSA-N 299.374 3.516 30 20 CHED CC[C@@H](/N=C\c1cc(OC)ccc1O)c1c(C)noc1C 756847447 SOMSDWGDHFLVQD-KDVQLTRESA-N 288.347 3.576 30 20 CHED C#CCC1(C(=O)Nc2nc(C)ccc2CC)CCCCC1 857641254 JWNNMUQRXTYWCS-UHFFFAOYSA-N 284.403 3.865 30 20 CHED CCCON=CCc1cccc(OC(F)(F)F)c1 853369447 YEWIZLXBIKHMJM-UHFFFAOYSA-N 261.243 3.540 30 20 CHED CC(C)=CCCC(C)=NN=c1cc[nH]cc1Cl 756839548 QKLHSKHPJTXNKG-UHFFFAOYSA-N 251.761 3.691 30 20 CHED C=C(Cl)CNC(=O)c1ccc([C@@H](C)CC)cc1 755382231 OPIZEUIDYLRZAM-JTQLQIEISA-N 251.757 3.682 30 20 CHED Clc1cccnc1NN=Cc1coc(-c2ccccc2)n1 755655440 RJBYWYYRSFBNJD-UHFFFAOYSA-N 298.733 3.836 30 20 CHED Clc1cc(NN=C2CC[C@@H]3CNc4cccc2c43)ccn1 853395362 URPSCZCGKACEDK-SNVBAGLBSA-N 298.777 3.854 30 20 CHED CC(C)=C(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 751191756 VRDPDKWNFRECTC-UHFFFAOYSA-N 290.366 3.776 30 20 CHED Cc1ccccc1C(=NNc1ncc(Cl)cn1)C1CC1 857223422 QWRZSHRFRZGHBB-UHFFFAOYSA-N 286.766 3.665 30 20 CHED C=C(Br)CN(Cc1ccccc1)C1CC1 52440103 GHTPLYKHVMWHIV-UHFFFAOYSA-N 266.182 3.560 30 20 CHED C#CCCOC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 858960365 SUCWGXBOMJDPBQ-QGZVFWFLSA-N 296.370 3.855 30 20 CHED CCOc1ccc(CNc2snc(Cl)c2C#N)cc1 920339755 CFOIYNXKUQORHK-UHFFFAOYSA-N 293.779 3.679 30 20 CHED C#CCCCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C 758688076 NHVCNWZHPWCGHP-INIZCTEOSA-N 286.419 3.877 30 20 CHED C[C@@H]1CCCCN1N=Cc1cnc(C(C)(C)C)s1 853380474 QOKQPPNQWGHCIP-LLVKDONJSA-N 265.426 3.649 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1coc(CCC)n1 851145456 XEXRKROKYCQRLF-TZMCWYRMSA-N 277.364 3.919 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1cccc(OC(C)(C)C)c1 934047712 GVGSGYJVODKSQL-GFCCVEGCSA-N 289.379 3.630 30 20 CHED Cc1ccc(F)cc1C(=O)O[C@H](C)c1cccc(C#N)c1 764615919 XCZBNIXTBNCXDD-GFCCVEGCSA-N 283.302 3.924 30 20 CHED CCCCCCC(C)=NNc1ccc(C(=O)O)cn1 763368972 RKYYLBRJUGZNAZ-UHFFFAOYSA-N 263.341 3.538 30 20 CHED Cc1cccc(NN=C2CC(c3ccccc3)C2)n1 863159781 DNNVFDGJGDVNBC-UHFFFAOYSA-N 251.333 3.736 30 20 CHED C#CCC(C)(C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 767067143 LYNQGHCWGDEQOZ-UHFFFAOYSA-N 296.414 3.592 30 20 CHED CO[C@H](C)C(C)=NNc1cc(Cl)ccc1Cl 763178010 BJFHLNNXCOQHRH-MRVPVSSYSA-N 261.152 3.816 30 20 CHED COc1cc(F)c(NCc2ccc(C#N)c(C)c2)cc1F 767684325 NZCSDPXLZKLZIQ-UHFFFAOYSA-N 288.297 3.766 30 20 CHED CCN(C[C@H](O)c1ccc(C#N)cc1)c1cc(C)cc(C)c1 763491733 CLVGCWAGIOMQSR-IBGZPJMESA-N 294.398 3.735 30 20 CHED FCCC[C@@H]1CCCC1=NNCC(F)(F)C(F)(F)F 863182908 DGPATEMSOFSYDK-QMMMGPOBSA-N 290.251 3.679 30 20 CHED C#CCC(C)(C)C(=O)NCc1csc2ccccc12 767055578 ZFPOFXJGQHYMNL-UHFFFAOYSA-N 271.385 3.567 30 20 CHED COc1ccsc1/C=C/C(=O)c1cccs1 764437677 UQISZJAQKJUABW-SNAWJCMRSA-N 250.344 3.714 30 20 CHED O=C(O)c1csc(/C=C\C(=O)c2ccc(Cl)cc2)c1 765822996 CPYQMPMHFFZHBY-WAYWQWQTSA-N 292.743 3.996 30 20 CHED C=CCCC(=O)COC(=O)C[C@@H](C)c1ccc(F)cc1F 761427756 NVDWTSUIFPSDRM-LLVKDONJSA-N 296.313 3.537 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cccc(F)c1 768371023 ANQSRKMPQWLOAQ-UHFFFAOYSA-N 263.312 3.703 30 20 CHED C=CC(C)(C)CC(=O)NCCc1csc(C(C)(C)C)n1 879344672 DUMVCJKZVCWIRN-UHFFFAOYSA-N 294.464 3.702 30 20 CHED CCCCCCCCCNC(=O)c1cnc(C)nc1C 777292968 IPPCRAMKTZQBEP-UHFFFAOYSA-N 277.412 3.574 30 20 CHED CC[C@H](C(=O)OCc1cccc(C#N)c1F)c1ccccc1 774883432 NNFIOCTZSHCNGY-INIZCTEOSA-N 297.329 3.934 30 20 CHED C[C@H](C#N)CNN=C1CCC[C@H]1c1ccc(Cl)cc1 771098371 KOCBTRXHQOGDMQ-RISCZKNCSA-N 275.783 3.713 30 20 CHED CC1(C)CCC(CNC(=O)Cc2ccccc2CC#N)CC1 776988074 VISRRKCDIZTDPW-UHFFFAOYSA-N 298.430 3.628 30 20 CHED N#Cc1cc(/C=C2/CCOc3ccccc3C2=O)ccc1F 770574572 YLKGKZZSSOMRHJ-LCYFTJDESA-N 293.297 3.746 30 20 CHED Cc1cocc1C(=O)N(c1cccc(C#N)c1)C1CCC1 1119427041 ZGFWBTYNPSQVAH-UHFFFAOYSA-N 280.327 3.659 30 20 CHED C[C@@H]1Cc2ccccc2C1=NOCCC(F)(F)F 777459072 GQIBAIZSXGBZHS-SECBINFHSA-N 257.255 3.552 30 20 CHED CC(CC1CCCC1)=NNc1ccc2[nH]ncc2c1 779820705 MXMNYIUWJANQEM-UHFFFAOYSA-N 256.353 3.931 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 779968427 SIUNLBVUQWOVMH-FUHWJXTLSA-N 299.414 3.559 30 20 CHED C=CCC[C@@H](NC(=O)c1csc(C=O)c1)c1ccccc1 772738936 WLPIIZMCMMUENQ-MRXNPFEDSA-N 299.395 3.998 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C/c2nccs2)CCCC1(C)C 1123826860 CZAUNEAHKZRJMR-GWJCSSMESA-N 290.432 3.750 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)ccc1C 1124900669 VFVYBPDJOLSURV-GDBMZVCRSA-N 270.376 3.565 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)CCCc1cccnc1 880267033 DCCFUTOWTWSIRG-CQSZACIVSA-N 274.408 3.511 30 20 CHED Cc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1F 780187160 CIXHGOYINWWCFV-AWNIVKPZSA-N 268.287 3.662 30 20 CHED COc1ccc(C=NNCCC(C)(C)C)c(Cl)c1 782902766 JNBSWPZHLHOHAD-UHFFFAOYSA-N 268.788 3.708 30 20 CHED CC1(C)CCC1=NNc1nc(C(F)(F)F)cs1 789024517 VVOCVUUINPWKDM-UHFFFAOYSA-N 263.288 3.750 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)CC2(C#N)CCCCC2)C1 1125457380 UOBQUMHXXOQPOJ-CABCVRRESA-N 276.424 3.793 30 20 CHED Cc1cc(Cl)c(N)c(C(=O)OCCCC(C)(C)C#N)c1 783690842 NOBYRNZWCPKXNZ-UHFFFAOYSA-N 294.782 3.717 30 20 CHED COc1cc(C)ccc1C(=O)O[C@H](C)c1cccc(C#N)c1 781464951 PMWLVYGWBJDUPD-CYBMUJFWSA-N 295.338 3.793 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(SC(C)(C)C)cc1 789838116 NZBYSPRWLKKUHZ-LLVKDONJSA-N 276.405 3.720 30 20 CHED N#Cc1ccc(C(=O)OC[C@H]2CCc3ccccc3C2)s1 781660805 WDBGMNZJSDWAAY-LBPRGKRZSA-N 297.379 3.582 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc2cnccc2c1 894809028 RJKQMYANFHRSHY-GFCCVEGCSA-N 253.349 3.975 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 701320565 CCRVDHSHSOBRTL-UHFFFAOYSA-N 294.141 3.754 30 20 CHED C=CC(C)(C)Cc1nc(-c2cnccc2C(F)(F)F)no1 896817708 ADILJDFGUNKOBS-UHFFFAOYSA-N 297.280 3.905 30 20 CHED CC(C)=CCC[C@H](C)CC=NOC[C@H]1CCOC1 788036751 MNZCDEKLCGUMTL-GJZGRUSLSA-N 253.386 3.798 30 20 CHED Oc1ccccc1/C=N\[C@@H]1C[C@H]1c1ccc(F)cc1 788318594 GLHPRBUXCNKMJK-CKUJSUPYSA-N 255.292 3.506 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)s1 785854158 NBJFCNIJDMWIRT-GXMKHXEJSA-N 281.808 3.982 30 20 CHED CC(C)Oc1ccc(N[C@@H]2CCc3cccnc32)cc1C#N 894425647 ZDLINOWYVXPNLD-MRXNPFEDSA-N 293.370 3.840 30 20 CHED C=CC(C)(C)Cc1nc([C@@H](OCC)c2ccccc2)no1 896271116 YYNPUFTXYGHVEM-HNNXBMFYSA-N 286.375 3.950 30 20 CHED COCc1cccc(C=NNc2ccc(C#N)c(Cl)c2)c1 783880757 KVGHTSHMAYIJQA-UHFFFAOYSA-N 299.761 3.804 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1nc(O)c2ccccc2n1 783855410 MCVNKIGHYMQQIK-MNOVXSKESA-N 284.363 3.559 30 20 CHED CC(=NNc1cccc(Cl)c1)[C@]1(C)CCCO1 782113493 OGHRRXMSQKUCCH-ZDUSSCGKSA-N 252.745 3.697 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(Br)c1 104969196 QQWVQBHIYGHNRU-UHFFFAOYSA-N 297.196 3.879 30 20 CHED C=C1CCC(C(=O)Nc2cnn(C3CCCC3)c2C)CC1 897580282 UAPRINPUDJJUHL-UHFFFAOYSA-N 287.407 3.992 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(C(C)(C)CC)cc1 790604351 RGCKDWGNFZHHET-ZDUSSCGKSA-N 272.392 3.860 30 20 CHED CSCCON=Cc1cnc(C2CCCC2)s1 794574059 SDDBASSRAKXBNL-UHFFFAOYSA-N 270.423 3.514 30 20 CHED COC(=O)c1ccc(Cl)c(C=NNc2ccccc2)c1 794845212 KKHOOBDEEWSDMT-UHFFFAOYSA-N 288.734 3.573 30 20 CHED N#Cc1cccc(NN=C/C=C/c2ccc(F)c(F)c2)c1 794887325 UTLQBAJBDJEALC-DEJOLYJJSA-N 283.281 3.948 30 20 CHED CN(CCC#N)C(=O)c1sc2cc(F)ccc2c1Cl 60617359 SGYXQKUSIWZNPH-UHFFFAOYSA-N 296.754 3.679 30 20 CHED FC(F)(F)CCNN=C1CCC(C(F)(F)F)CC1 794553784 ZFWFPRAPYQASDB-UHFFFAOYSA-N 276.224 3.637 30 20 CHED C#CCCCCC(=O)NCC1(CC(C)C)CCCC1 710267872 YGBLHYJTINMCLX-UHFFFAOYSA-N 263.425 3.903 30 20 CHED CC(C)(C#N)CCOC(=O)C[C@H](CC#N)c1ccccc1 795993109 SZVBLWZRJQVBIH-HNNXBMFYSA-N 284.359 3.557 30 20 CHED C#C[C@H](CCC)NC(=O)CCC(C)(C)c1ccccc1 791205108 ODBZHHQLKXNFHF-MRXNPFEDSA-N 271.404 3.663 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc3c(c2)CCCC3)cn1 792886506 UXIJUVVYEOIFEQ-NTMALXAHSA-N 280.371 3.678 30 20 CHED C#C[C@@H](CC)OC(=O)c1c(-c2ccccc2C)noc1C 796849592 HVJONUXRFUUDFZ-ZDUSSCGKSA-N 283.327 3.527 30 20 CHED CC(C)CCOC(=O)c1ccc(C(C)(C)C#N)cc1 796039143 DNMHORYTKTVISW-UHFFFAOYSA-N 259.349 3.691 30 20 CHED CCc1nc(CN(C)Cc2ccc(C#N)c(C)c2)cs1 572219409 BPINHZFJOZQDDW-UHFFFAOYSA-N 285.416 3.518 30 20 CHED C[C@@]1(C=NNc2nc3ccccc3s2)CCCS1 792869064 ITRUUBDWZFOGQH-ZDUSSCGKSA-N 277.418 3.980 30 20 CHED Cc1ccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)cc1C#N 799342879 RWAKSYQITAVKPO-GXTWGEPZSA-N 270.376 3.517 30 20 CHED CCc1cccc(C)c1NN=Cc1cccc(OCC#N)c1 799495988 YOPVFRJKRDGJSR-UHFFFAOYSA-N 293.370 3.906 30 20 CHED COc1cc(C)c([C@H](C)NCC2(CC#N)CC2)cc1C 797586655 JWNKDMBZAQHYIX-AWEZNQCLSA-N 272.392 3.657 30 20 CHED C=C(C)CNC(=S)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 795032462 SXQHUNUWESGXGZ-MQMHXKEQSA-N 294.851 3.626 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCc2cc(C(C)(C)C)ccc21 795915200 QEPARQHQZQSCFN-SFHVURJKSA-N 284.403 3.813 30 20 CHED C=CCNN=C(C)c1ccc(Br)cc1Cl 794994003 KSBJMYKVTDULOM-UHFFFAOYSA-N 287.588 3.602 30 20 CHED C=C(CC)COC(=O)[C@H](OC(C)C)c1ccccc1 796410935 QZTMITLIJLZXOC-OAHLLOKOSA-N 262.349 3.662 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1ccc(Cl)cc1C#N 695714082 QBUAKLVZIDCQPY-LBPRGKRZSA-N 276.767 3.976 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cn(C(C)C)nc1C 798370514 PBXMKKIWPCYRSZ-AATRIKPKSA-N 258.321 3.570 30 20 CHED C#CCN(C(=O)N[C@H]1CCC[C@@H](C)C1)C1CCCCC1 744845417 ZNIDUFPHGZQUSA-CABCVRRESA-N 276.424 3.543 30 20 CHED Cc1cc(CNCC2(C)Cc3ccccc3C2)ccc1C#N 1308329178 NKEZDQSLUOUTRR-UHFFFAOYSA-N 290.410 3.761 30 20 CHED C[C@H](Sc1ccnc(C#N)c1)c1ccccc1F 1306948021 WPPCGKLKIIBPMF-JTQLQIEISA-N 258.321 3.946 30 20 CHED COc1cc(F)cc(Nc2nc(C#N)c(Cl)s2)c1 1162799960 QKOOQTUFQPUKGP-UHFFFAOYSA-N 283.715 3.559 30 20 CHED CCn1c(C(=O)Oc2ccc(C#N)cc2)cc2ccccc21 1317916727 GPMKQXFKBLZJRM-UHFFFAOYSA-N 290.322 3.752 30 20 CHED Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1C#N 1327030843 DKLABKQFOQZBJD-GOEBONIOSA-N 282.387 3.519 30 20 CHED Cc1ccccc1[C@@H]1CCN(C(=O)c2csc(C#N)c2)C1 1324358042 ZNOMZASGTYWGPV-CYBMUJFWSA-N 296.395 3.558 30 20 CHED C#C[C@H](NC(=O)c1[nH]c2ccc(C)cc2c1Cl)C(C)C 1321648211 HSGBTWBEGQEMAG-LBPRGKRZSA-N 288.778 3.517 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)c1ccc(C#N)cc1F 1630365112 NVLPGMJGICFTNQ-SNVBAGLBSA-N 288.347 3.592 30 20 CHED C#Cc1cccc(NC(=S)N2CC[C@@H]3CCCC[C@@H]3C2)c1 1251489927 ZSLNEWMDZBCADX-JKSUJKDBSA-N 298.455 3.877 30 20 CHED C=CCC(C)(C)CNC(=O)c1csc(-c2ccco2)n1 1324305120 QJWSTXNAFPKAEP-UHFFFAOYSA-N 290.388 3.735 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCc2ccccc21 1332363762 GWXDMPYSCRLXSK-UKRRQHHQSA-N 256.393 3.634 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(NC(=O)CC)cc1 1336668739 RDTWXSINSIZJSC-LBPRGKRZSA-N 274.364 3.576 30 20 CHED CCC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nccn1CC 1349703103 VNKPDLWJZFPCFQ-ZIAGYGMSSA-N 275.396 3.542 30 20 CHED CC(C)Cc1ccc(C(=O)[C@@H](C#N)c2cccc(F)n2)cc1 1342562599 QHVBAKXIKZCYET-HNNXBMFYSA-N 296.345 3.909 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cnn(C(C)(C)C)c1 1347670542 KMMOHCLKZQEYRE-CQSZACIVSA-N 290.411 3.601 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1c(F)cccc1Cl 1343383882 RJTZFJQBWXYUSF-HNNXBMFYSA-N 283.774 3.740 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1ccccc1 1274961370 MWYDUMWFITYQMR-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED Cc1ccc(N(C)C(=O)c2ccsc2C#N)cc1Cl 1435105414 ULTVEZCGDAAHMN-UHFFFAOYSA-N 290.775 3.858 30 20 CHED C=C(CC(C)C)C(=O)N[C@H](C)c1ccc(C)s1 1350942974 DPLGKQUFODMERR-GFCCVEGCSA-N 251.395 3.836 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccccc1-c1ccccc1 1289808807 HHTOAPNNDBIZKS-CQSZACIVSA-N 278.355 3.728 30 20 CHED C#CCCCCN[C@H]1C[C@H](OCC)C12CCCCC2 224747272 PNEZQCRDEFNZEP-HOTGVXAUSA-N 263.425 3.507 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(C#N)cc1F 1521748796 WBGCSWDKZGIMRP-GXTWGEPZSA-N 288.366 3.644 30 20 CHED C=C(CC)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1520914462 YQIXBUQZLQQHJU-DLBZAZTESA-N 287.403 3.579 30 20 CHED C=CC[C@@H](Sc1ccc2c(c1)CC(C)(C)O2)C(=O)O 1602848982 JFJIZZTYTNEXDE-CYBMUJFWSA-N 278.373 3.522 30 20 CHED Cc1cc(NC(=O)[C@H](F)CC2CCCCC2)ncc1C#N 1530235251 UGHXHFJXEBROSW-CQSZACIVSA-N 289.354 3.509 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ccc(C(=O)O)o1 1605266877 NBLMZRIDIDAVSE-GFCCVEGCSA-N 295.379 3.704 30 20 CHED Cc1cccc([C@H](C)CNc2cc(C)c(C#N)cn2)c1 1472703240 QKUXWTDRRNHGMV-CQSZACIVSA-N 265.360 3.786 30 20 CHED N#Cc1c(F)cccc1NCc1ccc(-c2cnco2)cc1 1472894888 OBKGPKOXUUFWOO-UHFFFAOYSA-N 293.301 3.964 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)c2cccs2)c1 1625601963 SYOMGFSWVXZALY-NSHDSACASA-N 285.372 3.811 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1C 1562450363 MJUXKICRVTXDFQ-HUUCEWRRSA-N 285.391 3.815 30 20 CHED N#Cc1ccc(-c2nc([C@@H]3CCCCS3)no2)cc1 231028847 MUMWVBMIYFLRJW-LBPRGKRZSA-N 271.345 3.566 30 20 CHED CC1(CNC(=O)Nc2cc(C#N)ccc2F)CCCCC1 1672125389 BDAHZAQNLYEBRZ-UHFFFAOYSA-N 289.354 3.789 30 20 CHED CC(=NNc1ccc(C(=O)O)nc1)C1CCCCCC1 1776070627 YYHQFNSBNIFPGC-UHFFFAOYSA-N 275.352 3.538 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)[C@@H]1CCCC[C@@H]1C 1776037167 DMVXTOLMTCDFJG-XHDPSFHLSA-N 274.364 3.999 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)[C@H](C)C1 1776074536 GIJABZMOTPMKNK-VHSXEESVSA-N 278.327 3.748 30 20 CHED C=CCCC[C@@H](NCc1ccc(C2CC2)c(C)c1)C(=O)O 1776171063 CXVLCIHVSMDHDC-QGZVFWFLSA-N 287.403 3.772 30 20 CHED C=C(C)CCCN(CC(=O)O)Cc1ccc(Cl)cc1 1776138585 KICIKLSRMQVLSI-UHFFFAOYSA-N 281.783 3.583 30 20 CHED O=C(O)c1ccc(NN=Cc2cscc2Cl)cc1F 1776074624 KQIMBDBVYRSEPO-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2cc(C)cc(C)c2)CC1 1776161962 JPQYIGSZNLWVHA-UHFFFAOYSA-N 287.403 3.546 30 20 CHED C=CCC1(C(=O)O)CCN([C@@H](C)c2cccc(C)c2)CC1 1776157521 XNFUIMHFYAZQCN-HNNXBMFYSA-N 287.403 3.799 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC[C@@H]2CCC[C@@H](C)C2)C1 1776153274 ZBRIXLGKHQGTAO-RYRKJORJSA-N 293.451 3.946 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(Cc2cc(C)cc(Cl)c2)C1 1776161959 JKMPUSVPWYVESV-MRXNPFEDSA-N 293.794 3.501 30 20 CHED C=CCN(Cc1ccc(Cl)cc1)CC1(CC(=O)O)CC1 1776180547 KAEKNHGKBWRTNC-UHFFFAOYSA-N 293.794 3.583 30 20 CHED Cc1c(NN=C[C@@H]2C[C@@H]2c2ccccc2)cccc1C(=O)O 1776087525 HXMVLLBBGISYFM-GOEBONIOSA-N 294.354 3.895 30 20 CHED COc1cccc(/C=N/CC2(c3ccccc3)CCC2)c1O 11121545 ZKTKDPWDUFJRDL-DEDYPNTBSA-N 295.382 3.942 30 20 CHED CCCCCCCC(=O)N1CCCCC[C@@H]1C[C@H](C)O 125207792 KZGMWWHSCZARQS-JKSUJKDBSA-N 283.456 3.889 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CCC3(CCC3)C2)cc1 151898476 TWGPCXCMNRZOBG-UHFFFAOYSA-N 297.402 3.896 30 20 CHED C[C@H](Cc1ccccc1Cl)C(=O)[C@H](C#N)c1ccccn1 155104683 XMDIPLWUNPQZHY-TZMCWYRMSA-N 298.773 3.790 30 20 CHED C#CCOc1cc(F)ccc1NCCCC(C)(C)C#N 154145371 OLGMDACXSJGNQR-UHFFFAOYSA-N 274.339 3.580 30 20 CHED COc1ccc(C(=O)/C=C/c2ccsc2)c(OC)c1 6338327 UIWDZLVZMHRBAK-ZZXKWVIFSA-N 274.341 3.661 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)CCc2ccccc2)n1 44482816 VEMBRIWBLFGFIA-CYBMUJFWSA-N 265.360 3.695 30 20 CHED CSCCCSCc1cccc(C#N)c1F 320280768 BFDWNPFGJKDJNB-UHFFFAOYSA-N 255.383 3.684 30 20 CHED Cc1ccc([S@@](=O)Cc2ccc(CC#N)cc2)cc1C 342129723 HFJOEYNMWSMQEM-FQEVSTJZSA-N 283.396 3.677 30 20 CHED N#CCc1ccc(CN2CCC[C@H]3CCC[C@@H]32)cc1 343538263 TWTUZYUUKCQDLW-SJORKVTESA-N 254.377 3.517 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 358066117 NNLVPARDNWVOJZ-CMPLNLGQSA-N 296.823 3.629 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H](C)C1 361872521 HOYRXVNDHURLJN-CHWSQXEVSA-N 260.356 3.565 30 20 CHED C[C@@H]1CSC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 397822568 KKXPXGNMIDOITR-PRHODGIISA-N 286.322 3.740 30 20 CHED CCN(CC#N)C(=O)CC1CCC(c2ccccc2)CC1 108163527 PYQPSUZJGONDAE-UHFFFAOYSA-N 284.403 3.723 30 20 CHED CC1(C)C[C@H](CNc2cccc(Cl)c2C#N)CCO1 413338829 PFBVBVKAIMUDRP-LLVKDONJSA-N 278.783 3.829 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)C1 343531920 DNNYFUBYXKHUMD-IAGOWNOFSA-N 288.460 3.859 30 20 CHED N#Cc1ccc(CCC(=O)NC2CCCCCCC2)cc1 10755016 OLLHGHSCYPXRBU-UHFFFAOYSA-N 284.403 3.720 30 20 CHED Cc1ccccc1O[C@@H](C)CNCC(C)(C)CCC#N 174590619 APUGYOTXYCVYTM-HNNXBMFYSA-N 274.408 3.682 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1C[C@H]2CCCC[C@H]2C1 177546232 POIRDPRBCKSHRU-XYPHTWIQSA-N 254.377 3.741 30 20 CHED CC(C)(C)c1ccc(CS(=O)(=O)CCCCC#N)cc1 59589904 FLTJNOXYNIFHDQ-UHFFFAOYSA-N 293.432 3.593 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(-c2ccco2)on1 173538488 HESWBIIDCBXBBE-UHFFFAOYSA-N 287.363 3.696 30 20 CHED CC(C)C[C@@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 178829986 BTJPUAJKBRQRPX-GFCCVEGCSA-N 290.411 3.671 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC1(C)CCCC1 178544762 UYSLDNLZSISKLI-UHFFFAOYSA-N 271.364 3.569 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)c2sccc2C#N)c1 52036582 GHWNHALOPLLDOY-OAHLLOKOSA-N 296.395 3.906 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(C(C)=O)cc2)s1 110239681 GTWJFIJEFVFLNI-UHFFFAOYSA-N 298.367 3.637 30 20 CHED CCN(Cc1ccc(Br)cc1C#N)CC1CC1 310357973 IWRPYGCLZZLVPM-UHFFFAOYSA-N 293.208 3.553 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 135408336 IGQOKSSDTBZJLN-NSHDSACASA-N 267.288 3.640 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCOc3ccccc32)s1 176959420 XQSLXGBTOGJUMK-OAHLLOKOSA-N 284.384 3.623 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cccc(F)c1 65775708 FJLMYJFECYRJFR-UHFFFAOYSA-N 283.346 3.697 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cnn(C)c2C)c(C)c1 179853072 JXQBJPSQCKWTDA-VOTSOKGWSA-N 268.360 3.550 30 20 CHED C=CCSc1ccccc1NC(=O)CN(C)[C@H](C)CC 68450483 MBNZKJKRQQWNJU-CYBMUJFWSA-N 292.448 3.634 30 20 CHED CCN(C[C@H]1CCCCO1)[C@H](C)c1ccc(C#N)cc1 249758141 JDNMMSQBBVHWRL-RHSMWYFYSA-N 272.392 3.510 30 20 CHED C=CCCCN1CCC[C@@H](c2nc3ccccc3o2)C1 117872831 LZASUJLYUUSRRQ-CQSZACIVSA-N 270.376 3.973 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 178109572 XMIJZGSNBCSATC-YPMHNXCESA-N 276.405 3.661 30 20 CHED C=CCCNc1cc(F)c(F)cc1Br 306502340 HJDZDIANLSDBAZ-UHFFFAOYSA-N 262.097 3.715 30 20 CHED C=CCCCC(=O)NCc1cc(C(CC)CC)no1 175859677 BKIHUEFCUIOKOH-UHFFFAOYSA-N 264.369 3.551 30 20 CHED C[C@H](NCCCN(C)c1ccccc1)c1ccc(C#N)cc1 20826786 JGIRWTAJJJQXKO-INIZCTEOSA-N 293.414 3.735 30 20 CHED C=CCCCC(=O)NCc1cccc(-c2ccccn2)c1 178609870 DANFGMBCUUSTIM-UHFFFAOYSA-N 280.371 3.721 30 20 CHED C[C@@H]1CC[C@H](Nc2ccc3cc(C#N)ccc3n2)C1 302571338 ZEOXMEKNJRXJMR-RISCZKNCSA-N 251.333 3.707 30 20 CHED CCCCC[C@@H](NC(=O)NCCCCC#N)C(C)(C)C 172071034 SWVUSXNHVICTRH-CQSZACIVSA-N 281.444 3.974 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)CC1 176439951 NMLOQPSFYDTDQJ-JTQLQIEISA-N 283.824 3.930 30 20 CHED Cc1cc([C@H](C)Nc2ccnc(C#N)c2)c(C)s1 61812023 ASVUDRQXDOJKAM-JTQLQIEISA-N 257.362 3.805 30 20 CHED CCSCc1cccc(Nc2nnc(C)c(C)c2C#N)c1 301405595 GNDBRXVKYWWZAO-UHFFFAOYSA-N 298.415 3.962 30 20 CHED CC(C)(C)OC(=O)CCCCCN[C@H]1CCC[C@H](C#N)C1 185895009 JTNOIEXSHGJTAQ-GJZGRUSLSA-N 294.439 3.560 30 20 CHED COc1cc(C)c(NCC(C)(C)CCC#N)cc1F 187482210 KVKZPFIRJWOZFQ-UHFFFAOYSA-N 264.344 3.885 30 20 CHED Cc1ccc(N/C(N)=N/Cc2cccc(Cl)c2)cc1C 303711215 PCDVNXFIPQNERH-UHFFFAOYSA-N 287.794 3.884 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(-c2ccccc2)cc1 181847375 SDYXHHSQSCNRAC-UHFFFAOYSA-N 265.312 3.813 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccc(-c2ccccc2)cc1 71629314 XIQISPNWPMUBLJ-KRWDZBQOSA-N 278.355 3.632 30 20 CHED CCN(Cc1ncc(-c2ccc(C)cc2)o1)C[C@H](C)C#N 75678131 RVGKJVHGMYSWAM-CQSZACIVSA-N 283.375 3.632 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)cc1F 187795312 JVCUXFVLBNNSRI-AWEZNQCLSA-N 285.746 3.646 30 20 CHED C=CCC[C@H](C(=O)NCc1ccco1)c1ccccc1 189358303 LOGMIUOYBLGLJK-INIZCTEOSA-N 269.344 3.646 30 20 CHED N#Cc1ccc(CN(Cc2ccccc2F)C2CC2)s1 120568610 ICICXPOHCQKJOP-UHFFFAOYSA-N 286.375 3.923 30 20 CHED N#Cc1cnc(N2CCCC[C@@H]2Cc2ccccc2)c(F)c1 413163905 BRKQFDRMUORADI-MRXNPFEDSA-N 295.361 3.694 30 20 CHED CC[C@@H]1CC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 417369928 RZYJLBFGTSYIBR-XOKHGSTOSA-N 254.377 3.714 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)c(F)c1 188278519 ZNNDCEOATLBHIL-CQSZACIVSA-N 285.746 3.646 30 20 CHED C=CCC[C@@H](C)Nc1ccc(CN(C)C)cc1F 414503050 VLFUIJIZYFZBIA-GFCCVEGCSA-N 250.361 3.654 30 20 CHED N#Cc1ccc(NCc2ccco2)c(Br)c1 37072114 MFYBCMNPTKUKQQ-UHFFFAOYSA-N 277.121 3.526 30 20 CHED CCC(CC)CN(CC)C(=O)c1cccc(F)c1C#N 186696653 FPPPEEFDKIRVGZ-UHFFFAOYSA-N 276.355 3.596 30 20 CHED C=CC[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 185995309 OPGWHNHBXLGTGF-SFHVURJKSA-N 295.382 3.671 30 20 CHED C[C@@H](N[C@H]1CCOc2c(F)cccc21)c1ccc(C#N)cc1 188053008 OFASKYVZUKUVDD-PXAZEXFGSA-N 296.345 3.872 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)Cc1cccs1 180468302 CEYIXFRMTXPZFW-QWHCGFSZSA-N 280.437 3.723 30 20 CHED C=C[C@@H](C)N[C@H]1CCc2cc(Br)ccc21 157225416 CKYXHZSHXXQENC-RNCFNFMXSA-N 266.182 3.601 30 20 CHED C[C@@H]1CC(Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 122833730 ZJQILAAUDHDWJY-NXEZZACHSA-N 264.756 3.580 30 20 CHED CC[C@@H](CC#N)NC(=O)c1sc(-c2ccccc2)nc1C 183956254 FQQTYTRHIIMAHH-ZDUSSCGKSA-N 299.399 3.541 30 20 CHED N#C[C@@H](NC(=O)c1sccc1Cl)C1CCCCC1 126470577 MVFSJJVUUVRDLK-LLVKDONJSA-N 282.796 3.604 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 77611344 GRYZAHRBRIZXLZ-RHSMWYFYSA-N 299.418 3.668 30 20 CHED CCN(CC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412364618 XNFSQSRXMCFZEM-JKSUJKDBSA-N 284.403 3.556 30 20 CHED Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c(C#N)cc1N(C)C 415692825 MRMLLAGFEXMSKL-TZMCWYRMSA-N 299.418 3.698 30 20 CHED CC(C)(C)c1csc(NC(=O)CC(F)(F)F)c1C#N 410924843 FGZNGANFNCOHEV-UHFFFAOYSA-N 290.310 3.808 30 20 CHED Cc1nccnc1[C@H](C)Nc1cccc(OCCCC#N)c1 188332539 VSZNLYBUVRTTSS-AWEZNQCLSA-N 296.374 3.641 30 20 CHED C=C(C)CCc1noc(C[C@H](C)c2ccc(OC)cc2)n1 508680127 OLDPNVBEGNSPPB-ZDUSSCGKSA-N 286.375 3.933 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCC1(C#N)CCOCC1 410384845 WGUNTKLHXZQNMN-ZACQAIPSSA-N 290.451 3.740 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)CCc1ccco1 45054106 XENAFUAQKHAEAY-AWEZNQCLSA-N 299.370 3.596 30 20 CHED CCN(C[C@H](C)C#N)C(=O)Cc1coc2c(C)c(C)ccc12 47534102 DXWNRCUZKCDETQ-GFCCVEGCSA-N 298.386 3.600 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CCC3(CCCCC3)O2)n1 329216539 OQKHEUZVPHJABC-HNNXBMFYSA-N 285.391 3.556 30 20 CHED C=CCn1c(C)nnc1N(C)Cc1ccc(C(C)C)cc1 508885413 PJNZIAYZBYQESV-UHFFFAOYSA-N 284.407 3.532 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@@H]1CCC[C@H](C)C1 329269567 GWFKGFNZZPRCDZ-JOYOIKCWSA-N 293.436 3.909 30 20 CHED CCC(CC)C(=O)N[C@H](CCC#N)c1ccccc1 193144620 VOXOAPNJNCKJSE-OAHLLOKOSA-N 258.365 3.584 30 20 CHED N#Cc1ccc(N2CCC(Cc3ccc(F)cc3)CC2)nc1 507036943 MCUMIQPBIXHCNQ-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C=CCC(C)(C)CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 379930121 UJJPMFHOITXLBV-AWEZNQCLSA-N 296.455 3.578 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(Cc2cc(C#N)n(C)c2)C1 191386074 WMGBBYWQEVONNS-RDJZCZTQSA-N 293.414 3.583 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 84710381 HMZXGWOBXGHEIE-JSGCOSHPSA-N 289.375 3.597 30 20 CHED CC[C@@H]1C[C@H](/C(O)=N/[C@H]2CC23CCCCC3)CC(O)=N1 329754944 LCTZWUKCTOUCDY-XQQFMLRXSA-N 278.396 3.811 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)ccc1C(C)=O 425560844 NBGTZCYTYUKWLM-UHFFFAOYSA-N 263.312 3.569 30 20 CHED CN(Cc1cc(C#N)ccc1Br)CC1CCC1 191789426 BPNFFSWNRQNOJH-UHFFFAOYSA-N 293.208 3.553 30 20 CHED C#Cc1cccc(NC(=O)NCc2ccc(Cl)s2)c1 43982342 TXWXQCRYAMTMSJ-UHFFFAOYSA-N 290.775 3.705 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)c1ccncc1 131695828 IFHYSCSSKUSMMV-MRXNPFEDSA-N 294.398 3.790 30 20 CHED N#CCOc1cc(F)ccc1N[C@@H]1CCc2ccccc2C1 132913933 RHAMYEHFQXMOIJ-MRXNPFEDSA-N 296.345 3.697 30 20 CHED C=CCC[C@@H](NCc1nc(C(F)F)no1)c1ccccc1 425456690 JVFDXRABMSPEPU-GFCCVEGCSA-N 293.317 3.804 30 20 CHED C=CCC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CCC1 191940611 VRUIASSXAQCDKP-CQSZACIVSA-N 288.778 3.767 30 20 CHED OC(=Nc1ncn(C2CCCCC2)n1)C1CCSCC1 329406531 CEAQPZCSDHNQIA-UHFFFAOYSA-N 294.424 3.515 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1OC 134506578 IYOCRBBUGPPIGY-ZZXKWVIFSA-N 299.351 3.533 30 20 CHED Cc1nsc(C)c1-c1noc(-c2ccc(CC#N)cc2)n1 426636056 CWNGEMHXECXJQS-UHFFFAOYSA-N 296.355 3.543 30 20 CHED Cc1cc(C#N)ccc1-c1nc(C2CCCC2)no1 178576524 VAVJCPXCYJNAAR-UHFFFAOYSA-N 253.305 3.574 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@@H](C#N)C2CCCCC2)s1 330575577 MDYDLXIBROORBM-LBPRGKRZSA-N 291.420 3.791 30 20 CHED C=CCC(CC=C)C(=O)NCc1c(Cl)cccc1OC 191889622 QALWCLHRVSYTAS-UHFFFAOYSA-N 293.794 3.733 30 20 CHED N=C(O)C1(C/N=C(/O)C[C@H]2C=CCCC2)CCCC1 330208153 AWPIFQXOLJZJTI-LBPRGKRZSA-N 264.369 3.785 30 20 CHED C[C@H]1C[C@@H]1c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 334303134 CVIOPFQRGNMNPB-GWCFXTLKSA-N 267.332 3.661 30 20 CHED N#C[C@@H](NC(=O)c1ccoc1Cl)c1ccccc1Cl 192350072 ZSDZLBICBSTVAV-LLVKDONJSA-N 295.125 3.581 30 20 CHED CCOc1cccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c1 192153081 LXNNJZZEJCRBOT-CYBMUJFWSA-N 298.361 3.947 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1cccnc1Cl 194587450 AZRZCFPVWZEYBG-BQYQJAHWSA-N 268.703 3.503 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc(F)ccc1Cl 339932368 VBEDVRVKRUAODK-UHFFFAOYSA-N 296.773 3.881 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ncco2)cc1 335681487 JPFBKCLZJYTEFU-OAHLLOKOSA-N 297.358 3.914 30 20 CHED C[C@H]1CN(C(=O)CC(C)(C)C#N)CC[C@@H]1c1ccccc1 336557347 KWKOVRAZYSDMIA-HOCLYGCPSA-N 284.403 3.578 30 20 CHED CC(C)C1(CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 425472259 HCAOGSXKCQXESA-CQSZACIVSA-N 299.418 3.697 30 20 CHED C=CCOCCN[C@H](C)c1nc(-c2ccccc2)cs1 339085751 HYEINKXVIIMFSQ-CYBMUJFWSA-N 288.416 3.663 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CC(F)F)c1ccccc1 420923197 WTDVVQHYENSEPY-AAEUAGOBSA-N 282.334 3.647 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CC(F)(F)F)C1 421954340 GLYJCILHSYQFKC-WCQYABFASA-N 277.330 3.780 30 20 CHED CC(C)c1cccc(N=C(O)N[C@H]2CCC[C@@H]2C#N)c1 330756316 DNZXGMDYWHPBLD-HIFRSBDPSA-N 271.364 3.637 30 20 CHED CN(/C(O)=N/Cc1ccc(O)cc1)C1CCC(C)(C)CC1 331338282 LMEQLIQDRGAWJS-UHFFFAOYSA-N 290.407 3.707 30 20 CHED O=C(O)C1(C/C(O)=N/[C@@H]2C[C@H]2C2CCCCC2)CCCC1 330351610 MMJXOKXNMDIYJE-UONOGXRCSA-N 293.407 3.947 30 20 CHED CC(C)C1CCN(c2c(C#N)cnc3ccccc23)CC1 230914610 HWKUMNDHKPSMBY-UHFFFAOYSA-N 279.387 3.979 30 20 CHED CC[C@H](C)CN(CC)Cc1ccc(O[C@@H](C)C#N)cc1 93844916 RNXKEZFJCGDKCJ-GJZGRUSLSA-N 274.408 3.845 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)o1 430589819 FRPWSAIXVUXGPU-JTQLQIEISA-N 288.372 3.832 30 20 CHED C[C@@]1(CNc2ccc(C#N)nc2)C[C@@H]1c1ccccc1 338740036 LXIBGADYJPBLDQ-SJORKVTESA-N 263.344 3.559 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1CC1(C#N)CC1 439324299 RWLWQDOVCGSBKU-HOCLYGCPSA-N 254.377 3.558 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1nc2ccsc2s1 439515228 PHOHURYOOGSMMZ-QMMMGPOBSA-N 281.406 3.834 30 20 CHED N#Cc1cccc(CN[C@H]2CCCc3ccc(F)cc32)c1 93115899 KGDYMORDIDJZBV-SFHVURJKSA-N 280.346 3.865 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](C)CC2)c1 332268552 DFZJCSIOWPWDHE-GFCCVEGCSA-N 271.364 3.521 30 20 CHED CCCN(CC#N)Cc1cc2cc(C)c(C)cc2o1 92398361 WNPIQULJIQUWRE-UHFFFAOYSA-N 256.349 3.785 30 20 CHED C[C@H]1CCC[C@@H](c2noc(Cc3ccc(C#N)cc3)n2)C1 230997506 GNWJEMWKCSRVRS-SWLSCSKDSA-N 281.359 3.826 30 20 CHED Cc1cscc1NC(=O)[C@@H](C)c1cccc(C#N)c1 336579330 PMQRBISWDRXZHS-NSHDSACASA-N 270.357 3.670 30 20 CHED Cc1cccc(N(C)Cc2ccc(C#N)s2)c1C 438263969 YZQXMLKAEHGPKX-UHFFFAOYSA-N 256.374 3.873 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N[C@@H]1CC=CCC1 346439794 ICYTZSAOVXVTNO-GFCCVEGCSA-N 285.297 3.905 30 20 CHED CC[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)Oc1ccccc1F 248802717 JURGUKTUHORNQD-RBSFLKMASA-N 290.382 3.655 30 20 CHED CCOc1cccc([C@H]2C[C@H]2Nc2nccc(C)c2C#N)c1 343537364 MSEXABUQOZNUBK-NVXWUHKLSA-N 293.370 3.628 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 529475440 XWXWPEYFAGAKFW-MELADBBJSA-N 264.413 3.647 30 20 CHED Cc1nnc(S[C@H](C#N)C2CC2)n1[C@@H]1CCC[C@H](C)C1 601080212 OAMOQCSXAYDXAD-ZLKJLUDKSA-N 290.436 3.732 30 20 CHED Cc1ccc2c(c1)[C@@H](NC[C@@H](C)CCC#N)CCC2 602665105 QLQUOLHKGZRPOJ-YOEHRIQHSA-N 256.393 3.902 30 20 CHED C=CCOCCCN(CC)[C@@H](C)Cc1ccsc1 348102327 MTDSEWROWSHLLS-AWEZNQCLSA-N 267.438 3.594 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCCS1 341112611 FWJJIRSONSEXGV-OAHLLOKOSA-N 293.407 3.626 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cnn(-c2ccc(C)cc2C)c1 342353107 JXJJNIDLZGTSLB-CQSZACIVSA-N 298.390 3.575 30 20 CHED Cc1cc(NCc2ccc(C#N)s2)cnc1Cl 181853408 PBQYFEYCUPMOPT-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C[C@H](NCC1(C#N)CCC1)[C@@H]1C[C@H]1c1cccs1 602693015 AAYOQACJKCXRBP-RWMBFGLXSA-N 260.406 3.524 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(F)c(C(F)(F)F)cc1F 346869847 JOCIYFATZBUALO-QMMMGPOBSA-N 292.251 3.575 30 20 CHED C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@H]1C 252812590 QHXGWGWMKPXROT-RYUDHWBXSA-N 262.784 3.832 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@@H](C)c1ccco1 528181597 YZFWQIIQXFPDIB-GFCCVEGCSA-N 298.342 3.682 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc3occc3s2)C1 609880169 AOCALQRVZRSHLF-ZUZCIYMTSA-N 288.372 3.697 30 20 CHED CC1=CCC[C@H](C)[C@H]1CN(CCC#N)Cc1ccco1 443417316 WLXBXZZUNYBCKA-RDJZCZTQSA-N 272.392 3.988 30 20 CHED C=CCC1(C(=O)Nc2cnc([C@@H](C)CC)nc2)CCC1 358181380 KNERWSNZVMRROA-LBPRGKRZSA-N 273.380 3.675 30 20 CHED C[C@@H](c1noc(-c2ccc(C#N)s2)n1)c1cccs1 357022125 SLKZTYQTOOXBLS-MRVPVSSYSA-N 287.369 3.883 30 20 CHED CC[C@H](CC#N)NC(=O)CCc1ccc(Cl)cc1Cl 183891143 OQLXGQPEEUHHIB-GFCCVEGCSA-N 299.201 3.734 30 20 CHED Oc1nc2ccccc2cc1/C=N\Cc1cccs1 255415741 JDFUYRBMIWBUBT-SXGWCWSVSA-N 268.341 3.621 30 20 CHED CC(C)N(Cc1ccc(F)cc1)CC1(CC#N)CC1 602768458 IZUBYRPZQHLMQF-UHFFFAOYSA-N 260.356 3.730 30 20 CHED C=CCOCCCC(=O)N1CCc2ccccc2[C@H]1CC 608135750 MNZWQQMBZNTLHM-QGZVFWFLSA-N 287.403 3.505 30 20 CHED C=C(C)[C@H](CC(=O)NCC[C@@H]1CCCC[C@H]1C)OCC 535887616 FPGRKPPANOMYDV-PMPSAXMXSA-N 281.440 3.690 30 20 CHED N#CC1(F)CCN(Cc2ccc(C3CCC3)cc2)CC1 352448400 GWHLLDSLLZZHMM-UHFFFAOYSA-N 272.367 3.782 30 20 CHED CC[C@@H](CC#N)N[C@H](C)CCc1c[nH]c2ccccc12 602609260 AOPWMYVMYHRXJF-HIFRSBDPSA-N 269.392 3.771 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 356769051 MICHFHWITLXXQU-ZSHCYNCHSA-N 278.440 3.847 30 20 CHED CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CC1(C)C 356402724 ZFGPLTKYLBYCIL-ZDUSSCGKSA-N 282.309 3.807 30 20 CHED N#C[C@H]1CC[C@H](NCCCCCOC2CCCCC2)C1 442792673 OUVVYXFFUIXNHG-HOTGVXAUSA-N 278.440 3.788 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H]1CCCC[C@H]1C 444681170 YOFZSXWIVZRSQS-CZUORRHYSA-N 272.392 3.577 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 353664988 ZVSBVDHGSAVFIC-KBPBESRZSA-N 287.407 3.611 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](COC)c1ccc(CC)o1 532235920 NDLLIYKQQMUZGA-GZBFAFLISA-N 265.397 3.720 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N1CCC[C@](C)(C#N)C1 612167955 ZRODIGNZJMXFSH-IAQYHMDHSA-N 264.319 3.651 30 20 CHED C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)c1ccco1 610171172 IEKQRYBWKBQZRU-CYBMUJFWSA-N 298.342 3.704 30 20 CHED CCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCOC(C)(C)C1 351929177 WAXFRXLAQHCYGK-KRWDZBQOSA-N 286.419 3.646 30 20 CHED N#Cc1ccc(CNCc2cccc3[nH]ccc23)cc1Cl 619749060 ZBZYIKFODJLOPI-UHFFFAOYSA-N 295.773 3.983 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCc1ccccc1F 610901264 BLIWRFKCLNHYSM-UHFFFAOYSA-N 282.318 3.577 30 20 CHED C=C(C)COCCN[C@H]1CCCc2ccc(C)cc21 358286004 KKHHXLSHZVJSMF-KRWDZBQOSA-N 259.393 3.555 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3cc(F)c(F)c(F)c32)C1 449584351 JOJBYBPMLJITRQ-SUZMYJTESA-N 294.320 3.763 30 20 CHED CC[C@H](NCc1ccccc1F)c1ccc(C#N)cc1 447508398 CACCSDSAGRGUII-KRWDZBQOSA-N 268.335 3.938 30 20 CHED CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccncc1 353271456 YMWDHWPMXRBPOO-ZWKOTPCHSA-N 277.371 3.681 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCc2ccc(C#N)cc21 612483235 BCVTUQVZOAJHSV-CYBMUJFWSA-N 284.403 3.910 30 20 CHED C[C@H](CCNC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612117524 TTWSLBGLDPKKML-CRAIPNDOSA-N 299.418 3.515 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CC23CCCC3)s1 531330165 FZNBCRQZKKWKEQ-LBPRGKRZSA-N 274.389 3.701 30 20 CHED C=C[C@H](CC(=O)N1CCC(F)(F)C[C@H]1C)c1ccccc1 530011717 NCNRPHAYFIPHTB-ZIAGYGMSSA-N 293.357 3.993 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl 354492109 PKNXFODCIDAXFV-CWSCBRNRSA-N 296.773 3.599 30 20 CHED C[C@H](NCCCCC1CCOCC1)c1cccc(C#N)c1 619621164 WYXYTFPVHSOSBV-HNNXBMFYSA-N 286.419 3.806 30 20 CHED Cc1cc(C)c(C#N)c(N2CCc3ccc(Cl)cc3C2)n1 534881465 JTTHROHMKZKPND-UHFFFAOYSA-N 297.789 3.786 30 20 CHED C=CCC1(C(=O)N2CCc3ccccc3C2)CCCC1 449041949 PLKJONNREYNIRE-UHFFFAOYSA-N 269.388 3.708 30 20 CHED Cc1ccc(C2(CNC[C@@H](C#N)CCC#N)CCC2)cc1C 618948526 ZNGQFPUCCIQPKX-QGZVFWFLSA-N 295.430 3.758 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 618690005 ZYGCJPBIDGGQSI-BLIJAFNYSA-N 282.387 3.631 30 20 CHED N#Cc1ccc(CNc2nccc3occc23)cc1Cl 619747279 RCKMBJSTZCPKLP-UHFFFAOYSA-N 283.718 3.965 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ccc1C#N 619548985 STOLZIFRITUHLO-GOEBONIOSA-N 299.418 3.644 30 20 CHED C=C(C)CN(CC)CCCOCCc1ccccc1 613394364 WUDZTBFYBOAZKR-UHFFFAOYSA-N 261.409 3.534 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](CC)OC2CCCC2)C1 617784572 ULMZJNPNJUVQGL-HOCLYGCPSA-N 279.424 3.539 30 20 CHED Cc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)[C@@H](C)C2 459725586 DDZACKDWBPMEPI-BBRMVZONSA-N 256.393 3.758 30 20 CHED C=CCOc1cccc(NC(=O)N2CC3CCC2CC3)c1 362341626 OORYLFODSMOTBF-UHFFFAOYSA-N 286.375 3.658 30 20 CHED C#CC[C@H](NC(=O)C(CC=C)CC=C)c1ccccc1 270171365 AIDXZCIZHQGNSW-KRWDZBQOSA-N 267.372 3.636 30 20 CHED C#CC[C@H](NCc1ccc(OC)c(C)c1)c1ccccc1 270135378 ABEUMPRRFWOMJL-SFHVURJKSA-N 279.383 3.858 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2cccc(OCC#N)c2)CS1 276840000 BYZSPDMFBVYRBM-UKRRQHHQSA-N 276.405 3.531 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 455371996 UNMQVJNSACRFRP-HOCLYGCPSA-N 286.419 3.786 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1ccc(F)c2ccccc12 360610719 KSBCJIANQBAMPV-GFCCVEGCSA-N 284.334 3.850 30 20 CHED C=CCC[C@@H](C)NC[C@H](OC)c1ccc(Cl)cc1 544565338 KOOAAOVWUFRNKY-DOMZBBRYSA-N 267.800 3.972 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC(F)F)c(OC)c1 620265801 KZGJITFZBRNLDA-HNNXBMFYSA-N 299.317 3.837 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 458610629 CTNKSJAYNRYGFF-MAZHCROVSA-N 276.424 3.561 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1cc(C)c(F)c(C)c1 546003959 BYAFHINAGHKXLD-UHFFFAOYSA-N 298.317 3.575 30 20 CHED CCCCCCC[S@](=O)Cc1cc(OC)cc(C)n1 274372473 UDKNTGLSRYTBBW-IBGZPJMESA-N 283.437 3.618 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 620858533 IIXPXJLVKGGEKE-UONOGXRCSA-N 293.357 3.929 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccc(C#N)c1 452528736 NYYMDCVPLXBHHX-YSVLISHTSA-N 284.403 3.604 30 20 CHED C=CCC1(CNC(=O)NC[C@H]2CCCSC2)CCCC1 454966554 YBKSFAIKLHUQMU-CQSZACIVSA-N 296.480 3.565 30 20 CHED COCC[C@@H](NCCCCC(C)(C)C#N)c1ccco1 278942489 YEISRNOSHKGWPL-CQSZACIVSA-N 278.396 3.667 30 20 CHED COc1ccccc1C[C@@H](NCCC(C)(C)C#N)C(C)C 541635892 ULCJJCROEHCOSQ-MRXNPFEDSA-N 288.435 3.792 30 20 CHED C=C[C@H](CC(=O)NCCC1(C)CC1)c1ccccc1 279497704 SSAPSRYZBUCCHZ-CQSZACIVSA-N 257.377 3.653 30 20 CHED CCCC[C@H](CC)CC(=O)N1CCC(CC#N)CC1 541048463 YEYRMYPAPKXULF-AWEZNQCLSA-N 264.413 3.745 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H](C)c2ccccn2)c1C#N 273286806 DYSOBERJOARTRU-LLVKDONJSA-N 286.766 3.508 30 20 CHED CC(C)CCOc1ccc(-c2ccc(C#CCO)nc2)cc1 623167952 QKEMVCCGUMIJEX-UHFFFAOYSA-N 295.382 3.517 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(-c2cccs2)on1 540621224 AGZAFWILQITOLC-LLVKDONJSA-N 290.388 3.878 30 20 CHED N#Cc1cccc(NC(=O)N2CCCC23CCCCC3)c1 372286364 APMXKEAURAMELD-UHFFFAOYSA-N 283.375 3.889 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)Cc1ccc(C)cc1C 468022661 PVRKDIOKABIJSZ-MAUKXSAKSA-N 273.420 3.953 30 20 CHED C=CCC1(NC(=O)c2cc(F)ccc2C)CCCC1 622959331 UUBZDHNSFURDTD-UHFFFAOYSA-N 261.340 3.753 30 20 CHED C=CC[C@H](CC)N[C@@H](C)CCc1ccc(OC)c(O)c1 467515502 ZWEJAQJDFFRKJA-ZFWWWQNUSA-N 277.408 3.666 30 20 CHED C=CCC[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccco1 285889400 ZXYSIWKXHFRQBZ-GJZGRUSLSA-N 288.391 3.772 30 20 CHED C=CCCC(C)(C)NC(=O)c1c(F)cc(C)cc1F 622981101 SCVGTGOBCPMPHZ-UHFFFAOYSA-N 267.319 3.748 30 20 CHED C=C(C)CN1CCC(n2c(C)nc3ccccc32)CC1 280277810 RWUSAFBVHCHVOZ-UHFFFAOYSA-N 269.392 3.558 30 20 CHED C=CCN(C(=O)c1cc(OC)nc2ccccc12)C(C)(C)C 622946332 MLSLRXOEXHKXMG-UHFFFAOYSA-N 298.386 3.670 30 20 CHED C=CCCCCCCNC(=O)c1c(C)noc1C(C)C 286986224 JSAVBMJGAOTVMU-UHFFFAOYSA-N 278.396 3.973 30 20 CHED N#Cc1ccc(CCC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 460476078 ABXPXJIYPQCBCG-KZNAEPCWSA-N 296.414 3.576 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 285046496 JPQQBKLIJDSVDL-NWDGAFQWSA-N 290.382 3.526 30 20 CHED C[C@H](NC(=O)N[C@H]1CCCCC1(C)C)c1ccc(C#N)cc1 466200219 ITJYBVYRQFMWLS-BBRMVZONSA-N 299.418 3.887 30 20 CHED COc1ccccc1[C@@]1(C)C[C@@H]1Nc1ccc(C#N)cc1 462891425 GIZJRZYSQIOICS-ZWKOTPCHSA-N 278.355 3.709 30 20 CHED Cc1nc(-c2ccc(NC[C@@H](C#N)CCC#N)cc2)cs1 554540983 KAGSEFOQXSLPSD-CYBMUJFWSA-N 296.399 3.974 30 20 CHED CC[C@@H](Nc1cccc(C#N)n1)c1ccc(OC)c(OC)c1 286393318 PBRXVGYMMXSONV-CQSZACIVSA-N 297.358 3.534 30 20 CHED CC(C)(C#N)CCCN1CC[C@]2(CCc3ccccc3O2)C1 377641776 AVLZOACWJZNPSJ-LJQANCHMSA-N 298.430 3.786 30 20 CHED Cc1cc(C)c([C@H](C)NCc2cccc(C#N)c2)c(O)c1 284167086 QFBXOZYAJRQKQW-AWEZNQCLSA-N 280.371 3.732 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 464647600 NRSNTOIHZUVJOS-LBPRGKRZSA-N 282.318 3.830 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1CC(C)C 466324337 FJUJJSMPEWDLPQ-KBPBESRZSA-N 252.402 3.561 30 20 CHED COc1ccc(C2CCN(c3ccc(C#N)cc3)CC2)cc1 467012757 FILCIKJDLLTIQI-UHFFFAOYSA-N 292.382 3.951 30 20 CHED N#Cc1ccc(CSCC2CC2)c(OC(F)F)c1 460855138 JJSMDSWKRNBJMV-UHFFFAOYSA-N 269.316 3.803 30 20 CHED C=CCC(C)(C)c1noc(C2=Cc3ccccc3OC2)n1 551140563 UPVHFYJEYHFJMT-UHFFFAOYSA-N 282.343 3.856 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](CC)CCC 477077001 MIRCDDGUCYKYEK-KBPBESRZSA-N 269.454 3.887 30 20 CHED CCCCCCC(=O)Nc1scc(C)c1C#N 809005423 KKNHXUGMMHHJTG-UHFFFAOYSA-N 250.367 3.837 30 20 CHED C=CCC[C@@H](CC)NCc1cc(F)cnc1Cl 295058301 GIDGYDUPWBUSDT-GFCCVEGCSA-N 256.752 3.709 30 20 CHED CCC[C@H](C(=O)NCC(C)(C)CCC#N)C(C)C 557983320 DTVZQFPIUZUOSF-ZDUSSCGKSA-N 252.402 3.505 30 20 CHED C#CCCCNC(=O)N[C@H](C)c1ccc(F)c2ccccc12 806876814 DGBWZXLQNNUWDV-CYBMUJFWSA-N 298.361 3.753 30 20 CHED C=CCNC(=S)N[C@@H](C)c1ccc(F)c2ccccc12 806610355 ZZDKXYFVWDDCEK-NSHDSACASA-N 288.391 3.690 30 20 CHED N#Cc1ccc(CON=Cc2ccc(Cl)cc2)c(F)c1 809832409 KQKZSSFENOTUSV-UHFFFAOYSA-N 288.709 3.901 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)c(OC)c(F)c1 292325264 ROLMAUDDOCKVIM-UHFFFAOYSA-N 269.291 3.514 30 20 CHED C=C(C)CN(CC)c1nnc([C@H](C)CC)n1C1CC1 567907821 ZZVKHRMSPZGTCB-GFCCVEGCSA-N 262.401 3.529 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1c(F)cccc1F 292163351 FTSKJIGBMNYLKE-JTQLQIEISA-N 267.319 3.744 30 20 CHED Cc1nc(N[C@@H]2CCCOc3ccccc32)ccc1C#N 291587999 HEEOJCNMCOUUQZ-OAHLLOKOSA-N 279.343 3.588 30 20 CHED CC(C)(CC#N)CSc1ncnc2sccc12 569592173 VCFKQEJVPUPPIO-UHFFFAOYSA-N 263.391 3.723 30 20 CHED C[C@H]1CSc2ccccc2N(Cc2ccc(C#N)o2)C1 569984237 LGDMNIKAKOQBMM-GFCCVEGCSA-N 284.384 3.900 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@]1(C)C(C)C 476420213 CHCOVBZACYQLIK-AEFFLSMTSA-N 271.404 3.883 30 20 CHED C=CCCCCNCc1cc(O)cc(C(F)(F)F)c1 569954166 NAFJHAHWADIMIF-UHFFFAOYSA-N 273.298 3.857 30 20 CHED C[C@@H](NCC(C)(C)c1ccccn1)c1cccc(C#N)c1 296643051 CGLYNUSVPGEVPP-CQSZACIVSA-N 279.387 3.582 30 20 CHED N#CCCCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 291981813 UTCCPCKKAGOBRZ-KRWDZBQOSA-N 295.386 3.915 30 20 CHED C=C(Cl)CN(C)[C@@H](CC)c1cccc(OC)c1 808761294 LGJODHJZBRVJKJ-AWEZNQCLSA-N 253.773 3.831 30 20 CHED C[C@@H](CCC#N)N[C@H](c1ccccc1)c1nccs1 298611558 MGFIRJKTMXQFNJ-GXTWGEPZSA-N 271.389 3.514 30 20 CHED C[C@H](c1cccc(F)c1)N1CCC(CCC#N)CC1 563067246 FWJMCYTZLGLHOK-CYBMUJFWSA-N 260.356 3.902 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OCc2ccccc2)cc1 479242329 KLKFEQAUCZFQFI-UHFFFAOYSA-N 295.382 3.914 30 20 CHED C=CCCN(C)C(=O)c1c(F)cc(C(F)(F)F)cc1F 290786035 RJWNSWUDDOQTLV-UHFFFAOYSA-N 293.235 3.632 30 20 CHED C=CCCC(CC)=NNc1nccnc1C1CCC1 807992803 RPXCCHFGNGVWII-UHFFFAOYSA-N 258.369 3.888 30 20 CHED C[C@H](CNC1CC(C#N)(c2ccccc2)C1)CC(F)(F)F 396961733 HVETVHYMAYCXEB-GRTSSRMGSA-N 296.336 3.788 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN2CCCC(C)(C)[C@@H]2C#N)o1 566953734 AMCXVCOBJOQJRI-XPKDYRNWSA-N 272.392 3.917 30 20 CHED N#Cc1c(F)cccc1SCC(=O)c1ccccc1 564198188 BMRZILBHWBENDS-UHFFFAOYSA-N 271.316 3.672 30 20 CHED C=CCN(CC=C)Cc1cncc(OCc2ccccc2)c1 486812900 OTQAWLUGAWISGC-UHFFFAOYSA-N 294.398 3.835 30 20 CHED Clc1ccn2c(C=NOC3CCC3)c(Cl)nc2c1 812235043 JEKRTQMJEXKFQG-UHFFFAOYSA-N 284.146 3.544 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@](C)(C#N)C2CCCCC2)C1 562778211 IXHSVWGVZFUPRW-CKEIUWERSA-N 276.424 3.791 30 20 CHED FC1(F)CC12CCN(CC#Cc1cccc(Cl)c1)CC2 649773973 NILRSSFCNMVEAZ-UHFFFAOYSA-N 295.760 3.813 30 20 CHED C[C@H]1Cc2cc(-c3ccc(CNCCC#N)cc3)ccc2O1 566111489 HDPZTSOJKBXPTP-AWEZNQCLSA-N 292.382 3.680 30 20 CHED COc1cc(NN=Cc2cncn2C(C)C)ccc1Cl 819809280 DSZYHTIIDPWPOS-UHFFFAOYSA-N 292.770 3.572 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(C(=O)CC)c1 488901913 OEAJBVHUJMEUKP-HNNXBMFYSA-N 286.375 3.852 30 20 CHED Cc1cc(C#N)cnc1C(=O)O[C@@H](C)C1CCCCCC1 816019008 WWUWUGPPFVCNOA-ZDUSSCGKSA-N 286.375 3.777 30 20 CHED C[C@H]1CCC(=NNc2ccc([N+](=O)[O-])cc2Cl)C1 814833053 VVQCQAHHFSCKMM-QMMMGPOBSA-N 267.716 3.836 30 20 CHED CC(=NNCCC(C)(C)C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814901232 FBPXXCNDGOOTFG-OLZOCXBDSA-N 282.428 3.525 30 20 CHED CCOC(=O)c1ccc(NN=C2CC3(CC3)C2)cc1C 814935857 YIEPATAVCMXEHC-UHFFFAOYSA-N 272.348 3.514 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)ccc1C 489857453 JEIUIGQPTPMOMM-UHFFFAOYSA-N 265.784 3.981 30 20 CHED C=CCCCC(=O)N(C[C@@H]1CCCO1)C1CCC(C)CC1 480901278 PWMBSIXFWYYLKK-JCYILVPMSA-N 293.451 3.929 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccn(C(C)C)c1C 815317437 FVIRBJWVPMORQT-UHFFFAOYSA-N 296.370 3.915 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)n1 480777186 FIXQZEYWCPHJKJ-DZGCQCFKSA-N 281.334 3.841 30 20 CHED CC(=NNc1nc2ccccc2cc1C)C1CCN(C)CC1 814895997 CDRMIOUYBMPKPX-UHFFFAOYSA-N 296.418 3.673 30 20 CHED N#Cc1ncccc1NCCCCCOC1CCCCC1 577113680 YRNRIAGMEANALW-UHFFFAOYSA-N 287.407 3.885 30 20 CHED Cc1c(C(=O)OCCCC(C)(C)C#N)ccn1C(C)C 815315604 MMWCGGPRJGFDSP-UHFFFAOYSA-N 276.380 3.864 30 20 CHED Cc1ccc(C2CC(=NNC[C@H]3CCSC3)C2)cc1 811659298 QOODXVSETWOGJD-AFYYWNPRSA-N 274.433 3.571 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccccc1C 812445333 UZDXLFNPBMUROI-UHFFFAOYSA-N 268.316 3.529 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cc(Cl)ccc1OC 810545496 GSJOEQXENUSIMP-UHFFFAOYSA-N 299.757 3.511 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)c1ccc(C)cc1 489908544 RIHDXUPWFCMXIA-UHFFFAOYSA-N 273.420 3.991 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1ccc(C2CC2)cc1 572055501 IDOZYIWDEBQLCT-CYBMUJFWSA-N 277.371 3.681 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ncc(C2CCCCC2)s1 578149656 ZNIUYKOOCFLASE-BMIGLBTASA-N 289.404 3.679 30 20 CHED CC[C@@H](NC[C@H](C)CN1CCCCC1)c1ccc(C#N)cc1 572708175 WRNODFJFJZSGDF-QFBILLFUSA-N 299.462 3.721 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 664556485 WCWSHBZUWXVEMA-UONOGXRCSA-N 296.455 3.624 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1ccc(C)cc1 726739958 YWMIHPZQKWOAIJ-UHFFFAOYSA-N 292.342 3.881 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)C#Cc2cccs2)c(C)c1 824683399 HRTBZTUDIZWBRK-OAHLLOKOSA-N 297.423 3.936 30 20 CHED C=C(C)COC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 824951127 RDFQDMCGTTZELG-UHFFFAOYSA-N 290.750 3.567 30 20 CHED C=C(C)CN(C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 824114187 QZUHHYVAFXFMLI-GJZGRUSLSA-N 296.455 3.530 30 20 CHED C=CCC1(NC(=O)Nc2ccccc2OC)CCCC1 664403624 PJZMGSFVTOMWLC-UHFFFAOYSA-N 274.364 3.706 30 20 CHED C[C@@H](NCC#Cc1ccc(F)cc1)c1ccsc1 669938734 WOUXSNFLBSLBAG-GFCCVEGCSA-N 259.349 3.590 30 20 CHED C/C=C/c1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc1 497412548 RFUXCPQZVBNZQQ-ITDFMYJTSA-N 283.375 3.876 30 20 CHED COC[C@H](SCC1(CC#N)CC1)c1ccccc1 901669508 UGFXGYXWRMQBDN-AWEZNQCLSA-N 261.390 3.801 30 20 CHED CC[C@H](N[C@H](C)C[C@H](O)c1ccco1)c1cccc(C#N)c1 902847195 DSTUYBMETDSLGP-COXVUDFISA-N 298.386 3.704 30 20 CHED Cc1cccc(C=NNCCCOc2ccccc2)c1C 731153308 FKKYPUUHKIGMFV-UHFFFAOYSA-N 282.387 3.696 30 20 CHED Cc1sc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(C#N)c1C 584825131 QVAHGXFOCVKBCD-INIZCTEOSA-N 299.399 3.649 30 20 CHED C[C@@H](C(=O)OCc1ccc(F)cc1C#N)c1ccsc1 738828386 NXGDRJOXJPRUQO-SNVBAGLBSA-N 289.331 3.606 30 20 CHED OCCCCCC/N=C\c1cc(Cl)cc(Cl)c1O 588384495 HCXCTAVRJXVLSF-SXGWCWSVSA-N 290.190 3.671 30 20 CHED Cc1cc(NC(=O)c2cc(C(C)(C)C)oc2C)ncc1C#N 906005170 LAWWTTKCBIDVEE-UHFFFAOYSA-N 297.358 3.713 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCCC2)c(C)c1 44385077 HCEXORWBFKJEPY-UHFFFAOYSA-N 256.349 3.716 30 20 CHED CCCn1c(C)nnc1SCCCCC1(C#N)CCC1 901528013 KVDGSFACCUBIPC-UHFFFAOYSA-N 292.452 3.953 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)c1ccsc1 739141811 CYTXRAYQUSRSRD-ZYHUDNBSSA-N 295.367 3.604 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cc2occc2s1 586818386 GVAZDVXKJGHRIE-UHFFFAOYSA-N 297.339 3.660 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)[C@H](C)C#N 839367070 OFWRAGMUKNPLPP-UJICNMFASA-N 297.185 3.767 30 20 CHED C=CCOC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 730881324 YQJNTXHXSZLWNK-HZPDHXFCSA-N 252.313 3.673 30 20 CHED CN(C(=O)CCCCCC#N)[C@H]1CCCc2ccccc21 588746555 MKZXVZMMHVNRDO-KRWDZBQOSA-N 284.403 3.996 30 20 CHED C(=NNc1cnnc2ccccc12)C1CCCCC1 733748242 MMSJDLHNPPWONF-UHFFFAOYSA-N 254.337 3.608 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CCCCCC1 580603288 BKFILCWLNYGDHQ-UHFFFAOYSA-N 296.418 3.820 30 20 CHED C=C(CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 673342113 NDYYEEDPKMAEGH-UHFFFAOYSA-N 276.339 3.611 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)COc2ccc(F)cc21 731565627 WLLGBYCTOBAITG-YRNVUSSQSA-N 272.250 3.624 30 20 CHED CCCCC(COC)=NNc1cc(C(F)(F)F)ccn1 834983771 GGFSRIKUFBBPML-UHFFFAOYSA-N 289.301 3.705 30 20 CHED CC(C)c1ccc(C=NOCc2cc(C(=O)O)co2)cc1 736513861 YLRWNKAZYQSBJA-UHFFFAOYSA-N 287.315 3.652 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cn1)c1cccc(O)c1 915918197 CRLDTBBCMIPSST-UHFFFAOYSA-N 295.264 3.642 30 20 CHED CSc1c(F)cccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839058722 LGHIXCXGZRUNHU-WDEREUQCSA-N 293.363 3.787 30 20 CHED CC(C)[C@H](C)SCc1cccc(C(=O)O)c1C#N 833468675 JLXCRYDWNKYXFT-JTQLQIEISA-N 263.362 3.534 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C)C(C)(C)C1 594339110 CTBBXFCYXSMOCO-HUUCEWRRSA-N 298.430 3.631 30 20 CHED N#Cc1ccc(CC(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 598151320 WIHANFHDGZTTTM-GOSISDBHSA-N 296.414 3.530 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C[C@H]1CC=CCC1 747062003 QPIFJUSMSLDOHQ-LBPRGKRZSA-N 259.309 3.657 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)c[nH]1)c1cccc2ccccc12 748224948 DVVAWJLJIPIVLP-GFCCVEGCSA-N 290.322 3.958 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccnc(-c3ccccc3)c2)C1 599088956 UXVFMFGANIUXCD-PBHICJAKSA-N 277.371 3.530 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCc2cc(F)ccc21 747441266 ZSTXYUYCHIUYCE-UKTHLTGXSA-N 297.285 3.946 30 20 CHED C[C@@H](NN=Cc1cccc(OC(F)F)c1)c1ccccc1 747049023 BTNUKQDFJVOLBP-GFCCVEGCSA-N 290.313 3.973 30 20 CHED C=C(CNC(=O)c1ccc(F)c(C)c1)c1ccccc1 672481084 KWOSEZZNKLTXJI-UHFFFAOYSA-N 269.319 3.577 30 20 CHED CCCCCCCCN1CCCN(C[C@@H]2CCCO2)CC1 740878536 LGHJTVZLEYCQOK-SFHVURJKSA-N 296.499 3.534 30 20 CHED Cc1ccncc1C(=O)Nc1scc(C(C)(C)C)c1C#N 590997596 ZJGQLFXEZBHXNX-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CCOc1cccc([C@H](C)/N=C\c2ccccc2O)c1 745012583 MTTAIXHLPFYPSA-CYUIRQCWSA-N 269.344 3.971 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc([N+](=O)[O-])cc2)c1 916345825 NYPAZBWDYZGVMP-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CCCC(Cc1ccccc1)=NN=C(C)c1cnccn1 745206413 CXNDWNHVFCFMCA-UHFFFAOYSA-N 280.375 3.684 30 20 CHED N#Cc1ccc(CCn2ncc(Cl)c2C2CC2)cc1 596310759 CZKGUQHKBZZWEE-UHFFFAOYSA-N 271.751 3.528 30 20 CHED N#Cc1ccc(CNCCC[C@H]2CC2(Cl)Cl)cc1 846102031 JZQFRPUSHLXILF-ZDUSSCGKSA-N 283.202 3.622 30 20 CHED CC[C@@H](Nc1ncc2c(c1C#N)CCC2)c1nc(C)cs1 591819450 DVLYXAXIIFXIMN-CQSZACIVSA-N 298.415 3.770 30 20 CHED CCCC(C)=NNc1ncnc2sc3c(c12)CCC3 916309096 DSPPVAAWXNBHHL-UHFFFAOYSA-N 274.393 3.768 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](CC)c1ccc(Cl)cc1 844285529 VQGFYIZFIXOOPC-ZWNOBZJWSA-N 282.771 3.596 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C(C)=C2CCC2)cc1 847042522 INEWAEBZMQVNEX-KRWDZBQOSA-N 282.387 3.772 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccccc1C(C)(C)C 844480946 CRVRKGASLAMRNH-NSHDSACASA-N 262.353 3.612 30 20 CHED CN(CC(C)(C)C#N)C(=S)Nc1ccc(F)c(Cl)c1 840749156 JGMORWJNIYHSBH-UHFFFAOYSA-N 299.802 3.657 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C/C2CCCC2)cc1 843593929 OPHLBXKGNGFOJZ-FMIVXFBMSA-N 285.387 3.614 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)OCC1(CC#N)CC1 924252787 OMDKOGKHLHRZAQ-NSHDSACASA-N 293.363 3.543 30 20 CHED CCCNN=Cc1cc(Cl)ccc1OC1CCCC1 743436638 AHWKRXMEVCTCOQ-UHFFFAOYSA-N 280.799 3.995 30 20 CHED C=CCOc1ccc(C(=O)NC2(C(F)F)CCCC2)cc1 685281261 IUCCWHDSXMOCAQ-UHFFFAOYSA-N 295.329 3.559 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)OCc1ccccc12 682361181 NKZOWHISCACNJN-SFHVURJKSA-N 299.414 3.637 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c(O)c1 757476987 WGOYZNRKUKIKRJ-UITAMQMPSA-N 283.283 3.505 30 20 CHED C=CC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccncc1 756583488 OFFSUBDHSHADKF-DYVFJYSZSA-N 298.386 3.764 30 20 CHED N#Cc1ccc(NN=C2CCc3c(Cl)cccc32)cc1 921258061 IFEIPXUAJBSWHU-UHFFFAOYSA-N 281.746 3.974 30 20 CHED CO[C@@H](C=NNc1ccc(Cl)c(Cl)c1)C1CC1 853287308 JBQBBEFLIPISRC-LBPRGKRZSA-N 273.163 3.816 30 20 CHED O=C(O)c1cc(NN=C[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1Cl 853258049 JAYDWAWMJCKWET-MXWKQRLJSA-N 292.766 3.872 30 20 CHED Cc1ccc2cc(C(=O)/C=C\c3c(C)n[nH]c3C)oc2c1 754825083 NCRMSJOLIZEPAH-SREVYHEPSA-N 280.327 3.977 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cc2ccccc2o1)OCC 756470086 JQHVPVQCFPFQMA-MRXNPFEDSA-N 288.343 3.847 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(-c2ccccc2)c(C)n1 685677564 VGDDGOGDLUIHBK-LBPRGKRZSA-N 281.359 3.753 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CC[C@@H]1C 920044748 VUWPAYYXVYWZHS-KBPBESRZSA-N 254.418 3.787 30 20 CHED C=CCN(C(=O)CCc1cncc2ccccc12)C(C)(C)C 857650660 BJBHQWBVAIBKFR-UHFFFAOYSA-N 296.414 3.981 30 20 CHED Fc1cc(F)cc(NN=Cc2cccc3cccnc23)c1 920375437 ZLDRNZZNNAUZAB-UHFFFAOYSA-N 283.281 3.959 30 20 CHED CCCCCCCCNC(=O)C(F)(F)c1nccs1 756528924 NJDPEVAPTVJOHZ-UHFFFAOYSA-N 290.379 3.712 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)c1ccsc1)c1ccccc1 757577360 GTTRJNMROGKEAE-CZUORRHYSA-N 283.396 3.732 30 20 CHED CCC1(CNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 751920485 QMSZMROSEUQTTM-UHFFFAOYSA-N 293.823 3.688 30 20 CHED C#CCCCOC(=O)C[C@H](CC)c1ccc(OC)cc1 752479544 RHMQVKRNCRXDDD-AWEZNQCLSA-N 274.360 3.536 30 20 CHED C/C(=C/C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccccc1 851211567 KTGSGAQRUHVWJY-ZVHGMHCTSA-N 271.360 3.961 30 20 CHED C=C(Br)CNC(=O)C[C@H]1CCCCC1(C)C 751730489 HZBNSKRQTKVNFA-LLVKDONJSA-N 288.229 3.618 30 20 CHED CC(CCCC(C)C)=NNc1ncc(Cl)cn1 857220904 PZSGCMWWBXYPEH-UHFFFAOYSA-N 254.765 3.744 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccccc1C#N)CO2 755588750 GVSCTPBZYYAAHX-SXGWCWSVSA-N 289.334 3.834 30 20 CHED COc1ccc2cc(C(C)=NNCC(F)(F)F)ccc2c1 769820718 CGBFXSBETCUWIX-UHFFFAOYSA-N 296.292 3.724 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(OCC)c(OCC)c1 765911565 QWPJYALXGGQFRJ-GFCCVEGCSA-N 283.799 3.887 30 20 CHED C=CCCCCNC(=S)Nc1ccc(F)cc1F 769760244 JRVQHEBJGSLHNQ-UHFFFAOYSA-N 270.348 3.608 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2c([nH]c3ccccc23)C1 935119974 OVAYTVZWNXUTLD-ZDUSSCGKSA-N 282.387 3.655 30 20 CHED CCCCCCCNC(=O)Nc1cccc(OCC#N)c1 860462483 XUVGMZTWXPUNAB-UHFFFAOYSA-N 289.379 3.681 30 20 CHED CC(=NN=C1C[C@H]2CCCc3cccc1c32)c1cnccn1 763356871 AUJSXABTIFYIJT-CQSZACIVSA-N 290.370 3.514 30 20 CHED Cc1cc(C=NNc2ccc3ccccc3n2)c(C)o1 767893409 PHZWAZDSOWIURR-UHFFFAOYSA-N 265.316 3.891 30 20 CHED COc1ccnc(C(C)=NNc2c(C)cc(C)cc2C)c1 863096296 CANMGLLKLRWNIE-UHFFFAOYSA-N 283.375 3.852 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@]2(CCc3ccccc3O2)C1 936029382 AUPSLSGGKGCYFV-DNVCBOLYSA-N 299.414 3.585 30 20 CHED C=CCOCSc1nnc(-c2ccc(C)cc2C)o1 865355803 UAGNQRDVQFSTBZ-UHFFFAOYSA-N 276.361 3.606 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(OCC)cc1O 768550320 LEOGRBTTZGKFQB-UHFFFAOYSA-N 297.398 3.979 30 20 CHED C/C=C/C=C\C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 769509550 KCGQMURXZYSKBA-MDAAKZFYSA-N 274.408 3.734 30 20 CHED C#CCOc1ccc(-c2nc([C@@H](C)CCC)no2)cc1 761849036 ZFGKVKGVWWEKIL-LBPRGKRZSA-N 270.332 3.652 30 20 CHED C#C[C@@H](NCc1cnc(C2CC2)o1)c1ccc(Cl)cc1 862370383 KMZPGVIWEFNSDS-OAHLLOKOSA-N 286.762 3.670 30 20 CHED CCCOc1ccc(NC(=O)c2ccc(C#N)o2)cc1C 863525443 CAECXRZOWQQZNU-UHFFFAOYSA-N 284.315 3.501 30 20 CHED C[C@@H](C#N)OCCNc1cccc(SC(F)(F)F)c1 863365946 UFKJQIFAWNJIHL-VIFPVBQESA-N 290.310 3.639 30 20 CHED C[C@@H](OC(=O)/C=C/c1ccc2[nH]ccc2c1)C(C)(C)C#N 765957625 FTQKUCIXTHAWSN-HOSRBBHYSA-N 282.343 3.663 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1oc2c(ccc3ccccc32)c1C 767259132 MKJIJOPFPZXPGT-GFCCVEGCSA-N 291.350 3.988 30 20 CHED COc1cc(F)ccc1NN=Cc1cnc(C(C)C)s1 761885729 YOAAHVIYHSMTDT-UHFFFAOYSA-N 293.367 3.860 30 20 CHED C[C@H](CC(=O)OCC1(C#N)CCC1)C1CCCCC1 768104362 CIDCRFPALQUPFP-CYBMUJFWSA-N 263.381 3.830 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1cnc(C)s1 761261740 PPJVIHBRTBDONH-UHFFFAOYSA-N 290.348 3.504 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cccs2)c(F)c1 772803863 VOSWLAGHZMSCAB-AATRIKPKSA-N 257.289 3.655 30 20 CHED C[C@@H](NCC1CCC(C#N)CC1)c1cc(O)ccc1F 872067460 AFRUOVCPZICFCO-PNESKVBLSA-N 276.355 3.512 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(C)c(OC)c1 773143160 NTHXQPWYRLJDDK-BQYQJAHWSA-N 281.355 3.857 30 20 CHED C#CCOc1ccc(-c2nc(-c3cc(C)oc3C)no2)cc1 771607978 FLCAVIOYBGAWGS-UHFFFAOYSA-N 294.310 3.625 30 20 CHED Cc1ccsc1C=NNc1cc(Cl)ccn1 777906389 ABMJMNJFANRXHG-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C#CCCCCCC(=O)Nc1nn(-c2ccccc2)cc1C 779920251 DGXWUHSJVYUCDM-UHFFFAOYSA-N 295.386 3.703 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(Cl)cn1 774312245 PYNHORMDSPCIID-UHFFFAOYSA-N 259.740 3.880 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1OCC(F)F 889525233 HVDXYLMVFJZKOP-UHFFFAOYSA-N 283.318 3.871 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H](C)CC1CCCC1 775952543 JPTXGKCUQDYNIC-AWEZNQCLSA-N 285.387 3.854 30 20 CHED CCSc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 883245260 IDNDDRCSVWPKDZ-KGLIPLIRSA-N 260.406 3.580 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H](CC)CC(F)(F)F 880285756 XFXBGKOFFJPSGF-SNVBAGLBSA-N 265.319 3.684 30 20 CHED Cc1nc(C#N)cc(S[C@H](C)c2cccs2)n1 882001949 WGYLBFOEFUXRSW-MRVPVSSYSA-N 261.375 3.572 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(F)c(Cl)cc1Cl 781147798 VQPGJCADPRFUEY-LURJTMIESA-N 276.094 3.591 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2cc(Cl)cs2)c1 782354453 MTOCWXMFXBXKDI-NSCUHMNNSA-N 296.731 3.677 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(C)CCCO1 782207214 UQQYTOMRFLMWQP-ZDUSSCGKSA-N 297.742 3.605 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 700567081 FWOLKEPUQLEZBE-YPMHNXCESA-N 295.835 3.739 30 20 CHED Cc1ccc(F)c(N)c1C(=O)O[C@@H](C)c1cccc(C#N)c1 783117304 SBPUHIGSFFFIGP-NSHDSACASA-N 298.317 3.506 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccc(C#N)cc1 1125599342 LBOKFRYGWAKOAY-ZTFGCOKTSA-N 298.430 3.996 30 20 CHED CCCCO[C@H]1CC(=NN[C@@H]2CCOC(C)(C)C2)C1(C)C 780241380 PCQGDCIUSSQRCZ-HIFRSBDPSA-N 296.455 3.505 30 20 CHED CCC(CC)NN=C(C)c1ccc(C#N)cc1Cl 788428062 KKSXQOCDVYNHEP-UHFFFAOYSA-N 263.772 3.714 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1nc2ccccc2nc1C 785761804 NIEYALJYUZYJSM-QGZVFWFLSA-N 284.359 3.584 30 20 CHED COc1cc(C)c(C(C)=NOCC(F)(F)F)cc1C 783857026 QZPDRQAHADGTGM-UHFFFAOYSA-N 275.270 3.615 30 20 CHED COc1ccc2c(c1)CCCN2Cc1ccc(CC#N)cc1 784125697 LUVMJHMQIPLWNY-UHFFFAOYSA-N 292.382 3.714 30 20 CHED C#CCCCCCC(=O)OCc1csc(C2CC2)n1 784619458 QJUDROSYEJQXCQ-UHFFFAOYSA-N 277.389 3.647 30 20 CHED N#CCc1ccccc1CC(=O)Nc1ccc2occc2c1 1132490166 OFTKLZHNXRFJHE-UHFFFAOYSA-N 290.322 3.680 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccc(C#N)cn1 783295127 ZZJORKDMEXQGDB-CXAGYDPISA-N 277.371 3.600 30 20 CHED CC(C)[C@@H]1CCCCC1=NN[C@@H]1CCOC(C)(C)C1 780251006 RCWUBJILYALRLB-KGLIPLIRSA-N 266.429 3.736 30 20 CHED C=C1CC(c2noc(-c3ccc(C(=O)CC)cc3)n2)C1 896884025 NRTSOLHJUBFXNE-UHFFFAOYSA-N 268.316 3.763 30 20 CHED C[C@H]1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1 781615384 RHQWTANYBXQSPV-WPRPVWTQSA-N 297.185 3.783 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(C)c(F)c1 797083393 NZUCBCSKESMOAB-UHFFFAOYSA-N 250.313 3.780 30 20 CHED Cc1ccsc1/C=C1\CCc2ccc(O)cc2C1=O 794960964 ZWSSVAXRJXAABU-XYOKQWHBSA-N 270.353 3.975 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)c1cccc(CC(C)C)c1 796564175 ROIMINKZPLZKOL-CYBMUJFWSA-N 279.811 3.857 30 20 CHED CS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C1 687961786 OKGQZZOXFNDBJX-ZIAGYGMSSA-N 294.851 3.928 30 20 CHED Cc1cc(C(=O)/C=C/c2cccnc2Cl)oc1C 799896169 GYFJGVRCNZYJAF-AATRIKPKSA-N 261.708 3.841 30 20 CHED COc1cc(NCc2ccc(C#N)cc2F)ccc1Cl 193313773 CSCXDLNJIWFQSK-UHFFFAOYSA-N 290.725 3.971 30 20 CHED COC1(C=NNc2ccc(F)cc2F)CCCCC1 790136910 YMFJREQTUKDGGM-UHFFFAOYSA-N 268.307 3.712 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(Cl)cc1SCC 791740231 ABDYQDRTTHXBET-GFCCVEGCSA-N 295.835 3.984 30 20 CHED CC[C@H](C)NN=Cc1cn(C)nc1-c1cc2ccccc2o1 790182102 ISHFOMMKTDLOBY-LBPRGKRZSA-N 296.374 3.555 30 20 CHED C(=NOCc1cnc2ccccc2c1)c1cccs1 799173797 DWBWMWFSOCKUGB-UHFFFAOYSA-N 268.341 3.847 30 20 CHED C[C@@H](CCc1ccccc1)OC(=O)c1ccc(F)c(C#N)c1 792317971 LDOWGKRZGTVYQO-ZDUSSCGKSA-N 297.329 3.875 30 20 CHED CC1(C)CCC[C@@H]1NN=C1CCC[C@H]1c1ccccn1 794935611 JAONVCTZIGSOSS-BBRMVZONSA-N 271.408 3.873 30 20 CHED CC(F)(F)CCNc1nc(C(C)(C)C)ccc1C#N 590705716 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QRTPBAXCCPVFOX-AWEZNQCLSA-N 275.392 3.661 30 20 CHED C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)C1 301763501 FGWHHQSZOMWPNF-GHMZBOCLSA-N 297.324 3.844 30 20 CHED C[C@H](NC/C=C/c1ccccc1)c1cccc(C#N)c1 174431650 YWNCCHLHWULXPH-WGPYJDKQSA-N 262.356 3.922 30 20 CHED C[C@@H]1C[C@@H]1[C@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 301963702 JDDXXGIVMUHYMW-FUEDEBDSSA-N 298.777 3.811 30 20 CHED CCc1nnc(NCCC2CCCCC2)c(C#N)c1CC 124913062 MEEZYXLDEJUWMN-UHFFFAOYSA-N 286.423 3.855 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccccc1C(C)(C)C 302810904 MZRNEHCKIUALDW-UHFFFAOYSA-N 288.435 3.821 30 20 CHED CC(C)=CCSc1ccccc1C(=O)N[C@H](C)CC#N 172836730 PUXWWOUVONULRW-CYBMUJFWSA-N 288.416 3.777 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1cccc(C#N)c1C 178626097 XEJNANRUBWYBQN-LBPRGKRZSA-N 276.405 3.727 30 20 CHED CCn1ncc2ccc(NCc3ccc(C#N)cc3)cc21 123414118 NRXPLGBCRQBBOP-UHFFFAOYSA-N 276.343 3.540 30 20 CHED Cc1cccc(C)c1OCCNc1c(C#N)cccc1C#N 302822103 DVRLGXPIBOFDPM-UHFFFAOYSA-N 291.354 3.538 30 20 CHED C=C(Cl)CN(CCC)CCc1cccc(F)c1 303669948 WVDAJYCSANJVSJ-UHFFFAOYSA-N 255.764 3.833 30 20 CHED C=CCNc1nc2cc(C(F)(F)F)ccc2s1 301370181 SFRPPPWAXYETAV-UHFFFAOYSA-N 258.268 3.913 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccccc1F 124555169 QMKSAIYHNNXDTN-GFCCVEGCSA-N 279.380 3.507 30 20 CHED Cc1cc(C)nc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 122340470 XNNJDMTVUDJBEC-AWEZNQCLSA-N 281.359 3.601 30 20 CHED C=CC[C@@H](C)NCc1cc(OC)ccc1Br 128156247 WDEXYWRXGALCGW-SNVBAGLBSA-N 284.197 3.512 30 20 CHED Cc1cc(Cl)cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 434016462 MWZKZISEGAOSDO-CQSZACIVSA-N 290.794 3.803 30 20 CHED C[C@H](CSC(C)(C)C)NCc1cccc(C#N)c1 151381070 PHNIFAVQLOAJAI-GFCCVEGCSA-N 262.422 3.568 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)NCCCCC#N)CC1 184445569 KDJZMQIIAHIFOD-LSDHHAIUSA-N 279.428 3.584 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(C)[C@@H](C#N)CCC 410833359 GNKIDGAXFQLIQA-ZIAGYGMSSA-N 252.402 3.599 30 20 CHED C=CC[C@H](C(=O)NC[C@H](CC(C)C)OC)c1ccccc1 416071448 ZPIPVVFQFKAQFH-IRXDYDNUSA-N 289.419 3.524 30 20 CHED C[C@H]1CCSCCN1CCC1(C#N)CCCCC1 411626179 MJRBYNVWJPQSPY-AWEZNQCLSA-N 266.454 3.678 30 20 CHED N#CC1(CSCCOCC2CCCC2)CCC1 419575565 FAGNGFXXYKOTIS-UHFFFAOYSA-N 253.411 3.620 30 20 CHED CCSc1cccc(CN(CC)C[C@H](C)C#N)c1 186190940 YQNCMKUEUUIICW-CYBMUJFWSA-N 262.422 3.780 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc(CC#N)c2)s1 79263932 HGDSHZDTMWDXKJ-UHFFFAOYSA-N 295.367 3.501 30 20 CHED N#Cc1nnc2ccccc2c1Sc1ccc(F)cc1 77165269 XUBGZNITHOXIPY-UHFFFAOYSA-N 281.315 3.792 30 20 CHED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(F)c1F 185869730 UVRWYOKYAXENCF-SRVKXCTJSA-N 264.319 3.698 30 20 CHED C=CCCCN[C@H](C)c1cccc(N2CCCC2)c1 181876051 JUWGXTUBHZUDJD-OAHLLOKOSA-N 258.409 3.904 30 20 CHED C=C[C@H]1CCCCN1Cc1ccn(C2CCCC2)n1 489515480 RQJCZGBIVNJJPI-HNNXBMFYSA-N 259.397 3.539 30 20 CHED C=CCC[C@H](C(=O)NCc1cccc(O)c1)c1ccccc1 189520248 VIDDCPAYJMFKGH-SFHVURJKSA-N 295.382 3.758 30 20 CHED CC(C)c1csc(CN[C@H](C)c2cccc(C#N)c2)n1 181910696 HNAKCNCIHBJXPU-GFCCVEGCSA-N 285.416 3.989 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)c1cccc(C)c1 188445936 XLJKIYDNPBTADR-PBHICJAKSA-N 259.393 3.817 30 20 CHED CN(CCCOc1ccc(F)cc1)Cc1ccccc1C#N 509547997 CYRBKEKFFOPEOM-UHFFFAOYSA-N 298.361 3.598 30 20 CHED N#Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)cc1 76511370 RQLCYVGWOFOVKY-INIZCTEOSA-N 294.354 3.909 30 20 CHED C[C@H](C#N)OCCNc1ccc2c(c1)Cc1ccccc1-2 314249627 SILHMSALLUEPMT-CYBMUJFWSA-N 278.355 3.598 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1CSC 184819966 NSPKHSQSSZOMQJ-UHFFFAOYSA-N 276.405 3.756 30 20 CHED C=CCCNc1ccc(C(=O)N2CCCCC2)c(Cl)c1 77245964 YPGQAZFIHRHEAK-UHFFFAOYSA-N 292.810 3.954 30 20 CHED C=CCn1c(SCCC)nnc1-c1ccoc1C 72098954 BQAFTKLVMGDTAV-UHFFFAOYSA-N 263.366 3.535 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)CC#N)c(C)c1 414172625 WFNYSHWYKRHLKR-ZDUSSCGKSA-N 260.381 3.594 30 20 CHED C=CCc1cc(CN(CC(C)C)C(C)C)cc(OC)c1O 509401004 RTUWSELEEKBPSY-UHFFFAOYSA-N 291.435 3.996 30 20 CHED C=CCSCCNC(=O)C[C@H](CC)c1ccc(C)cc1 508853048 PMLYMDMMYQLFSV-HNNXBMFYSA-N 291.460 3.914 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CSc3ccccc32)ccc1F 83774523 FRMBFDWUBKDVMI-CYBMUJFWSA-N 298.342 3.525 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)CC(C)(C)CC2=O 416387976 KLOBVIWBDZCZGY-UHFFFAOYSA-N 264.328 3.570 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@H](NCC2(C#N)CCC2)C1 418144852 VFJUIBPZTBLKHX-CVEARBPZSA-N 283.419 3.700 30 20 CHED Cc1cc(C)c(N=C(O)[C@H]2CCC(=O)[C@@H](C)C2)c(C)n1 328922009 UEZAISKCRVCAPY-ZANVPECISA-N 274.364 3.600 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCC1(F)F 424854725 RZJWMTUCXQCOJF-NSHDSACASA-N 259.340 3.530 30 20 CHED CCCc1csc(CNc2cc(C#N)ccc2C)n1 426367418 UCQLDOSHLCFALE-UHFFFAOYSA-N 271.389 3.888 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccccc1OC(F)F 424567819 RAXOITNWADHISA-UHFFFAOYSA-N 283.318 3.507 30 20 CHED COc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1Cl 193075415 LJDDOTNBHQAFLH-QWRGUYRKSA-N 264.756 3.843 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2CCCc3ccccc32)C1 328727375 DEAFYGXLENNYPT-GLQYFDAESA-N 286.375 3.776 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)c1ccccc1 424651051 YRVHUVJMYFZDNN-AWEZNQCLSA-N 259.393 3.851 30 20 CHED Cc1ccc(C[C@@H](C)NCc2ccc(C#N)s2)s1 135692888 VGPOLCJMEJCBNG-SNVBAGLBSA-N 276.430 3.711 30 20 CHED Cc1csc(NC(=O)[C@@H]2CCCC[C@H]2C)c1C#N 425608615 GKUNHOSFUJZJNI-MWLCHTKSSA-N 262.378 3.693 30 20 CHED C[C@H](C[C@@H](O)c1ccc(F)cc1)NCC(C)(C)CCC#N 130873354 DILDRRSFNHVWOO-CZUORRHYSA-N 292.398 3.557 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1ccc2ncccc2c1 192550205 PZTHQITXFUXECA-JXMROGBWSA-N 299.333 3.758 30 20 CHED C=CC1CCN(Cc2cc(C(=O)OC)ccc2Cl)CC1 511112456 USZCVORFOUWCSF-UHFFFAOYSA-N 293.794 3.525 30 20 CHED C=CCCC(=O)COc1cc(Cl)ccc1Cl 134638585 LXILWYUDINBAFF-UHFFFAOYSA-N 259.132 3.908 30 20 CHED Cc1ccc(NCc2ccc(C#N)c(F)c2)c(CN(C)C)c1 421330849 CPABWFCFMISFLT-UHFFFAOYSA-N 297.377 3.680 30 20 CHED CCCC[C@H](CC)C(=O)NCc1cc(C#N)ccc1F 80787580 VSSIBXOIGZMCMP-ZDUSSCGKSA-N 276.355 3.530 30 20 CHED CO[C@@H]1CC[C@@H](Nc2nc3c(cc2C#N)CCCC3(C)C)C1 428226346 GXPLLUWXJLUTEL-HUUCEWRRSA-N 299.418 3.547 30 20 CHED OC(CCC1CCCCC1)=Nc1nc2cccnc2[nH]1 330055209 TZXKUIVXTVBFPB-UHFFFAOYSA-N 272.352 3.906 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2ccc(F)c(C#N)c2)CC1(C)C 332491887 XGTOVIHTBCRWDR-CQSZACIVSA-N 289.354 3.596 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc[nH]c2CC)c1 511474627 BFDAXNWRSRKFBU-UHFFFAOYSA-N 284.359 3.784 30 20 CHED COCC1(C(O)=Nc2ccc3occ(C)c3c2)CC1 330050482 LUMVVTZCTNFYPL-UHFFFAOYSA-N 259.305 3.756 30 20 CHED CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)c1cccc(O)c1 192058813 GAFAKLZWORARMG-CYBMUJFWSA-N 298.361 3.986 30 20 CHED C=CCc1cc(CN2CCC[C@@H](C)[C@@H]2C)cc(OC)c1O 512652018 GWRJQXDQLVYRLS-KGLIPLIRSA-N 289.419 3.750 30 20 CHED C=CCOc1ccc(CN[C@H](C)C(F)(F)F)cc1Cl 424195346 ZFMUOYCOBBRHDA-SECBINFHSA-N 293.716 3.945 30 20 CHED COc1c(C)cc(CN2CCC(CCC#N)CC2)cc1C 514863912 LWOSQZCOBYVAIT-UHFFFAOYSA-N 286.419 3.828 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](C)C1CCCCC1 511437252 JEBCXPMPCKACRL-QWHCGFSZSA-N 252.402 3.561 30 20 CHED CC(=O)c1cc(/C(O)=N/[C@@H]2CCCC[C@H]2C)c(C)nc1C 331122955 MUQCGIKZYBWLPA-QLJPJBMISA-N 288.391 3.784 30 20 CHED C=C[C@H]1CCCCN1Cc1cccc(OCCCC#N)c1 426551833 HUMSYMNEWUKBCT-KRWDZBQOSA-N 284.403 3.910 30 20 CHED Cc1cc(Cl)c(NC(=O)C2(C#N)CC(C)C2)cc1C 516848946 APWFWSUAKKVCAB-UHFFFAOYSA-N 276.767 3.835 30 20 CHED C[C@@H]1CCC[C@@H](CCN2CCC(F)(C#N)CC2)C1 510952445 ZLMUIMKYUDLTIZ-KGLIPLIRSA-N 252.377 3.530 30 20 CHED C=C(C)CNCc1ccc(OC)c(OCc2ccccc2)c1 512350088 GYBILVYWDNKTNL-UHFFFAOYSA-N 297.398 3.940 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2cc(C#N)oc2C)c1 336365871 LKOBLTSKCAJJEC-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CCc1nnc(C)cc1/C(O)=N/CC(C)(C)CC(C)C 330800953 CXMWLGWYWDLFNR-UHFFFAOYSA-N 277.412 3.724 30 20 CHED Cc1[nH]c2ccc(/C(O)=N/[C@@H](C)CC(C)(C)O)cc2c1C 331342653 YUMOTDKGZWKXAM-JTQLQIEISA-N 288.391 3.639 30 20 CHED C=CCCC(=O)N1CC2(CCCC2)c2c(F)cccc21 338650388 KWFXHBHZSRVZFL-UHFFFAOYSA-N 273.351 3.950 30 20 CHED CC[C@H](O)CN(Cc1ccccc1)CC(C)(C)CCC#N 93688273 CDDVDZLAAXGJSK-KRWDZBQOSA-N 288.435 3.589 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N[C@@H](C#N)CCC 91967055 VYYIKKYLUPEMFW-LSDHHAIUSA-N 264.413 3.791 30 20 CHED C=CCCOCCN[C@H]1CCCOc2c(Cl)cccc21 90883729 ZWRGMRPFQDQKMC-HNNXBMFYSA-N 295.810 3.736 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)C[C@@H]1CCCCO1 330324536 IOSBOANAMLKNFL-AWEZNQCLSA-N 299.374 3.932 30 20 CHED C=C1CCN(C(=O)C2(c3ccccc3C)CCC2)CC1 336903237 RWDSACFWBWMIRX-UHFFFAOYSA-N 269.388 3.595 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc(C(F)F)cc1 344380331 DUGUVUPJCOGXRK-UHFFFAOYSA-N 286.281 3.943 30 20 CHED CC1(C)CCC[C@H](C(=O)N[C@H](C#N)C2CCCCC2)C1 535782765 WQLKBXZTZXFIPH-LSDHHAIUSA-N 276.424 3.791 30 20 CHED C=CCC(C)(C)CNC(=O)NCCc1ccc2[nH]ccc2c1 432557058 LMCNGYDZNMIHJL-UHFFFAOYSA-N 299.418 3.612 30 20 CHED CC(C)CNC(=O)c1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 437129299 ZATHJIVERODTQT-WMLDXEAASA-N 299.418 3.567 30 20 CHED C=CCN(CCC#N)Cc1csc(C(F)(F)F)c1 600161862 NOLSQFKMVNMLMM-UHFFFAOYSA-N 274.311 3.669 30 20 CHED Cc1cc(OCc2cc(-c3ccco3)on2)ccc1C#N 434644845 HVEFMUQHVYKTGA-UHFFFAOYSA-N 280.283 3.694 30 20 CHED N#Cc1cc(F)ccc1-c1cccc(CNCC2CC2)c1 600787868 GQKSQWWCZXOVMM-UHFFFAOYSA-N 280.346 3.864 30 20 CHED Cc1cc(C)c(/C=C/CNCC2(C#N)CC2)cc1C 602641777 CZRKWYXEMBJXLM-SNAWJCMRSA-N 254.377 3.518 30 20 CHED CC[C@@H]1C(=O)N(c2ccc(C#N)c(Cl)c2)N=C1C(C)C 601948899 NHVHOVMYDQOZFH-LBPRGKRZSA-N 289.766 3.596 30 20 CHED CCCc1nc(C)c(NC(=O)C(C#N)(CC)CC)s1 529070501 QCWOKSYSMYSXNG-UHFFFAOYSA-N 279.409 3.673 30 20 CHED CC(C)Cc1ccc(CC(=O)N(CCC#N)CC2CC2)cc1 349436137 ZUZQEQJCGMNAON-UHFFFAOYSA-N 298.430 3.580 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 344341313 YGDIYFQFLWOKIX-NEPJUHHUSA-N 296.292 3.670 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 342364401 SLMJQOURAQHYJA-PDWCTOEPSA-N 273.376 3.587 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)cn1 342122626 GQDKEWIIESYXIH-CYBMUJFWSA-N 270.298 3.641 30 20 CHED CC(C)(C)CN(CCC#N)CCCOc1ccc(F)cc1 609487614 SJUMSIYNDLNNFO-UHFFFAOYSA-N 292.398 3.856 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)Cc2ccc(F)cc21 255836706 LGGUYXNDDIXTFG-SDQBBNPISA-N 283.258 3.556 30 20 CHED Cc1cc(C)c(C(=O)NC2(c3cccc(C#N)c3)CC2)s1 601357904 HUGCRWOYMODHTD-UHFFFAOYSA-N 296.395 3.656 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cc(F)c(F)cc1F 349374310 RCMRFMLDUUQDOO-UHFFFAOYSA-N 299.296 3.555 30 20 CHED C=C[C@H](CC(=O)N(C)c1ccc(C)cn1)c1ccccc1 346159817 DFMBJEQZTCGUAO-OAHLLOKOSA-N 280.371 3.713 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(SC(C)C)cc1 608823726 GXQIKFKZSVQJKX-CQSZACIVSA-N 290.432 3.855 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccccc2C#N)cc1 255066650 RYSSJQVWKDZJAB-XFXZXTDPSA-N 277.323 3.853 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2cc(Cl)cc(Cl)c2)C1 442768984 PNAOFXCQNVSYRY-BXUZGUMPSA-N 283.202 3.818 30 20 CHED Cc1cc(CN(C)CC#Cc2ccccc2)ccc1F 444737892 CBINBTRFZPWKIS-UHFFFAOYSA-N 267.347 3.618 30 20 CHED C=C(CC)CNc1cc(C[S@@](C)=O)ccc1Cl 358657952 BBCGQEYULQWMIQ-QGZVFWFLSA-N 271.813 3.597 30 20 CHED CC[C@@H](F)CSc1nc(C(F)(F)F)ccc1C#N 440590213 JUQHWIIYJNHTNG-MRVPVSSYSA-N 278.274 3.812 30 20 CHED Cc1cc(C(=O)NCC(C)(C)CCC#N)c(C)n1C(C)C 359769316 ZZIDTQOVLBNJGK-UHFFFAOYSA-N 289.423 3.746 30 20 CHED C[C@H](CCC#N)N(C)CCCOc1cccc(Cl)c1 351618809 KFTKSGZDQPEUKG-CYBMUJFWSA-N 280.799 3.733 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cccc(C2CCC2)c1 353261569 KUNPSOFKFHJCEL-UHFFFAOYSA-N 270.376 3.576 30 20 CHED CCC1(c2noc(-c3cc(C#N)cs3)n2)CCCC1 445781162 BFVAQDIXJSUQJV-UHFFFAOYSA-N 273.361 3.892 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)C(=O)Nc1ccccc1 449150541 ZUIDFZLFKNBIHM-LSDHHAIUSA-N 274.408 3.738 30 20 CHED CCN(Cc1ccc(O)cc1)[C@@H](C)c1ccc(C#N)cc1 611208164 MLRJYJRNDHPBBK-AWEZNQCLSA-N 280.371 3.847 30 20 CHED C[C@@H](C(=O)NCc1cccc(C#N)c1)c1cccc(Cl)c1 610222952 XHVJDYSFCJXTNL-GFCCVEGCSA-N 298.773 3.632 30 20 CHED N#Cc1cccnc1N1CCCC[C@H]1Cc1ccc(F)cc1 531153851 NJAQAVNUPJABHF-KRWDZBQOSA-N 295.361 3.694 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2cccc(CC)c21 532328412 MRYOSZYYAKTKGN-UHFFFAOYSA-N 269.388 3.907 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](c1ccncc1)C(C)C 352535837 WAAYXNXYBZTBBO-HNNXBMFYSA-N 274.408 3.540 30 20 CHED C=CCCCNc1cc(N2CCCC2=O)ccc1Cl 354341981 XPEVQZXKZYCFEQ-UHFFFAOYSA-N 278.783 3.845 30 20 CHED C=CCCNC(=O)c1ccc(OCCC)c(OCCC)c1 617612567 CLTMNNCLJRTRGH-UHFFFAOYSA-N 291.391 3.570 30 20 CHED Cn1cncc1CSc1ccc(C#N)c(C(F)(F)F)c1 359746561 MNANYQDVVKMLMW-UHFFFAOYSA-N 297.305 3.603 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H]2CCCN2c2ccccc21 531561493 GOKKAIIRKSOGRM-INIZCTEOSA-N 296.414 3.770 30 20 CHED C=CC[C@@H]1N(C(=O)c2c[nH]c3ncccc23)CCCC1(C)C 444631557 AEKIFHVFKNGAMT-HNNXBMFYSA-N 297.402 3.770 30 20 CHED COc1cc(SC)ccc1N[C@H](C#N)Cc1ccccc1 618447860 SRRBFEZNCQWSJN-AWEZNQCLSA-N 298.411 3.964 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](CC)Cc1ccc(F)cc1 617167478 HHNSFYLTVBEJIA-OAHLLOKOSA-N 277.383 3.865 30 20 CHED N#Cc1cccc(OCC#Cc2cccc(Cl)c2)c1 610946197 LMINKLNAUXMHGL-UHFFFAOYSA-N 267.715 3.642 30 20 CHED CC(C)c1ccc(CN2CCOC[C@@H]2C#N)c(C(C)C)c1 610682106 MJXPNIYSVXJWBQ-KRWDZBQOSA-N 286.419 3.658 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1ccc(CC#N)cc1 533885882 UQUOOUXTWLECAH-CQSZACIVSA-N 272.392 3.697 30 20 CHED C=CCCSCc1cccc(C(=O)NCC(C)C)c1 610092622 QFRZBLJLXXFSFZ-UHFFFAOYSA-N 277.433 3.882 30 20 CHED C=C(C)COCCNCc1cc2cc(C)c(C)cc2o1 531883952 VTFWLCQKILTXJM-UHFFFAOYSA-N 273.376 3.732 30 20 CHED C=CCCOCC(=O)N1CCC[C@@H]1c1c(C)cccc1C 617176929 IXIYLPGWYLEILO-MRXNPFEDSA-N 287.403 3.560 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1c(C)cc(C)cc1Cl 613855067 WPIVYAIKDXGMNB-NSHDSACASA-N 279.771 3.771 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(N3CCCC3)c2)C1 617778947 RNUABWITILLUPJ-INIZCTEOSA-N 298.430 3.715 30 20 CHED C=CCCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 267062377 HBIXNRCYLZNNJL-MRXNPFEDSA-N 285.391 3.733 30 20 CHED CO[C@H](C1CC1)[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 453364407 LOWNQBHPWXBVTC-VMDGZTHMSA-N 298.430 3.729 30 20 CHED N#Cc1ccc(SCc2noc3c2CCCC3)c(F)c1 610218854 CSTPQOOXWXQROD-UHFFFAOYSA-N 288.347 3.856 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc(SCC)cc1 453347658 INNMHQIQFXHMJM-DZGCQCFKSA-N 279.449 3.776 30 20 CHED C=C(C)CCNC(=O)c1c[nH]cc1-c1ccc(C)s1 452718564 QDKIQOWPIAZHIU-UHFFFAOYSA-N 274.389 3.748 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1CCCCC#N 610788105 UVQJONYVAALBIH-QGZVFWFLSA-N 256.393 3.936 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 457079562 MAKWQIVXCJIBMP-KSSFIOAISA-N 288.435 3.745 30 20 CHED C[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 278906572 ZTTSEUFKLOPZBY-WWGRRREGSA-N 260.356 3.601 30 20 CHED C=CCC[C@H](N[C@H]1CCO[C@@H](c2ccncc2)C1)C1CC1 453341746 IFGAONZNSRLYRM-OKZBNKHCSA-N 286.419 3.636 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1ccc(CC#N)cc1 270284577 SYIACDFBOSGKCI-UHFFFAOYSA-N 292.382 3.723 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@@H](OC)c1ccccc1F 541778620 TUAINLGVCILHQO-WOSRLPQWSA-N 265.372 3.846 30 20 CHED CC(C)(C)OC(=O)CCS[C@H](C#N)Cc1ccccc1 619648809 MJMFZJSSVZWSLE-AWEZNQCLSA-N 291.416 3.586 30 20 CHED C=CCCN(C)C(=O)c1ccc(SC(F)(F)F)cc1 276400214 OCWXHYDJQKWWQK-UHFFFAOYSA-N 289.322 3.947 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[C@H]1CCO 275030746 OHGSSXJTKALZJE-GWCFXTLKSA-N 298.308 3.540 30 20 CHED C=C(C)CCNC(=O)c1oc2ccccc2c1CC 452741694 PSNUPLNZKBEFFG-UHFFFAOYSA-N 257.333 3.691 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC(F)F)c(F)c1 454485326 BCVZWXQLZCRPJI-UHFFFAOYSA-N 288.269 3.515 30 20 CHED CC(C)c1ccc(Cc2noc(C3(C#N)CCC3)n2)cc1 273737496 PWLPTYODSQDAPT-UHFFFAOYSA-N 281.359 3.729 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1cc2ccccc2o1 276154298 QLKRZMUWMJRTDJ-GFCCVEGCSA-N 272.348 3.711 30 20 CHED CC(C)c1ccc(-c2noc([C@@]3(C#N)C[C@@H]3C)n2)cc1 453089879 OVMINGARIDGVOH-MEDUHNTESA-N 267.332 3.661 30 20 CHED CC#CCCSc1ncnc2sc(C)c(C)c12 462384553 QPTUKXLBXSYVBH-UHFFFAOYSA-N 262.403 3.814 30 20 CHED CCN(Cc1cccs1)C(=O)[C@H](C)c1cccc(C#N)c1 461751818 CUHQZMYNPAKYDG-CYBMUJFWSA-N 298.411 3.772 30 20 CHED CC(C)(C#N)c1nc(C(C)(C)c2ccc(Cl)cc2)no1 289118253 LZZXCOZIIVHTQC-UHFFFAOYSA-N 289.766 3.850 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCc1ccc(Cl)cc1 467923636 YDJBUGRYHIRBGF-INIZCTEOSA-N 279.811 3.943 30 20 CHED C=C(C)CCc1noc(-c2csc([C@@H]3CCCO3)n2)n1 284956037 ACBVOVZDGXQCSS-NSHDSACASA-N 291.376 3.553 30 20 CHED CC(C)(C#N)CCCN1CCC=C(c2ccco2)C1 285269940 IMHUFCQPSLLBGU-UHFFFAOYSA-N 258.365 3.699 30 20 CHED CCc1ccc(CCNc2snc(C)c2C#N)cc1 553437063 NZSXDCFTKGVSOS-UHFFFAOYSA-N 271.389 3.540 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cccc(C)c1 280652030 OFPGYZDWHHABAO-OIISXLGYSA-N 259.393 3.627 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 467999231 YKPIFYNHLJBRRO-MNOVXSKESA-N 294.345 3.558 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC(c2ccccc2)CC1 466367107 PLZXBIMBANUYJW-KRWDZBQOSA-N 286.419 3.930 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)c1cc(C)ccc1C 280686062 FDILBZCQDZZGPO-UHFFFAOYSA-N 282.343 3.743 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cccc(Cl)c1Cl 286107570 NLNMRWJJRHLMSU-GFCCVEGCSA-N 272.131 3.839 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1C 286262971 VDDUXVJXXCCZRA-AAEUAGOBSA-N 263.381 3.627 30 20 CHED CCc1ccc([C@H]2CCCN(c3ccc(C#N)nc3)C2)cc1 557760384 BADSSCBUJUHPHF-KRWDZBQOSA-N 291.398 3.900 30 20 CHED C=C(C)C[C@@H](C)c1nc(CN(C)C(=O)OC(C)(C)C)no1 289030998 WLFPYKSMNKVKMS-LLVKDONJSA-N 295.383 3.506 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(-c2ncc[nH]2)ccc1C 280239490 OVLLPAIPWCPHBV-QGZVFWFLSA-N 283.375 3.926 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 471709135 LOWNEAUENIPQHL-HKUYNNGSSA-N 283.415 3.753 30 20 CHED C=CCCC1(c2nc(-c3ccc4cc[nH]c4n3)no2)CC1 554823161 DEJPKHJJKSFOKT-UHFFFAOYSA-N 280.331 3.611 30 20 CHED C=CCC1(N[C@H](C)[C@@H]2C[C@H]2c2cccs2)CCOCC1 639315335 RYSYFOWNYVKNTG-QLFBSQMISA-N 291.460 3.955 30 20 CHED C=CCCCCNC(=O)c1cc(F)c(Cl)cc1F 471713057 FKGXCCAEVQFPNN-UHFFFAOYSA-N 273.710 3.704 30 20 CHED C=CCC1(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)CCC1 478682368 QDZUYPHQOHXTCW-SOUVJXGZSA-N 261.409 3.675 30 20 CHED C[C@@H](N=c1[nH]ccc(C#N)c1Cl)[C@H](C)c1ccccc1 553486142 QJQJUGCWBCEJKK-NWDGAFQWSA-N 285.778 3.633 30 20 CHED CC[C@H]1Cc2ccccc2CN1c1cc(C)nc(C#N)c1 557651522 GMICELVGYSVKDL-KRWDZBQOSA-N 277.371 3.603 30 20 CHED CCN(CCC#N)C(=O)Nc1cccc(C2CCC2)c1 292146813 WQSNDMNZMSDQLR-UHFFFAOYSA-N 271.364 3.722 30 20 CHED C=CCCCCCCCCNC(=O)[C@@H]1CCO[C@@H](C)C1 805277847 KTVBFTBRNZCSSZ-JKSUJKDBSA-N 281.440 3.834 30 20 CHED CC[C@@H](NCC1CC(F)(F)C1)c1ccc(C#N)cc1 293901407 ZQBIYRBUWIUROM-CQSZACIVSA-N 264.319 3.644 30 20 CHED C#Cc1ccc(CN2C[C@H](c3ccsc3)O[C@H](C)C2)cc1 809587186 MVCQXBJUINPTIQ-RDTXWAMCSA-N 297.423 3.691 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)cc1C 566028889 JAGGJYBUIAYQJM-GOSISDBHSA-N 284.403 3.896 30 20 CHED CC#CC(=O)Nc1cccc(COc2ccccc2)c1C 801164463 NXJZUYKRFNERTB-UHFFFAOYSA-N 279.339 3.536 30 20 CHED Cc1cc(C)c(NC(=O)CCCC#N)c(Br)c1 291334703 LUWZXXZGZQREHL-UHFFFAOYSA-N 295.180 3.698 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 474407198 DNVKBHVEIVGWDO-ZFWWWQNUSA-N 256.349 3.713 30 20 CHED CCO[C@H]1CC(=NNc2c(C)cccc2CC)[C@@H]1SC 807987458 GPKJOCSBCUUHQB-HOCLYGCPSA-N 292.448 3.866 30 20 CHED COc1cc(C#N)ccc1CNc1cc(C)ccc1F 560434124 IYEHGPYORPRICX-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(-c2ncc[nH]2)ccc1C 293715857 VBWCUIVIOKTEMJ-UHFFFAOYSA-N 283.375 3.926 30 20 CHED Cc1cc(OC(=O)c2sccc2C#N)c(C)c(C)c1C#N 809035653 IWNFQQAXYZJURG-UHFFFAOYSA-N 296.351 3.636 30 20 CHED C=CCn1c(N(CC(C)C)C(C)C)nnc1C(C)(C)C 564374916 BCZGBEYLBHZTCM-UHFFFAOYSA-N 278.444 3.632 30 20 CHED C#C[C@H](NC(=O)c1oc2ccc(OC)cc2c1C)C(C)(C)C 807879225 RWUMVAPMBIAZAZ-HNNXBMFYSA-N 299.370 3.528 30 20 CHED C=CCC1(C(=O)NCCc2ccc(F)cc2F)CCCC1 648926089 UABQHROYECMRFU-UHFFFAOYSA-N 293.357 3.760 30 20 CHED C=CCN(C)C(=O)Nc1ccc2nc(CC)sc2c1 646515161 XQRFVYBHLPYLOT-UHFFFAOYSA-N 275.377 3.508 30 20 CHED C#CCCOc1ccc(CN(C2CCC2)C2CCC2)cc1 814177949 WGBLAVDDISKQBF-UHFFFAOYSA-N 283.415 3.996 30 20 CHED Cc1noc(C)c1CCSc1cccc(F)c1C#N 566497568 DBORZKXIDJSJQU-UHFFFAOYSA-N 276.336 3.637 30 20 CHED C[C@@H](NN=C1CC(c2ccccc2)C1)c1ccncc1 819817857 GJSNRYYJSPPFGY-JBZHPUCOSA-N 265.360 3.666 30 20 CHED FC(F)(F)CC=NNc1cc(Cl)nc(Cl)c1 819828884 STDRNYFHUSCFOA-UHFFFAOYSA-N 272.057 3.739 30 20 CHED CCC[C@H](C)N(C)Cc1ccc(Cl)cc1C#N 480509726 DJFMLGBUFCICDO-NSHDSACASA-N 250.773 3.832 30 20 CHED Oc1cccc(C=NNc2ccccc2F)c1Cl 814790920 ZYMOHBHEZLTZHG-UHFFFAOYSA-N 264.687 3.631 30 20 CHED CCc1nc(S[C@H](C#N)C2CCCCC2)nc(O)c1C 568272352 UQTOLLFAYRNKLP-CYBMUJFWSA-N 291.420 3.618 30 20 CHED COc1cccc(O)c1C=Nc1ccc(C)c(F)c1 812390176 CMIAVMGJWYAUGU-UHFFFAOYSA-N 259.280 3.599 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 480618913 FCUYBYHCZIXVJZ-OLZOCXBDSA-N 264.413 3.647 30 20 CHED C(=NN=C(c1ccccc1)c1ccccc1)[C@@H]1CCCOC1 814691697 MWVLTLNFPIIWRC-INIZCTEOSA-N 292.382 3.936 30 20 CHED C#C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccc(Cl)cc1 811947996 VDHPPQGQEWJJBZ-CJNGLKHVSA-N 287.790 3.877 30 20 CHED C=CCCC1(c2nc(COc3ccc(F)cc3)no2)CC1 573285992 GLVYQBKWFFMWDL-UHFFFAOYSA-N 288.322 3.786 30 20 CHED C=CCCC1(c2nc(-c3c(C)nsc3C)no2)CC1 571990094 XMLLVYGAYKFEKP-UHFFFAOYSA-N 275.377 3.808 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)c1cn(C)c2ccccc12 488836510 IQEXVCUVSPUMQG-HUUCEWRRSA-N 296.414 3.849 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CC[C@@H](C)C1 814921770 AZFOCTNKNLTSHU-SECBINFHSA-N 266.776 3.841 30 20 CHED C=CCN(CCOC)[C@H](C)CCSc1ccccc1 484587781 VFOYMNSBPXJDES-OAHLLOKOSA-N 279.449 3.692 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc2ccoc2c1 489579701 PUEOCEQOPGILEN-UHFFFAOYSA-N 266.300 3.673 30 20 CHED CC1CC(C#N)(C(=O)OC[C@H](C)C2CCCCC2)C1 815219809 BOWJWQCYRYVDRY-UYJPIKCFSA-N 263.381 3.686 30 20 CHED COC(=O)c1ccc(SCC(C)(C)CC#N)cc1 571346025 WPDHJAAWHYQREW-UHFFFAOYSA-N 263.362 3.505 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC[C@H]1C(C)C 570248211 NHMIIYREDAROKD-INIZCTEOSA-N 296.418 3.756 30 20 CHED C=CCCCCOC(=O)c1ccc(C(=O)CC)cc1 811010601 VALXKGVGZPTDLB-UHFFFAOYSA-N 260.333 3.792 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C)c([N+](=O)[O-])c2)ccc1O 728230680 FBPOGWBMOOCDJR-ALCCZGGFSA-N 297.310 3.813 30 20 CHED CCCCCC[C@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 822350283 HMDJJMBLTDTFNH-WMLDXEAASA-N 276.424 3.936 30 20 CHED N#Cc1cc(F)ccc1COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 728616177 PLZCGEMBRDBWKZ-SGMGOOAPSA-N 287.334 3.567 30 20 CHED C=CCC(C)(C)c1nc(-c2ccncc2N2CCCC2)no1 577256751 OCUUOLPISHTNOM-UHFFFAOYSA-N 298.390 3.586 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1ccc(CC(C)C)cc1 725842844 WIPIJMHHMHFDMM-CQSZACIVSA-N 291.460 3.809 30 20 CHED CCCN(C(=O)CC1(C#N)CCCCC1)c1cccnc1 829764359 ZCCDKWWKMSTQMU-UHFFFAOYSA-N 285.391 3.689 30 20 CHED C=C(C)CCN1CCC[C@H]1Cc1cccc(OC)c1 574386761 JCNUXOCSVYIDIV-INIZCTEOSA-N 259.393 3.668 30 20 CHED CCCc1cc(=O)oc2cc(OCC3(C#N)CCC3)ccc12 828614344 OHPQWOGBJNTLMQ-UHFFFAOYSA-N 297.354 3.818 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CC[C@H](C)[C@H]1C 584563156 LBHWYXPUQDTTLH-UONOGXRCSA-N 288.439 3.747 30 20 CHED CCC[C@@H](CC)C(=O)N[C@H](C)c1cccc(C#N)c1 820444394 AUUVCXRZSYJKBB-TZMCWYRMSA-N 258.365 3.562 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NC(=O)CCCCCC#N)c1 588159292 KCCBARHJLLSZSF-MRXNPFEDSA-N 286.419 3.825 30 20 CHED COc1cccc(NN=C(C)c2ccc(F)cc2F)c1 725855131 LXHIYGQMRJXXGT-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(N2CCCC2)cc1C 491092815 CPLXFZJDOXASAQ-OAHLLOKOSA-N 299.418 3.519 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)COC2 822525276 DBQMZDMXPKTRLF-AWEZNQCLSA-N 292.382 3.781 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1ccc(F)nc1)C2=O 588524159 ZVTTUUBRVNOLJE-KYJZABPNSA-N 267.303 3.913 30 20 CHED CCN(CC)C(=O)Nc1scc(C(C)(C)C)c1C#N 821489012 USJYPQWVVPGWHG-UHFFFAOYSA-N 279.409 3.791 30 20 CHED C=C[C@@H](CC)CC(=O)OCCCCC(C)(C)C#N 909526524 YZZSXXRWHNYROF-ZDUSSCGKSA-N 251.370 3.852 30 20 CHED Cc1cc(C2OCCO2)c(C)cc1-c1ccc(C#N)s1 904766522 LTGPFJKBQLPXET-UHFFFAOYSA-N 285.368 3.949 30 20 CHED CCCOc1ccc(CN2CCC(C#N)CC2)c(C)c1 824645628 NHONQXCJPDNSQY-UHFFFAOYSA-N 272.392 3.519 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1N(C)C(C)C 820007503 XWMWFDZCKLFYRZ-UHFFFAOYSA-N 282.334 3.681 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC1(c2ccccc2C)CC1 494906018 CDWVKDROFMOFKZ-INIZCTEOSA-N 298.430 3.777 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(C(C)(C)C)ccc1OC 736953904 ZYXGIUSWGLBXCD-UHFFFAOYSA-N 296.798 3.867 30 20 CHED C=CCCNC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 661112069 INRSNVVUQORDMH-DLBZAZTESA-N 280.371 3.571 30 20 CHED COc1cccc(/C=N\CCc2cc3ccccc3o2)c1O 739426161 JQIXJUBYGRWTEP-UNOMPAQXSA-N 295.338 3.809 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(C#N)cc1 733749755 XACVUECBPROYFL-SREVYHEPSA-N 253.326 3.824 30 20 CHED CCn1cncc1/C=C1/C(=O)c2ccsc2S[C@H]1C 901478630 XEVRSWLYMKZGPG-DAVUEJTQSA-N 290.413 3.725 30 20 CHED C#CC1CCN(C(=O)Nc2cc(C)ccc2Cl)CC1 831554246 DGRCKPHMFYSUPH-UHFFFAOYSA-N 276.767 3.526 30 20 CHED COC(=O)c1cccc(NN=C(C)CC2CCC2)c1F 835019286 TUODJBFJMBPSJJ-UHFFFAOYSA-N 278.327 3.590 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1)NCC#Cc1ccccc1 901680691 ZWERQMQQOOSLTR-JLHYYAGUSA-N 295.769 3.521 30 20 CHED N#Cc1ccc(OCCNc2ccc(Cl)c(C#N)c2)cc1 589397941 JNQHLIXAYYXGRU-UHFFFAOYSA-N 297.745 3.574 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@@](C)(OC)C1CC1 839834767 JQQXZFRDZUTYKS-CZUORRHYSA-N 269.429 3.667 30 20 CHED N#CC1(CCCCOc2cccc(-n3cncn3)c2)CCC1 902713711 NWCOPDOVGIGBRO-UHFFFAOYSA-N 296.374 3.510 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2ccc(F)c(Cl)c2)o1 588557406 GTWMDEAVEQUYGP-UHFFFAOYSA-N 298.657 3.531 30 20 CHED C=CCCCOC(=O)c1nc(-c2ccccc2)cs1 735529650 HIULQNJMMTZRRY-UHFFFAOYSA-N 273.357 3.933 30 20 CHED O=[N+]([O-])c1ccc(NN=C/C=C/c2ccccc2)cc1 916244957 INFBWRBRXAPTDK-ZFCVXBDBSA-N 267.288 3.706 30 20 CHED C=CCOc1cccc(NC(=O)CCCc2ccccn2)c1 591444202 QQNGJRXNCFBRNA-UHFFFAOYSA-N 296.370 3.608 30 20 CHED CN(C[C@@H]1CC1(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 598551163 RKKAPUKWYVDBLO-CVEARBPZSA-N 284.403 3.578 30 20 CHED Cc1ccccc1Cc1noc(CC2(C#N)CCCCC2)n1 594734206 SGFGBZQKXOGYNS-UHFFFAOYSA-N 295.386 3.985 30 20 CHED CSc1ccccc1NC(=O)N1CCC[C@@H](CC#N)C1 596633895 QZFUHLRMKINDOS-LBPRGKRZSA-N 289.404 3.566 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)C(=O)C#Cc1ccccc1 747355327 OSGORCCJOSBXIB-AWEZNQCLSA-N 297.785 3.911 30 20 CHED C=C(Cl)C[S@](=O)[C@@H](C)c1ccc(Cl)cc1 849222471 BBXKWKJCYCTPII-VFZGTOFNSA-N 263.189 3.902 30 20 CHED C=C[C@@H](C)ONC(=O)C[C@H](CC)c1ccc(C)cc1 846545705 PKPQNYJBVPVELU-KGLIPLIRSA-N 261.365 3.501 30 20 CHED COc1cccc(C=NNc2cc(C)cc(C)c2)c1 916346662 NJVNPGNGMGNZOY-UHFFFAOYSA-N 254.333 3.758 30 20 CHED Cc1ccccc1N(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 598896083 YZXPJFLFGSLIFS-OAHLLOKOSA-N 292.382 3.708 30 20 CHED Cc1ccc(C[C@H](C#N)SC2=N[C@H](C)CS2)cc1 842568498 QPNDWIWJQORUMY-DGCLKSJQSA-N 276.430 3.654 30 20 CHED Cc1ccccc1C=NNCc1cccc2cccnc12 915961885 FBVDXZDJQVMTCC-UHFFFAOYSA-N 275.355 3.667 30 20 CHED Cc1cc(C)c(C)c(OC(=O)c2ccc(C#N)s2)c1 749318761 UHAJAAIUYZMNHI-UHFFFAOYSA-N 271.341 3.764 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNCc2cc(F)ccc2F)o1 915979650 XNGOLOUVKFFWPP-YGRLFVJLSA-N 290.313 3.805 30 20 CHED C#CCOc1cccc(NC(=O)N(CC)C[C@H](C)CC)c1 748948160 QPEKRFBSPFGGPE-CQSZACIVSA-N 288.391 3.599 30 20 CHED C#CC(C)(C)NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 742673063 NFILONWDVMLUBN-PKNBQFBNSA-N 295.304 3.637 30 20 CHED CCCCC[C@@H](C)CC(=O)NC1(C#N)CCCCC1 742605689 XVFAMQKYGPQZEA-CQSZACIVSA-N 264.413 3.936 30 20 CHED Cc1c(NN=C[C@@H](C)CC(C)C)cccc1C(=O)O 844622501 DXNNZXCOWCPKMK-NSHDSACASA-N 262.353 3.773 30 20 CHED C/C(=C/c1ccccc1)CNCc1cc(C#N)ccc1F 742382861 GTUYBPNZDRRJSK-ZROIWOOFSA-N 280.346 3.890 30 20 CHED CCCCNN=C(CC)c1ccc(OC(F)F)cc1 915966511 VHVQFQVHFSFFPZ-UHFFFAOYSA-N 270.323 3.792 30 20 CHED C=C[C@H](CC(=O)OCc1nc(C)oc1C)c1ccccc1 841339040 OYHKRGNZKYCTFA-CQSZACIVSA-N 285.343 3.695 30 20 CHED CO[C@@H](C=NNc1cc(F)c(F)cc1F)CC(C)C 841625295 FYNKNPVWMHKFLE-SECBINFHSA-N 274.286 3.563 30 20 CHED C=C(C)CCOC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 744299631 IQRAXZBWLVXQEQ-QWRGUYRKSA-N 266.287 3.578 30 20 CHED CCCCC[C@H](C)CC(=O)N(C)c1ccc(C#N)nc1 844825653 NIWVFBCUVLUREV-ZDUSSCGKSA-N 273.380 3.523 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCS[C@@H](c2ccccc2)C1 682380805 MFNIVJMFTKCTEH-NVXWUHKLSA-N 289.444 3.905 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(C)c1ccc(C#N)nc1 844824128 CSTYOILMRVAXIB-CQSZACIVSA-N 287.407 3.913 30 20 CHED C[C@H]1CC(C)(C)CN1Cc1ccc(N(C)CCC#N)cc1 840969767 LAIJLQYELISDPV-HNNXBMFYSA-N 285.435 3.657 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(SC)c(C(=O)O)c1 910947303 CMGQQBCMLHYAGR-UHFFFAOYSA-N 293.388 3.648 30 20 CHED C=CCSCCNC(=O)/C=C\c1cc(C)c(C)cc1C 745115528 KPWHGIMECCVAGX-SREVYHEPSA-N 289.444 3.660 30 20 CHED N#CC1(CCSC[C@@H]2CC3(CC3)C(=O)O2)CCCCC1 842179965 KUHLIKQYMDZHPN-ZDUSSCGKSA-N 293.432 3.679 30 20 CHED CC(Cc1ccccc1C)=NNc1nc2ccccc2[nH]1 743421908 LQMQJWUEIDALOZ-UHFFFAOYSA-N 278.359 3.902 30 20 CHED C#CCCc1noc(C(C)(C)Cc2ccc(Cl)cc2)n1 842491445 KDECSIKVDGKGCF-UHFFFAOYSA-N 288.778 3.809 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccccc1C#N 921109895 RAYRLPLWEKHMNP-CYBMUJFWSA-N 297.329 3.619 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](CC)c1ccc(Cl)s1 753265069 QFXVTSKYTDNBGT-UWVGGRQHSA-N 284.812 3.564 30 20 CHED Cc1cc(O)c(C=NOCCC(F)(F)F)cc1Cl 853336392 XPJWRMIAYYELDN-UHFFFAOYSA-N 281.661 3.657 30 20 CHED N#Cc1cnc(NC(=O)c2cccc(Cl)c2Cl)s1 759132611 ZJSLIZNZESRXLO-UHFFFAOYSA-N 298.154 3.574 30 20 CHED Cn1c(Cl)cnc1/C=C/C(=O)c1cccc(Cl)c1 752886869 MZKNEDFAAPWBMK-AATRIKPKSA-N 281.142 3.623 30 20 CHED c1ccc([C@@H]2CCCC2=NO[C@H]2CCCCO2)cc1 755817591 MXYVZIBJTFFGBF-HOCLYGCPSA-N 259.349 3.853 30 20 CHED C#CCCCC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 759173365 JEEIAFUCKHCPPI-UHFFFAOYSA-N 299.153 3.523 30 20 CHED C#CC[C@H](Nc1ccc(C#N)cc1F)c1ccccc1 756957694 ZMFFWAXZYHKVLD-INIZCTEOSA-N 264.303 3.874 30 20 CHED C[C@H](CC=NNc1cncc(Cl)n1)c1ccccc1 755639098 DGKXTIWDZMBTNO-LLVKDONJSA-N 274.755 3.722 30 20 CHED Cc1cccc2[nH]c(C=NOCCC(F)(F)F)cc12 853335784 GKGZNINQTVWROO-UHFFFAOYSA-N 270.254 3.779 30 20 CHED COc1cccc([C@H]2C[C@H](N[C@H](C)CC(C)(C)C#N)C2)c1 926545222 JXHDXVKICOGTIT-FVQBIDKESA-N 286.419 3.859 30 20 CHED OC[C@@H](NN=C1CCC(=C2CCC2)CC1)c1ccccc1 853339974 HVOUAGLFXPWONA-GOSISDBHSA-N 284.403 3.720 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl 756731079 DCDVWWPCHGYOJY-PGUXBMHVSA-N 285.790 3.845 30 20 CHED Cc1ccc(C)c(NN=Cc2nccn2C(C)C)c1 853275518 KFGHAFNMWHRRJA-UHFFFAOYSA-N 256.353 3.527 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1conc1C(C)C 860691587 ONTSATAISSXQKV-AWEZNQCLSA-N 251.326 3.557 30 20 CHED C=CCCCNC(=O)/C=C/c1ccc(SC)s1 861408738 XYEOCDYHSMERPK-SOFGYWHQSA-N 267.419 3.566 30 20 CHED CC#CCCOC(=O)CCC(=O)c1ccc(CCC)cc1 760282983 GTGZLJARPZQXHI-UHFFFAOYSA-N 286.371 3.559 30 20 CHED CC(C)N(CCC#N)Cc1ccc(CSC(F)F)o1 768762125 AEKRXPLTYFUUNY-UHFFFAOYSA-N 288.363 3.859 30 20 CHED C#CCCc1noc(-c2ccc3[nH]c4c(c3c2)CCCC4)n1 762016734 VKQOGCKQRDRMPW-UHFFFAOYSA-N 291.354 3.663 30 20 CHED Cc1cc(/C=C2\COc3ccc(F)cc3C2=O)ccc1C#N 766489794 GKPWAMGVJJHPPY-VGOFMYFVSA-N 293.297 3.665 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H](c2ccccc2)C1 931141470 DYFZJRHDENZNCO-GDBMZVCRSA-N 257.377 3.605 30 20 CHED CCn1c(C)cc(C=NNc2ncnc3ccsc23)c1C 764839945 HUEIYWKYXDQOOX-UHFFFAOYSA-N 299.403 3.576 30 20 CHED C#CCCOc1ccc(CNc2nc3ccccc3[nH]2)cc1 769655322 ZUBHETZSYIHTAA-UHFFFAOYSA-N 291.354 3.577 30 20 CHED C#CCCNc1cccc(OCc2ccc(F)cc2)c1 760289794 NNGRNUQSNOVRIG-UHFFFAOYSA-N 269.319 3.840 30 20 CHED C[C@@H]1CSC(SCCCCC(C)(C)C#N)=N1 767059595 UGHRAJVZYISMSV-SNVBAGLBSA-N 256.440 3.931 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1c(C)n[nH]c1C)C2=O 769747258 YYBQFIQKGVSMDE-ZROIWOOFSA-N 280.371 3.856 30 20 CHED N#CCCCCNc1ccc([N+](=O)[O-])cc1C(F)F 865508239 DKRRDDIUBSCLNZ-UHFFFAOYSA-N 269.251 3.638 30 20 CHED C#CCCc1noc(C2(c3cccs3)CCCCC2)n1 762018000 SHJJVAPKGQZWDB-UHFFFAOYSA-N 286.400 3.947 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@H]2c2ccccc2)cc1 769764715 CCDVOFZSNFANFX-HNNXBMFYSA-N 280.327 3.730 30 20 CHED C#C[C@H](C)N(C)Cc1csc(-c2ccc(CC)cc2)n1 769978050 ODZLIJYTJXPAFT-ZDUSSCGKSA-N 284.428 3.826 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)s1 762441744 BJNATIYOAWFTIP-RJRFIUFISA-N 274.732 3.564 30 20 CHED CC(=O)[C@@](C#N)(CCN(C)C1CCCCC1)c1ccccc1 877935243 QAPHACSQYNLCSA-IBGZPJMESA-N 298.430 3.692 30 20 CHED COC(=O)c1ccccc1NN=Cc1cc2ccccc2o1 776187453 OQUKWKFKLDRFJX-UHFFFAOYSA-N 294.310 3.665 30 20 CHED C=CCN(c1nn2cc(-c3ccccc3)nc2s1)C1CC1 771716622 GCSKKONIRBMKHL-UHFFFAOYSA-N 296.399 3.613 30 20 CHED CCCCCCCOC(=O)c1cccc([S@@](C)=O)c1 770587542 LAVDZVODGZBKJM-LJQANCHMSA-N 282.405 3.551 30 20 CHED N#Cc1cccc(N(C(=O)CCC2CC2)C2CCC2)c1 1119488486 YPNPLKDQPLNOHT-UHFFFAOYSA-N 268.360 3.634 30 20 CHED C=C[C@](C)(CC)c1nnc(CCOc2ccccc2)o1 1118430900 ZCXQGETXKKOKDC-MRXNPFEDSA-N 272.348 3.545 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc2c(c1)oc1ccccc12 1117456007 USMCIPSHXNLLHR-GFCCVEGCSA-N 277.323 3.680 30 20 CHED CCCC[C@H](C)c1nnc(-c2cccc(C#N)c2)o1 1118138841 MDXGNVCMWRWMMQ-NSHDSACASA-N 255.321 3.902 30 20 CHED C=CCOc1cccc(NC(=O)N2CC(C)(C)C2(C)C)c1 1116190252 JFHLAVZCGXGJQW-UHFFFAOYSA-N 288.391 3.904 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C)c2ccccc12 1121161140 OJAKUZDTEZZDPC-AWEZNQCLSA-N 280.371 3.913 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C)c(Cl)c1F 1121161410 SGRMISYCJYWDNA-SNVBAGLBSA-N 282.746 3.552 30 20 CHED CCC(=NNc1nc2ccccc2cc1C)[C@H]1CCOC1 776783477 VCGCLPDWMAGNGL-AWEZNQCLSA-N 283.375 3.758 30 20 CHED C#C[C@@H](C)N(C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 775182502 ARSYNMBFPNTWIN-SNVBAGLBSA-N 296.197 3.723 30 20 CHED C#CC[C@@H](NCCC(=O)c1ccc(C)cc1)c1ccccc1 775655929 XUMPTFKTBPXBRA-LJQANCHMSA-N 291.394 3.922 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@@H](CCF)C1)c1ccccc1 1123928615 SAHKBUZTWQAYOV-GOEBONIOSA-N 275.367 3.554 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1 75912376 LYWIYDNGXJJTTN-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1cccc(C(=O)Nc2cc3ccccc3cc2C#N)n1 1129796178 NUKSPQAVXXOMKT-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 1123233054 FHTUIRGDAUTYSG-JYJNAYRXSA-N 299.418 3.686 30 20 CHED CC(C)(C)CC(=NNC(=S)Nc1ccccn1)C1CC1 787163075 PTNLTVSYAQDBLM-UHFFFAOYSA-N 290.436 3.570 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1CCCN(c2ccccc2)C1 788320519 OHTDMBUKJLIUJF-RZKQZQCBSA-N 294.398 3.728 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1cnc2ccccc2n1 783839745 QWJVFHIFBNXMSM-OLZOCXBDSA-N 268.364 3.854 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2cncs2)cc1 787172976 UHSCNTPKFHYIFZ-SREVYHEPSA-N 295.367 3.738 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1coc2ccccc12 780247727 UURLYPZKZGVRLQ-CYBMUJFWSA-N 286.375 3.704 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccccc3)cn2c1 789128291 RHOSCWYHACSOGW-HJWRWDBZSA-N 262.312 3.539 30 20 CHED CC[C@H](CC#N)OC(=O)CCc1c[nH]c2cc(C)ccc12 787092891 LDDSBGLBXJXDRP-CQSZACIVSA-N 284.359 3.644 30 20 CHED CCc1ccc(C(C)=NNc2ncncc2Cl)cc1 780274661 CYZSQTGKXHSRPW-UHFFFAOYSA-N 274.755 3.529 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)C[C@@H](OC)C2 784216433 RTGITNHQLYQFGT-KRWDZBQOSA-N 285.387 3.507 30 20 CHED CC(C)(C#N)CCOC(=O)C1(Cc2ccccc2F)CC1 785812220 CZCZGYYIMMUSOA-UHFFFAOYSA-N 289.350 3.631 30 20 CHED CC(=NNc1cccc2c1CCCC2)[C@@]1(C)CCCO1 782205994 NMBSBGLRRUEAOT-QGZVFWFLSA-N 272.392 3.922 30 20 CHED N#Cc1cc(CNc2cccc(F)c2F)ccc1F 83451469 NFBSIMGBJSSICG-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#C[C@@H]1CCCN(c2ccnc3cc(F)c(Cl)cc23)C1 895649178 XKYFVKYERKTEKQ-JTQLQIEISA-N 289.741 3.767 30 20 CHED CC(Cc1ccccc1F)=NNc1ncccc1Cl 780211889 KTNHFWMRDRRPES-UHFFFAOYSA-N 277.730 3.905 30 20 CHED C=C(C)CCN1CCC[C@@H]1C[C@H](O)c1cccs1 274820623 YDCSMBQJNBUHFV-KGLIPLIRSA-N 265.422 3.602 30 20 CHED C=C[C@H](N)c1cc(Br)cc(C(F)(F)F)c1 95643765 XNDPJLAOLSIKQX-VIFPVBQESA-N 280.087 3.654 30 20 CHED CCN(CCC#N)C(=O)c1sc2ccccc2c1Cl 103208273 UHWBABWIXMIOOL-UHFFFAOYSA-N 292.791 3.930 30 20 CHED N#CCCCC[S@@](=O)[C@@H]1CCc2cc(Cl)ccc21 794786911 GWOCMHLPOJZJDA-RDTXWAMCSA-N 281.808 3.770 30 20 CHED CC(C)C[C@H]1CCC[C@@H](NCc2ccc(C#N)cn2)C1 793153248 PBAQDYPWWAAIPG-GDBMZVCRSA-N 271.408 3.648 30 20 CHED CC[C@H](C)NN=Cc1cnc(-c2ccc(C)cc2)s1 790188462 JKUBPCZTFTXMIP-LBPRGKRZSA-N 273.405 3.841 30 20 CHED CCCCCCC[S@@](=O)Cc1ccc2c(c1)OCO2 794915092 OCVIYXJUGLHWHD-LJQANCHMSA-N 282.405 3.634 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)c1cccc2ccccc12 593388099 AKHAVWMCPBDTJF-QWHCGFSZSA-N 266.344 3.567 30 20 CHED Cc1ncoc1-c1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 896702805 QHCMMFDJOTWDLM-WFASDCNBSA-N 267.332 3.754 30 20 CHED COc1ccc(C#N)cc1COC(=O)c1occc1C(C)C 792615677 NJYSJUMWGHGPBF-UHFFFAOYSA-N 299.326 3.640 30 20 CHED N#Cc1ccc(CNCc2sccc2Cl)c(F)c1 193091178 KHZFSLSVRQFHET-UHFFFAOYSA-N 280.755 3.702 30 20 CHED CC(=NNc1cccc(F)n1)c1csc(Cl)c1 795007867 OVRGDXAMTIWZMW-UHFFFAOYSA-N 269.732 3.772 30 20 CHED CSCCON=CC(C)(C)CN(C)Cc1ccccc1 794572007 JAMRCIDAJRQCEC-UHFFFAOYSA-N 294.464 3.510 30 20 CHED CC#CCCN(Cc1ccccc1)C[C@H](O)c1ccccc1 796365684 ZLAZTHBMYNQNNS-FQEVSTJZSA-N 293.410 3.636 30 20 CHED CC(CCc1ccccc1)=NNc1ncccc1C 790194027 UCTFHUIBNUSICH-UHFFFAOYSA-N 253.349 3.811 30 20 CHED C[C@@H]1CC(=NNCC(C)(C)CO)C[C@@H](c2ccccc2)C1 799115592 GQIBCZVWCZSQOP-HOCLYGCPSA-N 288.435 3.554 30 20 CHED CC[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 83510116 CYEVFXVDOWWMAC-KRWDZBQOSA-N 268.335 3.938 30 20 CHED CC(CN1Cc2ccccc2C1)=NNc1ccc(F)cc1C 792634753 ISMGTQGTORYUPL-UHFFFAOYSA-N 297.377 3.938 30 20 CHED COc1cccc(C=NNc2ncccc2C)c1OC(C)C 790190160 GCCMZMSVLVQZMT-UHFFFAOYSA-N 299.374 3.632 30 20 CHED Cc1nc(NCc2cc(C(C)C)no2)c(Cl)cc1C#N 589687932 VSUTWOFKSYVYOF-UHFFFAOYSA-N 290.754 3.639 30 20 CHED C#CCN(Cc1nc2ccccc2c(C)c1Cl)C1CC1 763955163 IQLBOMWEKAEHFQ-UHFFFAOYSA-N 284.790 3.794 30 20 CHED C[C@@H](Cc1cccs1)Nc1ccc(C#N)c([N+](=O)[O-])c1 94591943 HXUQUMMZYUFHOU-JTQLQIEISA-N 287.344 3.571 30 20 CHED Cc1cc(C)c(/C=C\CN2CC[C@](F)(C#N)C2)c(C)c1 1308687426 BNWVCLLLTWQBIT-CHYADLBTSA-N 272.367 3.563 30 20 CHED C[C@H](C#N)CN(C)[C@@H]1C[C@H](C)Sc2sccc21 1308625550 JCYPUTFRQWRWAT-JFGNBEQYSA-N 266.435 3.765 30 20 CHED N#Cc1sc(NC[C@@H]2CCC[C@H]2C2CC2)nc1Cl 1307141398 MDTMBGPYLSDVAH-UWVGGRQHSA-N 281.812 3.906 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(Cl)c(C#N)n1 1161994398 ZRMQUTCNMKLVEN-JFGNBEQYSA-N 263.772 3.843 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1cccc(F)c1F 1321136762 PIJWVYRZNGLMBS-SECBINFHSA-N 270.348 3.606 30 20 CHED CC[C@@H]1CCC[C@H]1c1nnc(-c2ccc(C#N)cc2)o1 1327355754 XYYGAVBJDAVPPZ-TZMCWYRMSA-N 267.332 3.902 30 20 CHED C=C(CNC(=O)N[C@H](CC)[C@H]1CC1(C)C)c1ccccc1 1251694842 POEQWHYTGYKCDY-HZPDHXFCSA-N 286.419 3.824 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1cccc(F)c1F 1323476252 RNEJFRZISDQXFM-SNVBAGLBSA-N 284.375 3.996 30 20 CHED CCCCCCCNC(=O)c1cn(C)cc1C(F)(F)F 1335415937 APMWHJUOGZOLLF-UHFFFAOYSA-N 290.329 3.744 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCSc2c(F)cccc21 1335666785 UYSJFVDZUHNLGZ-CYBMUJFWSA-N 279.380 3.835 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1ccc(F)c(F)c1 1347303470 WUTYLZMRVJVQQS-UHFFFAOYSA-N 267.319 3.526 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 1342263751 RSXFNTODODQMTC-INIZCTEOSA-N 282.318 3.578 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1cc(C#N)c(F)cc1F 1438610059 IDZKHCPDAFJQGW-JTQLQIEISA-N 280.318 3.847 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCc1ccc(Cl)s1 1357328483 WXZHLZKTZWZPMI-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C=CCN(Cc1cscc1Br)C(C)C 809547734 VFXNPLBWLXLRGL-UHFFFAOYSA-N 274.227 3.907 30 20 CHED C[C@@H]1C[C@@H](Nc2nccnc2C#N)C[C@H](c2ccccc2)C1 1458428941 BYURVLRCENGMQN-NUEKZKHPSA-N 292.386 3.733 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cc(F)cc(C#N)c2)C12CCCC2 1474666700 ROJIBVPVGMEJMW-HZPDHXFCSA-N 288.366 3.847 30 20 CHED CO[C@@H](CC(C)C)CN(Cc1ccc(C#N)cc1)C1CC1 1473305528 ZDEYJZBPVCMVRV-SFHVURJKSA-N 286.419 3.584 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)n1 1472777279 RXXRJVRQYIJYBK-HZPDHXFCSA-N 292.386 3.795 30 20 CHED CC(C)(C)c1csc(NC(=O)N[C@H]2CC2(C)C)c1C#N 1625091113 AIIJWIZUZJKBNO-NSHDSACASA-N 291.420 3.837 30 20 CHED C[C@H]1CC[C@H](CNC2CC(C#N)(c3ccccc3)C2)C1 230410366 IJUBDWDBBKCFBP-QEFXCSQDSA-N 268.404 3.636 30 20 CHED N#C[C@@H]1CCCN(CCOc2cc(Cl)cc(Cl)c2)C1 1644439474 BTBHAIMEYBLRRS-NSHDSACASA-N 299.201 3.608 30 20 CHED C=C(C)CCC(=O)Nc1cccc2cc(C(=O)O)sc12 1573324633 WERVJXRWKVBVMF-UHFFFAOYSA-N 289.356 3.894 30 20 CHED C=CCCC[C@@H](NCCCC(=O)O)c1ccccc1 1588459017 ZKFZVVHYCQGEIC-OAHLLOKOSA-N 261.365 3.538 30 20 CHED N#Cc1cncc(N[C@@H]2CCCC[C@@H]2Cc2ccccc2)n1 1655098468 DVMFCOUOQJPLSA-NVXWUHKLSA-N 292.386 3.562 30 20 CHED CCc1nc(C#N)cc(N2CC[C@@H](C(C)(C)C)C[C@@H]2C)n1 1651906505 HOHLXYFPBUUALU-QWHCGFSZSA-N 286.423 3.562 30 20 CHED C=CCC[C@@H](NCc1scc(Cl)c1Cl)C(=O)O 1776167768 IDRUSOMXESWDAV-MRVPVSSYSA-N 294.203 3.564 30 20 CHED O=C(O)c1ccc(NN=C[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 1776012398 RGPHENZQMKRNSW-BBRMVZONSA-N 298.317 3.725 30 20 CHED Cc1cc(C)cc(CC=NNc2ccc(C(=O)O)cc2)c1 1776012314 ONLXJLFLUSMALB-UHFFFAOYSA-N 282.343 3.642 30 20 CHED C=C(Cl)C[S@@](=O)[C@@H](CC)c1ccc(F)cc1 150812812 XKOGTBJFQVBZBN-LRDDRELGSA-N 260.761 3.778 30 20 CHED CC[C@@H](CC(=O)N(C)[C@@H](C)CC#N)c1ccc(C)cc1 158883146 FSCJHXPCJALOCQ-GJZGRUSLSA-N 272.392 3.639 30 20 CHED C=C(Cl)CN[C@H]1CCCc2c1[nH]c1ccccc21 160994848 RCSFBRBQUFZMHK-AWEZNQCLSA-N 260.768 3.887 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 153844969 QVYHXDVDIBRNQH-MNOVXSKESA-N 285.309 3.575 30 20 CHED CCCC1(CNC(=O)c2c(F)cc(C#N)cc2F)CCC1 157505337 FXMBKLIYQUZWKO-UHFFFAOYSA-N 292.329 3.537 30 20 CHED C=CCN(C)C(=O)NCC(CC)(CC)c1ccccc1 155156352 FHGLRIGUYSTNFB-UHFFFAOYSA-N 274.408 3.572 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccc(-n2cccc2)cc1 154226631 UWTBEFWLTVWSCG-HNNXBMFYSA-N 282.343 3.572 30 20 CHED C#CCCCCNC(=O)C[C@@H](c1ccccc1)C(C)C 156545251 HHJKSGPRYQTYTC-QGZVFWFLSA-N 271.404 3.736 30 20 CHED Cc1c([C@H](O)C(C)C)ccc(C#N)c1C(F)(F)F 725326786 WCDRPXMVJXJYRM-GFCCVEGCSA-N 257.255 3.575 30 20 CHED C=C(CN[C@@H]1CCc2ccccc2C1)c1ccccc1 126657209 FIGFTARWZHBDBR-LJQANCHMSA-N 263.384 3.847 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(C#N)cc1OC 130213309 GQCZTKBXLCBBKP-ZDUSSCGKSA-N 274.364 3.722 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC(C)(C)C2(C)C)n1 1320278578 CLEYRHSFYJLCMO-UHFFFAOYSA-N 271.408 3.876 30 20 CHED CC(C)CCOc1ccc(CNCC(C)(C)C#N)cc1 168941769 IRFFYCHLBWWEHF-UHFFFAOYSA-N 274.408 3.751 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CCO1 157863044 WPNOWPGRYLMBJZ-BXKDBHETSA-N 284.281 3.556 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(OCC#N)cc1 293736658 OWNSSWLGDNQXKA-CQSZACIVSA-N 272.392 3.842 30 20 CHED C[C@@H]1[C@@H](NCc2cccc(C#N)c2F)CCC[C@H]1C 300241832 VCDFWTOHSQGOSE-XUJVJEKNSA-N 260.356 3.612 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1cccc(CC#N)c1 402694628 GXCGMJGMRHXXMJ-NSHDSACASA-N 284.281 3.670 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(F)cc(Cl)c1 464814562 SHGFGTPDLGCLCN-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCOc1ccccc1CNC[C@H](C)C(F)(F)F 479588585 JQNLCGCGMAZJFB-NSHDSACASA-N 273.298 3.539 30 20 CHED C=CCCSCCN[C@H](C)CCc1ccc(O)cc1 597184833 OXORIQJVUGBINT-CQSZACIVSA-N 279.449 3.612 30 20 CHED Cc1c(Cl)cccc1NC(=S)NN=C1CCCC1 6684686 SZMGIAJQKJFTTA-UHFFFAOYSA-N 281.812 3.865 30 20 CHED Cc1cc(C)cc(C(=O)OCc2cccc(C#N)c2)c1 7439920 MTPSUGJRYILRAT-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCCCCC#N 171870676 YUKGEJFOHUQOQA-INIZCTEOSA-N 287.407 3.719 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1ccccc1 53755378 GCTAVRFLICUCPV-UHFFFAOYSA-N 295.342 3.989 30 20 CHED Cc1oc(C)c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1C 26123434 DRHMHJZSQDUNCW-LLVKDONJSA-N 282.343 3.568 30 20 CHED C[C@H](C(=O)N[C@H](C#N)C1CCCCC1)c1cccc(F)c1 176644345 BLJRDNMLQQOWCD-BLLLJJGKSA-N 288.366 3.518 30 20 CHED C=CCN1CCc2sccc2[C@@H]1c1cccs1 52917315 OIWYERNQGCDDNT-CQSZACIVSA-N 261.415 3.943 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1 108241565 UNTFSIKNVWENCZ-LBPRGKRZSA-N 297.383 3.586 30 20 CHED N#CCCCOc1cccc(NC(=O)C(C2CC2)C2CC2)c1 119217550 BWTMUPXTTDWWSV-UHFFFAOYSA-N 298.386 3.744 30 20 CHED CCCCCCCCCC(=O)N[C@H](C#N)C(C)C 113819295 CZIKMSHJRMNMPB-CQSZACIVSA-N 252.402 3.791 30 20 CHED CN(Cc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 301103149 RYUAAQIILROBAK-UHFFFAOYSA-N 288.297 3.796 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1coc(-c2ccccc2)n1 1351112625 PCIVWCPQCYRQJY-UHFFFAOYSA-N 298.386 3.745 30 20 CHED C[C@H]1CCCN(c2cc(Br)c(C#N)cc2F)C1 310419273 NWTYLEPEXLFOPN-VIFPVBQESA-N 297.171 3.696 30 20 CHED CCCCCCN/C(N)=N/Cc1cc(C(CC)CC)no1 304774892 CDUNNQWHAVICMR-UHFFFAOYSA-N 294.443 3.563 30 20 CHED Cc1cc(-c2noc(C3(C#N)CCCC3)n2)ccc1F 177726087 YCEQOMSYGIJXSY-UHFFFAOYSA-N 271.295 3.520 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C2CC2)nc2ccccc12 116863474 JDWMPBXFGSRKFO-LBPRGKRZSA-N 280.371 3.807 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C)C1 173901124 KVJVYBPRPSUFJP-MGPQQGTHSA-N 295.386 3.576 30 20 CHED N#CCCCN[C@@H]1CCCC[C@H]1Cc1ccccc1 119097413 CRNLYBFDTJVAEO-DLBZAZTESA-N 256.393 3.681 30 20 CHED C[C@H](CC#N)NC(=O)CCCc1csc2ccccc12 176123849 KYSBGYXIVBLWPO-GFCCVEGCSA-N 286.400 3.642 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1(c2ccccc2)CCC1 178635920 OCIGKXWYBBIXBD-UHFFFAOYSA-N 290.366 3.927 30 20 CHED N#Cc1cccc(C#N)c1NCCC1=CCCCC1 302399355 DOCSIOKOOQGCDI-UHFFFAOYSA-N 251.333 3.732 30 20 CHED Cc1ccc(N/C(N)=N/CCc2cccc(Cl)c2)cc1 303774965 GLAZRFMSNRVMOO-UHFFFAOYSA-N 287.794 3.618 30 20 CHED C[C@@H](OC(=O)c1cccc(F)c1F)c1ccc(C#N)cc1 175787344 LYGQHVSSSSTYFF-SNVBAGLBSA-N 287.265 3.754 30 20 CHED COc1c(Cl)cccc1NC(=O)c1ccsc1C#N 1357506189 WMOGULHWBJAVSA-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCOc1ccc(/C=C/C(=O)c2c(C)nn(CC)c2C)cc1 65722687 GADBDCQMIFHOJP-FMIVXFBMSA-N 298.386 3.815 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(Cl)cnn2C)cc1C 122609333 QLWANUDCLANVPO-VOTSOKGWSA-N 274.751 3.586 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cc(C#N)ccc1F 182579042 NJFRUKFDQDBJAF-LBPRGKRZSA-N 295.317 3.600 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)cc1Cl 184879183 LWPIOILZZZTYFE-UHFFFAOYSA-N 253.704 3.611 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCCc3sccc32)c1 120553344 IQUHRZFWUKSWBA-HNNXBMFYSA-N 296.395 3.929 30 20 CHED CCc1cccc(Nc2nnc(CC)c(CC)c2C#N)c1 124890531 XISZDPNPFPPWFT-UHFFFAOYSA-N 280.375 3.779 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCCOc3c(F)cccc32)C1 185892191 RCRSTSIKEGTWNP-WOSRLPQWSA-N 288.366 3.711 30 20 CHED CCCCCCCCCCC(=O)NC1CCN(C)CC1 126298264 QEEZPXCZRCQFNP-UHFFFAOYSA-N 282.472 3.728 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)NCCCCC#N)CC1 184445549 KDJZMQIIAHIFOD-HUUCEWRRSA-N 279.428 3.584 30 20 CHED C[C@H](NCc1ccnc2ccccc12)c1ccc(C#N)cc1 315905133 UBMNQCKDOYIUEW-AWEZNQCLSA-N 287.366 3.957 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)[C@H](C)CN(C)[C@@H]2C 416392395 SGVZJWHENSMCOY-ZYHUDNBSSA-N 265.360 3.525 30 20 CHED C[C@@H](C#N)CNC(=O)N1CCC[C@@H]1CCC1CCCCC1 182757205 BQUXUYOEWBUEBO-GOEBONIOSA-N 291.439 3.681 30 20 CHED C=CCN(CC=C)Cc1c(C)nn(-c2ccc(F)cc2)c1C 505868090 KPMVHUBWEVUOHJ-UHFFFAOYSA-N 299.393 3.802 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)c(F)c(C)c1 189908111 GLMOZOJULYIOEH-UHFFFAOYSA-N 290.382 3.987 30 20 CHED C[C@H](CCC#N)N1CCC(Cc2c(F)cccc2F)CC1 411807303 KBINDMTXIUKEIB-CYBMUJFWSA-N 292.373 3.912 30 20 CHED C=CCSCCNC(=O)Cc1ccc(C(C)(C)C)cc1 508909913 YZFOOFTYTBJGAK-UHFFFAOYSA-N 291.460 3.562 30 20 CHED C=CCN1CCC(N[C@@H](C)c2csc(C(C)C)n2)CC1 186325345 NJFHBINUQRXBGP-ZDUSSCGKSA-N 293.480 3.568 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H](C)C(C)C 121569983 UAIWFYUTVIRELS-ZDUSSCGKSA-N 252.402 3.647 30 20 CHED CCN1CC[C@H](N(C)CCCCC(C)(C)C#N)C[C@@H]1C 336827826 KCGGQIPQQILJJY-HOTGVXAUSA-N 279.472 3.511 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 39002135 PZPSDTHATJOKML-ZZXKWVIFSA-N 277.663 3.737 30 20 CHED O=C(/C=C\c1cccc(Cl)c1)c1cc(O)ccc1O 213635524 YZHNPAKQKRXETD-XQRVVYSFSA-N 274.703 3.647 30 20 CHED C=CCN(C(=O)CCc1ccsc1)c1ccccc1 71846333 GHYMJPKJAUEKQY-UHFFFAOYSA-N 271.385 3.900 30 20 CHED COc1cc(C)c(NC(=O)Nc2ccc(C#N)cc2)cc1F 185544149 GDHBKDAHIDMSQZ-UHFFFAOYSA-N 299.305 3.658 30 20 CHED CCCCc1noc([C@H](C)Nc2ccc(CC#N)cc2)n1 78900668 RNBZQXLGLLUTIE-LBPRGKRZSA-N 284.363 3.651 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@H]1C=CCCC1 189176195 JFARZZBRMYVDJE-INIZCTEOSA-N 276.424 3.911 30 20 CHED CCCN(CCCCC#N)CCc1cccs1 184508091 CQVOSIVRUAUUCA-UHFFFAOYSA-N 250.411 3.696 30 20 CHED CC(C)c1ccccc1NC(=O)Cc1ccc(C#N)cc1 70158516 SZYINFMSVCMCNB-UHFFFAOYSA-N 278.355 3.863 30 20 CHED C=CC[C@@H](CC)NC(=O)CCSCc1ccccc1 410125322 NVQVHVHHFJDMTC-OAHLLOKOSA-N 277.433 3.781 30 20 CHED Cc1cc(COc2c(F)cccc2F)ccc1C#N 447287037 MAEPACFYCOKYHC-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@]1(C)C(C)C 185860783 IIURBTPRDNPKAC-GUYCJALGSA-N 286.375 3.578 30 20 CHED C=CCN(CC=C)C(=O)c1coc2cc(C)c(C)cc12 184989658 ZLXFOVDULTXTMC-UHFFFAOYSA-N 269.344 3.864 30 20 CHED C=CC[C@H](CC)N[C@@H](C)Cc1cc(OC)c(OC)cc1C 502355325 PJTBUBIKJVJSSJ-HOCLYGCPSA-N 291.435 3.888 30 20 CHED C=CC[C@H](C(=O)NC[C@@H](OC)C(C)(C)C)c1ccccc1 188365252 HTBDUDNPTDFHJZ-JKSUJKDBSA-N 289.419 3.524 30 20 CHED COc1ccc(C[C@@H](C)CN[C@H]2CCC[C@H](C#N)C2)cc1 185873985 NJNZNPLAJFTQLZ-PVAVHDDUSA-N 286.419 3.546 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCSc2c(F)cccc21 185076425 FFEJWWZVWWUTIE-CYBMUJFWSA-N 291.391 3.528 30 20 CHED Cc1ccc2c(CC(=O)Nc3ccccc3C#N)c[nH]c2c1 76709021 OQIIFHXJZUPRFP-UHFFFAOYSA-N 289.338 3.529 30 20 CHED N#CC1(CC[S@@](=O)C2CCCCC2)CCCCC1 414265325 UYWJKBJIUIYILV-GOSISDBHSA-N 267.438 3.932 30 20 CHED N#CCSCCCN1CCC[C@@H]1CCc1ccccc1 74981926 AZJBMXYYNVOYNU-QGZVFWFLSA-N 288.460 3.730 30 20 CHED C=CCn1c(N(C)Cc2cccc(C)c2)nnc1C(C)(C)C 508711661 CJOHQUCWYPMVEK-UHFFFAOYSA-N 298.434 3.706 30 20 CHED Cc1ccc2oc(C(=O)Nc3ccccc3C#N)cc2c1 42893550 NHVCEEFFZWQRSN-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C=C(C)CN(CC)Cc1ccc(-c2ncco2)cc1F 411152982 IIRGUKIVUFMTCG-UHFFFAOYSA-N 274.339 3.879 30 20 CHED Cc1ccc(C#N)c(N(C)C[C@H](C)c2ccccc2)n1 500250601 DDZKOHOTAZTEJG-ZDUSSCGKSA-N 265.360 3.502 30 20 CHED C=C(Cl)CNC(=O)c1oc2ccc(Cl)cc2c1C 134817641 DCFDQUGBIBUCPY-UHFFFAOYSA-N 284.142 3.877 30 20 CHED COc1cccc(Cl)c1CN[C@@H]1CCC[C@@H](C#N)C1 193351497 RKHDCPBVMKOHPC-VXGBXAGGSA-N 278.783 3.521 30 20 CHED CC[C@H](/N=C(/O)[C@@H]1CCC(=O)[C@@H](C)C1)c1nccs1 328897976 CZIKTBZPSIBSAR-AXFHLTTASA-N 280.393 3.556 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)c1 191230620 KZRMYHVLIWJHNI-GOSISDBHSA-N 279.387 3.542 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CCCS1)c1ccccc1 133949462 DLQFEQYJRZXBSL-GJZGRUSLSA-N 275.417 3.706 30 20 CHED N#Cc1cccc(OCCCN2CCC[C@H]3CCC[C@H]32)c1 228013205 KYFYBRBHPXSASZ-SJLPKXTDSA-N 284.403 3.592 30 20 CHED C#CCCCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 192125265 UBTZNLVYMXPQAQ-OAHLLOKOSA-N 269.388 3.617 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1coc(C2CCC2)n1 194645597 RHSHOJSRVGUJKU-UHFFFAOYSA-N 289.379 3.534 30 20 CHED N#Cc1ccc(CN[C@@H](Cc2ccccc2)C(F)F)s1 421866244 BAWFUUQHBKWYKY-AWEZNQCLSA-N 292.354 3.586 30 20 CHED C=CCC1(C(=O)Nc2cccc(C#N)c2C)CCC1 191929566 OIJKBGIPPKPDBL-UHFFFAOYSA-N 254.333 3.552 30 20 CHED CC1(NC(O)=Nc2nc3ccsc3s2)CCCC1 329593103 ZPIZVULOTNMLSE-UHFFFAOYSA-N 281.406 3.826 30 20 CHED CC(C)OCCCCNc1ccc(Cl)cc1C#N 228562817 PRQYWVLTWBCBBM-UHFFFAOYSA-N 266.772 3.829 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)nc2ccc(OC)cc12 133081187 WFRRTAOJPIAXBX-UHFFFAOYSA-N 298.386 3.590 30 20 CHED C[C@@]1(C/N=C(/O)c2scnc2C2CCCC2)CCOC1 329784227 PDIWJKPXQVZBLE-HNNXBMFYSA-N 294.420 3.532 30 20 CHED C#CCCCC(=O)N1CCCC2(CCCCCC2)C1 192142406 OSHHRCOCDBNFKL-UHFFFAOYSA-N 261.409 3.753 30 20 CHED Cc1nnc(N(C)Cc2ccc(C(C)C)cc2)c(C#N)c1C 44711658 ANPYIPARNIUQQH-UHFFFAOYSA-N 294.402 3.725 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ncc(C2CCOCC2)s1 424870983 VUDNKPCLUGJUAI-UHFFFAOYSA-N 294.420 3.578 30 20 CHED Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(C#N)s1 335020505 DAENHBZETDDCBF-INIZCTEOSA-N 298.411 3.932 30 20 CHED C=C(C)C(C)(C)c1nc([C@@H]2CCCCS2)no1 335247806 ARCHGGMTEOLUSC-JTQLQIEISA-N 252.383 3.882 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)cc2)c(C(F)(F)F)o1 336056668 NZIHMYQCWNRBSK-UHFFFAOYSA-N 294.232 3.731 30 20 CHED Cc1csc(NC(=O)c2cc(Cl)ccc2F)c1C#N 335672854 YYDQAOYCGZJNDY-UHFFFAOYSA-N 294.738 3.973 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C#N)cc1Cl 425548061 JNDXOGHHRRLWOQ-UHFFFAOYSA-N 262.740 3.752 30 20 CHED CC(C)C1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1 333574639 QIMQUURWDOTMOS-JTTJXQCZSA-N 288.435 3.791 30 20 CHED CCCN(CC)C(=O)c1sc2ccc(C#N)cc2c1C 429801089 GGRMIHQXRLKEEW-UHFFFAOYSA-N 286.400 3.954 30 20 CHED CC(C)(C)CCCCNC(=O)Cc1c(F)cccc1C#N 511194778 ZWMLNOSWVOUBNQ-UHFFFAOYSA-N 290.382 3.572 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2cccc(C#N)c2)C1 533701850 CPQBYQNBUMTEJE-ZDUSSCGKSA-N 256.349 3.713 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(-c2ncco2)c1 335721876 OGXFMQPSHVGFDL-HNNXBMFYSA-N 297.358 3.914 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)c1ccc(F)cc1 429890424 PDJAQPXTBNEKPC-LBPRGKRZSA-N 263.356 3.648 30 20 CHED N#Cc1cc(NC[C@@H]2CCC[C@H](N)C2)ccc1C(F)(F)F 420291149 VNDUOXOUXPGGBK-PWSUYJOCSA-N 297.324 3.506 30 20 CHED N#Cc1cc(NC(=O)c2coc(C3CCCC3)n2)ccc1F 331888409 DVWFNIYJFNFULG-UHFFFAOYSA-N 299.305 3.595 30 20 CHED CN(C(=O)Nc1cccc(CC#N)c1)C1CCCCCC1 334741210 QDGNHJNMCBRGRN-UHFFFAOYSA-N 285.391 3.939 30 20 CHED Cc1cscc1NC(=O)Nc1cccc(C#N)c1 163272374 SNPVRAZBDQSJPX-UHFFFAOYSA-N 257.318 3.572 30 20 CHED Cn1c(N=C(O)CC2(C)CCCCC2)nc2cccnc21 330293386 HTHAXRUGBWHYHF-UHFFFAOYSA-N 286.379 3.917 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 336029338 MGCYLQQDHYUWAZ-WDEREUQCSA-N 286.762 3.830 30 20 CHED CCN(Cc1cc(C#N)cs1)Cc1c(F)cccc1F 92935727 SQUFVONUGFELHE-UHFFFAOYSA-N 292.354 3.920 30 20 CHED CCCCN(C(=O)Cc1c(F)cccc1C#N)[C@H](C)CC 511878783 LTCIIOCQQMIRHF-CYBMUJFWSA-N 290.382 3.667 30 20 CHED N#Cc1c(Cl)nsc1Oc1cccc(F)c1 92581565 RIPSEALDADZERU-UHFFFAOYSA-N 254.673 3.600 30 20 CHED C=CCN1CCC(N[C@@H](c2ccc(C)cc2)C2CC2)CC1 91334222 OTSYECKUAVNGOD-IBGZPJMESA-N 284.447 3.686 30 20 CHED Cc1oc2ccccc2c1CN[C@@H]1CC[C@@H](C#N)C1 334546525 BQLKECWXIRWYJA-CHWSQXEVSA-N 254.333 3.523 30 20 CHED C[C@@H]1CC[C@H](NCc2cccc(OCCCC#N)c2)C1 436410912 MYWXBHYKYMFCFS-ZBFHGGJFSA-N 272.392 3.647 30 20 CHED CCCCOc1ccc(CN(CC#N)CCC)cc1OC 92398379 JSZWQFWUMHSHCR-UHFFFAOYSA-N 290.407 3.610 30 20 CHED Cc1c(C(=O)N[C@](C)(C#N)C(C)C)oc2c(C)cccc12 97106151 JQXRKEIRDQLKGK-QGZVFWFLSA-N 284.359 3.718 30 20 CHED C[C@]1(/N=C(/O)CCc2cnc[nH]2)CCCc2ccccc21 330024833 KDAQIZOYVLPVNP-KRWDZBQOSA-N 283.375 3.551 30 20 CHED Cc1[nH]c2ccc(F)cc2c1CCN[C@H]1CCC[C@H](C#N)C1 527997049 SVVLMFOTEPGFQY-ZFWWWQNUSA-N 299.393 3.830 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1[C@@H](C)[C@H]1C1CC1 527783743 RZABVOIAFJEAMI-TUKIKUTGSA-N 275.417 3.555 30 20 CHED N#CCc1ccc(CSCC[C@H]2CCCO2)cc1 344893463 XYTUXHWBKUTMBM-OAHLLOKOSA-N 261.390 3.555 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@@H]2CCc3ccccc32)no1 346553567 ZLUJYYITKNMDFS-CRAIPNDOSA-N 298.386 3.628 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(CC(C)C)cc1 435748916 HDSYKCWHMXSPBO-OALUTQOASA-N 287.447 3.956 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC2(CCCC2)c2ccccc21 434018889 SZEJSSCWPSHJHK-HNNXBMFYSA-N 299.414 3.826 30 20 CHED N#CCc1ccccc1NC(=O)CC1(c2ccccc2)CC1 529290090 LSWIEQBDTSYBAA-UHFFFAOYSA-N 290.366 3.813 30 20 CHED Cc1ccc2oc(SCc3ccc(F)c(C#N)c3)nc2n1 342430137 BORJBMZZPDOLSN-UHFFFAOYSA-N 299.330 3.834 30 20 CHED C=CCCCCN[C@H](CC)c1ccc2c(c1)OCCO2 349427411 XPQQPTPDOGMJFN-OAHLLOKOSA-N 275.392 3.855 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@]1(C)CC 343668246 HSLWNKKUINUZID-SUMWQHHRSA-N 285.391 3.755 30 20 CHED CCC(C#N)(CC)C(=O)N1CC2(CCCC2)[C@@H]1C(C)C 529470661 KLRWMNSWMSQTIQ-AWEZNQCLSA-N 276.424 3.744 30 20 CHED CC1CCC(CC(=O)N(C)c2cccc(C#N)c2)CC1 609651928 PXMZWEYZMOLHMO-UHFFFAOYSA-N 270.376 3.737 30 20 CHED CC[C@H](NC[C@@H](C)CCC#N)c1ccc(F)cc1F 602557925 PPROUHAWIGSIIG-NHYWBVRUSA-N 266.335 3.945 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)CCCC#N)c1ccccn1 602420188 VGXOHLFADZGEMO-HNNXBMFYSA-N 293.370 3.870 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cncc2ccccc12 525954385 RMZHHCKTKKYBLP-INIZCTEOSA-N 254.333 3.776 30 20 CHED COc1ccc(C[C@@H](C)CNc2nc(C)ccc2C#N)cc1 346675281 ROHKFIWYOJHTGG-CYBMUJFWSA-N 295.386 3.561 30 20 CHED Cc1ccccc1C=NOCc1cccc(Cl)n1 254943840 WPXPWWWOBLCERT-UHFFFAOYSA-N 260.724 3.594 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(-n2cccn2)c1 343946113 LQVCZUCAZDULRZ-UHFFFAOYSA-N 281.359 3.579 30 20 CHED CCC(C#N)(CC)c1nc([C@@H]2CCCC[C@@H]2C)no1 528130906 JNQNCYLUFZWYBG-NWDGAFQWSA-N 261.369 3.945 30 20 CHED C=CCCOc1ccccc1C(=O)NCc1ccccc1 523497242 VIFJJDFRPMHQQM-UHFFFAOYSA-N 281.355 3.572 30 20 CHED C=CCOc1cccc(NC(=O)c2ncccc2Cl)c1 342072702 DGRRKDYEJHEGGL-UHFFFAOYSA-N 288.734 3.552 30 20 CHED COc1ccc(OC)c(C=NOCc2ccc(C)cc2)c1 255696040 AAPNSJQGEVPHQA-UHFFFAOYSA-N 285.343 3.563 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H](Nc2ccccc2)C1 602478576 ZQBPRBLZKHVLMH-NVXWUHKLSA-N 271.408 3.503 30 20 CHED CC1(CNC(=O)C[C@H](CC#N)c2ccccc2)CCCC1 355829815 ONGZGNTVJZRWBY-INIZCTEOSA-N 284.403 3.770 30 20 CHED C[C@@H]1C[C@@H]1[C@H](NCC1(C#N)CC1)c1ccc(Cl)cc1 538325259 VPLWOTWTJRKQJQ-BYCMXARLSA-N 274.795 3.930 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 601789772 DCDBSUQTJQMUMJ-MLGOLLRUSA-N 288.366 3.723 30 20 CHED C=CCCC1(C(=O)N2CCC3(CCCC3)CC2)CC1 356146927 PUXCZSSJDSHLFD-UHFFFAOYSA-N 261.409 3.916 30 20 CHED CCN(CC)CCSCC#Cc1ccc(Cl)cc1 443420174 UALFNLLEDNLZTJ-UHFFFAOYSA-N 281.852 3.767 30 20 CHED N#CCCCCN[C@@H]1CCCC[C@H]1c1ccccc1 268898085 LWANPWSKBCIMIE-DLBZAZTESA-N 256.393 3.996 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(OC)cc1O)c1ccccc1 443582917 ZEZXMECUYCHQBF-ZDUSSCGKSA-N 297.354 3.699 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(CCN3CCCCC3)cc2)C1 442868607 GWTDJCUZAWWSAD-HKUYNNGSSA-N 297.446 3.819 30 20 CHED CC(C)CSCCCN1CCCC(C)(C)[C@H]1C#N 444734034 YCULRZVZRXOBKU-CQSZACIVSA-N 268.470 3.780 30 20 CHED C=C(CC)COc1ccc(N(C)C(=O)NC(C)C)cc1 539095150 IYLNUKNEDBWVAJ-UHFFFAOYSA-N 276.380 3.586 30 20 CHED Cc1nn(C)c2cc(Nc3ncc(C#N)cc3Cl)ccc12 359953018 SEPDSHPVXUGQGV-UHFFFAOYSA-N 297.749 3.545 30 20 CHED CCC(CC)CN(CCC#N)C[C@H]1CCC(C)(C)O1 359852647 HKWODLFSGACSBZ-OAHLLOKOSA-N 266.429 3.596 30 20 CHED C=CCCC(=O)Nc1ccc(NC(=O)CCC=C)c(C)c1 619323680 GZJPPRBWXRDGNN-UHFFFAOYSA-N 286.375 3.804 30 20 CHED CCC1(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CCCC1 618789622 LWNAYLJTXVVZEY-INIZCTEOSA-N 282.387 3.632 30 20 CHED N#Cc1ccc(CNCc2ccsc2)cc1Cl 619748357 BJVREMYMPXCMDT-UHFFFAOYSA-N 262.765 3.563 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)N[C@@H](C#N)C(C)C)c1C 445954310 AZTBUGOSTBVQBA-HNNXBMFYSA-N 296.370 3.841 30 20 CHED CCC(CC)c1noc(-c2ccc(CC#N)cc2)n1 356548523 YLHPNEIRGXUNFE-UHFFFAOYSA-N 255.321 3.706 30 20 CHED C[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)CC(C)(C)C 610659925 MPFRCIMXMCAGDN-NWDGAFQWSA-N 252.402 3.503 30 20 CHED CC[C@@H](CC(=O)N(CCC#N)CCC#N)c1ccc(C)cc1 265662712 RERDESDSRWSSTJ-INIZCTEOSA-N 297.402 3.535 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)Oc1cccc(Cl)c1 538334540 YEHYZYBBGCWIBR-STQMWFEESA-N 295.810 3.968 30 20 CHED C=C[C@H](CC(=O)NCC#Cc1ccccc1)c1ccccc1 533889034 RDSUQVSQFCHUBI-GOSISDBHSA-N 289.378 3.514 30 20 CHED CCN(Cc1ccc(Cl)cc1)C[C@@H](C#N)CCC#N 264825831 BXILDARKLWLCOH-CQSZACIVSA-N 275.783 3.605 30 20 CHED CCS[C@@H]1CCCCN(Cc2cccc(C#N)c2F)C1 352893287 NIARTIOTYGYITO-OAHLLOKOSA-N 292.423 3.805 30 20 CHED CCOc1ccc(CN(CCC#N)CCC(C)C)cc1 353408110 YHJHZBJVXPVQFU-UHFFFAOYSA-N 274.408 3.847 30 20 CHED CCc1cnc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 530732932 RINITEQDXTXGKA-IRXDYDNUSA-N 295.386 3.509 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1CC1(C#N)CC1 538349828 OWMPNOIIGIRVHS-SJORKVTESA-N 268.404 3.948 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCC[C@](C)(C#N)C1 612488728 XLVTUBVGMMQWKO-CZUORRHYSA-N 264.413 3.601 30 20 CHED C=C(C)CCNC(=O)N1CC(C)(C)[C@H]1c1cccs1 455310011 CNXZWPCTSGTDAM-CYBMUJFWSA-N 278.421 3.807 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)o1 613255191 XNHKVDZPENSBBB-COMQUAJESA-N 258.365 3.575 30 20 CHED N#Cc1ccnc(S[C@@H]2CCCc3ccccc32)n1 450380632 RPMZJSHCTHGORB-CQSZACIVSA-N 267.357 3.518 30 20 CHED CCCCCCCC(=O)NCc1csc([C@@H](C)OC)n1 267667246 BUUCUYXTTRMKLO-GFCCVEGCSA-N 298.452 3.827 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCc2ccccc21 458984492 GNCQQJDHCNBAPK-OAHLLOKOSA-N 272.392 3.528 30 20 CHED CC(C)[C@@H]1C[C@H]1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 456328977 ZQBZWVKMDLNEEU-IRXDYDNUSA-N 298.430 3.535 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1ccc(SC)cc1 454928309 FZWNSDFXHXOMFA-GFCCVEGCSA-N 278.421 3.735 30 20 CHED C=CCC1(CNC(=O)[C@H](C)C(C)(F)F)CCCC1 456510088 RGJXQWCDLWVBBW-NSHDSACASA-N 259.340 3.530 30 20 CHED C=CCCC1(C(=O)N2Cc3ccccc3OC[C@H]2C)CC1 361860182 KPDADDSEZDZOEI-CQSZACIVSA-N 285.387 3.543 30 20 CHED C=CCCCCNC(=O)N(C)[C@H](C)c1ccc(OC)cc1 274577077 MVLHRRIPBJAMHF-CQSZACIVSA-N 290.407 3.754 30 20 CHED COc1ccccc1CCCNc1ccc(C#N)cc1OC 547414716 KTHAPTCTXKJGNK-UHFFFAOYSA-N 296.370 3.620 30 20 CHED CC(F)(F)CCC(=O)N[C@@H](CCC#N)c1ccccc1 610976697 NNRJOHNTCCVZFZ-ZDUSSCGKSA-N 280.318 3.583 30 20 CHED Cc1ccc(NC(=O)NCC(C)(C)C#N)cc1C(F)(F)F 611619903 GEHJCNKJLZBJPR-UHFFFAOYSA-N 299.296 3.685 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2cc(C)cc(C)c2)no1 273686739 JAEGXROBNDUMMZ-CQSZACIVSA-N 286.375 3.931 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2ccc(F)c(C#N)c2)c1 548419754 UJCRLGVSCPFHCY-UHFFFAOYSA-N 296.345 3.671 30 20 CHED C=CCC[C@H](NC(=O)NC1CC(F)(F)C1)c1ccccc1 277590229 HODCXIPQJSFQAP-AWEZNQCLSA-N 294.345 3.791 30 20 CHED C=C(C)CCNC(=O)c1ccc(C(F)(F)F)c(F)c1 452718249 OXYPVKMDIYLBIW-UHFFFAOYSA-N 275.245 3.541 30 20 CHED CC#CCCNC(=O)[C@H](CCC)c1cccc(Cl)c1 626388164 DIFXXXCPXKCOOA-OAHLLOKOSA-N 277.795 3.753 30 20 CHED Cc1csc([C@@H](C)CNc2cccc(F)c2C#N)n1 273286470 JPVWBZASAXMYHK-VIFPVBQESA-N 275.352 3.678 30 20 CHED C=CCCC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 272321916 QKBLXTACCDYCMR-ZDUSSCGKSA-N 285.309 3.633 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 454963909 RIVNBFMLCXDNSR-KGLIPLIRSA-N 291.439 3.536 30 20 CHED COCCN(CCCCC(C)(C)C#N)Cc1ccc(C)o1 277739673 OSIUBKKGIQAJLD-UHFFFAOYSA-N 292.423 3.757 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 458310171 XENYQYJFJHFGPS-VHDGCEQUSA-N 287.428 3.883 30 20 CHED CC(C)(C#N)CC[S@@](=O)CCCCc1ccccc1 547487655 SGJUQKSOYNKBBV-IBGZPJMESA-N 277.433 3.698 30 20 CHED CC#CCCNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 543668840 HGEKQSSVGCEFJC-OAHLLOKOSA-N 277.795 3.609 30 20 CHED CC(C)(C#N)CC(=O)N1CCCCC[C@H]1c1ccco1 278373233 PSPQYOCUUZLLGT-ZDUSSCGKSA-N 274.364 3.663 30 20 CHED N#CCCCNC(=O)N[C@H](CC1CCC1)c1ccccc1 273503275 ICFWMENGUPEOBM-MRXNPFEDSA-N 285.391 3.521 30 20 CHED Cc1ccc(CN(C)C(=O)[C@@H](C)c2cccc(C#N)c2)s1 462022190 ZKJOUSWTXADENB-ZDUSSCGKSA-N 298.411 3.690 30 20 CHED C=CCCCC(=O)N1Cc2ccccc2C(C)(C)C1 270618582 GXKCKDXPUDRUCB-UHFFFAOYSA-N 257.377 3.663 30 20 CHED C=CCC[C@H](C)Nc1ncccc1CCCCOC 462828888 SCNNIKBGQIPPHO-AWEZNQCLSA-N 262.397 3.817 30 20 CHED C=CCCOCCN[C@@H]1CCC[C@H](c2ncccc2C)C1 281502326 GVDHBAAZGKNQCZ-DLBZAZTESA-N 288.435 3.599 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 623857682 UGNUXRTYXIQCIT-UPJWGTAASA-N 288.382 3.664 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ccc(C)s1 620856895 FBMYTKMAHWCINP-UHFFFAOYSA-N 265.422 3.850 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCCC1(C)C 460953257 SYJCVRZNTSARQL-UHFFFAOYSA-N 290.455 3.822 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)CCCCC#N 289471683 RAIXPWQYLQTNQN-INIZCTEOSA-N 260.381 3.772 30 20 CHED C=CC[C@H](CC)NCc1cc(OC)c(OCC)c(OC)c1 281243694 FOSADHUXWNHNRJ-AWEZNQCLSA-N 293.407 3.547 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)C[C@@H]1C 460802603 HEKWVBOKNYOZPL-MJBXVCDLSA-N 276.428 3.602 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F 468012616 WWBMRWHVBFFELQ-AKWBHNSASA-N 279.330 3.539 30 20 CHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc2ccccc2o1 282335178 OKPWAGVGGRQWBK-YRGRVCCFSA-N 254.333 3.776 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc2c1CCCC2 280538489 HSTNWWJXKZDJPG-UHFFFAOYSA-N 280.327 3.591 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccsc1 550350864 FYSVHILUQFOPLM-WBMJQRKESA-N 290.432 3.830 30 20 CHED C=CCCCN[C@@H](c1cncc(Br)c1)C1CC1 285016384 ZMFWDZGKLCENHB-CQSZACIVSA-N 295.224 3.851 30 20 CHED C=CCCC1(C(=O)N2CCc3cc(Cl)ccc32)CC1 553297889 PXWOAEJGOBAZSO-UHFFFAOYSA-N 275.779 3.976 30 20 CHED C=CC[C@@H](CC)NC(=O)c1scc(C)c1Cl 281514228 WTOQDRDOMBNDAE-SECBINFHSA-N 257.786 3.794 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)C2CCCCC2)CC1 465993172 JMURUWWOCRKUDV-ZDUSSCGKSA-N 264.413 3.563 30 20 CHED N#CCCCC[S@](=O)Cc1cccc(C(F)F)c1 280965751 KWIYSLNWRREYKW-SFHVURJKSA-N 271.332 3.567 30 20 CHED CCC(C)(C)c1ccc(C[S@](=O)CCCC#N)cc1 284921186 BUELGKKIOAGAOM-LJQANCHMSA-N 277.433 3.927 30 20 CHED Cc1cc(N2CCC[C@H]2CCc2ccccc2)cc(C#N)n1 553289675 FOTMNUNIBVPXAI-SFHVURJKSA-N 291.398 3.863 30 20 CHED C#CCCCCC(=O)OCc1cnc2c(F)cccc2c1 286855742 GDLQUYHRQBYUCN-UHFFFAOYSA-N 285.318 3.611 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(Br)cc1 470288501 JLZFQRISGMDWRP-DAFODLJHSA-N 285.144 3.886 30 20 CHED CCOc1ccc(O)c(/C=N/CC(C)(C)CCC#N)c1 806552836 ZRXWPJFBQCDKTE-WOJGMQOQSA-N 274.364 3.540 30 20 CHED C[C@H](NCCC#N)c1cccc(OCc2ccccc2)c1 298659464 XYIWEOTYJMKNAN-HNNXBMFYSA-N 280.371 3.830 30 20 CHED Cc1c(C2CCCCC2)noc1NC(=O)CC(C)(C)C#N 297879618 UQSPSCYBXBWINJ-UHFFFAOYSA-N 289.379 3.909 30 20 CHED CC[C@H]1CCC1=NNCc1cnc2ccccc2c1 807977041 YJHMTRWAFIBFBM-ZDUSSCGKSA-N 253.349 3.500 30 20 CHED O=C1/C(=C\c2cccc(F)c2)Cc2nc(Cl)ccc21 806577388 BWLPBMVBXISIJD-POHAHGRESA-N 273.694 3.697 30 20 CHED C#CCCOc1ccc(CNC2(C(F)F)CCCC2)cc1 808451830 YOZBYVXAFIWPAX-UHFFFAOYSA-N 293.357 3.756 30 20 CHED CCN(C(=O)CCCC#N)c1ccc2ccccc2c1 291344232 OXVXPCNMEMMKQE-UHFFFAOYSA-N 266.344 3.887 30 20 CHED C=CCCCCCN(C)C(=O)CCc1scnc1C 298211799 WRQOQRVMSCSINK-UHFFFAOYSA-N 280.437 3.589 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CCOC)[C@H]1CC[C@H](C)C1 479756243 ZRWBNDKGNNTUCY-JYJNAYRXSA-N 296.455 3.578 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CCCC2 568753692 BCRLIZVCVIXACX-PMUMKWKESA-N 268.404 3.908 30 20 CHED C[C@@H]1/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 809155924 HXXOMHSYVOGPSC-YAFRSCOQSA-N 279.295 3.978 30 20 CHED CCCCCCC[C@H](C)NC[C@H]1CCOC[C@H]1C 809707016 PEWJOFGATVXFNJ-OWCLPIDISA-N 255.446 3.998 30 20 CHED C[C@H](C#N)OCCNc1ccc(COc2ccccc2)cc1 802745114 YQZSDAUIQFBONW-OAHLLOKOSA-N 296.370 3.606 30 20 CHED CC1(c2ccccc2)CCN([C@H]2CC[C@H](C#N)C2)CC1 293890708 VCZJNCACLZVGNA-RDJZCZTQSA-N 268.404 3.732 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 567237802 SGXPMRZTRYIIME-WMLDXEAASA-N 272.392 3.593 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@@H](C)CC2(C)C)cc1 471709822 UKZRHLNRTJTEOE-ZDUSSCGKSA-N 273.376 3.512 30 20 CHED C=CCN(CC=C)[C@H](C)C(=O)Nc1ccccc1C(C)C 563316720 WJNQBABLDOFGTN-OAHLLOKOSA-N 286.419 3.811 30 20 CHED CC(C)(C)CCC(=NNc1ncccn1)c1cscn1 807962495 LYZGHSUJGHJPLA-UHFFFAOYSA-N 289.408 3.576 30 20 CHED CC(C)(C(=O)COc1ccc(C#N)c(F)c1)c1ccccc1 475990727 WQWVQUNBSWJSQI-UHFFFAOYSA-N 297.329 3.623 30 20 CHED CC#CCN(C)C(=O)c1cccc(N[C@@H](C)C(C)C)c1C 647541457 UFKJQXDERXGGQT-HNNXBMFYSA-N 286.419 3.547 30 20 CHED CC(C)c1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1 561018017 QGTCDRPLHXKEHJ-RDJZCZTQSA-N 256.393 3.934 30 20 CHED C=CCCCCNc1ccc(C)c(C(=O)NC(C)C)c1 562561946 NBNFIHYPPPHSQG-UHFFFAOYSA-N 274.408 3.901 30 20 CHED C[C@@H]1/C(=C\c2cccc3nccn23)C(=O)c2ccccc21 809155587 AXHPMBJVZQBONQ-JASJWYONSA-N 274.323 3.718 30 20 CHED CC(C)Oc1cccc([C@H](C)NCc2ccc(C#N)cn2)c1 566415802 JXRFALPMSNTCAA-AWEZNQCLSA-N 295.386 3.591 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1nccnc1C1CCC1 807994603 VXQZHICHXRJLEV-GFCCVEGCSA-N 292.386 3.753 30 20 CHED C#C[C@H](NCc1cc2cc(F)ccc2o1)C(C)(C)C 809781492 STQRDKQEBGTGCR-HNNXBMFYSA-N 259.324 3.709 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2)c(C)c1OC 806569060 IXBHLBIUAQBDJU-PKNBQFBNSA-N 282.339 3.908 30 20 CHED C=C(CNC(=S)N[C@@H](C)c1ccccc1)c1ccccc1 806592414 ACMZXPRRDAQKCM-HNNXBMFYSA-N 296.439 3.925 30 20 CHED COc1ccc(/C=C2\C(=O)c3ccccc3[C@H]2C)cc1C#N 809157040 QBEFRVDMWKZMON-HJPCULJESA-N 289.334 3.950 30 20 CHED O=C1/C(=C/c2c[nH]c(C(F)(F)F)c2)Cc2ccccc21 806565733 QQUICHJPXRULQS-VZUCSPMQSA-N 277.245 3.856 30 20 CHED Fc1ccc(-c2ccc(C=NN[C@@H]3CCSC3)o2)cc1 808004447 POZVZCNFGSFNHZ-CYBMUJFWSA-N 290.363 3.515 30 20 CHED C=CCC[C@H](CC)N[C@@H](CCO)c1ccccc1F 647345123 DZRGYCBWKHYYMV-BBRMVZONSA-N 265.372 3.584 30 20 CHED C[C@@H]1CC(=NOC/C=C\Cl)c2c(O)ccc(F)c21 811670145 YKQZOPBIZQTOOQ-OCURTYIASA-N 269.703 3.512 30 20 CHED Cn1c(NN=Cc2cccc3cc[nH]c23)nc2ccccc21 814807480 XYIGFNJGLTZQIC-UHFFFAOYSA-N 289.342 3.501 30 20 CHED Oc1nc2ccccc2cc1C=NNc1ccccc1F 812459723 FSVGRZZJMVIXOH-UHFFFAOYSA-N 281.290 3.526 30 20 CHED C#C[C@H](NC(=O)C(C)(C)CSC)c1ccc(Cl)cc1 811950073 UZXBGFXIFOAJBT-ZDUSSCGKSA-N 295.835 3.520 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CCCc2ccccc21 562177743 OQGQLXUXWBZMLD-MRXNPFEDSA-N 299.418 3.693 30 20 CHED C=CCCn1cc(CN[C@H](c2ccccc2C)C(C)C)nn1 653604094 BORMPTQLHGEAMX-SFHVURJKSA-N 298.434 3.650 30 20 CHED C=C(C)C(C)(C)C(=O)N1Cc2ccccc2[C@H](C)C1 819016376 KIGOJMUAGCKZIP-CYBMUJFWSA-N 257.377 3.735 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC(C)(C)CCCO 657909780 OTHMFRXUPXWORL-LSDHHAIUSA-N 253.430 3.510 30 20 CHED C=CCC(C)(C)CNC(=O)/C=C/c1ccccc1F 814419954 FHOXPKORJWHZIR-MDZDMXLPSA-N 261.340 3.557 30 20 CHED COc1ccc(CN[C@@H](CCC#N)c2ccccc2)c(F)c1 573807512 AAKMNYZRFLFQEI-SFHVURJKSA-N 298.361 3.969 30 20 CHED CC[C@@H](C=NN=c1cc[nH]cc1Cl)c1ccccc1 814870342 XZXUZJVCZUEYOE-LBPRGKRZSA-N 273.767 3.748 30 20 CHED C=CCCC(C)(C)NCc1cccc(OCCOC)c1 657805523 QQWKRPNCWCQHFX-UHFFFAOYSA-N 277.408 3.546 30 20 CHED C#CC[C@H](OC(=O)c1ccc2c(c1)CCCC2=O)C(C)(C)C 816019432 KQEAWHQWWHRRAG-KRWDZBQOSA-N 298.382 3.800 30 20 CHED CC(C)n1nccc1/C=C1/Oc2cccc(Cl)c2C1=O 811699726 WUFCVKASJLHUTE-MDWZMJQESA-N 288.734 3.734 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(Cl)s1 815312981 QDZYMEGQTLNTIA-UHFFFAOYSA-N 266.696 3.656 30 20 CHED C[C@@H](NN=Cc1ccc2c(c1)CCCC2)c1ccncc1 819819348 XSGHASWTCHRFCD-CQSZACIVSA-N 279.387 3.645 30 20 CHED CC(C)c1cnc(C=NNc2ccc([N+](=O)[O-])cc2)s1 814682439 MDKLCVYHWGZQCY-UHFFFAOYSA-N 290.348 3.621 30 20 CHED Cc1ccc(F)c(NN=Cc2cccc(O)c2Cl)c1 814872334 KYQNHTRUBVLPGD-UHFFFAOYSA-N 278.714 3.939 30 20 CHED C=CCC(C)(C)c1noc(C(F)(F)c2nccs2)n1 815705518 OPTYCFXZULACEW-UHFFFAOYSA-N 285.319 3.520 30 20 CHED C[C@H](C1CC1)n1cc(N[C@H]2CCc3ccc(C#N)cc32)cn1 573529658 HDLIEQYNNNCDSD-XIKOKIGWSA-N 292.386 3.825 30 20 CHED CN(CC(C)(C)C#N)[C@H]1CCc2cc(Cl)ccc21 814668821 DYZAZXXLKPBXQZ-AWEZNQCLSA-N 262.784 3.809 30 20 CHED C#CCOc1ccc([C@H](C)Nc2ccc3c(c2)CCN3)cc1 817950747 YODZXPRHOOHJHG-AWEZNQCLSA-N 292.382 3.840 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNC[C@@H]1CCSC1 811661506 MDNCHFBBFMBKJV-ZDUSSCGKSA-N 282.840 3.601 30 20 CHED CC[C@H](C(=O)Nc1ccccc1CC#N)c1ccccc1 576601833 PSGGMXCICXALMO-INIZCTEOSA-N 278.355 3.885 30 20 CHED N#Cc1ccc(OCCNc2cccc(F)c2Cl)cc1 574363148 OOGHKHZZGKWIPK-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C[C@H]1CCC(=NNc2nnc(-c3ccccc3)s2)C1 814949051 RJWWTQNHLJARLR-JTQLQIEISA-N 272.377 3.793 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H](Cc2ccccc2)C1 815469784 XUAVWMHEHBMXIV-OAHLLOKOSA-N 293.357 3.679 30 20 CHED N#Cc1ccc(C(=O)N2CCCC3(CCCCC3)C2)s1 487660328 WTRVVGIPELVRBH-UHFFFAOYSA-N 288.416 3.806 30 20 CHED CCCC(=NNCCCOc1ccccc1)c1ccccn1 814838241 FYWJSEUKDRQQHA-UHFFFAOYSA-N 297.402 3.645 30 20 CHED Fc1ccc(C(C[C@H]2CCCO2)=NNc2ccccn2)cc1 811631822 OMHDVWPXWKHGEB-OAHLLOKOSA-N 299.349 3.606 30 20 CHED C=CCCCCOc1ccc(NC(=O)CSC)cc1 573786865 RKARAARKURXRMW-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C=CCCC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 726526691 WXXLPFIFJSTRBK-AWEZNQCLSA-N 293.794 3.676 30 20 CHED N#Cc1c(Cl)nsc1N1CCCCCCCC1 829076864 CINPCXSLCKCKCG-UHFFFAOYSA-N 269.801 3.829 30 20 CHED COc1cc(C(=O)/C=C\c2cccc(Cl)c2Cl)on1 821021008 ASTSCYWCSLEEBX-WAYWQWQTSA-N 298.125 3.886 30 20 CHED C=C(C)CNC(=O)c1ccc(OCCCC)cc1Cl 490037507 SKOCRTBNZYZFIN-UHFFFAOYSA-N 281.783 3.825 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccc(F)cc1O 727777540 RSBATJPJCPGTAO-UHFFFAOYSA-N 295.317 3.916 30 20 CHED COc1cccc(NN=C(C)c2c(F)cccc2F)c1 725853922 XJNJLLHFDOKMFE-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C=CCC1(NCC[C@@H](C)c2ccccc2)CCOCC1 668551722 VFDURWXOADHWMC-MRXNPFEDSA-N 273.420 3.895 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCc2cc(C)cs2)C1 661264278 RDZAUFDVUBDVGM-CYBMUJFWSA-N 278.421 3.554 30 20 CHED C=CCC1(CNCc2cccc(OC)c2O)CCCC1 825079656 YZTRZILTDHBZJH-UHFFFAOYSA-N 275.392 3.627 30 20 CHED C=CCCCCCN(C)C(=O)c1ncnc2ccsc12 669049173 OGCUDOXEONFNED-UHFFFAOYSA-N 289.404 3.510 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)NC1(C#N)CC1 588472298 PKTMMWVMUDTBPE-CLFYSBASSA-N 295.169 3.569 30 20 CHED C[C@@]1(CCNCc2ccc(C#N)cc2)CC1(Cl)Cl 824963987 GVJHLWYRBUOSEZ-CYBMUJFWSA-N 283.202 3.622 30 20 CHED CC[C@H](NCCc1scnc1C)c1cccc(C#N)c1 903009276 YQGLOIYTUBWFKQ-HNNXBMFYSA-N 285.416 3.607 30 20 CHED CCOc1ccc(NC(=O)CCCCCC#N)cc1F 588152778 VJJFPWWGOGZLEX-UHFFFAOYSA-N 278.327 3.637 30 20 CHED C[C@@H](NN=Cc1cccc(C(F)(F)F)c1)C(F)(F)F 834997475 YVMKNAQUCJFEFN-SSDOTTSWSA-N 284.203 3.580 30 20 CHED C#Cc1cccc(N(CCCC(=O)O)Cc2cccs2)c1 736091117 OZYOBTGVGPQDEA-UHFFFAOYSA-N 299.395 3.601 30 20 CHED C(=NNc1cccnn1)c1ccc(-c2ccccc2)cc1 735973965 ZWQRTMMBHNQEDA-UHFFFAOYSA-N 274.327 3.590 30 20 CHED CCCCCCCCC/C=C\C(=O)N[C@@H](C)C#N 737819037 QKLJSNYKGKDTOE-NYHXXUGCSA-N 250.386 3.712 30 20 CHED C=C(Cl)CNC(=O)C1(c2ccccc2F)CCCC1 736245914 GBJROOQLXFPSSR-UHFFFAOYSA-N 281.758 3.506 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc3ccncc3s2)C1 839059527 UEAVFRACSZLROR-CMPLNLGQSA-N 286.356 3.535 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1cncc(F)c1 737425157 PUMFRYDYCHTPCE-UHFFFAOYSA-N 299.136 3.759 30 20 CHED CC[C@H](N[C@H](C)[C@@](C)(OC)C1CC1)c1cccc(C#N)c1 903019078 JRLHSFXYRYROAR-JEBQAFNWSA-N 286.419 3.803 30 20 CHED Cc1cc(Nc2ncc(C#N)cc2Cl)ccc1N(C)C 734142436 WUCGHGBYGXCVKQ-UHFFFAOYSA-N 286.766 3.725 30 20 CHED C=C(Br)CN1CCC[C@H]1Cc1ccc(C)cc1 733614540 SEABQIGKIQFMLM-HNNXBMFYSA-N 294.236 3.911 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cc[nH]c1 731613575 IJIUQKWMKIOUCF-ZDUSSCGKSA-N 250.386 3.741 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C#CC(C)(C)C)C1 837439779 GNGHOIJBXBPSAU-CZUORRHYSA-N 287.378 3.785 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 830045832 XRGIWNUWIVLUSE-MRXNPFEDSA-N 293.357 3.828 30 20 CHED FCCC[C@@H]1CCCC1=NNc1ncc(F)cc1F 835022671 PJZMZAURMBUFKL-VIFPVBQESA-N 271.286 3.678 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1CCc1ccccc1 917580194 WRPNIJQLMQHVQY-MRXNPFEDSA-N 288.460 3.534 30 20 CHED CC#CCN1CCC[C@@H]1c1ccccc1Br 674869287 VPXKVHCHGREGRJ-CQSZACIVSA-N 278.193 3.609 30 20 CHED Cc1cccc(NN=Cc2csc(-c3ccccn3)n2)c1 915935450 DOFQERPXHLRBGL-UHFFFAOYSA-N 294.383 3.960 30 20 CHED O=C(NC1CC=CC1)c1ccc(C#Cc2ccccc2)cc1 675349505 XBCBIQZQZLGGTG-UHFFFAOYSA-N 287.362 3.535 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1ccc2ccccc2c1 917555977 XSYCJWCHFSOIEG-UHFFFAOYSA-N 290.326 3.844 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)c1ccc(C(C)C)cc1 915969234 MWHAWYLESIXGRN-UHFFFAOYSA-N 298.346 3.949 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@]1(c2ccccc2)CC1(C)C 598551486 SVFAUCDZOFISEF-SFHVURJKSA-N 294.354 3.515 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cc(C)c(C)s2)n1 598852111 FQTZEFDVVKENJF-UHFFFAOYSA-N 285.372 3.501 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nnc(-c3ccccc3F)o2)C1 590711335 XBUFRQCVOYMAQT-NXEZZACHSA-N 289.335 3.660 30 20 CHED CC(C)(C#N)CCCOc1cccc(OC2CC2)c1 596312665 YGTPHWQMIDNKNO-UHFFFAOYSA-N 259.349 3.937 30 20 CHED CCC(C[C@H](C)CC)=NNc1cncc(Cl)n1 915959003 GSAGDSQYCGIFJX-SECBINFHSA-N 254.765 3.744 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2occc2C)c1 742371339 RDZIWJNVXDDAAZ-OAHLLOKOSA-N 284.359 3.559 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2)c(OC)c1 916268189 PBFRBFYLOZVGGI-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C=CCCCC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 748236266 UIYNNCSHEHCFHL-UHFFFAOYSA-N 283.711 3.648 30 20 CHED C=CCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(C)(C)C 598865501 FNZNJBQVQCBQON-UHFFFAOYSA-N 290.363 3.584 30 20 CHED Cc1nn(C)c(Cl)c1C=NNc1cccc2ccccc12 747060427 QTDIHACZUCGRKK-UHFFFAOYSA-N 298.777 3.981 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccsc1 749104496 LZLBYXYQPIEYEU-PLNGDYQASA-N 258.342 3.961 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1nc(Cl)c(C#N)s1 843591226 PMXKLWBAABJFNT-JGVFFNPUSA-N 297.811 3.679 30 20 CHED CC[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 744137404 OPXHHAAEVMNSPU-OAHLLOKOSA-N 294.402 3.501 30 20 CHED c1ccc2c(NN=C3CCn4cccc43)cccc2c1 747060225 LOORBEHQGCODPR-UHFFFAOYSA-N 261.328 3.861 30 20 CHED N#Cc1ccccc1-c1cccc(CO[C@@H]2CCOC2)c1 593951554 DWVSGUSFDLXVLY-QGZVFWFLSA-N 279.339 3.531 30 20 CHED O=C(C#Cc1ccccc1)Nc1ccc2ccccc2c1 747349159 ZKSRBHSPGZDNEK-UHFFFAOYSA-N 271.319 3.830 30 20 CHED C=C[C@@H](C)NC[C@H](C)c1ccc(C(F)(F)F)cc1 685425284 KAQFBCINVAGLAY-WDEREUQCSA-N 257.299 3.973 30 20 CHED CCC/C(C)=C\C(=O)N[C@@H](CCC#N)c1ccccc1 749045995 RZESPMBPKKITJB-FIPLFPIMSA-N 270.376 3.894 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N(CC#N)C2CCCC2)cc1C 597276773 QIKANLHDJCRALB-ZWKOTPCHSA-N 296.414 3.702 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCc3c(F)ccc(F)c32)cc1 594713519 ZYNIHPKILSPVGS-QGZVFWFLSA-N 298.336 3.656 30 20 CHED CN(c1ccccc1)[C@H]1CCN(CCCC(C)(C)C#N)C1 595825233 DEQRAUCVADWIHD-KRWDZBQOSA-N 285.435 3.527 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CCC#N)CC(C)C 747825825 HNJXFUZVUXOSON-KGLIPLIRSA-N 290.432 3.558 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCOCC(F)(F)F 912782204 BDCHHRHZQRTKDR-OCKHKDLRSA-N 297.276 3.543 30 20 CHED CCOc1cc(/C=C2/Oc3ccccc3C2=O)ccc1OC 742435708 CTGSERRZBPGDJC-GZTJUZNOSA-N 296.322 3.710 30 20 CHED C=CCN(C(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)C 915153046 BBKCGFSOXJXSER-GVDBMIGSSA-N 295.467 3.887 30 20 CHED N#CC1(CON=Cc2ccccc2C(F)(F)F)CCC1 842016444 VRKZUYJCTBUDPO-UHFFFAOYSA-N 282.265 3.750 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCOc2ccc(OCC)cc21 681400304 YNOVKVJUDGNUSX-XJKSGUPXSA-N 275.392 3.853 30 20 CHED N#Cc1cc(F)ccc1-c1cccc(CO[C@H]2CCOC2)c1 596637181 SOWVIGVNMRZACF-KRWDZBQOSA-N 297.329 3.670 30 20 CHED Oc1ccc2ccccc2c1/C=N\[C@H]1CC12CCOCC2 840709470 MXIOIEPTQCSHAT-LSPINASFSA-N 281.355 3.533 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 845320715 QAIHVMZHIGKUTD-SOLBZPMBSA-N 294.398 3.844 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N=c1cc(C)[nH]c2ccccc12 685540595 GHKJDTMHVNKCRS-CQSZACIVSA-N 295.386 3.538 30 20 CHED N#CC1(CCOC(=O)c2cc(O)ccc2F)CCCCC1 840579039 DEGTYFPEKCEFNJ-UHFFFAOYSA-N 291.322 3.552 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1 748442460 RXSIOOYVFJYTDI-MDWZMJQESA-N 290.366 3.910 30 20 CHED Cc1cc(N(C)C)ccc1N[C@H](C)CC(C)(C)C#N 925720374 GYCCWPAZKUMMKV-CYBMUJFWSA-N 259.397 3.801 30 20 CHED C=C1CC(c2noc([C@]3(c4ccccc4)CCCO3)n2)C1 924122707 SOOBQGNMGQAANP-QGZVFWFLSA-N 282.343 3.557 30 20 CHED CC(CCc1cccc(F)c1)=NNc1cc(C)nc(C)n1 920374307 XYIAPPZBKRRUAY-UHFFFAOYSA-N 286.354 3.653 30 20 CHED CN(CCCCC1(C#N)CCC1)CCC1CCOCC1 929825521 JFJFJKQRCNNWQC-UHFFFAOYSA-N 278.440 3.599 30 20 CHED CCn1nccc1/C=C\C(=O)c1c(C)[nH]c2ccccc12 753712378 RNPNPKDFTACIDV-HJWRWDBZSA-N 279.343 3.589 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCCC(F)(F)F 851208609 ZSUVCIGNEQLXED-SECBINFHSA-N 265.275 3.591 30 20 CHED CCCC[C@@H](CC)CNC=C1C(=O)CC(C)(C)CC1=O 920975989 BDHRJEUOTKURSL-CYBMUJFWSA-N 279.424 3.635 30 20 CHED C#C[C@H](CC)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F 754390693 ZFCJMEKUSZORDL-NWDGAFQWSA-N 297.320 3.727 30 20 CHED C=CC(C)(C)C(=O)OCc1cscc1Br 851455738 HKRSKATWGCRSIE-UHFFFAOYSA-N 289.194 3.766 30 20 CHED Fc1cccc(NN=Cc2csc(C3CC3)n2)c1 920385923 LBJQECDSDICIJN-UHFFFAOYSA-N 261.325 3.606 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCO[C@@H](c2ccccc2)C1 682360125 KNLPEZVKQLBYNV-SJLPKXTDSA-N 287.403 3.579 30 20 CHED C=C(C)CN(CC)C(=O)/C=C\c1cccc(OCC)c1 858419448 MDAFAPRWCCXQPS-KHPPLWFESA-N 273.376 3.523 30 20 CHED c1cc(CCNN=C2CCC(=C3CCC3)CC2)ccn1 853343099 WSZAEELMRPWOEH-UHFFFAOYSA-N 269.392 3.624 30 20 CHED C=CCC1(NC[C@H](O)c2ccccc2F)CCCCC1 859746879 YHUMYHVNQHHFMH-INIZCTEOSA-N 277.383 3.728 30 20 CHED C(=NOC1CCCCC1)c1ccc(O[C@@H]2CCOC2)cc1 853335638 YQZZVZKXUDRQCC-QGZVFWFLSA-N 289.375 3.538 30 20 CHED CCC[C@@H](C)C(CC)=NN=c1cc[nH]cc1Cl 756842011 IARRCSCDKVDXIX-SNVBAGLBSA-N 253.777 3.771 30 20 CHED Cc1cccc(C(=O)OCc2ccccc2C#N)c1Cl 754978883 PLPYMAOTSAZXJZ-UHFFFAOYSA-N 285.730 3.877 30 20 CHED C#C[C@](C)(CC)NC(=O)c1ccc(CCC(F)(F)F)cc1 854698751 GMUXEAVXDPXNDA-OAHLLOKOSA-N 297.320 3.713 30 20 CHED C#CCC(C)(C)COC(=O)CC[C@@H]1CC1(Cl)Cl 850930387 AIICYOODLDKKCD-SNVBAGLBSA-N 277.191 3.553 30 20 CHED C#CCOc1ccc(CN(Cc2cccs2)C2CC2)cc1 768252724 NKXGAWRRRMNZOU-UHFFFAOYSA-N 297.423 3.925 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)OCc1cccc(C#N)c1F 769179464 UQQOQOGUPWKDOK-VXGBXAGGSA-N 275.323 3.567 30 20 CHED CC(=O)Nc1cccc(/C=C\C(=O)C2CCCCC2)c1 865216416 FUILNPKBUPBXHZ-KHPPLWFESA-N 271.360 3.808 30 20 CHED Cc1cc(NC(=O)CSCC#N)ccc1-c1ccccc1 762509811 BNOUHIJYFHQMCU-UHFFFAOYSA-N 296.395 3.857 30 20 CHED C=C[C@H](CC)CC(=O)N(C)C1CCC(F)(F)CC1 936002585 OFBJNOOGZOLDFM-LLVKDONJSA-N 259.340 3.625 30 20 CHED C=C1CCN(C(=O)Nc2cc(F)c(SC)c(F)c2)CC1 930792348 PRLPBFIVIHECAK-UHFFFAOYSA-N 298.358 3.871 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Cl)c2occc12 931297600 ZGGNIFCKYPKJKH-OAHLLOKOSA-N 290.750 3.754 30 20 CHED C#CCCOc1ccc(CN(C)[C@H](C)CCSC)cc1 769464261 YDESPDSNCMRZKH-OAHLLOKOSA-N 291.460 3.662 30 20 CHED CC1(C)CCCC(=NNc2nc(O)c3ccccc3n2)C1 767793069 UQJWRCVKMZKSAR-UHFFFAOYSA-N 284.363 3.704 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(CC)cc1OC 761839522 MTASUPAKTGGSHV-UHFFFAOYSA-N 274.360 3.931 30 20 CHED Cc1ccc(C(=O)OC2CCC(F)(F)CC2)cc1C#N 860973184 PRZCAZVNYNXLSI-UHFFFAOYSA-N 279.286 3.601 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)Cc1ccccc1Cl 1116639467 XODWYPALNGBQDM-AAEUAGOBSA-N 250.773 3.553 30 20 CHED CCCCCCCC(=O)Nc1cccc(O)c1F 762316555 MBZAETJMYHQFTM-UHFFFAOYSA-N 253.317 3.830 30 20 CHED C[C@@H](OC(=O)c1cccc2ccsc12)C(C)(C)C#N 768003879 RMOQQLGLAFQFOD-SNVBAGLBSA-N 273.357 3.996 30 20 CHED C=C(C)[C@H](NCC(=O)OCCCC)c1ccc(F)c(F)c1 775725032 SCHVMUXOLJGLMZ-INIZCTEOSA-N 297.345 3.515 30 20 CHED N#CCCCOc1cccc(/C=C\C(=O)c2cscn2)c1 776191174 FSOXPFLHGLRMIG-SREVYHEPSA-N 298.367 3.722 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccc(O)cc1 779358869 YEGRGELAGMKUBR-CLTKARDFSA-N 294.137 3.990 30 20 CHED C=CCOc1cccnc1C(=O)O[C@H](C)c1ccccc1C 775258321 XGIMIQASBYTIOV-CQSZACIVSA-N 297.354 3.873 30 20 CHED Cc1nn(C)cc1CSCc1ccc(Cl)cc1C#N 1117975499 ONZFHHHQIMVAKI-UHFFFAOYSA-N 291.807 3.687 30 20 CHED Cc1cccc(O)c1CN[C@@H]1CCCc2cc(C#N)ccc21 877594607 WKZUVIGJFKGNSA-GOSISDBHSA-N 292.382 3.740 30 20 CHED C=CCN(CCc1ccco1)Cc1ncc(C(C)C)o1 778995545 BKRNAGGRMBAQHO-UHFFFAOYSA-N 274.364 3.622 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cnc(Cl)c(C)c1 776193375 XNGLTMVBXZYEID-PLNGDYQASA-N 286.762 3.897 30 20 CHED CC(C)(C#N)CCOC(=O)CCCc1cccs1 776365680 SINQZLMIJRSICH-UHFFFAOYSA-N 265.378 3.554 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2cc(C)cc(C)c2)c1 774138725 MXZZZEVIWZYETN-PLNGDYQASA-N 284.311 3.579 30 20 CHED C=C(CC)CON=Cc1cccc(OCc2ccncc2)c1 773185226 SJDPZHLCHSMMAC-UHFFFAOYSA-N 296.370 3.977 30 20 CHED Cc1ccc(C)c(C2CCN(C(=O)CCCC#N)CC2)c1 1120098981 SNLPBPBKWNDGGJ-UHFFFAOYSA-N 284.403 3.703 30 20 CHED C#CC[C@H](N[C@H](C)CCc1ccco1)c1ccccc1 773105655 IILOHUBQWIRXAE-QAPCUYQASA-N 267.372 3.955 30 20 CHED CC1CCC(CN2CCO[C@H](c3cccc(C#N)c3)C2)CC1 770393636 ZMEPWWNTYHJFTP-RJYAGPCLSA-N 298.430 3.758 30 20 CHED C#CCCCCCC(=O)Nc1ccc2ccn(C)c2c1 779860803 IUCZCDVMSNRZFD-UHFFFAOYSA-N 268.360 3.701 30 20 CHED C=C(C)CCOC(=O)C1(CCOCc2ccccc2)CC1 770885347 XHNQGPLSTZZARE-UHFFFAOYSA-N 288.387 3.883 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cnccc1C(F)(F)F 880966155 OCMMDWXHORQFIS-SECBINFHSA-N 287.285 3.577 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCc1cccc(F)c1F 775084769 RTJPJXBPWYUXDV-HJWRWDBZSA-N 299.276 3.593 30 20 CHED CC(=NNc1ccccc1OC(F)(F)F)c1ccccn1 777453155 MBPUCKCQLBKJNQ-UHFFFAOYSA-N 295.264 3.816 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 774043397 GEQIGVCNOBSUKP-MJEQTWJJSA-N 271.360 3.845 30 20 CHED C=CCC[C@H](C(=O)N1C[C@H]2C=C[C@H]1C2)c1ccccc1 882424214 GEFZUWHMVAIXND-XIRDDKMYSA-N 267.372 3.523 30 20 CHED CC(C)(C)CC(=NNc1ncncc1Cl)C1CC1 787163495 VOJYUCOAPPYTNS-UHFFFAOYSA-N 266.776 3.744 30 20 CHED C=CC[C@@H](NC(=O)NCC(C)(C)C(C)C)c1ccncc1 782972259 VBOKBFGRDQYSLN-OAHLLOKOSA-N 289.423 3.680 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc(-c2noc(C)n2)cc1 887765809 HXSAUNGAZQYGFU-UHFFFAOYSA-N 286.331 3.553 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1csc(Cl)c1 787147011 APBFKMPSBWRBET-UHFFFAOYSA-N 287.175 3.681 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2ccccc2O[C@H](C)C#N)CCO1 780745540 QFXLARBIZRZMEN-KEYYUXOJSA-N 288.391 3.593 30 20 CHED CCOCCC1(C(=O)OCCCC(C)(C)C#N)CCCC1 784168701 YTMOSTKGYBHICF-UHFFFAOYSA-N 295.423 3.847 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@H](C(F)(F)F)C2)n1 783510792 DBWBPAFBIUMOFU-JTQLQIEISA-N 286.301 3.614 30 20 CHED COC(=O)c1cccc(NN=C[C@H]2CCCC[C@@H]2C)c1 783866912 LWBZAZOUZBCQJM-GXTWGEPZSA-N 274.364 3.697 30 20 CHED Cc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)cnc1F 891623544 PQOSPKGHTGLKOL-UHFFFAOYSA-N 297.377 3.811 30 20 CHED C=C[C@](C)(CC)c1nc([C@@H](C)OCC(F)(F)F)no1 896611064 MBHNELMLQCMCSR-LDYMZIIASA-N 278.274 3.563 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1cnn(C(C)(C)C)c1C 782299683 IFSGQJSKGQXROL-OAHLLOKOSA-N 290.455 3.839 30 20 CHED CC(=NNc1nc2ccccc2s1)[C@@]1(C)CCCO1 782099261 ZDXGNGLXUROKOW-CQSZACIVSA-N 275.377 3.653 30 20 CHED CC(C)c1ccc(C=NN[C@@H]2CCOC(C)(C)C2)cc1 780250256 LNSBIZVHSYKQEU-MRXNPFEDSA-N 274.408 3.691 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)NCc1ccc(C#N)cn1 782730047 BRAPLEGMFHRWHR-MRXNPFEDSA-N 299.418 3.566 30 20 CHED C=C1CCC(c2nc(-c3nc(C)cs3)no2)CC1 896087147 BZHNYIWHDYQAKH-UHFFFAOYSA-N 261.350 3.715 30 20 CHED Clc1ccsc1C=NNCCCc1ccccc1 782231254 PHKFNCNVSUTDIR-UHFFFAOYSA-N 278.808 3.958 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC[C@H]2CCF)cc1 794855815 AJBFQFIOZDWPOF-JTQLQIEISA-N 265.288 3.522 30 20 CHED Cn1cc(/C=C2/CCc3ccc(F)cc3C2=O)c(C2CC2)n1 899366076 HYSZARIFBCZQMG-JYRVWZFOSA-N 296.345 3.649 30 20 CHED C/C(C=NNCc1ccccc1N(C)C)=C\c1ccccc1 794956066 LWEHMNVJDOGIJZ-NBBYIAQWSA-N 293.414 3.932 30 20 CHED N#Cc1ccc(N[C@@H](CCO)C2CCCCC2)cc1Cl 301520650 FMSGITHKZSNGIS-INIZCTEOSA-N 292.810 3.955 30 20 CHED CC[C@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 79054629 AUOUTHGTZCQPCL-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED C=CCC[C@H](NC[C@H](O)c1cccc(C)c1)c1ccco1 796835073 KAYBBXRODONQTG-IRXDYDNUSA-N 285.387 3.919 30 20 CHED Oc1ccccc1/C=N\C[C@@H]1CCC2(CCCCC2)O1 790099937 RYHMPVTVEIJJFI-BRYHAGSVSA-N 273.376 3.693 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)C1CCCCC1 798038003 RPOFFHPOOQZORY-HOCLYGCPSA-N 293.451 3.690 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)CC1CCCC1 195736684 UZXLKLNNNIMSJC-UHFFFAOYSA-N 256.393 3.959 30 20 CHED CC(CCC1CCCCC1)=NNc1ncncc1F 793210796 DQAOWSPBRPFJLW-UHFFFAOYSA-N 264.348 3.764 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ncccc1F)CCO2 794980299 IHMQVWMHJOCFBO-UHFFFAOYSA-N 299.349 3.943 30 20 CHED O=C(O)c1ccccc1NN=C1CCC[C@H]1c1ccccn1 794887183 HDSRHMSBLXZXLI-LBPRGKRZSA-N 295.342 3.515 30 20 CHED CCCN(CC#N)C(=O)C[C@H](C)CCC=C(C)C 574812543 VWMMOOGZGGDUMF-CQSZACIVSA-N 250.386 3.521 30 20 CHED Cc1ccc(F)c(NN=Cc2cn(C(C)C)nc2C)c1 799112124 ZUXPPENADUTNOJ-UHFFFAOYSA-N 274.343 3.666 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(F)c1 94195738 DFZYBQZUOAOHTJ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCN(C(=O)/C=C\c1ccccc1C#N)c1ccccc1 1318272132 WIWPEERSPOUYCJ-SEYXRHQNSA-N 288.350 3.791 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)Nc1sccc1C#N 1310956362 IOVKBZXPLSSESA-SNVBAGLBSA-N 279.409 3.956 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cc(O)ccc1O 1317671110 GULRIQNHESVXRS-UHFFFAOYSA-N 290.750 3.896 30 20 CHED C[C@H]1CCCCN(c2c(Br)cccc2C#N)C1 1612268723 FYBSWADEAZZWNF-NSHDSACASA-N 293.208 3.947 30 20 CHED C=C(C)CNc1nc(-c2ccc3c(c2)[C@H](C)C(=O)N3)cs1 1318251914 UZKCRIMOGJRMKO-JTQLQIEISA-N 299.399 3.854 30 20 CHED CC(C)(CCNC(=O)Nc1ccc(C#N)cc1)C1CC1 1622712231 XKTRORFBGHOPBJ-UHFFFAOYSA-N 271.364 3.506 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)nn1)[C@H]1C[C@@H]1C 1327462017 XFZOMADZSMAWJX-QWRGUYRKSA-N 260.385 3.608 30 20 CHED C=C(C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 1336946042 NCLVPYVNXFGQDQ-UHFFFAOYSA-N 283.375 3.784 30 20 CHED CC(C)[C@@H]1CC(=NNCC2CCOCC2)c2ccccc21 1339128464 UMSBHFLMISQUID-KRWDZBQOSA-N 286.419 3.550 30 20 CHED COc1ccccc1C1(NCc2ccc(C#N)s2)CCC1 1337282232 SEXPGTWKBALJMV-UHFFFAOYSA-N 298.411 3.797 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1F 1337549884 FSFYGWVIWAXNAD-JTQLQIEISA-N 283.293 3.675 30 20 CHED N#Cc1cc(F)cc(NC(=O)NC2CCCCCC2)c1 1191268355 KJEOATDRHNMMIU-UHFFFAOYSA-N 275.327 3.542 30 20 CHED C[C@H](Nc1cccc(CC#N)n1)c1cc(F)ccc1N(C)C 1340160152 SGIXQOOOSCWQIF-LBPRGKRZSA-N 298.365 3.526 30 20 CHED C=C(C)CCC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 1347129473 ROOKHDBMXGRAOE-WKILWMFISA-N 287.403 3.756 30 20 CHED C=C(CC)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1347031132 KGNOFBDZDQRDPJ-IAGOWNOFSA-N 267.372 3.800 30 20 CHED C=C(C)CCC(=O)N(C)[C@H]1CCCc2nc(CC)sc21 1354481380 OHNCIDDVSBADLM-ZDUSSCGKSA-N 292.448 3.898 30 20 CHED N#Cc1ccc(-c2csc(N3CCCCC3)n2)cc1 105651454 CMYAHUKSKZMJNO-UHFFFAOYSA-N 269.373 3.672 30 20 CHED COc1ccc2cc(C(=O)OCC3(CC#N)CC3)ccc2c1 1357568954 UCEKFJSWOORPHA-UHFFFAOYSA-N 295.338 3.699 30 20 CHED CC(C)CN1Cc2cccc(NC(=O)CC(C)(C)C#N)c2C1 1446632391 FNTIZQKILSVPKC-UHFFFAOYSA-N 299.418 3.537 30 20 CHED N#Cc1cncc(N2C[C@H](c3ccccc3)c3ccccc32)n1 1458349931 VBHKVCCDPWXBAV-QGZVFWFLSA-N 298.349 3.632 30 20 CHED CCc1ccccc1NC(=O)[C@@H](CC#N)c1ccccc1 1522422217 KCCJWGMVEXCPIF-INIZCTEOSA-N 278.355 3.885 30 20 CHED CC(C)[C@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 112675893 OHJDFOAJDBOORO-SJORKVTESA-N 256.393 3.863 30 20 CHED N#CCc1cccc(NC(=O)c2nsc3ccccc23)c1 1521754598 NZCZCEBCIVHJRD-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C=C(CNC(=O)c1sc(C)cc1C)c1ccccc1 1527981919 VSEKQWIHZTUSHI-UHFFFAOYSA-N 271.385 3.808 30 20 CHED CCc1ccc([C@@H]2CCN(c3cc(C)c(C#N)cn3)C2)cc1 1458407347 MFNIDWZXMXMCGV-QGZVFWFLSA-N 291.398 3.818 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N2CCCc3cc(C#N)ccc32)C[C@H]1C 1460302414 KTNCKPZSHDKWCX-CKEIUWERSA-N 296.414 3.910 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1cc(C#N)c(F)cc1F 1462285162 PRSHCFDXLUOLEK-ZJUUUORDSA-N 278.302 3.601 30 20 CHED COc1cccc([C@H](C)Nc2ccc(C#N)cc2)c1 19951171 QPXDRDGXBHODFM-LBPRGKRZSA-N 252.317 3.740 30 20 CHED CCN(C(=O)c1cccc(Oc2ccccc2)c1)[C@H](C)C#N 1533560337 MRQDNPAVJYLGQL-CQSZACIVSA-N 294.354 3.853 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc(C#N)n1 1462031263 NNQNHFSYEOOCSJ-UHFFFAOYSA-N 293.414 3.883 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C2(C3CCCCC3)CC2)C1 1535479539 TZCLZGSQPMDSKJ-ZFWWWQNUSA-N 275.392 3.972 30 20 CHED CCCCCCCCCc1nc([C@H]2CCCN2)no1 115065746 MISSBWUDECQGGB-CYBMUJFWSA-N 265.401 3.787 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1538757866 VDBAAEVUQZGQOY-KLHDSHLOSA-N 276.424 3.744 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cccc3c2CCCC3)c1 1535374628 CULHMMADNACBPZ-UHFFFAOYSA-N 294.329 3.828 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C 1538683899 IZCFSANFAVSJQA-PVXIVEMSSA-N 271.360 3.848 30 20 CHED CC[C@H](NC(=O)[C@H](CC#N)c1ccccc1)[C@@H]1CC1(C)C 1536675088 JLCKMQZHLXSOKN-PMPSAXMXSA-N 284.403 3.625 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)C1(C#N)CCCCC1 1544683542 AHCJKJMYVYLVIW-GJZGRUSLSA-N 276.424 3.793 30 20 CHED C[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1Br 1611725240 XESDPWLBIDKMMO-BXKDBHETSA-N 294.196 3.706 30 20 CHED CCO[C@H]1C[C@H](Nc2nc(C)ccc2C#N)C1(CC)CC 1559121041 LADIMJFILSHJNA-GJZGRUSLSA-N 287.407 3.657 30 20 CHED CC1(C)CCCC[C@@H]1NCc1cccc(C#N)c1F 229594909 VHLLASWGJZAKQZ-AWEZNQCLSA-N 260.356 3.756 30 20 CHED CCc1ccccc1CCOc1ccc(C#N)c(OC)c1 1643890619 LKQBZVPXPYSXLR-UHFFFAOYSA-N 281.355 3.751 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@@H]1Cc2ccccc21 1584892391 MFWPODXPVUKPIR-GOSISDBHSA-N 298.345 3.990 30 20 CHED C=CC[C@@H]1N(C[C@H]2CCCC[C@H]2C(=O)O)CCCC1(C)C 1588773866 LQJBIKCAWJYIFH-OAGGEKHMSA-N 293.451 3.944 30 20 CHED CCc1ccccc1CCN1CCc2c(C#N)cccc21 1654793648 UBWWJFYLAFOZFG-UHFFFAOYSA-N 276.383 3.726 30 20 CHED CC1(C)CCN(C(=O)c2ccc(C#N)cc2)CC(C)(C)C1 1587076474 BUNDWQFJLRXHMN-UHFFFAOYSA-N 284.403 3.847 30 20 CHED C=C(CCC(=O)O)C(=O)N[C@@H](CCCCC)C(C)(C)C 1588622286 TXECRBGDHLGFDG-ZDUSSCGKSA-N 283.412 3.519 30 20 CHED CC[C@H]1CN(C[C@H](C)CCC#N)c2ccccc2O1 1664398845 WZYAXBPAGCJZHT-KGLIPLIRSA-N 258.365 3.604 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(F)cc(C#N)c1 1672407217 UPRGYKBPHZBKDY-SWLSCSKDSA-N 289.354 3.788 30 20 CHED C=CCOC(=O)CCCc1ccc(Br)s1 124010073 XDOBTSJHYZPNNA-UHFFFAOYSA-N 289.194 3.563 30 20 CHED CCC[C@@H](NC(=O)Nc1ccnc(C#N)c1)c1ccccc1 1673981172 WOWJTKIWNBDGIY-MRXNPFEDSA-N 294.358 3.616 30 20 CHED CCc1ccc(CN(C)C(=O)Nc2sccc2C#N)cc1 1678963367 VDRVGQSDQLTYTH-UHFFFAOYSA-N 299.399 3.846 30 20 CHED CC(C)c1cc(O)cc(C=NNc2ccccc2C(=O)O)c1 1776031367 CKQVFMAODKDSPR-UHFFFAOYSA-N 298.342 3.660 30 20 CHED C=C(CNC(=O)N1[C@@H](C)CCC1(C)C)c1ccccc1 1682946309 YGRQXKPTIHZEKX-AWEZNQCLSA-N 272.392 3.672 30 20 CHED CC(=O)c1ccc(C)cc1OCc1ccc(C#N)cc1F 11051220 PVZBVRKIXIUJOT-UHFFFAOYSA-N 283.302 3.787 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1nc2ccccc2n1C 150744849 RUAXRLRVVGLUJS-ZDUSSCGKSA-N 297.402 3.519 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCc3ccc(F)cc32)n1 161325454 LNUBHMPNSBVUPO-HNNXBMFYSA-N 267.307 3.500 30 20 CHED Cc1cc(F)ccc1COc1cccc(F)c1C#N 167985906 KPBOCHSFEUQDIA-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1 152216134 RMPFHPLTEMSJKL-UHFFFAOYSA-N 297.358 3.772 30 20 CHED C#CCCCCNC(=O)N1CCCCC[C@@H]1c1ccncc1 155116656 KAVSFRNDEWWITE-QGZVFWFLSA-N 299.418 3.512 30 20 CHED N#Cc1cc(NCCc2ccncc2)ccc1C(F)(F)F 157919235 VHBQNEWKCXKDPG-UHFFFAOYSA-N 291.276 3.627 30 20 CHED N#CCN(CCSc1ccccc1F)C1CCCC1 156718378 NMPWVJUKNCXXJU-UHFFFAOYSA-N 278.396 3.686 30 20 CHED CC(C)(C)OC1CC(N[C@@H](CCC#N)c2ccccc2)C1 156764895 XQULTLRYTZSESV-JCYILVPMSA-N 286.419 3.967 30 20 CHED COc1ccc(CN(C)Cc2cc(F)ccc2C#N)cc1C 159754381 HNDNMFQTMWBEAK-UHFFFAOYSA-N 298.361 3.646 30 20 CHED N#Cc1ccc(NCCCOCC(F)(F)F)cc1Cl 49312289 XCTUPEWBJASAGK-UHFFFAOYSA-N 292.688 3.593 30 20 CHED C#CCCCCC(=O)N[C@@H](CCC)c1ccccc1 179684043 JUXVDZJVJKRUEV-INIZCTEOSA-N 257.377 3.838 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N(Cc1ccccc1)C1CC1 301289674 SSKSBHNKWHBARL-UHFFFAOYSA-N 293.326 3.635 30 20 CHED C=CCCCN[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 309872435 RXGVDPYEOAXSIZ-GJZGRUSLSA-N 296.455 3.578 30 20 CHED C#CCCCCNCc1c(F)ccc(F)c1Cl 705591963 SAQKOUIDDOROLW-UHFFFAOYSA-N 257.711 3.511 30 20 CHED CCSc1cccc(CNCc2ccc(C#N)cc2)c1 349656119 OUWQJYDHETVKAA-UHFFFAOYSA-N 282.412 3.960 30 20 CHED C[C@H](SCc1ccccc1)C(=O)Nc1ccc(C#N)cc1 4836568 YAWSVWOYFQYCJE-ZDUSSCGKSA-N 296.395 3.819 30 20 CHED N#Cc1ccc(F)c(CN2CCS[C@@H]3CCCC[C@H]32)c1 246189837 VHUFTNAYOUCWDK-HZPDHXFCSA-N 290.407 3.557 30 20 CHED CCCCCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 106419184 GZPWUHKXASXGJD-CYBMUJFWSA-N 264.756 3.601 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 105461115 JCBIPBCALQUIIS-UONOGXRCSA-N 296.370 3.534 30 20 CHED CC(C)Oc1ccc(C(=O)/C=C/c2cccnc2)cc1 57435384 SQLNAGYQRBZZFB-BJMVGYQFSA-N 267.328 3.765 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Sc1ccccc1Cl 116851965 YRYRUYXSRMUNLV-QWRGUYRKSA-N 283.824 3.901 30 20 CHED N#C[C@@H](NC(=O)CCC1CCC1)c1ccccc1Cl 176680268 MTPKYLYLHKYYIC-CQSZACIVSA-N 276.767 3.601 30 20 CHED C=CC[C@@H](C)NC(=O)c1cnc(-c2ccsc2)s1 116858773 LHHIKFZFFFQYQZ-SECBINFHSA-N 278.402 3.566 30 20 CHED N#Cc1ccccc1SCc1cccc2c1OCCO2 173714615 NQMOLXATISSBMA-UHFFFAOYSA-N 283.352 3.622 30 20 CHED CCCC[C@H](CC)C(=O)N(CCC#N)CC(C)(C)C 463765577 BPQIYBNCHATVKE-AWEZNQCLSA-N 266.429 3.991 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1OCCC 104980417 FGUDOTFBENXBPX-UHFFFAOYSA-N 276.380 3.905 30 20 CHED CC(=O)c1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1 118443120 KZJHCTLVFNAKJC-LBPRGKRZSA-N 264.328 3.934 30 20 CHED C#CCCCCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 119553781 XKTHWHCNXJQGDU-KRWDZBQOSA-N 297.402 3.570 30 20 CHED C[C@H]1CCC[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301430719 VJSRUBXVNRQEPC-IINYFYTJSA-N 296.330 3.615 30 20 CHED N#Cc1cc(N[C@@H]2C=CCCC2)nc2ccc([N+](=O)[O-])cc12 301622666 OCSKNNWMXYEHBI-GFCCVEGCSA-N 294.314 3.535 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c(C)o1 172029972 NVKPXHQSRORQSN-AWEZNQCLSA-N 288.734 3.545 30 20 CHED C=CCCCS[C@H](C)C(=O)N(C)c1ccccc1 117943590 OAUUPXYDMHJADB-CYBMUJFWSA-N 263.406 3.737 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1 65771580 VWVBMSCIKJKPEA-UHFFFAOYSA-N 292.338 3.599 30 20 CHED Cc1ccccc1-c1nc(C(=O)OCCCC#N)cs1 171227461 NLOQDNUNQFSXTA-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C#CC[C@H](OC(=O)c1ccc2ccc(Cl)cc2n1)C1CC1 176606859 DDDQBGIQQXORFX-INIZCTEOSA-N 299.757 3.847 30 20 CHED Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)co1 187830969 LUSCGYCUXJENNZ-UHFFFAOYSA-N 286.356 3.652 30 20 CHED CCC(=O)c1ccc(OCCOc2ccccc2C#N)cc1 60802150 RVYDHZMMKWPMBA-UHFFFAOYSA-N 295.338 3.609 30 20 CHED N#Cc1ccnc(NCCCCC2CCCC2)c1[N+](=O)[O-] 301632624 DCRHXWYLGPWZAO-UHFFFAOYSA-N 288.351 3.634 30 20 CHED C[C@H](C#N)CN(C)[C@H](C)c1ccc(F)c(Cl)c1 64797322 XDNCMPVLSXSCKH-NXEZZACHSA-N 254.736 3.632 30 20 CHED C[C@@H]1CC(C(=O)N(CC#N)c2ccccc2)C[C@@H](C)C1 183550232 WKMJRZNRTRFWKA-KBPBESRZSA-N 270.376 3.615 30 20 CHED C[C@H]1CCCCCN1c1ccc(C(F)(F)F)c(C#N)n1 409713932 DRSRVBALDQPMDH-JTQLQIEISA-N 283.297 3.741 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)N1CCCc2cc(C#N)ccc21 411003595 UGYAXUWTCVDRRU-DZGCQCFKSA-N 282.387 3.664 30 20 CHED CCOCc1ccccc1CNc1c(C#N)cccc1C#N 302868498 ZZRQVBCVPASWLH-UHFFFAOYSA-N 291.354 3.579 30 20 CHED C[C@H](NC(=O)N(C)C1CCCCC1)c1cccc(C#N)c1 74916840 ZQKDABGYUHARQC-ZDUSSCGKSA-N 285.391 3.593 30 20 CHED C=CCc1ccc(OC(=O)[C@@H](C)OCCCC)c(OC)c1 123929404 HUZWNDRCLPMSMY-CYBMUJFWSA-N 292.375 3.534 30 20 CHED N#CC1(C(=O)Nc2ncc(Cl)cc2Cl)CCCCC1 602233526 LCHSURYBRGJPAN-UHFFFAOYSA-N 298.173 3.801 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(c1ccc(C#N)nc1)CC2 302038433 GTRRFPBQOFEPJS-UHFFFAOYSA-N 291.398 3.813 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CCc1ccccc1 122873752 WEJVOYSBQSSMTI-HNNXBMFYSA-N 264.372 3.794 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc(F)c(F)c1 186053585 DEXVDTRRWCMRGK-IOASZLSFSA-N 291.341 3.744 30 20 CHED C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(C#N)cc1 35255682 ANIMUIUSOPWRMP-JTQLQIEISA-N 285.278 3.779 30 20 CHED C=C(C)COc1cccc(NCc2cnccc2N(C)C)c1 185218386 KHDDYHFJSZTQNE-UHFFFAOYSA-N 297.402 3.715 30 20 CHED C#C[C@H](C)NC(=O)N1CCC[C@H]1c1cccc2ccccc12 186013434 HCYFGUHKBPLERX-KSSFIOAISA-N 292.382 3.708 30 20 CHED C=C(Br)CN(C1CC1)[C@H](C)c1ccco1 127792657 UKRDMRTTZUCJHW-SNVBAGLBSA-N 270.170 3.714 30 20 CHED CCS[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 185851825 UTAHLPOEMCFBIR-LJISPDSOSA-N 266.454 3.723 30 20 CHED CC(C)(C#N)OC(=O)CSc1ccc2ccccc2c1 181845272 MAHWIVBQESGNAP-UHFFFAOYSA-N 285.368 3.777 30 20 CHED CCCc1cnc(NCc2cc(C#N)cs2)s1 185977553 NSDMCLQRRNSEOG-UHFFFAOYSA-N 263.391 3.641 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCC(C)(C)C1 358891924 AKKWXIMNDPFLST-ZDUSSCGKSA-N 256.349 3.632 30 20 CHED Cc1occc1CN[C@@H](CCC#N)c1ccccc1 414363165 VEFUHGOJMUFUMV-INIZCTEOSA-N 254.333 3.723 30 20 CHED C=CCCN[C@H](C)c1ccc(Br)cc1 70592000 KWTGLORYOAWSJO-SNVBAGLBSA-N 254.171 3.676 30 20 CHED COc1ccc([C@H](C)N(C)Cc2cc(C#N)cs2)cc1 125837596 XSTRLZNUWJLCNY-LBPRGKRZSA-N 286.400 3.821 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CC1CCCC1 416112854 XUOYPXBUSGEYTG-KRWDZBQOSA-N 282.387 3.632 30 20 CHED CCCCCCCCCCNC(=O)C1(C#N)CCOCC1 128949691 CRFBGRQEZOCSGN-UHFFFAOYSA-N 294.439 3.564 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)CC 413823632 MVSYOCJKHXSZIE-ZBFHGGJFSA-N 274.408 3.614 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3OC[C@H]2C)CCCC1 410687536 KMPBLMYMAWHXRE-OAHLLOKOSA-N 299.414 3.933 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(Oc2ccccc2)o1 181834137 JGZYYYGIWXBJOG-UHFFFAOYSA-N 271.272 3.531 30 20 CHED CCN(CC)c1ccc(/C=N/C[C@@H]2CCCS2)c(O)c1 129342278 QNVNSPAEZBXOPE-VUVCFOEZSA-N 292.448 3.553 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1cccs1 35149993 IJCLENWBEGURLU-JTQLQIEISA-N 260.337 3.610 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(F)c(OC)cc1C 186795062 YCEXORPMPLIQQQ-UHFFFAOYSA-N 280.343 3.573 30 20 CHED C#CCCCCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 120342441 GBZWJQYKUDENEM-UHFFFAOYSA-N 295.386 3.583 30 20 CHED C=CCC[C@H](C(=O)N1CC=C(COC)CC1)c1ccccc1 188279336 MHVMFXVYOONGMN-SFHVURJKSA-N 299.414 3.542 30 20 CHED C#CCCCCC(=O)NC(C)(C)c1ccc(CC)cc1 120258038 MXNZJNGKCSCFHV-UHFFFAOYSA-N 271.404 3.794 30 20 CHED N#CCOc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 180559198 ZELJEAVTCLNABZ-GOSISDBHSA-N 296.345 3.505 30 20 CHED Cc1ccccc1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416107405 OKVWALUXFXRGKP-GOSISDBHSA-N 290.366 3.674 30 20 CHED C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)[C@H](C)C#N)C1 410884997 UUBDHFCHPPKSST-BZUAXINKSA-N 294.439 3.513 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(OC)cc1 181040772 NWTFHQQYCUZRDX-LBPRGKRZSA-N 262.353 3.562 30 20 CHED CC#CCCCC(=O)N(C)[C@H](C)c1ccccc1F 185210287 ZKTPSLKCGAKUSF-CYBMUJFWSA-N 261.340 3.539 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N2CCc3ccc(C#N)cc32)C1 503351800 WWCVTJNBVOEWPY-VIKVFOODSA-N 282.387 3.520 30 20 CHED CCN(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C#N 181566847 JEUAPVQHVTTYMJ-VIFPVBQESA-N 257.164 3.727 30 20 CHED Cc1ccc(OC(F)F)c(CN[C@H]2CCC[C@H](C#N)C2)c1 185856676 RTQDXNQDMVXILV-JSGCOSHPSA-N 294.345 3.768 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc([C@H](C)C(=O)OC)c1 412543201 FCIDHCCDMJLKLW-SJCJKPOMSA-N 289.375 3.504 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(C)c2c[nH]nc2c1 501370516 BVZODXOQMMIACP-LBPRGKRZSA-N 286.379 3.738 30 20 CHED CCc1ncnc(N[C@@H]2CCCc3cc(C#N)ccc32)c1F 419012804 GGIIEYRPDRCNAN-OAHLLOKOSA-N 296.349 3.539 30 20 CHED Cc1cc(C(=O)OCC2(C#N)CCC2)c(C)n1C(C)C 183838539 CPYRTCWOZIIESM-UHFFFAOYSA-N 274.364 3.537 30 20 CHED C=C(Cl)CNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 134808422 UVMVUGZNOGUITD-PYCGDYPRSA-N 281.827 3.852 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc2c1CCCC2 410677978 VODLXOZAIWQHSK-GOSISDBHSA-N 284.403 3.624 30 20 CHED CSc1ccc(C(=O)/C=C/c2cncs2)cc1F 130094526 BUGBBBCJPWRBQA-ONEGZZNKSA-N 279.361 3.900 30 20 CHED C=C(C)COc1cc(CN(C)[C@@H](C)CC)ccc1OC 507157847 CILCIRFOBSZWQU-AWEZNQCLSA-N 277.408 3.880 30 20 CHED Cc1ncsc1N=C(O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 329601928 XTLQIOVQWIZNJS-PSASIEDQSA-N 280.393 3.681 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)NCC1(C#N)CCC1 419652329 UGSGHTWSQOOSEM-UHFFFAOYSA-N 299.418 3.548 30 20 CHED CC(C)[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 84072378 CSVSNVBEPKFBGA-HNNXBMFYSA-N 284.384 3.747 30 20 CHED C=CCC[C@@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)C1CC1 414314191 LCNPBROEQCFCHZ-SJORKVTESA-N 284.403 3.794 30 20 CHED COCc1ccc([C@@H]2CCCN2CCCC(C)(C)C#N)o1 130796423 VFWPMPFNIJUHRX-HNNXBMFYSA-N 290.407 3.893 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)C12CCC2 87709679 STXLCTGKZDSROH-RRQGHBQHSA-N 284.403 3.557 30 20 CHED N#Cc1ccc(N[C@H]2CCOc3c(Cl)cccc32)nc1 49322359 ULJREDFJZDIUSC-ZDUSSCGKSA-N 285.734 3.542 30 20 CHED C=C(C)CN(CC)C(=O)CC[C@H](C)c1ccccc1 137095418 SOHKONZPEZEZLY-HNNXBMFYSA-N 259.393 3.995 30 20 CHED N#Cc1cccc(OCCN(C#N)c2ccccc2Cl)c1 429782429 WEXQFWVWRANKNA-UHFFFAOYSA-N 297.745 3.578 30 20 CHED C=C(C)CSCC(=O)N[C@@H](c1ccccc1)C1CC1 193673650 PDWANLDQTJPZER-INIZCTEOSA-N 275.417 3.563 30 20 CHED OC(=Nc1nnc(C2CCOCC2)s1)C1CCCCC1 329280300 DOFDBRXEDCAMHW-UHFFFAOYSA-N 295.408 3.600 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(F)c2)cc1C#N 132410931 VJJRIXKZHHQFCW-FNORWQNLSA-N 281.286 3.602 30 20 CHED C[C@H](CCSc1ccccc1)N1CCC(F)(C#N)CC1 510969652 QJZYFSAVVNQMIJ-CQSZACIVSA-N 292.423 3.885 30 20 CHED OC(CC[C@H]1CCCCO1)=Nc1cccc2ocnc12 328871390 IIZVLXJNCYFMBX-LLVKDONJSA-N 274.320 3.765 30 20 CHED Cc1cccc(N(C)Cc2ccc(C#N)cc2F)c1C 515508717 JGQDRONFLCSAPR-UHFFFAOYSA-N 268.335 3.951 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCCCC1(F)F 425266643 IODHIRHTKSLFGX-LLVKDONJSA-N 295.289 3.704 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc(C#N)s1 134514464 SDZXLYXEMIXVOF-GQCTYLIASA-N 283.352 3.833 30 20 CHED N#Cc1ccc(NC2CC2)c(N=C(O)C[C@H]2CCCCO2)c1 329114001 SCTQMPWSVFDHST-CQSZACIVSA-N 299.374 3.680 30 20 CHED C[C@@H](CN(C)c1ccc(Cl)c(C#N)n1)c1ccccc1 517577389 UVEDCORQGAIPSK-LBPRGKRZSA-N 285.778 3.847 30 20 CHED CCCOc1cccc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1 513141874 WCTKBUIZQJGENF-UHFFFAOYSA-N 297.314 3.999 30 20 CHED C[C@H](CNc1ccc(C#N)cc1)c1ccc(F)cc1 513185373 ZBSXGGKXALHCCP-GFCCVEGCSA-N 254.308 3.913 30 20 CHED C=CCCCCSCC(=O)NCc1cc(F)cc(F)c1 518500739 WZXUUHAKPFMYDQ-UHFFFAOYSA-N 299.386 3.671 30 20 CHED O/C(=N/C1CCC(/C(O)=N\[C@@H]2C=CCCC2)CC1)C1CC1 330019649 VLMSCJBUUOISRE-SHARSMKWSA-N 290.407 3.977 30 20 CHED CC(C)c1ccc([C@H]2CCCN2c2cncc(C#N)n2)cc1 420617128 UKJYZZCIJDWZHJ-QGZVFWFLSA-N 292.386 3.813 30 20 CHED C=CCn1cc(CN[C@@H](C)c2cc3ccccc3s2)nn1 424297886 RGLWWOYOLHHYFX-LBPRGKRZSA-N 298.415 3.530 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2cnn(CC)c2c1 191165006 SCXGSSZTDCYTKQ-MRXNPFEDSA-N 271.364 3.597 30 20 CHED CC1(CC(=O)NCC#Cc2cccc(F)c2)CCCCC1 513132088 PCCQSPFJDDCEPY-UHFFFAOYSA-N 287.378 3.654 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cc(Cl)ccc1Cl 335970247 UVOAUEJCVIPXJB-UHFFFAOYSA-N 285.174 3.615 30 20 CHED N#Cc1cccc(SCCCc2ccccc2)n1 149370087 MXYMEEZPWCYZLY-UHFFFAOYSA-N 254.358 3.678 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 428657864 BVWVBMPERZAECE-VIFPVBQESA-N 287.190 3.930 30 20 CHED Cc1ccc(C#N)cc1OCc1noc(C2CCCCC2)n1 332670566 MWYGNMODBJLHBZ-UHFFFAOYSA-N 297.358 3.876 30 20 CHED C[C@H](NCc1ccc(Cl)cc1C#N)c1ccncc1F 338339884 AWMSFWVNWKLGQL-JTQLQIEISA-N 289.741 3.597 30 20 CHED CC[C@@H](/N=C(/O)c1cncc(OC(C)C)c1)C(C)C 331111661 ISVHTCNJAGLXJY-CQSZACIVSA-N 264.369 3.608 30 20 CHED Cc1sc(NC(=O)c2cccc(C#N)c2C)c(C#N)c1C 337875118 YENXUPXALZSZFM-UHFFFAOYSA-N 295.367 3.669 30 20 CHED COc1ccc(C(=O)/C=C/c2ccsc2)c(F)c1 98068772 OSPTYNUYPRTAQV-GORDUTHDSA-N 262.305 3.792 30 20 CHED CN(C(=O)C1C[C@H]2CCC[C@H](C1)C2)c1ccc(C#N)cc1 435810269 SCSDSKRIMFNVSZ-GJZGRUSLSA-N 282.387 3.737 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@H](c1ccccc1C)C(C)(C)C 431853298 GLCJDORRORKEOS-SJLPKXTDSA-N 289.419 3.526 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCc2sc(Cl)cc21 336597239 HMTMLUHDTCGOBX-SNVBAGLBSA-N 284.812 3.606 30 20 CHED N#Cc1csc(CNc2cc(F)cc(F)c2)c1 93685191 KSWIPGHCQPABCN-UHFFFAOYSA-N 250.273 3.510 30 20 CHED CCCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 430753344 JWHGSEHNGMQDKV-CQSZACIVSA-N 272.392 3.820 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2cncnc2)cc1 344087244 HOMIQIWUXBWDCC-KRWDZBQOSA-N 281.359 3.684 30 20 CHED Cc1ccc(C)c(NCCC(=O)Nc2cccc(C#N)c2)c1 244323826 XJZFRRGHABAANV-UHFFFAOYSA-N 293.370 3.616 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 434013365 CAMHWWWBOSJSGE-KBPBESRZSA-N 278.440 3.990 30 20 CHED CN(CC(C)(C)C#N)c1nc2c(cc1C#N)CCCC2(C)C 432147385 GFKXGPJQMODWLQ-UHFFFAOYSA-N 296.418 3.553 30 20 CHED N#Cc1ccc(CNC(=O)c2ccc3ccccc3c2)cc1 247694051 YDYJTSFMUBVYNQ-UHFFFAOYSA-N 286.334 3.641 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCOCC1CC1 438299737 PIHQEUACWFHIBY-UHFFFAOYSA-N 276.376 3.538 30 20 CHED CCO[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C12CCC2 245937284 UEDZHVLDQHRJTP-KZNAEPCWSA-N 298.430 3.969 30 20 CHED C[C@@H]1CC[C@H](CC(=O)[C@H](C#N)c2nc3ccccc3o2)C1 247737488 VRDYGTRXFSDEKN-AGIUHOORSA-N 282.343 3.830 30 20 CHED C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 245939646 UPWIKHKMSUSXJL-KYNGSXCRSA-N 292.382 3.739 30 20 CHED COc1cccc2c1OCC[C@H]2Nc1ccc(C#N)cc1 608779386 ILCYYRUMUUSZLD-OAHLLOKOSA-N 280.327 3.503 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 343046024 PKENDIXPWYEMIA-FZMZJTMJSA-N 287.725 3.714 30 20 CHED CC[C@@H](CC#N)NCc1cc(Cl)ccc1OCC1CC1 430760302 HCUQTLRWZSLHNT-HNNXBMFYSA-N 292.810 3.911 30 20 CHED N#Cc1ccc(N[C@@H](Cc2ccccc2)C2CC2)cc1 609914685 TXNNLOQXFZPTBW-SFHVURJKSA-N 262.356 3.991 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccs2)s1 430613059 UJGXELXCPCCANY-SECBINFHSA-N 290.413 3.992 30 20 CHED CC(=O)Nc1cccc(CNc2ccc(Cl)c(C#N)c2)c1 600851032 WIDDRIYEBNNDRU-UHFFFAOYSA-N 299.761 3.782 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)CC1(C#N)CC1 343323264 UMHQZIHXANAXQX-LBPRGKRZSA-N 262.784 3.507 30 20 CHED C[C@@H]1[C@@H](C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H]1C1CC1 529432511 ALOQEFCVUXJAKI-ULKVUYOBSA-N 288.778 3.637 30 20 CHED CC1(C)CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 435080945 GFJZGNNPSYVTDJ-UHFFFAOYSA-N 296.414 3.629 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](Cc1ccccc1)C(C)C 436314380 YVGOQRQCHWQVOX-QYZOEREBSA-N 287.447 3.825 30 20 CHED Cc1[nH]c2ccccc2c1C1=CCN(CC2(C#N)CC2)CC1 343294067 APMNKPKHVSXQPC-UHFFFAOYSA-N 291.398 3.869 30 20 CHED C[C@H](CCC#N)CN[C@H]1CC[C@@H](Cc2ccccc2)C1 602631541 YSKFODYGVYBSKT-NJAFHUGGSA-N 270.420 3.927 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2ocnc12 341591918 XQHLULJRCJKBOS-UHFFFAOYSA-N 256.305 3.535 30 20 CHED CCOc1cccc(C=Nc2cc(F)cc(F)c2)c1O 254498830 SZYLPWXXZSAHJI-UHFFFAOYSA-N 277.270 3.820 30 20 CHED C=CCN(CCCc1ccncc1)Cc1ccc(OC)cc1 347309113 NAARGBSHRXXPJK-UHFFFAOYSA-N 296.414 3.711 30 20 CHED COc1cccc(CON=Cc2ccc(Cl)cc2)c1 255455149 KAUZMNRNQNKMKC-UHFFFAOYSA-N 275.735 3.899 30 20 CHED C=CCn1cccc1-c1nc(-c2cccc(F)c2)no1 345688842 KWRFLGLDQWBXEX-UHFFFAOYSA-N 269.279 3.530 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 448642120 ZYAFOSKSDXBHSF-KCQAQPDRSA-N 275.417 3.699 30 20 CHED Cc1ccc([C@@H](C)N(C)CCOc2ccc(C#N)cc2)cc1 603684880 LVZYWSLGXPYNKI-MRXNPFEDSA-N 294.398 3.939 30 20 CHED C[C@@H](CCC#N)CN(C)[C@H](C)Cc1cccc(F)c1 602687535 MUYMVWSGKKDURJ-UONOGXRCSA-N 262.372 3.628 30 20 CHED C[C@H](C1CC1)N(CC#Cc1cccc(Cl)c1)C1CC1 446765218 NHMJBBNTANZZFH-CYBMUJFWSA-N 273.807 3.954 30 20 CHED N#C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C1CC1 601074423 RKJSKLHGZBRWES-CYBMUJFWSA-N 273.336 3.610 30 20 CHED N#Cc1cccc(C2(NCc3ccc4c(c3)CCC4)CC2)c1 269585609 BEBSPCULEHXCQM-UHFFFAOYSA-N 288.394 3.826 30 20 CHED Cn1c(C(C)(C)C)nc2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc21 442845625 NHYCHEOJQXVCHC-CHWSQXEVSA-N 296.418 3.975 30 20 CHED N#Cc1cccc(N2CC[C@@H](CSc3ccccc3)C2)n1 266217611 PNWFBWLORGGVKN-CQSZACIVSA-N 295.411 3.572 30 20 CHED Cc1nnc(SC[C@H](C)CC(C)C)c(C#N)c1C 538613233 UEMKTOXZCXEHJQ-SNVBAGLBSA-N 263.410 3.739 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CCc1ccccc1)C(F)F 449548574 OQGJOTIZUDWLFP-OAGGEKHMSA-N 295.373 3.576 30 20 CHED C=CCCC(=O)N[C@@H](CC)c1ccc(Cl)s1 265120643 GSKUUPNAFWBZKL-VIFPVBQESA-N 257.786 3.935 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 448819446 VTKXIUYWYKEEKD-BZSNNMDCSA-N 294.398 3.509 30 20 CHED CC(C)[C@@H](C)N(C(=O)c1ccc(Cl)c(C#N)c1)C1CC1 537165768 WEYRJVJLHQPBIV-LLVKDONJSA-N 290.794 3.861 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC[C@@](C)(C#N)C1 612135112 OJPRNKCORZSXPS-KEYYUXOJSA-N 291.439 3.536 30 20 CHED CC[C@@H](C)n1ncc(NCc2ccc(C#N)s2)c1C 359810563 WFIQGBVDWAZADX-SNVBAGLBSA-N 274.393 3.708 30 20 CHED Cc1c(C(=O)N2CCC[C@](C)(C#N)C2)oc2c(C)cccc12 612250088 DVFZPONGUBSNSG-GOSISDBHSA-N 296.370 3.816 30 20 CHED CCc1ccc([C@H](CO)NCCCCC(C)(C)C#N)cc1 444681085 SILPMJRESNOMOB-KRWDZBQOSA-N 288.435 3.592 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N[C@H](C#N)C(C)C)oc12 264635303 OWTDLAWKSFOJHG-CYBMUJFWSA-N 284.359 3.636 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)Nc1ccccc1OC 358640736 XPDUWHAOLIEWRU-LBPRGKRZSA-N 279.405 3.722 30 20 CHED C=C(CC)CSc1nncn1[C@H](C)c1ccccc1 538012260 OQRZDHFZBIONDJ-CYBMUJFWSA-N 273.405 3.946 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 356771497 QVOVPNTXMBPPCC-DLBZAZTESA-N 299.414 3.769 30 20 CHED C=CCCCC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F 447707792 PKBPPMNAEVGRRJ-ZDUSSCGKSA-N 289.272 3.744 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC1(C)C 618562526 DCPUOAGADKIJLD-LLVKDONJSA-N 298.839 3.898 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)[C@H](C)C1CCC1 358950353 IQHUKNPYPIYFOE-CYBMUJFWSA-N 288.439 3.747 30 20 CHED C=CCCC[C@H](C)NC(=O)NCC1(C2CC2)CCC1 538289682 JEDDFPKXRLTVGL-ZDUSSCGKSA-N 264.413 3.611 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cncc2ccccc12)OCC 534751791 GZQHWFFGJGMPND-MRXNPFEDSA-N 284.359 3.545 30 20 CHED C=CC[C@H](C)[C@@H](C)NCCc1nc2c(C)cccc2o1 268903690 GIUGZMGPWAECHM-GXTWGEPZSA-N 272.392 3.869 30 20 CHED N#Cc1ccc2nc(N3[C@H]4CCC[C@H]3CC4)ccc2c1 362640593 OTCVMXFNICGBDH-GJZGRUSLSA-N 263.344 3.628 30 20 CHED CC[C@H](CN1CCC[C@@](C)(C#N)C1)c1ccccc1 612406482 NIYOIJUVQZWEFW-WBVHZDCISA-N 256.393 3.806 30 20 CHED CCN(C[C@@H]1CCSC1)[C@@H](C)c1ccc(C#N)cc1 278374529 CBUJBFVYTAIHAA-ZFWWWQNUSA-N 274.433 3.694 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 279881821 DNELWUADQFQSNT-NVXWUHKLSA-N 287.378 3.772 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)NCC(C)(C)CC#N 459737108 VPYBIIBBTPEQFP-LBPRGKRZSA-N 264.800 3.800 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1cccc(C)c1C)OCC 270017541 HQJNTLFPTSZVDN-MRXNPFEDSA-N 275.392 3.638 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2nc(C3CC3)oc2c1 279111237 YNAMLRCPFZJVJB-UHFFFAOYSA-N 283.331 3.584 30 20 CHED CC(C)[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl 455752583 OJOWANDPQOJVCM-SNVBAGLBSA-N 279.771 3.572 30 20 CHED C[C@H](C#N)CN(C)c1ccnc2cc(F)c(Cl)cc12 450258294 PRTLMEYECBYRMA-SECBINFHSA-N 277.730 3.623 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H](C)c1cccs1 274606886 SPEKRMAQNJDKLU-LBPRGKRZSA-N 266.410 3.807 30 20 CHED CC(C)C[C@H]1C[C@H](Nc2ccc(C#N)cc2F)CCO1 540691342 AWVQJJLKFFTNOG-KGLIPLIRSA-N 276.355 3.703 30 20 CHED COc1ccc(C#N)cc1CNC(C)(C)c1cccs1 543499024 KFYSEYJMILTIAM-UHFFFAOYSA-N 286.400 3.653 30 20 CHED C=CCCCN1CC(C)(C)N(CCCC=C)C[C@H]1C 451076544 AQNJVYMJVBBRNC-MRXNPFEDSA-N 264.457 3.704 30 20 CHED CC1=C(C(=O)N(C[C@@H](C)C#N)C2CC2)CCC(C)(C)C1 450220190 HMECUJWLUONKTP-LBPRGKRZSA-N 274.408 3.664 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(CCc3ccc(O)cc3)CC2)C1 549367138 ZXQRCVKFDSBQHR-ROUUACIJSA-N 298.430 3.729 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1c1ccc(C#N)cn1 543993938 MGCRIPMELDZKPF-PBHICJAKSA-N 277.371 3.726 30 20 CHED C=CC[C@H](CC)NC(=O)NCC1(c2ccc(F)cc2)CC1 540802857 UKSXWFWMFOWFJA-HNNXBMFYSA-N 290.382 3.511 30 20 CHED CC#CCNC(=O)c1cc(Cl)ccc1SCCCC 544554181 PECLYFVMMHSXPJ-UHFFFAOYSA-N 295.835 3.985 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(-c2ccccc2)[nH]1 452774268 DPGAZPXLSYXCHM-UHFFFAOYSA-N 296.414 3.943 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)cc2ccccc12 452843083 ILQIWWBCZJKUDV-WBVHZDCISA-N 281.355 3.678 30 20 CHED C=CC[C@@H](C(=O)N1CC2(CCC2(F)F)C1)c1ccccc1 461272479 XZWAUUFHVLPKBI-CQSZACIVSA-N 291.341 3.604 30 20 CHED CC(C)(C#N)C(=O)OCc1nc(C2CCCCC2)cs1 277786821 UVXWNIPMAKCMBR-UHFFFAOYSA-N 292.404 3.784 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)Oc2ccc(C)cc21 467516690 OCIKYNJXMDOFEJ-AWEZNQCLSA-N 285.387 3.877 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)OCc1ccc(C)cc1 628156547 SIDBGNMEZQXNFC-HNNXBMFYSA-N 289.419 3.761 30 20 CHED Cc1ccsc1CCCC(=O)N1CCC(CC#N)CC1 541975749 SCDRYVLQBFRKTG-UHFFFAOYSA-N 290.432 3.532 30 20 CHED CCCc1ccc([C@@H](NC(=O)[C@@H](C)C#N)C(C)C)cc1 468174812 URJFTEIATYPSFH-BBRMVZONSA-N 272.392 3.612 30 20 CHED C=C(C)CNC(=O)c1ccc(C(C)C)c(Cl)c1 466998367 NKPNSIVGAIGRAM-UHFFFAOYSA-N 251.757 3.769 30 20 CHED COC[C@H](c1ccc(Cl)cc1)N(C)CCC(C)(C)C#N 554257683 JAQNEIMXQFROEC-OAHLLOKOSA-N 294.826 3.899 30 20 CHED C=CCC[C@H](NC[C@]1(C)CCCC[C@H]1O)c1ccco1 552044383 AJNHDPPBIDMGJV-UAGQMJEPSA-N 277.408 3.818 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCn2c(cc3ccccc32)C1 288605184 MWAPJGCVAXTBCT-LJQANCHMSA-N 296.414 3.976 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462197638 VSJCZWPZGCRRQY-RDJZCZTQSA-N 298.430 3.946 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC(C)(C)c1ccc(Cl)cc1 285232131 YHJKBMUTSBIIJZ-INIZCTEOSA-N 292.810 3.674 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/Cc2ccc(F)cc2C1=O 280934393 HNXSICKDTYFOPW-QPEQYQDCSA-N 284.334 3.734 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 284253715 QAOFEEAABOGGCQ-SUMDDJOVSA-N 296.414 3.620 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C)c1 464160105 VDIJLMYKLMNJDR-GUYCJALGSA-N 272.392 3.543 30 20 CHED C=C(C)CN1CCC[C@@H](Cc2ccc(OC)cc2)C1 555151197 PAZFFMBUTUGDNZ-INIZCTEOSA-N 259.393 3.526 30 20 CHED C=CCC[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccco1 286343025 YYNYPTCNCDYKDP-ZIAGYGMSSA-N 263.381 3.834 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1ccc(F)cc1 280523468 BFOWRYZFUHZBFP-UAGQMJEPSA-N 277.383 3.848 30 20 CHED N#Cc1cnccc1/C=C\c1cc(Cl)c2c(c1)OCO2 557381772 MLMNVIPMNDNMFI-UPHRSURJSA-N 284.702 3.506 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)cc1F 639405546 ZAVIVXGPQCMUCJ-KRWDZBQOSA-N 296.345 3.887 30 20 CHED Cc1ccccc1C(C)(C)NCCOc1ccc(C#N)cc1 555612025 GVABRPBGOLVPLG-UHFFFAOYSA-N 294.398 3.770 30 20 CHED CCO[C@H]1CC(=NNc2c(C)cc(C)cc2C)[C@H]1SC 807974769 UCFHZQUBYLZHGL-GOEBONIOSA-N 292.448 3.920 30 20 CHED C#C[C@H](NC(=O)C=C1CCCC1)c1ccc(Cl)cc1F 804422359 NZYMFESVEJELMC-HNNXBMFYSA-N 291.753 3.770 30 20 CHED C#C[C@@H](NC(=O)Cc1csc2ccccc12)C(C)(C)C 807880130 DCSVJWAGRDAPFY-OAHLLOKOSA-N 285.412 3.608 30 20 CHED CCOc1cc(C)ccc1NC(=O)[C@]1(C#N)CC12CCCC2 298245115 CWQIFRIFOVDKMZ-GOSISDBHSA-N 298.386 3.806 30 20 CHED C#C[C@@H](CC)NC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 801055778 SBWGLBCBPBCUGN-FJIDUMEYSA-N 296.414 3.518 30 20 CHED C[C@H](OC(=O)c1cc(C#N)ccc1Cl)c1ccncc1 803834344 AHWXWGCUYCFAFZ-JTQLQIEISA-N 286.718 3.525 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CC[C@H](C)C1 475300576 GZNNUHWSAQEJHJ-GJZGRUSLSA-N 266.429 3.810 30 20 CHED C#Cc1ccc(CNc2cc(C#N)ccc2OCC)cc1 809635427 GTDSNLCBPSHSGV-UHFFFAOYSA-N 276.339 3.550 30 20 CHED C=CCCCCNC(=O)N[C@H](CC)c1cccs1 472833348 NRRBNKLBTODZKW-GFCCVEGCSA-N 266.410 3.855 30 20 CHED Fc1cccc(F)c1NN=Cc1c[nH]c(C(F)(F)F)c1 807971722 FNPOZHUKOLRDNP-UHFFFAOYSA-N 289.207 3.758 30 20 CHED COc1ccc2c(c1)CCCC2=NOCc1cccnc1C 809994566 CSGUVWOOVYEXIK-UHFFFAOYSA-N 296.370 3.656 30 20 CHED CCCC(=NN[C@@H]1CCSC1)C1CCCCC1 807999528 PHDHBLRMSZFVAJ-CYBMUJFWSA-N 254.443 3.818 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H](c2ccccc2)C2CC2)C1 293991937 CAFTXVKVUFXQEZ-FHLIZLRMSA-N 268.404 3.852 30 20 CHED CC#CC(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 292733977 PUUUKAMAUNPUDF-AWEZNQCLSA-N 282.170 3.584 30 20 CHED C=CCCOC(=O)c1cc(F)c(C(F)(F)F)cc1F 805593717 CPVNHIHHPJMOIA-UHFFFAOYSA-N 280.192 3.717 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(N(C)C)cc1 806177877 LXRTYJYKCSBBGH-AWEZNQCLSA-N 273.424 3.733 30 20 CHED C[C@@H](C#N)OCCSCc1ccc(Cl)cc1F 802750894 DTDIRKWOMVVBBE-VIFPVBQESA-N 273.760 3.641 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1nc(-c2ccccc2)oc1C 803788842 ZPNHQMZLIZHEIN-QGZVFWFLSA-N 298.342 3.633 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 807990639 JZWYQPFIGWZPMI-UHFFFAOYSA-N 287.294 3.878 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N1CCCC(C)(C)[C@H]1C#N 298040926 OWRQUPVXLJHZBJ-MRXNPFEDSA-N 299.418 3.668 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(C(F)(F)F)c1C 473816861 WFNBOIANQYGLJZ-MRVPVSSYSA-N 272.270 3.710 30 20 CHED Cc1cc(NC(=O)Nc2ccc(C#N)c(F)c2)cc(C)c1O 562092096 SSNKHHSFSXYJIH-UHFFFAOYSA-N 299.305 3.664 30 20 CHED C#C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1F 809698711 FRZDPSIKBZVDLJ-RBOXIYTFSA-N 290.769 3.825 30 20 CHED C[C@H](C=NNc1cnc2ccccc2n1)C(C)(C)C 800812234 ZYGVGYZXOKQIHY-LLVKDONJSA-N 256.353 3.710 30 20 CHED CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CCOCC1 561133095 ZBWBPOHERZJQNH-MOPGFXCFSA-N 298.430 3.730 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3cc(O)ccc3C2)CCCC1 649770137 ZCLYCQXRPUJGJC-MRXNPFEDSA-N 299.414 3.502 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCCCCOC 483729931 HXDMHCZQKQSRFP-UHFFFAOYSA-N 296.455 3.581 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)c1ccc(F)c(F)c1 812892604 RRXKSFJHOWEAQU-UHFFFAOYSA-N 299.320 3.542 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCSc2ccccc21 488879103 JJZWGUPRSGJSHD-HIFRSBDPSA-N 287.428 3.833 30 20 CHED CCCCN1CCc2ccc(NC(=O)CC(C)(C)C#N)cc21 485730350 FGWINJQGYAIVLU-UHFFFAOYSA-N 299.418 3.728 30 20 CHED CC(=NNc1cccc2cnccc12)c1cc(N)ccc1F 814835957 FZUSKIOCYJHDPZ-UHFFFAOYSA-N 294.333 3.792 30 20 CHED CSc1ccc(C=NNc2cccc([N+](=O)[O-])c2)s1 814694675 UKTKKINMVHJWHC-UHFFFAOYSA-N 293.373 3.824 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 812004148 OFXCIWIJMFNQNC-HOCLYGCPSA-N 286.419 3.827 30 20 CHED Fc1cc(NN=C2COc3ccccc32)ccc1Cl 814862861 SILSZYXPVLTBQI-UHFFFAOYSA-N 276.698 3.688 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 572932213 IOFMNJPQUVXFIO-RWMBFGLXSA-N 288.778 3.781 30 20 CHED C#C[C@@H](NC(=O)/C=C(\C)CCC)c1ccc(Cl)cc1 811944993 MGPRXTFRTSHACP-AYJWMTRPSA-N 275.779 3.877 30 20 CHED C=CCCCCCCCN1C(=O)CN([C@@H](C)CC)C1=O 811841749 RJBNJEJKIKLGJM-AWEZNQCLSA-N 280.412 3.576 30 20 CHED C=CCCCCCCCNC(=O)C1CCSCC1 810766787 KYNIBKIVCTXYSF-UHFFFAOYSA-N 269.454 3.772 30 20 CHED CCCCCCCCCN(C)C(=O)OC1CCOCC1 810042692 FLBUZUXCJKPYAT-UHFFFAOYSA-N 285.428 3.984 30 20 CHED CC(C)c1nccnc1NN=C1CS[C@H](C(C)(C)C)C1 814917616 YZGZGHPSWIFYTM-LBPRGKRZSA-N 292.452 3.920 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)Cc1cc(Cl)ccc1Cl 726559598 LOVNTMXKUZJFDX-LBPRGKRZSA-N 299.201 3.590 30 20 CHED C=CCN(CC=C)C(=O)CS[C@H](C)c1ccccc1C 480393747 MMOMOMQUUUVVKO-OAHLLOKOSA-N 289.444 3.990 30 20 CHED C=CCC[C@@H](C(=O)NC[C@@H](OC)C(C)C)c1ccccc1 489712919 WVSYOTQQQNHLSL-IAGOWNOFSA-N 289.419 3.524 30 20 CHED CCOc1cccc(/C=N/CCSC(C)(C)C)c1O 727265805 ZYZGTGUDQLLZHC-LFIBNONCSA-N 281.421 3.742 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F 827565782 MRETWSXQTANFJA-VZJVUDMVSA-N 279.330 3.539 30 20 CHED CCCC[C@@H](C)N(C)Cc1ccc(C#N)cc1OC 579766778 GAEOFKFNQLONSF-CYBMUJFWSA-N 260.381 3.577 30 20 CHED N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H](c2ccccc2)C1 578193258 WAAXPJGPJPJKHM-BPQIPLTHSA-N 281.403 3.746 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CC)c2ccc(Cl)cc2)nc1 728807246 YOXXRVRCKVZAOS-OAHLLOKOSA-N 298.773 3.597 30 20 CHED CCn1c(C)cc(C=NNc2cc(F)cc(F)c2)c1C 728226043 FSIWIGQOQDNPRR-UHFFFAOYSA-N 277.318 3.849 30 20 CHED C[C@@]1(CN(CCC#N)Cc2ccco2)CC1(Cl)Cl 827963325 IHRJFRFTSADHJM-LBPRGKRZSA-N 287.190 3.579 30 20 CHED C#C[C@H](NC(=O)Nc1cc(SC)ccc1Cl)C(C)C 824475009 XFWJAXSITDTFDQ-LBPRGKRZSA-N 296.823 3.841 30 20 CHED Cc1cccc(C)c1NC(=S)N(CCC#N)CC1CC1 728793568 SHAVABBMENPVFH-UHFFFAOYSA-N 287.432 3.626 30 20 CHED C[C@@H](c1ccccc1)N(CCOCCC#N)C1CCCC1 823109805 DSKXXWUAPNDTBB-INIZCTEOSA-N 286.419 3.922 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCCOC(F)F 588619661 WTFPCGZZYPZTJR-ZDLGFXPLSA-N 279.286 3.594 30 20 CHED COc1cc(CSCCC2(C#N)CCCCC2)on1 902526169 XTAPWYLIJFWRPP-UHFFFAOYSA-N 280.393 3.781 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccsc2)C1 666314581 UJMGTASBLFRXCR-NSHDSACASA-N 250.367 3.568 30 20 CHED N#C[C@@]1(C(=O)Oc2cccc(C3CC3)c2)CC12CCCC2 824036527 SLYTUMULHTYFRY-GOSISDBHSA-N 281.355 3.943 30 20 CHED CC(C)C#CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 824336626 MKJKBTUFOFBBRP-UHFFFAOYSA-N 294.398 3.533 30 20 CHED Cc1cncc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)c1 588476575 SBTKSNJEQUNUFI-PLNGDYQASA-N 297.383 3.612 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc(C(=O)O)cc2)o1 732762519 IKFIANMZAWQGPG-QMTHXVAHSA-N 284.315 3.547 30 20 CHED C#C[C@@H](C)N(C)C(=O)N(c1ccccc1)c1ccccc1 491325599 FAHYOZVLBXKZKU-OAHLLOKOSA-N 278.355 3.898 30 20 CHED CCN(CC)c1ccc(/C=N/[C@H]2CC=CCC2)c(O)c1 735978852 MYKJPDBSDVGFAK-VUODPORTSA-N 272.392 3.766 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@H](CC2CC2)C1)c1ccccc1 584073631 IPTVUPCXPCNHJL-WMZOPIPTSA-N 283.415 3.995 30 20 CHED N#C[C@]1(C(=O)OCc2cc3ccccc3o2)CC12CCCC2 837903220 ORUWXYXYCGNALN-SFHVURJKSA-N 295.338 3.950 30 20 CHED Cc1cc(C)cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1 839044321 PVMMUTPOTQVUHJ-ZFWWWQNUSA-N 257.333 3.543 30 20 CHED CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CCc2ccccc21 837371879 IDGXSAGCIKWECX-QGZVFWFLSA-N 283.415 3.962 30 20 CHED CCCCCCCCCNC(=O)N1CCOC[C@@H]1CC 734655103 IKNQXPXTHKZFDE-HNNXBMFYSA-N 284.444 3.557 30 20 CHED N#CCCNCC1(Cc2ccccc2)CCCCC1 584346783 BLEQCUASBMEQHL-UHFFFAOYSA-N 256.393 3.683 30 20 CHED C=CCC1(C(=O)OC[C@@]2(C)CC2(Cl)Cl)CCC1 837666869 WOOSEXUMSVPYGD-LLVKDONJSA-N 277.191 3.860 30 20 CHED CCCCCCCCC(=O)N[C@@H]1C[C@H](C)n2ccnc21 836961635 ZGFVDKHCYUUHJU-UONOGXRCSA-N 277.412 3.756 30 20 CHED C#CCOc1cccc(NC(=O)Nc2ccc(C)cc2)c1 731042023 BDBRCRQWOPOAQS-UHFFFAOYSA-N 280.327 3.651 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccccc1 582831670 FDLMJRMJGSCLAP-AWEZNQCLSA-N 293.370 3.565 30 20 CHED CCCCCCCCC(=O)NCC[C@H]1C[C@H]2CC[C@H]1O2 837883105 DDHVAPIKBPNMBB-ARFHVFGLSA-N 281.440 3.811 30 20 CHED C=CCC1(C(=O)OC[C@@H]2C[C@H]3CC[C@H]2O3)CCCCC1 838152408 MLCBNNUISUFLIY-RRFJBIMHSA-N 278.392 3.624 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@]1(C#N)CC12CCCC2 837904337 XTDGLLQXZHFDQH-QGZVFWFLSA-N 288.391 3.724 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)C2CC(C)(C)C2)cc1 839185588 XIUJPGXXIQLQNT-ZDUSSCGKSA-N 272.392 3.598 30 20 CHED CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 835349477 WGSBLFHCAFGUDD-UONOGXRCSA-N 295.386 3.878 30 20 CHED C[C@@H]1CN(c2ccncc2C#N)CCc2ccc(Cl)cc21 593494137 ZJJBDQWQEMCHJC-GFCCVEGCSA-N 297.789 3.773 30 20 CHED C#CC1CCN(C(=O)Nc2ccccc2C(F)F)CC1 831871076 RRLSTPBPVXKWLN-UHFFFAOYSA-N 278.302 3.501 30 20 CHED CSc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 839053804 FDQKNIYLJLXOHY-DGCLKSJQSA-N 275.373 3.648 30 20 CHED C=C(C)CCOC(=O)Cc1c[nH]c2ccc(Cl)cc12 744303001 LAFHGUILFKYIHQ-UHFFFAOYSA-N 277.751 3.873 30 20 CHED C[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 748083404 NIILAZZAHOCZMG-OAHLLOKOSA-N 294.402 3.501 30 20 CHED CCCCCCCCOC(=O)Cc1cccc(O)c1 743258993 BWLHYRRKWZAHAN-UHFFFAOYSA-N 264.365 3.838 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Oc2cccc(OCC#N)c2)C1 841342250 AKGMABLUIFHGEM-ZIAGYGMSSA-N 287.359 3.711 30 20 CHED CC(C)c1ccsc1C(=O)OCC1(CC#N)CC1 744276546 LPBGGEIUOKSDBY-UHFFFAOYSA-N 263.362 3.722 30 20 CHED CC(C)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 595614322 KGIRQCVTJVLFPO-HNNXBMFYSA-N 272.392 3.599 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)NCc1ccc(C#N)s1 594954080 XNEQDNMISHTRAQ-AWEZNQCLSA-N 288.391 3.870 30 20 CHED C=C(Cl)COC(=O)[C@@H](c1ccccc1)C(C)C 745550150 WAZHVQZQELWUKN-CYBMUJFWSA-N 252.741 3.722 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc(F)ccc1O 841894483 PVHCNAWNUBEMPE-QGZVFWFLSA-N 296.345 3.570 30 20 CHED Cc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1C 915934871 MKJFLGSAQPCNHH-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CCO[C@@H]1C[C@H](N[C@H](C#N)c2ccccc2)C12CCCC2 595482470 OLGRFSGHVOMJRN-IXDOHACOSA-N 284.403 3.579 30 20 CHED CSCCON=C(C)c1csc(-c2ccccc2)n1 841637778 ZJAJMUBPCYLKNH-UHFFFAOYSA-N 292.429 3.914 30 20 CHED CCCc1ccc(CNCC(C)(C)CC#N)s1 598646756 YLVOUSNGBYTBLZ-UHFFFAOYSA-N 250.411 3.730 30 20 CHED Cc1c(C(=O)N(C)CC(C)(C)C#N)oc2c(F)cccc12 590495180 JJRROAABPWSQED-UHFFFAOYSA-N 288.322 3.502 30 20 CHED C[C@H](CN(C)CCc1ccc(C#N)cc1)c1ccccc1 595306502 NFBISQUXAORKTR-MRXNPFEDSA-N 278.399 3.836 30 20 CHED Cc1ccc2sc(C(=O)N3CCC[C@H](CC#N)C3)cc2c1 597899909 FPLPFSPDXXDCOC-CYBMUJFWSA-N 298.411 3.976 30 20 CHED N#Cc1ccc(CCNCc2cnc(C3CCC3)s2)cc1 594956092 UBHQMYDPGFTKAR-UHFFFAOYSA-N 297.427 3.615 30 20 CHED Cc1cc(C)c(C=NNc2cncc(Cl)n2)cc1C 914556964 JTECTEVKKUBAIG-UHFFFAOYSA-N 274.755 3.501 30 20 CHED CCCC(C)(C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 845532187 UREMBPKLSLLCJP-LBPRGKRZSA-N 281.359 3.632 30 20 CHED C#CCCCNC(=O)N[C@H]1CCC(C)(C)c2ccccc21 743690868 NNRWOAOFHWKQDM-INIZCTEOSA-N 284.403 3.512 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(OCCC(C)C)cc1 844553182 PMNVADBTYFRRBR-ZDUSSCGKSA-N 292.379 3.739 30 20 CHED CCC(CC)[C@@H](CC/N=C/c1cccc(OC)c1O)OC 746521507 IRGIRVTXIILKNW-GYZOOYGHSA-N 293.407 3.661 30 20 CHED COc1cc(C#N)cc(Cl)c1OCC1=CCCC1 592357719 MOCAPJKBQOJINN-UHFFFAOYSA-N 263.724 3.709 30 20 CHED N#Cc1ccc(CCNC(C2CCC2)C2CCC2)cc1 595055185 AFTKFJJTLLJYEL-UHFFFAOYSA-N 268.404 3.659 30 20 CHED CCCCOC(=O)C(C)(C)NCCC1(C#N)CCCCC1 847056763 ACKNHMJFBXHIPA-UHFFFAOYSA-N 294.439 3.562 30 20 CHED CCC[C@@H](C)CC(=O)OCc1cn2ccccc2c1C#N 748961818 XNTXOKGUJLCGIL-CYBMUJFWSA-N 284.359 3.680 30 20 CHED C=C(C)CCOC(=O)c1cccc(Cn2nc(C)cc2C)c1 744304540 RVKDDFQOMVJCHE-UHFFFAOYSA-N 298.386 3.671 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1 747735760 KEMQWEQXEKHTSF-CYBMUJFWSA-N 261.325 3.819 30 20 CHED CCCCCCCCNc1ccc2c(c1)N(C)C(=O)CO2 749277878 FMQCHJXAXGBJJO-UHFFFAOYSA-N 290.407 3.814 30 20 CHED C#C[C@@H](OC(=O)c1ccnn1C1CCCC1)c1ccccc1 842389917 QTYVGHDDJFKDPY-QGZVFWFLSA-N 294.354 3.530 30 20 CHED CCCCCCCCC[S@](=O)Cc1conc1C 849224110 YXQOTLRYUCARRT-SFHVURJKSA-N 271.426 3.982 30 20 CHED CO[C@@H](C#N)c1ccc(-c2ccc(CN(C)C)cc2)cc1 846778546 DFRMCOQNKRRXED-SFHVURJKSA-N 280.371 3.626 30 20 CHED C[C@@H]1CCCCN1N=Cc1cnc(-c2ccco2)s1 853382206 VMPBGPITBOSQGJ-LLVKDONJSA-N 275.377 3.611 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1nc(C)no1)c1ccc(F)c(F)c1 681464770 NWITWPJEIGIHSE-XPTSAGLGSA-N 293.317 3.624 30 20 CHED Cc1cc(Cl)cc(C)c1C=NOCC(F)(F)F 756895576 RNISBXVJELPTOB-UHFFFAOYSA-N 265.662 3.870 30 20 CHED C[C@H](CC(C)(C)C#N)NCCOc1ccccc1Cl 925604813 ACTNMKABIKUSOA-GFCCVEGCSA-N 280.799 3.637 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc(CC)cc1)OCC 756470382 KEIGZKSLHHARCG-INIZCTEOSA-N 276.376 3.664 30 20 CHED C#CC[C@H](N[C@H](C)c1cccc2c1OCO2)c1ccccc1 925638009 WUDOQGBOKHNIRQ-PBHICJAKSA-N 293.366 3.831 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CC[C@H]1C 920044753 VUWPAYYXVYWZHS-ZIAGYGMSSA-N 254.418 3.787 30 20 CHED CC1(CC(=O)N2CCCSC2=Nc2ccccc2)CC1 757793234 MKUKMXYZXUJQQO-UHFFFAOYSA-N 288.416 3.830 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(C)ccc2F)c1 920943161 QEGSZKDHLWZQLU-UHFFFAOYSA-N 273.307 3.989 30 20 CHED C=CCCC(C)(C)NC(=O)CCCc1ccsc1 856374215 SBBBTCRIWGHGRB-UHFFFAOYSA-N 265.422 3.932 30 20 CHED CCOc1ccc(/C=N/Cc2ccccc2OCC)c(O)c1 920172164 AIFBSCHOXJZLGW-XDHOZWIPSA-N 299.370 3.809 30 20 CHED CCCCn1ncc(N[C@@H](C)CC(C)(C)C#N)c1C 925968102 WCCOIWKLFYJMOY-LBPRGKRZSA-N 262.401 3.732 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)c1cc(C#N)ccc1F 854750710 WSXILOWZNAILFF-KRWDZBQOSA-N 288.366 3.738 30 20 CHED N#CC1(COC(=O)CC[C@@H]2CC2(Cl)Cl)CCCC1 850932190 BJMMOCVUTWTTOA-SNVBAGLBSA-N 290.190 3.588 30 20 CHED CSc1cc(C)c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)o1 853130441 ZADHEZHNMXVIAX-GHMZBOCLSA-N 279.361 3.549 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1nc(Cl)cs1)C2=O 759077168 RSSJZSZKJGRCCD-POHAHGRESA-N 275.760 3.927 30 20 CHED Cc1ccc(NN=C2CCOc3c2cccc3C(C)C)nn1 753921355 FUCBOAIRMOLGTI-UHFFFAOYSA-N 296.374 3.507 30 20 CHED FC(F)(F)[C@@H]1CCC[C@@H](C=NO[C@@H]2CCCCO2)C1 853326169 UWYYGUIPKYMISK-IJLUTSLNSA-N 279.302 3.884 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)Cc2c(F)cc(F)cc21 751536532 RXFVIBJEBPREQV-OQFOIZHKSA-N 291.684 3.836 30 20 CHED C=C[C@@H](OC(=O)Cc1csc(CC)n1)c1ccccc1 851453284 PRKTXISUTBJSDX-CQSZACIVSA-N 287.384 3.719 30 20 CHED CC(=NOCC(F)F)c1ccc(OCC(F)(F)F)cc1 758904924 VTEGHVHLNOHOGQ-UHFFFAOYSA-N 297.223 3.633 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2sccc2C#N)CC1 864255426 MCGHJKKDDOADCK-NSHDSACASA-N 277.393 3.664 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 935877078 VGBZHNCCGVVEPR-NTZNESFSSA-N 290.234 3.631 30 20 CHED C/C(=C/C(=O)N1CCCC(C)(C)[C@@H]1C#N)C(C)(C)C 765118905 HAWVPRATPRPSQR-UKVQZPPCSA-N 262.397 3.520 30 20 CHED C=CCN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)C(C)C 760049903 BEROASKXAJGTDX-NSHDSACASA-N 294.361 3.960 30 20 CHED CC#CCCCC(=O)n1ccccc1=NC1CCCCC1 767048887 YBDJJQQSNXBJAB-UHFFFAOYSA-N 284.403 3.555 30 20 CHED N#CCCCOc1c(Cl)cccc1Br 865393616 AVTNWSFFEHDMEL-UHFFFAOYSA-N 274.545 3.785 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)c1 769608437 CCFBTGQXCWDCKF-CLFYSBASSA-N 298.386 3.628 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(OC)cc1OC 766772744 YOFUZIZBKKGJBG-VURMDHGXSA-N 297.354 3.557 30 20 CHED Cc1ccoc1CN(C)CCCCC1(C#N)CCC1 930555132 STVLQKQAGZNJHI-UHFFFAOYSA-N 260.381 3.884 30 20 CHED Cc1ccc([C@H](C)C=NNc2ncccc2C)cc1 863107692 YJMLFXLIKGDAML-CQSZACIVSA-N 253.349 3.900 30 20 CHED CCC(C#N)(CC)C(=O)OCCSCc1ccccc1 860200345 UGVJNTWSWHHJJV-UHFFFAOYSA-N 291.416 3.793 30 20 CHED C#CCOc1cccc(-c2noc(/C=C/c3ccco3)n2)c1 761783041 LVLFTYZHAGXYMO-CMDGGOBGSA-N 292.294 3.512 30 20 CHED C=C(CC)CNC(=O)/C=C/c1ccc(SC)s1 861932988 BWORMQAQHLEXHC-FNORWQNLSA-N 267.419 3.566 30 20 CHED Cc1cc(/C=C2/COc3ccc(F)cc3C2=O)ccc1C#N 766489792 GKPWAMGVJJHPPY-AUWJEWJLSA-N 293.297 3.665 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccccc1C 764431581 CKWXTJVMUDNZOL-BQYQJAHWSA-N 258.342 3.961 30 20 CHED Oc1cccc(/C=N\[C@@H]2CCCc3sccc32)c1O 767338457 PLWMOARLAGRTRV-DZZSIBQASA-N 273.357 3.656 30 20 CHED CSc1cc2c(cc1NC[C@@H](C)CCC#N)OCCO2 877159747 KLCHBYBNAWMMMS-NSHDSACASA-N 292.404 3.531 30 20 CHED CC(=NNC[C@H](C)C#N)c1ccc(Oc2ccccc2)cc1 771106041 AHQIAVSUCZIVGG-CQSZACIVSA-N 293.370 3.952 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(OC(C)(C)C)cc1 1116621473 VUZXNOYBVWHUHW-UKRRQHHQSA-N 277.408 3.716 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)C[C@H](C)C#N)CCC2)cc1 1115928729 VHQWJGMFQAOHKT-OAHLLOKOSA-N 298.430 3.850 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(NC(=O)OC)c1C 879853145 BTYDNAHOSSECDO-UHFFFAOYSA-N 290.363 3.714 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCC[C@H](SCC)C1 779926347 OZJIGYBWVFPDSI-GJZGRUSLSA-N 281.465 3.751 30 20 CHED C#CC[C@@H](N[C@H](C)CC1CCOCC1)c1ccccc1 773116417 ROVRGOOCIRTKAW-CRAIPNDOSA-N 271.404 3.546 30 20 CHED CC(=O)c1ccc(C(=O)O[C@H](C#N)C2CCCCC2)s1 776363432 HRALPKVTLFOBMQ-GFCCVEGCSA-N 291.372 3.580 30 20 CHED CCCCCCCCC(=O)N(C)C[C@H]1CCCC[C@@H]1O 778504065 KAQNGVGIHSRWJI-CVEARBPZSA-N 283.456 3.747 30 20 CHED C=CCCC(=O)N(Cc1ccncc1)Cc1cccs1 889486072 VGDMARIOSVCXBC-UHFFFAOYSA-N 286.400 3.638 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc(O)c(F)c1 777917172 ZAEUYLRJGGTVDK-ZZXKWVIFSA-N 274.266 3.875 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCSC2)cc1 773029144 CUNZWLQKNYNYGF-JSGCOSHPSA-N 297.851 3.974 30 20 CHED CCc1noc(C2CCC(=NOCc3ccccc3)CC2)n1 778537500 AKYBERMLWZJSFH-UHFFFAOYSA-N 299.374 3.862 30 20 CHED C[C@H](CN(C)Cc1ccc(C#N)cc1)c1ccccc1 66854647 SEBOPURFOYMWHN-OAHLLOKOSA-N 264.372 3.794 30 20 CHED Cc1ccsc1C(=O)Nc1ccc(C#N)c(Cl)c1 68682806 SAOFLTCXPUCYPR-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=C=CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 887766221 VPHYZFVFGDVGGQ-LBPRGKRZSA-N 287.388 3.543 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1CO[C@@H](C)C1 784133184 XQZOTSYVLUAGJR-LSDHHAIUSA-N 269.429 3.668 30 20 CHED Clc1cccnc1NN=C1CCC2(CCCO2)CC1 788016409 SZUGJYOWPKALAZ-UHFFFAOYSA-N 279.771 3.626 30 20 CHED Fc1ccc(CNN=Cc2cc(Cl)cs2)cc1F 782203293 PAWBOZDYLRSTLB-UHFFFAOYSA-N 286.734 3.803 30 20 CHED C=C/C=C\CCNC(=O)N(CC=C)Cc1cccs1 883825135 GMPOOQKHJAFXJX-WAYWQWQTSA-N 276.405 3.578 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(N)cc1 783881216 UEUCRYNIMWLGIX-UHFFFAOYSA-N 284.750 3.630 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1ccnc(Cl)c1 782184227 IFRQWZVMDOGWPF-ARJAWSKDSA-N 279.126 3.680 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1-c1cn[nH]c1 784474454 CLYPREFNMPXBFO-UHFFFAOYSA-N 281.359 3.599 30 20 CHED C#CCC1(OC(=O)/C=C/c2ccc3ccccc3n2)CCC1 788070878 GNRALWMMSKURTP-ZHACJKMWSA-N 291.350 3.737 30 20 CHED CCC(C[C@H](C)CC)=NN[C@@H]1CCOC(C)(C)C1 780253378 SZHPPBXERVJVSG-TZMCWYRMSA-N 254.418 3.736 30 20 CHED CC(C)(C#N)CCCOC(=O)C(C)(C)c1ccccc1 782368694 IVZJNSDFOABTJW-UHFFFAOYSA-N 273.376 3.837 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](F)C(C)C)c1ccccc1 784136392 ZWQZRWFOPBRDGF-GJZGRUSLSA-N 263.356 3.804 30 20 CHED CC(=O)c1ccc(NCc2cc(C#N)ccc2F)cc1 78531600 IXXUORZJUPXICX-UHFFFAOYSA-N 268.291 3.512 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)C1 783522246 LVULLANPWTYFMR-MEWQQHAOSA-N 274.330 3.873 30 20 CHED CCOc1ccccc1C=NN[C@@H]1CCCC1(C)C 782302906 VFOBFTOJVZXLQF-OAHLLOKOSA-N 260.381 3.588 30 20 CHED CCCc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 783295067 YNRLCOGUXLZTCG-AWEZNQCLSA-N 279.387 3.757 30 20 CHED C[C@@H]1C(=NNc2ncccc2Cl)CCC[C@H]1C 781123522 XXSDJGZNOLERON-ZJUUUORDSA-N 251.761 3.959 30 20 CHED N#CCC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 781926049 DXXLUSPMTMKXQQ-UHFFFAOYSA-N 297.446 3.803 30 20 CHED C=CCCC(CC)=NNc1nnc(-c2ccccn2)s1 788030566 PDJWIIGDHOGQGC-UHFFFAOYSA-N 287.392 3.744 30 20 CHED Cc1cc(NC(=O)c2coc3c(C)cccc23)ncc1C#N 1130504597 RPYDNNPAJLNWKF-UHFFFAOYSA-N 291.310 3.569 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2scnc2C2CC2)s1 782351568 LMZNXKGFCFFCTA-GQCTYLIASA-N 286.381 3.850 30 20 CHED C=CCCCCCOC(=O)c1cc2ccccc2c(O)n1 782098437 SVJVYLOVCIKFFM-UHFFFAOYSA-N 285.343 3.844 30 20 CHED C#C[C@H](C)N[C@H](CC)c1ccc(Br)cc1 166490850 GSKOCFYMGUNRDO-GXFFZTMASA-N 266.182 3.512 30 20 CHED C[C@@H](NN=Cc1nc2cc(Cl)ccc2n1C)C(C)(C)C 793112873 XZNPPWLVKZAUBI-SNVBAGLBSA-N 292.814 3.585 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)C1(C#N)CCCCC1 512767538 RVTAQVQVYQKDTL-CQSZACIVSA-N 276.424 3.888 30 20 CHED Cc1cc(Cl)ccc1/C=C1/CCc2nn(C)cc2C1=O 794964880 KBPFSAUWAMYBEK-WQLSENKSSA-N 286.762 3.594 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc(F)c(Cl)c1 795006550 CGPJWGPATOBGPN-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 791248924 MWNSICWNLUVIJD-RTXFEEFZSA-N 290.234 3.631 30 20 CHED N#Cc1cc(F)ccc1CN(Cc1cccs1)C1CC1 103139734 ILUMOEKIMOMBLZ-UHFFFAOYSA-N 286.375 3.923 30 20 CHED C=CCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 794495352 DMPRZRLGVDHJNK-UHFFFAOYSA-N 262.092 3.857 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1ccc(F)c(F)c1 794934276 QDFBRCCELHDUGH-DJWKRKHSSA-N 296.219 3.845 30 20 CHED C=CCN(Cc1ccc2c(c1)CCO2)C1CCCC1 303231423 XYPQSEZXHHXWOW-UHFFFAOYSA-N 257.377 3.552 30 20 CHED C#C[C@H](Cc1ccccc1)OC(=O)c1oc(C(C)C)nc1C 796980130 WDXCGNOYRGCRJX-OAHLLOKOSA-N 297.354 3.508 30 20 CHED N#Cc1ccccc1NC(=O)c1cccc(C(F)F)c1 171517718 OZIUOUCQKPZZLA-UHFFFAOYSA-N 272.254 3.748 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1ccnc(O)c1 790298678 PGFXWXWVZLQDAF-UHFFFAOYSA-N 296.157 3.930 30 20 CHED COc1cc(/C=C2/Cc3ccc(C)cc3C2=O)ccc1C#N 799497721 ZTZUWUMONTYCCS-PXNMLYILSA-N 289.334 3.698 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)s2)ccc1C#N 799495460 RKCJSUDYZHMPOZ-ALCCZGGFSA-N 283.352 3.833 30 20 CHED C=C(C)CNCc1cc(Br)c(Cl)s1 191696852 BVWXWDOLGZQRPK-UHFFFAOYSA-N 280.618 3.830 30 20 CHED COc1cc(F)ccc1NN=C1CCCC12CCOCC2 799886451 QUVINDCUJIXCDX-UHFFFAOYSA-N 292.354 3.583 30 20 CHED Clc1nccnc1NN=CCC1CCCCCC1 799110214 SRNKIJMKWOHZDD-UHFFFAOYSA-N 266.776 3.888 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NN[C@H]1CCOC(C)(C)C1 797403483 OAROAGYSNFKVHI-MCIONIFRSA-N 266.429 3.736 30 20 CHED Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1C#N 799309539 SEIFYRXEHANFDW-JCGIZDLHSA-N 296.414 3.908 30 20 CHED C[C@H](NN=C(C[C@H]1CCOC1)c1ccccc1)C(C)(C)C 793112931 YDCPTXUNKGKBRZ-LSDHHAIUSA-N 288.435 3.842 30 20 CHED C=C(Cl)CNCc1ccc(-n2cnc3ccccc32)cc1 1200702693 DVFKARRLXGWZBM-UHFFFAOYSA-N 297.789 3.868 30 20 CHED CC(C)C1CCC(C=NNc2ccc([N+](=O)[O-])cn2)CC1 794896290 XPBXLVVIJYBPEO-UHFFFAOYSA-N 290.367 3.850 30 20 CHED C[C@H]1c2ccccc2OCCN1CCc1ccc(C#N)cc1 1307554465 QBNCNPFUPBMSMT-HNNXBMFYSA-N 292.382 3.556 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCC(C)(C)C2)c1C#N 1307073948 XWQGHTBFPJYPEX-SNVBAGLBSA-N 263.772 3.906 30 20 CHED COc1cc(C=NN[C@H](C)c2ccccc2)ccc1F 1319690000 GGYALLNPWWDOJM-GFCCVEGCSA-N 272.323 3.519 30 20 CHED Cc1cnc(CSCCCCC(C)(C)C#N)nc1 1323445831 NIXQNFWTMCQUME-UHFFFAOYSA-N 263.410 3.738 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1ncc(C(C)(C)C)o1 1321728443 AWQXOHKCPVRTAV-UHFFFAOYSA-N 298.342 3.509 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(C(F)F)c1 1320739814 MOUJKWCGLZAGOB-HNNXBMFYSA-N 267.319 3.843 30 20 CHED N#C[C@@H]1CCCN(c2nc(-c3ccccc3)cs2)C1 1333847768 AIXPASURAWCQEJ-LBPRGKRZSA-N 269.373 3.550 30 20 CHED N#CCCCCCC(=O)OCCC(F)(F)C(F)(F)F 1263610631 WBYWVLAUZJRFJI-UHFFFAOYSA-N 287.228 3.591 30 20 CHED CCOCCCC(=O)O[C@@H](c1cccs1)[C@@H](C#N)CC 1345106626 VMFFXVVLBSZGEY-IUODEOHRSA-N 295.404 3.699 30 20 CHED N#Cc1ccc(-c2nnc([C@H]3CCCCO3)o2)cc1Cl 1261433514 YJDIZGIQBBPRIH-GFCCVEGCSA-N 289.722 3.503 30 20 CHED COc1cccc2cc(CNCc3ccc(C#N)s3)oc12 1341604314 HQFWIJSCRNGBHJ-UHFFFAOYSA-N 298.367 3.664 30 20 CHED C/C=C(\C)C(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1348799226 PMWMOOZSMJXQHF-IQNCIHRNSA-N 263.362 3.848 30 20 CHED N#CC[C@H](C(=O)N[C@H]1C[C@@H]1C1CCCCC1)c1ccccc1 1265556804 JMMFCZDAXUEVCD-KSZLIROESA-N 296.414 3.769 30 20 CHED C=C(C)CCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 1358475849 UHCVSUZHQHOKBB-RKVPGOIHSA-N 287.403 3.720 30 20 CHED C=C[C@@H](OC(=O)c1cnc(C2CC2)o1)c1ccccc1 1353510080 RHNQMTHQQBBYJE-CYBMUJFWSA-N 269.300 3.636 30 20 CHED C=C(C)CCC(=O)N(CC(=C)C)Cc1cnn(C(C)C)c1 1358229039 XVRCGSPPNCLKBQ-UHFFFAOYSA-N 289.423 3.725 30 20 CHED C=CCSCCNCc1ccc(N(CC)CC)cc1 222061285 JOZPJTIAQPFBGK-UHFFFAOYSA-N 278.465 3.542 30 20 CHED CSc1ccc(CSc2ccnc(C#N)c2)cc1 1458357379 WSONQQYNHVQTIG-UHFFFAOYSA-N 272.398 3.967 30 20 CHED Cc1ccc(N(C)C(=O)c2csc(C#N)c2)cc1Cl 1528984512 IBFAPWHJOJKCSL-UHFFFAOYSA-N 290.775 3.858 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1oc(C2CC2)nc1C(F)F 1525269222 UKKAWIROVKWKRI-SSDOTTSWSA-N 271.263 3.611 30 20 CHED C[C@@H](CN1CCCN(c2ccccc2C#N)CC1)C(C)(C)C 1459442786 ZNQPKJAFDLHYOH-INIZCTEOSA-N 299.462 3.753 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1c[nH]c(C(=O)O)c1)C2=O 1600391484 IVOKZWCYZAWRQG-QPEQYQDCSA-N 295.338 3.542 30 20 CHED CC1(CC(=O)O[C@@H]2CCC[C@H](C#N)C2)CCCCC1 1460797633 NQJBKDWJNHRPAY-UONOGXRCSA-N 263.381 3.972 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cc(F)cc(C#N)c2)C1 1467160870 STIQVZLZPYNXRO-XHDPSFHLSA-N 289.354 3.740 30 20 CHED CC1(C)CCN(c2c(F)cc(C#N)cc2F)CCS1 228001479 DVZPJYXZWMBRTQ-UHFFFAOYSA-N 282.359 3.558 30 20 CHED N#CC1(CCN(CC(F)F)C2CCC2)CCCCC1 1473802224 OWQQVLKPVMFAGS-UHFFFAOYSA-N 270.367 3.970 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@]2(C)CCCC[C@H]2C)c1 1625601926 RWVLSCCBLBIQRO-DYVFJYSZSA-N 285.391 3.957 30 20 CHED Cc1scc(COC(=O)c2ccc(C#N)cc2F)c1C 1624362202 LSZDDEJPGQWADX-UHFFFAOYSA-N 289.331 3.733 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1cc(F)cc(C#N)c1 1563172180 YJYLPBVXLYBVBB-NSHDSACASA-N 277.343 3.644 30 20 CHED Cc1nsc(NC[C@@H]2CCC[C@@H](C)[C@H]2C)c1C#N 1642641721 XLOKIDFNJVTTMA-FOGDFJRCSA-N 263.410 3.807 30 20 CHED COc1cc(C#N)ccc1CN(C)CCC1CCCCC1 1644485497 ONMROSHSRWMUGB-UHFFFAOYSA-N 286.419 3.969 30 20 CHED N#Cc1ccc(COC(=O)/C=C/c2ccc(Cl)cc2)cc1 6065189 IREHVKGPMIAUBU-JXMROGBWSA-N 297.741 3.968 30 20 CHED Cc1[nH]nc(NCc2ccc(Cl)c(Cl)c2)c1C#N 1657496445 MPNMHKBMLUGTTJ-UHFFFAOYSA-N 281.146 3.509 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C(=O)O)c2ccccc12 1588806069 ZYGLNIHMWFATER-UHFFFAOYSA-N 298.342 3.578 30 20 CHED C=CCOc1ccc(COC(=O)Cc2ccccc2)cc1 1584602062 PAKJAWGEYPTUPL-UHFFFAOYSA-N 282.339 3.537 30 20 CHED C[C@H]1CCC[C@@H](NCc2cccc(F)c2C#N)CC1 1664315631 KMFSGESLBMTNBP-GXTWGEPZSA-N 260.356 3.756 30 20 CHED Cc1ccc(C)c(COc2ccc(C#N)cc2F)c1 232363898 DVVFOOORBGSQRI-UHFFFAOYSA-N 255.292 3.893 30 20 CHED Cc1ccc(C=NN[C@@H]2CCCCC2(C)C)cc1C(=O)O 1776056853 UIPWYFOUZLCPGZ-OAHLLOKOSA-N 288.391 3.586 30 20 CHED C=CCCCN1CCC(c2ccc(C(=O)O)cc2)CC1 1776174342 CPORXEIHLPOBLP-UHFFFAOYSA-N 273.376 3.530 30 20 CHED C=CCC[C@H](C)N1C[C@@H](C(=O)O)C[C@@H](c2ccccc2)C1 1776165367 GBDYVHWXPROCAC-UAGQMJEPSA-N 287.403 3.531 30 20 CHED N#CCc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 15029406 QGMJUKRUJBVNHE-UHFFFAOYSA-N 296.395 3.945 30 20 CHED N#Cc1cccc(SCCOc2ccccc2C#N)c1 158824097 JMSCWSWZCXMASZ-UHFFFAOYSA-N 280.352 3.601 30 20 CHED CCOC(=O)c1ccc(/C=C2/CCCC(C)(C)C2=O)o1 158994554 RQXKNJOSVPOQOW-KHPPLWFESA-N 276.332 3.619 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(F)c(Cl)c2)C1 160984373 PUHVJWCYYHGNID-BONVTDFDSA-N 294.757 3.681 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2N(C)C[C@@H]1C 151764536 DXMDLVNZVHCUHZ-HNNXBMFYSA-N 298.430 3.622 30 20 CHED CC#CCCSc1nnc(-c2ccc(Cl)cc2)[nH]1 155089683 INDMCQFYACBWNQ-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 155279317 FIQNPAJLJASNOF-YJNKXOJESA-N 276.424 3.647 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 156556076 ZTNUGJZSYYNNFH-UHFFFAOYSA-N 297.358 3.832 30 20 CHED CCOc1ccc(CNc2ccccc2C#N)cc1 19921356 XFRZDTDEQDYMRV-UHFFFAOYSA-N 252.317 3.569 30 20 CHED CC#CCCNCc1ccc(Cl)c(Br)c1 125551050 WUMLTXZFGFTBPR-UHFFFAOYSA-N 286.600 3.606 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCOC1CCCCC1 924581530 RUZVFJIODUUYDX-AWEZNQCLSA-N 266.429 3.644 30 20 CHED CC(C)c1ccccc1C(=O)N1CCC(C)(C#N)CC1 831882235 WKZVQSHBMLRNMG-UHFFFAOYSA-N 270.376 3.576 30 20 CHED C[C@@H]1CC[C@H](CNc2ccc(C#N)c(C(F)(F)F)c2)O1 128511728 OPVWLGIQENUUQJ-BXKDBHETSA-N 284.281 3.556 30 20 CHED C[C@H](NCCCCC(F)(F)F)c1ccc(C#N)cc1 130997594 FSLDHVXBDDVAPG-NSHDSACASA-N 270.298 3.941 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(OCC#N)cc1 32701379 JRMGWSIQQRLXTE-ZDUSSCGKSA-N 274.364 3.744 30 20 CHED N#Cc1ccc(NCc2noc3c2CCCC3)cc1Cl 264584711 WZXJFGBBTOQDAS-UHFFFAOYSA-N 287.750 3.691 30 20 CHED N#CC1(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CCCCC1 44385636 OWXMMZVOZCUKSW-LSDHHAIUSA-N 274.408 3.642 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(SC)cc1 281223573 JUJVMOPNDQQHHD-GFCCVEGCSA-N 275.417 3.635 30 20 CHED Cc1nc2ccc(NCCC(C)(C)C#N)cc2s1 288761901 SKRJKNVYAMLYPC-UHFFFAOYSA-N 259.378 3.957 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC(F)(F)F)cc1 179614518 QKYNRJXIZMIQGZ-UHFFFAOYSA-N 285.265 3.717 30 20 CHED N#Cc1cccc(CNc2nc(C(F)(F)F)cs2)c1 301746706 YMAFLWRZYWRSNR-UHFFFAOYSA-N 283.278 3.646 30 20 CHED CCCN(CC#N)C(=O)CCSc1ccc(Cl)cc1 72014674 MWNABVCTEPTSGN-UHFFFAOYSA-N 296.823 3.584 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(C#N)c(F)c2)C[C@H]1C 404147672 KJXDMWOPMYQIRQ-LALPHHSUSA-N 260.356 3.612 30 20 CHED C[C@@H](C#N)OCCNc1cc(Cl)cc(C(F)(F)F)c1 311553732 MHOMMCSSPFZQBI-QMMMGPOBSA-N 292.688 3.699 30 20 CHED C=CCNC(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 468880528 IHFSRNJVTSGCKJ-CQSZACIVSA-N 274.408 3.819 30 20 CHED Cc1ccc([N+](=O)[O-])cc1OCCCC(C)(C)C#N 87609026 VLJREFKQBCIZQL-UHFFFAOYSA-N 262.309 3.612 30 20 CHED N#CCC1CCN(Cc2cc(Br)cs2)CC1 335981521 WVLKYCSTQVNVIA-UHFFFAOYSA-N 299.237 3.636 30 20 CHED C=C(CN[C@@H](C)c1cnccc1C)c1ccccc1 357777001 GNUUNTLOSZHDIT-HNNXBMFYSA-N 252.361 3.754 30 20 CHED C=CC[C@@H](CC)NCc1cc(Cl)ccc1OC 393761645 MBQDVGVZEKYQQM-CYBMUJFWSA-N 253.773 3.793 30 20 CHED C=C(B1OC(C)(C)C(C)(C)O1)c1cc(C)cc(C)c1 2332241314 TVGYBDCEYWZZOG-UHFFFAOYSA-N 258.170 3.948 30 20 CHED CC(C)c1noc(CSCc2ccc(F)cc2C#N)n1 171437629 DSXYYYMYLPUXNX-UHFFFAOYSA-N 291.351 3.637 30 20 CHED N#CCCCOc1cccc(NC(=O)CCc2ccco2)c1 55568292 CUPSYNCYAJRJSF-UHFFFAOYSA-N 298.342 3.533 30 20 CHED COc1ccc(CN[C@@H]2CCCc3ccccc32)cc1C#N 172688326 LOWIRBNELXLPRR-GOSISDBHSA-N 292.382 3.734 30 20 CHED COc1cccc(C(=O)/C=C/c2cc(F)ccc2F)c1 59269412 ZVJWYQBLWYWLJH-VMPITWQZSA-N 274.266 3.870 30 20 CHED Cc1cc(O)c(CN2CCC(C#N)CC2)cc1C(C)C 57824076 FVGJCRUUNHOBOO-UHFFFAOYSA-N 272.392 3.560 30 20 CHED N#Cc1c(F)cccc1NCCCOc1ccc(F)cc1 63738043 UMDWUFJMVBVFHL-UHFFFAOYSA-N 288.297 3.717 30 20 CHED CCC[C@H](C#N)NC(=O)c1csc(-c2ccccc2C)n1 66645954 QUTJNQRMJAYXPK-GFCCVEGCSA-N 299.399 3.541 30 20 CHED Cc1nc2ccccc2n1CCCNCC(C)(C)CCC#N 174242857 BJJFMPNHPXFIFD-UHFFFAOYSA-N 298.434 3.654 30 20 CHED N#CCCCOc1cccc(Nc2ncncc2Cl)c1 302645605 MBSAXGIVDAIMRF-UHFFFAOYSA-N 288.738 3.556 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)C2(c3cccc(Cl)c3)CC2)C1 178786177 OLRXWCLPDOSKNZ-RISCZKNCSA-N 289.762 3.607 30 20 CHED CN(CC(C)(C)CCC#N)[C@@H]1CCc2ccccc21 179909542 YEACASWMWHXJJJ-MRXNPFEDSA-N 256.393 3.936 30 20 CHED N#Cc1ccnc(S[C@@H]2CCc3ccc(F)cc32)c1 178502203 AREBJNWKFYIULR-CQSZACIVSA-N 270.332 3.872 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cccc(C)c2)cc1 60851886 ZCBOQYAEYFCDEI-UHFFFAOYSA-N 278.355 3.864 30 20 CHED CC(C)c1noc([C@H](C)Sc2ccccc2C#N)n1 172682228 DAZHJJZFPANMSI-JTQLQIEISA-N 273.361 3.918 30 20 CHED N#Cc1ccc(OCc2cccc(Cl)c2)cc1F 113649796 IAGUJJABSKLCAM-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=CCOCCCC(=O)Nc1cccc(OCC(=C)C)c1 173021634 DWGQAIZRHLPNRH-UHFFFAOYSA-N 289.375 3.563 30 20 CHED C=CC1CCN(C(=O)C[C@H](C)c2ccccc2OC)CC1 110360940 JOROEECADXSIIW-AWEZNQCLSA-N 287.403 3.613 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)cs1)c1ccc(C)cc1 176870991 RQYGNMCWXQUKKJ-AWEZNQCLSA-N 284.384 3.809 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(SC(C)C)cc1 116850108 HGSFPPPYTFOLLF-GFCCVEGCSA-N 263.406 3.882 30 20 CHED C=CCCCC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 175719254 HLPBIABNSSCXCY-UHFFFAOYSA-N 287.338 3.615 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cccc2c1OCCCO2 119045719 CNJFKKFWSFZCHW-VOTSOKGWSA-N 284.311 3.645 30 20 CHED N#Cc1ccc(NCCc2ccc(F)c(F)c2)c(F)c1 301734810 GTPZZLKQPRKWOV-UHFFFAOYSA-N 276.261 3.630 30 20 CHED CCc1cccc2c(/C=C/C(=O)c3cnn(CC)c3)c[nH]c12 65999916 KUJRRYACUXSHLK-CMDGGOBGSA-N 293.370 3.843 30 20 CHED CCCc1sc(C(=O)N[C@@](C)(C#N)C(C)C)cc1CC 302224752 ZOPTUSIUDPQRNC-INIZCTEOSA-N 292.448 3.931 30 20 CHED CC[C@H](C#N)N[C@@H](Cc1ccccc1)c1ccccc1 122198090 DAZQYCWLUOZCEW-MSOLQXFVSA-N 264.372 3.862 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Cc1ccc2c(c1)CCC2 63961188 YDPYRQQJXQTDCF-UHFFFAOYSA-N 290.366 3.537 30 20 CHED CCS[C@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)C(C)C 175810030 LIOOUKSJSWUFAA-WFASDCNBSA-N 291.416 3.940 30 20 CHED C=C[C@@H](CC(=O)Nc1sccc1C#N)c1ccccc1 179883736 MLMXIXWTSJFUIV-LBPRGKRZSA-N 282.368 3.918 30 20 CHED N#Cc1cc(NC(=O)C/C=C/c2ccccc2F)ccc1F 176205095 OTGQSCLRJSKMMC-HWKANZROSA-N 298.292 3.878 30 20 CHED Cc1cc(C)cc(C2(C(=O)O[C@@H]3CCC[C@H](C#N)C3)CC2)c1 1436648832 JFMSKEZTSZXLAI-DOTOQJQBSA-N 297.398 3.961 30 20 CHED C=C1CCN(CCSc2ccccc2F)CC1 519445163 HBFOOUPQBJCSNX-UHFFFAOYSA-N 251.370 3.570 30 20 CHED N#Cc1cccnc1N(Cc1ccc(F)cc1)CC1CC1 301258443 DYMXEZDWMMJCML-UHFFFAOYSA-N 281.334 3.509 30 20 CHED CCOc1ccc(OCc2ccc(F)cc2C#N)cc1 303164405 HQVDDYGGCMTIRY-UHFFFAOYSA-N 271.291 3.675 30 20 CHED C=CCCCCCNc1cccc2c(=O)n(C)ccc12 409858117 WDUFCVVJEOEBOX-UHFFFAOYSA-N 270.376 3.697 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc(C)cc2)CCC1 188114323 PDFKJDIMKNSBOD-CQSZACIVSA-N 257.377 3.919 30 20 CHED C=C(C)[C@H](NC(=O)CCCC#CC)c1ccc(F)c(F)c1 186068330 ZHQOMWOYIBWKEL-KRWDZBQOSA-N 291.341 3.892 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2)CC1 443153357 CQPALFWQVVTDCG-OCCSQVGLSA-N 271.364 3.649 30 20 CHED C#CCCCCNC(=O)c1ccc(C(C)(C)C)s1 128183402 HWLBTOYLQJNIQI-UHFFFAOYSA-N 263.406 3.579 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1N(C)C 507223131 YFGDCXPEOKAQAV-HNNXBMFYSA-N 293.414 3.817 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)Cc2ccsc2)c1 124768388 CHKMRGRAQWMBOS-LKBVRNOZSA-N 275.373 3.512 30 20 CHED N#CC1(CN[C@@H](CCc2ccccc2)C(F)F)CCC1 418142880 NWGDEBRGONYCIH-AWEZNQCLSA-N 278.346 3.536 30 20 CHED C=CCC[C@@H](CC)N[C@H](CCC(C)(C)C)C(=O)O 414657414 LRWUUTPRYOOYJD-CHWSQXEVSA-N 255.402 3.600 30 20 CHED CCCCC(=O)Nc1cccc(OC(F)(F)F)c1C#N 411111011 IWYHCUGIFXFJCM-UHFFFAOYSA-N 286.253 3.586 30 20 CHED Cc1ccccc1C[C@@H](C)NC(=O)c1cccc(C#N)c1C 509573982 WPCGKERCMBPHDZ-CQSZACIVSA-N 292.382 3.536 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CCC[C@@H]1CC 410554463 ABGLGHZVDVUUIQ-KBPBESRZSA-N 264.413 3.791 30 20 CHED N#Cc1ccccc1CN(Cc1ccccc1)C1CC1 43643127 YRKGBTPMGFNLQM-UHFFFAOYSA-N 262.356 3.723 30 20 CHED Cc1ccc(F)cc1NC(=O)/C=C\c1ccccc1C#N 213188976 RJDRPTVLMFQFDP-CLFYSBASSA-N 280.302 3.658 30 20 CHED C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccccn1 36954325 YLVNXRDPQMTDGK-SNVBAGLBSA-N 257.724 3.780 30 20 CHED Cc1ccc(-c2cnc(CSCCC#N)o2)cc1 413013633 OPDUYAVWTQHEGO-UHFFFAOYSA-N 258.346 3.797 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1cnn(C)c1)c1ccc(F)c(F)c1 186453949 CSEPVNKUSZZHIT-BDJLRTHQSA-N 291.345 3.666 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cccc(Br)c1 450669760 QSTHQIMBMMFHJR-NSHDSACASA-N 293.208 3.794 30 20 CHED CCCCCCCOC(=O)c1ccc([S@](C)=O)cc1 126046383 FTQQWALWRYZXJF-LJQANCHMSA-N 282.405 3.551 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)C1CCCC1 413810940 AQTGISFFWNVYIX-INIZCTEOSA-N 286.419 3.758 30 20 CHED C=C(C)CSCCCOc1ccc(OC)cc1 219734706 UQLBVJQIOWLTGW-UHFFFAOYSA-N 252.379 3.773 30 20 CHED CCn1c(-c2ccc(C#N)cc2)nc2ccc(F)cc21 182241131 SCWUURXEGDNDJH-UHFFFAOYSA-N 265.291 3.734 30 20 CHED C=CC1CCN(C(=O)Nc2ccsc2Cl)CC1 189307367 XZGVDEAOKCDAAJ-UHFFFAOYSA-N 270.785 3.831 30 20 CHED Cc1c(C#N)cccc1C(=O)NCc1cccc(C(C)C)c1 509334123 YLUSEHMQVFFGEV-UHFFFAOYSA-N 292.382 3.920 30 20 CHED Cc1ccc([C@H]2OCCC[C@H]2Nc2ccc(C#N)cn2)cc1 74778285 WNRRPOYZBZFWTO-SJLPKXTDSA-N 293.370 3.594 30 20 CHED CCc1ccc([C@@H](COC)N[C@H](C)c2cccc(C#N)c2)o1 181812482 UWWVPCCDFKQBND-CXAGYDPISA-N 298.386 3.752 30 20 CHED CC[C@@H](CC#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 183921558 MJJHOOPMNWSJGV-INIZCTEOSA-N 286.419 3.725 30 20 CHED CC(C)Oc1ccc(CN[C@H](C)c2cccc(C#N)c2)cn1 181518020 XAGFUTXNLLLDPE-CQSZACIVSA-N 295.386 3.591 30 20 CHED C=C(C)CCc1noc(-c2cc(C)c(OC)c(C)c2)n1 508674183 YCDOCYOHYPIGFL-UHFFFAOYSA-N 272.348 3.871 30 20 CHED C[C@@H](CNCCCCC#N)c1cccc(Cl)c1 187858161 SMCLBOOJBPOMEF-LBPRGKRZSA-N 250.773 3.727 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1C#N 87822485 MXMBNKGQQCUGAF-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc(N)ccc1F 415908069 SYZZFZALRUQELS-UHFFFAOYSA-N 279.359 3.618 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1cccc(N2CCCC2)c1 88758883 ZFNNMUAAMSNGQP-CQSZACIVSA-N 292.386 3.727 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCc1ccco1 412838123 JEBZTOQACUZUBC-MRXNPFEDSA-N 283.371 3.516 30 20 CHED N#Cc1cccc(COc2ccc(C=O)cc2Cl)c1 43488854 SHVQQIOERYLXJP-UHFFFAOYSA-N 271.703 3.603 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCc2cc(Cl)ccc21 506189257 KOCNQKDPHBFTDW-COXVUDFISA-N 291.822 3.898 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CCC1 130857475 VMOADIHZDQMAHD-UHFFFAOYSA-N 299.418 3.670 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1ccncn1 194060885 XJIPOJWDVPMHOP-UHFFFAOYSA-N 278.400 3.691 30 20 CHED C#CCCCC(=O)O[C@H](CC)c1ccc(F)cc1F 190549257 UVSFELGTGBKAKT-CQSZACIVSA-N 266.287 3.763 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)CC1CCCCC1 426583575 IMNYUBZPJZIFSZ-CQSZACIVSA-N 266.429 3.953 30 20 CHED CC[C@@H](C)CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 421086608 RPGHMXFZXFEQKR-GFCCVEGCSA-N 273.380 3.655 30 20 CHED C=CCCCCCN(C)CN1C(=O)C[C@@H]1c1ccccc1 131396602 BQFYDYWOUGJWIL-QGZVFWFLSA-N 286.419 3.596 30 20 CHED Cn1ccc2ccc(NCc3ccccc3C#N)cc21 190620627 ZXPBFXFPPTVBOP-UHFFFAOYSA-N 261.328 3.662 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425420528 MSGIYYFBRVYQJB-IHRRRGAJSA-N 287.407 3.695 30 20 CHED C=CC[C@@H]1N(C[C@@H]2CCSC2)CCCC1(C)C 425997183 WJNHTTHDOBOOJF-KBPBESRZSA-N 253.455 3.806 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CCC(C)C 194591547 KQMZUDMUMOPOLK-CYBMUJFWSA-N 273.380 3.813 30 20 CHED CC[C@H](C)CN(C)C(O)=Nc1cnn([C@H](C)CC)c1C 331107505 GZGKPSQTLACLRV-NWDGAFQWSA-N 280.416 3.686 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CCC(F)(F)C2)s1 336568235 LLVKECVZSVFHNJ-QMMMGPOBSA-N 284.331 3.556 30 20 CHED C=C(C)CNC(=O)Nc1cc(-c2ccccc2)cnc1C 429559594 XLHCWEKDGACJLQ-UHFFFAOYSA-N 281.359 3.755 30 20 CHED C[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(C)(C)C 336343483 VBMODHFOGPIGGF-AWEZNQCLSA-N 296.414 3.856 30 20 CHED C[C@H](C#N)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 510384317 WNTNETYMNVTVGX-MLGOLLRUSA-N 298.773 3.705 30 20 CHED C/N=C(/O)c1ccc(OC)c(NCC2CCCCC2)c1 330619052 ICQBSBXYGXYPLX-UHFFFAOYSA-N 276.380 3.622 30 20 CHED C=CC[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccccc1 426573545 NHLYZTZQBNATHI-INMHGKMJSA-N 271.404 3.851 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cncc(Cl)c1C 334715222 JACCMJQWLKNAPF-LLVKDONJSA-N 279.771 3.616 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)c1ccccc1OC(F)F 426614116 YNCCTPSROJYLNV-JTQLQIEISA-N 289.285 3.728 30 20 CHED COc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 90339735 PUXZUOUMTHLLAY-KBPBESRZSA-N 280.371 3.979 30 20 CHED CCN(Cc1c[nH]c2ccccc12)[C@H]1CC[C@@H](C#N)C1 339113674 IIAOFOMTMFKAMR-HIFRSBDPSA-N 267.376 3.682 30 20 CHED CC(C)(C)SCCOc1ccc(C#N)cc1F 384072564 VOTFXTXKOJFZHA-UHFFFAOYSA-N 253.342 3.608 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC2(CCC2)C[C@@H]1C 336350938 DFKCLJSHMDGPJJ-LBPRGKRZSA-N 283.375 3.663 30 20 CHED C=C(C)CNCc1ccc(OCC(C)C)c(OCC)c1 512374838 JKEUYAVGGTWCQX-UHFFFAOYSA-N 277.408 3.786 30 20 CHED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc2ccoc2c1 518327549 UATQWOJSDIFSKK-HOCLYGCPSA-N 285.343 3.743 30 20 CHED N#Cc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1 49963210 YIEMNWJZXGGUSP-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CCC(=O)c1ccc(OCCOc2ccc(C#N)cc2)cc1 97603899 ZXZROZOXEFRQPE-UHFFFAOYSA-N 295.338 3.609 30 20 CHED CC1=C(C(=O)Nc2cc(C#N)ccc2OC(F)F)CCC1 437357054 YUHJGWIVGGWQLK-UHFFFAOYSA-N 292.285 3.599 30 20 CHED N#Cc1csc(CNc2ccc(NC(=O)C3CC3)cc2)c1 93685379 NJVZYBLIUHMMIX-UHFFFAOYSA-N 297.383 3.580 30 20 CHED C=CCC[C@H](O)CN1CC[C@@H](c2ccccc2)C[C@@H]1C 439328663 MNBGOHALFXGSCU-JQHSSLGASA-N 273.420 3.582 30 20 CHED Cc1ccc(C[C@@H](C)Nc2snc(C)c2C#N)s1 92912596 HFGSGVMVGOZOSC-MRVPVSSYSA-N 277.418 3.736 30 20 CHED C=CCCCCCN1C(=O)[C@H](C)N(c2ccccc2)C1=O 521184416 HWWOVYMQYYMEIS-AWEZNQCLSA-N 286.375 3.590 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C1C[C@H]2CCC[C@H](C1)C2 435813312 GODDNOJSEJDALB-RYUDHWBXSA-N 286.350 3.852 30 20 CHED C=CCOc1ccc(OCc2ccc(C#N)cc2)cc1 524680429 WBDKRVSJDZVXLC-UHFFFAOYSA-N 265.312 3.702 30 20 CHED Cc1ccc2sc(CN(CCC#N)CC3CC3)nc2c1 528401526 YAPCNVOOUADHFL-UHFFFAOYSA-N 285.416 3.730 30 20 CHED C=CCN(CCOC)Cc1csc(Cl)c1Cl 432928135 LIDAQEAQDKTMHC-UHFFFAOYSA-N 280.220 3.689 30 20 CHED CN(CCC#N)c1ccc(CN2CCC[C@@H]3CCC[C@H]32)cc1 245561733 OGXSAOQNGKWLQF-PKOBYXMFSA-N 297.446 3.801 30 20 CHED CC(C)(NCCCC#N)c1ccccc1Br 181523288 JPKJIKVTHILMCN-UHFFFAOYSA-N 281.197 3.578 30 20 CHED C=CC1CCN(C(=O)C2(Cc3ccc(F)cc3)CC2)CC1 437843709 RJFWXIPCDDDBQL-UHFFFAOYSA-N 287.378 3.573 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1CCC[C@@H](SC)C1 432578972 MNFDIHJWFIWRTP-QWHCGFSZSA-N 284.469 3.562 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCSc3ccccc32)C1 248835545 NACJMVGYJKKVHQ-NFAWXSAZSA-N 272.417 3.895 30 20 CHED CCC[C@@H](C#N)NC(=O)c1sc(-c2ccccc2)nc1C 522959366 IVJRUMVEZANLHU-ZDUSSCGKSA-N 299.399 3.541 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cccc2ccsc12 345879742 FEYVBPHQYZTMJI-UHFFFAOYSA-N 286.400 3.961 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1cc(C)cc(C)c1 528466064 PWMRNUNRBJXATA-CQSZACIVSA-N 272.392 3.811 30 20 CHED Cc1ccccc1OCCCNc1snc(C)c1C#N 342001127 BVCUHOXNRMOLAX-UHFFFAOYSA-N 287.388 3.513 30 20 CHED C=CCN(Cc1cccc(C)n1)CC1CCCCC1 605898784 HQHSDRHEIDFQPD-UHFFFAOYSA-N 258.409 3.958 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCN(C)c2ccccc2C1 345117325 DFMZBMGZBAFLAE-OAHLLOKOSA-N 291.398 3.571 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc2cc[nH]c2c1 600118258 UOFWDCWWXYHPLP-UHFFFAOYSA-N 269.392 3.930 30 20 CHED CC1(C)CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 437575311 CVIVWZJYIFCVAS-UHFFFAOYSA-N 297.320 3.669 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1ccc(C#N)s1)CO2 255118904 WYQPBGSLMSCMKK-GHXNOFRVSA-N 295.363 3.895 30 20 CHED COC[C@H](NC[C@@H](C)CCC#N)c1ccc(Cl)cc1 602641943 VWTJUNFOPJENDJ-WFASDCNBSA-N 280.799 3.557 30 20 CHED N#CCCN(CCCSCc1ccccc1)CC1CC1 341574264 JZKALUMUBMEVBX-UHFFFAOYSA-N 288.460 3.936 30 20 CHED C[C@@H](SC[C@@H]1CCCOC1)c1cccc(C#N)c1 526948502 GLAZCTOBWFXDOS-TZMCWYRMSA-N 261.390 3.779 30 20 CHED C[C@@H](CCC#N)CNCCC(C)(C)c1ccccc1 602519965 BZEKUQUTGVIMKS-HNNXBMFYSA-N 258.409 3.884 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N(C)c1ccccc1C#N 602282727 KFRYFWASYNZRDT-HNNXBMFYSA-N 292.382 3.708 30 20 CHED Cc1csc(NC(=O)c2ccc(F)c(Cl)c2)c1C#N 344901209 RJOLTRHZDTVKCM-UHFFFAOYSA-N 294.738 3.973 30 20 CHED C=C(C)[C@@H](NC[C@H](F)CC)c1ccc(F)c(F)c1 440501019 CYQPUTWYIFWWQY-BXUZGUMPSA-N 257.299 3.920 30 20 CHED C=CCCCSc1nc2c(c(C)c1C#N)CCC2 609782142 KPLYOGBUJCUZQH-UHFFFAOYSA-N 258.390 3.809 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(Cl)cc2C)no1 601393006 YNKNHVBFSJLVAG-AWEZNQCLSA-N 275.739 3.890 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(-c3ccccc3)o2)cn1 255840483 DKVLVISZMBFCEL-CLFYSBASSA-N 278.311 3.576 30 20 CHED Cc1ccc([C@H](C)CN(CCC#N)CC2CC2)cc1 600118536 XWPZVTTZUCTNMH-OAHLLOKOSA-N 256.393 3.724 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(-c2cc(C#N)cs2)n1 356570777 BYFSTKBIHIBSBS-ONGXEEELSA-N 273.361 3.963 30 20 CHED C[C@@H](OC(=O)/C=C\c1ccccc1C#N)c1ccccc1 255368248 JYDHDDROIXJZNK-XMXAVACDSA-N 277.323 3.876 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 357793132 MWBHVUMUXKUOAC-LBPRGKRZSA-N 298.317 3.503 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cccc(-c2ccoc2)c1 353275091 QVVHVFDTCNHQKN-UHFFFAOYSA-N 282.343 3.568 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@H](c1ccccc1)C(C)C 609129485 AHXMYKHRYZSNKF-IRXDYDNUSA-N 286.419 3.871 30 20 CHED Cc1coc(S[C@@H](C#N)CCc2ccccc2)n1 601080300 CDTXUXWDZNVWOM-CYBMUJFWSA-N 258.346 3.600 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)[C@@H](c1ccccc1)N(C)C 449253723 ZOVDWWANJPQVQB-IZIZEDOESA-N 299.462 3.740 30 20 CHED C=CC[C@H](CO)CNC(=O)[C@@H](CCC)CC1CCCCC1 539322974 ROJSTWCOQJYSHE-IRXDYDNUSA-N 295.467 3.674 30 20 CHED CN(Cc1ccc2ccccc2c1)c1cccc(C#N)n1 609893589 YALXPNOCXQDSHC-UHFFFAOYSA-N 273.339 3.743 30 20 CHED CO[C@@]1(C)C[C@H](N(C)CCCCC(C)(C)C#N)C1(C)C 444640530 NPWIZTRANZPIHV-YOEHRIQHSA-N 280.456 3.842 30 20 CHED C=CCN[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 537052268 ZENVMBXFTRBEOL-ZDUSSCGKSA-N 275.392 3.853 30 20 CHED CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@H]1CCC#N 603923372 COFFUGQNFVWXIY-JTQLQIEISA-N 296.157 3.636 30 20 CHED C=CCC[C@@H](NCCc1cccnc1OC)c1ccco1 353541222 RCBCUHYWWWYRQO-OAHLLOKOSA-N 286.375 3.523 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@H](C)C1 355653514 OLHWRHLHXMXEFB-QWHCGFSZSA-N 285.391 3.755 30 20 CHED C=C(CC)CSCC(=O)N(CC)Cc1cccc(F)c1 537993331 KBADISPOEIHBBH-UHFFFAOYSA-N 295.423 3.874 30 20 CHED Cc1ccc(/C=C/c2nc(SCCCCC#N)n[nH]2)o1 355848458 WJVRFSMVWWXJHO-BQYQJAHWSA-N 288.376 3.663 30 20 CHED CN(C)c1ccc(C(F)(F)F)cc1N[C@@H]1CC[C@H](C#N)C1 442871263 FFBQFVRDZVJKIQ-CMPLNLGQSA-N 297.324 3.876 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CC12CCCCC2 531652800 IJONXZFWCWOYDV-CQSZACIVSA-N 298.386 3.866 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc2cc[nH]c12 353419648 NLLKCHIJGRUVEF-UHFFFAOYSA-N 269.392 3.930 30 20 CHED C=CCOCCCSCc1csc(CCC)n1 359118820 AVJXHVSWRUUUTG-UHFFFAOYSA-N 271.451 3.922 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(C)c(OC)c1 538290043 HQMASFXQHLQRHM-AWEZNQCLSA-N 290.407 3.548 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCc1sccc1C 538047098 OLZMVWAGYNBIGO-UHFFFAOYSA-N 299.399 3.601 30 20 CHED Cc1ccsc1CCN[C@H](C)c1ccc(C#N)cc1 538406671 OZSPYCYUVRKMQM-CYBMUJFWSA-N 270.401 3.822 30 20 CHED N#C[C@H]1CCC[C@H]1NCc1cnc(-c2ccsc2)s1 350394695 RUAKZWVQQHLJGW-ZWNOBZJWSA-N 289.429 3.653 30 20 CHED Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OCC2CC2)c1 442781114 LYORQDVKQBCPCA-WBVHZDCISA-N 284.403 3.566 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc(C#N)c1 532069831 GPDPLKRNHVVJIS-DLBZAZTESA-N 284.403 3.528 30 20 CHED N#CC1(F)CCN(Cc2cc(Cl)sc2Cl)CC1 449316877 QREJQDYZBQZTOW-UHFFFAOYSA-N 293.194 3.883 30 20 CHED COc1c(CN[C@H]2CCC[C@@H](C#N)C2)oc2ccccc12 618577810 UYVBCMVMWPPKPI-OLZOCXBDSA-N 284.359 3.613 30 20 CHED CN(C(=O)CCCC(C)(C)C)c1ccccc1C#N 269815461 HRIYWIVHVOJGAE-UHFFFAOYSA-N 258.365 3.737 30 20 CHED CC(C)C[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 539824624 HCESGLYNGFVULJ-ZDUSSCGKSA-N 262.422 3.878 30 20 CHED CC#CCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 535711238 CKQOXGHUIVBUDW-UHFFFAOYSA-N 283.371 3.547 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1cccc(OCC#N)c1 267767768 UMIMBGYGKZUJKW-UHFFFAOYSA-N 274.364 3.600 30 20 CHED C=C(CC)CN1CC=C(c2ccc(C#N)cc2)CC1 539096745 AXGYLDOSAMGOSC-UHFFFAOYSA-N 252.361 3.614 30 20 CHED C=CCCOCCNC(=O)[C@@H](CC1CCCC1)C(C)C 533857617 BTQCCZPCXRDNHL-INIZCTEOSA-N 281.440 3.548 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 535610562 PYVQXWWNIUFHER-DVOMOZLQSA-N 264.413 3.647 30 20 CHED Cc1ccc(C#N)nc1NCc1ccc(Cl)cc1 611398689 HVSCNQLRUNFVCW-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(C2CC2)c1 453339620 HJDWKMDSRMDLIS-XWIAVFTESA-N 271.404 3.948 30 20 CHED C[C@@H](NC[C@@H]1OCCc2ccccc21)c1cccc(C#N)c1 367748737 JUNUTDZXXCHNOO-KUHUBIRLSA-N 292.382 3.523 30 20 CHED Cc1nccn1-c1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 459727209 FXPLLMZAVVSNFG-CQSZACIVSA-N 296.418 3.771 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccccc1OCCF 455733138 IXZLVHGCSUPYHJ-UHFFFAOYSA-N 294.370 3.759 30 20 CHED C=CCN(C(=O)c1ccc(Cl)cc1OCC)C1CC1 273301107 RLHZSNORWOVHQH-UHFFFAOYSA-N 279.767 3.529 30 20 CHED C=CC1CCN(C(=O)c2ccc(OC3CCC3)cc2)CC1 361807604 BZGUMRVXMDUIMG-UHFFFAOYSA-N 285.387 3.656 30 20 CHED C=CCOCCCc1nc([C@H]2CCCc3ccccc32)no1 273683556 HIUXCRXRMJMTKZ-INIZCTEOSA-N 298.386 3.673 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(C)c(C)c1Cl 543108045 UWNJWTDDQHAKDF-JTQLQIEISA-N 251.757 3.651 30 20 CHED C=CC1CCN(C(=O)c2cnc3ccccc3c2C)CC1 361170469 YSLXBXYRARITIM-UHFFFAOYSA-N 280.371 3.581 30 20 CHED CC[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 278383235 DGTMNVASYARSAP-SJORKVTESA-N 284.403 3.701 30 20 CHED C/C(=C/c1ccccc1)CN1CCC(CC#N)CC1 542854223 PEUPURTVLLVILT-SQFISAMPSA-N 254.377 3.716 30 20 CHED C[C@]1(C#N)CCCN(Cc2ncc(-c3cccs3)o2)C1 612159500 BZOYKMZPIVNDCZ-OAHLLOKOSA-N 287.388 3.529 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc([C@@H]2CCOC2)c1 540528945 FAPNPYOIBKHQDC-WMLDXEAASA-N 287.403 3.665 30 20 CHED COc1c(C)ccc(NCc2ccc(CC#N)cc2)c1C 544095051 JXFAYNQGZWIGEC-UHFFFAOYSA-N 280.371 3.990 30 20 CHED C=CCC1(CN[C@H](C)c2nccs2)CCCC1 453384328 TZUBLHRYHSVWIS-GFCCVEGCSA-N 250.411 3.930 30 20 CHED C[C@]1(c2ccccc2)CCCN([C@H]2CC[C@@H](C#N)C2)C1 278553771 HQTFVJXEOVYAGA-NJAFHUGGSA-N 268.404 3.732 30 20 CHED CC(C)(C#N)CC(=O)N1CCSc2ccc(Cl)cc21 278204994 GOSCMBKMXXGVGY-UHFFFAOYSA-N 294.807 3.719 30 20 CHED CC[C@H](Cc1ccccc1Br)N(C)CCC#N 360787862 RLAMTNRBQFCMCM-CYBMUJFWSA-N 295.224 3.616 30 20 CHED CC(C)(CC#N)CNC(=O)c1occc1-c1ccccc1 457989939 ONZGZBKBLFIAGQ-UHFFFAOYSA-N 282.343 3.616 30 20 CHED CC[C@@H]1CCc2ccccc2N1C(=O)CC(C)(C)C#N 279029587 PJSDPDVCCSMDPT-CQSZACIVSA-N 270.376 3.684 30 20 CHED CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@@H]1CCC(C)(C)C1 362187695 FBWUAJMAFUACKO-MRXNPFEDSA-N 296.414 3.627 30 20 CHED COc1ccc2c(c1)[C@@H](NCCCC#N)CCCS2 275740600 QIRZGGWMVJEQKK-AWEZNQCLSA-N 276.405 3.516 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(Cc2cccc(C#N)c2)n1 547098642 PYFGQPQMAOAVKD-IUODEOHRSA-N 281.359 3.826 30 20 CHED C=CCOc1ccc(CN[C@]2(C)CCO[C@H]2C)cc1Cl 544368189 IOWQHAMPCKMTTC-BLLLJJGKSA-N 295.810 3.562 30 20 CHED C=CCCOCC(=O)N1CCC[C@@H]1c1ccccc1Cl 620201504 JXROZRPHPLOBOJ-OAHLLOKOSA-N 293.794 3.596 30 20 CHED C=C[C@@H](CC(=O)N1CCOCC12CCCC2)c1ccccc1 270690840 WFHIFTPVSUNKPS-INIZCTEOSA-N 299.414 3.518 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccc(SC(C)(C)C)cc1 289778261 LUMZTNIYNNFAAH-MRXNPFEDSA-N 293.432 3.843 30 20 CHED C=CC[C@H](C(=O)N1CC(C)(CC)C1)c1ccccc1 462741999 VAKHXSSGPVYLGT-HNNXBMFYSA-N 257.377 3.605 30 20 CHED CC[C@@H](C#N)Nc1ccc(F)cc1OCCC(F)(F)F 283906139 UVUNHWRLUYXJRD-JTQLQIEISA-N 290.260 3.871 30 20 CHED CC(C)(C#N)CCCN[C@H](c1cccs1)C(C)(C)CO 289257706 CWDPWYYQVRCCDD-CQSZACIVSA-N 294.464 3.727 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1nc(CC2CCCC2)no1 551160784 YNXWCBYUOIAMLR-GFCCVEGCSA-N 297.358 3.814 30 20 CHED N#Cc1[nH]c(=N[C@H]2CCC[C@@H]2c2ccccc2)ccc1Cl 558117084 QRQHUUOAIXBHEY-HIFRSBDPSA-N 297.789 3.777 30 20 CHED Clc1ccc(C#CCN2CCCC[C@H]2c2cc[nH]n2)cc1 285521086 ZERLXCHEWNJNBP-KRWDZBQOSA-N 299.805 3.642 30 20 CHED CC#CCCCC(=O)Nc1n[nH]c(C)c1-c1ccc(C)cc1 630021486 SWFBPZIXWAOLHJ-UHFFFAOYSA-N 295.386 3.826 30 20 CHED Cc1occc1CN(C)C(=O)c1ccc(C(C)(C)C#N)cc1 280729923 YSZCGFIQEQHIOU-UHFFFAOYSA-N 296.370 3.661 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)c1cccc(C)c1 551149147 RPRJGZZAIKJYJD-UHFFFAOYSA-N 282.318 3.673 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc2[nH]c(C)cc2c1 286695613 PSJCZWKVCJMEPU-QGZVFWFLSA-N 270.376 3.695 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2cccc(Cl)c2C1 287112882 YENJHEDLTVZOGR-UHFFFAOYSA-N 275.779 3.951 30 20 CHED C=CCCCSc1nnc(CCc2ccccc2)o1 463218873 NFDDHXVNTAMHMR-UHFFFAOYSA-N 274.389 3.913 30 20 CHED C=CCC1(C(=O)Nc2cc(Cl)c(O)cc2F)CCC1 287128146 ZFFZAFHJCAUYMT-UHFFFAOYSA-N 283.730 3.870 30 20 CHED C=CCCCNC(=O)Nc1nc(C)c(C(F)(F)F)s1 554583621 IEKKGCBUPFJHLF-UHFFFAOYSA-N 293.314 3.558 30 20 CHED CCc1ccc([C@@H]2CCCN(C[C@@H](C#N)CCC#N)C2)cc1 286500124 PQWLANCQOPROKG-IEBWSBKVSA-N 295.430 3.872 30 20 CHED CC(C)CC1(C(=O)NCCc2cccc(C#N)c2)CCCC1 477906319 IHJSOTZETQLVPE-UHFFFAOYSA-N 298.430 3.823 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)NCC1(C#N)CC1 555843109 HMXJSYMAOKGTTH-UHFFFAOYSA-N 285.391 3.545 30 20 CHED C=C(C)COCCN[C@H](CC)c1cccc(Cl)c1O 806146460 AWBFNSJBYNYRCC-CQSZACIVSA-N 283.799 3.679 30 20 CHED CSC1(C=NNc2nccc3sccc23)CCC1 800810050 FGMVCPSGAXYRAW-UHFFFAOYSA-N 277.418 3.980 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H](CC)c1ccncc1 472839550 IGCZBRXNDYTBHA-HNNXBMFYSA-N 275.396 3.530 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cscc1Cl 636438348 VQASJSXGISOXKX-LBPRGKRZSA-N 273.785 3.569 30 20 CHED C#C[C@@H](NCc1c(Cl)ccc2cccnc12)C(C)C 809685202 FWPWGQMZAGTUJJ-OAHLLOKOSA-N 272.779 3.636 30 20 CHED Cn1cnc(/C=C\C(=O)c2ccc(Cl)cc2Cl)c1 800792776 YBBCIVRDTMDSIV-HYXAFXHYSA-N 281.142 3.623 30 20 CHED COc1cc(Cl)ccc1CSCCO[C@@H](C)C#N 802753359 ZFBFDSJRHJAYJZ-JTQLQIEISA-N 285.796 3.510 30 20 CHED CCCCCCCCCn1cnc(C(F)F)cc1=O 291701789 ULBHMFPQQZDPGW-UHFFFAOYSA-N 272.339 3.932 30 20 CHED C[C@@H](C#N)OCCN1Cc2ccccc2-c2ccccc21 801930588 RUJWCFIEYNXNSD-AWEZNQCLSA-N 278.355 3.602 30 20 CHED N#Cc1cc(Cl)cc(OC[C@@H]2CC2(Cl)Cl)c1 806585023 FHSYFTUAIZHONS-QMMMGPOBSA-N 276.550 3.784 30 20 CHED O=C(/C=C\c1cnccn1)c1cccc2ccccc12 809151517 AGLCPFYFNSDLOX-HJWRWDBZSA-N 260.296 3.526 30 20 CHED CC(C)N(C(=O)CCCC#N)[C@H](C)c1ccccc1 297747116 HEBJTYOPCQVQBH-CQSZACIVSA-N 258.365 3.678 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1cccc(C2CC2)c1 295597681 OWGUFPHSMHZXIZ-PXAZEXFGSA-N 270.376 3.681 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1cccc(C(=O)O)c1 806559130 VOBIGYPRRDJRFM-KHPPLWFESA-N 296.322 3.680 30 20 CHED CCC(CC)[C@H](C)C(=O)OCCCC1(C#N)CCOCC1 800190642 OKTLSDSPWONRTF-AWEZNQCLSA-N 295.423 3.702 30 20 CHED N#CC1(COC(=O)C2(c3cccnc3)CCCC2)CCCC1 808998157 XZVRPCQMSKHXAT-UHFFFAOYSA-N 298.386 3.521 30 20 CHED COc1cc(NCc2cc(C#N)cs2)c(C)cc1C 475672617 ZEASALZBULVXNF-UHFFFAOYSA-N 272.373 3.857 30 20 CHED C(=NN[C@@H]1CCSC1)c1ccc(-c2ccccc2)cc1 808003859 XGOBLTDLDFQUNY-QGZVFWFLSA-N 282.412 3.783 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 477186526 FCHGFVIZMDDDRM-CABCVRRESA-N 286.419 3.761 30 20 CHED CCCCCCCCNC(=O)c1cc[nH]c1CC 802866482 KHCIPRXAAZTZDM-UHFFFAOYSA-N 250.386 3.667 30 20 CHED CC(C)Oc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 294958437 IDPWHMVMCQWEFC-UONOGXRCSA-N 258.365 3.968 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2ccccc2[C@H]1C 297737935 ODCHJOVATOZYFL-CYBMUJFWSA-N 257.377 3.735 30 20 CHED C=CCC[C@@H](C)Nc1ccc(F)c(N2CCCNC2=O)c1 290527464 QKXRZDFECAZRGN-GFCCVEGCSA-N 291.370 3.512 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCC(F)(F)C1 479856450 YCESBIICZKUDLA-OAHLLOKOSA-N 293.357 3.679 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cc(C)ccc1F 470177297 BSFRSTNPIXQIRM-INIZCTEOSA-N 263.356 3.695 30 20 CHED C=CCCCCNC(=O)C1CC(c2ccc(F)cc2)C1 644678204 QFEOAGRATNAHQH-UHFFFAOYSA-N 275.367 3.792 30 20 CHED C=C(CC)CN[C@H](COC)c1cccc(C(F)(F)F)c1 563641287 GQBWCFXMVRPCHL-CQSZACIVSA-N 287.325 3.949 30 20 CHED C=CCCCCOC(=O)C[C@@H](C)c1c(C)noc1C 811012349 IKPOSOITTPHKFU-LLVKDONJSA-N 265.353 3.685 30 20 CHED C=CCC[C@H](NC[C@H]1CCCN(C(C)C)C1)c1ccco1 567258014 DPDSAOPRBYXCLK-SJORKVTESA-N 290.451 3.997 30 20 CHED CC(CCCCCCC(=O)O)=NNc1cc(Cl)ccn1 814897660 BFKFDBIRESATMO-UHFFFAOYSA-N 297.786 3.948 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(-n2cccc2)c1 814926776 JSNZRTYSIZNACF-UHFFFAOYSA-N 276.286 3.627 30 20 CHED C=CCC(F)(F)C(=O)Nc1c(C)cc(OC)c(C)c1C 816662379 NYLNTBWUXBKIAA-UHFFFAOYSA-N 283.318 3.770 30 20 CHED C[C@H](N[C@H]1CCc2cccnc2CC1)c1cccc(C#N)c1 817578676 OAVVISXGIUPSIC-KSSFIOAISA-N 291.398 3.551 30 20 CHED C=C(C)CNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 488569123 SLBSJMCNDJAWSL-SFHVURJKSA-N 294.398 3.846 30 20 CHED C=CCC(C)(C)CN[C@H](C)CCc1ccc(OC)c(O)c1 560561092 DCMHFNBOZIUASP-CQSZACIVSA-N 291.435 3.914 30 20 CHED CC(=NOCCC1CC1)c1nccc2ccccc12 814247099 RASLFNGZMZCLKS-UHFFFAOYSA-N 254.333 3.776 30 20 CHED CCC(CC)CNN=C1CCC[C@@H](CCCC(=O)OC)C1 814906080 FDGQRJSKICITAH-HNNXBMFYSA-N 296.455 3.902 30 20 CHED C#CCON=Cc1ccc(-c2ccccc2Cl)o1 812236724 WGAUBVZZYBZWIO-UHFFFAOYSA-N 259.692 3.584 30 20 CHED CCC(CC)[C@H](NC(=O)NCC1(C#N)CC1)c1ccccc1 573184563 XZSFISSDOQWXRZ-INIZCTEOSA-N 299.418 3.767 30 20 CHED Cn1cc(/C=C\C(=O)c2cc(F)cc(F)c2)c(C(F)F)n1 812244169 ZUTUDJBYBCHFSX-IHWYPQMZSA-N 298.239 3.532 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](OC(C)C)C2)CCCC1 650323949 CPSOUDRTYJVCGG-OAHLLOKOSA-N 279.424 3.539 30 20 CHED C#CCC1(OC(=O)c2cc3cccc(OC)c3o2)CCC1 810752026 PNXJQPZCSCZGPE-UHFFFAOYSA-N 284.311 3.544 30 20 CHED CCCCCCCc1nc(CCC2CCOCC2)no1 815722474 TXVFERLEGMXAHQ-UHFFFAOYSA-N 280.412 3.942 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(Cl)cc(C)c1O 488985233 TVYISOZYSYZRMU-UHFFFAOYSA-N 290.750 3.594 30 20 CHED CC(C)C[C@H](C(=O)Nc1cccc(C#N)n1)c1ccccc1 579112500 LJRVMVSWCNAMBL-INIZCTEOSA-N 293.370 3.722 30 20 CHED Cc1nc(N2CCC(C)(C(C)C)CC2)ccc1C#N 487714876 BIGBKENIFMDZON-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@@H](C)[C@H]1CC 573021429 XSKWJGGLVTZGQK-UKRRQHHQSA-N 288.439 3.747 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1scnc1C1CCCC1 488817571 FAHSAYSMPFQJSV-CYBMUJFWSA-N 290.432 3.981 30 20 CHED C=CCCC1(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)CC1 579358329 OEBLGNXGRFORTI-HNNXBMFYSA-N 284.403 3.738 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1 822432774 LZHAAFNHDLRESS-RDJZCZTQSA-N 299.414 3.739 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@H]1CC 570730677 DUFPZJXQKUENMJ-MGPQQGTHSA-N 276.428 3.602 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CC2(CCC2)C1 571210759 WBXLTJGHAIZDKN-UHFFFAOYSA-N 296.414 3.876 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCc1ccccc1C#N 727883158 RWJULYJFTGKXLH-CYBMUJFWSA-N 259.349 3.674 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cn1 727256388 ZFIHFZKHHVCMHU-LBPRGKRZSA-N 290.367 3.994 30 20 CHED CCCCOC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728109957 VSHMJKDXFMOJSC-UHFFFAOYSA-N 299.326 3.687 30 20 CHED C[C@]1(CNc2ncc(C#N)cc2Cl)CC1(Cl)Cl 828797894 DSVLOUDENQQBHE-SNVBAGLBSA-N 290.581 3.602 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1nccnc1-c1ccccc1 663869797 DEONAQIHNIPVAP-RDJZCZTQSA-N 295.386 3.537 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2C)c1 728248019 CBXOBKSGLZMLGP-KXBFYZLASA-N 289.378 3.857 30 20 CHED C=C1CC(c2noc([C@H]3CC(c4ccccc4C)=NO3)n2)C1 903742447 ONVPFMJFNPCHPG-OAHLLOKOSA-N 295.342 3.677 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC1CCC(CC(=O)O)CC1 902348946 AIKCLGRZMHVVIC-GYTBAZASSA-N 279.424 3.744 30 20 CHED CC(C)c1ccc(C[C@@H](C)NC[C@H](C#N)CCC#N)cc1 583867076 RAATXCVJQOWUJZ-WBVHZDCISA-N 283.419 3.774 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)[C@H](CC)c1ccccc1 498811360 JMZRTGWFRBBUAE-NVXWUHKLSA-N 289.419 3.967 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cncc(C(F)(F)F)c1 821035602 NNUUQOIOTVWQMZ-UHFFFAOYSA-N 287.281 3.746 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)Cc1ccc2ccccc2c1 495365930 QKYJITJEABPIND-OAHLLOKOSA-N 297.398 3.779 30 20 CHED CC[C@@H](NCC1(C#N)CCC1)c1cccc(Cl)c1O 903035566 RHSPNGUDAXEBCP-CYBMUJFWSA-N 278.783 3.780 30 20 CHED C#CCCOc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)C)cc1 823118185 QLKGPSBPPDGHMF-QGZVFWFLSA-N 299.414 3.739 30 20 CHED COc1ccc(Cl)c(NC(=O)CCCCCC#N)c1 588897415 PPOYYZTWANTTOC-UHFFFAOYSA-N 280.755 3.761 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc2ccn(CCC)c2c1 491769587 MWSYPTSBQMEIKK-CYBMUJFWSA-N 283.375 3.537 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(N2CCCC2)cn1 582683827 LUEFCHOKCMPDRU-KGLIPLIRSA-N 259.397 3.694 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(-c2ccco2)cc1F 491738518 FZNZJUAPLXTTEP-LLVKDONJSA-N 286.306 3.571 30 20 CHED CC(C)(C)C#CC(=O)NC1(C(C)(C)c2ccccc2)CC1 837688847 IRFHTRLFLICNEH-UHFFFAOYSA-N 283.415 3.663 30 20 CHED C/C=C\c1ccc(OC(=O)c2cccc(C#N)c2)c(OC)c1 900693084 YIQWPKQGJUJANG-HYXAFXHYSA-N 293.322 3.819 30 20 CHED CC[C@H](CC(=O)N(O)Cc1ccc(F)cc1)C(C)C 901374163 FOZPLUSPPZUNFC-CYBMUJFWSA-N 267.344 3.616 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccc(F)cc1)CC2 730945932 VWMAPJFNKCOWNA-UHFFFAOYSA-N 254.308 3.897 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2sccc2C)cc1 581047239 ZLBHWBSSBQCFJH-HNNXBMFYSA-N 298.411 3.956 30 20 CHED CCc1nc(C)c(C(C)=NNc2ccc(F)cc2)s1 735224106 MGHDLTCWTAGRQE-UHFFFAOYSA-N 277.368 3.989 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CF)C1 909271058 VRWUWVKZHHSDGC-KBPBESRZSA-N 294.418 3.554 30 20 CHED C=CCN(C(=O)Nc1ccccc1C(F)F)[C@@H](C)COC 667275470 JZUNAVDNNGFXFL-NSHDSACASA-N 298.333 3.679 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)OC1CCCC1 830750131 FZGHAEQPAVOOJD-IRXDYDNUSA-N 298.386 3.837 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccc(F)c(F)c2)no1 904370401 CTTRTGJTBGDHIN-UHFFFAOYSA-N 264.275 3.770 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccccc2[N+](=O)[O-])o1 732761778 KNJLSKVUSTYMDZ-ZYHUDNBSSA-N 285.303 3.757 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N(C1CC1)C1(C#N)CCC1 904817642 GBDQGRNCXRTFAL-AWEZNQCLSA-N 282.387 3.536 30 20 CHED C#CC(C)(C)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 733976625 MKLIOKPDFGSHPR-UHFFFAOYSA-N 282.387 3.607 30 20 CHED C=CC[C@@H](NC(=O)C1=CCC(C)(C)CC1)c1ccncc1 836698487 IFDMGTBRYRSFLD-MRXNPFEDSA-N 284.403 3.952 30 20 CHED C[C@H](OC(=O)[C@H]1CC[C@@H](C)[C@H](C)C1)C(C)(C)C#N 835246204 UMRWFICJYZLKIN-NDBYEHHHSA-N 251.370 3.540 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)CCCCCC#N 588150456 UFLGILXKVOJIIL-UONOGXRCSA-N 250.386 3.545 30 20 CHED C=CCN(CCCOCCc1ccccc1)C(C)C 917069227 LBRPDSPATOXWIY-UHFFFAOYSA-N 261.409 3.532 30 20 CHED C=C(C)[C@H](C)OC(=O)C1(Cc2ccccc2)CCOCC1 835299110 XOCPSELDMCXXBT-HNNXBMFYSA-N 288.387 3.534 30 20 CHED CC(=NNC(=S)Nc1ccc(C)c(C)c1)c1ccco1 915918850 CHWQTOMHZNNNDP-UHFFFAOYSA-N 287.388 3.607 30 20 CHED Cc1csc(NC(=O)C2CCC3(CC2)CC3)c1C#N 598836261 DYZJYIOZYATSGJ-UHFFFAOYSA-N 274.389 3.837 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]2c2ccccc2)C1 595090416 ONUZZYZAOSAUNM-XLNGHYISSA-N 254.377 3.605 30 20 CHED C=CCOC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 835079693 HLHCJVHZKSKMDE-VIFPVBQESA-N 258.239 3.695 30 20 CHED CC(=NN=C1CC[C@H](CCC(C)C)C1)c1cnccn1 834960618 WMXVGCYGXPOZBD-AWEZNQCLSA-N 272.396 3.878 30 20 CHED C#CCN(Cc1nc(-c2ccccc2)no1)C1CCCCC1 744212524 DYFXKDUMAYANFF-UHFFFAOYSA-N 295.386 3.505 30 20 CHED Fc1cccc(N2CCCC2)c1C=NNc1ccccc1 916247388 UUYFGOODQWSKGI-UHFFFAOYSA-N 283.350 3.872 30 20 CHED COc1ccc(CN(C)[C@H](C#N)c2ccccc2)cc1C 595304814 CSCQCHAJUUNINT-QGZVFWFLSA-N 280.371 3.700 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 593443341 FPWAFWUVLXIDCO-ZJUUUORDSA-N 299.201 3.590 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)ccc1O 840717579 RXBCBRPTBZDNMU-ALCCZGGFSA-N 296.370 3.684 30 20 CHED CC(C)CC1(NC(=O)CC2(C#N)CCCCC2)CC1 598404393 YWAZZUWHBIVBMC-UHFFFAOYSA-N 262.397 3.545 30 20 CHED CC1=C(C)C[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)CC1 842676860 OITFNYZWRSDLSW-ZIAGYGMSSA-N 293.370 3.876 30 20 CHED CC(=NN=C(C)c1cnccn1)c1ccc(F)c(Cl)c1 745209340 WAEVIGCHDLQAGL-UHFFFAOYSA-N 290.729 3.502 30 20 CHED C[C@@H](N=c1nc(C2CCCC2)[nH]s1)c1cccc(C#N)c1 591459781 ILMAWRYFYAMEOM-LLVKDONJSA-N 298.415 3.662 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1ccncc1 916259660 CRYRLIGZXKUAFZ-UHFFFAOYSA-N 279.265 3.937 30 20 CHED C=CCC[C@H](NCCc1ccc2c[nH]nc2c1)c1ccco1 671764084 PJSGHNGDPSOUPC-INIZCTEOSA-N 295.386 3.996 30 20 CHED C=C(CNC(=O)[C@H]1CCC[C@H](C)C1)c1ccccc1 672482814 IIRSOGNXTYUGBF-BBRMVZONSA-N 257.377 3.642 30 20 CHED COc1cccc(F)c1C(C)=NNc1cc(F)cc(F)c1 741805801 BRJZFDJJYNGDIT-UHFFFAOYSA-N 294.276 3.949 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2F)C1 596646239 TUNFKTAIQGBGSM-JTQLQIEISA-N 295.745 3.637 30 20 CHED N#CCCCCN1CCC2(C=Cc3ccccc3O2)CC1 595878774 OHHCPZCBGJKJSQ-UHFFFAOYSA-N 282.387 3.621 30 20 CHED C=CCC1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCCC1 590879679 CMYFPBTYBNIIGH-SFHVURJKSA-N 286.419 3.713 30 20 CHED CCCc1ccc(CN2CCC[C@](C)(C#N)C2)s1 598674239 OBSQHYPYVSWBPU-OAHLLOKOSA-N 262.422 3.826 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N1CCCC[C@@H]1C 594466954 DEQCJLSRVWXMDF-KBPBESRZSA-N 285.391 3.545 30 20 CHED CCOC(=O)c1ccc(SCCCCC#N)c(F)c1 592361452 DMJXBGQIPFLFFL-UHFFFAOYSA-N 281.352 3.788 30 20 CHED Cc1ccsc1C=NNCc1cccc2cccnc12 915963387 VCNYPQIQPZJUPW-UHFFFAOYSA-N 281.384 3.728 30 20 CHED CCN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)[C@@H](C)C#N 598359728 PKFWYQARGAHBBA-QWRGUYRKSA-N 298.308 3.569 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(O)nc1 918397618 IDMSEZIRWCYVSP-UHFFFAOYSA-N 278.396 3.610 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)c1 598473148 VXIPDGRMJHEYQV-GOSISDBHSA-N 296.414 3.991 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@H]1CCC[C@H](C)C1 749784904 CGYSMVVMZHZJKR-STQMWFEESA-N 287.359 3.689 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C2CC3(CCC3)C2)cc1 843778650 ZZXDYNMHJKZQJW-UHFFFAOYSA-N 282.387 3.822 30 20 CHED C=C(C)CCOC(=O)[C@H]1C[C@H]1c1sccc1C 748875543 HCVHMOJIGZDLJF-NEPJUHHUSA-N 250.363 3.669 30 20 CHED Cc1ccc2oc(C(=O)Nc3cc(C#N)ccc3O)cc2c1 748002942 UQZSGBDMWZURQJ-UHFFFAOYSA-N 292.294 3.571 30 20 CHED C[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)CC(C)(C)C#N 598587189 OVFVJZKQYJRRCK-DOMZBBRYSA-N 294.826 3.634 30 20 CHED CC(=NNC1CCCC1)c1ccc2cc(O)ccc2c1 748788458 RBQQHAXWNHAZPD-UHFFFAOYSA-N 268.360 3.802 30 20 CHED N#Cc1cccc(NN=Cc2cccc(OC(F)F)c2)c1 747046526 APWFZUDOOQOYBO-UHFFFAOYSA-N 287.269 3.606 30 20 CHED CC[C@H](C#N)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 845284948 FMFWXMXQYIRLMH-HZSPNIEDSA-N 264.413 3.505 30 20 CHED C=C(C)CCNc1cc2c(cc1OCC)C[C@@H](C)O2 685198790 JBZIZJYEROFCMN-GFCCVEGCSA-N 261.365 3.787 30 20 CHED N#Cc1ccc(C(=O)OCCC2(C#N)CCCCC2)s1 840255148 YUBFGXWJAXQKHX-UHFFFAOYSA-N 288.372 3.641 30 20 CHED C[C@@](CO)(NCCCCC1(C#N)CCC1)C1CCCCC1 929693699 CYRAPXJPUALTGN-KRWDZBQOSA-N 292.467 3.771 30 20 CHED CCOc1cccc(CCN[C@@H](C)CC(C)(C)C#N)c1 925572618 MHAQZQYBQGUTIA-AWEZNQCLSA-N 274.408 3.546 30 20 CHED CC(=NNc1nc(C(F)(F)F)cs1)C(C)C 755904957 QQYHNDVKBSUMKR-UHFFFAOYSA-N 251.277 3.606 30 20 CHED C=C[C@@](C)(CC)c1nc(CCc2ccc3c(c2)CCO3)no1 685374593 ZBMLVZFKIQWCPH-SFHVURJKSA-N 298.386 3.643 30 20 CHED CC(C)C[C@H](C)CC(=O)OCc1ccc(F)c(C#N)c1 758947817 UKDSDHNXNIBCRV-LBPRGKRZSA-N 277.339 3.813 30 20 CHED C#CC[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(C)C2)c1ccccc1 852229352 RQTZLBAQZPIQMY-BZSNNMDCSA-N 296.414 3.724 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H](CC)CC1)c1ccccc1 757762433 PNHNSCITFUSKCH-AEFFLSMTSA-N 298.430 3.973 30 20 CHED C=CC(C)(C)CCOC(=O)[C@@H]1CCC(=O)c2ccccc21 851300267 OXVKRVBNAIBUKN-OAHLLOKOSA-N 286.371 3.892 30 20 CHED CCCCCC[C@@H](C)NC(=O)N1CCC[C@H](CC#N)C1 851937048 FSDNQLOCLVFHBM-HUUCEWRRSA-N 279.428 3.681 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@H]2C[C@@H]2C1 852344757 XACBCSIGEONBLI-LSDHHAIUSA-N 264.413 3.564 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H](C)C(C)(C)C2)cc1 680612500 BNMQLVFRCWLBHY-AWEZNQCLSA-N 287.403 3.760 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1cc(F)ccc1F 755581727 QYZNYAOSQKDKON-ORCRQEGFSA-N 278.229 3.706 30 20 CHED N#CCc1ccc(NC(=O)c2cc(Cl)cs2)cc1 757791897 HYBFJZVBLUKYSG-UHFFFAOYSA-N 276.748 3.720 30 20 CHED C#CCOc1ccc(CNc2cnc(Cl)cc2C)cc1 758476681 PWEQQHULEBZKMT-UHFFFAOYSA-N 286.762 3.668 30 20 CHED C#CCCCCNC(=O)N1CCC(C2CCCCC2)CC1 758886002 OCAOCFYAMNORDW-UHFFFAOYSA-N 290.451 3.792 30 20 CHED C=C[C@H](OC(=O)[C@H](C)OCCCC)c1ccccc1 857658287 DQGMNDMFLTWMLP-ZFWWWQNUSA-N 262.349 3.662 30 20 CHED CCCCCOc1ccc(C(=O)O[C@@H](C#N)CC)cc1 753413800 PPIDAXSXMMOZOA-CQSZACIVSA-N 275.348 3.715 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(C)c(C)c1)OCC 756485369 COQZLJBPLGJUFT-OAHLLOKOSA-N 262.349 3.580 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1cc(C#N)ccc1OCC 857581462 RIMSCJMLSSFWLM-MRXNPFEDSA-N 292.354 3.814 30 20 CHED C#CC[C@H](N[C@H]1CS[C@@H](C(C)C)C1)c1ccccc1 754143058 HVHGMWAJYLCODK-IXDOHACOSA-N 273.445 3.871 30 20 CHED CC#CCCNC(=O)c1ccc(-c2ccc(F)cc2)cc1F 756136898 QRBWSNKFGZZNNA-UHFFFAOYSA-N 299.320 3.775 30 20 CHED C=C[C@H](C)NC(=O)c1sc2ccccc2c1Cl 757009832 NCHVTGQGENXPHV-QMMMGPOBSA-N 265.765 3.859 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)/C=C\SC)c1 751576543 BAFRGRDFYSWOHL-LUAWRHEFSA-N 297.379 3.671 30 20 CHED C#C[C@@H](CC)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 754680265 PNZGPQSNIONBLZ-VIFPVBQESA-N 295.169 3.616 30 20 CHED C=C[C@@H](OC(=O)[C@@H](C)C(C)(F)F)c1ccccc1 851452292 QIWAGVZFCAHUBF-ZYHUDNBSSA-N 254.276 3.748 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(OC(C)(C)C)c2)cnn1C 865221148 CYJVHLDYCLDLLC-KTKRTIGZSA-N 298.386 3.802 30 20 CHED C#CC[C@H](Cc1ccccc1)OC(=O)[C@@H]1C[C@H]1c1ccco1 860746874 HECWUEFRZVPBKD-BRWVUGGUSA-N 294.350 3.561 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)Cc2cccs2)cc1 768161287 VQNXAFNDHDDHGA-CYBMUJFWSA-N 286.400 3.671 30 20 CHED CC(=NOC1CCCC1)c1ccc(C(C)(C)O)cc1 767386453 RMXJSLOQNDXOGB-UHFFFAOYSA-N 261.365 3.597 30 20 CHED CC(C)n1nccc1/C=C1/CCc2c(F)cccc2C1=O 865226324 CMSXMRKXWNJKTO-BENRWUELSA-N 284.334 3.816 30 20 CHED CC(CSC(C)(C)C)=NNc1cccc(C)n1 863160217 VKVDXMKEYJBAPP-UHFFFAOYSA-N 251.399 3.710 30 20 CHED Cc1cc(C)c(Br)c(C(=O)OCCCC#N)c1 764622024 CSKQAAYRAWLFPF-UHFFFAOYSA-N 296.164 3.527 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@H]2CCC[C@H](C#N)C2)c1 860825562 KWEFOOZTIRQUDA-QSPRXWTASA-N 283.371 3.724 30 20 CHED C#CCCCN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 766895736 RUSJJVRQGNJULW-OAHLLOKOSA-N 271.404 3.709 30 20 CHED CC#CCCOC(=O)c1ccc(CCC(F)(F)F)cc1 760294364 IQZJSORTUCMNLE-UHFFFAOYSA-N 284.277 3.752 30 20 CHED C=CCCCOC(=O)c1ccc(OC)c(C2CC2)c1 769481452 PMDZNOOZAPZOLX-UHFFFAOYSA-N 260.333 3.696 30 20 CHED Cc1ccnc(NN=C2CCC(C(F)(F)F)CC2)c1 766025852 UYIRWCKFLGMRCC-UHFFFAOYSA-N 271.286 3.910 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccc(C)c1 767364407 ZCTQMUSOEPUEMB-UHFFFAOYSA-N 263.344 3.789 30 20 CHED Oc1nc2ccccc2cc1/C=N/C1Cc2ccccc2C1 762414180 XQAQOEBUDUNNLY-UDWIEESQSA-N 288.350 3.527 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1nc(C)cc(C)n1 769566764 JLNGWFOKHWPHHC-MFKMUULPSA-N 260.385 3.708 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)cnc1Cl 760656048 KZMNPSWFXDYRBJ-GFCCVEGCSA-N 285.778 3.766 30 20 CHED C#C[C@@H](OC(=O)CCc1cncc(C)c1)c1ccc(C)cc1 860963662 ZZNFTSCJNSEGGV-GOSISDBHSA-N 293.366 3.549 30 20 CHED C#CCN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1 763490862 DBYVDTCYADXIPY-UHFFFAOYSA-N 290.366 3.983 30 20 CHED CC[C@H](C(=O)OCc1cccc(C#N)c1)c1ccc(F)cc1 764655869 ZXLGYPSRIGTDSE-KRWDZBQOSA-N 297.329 3.934 30 20 CHED N#CC1(COC(=O)c2cc3ccc(Cl)cc3[nH]2)CCC1 768097220 WGJBEFNRKFCXAU-UHFFFAOYSA-N 288.734 3.672 30 20 CHED N#C[C@@H](OC(=O)C(F)(F)c1ccccc1)C1CCCCC1 776374063 HVUDKUGNQKBPET-CQSZACIVSA-N 293.313 3.794 30 20 CHED N#CCOc1cccc(NC/C=C/c2ccccc2)c1 779589149 XGDIELIVZNJNMP-VMPITWQZSA-N 264.328 3.714 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 770344889 CMGDFAHQBBNROI-CQSZACIVSA-N 297.402 3.783 30 20 CHED CC(CCOCc1ccccc1)=NNc1ccc(F)cn1 872350426 RYCPOIQBGJXFNZ-UHFFFAOYSA-N 287.338 3.615 30 20 CHED CC(=NOC1CCCCC1)c1cc(F)ccc1O 777458190 ABRNGYGKFQQNOJ-UHFFFAOYSA-N 251.301 3.605 30 20 CHED C#CC(C)(C)NC(=O)c1sc(-c2ccccc2C)nc1C 775854741 UUTSMCGWYGKIFT-UHFFFAOYSA-N 298.411 3.569 30 20 CHED C#CCCCN[C@@H](CC(C)C)c1ccccc1OC 775546082 QKWFTLYUNDFASJ-INIZCTEOSA-N 259.393 3.785 30 20 CHED CC(C)(C(=O)OCC1(C#N)CC1)c1cccc(Cl)c1F 772488410 ZDRDFLAWSHKTLI-UHFFFAOYSA-N 295.741 3.604 30 20 CHED C#CCCCCCCN1CCC[C@H]1c1c(C)n[nH]c1C 877529968 APUPEYDRKBEERM-INIZCTEOSA-N 273.424 3.747 30 20 CHED CC(C)(C)c1cc(N2CCC[C@H](CC#N)C2)nc(Cl)n1 872594049 LNMGAISAZSGPTM-LLVKDONJSA-N 292.814 3.558 30 20 CHED C#CCCCCCC(=O)N(C)Cc1cccc(Cl)c1 779737421 OOAAAMFBVRFECD-UHFFFAOYSA-N 277.795 3.882 30 20 CHED C=CC(C)(C)CC(=O)N1CCCC[C@@H]1c1nccn1CC 879850647 CVXIWCKMQJDHGE-CQSZACIVSA-N 289.423 3.559 30 20 CHED FCc1ccc(CON=Cc2cccc(F)c2)cc1 777540207 XTEPMNCAUTZVGI-UHFFFAOYSA-N 261.271 3.846 30 20 CHED C#CC[C@@H](NC(=O)[C@H]1CCCC1(C)C)c1ccccc1 772194053 ZQFBQGNMRRBICB-HZPDHXFCSA-N 269.388 3.694 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(-c2cn[nH]c2)cc1 1123783085 OIIWZCOLEHFLKE-ZDUSSCGKSA-N 283.375 3.551 30 20 CHED C#CC[C@@H](N[C@@H]1CCc2ccccc2C1)c1ccccc1 773118100 YMQBTUDOHRDNCZ-WOJBJXKFSA-N 275.395 3.898 30 20 CHED Cc1ccc(N[C@@H]2CCCc3cn(C(C)C)nc32)c(C#N)n1 882171506 WVKADJKLPZORDV-OAHLLOKOSA-N 295.390 3.529 30 20 CHED CC1(C)CCCC1=NNc1ccc2c(=O)[nH]ccc2c1 789085567 JCVDLERIFIZKNT-UHFFFAOYSA-N 269.348 3.506 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1ncncc1Cl 780280476 PVNIMKBXXQDWKL-UHFFFAOYSA-N 288.782 3.859 30 20 CHED CC1(C)C(=NOCC(F)F)C[C@@H]1Oc1ccccc1 789051601 VIKGAKBLRLTPHL-LBPRGKRZSA-N 269.291 3.502 30 20 CHED Cc1ccc(F)c(C(=O)OCCCC(C)(C)C#N)c1 783412332 XYTARFGAGFQKOK-UHFFFAOYSA-N 263.312 3.621 30 20 CHED CCN(CCc1cccs1)Cc1cccc(C#N)c1 504005718 LGURWFMIAUQRPE-UHFFFAOYSA-N 270.401 3.684 30 20 CHED FC(F)(F)CON=Cc1c(Cl)ccc2cccnc12 781127754 LTHHFLVZQJOTDZ-UHFFFAOYSA-N 288.656 3.801 30 20 CHED CCC[C@H](C(=O)Nc1cccc(OCC#N)c1)C(C)C 270608687 CDWPOLNZRZWAJM-HNNXBMFYSA-N 274.364 3.600 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1occc1Br 782289373 WWTTYNULZNKDAT-LLVKDONJSA-N 285.185 3.544 30 20 CHED CC(C)(C#N)CCCOC(=O)CCCOc1ccccc1 780004371 MNJJRNLELXZWFJ-UHFFFAOYSA-N 289.375 3.719 30 20 CHED COc1cc(F)cc(NN=Cc2sccc2Cl)c1 782248659 DCBRPDOMEMSYKH-UHFFFAOYSA-N 284.743 3.995 30 20 CHED C=CCOC(=O)c1cccc(CN(C)Cc2ccccc2)c1 784835972 MUGNKTVIRCXMDX-UHFFFAOYSA-N 295.382 3.661 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1csc(Cl)c1 787144335 IEZNRJBYKPJXOV-UHFFFAOYSA-N 294.763 3.936 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CC(C)(C)C)c1ccccn1 891494989 UTJIKTHANVPOBJ-UHFFFAOYSA-N 297.358 3.548 30 20 CHED CC(C)(C)c1ccc(NC(=O)C2(C#N)CCC2)cc1 83794826 OCTBJHPEFFXDJZ-UHFFFAOYSA-N 256.349 3.616 30 20 CHED C#CCC1(C(=O)N[C@H](C)CCCC=C)CCCCC1 788238934 WZUSWQASPXMDOE-OAHLLOKOSA-N 261.409 3.821 30 20 CHED C=C1CCN(Cc2nc(Cl)ccc2Cl)CC1 274280503 CYKGLXIPSQDYAA-UHFFFAOYSA-N 257.164 3.540 30 20 CHED C#CCCCc1nnc(N[C@@H](CC)c2cccs2)o1 899253693 MZUJEUBHRMVFTD-NSHDSACASA-N 275.377 3.650 30 20 CHED COC[C@@H](Sc1snc(C)c1C#N)c1ccccc1 897003085 MEVATDSVTDSJLN-CYBMUJFWSA-N 290.413 3.803 30 20 CHED CCc1onc(C)c1/C=C1\Cc2c(F)cc(F)cc2C1=O 899364348 SHYLDSGYWQAYLR-RUDMXATFSA-N 289.281 3.646 30 20 CHED CC(=NNc1nc2ccccc2cc1C)[C@@]1(C)CCCO1 782267436 IGMSIYZIYXAOET-QGZVFWFLSA-N 283.375 3.900 30 20 CHED CCCc1ccc(C(=O)Nc2cc(C#N)cc(C)n2)s1 891294712 RXXLLOWWFXYIDM-UHFFFAOYSA-N 285.372 3.528 30 20 CHED Cc1ccc(C#N)cc1NCc1cc2cnccc2o1 1202716159 YCRXGMSHYAPWFW-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CSc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1 799299824 DDPDAIVHHIJSCP-UHFFFAOYSA-N 282.368 3.841 30 20 CHED CCCCCCCN1CC[C@H](CN(C)CC2CC2)C1 746670441 ZYIYGKJXBHXKMW-QGZVFWFLSA-N 266.473 3.621 30 20 CHED C=CCCCCN1CCC(OC2CCCC2)CC1 649273619 MPDPHVIAMOFYBQ-UHFFFAOYSA-N 251.414 3.766 30 20 CHED C=CCCCCN(C)CC(=O)Nc1cccc(C)c1C 649242154 XBPVXROWCSFCEB-UHFFFAOYSA-N 274.408 3.530 30 20 CHED C[C@@H]1CC=CC[C@@H]1COC(=O)/C=C\c1ccccc1C#N 799638718 UDWHMERRAXOZPI-JGYUQMGLSA-N 281.355 3.717 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C\c1ccc(Cl)s1 798552066 XERJQFRMFLUHTQ-RNKPRXRFSA-N 269.797 3.886 30 20 CHED Clc1sccc1C=NNCCCc1ccccc1 790162418 WYPRNZJAGRLVJY-UHFFFAOYSA-N 278.808 3.958 30 20 CHED C=C(CC)COC(=O)[C@@H](OC(C)C)c1ccccc1 796410933 QZTMITLIJLZXOC-HNNXBMFYSA-N 262.349 3.662 30 20 CHED CC(=NNCc1c(Cl)cccc1Cl)c1cnoc1C 793113930 HUYNFQIUTZWNMW-UHFFFAOYSA-N 298.173 3.804 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1cccc(C#N)c1F 796325615 NXRIAXZMFHAWCK-MRXNPFEDSA-N 277.339 3.957 30 20 CHED Cc1ccc([C@H](C)NCCOc2cccc(C#N)c2)s1 754654641 DUVZXTASNSIJOZ-ZDUSSCGKSA-N 286.400 3.658 30 20 CHED C=CCN(CC1CCC(C(F)(F)F)CC1)[C@@H](C)COC 661239885 JPWCBSOCEYXDBI-HSBZDZAISA-N 293.373 3.878 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)[nH]c1C 1142234051 PKFQGUMBIIAICX-UONOGXRCSA-N 287.407 3.531 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCN(c2ccccn2)C1 793548185 JXBJSXBDMIGWDM-DLBZAZTESA-N 287.451 3.775 30 20 CHED C=CCC[C@H](NC[C@]1(O)CCc2ccccc21)c1ccco1 796842380 ZCMLZKHZBYFKNF-PKOBYXMFSA-N 297.398 3.711 30 20 CHED COC(=O)c1csc(C(C)=NNc2ccccc2F)c1 794889492 YWNAMGKXGJIMGE-UHFFFAOYSA-N 292.335 3.510 30 20 CHED O=[N+]([O-])c1ccc(C=NOCCSC2CCCCC2)o1 799960794 PHHOEZROLGYGOS-UHFFFAOYSA-N 298.364 3.604 30 20 CHED CC[C@@H](C)NN=C(C)c1sc(C(C)(C)C)nc1C 790189584 PLQXMNWNLRDDTG-SECBINFHSA-N 267.442 3.861 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1 798008637 OZKNOJMULLBNEY-ZWKOTPCHSA-N 299.414 3.641 30 20 CHED CCN(Cc1cc(C)nc2ccccc12)C[C@H](C)C#N 74351683 HKVQFCMTJRUGJF-CYBMUJFWSA-N 267.376 3.525 30 20 CHED Cc1nc2cc(N[C@@H]3CC[C@H](C#N)C3)ccc2s1 799723349 GBIDMAULYLKYJZ-WDEREUQCSA-N 257.362 3.709 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCC(C)(C)C)c1 737541390 BUSDHWWQEVICIZ-UHFFFAOYSA-N 257.377 3.847 30 20 CHED Cc1ccc(-c2nc(/C=C/C(=O)c3cc(C)on3)co2)cc1 798229798 DOQYOVMJNHSOTC-BQYQJAHWSA-N 294.310 3.843 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1F 1219050044 NAKBICDOPQPKNM-QWHCGFSZSA-N 289.354 3.645 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC[C@H](C3CCC3)C2)n1 1307142810 USTFWASTERIACT-HNNXBMFYSA-N 283.419 3.877 30 20 CHED Cc1ccnc(SCc2ccc(OCC#N)cc2)c1 1166805827 TWZFCUDPRAHXIF-UHFFFAOYSA-N 270.357 3.585 30 20 CHED CCOC(=O)C(F)(F)[C@H]1CCCC(=NOC(C)(C)C)C1 1319582774 FOUWVVXNAVDRCH-JTQLQIEISA-N 291.338 3.546 30 20 CHED CN(C(=O)CC#Cc1ccccc1)C1CCCCCC1 1319640526 NBHRGIVEUPKPGQ-UHFFFAOYSA-N 269.388 3.609 30 20 CHED C=CCN(C(=O)c1[nH]c2ccc(C)cc2c1Cl)C1CC1 1319784118 LOPCGQZKBFHNNW-UHFFFAOYSA-N 288.778 3.920 30 20 CHED CN(C[C@@H]1CC1(C)C)c1ccc(C#N)c(Br)c1 1655710712 BVUZERNDDPIIEU-NSHDSACASA-N 293.208 3.803 30 20 CHED CCSCC(=NOC(C)(C)C)c1ccccc1 1327090482 HSFRSUZWTDQOQV-UHFFFAOYSA-N 251.395 3.959 30 20 CHED C=CCCc1ccccc1NCc1c(C)cnn1COC 1335498200 AJQWPPLEIPHJHI-UHFFFAOYSA-N 285.391 3.526 30 20 CHED C=CCOc1ccc(OC(=O)CC(C2CC2)C2CC2)cc1 1330113082 KLDCJBDUYOLFQD-UHFFFAOYSA-N 286.371 3.983 30 20 CHED C=C(C)CCC(=O)Nc1cnc(C)c(Br)c1C 1337437016 TVOLONSCMLZEDE-UHFFFAOYSA-N 297.196 3.756 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CCOc3ccc(F)cc32)n1 1336890037 WVEMMSFEBDRWQR-HNNXBMFYSA-N 297.333 3.645 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC[C@@H](C#N)CCC#N 1335351900 QZOUSLGQEIFHPR-RBSFLKMASA-N 261.413 3.624 30 20 CHED N#C[C@@H](OC(=O)c1ccc(CF)cc1)C1CCCCC1 1343395750 XCESOBBTOTWMQT-OAHLLOKOSA-N 275.323 3.785 30 20 CHED N#CCOc1ccc(NCc2ccc3occc3c2)cc1 1345399299 DTKRNMLHWUIRAW-UHFFFAOYSA-N 278.311 3.947 30 20 CHED C=C(C)CN(CC)CCSc1ccc(F)cc1 215895671 CHYLWZNPKQFZMJ-UHFFFAOYSA-N 253.386 3.816 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C3CC=CC3)n2CC)C1 1352799185 WIRGGQHDSMKTRL-AWEZNQCLSA-N 286.423 3.524 30 20 CHED N#Cc1ccc(CNC(=O)c2ccc(C3CC3)cc2)c(F)c1 1360075256 WJWAIJRYGQAMMF-UHFFFAOYSA-N 294.329 3.505 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2ccc(CC#N)cc2)[C@@H]1C 1527767173 IFJUQVLHRCCZSN-IOASZLSFSA-N 271.360 3.734 30 20 CHED Cc1ccc(CC(C)(C)Nc2cccc(C#N)n2)cc1 1458448576 WPBQOFXXGDRFBJ-UHFFFAOYSA-N 265.360 3.695 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)c(C(C)C)n1 1528456773 RVLSFBYGNSRJAN-UHFFFAOYSA-N 297.333 3.777 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1cc(C(=O)O)cs1 1600430147 KGPDYDISXGIWPO-HYXAFXHYSA-N 290.315 3.790 30 20 CHED O=C(O)Cc1ccc(NN=C2CC[C@H]2c2ccccc2)cc1 1608780245 BPTZKIRIDBOTAS-INIZCTEOSA-N 294.354 3.659 30 20 CHED CC[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)O 1609930725 GUOWYKVZYRNBLN-MRXNPFEDSA-N 296.326 3.626 30 20 CHED CC[C@@H]1CCC[C@@H](Nc2c(C#N)cccc2C#N)C1 1472701891 IELKYZXHIWWRPR-IUODEOHRSA-N 253.349 3.811 30 20 CHED C[C@H](Nc1cncc(C#N)n1)c1cccc2ccccc12 1611708236 QJZKLGLQSLJNTB-LBPRGKRZSA-N 274.327 3.675 30 20 CHED CCC1(CNC(=O)Nc2cc(C)cc(C#N)c2)CCC1 1625598371 IWMXIEFDKGYACS-UHFFFAOYSA-N 271.364 3.569 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(F)cc(C#N)c2)c(C)c1 1624287793 RXHQUPKWBUWDJW-UHFFFAOYSA-N 282.318 3.875 30 20 CHED CC[C@@H]1CCC[C@H]1CNc1c(C#N)nnc2ccccc12 1651861447 ZEBSZMMVBOFLGC-OLZOCXBDSA-N 280.375 3.740 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(Cl)cc(C(=O)O)c1 1588672855 AIFIBGXDTMRTLE-UHFFFAOYSA-N 281.739 3.579 30 20 CHED CC(C)(C#N)CCCCN1CC(C)(C)OC(C)(C)C1 232786514 KSXSRRVMLLKGEE-UHFFFAOYSA-N 266.429 3.596 30 20 CHED C[C@H]1Cc2ccccc2C(=O)/C1=C/c1cccc(C(=O)O)c1 1776665872 HLGGVRDPWJUUGA-OOIIIRTPSA-N 292.334 3.843 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)C1CCCCC1 1776061681 JIKYVVXNCJSBKJ-UHFFFAOYSA-N 278.327 3.892 30 20 CHED Cc1cc2c(s1)C/C(=C/c1cccc(CC(=O)O)c1)C2=O 1777428015 BJMZBGXDINHCDG-QPEQYQDCSA-N 298.363 3.506 30 20 CHED CCc1ccccc1C=NNc1cccc(C(=O)O)c1C 1776089510 VZVVLBMZZAOLOW-UHFFFAOYSA-N 282.343 3.702 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1ncc(C)s1 1776786700 CQXRFTOGGUUMOW-ZDUSSCGKSA-N 298.452 3.745 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccc(C#N)cc2F)n1 11289344 CPQYXUZPWQULLY-UHFFFAOYSA-N 297.358 3.873 30 20 CHED N#Cc1cccc(NCc2ccc(Br)o2)c1 19922016 MZOMDOMNDUMPSW-UHFFFAOYSA-N 277.121 3.526 30 20 CHED C=CCN(C)C(=O)c1cccc(OC2CCCCC2)c1 161624540 NTFVQNNABBCWOP-UHFFFAOYSA-N 273.376 3.656 30 20 CHED CN1C(=O)CCc2cc(C(=O)/C=C/c3cccs3)ccc21 162735798 OKAFIBUGMOFCNF-SOFGYWHQSA-N 297.379 3.553 30 20 CHED CCCCn1ncc(NC(=O)Nc2ccc(C#N)cc2)c1C 162795224 FNUYGJWBUQFEIA-UHFFFAOYSA-N 297.362 3.507 30 20 CHED N#Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 162897552 HMPWKFUPGUVFSY-RCCFBDPRSA-N 296.414 3.781 30 20 CHED C[C@@H]1C[C@@H](C)CN(Cc2ccc(N(C)CCC#N)cc2)C1 158018875 XWOALHKMAHLPAM-HZPDHXFCSA-N 285.435 3.514 30 20 CHED CCN(CCC#N)[C@H](C)CCSc1ccccc1 153524600 AWFCHBAYWMQYJV-CQSZACIVSA-N 262.422 3.793 30 20 CHED Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1F 153390084 RZBMICBOONMIFO-KRWDZBQOSA-N 296.345 3.909 30 20 CHED N#Cc1ccc(CNc2ccc(N3CCCC3)c(F)c2)o1 156953174 DDAPTMORUAQZTL-UHFFFAOYSA-N 285.322 3.503 30 20 CHED C=CCCC(=O)N1C[C@H](C)CSc2ccccc21 159523083 QOBCTWBSSYITIA-LBPRGKRZSA-N 261.390 3.728 30 20 CHED CSc1ccc(/C=C2/Cc3c(O)cccc3C2=O)cc1 209662843 FXCZOYCGHPGQIU-XFXZXTDPSA-N 282.364 3.937 30 20 CHED C#CCCOC(=O)N[C@H](CC)c1cccc(Cl)c1 858901728 JIGKYUFCJRVPFT-CYBMUJFWSA-N 265.740 3.541 30 20 CHED Cc1nnc(N[C@H](C)c2ccc(Cl)s2)c(C#N)c1C 42373700 LCWVDIJSWVBYNI-SECBINFHSA-N 292.795 3.853 30 20 CHED N#Cc1cccc(CNC2CC(c3ccccc3)C2)c1 37748845 NVPOCNHTEVHOEW-UHFFFAOYSA-N 262.356 3.594 30 20 CHED Cc1cc(C#N)ccc1Oc1ccc([N+](=O)[O-])cc1 38080148 BXOUVRRWOYJQRX-UHFFFAOYSA-N 254.245 3.567 30 20 CHED CC(C)c1cccc(NC(=O)C2(C#N)CCCC2)c1 44293332 CZNCNPQACRUSRM-UHFFFAOYSA-N 256.349 3.832 30 20 CHED N#CC1(C(=O)Nc2nc3ccccc3s2)CCCCC1 44385198 SPJMQLIOMHXYIK-UHFFFAOYSA-N 285.372 3.709 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1Br 193251810 SAIWBRASAACQER-UHFFFAOYSA-N 295.180 3.655 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CCCC2(C)C)c1 308189840 IPNDKCYVRQJSDF-CQSZACIVSA-N 256.349 3.632 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C1CC(C)(C)C1 505272942 MNBNZCUYOGRKGL-UHFFFAOYSA-N 257.377 3.637 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCC(C)(C)CC#N 315617111 OSTHNTKCVUPCHI-ZDUSSCGKSA-N 252.402 3.505 30 20 CHED CC(C)[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 444753784 JNXUMTZKLNYGLX-AWEZNQCLSA-N 260.356 3.565 30 20 CHED C=CCC[C@H](O)CN(Cc1ccccc1)C(C)(C)C 474286880 VIJOOYHTNNTUPL-INIZCTEOSA-N 261.409 3.614 30 20 CHED CC[C@@H](CN[C@H](C)CC(C)(C)C#N)CC(F)(F)F 829178940 JNHBGRXDQGCWSI-GHMZBOCLSA-N 264.335 3.883 30 20 CHED C=C(C)CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 103481435 IDMFDAKHFJQLDZ-OAHLLOKOSA-N 283.375 3.840 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)CCCCC 55891203 XQSAIUSNKAFKIL-UHFFFAOYSA-N 275.392 3.790 30 20 CHED CC(C)(CC(=O)N(CCC#N)CC1CC1)c1ccccc1 103437731 OLJNODYIQXRKIS-UHFFFAOYSA-N 284.403 3.507 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1cc(C#N)cs1 175872400 ABFBJBREAYLLTR-KBPBESRZSA-N 280.462 3.774 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(F)c2C)CC1 175018499 OEZDQRFUQLBUIK-UHFFFAOYSA-N 262.328 3.564 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)CCC(C)C 55891505 NEOGHKDGFZGKKC-UHFFFAOYSA-N 275.392 3.646 30 20 CHED C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccnc1 173882717 GSQFUWPDQCYALA-CYBMUJFWSA-N 293.370 3.625 30 20 CHED N#Cc1cccc(OCc2cc(Cl)c3c(c2)OCO3)c1 53399460 LXSYPRBAFNLKNS-UHFFFAOYSA-N 287.702 3.519 30 20 CHED CCCc1ccc(C(=O)N[C@H](C#N)c2ccccc2F)cc1 108802572 UAHDHFJAGYSACG-QGZVFWFLSA-N 296.345 3.773 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 116853105 WMDQKFJWUAKZRV-MNOVXSKESA-N 283.824 3.901 30 20 CHED CC(C)CCN(CCC#N)C[C@H](O)c1ccc(Cl)cc1 173538671 YKBGEDAAGXILEH-INIZCTEOSA-N 294.826 3.635 30 20 CHED C=CCCCC(=O)NCC1(c2ccccc2)CCC1 175170240 CKBWEOQVSUQANX-UHFFFAOYSA-N 257.377 3.581 30 20 CHED C=CCC[C@@H](NC(=O)c1cnc(C)s1)c1ccccc1 178739624 JFQFLVYOKJHJOG-CQSZACIVSA-N 286.400 3.889 30 20 CHED C=CC[C@@H](C)NCc1cc(Cl)cc(Cl)c1O 116927218 JZSBNOMIFQEQSP-MRVPVSSYSA-N 260.164 3.753 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)c2ccccc2Cl)n1 308177076 ITJGROJJILZATQ-SNVBAGLBSA-N 286.766 3.737 30 20 CHED CCc1cccc(Oc2cc(C#N)ccc2[N+](=O)[O-])c1 302231861 YWKYUNQXVZLJJY-UHFFFAOYSA-N 268.272 3.821 30 20 CHED C=CCOc1ccc(CNCc2cccc(OCC)c2)cc1 61019037 JJDGZTNMRNOBKS-UHFFFAOYSA-N 297.398 3.940 30 20 CHED CCCCNC(=O)[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 118446477 XTEIYHZYJSIAMI-STQMWFEESA-N 290.432 3.657 30 20 CHED C[C@H](OC(=O)C1(c2ccccc2)CC1)c1ccc(C#N)cc1 175796941 CFLWVIDZODWORW-AWEZNQCLSA-N 291.350 3.894 30 20 CHED C[C@@H](c1cccc(Cl)c1)S(=O)(=O)CCCCC#N 119543573 JGPKEYDPBRSKJX-NSHDSACASA-N 285.796 3.510 30 20 CHED C=CCOc1ccc(Oc2ccccc2[N+](=O)[O-])cc1 301478238 UPQZFMUOKPLCPD-UHFFFAOYSA-N 271.272 3.952 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccccc1 176471877 WYIVNJCWJSAPJO-SNVBAGLBSA-N 257.314 3.538 30 20 CHED CCSc1ccc(C(=O)Nc2cc(C#N)ccc2C)cn1 68674512 NXROZHYYUALFHK-UHFFFAOYSA-N 297.383 3.626 30 20 CHED C=CC1CCN(C(=O)c2cc(SC)ccc2C)CC1 110969705 KUJGZLCQLCARQT-UHFFFAOYSA-N 275.417 3.755 30 20 CHED C#Cc1cccc(N(CCCC#N)Cc2ccccc2)c1 303509917 WRUMDVDWNPULSB-UHFFFAOYSA-N 274.367 3.978 30 20 CHED CC(C)(C#N)CCCSc1ncn(-c2ccccc2)n1 177231153 JCSPFTRJYIZJHH-UHFFFAOYSA-N 286.404 3.689 30 20 CHED C=CCCSc1nnc(Cc2cccs2)n1C1CC1 128686832 IAQMPOTVXFFEMG-UHFFFAOYSA-N 291.445 3.934 30 20 CHED C=CCNC(=O)[C@H](C)SCc1ccc2ccccc2c1 176539253 XFJNOCUJOLIHNI-ZDUSSCGKSA-N 285.412 3.764 30 20 CHED CC(C)(CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 67036650 SYERJOAYTAYNNW-UHFFFAOYSA-N 292.382 3.542 30 20 CHED Cc1cccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1Cl 122589780 SHDKGDKNCMZPLQ-BDJLRTHQSA-N 290.794 3.851 30 20 CHED C=C(C)[C@H](NC(=O)C=C(C)C)c1ccc(F)c(F)c1 186055189 GKWOKXLKBGYOFM-HNNXBMFYSA-N 265.303 3.664 30 20 CHED C=CCCCCNC(=O)N1CCc2cc(F)cc(C)c2C1 409747350 FTQYXXNERGZKIU-UHFFFAOYSA-N 290.382 3.558 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H](C)Cc1cccc(Cl)c1 120228677 NIADGUZOTSLUEE-CHWSQXEVSA-N 292.810 3.527 30 20 CHED N#CCSCCCN1CCCSc2ccccc21 72513399 BZNCRADXOQMNDV-UHFFFAOYSA-N 278.446 3.636 30 20 CHED COc1cccc2cc([C@@H](C)NCCCCC#N)oc12 181684280 GHIMHMUHKQRMFI-GFCCVEGCSA-N 272.348 3.786 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1cccs1 188409471 OTPXEWNEOZLSRY-OAHLLOKOSA-N 265.422 3.744 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1CCC[C@@H]1C 189908715 QERIACOYFYTAEK-KBPBESRZSA-N 264.413 3.744 30 20 CHED N#C[C@H](C(=O)c1ccc(F)c2ccccc12)c1ccccn1 319171944 JBKSGTZSLZQZJX-HNNXBMFYSA-N 290.297 3.864 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)C1(c2ccccc2)CCCC1 505990294 BMPQZTJNJCSELH-OAHLLOKOSA-N 298.430 3.943 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1C 182631565 ITBZIHYTMDUODC-AWEZNQCLSA-N 297.402 3.655 30 20 CHED Cc1ccc(-c2nnc(S[C@H](C)CCC#N)n2C)cc1 188203672 KSNWMYCNVQKYPS-GFCCVEGCSA-N 286.404 3.575 30 20 CHED C#CCSc1nnc(-c2ccco2)n1C1CCCCC1 186645566 GYOAXPOIEQLDON-UHFFFAOYSA-N 287.388 3.769 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(C)cc2)c1 33410613 NHORRVWNYQDPID-KHPPLWFESA-N 252.313 3.900 30 20 CHED C[C@H](C#N)CN(C)Cc1ccccc1OCc1ccccc1 509826614 IRGJCXFVKNGOFY-MRXNPFEDSA-N 294.398 3.857 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CCCC1CCCCC1 120700941 LVUHLHQTMXMDQN-INIZCTEOSA-N 264.413 3.791 30 20 CHED C[C@@]1(c2ccccc2)CC[C@H](N2CCC(C#N)CC2)C1 187085785 TVAPLXZAGQWWAP-ZWKOTPCHSA-N 268.404 3.732 30 20 CHED CN(CCC1CCCCC1)C(=O)c1cccc(F)c1C#N 188944063 FJTCHKXZTVMYDR-UHFFFAOYSA-N 288.366 3.740 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCn2ccc3ccccc32)C1 185880405 DOWKCETTYLMVFZ-DOTOQJQBSA-N 281.403 3.703 30 20 CHED C=C(C)[C@H](NC(=O)Cc1ccoc1)c1ccc(F)c(F)c1 186033593 GCOBFYOMQHAVBD-INIZCTEOSA-N 291.297 3.534 30 20 CHED CC#CCCN1CCC[C@H]1c1nc2ccccc2s1 155067676 FISHXETXJCQLOR-AWEZNQCLSA-N 270.401 3.847 30 20 CHED COc1cccc(C(=O)/C=C\c2sccc2C)c1 33410807 IWWSEKAJEGXLNY-SREVYHEPSA-N 258.342 3.961 30 20 CHED COc1ccc(O)c(CN[C@H](CCC#N)c2ccccc2)c1 182655936 CRUGYUQKDHNMDB-QGZVFWFLSA-N 296.370 3.535 30 20 CHED CC(C)[C@@H](C)Sc1ccc(C#N)cc1[N+](=O)[O-] 78588922 VTAKKMNRVCFWEF-SECBINFHSA-N 250.323 3.603 30 20 CHED C=CCOCCCC(=O)N[C@H](CC(C)C)c1ccccc1 79399664 PEXOLMWUXRZWDK-QGZVFWFLSA-N 289.419 3.873 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCCSCC 508103568 OIQKHKOFARXYNW-UHFFFAOYSA-N 292.448 3.527 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](C)Cc1ccc(OC)cc1 188550686 JUBSYMSZJJLYPE-RDTXWAMCSA-N 289.419 3.592 30 20 CHED Cc1ccccc1SCCC(=O)Nc1cccc(C#N)c1 37665748 IWWAYCMCOPVYME-UHFFFAOYSA-N 296.395 3.988 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc2c(c1)COC2 121445145 QSOIJDLSIVWPBS-UHFFFAOYSA-N 295.338 3.534 30 20 CHED CCCCC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 508200922 IWWXOOBULMRPSD-UHFFFAOYSA-N 286.253 3.586 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC2CCC2)c(F)c1 185772159 PKGHCLCDKNRMPC-UHFFFAOYSA-N 289.350 3.889 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](C)CCCOC)c1ccccc1 183385677 RKUXIUXJZXNTRN-RDJZCZTQSA-N 289.419 3.873 30 20 CHED C=CCC[C@H](CC)Nc1ccc(F)cc1OCC#N 132912456 NTQOEBJDIIZCRB-ZDUSSCGKSA-N 262.328 3.885 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc(Cl)c(Cl)c1 417622903 HXVUGMHBMOZDKA-SNVBAGLBSA-N 288.174 3.502 30 20 CHED Cc1cc(CNC(=O)C2(C#N)CCCCC2)ccc1Cl 183824370 PCPULGXMQRYPRT-UHFFFAOYSA-N 290.794 3.739 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)C[C@H](C)c1ccccc1 508827469 QVMOPPKPRMYTLM-HNNXBMFYSA-N 298.434 3.827 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)o1 73977303 FRYJJIJKGQXZKA-LBPRGKRZSA-N 280.283 3.528 30 20 CHED CCC[C@@H](Nc1ncccc1C#N)c1ccccc1 78329798 RSZZCDCLOLMKJF-OAHLLOKOSA-N 251.333 3.907 30 20 CHED Cc1cc(C)c(C#N)c(S[C@H](C)C(F)(F)F)n1 134575314 CLBQIOCYPXJFOK-MRVPVSSYSA-N 260.284 3.613 30 20 CHED CCCN(CCc1cccc(F)c1)[C@H]1CC[C@H](C#N)C1 411284112 RQBQSHZEXOBBNS-RDJZCZTQSA-N 274.383 3.772 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cnc2ccsc2c1 414159445 BJYHRYAQGWCFAV-LLVKDONJSA-N 273.405 3.887 30 20 CHED Cc1sc2ncnc(NCC(C)(C)CC#N)c2c1C 413405889 JXCOULGTXHAJIF-UHFFFAOYSA-N 274.393 3.660 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(Cl)cc(Cl)c1 80161757 VDOXACNTYBJEFX-UHFFFAOYSA-N 286.162 3.761 30 20 CHED C[C@@H]1CCCC[C@@H]1/N=C(/O)[C@@H]1CCC(=O)c2cccn21 329833994 GSJOQVFPYFQUSS-DYEKYZERSA-N 274.364 3.541 30 20 CHED C[C@H](C#N)CNc1nc(-c2ccccc2)c2ccccc2n1 80757646 OAIZRASLEYNKHG-CYBMUJFWSA-N 288.354 3.868 30 20 CHED COc1cccc([C@H](C)CC(=O)Oc2ccc(C#N)cc2)c1 84513695 RIMGMTAFDJEOKJ-CYBMUJFWSA-N 295.338 3.666 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2c(C)c(C)ccc2[nH]1 428035313 PLZKKGLBBVJSSI-AWEZNQCLSA-N 282.387 3.965 30 20 CHED CCC(CC)(CC)S(=O)(=O)CCCC(C)(C)C#N 190844051 DTSKOLNWNFDQKJ-UHFFFAOYSA-N 273.442 3.700 30 20 CHED C=C(CN[C@H]1CCc2c(cccc2OC)C1)c1ccccc1 425921204 PFBIBLLXSIMLMA-SFHVURJKSA-N 293.410 3.856 30 20 CHED N#Cc1ccc(N2CC[C@](F)(c3ccccc3F)C2)cc1 514952335 RKSKRKUOHWSJEG-QGZVFWFLSA-N 284.309 3.772 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC1(c2ccc(C)c(C)c2)CCC1 515390810 SMTDHYYRSKQNHA-SFHVURJKSA-N 298.430 3.781 30 20 CHED CCCCCCCCCCNC(=O)C1CCOCC1 131905614 RXOUUHVFSYGVOQ-UHFFFAOYSA-N 269.429 3.670 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1nccn1-c1ccccc1 424855881 UFXHJZHYNMFMRR-CQSZACIVSA-N 297.402 3.652 30 20 CHED N#Cc1cccc(-c2nc([C@@H]3CCc4ccccc43)no2)c1 320126823 SDKPIWWIDWZYEB-MRXNPFEDSA-N 287.322 3.686 30 20 CHED CCCn1ccc2ccc(NC(=O)N(C)[C@H](C)CC#N)cc21 86298095 VVGUKTOZCDDCTM-CYBMUJFWSA-N 298.390 3.817 30 20 CHED C#CCCCC(=O)N(CC1CCC1)c1ccccc1 192380106 XZPGCSIQGXUONJ-UHFFFAOYSA-N 255.361 3.623 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C 424866090 DXMXNCWAVKMHBK-KBPBESRZSA-N 251.414 3.728 30 20 CHED C=CCCOCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 146597587 RZAYQHJQPTXQEE-CYBMUJFWSA-N 287.359 3.545 30 20 CHED Cc1c(NC(=O)C(C)(C)C2CCC2)ccc(C#N)c1C#N 421554428 GJGMYUXNFFVAPM-UHFFFAOYSA-N 281.359 3.503 30 20 CHED C[C@@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 334732090 UDFOIEAFFZCATR-LLVKDONJSA-N 291.782 3.670 30 20 CHED C=C(CNC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccccc1 512674412 XCWXLRUEJFFXES-PBHICJAKSA-N 286.419 3.920 30 20 CHED Cc1csc(CN[C@@H]2CCCCc3cc(C#N)ccc32)n1 335751274 KMNIUGMIVSUERU-MRXNPFEDSA-N 297.427 3.881 30 20 CHED Cc1c(F)cccc1NC(=O)N1CCC(CCC#N)CC1 335387983 IKAUWRKYWKXJGX-UHFFFAOYSA-N 289.354 3.682 30 20 CHED CCN(C[C@@H](C)C#N)C[C@H](OC)c1ccc(Cl)cc1 338235006 JPNHBZULBFSFAA-WFASDCNBSA-N 280.799 3.509 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(Br)o2)no1 426564195 BWIAQQSRMMEXTH-UHFFFAOYSA-N 297.152 3.946 30 20 CHED CC(C)[C@H](CNc1cnccc1C#N)Nc1ccccc1 91425422 VEFRGPOGERQWKN-INIZCTEOSA-N 280.375 3.502 30 20 CHED C=CCC[C@H](NC[C@@H](C)Oc1ccc(OC)cc1)C1CC1 438989865 GEEGBKARZHDXME-KDOFPFPSSA-N 289.419 3.797 30 20 CHED N#Cc1cc(F)ccc1NC1CCC2(CCOCC2)CC1 439613735 ODBXVQGGOZEWLM-UHFFFAOYSA-N 288.366 3.849 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1 245527455 PUJMGSXADHPSLG-JTDSTZFVSA-N 298.430 3.762 30 20 CHED N#CC1(CSc2cc3c(cc2Cl)OCCO3)CC1 347022334 PKELWEYUZDYXNO-UHFFFAOYSA-N 281.764 3.507 30 20 CHED C=CCCOCCN[C@H]1CC[C@@H](Cc2ccccc2)C1 436422418 ZFEMOBOHADVRQN-ROUUACIJSA-N 273.420 3.580 30 20 CHED CS[C@@H]1CCCCN(c2ncc(Cl)c(C)c2C#N)C1 343518110 YCBDCJANOBCLPP-LLVKDONJSA-N 295.839 3.637 30 20 CHED CC[C@H](NC(=O)c1ccc(CC#N)cc1)c1cccs1 340095225 VNUGRYHPHYMWQD-AWEZNQCLSA-N 284.384 3.695 30 20 CHED C=CC[C@H](CO)N[C@H]1CCC[C@H](c2ccccc2)CC1 527690410 FUSANPNVINJYNM-OKZBNKHCSA-N 273.420 3.630 30 20 CHED C=C[C@@H](C)NC(=O)C1c2ccccc2Oc2ccccc21 340878411 MZXHMUCEUBMBMO-GFCCVEGCSA-N 279.339 3.615 30 20 CHED C=CCC[C@@H](O)CN[C@@H](CC(C)C)c1ccccc1OC 342334840 LNAOOVQBCOHCPM-WBVHZDCISA-N 291.435 3.699 30 20 CHED CCC(C)(C)CC(=O)N[C@@H](CCC#N)c1ccccc1 439666960 JFSAOKWGWICHQN-HNNXBMFYSA-N 272.392 3.974 30 20 CHED N#CCCN(CC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 245897782 KREGZHHDYODHID-BRWVUGGUSA-N 288.435 3.745 30 20 CHED C=CC1CCN(CC(=O)Nc2cccc(C(C)C)c2)CC1 522081430 CRPFBCABKWPOSR-UHFFFAOYSA-N 286.419 3.647 30 20 CHED C=CCOCCCN[C@H](C)c1ccc2ncsc2c1 348107712 SOOJJFCBMKGRNU-GFCCVEGCSA-N 276.405 3.540 30 20 CHED C=CCN1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 523888816 BTMXBXXJLAVUNL-INIZCTEOSA-N 289.419 3.677 30 20 CHED CCOc1ccc(C#N)cc1NCC#Cc1ccc(F)cc1 433469436 HYUJPGDISVVSEZ-UHFFFAOYSA-N 294.329 3.560 30 20 CHED COc1ccc(F)cc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 248744791 FIWLADCLMTYART-SCRDCRAPSA-N 276.355 3.567 30 20 CHED Cc1cccc(N(C)C(=O)C2(c3cccc(C#N)c3)CC2)c1 434848315 JOJZJPKXPPMTBK-UHFFFAOYSA-N 290.366 3.561 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](C(C)C)C1 436313673 BUEYUTKEEDPKSQ-LSDHHAIUSA-N 266.429 3.809 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccc(O)cc1)CC1CC1 602657863 STWGFRRWAUGHLT-AWEZNQCLSA-N 272.392 3.544 30 20 CHED C[C@H]1CCc2nc(CNCC(C)(C)CCC#N)sc2C1 342294461 PPXBDVFHTYLIOE-LBPRGKRZSA-N 291.464 3.687 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)cc2OCCC)CCC1 430491294 YZGBCPNSVFCZSC-UHFFFAOYSA-N 289.375 3.866 30 20 CHED CCCn1c(CNCC(C)(C)CCC#N)nc2ccccc21 342309043 STOHOXVEWPTJAB-UHFFFAOYSA-N 298.434 3.866 30 20 CHED Fc1ccc(C=NOCc2cccc(OC(F)F)c2)cc1 255928717 KNCHTKISZUJUJR-UHFFFAOYSA-N 295.260 3.978 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccc(C(C)(C)C)cc1 432463393 MXYWMJVWNANKJZ-UHFFFAOYSA-N 287.407 3.998 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)cn1)c1ccc(F)cc1 602925011 TVOHOZOBVNKIPA-QGZVFWFLSA-N 283.350 3.507 30 20 CHED CC(C)N(Cc1cccc(F)c1)C[C@H](C)CCC#N 602440005 MSLFGYIQEDMYQX-CQSZACIVSA-N 262.372 3.976 30 20 CHED Oc1nc2ccccc2cc1C=Nc1cccc(F)c1 255583472 UROFGVSRVZIGBS-UHFFFAOYSA-N 266.275 3.830 30 20 CHED Oc1ccc(C=Nc2cccc(C(F)(F)F)c2)c(O)c1O 255049405 XLQFEUOSDPVIIA-UHFFFAOYSA-N 297.232 3.573 30 20 CHED CC[C@H](CC#N)NCc1cc(Cl)ccc1OCC1CC1 430760303 HCUQTLRWZSLHNT-OAHLLOKOSA-N 292.810 3.911 30 20 CHED CCCCn1ncc(NCc2cccc(C#N)n2)c1C(C)C 602629037 DTVCMRZOJBZXTH-UHFFFAOYSA-N 297.406 3.685 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1CC1(CC#N)CC1 602777288 CZGAJLAXAQIENT-GOEBONIOSA-N 254.377 3.558 30 20 CHED Cc1ccc2oc(SCc3ccc(C#N)cc3F)nc2n1 342434544 MNDIXMCKVSFVND-UHFFFAOYSA-N 299.330 3.834 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(C)o2)c1 255681339 PRJJRUPJXIHZAP-FPLPWBNLSA-N 256.301 3.631 30 20 CHED COc1ccccc1[C@@H]1CCCCN1CCCCC#N 609280633 HYDFUFDAAYTLRX-INIZCTEOSA-N 272.392 3.916 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccnc1Cl)C2 255774762 NNVQBCNPABHDRY-UKTHLTGXSA-N 269.731 3.866 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc(-c3ccncc3)cc2)C1 442790136 ZLAQBRINLGJEFX-QAPCUYQASA-N 277.371 3.530 30 20 CHED Cc1cc(C#N)cc(NCCCc2cnccc2C)c1 449760899 SIBYNKKDNPPLHS-UHFFFAOYSA-N 265.360 3.615 30 20 CHED C=CCOCCCS[C@@H](C)c1cccc(C#N)c1 359157770 UYBCAEGNQHLNCF-ZDUSSCGKSA-N 261.390 3.945 30 20 CHED C=CC(C)(C)C(=O)NCCSc1ccc(Cl)cc1 448590719 DLKGANNPVYIKJG-UHFFFAOYSA-N 283.824 3.761 30 20 CHED C=CCSCCNC[C@@H](C)c1cc(F)cc(F)c1 449129108 BPGUNBJADUXDDZ-LLVKDONJSA-N 271.376 3.577 30 20 CHED C[C@@H](CCC#N)CNc1cccc(OC(F)(F)F)c1 602484795 QVHHRYLNTVOUIN-JTQLQIEISA-N 272.270 3.937 30 20 CHED N/C(=N/Cc1cccs1)Nc1cccc2c1CCCC2 262488255 UAPVRJINCHIVOY-UHFFFAOYSA-N 285.416 3.554 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@]1(C#N)C[C@@H]1C 448962701 SGJBFHDVXJNAIM-ZVZYQTTQSA-N 284.403 3.748 30 20 CHED Cc1oc(-c2ccccc2)nc1CON=C1CCC1 265471764 PSAPKUMQCCTRRK-UHFFFAOYSA-N 256.305 3.707 30 20 CHED CC[C@H](C)CC(=O)Nc1cccc(C#Cc2ccccn2)c1 357958270 ASFLMEAKCIIZOA-HNNXBMFYSA-N 292.382 3.856 30 20 CHED CSc1ccccc1CN(C)c1nc(C)cc(C)c1C#N 359889224 XSXHKQRQEZBPPL-UHFFFAOYSA-N 297.427 3.928 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](C)C3(CCC3)C2)CC1 356687539 YJBDHRSYWDLETQ-CQSZACIVSA-N 261.409 3.772 30 20 CHED CC(C)(C)Oc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 619673322 CQQXRGSBFPCAAT-GJZGRUSLSA-N 272.392 3.646 30 20 CHED C=C1CCN(C(=O)C[C@H](CC)c2ccccc2)CC1 264463348 HHKPKUMVMOGACF-HNNXBMFYSA-N 257.377 3.749 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 610354300 WBGCPWXYSDMDIO-MELADBBJSA-N 287.407 3.743 30 20 CHED N#Cc1ccc(CSCC2CC2)c(Br)c1 611496797 BYUCQDJBJOZEAC-UHFFFAOYSA-N 282.206 3.964 30 20 CHED C=CCC1(NC(=O)c2cnc(C(C)C)s2)CCCC1 619108633 ZRIQXLHIFMAADU-UHFFFAOYSA-N 278.421 3.885 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 265901299 UYBRMHGKYAAJIZ-KSZLIROESA-N 298.430 3.584 30 20 CHED CS[C@@H](C)CCC(=O)Nc1ccc(C#N)cc1Cl 359067024 XRXIXFLZMIEPPF-VIFPVBQESA-N 282.796 3.682 30 20 CHED C[C@@H](C#N)CNc1ncnc2scc(-c3ccccc3)c12 531065376 ZOVHOQUURWIKNW-NSHDSACASA-N 294.383 3.930 30 20 CHED C[C@@H](C(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)s1 353186198 QJUUWKGSKGJAEQ-SECBINFHSA-N 284.812 3.513 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 617616415 WENBDIIQLAFSGJ-QWHCGFSZSA-N 284.186 3.789 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(CCCCC#N)[C@@H]2C 359537487 LFXSRIZIKXUHJR-UONOGXRCSA-N 272.392 3.697 30 20 CHED C=CCC[C@@H](O)CN[C@H](CC1CCC1)c1ccccc1 351101524 OBXHLUFCSVVREY-QZTJIDSGSA-N 273.420 3.835 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCCC[C@H]1CCC)OCC 533716154 CYAVVGHYLJFUJX-PMPSAXMXSA-N 281.440 3.833 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)CCc2ccc(C)o2)CC1 356190416 KCLZKGDQKOPZHN-ZDUSSCGKSA-N 275.392 3.772 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](C2CCCCC2)C1 618186822 TVNJVDLXJXPDOZ-MRXNPFEDSA-N 261.409 3.609 30 20 CHED C=C(C)COc1cc(CN2CCC23CCC3)ccc1OC 353667694 DMYMIQOJVMPPQD-UHFFFAOYSA-N 287.403 3.779 30 20 CHED CCCCO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C 539512154 MXVAXNYUJOBRLH-CABCVRRESA-N 292.448 3.693 30 20 CHED C=CCCCN1CC=C(c2c[nH]c3ncccc23)CC1 265662420 SRJUVSZTFYJKCA-UHFFFAOYSA-N 267.376 3.618 30 20 CHED C[C@H](CCc1ccco1)N[C@H]1CCc2cc(C#N)ccc21 618805888 PKCJLRZVMOAPME-ACJLOTCBSA-N 280.371 3.749 30 20 CHED CC(C)CC1(CNC(=O)c2ccc(Cl)c(C#N)c2)CC1 538689266 XARKGZPXFCZTLG-UHFFFAOYSA-N 290.794 3.768 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1 617788976 WDKALETYEZGCTF-CQSZACIVSA-N 275.367 3.573 30 20 CHED CS[C@@H](C)CN[C@@H]1CCCCc2cc(C#N)ccc21 360657353 NULJDDHQFYHZJJ-BLLLJJGKSA-N 274.433 3.667 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 618802438 DOUXIGJCLKDDAX-FZKQIMNGSA-N 262.356 3.896 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)C(=O)CC(C)(C)C#N 278488553 LEVRBUYYYFSSEV-LLVKDONJSA-N 278.783 3.799 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC[C@@H]2CCCCO2)n1 613428960 BBTHOVBGZRRRIE-AWEZNQCLSA-N 287.407 3.622 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Nc1cc(CC#N)ccn1 543458148 QARBTDAWTRICHU-LBPRGKRZSA-N 273.380 3.549 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)CC(C)(C)C#N 278349888 MWGAVDDJAAABAR-IJEWVQPXSA-N 284.403 3.719 30 20 CHED C=C(CC)CNC(=O)Nc1c(C)nn(-c2ccccc2)c1C 454288043 HSXLGXHTDJVODK-UHFFFAOYSA-N 298.390 3.577 30 20 CHED C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 456983222 OZWMSICUIRCARV-LDDOYCOJSA-N 298.430 3.993 30 20 CHED CCC(CC)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 364746950 VYXMWNBCCDUJGJ-DLBZAZTESA-N 284.403 3.721 30 20 CHED CCc1nc(CCNc2cccc(Cl)c2C#N)cs1 450306004 RRMKVEKWXKTVCP-UHFFFAOYSA-N 291.807 3.885 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](C)C1 549706528 RYTHODVLYACOQP-OKILXGFUSA-N 288.439 3.604 30 20 CHED CCCC[C@@H](CC)CC(=O)N1CCC(CC#N)CC1 541048464 YEYRMYPAPKXULF-CQSZACIVSA-N 264.413 3.745 30 20 CHED Cc1ccc([C@@H]2CCN(C(=O)C3(C#N)CCCC3)C2)c(C)c1 279678686 MOEQZBQRWATTQU-MRXNPFEDSA-N 296.414 3.703 30 20 CHED N#Cc1cc(F)ccc1NCc1cccc(-c2ncc[nH]2)c1 361076696 ZWIGHCFPEIUZHG-UHFFFAOYSA-N 292.317 3.700 30 20 CHED CCCC[C@@H](CCC)NC(=O)[C@@]1(C#N)CC12CCCC2 450105015 MUGFCOISJGMFAF-PBHICJAKSA-N 276.424 3.936 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1coc(-c2ccc(C)cc2)n1 277001796 ZIGQTALYCOOJRZ-GOSISDBHSA-N 298.386 3.869 30 20 CHED C[C@@H](C1CCC1)N(C)Cc1ccc(Cl)cc1C#N 360120793 ALZRTSSKNQYVBS-NSHDSACASA-N 262.784 3.832 30 20 CHED C[C@H](NC(=O)CCCC#N)c1ccc(F)c2ccccc12 360610720 KSBCJIANQBAMPV-LBPRGKRZSA-N 284.334 3.850 30 20 CHED CCN(C(=O)Nc1ccc(CC#N)cc1Cl)C(C)C 455696884 DAWRFDBVKNUXFT-UHFFFAOYSA-N 279.771 3.668 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C 456352817 VGIWQPNATRUTOG-SJORKVTESA-N 284.403 3.619 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(OCC)ccc1Cl 456036553 BQHGLWFYXVDRSV-LLVKDONJSA-N 297.782 3.658 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]1c1sccc1C)C(C)(C)C 622944586 YILXCCRDJVPMSX-OLZOCXBDSA-N 277.433 3.973 30 20 CHED Cc1cc([C@@H](NCc2cc(C#N)n(C)c2)C2CC2)ccc1F 276586246 CPASKAKJNMGLGG-SFHVURJKSA-N 297.377 3.585 30 20 CHED N#Cc1ccc(CNc2cccc3cc[nH]c23)c(F)c1 547812080 UZFLPUYROMPIIJ-UHFFFAOYSA-N 265.291 3.791 30 20 CHED Cc1cccc(-c2noc(-c3cc(C#N)cs3)n2)c1 546229768 YPDIBJYDPKNISS-UHFFFAOYSA-N 267.313 3.645 30 20 CHED C=CCCCNc1cccc2c1CN(c1ccccn1)C2 271095930 ZBXAJUTZKXVGEO-UHFFFAOYSA-N 279.387 3.980 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC[C@@](F)(c3cccc(Cl)c3)C2)C1 549695074 XKMLQKVSJWYZIO-WQVCFCJDSA-N 292.785 3.903 30 20 CHED Cc1ccccc1O[C@@H](C)CNc1cccc(F)c1C#N 463073350 YQIFRDAYRPSRRT-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED CSCCCCC(=O)Nc1cc(C#N)c2ccccc2n1 288661506 AUBIXHSJGNSQMM-UHFFFAOYSA-N 299.399 3.578 30 20 CHED C[C@@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)C(C)(C)C 464165558 FGEVISWDDXIEPL-NHYWBVRUSA-N 252.402 3.503 30 20 CHED CC(C)c1ccc2occ(C(=O)N(CC#N)C3CC3)c2c1 286102521 UTOAZLANSCDIRQ-UHFFFAOYSA-N 282.343 3.684 30 20 CHED Cc1ccc([C@@]2(C)CCN(c3snc(C)c3C#N)C2)cc1 553568024 VPKCIRWIJPADGM-KRWDZBQOSA-N 297.427 3.800 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C 466729529 VINXYWBBBHKWSE-ZOBUZTSGSA-N 286.419 3.929 30 20 CHED CC[C@@](C)(C#N)c1nc([C@H]2CCCc3ccccc32)no1 285376559 OLQUAWOLHKHSTL-YOEHRIQHSA-N 281.359 3.729 30 20 CHED C=C(C)CNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 469810999 SVLYIOCNXVNRIO-AWEZNQCLSA-N 259.393 3.681 30 20 CHED C=CCC[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccco1 286230081 SUYVVTAQGOLLMP-XYJFISCASA-N 283.371 3.535 30 20 CHED C=CCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 285967632 AWWARVACJHQKLK-GVDBMIGSSA-N 269.388 3.747 30 20 CHED C=CCCCCNC(=O)N[C@@H](c1cccs1)C1CC1 473888755 YMJDRTAKDPIAEX-CQSZACIVSA-N 278.421 3.855 30 20 CHED C=CCCCCNC(=O)C12CC3CC(CC(C3)C1)C2 471668412 QQJMSOLXWPLMCJ-UHFFFAOYSA-N 261.409 3.675 30 20 CHED CC(C)CCC(=NN[C@@H](CO)c1ccccc1)C1CC1 802711734 APVATZZZAICCMU-KRWDZBQOSA-N 274.408 3.512 30 20 CHED C(=NN[C@@H]1CCSC1)c1cccc(Oc2ccccc2)c1 808003458 YGCMAEQIKMIARE-OAHLLOKOSA-N 298.411 3.908 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(OC(C)C)cc1C 806220987 VXBBTVXXCRVWKM-CQSZACIVSA-N 288.391 3.706 30 20 CHED N#CCc1ccc(NC(=O)Cc2coc3ccccc23)cc1 551903937 WHICCQLEYVTVQE-UHFFFAOYSA-N 290.322 3.680 30 20 CHED C=CCC[C@@H](O)CN1CCCCC[C@H]1c1ccc(C)o1 472588941 LMHMDJFGQCWDCB-CVEARBPZSA-N 277.408 3.832 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1O[C@H](C)C#N 295626092 AWALPLKLEGMADR-MGPQQGTHSA-N 286.375 3.742 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(-c2ccccc2)c(C)c1 806420695 QPKSMRMLAMKOPR-CQSZACIVSA-N 278.355 3.805 30 20 CHED C#Cc1ccc(CN[C@H]2CCCOc3c(F)cccc32)cc1 809634728 MAYPKEWWQFHUPC-SFHVURJKSA-N 295.357 3.811 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(NC3CCCC3)nc2)n1 561187339 VZLNJNQSVIEGLS-UHFFFAOYSA-N 293.374 3.755 30 20 CHED C=CCOC(=O)c1sc(-c2ccc(F)cc2)nc1C 807631141 FVCLHIFREQLWKS-UHFFFAOYSA-N 277.320 3.600 30 20 CHED Cc1cc(Cl)c(NC(=O)C2(C#N)CCCC2)cc1C 296249719 WEIJMLFDNQAWSY-UHFFFAOYSA-N 276.767 3.979 30 20 CHED C#CCCc1noc(-c2cc3cccc(C)c3s2)n1 809398017 NABLJWYLRKWTEJ-UHFFFAOYSA-N 268.341 3.826 30 20 CHED N#CCCCCCC(=O)OCc1coc(-c2ccccc2)n1 805696624 HCWYSUMCUSEVLT-UHFFFAOYSA-N 298.342 3.859 30 20 CHED C=CCC[C@@H](C)Nc1cccc(C(=O)N(C)CC)c1 565674472 YDHFXRTZPLVJON-CYBMUJFWSA-N 260.381 3.545 30 20 CHED COc1cc(C=NNc2nccnc2C2CCC2)ccc1C 807991623 NRJRPAFHZJDQGU-UHFFFAOYSA-N 296.374 3.507 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(F)c(C#N)c2Cl)no1 806555204 AARIJDCNOKJSKM-HYXAFXHYSA-N 290.681 3.543 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC(F)(F)C1 563037110 WBNDCRLUEQDOJC-UHFFFAOYSA-N 293.704 3.605 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 294377841 HFTPPIUXJJPBJS-JTQLQIEISA-N 283.318 3.677 30 20 CHED CC(C)C[C@@H](C)OC(=O)Oc1ccc(C#N)cc1F 296233455 KTIBOMJBYCMIRD-SNVBAGLBSA-N 265.284 3.647 30 20 CHED Cc1ncsc1CON=Cc1ccc(Cl)cc1 809993071 SGNRFRPGAIBUDW-UHFFFAOYSA-N 266.753 3.656 30 20 CHED N#Cc1cccc(CCNC(=O)CCCC2CCCCC2)c1 568301624 OUAJFPQXHHEDGG-UHFFFAOYSA-N 298.430 3.968 30 20 CHED CC(C)(CCC#N)CN[C@H](Cc1ccccc1)C1CC1 562048073 QVJHZDPADYZKCK-QGZVFWFLSA-N 270.420 3.927 30 20 CHED CC(C)c1ccoc1-c1noc(Cc2cccc(C#N)c2)n1 568464328 VACBPXOSVVUKSH-UHFFFAOYSA-N 293.326 3.915 30 20 CHED CC(=NN[C@H]1CCSC1)C(C)(C)c1ccc(F)cc1 808004036 CKCIENWQTZTGIT-AWEZNQCLSA-N 280.412 3.574 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C(C)=C2CCCC2)cc1 813678984 VPNHBRUVMVDDJY-QGZVFWFLSA-N 282.387 3.820 30 20 CHED C=C(C)CNC(=O)Nc1cnn(CCC(C)C)c1C(C)C 487609989 XFPOTFDYXJEEAV-UHFFFAOYSA-N 292.427 3.750 30 20 CHED CCc1cnc(C=NNc2cc(C)cc(C)c2)s1 814753691 VXVGTBVISOKGPS-UHFFFAOYSA-N 259.378 3.768 30 20 CHED C=CCN(Cc1conc1Cc1ccccc1)C(C)C 816490612 ZNIPYUPRFOEVOP-UHFFFAOYSA-N 270.376 3.662 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccc(OC)c(O)c1)c1ccncc1 810217894 BVFBGLWFSZMHIQ-BBRMVZONSA-N 298.386 3.764 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NN[C@H](C)COc2ccccc2)o1 811666771 JQTNHJGUZJZHFH-JJRVBVJISA-N 298.386 3.794 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CC1CCCCC1 487226571 AHXAVRZUEPAXOX-WMLDXEAASA-N 281.440 3.690 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCC(=O)C[C@H]1C 811590077 OMRQUGWLNYGJKR-GDBMZVCRSA-N 279.424 3.635 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2ccccc2Cl)CCC1 651351725 RIRBKNIRCSWCIK-GFCCVEGCSA-N 277.795 3.843 30 20 CHED C#CCCCNC(=O)C1(Cc2cccs2)CCCCC1 810449146 FWVQWDHXWQFCQT-UHFFFAOYSA-N 289.444 3.771 30 20 CHED Cc1cccnc1SCC#Cc1ccc(F)cc1 574779992 JAAQDEQRIPYWSK-UHFFFAOYSA-N 257.333 3.673 30 20 CHED CCCCC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)C(C)C 813284320 WNVDQUYZKNCLCU-KBPBESRZSA-N 266.429 3.893 30 20 CHED C#Cc1ccccc1CC(=O)N(C)[C@H](C)c1ccc(C)cc1 810074223 LPMRKKUKHLFGHW-MRXNPFEDSA-N 291.394 3.738 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(F)ccc2C)cc1O 811698614 MCXKQWWNIYMPTN-DAXSKMNVSA-N 286.302 3.744 30 20 CHED CCOc1ccc(NN=Cc2cc(C)nc(Cl)c2)cc1 814985175 VQASGBAFLAWGNJ-UHFFFAOYSA-N 289.766 3.888 30 20 CHED C=CCSc1ccccc1C(=O)NCC=C(C)C 480904591 BHCVWHGYDXOWKO-UHFFFAOYSA-N 261.390 3.661 30 20 CHED C[C@H](C#N)CNN=C1CCCC[C@H]1C1=CCCCC1 814881865 ZLIFTMPMJOBEDG-HIFRSBDPSA-N 259.397 3.782 30 20 CHED C=CCN(C(=O)c1ccc(Cl)o1)c1ccccc1 484261772 IKUXICJFOLQFLC-UHFFFAOYSA-N 261.708 3.766 30 20 CHED C[C@@H](C=NNc1ccc(Cl)nn1)C1CCCCC1 814697853 FSVAHLVIPZBVJM-JTQLQIEISA-N 266.776 3.744 30 20 CHED N#Cc1cc(N2CCC(Cc3ccccc3F)CC2)ccn1 572145637 KSXQBUZKKPPWBV-UHFFFAOYSA-N 295.361 3.551 30 20 CHED CC(CCc1ccco1)=NNCCCOc1ccccc1 729147559 GGDKXDKWSNTWAO-UHFFFAOYSA-N 286.375 3.647 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(O)c(Cl)c1 811672043 ONMSUOMQLUHIDW-WLWPVCBVSA-N 260.120 3.539 30 20 CHED CC(=NOCc1ccccc1)c1ccc(CN(C)C)cc1 814792452 QXIKWIVAEBIDLE-UHFFFAOYSA-N 282.387 3.689 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(CC#N)c2)[C@@H]1C 482681448 SMJKXYQOVXMHBN-CPUCHLNUSA-N 284.403 3.555 30 20 CHED C[C@H](C#N)Oc1ccc(C=NN[C@H](C)c2ccccc2)cc1 727684610 JYVFTHJGRJUDJY-HUUCEWRRSA-N 293.370 3.662 30 20 CHED C#C[C@H](NCc1cnc(-c2ccccc2F)s1)C(C)C 824363461 DWCURMHJRDZHSH-HNNXBMFYSA-N 288.391 3.697 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 822296918 OWMOCOAUDGXDTL-MRXNPFEDSA-N 275.367 3.689 30 20 CHED N#Cc1ccc(COC(=O)C2CCCCCC2)c(F)c1 726212298 UTJGUJCYBWNAIS-UHFFFAOYSA-N 275.323 3.711 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)ccc1F 729150421 NPUFUGCZRWXVIN-UITAMQMPSA-N 298.313 3.657 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1csc(CC)n1 495027411 SENQHFLMJXMDHZ-NEPJUHHUSA-N 293.436 3.517 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(N(C)C)cc1 729146169 OMUKCWXLYKXNGC-UHFFFAOYSA-N 295.430 3.699 30 20 CHED CC(C)(NCc1cccc(C#N)c1)c1ccccc1F 492041130 FUXBVVKBWASCFS-UHFFFAOYSA-N 268.335 3.722 30 20 CHED CC(=NNC1CCCC1)c1ccc(OC(F)(F)F)cc1 727651565 FVZFYXQWTBPDEO-UHFFFAOYSA-N 286.297 3.841 30 20 CHED C#Cc1cccc(N(C)C(=O)/C=C(/C)c2ccccc2)c1 728481433 FMVAHTFWYUOSIX-SQFISAMPSA-N 275.351 3.734 30 20 CHED C=C(C)CN(CC)C(=O)C1(C(F)(F)F)CCCCC1 666259802 RQZVYUWMGSGRFB-UHFFFAOYSA-N 277.330 3.924 30 20 CHED CC(C)CC[C@H]1CCCC1=NNc1cnnc(O)c1Cl 727255643 LEOHAKBXLVADNE-SNVBAGLBSA-N 296.802 3.840 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cnc(Cl)c(C)c2)C1 821811038 CHOOXEWJQVABNH-LBPRGKRZSA-N 293.798 3.863 30 20 CHED CC(=O)c1ccc(C#N)cc1NC[C@@]1(C)CC1(Cl)Cl 828798311 JEGFLBHULDHUPL-CYBMUJFWSA-N 297.185 3.757 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1SC(F)F 736953425 QHFLDCNSHBDSGH-UHFFFAOYSA-N 292.738 3.875 30 20 CHED C=CCCNC(=O)N1CCCCC[C@@H]1c1ccccc1 665947462 NGZQLTJNIPBRKP-MRXNPFEDSA-N 272.392 3.889 30 20 CHED C=CC[C@H](C)NC(=S)Nc1ccc(Cl)cc1 734985194 BZIMEPLUEIPELS-VIFPVBQESA-N 254.786 3.591 30 20 CHED C=C(C)CN(C)C(=O)/C(C)=C\c1cccc(Cl)c1 588395318 YKLFYCWPZMNFSO-WQLSENKSSA-N 263.768 3.778 30 20 CHED C=CC[C@H](C)Nc1nc(C)nc2c1cnn2-c1ccccc1 735075544 AYQJBDCBUUOILO-LBPRGKRZSA-N 293.374 3.500 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2ccncc12 583798420 XAVJWSNNSMHXMN-UHFFFAOYSA-N 254.333 3.776 30 20 CHED CCC/C=C\C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 731645022 DTDIVVPUZJNGGA-IBSXUBTNSA-N 296.292 3.743 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc(-c2cnco2)cc1 906526398 GSKRPKVETYDXCZ-CYBMUJFWSA-N 283.375 3.760 30 20 CHED C=CCCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739598631 IQBQIOALKLNKSP-UHFFFAOYSA-N 296.395 3.869 30 20 CHED CCc1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)cc1 730147936 AEMPTJLHCCVBHW-BQYQJAHWSA-N 286.352 3.905 30 20 CHED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C#CC1CC1 837583241 FCKDTYTXUZRLCN-AWEZNQCLSA-N 295.304 3.518 30 20 CHED CCO[C@H]1CC(=NNc2nc3ccccc3s2)C1(C)C 736429411 VBAIBNIOSPTIAN-ZDUSSCGKSA-N 289.404 3.899 30 20 CHED CC(C)(NC(=O)CCCCCC#N)c1ccccc1 588899486 AHJCVQOTCCZMCE-UHFFFAOYSA-N 258.365 3.512 30 20 CHED Cc1ccc2[nH]c(C(=O)N(CCC#N)CC(C)C)cc2c1C 735039314 NQOZOROOTFNZRP-UHFFFAOYSA-N 297.402 3.797 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1coc2ccccc12 588967266 TUELQKHJASHONU-UHFFFAOYSA-N 298.386 3.906 30 20 CHED CC#CCCCc1nc(C[C@]2(C)CC2(Cl)Cl)no1 834875249 WNLXLAPINSQGRT-GFCCVEGCSA-N 287.190 3.542 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 909288840 XDVSXLZQLPQHGU-UHFFFAOYSA-N 289.375 3.590 30 20 CHED C=CCCCOC(=O)CCCOc1ccc(F)cc1F 735531678 CVGZUSWWAXKAOO-UHFFFAOYSA-N 284.302 3.633 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CCCCC(C)C)n1 838783957 LMFJNHFMFAPDFU-LBPRGKRZSA-N 264.394 3.844 30 20 CHED C#CCC[C@@H](C)OC(=O)Cc1c[nH]c2cccc(Cl)c12 839042843 YVDZNHDSWXDDJP-LLVKDONJSA-N 289.762 3.709 30 20 CHED C=CCC[C@H](C)OC(=O)[C@H](CC)CC(F)(F)F 835269477 WLHNIRVVROUKRJ-VHSXEESVSA-N 252.276 3.863 30 20 CHED CC1=CC(=NNC(=S)Nc2cccc(Cl)c2)CC1 916285356 GZAOZZGUCXHJFF-UHFFFAOYSA-N 279.796 3.723 30 20 CHED C[C@H](C#N)N(CCc1cc(Cl)cc(Cl)c1)C1CC1 595709425 FICXXOHJWWVLFN-SNVBAGLBSA-N 283.202 3.912 30 20 CHED CC(CCN(C)C)=NNc1cc(C)c2ccc(C)c(C)c2n1 915956297 QSNMKLZOMBKWHT-UHFFFAOYSA-N 298.434 3.900 30 20 CHED O=C1/C(=C\c2cccc3c2OCO3)Cc2cc(Cl)ccc21 742437594 OVKCETOKFMUMSO-SDQBBNPISA-N 298.725 3.891 30 20 CHED C(=NNc1cccc2cnccc12)c1c[nH]c2ncccc12 741764759 XPOSPVUNWRDJPZ-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C#CCCCN[C@@H](CCOC)c1cccc(C(F)(F)F)c1 831857942 OWOMFFPSBLEENG-HNNXBMFYSA-N 299.336 3.786 30 20 CHED CCN(CCc1cccc(Cl)c1Cl)[C@H](C)C#N 595820636 ODGMZXWFXSEPGV-SNVBAGLBSA-N 271.191 3.770 30 20 CHED C=CCCC(C)(C)NC(=O)CCCC(=O)c1ccccc1 912729297 ZLUKDRKDAVPYFY-UHFFFAOYSA-N 287.403 3.901 30 20 CHED C[C@@H](C(=O)OCc1ccccc1C#N)c1cccc(F)c1 744088921 RBKKMIUDAKJURV-GFCCVEGCSA-N 283.302 3.544 30 20 CHED CC(CCc1cccc(F)c1)=NOCc1cccnc1 746585863 NAARFWMURCNWJB-UHFFFAOYSA-N 272.323 3.746 30 20 CHED N#CC1(c2cccc(-c3cccs3)c2)CCOCC1 592985285 KUXRZPCDIHYUMD-UHFFFAOYSA-N 269.369 3.987 30 20 CHED COCc1cccc(CON=Cc2ccc(C)cc2)c1 746558100 PXANLFYZKGLATC-UHFFFAOYSA-N 269.344 3.692 30 20 CHED C#CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 917065600 DXEXUNWSJPDDNE-ZDUSSCGKSA-N 254.160 3.764 30 20 CHED COC[C@H](CC(C)(C)C)N[C@@H]1CCc2cc(C#N)ccc21 593621818 SZBCTYFDLMTQEP-DOTOQJQBSA-N 286.419 3.586 30 20 CHED C=C[C@H](C)ONC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 846545921 KDKBFIXUOFVQOA-IEHMKBBKSA-N 299.292 3.731 30 20 CHED CCC(=NNc1nc2ccccc2n1C)c1ccccc1 915967643 LCYRUCFCWLLHLT-UHFFFAOYSA-N 278.359 3.800 30 20 CHED CCC(=NNc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 915956175 SFMPTXHMOLAAAL-UHFFFAOYSA-N 299.330 3.830 30 20 CHED COC1(CCON=Cc2ccccc2OC(F)F)CCC1 842017003 RHRMMNXKDNLBJF-UHFFFAOYSA-N 299.317 3.598 30 20 CHED C=CCOc1ccc(OC(=O)c2sccc2C)cc1 742860877 NEJIOFVOJUVVNS-UHFFFAOYSA-N 274.341 3.841 30 20 CHED Cc1occc1C(=O)OCCC1(C#N)CCCCC1 840192983 XHBMCWUUEIUFIF-UHFFFAOYSA-N 261.321 3.609 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@H]2CCCS2)no1 594528717 CRUMCUSWIUCTSN-SMDDNHRTSA-N 299.399 3.856 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1oc2ccc(Cl)cc2c1C 594096860 CKAVDGZOMLTERK-NSHDSACASA-N 290.750 3.769 30 20 CHED C[C@@H]1CCC(=NNc2cc(CO)ccc2Br)C1 841654960 QHWJYQQTBWTYNI-SECBINFHSA-N 297.196 3.529 30 20 CHED Cc1ccc(N(C)C(=O)[C@@]2(C#N)CC23CCCC3)c(F)c1 841325712 LEXZPIOSFQMWKK-KRWDZBQOSA-N 286.350 3.571 30 20 CHED C/C=C/C(=O)Nc1cccc(C#Cc2cccs2)c1 912906526 DQVBPWKQOJHJHB-GORDUTHDSA-N 267.353 3.663 30 20 CHED CC(=NNc1ncccc1[N+](=O)[O-])c1coc2ccccc12 747765700 IJGDSTPBVCIQJP-UHFFFAOYSA-N 296.286 3.572 30 20 CHED Cc1ccc(N(C)C(=O)/C=C/c2ccccc2C#N)c(C)c1 917812872 ARAMHJZQCOVARB-PKNBQFBNSA-N 290.366 3.851 30 20 CHED N#Cc1ccc(C=NNc2ccc(Cl)c(F)c2)cc1 747634903 CNFJYIUNJOZBCA-UHFFFAOYSA-N 273.698 3.797 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cnc(C(C)(C)C)nc1 840722233 ZFUKJSFAMWPWFP-SREVYHEPSA-N 295.386 3.628 30 20 CHED C=CCNC(=S)N(CCCC)[C@H](C)c1ccccc1 745686444 ARGFRKMZZVKQFF-CQSZACIVSA-N 276.449 3.910 30 20 CHED C[C@@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)C1CC1 748676854 DKNMALJCBAZGSU-NWDGAFQWSA-N 257.333 3.599 30 20 CHED C=CCC1(C(=O)O[C@H]2C[C@@H](C)C(=O)C(C)(C)C2)CCC1 847937567 AWAKPOGVFAPJLB-OLZOCXBDSA-N 278.392 3.670 30 20 CHED C[C@@H](NCCCc1ccco1)c1ccc(C#N)c(F)c1 595094342 XFXSNTKCKWFHMO-GFCCVEGCSA-N 272.323 3.574 30 20 CHED C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)c2ccccc2O1 597212295 TUUFKYUGIDXXRJ-AWEZNQCLSA-N 298.386 3.665 30 20 CHED Cc1ccccc1C1(N[C@@H]2CCC[C@H](C#N)C2)CC1 592391767 IZXSPDISHDEFNA-LSDHHAIUSA-N 254.377 3.656 30 20 CHED C=CCN(CCC#N)CC[C@@H]1CCc2ccccc21 595502547 TZNPEVBKIAVJLZ-INIZCTEOSA-N 254.377 3.508 30 20 CHED CC(C)(C)CCCNC(=O)CC1(C#N)CCCCC1 597282871 NXCMODYTHIERQC-UHFFFAOYSA-N 264.413 3.793 30 20 CHED COc1ccccc1C(C)=NNc1cc([N+](=O)[O-])ccc1C 747061849 MYTURQCRIXSRAS-UHFFFAOYSA-N 299.330 3.748 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)CCc2cc(F)ccc21 747441059 YDPGJCHXNDOYQK-XNTDXEJSSA-N 294.325 3.973 30 20 CHED COc1ccc(C=NN[C@@H](C)c2ccccc2)cc1C 920381941 BZZIFVHPOAIBGI-AWEZNQCLSA-N 268.360 3.688 30 20 CHED C=CCCOCC(=O)N(Cc1ccc(F)cc1)C(C)(C)C 681554182 LJPFGIVAHOUCLH-UHFFFAOYSA-N 293.382 3.546 30 20 CHED C=CCCCCCCCNC(=O)Nc1cccc(CN)c1 841305303 SQSWGYSFGKSSJE-UHFFFAOYSA-N 289.423 3.793 30 20 CHED C#CCOc1cccc(NC(=O)/C=C(\C)C(C)(C)C)c1 742651281 ZXBQLSROYIFSCW-ACCUITESSA-N 271.360 3.630 30 20 CHED CC(C)Sc1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1 928227294 XXTJSXDJNQESLP-ZDUSSCGKSA-N 288.416 3.563 30 20 CHED CC[C@H](C#N)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 845284953 FMFWXMXQYIRLMH-MGPQQGTHSA-N 264.413 3.505 30 20 CHED C#CC[C@@H](OC(=O)CC[C@@H]1CC1(Cl)Cl)C(C)C 850874254 WZLWXYASFYIMAD-GHMZBOCLSA-N 277.191 3.552 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)OCc1ccc(C#N)cc1 920731414 WCLQWPVEQNUOLT-CJNGLKHVSA-N 271.360 3.818 30 20 CHED C=CCCOCCN[C@@H](C)c1cc(-c2ccccc2)no1 925629109 LPHDWTUJMHYKBS-AWEZNQCLSA-N 286.375 3.585 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(C)cc1O 850489380 STFWTBMPVBEDDU-GOSISDBHSA-N 294.398 3.856 30 20 CHED FC(F)(F)C(=NOCc1cscn1)c1ccccc1 751956175 ZBLULAIGSBGCFC-UHFFFAOYSA-N 286.278 3.626 30 20 CHED C=CC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccncc1 921746367 AYOVKKZYHWXJID-GOSISDBHSA-N 294.398 3.814 30 20 CHED C/C(=C/C(=O)O[C@@H](C#N)C(C)(C)C)c1cccs1 857017154 CLQDXJROOYRHQS-CUZBXDDWSA-N 263.362 3.633 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H](C)c1ccc(F)cc1 924966217 XOQWDQCCFVFXHY-QWHCGFSZSA-N 262.372 3.847 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 854693987 CMOLKQPBCWXKBG-ABAIWWIYSA-N 297.320 3.884 30 20 CHED CC[C@@H]1CCCC1=NNc1cccc([N+](=O)[O-])c1C 758370511 NRXOIRLFAPXROE-LLVKDONJSA-N 261.325 3.881 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)COc2ccc(F)cc21 759082006 BAVBACPQASUORF-XVNBXDOJSA-N 295.722 3.594 30 20 CHED COc1cccc(OC)c1C=NNc1cccc(Cl)c1 755472531 WDICTKQWNPFPHL-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CCCCCCCCCNC(=O)NCc1ncccc1F 752640975 KWINAJUIDCYCOC-UHFFFAOYSA-N 295.402 3.771 30 20 CHED Clc1ccc(CNN=Cc2cccc3[nH]ccc23)cc1 755774343 PWVVPBBDNJCTIT-UHFFFAOYSA-N 283.762 3.945 30 20 CHED CC(=O)c1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)ccc1C 851206799 PMZAIDYVWISXJI-LBPRGKRZSA-N 287.359 3.683 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@H]2CCCCS2)cc1 753731336 NFBWTAUIGFPDEX-RHSMWYFYSA-N 289.444 3.635 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 859858498 CVUPBHIZZIPBFV-YESZJQIVSA-N 297.398 3.836 30 20 CHED FC(F)(F)c1ccc(NN=C2CCCCCC2)nn1 754710278 SMSBIDGPUCIUOR-UHFFFAOYSA-N 272.274 3.618 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCc1c[nH]c2ccccc12 851214731 VVZLKJSCGVRDJP-ZDUSSCGKSA-N 298.386 3.972 30 20 CHED C#C[C@@](C)(CC)NCc1csc(-c2ccc(C)o2)n1 852099583 NFKZMPOQZXCHTJ-HNNXBMFYSA-N 274.389 3.603 30 20 CHED C[C@@H]1/C(=C\c2ccccc2C#N)C(=O)c2c(O)ccc(F)c21 755583224 CRBFXYRVBIOYNF-SEEODLKFSA-N 293.297 3.786 30 20 CHED CC(C)(CC#N)CNc1c(Br)cccc1C#N 865869932 MBBZZJOUCVGAJM-UHFFFAOYSA-N 292.180 3.673 30 20 CHED N#Cc1cc(COC(=O)C(F)=C2CCCC2)ccc1F 761965387 MRZDIHLJEAJSJR-UHFFFAOYSA-N 277.270 3.538 30 20 CHED CC(C)CC(=NNc1cccc([N+](=O)[O-])c1)c1ccccn1 760225411 KENRGQBFEZFVLH-UHFFFAOYSA-N 298.346 3.852 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(OC(C)(C)C)c1 934049743 DDWQJFODCOPRLZ-UHFFFAOYSA-N 276.380 3.904 30 20 CHED CC[C@@H](C)N(CC)C(=O)Nc1cc(C#N)ccc1C 930018400 MYMFOJJLTNTZCM-GFCCVEGCSA-N 259.353 3.519 30 20 CHED CC(C)(C)c1nc(C(=O)O[C@@H](C#N)C(C)(C)C)cs1 765635323 VSSYRAKXVIAZKP-JTQLQIEISA-N 280.393 3.536 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc3c(c2)ncn3C)o1 761205060 KZTZCVVFNMQSOE-VMPITWQZSA-N 280.327 3.625 30 20 CHED C[C@@H]1CCc2c(C(=O)OCC3(C#N)CCC3)csc2C1 768095799 AHNZTBNMZYFBJM-LLVKDONJSA-N 289.400 3.724 30 20 CHED CCc1ccc(C=NNc2ccc(OC(F)F)cc2)o1 760247990 GJASGCIGUUBUHB-UHFFFAOYSA-N 280.274 3.889 30 20 CHED C[C@@H](C(=O)OCCCCC(C)(C)C#N)N1CCCCCC1 768719565 SKWHJSTUTHKHAH-HNNXBMFYSA-N 294.439 3.514 30 20 CHED Oc1cccc(/C=N/Cc2cccc(Cl)c2F)c1O 1116141150 ZCRCRMIMRXOLNO-CAOOACKPSA-N 279.698 3.509 30 20 CHED CCCCN(C(=O)CC#Cc1ccccc1)c1cccnc1 1119292174 YNXLWEKOKSZHRP-UHFFFAOYSA-N 292.382 3.657 30 20 CHED CC(CCCCO)=NOc1ccccc1C(F)(F)F 766715105 LTHVZEUJFABYHJ-UHFFFAOYSA-N 275.270 3.623 30 20 CHED C#CCCCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)[nH]n1 760812736 MYWXQMSMPMVODF-UHFFFAOYSA-N 295.386 3.744 30 20 CHED CC(=O)[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccccc1 1118416020 HLJJHXHMOYSTSW-KRWDZBQOSA-N 299.370 3.724 30 20 CHED Cc1ccc(C(=O)OCCCCC(C)(C)C#N)c(O)c1 768358577 YSJDUXBIOKIJAJ-UHFFFAOYSA-N 275.348 3.578 30 20 CHED CC[C@@H](NC1CCC(C)(C#N)CC1)[C@@H](O)c1ccccc1 872132431 HPOPSKJDZNNTBZ-UMQBVGHOSA-N 286.419 3.561 30 20 CHED Cc1cccc(NN=C2C[C@@H](C)c3c(C)ccc(O)c32)n1 1118953399 PWBWRJMCCOOCOE-LLVKDONJSA-N 281.359 3.727 30 20 CHED CC[C@H](C)NN=C(C)CCc1cncc2ccccc12 872369048 ZIOOUZPEZANNCR-ZDUSSCGKSA-N 269.392 3.931 30 20 CHED CC(=NOCC(C)C)c1cnn(-c2ccccc2)c1C 1116348025 JSRMYNGZCNDOTG-UHFFFAOYSA-N 271.364 3.577 30 20 CHED CN(C)c1cccc(Cl)c1CN1CCC[C@](C)(C#N)C1 1116554808 GCHVVQZPSJTDEA-MRXNPFEDSA-N 291.826 3.532 30 20 CHED C[C@H](CCC#N)CNc1ccc(OC(F)F)cc1F 877503199 FVXVSFQOAVIULS-SECBINFHSA-N 272.270 3.779 30 20 CHED N#Cc1c(F)cccc1C(=O)OCc1cc2ccccc2o1 777449069 VBQBCGGMEJVUBN-UHFFFAOYSA-N 295.269 3.801 30 20 CHED COC1CCC(=NN[C@@H](Cc2ccccc2)C(C)C)CC1 777449231 UHGBSLLWBMFCFL-ZVAWYAOSSA-N 288.435 3.788 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@](C)(C#N)C1 770127799 OYROAZXJXIYISX-AWEZNQCLSA-N 293.754 3.687 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)O[C@@H](C#N)C1CCCCC1 776392980 XHUXXQUJIUVNJU-ZBFHGGJFSA-N 295.423 3.843 30 20 CHED C#CCCCCc1nc(C(C)(C)c2ccccc2)no1 771222441 OIOQYZSBZZWGJF-UHFFFAOYSA-N 268.360 3.742 30 20 CHED C#CCCCCC(=O)Nc1nc(CC(C)(C)C)cs1 776544087 DVDBDRGPZKLHMD-UHFFFAOYSA-N 278.421 3.864 30 20 CHED CC1(CNc2cccc(CC#N)n2)CCCCCC1 771756715 QOBLBVQOOGYVSP-UHFFFAOYSA-N 257.381 3.920 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2ccc(C)cc2C)c1 774117592 YBWLTDQWEYTCGK-ALCCZGGFSA-N 284.311 3.579 30 20 CHED CCNc1ccc(C#N)cc1NCCCC(C)(C)C#N 776849855 VUCCZCVVJMFMAM-UHFFFAOYSA-N 270.380 3.732 30 20 CHED CC[C@H](Nc1snc(Cl)c1C#N)c1ccccn1 1120875477 XKMXKVSBUPBSKJ-VIFPVBQESA-N 278.768 3.626 30 20 CHED CCCCC[C@@H](CC)C(=O)Nc1ccc(C#N)c(C#N)c1 776209716 SHXGUECFTOYGGI-CYBMUJFWSA-N 283.375 3.975 30 20 CHED C=CCCN(C)Cc1ccc(OCc2ccccc2)cc1O 786578794 NARJMNPMNWLNAV-UHFFFAOYSA-N 297.398 3.979 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@H](C)CC#Cc1cccnc1 1123062772 VLYGYRUJUFPLFZ-PBHICJAKSA-N 291.366 3.673 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 781800995 JHMHISGRFPMWLQ-IUODEOHRSA-N 271.360 3.989 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NN[C@H]1CCOC(C)(C)C1 780245781 AXEXUKRCQYMSFX-KBPBESRZSA-N 286.419 3.754 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C(C)C)[C@H](O)c1ccccc1 788625869 JALIOMUGYAXMKT-UOVPBQLFSA-N 275.436 3.935 30 20 CHED Cc1cc(C#N)ccc1N[C@H](C)C[C@H](O)c1cccs1 1120033820 UDSDGMLAEJKGIJ-DOMZBBRYSA-N 286.400 3.852 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1c[nH]c2ccc(C#N)cc12 782286165 DKPUZTDEXOARHM-MRXNPFEDSA-N 280.375 3.542 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2ccc(C#N)cc2)CC1 897588793 NMRRIINZILWFQN-HNNXBMFYSA-N 281.403 3.678 30 20 CHED CCOc1ccc(C=NNc2ccc3[nH]ncc3c2)cc1F 782268469 MLOPTDOIPYMXSS-UHFFFAOYSA-N 298.321 3.547 30 20 CHED O=C(/C=C/c1cnn(CC2CCC2)c1)c1ccc(F)cc1 899336354 UJBRMPSBWFHAGM-RUDMXATFSA-N 284.334 3.718 30 20 CHED CC(CCC1CCCCC1)=NNCCc1ccncc1 789094061 OSEYMGAQMCWGMB-UHFFFAOYSA-N 273.424 3.950 30 20 CHED C=C1CCC(C(=O)Nc2cc3n[nH]cc3cc2C)CC1 896180571 BXSJSJILUKLALC-UHFFFAOYSA-N 269.348 3.556 30 20 CHED CC(C)(C)CCCOC(=O)c1ccccc1OCC#N 781169610 SMEBXBHUCPRTJZ-UHFFFAOYSA-N 275.348 3.572 30 20 CHED C=Cc1ccc(B(OCCCC)OCCCC)cc1 169874561 FMCWKSPNBZWDIL-UHFFFAOYSA-N 260.186 3.658 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC1CC1 409446041 WQBAPIRTQJAUBG-SJORKVTESA-N 254.377 3.558 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H]1Cc1ccccc1 409445710 ILNOAIZIHXFURR-MRXNPFEDSA-N 256.393 3.633 30 20 CHED CO[C@]1(C)CCCN(c2ccc(C#N)c(Cl)c2)CC1 280299375 RJASXJPYSHGXNN-OAHLLOKOSA-N 278.783 3.607 30 20 CHED CC[C@@H](C)CON=C(C)c1c(F)cccc1OC 793160996 YXKFZRRJTCLOKK-SNVBAGLBSA-N 253.317 3.621 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(Oc3ccccc3)o2)C1 896507192 ZIGQRQRLOCAIPP-CQSZACIVSA-N 282.343 3.807 30 20 CHED CSCCON=Cc1c[nH]c2cc(Cl)ccc12 794577206 OKMLJBISSOUNQA-UHFFFAOYSA-N 268.769 3.535 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)no1 798230269 METOKFRVSIRZBT-DAXSKMNVSA-N 293.269 3.523 30 20 CHED Cc1nc(C(C)C)oc1C(=O)O[C@H](C#N)C1CCCCC1 796183398 KMWBNXTUXBTFQT-CYBMUJFWSA-N 290.363 3.736 30 20 CHED CC/C=C\CCOC(=O)C(C)(C)c1cc(F)cc(C#N)c1 796859906 QUMZENAZNQJYAF-WAYWQWQTSA-N 289.350 3.874 30 20 CHED Cc1n[nH]c(C)c1/C=C1\CC(C)(C)c2ccccc2C1=O 794970247 XLMIBFDCLFNCCU-UKTHLTGXSA-N 280.371 3.974 30 20 CHED Cn1cnc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)c1 798231658 JLSZZSYNUBPGLL-ONEGZZNKSA-N 286.718 3.716 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)C(C)C 799046641 NFQPEVHYMVXRCG-OTWHNJEPSA-N 291.394 3.717 30 20 CHED N#CC1(COC(=O)c2cccc(C3CCC3)c2)CCC1 798854541 YVUYDJFDXQGMAL-UHFFFAOYSA-N 269.344 3.805 30 20 CHED CC[C@](C)(C#N)C(=O)OCC[C@@H]1CCC[C@H](C)C1 797132329 PRKHPPWOPMZVMF-KCQAQPDRSA-N 251.370 3.686 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccc([N+](=O)[O-])cc2)CC1 790178972 PJCWRVBZKSJTLF-UHFFFAOYSA-N 289.379 3.687 30 20 CHED C=CCCCCC[C@H](C)NCc1cccc(CO)c1 793528158 SBOJNVWRDULQNV-HNNXBMFYSA-N 261.409 3.794 30 20 CHED Cc1cc(C)c(C#N)c(NCc2c(C)cccc2C)n1 765596627 UXFXOQMKAIGLPT-UHFFFAOYSA-N 265.360 3.799 30 20 CHED CC(C)[C@H]1CCC[C@@H]1Nc1cccc(OCC#N)c1 768519872 ZVBWZDZYDPLAOR-CVEARBPZSA-N 258.365 3.826 30 20 CHED COc1cc(Cl)ccc1NCc1cccc(C#N)c1 774365188 ZSOAIYYDXRRRQD-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CC(Cc1ccccc1Cl)=NNc1ccccn1 1318814857 UNDPXNLJZAXOOY-UHFFFAOYSA-N 259.740 3.766 30 20 CHED Cc1ccc(OC(=O)C2(c3cccc(C#N)c3)CC2)cc1 1319404163 RDOVIARYRJHVJB-UHFFFAOYSA-N 277.323 3.504 30 20 CHED CC(C)(CCNC(=O)Nc1cc(C#N)ccc1F)C1CC1 1310852753 SXGHVMYXANKZAF-UHFFFAOYSA-N 289.354 3.645 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 1322689933 VRXPAPKKCUSWIX-ZBFHGGJFSA-N 282.387 3.519 30 20 CHED C=C[C@H](Cc1nnc(CC(F)(F)F)o1)c1ccccc1 1328404172 XUGKLIGMRDDECV-SNVBAGLBSA-N 282.265 3.687 30 20 CHED CC(C)(C)Oc1ccc(CCN[C@H]2CC[C@H](C#N)C2)cc1 1325159912 UNDVRVDDILXXSM-HOTGVXAUSA-N 286.419 3.688 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1(C(C)(F)F)CC1 1329644437 XZAAGCMZKFBWIR-UHFFFAOYSA-N 293.357 3.679 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)OCc1ccc(C#N)cn1 1320777751 VJFODHOKMOZWDF-CQSZACIVSA-N 286.375 3.603 30 20 CHED N#CCOc1cccc(NCc2ccc3c(c2)CCCO3)c1 1334219028 XYPXRBDPPWEJKU-UHFFFAOYSA-N 294.354 3.526 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C 1252495440 NETNTBKRXCWLAM-UHFFFAOYSA-N 291.782 3.864 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCCC[C@@H](C)C1 1340397919 ITRDSQDBQIQDHX-OLZOCXBDSA-N 294.468 3.515 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)c1ccsc1C#N 1349805744 YRCVDHZPSOXDGF-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(OCC3CC3)nc2)n1 1261241631 SEAXSZIPDRVJAP-UHFFFAOYSA-N 299.374 3.774 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc(CCC(C)=O)cc1 1263299145 USOYFYDCUKJXQM-AWEZNQCLSA-N 274.360 3.716 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccn(C2CCCCC2)n1 1347701742 MDCOLAUSFDMNPT-UHFFFAOYSA-N 275.396 3.929 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1C[C@@H](C)[C@@H](C)C1 1507853659 KHHBSZZTYMKWBX-SDDRHHMPSA-N 296.846 3.636 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1csc(C#N)c1 1350316298 NMDNCMZKDSRZGF-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)CC#Cc1cccnc1 1515324809 ZCJZUILKGDWWKF-HNNXBMFYSA-N 283.371 3.523 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@@H]1CC 1295028866 DKHUTXVMEZJCLT-UONOGXRCSA-N 285.391 3.755 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)ccc1F 1523817499 GJZYBDHHDSQAMV-ZIAGYGMSSA-N 288.366 3.644 30 20 CHED CN(Cc1cc(C#N)ccn1)c1ccc(C(C)(C)C)cc1 1459349539 SWCLPEWOFCDDFJ-UHFFFAOYSA-N 279.387 3.887 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)ccc1C)C1CCC1 1451244079 TUSWENPHDLCYFD-INIZCTEOSA-N 270.376 3.565 30 20 CHED C=C(CNC(=O)NCC(C(C)C)C(C)C)c1ccccc1 1469848396 FKKPLGGFZPYLLL-UHFFFAOYSA-N 288.435 3.927 30 20 CHED N#CCC1(CSCc2cccc(C(=O)O)c2Cl)CC1 1601062007 CZZBOOYYYGQJAI-UHFFFAOYSA-N 295.791 3.965 30 20 CHED CC[C@H](NC(=O)[C@H](CC#N)c1ccccc1)[C@H]1CC1(C)C 1536675087 JLCKMQZHLXSOKN-OAGGEKHMSA-N 284.403 3.625 30 20 CHED Cc1ccc(C)c([C@@H](C)OC(=O)c2ccc(C#N)o2)c1 1536164468 MVCGHNUIVRBHFX-GFCCVEGCSA-N 269.300 3.686 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(C(F)F)cc2)c1 1533223523 NTKFYHLHKPPWSJ-UHFFFAOYSA-N 286.281 3.943 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@H](c2ccccc2)C2CC2)c1 1535146584 XJWRAURZVGKXOV-QGZVFWFLSA-N 294.329 3.830 30 20 CHED Cc1cc(N2CC[C@H](CC(C)(C)C)C2)ncc1C#N 1472809347 GBYXDVBKHGHNTF-CYBMUJFWSA-N 257.381 3.524 30 20 CHED CCOc1ccc(Cl)cc1CN1CCC[C@](C)(C#N)C1 1474388450 JQAIBHZOTDFFHR-MRXNPFEDSA-N 292.810 3.864 30 20 CHED N#Cc1cc(NC(=O)c2ccsc2Cl)c(F)cc1F 1535867263 FFUHIAHXATYEMY-UHFFFAOYSA-N 298.701 3.804 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)C1(C)C 1473181612 ODOADTPZXLRITI-HZPDHXFCSA-N 292.467 3.986 30 20 CHED C=CCCCS[C@@H](C)C(=O)N(C)Cc1ccccc1 117944819 HDFCMNWBGBWFIF-AWEZNQCLSA-N 277.433 3.733 30 20 CHED C[C@@H]1CC[C@H](CSc2ccc(Cl)cc2C#N)O1 1613583943 BSKOERJROJXJCM-BXKDBHETSA-N 267.781 3.871 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cccc(C#N)n1 1474559758 CLOCBULOMFXRHU-KBPBESRZSA-N 271.408 3.600 30 20 CHED CS[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 1543579347 PXVAGZKORUICGK-INIZCTEOSA-N 296.395 3.795 30 20 CHED CCC(CC)n1ccc(CN2CCc3c(C#N)cccc32)n1 1559927100 HMKVTKKTYSDQEE-UHFFFAOYSA-N 294.402 3.679 30 20 CHED Cc1nc(NCC2(c3ccccc3F)CCC2)ccc1C#N 1559227995 MJFPAGXYLJKPIR-UHFFFAOYSA-N 295.361 3.935 30 20 CHED C=C(Br)CN1CCC[C@H](C)[C@H]1CCC 1559615814 KICPIARVIUOMIG-CMPLNLGQSA-N 260.219 3.796 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@H]2c2ccc(F)cc2)c1 1562143916 VQWRWZSVILSGFN-INIZCTEOSA-N 295.317 3.676 30 20 CHED CC1(C)CCCN(Cc2ccc(F)c3cccnc23)[C@@H]1C#N 1645514617 VALYEBBQGCRIEN-MRXNPFEDSA-N 297.377 3.888 30 20 CHED CC[C@@H]1CCCN(c2ncc(Cl)c(C)c2C#N)CC1 1650744653 JECNSDCDPGKWLS-GFCCVEGCSA-N 277.799 3.932 30 20 CHED C=C(Cl)CN1CCCc2c(OC(F)F)cccc21 1653716465 MDGUMUXRLVDTOP-UHFFFAOYSA-N 273.710 3.793 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cc1OC)C1CCC1 1654694236 BFIBZFGTMZNZPA-MRXNPFEDSA-N 272.392 3.625 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCCC2(C)C)c1C#N 1651588047 SKCVOBRVGPSPQF-LBPRGKRZSA-N 263.772 3.906 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC2(C)CCCCC2)c1 1678413471 VHPNHTOMVSABDM-UHFFFAOYSA-N 285.391 3.959 30 20 CHED C=C1CC(CN2CCC(c3ccc(C(=O)O)cc3)CC2)C1 1776144826 YCXBNRZCTTXDDU-UHFFFAOYSA-N 285.387 3.530 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H](C)C[C@H](C)CC)CC1 1776159702 XLALSKWTFRYIMQ-CABCVRRESA-N 281.440 3.802 30 20 CHED CCC1(CC)CCC(NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1680763797 SSZGHRAZPRFZFH-DZGCQCFKSA-N 291.439 3.727 30 20 CHED CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2(C#N)CCCC2)cc1 151666177 KTLCZJFOAKQKHT-DLBZAZTESA-N 296.414 3.866 30 20 CHED C=C[C@H](C)NCc1csc(COc2ccc(C)cc2)n1 153654978 WIYQYODMUZUSMM-ZDUSSCGKSA-N 288.416 3.695 30 20 CHED Cc1csc(C(=O)N(C)c2cccc(C#N)c2)c1Cl 234267029 BZZHDMXSPBUIAU-UHFFFAOYSA-N 290.775 3.858 30 20 CHED C#Cc1ccc(CNCc2ccc(Cl)c(C)c2)cc1 809639948 QKZYBDAONPFXOB-UHFFFAOYSA-N 269.775 3.920 30 20 CHED C#Cc1ccc(CNCc2cc3c(s2)CCCC3)cc1 809611160 TUNXMWHNVCCZEN-UHFFFAOYSA-N 281.424 3.898 30 20 CHED N#Cc1ccnc(N[C@@H]2CCc3ccccc3C2)c1Cl 236051725 YNUGMIVMADIJIS-CQSZACIVSA-N 283.762 3.576 30 20 CHED C[C@H](NCCc1ccccc1F)c1ccc(C#N)cc1 19912674 AOSRUVXJPRWZEZ-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED C[C@@H](CNc1cccc(OCC#N)c1)c1ccccc1 37069433 ZCTFATCOMUWWEM-AWEZNQCLSA-N 266.344 3.805 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C=C1CCC1 279276073 ABYXIQQRVVOIGY-UHFFFAOYSA-N 255.361 3.702 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)c1nnc(C)s1 297785800 GZCLXQIHBMGQGX-LBPRGKRZSA-N 273.405 3.596 30 20 CHED N#Cc1ccc(NC(=O)CC2CCC2)cc1C(F)(F)F 72499499 PUDCUXPBZKTWRF-UHFFFAOYSA-N 282.265 3.706 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1C[C@H]2CC[C@H]1C2 404262863 SRSKZDPBELPBPK-TWJWRFFLSA-N 272.367 3.612 30 20 CHED CCOc1ccc(Nc2ncc(C#N)cc2Cl)cc1 513616195 YDYBFBSVFWMTTN-UHFFFAOYSA-N 273.723 3.749 30 20 CHED N#CCc1ccc(CNc2c(F)cccc2F)cc1 342440979 LNNMLDZPIXUINA-UHFFFAOYSA-N 258.271 3.643 30 20 CHED CC[C@@H](C)CCNc1nc(C(F)(F)F)ccc1C#N 696230682 RMKQJBXUIXEOHX-SECBINFHSA-N 271.286 3.820 30 20 CHED CC[C@H](C)[C@@H](CNc1ccc(Cl)cc1C#N)OC 394456810 JODMODPAQGHUFN-IINYFYTJSA-N 266.772 3.685 30 20 CHED C=CCCC(=O)Nc1cccc(N(C)C(=O)CCC=C)c1 102234239 QUXPMVNROUDEAB-UHFFFAOYSA-N 286.375 3.520 30 20 CHED C=CCCC(=O)Nc1nc(-c2ccccc2F)cs1 102237574 CQJKDLKJGZWCES-UHFFFAOYSA-N 276.336 3.854 30 20 CHED N#CCCCCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 170968041 KPXKZXLEARUIPC-MSOLQXFVSA-N 292.382 3.753 30 20 CHED Cc1cccc([C@H](C)NC(=O)Cc2ccc(C#N)cc2)c1C 172170397 KKPQDEKBPWHCOH-HNNXBMFYSA-N 292.382 3.595 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCSc2ccccc21 53962692 CECVDDLOLRMUSM-AWEZNQCLSA-N 290.432 3.831 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 111901370 KZYYWIUZSYBAMR-IRXDYDNUSA-N 286.419 3.930 30 20 CHED C[C@H](CC(=O)OCC1(CC#N)CC1)c1cccc(F)c1 174754132 UFGPPCOTKRMAPE-GFCCVEGCSA-N 275.323 3.556 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)cc1 119918351 PASDKXMYOBFBGC-ZIAGYGMSSA-N 297.402 3.752 30 20 CHED CC(C)[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 172087946 IXWAVUYJOLNTDA-AAEUAGOBSA-N 299.399 3.673 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1 112775611 BAQPTPKNJLDLFH-GJZGRUSLSA-N 298.292 3.579 30 20 CHED O=C(/C=C/c1ccc(F)cc1Cl)c1ccco1 118978594 MPUZEUMAAGRQAK-GQCTYLIASA-N 250.656 3.968 30 20 CHED C[C@@H](NCC#N)c1ccc(Oc2ccccc2)c(F)c1 179962332 BUKUPKAEZYQSHB-GFCCVEGCSA-N 270.307 3.792 30 20 CHED C=C[C@@H](C)N[C@H](C)c1sc(-c2cccnc2)nc1C 119345778 BVTMJGDUEABZRN-GHMZBOCLSA-N 273.405 3.739 30 20 CHED N#Cc1ccc(C(=O)Nc2ncccc2-c2ccccc2)cc1 179467307 QFDBRIVBRSRPEB-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CN(C)[C@@H](CNc1ccc(Cl)cc1C#N)c1ccco1 68658546 AHQODKOUJDPJRA-AWEZNQCLSA-N 289.766 3.519 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccccc1)C(C)C 116935929 WXWSOTSGOYJPSU-HIFRSBDPSA-N 260.381 3.648 30 20 CHED Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@H](C)C#N 123647759 XDDKHRJVBMXJPL-KGLIPLIRSA-N 257.381 3.698 30 20 CHED CC(C)(C)[C@H]1OCCC[C@H]1CNc1ccc(C#N)cc1 301289637 OGRWRWHKXJNDEZ-HOCLYGCPSA-N 272.392 3.811 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 301104881 JBUSISKPBOWDKJ-KDOFPFPSSA-N 278.355 3.525 30 20 CHED C[C@H](Sc1ccccc1C#N)C(=O)Nc1ccccc1 173708933 JCAMWNYLZSGXKM-LBPRGKRZSA-N 282.368 3.678 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(OC)c(COC)c1 281508987 HDELUIXWKKDTDF-CJNGLKHVSA-N 277.408 3.847 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccccc1F 182641818 IEONVUKUOJOQDY-QWHCGFSZSA-N 263.356 3.790 30 20 CHED Cc1cc(O)c(CNc2ccc(CC#N)cc2)cc1C 185148780 ZKMDAYPJCFGQFU-UHFFFAOYSA-N 266.344 3.687 30 20 CHED COc1ccc(C/N=C(/N)Nc2cccc(C(C)C)c2)cc1 303723436 YZNSFQJGSWHBKW-UHFFFAOYSA-N 297.402 3.745 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2cccc(F)c2F)c1 182724565 LDNMMHHWNYLKOR-BQYQJAHWSA-N 269.250 3.733 30 20 CHED Cc1nnc(-c2cccc(N[C@@H]3CCC[C@@H](C#N)C3)c2)o1 185748438 YUNPEQHGSAZJBK-TZMCWYRMSA-N 282.347 3.539 30 20 CHED Cc1ccsc1-c1nnc(S[C@@H](C)CCC#N)o1 188313982 LWNDKIXHTRPUGR-VIFPVBQESA-N 279.390 3.891 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1ccccc1O 189909277 OSDWDQXCBITVHG-UHFFFAOYSA-N 297.354 3.542 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 180677816 GONOOYNWKGEWAK-CQSZACIVSA-N 290.407 3.819 30 20 CHED COc1ccc(C#N)cc1CSCCC(F)(F)F 358545335 MTGSAWPGZZSXAY-UHFFFAOYSA-N 275.295 3.752 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)CCc1ccccc1 120957364 WYFZMVPGNXUXIS-HNNXBMFYSA-N 271.404 3.892 30 20 CHED CC(C)CCn1ccc(N[C@H](C)c2cccc(C#N)c2)n1 183050220 HBQGFCHCZKBPHH-CQSZACIVSA-N 282.391 3.974 30 20 CHED C=CCN1C(=O)/C(=C/c2ccc(F)c(C)c2)SC1=S 78493993 MUDAMUMYZHMBHP-WQLSENKSSA-N 293.388 3.521 30 20 CHED C=C(C)[C@H](NCCC(=O)OC(C)C)c1ccc(F)c(F)c1 187766721 VVCAIHPZRMAINZ-INIZCTEOSA-N 297.345 3.513 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccc(F)cc1F)C(C)C 181649585 YMLGTJRDJZZOMS-CZUORRHYSA-N 283.362 3.579 30 20 CHED N#CCN(C(=O)c1cccc(C(F)(F)F)c1)C1CCCC1 78003221 HSYXXOGWTGVUGF-UHFFFAOYSA-N 296.292 3.614 30 20 CHED C=CCC1(C(=O)NCc2ccc(OC)c(Cl)c2)CCC1 189509262 RJGUADSPISYFCM-UHFFFAOYSA-N 293.794 3.711 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1cccnc1 181376562 UTMXKFOAKRYXFG-ZIAGYGMSSA-N 275.396 3.529 30 20 CHED C=CC[C@H](C(=O)Nc1cccc(C)n1)c1ccccc1 186221326 HIIUXEGMIHGNDE-HNNXBMFYSA-N 266.344 3.688 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 213705389 UERYCQKVPXFVSE-DAXSKMNVSA-N 297.310 3.813 30 20 CHED N#Cc1cc(N(C#N)C[C@@H]2CCCC(F)(F)C2)ccc1F 509068751 ROKLQTXYAXTXAY-LLVKDONJSA-N 293.292 3.810 30 20 CHED Cc1oc2ccc(NC(=O)N(C)[C@H](C)CC#N)cc2c1C 186484117 JFUHLZBCSVYTLK-SNVBAGLBSA-N 285.347 3.816 30 20 CHED O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccc[nH]1 73716502 NACCKQPMECBGKQ-UHFFFAOYSA-N 286.334 3.667 30 20 CHED C=C(C)CN(C)C(=O)NCC1(c2ccccc2Cl)CC1 181646835 OHFFGQFUGPZBNA-UHFFFAOYSA-N 292.810 3.589 30 20 CHED N#CC1(NC(=O)c2cc3cc(Cl)ccc3o2)CCCC1 122043260 YFZPZYPUNSZIIZ-UHFFFAOYSA-N 288.734 3.652 30 20 CHED C[C@@H]1Cc2ncn(Cc3ccc(C#N)cc3Cl)c2C[C@H]1C 315352887 DAJMYBNRASPBGS-VXGBXAGGSA-N 299.805 3.827 30 20 CHED C[C@H](NC[C@H]1Cc2ccccc21)c1ccc(OCC#N)cc1 315669295 ZUENXRHSDFTOEM-WMLDXEAASA-N 292.382 3.579 30 20 CHED CC1(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCCC1 416103273 ORZUUECSXMCAPD-INIZCTEOSA-N 282.387 3.632 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 42381092 AFJHWXIORBQCMM-NVXWUHKLSA-N 282.387 3.547 30 20 CHED CC(C)(C#N)CCOc1ccc(F)c(Br)c1 137549569 SCZNTDWNTIEISV-UHFFFAOYSA-N 286.144 3.907 30 20 CHED Cc1cc(F)ccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 76028573 PJBAGPPPGVXVIA-GFCCVEGCSA-N 297.333 3.889 30 20 CHED N#CCCSCCOc1ccc2ccccc2c1 413010562 GYKAWWWFZRBGFS-UHFFFAOYSA-N 257.358 3.865 30 20 CHED C[C@H](CCC#N)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 412077842 UAYSQGZCAMZELY-CABCVRRESA-N 294.439 3.513 30 20 CHED CCN(CCC#N)C(=O)c1ccccc1Oc1ccccc1 133541646 FADYNXITXACCAA-UHFFFAOYSA-N 294.354 3.855 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2cccc(C#N)c2C)c1C 509437975 JHXPTBCLZRAJSB-HNNXBMFYSA-N 292.382 3.975 30 20 CHED CCNc1c(C#N)cnc2c(Br)c(C)ccc12 132148777 XXXDVINENOEPTI-UHFFFAOYSA-N 290.164 3.609 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2Cl)cc1 49904432 VFBQRBNHATVSPA-MRXNPFEDSA-N 298.773 3.897 30 20 CHED C=C(CC)CN[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 379659000 XZWZLMWQMCTDJI-FUHWJXTLSA-N 272.436 3.595 30 20 CHED C=CCSCC(=O)Nc1c(C)cccc1C(C)C 193355294 ZAVDVPFSFJHOAL-UHFFFAOYSA-N 263.406 3.976 30 20 CHED COc1ccc(-c2nc(CSCCCC#N)co2)cc1 190899784 RJVJLSFAYDAWOJ-UHFFFAOYSA-N 288.372 3.887 30 20 CHED C=CCOCCCN1CC[C@](F)(c2cc(C)cc(F)c2)C1 502904894 UKOGAAIQMRDLDJ-QGZVFWFLSA-N 295.373 3.597 30 20 CHED CCc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)o1 83982134 BYBLGEBYAQZBDQ-HWKANZROSA-N 277.301 3.708 30 20 CHED COc1cccc(/C=N/C[C@H](C)Oc2cccc(C)c2)c1O 132357158 FKRXFKGNCOCGNL-BXUJETTOSA-N 299.370 3.596 30 20 CHED C=CCN(C)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 192333924 DYSXDVUOWOHLQF-UHFFFAOYSA-N 298.390 3.645 30 20 CHED C[C@H](OC(=O)Cc1ccc(C#N)cc1)c1cccc(F)c1 195424646 XONLCTOPJVLPAE-LBPRGKRZSA-N 283.302 3.544 30 20 CHED Cc1cc([C@@H](C)/N=C(/O)c2csc(O)n2)c(C)s1 329908468 LTGASRMHRYPHKC-SSDOTTSWSA-N 282.390 3.593 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1F 424760786 VSGSISLDZCBHAT-IUODEOHRSA-N 293.382 3.620 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1sc(CCC)nc1C 424782020 XIGHUKQYROXQPH-UHFFFAOYSA-N 266.410 3.945 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCC#Cc1ccc(F)cc1 429680636 IJNCPOUPBOQOGB-IRXDYDNUSA-N 291.435 3.831 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCC[C@@H](O)C1 229730848 XHKJHLGOPQCPJY-GXFFZTMASA-N 298.308 3.540 30 20 CHED CS[C@@H]1CCC[C@H](/N=C(/O)C[C@H]2CCCC(O)=N2)C1 329347996 VSOBRXVYPUUPDM-QJPTWQEYSA-N 284.425 3.516 30 20 CHED C=CCOc1ccc(C(=O)Nc2c(C)cccc2OC)cc1 195024453 FFQODHDEKYFWRE-UHFFFAOYSA-N 297.354 3.821 30 20 CHED CN(Cc1ccco1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193045106 FQVMUQFQUAVKJW-UHFFFAOYSA-N 297.358 3.745 30 20 CHED C=CC[C@H](C(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 426573546 NHLYZTZQBNATHI-UXLLHSPISA-N 271.404 3.851 30 20 CHED CC(C)(C)c1ccc(C[S@](=O)CCCC#N)cc1 190733010 OOCKNLDVEYNSID-GOSISDBHSA-N 263.406 3.537 30 20 CHED N#Cc1cccc(/C=C2\Cc3c(F)cc(F)cc3C2=O)c1 131164745 VXMUNUNYMGICQH-LFYBBSHMSA-N 281.261 3.659 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)[C@H](C)c1ccc(F)cc1 46644774 DJOSXENGSZXLOA-CYBMUJFWSA-N 296.345 3.921 30 20 CHED O=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F 226599889 BVVKYEHEJCZRFG-UHFFFAOYSA-N 289.150 3.544 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 336231125 QXVGCIJXDPUSDA-YMTOWFKASA-N 297.185 3.502 30 20 CHED C[C@H](Sc1nnc(C2CCC2)n1C)c1cccc(C#N)c1 333555276 QQHZQQVPQHGEOA-NSHDSACASA-N 298.415 3.808 30 20 CHED Cc1cccc2nc(N3CCC(CC#N)CC3)sc12 336366288 JMJCHKVKKBMRSX-UHFFFAOYSA-N 271.389 3.735 30 20 CHED N#Cc1ccc(Cl)c(C(=O)NC2CCC(F)(F)CC2)c1 336336280 IBYBLUIUIULIIB-UHFFFAOYSA-N 298.720 3.519 30 20 CHED N#Cc1ccn(Cc2coc(-c3cccc(Cl)c3)n2)c1 339193097 QPCPQZIVHDVCKP-UHFFFAOYSA-N 283.718 3.716 30 20 CHED CCO[C@H](C/N=C/c1cccc(OC)c1O)c1ccccc1 194515820 OGNSTYZHTWCFPH-MIQLPHMESA-N 299.370 3.598 30 20 CHED CCCc1csc(CN(C)Cc2cccc(C#N)c2)n1 426034560 IFVGYBVSXNGWTR-UHFFFAOYSA-N 285.416 3.599 30 20 CHED Cc1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)c2ccccc2c1 334648000 ZTNBWRRCELEOBO-SJCJKPOMSA-N 264.328 3.637 30 20 CHED N#Cc1cnc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c(Cl)c1 513604071 TVAQBQREVJEKIE-GEJOOGBSSA-N 287.794 3.843 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2nccn2C)c1 190760566 UXXQMPXZFYCNEX-KRWDZBQOSA-N 283.375 3.628 30 20 CHED O=C1/C(=C\c2ccsc2)CCc2ccc([N+](=O)[O-])cc21 193154113 ADFKPQAZDWBHGV-GHXNOFRVSA-N 285.324 3.869 30 20 CHED C=CCOCCN[C@@H](CC(C)C)c1ccccc1OC 339077719 VDFCQHQLNPLYFJ-INIZCTEOSA-N 277.408 3.575 30 20 CHED CSc1ccccc1C(=O)Nc1scc(C)c1C#N 335994126 RDEJZFGPRHVSAG-UHFFFAOYSA-N 288.397 3.902 30 20 CHED Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c(C)c1O 335682261 YKZKIOKQOAWGCD-GFCCVEGCSA-N 294.354 3.623 30 20 CHED C=CCCc1csc(-c2ccc([N+](=O)[O-])cc2)n1 90065529 FEYOAMCEFRWQNP-UHFFFAOYSA-N 260.318 3.837 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 331469855 CLQHYIKJJPSXOJ-ZACQAIPSSA-N 297.402 3.534 30 20 CHED N#Cc1ccc(Oc2ncccc2Br)c(F)c1 232351865 UKEWIYYDSLSXBK-UHFFFAOYSA-N 293.095 3.647 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cccc(OCC(F)F)c1 424637885 GCKQUABLAFJQIK-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)c1nc2c(s1)CCC2 335130709 HHFXJHFITZADNG-FZWSLVFFSA-N 289.448 3.755 30 20 CHED CC(C)[C@H](Cc1ccccc1)NCc1cccc(C#N)c1 427594472 QPQLFLMZCKHVTC-IBGZPJMESA-N 278.399 3.915 30 20 CHED N#Cc1c(Cl)cccc1N1CCC([C@H]2CCCO2)CC1 295077961 QXCMFYRPXDEDML-MRXNPFEDSA-N 290.794 3.607 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)c(Cl)c1Cl 336249798 ABUDNQOYNPGVSH-VIFPVBQESA-N 285.174 3.676 30 20 CHED CC(C)(C)c1cnc(N/C(O)=N/C[C@H]2CCCS2)s1 330935558 NWAAGNDHXCFIHX-SECBINFHSA-N 299.465 3.662 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(NC[C@H]2C[C@H]2C)cc1 437264570 YYDTWSDOLWDEFZ-GDBMZVCRSA-N 284.403 3.569 30 20 CHED Cc1cccc(CN(C)Cc2cc(C#N)cs2)c1C 430110196 HIAKZNXRYBWVDI-UHFFFAOYSA-N 270.401 3.869 30 20 CHED N#Cc1ccc(NC[C@H](c2ccccc2)C2CC2)cn1 431514776 UDQTYYJASFEPPA-QGZVFWFLSA-N 263.344 3.559 30 20 CHED CC(C)CN1C(=O)c2ccccc2N[C@]12CCC[C@H](C#N)C2 334883806 RFGOFCVCYMKREK-KBXCAEBGSA-N 297.402 3.620 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 437623299 BPHGTYWSAWHRNW-LISAXSMJSA-N 293.451 3.690 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ncc(-c2ccccc2)o1 332169890 KRKANGQBFZNEBX-NWANDNLSSA-N 281.359 3.684 30 20 CHED CCC(C)(C)C/N=C(/O)Nc1nc(C(F)(F)F)cs1 331194729 WQZCNFUWXLBNOE-UHFFFAOYSA-N 295.330 3.924 30 20 CHED CC(C)n1ncc2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc21 336171115 GWGZPNXLQNABHD-TZMCWYRMSA-N 268.364 3.721 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc2ccccc2o1 435744454 XNLYQRQIEFJTIE-WMLDXEAASA-N 271.360 3.504 30 20 CHED Cc1cc(NCc2ccccc2N(C)C(C)C)cc(C#N)n1 342947701 UAHSGOHYIDVORY-UHFFFAOYSA-N 294.402 3.718 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 341475661 YBJDJFDSXJQKQX-BXUZGUMPSA-N 262.740 3.586 30 20 CHED Cc1nccn1-c1ccc([C@H](C)NCC2(CC#N)CC2)cc1 348406481 SSIKEOHKBJYKEK-AWEZNQCLSA-N 294.402 3.525 30 20 CHED C[C@@]1(c2ccccc2)CC[C@H](NCC2(CC#N)CC2)C1 430741435 SWBKLXZIZXMNKL-DLBZAZTESA-N 268.404 3.780 30 20 CHED CC1(C)CN(CC#Cc2cccc(Cl)c2)CCS1 438471562 SVGVGRDXQHAGMK-UHFFFAOYSA-N 279.836 3.519 30 20 CHED CCOC1CC(N(C)c2ccc(C(F)(F)F)c(C#N)c2)C1 340877972 OUNHUCZKTISHSR-UHFFFAOYSA-N 298.308 3.581 30 20 CHED CC[C@H](C)CN(C)c1ccc(F)cc1CNCCCC#N 344308160 SPIAENSLRUJRLZ-AWEZNQCLSA-N 291.414 3.701 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc2c(c1)CCC2 436290251 IYEMMUAOYDRICJ-KYNGSXCRSA-N 285.431 3.807 30 20 CHED C[C@H](CCC#N)CNCCCc1ccc(Cl)cc1 602543083 HIHXWRPUPNKIFU-CYBMUJFWSA-N 264.800 3.802 30 20 CHED Cc1ccc(C)c(CSc2nc(C)nc(C)c2C#N)c1 344862338 XFSKQJSSBIJCLJ-UHFFFAOYSA-N 283.400 3.874 30 20 CHED COC1CCC(CCNc2nc(C)cc(C)c2C#N)CC1 347889768 XKGUHCHTGFQQDW-UHFFFAOYSA-N 287.407 3.577 30 20 CHED C=CCCN(C)C(=O)c1ccc(Oc2ccccc2)o1 344258342 AXWHPSWDUFXCIM-UHFFFAOYSA-N 271.316 3.720 30 20 CHED N#Cc1ccc(=NCC2(c3cccs3)CCCCC2)[nH]c1 523517032 JYBSSXMMTRROGF-UHFFFAOYSA-N 297.427 3.751 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(-n2ccnc2)cc1 348233925 WIOAIMBNLIIADZ-OAHLLOKOSA-N 296.418 3.853 30 20 CHED C=C(C)CN(CC)C(=O)/C=C\c1ccc2ccccc2n1 255360274 BERZNADWDWFQFF-QXMHVHEDSA-N 280.371 3.673 30 20 CHED C=CCCCNC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 448029167 GFGNBNXGXWLORU-RYUDHWBXSA-N 292.345 3.621 30 20 CHED Cc1ccccc1OCCCN(CC#N)C1CCCC1 523442198 PPOBUWXUNBPISD-UHFFFAOYSA-N 272.392 3.532 30 20 CHED C=CCCCSCC(=O)Nc1ccc(C)c(C)c1 609804985 HQBMNEKBNJBGJN-UHFFFAOYSA-N 263.406 3.941 30 20 CHED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CC1 254951259 ONAXUASSQMJBFG-UHFFFAOYSA-N 294.807 3.621 30 20 CHED C=CCCCC[C@H](C)NC[C@@H]1CCO[C@@H]1C(=C)C 449299082 KORDTIQZGNDVFM-HRCADAONSA-N 251.414 3.692 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2c(C#N)nnc3ccccc23)C1 252199544 WASQMTHNXGXIJM-ITGUQSILSA-N 280.375 3.738 30 20 CHED C=CCCC1(C(=O)N(CCC)C[C@H]2CCCCO2)CC1 355791894 IKYIQUUMVWGMDP-OAHLLOKOSA-N 279.424 3.541 30 20 CHED CC[C@H]1CCCCN1C(=O)c1cc2ccccc2n1CC#N 609159729 SPICFNWVUHPERA-HNNXBMFYSA-N 295.386 3.570 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cnc(C2CC2)[nH]1 352196926 IADFMDJXKLCISL-UHFFFAOYSA-N 295.386 3.506 30 20 CHED C=CCC1(C(=O)N(C)CCC(F)(F)F)CCCCC1 448788438 XLWQLEUUANQUSG-UHFFFAOYSA-N 277.330 3.924 30 20 CHED C=CCCCC(=O)N[C@H](c1ccccc1)C(F)(F)F 530650656 XINSCLPJDUYTRL-CYBMUJFWSA-N 271.282 3.763 30 20 CHED N#Cc1ccc(/C=C/c2nc(-c3cccs3)no2)cc1 609473984 PAMJKJSELXRBCV-BQYQJAHWSA-N 279.324 3.840 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1nc(C(C)C)c(C)s1 447549575 KQOVHPYNUZEQAW-GFCCVEGCSA-N 294.464 3.978 30 20 CHED C=CCC[C@@H](NC(=O)CC#N)c1ccc(C(F)(F)F)cc1 357669692 WYFADPZXIVUJTN-CYBMUJFWSA-N 296.292 3.743 30 20 CHED C=C[C@@H](Cc1nc(-c2ccoc2)no1)c1ccccc1 445464490 NQDREYJHYOHUHQ-LBPRGKRZSA-N 266.300 3.842 30 20 CHED CC(C)(C#N)CCN1CCC(c2ccccc2F)CC1 539568514 IQPZTHGYTCFHMI-UHFFFAOYSA-N 274.383 3.945 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CCCCC(C)(C)C#N)C1(C)C 444641112 OSQKGILGSAYAET-HUUCEWRRSA-N 280.456 3.842 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 351115249 MCBAJAPNTYPSHO-HIFRSBDPSA-N 288.439 3.747 30 20 CHED C=C(C)CCc1noc(-c2sc(CCC)nc2C)n1 351606545 DZBMYGJLGIIONN-UHFFFAOYSA-N 277.393 3.963 30 20 CHED CCN(Cc1cccc(OCCCC#N)c1)C1CCC1 353860441 DVVJREOSWHWXBX-UHFFFAOYSA-N 272.392 3.744 30 20 CHED C[C@H]1CCCN(c2c(C#N)cnc3c(F)cc(F)cc23)C1 352300711 FKJLWVNDXGYKBH-JTQLQIEISA-N 287.313 3.621 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC2(CC1)CC2 611177601 OBNFOAHBEJWIAH-UHFFFAOYSA-N 268.404 3.864 30 20 CHED CCn1c(C)cc(C(=O)N(CCC#N)CC(C)(C)C)c1C 264284131 PJAXHDWSALJHJG-UHFFFAOYSA-N 289.423 3.527 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1 449438516 PXHRFYRJAMSZSQ-HIFRSBDPSA-N 272.392 3.808 30 20 CHED CCc1nc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cs1 353429991 VLAAKQCRGVEKPF-XHDPSFHLSA-N 297.427 3.915 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2cc(C#N)ccc2C)C1 530604300 SZRFYKHLRGMPSG-HIFRSBDPSA-N 285.391 3.957 30 20 CHED CC(C)c1cnc(CN2CCCC(C)(C)[C@@H]2C#N)s1 446975188 PUFXRZGHWZBCCW-ZDUSSCGKSA-N 277.437 3.781 30 20 CHED C=CCC1(NC(=O)c2ccc3oc(C)nc3c2)CCCC1 619110386 DYZUGORXMFXGLY-UHFFFAOYSA-N 284.359 3.755 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1N[C@H]1CC[C@@H](C#N)C1 442847294 QCCGRTOIBIZVCU-AHEZYBDSSA-N 268.404 3.982 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCOc2ccccc2)C1 617789469 KEMUQPKPRKNTOQ-INIZCTEOSA-N 287.403 3.660 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC1CCC2(CC1)CC2 618807734 WGKIGCCUKCFDLP-KRWDZBQOSA-N 266.388 3.858 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)C1CCCC1 610907346 HSEQCPKFJYTADY-LBPRGKRZSA-N 256.349 3.632 30 20 CHED N#CCc1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 619864945 UUGXTJQYJGXTEQ-QEJZJMRPSA-N 268.360 3.517 30 20 CHED N#CCN[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 537287833 BLIFLIBRCVITGO-INIZCTEOSA-N 276.811 3.945 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1ccc(Cl)cc1)C(C)C 537097298 JMNLYJOTTSHTKN-CJNGLKHVSA-N 281.827 3.811 30 20 CHED CCC[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)C(C)C 619766118 OKZWVIYNCNRMRN-AWEZNQCLSA-N 292.810 3.900 30 20 CHED C[C@H](NC(=O)N[C@@H](C)C1CCCCC1)c1cccc(C#N)c1 610352414 YSOHKXMRFNYWIV-KBPBESRZSA-N 299.418 3.887 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1ccsc1)c1ccco1 276464090 OLAPALKDRIBHMY-UONOGXRCSA-N 277.389 3.672 30 20 CHED CC(C)c1ccc(CNC(=O)NCC(C)(C)CC#N)cc1 457953767 KSKXMYXNSLFQLR-UHFFFAOYSA-N 287.407 3.549 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1nc2c(s1)CCC2 459630975 HLJIJZLBAKWMNU-LLVKDONJSA-N 277.437 3.612 30 20 CHED CC1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CCOCC1 360646387 IIHMDNCOUQHEEB-GOSISDBHSA-N 298.430 3.732 30 20 CHED CC(C)=CCCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 276797682 JWEZZJAZFAFCOC-UHFFFAOYSA-N 297.402 3.589 30 20 CHED CC(C)(CCC#N)CN1CCC[C@H]1c1ccc(O)cc1 611265416 LBLFPQTXDZDMBM-INIZCTEOSA-N 272.392 3.859 30 20 CHED Cc1nc(-c2ccc(C)c(N[C@H]3CCC[C@H](C#N)C3)c2)n[nH]1 274242410 WMIZEFZEZCGENB-ZFWWWQNUSA-N 295.390 3.583 30 20 CHED Cc1ccnc(NC[C@H](c2cccnc2)C(C)C)c1C#N 273309890 ILHLCRJHVPAJCF-INIZCTEOSA-N 280.375 3.508 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(F)c(C(C)=O)c1 455422548 LSZHZRRCAXNHQZ-UHFFFAOYSA-N 292.354 3.752 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 274327753 IEXPQJAABDIMHX-WMZOPIPTSA-N 283.415 3.660 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 368824355 PGAPFHADUIDTCE-ZBFHGGJFSA-N 287.407 3.530 30 20 CHED CCN(CC)CCCC1CCN(c2ccc(C#N)cc2)CC1 542967046 KIZWVEUPYSUXTQ-UHFFFAOYSA-N 299.462 3.897 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)NCC(C)(C)CC#N 459262632 VLORBLPGRJQJPL-CQSZACIVSA-N 279.428 3.536 30 20 CHED CCN(CCC#N)C(=O)CCCc1ccc2ccccc2c1 271736273 OOENAKDOYGPYMX-UHFFFAOYSA-N 294.398 3.925 30 20 CHED C=C(C)CN(CC)[C@@H](C)c1noc(-c2ccccc2)n1 276576135 NYDIULBBABGFAM-ZDUSSCGKSA-N 271.364 3.696 30 20 CHED C=CCOc1c(Cl)cc(CNC2CC(C)C2)cc1OC 623438576 DRQIVJJMOFGUNG-UHFFFAOYSA-N 295.810 3.802 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](c1cccs1)C1CC1 540768313 UZCSPTJGHBAEPU-GXTWGEPZSA-N 278.421 3.853 30 20 CHED C=CCC1(C(=O)Nc2cccnc2C)CCCCC1 450062634 VBXALXDKBJBMHC-UHFFFAOYSA-N 258.365 3.855 30 20 CHED C=CCN(C(=O)C(CC)CC)c1nc2c(s1)CCCC2 623331849 WZGPFYXSTHHEDA-UHFFFAOYSA-N 292.448 3.977 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC2(CCCCC2)[C@H]1C(C)C 458186459 KTHODFKZJKPUNY-GDBMZVCRSA-N 276.424 3.744 30 20 CHED C=CCC1(CNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CCCC1 456516423 YVXDNUIXXCFULG-ILXRZTDVSA-N 261.409 3.675 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC)cc1C(F)(F)F 271389620 URRVSZAHJWSMLH-UHFFFAOYSA-N 299.292 3.846 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 464753172 HGQAFEBKYQQQSG-RISCZKNCSA-N 280.799 3.535 30 20 CHED CC[C@H](CC(F)(F)F)NC(=O)Nc1cc(C#N)ccc1C 544892728 QVECAJBPVMZKLA-LLVKDONJSA-N 299.296 3.719 30 20 CHED C[C@H]1CC(C(=O)N[C@@](C)(C#N)C(C)(C)C)C[C@H](C)C1 464164404 ZXVXBVOXJWBFPG-HSMVNMDESA-N 264.413 3.503 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)CC(C)(C)C1 544285453 IKYKOVXUNDRGSB-GFCCVEGCSA-N 285.391 3.767 30 20 CHED C=CCC1(C(=O)Nc2cc(F)c(OC)cc2OC)CCC1 276711335 DNKIXRWXEAKVKT-UHFFFAOYSA-N 293.338 3.528 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(NC)ccc2Cl)C1 622144470 IWZYTWGYKQAUHE-GFCCVEGCSA-N 292.810 3.810 30 20 CHED C=CCN=c1[nH]nc(S[C@H](C)c2cccc(C)c2)s1 463035887 IQWLGWMAIQCDPZ-LLVKDONJSA-N 291.445 3.720 30 20 CHED C[C@@H](NCCCC#N)[C@H](C)c1ccc(Cl)cc1 280348346 REBVNESPIGSLPZ-NWDGAFQWSA-N 250.773 3.725 30 20 CHED CCCCCCCC(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 375143718 RFELVBKRJXETRB-DLBZAZTESA-N 281.440 3.668 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C 463279361 PLIKMWRXMDCZJV-PBHICJAKSA-N 286.419 3.918 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1OC(C)C 466531806 ZPTGQIIEYTZSRR-CYBMUJFWSA-N 261.365 3.558 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCC#Cc1ccccc1 466247717 CPVFJAHETVSSGC-ROUUACIJSA-N 298.430 3.648 30 20 CHED CC(C)c1ccoc1C(=O)Nc1ccccc1O[C@@H](C)C#N 284283401 SEGRBPPWSQHIFY-LBPRGKRZSA-N 298.342 3.946 30 20 CHED C=C(C)CN(CC)C(=O)CN[C@@H]1CCCCC12CCCC2 463455245 WXFGEHBFBPGHEM-MRXNPFEDSA-N 292.467 3.504 30 20 CHED CC#CCCCC(=O)Nc1cc(Cl)cc(Cl)c1O 468327033 CRSCGAZYZLXYEI-UHFFFAOYSA-N 286.158 3.831 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1cccc2ccccc12 285131697 WINHTSRLWJHFCD-UGSOOPFHSA-N 280.371 3.957 30 20 CHED C#CCCCCC(=O)N1CC(C)(C)[C@@H]1c1cccs1 288246275 GJRIYTBVNDKSEE-HNNXBMFYSA-N 275.417 3.851 30 20 CHED CCOCCC1(CNc2nc(Cl)c(C#N)s2)CCC1 286387953 YSDWNANFMVRBJD-UHFFFAOYSA-N 299.827 3.677 30 20 CHED CSc1ccccc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 282235917 ITKNOARTNQZQOF-AVGNSLFASA-N 260.406 3.751 30 20 CHED COc1cccc(/C=N/C[C@@H]2CCCC(F)(F)C2)c1O 800722224 ZWJSDGXHIADLPO-VDCVXVNISA-N 283.318 3.645 30 20 CHED C=CCCCCNC(=O)Nc1cccc(Cl)c1F 473493047 SBNWNGPAPYSNHP-UHFFFAOYSA-N 270.735 3.957 30 20 CHED CCCCN(Cc1ccccc1O)[C@H](C)CCC#N 298626412 VKSUUGVSWNYPMU-CQSZACIVSA-N 260.381 3.687 30 20 CHED Cc1c(C2CCCCC2)noc1NC(=O)C(C)(C)C#N 297730757 KJQKQPLVQVMLQP-UHFFFAOYSA-N 275.352 3.519 30 20 CHED C=C[C@H](CO)NC(=O)Nc1ccc(C(C)C)cc1C(C)C 290101739 CYGTYXWGXKZYEN-CQSZACIVSA-N 290.407 3.602 30 20 CHED C=CCC[C@@H](N[C@@H]1CCn2ccnc21)c1ccccc1 297115518 YIDAXDXVCABHTK-HZPDHXFCSA-N 267.376 3.625 30 20 CHED Cc1cc(NC(=O)CCCC#N)ccc1C(F)(F)F 292138374 OLFHKYPJXDPQEX-UHFFFAOYSA-N 270.254 3.646 30 20 CHED Cc1cnc(SCc2ccccc2C(C)(C)C#N)nc1O 568271151 YERSZZUVQYMNQH-UHFFFAOYSA-N 299.399 3.584 30 20 CHED C=CCn1c(-c2ccc[nH]2)nnc1N(C)c1ccc(C)cc1 568331313 VEBIFDQCCRJFCV-UHFFFAOYSA-N 293.374 3.536 30 20 CHED CCCN(CC(F)F)[C@H](C)c1cccc(C#N)c1 298106551 LUYYOAJTIKLFMP-LLVKDONJSA-N 252.308 3.596 30 20 CHED C=CCCC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 479406406 JOTQLNQTZRJLTP-INIZCTEOSA-N 273.351 3.844 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1-c1csc(C)n1 806501497 HVWBMEKHBTUIDD-LBPRGKRZSA-N 299.399 3.652 30 20 CHED C=CCCCCNC(=O)N1CCCC[C@H](SCC)C1 474088340 JZYSTNYPUSUDAA-AWEZNQCLSA-N 284.469 3.660 30 20 CHED CC(C)Oc1cccc(NC(=O)C2(C#N)CCCCC2)c1 295698241 IFDQEQQCGAFSMI-UHFFFAOYSA-N 286.375 3.886 30 20 CHED C#CCCc1noc(-c2cc(C)c(Cl)cc2C)n1 809397233 ZJHJHLNKFOSQMT-UHFFFAOYSA-N 260.724 3.573 30 20 CHED C=CCN(C(=O)[C@H](C)C1CC1)c1nc2c(s1)CCCC2 477126725 LCFQZUWGBYMIGF-LLVKDONJSA-N 290.432 3.587 30 20 CHED C#C[C@@H](NC1CCC(c2ccc(O)cc2)CC1)C(C)C 809685208 GGLUASOWDYVDQD-JFUPDXTOSA-N 271.404 3.666 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(C(C)(C)C)cc1 292757095 KHMUGXIRRXKDTO-UHFFFAOYSA-N 285.391 3.918 30 20 CHED C=CCNC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 299445202 XSNQSZARFRSGBX-JTQLQIEISA-N 286.297 3.594 30 20 CHED C[C@H](CC#N)NC(=O)c1c(Cl)cc(Cl)cc1Cl 294857798 ZUQQQIFBSUUXTM-ZCFIWIBFSA-N 291.565 3.679 30 20 CHED C=CCC[C@@H](CCC)Nc1cccc2c1COC2=O 809790752 DUQIOOFTEZXKRR-GFCCVEGCSA-N 259.349 3.904 30 20 CHED C#C[C@@H](C)NC(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 812040213 ONUHYVOGRRCEAB-MLGOLLRUSA-N 298.386 3.759 30 20 CHED CC[C@H](C)c1ccccc1OC(=O)c1cccc(C#N)n1 810524190 KZTHFODRYRBEPO-LBPRGKRZSA-N 280.327 3.686 30 20 CHED N#CCCCC(=O)OCc1cc(Cl)cc2cccnc12 812617610 RZNYYCHUYCWESN-UHFFFAOYSA-N 288.734 3.625 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccccc1C#N 814815198 PWGBBQSAKHNNOQ-CYBMUJFWSA-N 263.344 3.633 30 20 CHED C=CCCCCCSCC(=O)NCc1ccc(F)cc1 485557083 CHEIAOFVXWBUGU-UHFFFAOYSA-N 295.423 3.922 30 20 CHED CC(C)OCCON=C1CC[C@@](C)(c2ccccc2)C1 812239462 UPPPPVOATPCUAT-QGZVFWFLSA-N 275.392 3.926 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 812183210 FZWLYAAKILDXBM-KSSFIOAISA-N 298.430 3.851 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCc1nn(C)c2ccccc12 657981480 IOGHIYZKGDSZBP-NVXWUHKLSA-N 297.446 3.840 30 20 CHED CC(=NOCC1CC1)c1ccc(-c2ccc(C(=O)O)o2)cc1 814245346 XQAMGCVHZSGTMS-UHFFFAOYSA-N 299.326 3.795 30 20 CHED O=C(/C=C\c1cnn(CC(F)F)c1)c1ccccc1Cl 814186961 VONMGQDLONCART-WAYWQWQTSA-N 296.704 3.698 30 20 CHED N#CCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 485859059 LUVLSJLCQIRORH-BRWVUGGUSA-N 254.377 3.558 30 20 CHED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 579666142 ZPXGJIYYVGOIJT-NSHDSACASA-N 282.309 3.530 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H](O)CC[C@@H](C)CC)n1 815705180 ARCOHXAMDWGYOB-STQMWFEESA-N 280.412 3.653 30 20 CHED Cc1cc(CSc2ccc(C#N)cn2)ccc1N(C)C 814740060 KQJLIZUYOJWIRN-UHFFFAOYSA-N 283.400 3.620 30 20 CHED C/C(=C/C(=O)N[C@]1(C#N)CC1(C)C)c1cccc(Cl)c1 813301089 XMRQKTWLYQRJPH-UBAGTECSSA-N 288.778 3.552 30 20 CHED CCCCCCCC(=O)N1CCN(C)Cc2ccccc21 728833897 NNCWDOOHCHYUIN-UHFFFAOYSA-N 288.435 3.826 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1ccc(O)cc1 726426596 AWVCMGLRZXBXGO-UHFFFAOYSA-N 292.285 3.830 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(C)c1Cl 652636229 RLMXYMKZNMJNAK-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)[C@@H](C)c1ccccc1 488751567 WCQACZZLTIWZIW-HUUCEWRRSA-N 282.387 3.596 30 20 CHED CC1(C)CCC(CC(=O)NCCc2cccc(C#N)c2)CC1 572785154 CTQZXTVWGWJIEM-UHFFFAOYSA-N 298.430 3.823 30 20 CHED CCc1ccccc1CCNC1(c2cccc(C#N)c2)CC1 579384495 VDYJXCYBTVZYBV-UHFFFAOYSA-N 290.410 3.942 30 20 CHED CC(=O)c1ccc(OCC#Cc2ccc(Cl)cc2)cc1 485278831 UUQDMPQIKFWUFI-UHFFFAOYSA-N 284.742 3.973 30 20 CHED C#CC(C)(C)NC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 490891300 COCQQXPKXKZBJP-HOTGVXAUSA-N 293.451 3.670 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)c1coc2cc(C)c(C)cc12 571282123 UJACXOBSEZFMOX-CVEARBPZSA-N 299.370 3.513 30 20 CHED CC(=NNc1ncnc2sccc12)c1cc(C)ccc1O 725818675 ARPKGQMZAMRCFV-UHFFFAOYSA-N 298.371 3.541 30 20 CHED C=CCCCCCN(C)Cc1ccc(C(=O)O)s1 825671652 YSDBSDKGZCHMIU-UHFFFAOYSA-N 267.394 3.625 30 20 CHED COc1cc(C#N)ccc1CNC(C)(C)c1cccs1 574579663 VQMLOOWSFZFESD-UHFFFAOYSA-N 286.400 3.653 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(SC)n2)C1 823370091 AHMBONRHCPSKFS-LBPRGKRZSA-N 291.420 3.624 30 20 CHED CC(C(=O)N(Cc1ccc(C#N)cc1)C(C)C)=C1CCC1 825486901 CMSQIYREXKXKFH-UHFFFAOYSA-N 282.387 3.796 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2nc(C)c(C)[nH]2)cc1C 901430117 HCJYYPRETAUPEX-SREVYHEPSA-N 268.360 3.848 30 20 CHED C=CC[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccncc1 734236790 GJIRORQWQGFFBC-QSPRXWTASA-N 284.403 3.641 30 20 CHED CC[C@H](N[C@@H](C)Cc1ccco1)c1cccc(C#N)c1 902734812 WMASEILCEFUTSF-GUYCJALGSA-N 268.360 3.823 30 20 CHED C=CC(C)(C)COC(=O)CCc1cncc2ccccc12 835722751 IUJHXDKIOGKTNN-UHFFFAOYSA-N 283.371 3.923 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(C(F)(F)F)cn1 905471175 KNWGMPCMDDALDT-LVJWHSPNSA-N 278.661 3.594 30 20 CHED C=CCNC(=S)N1CCCCC[C@@H]1c1ccc(CC)o1 739446538 TUBJOKASFHNFQP-CQSZACIVSA-N 292.448 3.820 30 20 CHED CCn1nnc(C)c1/C=C1\C(=O)c2ccccc2[C@H]1C(C)C 834438157 IHLPJDBINKDHIC-XBNGYDHASA-N 295.386 3.626 30 20 CHED Cc1cc(N(C)C[C@H](C)c2ccccc2)cc(C#N)n1 581829812 LOQVECDIAGAKED-ZDUSSCGKSA-N 265.360 3.502 30 20 CHED C#Cc1ccc(C(=O)N2CC[C@H](C)c3cccc(C)c32)cn1 839386829 XEFUVJKCRHMREE-ZDUSSCGKSA-N 290.366 3.525 30 20 CHED C=CC(C)(C)CN[C@@H]1CCc2nc(Cl)ccc21 834883540 LYGWWCVEIGEBTC-LLVKDONJSA-N 250.773 3.524 30 20 CHED CSc1ccc2c(c1)[C@@H](NCC(C)(C)C#N)CCC2 903101169 BTRKDFZAOMJUSJ-HNNXBMFYSA-N 274.433 3.925 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(O)c(Cl)c2)c1 588480366 YEJRGKNFCUWGDO-ALCCZGGFSA-N 288.730 3.950 30 20 CHED C#CCCCCC(=O)NC1(C(C)(C)c2ccccc2)CC1 837095855 GHYCGJMRQZIYQF-UHFFFAOYSA-N 283.415 3.807 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1nc(Br)cs1 834790648 UDNQYXQRQAVYPK-IUCAKERBSA-N 289.242 3.911 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1nc2ccc(Cl)cc2[nH]1 736288429 RDQRLEGIBPZWTI-VIFPVBQESA-N 297.749 3.656 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)CCCC(F)(F)F 835317349 HHZZJJZFAZKHRV-VIFPVBQESA-N 252.276 3.863 30 20 CHED CC[C@H](NC[C@@]1(C)CCO[C@@H]1C1CC1)c1cccc(C#N)c1 902957165 QXHNMKNJTGCMOD-IPMKNSEASA-N 298.430 3.804 30 20 CHED CC[C@H](NCCC[C@@H]1CCCCO1)c1cccc(C#N)c1 902952068 UFSUZFIXLWKISW-ROUUACIJSA-N 286.419 3.948 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1cnccc1C 678459350 ZDFBCZZLFOFETD-HNNXBMFYSA-N 289.423 3.839 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc3ccccc3o2)C1 839041063 CNRLOOMNNBSDOZ-AAEUAGOBSA-N 269.300 3.672 30 20 CHED C=CC[C@H](NC(=O)/C=C\c1ccccc1)c1ccncc1 734234614 RTYUYYIFSREBOI-IBSYWUHOSA-N 278.355 3.528 30 20 CHED C=C(C)COc1cc(C=NNC(CC)CC)ccc1OC 734364809 GUIKYGKAXWWQLB-UHFFFAOYSA-N 290.407 3.762 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1coc2ccccc12 588943521 MXBPEZAKDPYVBO-UHFFFAOYSA-N 298.386 3.954 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 589345474 MAWFFPDPNOWEAG-GFCCVEGCSA-N 289.354 3.597 30 20 CHED Cc1nc2c(s1)C(=NN[C@@H](C)c1ccccc1)CCC2 730946763 MFBOWIPIWAJCCI-NSHDSACASA-N 285.416 3.843 30 20 CHED CSc1ccc(C=NNc2ccc(C#N)cc2)cc1 915963324 YVAXYPLAZNTVCX-UHFFFAOYSA-N 267.357 3.726 30 20 CHED C=CCN(C(=O)N[C@@H](C)CCC=C(C)C)C(C)C 838656035 KBPFMQAZKOLHFN-AWEZNQCLSA-N 252.402 3.727 30 20 CHED C=C(C)CN(C)C(=O)c1ccnc(Oc2ccccc2)c1 679204411 CYSPUABZFLXALQ-UHFFFAOYSA-N 282.343 3.522 30 20 CHED Cc1ccccc1C(C)(C)C(=O)OCC1(CC#N)CC1 744277597 VRTAVVJZXWATRT-UHFFFAOYSA-N 271.360 3.510 30 20 CHED CC(=NNC(=S)Nc1ccccc1)c1cc(C)oc1C 915922888 LLEGSUBWRYPWNG-UHFFFAOYSA-N 287.388 3.607 30 20 CHED C=CCC1(C(=O)OCc2ncc(C)o2)CCCCC1 838151600 MOVXGTBQSBJVOR-UHFFFAOYSA-N 263.337 3.553 30 20 CHED C=C(Br)COC(=O)C1CCCCCCC1 745123969 WHSAEVFOYFBIOL-UHFFFAOYSA-N 275.186 3.799 30 20 CHED CCc1ccc(CON=Cc2c(C)nc3sccn23)cc1 742358970 CSMQAATWUPIIRK-UHFFFAOYSA-N 299.399 3.817 30 20 CHED N#CCC1(COC(=O)c2cc(-c3ccccc3)ns2)CC1 747244927 SCTHYZSFFIFEDQ-UHFFFAOYSA-N 298.367 3.661 30 20 CHED CCN(Cc1nc2cc(C(F)(F)F)ccc2o1)[C@@H](C)C#N 595817854 PPQDLLQWJDQDHH-VIFPVBQESA-N 297.280 3.581 30 20 CHED CCOc1cccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 748686391 XCJFFIWNBSWZHN-ZDUSSCGKSA-N 295.338 3.875 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C\c1ccccc1F 746377362 XRSDPCAPTNBBHO-HJWRWDBZSA-N 280.302 3.658 30 20 CHED N#C[C@H](c1ccccc1)N1CCC[C@@H](c2ccncc2)C1 595486651 BOCFVYCHIMUCPZ-QZTJIDSGSA-N 277.371 3.526 30 20 CHED CCO[C@@H]1CCCC[C@H]1/N=C/c1cc2ccccc2nc1O 840709375 JFYYTHDNMOFRKQ-JQXMUZPYSA-N 298.386 3.707 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1nc(Cl)c(C#N)s1 841224031 GYYZEEJBYLDFEZ-UHFFFAOYSA-N 285.800 3.679 30 20 CHED CO[C@H](C=NNc1cccc(C(F)(F)F)n1)CC(C)C 841626693 VIZYHGCSSWUZBM-JTQLQIEISA-N 289.301 3.559 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1cc(C)oc1C 915915430 IGFPFEKSYIPFEQ-UHFFFAOYSA-N 268.320 3.609 30 20 CHED N#Cc1ccc(S[C@H]2CCCc3ccccc3C2=O)nc1 597141917 PNTYTEXWNBDQLL-HNNXBMFYSA-N 294.379 3.633 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 590757009 XYCVAVYLKGKPIM-JSGCOSHPSA-N 290.794 3.654 30 20 CHED C=CCN(Cn1cnc2cc(C)c(C)cc21)C(C)C 917481568 PAEFSBAAZVWOIZ-UHFFFAOYSA-N 257.381 3.507 30 20 CHED CCN(C(=O)c1ccc(C)c(Cl)c1Cl)[C@@H](C)C#N 598365847 ZWIWGDGPLUZCNR-VIFPVBQESA-N 285.174 3.676 30 20 CHED C[C@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@H](C)C1(F)F 599514859 LXJZZYYQZDYKSP-QWRGUYRKSA-N 298.764 3.935 30 20 CHED C[C@@H]1CCc2[nH]c3ccc(C(=O)OCCCC#N)cc3c2C1 916599149 ICDINCVEZFHWFY-GFCCVEGCSA-N 296.370 3.753 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cc(C#N)cs1 748441495 ZNJKAFZAYWGZRU-IHWYPQMZSA-N 259.355 3.886 30 20 CHED CC[C@@H]1C[C@H](C(=O)OCCC2(C#N)CCCCC2)CCO1 840422089 GZFLUXQQMJIGSZ-HUUCEWRRSA-N 293.407 3.599 30 20 CHED CCCc1cc(C(=O)N(C)c2ccc(C#N)nc2)sc1C 593272294 IWCCMRAKAAQZNM-UHFFFAOYSA-N 299.399 3.552 30 20 CHED N#CCC1(COC(=O)c2ccc(Oc3ccccc3)o2)CC1 749041327 PWNOKTIDNQBENP-UHFFFAOYSA-N 297.310 3.923 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)[C@]1(C#N)CC13CCCC3)CC2 590632135 JRFNUXONFPWUEL-QFBILLFUSA-N 294.398 3.573 30 20 CHED C=C(C)CONC(=O)c1ccccc1SC(F)(F)F 846538410 QNYGCUJNDPQRRP-UHFFFAOYSA-N 291.294 3.536 30 20 CHED CN(C(=O)NCc1cccc(C#N)c1)C1CCCCCCC1 749010330 KOGDBHUYNWKXAT-UHFFFAOYSA-N 299.418 3.813 30 20 CHED CCc1nc(S[C@@H]2CC[C@H](C#N)C2)c2ccccc2n1 594464959 BXJCNIVIUSKBHO-NWDGAFQWSA-N 283.400 3.977 30 20 CHED C=CCn1c(=S)n(CN(C)CCC)c2ccccc21 746074687 CYGWQFWDFNPFSE-UHFFFAOYSA-N 275.421 3.658 30 20 CHED COc1ccc(CNc2ccccc2O[C@@H](C)C#N)c(C)c1 921981953 XHUXQOYEDCWHAP-AWEZNQCLSA-N 296.370 3.907 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)[C@@H]1C[C@H]1C 844624493 YJWMCUHBJSFVIP-BXKDBHETSA-N 260.337 3.527 30 20 CHED C=C(C)CCOC(=O)/C=C(/C)c1ccccc1OC 744304584 ZBYFQYACUDJFFS-QBFSEMIESA-N 260.333 3.608 30 20 CHED CCC/C(C)=C/C(=O)Oc1c(Cl)cc(C#N)cc1OC 920219630 YDIFKRHNLBMHPC-UXBLZVDNSA-N 293.750 3.872 30 20 CHED C#CC[C@@H](NCc1cc(C)ccc1O)c1ccccc1 756998712 ZXNUKECIRIDPOT-QGZVFWFLSA-N 265.356 3.555 30 20 CHED CC[C@H](C#N)OC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 753428977 FCNSZMDBTGPRDQ-FRRDWIJNSA-N 251.370 3.684 30 20 CHED CC(C)SCCSCCc1ccc(C#N)cc1 853777825 BUEVJGYNYLVARN-UHFFFAOYSA-N 265.447 3.976 30 20 CHED C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1C(C)C 852098188 HDXRSVWMUFJVFQ-KSSFIOAISA-N 286.419 3.529 30 20 CHED Cc1oc2ccccc2c1C=NNc1ccccc1C(=O)O 758098125 AAJOZUMRJZQNNK-UHFFFAOYSA-N 294.310 3.885 30 20 CHED C#CC[C@@H](NC(=O)N(C1CC1)[C@@H](C)C(C)C)c1ccccc1 757773972 UABNAJBWBKLPBV-MAUKXSAKSA-N 298.430 3.970 30 20 CHED C[C@H](NN=Cc1cc2ccncc2s1)C(C)(C)C 853349698 FQABKLFSPBZOQL-JTQLQIEISA-N 261.394 3.654 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 753428676 PEBQOJMCNGEBSO-ZDUSSCGKSA-N 284.359 3.924 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1ccc(F)cc1F 853782698 KBQJYCXBVREMES-MRVPVSSYSA-N 291.750 3.778 30 20 CHED Cc1cccc(CON=C(c2ccccc2)C(F)(F)F)n1 751962603 REZXOFZNERFUFA-UHFFFAOYSA-N 294.276 3.873 30 20 CHED Cc1oncc1CSCCCCC(C)(C)C#N 853788747 ZVBILLHBKHGQEL-UHFFFAOYSA-N 252.383 3.936 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C=NOCC(F)F 758903394 DWBCJRLHUCDOIP-UHFFFAOYSA-N 272.682 3.745 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1Nc1cccc2ccsc12 751962790 HLEQXYNNVAKKST-UHFFFAOYSA-N 296.311 3.820 30 20 CHED CCCCc1ccc(CC(=O)Nc2ncc(C#N)s2)cc1 759132487 VOWITZVGINOUEW-UHFFFAOYSA-N 299.399 3.539 30 20 CHED CCCCC[C@H](C)CC(=O)N1CCC[C@H](CC#N)C1 855254225 GQDBJTJYCFORAC-LSDHHAIUSA-N 264.413 3.745 30 20 CHED CCCCC=NNc1nc(-c2ccc(Cl)cc2)no1 755720804 GOXXTHADLMJYLF-UHFFFAOYSA-N 278.743 3.978 30 20 CHED CC(C)=C(C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 752375397 ZINZTZMTVRFDGK-UHFFFAOYSA-N 297.383 3.977 30 20 CHED CC(C)c1ccc(C=NNc2ncccc2[N+](=O)[O-])cc1 759207042 SJKVNBBIQQGDOS-UHFFFAOYSA-N 284.319 3.559 30 20 CHED C=CC[C@H](NC(=O)c1cc(Cl)cs1)c1ccncc1 758366130 UCDVWIBWUMAFFU-LBPRGKRZSA-N 292.791 3.844 30 20 CHED CCO[C@H]1CC(=NNc2ccc(F)cc2C)C12CCC2 750945087 DRIXZDIZQWMOIB-HNNXBMFYSA-N 276.355 3.881 30 20 CHED Cc1ccc(O[C@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851214492 ZYEDJQDSGGTLRK-UONOGXRCSA-N 289.375 3.634 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cnc3ccccc3c2C)C1 855438346 FXQROROEHYFYLX-OAHLLOKOSA-N 294.398 3.972 30 20 CHED Cc1ccc(NN=Cc2cn(C)nc2C(C)(C)C)cc1F 853438459 CBJKSCIPRIADEB-UHFFFAOYSA-N 288.370 3.611 30 20 CHED C=CCC[C@@H](CC)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 866549156 FNHYLTCJHBOGHX-RBSFLKMASA-N 296.455 3.624 30 20 CHED CCCCCCCNC(=O)Cc1ccsc1C 862356596 GEWKLJCNXCENPT-UHFFFAOYSA-N 253.411 3.686 30 20 CHED C#CC[C@@H](N[C@@H]1CCCc2ncccc21)c1ccccc1 866312596 OUAWDVFBTSYQJC-IEBWSBKVSA-N 276.383 3.813 30 20 CHED CC#CCCSCC1CCN(C(=O)OC(C)(C)C)CC1 764961918 WIASCXQOKUBDCN-UHFFFAOYSA-N 297.464 3.780 30 20 CHED C[C@@H]1CCCCC1=NNc1ccc(F)c([N+](=O)[O-])c1 769828479 IIUZWPGRTHMNFT-SECBINFHSA-N 265.288 3.712 30 20 CHED C=C[C@@H](CC)CC(=O)N(CCC(F)(F)F)CC1CC1 934350737 JXIOVQRFLPEIQW-NSHDSACASA-N 277.330 3.780 30 20 CHED C=CCN(Cc1ccc2c(c1)COC2)Cc1cccs1 768196286 AJRIEJPCJKVUGH-UHFFFAOYSA-N 285.412 3.967 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C 862356935 IXKUPEPAJCAGKT-KBPBESRZSA-N 281.440 3.714 30 20 CHED C=CCCC1=NNC(=Nc2cc(C)ccc2C)SC1 762433014 YIULUKICOQWIGR-UHFFFAOYSA-N 273.405 3.950 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1ccco1 762305038 LPPDOSHYUSYCFE-FPLPWBNLSA-N 264.227 3.777 30 20 CHED C[C@H]1CC(=NNc2cnn(C)c2)C[C@@H](c2ccccc2)C1 761868082 VXDNJVVOUOQFOD-HIFRSBDPSA-N 282.391 3.792 30 20 CHED COCCON=C(CC(F)(F)F)c1ccc(Cl)cc1 763357456 HPFBLCGHUWCTTH-UHFFFAOYSA-N 295.688 3.660 30 20 CHED C#Cc1cccc(N(C(=O)C2=CCCC2)C(C)C)c1 760504252 AJZTVGOJAQTRIZ-UHFFFAOYSA-N 253.345 3.520 30 20 CHED Cc1cc(NN=C2C[C@@H]3CCCc4cccc2c43)nc(C)n1 763355834 HWSGMSLYZJZIFN-AWEZNQCLSA-N 292.386 3.733 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1cccc(Cl)c1F 1116913193 RTXUWQCMNJMWPZ-LLVKDONJSA-N 284.762 3.633 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(C(=O)CC)cc2)c1 760321771 JVHGCRBRZRKZJK-UHFFFAOYSA-N 277.323 3.513 30 20 CHED CCOc1ccc(/C=C\C(=O)c2occc2C)cc1OC 769783213 AHLDSZBBFQIEDG-ALCCZGGFSA-N 286.327 3.891 30 20 CHED C#CCCCCNC(=O)Nc1c(F)cc(Cl)cc1F 775382322 ZKXMCBLXOKQQQK-UHFFFAOYSA-N 286.709 3.543 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)CC#N)c1ccc(F)cc1 1117812271 GQWGIAWCVPOHTA-AWEZNQCLSA-N 291.370 3.516 30 20 CHED N#CCc1ccnc(NC(=O)NCCC2=CCCCCC2)c1 871728854 ZHXUHXVXUKPHTD-UHFFFAOYSA-N 298.390 3.550 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 779968426 SIUNLBVUQWOVMH-AEFFLSMTSA-N 299.414 3.559 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(-c2c(F)cccc2F)o1 775183153 JHHAJKXZZKQUPR-NSHDSACASA-N 275.298 3.678 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCc1cccc(C#N)c1F 774953021 YMDKQOGUSZMDDP-LBPRGKRZSA-N 289.350 3.957 30 20 CHED CC(=O)[C@](C#N)(CCSC1CCC1)c1ccccc1 871674376 WQEMPNLKHDKVQT-MRXNPFEDSA-N 273.401 3.713 30 20 CHED N#CC1(C(=O)OCCc2cc(Cl)cc(Cl)c2)CCC1 773423375 CJXBNPDYIJVERQ-UHFFFAOYSA-N 298.169 3.773 30 20 CHED CC(C)[C@@H](C(=O)OCC1(C#N)CC1)c1cccc(Cl)c1 775865193 QSCFUODRSHPOPU-CQSZACIVSA-N 291.778 3.927 30 20 CHED Cc1cc(C)cc(C=NNc2ccc3[nH]ncc3c2)c1 779812823 YVGAUPVDKGUEIM-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C=CCC1(C(=O)N2CC(c3ccc(F)cc3)C2)CCCC1 1117806903 DNCLXYAGKAHBNP-UHFFFAOYSA-N 287.378 3.888 30 20 CHED C#CCCCCCC(=O)N1CCc2cc(F)ccc2[C@H]1C 779957662 CZQOSGTZLXVGDD-CQSZACIVSA-N 287.378 3.855 30 20 CHED C#C[C@@H](OC(=O)c1cc2c(Cl)cncc2s1)C1CC1 1122738406 UASBMKYIZAYVMZ-LLVKDONJSA-N 291.759 3.518 30 20 CHED Cc1ccc(F)cc1NC(=O)c1cc(C#N)ccc1C 1124435866 WGIRAAGZYABNBN-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H](CC(C)C)C1 779933583 MVMCXJHXBWLKSX-INIZCTEOSA-N 263.425 3.855 30 20 CHED N#Cc1sccc1C(=O)O[C@H]1CCc2ccc(F)cc21 1126639283 QMJOSHSPDSAANQ-ZDUSSCGKSA-N 287.315 3.603 30 20 CHED C=CCCCCCOC(=O)/C=C\c1cccc(O)c1 784060301 CMSVMXZDEUYEJS-KHPPLWFESA-N 260.333 3.695 30 20 CHED C#CCN(CC)C(=O)Nc1cccnc1-c1csc(C)c1 782896307 DKTAYANITAQNDM-UHFFFAOYSA-N 299.399 3.606 30 20 CHED C#Cc1cccc(NC(=O)c2cc(O)c3ccsc3c2)c1 788270109 FAVOFPKTWBGVNF-UHFFFAOYSA-N 293.347 3.841 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CCC2(C)C)c1 789000396 JFVQDSYOXMZXGP-UHFFFAOYSA-N 279.384 3.597 30 20 CHED CC(CCc1ccc(F)cc1)=NN[C@@H]1CCOC(C)(C)C1 780249733 IJMAFPOJSZDALD-MRXNPFEDSA-N 292.398 3.681 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(Cl)cc1C(F)(F)F 781208718 JTIZKMDDDIIXIP-MRVPVSSYSA-N 291.656 3.818 30 20 CHED CCCCN(CCCC)C(=O)[C@]1(C#N)CC12CCCC2 1124923861 LHCJQBANEHABHB-QGZVFWFLSA-N 276.424 3.889 30 20 CHED Cc1cc(C(=O)OCc2ccc(Cl)cc2C#N)oc1C 780039206 AUEIGLMLZKBPPV-UHFFFAOYSA-N 289.718 3.779 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2ccncc2)cc1 83202095 XZOWPIXHDOARCI-VMPITWQZSA-N 267.328 3.767 30 20 CHED C=CCCCCCOC(=O)c1occc1Br 784049606 VWGYBEQBWSEUPR-UHFFFAOYSA-N 287.153 3.945 30 20 CHED CC(C)(CCC#N)CNC(=O)NC1(C2CCCCC2)CC1 894859164 PCRQCNDOEYYBBW-UHFFFAOYSA-N 291.439 3.728 30 20 CHED CC1(C)CC(=NNc2ncncc2Cl)c2ccccc21 780283416 VXPFFVYNJOGAFR-UHFFFAOYSA-N 286.766 3.628 30 20 CHED C=CCOCCCC(=O)OCc1cc(Cl)ccc1F 787719626 FGDCVQVLHUCSGA-UHFFFAOYSA-N 286.730 3.505 30 20 CHED N#Cc1c(F)cc(C(=O)Nc2ccc(C3CC3)cc2)cc1F 1137902339 ZIELMXZDRFCZEB-UHFFFAOYSA-N 298.292 3.966 30 20 CHED C[C@H](CC=NNc1cccc(F)n1)c1ccccc1 795006684 JPMCORWOZDPDKC-GFCCVEGCSA-N 257.312 3.812 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCC=C(Cl)Cl)cc1 898307933 XVOOYEOULBUXJW-UHFFFAOYSA-N 297.185 3.537 30 20 CHED CCc1onc(C)c1/C=C1/CCc2c(F)cccc2C1=O 899389274 FMVOSFNONWRRRL-LUAWRHEFSA-N 285.318 3.897 30 20 CHED CC[C@@H](/N=C\c1ccccc1O)c1ccc(OC)c(OC)c1 794678210 ZMBTTZKPKNYFRT-VUFYJBQKSA-N 299.370 3.980 30 20 CHED N#Cc1c(F)cccc1NCc1cccc2[nH]ccc12 80333990 GUGZYAKCUSDYJU-UHFFFAOYSA-N 265.291 3.791 30 20 CHED CN(C)c1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1Cl 799724912 TUBWEIWSVGWKGL-MNOVXSKESA-N 263.772 3.510 30 20 CHED CC(C)c1cccc(CN2CCC[C@@H](CC#N)C2)c1 595617278 RCJTZDKUXDXTNR-HNNXBMFYSA-N 256.393 3.936 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCCC2)c1ccncc1 792860776 YDIXQTUIVBGFIH-SOFGYWHQSA-N 263.340 3.857 30 20 CHED CC/C=C(/C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572348 YGYXRAANZFJINJ-BRNRAETOSA-N 276.405 3.973 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1cccc(Cl)c1F 796155193 ZTXNTQMSJOXHMR-QMMMGPOBSA-N 293.681 3.862 30 20 CHED CC(C)(C)[C@@H](Cc1ccccc1)OC(=O)c1ccc(C#N)o1 796838139 XQNGGHNZVXZCAM-MRXNPFEDSA-N 297.354 3.965 30 20 CHED C=CCNN=Cc1cc(Cl)ccc1OC1CCCC1 795000015 WYZQZCMZJSIEDP-UHFFFAOYSA-N 278.783 3.771 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)c1ccccc1OC 799306720 SRAUPZUYJQZFJE-UHFFFAOYSA-N 294.354 3.542 30 20 CHED C=CCNN=C(C)c1ccc(Cl)c(C(F)(F)F)c1 794999092 XJORMMCJYABCDU-UHFFFAOYSA-N 276.689 3.858 30 20 CHED N#Cc1cc(NCCC2CC2)ccc1OC(F)(F)F 799593559 QNNMFIMNXFDQBN-UHFFFAOYSA-N 270.254 3.669 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2ccccc2Cl)[C@@H]1C 794453618 UBPQWJSLGZLXPX-MNOVXSKESA-N 294.782 3.717 30 20 CHED CC(/C=C\C(=O)c1ccnc(O)c1)=C\c1ccccc1 791433135 QBUJHJBULZQGDZ-DYYHYMPESA-N 265.312 3.630 30 20 CHED O=C(/C=C\c1ccnn1-c1ccc(F)cc1)c1ccsc1 794935909 VFTYPISQHLTYDN-WAYWQWQTSA-N 298.342 3.969 30 20 CHED CC(C)(C)CCCON=CC(=O)Nc1ccc(F)cc1 799175362 WIIASUDBWWDEBY-UHFFFAOYSA-N 280.343 3.593 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](C)c1nc2ccccc2o1 797956651 KVHFXFWEWSZUSF-SNVBAGLBSA-N 296.282 3.519 30 20 CHED CC[C@H](C)CCC(=O)[C@@H](C#N)c1nc2ccccc2n1C 796737900 GBSBXZCRRSAQJH-QWHCGFSZSA-N 283.375 3.576 30 20 CHED C=CC[C@H](OC(=O)c1ccc(C#N)o1)c1ccccc1 797117642 IZSQFIKICUDGQK-AWEZNQCLSA-N 267.284 3.625 30 20 CHED Cn1ccnc1NN=CC1CCC(C(C)(C)C)CC1 790300514 ZHZFPMSSYQDZLR-UHFFFAOYSA-N 262.401 3.670 30 20 CHED COCCCON=C1CC[C@](C)(c2ccccc2)C1 795051365 QJKABDBJAUSAHQ-INIZCTEOSA-N 261.365 3.537 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC=CO2)cc1C(F)(F)F 88191161 KHKYWOQFIAPZCB-LBPRGKRZSA-N 282.265 3.682 30 20 CHED CCc1nnc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(C#N)c1CC 1306965591 LZLLAXUYKFIYAQ-HZSPNIEDSA-N 298.434 3.854 30 20 CHED CC(C)CC1(CNC(=O)NCC2(C#N)CCC2)CCCC1 1223555992 KIMJLNFQMOHPCE-UHFFFAOYSA-N 291.439 3.586 30 20 CHED N#CCOc1cccc(NCCc2ccc(F)cc2F)c1 1320841963 GJCHZHUDUSTSCB-UHFFFAOYSA-N 288.297 3.522 30 20 CHED COc1cccc2cc(CN[C@H]3CCC[C@@H](C#N)C3)oc12 1321016476 UKSFUTNFSHKCQS-OCCSQVGLSA-N 284.359 3.613 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1csc(C#N)c1 1325202658 BDJMZFPICXWWIK-LLVKDONJSA-N 276.405 3.661 30 20 CHED N#CC1(CCCCN2CCC([C@@H]3CCCO3)CC2)CCC1 1335907663 UOPCAYFJYRJAGO-KRWDZBQOSA-N 290.451 3.742 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1cc(C)cc(C)c1 1347770594 KCMQVOLTWNCIDQ-UHFFFAOYSA-N 284.384 3.903 30 20 CHED C=CC(C)(C)C(=O)N1CCC(Cc2ccc(C)cc2)CC1 1344123067 DYIXSWIWMPHKMQ-UHFFFAOYSA-N 285.431 3.988 30 20 CHED CCCc1ccc(C(=O)Nc2cc(C)c(C#N)cn2)s1 1437189741 IHQKPPPRDLMPAV-UHFFFAOYSA-N 285.372 3.528 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1ccc(C#N)cc1F 1350053984 PNARKMJKVCFTKH-LBPRGKRZSA-N 276.355 3.642 30 20 CHED C[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1435244183 YAMNDFIXLVAFOY-LBPRGKRZSA-N 298.773 3.632 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1ccccc1CC#N 1355940827 WKDXUTTZYDOPJF-CRAIPNDOSA-N 298.430 3.722 30 20 CHED C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 1353768083 LLDYAWDVPOKTGM-GCDKYVQMSA-N 296.414 3.625 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)ccc1F)[C@H](C)c1ccccc1 1515192462 HCUQFZCXJMHHSG-QWHCGFSZSA-N 296.345 3.619 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@H]2CCC[C@@H]2c2ccccc2)C1 1516820040 LWDLIOWOTMQNNS-XBVQOTNRSA-N 283.371 3.806 30 20 CHED CCCC[C@@H](C(=O)Nc1cc(C#N)ccc1OC)C(C)C 1519247710 IKTVMSOBCHANSC-CQSZACIVSA-N 288.391 3.968 30 20 CHED Cc1cc(C)c2c(c1)CN(Cc1cccc(C#N)c1F)CC2 1459962441 KNLHVVIOAAUJEM-UHFFFAOYSA-N 294.373 3.873 30 20 CHED O=C(/C=C\c1ccoc1C(=O)O)c1cc2ccccc2o1 1608287584 CPKGGLXCWXCHMK-WAYWQWQTSA-N 282.251 3.620 30 20 CHED Cc1cc(C#N)cc(NC(=O)CNc2ccccc2Cl)c1 1639050666 YQELKSPSDRXMRX-UHFFFAOYSA-N 299.761 3.571 30 20 CHED CCN(CC)CCC[C@@H](C)Nc1cc(C#N)cc(Cl)n1 122639821 AERBWFYSNRXAHN-GFCCVEGCSA-N 294.830 3.529 30 20 CHED CCC[C@H]1[C@H](C)CCCN1Cc1ccc(C#N)c(OC)c1 1658205496 LDQNOVOVFJVWBX-PBHICJAKSA-N 286.419 3.967 30 20 CHED CC#CCSc1cc2ccccc2cc1C(=O)O 1588932386 TWACQAWRZDTODJ-UHFFFAOYSA-N 256.326 3.653 30 20 CHED Cc1ccc(SCC(=O)Nc2cc(C)cc(C#N)c2)cc1 1584925354 BGLGRYQIGJQDQA-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CC1CC(C#N)(C(=O)N2CCC[C@H](C(C)(C)C)CC2)C1 124178360 RSGDZNKOBGRVGZ-UUCFBXCCSA-N 276.424 3.601 30 20 CHED CC(F)(F)CCC=NNc1ccc(Cl)c(C(=O)O)c1 1776034802 ZBHUQXXOIATCLS-UHFFFAOYSA-N 290.697 3.871 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(Cl)s2)cc1F 1776073910 VTAQILSRRRPMGW-UHFFFAOYSA-N 298.726 3.685 30 20 CHED CC(C)(C#N)c1ccc(/C=C\c2ncc(C(=O)O)s2)cc1 1776230806 HYJLXNHPNTVUPH-YVMONPNESA-N 298.367 3.813 30 20 CHED O=C(O)c1ccccc1NN=Cc1cccc2c1CCCC2 1776032041 KBPBPSPMNLJVQR-UHFFFAOYSA-N 294.354 3.710 30 20 CHED CC[C@H](NN=C(C)c1ccc(-c2ccccc2)cc1)C(=O)O 1776065580 KBGQXQNKYNHJGR-KRWDZBQOSA-N 296.370 3.530 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccnc3ccccc23)cc1 5105884 WEEVFEOJPTVWDC-UHFFFAOYSA-N 292.298 3.589 30 20 CHED Cc1cc(/C=C2\COc3ccccc3C2=O)cc(C)c1O 13140923 ALIWPHSJPQMBSC-NTEUORMPSA-N 280.323 3.668 30 20 CHED C=CCN(C)C(=O)c1cccc(OCc2cccs2)c1 161680522 XBSPURLHCGIKGQ-UHFFFAOYSA-N 287.384 3.585 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1CCC(C)(C)C1 162824628 PGCGIHRLSBXNMP-ZDUSSCGKSA-N 273.376 3.560 30 20 CHED CC(C)[C@H]1CCCN1Cc1ccc(C#N)cc1Cl 162916451 SOHPENLLYRVLNQ-OAHLLOKOSA-N 262.784 3.832 30 20 CHED C=CCCSCCC(=O)NCc1ccccc1Cl 151963377 JLNNRWRIQCEEFF-UHFFFAOYSA-N 283.824 3.656 30 20 CHED C=CCN(Cc1ccc(C)cn1)Cc1cccs1 155650173 YIIBGPNLSGWYJH-UHFFFAOYSA-N 258.390 3.640 30 20 CHED CC(C)(CCC#N)CNC1CCN(c2cccs2)CC1 154170371 UYOVWAPRAPFMFS-UHFFFAOYSA-N 291.464 3.636 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 157371383 SUXGSYKPLGGFAV-LBPRGKRZSA-N 289.404 3.731 30 20 CHED N#CCCCOc1cccc(-c2nc3ccccc3[nH]2)c1 154266673 HDJHRZLFTUZXCW-UHFFFAOYSA-N 277.327 3.912 30 20 CHED COc1cc(CNCC2(C)CCCCC2)ccc1C#N 234904637 SXBJEEGQIBNLKG-UHFFFAOYSA-N 272.392 3.627 30 20 CHED COc1cc(CNc2ccccc2Cl)ccc1C#N 234909170 COYJPQOQKRKKPY-UHFFFAOYSA-N 272.735 3.832 30 20 CHED N#Cc1sc(N2CC[C@H]2c2cccc(F)c2)nc1Cl 804522173 WWCYCZADZQYENL-JTQLQIEISA-N 293.754 3.759 30 20 CHED N#CCc1ccc(NC(=O)c2ccc(Cl)s2)cc1 8125890 WFCRSJFTYWDTBM-UHFFFAOYSA-N 276.748 3.720 30 20 CHED Cc1cc([C@H]2CCCN2c2ccc(C#N)cc2Cl)no1 891703566 ZTWWXNLBMCQZFC-OAHLLOKOSA-N 287.750 3.850 30 20 CHED C[C@H](CNc1cccc(F)c1C#N)c1ccccc1 35134961 CBSKVJCSYHMCQB-GFCCVEGCSA-N 254.308 3.913 30 20 CHED CCC1CCC(CNCc2cccc(C#N)c2)CC1 37905083 OQINKMFUYUCEKE-UHFFFAOYSA-N 256.393 3.864 30 20 CHED C[C@H](Cc1ccccc1F)Nc1cccc(F)c1C#N 48893823 NRAAYLVCUWFCPC-LLVKDONJSA-N 272.298 3.880 30 20 CHED C[C@@H](NCc1ccc(F)c(F)c1)c1cccc(C#N)c1 49577540 KKCDWHREPPTZKC-LLVKDONJSA-N 272.298 3.687 30 20 CHED CCCCCCCCN(Cc1ccccc1)C(N)=O 182406164 BSIPUQWQKSDRJQ-UHFFFAOYSA-N 262.397 3.928 30 20 CHED N#Cc1ccc(OCc2ccccc2[N+](=O)[O-])cc1Cl 190263617 NUPSQHTVCBCMCD-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC[C@@H]1CC[C@@H](C)N1c1nc(C)c(C#N)cc1Cl 311118614 ODXUQBVVNOERGK-BXKDBHETSA-N 263.772 3.682 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1sc2cc(F)ccc2c1Cl 604429793 KEZBXCWDUQUNPH-ZETCQYMHSA-N 296.754 3.678 30 20 CHED N#Cc1ncccc1NCc1cc(Cl)sc1Cl 312748194 CSEQYJPEQFMSRB-UHFFFAOYSA-N 284.171 3.934 30 20 CHED N#CCc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 313430456 UGDAKJGNXZQLDB-NBZXXOOGSA-N 266.388 3.989 30 20 CHED C=CCCOCCN[C@H](C)c1cccc(C(F)(F)F)c1 90883843 IWUZODMMUHXZOJ-GFCCVEGCSA-N 287.325 3.949 30 20 CHED N#Cc1cnc(Oc2cc(Cl)ccc2C#N)c(Cl)c1 474790766 OERZTBUFDWVSHW-UHFFFAOYSA-N 290.109 3.924 30 20 CHED Cc1cc(=Nc2cccc(C3CCC3)c2)c(C#N)c[nH]1 690296877 YHHIXQFEDLOOCX-UHFFFAOYSA-N 263.344 3.695 30 20 CHED Cc1ccc(Br)cc1N[C@H]1CC[C@H](C#N)C1 381429174 AYESPISTDDMOOY-JQWIXIFHSA-N 279.181 3.862 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(C(F)F)c2)C1 386330741 POXBEWQCCAPWJV-UHFFFAOYSA-N 264.275 3.503 30 20 CHED C#Cc1ccc(CNc2cnn(Cc3ccccc3)c2)cc1 809633903 WWNSNXCWALLYAF-UHFFFAOYSA-N 287.366 3.525 30 20 CHED O=C(/C=C/C=C/c1ccccc1)c1ccc(O)cc1 25975875 WXSQITDFOJPSSK-KBXRYBNXSA-N 250.297 3.845 30 20 CHED CC1CCC(=NNC(=S)N[C@H]2CCCC[C@H]2C)CC1 7994259 ALKMHFDZBQGHOV-AOUZGSJDSA-N 281.469 3.595 30 20 CHED C=CCN(CC=C)C(=O)c1sc(-c2ccccc2)nc1C 52930549 YGCUSGGUTLWZDU-UHFFFAOYSA-N 298.411 3.933 30 20 CHED C=CCSc1nc2cc(Cl)ccc2c(=O)n1CCC 58155221 RLFCKWSFOKBXCG-UHFFFAOYSA-N 294.807 3.738 30 20 CHED COc1ccc(O)c(/C=N/CCC2=CCCCC2)c1 111944848 KOGSMMJTFRQABR-SFQUDFHCSA-N 259.349 3.710 30 20 CHED C=CCCCC(=O)OCc1cnc2ccccc2c1 176576336 NKUJUOAKQZVHAA-UHFFFAOYSA-N 255.317 3.634 30 20 CHED C#C[C@@H](C)OC(=O)c1sc2ccccc2c1Cl 174457050 AZKIFUUBPOWTGJ-MRVPVSSYSA-N 264.733 3.733 30 20 CHED N#Cc1ccsc1C(=O)N1CCC[C@@H]1c1ccsc1 52031055 GBKLNQSFJQRYHG-GFCCVEGCSA-N 288.397 3.659 30 20 CHED C[C@@H](CC#N)N(C)Cc1c(O)ccc2oc3c(c12)CCCC3 103460633 IYMRCKVBOHYRNL-LBPRGKRZSA-N 298.386 3.751 30 20 CHED CSc1cccc(N(C)C(=O)c2cccc(C#N)c2)c1 101837694 ZSNZEMOINBAPIP-UHFFFAOYSA-N 282.368 3.557 30 20 CHED CC(C)Oc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 51348100 WFPGVQNGTCAUCJ-UHFFFAOYSA-N 295.342 3.989 30 20 CHED CC[C@@H](C)c1ccccc1OS(=O)(=O)CCCCC#N 170886625 GAWFBJHOTUNNAM-CYBMUJFWSA-N 295.404 3.603 30 20 CHED C=CCS[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 114756827 WWEWMHOTLRZZMV-GHMZBOCLSA-N 283.824 3.825 30 20 CHED CS[C@@H](C)CC(=O)Nc1ccccc1SCCC#N 119548739 QHNZJOXVNYGRDY-NSHDSACASA-N 294.445 3.772 30 20 CHED Cc1ccc(CCCNc2nnc(C)c(C)c2C#N)c(C)c1 29427069 WZARXWXNDRDPAM-UHFFFAOYSA-N 294.402 3.627 30 20 CHED N#Cc1ccc(N[C@@H]2CCCC[C@H]2OC(F)F)cc1 409558866 WFUGRQGOAJXURU-CHWSQXEVSA-N 266.291 3.521 30 20 CHED N#C[C@@H](NC(=O)C1CCCC1)c1cccc(Cl)c1Cl 66393178 OTECNNYJGMEINI-GFCCVEGCSA-N 297.185 3.864 30 20 CHED COCc1cccc(/C=C/C(=O)c2cccc(OC)c2)c1 172814141 JTBCLBAEKVILHO-MDZDMXLPSA-N 282.339 3.738 30 20 CHED N#Cc1csc(C(=O)Oc2ccc(Cl)cc2F)c1 176874040 LLSCNEHKWOKALY-UHFFFAOYSA-N 281.695 3.631 30 20 CHED C#CCCCNC(=O)Nc1ccc(-c2ccccc2)cc1 174270891 OPCQNDARRXTZLL-UHFFFAOYSA-N 278.355 3.889 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCCO[C@H]1C(C)C 177906651 CFQMFEZOSRJJBG-WBVHZDCISA-N 283.456 3.914 30 20 CHED Cc1cccc(CC/N=C(/N)Nc2ccc(C)c(C)c2)c1 303870162 FGPWMCXEAOVTFI-UHFFFAOYSA-N 281.403 3.581 30 20 CHED CCn1ccc(CN(C)c2cc(Cl)ccc2C#N)c1 302702317 IKHZPXUHUYFSHR-UHFFFAOYSA-N 273.767 3.669 30 20 CHED CC[C@H](NCc1cc(C#N)cs1)c1nc(C)cs1 177697427 LSMIGTOCJDGWHD-LBPRGKRZSA-N 277.418 3.626 30 20 CHED C=CCC(CC=C)C(=O)NCc1cccc(Cl)c1 120966239 HGJKBRMQDLNNNX-UHFFFAOYSA-N 263.768 3.725 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1c1c(C#N)cccc1C#N 302891964 PWBMJJWRWHLDKA-RDTXWAMCSA-N 287.366 3.812 30 20 CHED CC(C)C[C@H]1OCCC[C@H]1Nc1snc(Cl)c1C#N 302367925 CDWGEDFSLQWFQB-GHMZBOCLSA-N 299.827 3.674 30 20 CHED CCc1nnc(Sc2ccc(OC)cc2)c(C#N)c1CC 125402331 LSXZUKHWMPRBGO-UHFFFAOYSA-N 299.399 3.633 30 20 CHED CC[C@@H](O)c1ccc(OCc2ccc(C#N)cc2F)cc1 35199439 SGYSGPMZQWDVHS-QGZVFWFLSA-N 285.318 3.720 30 20 CHED Cc1ccc(C[S@](=O)CCCC(C)(C)C#N)cc1C 129682721 XCURIFSHRJYHRW-IBGZPJMESA-N 277.433 3.882 30 20 CHED C=C(Br)CN[C@@H](C)c1ccc(CC)cc1 38012748 QXFZWSHUHYHBBP-NSHDSACASA-N 268.198 3.808 30 20 CHED N#Cc1ccc(Sc2ccc(Br)cc2)nc1 37375182 WZJZXTHFOHYOSJ-UHFFFAOYSA-N 291.173 3.867 30 20 CHED COCc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2C)c1 188888791 JDXLENWMGAOPFJ-CMDGGOBGSA-N 298.386 3.815 30 20 CHED CCCCCCCCC(=O)Nc1c2c(nn1C)CCC2 124110249 DHNOWWLLPZPSHR-UHFFFAOYSA-N 277.412 3.598 30 20 CHED C=CC1CCN(C(=O)NCc2ccc(Cl)cc2F)CC1 187635617 YXAPLFWHIUMPQO-UHFFFAOYSA-N 296.773 3.587 30 20 CHED CC[C@H]1C[C@]1(NCCCCC#N)c1cccc(C)c1 502488154 WSUZNCZFFNQKPO-DOTOQJQBSA-N 256.393 3.904 30 20 CHED C=C(C)CS(=O)(=O)Oc1ccccc1-c1ccccc1 188155125 UIIGAYLEODYCPD-UHFFFAOYSA-N 288.368 3.638 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cnccc1C(C)(C)C 413513727 KXXYHIAEEPJOAT-AWEZNQCLSA-N 289.423 3.533 30 20 CHED CCN(C(=O)[C@H](C)c1ccccc1)c1ccc(C#N)cc1 121285647 LFHWBKNHSBUQMX-CQSZACIVSA-N 278.355 3.715 30 20 CHED C[C@@H](Cc1ccsc1)Nc1nccc(C#N)c1Cl 235141126 KPGJFRHGDCQKEF-VIFPVBQESA-N 277.780 3.711 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@H]1CCC[C@H]1C 184772253 VHSMWPDSXJWMEK-DGCLKSJQSA-N 256.349 3.632 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H](SCC)C1 188390449 GVKSNHKZLDAUMN-HIFRSBDPSA-N 269.454 3.723 30 20 CHED CCc1oc2ccccc2c1C(=O)N(C)C1(C#N)CCC1 122593098 YCFQAUYDAPOFIX-UHFFFAOYSA-N 282.343 3.513 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2cccc(C#N)c2)c1 125307239 JWGBDYVALCBHEY-UHFFFAOYSA-N 278.355 3.532 30 20 CHED Cc1cc(COc2cc(Cl)cc(C#N)c2)ccc1C#N 487443652 GOEGEXQRGMSDDD-UHFFFAOYSA-N 282.730 3.971 30 20 CHED C=CCCCCCN(C[C@H]1CCCO1)[C@@H]1CCSC1 488123937 JDUGVBWCFBSBAY-HZPDHXFCSA-N 283.481 3.719 30 20 CHED N#Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1F 314878575 JZSQCEFZUXZRRQ-UHFFFAOYSA-N 298.361 3.852 30 20 CHED CCOC1CC(CSCc2cccc(C#N)c2F)C1 507114972 DHYRMMBPTCUABL-UHFFFAOYSA-N 279.380 3.746 30 20 CHED C[C@@H](CN(C)CCCC(C)(C)C#N)c1nccs1 183922668 ODKRCDLWPGRZPE-LBPRGKRZSA-N 265.426 3.508 30 20 CHED C=CCCCCNC(=O)NC1(C(F)F)CCCCC1 502186706 MGSDMEODPIOTPA-UHFFFAOYSA-N 274.355 3.610 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)NCCCC#N)C1(C)C 413446007 UIGKBFXJJNVVHU-CYBMUJFWSA-N 279.428 3.536 30 20 CHED N#Cc1cc(NCC2(C#N)CCC2)ccc1C(F)(F)F 419027435 VSSUYUYLYMNKPX-UHFFFAOYSA-N 279.265 3.683 30 20 CHED Cc1coc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc12 189223118 LTKQUUDNMUQQKM-UHFFFAOYSA-N 292.294 3.571 30 20 CHED N#Cc1cc(F)ccc1COc1ccc(C=O)cc1Cl 77566700 HRIHNQNMVGILQS-UHFFFAOYSA-N 289.693 3.742 30 20 CHED O=C1/C(=C/c2cccs2)COc2c(F)cccc21 120865646 DTSPZSRHMPGUOY-VQHVLOKHSA-N 260.289 3.546 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cc2c(s1)CCCCC2 122192120 NQCYNKPCZWHUNL-MRXNPFEDSA-N 290.432 3.685 30 20 CHED C=C[C@@H](CC(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccccc1 412930796 NZWAOCDBLYDSPE-NUEKZKHPSA-N 281.355 3.612 30 20 CHED N#Cc1ccc(CN[C@H](C2CCCC2)C2CC2)cc1F 453396126 YEVFVESTFNISPJ-QGZVFWFLSA-N 272.367 3.756 30 20 CHED C=CCOc1ccc(CNc2nocc2C)cc1Cl 184041324 CONFDHWQVUIMHK-UHFFFAOYSA-N 278.739 3.813 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc(Cl)s1 42211282 SVVXJTWMWJUTQN-UHFFFAOYSA-N 276.792 3.905 30 20 CHED CCC(CC)CC(=O)Nc1ccc(C#N)cc1C(C)=O 411060861 HTYPONKVFHWIGW-UHFFFAOYSA-N 272.348 3.526 30 20 CHED N#Cc1c(COc2ccc3[nH]ccc3c2)cn2ccccc12 505778690 WRQVNNDJDRRFSF-UHFFFAOYSA-N 287.322 3.871 30 20 CHED C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)[C@@H]1c1ccccc1 78573339 KSIPMBOFFDZCJO-SJCJKPOMSA-N 293.326 3.664 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCCCSC 131373585 YWUWITKQBDDYDI-UHFFFAOYSA-N 294.416 3.862 30 20 CHED C=CC[C@H](C(=O)N(C)Cc1ccoc1C)c1ccccc1 188581727 KWTUILPWLCONIZ-KRWDZBQOSA-N 283.371 3.906 30 20 CHED N#Cc1ccc(SC[C@H]2CCCC[C@H]2O)c(Cl)c1 413000141 OMAUXPIVSOAMGD-DGCLKSJQSA-N 281.808 3.855 30 20 CHED CC[C@H](NCc1ccc(Br)cc1C#N)C1CC1 324019942 PWONQEVDIWUGFC-AWEZNQCLSA-N 293.208 3.599 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1ccc(C2CC2)cc1 416071747 XWCKWUIVRXGGFH-CQSZACIVSA-N 287.403 3.724 30 20 CHED CCC(=O)c1cccc(NCCOc2cccc(C#N)c2)c1 135781160 BTNDMCICXFTGAP-UHFFFAOYSA-N 294.354 3.642 30 20 CHED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccncc1 192761825 AKHIIUHHVNJRHM-ZZXKWVIFSA-N 277.245 3.997 30 20 CHED Cc1cc(N2CCC[C@@](C)(C#N)C2)c2ccccc2n1 612107589 HICNVJVFLWZVGY-KRWDZBQOSA-N 265.360 3.673 30 20 CHED C=CCCCN1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 134028049 KDOAAGUEWYFVFD-HUUCEWRRSA-N 296.455 3.578 30 20 CHED C[C@@H]1CN(c2cc(Cl)ccc2C#N)CCC1(F)F 291066395 GKQLENAPGZDKJP-SECBINFHSA-N 270.710 3.693 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCCOCC)cc1 131599503 OLDGPWQBQSHWSV-AWEZNQCLSA-N 297.826 3.895 30 20 CHED N#C[C@H](C(=O)c1cc(Cl)cc(Cl)c1)c1ccccn1 46439765 AKPWVYMNFWEJCP-LBPRGKRZSA-N 291.137 3.878 30 20 CHED N#C[C@@H]1CCC[C@H]1/N=C(/O)c1cccc(C2CCC2)c1 328675524 QWIBOTIBRRITOU-JKSUJKDBSA-N 268.360 3.951 30 20 CHED C=C(Br)CN[C@@H](C)CCc1ccccc1 44482659 VPDRKICFRRGIEC-LBPRGKRZSA-N 268.198 3.506 30 20 CHED N#Cc1c(COc2c(F)cccc2F)cn2ccccc12 192650608 YLEYZXCAIYRRMW-UHFFFAOYSA-N 284.265 3.668 30 20 CHED CCCC[C@@H](CC)CC(=O)N[C@H](C#N)C(C)(C)C 85431366 RQNYYZGDJSVGOW-CHWSQXEVSA-N 252.402 3.647 30 20 CHED CCC(CC)(CC)[S@](=O)Cc1cccc(C#N)c1 190570477 OJGHFDZFEJDASJ-GOSISDBHSA-N 263.406 3.776 30 20 CHED Cc1cccc2c1CN(Cc1cccc(C#N)c1F)CC2 429568026 OZSGNBIJTAHMER-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=CCC[C@@H](NC(=O)/C=C/C=C/C)c1ccccc1 133737459 RJXNAUUDYSBFCB-NLJDKLPASA-N 255.361 3.942 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)c2ccc(Cl)cn2)n1 425254803 FSOOWSATZNSIOJ-NSHDSACASA-N 286.766 3.792 30 20 CHED C#CC[C@@H](C)OC(=O)c1sc(-c2cccs2)nc1C 83785862 WJRZOYQMKAJHEN-SECBINFHSA-N 291.397 3.749 30 20 CHED C=CCCCNCCN(C(=O)OC(C)(C)C)C(C)(C)C 381943914 YCAGMMYYRYCDSA-UHFFFAOYSA-N 284.444 3.578 30 20 CHED CN(Cc1cc(C#N)ccc1F)[C@H]1CCc2ccccc2C1 512316207 XSCCGVSUZWPGKG-SFHVURJKSA-N 294.373 3.687 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc2ccccc2n1CC 425144408 CVQBWBVBQRACDN-UHFFFAOYSA-N 271.364 3.597 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)s2)oc1C 421880079 NZJLPSJSIRRVJW-SNVBAGLBSA-N 260.362 3.680 30 20 CHED N#CC1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 336548134 UVKQQKQTZMGOKL-UHFFFAOYSA-N 296.157 3.875 30 20 CHED C=CCC(C)(C)CNCc1cnc([C@@H]2CCCO2)s1 339415823 GBMPUNUIJIPUMP-ZDUSSCGKSA-N 280.437 3.687 30 20 CHED C=CC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1C(C)C 424683365 XKGMVMQJVKWCQS-CQSZACIVSA-N 297.402 3.690 30 20 CHED Cc1cc(NC(=O)c2cccc(C#N)c2C)ccc1F 337857971 HSDXXOZIRRPTAC-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2nccn2-c2ccccc2)c1 191269378 NZJQYKKMCQOEOT-MDZDMXLPSA-N 299.333 3.640 30 20 CHED C=C(CNC(=O)N(C)C[C@H]1CC=CCC1)c1ccccc1 512671877 HQCFMSWEXFEKDX-INIZCTEOSA-N 284.403 3.698 30 20 CHED C[C@H](c1ccc(Cl)cc1)N1CCC(F)(C#N)CC1 510937920 YKLITBDPZOXZLQ-LLVKDONJSA-N 266.747 3.729 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1C1CCCC1 338163803 ZZTNBTAJESXXBR-KRWDZBQOSA-N 282.387 3.662 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)nn1C(C)(C)C 336085634 WFXDJYHETMFPMP-CYBMUJFWSA-N 290.411 3.519 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)cc1 335371318 AMGSYTLQZNPNEL-BBRMVZONSA-N 282.387 3.502 30 20 CHED O=C1CCc2cc(C(=O)/C=C\c3ccsc3)ccc2N1 97152385 AQRARBQPWLDEAB-KTAJNNJTSA-N 283.352 3.529 30 20 CHED Cc1c(C(=O)Nc2ccc(F)cc2C#N)ccn1C(C)C 334558275 JFTWMCGAHJCUMI-UHFFFAOYSA-N 285.322 3.641 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 334726346 UBSZWWAGMLZYIJ-ABKXIKBNSA-N 297.383 3.662 30 20 CHED C[C@@H](c1cccs1)N(C)c1snc(Cl)c1C#N 92612312 QAHBGLSEROPXET-ZETCQYMHSA-N 283.809 3.927 30 20 CHED C[C@@H]1C(=O)CC[C@H](/C(O)=N/CC[C@@H]2CCCCO2)C1(C)C 330003313 ZPLMEVSQQQKMMW-HZSPNIEDSA-N 295.423 3.544 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](C[C@@H]2CCOC2)c2ccccc2)C1 248866065 QCIFFVAGJZSAMZ-KCITZHQASA-N 298.430 3.826 30 20 CHED C=CCCN(C)c1c(C#N)cnc2c(C)cc(F)cc12 341366295 JLWAWYLVYOKDFP-UHFFFAOYSA-N 269.323 3.566 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H]2CC[C@H]1C2 341686805 GNJNHIMKCWCMCS-OYYDLILQSA-N 266.388 3.714 30 20 CHED CSc1ccc(CNC2(c3cccc(C#N)c3)CC2)o1 603428182 QAXFTBHDVRBPKI-UHFFFAOYSA-N 284.384 3.652 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1csc2ccccc12 349887252 CTDDQVRYCGAKKP-INIZCTEOSA-N 286.400 3.800 30 20 CHED Cc1cnc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)C2CC2)s1 248994643 OMLRXXKAAMMRJK-MRVWCRGKSA-N 275.421 3.575 30 20 CHED CC(C)(C)CCN1CCC(Oc2cccc(C#N)c2)CC1 341879289 WYFOVVVKRDSKMN-UHFFFAOYSA-N 286.419 3.838 30 20 CHED C=CCCCCCN(C)C(=O)NCC(CC)CC 606924481 LOXLPEZZBQACIY-UHFFFAOYSA-N 254.418 3.810 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H]1CCc2ccc(Cl)cc21 342575318 YXVGAEPQOUOTNE-IINYFYTJSA-N 295.835 3.751 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)[C@@H](c1ccccc1)N(C)C 439126446 ATHVFMFRYNGISV-UGSOOPFHSA-N 297.377 3.801 30 20 CHED C=CC[C@H]1N(C(=O)c2ccsc2)CCCC1(C)C 347473726 UKYBBZNCNSNTMM-CYBMUJFWSA-N 263.406 3.955 30 20 CHED CCCc1ccc(CON=Cc2ccc([N+](=O)[O-])o2)cc1 255036206 GGLARVCZQMGOOS-UHFFFAOYSA-N 288.303 3.691 30 20 CHED C=CCCn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 606754523 JENWNNVSJHJORG-UHFFFAOYSA-N 294.276 3.505 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 349358921 OXGKXWVRYUQNRT-JYJNAYRXSA-N 276.424 3.601 30 20 CHED N#CCC1(CN[C@@H](c2ccccc2)C2(CO)CCCC2)CC1 602837272 KTTVPDYZCHBINE-KRWDZBQOSA-N 298.430 3.564 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SC[C@H](C)C(F)(F)F 439028432 QMXHQRKRULTVHD-QWRGUYRKSA-N 295.370 3.507 30 20 CHED C=CCN(C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 437895493 MWCWKHSAESGXSS-GXFFZTMASA-N 299.201 3.677 30 20 CHED CC[C@](C)(NCC1(CC#N)CC1)c1ccc(F)cc1 602925507 XMXLVLZKFURDQV-HNNXBMFYSA-N 260.356 3.734 30 20 CHED CCC(CC)[C@H](O)C/N=C\c1c(O)ccc2ccccc12 255088574 KRYGBLALCUDACH-NPBUNYCVSA-N 285.387 3.761 30 20 CHED Cc1cc([C@H](NCCCC#N)c2cccnc2)ccc1F 346799999 QJHKUDZHLAJQDO-KRWDZBQOSA-N 283.350 3.512 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@H]2C[C@@H]2c2ccccc2)no1 347218647 OIRBKUWQBCGROY-FZKCQIBNSA-N 296.370 3.789 30 20 CHED Cc1cc(N2CCC(n3c(C)ccc3C)CC2)cc(C#N)n1 341851800 HNQLDPJAYVOQNE-UHFFFAOYSA-N 294.402 3.522 30 20 CHED N#Cc1cccc(SCCCC2(C#N)CCOCC2)c1 347782410 WFSZDXLPXDXIDN-UHFFFAOYSA-N 286.400 3.751 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])s1 255398207 MRMIGGVXJZBJNR-UTCJRWHESA-N 289.312 3.566 30 20 CHED CC[C@H](NCc1cccnc1C)c1ccc(C#N)cc1 527988484 SUFMLKUIHARVSQ-KRWDZBQOSA-N 265.360 3.503 30 20 CHED COc1cc(C#N)ccc1CN1CCc2sccc2[C@H]1C 347262433 DHHLEFPNHJUBDI-GFCCVEGCSA-N 298.411 3.748 30 20 CHED CC(C)n1cc([C@@H](C)Nc2cccc(F)c2C#N)cn1 609586013 OLLCJBBDNYHFFM-LLVKDONJSA-N 272.327 3.648 30 20 CHED CCc1nn(C)cc1/C=C1/CCc2ccc(C)cc2C1=O 255318111 BDXCLFBFWSJDSQ-UVTDQMKNSA-N 280.371 3.503 30 20 CHED CCCOc1cccc(CCNc2nc(C)ccc2C#N)c1 346814639 BNKIFKSGEZUYSK-UHFFFAOYSA-N 295.386 3.705 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@H](C)c1ccco1 528863472 JGJPFEVNKCEMRG-NSHDSACASA-N 268.316 3.592 30 20 CHED CC(C)(NCC1(CC#N)CC1)c1cccc(Cl)c1 602798357 BRWOXKKQCCRZQZ-UHFFFAOYSA-N 262.784 3.859 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1OC 448831195 OZPHAIPFEXSGCC-UONOGXRCSA-N 286.375 3.722 30 20 CHED COCCOc1ccccc1CNc1cc(C)cc(C#N)c1 449760442 OSMYZNLKJLEEQD-UHFFFAOYSA-N 296.370 3.504 30 20 CHED N#Cc1cccc(CON=Cc2ccc(Cl)cc2)c1 255072705 LFOYDTIZEOXRCD-UHFFFAOYSA-N 270.719 3.762 30 20 CHED C(=NOCc1coc(-c2ccccc2)n1)c1cccs1 250858791 RGJUNNJLOXAXNO-UHFFFAOYSA-N 284.340 3.954 30 20 CHED C=C1CCN(Cc2ccc(OC(C)C)c(OC)c2)CC1 353327222 DWGGHNAKRJWKSF-UHFFFAOYSA-N 275.392 3.634 30 20 CHED CC(C)n1cc(/C=C\c2nc3ccccc3n2CC#N)cn1 352009746 YJQGJQCCLLUYRP-FPLPWBNLSA-N 291.358 3.508 30 20 CHED C=CC(C)(C)CNCc1ccc(OC[C@@H]2CCCO2)cc1 449483456 ASYRMKHSZFPLML-KRWDZBQOSA-N 289.419 3.546 30 20 CHED Cc1cn(CCCOc2cccc(Cl)c2)cc1C#N 533228277 XGATXZSHEFJIKR-UHFFFAOYSA-N 274.751 3.791 30 20 CHED N#Cc1ccccc1CN1CC[C@@H](Cc2ccc(F)cc2)C1 609916581 YFVPDUDMVOOIFL-INIZCTEOSA-N 294.373 3.762 30 20 CHED N#C[C@H]1CC[C@H](NCC2(c3ccccc3)CCCC2)C1 442714299 JUFYDNGFDRKVPF-RDJZCZTQSA-N 268.404 3.780 30 20 CHED Cc1oc(C(C)C)cc1C(=O)[C@H](C#N)c1ccccn1 353518680 LMNCSOBQURDGFL-CYBMUJFWSA-N 268.316 3.597 30 20 CHED C=CCOCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 355006516 YLWMEQAMITUDSN-INIZCTEOSA-N 293.794 3.500 30 20 CHED CC1(C)C[C@H](NCC#Cc2ccc(Cl)cc2)C(C)(C)O1 444641387 UREDOWJDQRMVAO-HNNXBMFYSA-N 291.822 3.627 30 20 CHED N#Cc1cccc(/C=C/c2nc(CC3=CCCC3)no2)c1 355423198 DADFDGHFAITJKX-CMDGGOBGSA-N 277.327 3.764 30 20 CHED C=CCCC1(C(=O)Nc2ccc(Br)cn2)CC1 354794505 SCZVBNDOBUCPTN-UHFFFAOYSA-N 295.180 3.529 30 20 CHED Cc1cc(CNC[C@H]2[C@H]3c4ccccc4C[C@H]32)ccc1C#N 443998036 NXZIFOXWSPOZJE-ZCNNSNEGSA-N 288.394 3.542 30 20 CHED Cc1cnc([C@@H](C)Nc2cccc(OCCCC#N)c2)o1 356313251 QPCBGIAXVDLIKG-CYBMUJFWSA-N 285.347 3.839 30 20 CHED C=CCC[C@H](NC(=O)NCc1cccn1C)c1ccccc1 269377031 WFRNNWVWDBNEAO-KRWDZBQOSA-N 297.402 3.532 30 20 CHED C[C@@H](NCc1ncc(C(C)(C)C)o1)c1cccc(C#N)c1 611388591 KQCCRZOFEANLIO-GFCCVEGCSA-N 283.375 3.695 30 20 CHED C[C@H]1C[C@@H](C)CN(C[C@@H](C)N[C@H](C)c2ccc(C#N)cc2)C1 538396969 KIMYYBLZLGATJV-YYIAUSFCSA-N 299.462 3.575 30 20 CHED CC1(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CCCCC1 618789968 SKRUORMSXXMLMG-INIZCTEOSA-N 282.387 3.632 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1nc(C)c(C)s1 618382489 XAYKBKCNYQFRMZ-UHFFFAOYSA-N 293.436 3.552 30 20 CHED C[C@@H](C1CC1)N(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1 264287677 AIBCBTZWHUEPJZ-OLZOCXBDSA-N 297.402 3.592 30 20 CHED C=C1CCN(C(=O)c2cccc(-c3csc(C)n3)c2)CC1 266316530 HFDNLSOYYIXLRJ-UHFFFAOYSA-N 298.411 3.911 30 20 CHED C=CCCSCC(=O)NCCCC1CCCCC1 532157102 KXYILPYNOAHBEK-UHFFFAOYSA-N 269.454 3.772 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@@H]2CCC(=O)[C@@H]2C)CCCC1(C)C 357120030 HDPKOYVPWOOIOK-YCPHGPKFSA-N 291.435 3.585 30 20 CHED N#Cc1nc(N2CCC[C@@H]3CCC[C@@H]32)ccc1C(F)(F)F 443513895 YCEFSWBWLJOILI-GWCFXTLKSA-N 295.308 3.741 30 20 CHED COc1ccccc1CCCN[C@@H](C)c1cccc(C#N)c1 611550109 ZETSVRFLDMHHOP-HNNXBMFYSA-N 294.398 3.850 30 20 CHED CC(C)(C)Oc1ccc(CNCc2ccc(C#N)o2)cc1 610270726 NIYOKHBIRMOWOL-UHFFFAOYSA-N 284.359 3.618 30 20 CHED C[C@H](C#N)CN(C)Cc1csc(-c2ccccc2F)n1 264014959 UHXONIRCTVXUFA-LLVKDONJSA-N 289.379 3.541 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC(=C)CC1 362758981 XVUKUZLEDHQGJM-UHFFFAOYSA-N 273.401 3.757 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 450427144 RQSUMIJOJKPWJW-JTQLQIEISA-N 263.303 3.580 30 20 CHED C=CC[C@H]1CCCN(C(=O)CSc2ccc(F)cc2)C1 617788964 VWEWYBAWYMDCIC-ZDUSSCGKSA-N 293.407 3.733 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CC)c1cccc(Cl)c1 362372075 XCINQEGPSJWELC-GXFFZTMASA-N 266.772 3.665 30 20 CHED C=CC(C)(C)CNC(=O)C(C)(C)Cc1ccccc1OC 456112858 FAYJXFACVAAHFT-UHFFFAOYSA-N 289.419 3.592 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@H](C)C2CCC2)c1 455949476 DKMMSSMKPXLSJL-GFCCVEGCSA-N 271.364 3.519 30 20 CHED COc1cccc(CNc2nc(C(C)(C)C)ccc2C#N)c1 613409008 DRTQDIUKZBWMPS-UHFFFAOYSA-N 295.386 3.871 30 20 CHED C=C(C)CCc1noc([C@@H](C)c2cccc(C#N)c2)n1 361262002 IFXJYECSSNJSEV-LBPRGKRZSA-N 267.332 3.602 30 20 CHED Cc1cccc2c(CCC(=O)N(CCC#N)C(C)C)c[nH]c12 610196615 QPDDEWCHZJAQQU-UHFFFAOYSA-N 297.402 3.560 30 20 CHED CC[C@@H](CC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(C)C 618735334 KSJQGGZMHMQODT-WMLDXEAASA-N 284.403 3.734 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@H](c2ccco2)C1 614167012 ZBZNCJUUZMDGHP-ZDUSSCGKSA-N 286.762 3.794 30 20 CHED Cc1cccc(CCCN2CCC[C@@](C)(C#N)C2)c1 612163657 VRRLSGPLQMKZLL-KRWDZBQOSA-N 256.393 3.553 30 20 CHED C=C(C)CN1CCC(NC(=O)[C@@H](C)CCC(C)(C)C)CC1 543521967 CQISYGUJQIPOEQ-HNNXBMFYSA-N 294.483 3.606 30 20 CHED COc1ccc(C2(N[C@@H](C)c3cccc(C#N)c3)CC2)cc1 540723536 SEEVIPLKYFSWSZ-AWEZNQCLSA-N 292.382 3.907 30 20 CHED C=C(C)COc1cccc(NCc2cnc(C3CC3)nc2)c1 459344986 BZPKQAFUIMPYFD-UHFFFAOYSA-N 295.386 3.921 30 20 CHED CSCc1nnc(SCCCCC(C)(C)C#N)o1 277507549 FJVXRNKPEFPRFT-UHFFFAOYSA-N 285.438 3.745 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1cccc(C#N)c1C 450172513 LOJQXIVLFZGLAW-JTQLQIEISA-N 284.281 3.784 30 20 CHED C=CCC[C@H](NCc1cccc2c1OCO2)c1ccco1 278931014 LIEAAQHGMBQBRC-AWEZNQCLSA-N 285.343 3.805 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CC(C)(C)C 454649309 SPGDGDYXBAOUEK-LBPRGKRZSA-N 273.380 3.813 30 20 CHED C=CCN(C(=O)c1cc(C)n(C(CC)CC)n1)C(C)(C)C 622944983 NFUHYQCRUYRCIJ-UHFFFAOYSA-N 291.439 3.979 30 20 CHED C#CCCCCc1nc(-c2ccc(Cl)cc2OC)no1 277849780 BGDYJGVNBJFMBH-UHFFFAOYSA-N 290.750 3.745 30 20 CHED Cc1ccccc1[C@H]1CCCN1CC1(C#N)CCC1 450270441 RSWFARKJAGVLHK-MRXNPFEDSA-N 254.377 3.826 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCCCN(C)C1)c1ccco1 624123435 LUKDRFCSYKMBEW-JKSUJKDBSA-N 276.424 3.608 30 20 CHED N#CCc1ccc(C(=O)N(CC2CC2)C2CCCCC2)cc1 270312574 RLTGJQGUVCASHP-UHFFFAOYSA-N 296.414 3.938 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(CC#N)c1 456761166 XRHVNOBKHNHALO-LSDHHAIUSA-N 296.395 3.865 30 20 CHED C=C(CC)CNC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 455528135 WUGFBZQMUIEPMR-NWDGAFQWSA-N 292.345 3.621 30 20 CHED CC(C)C[C@@H](NC(=O)CC(C)(C)C#N)c1ccccc1 278163921 ATGACZUHDVXHGY-OAHLLOKOSA-N 272.392 3.830 30 20 CHED Cc1ccnc(NCc2cccc(OCC(C)C)c2)c1C#N 543135838 FKHZCUDERNQKAA-UHFFFAOYSA-N 295.386 3.909 30 20 CHED Cc1cccc2c1N(C1CC1)CCN2CCC(C)(C)C#N 547512611 ZJVLYMRPTYCGQQ-UHFFFAOYSA-N 283.419 3.724 30 20 CHED C=CCN(Cc1ccccc1)C[C@H](O)CCc1ccccc1 544408884 VCRNKMUXCSFXKD-HXUWFJFHSA-N 295.426 3.668 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 541131421 HUTFUUDIROAJIG-GVDBMIGSSA-N 293.451 3.787 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F 277763105 SAAWZAMCORCJBD-CMPLNLGQSA-N 277.330 3.848 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 464397231 HSXQHQRMWXEAEJ-XPKDYRNWSA-N 284.403 3.711 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 466135719 XMWGDEPBIQRYFZ-RRFJBIMHSA-N 264.413 3.563 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cccc(O)n1 282430917 HSOTVUICJKSHIQ-ZDUSSCGKSA-N 278.396 3.514 30 20 CHED CC(C)C1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 465651268 DHVSROQPIWDBHZ-CQSZACIVSA-N 299.418 3.697 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1cccs1 288776769 GWGCPXGZYSVLBX-YPMHNXCESA-N 278.421 3.805 30 20 CHED CCc1ccc(NC(=O)c2ncc(C#N)cc2C)cc1Cl 552372149 TUGIFKVVICDQNV-UHFFFAOYSA-N 299.761 3.730 30 20 CHED CCOc1ccc(C#N)cc1NC1Cc2ccccc2C1 461883314 NXXJULSNWZBMQI-UHFFFAOYSA-N 278.355 3.536 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc2c(c1)CCO2 280991592 MQRAKLVKTROTKY-GQCTYLIASA-N 296.370 3.603 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H]2CCC[C@H]21 460959428 OUMVWNOCXLWERD-QLFBSQMISA-N 288.439 3.747 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 552586076 VYJSSRJFVXJTJM-SCTDSRPQSA-N 292.382 3.752 30 20 CHED C=CCCN(C)C(=O)N[C@H](C1CCCCC1)C(F)(F)F 466655544 RVLGLZANZSDGRK-GFCCVEGCSA-N 292.345 3.715 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)c1cccc(C#N)c1 462124920 HHNYVMOEBFAVHI-HNNXBMFYSA-N 284.403 3.867 30 20 CHED N#Cc1ccc(CNC[C@H](c2ccccc2)C2CC2)s1 552273173 VUHDOCOJRFQFPI-QGZVFWFLSA-N 282.412 3.903 30 20 CHED C=CCC(C)(C)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 551240238 GNDPWDFPWZRISN-RRFJBIMHSA-N 263.425 3.526 30 20 CHED C[C@@H](CCC1CC1)NC1(c2cccc(C#N)c2)CC1 556605981 OEIZYKIHHIRRMV-ZDUSSCGKSA-N 254.377 3.716 30 20 CHED N#Cc1ccc(CNCCc2cc3ccccc3s2)o1 555616223 OYDLQPDMKKEAFI-UHFFFAOYSA-N 282.368 3.698 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(OC(F)F)cc2F)C1 802657260 AINDSHINXMKDAW-BDAKNGLRSA-N 270.254 3.531 30 20 CHED C[C@H]1CN(CC(C)(C)CCC#N)Cc2ccccc2O1 292884097 YBIRCSYXZAMDJV-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C=C(C)COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 804782040 MJKMRDBQSDFICW-UHFFFAOYSA-N 291.347 3.767 30 20 CHED C=CCCCCNC(=O)CCc1cc2ccccc2o1 471680719 VXYVCZZNPNFGBR-UHFFFAOYSA-N 271.360 3.838 30 20 CHED C#Cc1ccc(CN2CCc3sccc3[C@@H]2C)cc1 809541152 PNHMTKSRWVYKDW-ZDUSSCGKSA-N 267.397 3.849 30 20 CHED C#CCCCCC(=O)Nc1ccc2cc(OC)ccc2c1 803455919 WLOOYQSDLPHZRV-UHFFFAOYSA-N 281.355 3.981 30 20 CHED C[C@@H]1CC[C@@H](C=NNCc2cccc(Cl)c2)C1 800814009 OEROTWNJFXZEFM-DGCLKSJQSA-N 250.773 3.852 30 20 CHED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CCCC#N 291797793 MZJAMIJTNIVCPB-CQSZACIVSA-N 270.376 3.508 30 20 CHED C=CCC(F)(F)c1nc(Cc2ccccc2Cl)no1 645515787 FFOHTHWDSOBAOA-UHFFFAOYSA-N 284.693 3.982 30 20 CHED C#C[C@@H](CC)N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 809686205 AHWXKZPNAZKJOT-NOOOWODRSA-N 267.825 3.895 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1sccc1Cl 803769076 LOKOUWZSNUEXRO-UHFFFAOYSA-N 294.734 3.749 30 20 CHED C#C[C@H](N[C@@H](C)[C@H](C)c1ccc(OC)cc1)C(C)(C)C 809781790 APOZVZHBDDWODO-ZQIUZPCESA-N 273.420 3.825 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H]1CCS[C@@H]1C 646395320 WMVSITOGLNXZKF-TZMCWYRMSA-N 290.432 3.821 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CCC[C@H](C)C2)c1C#N 562478760 OLLUNVGHBBIBND-GXSJLCMTSA-N 277.393 3.628 30 20 CHED CC1CC(C#N)(C(=O)O[C@H]2CCc3cc(Cl)ccc32)C1 803394510 GLIDLVRMXCZGLI-BHKPVTDMSA-N 289.762 3.810 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](CC(C)C)c1ccccc1C 812040862 JYQWYUBVNGCZDL-NVXWUHKLSA-N 286.419 3.745 30 20 CHED Cn1cc(NN=C2CCCC[C@H]2C2CCCCC2)cn1 814914798 IPFHLGZRMGOMKO-HNNXBMFYSA-N 274.412 3.959 30 20 CHED C=CCC(C)(C)CNC(=O)c1coc(-c2ccccc2)n1 489939808 FCSSYADGKZPLOX-UHFFFAOYSA-N 284.359 3.674 30 20 CHED CC(C)Cc1ccccc1C(=O)N[C@H](C#N)C(C)(C)C 813283718 BCJCNPOWDXZRQM-OAHLLOKOSA-N 272.392 3.553 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)c(Cl)n2)C1 819944268 LTTUTIHJVUKWNX-JGVFFNPUSA-N 289.688 3.858 30 20 CHED Cc1ccc(F)cc1/C=C1/Cc2ccc(C#N)cc2C1=O 811694434 QFNMLTXOIKNWMY-NVNXTCNLSA-N 277.298 3.828 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc2scnc2c1 489023068 YTEZNPDSHUEPBB-UHFFFAOYSA-N 283.356 3.536 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H]1CC[C@H](F)C1 483140491 PPOVWUUYOSMOLJ-UONOGXRCSA-N 276.355 3.817 30 20 CHED COC[C@H](N[C@H](C)c1ccc(C#N)cc1Cl)C(C)C 574353424 IOSSSMJYSPIPFM-ABAIWWIYSA-N 280.799 3.533 30 20 CHED N#Cc1cccc(NCc2cc3ccc(F)cc3[nH]2)c1 486692103 AOBILIFDLZNZOL-UHFFFAOYSA-N 265.291 3.791 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H](C3CC3)C2)s1 579337521 PUHOWRHPMWBRIM-CHWSQXEVSA-N 260.406 3.678 30 20 CHED COCc1ccccc1/C=C(/C)C=NNc1ccnc(F)c1 814226894 MKDUGUNIABAISM-YQBHJHDESA-N 299.349 3.868 30 20 CHED Cc1cc(C)nc(NN=C2CCCCC23CCCC3)n1 814681432 LWVJSXNHLWDYLF-UHFFFAOYSA-N 272.396 3.996 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 480575794 CYIIYRNGORINSQ-CZUORRHYSA-N 281.334 3.841 30 20 CHED CCc1ccc([C@H]2CCCN(c3ccnc(C#N)c3)C2)cc1 573631596 HNCVGHACAIPHJP-KRWDZBQOSA-N 291.398 3.900 30 20 CHED C=CCCCCCCCNC(=O)Cc1cccc(C#N)c1 810767970 BLRGYEZSJJYHPC-UHFFFAOYSA-N 284.403 3.744 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2nccs2)cc1 814811513 IGLJZIISYXOUPP-GFCCVEGCSA-N 273.405 3.951 30 20 CHED CC[C@H](Nc1ccc(OC)nc1)c1ccc(C#N)cc1 577465050 CXGTVPNNFUZWDS-HNNXBMFYSA-N 267.332 3.525 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NOCC1CC1 814941348 WAZCBNHWJHBOGT-NVXWUHKLSA-N 273.376 3.752 30 20 CHED CC[C@@H](C)NN=C1CCc2sc(Br)cc21 814913601 QZCNURXMIJYXFE-SSDOTTSWSA-N 287.226 3.549 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC(C)(C)CCCO 657909769 OTHMFRXUPXWORL-GJZGRUSLSA-N 253.430 3.510 30 20 CHED C=CC[C@H](C(=O)N1CCC(C)=C(C)C1)c1ccccc1 482874381 IIXYCZDZOFJOFG-KRWDZBQOSA-N 269.388 3.915 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 729073292 OEJNDHGVWOFQRT-LLVKDONJSA-N 268.740 3.535 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)ncn1 578604613 WYOOSMGSGVXUNO-GXTWGEPZSA-N 298.777 3.750 30 20 CHED C=CCN(CCCc1c(F)cccc1Cl)CCOC 570009784 ZSNGZKQRXIXOAF-UHFFFAOYSA-N 285.790 3.546 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC(C3CCCC3)C2)c1 572598726 FIVZRTJSSOVFLV-UHFFFAOYSA-N 283.375 3.521 30 20 CHED C=CCCCCN[C@H](C)c1nc2c(s1)CCC2 578107345 PNAHIGGYWSKADT-LLVKDONJSA-N 250.411 3.639 30 20 CHED N#CCc1ccccc1NC(=O)CCc1ccc(Cl)cc1 573284038 KBOFABUCBUQEGF-UHFFFAOYSA-N 298.773 3.977 30 20 CHED O=C1/C(=C\c2ccccc2F)CCOc2ccccc21 728441542 LPOUEQCIYPBEBU-QBFSEMIESA-N 268.287 3.875 30 20 CHED CSc1ccnc(N[C@@H](CCC#N)c2ccccc2)n1 582729070 KIKAYINAAVBLSH-ZDUSSCGKSA-N 284.388 3.655 30 20 CHED C=CCC[C@@H](C)N[C@H](CCC(=O)O)c1ccccc1 901646843 AKRCXJXEFSJHBD-UKRRQHHQSA-N 261.365 3.537 30 20 CHED N#CCOc1cccc(/C=C/c2nc3c(s2)CCC3)c1 901551315 DYNINMVRTSOXLX-BQYQJAHWSA-N 282.368 3.705 30 20 CHED C=CCCNC(=O)Nc1ccc(SC)c(Cl)c1 666257051 IMGFGJOKHLVUIW-UHFFFAOYSA-N 270.785 3.760 30 20 CHED C=C(Cl)CNC(=O)C1(c2cccc(F)c2)CCCCC1 736245618 ZFDMFVWONRFAJN-UHFFFAOYSA-N 295.785 3.896 30 20 CHED C=C(C)CNC(=S)N[C@@H](CC)Cc1ccc(Cl)cc1 734769038 ZCGUYULYENBBDH-AWEZNQCLSA-N 296.867 3.701 30 20 CHED C[C@H](OC(=O)[C@H](C)C1CCC1)c1ccc(C#N)cc1 838389604 UCZHSFMYCRBNSK-NEPJUHHUSA-N 257.333 3.599 30 20 CHED CCCCCCCCC(=O)N1C[C@H](C)OC[C@@H]1CC 830030814 SBCKUDSDYDADGD-GJZGRUSLSA-N 269.429 3.763 30 20 CHED N#CC1(c2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)CCC1 906171366 UNRNCVWJYWUFKY-UHFFFAOYSA-N 279.299 3.602 30 20 CHED C#CCC[C@@H](C)OC(=O)CCc1cncc2ccccc12 839038082 BQVPZIQTUIJWTG-CQSZACIVSA-N 281.355 3.513 30 20 CHED Cc1c(C(=O)N(C)C(C)(C)C)sc2ccc(C#N)cc12 580566637 ZQFMEEXSJZPZLU-UHFFFAOYSA-N 286.400 3.952 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 838514550 QVQANORRWURJRX-ZWKOTPCHSA-N 298.430 3.768 30 20 CHED CC[C@@H](C)C(C)=NNc1cc(C(F)(F)F)ccn1 834983835 VBFNMTISFCRHKA-MRVPVSSYSA-N 259.275 3.934 30 20 CHED CC[C@](C)(OC)c1noc(-c2ccc(C#N)c(Cl)c2)n1 582696443 JKAIEZGGIYKIPF-AWEZNQCLSA-N 291.738 3.533 30 20 CHED CCc1nocc1/C=C/C(=O)c1cc(C)sc1C 834408641 MCIVEQKEESBKCX-AATRIKPKSA-N 261.346 3.811 30 20 CHED CSc1cc(C)ccc1CNC(=O)CCCCCC#N 588161334 FBPIVIAVFSNHMY-UHFFFAOYSA-N 290.432 3.807 30 20 CHED Brc1ccc(NN=C/C=C\c2ccco2)cn1 732712256 XXLQFENZBSIMSJ-ORSVNFICSA-N 292.136 3.548 30 20 CHED C=CC[C@@H](C)NCc1ccc2c(c1)CCC(C)(C)O2 735086727 RJJTUGVRHUPKAA-CYBMUJFWSA-N 259.393 3.844 30 20 CHED Cc1ccc2cc([C@@H](C)NCC3(C#N)CC3)oc2c1 903105534 DLBZMONEGJGZBJ-GFCCVEGCSA-N 254.333 3.696 30 20 CHED Cc1cccc2cc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)oc12 839049104 HISVLIBWZVSULI-OCCSQVGLSA-N 283.327 3.980 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc2nc(O)oc2c1 588232162 CNVJQONOSYCJKW-NSHDSACASA-N 287.363 3.514 30 20 CHED C#CCOc1ccc(NC(=O)[C@@H](C)SCCCC)cc1 730980457 KUZIHLNLPODDHN-CYBMUJFWSA-N 291.416 3.559 30 20 CHED C[C@@H](CCNC(=O)c1ccsc1C#N)c1ccccc1 906489491 WSFFJAVHPKYLNO-LBPRGKRZSA-N 284.384 3.543 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccccc1C(=O)O 736097575 NIAFTVFHMHQMKM-UHFFFAOYSA-N 290.363 3.595 30 20 CHED COc1ccccc1CC(C)=NNc1ccc(C#N)cc1 915962191 JVRAQWKZEUOBMG-UHFFFAOYSA-N 279.343 3.597 30 20 CHED C=CCCOC(=O)C1(c2ccc(C)c(OC)c2)CCCC1 731137415 GYXHYGRETHFFLF-UHFFFAOYSA-N 288.387 3.935 30 20 CHED COc1ccc2[nH]cc(C=NNc3ccccc3F)c2c1 730145172 QOGXVWZUFGGFKJ-UHFFFAOYSA-N 283.306 3.762 30 20 CHED C#CCN(Cc1cnccc1C)[C@H]1CCc2ccccc21 746451005 QITUXARTWDXDJZ-IBGZPJMESA-N 276.383 3.513 30 20 CHED Cc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)cc1 595061623 SPINDNKDVUOEIV-OAHLLOKOSA-N 264.372 3.760 30 20 CHED CC[C@@H](C#N)C(=O)N(CC(C)C)c1ccc(Cl)cc1 593529180 YPGBZJQQJQSDBY-LBPRGKRZSA-N 278.783 3.879 30 20 CHED C[C@@H](OC(=O)[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 748680829 XDAJMXQFYUHRGR-NWDGAFQWSA-N 259.349 3.845 30 20 CHED N#Cc1cn(CCCCC(F)(F)F)c(=O)c2ccccc12 596313279 SKSFNHHICNPWOP-UHFFFAOYSA-N 294.276 3.606 30 20 CHED CCN(Cc1cc(Cl)cc2cccnc12)[C@@H](C)C#N 595813771 OTZFRPDORAZXOW-NSHDSACASA-N 273.767 3.622 30 20 CHED Cc1ccc2c(C)cc(N3CCC[C@@H](CC#N)C3)nc2c1 596321482 HYQUFNPLFIIQJZ-HNNXBMFYSA-N 279.387 3.982 30 20 CHED CC(C)(C)c1ccc(C=NOCc2nccs2)cc1 746559172 VWLICUBXUTVZRL-UHFFFAOYSA-N 274.389 3.991 30 20 CHED Cc1cc(C)c2c(c1)CC[C@H]2NCc1ccc(C#N)cc1 848519132 PSQZDERWJUVECB-GOSISDBHSA-N 276.383 3.952 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCSC1 742780776 DRWQAQJJIMLJPI-CYBMUJFWSA-N 257.443 3.749 30 20 CHED COc1ccc(F)cc1[C@H](C)NCCc1ccc(C#N)cc1 595058166 YSNXMRPUQBKZKL-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED CCc1c(NCC2(CC#N)CC2)cnn1-c1ccccc1C 594706640 CGSOKROBPGXHGH-UHFFFAOYSA-N 294.402 3.849 30 20 CHED CC(C)(C#N)c1ccc(CNC2CC(C(F)(F)F)C2)cc1 594506274 PEAWFLXSAFLMDZ-UHFFFAOYSA-N 296.336 3.918 30 20 CHED CCCCCCCCCCNC(=O)N1CCC(CN)CC1 841857571 IRLHCEHQMIWBEQ-UHFFFAOYSA-N 297.487 3.507 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 840668021 QJCWKZDEJSJASF-UONOGXRCSA-N 291.778 3.927 30 20 CHED CC1(C)CN(c2ccnc(C#N)c2)[C@H]1c1ccccc1 911751105 IOBLDCLMWPDUMW-INIZCTEOSA-N 263.344 3.541 30 20 CHED C=CCCOCC(=O)N1c2ccccc2CC[C@@H]1C(C)C 677665190 ZQMDPHXSAKCOMT-MRXNPFEDSA-N 287.403 3.583 30 20 CHED CCC(=NNc1cncc(Cl)n1)c1ccc(C)cc1 914557588 UDRYCPWGORCPGC-UHFFFAOYSA-N 274.755 3.665 30 20 CHED CC(C)c1nccnc1NN=C1CCCCC[C@H]1C 844594432 RXHCTFJOBPHGBU-GFCCVEGCSA-N 260.385 3.968 30 20 CHED C=CCOC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 913268129 VFNFGWIHLYNQLJ-UHFFFAOYSA-N 296.326 3.673 30 20 CHED Cc1ccc(C#N)nc1N1CCC(c2ccccc2F)CC1 596129320 GNWMOYJILOKFBY-UHFFFAOYSA-N 295.361 3.785 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)Cc2cc(F)ccc21 749005037 IAXPTCMZTYUEAL-VZUCSPMQSA-N 273.694 3.697 30 20 CHED C#C[C@@H](OC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C)c1ccccc1 842391129 ITLKEYNGJTYPIG-FRFSOERESA-N 298.382 3.546 30 20 CHED CC(C)CCOc1ccccc1NC(=O)c1c[nH]c(C#N)c1 594382220 CEXYQSCOUUKSON-UHFFFAOYSA-N 297.358 3.564 30 20 CHED C[Si](C)(C)C#CCCNC(=O)c1cccc(C(F)F)c1 912332579 UGBCJGJPOXKDOZ-UHFFFAOYSA-N 295.405 3.625 30 20 CHED Cc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)s1 595055534 GFLRKSDXTILGQA-CYBMUJFWSA-N 270.401 3.822 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C2CC3(CC3)C2)cc1 597131522 WFYLCNLVPALPLR-UHFFFAOYSA-N 298.386 3.522 30 20 CHED CCC[C@H](OC)c1noc([C@H](C)Cc2ccc(C#N)cc2)n1 594531220 PXFUFEKLSSPCCB-DOMZBBRYSA-N 299.374 3.775 30 20 CHED COC(=O)Cc1ccc(NN=C[C@@H]2CCC[C@@H](C)C2)cc1 844606326 UKRWUAUUFHPJLV-UKRRQHHQSA-N 288.391 3.626 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](C)c3ccccc32)c1 915683451 QYFOZUAVSIQFOF-ZDUSSCGKSA-N 276.339 3.824 30 20 CHED CCc1cc(C(=O)NC[C@@H](C)C#N)sc1-c1ccccc1 594287143 PTUVYTLKXLFFPG-LBPRGKRZSA-N 298.411 3.867 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ccc(Cl)nc2)o1 743450565 MUTAXYVANCQOLU-JOYOIKCWSA-N 275.739 3.897 30 20 CHED N#CC1(CC(=O)N2CCC[C@@H]2c2ccccn2)CCCCC1 596913628 KPJRUXOXLBAJNU-MRXNPFEDSA-N 297.402 3.609 30 20 CHED C[C@@H](NC(=O)/C=C/c1ccccc1C#N)C1CCCCC1 741596972 PXAJCXWZJBOGCF-GCZGRYASSA-N 282.387 3.656 30 20 CHED CCCCCC[C@H](C)NC=C1C(=O)CC(C)(C)CC1=O 920976736 QXIAMJZBOHBTSG-ZDUSSCGKSA-N 279.424 3.777 30 20 CHED C=CCNC(=S)N1CCC[C@@H]1[C@H](CC)c1ccccc1 746685759 TWJHXWAHAMAZBR-HZPDHXFCSA-N 288.460 3.705 30 20 CHED FC(F)(F)c1csc(NN=Cc2cccs2)n1 755900685 OBXWAVAYUJJNCH-UHFFFAOYSA-N 277.296 3.669 30 20 CHED N#CC1(CCCCN(CC(F)F)C2CC2)CCC1 929597536 LBJMYRDXRZCAJH-UHFFFAOYSA-N 256.340 3.580 30 20 CHED Cc1cc(COC(=O)C2(C#N)CCCCC2)c(C)s1 920673503 PWTJUSDIEDZNJE-UHFFFAOYSA-N 277.389 3.882 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCc2ccc(F)c(C#N)c2)c1 758953109 WKCOLXQRGWCYJU-CYBMUJFWSA-N 297.329 3.853 30 20 CHED CCCCc1ccc(N=Cc2ccc(O)c(O)c2O)cc1 920946204 RUIGQERCGMTYBW-UHFFFAOYSA-N 285.343 3.897 30 20 CHED C=C(C)CCOC(=O)[C@@H](c1ccccc1)N(CC)CC 755707890 MILUIDFJGKNYMH-MRXNPFEDSA-N 275.392 3.579 30 20 CHED C#CC[C@@H](/N=C\c1cccc(OCC)c1O)c1ccccc1 756847413 RVMXQSQODMCHON-LCJWNIEWSA-N 293.366 3.974 30 20 CHED CCCC[C@@](C)(F)C(=O)O[C@H](C)CC(C)(C)C#N 851205870 MUUOFWAIQQRMDY-BXUZGUMPSA-N 257.349 3.776 30 20 CHED Cc1csc([C@@H](N[C@@H](C)CC(C)(C)C#N)C2CC2)n1 925145688 CCHDFJMPRHHOJW-GWCFXTLKSA-N 277.437 3.821 30 20 CHED CCS[C@H](C)c1noc(-c2cc(C#N)ccc2C)n1 923952031 GZZCDGWVDXQFGG-SNVBAGLBSA-N 273.361 3.731 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)CCc1ccccc1 921219208 QISPYZWLITVNJB-CABCVRRESA-N 276.376 3.532 30 20 CHED CCCN(CCCCC1(C#N)CCC1)CC(F)F 929466940 VMAWGFQPBHZHCD-UHFFFAOYSA-N 258.356 3.828 30 20 CHED C#C[C@](C)(CC)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 854697388 AYLHVYUOQXIFFN-XHDPSFHLSA-N 297.320 3.727 30 20 CHED C#CCCCC(=O)N1c2ccccc2CC[C@@H]1C(C)C 758702892 BEQAZPNCMNLJFX-MRXNPFEDSA-N 269.388 3.794 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc(C(C)(C)O)cc1 926566548 AAKJXGRIKXCIRF-ZDUSSCGKSA-N 274.408 3.504 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC(C2CCCCC2)CC1 921146663 CGWKLCCPFKVTIM-OAHLLOKOSA-N 293.451 3.787 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(N3CCCCC3)c2)C1 758185096 RDHJMBJLGCCMPY-UHFFFAOYSA-N 297.402 3.555 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1c1ccccc1 929614010 KVIFRCBFQHDLMB-HOCLYGCPSA-N 257.377 3.952 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccnc1C(F)(F)F 859592304 UFSNOIUIIUXWDE-UHFFFAOYSA-N 299.292 3.912 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H]1c1cc(C)on1 858110174 LKDBYOROHOPTMF-OAHLLOKOSA-N 293.411 3.800 30 20 CHED COc1cccc(/C=C2\Cc3c(F)cccc3C2=O)c1 921263886 KGRGIYBWHFSBML-XYOKQWHBSA-N 268.287 3.657 30 20 CHED O=C(/C=C\c1ccsc1)c1cc(F)cc(F)c1O 757472446 HOYDIUCHMOOHNK-UPHRSURJSA-N 266.268 3.628 30 20 CHED C=C(C)[C@H](CC(=O)OCc1c(C)cccc1C)OCC 756472053 SUIMSJVCUZSTBA-INIZCTEOSA-N 276.376 3.718 30 20 CHED CCSc1ccccc1CC(=O)OCC1(CC#N)CC1 923074550 FFESZXVOQAWENR-UHFFFAOYSA-N 289.400 3.578 30 20 CHED CSc1ccc(C=NNc2cc(C)ccn2)cc1 755904639 ZTQWTDOTQNYTGD-UHFFFAOYSA-N 257.362 3.558 30 20 CHED Cc1nc(Cl)cc(NN=C2CCCCC2(C)C)n1 757583642 FQXWQVQBQBVFSC-UHFFFAOYSA-N 266.776 3.807 30 20 CHED C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1C(C)C 852098186 HDXRSVWMUFJVFQ-KBXCAEBGSA-N 286.419 3.529 30 20 CHED Cc1nc[nH]c1C=NN[C@H](C)c1ccc(C(C)C)cc1 755663208 YEKLTAVNKUDBLA-GFCCVEGCSA-N 270.380 3.526 30 20 CHED CC(C)n1cc(C=NOc2ccccc2C(F)(F)F)cn1 754709103 JQXPTSASSNUCMU-UHFFFAOYSA-N 297.280 3.896 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCCC(=O)C(C)(C)C 851204862 DSZBVTVYGIYIML-GFCCVEGCSA-N 281.396 3.643 30 20 CHED C#CCN(C(=O)c1cc(Cl)cs1)C1CCCCC1 758160160 NEFXEPCFYZWCKS-UHFFFAOYSA-N 281.808 3.810 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1cn(CCCCC)nc1C 935185631 PQZUWKLHRVCYRU-HNNXBMFYSA-N 291.439 3.600 30 20 CHED Cc1cc(O)c(CN(C)c2ccc(C#N)cc2F)cc1C 754765168 NIRWFTKSHZVNMI-UHFFFAOYSA-N 284.334 3.656 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 934739533 RVZHVXYIZOZPPA-CHWSQXEVSA-N 299.374 3.516 30 20 CHED C#Cc1cccc(NC(=O)Cc2ccc(C)cc2Cl)c1 761852158 ICGXXMWBTRFEOL-UHFFFAOYSA-N 283.758 3.811 30 20 CHED C#CCCCOc1ccccc1N1CCC[C@H](C)C1 766742000 ODEAANAUQZMWDZ-HNNXBMFYSA-N 257.377 3.715 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H](C)C(CC)CC 761497343 SBFFRWLEFZLDQY-LBPRGKRZSA-N 289.375 3.935 30 20 CHED C#CCN(CC)C(=O)c1cccc(N[C@H](C)C(C)C)c1C 764515317 OOBNWLLKLQWLGH-OAHLLOKOSA-N 286.419 3.547 30 20 CHED C=CCN(Cc1cc2cccc(OC)c2o1)C(C)C 768547788 PESMBDBDKQOCII-UHFFFAOYSA-N 259.349 3.838 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccccc1COC(C)(C)C 932538188 CAGISJTVBUUGHC-LBPRGKRZSA-N 292.379 3.629 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1ccc(C#N)cc1F 761494887 GTQCXARYAUITMF-LLVKDONJSA-N 277.339 3.813 30 20 CHED C#CC[C@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)C(C)C 765961552 ZGCACCVVMYIYCE-KMDWOBIYSA-N 281.355 3.772 30 20 CHED C#CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 763797554 WKEFOBNLONIKJW-UHFFFAOYSA-N 299.757 3.838 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)O[C@@H](C#N)C(C)(C)C 765630669 UUDBMVWPTNFFLM-JTQLQIEISA-N 294.420 3.844 30 20 CHED C=CCCCC(=O)Nc1n[nH]c(C)c1-c1ccc(C)cc1 863936374 LFTSCAZSFHBNDL-UHFFFAOYSA-N 283.375 3.988 30 20 CHED C=CCCCCN[C@H](C)c1ccc(N2CCCC2=O)cc1 769986277 HSJRNDJBPSSBPS-OAHLLOKOSA-N 286.419 3.820 30 20 CHED CC(C)(C)c1ccc(C(=O)OCCCCC#N)s1 763516490 MXMSPVCMIRMXSB-UHFFFAOYSA-N 265.378 3.896 30 20 CHED CC(=NNc1ccc(C(=O)O)cn1)c1cc(C)c(C)cc1C 763368937 QPTUXVLPEJKARO-UHFFFAOYSA-N 297.358 3.541 30 20 CHED N#CCc1ccc(COC(=O)c2ccc(Cl)cc2)cc1 776112778 AYQQSYDODOAQPT-UHFFFAOYSA-N 285.730 3.763 30 20 CHED CCCCCCCc1nc(-c2cccn3ccnc23)no1 771443629 TYKFWHPVWALHSV-UHFFFAOYSA-N 284.363 3.897 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)OCC1(C#N)CC1 775839862 BJHBMMAABLIOQP-UHFFFAOYSA-N 292.338 3.518 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(CN(CC)CC)cs1 878379026 OSJRURVYZUZSPE-UHFFFAOYSA-N 295.452 3.526 30 20 CHED C=CCN(Cc1coc(-c2ccccc2OC)n1)C1CC1 878342607 ZARXCPFZFICRDD-UHFFFAOYSA-N 284.359 3.501 30 20 CHED CC(CCc1ccco1)=NNc1nccnc1C(C)C 773089891 AMLYQLPGWKZEMF-UHFFFAOYSA-N 272.352 3.614 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC(C)(C)C(C)(C)C 1117887926 PCCUIXKAWYHLGE-UHFFFAOYSA-N 272.392 3.669 30 20 CHED C=C(CC)COC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 773498401 XKCAPHNRHRMLMG-UHFFFAOYSA-N 276.380 3.639 30 20 CHED COC[C@H](C)NN=C(C)c1ccc(SC(C)C)cc1 777891135 LJNMHSSSTIYQCN-LBPRGKRZSA-N 280.437 3.536 30 20 CHED N#Cc1ccc(-c2nnc(-c3nccc4ccccc34)o2)cc1 1117214549 VPSPZYPHCRZOHW-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C#CCSCCN[C@H](c1ccc(C)o1)C1CCCC1 775634111 RBGZQVDOXUZQBC-INIZCTEOSA-N 277.433 3.775 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1cccc2cccnc12 779818538 YVZHULYXDYYPJN-UHFFFAOYSA-N 287.326 3.557 30 20 CHED Cc1cc(C)c(C(=O)O[C@H](C#N)C2CCCCC2)o1 776393587 HSMGRMJYJMDEHR-CYBMUJFWSA-N 261.321 3.526 30 20 CHED N#Cc1cccc(COC(=O)/C=C\c2cccc(F)c2)c1F 774882907 MFHWFDFMPXQJBN-FPLPWBNLSA-N 299.276 3.593 30 20 CHED C=C1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)CC1 1119726752 YMEGXFSFNGZFFK-UHFFFAOYSA-N 287.407 3.715 30 20 CHED C#CCCCNC(=O)c1sc(-c2ccccc2C)nc1C 773022376 VALJPQKMRCCBEZ-UHFFFAOYSA-N 298.411 3.570 30 20 CHED CC(=O)[C@@](C#N)(CCN1CC[C@@H](C)C[C@H]1C)c1ccccc1 878728028 IHKSGQVUCZTBMN-MDZRGWNJSA-N 298.430 3.547 30 20 CHED O=C(/C=C\c1cc(F)cc(Cl)c1)c1cccnc1 776721648 IWDYBWSBLSXIIE-ARJAWSKDSA-N 261.683 3.770 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)c1c(F)cccc1F 776799140 NKDYAAUSPIQDAK-LBPRGKRZSA-N 286.325 3.996 30 20 CHED Cc1cc(C)c(CC(=O)Oc2ccc(C#N)cc2)c(C)c1 774058491 NQMWQEZBRXKJIF-UHFFFAOYSA-N 279.339 3.632 30 20 CHED O=C(C#Cc1ccccc1)Nc1ccc(C2CC2)cc1 772425735 FMYOEKDJOWGDCZ-UHFFFAOYSA-N 261.324 3.554 30 20 CHED C#CCCCCCC(=O)Nc1cccc2ccncc12 779930280 ODLFGXNVWXVUIS-UHFFFAOYSA-N 266.344 3.757 30 20 CHED C[C@H](C(=O)O[C@H](C)CC#Cc1cccnc1)c1ccccc1 1123062498 RRQUZPNGYIUCSG-CVEARBPZSA-N 293.366 3.559 30 20 CHED COC(=O)c1cccc(NN=Cc2cccc(C)c2C)c1 779828614 ZNGRXZOKLIRSRJ-UHFFFAOYSA-N 282.343 3.536 30 20 CHED C=CC(C)(C)CC(=O)N(CC)[C@@H](CC)c1ccncc1 889114539 HMLZAGFMTPIZEU-HNNXBMFYSA-N 274.408 3.984 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(-c2ccc(F)cc2)o1 775183128 IVKSYESQOBKMFU-GFCCVEGCSA-N 257.308 3.539 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cn1 1120732918 BCPZVRSUHQYCFP-GFCCVEGCSA-N 298.308 3.671 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(-n2cccn2)cc1 785759462 LNSWPFZWGDZOEU-KRWDZBQOSA-N 284.359 3.518 30 20 CHED CCC[C@H](CC)C(=O)Nc1sc2c(c1C#N)CCC2 1124214799 WQFQEYHABHKWQA-JTQLQIEISA-N 276.405 3.873 30 20 CHED Cc1ccc(F)c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1N 783300942 DTCVMGYWOTXSTF-NSHDSACASA-N 298.317 3.506 30 20 CHED Cc1nc2c(NC(=O)c3cccc(C#N)c3C)cccc2o1 1128978699 AHWMORGIQIISHD-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C[C@@H](C(=O)OCc1ccc(C#N)cc1Cl)c1ccco1 784229474 DOQWCHIRDXHQES-SNVBAGLBSA-N 289.718 3.652 30 20 CHED C#CCn1ccc(CN(CC)C[C@H]2CCCC(C)(C)C2)n1 789762022 QNWIIFJYMJVHIL-INIZCTEOSA-N 287.451 3.555 30 20 CHED CC(=NOCc1cccnc1)c1ccc(C#N)cc1Cl 788437040 LBJALLIPJWKSKT-UHFFFAOYSA-N 285.734 3.547 30 20 CHED CC(=NOCc1cccnc1)c1csc(Cl)c1 787161444 CQFGPLVNUVEARJ-UHFFFAOYSA-N 266.753 3.737 30 20 CHED CC(C)(C)CCNN=Cc1cnc(C2CCC2)s1 782903697 YUHIQEKMFHMGLP-UHFFFAOYSA-N 265.426 3.770 30 20 CHED CC[C@H]1CCCC[C@@H]1OCC(=O)OCCCC(C)(C)C#N 784741074 LHZSMDQRQRYAFR-GJZGRUSLSA-N 295.423 3.845 30 20 CHED CC[C@H](C)[C@H](C)C(=O)OCc1ccc(C#N)c(C)c1 784615262 VHZBCWZLAAHGBQ-AAEUAGOBSA-N 259.349 3.592 30 20 CHED C=C(C)CCOC(=O)Cc1cccc(OC(F)(F)F)c1 784526023 VHLKNLAOUBJOJU-UHFFFAOYSA-N 288.265 3.637 30 20 CHED COc1ccc(NN=Cc2cc(C)c3ncccc3c2)cc1 783857203 WXQHJZXCXCHSTO-UHFFFAOYSA-N 291.354 3.998 30 20 CHED N#Cc1ccc(NC[C@H]2CCCS2)cc1Cl 87475519 VUOQWTLVTZSFOY-LLVKDONJSA-N 252.770 3.519 30 20 CHED Cc1nc(N[C@H](c2ccncc2)C2CC2)c(Cl)cc1C#N 897423724 OSPBSETYZVFLAR-HNNXBMFYSA-N 298.777 3.873 30 20 CHED CC(C)c1cccc2c1OCCC2=NNc1ncccc1F 794990291 KRUJQOBBCAKFIG-UHFFFAOYSA-N 299.349 3.943 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(Cl)cc2)c1 103033143 SARQINDCJXZXRN-UHFFFAOYSA-N 269.731 3.598 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798783787 LYUFUDAAVVIYRH-JOYOIKCWSA-N 285.265 3.654 30 20 CHED N#CCCN(Cc1ccco1)Cc1cccc2c1NCCC2 893882382 SHWFIOXOHJBQCP-UHFFFAOYSA-N 295.386 3.554 30 20 CHED COC(=O)c1occc1/C=C/C(=O)c1cc(C)ccc1C 797109117 HPBLJHVNQAXFQE-VOTSOKGWSA-N 284.311 3.579 30 20 CHED CC(C)[C@H](CC(=O)Nc1ncc(C#N)s1)c1ccccc1 896479295 BKQDETUAVKGMCG-AWEZNQCLSA-N 299.399 3.783 30 20 CHED C[C@@H]1CC/C(=C/C(=O)[C@H](C#N)c2cnc3ccccc3n2)C1 792100192 LKOLRZUZJREVDZ-XWJOTYRJSA-N 291.354 3.552 30 20 CHED Cc1cccc(/C=C2/COc3cc(F)ccc3C2=O)c1 794726402 CAWJACUWLWUJHJ-JYRVWZFOSA-N 268.287 3.793 30 20 CHED Fc1cccc(NN=Cc2ccc(C(F)F)cc2)n1 795008134 WVOKJXKMERRFGH-UHFFFAOYSA-N 265.238 3.604 30 20 CHED CC(C)C1CCC(C=NNc2nccnc2Cl)CC1 794912846 NALDEYBFOFDZGY-UHFFFAOYSA-N 280.803 3.990 30 20 CHED C=CCCSCCN[C@H](C)Cc1ccccc1OC 595059390 NHJNLUCJFHXVRS-CQSZACIVSA-N 279.449 3.525 30 20 CHED Cc1ccc(C(=O)N(C2CC2)[C@@H](C)C(C)C)cc1C#N 799307561 LROLGAIAEOMECH-ZDUSSCGKSA-N 270.376 3.516 30 20 CHED Cc1ccc(C(=O)Nc2cccc3ccncc23)cc1C#N 799348527 UXMVYZGDMSGEBW-UHFFFAOYSA-N 287.322 3.667 30 20 CHED COc1ccc(NC(=O)Nc2cc(C)ccc2C)cc1C#N 1202767421 BRAXUMPTSZDBNZ-UHFFFAOYSA-N 295.342 3.828 30 20 CHED Cc1c(NN=C2CCC23CCC3)cccc1[N+](=O)[O-] 799878669 DZMOZYMPEHGPTF-UHFFFAOYSA-N 259.309 3.635 30 20 CHED CCn1ccnc1SCc1ccc(C#N)cc1Cl 689762506 DFJWMVAGHDXLFD-UHFFFAOYSA-N 277.780 3.720 30 20 CHED Cc1ccc(OC(=O)c2c(F)cc(C#N)cc2F)cc1F 791023309 DNKCKVMVCMSZFV-UHFFFAOYSA-N 291.228 3.503 30 20 CHED Cc1nc(C(C)C)oc1C(=O)OCCCCC(C)(C)C#N 796194405 LPCBQOCYBXXQDB-UHFFFAOYSA-N 292.379 3.983 30 20 CHED CC[C@@H]1CCC[C@H](NCc2ccc(OCC#N)cc2)C1 68592121 LNBGZJWWJYEBDP-ZBFHGGJFSA-N 272.392 3.647 30 20 CHED CC[C@H](C)CON=Cc1c(C2CC2)nc2sccn12 793143987 AWQFQXXYHVZRNK-JTQLQIEISA-N 277.393 3.670 30 20 CHED C=CCOCCOC(=O)CCSc1ccc(C)c(C)c1 797297152 OWUIKSXCKZGAEP-UHFFFAOYSA-N 294.416 3.531 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 794342610 QZFWLIQJVMYBIK-MQNTZWLQSA-N 296.414 3.856 30 20 CHED C#CCCCCC(=O)Nc1cccc2c1CCCC2 692946962 VOHVGWHJLIDPHM-UHFFFAOYSA-N 255.361 3.698 30 20 CHED CC(=C\c1ccccc1)/C=C1\CCc2nn(C)cc2C1=O 794962804 XWZIBBJHDLHKPF-FVIOEUFFSA-N 278.355 3.579 30 20 CHED C=CCCCC(=O)N1Cc2ccc(Br)cc2C1 765224783 SSJIUJYIZSPRIP-UHFFFAOYSA-N 294.192 3.648 30 20 CHED N#CCC1(COc2cccc(Br)c2)CC1 88255536 CEGFOFNCCOSDMA-UHFFFAOYSA-N 266.138 3.522 30 20 CHED CC1=CCC[C@H](C)[C@H]1CNCc1ccc(C#N)cc1 775306509 MGKQACDCUPNHIJ-YOEHRIQHSA-N 254.377 3.640 30 20 CHED CC[C@H](Nc1cncc(C#N)n1)c1cccc(Cl)c1 1306982203 MMHZDENFIQLHBQ-ZDUSSCGKSA-N 272.739 3.565 30 20 CHED N#CCOc1cc(F)ccc1NCc1cccn1C(F)F 1308676393 LVASZTWFMWPKKL-UHFFFAOYSA-N 295.264 3.537 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc(C(C)(C)C)nn1 1319366326 GWGYEKXAZGEYJP-GFCCVEGCSA-N 274.412 3.998 30 20 CHED CC(C)(C)ON=C(Cc1ccccc1[N+](=O)[O-])C1CC1 1319685354 QBSKOVUARYTAGA-UHFFFAOYSA-N 276.336 3.718 30 20 CHED Cc1cc(CN[C@@H]2CCCCC2(C)C)ccc1C#N 1655836532 NQYNQAPWLBVTFO-MRXNPFEDSA-N 256.393 3.925 30 20 CHED CC(C)(C)c1ccc(OCc2nnc(C#CC3CC3)o2)cc1 1327318268 OFCFSZHSNYQFAJ-UHFFFAOYSA-N 296.370 3.708 30 20 CHED N#Cc1ccc(-c2cccc(CNC(=O)CC3CC3)c2)s1 1329101265 MDDQXQRRMOBFDV-UHFFFAOYSA-N 296.395 3.703 30 20 CHED CCC(CC)N(C(=O)c1cccc(C#N)c1C)C1CC1 1327103106 XLDLHHKTJXXOSF-UHFFFAOYSA-N 270.376 3.660 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1c(F)cccc1F 1321738681 DDFDNZRUIITBKX-UHFFFAOYSA-N 287.265 3.502 30 20 CHED N#Cc1ccnc(/C=C/c2ccc(OC(F)F)cc2)c1 1324934766 ZBVCCXDGDSYEJR-DAFODLJHSA-N 272.254 3.725 30 20 CHED CC1(C)CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1650713885 HVDXVAONRDOBRV-UHFFFAOYSA-N 271.408 3.877 30 20 CHED CCOc1ccc(C[C@H](C)CNc2cccc(C#N)n2)cc1 1186654840 ODNLAXQHZUVIAZ-AWEZNQCLSA-N 295.386 3.643 30 20 CHED C=CCC[C@@H](NCCC1CCOCC1)c1ccco1 1327889384 HKLLVKAYSSRROT-OAHLLOKOSA-N 263.381 3.693 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc(Cl)cs1 1186334849 IOEIIUHBJCANSE-NSHDSACASA-N 275.764 3.768 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 1181365448 GCRMOUAHBMXMEL-GJZGRUSLSA-N 276.424 3.793 30 20 CHED CC[C@@H](C)CN(CC)c1nnc([C@H](C)CCC#N)n1CC 1339741297 CYDYHFYTJPTKMX-ZIAGYGMSSA-N 291.443 3.578 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc2oc(C)nc12 1262654387 FVDDXKUFWGJKNL-CYBMUJFWSA-N 284.359 3.707 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC(C)(C)C2(C)C)c1 1344493131 NJMXGKAGNDSADV-UHFFFAOYSA-N 271.364 3.519 30 20 CHED Cn1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c1-c1ccccc1 1347230361 GDAYNCASLHSXNZ-DZGCQCFKSA-N 294.354 3.541 30 20 CHED C#CCCCCCC(=O)NC1CCC(CSC)CC1 1261268915 ZBMIJZQUKJRWRI-UHFFFAOYSA-N 281.465 3.608 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cnn(C)c1C 1341928377 ZLCFAAWIKDBTTB-UHFFFAOYSA-N 276.771 3.526 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(-n2cccc2)ccc1F 1346314184 IIDVGVSERUAIRO-CYBMUJFWSA-N 299.349 3.540 30 20 CHED C=CC(C)(C)CC(=O)OCCC(F)(F)C(F)(F)F 1344306568 ISJRADLCQUUMCS-UHFFFAOYSA-N 274.229 3.720 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2sccc2C#N)C1 1275116639 JHFWPVCBGRYRIF-NSHDSACASA-N 263.362 3.745 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C(C)(C)c1ccc(Cl)cc1F 1350035899 AXNVITYYUTUVGA-JTQLQIEISA-N 296.773 3.517 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)CCc1ccc(C#N)cc1 1435779446 RBOLJTXDSLYNFD-JKIFEVAISA-N 285.387 3.859 30 20 CHED N#Cc1ccc(CNc2ccc(C#N)cc2Cl)c(F)c1 109542254 OWFZPYNIPKCCLB-UHFFFAOYSA-N 285.709 3.835 30 20 CHED Cc1ccc(C(=O)OCc2ccccc2Cl)cc1C#N 1351826971 PQGAHCBVOYOOLU-UHFFFAOYSA-N 285.730 3.877 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCC[C@H]1CC(C)C 1355860627 ZESJBKYURDFBLC-INIZCTEOSA-N 284.403 3.908 30 20 CHED N#Cc1ccnc(C(=O)Nc2ccc(Cl)cc2Cl)c1 1351252396 TXEQCZLTUWAHCD-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1cccc(OC)c1 1354419963 XJRVCPGYVDSWED-RHSMWYFYSA-N 287.403 3.961 30 20 CHED CCCCCCCC(=O)N1CCC(c2ncccn2)CC1 1529035409 AYKHCHPEOOBDGX-UHFFFAOYSA-N 289.423 3.543 30 20 CHED CC[C@H](C)n1nccc1C(=O)O[C@H](C)c1cccc(C#N)c1 1525571807 JXWVFCRZAZGPGI-QWHCGFSZSA-N 297.358 3.644 30 20 CHED CCN(C(=O)c1cccc(SCC#N)c1)C(C)(C)C 1523634986 NZIWHJOPVUCCTE-UHFFFAOYSA-N 276.405 3.563 30 20 CHED C=CC[C@@H](S[C@H]1CCCc2ccccc21)C(=O)O 1602849964 SBWWLRKUSGYRGA-UONOGXRCSA-N 262.374 3.827 30 20 CHED CO[C@](C)(CN1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC1 1461880075 IYAYFMPEFVAIPG-GBESFXJTSA-N 298.430 3.573 30 20 CHED Cc1ccc(N(C)Cc2cccc(C(=O)O)c2C#N)c(C)c1 1600432883 SUXBCGONTXEBJN-UHFFFAOYSA-N 294.354 3.510 30 20 CHED CCCCCCCCC(=O)Nc1ccc(CN)cc1 115061733 HLWPEAZNVWHULP-UHFFFAOYSA-N 262.397 3.834 30 20 CHED Cc1ccc(C#N)c(NCCc2ccc(Cl)c(C)c2)n1 1612420047 XFRWNWZXGQJERQ-UHFFFAOYSA-N 285.778 3.878 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](N=c2cc[nH]c(C#N)c2)C1 1472804952 SGBLKXNEYHJSFJ-QILLFSRXSA-N 291.398 3.759 30 20 CHED CC(=O)c1ccc(Oc2cc(C)ncc2C#N)c(C)c1 1559095886 QZXCGIFVXZIPOC-UHFFFAOYSA-N 266.300 3.565 30 20 CHED Cc1ccc(CC(C)(C)Nc2ncc(C#N)cc2F)cc1 1559215997 KVTZUFMQWJUQCJ-UHFFFAOYSA-N 283.350 3.834 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1Cc1cccc(C#N)n1 1560637662 KOTHTUYZWCVUFG-LJQANCHMSA-N 291.398 3.709 30 20 CHED Cc1cccc(C)c1CN(C)c1snc(Cl)c1C#N 1640473193 OWGZCDWDFZZOTP-UHFFFAOYSA-N 291.807 3.921 30 20 CHED Cc1nsc(S[C@H]2CCc3ccccc3C2)c1C#N 1655662445 TVFVOJVKRGJOCN-ZDUSSCGKSA-N 286.425 3.973 30 20 CHED C=C(CCC(=O)O)C(=O)N(CCCC)[C@@H]1CCC[C@H](C)C1 1588612844 YLOOFOOHJAEMOQ-DZGCQCFKSA-N 295.423 3.615 30 20 CHED CCC(C=NNc1ccc(C(=O)O)c(Cl)c1)CC 1595030533 RBRIGHYCCUNRNZ-UHFFFAOYSA-N 268.744 3.872 30 20 CHED CCCC(CCC)=NNc1ccc(F)c(C(=O)O)c1 1776061386 SWWPYUNHUVFJIM-UHFFFAOYSA-N 266.316 3.892 30 20 CHED N#Cc1ccccc1NC(=O)c1cnc(Cl)c(Cl)c1 19398502 CMAWBHOXUSYAJB-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C#N 150788764 WJXIEQPAUQWHBL-UHFFFAOYSA-N 297.317 3.835 30 20 CHED C=C(C)CNC(=O)Cc1coc2ccc3ccccc3c12 161145334 NBMHSXWESBSSHD-UHFFFAOYSA-N 279.339 3.821 30 20 CHED C=C(C)CN(C)C(=O)c1cc(C)cc(C)c1Br 162476984 WLCBHAHJNRUXSD-UHFFFAOYSA-N 296.208 3.714 30 20 CHED CCCCCCCCN1CCCN(C(=O)C(C)C)CC1 158382309 FMUGGYCVYQECEO-UHFFFAOYSA-N 282.472 3.537 30 20 CHED C=CCC[C@@H](NC(=O)N[C@H](C)CSC)c1ccccc1 158683280 JQBPCAILWROHDV-UKRRQHHQSA-N 292.448 3.745 30 20 CHED N#Cc1ccc(CSc2nccs2)c(Cl)c1 163429528 WGRXUFYCBBATBD-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](CC)c2ccncc2)cc1 163680563 RVOARVSFMUEFKB-BEFAXECRSA-N 294.398 3.896 30 20 CHED C=CCOc1cccc(NC(=O)c2cc3occc3[nH]2)c1 151696557 HIMUNUPYPBGNAX-UHFFFAOYSA-N 282.299 3.578 30 20 CHED N#CCc1cccc(C(=O)OC2(Cc3ccccc3)CC2)c1 153086602 SCOHKIUHWMBAIV-UHFFFAOYSA-N 291.350 3.685 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ccccc1Oc1ccccc1 153558799 CHIYZQQMNWQMIF-CYBMUJFWSA-N 295.342 3.903 30 20 CHED C#Cc1cccc(NC(=O)c2cnn(C(CC)CC)c2C)c1 156631108 RSXUHHDFHGFGBG-UHFFFAOYSA-N 295.386 3.786 30 20 CHED CCN(CC#N)C(=O)C1(c2cccc(Cl)c2)CCCC1 154975865 IXZCCCPLIAZTKA-UHFFFAOYSA-N 290.794 3.524 30 20 CHED C=CCNc1nnc(SCc2ccc(F)cc2)s1 11526839 ABWNCFREMQFAHG-UHFFFAOYSA-N 281.381 3.567 30 20 CHED CCCOc1ccc(NCc2ccc(C#N)o2)cc1 125548497 WSELQKLCFCLZKP-UHFFFAOYSA-N 256.305 3.552 30 20 CHED C#CCCCCCCN[C@@H]1CCOC2(CCCC2)C1 877087376 KFQUCIZRSACHSC-MRXNPFEDSA-N 263.425 3.652 30 20 CHED CC(C)N(CCC#N)Cc1cccc2ccccc12 42530717 AQKJLUWCPCNFRA-UHFFFAOYSA-N 252.361 3.964 30 20 CHED C=C(C)COCCNC1CC(c2cccc(Cl)c2)C1 167539202 CAWIDGWWFLZPEK-UHFFFAOYSA-N 279.811 3.768 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc(F)cc1Cl 46517877 FFCLSXRACJRUQP-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=CCC[C@@H](C)NC[C@@]1(C)CCN(Cc2ccccc2)C1 309711679 JOUBCABGEWKIKP-IEBWSBKVSA-N 286.463 3.843 30 20 CHED COC1(CNc2ccc(Cl)c(C#N)c2)CCCCC1 319177795 MWUAVTPNOJBJBO-UHFFFAOYSA-N 278.783 3.973 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N1CCC[C@@H](C#N)C1 701214709 AUODATMEVZRTPW-CABCVRRESA-N 262.397 3.521 30 20 CHED N#Cc1ccnc(N2CC[C@@H]2c2ccccc2)c1Cl 334427646 XGAZMPITTDSLDC-CYBMUJFWSA-N 269.735 3.558 30 20 CHED C=CCC(C)(C)CNCc1nc2c(s1)CCCC2 645185090 RAKUXOJGEYYSBS-UHFFFAOYSA-N 264.438 3.714 30 20 CHED C=CC[C@H](CC)NCc1csc(-c2ccccn2)n1 341428132 BRMNONYKBGHZQS-LBPRGKRZSA-N 273.405 3.649 30 20 CHED Cc1cc(N(CCC#N)CC(C)(C)C)nc(C(C)C)n1 577412483 RRXRWLHULZYBKR-UHFFFAOYSA-N 274.412 3.675 30 20 CHED Cc1nc(C#N)cc(Nc2cccc(C3CCC3)c2)n1 690294359 HELVQHOZYVASRA-UHFFFAOYSA-N 264.332 3.668 30 20 CHED Fc1cccc(Cl)c1C=NNCc1ccccc1 916344671 YGBNIUPALZXNLE-UHFFFAOYSA-N 262.715 3.603 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 7586244 NCTYKMNZMIAVSZ-BJMVGYQFSA-N 287.309 3.927 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1cccc(F)c1C#N 224439504 PPAUXAZNDPNOPR-UONOGXRCSA-N 264.369 3.783 30 20 CHED N#Cc1cc(Cl)ccc1NCCOC1CCCC1 111726637 BTXAWSOTKVIEPL-UHFFFAOYSA-N 264.756 3.583 30 20 CHED N#Cc1cc(F)ccc1Cn1cc(-c2ccccc2)cn1 103136123 XUQDAXBDAGJRML-UHFFFAOYSA-N 277.302 3.609 30 20 CHED C=CCCCOC(=O)c1oc(-c2ccccc2)nc1C 176776514 LURNMTYJAWCUKZ-UHFFFAOYSA-N 271.316 3.773 30 20 CHED CC[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 117153925 IMHQATKYLCYBHV-HNNXBMFYSA-N 284.403 3.530 30 20 CHED CC(C)(C)CCCC(=O)Nc1ccc(F)cc1C#N 177572943 YOONEUQEHANPRO-UHFFFAOYSA-N 262.328 3.852 30 20 CHED N#Cc1ccnc(S[C@H]2CCc3ccc(F)cc32)c1 178502216 AREBJNWKFYIULR-AWEZNQCLSA-N 270.332 3.872 30 20 CHED C=CCCCC(=O)Nc1nc(-c2cccc(O)c2)cs1 175722592 CHCIGWZPIWFOAY-UHFFFAOYSA-N 288.372 3.811 30 20 CHED C[C@H](O)[C@](C)(CNc1ccc(C#N)cc1)Cc1ccccc1 302732949 UWSCVPWBQUYQNM-KXBFYZLASA-N 294.398 3.600 30 20 CHED CC(C)(C#N)CCCOc1cccc(C(F)(F)F)n1 179950231 OEDZRAHBRXHJAP-UHFFFAOYSA-N 272.270 3.809 30 20 CHED Cc1[nH]c(SCCCC#N)nc1Cc1ccccc1 21326919 QNIPDSFWPWFISJ-UHFFFAOYSA-N 271.389 3.705 30 20 CHED Cc1ccc(CNc2ccc(Cl)c(C#N)n2)cc1F 301212437 VRHCTGSXNDUPSE-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=C(C)[C@@H](Nc1cc(C)ncn1)c1ccc(F)c(F)c1 302489849 ZNKISUACEPDTMY-OAHLLOKOSA-N 275.302 3.793 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(C#N)cs1 177071818 RWPKGZBYGJLNET-DOMZBBRYSA-N 296.395 3.638 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCCCCCC2)c1 302093224 HYWVJAVBDYBJGW-UHFFFAOYSA-N 256.349 3.531 30 20 CHED C=CCN(C(=O)COc1cc(C)ccc1C)c1ccccc1 61268366 VLAFJZXZZHQPIB-UHFFFAOYSA-N 295.382 3.901 30 20 CHED C[C@@H](Sc1ncccc1[N+](=O)[O-])c1ccc(C#N)cc1 118175985 FMMAFLPXXSTBLN-SNVBAGLBSA-N 285.328 3.715 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCC[C@H](C)C1 178547446 GJBPRTWVSMVIEZ-SWLSCSKDSA-N 285.391 3.909 30 20 CHED N#Cc1ccc(CCC(=O)Oc2ccccc2Cl)cc1 24689239 CCLQEQZFZCHVPX-UHFFFAOYSA-N 285.730 3.750 30 20 CHED COCCC1(CNc2c(C#N)cnc3ccccc23)CCC1 301687995 XONSCJNREHHXKG-UHFFFAOYSA-N 295.386 3.725 30 20 CHED C[C@@H](C#N)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 126730703 WXXGLORMDWYHED-YVEFUNNKSA-N 286.325 3.750 30 20 CHED N#Cc1ccc(C(=O)OCCc2cccs2)cc1Cl 123288046 KVYAUZUYAXGYNE-UHFFFAOYSA-N 291.759 3.673 30 20 CHED C=C(C)COc1cccc(NC(=O)Cc2ccc(C)nc2)c1 66463114 PAASLMVYAOZRGT-UHFFFAOYSA-N 296.370 3.526 30 20 CHED N#Cc1cccc(N[C@H](c2ccccc2)c2nccs2)n1 122814522 UCDWEIALVZGGMP-OAHLLOKOSA-N 292.367 3.611 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)[C@@H](C)C1CCCCC1 185500697 IJXCDKKUCISYMX-ILXRZTDVSA-N 261.413 3.624 30 20 CHED C=C(Br)CN[C@H](C)c1cccc(OCC)c1 125083139 HSXBHSNDIDUSPT-LLVKDONJSA-N 284.197 3.645 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc(OC3CCCC3)nc2)C1 185784592 FXMSMHDFINUJOB-GDBMZVCRSA-N 299.418 3.575 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1O 35326401 INSZDTGSNUUMOD-FNORWQNLSA-N 283.283 3.505 30 20 CHED Cc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)sc1C 33179321 YFRKPTZVQLCZDZ-LLVKDONJSA-N 284.384 3.728 30 20 CHED C=CCC[C@H](NCc1nnc(C2CC2)s1)c1ccco1 414329574 QXDYGQULXIRSBW-LBPRGKRZSA-N 289.404 3.806 30 20 CHED N#Cc1cc2c(nc1NCCc1ccc(F)cc1)CCCC2 217628477 LLWKQZMXDKGICV-UHFFFAOYSA-N 295.361 3.626 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(C#N)c1 74644922 QBGKHCKQWKYNEU-GOSISDBHSA-N 290.366 3.708 30 20 CHED N#Cc1cc(F)ccc1N1CCCC2(CCCC2)C1 445667118 YUPBSJJXZJOSNB-UHFFFAOYSA-N 258.340 3.858 30 20 CHED C=C(C)[C@H](NCc1ccnn1CC)c1ccc(F)c(F)c1 187374782 WWQCVCDTUVFCGY-INIZCTEOSA-N 291.345 3.588 30 20 CHED C=CCCOCCNCc1cccc(Cl)c1Cl 120826211 PMNQXQVDGPHHAR-UHFFFAOYSA-N 274.191 3.676 30 20 CHED C=C(C)CSCc1cc(OC)c(F)cc1[N+](=O)[O-] 184049060 YKASWLGNLWQSGA-UHFFFAOYSA-N 271.313 3.552 30 20 CHED N#C[C@@H](COC(=O)/C=C/c1cccs1)Cc1ccccc1 79221924 CNKKSGUUUZEVGG-HVHJFMEUSA-N 297.379 3.687 30 20 CHED C=C[C@@H](C)N[C@@H]1CCc2cc(Br)ccc21 157225117 CKYXHZSHXXQENC-NOZJJQNGSA-N 266.182 3.601 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N(CC)c1ccc(C#N)cc1 410530854 XMRBMASFWVGWLY-ZBFHGGJFSA-N 270.376 3.737 30 20 CHED C[C@H](CCc1ccc(O)cc1)Nc1ccc(OCC#N)cc1 314123884 MEMPUBRCVOYNHC-CQSZACIVSA-N 296.370 3.728 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)Cc1cccc(F)c1 410126582 BLVVNNMHVBVDLJ-XJKSGUPXSA-N 277.383 3.865 30 20 CHED C=CCOc1cccc(NC(=O)NC2(C)CCCC2)c1 503269330 OVUJVHYXCQFMFN-UHFFFAOYSA-N 274.364 3.706 30 20 CHED COc1cc(C)sc1C(=O)OCC1(C#N)CCCCC1 183699476 BFRCTHMEUFBUFH-UHFFFAOYSA-N 293.388 3.696 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)Cc1cccc(Cl)c1 410833829 ICPNPBXHKGJDKS-WFASDCNBSA-N 292.810 3.669 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn(-c2ccccc2F)c1 188504785 XVAABBRKKOBGDE-MRXNPFEDSA-N 287.338 3.552 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N2CCc3cc(C#N)ccc32)C1 416016736 IHVYWWNLKUPJCD-UONOGXRCSA-N 282.387 3.664 30 20 CHED C=CCn1c(S[C@H](C)c2cnccn2)nc2ccccc21 185146502 KOOLVLDIYSQJPS-GFCCVEGCSA-N 296.399 3.866 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(F)cc1OCC#N 180747791 NBSYGOLOWSEGBY-VXGBXAGGSA-N 262.328 3.741 30 20 CHED CCc1oc2ccccc2c1CNCC1(C#N)CCC1 418143995 RVIVFRKVNUOOLZ-UHFFFAOYSA-N 268.360 3.779 30 20 CHED Cc1cccc(CN(C)CCC2(C#N)CCCCC2)n1 411389450 NEEYAGICWOYRBZ-UHFFFAOYSA-N 271.408 3.686 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3ccco3)C2)cc1Cl 609512782 MPMQRUXQXIXKLT-GFCCVEGCSA-N 272.735 3.799 30 20 CHED C[C@@H]1CC(Nc2c(C#N)nnc3ccccc23)C[C@@H](C)C1 85920667 WASQMTHNXGXIJM-RYUDHWBXSA-N 280.375 3.738 30 20 CHED C=CCN(Cc1cccs1)Cc1c(F)ccc(O)c1F 507014949 ZADLKJOIICPUOM-UHFFFAOYSA-N 295.354 3.920 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@@H](CC)c1ccccc1 410829802 SJVSLJIMKSNJJA-ZBFHGGJFSA-N 272.392 3.721 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)NCc1ccc(C#N)cc1 47616672 NBVUDLPYTFUSJG-CQSZACIVSA-N 287.407 3.572 30 20 CHED C=CCSCCN[C@H](C)CCc1cccc(C)c1 221943012 NSMIWFBWQXXLNJ-OAHLLOKOSA-N 263.450 3.825 30 20 CHED N#CCCC[S@](=O)Cc1ccc(Cl)c(Cl)c1 190730891 OBTQIEUOINOCIS-INIZCTEOSA-N 276.188 3.546 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)N[C@H](c2ccccc2)C2CCC2)C1 425439273 DZUNZQZCHIIZEC-IAOVAPTHSA-N 297.402 3.519 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1CCCc2occc21 192808211 LNAGCMDAMVAFNF-HNNXBMFYSA-N 297.354 3.652 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)s1 41546270 ABFZFUPRSTXVMS-JTQLQIEISA-N 282.324 3.688 30 20 CHED OC1=N[C@@H](/C(O)=N/[C@@H](c2cccs2)C2CC2)CCC1 328818600 QDXOFQCCNQOXAU-ZWNOBZJWSA-N 278.377 3.665 30 20 CHED CC(C)CN(C(=O)[C@@]12CCC[C@H]1C2)c1ccc(C#N)cc1 421438106 QJPJRZUFIPFMBY-MAUKXSAKSA-N 282.387 3.737 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H](F)C3)c2c1 514832370 AARNXLTYZHLNMT-CQSZACIVSA-N 283.350 3.662 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)C(C)(C)C 425639313 PDBWLRRJJPTPPJ-QWHCGFSZSA-N 272.392 3.760 30 20 CHED CCc1cccc(NC(=O)[C@](C)(C#N)CC)c1CC 519566259 VNPMNVUYCWVZGQ-INIZCTEOSA-N 258.365 3.690 30 20 CHED N#CCCN(CCc1c(F)cccc1Cl)CC1CC1 81514562 BNFYYVKUYWKCQZ-UHFFFAOYSA-N 280.774 3.647 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@@H](C)c1ccc(OC)cc1 424682068 GVTVXFUKGONGJB-CQSZACIVSA-N 289.419 3.907 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 190188194 RQXZNWKMGIJHHP-ROUUACIJSA-N 299.414 3.649 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1csc(C(C)C)n1 330459839 ZZMMQWDBQRUKFR-CQSZACIVSA-N 279.409 3.899 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)c(Cl)c1Cl 335112730 RIVUUUQSDDYHSM-VHSXEESVSA-N 297.185 3.724 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(Br)c1 190124128 QBHMCVVNOMPAMJ-AWEZNQCLSA-N 296.208 3.668 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(F)cc1OCC 425445215 OZSTWZFFZRZKEL-UHFFFAOYSA-N 265.328 3.765 30 20 CHED C=CCOc1ccc(CNC2(C(C)C)CC2)cc1OC 339502522 CIUUEDJICQHTQX-UHFFFAOYSA-N 275.392 3.538 30 20 CHED C=C[C@H](CC(=O)N1CCSCC[C@H]1C)c1ccccc1 190082829 FISHCQXVJNSNPD-HUUCEWRRSA-N 289.444 3.700 30 20 CHED CC[C@H](c1ccccc1)[S@@](=O)Cc1ccccc1C#N 339151206 AUFPKXZEHVHVPE-XLIONFOSSA-N 283.396 3.958 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(F)c1F 335786107 WBNNNCLYVZPPQA-JTQLQIEISA-N 266.291 3.537 30 20 CHED N#CC1(c2ccccc2)CCC(N[C@H]2CC[C@H](F)C2)CC1 336625765 SOOOCQIFIRKJEP-NALMEZQBSA-N 286.394 3.871 30 20 CHED COc1cccc2cc(C(=O)/C=C\c3cccnc3)oc12 96765881 KDVHIKAORITSQD-FPLPWBNLSA-N 279.295 3.733 30 20 CHED Cc1coc(C)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 330501518 AJUQQDKCNRRHNP-NSHDSACASA-N 288.372 3.966 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(CCC#N)CC2CC2)o1 93091446 RODZEJMUYLIJMK-IUODEOHRSA-N 258.365 3.529 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1 424831030 JDEUXDDUKOJTCS-JKSUJKDBSA-N 287.403 3.660 30 20 CHED CC#CCN(C)C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 518430006 LSLYHJJETLFWNU-SJORKVTESA-N 293.451 3.624 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 337028655 CJKSTPZGKYCMFO-GXFFZTMASA-N 298.308 3.617 30 20 CHED N#Cc1ccc(NC(=O)c2cc3ccc(F)cc3s2)nc1 96474371 JZQVGEXYYKRJKP-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)N[C@H]2CCC[C@H]2C#N)c1 331469852 CLQHYIKJJPSXOJ-ULQDDVLXSA-N 297.402 3.534 30 20 CHED CC(C)[C@H](C)N(C(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 433300231 SOKFUWSLFRMFNH-DOTOQJQBSA-N 298.430 3.794 30 20 CHED N#CCCCCNCc1cnc(-c2ccccc2)s1 237818268 FPXINLGCUVPVLR-UHFFFAOYSA-N 271.389 3.594 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@]1(C#N)CC12CCCC2 333208665 PEWOQKUSUJKKTF-QFBILLFUSA-N 294.398 3.573 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](C)C[C@@H](C)C1 338806310 XPSBKQJENXIUIH-OKILXGFUSA-N 288.439 3.604 30 20 CHED C=CC[C@H](C)NC(=O)CCc1ccc(-c2ccccc2)[nH]1 522645576 BMIZPXUMYMTQMG-AWEZNQCLSA-N 282.387 3.695 30 20 CHED CC(C)CN(C(=O)Nc1ccc(C#N)cc1)C1CCCC1 520153358 CWYHUIVWHBXQQU-UHFFFAOYSA-N 285.391 3.991 30 20 CHED C=CCC(C)(C)C(=O)Nc1nnc(-c2ccccc2)s1 432418934 XISUJBNMGJNIHM-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CC(C)CCOc1ccc(CNCC2(CC#N)CC2)cc1 430025270 WCHVCFFJQMDFIB-UHFFFAOYSA-N 286.419 3.895 30 20 CHED C[C@H](CCC#N)CNCc1ccnc(-c2ccccc2)c1 602726678 XWFFBSVEMHJKOX-OAHLLOKOSA-N 279.387 3.778 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)C[C@@H](C)CCC#N)C1 602485091 PYBKSFFHKSMSRJ-BFHYXJOUSA-N 254.443 3.532 30 20 CHED CO[C@H](CNc1cccc(OCCCC#N)c1)CC(C)C 602486627 FKWZDFPHEBGFFI-KRWDZBQOSA-N 290.407 3.842 30 20 CHED CC(C)(C)[C@@H]1CCCN1CC#Cc1ccc(F)cc1 438193141 UJEVDBXIPZATPN-INIZCTEOSA-N 259.368 3.688 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl 248575794 PEESZSQPCBFVMD-COPLHBTASA-N 278.783 3.703 30 20 CHED COc1ccccc1C1(CNC[C@H](C)CCC#N)CCC1 602616664 MMRLYMBOELENIY-OAHLLOKOSA-N 286.419 3.646 30 20 CHED C=CCN1CCC[C@H]1c1ccc(Br)c(F)c1 430218770 NWBRWHBDIMSSED-ZDUSSCGKSA-N 284.172 3.911 30 20 CHED C=CC[C@H](CO)CN[C@H](CC)c1ccc(OC(F)F)cc1 341892203 WHBXXGNXVJDFEM-SWLSCSKDSA-N 299.361 3.513 30 20 CHED C=CCCOCCCCC(=O)NCC1CCC(C)CC1 342731384 UMNWTBKDQJVHCE-UHFFFAOYSA-N 281.440 3.692 30 20 CHED Cc1nsc(N[C@H]2C[C@@H]2c2ccc(Cl)cc2)c1C#N 343047823 YQNXQNGQUXGXCW-YPMHNXCESA-N 289.791 3.945 30 20 CHED CC1(NC(=O)Nc2ccc(F)cc2C#N)CCCCC1 435153041 ZUJIRKNKNQLDJF-UHFFFAOYSA-N 275.327 3.542 30 20 CHED C=CC[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1C(C)C 604881340 YFXRUOTVWSCIFS-AWEZNQCLSA-N 297.402 3.690 30 20 CHED C[C@H](CCC#N)CNc1cccc(OC[C@H]2CCCO2)c1 602487430 MAMFKJBJUCLQTP-RHSMWYFYSA-N 288.391 3.596 30 20 CHED C=CCOc1ccccc1C(=O)NCCc1cccc(C)c1 522170801 ZJGZZLHWCLNQTH-UHFFFAOYSA-N 295.382 3.532 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2cc(C#N)c[nH]2)n1 341182262 IMAVQMRNDOKYSM-NWDGAFQWSA-N 270.336 3.620 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)c(C)c2)c(F)c1 447292796 AGHLLPOIRSDINY-UHFFFAOYSA-N 283.302 3.787 30 20 CHED CC[C@@H]1CCCC[C@@H]1CN[C@H](C)CC1(C#N)CCOCC1 602676380 ZMRFPUGBINHKSE-BRWVUGGUSA-N 292.467 3.891 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(C#N)cc1)CC2 609289504 SWEHRXRJSWXMRY-QGZVFWFLSA-N 291.354 3.676 30 20 CHED C=CCC[C@@H](O)CN[C@@H](CC(C)C)c1ccccc1 341052997 FXQKCTXOPRJZTG-SJORKVTESA-N 261.409 3.691 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)CCC1CCCCC1 449872621 WWQDOIRNZLTELL-LBPRGKRZSA-N 287.407 3.674 30 20 CHED CCc1cccc(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 447904501 QKHDZTGWXAKGPO-RBUKOAKNSA-N 298.430 3.676 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCc2ccc(Cl)cc2)C1 442859646 AOYBIOPKHCFPLN-UKRRQHHQSA-N 262.784 3.554 30 20 CHED Cc1cccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccn2)c1 442833896 VNICBPAKBIVPDU-WDYCEAGBSA-N 291.398 3.761 30 20 CHED CCOc1cc(/C=C2\CCCC(C)(C)C2=O)ccc1O 255060196 ZVWKXSFUGJNLMP-JLHYYAGUSA-N 274.360 3.954 30 20 CHED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC1(CC#N)CC1 602778680 JYSAWXGPMTZZMC-UKRRQHHQSA-N 272.367 3.697 30 20 CHED Cc1cc(CCNC[C@H](C)CCC#N)ccc1Cl 602677701 RYUTVSNSIIAZCP-GFCCVEGCSA-N 264.800 3.720 30 20 CHED CC(C)CN(C(=O)c1cc2ccccc2n1CC#N)C(C)C 609170507 TVJBYQFFZUAWLM-UHFFFAOYSA-N 297.402 3.671 30 20 CHED C=CCCCCCN(C)C(=O)CCc1ccccc1OC 606814597 NDQCWSXCRJSRSH-UHFFFAOYSA-N 289.419 3.833 30 20 CHED C[C@@H](SC[C@H]1CCCOC1)c1ccc(C#N)cc1 532879571 ZQZNEVVRLPMCGN-OCCSQVGLSA-N 261.390 3.779 30 20 CHED C=CCn1c(SCC(=O)C2CCC2)nc2ccccc21 446067117 DNNHRMXIGILVTJ-UHFFFAOYSA-N 286.400 3.684 30 20 CHED CC(C)c1cnc(CNCc2ccc(C#N)c(F)c2)s1 449737308 RLBUQFQIWFECJT-UHFFFAOYSA-N 289.379 3.567 30 20 CHED C=CCC(CC=C)c1nc(Cn2cnc3ccccc32)no1 357476123 SRWAXUWGICWROP-UHFFFAOYSA-N 294.358 3.703 30 20 CHED C=CCCC(=O)N(Cc1ccccn1)Cc1ccccc1C 352049733 RYTHJIXOXRGCMY-UHFFFAOYSA-N 294.398 3.885 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 446096004 SONWMKDPWIKQRY-XIRDDKMYSA-N 286.419 3.662 30 20 CHED C=CCCOCCCCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 539366823 SYGKGBUJTOLOAL-LUKYLMHMSA-N 293.451 3.690 30 20 CHED CC(C)(CN[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 442708007 IGTLCRFMIFTLFM-DOMZBBRYSA-N 276.811 3.899 30 20 CHED C=CCCCCCSc1ccc(S(C)(=O)=O)cc1 447306602 UBBVSHTWZRTZJA-UHFFFAOYSA-N 284.446 3.929 30 20 CHED CC(C)(C#N)CCSc1nncc2ccccc12 351555499 AVLZCRYPRIXZLT-UHFFFAOYSA-N 257.362 3.662 30 20 CHED CCN(CCC#N)Cc1cc2c(C)c(C)ccc2[nH]1 352011007 MZMGEQYCJDEMPC-UHFFFAOYSA-N 255.365 3.520 30 20 CHED Cc1cc(NC(=O)C2(C#N)CC(C)C2)cc(C(F)(F)F)c1 617127170 ZIHJDHNLHJOPLG-UHFFFAOYSA-N 296.292 3.892 30 20 CHED Cc1ccccc1/C=N/OCc1ccn(C2CCCC2)n1 268599550 OSIWVJZCSRALJQ-LDADJPATSA-N 283.375 3.857 30 20 CHED C=C[C@@H](C)NC(=O)Nc1c(F)cccc1SCC 353937943 PQODERWEQHRLSF-SECBINFHSA-N 268.357 3.634 30 20 CHED C=CCN(C(=O)c1cccc(OCC=C(C)C)c1)C1CC1 536820147 HFISERJIGIAKGJ-UHFFFAOYSA-N 285.387 3.822 30 20 CHED Cc1ccoc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 538727795 XVLVAWRTXBRDPG-SJORKVTESA-N 280.371 3.860 30 20 CHED CCSCc1cccc(NC(=O)C2(C#N)CC(C)C2)c1 531824687 OTVYJWQFQKRDED-UHFFFAOYSA-N 288.416 3.818 30 20 CHED C=C(C)CCNC(=O)CCCCC(=O)c1ccc(F)cc1 452715468 CWOOYEGFHMACBF-UHFFFAOYSA-N 291.366 3.651 30 20 CHED N#Cc1c(F)cccc1CSC1(CO)CCCCC1 451053511 DMCXBVLZLQHVIH-UHFFFAOYSA-N 279.380 3.626 30 20 CHED CO[C@@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)CC1 364881279 XRANYSIWDCPKTD-GFCCVEGCSA-N 298.308 3.582 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1cccc(C2CC2)c1 455115369 IPNMDMAQYPAEGD-CYBMUJFWSA-N 272.392 3.843 30 20 CHED CC(C)(CC#N)CNC(=O)Cc1cc(Cl)ccc1Cl 457995221 ZOTLZOLSTQGCNS-UHFFFAOYSA-N 299.201 3.592 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc4cnccc4c3)nc2c1 618622441 SQUXRNIRPNFATO-UHFFFAOYSA-N 270.295 3.650 30 20 CHED CC#CCN(C)C(=O)Nc1cc(Cl)ccc1SCC 454754277 ZVWPIHCGUUWKMZ-UHFFFAOYSA-N 296.823 3.939 30 20 CHED C=CCN(C(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 455703228 MCYMRMRIWSLYSR-UHFFFAOYSA-N 289.766 3.588 30 20 CHED C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 450179296 VVRAJRSFYHRYPI-HNNXBMFYSA-N 271.404 3.851 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2cccc(CC#N)c2)CC1 455902744 HLDUQAOFMZGJDA-HIFRSBDPSA-N 285.391 3.843 30 20 CHED CC(C)[C@@H](NCC1(C#N)CCC1)c1ccc(F)cc1F 450689288 XNJNUQCJCBAGCR-OAHLLOKOSA-N 278.346 3.945 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 610713069 XWBLCRIDVILLLP-ZBFHGGJFSA-N 274.339 3.509 30 20 CHED CO[C@@H]1C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1(C)C 360649023 SZEKEQHGLDHXQS-KZNAEPCWSA-N 298.430 3.729 30 20 CHED Cc1cc(NC(=O)NCC(C)(C)C#N)ccc1C(F)(F)F 611621231 DZOPIOZJYPAEDD-UHFFFAOYSA-N 299.296 3.685 30 20 CHED CC[C@@H](C(=O)N(C1CC1)C1(C#N)CCC1)c1ccccc1 362175902 AXYZONWFVJSNDY-MRXNPFEDSA-N 282.387 3.617 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCc2cc(F)ccc21 615285670 HAWLFUZISAWIHB-HNNXBMFYSA-N 275.367 3.574 30 20 CHED Cc1nc(-c2nc(CCC3CCCCC3)no2)ccc1C#N 546345200 QZHUPEQDDUUYJZ-UHFFFAOYSA-N 296.374 3.825 30 20 CHED N#Cc1ccc(N2CCC=C(F)C2)c(C(F)(F)F)c1 362640394 BEIXLNZNYXBFEC-UHFFFAOYSA-N 270.229 3.641 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(-c2nc(C)co2)c1 454958279 ZFOVGFQNUWVOMA-UHFFFAOYSA-N 299.374 3.984 30 20 CHED C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CCC(C)(C)C#N)C1 368267529 QCFDZSIOSHEYMX-QZWWFDLISA-N 292.467 3.578 30 20 CHED CC(C)[C@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@H]1C(C)C 454206866 SQSDWBWZHNGKQT-CVEARBPZSA-N 285.391 3.703 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)C2(C#N)CCCCC2)C1 457001879 MNSXANIMDJADIS-KKUMJFAQSA-N 276.424 3.791 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccnc(F)c2F)CCCC1(C)C 279953878 HTICEFRTOBCDIB-LBPRGKRZSA-N 294.345 3.567 30 20 CHED Cc1ccc([C@H](c2noc([C@@]3(C#N)C[C@H]3C)n2)C(C)C)cc1 453187666 ZHABTTOKDOANHX-DDUZABMNSA-N 295.386 3.967 30 20 CHED C=CCC1(NC(=O)CC[C@H]2CC[C@@H](C)O2)CCCCC1 456371300 SKGQEMUVGMCDKR-HUUCEWRRSA-N 279.424 3.729 30 20 CHED C=CCN(Cc1cnc(C2CC2)nc1)CC1CCCCC1 459342054 GTOGYCRJVNPSSG-UHFFFAOYSA-N 285.435 3.922 30 20 CHED CCN(Cc1ccccc1Cl)C(=O)CC(C)(C)C#N 278173396 BXGAPQNVLOOBGF-UHFFFAOYSA-N 278.783 3.628 30 20 CHED C=CC[C@H]1N(C[C@H]2C[C@H]3CC[C@H]2O3)CCCC1(C)C 450863132 GLCXLLHEQJPNLE-KLHDSHLOSA-N 263.425 3.621 30 20 CHED C=CCCc1nc(-c2ccc(OCCC)c(OC)c2)no1 546232829 KTFIAXFHXVCAHY-UHFFFAOYSA-N 288.347 3.653 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](c1ccccc1)C1CC1 454199955 LFWHPSHCUSQFPK-HNNXBMFYSA-N 272.392 3.649 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1ccc(F)cc1F)OCC 270144586 SXLIOCRPKGFUDO-ABAIWWIYSA-N 297.345 3.513 30 20 CHED C=CCC1(C(=O)Nc2cccc(OC)c2C)CCC1 628699910 GYBWOSMNVQHJQB-UHFFFAOYSA-N 259.349 3.689 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc2c1OCC2(C)C 468765026 AUCZVASEPXUTFC-CYBMUJFWSA-N 285.387 3.537 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 467733640 XWCGMGDCAYNYQA-SDADXPQNSA-N 261.409 3.696 30 20 CHED N#Cc1cccc(NC(=O)NCCC2=CCCCCC2)c1 464413964 GGVARYPSQHLKSU-UHFFFAOYSA-N 283.375 3.960 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Cc1ccccc1C 627623142 QCCCEDPCWGTGGU-AWEZNQCLSA-N 259.393 3.502 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)c1cccs1)c1cccc(C#N)c1 461972011 NTGORHGMYDETIA-QWHCGFSZSA-N 298.411 3.943 30 20 CHED C=CCN(C(=O)c1cc(C)c(OC)c(C)c1)C(C)(C)C 622945189 WNDPWMABCPVIPC-UHFFFAOYSA-N 275.392 3.739 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1scc(C)c1C#N 288847500 PCBIJLZEHFNAJT-SCZZXKLOSA-N 250.367 3.549 30 20 CHED CCOc1c(Cl)cccc1CN(C)CC(C)(C)C#N 552316633 HPTAIJYGTQHCON-UHFFFAOYSA-N 280.799 3.720 30 20 CHED N#C[C@@H](Nc1cccc2c1OCCC2=O)C1CCCCC1 371644436 BIUIBVRPFIKQRF-OAHLLOKOSA-N 284.359 3.536 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(OC)c(C)c1 280904580 RINKRNXALLZPNO-LESCRADOSA-N 289.419 3.635 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1c(C)cccc1C 467096574 ZIYOGTWSVOHYPZ-AWEZNQCLSA-N 260.381 3.582 30 20 CHED C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1c1ccccc1 559105861 IRHVUKPYDCDGOV-AHCXZYCDSA-N 268.404 3.804 30 20 CHED Cc1cccc2c1CC[C@H]2NCCc1cccc(C#N)c1 467439517 VVOPANMIYXFAAS-LJQANCHMSA-N 276.383 3.686 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N1CCc2ccc(C#N)cc21 285764321 MRAFFQKDCIYLMQ-UHFFFAOYSA-N 294.354 3.786 30 20 CHED C#Cc1ccc(CN(C)Cc2ccc(OC)c(C)c2)cc1 809560620 NJQLWTCLINCLMU-UHFFFAOYSA-N 279.383 3.617 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F 556203352 KZNKNEKRGHBLPB-GWCFXTLKSA-N 279.330 3.539 30 20 CHED C[C@H](NCCCc1ccccc1F)c1ccc(C#N)cc1 479512300 RGURWBOVIZDGAY-AWEZNQCLSA-N 282.362 3.981 30 20 CHED CC(C)OCc1ccccc1CNc1ncc(C#N)cc1F 556842615 BOWQKOZEGPFXKA-UHFFFAOYSA-N 299.349 3.629 30 20 CHED C=C[C@@H](CC(=O)N(CC(C)(C)C)OC)c1ccccc1 804582088 NOJZVNDAEBQYHJ-AWEZNQCLSA-N 275.392 3.782 30 20 CHED Cl/C=C\CON=Cc1cc(Br)cs1 388226724 KPROVHCIDIPJAT-QEXYBXAASA-N 280.574 3.614 30 20 CHED CC(C)Oc1ccc(NCCC2CCOCC2)cc1C#N 297762863 OUCJLEDMWDGROQ-UHFFFAOYSA-N 288.391 3.574 30 20 CHED C#C[C@H](C)NC/C(C)=C\c1ccccc1C(F)(F)F 809683552 FDYAVMANANLQDI-MMRAYRKESA-N 267.294 3.720 30 20 CHED C=CCC[C@H](NCCOc1ccccc1)c1ccco1 562854336 JZNJVZFGTZHIRP-INIZCTEOSA-N 271.360 3.956 30 20 CHED CC(C)c1c(NC(=O)CCCC#N)cnn1-c1ccccc1 293296710 MTGIKFKBORMYSY-UHFFFAOYSA-N 296.374 3.628 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C)c(OC)cc1Cl 290060925 IOOUFDQZOJDUEZ-CQSZACIVSA-N 280.755 3.535 30 20 CHED CC(Cc1cccs1)=NNc1nccnc1C1CCC1 807990876 DLNRDTKDWOKDQT-UHFFFAOYSA-N 286.404 3.836 30 20 CHED N#C[C@H]1CC[C@@H](SCc2ccc([N+](=O)[O-])cc2)C1 295961598 JMYPAQRRJIOIHB-WCQYABFASA-N 262.334 3.520 30 20 CHED C=CCCCCCCNC(=O)c1cn(C)nc1C(C)(C)C 805218477 AHVWWLOZQHPLNX-UHFFFAOYSA-N 291.439 3.584 30 20 CHED N#Cc1cc(CNc2ccc([C@@H]3CCOC3)cc2)ccc1F 297600868 HZOCEMJTUFVTFW-OAHLLOKOSA-N 296.345 3.813 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3coc(C(C)C)n3)cn2c1 806557613 GAVMSSFGSXLAPI-WAYWQWQTSA-N 295.342 3.650 30 20 CHED C#CCCCCN[C@@H]1CCCc2nc(Cl)ccc21 296657436 DXQKFSURCKZETF-CYBMUJFWSA-N 262.784 3.506 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)CCc1cccs1 297743271 KTLVEOPTTXTFAB-UHFFFAOYSA-N 296.395 3.532 30 20 CHED CCCCCCCCC(=O)N[C@]1(CCC)CCOC1 804536977 HRWSBCJMODUJKZ-MRXNPFEDSA-N 269.429 3.812 30 20 CHED Cc1oc2ccc(NC(=O)[C@]3(C#N)C[C@@H]3C)cc2c1C 565403840 XCWADBMPYSYGLC-FVMDXXJSSA-N 268.316 3.538 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncccc1CCCCOC 297891716 VNTHBEOZYLAANC-UHFFFAOYSA-N 290.407 3.592 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2ccc(C#N)cn2)C1 568407821 TZNFRNKMEOVYDW-SCLBCKFNSA-N 295.361 3.675 30 20 CHED C=CCOCCCS[C@@H](C)c1ccccc1[N+](=O)[O-] 479623737 AGYDLEFNAYIVKV-LBPRGKRZSA-N 281.377 3.982 30 20 CHED CC(C)CC1(C)CCN(c2cccc(C#N)n2)CC1 567019001 VIHXYSBZDKIIFJ-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C=CCC(C)(C)c1noc(-c2cc3nccnc3cc2F)n1 560008711 YJCCKCKKQWAJCY-UHFFFAOYSA-N 298.321 3.673 30 20 CHED C[C@H](c1cccs1)[S@](=O)Cc1ccccc1C#N 802758159 JEFPKJXOPMNOST-ADLMAVQZSA-N 275.398 3.630 30 20 CHED Cc1nc(N2CCC[C@](C)(c3ccccc3)C2)ccc1C#N 488060833 ATJKJNATNQINAV-IBGZPJMESA-N 291.398 3.820 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCSc1ccccc1F 488841759 PXXRBMIVCOTQMZ-CYBMUJFWSA-N 293.407 3.875 30 20 CHED N#Cc1cccc(NN=C2Cc3[nH]c4ccccc4c3C2)c1 814787339 YYZFZPWYGPLHKB-UHFFFAOYSA-N 286.338 3.606 30 20 CHED C=C(C)CN(C)C(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 646451228 LQPKVXNBSGFSPO-AWEZNQCLSA-N 298.390 3.532 30 20 CHED COc1ccc(C)cc1CSc1ccc(C#N)c(C)n1 488085871 SSYUNGJVXMFVFX-UHFFFAOYSA-N 284.384 3.871 30 20 CHED C[C@@H](c1ccc(F)cc1)N1CCC(CCC#N)CC1 566172435 DUJGVACOSHFGHO-ZDUSSCGKSA-N 260.356 3.902 30 20 CHED C=C(C)CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1 488569564 DEKQFSOQGXNOPV-GFCCVEGCSA-N 286.297 3.555 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccccc1C(F)(F)F 488847578 ZWXJHABPISSYEO-CYBMUJFWSA-N 297.320 3.815 30 20 CHED COc1ccc(NN=CCC(C)(C)SC)cc1 814884218 RRRNXWIVJGDUKC-UHFFFAOYSA-N 252.383 3.625 30 20 CHED COc1cccc(CCCN(CCC#N)CCC(C)C)c1 484901554 TXVVMPYLPJSQFB-UHFFFAOYSA-N 288.435 3.890 30 20 CHED Cc1cc(/C=C2\Cc3ccc(C#N)cc3C2=O)ccc1C#N 811693436 IKNXCZQXPNKCPE-REZTVBANSA-N 284.318 3.561 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2c(F)cccc2n1CC 489428041 DKYXLYLNVDWUEL-CYBMUJFWSA-N 287.382 3.736 30 20 CHED C=CCCCS(=O)(=O)N(C)c1cccc(C(C)C)c1 489113864 GALNBGBTEPYPJD-UHFFFAOYSA-N 281.421 3.542 30 20 CHED Cc1cccc([C@H]2CCN(c3ccc(C#N)c(C)n3)C2)c1 488125737 LXMORSQYFVDYCL-KRWDZBQOSA-N 277.371 3.564 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC=Cc2ccccc21 813208588 GOSBPNJXZFCVIG-UHFFFAOYSA-N 287.362 3.661 30 20 CHED CCCCCCCC(=O)N1CCC(F)(F)[C@H](C)C1 811601788 PPZMSXJWYXJKQU-GFCCVEGCSA-N 261.356 3.851 30 20 CHED N#CCCCOc1cccc(NC/C=C\c2ccncc2)c1 486983161 CWNUOFSYVLHPNY-PLNGDYQASA-N 293.370 3.889 30 20 CHED CC(C)(C)[C@H](NC[C@@H](C#N)CCC#N)c1ccccc1 572834563 QXYKHWKFYDDUDK-GDBMZVCRSA-N 269.392 3.807 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@]2(C#N)CC2(C)C)cc1 484912259 QEANPKQPZIGTLP-UGSOOPFHSA-N 284.403 3.551 30 20 CHED CC(C)[C@H]1N(c2cccc(F)c2C#N)CC12CCC2 488502807 UJHZEXZHNXWHQN-OAHLLOKOSA-N 258.340 3.712 30 20 CHED C=C[C@H](CC(=O)N1CCCC(F)(F)C1)c1ccccc1 650316791 RHMIYQWSFWOGOG-CYBMUJFWSA-N 279.330 3.604 30 20 CHED CCCCCC[C@@](C)(CCC)C(=O)N1CC(C#N)C1 817555048 UKXVZKCEXHOOHN-MRXNPFEDSA-N 264.413 3.745 30 20 CHED Cc1[nH]c(=N[C@@H](c2ccc(F)cc2)C2CCC2)ccc1C#N 488063892 AINRUIBRSAKEEL-GOSISDBHSA-N 295.361 3.776 30 20 CHED C=CCCC(CCC)=NNc1ccc(S(C)(=O)=O)cc1 814802659 QPLAJYZPQSSLBO-UHFFFAOYSA-N 294.420 3.624 30 20 CHED CC(C)(C)CCCN[C@@H]1CCc2ccc(C#N)cc21 575624384 CWQUJNCHGCBUEC-MRXNPFEDSA-N 256.393 3.961 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCOc1cccc(C)c1C 489647830 UXBMTKKPSWNWDG-SFHVURJKSA-N 289.419 3.791 30 20 CHED C=CC[C@@H](CC)NC[C@H](O)c1ccccc1C(F)(F)F 819283357 JKYHTSCYGIAPFE-RISCZKNCSA-N 287.325 3.683 30 20 CHED C=CCC[C@@H](C)NCc1nc2cccc(Cl)c2n1C 480698250 NEBRBFJEWPAFME-LLVKDONJSA-N 277.799 3.671 30 20 CHED O=C1/C(=C/c2cccc(C3CC3)c2)CCc2nc(O)ccc21 817345408 DOFSKBHYBPBXOT-RVDMUPIBSA-N 291.350 3.877 30 20 CHED Cc1c(NN=Cc2ccc(Cl)o2)cccc1[N+](=O)[O-] 814834057 OYJKGWGGFHEHMN-UHFFFAOYSA-N 279.683 3.596 30 20 CHED C=CC(C)(C)C(=O)Nc1nc2cc(C)cc(C)c2o1 659593740 NOPXIZUEYWDBSX-UHFFFAOYSA-N 258.321 3.595 30 20 CHED C[C@@H](C=NNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 814806092 PFHRCXXWRMIBLQ-NSHDSACASA-N 276.340 3.604 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CS[C@H](C(C)C)C1 488558742 LQZHKTFCPMJVAG-BBRMVZONSA-N 290.432 3.899 30 20 CHED CC(C)CCC(=O)CSc1cccc(F)c1C#N 579973109 WCPIKYPCOUTDQA-UHFFFAOYSA-N 265.353 3.795 30 20 CHED CC(=NN=C1CCC2(CCCC2)CC1)c1cnccn1 811643142 VDGWEKJXXPVKGA-UHFFFAOYSA-N 270.380 3.776 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)Oc2ccccc2C)CC1 487236774 MRDCZNFQMHGJTO-INIZCTEOSA-N 287.403 3.577 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 481304450 DFIALILBJUOREK-XHSDSOJGSA-N 281.440 3.785 30 20 CHED C=C(C)COc1cccc(NC(=S)N[C@@H](C)CC)c1 727282617 CKSBYXDCZMDQMN-LBPRGKRZSA-N 278.421 3.726 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 572539944 QDKRPTUSJVDCOI-SFHVURJKSA-N 291.398 3.926 30 20 CHED CCOCC(C)=NNc1ccc(Br)cc1C 728432868 GBRRLXZBJUDXNR-UHFFFAOYSA-N 285.185 3.582 30 20 CHED C=C(Cl)COC(=O)Cc1ccccc1C(F)(F)F 729760782 IEOHUZSNVSPQOV-UHFFFAOYSA-N 278.657 3.544 30 20 CHED C#CC(C)(C)NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 490891299 COCQQXPKXKZBJP-CVEARBPZSA-N 293.451 3.670 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(F)ccc1F 664471621 SHVUXKVECYZKAR-UHFFFAOYSA-N 268.307 3.831 30 20 CHED CCC[C@H](CCc1ccccc1)NC(=O)C#CC(C)C 828621171 IRFVHJRVSJYPMH-QGZVFWFLSA-N 271.404 3.564 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cn1 728798882 MSMHSQZEZKGZAT-UHFFFAOYSA-N 278.355 3.613 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccc(C(C)C)cc1 729935528 COYGFVLJAWJEBF-UHFFFAOYSA-N 268.364 3.745 30 20 CHED CC#CCCNC(=O)Nc1ccccc1SC(C)C 497686727 KRPQXDPFXIPFOO-UHFFFAOYSA-N 276.405 3.722 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(SC)ccc1Cl 824478137 JDNNKNAWMPRBNI-SECBINFHSA-N 282.796 3.547 30 20 CHED C=C[C@H](CC)CC(=O)Nc1n[nH]c(-c2ccc(C)o2)c1C 822519726 MVIPAAZHTMRLSX-GFCCVEGCSA-N 287.363 3.827 30 20 CHED C=C(C)CN(C)[C@@H](CO)c1cccc(Cl)c1Cl 661639129 OFOKSDDBMDYWPW-LBPRGKRZSA-N 274.191 3.535 30 20 CHED C=CC[C@H]1CCCN(Cc2sccc2OC)C1 668493554 OYLLDVIDAHBMSK-LBPRGKRZSA-N 251.395 3.545 30 20 CHED N#Cc1ccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)s1 588450323 YOLNJYPHWSRSJW-LFYBBSHMSA-N 289.262 3.514 30 20 CHED C[C@@H](Nc1cc(C#N)ncn1)c1cccc2ccccc12 582882645 JPXQEVKYSWRYHN-GFCCVEGCSA-N 274.327 3.675 30 20 CHED C=CCC(CC=C)C(=O)N(CC)c1ccccc1C(=O)O 825659806 GNDDEILLCLJAJG-UHFFFAOYSA-N 287.359 3.506 30 20 CHED S=C(NN=C1CCC[C@H](C2CC2)C1)Nc1ccccc1 737417564 MDUQHPNLFMPQCM-ZDUSSCGKSA-N 287.432 3.929 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C)c(C(F)(F)F)c1 736954313 SCNDHHJVTFEMHP-UHFFFAOYSA-N 292.688 3.888 30 20 CHED COc1cccc(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)c1 732766513 SKAPJZHCMNVBOP-NHYWBVRUSA-N 270.332 3.858 30 20 CHED Clc1ccccc1CCCON=C1CCCOCC1 588426204 GOLHHGWITYKKOI-UHFFFAOYSA-N 281.783 3.846 30 20 CHED COc1cc(C#N)ccc1-c1nc(C2CCCCC2)no1 901910304 GSUKAHBIRVLNLD-UHFFFAOYSA-N 283.331 3.665 30 20 CHED C=CC(C)(C)COC(=O)c1cc(NC(C)=O)ccc1Cl 835723793 BNUFIGJANMXBQB-UHFFFAOYSA-N 295.766 3.667 30 20 CHED O=C(C#CC1CC1)N1CCC[C@@H]1c1cccc2ccccc12 837360242 BHSQFLJUKPVSNM-LJQANCHMSA-N 289.378 3.917 30 20 CHED COC(=O)c1cccc(NN=C2CCC(C)(C)C2)c1F 835019646 ZXLBDFVYTPJNPV-UHFFFAOYSA-N 278.327 3.590 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(Cl)cc2F)cn1 588542883 XHWCWKRKANPBHY-XQRVVYSFSA-N 278.714 3.592 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1ncc(Cl)n1C)C2=O 834434990 ZBAHYIAMDQWTIJ-VPMLRQHESA-N 286.762 3.765 30 20 CHED C=C(Br)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C 736946553 PSFNBZCNRCMWTC-DGCLKSJQSA-N 298.199 3.912 30 20 CHED CCc1ccccc1NN=Cc1cccc([N+](=O)[O-])c1 915051795 SCZNSNVTGFPKTO-UHFFFAOYSA-N 269.304 3.603 30 20 CHED C=C(CN[C@H](C)CC(=O)Nc1ccccc1)c1ccccc1 674047142 FQBNQFSVOCCHSK-MRXNPFEDSA-N 294.398 3.707 30 20 CHED CCOc1ccc(NN=C2CCCc3cc(N)ccc32)cc1 834983314 NFILKFNASSEXNB-UHFFFAOYSA-N 295.386 3.820 30 20 CHED CSCCc1ccc(NC(=O)C#CC(C)(C)C)cc1 837390571 HJDGZUWPWZGJEB-UHFFFAOYSA-N 275.417 3.580 30 20 CHED C=C(CNC(=O)Nc1cccc(F)c1)c1ccccc1 672598682 VEVCWPASKCAIKA-UHFFFAOYSA-N 270.307 3.661 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccn(-c2ccccc2)n1 678883577 YTGBSPKYDRKHKX-CQSZACIVSA-N 298.390 3.739 30 20 CHED Clc1ccc(NN=Cc2cnc3ccccc3n2)cc1 744516321 JVLOPYFTGFCHCE-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CN(C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)C1(C#N)CCC1 596910886 KNEGBFVRVFAZMX-DLBZAZTESA-N 296.414 3.550 30 20 CHED CCc1nnc(S[C@H](C)c2ccc(C#N)cc2)s1 594913817 HLHZRAOIMHNTIS-SECBINFHSA-N 275.402 3.825 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(OCCC)c(OC)c1 839537999 CXRHHQUPXNDLQO-LBPRGKRZSA-N 283.799 3.887 30 20 CHED C#CCCCNC(=O)Nc1ccc(OCCC(C)C)cc1 745902428 KNDYPSDKSWBMPF-UHFFFAOYSA-N 288.391 3.646 30 20 CHED C=CCOCC(=O)Nc1cccc(Sc2ccccc2)c1 594527930 OVPSXGSTCITBRX-UHFFFAOYSA-N 299.395 3.979 30 20 CHED FC(F)(F)c1ccc(NN=Cc2ccco2)cc1 746577454 FVFXDGBXJWSECG-UHFFFAOYSA-N 254.211 3.744 30 20 CHED CCC[C@H](OC)c1noc(CC2(C#N)CCCCC2)n1 596600954 DLSGQEMTCRMGIC-LBPRGKRZSA-N 277.368 3.574 30 20 CHED C[C@@H]1CCCCC1=NNc1nncc2ccccc12 915913973 GYRVASNRSBQAHZ-LLVKDONJSA-N 254.337 3.608 30 20 CHED C=CCC1(C(=O)N[C@@H](C#N)CC(C)C)CCCCC1 590987783 FHGZHJSBRMXSCS-CQSZACIVSA-N 262.397 3.567 30 20 CHED C[C@@H](CN1CCC[C@@](C)(C#N)C1)c1cc(F)cc(F)c1 590648736 CGUAKAHVNDVGPO-LRDDRELGSA-N 278.346 3.694 30 20 CHED CCCCCCCCCC(=O)NCc1nccc(C)n1 911011793 ITRVDGXMVIYYMB-UHFFFAOYSA-N 277.412 3.542 30 20 CHED CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1CCC1CCCC1 598593103 PVSQILKKNGZQIY-IRXDYDNUSA-N 292.467 3.722 30 20 CHED C=CCCSCCNC(=O)[C@@H](c1ccccc1)C1CC1 597968340 FGEPEWPVCLRYHY-INIZCTEOSA-N 289.444 3.606 30 20 CHED CCCCCC1=CCCC1=NN=C(C)c1cnccn1 745202321 WYNLOBSVFWHKTJ-UHFFFAOYSA-N 270.380 3.942 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc(C)c2ccccc12 594082782 CQQLEXFCPPAGJU-CYBMUJFWSA-N 266.344 3.522 30 20 CHED CCC1(C/N=C/c2cc(Cl)ccc2O)CCOCC1 745976474 IOPQJYLKHZZAEF-LICLKQGHSA-N 281.783 3.671 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCC(F)(F)CC2)c1 842530822 UAZOHCKXBVIRJJ-UHFFFAOYSA-N 284.697 3.584 30 20 CHED N#Cc1ccc(CCN2CCC[C@H]2c2ccccc2)cc1 595288416 IBTOXSXLBVFOJF-IBGZPJMESA-N 276.383 3.938 30 20 CHED COc1ccc(CNN=C2CCCCCCC2)cc1 917548380 ICGZCFDFUKYABD-UHFFFAOYSA-N 260.381 3.885 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccnn2CC2CC2)c1 849242413 FTLJIJNIUZYLPB-BQYQJAHWSA-N 280.371 3.806 30 20 CHED N#CC1(CCN2CCCC(F)(F)CC2)CCCCC1 599553305 ZFWYYOLVACUEKN-UHFFFAOYSA-N 270.367 3.972 30 20 CHED N#Cc1cccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)c1 598150382 ALEKSHTVYYOEPX-QGZVFWFLSA-N 282.387 3.601 30 20 CHED C=CCCC(C)(C)NC(=O)CCSCc1ccccn1 598522376 PLJOBLGFSWKWOT-UHFFFAOYSA-N 292.448 3.566 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cnc2c(C)cccn12 741468081 SSYKRWVNTMNVOC-AATRIKPKSA-N 282.368 3.909 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccnn1CC(C)C 843267426 BRUKFVVIGGXFKR-PLNGDYQASA-N 290.388 3.505 30 20 CHED C[C@H](CC#N)NCc1ccc(-c2cccs2)cc1 594710911 JUQTVTMUWUDLOA-GFCCVEGCSA-N 256.374 3.807 30 20 CHED C=C(C)CCOC(=O)Cc1coc2cc(F)ccc12 749041945 WFQJTUXZZILAQW-UHFFFAOYSA-N 262.280 3.624 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@@H]3CCC[C@H]32)c1 741864714 NRTWSQYFOQPRMB-GOEBONIOSA-N 284.428 3.629 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)C2CCCCC2)c1 743084266 KUQNBKGTZZTLRL-ZDUSSCGKSA-N 270.376 3.758 30 20 CHED CCCCCCCCCNC(=O)CC1(O)CCCCC1 746116296 JYCWAEUXRCNKQF-UHFFFAOYSA-N 283.456 3.939 30 20 CHED CC(=NN(C)C[C@@H](C)O)c1ccc(Oc2ccccc2)cc1 841656473 UKXDRXWRIGUJNF-CQSZACIVSA-N 298.386 3.516 30 20 CHED C#CC1CCN(C(=O)[C@H](C)CCCc2ccccc2)CC1 843705319 BCGCUTKGCRYJII-MRXNPFEDSA-N 283.415 3.517 30 20 CHED C=CCC1(C(=O)N2CCc3ccc(C)cc32)CCC1 682887452 VBZRTGXIDSMRJY-UHFFFAOYSA-N 255.361 3.631 30 20 CHED Clc1ccc(C=NO[C@@H]2CCCCO2)c(Cl)c1 755817966 OJHOQZJTHGMWSC-GFCCVEGCSA-N 274.147 3.871 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H](Cn1ccnc1)c1ccccc1 926864768 OMRMNTPFKDAOLF-WBVHZDCISA-N 296.418 3.542 30 20 CHED COc1cc(F)cc(NN=Cc2cc(F)ccc2F)c1 759212946 QLENFGHXORWDNN-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CCC1(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CC1 750705133 GDCQMZUPNOTQQR-SNVBAGLBSA-N 288.347 3.802 30 20 CHED CC(C)[C@H](CC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 928224275 JIQLOGKVBJGCJB-RDJZCZTQSA-N 284.403 3.578 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc2ccccc2c1O 755821881 INZRLCMXZKYBIP-INIZCTEOSA-N 285.343 3.813 30 20 CHED CCCCCCCCC/C=C\C(=O)N[C@H]1CCOC1 752419916 VUZHKGARWXYXGP-WOLCWHLNSA-N 267.413 3.588 30 20 CHED C=CC(C)(C)CCOC(=O)/C=C/c1ccc(C)nc1 851300008 IUGBFYLIDNVOOK-CMDGGOBGSA-N 259.349 3.549 30 20 CHED C#CC[C@@H](NC(=O)N[C@H]1CC[C@H](C)CC1)c1ccccc1 757064697 MQHXQWCXGFBXAY-DJIMGWMZSA-N 284.403 3.629 30 20 CHED COCc1cccc(/C=C/C(=O)c2cc(C)ccc2O)c1 757469051 YUKIIWJCHKLISK-VQHVLOKHSA-N 282.339 3.743 30 20 CHED COc1ccc(C(C)=NNc2cccc(F)c2)cc1 920384097 OKUZCVBMENTOCG-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C#CC[C@@H](NC(=O)CSc1ccccc1)c1ccccc1 757577452 IBLHWECMLIFERX-QGZVFWFLSA-N 295.407 3.660 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1ccc(OC)cc1 750926418 XHAGCNRZSOPDDF-UHFFFAOYSA-N 284.359 3.930 30 20 CHED Cc1cccc2cc(C(=O)N3CCC[C@H](C#N)C3)sc12 928215091 HPNHFPYUYWQXPJ-GFCCVEGCSA-N 284.384 3.586 30 20 CHED C=CCCC(C)(C)NCc1cnn(CC2CCC2)c1 922266256 ANHYHMZENURFJA-UHFFFAOYSA-N 261.413 3.518 30 20 CHED C[C@@H](NN=Cc1ccc(-n2ccnc2)cc1)c1ccccc1 920383190 TXWUGGZSFVOHTL-OAHLLOKOSA-N 290.370 3.557 30 20 CHED C=CCNC(=S)Nc1cc(Cl)c(F)c(Cl)c1 754858884 UEDYWIALOHGDRW-UHFFFAOYSA-N 279.167 3.605 30 20 CHED COc1ccc(NN=C2CCc3c(F)cc(F)cc32)cc1 752734645 JSQQDDIVGZNSBK-UHFFFAOYSA-N 288.297 3.736 30 20 CHED C#CCCCC(=O)O[C@@H](C)C(=O)c1ccc(C(C)C)cc1 759190991 DQHPTGPAGLOREG-AWEZNQCLSA-N 286.371 3.728 30 20 CHED CCCCCCCCNC(=O)Nc1cnn(CCC)c1 754971087 CNFPZBSWLLBOMM-UHFFFAOYSA-N 280.416 3.775 30 20 CHED C#CC[C@H](NCc1cccnc1Cl)c1ccccc1 756997577 YCLYOIHZSMWIRI-HNNXBMFYSA-N 270.763 3.589 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@H](OC)C1 756093304 FQNXOJSIMJFHSX-HNNXBMFYSA-N 284.444 3.557 30 20 CHED C#CC[C@@H](NC(=O)CC(CC)CC)c1ccccc1 757576473 DGTOBFRCQCABMW-MRXNPFEDSA-N 257.377 3.694 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1ccc(N2CCCC2)cc1 930206264 URKPXSPAZILWKF-HNNXBMFYSA-N 286.419 3.505 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1nc2ccccc2n1C(C)C 933154965 NSJLHTRVGWYOAT-AWEZNQCLSA-N 299.418 3.836 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccccc1)Cc1cc[nH]n1 931825007 XTOTXXJYPUICAN-HNNXBMFYSA-N 297.402 3.541 30 20 CHED Cc1cc(C)c(/C=C\C(=O)OC2(C#N)CCC2)cc1C 762100453 QOALJWBOXPYFJF-WAYWQWQTSA-N 269.344 3.615 30 20 CHED CCCn1cc(Nc2nc(C(C)(C)C)ccc2C#N)cn1 767195125 IIMFNASEMQZLIZ-UHFFFAOYSA-N 283.379 3.601 30 20 CHED C=C1CN(C(=O)Nc2ccccc2COC(C)(C)CC)C1 930821787 IJCOKXNXMDAREB-UHFFFAOYSA-N 288.391 3.796 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)OCc1cc(C#N)ccc1F 769182272 LZBUIGQLMXOQDR-AAEUAGOBSA-N 275.323 3.567 30 20 CHED CCN(CC)c1ccc(C=NOCC(F)(F)F)cc1F 764835565 LLJVIACLOAUISZ-UHFFFAOYSA-N 292.276 3.585 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H](c2c(F)cccc2F)C1 935434976 VCUPQUQSPHSMNL-STQMWFEESA-N 293.357 3.883 30 20 CHED Cc1ccc(C)c(NC(=S)NN=C[C@H](C)CCC#N)c1 765992609 DGLOEUAMGYZIQZ-GFCCVEGCSA-N 288.420 3.516 30 20 CHED CCCn1cc(/C=C/C(=O)c2cccc(C(C)C)c2)nn1 865225942 MPUJHVYIJBEHNO-CMDGGOBGSA-N 283.375 3.708 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccc(C#N)c(Cl)c1 766455219 QUMFDOYXODYUQF-CQSZACIVSA-N 277.755 3.569 30 20 CHED C#CCCOc1ccc(CN[C@H](C)CC(F)(F)F)cc1 766480492 WQHRXMXUHGKABM-GFCCVEGCSA-N 285.309 3.519 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1sccc1O 769794301 RYPIDBBRHIMZNS-UHFFFAOYSA-N 280.780 3.621 30 20 CHED CC#CCCCCOC(=O)/C=C/c1ccc2[nH]ccc2c1 768126585 VZSXPTMSIAVHRG-CSKARUKUSA-N 281.355 3.918 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccc(O)cc1F 764719389 XHSSPBSJLCKPEQ-UHFFFAOYSA-N 292.741 3.699 30 20 CHED CCCCS[C@@H](C)C(=O)Oc1ccc(C#N)c(C)c1 765092398 SWZIJPGNPKJWNL-LBPRGKRZSA-N 277.389 3.694 30 20 CHED Brc1ccsc1C=NOC1CCCC1 764908767 XGGVZJSBOJBVCI-UHFFFAOYSA-N 274.183 3.804 30 20 CHED C=CC(C)(C)CC(=O)N(CC)Cc1ccc(OC)cc1 878152773 FJSZSKZYOLKPPY-UHFFFAOYSA-N 275.392 3.646 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1ccccc1Cl 1116639470 XODWYPALNGBQDM-YPMHNXCESA-N 250.773 3.553 30 20 CHED N#CCc1ccccc1Cc1nc(C2CCCCC2)no1 776799381 GYMXDMIRMYFWCQ-UHFFFAOYSA-N 281.359 3.774 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccc(F)cc1F 773090519 HZFGSXUZXODSOE-UHFFFAOYSA-N 290.317 3.714 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CNCc1cc(C#N)ccc1F 775311520 UOHPOEHOXQPIOP-CZUORRHYSA-N 272.367 3.779 30 20 CHED C[C@H]1CCC[C@@H](COC(=O)c2ccc(C#N)s2)C1 771001719 RZQSVTPDQMYMJS-WDEREUQCSA-N 263.362 3.603 30 20 CHED O=C(O)c1ccccc1NN=Cc1cc(F)cc(Cl)c1 776724733 RLRATODFWGPEIU-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)OCc2cccc(C#N)c2F)C1 774968486 DTRYJDDMRUIDCW-VXGBXAGGSA-N 275.323 3.567 30 20 CHED CC1(c2nnc(-c3ccc(C#N)cc3)o2)CCCCC1 1118430110 MDNAVKJDIPDBPR-UHFFFAOYSA-N 267.332 3.830 30 20 CHED CC1(C)Cc2cccc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)c2O1 1129608626 HASRLAWMXQFORL-TZMCWYRMSA-N 299.370 3.639 30 20 CHED N#C[C@H](C(=O)C=C1CCC1)c1nc2cccc(Cl)c2[nH]1 1123347347 ROSUAPNWNARQNA-SNVBAGLBSA-N 285.734 3.503 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cccc(C(N)=O)c2)cc1 779824920 JYPJHOPHQLVPJE-UHFFFAOYSA-N 295.386 3.529 30 20 CHED C=CCNc1nc(-c2ccc(OCC)cc2)cs1 71793514 NLKKPRNKAXPZQF-UHFFFAOYSA-N 260.362 3.807 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc2c(c1)CCC2 777459703 KQQQENNZIRMYRX-UHFFFAOYSA-N 271.282 3.868 30 20 CHED CCN(C(=O)C(C)=C(C)C)c1ccc(C#N)c(Cl)c1 774147442 JCLGIEJEDGNPIU-UHFFFAOYSA-N 276.767 3.921 30 20 CHED C#CCCCCC(=O)NCCc1ccc(C(C)C)cc1 773189003 GRSYONGUSYKFPP-UHFFFAOYSA-N 271.404 3.662 30 20 CHED CCCC(CC)=NNc1ccc2c(=O)[nH]ccc2c1 789078310 ZQXQDHQFOMXENQ-UHFFFAOYSA-N 257.337 3.506 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(=O)oc2cc(C)c(C)cc12 785996551 DRGRWOKASRHTOI-MRXNPFEDSA-N 297.398 3.950 30 20 CHED Cc1cc(COC(=O)c2cccc3[nH]ccc23)ccc1C#N 782932857 JMBWXTBJPDILFU-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C[C@H](NC(=O)c1ccc(CF)cc1)c1ccc(C#N)cc1 1124915430 KLJZGLITEMFIMI-LBPRGKRZSA-N 282.318 3.519 30 20 CHED N#Cc1ccc(OC(=O)CCCc2ccsc2)cc1 783347277 ZPMOCFYEIPWPAG-UHFFFAOYSA-N 271.341 3.548 30 20 CHED Cc1nn(Cc2ccccc2)c(C)c1C=NOCCC1CC1 783560454 ZYJIIDFDXIGNJV-UHFFFAOYSA-N 297.402 3.699 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1nncc2ccccc12 783790504 HLRDTVZVUPJNPE-OLZOCXBDSA-N 268.364 3.854 30 20 CHED C#CCC1(C(=O)Nc2cc(C(C)=O)ccc2O)CCCCC1 788525088 BKXFFLMKWWANDH-UHFFFAOYSA-N 299.370 3.507 30 20 CHED C#CCC1(C(=O)Nc2ccc(CN(C)C)cc2)CCCCC1 788158031 CEBMCGDEOCMNSB-UHFFFAOYSA-N 298.430 3.661 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(C(C)(C)C)co1 892474327 HMTGYYMQZHTCRT-UHFFFAOYSA-N 250.342 3.513 30 20 CHED O=C1/C(=C/c2ccc3ncccc3c2)Cc2cc(O)ccc21 780187984 IVHKHBPXWCNREF-OQLLNIDSSA-N 287.318 3.763 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1cc(F)cc(F)c1 899362356 RBHHJMBGUBVFRN-SNAWJCMRSA-N 288.297 3.782 30 20 CHED Cc1nc(Cl)cc(NN=C2CC[C@@H](C)C[C@H]2C)n1 783850162 QABHCQSQABJUPA-RKDXNWHRSA-N 266.776 3.662 30 20 CHED CC(=NNc1ncncc1Cl)[C@H](C)c1ccccc1 780274970 HPJPERVKBWVXHU-JTQLQIEISA-N 274.755 3.722 30 20 CHED Cc1cc(COC(=O)c2cccc3cc[nH]c23)ccc1C#N 783914156 GMUYKLRLEYBVNA-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ncccc1Cl 783832485 JSKXBLKXYROYOI-QWRGUYRKSA-N 251.761 3.959 30 20 CHED CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCCC(C)(C)C#N 786344149 LDAPAHVNYCQWQD-ZNMIVQPWSA-N 295.423 3.843 30 20 CHED C#CCC1(C(=O)NC[C@@H](C)C(C)(C)C)CCCCC1 788217636 IFARCLKOCGAGRQ-CQSZACIVSA-N 263.425 3.759 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)C1(C#N)CCCCC1 512767537 RVTAQVQVYQKDTL-AWEZNQCLSA-N 276.424 3.888 30 20 CHED N#Cc1cccc(NN=Cc2sccc2Cl)c1 782187138 VPSQKXHTXXQTQT-UHFFFAOYSA-N 261.737 3.719 30 20 CHED N#C[C@@H](C(=O)C12CCC(CC1)C2)c1nc2ccccc2o1 784833623 POMKBNYVRHQTTH-JKGQDXBKSA-N 280.327 3.584 30 20 CHED C=CCCCCCOC(=O)[C@H](C)Oc1ccc(C#N)cc1 782367710 BEZHRISIPQLRFV-AWEZNQCLSA-N 287.359 3.615 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cnc(C2CC2)s1 93101274 RJLUKFZONYCHHA-UHFFFAOYSA-N 277.437 3.782 30 20 CHED C=C(C)C(C)(C)C(=O)NCCC1CCC(F)(F)CC1 890057098 UBDKMMQGYCTLBP-UHFFFAOYSA-N 273.367 3.921 30 20 CHED CC(=NNCCC(F)(F)F)c1sc(C(C)C)nc1C 794552596 NDZCQUYQDHYPRZ-UHFFFAOYSA-N 293.358 3.841 30 20 CHED C=CCSCCNCc1cc(Cl)cc(Cl)c1O 105462343 TTZBVNAANSZEEP-UHFFFAOYSA-N 292.231 3.708 30 20 CHED C=C1CC(c2noc([C@@H]3CCc4ccccc4O3)n2)C1 896873474 ARGLTEDGHBERMF-AWEZNQCLSA-N 268.316 3.570 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CCC[C@@H](OCC)C1 1205347375 NCNHHFIPMRPTDR-LSDHHAIUSA-N 288.391 3.717 30 20 CHED Cn1ccnc1NN=Cc1cc(-c2ccccc2)cs1 790302314 MJXQEJDHCCTOSD-UHFFFAOYSA-N 282.372 3.595 30 20 CHED Cc1nc2cc(NC(=O)c3cc(C#N)oc3C)ccc2s1 797977791 BYGVHMGDLDJVNU-UHFFFAOYSA-N 297.339 3.630 30 20 CHED Cc1cc(N=Cc2ccc(O)c(O)c2O)cc(C)c1Cl 799742635 CXBIOTZAGHNPGD-UHFFFAOYSA-N 291.734 3.824 30 20 CHED N#Cc1ccccc1OCc1ccc(Cl)nc1Cl 194357315 OUPWUIBGQFWQID-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CC(C)c1occc1C(=O)OCc1ccccc1C#N 796391312 VFKIIXOLCMWVKL-UHFFFAOYSA-N 269.300 3.632 30 20 CHED CCCCCCCCC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 791836342 RGLZJRJSBMDZAG-GOEBONIOSA-N 281.440 3.763 30 20 CHED CC1(CNN=Cc2ccc(F)cc2Cl)CCCC1 793083640 CITKSYWPWDUESC-UHFFFAOYSA-N 268.763 3.983 30 20 CHED C=CCC1(C(=O)OCC(=O)c2cc3ccccc3o2)CCC1 791564609 TWDQNVWNUGOURU-UHFFFAOYSA-N 298.338 3.905 30 20 CHED CSCCON=C(C)c1cccc2ccccc12 794572420 QZOHYFWXHKYVDL-UHFFFAOYSA-N 259.374 3.943 30 20 CHED C=CC[C@H]1CCCN(Cc2csc(C3CC3)n2)C1 661381435 KTCCZSTZHAIBEX-LBPRGKRZSA-N 262.422 3.809 30 20 CHED C#CCCCOC(=O)c1ccc(-c2csc(C)n2)cc1 799517265 BTCQBLOZELTTIX-UHFFFAOYSA-N 285.368 3.689 30 20 CHED CCOc1ccccc1COC(=O)c1ccc(C)c(C#N)c1 799550928 NIRFROHYONMIFU-UHFFFAOYSA-N 295.338 3.622 30 20 CHED CSc1ccc(OCCOc2ccc(C#N)cc2)cc1 70159986 QLTGSSZJYNMSOP-UHFFFAOYSA-N 285.368 3.738 30 20 CHED CCN(CC)c1ccc(/C=C\c2ccncc2C#N)cc1 794713700 NXTFHGHGOXEKCH-YVMONPNESA-N 277.371 3.970 30 20 CHED Cc1cccc2c1CCN(c1cccc(F)c1C#N)C2 729182861 DAFLZTBGPSKPET-UHFFFAOYSA-N 266.319 3.569 30 20 CHED Fc1ccc(/C=C\C=NNc2ncncc2Cl)cc1F 794932317 DKMBWVOEXJMZDR-CENFTQODSA-N 294.692 3.519 30 20 CHED Cc1ccc(C(=O)OCc2ccc(F)c(F)c2)cc1C#N 799548164 IGLOEDYMBUHXNH-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Oc1cccc(/C=N/CCCCc2ccccc2)c1O 798068784 WOCJORXTEUKAMD-QGOAFFKASA-N 269.344 3.540 30 20 CHED CC(=NOCC1CC1)c1ccc(Br)cc1F 795246808 VHQLKYXKKSIXSJ-UHFFFAOYSA-N 286.144 3.739 30 20 CHED CC1(C)C[C@H](NN=C/C=C/c2ccc(F)c(F)c2)CCO1 794932694 JNLOFQKCRCQAMH-FWPNFTCZSA-N 294.345 3.511 30 20 CHED CC(C)[C@H]1CN(c2ncc(C#N)cc2Cl)[C@H]1C(C)C 1307116084 DXCNJBIBJRCKSF-OCCSQVGLSA-N 277.799 3.723 30 20 CHED COC(=O)c1ccc([C@H](C)Sc2ccc(C#N)cc2)o1 1307291931 DPXZWTXXJCEVHB-JTQLQIEISA-N 287.340 3.791 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1ccc(F)cc1F 1321631174 QDJCSRWAOKCASG-CMPLNLGQSA-N 267.319 3.539 30 20 CHED C[C@H](C=NNc1cncc(Br)c1)C(C)(C)C 1321260223 RFPQSFBHJRBDJX-SECBINFHSA-N 284.201 3.924 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(-c2ccccc2)s1 1322490193 BUALDDFPOPKZGU-LLVKDONJSA-N 257.358 3.719 30 20 CHED CC(C)NC(=S)NN=C(CCc1ccccc1)C(C)C 1321783451 MHJXFKWELXWBBU-UHFFFAOYSA-N 291.464 3.504 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 1328390680 GXFAJCQZNOMSHH-CHWSQXEVSA-N 293.357 3.883 30 20 CHED CCN(C(=O)CC(C1CC1)C1CC1)c1ccc(C#N)cc1 1324382505 JIAHGIKSWLCHGW-UHFFFAOYSA-N 282.387 3.737 30 20 CHED CC1(C)CC[C@H](c2nnc(COc3ccc(C#N)cc3)o2)C1 1327268039 ODIYWRYUCVKCDO-ZDUSSCGKSA-N 297.358 3.814 30 20 CHED CC(C)SCC(=O)N(c1cccc(C#N)c1)C1CCC1 1332593685 WAFDYUZEDKWOOF-UHFFFAOYSA-N 288.416 3.585 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1(Sc2ccccc2)CC1 1339342566 AHASEVBRYBQJTP-CQSZACIVSA-N 287.428 3.878 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 1338813760 CFTJOTSUHWWFOY-MRXNPFEDSA-N 297.402 3.593 30 20 CHED CC[C@](C)(NC(=O)CC#Cc1ccccc1)c1ccccc1 1332984060 UDMNGNWPWYAJIQ-FQEVSTJZSA-N 291.394 3.870 30 20 CHED C[C@@H](CNCc1cccc(OCC#N)c1)c1ccc(F)cc1 1338642311 XBZNXJWXKHHXET-AWEZNQCLSA-N 298.361 3.621 30 20 CHED CC(=O)c1ccc(C#N)c(NCC(C)(C)C2=CCOCC2)c1 1336878042 OKIQXIWBWIIXSZ-UHFFFAOYSA-N 298.386 3.546 30 20 CHED Cc1cc(C)cc(C2(C(=O)O[C@H]3CC[C@@H](C#N)C3)CC2)c1 1342576760 XTIPZZSCRNIQOR-ZBFHGGJFSA-N 283.371 3.571 30 20 CHED CC(C)c1ccccc1C(=O)OCC1(C#N)CCC1 1263385330 PODKHBZYNWSMEF-UHFFFAOYSA-N 257.333 3.661 30 20 CHED C[C@H]1CCN(CC2(CC#N)CC2)CC12CCCCC2 1193636643 KQXNCNAKNHGJPX-HNNXBMFYSA-N 260.425 3.973 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(c2cccc(N)c2)CC1 1353918516 QMHPLLQWPLLRNK-CQSZACIVSA-N 286.419 3.577 30 20 CHED Cc1cc(C)c(C(=O)OCCCC#N)cc1Br 1350442253 MWVPGBHUFKRZKM-UHFFFAOYSA-N 296.164 3.527 30 20 CHED C=C(C)CCC(=O)N(Cc1ccccc1)C[C@@](C)(O)CC 1353653616 DVJIHUXPTRONBW-SFHVURJKSA-N 289.419 3.533 30 20 CHED C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(OCC#N)cc1 221980095 XPNIQSSYYVRMBG-QWRGUYRKSA-N 286.297 3.580 30 20 CHED CN(C(=O)[C@H]1Cc2ccccc21)c1ccc(C#N)c(Cl)c1 1287626488 PWEAXDNMQLULQW-HNNXBMFYSA-N 296.757 3.514 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(CCC#N)CCC(C)C 1293066116 XTACQJBEFNCRQE-JKSUJKDBSA-N 278.440 3.991 30 20 CHED Cc1cc(C#N)ccc1CN1CCCc2cc(F)ccc21 1459693752 WCYLFRXJDVBODI-UHFFFAOYSA-N 280.346 3.959 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H]1c1cccc(C)n1 1528037094 LGPRQFWLYFFDIH-INIZCTEOSA-N 272.392 3.656 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccc(C#N)cc1 226188913 ZQOGPUOFTUSGFB-HNNXBMFYSA-N 258.365 3.647 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1cc2ccccc2o1 1608828471 HLGCRFYESZMLMH-UHFFFAOYSA-N 298.273 3.716 30 20 CHED C=C(C)C[C@H](C)C(=O)Oc1cc(Cl)ccc1C(=O)O 1602750134 MORMKTRNLYELHF-VIFPVBQESA-N 282.723 3.546 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@H]2CCF)cc1Cl 1610835388 CXTMDUCHOPOQNL-VIFPVBQESA-N 298.745 3.966 30 20 CHED Cc1cc(C#N)nc(NC[C@H]2[C@H](c3ccccc3)C2(C)C)n1 1612461984 NTJZBUSZUAXWMG-HOTGVXAUSA-N 292.386 3.508 30 20 CHED CCN(Cc1c(C)c(C)c(C)c(C)c1C)[C@H](C)C#N 1473669795 VDXLYIORPPSDEY-LLVKDONJSA-N 258.409 3.963 30 20 CHED C[C@H](Nc1nc2ccccc2nc1F)c1cccc(C#N)c1 1612894233 OAPFNIQQCUSETC-NSHDSACASA-N 292.317 3.814 30 20 CHED CCc1nc(C#N)cc(N(C)C[C@@H](C)C2CCCCC2)n1 1559255215 LOZNKBYCCVVBNT-CYBMUJFWSA-N 286.423 3.563 30 20 CHED N#Cc1cnc(Oc2ccc(Br)cc2)c(F)c1 1559053358 JBBLWNZMJOCSPV-UHFFFAOYSA-N 293.095 3.647 30 20 CHED N#Cc1ccc(CNc2cncc(C(F)(F)F)c2)c(F)c1 1621106186 PXVGWDMHOJZXMK-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1Cl)c1ncccn1 1559387499 XPJLFXLRJZZNKP-SECBINFHSA-N 275.764 3.855 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(O)cc(Cl)c1 1620923144 YEWSLBZKUKDOCB-KRWDZBQOSA-N 298.773 3.694 30 20 CHED C[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)c2ccccc21 1624876029 LNSYGKSVJQQUAC-ZDUSSCGKSA-N 291.354 3.908 30 20 CHED CC(C)[C@H]1CN(c2cccc(F)c2C#N)[C@@H]1C(C)C 1639909222 SYUVQGXJBZWJOB-CZUORRHYSA-N 260.356 3.814 30 20 CHED O=C1/C(=C\c2ccc3c(c2)OCCO3)CCc2ccccc21 3330080 MFFSJGXKVYPBGW-PTNGSMBKSA-N 292.334 3.670 30 20 CHED C[C@H](CC(C)(C)C)NC1CCN(c2ccccc2C#N)CC1 1659786215 JZRUUVSGYWXTCW-OAHLLOKOSA-N 299.462 3.941 30 20 CHED Cc1cc(SCCN2C[C@@H](C)C[C@@H](C)C2)ccc1C#N 1656666711 IQJWWHBWGPAUBN-OKILXGFUSA-N 288.460 3.937 30 20 CHED CCSCC[C@H](C)Nc1ccc(F)cc1C#N 158746933 CCPIELJHRUGATJ-JTQLQIEISA-N 252.358 3.641 30 20 CHED CCC(CC)CN(CCC#N)Cc1c(C)nc2ccccn12 160632477 XWHRPRWNAQEUEI-UHFFFAOYSA-N 298.434 3.795 30 20 CHED CCCCSCCC(=O)Nc1cc(C#N)ccc1C 151020638 MOXRMVVORGOXIZ-UHFFFAOYSA-N 276.405 3.729 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccccc1OC 153293476 SKWXGHOLQYGXAO-UHFFFAOYSA-N 276.380 3.905 30 20 CHED C=C[C@H](C)NC(=O)C1CCC(c2ccccc2)CC1 153973476 MLCNOCYGEUAAMJ-JEYLPNPQSA-N 257.377 3.651 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1cccc(Cl)c1 157647962 LMRRTLXEKXYFLW-NEPJUHHUSA-N 250.773 3.883 30 20 CHED C=CCC[C@H](NC(=O)c1cccnc1C)c1ccccc1 154230972 WCKGSJHHAQJFFY-KRWDZBQOSA-N 280.371 3.827 30 20 CHED CC(C)(C)c1cc(NC(=O)c2ccccn2)c(C#N)s1 154258233 CKQDEZMPMIJLJL-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(CCC(C)C)c1C 154865149 UPUJUNRDGBBLDL-UHFFFAOYSA-N 289.423 3.945 30 20 CHED N#Cc1ccc(F)c(CNc2c(F)cccc2F)c1 20476379 VMDHYWMMOABNQG-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#C[C@]1(c2ccc(C(F)(F)F)cc2)CCCC(=O)C1 261508738 WJWMKKSFZOQAMA-ZDUSSCGKSA-N 267.250 3.610 30 20 CHED N#CCOc1ccc(CNCc2ccc(Cl)cc2)cc1 35055478 TZLVEOZLSJAHKE-UHFFFAOYSA-N 286.762 3.532 30 20 CHED C[C@@H]1Cc2ncn(CCCC(C)(C)C#N)c2C[C@H]1C 295911335 IYCRXKWUNRFVPV-CHWSQXEVSA-N 259.397 3.584 30 20 CHED C=C(C)CCN1CCCN(Cc2ccccc2)C[C@H]1C 509687110 TWZFZMVSHNDHCG-QGZVFWFLSA-N 272.436 3.549 30 20 CHED N#Cc1ccccc1OCCCCC1CCOCC1 311515648 UJAJWBWKMXJWHW-UHFFFAOYSA-N 259.349 3.534 30 20 CHED CC(C)(C#N)CCSc1cccc([N+](=O)[O-])c1 313553062 VVHJIPFHTVYBCK-UHFFFAOYSA-N 250.323 3.627 30 20 CHED CCOc1cc(NCc2ccc(C#N)cc2)ccc1C 610910914 JOUIZLRLLVXJSY-UHFFFAOYSA-N 266.344 3.878 30 20 CHED COc1ccc(C#N)cc1NCc1nc(C2CC2)cs1 542234630 FSWPZIWKKSASFN-UHFFFAOYSA-N 285.372 3.513 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cc(OC)ccc1OC 393792108 FLKPHEOBVNEISR-OLZOCXBDSA-N 263.381 3.709 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)[C@@H]2CCC[C@@H]21 394462635 WEPFBHMTCQNSOV-LSDHHAIUSA-N 272.367 3.708 30 20 CHED CCON=Cc1ccc(OCc2ccccc2)cc1 767462168 GSIIVIQWZNUEOV-UHFFFAOYSA-N 255.317 3.636 30 20 CHED c1nc(NN=C2CCCCC2)c2c3c(sc2n1)CCC3 8284790 ZNTRSPQIQJEWFC-UHFFFAOYSA-N 286.404 3.912 30 20 CHED C=CC1CCN(C(=O)COc2cccc3ccccc23)CC1 171882471 IOKHTIAGUMYWRQ-UHFFFAOYSA-N 295.382 3.643 30 20 CHED C=CCn1c(SC/C=C/Cl)nnc1-c1ccco1 54169430 NCVHFJSYOSUAIT-GQCTYLIASA-N 281.768 3.569 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc(Cl)cc1 55206938 VDHYORGZNHLKLP-UHFFFAOYSA-N 265.784 3.697 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 172707017 IWSOBFNQDDOXLO-GHMZBOCLSA-N 288.416 3.873 30 20 CHED CC[C@H](Nc1cccc(OCCCC#N)c1)c1cnn(C)c1 179820252 MJYJQRIFFVWFDS-KRWDZBQOSA-N 298.390 3.666 30 20 CHED N#CC1(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)CCC1 107571897 YZILMBGLBGFEPB-DLBZAZTESA-N 290.366 3.506 30 20 CHED C=CC1CCN(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 110366023 YSGUZGZARINTQH-HUUCEWRRSA-N 261.409 3.649 30 20 CHED N#Cc1c(Cl)cccc1N1CCc2sccc2C1 50499286 XWLXMHZSSRGZRQ-UHFFFAOYSA-N 274.776 3.836 30 20 CHED C=C(Br)CNC(=O)C(C)(C)CCCCC 177620862 GNRAGQFTOAFJQB-UHFFFAOYSA-N 276.218 3.618 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)s2)C1 116814336 XQIHUZJQJZYTTF-ZANVPECISA-N 282.796 3.604 30 20 CHED N#Cc1ccnc(SCc2ccc3ccccc3n2)c1 114097902 YWKIUBWWIRLKJH-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CCC(CC)CN(CC)c1nc(Cl)c(C#N)s1 310481649 DBMSBEZSLQHZGM-UHFFFAOYSA-N 271.817 3.931 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc(F)cc2Cl)CC1 177907042 MYNRFXDWOMQLCU-LBPRGKRZSA-N 296.817 3.780 30 20 CHED CCCN(C(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 110416754 JPJRIGQUCCKGAN-UHFFFAOYSA-N 299.761 3.663 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)c1cccs1 178630184 SOPUNDZBAPRKRU-LLVKDONJSA-N 270.357 3.670 30 20 CHED COc1cc(C#N)cc(Cl)c1OCCCC(C)(C)C#N 178817169 SGSXKIRDWFHCFV-UHFFFAOYSA-N 292.766 3.929 30 20 CHED C=CCOc1ccccc1CNc1ccc(Cl)cn1 301421738 FCEROIUYFHVNKZ-UHFFFAOYSA-N 274.751 3.912 30 20 CHED C[C@@H](CNCC(C)(C)CCC#N)Oc1ccc(F)cc1 174603260 OZODQUOEEFZQKQ-ZDUSSCGKSA-N 278.371 3.513 30 20 CHED Cc1ccc(F)cc1CN(CCC#N)CC(C)(C)C 352723027 PJHROZZILHNZFM-UHFFFAOYSA-N 262.372 3.896 30 20 CHED C=CCCC(=O)Nc1cnccc1-c1cccc(F)c1 177540448 QTPYUNKABUIVMP-UHFFFAOYSA-N 270.307 3.792 30 20 CHED N#Cc1ccccc1OC[C@H]1CCCC(F)(F)C1 302330977 DBVDVYCJXTWJPP-NSHDSACASA-N 251.276 3.763 30 20 CHED C=CCOc1ccccc1CNc1ccnc(C)c1 302564309 MPMCOIOCUBLSOL-UHFFFAOYSA-N 254.333 3.567 30 20 CHED C[C@@H]1CN(c2ccc(C#N)nc2)CC[C@H]1c1ccccc1 301519183 CPQSFFLGHFDLPM-RDTXWAMCSA-N 277.371 3.583 30 20 CHED C=CCC[C@H](Nc1nccc(OC)n1)c1ccccc1 301769917 IRPJWBDGBSVKAQ-AWEZNQCLSA-N 269.348 3.605 30 20 CHED C#CCCCN[C@H](C)c1cc2cccc(OCC)c2o1 181832307 DWPYDBQQZYXXEW-CYBMUJFWSA-N 271.360 3.896 30 20 CHED C[C@@H](CCC#N)Sc1nc(C2CC2)n(-c2ccccc2)n1 188227837 QSJVIMJSEVMFHV-LBPRGKRZSA-N 298.415 3.929 30 20 CHED N#Cc1cc(F)ccc1COc1ccc(F)cc1F 77565494 QHPICDDWHCNDCI-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C[C@](O)(CNc1c(Cl)cccc1C#N)c1cccs1 78297540 DOKWWDZATLIDNC-AWEZNQCLSA-N 292.791 3.593 30 20 CHED CC(C)(C)C1CCC(CC(=O)N[C@@H](C#N)C2CC2)CC1 121146414 DBYKATYZPDBKOJ-ZALBZXLWSA-N 276.424 3.647 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCCOc2cc(F)ccc21 188571622 OTMVWZIHPQAYRI-YOEHRIQHSA-N 291.366 3.758 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)c1cccc(CC#N)c1 75680284 JFWASEMRSHEZPS-GOSISDBHSA-N 292.382 3.504 30 20 CHED C=C(C)CN1CCC(NC(=O)CC2(C)CCCCC2)CC1 122034941 OLMCIKWYETWLOR-UHFFFAOYSA-N 292.467 3.504 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)[C@H]1C#N 434012041 MVHVPOPGHYZCFN-ZDUSSCGKSA-N 294.757 3.633 30 20 CHED C[C@@H]1CN(CCOc2cccc(C#N)c2)c2ccccc21 71952428 KZAWTYYKJXRZAH-CQSZACIVSA-N 278.355 3.561 30 20 CHED C#Cc1cccc(NC(=O)Nc2cccc(CC)c2)c1 217184171 VBZGVFUUCVODSG-UHFFFAOYSA-N 264.328 3.874 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1ccc(F)cc1F 410146569 ZKHCDXIOFQHQRC-YPMHNXCESA-N 281.346 3.929 30 20 CHED N#Cc1ccc(OCCN[C@@H](c2cccs2)C2CC2)cc1 120209183 HISAVBKQIJIYQF-QGZVFWFLSA-N 298.411 3.739 30 20 CHED Cc1ccccc1/C=C1\Cc2cc(O)ccc2C1=O 187222452 VMHMITNLURMPFW-RIYZIHGNSA-N 250.297 3.523 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@@H]1CCCCC1(C)C 120844811 PQZFGZIYUOKLCR-BBRMVZONSA-N 264.413 3.647 30 20 CHED C/C=C/C=C/C(=O)Oc1c(Cl)cc(C#N)cc1OCC 78767261 XANCYBBCWQJWOS-TWTPFVCWSA-N 291.734 3.648 30 20 CHED COc1cc(F)c(NCc2ccc(F)c(C#N)c2)cc1F 125133489 KDLSGSDKBRKJIJ-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CC(C)c1ccc(OCCN[C@H]2CCC[C@@H](C#N)C2)cc1 185791645 BRDMUCYXOLOUMK-WBVHZDCISA-N 286.419 3.861 30 20 CHED COc1ccc([C@H](Nc2ncc(C#N)cc2F)C(C)C)cc1 413027309 AIPAOYNQOIVPGH-MRXNPFEDSA-N 299.349 3.910 30 20 CHED C=CCNc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 78600729 ULOJKSZLWHFPNU-UHFFFAOYSA-N 282.343 3.545 30 20 CHED CC(C)(C)C1CC(C(=O)Nc2ccccc2CC#N)C1 410829726 SAZBSHWMAOFBIA-UHFFFAOYSA-N 270.376 3.763 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(Cl)c2cccnc12 180472277 HOEBILBUAIHJDV-UHFFFAOYSA-N 274.751 3.536 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1[C@H](C)CCC 120328199 PXAMYFJFOIKZDM-HZSPNIEDSA-N 252.402 3.561 30 20 CHED CCCCCN(C(=O)NC[C@H](C)C#N)[C@H](C)CCC 182758503 VGGGYVQGSOMQTF-ZIAGYGMSSA-N 267.417 3.536 30 20 CHED CC/C(=C\C(=O)N[C@H](CC)CC#N)c1ccc(C)cc1 183944115 TXPPWPBNFBQHJZ-WCRPCQDQSA-N 270.376 3.597 30 20 CHED C=CCN(C(=O)N[C@H](c1ccc(F)cc1)C(C)C)C1CC1 508650423 MTGOLWSZMJVYNX-INIZCTEOSA-N 290.382 3.883 30 20 CHED C=C(CC)CSCc1cc(Br)no1 379390543 OFWSBYBEELFJCU-UHFFFAOYSA-N 262.172 3.637 30 20 CHED CC[C@H]1CN(C(=O)C(C)(C)C#N)CC[C@@H]1c1ccccc1 74285153 WWHMTCCBCAZOQO-HOCLYGCPSA-N 284.403 3.578 30 20 CHED CO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1 181998696 GUTITVBZFBRYKX-UGSOOPFHSA-N 298.361 3.736 30 20 CHED N#Cc1cccc(NC(=O)N2CCC[C@H]2c2cccs2)c1 43329912 UNPNXKZKTYZOIP-AWEZNQCLSA-N 297.383 3.989 30 20 CHED CCCCCCCC(=O)NCCC[C@H]1CCCCO1 183401168 NJKNKUDXYFLPFO-OAHLLOKOSA-N 269.429 3.812 30 20 CHED C=CCC[C@H](C)NC[C@H](N)c1ccc(C(C)C)cc1 414842071 IKXQBZWFVMKTCU-YOEHRIQHSA-N 260.425 3.754 30 20 CHED N#Cc1ccc(CNc2cccc(Br)c2)o1 135510254 SIRICWJGSJKEPO-UHFFFAOYSA-N 277.121 3.526 30 20 CHED Cc1ncsc1N=C(O)CC/C(O)=N/C1CCCC1 328886025 ZLIHKRVOBAWSKM-UHFFFAOYSA-N 281.381 3.719 30 20 CHED CC(C)(C#N)CCCNc1ccccc1N1CCCC1=O 133642588 ABVYKVDRYDIDRM-UHFFFAOYSA-N 285.391 3.555 30 20 CHED COc1ccc(/C=C\C(=O)c2c[nH]c3ccccc23)cc1O 221725655 JJJRAVUDAOIJDJ-VURMDHGXSA-N 293.322 3.778 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 412402155 JGRPKCKHJIWJGZ-UONOGXRCSA-N 263.768 3.526 30 20 CHED Cc1ccc(C[C@@H]2CCCN2c2ncc(C#N)cc2F)cc1 413146592 XLUIJAZBMPDWFW-INIZCTEOSA-N 295.361 3.612 30 20 CHED COCCC1(CN[C@@H]2CCC[C@H](C#N)C2)CCCCC1 193308923 ITYJKUMFMKIFTP-JKSUJKDBSA-N 278.440 3.645 30 20 CHED C[C@@H]1C[C@H](NC(=O)CCCC#N)C[C@@H](c2ccccc2)C1 412689020 IGXPEVQVBYMFIO-XIRDDKMYSA-N 284.403 3.769 30 20 CHED C=CC[C@H](C)N[C@H](COC)c1ccc(Cl)cc1 194102476 MELCFFJZRXCMDE-SMDDNHRTSA-N 253.773 3.582 30 20 CHED CCC(CC)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 193094083 YQSKJXQBZCSSJR-ZDUSSCGKSA-N 272.392 3.904 30 20 CHED C#CCCCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 192183843 DPPRWINYAKMEQQ-SFHVURJKSA-N 287.378 3.977 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1C[C@H]1C1CCCCC1 329917232 ZGCVJUXKDXQEHW-GXTWGEPZSA-N 276.380 3.819 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](SCC)C1 424708257 RIUGKRIBTRSPHT-QWHCGFSZSA-N 269.454 3.769 30 20 CHED C=CCC(C)(C)c1nc(Cc2cccc(F)c2)no1 426334508 ACGRMENWCMRQFB-UHFFFAOYSA-N 260.312 3.653 30 20 CHED C=CC[C@H]1N(C[C@@H]2CCSC2)CCCC1(C)C 425997186 WJNHTTHDOBOOJF-UONOGXRCSA-N 253.455 3.806 30 20 CHED C=CCCC(=O)Nc1cc(F)c(Br)cc1F 160867760 OBSXPNRTKURPOI-UHFFFAOYSA-N 290.107 3.632 30 20 CHED Cc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2C#N)cc1 45364243 OWLQSXLBWXROAN-RUMSDORHSA-N 290.366 3.757 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 44812940 QCDCXDMHDNPROH-IUCAKERBSA-N 285.174 3.720 30 20 CHED C=CCNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1 421736919 GLEPTYJVCBCCEX-UHFFFAOYSA-N 295.386 3.581 30 20 CHED C=C(C)CNC(=O)NCc1ccccc1Oc1ccccc1 428663288 GRBLMFJIVVRVKU-UHFFFAOYSA-N 296.370 3.854 30 20 CHED CC(C)OCCCSCc1ccc(F)cc1C#N 190935007 NTVLMUZEORVTHC-UHFFFAOYSA-N 267.369 3.746 30 20 CHED C=CCC[C@@H](CCC)NCc1cn2cc(C)ccc2n1 517448231 GZARAQNLFXPOQA-OAHLLOKOSA-N 271.408 3.867 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)C1(C#N)CCCCC1 44385606 TYYKLFIZLZBXKU-UHFFFAOYSA-N 282.387 3.748 30 20 CHED C=C(C)CNCc1cccc(OCc2ccccc2)c1 381781115 ZOTRLMFMRRMDKY-UHFFFAOYSA-N 267.372 3.931 30 20 CHED CC(C)[C@@H]1C[C@H]1CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425589699 QSJMQCMCRADIBA-COXVUDFISA-N 299.418 3.553 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)NCc1ccc(C#N)s1 420759207 IJOPLIXLUCLRNR-GFCCVEGCSA-N 293.436 3.634 30 20 CHED COc1ccc2cc(CNc3cc(C#N)ccn3)ccc2c1 339966436 AQQATZBCTPIODF-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCCn1c(C(=O)OC(C)(C)C#N)cc2ccccc21 191591645 AIASXAUJLBDQFJ-UHFFFAOYSA-N 270.332 3.510 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@](F)(c2ccccc2F)C1 513522210 XKYBSRLJXKFYFS-QGZVFWFLSA-N 293.357 3.825 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2cc(C#N)n(C)c2)C1 191382606 CTTVAKLNBGDBKP-ACJLOTCBSA-N 297.377 3.619 30 20 CHED Cc1ccc([C@H](C)NCc2cc(C#N)cs2)s1 93492528 WIXUXDRPRNBTSV-JTQLQIEISA-N 262.403 3.841 30 20 CHED Cc1ccc([C@@H]2CCCN2[C@H]2CC[C@H](C#N)C2)s1 338999956 LNNRAGJZMUOSMC-IHRRRGAJSA-N 260.406 3.886 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@]12CCC[C@@H]1C2 421438548 QYDDJWABZOPTDH-MJGOQNOKSA-N 296.414 3.733 30 20 CHED CCN(Cc1ccc(Br)cc1C)C[C@H](C)C#N 91984047 RGRRBSMKWOXCBR-LLVKDONJSA-N 295.224 3.739 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OC)c(OCC)c1 426548318 MAVQWMSTTCIVNO-OAHLLOKOSA-N 275.392 3.634 30 20 CHED CC#CCN(C)C(=O)c1ccccc1Sc1ccccc1 515474246 JFXQEKCKHCWMJG-UHFFFAOYSA-N 295.407 3.933 30 20 CHED CC(C)CCN(CCCC1(C#N)CCOCC1)C1CC1 337142555 UCJZSURASXMYQH-UHFFFAOYSA-N 278.440 3.597 30 20 CHED N#CCCCCNCc1cccc(OC2CCCC2)c1 237817497 PJJQQKDXLGPJBD-UHFFFAOYSA-N 272.392 3.791 30 20 CHED CN(Cc1ccc(Cl)s1)c1nccc(C#N)c1Cl 234319031 AYWXRQQSJVXTCE-UHFFFAOYSA-N 298.198 3.958 30 20 CHED CC(C)(C)c1ccc(CCNCc2ccc(C#N)o2)cc1 236586092 CKVWWWLMJPNJNN-UHFFFAOYSA-N 282.387 3.781 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCC12CCCCC2 337826687 QYOWNGQGEMRDHM-UHFFFAOYSA-N 282.387 3.806 30 20 CHED C=CCCCNc1cccc(C(=O)OC)c1Cl 431108220 NSHMBCXQPLSHTE-UHFFFAOYSA-N 253.729 3.505 30 20 CHED CC(C)COc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 338319912 ZHHCAPKDEKZNSY-MRXNPFEDSA-N 294.354 3.606 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccc(F)c(Cl)c1 433044714 NVNPFYXKYZOMOT-UHFFFAOYSA-N 298.789 3.977 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2CCCO[C@H]2c2ccccc2)C1 248901643 UMDQWCDDANMXKH-BVBHFADKSA-N 298.430 3.826 30 20 CHED N#Cc1csc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c1 435738327 QUPYHEVJSKZTNX-CTYIDZIISA-N 286.375 3.795 30 20 CHED CC[C@H](C#N)OC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 247070401 WTWHYXPBUIZXQZ-COXVUDFISA-N 279.339 3.789 30 20 CHED N#Cc1cccc(Cl)c1NCc1ccc2c(c1)CCO2 525706333 DTRJGUCJARAYAT-UHFFFAOYSA-N 284.746 3.759 30 20 CHED N#Cc1cccc(S[C@H]2CCO[C@H](c3ccncc3)C2)c1 600530978 ULGJFULUWIFFOM-IRXDYDNUSA-N 296.395 3.966 30 20 CHED C=CCC[C@@H](NCc1ccc(N2CCCCC2)nc1)C1CC1 439097460 YGHNBHHQEWPICC-GOSISDBHSA-N 299.462 3.906 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1ccc([N+](=O)[O-])cc1 255771756 LFOUFAWKDSQKFT-YVMONPNESA-N 288.690 3.539 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 342729295 HIVBIDJQAYZMEG-UHFFFAOYSA-N 296.301 3.514 30 20 CHED CC(C)C[C@H]1CCCCCN1C(=O)NCC1(CC#N)CC1 431197239 OOVTUIWNSGTBKR-OAHLLOKOSA-N 291.439 3.681 30 20 CHED N#Cc1cccc(NC(=O)c2[nH]c3ccccc3c2Cl)c1 603777036 SORCDWATJBUYLB-UHFFFAOYSA-N 295.729 3.945 30 20 CHED CC(C)[C@@H]1CN(Cc2cc(C#N)n(C)c2)c2ccccc21 447099902 SPKAZMSQQNHPFA-KRWDZBQOSA-N 279.387 3.657 30 20 CHED C=CCCN(C)C(=O)c1cccc2c1ccn2CC(C)C 346645534 VMYSRJZQJVJKIB-UHFFFAOYSA-N 284.403 3.945 30 20 CHED CC#CCCNC(=O)Nc1cccnc1-c1csc(C)c1 446467255 SBMGZCLXYFLLQM-UHFFFAOYSA-N 299.399 3.653 30 20 CHED CCOCc1cc(/C=C\c2ccc(C#N)cn2)ccc1OC 255109081 KTJWAEOEPHQWMX-DAXSKMNVSA-N 294.354 3.669 30 20 CHED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccn(C)n1 349758635 NJHUPLKZZNTXHW-JKSUJKDBSA-N 282.391 3.506 30 20 CHED CC(C)(C)c1ncc(/C=C\c2ccc(C#N)cn2)s1 255471241 CWZXFBYCJNENDP-SREVYHEPSA-N 269.373 3.878 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1c(C)noc1C)CO2 255553872 CBCAYBYNJNNLKI-QPEQYQDCSA-N 283.327 3.567 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccc(F)c(Cl)c1 529198726 KYJYRTMBFCEQAT-LBPRGKRZSA-N 281.758 3.589 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCCSC2)CCCC1(C)C 356160583 IALNYAVNWNAOOK-KGLIPLIRSA-N 281.465 3.723 30 20 CHED C=C(CC)CNCc1ccc(OC)c(OCCC)c1 449730024 CJFPAYSONASYCB-UHFFFAOYSA-N 263.381 3.540 30 20 CHED C=CCCC1(C(=O)N2CCc3c(F)ccc(F)c3C2)CC1 356346499 HCTYSZLZCSBSCV-UHFFFAOYSA-N 291.341 3.596 30 20 CHED C=CCCSc1nc(C2CC2)nn1-c1ccccc1 351570325 OADNUVZTGKTRMC-UHFFFAOYSA-N 271.389 3.813 30 20 CHED CC(C)(NCCCCC#N)c1ccc(Br)cc1 608832496 YLZSAOFNTBXRSN-UHFFFAOYSA-N 295.224 3.968 30 20 CHED Cc1cccc(CN(C)CC#Cc2cccc(Cl)c2)n1 440658511 HWIMLCCIPHKZGY-UHFFFAOYSA-N 284.790 3.527 30 20 CHED CC[C@H](NCCc1ccccc1OC)c1ccc(C#N)cc1 447507957 JOYBTRGJWHIUOE-SFHVURJKSA-N 294.398 3.850 30 20 CHED C=CCCC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 263728080 ZGTZGOYFCLJGBC-ZDUSSCGKSA-N 261.365 3.617 30 20 CHED CC[C@H](CC(=O)N(CCC#N)Cc1ccco1)C(C)C 264228207 VXKUCZYMNXCHTG-CQSZACIVSA-N 276.380 3.594 30 20 CHED CCc1ccc([C@H](C)NC(=O)N2CCC[C@](C)(C#N)C2)cc1 612092691 PTINQZKYEOVNPW-KBXCAEBGSA-N 299.418 3.645 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](CCOC)c1ccc(C)o1 353032124 FASRKXVDVPEBLD-CFVMTHIKSA-N 265.397 3.856 30 20 CHED CCN(c1cccc(F)c1C#N)[C@@H](C)c1cccnc1 265191100 HEWIGTZVUDWQHA-LBPRGKRZSA-N 269.323 3.680 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H](Cc1ccccc1)C(C)C 611250601 LCLZEACHWCSYEV-DLBZAZTESA-N 286.419 3.556 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)cc1F 268887283 OFLPJSBBHMCMQU-GOSISDBHSA-N 280.346 3.783 30 20 CHED CC[C@H](F)CSCc1ccc(C#N)cc1OC 442545285 QNNDAYUZOFOEEF-LBPRGKRZSA-N 253.342 3.548 30 20 CHED CC(C)(C#N)c1ccccc1Cn1ccnc1C1CC1 530129576 MIQBRRNXMXUCMU-UHFFFAOYSA-N 265.360 3.610 30 20 CHED CN(C(=O)C[C@@H](CC#N)c1ccccc1)C(C1CC1)C1CC1 355455148 INRPPNMNOIVMHN-QGZVFWFLSA-N 296.414 3.721 30 20 CHED COc1c(CNc2ccc(C#N)cc2)oc2ccccc12 352582511 AVNVZFZOXWBETI-UHFFFAOYSA-N 278.311 3.925 30 20 CHED CCOC(=O)c1cccc(S[C@H](C)CCC#N)c1 357109036 VCVXKAWBZWXYIY-LLVKDONJSA-N 263.362 3.648 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc2occc2c1 617624605 OPMFNRONJWXLDI-INIZCTEOSA-N 257.333 3.651 30 20 CHED C=CCC1(NC(=O)c2ccc3ccncc3c2)CCCC1 619111974 OPODGSHTFTZCEV-UHFFFAOYSA-N 280.371 3.854 30 20 CHED N#Cc1cccc(CN2CCSc3ccccc32)c1F 536995079 MROREOQZBWVYHF-UHFFFAOYSA-N 284.359 3.810 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](CC)CC(F)(F)F)C1 617776871 CUESMXDJXPNKOJ-NWDGAFQWSA-N 277.330 3.780 30 20 CHED N#Cc1csc(CN(C2CCCCC2)C2CC2)c1 611254839 GGXVRSFOJKNQFM-UHFFFAOYSA-N 260.406 3.917 30 20 CHED CC(C)N(Cc1ccco1)C(=O)[C@H](C)c1cccc(C#N)c1 360398437 XJOCWMDRBVKIEA-CQSZACIVSA-N 296.370 3.692 30 20 CHED C=CCN1CCC[C@H]1c1nc2ccccc2n1C(C)C 361444220 JPYZCNZQKYGJON-INIZCTEOSA-N 269.392 3.940 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 360050613 BZXNACYIQAGEMN-CZUORRHYSA-N 281.334 3.841 30 20 CHED C=CC[C@@H](C)NC(=O)NCCc1cc2ccccc2s1 454514614 CCGXTGLWDAEGNW-GFCCVEGCSA-N 288.416 3.708 30 20 CHED CCC1(CNC(=O)N2CCC[C@@](C)(C#N)C2)CCCCC1 613069860 CIJBHCPNCIMIHO-INIZCTEOSA-N 291.439 3.682 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1C)C1CCCC1 456662684 PPFWKQVNWALZPQ-MRXNPFEDSA-N 270.376 3.565 30 20 CHED C=C(C)[C@@H](CC(=O)NCC(C)(C)CC(C)C)OCC 533704985 YKGWAKXOUAMRLQ-CQSZACIVSA-N 269.429 3.546 30 20 CHED CCN(Cc1c(F)cc(C)cc1Cl)C[C@H](C)C#N 459326550 MSRYYUDMGVCFDI-LLVKDONJSA-N 268.763 3.769 30 20 CHED C=CCC1(NC(=O)c2cc(-c3ccco3)on2)CCCC1 619114928 QSAOFHMSCPMVTG-UHFFFAOYSA-N 286.331 3.553 30 20 CHED CCN(Cc1ccnn1C(C)C)[C@H](C)c1ccc(C#N)cc1 279734293 WHOVOYQYUKBOMG-OAHLLOKOSA-N 296.418 3.919 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2ccc(F)cc21 453369954 VDPFBURHUPPNTR-ZACQAIPSSA-N 275.367 3.526 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](c2ccccc2OC)C1 275967153 JFJCJUKIHALDGS-KDOFPFPSSA-N 287.403 3.613 30 20 CHED C=CC[C@H]1N(C(=O)N[C@@H](C)C(C)(F)F)CCCC1(C)C 455777831 GVYCVYJTEXDPNU-NWDGAFQWSA-N 288.382 3.806 30 20 CHED CC1(C)C[C@H]1c1noc(/C=C/c2ccc(OCC#N)cc2)n1 273662015 FUKGQCKPWWDELS-GPAKFWEMSA-N 295.342 3.656 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCCN(C)c3ccccc32)CC1 456601533 GHIBMLUNNXIESQ-MRXNPFEDSA-N 298.430 3.820 30 20 CHED COc1ccc([C@H](NCCC(C)(C)C#N)C2CC2)cc1 271992950 FGPMSQYMIYQPCP-MRXNPFEDSA-N 272.392 3.676 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc2ncccc2c1)OCC 270042719 OSRPTANAKKJGJJ-INIZCTEOSA-N 284.359 3.545 30 20 CHED C=CC[C@@H]1N(C(=O)CCCC(=O)C2CC2)CCCC1(C)C 451215655 JPLHZAYZXRAUFV-INIZCTEOSA-N 291.435 3.729 30 20 CHED C=C(C)CCNC(=O)c1ccccc1CSCC 452720194 WEKPOGYCJUWAKF-UHFFFAOYSA-N 263.406 3.636 30 20 CHED C=C(CNC(=O)c1c(F)ccc(F)c1F)c1ccccc1 360211120 BLXHIDFFQCQPKV-UHFFFAOYSA-N 291.272 3.547 30 20 CHED Cc1csc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1Cl 276696051 VXDCJKYNKRMKCM-XPTSAGLGSA-N 296.823 3.912 30 20 CHED C=C(C)CNC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 548281992 JOSFQBAEXDDNCV-UHFFFAOYSA-N 274.408 3.702 30 20 CHED C=C(C)CCNC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 455330421 UQHULWKKDJKVNI-NSHDSACASA-N 294.345 3.560 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCC(C)(C)C#N 360263329 BDVGIZMGEOVSBN-KBPBESRZSA-N 284.403 3.642 30 20 CHED CCc1cccc2c1OCC[C@H]2Nc1nccc(C)c1C#N 544144834 AOHDTVVLMHOZRV-MRXNPFEDSA-N 293.370 3.760 30 20 CHED C=CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)C(C)(C)C 622944701 BHIWNJFPVVYXEB-MRXNPFEDSA-N 287.403 3.617 30 20 CHED C=Cc1ccc(CCNc2nccc(C#N)c2Cl)cc1 461880457 DWQLFGUIPJEPQO-UHFFFAOYSA-N 283.762 3.904 30 20 CHED CC[C@@H](C)CCC(=O)N[C@H](C)c1ccc(C#N)cc1 285487764 OVWXSUDENFKZNG-CHWSQXEVSA-N 258.365 3.562 30 20 CHED Cc1c([C@@H](NC(=O)[C@@H](C)C#N)C(C)C)oc2ccccc12 467540139 OLTCDWNOLJZBRB-NHYWBVRUSA-N 284.359 3.714 30 20 CHED C=CCOCCCC(=O)N[C@H](C)CCC1CCCCC1 463715389 NRHSJTXWNJOTML-OAHLLOKOSA-N 281.440 3.834 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 460602717 QTFHBPQAKPSIKJ-HRCADAONSA-N 299.414 3.950 30 20 CHED CC#CCCCC(=O)N(CC)[C@H](C)c1ccc(F)cc1 464439747 ZIWNIHHDBISJAJ-CQSZACIVSA-N 275.367 3.929 30 20 CHED C=C(C)Cn1c(N2CCC[C@@H]2CC)nnc1C(C)(C)C 460377968 VKSYGAZGTXJLMI-ZDUSSCGKSA-N 276.428 3.531 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC(C)(F)CC1 634360497 PIKWEQYXORMQIS-UHFFFAOYSA-N 293.407 3.929 30 20 CHED C=CCOCCN[C@H](Cc1ccccc1)c1ccccc1 385896249 WWCWYQNKTODWFV-LJQANCHMSA-N 281.399 3.763 30 20 CHED N#Cc1ccc(CN2CCC=C(c3ccco3)C2)s1 289366869 KXMGRNNOWMZKRT-UHFFFAOYSA-N 270.357 3.502 30 20 CHED C=CCC1(CNCc2cnc(CCOC)s2)CCCC1 631153010 NREDDIKLMOVNDN-UHFFFAOYSA-N 294.464 3.558 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCc2ccccc21 281532442 YPYHDYUOGIHBCI-GOEBONIOSA-N 272.392 3.670 30 20 CHED C=CCC[C@@H](NCC1(SC)CCOCC1)c1ccco1 286218197 SERRJZNMADGJCD-CQSZACIVSA-N 295.448 3.789 30 20 CHED CO[C@@H](C1CC1)[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 388356431 QVRFLVMPKOUEGC-YMTOWFKASA-N 298.308 3.802 30 20 CHED Cc1cc(Nc2ncccc2C#N)nn1C1CCCCC1 290591625 DBRGVJKYOBFYFW-UHFFFAOYSA-N 281.363 3.707 30 20 CHED CCC[C@@H](CC)NC(=O)C[C@H](CC#N)c1ccccc1 475320825 WXIHSLKJTWWASH-JKSUJKDBSA-N 272.392 3.769 30 20 CHED CCc1ccc(CCC(=O)N(C)c2ccccc2C#N)cc1 479682279 BEZHPJGXIJYWDD-UHFFFAOYSA-N 292.382 3.716 30 20 CHED CN(c1nccc(C#N)c1Cl)[C@@H]1CCc2ccccc2C1 557599955 ZNMUSMUJLDZHGO-OAHLLOKOSA-N 297.789 3.600 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N(C1CCC1)C1CCC1 292424490 CJIBNHJYGSTXCE-VAWYXSNFSA-N 280.371 3.505 30 20 CHED C#C[C@H](NCc1cnc(-c2ccc(C)cc2)s1)C(C)C 809684461 CXEYWGFSKDMFTP-INIZCTEOSA-N 284.428 3.866 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1ccc(Cl)cn1 805923139 BSMXMMOJIYRTSE-NSHDSACASA-N 280.755 3.813 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C)n(C2CCCCC2)n1 290932759 MTBXMGWQKIPISP-UHFFFAOYSA-N 287.407 3.685 30 20 CHED CCCc1nc(C)c(C(=O)Nc2ccc(CC#N)cc2)s1 298439575 HVRDLTXCPCZKEQ-UHFFFAOYSA-N 299.399 3.722 30 20 CHED C[C@@H](NC(=S)NCC(C)(C)CCC#N)c1ccccc1 806598623 TXVJUUYUXXVOIF-CYBMUJFWSA-N 289.448 3.542 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(C)cc(C)cc1Cl 806136075 RHNNTVOUDBDJQW-LBPRGKRZSA-N 278.783 3.880 30 20 CHED C=CCCCCCNC(=O)[C@H](C)c1ccc(F)c(F)c1 563356883 QPABMELSBPOQKP-GFCCVEGCSA-N 281.346 3.931 30 20 CHED C=CCCCCNC(=O)Nc1cnn(CCC(C)C)c1C 473755539 SKOPUJFXHAZFFI-UHFFFAOYSA-N 292.427 3.715 30 20 CHED CCCC[C@@H](C)C(C)=NNc1nc(O)c2ccccc2n1 807977303 IMTBSFXHBALIAU-LLVKDONJSA-N 286.379 3.950 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 471716707 XFGOZFVTPYOHFN-GJZGRUSLSA-N 277.795 3.916 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 474693862 JICKKAWOQHRRRD-UNEWFSDZSA-N 284.403 3.952 30 20 CHED N#CCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 293467114 WVGZFQQNMHDADK-KURKYZTESA-N 296.414 3.865 30 20 CHED N#C[C@@]1(C(=O)Oc2c(F)cccc2Cl)CC12CCCC2 297676965 GKUILLPQDGJUOV-OAHLLOKOSA-N 293.725 3.859 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)S[C@@H](CC)CCC 477077002 MIRCDDGUCYKYEK-KGLIPLIRSA-N 269.454 3.887 30 20 CHED CCCCC[C@@](C)(CC)C(=O)Nc1n[nH]c(C)c1C#N 807394517 QUCRDGBXTKVPBJ-OAHLLOKOSA-N 276.384 3.525 30 20 CHED CC(C)c1nccc(NCc2ccc(C#N)c(Cl)c2)n1 800884778 XQKPJUCCSDZCTO-UHFFFAOYSA-N 286.766 3.737 30 20 CHED C#Cc1ccc(C(=O)O[C@H]2CCc3c(Cl)cccc32)nc1 803338837 QQCXIVLDTCFRFN-INIZCTEOSA-N 297.741 3.561 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1ccc(F)c(C#N)c1 475592653 YWBJFFOJOHEZOH-OAHLLOKOSA-N 262.328 3.852 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 295076664 IGOWVUGWTNQTDV-DZGCQCFKSA-N 257.377 3.603 30 20 CHED C=CCCN(C)C(=O)C1(c2ccccc2Cl)CCC1 649951508 UKAYFKSRJSZEJR-UHFFFAOYSA-N 277.795 3.796 30 20 CHED N#Cc1c(F)cccc1SCCCCCn1cccn1 566497525 CCKJKOFQWSIYPE-UHFFFAOYSA-N 289.379 3.856 30 20 CHED C[C@H](NN=Cc1ccc2c(c1)CCCC2)c1ccncc1 819819347 XSGHASWTCHRFCD-AWEZNQCLSA-N 279.387 3.645 30 20 CHED CCn1nccc1C=NNc1c(C)cccc1C(C)C 812232541 IRJFBAJCCFQZNU-UHFFFAOYSA-N 270.380 3.781 30 20 CHED C#CC[C@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccccc1 816558820 MCTFPYYFPWZXTQ-KXBFYZLASA-N 279.383 3.677 30 20 CHED CC(=NN[C@H](C)COc1ccccc1)C1CCCC1 811664488 FHHKFCGHZBDHPG-CYBMUJFWSA-N 260.381 3.610 30 20 CHED N#CCC1(OC(=O)c2ccc(OC3CCC3)cc2)CCC1 810855285 GPHXXJLWXNUJSA-UHFFFAOYSA-N 285.343 3.611 30 20 CHED CCCCCC(C)=NNC(=S)NC1CCCCC1 818215615 DYULQCUSYNCNGV-UHFFFAOYSA-N 269.458 3.739 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)s2)C1 487319077 ILYHHUDICPYPMI-RYUDHWBXSA-N 276.405 3.564 30 20 CHED CCCCCCCCC(=O)N[C@@]1(C#N)CC1(C)C 813302788 FDFDNABNIPAUQE-OAHLLOKOSA-N 250.386 3.545 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H](C)Cc1ccc(C)cc1 488972123 SURKATLOKGZNPQ-MRXNPFEDSA-N 296.414 3.686 30 20 CHED CCOc1cc(NCc2ccc(C#N)c(OC)c2)ccc1C 565377776 KQXFINQZWDFCPN-UHFFFAOYSA-N 296.370 3.886 30 20 CHED CCCCCCCC(=O)N1CCC[C@@](CO)(C(C)C)C1 819038028 YJFGMCQPAVHCRW-QGZVFWFLSA-N 283.456 3.604 30 20 CHED C=CCC(F)(F)C(=O)Oc1cc(C)ccc1Cl 814808011 UWAPKPHLYABKKD-UHFFFAOYSA-N 260.667 3.765 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)[C@@H]1CCCC[C@@H]1C 812967085 RXGNMLFEJPQXME-MAUKXSAKSA-N 283.415 3.638 30 20 CHED C=CCCCC(=O)N(Cc1ccc(F)cc1)C(C)C 481316486 HMGCBPQPVAVTJI-UHFFFAOYSA-N 263.356 3.919 30 20 CHED C[C@@H](COc1ccccc1)N[C@@H]1CCc2ccc(C#N)cc21 810213962 KFZZAKABJNMTKF-IFXJQAMLSA-N 292.382 3.603 30 20 CHED C=CCCCCCCCNC(=O)c1c(C)ccn1C 811590119 PVOBAPAEPXBKHJ-UHFFFAOYSA-N 262.397 3.590 30 20 CHED Cc1ccc(C)c2sc(NC(=O)c3ccc(C#N)o3)nc12 815535593 SNVKENZTULEGEH-UHFFFAOYSA-N 297.339 3.630 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NCc1cc(C#N)n(C)c1 480341553 JEJQQPGHCKEQBY-ZIAGYGMSSA-N 273.424 3.591 30 20 CHED CC(C)(CC(=O)OCc1cc(F)ccc1C#N)C1CC1 815469328 GPXFFJMDTHFTNK-UHFFFAOYSA-N 275.323 3.567 30 20 CHED C=CCCCC(=O)NC1(C(F)(F)F)CCCCC1 480835666 BVICYFZNYOENTN-UHFFFAOYSA-N 263.303 3.724 30 20 CHED CC(C)(CCC#N)CNC(=O)NCCCC1CCCCC1 480545140 ZYTUYUPVAXGPLT-UHFFFAOYSA-N 293.455 3.976 30 20 CHED C=CCOCCNC1(c2ccc(Cl)c(Cl)c2)CC1 573628085 FUNFPTLHDOTEDC-UHFFFAOYSA-N 286.202 3.775 30 20 CHED COC[C@@H](N[C@@H](C)c1ccc(C#N)cc1Cl)C(C)C 574353427 IOSSSMJYSPIPFM-XHDPSFHLSA-N 280.799 3.533 30 20 CHED COc1cccc(C(C)=NNc2ncnc3sccc23)c1 725818238 GYAQRONWCJFROT-UHFFFAOYSA-N 298.371 3.536 30 20 CHED C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1F 903335335 NZKUYMTXDDXWFM-KZULUSFZSA-N 295.361 3.894 30 20 CHED C=C1CCN(Cc2cccc(OC3CC3)c2F)CC1 667601691 JIVYAXNMVRZFRJ-UHFFFAOYSA-N 261.340 3.519 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(CC)cc2)c1 730977724 NLGRURFWNMTHFP-UHFFFAOYSA-N 279.339 3.513 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccsc1C(F)F 904179214 DWOMXYBJEFGXIN-ZDUSSCGKSA-N 286.347 3.744 30 20 CHED CC[C@H]1CCCN(Cc2ccc(OCC#N)cc2)CC1 735310727 CVVSCUWSBHJOFF-HNNXBMFYSA-N 272.392 3.601 30 20 CHED CC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 585740212 NGFUTFBFTJOTDM-MRXNPFEDSA-N 288.366 3.786 30 20 CHED CC(=NNc1cccnn1)c1ccc(SC(F)F)cc1 735975205 VYSJCPXFPOYPBK-UHFFFAOYSA-N 294.330 3.627 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC(F)(F)C(F)F 736621799 QZOVXMWGCRNKAZ-UHFFFAOYSA-N 288.288 3.671 30 20 CHED CCOc1ccccc1[C@H](CC)NC(=O)C#CC(C)(C)C 837384722 OZEOFEDIYKKKNW-HNNXBMFYSA-N 287.403 3.702 30 20 CHED CCCCCCCC(=O)NCCN1CCCC[C@@H]1CC 733274058 QRWQHLIDPYYWEG-INIZCTEOSA-N 282.472 3.728 30 20 CHED C#CCC[C@@H](C)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 839042390 KXTPUUWQEWXQEL-CYBMUJFWSA-N 296.370 3.652 30 20 CHED C=C(Cl)CNC(=O)N(CC)Cc1ccc(Cl)cc1 736399047 NLEVMGFSCLSWSH-UHFFFAOYSA-N 287.190 3.624 30 20 CHED N#CC[C@H](Cc1nc(C2CCC2)no1)c1ccccc1 589090242 LFDQVUKDYGXQSG-CQSZACIVSA-N 267.332 3.577 30 20 CHED C[C@@H]1CC=C(C(=O)OC[C@H](C#N)Cc2cccs2)CC1 835261186 QXLXSVHMFSYQJC-OLZOCXBDSA-N 289.400 3.720 30 20 CHED Cc1csc(NC(=O)[C@@H](C)Cc2ccccc2)c1C#N 584434776 DHIISJFFPNWKGQ-NSHDSACASA-N 284.384 3.746 30 20 CHED CC(C)CC(C)(C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839057138 WMQVNTKVTOBUIO-CHWSQXEVSA-N 251.370 3.684 30 20 CHED C=CCCCCOC(=O)c1cccc(C(F)(F)F)n1 835450391 VONQAYXWQCKBSZ-UHFFFAOYSA-N 273.254 3.614 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(CCC#N)C(C)C 581772816 BQQACGLQJSQRGQ-HNNXBMFYSA-N 264.413 3.744 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)n2)C1 904108374 KMPXLTDMWSAMFD-ZIAGYGMSSA-N 297.314 3.683 30 20 CHED CCOC1CC(COc2ccc(C(F)(F)F)c(C#N)c2)C1 589268977 CGMKCJCLPHLYCX-UHFFFAOYSA-N 299.292 3.771 30 20 CHED C=C[C@@H](C)NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C 674956948 OPQXUQHRWBPUGZ-LLVKDONJSA-N 299.370 3.567 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cccc(F)c2F)s1 588386943 SORYVLISTRHHAT-SREVYHEPSA-N 275.279 3.794 30 20 CHED C=C[C@@H](CC(=O)N1CCC(CCC#N)CC1)c1ccccc1 584722491 JKXLZRKNKHUPDH-KRWDZBQOSA-N 296.414 3.889 30 20 CHED CC1(C)OCC[C@H]1NN=C1CC(c2ccc(Cl)cc2)C1 835015818 GIOVJWPJMFCFOA-WPZCJLIBSA-N 292.810 3.731 30 20 CHED N#CCCCOC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 835266352 ZEZSDNNOUDMNJS-HZPDHXFCSA-N 271.360 3.807 30 20 CHED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C#CC1CC1 837333049 DDTMTWNYKDRCMV-LLVKDONJSA-N 295.304 3.638 30 20 CHED CC[C@H](C#N)C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 593739227 XCWNRQKNOGJKHS-DJIMGWMZSA-N 284.403 3.626 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCc1cccs1 748934629 VNNYZHYSSGCWDK-UHFFFAOYSA-N 285.368 3.604 30 20 CHED COCCCOc1cccc(C=NNc2ccc(C)cc2)c1 746485158 SAIGUOCQHJGBTL-UHFFFAOYSA-N 298.386 3.856 30 20 CHED N#CCC[C@@H](NC(=O)N1C[C@@H]2CCCC[C@@H]21)c1ccccc1 596504935 RADZBCJPLUMOFK-BBWFWOEESA-N 297.402 3.615 30 20 CHED N#CC1(CC(=O)N2CC[C@@H](C3CCCC3)C2)CCCCC1 597788832 OZTXVHLPSZFKMT-MRXNPFEDSA-N 288.435 3.889 30 20 CHED Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H](C#N)C1)C(C)C 918143685 CXNDXPPALBPNMJ-WBVHZDCISA-N 299.418 3.637 30 20 CHED Cc1nc(C=NNc2ccc(Cl)cc2)cs1 916246696 IMCQMGLUIXWCMJ-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CCCCNN=C(C)c1sccc1Br 915970097 XPERCPKPVNBKIG-UHFFFAOYSA-N 275.215 3.624 30 20 CHED CC(CCCCC#N)=NNc1cnnc2ccccc12 841627056 WMAKGVZUCGITHB-UHFFFAOYSA-N 267.336 3.502 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CCc2ccc(F)cc21 748269428 NXXJMBRRSWYWBL-GOSISDBHSA-N 295.357 3.615 30 20 CHED C=CCN(CC1CCCCC1)CN1C[C@@H](CCC)CC1=O 743364388 NTFGZGLUAAYUPD-KRWDZBQOSA-N 292.467 3.661 30 20 CHED N#C[C@H](C(=O)CCC(F)(F)F)c1nc(C2CC2)cs1 842940304 AZCIZZRHLVIWCU-MRVPVSSYSA-N 288.294 3.539 30 20 CHED CCN(CCC#N)Cc1ccc(Oc2ccc(F)cc2)nc1 596983345 WKTVNRDIWICHRP-UHFFFAOYSA-N 299.349 3.749 30 20 CHED CCC[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 912077853 LQOZQVCBRZJLDR-CJNGLKHVSA-N 285.391 3.593 30 20 CHED C/C=C/C(=O)Nc1nnc(CCCCCCCC)s1 912912546 DJBKWSNTKSACHP-ONNFQVAWSA-N 281.425 3.956 30 20 CHED C[C@@H]1CN(CC2(C#N)CC2)CCc2ccc(Cl)cc21 593065540 DKGDMJSABAPQKU-GFCCVEGCSA-N 274.795 3.605 30 20 CHED CCN(Cc1occc1C)c1nc(Cl)c(C#N)s1 840378223 RBGSENNWDSBZAT-UHFFFAOYSA-N 281.768 3.596 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1sccc1C 678860023 CTOFHDWIPKCTSJ-CYBMUJFWSA-N 280.437 3.943 30 20 CHED COc1ccc2c(c1)C(=NOCc1ccccc1)CCC2 741847475 LWBJPURIFIJCNF-UHFFFAOYSA-N 281.355 3.952 30 20 CHED N#C[C@H](C(=O)C1CCC1)c1nc2cc(Cl)ccc2s1 917045097 XHOMIGMCIJDFNC-SNVBAGLBSA-N 290.775 3.926 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 749589398 KSZKWWOXJUBXCM-MVTUOISNSA-N 295.294 3.753 30 20 CHED CSCC1CCC(NCCc2ccc(C#N)cc2)CC1 595055255 BSEUTUSECYPMTH-UHFFFAOYSA-N 288.460 3.612 30 20 CHED CC(C)n1ccnc1CN[C@@H]1CCCc2cc(C#N)ccc21 594951158 SBVXANINFKAGSF-QGZVFWFLSA-N 294.402 3.503 30 20 CHED C/C(=C\C(=O)N(C)Cc1cccc(C#N)c1)C(C)(C)C 742529623 YXFRWQWJIXGZEL-UKTHLTGXSA-N 270.376 3.509 30 20 CHED CC[C@H](CCc1ccccc1)NCC(C)(C)CC#N 599049651 QSJKZHYEFZQJAF-MRXNPFEDSA-N 258.409 3.927 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)[C@@H](C#N)CC 593391623 AVRBGQDRJUJTBO-GFCCVEGCSA-N 284.359 3.503 30 20 CHED CCCCCCCC(=O)OCc1csc(NC(C)=O)n1 919222160 LFWSTPMCOOORSZ-UHFFFAOYSA-N 298.408 3.505 30 20 CHED CCCCCCCC(=O)Nc1cc(C(F)(F)F)no1 747986083 JKBXCKICVGYUGT-UHFFFAOYSA-N 278.274 3.992 30 20 CHED FC1(F)CC(CON=Cc2ccc(Cl)cc2)C1 842018436 WZUAOJSHODFVOM-UHFFFAOYSA-N 259.683 3.736 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1csc(C)n1 747642407 OSXVOSRQJBJYRL-UHFFFAOYSA-N 285.294 3.705 30 20 CHED C=CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 746047905 SSHXEWXMTVIIFP-GUYCJALGSA-N 297.358 3.958 30 20 CHED Cc1cc(C(=O)/C=C\c2ccnn2CC2CC2)cc(C)c1F 849245558 SOMVLEZCRQWCDM-WAYWQWQTSA-N 298.361 3.945 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1NC(=O)CC1(C#N)CCCCC1 597811866 IWZLZDLCGPTLHH-DLBZAZTESA-N 296.414 3.831 30 20 CHED Cc1cccc2c(N3CCC[C@H](CC#N)C3)c(C#N)cnc12 596330947 PRXKWYMNRNOOTA-CQSZACIVSA-N 290.370 3.545 30 20 CHED C=C(C)CNC(c1cccc(OC)c1)c1cccc(OC)c1 748444951 WDJHWPWHJKSGLD-UHFFFAOYSA-N 297.398 3.959 30 20 CHED C=C(C)CCOC(=O)c1ccc(-n2nc(C)cc2C)cc1 744304340 MDUOWVRSJYVFRY-UHFFFAOYSA-N 284.359 3.612 30 20 CHED CCCCCCCCOCC(=O)N1CCC[C@H]1C1CC1 741681950 MVBGLYVMMMEUCV-INIZCTEOSA-N 281.440 3.765 30 20 CHED N#Cc1csc(C=NNc2cccc(Cl)c2)c1 748075586 VKZGBNLQTRZBIU-UHFFFAOYSA-N 261.737 3.719 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1snc(Cl)c1C#N 742413598 FFDKXGQERYVASX-BXUZGUMPSA-N 289.791 3.810 30 20 CHED Cc1ccc(CCC/N=C\c2cccc(O)c2O)c(C)c1 743341660 QCQZNMPYOSZORU-UNOMPAQXSA-N 283.371 3.766 30 20 CHED Cc1ccc(CC/N=C\c2ccccc2O)c(C)c1 920864361 VDVDECOVOJFFPC-PDGQHHTCSA-N 253.345 3.671 30 20 CHED CCCCCCCCCC(=O)NC(C)(C)c1cnn(C)c1 741613824 FASSSXMRKOPHLP-UHFFFAOYSA-N 293.455 3.912 30 20 CHED Cc1cccn2c(/C=C3/Cc4c(F)cccc4C3=O)cnc12 741468389 SIIUCUYIUPNMMV-WQLSENKSSA-N 292.313 3.604 30 20 CHED COCCOc1ccc(F)cc1N[C@@H](C)CC(C)(C)C#N 926069950 QLPGJVUJBOHSGE-LBPRGKRZSA-N 294.370 3.591 30 20 CHED FC(F)CON=CCCCCOc1ccccc1 758902708 IPZSEVKNUZRVEE-UHFFFAOYSA-N 257.280 3.503 30 20 CHED C#C[C@@H](CC)NC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 753260136 VNASUAXJICPQMB-SFHVURJKSA-N 296.414 3.514 30 20 CHED COc1ccc(NN=Cc2c(C)cccc2C)c([N+](=O)[O-])c1 755802172 LHYVSGPVVBHJLR-UHFFFAOYSA-N 299.330 3.666 30 20 CHED C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)c(F)c1 850543323 HTAVKFQCSCNWON-BBATYDOGSA-N 296.345 3.741 30 20 CHED C#CCOCCN[C@@H](Cc1ccccc1)c1sccc1C 753767703 LWIKDMKJVPBRSI-KRWDZBQOSA-N 299.439 3.580 30 20 CHED Cc1ccc(NC(=O)c2ccccc2SCC#N)c(C)n1 755620845 LNQDZWNGQVOOQP-UHFFFAOYSA-N 297.383 3.566 30 20 CHED CCn1nccc1/C=C1/CCCc2ccccc2C1=O 753712528 BADDLIFVZFQIDB-OWBHPGMISA-N 266.344 3.506 30 20 CHED Cc1cc(F)ccc1C=NN[C@@H](C)c1ccccc1 750935477 AEERODGXZCXIEX-ZDUSSCGKSA-N 256.324 3.819 30 20 CHED CC(C)c1occc1C(=O)O[C@@H](C)CC(C)(C)C#N 851204796 UYRBNWBUPRAFSW-NSHDSACASA-N 263.337 3.888 30 20 CHED CC(=NNc1cc(C)ccc1F)c1cncc(F)c1 759652549 KFVNOCDFHAQEEQ-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C=CCN(C(=O)/C=C/c1ccc2[nH]ccc2c1)C(C)(C)C 857650715 FAPLOLIGTYILRR-VQHVLOKHSA-N 282.387 3.994 30 20 CHED C=CCc1cc(OCC)cc(CN2CCC[C@H]2C)c1O 751935607 WZBAIIBAGPYROL-CYBMUJFWSA-N 275.392 3.504 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(F)cc1C)C2=O 759665031 NOJSOUUZXTWDED-UKTHLTGXSA-N 282.314 3.965 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NNc1cccc(F)c1 755663287 VFIIGSWWVZOPHW-UHFFFAOYSA-N 294.333 3.766 30 20 CHED CC[C@](C)(C#N)NC(=O)/C(C)=C\c1ccccc1Cl 755813372 FAZDCNGZMDWVFS-ZHUYAKLQSA-N 276.767 3.552 30 20 CHED C=C1CCN(C(=O)Nc2nc(C(C)C)c(C)s2)CC1 931885708 LDWFEIACIUGLAJ-UHFFFAOYSA-N 279.409 3.759 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccco1 863926344 WGWZVCDTDYNSSU-GVDBMIGSSA-N 295.382 3.687 30 20 CHED C#CCN(C(=O)Nc1cc(SC)ccc1C)C(C)C 930718912 TYBHNHXQDVPGEU-UHFFFAOYSA-N 276.405 3.592 30 20 CHED C[C@@H](C=NN1CCc2ccccc2C1=O)c1ccc(F)cc1 769597093 DNXNSZFMSJFVPT-ZDUSSCGKSA-N 296.345 3.614 30 20 CHED CC(=NNc1cccc(C)n1)c1ccc(C)c(C)c1O 863159893 IJLUNPOXWSOGLV-UHFFFAOYSA-N 269.348 3.549 30 20 CHED Cc1nc(C)c(C)c(Nc2cccc(OCCCC#N)c2)n1 761884815 WXHYABKPTYTUGU-UHFFFAOYSA-N 296.374 3.828 30 20 CHED C=C(C)C[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)O 864530075 RRHCUUIXFJNOES-GFCCVEGCSA-N 288.174 3.502 30 20 CHED O=C1CCCN1N=Cc1c(Cl)ccc(Cl)c1Cl 769592247 CTRQDODLZQZNFJ-UHFFFAOYSA-N 291.565 3.603 30 20 CHED CN(C)c1ccc(NCC(C)(C)CCC#N)cc1F 865865582 SRUZHSUSRQWEFM-UHFFFAOYSA-N 263.360 3.634 30 20 CHED C#CCCCOc1ccc(Br)cc1C(=O)CC 766274731 FPGIHCHKTFWIEM-UHFFFAOYSA-N 295.176 3.834 30 20 CHED CCCCCCCCNC(=O)N[C@H](C)c1ccc[nH]1 760331246 UXTITGQOUKRMTM-CYBMUJFWSA-N 265.401 3.735 30 20 CHED CC(C)c1ncc(C=NNCCc2ccccc2F)s1 764720517 CTQWGFWGSZCQHD-UHFFFAOYSA-N 291.395 3.572 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)OC(C)(C)C#N 860606654 WDBQDDOYQZQQST-UHFFFAOYSA-N 269.300 3.714 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccccc2[N+](=O)[O-])C1 768357085 HLMVQHHFGMLKPX-NWDGAFQWSA-N 261.325 3.819 30 20 CHED Cc1cc(CNCc2c(C)cccc2F)ccc1C#N 767688252 BXUVIYFIRUOUQC-UHFFFAOYSA-N 268.335 3.604 30 20 CHED C#C[C@@H](C)N(C)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 767236397 DGVZONDJLGMPAA-ZBKGVPMPSA-N 287.447 3.853 30 20 CHED CCC[C@@H](C=Nn1c(S)nnc1CC)c1ccccc1 769566917 KFOKOJCQPNNPSR-ZDUSSCGKSA-N 288.420 3.547 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C1CCCC1 767982455 LLZMAGVXVXCSBZ-UHFFFAOYSA-N 271.360 3.721 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1ncnc2ccsc12 764835411 LPBRBVFNISTBDK-SNVBAGLBSA-N 294.383 3.700 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 763198414 QIXDPFNQQHAIKP-ZDUSSCGKSA-N 294.443 3.856 30 20 CHED O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccco1 769771590 QXINYUNSDPHVRJ-CMDGGOBGSA-N 276.295 3.633 30 20 CHED Cc1n[nH]c(C)c1/C=C1\Cc2ccc(Cl)cc2C1=O 762447611 QKDPZSDOTHQWPR-IZZDOVSWSA-N 272.735 3.502 30 20 CHED CC(C)Oc1ccccc1C=NNc1cccc(C#N)c1 767335171 AKUUIDLTGSTMEI-UHFFFAOYSA-N 279.343 3.791 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](CC(F)(F)F)C(C)C 879667432 QDCKNWNTNOHWQN-JTQLQIEISA-N 265.319 3.682 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1cccc(CC#N)n1 1116636513 OKIVTRLHHDEUSM-MRXNPFEDSA-N 263.344 3.556 30 20 CHED CC(C)c1ccc(-c2nnc(-c3cccc(C#N)c3)o2)cn1 1118070845 RMZAWPKHMBQUOR-UHFFFAOYSA-N 290.326 3.794 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2coc(-c3ccccc3)n2)C1 1116807827 VYWYYFPGNNJESD-GDBMZVCRSA-N 295.386 3.556 30 20 CHED CC(C)[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H](C#N)C1 779051372 GYBHFECQOFNOLE-ZACQAIPSSA-N 256.393 3.536 30 20 CHED N#C[C@@H](OC(=O)[C@@H](F)Cc1ccccc1)C1CCCCC1 778199832 RLFYYTGMARUBJK-JKSUJKDBSA-N 289.350 3.583 30 20 CHED C=CCCN(C)c1ccc([S@](=N)(=O)C(F)(F)F)cc1 882240107 UOWYAVLKENOJPL-IBGZPJMESA-N 292.326 3.624 30 20 CHED FC(F)(F)c1ccc(NN=C2CCCOCC2)cc1 770607103 FYMKEVUNGGKUMY-UHFFFAOYSA-N 272.270 3.674 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc([N+](=O)[O-])cc1F)C2=O 777915933 BNSAVFLMHYJWCU-QPEQYQDCSA-N 297.285 3.865 30 20 CHED O=C(/C=C/c1ccc(F)cc1Cl)c1cscn1 776190542 AGPZJOJKEOFNHA-DUXPYHPUSA-N 267.712 3.832 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NNCCC(C)(C)C 782903061 OBZHWTAXRMOZAM-UHFFFAOYSA-N 298.434 3.849 30 20 CHED CCc1cccc(Cl)c1/C=C\C(=O)c1cnn(C)c1 788733988 RONBYSCXNBZWRH-FPLPWBNLSA-N 274.751 3.532 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc2c(=O)[nH]ccc2c1 789075879 DMGNSFBOBVLIPN-LLVKDONJSA-N 283.375 3.752 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)Cc2ccccc2)c1 786055324 AKZRTAHFAKGRNQ-AWEZNQCLSA-N 294.423 3.586 30 20 CHED C=C(Cl)CNc1ccc(C#N)c(C(F)(F)F)c1 80119710 XUDKPYXXLYYVCD-UHFFFAOYSA-N 260.646 3.741 30 20 CHED CC1(C)CC[C@@H](C(=O)O[C@H](C#N)C2CCCCC2)C1 781698935 SVPCJBRAVMFWGP-ZIAGYGMSSA-N 263.381 3.828 30 20 CHED COC[C@@H](C)NN=C(C)c1ccccc1SC(C)(C)C 788439755 XAPFNCXSKBEDDB-GFCCVEGCSA-N 294.464 3.926 30 20 CHED S=C(NN=C1CCC12CCCC2)Nc1ccccc1 788700383 VLGPHOWWPAILAS-UHFFFAOYSA-N 273.405 3.683 30 20 CHED C=C1CCN(C(=O)CCCCc2ccccc2)CC1 896181744 NYAGKPSVGFQZCO-UHFFFAOYSA-N 257.377 3.578 30 20 CHED Fc1ccc(C=NNC2CCCCC2)c(Br)c1 786040710 QRAOBUKHAMCDGT-UHFFFAOYSA-N 299.187 3.844 30 20 CHED Cc1ncc(N[C@H]2CC[C@@H](C#N)C2)c(C)c1Br 896665560 IYQRBBRHUSIDCS-MNOVXSKESA-N 294.196 3.565 30 20 CHED Cc1cc(C)cc(C2CCN(C(=O)CCCC#N)CC2)c1 891290923 ADNAKSGADBKVOI-UHFFFAOYSA-N 284.403 3.703 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2ccncc2CC)CCCCC1 788238867 VDCZHIJYYCIBEX-OAHLLOKOSA-N 298.430 3.795 30 20 CHED COC1(C=NNc2ncnc(Cl)c2C(C)C)CCCC1 797404598 QRWXMFOOTZHPNX-UHFFFAOYSA-N 296.802 3.610 30 20 CHED CCCCCCCCC[S@@](=O)Cc1cc(C)n(C)n1 790140218 QHUINSYYPALPQD-LJQANCHMSA-N 284.469 3.728 30 20 CHED CCc1cccc2c1OC/C(=C/c1c(C)noc1C)C2=O 794728878 WSDPGESVDFNTME-JYRVWZFOSA-N 283.327 3.513 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1sccc1Cl 797160722 MIEHKILNYCJMIR-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C=CCC1(C(=O)N2CCc3c(C)cccc3C2)CCC1 790591110 PQHHAVAOQDJDAN-UHFFFAOYSA-N 269.388 3.626 30 20 CHED CC1(CNC(=O)Nc2ccc(C#N)cc2)CCCCC1 554918439 JBTCGSLYHSVLFC-UHFFFAOYSA-N 271.364 3.650 30 20 CHED CC(C)c1ccoc1C(=O)OCCOc1cccc(C#N)c1 792618315 ZNPHIVTUEFXOKM-UHFFFAOYSA-N 299.326 3.510 30 20 CHED C=C1CC(c2noc(-c3cccnc3C(F)(F)F)n2)C1 896885061 WTCSBEBGMONESS-UHFFFAOYSA-N 281.237 3.584 30 20 CHED CCCCCCCCCN[C@@H](C)c1nc(C)no1 792289943 WLSNRQYIIVWALI-LBPRGKRZSA-N 253.390 3.779 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCSCC1 797404124 HAWNWRLIIRFISX-UHFFFAOYSA-N 284.816 3.548 30 20 CHED Cc1ccc(C(=O)N2CCC=Cc3ccccc32)cc1C#N 799371265 GFQZTAHDJUHCQL-UHFFFAOYSA-N 288.350 3.930 30 20 CHED O=C(/C=C/c1csc2ccccc12)c1ccnc(O)c1 791433146 QOIBUAUMNCBKHH-AATRIKPKSA-N 281.336 3.898 30 20 CHED C=CCOc1ccc(OC(=O)c2c(C)nsc2C)cc1 796933419 LLGWAWNDNAJPMP-UHFFFAOYSA-N 289.356 3.544 30 20 CHED C=CC[C@H](C(=O)OCC1(OC)CCCC1)c1ccccc1 791453504 WEVMHWQISDIVJI-INIZCTEOSA-N 288.387 3.849 30 20 CHED CCC(=NNc1ncncc1Cl)c1cccc(C)c1 794932929 LVGGCLCKFLMHFE-UHFFFAOYSA-N 274.755 3.665 30 20 CHED C[C@H](OC(=O)CCCOC(C)(C)C)c1cccc(C#N)c1 796961672 IGEROHABDQZCEL-ZDUSSCGKSA-N 289.375 3.758 30 20 CHED O=C(/C=C/c1cc(F)cc(Cl)c1)c1ccnc(F)c1 794722355 PCNUZJVLOIJMQF-OWOJBTEDSA-N 279.673 3.909 30 20 CHED C=CCCCCCN1CCC[C@@H]1c1cn(C)nc1C 683781542 CGSCSYYXDKLLJY-MRXNPFEDSA-N 261.413 3.612 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@](O)(CC)C1 779334695 BZZZMZDCRWQVIC-QGZVFWFLSA-N 283.456 3.891 30 20 CHED C#Cc1ccc(CNc2cccc(Cl)c2OC)cc1 787773258 PMVDEPNGIWSARY-UHFFFAOYSA-N 271.747 3.942 30 20 CHED COc1cccc(CSc2nc(C#N)c(Cl)s2)c1 1306944505 AFMYZQVVLIGMPB-UHFFFAOYSA-N 296.804 3.969 30 20 CHED C[C@@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)n2)CC1 1163076498 SKWYJGYNWFVVQI-MNOVXSKESA-N 263.772 3.987 30 20 CHED Cc1cc(CN[C@H]2CCCCC2(C)C)ccc1C#N 1655836531 NQYNQAPWLBVTFO-INIZCTEOSA-N 256.393 3.925 30 20 CHED Cc1nsc(N[C@H]2C[C@H]2C2CCCCC2)c1C#N 1612050899 QWCYRBFOWAFWHH-AAEUAGOBSA-N 261.394 3.704 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cn(C)cc1C(F)(F)F 1325327166 DNTKSGCRNHMWNL-SNVBAGLBSA-N 288.313 3.519 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)n1cccc1 1321193334 KWVHFJVABIDCJA-MRXNPFEDSA-N 282.387 3.654 30 20 CHED N#CCCCCOC(=O)c1[nH]ccc1-c1ccccc1 1324677688 CVVLWXRZYOUTEU-UHFFFAOYSA-N 268.316 3.532 30 20 CHED C[C@@]1(CNc2cccc(CC#N)n2)CCCc2ccccc21 1320655594 AGDWQLIPOHDDDD-IBGZPJMESA-N 291.398 3.854 30 20 CHED C#CCCCCCc1nnc(CCc2ccccc2)o1 1330057688 VNAKGTZTAZSAIH-UHFFFAOYSA-N 268.360 3.591 30 20 CHED CC1(CC(=O)N(c2cccc(C#N)c2)C2CCC2)CC1 1331470163 YVNFEPTVKZAYFB-UHFFFAOYSA-N 268.360 3.634 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1ccc(Cl)cc1 1335995472 ZQLUFEUICBUUFD-NSHDSACASA-N 251.757 3.874 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccccc2)C1 1334780860 DHRWNCRIERZVKV-OAHLLOKOSA-N 287.403 3.659 30 20 CHED C=CCSc1ccccc1C(=O)N1CCCSC1 1262643542 VCWGHMQEPOCEHY-UHFFFAOYSA-N 279.430 3.501 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2ccc3ncsc3c2)c1 1264865212 HPTIBGILINGKIN-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)O[C@H](CC#N)c1ccco1 1347949587 ZETFJJNVLKLZFZ-XJKSGUPXSA-N 283.327 3.656 30 20 CHED C#CC[C@@H](C)OC(=O)/C=C/c1ccc2cc(OC)ccc2c1 1342559639 AYVOTNJOWUTSAU-DPQIITEBSA-N 294.350 3.817 30 20 CHED COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(C)s1 130271155 GCDVNSZMGDSUSN-LBPRGKRZSA-N 286.400 3.788 30 20 CHED Cc1ccc(NC(=O)/C=C/c2ccccc2C#N)c(Cl)n1 1355129729 JYWBBNYDNFZIQM-VQHVLOKHSA-N 297.745 3.567 30 20 CHED N#C[C@H](C(=O)c1ccc(C(F)F)cc1)c1cccc(F)n1 1516711460 UQHKJLLGBSNMAN-NSHDSACASA-N 290.244 3.648 30 20 CHED N#CC[C@H](C(=O)N[C@H]1CC12CCCCC2)c1ccccc1 1520889929 RDKYSECGYSNKHH-HOTGVXAUSA-N 282.387 3.523 30 20 CHED N#Cc1c(F)cccc1SCc1ccsc1C(=O)O 1601082537 BNLXIDFERHXULW-UHFFFAOYSA-N 293.344 3.749 30 20 CHED CC(C)CC(C)(C)CNC(=O)Nc1cc(C#N)ccc1F 1466788875 PUROCJAGHCAOHB-UHFFFAOYSA-N 291.370 3.891 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)[C@H](CC#N)c1ccccc1 1538411265 NNHMCFTWGGNFEQ-HLLBOEOZSA-N 284.403 3.721 30 20 CHED CCc1ccc(CN(CC(C)C)c2ccnc(C#N)n2)cc1 1472813391 TZEJZWOMJHCCQT-UHFFFAOYSA-N 294.402 3.573 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@H]1Nc1cncc(C#N)n1 1612231163 IBCGGARXLFONIY-YJBOKZPZSA-N 292.386 3.720 30 20 CHED Cc1ccnc(NC[C@@H]2CCC[C@@H](C)[C@H]2C)c1C#N 1612321948 NNBMVTFYJZUGHF-BNOWGMLFSA-N 257.381 3.746 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cccc(C#N)n1 1474559766 CLOCBULOMFXRHU-ZIAGYGMSSA-N 271.408 3.600 30 20 CHED CCC(CC)[C@@H](CCNc1cc(C)c(C#N)cn1)OC 1612161590 VOIZKOFYHYCZIE-OAHLLOKOSA-N 275.396 3.515 30 20 CHED CC(C)(CC(=O)COc1cc(Cl)cc(C#N)c1)C1CC1 1559420495 VJEGZLQBXTWTNX-UHFFFAOYSA-N 291.778 3.986 30 20 CHED Cc1csc(NC(=O)N[C@H](C)CC(C)(C)C)c1C#N 1624564758 ZPBALHBOEFYXNB-SNVBAGLBSA-N 279.409 3.874 30 20 CHED Cc1cc(=N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c(C#N)c[nH]1 1559179334 UERXQHPXNQFJJV-SAZUREKKSA-N 297.789 3.695 30 20 CHED CC(C)(CCc1ccccc1)NCC1(CC#N)CC1 229296507 ZKVONFQHJZOMQY-UHFFFAOYSA-N 256.393 3.681 30 20 CHED Cc1ccnc(NCC2(OC(C)C)CCCCC2)c1C#N 1639607612 WQBFWMDPOCJAFS-UHFFFAOYSA-N 287.407 3.802 30 20 CHED N#Cc1cc(Oc2cnc3ccc(Cl)cc3c2)ccn1 1639905660 WOYZZNXLKXHJDW-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CC(C)(C)OC(=O)n1cc(Cl)c2ccc(C#N)cc21 575436230 AATMIVDZZUWASH-UHFFFAOYSA-N 276.723 3.950 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(C)c(C)c1C(=O)O 1573348283 UUSRNBWPDPDJFC-LBPRGKRZSA-N 275.348 3.542 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1C[C@H]2CCC[C@H](C1)C2 1585351561 YDUQSIOLTFKCGL-HOTGVXAUSA-N 290.451 3.991 30 20 CHED COc1cccc(COc2c(C)cc(Cl)cc2C#N)n1 1652050946 TXBQZJUHMXGQAP-UHFFFAOYSA-N 288.734 3.503 30 20 CHED C[C@@H]1C(=NN2CCC(C(C)(C)C)CC2)CC[C@H]1CC(=O)O 1594120316 DYTKGHWWITYFKJ-STQMWFEESA-N 294.439 3.621 30 20 CHED CC(C)c1ccc(Nc2ccc(C(=O)O)nc2C#N)cc1 1591974076 MKSRAGNYAHKFIG-UHFFFAOYSA-N 281.315 3.518 30 20 CHED C=C(C)CN(CC)Cc1nnc(-c2ccccc2Cl)o1 248262000 WLIZJXBJRWGRSQ-UHFFFAOYSA-N 291.782 3.788 30 20 CHED N#CCCCOc1cccc(CN[C@H]2C=CCCC2)c1 151174550 SRQUPGHMRCHOQT-INIZCTEOSA-N 270.376 3.567 30 20 CHED Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1 155140463 QTXVOKXOPVPDKU-NWDGAFQWSA-N 283.375 3.617 30 20 CHED CCCN(Cc1ccc(N(C)CCC#N)cc1)CC1CC1 154696699 RUPUSUIQOMPEMF-UHFFFAOYSA-N 285.435 3.658 30 20 CHED COc1ccc(CNc2ccc3nc(C)oc3c2)cc1C#N 159005282 YSYQDMKFUNEMMT-UHFFFAOYSA-N 293.326 3.629 30 20 CHED CCOC(C)(C)CNc1cccc(Br)c1C#N 159445208 VRMGQJZDNWBYSW-UHFFFAOYSA-N 297.196 3.548 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1cccc(C#N)c1 1197550131 OAVGMTFPSBEUMI-WBMJQRKESA-N 271.364 3.649 30 20 CHED C=C(CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 148019217 PMTLVERZPAOYOX-HNNXBMFYSA-N 262.356 3.922 30 20 CHED Cc1cc(C(=O)Nc2ccc(CC#N)cc2)sc1C 26384116 BAEHOTTZGRCACN-UHFFFAOYSA-N 270.357 3.683 30 20 CHED C#Cc1cccc(NCc2cc(Cl)c3c(c2)OCO3)c1 37324466 USALKJILZSADQD-UHFFFAOYSA-N 285.730 3.662 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CC1=CCCCC1 170948150 KUOIUZBCSRYUSJ-UHFFFAOYSA-N 254.333 3.696 30 20 CHED C[C@@H](c1ccncc1)N(C)CCCCC(C)(C)C#N 277800891 UEGSHTHHKUCRPQ-AWEZNQCLSA-N 259.397 3.794 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(C)c(C)o1 279366526 RKQSOFSJDQVDIX-UHFFFAOYSA-N 270.376 3.870 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc2ccccc12 54178216 MLOUXJODNNGOKO-CYBMUJFWSA-N 267.332 3.654 30 20 CHED Cc1cc([C@H](C)NCc2ccc(F)c(C#N)c2)c(C)o1 183830058 ROICTQXVWBQJPS-NSHDSACASA-N 272.323 3.758 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](C)[C@@H](C)CC 502780743 HBGRVISBASPTKH-LSDHHAIUSA-N 259.393 3.883 30 20 CHED CC1(C(=O)Nc2ccc(C#N)c(F)c2)CCCCC1 307959568 JIXSREFCEKGHIW-UHFFFAOYSA-N 260.312 3.606 30 20 CHED C=CC(C)(C)CNCc1ccc(OC(F)F)cc1 385249167 WTGPEWPSOBDHCU-UHFFFAOYSA-N 255.308 3.590 30 20 CHED CC(C)CC1(C(=O)N2CCC[C@@H](CC#N)C2)CCCC1 397571089 DNQXJJJADAGJMT-HNNXBMFYSA-N 276.424 3.745 30 20 CHED C[C@H](CC(=O)Nc1sccc1C#N)c1ccccc1F 102600983 VOIKGJLEININDC-SNVBAGLBSA-N 288.347 3.891 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)OC2CCCCC2)c1 119542141 JKPRKRYKFZJEIS-KRWDZBQOSA-N 285.387 3.734 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C)ccc1C 109329494 SFYDZVYZRYPWDI-UHFFFAOYSA-N 295.357 3.718 30 20 CHED N#CC1(COc2ccccc2OC(F)(F)F)CCC1 418954967 XCDNCOQGYDIORI-UHFFFAOYSA-N 271.238 3.658 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H](C)c1ccc(CC)cc1 119124359 CVCJOKMEIURUDK-KGLIPLIRSA-N 259.393 3.823 30 20 CHED C=CCOc1cccc(NC(=O)CC[C@H]2CC[C@H](C)O2)c1 175668607 ZDXAXRBJJZWEKF-DZGCQCFKSA-N 289.375 3.538 30 20 CHED Cc1cccc(CCC(=O)Nc2ccc(F)c(C#N)c2)c1 51967921 HMPKDAXXSBTFJP-UHFFFAOYSA-N 282.318 3.577 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCC1CCC1 176503350 PTCUBDKOGRUYSG-UHFFFAOYSA-N 264.413 3.745 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H](C)C1(C)CC1 178542041 FVEWUPYBOVVSMX-LBPRGKRZSA-N 271.364 3.519 30 20 CHED C=CCOC(=O)c1cc(-c2cccnc2)nc2ccccc12 118982907 CPOJKNXHFIBVCZ-UHFFFAOYSA-N 290.322 3.640 30 20 CHED CC(C)C[C@H]1CCCN1c1ccc(Cl)c(C#N)n1 301502517 FMXUNGVZHBWDNY-LLVKDONJSA-N 263.772 3.622 30 20 CHED CSc1ccc(CNc2c(C#N)cccc2C#N)cc1 302840135 LGSQOCCVIMFISN-UHFFFAOYSA-N 279.368 3.764 30 20 CHED CCOc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1 112371195 OJFBLBBAAMICDY-CQSZACIVSA-N 296.370 3.988 30 20 CHED C#CCCCNc1cccc(Br)c1Cl 306525888 RVHJDDOLESUOHD-UHFFFAOYSA-N 272.573 3.928 30 20 CHED Cc1ccc(-c2noc(C3(C#N)CCCCC3)n2)cc1 177730321 YMDUCNPYTKOMNR-UHFFFAOYSA-N 267.332 3.771 30 20 CHED CCN(C(=O)c1cc(F)cc(F)c1)c1ccc(C#N)cc1 174070161 VYXYSEBOENOURB-UHFFFAOYSA-N 286.281 3.503 30 20 CHED CCc1cccc(N/C(N)=N/CCc2ccccc2C)c1 303768342 AHSGHESQWSSCJE-UHFFFAOYSA-N 281.403 3.527 30 20 CHED N#CCC1(CNC(=O)Nc2cccc3ccccc23)CC1 404220385 KBHJUQGCVHRFSN-UHFFFAOYSA-N 279.343 3.655 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1cc(F)ccc1F 120215428 LWMXDGNYMYABCO-QWRGUYRKSA-N 284.302 3.550 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)c1ccccc1 125853273 FQSKJLPGDVCYMY-HNNXBMFYSA-N 259.393 3.995 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3C[C@H]4CC[C@H]3C4)c2c1 301346298 HKYQVFQAJWHHHG-ZFWWWQNUSA-N 277.371 3.712 30 20 CHED CC(C)C[C@H]1OCCC[C@H]1Nc1c(F)cc(C#N)cc1F 302459217 OTAKHBCGDCZTIX-HUUCEWRRSA-N 294.345 3.842 30 20 CHED N#Cc1ccc(NCC2(c3ccc(F)cc3)CCC2)cn1 301511046 KNTVBJBMSFNLAN-UHFFFAOYSA-N 281.334 3.626 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1coc2cc(C)c(C)cc12 184303330 BXZAMPDYHMGOAQ-NSHDSACASA-N 284.359 3.671 30 20 CHED CC#CCCCC(=O)Nc1ccc(OCC)c2cccnc12 186072642 WZCJPOXERRGFQG-UHFFFAOYSA-N 296.370 3.766 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(Cl)c1F 187911534 MDHNIWFTOONNKK-AWEZNQCLSA-N 285.746 3.646 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N(C)[C@@H](C)CC#N 129538851 DVGUSOPIZDAOBZ-ZKQHCESOSA-N 276.767 3.504 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@H](C)c1ccc(OC)cc1 188450343 BIVVAWCZFHKBNI-KSSFIOAISA-N 289.419 3.907 30 20 CHED N#CCCN[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 414450148 WMJIDMJVMTVKRX-UKRRQHHQSA-N 262.784 3.869 30 20 CHED CCOc1cccc(/C=N/[C@H](CC)c2ccncc2)c1O 125133947 KRVSGPXXWPRTNR-IYSPOMMRSA-N 284.359 3.756 30 20 CHED CCCCCCCN1CCC[C@@H](c2nc(C)no2)C1 172651720 GBZXULPDMMKNQW-CQSZACIVSA-N 265.401 3.528 30 20 CHED CC(C)(C)c1csc(NC(=O)C2CCC2)c1C#N 75297481 GXGABISFBROBPC-UHFFFAOYSA-N 262.378 3.656 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)c1cccc(F)c1 189940907 OOCFSWDRLBBFPF-CYBMUJFWSA-N 290.382 3.860 30 20 CHED C[C@H](CC(=O)N(CC#N)C1CCCC1)c1cccc(F)c1 78207604 ACFGETXDRGVVPS-CYBMUJFWSA-N 288.366 3.614 30 20 CHED C=CCC[C@H](C(=O)Nc1nnc(C)s1)c1ccccc1 186096389 GPSZNMMWNJTHEB-ZDUSSCGKSA-N 287.388 3.535 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N(C)[C@@H](C)C#N 410885962 YEECLRXLKPYQLH-DZGCQCFKSA-N 264.413 3.744 30 20 CHED CCc1ccc(Oc2ccc(C#N)c(C)n2)c([N+](=O)[O-])c1 314013641 OCJKDDXQRCKTLE-UHFFFAOYSA-N 283.287 3.525 30 20 CHED C#CCCCCC(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 180367754 KALKFUXUBTTZAI-UHFFFAOYSA-N 297.358 3.643 30 20 CHED N#CCc1ccc(NC(=O)NCCCc2ccccc2)cc1 76085359 WLAMMLIULTVZKA-UHFFFAOYSA-N 293.370 3.507 30 20 CHED C=C(C)CN(C)C(=O)[C@H](OC(C)(C)C)c1ccccc1 180413454 NATGPAZSDVYRDC-OAHLLOKOSA-N 275.392 3.577 30 20 CHED C=CCS[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 419412083 QMMVCVOSJJNIFP-SECBINFHSA-N 289.322 3.952 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cn(CC)c2ccccc12 410129322 YFABKJUNGRHHDU-CYBMUJFWSA-N 270.376 3.746 30 20 CHED C#CCCCOC(=O)c1ccc(C2SCCS2)cc1 126424890 VNOWPNRSVKMJHH-UHFFFAOYSA-N 292.425 3.735 30 20 CHED CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)C12CCCC2 315813161 ISCKFBMMCPOXKM-FHLIZLRMSA-N 298.430 3.947 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 180163871 YXRSXYWOQGXXOD-GOSISDBHSA-N 283.415 3.722 30 20 CHED C=CCOc1cccc(CN(C)[C@@H](C)c2ccncc2)c1 183704954 WTFRMOJKCJSMBC-HNNXBMFYSA-N 282.387 3.839 30 20 CHED C=CCCNc1ccc(C(=O)N(CC)CC)c(Cl)c1 77245168 OKRJSETUNTVDAQ-UHFFFAOYSA-N 280.799 3.810 30 20 CHED C=CCN(C(=O)[C@H]1CCO[C@@H](CCC)C1)c1ccccc1 182851456 FDOTVXLRTQTCMP-RDJZCZTQSA-N 287.403 3.801 30 20 CHED C=CCCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 505507485 RWPZJXWDHGYDGB-LLVKDONJSA-N 283.158 3.640 30 20 CHED N#CCC[C@@H](NCc1ccccc1O)c1ccccc1 130583513 RDCJVRZVQDWTTC-MRXNPFEDSA-N 266.344 3.527 30 20 CHED CC1=C(C(O)=Nc2ccc3c(c2F)CCN=C3O)CCC1 328905436 JZIRJUJPZZGFDK-UHFFFAOYSA-N 288.322 3.775 30 20 CHED CC(C)c1ncsc1C(=O)N(CCC#N)CC(C)(C)C 410466233 IDSUSDSZXAFXCV-UHFFFAOYSA-N 293.436 3.668 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#N)cc1 81175665 MPXOBXLEILBFLB-BBRMVZONSA-N 270.376 3.599 30 20 CHED C=CCCC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C 410366359 GXPBGGKWWSFPKK-IAQYHMDHSA-N 263.768 3.658 30 20 CHED N#Cc1ccc(CN(Cc2cccs2)C2CC2)s1 130256170 WZJDNDWJSDXDHH-UHFFFAOYSA-N 274.414 3.846 30 20 CHED CC1(C)CCC[C@H]1C/N=C(/O)c1ncoc1C1CC1 329343743 TXSAJELNQQLATA-NSHDSACASA-N 262.353 3.683 30 20 CHED C=C(C)[C@@H](NCCCCF)c1ccc(F)c(F)c1 509133952 CGYOJETWEGBBDN-CQSZACIVSA-N 257.299 3.921 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425132410 RBOCWDBBWYFWQO-ISTRZQFTSA-N 270.376 3.514 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1cc(C#N)cs1 84059999 UWMMLYZZTGTJHU-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CC[C@@H](C)N[C@H](Cc1ccncc1)c1cccs1 424281305 IKURKGOYRXLLMO-UKRRQHHQSA-N 272.417 3.981 30 20 CHED N#C[C@H](C(=O)c1ccoc1)c1nc(-c2ccccc2)cs1 41533425 ZHIHOFJODPTSAZ-CYBMUJFWSA-N 294.335 3.893 30 20 CHED CC(C)(C)c1ccc(N=C(O)[C@@H]2C[C@@]23CCOC3)c(O)c1 328641772 DKJHZUSNKJKSMV-YVEFUNNKSA-N 289.375 3.704 30 20 CHED CC#CCN1CCC(C)(c2nc3ccccc3s2)CC1 511089092 JLBISLHZBWAUBE-UHFFFAOYSA-N 284.428 3.673 30 20 CHED CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 47873457 NMCOOUYAUAECOT-OLZOCXBDSA-N 273.336 3.847 30 20 CHED Cc1ccc([C@@H](C)NCc2ccccc2C#N)cc1 49556821 DZBXEAIDBNAAMA-CQSZACIVSA-N 250.345 3.718 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C(/O)[C@@H]1CCC(=O)c2cccn21 329848965 NNGFAMLJDBWXDL-IPYPFGDCSA-N 288.391 3.931 30 20 CHED N#Cc1cccnc1N[C@@H]1CCc2c(Cl)cccc21 49321830 CQNXNRNDKLGJPG-CQSZACIVSA-N 269.735 3.706 30 20 CHED CC(C)c1ncncc1/C(O)=N/[C@H]1CSc2ccccc21 329682877 YVAYZMRGVRLTAF-ZDUSSCGKSA-N 299.399 3.752 30 20 CHED C=C[C@H](C)N[C@H]1CCc2cc(Br)cc(C)c21 381328082 RWDMTRBMXDVEGX-GWCFXTLKSA-N 280.209 3.909 30 20 CHED Cc1noc(C2CC2)c1N=C(O)[C@@H](C)c1ncccc1F 329902700 PNVZWBIXIJSIRQ-QMMMGPOBSA-N 289.310 3.786 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)NCC#Cc1ccccc1 512046698 NTJRSPPEXNBFST-FUHWJXTLSA-N 298.430 3.554 30 20 CHED CCC[C@@H]1CCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)C1 330964841 BWTWPYWUKSCULO-GDBMZVCRSA-N 285.391 3.647 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 516853987 ASRGCMXWKHSZLD-JSGCOSHPSA-N 298.777 3.750 30 20 CHED N#CC1(/N=C(/O)[C@H]2CC(=O)c3ccccc32)CCCCC1 330009807 GNJCFSBERUNISD-AWEZNQCLSA-N 282.343 3.540 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 335558638 IXIHYLDXOHEGAE-HIFRSBDPSA-N 257.377 3.808 30 20 CHED C#CCOc1ccccc1CNc1ccc(N(C)C)cc1C 237100757 QVWXBNCSQUCLFQ-UHFFFAOYSA-N 294.398 3.685 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2CC#N)C1 336254405 CIAVGQACCKPTIB-OCCSQVGLSA-N 256.349 3.517 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425106055 GFQNXGUDXZPSQS-CPUCHLNUSA-N 284.403 3.904 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(Cl)c(O)cc1F 335117282 QSUCUSBHANQBES-UHFFFAOYSA-N 271.719 3.726 30 20 CHED CCN(Cc1ncccc1C)[C@H](C)c1ccc(C#N)cc1 93159761 LGJHPPJEYIQNDR-OAHLLOKOSA-N 279.387 3.845 30 20 CHED CC1(C)C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2cc([N+](=O)[O-])ccc21 424326492 LVTSKIKKGZCVOP-OZVIIMIRSA-N 299.374 3.599 30 20 CHED C=CCNC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 513899223 YOJIDVOZZCKOLX-KRWDZBQOSA-N 286.419 3.821 30 20 CHED CCS[C@@H]1CCC[C@@H]1NCCCC(C)(C)C#N 233985175 YBZBFNCSGWFFRC-QWHCGFSZSA-N 254.443 3.580 30 20 CHED N#C[C@]1(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC12CCCC2 333534605 JSWICJAQMPNGDZ-RKVPGOIHSA-N 286.419 3.545 30 20 CHED CCC(CC)(CC)/N=C(/O)c1coc(C2CCOCC2)n1 330403990 CLLIGLJTPPYDOV-UHFFFAOYSA-N 294.395 3.842 30 20 CHED Cc1ccc(OC(F)F)c(CN2CCC(CC#N)CC2)c1 519860423 SYUHFHYKOLLIRU-UHFFFAOYSA-N 294.345 3.722 30 20 CHED N#CCCC1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 335484439 CFCOGCKRWZDQEP-UHFFFAOYSA-N 293.317 3.512 30 20 CHED Cc1cc(Cl)c(NCCO[C@@H](C)C#N)cc1Cl 384075995 WJLVHGKHBKZAEF-VIFPVBQESA-N 273.163 3.642 30 20 CHED CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccccc1C#N 334836016 PUNVKCDBWKXYBH-APWZRJJASA-N 290.366 3.715 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2Cc2ccccc2)c(Cl)c1 513651015 UYGUQWBLSPGGOE-OAHLLOKOSA-N 297.789 3.818 30 20 CHED C=CCN(CCC#N)CC(C)(C)CN(C)Cc1ccccc1 430104814 NXDQLPPWBGEPIR-UHFFFAOYSA-N 299.462 3.546 30 20 CHED CSCC[C@](C)(C#N)NC(=O)c1ccc2ccccc2c1 344692384 CXIQEWUGPGCOLH-QGZVFWFLSA-N 298.411 3.605 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H](C)c1ccccc1 432563526 TWYGZUAUHJUMIU-AWEZNQCLSA-N 274.408 3.991 30 20 CHED C=CC[C@@H](CO)CNCc1cc(-c2ccccc2)cs1 537021749 LJWLUFRHZNNPQZ-CQSZACIVSA-N 287.428 3.689 30 20 CHED CC[C@@H](C(=O)N[C@](C)(C#N)CSC)C1CCC(C)CC1 345100018 VQNGSJXSZOHKBF-UWTIDYAISA-N 296.480 3.600 30 20 CHED COc1c(C)ccc(NC(=O)c2ccc(F)c(C#N)c2)c1C 340952825 LUSNQIPVJDEROW-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C=C1CCN(C(=O)[C@H](C)Sc2ccc(C)cc2)CC1 520822700 CHXCRFUSMOQELT-AWEZNQCLSA-N 275.417 3.654 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(Cl)ccn1 344359823 IEQSGGXCKVQUIT-UHFFFAOYSA-N 292.791 3.625 30 20 CHED CC(C)c1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1Cl 342706610 VOUHFYLXPPPEEU-CYBMUJFWSA-N 299.761 3.743 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCCCC#N 344003675 YXDQSRONOBMPHI-MRXNPFEDSA-N 287.407 3.685 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCOc3c(Cl)cccc32)C1 248816537 KZEBNSZANQZIGX-JMSVASOKSA-N 290.794 3.836 30 20 CHED CCO[C@H](C)c1nc(CSCC2(C#N)CC2)cs1 344486876 STVHXMAQHGSEHY-SNVBAGLBSA-N 282.434 3.778 30 20 CHED N#CCCCNCc1ccc(-c2ccccc2)cc1F 344331892 XTUZPDOGALQBDF-UHFFFAOYSA-N 268.335 3.886 30 20 CHED CCC(CC)[C@H](C)C(=O)N1CCCC(C)(C)[C@H]1C#N 434037229 PDNNQAZGPGUKAA-GXTWGEPZSA-N 264.413 3.599 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)CCCCCC#N)C1 600227424 HQAAPGJDGGZLJE-UHFFFAOYSA-N 264.413 3.888 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(COC)cc2)o1 255224854 NMTBUOUOKFXTEV-NTMALXAHSA-N 270.328 3.885 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 524194451 BCOWLIAWBWURNN-CABCVRRESA-N 289.419 3.967 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1ccccc1Cl 602504335 MNCRRMUDRUNSAY-VXGBXAGGSA-N 250.773 3.930 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(SC)cn1 342867465 RKBFMXKXEPKXEQ-UHFFFAOYSA-N 294.420 3.505 30 20 CHED Cc1cn2c(/C=C\C(=O)c3occc3C)c(C)nc2s1 255527423 XKXHAELARUKXIN-PLNGDYQASA-N 286.356 3.810 30 20 CHED COc1ccc(C)cc1N[C@H](C)CC1(C#N)CCOCC1 602490920 XXHKTUMSYSXMDA-CQSZACIVSA-N 288.391 3.515 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C#N)c1 524534895 OUCDXPOXZVANCF-IRXDYDNUSA-N 299.418 3.716 30 20 CHED Clc1ccc2c(NN=Cc3ccco3)ccnc2c1 254624010 MVLHZXLSZSBFEE-UHFFFAOYSA-N 271.707 3.927 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)CC(C)C)oc2ccc(F)cc12 608822189 ZALUHOJGTPTDPN-GFCCVEGCSA-N 288.322 3.548 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2ccccc2Cl)c1 252641077 YZCQQNICPSCESH-UHFFFAOYSA-N 276.679 3.704 30 20 CHED COc1ccc(C)cc1N[C@@H](C)CC1(C#N)CCOCC1 602490919 XXHKTUMSYSXMDA-AWEZNQCLSA-N 288.391 3.515 30 20 CHED Oc1nc2ccccc2cc1/C=N\Cc1ccc(Cl)nc1 255619499 IDJFFROZQGOUMA-ZDLGFXPLSA-N 297.745 3.608 30 20 CHED N#CCc1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 602682306 PZOYINDKXDSRQO-BBWFWOEESA-N 282.387 3.512 30 20 CHED C=CCCCCCN(C)C(=O)NCCc1ccccc1C 531610783 VZGGUARPLKIYQM-UHFFFAOYSA-N 288.435 3.925 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnc2c(F)ccc(F)c2c1 352774111 VVMXAEKBJLYTAR-NSHDSACASA-N 290.313 3.598 30 20 CHED C=CCCC1(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)CC1 357406520 WYKVAGZJGZDQCG-UHFFFAOYSA-N 295.386 3.866 30 20 CHED C=CCN(Cc1ccccc1F)Cc1conc1CC 350663335 WAFACWVWSUDMGQ-UHFFFAOYSA-N 274.339 3.564 30 20 CHED C=CCn1c(SC[C@@H](F)CC)nnc1-c1ccco1 440573478 HCZIGTWIOXEFKM-JTQLQIEISA-N 281.356 3.564 30 20 CHED CC[C@@H](NCc1cc(F)cc(OC)c1)c1ccc(C#N)cc1 447585640 LCCQAYKKWQFIDU-GOSISDBHSA-N 298.361 3.947 30 20 CHED C[C@@H](Nc1cccnc1C#N)c1ccc(OC(F)F)cc1 358849859 DTRAVOLJRDLDPB-SNVBAGLBSA-N 289.285 3.728 30 20 CHED C=C(C)CN(CC[C@@H](C)F)Cc1cnn(C(C)C)c1 352922113 NOOIPLJPUVDVNG-CQSZACIVSA-N 267.392 3.590 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)[C@]1(C#N)C[C@@H]1C 448610186 GKIFBFHVPQEJSI-SGTLLEGYSA-N 296.370 3.503 30 20 CHED C=CCC[C@@H](NCCCOC(F)F)c1ccco1 353597489 SUKRVOBEIWBFQZ-LLVKDONJSA-N 259.296 3.506 30 20 CHED C[C@@H](NC(=O)NCCCC#N)c1ccc(F)c2ccccc12 355084892 PGSBGTVQSINKOH-GFCCVEGCSA-N 299.349 3.643 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(Cl)c2F)C1 612295165 ANEXMHZBDXDFOD-AWEZNQCLSA-N 295.745 3.637 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@H]1C)c1cccc2ccccc12 448582914 QCYYVEYEZQNJJX-FHSNZYRGSA-N 278.355 3.567 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2cc(F)ccc21 618805249 NJRAFMSPRJYDEN-RBUKOAKNSA-N 292.357 3.962 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(O)c1OC 352732214 YLGWKDNKKHDQOJ-UHFFFAOYSA-N 283.371 3.589 30 20 CHED CC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H]1CCCO1 613428017 RVQWKKXCEHUNCH-ZIAGYGMSSA-N 287.407 3.620 30 20 CHED C=CCCCC[C@@H](C)NCc1nc(C)c(C)s1 449166630 FFAYBBXOSABZKZ-LLVKDONJSA-N 252.427 3.984 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc2occc2c1 352851104 ADDOEHNXHUOADE-NVXWUHKLSA-N 271.360 3.504 30 20 CHED COc1ccc(OC(C)C)c(N[C@@H]2CC[C@H](C#N)C2)c1 442872626 IIIFFORTDKRNIP-QWHCGFSZSA-N 274.364 3.587 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1 538331316 DFKJIHYFLBLXGX-LBPRGKRZSA-N 281.783 3.580 30 20 CHED N#CC1(F)CCN(Cc2cscc2C(F)(F)F)CC1 356304482 OHBQAKHDRZSJFF-UHFFFAOYSA-N 292.301 3.595 30 20 CHED C=CCN(C(=O)CCCC(F)(F)F)c1ccccc1 356125557 PYCXBQZSLBEXHX-UHFFFAOYSA-N 271.282 3.938 30 20 CHED C[C@@H](CC1CCC1)NCCSCc1ccccc1C#N 610804897 SKBPMYBJKPMRNN-AWEZNQCLSA-N 288.460 3.960 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 450195467 UZQYPTHOHMKCEO-ZACQAIPSSA-N 284.403 3.830 30 20 CHED CC#CCCNC(=O)[C@H](CCC)c1ccc(Cl)cc1 613320284 IYHMELVSXZJPQY-OAHLLOKOSA-N 277.795 3.753 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 451512436 SVCSOHFSEUPDPH-INIZCTEOSA-N 295.785 3.949 30 20 CHED CC(C)N(CCCSCC#N)Cc1ccccc1F 266683964 AAGHWGTXPCPKLC-UHFFFAOYSA-N 280.412 3.683 30 20 CHED C=CCC1(C(=O)NCC[C@H](OCC)C(C)C)CCCC1 450014448 DGJKBSHVETVEQI-HNNXBMFYSA-N 281.440 3.690 30 20 CHED C=CCC[C@H](NCc1ccc(CO)o1)c1ccccc1 269330525 BOJGARNVZFKYHX-KRWDZBQOSA-N 271.360 3.569 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Cl)c(C#N)c1 538684816 NNFYTNUGAQIGHR-XHDPSFHLSA-N 290.794 3.862 30 20 CHED C=CCOCCCC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 458189915 NGHAMFYVCBXKDF-KRWDZBQOSA-N 293.451 3.787 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)OCc1ccc(F)cc1 450427072 RJLGFTQBRDYSLU-KBPBESRZSA-N 293.382 3.592 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)N(C)Cc1cccc(C#N)c1 455281563 NVOBGAWZWYTNHQ-DLBZAZTESA-N 299.418 3.526 30 20 CHED C[C@H]1CC(NC(=O)c2ccc(Cl)c(C#N)c2)C[C@H](C)C1 541581635 OFNNCGFTEDVUHF-GHMZBOCLSA-N 290.794 3.766 30 20 CHED C=C(C)COc1cccc(NC(=O)NC2(CC)CC2)c1 454666048 HUUHPUGHQMQYPJ-UHFFFAOYSA-N 274.364 3.706 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CC[C@H](F)C1 360359287 IMFQRFDKIVTIGM-RYUDHWBXSA-N 279.380 3.585 30 20 CHED C[C@@H](NC[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 453322060 QNLYSVVXKTYMDD-GDBMZVCRSA-N 284.403 3.558 30 20 CHED C=CCC1(NC(=O)C2C[C@@H](C)O[C@H](C)C2)CCCCC1 456357855 AFMAFZJDFZCJFU-ZIAGYGMSSA-N 279.424 3.585 30 20 CHED C=C(C)CCNC(=O)Nc1cnn(CCCC)c1C(C)C 455284021 PHUXRDKWUIFOAW-UHFFFAOYSA-N 292.427 3.894 30 20 CHED N#Cc1ccc(NCc2c(F)cc(F)c(F)c2F)cc1 362361450 XUZCTJXEZCSVMJ-UHFFFAOYSA-N 280.224 3.727 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccccc1C(F)(F)F 272380251 DWBLAETUYRDTQM-AWEZNQCLSA-N 298.308 3.764 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(-c2ccc(C)o2)s1 541963781 AREBLVGRUHJLLC-NSHDSACASA-N 288.372 3.739 30 20 CHED C=CCN(C(=O)c1nn(-c2ccccc2)cc1C)C(C)(C)C 622945224 XRPFHJKWQCDVCA-UHFFFAOYSA-N 297.402 3.607 30 20 CHED C=CCCC(C)(C)NC(=O)c1scnc1C(C)C 622981401 XPULNIYWDCOGJE-UHFFFAOYSA-N 266.410 3.741 30 20 CHED C=C[C@@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 465106750 GUFNZOYBAWGFKA-SECBINFHSA-N 272.175 3.617 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)c1ccccc1)c1cccc(C#N)c1 461745632 KLPKQKVOKRAVDA-LSDHHAIUSA-N 292.382 3.881 30 20 CHED N#Cc1cccc(CCNC/C=C/c2ccc(F)cc2)c1 466425205 LBRXHGMUGRWRNY-GORDUTHDSA-N 280.346 3.543 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H]1CC[C@@H](C)C1)c1ccccc1 469942054 UXPYAEDKOYYEAF-BFYDXBDKSA-N 271.404 3.993 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCO[C@H](C(C)C)C1 540069783 JIKLGUXAFBSTHI-HOTGVXAUSA-N 296.455 3.578 30 20 CHED C=CC(C)(C)CCN[C@@H](C)c1ccc2nc(O)oc2c1 624036945 FIUKEYABIIJWCR-NSHDSACASA-N 274.364 3.786 30 20 CHED CCN(CC#N)C(=O)c1sc2cc(C)c(C)cc2c1C 469331789 YFPXGFZGUNWWAO-UHFFFAOYSA-N 286.400 3.812 30 20 CHED C=C(C)COCCN[C@@H]1C[C@@H](c2ccccc2)C1(C)C 464079334 YPSSQNLILCNCLH-DLBZAZTESA-N 273.420 3.751 30 20 CHED Cc1ccc(C)c(N(C)C(=O)[C@@H](C)c2cccc(C#N)c2)c1 463455006 BLDFYLWWRCLTQD-HNNXBMFYSA-N 292.382 3.942 30 20 CHED C=CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H](C)CC 463954621 LXMLNXCUGZHIBK-SMDDNHRTSA-N 280.799 3.912 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)CC12CCCCC2 463039031 WWOTZUMFUSAOBX-OAHLLOKOSA-N 296.414 3.991 30 20 CHED CN(CCCCC#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 554304883 AUHMQSPHKGJVCY-DLBZAZTESA-N 286.419 3.858 30 20 CHED C=C(C)CCN(Cc1ccc(F)cc1)C1CCOCC1 287907853 VFIAGCAFIHAQIK-UHFFFAOYSA-N 277.383 3.773 30 20 CHED N#Cc1cccc(Cl)c1N1CCO[C@@H](c2ccccc2)C1 462917554 VGDWFFRDJZWBIK-MRXNPFEDSA-N 298.773 3.790 30 20 CHED N#Cc1cccc(C2(NCc3cnc(C4CC4)s3)CC2)c1 551226427 RBIMPHFVOHQJQR-UHFFFAOYSA-N 295.411 3.671 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)c1cccc(C#N)c1 464267151 PCKDJQPLAHIRNU-AWEZNQCLSA-N 297.402 3.641 30 20 CHED C=C(C)CN(C)C(=O)NCC1(CC)CCCCC1 460190797 GLTSXFBHOXLMTA-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc([N+](=O)[O-])c(C)c2)n1 556363192 TVTDMYZXJNBCNA-UHFFFAOYSA-N 287.319 3.807 30 20 CHED CCCC[C@@H](SCc1ccc(C#N)cc1F)C(=O)OC 475883186 QQQFCPMYCIOITO-CQSZACIVSA-N 295.379 3.662 30 20 CHED C=CCCCCCCNC(=O)Nc1cnn(C(C)C)c1 806320448 VSJONYPEPGJGTE-UHFFFAOYSA-N 278.400 3.722 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@H]1C(C)C 807570126 OEBBNDHCHVXXOC-AWEZNQCLSA-N 252.402 3.563 30 20 CHED CCC#C[C@@H](C)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808787560 VYIXLKIZKFTQOF-LSTHTHJFSA-N 293.410 3.853 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@H](C)c1cccc(F)c1 804834738 NZOYWNIDHWJSLG-OAHLLOKOSA-N 295.357 3.591 30 20 CHED C=CCCCCCCNC(=O)NOCc1ccccc1 804879208 MXBFVDUDMANPPM-UHFFFAOYSA-N 276.380 3.554 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 293502905 NHJMSBILIIJVDB-HOTGVXAUSA-N 287.403 3.625 30 20 CHED C=CCC[C@@H](CC)NCCc1cn2c(C)cccc2n1 647364858 PGHLAZIPLZUFBN-OAHLLOKOSA-N 271.408 3.520 30 20 CHED C[C@@H](C#N)OCCN1CCC[C@H]1CCC1CCCCC1 801928899 ANSSHMCVHYHUHD-RDJZCZTQSA-N 278.440 3.740 30 20 CHED C=C(C)CS[C@H](C)C(=O)N(CC)C1CCCCC1 477000728 JYQSBSUPTRFAED-CYBMUJFWSA-N 269.454 3.865 30 20 CHED Cc1c(C#N)c(SCCSC(C)C)nc2c1CCC2 800831441 GJOGZYSQIAMXFP-UHFFFAOYSA-N 292.473 3.984 30 20 CHED CC[C@@H](CC#N)NCc1coc(-c2cccc(Cl)c2)n1 566429047 NNQBURQJROWJBN-ZDUSSCGKSA-N 289.766 3.777 30 20 CHED C=CCCCCNC(=O)[C@H](c1ccccc1)C(C)C 471709954 WIUROZMQUUUGOV-INIZCTEOSA-N 259.393 3.899 30 20 CHED C=CCOCCCOc1ccc(C(=O)c2ccccc2)cc1 475947956 BMVIZNAFDBORST-UHFFFAOYSA-N 296.366 3.889 30 20 CHED Cc1cc2c(cc1C)C(=NN[C@@H]1CCSC1)CCS2 807999638 SERPBCWHXZRMBO-GFCCVEGCSA-N 292.473 3.598 30 20 CHED C=CCOCCCN1CCC[C@H](c2ccc(F)cc2)CC1 470773950 QNWXSYHDXOBULB-INIZCTEOSA-N 291.410 3.988 30 20 CHED C[C@@H](NCCCc1ccccc1F)c1ccc(C#N)cc1 479512301 RGURWBOVIZDGAY-CQSZACIVSA-N 282.362 3.981 30 20 CHED CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCCC#N)o1 292058387 HEZLFXHAHXPOQU-ZFWWWQNUSA-N 288.391 3.835 30 20 CHED CCOc1cccc2cc(C(=O)/C=C/c3cnccn3)oc12 809153112 NIVAOVNGPNLFBH-VOTSOKGWSA-N 294.310 3.518 30 20 CHED C=CCC1(C(=O)N2CC3(CCOCC3)C[C@@H]2C)CCCC1 648618596 LZCZVGDJEWSCPN-HNNXBMFYSA-N 291.435 3.541 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccc([N+](=O)[O-])cc2)CS1 814682804 QXPOIOPCXVUQPW-ZDUSSCGKSA-N 279.365 3.524 30 20 CHED N#CCCC1CCN(CCSc2ccc(F)cc2)CC1 567791078 GNESZSCXQIBPGF-UHFFFAOYSA-N 292.423 3.934 30 20 CHED N#CCCC1CCN(C(=O)CCCc2ccccc2)CC1 399333849 CPSWXDSITUXUCB-UHFFFAOYSA-N 284.403 3.552 30 20 CHED C#C[C@@H](NCc1cc(F)ccc1O)c1ccc(Cl)cc1 811516653 QTYPXYNKRJDOHZ-OAHLLOKOSA-N 289.737 3.649 30 20 CHED C=C(C)C(C)(C)C(=O)N1Cc2ccccc2C(F)(F)C1 644681749 KOMYFTLYRWQODY-UHFFFAOYSA-N 279.330 3.723 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(O)c(F)c1 812241249 FTZFYAKEDKSYAP-HWKANZROSA-N 290.265 3.575 30 20 CHED N#CC1(CNCc2ccc(-c3ccc(Cl)cc3)o2)CC1 562391606 LHHQWJPEDGPJDB-UHFFFAOYSA-N 286.762 3.993 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1C 488878037 LHKFKSQKDUKVNW-CYBMUJFWSA-N 263.768 3.829 30 20 CHED CC[C@@H]1CCC[C@H](C=NNC[C@@H]2CCSC2)C1 811662893 WRSCLLFFUDGGAH-RDBSUJKOSA-N 254.443 3.531 30 20 CHED C#CC[C@H](NC(=O)NCC(C)(C)CC=C)c1ccccc1 814378111 KLVQQDRREBDILE-INIZCTEOSA-N 284.403 3.653 30 20 CHED C=CCCCCCCCNC(=O)c1cn(C(C)C)cn1 811589887 KVOUIXUCOJBYDS-UHFFFAOYSA-N 277.412 3.720 30 20 CHED CCOc1ccc(NN=Cc2ccc(CC)o2)cc1 814984600 QXYITQBRGSMZRO-UHFFFAOYSA-N 258.321 3.687 30 20 CHED Clc1cccc2c1C(=NNc1ccccc1)CO2 814684097 DDJVBXDSVMVORY-UHFFFAOYSA-N 258.708 3.549 30 20 CHED COCCCC(=NOC/C=C/Cl)c1ccc(F)cc1 811669614 RCDXZPGTIXHZRE-FSPZVDBESA-N 285.746 3.726 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCSc1ccc(F)cc1 488831275 GWPXUXHZOYXQSZ-CQSZACIVSA-N 293.407 3.875 30 20 CHED C=CCCN[C@@H](C)c1cc(Cl)c(OC)cc1OC 658117541 WJLNELHBKCWQLD-JTQLQIEISA-N 269.772 3.584 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCc2ccccc2C1 570048409 TUFJAXUWZYPKFZ-WMLDXEAASA-N 271.404 3.653 30 20 CHED CCCC(=NNc1cccc(C#N)c1)c1ccccn1 814786974 SVEWQHKJQBSRRM-UHFFFAOYSA-N 264.332 3.570 30 20 CHED CCCCCCCCCCC(=O)N1C[C@H](C)C[C@@H](CO)C1 817632115 RJSANJIFETWGOE-IAGOWNOFSA-N 297.483 3.994 30 20 CHED CSCc1cnc(C=NNc2ncccc2Cl)s1 814810587 RERAOIVZHJLNJE-UHFFFAOYSA-N 298.824 3.501 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(OC)ccc1Cl 488356546 YYGVJEQUFDRFEL-LLVKDONJSA-N 294.782 3.921 30 20 CHED CCCC(=NNCCC(F)(F)F)c1ccc(OC)cc1 814920246 GWGLUDJAYFLRRK-UHFFFAOYSA-N 288.313 3.741 30 20 CHED C=CC[C@H](C)NC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F 484025738 DPLHZKYDAOLYRL-TUAOUCFPSA-N 292.345 3.619 30 20 CHED CC(C)[C@H]1CCCN1Cc1ccc(Cl)cc1C#N 480503886 FGEFWRXRLSECDQ-OAHLLOKOSA-N 262.784 3.832 30 20 CHED C#C[C@H](NC(=O)CC(C)(C)CC)c1ccc(Cl)cc1 811945397 UKNZCOWRZQBCBU-AWEZNQCLSA-N 277.795 3.957 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc(CC(C)C)cc1 725927885 XWHQSGGXQNEZGI-HNNXBMFYSA-N 290.403 3.910 30 20 CHED CCc1noc(C)c1CNc1nc2ccccc2cc1C#N 814900309 MXXLJWAOWBQXAL-UHFFFAOYSA-N 292.342 3.577 30 20 CHED CC(C)(C#N)CCC[S@@](=O)[C@@H]1CCc2ccccc2C1 579253395 RULGBIAUTNHIBQ-OXQOHEQNSA-N 289.444 3.623 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1cc2ccccc2o1 812441474 AKOXAXDLHZLLTD-UHFFFAOYSA-N 294.310 3.967 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccnc(Cl)c1C 810298088 KFVTYVFHOZUJKY-SNVBAGLBSA-N 267.760 3.520 30 20 CHED C=C(Br)CN(C1CC1)[C@@H](C)[C@@H](C)CC 729545314 SVDYUPBWXWQCCC-ONGXEEELSA-N 260.219 3.794 30 20 CHED C#CCO[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1C(C)C 822483217 WPTAHLUASKRQBX-AWEZNQCLSA-N 287.403 3.910 30 20 CHED C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CC=C 578471351 RXDYSNFOXAPMBM-UHFFFAOYSA-N 294.402 3.618 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H](C)c2ccc(F)cc2)c1 728481705 RKQRUINCGBFAHU-AWEZNQCLSA-N 295.357 3.964 30 20 CHED Cc1csc(NC(=O)N(C2CC2)[C@@H](C)C2CC2)c1C#N 571057507 VZXSDDJVLCEIEZ-JTQLQIEISA-N 289.404 3.723 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(C(=O)N(C)C)cc1 495062117 ABEZQIOGCOWHFN-CABCVRRESA-N 288.435 3.784 30 20 CHED C#Cc1cccc(N(C(=O)/C(C)=C/CC)C(C)C)c1 728246821 JIGRDADOZFMHDI-NTEUORMPSA-N 255.361 3.766 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(OCC(C)C)cc1 728157622 PKOTVEJOUCVORP-KTKRTIGZSA-N 298.386 3.957 30 20 CHED C=CCCC(=O)O[C@H](C)C(=O)Nc1cccc2ccccc12 726651994 YJZFNHVVSALLFJ-CYBMUJFWSA-N 297.354 3.676 30 20 CHED C=CCCC[C@H](C)NCc1ccnc(Cl)c1F 824074054 RIKYHXUHIQEMPD-JTQLQIEISA-N 256.752 3.709 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)C#CC(C)C 829455613 COOPVECOROPHMO-UHFFFAOYSA-N 269.266 3.612 30 20 CHED C=CCN(CCc1ccco1)Cc1ccn(C2CCCC2)n1 491409232 HAIRICAAQWUKPU-UHFFFAOYSA-N 299.418 3.822 30 20 CHED N#CCCCCCC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 588166105 XEVSGKNSSDVTOI-HDJSIYSDSA-N 288.366 3.662 30 20 CHED COc1cccc(C(C)=NN=c2cc[nH]c3ccccc23)c1 730148162 YTWJCCZYRZANCG-UHFFFAOYSA-N 291.354 3.501 30 20 CHED CC[C@@H](NC[C@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1 902792797 DKIKGEQTLBJICX-IEBWSBKVSA-N 299.462 3.719 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)c1cc(C)oc1C 499302687 UIULTTWCHJQCAN-CYBMUJFWSA-N 299.370 3.952 30 20 CHED C=CC[C@@H](NC(=O)Nc1cccc(C)c1)c1ccncc1 734515784 QPLBXQXZGXKTQZ-MRXNPFEDSA-N 281.359 3.829 30 20 CHED C#CCC1(C(=O)N[C@H](C2CCC2)C2CC2)CCCCC1 837248474 DUTYGPCIEJESHK-MRXNPFEDSA-N 273.420 3.655 30 20 CHED C#CC[C@H](NC(=O)N[C@@H](C1CCC1)C1CC1)c1ccccc1 836376097 IILDTXTZLUSVDS-ROUUACIJSA-N 296.414 3.629 30 20 CHED O=C(C#CC1CC1)N(CCc1ccccc1F)C1CCCC1 837376393 NWBLQNNLSZKYKT-UHFFFAOYSA-N 299.389 3.553 30 20 CHED CCc1ccc(C(=O)[C@H](C)Sc2ccc(C#N)cn2)cc1 495272909 RFECVAAKYXMSIX-LBPRGKRZSA-N 296.395 3.879 30 20 CHED C=CCC[C@H](CC)N[C@@H](C(=O)O)c1ccc(F)c(C)c1 901844366 UULFESGTDYSAPL-DZGCQCFKSA-N 279.355 3.594 30 20 CHED CC#CC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 838059972 MPEYHWHGDDSYDN-QGZVFWFLSA-N 267.372 3.544 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)CCCCCC#N 588756137 MXJSKOJINXHIMX-UHFFFAOYSA-N 266.429 3.991 30 20 CHED Cc1nc2ccccc2cc1C(=O)OCC(C)(C)CC#N 835303153 GYWZHJQNLNFSDD-UHFFFAOYSA-N 282.343 3.640 30 20 CHED CCC/C(C)=C\C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 733259582 ZUUKCVNKZGFISX-FPAJZGIOSA-N 276.767 3.767 30 20 CHED CC1(C#N)CCC(=NOCc2ccc(F)cc2)CC1 834969163 QMQXDKSTQXLMMQ-UHFFFAOYSA-N 260.312 3.802 30 20 CHED Cc1cc(C#N)nc(N[C@H]2c3cccc(F)c3CC[C@@H]2C)n1 587993575 YQMRNBSPVWNJTJ-MGPLVRAMSA-N 296.349 3.531 30 20 CHED C=CCn1cccc1C(=O)Nc1ncsc1C(C)C 584241318 HZZDCWPKCJXBBP-UHFFFAOYSA-N 275.377 3.506 30 20 CHED CC(C)C#CC(=O)N1CC=C(c2cccc3ccccc23)C1 831862840 MFJUECLKYRKSOW-UHFFFAOYSA-N 289.378 3.725 30 20 CHED N#CCCC1CCN(c2ccnc(-c3ccccc3)n2)CC1 584587820 FBMWOXONOLBYSZ-UHFFFAOYSA-N 292.386 3.664 30 20 CHED CC(=NNc1nccc2sccc12)[C@H]1C[C@H]2CC[C@H]1O2 834940681 CBNZMGBVWSXGQU-RAIGVLPGSA-N 287.388 3.652 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(C)c(Cc2ccccc2)s1 593412837 YBFXPVSTGQELRT-ZDUSSCGKSA-N 299.399 3.531 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 915339830 MDGYHZHGHVEFGM-FWEDZOCSSA-N 294.398 3.614 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC3(CCc4ccccc4O3)CC2)C1 595829562 WCKVJEQPJGJQMV-NVXWUHKLSA-N 296.414 3.538 30 20 CHED CC(=NN=C(C)C(C)(C)c1ccc(F)cc1)c1cnccn1 745206761 PUFICRGEJKPEED-UHFFFAOYSA-N 298.365 3.778 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1Cl 591531413 IOTLNXVZLOYSDQ-PIGZYNQJSA-N 297.789 3.945 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cccc(OC)c2)c1 743537894 CRHRMVCFFAPZKL-KHPPLWFESA-N 282.339 3.990 30 20 CHED CC(=NNCC(F)F)c1cc(Cl)sc1Cl 740616423 MHYAZOJOJARQGI-UHFFFAOYSA-N 273.135 3.634 30 20 CHED CCCCCCCC(=O)Nc1ccc(-n2ccnc2)nc1 914452177 DLJVTIVJQKEFNY-UHFFFAOYSA-N 286.379 3.566 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]1c1ccc(O)cc1 675216635 MEAPYYCEEUTTKD-KRWDZBQOSA-N 285.387 3.824 30 20 CHED CC(=NNc1ncccn1)c1cc(Cl)ccc1Cl 912973006 DHHGTADYIUWLPD-UHFFFAOYSA-N 281.146 3.620 30 20 CHED COC[C@H](CC(C)(C)C)Nc1ccccc1O[C@@H](C)C#N 845951821 ROTARKCFFGVZLT-KBPBESRZSA-N 290.407 3.841 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 915975555 JLVMVPSNFNYMSK-UHFFFAOYSA-N 279.683 3.677 30 20 CHED Clc1ccc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)nn1 916288040 KVXSPTZQZYVJTO-WDEREUQCSA-N 278.787 3.888 30 20 CHED C=CC[C@@H](NC(=O)[C@H]1CCC(C)=C(C)C1)c1ccncc1 843549544 MXEUUNNBHXHTDW-DLBZAZTESA-N 284.403 3.952 30 20 CHED CC(C)CCOc1ccccc1NC(=O)NCCCC#N 594148269 SUZGBPUTAPHTIL-UHFFFAOYSA-N 289.379 3.537 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)c1cccs1 745624320 JDAOIKDVMAVSMF-UHFFFAOYSA-N 288.376 3.957 30 20 CHED N#CC[C@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 596332164 XAIDXWNJIOFWPS-LLVKDONJSA-N 293.292 3.707 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)[C@@H]1CC1(C)C 841622108 SPSVHNNPOXNDJL-JTQLQIEISA-N 274.368 3.894 30 20 CHED C=CCCCC(=O)N(CCC)Cc1ccc(OC)cc1 748299447 PULMAIKQDPWGLD-UHFFFAOYSA-N 275.392 3.790 30 20 CHED Cc1ccc(CC(=O)OCc2ccc(C#N)cc2C)cc1C 748907157 VGRNTZORBADIIZ-UHFFFAOYSA-N 293.366 3.769 30 20 CHED CC[C@@H](O)CNN=C1CCC[C@H](c2cccc(Cl)c2)C1 841639756 UVSHAHGBQZPPBA-XJKSGUPXSA-N 294.826 3.714 30 20 CHED C=CCC[C@H](OC(=O)c1cnc2n1[C@H](C)CCC2)C1CC1 845492009 AEFVXHPLXBXTTE-DOMZBBRYSA-N 288.391 3.682 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC=C)C(C)C 840461065 AXLXFOKPHZWRQI-KRWDZBQOSA-N 286.419 3.780 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1cc(F)ccc1F 741765715 CBYKUBVVEGIMNZ-UHFFFAOYSA-N 296.708 3.553 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cccc(Cl)c1OC(C)C 844539291 KNSHXZZHVHWIQW-SNVBAGLBSA-N 298.770 3.755 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1OC1CCC1 684939997 ZQBNQMLOGHYBDD-CYBMUJFWSA-N 273.376 3.702 30 20 CHED CCCCCCCCNC(=O)CC1(O)CCCCC1 755216674 XCVSPXWZVNKSQO-UHFFFAOYSA-N 269.429 3.548 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1cc(C)ccc1Cl 921149608 WPMLDQFKWGREEF-LLVKDONJSA-N 268.740 3.535 30 20 CHED CCCCCCCNC(=O)N[C@@H](C)c1nc(C)cs1 858111402 DXSMJXAOOJYNTC-LBPRGKRZSA-N 283.441 3.782 30 20 CHED C#C[C@@](C)(CC)N[C@@H](C)c1ncc(-c2ccccc2)o1 852101689 GSZSSURZWINBJY-GUYCJALGSA-N 268.360 3.794 30 20 CHED C=CCN(CC=C)C(=O)CNc1ccc(C(C)(C)C)cc1 754178241 IJKRLWXCOPXRJM-UHFFFAOYSA-N 286.419 3.597 30 20 CHED C#CC[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccccc1 756957235 MZESDNHSNOLQTO-AWEZNQCLSA-N 284.290 3.910 30 20 CHED C#CCCOC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 751831592 HDKHWBGEJYCMPG-UHFFFAOYSA-N 299.757 3.946 30 20 CHED O=C(/C=C/c1ccccc1)c1cc(F)cc(F)c1O 757472497 JKALGVBODBEEPK-VOTSOKGWSA-N 260.239 3.567 30 20 CHED N#CC1(OC(=O)[C@H]2CC[C@H](C3CCC3)CC2)CCC1 850880831 BPTKQUYONXIAMW-HDJSIYSDSA-N 261.365 3.582 30 20 CHED C=CCCCOC(=O)CCCc1ccc(C)s1 750972809 DUDKSGUAOVVNIJ-UHFFFAOYSA-N 252.379 3.889 30 20 CHED N#CCc1ccc(NCc2ccc3c(c2)CCCO3)cc1 921565972 QOOIGSMECGYUGA-UHFFFAOYSA-N 278.355 3.690 30 20 CHED C#CCCCC(=O)Nc1cccc(CSCC)c1 757958145 ZCZKGZLMMYRQJF-UHFFFAOYSA-N 261.390 3.682 30 20 CHED C=CCC[C@@H](CC)NCc1ccc(N(C)C(C)=O)cc1 858496443 NNJHYIDRRYNMMV-MRXNPFEDSA-N 274.408 3.504 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2c(ccc3ccccc32)[nH]1 753413242 CFLQMQGGIDMGBA-LBPRGKRZSA-N 278.311 3.780 30 20 CHED CC(C)c1nn(C)cc1-c1cc(C#N)cc(N2CCCC2)c1 854172761 GXQLSBQWMXJJPC-UHFFFAOYSA-N 294.402 3.682 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CSc2ccccc21 925092096 HNDIVQZPVWYHFN-AAEUAGOBSA-N 260.406 3.751 30 20 CHED C#CC[C@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1ccccc1 757578890 MDMVVBKLNSPPKF-BIPIRPLISA-N 267.372 3.614 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2cc(Cl)cs2)c1 758571502 FJWAJEKXMQRSJH-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CN(C(=O)c1cc(Cl)cs1)c1ccc(C#N)cc1 758496363 NTGLMDHBGVRUPK-UHFFFAOYSA-N 276.748 3.550 30 20 CHED C/C(=C/c1ccc(C)cc1)C(=O)N1CCC[C@H](CC#N)C1 855256425 MCCMXNYDGHBEOS-MLRPBERTSA-N 282.387 3.551 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](C)c2cnc(C)s2)c1 864347487 RGASSZFWYRHGAU-SYEOYNTFSA-N 290.388 3.736 30 20 CHED Cc1cc(C=NNc2c(F)cccc2F)c(C)o1 767908433 SMPBAZAWNNZEDG-UHFFFAOYSA-N 250.248 3.621 30 20 CHED C=CCOCCCOC(=O)/C=C\c1ccc(SC)s1 860290007 OBAZDELGXRUTQK-ALCCZGGFSA-N 298.429 3.619 30 20 CHED Cc1cccc([C@@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 930764442 MXMZAHWTFGFHEF-KXBFYZLASA-N 294.398 3.593 30 20 CHED C=C(C)C[C@@H](NCC1CCC(CCC)CC1)C(=O)O 864530355 WNWMAIZVCIASKB-YMAMQOFZSA-N 267.413 3.602 30 20 CHED C#CCCCN[C@@H](C)CCc1ccc(OC/C=C/C)cc1 766222732 LISKPRHKOJTNCP-UABRLCRWSA-N 285.431 3.966 30 20 CHED C[C@H](NN=C1CCCc2scnc21)c1ccccc1 863082013 AJNGXFHNJUGZMC-NSHDSACASA-N 271.389 3.534 30 20 CHED CCc1cccc(CC)c1NC(=O)[C@H](C)SCCC#N 58256483 WGBHDODDXUOGDW-LBPRGKRZSA-N 290.432 3.785 30 20 CHED C#CCC(C)(C)C(=O)NCC(CC)(CC)c1ccccc1 767086509 LQDSEMLWLYQLLX-UHFFFAOYSA-N 285.431 3.910 30 20 CHED C=C(C)CN(CC)Cc1sc(N2CCCCC2)nc1C 1116438434 FSJUOQTWNQOALZ-UHFFFAOYSA-N 293.480 3.840 30 20 CHED CC[C@@H](COC(=O)c1ccc(CC#N)cc1)CC(F)F 1118453651 BHVTXQNZADVBBJ-LLVKDONJSA-N 281.302 3.591 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccnc1N(C)C)CC2 1117390929 CPZRRPCJCZARMA-QINSGFPZSA-N 292.382 3.669 30 20 CHED C=C(C)CCN1C(=O)S/C(=C\c2cccs2)C1=O 775173488 HUIABCXLDGMILN-FLIBITNWSA-N 279.386 3.751 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1116425459 BFOUCLSINGUIJL-UWVGGRQHSA-N 284.762 3.804 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1nc(O)c2ccccc2n1 773202950 HKRRYGOSVQVFQB-JSGCOSHPSA-N 296.374 3.726 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(C)c(O)c(C)c1 776189943 LXQRNEODOAAUBW-WAYWQWQTSA-N 281.355 3.863 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1ccc(C#N)cc1 773201569 QGHKUYZLCWWWOY-BBRMVZONSA-N 253.349 3.948 30 20 CHED N#CCOc1cccc(CNC2CC(c3ccccc3)C2)c1 1116543843 DNBDHPUPIYXNHT-UHFFFAOYSA-N 292.382 3.625 30 20 CHED C[C@@H](CCC#N)CNCCc1ccc(N2CCCCC2)cc1 876955558 ZGPCURIKGYTQHV-KRWDZBQOSA-N 299.462 3.749 30 20 CHED C#CCN(CC)C(=O)N[C@H](CC1CCC1)c1ccccc1 779381487 BWQZKPOZYAZHJR-QGZVFWFLSA-N 284.403 3.583 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)c(O)cc1Cl 885682856 WWTADZRTAIINCL-QMMMGPOBSA-N 271.719 3.726 30 20 CHED C=C(C)COC(=O)c1c[nH]nc1-c1ccc(Cl)s1 778610727 TXMZYSZVCNOGJI-UHFFFAOYSA-N 282.752 3.525 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)CCCC=C)c1 776203588 QUQIRPFLBBIEKL-ZDUSSCGKSA-N 272.417 3.699 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cc2nc(C)no2)cc1 885613015 IAGIJASDKGCRRK-UHFFFAOYSA-N 299.374 3.510 30 20 CHED C=CCN(Cn1ccn(Cc2ccccc2)c1=S)C1CC1 771638697 DPBDWAGZSYQHBH-UHFFFAOYSA-N 299.443 3.675 30 20 CHED C[C@@H]1CC(C)(C)CN1c1nc(C(C)(C)C)ccc1C#N 1559213737 FGWJCPQTSQKMTD-GFCCVEGCSA-N 271.408 3.876 30 20 CHED N#C[C@@H](OC(=O)c1nc(Cl)ccc1F)C1CCCCC1 776395576 GTBJITFSCTZHQR-LLVKDONJSA-N 296.729 3.503 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(F)cc(C(C)=O)c(F)c1F 889831274 LIWDKBOAODOMON-UHFFFAOYSA-N 299.292 3.847 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccccc1OC(F)F 781128560 XOWJIRVOFZBLIF-UHFFFAOYSA-N 295.264 3.658 30 20 CHED CC(C)(C#N)CCNC(C)(C)c1ccc(F)cc1F 886897905 LQIPWYRRDJOMAR-UHFFFAOYSA-N 266.335 3.729 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 780013471 ORAHSSSORICKEB-FJVVXJACSA-N 290.794 3.626 30 20 CHED C=C[C@@H](C)OC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 781578361 APKLYXMCCUGCQB-CYBMUJFWSA-N 295.338 3.670 30 20 CHED C[C@@H](OC(=O)c1cccc(Cl)n1)c1cccc(C#N)c1 780348198 UTXSJEIWXBHCFF-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C#CCCCCCC(=O)Nc1ncc(CCC)s1 780034411 WQIGMXGPOMBCLS-UHFFFAOYSA-N 264.394 3.618 30 20 CHED C=CCCCCCOc1ccc(NC(=O)OC)cc1 783026220 GGHHPLGMNPGPQF-UHFFFAOYSA-N 263.337 3.990 30 20 CHED C=C1CCN(C(=O)c2cccc(C)c2Br)CC1 270152107 CZFHGSZEJMAUHL-UHFFFAOYSA-N 294.192 3.550 30 20 CHED CCc1cccnc1C(C)=NN[C@@H]1CCCC1(C)C 782300343 LPMXGRIVCUBYTP-CQSZACIVSA-N 259.397 3.536 30 20 CHED CCOc1ccccc1C=NOCCCCCF 789567463 RGDQILOJMVWMMA-UHFFFAOYSA-N 253.317 3.576 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C[C@@H]1C=CCC1 701338115 XFAJQMQIBFGDPO-SNVBAGLBSA-N 260.724 3.506 30 20 CHED C=C1CCC(c2nc(-c3ccc4nccnc4c3)no2)CC1 896104184 DHMTXFHPQUOHSW-UHFFFAOYSA-N 292.342 3.894 30 20 CHED Cc1ccc2c(c1)C(=NNc1ncncc1Cl)CCC2 780282770 QVRATHQRTFIYNC-UHFFFAOYSA-N 286.766 3.591 30 20 CHED CC(C)CC1(C(=O)Nc2ncc(C#N)s2)CCCC1 896485170 VVPVNRIZGGEMSV-UHFFFAOYSA-N 277.393 3.560 30 20 CHED CCOc1cccc(C(=O)/C=C/c2c(C)noc2CC)c1 899350664 LNKHQINOWWZKDB-MDZDMXLPSA-N 285.343 3.840 30 20 CHED Cc1ccc(N[C@H](C)CC(C)(C)C#N)c(CN(C)C)c1 892375888 UUTVPPOBPCNQEX-CQSZACIVSA-N 273.424 3.797 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@H]3c3ccccc3OC)n2)C1 896873488 BAYRQRAULPXXKT-UONOGXRCSA-N 282.343 3.783 30 20 CHED C[C@@]1(C=NNc2ccc(Cl)c(C(=O)O)c2)CCCS1 792872084 LGPADUVKBABDQI-ZDUSSCGKSA-N 298.795 3.722 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCCCC1 797404700 IKWCQMMBBIIQBY-UHFFFAOYSA-N 266.776 3.985 30 20 CHED N#Cc1ccc(N[C@H]2CCc3ccc(F)cc32)cc1 106477145 AGGQUYBOVPSUIQ-INIZCTEOSA-N 252.292 3.797 30 20 CHED CC(=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cc(C)on1 794541278 KSMJCSQWYXXSRD-XNRPHZJLSA-N 275.396 3.511 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)C2CCCC2)c1 749375492 JPBCOECKWNJRFV-CQSZACIVSA-N 269.388 3.847 30 20 CHED N#Cc1ccc(SCC[C@@H](O)c2ccccc2)c(F)c1 795224119 UCZPWXDUDLUMKE-OAHLLOKOSA-N 287.359 3.913 30 20 CHED CCCCCCC[C@H](C)CN[C@@H]1CCOC[C@@H]1C 792924966 ZSQSNWVOPPPNQS-HRCADAONSA-N 255.446 3.998 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(C)c(C#N)c1)C1CC1 799333279 ODVMKULQLLJUBZ-GXTWGEPZSA-N 284.403 3.906 30 20 CHED CC[C@H](C)CON=Cc1ccc(OC)c(OC(F)F)c1 793146718 VABADPZABGOBTG-JTQLQIEISA-N 287.306 3.693 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccccc1OC(F)F 90450867 YAONWULGWJKOHO-LBPRGKRZSA-N 285.334 3.531 30 20 CHED C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](C#N)C1 1308063956 KVLAORQLCJISDB-VXGBXAGGSA-N 298.308 3.882 30 20 CHED C[C@@H](Sc1ccnc(C#N)c1)c1ccccc1F 1306948023 WPPCGKLKIIBPMF-SNVBAGLBSA-N 258.321 3.946 30 20 CHED N#Cc1cncnc1Nc1ccc(CCC(F)(F)F)cc1 1306987554 BZABERQMMTXHMT-UHFFFAOYSA-N 292.264 3.587 30 20 CHED CCCC[C@H](CC)CCCN(C)c1ccnc(C#N)n1 1163753856 GWYFWZBDERGXAY-AWEZNQCLSA-N 274.412 3.781 30 20 CHED C[C@H](NCc1cc(O)ccc1Cl)c1ccc(C#N)cc1 1307763996 YKUZCZFSTLOBQL-NSHDSACASA-N 286.762 3.768 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccc(Cl)s2)nn1 1318580140 KWRDMNFZAZIIBH-UHFFFAOYSA-N 294.811 3.935 30 20 CHED CN(CC1CCC1)c1c(Br)cccc1C#N 1613023267 UNHHNMAISHPTRC-UHFFFAOYSA-N 279.181 3.557 30 20 CHED N#Cc1cccc(-c2nnc(CCCc3cccs3)o2)c1 1326302083 LEZVPMNTTPQJMP-UHFFFAOYSA-N 295.367 3.845 30 20 CHED COc1ccc(O)c(/C=N\Cc2cccc(C(F)F)c2)c1 1325944320 UEYQNQUKGSADAR-GRSHGNNSSA-N 291.297 3.958 30 20 CHED Cc1ccc(NC(=O)CC#Cc2ccccc2)c(C)c1 1252944569 LIODXMVNUJPAQA-UHFFFAOYSA-N 263.340 3.684 30 20 CHED N#CCc1ccc(COC(=O)CC(C2CC2)C2CC2)cc1 1324923833 FVTAZJSGRBRBEL-UHFFFAOYSA-N 283.371 3.622 30 20 CHED CC[C@@H]1C[C@H]1COc1nc(C(C)(C)C)ccc1C#N 1652055060 FLCCAEPAEOEUPU-YPMHNXCESA-N 258.365 3.676 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1nncn1CC 1334722498 ASQFHAWBAAFTDT-ZDUSSCGKSA-N 298.390 3.506 30 20 CHED C=C(C)CCC(=O)NCc1ccc(C(F)(F)F)cc1 1338606840 BBHPMRXVTJILSI-UHFFFAOYSA-N 271.282 3.678 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc(Cl)cc(Cl)c1 1338327173 BZJUZSGTCHOXLV-LBPRGKRZSA-N 285.174 3.758 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(-c2cnco2)cc1 1336215715 FCDQIBRMYSAJKX-MRXNPFEDSA-N 296.370 3.912 30 20 CHED CCCC[C@](C)(F)C(=O)OCCc1ccc(C#N)cc1 1261592007 XECZYBAUGYJYMN-INIZCTEOSA-N 277.339 3.562 30 20 CHED C[C@@H]1C[C@H](CC(=O)Nc2cccc(C#N)n2)CC(C)(C)C1 1437072891 IBOKIRDOGFDTMW-CHWSQXEVSA-N 285.391 3.744 30 20 CHED N#Cc1cccc2c1CCN2C(=O)c1cc2occc2s1 1276606292 IZMXDMNPXFPIJT-UHFFFAOYSA-N 294.335 3.569 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](c1ncc(C)s1)C1CC1 1355025848 SUTNHMMUGXVHSJ-SMDDNHRTSA-N 278.421 3.621 30 20 CHED C=C(CC)C(=O)Nc1cc(C)c(Cl)cc1OC 1350795045 UXKYRBCPUOZOGJ-UHFFFAOYSA-N 253.729 3.562 30 20 CHED CC(C)(C)C1CCC(CNC(=O)c2cc(C#N)ccn2)CC1 1355742417 QIASXQNOIMPPHF-UHFFFAOYSA-N 299.418 3.536 30 20 CHED CS[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 224399066 ZHVXRKLWEUIDOR-APHBMKBZSA-N 274.433 3.883 30 20 CHED CC1(C)C[C@@]1(C)Nc1nccc(Oc2cccc(C#N)c2)n1 1458498160 UQDNAXJDWWIXRB-QGZVFWFLSA-N 294.358 3.741 30 20 CHED CC(C)c1ccccc1C(=O)NCc1cc(C#N)ccc1F 1537744617 ZAESWMSPMYPXBJ-UHFFFAOYSA-N 296.345 3.751 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 1602869297 CJRRQQSMMAUVCJ-HUUCEWRRSA-N 295.423 3.520 30 20 CHED C[C@H](CNc1ncc(C#N)cc1Br)C(C)(C)C 1559281242 MVUQXTCVPGLOJI-SECBINFHSA-N 296.212 3.810 30 20 CHED CCC[C@@H](CC)C(=O)N(CCC#N)CC(CC)CC 1628441050 FQNFESQVQAJTQY-OAHLLOKOSA-N 266.429 3.991 30 20 CHED CO[C@H]1c2ccccc2OC[C@H]1Sc1cccc(C#N)c1 1652689283 REGGWXQTFTWYSB-SJORKVTESA-N 297.379 3.799 30 20 CHED Cc1ccc([C@@H](C)Nc2ncc(C#N)cc2F)cc1 1651403097 AIFDCPOYMZUPOZ-LLVKDONJSA-N 255.296 3.574 30 20 CHED CC(C)C(C)(C)CNC1CC(C#N)(c2ccccc2)C1 232676056 YYUPABWWBHJXOJ-UHFFFAOYSA-N 270.420 3.882 30 20 CHED C=CCCC1(C(=O)O)CCN(CCC(C)(C)CC)CC1 1776173208 PQHMSEITEDKTCH-UHFFFAOYSA-N 281.440 3.946 30 20 CHED Cc1c(NN=C/C=C/c2cccc(F)c2)cccc1C(=O)O 1776088951 SUBVWWFMAINUIC-FZRCAYGRSA-N 298.317 3.943 30 20 CHED O=C(O)c1ccc(NN=C2C[C@H]3CCCCC[C@@H]3C2)cn1 1776072831 PSLIQPGNUQMUOY-VXGBXAGGSA-N 287.363 3.538 30 20 CHED Cc1cccc(Cl)c1NN=Cc1ccc(C(=O)O)cc1 1776060199 JAIJPRHYUNCIBN-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CCC(=NNc1ccc(C(=O)O)c(F)c1)c1ccsc1 1776075725 ZOJYKXAVZNJXHK-UHFFFAOYSA-N 292.335 3.812 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2ccc(C)c(C(=O)O)c2)c1 1777440556 UAOQQOLDRANVDO-SOFGYWHQSA-N 296.322 3.603 30 20 CHED CC(C)[C@H](NCc1ccc(C#N)o1)c1ccccc1 135135202 BDRMKKYJCDQZNI-INIZCTEOSA-N 254.333 3.638 30 20 CHED Cc1ccc(C(=O)CCC(=O)Nc2cccc(C#N)c2)s1 11372182 BCCGIFXKDBIYIK-UHFFFAOYSA-N 298.367 3.530 30 20 CHED N#Cc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])c(Cl)c1 15117048 HWTYIVMUZWGNJI-UHFFFAOYSA-N 299.673 3.784 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 15659104 ZAYLWXYLTRCXLP-UHFFFAOYSA-N 287.322 3.601 30 20 CHED Cc1ccc(CCC/N=C/c2cccc(O)c2O)c(C)c1 17309558 QCQZNMPYOSZORU-XDHOZWIPSA-N 283.371 3.766 30 20 CHED C=CCN(C)C(=O)CCCc1csc2ccccc12 161949033 TWMACPUKJKQFEB-UHFFFAOYSA-N 273.401 3.868 30 20 CHED C#Cc1cccc(NC(=O)Cc2cccc(OCCC)c2)c1 153051574 DZVLWDOOJDCDLK-UHFFFAOYSA-N 293.366 3.638 30 20 CHED CC(C)(C#N)CCN(Cc1ccc(F)cc1F)C1CC1 157717731 LPBHKTLBCPKESJ-UHFFFAOYSA-N 278.346 3.869 30 20 CHED C=C[C@H](CC(=O)Nc1nc(C)cs1)c1ccccc1 155630443 BQBDCKUESJGFTF-GFCCVEGCSA-N 272.373 3.750 30 20 CHED C=C[C@H](CC(=O)Nc1ncccc1C)c1ccccc1 154460179 KEPDLLASTAJMBI-CQSZACIVSA-N 266.344 3.688 30 20 CHED C=CCCCCCN(C)C(=O)c1cnn(-c2ccccc2)c1 156773725 AZIOJPXCXOVART-UHFFFAOYSA-N 297.402 3.691 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C(C)C)cccc1-c1ccccn1 159518150 OEHXPLSLMQJKLI-QGZVFWFLSA-N 294.354 3.762 30 20 CHED CC1(C(=O)Nc2ccc(F)c(C#N)c2)CCCCCC1 1125787390 WLMZYWBHVXGZAV-UHFFFAOYSA-N 274.339 3.996 30 20 CHED N#Cc1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1 152210916 GZSOMKSFPKPTGA-UHFFFAOYSA-N 292.672 3.742 30 20 CHED COc1ccc(SCCOc2ccccc2C#N)cc1 37143609 COCWKTWVUYVXHK-UHFFFAOYSA-N 285.368 3.738 30 20 CHED N#Cc1ccc(OCc2ccc([N+](=O)[O-])cc2Cl)cc1 49963891 RVUSEOQILHDUSN-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C=C(Br)CN1CCC[C@@H]1c1ccsc1 52441322 LLLSQYMDGZJDHF-LLVKDONJSA-N 272.211 3.794 30 20 CHED C=C(C)CCN(Cc1ccccc1)C[C@@H]1CCCO1 509328072 OPIWNFVLAVZICR-KRWDZBQOSA-N 259.393 3.634 30 20 CHED N#Cc1ccc(CNC(C2CCC2)C2CCC2)c(F)c1 324818063 VFTUDHAAXVRPSW-UHFFFAOYSA-N 272.367 3.756 30 20 CHED Cc1cc(C#N)cc(NCc2csc(C3CC3)n2)c1 449761079 UPIWFOGGPZHXDC-UHFFFAOYSA-N 269.373 3.813 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCc1cccc(C)c1 804834668 MEWNTQUEJGYRLO-UHFFFAOYSA-N 291.394 3.590 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccccc1SC 804834595 LBKWAJOGNWDPEQ-UHFFFAOYSA-N 295.407 3.684 30 20 CHED C#Cc1ccc(CNC(C)(C)COCc2ccccc2)cc1 809660471 PHWCRJKGKCGTFZ-UHFFFAOYSA-N 293.410 3.753 30 20 CHED N#CC[C@H]1CCCN(Cc2ccccc2Br)C1 397684822 UZDJVKUMGZGIOI-GFCCVEGCSA-N 293.208 3.575 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1oc2ccc(F)cc2c1C 56410051 YOHIBZGPGFKCCI-SNVBAGLBSA-N 288.322 3.502 30 20 CHED C=CCCO[C@H](C)c1nc(CCc2ccccc2)no1 113746340 DLGWAGJYIHUJFZ-CYBMUJFWSA-N 272.348 3.509 30 20 CHED CC[C@H](CC(=O)OCCCC#N)c1ccc(C)cc1 172424813 OCSZEAOFXSLIIW-CQSZACIVSA-N 259.349 3.726 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)s1 176957914 XUWVIQACAZWQRM-DLBZAZTESA-N 298.411 3.630 30 20 CHED COCc1ccccc1N[C@@H](C#N)C1CCCCC1 115606060 CHTWTUQHNHGSOU-INIZCTEOSA-N 258.365 3.717 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2Cc3ccccc32)c1 302121391 UNWFNHGDLRCWPA-MRXNPFEDSA-N 276.339 3.513 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 69311680 CGJCGOZPFJRUEP-SNVBAGLBSA-N 287.281 3.625 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1cc2ccccc2s1 176988856 XPSKFHCAEOOBRF-BQYQJAHWSA-N 282.368 3.839 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)oc1C 119040541 WGCDPQHVWJHKIG-INIZCTEOSA-N 282.343 3.649 30 20 CHED C=C(C)[C@@H](NC(=O)C1CC=CC1)c1ccc(F)c(F)c1 186076248 RNGSWNLNBLSCPU-OAHLLOKOSA-N 277.314 3.664 30 20 CHED C[C@@H](C[C@H](O)c1ccco1)Nc1cc(Cl)ccc1C#N 301904213 PMANLJGDKSPPEW-HZMBPMFUSA-N 290.750 3.729 30 20 CHED O=C1/C(=C\c2ccccc2F)Cc2ccc(F)cc21 176410014 LDDABKFBGQIORH-WQLSENKSSA-N 256.251 3.787 30 20 CHED N#Cc1ccc(NCc2cc(Br)cs2)cc1 20475105 ICKJZZQWSAQJFR-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C=CCOCCCC(=O)N(C)c1cccc(C(C)C)c1 173823381 VHRBYLNAUPGYAN-UHFFFAOYSA-N 275.392 3.756 30 20 CHED C=C[C@H](CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 179452726 RVEADZCRHIFTSL-QGZVFWFLSA-N 290.366 3.534 30 20 CHED Cc1ccc([N+](=O)[O-])c(NCc2cc(C#N)ccc2F)c1 301569381 NPGCWEYRISTMSD-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CCN(CC)/C(N)=N/Cc1ccccc1Oc1ccccc1 303881833 LDPIPZMNXZTZCC-UHFFFAOYSA-N 297.402 3.635 30 20 CHED CCN(Cc1c(Cl)ccc2cccnc12)C[C@H](C)C#N 66425049 BVNQXNXGNQWACL-GFCCVEGCSA-N 287.794 3.870 30 20 CHED CN(Cc1ccc(C#N)cc1)[C@@H]1CCc2ccc(F)cc21 177683929 KMQPWVJMNCFCAH-GOSISDBHSA-N 280.346 3.817 30 20 CHED CC(C)c1nc2ccc(Nc3nccnc3C#N)cc2s1 301150773 CYWMKVNSUOEWGA-UHFFFAOYSA-N 295.371 3.825 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(COCC2CC2)c1 117003790 ZBFANNRYKWICPG-CYBMUJFWSA-N 288.391 3.699 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@H]2CCCC[C@@H]2C1 130409792 GGFPBTPCBCIUGH-HZPDHXFCSA-N 284.403 3.579 30 20 CHED CC(C)c1ccc(CN(C)C(=O)NCCCCC#N)cc1 170887028 QBJNARRMCMNDON-UHFFFAOYSA-N 287.407 3.645 30 20 CHED Cc1ccccc1CCN[C@H](C)c1ccc(OCC#N)cc1 178221561 RKNQNDNGRYWUTN-MRXNPFEDSA-N 294.398 3.791 30 20 CHED C=CCCCC(=O)Nc1cccc(Cl)c1OCCOC 177772334 VHMQUPVOQRWVRZ-UHFFFAOYSA-N 297.782 3.660 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H]1CCCc2c1cnn2C 414311180 XPAYOUZWTJRHQI-WMZOPIPTSA-N 295.430 3.575 30 20 CHED Cc1ccc(-c2nc(CNc3ccc(C#N)nc3)co2)cc1 301586301 WEUFEPGFCNCHKO-UHFFFAOYSA-N 290.326 3.529 30 20 CHED Cc1cc(Sc2ccc(C#N)cc2)nc(C(C)C)n1 507141343 JJJLPLOIFYEGBI-UHFFFAOYSA-N 269.373 3.931 30 20 CHED Cc1cccc2c(CCC(=O)OCC(C)(C)C#N)c[nH]c12 180086717 FSBFXAPKGKRLHY-UHFFFAOYSA-N 284.359 3.502 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)Oc1ccc(C#N)cc1 129342310 BSCNMTRFYPKFCU-UONOGXRCSA-N 283.352 3.637 30 20 CHED Cc1cc(C(=O)NC2(C#N)CCC2)c(C)n1C1CCCCC1 408153498 KRTRSWMJXJMKBB-UHFFFAOYSA-N 299.418 3.786 30 20 CHED C=C(C)COc1cc(CN2CCC[C@@H]2C)ccc1OC 124405506 IHKOHJAOIOCSBX-AWEZNQCLSA-N 275.392 3.634 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)c([N+](=O)[O-])c2)cc1C 33474229 RVKHKZFBVWEOHL-DAXSKMNVSA-N 297.310 3.813 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)Cc1ccc(Cl)cc1Cl 120669877 KEAPDZAPZLXZOO-CQSZACIVSA-N 299.201 3.590 30 20 CHED Cc1cc2cc(C(=O)O[C@H](C#N)C(C)C)oc2cc1C 123766485 UGUKRIRWZSUICN-OAHLLOKOSA-N 271.316 3.755 30 20 CHED Cc1cc(C)cc(C(=O)N[C@H](C)c2cccc(C#N)c2)c1 75276874 QSUCAJNWFMRFBD-CQSZACIVSA-N 278.355 3.666 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccsc2Br)C1 282426241 MDTAQFOYZGAFHQ-ONGXEEELSA-N 299.237 3.683 30 20 CHED C=C(CN[C@@H](C)Cc1cccs1)c1ccccc1 211887357 VOBWIPFAGCOWMT-AWEZNQCLSA-N 257.402 3.982 30 20 CHED CCN(Cc1cscc1C(F)(F)F)C[C@H](C)C#N 356084853 LTRMLJFBQLWYDT-SECBINFHSA-N 276.327 3.748 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2ncco2)c1 189015030 WCMUQJZQPMXFCI-INIZCTEOSA-N 270.332 3.882 30 20 CHED C=C(C)CCc1noc([C@H]2Cc3cc(C)c(C)cc3O2)n1 508598228 FVZMQWMTDQHCPG-OAHLLOKOSA-N 284.359 3.871 30 20 CHED CC(C)[C@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182123259 DZGDFDGEGPWJEC-OLZOCXBDSA-N 274.364 3.598 30 20 CHED Cc1ccc(CN(C)Cc2cccc(C#N)c2)cc1F 507241933 CFFSNGOKZKZFKK-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C=CC[C@@H](C(=O)N(C)Cc1ccoc1C)c1ccccc1 188581752 KWTUILPWLCONIZ-QGZVFWFLSA-N 283.371 3.906 30 20 CHED C#CCSCCN[C@H](CC)c1ccc(Cl)s1 129989321 AQFHSSOZDDUJFQ-SNVBAGLBSA-N 273.854 3.809 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1ccccc1Cl 182599296 SXZZDPWLFYEPEE-LBPRGKRZSA-N 281.783 3.580 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(C)Cc2ccccc2C1 188562533 RVDXVHXTWKJIER-GOSISDBHSA-N 271.404 3.510 30 20 CHED CC[C@](C)(C#N)NC(=O)CCc1ccc(C(C)C)cc1 127152469 YGBDKORDLHTEQN-QGZVFWFLSA-N 272.392 3.551 30 20 CHED CCSc1cccc(CNc2cccnc2C#N)c1 488678513 SQGNSPCETMGXAJ-UHFFFAOYSA-N 269.373 3.677 30 20 CHED N#Cc1cccc(CN2CCc3c([nH]c4ccccc34)C2)c1 39228604 PVYLKKOHQLOHBK-UHFFFAOYSA-N 287.366 3.598 30 20 CHED CC(C)(C)OC(=O)CC[C@@H]1CCCN(CCCCC#N)C1 412077050 STBPVOZQHGSAOR-HNNXBMFYSA-N 294.439 3.514 30 20 CHED CCc1ccc([C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 75481297 FKNIKXHIJHMXOR-CQSZACIVSA-N 284.403 3.695 30 20 CHED C=CCCC(=O)N[C@H](COc1ccccc1)c1ccccc1 502345482 LSMNMECSHFOZSH-GOSISDBHSA-N 295.382 3.889 30 20 CHED Cc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1C 78022976 CANMWZMLHYVDKU-AATRIKPKSA-N 255.292 3.734 30 20 CHED Cc1ccc(CN(C)Cc2cccc(C#N)c2)c(C)c1 506016215 GHZXDVQSBAVYNE-UHFFFAOYSA-N 264.372 3.807 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccsc1Cl 189358979 XXYIHHDNVYDHPD-UHFFFAOYSA-N 283.784 3.559 30 20 CHED CCCCCN(CCCOC)Cc1ccc(F)c(C#N)c1 505906218 MKXSKCMPVHECKG-UHFFFAOYSA-N 292.398 3.726 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1cc2cc(C)c(C)cc2o1 417604520 BWAYRJPVXOQOPS-AWEZNQCLSA-N 287.359 3.559 30 20 CHED CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NCCCCC#N 182324867 QBTNUSHLCHKLPI-SJORKVTESA-N 286.419 3.654 30 20 CHED C=C[C@H](CC(=O)NCC(C)(C)CCOC)c1ccccc1 185745955 LALFBYBFSSQCPW-OAHLLOKOSA-N 289.419 3.525 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)c1cccc(OC)c1 501248838 OYYTXLRFABSJIK-UHFFFAOYSA-N 296.370 3.602 30 20 CHED N#Cc1csc(C(=O)Oc2ccc3ccccc3c2)c1 83938201 GUKLLIBGMGKULM-UHFFFAOYSA-N 279.320 3.992 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnc(-c2ccccc2)s1 410127481 ADHZRYSXTDYULB-ZDUSSCGKSA-N 286.400 3.895 30 20 CHED C[C@H](CCC#N)N1CCC(Cc2ccc(F)cc2)CC1 411222011 GMDLXUHGOJQYAI-CQSZACIVSA-N 274.383 3.772 30 20 CHED C=CCc1ccccc1OCC(=O)c1cc(C)n(C)c1C 48404359 LXYQROKMIFKJQE-UHFFFAOYSA-N 283.371 3.632 30 20 CHED N#Cc1ccccc1NC(=O)c1sccc1Cl 82338405 NLWZULBABKUUTP-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2ccc(Cl)cn2)cc1 191935544 SIEZKKJELJEXES-LLVKDONJSA-N 287.750 3.638 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cc(F)cc(Cl)c1 459446278 DVMDQCKWXMZNLD-UHFFFAOYSA-N 283.734 3.540 30 20 CHED O=C(C#Cc1ccccc1)N1CCCCC[C@@H]1c1ccco1 81786693 UKNVKUMSVNBRME-QGZVFWFLSA-N 293.366 3.775 30 20 CHED Cc1c(C(=O)[C@H](C#N)c2ccccn2)oc2ccc(F)cc12 41493383 ZBMNSSIBYZGIBW-CYBMUJFWSA-N 294.285 3.765 30 20 CHED C=C(Cl)CNC(=O)[C@H](c1ccccc1)[C@H](C)CC 134810657 FMMUOIOLPYZWKX-RISCZKNCSA-N 265.784 3.685 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CC[C@H](SC)C1)c1ccccc1 136198257 FTVIHYMWZOFDJU-BMFZPTHFSA-N 289.444 3.747 30 20 CHED CC(C)(C)c1ccccc1C(=O)NCc1ccc(C#N)cc1 137345317 QITIDWAJEIVMAA-UHFFFAOYSA-N 292.382 3.786 30 20 CHED Cc1cc(C/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)no1 329703470 IUIUDDXQBCKEAF-MELADBBJSA-N 276.380 3.841 30 20 CHED N#Cc1ccc(OCc2ccc(C(=O)O)s2)cc1Cl 226055508 IVYRBGFZDFTSAD-UHFFFAOYSA-N 293.731 3.550 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)N2CCCC23CCCCC3)o1 329282497 MYBFSKLHGSXEOY-ZDUSSCGKSA-N 291.395 3.757 30 20 CHED COCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)(C)C 510978662 MQIOVQFLZZMGRT-BLLLJJGKSA-N 292.398 3.799 30 20 CHED C=CCCCCCCN[C@@H]1CCO[C@@H](C(C)C)C1 380814064 UTALJHYCZABBPH-HZPDHXFCSA-N 253.430 3.916 30 20 CHED N#CCCCSCc1ccn(-c2ccccc2F)n1 191023919 JHKKAQAHWYFWTQ-UHFFFAOYSA-N 275.352 3.548 30 20 CHED N#CCCCSCc1nn(-c2ccccc2)c2c1CCC2 190932400 NVKQAAUJLNGQIE-UHFFFAOYSA-N 297.427 3.898 30 20 CHED N#CC1(C(=O)Nc2ccc(Cl)c(F)c2)CCCC1 44318258 FKOKMJWVSQVKOG-UHFFFAOYSA-N 266.703 3.502 30 20 CHED N#CCCCS(=O)(=O)Cc1ccc(-c2ccccc2)cc1 190902625 MECWYMZKKCVUJQ-UHFFFAOYSA-N 299.395 3.572 30 20 CHED N#Cc1ccc(Br)c(CSCCCF)c1 191607821 QTXKAESPZLQSGY-UHFFFAOYSA-N 288.185 3.914 30 20 CHED C=CCC[C@@H](C(=O)NCC1(SC)CC1)c1ccccc1 194521433 CIHSLSDTIMQPCK-OAHLLOKOSA-N 289.444 3.748 30 20 CHED C=CCC[C@H](O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 511843598 KFDUMPMCJTUIIF-INDMIFKZSA-N 285.431 3.582 30 20 CHED C=CC[C@@H](CC)NC[C@H](O)COc1cccc2ccccc12 516277780 HUTNGPAMEGLLNH-SJORKVTESA-N 299.414 3.524 30 20 CHED N#C[C@]1(C(=O)NC23CC4CC(CC(C4)C2)C3)CC12CCCC2 333814043 HLIGNEDSMPLPSF-FBGXUUESSA-N 298.430 3.545 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2C#N)cc1F 194588673 NHFSEHKDUGFGJE-SOFGYWHQSA-N 281.286 3.602 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 93458976 UGOSLNDEJBJBSJ-YJBOKZPZSA-N 286.419 3.990 30 20 CHED CCN(CCNc1ccc(C#N)cc1)c1cccc(C)c1 514318758 CUZJNBDHFBETEN-UHFFFAOYSA-N 279.387 3.805 30 20 CHED N#CC1(c2nc([C@@H]3CCC(F)(F)C3)no2)CCCCC1 334870874 CFBODOFUPFZFMY-SNVBAGLBSA-N 281.306 3.698 30 20 CHED CC[C@H](C)[C@@H](C)N(CCOc1ccccc1C#N)C1CC1 517899108 JNIQTZZBKAXCGT-LSDHHAIUSA-N 286.419 3.836 30 20 CHED Cc1ccsc1CN1CCO[C@H](c2cccc(C#N)c2)C1 335487025 KMXGONGTEHBBGK-INIZCTEOSA-N 298.411 3.502 30 20 CHED Cc1ccc(Cl)cc1NC(=O)N1CCC(CC#N)CC1 335736784 ANRMKZIJKHYYGB-UHFFFAOYSA-N 291.782 3.806 30 20 CHED CC(C)c1cccc(N=C(O)N2CCC[C@@H]2CCCO)c1 330873091 SESVZCDXYUYTRN-MRXNPFEDSA-N 290.407 3.592 30 20 CHED CCCN(CC#N)Cc1cnc(-c2ccsc2)s1 92398290 BSZWRMQHHABEIE-UHFFFAOYSA-N 277.418 3.607 30 20 CHED N#Cc1ccc2nc(N3CC[C@@H]4CCCC[C@@H]43)ccc2c1 92893173 ARXZPBSPHRXWRP-YOEHRIQHSA-N 277.371 3.875 30 20 CHED CC(C)CCN(CCC#N)CC1=Cc2ccccc2OC1 93100869 BOQYEQLGISELLG-UHFFFAOYSA-N 284.403 3.724 30 20 CHED C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(C)(C)C 336343484 VBMODHFOGPIGGF-CQSZACIVSA-N 296.414 3.856 30 20 CHED C[C@@H]1CC(C)(C)CN1C(=O)c1cccc(SCC#N)c1 335220727 DBCDNGXJDGJATL-GFCCVEGCSA-N 288.416 3.563 30 20 CHED CC[C@@](C)(C#N)NC(=O)CSc1ccc(C(C)C)cc1 523355704 UAPBFVNZIBIHPK-INIZCTEOSA-N 290.432 3.711 30 20 CHED C[C@@H](Nc1c(C#N)cccc1C#N)c1c(F)cccc1F 436320716 VBTWBZMCDIFAGT-SNVBAGLBSA-N 283.281 3.881 30 20 CHED N#CCC[C@H](C#N)CNC[C@@H]1CCC[C@H]1c1ccccc1 520377420 JDFXOHYCGWMPFZ-NJAFHUGGSA-N 281.403 3.603 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2NCC2(CC#N)CC2)cc1 430755049 OTCZXAVNWXYSCN-SJORKVTESA-N 268.404 3.915 30 20 CHED Cc1cc(-c2nc3cc(F)c(F)cc3[nH]2)ccc1C#N 435695004 YVURLNKJDIUWGJ-UHFFFAOYSA-N 269.254 3.688 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 246843196 DAIFIRRTRKRUMR-DRZSPHRISA-N 297.320 3.890 30 20 CHED Cc1cc(NCCCc2c[nH]c3ccccc23)cc(C#N)n1 521086351 QBJGQMHRROSXHU-UHFFFAOYSA-N 290.370 3.788 30 20 CHED Cc1csc(NC(=O)CCc2cccs2)c1C#N 344916269 CJRFRMITVBJQAT-UHFFFAOYSA-N 276.386 3.561 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2Nc2cc(C#N)ccn2)cc1 342817866 SDONTXHEMVIERB-WMZOPIPTSA-N 293.370 3.594 30 20 CHED C=CC1CCN(Cc2cccc(OC(F)F)c2)CC1 523609451 QKFRTFLOHRBYFC-UHFFFAOYSA-N 267.319 3.686 30 20 CHED CC1(C)COc2cc(NC(=O)c3ccc(C#N)s3)ccc21 529646165 FJZRYXMYFXSCNI-UHFFFAOYSA-N 298.367 3.542 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)N(C)c1ccc(C#N)cc1 439930478 DUXYCCMKLLACMC-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED C[C@H](CN(C)C(=O)c1ccccc1CC#N)c1ccccc1 601032796 KPHLBNXZMCLWTL-OAHLLOKOSA-N 292.382 3.628 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(C#N)cc2)CCCC1(C)C 347469620 ORNJBLFVHNBRTP-INIZCTEOSA-N 282.387 3.765 30 20 CHED N#Cc1ccc(N[C@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 525706901 CVZJBPPEURUJEQ-HOCLYGCPSA-N 293.326 3.510 30 20 CHED Cc1nsc(NC2CC(c3ccccc3F)C2)c1C#N 343035675 VOYNXDMCPZWLSR-UHFFFAOYSA-N 287.363 3.820 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1CCCC1 342554567 WCIVRMDLLPMTIU-UHFFFAOYSA-N 289.423 3.559 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H]1c1ccc(F)cc1 602435117 QYODBNGRXAZBCX-XJKSGUPXSA-N 260.356 3.902 30 20 CHED CC[C@@H](NCC1(C#N)CC1)c1ccccc1OC(F)F 343584300 UXVVINWGGQKKCQ-GFCCVEGCSA-N 280.318 3.632 30 20 CHED C=CCCN(C)C(=O)c1cc(C)cc(C)c1Br 342016181 IAXLXTUZNJSPJA-UHFFFAOYSA-N 296.208 3.714 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CC1CCC(C)(C)CC1 437489209 GODQQVRODXOABX-RDJZCZTQSA-N 293.451 3.690 30 20 CHED C[C@H](C(=O)NCC(C)(C)CCC#N)c1cc2ccccc2o1 345916576 WWTYTAJLSHUGQM-ZDUSSCGKSA-N 298.386 3.982 30 20 CHED CC(C)(CCC#N)CNC(=O)CC(C)(C)c1ccccc1 345908397 NSCAZDCOBLJCKG-UHFFFAOYSA-N 286.419 3.800 30 20 CHED CCCN(C(=O)c1ccco1)c1cc(Cl)ccc1C#N 609286259 QLBJPYVNECYTSQ-UHFFFAOYSA-N 288.734 3.861 30 20 CHED N#Cc1cnccc1/C=C\c1sccc1Br 349105627 GVAFANFTHJBCFG-UPHRSURJSA-N 291.173 3.948 30 20 CHED Cn1ncc(NCc2cccc(C#N)c2)c1-c1ccccc1 342197074 BJKXQEPEWRMEBH-UHFFFAOYSA-N 288.354 3.571 30 20 CHED N#CCc1ccccc1C(=O)NCCCCc1ccccc1 600977391 GMRRKVPBATYPNC-UHFFFAOYSA-N 292.382 3.505 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(C#N)s2)o1 255497824 GYAIDGPRSMVLLP-SREVYHEPSA-N 257.314 3.671 30 20 CHED Cc1cc2cc(CNc3snc(C)c3C#N)ccc2[nH]1 343805703 IZHQQUZBHVIDTB-UHFFFAOYSA-N 282.372 3.725 30 20 CHED COc1cccc(/C=C2/Cc3ccc(C)cc3C2=O)c1OC 255327554 SKIJRPRMRCWSLH-PTNGSMBKSA-N 294.350 3.835 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)OCCCC#N 255901863 RDPPHXCFCUSWLT-PKNBQFBNSA-N 263.724 3.590 30 20 CHED CC(C)C[C@@H](C)CC(=O)N(CCC#N)CC(C)(C)C 344477157 UYJJMDYKKGMQFA-CQSZACIVSA-N 266.429 3.847 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl 448985777 YYMZDPKJXCXLGE-JMSVASOKSA-N 290.794 3.847 30 20 CHED C=CCCOCC(=O)N(C)c1cc(Cl)cc(Cl)c1 603452578 PWBGCCDLIQLDQX-UHFFFAOYSA-N 288.174 3.549 30 20 CHED CCOc1cccc(C=Nc2cccc(F)c2)c1O 254412221 LOFOQJNKRLJTKD-UHFFFAOYSA-N 259.280 3.681 30 20 CHED CC1(C#N)CCC(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)CC1 449100468 RCDKGAQZCQKMSR-PDYTYLKYSA-N 272.436 3.873 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@H](c1cccs1)n1cccc1 353790351 VQMLCFLMHFGFMF-ZIAGYGMSSA-N 288.416 3.610 30 20 CHED C=CCOCCCOc1ccc(C(C)=O)cc1Cl 355930300 ABRDLLSAQRRSLT-UHFFFAOYSA-N 268.740 3.514 30 20 CHED C[C@H](C#N)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 351752911 SZLJUGVVOJBXTE-CQSZACIVSA-N 296.345 3.514 30 20 CHED N#Cc1cccc(N2CC3(CCC3)c3ccccc32)n1 357607088 DGQVVNVBFABRBH-UHFFFAOYSA-N 261.328 3.527 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(C#N)c1 609034488 WYJLXUIAMLYSQO-WBVHZDCISA-N 284.403 3.893 30 20 CHED N#CC1(Cn2cc(-c3cccc(C4CCC4)c3)nn2)CC1 603227038 KGBXIOHUPOIZPJ-UHFFFAOYSA-N 278.359 3.516 30 20 CHED COc1ccccc1C(C)(C)CNC[C@@H](C)CCC#N 602530122 DOMWMXIQGWEIHZ-AWEZNQCLSA-N 274.408 3.502 30 20 CHED C=CC[C@H]1N(C(=O)NC(C2CC2)C2CC2)CCCC1(C)C 444882585 UELDKHYRFHDJOE-OAHLLOKOSA-N 290.451 3.951 30 20 CHED C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1C 350083906 XIBYJZKONFSYCK-LBPRGKRZSA-N 290.436 3.583 30 20 CHED N#C[C@]1(F)CCN(Cc2ccc(-c3ccsc3)cc2)C1 618308130 UMYIYYFVAHJPKA-MRXNPFEDSA-N 286.375 3.853 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCCN(C2CCCCC2)C1=O 443090339 BOYWMOHSBMKFBJ-UXLLHSPISA-N 292.467 3.500 30 20 CHED C=C(CC)CNCc1cn(C)nc1-c1ccccc1Cl 449729695 BMBNRWFZPSGNLR-UHFFFAOYSA-N 289.810 3.796 30 20 CHED CCN(Cc1ccccn1)c1nc(C(C)(C)C)ccc1C#N 613426672 HUWNVSLQFPDLDA-UHFFFAOYSA-N 294.402 3.672 30 20 CHED C=CCCSCc1nc(-c2ccccc2C)no1 610091989 CIWGCDHPBHUKAH-UHFFFAOYSA-N 260.362 3.854 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)oc1C 532267797 FXBDONVBZKWHMQ-GFCCVEGCSA-N 293.326 3.571 30 20 CHED C=C[C@H](CC(=O)N1CCC(C(F)F)CC1)c1ccccc1 533932017 ZMOBRAVNHADSHY-CYBMUJFWSA-N 293.357 3.850 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnn(CCC(C)C)c1C 352525566 GXALOSHFSBJXGM-UHFFFAOYSA-N 291.439 3.570 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H](CC)c1ccc(C)cc1 359407446 YPZJOUPOZXDGSH-MRXNPFEDSA-N 284.403 3.807 30 20 CHED C=CCOCC(=O)Nc1nc2c(ccc3ccccc32)s1 356751582 UMHYXNPRNCHXDV-UHFFFAOYSA-N 298.367 3.591 30 20 CHED C=C(C)[C@H](CC(=O)N(CC1CC1)C1CCCCC1)OCC 533675171 KBZZKFIQRXYCAR-KRWDZBQOSA-N 293.451 3.929 30 20 CHED C=CCN(Cc1cccc(-c2ccccn2)c1)C1CC1 350266061 METGSCQXAPZTRC-UHFFFAOYSA-N 264.372 3.899 30 20 CHED C=CCC[C@@H](NC(=O)CSC(C)C)c1ccccc1 533260923 LJRIKVONULJGKZ-OAHLLOKOSA-N 277.433 3.952 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 537518135 DKODANLSOUSDCQ-MBNYWOFBSA-N 276.380 3.557 30 20 CHED N#Cc1cccc(Cl)c1N[C@@H]1CCOC2(CCC2)C1 269000715 XZWLAXRDOCRORM-GFCCVEGCSA-N 276.767 3.725 30 20 CHED CC(C)(C)c1ccccc1OCCN[C@H]1CC[C@@H](C#N)C1 442873140 KQZSOCTYLUWBSV-CABCVRRESA-N 286.419 3.645 30 20 CHED N#Cc1cc(N(C#N)CCCCC(F)(F)F)ccc1F 269737656 ILSNSNDJMHHFSO-UHFFFAOYSA-N 285.244 3.717 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCCC[C@@H]1CC 538603346 ATMVVRIJEFLWAG-MELADBBJSA-N 252.402 3.609 30 20 CHED C=CCCOCc1nc(-c2ccc(CSC)cc2)no1 612909227 ISWNMGCWODWPCS-UHFFFAOYSA-N 290.388 3.692 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)c(F)c(F)c1 537252729 GIINACVUIWRDQI-VIFPVBQESA-N 286.297 3.970 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(CC#N)cc1Cl 452657590 VZMMMWCCHPOKHG-SNVBAGLBSA-N 264.756 3.781 30 20 CHED N#Cc1ccc(S[C@@H]2CCc3ccc(F)cc32)nc1 360394840 HHBJAKCXLSMVMT-CQSZACIVSA-N 270.332 3.872 30 20 CHED C=CCCCN[C@@H](c1ccc(Cl)cc1)c1nccn1C 453214383 JRBHWTPIFKVCHQ-HNNXBMFYSA-N 289.810 3.719 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC=C(C(F)(F)F)CC1 270161585 IOTWTQLYCPKKTE-NSHDSACASA-N 280.293 3.814 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(CC(F)(F)F)c1 454881810 CBDMDLROGDGJRL-UHFFFAOYSA-N 286.297 3.879 30 20 CHED CC[C@@H](CN1CCC[C@@](C)(C#N)C1)c1ccccc1 612406481 NIYOIJUVQZWEFW-RDJZCZTQSA-N 256.393 3.806 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cnc(C(C)C)s2)C1 617782251 AVFGEEQWYWBMKI-LBPRGKRZSA-N 278.421 3.695 30 20 CHED C=CCCN(C)C(=O)c1c(Cl)cc(C#N)cc1Cl 615822533 LVJWCSGLKXHVPS-UHFFFAOYSA-N 283.158 3.513 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H](C)CC1CCCC1 545297493 QKPYVCIRDCBHNZ-LBPRGKRZSA-N 286.375 3.722 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(COc2ccc(C#N)cc2)n1 547105754 SFWOTLNSYDZPBH-IUODEOHRSA-N 297.358 3.814 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccoc2C(C)C)n1 361648647 TXGQGZJHBWGRDW-LLVKDONJSA-N 274.345 3.658 30 20 CHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CCCC2 549552546 BCRLIZVCVIXACX-LBTNJELSSA-N 268.404 3.908 30 20 CHED CC[C@H](C)Oc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 274004557 YNLUFMGQJKBBSK-LBPRGKRZSA-N 297.358 3.859 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 452773177 HSYKMRSHLBRNKS-SNVBAGLBSA-N 299.773 3.575 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cc(C)ns1 362932881 ZLPFAJVFRDRLDV-UHFFFAOYSA-N 290.413 3.982 30 20 CHED CCCCCCCCN[C@@H](C)C1CCN(C)CC1 160809521 AYLRHKZYEGFUMS-HNNXBMFYSA-N 254.462 3.667 30 20 CHED CC(C)N(CC1CCC1)C(=O)N[C@H](C)c1ccc(C#N)cc1 277979106 VPTBYLDWLPFXSW-CQSZACIVSA-N 299.418 3.839 30 20 CHED N#Cc1ccc(N2CCC(c3cccc(F)c3F)CC2)cn1 364913906 AVNPDWQPIWBLPZ-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)C[C@@H]1CC 540489879 HJTRAMSHUQCQCH-IHRRRGAJSA-N 252.402 3.561 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(SC)c1)OCC 270036666 FXKMIFSWKIBSST-AWEZNQCLSA-N 279.405 3.718 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CCC)c1ccccc1 276163558 RSWIFKXFHANDFC-HNNXBMFYSA-N 260.381 3.745 30 20 CHED C=CCC[C@@H](CCC)NC[C@H]1CCCn2cc(C)nc21 374575739 MZGRJYGLMJFFTG-HZPDHXFCSA-N 275.440 3.793 30 20 CHED C=C(C)Cn1c(N2CC[C@@H](C)[C@@H](C)C2)nnc1C(C)(C)C 549260364 DEBYYQSBDYVWNI-KGLIPLIRSA-N 290.455 3.634 30 20 CHED C=CCCN(C)C(=O)C(C)(C)c1ccc(CC)cc1 466635690 PSTZBCGAZUPPEE-UHFFFAOYSA-N 259.393 3.561 30 20 CHED C=CC[C@@H](CC)NC/C=C\c1ccc(F)cc1F 466387113 TUKLPZANDMWROK-BRLPQQTGSA-N 251.320 3.922 30 20 CHED CCc1ccc(C(C)(C)C(=O)N2CCC(CC#N)CC2)cc1 541050370 NFXKBYKEWJLIGZ-UHFFFAOYSA-N 298.430 3.679 30 20 CHED Cc1cc(CNCCC2C[C@H](C)O[C@@H](C)C2)ccc1C#N 548990757 XIFOCVABBOVTAS-GJZGRUSLSA-N 286.419 3.550 30 20 CHED C=CCCN(C)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 466968499 YPOSCIJFHKSBAS-BLLLJJGKSA-N 290.382 3.667 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)cc1 370107642 NQTPCPZNQAZWAQ-NILFDRSVSA-N 281.311 3.559 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2ccc(Cl)cc2n1 282234779 IBXHANUWYDPBIC-UHFFFAOYSA-N 287.750 3.767 30 20 CHED Cc1ccc([C@H](C)NCCCC2(C#N)CCOCC2)cc1 281929680 HWFJUWHJTZCTGU-INIZCTEOSA-N 286.419 3.746 30 20 CHED CC[C@@](C)(C#N)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 286016811 ROBABKGCXIMAKF-LMMKCTJWSA-N 294.398 3.773 30 20 CHED Cc1ccc2c(c1)CN(CCCC(C)(C)C#N)CCO2 285444186 FVATYFSBRNBFQO-UHFFFAOYSA-N 272.392 3.519 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(NC)s1 289487415 CLBTXNPBQGKZBS-UHFFFAOYSA-N 266.410 3.608 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2CCCC[C@H]2C)no1 289052845 FSLYBWZBKFLIIR-AAVRWANBSA-N 276.380 3.812 30 20 CHED C=CCCN(C)C(=O)[C@H](c1ccccc1)[C@H](C)CC 468183324 OEWJNSIKLNTQRD-ZBFHGGJFSA-N 259.393 3.851 30 20 CHED C[C@@H](C(=O)N1CC[C@@H](C)C(C)(C)C1)c1cccc(C#N)c1 462582555 UPRHYUQIQLTWEY-ZIAGYGMSSA-N 284.403 3.556 30 20 CHED Cc1cc(F)c2c(c1)CCCN2C(=O)c1cc(C#N)oc1C 280912940 FBWAARAHAARELR-UHFFFAOYSA-N 298.317 3.500 30 20 CHED CC(C)(C#N)CCNc1ccccc1OCC(F)F 288739577 OUMQDQDNTRYUNW-UHFFFAOYSA-N 268.307 3.682 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 468016893 KNKAIMVTAWGYHZ-MLGOLLRUSA-N 295.810 3.826 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)C1 285404364 CRIHDACBYAJLJE-MSOLQXFVSA-N 284.403 3.507 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)oc1C 280713357 DTMHLBDJQKPWEE-BJJXKVORSA-N 263.381 3.528 30 20 CHED C=C(C)Cn1c(-c2ccccc2C)nnc1N(C)C1CCC1 460939390 SARAZOHLVRVCLS-UHFFFAOYSA-N 296.418 3.818 30 20 CHED CC(C)c1ccc(O[C@@H](C)CNc2ncccc2C#N)cc1 553318903 FTBNCBCNPNAJNP-AWEZNQCLSA-N 295.386 3.956 30 20 CHED C=CCC[C@@H](NC(=O)N[C@H]1C[C@@H]1C(F)F)c1ccccc1 554021731 LAWMVVNUWHWRIR-MJBXVCDLSA-N 294.345 3.647 30 20 CHED CC[C@H]1CCC1=NNc1ccc([N+](=O)[O-])cc1Cl 807969231 NVPOFUVZPIMDSL-QMMMGPOBSA-N 267.716 3.836 30 20 CHED Cc1cccc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)c1 806560229 JTVAPSQSXGPTFJ-QXSWTLKVSA-N 292.334 3.833 30 20 CHED C=CCC[C@H](NC[C@@H]1CCC[C@@H]1OC)c1ccco1 552061265 DHWWTYLVFLOYOR-KKUMJFAQSA-N 263.381 3.692 30 20 CHED Cc1nsc(C)c1C(=O)N[C@H](CCC#N)c1ccccc1 293317992 IOOQMFZZXMXXAJ-CQSZACIVSA-N 299.399 3.535 30 20 CHED C=CCCCCNC(=O)NCCc1cccc(Cl)c1 472843168 ZVQHSYORYWZZHO-UHFFFAOYSA-N 280.799 3.538 30 20 CHED Cc1nc(N2CCC[C@H]2c2ccc(F)cc2)ccc1C#N 291685353 RWGRGWDFEQYVAY-INIZCTEOSA-N 281.334 3.742 30 20 CHED C#C[C@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)C(C)(C)C 808294013 MORJUROCMJARKL-WBMJQRKESA-N 298.386 3.841 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(C(F)(F)F)[nH]1 807985759 NBOWVDVMFYDDLC-UHFFFAOYSA-N 285.244 3.927 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Br)cc1O 562402815 HHKADLOZGKOBKC-UHFFFAOYSA-N 298.180 3.696 30 20 CHED C#CC[C@H](NCc1cccc(OC)c1F)c1ccccc1 800249920 CKJWEPWOXTZROZ-INIZCTEOSA-N 283.346 3.689 30 20 CHED C=CCC[C@@H](N[C@H]1CCNC2(CCC2)C1)c1ccco1 643548478 PZRVBTHQODJXOY-LSDHHAIUSA-N 274.408 3.551 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H]1CCCOC1 806498979 JBJVFPKMIKZUOM-JKSUJKDBSA-N 298.471 3.803 30 20 CHED C[C@@H](OC(=O)C1(C(F)F)CCCC1)c1ccc(C#N)cc1 808479842 CTTUPPDSUNUXEZ-LLVKDONJSA-N 293.313 3.988 30 20 CHED C=CCN(CCc1ccccc1)[C@H](C)c1nnc(C)s1 298148926 OVHRDLXKMMLCRO-CYBMUJFWSA-N 287.432 3.638 30 20 CHED Cc1nc(N2[C@@H](C)C[C@H](CC(F)(F)F)[C@H]2C)ccc1C#N 295066068 ZNRKCNOYPJZKMQ-UFGOTCBOSA-N 297.324 3.817 30 20 CHED Cc1ccc(C)c(N(C(=O)CCCC#N)C(C)C)c1 291538789 SAVHUFZOSAEKOH-UHFFFAOYSA-N 258.365 3.739 30 20 CHED CC(C)(C)Oc1cccc(CSc2cccnc2C#N)n1 565844214 UKWKBBAVXJKUMW-UHFFFAOYSA-N 299.399 3.818 30 20 CHED CCC(=NNc1cc(F)c(F)c(F)c1)c1cccc(N)c1 814864187 SSRVWSJEHOVGNX-UHFFFAOYSA-N 293.292 3.912 30 20 CHED CC[C@@H](C)CON=C(C)c1cccc(CN(C)C)c1 814939262 KKWBHTJSPHCJQP-CYBMUJFWSA-N 262.397 3.535 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 481596705 LODOWRYWMSOXFF-LLVKDONJSA-N 277.343 3.644 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNC[C@H]1CCSC1 811658866 KTHOELMULYPVEG-MGPQQGTHSA-N 268.470 3.777 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1c[nH]nc1C 814887543 KFZXKNIIOXYGRR-UHFFFAOYSA-N 283.253 3.540 30 20 CHED C=CC[C@H](CC)NC[C@H](O)c1ccc(Cl)cc1Cl 819283053 GIPLMVMGHNECHO-FZMZJTMJSA-N 288.218 3.971 30 20 CHED CC(C)c1cnc(SCc2ccc(C#N)s2)n1C 569590360 KKYXTISIAXVEMV-UHFFFAOYSA-N 277.418 3.769 30 20 CHED CC1(C=NN=C2c3ccccc3-c3ccccc32)COC1 814779605 QECHZDUTIMULMD-UHFFFAOYSA-N 276.339 3.527 30 20 CHED CCN(CC)c1ccc(C=NN[C@H](C)c2ccncc2)cc1 819816319 ZIJZXBDYPKQZIR-OAHLLOKOSA-N 296.418 3.613 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 816603142 AKUHOJSKLXEVPI-GWCFXTLKSA-N 290.234 3.631 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC[C@@H]1C(C)(C)C#N 814935550 NRUJFZDYWLKQEV-ZBFHGGJFSA-N 299.418 3.749 30 20 CHED C=CCC(F)(F)C(=O)N(CC)Cc1ccc(Cl)cc1 814941799 UYHVLSBPTGCJCP-UHFFFAOYSA-N 287.737 3.900 30 20 CHED CCCCCCCCC(=O)NCc1occc1C 814144484 SMGZKRDHQJGSRZ-UHFFFAOYSA-N 251.370 3.955 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(C(C)(C)C)co1 653921104 MNCLUCJSENUSEN-UHFFFAOYSA-N 250.342 3.513 30 20 CHED C=CCCCCC[C@H](C)NCC1(SC)CCN(C)CC1 810252426 OXAZLKIHGSPRAP-INIZCTEOSA-N 298.540 3.928 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@@]1(C)CC1(Cl)Cl 819558220 PZASVCAMUIDPMR-LBPRGKRZSA-N 278.223 3.679 30 20 CHED COc1ccc(NN=C(C)c2ccc(C)nc2C)cc1 814885353 WUDVHERDFXDSIP-UHFFFAOYSA-N 269.348 3.543 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)cc1 728232931 YFQLWKPNMHKJHJ-UITAMQMPSA-N 268.312 3.605 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2=CCCCCC2)cc1 575034290 DXZKIJLCGOKDPB-QGZVFWFLSA-N 282.387 3.820 30 20 CHED C=CCN(Cc1cccc(C#N)c1)CC1(OC)CCCC1 483267883 DFBBUQNDPMJDDV-UHFFFAOYSA-N 284.403 3.505 30 20 CHED C=CCOCC(=O)Oc1cc(C)c(Cl)cc1C(C)C 729647774 DOXHOLGWXOHVHS-UHFFFAOYSA-N 282.767 3.880 30 20 CHED C=CCCCN(CCCO)[C@@H]1CCCc2ccccc21 494891050 GTKMBYKTQRQFKI-GOSISDBHSA-N 273.420 3.715 30 20 CHED N#CC1(CN[C@@H]2CCC[C@@H]2c2ccccc2Cl)CC1 576894265 NEEGOBXTWXVCBR-UKRRQHHQSA-N 274.795 3.869 30 20 CHED C/C(=C/C(=O)N[C@](C)(C#N)C1CCCCC1)c1ccco1 827855472 DMPHIXGLQCDERZ-QAAVPBIRSA-N 286.375 3.662 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(F)nc2)c1C 588524069 SDALERVMDKZERO-VURMDHGXSA-N 255.292 3.734 30 20 CHED C#C[C@H](N[C@H](C)[C@@H]1CCCOC1)c1ccc(Cl)cc1F 491229436 GYPFOVUZRAZRTQ-HSMVNMDESA-N 295.785 3.558 30 20 CHED CC(C)(CCc1ccccc1)NC(=O)CCCCCC#N 588911947 GTGDVEXPTYYZMO-UHFFFAOYSA-N 286.419 3.988 30 20 CHED Cn1ccc2cccc(N=Cc3ccccc3O)c21 588564471 WIYKFIMKTGWMGB-UHFFFAOYSA-N 250.301 3.635 30 20 CHED C=CCC1(CN[C@@H]2CC[C@H](C(=O)O)[C@H](C)C2)CCCC1 902271020 YMMODOJRZFWEHN-KFWWJZLASA-N 279.424 3.602 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H](C)c2ccccc2)c1 582029460 WNRLDYBGVZOPRX-CYBMUJFWSA-N 278.355 3.976 30 20 CHED C=CCCN1CCC[C@H]1COc1ccc(Cl)cc1 739905348 WOYSKXVVYHLMQS-AWEZNQCLSA-N 265.784 3.759 30 20 CHED COc1ccccc1/C(C)=C\C(=O)O[C@H](C#N)C(C)(C)C 588470706 PEUYJFCSVFONCX-KUGGDMIFSA-N 287.359 3.580 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(N(C)C(=O)CC)cc1 829340279 ANTHEGJGYNZMBB-ZDUSSCGKSA-N 288.391 3.600 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNc1ccnc(N(C)C)n1 739418277 MCJIOPLFDRKRMZ-CQSZACIVSA-N 289.427 3.713 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(F)c1 491354262 AUXXFKRARINRKQ-UHFFFAOYSA-N 259.324 3.649 30 20 CHED C=CCCOCC(=O)OCc1cc(Cl)sc1Cl 835980223 UVHCJGRXQZWKDP-UHFFFAOYSA-N 295.187 3.691 30 20 CHED C=CCN(C)CC/C=C\c1ccc(Br)cc1 494637121 KFOOXIVLGBPISM-XQRVVYSFSA-N 280.209 3.970 30 20 CHED CC(C)(C)NC(=S)NN=C1CCC[C@@H]1c1ccccc1 732527855 LURPBFKBHFEQJT-CYBMUJFWSA-N 289.448 3.573 30 20 CHED CC#CCCN1CCC(c2cccc(F)c2F)CC1 583727598 XVFGKGFZTMHEDS-UHFFFAOYSA-N 263.331 3.558 30 20 CHED C#Cc1cccc(CNC(=O)N(C)CCCCCC=C)c1 836655768 MMRHSJSPUFHUMX-UHFFFAOYSA-N 284.403 3.556 30 20 CHED Cn1ncc2c1CC/C(=C\c1ccc(C3CCC3)cc1)C2=O 834417405 NPXAFGLDIBUPMG-LFIBNONCSA-N 292.382 3.900 30 20 CHED CCCc1cccc(/C=C2/CCc3c(cnn3C)C2=O)c1 588509371 REWKUYQOBCXILX-PTNGSMBKSA-N 280.371 3.585 30 20 CHED C=C(Cl)CNC(=O)C1c2ccccc2Oc2ccccc21 736689072 RGQPMBNWMQGHDS-UHFFFAOYSA-N 299.757 3.793 30 20 CHED C=CC(C)(C)COC(=O)c1c(F)ccc(C)c1F 835722545 FVPTYVUCUXQCLM-UHFFFAOYSA-N 254.276 3.642 30 20 CHED COc1ccc(NC(=O)c2ccoc2C(C)C)cc1C#N 830413088 FSPKXWDCJBZZCI-UHFFFAOYSA-N 284.315 3.536 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2cncn2C(C)C)cc1 901479978 BHIONAXPFVSIFU-ZHACJKMWSA-N 297.402 3.816 30 20 CHED C=CCCCc1nc(C2(c3ccccc3)CCOCC2)no1 582571809 AEBMMPVEGLCWAT-UHFFFAOYSA-N 298.386 3.675 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1ccc(F)c(F)c1F)OC 834983039 PNNHBWGZFUWEEW-LDYMZIIASA-N 274.286 3.563 30 20 CHED CC(=NNc1cc(C)ncn1)c1cc(Cl)ccc1Cl 731935164 PKYWZMRDEYBAAB-UHFFFAOYSA-N 295.173 3.928 30 20 CHED Cc1cc(/C=C2\COc3ccc(F)cc3C2=O)ccc1F 731565538 SNHZJVZFSVVLDA-KPKJPENVSA-N 286.277 3.932 30 20 CHED C=CCNC(=S)N1CCCC[C@H]1c1cc2ccccc2[nH]1 730951998 ZXIUISHMPDNDMX-INIZCTEOSA-N 299.443 3.755 30 20 CHED C[C@@H]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@H](C)C1 733114728 QGLMNYZMVADTIY-JRQYMDJUSA-N 282.387 3.512 30 20 CHED CCC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 594006399 YTPNVQJMHWSSDY-YJBOKZPZSA-N 298.430 3.918 30 20 CHED Cc1cc(SCC(=O)N(C(C)C)C(C)C)ccc1C#N 592356016 IAYFRBJPLBFVMJ-UHFFFAOYSA-N 290.432 3.604 30 20 CHED C=CCN(C/C(Cl)=C/Cl)Cc1ccccc1 746500213 USERQHBGHKOGRH-LCYFTJDESA-N 256.176 3.994 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](CC#N)C2)CCCCC1 597897136 KBLCWLFQVABPJV-HNNXBMFYSA-N 274.408 3.665 30 20 CHED CC[C@H](C)CN(CC)C(=O)c1ccccc1SCC#N 748566755 MARABRQMHJBULO-ZDUSSCGKSA-N 290.432 3.810 30 20 CHED CC[C@H](CNc1nc(C#N)ccc1C)CC(F)(F)F 596270019 AYFJMMHWPBTKMR-JTQLQIEISA-N 271.286 3.652 30 20 CHED C[C@H]1N(C(=O)NCC2(C#N)CCC2)c2ccccc2C1(C)C 596632763 NFEGKMMWQSEHPN-CYBMUJFWSA-N 297.402 3.576 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCOCC(F)(F)F 912782203 BDCHHRHZQRTKDR-DJKKODMXSA-N 297.276 3.543 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](C)C1 670209053 MVFNXPYWRWMISQ-KGLIPLIRSA-N 276.428 3.604 30 20 CHED C=C(Br)CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 919647823 TWQTXMNVVKCUOM-DRZSPHRISA-N 272.230 3.796 30 20 CHED N#CCC1(COC(=O)C(F)(F)c2cccc(Cl)c2)CC1 744277158 WJMGZRGZFXSUEP-UHFFFAOYSA-N 299.704 3.669 30 20 CHED CCOc1ccc(O)c(/C=N/CCc2cccc(C)c2)c1 749103853 DJTAJGCEQYCERE-CPNJWEJPSA-N 283.371 3.761 30 20 CHED COc1cccc(/C=N/C2CCC(CSC)CC2)c1O 840707937 SYEXGOBOXVXVJJ-LICLKQGHSA-N 293.432 3.742 30 20 CHED N#Cc1cc(COC(=O)[C@H]2CC[C@H](C3CCC3)CC2)ccn1 849899366 VDBVBTOSILJPIC-WKILWMFISA-N 298.386 3.603 30 20 CHED Cc1nc(C#N)c(NN=C2CC(c3ccccc3C)C2)o1 743438260 LUPREFLZMREMTG-UHFFFAOYSA-N 280.331 3.509 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)CCC2CCCCC2)n1 598857104 SIECNGJFJPZEHN-UHFFFAOYSA-N 285.391 3.869 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F 593537416 COZRJEWGDKNZIJ-NHYWBVRUSA-N 292.329 3.568 30 20 CHED Cc1ccc([S@](=O)CCCCC(C)(C)C#N)s1 840876311 VQKIDLYISLWUHK-QGZVFWFLSA-N 269.435 3.884 30 20 CHED CCC[C@@H](NC(=O)N1CCC(CCC#N)CC1)C(C)(C)C 592010446 RCAIJDIEQNROMK-OAHLLOKOSA-N 293.455 3.927 30 20 CHED C[C@H](CC#N)C(=O)NC1(Cc2ccccc2)CCCCC1 597516033 BXWUHJNYKQSURS-OAHLLOKOSA-N 284.403 3.598 30 20 CHED C#C[C@H](OC(=O)CC1(CSC)CC1)c1ccc(F)cc1 845601927 SYCMYMPMKKTURX-AWEZNQCLSA-N 292.375 3.577 30 20 CHED C=CCN(C(=O)[C@H]1C[C@]12CCCc1ccccc12)C(C)C 743755377 XGSAJOJJAGNELU-MJGOQNOKSA-N 283.415 3.704 30 20 CHED CCO[C@@H](CC)c1noc(/C=C/c2ccc(C#N)cc2)n1 596616127 UUNIRPUNCHZHAI-HBWSCVEGSA-N 283.331 3.599 30 20 CHED CC[C@H](C)N(CC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 596632894 QQTAUNNJERUQMF-GUYCJALGSA-N 299.418 3.766 30 20 CHED CCCc1ccc(CN2CCC(C)(C#N)CC2)s1 598673245 FADHBWMADXMBBE-UHFFFAOYSA-N 262.422 3.826 30 20 CHED C=C(C)CNc1ccc(Oc2ccc(C)nn2)cc1 742262143 MIGJSVPJLRROCN-UHFFFAOYSA-N 255.321 3.565 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2ccccc2CC)no1 683597122 IBFJHGZGFAIPGW-ZDUSSCGKSA-N 286.375 3.877 30 20 CHED CC(=O)CC(C)(C)CC(=O)OCCC1(C#N)CCCCC1 840485966 RWYVGWLNRHVVJV-UHFFFAOYSA-N 293.407 3.789 30 20 CHED C=C[C@@H]1CCCCN1C(=O)COc1cc(C)ccc1Cl 683788478 OYZSDJRFDQKCGE-CYBMUJFWSA-N 293.794 3.594 30 20 CHED Cc1cc(F)cc(C(=O)O[C@H](C)CC(C)(C)C#N)c1 851209305 KJARVNREUSGLFU-LLVKDONJSA-N 263.312 3.619 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccc([C@@H](C)O)cc1 850426215 BIUDNKKOICJWIC-OLMNPRSZSA-N 273.420 3.964 30 20 CHED C#CCN(CC)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 920027755 SNFROFSUXGGFKU-GFCCVEGCSA-N 297.320 3.681 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1SC(F)F 757191988 YDQOKUXNIYCXJK-QMMMGPOBSA-N 272.320 3.697 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(Cl)cs2)C1 758887697 UDQHINZECIAYQW-TVQRCGJNSA-N 282.796 3.604 30 20 CHED Cn1nc(/C=C2/CCCC(C)(C)C2=O)c2ccccc21 853007249 RYIATXIFSQXMEX-QXMHVHEDSA-N 268.360 3.736 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)OCc1ccccc1C#N 920729528 QMMNQVPEHXQIGO-KGLIPLIRSA-N 271.360 3.818 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2F)c(OC)c1 759666097 LRKZQQXAXGFBLA-UHFFFAOYSA-N 288.322 3.597 30 20 CHED C#CC1CCC(=NNc2ccc(OCC)cc2)CC1 853352194 LDNGCLFVHLZAAL-UHFFFAOYSA-N 256.349 3.677 30 20 CHED CC(C)c1ccccc1NC(=O)c1ccc(C#N)c(Cl)n1 752980914 XAAWQJJUNQSQMB-UHFFFAOYSA-N 299.761 3.982 30 20 CHED C=CCc1cc(CN2C[C@H](C)C[C@@H]2CC)c(O)c(OC)c1 754736719 KMLJRGBKCFCGJO-CJNGLKHVSA-N 289.419 3.750 30 20 CHED Clc1ccccc1[C@H]1CCCC1=NNc1cccnn1 758125154 QVEJAUGANZXUOX-GFCCVEGCSA-N 286.766 3.866 30 20 CHED Cc1ccc(CCC(=O)O[C@@H](C)CC(C)(C)C#N)s1 851204404 QMMHACPNEFLWPU-NSHDSACASA-N 279.405 3.861 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1C[C@H]1c1ccccc1F 926567558 IPWATTQKSYZGHX-CORIIIEPSA-N 260.356 3.600 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1cccc([N+](=O)[O-])c1 924798382 NKJIWRKNYKLNJJ-VXGBXAGGSA-N 275.352 3.574 30 20 CHED C#CCCCOc1cccnc1N[C@@H]1CC[C@H](SC)C1 853386222 YLTWDPPNBYCUSA-KGLIPLIRSA-N 290.432 3.570 30 20 CHED CO[C@H](C=NNc1ccc(OC(F)F)cc1)C1CCCC1 853298673 ADXLJHXJYBQZKA-CQSZACIVSA-N 298.333 3.891 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1ccc(C(F)F)nc1 853340535 ARZRHFYYTGZPOW-ZDUSSCGKSA-N 281.350 3.912 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCc3ccc(F)cc32)s1 750741491 HUTMOFVJMYOPQZ-CYBMUJFWSA-N 287.315 3.603 30 20 CHED CC[C@H]1CCCC1=NNc1oc(C(C)(C)C)nc1C#N 758375653 XCLJDYSEHMXLBK-JTQLQIEISA-N 274.368 3.822 30 20 CHED C[C@H](C=NNc1ncc(Cl)cn1)C1CCCCC1 857221371 XOVBURWCKYAMCT-SNVBAGLBSA-N 266.776 3.744 30 20 CHED COc1ccsc1C=NNc1ccc(F)cc1C 750938199 DJVKFDWTRBXHBW-UHFFFAOYSA-N 264.325 3.650 30 20 CHED Cc1cc(C)cc(CNc2ccc(F)c(C#N)c2)c1 51636250 XGHQNWCMGMLTDQ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED N#Cc1ccccc1Cn1cccc1C=NOCC1CCC1 853441617 ZCUGWWQRFSZQKD-UHFFFAOYSA-N 293.370 3.559 30 20 CHED Clc1ccc(C=NOCCC2SCCS2)cc1 853642281 JCLJRPUFBICQSW-UHFFFAOYSA-N 287.837 3.887 30 20 CHED C=C[C@@H](OC(=O)c1noc2c1CCCC2)c1ccccc1 851453269 PPLVMAXTNPQYHN-CQSZACIVSA-N 283.327 3.638 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCc2ccccc2C1 851204664 BYOSEWBMSKTSFC-CZUORRHYSA-N 285.387 3.663 30 20 CHED C=C(Cl)CN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 852127880 XMIFRMXZTCMZHX-VIFPVBQESA-N 284.190 3.962 30 20 CHED N#C[C@H](C(=O)/C=C\c1cccnc1)c1ccc2ccccc2n1 759188149 RTFBCHKTSJWGKZ-BJIFSAINSA-N 299.333 3.519 30 20 CHED C=CCCC(C)(C)NCc1ccc(N(C)CCC#N)cc1 850417440 XQJYKTSIXJPCJA-UHFFFAOYSA-N 285.435 3.871 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)c(Cl)n1)c1ccccc1 753007061 XNKPPWPORGEPHD-UHFFFAOYSA-N 299.761 3.662 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 753263813 JSLGHBMSZNGMNC-KZNAEPCWSA-N 298.430 3.766 30 20 CHED C#CC[C@@H](NC(=O)CCSCCCC)c1ccccc1 757578886 MIUAPHMCVVZRAQ-MRXNPFEDSA-N 289.444 3.791 30 20 CHED FC(F)(F)c1ccccc1ON=Cc1ccncc1 754712291 JWHFSUFOURDEGD-UHFFFAOYSA-N 266.222 3.513 30 20 CHED C[C@H](O)c1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1F 864012702 YEJDYYYUJQVZHS-RYUDHWBXSA-N 284.334 3.924 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 932179803 JHLXHJOVQOAKGX-BXUZGUMPSA-N 276.767 3.623 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](CC(F)(F)F)C(C)C 935557080 QFYHEEONGWTOJP-WDEREUQCSA-N 265.319 3.682 30 20 CHED Cn1cc(/C=C2\CCc3c(sc4ccccc34)C2=O)cn1 763100956 KHWBCDJDEKSRDA-XYOKQWHBSA-N 294.379 3.847 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2cccc(Cl)c2o1 762721615 AUVXRGMEJFUFJD-JTQLQIEISA-N 276.723 3.508 30 20 CHED CC(=NNc1c(C)cccc1F)c1csc(C)n1 769827834 NFWNVFITSZXTCE-UHFFFAOYSA-N 263.341 3.735 30 20 CHED Cc1cc(OC(=O)c2ccc(C#N)c(Cl)c2)ccc1C#N 765093962 IOYKDNXEMRAELZ-UHFFFAOYSA-N 296.713 3.611 30 20 CHED N#C[C@H](Sc1nccn1C1CC1)c1ccccc1 1118474181 ZDFUZZQGENICRV-ZDUSSCGKSA-N 255.346 3.575 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 763390128 SSXVSRDYWYBUCQ-KRWDZBQOSA-N 282.774 3.989 30 20 CHED C=CCC[C@H](NC[C@@](C)(O)c1ccccc1Cl)C1CC1 765808875 LAWHOKAGDKGWGD-DLBZAZTESA-N 293.838 3.882 30 20 CHED C=C(Br)CN1CCc2ccc(Cl)cc2C1 761741887 BXOUJDPUTSOPKG-UHFFFAOYSA-N 286.600 3.607 30 20 CHED C[C@H]1CC(C)(C)C[C@H]1NCc1cccc(OCC#N)c1 1116781069 QGCWBXQLRGBMPW-XJKSGUPXSA-N 272.392 3.503 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)[C@H]1CCCOC1 779771052 FGICHMCOEAEPNX-HNNXBMFYSA-N 260.381 3.826 30 20 CHED C=CC[C@H](NCCC(C)(C)SC)c1ccncc1 877045884 FTKHLISJNTYCLV-AWEZNQCLSA-N 264.438 3.820 30 20 CHED COc1cc(/C=C\C(=O)c2ccsc2)ccc1F 1116374392 ZDRCDYFEORSASB-HYXAFXHYSA-N 262.305 3.792 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(Cl)cn1 774309208 DJUJNUZLZPGUGM-UHFFFAOYSA-N 259.740 3.880 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 878626172 OEWCJUOBZGRDTL-NVXWUHKLSA-N 287.403 3.625 30 20 CHED CN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1ccc(C#N)c(Cl)c1 876168181 KQWCRFOLHLOVRY-UHIISALHSA-N 288.778 3.611 30 20 CHED CCC(=NOCC(F)(F)F)c1cc(C)ccc1OC 771558293 ZLINYKUAMOCZLA-UHFFFAOYSA-N 275.270 3.697 30 20 CHED CCCCCCCOC(=O)c1nc(C)c(C)s1 773510100 DNWZLMUNNFCHCV-UHFFFAOYSA-N 255.383 3.887 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1ccc(F)cc1F 1116488183 NTPRGCQHYFKTGL-VXGBXAGGSA-N 281.346 3.929 30 20 CHED CC(=NNc1nc2c(C)cccc2s1)[C@H]1CCCOC1 872419626 PFPBPXLPRVEWOK-LBPRGKRZSA-N 289.404 3.819 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 779929694 HRRKAHDBMGFEBQ-FUHWJXTLSA-N 283.415 3.975 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@@](C)(C#N)C1CCCCC1 779993605 PKWBXQDBGGRECU-DBTPVHCXSA-N 262.397 3.712 30 20 CHED C=CCN(C(=O)[C@@H](C)c1cn(C)c2ccccc12)C(C)C 771934948 XVHMUWLDFYZITH-AWEZNQCLSA-N 284.403 3.705 30 20 CHED Cc1ncsc1/C=C/C(=O)c1cccc(F)c1F 776267510 CFQJDEZYNHYIEQ-AATRIKPKSA-N 265.284 3.626 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H]1Cc1ccccc1 776802822 QJPNSKPFEKLTJM-LJQANCHMSA-N 276.383 3.684 30 20 CHED C=CCN(C(=O)Cc1nc(C(C)C)c(C)s1)C(C)C 789931951 MBKPTXMWVUZOLB-UHFFFAOYSA-N 280.437 3.540 30 20 CHED C=C[C@H](C)ONC(=O)Nc1nc(C2CCCCC2)cs1 880244219 AEJDZSUGRPALBT-JTQLQIEISA-N 295.408 3.818 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCC(C)(C)C3)[nH]c12 781808510 SPLTYRBEPDWEOO-CHWSQXEVSA-N 295.386 3.874 30 20 CHED Cc1cc(CNc2ccc(C#N)cc2)cnc1Cl 783964647 NPQJMCKOTCXUQP-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CCc1cc(Br)ccc1NN=C(C)[C@@H](C)OC 783871734 MCEYWJXAKNQSRJ-SNVBAGLBSA-N 299.212 3.834 30 20 CHED CCCCC[S@](=O)CCCCC1(C#N)CCC1 899286813 QWDBGEPSDCJTPM-KRWDZBQOSA-N 255.427 3.789 30 20 CHED N#CCCN(Cc1ccco1)Cc1ccc(Cl)s1 78666865 PJISHSGQVWJQNC-UHFFFAOYSA-N 280.780 3.910 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)CC1 896741570 KEXBIRFNXXHUNX-YOEHRIQHSA-N 269.388 3.952 30 20 CHED Cc1cc(COC(=O)C=C(C2CC2)C2CC2)ccc1C#N 783079708 KZLVJEBABOZOGJ-UHFFFAOYSA-N 281.355 3.656 30 20 CHED C=CCCC(=NNc1ccc2c(=O)[nH]ccc2c1)C1CC1 789085189 ISNAEAKHUKOUFO-UHFFFAOYSA-N 281.359 3.672 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NNc2ccc(Cl)nn2)C1 783507243 FFSCFLISLIJOQA-SSDOTTSWSA-N 292.692 3.650 30 20 CHED C/C=C(\CC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 789653970 MIQSDNAURBUJTH-YCRREMRBSA-N 282.265 3.872 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1 83192641 LASJQORRWMTBCQ-JXMROGBWSA-N 291.306 3.762 30 20 CHED C=C(CC)CN[C@@H]1CCN(Cc2ccccc2)CC1(C)C 390909139 UZPAYBCAYRTTQR-GOSISDBHSA-N 286.463 3.843 30 20 CHED CC(C)n1cc2c(n1)[C@@H](Nc1cccc(F)c1C#N)CCC2 780396982 HEHQARNDTXNCML-INIZCTEOSA-N 298.365 3.964 30 20 CHED C=CC[C@H](N[C@@H](C)CSCCC)c1ccncc1 892973650 UFSBDQBBKACNNI-ZFWWWQNUSA-N 264.438 3.820 30 20 CHED C=CC[C@@H](CC)NS(=O)(=O)/C=C\c1ccccc1Cl 798467106 LDCHARBLZPXHIA-BSYHEUMXSA-N 299.823 3.585 30 20 CHED CCN(Cc1c(F)cccc1Br)C[C@@H](C)C#N 93169389 SDJAEDNZEUNSRZ-JTQLQIEISA-N 299.187 3.570 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC[C@H](C)CC)c1 796128309 WACDTENIGSZMLO-CQSZACIVSA-N 257.377 3.847 30 20 CHED C=C1CC(c2noc(-c3cnc(OCC)c(Cl)c3)n2)C1 896883879 HJKFDALUWVCGSM-UHFFFAOYSA-N 291.738 3.617 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C(C)C 798556345 IHEZMNWBGKBXGY-HIFRSBDPSA-N 298.386 3.793 30 20 CHED CCCCCCCCNC(=O)N1CC[C@H](OC)C[C@@H]1C 799381387 DGHAOUOBZGNXQC-GJZGRUSLSA-N 284.444 3.556 30 20 CHED C=C(Br)CN1[C@H]2CCCC[C@H]2C[C@H]1C 743854334 UHFDEICOENITMP-WOPDTQHZSA-N 258.203 3.548 30 20 CHED C#C[C@@H](NC(=O)c1sc2ccc(F)cc2c1C)C(C)C 799045197 WIYADDNGCSZZMR-CYBMUJFWSA-N 289.375 3.736 30 20 CHED CC(C)n1cc(N[C@H](C)c2ccc(C#N)cc2)cn1 61682592 PUGMCPFWZDPQGW-GFCCVEGCSA-N 254.337 3.509 30 20 CHED COc1cccc(NN=C2CCC[C@@H]2c2ccccn2)c1 794888292 HWEVRTKPPOKRDY-OAHLLOKOSA-N 281.359 3.826 30 20 CHED CCSc1cccc(C=NNCCC(F)(F)F)c1 794548161 PUZKGLRILILRQC-UHFFFAOYSA-N 276.327 3.675 30 20 CHED CC#CCNc1ccc(OCC(F)(F)F)c(Cl)c1 799969199 CRBHRODLDPZUFS-UHFFFAOYSA-N 277.673 3.716 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc3c(C)cccn23)oc1C 799895795 DQHKCXGNTSZZDJ-VOTSOKGWSA-N 280.327 3.749 30 20 CHED Cc1oc(C#N)cc1C(=O)OCC1CCCCCC1 797886238 JQCNJLYBCPWLOK-UHFFFAOYSA-N 261.321 3.587 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2CC2(C)C)s1 797568412 RIQJQFXEXUULAL-VHSXEESVSA-N 276.405 3.663 30 20 CHED C#Cc1cncc(C(=O)Nc2ccc(CCCC)cc2)c1 798152069 SKQLKZMAMHSEFK-UHFFFAOYSA-N 278.355 3.658 30 20 CHED C#CCOc1ccccc1CNc1cnn([C@@H](C)CC)c1C 791004548 MKZYDKXAZLNHJX-AWEZNQCLSA-N 297.402 3.787 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc([S@](C)=O)cc1 1319077840 LLLVXDSSBPKRSK-VLIAUNLRSA-N 294.464 3.706 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1ccc2[nH]ncc2c1 1166339453 UQBYMXWLTUTJKP-OAHLLOKOSA-N 279.368 3.790 30 20 CHED CC#CCOC(=O)c1csc(-c2ccc(CC)cc2)n1 1318938330 JASIKRHMEVYDSG-UHFFFAOYSA-N 285.368 3.553 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(C(=O)O)o1 1609248316 MRHWGAJFFDICCN-UHFFFAOYSA-N 285.343 3.556 30 20 CHED C=C[C@H]1CCCCN1C(=O)CSCc1cccs1 1321063322 ZOOJZEMNHJVONW-LBPRGKRZSA-N 281.446 3.548 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](N=c2cc[nH]cc2C#N)CC1 1612261000 BYGHSRDAARAJBY-CABCVRRESA-N 271.408 3.782 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCOc1ccccc1C 1320637153 KUPSKSMPUKTGNH-OAHLLOKOSA-N 275.392 3.625 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)c2csc(C#N)c2)cc1 1324370557 RZNYSVOCSYWAEJ-MRXNPFEDSA-N 296.395 3.906 30 20 CHED C=C(C)COc1cccc(NC(=S)NCC2CCC2)c1 1338378393 LZLXPASMRBCABM-UHFFFAOYSA-N 290.432 3.728 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)C[C@@H](C)c1ccccc1C 1337716285 PCVSWWAODKQKHZ-CABCVRRESA-N 272.392 3.639 30 20 CHED CC(=NNc1cccc(F)c1)c1c(C)nc2sccn12 1251257718 XQBLUWWMXRRWKL-UHFFFAOYSA-N 288.351 3.679 30 20 CHED C=C(C)CCC(=O)N(CC(C)(C)C)c1ccccn1 1338947297 GWHINMNQZXEHGU-UHFFFAOYSA-N 260.381 3.817 30 20 CHED N#Cc1ccc(OCC(=O)CCc2ccccc2)cc1Cl 1189165662 AQLNAXMHTPKANP-UHFFFAOYSA-N 299.757 3.792 30 20 CHED Cc1cc(C(=O)N(c2ccccc2C#N)C2CCC2)ns1 1338042859 PDAGBIXKANPKRR-UHFFFAOYSA-N 297.383 3.523 30 20 CHED C#CC[C@H](NC(=O)N1CCC(C2CC2)CC1)c1ccccc1 1262366291 ZXFDDQQEPSICTM-SFHVURJKSA-N 296.414 3.583 30 20 CHED C=C(C)CCC(=O)N1CCC(c2ccsc2)CC1 1262619674 GHBWWERIESPEKJ-UHFFFAOYSA-N 263.406 3.810 30 20 CHED C=C(CC)C(=O)NCc1ccc(-c2csc(C)n2)cc1 1347282434 FUYPQNLGXUFLTR-UHFFFAOYSA-N 286.400 3.701 30 20 CHED C=CCC(F)(F)C(=O)O[C@H]1c2ccccc2OC[C@H]1C 1348274307 APGRVDPXBJQEJQ-ZWNOBZJWSA-N 282.286 3.511 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC=CC12CCCC2 1263640792 WJFJBKBQXZAAEH-UHFFFAOYSA-N 281.359 3.583 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(SC(F)F)cc1 1262813225 SDUPJMURNNTNKJ-NSHDSACASA-N 298.358 3.766 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 1346502288 VINXNZWROAIWNK-ZDUSSCGKSA-N 261.365 3.571 30 20 CHED Cc1c(F)ccc(Cl)c1NC(=O)c1ccc(C#N)o1 1436068077 MDKAYAJQNYLBLH-UHFFFAOYSA-N 278.670 3.505 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccccc2-n2cccc2)C1 1436649689 QXKUTAJERSBWDB-CABCVRRESA-N 294.354 3.716 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccccc1C 1515551405 MPSYKUJGEVNLAX-AWEZNQCLSA-N 278.355 3.917 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1517045587 FGLPGYRHNKLSGF-QKPAOTATSA-N 299.418 3.686 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2cccnc2c1 1514859608 SZMJQPBJBBOUHQ-MRXNPFEDSA-N 280.371 3.806 30 20 CHED CCN(Cc1cccc(C#N)c1F)c1ccccc1F 223561772 CFRBAZJRYRUIIO-UHFFFAOYSA-N 272.298 3.863 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 1518199250 NIOLDAXKQSNPRF-AGIUHOORSA-N 259.349 3.845 30 20 CHED CSc1ccc(N(C)C(=O)c2csc(C#N)c2)cc1 1456249492 IWOOCAVTHVDNJO-UHFFFAOYSA-N 288.397 3.618 30 20 CHED CC1(C)CCC(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CC1 1535479009 KAZIDNVOFBLSFB-GXTWGEPZSA-N 263.381 3.828 30 20 CHED C=C(CNc1ncnc2[nH]c(Cl)cc12)c1ccccc1 1612453603 DSKDDGUSDNABEK-UHFFFAOYSA-N 284.750 3.737 30 20 CHED C=CCCOCCNc1ccc(C#N)c(C(F)(F)F)c1 229870180 XUXQRBPUFPXEDW-UHFFFAOYSA-N 284.281 3.582 30 20 CHED Cc1ccc(Nc2cccc(C#N)n2)cc1N1CCCC1 1643149037 HVVMEEJCTSVGSR-UHFFFAOYSA-N 278.359 3.606 30 20 CHED N#Cc1ccnc(CSc2cccc3cccnc23)c1 1652569268 CDTCPCJFGUSTNO-UHFFFAOYSA-N 277.352 3.794 30 20 CHED N#Cc1ccc(CN2CCc3ccc(Cl)cc32)cc1F 1659396847 RYVNMLMETKBMRK-UHFFFAOYSA-N 286.737 3.913 30 20 CHED Cc1cc(C)n(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 1651147221 NMEUKQHAZMWCRT-UHFFFAOYSA-N 290.326 3.548 30 20 CHED Cc1cc(SCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1C#N 1656667088 OUKDJNAITYRRQZ-HEHGZKQESA-N 285.412 3.964 30 20 CHED C[C@@H]1Cc2cc(CN(C)Cc3cccc(C#N)c3)ccc2O1 1658654421 XPGHEDHTTJRRMA-CQSZACIVSA-N 292.382 3.514 30 20 CHED Cc1cc(C)c(CC(=O)Nc2cc(C#N)ccc2F)c(C)c1 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C=CCN(C(=O)c1ccccc1Br)C(C)(C)C 165370507 DRYYMGRZGFJHPZ-UHFFFAOYSA-N 296.208 3.876 30 20 CHED C=CCCS[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 151987026 AUDWBMRDUMJZQB-OLZOCXBDSA-N 275.417 3.662 30 20 CHED CCC(CC)c1cc(C(=O)N(C)c2cccc(C#N)c2)on1 152387378 ZQQKNBOVSIUBQK-UHFFFAOYSA-N 297.358 3.726 30 20 CHED Cc1cccc([C@H](C)NCc2cccc(OCC#N)c2)c1 157230471 JLPFCSGYZAJIHV-HNNXBMFYSA-N 280.371 3.748 30 20 CHED N/C(CCc1ccccc1)=N/OCCCCC(F)(F)F 154279186 USSKLSOSUGGKKL-UHFFFAOYSA-N 288.313 3.641 30 20 CHED O=C(/C=C/c1c(Cl)nc2ccccn12)c1ccccc1O 156601690 OTJXYFFFWLDXIS-CMDGGOBGSA-N 298.729 3.589 30 20 CHED C=CCCCCCCNC(=O)CCc1ccc(O)cc1 805218642 IMRDBVZTBONQPQ-UHFFFAOYSA-N 275.392 3.578 30 20 CHED COc1ccc(NCc2cccc(C#N)c2)cc1Cl 19903517 HVLRQAMHAIMGBA-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCc2cccc(C#N)c2)o1 37748567 NVUXSFKBAFYIMN-WBMJQRKESA-N 266.344 3.564 30 20 CHED N#Cc1cccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1 281210823 BBKYXVQTOUBOCX-LLVKDONJSA-N 275.258 3.511 30 20 CHED Cc1ccc(F)c(C(=O)Nc2cc(C#N)ccc2C)c1 52983089 LWJALLRLRZVYRJ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CCC[C@@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 182820188 DYYJCJLIZVWPHQ-OAHLLOKOSA-N 271.364 3.745 30 20 CHED Cn1cc(CNc2ccc(C(C)(C)C)cc2)cc1C#N 189574110 CUWMBKWHUVZMCK-UHFFFAOYSA-N 267.376 3.806 30 20 CHED C=CCCNC1(c2ccc(Br)cc2)CCC1 309582290 SYMYLHSLMHCRAV-UHFFFAOYSA-N 280.209 3.994 30 20 CHED CCc1cccc(Nc2ncc(C#N)cc2Cl)c1 513650158 JXZIAEPSMQUKCQ-UHFFFAOYSA-N 257.724 3.913 30 20 CHED N#Cc1cccc(NCc2cnc3ccccc3c2)c1 312157761 JSFBSMFECBVDSA-UHFFFAOYSA-N 259.312 3.719 30 20 CHED COc1cccc(CNc2nc(C)c(C#N)cc2Cl)c1 313182520 VRZVLZLKXUJFDN-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc(CC)c(CCC)s1 700580173 QVELTDAYWGRPBH-UHFFFAOYSA-N 289.444 3.748 30 20 CHED COc1cc(C#N)ccc1NCc1csc(C2CC2)n1 545293937 MZBFDXUBMWDQRR-UHFFFAOYSA-N 285.372 3.513 30 20 CHED COc1cccc(/C=C/C(=O)c2cccnc2)c1OC(C)C 7739784 NYDHWZZSFQOBEP-MDZDMXLPSA-N 297.354 3.774 30 20 CHED CC(C)Cc1ncc(CNCc2ccc(C#N)s2)s1 119747729 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293.794 3.532 30 20 CHED N#CCCN(CC#Cc1ccc(Cl)cc1)Cc1ccco1 177366456 ZDMGZTHNEYBRBO-UHFFFAOYSA-N 298.773 3.700 30 20 CHED CN(CCc1ccccc1)c1ccc2cc(C#N)ccc2n1 301957554 AOSBMJZELMHPHT-UHFFFAOYSA-N 287.366 3.785 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 171429288 ITGFRJXHHVYKKC-AWEZNQCLSA-N 263.768 3.970 30 20 CHED Cc1cscc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 175122025 MPXGXEDRIYSSNX-SNVBAGLBSA-N 282.324 3.688 30 20 CHED CCCc1ccccc1NC(=O)c1csc(C#N)c1 1353019848 BJTUXKQNNUEMCR-UHFFFAOYSA-N 270.357 3.825 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccnc1C 352342175 OVPJZALIQLJZGU-UHFFFAOYSA-N 266.388 3.968 30 20 CHED CCOC1CC(CCNc2ccc(Cl)cc2C#N)C1 302659116 HYJALFQULCBLSU-UHFFFAOYSA-N 278.783 3.829 30 20 CHED Cc1nnc(SCCCC#N)n1[C@@H]1CCC[C@@H](C)C1 127312047 RUVFXXWQOBNPHK-DGCLKSJQSA-N 278.425 3.734 30 20 CHED C=CCN(CC=C)C(=O)CSc1cccc2cccnc12 60656435 JHYRCVGRGSWCFO-UHFFFAOYSA-N 298.411 3.528 30 20 CHED N#Cc1c(F)cccc1N(Cc1cccc(O)c1)CC1CC1 301794473 SIYIFZUAXRYSLL-UHFFFAOYSA-N 296.345 3.820 30 20 CHED C[C@H]1CN(Cc2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1 121587657 FPRBBUZIEHXHLD-UGSOOPFHSA-N 280.346 3.890 30 20 CHED CCc1nnc(Sc2cccs2)c(C#N)c1CC 125824551 SSRHGEIZYUBYBV-UHFFFAOYSA-N 275.402 3.686 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCCc2occc21 180459397 CWBYXPAGYCIYHV-JSGCOSHPSA-N 276.380 3.701 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@H](C)c2cccc(F)c2)n1 76763635 GOHQIOHEMRRFBJ-MFKMUULPSA-N 288.347 3.571 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc3c(c2)OCCO3)n1 508653404 SMQCELDOHSKYJH-YVMONPNESA-N 298.342 3.520 30 20 CHED CN(C(=O)c1ccc(C#N)s1)[C@@H]1CCC[C@@H]1C(C)(C)C 416281865 AYWGSYQYUXWFBB-QWHCGFSZSA-N 290.432 3.907 30 20 CHED C=CC[C@H](C(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1 186484964 GSUNSAJMMQLEKR-INIZCTEOSA-N 291.354 3.861 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Sc1ccc(C)cc1 410119932 FMCDDWQSOVUYPK-KGLIPLIRSA-N 277.433 3.947 30 20 CHED CC[C@](C)(C#N)C(=O)NCCc1ccc(C(C)(C)C)cc1 505341540 BVLRDINCLHFHHG-GOSISDBHSA-N 286.419 3.583 30 20 CHED Cc1cccnc1CNc1ccc(C#N)c(C(F)(F)F)c1 71345050 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C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCC1(C#N)CCOCC1 410384843 WGUNTKLHXZQNMN-IXDOHACOSA-N 290.451 3.740 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)cc1 187746105 COXMKGRHMVAMTC-CQSZACIVSA-N 267.756 3.507 30 20 CHED CCc1ccc([C@H](COC)N[C@@H](C)c2ccc(C#N)cc2)o1 181812368 NTLZHLGXOUMCAR-GUYCJALGSA-N 298.386 3.752 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccnn1C(C)C 410335565 SHTOQZYUYRSEOI-UHFFFAOYSA-N 283.419 3.695 30 20 CHED CCc1cc(C(=O)NCC2CCC(C#N)CC2)sc1C 508361421 NELHFQNYIMGKPR-UHFFFAOYSA-N 290.432 3.679 30 20 CHED Cc1cccc(OCCN[C@H](C)c2ccc(C#N)cc2)c1 42896066 HZYFKHGQDMZBNC-OAHLLOKOSA-N 280.371 3.596 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2cccc(C#N)c2)cc1 47338090 OKBHFAWDIUAVSS-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED C=C(C)COCCNC(=O)C[C@@H](c1ccccc1)C(C)C 136180388 YYMXPCAIOGXRBT-QGZVFWFLSA-N 289.419 3.525 30 20 CHED C#CCCCC(=O)N[C@@H](CCC)CCc1ccccc1 192136655 VFKIGVVRXLCFCS-KRWDZBQOSA-N 271.404 3.708 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccs1 45466778 JJXQQSBUNPKCKD-UHFFFAOYSA-N 298.411 3.601 30 20 CHED C=CCCCC(=O)N1Cc2ccccc2N(C)C[C@H]1CC 88200887 DTILSXUBOHLGBA-MRXNPFEDSA-N 286.419 3.600 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(C#N)cc1Cl 426124506 SLZOFEKKLDNHKK-VHSXEESVSA-N 279.771 3.768 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2cccc(C)c2)C1 424774290 HKMNNSOHCRVREV-INIZCTEOSA-N 271.404 3.913 30 20 CHED N#Cc1ccc(C(=O)/C=C/C2=Cc3ccccc3OC2)s1 134492292 FZCYVZQLKHCYKH-FNORWQNLSA-N 293.347 3.835 30 20 CHED CC(C)(CCC#N)COC(=O)c1cc(-c2ccccc2)[nH]n1 195097723 KAEDWXIQVMAKGT-UHFFFAOYSA-N 297.358 3.563 30 20 CHED Cc1csc(-c2cccc(N=C(O)[C@H]3CCCO3)c2)n1 328787223 OUJHTPDLZMETDL-CYBMUJFWSA-N 288.372 3.886 30 20 CHED C=CCC[C@@H](NC(=O)COCCCC)c1ccccc1 134023897 ISTBOCPGDQNJTH-MRXNPFEDSA-N 275.392 3.627 30 20 CHED C=CCN(C[C@H](OC(C)C)c1ccccc1)C1CC1 428288914 IKKDXGSPBODTCO-KRWDZBQOSA-N 259.393 3.803 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@]12CCC[C@@H]1C2 421544619 ZECMXNROBAHCFU-SJLPKXTDSA-N 269.388 3.782 30 20 CHED C=CCOc1cccc(NC(=O)c2c(C)coc2C)c1 339819641 ZGBMXAWSNUDANQ-UHFFFAOYSA-N 271.316 3.714 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cccc(Cl)c2Cl)C1 424196025 MSRXPWGKJKPDSM-GXSJLCMTSA-N 269.175 3.775 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@@H]1c1ccccn1 531146866 ONIYIPOOGJCKRT-MRXNPFEDSA-N 283.762 3.948 30 20 CHED C=CCCCCCSC[C@@H]1CC2(CCC2)C(=O)O1 192547758 KHPMOLFQNWBFPB-ZDUSSCGKSA-N 268.422 3.952 30 20 CHED CC(C)C(NCc1ccc(C#N)cc1Cl)C(C)C 615230197 KKDZPLXGVZMYGZ-UHFFFAOYSA-N 264.800 3.982 30 20 CHED C=CCOc1ccccc1CNC(=O)CC[C@@H](C)CC 512667787 GGIWKPMLCCJZAP-AWEZNQCLSA-N 275.392 3.694 30 20 CHED N#CC1CCN(Cc2ccccc2Oc2cccnc2)CC1 195411822 MMDMFVMWXZAOBW-UHFFFAOYSA-N 293.370 3.609 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)NC1(C#N)CCCCC1 330799840 YYVNGZBUDAKQBM-HNNXBMFYSA-N 276.424 3.936 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCO3)c1F 195502565 WFIXCWQLQSEFPM-FNORWQNLSA-N 298.313 3.665 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421557738 LUIYMUQXWNQXIR-GXTWGEPZSA-N 281.359 3.503 30 20 CHED N#Cc1ccc(C(=O)N2CC3(CCCCC3)C2)cc1Cl 334468858 GSLZJTDEMARZQE-UHFFFAOYSA-N 288.778 3.618 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cc(F)cc(Cl)c2)n1 336042550 IQWYKWLDCXKDMB-NSHDSACASA-N 294.738 3.734 30 20 CHED N#CC1(COc2ccc(Oc3cccnc3)cc2)CCC1 516027416 QFHSJSSYVPSBAT-UHFFFAOYSA-N 280.327 3.947 30 20 CHED CCC[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 90180586 ZWUSTBQWHYWYSZ-GFCCVEGCSA-N 269.310 3.835 30 20 CHED CC[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 91919321 ULLOKYZVCSAMFR-INIZCTEOSA-N 286.419 3.991 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccncc1 90665163 WJUXFTAAYJVSLA-YOEHRIQHSA-N 265.360 3.777 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccccc1Cl 179641976 MCAQWKDARSREHK-LBPRGKRZSA-N 263.768 3.711 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCc2ccccc21 432349079 UTOLFBVEONIZQN-QGZVFWFLSA-N 290.366 3.925 30 20 CHED N#CCC1CCN(C(=O)c2cccc(C3CCC3)c2)CC1 334307464 DKLYYAZSIGJTHJ-UHFFFAOYSA-N 282.387 3.720 30 20 CHED CCN(C[C@@H](C)C#N)[C@H]1CCc2c(Cl)cccc21 245890769 RQJLSIDHTAYIQQ-NHYWBVRUSA-N 262.784 3.809 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 249069741 QFSWTPWSVDQIFZ-YOEHRIQHSA-N 299.418 3.715 30 20 CHED CC[C@H](C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 248224203 IQLAGVHVRVFZNA-STQMWFEESA-N 258.365 3.514 30 20 CHED C=CCC[C@H](NCC#N)c1ccc(C(F)(F)F)cc1 342211844 VKNCDSOZLZXXEX-ZDUSSCGKSA-N 268.282 3.826 30 20 CHED C=CCOc1ccccc1C(=O)NCC1(CC)CCC1 438462478 TYBVROBKHXYISE-UHFFFAOYSA-N 273.376 3.562 30 20 CHED C=CCC[C@H](NCCc1ccc(-n2cccn2)cc1)C1CC1 439076552 GMNGLAAFAXNQHF-IBGZPJMESA-N 295.430 3.749 30 20 CHED N#Cc1ccnc(N[C@@H]2CCSc3c(F)cccc32)c1 341541879 DUFDWKAPKFKKTI-CYBMUJFWSA-N 285.347 3.741 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cccc(Cl)c1 435671373 JHXUTBHBIJOIMK-NOLJZWGESA-N 279.811 3.972 30 20 CHED CCc1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 433102289 DDRITUSDUPCXAA-QGZVFWFLSA-N 292.382 3.960 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 438066372 KUPHAEUOYFADDC-FHLIZLRMSA-N 293.451 3.642 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccn(C(C)C)c1C 345475753 BTZXOVUMEAOTFD-CYBMUJFWSA-N 262.397 3.852 30 20 CHED Cc1cc(C)c(C(=O)N(CCC#N)CCC(C)C)s1 601036472 DHJSRGHWJVTRDK-UHFFFAOYSA-N 278.421 3.767 30 20 CHED Cc1nsc(N[C@H]2C[C@H]2c2cccc(Cl)c2)c1C#N 343045847 ORBVJHUVVWJDMU-AAEUAGOBSA-N 289.791 3.945 30 20 CHED C=CC[C@@H](C)NC(=O)NCC1(c2cccc(Cl)c2)CC1 523518578 HVEAYQAHQLAVLE-GFCCVEGCSA-N 292.810 3.635 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)o1 255676137 IBFGDEADZFANTQ-UTCJRWHESA-N 268.312 3.673 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1 255172743 ZBNLDQURBNCTSF-VURMDHGXSA-N 253.326 3.824 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)o1 255488128 YCPKOSROAWKCDQ-DAXSKMNVSA-N 260.264 3.583 30 20 CHED CCc1ccc(C=NOCc2cccc(Cl)n2)cc1 255151138 MYLFISFLTPTWGS-UHFFFAOYSA-N 274.751 3.848 30 20 CHED N#Cc1cnccc1/C=C/c1cc(F)c(F)cc1F 349108167 KXHZIBQIKCHVQJ-OWOJBTEDSA-N 260.218 3.541 30 20 CHED CCOc1ccc(CNc2cnccc2C#N)cc1Cl 343157105 CXERLKJZVPCRHQ-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC(C)[C@H](CSc1ccccc1)NCCCC#N 346809602 QMJCUMQCLLKVJW-HNNXBMFYSA-N 262.422 3.697 30 20 CHED Cc1cc(C)c(NC(=O)/C=C\c2ccccc2C#N)c(C)n1 255334753 FTEFEGSYEPCCGT-HJWRWDBZSA-N 291.354 3.530 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(C#N)s2)c1 255405913 SAYHJIUMINZPGM-ALCCZGGFSA-N 253.326 3.824 30 20 CHED CCOc1ccc(CNc2cc(F)cc(C#N)c2)cc1F 600860680 KGIJKGVYDMLRAB-UHFFFAOYSA-N 288.297 3.847 30 20 CHED N#Cc1cccnc1/C=C/c1csc(-c2ccccn2)n1 352021453 PGXLDEWYIUUHTO-VOTSOKGWSA-N 290.351 3.642 30 20 CHED COc1ccc(C#N)cc1NCc1ccc([C@H]2C[C@H]2C)o1 354856735 VBBBLANJBMYCKY-RISCZKNCSA-N 282.343 3.895 30 20 CHED CC(C)N(Cc1cccc(C#N)n1)Cc1ccccc1F 602438026 AGSCVFYUXBFECI-UHFFFAOYSA-N 283.350 3.503 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1ccccc1SC 352872680 WJMQTCBTEKVEGK-UHFFFAOYSA-N 298.367 3.541 30 20 CHED CC[C@@H](CCc1ccccc1)NC[C@@H](C)CCC#N 602719302 AYDJPGFTCUOORI-RDJZCZTQSA-N 258.409 3.927 30 20 CHED N#Cc1cccnc1/C=C/c1cnc(-c2ccco2)s1 352008459 PRQPSQFOKCCESP-AATRIKPKSA-N 279.324 3.840 30 20 CHED CCN(C(=O)CC(C)(C)C#N)C12CC3CC(CC(C3)C1)C2 447204761 VUGKCBKWZFJZSL-UHFFFAOYSA-N 288.435 3.744 30 20 CHED Cc1ccc(CCCNC[C@H](C)CCC#N)c(C)c1 602501248 DLLSSTVUEUDFTD-OAHLLOKOSA-N 258.409 3.766 30 20 CHED C[C@@H](CCC#N)CN1CC=C(c2ccc(C#N)cc2)CC1 602494306 NEDLQGDLPQWPKX-HNNXBMFYSA-N 279.387 3.587 30 20 CHED CC[C@H](CNC[C@@H](C)CCC#N)Oc1ccccc1F 602574399 ZZRZJQWYKXRTGE-UONOGXRCSA-N 278.371 3.513 30 20 CHED COc1cc(CN[C@H]2C[C@H]2C2CCCCC2)ccc1C#N 440822607 PPZGGSLXLCGXTO-IRXDYDNUSA-N 284.403 3.625 30 20 CHED N#CCCCCCc1nc([C@H]2CCOc3ccccc32)no1 350087001 VMUXGKFTBQFTSX-AWEZNQCLSA-N 297.358 3.610 30 20 CHED Cc1nc(C)c(C)c(Sc2ccc(C#N)cc2F)n1 354383093 JTERACUVCCGOJE-UHFFFAOYSA-N 273.336 3.564 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 356441944 CFWKFQLBPGFIME-AWEZNQCLSA-N 287.403 3.576 30 20 CHED Cc1cc(-c2noc(-c3ccc(CC#N)cc3)n2)c(C)o1 351041044 KIKAUDPRDNJVSB-UHFFFAOYSA-N 279.299 3.680 30 20 CHED CC(C)(C#N)CNC(=O)Nc1cccc(Cl)c1Cl 611619640 PSOQXRCYAWIDPZ-UHFFFAOYSA-N 286.162 3.665 30 20 CHED CC1(C)CN(C(=O)C2(C#N)CCCCC2)Cc2ccccc21 534750587 XEKOHKNAAOBCGZ-UHFFFAOYSA-N 296.414 3.780 30 20 CHED CC1CCC(CC(=O)Nc2ccccc2C#N)CC1 359691424 AICGQMYIVQXZTJ-UHFFFAOYSA-N 256.349 3.713 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](C)CC1CCCCC1 359382592 PNEHBBADMKBZIP-CQSZACIVSA-N 262.397 3.521 30 20 CHED CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H](C)C(C)C 538267996 YUIZEZHNMVCRIB-LLVKDONJSA-N 278.783 3.718 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(C)c1ccccc1C#N 532793466 YXNIUUGRARMJOM-KGLIPLIRSA-N 270.376 3.737 30 20 CHED CC(C)(C)OC(=O)CCSCc1ccc(C#N)cc1F 440596674 KLHDONKBAHLXAN-UHFFFAOYSA-N 295.379 3.662 30 20 CHED CC(C)CCc1nc(CON=C2CCC2)cs1 267031812 VMAPHYNPJBCGNG-UHFFFAOYSA-N 252.383 3.788 30 20 CHED C=CC[C@H](C)NCc1cnc(CCc2ccccc2)s1 449150117 QGQZZOTVHFWUPL-AWEZNQCLSA-N 286.444 3.983 30 20 CHED COCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 351568073 KWSRDDOOZZMCPO-INIZCTEOSA-N 294.398 3.768 30 20 CHED CC#CCNC(=O)N1CCC[C@H]1c1cccc2ccccc12 534235261 YSYYZRYODRUIJW-SFHVURJKSA-N 292.382 3.710 30 20 CHED C=CCOCC(=O)Nc1ccccc1Oc1ccccc1 354305048 PYZLZRJZDOXKNL-UHFFFAOYSA-N 283.327 3.620 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](CCC)C(C)C)C1 617781758 UAPJWDQBDRFNEV-LSDHHAIUSA-N 251.414 3.873 30 20 CHED N#Cc1c(F)cccc1N1CCc2c(Cl)cccc2C1 610076581 WBKGPJLWDAUGFG-UHFFFAOYSA-N 286.737 3.913 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2cccc(Cl)c2Cl)C1 442781448 IWEWEACWNWIWHK-ZYHUDNBSSA-N 283.202 3.818 30 20 CHED C[C@@H](NC1CCN(CC#N)CC1)c1ccc(C(C)(C)C)cc1 610341988 SVRCZFNOXIMORR-OAHLLOKOSA-N 299.462 3.623 30 20 CHED CC(C)(C#N)CNC(=O)c1ccccc1NC1CCCCC1 619503233 OHOSEJYKLVMAAF-UHFFFAOYSA-N 299.418 3.711 30 20 CHED CCSc1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 611389643 NQJRJEZIIZEJCE-ZDUSSCGKSA-N 297.427 3.916 30 20 CHED COc1cccc([C@H]2C[C@@H](C)CN2CC2(C#N)CCC2)c1 450708220 CDLLKEANPRIVFW-RHSMWYFYSA-N 284.403 3.772 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CCCC1(F)F)c1ccccc1 452813827 PYEISHQKDZSLMS-HIFRSBDPSA-N 293.357 3.898 30 20 CHED CCC1(CC)[C@H](N[C@@H](C)c2cccc(C#N)c2)C[C@H]1OC 537308338 LMRGDMFEMNITMB-IAOVAPTHSA-N 286.419 3.803 30 20 CHED Cc1cn(Cc2csc(-c3cccs3)n2)cc1C#N 610915587 ZVPJKKBXCJMMFB-UHFFFAOYSA-N 285.397 3.902 30 20 CHED C=CCC1(CNC(=O)N(C)[C@H](C)CC)CCCC1 459045954 FNIBYMLETXELBA-CYBMUJFWSA-N 252.402 3.563 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 454342264 JPOBZCBPUKNCPL-DOTOQJQBSA-N 285.391 3.699 30 20 CHED C#CCC1(C(=O)N2CC(C)(C)[C@@H]2C2CC2)CCCCC1 366531253 NESFBBBEYCPZCP-HNNXBMFYSA-N 273.420 3.607 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(Cl)cc1C 454150513 CMHXHGIZESSIKJ-KGLIPLIRSA-N 294.782 3.504 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 612294257 BQUXVXDTLWFIPZ-AWEZNQCLSA-N 295.745 3.637 30 20 CHED COc1cccc(C[S@@](=O)CCCCC(C)(C)C#N)c1 278182363 FWAOHLOGKZJIGH-FQEVSTJZSA-N 293.432 3.664 30 20 CHED C=C[C@@H](CC(=O)Nc1c(C)cnn1CC)c1ccccc1 618439406 HWWXQUWTNYQZOZ-AWEZNQCLSA-N 283.375 3.510 30 20 CHED Cc1nnc(SCCCC(C)(C)C)c(C#N)c1C 540811966 AYYVXQBIPYIENU-UHFFFAOYSA-N 263.410 3.884 30 20 CHED CC(C)[C@]1(C)C[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 458577573 PPWCVWPURIBSRS-NUJGCVRESA-N 299.418 3.765 30 20 CHED C=CCCCc1nc(Cc2cccc3cccnc23)no1 545010190 ARZUICSFPNTRHI-UHFFFAOYSA-N 279.343 3.717 30 20 CHED C=CCCCNc1ccc2c(c1)CN(CC(F)(F)F)C2 453164053 QMAKRNCNHAFKBI-UHFFFAOYSA-N 284.325 3.943 30 20 CHED C=C(C)CCN[C@@H](Cc1ccncc1)c1ccc(OC)cc1 453320831 PKRUUVNHEPTTDC-IBGZPJMESA-N 296.414 3.930 30 20 CHED N#CCc1ccc(NCCC2CCOCC2)c(Cl)c1 453126772 KWERGTPZLBNPEF-UHFFFAOYSA-N 278.783 3.635 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](OCC)C1CC1)c1ccccc1 626216524 WBQNDWALWPSMJZ-IAGOWNOFSA-N 287.403 3.625 30 20 CHED C[C@H](CN(CCC#N)CC1CC1)c1ccc(F)cc1 275785525 YDSHCVYAINNMFK-CYBMUJFWSA-N 260.356 3.555 30 20 CHED C[C@H]1C[C@@H](NCCCCC#N)c2ccsc2S1 361113998 PVZMMOWPLZVYAQ-CMPLNLGQSA-N 266.435 3.957 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2ccc(CC#N)cc2)CS1 277388137 YBQBVQAYBOVNBS-CABCVRRESA-N 260.406 3.695 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC(C)C)C(CC)CC 459042647 NUDCKMVICCABFS-CVEARBPZSA-N 296.455 3.576 30 20 CHED COc1ccc2c(c1)N(CCCCC#N)CCCC2 362439792 PBNCPRZGFLPYMM-UHFFFAOYSA-N 258.365 3.532 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cc(Cl)ccc1OC 620864221 WQQLYZDKZOJBEG-UHFFFAOYSA-N 295.810 3.752 30 20 CHED C=C(CNCc1ccc(OC)c(OCC)c1)c1ccccc1 620757785 GSTWKIKGHDCPJJ-UHFFFAOYSA-N 297.398 3.897 30 20 CHED Cc1nc(C)c(CNc2ncc(Cl)c(C)c2C#N)s1 273364353 QYXPXHLERFOPQC-UHFFFAOYSA-N 292.795 3.601 30 20 CHED CCCN(C(=O)CC(C)(C)C#N)[C@H]1CCc2ccccc21 278164239 AVWHKYCLDFOUNH-INIZCTEOSA-N 284.403 3.852 30 20 CHED N#CCC1CCN(Cc2ncc(-c3cccs3)o2)CC1 543807462 OQJCELFRIBVCPA-UHFFFAOYSA-N 287.388 3.529 30 20 CHED CC(C)n1ncc2c1[C@H](N[C@@H]1CCC[C@@H](C#N)C1)CCC2 373322950 DIQOGQDKDLKLQN-FVQBIDKESA-N 286.423 3.513 30 20 CHED C[C@H](NC[C@H]1CCC[C@H]1C)c1ccc(C#N)c(F)c1 467433263 PDISCOWGYVLYQK-TYNCELHUSA-N 260.356 3.784 30 20 CHED C[C@H](c1noc(-c2ccc(CC#N)cc2)n1)C(C)(C)C 547129750 UTEONWUBBQGVKK-LLVKDONJSA-N 269.348 3.952 30 20 CHED C#CC[C@@H](N[C@H](C)c1cnccc1C)c1ccccc1 271425211 CLFRQMXQUSIESS-CRAIPNDOSA-N 264.372 3.805 30 20 CHED C=CCCO[C@@H](C)c1nc(C2C(C)(C)C2(C)C)no1 624754442 ZEDYMQQAUDBPPB-JTQLQIEISA-N 264.369 3.873 30 20 CHED CC#CCCCC(=O)Nc1cnc(-c2ccccc2)s1 547339391 HWYBLCDUAQIGSN-UHFFFAOYSA-N 284.384 3.942 30 20 CHED C[C@@H](N[C@H](C)c1c(F)cncc1F)c1cccc(C#N)c1 285777311 SJTPJDBGXGWLDX-GHMZBOCLSA-N 287.313 3.643 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CCc2cc(OCC)ccc2C1 466428076 IETZEIMCFFOATD-CQSZACIVSA-N 287.403 3.572 30 20 CHED C[C@H]1[C@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1(F)F 461023690 LAMJLGQOGFNXRU-WRWORJQWSA-N 298.358 3.757 30 20 CHED C=CCOCCCC(=O)N1CCCCC[C@H]1CC(C)C 464070766 WBRAAVLKENMOAI-INIZCTEOSA-N 281.440 3.787 30 20 CHED CCCN(CC(C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 461908905 SAMOOCCNGWDHGA-AWEZNQCLSA-N 272.392 3.556 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)CC[C@@H]1C 460386294 IBNLVPAIXXWWLC-ZNMIVQPWSA-N 290.455 3.993 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccc(C2CCCC2)cc1 289945997 PXJGMNRAJRSDOP-ZDUSSCGKSA-N 270.376 3.576 30 20 CHED Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)cc(C)c1Cl 283120693 YHINTFLGOGXYFA-VIFPVBQESA-N 279.771 3.580 30 20 CHED CC#CCCSCc1ccc(C#N)cc1OC(F)F 462372516 KWOSSZNTBNAOCO-UHFFFAOYSA-N 281.327 3.806 30 20 CHED Cc1oc(C#N)cc1C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 286464496 VFOQOQOQUPCETD-SJKOYZFVSA-N 294.354 3.683 30 20 CHED Cc1cccc(OCCCC2(C#N)CCOCC2)c1C 281256384 HDDRWTGRRSVVQO-UHFFFAOYSA-N 273.376 3.783 30 20 CHED C=C(C)CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 553736511 NYLWBEKNPSWKMT-GVDBMIGSSA-N 284.403 3.540 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccc(O)c1OC 475279665 MGULPYGANCRBLQ-UHFFFAOYSA-N 297.398 3.979 30 20 CHED C=CCCc1ccccc1N[C@H](C)Cc1cnccn1 639155390 PAZZSZVLWRHFJE-CQSZACIVSA-N 267.376 3.638 30 20 CHED C[C@](C#N)(NC(=O)C1=CCCCCC1)C1CCCCC1 555415705 PUDYJYDXGJQTAL-QGZVFWFLSA-N 274.408 3.856 30 20 CHED C=CCC(C)(C)c1nc(-c2c(C)nsc2C)no1 293186264 ZSBOXCIALCGNHO-UHFFFAOYSA-N 263.366 3.664 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccnc(OC(C)C)c2)no1 554798826 HPLAZKNNJBGGNI-INIZCTEOSA-N 287.363 3.773 30 20 CHED C#Cc1ccc(CN(CC(C)C)CC(F)(F)F)cc1 809550116 YKMNQHRCHGDMCM-UHFFFAOYSA-N 269.310 3.688 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1coc(C(C)C)n1 807992791 RKUGFHYFZZCPFK-UHFFFAOYSA-N 299.378 3.692 30 20 CHED C[C@@H](c1ccccc1F)N(C)CCOc1cccc(C#N)c1 387561344 UCXPFOPYTPJWIH-AWEZNQCLSA-N 298.361 3.769 30 20 CHED C[C@H]1/C(=C\c2ccc(F)nc2)C(=O)c2ccccc21 809157891 WNKIVJTYICUEGS-WWNSAXIVSA-N 253.276 3.604 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2c2ccccc2)nc1 562047149 GYZSQXSRQNRQJM-RTBURBONSA-N 291.398 3.769 30 20 CHED C=C(CNC(=O)C=C(C1CC1)C1CC1)c1ccccc1 805250999 KBKXWLXZIYBFLR-UHFFFAOYSA-N 267.372 3.562 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccn2)C1 640700519 LKKKPTLCAPWEHL-NSHDSACASA-N 298.308 3.529 30 20 CHED C=CCCCCCNC(=O)c1c(Cl)cccc1OC 563358189 WDXAEMWLLZHEBF-UHFFFAOYSA-N 281.783 3.825 30 20 CHED C=CCCCCCCNC(=O)c1cscc1C 805221952 YVMSRKPMNDJTDM-UHFFFAOYSA-N 251.395 3.923 30 20 CHED O=C(/C=C\c1cc(Cl)cc(Cl)c1)c1ccnc(O)c1 806556703 XXFOJZLRJCWZRM-UPHRSURJSA-N 294.137 3.990 30 20 CHED CSC[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 292426314 NEAHUUMHRNKTJE-ZFWWWQNUSA-N 274.433 3.694 30 20 CHED CC(C)c1ccc(CCCNC(=O)CCCC#N)cc1 291708081 OGWGLFIIDFERMY-UHFFFAOYSA-N 272.392 3.553 30 20 CHED CC(C)(C)[C@@H]1CCC1=NNc1ccc(C(=O)O)cc1 807940441 VZTHAGZRCHRBFJ-GFCCVEGCSA-N 260.337 3.609 30 20 CHED CCCCCCCCCCN1C(=O)[C@@H]2C[C@H](F)CN2C1=O 804145441 OYURQDFTYCBSJB-KBPBESRZSA-N 298.402 3.502 30 20 CHED C#CCCCCCC(=O)Nc1csc(-c2ccncc2)n1 802580873 IBYNFUMYVDAOFE-UHFFFAOYSA-N 299.399 3.727 30 20 CHED C[C@H]1/C(=C\c2cc(O)ccc2[N+](=O)[O-])C(=O)c2ccccc21 809156121 JFSJSAVYDQFIRB-KXUVPBGPSA-N 295.294 3.684 30 20 CHED C=CCC(C)(C)CN[C@H](c1ccc(F)cc1)c1ncc[nH]1 293778837 SSDZZVYUCKJDRJ-OAHLLOKOSA-N 287.382 3.830 30 20 CHED N#Cc1ccc(CNc2ccc(N3CCCC3)cc2)c(F)c1 298074599 GDOJAJYVNXFYAV-UHFFFAOYSA-N 295.361 3.910 30 20 CHED CC1CC(C#N)(C(=O)O[C@H]2CCc3c(Cl)cccc32)C1 803394310 BTQYEXBKMIWFSQ-BHKPVTDMSA-N 289.762 3.810 30 20 CHED C=C(C)CCNc1ccc(/C=C/C(=O)OCC)cc1 809187856 QVAZBZXFPCHCIF-JXMROGBWSA-N 259.349 3.641 30 20 CHED Cc1cccc(OCCCc2noc(CCCC#N)n2)c1C 291134329 WYNJWJNWHUHMBQ-UHFFFAOYSA-N 299.374 3.544 30 20 CHED C[C@H](C#N)N(C)C(=O)CCCc1csc2ccccc12 297677729 CMZWSCDCUMLRTH-GFCCVEGCSA-N 286.400 3.594 30 20 CHED N#Cc1cc(Cl)ccc1COc1cccc(F)c1C#N 478843750 IXPHGDQOHPXYOT-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2cc(C)ccc2C1 479745929 NBTNBOLFXYKPRL-OAHLLOKOSA-N 286.419 3.808 30 20 CHED C=CC[C@@H](C(=O)NCC#Cc1ccccc1)c1ccccc1 487800319 MJTAOXYKKRMFFZ-LJQANCHMSA-N 289.378 3.514 30 20 CHED CCOc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc1 811695520 IEWBDVRPALKYTH-SXGWCWSVSA-N 289.334 3.779 30 20 CHED Cc1cccnc1NN=C1CC(C)(C)Oc2ccsc21 814911662 QLTOKEHMMCFJNT-UHFFFAOYSA-N 287.388 3.829 30 20 CHED C=CCN(CCOC)[C@H](CC)c1ccc(F)cc1F 484573394 JDAIGOVVUHTTIU-OAHLLOKOSA-N 269.335 3.550 30 20 CHED C=CCCCCCCNC(=O)N1CCC(C)(OCC)CC1 813753784 LXPKQMCSWQBQOM-UHFFFAOYSA-N 296.455 3.724 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)cc1 811685612 XQAXZSOTYHDFEJ-JXMROGBWSA-N 281.286 3.602 30 20 CHED CC(C)OCCON=C1C[C@@H]2CCCc3cccc1c32 812238803 GUEWLWVANAXOEP-AWEZNQCLSA-N 273.376 3.656 30 20 CHED CSc1ccc(C=NN[C@H](C)C(C)(C)C)s1 814937772 PFSYIJGVLDEPHX-SECBINFHSA-N 256.440 3.828 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cc(N)ccc1F 814812863 BDGYHSPZAZEEIW-UHFFFAOYSA-N 279.265 3.522 30 20 CHED CSCSc1nc(C)cc(C(F)(F)F)c1C#N 814732054 VOVZWZYJIYWQNJ-UHFFFAOYSA-N 278.324 3.693 30 20 CHED CC(C)OCCON=C1CC[C@@H](c2ccccc2)C1 814937175 XFOMONBGYJRROR-OAHLLOKOSA-N 261.365 3.752 30 20 CHED C#CCON=C(C)c1ccccc1OCc1ccccc1 812234593 LWYKMOQULCQMAY-UHFFFAOYSA-N 279.339 3.639 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)c1cccc(OC)c1 489826278 PCYRLLPCPUPYLU-CYBMUJFWSA-N 275.392 3.517 30 20 CHED CC[C@@H](O)CNN=C(CCc1ccc(Cl)cc1)C(C)C 811654312 OSXFDUIFNUNQCW-OAHLLOKOSA-N 296.842 3.645 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(C#N)s1 812243779 UTRJRBTXWJKSGZ-GORDUTHDSA-N 287.315 3.664 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H]1CCO[C@H](C(C)C)C1 489933790 LDPBQDQMOZTCCP-GJZGRUSLSA-N 281.440 3.546 30 20 CHED N#Cc1ccc(N[C@@H](CO)CC2CCC2)cc1C(F)(F)F 480854012 RBXKMAQQSPXILY-CYBMUJFWSA-N 298.308 3.540 30 20 CHED O=C(/C=C\c1cc(O)cc(C(F)(F)F)c1)c1cccnc1 811685104 JMNDIBPPGBNWEN-ARJAWSKDSA-N 293.244 3.702 30 20 CHED CC[C@@H]1CC[C@@H](C)N1Cc1ccc(Cl)cc1C#N 480862145 BWZDBKYHXWMSEF-IAQYHMDHSA-N 262.784 3.975 30 20 CHED Cc1cc(CNCC(F)(F)c2ccccc2)ccc1C#N 578285699 RJGADDJLZZFGDM-UHFFFAOYSA-N 286.325 3.748 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1ccc(OC)cc1 815999378 AODFATZLUKZWJE-JTQLQIEISA-N 270.275 3.511 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 811517202 KYTAPRDQVVSPEE-MAZHCROVSA-N 272.779 3.686 30 20 CHED CC#CCCN[C@@H](C)Cc1ccc(Br)c(F)c1 482160889 BXAAZQGABTWPOI-NSHDSACASA-N 298.199 3.522 30 20 CHED CC[C@H](CC(=O)N[C@]1(C#N)CC1(C)C)c1ccc(C)cc1 484918988 MQQDAKUXKASAQH-KDOFPFPSSA-N 284.403 3.687 30 20 CHED C=CCOCCOC(=O)c1cc2cccc(C)c2s1 813894326 IWCJXCLDNJEZNN-UHFFFAOYSA-N 276.357 3.569 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@@H]2CC(C)C)c1 726488572 WWBHVCXLVJFXLU-MRXNPFEDSA-N 286.444 3.875 30 20 CHED CC(C)[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCS1 480526334 MXBRMWWYWMGOHJ-OAHLLOKOSA-N 294.851 3.785 30 20 CHED N#CC1(CCN2CC[C@@H](c3ccncc3)C2)CCCCC1 577121889 KABANPRMSXBFAD-QGZVFWFLSA-N 283.419 3.735 30 20 CHED Cc1nc(N(CCc2cccc(F)c2)C2CC2)ccc1C#N 488128378 RRYOGNHRXUNKJK-UHFFFAOYSA-N 295.361 3.612 30 20 CHED COc1cc(C(C)=NOCCC2CC2)ccc1SC 814245702 DRELAMKBDNSVHP-UHFFFAOYSA-N 279.405 3.958 30 20 CHED CC/C(C)=C(/C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 819736332 HXMKPOQLZTYVSF-WUFNSSIPSA-N 270.376 3.824 30 20 CHED Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCCCCC#N 484649498 KDNUMFVRSOGELY-FUHWJXTLSA-N 286.419 3.969 30 20 CHED C(=NOCCC1CC1)c1ccc(Sc2ccccn2)o1 814246671 BLIRXHISQSQBPM-UHFFFAOYSA-N 288.372 3.976 30 20 CHED CCc1c(Nc2cccc(C#N)n2)cnn1C(CC)CC 575845717 ZZLBRJXUWDXOSH-UHFFFAOYSA-N 283.379 3.817 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 573895341 WMGRYQBQGZSYMN-BHYGNILZSA-N 276.424 3.647 30 20 CHED C[C@H](CC(=O)N(C)CC(C)(C)C#N)C1CCCCC1 497347108 KLVSNHGNSQLGBO-CYBMUJFWSA-N 264.413 3.601 30 20 CHED CC#CCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 498605749 USZGPVYCOSIMGZ-OLZOCXBDSA-N 296.197 3.627 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(F)cc2F)ccc1O 728232070 RZZSZCWDQSHBKP-XVNBXDOJSA-N 274.266 3.875 30 20 CHED C#Cc1ccc(C(=O)Oc2ccccc2[C@H](C)CC)nc1 728801562 AAIPKSRIXUFCGO-CYBMUJFWSA-N 279.339 3.796 30 20 CHED Cc1cc(Br)cc2c1[C@@H](NCCCC#N)CC2 494753660 ZVBPTJXAVWBILZ-ZDUSSCGKSA-N 293.208 3.638 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 497836151 NEOONAWTEOWNKC-ZIAGYGMSSA-N 266.429 3.809 30 20 CHED CC(C)C#CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 820190793 CQKUFJCALJNMKT-UHFFFAOYSA-N 294.398 3.533 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C\SCc1ccco1 493754855 MFGAOBOJUTWOCY-ZWXCPPHNSA-N 277.389 3.594 30 20 CHED N#CCCCCCC(=O)N1CCCCC[C@H]1c1ccncc1 588628898 YLDROPNSFLMMDU-KRWDZBQOSA-N 299.418 3.999 30 20 CHED C=CCCCCCN(C)c1ccc([N+](=O)[O-])cc1C#N 739898813 KEQSLBVXEYOERF-UHFFFAOYSA-N 273.336 3.649 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2nc(C)c(C)[nH]2)cc1C 901492088 UHECJMXTEHIJJM-VOTSOKGWSA-N 284.359 3.548 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(O)c(F)c1 734301593 GYNQERYOQJLFPC-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C=CCC[C@@H](NCc1cccc(N)c1)c1ccco1 665232084 FPXIBDWZPBXSNA-OAHLLOKOSA-N 256.349 3.659 30 20 CHED N#CCCCCN(Cc1ccccc1O)C1CCCC1 731845716 IKLDVVSRCCTXGS-UHFFFAOYSA-N 272.392 3.831 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1c(Cl)cnn1C)C2=O 588535183 SWMQFYRISCXMOO-CEXMDJMXSA-N 286.762 3.765 30 20 CHED CC(C)(C)SCCSCc1cc(C#N)ccn1 901545231 QNTLTUZMQILJPE-UHFFFAOYSA-N 266.435 3.718 30 20 CHED C=CCc1cc(OCC)cc(CN(C)C[C@H](C)CC)c1O 732182340 GJCVQBOLEPKRHP-CQSZACIVSA-N 291.435 3.997 30 20 CHED CC[C@@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1cccc(C#N)c1 902890945 KGJLIGKMHKFTQT-DLTLXFJOSA-N 272.392 3.555 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1ccc(Cl)s1 903100184 JIJWOEQQVVQCBZ-VIFPVBQESA-N 256.802 3.992 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1C 839043742 NLWRRWKKEKKSNR-UKRRQHHQSA-N 257.333 3.543 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccc(C)c(F)c2)no1 904334600 AHYBUOASFZTKRW-UHFFFAOYSA-N 260.312 3.939 30 20 CHED CC(C)(C)C#CC(=O)N(Cc1c(F)cccc1F)C1CC1 837577692 CYEMOHAVNUHXLU-UHFFFAOYSA-N 291.341 3.505 30 20 CHED C#Cc1ccc(C(=O)N(C(C)C)[C@@H](C)c2ccccc2)cn1 839366770 TXEYQLADPWCTFO-HNNXBMFYSA-N 292.382 3.675 30 20 CHED COc1ncccc1-c1ccc(C2(C#N)CCC2)cc1 906539039 PSWOIHZDAQVLLG-UHFFFAOYSA-N 264.328 3.702 30 20 CHED CC(=NNc1ccncn1)C1(c2ccccc2)CCCC1 835002342 UTZPPBPZZUTQOJ-UHFFFAOYSA-N 280.375 3.776 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)CCCCCC#N 588652364 QAXBIBWPKAHIFA-CABCVRRESA-N 264.413 3.888 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)/C(=C\C)CC 839891390 OBBVEVFDTYWYKG-STJUIISESA-N 257.377 3.646 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(C(F)(F)F)cc1 837320049 PFVUROMOYFXNGP-UHFFFAOYSA-N 269.266 3.693 30 20 CHED FCCCCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 671678332 RGDZCTIMNCEWDE-RKDXNWHRSA-N 295.242 3.799 30 20 CHED C=CC[C@@H](NCc1ccc(O)c(OCC)c1)c1ccncc1 838958389 KPKGEMKIJKBBPZ-MRXNPFEDSA-N 298.386 3.593 30 20 CHED Cc1cc(Cl)cc(/C=C\C(=O)c2c(C)nn(C)c2C)c1 834421615 RVKVAMYRZPTQBG-WAYWQWQTSA-N 288.778 3.895 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C(=O)O)cc2)cc1F 832928876 XTRHVDQIVQEUEK-WTKPLQERSA-N 284.286 3.728 30 20 CHED CC(C)(C)C#CC(=O)NCc1ccc2sccc2c1 837656701 IKVAYFXWUQNURR-UHFFFAOYSA-N 271.385 3.567 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2c(cnn2C(F)F)c1 676600318 RAABHVZMIOYCKL-SECBINFHSA-N 294.305 3.518 30 20 CHED Oc1ccc(C=NNc2ccc(Cl)nc2)cc1Cl 743449979 IUEFDFAONQUWDL-UHFFFAOYSA-N 282.130 3.540 30 20 CHED Cc1ccccc1-c1nsc(SCCC#N)n1 599086421 MSKUYYSFLPKBFA-UHFFFAOYSA-N 261.375 3.519 30 20 CHED N#Cc1c(CSC2CCCC2)cn2ccccc12 591593732 VHTDNDZCBJFPIE-UHFFFAOYSA-N 256.374 3.987 30 20 CHED CC1(C)Cc2cccc(C(=O)Nc3sccc3C#N)c2O1 593944120 SHGOQSGOOAXKSJ-UHFFFAOYSA-N 298.367 3.586 30 20 CHED Cc1ccc(NCC2(CC#N)CC2)cc1C(=O)N(C)C(C)C 594708450 XOTDMFVEXUGEMX-UHFFFAOYSA-N 299.418 3.581 30 20 CHED Cc1cc(C)c(NC(=O)NCc2ccc(C#N)cc2)c(C)c1 916410145 SBKGQPKTTCHOPI-UHFFFAOYSA-N 293.370 3.805 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 916244860 CMRNRDBPPBFTTC-UHFFFAOYSA-N 273.267 3.570 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H]1c1ccco1 591257379 VUMSOMMEDLWJMV-IXDOHACOSA-N 278.355 3.674 30 20 CHED Cc1ccc(C=NNC(=S)Nc2cccc(C)c2C)o1 915912055 OFQQVAURKKSVJM-UHFFFAOYSA-N 287.388 3.525 30 20 CHED C(=NNc1cnc2ccccc2n1)c1ccc2ccccc2n1 741463633 IGVLIZQSUAWTJR-UHFFFAOYSA-N 299.337 3.624 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1)C(C)C 916706301 UOYXFCJPXYAUJA-UHFFFAOYSA-N 252.745 3.768 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc(CC(=O)O)cc1 848413992 HBGIIOPVJYQFDE-LLVKDONJSA-N 274.364 3.538 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1nc(Cl)c(C#N)s1 841225293 MOTILBAAPQPDBA-MRVPVSSYSA-N 297.811 3.823 30 20 CHED CCC[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)OCC 599058793 GDTBXQKNEQKPPM-IUODEOHRSA-N 278.371 3.553 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)Cc2ccccc21 916151477 IQHTUYSUHWUKLW-CQSZACIVSA-N 262.356 3.678 30 20 CHED CCC/N=C(/NCc1ccc(C)cc1)Nc1ccccc1 849054954 ZGDPRILVGYCQDD-UHFFFAOYSA-N 281.403 3.963 30 20 CHED Cc1ccccc1-c1cnc(CN2CCC[C@@H](CC#N)C2)o1 595615376 QJRBGKOZOGSJFR-HNNXBMFYSA-N 295.386 3.776 30 20 CHED Cc1ccc(C=NNc2oc(CC(C)C)nc2C#N)cc1C 745613120 LJOROLPBNMIEPR-UHFFFAOYSA-N 296.374 3.808 30 20 CHED CC[C@@]1(C)CCCN(CCCOc2ccc(C#N)cc2)C1 743860776 UJGJRSDMKXRQAD-SFHVURJKSA-N 286.419 3.839 30 20 CHED Cc1ccccc1C[C@H](C)NCCc1ccc(C#N)cc1 594955286 MPWIJUZKDBFPDD-INIZCTEOSA-N 278.399 3.630 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(C#N)c(Cl)c1 590759522 DYLMHBIZSFSWPV-ZBEGNZNMSA-N 290.794 3.654 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@H](C)c1ccc(Cl)cc1 593096300 NWZDZSIAOMUIGI-WBMJQRKESA-N 292.810 3.888 30 20 CHED C=CCOc1ccccc1C(=O)OCc1ccsc1 744239300 NXDMMUPMIFAYTL-UHFFFAOYSA-N 274.341 3.670 30 20 CHED Cc1cc(F)ccc1C=NNc1ccc(Cl)nc1 743452482 XNSVVWZYBDYAMX-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc2ccncc12 592623150 ULFAUABJCNHQRC-UHFFFAOYSA-N 295.386 3.779 30 20 CHED CC(=NNc1ncccc1Cl)c1nc(C)sc1C 917549106 ILTCKSSRMKSPCD-UHFFFAOYSA-N 280.784 3.644 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H](C)Oc1ccc(C)cc1 743042617 MKHQEGGPZQJQPN-ONDHQXCVSA-N 299.370 3.596 30 20 CHED Cc1nc(C#N)c(NN=Cc2cc3cc(C)c(C)cc3o2)o1 749815079 JITRHCZPSXDVRF-UHFFFAOYSA-N 294.314 3.664 30 20 CHED C=CCCC(=NNc1nnc(-c2ccccc2)n1C)C1CC1 747752928 HAFOYBZMRBXVOI-UHFFFAOYSA-N 295.390 3.626 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCC[C@H]1CCCc1ccccc1 593547220 OTDKBTZOKNPFJU-ROUUACIJSA-N 298.430 3.940 30 20 CHED C[C@H](N[C@H](C)C[C@H]1CCCCCN1)c1cccc(C#N)c1 591571006 SKQZWQHEPXDANV-RVKKMQEKSA-N 285.435 3.520 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CC1(C#N)CCCCC1 849906409 AYRPCDLAFSTGBF-UHFFFAOYSA-N 296.370 3.774 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(C)(C)C 844563715 SQWVTKJDABRTPW-FZMZJTMJSA-N 277.795 3.608 30 20 CHED CSCC1(CC(=O)O[C@H](C)c2cccc(C#N)c2)CC1 845348805 AKEBAPGSAOCDNB-GFCCVEGCSA-N 289.400 3.696 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccc(OC)c(Cl)c1 840795359 XSOMPMGXLTZEQN-UHFFFAOYSA-N 298.839 3.847 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@@H]2CC=CCC2)c1 920990968 LXDWHCSXIZUZJR-KAECEXQPSA-N 259.349 3.566 30 20 CHED C=C[C@H]1CCCCN1Cc1ccn(-c2cccc(F)c2)n1 683792971 JQXSXGASJXRWBE-INIZCTEOSA-N 285.366 3.552 30 20 CHED C=C(CN[C@H](C)C1(Br)CC1)c1ccccc1 924841461 KVTUBOSWAMSOAG-GFCCVEGCSA-N 280.209 3.605 30 20 CHED C=C[C@@H](C)NC(=O)C1(Cc2cccs2)CCCCC1 685782542 NIINUURLMPOCPJ-CYBMUJFWSA-N 277.433 3.932 30 20 CHED C=CCn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CC 685542584 IXDMGUUFLYDZRP-LBPRGKRZSA-N 288.370 3.505 30 20 CHED CCC/C=C\C(=O)Nc1cccc(OCCCC#N)c1 920738581 SVPGEAPIUKBUTQ-WMZJFQQLSA-N 272.348 3.664 30 20 CHED C#CCCOc1ccc(C=NNc2ccc(OC)cc2)cc1 750924119 KTAXWZDLKNHMPR-UHFFFAOYSA-N 294.354 3.543 30 20 CHED C=C[C@H](OC(=O)Cc1nc(C)sc1C)c1ccccc1 851452301 QJPMFRAQZRWZRS-HNNXBMFYSA-N 287.384 3.773 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 753414084 URABHACOANQMMZ-UKRRQHHQSA-N 289.375 3.731 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](CCC)c1ccccn1 684894144 HBHQGVOTOGDZEW-DZGCQCFKSA-N 275.396 3.577 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCc3c(C)cccc3C2)c1 754027153 DCRSHEOYCFUIHB-UHFFFAOYSA-N 290.366 3.632 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CSc2ccccc21 926494527 HUYHLPGCHKDPIU-CHWSQXEVSA-N 274.433 3.794 30 20 CHED C#CC[C@H](Nc1cc(C)nc(C2CC2)n1)c1ccccc1 756952868 FCNHMCYIMPEUID-INIZCTEOSA-N 277.371 3.839 30 20 CHED C=C[C@H](CC(=O)OCc1ccc(C)nc1)c1ccccc1 759455621 CLSIVXLPCZPCEN-MRXNPFEDSA-N 281.355 3.793 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C1CCCC1 750682377 XKRMENITWYWBHI-WCQYABFASA-N 281.359 3.565 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)c1ccc(F)cc1F 752152796 RDLSQCVFDXMEEA-XTTRTJGBSA-N 291.297 3.859 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)OCCCCC#N 751909141 XSIQZDNDNQHDAI-CYBMUJFWSA-N 251.370 3.830 30 20 CHED CC(C)c1ccc2cc(C(=O)N3CCC[C@@H](C#N)C3)[nH]c2c1 928229509 RLRNYOMLURWJCV-ZDUSSCGKSA-N 295.386 3.667 30 20 CHED CC[C@H](C)CCNCc1ccc(N(C)CCC#N)cc1 850355674 LLQBSQGBYVPSIJ-HNNXBMFYSA-N 273.424 3.562 30 20 CHED C#C[C@H](CC)NC(=O)CCC(=O)c1ccc(CCCC)cc1 754357526 MUHQDPBHHDIRBP-QGZVFWFLSA-N 299.414 3.520 30 20 CHED CC(CCc1ccc(F)cc1)=NO[C@@H]1CCCCO1 755816956 IFTYGESHPYXFMU-OAHLLOKOSA-N 265.328 3.677 30 20 CHED Cc1cc(-c2cnn([C@H]3CCCCO3)c2)ccc1CC#N 854210070 MQPWFSZRONHSCX-QGZVFWFLSA-N 281.359 3.624 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(F)cc(F)c1)C2 755602283 VTCDYADDFKBYIC-QCDXTXTGSA-N 286.277 3.796 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ccc(N(C)C)cc1 856375313 USGIIMZGMJZPPD-UHFFFAOYSA-N 288.435 3.546 30 20 CHED CC(C)c1cccc(C=NN[C@H](C)C(F)(F)F)c1 853354200 ZBMXFDQPOLQFLL-SNVBAGLBSA-N 258.287 3.684 30 20 CHED N#Cc1c(F)ccc(/C=C2\C(=O)Oc3ccccc32)c1Cl 761479966 YPVSMZAKIOVLKT-XFFZJAGNSA-N 299.688 3.810 30 20 CHED C[C@@H]1CN(C(=O)Nc2sccc2C#N)[C@H]2CCCC[C@H]12 931837154 FAXKSOCZNXDRJJ-RTXFEEFZSA-N 289.404 3.662 30 20 CHED CCc1csc(SCCCC2(C#N)CCOCC2)n1 865386347 IZWYHYBTOPDAIA-UHFFFAOYSA-N 296.461 3.898 30 20 CHED Cn1cc(C=NNc2ccc(Cl)cc2)c(C(C)(C)C)n1 769566365 FPKRUYUORSEVJL-UHFFFAOYSA-N 290.798 3.817 30 20 CHED CC(C)(C#N)CCCCOC(=O)CSC(F)(F)F 768582453 RXAXNKBYDGBWHM-UHFFFAOYSA-N 283.315 3.503 30 20 CHED CC[C@H](C)C(C)=NNc1ccnc(Br)c1 769803351 ASGKRUMVIXVQLY-QMMMGPOBSA-N 270.174 3.678 30 20 CHED C#CCCCN1CCCCC[C@H]1C[C@H](O)c1ccccc1 766906635 SRVLFIUKEWLXBR-OALUTQOASA-N 285.431 3.768 30 20 CHED C[C@]1(C(=O)OC[C@H](C#N)Cc2ccccc2)C[C@H]2CC[C@H]1C2 860592088 KEZPVEFHIVXUFH-DWRORGKVSA-N 297.398 3.738 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1cnn(C)c1)CCCO2 761881900 RRHDYLOXFSFIOW-UHFFFAOYSA-N 298.390 3.532 30 20 CHED C#CCN(Cc1cnc(-c2ccc(C)cc2)s1)C1CC1 764676320 JQBBVEZIUHPIBH-UHFFFAOYSA-N 282.412 3.716 30 20 CHED N#CCOc1cccc(CNc2nc3ccccc3s2)c1 1116059983 ZDTAKBGEJYOVNE-UHFFFAOYSA-N 295.367 3.811 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ccc(OCC#N)cc2)C1 1119629382 PVVXRHBBZPOWBL-UKRRQHHQSA-N 276.405 3.675 30 20 CHED CC(C)CN(CCC#N)Cc1ccccc1N1CCCC1 1116438390 DIUHOFWHJQJYJE-UHFFFAOYSA-N 285.435 3.658 30 20 CHED C#C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 775573331 HEEMTIRIMIYNKT-CQDKDKBSSA-N 297.320 3.537 30 20 CHED CC[C@H](CC(=O)OCC1(C#N)CC1)c1ccc(C)cc1 775859937 PKUUQEXOORNVCP-CQSZACIVSA-N 271.360 3.726 30 20 CHED C#CCCCCC(=O)OCc1ccc(C)cc1Cl 773460989 JBFJHVIRICCVBQ-UHFFFAOYSA-N 264.752 3.885 30 20 CHED Fc1ccc(-c2ccc(C=NOC3CCOCC3)o2)cc1 774444016 JMSDOGUNSVZMHB-UHFFFAOYSA-N 289.306 3.615 30 20 CHED C#CCOc1ccc([C@H](C)NC2CCC(F)(F)CC2)cc1 773116634 FIYATYVHMUAWKH-ZDUSSCGKSA-N 293.357 3.927 30 20 CHED C=C(C)CNC(=S)Nc1c(C)cc(C)cc1Cl 777473245 FXSVMVFYDHNRTR-UHFFFAOYSA-N 268.813 3.819 30 20 CHED N#CC1(CCCN2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 1116905350 WSOKQSAWEJDQRM-IAGOWNOFSA-N 290.451 3.599 30 20 CHED Cc1ccc(/C=C2\Oc3cc(F)ccc3C2=O)s1 773172307 MIUUZUDHKGQAKD-QPEQYQDCSA-N 260.289 3.812 30 20 CHED CC(C[C@@H]1CCOC1)=NN[C@H](Cc1ccccc1)C(C)C 777447098 DFVFKMNEHCEWLW-ZWKOTPCHSA-N 288.435 3.646 30 20 CHED CC(=NNC[C@@H](C)C#N)c1ccc2c(c1)Cc1ccccc1-2 771108762 VERRJMTXTXOMTN-ZDUSSCGKSA-N 289.382 3.731 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C(C)=C(\C)CC 779878553 DGLWGORCSCNQKB-FOCLMDBBSA-N 271.404 3.990 30 20 CHED CC1(C)CC(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 887700791 ZYYYSNYQNWENEX-UHFFFAOYSA-N 296.414 3.700 30 20 CHED C[C@H]1CCC[C@@H](CNc2ccc(F)cc2OCC#N)C1 770595989 IPNATCLPZNBEIW-QWHCGFSZSA-N 276.355 3.966 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 1129809627 RDHXEBVTWNWCMH-UMVBOHGHSA-N 270.376 3.878 30 20 CHED C[C@H](C#N)CN(C)Cc1cccc(SC(F)(F)F)c1 781327424 GMGZAZAUPMIFCT-SNVBAGLBSA-N 288.338 3.890 30 20 CHED C=C(Br)CN1CC[C@H](c2cccc(C)c2)C1 784480872 JQLJLDWOHQYKEL-AWEZNQCLSA-N 280.209 3.693 30 20 CHED C=C(Br)CSCC(=O)OC1CCCCC1 783499301 CHKQWGSJUYJOBC-UHFFFAOYSA-N 293.226 3.504 30 20 CHED Cc1ccnc(Cl)c1OCc1ccc(CC#N)cc1 783906293 ICLFRJWKZGWJRQ-UHFFFAOYSA-N 272.735 3.689 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)cc(Br)c1 393841144 TWHCUAFCHBCMKX-ZDUSSCGKSA-N 296.208 3.842 30 20 CHED C#CCOc1ccc([C@H](C)NCc2cscc2C)cc1 786928552 TZYNZDAFADBMAV-AWEZNQCLSA-N 285.412 3.919 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1c1ccc(O)cc1 780400134 GVXWCOKIEHTZSY-QGZVFWFLSA-N 285.387 3.639 30 20 CHED CC(C)c1ncc(CN(CC#N)C2CCCC2)s1 93563130 SBHVYZWUXLNEBF-UHFFFAOYSA-N 263.410 3.535 30 20 CHED CCS[C@H](C(=O)Oc1ccc(C#N)cc1CC)C(C)C 799444830 XRKUNVYVOZAQAN-HNNXBMFYSA-N 291.416 3.804 30 20 CHED N#Cc1ccc(Oc2c(F)cc([N+](=O)[O-])cc2F)cc1 301772215 GGEJEHJILFZHDW-UHFFFAOYSA-N 276.198 3.537 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc3c(c2)OC2(CCCC2)O3)C1 799722404 ODJREOSMZLMXHL-STQMWFEESA-N 284.359 3.832 30 20 CHED COc1cccc2c1CCC[C@@H]2NCc1ccc(C#N)cc1 799715484 QVATYSDWSLFRCD-SFHVURJKSA-N 292.382 3.734 30 20 CHED C#CCCCCC(=O)N1CCC[C@H](C2CCCCC2)C1 708254293 JSRZJSJKDGQKJG-KRWDZBQOSA-N 275.436 3.999 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC)Cc1ccc(Cl)cc1 791069443 LCEHASXHLAUHES-OAHLLOKOSA-N 292.810 3.673 30 20 CHED CCC(CC)CNN=C(C)c1coc(C(C)C)n1 799484619 GYGKYWIZVICDOY-UHFFFAOYSA-N 251.374 3.548 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNc1ccc(Cl)nn1 797398388 RTWRORZMAWBJMM-ZJUUUORDSA-N 266.776 3.744 30 20 CHED CCC[C@@H](C(=O)OCc1ccccc1C#N)c1ccccn1 799532054 ZLVYBPZHKDXTCR-MRXNPFEDSA-N 294.354 3.580 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc(Br)s1 790183496 SYCTVDGSVHRNIM-SSDOTTSWSA-N 275.215 3.623 30 20 CHED CSCC(=NNc1cccc(Cl)n1)c1ccccc1 793181054 HMQXXNKJLVENDK-UHFFFAOYSA-N 291.807 3.914 30 20 CHED CC1(C)CCC(=NOC2CCOCC2)c2ccccc21 794858880 BVEZRMYKGYUFFI-UHFFFAOYSA-N 273.376 3.658 30 20 CHED Cc1ccc(C(=O)N(C)CCCc2ccccc2)cc1C#N 799309381 DFUSSWNPCGQYND-UHFFFAOYSA-N 292.382 3.572 30 20 CHED C=CCCC(C)(C)NCc1ccc(OC)c(F)c1 657805622 RUZULNUEGAQMQY-UHFFFAOYSA-N 251.345 3.669 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@H]2CCC(F)(F)C2)c1 797397583 FLLMRANNRHQFPX-HPAYWCODSA-N 283.318 3.645 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(Oc2ccccc2)cn1 799628090 VHWYWIIQEFRTFK-ZDUSSCGKSA-N 296.326 3.723 30 20 CHED C[C@H](c1ccco1)N(C(=O)CC#Cc1ccccc1)C1CC1 1319117265 JRSVSFQIDNQAFU-OAHLLOKOSA-N 293.366 3.773 30 20 CHED CC(C)c1ccc(NC(=O)Nc2cc(CC#N)ccn2)cc1 1311075049 WPOFMTKEGJHNMW-UHFFFAOYSA-N 294.358 3.915 30 20 CHED CCC[C@@H](CNc1c(Br)cccc1C#N)OC 1612416716 PLVJTNINTSIDLW-NSHDSACASA-N 297.196 3.548 30 20 CHED N#Cc1ccc(CNCc2ccc3c(c2)CCC3)cc1Cl 1322686582 MXMVKIMIYKBZPJ-UHFFFAOYSA-N 296.801 3.990 30 20 CHED CC(C)c1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C#N 1324282362 MQPZLGNNADWHRC-NSHDSACASA-N 284.315 3.534 30 20 CHED C[C@@H]1[C@@H](CNC(=O)CC#Cc2ccccc2)CCC[C@H]1C 1321249260 ALPPZGPPWAMFMH-SOLBZPMBSA-N 283.415 3.617 30 20 CHED C#Cc1ccc(NC[C@H]2CCCO[C@@H]2c2ccccc2)nc1 1336476976 OILUJBKFBVRYBR-IEBWSBKVSA-N 292.382 3.643 30 20 CHED C=C[C@@H](CC(=O)N(CC(F)F)C1CCC1)c1ccccc1 1334280250 INEJCXKFEGTVFR-ZDUSSCGKSA-N 293.357 3.993 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(CN3CCCCC3)cc2)C1 1333735429 ZYBPETRUNQJIBZ-WMZOPIPTSA-N 283.419 3.777 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1ncc(C)s1 1340097230 BIAYTEFHORLWOV-CHWSQXEVSA-N 293.436 3.653 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)[C@@H](C#N)c1nccn1C 1343854232 WXJKOGBMCAUFNB-RHSMWYFYSA-N 289.423 3.983 30 20 CHED CC(C)[C@@]1(C)C[C@H]1c1nnc(COc2ccc(C#N)cc2)o1 1261572802 ZEKDQYVXXHBNIT-WMLDXEAASA-N 297.358 3.670 30 20 CHED Cc1cc(C)c(/C=C/C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc1C 1344016465 GEQLBQSNJJCVID-NDOICKTLSA-N 283.371 3.861 30 20 CHED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@H]2F)cc1 1264522211 ZIRZOIQJDVXOCU-GVDBMIGSSA-N 294.329 3.639 30 20 CHED C[C@H](C#N)COC(=O)c1nc(-c2ccccc2)oc1C1CC1 1342643258 RSLRPUSSRJIUDY-LLVKDONJSA-N 296.326 3.535 30 20 CHED CC[C@@H](C)N(C(=O)c1ccc(C#N)cc1F)[C@H](C)CC 1340611007 JEZMMFQHGKEZLN-VXGBXAGGSA-N 276.355 3.737 30 20 CHED CN(C(=O)c1ccsc1C(F)F)c1ccccc1C#N 1435544264 DLUIATLDXDUMLW-UHFFFAOYSA-N 292.310 3.834 30 20 CHED CC[C@@H](CC(C)C)C(=O)O[C@H](CC#N)c1ccco1 1520425537 WNLZQCSRRUVCCX-GXTWGEPZSA-N 263.337 3.850 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C#N)c1 1523823343 VEBVVWPBWOMXQC-GDBMZVCRSA-N 284.403 3.813 30 20 CHED CC[C@@H](C)[C@H](C)N(Cc1ccc(C#N)cc1OC)C1CC1 1473156561 WUPNDUYJVQTWDA-KGLIPLIRSA-N 286.419 3.966 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)Nc1sccc1C#N 1476829038 MKDRSELJTYLCCX-UHFFFAOYSA-N 297.383 3.777 30 20 CHED Cc1nc(C#N)cc(N[C@H](C2CCCCC2)C2CCC2)n1 1472814776 UBYPVYFQLYNWTL-QGZVFWFLSA-N 284.407 3.818 30 20 CHED N#Cc1cnc(Oc2ccc(F)cc2)c(Br)c1 1639185769 CISJISUGMNCWHE-UHFFFAOYSA-N 293.095 3.647 30 20 CHED N#Cc1c[nH]ccc1=NCCc1cccc(-c2ccccc2)c1 1642977292 MGFOXOYFCCYHDG-UHFFFAOYSA-N 299.377 3.697 30 20 CHED C#CCOc1ccccc1CNCC(CC)(CC)SC 230707529 CXDJKOABWJHZNX-UHFFFAOYSA-N 291.460 3.710 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1ccc(CO)cc1 1652050766 MEBSCGPQAJUZAX-UHFFFAOYSA-N 287.746 3.591 30 20 CHED CC1(C)CCC[C@H](OC(=O)C2(C#N)CCCCC2)C1 1583277561 FFEDCELACAJNGV-ZDUSSCGKSA-N 263.381 3.972 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@H](C)c2cccc(C)c2)C1 1776154205 ZBQRMYZGJXEXJG-CRAIPNDOSA-N 287.403 3.799 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1ccc(C(=O)O)s1)C2 1777455739 SIPGUSHVRMJGPM-DHZHZOJOSA-N 284.336 3.577 30 20 CHED Cc1cccc(C(=O)/C=C\c2cccc(C(=O)O)c2F)c1 1776127265 NETVIFZTFUTZTL-HJWRWDBZSA-N 284.286 3.728 30 20 CHED CC(C)c1ccc(NN=Cc2ccc(/C=C\C(=O)O)o2)cc1 1776060069 BAYHSIQISSUVMX-UCQRLJKNSA-N 298.342 3.947 30 20 CHED N#CCC[C@H](NC(=O)c1ccccc1F)c1ccccc1 153453607 YIEVSSIXUNKXMB-INIZCTEOSA-N 282.318 3.601 30 20 CHED CC(C)(C)CN(CCC#N)CCCOc1cccc(C#N)c1 156491707 KHDYECMIPVCOAQ-UHFFFAOYSA-N 299.418 3.589 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 154876248 QNCJOMGIDLXJGM-OKZBNKHCSA-N 298.430 3.713 30 20 CHED N#Cc1ccc(NCc2ccc3ncccc3c2)cc1 20248236 ZOBJBEBHTOPJIZ-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C=CCN(Cc1cc(F)cc2cccnc12)C(C)C 917167909 HNRAPIPGIACKSN-UHFFFAOYSA-N 258.340 3.770 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)cn2)cc1Cl 128075109 LXLUDDZLACCVIW-UHFFFAOYSA-N 292.125 3.512 30 20 CHED COc1cccc2c1CC[C@@H]2Nc1ccc(C#N)cc1 163248839 LWDUILIHHAFILZ-INIZCTEOSA-N 264.328 3.666 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(C#N)cc1Cl 165572932 ZMQIZHXWZWRRDW-UHFFFAOYSA-N 282.730 3.971 30 20 CHED Cc1nc(C#N)cc(N(CCC(C)C)CCC(C)C)n1 308155393 AKEXPDQLGZLCLA-UHFFFAOYSA-N 274.412 3.555 30 20 CHED CC[C@@H]1COC(C)(C)CN1Cc1ccc(C#N)cc1Cl 403938915 VTMNIDAXHQYBGZ-CQSZACIVSA-N 292.810 3.601 30 20 CHED N#Cc1cc(Cl)cc(OC[C@H](O)CC2CCCC2)c1 311356286 DCFZGQXBKRXHJE-CQSZACIVSA-N 279.767 3.532 30 20 CHED Cc1cc(C#N)ccc1COc1cc(Cl)cc(C#N)c1 312995558 TVKVBLXFSNFZAN-UHFFFAOYSA-N 282.730 3.971 30 20 CHED N#CC1(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CCCC1 332779337 ODVSMEQXOPMDGF-RBSFLKMASA-N 274.408 3.545 30 20 CHED C=CCCc1csc(COCc2ccccc2)n1 90065586 XHNBWLXJCXTKHY-UHFFFAOYSA-N 259.374 3.979 30 20 CHED C=CCN(Cc1ccccc1)c1ncc(C#N)cc1Cl 485214673 BNHPHXLJSKANMG-UHFFFAOYSA-N 283.762 3.799 30 20 CHED C[C@H]1Cc2ncn(CCCCC(C)(C)C#N)c2C[C@H]1C 380688380 DUIUXNIPCOBBND-UONOGXRCSA-N 273.424 3.974 30 20 CHED C=CCCSCCNc1cccc(C(F)(F)F)n1 596413659 QMGUCHFHRMOBRG-UHFFFAOYSA-N 276.327 3.822 30 20 CHED C=CCN(Cc1ccccc1)CC(F)(F)C(F)F 733897900 QSIZJTDBCMYCJW-UHFFFAOYSA-N 261.262 3.575 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)[C@H]2CCC[C@@H]21 559426035 YPRCDUFEFSEPKE-HOTGVXAUSA-N 272.367 3.708 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCC[C@H]2C(F)(F)F)o1 610511629 TYJGHOICDGVGHK-GXFFZTMASA-N 286.297 3.610 30 20 CHED CCOC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 3175 DOUNUCOWFGAARX-UHFFFAOYSA-N 298.308 3.582 30 20 CHED C#CCOc1ccccc1CN[C@H](CC)c1ccccc1 50198473 VODMSQNUKOXGFD-GOSISDBHSA-N 279.383 3.940 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)Nc1ccc(C#N)cc1)C1CC1 109846893 BDNXNPVFHJNVLE-QWHCGFSZSA-N 285.391 3.989 30 20 CHED C=CCCC(=O)NCCc1ccc(C(C)(C)C)cc1 102229586 VXLZKECMMOBINM-UHFFFAOYSA-N 259.393 3.609 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccccc1Nc1ccccc1 53077221 XLZGEBFTTCXLKB-AWEZNQCLSA-N 293.370 3.662 30 20 CHED CCN(CCNCC(C)(C)CCC#N)c1ccccc1C 174272783 SODVVMCGQKXITB-UHFFFAOYSA-N 287.451 3.741 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(OC(F)F)cc1 176895441 CCMFWVQMKZHNGV-UHFFFAOYSA-N 295.329 3.673 30 20 CHED C[C@H](Sc1nncn1C(C)(C)C)c1ccc(C#N)cc1 118176778 DNZUBUSJPWMJQY-NSHDSACASA-N 286.404 3.758 30 20 CHED N#Cc1ccsc1C(=O)NCc1ccc2ccccc2c1 52030178 DVBGHAFENVAQIP-UHFFFAOYSA-N 292.363 3.703 30 20 CHED C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccsc1 119564587 KTJGJSWEVYNZLD-SECBINFHSA-N 274.320 3.501 30 20 CHED CC1CCC(N(C)Cc2ccc(O[C@@H](C)C#N)cc2)CC1 179718259 SIBPRXMZFLTTFB-CKDBGZEDSA-N 286.419 3.988 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)c1cc2ccccc2o1 176228944 UZUOZLIMXAQIFL-SJKOYZFVSA-N 284.359 3.591 30 20 CHED Cn1nccc1/C=C1/Cc2c(ccc(Cl)c2Cl)C1=O 171510892 UIDKAYIKQRJYDM-VURMDHGXSA-N 293.153 3.549 30 20 CHED CC(C)(CCC#N)CNCC1(O)CCC(C(C)(C)C)CC1 174375463 FRSVBWIHNONEBL-UHFFFAOYSA-N 294.483 3.873 30 20 CHED C[C@H]1CCCCN1CCCCNc1ccc(C#N)cc1 301077155 GQPJAJWLRZPIEL-HNNXBMFYSA-N 271.408 3.625 30 20 CHED N#Cc1ccc(F)c(CN2CCC[C@H]2Cc2ccccc2)c1 25359636 GKCDRWQHXCAZMO-SFHVURJKSA-N 294.373 3.904 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2C#N)c1 1351905614 NXQBKITXDDUTJS-JKSUJKDBSA-N 276.339 3.609 30 20 CHED C=CCC[C@H](NC1CCN(Cc2ccccc2)CC1)C1CC1 119785111 LEXARRKOWYONSK-FQEVSTJZSA-N 298.474 3.985 30 20 CHED Cc1nnc(Oc2ccc(OC(C)C)cc2)c(C#N)c1C 117326633 LUVDXUHAJFOIMF-UHFFFAOYSA-N 283.331 3.545 30 20 CHED C=CCOc1ccc(CNCc2cc(C)oc2C)cc1 114505099 KYCBBBHGGHVLHZ-UHFFFAOYSA-N 271.360 3.751 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1ccc(F)cc1Cl 301279081 NDOLOJKIHHXEPR-VIFPVBQESA-N 275.714 3.919 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2ncccc2C#N)C1 301289872 PUQTVAUHDXBHDK-GOSISDBHSA-N 277.371 3.511 30 20 CHED CC1(C)CCCN(CCCCC(F)(F)F)[C@@H]1C#N 444737063 WNVDVITYGVZFNR-LLVKDONJSA-N 262.319 3.733 30 20 CHED CCCCCCCC(=O)NCc1nc2cc(F)ccc2[nH]1 174461426 IYBJQPOQMDLNNZ-UHFFFAOYSA-N 291.370 3.679 30 20 CHED C=CCOCCCC(=O)N(C1CCC(C)CC1)C1CC1 173882229 CJSVMBSYNWJNNZ-UHFFFAOYSA-N 279.424 3.539 30 20 CHED C=CCCCC(=O)N[C@H]1CCSc2ccccc21 175121613 OQYVIQZYPAKQDN-ZDUSSCGKSA-N 261.390 3.696 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(Cl)c1O 177443085 RJGMYESGYDPOLQ-UHFFFAOYSA-N 265.740 3.753 30 20 CHED COc1ccc2[nH]cc(C3=CCN(CCCC#N)CC3)c2c1 125527210 ZGWHYTJXDDKSGO-UHFFFAOYSA-N 295.386 3.569 30 20 CHED C=C(C)CNc1ncnc2sc3c(c12)CCCC3 302407970 HBJDFKQLCMXFJY-UHFFFAOYSA-N 259.378 3.558 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 182192604 HBZIISHTAQQGDL-WMLDXEAASA-N 284.403 3.760 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCSc2c(F)cccc21 185076546 LNXIOMMPDPXCTG-CQSZACIVSA-N 291.391 3.672 30 20 CHED N#C[C@@H](NC(=O)C1=CCCCC1)c1ccccc1Cl 189687615 HLQTXKQJZQCQND-CQSZACIVSA-N 274.751 3.521 30 20 CHED N#C[C@H]1CCC[C@H](NCC2(c3ccc(F)cc3)CCC2)C1 185807354 XQHQGQXJDLOPEU-YOEHRIQHSA-N 286.394 3.919 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 185173031 HPACTFDPLBQCMF-OAHLLOKOSA-N 287.403 3.845 30 20 CHED C=C(C)[C@@H](NC(=O)NC1(C)CCC1)c1ccc(F)c(F)c1 185830114 KRDRKSQPZSNKHM-CQSZACIVSA-N 294.345 3.824 30 20 CHED C=C(C)COCCN[C@H](CC)c1ccc(Cl)cc1 125626664 NUGMFICBQQPEBM-OAHLLOKOSA-N 267.800 3.973 30 20 CHED CC(C)(C)[C@H]1CN(C(=O)c2ccc(C#N)o2)c2ccccc21 508080778 AIWYDMRZDUBLSN-AWEZNQCLSA-N 294.354 3.941 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(Cl)ccc1N(C)C 77498418 KBWKUUPBTUANBR-UHFFFAOYSA-N 295.814 3.836 30 20 CHED Cc1cc(CN2CCC[C@H]2C2CCC2)ccc1C#N 487911420 MAXBDIJTBBFZBQ-KRWDZBQOSA-N 254.377 3.631 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccc(OCC)cc2[nH]1 410126499 AIBCQRNMXCESEJ-CYBMUJFWSA-N 286.375 3.651 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 186835850 OCDRCXWPLMBUQR-XJKSGUPXSA-N 290.794 3.857 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)COc2c(F)cccc21 72042129 OOHCWRZWJKGKLI-UXBLZVDNSA-N 290.240 3.763 30 20 CHED CCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 181725647 XRAWFIURKWCWOU-AWEZNQCLSA-N 295.386 3.593 30 20 CHED N#C[C@@H](COC(=O)/C=C/c1ccccc1)Cc1ccccc1 79219835 XICNPEAICDCZGQ-DXRVJIQQSA-N 291.350 3.625 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(C#N)s2)c(C(C)(C)C)n1 180321937 KMYLAYAVPZTCHK-FNORWQNLSA-N 299.399 3.547 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2)c(OC)c1 31350248 ZRDCNUALRUCCPA-FLIBITNWSA-N 268.312 3.600 30 20 CHED C=CCN(C)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 121580865 QVCISAPGCLQILJ-ZDUSSCGKSA-N 271.364 3.532 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)C[C@H](O)c1ccco1 120771851 QMYCLBBUFYIBSZ-ILXRZTDVSA-N 265.397 3.816 30 20 CHED Cc1sc2nc([C@@H](C)SCCC#N)nc(O)c2c1C 413015995 UZVJCKAVJGLWMX-SECBINFHSA-N 293.417 3.722 30 20 CHED C=CC[C@H](CC)NC(=O)CCC(=O)c1cc(C)ccc1C 410145370 LLFQHRSZCCACPT-HNNXBMFYSA-N 287.403 3.737 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H](C#N)C1 414311952 ZDRQQRYLGDWREV-RCCFBDPRSA-N 268.404 3.846 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 182112418 SEROPRIKGQPTSG-ZDUSSCGKSA-N 280.327 3.538 30 20 CHED CC(C)(C)CCC(=O)Nc1cc(C#N)ccc1OC(F)F 78109484 MVHVYWDPRKEMID-UHFFFAOYSA-N 296.317 3.924 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)CCCc1c[nH]c2ccccc12 181990438 LXMJWMSTDSIHBJ-MRXNPFEDSA-N 298.386 3.972 30 20 CHED COc1cccc(/C=C\C(=O)c2cccnc2)c1OC(C)C 211711448 NYDHWZZSFQOBEP-KTKRTIGZSA-N 297.354 3.774 30 20 CHED N#C[C@@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1 49904449 GCVKHEPLJRMNFH-MRXNPFEDSA-N 298.773 3.654 30 20 CHED CCSc1cc(Cl)ccc1C(=O)NCCCCC#N 185829111 YXXDYDSYUPVSNL-UHFFFAOYSA-N 296.823 3.876 30 20 CHED N#CC1(CCn2cc(C(F)(F)F)ccc2=O)CCCCC1 412979770 CWBCYMOQZFKGKY-UHFFFAOYSA-N 298.308 3.731 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(F)c1 181306900 XETCSFCSIBFKHC-LLVKDONJSA-N 299.305 3.761 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2ccc(F)cc2C1 181406351 DOTSDSOJPLGBQQ-CYBMUJFWSA-N 290.382 3.638 30 20 CHED CC(C)c1nnc(S[C@@H](C)c2cccc(C#N)c2)n1C 189842336 RRVGEMCDPWEBHY-NSHDSACASA-N 286.404 3.663 30 20 CHED COc1ccccc1/C(C)=C/C(=O)O[C@H](C)C(C)(C)C#N 131146975 FBHTYVVZPZPSNL-RSKUSDAESA-N 287.359 3.580 30 20 CHED N#Cc1cc(F)ccc1NCc1ccnc(OC2CCC2)c1 89641499 RPASZYLPWBYGBY-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CC(C)Nc1cccc(OCc2cccc(C#N)c2)c1 88524188 AHNNZOBGQSNRSX-UHFFFAOYSA-N 266.344 3.958 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc(F)c(Cl)c1 160060157 QEBFYQHKOYACOF-UHFFFAOYSA-N 296.773 3.881 30 20 CHED CCCCCCCCCOc1ccc(C)[n+]([O-])c1 194680188 YZFCUZMNPQTGLQ-UHFFFAOYSA-N 251.370 3.758 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 416282127 BRCQZVJFCNZYKP-LSDHHAIUSA-N 288.435 3.961 30 20 CHED C[C@H](Nc1ccnc(C#N)c1)c1ccc(Cl)s1 61811967 XTMKJTLZHGZZAZ-QMMMGPOBSA-N 263.753 3.841 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccccc2C#N)c1 194587625 SEISQRXQVSOMDZ-MDZDMXLPSA-N 277.323 3.601 30 20 CHED N#Cc1cccnc1NCc1ccc2ccccc2c1 49281573 PGTXTIZGGCPTJY-UHFFFAOYSA-N 259.312 3.719 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)CCC1CCCCC1 45250375 ISQUNQJCRKOSGK-UHFFFAOYSA-N 284.403 3.877 30 20 CHED C=C(C)[C@H](NCC[C@@H](C)F)c1ccc(F)c(F)c1 509135649 HSSFVZTZZGKHTB-YGRLFVJLSA-N 257.299 3.920 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCc2ccccc21 132416380 JQUVLHRAYOCAEC-MRXNPFEDSA-N 269.388 3.601 30 20 CHED C=CCN(Cc1nc2ccccc2[nH]1)Cc1cccs1 195351214 LKLIPXDYGJKYPP-UHFFFAOYSA-N 283.400 3.813 30 20 CHED Cc1c(NC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)ccc(C#N)c1C#N 421551987 BAMLSDUVKLILQM-JYAVWHMHSA-N 295.386 3.749 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 84710984 AEUDSSBHXLCYTM-ZWNOBZJWSA-N 299.292 3.729 30 20 CHED C[C@H]1CC[C@@H](NCc2cc(C#N)n(C)c2)c2ccccc21 191472915 ULSZBZHRWZWRGN-SCLBCKFNSA-N 279.387 3.625 30 20 CHED CCCc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 424330007 PYKFIFZJAMMVHB-UKPHBRMFSA-N 256.393 3.982 30 20 CHED C[C@](/N=C(/O)[C@H]1CC12CCCC2)(C(=N)O)c1ccccc1 329974499 ZDYWPMGHUMETST-CZUORRHYSA-N 286.375 3.974 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C(/O)[C@@H]1CCC(O)=NC1)CCC2 329184625 AESHDTJUSSSYTR-UKRRQHHQSA-N 286.375 3.695 30 20 CHED Fc1ccc(C#CCSc2nnc(C3CC3)s2)cc1 135309618 STVBPCUKLPGDKK-UHFFFAOYSA-N 290.388 3.698 30 20 CHED CC(C)c1cccc(N(C)C(=O)Cc2ccc(C#N)cc2)c1 194758049 GSKQUKITRFATNG-UHFFFAOYSA-N 292.382 3.887 30 20 CHED COc1cccc(CCCSc2cccnc2C#N)c1 519180406 RUVNQUCYZSYSLL-UHFFFAOYSA-N 284.384 3.687 30 20 CHED N#CCC1CCN([C@H]2CCCc3ccccc32)CC1 335977056 IUOGRDGVCNSCER-KRWDZBQOSA-N 254.377 3.690 30 20 CHED CC(C)c1ccoc1C(=O)Nc1sccc1C#N 334318482 SETNXLADEDPKDD-UHFFFAOYSA-N 260.318 3.588 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](CC(F)F)c1ccccc1 420845210 OCUMYIYZGXCOAX-CYBMUJFWSA-N 296.361 3.894 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(F)ccc1F 336220120 LDRUEVRIMDSOHJ-NSHDSACASA-N 266.291 3.537 30 20 CHED CC(C)N(CC#Cc1ccc(Cl)cc1)C1CCC1 426448825 GVVPDDRNDLGLLU-UHFFFAOYSA-N 261.796 3.954 30 20 CHED Cc1cccn2cc(CSc3cccc(F)c3C#N)nc12 515362830 KLUKMSAUHZNDEP-UHFFFAOYSA-N 297.358 3.946 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc2[nH]ccc12 335788062 CIJWTHSPULXRFH-GFCCVEGCSA-N 269.348 3.740 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 424720682 ZLMXHVORPAYSBE-AWEZNQCLSA-N 297.402 3.652 30 20 CHED N#Cc1ccc(-c2nc(C3Cc4ccccc4C3)no2)s1 230997830 XZYJVRUDQMWPBI-UHFFFAOYSA-N 293.351 3.552 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc2ccc(F)cc2s1 233355997 DIQRSOIUDMDTQG-GFCCVEGCSA-N 275.348 3.572 30 20 CHED C=C[C@H]1CCCCN1Cc1cc2c(F)cccc2[nH]1 426577953 FUVQWLOUKBFUJA-ZDUSSCGKSA-N 258.340 3.848 30 20 CHED N#Cc1cnc2ccccc2c1NCCc1ccccc1F 97393463 JDWJDJPLZZNTPE-UHFFFAOYSA-N 291.329 3.900 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC2(CCC2)C1 338800340 OTRFUBOEPBFYOF-AWEZNQCLSA-N 288.439 3.748 30 20 CHED Cc1cc(NC(=O)N2CCC(C#N)CC2)c2ccccc2c1 334722010 QIOGPWPRRCODGI-UHFFFAOYSA-N 293.370 3.916 30 20 CHED Cn1c(SCCC(C)(C)C#N)nc2ccccc21 97599209 ZAYPAAXXHANHNN-UHFFFAOYSA-N 259.378 3.605 30 20 CHED C[C@H](Nc1c(F)cc(C#N)cc1F)c1ccncc1F 335047285 HYIBYGVFCJYCJA-QMMMGPOBSA-N 277.249 3.544 30 20 CHED Cc1cc(C)c(-c2csc(NC(=O)CC#N)n2)c(C)c1 336414061 NINPKIHVRXPUEW-UHFFFAOYSA-N 285.372 3.588 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc(C(C)C)c(C)s1 529520288 UCSQBFCPGPVLTA-UHFFFAOYSA-N 279.409 3.843 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)[C@H]2CC[C@@H](C)O2)[nH]1 330208083 ATPDCQFIGXXFRT-BXUZGUMPSA-N 285.347 3.541 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 436389212 LSMZNDXDBJYHJP-XJKCOSOUSA-N 265.360 3.811 30 20 CHED CCC1(C/N=C(/O)c2snnc2C)CCCCC1 330983493 ORZUVGYIQHBROS-UHFFFAOYSA-N 267.398 3.512 30 20 CHED Cc1cc(C)cc(C[C@H](C)NCc2cccc(C#N)c2)c1 237522911 SYKIJUIKINGULO-INIZCTEOSA-N 278.399 3.896 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(C)ccc1F 432751881 FTZJKULBFFKMRK-UHFFFAOYSA-N 264.344 3.858 30 20 CHED CC1(C)CCCC[C@H]1Nc1ccc(OCC#N)cc1 94274643 ZMYZKXRHNHCLPR-OAHLLOKOSA-N 258.365 3.970 30 20 CHED CCCCCS[C@@H](C)C(=O)Nc1ccccc1C#N 180732037 RGCOMBYZHSUFLK-LBPRGKRZSA-N 276.405 3.809 30 20 CHED N#Cc1cnccc1/C=C/C=C\c1ccccc1[N+](=O)[O-] 349105131 FTNLRLDZHVAVNN-KQBQUPHGSA-N 277.283 3.588 30 20 CHED Cc1nc(NC(=O)C2(C)CCCC2)sc1SCC#N 341616733 QMWCWVGFKJXRAO-UHFFFAOYSA-N 295.433 3.586 30 20 CHED CC(C)Oc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 430757617 WVRKQKKUOHECMU-CQSZACIVSA-N 272.392 3.818 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)c1cc(C#N)oc1C 435692639 PZHCOKLNDNDVKA-HNNXBMFYSA-N 296.370 3.601 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc2cnccc12 343237656 LMMDWYVYPCRPKP-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cc(F)ccc1-n1cccn1 342262089 MSACNBZZDQJWGC-LBPRGKRZSA-N 287.338 3.552 30 20 CHED Cc1oc(-c2ccccc2)nc1CN(C)CC(C)(C)C#N 433299120 QHMGARNNXNJNEJ-UHFFFAOYSA-N 283.375 3.632 30 20 CHED C=CCCCCNCC1(CCOC)CCCCC1 436407669 GAPLDCXCNXPFLP-UHFFFAOYSA-N 253.430 3.919 30 20 CHED C=CC[C@H]1N(C(=O)c2c(C)ccn2C)CCCC1(C)C 347452107 USKHBCIWMCUVKR-CQSZACIVSA-N 274.408 3.540 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn(-c2ccc(C)cc2C)c1 342353095 JXJJNIDLZGTSLB-AWEZNQCLSA-N 298.390 3.575 30 20 CHED CCSCC[C@@H](C)N(C)Cc1cccc(C#N)c1F 340834101 NXDKYBFWDZPJEB-GFCCVEGCSA-N 280.412 3.661 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1c1ncc(C#N)cc1Cl 523754123 KYVXUXWMPVUGHM-SWLSCSKDSA-N 297.789 3.989 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1ccnc2cc(F)ccc12 435591825 HRYBGJWKVPKFMY-SJKOYZFVSA-N 286.350 3.767 30 20 CHED CC(C)c1cnc(-c2ccc(NC(=O)[C@@H](C)C#N)cc2)o1 347124554 OYONSHJTVZGCHJ-NSHDSACASA-N 283.331 3.563 30 20 CHED C=C[C@@H](Cc1nc(-c2ccc(O)cc2)no1)c1ccccc1 436779287 VCBYTQGQNBAHFH-ZDUSSCGKSA-N 292.338 3.955 30 20 CHED N#CC1(CN2CCC[C@@H](c3ccccc3)CC2)CC1 343323668 VCROFEBAXZJNHC-MRXNPFEDSA-N 254.377 3.560 30 20 CHED C=CC1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 600683071 HYEBFYDARIYDQK-NSHDSACASA-N 251.320 3.924 30 20 CHED CC(C)(C#N)CCCCn1nnnc1/C=C/c1ccccc1 436183549 AUERCOQNHZOTAW-ZHACJKMWSA-N 295.390 3.564 30 20 CHED Cc1sccc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 601822884 DRQUQBKTRHIKRQ-LLVKDONJSA-N 284.384 3.746 30 20 CHED COCc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1 255417636 PTULPYUTJLRFCF-KTKRTIGZSA-N 270.303 3.868 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 607593995 PFQPFIMWYDYHIY-DLBZAZTESA-N 299.414 3.950 30 20 CHED Cc1cocc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 528286290 LSHUSWIIHSWSFJ-UHFFFAOYSA-N 282.343 3.511 30 20 CHED CCOc1cc(/C=C\c2ccncc2C#N)ccc1OC 347428193 JOIUSLVYMVSNOE-XQRVVYSFSA-N 280.327 3.531 30 20 CHED Cc1cc(C)c(C#N)c(NCCOC2CCCCCC2)n1 609823071 ARLMSOIOZKRPCZ-UHFFFAOYSA-N 287.407 3.721 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(C2CCCCC2)cs1 601700742 FVXRNXQKXPIWFX-JTQLQIEISA-N 277.393 3.679 30 20 CHED O=C(/C=C\c1cc(Br)cs1)c1ccncc1 255077349 BKRSUQCSXUTWNL-UPHRSURJSA-N 294.173 3.802 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N[C@@](C)(C#N)C(C)C 255847500 VXRRYUGSSVBEFY-CKDIWJPDSA-N 290.794 3.798 30 20 CHED CC1(C#N)CCC(NCC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 449101797 GRBGRRAAMSBKMR-CGLCSIQHSA-N 260.425 3.875 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 355496347 RFTOXRIUFSPWNT-GDNZZTSVSA-N 274.339 3.708 30 20 CHED CSCc1cnc(CNc2cccc(C#N)c2C)s1 352827183 UVKZCEQFUISWNO-UHFFFAOYSA-N 289.429 3.798 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCC[C@H]2SCC)CC1 356311495 VSJHLXBIUPDATN-QWHCGFSZSA-N 267.438 3.523 30 20 CHED CCCCc1ccc(CC(=O)N[C@H](C#N)CC(C)C)cc1 608821509 SZAGLJFQXXZCGF-KRWDZBQOSA-N 286.419 3.626 30 20 CHED C[C@@H](NCC1(C#N)CCC1)[C@@H]1C[C@H]1c1cccs1 602693008 AAYOQACJKCXRBP-FRRDWIJNSA-N 260.406 3.524 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(C)c2cn[nH]c12 538352046 OVFBPXSCAVEQOA-LBPRGKRZSA-N 286.379 3.738 30 20 CHED CC[C@@H](NCC1(C(F)F)CC1)c1ccc(C#N)cc1 359005447 WFSYSFOPSYZUIH-CYBMUJFWSA-N 264.319 3.644 30 20 CHED Cc1[nH]ccc(=N[C@@H](CCC#N)c2ccccc2)c1Cl 355092409 JYHFPRWWPAUNHK-AWEZNQCLSA-N 285.778 3.922 30 20 CHED C=C(C)CCc1noc([C@H]2CC23CCSCC3)n1 351122727 LLTYXKRBYSBBFA-LLVKDONJSA-N 264.394 3.579 30 20 CHED CC(C)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 442675581 GOYQHQYIVHCZPU-CQSZACIVSA-N 256.393 3.987 30 20 CHED C=CCCC[C@H](C)NC(=O)CCOc1cccc(Cl)c1 538334854 YAMCNAKIRQWCLE-ZDUSSCGKSA-N 295.810 3.970 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1Cc1cccc(C#N)c1 610003613 BKYZJTKNDNUQBI-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CC(C)C1CCC(CNCc2ccc(C#N)o2)CC1 537320457 JZBQUKYGGBGDOO-UHFFFAOYSA-N 260.381 3.703 30 20 CHED Cc1noc(C)c1CCNc1nc(C(C)(C)C)ccc1C#N 613422844 FGIKYRXNGFXFTK-UHFFFAOYSA-N 298.390 3.510 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(Cl)c1 538334538 YEHYZYBBGCWIBR-OLZOCXBDSA-N 295.810 3.968 30 20 CHED C[C@H](NCCCC#N)C1CCC(C(F)(F)F)CC1 354639145 RKWAOJYPZGSXLD-UNXYVOJBSA-N 262.319 3.637 30 20 CHED Cc1nnc([C@@H](C)Sc2ccc(C#N)cc2Cl)o1 268310176 ZDHYOWGLPBYKIX-SSDOTTSWSA-N 279.752 3.756 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)c1cc2ccccc2n1CC#N 611326523 JUMUUZSURHJDOQ-HIFRSBDPSA-N 295.386 3.568 30 20 CHED N#CC1CCN(c2ncc(-c3ccccc3)s2)CC1 267343548 DYLFDOWBLGRQSX-UHFFFAOYSA-N 269.373 3.550 30 20 CHED Cc1ccc(-c2noc(-c3ccc(CC#N)cc3)n2)cc1 534692433 TYCJFUOFGOKBQH-UHFFFAOYSA-N 275.311 3.778 30 20 CHED N#Cc1ccc(CN2CCCc3cccc(F)c32)cc1 533357707 QAQUNHUKCSMZGD-UHFFFAOYSA-N 266.319 3.650 30 20 CHED CCC[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)C(C)C 611199868 NZAHAANZBQNYEG-CZUORRHYSA-N 272.392 3.808 30 20 CHED CN(CCC#N)C(=O)Nc1ccc(-c2ccccc2)cc1F 610660964 QRGICDUOBYKXLA-UHFFFAOYSA-N 297.333 3.870 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1cccc(CC#N)c1)C1CC1 264111104 BXSYIOAMMAEIFG-KBPBESRZSA-N 284.403 3.792 30 20 CHED C=CCN(C)C(=O)c1ccc(C)c(Cl)c1Cl 450785649 FUABJTBCEXHUDQ-UHFFFAOYSA-N 258.148 3.560 30 20 CHED CCC(C)(C)c1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1 451313047 LSBCUIVSXDETPZ-SJCJKPOMSA-N 270.376 3.862 30 20 CHED C=C(CC)CNC(=O)Nc1ccnn1[C@H](C)CC(C)C 455129510 ANRSHDSFQBGLLG-CYBMUJFWSA-N 278.400 3.578 30 20 CHED CCN(C(=O)Nc1cc(C)cc(C#N)c1)C1CCCC1 455983177 IPVWYNVMTSFGRM-UHFFFAOYSA-N 271.364 3.663 30 20 CHED C=CCC1(CN[C@@H](C)c2nccs2)CCCC1 453384330 TZUBLHRYHSVWIS-LBPRGKRZSA-N 250.411 3.930 30 20 CHED N#Cc1ccc(N2CCC[C@@]3(CCSC3)C2)cc1Cl 450898926 DCSUNVIMMXIKAQ-OAHLLOKOSA-N 292.835 3.935 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(-c2ncco2)c1C 455496096 WUAAUKFETBJTJJ-LLVKDONJSA-N 285.347 3.736 30 20 CHED N#Cc1ccccc1CNc1ccc2c(cnn2C(F)F)c1 610957354 ZROHRQOFUPTSMP-UHFFFAOYSA-N 298.296 3.915 30 20 CHED CC(C)C[C@H]1C[C@H](Nc2snc(Cl)c2C#N)CCO1 271915206 BRPIBAJBHMJBEL-ZJUUUORDSA-N 299.827 3.674 30 20 CHED Cc1ccccc1-c1noc(-c2ccc(CC#N)cc2)n1 546965850 CGGPENWBTJTGOY-UHFFFAOYSA-N 275.311 3.778 30 20 CHED C=CCCc1nc(-c2ccc(CSC)cc2)no1 546351964 RSVZUMUZTSBUBT-UHFFFAOYSA-N 260.362 3.718 30 20 CHED C=CCCCCN[C@H](C)CC(=O)Nc1ccccc1C 274597104 OREYKZBNCGIPDR-OAHLLOKOSA-N 274.408 3.658 30 20 CHED CCC[C@H](NC(=O)c1ccc(CC#N)cc1)C1CCCC1 458336126 KHYCXDHETQTFNO-KRWDZBQOSA-N 284.403 3.841 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc3cccnc23)C1 617788663 OMTXGCBVFGQAQX-AWEZNQCLSA-N 280.371 3.663 30 20 CHED N#CC1(CN2CCC(Cc3c(F)cccc3F)CC2)CC1 451956311 HGADJSXVXNRWHC-UHFFFAOYSA-N 290.357 3.523 30 20 CHED COc1ccc2nc(C)cc(OCC3(C#N)CCC3)c2c1 450786622 DCUJWRJRHUYVNZ-UHFFFAOYSA-N 282.343 3.625 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCCc2ccc(O)cc21 360995798 JLBGBQCJIHYFMV-MRXNPFEDSA-N 272.392 3.689 30 20 CHED C[C@H](C#N)CN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 546654542 GRRASASCBPIFMB-BYCMXARLSA-N 262.784 3.725 30 20 CHED C=C(C)COc1cc(CN2CC[C@@H]2C(C)C)ccc1OC 540505265 WWRSUCJPZNJTIG-MRXNPFEDSA-N 289.419 3.880 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 621206838 LKBHNBCOSWRWGU-IRXDYDNUSA-N 293.451 3.931 30 20 CHED C=CCN(CC(=O)Nc1ccccc1C(C)(C)C)C1CC1 540057425 OXTNGVNBKBAJMF-UHFFFAOYSA-N 286.419 3.573 30 20 CHED C=C(CC)CN1CCN(CC(=C)CC)[C@H](CCC)C1 540217100 JGNSFDJLUXQMGY-QGZVFWFLSA-N 264.457 3.705 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(OC(F)F)cc1 620864165 STRGTMXVWGFDMH-UHFFFAOYSA-N 283.318 3.763 30 20 CHED C=CCCC[C@H](C)N[C@@H](COC)Cc1ccccc1 541588313 DBSBXOGVDVCFNT-DOTOQJQBSA-N 261.409 3.579 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(Br)c2)C1 379814631 QUPMORKZMUFVRJ-CABZTGNLSA-N 265.154 3.553 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCSc1ccccc1 466361150 PXNQWAAIOVNHOF-MRXNPFEDSA-N 277.433 3.887 30 20 CHED CC(C)c1csc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n1 461799143 PZGXYRNKHSYORW-NSHDSACASA-N 299.399 3.880 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1cccc(C(F)F)c1 468398682 YKAKHAGCTMYXAR-AWEZNQCLSA-N 279.330 3.734 30 20 CHED C=CCOc1ccc(C(=O)NCCc2cccc(C)c2)cc1 623608227 STYDQCZOGJINMG-UHFFFAOYSA-N 295.382 3.532 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NCc1ccc(C#N)cn1 554078373 IJPOHFRGOSJYLA-WBVHZDCISA-N 271.408 3.648 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1ccccc1F)c1ccco1 285916378 DMTLMUYDWYRFDS-CVEARBPZSA-N 289.350 3.749 30 20 CHED C=CCCC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 280106850 XORGGLZTQKSPIB-DZGCQCFKSA-N 261.340 3.544 30 20 CHED N#Cc1cc(N2CC[C@H](CSc3ccccc3)C2)ccn1 288255393 GHFWOXCINYYYHA-AWEZNQCLSA-N 295.411 3.572 30 20 CHED CSc1ccc(CCN[C@@H]2CCC[C@H](C#N)C2)cc1 280718797 FJGIVEZGBCKHSG-LSDHHAIUSA-N 274.433 3.623 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1ccc2ccccc2c1 464747667 ANZLJMKSBQFQIK-CYBMUJFWSA-N 268.360 3.556 30 20 CHED C=C(CNC(=O)N(CC)C(CC)CC)c1ccccc1 461419134 NNUJBLNZGRCPGB-UHFFFAOYSA-N 274.408 3.920 30 20 CHED CCC(=O)c1cccc(C#N)c1Oc1ccnc(C2CC2)n1 631473413 LGHZCGADGHMQDB-UHFFFAOYSA-N 293.326 3.611 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)c1ccccc1C 466527672 KAIKARUFXYZMEW-AWEZNQCLSA-N 259.393 3.744 30 20 CHED C=CC1CCN(C(=O)NCc2c(C)oc3ccccc23)CC1 467270969 GRTAWBZUHAODJE-UHFFFAOYSA-N 298.386 3.849 30 20 CHED CC(=O)CC(C)(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 636489006 OBAJCEAAPVYMSO-UHFFFAOYSA-N 292.766 3.546 30 20 CHED COc1ccsc1[C@@H](C)NC1(c2cccc(C#N)c2)CC1 551570317 MSTMLDLYEDUDRA-GFCCVEGCSA-N 298.411 3.968 30 20 CHED C=CC(C)(C)C(=O)Nc1nc2c(OC)cc(F)cc2s1 556145321 SEBSBDRSOGDSNS-UHFFFAOYSA-N 294.351 3.595 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1c1nccc(C#N)c1Cl 557605303 JNKDSVAOYTWRCD-WFASDCNBSA-N 297.789 3.989 30 20 CHED CC(C)Oc1cccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)c1 293728804 GKYOONTUSCVQES-GDBMZVCRSA-N 272.392 3.598 30 20 CHED C=CCOCCN[C@H](c1ccc(Cl)cc1)C1CCC1 559146726 CFBZVIZKPUZTKB-INIZCTEOSA-N 279.811 3.973 30 20 CHED Cc1cc(OC(=O)[C@@H]2CCC(F)(F)C2)c(C)c(C)c1C#N 809037575 DCFYURCCOQBISV-GFCCVEGCSA-N 293.313 3.824 30 20 CHED C[C@H]1C[C@H](C(=O)N(CCC#N)Cc2ccco2)CC[C@H]1C 294394840 CPPQEECIJYWZDZ-QLFBSQMISA-N 288.391 3.594 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N[C@H](C#N)C(C)(C)C 291363893 BVQKIALCJDLLDK-ZIAGYGMSSA-N 290.432 3.612 30 20 CHED C[C@@H]1C(=NNc2nccnc2C2CCC2)CCC[C@H]1C 807991425 LORSEVXMDLYPMC-NEPJUHHUSA-N 272.396 3.968 30 20 CHED C(=NN[C@@H]1CCSC1)c1ccc(Oc2ccccc2)o1 808000870 VMORNQKXZJRTHL-GFCCVEGCSA-N 288.372 3.501 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(N2CCCCCC2)cc1 801775548 NRWYXRMOLDLLIB-CQSZACIVSA-N 287.407 3.763 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 474023019 RKOCVKTVJKPMNG-KRWDZBQOSA-N 298.430 3.506 30 20 CHED N#Cc1ccnc(NCCc2cccc(Cl)c2Cl)c1 561133550 BROKRNBJLFFDKJ-UHFFFAOYSA-N 292.169 3.915 30 20 CHED N#CCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 293467126 WVGZFQQNMHDADK-RCCFBDPRSA-N 296.414 3.865 30 20 CHED CCOc1ccc(/C=N/[C@@H]2c3ccccc3O[C@@H]2C)c(O)c1 809144515 NYWSJAWOTRSNRT-WJIZZEOWSA-N 297.354 3.732 30 20 CHED CC(C)N(C(=O)CCCC#N)c1ccc(F)cc1Cl 291551455 UJJFMYMLCMKSPO-UHFFFAOYSA-N 282.746 3.914 30 20 CHED N#Cc1ccc(CNC2(Cc3cccc(F)c3)CCC2)cc1 479874570 NUVAEQMROLUMEH-UHFFFAOYSA-N 294.373 3.952 30 20 CHED CCCC[C@@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 800393857 RAAQCQMZXWCEAC-OLZOCXBDSA-N 283.375 3.874 30 20 CHED C=C(Cl)CNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801907360 JQHWYVDNHXGMBV-JTQLQIEISA-N 295.663 3.585 30 20 CHED CCCC[C@@H](SCc1ccc(F)c(C#N)c1)C(=O)OC 475897449 NEFDXUIGBADYDQ-CQSZACIVSA-N 295.379 3.662 30 20 CHED C=CC[C@@H](C(=O)OC[C@@H](F)C(F)(F)F)c1ccccc1 800204630 QRHLOZNATDYDRX-VXGBXAGGSA-N 290.256 3.790 30 20 CHED C[C@@H](NC(=O)c1cscc1C#N)[C@H](C)C1CCCCC1 569832307 BGNLAAYSHWADHZ-NWDGAFQWSA-N 290.432 3.954 30 20 CHED COc1cccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 568776629 WOQZDFNXCRYADC-BFUOFWGJSA-N 292.382 3.905 30 20 CHED C#C[C@H](NC/C=C\c1ccc(F)cc1F)C(C)(C)C 809782904 KLNWGIVRXATOKW-XHPSBEMXSA-N 263.331 3.616 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](SCc1ccccc1)C(C)C 479322196 XECVNCGNYQGFFT-INIZCTEOSA-N 291.460 3.979 30 20 CHED Cc1ccc2sc(C(=O)N(C)[C@H](C)CC#N)cc2c1 290503380 USKOZPBJRMQKCD-LLVKDONJSA-N 272.373 3.584 30 20 CHED CC(C)(C)c1ccc(C(=O)NCC#Cc2ccccc2)s1 477064045 UTXVDILNZWHZHW-UHFFFAOYSA-N 297.423 3.827 30 20 CHED CC(C)c1[nH]ccc1C(=O)OCc1ccc(F)cc1C#N 803780245 OCUHTGMIFYHBEA-UHFFFAOYSA-N 286.306 3.506 30 20 CHED C[C@@H](c1ccc2c(c1)CCC2)[S@@](=O)CCC(C)(C)C#N 563549808 FQCFSFXCWGCBRI-RBZFPXEDSA-N 289.444 3.925 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 812017851 JZFKTAPEUVBBBZ-VHSXEESVSA-N 299.201 3.718 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC[C@@H]2C2CCC2)o1 814821031 TZOUFRIWNDIUHD-LLVKDONJSA-N 272.352 3.648 30 20 CHED CC(C)n1cc(/C=C2\Oc3cccc(Cl)c3C2=O)cn1 811699595 UHXGMCYYPPDWDZ-MLPAPPSSSA-N 288.734 3.734 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccc(O)c(F)c1 814945228 RJWIZAAWODREJR-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C=CCN(C(=O)C(C)(C)c1cccc(Cl)c1F)C1CC1 484153834 AULZAOWZQJQMDO-UHFFFAOYSA-N 295.785 3.934 30 20 CHED CC[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)C(C)(C)C 560529071 ITJWVMFYPAWWHP-SFHVURJKSA-N 299.462 3.941 30 20 CHED COc1cccc(O)c1C=Nc1ccc(-c2cnc[nH]2)cc1 812399607 SLAJDMLEHBDFPJ-UHFFFAOYSA-N 293.326 3.542 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](O)c1ccc(Cl)cc1 813459163 NOTZRDFOQJLPMJ-OAHLLOKOSA-N 295.810 3.578 30 20 CHED C=CCCCS(=O)(=O)Oc1ccccc1[C@H](C)CC 813642558 AYDNNQIZWPVCEX-CYBMUJFWSA-N 282.405 3.875 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(C)cn1)c1ccc(Cl)cc1 810204335 QBKSBSHBUBSDSO-AWEZNQCLSA-N 299.761 3.539 30 20 CHED CC(C)[C@@H]1N(C(=O)[C@H](C)c2cccc(C#N)c2)CC1(C)C 480517870 ZAYATZRPCNSPSR-CJNGLKHVSA-N 284.403 3.555 30 20 CHED c1cnc(C(CC2CCCCC2)=NOCC2CC2)nc1 814244235 JUEMXKWVRATLCK-UHFFFAOYSA-N 273.380 3.578 30 20 CHED C=C[C@H]1CCCCN1C(=O)COc1cccc(Cl)c1C 488882029 PNWKJVRCMVNZNQ-ZDUSSCGKSA-N 293.794 3.594 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccc(C(=O)O)cc1 814680711 FUXTVZVNMAZSEC-CYBMUJFWSA-N 285.347 3.503 30 20 CHED CCC(=NO[C@@H]1CCCCO1)c1ccc(F)cc1F 814887893 SETWMQOFVBCRRY-CQSZACIVSA-N 269.291 3.622 30 20 CHED C=CC(C)(C)CNC(=O)N1Cc2ccccc2C(F)(F)C1 653093306 CEMJDJTXLOEUDB-UHFFFAOYSA-N 294.345 3.516 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 574939430 PLGNQSGWVRSIQI-LLVKDONJSA-N 290.363 3.587 30 20 CHED C=CCCOC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 729074244 MFNHOIHXBQPPNB-CHWSQXEVSA-N 295.176 3.672 30 20 CHED C=CCCCCNC(=O)CCCc1c(F)cccc1F 653751118 IZPMKXRLRDGQME-UHFFFAOYSA-N 281.346 3.760 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1cccc2c1CCC2 728624866 MBGAOXHJQVPHOM-UHFFFAOYSA-N 295.313 3.543 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1cc2ccccc2o1 811667079 OGVNVXOLWCZZGH-AWEZNQCLSA-N 294.354 3.824 30 20 CHED CC[C@H](O)CNN=Cc1ccc(-c2cc(C)cc(C)c2)cc1 811654042 LWXWTJOCUIRHLO-IBGZPJMESA-N 296.414 3.665 30 20 CHED CCc1oc2ccccc2c1C=NOCc1cc(C)on1 727490858 SXJBLSBYSCDHCK-UHFFFAOYSA-N 284.315 3.842 30 20 CHED CC[C@]1(C/N=C\c2ccccc2O)OCCc2ccccc21 811624995 ZZLIUTMUSHNSGF-PQDCBLBRSA-N 295.382 3.689 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC[C@@H]1C(C)C 570248213 NHMIIYREDAROKD-MRXNPFEDSA-N 296.418 3.756 30 20 CHED C#CCCCOC(=O)CCSc1ccc(Cl)cc1 727040560 JWDSKUBTKKRGOH-UHFFFAOYSA-N 282.792 3.779 30 20 CHED Cc1nc(NC(=O)C#CC(C)C)sc1Cc1ccccc1 822654478 KSYSWIMMQTVJOK-UHFFFAOYSA-N 298.411 3.640 30 20 CHED C=CCCN[C@H](C)c1cc(Cl)c(OC)cc1OC 658117542 WJLNELHBKCWQLD-SNVBAGLBSA-N 269.772 3.584 30 20 CHED C=C(C)C(C)(C)C(=O)OCCCCC(=O)OC(C)(C)C 821448169 QEPZTYCPCLIWAF-UHFFFAOYSA-N 284.396 3.644 30 20 CHED C#Cc1ccc(C(=O)N(c2cc(C)ccc2C)C(C)C)cn1 728821741 OGGMUQVPXOVDEN-UHFFFAOYSA-N 292.382 3.735 30 20 CHED CN(C(=O)NCC1(C#N)CC1)C1CCC(C(C)(C)C)CC1 574826224 MZYVUOVUDIBTRH-UHFFFAOYSA-N 291.439 3.536 30 20 CHED CC/C=C(/C)C(=O)N(CCC#N)CC(CC)CC 729433354 PXGYRINATZDFGB-LCYFTJDESA-N 250.386 3.521 30 20 CHED C#Cc1cccc(N(C)C(=O)CCCC(C)(C)C)c1 728824547 HSNSFSQWNYZNDO-UHFFFAOYSA-N 257.377 3.847 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1C[C@H](CC)CC[C@H]1C 669303064 XMOMPYMJXYUCPI-ZIAGYGMSSA-N 288.439 3.747 30 20 CHED Cc1cc(C)cc(C=NNCCCc2ccccc2)c1 729146472 YWRCGXOZGLWFCQ-UHFFFAOYSA-N 266.388 3.860 30 20 CHED COc1cc(NC[C@@H](O)CC(C)(C)C#N)cc2ccccc12 905637139 UCVWMYWSQXKIBS-HNNXBMFYSA-N 298.386 3.561 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1OC(C)C 580690846 SFIGBJXUNDIGLE-UHFFFAOYSA-N 286.375 3.661 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2coc3ccccc23)c1 733599755 ONQBDEIBIOFVAB-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CC[C@H](N[C@@H](C)c1cnn(CC)c1)c1cccc(C#N)c1 903011412 DZSSNXVROXFRBT-GUYCJALGSA-N 282.391 3.577 30 20 CHED CCCC(=NNc1cc(C)nc(C)n1)C1CCCC1 834941568 ZWVRRRYJJAKTOK-UHFFFAOYSA-N 260.385 3.852 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2ncc(F)cc2F)CS1 835023507 JKJNDAAOSOMPCO-NSHDSACASA-N 285.363 3.679 30 20 CHED C=CC(C)(C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 835201159 UBRYDYPOUUOAMU-SNVBAGLBSA-N 262.378 3.655 30 20 CHED N#CC1(CCCCOC(=O)CC2CCSCC2)CCC1 909076659 UHDAYSZFCWSDNC-UHFFFAOYSA-N 295.448 3.927 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2CCc3ccc(C)cc32)c1 730147039 JXWFTVZDMBFTNL-WAKXPGHKSA-N 281.355 3.816 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)CCCCCC#N 588147465 NWNNLTPCXNCMLD-CQSZACIVSA-N 258.365 3.680 30 20 CHED CC1(C)Cc2cccc(C=Nn3cnc4ccccc43)c2O1 737428389 ZHEDOTXDNLCRQL-UHFFFAOYSA-N 291.354 3.632 30 20 CHED C#CCN(C(=S)Nc1ccc(OC(C)C)cc1)C(C)C 905651502 FXZCCCZCYKKCRH-UHFFFAOYSA-N 290.432 3.514 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)O)c1C 833371042 VDJUIIDRLXRXLX-NSHDSACASA-N 295.404 3.600 30 20 CHED C#CCN(C(=O)CCSCCCC)C1CCCCC1 739535717 CWMDILPRXIBXPH-UHFFFAOYSA-N 281.465 3.704 30 20 CHED Cc1nsc(N2Cc3ccccc3C(C)(C)C2)c1C#N 583516570 DMSBZMZCCYTIMU-UHFFFAOYSA-N 283.400 3.621 30 20 CHED C=C(CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 672482314 FBAXJKQQOKOTBV-XIRDDKMYSA-N 269.388 3.642 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ccc(C#N)cc21 589343306 MJXFWPIKPDUGDG-WOJBJXKFSA-N 299.377 3.694 30 20 CHED Cc1cccc(C)c1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839451611 ZFESVQKPEVRIHN-UONOGXRCSA-N 257.333 3.543 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)OC[C@@H](C#N)Cc1cccs1 835260643 JGUWWLMSCKFIGC-IOASZLSFSA-N 291.416 3.800 30 20 CHED C#CCCCCCC(=O)N(C)[C@H](C)Cc1cccc(F)c1 838217940 LBCBKVSJVDMOTG-OAHLLOKOSA-N 289.394 3.799 30 20 CHED COc1cc(C=NOCCSC)cc2ccccc12 834976328 XIKXYLFZIOPBQZ-UHFFFAOYSA-N 275.373 3.562 30 20 CHED CCCc1nc(C)c(C(=O)O[C@H]2CCC[C@H](C#N)C2)s1 839048720 NYUICUQFESLMJK-RYUDHWBXSA-N 292.404 3.643 30 20 CHED COCC#CCN(C1CC1)[C@@H](C)c1ccccc1Cl 677478337 VNZNXYGYAITNRK-ZDUSSCGKSA-N 277.795 3.515 30 20 CHED C#CCCCN[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 830259121 XYDMBFFCTDKOSU-AWEZNQCLSA-N 298.283 3.913 30 20 CHED CC(=NNc1nc2ccccc2n1C)C1CCCCC1 915967433 IHSUKRBDKBDSAH-UHFFFAOYSA-N 270.380 3.941 30 20 CHED CC#CCCCC(=O)O[C@H](C)CCCc1cccnc1 835934603 MSOIZXBERFLIIC-OAHLLOKOSA-N 273.376 3.530 30 20 CHED N#C[C@H]1CC[C@@H](Sc2ccc(-c3ccco3)nn2)C1 593440671 BFSDNJIMIIYYRC-WDEREUQCSA-N 271.345 3.521 30 20 CHED Cc1nn(C)c(Cl)c1/C=C\C(=O)c1c[nH]c2ccccc12 915271248 PZVFZUDNEMMWJJ-FPLPWBNLSA-N 299.761 3.759 30 20 CHED Cn1ccc(C/N=C\c2cc(Cl)cc(Cl)c2O)c1 748286105 QAAXDTUHXAGZGU-APSNUPSMSA-N 283.158 3.657 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCC(=O)c2ccccc2)C1 912389187 QQJDAWKLDANZMN-INIZCTEOSA-N 299.414 3.854 30 20 CHED Cc1cc(-c2ccc(F)c(CN(C)C)c2)ccc1CC#N 596646346 JTBMLMPKJWLUNE-UHFFFAOYSA-N 282.362 3.929 30 20 CHED CCCC[C@H](C(=O)N(C)Cc1cccc(C#N)c1)C(C)C 598660347 TXYYVRKYAYZJQY-KRWDZBQOSA-N 286.419 3.979 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCCC[C@@H]1c1ccc(C)o1 593482419 YTSNIXPEURBNEE-UONOGXRCSA-N 274.364 3.582 30 20 CHED C=C[C@H](C)ONC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 846544324 QIAOIZAAJAJWJK-NSHDSACASA-N 286.375 3.701 30 20 CHED CC[C@H](C#N)C(=O)N(CC(C)C)c1ccc(Cl)cc1 593529179 YPGBZJQQJQSDBY-GFCCVEGCSA-N 278.783 3.879 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@@H](C)CCC=C(C)C 594082941 FSBVMTDKLIODBI-UONOGXRCSA-N 250.386 3.520 30 20 CHED C=C[C@@H](C)ON=Cc1ccc(N2CCCCC2)s1 844625646 SJWUDGBJVVNWAW-GFCCVEGCSA-N 264.394 3.663 30 20 CHED C[C@@H](SCCc1ccc(C#N)cc1)c1cccnc1 596364814 SWOVPYGLOBGIPC-CYBMUJFWSA-N 268.385 3.990 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1[C@@H](C)CCC1(C)C 594043116 GEYAMZMAOQAALJ-KBPBESRZSA-N 284.403 3.526 30 20 CHED CCC#C[C@H](C)N[C@H](C)c1ccccc1OC(F)F 678738177 ZIDPXMOUABGPLM-NWDGAFQWSA-N 267.319 3.741 30 20 CHED COCCOc1cccc(-c2cccc(C3(C#N)CC3)c2)c1 592984652 POUVYUQFMHMJIS-UHFFFAOYSA-N 293.366 3.934 30 20 CHED Cc1sc(NC(=O)/C=C\C2CCCC2)c(C#N)c1C 843517730 QMHQSKPYVCTQIU-FPLPWBNLSA-N 274.389 3.922 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 597375608 PYKRBUIRHJMGIQ-KGLIPLIRSA-N 262.397 3.545 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CCSc2ccccc21)c1ccccn1 744026027 RKCJTHAJQRZVLT-ZIAGYGMSSA-N 294.379 3.537 30 20 CHED C=CCOC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 744042626 XAYYJYKECZLJRU-UHFFFAOYSA-N 283.249 3.540 30 20 CHED COc1cc(CN2CCC[C@](C)(C#N)C2)cc2ccccc12 590649082 QDYTVRKZLLOWNX-LJQANCHMSA-N 294.398 3.974 30 20 CHED C[C@@H]1CN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC(C)(C)C1 594337030 DNRNJMHNTJALHA-LSDHHAIUSA-N 298.430 3.631 30 20 CHED CCOc1cccc(/C=N\Cc2cccc(F)c2)c1O 914773804 XVACVQQSXGRXLC-WQRHYEAKSA-N 273.307 3.549 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 595056759 VYMCWFYGRHXBCO-CVEARBPZSA-N 278.399 3.883 30 20 CHED CC(C)OCc1cccc(-c2ccc(C#N)nc2)c1 592985459 HZMOOVKCIZOSFR-UHFFFAOYSA-N 252.317 3.545 30 20 CHED CC(C)CC1(C(=O)Nc2nc(Cl)c(C#N)s2)CCC1 841223701 BPZLJVFAKVTQSZ-UHFFFAOYSA-N 297.811 3.823 30 20 CHED C#CCN(Cc1csc(CC)n1)[C@@H]1CCc2ccccc21 917117981 YHYHKIABYSDTEY-QGZVFWFLSA-N 296.439 3.828 30 20 CHED CC[C@H](C)[C@H](C(=O)N(C)[C@H](C#N)CC)c1ccccc1 594098326 ULTTVYGXWZTMCP-BPUTZDHNSA-N 272.392 3.577 30 20 CHED C=C[C@@H](C)ON=C[C@H](CC1CCC1)NC(=O)OC(C)(C)C 844621171 VIQABOUZHOHGPK-OCCSQVGLSA-N 296.411 3.647 30 20 CHED CN(C[C@@H]1CC1(C)C)C(=O)C[C@H](CC#N)c1ccccc1 598551164 RKKAPUKWYVDBLO-HOTGVXAUSA-N 284.403 3.578 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@H]3c3ccc(N(C)C)cc3)n2)C1 924122674 RCIRIQBHKKLOFT-JKSUJKDBSA-N 295.386 3.840 30 20 CHED C=C(C)COc1cccc(NC(=S)NC2(C)CCC2)c1 840726882 VZYGDFDPYRZDJD-UHFFFAOYSA-N 290.432 3.871 30 20 CHED Cc1ccc([C@@H](C)N[C@H](C)CC(C)(C)C#N)cc1[N+](=O)[O-] 925491243 DRVORVBDQHIABE-CHWSQXEVSA-N 289.379 3.882 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1nn(-c2ccccc2)cc1C 684928692 RWQORIQEFCTTLI-CQSZACIVSA-N 298.390 3.657 30 20 CHED C#Cc1cccc(NC(=S)N(CC)C[C@@H](C)CC)c1 748601975 OMCLSCMOSHQJES-ZDUSSCGKSA-N 274.433 3.733 30 20 CHED C[C@@H](C(=O)O[C@H](C)C(C)(C)C#N)c1ccc(Cl)cc1 845497045 SWQLJAUEOHVGRI-GHMZBOCLSA-N 279.767 3.925 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccc(O)c(F)c1 755584720 NSLRJLYWZVIGHZ-QPJJXVBHSA-N 286.302 3.744 30 20 CHED COc1cc(OC(=O)OCC2CCCCC2)ccc1C#N 859134821 HBXCTBBBRWVTDJ-UHFFFAOYSA-N 289.331 3.663 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)C1CC(F)(F)C1 851141574 BGMSJKUCYJUDSQ-CMPLNLGQSA-N 258.308 3.710 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CSc1ccc(F)cc1 851214600 STZSYBKHJLSQLF-LLVKDONJSA-N 295.379 3.789 30 20 CHED CSc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(C)o1 851083380 ITYOIENZLLUBOP-QWRGUYRKSA-N 279.361 3.549 30 20 CHED C=CCc1cc(CN(C)CCC(C)C)c(O)c(OC)c1 754723321 OPWYWRWEZWHTJS-UHFFFAOYSA-N 277.408 3.607 30 20 CHED CC[C@@H](C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 759349703 QNKMBGIRKZSSGP-QGZVFWFLSA-N 297.329 3.934 30 20 CHED Fc1cccc(NN=Cc2ccc(OC(F)F)cc2)c1 920383098 AIDQFCHBOCTLKN-UHFFFAOYSA-N 280.249 3.873 30 20 CHED COc1ccc(C=NNc2cc(F)cc(F)c2)cc1C 920374723 JPQMTEWKEPCULT-UHFFFAOYSA-N 276.286 3.728 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCNc1cccc(F)c1 926143515 RBJPZUHAUNUFBS-CYBMUJFWSA-N 277.387 3.546 30 20 CHED C=CCC1(NCC2(Br)CC2)CCCCC1 859745657 QUNMURAVHGKFKP-UHFFFAOYSA-N 272.230 3.783 30 20 CHED CCCCCC[C@@H](C)NN=C(C)C[C@@H]1CCOC1 751530396 XJCPHBWBWKYJCE-HIFRSBDPSA-N 254.418 3.737 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)Cc1csc(C)n1 851142538 SPTFTUSFJUDNCZ-GXTWGEPZSA-N 279.405 3.672 30 20 CHED C=CC[C@H]1CCCCC1=NNc1nc(C)cc(C)n1 853254543 WWLVQSOVRAMSRI-ZDUSSCGKSA-N 258.369 3.628 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)OCC1(CC#N)CC1 756567863 PAWPPLXAYMAMRO-BENRWUELSA-N 289.762 3.980 30 20 CHED N#Cc1cc(COC(=O)c2ccc3[nH]ccc3c2)ccc1F 758943772 CVWQXWLGJMEEJU-UHFFFAOYSA-N 294.285 3.536 30 20 CHED CC(C)(C=NNCCCc1ccccc1)CCC#N 755696659 SRVGKLGEBUBNGF-UHFFFAOYSA-N 257.381 3.525 30 20 CHED CC(C)c1ncsc1C(=O)O[C@H](C)CC(C)(C)C#N 851204693 CHFULIQNJQNFNU-SNVBAGLBSA-N 280.393 3.752 30 20 CHED FC(F)CON=Cc1cc(Br)ccc1Cl 758906184 BULUOENTJUBQKB-UHFFFAOYSA-N 298.514 3.718 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)OCCCC#N 753560910 JSCGDKLLPUVLDL-KBPBESRZSA-N 271.360 3.823 30 20 CHED C[C@@H]1CN(Cc2ccc(O[C@@H](C)C#N)cc2)CC(C)(C)C1 753575570 LAXZTLVWLXCPAE-GJZGRUSLSA-N 286.419 3.845 30 20 CHED CCc1ccc(/C=C/C(=O)c2cc(O)ccc2O)s1 757468796 XRCLJIRSJZDMMF-SOFGYWHQSA-N 274.341 3.618 30 20 CHED C#CC[C@@H](NC(=O)N[C@@H](CC)CCC)c1ccccc1 757017474 JPVJEVOMPLNAIZ-JKSUJKDBSA-N 272.392 3.629 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C=C\c1ccccc1C(F)(F)F 865078908 XHDHYBDJVNOODN-CKXPSTMWSA-N 296.292 3.527 30 20 CHED Cc1cc(NC(=O)N2CCC[C@@H](C#N)C2)c2ccccc2c1 931598785 YUERFVDNROKACL-AWEZNQCLSA-N 293.370 3.916 30 20 CHED C#CCN(C(=O)N[C@@H](CC)c1cccc(Cl)c1)C1CC1 764676697 CYWQALPLDPWNQZ-HNNXBMFYSA-N 290.794 3.598 30 20 CHED CC(=NNc1ccnc(Br)c1)C1CCCC1 769799959 ADDZSMYDFIALFB-UHFFFAOYSA-N 282.185 3.822 30 20 CHED C#CCCCN[C@@H](c1cccc(Cl)c1)c1ccccn1 766922180 KDLKKOWAJVIOBU-KRWDZBQOSA-N 284.790 3.827 30 20 CHED C=CCN(C(=O)c1ccsc1C(F)F)C(C)C 931925141 NAKDEKRKVTVYEQ-UHFFFAOYSA-N 259.321 3.722 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1ccc(F)cn1 769830528 PZNNHYRBEQYKJF-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=CCn1c(SCCC(F)=C(F)F)nnc1C1CC1 863239154 BITVYQRGKJXONJ-UHFFFAOYSA-N 289.326 3.901 30 20 CHED C#CCOc1cccc([C@@H](C)OC(=O)C(C#N)(CC)CC)c1 860534159 RBSNBWUIRVWQKT-CQSZACIVSA-N 299.370 3.633 30 20 CHED Cc1cc(OC(=O)Cc2cccc(Cl)c2)ccc1C#N 765119035 ZYXSKBTUBOAHBD-UHFFFAOYSA-N 285.730 3.668 30 20 CHED Cc1cc(C=NNCCc2ccccc2F)c(C)n1C1CC1 764721703 GSWQRWOHKCRNOM-UHFFFAOYSA-N 299.393 3.745 30 20 CHED C#CCN(C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1)C1CC1 764737449 BJYFEZIBWHJKDO-HNNXBMFYSA-N 298.430 3.548 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc(Cl)c(C)c2)ccc1O 760266154 SIEYXRBFPFMEAA-HWKANZROSA-N 287.746 3.954 30 20 CHED C[C@@H](C(=O)Oc1ccc(C#N)cc1)c1ccc(F)c(F)c1 1116122568 AGSRTPWJWLLKOD-SNVBAGLBSA-N 287.265 3.546 30 20 CHED CSC1(C=NNc2nc3c(C)cccc3s2)CC1 872419837 XFKJHTDSEOMGKH-UHFFFAOYSA-N 277.418 3.898 30 20 CHED Cc1cc(CN[C@H](C)COc2ccccc2F)ccc1C#N 1116800946 NAFJQSSTEHEENJ-CQSZACIVSA-N 298.361 3.563 30 20 CHED C#CCCOc1ccc(-c2nnc(CC(C)(C)C)o2)cc1 1118430844 XGPHHAYQNGQGCX-UHFFFAOYSA-N 284.359 3.727 30 20 CHED C=CCCCOC(=O)c1ccc(-c2csc(N)n2)cc1 775884361 ITHWXZPUKLVIRL-UHFFFAOYSA-N 288.372 3.515 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(OCCC)c(Cl)c1 770246208 QPXDFPHJRXUINW-NSHDSACASA-N 294.782 3.614 30 20 CHED Cc1cc(C#N)ccc1COc1cnc(Cl)cc1C 776745021 AYUXGEBFGUZWBI-UHFFFAOYSA-N 272.735 3.803 30 20 CHED C/C=C(/C)C(=O)N1CCCSC1=Nc1ccccc1 770448010 SGRDHONPKDVUME-HNPXHPSNSA-N 274.389 3.606 30 20 CHED C#CCCCCC(=O)O[C@H](C)C(=O)c1ccc(C)c(C)c1 773649022 RBUDBUWLRUSSLG-OAHLLOKOSA-N 286.371 3.611 30 20 CHED C#CCCCCCC(=O)O[C@H]1CCc2ccc(F)cc21 779970564 IJZRYQXUSJQPJN-INIZCTEOSA-N 274.335 3.940 30 20 CHED COc1cc(C)c(N[C@@H](C#N)Cc2ccccc2)cc1F 773959005 FGLSMNYETGZGGQ-CQSZACIVSA-N 284.334 3.690 30 20 CHED C#CCCCCCOC(=O)CCc1c[nH]c2ccccc12 779454450 QMUYZXFDWPTOHX-UHFFFAOYSA-N 283.371 3.837 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NCc1cccc(OCC#N)c1 1116466996 PEGZLSNTJUVSPV-YOEHRIQHSA-N 286.419 3.893 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@H](C)c1ccccc1 773136867 ZSTJZAUQMAGWPJ-CYBMUJFWSA-N 297.329 3.580 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1ccc(F)cc1F 878081030 YTMONHCRVYJDEY-UHFFFAOYSA-N 267.319 3.526 30 20 CHED Cc1ccc(Cl)c(OC(=O)c2cccc(F)c2C#N)c1 777413017 BCJWLUAMSQDANZ-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C=CCCOCCCCC(=O)NCc1c(C)cccc1C 775780792 QFHGZPUFUNZPNY-UHFFFAOYSA-N 289.419 3.683 30 20 CHED C#CCCCCc1nc([C@@H](OCC)c2ccccc2)no1 771732670 ZQDIPQGRIQGLJO-INIZCTEOSA-N 284.359 3.542 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1OCC 779714941 HKSKMOBFBCJCAX-UHFFFAOYSA-N 259.349 3.608 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CCC=C)c2ccccc2)cn1 772170601 VYIORXFTXQRSQY-GOSISDBHSA-N 290.366 3.500 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H](C)c1ccccc1 775111499 BQGPRPHYUFRFMP-ZDUSSCGKSA-N 283.327 3.564 30 20 CHED CC[C@H]1CCCCC1=NNc1cc(Cl)nc(C)n1 779772036 LWEYPRIEIMSHCD-JTQLQIEISA-N 266.776 3.807 30 20 CHED C=CC[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccncc1 777671472 VOYWKYACENTMPM-ZBFHGGJFSA-N 270.376 3.561 30 20 CHED CCCOc1cccc(C(=O)OCCCC(C)(C)C#N)c1 783028540 ZYSSRCKTISETPU-UHFFFAOYSA-N 289.375 3.962 30 20 CHED CCC(=NOCCOC)c1cccc2ccccc12 780231004 YFWYACQYBNWKDL-UHFFFAOYSA-N 257.333 3.617 30 20 CHED COc1ccc2nc(C=NOCc3ccccc3)sc2c1 788710413 YKXMCOKGLBTUSE-UHFFFAOYSA-N 298.367 3.856 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1nccnc1C 783510147 WMUMBCADLRTYJL-UHFFFAOYSA-N 295.173 3.928 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1CSc2ccccc21 783724854 JQRNNAUQXDBXSR-CYBMUJFWSA-N 289.400 3.749 30 20 CHED C=CCCN(C[C@@H]1CC[C@H](C)O1)OCc1ccccc1 789424120 VBDMPQNZZWELGV-RDJZCZTQSA-N 275.392 3.564 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccc(Cl)s1 782444077 UNPORSXUHLQKPL-ZDUSSCGKSA-N 288.796 3.674 30 20 CHED CC(C)C1CCC(=NN[C@@H](CO)c2ccccc2)CC1 788459079 BSUXGCASPOLRJJ-JRZJBTRGSA-N 274.408 3.512 30 20 CHED C[C@@H](C#N)CNCc1cccc(COc2ccccc2)c1 893544158 JUTVSDXWRVMBON-HNNXBMFYSA-N 280.371 3.515 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc(-n2cccc2)c1 782541938 OXDAHPJWMQBDES-UHFFFAOYSA-N 296.370 3.964 30 20 CHED CCN(Cc1ccc(C2CCC2)cc1)C[C@H](C)C#N 507583009 NYBDNNSSPLMRRM-CQSZACIVSA-N 256.393 3.936 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1cccc(Cl)c1F 780213574 JAYPBGQKMFPIMZ-UHFFFAOYSA-N 290.725 3.947 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1ccc(N(C)C)cc1 899343379 VDSUITUXOCYEOU-KHPPLWFESA-N 284.359 3.508 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1CCCc2ccccc21 782657475 CYZIYSJWVNQZPJ-INIZCTEOSA-N 285.387 3.980 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)c1cc2occc2[nH]1 786033526 KYIARFQIALIXIN-UHFFFAOYSA-N 299.713 3.623 30 20 CHED C=C[C@@](C)(CC)C(=O)OC[C@H]1CCC2(CCCC2)O1 784877006 FHLSRRVQTFDCAW-HIFRSBDPSA-N 266.381 3.624 30 20 CHED C1CCC(NN=C2CCC3(CCOCC3)CC2)CC1 786042305 QGHSYMNBWZXJSQ-UHFFFAOYSA-N 264.413 3.636 30 20 CHED C=C[C@H](CC)CC(=O)Nc1onc(C(F)(F)F)c1CC 898034158 JRRLATHELHOCFD-MRVPVSSYSA-N 290.285 3.797 30 20 CHED CCC(CC)NN=CC1(CCOC)CCCCC1 780228137 WNAAZVHULCJUAT-UHFFFAOYSA-N 254.418 3.737 30 20 CHED CCc1onc(C)c1/C=C1\COc2c(C)cccc2C1=O 899348507 AVTJHYNXHNXKOD-XYOKQWHBSA-N 283.327 3.513 30 20 CHED N#Cc1nccnc1Sc1nc(-c2ccccc2)cs1 301146723 BDHYYAJCYJUFDJ-UHFFFAOYSA-N 296.380 3.623 30 20 CHED C=CCNN=Cc1cccc(OCc2ccccc2F)c1 794997881 AGJHVDOVJUNVOZ-UHFFFAOYSA-N 284.334 3.514 30 20 CHED C#Cc1cccc(N(C)C(=O)CC2=CCCCC2)c1 106650915 PVQQCZFWRZRTTD-UHFFFAOYSA-N 253.345 3.521 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCc1cccs1 187524336 SEIZBPRGHVVAOR-UHFFFAOYSA-N 278.421 3.612 30 20 CHED CC1(CNN=Cc2ccsc2Cl)CCCC1 793080463 AOCZHTIYGJITLG-UHFFFAOYSA-N 256.802 3.905 30 20 CHED COCCN(C)N=C(CC(C)C)c1ccc(Cl)cc1 794963345 QTUIMCLBWMPQIP-UHFFFAOYSA-N 282.815 3.668 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 796464061 YSHPFUBODUHUNM-UHFFFAOYSA-N 297.738 3.894 30 20 CHED CC(C)(CCNC(=O)Nc1ccc(F)cc1C#N)C1CC1 1201432369 KPQMEGMAVHNMPY-UHFFFAOYSA-N 289.354 3.645 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1C[C@H]1CC(C)(C)C 1136680502 KWGZMSSTONAICA-LSDHHAIUSA-N 278.440 3.847 30 20 CHED CCc1cc(C#N)ccc1OCc1cccc2nsnc12 799588118 OQFNMPCFYAJMQL-UHFFFAOYSA-N 295.367 3.704 30 20 CHED Clc1ccnc(NN=Cc2ccc3occc3c2)c1 794927725 PSFWKFYOTFUJEU-UHFFFAOYSA-N 271.707 3.927 30 20 CHED CC(C)O[C@@H](CSCCO[C@@H](C)C#N)c1ccccc1 793965441 KCCILNWFROAEHT-HOCLYGCPSA-N 293.432 3.815 30 20 CHED C=CCCOCCN[C@@H](C)c1ccccc1SC 194938557 SMIUAJVIFSAXGN-ZDUSSCGKSA-N 265.422 3.652 30 20 CHED C[C@H](NC(=O)NCC1(C#N)CC1)c1csc2ccccc12 797450859 XARXEFOKLVXIFT-NSHDSACASA-N 299.399 3.565 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(Br)cn1 570791461 UUWDHMAUSWPGNB-SNVBAGLBSA-N 283.213 3.707 30 20 CHED CSCCON=C(C)c1cccc(C(F)(F)F)c1 794575165 XUZXNZSVGAVDRP-UHFFFAOYSA-N 277.311 3.809 30 20 CHED CSCCON=C(C)c1ccc(OC(F)(F)F)cc1 794573775 JRCJPZHMDFIOKL-UHFFFAOYSA-N 293.310 3.689 30 20 CHED C=CC[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 661378246 BCCFYLKOLUHYRV-CYBMUJFWSA-N 272.348 3.723 30 20 CHED C=C(Cl)COC(=O)c1ccc(C)cc1Br 754970145 AJIXHZRIHUNTRJ-UHFFFAOYSA-N 289.556 3.667 30 20 CHED C=CCCCOC(=O)CCCOc1cccc(C)c1 735524785 XBFMNUNZBMIPJK-UHFFFAOYSA-N 262.349 3.663 30 20 CHED Cc1nc(N[C@H]2CCC[C@@H](F)C2)c(Cl)cc1C#N 591956177 VWVRSSILPNPPTG-MNOVXSKESA-N 267.735 3.608 30 20 CHED Cc1cc(C=NNc2ccc(C(C)(C)C)nn2)cc(C)c1O 1318579970 IFMBEMACBSKMBL-UHFFFAOYSA-N 298.390 3.543 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)NCCCCC#N 1318506858 GTQSGNLLFQSZCV-OWCLPIDISA-N 293.455 3.688 30 20 CHED CC(C)(C)ON=Cc1ccc(OCC(F)(F)F)c(F)c1 1320430436 UJWIKZSAAKEUIH-UHFFFAOYSA-N 293.260 3.916 30 20 CHED CC[C@H](C)[C@@H](C)c1nnc(COc2ccccc2C#N)o1 1325754285 XTKATFLLTYAXOJ-NWDGAFQWSA-N 285.347 3.670 30 20 CHED C=C(CC)COC(=O)C1(c2ccccc2OC)CCC1 1320022615 PANDCNWHMCNTJE-UHFFFAOYSA-N 274.360 3.626 30 20 CHED C[C@H](c1ccsc1)c1nnc(-c2cccc(C#N)c2)o1 1322343253 RAPKWOFCHRPLRU-SNVBAGLBSA-N 281.340 3.822 30 20 CHED Cc1ccc(CC2CCN(c3ccc(C#N)nc3)CC2)cc1 1325171531 UPIBTLNUCNJFIJ-UHFFFAOYSA-N 291.398 3.721 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(OCC(C)C)cc1 1320427927 NRAJDFGUYQCMOT-HOCLYGCPSA-N 277.408 3.573 30 20 CHED N#Cc1cc(C(=O)OC[C@H]2CCCCC2(F)F)cs1 1324701896 GIQIYDAASMTATG-SNVBAGLBSA-N 285.315 3.602 30 20 CHED C=C[C@@H](COC)N[C@H]1CCCc2ccc(Cl)cc21 1255019629 RVADEUXCJGWLLO-ZFWWWQNUSA-N 265.784 3.508 30 20 CHED Cc1ccc2oc(C(=O)N[C@@H](C#N)C3CCCC3)cc2c1 1333697857 JTQLQBDHCXCVNN-AWEZNQCLSA-N 282.343 3.553 30 20 CHED C=CCCCCCN(C)C(=O)c1nc(C2CC2)cs1 1346496276 LJRDQHZFLAZMLU-UHFFFAOYSA-N 278.421 3.839 30 20 CHED CCn1c([C@H](C)CCC#N)nnc1N(C)c1cccc(C)c1 1341268905 FCZUWGPLEHYYOO-CQSZACIVSA-N 297.406 3.782 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C2CCCC2)c(Cl)c1C 1262188376 PDAGCCSIVYSBFD-AWEZNQCLSA-N 290.794 3.769 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(OC)ccc1F 1345249720 IJLXKFJQNNZZHO-LBPRGKRZSA-N 292.354 3.797 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 1197550432 ULCSKZFUCONFMD-GJZGRUSLSA-N 285.391 3.896 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccc(C#N)o1 1264852399 WYDVUXQTBMZPTK-NFAWXSAZSA-N 288.391 3.589 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 1346115859 NPJPNVGFYMIARU-ZDUSSCGKSA-N 286.400 3.926 30 20 CHED C=CC(C)(C)CNC(=O)c1c(C)oc2ccc(OC)cc12 1344507654 VVRCNSUDMCQVFO-UHFFFAOYSA-N 287.359 3.692 30 20 CHED CCCCCC[C@H](C)C(=O)[C@@H](C#N)c1nccn1CC 1347338076 OSQSMNZLZKTJGS-UONOGXRCSA-N 275.396 3.686 30 20 CHED CCC(CC)CN(CC)Cc1cccc(C#N)c1F 221981272 CYXSQWSADGDQGE-UHFFFAOYSA-N 262.372 3.955 30 20 CHED CCOc1c(F)cccc1C(=O)Nc1cc(C)cc(C#N)c1 1528387174 QBHIIGLBHAJKAP-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)cc1F)C1CCCCC1 1527522542 NYZSYXKYYLWRQL-INIZCTEOSA-N 288.366 3.786 30 20 CHED C=C(CC)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1520078358 BYOFOUFBFVNBCG-BBRMVZONSA-N 270.376 3.580 30 20 CHED CCC[C@H](CC)C(=O)Nc1cc(C#N)ccc1NC1CC1 1296944442 VTEQRIGQBCCQNP-ZDUSSCGKSA-N 285.391 3.897 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1cc(C#N)ccc1F 1525019043 OGSVXOZRAJYNRV-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccccc1F 1529374360 WBSQCZCRETVWFM-LBPRGKRZSA-N 282.318 3.531 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)c2ccc(C#N)o2)CC(C)(C)C1 1524775805 PLARZCJTEDWIMC-CHWSQXEVSA-N 288.391 3.734 30 20 CHED CCc1cccc(N(C)Cc2ccc(C#N)cc2F)c1 1462309362 KBPJBYAHVBGHFR-UHFFFAOYSA-N 268.335 3.896 30 20 CHED C=CCC[C@H](N[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1 1602857211 NQWITHHTTYWIJM-PMPSAXMXSA-N 273.376 3.537 30 20 CHED Cc1cc(C)c(C(=O)O)cc1NCc1ccc(C#N)c(F)c1 1607617979 OAAZLXQAMJEVPB-UHFFFAOYSA-N 298.317 3.625 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2cscc2Cl)c1 1602549868 FDGNRVGTWRJFLX-OWOJBTEDSA-N 282.704 3.589 30 20 CHED CCCC[C@@H](C)N(C)c1nc(C#N)c(Cl)s1 1559205203 JMKUYSFGNSLADI-MRVPVSSYSA-N 257.790 3.683 30 20 CHED CCCC[C@H](NC[C@@H](O)c1cccc(C#N)c1)C1CCC1 1645234694 NPGLRSNQGWQPMR-ZWKOTPCHSA-N 286.419 3.540 30 20 CHED C=CC[C@@H](C(=O)O)N1CCCc2cc(C(C)(C)C)ccc21 1573351129 PSBUTHWCSOEMDF-INIZCTEOSA-N 287.403 3.766 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1nc(C#N)c(Cl)s1 1650663920 JQOPACYBRILCGW-QMMMGPOBSA-N 295.770 3.850 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)cc1C#N 1587283308 QKKAIIFBRIHHDP-SWLSCSKDSA-N 276.767 3.832 30 20 CHED Cc1cc(N2CCc3c(cccc3C(C)C)C2)c(C#N)cn1 1651034983 UMUDUMZAKRTFRS-UHFFFAOYSA-N 291.398 3.948 30 20 CHED C[C@H]1CCN(C)c2ccccc2N1Cc1ccc(C#N)s1 1657574284 NCMLSPQOSXJECT-ZDUSSCGKSA-N 297.427 3.855 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc3c(F)cccc3[nH]2)c1 1587331133 YORMZUDYFYYLKH-UHFFFAOYSA-N 297.264 3.570 30 20 CHED CC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C#N)c1 1587283732 UUUDHCFPWUMQEK-UHFFFAOYSA-N 298.729 3.667 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(F)cc1 1665716618 IUALQZZPESJCGN-LBPRGKRZSA-N 297.333 3.922 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(C(=O)O)cs1 1595111552 LIBCHGLPLWGFFW-UHFFFAOYSA-N 294.420 3.598 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 1668716323 NXDJKDGMXRTWKN-HBYGRHMLSA-N 289.354 3.644 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)C12CCC(CC1)C2 1776076917 LTUXNEPYXOUXRD-UHFFFAOYSA-N 290.338 3.892 30 20 CHED C=CCC[C@H](C)N1CCC(CC(C)C)(C(=O)O)CC1 1776166241 QSRPOCZMAOIEAY-AWEZNQCLSA-N 267.413 3.554 30 20 CHED Cc1cccc2c1C/C(=C/c1cc(C(=O)O)ccc1F)C2=O 1777455956 QYEAJVQBFDVOGM-JYRVWZFOSA-N 296.297 3.655 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(F)c(C(=O)O)c1 1777465300 LFDBTOZBVJHWMW-VQHVLOKHSA-N 284.286 3.728 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](C)c1cccc(C)c1 150838044 MLXNBZOVASDKCJ-HNNXBMFYSA-N 271.404 3.983 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@]1(C)CC 161698631 YUHHMHSMOIONEJ-SJLPKXTDSA-N 284.403 3.733 30 20 CHED CCC(=O)c1cccc(NCc2ccc(C#N)cc2OC)c1 158260957 ZWNMMMZBRNXPAO-UHFFFAOYSA-N 294.354 3.772 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cn1 160176032 DZFGVVFYBVCJLN-UHFFFAOYSA-N 279.343 3.523 30 20 CHED C=CCCCCCN(C)Cc1cnn(C)c1C(F)(F)F 151638130 TUFZOSDWPWMOBB-UHFFFAOYSA-N 289.345 3.617 30 20 CHED Cc1cccc(C(=O)/C=C/c2cnc3ccc(C)cn23)c1 151386642 XWZOWHVVFSBQJD-BQYQJAHWSA-N 276.339 3.847 30 20 CHED CC/C=C(/C)C(=O)N[C@H](CCC#N)c1ccccc1 153686945 NHMBSDPKWANJJT-JEMSNHSXSA-N 256.349 3.504 30 20 CHED N#Cc1ccc([C@@H](O)COc2ccc3c(c2)CCCC3)cc1 153803930 RJXHTENBSJHGOW-IBGZPJMESA-N 293.366 3.549 30 20 CHED CC#CCCSc1nnc(-c2cc(C)cc(C)c2)o1 155125978 VHWBVKSBVCNERK-UHFFFAOYSA-N 272.373 3.859 30 20 CHED N#Cc1cccc(CN[C@H]2CCCOc3ccccc32)c1 155485699 BWRWHXNSXRPPAA-KRWDZBQOSA-N 278.355 3.562 30 20 CHED CCN(C(=O)c1ccc(C)nc1)c1ccc(C#N)c(Cl)c1 156578186 JPOCCKPGGPABKB-UHFFFAOYSA-N 299.761 3.582 30 20 CHED CC(C)CCOc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1 159601441 WRXJIGIIXQAWSY-UHFFFAOYSA-N 297.358 3.564 30 20 CHED N#Cc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1 19885977 SWZCZSYLCIMCAV-UHFFFAOYSA-N 266.388 3.617 30 20 CHED CN(Cc1csc2ccccc12)CC1(C#N)CC1 259007922 XCSWXDUFKLJUMT-UHFFFAOYSA-N 256.374 3.637 30 20 CHED C#Cc1ccc(CNc2cnc3ccccc3c2)cc1 809639412 MFEQFSBNSDDEEP-UHFFFAOYSA-N 258.324 3.828 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(F)cc1C 167976647 MGWCDICHCMZMDU-UHFFFAOYSA-N 271.291 3.593 30 20 CHED N#Cc1ccc(NCc2ccccn2)c(C(F)(F)F)c1 36973644 RANFIIQWQXOMAQ-UHFFFAOYSA-N 277.249 3.584 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(C)c(C)c1 49668743 MXWFHUDFIMTDSS-UHFFFAOYSA-N 267.328 3.763 30 20 CHED C#CCCCCC(=O)Nc1cc(C)c(F)cc1Cl 288898533 RXPMJCQVHMFNIM-UHFFFAOYSA-N 267.731 3.920 30 20 CHED N#Cc1ccc(CNCc2ccc(F)c(Cl)c2)c(F)c1 53156883 FNUIBLQTRJNTBM-UHFFFAOYSA-N 292.716 3.780 30 20 CHED CCCCCCCc1nc(-c2cccc(N)c2)no1 59309069 HQCQUBZRCXRHFJ-UHFFFAOYSA-N 259.353 3.832 30 20 CHED CN(C(=O)c1csc(Cl)c1)c1cccc(C#N)c1 189184217 FNARUKFUKOBDAM-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CC(C)(C)c1ncc(CN2CCC(CCC#N)CC2)s1 566247168 BXDCOWNJWBDCHP-UHFFFAOYSA-N 291.464 3.956 30 20 CHED N#Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1F 308131984 YBLSVKQTPOQVJF-UHFFFAOYSA-N 288.709 3.532 30 20 CHED N#CCC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 334273137 YKOLIYJIBAXNSU-UHFFFAOYSA-N 297.185 3.759 30 20 CHED N#Cc1ccc(NCc2cnc3ccccc3c2)cc1 336826862 XGEOVQXZZKJACM-UHFFFAOYSA-N 259.312 3.719 30 20 CHED Cc1csc(CN[C@H](C)c2cccc(C#N)c2)c1 344609693 JHTFOWPRMBLATE-GFCCVEGCSA-N 256.374 3.779 30 20 CHED CCCCCCCNCc1cccc2c1OCCCO2 703724366 UXAIKTNJCIBSDN-UHFFFAOYSA-N 277.408 3.908 30 20 CHED COc1cccc(N[C@H](C)c2cccc(C#N)c2)c1F 689983464 VDTFCLQUKWWWGD-LLVKDONJSA-N 270.307 3.879 30 20 CHED CSC(C)(C)CCNc1ccc(OCC#N)cc1 385307945 MMGSARYVKGIGAH-UHFFFAOYSA-N 264.394 3.533 30 20 CHED CC(=NNCc1ccccc1)c1ccc(F)cc1C 731314597 OHMVMZMBVJZGQK-UHFFFAOYSA-N 256.324 3.648 30 20 CHED CCCN(CC1CC1)C(=O)Nc1cc(C#N)ccc1C 58453656 KNHKGEQNCXPWLB-UHFFFAOYSA-N 271.364 3.521 30 20 CHED CC[C@@](C)(NCCCC(C)(C)C#N)c1nccs1 174871798 FNKXZHZBGHQAMT-CQSZACIVSA-N 265.426 3.688 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2coc3ccccc23)C1 116811030 JXXKYQRGNSTFTD-SJKOYZFVSA-N 282.343 3.635 30 20 CHED CC(C)n1cccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 179611546 XHXJVUGZWUWOKG-GFCCVEGCSA-N 293.326 3.700 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(CC)cc2)CC1 111704792 GWMWGCREOKANQV-UHFFFAOYSA-N 258.365 3.679 30 20 CHED CC[C@H](C)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 61888916 NKCJACHYBNFDLY-SVGFKBNWSA-N 284.403 3.625 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)CSc2ccccc2)CC1 110361075 GADNOXNLMCCBNN-AWEZNQCLSA-N 289.444 3.839 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 175099561 ACYCJZZRMHOREK-XJKSGUPXSA-N 294.354 3.749 30 20 CHED CCC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1 301845832 TWQATWALUQIUHN-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ncccc1-c1ccccc1 179465753 GITKDLUCWSUDFB-AWEZNQCLSA-N 296.370 3.668 30 20 CHED Cc1ccc(N/C(N)=N\CC2CCC(C)CC2)cc1 303869264 DTYIJZCPASGYEI-UHFFFAOYSA-N 259.397 3.548 30 20 CHED C=CCCCC(=O)NCCCc1cccc(Cl)c1 175468971 GILUJKPHCPGXMQ-UHFFFAOYSA-N 265.784 3.745 30 20 CHED C=CCN(CCOC)Cc1ccc(Cl)c(Cl)c1 483435251 XJNXLSYBUYBYBZ-UHFFFAOYSA-N 274.191 3.628 30 20 CHED COc1ccccc1[C@@H](C)Nc1ccc(OCC#N)cc1 20126462 ANDLDGDOAAYEHV-CYBMUJFWSA-N 282.343 3.771 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)CCc1ccc(C#N)cc1 24618952 MVCIRKJSQHBTEJ-CYBMUJFWSA-N 298.411 3.772 30 20 CHED C/C=C(\C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 176041132 MYQYWPSWNDGAHW-DGDCUBRUSA-N 283.158 3.640 30 20 CHED CC[C@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 301421574 FGLDHFQJPLJNJT-WMZOPIPTSA-N 291.398 3.973 30 20 CHED CCN(CCCCCCCO)[C@@H](C)c1ccc(C#N)cc1 173562138 FBXMYSUTONIVGT-INIZCTEOSA-N 288.435 3.884 30 20 CHED C[C@H](NC[C@@H](C)Oc1ccccc1F)c1ccc(C#N)cc1 174263382 UPLKTYSPDWNOTA-KGLIPLIRSA-N 298.361 3.815 30 20 CHED C=C(C)CS[C@H](C)C(=O)N[C@H](C)c1ccccc1OC 177868702 WSMPNXOQVBWISD-CHWSQXEVSA-N 293.432 3.570 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 173302086 QAILADZMLSRXBW-DYVFJYSZSA-N 291.354 3.783 30 20 CHED N#Cc1cccc(C#N)c1NCC1(Cc2ccccc2)CC1 302889299 OULCOTHZTYBAFZ-UHFFFAOYSA-N 287.366 3.865 30 20 CHED N#Cc1nc(NCCc2cc3ccccc3[nH]2)ccc1Cl 301756836 YLVNYPHWSAYIID-UHFFFAOYSA-N 296.761 3.743 30 20 CHED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCCCC#N)c1 61764137 QPSPZPMZRHFYDD-AWEZNQCLSA-N 289.375 3.733 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@@H](Cc3ccccc3)C2)cn1 302470470 CSMQQARLQLBMRT-HOTGVXAUSA-N 277.371 3.777 30 20 CHED O=C(/C=C/c1cncs1)c1ccc2c(c1)CCCC2 129969838 QRFDNEHJKCXSJE-BQYQJAHWSA-N 269.369 3.918 30 20 CHED CN(CC1(c2ccccc2)CC1)c1ncc(C#N)cc1Cl 302524528 JOMLSILHMGRLAO-UHFFFAOYSA-N 297.789 3.775 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(C2CC2)CC1 123817757 RRIPZEMXESGYLK-UHFFFAOYSA-N 264.413 3.564 30 20 CHED C=CCOc1cccc(NC(=O)N2CCCC[C@H](C)C2)c1 186436034 DJWOWUPTSOYCSM-AWEZNQCLSA-N 288.391 3.905 30 20 CHED CCCC(C#N)(CCC)NC(=O)CO[C@@H]1CCCC[C@H]1C 121722991 BQEGYVIBXRMTMS-HUUCEWRRSA-N 294.439 3.560 30 20 CHED N#CCC[C@@H](C#N)COc1cccc2ccc(Cl)nc12 189460186 JJLPGZPMXYMEJZ-NSHDSACASA-N 285.734 3.711 30 20 CHED C=CCC[C@H](NC(=O)N1CC[C@H](C)C1)c1ccccc1 409503693 RZXANCKLXNSSDP-HOCLYGCPSA-N 272.392 3.745 30 20 CHED C=CCC[C@@H](C)NC[C@@H](c1ccco1)N(CC)CC 185228216 RUNKTTBGIWHEAR-CABCVRRESA-N 264.413 3.607 30 20 CHED CCc1ccc([C@@H](C)CC(=O)Nc2ccc(C#N)cn2)cc1 78109816 DZKMNLLREWUNDM-ZDUSSCGKSA-N 293.370 3.648 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1O[C@@H](C)C#N 186943637 CSBNXFSKFZFIHI-GDZNZVCISA-N 286.375 3.598 30 20 CHED Cc1cc2c(cc1N[C@@H](C#N)C1CCCCC1)OCO2 180220282 OABZSFAWUYNLRX-AWEZNQCLSA-N 272.348 3.608 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CSc2ccc(F)cc21 211185579 RRMUYUGKQMDDQV-WDZFZDKYSA-N 286.327 3.903 30 20 CHED Cc1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H](C)C1 180817088 GGWXKFBYFFQPPD-CZUORRHYSA-N 294.402 3.952 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NCc1ccc(F)c(C#N)c1 123656313 GSJYOKOGWAALAG-UHFFFAOYSA-N 299.305 3.835 30 20 CHED C[C@H]1Cc2ccccc2N(Cc2ccc(C#N)s2)C1 507714670 PIIBGNILTWJRMK-LBPRGKRZSA-N 268.385 3.819 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 128198250 IOYOFWBSNPPTOS-GUYCJALGSA-N 298.361 3.789 30 20 CHED C#CCC(C)(C)C(=O)Nc1ncc(-c2ccccc2)s1 185312387 FBEAIDUBIKFWRB-UHFFFAOYSA-N 284.384 3.798 30 20 CHED CC[C@H](C#N)NC(=O)[C@H](CC1CCCCC1)C(C)C 123501076 OMWYMWXFFQQUGL-HUUCEWRRSA-N 264.413 3.647 30 20 CHED N#CCOc1ccc(NCc2ccc3cnccc3c2)cc1 319143646 UXBAVRPZGSXUHP-UHFFFAOYSA-N 289.338 3.749 30 20 CHED C=C(C)CN(C)C(=O)c1sc2ccc(F)cc2c1C 180387998 WSNPOKPWJKVBDF-UHFFFAOYSA-N 277.364 3.997 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](CC)c1c(C)noc1C 180995203 BNMIVVMCPHIUGW-BXUZGUMPSA-N 293.411 3.787 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2ccc(C#N)cc2)cc1 73986184 VQIZIECFJIGMQM-CQSZACIVSA-N 280.371 3.760 30 20 CHED CN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C(C)(C)C 416284964 GNWIBXBYHIELKI-DLBZAZTESA-N 298.430 3.774 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCCC#N 413015024 RMSXKJRISKKQDE-SNVBAGLBSA-N 250.323 3.611 30 20 CHED C=CC[C@H](C(=O)Nc1cc(C(C)C)n[nH]1)c1ccccc1 188207801 TUURSIOTJLDPGW-AWEZNQCLSA-N 283.375 3.832 30 20 CHED CC[C@H](CNC(=O)c1cccc(C#N)c1C)CC(F)(F)F 412662856 YFLYNDCVDFWMQU-NSHDSACASA-N 298.308 3.575 30 20 CHED C[C@H](NCc1ccccc1C#N)c1ccc(F)cc1F 182270854 OYNDLCLZEJEBPD-NSHDSACASA-N 272.298 3.687 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Sc1ccccc1 410129375 YTUHMGJVPGGDDP-CHWSQXEVSA-N 263.406 3.638 30 20 CHED COc1cccc([C@H]2CCCN2CCC(C)(C)C#N)c1 157528834 UPTIGCLBPNMNMA-MRXNPFEDSA-N 272.392 3.772 30 20 CHED C[C@H]1Cc2ccccc2N(Cc2cc(C#N)cs2)C1 507719163 LGHBQNYHPRARDZ-LBPRGKRZSA-N 268.385 3.819 30 20 CHED CC[C@@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1 125042382 KBTAXPFUFOOZBC-HNNXBMFYSA-N 284.403 3.865 30 20 CHED N#Cc1ccc(SC[C@H]2CCCC[C@@H]2O)c(Cl)c1 413000143 OMAUXPIVSOAMGD-YPMHNXCESA-N 281.808 3.855 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC(C)(C)C1 509854464 WDHLJKKASAUTJL-CQSZACIVSA-N 266.429 3.953 30 20 CHED C=CCCC[C@H](C)NC(=O)CSc1ccc(C#N)cc1 182583238 KENJALVJTSVYQB-ZDUSSCGKSA-N 288.416 3.511 30 20 CHED C=CCC[C@@H](Nc1cccc(N2CCCC2=O)c1)C1CC1 182808843 MRRPCKXYOGEEBV-QGZVFWFLSA-N 284.403 3.970 30 20 CHED CCCC(CCC)C(=O)N[C@@](C)(C#N)C(C)(C)C 410673755 KPDHGXWDGXNGEM-HNNXBMFYSA-N 252.402 3.647 30 20 CHED C=CCN(CC=C)Cc1cc(=O)oc2c(C)c(C)ccc12 72590782 QTQUOTHSJHOAJO-UHFFFAOYSA-N 283.371 3.584 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCCC2)c2ccccc2n1 315330662 MGDLXHZYHVNTMI-UHFFFAOYSA-N 293.370 3.956 30 20 CHED CC(C)CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 73427215 RVAWMFSULUDEHH-SJORKVTESA-N 299.418 3.514 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1ccccc1OC 185449067 ZPKZOORXOAODRP-MRXNPFEDSA-N 285.387 3.552 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 416095897 HEUXKKJGUMNEPW-WBVHZDCISA-N 296.414 3.878 30 20 CHED N#CC1(CCS[C@@H]2CCCOC2)CCCCC1 413001015 OXARBPITCVDFIJ-CYBMUJFWSA-N 253.411 3.763 30 20 CHED C=CCC[C@H](C)Nc1cccc([C@@H](C)C(=O)OC)c1 414483819 GBIWEBQEWNNXOS-QWHCGFSZSA-N 261.365 3.730 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1 229748432 RQRDMSFMTNKBID-IUODEOHRSA-N 260.356 3.708 30 20 CHED CC1(C(O)=Nc2csc(-c3ccncc3)n2)CC1 328776712 SQRPCZABJCGTEN-UHFFFAOYSA-N 259.334 3.593 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CCCC1 530971295 UZLUMNIBSDGTRE-MSOLQXFVSA-N 268.404 3.948 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1c1cccc(Cl)c1 48565691 RPBYQDDIEXGIME-HNNXBMFYSA-N 283.762 3.948 30 20 CHED CC(C)(C)c1nc(CN2CCC[C@@](C)(C#N)C2)cs1 612163765 YJACEMCTXKJEMV-HNNXBMFYSA-N 277.437 3.566 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1cccc(SC(F)F)c1 86285534 JHRGHFWVEWGZDE-SECBINFHSA-N 299.346 3.767 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn(-c2ccc(C)cc2)c1C 44009771 CDSDIVZQIWDISQ-UHFFFAOYSA-N 297.402 3.527 30 20 CHED C=CCN(C)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 429965663 OJHJJBNFVLZLRS-OAHLLOKOSA-N 274.408 3.991 30 20 CHED CC(C)n1ncc2ccc(N=C(O)C[C@@H]3CCOC3)cc21 329852184 RHJHYCRUUSADBK-LBPRGKRZSA-N 287.363 3.632 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)s2)o1 194656192 LTGNMARNPDFLEK-DUXPYHPUSA-N 296.731 3.677 30 20 CHED N#CCC1(COc2ccc(OC(F)(F)F)cc2)CC1 134993479 MDPWKWSWCPQQRL-UHFFFAOYSA-N 271.238 3.658 30 20 CHED CC1(CC(O)=Nc2nncn2C2CC2)CCCCC1 329130793 XGYCBPFRJPCTEM-UHFFFAOYSA-N 262.357 3.562 30 20 CHED C[C@@H](CC(=O)NCc1cc(C#N)ccc1F)c1ccccc1 80777036 LWNANNNMTZUYMN-ZDUSSCGKSA-N 296.345 3.507 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 517350013 XCNBZKNYZHLOOS-WMZOPIPTSA-N 289.419 3.526 30 20 CHED C=CCOc1ccccc1C(=O)N(C)CCc1ccccc1 45179963 XLJVOAGVJIMFBC-UHFFFAOYSA-N 295.382 3.566 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc(Cl)s1 84077390 YVYRZZOCIYTTOG-SSDOTTSWSA-N 296.804 3.826 30 20 CHED CCN(C(=O)Cc1cccs1)[C@@H](C)c1ccc(C#N)cc1 45498937 VXEDALLVFODUPS-ZDUSSCGKSA-N 298.411 3.772 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OC)c(COCC)c1 426560444 QAWQJUXIJNHTGU-QGZVFWFLSA-N 289.419 3.772 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)CCC 81731489 IMQAMLUGRJYDCC-GFCCVEGCSA-N 273.380 3.755 30 20 CHED C/C(=C\C(=O)Nc1sccc1C#N)c1ccc(F)cc1 194880647 ZKTQQTOHYFTOMD-CSKARUKUSA-N 286.331 3.801 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCc3ccccc32)cc1F 421371466 XWTGBXGPXSVNGH-INIZCTEOSA-N 280.346 3.517 30 20 CHED C[C@@H](NCc1ccc2c(c1)CCCN2)c1ccc(C#N)cc1 423454767 ZNUNPESMEOOFRJ-CQSZACIVSA-N 291.398 3.767 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 510384318 WNTNETYMNVTVGX-WBMJQRKESA-N 298.773 3.705 30 20 CHED N#C[C@H]1CC[C@H](N2CC=C(c3ccc(F)cc3)CC2)C1 336630915 QTTYNQBWYYMNCS-GUYCJALGSA-N 270.351 3.607 30 20 CHED Fc1ccc(C#CCn2cnc3cc(F)c(F)cc32)cc1 194595108 SUUOWXWRRSHFHG-UHFFFAOYSA-N 286.256 3.505 30 20 CHED CCSc1cccc(N=C(O)N[C@@H]2CCC[C@H]2C#N)c1 330891215 JVLJEUHZIIDYBQ-SMDDNHRTSA-N 289.404 3.626 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NCC#Cc1cccc(F)c1 513222397 NMKMBMPLEMQXSG-AWEZNQCLSA-N 289.394 3.756 30 20 CHED N#CC[C@H](CC(=O)NC1CCCCC1)c1ccccc1 331026060 PADVVLNPBARSHS-OAHLLOKOSA-N 270.376 3.523 30 20 CHED O=C(CC1CCCCCC1)NCC#Cc1ccccc1 426073886 RQCOWMDCMIKTQB-UHFFFAOYSA-N 269.388 3.515 30 20 CHED N#Cc1ccc(NCCCCCOC2CCCCC2)cn1 426887429 WDLALDXLASFYRF-UHFFFAOYSA-N 287.407 3.885 30 20 CHED C=CCN(C(=O)c1cccc(C(C)=O)c1)c1ccccc1 428151717 FXCMUVYVNUHDIQ-UHFFFAOYSA-N 279.339 3.722 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421564449 ZKNDBYQPIJKKSS-ZFWWWQNUSA-N 295.386 3.893 30 20 CHED Cc1nc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 334276347 CQCBTYALIZIOKR-MRXNPFEDSA-N 297.427 3.799 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2cccc(CC#N)c2)CC1(C)C 334995191 RLFJHUKKICMUAF-HNNXBMFYSA-N 285.391 3.651 30 20 CHED N#CC1(F)CCN(Cc2cc(Cl)ccc2Cl)CC1 510872764 OZSJOUCHCMXWLT-UHFFFAOYSA-N 287.165 3.821 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(CC#N)c1 332280712 RGEOYUOKQQXWHA-KMFMINBZSA-N 297.402 3.938 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)c2cccc(C#N)c2C)o1 337841423 ZPWKUBPFIPKARC-MRXNPFEDSA-N 294.354 3.745 30 20 CHED C[C@H]1c2ccccc2CN1C(=O)[C@]1(C#N)CC12CCCC2 336226640 ZZXRPCQATQVYQY-SCLBCKFNSA-N 280.371 3.564 30 20 CHED CNc1ccc(Cl)c(/C(O)=N/C[C@@H]2CCO[C@H](C)C2)c1 331241343 MUBNXTPMITVTPS-GHMZBOCLSA-N 296.798 3.501 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 435606675 MBDOONLYHWEFPC-SHTZXODSSA-N 293.326 3.825 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(F)ccc1C 335757312 DFAUOOUYCSTITE-ZDUSSCGKSA-N 262.328 3.707 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1c2ccccc2CC[C@H]1C 331904175 GHHBSJJGKLHFOV-DIFFPNOSSA-N 294.354 3.513 30 20 CHED C=CCCCCNC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 437770394 GVYMUENKVAXDSZ-HDJSIYSDSA-N 290.382 3.727 30 20 CHED CC(C)OCCSc1ccc(C#N)cc1Cl 163290634 VQMZSCHWGMBSKQ-UHFFFAOYSA-N 255.770 3.729 30 20 CHED COc1cc(C)c(NC(=O)c2cc(C#N)oc2C)c(C)c1C 335314319 DNGRIRVHIWBMPG-UHFFFAOYSA-N 298.342 3.646 30 20 CHED CCSCC[C@@H](C)N(C)CC(C)(C)CCC#N 93871114 ZDWAORGMHFVUMM-CYBMUJFWSA-N 256.459 3.780 30 20 CHED CCN(CCc1ccccc1)C(=O)c1cccc(C#N)c1C 337751793 JNJMYVFDVTVSHO-UHFFFAOYSA-N 292.382 3.572 30 20 CHED N#CCCC1CCN(C/C=C\c2ccc(F)cc2F)CC1 521877023 QUEPSSOSRDCAIT-RQOWECAXSA-N 290.357 3.994 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H]1C1CCC1 432563877 WXDDYNVUZWUXCK-AWEZNQCLSA-N 264.413 3.563 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc2oc(C)nc12 348419603 JAUDANJCOQDIQT-NSHDSACASA-N 272.348 3.611 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)C(=O)CCC2 439463044 RNTAFRDFUPIECI-CYBMUJFWSA-N 286.375 3.682 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCSc3ccccc32)C1 349340388 GYIAVVIAFIOQLR-MBNYWOFBSA-N 258.390 3.505 30 20 CHED C=CCC[C@@H](CC)NCCc1ccc(F)c(F)c1 526049464 WNHWPVXOWYFMSX-CYBMUJFWSA-N 253.336 3.842 30 20 CHED Cc1c[nH]cc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430593866 JUJWUFOBBZEIOG-JTQLQIEISA-N 287.388 3.567 30 20 CHED Cc1c(NCC(C)(C)CCC#N)cnn1CCC(C)C 341303887 NIFKBOSOGTXGAX-UHFFFAOYSA-N 276.428 3.980 30 20 CHED CC[C@H](C)NC(=O)[C@@H](C)S[C@H](C)c1cccc(C#N)c1 248881659 DFXVYFCBOIYLRH-YNEHKIRRSA-N 290.432 3.656 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)c2ccco2)cc1 245502529 GAYRNMHJIFQQPX-ZIAGYGMSSA-N 284.359 3.763 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](C)c2ccco2)c1 607478794 DQDNNUPHNAWLKX-GFCCVEGCSA-N 271.316 3.587 30 20 CHED CC1(C)CCCN(Cc2cccnc2C(F)(F)F)[C@H]1C#N 528473344 FNURCDOSNKLMNY-LBPRGKRZSA-N 297.324 3.615 30 20 CHED C[C@H](C#N)CN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 527235487 SPIWEBRISOEBPD-WOPDTQHZSA-N 250.773 3.581 30 20 CHED CC(C)(C#N)CCSCCOCC(F)(F)C(F)F 341996449 BEUJEDHVUFHFFZ-UHFFFAOYSA-N 287.322 3.576 30 20 CHED C=CCSCC(=O)Nc1ccccc1C(C)(C)C 603749112 MHTNZQPWDRNXKB-UHFFFAOYSA-N 263.406 3.842 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCSc2c(F)cccc21 602512200 RTUDYKQCFPHTAR-BXUZGUMPSA-N 278.396 3.892 30 20 CHED C[C@@H](CCC#N)CNCC(C)(C)Cc1ccccc1 602551953 PVXLRSRXZTYNQK-HNNXBMFYSA-N 258.409 3.785 30 20 CHED C=CCCC[C@H](C)NC(=O)c1csc(C(C)C)n1 343243772 AVMNEGPJCSYQLC-NSHDSACASA-N 266.410 3.741 30 20 CHED C=CCOc1cccc(CN2CCC[C@@H]2c2cccnc2)c1 348906632 UQBPPWQMBKQISU-LJQANCHMSA-N 294.398 3.984 30 20 CHED COc1ccc2nc(/C=C\c3ccncc3C#N)sc2c1 349109597 NKQSOMDUAAOLNV-DJWKRKHSSA-N 293.351 3.742 30 20 CHED COc1cc(C#N)ccc1CN1CCc2ccccc2[C@@H]1C 347251736 HFGDAVKVUMASEX-AWEZNQCLSA-N 292.382 3.686 30 20 CHED CN1C(=O)CCc2cc(C(=O)/C=C\c3cccs3)ccc21 255841823 OKAFIBUGMOFCNF-VURMDHGXSA-N 297.379 3.553 30 20 CHED C=CCCCC[C@@H](C)NCCc1c[nH]c2ncccc12 449207831 QMGAJANORJEGIX-CQSZACIVSA-N 271.408 3.830 30 20 CHED CCCN(CC#N)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 608959325 YZEOSLOIYSGJEB-KGLIPLIRSA-N 264.413 3.601 30 20 CHED CCn1nccc1/C=C\C(=O)c1cc2ccccc2o1 255342105 OROGEPHSQCJDLC-FPLPWBNLSA-N 266.300 3.545 30 20 CHED C[C@H](CCC#N)CN[C@H]1CC[C@H](c2ccc(F)cc2)C1 602647664 JVBLSXFVILQWHT-KMFMINBZSA-N 274.383 3.991 30 20 CHED N#Cc1csc(-c2nc(-c3ccc(Cl)o3)no2)c1 350932049 WEJCCDDRPNUHIW-UHFFFAOYSA-N 277.692 3.583 30 20 CHED CCC[C@H](NCc1ccc(C#N)s1)C(C)(C)C 449465403 CUDPUMUCMAHBGQ-ZDUSSCGKSA-N 250.411 3.924 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCC(=O)[C@@H](C)C2)CCCC1(C)C 443869581 PIEOQUUXWVJYCN-DZKIICNBSA-N 291.435 3.585 30 20 CHED C=CC[C@H](CO)CNC(=O)[C@H](CC1CCCCC1)C(C)C 537119513 QWZRFUMERCYADY-DLBZAZTESA-N 295.467 3.530 30 20 CHED Cc1ccc(CCNc2nc(C(F)(F)F)ccc2C#N)o1 609669720 YUHOWGDFHPYONJ-UHFFFAOYSA-N 295.264 3.528 30 20 CHED CN(Cc1ccc(C(F)F)cc1)CC(C)(C)C#N 354043449 YHRIHUZSTQMWIB-UHFFFAOYSA-N 252.308 3.606 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(Cl)c1 355365561 MLTRWSQSMOHURN-UHFFFAOYSA-N 299.761 3.814 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 448747068 DLYWOEMWTQZPKH-SOLBZPMBSA-N 299.414 3.646 30 20 CHED C[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 619697576 VRIKUCHJULHPGR-BXUZGUMPSA-N 292.329 3.561 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)CC(=O)N3)CCCCC1 449861781 SITSLTHXDZLWCL-UHFFFAOYSA-N 298.386 3.646 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCOC2(CCC2)C1 449189129 OYIZDWCOCHZHHX-LSDHHAIUSA-N 251.414 3.813 30 20 CHED CC(C)COc1ccccc1N[C@H]1CC[C@H](C#N)C1 442869032 DIFRRIRLQDUMCW-KBPBESRZSA-N 258.365 3.826 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccncc1 610367657 SOYVLFJDONGCRV-HNNXBMFYSA-N 279.387 3.926 30 20 CHED C[C@@H]1CCN(CCCCC(C)(C)C#N)CC1(F)F 444692636 FRNMQOQRTYRXIK-GFCCVEGCSA-N 258.356 3.684 30 20 CHED C=C(CN[C@@H](C)c1ccc(F)cn1)c1ccccc1 356696490 MMGMUYWTKPWVMF-ZDUSSCGKSA-N 256.324 3.585 30 20 CHED N#CCc1ccc(CN2CC[C@H]2c2cccc(F)c2)cc1 612086320 ZWDUNSMVPCQSFP-SFHVURJKSA-N 280.346 3.839 30 20 CHED CC1(NC(=O)c2cn(CCCC#N)c3ccccc23)CCC1 618222266 IZYSECDASZFUSQ-UHFFFAOYSA-N 295.386 3.617 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cccc(C)c1 537188264 VTRDVQALRNZKSU-AWEZNQCLSA-N 260.381 3.539 30 20 CHED CC(C)C[C@H](C(=O)NCCCCC#N)c1ccccc1 353710424 JQBUGAWWFXJGIV-INIZCTEOSA-N 272.392 3.626 30 20 CHED CCc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618735346 YKUMRMSVGDYROB-SFHVURJKSA-N 290.366 3.538 30 20 CHED CC[C@H](C)n1ncc(Nc2ccc([N+](=O)[O-])cc2C#N)c1C 357640684 GCCJQPDBPBYNCV-JTQLQIEISA-N 299.334 3.686 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 355649435 ZPMAVWNZQMOOEL-KDOFPFPSSA-N 297.402 3.753 30 20 CHED Cc1cc(C#N)ccc1CN(C)CCOc1ccccc1C 614395959 FCWNUQODOLHMBY-UHFFFAOYSA-N 294.398 3.686 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCc3ccccc3C2)n1 613409248 PNPQHNAQHMALMG-UHFFFAOYSA-N 291.398 3.813 30 20 CHED COc1cc(Cl)c(C)cc1N[C@H]1CC[C@@H](C#N)C1 442863420 CWLOSZODURWBMI-MNOVXSKESA-N 264.756 3.761 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2ccc(C)cc2[nH]1 537231521 QGOOLKLPJFJARN-CYBMUJFWSA-N 270.376 3.951 30 20 CHED COc1ccc([C@@H]2CCCN2c2nc(C#N)ccc2C)cc1 611399116 OEJFRMDSGPLOKR-KRWDZBQOSA-N 293.370 3.612 30 20 CHED C=C(C)CN(C)C(=O)c1c(-c2ccccc2C)noc1C 356635229 RFGUIJGNNHIZCF-UHFFFAOYSA-N 284.359 3.607 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1cc(C#N)cs1 354862804 UPNWTRWNEQYUDX-UHFFFAOYSA-N 297.383 3.891 30 20 CHED C[C@@H](CCC#N)N1CCC[C@](C)(c2ccccc2)C1 351406194 DCVURIRIVJTMBU-RDJZCZTQSA-N 256.393 3.732 30 20 CHED C[C@H](NCc1cc(F)c(F)c(F)c1)c1cccc(C#N)c1 610344879 KGBISZAQJKAKAR-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=CCCc1ccccc1NC(=O)Cn1cc(C2CC2)cn1 614480446 XMYAOPABXBDXMI-UHFFFAOYSA-N 295.386 3.518 30 20 CHED Cc1ccc(C#N)c(N2CCC(c3ccccc3F)CC2)n1 534300213 TXIGQDNJOCYGCK-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C=C(CC)CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 456832522 XNWLDUMDEHQIKP-UHFFFAOYSA-N 297.320 3.819 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(N(C)CC)nc1 361498818 WDFIRKBHEXZKRF-UHFFFAOYSA-N 295.430 3.726 30 20 CHED CC(C)n1ncc2cc(N[C@H]3CC[C@@H](C#N)C3)ccc21 619673769 MSLDACSRAOSWMG-OCCSQVGLSA-N 268.364 3.721 30 20 CHED Cc1c(Cl)cnc(N[C@H](C)CC(F)(F)F)c1C#N 361757262 QZGPDMVNTPPFLA-ZCFIWIBFSA-N 277.677 3.668 30 20 CHED Cc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)[C@H](C)C2 459725588 DDZACKDWBPMEPI-CJNGLKHVSA-N 256.393 3.758 30 20 CHED C=C(C)CCNC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 455318248 YLBWDZFNPOYONO-CJNGLKHVSA-N 264.413 3.563 30 20 CHED Cc1sc(NC(=O)[C@@H]2C[C@H]2CC(C)C)c(C#N)c1C 459847012 SBDPTFKDBMGSIF-VXGBXAGGSA-N 276.405 3.857 30 20 CHED N#Cc1ccccc1NC(=O)Cc1coc2cc(F)ccc12 360706661 BPCMLYDPMWMHAH-UHFFFAOYSA-N 294.285 3.625 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2=CC[C@@H](C)CC2)cc1 456047452 LVJOGLOIOAPMNY-DYVFJYSZSA-N 282.387 3.676 30 20 CHED Cc1cccc(C)c1[C@@H](C)OC(=O)CC(C)(C)C#N 278665481 FOGOEBUNEUHIJH-CYBMUJFWSA-N 259.349 3.848 30 20 CHED CN(CCCCC#N)Cc1ccc(F)cc1Br 362212150 LSWPYVZWFLRTOT-UHFFFAOYSA-N 299.187 3.714 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC[C@](C)(C#N)C1 612135111 OJPRNKCORZSXPS-JKIFEVAISA-N 291.439 3.536 30 20 CHED C=CCC1(C(=O)NC[C@@]2(C)CCCS2)CCCC1 450105575 LOUUOUFTOLSBMT-CQSZACIVSA-N 267.438 3.525 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCC[C@H](C)O)cc1 278830543 OVPRIXCMXSXATM-KBPBESRZSA-N 297.826 3.630 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 611115199 SWACBHISJVUUDN-ZJIFWQFVSA-N 276.424 3.647 30 20 CHED N#Cc1ccc(CNCc2ccc(-c3ccncc3)cc2)cc1 361502189 BKKQQKXJTFTNDE-UHFFFAOYSA-N 299.377 3.910 30 20 CHED CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[C@@H](C#N)C1 278701794 SZUMINKAPCOPNS-CHWSQXEVSA-N 298.308 3.709 30 20 CHED C=C(C)CCNC(=O)N(CC)Cc1ccc(Cl)cc1 455312806 PRQMTIMUSFAXDP-UHFFFAOYSA-N 280.799 3.838 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@H](c2ccccc2F)C1 455365264 KFRBTEWSHMYSSZ-ZDUSSCGKSA-N 290.382 3.537 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ncc(C2CCCCC2)s1 274834609 BNJNUIRNGSRDGW-JTQLQIEISA-N 292.408 3.614 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(C#N)c(F)c1 453377597 IYBIZDOCIDEQCJ-ADLMAVQZSA-N 298.336 3.860 30 20 CHED C=C(CC)CNC(=O)NCc1ccc(OCC)c(Cl)c1 454929796 RZKDRQSXISIVFV-UHFFFAOYSA-N 296.798 3.504 30 20 CHED CC[C@H](CN(CC)C(=O)C1(C#N)CC(C)C1)c1ccccc1 548501403 UCCHWELUOYUZHC-KOHRHEQBSA-N 298.430 3.969 30 20 CHED COc1cccc2c1OCC[C@H]2Nc1cccc(F)c1C#N 368860184 UTCCIRTWLSVPDL-OAHLLOKOSA-N 298.317 3.642 30 20 CHED C[C@H](C#N)CSc1ccccc1NCC[C@H]1CCOC1 453091396 PZBQEDOQTZSBQT-KGLIPLIRSA-N 290.432 3.777 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 450303535 NHJLQTSEWURFEZ-DOTOQJQBSA-N 296.414 3.880 30 20 CHED CC#CCCNC(=O)[C@@H](CC1CCCCC1)C(C)C 544582927 XKRRUCYEFVHHBB-INIZCTEOSA-N 263.425 3.759 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1ccc(C)nc1C 272456260 QFDZZVFSGOSIKI-UHFFFAOYSA-N 299.374 3.554 30 20 CHED C=CCCOCCCCc1nc([C@@H]2Cc3ccccc32)no1 544989699 SQULVYOMNUBNIA-MRXNPFEDSA-N 298.386 3.673 30 20 CHED C=C[C@H](CC(=O)NCCCC(F)(F)F)c1ccccc1 270329658 LCGOATQKTYQUOJ-GFCCVEGCSA-N 285.309 3.805 30 20 CHED C=C[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 464759751 YAUBJZGYRHUUMZ-UXLLHSPISA-N 286.419 3.786 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccnc1 271932420 LVSLOESKNIUNLE-NEPJUHHUSA-N 269.323 3.504 30 20 CHED CCCN(C(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)C 543480809 FMTROUKDZKIBPA-UHFFFAOYSA-N 278.783 3.862 30 20 CHED C=CCN1CC[C@@H](Nc2cccc(-c3cccs3)c2)C1=O 540808858 QMQYOLAICJLCIH-OAHLLOKOSA-N 298.411 3.614 30 20 CHED C[C@@H]1Oc2ccccc2[C@H]1Nc1ccc(Cl)c(C#N)n1 377175130 KSHDIJFIZRVEMQ-VFZGTOFNSA-N 285.734 3.541 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C#N)cc1 466971042 LHGYIGHTCOEBDY-ZBFHGGJFSA-N 285.391 3.991 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)Oc1ccccc1F 467995021 OAFHLFORDAIXKW-DYVFJYSZSA-N 293.382 3.702 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](c1ccccc1)N(CC)CC 466533875 KQXSLOHGGQUVQN-SJORKVTESA-N 288.435 3.540 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1CN(CC)CC 466426688 RWFGOVQUBGIFGO-BBWFWOEESA-N 294.483 3.606 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1ccc(CC#N)cc1 469778634 FBBPOXAHRQWKBN-SJORKVTESA-N 288.460 3.907 30 20 CHED C[C@H](NC(=O)CSCCC(C)(C)C#N)c1ccccc1 289356728 HQSYCMQRRSOHJU-ZDUSSCGKSA-N 290.432 3.537 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(F)cccc1Cl 281193657 BPYRCAAATTXCPU-SECBINFHSA-N 255.720 3.564 30 20 CHED C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)c1cccc(C#N)c1 463070577 OOPPKVCZUJGIRI-ZIAGYGMSSA-N 290.366 3.640 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 288604983 MTANDMFQBNFHPT-YPMHNXCESA-N 288.391 3.747 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C(C1CCC1)C1CCC1 552245066 MYIWAYUIGRYPCN-UHFFFAOYSA-N 297.402 3.755 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 472835231 OFBKIFQXOXODGL-NVXWUHKLSA-N 286.419 3.930 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCc1ccc(C)s1 291371739 AFHABODOKXNTPX-UHFFFAOYSA-N 292.448 3.920 30 20 CHED C=C(C)CN(CC)C(=O)NCC1(CC)CCCC1 474317060 CEKOVAYNIYQOBT-UHFFFAOYSA-N 252.402 3.564 30 20 CHED CCCc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1 299485526 AZPFQYQVMWRYOI-UHFFFAOYSA-N 296.370 3.788 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 803318807 BQRRXXFCXWCBNE-IAQYHMDHSA-N 294.778 3.852 30 20 CHED CCSc1ccccc1C(C)=NN[C@@H]1CCSC1 807999323 KIWSKTUJWPQVOS-GFCCVEGCSA-N 280.462 3.618 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1ccc(Cl)cc1Cl 292020966 ZIDPRVWTWZADTF-SECBINFHSA-N 285.174 3.864 30 20 CHED C[C@@H]1/C(=C2/COc3ccc(F)cc32)C(=O)c2ccccc21 809158957 GGCXNTBQLJKHLU-FQJKJTRHSA-N 280.298 3.972 30 20 CHED C#C[C@H](Nc1nc(CC)ns1)c1ccc(Cl)cc1F 804807434 GEKQPKRNQARCFT-NSHDSACASA-N 295.770 3.679 30 20 CHED COc1ccccc1C[C@@H](N[C@@H](C)CCC#N)C(C)C 298838013 HUGRUZWJHIWULC-GOEBONIOSA-N 274.408 3.544 30 20 CHED C#CCCCCNC(=O)CCSc1cccc(Cl)c1 808405339 DKSNVXPXNNQGEM-UHFFFAOYSA-N 295.835 3.742 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(CCC#N)CCC(C)C)CC1 473561989 PGTYSICROXGWEU-WKILWMFISA-N 278.440 3.991 30 20 CHED N#Cc1ncccc1NCC(F)(F)c1ccc(Cl)cc1 565984142 PGUYJBKXOCLKRX-UHFFFAOYSA-N 293.704 3.811 30 20 CHED C=CCCCCNC(=O)c1cnc2ccccc2c1C 471717591 ZLRAHGXQXVHZHV-UHFFFAOYSA-N 268.360 3.629 30 20 CHED C[C@H](SC[C@H]1CCC[C@@H](O)C1)c1ccc(C#N)cc1 291817647 DPDMWXXLJRHWOY-DUVNUKRYSA-N 275.417 3.904 30 20 CHED C#Cc1ccc(CNCc2ccc(OCCC)cc2)cc1 809606834 GGRDPLBCFJANKO-UHFFFAOYSA-N 279.383 3.747 30 20 CHED N#Cc1cccc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)O)c1 566495333 ZCJHRHGAWFUMAY-MJGOQNOKSA-N 289.334 3.514 30 20 CHED Cn1cc(-c2ccc(/C=C/C(=O)c3ccco3)s2)cn1 800794404 FMXUJFVNMMNIAK-GQCTYLIASA-N 284.340 3.638 30 20 CHED C#C[C@H](NC(=O)CCC1CCC1)c1ccc(Cl)cc1F 804422126 KNVHJBRVEARUKK-HNNXBMFYSA-N 293.769 3.850 30 20 CHED C=CCCCCCCNC(=O)c1cncc(CC)c1 805217978 ONQUWXJSEZEXII-UHFFFAOYSA-N 260.381 3.510 30 20 CHED CCOc1cccc(/C=N\CCCC(C)(C)COC)c1O 806550915 OJKARMIFHNQIRE-PDGQHHTCSA-N 293.407 3.663 30 20 CHED COc1cc(C(C)=NOCCOC(C)C)ccc1SC 812240657 PTYCLDNBGKBUCC-UHFFFAOYSA-N 297.420 3.583 30 20 CHED CCOc1ccc(NN=Cc2ccccc2OCC)cc1 814984880 LDWOUFHZWPAKEY-UHFFFAOYSA-N 284.359 3.930 30 20 CHED C=C[C@H]1CCCCN1c1cc(N2CCCC[C@@H]2C=C)ncn1 486498305 QDXXRCHLWMQPOD-HOTGVXAUSA-N 298.434 3.566 30 20 CHED CC(C)=CCOc1c(Br)cccc1CC#N 562052267 UUWQGZSZCZIALQ-UHFFFAOYSA-N 280.165 3.860 30 20 CHED N#Cc1cc(Cl)cc(OCCOc2ccccc2F)c1 487418894 JBFFUVFORWODMD-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1ccc(F)c(C)c1 815768651 GDQRJMVYLCNPMI-SNVBAGLBSA-N 271.282 3.523 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCCc2ccc(C)cc21 816711053 PRGMIRKRSCMOLR-AWEZNQCLSA-N 279.330 3.700 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(OCC2CC2)cc1 488842975 SMFKLUZMKXFTCN-MRXNPFEDSA-N 285.387 3.656 30 20 CHED C#C[C@@H](NC(=O)C1(F)CCCCC1)c1ccc(Cl)cc1 811950964 SNISIDCWJMBXRD-CQSZACIVSA-N 293.769 3.803 30 20 CHED CC(C)Cc1ccc(COC(=O)CCCC#N)cc1 812613983 DYIZLALDZVMBOI-UHFFFAOYSA-N 259.349 3.622 30 20 CHED N#CCCCCSCC[C@H]1CC1(Cl)Cl 818157293 OBXDURZFNBWQMA-VIFPVBQESA-N 252.210 3.997 30 20 CHED Clc1ccc(C#CCN2CCC[C@H]2c2ccccn2)cc1 574509270 BQEILHKQDQVGRY-SFHVURJKSA-N 296.801 3.924 30 20 CHED Cl/C=C/CON=Cc1cnc(C2CCC2)s1 811671075 MZYRLNAISBQIOS-MSVOIAIGSA-N 256.758 3.514 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)cc1 811685613 XQAXZSOTYHDFEJ-YFHOEESVSA-N 281.286 3.602 30 20 CHED C#C[C@@H](CC)NC/C(C)=C\c1ccccc1OC(F)F 811505124 FKRWSDXXPHLNRM-HCYCVZQXSA-N 279.330 3.693 30 20 CHED N#Cc1c(C(F)F)cccc1N1C[C@H]2CCC[C@H]2C1 574305322 ITXLBAMEMIYGJY-PHIMTYICSA-N 262.303 3.732 30 20 CHED C=C(C)CCc1noc(C[C@@H](C)N2CCc3ccccc32)n1 656018116 NSOMKUNKRGABKI-CQSZACIVSA-N 297.402 3.572 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccccc1C#N 814834153 QYLAVOWALYDRQJ-UHFFFAOYSA-N 294.314 3.611 30 20 CHED C=CCCn1cc(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)nn1 653766544 IIQBTLLXAVSJBK-HZPDHXFCSA-N 290.455 3.501 30 20 CHED Fc1cc(Br)ccc1C=NOC/C=C/Cl 811668290 MLFKATBLKKZUSR-UOZKWQDASA-N 292.535 3.691 30 20 CHED Oc1ccc(C2CCC(=NNC3CCCC3)CC2)cc1 814832573 IHVLEFOWRKFIIF-UHFFFAOYSA-N 272.392 3.938 30 20 CHED Cc1cccc(CC(=O)Nc2ccccc2C#N)c1Cl 489542793 OUTCZFARPYYACT-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C#CC[C@@H](Nc1nc2ccc(F)cc2n1C)c1ccccc1 814258602 TTXYBEZRQBNBBN-OAHLLOKOSA-N 293.345 3.889 30 20 CHED N#Cc1cc(F)ccc1COc1ccc(Cl)cc1C=O 728441545 KYOOSAWOGOQDFU-UHFFFAOYSA-N 289.693 3.742 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2ccc3sccc3c2)no1 577976028 VHJGLQGTILHHAS-BJOHPYRUSA-N 281.340 3.752 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1cc(F)cc(F)c1 811690525 BUHRAZJLYHYSQI-SNAWJCMRSA-N 287.240 3.872 30 20 CHED C=CC[C@H](CC)NC[C@@H](O)c1ccc(Cl)cc1Cl 819283056 GIPLMVMGHNECHO-SMDDNHRTSA-N 288.218 3.971 30 20 CHED Cc1cccc2[nH]c(=NCc3cc(C#N)ccc3F)sc12 480056110 DPORRQCBWVBHTC-UHFFFAOYSA-N 297.358 3.650 30 20 CHED CSc1ccc(C=NNc2cc(C)ccn2)s1 814868327 OJPILSSXBRJIOU-UHFFFAOYSA-N 263.391 3.619 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1Cl)OC 812426785 LTXUINWUFRINMY-UHFFFAOYSA-N 267.756 3.586 30 20 CHED Fc1ccc(NN=C2Cc3[nH]c4ccccc4c3C2)cc1 814693243 DECPTQSPSWINEI-UHFFFAOYSA-N 279.318 3.874 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1c1ccnc(C#N)c1 577978959 UWNMNDQOGBGLOG-QWHCGFSZSA-N 257.381 3.604 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/C2CC(c3ccccc3)C2)c1 728226592 UTPWEZVLFMTYIL-WOJGMQOQSA-N 296.326 3.666 30 20 CHED COc1ccc(C(C)=NNc2cccc([N+](=O)[O-])c2C)cc1 727973124 RITAHOQVYHFGJD-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)CCC(C)C 491911468 JXHLGJRMSOSAEH-UONOGXRCSA-N 252.402 3.561 30 20 CHED Fc1ccc(C=NNc2ccc(OC(F)F)cc2)cc1 726428854 IELPDQIQAAPZNH-UHFFFAOYSA-N 280.249 3.873 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cnccc1C(F)(F)F 663473293 GWMLJUBDRUUNIU-MNOVXSKESA-N 272.314 3.791 30 20 CHED C[C@H](C#N)Oc1ccc(CNCCC(C)(C)C)cc1 728712038 UBHPYWQZHBMMRN-CYBMUJFWSA-N 260.381 3.503 30 20 CHED Cc1cc(NCCCOc2ccc(C#N)cc2)ccc1F 728568864 WOBUBBFGOSQXIG-UHFFFAOYSA-N 284.334 3.887 30 20 CHED CC1(C#N)CCC(NCC2([C@@H](O)c3ccccc3)CC2)CC1 824023558 VDIVXOZORUUKHI-ADKAHSJRSA-N 298.430 3.562 30 20 CHED N#CCc1ccc(NC(=O)[C@]23CCC[C@@H]2C3)c(Cl)c1 581124872 DJDBVWQHOTZDRD-ABAIWWIYSA-N 274.751 3.535 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3scnc3c2)C1 824971959 CHRIKOXFHRPHIH-LBPRGKRZSA-N 286.400 3.725 30 20 CHED C=CC[C@H]1CCCN(Cc2c(Cl)nc(Cl)n2C)C1 826946110 DVGLLVXCDSJITJ-JTQLQIEISA-N 288.222 3.515 30 20 CHED CCCC[C@H](NC(=O)c1cc(C#N)ccc1F)C1CCC1 829983140 YNYSAOSXTQXJER-INIZCTEOSA-N 288.366 3.786 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(Cl)cnc1Cl 905851790 AHFSGUIVFVPPKL-QMMMGPOBSA-N 273.163 3.929 30 20 CHED CON(C(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1C 820033829 OKEJEEKATLQWRX-CQSZACIVSA-N 294.354 3.632 30 20 CHED Fc1cccc(C=NNCCCc2ccccc2)c1F 730732555 KWVREDCYFNKXSF-UHFFFAOYSA-N 274.314 3.521 30 20 CHED C=CCC[C@@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1ccco1 902436581 ZXQSKLIWJQLWQK-JFIYKMOQSA-N 282.387 3.501 30 20 CHED C#CCN(Cc1cnc(-c2ccccc2F)s1)C1CC1 824173065 VSQJFNKTAPDDPT-UHFFFAOYSA-N 286.375 3.547 30 20 CHED CCCSCC(C)=NNc1cc(C#N)cc(Cl)n1 901205709 PJBPUBASVOSOGJ-UHFFFAOYSA-N 282.800 3.538 30 20 CHED C=CC[C@H](C)NC(=O)C1(C(F)(F)F)CCCCC1 668855275 YISFTEMSJQNVJJ-JTQLQIEISA-N 263.303 3.580 30 20 CHED C=CC[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 839059646 QMLMHLIUWDWJMS-UAGQMJEPSA-N 283.371 3.972 30 20 CHED C[C@@H]1C[C@@H](NN=C2CCCC23CCCCC3)CCO1 834969922 JVWNWCZCVHUDDL-KGLIPLIRSA-N 264.413 3.634 30 20 CHED CC(=NOCc1ccccc1)c1ccc(C)c([N+](=O)[O-])c1 839419715 SPOQDOGOPNYPSB-UHFFFAOYSA-N 284.315 3.844 30 20 CHED CC(C)(C)C#CC(=O)NCc1ccc(OC2CCCC2)cc1 837382202 UUODRTMWXDDPDQ-UHFFFAOYSA-N 299.414 3.674 30 20 CHED C=CCCN(C)C(=O)NCc1cc(Cl)cc(Cl)c1 661393228 OOEYBHSEZLNMSG-UHFFFAOYSA-N 287.190 3.711 30 20 CHED C=CCC1(CN[C@@H]2CC[C@H](C(=O)O)[C@@H](C)C2)CCCC1 902271023 YMMODOJRZFWEHN-ZNMIVQPWSA-N 279.424 3.602 30 20 CHED COc1ccc(C=NNc2c(F)cccc2F)cc1F 735614739 AFCFWFGYRZOYJV-UHFFFAOYSA-N 280.249 3.559 30 20 CHED COC(=O)c1cc(NN=C2CCC[C@@H]2CCF)ccc1F 835010759 AGLFCIPPHYHKLF-SNVBAGLBSA-N 296.317 3.540 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(OC)ccc1Cl 582098297 OCVRKTMDFRUKGO-UHFFFAOYSA-N 290.750 3.588 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CCCN(C)CC1 737766360 GKEWSAQCRBMPLV-ACCUITESSA-N 294.483 3.847 30 20 CHED C=C(CNC(=O)CCc1ccc(F)cc1)c1ccccc1 672481907 HHTFBMQEUBIPIG-UHFFFAOYSA-N 283.346 3.588 30 20 CHED C=CCC1(C(=O)Nc2n[nH]c(C)c2Cl)CCCCC1 830754819 LJCAQPQJYGRXLV-UHFFFAOYSA-N 281.787 3.837 30 20 CHED C[C@H](C#N)C(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1 836813250 WIHWCZMXSSEXLA-MRVPVSSYSA-N 298.358 3.954 30 20 CHED CC1CC(C(=O)OC[C@@H](C)C#N)(c2cccc(Cl)c2)C1 835238687 QGEDNCSVXRWIPB-BGMSHATGSA-N 291.778 3.711 30 20 CHED CC(C)COc1cccc(C(=O)OCCCCC#N)c1 914621174 IPDNUJLWUZKJOG-UHFFFAOYSA-N 275.348 3.572 30 20 CHED CCC(=NNc1cc(C(F)(F)F)ccn1)C1CC1 834984749 YGVZUOWCXHKFIH-UHFFFAOYSA-N 257.259 3.688 30 20 CHED N#C[C@H](c1ccccc1)N1CCCO[C@@H](c2ccccc2)C1 595300264 OGEXOUYPRRWXSC-RTBURBONSA-N 292.382 3.715 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)OC/C(Cl)=C\Cl)c1 840607473 ZOTIPQLKOZPDBB-OAIDTJHVSA-N 296.153 3.524 30 20 CHED Cc1cc(-c2cccc(CO[C@H]3CCOC3)c2)ccc1C#N 593952393 KPQQGOAAJCQGRY-IBGZPJMESA-N 293.366 3.839 30 20 CHED O=C(NO)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918554748 ZGLORAVDBXIMEX-UHFFFAOYSA-N 288.155 3.841 30 20 CHED C=C[C@@H](C)ON=C(C)c1nc2cc(Cl)ccc2n1C 844621689 LEBAAWBSJNMCHC-SECBINFHSA-N 277.755 3.542 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(-c2ncco2)cc1C 848119638 VNPNBLNGOIDSTI-UHFFFAOYSA-N 282.343 3.638 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H]1CCC[C@H]1c1ccccc1 840847156 LKLFWCVMTLZBQI-JKSUJKDBSA-N 288.460 3.705 30 20 CHED CC(=NNc1ncccn1)c1cc2cc(Cl)ccc2o1 912974203 OHJLVLYEINLCAZ-UHFFFAOYSA-N 286.722 3.712 30 20 CHED C=CCN(C(=O)N[C@@H](C)Cc1ccccc1C)C(C)C 918082058 YLSIPVHXMXEZBO-HNNXBMFYSA-N 274.408 3.532 30 20 CHED C=C[C@@H](CC(=O)N(CC)CCSC)c1ccccc1 592737593 POUNVPKLEKEJRP-AWEZNQCLSA-N 277.433 3.558 30 20 CHED C=C(Br)CN1CCC[C@@](C)(CCC)C1 743872641 WSQJMVDHYCWCPZ-GFCCVEGCSA-N 260.219 3.797 30 20 CHED CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1CC1CCCCC1 598588663 APYYTMDCNUSQKJ-IAGOWNOFSA-N 292.467 3.722 30 20 CHED C#CCN(C(=O)NC[C@@H]1CCCC[C@H]1C)C1CCCCC1 744857145 HTPRHXZOIVDLRT-CVEARBPZSA-N 290.451 3.790 30 20 CHED COc1cccc(CN(CC#N)C2CCCC2)c1Cl 595327916 FKCZFYXDLLOVEV-UHFFFAOYSA-N 278.783 3.617 30 20 CHED CC/C(C)=C/C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 847046540 ZJLBAVRQFFDDPQ-SICOMBFOSA-N 270.376 3.628 30 20 CHED C/C(=C/c1ccco1)C(=O)Nc1sc2c(c1C#N)CCC2 846769106 WKXCZYQIYGUMLO-NTMALXAHSA-N 298.367 3.743 30 20 CHED CC(=NNc1cc(C)nc(C)n1)[C@H](C)c1ccccc1 746369573 WSVLIFLXGWEZCG-LBPRGKRZSA-N 268.364 3.685 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1cccc(C#N)c1F 849845358 ADZLHACNSUYFLJ-OAHLLOKOSA-N 281.302 3.659 30 20 CHED CC[C@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CC1(C)C 594048888 LVSLMZCZKNFQLY-XKQJLSEDSA-N 298.430 3.678 30 20 CHED Cc1ccc(CCNCc2ccc(C#N)cc2)cc1C 594972616 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CC(=NNc1ccnc(F)c1)c1ccccc1Cl 781132265 AGFIQOMZPTZSRP-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C=CCCCCCOC(=O)c1cnc2ccccc2n1 782085915 FUEYDDDHFRUMKS-UHFFFAOYSA-N 270.332 3.533 30 20 CHED CCOc1ccc(C=Nc2cc(CO)c(C)cc2C)c(O)c1 787142885 XPLYZPTUHDZFCT-UHFFFAOYSA-N 299.370 3.651 30 20 CHED C=CCC(C)(C)CNC(=O)N(Cc1ccoc1)C1CC1 895044907 ZXMWPSPCKARMNA-UHFFFAOYSA-N 276.380 3.556 30 20 CHED CCc1oc2ccccc2c1C=NNc1ccnc(F)c1 781127596 OKRJFMIQMIPRJF-UHFFFAOYSA-N 283.306 3.975 30 20 CHED COc1cccc(C(=O)/C=C\c2cn3cc(C)ccc3n2)c1 789126203 CWWLHTNDDQGGHU-FPLPWBNLSA-N 292.338 3.547 30 20 CHED CC(C)CC(=NN[C@H]1CCOC(C)(C)C1)c1ccccc1 780252282 HNCOZRCKXUOAEZ-INIZCTEOSA-N 288.435 3.984 30 20 CHED N#CCC1(COc2c(F)cccc2Br)CC1 600680543 URIMXNSAQRVDAJ-UHFFFAOYSA-N 284.128 3.661 30 20 CHED C=CC1CCN(CCOc2cc(C)ccc2C)CC1 600683400 WQOADWVABLJTSA-UHFFFAOYSA-N 259.393 3.580 30 20 CHED CCCCCCC[C@@H](C)NC[C@H]1CCCN(C(C)=O)C1 793290373 FYAQPVGDQIDQSE-NVXWUHKLSA-N 282.472 3.584 30 20 CHED CC[C@H](C)CON=Cc1c(C(C)C)nn(C)c1Cl 793160495 VAWJMZITOFKXID-JTQLQIEISA-N 271.792 3.594 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1sccc1-c1ccccc1 706390448 UVNJLUHSEZVCSX-LBPRGKRZSA-N 284.384 3.789 30 20 CHED C[C@]1(C=NNc2ccc(C#N)c(Cl)c2)CCCS1 793040662 IBNJITIHZVRTLZ-CYBMUJFWSA-N 279.796 3.895 30 20 CHED Cc1cccc(NC(=O)Nc2cc(F)cc(C#N)c2)c1C 1202700978 IUIDTWPVRQMDLF-UHFFFAOYSA-N 283.306 3.958 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C)c(C#N)c2)c1 799331771 LAFKFDBLTFDONS-UHFFFAOYSA-N 288.350 3.515 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C(/C)Cc1ccccc1OC 798554554 RBZMEGFUYQEOQK-FIPLFPIMSA-N 287.403 3.655 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc([C@@H](C)SCC)no2)C1 595659131 KYNKZKLDVCGZDZ-CHWSQXEVSA-N 295.452 3.672 30 20 CHED CC[C@H](NC(=O)c1ccc(C)c(C#N)c1)c1nc(C)cs1 799333414 SGMHESOQKKCYIR-AWEZNQCLSA-N 299.399 3.513 30 20 CHED COC(=O)c1ccccc1NN=Cc1ccsc1Cl 790169763 AHZWDKQVBNVGBH-UHFFFAOYSA-N 294.763 3.634 30 20 CHED CC[C@@H](C)NN=Cc1cc(Cl)ccc1Br 790184444 VTBRTADQRPHVPW-MRVPVSSYSA-N 289.604 3.825 30 20 CHED C=CC[C@H](NCc1cnc(C(C)(C)C)nc1)c1ccncc1 793584455 QGFQUXOXVXWUSM-INIZCTEOSA-N 296.418 3.576 30 20 CHED C=CCC1(C(=O)OCc2ccc(CF)cc2)CCC1 791560126 FUNYEYAFQICDLP-UHFFFAOYSA-N 262.324 3.946 30 20 CHED Cc1cccnc1NN=Cc1cnc(-c2ccccc2)s1 790192872 IMIURMZAYRHZMH-UHFFFAOYSA-N 294.383 3.960 30 20 CHED N#Cc1cc(NCc2cncs2)ccc1OC(F)(F)F 799348504 UFCCVWGQJIRYHP-UHFFFAOYSA-N 299.277 3.525 30 20 CHED CSc1ccccc1N(C)C(=O)c1ccc(C)c(C#N)c1 799346544 NGLFRRFPMZMQFW-UHFFFAOYSA-N 296.395 3.865 30 20 CHED Cc1cccnc1NN=C1CCN(C2CCCCC2)CC1 790184744 BGWBDYIMVJWPHS-UHFFFAOYSA-N 286.423 3.586 30 20 CHED CC(C)(CCC#N)CN1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 793615304 OLGVALJZRQZCKS-DGCLKSJQSA-N 289.250 3.832 30 20 CHED COc1ccc(CN(CCC#N)CC(C)(C)C)c(F)c1 576523736 OZYCQBLRPYARRW-UHFFFAOYSA-N 278.371 3.596 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)CC(F)(F)C(F)F 733898246 GVMPGBPETCKRAC-UHFFFAOYSA-N 288.288 3.669 30 20 CHED C#CCCCCNCc1ccc(C(F)(F)F)s1 758388908 RJSCCHYMONTHIH-UHFFFAOYSA-N 261.312 3.660 30 20 CHED COc1ccc(O)c(CNc2ccc(Cl)cc2C#N)c1 695743894 JCGLKSVMYOEKPA-UHFFFAOYSA-N 288.734 3.538 30 20 CHED Cc1[nH]nc(NCc2ccc(-c3ccccc3)cc2)c1C#N 1308428662 JZPNQAKWYIWCDK-UHFFFAOYSA-N 288.354 3.869 30 20 CHED COc1ncc(-c2ccc(C3(C#N)CCCCC3)cc2)cn1 1239847602 MKUZOOWNRCBXTR-UHFFFAOYSA-N 293.370 3.878 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1c(C)noc1C)C2=O 1318058367 VCMNYEIPMGJLQX-NTUHNPAUSA-N 283.327 3.567 30 20 CHED CC(C)(Cc1ccccc1)C(=O)OCc1ccc(C#N)s1 1327712296 XTSJGMGAYXKOOP-UHFFFAOYSA-N 299.395 3.932 30 20 CHED CC1(C)CC=C(C(=O)Nc2ccc(OCC#N)cc2)CC1 1324581199 UVJUJFHCCHHOBZ-UHFFFAOYSA-N 284.359 3.664 30 20 CHED COCC(C)(C)C=NNc1ccc(C)c(Cl)c1 1326320931 YOWUGZKYRRQRAG-UHFFFAOYSA-N 254.761 3.719 30 20 CHED CC[C@H](C)c1nnc(-c2cnc(C(F)(F)F)c(C#N)c2)o1 1329149743 VFXYVICVKIDLPM-ZETCQYMHSA-N 296.252 3.536 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)c1ccc(Cl)cc1 1321618456 IVBHFZDIJIKREB-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1ccc(NN=Cc2cnc(C3CCCC3)s2)nc1 1337006170 DZJGVQMLXZEWAR-UHFFFAOYSA-N 297.387 3.513 30 20 CHED C[C@@H](CC(=O)N[C@H](C#N)C1CCCC1)c1ccc(F)cc1 1331978835 JEWKGFYSQUXRMJ-BLLLJJGKSA-N 288.366 3.518 30 20 CHED CC(C)(C)OCc1ccccc1NCc1cccc(C#N)n1 1333809499 NPQIDFVTVMRCKT-UHFFFAOYSA-N 295.386 3.880 30 20 CHED CCc1ccc(C(=O)OCCCSCC#N)cc1CC 1346206349 MBXVVIYLSKOLEP-UHFFFAOYSA-N 291.416 3.615 30 20 CHED CCc1ccc(CCC(=O)[C@H](C#N)c2cccc(F)n2)cc1 1342557161 DDEKXUIVKQOHDU-OAHLLOKOSA-N 296.345 3.592 30 20 CHED CCC[C@H](OC)C(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1348798343 JJCNQONSJXHMCO-DYEKYZERSA-N 295.404 3.697 30 20 CHED CCC(CC)N(CC)C(=O)Nc1sccc1C#N 1341892176 BBTQLAFRIHQXJN-UHFFFAOYSA-N 265.382 3.662 30 20 CHED CC(C)(c1ccccc1)c1nnc(C2(C#N)CCCC2)o1 1341553054 MXJWGDZINPKLOL-UHFFFAOYSA-N 281.359 3.731 30 20 CHED C[C@H](C(=O)O[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 1343385124 IURLIUJILWNQAJ-COPLHBTASA-N 277.751 3.679 30 20 CHED C#CCC1(C(=O)N2CC[C@H]3CCCC[C@H]3C2)CCCCC1 1343481566 QEIRLLAYJORIRU-SJORKVTESA-N 287.447 3.999 30 20 CHED N#CC1(OC(=O)c2ccc(Cl)c3occc23)CCC1 1344387546 SRXRYZNXGYWGSW-UHFFFAOYSA-N 275.691 3.689 30 20 CHED N#CC[C@H](C(=O)N1CC[C@H](C2CCCC2)C1)c1ccccc1 1276568340 WDCQNMIUKKHTRA-ROUUACIJSA-N 296.414 3.723 30 20 CHED CC(C)c1nc(C(=O)O[C@H](CC#N)c2ccco2)cs1 1350311247 JASFQALNLQPTCN-GFCCVEGCSA-N 290.344 3.671 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)CCCC(=O)c1ccccc1 1516904757 LOLAXFDODHIXJS-OAHLLOKOSA-N 287.359 3.521 30 20 CHED C=C(CC)C(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 1519812178 NFMHMLBJYJXQLQ-GFCCVEGCSA-N 278.421 3.508 30 20 CHED Cc1scc(C(=O)O[C@H](CC#N)c2ccco2)c1C 1520425218 LKMDIYVSNLCUDY-CYBMUJFWSA-N 275.329 3.770 30 20 CHED CC(C)(C)C[C@H]1CCN(Cc2ccc(C#N)s2)C1 1460258455 QXFXWODZDISBAH-GFCCVEGCSA-N 262.422 3.878 30 20 CHED N#Cc1ccc([C@@H](Sc2cccc(F)c2)C(=O)O)cc1 1601099301 LQVWJLGICAHBTP-CQSZACIVSA-N 287.315 3.615 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2c(F)cccc2Cl)o1 1610824515 ZEHINLBRHAKUCV-XQRVVYSFSA-N 294.665 3.666 30 20 CHED CCC(CC)CN(Cc1ccc(C#N)cc1)C1CC1 1473304142 IGHZMOIFPWJQFZ-UHFFFAOYSA-N 256.393 3.959 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCc2ccc(C#N)cc2)n1 1473047598 CEULULOAAGRPLD-UHFFFAOYSA-N 291.354 3.701 30 20 CHED Cc1ccc(CSc2cc(C#N)ccn2)cc1F 1640854000 DMTNQOWELAYTQP-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CC[C@H]1CCCC[C@H]1CNc1cc(C)c(C#N)cn1 1651897131 MNNVYNZHIUHRLO-KBPBESRZSA-N 257.381 3.890 30 20 CHED CCCCCCCCCC(=O)NC[C@@H]1CCC[C@H](O)C1 122667191 MDQPHSZPEZCJGX-CVEARBPZSA-N 283.456 3.794 30 20 CHED CC[C@@H]1C[C@H]1Nc1c(C#N)cnc2c(Cl)cccc12 1651012695 NXEDEQFVQJTPSF-NOZJJQNGSA-N 271.751 3.970 30 20 CHED CS[C@H]1CCC[C@@H](Nc2cc(C)cc(C#N)c2)C1 1651210851 RWMCNTITWVDPMD-HIFRSBDPSA-N 260.406 3.953 30 20 CHED Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCCC(C)(C)C1 1583955692 IHAPEIDLXPIVMH-CQSZACIVSA-N 284.403 3.813 30 20 CHED CC(CC(C)(C)CC(=O)O)=NNc1cccc2cnccc12 1592445041 VQMVTUKOLYIVFP-UHFFFAOYSA-N 299.374 3.914 30 20 CHED O=C(O)c1cc(NN=C/C=C/c2ccccc2)ccc1F 1776064238 DVILDSCBUSJICA-ONUNCVQHSA-N 284.290 3.635 30 20 CHED CC(=NOCC1CC1)c1sc2ccccc2c1C(=O)O 1776065624 QAZIMGNEZDPXJU-UHFFFAOYSA-N 289.356 3.750 30 20 CHED Cc1ccc(C(=O)OCc2cccc(C#N)c2)c(C)c1 5780665 CGOGBOLYHSABLU-UHFFFAOYSA-N 265.312 3.532 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(C)c1Br 158201029 VVOYTIUVFACNRM-UHFFFAOYSA-N 296.208 3.796 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)Cc2ccccc2F)cc1 160727321 QJNVQNLAELMKDF-CQSZACIVSA-N 298.361 3.749 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCCc1c[nH]c2ccccc12 151313337 RPDYNGAUZUBHJQ-ZIAGYGMSSA-N 256.393 3.901 30 20 CHED CC[C@H](S[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 156596432 GBTGJIZNKGJUTR-HIFRSBDPSA-N 290.432 3.631 30 20 CHED C=CCCC(=O)Nc1cccc(-c2nc(C)co2)c1 154756470 ZTOWECGBSZDREF-UHFFFAOYSA-N 256.305 3.555 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(C)s2)c1 834902218 FQIUDAJVBGZRRU-CYBMUJFWSA-N 255.386 3.889 30 20 CHED N#Cc1ccccc1NCc1ccccc1Br 19921861 IQVCMPGQMSDGDQ-UHFFFAOYSA-N 287.160 3.933 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1F)c1cccs1 127635481 HTSJWTLSKIFQDX-UHFFFAOYSA-N 288.391 3.826 30 20 CHED Cc1cc(C)cc(CN2CCc3c(C#N)cccc32)c1 1195315931 VQTCPIKSVMNQNP-UHFFFAOYSA-N 262.356 3.738 30 20 CHED CCN(C[C@@H](C)C#N)c1ncc(C(F)(F)F)cc1Cl 42449997 SYWXUHRFFQMYGI-QMMMGPOBSA-N 291.704 3.740 30 20 CHED CC#CCN[C@@H](C)C(c1ccccc1)c1ccccc1 163614573 TWAIJSZKBZFQGZ-INIZCTEOSA-N 263.384 3.820 30 20 CHED CCCc1ccc(C(=O)NC2(C#N)CCCCC2)cc1 63091986 YLXWJPRVWBLRDL-UHFFFAOYSA-N 270.376 3.595 30 20 CHED CC(C)O[C@@H]1CCCN(c2cccc(Cl)c2C#N)C1 404697784 TZHAGHHMZVVHIO-GFCCVEGCSA-N 278.783 3.605 30 20 CHED N#Cc1cc(CNC2(C(F)F)CCCCC2)ccc1F 510082013 CBMSPXRPQVZKCA-UHFFFAOYSA-N 282.309 3.755 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]1CCO 311379650 XBIXSSVAISJWLW-OAHLLOKOSA-N 269.429 3.501 30 20 CHED N#Cc1cc(F)cc(OC[C@@H]2CCCC(F)(F)C2)c1 311847977 IBQUOMYAFVLSSR-SNVBAGLBSA-N 269.266 3.902 30 20 CHED Cc1ccc(CNc2nc(C)c(C#N)cc2Cl)cc1 312018345 YBPDHZBXEVCQNO-UHFFFAOYSA-N 271.751 3.836 30 20 CHED CC[C@@H](COc1cc(F)cc(C#N)c1)CC(F)F 594897926 XOVUCOVGFYIZQY-SECBINFHSA-N 257.255 3.758 30 20 CHED C=CC[C@@H](CC)Nc1c(F)cc([N+](=O)[O-])cc1F 393735462 BFPVXMCQNLOWQQ-MRVPVSSYSA-N 256.252 3.640 30 20 CHED C#C[C@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 810100110 XGFGUKJDWFMCBE-LBPRGKRZSA-N 265.740 3.539 30 20 CHED Cc1ccc(OCCCC(=O)Nc2cccc(C#N)c2)cc1 6287482 IPXIMECDWIUYNA-UHFFFAOYSA-N 294.354 3.664 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCCCCC1 7994260 ULTPJUZAYMUCRJ-OCCSQVGLSA-N 281.469 3.739 30 20 CHED CCCCCCC[C@@H](C)NCCc1nnc2ccccn12 59090167 KBGHSOBAQWFTOV-OAHLLOKOSA-N 288.439 3.610 30 20 CHED C=CCn1c(SCC(=O)C(C)(C)C)nc2ccccc21 57805948 SNRAZRNACCNUGH-UHFFFAOYSA-N 288.416 3.930 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1cccc(OC)c1 116972185 MQSYILRLYUVWGG-BBRMVZONSA-N 288.391 3.506 30 20 CHED C=CCN(C(=O)c1cccc(F)c1F)c1ccccc1 102225164 CLTRQMFAXMGZNM-UHFFFAOYSA-N 273.282 3.798 30 20 CHED C=CC[C@H](CC)NC(=O)c1sccc1Br 281143991 VLPFAJPYRGOSOI-QMMMGPOBSA-N 288.210 3.595 30 20 CHED C[C@@H](CCc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1O 22727115 WFBQPYSKLGBAAL-HTMJNSLASA-N 298.342 3.741 30 20 CHED N#Cc1ccsc1C(=O)N(C1CCCCC1)C1CC1 52030249 JWHFTVZKBKYIJB-UHFFFAOYSA-N 274.389 3.557 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N(CC)C[C@H](C)C#N 114318493 XAWJGIYJFIDOHU-UKRRQHHQSA-N 264.413 3.601 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCC2)c2cccnc2c1C 175322897 RXRCJBFCOXIGPJ-UHFFFAOYSA-N 293.370 3.874 30 20 CHED C#CCCCCC(=O)NCc1ccc(C)cc1SC 119992208 UPQBAGYBMDLDQP-UHFFFAOYSA-N 275.417 3.527 30 20 CHED C=CCCCC(=O)N1CCCc2cc(F)cc(F)c21 175652573 FTSPVBRORPQECX-UHFFFAOYSA-N 265.303 3.600 30 20 CHED C#CCCCCC(=O)NC[C@H](c1ccccc1)C(C)C 119591813 MCLMLEPITLGJEJ-KRWDZBQOSA-N 271.404 3.736 30 20 CHED C=CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 64248223 QNOLXVOWGQWGKH-UHFFFAOYSA-N 280.346 3.886 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(-c2nccs2)c1 117002680 SFOPXIHXMQNEGN-NSHDSACASA-N 287.388 3.896 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCC(F)(F)F 173245756 ARHJNPPPSZYGEO-UHFFFAOYSA-N 277.311 3.605 30 20 CHED CCCC[C@@H](CC)C(=O)N(CCC#N)CC(F)(F)F 361859870 TYHPOZIMNDVUML-LLVKDONJSA-N 278.318 3.507 30 20 CHED N#CCC[C@@H](Nc1nc(C2CC2)ns1)c1ccccc1 301815072 ZVQVJMGCPMPAGY-CYBMUJFWSA-N 284.388 3.872 30 20 CHED C=CC1CCN(C(=O)c2ccc(Cl)cc2F)CC1 110361788 APTJSOLJOAXPKU-UHFFFAOYSA-N 267.731 3.517 30 20 CHED Cc1cc(N2CCC(Cc3ccccc3)CC2)cc(C#N)n1 308276737 IIEJUAXRMAGJJF-UHFFFAOYSA-N 291.398 3.721 30 20 CHED N#Cc1cc(NC2CCCCC2)nc2ccc([N+](=O)[O-])cc12 301367629 SWZVMFIPLCDAQP-UHFFFAOYSA-N 296.330 3.759 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)C2(c3ccc(Cl)cc3)CC2)C1 179860118 IOBYZUDZTGYQQY-RISCZKNCSA-N 289.762 3.607 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 409722982 VFDWOJQTEXMZAI-MNOVXSKESA-N 285.309 3.890 30 20 CHED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)C2=CCCCCC2)c1 123602266 DLFVNXMRIRFMOI-INIZCTEOSA-N 296.370 3.533 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCc1cccs1 60678139 RHWJWUFEDCHMIB-UHFFFAOYSA-N 291.441 3.957 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccs1 120488901 QCVVIDXREMYAHE-OAHLLOKOSA-N 298.411 3.965 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(F)c1 36832545 GRBDFPCMIPWQDU-INIZCTEOSA-N 282.318 3.578 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1F 213187288 OVKVPMQKWWOKBG-ALCCZGGFSA-N 281.286 3.602 30 20 CHED C[C@H](N[C@H](C)Cc1ccccc1F)c1cccc(C#N)c1 181553093 VCDUWQSLZKEPKH-KGLIPLIRSA-N 282.362 3.979 30 20 CHED C[C@@H]1SCCN(CCC2(C#N)CCCCC2)[C@@H]1C 411282118 WYFDXTHQQXTBKP-KGLIPLIRSA-N 266.454 3.676 30 20 CHED CC[C@H](C#N)Nc1cccc(NC(=O)c2ccccc2)c1C 122211924 PAOMKWDRBCOOGS-OAHLLOKOSA-N 293.370 3.961 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 122884535 PPSSOYWTPZGCTR-SJORKVTESA-N 299.418 3.668 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 505314828 RAGRCUDEEFHSFL-WFASDCNBSA-N 290.794 3.910 30 20 CHED Cc1cc(CNCc2cscc2C)ccc1C#N 487175627 SWFVTIRWSUZIEY-UHFFFAOYSA-N 256.374 3.526 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC2(CCOCC2)c2ccccc21 189852290 MWCZMWNPNGAGMW-HNNXBMFYSA-N 299.414 3.684 30 20 CHED CN(Cc1ccc(F)cc1C#N)C1CCCCCC1 489569331 TWRBDOHYEPPYPP-UHFFFAOYSA-N 260.356 3.852 30 20 CHED C=CCN(C)Cc1cc(-c2ccc(Cl)cc2)no1 121406115 DKIWHCFQPWXULM-UHFFFAOYSA-N 262.740 3.613 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(Cl)nc1 121235041 SYAALKPIRFRUOA-FNORWQNLSA-N 297.745 3.567 30 20 CHED N#CCCN[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 414450146 WMJIDMJVMTVKRX-DZGCQCFKSA-N 262.784 3.869 30 20 CHED COc1ccc(CC[C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 185803497 IBKJHQTWQPHECL-XIRDDKMYSA-N 286.419 3.688 30 20 CHED Cc1cscc1NC(=O)N(CCC#N)Cc1ccco1 124147708 YAPZTLIPCKDQOW-UHFFFAOYSA-N 289.360 3.597 30 20 CHED CC(C)(C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CCC1 410641013 KLZQUGNZAVNPRV-AWEZNQCLSA-N 290.794 3.847 30 20 CHED CCOc1ccc(C#N)cc1NCc1cnn(C(C)(C)C)c1 181416529 RXMGUHQLGHECBR-UHFFFAOYSA-N 298.390 3.521 30 20 CHED Cc1ccccc1[C@H](C)NC(=O)c1cccc(C#N)c1C 509032491 XSLRYDVHVGWDJD-AWEZNQCLSA-N 278.355 3.666 30 20 CHED CC[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1CC1(C)C 416744871 YQLAKHUQCUOGDD-JKSUJKDBSA-N 299.418 3.524 30 20 CHED N#Cc1ccc(NC(=O)NCc2cc3ccccc3o2)cc1 79558239 VFLKRADIYNYYEU-UHFFFAOYSA-N 291.310 3.626 30 20 CHED Cc1ccc([C@@H](C)NC(=O)C2(C#N)CCCCC2)cc1 44385822 QSOXNZPKUHRMHR-CQSZACIVSA-N 270.376 3.646 30 20 CHED C[C@@H]1CCc2c(C(=O)[C@@H](C#N)c3ccccn3)csc2C1 72590934 DNDKCPUJRVPEPP-YPMHNXCESA-N 296.395 3.758 30 20 CHED C[C@@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc(C#N)cc1 411452088 OSRANMPWQYLGEI-UUWFMWQGSA-N 280.346 3.904 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](CC)CC(F)(F)F 412655335 KXVSHSJKWPUNKN-PWSUYJOCSA-N 265.319 3.684 30 20 CHED N#CC1(CCN[C@H](CCO)c2ccccc2)CCCCC1 411442129 GEAZZFVTFFNYGM-QGZVFWFLSA-N 286.419 3.564 30 20 CHED CSc1cc(NC(=O)N(C)[C@H](C)CC#N)ccc1Cl 417293337 JKAJYHILHABHJA-SECBINFHSA-N 297.811 3.828 30 20 CHED C=CCN(CC=C)C(=O)/C=C/c1ccc(Cl)s1 192933879 VPHDCQVUHGQMSA-SOFGYWHQSA-N 267.781 3.615 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(F)ccc1OCC1CC1 191768722 VIOZSSRNULCEMO-LLVKDONJSA-N 292.354 3.701 30 20 CHED COc1cccc2c1CC/C(=C/c1cccc(C#N)c1)C2=O 194593879 RQTAVWFMDGZTFK-PTNGSMBKSA-N 289.334 3.779 30 20 CHED CC[C@H](CC#N)N[C@@H](C)c1ccc(Br)cc1 49525847 OAEBAXFGVIVVQU-GXFFZTMASA-N 281.197 3.792 30 20 CHED O/C(=N/[C@@H]1CCCc2occc21)c1cccnc1C1CC1 329619468 FFMYHJRZMYBLFZ-CQSZACIVSA-N 282.343 3.934 30 20 CHED C#CCCCCNC(=O)N(CC(C)C)CC(C)(C)C 132304809 WJELCGVCHXDGJN-UHFFFAOYSA-N 266.429 3.504 30 20 CHED CCCCCCCCC[S@@](=O)C[C@@H]1CCCO1 191644037 XLKFSMNALXFBIT-WMLDXEAASA-N 260.443 3.665 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1O 134928908 BTQUZMHPZCWUIJ-JGVFFNPUSA-N 260.164 3.924 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](OC)c1ccccc1F 424760784 VSGSISLDZCBHAT-DOMZBBRYSA-N 293.382 3.620 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cc2ccccc2o1 135157904 GQBGAEHKGMNVKX-UHFFFAOYSA-N 280.258 3.696 30 20 CHED C[C@@H](NC(=O)NCCCCC#N)c1c(F)cccc1Cl 81492607 ZOKPYCISISNNBO-SNVBAGLBSA-N 297.761 3.533 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc(O)cc2)c1 44012713 ZYGKZRKYQPVSCM-IZZDOVSWSA-N 268.312 3.687 30 20 CHED CCc1ccnc(C/N=C(/O)NC2(C)CCC(C)CC2)c1 331252841 QSZLDPUWQUGMKL-UHFFFAOYSA-N 289.423 3.616 30 20 CHED C=CC[C@@H](C)N[C@H]1CCSc2c(F)cccc21 163316778 YPKHDZPUEXFABG-MFKMUULPSA-N 251.370 3.917 30 20 CHED C=C1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 513503811 YRLPGJHZGBAEPG-UHFFFAOYSA-N 274.364 3.870 30 20 CHED CCc1ccc(CC)c(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 425646583 CAAKEIHMJJKGMK-DZGCQCFKSA-N 285.391 3.625 30 20 CHED Cc1cc(C)c2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 424329606 PPEGNFZXPXVVAW-UXLLHSPISA-N 284.403 3.799 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC(C1CCC1)C1CCC1 511628076 MJDNVZQMBRSVCX-HNNXBMFYSA-N 276.424 3.705 30 20 CHED Cc1ccc(-n2cc(N[C@H]3CCC[C@@H](C#N)C3)cn2)c(C)c1 193336805 OKTIDFWJWXNFNL-CVEARBPZSA-N 294.402 3.983 30 20 CHED CC1(CC(=O)N[C@@H](C#N)C2CCCCC2)CCCCC1 512619546 ONCDORSRAHHSDY-HNNXBMFYSA-N 276.424 3.936 30 20 CHED C[C@H]1CC(C)(C)CN1C(=O)c1cccc(SCC#N)c1 335220728 DBCDNGXJDGJATL-LBPRGKRZSA-N 288.416 3.563 30 20 CHED Cc1oc2ccccc2c1CN[C@H]1CCC[C@H](C#N)C1 193296724 BCBLOIPNZSWADB-KBPBESRZSA-N 268.360 3.913 30 20 CHED CCSCC[C@H](C)N(C)CCCC1(C#N)CCOCC1 337183118 NLBDIJBTOSNJHE-HNNXBMFYSA-N 298.496 3.550 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 333253363 YVMZVLJHUFSZMA-IIDMSEBBSA-N 288.435 3.791 30 20 CHED CCC1(C)CCN(CCCC2(C#N)CCOCC2)CC1 337133593 KZZUCMLJNYTDMI-UHFFFAOYSA-N 278.440 3.599 30 20 CHED N#CC1(CNC(=O)Nc2cccc3ccccc23)CCC1 334919051 RQQIHZFAUFJWEB-UHFFFAOYSA-N 279.343 3.655 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@](C)(C#N)CC(C)C)s1 330472551 AQRBOEUWBGVZCP-AWEZNQCLSA-N 279.409 3.647 30 20 CHED N#Cc1c(F)cccc1Sc1cccc(C(=N)O)c1 336026731 YINVHXJMXOGVEW-UHFFFAOYSA-N 272.304 3.732 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)C(C2CCC2)C2CCC2)C1 332870620 AGVYOWNLMGJUPK-UGSOOPFHSA-N 288.435 3.791 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(F)cc2C#N)C1 331216139 OXJGOJGTZGXIMT-VXGBXAGGSA-N 274.339 3.852 30 20 CHED CC#CCSc1nnc(Cc2c(F)cccc2Cl)o1 97599533 CFJGJVFSRSTJCM-UHFFFAOYSA-N 296.754 3.568 30 20 CHED Cc1cccc(/C(O)=N/[C@@](C)(C#N)CC(C)C)c1F 330483815 VPRLKSPMBZAXIT-OAHLLOKOSA-N 262.328 3.767 30 20 CHED Cc1ccsc1CN(C)C(=O)Nc1cccc(C#N)c1C 335845032 HWZFWJAARCLAIF-UHFFFAOYSA-N 299.399 3.901 30 20 CHED C[C@]1(CCc2ccccc2)CCN(c2ccc(C#N)cn2)C1 433655913 ZKKOCAKNBREDAM-IBGZPJMESA-N 291.398 3.802 30 20 CHED Cc1ccccc1-c1nnc(S[C@@H]2CC[C@@H](C#N)C2)o1 336600268 QZFMFBBGICUAFU-VXGBXAGGSA-N 285.372 3.829 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)C(F)F)cc1F 433053391 QBIXUAJXLWDJOM-OAHLLOKOSA-N 290.288 3.793 30 20 CHED Cc1ccc(N=C(O)N2C[C@H]3CCC[C@@H]32)cc1-c1ncco1 330136961 UPDQYIXUESOJDC-DOMZBBRYSA-N 297.358 3.680 30 20 CHED COc1cccc([C@H](C)/N=C(/O)NC2(C)CCCCC2)c1 330792313 DHVSVNGSQYZPAO-ZDUSSCGKSA-N 290.407 3.983 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc2ccccc2s1 435743641 SZOQNVOXEZYDNV-PBHICJAKSA-N 287.428 3.972 30 20 CHED C=CCOc1ccccc1CNC1CCC(F)(F)CC1 534904159 OBJQMPRQPLSRDO-UHFFFAOYSA-N 281.346 3.919 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCCS1 341112606 FWJJIRSONSEXGV-HNNXBMFYSA-N 293.407 3.626 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1cccc(C)c1C 528586378 OQFJOPRELXYQHC-CQSZACIVSA-N 272.392 3.811 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1cc(C#N)ccn1 341729934 NKYSZCZLUZUCTK-AWEZNQCLSA-N 281.359 3.980 30 20 CHED COc1ccc(C#N)cc1CN1C[C@@H](C)CCC[C@@H]1C 438060572 HWWNFFKXMFZGIC-KBPBESRZSA-N 272.392 3.577 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc2cccnc12 432323685 FVBQJXRTZIVPDK-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#CCCCNC1(c2cccc(C(F)(F)F)c2)CC1 343048463 PAFHKZOUPXOEBL-UHFFFAOYSA-N 268.282 3.588 30 20 CHED C=CCCCCCN(C)CC(=O)N(CC)c1ccccc1 524609185 LYHUTZPHMSBSGO-UHFFFAOYSA-N 288.435 3.718 30 20 CHED N#Cc1csc(CN2CCC(CC(F)(F)F)CC2)c1 342839419 MTVUJJXVIBZWKS-UHFFFAOYSA-N 288.338 3.784 30 20 CHED N#CC1(N(C(=O)[C@H]2CCCc3ccccc32)C2CC2)CCC1 341625072 YEYYGJBGUDEWSW-KRWDZBQOSA-N 294.398 3.544 30 20 CHED C=CCSCCN[C@H](C)c1cc(Cl)ccc1OC 543754937 UHFCLNXXWASWIG-LLVKDONJSA-N 285.840 3.918 30 20 CHED Cc1ncsc1/C=C1/CCc2cc(F)ccc2C1=O 255393885 FGSBASRAQKDLIY-XFFZJAGNSA-N 273.332 3.803 30 20 CHED CCCCCCCCCN[C@@H](C)c1nccn1C 182236361 SHUHPCIVSGQHDB-AWEZNQCLSA-N 251.418 3.821 30 20 CHED CC[C@H](C)[C@H](/N=C\c1ccccc1O)C(=O)OC(C)(C)C 255887114 LJVRTOYSUFJAIL-VQXQQFEBSA-N 291.391 3.568 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](CC)c1ccc(OC)cc1 346144564 ZKAAUVHSAAGBSK-HOCLYGCPSA-N 290.407 3.800 30 20 CHED N#C[C@@H](C(=O)/C=C\Sc1ccccc1)c1ccccn1 255848354 XAMJAAMOHDTVIC-RBJHHQRMSA-N 280.352 3.564 30 20 CHED CC[C@H](CN[C@@H]1CC[C@H](C#N)C1)Oc1cccc(Cl)c1 442844426 LREKEYQSGSBEFI-NWANDNLSSA-N 292.810 3.779 30 20 CHED N#CCCCCCc1nc([C@H]2Cc3ccc(F)cc32)no1 601393196 CDIMYBLVNGJRCA-AWEZNQCLSA-N 285.322 3.523 30 20 CHED Cn1cc(/C=C\C(=O)c2cccc(-c3ccccc3)c2)cn1 255386620 YMTUWRSSGRQKMS-KHPPLWFESA-N 288.350 3.983 30 20 CHED C=C(C)COCCNCc1cc(OC)c2ccccc2c1 449181638 ATUBJQFZVTUZPY-UHFFFAOYSA-N 285.387 3.531 30 20 CHED COc1cc(/C=C\C(=O)c2ccsc2)cc(OC)c1 255334570 BVQZJVUKSXIBJS-ARJAWSKDSA-N 274.341 3.661 30 20 CHED CC1(C)CN(C(=O)c2ccc(F)c(C#N)c2)CC(C)(C)C1 354764607 DXPKQNHPJJBIHI-UHFFFAOYSA-N 288.366 3.596 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 537185612 LFIHFMHUTJCGAT-KGLIPLIRSA-N 285.391 3.663 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 359419524 RFUNCGVDGHDROB-JKSUJKDBSA-N 296.414 3.904 30 20 CHED N#CC[C@@H](CC(=O)Nc1cc(Cl)ccn1)c1ccccc1 355543804 MLJFTNDBYFVALA-ZDUSSCGKSA-N 299.761 3.761 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)CC(=O)c2cccs2)CC1 356522553 RXDUXUAFROUZRR-LBPRGKRZSA-N 291.416 3.572 30 20 CHED Cc1cscc1-c1noc(-c2cccc(CC#N)c2)n1 445624205 PJVMUDGSUSHFTO-UHFFFAOYSA-N 281.340 3.840 30 20 CHED C[C@@H]1COC[C@H](c2ccccc2)N1Cc1cccc(C#N)c1 354887917 XEWDSMKKZMMGNA-DNVCBOLYSA-N 292.382 3.520 30 20 CHED C=CCC1(C(=O)Nc2cc(Cl)ccn2)CCCC1 449828898 QPLYOTBGOPXICD-UHFFFAOYSA-N 264.756 3.810 30 20 CHED C=CCC1(CNCc2nc(C)cs2)CCCC1 449607953 ZXOIJUFQDFBJPP-UHFFFAOYSA-N 250.411 3.678 30 20 CHED CC(C)(C#N)CCCN1Cc2ccccc2C(F)(F)C1 610989812 LPVNHFHQQDXKRX-UHFFFAOYSA-N 278.346 3.924 30 20 CHED CC(C)(C)Cc1csc(NC(=O)C2(C#N)CCCC2)n1 538435404 PECHKBLGCCWZDY-UHFFFAOYSA-N 291.420 3.754 30 20 CHED C=CCCOCCCCc1nc([C@@H]2CCCS2)no1 357069980 IGNFNYXXZOQBNA-LBPRGKRZSA-N 282.409 3.553 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 619189628 DXULQSWCCCMHQY-SJORKVTESA-N 291.435 3.563 30 20 CHED CCN(Cc1cccc(Br)c1F)C[C@H](C)C#N 449018847 UQUFEKUDVTWHAT-SNVBAGLBSA-N 299.187 3.570 30 20 CHED C=CCCC1(C(=O)N2CC[C@H]2Cc2ccccc2)CC1 356293354 AMRHJRJYFFHOND-INIZCTEOSA-N 269.388 3.576 30 20 CHED CCN(CC#N)Cc1c(Cl)ccc(Cl)c1Cl 611264077 CGTYPAQVBBZWBZ-UHFFFAOYSA-N 277.582 3.992 30 20 CHED CCOc1ccc(N(CC)CCCSCC#N)cc1 266742725 QLULLBPHCJJVFR-UHFFFAOYSA-N 278.421 3.558 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(CCC(C)C)CCC(C)C 448660343 YDFAKYCHUNIDGW-UHFFFAOYSA-N 289.423 3.729 30 20 CHED C=C1CCN(C(=O)c2cc3cccc(C)c3o2)CC1 264478597 LBFTWGAPYISMNQ-UHFFFAOYSA-N 255.317 3.533 30 20 CHED C=C(C)[C@H](CC(=O)NCC[C@H]1CCCC[C@H]1C)OCC 535887615 FPGRKPPANOMYDV-OAGGEKHMSA-N 281.440 3.690 30 20 CHED CCN(C(=O)c1ccc(CC#N)cc1)c1ccccc1F 535418372 BACIUZUALCTQLN-UHFFFAOYSA-N 282.318 3.558 30 20 CHED C=C[C@@H](SCc1ccccc1C1CC1)C(=O)OC 619689298 AZHRTVPGZKVAEX-CQSZACIVSA-N 262.374 3.525 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N(C2CC2)C2(C#N)CCC2)C1(C)C 616175436 VOEPUQOZSCRWMH-CABCVRRESA-N 286.419 3.662 30 20 CHED CCC[C@](C)(CC)C(=O)N[C@H](C)c1cccc(C#N)c1 619438115 PQTPESKAASQHCT-DYVFJYSZSA-N 272.392 3.952 30 20 CHED CO[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 611394044 ZETTZVSEBFPIAZ-IRXDYDNUSA-N 286.419 3.586 30 20 CHED N#Cc1cc(Cl)ccc1SCc1ccccn1 610655158 RVYDXAXRRNPCMI-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C=CCCCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 456704997 RPAGQHUCVFEGOZ-MRXNPFEDSA-N 297.402 3.973 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC1CC1)C1CCCCC1)OCC 533675173 KBZZKFIQRXYCAR-QGZVFWFLSA-N 293.451 3.929 30 20 CHED C=CCC[C@@H](NCc1cc(C)cc(OC)c1)C1CC1 537947823 LKQRZDZNFVXVGK-QGZVFWFLSA-N 259.393 3.838 30 20 CHED C=CCC1(CNC(=O)[C@H]2CCCCCC(=O)C2)CCCC1 456514200 WHAIOLSCECBBJB-HNNXBMFYSA-N 291.435 3.779 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(C(F)F)c1 454680762 IGUYNTQQCUOCRA-UHFFFAOYSA-N 268.307 3.958 30 20 CHED COc1cc(CN2CC[C@H]2c2cccc(F)c2)ccc1C#N 619674474 DXNCBUWLHKYSGZ-KRWDZBQOSA-N 296.345 3.653 30 20 CHED Cc1cc(NC(=O)CCCC#N)ccc1Oc1cccnc1 360033266 OPNYCXVGGGWVPI-UHFFFAOYSA-N 295.342 3.815 30 20 CHED C=C(CC)CNC(=O)c1ccccc1CCC(F)(F)F 456810100 DLNPALPQLGYTTN-UHFFFAOYSA-N 285.309 3.878 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1CC1(C#N)CC1 451987657 JPGLVMHCXANVFA-OAHLLOKOSA-N 258.340 3.575 30 20 CHED CN(c1ccccc1NC(=O)CC(C)(C)C#N)C1CCCC1 279058009 SDTKWGGXUQKSJX-UHFFFAOYSA-N 299.418 3.944 30 20 CHED C=C[C@@H](C)NC(=O)CCC(=O)c1ccc(CC(C)C)cc1 362588102 OOKDPDWUIIZGPE-CQSZACIVSA-N 287.403 3.539 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)NCC(C)(C)CC#N)cc1 459259418 NRMCOCXTJXBYRT-AWEZNQCLSA-N 287.407 3.637 30 20 CHED C#CCC1(C(=O)Nc2ccc(O)cc2C)CCCCC1 276535485 MIWITMKHBIOUQI-UHFFFAOYSA-N 271.360 3.613 30 20 CHED CO[C@@H]1CCCC[C@@H]1NCc1ccccc1C(C)(C)C#N 275182931 DOQUQXUYNFDGPI-DLBZAZTESA-N 286.419 3.535 30 20 CHED Cc1cnc([C@H](C)CNc2ccc(Cl)c(C#N)n2)s1 273297696 LLESBVDHXZCDTC-MRVPVSSYSA-N 292.795 3.587 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@H]1[C@H](C)CC 466396727 AWUJHQNCWNXHJZ-ILXRZTDVSA-N 266.429 3.951 30 20 CHED C[C@H](NCCSC(C)(C)C)c1ccc(C#N)c(F)c1 271930911 IBJQTYVKUIHMQF-NSHDSACASA-N 280.412 3.880 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[C@@H]1CCO 275030754 OHGSSXJTKALZJE-MFKMUULPSA-N 298.308 3.540 30 20 CHED Cc1csc(NC(=O)c2ccccc2OC2CC2)c1C#N 288943611 XVFRSFSVRFYERH-UHFFFAOYSA-N 298.367 3.722 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ncc(-c2ccccc2)s1 285049854 ITXRGBSCYGOGRD-OAHLLOKOSA-N 285.372 3.688 30 20 CHED CSc1ccc([C@H](C)NC(=O)CC(C)(C)C#N)cc1 281051930 KGJZFSVMEQBKPV-NSHDSACASA-N 276.405 3.526 30 20 CHED N#CCCCCN1CCC[C@@H]1Cc1ccc(F)cc1 377513316 SRWUBPUMNMOBNO-MRXNPFEDSA-N 260.356 3.526 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CCCSC1)c1ccccc1 288351911 LXYQYALMGRCDOJ-HOCLYGCPSA-N 289.444 3.606 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 464749300 DCZDMLPKHJRAST-YJBOKZPZSA-N 294.398 3.844 30 20 CHED C=CCS[C@H](C)C(=O)Nc1cc(Cl)ccc1OC 289369785 JIVHEMSPEAVTPR-SECBINFHSA-N 285.796 3.595 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(OCc3cccnc3)c2)C1 559784250 VJSSKKCIWOXXJF-YOEHRIQHSA-N 293.370 3.765 30 20 CHED CC#CCCCC(=O)N[C@@H](C)[C@H](C)C1CCCCC1 466433910 LODSOFMGIWHXJW-GJZGRUSLSA-N 263.425 3.901 30 20 CHED C=CCN(CCc1ccccc1F)Cc1cccc(C#N)c1 469095484 UAPNXBQANDFGNW-UHFFFAOYSA-N 294.373 3.928 30 20 CHED Cc1c(C(=O)NC2(C)CCC2)sc2ccc(C#N)cc12 556685996 WHOVSTYUGZDLPI-UHFFFAOYSA-N 284.384 3.754 30 20 CHED N#CCCN(C/C=C/c1ccc(F)c(F)c1)CC1CC1 289254601 CPQOEGPPTAUBJK-HNQUOIGGSA-N 276.330 3.604 30 20 CHED C=CCC[C@H](NC(=O)c1cnc(C2CC2)o1)c1ccccc1 639991128 MFMGVXKMNGISQE-HNNXBMFYSA-N 296.370 3.989 30 20 CHED C=CCOCCN(C)[C@H](C)c1sc(C(C)C)nc1C 293704825 DDWOZUPCWZCJMR-CYBMUJFWSA-N 282.453 3.770 30 20 CHED C=CCN(C(=O)Nc1cccc(OC(C)C)c1)C1CC1 297301832 ITEBNWFVRJWHTK-UHFFFAOYSA-N 274.364 3.656 30 20 CHED C#Cc1ccc(CN[C@@H]2CCOc3c(CC)cccc32)cc1 809617093 HLMSLNMUBCKJFM-LJQANCHMSA-N 291.394 3.844 30 20 CHED CCCN(CC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 299433237 QTHBXSKQMRWQGC-UHFFFAOYSA-N 273.380 3.752 30 20 CHED CC1(C)C(C(=O)N[C@@](C)(C#N)C2CCCCC2)C1(C)C 550350875 GCWURDAITVSGIR-KRWDZBQOSA-N 276.424 3.647 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc3ncccc3c2)no1 809338121 RIJBNFDARUKHRJ-UHFFFAOYSA-N 277.327 3.586 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCc2c(O)cccc21 293748905 KBOMSJWMOTUCBF-HNNXBMFYSA-N 287.403 3.531 30 20 CHED C#CCN(C)C(=O)Nc1cccc(Cl)c1SC(C)C 801633516 VIVMJFBWOQJVDF-UHFFFAOYSA-N 296.823 3.937 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(-c2ccccc2F)o1 291506377 VYEBSZOOIIHMJE-KRWDZBQOSA-N 298.317 3.508 30 20 CHED C=CCC(C)(C)C(=O)NC1CCN(C2CCCCC2)CC1 560144789 UQLXITGXOGZHLP-UHFFFAOYSA-N 292.467 3.502 30 20 CHED CC(C)(C)Cc1nc2cc(NCCC#N)ccc2o1 569803997 HSYZDAWJXYLKAR-UHFFFAOYSA-N 257.337 3.742 30 20 CHED C=C(C)CCNCc1cnn(Cc2ccccc2Cl)c1 648727171 AFGOYJXSYISZGP-UHFFFAOYSA-N 289.810 3.641 30 20 CHED C[C@@H](C#N)OCCN(Cc1ccsc1)c1ccccc1 801931653 KYBIYRDBHSUQSP-AWEZNQCLSA-N 286.400 3.683 30 20 CHED C=CCCCCNC(=O)N1CCSC(CC)(CC)C1 472857474 BBAIHSACHBMHPE-UHFFFAOYSA-N 284.469 3.660 30 20 CHED CCN(CC)CCS[C@@H](C#N)Cc1ccc(C)cc1 563112979 LTIPRMFYZVVKAY-MRXNPFEDSA-N 276.449 3.505 30 20 CHED CC[C@H](NC(=O)CCCC#N)c1cccc(Cl)c1 292488520 DWEDVKVAZPAXKH-ZDUSSCGKSA-N 264.756 3.601 30 20 CHED Cc1cc(N2CC[C@@H](c3ccccc3)[C@@H]2C)cc(C#N)n1 561235288 AWXJMAPLKVIRCG-KBXCAEBGSA-N 277.371 3.644 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)C1CCC1 296623978 BSQOPFFTBDNKBQ-UHFFFAOYSA-N 299.418 3.526 30 20 CHED C#CCC(C)(C)c1nc(C2(OCCC)CCCCC2)no1 809530834 XQLULRLVQMAZCW-UHFFFAOYSA-N 290.407 3.957 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2ccc(Cl)s2)c1 806558492 DWAUXOVMCFVMCP-XQRVVYSFSA-N 292.743 3.996 30 20 CHED CC1(C#N)CN(CCCc2cccc3ccccc23)C1 569541014 OICRUWBJIPDHEV-UHFFFAOYSA-N 264.372 3.618 30 20 CHED N#CCCCCCC(=O)Oc1ccc(Cl)cc1 805846272 DUFGOBMWWWZCAN-UHFFFAOYSA-N 251.713 3.719 30 20 CHED Cc1cc(OC(=O)c2ccc(C#N)cc2)c(C)c(C)c1C#N 809034995 SWEPPGVXXKSCEU-UHFFFAOYSA-N 290.322 3.574 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(CCC)cc1 815976289 HQHQAPZHDBKPNQ-UHFFFAOYSA-N 254.276 3.756 30 20 CHED COc1cccc(C(=O)/C=C\c2cc(F)ccc2OC)c1 812240851 USSPFAHZXSFGEO-VURMDHGXSA-N 286.302 3.739 30 20 CHED C[C@H]1C(=NNc2cccc3cnccc23)CC[C@@H]1CC(=O)O 814835854 DGWGZPPVDGIQCN-VXGBXAGGSA-N 297.358 3.524 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1nccc2ccccc12 811699112 OVFSWTFVIAZXFL-HJWRWDBZSA-N 275.307 3.837 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2ccc3c(c2)CCN3)cc1 817950748 YODZXPRHOOHJHG-CQSZACIVSA-N 292.382 3.840 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H]2[C@H]3c4ccccc4C[C@H]32)n1 486588776 XHQZFTUSTFGUMX-JQHSSLGASA-N 289.382 3.568 30 20 CHED C=CCCCCCCCNC(=O)N1CCCO[C@H](CC)C1 812493477 LDHWINBEYJSGTE-MRXNPFEDSA-N 296.455 3.724 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCC1CCC1 483887360 SDXGWGZWKWMSRH-UHFFFAOYSA-N 264.413 3.564 30 20 CHED CCN(C[C@H](O)CCC(C)C)[C@H](C)c1ccc(C#N)cc1 482673309 RABXSCKGHLVFPK-CRAIPNDOSA-N 288.435 3.738 30 20 CHED CCOc1ccc(NN=C2[C@@H]3CCCO[C@H]3C2(C)C)cc1 814984686 FQCDVMJMQZLCLP-GOEBONIOSA-N 288.391 3.688 30 20 CHED COc1ccc(Cl)cc1C(C)=NOC1CCC1 812236169 XPINIJFLQFCMNA-UHFFFAOYSA-N 253.729 3.642 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1c(C)[nH]c2ccccc12 489976550 HVYVEDUVGDQXLG-UHFFFAOYSA-N 284.403 3.737 30 20 CHED CCC(C)(C)c1ccc(OC(=O)c2cccc(C#N)n2)cc1 810524039 PGSBVWJYMCSFAF-UHFFFAOYSA-N 294.354 3.860 30 20 CHED C=CCN(CC=C)C(=O)[C@H](CC)Oc1ccccc1Cl 482551221 QSBAQBQNASAYCC-AWEZNQCLSA-N 293.794 3.698 30 20 CHED C=CCC1(NC(=O)N(C)Cc2ccccc2)CCCC1 657189788 NSYFXUGCIJPFHO-UHFFFAOYSA-N 272.392 3.717 30 20 CHED Cc1cc(/C=C2/Cc3ccc(C#N)cc3C2=O)ccc1F 811693851 LIBHRYGVGQSUBF-CHHVJCJISA-N 277.298 3.828 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C1(C#N)CCCCC1 482564515 HOWOARBEYMWSKK-KBPBESRZSA-N 276.424 3.791 30 20 CHED CC(=NNc1ncnc2sccc12)c1ccccc1 725818229 GSMMNHFIQABDIJ-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCC1Cc2ccccc2C1 811489096 WABOZUOGHXGZJI-AWEZNQCLSA-N 292.382 3.804 30 20 CHED Fc1cccc(F)c1NN=C1COc2c(Cl)cccc21 814852853 RGRIKVOTJZAYRB-UHFFFAOYSA-N 294.688 3.827 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2c(C)noc2C)CCCCC1 654021107 YWYDMTRGKUPXPD-GFCCVEGCSA-N 290.407 3.790 30 20 CHED C=CCCCCCN1CCN(CCc2ccccc2)CC1 486792494 SBXBVJYRNRJZMU-UHFFFAOYSA-N 286.463 3.593 30 20 CHED Cc1cc(C)cc(NN=Cc2nccn2CC(F)(F)F)c1 727684010 SISRHFNCZDWXJJ-UHFFFAOYSA-N 296.296 3.508 30 20 CHED C=CCCCCn1cc(Br)cc(Cl)c1=O 572841245 JUMMQKBBGGOUCY-UHFFFAOYSA-N 290.588 3.621 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(-c2ccco2)cc1F 490512546 FOKUPFXNKYDNNH-JTQLQIEISA-N 274.295 3.782 30 20 CHED C=CCCCCSCc1cccc(C(=O)N(C)C)c1 576732710 ITIJTVRWTOGELS-UHFFFAOYSA-N 277.433 3.978 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 727972861 IGGHFTYSQSYIGG-UHFFFAOYSA-N 287.294 3.878 30 20 CHED CC/C(C)=C\C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 828194385 KLKMRIPOFSXRAJ-OWBHPGMISA-N 280.371 3.530 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(O)cc1Cl 824633501 AGGLZIHVTWKHPJ-VIFPVBQESA-N 253.729 3.586 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C(=O)O)s1 828859249 XCZQCKVBZSMNSN-UHFFFAOYSA-N 294.420 3.598 30 20 CHED CC#CCCON=C(C)c1nc2ccccc2n1C(F)F 588467828 JXQGYZSOLSBKBT-UHFFFAOYSA-N 291.301 3.585 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C)cc(F)c2)C1 666400810 SJJGCYYESCMUBW-ZDUSSCGKSA-N 276.355 3.954 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)C#N)c(Cl)c1 903101660 KNUKYEOZAQEJPY-SNVBAGLBSA-N 266.772 3.549 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc2ccc(Cl)cc2n1 839036667 GIAGWRZAKRTZND-NSHDSACASA-N 287.746 3.847 30 20 CHED CC#CCCCC(=O)Oc1ccc(C(C)=O)c(Cl)c1 906244229 DMBRTAULSODGMX-UHFFFAOYSA-N 278.735 3.642 30 20 CHED COc1cc(SC)ccc1N=Cc1ccccc1O 588597084 ISSRYIZQLRWRPX-UHFFFAOYSA-N 273.357 3.873 30 20 CHED O=C(O)c1ccc(-c2ccc(C=NNC3CCCC3)o2)cc1 738678560 JVCPHIZJTLRBST-UHFFFAOYSA-N 298.342 3.511 30 20 CHED C[C@H](Nc1cc(C#N)ncn1)c1cccc2ccccc12 582882646 JPXQEVKYSWRYHN-LBPRGKRZSA-N 274.327 3.675 30 20 CHED COc1cc(CCNc2ccc(C#N)cc2)ccc1Cl 583131463 LHUVGRUNNHGTBG-UHFFFAOYSA-N 286.762 3.875 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C#CCC 671724542 MZFOCNHHRHIOOH-MRXNPFEDSA-N 273.424 3.644 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cn(-c2ccccc2)nn1 733749105 DEHWAFYTWJRUBW-BQYQJAHWSA-N 295.367 3.533 30 20 CHED CCCCCOc1ccc(/C=C/C(=O)c2cnccn2)cc1 734751249 KTWLSFUVNFQZAL-JXMROGBWSA-N 296.370 3.942 30 20 CHED Cn1ncc(/C=C2\C(=O)c3ccccc3C2(C)C)c1Cl 834417283 JQDVYWAQCFECQV-MDWZMJQESA-N 286.762 3.631 30 20 CHED Cc1cccc(Cl)c1C(=O)O[C@H]1CCC[C@H](C#N)C1 839448707 JKDFWVPGXJDZBR-RYUDHWBXSA-N 277.751 3.888 30 20 CHED COc1ccc(Cl)cc1CON=Cc1cccs1 836494674 WJIRCSJSYOHXKA-UHFFFAOYSA-N 281.764 3.961 30 20 CHED C=CC[C@H](NC(=O)N(CCCC)C1CC1)c1ccncc1 734678626 IFRFKXHWBSMSQC-INIZCTEOSA-N 287.407 3.673 30 20 CHED CC(=NNc1ccccn1)c1[nH]c(-c2ccccc2)nc1C 915109756 GLWCLDQQZBZMET-UHFFFAOYSA-N 291.358 3.616 30 20 CHED CC(C)Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1 915933052 JZFVLZZVAOVIBV-UHFFFAOYSA-N 299.330 3.828 30 20 CHED CC(C)c1ccc2c(c1)CN([C@H]1CC[C@@H](C#N)C1)CC2 595656748 DVNGJBOKZUSWKS-KDOFPFPSSA-N 268.404 3.860 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(C(C)C)cc2O)c1 917004399 TUNSZMIYRXZJKX-UHFFFAOYSA-N 279.339 3.749 30 20 CHED COc1ccc(CNN=C(C)c2cc3ccccc3o2)cc1 917547644 WXGLPTAKZWVFHQ-UHFFFAOYSA-N 294.354 3.955 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(-c2ccc(CC)cc2)o1 742672781 KKWVDFFKQBRLGH-UHFFFAOYSA-N 281.355 3.651 30 20 CHED CC(C)(CC#N)CNCc1c(F)ccc(F)c1Cl 598980155 CVYRTFLLBWBUEQ-UHFFFAOYSA-N 272.726 3.648 30 20 CHED C=CCC[C@@H](NCCCOc1ccccc1F)C1CC1 747859759 QPUSQYOUTBFIKI-MRXNPFEDSA-N 277.383 3.929 30 20 CHED N#Cc1cccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)c1 592983417 GFASDCHEOPYIJQ-CQSZACIVSA-N 297.329 3.780 30 20 CHED CC(C)(C(=O)OCCCC#N)c1ccc2ccccc2c1 745418494 SGLRJQNDXNMPQA-UHFFFAOYSA-N 281.355 3.964 30 20 CHED C=CCN(C(=O)[C@H]1SCCc2sccc21)C(C)C 742639099 QZQMESHAAUZNEA-ZDUSSCGKSA-N 281.446 3.502 30 20 CHED C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCc2ccc(Cl)cc21 593066712 PNCXYQAJTBMQEC-DVOMOZLQSA-N 288.822 3.994 30 20 CHED C=CCN(C(=O)CCOc1ccc(Cl)cc1)C(C)C 915854322 DUBMOASBFKLEQL-UHFFFAOYSA-N 281.783 3.532 30 20 CHED CCCCCCCC(=O)N1CCC2(CC1)CC2(F)F 844868309 UTDVXTQWJVNBHT-UHFFFAOYSA-N 273.367 3.995 30 20 CHED CC(C)SCC(=O)OCCC1(C#N)CCCCC1 840198038 BFARHUREWSFILU-UHFFFAOYSA-N 269.410 3.535 30 20 CHED C=CCC(C)(C)CNC(=N)Nc1ccc(OC)c(Cl)c1 849030218 DOHOGJWFLDIKLM-UHFFFAOYSA-N 295.814 3.887 30 20 CHED Fc1ccc(F)c(CNN=Cc2c[nH]c3ccccc23)c1 915979670 YQYVNFOLGLVFDD-UHFFFAOYSA-N 285.297 3.570 30 20 CHED CCCC(C)(C)C(=O)O[C@H](C)c1ccc(C#N)cc1 844418347 YZHIWAISNBAVGK-GFCCVEGCSA-N 259.349 3.989 30 20 CHED O=C(C#Cc1ccccc1)N1CCC[C@H]1c1ccc(F)cc1 747203374 WSBMXNIRTLMJNI-SFHVURJKSA-N 293.341 3.541 30 20 CHED CCN(Cc1nc(-c2ccc(C(C)C)cc2)no1)[C@H](C)C#N 595815649 PODFCJKFYKQJKB-CYBMUJFWSA-N 298.390 3.594 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1ccccc1OC 840750344 UOCZHEZSOJFKQP-UHFFFAOYSA-N 278.421 3.584 30 20 CHED CSc1ccccc1C(=O)OCc1ccc(C#N)cc1C 748935669 VBVNDCKYLLXWBT-UHFFFAOYSA-N 297.379 3.946 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(NCC(F)(F)F)c1 843872147 KTQGTLDPRPBDAB-UHFFFAOYSA-N 298.308 3.649 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)c(C)n1 590780065 ILQMVKUSONKHRI-LBPRGKRZSA-N 283.350 3.560 30 20 CHED CCCON=C(CC1CCCCC1)c1ncccn1 842557532 PDAFBHAXZBRRAY-UHFFFAOYSA-N 261.369 3.578 30 20 CHED Cc1cccc(OCCCN[C@H](C)c2ccc(C#N)cc2)c1 743465373 ZSSXZDALUOZBSR-MRXNPFEDSA-N 294.398 3.986 30 20 CHED CC(=NOCC(C)C)c1ccc(Br)s1 749636542 PJUCQNFZYWYWAK-UHFFFAOYSA-N 276.199 3.907 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@H]1CCC(C)=C(C)C1 842770840 CFMQTRGWHDNROZ-DOTOQJQBSA-N 280.408 3.895 30 20 CHED CCN(CC)c1ccc(/C=N\[C@@H]2CS[C@@H](C)C2)c(O)c1 840711877 SXCRGFIRWYZVRE-NCQPTCLOSA-N 292.448 3.551 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2ccc(C(=O)O)s2)c1 921265263 CVCVHIDMOWFFJV-ARJAWSKDSA-N 286.352 3.959 30 20 CHED Cc1cc(NN=C2CC(C)(C)c3ccccc32)nc(C)n1 920373646 GRWNAZCPCXMXOX-UHFFFAOYSA-N 280.375 3.591 30 20 CHED C=CCCC(=O)Oc1ccc(Br)cc1C 755246407 NSIOODACXADHCL-UHFFFAOYSA-N 269.138 3.629 30 20 CHED Cc1c(C(=O)O[C@@H](C)C(C)(C)C#N)oc2c(F)cccc12 753621426 UOUXMYXFPLASNN-JTQLQIEISA-N 289.306 3.975 30 20 CHED CCCCc1nc(C=NOCc2ccccc2)c(Cl)[nH]1 755630956 BNWOKXKBVDLDTH-UHFFFAOYSA-N 291.782 3.956 30 20 CHED C[C@@H](N[C@H](C)c1cccc2c1OCO2)c1ccc(C#N)cc1 924784568 FVWRKVHBISHVTM-CHWSQXEVSA-N 294.354 3.699 30 20 CHED C=C(Cl)CSCC(=O)c1[nH]c(C)c(C(C)=O)c1C 853783563 WCTVABNUHPAURB-UHFFFAOYSA-N 285.796 3.503 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)c1ccccc1C(F)(F)F 753423708 GELWMCUKJSNMEW-ZJUUUORDSA-N 285.265 3.654 30 20 CHED CCCCCCCN(C)[C@@H](c1ccccc1)c1nc[nH]n1 852150789 CZDLSIXFQZMRSR-INIZCTEOSA-N 286.423 3.796 30 20 CHED CCOc1ccc(N=Cc2cc(OCC)ccc2O)cc1 920943424 IDHLGQLGGHCXGO-UHFFFAOYSA-N 285.343 3.940 30 20 CHED COc1ccc(CN[C@@H]2CCc3cccc(C)c32)cc1C#N 925582492 FYPRRLALWZNVDZ-QGZVFWFLSA-N 292.382 3.652 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1ccc(OC(F)F)cc1 929389045 KSBYPZMBAHNJSH-NSHDSACASA-N 283.318 3.507 30 20 CHED CCn1nc(C)c(C=NNc2cc(C)ccc2C)c1C 755566098 SLZXXCUEJXHOLX-UHFFFAOYSA-N 270.380 3.583 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1SCCc2ccccc21 925229457 GIKDBIPCJWYOMQ-CZUORRHYSA-N 288.460 3.935 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C(F)(F)F)c(C)c1 758619509 MLAVVIMPEUCQPW-UHFFFAOYSA-N 298.308 3.939 30 20 CHED CC1(C)CCC[C@H](C(=O)OCC(=O)c2ccc(C#N)cc2)C1 756270348 QWPUUBFPBDTLAU-HNNXBMFYSA-N 299.370 3.501 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc(OCCF)c1 926099137 QQYQFYKROZXHNF-LBPRGKRZSA-N 264.344 3.775 30 20 CHED CC(C)(C#N)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 920041342 TUKIUMPAGSMONV-OLZOCXBDSA-N 264.413 3.505 30 20 CHED Cc1ccc(C(=O)OC[C@H](C#N)Cc2ccccc2)cc1F 750785725 BAGQSMGQUZUFMD-HNNXBMFYSA-N 297.329 3.673 30 20 CHED FC(F)CON=C1CC(c2ccc(Cl)cc2)C1 758902757 KBJISKKYDOHOLT-UHFFFAOYSA-N 259.683 3.855 30 20 CHED Cc1cc(F)cc(C)c1C(=O)O[C@H]1CCC[C@@H](C#N)C1 857627139 HFKUGCYJBCXZIT-OCCSQVGLSA-N 275.323 3.682 30 20 CHED Cc1ccc(-c2nnc([C@H](C)ON=CC3CC3)o2)cc1 853735773 ZSZFDIZMMPRNNG-NSHDSACASA-N 271.320 3.518 30 20 CHED Cc1ccc(-c2noc(CON=Cc3cccs3)n2)cc1 852110940 TZVYESCAOPEEDK-UHFFFAOYSA-N 299.355 3.657 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccccc1O 756832142 PXBHHASQSVGYKL-UHFFFAOYSA-N 274.751 3.559 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)O[C@H](C)CC(C)(C)C#N 851205969 NCEVQVFPEWPLOJ-ZJUUUORDSA-N 279.302 3.837 30 20 CHED FC(F)CON=C1CCCC[C@H]1c1ccccc1 758910058 HHRRQQMOXLBXHV-LBPRGKRZSA-N 253.292 3.982 30 20 CHED Clc1ccc2c(NN=CC3CCOCC3)ccnc2c1 755472322 QEZNHENKIAVILX-UHFFFAOYSA-N 289.766 3.713 30 20 CHED Cc1cc(C(F)(F)F)c(Sc2ccc(C#N)cc2)nn1 750468102 MRDANSUKQXSRGH-UHFFFAOYSA-N 295.289 3.827 30 20 CHED C=CCC[C@@H](CC)NCc1ccc(Br)cn1 866567863 URIGVEQVWIVMSK-GFCCVEGCSA-N 283.213 3.679 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H]2CCCN2c2ccccc21 932488364 LUGZEZVNFOKGNH-CABCVRRESA-N 284.403 3.604 30 20 CHED C=CCCC(=O)COC(=O)c1cc2cccc(Cl)c2o1 761416923 NGFPHXSKJFENPE-UHFFFAOYSA-N 292.718 3.778 30 20 CHED CC1CCC(=NNc2ccnc(Br)c2)CC1 769810167 JTZDPRNSVFLYOI-UHFFFAOYSA-N 282.185 3.822 30 20 CHED C[C@H]1CN(CCCCC2(C#N)CCC2)CC2(CCCC2)O1 930827848 XBBZRZAKDOBZCL-INIZCTEOSA-N 290.451 3.884 30 20 CHED C#CCCN(C[C@@H](C)c1ccccc1)CC(F)(F)F 767899787 MQSMTLCPDUFGFZ-CYBMUJFWSA-N 269.310 3.678 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(SC(F)(F)F)o1 865925409 HVYBHSUPFOSRAV-ZETCQYMHSA-N 279.283 3.586 30 20 CHED CSCC1CCN(CCC2(C#N)CCCCC2)CC1 932587238 YPXVKZGVXDIZEY-UHFFFAOYSA-N 280.481 3.926 30 20 CHED CC1(c2ccccc2)CC(=NNCc2ccc(C#N)cc2)C1 769821176 UOHFWTJNWSZVQN-UHFFFAOYSA-N 289.382 3.756 30 20 CHED COc1ccc2ncc(C#N)c(OCSC(C)C)c2c1 863346474 CZKFSOQQCQFPFU-UHFFFAOYSA-N 288.372 3.593 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(Cl)c(Cl)c1 767047184 QZWLDTFAPSOAKI-UHFFFAOYSA-N 271.143 3.948 30 20 CHED CCCC1(C(=O)O[C@H](C)c2ccc(C#N)cc2)CC1 760589393 SNSCTODYHQYVHY-GFCCVEGCSA-N 257.333 3.743 30 20 CHED C#CCCOc1ccc(CN(CCC)CC(F)F)cc1 769225103 IUWOTKPTMHMRRX-UHFFFAOYSA-N 281.346 3.566 30 20 CHED N#Cc1cc(-c2nnc(C3CCCC3)o2)ccc1Cl 1117245940 TVAPGRSTWRABPH-UHFFFAOYSA-N 273.723 3.919 30 20 CHED C#CCN(CC1=Cc2ccccc2OC1)C1CCCCC1 769146317 SURWTCDKWKQANX-UHFFFAOYSA-N 281.399 3.730 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1cccc(C#N)c1 1118517584 BQWGBDPZOAJMQN-LBPRGKRZSA-N 291.354 3.896 30 20 CHED Fc1ccc2oc(C=NNc3ccc4[nH]ncc4c3)cc2c1 779817194 CINPGFQJIATLSY-UHFFFAOYSA-N 294.289 3.894 30 20 CHED C#CCOc1ccc([C@@H](C)NCCC2CCC2)cc1 773037987 YBQQPLMHYJYXQS-CQSZACIVSA-N 257.377 3.539 30 20 CHED Cc1ccc(C)c(/C=C2/CC(=O)Nc3ccccc3C2=O)c1 774142927 SZFYCDYLSMRMPF-GDNBJRDFSA-N 291.350 3.912 30 20 CHED C=CCN(C(=O)c1cc2c(F)cccc2s1)C1CC1 771819563 SWBJERXLHJLORV-UHFFFAOYSA-N 275.348 3.831 30 20 CHED C#CCN(Cc1ncc(Cl)s1)C1CCCCC1 770631829 IOZHZNQMVCGQJY-UHFFFAOYSA-N 268.813 3.564 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnn(CCCC)c1C 879236830 OUULGRRXOSSQAD-UHFFFAOYSA-N 263.385 3.532 30 20 CHED C=C(CC)COC(=O)c1csc(-c2ccc(C)o2)n1 773493232 UJDFAUIWXZTQIS-UHFFFAOYSA-N 277.345 3.835 30 20 CHED Cc1cc(Br)ccc1NN=C1CCCOCC1 770606495 NCQDVUZFNNHFIQ-UHFFFAOYSA-N 297.196 3.726 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)O[C@H](C#N)C1CCCCC1 775074002 PDQBQUCNFNVZCD-LZWOXQAQSA-N 263.381 3.684 30 20 CHED C#C[C@H](NC(=O)Nc1cccc(-c2ncco2)c1)C(C)(C)C 879023124 AKXGTRVFXUGVEV-AWEZNQCLSA-N 297.358 3.511 30 20 CHED Cc1cc(-n2c(C)cc(C=NOC3CCCC3)c2C)no1 774603468 URZGMSGZUUXDEE-UHFFFAOYSA-N 287.363 3.684 30 20 CHED C=CCC[C@@H](CC)NCc1nc2cc(F)ccc2n1C 773003954 YUWPAUUVIIHJLB-CYBMUJFWSA-N 275.371 3.547 30 20 CHED C[C@@H](CCC#N)CNc1ccc2c(c1)[C@@H](O)CCCC2 877624472 CCZHAZJNRWUPSQ-GUYCJALGSA-N 272.392 3.798 30 20 CHED CCOc1ccc(N(CC)CCC(C)(C)C#N)cc1 776587829 OXPKLBVDPOUFNA-UHFFFAOYSA-N 260.381 3.851 30 20 CHED Cc1ccc(C=NOCc2ccc3c(c2)COC3)cc1 778025178 VEMPVWNPNFXNBE-UHFFFAOYSA-N 267.328 3.576 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@@H](CO)C1 775524329 FXYZJQCWKMADIP-DLBZAZTESA-N 297.483 3.994 30 20 CHED C[C@@H](C=Nn1ccccc1=O)Cc1ccc(C(C)(C)C)cc1 776787036 LVELCLXAIJMROR-OAHLLOKOSA-N 296.414 3.859 30 20 CHED CC(=NOC1CCCC1)c1ccc(-n2ccnc2)cc1 774603424 SMLBCRKGPKMVQY-UHFFFAOYSA-N 269.348 3.556 30 20 CHED CO[C@H](C(C)=NNc1ncccc1C)c1ccccc1 782284734 ISNWDIGBBQVVCB-OAHLLOKOSA-N 269.348 3.566 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c([N+](=O)[O-])ccc(C)c1C 889874163 YFKGFTDJNYCCRG-LBPRGKRZSA-N 290.363 3.686 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NN[C@@H](CO)c1ccccc1 788459255 DLBFRAPBNOWMOK-KDOFPFPSSA-N 294.398 3.530 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2F)CC[C@H]1C 1129715844 RSYDCPLXYLRGKK-MDZLAQPJSA-N 274.339 3.708 30 20 CHED Cc1ccc2ccccc2c1COC(=O)c1c[nH]c(C#N)c1 786901382 XAMWRZKBFVBQOQ-UHFFFAOYSA-N 290.322 3.705 30 20 CHED CC(C)(C#N)CC(=O)OCCCC1CCCCC1 781840757 AHPPIQHALAWWOE-UHFFFAOYSA-N 251.370 3.830 30 20 CHED Cc1cc(C)nc(NN=C(CC(C)(C)C)C2CC2)n1 787146168 WBSXRHCBPVMCMA-UHFFFAOYSA-N 260.385 3.708 30 20 CHED CCCCCCCOC(=O)c1cnn(C(C)C)c1 786931827 UQBANCPPNLEGHK-UHFFFAOYSA-N 252.358 3.591 30 20 CHED CCc1cccc2c(C=NN[C@H]3CCOC(C)(C)C3)c[nH]c12 780247559 SKQAEWNZUAERCY-HNNXBMFYSA-N 299.418 3.611 30 20 CHED C#CCCCCNC(=O)Nc1ccc2sc(C)nc2c1 781491366 HWOHPQVUTRKZFS-UHFFFAOYSA-N 287.388 3.530 30 20 CHED CC(C)(C)Oc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 897755289 YKZAZOIDHXQRGM-GXTWGEPZSA-N 258.365 3.968 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)[C@@H]1CCCOC1 780118476 PCVXHLSCVMBONM-LSDHHAIUSA-N 269.429 3.668 30 20 CHED N#Cc1cc(F)ccc1NC(=O)CCCc1ccsc1 783503908 UQGPPSTVTJIPQO-UHFFFAOYSA-N 288.347 3.720 30 20 CHED CSc1ccccc1COC(=O)c1cccc(CC#N)c1 781237922 SAVGNIPIEPCJGY-UHFFFAOYSA-N 297.379 3.832 30 20 CHED Cc1cccc(CC(=NNc2ccnc(F)c2)C2CC2)c1 781132993 KPQPOVXREMUJIF-UHFFFAOYSA-N 283.350 3.950 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc2ccccc2n1C 1139872376 MKARXCYPHRHUNG-UHFFFAOYSA-N 289.382 3.682 30 20 CHED CC1(C)OB(Cc2ccc(Br)cc2)OC1(C)C 169982378 GRYKRVPNXCGBIT-UHFFFAOYSA-N 297.001 3.623 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc(CC(C)C)cc1 794696343 UINXSGTURCEFCX-MDZDMXLPSA-N 282.387 3.823 30 20 CHED COCC[C@H]1CCCC1=NNc1cc(C)ccc1C 799870124 DFHUDZJDWNAQFZ-CQSZACIVSA-N 260.381 3.908 30 20 CHED Oc1ccccc1/C=N/C[C@H]1CCCN1C1CCCCC1 797785173 VRENSBHSYZOYBR-HNMKQIAWSA-N 286.419 3.608 30 20 CHED C=CCCCCC[C@@H](C)NCc1cnc2n1CCCC2 793565501 QHRHNTJQGZPEOE-OAHLLOKOSA-N 275.440 3.834 30 20 CHED COc1ccc([C@H](C)C(C)=NNC2CCCC2)cc1OC 794506916 VLBBSLYWAXAZJB-GFCCVEGCSA-N 290.407 3.715 30 20 CHED CCCCCCC[C@@H](C)NCc1cnccc1OC 688967296 MHRBWWYUOAEJJZ-CQSZACIVSA-N 264.413 3.929 30 20 CHED CCC(=NNc1ccc(F)cn1)c1cccc(C)c1 794908544 JPLMNVXHRYKDFT-UHFFFAOYSA-N 257.312 3.755 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CN(C2CC2)C[C@@H]1C 793536465 WNCGBNUOTNQHHB-ZOBUZTSGSA-N 264.457 3.584 30 20 CHED C=CC[C@H](N[C@@H](C)c1cccc(O)c1)c1ccncc1 799718494 CVJKNPQLDGKYIW-GUYCJALGSA-N 268.360 3.755 30 20 CHED C#CC[C@@H](NC(=S)Nc1ccsc1)c1ccccc1 790323693 XARDFSLTZFHXPJ-CQSZACIVSA-N 286.425 3.799 30 20 CHED N#Cc1ccccc1COC(=O)[C@@H](F)CC1CCCCC1 796209429 UHETWRSCAXBMJL-INIZCTEOSA-N 289.350 3.910 30 20 CHED Fc1ccc(/C=C\C=NOC2CCCC2)cc1F 794921501 INQLYXYIVPWARH-LBLZXBBTSA-N 251.276 3.923 30 20 CHED CC[C@@H](C)CON=C1CCC(NC(=O)OC(C)(C)C)CC1 793147050 YAGMYMDPRNBMAH-PZORYLMUSA-N 298.427 3.872 30 20 CHED CC[C@@](C)(NC(=O)c1cc(C#N)oc1C)c1ccccc1 797864215 DTTKWVOIELNDSP-QGZVFWFLSA-N 282.343 3.515 30 20 CHED C=CCN(CCC#N)C(=S)Nc1ccc(C(C)C)cc1 793248092 WLJAKUOPXLMGOQ-UHFFFAOYSA-N 287.432 3.908 30 20 CHED N#Cc1ccccc1NCc1cnc(C2CC2)s1 579193198 WNVGXPBBEONBCW-UHFFFAOYSA-N 255.346 3.504 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(C(F)(F)F)s1 586763956 JFUQECKYIQHDSA-UHFFFAOYSA-N 290.310 3.531 30 20 CHED CC[C@@H]1CCC[C@@H](Nc2nc3c(cc2C#N)CCC3)C1 85065948 XZQIYTNMXNGRGE-IUODEOHRSA-N 269.392 3.823 30 20 CHED C#CCC(C)(C)C(=O)NCC(C)(C)C1CCCCC1 767097528 XQZMSVGAAJKIOV-UHFFFAOYSA-N 263.425 3.759 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(OC(C)C)cc1 90883606 YWHYGVSTPDAXIL-HNNXBMFYSA-N 277.408 3.717 30 20 CHED CCC[C@@H](C#N)NC(=O)c1sccc1-c1ccccc1 92007500 KVDVNZPSGKYOQI-ZDUSSCGKSA-N 284.384 3.837 30 20 CHED CCC[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 1307562461 BLGDYZPFUIDJEV-QGZVFWFLSA-N 256.393 3.613 30 20 CHED C[C@]1(CNCc2cc(C#N)ccc2F)C[C@@H]1c1ccccc1 1308941347 RWTOATHSQMDEII-IEBWSBKVSA-N 294.373 3.981 30 20 CHED C[C@H](NCCc1ccc(N(C)C)cc1)c1cccc(C#N)c1 1319835653 DHYTZZFDXIWTSG-HNNXBMFYSA-N 293.414 3.518 30 20 CHED C[C@H]1CCCC[C@H]1CN1CCc2c(C#N)cccc21 1171345064 VAGCPCCNTZQGGA-ZFWWWQNUSA-N 254.377 3.747 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2ccc(OCC#N)cc2)CS1 1326304851 HQWAHJNGVMCIIR-ZFWWWQNUSA-N 290.432 3.921 30 20 CHED CC(C)CC(C)(C)c1nnc(COc2ccccc2C#N)o1 1328152926 UMKHNNMGRCIRPU-UHFFFAOYSA-N 299.374 3.844 30 20 CHED N#Cc1ccc(COc2cnc(F)cc2Cl)c(Cl)c1 1322414422 FNWYNWHBQZDTEJ-UHFFFAOYSA-N 297.116 3.978 30 20 CHED CCN(C(=O)CC#Cc1ccccc1)c1ccccc1F 1322553295 MSRLVFLRHYNTIF-UHFFFAOYSA-N 281.330 3.620 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(C2CCCC2)cc1 1324011713 WGOUVLWIEBBHOM-UHFFFAOYSA-N 281.399 3.830 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC[C@H](C)C2)c1 1678407811 BJZMUUXYLHGQGM-FZMZJTMJSA-N 271.364 3.567 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](SCC)C1 1335807771 XYQTYASZXNJEON-CHWSQXEVSA-N 255.427 3.523 30 20 CHED Cc1cnc([C@H](N[C@H](C)CC(C)(C)C#N)C2CC2)s1 1336660839 ZPPKZXUKURZXCA-ZWNOBZJWSA-N 277.437 3.821 30 20 CHED N#CC1(CCCCN[C@@H](CCO)c2cccs2)CCC1 1332840044 SIRSDCBJZYMCFB-AWEZNQCLSA-N 292.448 3.625 30 20 CHED C=C(C)Cn1c([C@H](C)C2CCC2)nnc1N1C[C@H]2C=C[C@H]1C2 1342707744 OSKWTROSFXSYSM-YCPHGPKFSA-N 298.434 3.523 30 20 CHED C=CCCOC(=O)Cc1csc(-c2cccs2)n1 103648011 ZYXBJLUHRIZKJA-UHFFFAOYSA-N 279.386 3.533 30 20 CHED CCCCSCCC(=O)O[C@@H](CC#N)c1ccco1 1345982285 PSWGFWAFCAYSHD-ZDUSSCGKSA-N 281.377 3.701 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC[C@H](C)c1ccc(F)cc1 1264866759 SYJLDLJMMUNWKJ-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@@H](C)C1 1507853661 KHHBSZZTYMKWBX-WOPDTQHZSA-N 296.846 3.636 30 20 CHED C=C(C)CCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 1357432818 AEZUJJZHNAETBM-LLVKDONJSA-N 267.319 3.841 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 1520854152 LSRXAVOGBQPCLA-OCCSQVGLSA-N 293.370 3.871 30 20 CHED N#Cc1cc(NC(=O)c2nsc3ccccc23)ccc1F 1520422741 KPQUSVYRTMJXFC-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CS[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1 1529991757 LCSVMLGIFBAKBO-OAHLLOKOSA-N 282.368 3.601 30 20 CHED Cc1ccc(C)c(NC(=O)c2ccccc2CC#N)c1 1290108801 VBXOPXMYLVQULT-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CCc1cc(NC(=O)c2ccc(C#N)cc2OC)ccc1F 1520929828 SMATVARYFSTXQM-UHFFFAOYSA-N 298.317 3.521 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@H]1CC1(C)C 1464910681 KYBLULZSBBHELQ-ZIAGYGMSSA-N 271.364 3.504 30 20 CHED N#Cc1cc(NCc2cc(C(=O)O)cs2)ccc1C1CC1 1608197493 BXELONACEMDRCZ-UHFFFAOYSA-N 298.367 3.807 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)c1cc(C#N)ccc1C 1538924112 VFSNYMGLWOLLGP-UHFFFAOYSA-N 298.773 3.759 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cc(F)cc(C#N)c2)cc1 1467152841 VMPNRWZHYMQNON-UHFFFAOYSA-N 283.306 3.674 30 20 CHED C[C@@H]1C[C@@H](OC(=O)c2ccc(C#N)o2)CC(C)(C)C1 1534154565 NFNMADJBNDPNJD-ZYHUDNBSSA-N 261.321 3.523 30 20 CHED Cc1nc(C#N)cc(NC[C@H](c2ccccc2)C(C)C)n1 1611779483 KBZLHJLPDKOVET-INIZCTEOSA-N 280.375 3.508 30 20 CHED C=C(Cl)CN(C)[C@@]1(c2ccccc2)CCCCC1=O 1473389925 YWAJXJMYRCQCHH-MRXNPFEDSA-N 277.795 3.709 30 20 CHED N#Cc1c(F)cc(C(=O)Nc2ccc3[nH]ccc3c2)cc1F 1540714769 RJCATMSYPUPWGI-UHFFFAOYSA-N 297.264 3.570 30 20 CHED N#Cc1cncc(Oc2ccc(SC(F)(F)F)cc2)n1 1559185695 BXXZHKPSWWPLLS-UHFFFAOYSA-N 297.261 3.752 30 20 CHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CCC2 1559703789 OZLWVWVRZRNOEJ-XNJGSVPQSA-N 254.377 3.518 30 20 CHED Cc1nc(C#N)cc(Oc2ccc(-c3ccccc3)nc2)n1 1639664809 VONJAEQHXTYGMG-UHFFFAOYSA-N 288.310 3.511 30 20 CHED C=C(Cl)CNC(=O)NC[C@H]1CCC[C@H]1c1ccccc1 1564828135 WAYVIOABJCJBSY-CABCVRRESA-N 292.810 3.622 30 20 CHED C=CCCc1ccccc1NC(=O)c1cc(C(=O)O)oc1C 1573359986 CFDHJZIFCUZISI-UHFFFAOYSA-N 299.326 3.657 30 20 CHED COc1ccc([C@H](C)Sc2nnc(C)c(C)c2C#N)cc1 1650686216 ZYICSLVLUGICIM-LBPRGKRZSA-N 299.399 3.827 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)c2ccccc21 1655247386 MQLNVBFMJXQFQM-UHFFFAOYSA-N 280.346 3.995 30 20 CHED CCCN(Cc1ccc(F)cc1)c1ncc(C#N)cc1F 1655041567 UDWGBXIMIBBNMG-UHFFFAOYSA-N 287.313 3.648 30 20 CHED C=C(C)c1cccc(NC(=O)/C=C\c2cc(C(=O)O)co2)c1 1588605340 HSOJSOCJWKACKO-SREVYHEPSA-N 297.310 3.663 30 20 CHED CC[C@@H]1CCC[C@H](NCCc2ccc(C#N)cc2)C1 1656621944 AWMORAMYXFAKRK-PBHICJAKSA-N 256.393 3.659 30 20 CHED C[C@]1(C=NNc2ccc(C(=O)O)c(Cl)c2)CCCS1 1593996550 YQLFZNIPGBMNMK-CYBMUJFWSA-N 298.795 3.722 30 20 CHED CC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)[C@@H]1CC1(C)C 1677508068 BNONLSNXAFTLLJ-KCXAZCMYSA-N 299.418 3.743 30 20 CHED CC(C)(C)N(CCCSCC#N)Cc1ccccc1 130421082 QRLYCRQFXQZCFA-UHFFFAOYSA-N 276.449 3.934 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccccc1C(F)(F)F 233293479 JCFIADXWGIZBOU-JTQLQIEISA-N 284.281 3.629 30 20 CHED CC[C@@H](NC(=O)NCC1(C#N)CCC1)c1cc(C)ccc1C 1686829020 WJKMCFCINQTREM-MRXNPFEDSA-N 299.418 3.748 30 20 CHED O=C(O)Cc1ccc(NN=C2CCC[C@@H](C(F)F)C2)cc1 1776085278 AUCFXFLSJRSTRG-LLVKDONJSA-N 296.317 3.537 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cncc(C(=O)O)c2)cc1C 1776133553 ZVUWCPQQNBWYFA-SNAWJCMRSA-N 295.338 3.601 30 20 CHED C=CCN(C)C(=O)c1ccc(-c2ccc(F)cc2)cc1F 161464550 UOQUVGISXXTNTN-UHFFFAOYSA-N 287.309 3.890 30 20 CHED Cc1ccccc1NC(=O)Nc1ccccc1O[C@H](C)C#N 162055308 QNJHQHJOZNBDLF-CYBMUJFWSA-N 295.342 3.930 30 20 CHED CC[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1Cl 162647752 CRTRIVBCQGQWMP-WDEREUQCSA-N 250.773 3.736 30 20 CHED C=C(C)CN(CC)Cc1c[nH]nc1-c1cccs1 158994988 YKMGVNWLLQNFLB-UHFFFAOYSA-N 261.394 3.536 30 20 CHED C=C(Br)CN[C@H](c1ccc(OC)cc1)C1CC1 163688912 WWJWIEPKEBFDKU-AWEZNQCLSA-N 296.208 3.645 30 20 CHED N#Cc1ccc(SCc2cccnc2)c(Cl)c1 154157176 ZSPHHUNYCNECFA-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Cc1cccc(Oc2ccccc2NC(=O)CC#N)c1 153479287 UOXYGTKJYGXJHA-UHFFFAOYSA-N 266.300 3.640 30 20 CHED CC(C)c1nc(COc2cccc(F)c2C#N)cs1 155641249 WAAIHQGZHLEGJL-UHFFFAOYSA-N 276.336 3.856 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)c1cccc(F)c1F 155746691 PXEROEAKGSVNAP-NSHDSACASA-N 292.329 3.616 30 20 CHED Cc1cccc2[nH]c(-c3ccc(O[C@@H](C)C#N)cc3)nc12 154396375 TUUUBXPCVFKBNV-LBPRGKRZSA-N 277.327 3.829 30 20 CHED Cc1ccc2nc(-c3ccc(O[C@@H](C)C#N)cc3)[nH]c2c1 154646161 HLQXDNUWGPAHQJ-LBPRGKRZSA-N 277.327 3.829 30 20 CHED C=CCCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1 156903602 RELHRFFMMYEZTL-UHFFFAOYSA-N 284.233 3.767 30 20 CHED CCc1noc(C)c1CSCc1ccccc1C#N 159633661 GOBCVUGNBWPDQK-UHFFFAOYSA-N 272.373 3.851 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1O 6339200 GEAGLMJWNVWSIG-VOTSOKGWSA-N 297.310 3.813 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)s1 14686199 FIHASAGNOUJTJQ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCCSC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 892521237 NNMZBLRINOJCBB-QWHCGFSZSA-N 262.422 3.741 30 20 CHED C[C@H](Cc1cccs1)Nc1ccc(C#N)cc1[N+](=O)[O-] 25575120 BXVQUAOPFYKKKE-SNVBAGLBSA-N 287.344 3.571 30 20 CHED CCCC[C@@H](CC)CNc1nnc(C)c(C)c1C#N 29525008 XOEPYQGRQXZMJB-CYBMUJFWSA-N 260.385 3.593 30 20 CHED C[C@@H](CCc1ccco1)Nc1ccc(CC#N)cc1 37071536 FHXJWJFHEBZNOI-ZDUSSCGKSA-N 254.333 3.779 30 20 CHED COc1c(Cl)cccc1NCCC(C)(C)C#N 288764476 SWBYYCBHDIETGT-UHFFFAOYSA-N 252.745 3.700 30 20 CHED C[C@@H](CNc1ccc(C#N)c(Cl)c1)CN1CCCCC1 61846128 JIFVRETYBMKURN-ZDUSSCGKSA-N 291.826 3.746 30 20 CHED CC[C@H](C)CC(=O)Nc1ccc(Cl)c(C#N)c1 191708843 VWNRBWIIIYCQAW-VIFPVBQESA-N 250.729 3.586 30 20 CHED Cc1ccccc1[C@H](C)NCc1ccc(C#N)c(F)c1 192147204 QVLKFEYYOGOSRH-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2C2CCCC2)cc1F 403983026 GNONVXCQYMBTMY-KRWDZBQOSA-N 272.367 3.852 30 20 CHED C=CCCCCN[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 548159022 PBEFKEXSDJJJDP-PKOBYXMFSA-N 286.463 3.843 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cc(Br)cs1 336741669 NKBOUUSMXAQLQB-SECBINFHSA-N 299.237 3.855 30 20 CHED CN(c1nccc(C#N)c1Cl)[C@@H]1CCC(C)(C)C1 343045178 LJUPLXFOWPWDGI-LLVKDONJSA-N 263.772 3.622 30 20 CHED C(=NOCc1ccccc1)c1csc(C2CC2)n1 920376279 XORZSSFFOSRPQT-UHFFFAOYSA-N 258.346 3.571 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)cc2)c(C)c1 3424780 VNIOZOCEIDVJPB-UHFFFAOYSA-N 265.312 3.532 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 7915450 PMIXAUGWKLICJI-BQYQJAHWSA-N 297.310 3.808 30 20 CHED C=CCN(C(=O)Cc1cccs1)c1ccccc1 58642028 FXRXBJLBZFHAGN-UHFFFAOYSA-N 257.358 3.510 30 20 CHED CC(C)(C)CCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 103638553 KADVNAMGQGYJSM-CQSZACIVSA-N 286.375 3.550 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 110362682 DDZOVJZIBAHHFA-CQSZACIVSA-N 289.444 3.733 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)C[C@H](c2ccsc2)O1 177197391 IEGGXFXSGXVMFU-CXAGYDPISA-N 298.411 3.582 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccccc1F 63472324 SWCLJESVBFAHGB-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C=CC1CCN(C(=O)NCc2ccc(Cl)s2)CC1 171827005 YMGXPWQYDVOEOO-UHFFFAOYSA-N 284.812 3.509 30 20 CHED Cc1ccc2ncc(/C=C3\Cc4ccc(F)cc4C3=O)n2c1 178768442 BFUFFFSLWCUKGW-NTUHNPAUSA-N 292.313 3.604 30 20 CHED CC(C)N(CCNc1c(Cl)cccc1C#N)C(C)C 301369643 RXQBKCSHPDCZBZ-UHFFFAOYSA-N 279.815 3.742 30 20 CHED C=CC[C@H](C)NCc1ccc(F)cc1Br 136164820 XIDXSIJMLHKXOZ-VIFPVBQESA-N 272.161 3.642 30 20 CHED CCO[C@H]1C[C@@H](NCC(C)(C)CCC#N)C1(CC)CC 175037222 QUIJOZVOFHNABP-CABCVRRESA-N 280.456 3.890 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 179767785 YPYWELDZTUGQSL-SNVBAGLBSA-N 296.754 3.723 30 20 CHED Cc1cnc([C@H](C)Nc2ccc(Cl)c(C#N)n2)s1 301570547 RBCYXUSTYWDMEY-QMMMGPOBSA-N 278.768 3.545 30 20 CHED N#Cc1nccnc1NCC1(c2cccs2)CCCCC1 301353944 LQUDNUUFZDRFMF-UHFFFAOYSA-N 298.415 3.724 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(Cc3ccccc3)CC2)c1 177041864 GINDSJRZEWOYRF-UHFFFAOYSA-N 289.378 3.654 30 20 CHED CCOc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 178394132 YEDZWOZOGGOCSP-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CCO[C@@H]1C[C@H](Nc2c(F)cc(C#N)cc2F)C12CCC2 301344234 JTXNDWQNOHVBSF-UONOGXRCSA-N 292.329 3.596 30 20 CHED Cc1ccc(NC(=O)CSc2ccccc2C#N)c(C)c1 172680165 GUWINESMGYYUDA-UHFFFAOYSA-N 296.395 3.906 30 20 CHED Cc1nc(CCNc2c(F)cc(C#N)cc2F)sc1C 301637599 AKTSHXVFHPRUPT-UHFFFAOYSA-N 293.342 3.564 30 20 CHED CC[C@H](C#N)NC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 121406919 CEDWCJUKGKKGPR-ARFHVFGLSA-N 294.439 3.560 30 20 CHED C=CCN(CC=C)C(=O)C1(c2ccccc2)CCCC1 301947254 YPNUWABCLLRLGE-UHFFFAOYSA-N 269.388 3.699 30 20 CHED N#Cc1c(F)cccc1N1CC=C(c2ccc(O)cc2)CC1 302909357 ITEGITATSZBWTM-UHFFFAOYSA-N 294.329 3.697 30 20 CHED CC/C=C(\C)C(=O)Oc1c(Cl)cc(C#N)cc1OCC 129293560 SDRPASIQFDBFRK-UXBLZVDNSA-N 293.750 3.872 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cnc(C(C)C)s2)n1 122197270 WMZJSSMYDFERHO-VIFPVBQESA-N 291.401 3.522 30 20 CHED CC(C)[C@@H]1CCCN(c2ccc(Cl)c(C#N)n2)CC1 301301263 RGSKQXKWUINGAN-GFCCVEGCSA-N 277.799 3.869 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](C)CC 188178578 FWZZXIWOZYQWPE-CQSZACIVSA-N 272.392 3.733 30 20 CHED CCCn1c(-c2ccc(C#N)cc2)nc2cc(C#N)ccc21 33559358 MGQKGIKYNABVMS-UHFFFAOYSA-N 286.338 3.857 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)Nc1ccccc1C 124524307 APSQICQSJNKLMN-UHFFFAOYSA-N 297.354 3.821 30 20 CHED Cc1nc(CC(C)C)sc1C(=O)[C@@H](C#N)c1ccccn1 70032737 JDCGTJUFCOCBER-LBPRGKRZSA-N 299.399 3.535 30 20 CHED C=C(CNCc1ccc(F)cc1C)c1ccccc1 507941024 LLEIZQGHLFIJGH-UHFFFAOYSA-N 255.336 3.937 30 20 CHED C#CCOC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 73932487 DZDRQQKBGAKFTB-STQMWFEESA-N 297.379 3.523 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)cc1 120637095 YCOMRVKCBFXUMJ-ZZXKWVIFSA-N 269.250 3.733 30 20 CHED N#CCCCCN1CCC[C@@H](c2nc3ccccc3o2)C1 120080867 MUPFIVMDVSTPIP-CQSZACIVSA-N 283.375 3.701 30 20 CHED C#CCOc1ccccc1NCc1cccc([N+](=O)[O-])c1C 184634649 KRGCQPINKPIXKY-UHFFFAOYSA-N 296.326 3.527 30 20 CHED Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(F)c1 213194314 BUIFVWHJFCEVGQ-CLFYSBASSA-N 280.302 3.658 30 20 CHED C=CCC1(C(=O)NCc2ccc(CC)s2)CCC1 188727044 FPGDDROVUCSQRH-UHFFFAOYSA-N 263.406 3.673 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 185970144 VSYXLBHPUABIMV-RYRKJORJSA-N 284.403 3.830 30 20 CHED N#CC1(CNCc2cnc(-c3cccs3)s2)CCC1 418145329 XLWRJRFEZOXYGX-UHFFFAOYSA-N 289.429 3.655 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc(C)c(C)cc1Cl 180649653 CNUJHQNLSJVQFX-JTQLQIEISA-N 278.783 3.579 30 20 CHED C=CCN(C(=O)c1ccc(OC)cc1OC)c1ccccc1 71794851 WVDRCRQOVMEIGV-UHFFFAOYSA-N 297.354 3.537 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2C)cc1C#N 132523434 PEELWKAIHXEBNY-VQHVLOKHSA-N 277.323 3.771 30 20 CHED N#CCCCOc1cccc(CNCC2(C3CC3)CC2)c1 130698298 ANQAJNAPFJCTPA-UHFFFAOYSA-N 284.403 3.649 30 20 CHED CN(CCC1CCCCC1)C(=O)c1cc(C#N)cs1 84186228 JIPZJQDXAYKAKY-UHFFFAOYSA-N 276.405 3.662 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(C(C)(C)C#N)cc1 135424431 DANVCKYUKOSYFV-CHWSQXEVSA-N 285.391 3.892 30 20 CHED CC(C)c1ccc(CCC(=O)NCC2(C#N)CCC2)cc1 416353075 HJFWEHVSCMTPIJ-UHFFFAOYSA-N 284.403 3.553 30 20 CHED CCCC[C@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl 410011428 MYZWNCXGDLBFRL-SMDDNHRTSA-N 278.783 3.847 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1ccc(OC(F)F)cc1 192767712 RVHIYVDREYAVHF-BQYQJAHWSA-N 293.269 3.789 30 20 CHED O=C1/C(=C/c2sccc2Cl)Cc2c(O)cccc21 195335612 JXSNEKUBIAFORZ-BQYQJAHWSA-N 276.744 3.930 30 20 CHED CC(=O)c1cccc(NCc2cn3ccccc3c2C#N)c1 193399867 YNRZAPZKBACDGK-UHFFFAOYSA-N 289.338 3.626 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1c1cc(C)ccc1C 134834003 CWIRIUAOFAKDLD-HOCLYGCPSA-N 272.392 3.724 30 20 CHED CC(C)(C)c1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 425624914 RDJAMVLAYWVBMR-SWLSCSKDSA-N 285.391 3.798 30 20 CHED CC1(C)CC[C@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)C1 329873692 CHUWPOPEZUTXTH-AAEUAGOBSA-N 274.364 3.541 30 20 CHED CC[C@@H](C)Nc1ccc(C#N)c(Br)c1 228172989 ICHGTZUZHCVBNV-MRVPVSSYSA-N 253.143 3.531 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1ccc(Cl)s1 192765160 WJMMIBUNSXFAHR-ONEGZZNKSA-N 267.737 3.902 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(C)=O)cc2)CCC1 191979202 HLTGHJNWTBDLDW-UHFFFAOYSA-N 257.333 3.574 30 20 CHED Cn1cc(CN2CCC[C@H](c3ccccc3)CC2)cc1C#N 191310987 KBRYRFWVXYMIES-SFHVURJKSA-N 293.414 3.666 30 20 CHED CCO[C@@H](C/N=C/c1cc(OC)ccc1O)c1ccccc1 194515906 ILKLAXKHQKCJBR-LPGQDOADSA-N 299.370 3.598 30 20 CHED CCCN(CC#Cc1ccc(Cl)cc1)CC(F)F 427011091 BURYHEDIDAJKII-UHFFFAOYSA-N 271.738 3.669 30 20 CHED OC1=NCCC[C@H]1/N=C(/O)CC1CC(c2ccccc2)C1 328676664 RSSHAANZHNABMA-PESDSKBTSA-N 286.375 3.646 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)C(=C)C 424872221 CFPXSKGWGYWXQH-MRXNPFEDSA-N 271.404 3.892 30 20 CHED Cc1cccc(OCCCC(C)(C)C#N)c1[N+](=O)[O-] 87609027 CAIDZVAHFHWYLP-UHFFFAOYSA-N 262.309 3.612 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 335992017 QYALWZHBWIHMRV-AWEZNQCLSA-N 285.391 3.653 30 20 CHED C#CCCCC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 192165775 ZBUCKADZOUQKLV-OAHLLOKOSA-N 271.404 3.661 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2[nH]ccc2c1 336093016 RTBCYNYAOVGYNP-CQSZACIVSA-N 269.348 3.740 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2ccccc2OC(F)F)C1 193347003 WFDQEXLKKVBKMH-GXTWGEPZSA-N 294.345 3.502 30 20 CHED C[C@@H]1CC[C@H](NC(O)=Nc2cccc(OC(F)F)c2)C1 331291628 PQHGXKNSSGKEMT-KOLCDFICSA-N 284.306 3.612 30 20 CHED CC[C@@]1(C)CCCN(CCCC2(C#N)CCOCC2)C1 337172710 GTCNCMBTBYHIIM-INIZCTEOSA-N 278.440 3.599 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cc2cccc(Cl)c2s1 335533654 FKYWEGNKSSAFQS-SECBINFHSA-N 292.791 3.929 30 20 CHED C=CCCc1nc(-c2cc(Br)ccc2F)no1 514946501 YXJMPCDXNAYOQW-UHFFFAOYSA-N 297.127 3.757 30 20 CHED C=C(Br)CN[C@@H](C)c1ccc(C)s1 49183188 NDBLAQPOWJZDKZ-VIFPVBQESA-N 260.200 3.616 30 20 CHED C[C@@H](NCc1cccc2cc[nH]c12)c1cccc(C#N)c1 237341315 UOZZUSGDHVRWRD-CYBMUJFWSA-N 275.355 3.890 30 20 CHED CC1(C#N)CCC(NC2(c3cccc(C#N)c3)CC2)CC1 333894982 ZRTFCHTXBQHAEU-UHFFFAOYSA-N 279.387 3.609 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 293022009 PREQAAIQLIHNAT-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(SC)cc1 437526370 JELAWDCWCNNHKH-UHFFFAOYSA-N 289.444 3.836 30 20 CHED CN(CCCOCc1ccccc1)c1cccc(F)c1C#N 384311729 IZVUWWRHFCWTLU-UHFFFAOYSA-N 298.361 3.740 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1cc(C#N)n(C)c1 343653081 DQVBWAUIVZJCNN-CRAIPNDOSA-N 293.414 3.665 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)[C@H](C#N)c1ccccn1 344741030 OKFMAQMHRXDYFF-CQSZACIVSA-N 293.370 3.652 30 20 CHED CCc1ccc(Cl)c(CC)c1NC(=O)NCCCC#N 344886321 UMHMXPDWRCGMMY-UHFFFAOYSA-N 293.798 3.890 30 20 CHED CC(C)[C@H](c1ccc(F)cc1)N(C)CC1(C#N)CC1 434617343 SVEBZZMLJWPPMA-OAHLLOKOSA-N 260.356 3.758 30 20 CHED CCCOc1ccc(CNc2snc(C)c2C#N)cc1 341723987 UNORECGGXAAIIQ-UHFFFAOYSA-N 287.388 3.724 30 20 CHED C=C(C)CN1CCC(NC2CC(C)(c3ccccc3)C2)CC1 436471830 VRFTYFYWMRVGLE-UHFFFAOYSA-N 298.474 3.737 30 20 CHED CCc1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 345487507 RCARQEIUKBETKD-CMDGGOBGSA-N 292.342 3.671 30 20 CHED N#Cc1cccc(OCCNc2cc(F)ccc2Cl)c1 525688248 AMXUYINGUXFVCV-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CCc1nc(CSCc2ccc(C#N)cc2Cl)no1 438877537 LYQXYMKEMJKVOU-UHFFFAOYSA-N 293.779 3.590 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1C[C@@H](OCC)C12CCOCC2 248621798 AVHBWRJDTGYKBH-GVDBMIGSSA-N 295.467 3.685 30 20 CHED CCN(Cc1csc(C(F)(F)F)c1)C[C@@H](C)C#N 600111822 GLKOYHJPJRWGNG-VIFPVBQESA-N 276.327 3.748 30 20 CHED N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 609177247 WDNUUNRVOVSFEJ-SFHVURJKSA-N 290.366 3.829 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCCc2sccc21 349930720 FSLHURKFQVIPHS-AAEUAGOBSA-N 278.421 3.779 30 20 CHED C=CCN(C(=O)c1cc(F)ccc1-c1ccoc1)C1CC1 348420985 LSTYIMGYULXCKB-UHFFFAOYSA-N 285.318 3.876 30 20 CHED CC(C)(CCC#N)CN=c1[nH]c(-c2ccccc2)cs1 340882598 AHBKUEAHKRNYCZ-UHFFFAOYSA-N 285.416 3.974 30 20 CHED CC(=O)c1cc(NCc2ccc(CC#N)cc2)ccc1F 349762021 CGXNLBKEXYRIBI-UHFFFAOYSA-N 282.318 3.706 30 20 CHED C=CC1CCN(CC(=O)c2cc(C)n(C3CC3)c2C)CC1 348169966 WYWLBEHVTTYBLP-UHFFFAOYSA-N 286.419 3.521 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCCOCC1CC1 255024725 ZMAKLRCWFKSADB-UNOMPAQXSA-N 283.371 3.781 30 20 CHED C[C@@H](Sc1cccc(F)c1C#N)C1CCOCC1 600555431 KLSDFXKYRFNZCG-SNVBAGLBSA-N 265.353 3.605 30 20 CHED CCN(CC1(CC#N)CC1)[C@H](C)Cc1ccsc1 602812863 RODBDVLHFDRUFY-CYBMUJFWSA-N 262.422 3.695 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2occc2C(C)C)n1 342451146 UVRVCHFLYUQIDR-NSHDSACASA-N 274.345 3.658 30 20 CHED Cn1c(C/N=C\c2cc(Cl)ccc2O)nc2ccccc21 255629444 OUTUDGYSABXCCW-NVMNQCDNSA-N 299.761 3.551 30 20 CHED N#CC1(NC(=O)C/C=C\Cc2ccccc2)CCCCC1 602086763 SDHQDNLRJNYXCQ-WAYWQWQTSA-N 282.387 3.518 30 20 CHED CC1(C)CN(Cc2ccc(Cl)cc2C#N)CC(C)(C)O1 442890374 KAPCQZNMUOSWCY-UHFFFAOYSA-N 292.810 3.601 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)CC1(CC#N)CC1 602765443 LRZIPDVAOSKFLD-UHFFFAOYSA-N 282.309 3.831 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc3[nH]ccc3c2)no1 345919896 JCAHQJGBLHJVHZ-UHFFFAOYSA-N 290.326 3.872 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1sc(C(C)(C)C)nc1C 540393486 LIRCGFGGKGMBED-YPMHNXCESA-N 296.480 3.584 30 20 CHED CC[C@@H](NC(=O)C(C#N)(CC)CC)C1CCCCC1 52343225 NVZMNQCNVKHYBZ-CQSZACIVSA-N 264.413 3.791 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cccc(Oc2ccccc2)c1 608815156 JHWJXJPUMHXQPM-HNNXBMFYSA-N 294.354 3.901 30 20 CHED CC[C@H](C)[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)c1ccccc1 251853906 NKCJACHYBNFDLY-HJWJTTGWSA-N 284.403 3.625 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(C)cc2cccnc12)OCC 351818784 INJGNGRELVKTRK-MRXNPFEDSA-N 298.386 3.853 30 20 CHED C=CCCCc1nc(C(C)(C)c2ccccc2)no1 445471352 MKZSIWMKQIWKOA-UHFFFAOYSA-N 256.349 3.904 30 20 CHED COc1ccc(C#N)cc1NCc1cc(F)c(F)c(F)c1 354866186 IPJXPENIBFNRFF-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=CCC1(C(=O)Nc2nnc(C(F)F)s2)CCCC1 449802568 HWJMCGDOTBZZKO-UHFFFAOYSA-N 287.335 3.551 30 20 CHED Cc1cccnc1[C@H](NC[C@H](C)CCC#N)C(C)C 602547743 NPWBDVKNPDNONB-UKRRQHHQSA-N 259.397 3.617 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)C1CCC(CC)CC1 351121315 ZCZIOVPYRSSQLI-UHFFFAOYSA-N 288.439 3.747 30 20 CHED Cc1nc(N[C@H](C)CC#N)c2c(CC(C)C)csc2n1 609132615 RQUMNWPUWMAJMN-SNVBAGLBSA-N 288.420 3.912 30 20 CHED CCOc1ccc(/C=C/c2ccc(C#N)cn2)cc1F 447369524 UZKMPSBCSCJEOL-ZZXKWVIFSA-N 268.291 3.661 30 20 CHED C=CCN(C(=O)NCC1(c2ccccc2)CCCC1)C1CC1 538958749 VYHSDNFDHPVOHJ-UHFFFAOYSA-N 298.430 3.858 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)C(=O)N1CCCC[C@@H]1C 449116879 RTJKSQXSVIPPLZ-HRCADAONSA-N 280.456 3.500 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 359595532 WDGKNNQMFHAAJI-NSHDSACASA-N 296.374 3.709 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1Nc1ccccc1 538606696 CPUGARCEKUVFLW-GFCCVEGCSA-N 265.316 3.528 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCN(C)c1ccccc1 442675040 XMBRWERJFZNHSV-INIZCTEOSA-N 293.414 3.687 30 20 CHED CC1(C)C[C@@H]1c1noc(/C=C\c2cccc(C#N)c2)n1 355898935 VTATUFCQVVNZBE-FMFIFOJESA-N 265.316 3.625 30 20 CHED C=CCC[C@@H](NCCc1c[nH]c2ncccc12)c1ccco1 353629481 GABLVFWXMOIWQH-MRXNPFEDSA-N 295.386 3.996 30 20 CHED C=CC[C@H](C)[C@@H](C)NCCc1ccc2[nH]ccc2c1 442806666 CNRWHVYEAZHQSC-UONOGXRCSA-N 256.393 3.901 30 20 CHED Cc1ccccc1[C@@H](Nc1ncccc1C#N)C1CC1 352784335 SUPWMBNUMFQNRA-INIZCTEOSA-N 263.344 3.825 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)cc1Cl)c1ccncc1 610896546 LYCXLVSEQBKRPB-NSHDSACASA-N 299.761 3.739 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 610142503 SNABOBRGAGBKKC-YPMHNXCESA-N 289.354 3.788 30 20 CHED Cc1cccc(F)c1NCC#Cc1ccc(F)cc1 538452550 UIDPYSIITCDIGQ-UHFFFAOYSA-N 257.283 3.737 30 20 CHED Cc1cc(COc2ccc(C)c([N+](=O)[O-])c2)ccc1C#N 447293639 WWKVXXMSUWQMGJ-UHFFFAOYSA-N 282.299 3.662 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccccc1C(C)(C)C 611250683 MGLCTSRMJIGVQO-CYBMUJFWSA-N 272.392 3.652 30 20 CHED C=CCC[C@H](N[C@H]1CN(C)Cc2ccccc21)C1CC1 539054684 IUTSSBRFTLFSJM-ROUUACIJSA-N 270.420 3.508 30 20 CHED Cc1cc(COc2ccc3c(c2)OCCCO3)ccc1C#N 618643570 DGWQQLURTFVDSU-UHFFFAOYSA-N 295.338 3.607 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CCC[C@H](c2ccnn2C)C1 369616350 RFDKPTHFFVPYMH-HRCADAONSA-N 275.440 3.781 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618787812 OAZLDMJBIPJJAC-SJKOYZFVSA-N 284.403 3.734 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 454214630 RMEYEGMQVAMKHE-PBHICJAKSA-N 298.430 3.822 30 20 CHED C=CCCCC(=O)N(CC1CC1)c1ccc(OC)cc1 456181848 RYVBJKRULPRNDG-UHFFFAOYSA-N 273.376 3.795 30 20 CHED C=C1CCN(Cc2c(C)nc3scc(C4CC4)n23)CC1 459329531 AFDCBGIZMAMOSW-UHFFFAOYSA-N 287.432 3.734 30 20 CHED CC1(C#N)CN(Cc2cc(-c3ccccc3)cs2)C1 459595354 MGBALMGBKNVKKA-UHFFFAOYSA-N 268.385 3.761 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc(F)ccc1O 273350655 BPZNSKKUABGUGE-LBPRGKRZSA-N 296.345 3.743 30 20 CHED Cc1ccc(OCCCN2CCC[C@@](C)(C#N)C2)cc1C 612162178 LEGHYTAAPKSLGS-SFHVURJKSA-N 286.419 3.698 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(F)cc1C 451968651 JEALJNPKPJRTKM-WBVHZDCISA-N 277.383 3.598 30 20 CHED CCc1cc(N(CCC#N)CC(CC)CC)nc(C)n1 542949167 OFEWMAVHLUDTAT-UHFFFAOYSA-N 274.412 3.504 30 20 CHED CC(C)(CC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612232367 FBRYWYFVMAGXNW-GOSISDBHSA-N 284.403 3.507 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccccc1OC(F)F 453354314 KVLLJICFDZGMOV-MCIONIFRSA-N 297.345 3.672 30 20 CHED Cc1ccc2[nH]c([C@H]3CCCN([C@H](C)CCC#N)C3)nc2c1 276306117 LDEPZMVMTUBMGQ-CABCVRRESA-N 296.418 3.743 30 20 CHED N#CCN(Cc1ccc(-c2cccc(F)c2F)o1)C1CC1 361566719 RUZNQYFLBZGPES-UHFFFAOYSA-N 288.297 3.713 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccccc1SCC 453335551 AHNREVQPZKUTRB-ZIAGYGMSSA-N 279.449 3.776 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1ccc(OC)cc1 455316726 WAMGRVUPMUCJRM-INIZCTEOSA-N 288.391 3.508 30 20 CHED C=C(CC)CNC(=O)CSCc1ccc(Cl)cc1 453004571 AVSHCLIFRNSDRI-UHFFFAOYSA-N 283.824 3.656 30 20 CHED CCCOc1ccc(CNCC(C)(C)CC#N)cc1OC 459693637 NSXRVBJRPUWPJU-UHFFFAOYSA-N 290.407 3.513 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(C#N)c(F)c1 361863534 XBWXHZDSVYGLEC-UHFFFAOYSA-N 284.334 3.521 30 20 CHED C[C@H](NCCCC#N)c1ccc(-c2ccccc2)o1 273282761 QPYAFPQNZZFNMW-ZDUSSCGKSA-N 254.333 3.901 30 20 CHED C=CCC[C@@H](C)NCCOc1ncc(Cl)cc1Cl 541742910 DCJSGPCAJQPSIK-SNVBAGLBSA-N 289.206 3.712 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 625464968 KCBNMVIHUSLFOT-DLBZAZTESA-N 269.388 3.523 30 20 CHED C[C@H]1CCN(c2c(C#N)nnc3ccccc23)CC12CCC2 271309057 IEWRCBZNMNOWHH-ZDUSSCGKSA-N 292.386 3.518 30 20 CHED C=CCCC(C)(C)NC(=O)CSc1ccccc1 620864098 PZCVOPWKPDXQRA-UHFFFAOYSA-N 263.406 3.640 30 20 CHED Cc1ccnc(N[C@H]2CCCOc3ccccc32)c1C#N 272976116 ACBCCUKUFKZJSL-HNNXBMFYSA-N 279.343 3.588 30 20 CHED CCN(Cc1cc(F)ccc1C#N)c1ccccc1OC 469296840 HHMMIWMJUDJHJW-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CC[C@H](NCCc1ccc(Cl)nc1)c1ccc(C#N)cc1 278631634 GYZDTVGJASQYID-INIZCTEOSA-N 299.805 3.890 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1OC)C1CC1 271498850 IWRMBHOMAYTYFC-UHFFFAOYSA-N 280.755 3.531 30 20 CHED C[C@H](C(=O)NCc1ccc(Cl)cc1)c1cccc(C#N)c1 461769001 WQRXTVAPAKKBDP-LBPRGKRZSA-N 298.773 3.632 30 20 CHED C=CCOc1ccc(Oc2cc(C(C)C)ncn2)cc1 462936614 XZGSYXQHXXMVQZ-UHFFFAOYSA-N 270.332 3.957 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCCc2cccnc21 286880985 DGACXCCMGJOACF-INIZCTEOSA-N 286.419 3.754 30 20 CHED CC(C)O[C@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C 556606019 PUXCMHXVCGFJAB-SJORKVTESA-N 298.430 3.729 30 20 CHED CCC(CC)(CC)[S@@](=O)Cc1ccccc1C#N 283568987 ZSQDNSJQNSMKEF-SFHVURJKSA-N 263.406 3.776 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 466642745 BPSWXAXKEUGLRJ-OLZOCXBDSA-N 297.320 3.843 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(-c2ncco2)ccc1C 371136034 JLUXTRTYEVVMBT-UHFFFAOYSA-N 291.738 3.524 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)C1CCCC1 551811717 FSRMRMVYXGNAFS-CYBMUJFWSA-N 254.377 3.716 30 20 CHED C=CCC[C@H](NC[C@H](O)c1cccc(F)c1)c1ccco1 286048621 KYLJIXXGEXMFKY-HOTGVXAUSA-N 289.350 3.749 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H](OCC)C12CCCC2 467335500 KZUGBEORXDQOLU-CVEARBPZSA-N 291.435 3.609 30 20 CHED C=CC[C@H](CC)NCc1ccc(SC)c(OC)c1 466402575 YBLKCXTWCFFAAK-ZDUSSCGKSA-N 265.422 3.861 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@H](C)c1cccc(C)c1 557062546 YEHYQMCZAYDZCT-CYBMUJFWSA-N 293.370 3.651 30 20 CHED C=CCCCCNC(=O)c1cc2ccc(C)cc2[nH]1 474596880 VVBFYWGKYYDPDI-UHFFFAOYSA-N 256.349 3.562 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2csc(C)c2)CC1 297542404 FCRJNGXGRQFPMX-CQSZACIVSA-N 278.465 3.748 30 20 CHED C#CC[C@H](NC(=O)c1oc(C(C)C)nc1C)c1ccccc1 293589871 XCRFLUDUBRTJLQ-HNNXBMFYSA-N 296.370 3.601 30 20 CHED Cc1ccc(F)cc1COC(=O)CCCCCC#N 805696890 OJBNSAWITWQBAH-UHFFFAOYSA-N 263.312 3.651 30 20 CHED C=CCCCCN[C@H](COC)c1ccc(F)c(F)c1 471615839 YBXMAANKDQJGNI-OAHLLOKOSA-N 269.335 3.598 30 20 CHED C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(F)c1 297774392 PZWBUEYAINOOLI-SJCJKPOMSA-N 287.334 3.904 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1ccsc1 644949113 OUVBWNQORUGVAJ-LLVKDONJSA-N 266.410 3.711 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(Cl)cc1C(F)(F)F 472356378 QPKHBDXWFVZYEY-SSDOTTSWSA-N 277.673 3.663 30 20 CHED C=CCCc1noc(-c2cnn(C3CCCCC3)c2C)n1 297228802 HRDXVEYKUNCIRZ-UHFFFAOYSA-N 286.379 3.865 30 20 CHED Cc1csc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1 297061421 MKJXFYLJQAFJQP-UHFFFAOYSA-N 297.383 3.755 30 20 CHED C[C@H](CCC#N)N[C@@H]1CCC[C@@H]1Cc1ccccc1 298359294 CGYAXNYHLNUNER-DJIMGWMZSA-N 256.393 3.680 30 20 CHED CCCCCCCCc1nc(-c2coc(C)n2)no1 809507538 HQTDVDSOVVUICM-UHFFFAOYSA-N 263.341 3.936 30 20 CHED CC[C@@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297642411 CVYYJMRQXWOMQK-SECBINFHSA-N 264.394 3.902 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccccc2C(F)(F)F)no1 290121640 GKKHRIYPYSPJET-ZDUSSCGKSA-N 295.264 3.947 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCCCCC1 564503118 XOWNTQRVMMBXGV-UHFFFAOYSA-N 288.439 3.892 30 20 CHED C#C[C@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1ccc(Cl)cc1F 804421343 MNRWOVJECBHHKY-ZETOZRRWSA-N 293.769 3.706 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc(C#N)cc2F)co1 806557886 KZHMPPWCKPROSA-AATRIKPKSA-N 284.290 3.705 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1)C(C)(C)C 808316059 PDQDVBGENQKQJD-HZPDHXFCSA-N 284.403 3.581 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(c2ccccc2C)CC1 645490385 JGROESHXDYPLBP-CQSZACIVSA-N 272.392 3.638 30 20 CHED C#C[C@@H](CC)NCc1ccc(SC(F)F)cc1 809685693 LQLZFBJOAHVCFS-NSHDSACASA-N 255.333 3.503 30 20 CHED CCCC[C@H](NC[C@@H](C#N)CCC#N)c1ccc(OC)cc1 568975429 GKODQTJFUIMRQK-QAPCUYQASA-N 299.418 3.960 30 20 CHED CCCc1occc1C(=O)N[C@H](C#N)c1ccc(CC)cc1 568524863 PFJUSWBBPLPEMG-MRXNPFEDSA-N 296.370 3.789 30 20 CHED C=CCCCS(=O)(=O)Oc1ccc2ccccc2c1 813641567 XGCOMDVLPIHJNN-UHFFFAOYSA-N 276.357 3.515 30 20 CHED N#Cc1ccc([C@H](O)CNc2cccc(C3CCC3)c2)cc1 819487190 MRJFMNJARAWNPP-LJQANCHMSA-N 292.382 3.971 30 20 CHED Oc1ccc(-c2ccccc2)cc1C=NOC1CCC1 812235698 OLZVALAQBJBZFZ-UHFFFAOYSA-N 267.328 3.962 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 563837184 TUGDXOZYRJOWJD-KFWWJZLASA-N 281.440 3.641 30 20 CHED c1ccc([C@@H]2CCC(=NNc3ccccn3)C2)cc1 814731489 BNSJIRDERXBVNB-CQSZACIVSA-N 251.333 3.817 30 20 CHED N#Cc1ccc(NCCc2ccccc2O)cc1Cl 811775415 YAKVBLOTPGLXFW-UHFFFAOYSA-N 272.735 3.572 30 20 CHED C=CCC1(NCc2ccc(Cl)c(F)c2)CCOCC1 657633327 LZWZDNPGSPXMHM-UHFFFAOYSA-N 283.774 3.694 30 20 CHED C=C(C)CCNc1ccc(Br)c(C(=O)OC)c1 578936994 PXVRWSNMHBVDET-UHFFFAOYSA-N 298.180 3.614 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@H](C2CC2)C1)c1ccccc1 489616191 CZIIGFBDQWGLOM-ZWKOTPCHSA-N 283.415 3.995 30 20 CHED C=CCn1cccc1C(=O)NC[C@H](C)c1cccc(C)c1 488968724 CJIFQQGWMUYEPB-HNNXBMFYSA-N 282.387 3.516 30 20 CHED C#CCCc1noc(C2(c3ccccc3C)CCCC2)n1 810289927 KYZWBZKYFJYCCP-UHFFFAOYSA-N 280.371 3.804 30 20 CHED N#Cc1ccccc1Cn1cccc1C=NOC/C=C\Cl 811672077 PFPFLIXDEFQJMW-RXWHTHHASA-N 299.761 3.511 30 20 CHED CCCCNc1ccc(Oc2ccnc(C#N)c2)cc1 576216610 XGOKQOHPHJJLGU-UHFFFAOYSA-N 267.332 3.958 30 20 CHED C=CCCC(CCC)=NNc1ccccc1C(=O)O 814768118 JALNISTWYVZYPE-UHFFFAOYSA-N 260.337 3.919 30 20 CHED C=CCN(C)C(=O)[C@@H](C)c1cccc(CC(C)C)c1 574830296 LUFPBBJKTXLMJR-AWEZNQCLSA-N 259.393 3.633 30 20 CHED FC(F)(F)c1cnc2c(c1)C(=NOCC1CC1)CCC2 814243963 AAEZEOGKSSBRHE-UHFFFAOYSA-N 284.281 3.567 30 20 CHED C#CCCCc1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 817102291 LBTKXDWPOQREED-UHFFFAOYSA-N 298.239 3.850 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCCC1CCCC1 726352505 WWVGRRZOFMAFQP-MDZDMXLPSA-N 269.344 3.695 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1ccccc1Cl 814690861 BTKGXIKERZXIPY-UHFFFAOYSA-N 280.755 3.773 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2c(C)cccc2C1 814460923 UMONTOZSDOLNDH-UHFFFAOYSA-N 286.419 3.665 30 20 CHED C=CCC[C@H](CCC)NC[C@@H]1COc2ccccc21 578396667 YTUXUYDDRHYEDB-CABCVRRESA-N 259.393 3.887 30 20 CHED C#CCN(CC1CC(F)(F)C1)[C@@H]1CCc2ccccc21 827484538 ZYBJTOKRDDBHPO-MRXNPFEDSA-N 275.342 3.654 30 20 CHED C=C[C@H](Cc1nc(-c2ocnc2C)no1)c1ccccc1 820912419 QKXOBXCAKABJGW-GFCCVEGCSA-N 281.315 3.545 30 20 CHED C=CCCC1(c2nc(-c3ccc4c(c3)OCCO4)no2)CC1 572680500 MGXRGQXJEDJECA-UHFFFAOYSA-N 298.342 3.506 30 20 CHED C=C(C)CCc1noc(COc2ccc(Cl)c(F)c2)n1 571945604 OHDWKNYVMCGSNQ-UHFFFAOYSA-N 296.729 3.950 30 20 CHED C#Cc1cccc(NC(=S)N(C)c2ccccc2OC)c1 726472956 DOZPMGTUMXRYFO-UHFFFAOYSA-N 296.395 3.510 30 20 CHED CSc1ccc(C=Nn2cnc3ccccc32)cc1 725849847 UMXYQBOSRPKGHY-UHFFFAOYSA-N 267.357 3.640 30 20 CHED CC#CCCNC(=O)c1ccc(Oc2ccccc2)cc1 498601471 HEVHVMVFRFJSGX-UHFFFAOYSA-N 279.339 3.622 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C\c1cccc(F)c1 728871434 QHSFCEMFVSFNQZ-FPLPWBNLSA-N 288.366 3.627 30 20 CHED Fc1ccc(-n2cc(C=NOCc3ccccc3)cn2)cc1 728174195 LGMBMOCLICNZGX-UHFFFAOYSA-N 295.317 3.562 30 20 CHED CC(C)Oc1cncc(-c2ccc(F)c(CC#N)c2)c1 904831639 OUZCGHQCQLLKAC-UHFFFAOYSA-N 270.307 3.741 30 20 CHED C=C(C)C(C)(C)c1nc([C@@H](OCC)C(C)C)no1 904125121 IHJGMIKBUZTTIF-NSHDSACASA-N 252.358 3.657 30 20 CHED Cc1c(COC(=O)c2ccc(C#N)cc2)oc2ccccc12 734291772 RERALWPKIUIAAV-UHFFFAOYSA-N 291.306 3.970 30 20 CHED CC(C)c1ccccc1C(=O)N(C)Cc1ccc(C#N)cc1 821092762 QSZPHNGSAPLFGI-UHFFFAOYSA-N 292.382 3.954 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)OCCCC(C)(C)C#N 820931442 IZPDYQCWOBUJNO-CHWSQXEVSA-N 251.370 3.686 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2cccc(C)c2F)no1 904710105 XMLJQQOBDDFKJN-GFCCVEGCSA-N 275.327 3.540 30 20 CHED C#CCCOc1ccc(CN[C@H]2CCC[C@H](C)C2)cc1 733324092 IFXFITPXNNYROP-RDJZCZTQSA-N 271.404 3.757 30 20 CHED C=CCC[C@@H](NC[C@@H](O)C1CCCCC1)c1ccco1 581256731 ISIPAFQPBGLHSD-HZPDHXFCSA-N 277.408 3.818 30 20 CHED C#CCN(C)C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 491701761 VDPJJYOUJSBYEJ-NTCAYCPXSA-N 299.370 3.519 30 20 CHED CCc1ccccc1-c1noc(CCCCCC#N)n1 589083210 SUFDCHQSOUWVBP-UHFFFAOYSA-N 269.348 3.925 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C3CC3)n2CC(=C)C)C1 669302836 RZIKDCCQXDSWEV-CQSZACIVSA-N 286.423 3.524 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2sccc2C2CC2)C1 839053446 SEXBQRSQDFZGGC-PWSUYJOCSA-N 275.373 3.865 30 20 CHED C#Cc1ccc([C@@H](OC(=O)CCC=C)C(F)(F)F)cc1 836081462 VOODZRWINLOPGE-CQSZACIVSA-N 282.261 3.781 30 20 CHED C/C(=C\C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 839048462 MTSODXAPARKQNY-AWIOHZCQSA-N 269.344 3.715 30 20 CHED C#Cc1ccc(C(=O)N(CC(C)C)c2ccc(C)cc2)cn1 837071439 UYJFQZYHBDOFAW-UHFFFAOYSA-N 292.382 3.674 30 20 CHED CCCCC(CC)=NNC(=S)Nc1ccccc1OC 732923872 KQMUPFBQDHYDNK-UHFFFAOYSA-N 293.436 3.938 30 20 CHED CC(=NNc1ccc(F)cn1)c1cc(C)cc(C)c1 731318609 JEKKGZWHDLHTKL-UHFFFAOYSA-N 257.312 3.674 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1CCc2ccc(F)cc21 583789734 SMWJFMKKDQJQLM-OAHLLOKOSA-N 290.382 3.715 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839052309 NEDJVTGDVKURFR-ZIAGYGMSSA-N 297.354 3.909 30 20 CHED Cc1c(CNCCC#N)sc2ccc(Cl)cc12 580305617 MQHPGMZCTUMBFK-UHFFFAOYSA-N 264.781 3.866 30 20 CHED Cc1cc([C@@H](C)NCC2(C#N)CC2)sc1Br 903106265 NQPLENOKYLPQON-SECBINFHSA-N 299.237 3.773 30 20 CHED O=C(C1[C@H]2CCCC[C@H]12)N(O)Cc1cccc2ccccc12 900091560 BELYHQYVITZQBH-IRXDYDNUSA-N 295.382 3.994 30 20 CHED N#CC1(N(C(=O)c2ccc(F)c3occc23)C2CC2)CCC1 904820497 WOLJDYFGTAVHJD-UHFFFAOYSA-N 298.317 3.623 30 20 CHED C#CCOc1cccc(OC(=O)c2ccccc2Cl)c1 730500223 HIYVJEWYGXPHJK-UHFFFAOYSA-N 286.714 3.571 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)C1(c2ccccc2)CCCC1 580555408 QYGDRIIWCPKOQT-SJORKVTESA-N 295.430 3.920 30 20 CHED CC(C)CN(CCC#N)Cc1csc(-c2ccoc2)n1 739914302 HNFOOBSGPLHCHT-UHFFFAOYSA-N 289.404 3.775 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 837576836 WCRRULCMOKXNPS-IRXDYDNUSA-N 283.415 3.879 30 20 CHED CC[C@H](CC(=O)O[C@@H]1CCC[C@H](C#N)C1)C(C)C 839048225 CLYWGBTVTSXSJU-BFHYXJOUSA-N 251.370 3.684 30 20 CHED C#CCCCCCC(=O)Nc1cc2cc(OC)ccc2[nH]1 834328592 PSTKMRVJQYLKEY-UHFFFAOYSA-N 284.359 3.699 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCC(C)(F)F 591808409 GQGFGGGFTRKOHY-NSHDSACASA-N 280.318 3.513 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@H](c2cccc(F)c2)C1 595300090 MJSAFBDTBHLOPN-WMZOPIPTSA-N 280.346 3.880 30 20 CHED CN(C)CCc1ccc(-c2ccc(CC#N)s2)cc1 593950927 CKQXVWPSUXLMRB-UHFFFAOYSA-N 270.401 3.585 30 20 CHED N#CC[C@@H]1CCCN(CC[C@H]2CCc3ccccc32)C1 595616907 PHSCBNOSMMUMPV-DOTOQJQBSA-N 268.404 3.732 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccc(Cl)nc1)C2=O 748997382 JXMJVLYRQAOXBB-KPKJPENVSA-N 285.730 3.702 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)c(F)c1)C2 747441338 VRTOEPVDCFSELF-AUWJEWJLSA-N 282.314 3.965 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccc2c(c1)CCCCC2 593275299 WZGJOUMMGOLRCM-UHFFFAOYSA-N 299.418 3.969 30 20 CHED Fc1cc(NN=Cc2cccc(F)c2F)cc(F)c1F 747641913 HKKQMISMWMXYMI-UHFFFAOYSA-N 286.203 3.828 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)c1ccc(C)c(C)c1 748233942 MPLGSZMCDPROKQ-CQSZACIVSA-N 274.360 3.774 30 20 CHED CCN(C(=O)CCc1ccc(C(C)C)cc1)[C@@H](C)C#N 598352448 KIOORIXVQGEOJU-AWEZNQCLSA-N 272.392 3.503 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(O[C@H]2CCOC2)cc1 849246851 LXVZOQVAXPIXNP-RRGWEWPQSA-N 298.338 3.652 30 20 CHED CC(CCCCC#N)=NNc1cc(C(F)(F)F)ccn1 841640880 QCYUVYZTIJGZKD-UHFFFAOYSA-N 284.285 3.972 30 20 CHED CCOc1ccc(O)c(/C=N\CC(C)(C)c2ccccn2)c1 840706829 KWVUUAUAIGGLLY-UNOMPAQXSA-N 298.386 3.583 30 20 CHED N#Cc1ccc(NN=Cc2nccc3ccccc23)cc1 740760964 RWLONOKBCNTFTN-UHFFFAOYSA-N 272.311 3.552 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC[C@H](CC#N)C1 595533970 DHGHYCGUSKETON-KFWWJZLASA-N 291.439 3.536 30 20 CHED N#CC[C@@H]1CCCN(CCCSCc2ccccc2)C1 595621690 XSFVXUSYAQIGPP-INIZCTEOSA-N 288.460 3.936 30 20 CHED C=C(Cl)C[S@](=O)Cc1coc(-c2ccc(C)cc2)n1 747598640 AGLDJTFIXANJHZ-IBGZPJMESA-N 295.791 3.651 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)CCC1CCCC1 741638808 JPRMAYJVCOXCEB-UHFFFAOYSA-N 289.350 3.747 30 20 CHED Cc1ccoc1CC(=O)N(c1ccc(C#N)cc1)C1CCC1 598886407 SKGVVMNUIQAUAD-UHFFFAOYSA-N 294.354 3.588 30 20 CHED CC[C@@](C)(C/N=C\c1cc(Cl)cc(Cl)c1O)OC 840706424 IEHCAPMEBYSQIJ-BWADBZPLSA-N 290.190 3.933 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1ccccc1C 916249371 HFEDUEXUGIXOQO-UHFFFAOYSA-N 269.304 3.739 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 599527313 KJELLYAOMWSGLN-XZKMEQPCSA-N 296.414 3.687 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)CC2(C#N)CCCCC2)C1 597294407 QVOSCVBOSNFGQF-HUUCEWRRSA-N 276.424 3.888 30 20 CHED N#CCOc1cccc(OC(=O)C2CCCCCCC2)c1 841345718 LULBPBZMPLDTJB-UHFFFAOYSA-N 287.359 3.855 30 20 CHED CCc1nocc1CN(Cc1ccc(C#N)cc1)C(C)C 590345609 MZCWALRMNLRIFI-UHFFFAOYSA-N 283.375 3.519 30 20 CHED CC(=NNCC(F)F)c1ccc(Cl)c(Cl)c1 740617611 KWRNRBIFOPCTLY-UHFFFAOYSA-N 267.106 3.572 30 20 CHED CC(C)C[C@@H](C(=O)N(C)CCC#N)c1ccc(Cl)cc1 596912025 IRAXMWATBAQNDR-OAHLLOKOSA-N 292.810 3.842 30 20 CHED CC(C)CC1(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 598403399 AOYVFELHWUZTHE-MRXNPFEDSA-N 284.403 3.769 30 20 CHED C=C(C)CONC(=O)Nc1ncc(C2CCCCC2)s1 844613111 JAWBRQVLKAXXII-UHFFFAOYSA-N 295.408 3.820 30 20 CHED CCCCCCCCOCC(=O)NC1(C#N)CCCCC1 741682279 QJMMGDPCCQXFNW-UHFFFAOYSA-N 294.439 3.706 30 20 CHED C#CCCOC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744049817 ZMKNNKBSNXCOLJ-CHWSQXEVSA-N 283.154 3.663 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)C1CCC1 684277880 LFAYMCMTOVTBAE-OAHLLOKOSA-N 286.419 3.963 30 20 CHED CCCCON=Cc1ccc(OC(C)C)c(OC)c1 754275378 BBCBWTZAUOSKBO-UHFFFAOYSA-N 265.353 3.633 30 20 CHED C[C@H]1CC/C(=C\C(=O)Nc2sc3c(c2C#N)CCC3)C1 753624088 RUDRXYRRDVTVEW-NGPGYTDTSA-N 286.400 3.793 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 754390544 VZGYRSWQIZEPBU-HUUCEWRRSA-N 277.795 3.608 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CC1(Cl)Cl 754853353 GFVLXYHQNGGTSA-JTQLQIEISA-N 266.212 3.657 30 20 CHED C=CCCN1CCc2cc(-c3ccccc3)oc2C1 752312334 HSWJEMHOJSAJSJ-UHFFFAOYSA-N 253.345 3.881 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C2CCC3(CC2)CC3)C1 851084850 XWQHDHPOOVPCCT-JSGCOSHPSA-N 261.365 3.582 30 20 CHED C[C@H](CNC(=O)Nc1ccc(F)cc1C#N)C(C)(C)C 751553996 IDVDFEYPKLKZRA-SNVBAGLBSA-N 277.343 3.501 30 20 CHED CC[C@H]1CCCC1=NNc1ccc(Br)nc1 758370615 PCTQFNIUJZQUED-VIFPVBQESA-N 282.185 3.822 30 20 CHED C#CC[C@@H](NC(=O)NC[C@H](C)C(C)(C)C)c1ccccc1 757030712 NJRDHULTQBPBFP-GOEBONIOSA-N 286.419 3.732 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 758360480 WLFXFKGAOIUGIT-HTQZYQBOSA-N 287.241 3.667 30 20 CHED C(=NO[C@H]1CCCCO1)c1cc2ccccc2s1 755824267 PIZMGWZMYMBJBF-AWEZNQCLSA-N 261.346 3.778 30 20 CHED Fc1ccc(/C=C/C=NOCc2cccnc2)c(F)c1 758130403 WLLDQHBFTQLKFN-SYPVVDJISA-N 274.270 3.576 30 20 CHED COc1ccc(O)c(C=Nc2ccc(C#N)cc2Cl)c1 767691164 SIGAPHPDOPIYAQ-UHFFFAOYSA-N 286.718 3.676 30 20 CHED C=CCC[C@@H](CC)Nc1ccc2c(c1)C[C@@H](OC)C2 760885887 MNGFFJGDTHIEGR-WBVHZDCISA-N 259.393 3.957 30 20 CHED C[C@H](Nc1ccc(C#N)nn1)c1csc2ccccc12 767229932 JOCYPXLFLJUSNI-JTQLQIEISA-N 280.356 3.736 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC)[C@@H](CC)c1ccncc1 933345557 ROFVENNYWKRXLB-HOCLYGCPSA-N 274.408 3.984 30 20 CHED C=C(Cl)CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 768542133 KNPBAXRTFKOMJY-LBPRGKRZSA-N 296.867 3.954 30 20 CHED C/C(=C/C(=O)OC1(C#N)CCC1)c1ccccc1Cl 762091396 KIVKSNPMXGXVFI-LUAWRHEFSA-N 275.735 3.733 30 20 CHED CCC[C@H](C/N=C\c1cc2ccccc2nc1O)OCC 864345438 WWXXLIUBIUQOCF-JQFNYASXSA-N 286.375 3.565 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2nc3ccccc3[nH]2)C1 768353388 YFGYXDXTANKBMH-NEPJUHHUSA-N 256.353 3.787 30 20 CHED CCN(C[C@H](O)c1ccc(C#N)cc1)c1ccc(C)cc1C 763493079 NBJGSKQPXHXFER-IBGZPJMESA-N 294.398 3.735 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc(Cl)cs1 760260064 BGHLXXKTMCTDSO-UHFFFAOYSA-N 284.812 3.803 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(O)c2)cnc1Cl 760261412 BFIIMGLRLHGZLQ-WAYWQWQTSA-N 273.719 3.645 30 20 CHED CC#CCCCC(=O)N(CC)c1ccc(CC)cc1 767067031 FWXMYGIIZQVWDJ-UHFFFAOYSA-N 257.377 3.796 30 20 CHED Clc1ccc(NN=CC2([C@@H]3CCCCO3)CCC2)cn1 872353759 OOKZLXLCBGMUSQ-ZDUSSCGKSA-N 293.798 3.872 30 20 CHED C=CCC[C@@H](N[C@@H](C)C(=O)OCCC)c1ccccc1 775462906 GGAHEQVNBUZADZ-GOEBONIOSA-N 275.392 3.625 30 20 CHED C[C@H]1CC[C@H](OC(=O)c2ccc(C#N)c(Cl)c2)C1 777776419 PUJJDOJXHXSYMX-CABZTGNLSA-N 263.724 3.557 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCO[C@H](C)C1 770848005 ZEMCJLFKFIDJMO-CABCVRRESA-N 269.429 3.668 30 20 CHED CCCCCCCC(=O)N[C@@](C)(C#N)C(C)(C)C 779464311 PJRPNMGDNKRUHW-HNNXBMFYSA-N 252.402 3.791 30 20 CHED Cc1cccc(N(C)C(=O)Cc2ccccc2CC#N)c1C 776835743 CVQTZCOFQHAAHJ-UHFFFAOYSA-N 292.382 3.575 30 20 CHED CC(=NNc1cc(Cl)ccc1F)[C@H]1CCCOC1 872418651 YMPIAUQYEWSRGD-JTQLQIEISA-N 270.735 3.694 30 20 CHED C=C1CC(c2noc(-c3ccc(-c4nc(C)no4)cc3)n2)C1 1119521137 LSZKYJPMENVWEM-UHFFFAOYSA-N 294.314 3.529 30 20 CHED C=CC(C)(C)CC(=O)NCC1CCC(F)(F)CC1 879877021 MRBHYGCMTXIJRK-UHFFFAOYSA-N 259.340 3.530 30 20 CHED C#CC[C@H](NCCOc1cccc(F)c1)c1ccccc1 775401260 XWOHMQUQYZPECA-SFHVURJKSA-N 283.346 3.559 30 20 CHED C[C@H]1CC[C@@H](OC(=O)c2ccc(C#N)c(Cl)c2)C1 777776420 PUJJDOJXHXSYMX-JOYOIKCWSA-N 263.724 3.557 30 20 CHED C#CCCCCC(=O)N(CC(C)C)c1ccc(OC)cc1 773291881 HKKFQSVVIXHMQF-UHFFFAOYSA-N 287.403 3.878 30 20 CHED CCCCCCCCOCC(=O)Nc1ccc(C)nc1 770326655 YTIQWAWQDMVJDO-UHFFFAOYSA-N 278.396 3.706 30 20 CHED CCC(C)(C)N(C)CC[C@](C#N)(C(C)=O)c1ccccc1 878245958 HGXSAPCGWNONMI-SFHVURJKSA-N 286.419 3.547 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(C#N)cc1F 772797349 PFLHYRDCQBCREB-HJWRWDBZSA-N 265.287 3.902 30 20 CHED C#CCCN[C@@H](c1ccc(OCC)c(OCC)c1)C(C)C 774825636 CJYDVBWSXPAWKV-GOSISDBHSA-N 289.419 3.794 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc3oc(C)c(C)c3c2)cn1 774774487 BXVDECUDTXOVAP-UHFFFAOYSA-N 290.322 3.678 30 20 CHED CSc1ccccc1C(=O)OCCC(C)(C)C#N 776363335 UXQZVWAZKBWPHE-UHFFFAOYSA-N 263.362 3.505 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCCC1CC1 1559555126 RVPCACYGCQKKRW-MSOLQXFVSA-N 268.404 3.948 30 20 CHED C#CCCN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 770688395 XNQKGSLZRIWGMW-AWEZNQCLSA-N 299.361 3.819 30 20 CHED Cc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1F 1560589639 WLVJIIWYRVWWJG-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C=C(C)[C@H](C)OC(=O)c1ncc(C(F)(F)F)cc1Cl 1122829107 QXAZRPKUDMHTEG-ZETCQYMHSA-N 293.672 3.875 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)cc1 777911700 MIJFEWZEBXBPFO-VQHVLOKHSA-N 285.274 3.938 30 20 CHED C=C(C)Cn1c([C@H]2CCC(F)(F)C2)nnc1N(CC)CC 1122538815 DVZQOBKMHUEDOH-LBPRGKRZSA-N 298.381 3.603 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2ccccc2O[C@H](C)C#N)o1 780153559 KFWXEXQZNNSTIC-CHWSQXEVSA-N 298.342 3.621 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1scnc1C1CC1 782285197 BNZNCTGINFJERH-GFCCVEGCSA-N 263.410 3.523 30 20 CHED C#CCN(C(=O)NCc1cscc1C)C1CCCCC1 787337443 MBMGZDZKXOVDGP-UHFFFAOYSA-N 290.432 3.534 30 20 CHED Cn1cc(C(=O)OCCCC(C)(C)C#N)c2ccccc21 782540590 LUHRMWZNFKCMFX-UHFFFAOYSA-N 284.359 3.665 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 1123364371 IOJXLECHUJSDBP-ZDUSSCGKSA-N 289.335 3.557 30 20 CHED C(=NNCCc1ccccn1)c1ccc(-c2ccccc2)o1 789104797 KCTPOOXFNHWHSJ-UHFFFAOYSA-N 291.354 3.508 30 20 CHED CCOCCC=NNc1ncc(C(F)(F)F)cc1Cl 788406875 AAPGZFCVXAWRNE-UHFFFAOYSA-N 295.692 3.578 30 20 CHED Cc1cccc(C)c1CN1CCc2ccc(C#N)cc21 1473349912 RCBOALDFEQCBFF-UHFFFAOYSA-N 262.356 3.738 30 20 CHED Clc1ccc(NN=Cc2sccc2Cl)cn1 782237870 DUJKQSSKSVNHPN-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CCc1ccc([C@H](CC)NCc2ccc(C#N)cn2)cc1 783292984 FAYDEIKSWQPJKU-SFHVURJKSA-N 279.387 3.757 30 20 CHED CCCCCCCCCNC(=O)c1csnc1C 781267313 SZFSFZCBCNHVLM-UHFFFAOYSA-N 268.426 3.932 30 20 CHED C=CCC(CC=C)C(=O)OCCCC1CCOCC1 789557322 YJMSQAAOKMFHHS-UHFFFAOYSA-N 266.381 3.505 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccc(Cl)nc3)cn2c1 789141996 IPKVAYAVAXGDPG-PLNGDYQASA-N 297.745 3.587 30 20 CHED CCc1cccc2c(C=NNc3ncncc3Cl)c[nH]c12 780283275 RRWHIGWCOJUTAS-UHFFFAOYSA-N 299.765 3.620 30 20 CHED O=[N+]([O-])c1cc(C=NNC2CCCCC2)ccc1Cl 786042874 BVAOGBTYOXRGFX-UHFFFAOYSA-N 281.743 3.504 30 20 CHED COc1cccc2c1C/C(=C/c1scnc1C1CC1)C2=O 782347752 MZYQELVVOCAMIV-FLIBITNWSA-N 297.379 3.852 30 20 CHED CC1(C(=O)OCC(=O)c2ccc(C#N)cc2)CCCCCC1 781304889 JERMNQWRAJEFAB-UHFFFAOYSA-N 299.370 3.645 30 20 CHED C[C@@H](OC(=O)c1cc2ccccn2c1)c1cccc(C#N)c1 785996351 RQMWNKLFHOANHI-CYBMUJFWSA-N 290.322 3.729 30 20 CHED N#Cc1nc(N[C@H](c2ccncc2)C2CC2)ccc1Cl 897423912 SOFPHJWHJNLEQZ-HNNXBMFYSA-N 284.750 3.565 30 20 CHED C=CCC(C)(C)C(=O)OCc1nc(C2CC2)cs1 796461488 JCUCAIGMWQPUCV-UHFFFAOYSA-N 265.378 3.666 30 20 CHED Cc1ccc(C(=O)Nc2cccc3cnccc23)cc1C#N 799833134 VHZGOCWSWBRZOS-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CCc1ccc(NC(=O)Nc2sccc2C#N)cc1 1202932461 YMPAHPSLQJVPQH-UHFFFAOYSA-N 271.345 3.826 30 20 CHED C=CCC(C)(C)C(=O)OCc1nc([C@H](C)SCC)no1 796463412 PCCDFPDQEQIRPR-JTQLQIEISA-N 298.408 3.529 30 20 CHED Cc1cccnc1NN=Cc1ccc2ccccc2c1 790185787 JGTPBAFTALTTCJ-UHFFFAOYSA-N 261.328 3.989 30 20 CHED Clc1cccc(NN=Cc2coc3ccccc23)n1 793162972 UPNBQAPBAOFFCE-UHFFFAOYSA-N 271.707 3.927 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2cc(C)ccc2F)[C@@H]1C 794519878 IRHQXJRLCFJBNI-NEPJUHHUSA-N 292.354 3.511 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1ccnc2c(F)cccc12 797836487 RBQHEEWPRQTRIQ-SJCJKPOMSA-N 286.350 3.767 30 20 CHED Cc1ccc(-c2nc(/C=C\C(=O)c3cc(C)on3)co2)cc1 798229799 DOQYOVMJNHSOTC-FPLPWBNLSA-N 294.310 3.843 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1nccs1 80266699 LHWIZZSUKMYGTG-LBPRGKRZSA-N 274.389 3.559 30 20 CHED C=C(CC)CN1CCC[C@H]1C[C@H](O)c1cccs1 773424738 OASHNCDIZSLHRP-KBPBESRZSA-N 265.422 3.602 30 20 CHED Cc1cccc(CNc2nc(C#N)c(Cl)s2)c1 1162084483 ZAZFZZOIUVRCCT-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CCC[C@@H](C(C)C)C2)n1 1162461112 SGAARDNEFKLKET-OLZOCXBDSA-N 272.396 3.537 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NOC(C)(C)C 1319804029 VQYKRDCYXBTSJX-UHFFFAOYSA-N 264.325 3.718 30 20 CHED C=C(CNC(=O)NCc1cc(C)cs1)c1ccccc1 1312720443 NAHOZGYUVOTABJ-UHFFFAOYSA-N 286.400 3.569 30 20 CHED Cc1ccc(-c2ccccc2NC(=O)CC#N)s1 1171377333 YSJDRZCKABWHQE-UHFFFAOYSA-N 256.330 3.576 30 20 CHED N#CC[C@@H](Cc1nnc([C@H]2CCCCO2)o1)c1ccccc1 1329108994 SBJZFMLJIANGHS-LSDHHAIUSA-N 297.358 3.551 30 20 CHED COc1ccc2nc(NN=C[C@@H](C#N)C(C)C)c(C)cc2c1 1320690597 IIACKFQKQZNJMC-CQSZACIVSA-N 296.374 3.745 30 20 CHED Cc1cc(CN2CC(c3ccc(F)cc3)C2)ccc1C#N 1325014780 YCWZFGNVAJFLPP-UHFFFAOYSA-N 280.346 3.605 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(F)c1 1322617288 WSRXIGMBTHMAPU-NHCYSSNCSA-N 266.747 3.822 30 20 CHED CC1(C)CCN(C(=O)c2csc(C#N)c2)c2ccccc21 1324439284 CEENGSSRVLHFCC-UHFFFAOYSA-N 296.395 3.948 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)/C(=C/c1ccc(F)nc1)C2=O 1321464895 VQKWAHVLAZSRDL-BZPKPHBRSA-N 283.302 3.618 30 20 CHED C=C[C@H](COC)N[C@H](CC)c1ccc(Cl)cc1 1320591329 FNNOYXVRLHHBQL-ZIAGYGMSSA-N 253.773 3.582 30 20 CHED CC1(C)CCC[C@H](NCCc2ccc(C#N)cc2)C1 1258274219 OZCAFWNWBJIDTM-INIZCTEOSA-N 256.393 3.659 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc2ccccc2c1 1255018482 GBNPTYVBTKLBBI-GUYCJALGSA-N 255.361 3.691 30 20 CHED Cc1cc(COC(=O)CC#Cc2ccccc2)cs1 1333165140 DBMMRBVCORWUAS-UHFFFAOYSA-N 270.353 3.542 30 20 CHED N#CCCCCSCc1cn2cc(Cl)ccc2n1 1253079341 AGTRDVFRXQBODT-UHFFFAOYSA-N 279.796 3.915 30 20 CHED C#CCN(Cc1cc(Cl)cc(Cl)c1O)CC1CC1 1337065071 KAOLBKXDJMQWCN-UHFFFAOYSA-N 284.186 3.544 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC(c2cc(C)ccc2C)CC1 1333588463 WSGSKCITOSNXIB-IBGZPJMESA-N 298.430 3.949 30 20 CHED N#CC[C@@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccco1 1345982452 RISFMRMZEHRHRV-PWNZVWSESA-N 273.332 3.604 30 20 CHED N#Cc1ccc(NC(=O)Cc2ccc(F)c(Cl)c2)cc1 1349962532 ZWKWNLCTCBLLIV-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@@H](NCCCSCC#N)c1ccc(Cl)c(F)c1 1341745560 ILUHHYYMGAXDLB-SNVBAGLBSA-N 286.803 3.777 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)cc1F 1438609657 BZRAASQMYLTUNF-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC(C)C[C@H](C)CC(=O)O[C@H](CC#N)c1ccco1 1350311342 JOHVTNCZSSJRIO-GXTWGEPZSA-N 263.337 3.850 30 20 CHED Cc1cc(F)ccc1NCc1cccc(C#N)c1F 223728021 OCVWYHDZJBQSII-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1cccc(C(=O)NCc2cc(C3CC3)ccc2F)c1 1526610595 DRDQPYFYGIVHRL-UHFFFAOYSA-N 294.329 3.505 30 20 CHED CCc1ccc([C@@H](C)C(=O)[C@H](C#N)c2cccc(F)n2)cc1 1524703888 HDKVMFAHGHPOEV-IUODEOHRSA-N 296.345 3.763 30 20 CHED Cc1cc(OCCc2noc3ccccc23)ccc1C#N 1459065144 XEIAKCXOYZCAJK-UHFFFAOYSA-N 278.311 3.629 30 20 CHED C[C@@H](NCc1cc(C#N)cs1)c1ccc2c(c1)CCC2 1474098411 WOLCVZVJRBYWMU-GFCCVEGCSA-N 282.412 3.959 30 20 CHED Cc1nnc(NCC(C)(C)C2CCCCC2)c(C#N)c1C 1612151920 LHZBFDWXFMKUSL-UHFFFAOYSA-N 286.423 3.984 30 20 CHED CNc1ccc(C)cc1CNc1ccc(F)cc1OCC#N 1474429155 DQMHSOLSEJMURY-UHFFFAOYSA-N 299.349 3.690 30 20 CHED N#Cc1c[nH]nc1NCc1ccc(SC(F)(F)F)cc1 1474141927 UPGKVHUEMWTNJO-UHFFFAOYSA-N 298.293 3.505 30 20 CHED CCS[C@@H]1CCCCN(CCc2ccc(C#N)cc2)C1 1644583985 JOUUXVYKTMFTPX-QGZVFWFLSA-N 288.460 3.708 30 20 CHED Cc1cc(N(Cc2ccc(F)cc2F)C2CC2)ncc1C#N 1639302102 MFXDGNZPZOBVEB-UHFFFAOYSA-N 299.324 3.709 30 20 CHED Cc1ccc2sc(Sc3cc(C#N)nc(C)n3)nc2c1 1640435314 VSTNLWJQRPNHFL-UHFFFAOYSA-N 298.396 3.726 30 20 CHED Cc1c(Cl)cnc(N2C[C@H](C)CCC[C@H]2C)c1C#N 1642281849 GEHWHSYDWXYGIU-GHMZBOCLSA-N 277.799 3.930 30 20 CHED CC(C)c1ccc(CN2CCN([C@@H](C)CCC#N)CC2)cc1 1645809344 MGKNFHBDIPBDHL-KRWDZBQOSA-N 299.462 3.620 30 20 CHED C[C@H](NCc1csc(Cl)n1)c1ccc(C#N)cc1 1645614005 GGYLABBTJXDHTD-VIFPVBQESA-N 277.780 3.519 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1Cc1cc(C#N)ccc1OC 1641833726 QXMFHFAOMIMOLR-RHSMWYFYSA-N 286.419 3.967 30 20 CHED C=C(Br)CN1CCC[C@@H]1CCC(C)C 1653768260 VJYBDKQEZAZJNP-GFCCVEGCSA-N 260.219 3.796 30 20 CHED N#Cc1cc(=NCC2CCC(c3ccccc3)CC2)cc[nH]1 1642243833 FARWDVMSKIUJRH-UHFFFAOYSA-N 291.398 3.761 30 20 CHED CC(C)[C@@H]1CN(Cc2cccc(C#N)n2)c2ccccc21 1659650912 QHAVCNQMVYRXMC-KRWDZBQOSA-N 277.371 3.713 30 20 CHED CC1(CNc2ccc(Cl)c(C#N)n2)CCCCC1 1655534502 OHLNAUWKCRLFLO-UHFFFAOYSA-N 263.772 3.989 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ccc(C(=O)O)cc1 1588453517 ZMXISXWRZAGMFQ-GOSISDBHSA-N 295.382 3.662 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C2CCC2)C2CC2)c1 1672781856 YYXXRSWKYCUYIK-INIZCTEOSA-N 283.375 3.567 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccc(F)c(C(=O)O)c1 1776062978 URXLCBSPGQMLAA-VIFPVBQESA-N 278.327 3.748 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@H](C)c2cccc(Cl)c2)C1 1776157548 ZZELLIBULHJMFY-WBMJQRKESA-N 293.794 3.754 30 20 CHED COc1ccc(SCC(=O)c2cccc(C#N)c2)cc1 160674604 OJONMJOFUHXHAX-UHFFFAOYSA-N 283.352 3.542 30 20 CHED C#CCCOc1ccc(CNc2ccc3[nH]ncc3c2)cc1 163360078 VYGKCQNBTSWADO-UHFFFAOYSA-N 291.354 3.577 30 20 CHED C=CC[C@H](C)[C@H](C)NCCc1c[nH]c2ccccc12 151313389 RPDYNGAUZUBHJQ-KBPBESRZSA-N 256.393 3.901 30 20 CHED Clc1ccc(C#CCN2CCC[C@@H]2c2ccncc2)cc1 153883606 KHLWQWCJDIIXOX-GOSISDBHSA-N 296.801 3.924 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 154124366 ZPFBSVGLQWBXAO-OAGGEKHMSA-N 281.440 3.811 30 20 CHED CCC1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CCC1 159372733 UZJLWBLPTOPJHS-CYBMUJFWSA-N 276.767 3.601 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)cc2)o1 19950902 QAPDGUZQUCZWRB-ABAIWWIYSA-N 252.317 3.887 30 20 CHED C=CCCCCCCCN[C@@H]1CCCn2ccnc21 848550045 BAKKTPQIMLZQMU-OAHLLOKOSA-N 261.413 3.834 30 20 CHED CC1(C)CCN(Cc2cccc(C#N)n2)CC(C)(C)C1 1308860348 OAUNJJYEELJHQX-UHFFFAOYSA-N 271.408 3.601 30 20 CHED N#CCN(Cc1cc(Cl)cc2c1OCC2)C1CCCC1 136419970 CAEAVPAYUZZSPI-UHFFFAOYSA-N 290.794 3.543 30 20 CHED CCOc1cccc(NCc2ccc(C#N)cc2)c1 37780308 MOLXRHXCFTYDHY-UHFFFAOYSA-N 252.317 3.569 30 20 CHED CC(C)[C@@H]1CCC[C@H]1NCc1cccc(OCC#N)c1 1319894705 QFYLFKLWWCFWDQ-DLBZAZTESA-N 272.392 3.503 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NCc1cccc(C#N)c1 155898542 MHJWFCCDRTUMJA-BBRMVZONSA-N 256.393 3.863 30 20 CHED Cc1ccc(OC[C@@H](C)Nc2ccc(C#N)cc2)cc1 40500056 ZFFMRVVLVRBDPI-CQSZACIVSA-N 266.344 3.746 30 20 CHED CC(C)[C@H](C)S[C@H](C)C(=O)Nc1cccc(C#N)c1 172967639 XBPLBCAYDCUXKB-NWDGAFQWSA-N 276.405 3.663 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1 51628218 GFYXUSFGBAXRLG-QGZVFWFLSA-N 268.335 3.938 30 20 CHED N#Cc1cc(Br)ccc1N1CC[C@H](C2CC2)C1 400143570 ZUPASCSBILDPCQ-NSHDSACASA-N 291.192 3.557 30 20 CHED C=CC[C@H](C)NCc1cccc(C)c1Br 308880956 UISDFSYDTOPZOF-NSHDSACASA-N 268.198 3.812 30 20 CHED N#C[C@H]1CC[C@@H](NCc2csc(Cl)c2Cl)C1 309488209 HJMBSISNYWRCQE-IONNQARKSA-N 275.204 3.837 30 20 CHED N#Cc1cc(Cl)cc(OCc2cccc(Cl)n2)c1 310951521 ZFCCRNRIRMLFTC-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C#C[C@H](NCc1ccsc1C(F)(F)F)C(C)C 704335346 YDDYXMYUCRZFSU-JTQLQIEISA-N 261.312 3.514 30 20 CHED C[C@@H](C#N)OCCOc1ccccc1-c1ccccc1 383272105 OSRBNOLHDIKLQI-AWEZNQCLSA-N 267.328 3.661 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1cc(F)cc(C#N)c1 718619276 RWQRJRAFNMNGGS-NSHDSACASA-N 272.298 3.880 30 20 CHED CCOc1ccc(/C=N/Cc2ccc(F)c(C)c2)c(O)c1 28686267 WREGPIJBNBJIEU-YBFXNURJSA-N 287.334 3.858 30 20 CHED C[C@@H](OC(=O)c1sccc1C#N)c1cc(F)ccc1F 52222955 NRKFLZLUVUJBSW-MRVPVSSYSA-N 293.294 3.816 30 20 CHED CCCCCCCCCC(=O)N1CCCC[C@H]1CC(=O)O 103357310 DCWQTRRPOVTHNC-HNNXBMFYSA-N 297.439 3.983 30 20 CHED CCCCN(CC)C(=O)Nc1cccc(C#N)c1C 178562844 VUTXRMUHQUFWQM-UHFFFAOYSA-N 259.353 3.521 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C=CCCC1 176815108 CEUZVZJKVOUIDL-OAHLLOKOSA-N 288.366 3.632 30 20 CHED Cc1ccc(F)c(C=C2C(=O)c3ccccc3C2=O)c1 172214791 HVZCNGXLDJAQSI-UHFFFAOYSA-N 266.271 3.597 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CC2CCCCC2)C1 116808152 SYUSMEDHAZJCQH-CZUORRHYSA-N 262.397 3.545 30 20 CHED C=CC[C@H](C)NC(=O)N(CC)Cc1cccc(Cl)c1 116972693 SGYYNRFSUMROOC-LBPRGKRZSA-N 280.799 3.836 30 20 CHED O=C(/C=C/c1cc(Cl)cc(Cl)c1)c1cnccn1 115962787 RTSVPDORJNGKKN-OWOJBTEDSA-N 279.126 3.680 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCc1ccco1 60439004 JCYBRGKGIUETLO-UHFFFAOYSA-N 286.327 3.555 30 20 CHED Cc1nc(-c2cccc(NC(=O)C3(C#N)CCC3)c2)oc1C 119102002 WKLKXYADCRBVIC-UHFFFAOYSA-N 295.342 3.591 30 20 CHED Cc1cccc(C)c1OCCC(=O)Nc1ccc(C#N)cc1 20261424 FWVLMMNUYIYZGB-UHFFFAOYSA-N 294.354 3.583 30 20 CHED CC[C@H](C)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 174090520 DKEJCZPIUWNGDU-VIFPVBQESA-N 299.296 3.839 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)N1CCC(C#N)CC1 115700991 UDJBRJIBVUKVMN-AWEZNQCLSA-N 291.439 3.681 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2cc(C#N)cs2)CC1 177074272 BDIYPXPSFWSUPM-ZDUSSCGKSA-N 290.432 3.908 30 20 CHED C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)Cc1cccs1 174308458 DFGIPOAEPXNZSU-GFCCVEGCSA-N 299.399 3.620 30 20 CHED C=CCCCOc1ccc(-c2noc(C3CC3)n2)cc1 117553585 VNHIGWMOMYONES-UHFFFAOYSA-N 270.332 3.959 30 20 CHED C=CCCCC(=O)NC(C)(C)Cc1ccccc1C 177816962 CSGWZIFBQYNWGG-UHFFFAOYSA-N 259.393 3.789 30 20 CHED COc1ccc(C#N)cc1CNC(C)(C)c1ccc(F)cc1 119566105 IFUMTKQFVBMCSO-UHFFFAOYSA-N 298.361 3.731 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 111419223 SDMSWEPCDDBZJR-UHFFFAOYSA-N 264.756 3.770 30 20 CHED C#CCCCNC(=O)c1cc(C2CC2)nc2ccc(C)cc12 176921818 ONDNCFLVTGMJSY-UHFFFAOYSA-N 292.382 3.564 30 20 CHED N#Cc1ccc(F)c(CNC(=O)CCCC2CCCC2)c1 174425597 TUQHSTAGALUXNW-UHFFFAOYSA-N 288.366 3.674 30 20 CHED CCC1(CC)CCN(c2nc3ccccn3c2C#N)CC1 302523313 ZMGCESGWIQOIIL-UHFFFAOYSA-N 282.391 3.613 30 20 CHED N#Cc1ccncc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 354560432 MOMGVBCCKSOHII-JQWIXIFHSA-N 283.297 3.734 30 20 CHED C[C@H](CCc1cccn1C)Nc1c(Cl)cccc1C#N 301461517 OFNGMHAEWPMPBO-GFCCVEGCSA-N 287.794 3.983 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(c2ncccc2C#N)C2CC2)o1 301230290 AIIRWMQKYWFROW-BLLLJJGKSA-N 293.370 3.839 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CCC(OCC2CCCC2)CC1 185802911 IQVRYVZMZLRAMC-HNNXBMFYSA-N 293.451 3.787 30 20 CHED N#Cc1ccc(NCCc2ccco2)c(C(F)(F)F)c1 301351407 WAOUSBUTLXCFPN-UHFFFAOYSA-N 280.249 3.825 30 20 CHED CC[C@@H]1CC[C@H](C)N1c1c(F)cc(C#N)cc1F 124465329 YLYNALXCQBZONE-GXSJLCMTSA-N 250.292 3.604 30 20 CHED C=CCOc1ccc(CNCc2cc(F)cc(F)c2)cc1 73649814 GZTFSFUXFYIXGX-UHFFFAOYSA-N 289.325 3.819 30 20 CHED C=C(C)[C@@H](NC(=O)C=C1CCC1)c1ccc(F)c(F)c1 186053770 TXIMIEKTVTVNOF-MRXNPFEDSA-N 277.314 3.809 30 20 CHED Cc1cscc1C(=O)Nc1ccccc1O[C@@H](C)C#N 182054069 VDABQWXNNGUNDE-NSHDSACASA-N 286.356 3.600 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(Cl)c(F)c2)c1 152361249 OXPRRZQBILZBJN-UHFFFAOYSA-N 287.721 3.737 30 20 CHED N#Cc1ccc(F)c(COc2ccc3c(c2)CCCC3=O)c1 126301212 MDQLJGCOJBJPSN-UHFFFAOYSA-N 295.313 3.795 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)c1ccc(F)cc1 37217309 GPTMEPFIWYZMRK-ZDUSSCGKSA-N 284.334 3.579 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCCC[C@H]2CC)CC1 181746618 QWWSITGXPCDCKF-NVXWUHKLSA-N 264.457 3.585 30 20 CHED Cc1cnc(Oc2ccc(C#N)cc2Cl)c([N+](=O)[O-])c1 361273210 RPYQDNADCUEEDL-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(C#N)cc1 31437513 UMDDWNRFRTXAGS-GFCCVEGCSA-N 298.773 3.632 30 20 CHED CCCOc1cccc(NCc2ccccc2C#N)c1 75679243 BWAYSPCKDOJSFR-UHFFFAOYSA-N 266.344 3.959 30 20 CHED COc1ccc([C@H](C)CCN[C@@H]2CCC[C@H](C#N)C2)cc1 185833365 AFQASXFVDZHIMK-HLLBOEOZSA-N 286.419 3.861 30 20 CHED Cc1ccc(CCC(=O)N[C@@H](C#N)C2CCCCC2)c(C)c1 506524456 GNSMWKRJOHOVLT-SFHVURJKSA-N 298.430 3.825 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NC[C@@H]1CC12CC2 418993793 PSCFZZXTRLIRMB-JTQLQIEISA-N 285.297 3.597 30 20 CHED Cc1cccnc1CSCc1ccc(F)cc1C#N 180380836 VMWWQHYGQUWIQA-UHFFFAOYSA-N 272.348 3.834 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@]1(C#N)CCc2ccccc2C1 410721731 YGCNMHVSKDAGQO-DNVCBOLYSA-N 298.430 3.626 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC=CCC1 413289530 HFAMLSSLKSNHMF-IRXDYDNUSA-N 284.403 3.582 30 20 CHED C[C@@H]1C[C@@H]1[C@H](NCCCC#N)c1ccc(Cl)cc1 180018671 LUZCTYWFSTXKEO-BYCMXARLSA-N 262.784 3.930 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H](C)c1ccccc1 127091873 WZMWLJSOVCXPMX-CQSZACIVSA-N 279.339 3.714 30 20 CHED C=C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1Cl 489448027 LLUHPAXMGFNMFU-CYBMUJFWSA-N 292.810 3.709 30 20 CHED CCCC(CCC)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 410626149 PAYNZYWDQPRRPH-BBRMVZONSA-N 264.413 3.791 30 20 CHED CC(C)C1CCC(N2CCN([C@H](C)CCC#N)CC2)CC1 411337707 UMXAKAGLUOUVRZ-WWDZGPRUSA-N 291.483 3.511 30 20 CHED C=CCC[C@H](CCC)NCc1nccc(C(F)(F)F)n1 414237736 JNXKUEPMDJEQNC-NSHDSACASA-N 287.329 3.720 30 20 CHED CCN(CC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 123294681 UGDSGCBUPUWRIR-JTQLQIEISA-N 256.271 3.612 30 20 CHED CN(C(=O)c1cc(C#N)cs1)[C@H]1CCC[C@@H]1C(C)(C)C 416297423 XHOVCUJYIDHNEX-STQMWFEESA-N 290.432 3.907 30 20 CHED CC(C)=CCCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416708144 BFVVVYINPHAQKH-KRWDZBQOSA-N 297.402 3.591 30 20 CHED CN(Cc1cc(F)c(F)c(F)c1)CC(C)(C)CCC#N 181012467 JODPTGSXQXEFIE-UHFFFAOYSA-N 284.325 3.866 30 20 CHED CC(C)(CC#N)CNC(=O)CC12CC3CC(CC(C3)C1)C2 315318368 BERANZCIAGAHBL-UHFFFAOYSA-N 288.435 3.649 30 20 CHED C[C@H]1CCCCN1CCC1CCN([C@@H](C)CCC#N)CC1 411350613 SGQUCFVWBHJBBS-IRXDYDNUSA-N 291.483 3.655 30 20 CHED N#Cc1ccc(COC(=O)CCc2ccccc2Cl)cc1 72099697 VAIDPIUXDHSNRK-UHFFFAOYSA-N 299.757 3.888 30 20 CHED C[C@@H](CC(F)F)C(=O)N[C@H](CCCC#N)c1ccccc1 412368122 USCVGAFAHJEVES-GXTWGEPZSA-N 294.345 3.829 30 20 CHED N#CCCSCc1csc(-c2ccoc2)n1 413013654 OQFSCQGRWMUJTA-UHFFFAOYSA-N 250.348 3.550 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1 133896593 JHPJKVXSUOWWMT-IKGGRYGDSA-N 269.388 3.856 30 20 CHED Cc1ccc(C)c(N(C)Cc2ccccc2C#N)c1 49333059 KFDNGAGUHNDKRK-UHFFFAOYSA-N 250.345 3.812 30 20 CHED CCC[C@@H](Cc1ccccc1)NCC1(C#N)CCC1 418140450 JLWITRHVKVBBNT-INIZCTEOSA-N 256.393 3.681 30 20 CHED CN(C[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1C#N 48950204 LESLKVKGAJOWEV-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED C[C@@H](CC(=O)N(CCC#N)CC(F)(F)F)CC(C)(C)C 610503904 YTFGEGWSJRFTOS-NSHDSACASA-N 292.345 3.753 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCCc1cc(C)sc1C 84583370 YIMLNDPCUUNIDW-GFCCVEGCSA-N 292.448 3.696 30 20 CHED CCCC[C@H](CCC)NC(=O)C(C#N)(CC)CC 226028909 XLRPNYZZLKUCPD-ZDUSSCGKSA-N 252.402 3.791 30 20 CHED Cn1cc(CNc2ccccc2OC(C)(C)C)cc1C#N 191435130 WFLMXWGFOVIJES-UHFFFAOYSA-N 283.375 3.686 30 20 CHED CCCCCCCCC(=O)Nc1[nH]nc(C)c1C 134563744 LYLMYMIUDCQWDC-UHFFFAOYSA-N 251.374 3.716 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1cccc2ccccc12 502938018 GKVOWULVOGOLNW-UHFFFAOYSA-N 296.414 3.990 30 20 CHED CCN(CCC#N)[C@H](C)c1ccc(F)c(Cl)c1 81040325 XMOHDHVHBULBOU-SNVBAGLBSA-N 254.736 3.776 30 20 CHED O/C(CC/C(O)=N/C1CCCC1)=N\C[C@@H]1CCCS1 328853074 JBSXEFTWVVLXGH-LBPRGKRZSA-N 284.425 3.518 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccccc1Cl 191132711 SBFYPLQTNDHJTH-HNNXBMFYSA-N 265.784 3.601 30 20 CHED CC[C@@]1(C)CCCN(C(=O)CCc2ccc(C#N)cc2)C1 81321281 SJTUXDKMAXDMFB-SFHVURJKSA-N 284.403 3.530 30 20 CHED C[C@H]1CCC[C@@H](CC(O)=Nc2ccc3nncn3c2)C1 329097003 CATWCWNYUVVNPJ-NWDGAFQWSA-N 272.352 3.534 30 20 CHED N#CCCCOC(=O)c1ccccc1COc1ccccc1 194450149 AEOJFULJAXXDMY-UHFFFAOYSA-N 295.338 3.726 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(C2SCCS2)cc1 84710639 ZCAKTPGSPCQDBN-LBPRGKRZSA-N 293.413 3.624 30 20 CHED N=C(O)C1CCC(/N=C(/O)[C@H]2CC23CCCC3)CC1 329991916 KCCDYHFFSGIAOB-HTAVTVPLSA-N 264.369 3.617 30 20 CHED CCCOc1cccc(/C=C/c2ccc(C#N)cn2)c1 193448103 FXCWIHYZQDGOTC-SOFGYWHQSA-N 264.328 3.912 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2ccc(O)cc2)c1 49371769 ORIKKOLYKITEEK-FPYGCLRLSA-N 252.313 3.905 30 20 CHED C#CCCCC(=O)Nc1ccc(OC(C)C)c(C)c1 192137724 PDJPFYKKISGEGR-UHFFFAOYSA-N 259.349 3.524 30 20 CHED CC(C)c1cccc(N/C(O)=N/C[C@]2(C)CCOC2)c1 330752656 CNMOPWJJQCTVBQ-INIZCTEOSA-N 276.380 3.563 30 20 CHED Cc1c(Cl)c(CN(C)C[C@@H](C)C#N)nc2ccccc12 143078065 YOQMKFGUWJJKGO-NSHDSACASA-N 287.794 3.788 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc2ncccc12 337737266 BBJXREUOZPXLRK-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)c1cccnc1NCc1ccc(C#N)c(F)c1 421813434 OBHLQHCRFLQCPX-UHFFFAOYSA-N 269.323 3.828 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@@H]2C)c1 88723781 GLRHBOKVHAFGHH-YSVLISHTSA-N 272.392 3.646 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)c1ccncc1F)c1ccccc1 338187141 WPURRVCDNUIRGC-UONOGXRCSA-N 298.361 3.758 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(C2CCC2)cc1 190824554 UAXPJUQNWIASPM-QGZVFWFLSA-N 270.376 3.622 30 20 CHED Cc1c(C#N)cccc1C(=O)N(CC1CCC1)C(C)C 338034775 FAZOSZPSDMSWJT-UHFFFAOYSA-N 270.376 3.517 30 20 CHED CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 335003920 DROZMNNZYSQZGB-IRXDYDNUSA-N 296.414 3.528 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1F 192704520 CMKUCNHUYDEGDC-UHFFFAOYSA-N 268.719 3.685 30 20 CHED CC(C)Oc1ccc(C/N=C(/O)N[C@@H]2CC[C@@H](C)C2)cc1 331230775 QCHROUCQQFFMGC-UKRRQHHQSA-N 290.407 3.666 30 20 CHED CC(=O)Nc1cc(NC2CCC(C)(C#N)CC2)ccc1F 336227500 SBVPUINLVUFXMB-UHFFFAOYSA-N 289.354 3.668 30 20 CHED CC(C)(C#N)CCCSCc1ncnn1C(C)(C)C 337897564 MWTUMNCEEIZEKT-UHFFFAOYSA-N 280.441 3.596 30 20 CHED C#CCCCCN[C@@H](c1ccc(OC)cc1)C(C)C 91377848 MYSDOUDUVVSWGF-QGZVFWFLSA-N 259.393 3.785 30 20 CHED CC(C)[C@H](C)NCc1cccc(OCCCC#N)c1 236639861 SHAZLGSHKMLCQX-AWEZNQCLSA-N 260.381 3.503 30 20 CHED C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccccc1C#N 339151242 BKGMCENGFVVCFJ-FKIZINRSSA-N 287.359 3.707 30 20 CHED CN(Cc1cccc(C#N)c1)C(C)(C)CN1CCCCCC1 426727388 OLAWFNWADSLHBU-UHFFFAOYSA-N 299.462 3.645 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1cccc(OCC)c1 424616824 NFKURVKJAGNXCQ-ZDUSSCGKSA-N 275.392 3.865 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/[C@@H]2C=CCCC2)c1C 330102400 GCVVLMZAYIZGIA-WCQYABFASA-N 276.384 3.597 30 20 CHED C[C@@H]1CCN(C(=O)CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 335709327 TYVWDOLSRHUUFI-YGRLFVJLSA-N 296.292 3.529 30 20 CHED N#CC1(CCCN2CCC[C@H]3CCCC[C@H]32)CCOCC1 337123058 BPTAQVQURJSZLU-IAGOWNOFSA-N 290.451 3.742 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC=CCC1 515869076 SXDRICIAYDBLOD-AWEZNQCLSA-N 273.351 3.697 30 20 CHED CCCOc1cccc(CNCc2ccc(C#N)cc2F)c1 236879530 XSNYTJVVYHQWHG-UHFFFAOYSA-N 298.361 3.776 30 20 CHED CNc1ccccc1/C(O)=N/CC1(OC)CCC(C)CC1 331354033 PIVHSSYETXHCNJ-UHFFFAOYSA-N 290.407 3.628 30 20 CHED CC(C)C1CCC(N(C)C(=O)c2sccc2C#N)CC1 432546360 NITUGNRMIOQNMN-UHFFFAOYSA-N 290.432 3.907 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1cccs1 234272808 SIIUMCVPLAMNBV-UHFFFAOYSA-N 250.411 3.900 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(C#N)c1 437654470 WQPLXWHYGBABTH-BBRMVZONSA-N 285.391 3.991 30 20 CHED C=CC1CCN(C(=O)CCSc2ccc(C)cc2)CC1 520328968 SIOPSLTZCBELPV-UHFFFAOYSA-N 289.444 3.902 30 20 CHED C=C(C)COCCN[C@H](c1ccc(OC)cc1)C(C)C 91397661 RPWUZOUVIJTTHE-KRWDZBQOSA-N 277.408 3.575 30 20 CHED N#CCCCN(Cc1cccc(F)c1)C1CCCC1 346774636 FUTIEUNBNMQDEI-UHFFFAOYSA-N 260.356 3.874 30 20 CHED C=C[C@@H]1CCCCN1c1ccnc2c([N+](=O)[O-])cccc12 432150060 ATEHOCGLNQNZEB-GFCCVEGCSA-N 283.331 3.688 30 20 CHED Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C)ccc1C#N 434736963 MRXAXJXVZDFFQR-AWEZNQCLSA-N 294.354 3.581 30 20 CHED N#CCc1ccccc1NC(=O)c1coc2cc(F)ccc12 344395864 SAUZYXARFSRDDJ-UHFFFAOYSA-N 294.285 3.890 30 20 CHED Cc1cccc(C)c1OC[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 248874651 IZCVGTZEUUHLDE-BBWFWOEESA-N 286.419 3.743 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@H](CC)CC1 522677547 WBKBZXLKXKKUTO-HNNXBMFYSA-N 287.403 3.904 30 20 CHED CCc1ccc(C(=O)COc2ccc(C#N)c(C)c2)cc1 434643915 DGBYNYBLKGUWEQ-UHFFFAOYSA-N 279.339 3.691 30 20 CHED C=CCCc1ccccc1NC(=O)NCC1CC=CC1 529091898 RWOKVLQWZHDTSB-UHFFFAOYSA-N 270.376 3.893 30 20 CHED CC[C@@H](Nc1ccccc1)C(=O)Nc1cccc(C#N)c1C 434650874 SLHHKYBQECQYSX-MRXNPFEDSA-N 293.370 3.696 30 20 CHED CC(C)(C)CCCCNC(=O)C1(c2cccc(C#N)c2)CC1 435022904 DSBZULPFGIKCMD-UHFFFAOYSA-N 298.430 3.922 30 20 CHED CC(C)Oc1ccc(NC(=O)C[C@H](C)C(C)C)cc1C#N 435352159 AOSITEOJMXVUDW-ZDUSSCGKSA-N 288.391 3.966 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@@H]1c1ccccc1 437576988 KJWSRKJCQJTIKA-QGZVFWFLSA-N 278.355 3.514 30 20 CHED N#CC1(NC(=O)c2cccc3cc(O)ccc23)CCCCC1 601025463 JQGIOBCFRKBTGE-UHFFFAOYSA-N 294.354 3.502 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNc1cnccc1C#N 341525960 FPOOOGSQUJMLSB-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC1CCC(CC(=O)N(CCC#N)CC(C)(C)C)CC1 344495849 TZCOBEFNYKUJPV-UHFFFAOYSA-N 278.440 3.991 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(N(C)C)cc1)C2 255337264 MAZWUYWGXKVDBM-XNTDXEJSSA-N 293.366 3.584 30 20 CHED N#Cc1cc(F)c(NCC2Cc3ccccc3C2)c(F)c1 609765557 AXZZPQPKVVLPGV-UHFFFAOYSA-N 284.309 3.663 30 20 CHED C=CC(C)(C)CN[C@H](C)CCc1ccccc1[N+](=O)[O-] 449484991 JYNZHEWAVQWBOQ-CYBMUJFWSA-N 276.380 3.718 30 20 CHED CCO[C@@H](CCNC[C@H](C)CCC#N)C1CCCC1 602562398 BASUDYOXOWZDET-ZBFHGGJFSA-N 266.429 3.501 30 20 CHED C[C@@H]1CCN(CCOc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 603846823 CQJMJQUMRFFDOV-ATZDWAIDSA-N 298.430 3.838 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)Oc1ccccc1 606816755 LIMPSWRJEAWBKD-OAHLLOKOSA-N 275.392 3.659 30 20 CHED CC(C)CC(C)(C)CN[C@H](C)CC1(C#N)CCOCC1 602571121 DVLSYIUEUFYRQB-OAHLLOKOSA-N 280.456 3.747 30 20 CHED CC[C@@H](F)CSc1nc2c(c(C)c1C#N)CCC2 440572093 PQLVUEJLFLIPSM-SNVBAGLBSA-N 264.369 3.591 30 20 CHED CC(C)CC(C)(C)C(=O)NCC(C)(C)CCC#N 359755760 GTEHRINDMUVGHK-UHFFFAOYSA-N 252.402 3.505 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc2ccc(F)cc2c1 352526595 PLLXHNTUNLBLDF-UHFFFAOYSA-N 286.350 3.706 30 20 CHED C=CCC[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 358324633 DBBHDZMYTCPXDC-AYOQOUSVSA-N 284.447 3.766 30 20 CHED CC(C)(CCC#N)CN[C@H]1C[C@H]1Cc1ccccc1 266175994 SXTOVGLOVAMEEN-CVEARBPZSA-N 256.393 3.537 30 20 CHED C=CCOc1cccc(CN(CC2CC2)C(C)C)c1 535785990 QECPIXZBBLVOIQ-UHFFFAOYSA-N 259.393 3.872 30 20 CHED C=C[C@H](C)NC(=O)C1(c2ccc(OC)cc2)CC2(CCC2)C1 353774944 KMZATHUBZYVFBO-AWEZNQCLSA-N 299.414 3.588 30 20 CHED C=C1CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 266399214 YBOITDPELADYIW-CQSZACIVSA-N 275.367 3.573 30 20 CHED N#Cc1ccc(CNCCc2ccc(F)cc2Cl)cc1 609599096 MICGHNFPHFHUCA-UHFFFAOYSA-N 288.753 3.683 30 20 CHED Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H](C)C#N)c1 440612723 NSSGVGGHPZYIII-ZDUSSCGKSA-N 280.327 3.886 30 20 CHED Cc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)ccc1C#N 356283500 OKTIJRQKZNOHRA-KRWDZBQOSA-N 266.388 3.631 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1(C)Cc2ccccc2C1 537273359 WHKCPFONFWHIDS-AWEZNQCLSA-N 286.419 3.588 30 20 CHED CCSc1ccc([C@H](C)NC(=O)[C@@]2(C#N)C[C@H]2C)cc1 448911559 MVAQKMYDADFORS-BFQNTYOBSA-N 288.416 3.526 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1scnc1C)CC2 266237139 VSYIRTXBCQABHC-GHXNOFRVSA-N 285.368 3.673 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC 263984447 LQLKPDXUYJLGKK-INIZCTEOSA-N 297.402 3.686 30 20 CHED C[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)C1CCCC1 619762567 MDCVADLBLDURSU-NSHDSACASA-N 290.794 3.654 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CC3CCC2CC3)C1 617778325 DGRJQJLQWBLZJN-BHDPWAOGSA-N 261.409 3.627 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(-c2ccc[nH]2)cc1)OCC 537119538 SBAKTCUFDSNOBK-QGZVFWFLSA-N 298.386 3.992 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnc2c(F)cccc2c1 351623975 LHRPHKQDPQXNQV-CQSZACIVSA-N 284.334 3.555 30 20 CHED CC(C)c1cnc(CN[C@H](C)c2cccc(C#N)c2)s1 612185445 DFGBGRPNMQEMJA-GFCCVEGCSA-N 285.416 3.989 30 20 CHED C[C@H]1C[C@@H](CNc2ccc(C(F)(F)F)cc2C#N)CCO1 356789869 GMARUBZILOBIBH-QWRGUYRKSA-N 298.308 3.804 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2nccnc2C#N)c2ccccc21 447803655 UFRBGBZNQCNLBO-HUUCEWRRSA-N 278.359 3.645 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@@H]1CCCCC1(C)C 611030156 ZZYSFHROEMKFJZ-KBPBESRZSA-N 264.413 3.647 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(CC#N)cc1 535347540 QCZFFRYLMSHTLM-DOTOQJQBSA-N 284.403 3.841 30 20 CHED CCOC1CC(CCNc2cccc(Cl)c2C#N)C1 450473590 HNTNZWZROFFPQZ-UHFFFAOYSA-N 278.783 3.829 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2ccc(C)nc2)cn1 452154075 UWBJAHUHPHMXTR-UHFFFAOYSA-N 293.370 3.584 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 617789429 IUSUHXGRTHMHKK-AWEZNQCLSA-N 282.387 3.525 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccsc1Cl 455223686 HRJFCLFNMZOASR-UHFFFAOYSA-N 258.774 3.735 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2cc(C#N)ccc21 619554201 WGSPGONFOSYCDV-UHOSZYNNSA-N 296.414 3.506 30 20 CHED CCCn1ncc(NCc2ccc(C#N)c(F)c2)c1C1CC1 453156662 XOCRWYJTJDGHCA-UHFFFAOYSA-N 298.365 3.793 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)OC1CCCCCC1 539441191 UNLCTXPTDVYQAB-GJZGRUSLSA-N 281.440 3.975 30 20 CHED C[C@@H]1CC(C(=O)N(C)c2ccc(C#N)cc2F)C[C@@H](C)C1 611539263 SEJPYVUXOWYWQY-RYUDHWBXSA-N 288.366 3.732 30 20 CHED COc1cc(N[C@H]2CCC[C@H](C#N)C2)cc(OC)c1Cl 459760062 QAEFJCZKIDXCIQ-QWRGUYRKSA-N 294.782 3.851 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CCC(C)(C)C#N)C12CCCCC2 535664125 XNHWABSUJUXHRM-HZPDHXFCSA-N 292.467 3.986 30 20 CHED CCC(CC)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 363492839 IRDZFXLVSTXXBM-IAGOWNOFSA-N 299.418 3.656 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 455963097 BAKTZTJLLQDRFC-CYBMUJFWSA-N 271.364 3.521 30 20 CHED N#CCCCC(=O)Nc1nc2cc(Cl)ccc2s1 361446715 DBFVSQZWQGKKKI-UHFFFAOYSA-N 279.752 3.582 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SCC1(C#N)CCC1 450915165 YVXIEQSWWATFKJ-UHFFFAOYSA-N 297.305 3.758 30 20 CHED C[C@H](C[C@H](O)c1ccccc1)N[C@H](C)c1ccc(C#N)cc1 271833360 FIBHFKWOTCRLEO-CLCXKQKWSA-N 294.398 3.721 30 20 CHED C=C(C)CCNC(=O)NCc1ccc2sccc2c1 455008156 ZALPEKCSSQOCQQ-UHFFFAOYSA-N 274.389 3.667 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1ccc(C#N)c(F)c1 362283059 BMBFBCPZHUMUMI-JTQLQIEISA-N 280.368 3.558 30 20 CHED C=CCSc1ccccc1C(=O)NCc1cccs1 362388809 JGASPFOLGZFNJY-UHFFFAOYSA-N 289.425 3.956 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCC[C@H]1CCC(C)C 450130188 LCKIBPCDDMCHMP-HNNXBMFYSA-N 287.407 3.626 30 20 CHED C=CCSCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 543746396 YKSRNRKGJXGVHR-RRFJBIMHSA-N 281.465 3.628 30 20 CHED C=CCCC1(C(=O)Nc2cc(C)cc(C#N)c2)CC1 456964155 KWGJJOQAOLVPJS-UHFFFAOYSA-N 254.333 3.552 30 20 CHED C=C(C)CN1CCC(N[C@@H](C2CCCC2)C2CC2)CC1 453102528 PTIFJJWWOXKSTI-SFHVURJKSA-N 276.468 3.585 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1cnc(C#N)c(Cl)c1 455754724 FVLMLCKJNYYEQR-UHFFFAOYSA-N 294.786 3.507 30 20 CHED C=CCC1(CNC(=O)c2cc(C(C)=O)cs2)CCCC1 456486606 NQUNBGNZFLCMJW-UHFFFAOYSA-N 291.416 3.817 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC(CF)CC3)c2c1 450691002 WSHYFZGPWVXEHO-UHFFFAOYSA-N 297.377 3.909 30 20 CHED CC(C)C[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)CCO1 272082285 WLAQZBRPQYCHPH-ZTFGCOKTSA-N 286.419 3.803 30 20 CHED C=CCCC[C@H](C)NCc1cc(C)c(Br)cn1 623484919 HCLRCUBBDBHSJC-LBPRGKRZSA-N 297.240 3.987 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 278545750 NPAOTDGBNIDDLY-FZKQIMNGSA-N 297.402 3.716 30 20 CHED C=CCC1(CNC(=O)c2csc(C(C)=O)c2)CCCC1 456514782 XIRCHKCGTCGMEG-UHFFFAOYSA-N 291.416 3.817 30 20 CHED N#CCC1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 543184357 MOWSHNYCIIWKJK-MRXNPFEDSA-N 274.795 3.953 30 20 CHED C=CC[C@H](C(=O)OCc1csc(C)n1)c1ccccc1 274963609 APNLADOZSPQGCE-HNNXBMFYSA-N 287.384 3.855 30 20 CHED C=CCCC[C@H](C)N[C@@H](C(=O)OC)c1ccccc1C 467002726 BWUHVXOVLSZJJF-GOEBONIOSA-N 275.392 3.544 30 20 CHED C=CCOc1cccnc1C(=O)Nc1ccc(C)cc1C 540394333 NIILWAVSRBCYFO-UHFFFAOYSA-N 282.343 3.516 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)c1ccccc1 468008394 AAPRCHSYMCZCTR-RHSMWYFYSA-N 259.393 3.851 30 20 CHED C=C(C)Cn1nc(C(=O)OC)cc1-c1ccccc1Cl 546538260 JBIXZEVRGWLAAX-UHFFFAOYSA-N 290.750 3.566 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C)c(-c2ncco2)c1 372780673 KWZYBCOCISZKOR-UHFFFAOYSA-N 291.738 3.524 30 20 CHED C=CCC1(NCc2ncc(C3CC3)o2)CCCCC1 625935084 LXDVWXHOIIJFTK-UHFFFAOYSA-N 260.381 3.921 30 20 CHED COc1cc(F)c(F)cc1N[C@H](C#N)C1CCCCC1 555122436 UAYFLOBGEMLYCM-CQSZACIVSA-N 280.318 3.858 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)[C@H](C)c1cccc(C#N)c1 462015312 KZJQZRZEXBTLMO-RHSMWYFYSA-N 284.403 3.699 30 20 CHED Cc1nsc(N2CC[C@H](Cc3ccccc3)[C@@H]2C)c1C#N 557630165 GGKLWERRGIQAMJ-DZGCQCFKSA-N 297.427 3.781 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 467987472 BQTXBUDQBKHYFJ-KRWDZBQOSA-N 273.376 3.941 30 20 CHED CC#CCCCC(=O)Nc1n[nH]c(C)c1-c1ccc(F)cc1 630028602 DJBQFOJKGZRAKH-UHFFFAOYSA-N 299.349 3.656 30 20 CHED C=CC(C)(C)C(=O)N[C@H](CC)c1ccccc1OCC 460078419 HLJWFTYRFJMSKA-CQSZACIVSA-N 275.392 3.865 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1C 460945526 AVHVRLNTUORIFG-KBPBESRZSA-N 290.455 3.678 30 20 CHED C=C[C@@H](C)NC(=O)N(CCC)[C@@H]1CCc2ccccc21 464761400 NWCMZGDKDCXDPS-CZUORRHYSA-N 272.392 3.670 30 20 CHED CCC[C@]1(NCc2ccccc2C(C)(C)C#N)CCOC1 285580600 OHSLNUHCPGTMTD-SFHVURJKSA-N 286.419 3.537 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCc2sc(Cl)cc21 462060869 PHRRLJSKVAQKNH-NSHDSACASA-N 298.839 3.996 30 20 CHED C=CCCN(C)Cc1ccc(Cl)c2cccnc12 467294040 RZGULVPYAYCDTD-UHFFFAOYSA-N 260.768 3.896 30 20 CHED C=CC[C@@H](C)NC(=O)NCCC1=CCCCCC1 464125034 ALCVBGLBHUOREL-CYBMUJFWSA-N 250.386 3.531 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 281175055 DNWGHPMOYJLJSB-KOMQPUFPSA-N 290.382 3.679 30 20 CHED COc1ccc(C#N)cc1NC(=O)CCCC1CCCC1 463634482 LJQONEKUMVCAGZ-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(OC)c(OC)c1 553596254 QHSCYCXRKGBEPB-AWEZNQCLSA-N 277.408 3.928 30 20 CHED CCCNc1ccc(C#N)cc1NCc1c(CC)noc1C 285022136 DAXZKMGPHNJJGW-UHFFFAOYSA-N 298.390 3.851 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)[C@@H](C)CCC 460937155 NROQFRCYSUYDDI-ZDUSSCGKSA-N 276.428 3.747 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCCC[C@H]1SCC 472780809 ASVMTELKYLHGET-ZIAGYGMSSA-N 284.469 3.706 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)c(F)c1 280519750 AZUFONBBOVWKIC-QAQDUYKDSA-N 280.346 3.733 30 20 CHED CC(C)(CCC#N)CNC(=O)C(C)(C)Cc1ccccc1 557923032 UTCDOCGTYPVFIS-UHFFFAOYSA-N 286.419 3.701 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H]1CCCCc2ccccc21 477007801 VOUULQNJPIZGGW-XJKSGUPXSA-N 289.444 3.878 30 20 CHED Cc1ccc(NCCCOc2cccc(C#N)c2)cc1 477606908 KGNDJFFEYQYXJV-UHFFFAOYSA-N 266.344 3.748 30 20 CHED COc1cc(Cl)c(N[C@H]2CC[C@H](C#N)C2)cc1C 808722749 FVDHGDWQOPMTSM-QWRGUYRKSA-N 264.756 3.761 30 20 CHED COc1cccc2c1CCCN2Cc1ccccc1C#N 552315060 AYVWGACVUOOISA-UHFFFAOYSA-N 278.355 3.520 30 20 CHED C=CCN(CC[C@H](O)c1ccccc1)Cc1ccccc1F 808711986 XZWQOELFVWMRKH-IBGZPJMESA-N 299.389 3.937 30 20 CHED C#CCCCc1nc(-c2ccc(SCC)cc2)no1 809486007 MVSUGVJZEZIXCX-UHFFFAOYSA-N 272.373 3.805 30 20 CHED C[C@@]12CCN(c3ccc(F)cc3C#N)C[C@@H]1C2(Cl)Cl 804704157 DSOZNFZXGDYUET-QWHCGFSZSA-N 299.176 3.717 30 20 CHED C=CCC[C@@H](O)CN(C)[C@@H](c1ccccc1)C(C)C 472733324 HQHKNQPSWMBZKI-IAGOWNOFSA-N 261.409 3.643 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 294825677 WQYDITSOADZMJV-CQSZACIVSA-N 299.374 3.565 30 20 CHED C#Cc1ccc(CNCc2cc(-c3ccccc3)on2)cc1 809612506 PAGOPAFTYSCZLY-UHFFFAOYSA-N 288.350 3.613 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](COc3ccccc3)C2)CC1 476630664 LJXBCIPVSRUAIP-MRXNPFEDSA-N 299.414 3.660 30 20 CHED C[C@H](/N=C/c1ccccc1O)[C@@H]1OCCc2sccc21 292192144 ZBQZGRQRHGYYPY-SZODZYOBSA-N 287.384 3.575 30 20 CHED C=CCCCCNC(=O)NCCc1ccc(Cl)s1 472850525 OONVGQUWLVZAEB-UHFFFAOYSA-N 286.828 3.600 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(COC(C)C)c1 806232126 XGRDDMXSBYRXPI-HNNXBMFYSA-N 288.391 3.535 30 20 CHED N#Cc1ncccc1NCCCc1cccc(Cl)c1 568812386 XKWPBWNETZFMQI-UHFFFAOYSA-N 271.751 3.651 30 20 CHED CCCN(CC#N)Cc1cc(Cl)cc2cccnc12 299384035 NZOGUGOZLKLAIZ-UHFFFAOYSA-N 273.767 3.624 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)c1ccc(NC(N)=O)cc1 561016766 PQBHNNFGLHIBMA-UONOGXRCSA-N 289.423 3.963 30 20 CHED COc1cc(C#N)ccc1OC(=O)O[C@H](C)CC(C)C 294495275 SJXXDGGGEGEHPQ-LLVKDONJSA-N 277.320 3.517 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)CCc1ccc2ccccc2c1 291605529 GSZJTOCMBPYMBA-LJQANCHMSA-N 292.382 3.581 30 20 CHED C#C[C@@H](N[C@H](C)CCc1ccc(F)cc1F)C(C)C 809685277 LDAOPEFFFRIJIE-MLGOLLRUSA-N 265.347 3.533 30 20 CHED CCCCCCCCCC(=O)N(C)[C@H]1CCCOC1 804286793 MOCOAIYDYATJFO-HNNXBMFYSA-N 269.429 3.765 30 20 CHED C=CCCCCNC(=O)CCOc1c(C)cccc1C 471678881 WIMYMLRCVFRZLA-UHFFFAOYSA-N 275.392 3.545 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)C[C@@H](C)CCC=C(C)C 567272729 SDLKLXPRZSTIHW-HOCLYGCPSA-N 296.480 3.911 30 20 CHED C/C(=C\C(=O)N[C@]1(C#N)CC1(C)C)c1cccc(Cl)c1 813301087 XMRQKTWLYQRJPH-BPLPYTOXSA-N 288.778 3.552 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1ncc(Cl)s1 814918061 ZOOPFPLCKQQZDS-VIFPVBQESA-N 271.817 3.689 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccnc2ccccc12 488889089 ZMRHIKUSOAYCLT-INIZCTEOSA-N 294.398 3.735 30 20 CHED C=CCCSc1nnc(-c2ccc(OCC=C)cc2)o1 489762242 LSOMTMXUUZPBDK-UHFFFAOYSA-N 288.372 3.970 30 20 CHED Cc1cccc(C)c1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N 560027538 ZZHBZDIPTGDVKH-OALUTQOASA-N 298.430 3.731 30 20 CHED CSc1ccc(C(C)=NNC[C@@H]2CCSC2)cc1F 811658266 DWGXGVSFXGAFBG-NSHDSACASA-N 298.452 3.614 30 20 CHED C#CCC1(OC(=O)Cc2coc3cc(C)ccc23)CCC1 810748098 ZPPAEKWHNZRNAC-UHFFFAOYSA-N 282.339 3.773 30 20 CHED COCCC(C)=NN[C@@H](C)c1ccc(C(C)C)cc1 814811785 UJINPLTYIBZINT-AWEZNQCLSA-N 262.397 3.873 30 20 CHED O=C(/C=C/c1ccsc1)c1ccc(Br)nc1 811696433 MVLXLHSMSHDCME-HNQUOIGGSA-N 294.173 3.802 30 20 CHED CCCC(=NOCCSC)c1ccc(OC)cc1 814922122 VGYDZDUDXSFYFH-UHFFFAOYSA-N 267.394 3.579 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 571936231 UAMRDFIDQJIXSW-ZIAGYGMSSA-N 288.366 3.899 30 20 CHED CCCCC[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](C#N)C1 819633820 QZCVBNINNGYLEP-LZWOXQAQSA-N 264.413 3.791 30 20 CHED C=CCC1(CNC(=O)N[C@@H]2CCC(F)(F)C2)CCCC1 652454437 SZXLESDMFOBFJB-GFCCVEGCSA-N 286.366 3.610 30 20 CHED Cc1ccc(C)c(NN=Cc2cnc(C(C)(C)C)nc2)c1 814753462 OGPPFFZCUWNKCL-UHFFFAOYSA-N 282.391 3.837 30 20 CHED CC(C)[C@H]1CN(C(=O)NCC2(CC#N)CC2)c2ccccc21 577814862 SJWYTFGZFPCDIF-OAHLLOKOSA-N 297.402 3.650 30 20 CHED Cc1cccc(OCCN(C)Cc2ccc(F)cc2C#N)c1 489609218 ZJUOHUKGVJGVAT-UHFFFAOYSA-N 298.361 3.517 30 20 CHED CC(=NOCCOC(C)C)c1cccc(Cl)c1 812237579 HBZWXTVTMLWCPQ-UHFFFAOYSA-N 255.745 3.506 30 20 CHED C=C[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2F)s1 658334921 FQDGRAGIWQDGJV-VXGBXAGGSA-N 291.391 3.752 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)Oc1ccccc1F 488875427 GGVJDPBHSFTWSZ-DZGCQCFKSA-N 291.366 3.550 30 20 CHED CCC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1F 814909539 ZINKNDLSGJTWES-LBPRGKRZSA-N 296.361 3.626 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc(OCC)cc1 488870595 SWDLXWFXVMSINW-MRXNPFEDSA-N 287.403 3.585 30 20 CHED CC(=NN[C@H](C)COc1ccccc1)c1sccc1C 811664130 AEUCGYHMWADOJK-CYBMUJFWSA-N 288.416 3.838 30 20 CHED CCC(=NNc1cc(F)c(F)cc1F)c1cccc(N)c1 814851319 JJRQNUYLCAAYHT-UHFFFAOYSA-N 293.292 3.912 30 20 CHED CC(=NOCCOC(C)C)C1CCC(F)(F)CC1 812239602 YRAFYZWJTGBUEC-UHFFFAOYSA-N 263.328 3.629 30 20 CHED C=CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccncc1 810219786 WKCBITCBEYDLRO-MOPGFXCFSA-N 289.382 3.848 30 20 CHED C#CCOc1ccccc1CNc1nc2cccc(C)c2o1 811839862 UAKXAOJVKASASK-UHFFFAOYSA-N 292.338 3.760 30 20 CHED N#CCc1cccc(NC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1 578121375 WIQSCNIRIWWQEC-NVXWUHKLSA-N 297.402 3.700 30 20 CHED C[C@H]1CC(C)(C)CN1c1ccc2cc(C#N)ccc2n1 578725646 ZZWWAEXSAJVKMW-LBPRGKRZSA-N 265.360 3.731 30 20 CHED COc1ccc(CNN=C2CC(C)(c3ccccc3)C2)cc1 729637458 LUNBGSBPGRZOSD-UHFFFAOYSA-N 294.398 3.893 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC[C@@H]2C)cc1C 729141155 WTDSMDMTSAOZHJ-NSHDSACASA-N 275.421 3.766 30 20 CHED C=CCCC1(C(=O)Nc2cccc3ccncc23)CC1 577562361 CKXRQAXHOAAORC-UHFFFAOYSA-N 266.344 3.920 30 20 CHED CCC[C@H](/N=C/c1c(O)cccc1OC)c1ccccn1 729149655 MXVZRYGMZMGUQQ-BXUJETTOSA-N 284.359 3.756 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(C)ccc2C)c1 728481064 GZLUCSOIRNUMRR-UHFFFAOYSA-N 277.367 3.951 30 20 CHED CCC[C@@H](Cc1ccccc1)/N=C/c1cccc(O)c1O 727781341 JWXJCWPGRZYJBG-HUCUOGIVSA-N 283.371 3.928 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1coc(-c2ccccc2)n1 490008107 YRHPHHWQEGKBIT-UHFFFAOYSA-N 298.386 3.603 30 20 CHED N#CCCCCCc1nc(-c2c[nH]c3ccccc23)no1 589146247 QHOOKDHAECJSCW-UHFFFAOYSA-N 280.331 3.844 30 20 CHED C=CCCCCCN[C@H](C(=O)O)c1cccc(C)c1C 905399907 KERDHDVWGORJSR-INIZCTEOSA-N 275.392 3.765 30 20 CHED C=C(C)CCNCc1cc(Br)cc(C)c1O 824743375 ACMNZGFQSZPYIE-UHFFFAOYSA-N 284.197 3.519 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(C#N)c(F)c2)C1 581102291 XJENBNMVCCDKNM-RYUDHWBXSA-N 289.354 3.740 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1nc(C2CC2)cs1 904172095 RHWCMWJKIFPMAN-JTQLQIEISA-N 265.378 3.666 30 20 CHED C=CCN(CC(=O)Nc1ccc(SC)cc1)C(C)(C)C 661760745 YWSBUOVLOVVPMD-UHFFFAOYSA-N 292.448 3.634 30 20 CHED C#CC[C@H](NC(=O)/C(F)=C(\C)C1CC1)c1ccccc1 901218900 OMOORUMCIVUCMC-JORMNFRLSA-N 271.335 3.521 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)CCc2ccco2)cc1 733323156 LOQAMXRVXYXKAV-INIZCTEOSA-N 297.398 3.793 30 20 CHED CCCCCCCC(=O)N1CCc2cccc(OC)c2C1 836927050 CVYIDULXAOBFNO-UHFFFAOYSA-N 289.419 3.940 30 20 CHED CCCCCCCCN1CCC[C@@H](N2CCCC2=O)CC1 839667633 VBHTVEJHMBWLQW-QGZVFWFLSA-N 294.483 3.824 30 20 CHED CC(C(=O)Nc1cc(C#N)cn1C(C)(C)C)=C1CCC1 839256428 HKUHKICENZJCJJ-UHFFFAOYSA-N 271.364 3.554 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NN[C@@H](C)C(F)(F)F)C1 834998265 SDSCFRNRCQZOQD-RYUDHWBXSA-N 299.340 3.944 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C2(Cc3ccccc3)CC2)C1 839050736 CETSCGRJASEPHA-CVEARBPZSA-N 283.371 3.635 30 20 CHED CN1C(=O)CCc2cc(/C=C\C(=O)c3cccs3)ccc21 588508725 PMBAGWWSNJRAOQ-YVMONPNESA-N 297.379 3.553 30 20 CHED N#Cc1cc(N2CCC[C@H]2CCc2ccccc2)ccn1 582922060 VNRUFDVMYHVFAB-KRWDZBQOSA-N 277.371 3.555 30 20 CHED C[C@@H](C#N)CNN=C1CCC[C@@H]1Cc1ccc(Cl)cc1 834965356 NRPMSILJUVFOIS-GXTWGEPZSA-N 289.810 3.788 30 20 CHED CC(C)(CCC#N)CNc1ccc(NC(=O)O)c(F)c1 833457292 MZGUXASSFCLNIY-UHFFFAOYSA-N 279.315 3.657 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)COc2ccccc21 730733131 UQNMLGSIMDFQBK-DHZHZOJOSA-N 272.250 3.624 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CCC[C@H]1CC)c1ccccn1 835134072 RCUBWWCSCCNLNT-YCPHGPKFSA-N 271.360 3.516 30 20 CHED CC1(C#N)CCC(=NNc2nc(-c3ccccc3)no2)CC1 834952083 LOTBDZLRNFRODV-UHFFFAOYSA-N 295.346 3.608 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2)cc1 830063648 GFBUIFDICSZICE-LFYBBSHMSA-N 296.322 3.680 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(CCC)cc2)CC1 831103926 KSDQHOYWNVZUJF-UHFFFAOYSA-N 270.376 3.516 30 20 CHED C=C(C)COC(=O)c1ccc(OC2CCCC2)c(OC)c1 917309643 GIYPQXMAKABGBC-UHFFFAOYSA-N 290.359 3.750 30 20 CHED CCCCOc1cccc(C/N=C/c2cccc(O)c2O)c1 915982123 PMJYQOPJJYLDFS-CPNJWEJPSA-N 299.370 3.896 30 20 CHED Cc1cc(C=NOCC(C)C)c(C)n1-c1nccs1 749632505 ZWYGNVJYUHGZAA-UHFFFAOYSA-N 277.393 3.557 30 20 CHED CN(C(=O)CCC1CCCCCC1)c1ccc(C#N)nc1 594057394 CKDYOWBIEYOHEZ-UHFFFAOYSA-N 285.391 3.667 30 20 CHED CCCc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1 916411387 ZMPOBOAALNTRBM-UHFFFAOYSA-N 293.370 3.832 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(C1CC1)[C@H](C)C#N 598128327 IJTCQLXQNGBOIB-UKRRQHHQSA-N 276.424 3.886 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C(C)(C)C 593976294 UAYUZWOJIPQDEK-WMLDXEAASA-N 298.430 3.774 30 20 CHED Cc1ccc(-c2csc(CN(C3CC3)[C@@H](C)C#N)n2)cc1 595710989 YVERXYAZQUBZTM-ZDUSSCGKSA-N 297.427 3.995 30 20 CHED C=CCOc1ccc(OC(=O)Cc2ccccc2F)cc1 742864811 YLQLZUALWUALNN-UHFFFAOYSA-N 286.302 3.539 30 20 CHED N#Cc1ccc(OC(=O)Cc2csc3ccccc23)cc1 915872300 FEBFGKDRTPXWAC-UHFFFAOYSA-N 293.347 3.921 30 20 CHED C=C1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1 591062864 WDHWEYBARDBQGP-UHFFFAOYSA-N 289.806 3.940 30 20 CHED CCCC(=NNC[C@H]1CCSC1)[C@@H]1CC1(C)C 841638279 ASWPCFPNZJIJTF-NEPJUHHUSA-N 254.443 3.531 30 20 CHED CCCCCCCC(=O)NC[C@H](c1ccsc1)N(C)C 914496205 MNZCJDPLNAOZEV-OAHLLOKOSA-N 296.480 3.828 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 597994511 JFQWQQGDPGQAQA-MAUKXSAKSA-N 296.414 3.552 30 20 CHED CC[C@@H](COC(=O)c1cccc(CC#N)c1)CC(F)F 845758227 ISSZZLIMZXFEDB-LLVKDONJSA-N 281.302 3.591 30 20 CHED CCC(C=Nn1c(S)nnc1-c1ccccc1)CC 916307710 KXPDEFBXBUHNKR-UHFFFAOYSA-N 274.393 3.504 30 20 CHED CCCCCCCC(=O)NCc1ccc(OC)cc1OC 914125531 CPVHDKVBTXHGTI-UHFFFAOYSA-N 293.407 3.681 30 20 CHED C#C[C@@H](OC(=O)c1cn(CCCC)nc1C)c1ccccc1 842391374 MJRMJMAPGYYMCX-QGZVFWFLSA-N 296.370 3.523 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H]1CC(C)(C)Oc2ccccc21 842376148 KHUCFIWYHNJPEJ-HIFRSBDPSA-N 286.371 3.676 30 20 CHED N#CC1(CCOC(=O)c2cc(C3CC3)no2)CCCCC1 840545828 QOUOLLFCKSTYNM-UHFFFAOYSA-N 288.347 3.573 30 20 CHED C[C@@H]1CN([C@H](C#N)c2ccccc2)C[C@H](c2ccsc2)O1 595344871 OCAVBUQLKUIPJQ-KBRIMQKVSA-N 298.411 3.775 30 20 CHED CC(C)N(C(=O)c1cccc(C#N)n1)[C@H](C)c1ccsc1 591524194 NFAZYESZXMESIE-GFCCVEGCSA-N 299.399 3.627 30 20 CHED CCCCCCCC(=O)NCc1ccccc1-n1cccn1 742467147 QFKKBSYSTNVAAQ-UHFFFAOYSA-N 299.418 3.849 30 20 CHED Cc1ncc(C=NNc2ccccc2Br)s1 917543087 DTLRXUYLXTXCHZ-UHFFFAOYSA-N 296.193 3.660 30 20 CHED COCCON=C(CCc1ccc(Cl)cc1)C(C)C 748789324 FVORGXMZZUXJBC-UHFFFAOYSA-N 283.799 3.948 30 20 CHED C#CCCc1noc([C@@H](CC)Sc2ccccc2)n1 842491960 PROCJULBEGUTRU-CYBMUJFWSA-N 272.373 3.879 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1CCC(=O)C1 843772188 VHOBCFNHBQCUGC-CQSZACIVSA-N 267.413 3.565 30 20 CHED C=C[C@H](C)NC(=O)Nc1sc(-c2ccccc2)nc1C 680243747 CWRFNHSPYIGMRZ-JTQLQIEISA-N 287.388 3.815 30 20 CHED N#CC1(COC(=O)Cc2cccc(C3CC3)c2)CCCC1 842328781 FIBWLJFDJIYTFW-UHFFFAOYSA-N 283.371 3.734 30 20 CHED CC(C)[C@H](O)Cc1ccccc1-c1cccc(F)c1C#N 596639424 QEWXUEMFTUYFFV-GOSISDBHSA-N 283.346 3.924 30 20 CHED C#CCCCOC(=O)c1cc(Cl)ccc1OC(F)F 749024821 KCPBSVHCRKMRRF-UHFFFAOYSA-N 288.677 3.512 30 20 CHED Cc1ccc(-c2nc(CN(C3CC3)[C@H](C)C#N)co2)cc1 595712736 AAUYMTAJILMCFO-CYBMUJFWSA-N 281.359 3.527 30 20 CHED CCC[C@H](C(=O)N[C@@H](C#N)C(C)C)c1ccc(Cl)cc1 598829353 ZBVQJIPQGZJPSM-GJZGRUSLSA-N 292.810 3.888 30 20 CHED Cc1nsc(C)c1C(=O)OCCC1(C#N)CCCCC1 840573352 BZTIZBZWNLYZTQ-UHFFFAOYSA-N 292.404 3.781 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCc2c(F)cccc21 747060531 VTGZLFKDWYPNLZ-UHFFFAOYSA-N 299.305 3.805 30 20 CHED C=C[C@@H](C)ON=Cc1cnc(C2CCCC2)s1 844621532 ISQQADANDKOTID-SNVBAGLBSA-N 250.367 3.726 30 20 CHED C#CCNC(=O)Nc1ccc(S[C@@H](C)CC)cc1C 748449017 WXZCAYJNJBLKDT-LBPRGKRZSA-N 276.405 3.640 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)/C=C\C3CCCC3)[nH]c12 842722228 MXHPAJRUTQQVTA-CMUBDUJZSA-N 293.370 3.794 30 20 CHED C=CCN(C(=O)[C@H](CC)c1ccc(F)cc1)C(C)C 841045247 QLDZUZYOEAQJGL-OAHLLOKOSA-N 263.356 3.742 30 20 CHED C#CCOCCN[C@H](CC(C)(C)C)c1ccc(F)cc1 753765936 DMLIUIYVXJPDMT-MRXNPFEDSA-N 277.383 3.542 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCCc1ccc(C#N)cc1 850487895 JYNIOJIARWZROL-LJQANCHMSA-N 276.383 3.686 30 20 CHED CC(C)(C#N)C(=O)OCc1c(Cl)oc2ccccc12 856927159 OHXHUFGQPIQIDD-UHFFFAOYSA-N 277.707 3.679 30 20 CHED Cc1nnc([C@@H](C)/N=C\c2c(O)ccc3ccccc23)s1 758815363 KCUHNDXUZDPDOW-LGQZLYSRSA-N 297.383 3.885 30 20 CHED CC(Cn1nc(C)cc1C)=NOCCCCC(F)(F)F 752766121 QKJYZIVMDMKEIX-UHFFFAOYSA-N 291.317 3.625 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(Cl)c(OC)cc1OC 929276950 OZANLGOKGARNGF-JTQLQIEISA-N 297.782 3.898 30 20 CHED CC[C@H](C)n1nc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1C 851208337 RXJISKCNVGPQBZ-WCQYABFASA-N 291.395 3.648 30 20 CHED C[C@H](N[C@@H](C)c1ccc(F)cc1O)c1cccc(C#N)c1 756628035 UQKGWIAKZKNEAQ-RYUDHWBXSA-N 284.334 3.815 30 20 CHED C[C@H](CC(C)(C)C#N)NCCNc1ccc2ccccc2n1 925506704 WRSGNEVBJSGIFN-CQSZACIVSA-N 296.418 3.565 30 20 CHED CCc1nn(C)c(Cl)c1C=NNc1cc(F)ccc1C 853393898 UDCYJSQGOCFGKD-UHFFFAOYSA-N 294.761 3.529 30 20 CHED CCCC1(C(=O)O[C@H](C)CC(C)(C)C#N)CCC1 851208755 CTCFCRKKABBCJO-GFCCVEGCSA-N 251.370 3.828 30 20 CHED COc1cc(CN[C@H](C)CC(C)(C)C#N)c2ccccc2n1 925153103 DGJZFXUBPXWDII-CYBMUJFWSA-N 297.402 3.661 30 20 CHED CC(C)C[C@@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 928220955 KXFNDZZCOFQTOD-NVXWUHKLSA-N 284.403 3.578 30 20 CHED C[C@H](CC(=O)OCCCC(C)(C)C#N)c1ccco1 859812377 OFBLVZDZOSSLOE-GFCCVEGCSA-N 263.337 3.646 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cccc(C)c1C)OCC 756488860 WRIUHRYMWLFEOV-OAHLLOKOSA-N 262.349 3.580 30 20 CHED COc1cc(F)cc(NN=Cc2cc(F)c(F)c(F)c2)c1 759212479 GTDGIEYDYVHSCQ-UHFFFAOYSA-N 298.239 3.698 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1CC[C@@H](C)C1 759217985 BRKOVPPLSQFVRC-CHWSQXEVSA-N 289.350 3.603 30 20 CHED COCc1cccc(/C=C2/Cc3c(OC)cccc3C2=O)c1 759652370 HZYKDTOAMMOUSW-GDNBJRDFSA-N 294.350 3.664 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)OCCC(C)(C)C#N 755142544 XKQXMNGVDOEZLX-GFCCVEGCSA-N 253.386 3.932 30 20 CHED FC(F)(F)[C@H]1CCCC(=NNc2ncc(Cl)cn2)C1 857220651 LFZRVSPWJZMRFE-ZETCQYMHSA-N 292.692 3.650 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2c3ccccc3n(C)c2s1 753414067 UHCNALSBIPEUHQ-SNVBAGLBSA-N 298.367 3.852 30 20 CHED C[C@@H]1CC[C@H](Nc2c(C#N)cnc3ccccc23)C1 132736280 CSIKAAUPRJPGFL-YPMHNXCESA-N 251.333 3.707 30 20 CHED CCCc1ccc(C(C)=NOCC(F)(F)F)cc1 764835604 MJXYGUIWSCVJKQ-UHFFFAOYSA-N 259.271 3.942 30 20 CHED C#C[C@@H](C)N(C)CCCc1ccc(C(F)(F)F)cc1 769963511 VGPVCEXBDCBEAZ-GFCCVEGCSA-N 269.310 3.592 30 20 CHED CCc1ccc(C=NNCCc2ccccc2F)s1 764722832 NQHHIUBOSWFYIN-UHFFFAOYSA-N 276.380 3.616 30 20 CHED C#Cc1ccc(C(=O)Oc2ccc(C3CCC3)cc2)nc1 767231630 YWOSCHXSSSNYMX-UHFFFAOYSA-N 277.323 3.550 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCOc1ccccc1 768370626 WSSGMHSMPZZBDF-UHFFFAOYSA-N 289.375 3.719 30 20 CHED C=CCNc1ncc(C(=O)NC2CCCCCCC2)s1 761714113 YOJZQRSGKJSPBY-UHFFFAOYSA-N 293.436 3.584 30 20 CHED COc1cc(F)ccc1NN=Cc1cc(C)nc(Cl)c1 761890695 QHYWFCQNBXYAQZ-UHFFFAOYSA-N 293.729 3.637 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(C#N)c(C)c2)c1 766482438 ALMQIHQGRJCXIM-VQHVLOKHSA-N 277.323 3.771 30 20 CHED CC[C@H](C)CON=Cc1ccc(OC(F)F)c(OC)c1 764535494 PCKWEPDJBUJICV-JTQLQIEISA-N 287.306 3.693 30 20 CHED C#CCCCN[C@H](C)CCc1ccc(OC/C=C/C)cc1 766222730 LISKPRHKOJTNCP-QQOXCAACSA-N 285.431 3.966 30 20 CHED CCON=Cc1ccc(N(C)c2ccccc2)cc1 767464885 SQRCCELIMNSKME-UHFFFAOYSA-N 254.333 3.825 30 20 CHED CC(C)Oc1ccc(NCc2cnc(C3CC3)o2)cc1C#N 862303061 IVKLXJVZPJZIEF-UHFFFAOYSA-N 297.358 3.823 30 20 CHED CS/C=C\C(=O)Nc1sc2c(c1C#N)CCCCC2 764222784 MDFHLMYVSJHEII-FPLPWBNLSA-N 292.429 3.704 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2cc3ccccc3o2)ccc1F 769830175 XTIZCUGVXKDOAP-UHFFFAOYSA-N 299.261 3.926 30 20 CHED Fc1ccc(CC=NO[C@@H]2CCCCO2)c(Cl)c1 766452221 CFGHODTVIVWHOW-CYBMUJFWSA-N 271.719 3.551 30 20 CHED CC(=NNc1ccc(Cl)cc1)[C@@H]1CCCOC1 779756712 VLVKYULHFRLVDH-LLVKDONJSA-N 252.745 3.554 30 20 CHED C[C@H]1C[C@@H](CC(=O)OCC2(C#N)CC2)CC(C)(C)C1 775854930 JNNUHZOJBNRVBZ-STQMWFEESA-N 263.381 3.686 30 20 CHED Cc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)cc1C 1117260957 CZKHGODBHRRKCK-UHFFFAOYSA-N 275.311 3.892 30 20 CHED N#Cc1ccccc1COC(=O)CC[C@H]1CC1(Cl)Cl 1118473107 JMIQHRDRNLQCOG-LBPRGKRZSA-N 298.169 3.575 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1ccc(OC)cc1 776203260 ORUVCQDXIZUZPB-GFCCVEGCSA-N 278.421 3.726 30 20 CHED O=C(/C=C\c1nc2c(s1)CCCC2)c1ccc(O)cc1 776263939 UWNRCMOHIBDAQZ-KTKRTIGZSA-N 285.368 3.624 30 20 CHED C#C[C@@H](CC)OC(=O)c1cn(CCCC#N)c2ccccc12 774208908 KWMCZUTYPVRFGA-AWEZNQCLSA-N 294.354 3.514 30 20 CHED C=CC[C@H](NCc1ccc(C)c(OC)c1)c1ccncc1 774990395 TVILAMZWWUVTMB-KRWDZBQOSA-N 282.387 3.806 30 20 CHED C=CCC[C@@H](NC[C@H]1COC2(CCC(C)CC2)O1)C1CC1 777314458 VEYLKPGAGGLMKZ-FFDQMNFHSA-N 293.451 3.643 30 20 CHED C#CCCCCC(=O)N(CC(C)C)c1ccc(C#N)cc1 773290728 AKFLZWDAOUSIKD-UHFFFAOYSA-N 282.387 3.741 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1ccc([N+](=O)[O-])cc1F 773126904 WRQCJOYITUBODO-CQSZACIVSA-N 293.342 3.626 30 20 CHED N#CC1CCC(CNC/C=C\c2cccc(F)c2)CC1 886104672 HXIGXUJNNKQZDK-RQOWECAXSA-N 272.367 3.758 30 20 CHED C[C@H](C#N)Oc1ccccc1NC[C@H]1CC1(Cl)Cl 779742687 LUIUYWDXOZDMEE-NXEZZACHSA-N 285.174 3.583 30 20 CHED Cc1cccc(C)c1CNC(=O)c1ccc(C#N)c(Cl)c1 777740134 LKONGRBICXMPOH-UHFFFAOYSA-N 298.773 3.759 30 20 CHED Cc1cnc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c(C)c1 1122720776 FRWZZKLAXJOBBK-LBPRGKRZSA-N 299.399 3.768 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1OC 785976978 YCLLDBVAKTXRGA-GFCCVEGCSA-N 294.782 3.921 30 20 CHED Cc1cc(NN=C2CC[C@@](C)(c3ccccc3)C2)ncn1 780227875 VFWHXYSIKRPJRA-QGZVFWFLSA-N 280.375 3.695 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc(CC#N)cc2)c1 784177543 OFUHSDQJJALSAK-UHFFFAOYSA-N 274.367 3.760 30 20 CHED C#CCC1(C(=O)Nc2cccc(C#N)c2C)CCCCC1 788232062 IKMFCCIUPRPGIO-UHFFFAOYSA-N 280.371 3.779 30 20 CHED C=CCCN(C)Cn1c(=S)n(CC)c2ccccc21 786100514 AJICDCRYGGGYBH-UHFFFAOYSA-N 275.421 3.658 30 20 CHED C=CCC1(O)CCN(Cc2ccc(CCC)s2)CC1 895834880 TXHIKGUMHOAQHD-UHFFFAOYSA-N 279.449 3.604 30 20 CHED C=C1CC(c2noc(-c3ccccc3OCC)n2)C1 896884534 SCTSMZIMJWDOLG-UHFFFAOYSA-N 256.305 3.569 30 20 CHED Cn1ncc(Cl)c1/C=C\C(=O)c1csc(Cl)c1 787187203 ZFLWFNHNWSWQDT-IHWYPQMZSA-N 287.171 3.685 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNCCC(=O)OC(C)(C)C 783869102 SZULXGHQTHAULF-CHWSQXEVSA-N 282.428 3.510 30 20 CHED CC[C@@H]1CCCC1=NNc1nnc(-c2ccccn2)s1 788027512 QWTWBJZMYNQHRA-SNVBAGLBSA-N 287.392 3.578 30 20 CHED CCCCc1nnc(S)n1N=C[C@H]1CCC[C@@H](CC)C1 783798915 KUBNJSKZHJYINN-OLZOCXBDSA-N 294.468 3.960 30 20 CHED C=CC(C)(C)CNCc1cscc1Br 395391031 PACLPSABFUYLTQ-UHFFFAOYSA-N 274.227 3.812 30 20 CHED C[C@H]1CN(c2snc(Cl)c2C#N)CC(C)(C)C1 784178866 MTODHFSRDRFLLY-MRVPVSSYSA-N 269.801 3.541 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccccc1C 187519121 HMSXEVFEPVXEJT-UHFFFAOYSA-N 258.365 3.540 30 20 CHED C=C1CC(c2noc([C@H](C)Oc3cccc(F)c3)n2)C1 896883967 JPGQGQJPAZBLLZ-JTQLQIEISA-N 274.295 3.782 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCCc3cn(C(C)C)nc32)c1 893112173 CXJXVBFWWVAOHD-OAHLLOKOSA-N 295.390 3.529 30 20 CHED N#Cc1cc(F)ccc1NC(=O)NCCC1CCCCC1 1201432869 TZWIMWBYBWYWAI-UHFFFAOYSA-N 289.354 3.789 30 20 CHED CC[C@](C)(C#N)C(=O)NCC(C)(C)C1CCCCC1 560616887 IWEINXVHZQQWAM-MRXNPFEDSA-N 264.413 3.649 30 20 CHED CN(Cc1ccccc1)C1CCC(=NOCC(F)F)CC1 797786531 ZZHPIUBNMYKAPB-UHFFFAOYSA-N 296.361 3.699 30 20 CHED Clc1cccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)n1 793174818 MZQQJGRGLZDKCC-RHYQMDGZSA-N 275.783 3.959 30 20 CHED CCSc1cccc(C/N=C\c2cccc(O)c2O)c1 793667722 KPWRWHBPPJGMBI-BOPFTXTBSA-N 287.384 3.829 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Oc1ccc(C#N)c(OC)c1 797004867 GGMOHBRCKOTMBK-WFASDCNBSA-N 287.359 3.689 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC)Cc1ccccc1Cl 791068415 UAJTWHMIDATMKW-CQSZACIVSA-N 292.810 3.673 30 20 CHED CC(C)OC1(CNCc2ccc(C#N)cc2)CCCCC1 1201017631 NCNGMVRJQVUEHN-UHFFFAOYSA-N 286.419 3.776 30 20 CHED C=CCC(C)(C)C(=O)Oc1cc(F)c(F)cc1C 797254884 WUJIACIDDCSMCP-UHFFFAOYSA-N 254.276 3.781 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@@H]2CCC(F)(F)C2)cc1 797468059 HJRRVZPMVSNZEK-GXTWGEPZSA-N 294.345 3.502 30 20 CHED C#CCC(C)(C)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 767091530 NUTYBXBZBUQVAQ-NWDGAFQWSA-N 289.341 3.521 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H]([C@@H](C)O)C1 780803487 MFOQRPHASWJFDA-CVEARBPZSA-N 283.456 3.747 30 20 CHED CC(C)CC1(CNc2ncccc2C#N)CCCC1 94877905 BIMAFSNNGUJDKY-UHFFFAOYSA-N 257.381 3.972 30 20 CHED CCCCCCCCN(C)C1C[C@@H]2CC[C@H](C1)N2C 796453653 LXIFHTCFVVRNBX-SJPCQFCGSA-N 266.473 3.904 30 20 CHED C[C@@H](CCC#N)N(C)CCOc1ccccc1C(C)(C)C 1307728150 IGEHHSXWSNDDNN-HNNXBMFYSA-N 288.435 3.987 30 20 CHED CCc1nc(C#N)cc(NCC[C@H](C)CC(C)(C)C)n1 1163054603 IMZNGHXVPCGDMB-LBPRGKRZSA-N 274.412 3.785 30 20 CHED CC(Cc1ccccc1Cl)=NNc1ccnc(F)c1 1320804043 AUHLDIKMJBGPSI-UHFFFAOYSA-N 277.730 3.905 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)o1 1327355965 ZDFFMWDVXVKCIQ-LBPRGKRZSA-N 283.375 3.876 30 20 CHED Cc1nc(-c2ccc3ccccc3c2)n(CC2(C#N)CC2)n1 1254265223 RXFOZZOSGLSCTM-UHFFFAOYSA-N 288.354 3.711 30 20 CHED COc1ccc(C(=O)[C@@H](C)Sc2ccc(C#N)cc2)cc1 1321770535 SIXWLGYNRFKKPV-GFCCVEGCSA-N 297.379 3.930 30 20 CHED Cc1cccc(-c2nnc(-c3ccc(Cl)c(C#N)c3)o2)n1 1258036082 WVTOTDXHDSQLID-UHFFFAOYSA-N 296.717 3.632 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccc(COCC)cc2)c1 1252222247 NXMIDDRRPBUWMZ-UHFFFAOYSA-N 294.354 3.848 30 20 CHED COC[C@@H]1CCCCN(CCCCC2(C#N)CCC2)C1 1334794695 VBAINMDYMCHMOJ-MRXNPFEDSA-N 278.440 3.599 30 20 CHED Cc1cc(NCCc2ccc(Cl)cc2)ncc1C#N 1184590273 RSDVSLTZXMJQNS-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=C/C=C/CCOC(=O)C[C@@H](CC#N)c1ccccc1 1333945087 WDCNAEYJBYHVKO-QDLOVBKTSA-N 269.344 3.749 30 20 CHED CSc1ccccc1C(=O)/C=C/c1cn(C)nc1C1CC1 1333911723 BHCHYTQKTSHYEL-MDZDMXLPSA-N 298.411 3.916 30 20 CHED N#CC1(CC(=O)OCc2cc(F)ccc2F)CCCCC1 1333296683 BXPHRGLODXCEBY-UHFFFAOYSA-N 293.313 3.872 30 20 CHED CC[C@H](C#N)N(CC)C(=O)C1(c2ccc(C)cc2)CCC1 1338330553 ZLUSUUMYNAEYHP-MRXNPFEDSA-N 284.403 3.567 30 20 CHED C=C(C)CCOC(=O)c1cc(C)n(Cc2ccco2)c1C 1345465159 ZQNHMJAHMHHGON-UHFFFAOYSA-N 287.359 3.869 30 20 CHED CC[C@H](/N=C/c1ccc(O)c(O)c1O)c1ccc(F)cc1 1342194552 TZLVBASKFDYWIL-VVSAQIQQSA-N 289.306 3.513 30 20 CHED N#CC1(COC(=O)c2ccc(-c3ccccc3)s2)CC1 1343328881 UWXPBWQDVYZVBP-UHFFFAOYSA-N 283.352 3.876 30 20 CHED CCCC(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1348798318 IXCHPTSZQCNIMJ-GWCFXTLKSA-N 251.351 3.682 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)CCC3(C)CC3)[nH]c12 1347052170 PWEULGJZLWOBIU-LBPRGKRZSA-N 281.359 3.628 30 20 CHED C=C(C)CN(CC)c1nnc([C@@H]2CCC(F)(F)C2)n1CC 1341208688 AKGSVCICZRXTQF-GFCCVEGCSA-N 298.381 3.603 30 20 CHED N#C[C@H](C(=O)C1=CCCCC1)c1nc2cccc(Cl)c2[nH]1 1344367241 CGWQPAVXAGWQTP-LLVKDONJSA-N 299.761 3.893 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](c1ncc(C)s1)C1CC1 1355025843 SUTNHMMUGXVHSJ-BXUZGUMPSA-N 278.421 3.621 30 20 CHED Cc1cc(C)c(CC(=O)[C@@H](C#N)c2cccc(F)n2)c(C)c1 1357639176 HFKLHHHIXJHRKN-HNNXBMFYSA-N 296.345 3.565 30 20 CHED CN(Cc1cccc(C#N)c1F)CC1CCCCC1 223516270 KMJKMDSDXNGUTQ-UHFFFAOYSA-N 260.356 3.709 30 20 CHED N#Cc1cccc(C(=O)NC2(c3ccccc3Cl)CC2)c1 1529565792 XHWMCYNCVKCTJT-UHFFFAOYSA-N 296.757 3.631 30 20 CHED N#Cc1cncc(N2CCC[C@H]2CCC2CCCCC2)n1 1458254231 NMKZMWUJUHAYAG-INIZCTEOSA-N 284.407 3.678 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2C[C@H]2F)ccc1Oc1ccccc1 1529906445 CTNARNMGCQVEEP-HUUCEWRRSA-N 296.301 3.647 30 20 CHED C=C[C@@H](C(=O)NC[C@@H]1CCCC1(F)F)c1ccccc1 1521646645 QVOATPSVDOWPJS-UONOGXRCSA-N 279.330 3.508 30 20 CHED CCC[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C1CCC1 1468901671 WZCPEDLVLPYKAS-OAHLLOKOSA-N 290.794 3.910 30 20 CHED Cc1ccc(N[C@H](CCC#N)c2ccccc2)nc1C(=O)O 1607807726 UEYSYGYSSIPMFK-CQSZACIVSA-N 295.342 3.545 30 20 CHED CCCCCCCNCc1ccccc1[N+](=O)[O-] 105551011 QHRQDRRDXTUNOB-UHFFFAOYSA-N 250.342 3.655 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1cc(C#N)cnn1 1611905895 RNDZAJZJJXQGSN-UONOGXRCSA-N 272.396 3.613 30 20 CHED N#C[C@H]1CCCN(CCCc2c(F)cccc2Cl)C1 1474703693 CTDRAJBZZWFYBO-GFCCVEGCSA-N 280.774 3.647 30 20 CHED Cc1csc(NC(=O)N(C)Cc2cccs2)c1C#N 1476559556 YHKKMHFOFIEFHR-UHFFFAOYSA-N 291.401 3.654 30 20 CHED N#Cc1cccc(CN2CCCc3cccc(F)c32)c1F 1473265911 DOBOYKYSNLMJME-UHFFFAOYSA-N 284.309 3.789 30 20 CHED Cc1ccc(COc2cccc(F)c2C#N)cc1F 1613645664 OLQQBBYDDSNAAT-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC(C)Oc1ccc(Nc2ncc(C#N)cc2F)cc1 1559071820 CYOKSRYYWYZLSM-UHFFFAOYSA-N 271.295 3.623 30 20 CHED CC[C@H]1CCC[C@H](CNc2n[nH]c(C3CC3)c2C#N)C1 1560499181 QRNKAXMVBMTALB-RYUDHWBXSA-N 272.396 3.787 30 20 CHED Cc1ccc(C)c(Cn2cc(C#N)c3ccccc3c2=O)c1 1641295684 PSPMQAWPMOARBA-UHFFFAOYSA-N 288.350 3.538 30 20 CHED CC(C)C[C@@H]1CCCN(CCOc2ccccc2C#N)C1 1644937130 QUJOZTJPNGBVPN-INIZCTEOSA-N 286.419 3.695 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1ccc(F)cn1 1652050818 OOXMBQONLWDTEF-UHFFFAOYSA-N 276.698 3.633 30 20 CHED CO[C@@H](COc1ccc(C#N)c(C)c1)Cc1ccccc1 1652813453 HKLGFGSITDCRHV-GOSISDBHSA-N 281.355 3.503 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)c(C)n1 1585045830 CLPGBNWUAMSJCT-ZBFHGGJFSA-N 299.418 3.598 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H](C(=O)O)C1 1589644828 AYPXBDZGAJLKIY-LSDHHAIUSA-N 297.439 3.696 30 20 CHED N#CC1(CSc2ccc(C(F)(F)F)nn2)CCCC1 1652785096 CKBNNAOGCIMPDN-UHFFFAOYSA-N 287.310 3.671 30 20 CHED CCCOc1ccc(CN(CCC#N)CC2CC2)c(C)c1 1651830905 ISCQVPMTNKKYML-UHFFFAOYSA-N 286.419 3.910 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CCC[C@@H]2CCC(C)C)n1 1655091598 CBJJMKKGGJNCNX-HIFRSBDPSA-N 272.396 3.674 30 20 CHED C=CC1CCN([C@H](C(=O)O)c2ccc(F)cc2Cl)CC1 1776150166 ZTQQCMGJSPGONU-AWEZNQCLSA-N 297.757 3.503 30 20 CHED C=C(CNC(=O)N[C@H](C)c1ccc(F)cc1)c1ccccc1 1673395813 VVPWUTVRBYZQJL-CQSZACIVSA-N 298.361 3.899 30 20 CHED C=CCC[C@@H](NCc1ccc(CC2CCC2)cc1)C(=O)O 1776166860 ILTIHDHZSPLAAH-QGZVFWFLSA-N 287.403 3.538 30 20 CHED CCCC(=NNc1ccc(C(=O)O)cc1)[C@H]1CC1(C)C 1776013184 LNVUZZHCQNCTJB-CYBMUJFWSA-N 274.364 3.999 30 20 CHED CCCC[C@@H]1CCCC1=NNc1ccc(C(=O)O)nc1 1776069543 PLMHPZWCTGXBDA-LLVKDONJSA-N 275.352 3.538 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2cc(C)sc2C)CC1 1776161937 CZQIEZDXFYWUSS-UHFFFAOYSA-N 293.432 3.608 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(CC(CCC)CCC)C1 1776159414 QPSZGAZNGPQBFU-MRXNPFEDSA-N 267.413 3.556 30 20 CHED Cc1ccc(C=NNc2ccc(CC(=O)O)cc2)c(C)c1C 1776085725 HGOXRKHYZZLIEW-UHFFFAOYSA-N 296.370 3.685 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C)c1)CO2 12773015 DNIMPBILJRVAPE-NTEUORMPSA-N 280.323 3.662 30 20 CHED CC[C@@H](c1ccccc1)[S@@](=O)Cc1cccc(C#N)c1 161641834 OXOOXKVOUXZFPV-FXAWDEMLSA-N 283.396 3.958 30 20 CHED C=CCC[C@H](CC)Nc1cccc(-c2ncn(C)n2)c1 153521684 VAIJXPUKSXXCHO-AWEZNQCLSA-N 270.380 3.639 30 20 CHED C=CCCNc1ccc(C(=O)Nc2ccccc2OC)cc1 157141040 PLUBCXXLYASUJY-UHFFFAOYSA-N 296.370 3.936 30 20 CHED N#CCOc1ccc(C(=O)/C=C/c2ccccc2F)cc1 8321691 XKQBMMJPOZIPTK-JXMROGBWSA-N 281.286 3.624 30 20 CHED Cc1ccc(O)c(CN(Cc2ccc(C#N)cc2)C(C)C)c1 154381591 GULXKWCWLQRFKM-UHFFFAOYSA-N 294.398 3.983 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(N(C)C)c1 156801743 APRDFRFTTZYOIK-UHFFFAOYSA-N 274.408 3.571 30 20 CHED CC#CCCn1c(-c2ccccc2)c(CC)sc1=O 154879477 KSIPTHVCPJGYIK-UHFFFAOYSA-N 271.385 3.553 30 20 CHED Cc1ccsc1CN(CCC#N)Cc1ccco1 159602291 ZGQGDZGXJFCGRT-UHFFFAOYSA-N 260.362 3.565 30 20 CHED CCCOc1ccc(CNc2cccc(C#N)c2)cc1 21802084 ICBSRKUAXHFUSY-UHFFFAOYSA-N 266.344 3.959 30 20 CHED C#Cc1cccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)c1 126449585 XPLREQDCBJTIPM-UHFFFAOYSA-N 286.718 3.842 30 20 CHED CC1(C)CC[C@H]1Nc1c(Br)cccc1C#N 1163266147 SOEKGVZSJLZAEW-LLVKDONJSA-N 279.181 3.921 30 20 CHED C[C@H]1C[C@@H](C)CN(c2c(Br)cccc2C#N)C1 1184616882 BQGPCVOCPXBQLU-PHIMTYICSA-N 293.208 3.803 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC2(C3CC3)CC2)n1 1185874493 KNEKMVUHRYPROB-UHFFFAOYSA-N 269.392 3.853 30 20 CHED C[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 37306342 DNRCQSZLYOUFDE-SNVBAGLBSA-N 268.282 3.813 30 20 CHED N#Cc1ccc(CN2CCc3ccccc32)c(Cl)c1 162859347 KRIJISCQRMIOFI-UHFFFAOYSA-N 268.747 3.774 30 20 CHED C=CCSc1cc(Br)ccc1OC 303815107 CQZRRGBPJLLHMO-UHFFFAOYSA-N 259.168 3.736 30 20 CHED N#CCCCCNC(=O)CCSc1ccccc1Cl 171594841 YOBSGXKLTURHAK-UHFFFAOYSA-N 296.823 3.632 30 20 CHED N#Cc1ccc(N[C@H]2CCCSC2)c(C(F)(F)F)c1 61575641 GZNJFCOBTUUBJI-JTQLQIEISA-N 286.322 3.885 30 20 CHED N#Cc1cccc(C(=O)Nc2ccsc2Cl)c1 187883736 ONPPJEROOUWRQS-UHFFFAOYSA-N 262.721 3.525 30 20 CHED CC#CCCNCc1ccc(F)c(Cl)c1Cl 309348404 MHUQARHHOULKQK-UHFFFAOYSA-N 260.139 3.636 30 20 CHED C=C(C)CCN(Cc1ccccc1)CC1CCOCC1 509670545 KNPOWSWTDPIQEB-UHFFFAOYSA-N 273.420 3.881 30 20 CHED CC(C)c1ccc(NC(=O)N2CCC(C#N)CC2)cc1 96722175 HZDMNPIIQCZOAC-UHFFFAOYSA-N 271.364 3.577 30 20 CHED N#CC1(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CCCCC1 332915146 VQPJNJNWDJRGPQ-RBSFLKMASA-N 274.408 3.545 30 20 CHED CS[C@H]1CCCCN(c2nc(C)c(C#N)cc2Cl)C1 360083452 PWERXHIWHLLHRA-LBPRGKRZSA-N 295.839 3.637 30 20 CHED C[C@H](CNCc1ccc(C#N)cc1)C1CCCCC1 389034660 KZOJUBYXQSWLRE-CQSZACIVSA-N 256.393 3.864 30 20 CHED CC[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C)C(C)C 105754056 XRFBWBVLYFCWFG-ZIAGYGMSSA-N 297.402 3.822 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCc1cccc(C#N)c1 308091140 QYVZOACKQOZXBX-INIZCTEOSA-N 272.392 3.637 30 20 CHED C=CCCOC(=O)c1csc(Cc2ccc(F)cc2)n1 103646812 AYGKIFDGMFYZGM-UHFFFAOYSA-N 291.347 3.606 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC[C@@H]1CC[C@@H](C)O1 175839311 CDSJUSPDWAGOIS-WBVHZDCISA-N 287.403 3.549 30 20 CHED C=C(Cl)CNCc1ccc(N2CCCCC2)cc1 134792217 OXWXLZKPXITQAH-UHFFFAOYSA-N 264.800 3.519 30 20 CHED C=CCN(Cc1ccccc1F)Cc1nnsc1Cl 56312471 FUHXASBRPFLGAX-UHFFFAOYSA-N 297.786 3.519 30 20 CHED Cc1cc(C#N)ccc1OCc1ccc(-n2cccn2)cc1 110492482 SNHFJEQHRNZRSD-UHFFFAOYSA-N 289.338 3.631 30 20 CHED COc1ccc(CNc2ccccc2)cc1OCCCC#N 174285819 JPYBILMNUXFKSD-UHFFFAOYSA-N 296.370 3.990 30 20 CHED N#Cc1cccc(NC(=O)CCc2cc(Cl)cs2)c1 78169877 SWSWRCSGBRKGHO-UHFFFAOYSA-N 290.775 3.844 30 20 CHED C=C(Cl)CN1CCS[C@@H](C)[C@H]1c1ccccc1 303693277 MNZGIWIDSMZVNG-JSGCOSHPSA-N 267.825 3.918 30 20 CHED C=CC[C@H](C)NC(=O)Cc1cc(Cl)ccc1Cl 116859160 FBRLAZGRXNAILS-VIFPVBQESA-N 272.175 3.617 30 20 CHED C[C@@H](C[C@@H](O)c1ccco1)Nc1c(Cl)cccc1C#N 301881404 IHVQWHUOPZQZTQ-GXFFZTMASA-N 290.750 3.729 30 20 CHED C=CCN(C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 121520745 LUBVJXSIFIRVDD-KRWDZBQOSA-N 298.361 3.623 30 20 CHED N#Cc1cnc2ccccc2c1NCc1ccc(Cl)nc1 301357892 LBWIEHMJPMMHCR-UHFFFAOYSA-N 294.745 3.767 30 20 CHED C=CCN(Cc1cccs1)Cc1c(C)nn(CC)c1C 119934409 CINOAXIBYBJWCG-UHFFFAOYSA-N 289.448 3.770 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccc(C)n2C)c1 66727227 UTKCRWRPSKQDIM-UHFFFAOYSA-N 284.359 3.541 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 116957019 STZXPXOHZQLAOL-MNOVXSKESA-N 295.452 3.765 30 20 CHED C=C[C@@H](CC(=O)N(CCC)C1CC1)c1ccccc1 129620596 LUZUTDKTGIAGMY-AWEZNQCLSA-N 257.377 3.747 30 20 CHED C[C@@]12CC3CC(C(=O)NCCCCC#N)(C1)C[C@](C)(C3)C2 112724050 GPNKCAPMPXBWII-JGAFYBCUSA-N 288.435 3.793 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C(C)(C)c1ccc(F)cc1 171165611 UXGOUEPVDHVKNQ-UHFFFAOYSA-N 296.345 3.922 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cc(F)c(F)cc1F 182650022 PJZCSZSPIJAGOL-JTQLQIEISA-N 285.309 3.507 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@H](C)c1cccnc1)c1ccccc1 119808842 JTOAZYPXCCJMJA-CVEARBPZSA-N 294.398 3.961 30 20 CHED CC1(C)CC[C@@H](CNc2ccc(C#N)nn2)c2ccccc21 301942585 XKPBMDDIYFEEMJ-ZDUSSCGKSA-N 292.386 3.615 30 20 CHED CCOc1ccc(Nc2cccc(F)c2C#N)cc1OC 301076818 QFDUNHLXCMLQHR-UHFFFAOYSA-N 286.306 3.848 30 20 CHED C[C@@H](/N=C/c1cccc(O)c1O)c1ccc(F)cc1F 22769745 GADRIYKPYCUFOU-SEYNJHBTSA-N 277.270 3.556 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(Cl)cc1 189747936 IUJMABAVEJODSH-CQSZACIVSA-N 251.757 3.559 30 20 CHED C=CCCCCCCNc1ccc(C(=O)O)c(C)n1 311963645 LWVZRKIUJPJBPD-UHFFFAOYSA-N 262.353 3.637 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1C 409745779 JSPHKRLVEPBBQW-DOTOQJQBSA-N 286.419 3.615 30 20 CHED CSc1ccccc1NC(=O)N(CCC#N)CC1CC1 78456158 RIPNAVYMRNWSPT-UHFFFAOYSA-N 289.404 3.566 30 20 CHED N#C[C@@H](C(=O)c1cc2cc(F)ccc2s1)c1ccccn1 73971336 KNNQEDHTVQZDNF-GFCCVEGCSA-N 296.326 3.925 30 20 CHED C=CCC[C@@H](C)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 321937605 TZWJOPZFCOMMBU-RBSFLKMASA-N 296.455 3.767 30 20 CHED CCN(Cc1cnc(-c2ccccc2)s1)C[C@H](C)C#N 509812284 MPUPLKRWRSSVTG-CYBMUJFWSA-N 285.416 3.792 30 20 CHED C=CCn1c(SCCCF)nnc1-c1cccs1 123157497 SJLRRXOATJGSHI-UHFFFAOYSA-N 283.397 3.644 30 20 CHED C=CCCO[C@@H](C)C(=O)NC(C)(C)c1cccc(Cl)c1 78180898 KSROPBALFGNXOH-LBPRGKRZSA-N 295.810 3.673 30 20 CHED N#Cc1ccsc1C(=O)Oc1ccc2ccccc2c1 127969912 YSNYBIDXRAJZJQ-UHFFFAOYSA-N 279.320 3.992 30 20 CHED Cc1ccc(C#N)c(NCC(C)(C)c2ccccc2F)n1 500280696 JVAJKVFNSXYKDB-UHFFFAOYSA-N 283.350 3.791 30 20 CHED CCCC(=CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1)CCC 181251934 MVJGCWXBDXZXCT-MRXNPFEDSA-N 298.386 3.861 30 20 CHED CC(C)CN(CCC#N)C(=O)Cc1cccc2ccccc12 314847998 ZPJUJKHTVZRECM-UHFFFAOYSA-N 294.398 3.781 30 20 CHED C=C(C)CN(C)C(=O)Cc1cccc(OCC=C(C)C)c1 415406246 XFDZNYGHXPWJQX-UHFFFAOYSA-N 287.403 3.609 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(-c3ccccc3)cc2)cn1 211320331 IDSUHMJMROAOAT-XFXZXTDPSA-N 288.350 3.983 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1cccc(Cl)c1C 489423728 HBVCCYTYWTVLDZ-ZDUSSCGKSA-N 292.810 3.627 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 125841581 NGQDGXZWJOLXLV-GUTXKFCHSA-N 290.382 3.678 30 20 CHED CCc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])c(OC)c1 120546102 BXTVPMZKVAETTC-UHFFFAOYSA-N 298.298 3.830 30 20 CHED COc1ccc(CNc2cccc(OCC#N)c2)cc1C 37300704 VISYQDMAHPTEMB-UHFFFAOYSA-N 282.343 3.518 30 20 CHED C=CC[C@H](C(=O)Nc1cccc(O)c1F)c1ccccc1 187398393 YUCRISSACLYYCX-ZDUSSCGKSA-N 285.318 3.830 30 20 CHED CCc1ccc([C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)C)cc1 502338010 ZQHLNGMRHMKJQX-QGZVFWFLSA-N 295.386 3.576 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(C(F)F)cc1 335909692 OGOJOPVLKKWSGE-UHFFFAOYSA-N 278.283 3.810 30 20 CHED COCCN(Cc1ccc(C#N)cc1)Cc1cccc(C)c1 77183506 AJOGYOIGZJNDNS-UHFFFAOYSA-N 294.398 3.515 30 20 CHED C=CCC[C@@H]1NC(=O)N([C@@H](C)c2cccc(C3CC3)c2)C1=O 419967909 OYWOLHRMWZEUTO-LRDDRELGSA-N 298.386 3.512 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 416282225 BWQYUPSUYKIGOC-CABCVRRESA-N 288.391 3.747 30 20 CHED CC[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)Oc1ccccc1F 185853686 JURGUKTUHORNQD-ZNMIVQPWSA-N 290.382 3.655 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1C[C@@H](C)C[C@H](C)C1 502972221 VDSBNBRWZJIXKD-RYUDHWBXSA-N 270.376 3.878 30 20 CHED C[C@H](O)C[C@H]1CCCCCN1CCC1(C#N)CCCCC1 411715837 DJBHVUQEMRMWGL-DLBZAZTESA-N 292.467 3.866 30 20 CHED Cc1cc(COc2cccc(C#N)c2)c2ccccc2n1 78717680 HCCNFIOAYONRDS-UHFFFAOYSA-N 274.323 3.994 30 20 CHED COc1ccc(C#N)cc1CN[C@H](C)[C@H](C)c1ccccc1 183370969 SRKCNOGUZZZUMU-LSDHHAIUSA-N 294.398 3.849 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1ccc(C(C)(C)C)cc1 410118333 HMOOWTNFLJBSCB-MRXNPFEDSA-N 273.420 3.998 30 20 CHED C[C@H]1CCCCN1CCC1CCN([C@H](C)CCC#N)CC1 411350611 SGQUCFVWBHJBBS-DLBZAZTESA-N 291.483 3.655 30 20 CHED C=CCOCCCOc1ccc2ccccc2c1OC 419081987 OWTOBJIDPGQSOJ-UHFFFAOYSA-N 272.344 3.820 30 20 CHED C[C@H](N[C@@H]1CCc2ccccc2OC1)c1cccc(C#N)c1 509517325 SSPURXAORVYHEG-KBXCAEBGSA-N 292.382 3.603 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)COC(C)C 414539481 SEBRONCTILREDZ-NVXWUHKLSA-N 261.409 3.577 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@H]1c1cccnc1 336803688 ZICXVJCJWJFEBF-OAHLLOKOSA-N 257.381 3.548 30 20 CHED CC(C)n1ncc2ccc(N=C(O)N3C[C@@H]4CCC[C@@H]43)cc21 329926288 KORWWVXBGJUQGV-ZFWWWQNUSA-N 298.390 3.647 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1 220248445 KDUJQYVMMSBKIZ-YOEHRIQHSA-N 277.408 3.585 30 20 CHED C=CCCC1=NN=C(Nc2ccccc2C)SC1 134436747 FJKDVFPGZPEAIC-UHFFFAOYSA-N 259.378 3.832 30 20 CHED CC1(C)CCC(/N=C(/O)C2CCSCC2)(C(=N)O)CC1 328892117 TWTJDPZNKVSNDA-UHFFFAOYSA-N 298.452 3.960 30 20 CHED CCOc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 192952381 YMFACWYPEUBGNP-HOCLYGCPSA-N 272.392 3.566 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2nccs2)CCCC1 134015826 ZWCSBZJPHIKYQS-UHFFFAOYSA-N 290.432 3.797 30 20 CHED C=CCC[C@H](NC[C@]1(C)C[C@H]2CC[C@H]1O2)c1ccco1 424294491 OXSFNFLLRIKJAC-WTTBNOFXSA-N 275.392 3.834 30 20 CHED C=C(Cl)C[S@@](=O)[C@H](C)c1ccc(F)c(F)c1 131512314 WHWJAYFANDKLJJ-BCTVWOGZSA-N 264.724 3.527 30 20 CHED C#CCCCC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 192096234 JWBWJXFXBGKMJZ-INIZCTEOSA-N 297.402 3.570 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2cc(C#N)cs2)cc1 84070223 IKGVWQMVZYEXFI-NSHDSACASA-N 284.384 3.673 30 20 CHED CC1(C)CN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H]1C1CC1 515023950 PLBRYFKUZKKMKK-CYBMUJFWSA-N 295.308 3.597 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2O[C@H](C)C1 429113953 JMYXLSVQWVQDPM-CABCVRRESA-N 292.382 3.902 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](COCC)C(C)C)c1ccccc1 190996466 BHKXRONQSQQPCI-RDJZCZTQSA-N 289.419 3.524 30 20 CHED Cc1scc(/C(O)=N/[C@@](C)(C#N)CC(C)C)c1C 330665959 WUKZDIZPYPVTAO-CQSZACIVSA-N 264.394 3.998 30 20 CHED C=CCCSCC(=O)N[C@H](c1ccccc1)C1CC1 193664720 KTHXBUUXUDLPPE-MRXNPFEDSA-N 275.417 3.563 30 20 CHED N#Cc1ccncc1C(=O)N1CCCC2(CCCCCC2)C1 336143444 JORQOFQBOIXHNT-UHFFFAOYSA-N 297.402 3.530 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)CCCC2 421135633 BSHXOTOCMLYRMH-LBPRGKRZSA-N 286.375 3.682 30 20 CHED CC(C)CCC/N=C(/O)c1cc(C(C)(C)C)on1 330863953 BDLIGISROXFBKJ-UHFFFAOYSA-N 252.358 3.713 30 20 CHED C=CCOCCN1CC=C(c2c(C)[nH]c3ccccc23)CC1 339037691 RYBFJZLKAKUMMY-UHFFFAOYSA-N 296.414 3.768 30 20 CHED C=C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 237418520 MCLGCXNNNKVWTI-LLVKDONJSA-N 288.372 3.987 30 20 CHED CC(C)(CCC#N)CN1CCCc2ccccc2C1 93085242 UGMOTZSNZQGOQE-UHFFFAOYSA-N 256.393 3.765 30 20 CHED CCC1(CC)CCN(C(=O)c2cccc(C#N)c2C)CC1 338130130 YIQMJURBTQVSPB-UHFFFAOYSA-N 284.403 3.909 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 528578835 DODCQBQGTJRJHE-ZBFHGGJFSA-N 284.403 3.721 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc2ncccc2c1 342690716 KURPLFNFNJEEIX-UHFFFAOYSA-N 298.386 3.936 30 20 CHED CC(C)n1ccc(CSc2ccc(C#N)cc2)n1 342048394 OBWJCXGEOJZFFN-UHFFFAOYSA-N 257.362 3.628 30 20 CHED CC(C)(C#N)CCN1CCC[C@H](c2ccccc2)C1 433061772 LZCFTGQURFNNSX-INIZCTEOSA-N 256.393 3.806 30 20 CHED C[C@@H](NC[C@H]1CCCCS1)c1ccc(C#N)c(F)c1 346799097 QFAGBBGDOJQXMT-BXUZGUMPSA-N 278.396 3.634 30 20 CHED C[C@@H]1CN(C[C@@H](C#N)CCC#N)CC[C@@H]1c1ccccc1 247047208 VPRITBLRRWQEJQ-NUJGCVRESA-N 281.403 3.556 30 20 CHED CCc1nc(CN(C)c2c(Cl)cccc2C#N)cs1 525186152 NPXCLCUJKZJBJP-UHFFFAOYSA-N 291.807 3.867 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]2CCC[C@H]21 245640141 DDUYHJXXZOELLG-SOUVJXGZSA-N 264.413 3.705 30 20 CHED C=CCCC1(C(=O)NCc2cc3c(s2)CCCC3)CC1 526985469 AXLPWCUVMMDIGQ-UHFFFAOYSA-N 289.444 3.990 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@H]2c2cccc(Cl)c2)n1 343042414 AWEGFPZFQDEKMU-LSDHHAIUSA-N 283.762 3.883 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCc3ccccc32)c1 348667172 WVNBSGDKFGOXBR-MRXNPFEDSA-N 296.757 3.629 30 20 CHED N#CC1(N(C(=O)C[C@H]2C[C@H]2c2ccccc2)C2CC2)CCC1 341609049 CRMJYKLEPHDAAO-WBVHZDCISA-N 294.398 3.617 30 20 CHED C=CCC[C@@H](NCCC(=O)OC(C)C)c1ccccc1 341941996 KJIBYHSBDZJKSV-MRXNPFEDSA-N 275.392 3.625 30 20 CHED C=CCCC[C@@H](C)Nc1ncc(C(=O)N(C)C)cc1Cl 342775044 AMNNECLBMOJKBQ-LLVKDONJSA-N 295.814 3.594 30 20 CHED CCCC1CCC(NC(=O)NCc2cccc(C#N)c2)CC1 604364709 JXSGSSNQMFEKCO-UHFFFAOYSA-N 299.418 3.716 30 20 CHED COc1cccc(/C=N\[C@@H]2CCCOc3ccccc32)c1O 255532017 ICDRJNKQKKNLKR-VUFYJBQKSA-N 297.354 3.734 30 20 CHED C=CCCCSc1nc2ccc(C(=O)OC)cc2o1 609782875 MSSRYKHLUYUAOV-UHFFFAOYSA-N 277.345 3.673 30 20 CHED CC[C@H](C)[C@H](CN[C@@H](CCC#N)c1ccccc1)OC 602584035 WJTXTXZHCASCMV-XIRDDKMYSA-N 274.408 3.682 30 20 CHED N#Cc1cccc(CN(Cc2ccc(F)cc2)CC2CC2)n1 602474469 PGQWWKZMEVHPIB-UHFFFAOYSA-N 295.361 3.505 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C#N)cs2)n1 340765120 AMQQUJUHUCVKBR-UHFFFAOYSA-N 259.334 3.523 30 20 CHED CSc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)o1 603432747 SFDMAKISCPSEOG-OAHLLOKOSA-N 284.384 3.650 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCC(=O)[C@H](C)C2)CCCC1(C)C 443869582 PIEOQUUXWVJYCN-FMKPAKJESA-N 291.435 3.585 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC)c1ccc(OC(F)F)cc1 341892201 WHBXXGNXVJDFEM-IUODEOHRSA-N 299.361 3.513 30 20 CHED C=C(C)CN(CC)C(=O)c1ccncc1Oc1ccccc1 440445893 ASGNKUNJERIANU-UHFFFAOYSA-N 296.370 3.912 30 20 CHED CC(=O)Nc1ccc(C)cc1N[C@@H](C)c1cccc(C#N)c1 600849503 OFRCETFHURMLHC-ZDUSSCGKSA-N 293.370 3.998 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NC1CCCC1 352299836 BBMMKADPQINIIS-UHFFFAOYSA-N 273.286 3.739 30 20 CHED C=CCOc1cccc(CNC(C)(C)c2ccc(C)nc2)c1 353155389 ASVQIAAVZDLOPB-UHFFFAOYSA-N 296.414 3.980 30 20 CHED CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)C12CCCC2 538395431 AZWBBRLTSVYBED-FHLIZLRMSA-N 298.430 3.947 30 20 CHED CCc1nc([C@H](C)Nc2ccc(C#N)cc2F)cs1 264748831 LVCJHOMSVGUUNM-VIFPVBQESA-N 275.352 3.889 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc[nH]c1C 352211643 UQXQKIJGAGWCNI-UHFFFAOYSA-N 268.360 3.542 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(C)CC(C)(C)C#N 353188358 VDEQISRHPXBSSY-GJZGRUSLSA-N 298.430 3.984 30 20 CHED CC1CCC(CC(=O)N(CC#N)c2ccccc2)CC1 359705847 OSMMKCMNSOYJDZ-UHFFFAOYSA-N 270.376 3.760 30 20 CHED C=CCCCN(C)Cc1cc2c(cc1SC)OCCO2 353737304 IGZVPDZQBRATIM-UHFFFAOYSA-N 293.432 3.578 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2ccc(F)c3ccccc23)C1 619503412 XKKIIYBMLPGMFC-GOSISDBHSA-N 296.345 3.745 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(SC2CC2)cc1 353255419 RKPQXIPMDVGWFI-UHFFFAOYSA-N 288.416 3.563 30 20 CHED CCC[C@H](CC)[S@@](=O)Cc1ccc(CC#N)cc1 359429759 ISIWRFZIAFJNSL-YJBOKZPZSA-N 263.406 3.580 30 20 CHED CC1(C)CC[C@@H](CSCCOc2cccc(C#N)c2)O1 358661464 MMXRYBIVRHDPIS-HNNXBMFYSA-N 291.416 3.628 30 20 CHED COC1CCC(C)(CNc2ccc(F)cc2C#N)CC1 359813001 HVJOQJSGFLTYCV-UHFFFAOYSA-N 276.355 3.705 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 535124667 HBCJORKINQZKNJ-ARFHVFGLSA-N 261.409 3.794 30 20 CHED C=C1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 264155792 JMAYHWKAMAJYHP-UHFFFAOYSA-N 270.159 3.786 30 20 CHED CCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 266345541 CQIZWLMKBOCSIK-UHFFFAOYSA-N 299.296 3.839 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@H](C)C2(CCC2)C1 537825282 XXKQEWYKOFTHQX-HNNXBMFYSA-N 299.414 3.904 30 20 CHED CC[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 359999983 JLOMBWRXGUFLFN-KSSFIOAISA-N 292.382 3.929 30 20 CHED CN(C(=O)c1ccc(C#N)s1)[C@H]1CCCc2ccccc21 530671379 FDFYFBQJALFEQD-HNNXBMFYSA-N 296.395 3.769 30 20 CHED C=CCC1(C(=O)Nc2cccc([C@@H](C)C(=O)O)c2)CCC1 263342386 SHVJWLHYDMNPJM-GFCCVEGCSA-N 287.359 3.560 30 20 CHED CC(C)N(CCN[C@H]1CCCc2cc(C#N)ccc21)C(C)C 611390104 CHFLZMVCQJGEIZ-IBGZPJMESA-N 299.462 3.644 30 20 CHED C=CCC1(CNC(=O)N(C)CCCOC(C)C)CCCC1 455472067 ZQBNYNPHHAXIJA-UHFFFAOYSA-N 296.455 3.579 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1cccc(F)c1)C1CC1 458988843 OHPDDBPYHJAQOE-UHFFFAOYSA-N 290.382 3.712 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(C)ccc1F 537163861 GDALEPKGHZVWGA-UHFFFAOYSA-N 279.355 3.836 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CCC1CCCCC1 535846360 AWLJGATWCHAIDR-UHFFFAOYSA-N 285.391 3.899 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2nc(C)cs2)CCCC1 619110697 NQCNNKOIILPFIX-GFCCVEGCSA-N 278.421 3.560 30 20 CHED CC[C@@H](NC[C@H]1Cc2ccccc21)c1ccc(C#N)cc1 618567906 IIYYXRKMBUMUFR-IEBWSBKVSA-N 276.383 3.939 30 20 CHED C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@](C)(C#N)C1 612157780 DAAGNENXHVRZST-MLGOLLRUSA-N 294.345 3.975 30 20 CHED Cc1cncc(CNc2nc(C(C)(C)C)ccc2C#N)c1 613431048 LWAQSJNMJADOFB-UHFFFAOYSA-N 280.375 3.566 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 610713067 XWBLCRIDVILLLP-GOEBONIOSA-N 274.339 3.509 30 20 CHED Cc1c([C@@H](C)NCc2ccnc(C#N)c2)oc2ccccc12 612503481 DOOMYAVIBFCLMM-CYBMUJFWSA-N 291.354 3.859 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2ccc(F)cc21 618803172 GZSSXQULQBIEPG-MOPGFXCFSA-N 292.357 3.962 30 20 CHED CC(C)(C#N)CC(=O)N1CCCCC[C@@H]1c1ccco1 278373228 PSPQYOCUUZLLGT-CYBMUJFWSA-N 274.364 3.663 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccsc1 272311806 TYKQPFXLGSMQMX-GFCCVEGCSA-N 268.385 3.960 30 20 CHED CC(C)[C@H](C#N)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 271453158 QAXRGXGLUKCSJW-DOMZBBRYSA-N 292.810 3.573 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1cccc(C#N)c1 610348897 YIOTYPHOVCTORF-YSVLISHTSA-N 299.418 3.887 30 20 CHED N#CCC[C@H](NC(=O)N1CC2CCC1CC2)c1ccccc1 367428368 HMAYKFJKCFBXDY-PREGVCBESA-N 297.402 3.615 30 20 CHED Cc1c(C#N)c(=NCCCC(F)(F)F)[nH]c2ccccc12 450366283 TYDQHJZQNPWSGJ-UHFFFAOYSA-N 293.292 3.591 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2cccc(CC#N)c2)cc1 456763093 ZJUZYLRDJPMYEG-OAHLLOKOSA-N 292.382 3.878 30 20 CHED N#CCCCC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 360783664 SIASXHXAXRKXIE-AWEZNQCLSA-N 288.366 3.616 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1nc(C2CCC2)cs1 277551532 JKHXTIOHQUEAKX-HNNXBMFYSA-N 294.420 3.578 30 20 CHED C=C(C)CN(CC)Cc1cc(C)c(Br)cn1 628119510 XFTZUKXAJRUKTG-UHFFFAOYSA-N 283.213 3.551 30 20 CHED C=CCn1c(C)nnc1SCCC1=CCCCC1 450656308 YJHLAXNWYVYEPE-UHFFFAOYSA-N 263.410 3.755 30 20 CHED C=C(C)CCc1noc(C(C)(C)Cc2ccc(C#N)cc2)n1 453176408 FCZDOQUQHBEHGB-UHFFFAOYSA-N 295.386 3.970 30 20 CHED C=C(C)CCNC(=O)NCc1cccc(SCC)c1 454997987 KPQKGWSLDAFCSJ-UHFFFAOYSA-N 278.421 3.564 30 20 CHED CCC(CC)n1nccc1C(=O)Nc1cccc(CC#N)c1 456745519 HGHDDBMKRWNVQB-UHFFFAOYSA-N 296.374 3.563 30 20 CHED C=CCC1(NC(=O)CC[C@@H]2CC[C@@H](C)O2)CCCCC1 456371297 SKGQEMUVGMCDKR-CABCVRRESA-N 279.424 3.729 30 20 CHED CCO[C@@H](CC(=O)Nc1cc(C)cc(C#N)c1)C1=CCCC1 456957184 DITQBQLFJNQUGB-KRWDZBQOSA-N 298.386 3.711 30 20 CHED C=CCN(C(=O)[C@H](CC)OC1CCCC1)C(C)(C)C 622944026 AXYZNTKNGDQTIB-AWEZNQCLSA-N 267.413 3.537 30 20 CHED C=CCC1(NCC(=O)Nc2ccccc2C)CCCCC1 625936979 FIBHRFMQGLRTRY-UHFFFAOYSA-N 286.419 3.802 30 20 CHED C=CCCCC(=O)Nc1cnn(CCC(C)C)c1CC 277615463 QFTFBTCYKJZKNB-UHFFFAOYSA-N 277.412 3.786 30 20 CHED C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2CCCC(C)(C)C#N)C1 374074975 OWOGPKJDRDLHGO-NCOADZHNSA-N 292.467 3.578 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2c2ccccc2)C1 274581611 CPMFVHYYMQJMQN-BSWAZPDLSA-N 254.377 3.605 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 460374595 ILTBMMCIVPIGLU-LSDHHAIUSA-N 290.455 3.678 30 20 CHED N#Cc1cccc(NC/C=C\c2ccc(F)cc2F)c1 541769335 GBSLINRFRRNHJE-RQOWECAXSA-N 270.282 3.962 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCC[C@@H](SCC)C1 544055244 IFASYGJRUDWMTQ-MELADBBJSA-N 284.469 3.705 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1cccs1)C1CC1 281547978 ZSCHIUHSWFEYLG-LBPRGKRZSA-N 278.421 3.777 30 20 CHED N#CCOc1ccc(CN[C@H]2CCC[C@H]2CCCF)cc1 282855939 XVGRYTYSUILWJT-RDJZCZTQSA-N 290.382 3.597 30 20 CHED C=CC[C@H](C(=O)N(C)[C@@H]1CC[C@H](C)C1)c1ccccc1 464478693 GAWJSRVPLMIRAM-UAGQMJEPSA-N 271.404 3.993 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCC[C@@H]1CC 460381074 AYPYVOHLNCOGGO-AWEZNQCLSA-N 276.428 3.576 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)CCCc1ccccc1 466377728 GXLAGACNAJTESE-INIZCTEOSA-N 274.408 3.615 30 20 CHED COc1ccccc1[C@@]1(C)C[C@H]1Nc1cccc(F)c1C#N 462876306 DDZNIDUJICTFOB-QZTJIDSGSA-N 296.345 3.848 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(F)c(C#N)c1 284849656 JFUFOUNFQQLECJ-LBPRGKRZSA-N 288.366 3.738 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccc(C#N)cc1F 1126825705 OUSHQXKWKIVAMG-ZDUSSCGKSA-N 276.355 3.786 30 20 CHED COC(=O)c1cc(N[C@@H]2CCC[C@H](C#N)C2)cc(C)c1C 463239719 AEKCOLBZVZZSAF-UONOGXRCSA-N 286.375 3.584 30 20 CHED C=CCC[C@H](NC[C@H](C)CN1CCCC1)c1ccco1 556863286 XDTMNMROXVMDLT-HOTGVXAUSA-N 276.424 3.608 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](c2ccccc2F)C1 550210725 NAOKVNXCSTWJBQ-AWEZNQCLSA-N 274.383 3.945 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC(C)(C)c2ccccc21 288814856 BDQXRVSZGMZTDM-UHFFFAOYSA-N 294.354 3.788 30 20 CHED Cc1oc(C(C)C)cc1C(=O)NCc1ccc(C#N)cc1 285676324 ZODLOBLTIJXNTQ-UHFFFAOYSA-N 282.343 3.513 30 20 CHED CC#CCCCc1nc(-c2ccc3ncccc3c2)no1 558311042 KLFNWOHVTLOBIF-UHFFFAOYSA-N 277.327 3.631 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(N2CCCCCC2)cc1C 287328863 VTLKSJKVNDSEEE-OAHLLOKOSA-N 299.418 3.519 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C)c(Cl)c1F 468505166 CWSVUFSQQHLILB-UHFFFAOYSA-N 269.747 3.826 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nnc(C(C)C)n1C 554918250 DLBRFQAAKKXCGJ-UHFFFAOYSA-N 284.407 3.521 30 20 CHED C=CCCCCNC1CCC(C(=O)OC(C)(C)C)CC1 471602534 PCGSGARHHPXSAF-UHFFFAOYSA-N 281.440 3.833 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)Cc1ccc(C)cc1C 559677634 WMQZZGNRWJWIEE-OAHLLOKOSA-N 273.420 3.953 30 20 CHED Cc1ccc(F)c(NC(=S)NCC(C)(C)CCC#N)c1 806599150 YLUQMKADZYJUIN-UHFFFAOYSA-N 293.411 3.751 30 20 CHED N#Cc1cc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)ccn1 557685646 HAILHPUMKZKEGG-VBUUOAMHSA-N 289.382 3.868 30 20 CHED C#CCCCc1nc(-c2ccc(Cl)cc2Cl)no1 809469780 JJZSEOLNTREDAS-UHFFFAOYSA-N 281.142 3.999 30 20 CHED C=C(C)CN(C)C(=O)C1(c2ccccc2F)CCCC1 479282040 PRJCRUMRIWGQDH-UHFFFAOYSA-N 275.367 3.672 30 20 CHED CC[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 294513375 SQTKMMJYNZPELC-KXBFYZLASA-N 296.414 3.770 30 20 CHED C=CCC[C@@H](C)N[C@@H](CO)c1c(Cl)cccc1Cl 475638096 OCGALABPJJABOG-MFKMUULPSA-N 288.218 3.971 30 20 CHED C=CCC1(C(=O)N2CCOc3ccccc3C2)CCCC1 648879207 VGVCCUNENDJVKA-UHFFFAOYSA-N 285.387 3.544 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)CC(F)(F)F)s1 297826861 QHKVFGDJQBCLKT-UHFFFAOYSA-N 290.310 3.808 30 20 CHED C=CCCCCCNC(=O)Nc1nc(C2CC2)c(C)o1 566628753 UGDXAANHGAKFGA-UHFFFAOYSA-N 277.368 3.728 30 20 CHED C[C@@H]1CC[C@H](C=NNc2ccnc(Br)c2)C1 800816070 YXSVRJFPXKLIDB-ZJUUUORDSA-N 282.185 3.678 30 20 CHED CC[C@@H](OC(=O)CCCCCC#N)C(=O)c1ccccc1 805697807 HOBJIBPTOKZIBZ-OAHLLOKOSA-N 287.359 3.665 30 20 CHED CCN(CCn1ccc2cc(Cl)ccc21)C[C@@H](C)C#N 564384385 OLIZVHHURWWTCO-ZDUSSCGKSA-N 289.810 3.776 30 20 CHED CC[C@H](NC[C@H](O)C1CCCCC1)c1ccc(C#N)cc1 562593592 QFUGXXSDHDXIOJ-ROUUACIJSA-N 286.419 3.540 30 20 CHED C=CCCCCNC(=O)[C@H](c1ccccc1)N(CC)CC 471701534 IJHZLFSWURCMIA-KRWDZBQOSA-N 288.435 3.542 30 20 CHED C=CCCC1(C(=O)N2CC=C(C(C)(C)C)CC2)CC1 476450431 DTAHOMSPNCYEDY-UHFFFAOYSA-N 261.409 3.938 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@@H](CC)C1 806004211 OOVRDJUEOGJXPQ-CQSZACIVSA-N 252.402 3.564 30 20 CHED C=CCC1(NCc2csc(COC)n2)CCCCC1 648777348 FQPLUXLLGVJNFK-UHFFFAOYSA-N 280.437 3.658 30 20 CHED CC(C)[C@H](NCCC#N)c1ccc(C(F)(F)F)cc1 298781515 DDVIEODKSBHYJE-ZDUSSCGKSA-N 270.298 3.906 30 20 CHED C=CCCOCCCCC(=O)N1CCCCC(C)(C)C1 474102341 YYEGDMXKZXGKBE-UHFFFAOYSA-N 281.440 3.788 30 20 CHED Cc1nc(N[C@H](COCC(C)C)c2ccco2)ccc1C#N 291556127 BOVDJUUJUKHINK-OAHLLOKOSA-N 299.374 3.681 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC[C@H]2c2ccccc2)nc1 562047146 GYZSQXSRQNRQJM-OALUTQOASA-N 291.398 3.769 30 20 CHED N#Cc1nc(F)ccc1OCc1cccc(Cl)c1Cl 808046943 CAYPRXROBZPSQY-UHFFFAOYSA-N 297.116 3.978 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CC=CC[C@H]2C)cc1 568324041 OPROSARLGWCODG-XYPHTWIQSA-N 282.387 3.532 30 20 CHED Cc1nc(N2C[C@@H](c3ccccc3)C(C)(C)C2)ccc1C#N 487762299 YZCPSXMJYCIFQB-KRWDZBQOSA-N 291.398 3.892 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NOCC2CC2)C1 814243586 DWMPBRDNSNLDCH-AWEZNQCLSA-N 258.365 3.830 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC=C(c3ccccc3)C2)n1 561347949 YBZOBXQGVZVRJM-UHFFFAOYSA-N 289.382 3.864 30 20 CHED CC(C)(CNc1cc(C#N)ccn1)c1cccc(Cl)c1 561176473 RYORLQSMKDLBGH-UHFFFAOYSA-N 285.778 3.996 30 20 CHED FC(F)(F)[C@H]1CCCC(=NOC/C=C\Cl)C1 811668550 PRNMSBNHOYYVPY-UPEQJXEGSA-N 255.667 3.864 30 20 CHED Cc1cc(/C=C2\Cc3ccc(C#N)cc3C2=O)cnc1Cl 811694623 SBULWHASLRBIGQ-LHHJGKSTSA-N 294.741 3.738 30 20 CHED N#Cc1ccc(SC[C@H]2CCC[C@@H](O)C2)c(Cl)c1 488254763 RJIVGICEVGCAAJ-NWDGAFQWSA-N 281.808 3.855 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CC(C)(C)C#N 484664527 PXZBUVWYMISVNV-UHFFFAOYSA-N 299.201 3.892 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(C)c1Cl 488877500 KGSZCTALDWQPIH-GFCCVEGCSA-N 263.768 3.829 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(OC(C)C)cc1 811672125 QQTRVWOCDCNCRU-ZTNZKHEOSA-N 267.756 3.967 30 20 CHED CC(C)(C)c1nn(CC2=CCCCC2)c(O)c1CCC#N 577120556 YOZGRBPLPKGKHK-UHFFFAOYSA-N 287.407 3.843 30 20 CHED CC[C@H](NC[C@@H](C)CN1CCCCC1)c1ccc(C#N)cc1 572708173 WRNODFJFJZSGDF-APWZRJJASA-N 299.462 3.721 30 20 CHED C#CCOc1ccc(NC(=O)c2ccn(C(C)C)c2C)cc1 815522355 UYXYAVQESIMWCS-UHFFFAOYSA-N 296.370 3.642 30 20 CHED N#Cc1cc(C(=O)NCCC2=CCCCCC2)ccc1F 579742237 RMYJPGLYSVHWPA-UHFFFAOYSA-N 286.350 3.708 30 20 CHED C#Cc1ccccc1Cc1nc(-c2cc(C)cc(F)c2)no1 810279727 GUZMFVSOSOTLJW-UHFFFAOYSA-N 292.313 3.756 30 20 CHED C#C[C@@H](Nc1cc(Cl)nc(C)n1)c1ccc(Cl)cc1 811861899 QRQXUGYJQYYKAM-GFCCVEGCSA-N 292.169 3.878 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC1(CC)CCOCC1 657898600 FJXZMVMFJUMRCX-JKSUJKDBSA-N 265.441 3.918 30 20 CHED Clc1cccnc1NN=Cc1ccc2[nH]ccc2c1 811639324 WQSLGLPGAOPNTL-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CCC[C@@H](C)CC(=O)O[C@@H](C)c1cccc(C#N)c1 727635994 QJDPYZFBXUHZPS-OLZOCXBDSA-N 259.349 3.989 30 20 CHED CC#CCCCc1nc(Cc2nccc3ccccc23)no1 574943214 JZJVQEASZJWIOW-UHFFFAOYSA-N 291.354 3.555 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1c[nH]c2cccc(C)c12 488871154 USYWIBHTFDQDKV-HNNXBMFYSA-N 282.387 3.586 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 726532282 DKWRKONFDBOTSM-MRXNPFEDSA-N 295.386 3.516 30 20 CHED N#Cc1nccc(N[C@H](c2ccc(F)cc2)C2CCCC2)n1 579977485 DKAOIVNBFRUKCI-KRWDZBQOSA-N 296.349 3.831 30 20 CHED C=CCCCC[C@H](C)NCc1ccc([N+](=O)[O-])cc1 577522728 UUOAMOZSLCDAAH-ZDUSSCGKSA-N 262.353 3.819 30 20 CHED C#CCOc1ccc(NC(=O)N2CCC[C@H](CC=C)C2)cc1 820983424 RCICTTVYZSPKAO-HNNXBMFYSA-N 298.386 3.519 30 20 CHED C#CCN(C(=O)CCCC(=O)C(C)(C)C)C1CCCCC1 822834378 QZPLTLCUZGQPHE-UHFFFAOYSA-N 291.435 3.566 30 20 CHED C=CCC1(NCCCc2cnccc2C)CCCC1 827371380 SYFFDHWIMRIWQR-UHFFFAOYSA-N 258.409 3.801 30 20 CHED FC(F)SCc1ccc(C=NNC2CCCC2)o1 727652531 QRADMZMBVFTZDO-UHFFFAOYSA-N 274.336 3.602 30 20 CHED N#CC1(C(=O)OCC[C@H]2CC2(Cl)Cl)CCCCC1 820302162 SXLQWHSGEDOVSA-JTQLQIEISA-N 290.190 3.588 30 20 CHED CC#CCCNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 499000627 LRFAUULIJNQIEC-CMKODMSKSA-N 295.426 3.565 30 20 CHED C=CCCOC(=O)COc1ccc(C(C)C)c(C)c1 729073646 HUWPSCRECROYLR-UHFFFAOYSA-N 262.349 3.617 30 20 CHED C#C[C@H](NC(=O)N1CC2(CCCC2)c2ccccc21)C(C)C 821566951 ARLZEFFQHCFDRO-INIZCTEOSA-N 296.414 3.686 30 20 CHED Cc1ccc(-c2ccc([C@H]3C[C@@H](O)C3)cc2)c(C#N)c1 904781106 GBXOVQOSNFVSCJ-WOVMCDHWSA-N 263.340 3.772 30 20 CHED CN(c1cc(C#N)ncn1)C1c2ccccc2-c2ccccc21 580870857 NVCQAXYPAKKDEV-UHFFFAOYSA-N 298.349 3.554 30 20 CHED C=CCN(Cc1nc([C@H](C)OCC(C)C)no1)C(C)(C)C 661756618 STIASDZTQHRDJZ-ZDUSSCGKSA-N 295.427 3.590 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ncccc1CC 499632342 CPDZTBQNFDQXIM-UHFFFAOYSA-N 298.361 3.612 30 20 CHED C=CCCC(=O)NCC(c1ccccc1)c1ccccc1 588079133 NXKXAPCMHOXDFO-UHFFFAOYSA-N 279.383 3.901 30 20 CHED C=CCCC(=O)Nc1nc2c(C)ccc(C)c2s1 588018870 YLKFABOANOBCPP-UHFFFAOYSA-N 260.362 3.818 30 20 CHED CCCCC(CC)=NNS(=O)(=O)c1cc(C)ccc1C 732924340 RMYWZPLBULSAQN-UHFFFAOYSA-N 296.436 3.538 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C(=O)O)[C@@H](C)CC 903597742 OEYVUYQCOXGNQP-DZGCQCFKSA-N 267.413 3.554 30 20 CHED C=CCNC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 665113719 ZHSCBQSGJRQJLA-CQSZACIVSA-N 265.784 3.772 30 20 CHED Cc1cc(F)ccc1-c1ccc(C=NNc2ncccn2)o1 734298981 OFBIHACDEUICNR-UHFFFAOYSA-N 296.305 3.630 30 20 CHED C=C(Cl)CNC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 738477876 UVOWUEOLPNGGTO-KGLIPLIRSA-N 292.810 3.635 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC1CCC(CC(=O)O)CC1 902348948 AIKCLGRZMHVVIC-KNIAUWFNSA-N 279.424 3.744 30 20 CHED C=C(Cl)CSCCOCc1ccc(OC)cc1 731040472 UYADZSNLIJAVAG-UHFFFAOYSA-N 272.797 3.698 30 20 CHED CC#CCNC(=O)Nc1ncc(-c2ccc(C)cc2C)s1 583182524 WWQNIIKTZPTDNU-UHFFFAOYSA-N 299.399 3.572 30 20 CHED CCc1c(NC(=O)C#CC(C)(C)C)cnn1C(CC)CC 837574546 ZTVCJBCBFVGFFM-UHFFFAOYSA-N 289.423 3.795 30 20 CHED C=CC1CCN(C(=S)Nc2ccc(C)cc2C)CC1 731943451 ZTJPERFKJKZKGK-UHFFFAOYSA-N 274.433 3.898 30 20 CHED CC(C)c1ccoc1C(=O)N[C@H]1CCc2cc(C#N)ccc21 585748813 HHQBUXXIDKGIDI-INIZCTEOSA-N 294.354 3.692 30 20 CHED C=CCC1(C(=O)OC2C[C@@H](C)O[C@H](C)C2)CCCC1 835302814 SJILUJASQGTEOM-CHWSQXEVSA-N 266.381 3.622 30 20 CHED Cc1ccncc1[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 589342224 WHSKTNVNJPKXOG-ACJLOTCBSA-N 277.371 3.600 30 20 CHED C[C@@H]1CCCC1=NNc1cccc(C(F)(F)F)n1 739420754 AEOVOUWGBIHQGJ-MRVPVSSYSA-N 257.259 3.688 30 20 CHED CC[C@H](C)CC=Nn1c(S)nnc1-c1ccc(F)cc1 834937466 OFKCWWULTAXBKN-JTQLQIEISA-N 292.383 3.643 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 837158044 ZFSYXVDHKSFJQS-WOPDTQHZSA-N 259.340 3.529 30 20 CHED CC/C=C(\C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 731644798 BULDXTKJVSTKEI-ZQNFCJTASA-N 296.292 3.743 30 20 CHED C=CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccncc1 734234613 RTYUYYIFSREBOI-FVNWOWOISA-N 278.355 3.528 30 20 CHED CCN(C(=O)[C@H](C#N)CCc1ccccc1)[C@H](C)C(C)C 580961027 HPUKFDGQQRJYQR-WBVHZDCISA-N 286.419 3.652 30 20 CHED CCC(CC)N(C(=O)/C=C\c1ccccc1C#N)C1CC1 916052687 JRMUWXJSEMMWOW-XFXZXTDPSA-N 282.387 3.751 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(Cl)nc1C 836575606 NGIBMSKYPIYBKN-UHFFFAOYSA-N 281.787 3.767 30 20 CHED Cc1cccc(CCNC(=O)Nc2scc(C)c2C#N)c1 580614779 BUSJLJWEIGPKMI-UHFFFAOYSA-N 299.399 3.601 30 20 CHED CCCCCCCN1C(=O)CC2(CCCCC2)C1=O 915662472 FOMIZLTVNOXLIM-UHFFFAOYSA-N 265.397 3.666 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1cccc(F)c1 918154433 NGPHTUQEXPDPPZ-YRNVUSSQSA-N 272.250 3.624 30 20 CHED CCCCCCCOC(=O)[C@@H]1CC1(Cl)Cl 918493229 LNSRBDNCXGLVAY-VIFPVBQESA-N 253.169 3.694 30 20 CHED C=C(Cl)COC(=O)c1nc(-c2ccccc2)cs1 919121911 VNCBJJUGCZAHHQ-UHFFFAOYSA-N 279.748 3.719 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cnn(C2CCCC2)c1CC 839037578 DDMBBFYWDOCHBJ-CYBMUJFWSA-N 288.391 3.519 30 20 CHED CCCC[C@H](C(=O)N(CCC#N)Cc1ccco1)C(C)C 598896796 OUGHZGFFUAXLND-INIZCTEOSA-N 290.407 3.984 30 20 CHED N#Cc1ccc(CCSCc2noc3c2CCCC3)cc1 596340472 VBMWYAOHIUIWPT-UHFFFAOYSA-N 298.411 3.901 30 20 CHED CCCCCCCCC(=O)Nc1cccc(C)c1C(N)=O 916471972 WAZONKBHMCUHEA-UHFFFAOYSA-N 290.407 3.783 30 20 CHED C#CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)CC)cc1 741570933 UDUVCTVKZUHVNG-CRAIPNDOSA-N 299.414 3.739 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 744304045 ADLFVGJBOLWVED-GFCCVEGCSA-N 282.767 3.925 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(OC)c(O)c1 743450773 QCJKGVMVDPRGJW-ZDUSSCGKSA-N 278.396 3.683 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@](C)(c2ccccc2)CC1 672464106 MNPXDLJXODHIPC-YJBOKZPZSA-N 286.419 3.714 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(O)cc1 915051715 OGZMMCPNQUOVAU-UHFFFAOYSA-N 254.333 3.791 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1ccccn1)c1cccc(Cl)c1 744025770 NIVCSXIRCVLFPN-BXUZGUMPSA-N 284.746 3.715 30 20 CHED C#CCOc1cc(F)ccc1NCc1cccc2[nH]ccc12 742376580 YPDZDYNOQVJGIT-UHFFFAOYSA-N 294.329 3.931 30 20 CHED CCCCCCCCCNC(=O)NC[C@@H]1CCC[C@H](O)C1 745343181 RRPOWLFPSWDAEI-CVEARBPZSA-N 298.471 3.587 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)OCC(=O)c2ccc(C#N)cc2)C1 748270359 IULPEHBNKKSPBV-DZGCQCFKSA-N 299.370 3.501 30 20 CHED O=C(/C=C\c1ccsc1)c1cc(F)ccc1F 916134981 VMLFVZINJYPUHZ-RJRFIUFISA-N 250.269 3.922 30 20 CHED Cc1ccnc(NCCC[C@H]2CC2(Cl)Cl)c1C#N 845746451 LMZUYBJTIHVIPM-JTQLQIEISA-N 284.190 3.648 30 20 CHED CCc1ccc([C@H](C)NCCc2ccc(C#N)cc2)o1 595058231 ZVRLSQRBEZEJMC-ZDUSSCGKSA-N 268.360 3.607 30 20 CHED CC1(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 675436305 LODYQCAQLWIKRG-UHFFFAOYSA-N 281.380 3.887 30 20 CHED CCCc1ccccc1N=Cc1cccc(O)c1O 914773682 QTISAKCXVQMAOM-UHFFFAOYSA-N 255.317 3.801 30 20 CHED CCc1cnccc1[C@H](C)NC(=O)CC1(C#N)CCCCC1 597471703 ZKUPSXKHGSBTFU-AWEZNQCLSA-N 299.418 3.685 30 20 CHED N#Cc1ccc(CCNc2ccc([C@H]3CCOC3)cc2)cc1 594704181 DWZVJEAIGWNAGV-SFHVURJKSA-N 292.382 3.717 30 20 CHED C=C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 591062860 UDQKSTCPWQEHSR-UHFFFAOYSA-N 274.751 3.614 30 20 CHED CCC(Cc1ccccc1)=NNc1ccc(C#N)cc1 915961664 IVSQHDOVMZZXHY-UHFFFAOYSA-N 263.344 3.979 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1cccc(F)c1 918154432 NGPHTUQEXPDPPZ-XFFZJAGNSA-N 272.250 3.624 30 20 CHED C[C@@](C#N)(NC(=O)/C=C/C1CCCC1)C1CCCCC1 843567713 FNOPWXVQUXLPGS-FLVLSHQESA-N 274.408 3.712 30 20 CHED Cc1cc(C)c(C=NNc2ccc(C#N)cc2)c(C)c1 915961651 IOVWSMGZGJYUER-UHFFFAOYSA-N 263.344 3.930 30 20 CHED CC(=NNc1ccccc1)c1ccc(-n2ccnc2)cc1 916246041 VTEHAUVXDHBFGE-UHFFFAOYSA-N 276.343 3.708 30 20 CHED CCOc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2)cc1 916245038 PQWZVCSPGGVIQL-UHFFFAOYSA-N 299.330 3.830 30 20 CHED C=CCCOC(=O)c1cccc(-c2nc(C)cs2)c1 740407183 GWNBKDFAUROXQK-UHFFFAOYSA-N 273.357 3.851 30 20 CHED C=CCOCCCC(=O)OCc1c(C)cc(C)cc1C 744073598 DQTXPPOJVHOGEL-UHFFFAOYSA-N 276.376 3.638 30 20 CHED COc1cc(OC(=O)[C@@H]2CCC(C)=C(C)C2)ccc1C#N 843584720 BVGOBHACSBAXLW-CYBMUJFWSA-N 285.343 3.609 30 20 CHED C[C@@H](CCC#N)N1CCC2(C=Cc3ccccc3O2)CC1 595876847 DLLYEJGONXLGSE-HNNXBMFYSA-N 282.387 3.619 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842942242 HYRXNPIDBGUDJQ-JHJVBQTASA-N 288.416 3.879 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 594002457 VZASSGIOOFNKAH-GJZGRUSLSA-N 284.403 3.598 30 20 CHED C[C@H](Nc1cc(C(C)(C)C)ncn1)c1cccc(C#N)c1 596145795 XOQPFAWLBDFWIC-LBPRGKRZSA-N 280.375 3.819 30 20 CHED CCc1nc(C#N)cc(SC[C@H](C)c2ccccc2)n1 596224653 YATKVGKABADSRE-LBPRGKRZSA-N 283.400 3.806 30 20 CHED CCOc1ccc(C=NNc2oc(C(C)C)nc2C#N)cc1 745612454 XFSLKXYHWAPYPD-UHFFFAOYSA-N 298.346 3.514 30 20 CHED C=CC[C@H](N[C@H]1CCC[C@H](SC)C1)c1ccncc1 921746399 CIAAGFVHAVYEQZ-JYJNAYRXSA-N 276.449 3.963 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 749592877 ZQNURKFIVCKGHS-VURMDHGXSA-N 283.283 3.505 30 20 CHED Cc1ccc(N(Cc2cccs2)C(=O)[C@@H](C)C#N)cc1 746246168 YXILXZBLERPXGO-ZDUSSCGKSA-N 284.384 3.749 30 20 CHED C#CC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccccc1 846158447 YSTXHVNWIXWTIL-PBHICJAKSA-N 295.382 3.816 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cc(C)n(C)n1 841639825 VQYDJIDCHFDWQM-UHFFFAOYSA-N 270.380 3.606 30 20 CHED C#CC[C@H](/N=C/c1cc(OCC)ccc1O)c1ccccc1 756845714 GJGBJPAJCAWJJU-OFBHVFLISA-N 293.366 3.974 30 20 CHED C#CCCOC(=O)N1CCC[C@H](C)c2ccccc21 859104749 IFYYTDUWZRTIIK-ZDUSSCGKSA-N 257.333 3.550 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1cncc(Cl)n1 853290217 YMALIMKKMLXOFQ-SNVBAGLBSA-N 264.760 3.664 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(C)cc1O 920375230 UWASRKUHRAPBRK-UHFFFAOYSA-N 276.286 3.815 30 20 CHED C=CCCCC(=O)Nc1nc(C(C)C)c(C)s1 855234854 OIURIOMZSYUIKY-UHFFFAOYSA-N 252.383 3.870 30 20 CHED C=CC[C@H](C)NC(=O)/C(C)=C\c1ccccc1Cl 755903035 LOAYJXVCGBLKMW-WEHUKYGOSA-N 263.768 3.824 30 20 CHED C#CC[C@H](NC(=O)c1ccc(C(C)C)nc1)c1ccccc1 757618721 YLWDDLWDLQMJPH-SFHVURJKSA-N 292.382 3.699 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCOc2ccccc21)C(C)C 750336024 XOWIHWIRPRIFRO-OAHLLOKOSA-N 288.391 3.506 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Oc1ccc(C#N)cc1 920788722 OUFMBPWJCDBDCF-TZMCWYRMSA-N 257.333 3.680 30 20 CHED C#CCCCC(=O)N[C@H](CCCCC)C(C)(C)C 758367229 IMTUPOBPCPSOCT-CQSZACIVSA-N 251.414 3.901 30 20 CHED CCc1cccc(Cl)c1/C=C1\CCn2nccc2C1=O 853009169 GDZVHZPSIZIKTH-ZRDIBKRKSA-N 286.762 3.769 30 20 CHED CCCCOc1ccc(/C=C2\CCn3nccc3C2=O)cc1 853008826 ABCVFZZCQZLXCQ-FYWRMAATSA-N 296.370 3.732 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1ccccc1O[C@H](C)C#N 857603552 CZUMJFSLTRRAIO-WBMJQRKESA-N 292.354 3.834 30 20 CHED Cc1ncoc1-c1ccc(NC(=O)C#CC(C)(C)C)cc1 928820485 XLKBEUVDTVJCGC-UHFFFAOYSA-N 282.343 3.638 30 20 CHED CCn1nc(C)c(C=NNc2nccc3sccc23)c1C 755651103 RFVXAUYAVWEKFX-UHFFFAOYSA-N 299.403 3.576 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1/Cc2c(F)cccc2C1=O 921263398 CPMFRFXFKHXPDQ-YFHOEESVSA-N 284.334 3.669 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H](O)c2cccc3ccccc23)C1 850515624 GKUDVUZWYHQGNT-ALKREAHSSA-N 294.398 3.545 30 20 CHED C[C@H]1CN(C2CC2)CC1=NOc1ccccc1C(F)(F)F 754712790 TWMUFXBROLNICO-JTQLQIEISA-N 298.308 3.554 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(Cl)cs1 759203639 UAWCMPDWCBRTGT-UHFFFAOYSA-N 284.812 3.946 30 20 CHED Cc1ccccc1C(C)(C)C/N=C/c1ccc(O)c(O)c1O 750950442 VLEOPOJBTKEZMS-VXLYETTFSA-N 299.370 3.509 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)c(F)cc1OC 936030733 JSBKYAWTIDTFQS-SECBINFHSA-N 269.291 3.514 30 20 CHED N#CC1CCC(CNc2cccc(Br)n2)CC1 865757405 QLFIHDWOTITHOW-UHFFFAOYSA-N 294.196 3.586 30 20 CHED CCCn1cccc1C=NNCc1ccc(Cl)cc1 764718229 KVDSWNTVFCJDJY-UHFFFAOYSA-N 275.783 3.675 30 20 CHED CC(=NNc1ncnc2ccsc12)c1cccs1 764836080 SZKUSCPRNFRDMV-UHFFFAOYSA-N 274.374 3.589 30 20 CHED Cc1cc(C=NNc2ncccc2Cl)c(C)s1 760254355 UBMZFVSYFYTPFB-UHFFFAOYSA-N 265.769 3.859 30 20 CHED C=C[C@H](CC)CC(=O)N(CCC#N)c1ccc(C)cc1 930979616 MXNSWMJCGQDVDY-OAHLLOKOSA-N 270.376 3.844 30 20 CHED CCCCCCCC(=O)NCC1(CCO)CCCCC1 761706206 KTISJARKHMBFSG-UHFFFAOYSA-N 283.456 3.796 30 20 CHED C=CCOc1ccc(COC(=O)[C@H]2CC=CCC2)cc1 763641366 WYQXCLDKHHOAGW-HNNXBMFYSA-N 272.344 3.651 30 20 CHED Fc1cnc(NN=C2CCCC[C@@H]2c2ccccc2)nc1 760248409 YVCVIEYNBFHUQZ-CQSZACIVSA-N 284.338 3.741 30 20 CHED C#C[C@H](OC(=O)CCC(C)(F)F)c1ccc(C)cc1 860965599 NIRBRXFRZPABST-ZDUSSCGKSA-N 266.287 3.648 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H]2CC[C@@H](SC)C2)cc1 766220588 CSBUQJKMUPSVQJ-YSVLISHTSA-N 289.444 3.633 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1scnc1C1CC1 762696719 BWOPXSZISITTLA-FPLPWBNLSA-N 295.367 3.544 30 20 CHED Cc1c(C(=O)/C=C\c2cncs2)cnn1-c1ccccc1 767721736 NRCXVOZEQMHJSZ-FPLPWBNLSA-N 295.367 3.533 30 20 CHED Cc1cccc(F)c1NN=C1CCC(=O)Nc2ccccc21 769827797 LPPKYVGEQIOAAZ-UHFFFAOYSA-N 297.333 3.683 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)c1ccccc1O 879649589 WWJBAYVTWHDELZ-CYBMUJFWSA-N 260.381 3.763 30 20 CHED CS[C@@H]1CCC[C@H](N[C@H](C)c2cccc(C#N)c2)C1 245933657 SWBKHARZPMUKLB-UHOFOFEASA-N 274.433 3.883 30 20 CHED Cc1ccccc1CCC(=O)O[C@H](C#N)C1CCCCC1 776383059 HHDOXRUOLJIZMQ-QGZVFWFLSA-N 285.387 3.943 30 20 CHED c1ccc([C@H]2CCCCC2=NN=c2cc[nH]cc2)cc1 779808047 BOXRRGDBNCKREQ-MRXNPFEDSA-N 265.360 3.629 30 20 CHED CCOc1cccc(NC2CC(C#N)(c3ccccc3)C2)n1 1118943197 YXPVXDBWUKJBDZ-UHFFFAOYSA-N 293.370 3.516 30 20 CHED C#CCCCCN[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 877087755 RFRINTZBSKYJLG-QUCCMNQESA-N 296.458 3.748 30 20 CHED Cc1ccc([C@H](C)C(=O)O[C@H](C#N)C2CCCCC2)o1 776390587 GMAMSDOKTZVFMD-SWLSCSKDSA-N 275.348 3.707 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1nc2ccccc2s1 877045970 HNINZTFKRLCGDE-NWDGAFQWSA-N 273.405 3.887 30 20 CHED CC(=NNc1nc2ccccc2s1)[C@H]1CCCOC1 779755219 XPRLGITXDROQOD-NSHDSACASA-N 275.377 3.511 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1ccc(C(C)=O)cc1 776205485 YSENEECLAWDBTK-GFCCVEGCSA-N 290.432 3.920 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(Cl)cn1 774373858 APLRUFWABYOJOT-UHFFFAOYSA-N 263.703 3.710 30 20 CHED S=C(NN=Cc1cscc1Cl)Nc1ccccc1 771872244 PZBPIAFATBVTDU-UHFFFAOYSA-N 295.820 3.722 30 20 CHED CCNc1ccc(C#N)cc1NCc1cc(F)ccc1F 776849393 KOJJRKFEIPZCIS-UHFFFAOYSA-N 287.313 3.880 30 20 CHED C=CCC[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)C1CC1 777610466 LCZOJRUOEIMECY-LJQANCHMSA-N 299.462 3.595 30 20 CHED CC(=O)[C@@](C#N)(CCN1C[C@H](C)CC1(C)C)c1ccccc1 878158504 IFTSUDAFYNCRMY-BEFAXECRSA-N 298.430 3.547 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1scnc1C 773126555 UMUJTXHFGROOKD-GFCCVEGCSA-N 265.426 3.734 30 20 CHED N#Cc1ccc(NC(=O)N2CCC3(CCCCC3)CC2)nc1 889223767 LJKATKWRHPIXQC-UHFFFAOYSA-N 298.390 3.531 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2c(C)cccc2o1 1121159966 BIMUOBOYZNWTJT-LBPRGKRZSA-N 270.332 3.506 30 20 CHED C=CCCCCCOC(=O)C[C@H]1CCO[C@@H](CC)C1 784648842 NDWXYHIHLSLINO-GJZGRUSLSA-N 268.397 3.871 30 20 CHED CC(Cn1nc(C)cc1C)=NOC[C@H]1CCC[C@H](C)C1 781613330 ZTYZVJOZUNSQRN-LRDDRELGSA-N 277.412 3.719 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C1 888363318 KMCMFIYQIDSUPI-GFCCVEGCSA-N 289.354 3.597 30 20 CHED CCCCCCC=NNc1nnc(-c2ccccn2)s1 788026961 IGDNPESJIYLHJQ-UHFFFAOYSA-N 289.408 3.968 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)c1ncccc1C)c1ccccc1 1120741386 MZALIRUIUGYUDA-HZPDHXFCSA-N 294.398 3.927 30 20 CHED CC(C)(C#N)CCCOC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 782051550 BTBXOLPPIGHBDX-IHRRRGAJSA-N 263.381 3.686 30 20 CHED CC#CCCOC(=O)c1cccc(-c2csc(C)n2)c1 782147904 VYWXRCYCUQMUFQ-UHFFFAOYSA-N 285.368 3.689 30 20 CHED COc1ccc(NN=Cc2sccc2Cl)cc1 782253421 GBCREULONNZAPV-UHFFFAOYSA-N 266.753 3.856 30 20 CHED CCCCCCCCCN(C)Cc1cnc2n1CCOC2 891771047 OKLPCVJGJPYAIE-UHFFFAOYSA-N 293.455 3.596 30 20 CHED N#CCC1(OC(=O)/C=C/c2nc3ccccc3s2)CCC1 788134969 VKBYDXLQOOVKBS-VOTSOKGWSA-N 298.367 3.689 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(Cl)c2F)s1 786300745 VAOVQDFLLCGCNK-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1cnc2ccccc2c1 786374403 NWTKOTRLKKKNCL-LBPRGKRZSA-N 282.343 3.779 30 20 CHED C=C(C)CCC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 1120660371 PHLQLLFADBSDGO-SFHVURJKSA-N 299.414 3.723 30 20 CHED C#Cc1cncc(-c2noc([C@@H](C)OCCCCCC)n2)c1 896556067 MZWKMPMUUYXHDZ-CYBMUJFWSA-N 299.374 3.771 30 20 CHED Cc1ccc(C)c(SCc2cc(C#N)ccn2)c1 1472931228 UXBUOSKNHASXIW-UHFFFAOYSA-N 254.358 3.862 30 20 CHED N#Cc1cccc2c1CCN2Cc1cccc(Cl)c1F 1473569043 VGCIRGAMMLHFGD-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CCc1onc(C)c1/C=C1/CCc2c(OC)cccc2C1=O 899370730 KSKIOPDEAXSDKM-BENRWUELSA-N 297.354 3.767 30 20 CHED CC(C)CN(C(=O)[C@H](F)C(C)C)c1ccc(C#N)cc1 784046334 CKDZLMIDHITGDW-OAHLLOKOSA-N 276.355 3.541 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(Cl)cc2F)cc1 781131290 GJAGLYJTEPTPMP-UHFFFAOYSA-N 289.693 3.708 30 20 CHED N#CCc1ccc(Cn2ccc(-c3ccc(C#N)cc3)n2)cc1 784054610 XUKVMIYWKZCBQF-UHFFFAOYSA-N 298.349 3.536 30 20 CHED N#CC1(CC(=O)Nc2ccnc(Cl)c2F)CCCCC1 891515821 PSLPZDBXOPYDQM-UHFFFAOYSA-N 295.745 3.677 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccnn2C(C)C)cc1C 794925684 CPMMIHUIHKJKQP-FPLPWBNLSA-N 268.360 3.977 30 20 CHED CCC[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 189584477 MCZREIZMTIWVLM-QGZVFWFLSA-N 267.376 3.528 30 20 CHED C#C[C@H](CCC)NC(=O)C1(c2cccs2)CCCCC1 791740563 IUPZVKMACIZMPD-CQSZACIVSA-N 289.444 3.868 30 20 CHED Cc1c(C(=O)O[C@@H](C)CC#N)sc2ccc(C#N)cc12 796881697 IROORRXHMJIDQN-VIFPVBQESA-N 284.340 3.540 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 791058045 ALYBHDXYTZRTCS-FUHWJXTLSA-N 298.430 3.952 30 20 CHED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(C)(C)C#N 796783037 GPMOHKCDMWYMBQ-ZFWWWQNUSA-N 284.359 3.555 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)c1ccc(C(C)(C)C)cc1 795471187 XLFCTRPHFIFNQZ-KRWDZBQOSA-N 272.392 3.887 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(OC(F)F)c(F)c2)C1 799721404 FDGNHOXGPGBLGF-RKDXNWHRSA-N 270.254 3.531 30 20 CHED C=CCCC(C)(C)NCc1ccc(OC)c(OC)c1 657804769 CZGFHGRKYPHJGB-UHFFFAOYSA-N 263.381 3.538 30 20 CHED CCC(CC)OC(=O)C[C@@H](CC#N)c1ccccc1 795981566 NOJRLNIXUWCMNV-CQSZACIVSA-N 259.349 3.806 30 20 CHED C=CC[C@@H](NC(=O)N(CC)CC1CCC1)c1ccncc1 793030419 UZAXLAHQQPNCDS-MRXNPFEDSA-N 287.407 3.530 30 20 CHED C#C[C@H](NC(=O)CCc1ccc(C(C)C)cc1)C(C)C 799044402 MNTFFJANGSJLMB-KRWDZBQOSA-N 271.404 3.517 30 20 CHED CCCCCCCN1CCCC2(CCOCC2)C1 741801590 DJRQGCIKRGGEAV-UHFFFAOYSA-N 253.430 3.849 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1 767049638 FRGPJBYOYVCABI-UHFFFAOYSA-N 257.377 3.972 30 20 CHED CSc1ccccc1[C@@H](C)Nc1cc(C#N)nc(C)n1 882313606 XHVAFFAAVIUGRX-SNVBAGLBSA-N 284.388 3.552 30 20 CHED Cc1ccc(F)cc1-c1nnc(-c2cccc(C#N)c2)o1 1322412114 UANIJTASJUPXRP-UHFFFAOYSA-N 279.274 3.723 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(Cl)nc2)ccc1F 1320250238 XJAXCYLTGLACLD-ZZXKWVIFSA-N 291.709 3.779 30 20 CHED C=C[C@@H](COC)NCC1CCC(c2ccccc2)CC1 1323732994 YNUQNVWXRRMZKE-VJFUWPCTSA-N 273.420 3.751 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC(C1CC1)C1CC1 1326170197 NVRNSJNHYCHZAB-ZDUSSCGKSA-N 296.414 3.904 30 20 CHED Cc1cc(C(=O)OCC2(CC#N)CC2)c2c(c1)[C@H](C)CCN2 1327160729 JYJYMTIVNUHMLH-CYBMUJFWSA-N 298.386 3.765 30 20 CHED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1cccnc1 1330282373 DLFSQKTZJDNJPR-ZDUSSCGKSA-N 272.348 3.550 30 20 CHED C=C(CNc1ncccc1Br)c1ccccc1 1186639612 KIGKOFDXFUFNRN-UHFFFAOYSA-N 289.176 3.969 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H](C)c1c(C)noc1C 1337489286 SKLJHQQRHMQBDJ-IUODEOHRSA-N 290.407 3.742 30 20 CHED COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1F 1331307126 SZTMFIJYUVBFKS-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=C1CCC(C(=O)NCCCCN2CCCC[C@H]2C)CC1 1334734389 GPNLWMLZNSELKX-MRXNPFEDSA-N 292.467 3.504 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1ccc(C#N)cc1F 1264051146 PJTSBHZFHJLLSV-UHFFFAOYSA-N 294.329 3.599 30 20 CHED CC[C@H](NC(=O)c1csc(C#N)c1)c1ccccc1 1276188964 CCCHHOFOZOHXIZ-AWEZNQCLSA-N 270.357 3.501 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccccc1CC#N 1445335565 XMVIRHFKFWXJNA-BBRMVZONSA-N 284.403 3.697 30 20 CHED C=C(C)C(C)(C)C(=O)OCCC(F)(F)C(F)(F)F 1519990456 SXWOZRHRGXVHEF-UHFFFAOYSA-N 274.229 3.720 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2scnc2c1 1519632003 RTFFTQNMTFOKOL-SNVBAGLBSA-N 288.372 3.781 30 20 CHED CC(C)c1cccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1 1516861605 XCVWGOVLXYXYFG-DOMZBBRYSA-N 257.333 3.659 30 20 CHED Cc1oc(C(C)C)nc1C(=O)O[C@@H](CC#N)c1ccco1 1526992893 OTRPRWWUVJDZPO-LBPRGKRZSA-N 288.303 3.511 30 20 CHED C[C@H]1C[C@H](CCNc2cc(C#N)ncn2)CC(C)(C)C1 1458358896 KMZYJWOKYUECDU-STQMWFEESA-N 272.396 3.613 30 20 CHED N#Cc1ccc([C@H](Sc2cccc(F)c2)C(=O)O)cc1 1601099299 LQVWJLGICAHBTP-AWEZNQCLSA-N 287.315 3.615 30 20 CHED N#Cc1cc(F)cc(NC(=O)CCCc2ccccc2)c1 1535371426 FASKWCJGOGNTDW-UHFFFAOYSA-N 282.318 3.659 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1cc(C#N)ccc1F 1539606316 XHQYVTQXCMBBJK-KRWDZBQOSA-N 294.329 3.804 30 20 CHED CC[C@H]1CCCCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1544114850 KVJJJSMYGJCCLQ-MSOLQXFVSA-N 298.430 3.940 30 20 CHED CC(C)c1cnc(SCc2cn3ccccc3c2C#N)[nH]1 1614728350 DHYLMHGXIHZHKT-UHFFFAOYSA-N 296.399 3.950 30 20 CHED CCc1nc(C#N)cc(N(C)C[C@H](C)C2CCCCC2)n1 1559255216 LOZNKBYCCVVBNT-ZDUSSCGKSA-N 286.423 3.563 30 20 CHED C[C@H]1[C@@H](Cc2ccccc2)CCN1CC1(CC#N)CC1 1559589600 DPAACJYHTHRJQF-DOTOQJQBSA-N 268.404 3.633 30 20 CHED Cc1nc(S[C@H]2CCOc3ccccc32)ccc1C#N 1639614752 WWDQWVQBQFZKID-HNNXBMFYSA-N 282.368 3.878 30 20 CHED C=C(CNC(=O)NC1[C@H](C)CCC[C@H]1C)c1ccccc1 1635923529 NUTXBDHFWYYXNX-ZIAGYGMSSA-N 286.419 3.824 30 20 CHED Cc1ccc(C[C@H](C)Nc2cc(C)c(C#N)cn2)s1 1642288414 AOONPSBLPHMNCP-NSHDSACASA-N 271.389 3.675 30 20 CHED Cc1cccc(C2=CCN(c3ccc(C#N)cn3)CC2)c1C 1640516809 BWAHAVXFPQYQGB-UHFFFAOYSA-N 289.382 3.864 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCc2c(F)cccc21 1654061257 XUFNCVQOGPGVCK-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C#Cc1cccc(CN[C@@H]2CCC[C@H](CCCC(=O)O)C2)c1 1588522299 OJCGDFACDWUCGX-SJLPKXTDSA-N 299.414 3.571 30 20 CHED C[C@@H](CC#N)N(C)[C@@H](C)c1nccc2ccccc12 1658955930 ODPRKFPRRNMBDG-STQMWFEESA-N 253.349 3.530 30 20 CHED C=C[C@H](N[C@@H](c1ccc(CC(C)C)cc1)C1CC1)C(=O)O 1588697350 UCZUAXSODGVSET-IRXDYDNUSA-N 287.403 3.565 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)c1cc(C)oc1C 1589016435 MWYIRQJEDCUJFQ-UHFFFAOYSA-N 290.294 3.570 30 20 CHED Cc1ccc(CCN[C@@H]2CCc3cc(C#N)ccc32)cc1 1664568106 XHFHCKIZTHQCEG-LJQANCHMSA-N 276.383 3.686 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCC[C@H](C)C2)c1 1672775953 VLSWQAWUPZODOH-JSGCOSHPSA-N 285.391 3.815 30 20 CHED C[C@H]1CCCC(=NNc2ccccc2C(=O)O)CC1 1776031140 OPRYDCNAEHJODX-NSHDSACASA-N 260.337 3.753 30 20 CHED Cc1cc(C)cc(CC=NNc2ccccc2C(=O)O)c1 1776031221 TZDGEPWRKYZNHP-UHFFFAOYSA-N 282.343 3.642 30 20 CHED C#CCCCNc1cc(C)ccc1Br 161059936 MVTCFXLLUOVLOW-UHFFFAOYSA-N 252.155 3.583 30 20 CHED N#Cc1ccc(SC[C@H]2CCCCO2)c(Cl)c1 163313608 KQOUFOUYKMCWNS-LLVKDONJSA-N 267.781 3.873 30 20 CHED CC1(C)CN(C[C@@H](C#N)CCC#N)c2cccc(Cl)c21 163761328 OBBYIFRCOKMMTN-GFCCVEGCSA-N 287.794 3.881 30 20 CHED C[C@H](CC#N)N(C)Cc1nc2cc(C(F)(F)F)ccc2o1 151853202 JXBSUINZUTXMAI-SECBINFHSA-N 297.280 3.581 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1oc2ccccc2c1C 153961628 DPAOVZNWGWGQSG-GFCCVEGCSA-N 272.348 3.630 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1cc(F)ccc1F 157647666 GOPQSYPYGDCZPV-MNOVXSKESA-N 252.308 3.507 30 20 CHED C=CCN(C)C(=O)NCc1ccc(Oc2ccccc2)cc1 154334037 BVLNXEWSAPKZHW-UHFFFAOYSA-N 296.370 3.806 30 20 CHED CC(C)c1ccccc1NC(=O)N1CCC[C@@H](C#N)C1 902917730 VLLVSFZVEVEVII-ZDUSSCGKSA-N 271.364 3.577 30 20 CHED N#Cc1ccc(CNc2cccc3cccnc23)s1 155384278 MQYJTKKEPZSPCE-UHFFFAOYSA-N 265.341 3.780 30 20 CHED N#Cc1cccc(CNc2ccc(C(F)(F)F)nc2)c1 160068860 MUGOQLNOTWEZDR-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C=CC[C@H](C)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 163307900 KISRBFLAKLNBCF-WFASDCNBSA-N 262.353 3.990 30 20 CHED C[C@H](CCC#N)N1CCC(CN(C)Cc2ccccc2)CC1 276319291 OKEYPWGJCATRIB-QGZVFWFLSA-N 299.462 3.523 30 20 CHED Cc1nc(N2CCC[C@@H](C(C)C)C2)c(Cl)cc1C#N 461965895 ZIQLGRAPIVMEOV-GFCCVEGCSA-N 277.799 3.788 30 20 CHED CCCCCS[C@@H](C)C(=O)Nc1cccc(C#N)c1 180720235 AVOPNXMXMKTBDA-LBPRGKRZSA-N 276.405 3.809 30 20 CHED CC[C@H](CC#N)NC(=O)CCSc1ccc(Cl)cc1 183874318 VVKWRCJGIGYTBE-GFCCVEGCSA-N 296.823 3.631 30 20 CHED C[C@@H]1CCCC[C@]1(C)NCc1cccc(C#N)c1F 308697151 GDYCNCVASOJBMS-WBMJQRKESA-N 260.356 3.756 30 20 CHED CN(CCC1CCCCC1)Cc1cccc(C#N)c1 311360705 BFKTUJVTTIWIBU-UHFFFAOYSA-N 256.393 3.960 30 20 CHED C=CCCCCN1CCC[C@@H]([C@@H]2CCCCO2)C1 661874230 IZPFUQHWMSQEJW-CVEARBPZSA-N 251.414 3.624 30 20 CHED Cc1cc(C)cc(C[S@](=O)Cc2cccc(C#N)c2)c1 94721157 LIZNZYZSRXRBDT-FQEVSTJZSA-N 283.396 3.624 30 20 CHED C=CCCCCCCN[C@@H]1CCCc2c1cnn2C 382375209 NOYHEZIQYSNOLU-OAHLLOKOSA-N 261.413 3.524 30 20 CHED CCCCCCCC(=O)NC[C@H](C)CN1CCCCC1 105387403 DKFHWXUJPXWTHR-INIZCTEOSA-N 282.472 3.585 30 20 CHED N/C(=N/OCc1cccc(Cl)c1)c1cccc(Cl)c1 105033005 YTSALIKPLVBPJA-UHFFFAOYSA-N 295.169 3.831 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2cc(F)ccc2F)c1 59270195 DWTDXEUDLXBMMU-QPJJXVBHSA-N 269.250 3.733 30 20 CHED N#Cc1nccnc1Sc1cc(Cl)ccc1Cl 54380473 MLOJCGHOVLWTBC-UHFFFAOYSA-N 282.155 3.806 30 20 CHED CC[C@@H](Nc1cc(C)nc(C#N)c1)c1ccccc1 308281589 VQLPUZZOVCXATH-MRXNPFEDSA-N 251.333 3.825 30 20 CHED CCCCCCCOC(=O)c1cccc(C(=O)N(C)C)c1 103220706 OJNGRKXQYHEOML-UHFFFAOYSA-N 291.391 3.516 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NC(=O)C2(C#N)CCCCC2)c1 172755641 CXJAHXHMFGUJPV-MRXNPFEDSA-N 298.430 3.825 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@H](C)C1CCCCC1 101516664 JDEAMTJJDBZZGT-XJKSGUPXSA-N 264.413 3.647 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)CC1CCCCC1 114322747 UFUBLJZMFZUFNK-CJNGLKHVSA-N 264.413 3.647 30 20 CHED CC(C)(C(=O)Nc1ccc(OCC#N)cc1)c1ccccc1 25465884 MUPTVNPGKNVCOG-UHFFFAOYSA-N 294.354 3.505 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1c(F)cc(F)cc1F 178639057 OBOYGMZUDAQLRR-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC[C@H]1CCCCO1 110180507 SBGLVTZNFHXLDM-CQSZACIVSA-N 293.432 3.612 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1cccc(Cl)c1 114757290 XBNNDSWQVZRGLB-VIFPVBQESA-N 255.770 3.586 30 20 CHED C#CCOC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 69535181 YUPDPGRWWTYLQO-UHFFFAOYSA-N 286.352 3.522 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H](c2ccccc2)O1 63581211 WVZHXDLYXNYGBD-KXBFYZLASA-N 292.382 3.520 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2ccccc2)s1 175995933 YZNPZMHWHITDIR-GFCCVEGCSA-N 271.341 3.874 30 20 CHED C[C@H](NCCCSCC#N)c1ccccc1Cl 174111246 WRQRVFCOLQVTQD-NSHDSACASA-N 268.813 3.637 30 20 CHED CC1(C)CCC[C@H]1Nc1ncc(Br)cc1C#N 310372955 OLXJIDWYGCVKBF-LLVKDONJSA-N 294.196 3.706 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CCCc2cccs2)C1 116806587 SJKLDCSWNIANRS-CJNGLKHVSA-N 290.432 3.659 30 20 CHED C=C(C)CSCc1nc([C@@H](C)OCC(C)C)no1 174254388 PTSASAIDDXLSCX-LLVKDONJSA-N 270.398 3.613 30 20 CHED Cc1nc(SCc2ccco2)c(Cl)cc1C#N 310411223 OYDDRKBQNRZSPV-UHFFFAOYSA-N 264.737 3.800 30 20 CHED CCCCCCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 116811741 BYAVLASUQPWNGE-HIFRSBDPSA-N 250.386 3.545 30 20 CHED C=CCc1cc(CN(C(C)C)C2CC2)c(O)c(OC)c1 178852276 BLMLBPPSHUACOT-UHFFFAOYSA-N 275.392 3.502 30 20 CHED CCCC(CCC)NCc1ccc(OCC#N)cc1 177305201 VQEJKLGRKDBFMX-UHFFFAOYSA-N 260.381 3.647 30 20 CHED C#Cc1cccc(NC(=O)c2cc3cc(F)ccc3o2)c1 117589585 XXCSAJDGUOPFEL-UHFFFAOYSA-N 279.270 3.806 30 20 CHED N#Cc1cccc(NC(=O)c2cccn2C2CCCC2)c1 179903876 UOXYNABLLYNOSP-UHFFFAOYSA-N 279.343 3.727 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 302887839 OCTMBECTXBBLRU-ZHALLVOQSA-N 285.350 3.570 30 20 CHED Cc1ccc(-c2noc(-c3cccc(CC#N)c3)n2)cc1F 171789223 INSYDDCRRRUDDK-UHFFFAOYSA-N 293.301 3.917 30 20 CHED C=CC1CCN(c2ccnc3c(OC)cccc23)CC1 302499700 CINXNWVQLYRCFY-UHFFFAOYSA-N 268.360 3.646 30 20 CHED C#CCCCN[C@@H](CC)c1ccc(OCC)c(OCC)c1 178061183 BDYPCFJBZJQFIS-INIZCTEOSA-N 289.419 3.938 30 20 CHED C=C(Br)CNC(=O)C[C@H](CC)c1ccccc1 171533969 PIEVTYNXGOPTHA-LBPRGKRZSA-N 296.208 3.595 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccccc1OC 60677762 RXXDFYACOSMBMQ-UHFFFAOYSA-N 287.384 3.585 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCCC[C@H]1OC(F)F 409523095 RRKSKPFKFHQNGI-CHWSQXEVSA-N 284.281 3.660 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 426141488 SHXTXZRHVWHEKE-JQWIXIFHSA-N 291.782 3.912 30 20 CHED N#Cc1cccc(NCCc2ccc(C(F)(F)F)cc2)n1 301298910 ZKYUYTHRFPSYEE-UHFFFAOYSA-N 291.276 3.627 30 20 CHED N#Cc1cc(F)cc(NCc2cnc(C3CC3)s2)c1 601063975 KNFKOMBLNURXQH-UHFFFAOYSA-N 273.336 3.643 30 20 CHED CC(C)CCN(C(=O)Nc1cccc(C#N)c1)C1CC1 43329371 FUFKGHAATLATNU-UHFFFAOYSA-N 271.364 3.601 30 20 CHED C=CCN(CC=C)C(=O)CS[C@@H](C)c1ccccc1F 121982788 GEWAWYUFIJXCAI-ZDUSSCGKSA-N 293.407 3.821 30 20 CHED C=CCC[C@H](N[C@H](C)C[C@@H](O)c1ccc(F)cc1)C1CC1 121020467 ILBWISXXWXJTQQ-JEBQAFNWSA-N 291.410 3.972 30 20 CHED CC(C)(C)[C@@H](Nc1ccc(C#N)nn1)c1ccc(F)cc1 301913404 CNIRNOWBKZRKFM-HNNXBMFYSA-N 284.338 3.687 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(C#N)c1 122016072 TVRKCIGATHLQKS-UHFFFAOYSA-N 274.751 3.919 30 20 CHED CCCOc1cccc(NCc2ccc(OC)c(C#N)c2)c1 124960663 ZSXOYBLALOAIBU-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 74918382 PMFRTXGTTVHBAN-HOCLYGCPSA-N 299.418 3.697 30 20 CHED C=C(C)CN(C)CC(=O)Nc1c(C)cccc1C(C)C 181310287 JLUGYYFUGOVCSO-UHFFFAOYSA-N 274.408 3.565 30 20 CHED C=C(C)CSCc1noc(-c2ccsc2)n1 79369400 PYIAAKUZVGXXHE-UHFFFAOYSA-N 252.364 3.607 30 20 CHED N#Cc1ccc(CNc2ccccc2N2CCCCC2)o1 127083057 RBKHWEDSCUIMIW-UHFFFAOYSA-N 281.359 3.754 30 20 CHED C=C(C)CN(C)C(=O)c1csc(-c2cccs2)n1 180381132 BOJTXMXQVBBITL-UHFFFAOYSA-N 278.402 3.520 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(C#N)c(F)c1 483963297 QMWVRMQPYUFQMV-HACGYAERSA-N 272.367 3.850 30 20 CHED C=CCC[C@H](C(=O)N(C)Cc1cccnc1)c1ccccc1 187461338 WVJHQFNUTWHKRD-SFHVURJKSA-N 294.398 3.790 30 20 CHED C=CC1CCN(C(=O)c2cc(C)nn2C(CC)CC)CC1 180639384 OQOIOQOXPYFMEA-UHFFFAOYSA-N 289.423 3.591 30 20 CHED CC(C)(C#N)CCCOc1cccc(-n2ccccc2=O)c1 419059744 YEMPBNWLSZUIBI-UHFFFAOYSA-N 296.370 3.546 30 20 CHED N#CCCCN1CCCC[C@@H]1c1nc2ccccc2o1 363865093 XKVQHZIJBITTQZ-CQSZACIVSA-N 269.348 3.659 30 20 CHED CCCCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 505504976 CVWREOXSPHHDEP-LLVKDONJSA-N 285.174 3.864 30 20 CHED Cc1cc(NCc2cc(C#N)cs2)cnc1Cl 181853135 QQYDAKMXYIKOQV-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2ncco2)cc1 189084940 RGQBQVKUPXTMHZ-INIZCTEOSA-N 270.332 3.882 30 20 CHED Cc1ccccc1CNC(=O)c1cccc(SCC#N)c1 79386870 VHCYBRNQIIWSEY-UHFFFAOYSA-N 296.395 3.541 30 20 CHED C#C[C@H](C)NC(=O)N1CCC[C@@H]1c1cccc2ccccc12 186013398 HCYFGUHKBPLERX-KBXCAEBGSA-N 292.382 3.708 30 20 CHED N/C(Cc1ccccc1Cl)=N\OCc1ccc(F)cc1 72035581 GWXRMDRIXFLLOM-UHFFFAOYSA-N 292.741 3.511 30 20 CHED CC(C)CN(Cc1ccc(F)cc1C#N)CC(C)C 489626082 WPPTVOZTBBCASR-UHFFFAOYSA-N 262.372 3.811 30 20 CHED CCCOc1cccc(CNc2ccccc2C#N)c1 37999024 AGRJEPWQGZYJHG-UHFFFAOYSA-N 266.344 3.959 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(C(=O)O)cc1 314411118 GMSDORDOZUKYBV-UHFFFAOYSA-N 290.363 3.643 30 20 CHED Cc1ccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c(F)c1 79219488 MAGJTVWXEQPLOC-OAHLLOKOSA-N 297.329 3.673 30 20 CHED C#CCCCCNC(=O)N(CC)[C@@H](C)Cc1ccsc1 187547103 SYLWFSCTNIRPNT-AWEZNQCLSA-N 292.448 3.514 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)cc1F 509037289 XZJDSBAKTGIYLP-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cn1ncc(Cl)c1/C=C/C(=O)c1ccc(F)c(Cl)c1 122659658 HYZVQCUGJMCGQE-SNAWJCMRSA-N 299.132 3.762 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl 410834742 LLZQOGQPPPXKOS-FPMFFAJLSA-N 290.794 3.594 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(OCC#N)cc2)c(C)c1 314375143 SIVFVOLUBSAGEE-UHFFFAOYSA-N 294.354 3.767 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2occ(C)c2c1 187940341 KIEXJZIUDQIBMS-LLVKDONJSA-N 258.321 3.827 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccncc1 186314285 NTQZJPAFYPAUAA-SFHVURJKSA-N 277.371 3.599 30 20 CHED C[C@H](N[C@H]1CCc2ccccc2OC1)c1cccc(C#N)c1 509517327 SSPURXAORVYHEG-KSSFIOAISA-N 292.382 3.603 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc(C)c(F)c(C)c1 187242558 JZKMEMSRWMNMCD-UHFFFAOYSA-N 297.329 3.707 30 20 CHED C#CC[C@@H](OC(=O)/C=C/c1nc2ccccc2s1)C1CC1 79209513 PUHQYZZCLVRRNX-PLSXKVAHSA-N 297.379 3.655 30 20 CHED COc1ccc(/C=C\C(=O)c2cccs2)cc1[N+](=O)[O-] 33409434 JYYFWGMDYJZUME-XQRVVYSFSA-N 289.312 3.561 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 185623574 KTTMEXJAJZNLDT-ZWKOTPCHSA-N 283.415 3.708 30 20 CHED C[C@@H](CN[C@H](C)c1cccc(C#N)c1)N(C)c1ccccc1 181503531 UNFWNQGPZVRWSD-JKSUJKDBSA-N 293.414 3.734 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 501607025 OSKJGLWHRLUZPC-QGZVFWFLSA-N 275.367 3.833 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccccc1Cl 120206289 MLDUMRVVQIGZGH-RYUDHWBXSA-N 282.767 3.925 30 20 CHED CC(C)(CC#N)COC(=O)/C=C/c1ccc2ccccc2n1 184789388 BJMNZNFYBMUQLY-MDZDMXLPSA-N 294.354 3.731 30 20 CHED C[C@](O)(CNc1ccc(Cl)cc1C#N)c1ccsc1 77236410 CFSRJWFCJVAXJF-AWEZNQCLSA-N 292.791 3.593 30 20 CHED CCCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1OCC 503165516 AJGPFJYVBXIFDP-GFCCVEGCSA-N 274.364 3.722 30 20 CHED C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H]1C 135272440 IOPVIPMOVSCPGG-ZIAGYGMSSA-N 256.393 3.718 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(Cl)c1 136163245 SXPQEKHTUQLDPX-ZDUSSCGKSA-N 250.729 3.527 30 20 CHED CO[C@@H](CSCCCC1(C#N)CCOCC1)CC(C)C 419633323 PROAJVIAZJYADX-OAHLLOKOSA-N 299.480 3.881 30 20 CHED CCN(Cc1ccccn1)[C@H](C)c1cccc(C#N)c1 189921674 AYOSWTWDOJGYMY-CQSZACIVSA-N 265.360 3.536 30 20 CHED C=CCC[C@@H](CC)NCc1cc(COC(C)(C)C)on1 186829908 UUGIFCNGWRVYLX-CYBMUJFWSA-N 280.412 3.824 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1(CCC)CC1 413989997 RNGULYPXPOHKCW-MRXNPFEDSA-N 271.404 3.870 30 20 CHED CCCC[C@H](C)C(=O)N1CCCc2cc(C#N)ccc21 411004732 XGNIBIKUDNZWQI-ZDUSSCGKSA-N 270.376 3.664 30 20 CHED N#C[C@@H](C(=O)/C=C/c1ccc(Cl)s1)c1ccccn1 49457320 HPXNFAWHLJUREG-DUMNWFOQSA-N 288.759 3.686 30 20 CHED O/C(CC/C(O)=N/C1CCCC1)=N\CC1CCCC1 328772077 JMMUYGRHTPJKBO-UHFFFAOYSA-N 266.385 3.812 30 20 CHED N#CC1(C(O)=Nc2scnc2C2CC2)CCCC1 328873555 FGULNWXIGOYWJK-UHFFFAOYSA-N 261.350 3.692 30 20 CHED C=CCCOC(=O)c1cnc(-c2ccccc2)s1 132134329 WJLYBICBKPFSBN-UHFFFAOYSA-N 259.330 3.543 30 20 CHED Cc1ccccc1C[S@](=O)CCCC(C)(C)C#N 87611158 GPMBYSANLXYHOD-SFHVURJKSA-N 263.406 3.574 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1ccccc1 135688440 QGNWEOJFXZUKTC-OAHLLOKOSA-N 256.374 3.861 30 20 CHED C[C@@H](Nc1cnc2ccccc2n1)c1ccc(C#N)cc1 42099892 HFECKWVTJPYJGL-GFCCVEGCSA-N 274.327 3.675 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1 45026629 JCJJXQHUZSDNDM-HNNXBMFYSA-N 283.762 3.948 30 20 CHED CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CC#N)cc1 131838873 VTWRUFDOVYULQD-HNNXBMFYSA-N 270.376 3.561 30 20 CHED C#CCCCCC(=O)Nc1ccc(Br)c(C)c1 222817868 ZEQHQMVMPRUMJG-UHFFFAOYSA-N 294.192 3.890 30 20 CHED CC1(C)CCCc2cc(C#N)c(N[C@@H]3CC[C@H](C#N)C3)nc21 425275646 UBKDGDBOAQKEAD-SWLSCSKDSA-N 294.402 3.671 30 20 CHED CCSc1cccc(-c2noc(-c3ccc(C#N)[nH]3)n2)c1 426606137 UJPVAFVXRYZHIF-UHFFFAOYSA-N 296.355 3.715 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)c1nccs1)c1ccccc1 130969609 QLKZAENGIFGKJG-STQMWFEESA-N 286.400 3.680 30 20 CHED Cc1ccc2nc(N=C(O)C[C@@H]3CCOC3)sc2c1 329843016 NXYFIUHLMVGIRN-JTQLQIEISA-N 276.361 3.619 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccc(OCC#N)cc2)CC1 328380377 YTQVVHSFNNIMBB-HDJSIYSDSA-N 286.375 3.744 30 20 CHED Cc1ccc(N(C)Cc2ccc(F)c(C#N)c2)cc1 229749690 SCKQWHODCHBZCU-UHFFFAOYSA-N 254.308 3.642 30 20 CHED Cc1ncc(N=C(O)[C@@H]2C[C@H]2C2CCCCC2)cn1 329585133 RCHYZQHKIVEIJR-UONOGXRCSA-N 259.353 3.589 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1c1ccccc1Cl 191956197 CBEMAVJUVNEOKJ-HNNXBMFYSA-N 275.779 3.807 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](C)N(C)c2ccccc2)n1 338996773 JYCWGAYBAOXRII-OAHLLOKOSA-N 294.402 3.507 30 20 CHED N#Cc1ccc(/C=C\c2ccc3ncccc3c2)nc1 339188109 PGDNJYPTXXHWRY-UTCJRWHESA-N 257.296 3.672 30 20 CHED Cc1cc([C@@H](C)NCCCC2(C#N)CCOCC2)c(C)o1 330391465 PDCJIWNXJCCEQU-CQSZACIVSA-N 290.407 3.648 30 20 CHED Cc1ccc(CCCC(=O)N2CCC(CCC#N)CC2)cc1 517940500 QRCCVGFNZQUCHL-UHFFFAOYSA-N 298.430 3.860 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 192144555 BYIIRERMTNLERO-HNNXBMFYSA-N 292.382 3.729 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 333081609 MDLLWXRSDHUMBJ-VKJFTORMSA-N 288.435 3.793 30 20 CHED CCC(C)(C)N(C)Cc1c(C#N)c(C)nn1-c1ccccc1 91072942 BYNMLBMLOLITBE-UHFFFAOYSA-N 296.418 3.673 30 20 CHED N#Cc1ccc(NC(=O)NCc2ccsc2)c(Cl)c1 336107463 TYSCDPUWHUKNME-UHFFFAOYSA-N 291.763 3.595 30 20 CHED CC(C)(C#N)CCSCCN1CCc2ccccc21 427663807 FVBJEJAJOBDJHK-UHFFFAOYSA-N 274.433 3.722 30 20 CHED CC[C@](C)(C#N)C(=O)NCCCCCOC1CCCCC1 512686913 KOSCJWRHFOIDPI-QGZVFWFLSA-N 294.439 3.562 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(CCC#N)CC(C)(C)C)cc1 93101157 UNVIKPUWGSXBAV-HNNXBMFYSA-N 299.418 3.739 30 20 CHED C=CC1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 510472105 FCIVHXGGFFFHGH-WKILWMFISA-N 263.425 3.873 30 20 CHED CSc1ccc(Nc2snc(C)c2C#N)cc1 92912193 LGCHIJMVXOJZRJ-UHFFFAOYSA-N 261.375 3.789 30 20 CHED CC[C@H](/N=C(/O)c1scnc1C(C)C)[C@H]1CCCO1 331338172 RBKPJBBBJPAKHJ-WDEREUQCSA-N 282.409 3.529 30 20 CHED COC1(c2noc(C3(C#N)CCCCC3)n2)CCCCC1 331702691 WWNVLNXGABPRAA-UHFFFAOYSA-N 289.379 3.601 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC[C@H](F)C2)cc1 335112850 KPYKCPKTSOHZNV-JSGCOSHPSA-N 288.366 3.955 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(OCC)cc1 180456310 LBGAHNJWCDPPRB-ZDUSSCGKSA-N 265.422 3.655 30 20 CHED CC(C)C1CCN(Cc2cc(C#N)ccc2F)CC1 231699229 WGRPYUIFFYWZDO-UHFFFAOYSA-N 260.356 3.565 30 20 CHED CC(=O)c1ccc2c(c1)CN([C@@H](C)c1cccc(C#N)c1)C2 335172169 BRHNRHIHKKXRKE-ZDUSSCGKSA-N 290.366 3.838 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2ncccc2c1 431991825 LXAYFNBPJGWASX-UHFFFAOYSA-N 254.333 3.776 30 20 CHED C=CCC1(C(=O)N2CC(C(F)(F)F)C2)CCCCC1 514580896 ZBJMWJOSCIJBGZ-UHFFFAOYSA-N 275.314 3.534 30 20 CHED CCSCc1ccnc(NCc2cccc(C#N)c2)c1 90228408 NZFARBOKFSSGMX-UHFFFAOYSA-N 283.400 3.818 30 20 CHED CCCN(CCCCC(C)(C)C#N)CCN1CCCCC1 513145147 QHUWJQDQYLYTGG-UHFFFAOYSA-N 293.499 3.904 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N2CCc3ccc(C#N)cc32)C1 339813950 QXSUOIJFJNJLAP-ZIAGYGMSSA-N 282.387 3.664 30 20 CHED C=C(C)C(C)(C)c1nc([C@H]2CCCCS2)no1 335247814 ARCHGGMTEOLUSC-SNVBAGLBSA-N 252.383 3.882 30 20 CHED CC[C@@H](C)CN(CC)Cc1ccc(O[C@@H](C)C#N)cc1 93844915 RNXKEZFJCGDKCJ-CABCVRRESA-N 274.408 3.845 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1nc2cc(F)c(C)cc2s1 434519978 CHGZCEWERBTNTJ-SECBINFHSA-N 293.367 3.830 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 344059578 ZHVSUVVWECIDLQ-PBHICJAKSA-N 291.366 3.758 30 20 CHED C=CCC[C@H](NCCn1nc(C)cc1C)c1ccccc1 341948515 UJIQSUGFZNCSCB-SFHVURJKSA-N 283.419 3.797 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@H]2CCC[C@@H](C)C2)no1 346257883 XWUDYHMLBLLWGQ-DVOMOZLQSA-N 278.396 3.844 30 20 CHED N#Cc1ccnc(NCCSc2ccc(Cl)cc2)c1 341359767 SCVUKCXGMIKCJG-UHFFFAOYSA-N 289.791 3.811 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1ccccc1Cl 602504332 MNCRRMUDRUNSAY-RYUDHWBXSA-N 250.773 3.930 30 20 CHED CCS[C@H]1CCCCN(c2nccc(C#N)c2Cl)C1 342175339 ZERJQCGCYHWQAC-LBPRGKRZSA-N 295.839 3.719 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(C(=O)CC)c1 439469011 NAKPJQXKDUCMTP-ZDUSSCGKSA-N 274.364 3.756 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1cnccc1OC 341344734 SUVHLCPBSKRQTD-UHFFFAOYSA-N 299.370 3.715 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(C#N)c(C)c2)c1 434739096 QWKHVWMSOGTCGQ-CQSZACIVSA-N 294.354 3.581 30 20 CHED N#Cc1cnccc1/C=C/c1cc(Cl)c2c(c1)OCCO2 347440422 KCGANOFDQDKJQD-OWOJBTEDSA-N 298.729 3.548 30 20 CHED C=CCOc1ccc(C(=O)N(C2CC2)[C@H](C)C(C)C)cc1 341875803 DAHBEYUOFPDNLK-CQSZACIVSA-N 287.403 3.901 30 20 CHED Cc1ccc([C@@H]2OCCC[C@H]2Nc2cc(C#N)ccn2)cc1 342817863 SDONTXHEMVIERB-AEFFLSMTSA-N 293.370 3.594 30 20 CHED CCCCN(C)C[C@H](C)N[C@@H](CC)c1ccc(C#N)cc1 343920162 CYPANBDPENLUQB-YJBOKZPZSA-N 287.451 3.719 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCCC2)CC1 248972723 SZOJZRPGVOGCOE-VQIMIIECSA-N 297.446 3.570 30 20 CHED N#Cc1ccc(C(=O)Nc2ccnc(-c3ccccc3)c2)cc1 346874199 KLQNEFPMBVHALN-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CCCc1ccccc1NC(=O)c1ncc(C#N)cc1Cl 439254195 DQBJRPNBNPQNQG-UHFFFAOYSA-N 299.761 3.811 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1c(C)noc1C 348430704 AVLSTWYDUGGNBP-UHFFFAOYSA-N 291.376 3.573 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1CCCC 604897891 MFOJFJNVLVHQJN-BFHYXJOUSA-N 252.402 3.609 30 20 CHED CCc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)o1 349909946 DUMKTYPKAHBBAL-UHFFFAOYSA-N 280.371 3.878 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N[C@H](C)CC#N)cc1 609987937 SPZJGJAVWJWAFD-UONOGXRCSA-N 272.392 3.722 30 20 CHED C[C@H]1CCCC(=NNC(=S)Nc2ccccc2)C1 252462343 RQRCEVNKLAYFPF-NSHDSACASA-N 261.394 3.539 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 346861909 YZVAKCABKVBXDW-QGZVFWFLSA-N 269.388 3.531 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1cc(C#N)cs1)C1CC1 437566953 JRUWKKQEIGYNQB-INIZCTEOSA-N 296.395 3.809 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)s1 538398281 IPXZBRSFFVIOOA-YNEHKIRRSA-N 260.406 3.678 30 20 CHED N#CCN(C/C=C\c1ccc(F)cc1)C1CCCC1 255843910 MEIYTUSLEOWYHU-ARJAWSKDSA-N 258.340 3.607 30 20 CHED CSc1ccc(Cl)c(C(=O)N[C@H](C#N)CC(C)C)c1 608824113 VEYJXHVUUFMXDF-JTQLQIEISA-N 296.823 3.730 30 20 CHED N#Cc1ccccc1S[C@H]1CCO[C@@H](c2cccnc2)C1 600524114 COBKYOAYANMSQT-JKSUJKDBSA-N 296.395 3.966 30 20 CHED C=CCOc1ccc(/C=C\c2ccc(C#N)cn2)cc1OC 255617872 WZGHXYIEHCISPP-DAXSKMNVSA-N 292.338 3.697 30 20 CHED C=CCN(C(=O)c1ccc(F)cc1Cl)C(C)(C)C 622942430 LDLBAXSSXDHWDA-UHFFFAOYSA-N 269.747 3.906 30 20 CHED COc1cccc([C@H]2C[C@H](NCc3ccc(C#N)s3)C2)c1 449617086 GBDDXMKJVMGDAS-HDJSIYSDSA-N 298.411 3.664 30 20 CHED CCOCc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 447589736 YVKOCOOCGUNHSD-HOCLYGCPSA-N 258.365 3.717 30 20 CHED CCC(CC)CN(CCC#N)CCCN1CCCCC1 444602804 MTEXTMLOJLYEAZ-UHFFFAOYSA-N 279.472 3.514 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2cc(O)cc(O)c2)cc1 255883451 CGRAYHUFJKASLX-YVMONPNESA-N 298.338 3.781 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccccc1 341114728 UUVAOXYKZOXSNJ-UHFFFAOYSA-N 269.319 3.654 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc(Cn2cncn2)c1 449040069 FVDLUJJUFPKNOG-OAHLLOKOSA-N 284.407 3.873 30 20 CHED CC[C@H](F)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 440773724 YWWOLGJDPLYRNC-ZETCQYMHSA-N 281.215 3.551 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)CCCSC 358945317 AGJROVANPJZZLR-ZDUSSCGKSA-N 296.484 3.557 30 20 CHED N#Cc1nccnc1NC1CCC(c2ccc(F)cc2)CC1 359075901 JJKGOGDXCNFACN-UHFFFAOYSA-N 296.349 3.626 30 20 CHED Cc1cc(C)c(CC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(C)c1 538017318 BRKCVNRJKAJMHE-YJYMSZOUSA-N 298.430 3.743 30 20 CHED N#Cc1cccc(CN(CC2CCC2)CC2CC2)c1 355733166 PRPVIJPCMHSZIF-UHFFFAOYSA-N 254.377 3.570 30 20 CHED CC#CCNC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 443364123 FPUQQBTUYYQLBR-UHFFFAOYSA-N 290.672 3.504 30 20 CHED Cc1csc([C@H](C)CN[C@@H]2CCc3ccc(C#N)cc32)n1 353683127 YDKNCUCFHDEBLJ-BDJLRTHQSA-N 297.427 3.704 30 20 CHED CC[C@H](C)n1ncc(Nc2ncc(C#N)cc2Cl)c1C 357646230 OXIZKSVFGKRZCG-VIFPVBQESA-N 289.770 3.826 30 20 CHED C[C@H](CCC#N)CN1CC[C@H](C(F)(F)F)C1(C)C 602630435 PMOZJKCKTHLECT-MNOVXSKESA-N 262.319 3.589 30 20 CHED CC[C@H](C)[C@@H](CN[C@H](CCC#N)c1ccccc1)OC 602584034 WJTXTXZHCASCMV-USXIJHARSA-N 274.408 3.682 30 20 CHED CSCc1cnc(CNc2cc(C#N)ccc2C)s1 352834901 YACSQQIVHQLJLA-UHFFFAOYSA-N 289.429 3.798 30 20 CHED N#Cc1ccc(CCc2nc([C@@H]3CCCCS3)no2)cc1 357575021 YIOMAPIRMXFUCM-AWEZNQCLSA-N 299.399 3.685 30 20 CHED C=CCCCNC(=O)NCc1ccc(-c2ccncc2)cc1 448146575 NLOPLQBTHFSMFP-UHFFFAOYSA-N 295.386 3.514 30 20 CHED CCOc1cc(CNc2cccc(C#N)c2C)ccc1OC 354800045 WMPXVESBWCFTRM-UHFFFAOYSA-N 296.370 3.886 30 20 CHED Cc1cc(C)cc(CCNc2ccc(C#N)cc2[N+](=O)[O-])c1 610131696 FFWIVMUQQYCFTR-UHFFFAOYSA-N 295.342 3.738 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1ncc(C#N)cc1Cl 610280161 CUVQSXFMMZDOCD-ZBFHGGJFSA-N 283.762 3.749 30 20 CHED N#CC1(CSCCCCSCC2(C#N)CC2)CC1 355931221 LBXJJKSPILZFSU-UHFFFAOYSA-N 280.462 3.841 30 20 CHED C=CCCO[C@H](C)c1nc(C2(OC)CCCCC2)no1 351145052 OISXUNADOUOADN-GFCCVEGCSA-N 280.368 3.529 30 20 CHED C=CCCCC(=O)Nc1cccc(C#Cc2ccccn2)c1 359053942 JFHPTUIIMIGXSZ-UHFFFAOYSA-N 290.366 3.776 30 20 CHED C[C@H](CCC#N)CNc1ccc(-c2cnco2)cc1 618887040 IVCQBBZQWRBUCZ-GFCCVEGCSA-N 255.321 3.693 30 20 CHED C=C1CCN(Cc2cccc(SC(=O)N(C)C)c2)CC1 267627983 NBABSHHJKDKRKM-UHFFFAOYSA-N 290.432 3.612 30 20 CHED C=CCC1(NC(=O)[C@H](OCC)c2ccccc2)CCCC1 619104674 RGQHOTGNCHVCPS-MRXNPFEDSA-N 287.403 3.769 30 20 CHED C[C@@H]1CC/C(=C\C(=O)Nc2ccc(C#N)cc2Cl)C1 269224078 PPGODBKWUZWSIV-MXBGMFSPSA-N 274.751 3.897 30 20 CHED C=CC[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 360649848 WMKWSGRHWBUDCS-GUYCJALGSA-N 254.377 3.880 30 20 CHED C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)C(C)(C)C 265333898 WXKZKPSNPACLEW-ZDUSSCGKSA-N 288.391 3.990 30 20 CHED C=CC(C)(C)CNC(=O)CCCCOc1cccc(C)c1 452779697 VERRGDVAOCEQQA-UHFFFAOYSA-N 289.419 3.873 30 20 CHED C[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 619697577 VRIKUCHJULHPGR-FZMZJTMJSA-N 292.329 3.561 30 20 CHED CC[C@H](CC(F)(F)F)Nc1cccc(C#N)c1[N+](=O)[O-] 450442447 XGWSZSCVYJAOPO-SECBINFHSA-N 287.241 3.609 30 20 CHED Cc1ccnc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)c1C#N 612080631 YWXMNCRSIGOGFY-HIFRSBDPSA-N 287.407 3.515 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)NCC(C)(C)CC#N 459236845 MDIXYKHNNZPNSH-INIZCTEOSA-N 279.428 3.536 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(Cl)cc1F 272401651 JIIAAXGKXFAUJD-AWEZNQCLSA-N 282.746 3.537 30 20 CHED C=CC(C)(C)CNC(=O)NC[C@@H]1CCCCC(F)(F)C1 454995795 TWDAZBIHTCEVGX-GFCCVEGCSA-N 288.382 3.713 30 20 CHED CC(C)(CCC#N)CNC(=O)c1c[nH]cc1-c1ccccc1 360421887 FMNVPHXKXPVIPX-UHFFFAOYSA-N 295.386 3.741 30 20 CHED CC(C)(CNC(=O)c1ccc(CC#N)cc1)C1=CCCC1 457187767 UYUVXKQXSSAYGV-UHFFFAOYSA-N 282.387 3.619 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(Cl)ccc1OCC 453357877 MPARMYYDVOMGGE-GLQYFDAESA-N 295.810 3.733 30 20 CHED C=CCCC1(C(=O)Nc2cc(C)c(C(=O)OC)s2)CC1 361481422 MRIYAOZDWWVHMM-UHFFFAOYSA-N 293.388 3.528 30 20 CHED C=CCCCC[C@@H](C)NC[C@H]1CCOC(C)(C)C1 453408453 GQGALSICKLWSBQ-CABCVRRESA-N 253.430 3.916 30 20 CHED C=CCC[C@H](O)CN[C@H](C)[C@H](C)C1CCCCC1 543463353 KIZWQHSURCJKPX-LZWOXQAQSA-N 253.430 3.508 30 20 CHED CCc1cnccc1[C@H](C)NCC#Cc1cccc(Cl)c1 542123947 SFQOMWNZXBYUGL-AWEZNQCLSA-N 298.817 4.000 30 20 CHED CSc1ccc(-c2noc(C(C)(C)C#N)n2)c(Cl)c1 273955521 ZLVXTNGJZWLJPV-UHFFFAOYSA-N 293.779 3.913 30 20 CHED C=CCC[C@@H](NCc1ccc(CO)cc1)c1ccccc1 272519418 PSZSQRFTOHPEJI-LJQANCHMSA-N 281.399 3.976 30 20 CHED C[C@H]1CN(CCC(C)(C)C#N)c2cc(Cl)ccc2O1 540663763 BMBZJUPSWZHRJQ-NSHDSACASA-N 278.783 3.867 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 453315584 ZTGYTUHPMTZUKT-GFCCVEGCSA-N 286.419 3.779 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnc2c(c1)CCCC2 467922635 YBKIRMKSYWXZHQ-MRXNPFEDSA-N 258.365 3.501 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cccc(C(C)C)c1 623928177 GNKYSCWJOWUAQM-LSDHHAIUSA-N 261.409 3.645 30 20 CHED CC#CCCSCc1ccc(OC(F)F)c(OC)c1 462378783 ULJBQHJYZFLBQO-UHFFFAOYSA-N 286.343 3.943 30 20 CHED C=C(C)Cn1c(N2CCCC2(C)C)nnc1C(C)(C)C 460370310 PWQIKEOSIBJRBV-UHFFFAOYSA-N 276.428 3.531 30 20 CHED CC(=O)Nc1ccc(Cl)cc1NCCC(C)(C)C#N 288755183 RKZRFCHTVWZEAD-UHFFFAOYSA-N 279.771 3.650 30 20 CHED N#Cc1cccc(C2(c3nc(CC4CCCC4)no3)CC2)c1 551154164 AKWGNJMVCMCUQX-UHFFFAOYSA-N 293.370 3.754 30 20 CHED Cc1ccsc1CCNc1nc(C)c(C#N)cc1Cl 461958784 PDUCZGRIYZMCCV-UHFFFAOYSA-N 291.807 3.940 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 281438576 RZEWLOPXDSMDRD-CWRNSKLLSA-N 272.392 3.744 30 20 CHED Cc1oc(C#N)cc1C(=O)N(Cc1ccccc1)C(C)(C)C 280665352 BXDYWKOVZHFQMM-UHFFFAOYSA-N 296.370 3.901 30 20 CHED C=CCNc1cccc(C(=O)Nc2ccccc2)c1C 553808522 WOQYTEOUCTWCAG-UHFFFAOYSA-N 266.344 3.845 30 20 CHED C=CCC1(N[C@@H](c2nccn2C)C2CC2)CCCCC1 639246624 GPKNPZRKBGTVCU-OAHLLOKOSA-N 273.424 3.740 30 20 CHED Cc1nc(C(C)C)oc1C(=O)OCc1ccc(CC#N)cc1 292113853 BDUQVNYZDYURCF-UHFFFAOYSA-N 298.342 3.530 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2cccc(OC)c2)CC1 294663379 VNOHNXJNUDTUEJ-UHFFFAOYSA-N 287.403 3.613 30 20 CHED CC(C)(CC(=O)Nc1cc(C#N)ccc1NC1CC1)C1CC1 552002482 MRLFLSDAYIVQEY-UHFFFAOYSA-N 297.402 3.897 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(SC(=O)N(C)C)cc1 294549114 JZGYPGWXWJVHRK-UHFFFAOYSA-N 292.404 3.611 30 20 CHED C#C[C@H](NC(=O)C1(Cc2ccccc2)CCC1)C(C)(C)C 807880797 RXAVTNVKKHYEBK-INIZCTEOSA-N 283.415 3.564 30 20 CHED C#C[C@@H](NC(=O)CCCc1sccc1C)C(C)(C)C 807884215 LLQGXHGKUGPTAY-CQSZACIVSA-N 277.433 3.543 30 20 CHED N#CCSCC(=O)OCc1ccc(C2CCCC2)cc1 808501780 OMXYNCHRHXLSMX-UHFFFAOYSA-N 289.400 3.644 30 20 CHED C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)c2nccn21 296662449 FIKJSRQWINHHLY-BMFZPTHFSA-N 280.375 3.524 30 20 CHED C[C@H](NCCCC#N)c1ccc(Oc2ccccc2)cn1 296572067 VDZLPPOFZHCNGL-AWEZNQCLSA-N 281.359 3.828 30 20 CHED CC1(C)CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 476520799 VNKWSLPKTAVQFU-HNNXBMFYSA-N 284.403 3.796 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(C#N)[nH]1 294280184 ZSVODELBROWPHB-CYBMUJFWSA-N 275.396 3.707 30 20 CHED C#C[C@H](NCc1ccc(OCC(F)(F)F)cc1)C(C)(C)C 809780954 BMVLXGHFHRISGB-AWEZNQCLSA-N 299.336 3.765 30 20 CHED N#CCCN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1ccc(F)cc1 562515925 BJLQSOFRZNKNMI-DVOMOZLQSA-N 286.350 3.509 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)c1nc2ccccc2n1C(F)F 565843034 WUPFOZMSVZMVBP-QWRGUYRKSA-N 292.333 3.774 30 20 CHED C#CCC1(C(=O)OCC(=O)CC(C)(C)C)CCCCC1 805536324 DOQMSZQYDLLLNA-UHFFFAOYSA-N 278.392 3.509 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC2(CCCC2)C1 800777343 LGFXXIJEIJXABT-AWEZNQCLSA-N 288.439 3.748 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1CCCSCC#N 296532053 AZIFSVYDNHCCFT-VYDXJSESSA-N 288.460 3.900 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Oc2cc(F)cc(F)c2)c1 808335619 ODDVHIFQNWJBRG-UHFFFAOYSA-N 293.656 3.709 30 20 CHED N#Cc1ccc(-c2nc(-c3cccc(C(F)F)c3)no2)nc1 809480389 NKRYMSFFORFTGU-UHFFFAOYSA-N 298.252 3.608 30 20 CHED C=C[C@](C)(CCOC)C(=O)NC1CCC(C(C)C)CC1 473941823 WUQQNDXNWVZCAG-VMBOVVBDSA-N 281.440 3.546 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(F)cc1Br 298602618 QMZJAIXEQQOIRZ-UHFFFAOYSA-N 286.144 3.739 30 20 CHED C#CCOc1ccccc1CNC[C@H]1CCCC(F)(F)C1 800276035 HJSPWMIILGUNJB-AWEZNQCLSA-N 293.357 3.614 30 20 CHED C=CCC(C)(C)c1nc(C2Cc3ccccc3C2)no1 562342927 IOVPIOZGVGVPGF-UHFFFAOYSA-N 268.360 3.806 30 20 CHED C=CCCCCCCNC(=O)c1c(F)cccc1F 805220041 DYGIABHZRSDAHA-UHFFFAOYSA-N 267.319 3.831 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C 805217768 JQWZTUWELBTVTI-GJZGRUSLSA-N 293.451 3.881 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(F)c(F)c2)no1 566704445 GAVZIHZIEFQREK-HNNXBMFYSA-N 278.302 3.792 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H]1CCc2ccccc2C1 480271366 PWCDPYQMMHLVJB-OAHLLOKOSA-N 271.404 3.606 30 20 CHED Cc1nc(N2CCC[C@@H]2Cc2ccc(F)cc2)ccc1C#N 488067855 KJPMRHDEXXRBHT-QGZVFWFLSA-N 295.361 3.612 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)[C@@H]1CC2CCC1CC2 394527499 ZBTMRTRLKOWGFR-QSUGNCRHSA-N 298.430 3.893 30 20 CHED CCC(=NNc1ccccc1C(=O)O)c1ccc(C)cc1 812444271 BRSATAJADIEELS-UHFFFAOYSA-N 282.343 3.919 30 20 CHED C#C[C@H](NCc1ccc(Sc2ccccn2)o1)C(C)C 816607164 HTXOOKOHVACWAF-AWEZNQCLSA-N 286.400 3.573 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(CC#N)c1ccccc1 483414967 WAXGRRAPZZQYKY-GOEBONIOSA-N 270.376 3.760 30 20 CHED N#CCCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 483737086 ZOARNOCQZDUCEJ-KSZLIROESA-N 268.404 3.948 30 20 CHED Clc1cnc(C=NNc2nc3ccccc3s2)s1 814685970 ZDEIFJUPVDYQJX-UHFFFAOYSA-N 294.792 3.852 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1Cc2ccccc2O1 482749964 MBXVVHRHDJBXHL-GOSISDBHSA-N 299.414 3.585 30 20 CHED C=CCCCCOC(=O)c1cncn1-c1ccc(F)cc1 811012389 JOECAJWTOLFFEW-UHFFFAOYSA-N 288.322 3.525 30 20 CHED CC(C)(C#N)COC(=O)c1nc2ccccc2cc1Cl 810664594 XMYYJCCZQBSVGT-UHFFFAOYSA-N 288.734 3.595 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccc(C2CCCC2)cc1 812242475 RGVORFWBQGCXQW-DHZHZOJOSA-N 280.371 3.974 30 20 CHED CCOC(=O)CCCCSc1ccc(C#N)c(C)c1 568510704 CGXOBOFPBUILRW-UHFFFAOYSA-N 277.389 3.692 30 20 CHED CC(C)(CCNC(=O)/C=C/c1ccccc1C#N)C1CC1 819156085 OLRRHLVIESRSNU-JXMROGBWSA-N 282.387 3.514 30 20 CHED C=CCn1cccc1C(=O)N[C@H](c1ccccc1C)C1CC1 488949936 IYDJJCMTZZYCKN-SFHVURJKSA-N 294.398 3.864 30 20 CHED C=C1CCN(C(=O)COc2cc(C)c(Cl)c(C)c2)CC1 481792669 WLTLGKHWZJYLKD-UHFFFAOYSA-N 293.794 3.514 30 20 CHED C#C[C@@H](CC)NC(=O)C1(Cc2cccs2)CCCCC1 811452821 AHLVLSQBUBSJEB-AWEZNQCLSA-N 289.444 3.769 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CCC)CCCC 483993969 LPEGHJUPWDYGMQ-CQSZACIVSA-N 252.402 3.729 30 20 CHED CCC(=NNc1ccccc1C(=O)O)c1ccccc1 812442477 DGKLUVAUZXWFKI-UHFFFAOYSA-N 268.316 3.611 30 20 CHED CCC[C@H](CCc1ccccc1)NCC1(C#N)CC1 574350906 PYVCOCXTIWRCGZ-MRXNPFEDSA-N 256.393 3.681 30 20 CHED Cc1nn(-c2ccccc2)c(Cl)c1C=NOCC1CC1 814245137 SMNFMAJPCIDPRR-UHFFFAOYSA-N 289.766 3.595 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(O)cc2F)cc1 814984123 KNYRRMRXEGNHFJ-UHFFFAOYSA-N 288.322 3.766 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 811997509 LJYQKBKBQLEMDQ-IRXDYDNUSA-N 284.403 3.547 30 20 CHED Cc1ccc(C)c(NN=C2CCc3ccc(C#N)cc32)c1 811634541 SHODBPZJNNONSS-UHFFFAOYSA-N 275.355 3.938 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc(Cl)cc2)no1 810276624 WGAVGMYABHGZDU-UHFFFAOYSA-N 294.741 3.962 30 20 CHED C#C[C@@H](CCC)NC(=O)CCCc1ccccc1Cl 810700419 BSQUHVVNCSQGFY-AWEZNQCLSA-N 277.795 3.581 30 20 CHED CC(C)(C)c1ccc(-c2noc(C(C)(C)C#N)n2)cc1 485862870 MDECKHXSTARQSS-UHFFFAOYSA-N 269.348 3.835 30 20 CHED C=CCC(F)(F)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 815099395 UPKBMMSHUFQWTB-CYBMUJFWSA-N 279.330 3.808 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@H](C2CCCC2)C1 817126547 XJDIYYACEVSTPW-JTQLQIEISA-N 281.812 3.685 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1csc(CC(C)C)n1 488863361 SRIGJLVURNHNAW-GFCCVEGCSA-N 278.421 3.522 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCc1ccco1 482824531 GKHMMDLFOLWXEQ-UHFFFAOYSA-N 275.392 3.807 30 20 CHED COc1ccc(F)cc1/C=C1/CCCC(C)(C)C1=O 812244154 ZSHLXCTYVCJJSQ-LUAWRHEFSA-N 262.324 3.997 30 20 CHED C#CC[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)c1ccccc1 827395232 FVJVSGRQWFWXPJ-JSGCOSHPSA-N 297.320 3.846 30 20 CHED C#Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nc1 728797161 WKVYYBNMGKDSDR-UHFFFAOYSA-N 291.137 3.622 30 20 CHED Cc1cccc2c(C(=O)O[C@H](C)C(C)(C)C#N)coc12 820363804 XXQUJVPUFZKZLD-LLVKDONJSA-N 271.316 3.836 30 20 CHED N#CCCCCCC(=O)OCc1cc2cc(F)ccc2[nH]1 822331215 RJGYTEDRDYKNLS-UHFFFAOYSA-N 288.322 3.824 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2ncccc2C#N)CC1 577310966 UPWBNAWJNWLEEB-LJQANCHMSA-N 291.398 3.901 30 20 CHED C=CCC1(N[C@H]2Cc3ccc(Cl)cc3C2)CCOCC1 668551422 MSCBANWIJKDLGC-INIZCTEOSA-N 291.822 3.522 30 20 CHED CCc1ccc([C@H](C)C(=O)N(CCC#N)CC(C)C)cc1 727737875 XAXAYDPPETUKFT-HNNXBMFYSA-N 286.419 3.751 30 20 CHED C#Cc1cccc(N(C(=O)[C@H](C)OCCCC)C(C)C)c1 728245527 ATZALFJMXAMMSA-HNNXBMFYSA-N 287.403 3.615 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1SC(C)C)C(C)C 821564335 CQKOMZOSBSFZNX-ZDUSSCGKSA-N 290.432 3.966 30 20 CHED CC(C)C#CC(=O)Nc1cccc(COCc2ccco2)c1 822589242 MSLKEKNHJADVED-UHFFFAOYSA-N 297.354 3.594 30 20 CHED Cc1cc(C=NNc2cc([N+](=O)[O-])ccc2C)ccc1F 729144953 CGTZXRLNDWVKQH-UHFFFAOYSA-N 287.294 3.797 30 20 CHED COc1cccc2cc(C(=O)/C=C\c3ccc(F)nc3)oc12 588523746 DRTWQSPUXGPCCR-ALCCZGGFSA-N 297.285 3.872 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc(C#N)c(C)c1 821447120 ATJFQIILFBBQHK-UHFFFAOYSA-N 257.333 3.512 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2cncn2CC)cc1 901436917 CJPZKOXXIHEXCX-YFHOEESVSA-N 284.359 3.588 30 20 CHED N#CCCCCCc1nc(-c2ccc3cc[nH]c3c2)no1 589100872 YHKLLBVSWIHQRV-UHFFFAOYSA-N 280.331 3.844 30 20 CHED N#CCCCCCC(=O)N1CC[C@H]1c1cccc(F)c1 588624039 IINLCBKDXNKEOJ-HNNXBMFYSA-N 274.339 3.573 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C/c1ccc2cc(OC)ccc2c1 735068010 RDTZHAXRHGWACR-DPQIITEBSA-N 295.382 3.942 30 20 CHED CC#CCCNC(=O)C[C@H](C)c1ccccc1C(F)(F)F 498579767 HWMWJDYHVBOEGV-LBPRGKRZSA-N 297.320 3.729 30 20 CHED CC[C@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 903054338 WXMUKIOAKIBGMC-OALUTQOASA-N 292.382 3.992 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cccc3nc(C)[nH]c23)no1 583526074 SDSJDVRKTMBUSV-MRXNPFEDSA-N 282.347 3.775 30 20 CHED CCCCNN=C(CC1CCCCC1)c1ncccn1 733901636 RJWJMPQMFYPKDD-UHFFFAOYSA-N 274.412 3.541 30 20 CHED CCC(=NNc1ncnc2ccsc12)C1CCC1 834963708 NVMGNALWKOPYRI-UHFFFAOYSA-N 260.366 3.669 30 20 CHED C=CC[C@H](C)NC(=S)NC[C@H](CC)CCCC 734985423 DSAVYKFZKMZVLE-QWHCGFSZSA-N 256.459 3.632 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C/c2cncn2C)cc1 901429884 FGRPMDXDMJDNKG-CMDGGOBGSA-N 268.360 3.515 30 20 CHED C=CCC1(C(=O)O[C@@H](C)C(=O)c2ccco2)CCCCC1 838153678 JSGXHGALYQRLBE-ZDUSSCGKSA-N 290.359 3.921 30 20 CHED COc1cc(NC(=O)CCCCCC#N)ccc1Cl 588165743 PEHLQSSNDCPDSX-UHFFFAOYSA-N 280.755 3.761 30 20 CHED CC(C(=O)O[C@H](C)c1ccc(C#N)cc1)=C1CCC1 838238151 UQBMYWWQWJKVES-GFCCVEGCSA-N 255.317 3.663 30 20 CHED CC(=NNc1nc2ccccc2s1)[C@H]1C[C@H]2CC[C@H]1O2 834913632 BSWNJMRHSQSUNT-NQBHXWOUSA-N 287.388 3.652 30 20 CHED C[C@@H]1CN(C(=O)/C=C\c2ccccc2C#N)[C@@H]2CCCC[C@H]12 588422728 ICPZIRIRUYLKKY-RYPMAVNASA-N 294.398 3.609 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CC[C@H](C)C2)cc1 581497023 JERFBSCXJNRSKG-JQFCIGGWSA-N 284.403 3.708 30 20 CHED N#CC1(CCCCn2ccc3ccsc3c2=O)CCC1 902735349 YBGZECNUYYKJAA-UHFFFAOYSA-N 286.400 3.927 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccc(F)cc1 730147786 JZNBUWPJMLOXBU-UHFFFAOYSA-N 279.318 3.632 30 20 CHED C#CCCCCCCN[C@@H](C(=O)O)c1cc(C)cc(C)c1 901534169 IDXLKBLMWATFKT-QGZVFWFLSA-N 287.403 3.602 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(Cl)c2)C1 839044192 PQHWCYXHUPTIGB-GXFFZTMASA-N 263.724 3.579 30 20 CHED C=CC[C@@H](NC(=O)N1CCCC(C)(C)C1)c1ccncc1 734679188 KOOVKYIVZRMHNP-OAHLLOKOSA-N 287.407 3.530 30 20 CHED C=C(C)CNC(=S)N1CCCCC[C@H]1c1ccc(C)o1 737465833 XONYPCSTRQAWPD-AWEZNQCLSA-N 292.448 3.956 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)c1ccccc1 730434410 LOFDQRGGZNSAHN-PBSOMRJOSA-N 255.317 3.581 30 20 CHED Cc1cc(C)c(/C=C/C=C2/C(=O)c3ncnn3[C@@H]2C)cc1C 905083143 BWQIEHRBIRYEMZ-FKVVJADZSA-N 293.370 3.600 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cnn(C2CCCCC2)c1C 839037874 ACASMBPRXKGCCP-CYBMUJFWSA-N 288.391 3.655 30 20 CHED N#CC1CCC(CNCCc2ccc(F)cc2Cl)CC1 580504255 PHKFBNHBEIRGPJ-UHFFFAOYSA-N 294.801 3.941 30 20 CHED CC(C)(C/N=C\c1ccccc1O)c1cccc(F)c1 735619758 QYCDIBJRYQJAMQ-ODLFYWEKSA-N 271.335 3.928 30 20 CHED CCCCCC=NNc1ccc(C(=O)O)c(F)c1 835010148 QFRXWTANMQGTAZ-UHFFFAOYSA-N 252.289 3.502 30 20 CHED C=C1CCN([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 731033028 UOIRHSFXIJNJPB-OAHLLOKOSA-N 294.398 3.819 30 20 CHED C#Cc1cccc(N(CC)C(=O)CO[C@@H]2CCCC[C@H]2C)c1 733105229 WLRCIRNOLMQOCS-CRAIPNDOSA-N 299.414 3.616 30 20 CHED CC#CC(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 837187147 CORJPSAVFCTCLR-DZGCQCFKSA-N 275.779 3.506 30 20 CHED CC(C)Oc1ccccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839049421 JAYVEWKAOPNBCS-KBPBESRZSA-N 287.359 3.713 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(Cl)cc2C)CC1 831051917 GYMSINWTFNMXJK-UHFFFAOYSA-N 276.767 3.526 30 20 CHED CCc1cccc2c(C=NNc3ccccn3)c[nH]c12 916276126 MDIVGGAFXAJWIM-UHFFFAOYSA-N 264.332 3.571 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N1CCCC[C@H]1C 594466955 DEQCJLSRVWXMDF-KGLIPLIRSA-N 285.391 3.545 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H]2CCC[C@@H](C)C2)c1 919903135 DQBGNAPQGLVGPW-HIFRSBDPSA-N 270.376 3.616 30 20 CHED Oc1ccc(C=NNCc2ccc(C(F)(F)F)cc2)cc1 915972200 IPHJWPQZTGLGSM-UHFFFAOYSA-N 294.276 3.535 30 20 CHED C[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCCC1 591315872 KLMHWWODFUUICL-ACJLOTCBSA-N 296.414 3.878 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 597174412 PZJGPJOVVSNJNW-LBPRGKRZSA-N 272.323 3.698 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C(/C)CC 831458457 PAFSGAUMGRIDPF-PTNGSMBKSA-N 257.377 3.948 30 20 CHED C=C(CNC(=O)CCOc1cccc(C)c1)c1ccccc1 672479607 CFFGIWZUAJEQKZ-UHFFFAOYSA-N 295.382 3.594 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1C)C2 747439534 CWYRGALTBJVSPH-RIYZIHGNSA-N 282.314 3.965 30 20 CHED CC(C)CC[C@H]1CCC(=NOC[C@@H]2CCOC2)C1 834973576 PEYMFNOCTPSKTA-UONOGXRCSA-N 253.386 3.632 30 20 CHED CC[C@@H](C)CC=NNc1cccc(C(F)(F)F)n1 834958692 BVNQZOLDASPEFP-SECBINFHSA-N 259.275 3.934 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3nc4ccccc4o3)C2)C1 590166072 OGDGFOJPIXYLEO-QLFBSQMISA-N 295.386 3.699 30 20 CHED COc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c(F)c1 748679176 BTVFWCRIEMDPPW-NSHDSACASA-N 299.301 3.624 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CCCC2(C)C)o1 749855172 FYNZSLOMWOZWEC-UHFFFAOYSA-N 274.368 3.723 30 20 CHED Cc1ccccc1[C@@H]1CN([C@@H](C#N)c2ccccc2)CCO1 595325608 KHHDZVNBPVJZNS-OALUTQOASA-N 292.382 3.633 30 20 CHED N#Cc1ccccc1OCCN1CC[C@@H]1c1ccc(F)cc1 595702237 HTRGQYQIBFSFQQ-QGZVFWFLSA-N 296.345 3.523 30 20 CHED CCC(CC)N(C(=O)/C=C/c1ccccc1C#N)C1CC1 916052686 JRMUWXJSEMMWOW-FMIVXFBMSA-N 282.387 3.751 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(COC2CCCC2)cc1 593483055 YIPBRSXXWQVVAO-CQSZACIVSA-N 286.375 3.634 30 20 CHED C#CCN(C(=O)N[C@H]1CCCC[C@@H]1CC)C1CCCCC1 744844690 SUTJRZHEAAAGQR-RDJZCZTQSA-N 290.451 3.933 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]2C2CCC2)n1 845480620 JHMBPNNXWVZHOC-YNEHKIRRSA-N 288.416 3.879 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@](C)(C#N)C1 591777986 ZSMLUPFBTVCMQA-QFBILLFUSA-N 298.430 3.716 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2c1cccc(-n2cccn2)c1C#N 596537245 DVAVRJXCZAHOPW-GOOCMWNKSA-N 292.386 3.511 30 20 CHED O=C1/C(=C/C=C\c2ccccc2)Cc2c(O)cccc21 746684831 VHQXCGGHYFZYRM-IJTNGVFDSA-N 262.308 3.771 30 20 CHED CCC(C#N)(CC)c1nc([C@H]2CCCCS2)no1 599153286 UDNFYDOQBSHHIC-SNVBAGLBSA-N 265.382 3.609 30 20 CHED N#Cc1ccc(CCN[C@H]2CCCNc3ccccc32)cc1 595056273 UCCRGBHBTVQILX-IBGZPJMESA-N 291.398 3.637 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(OC2CCCC2)cc1 590038178 ILIOJOUEJZSNML-UHFFFAOYSA-N 298.386 3.550 30 20 CHED C[C@@H]1CC[C@@H](CCC(=O)O[C@H](C)c2cccc(C#N)c2)O1 744102243 QLKKWBVJFKOLSS-IOASZLSFSA-N 287.359 3.510 30 20 CHED C#CCN(Cn1cc(-c2ccccc2)cn1)C1CCCCC1 744154058 XFIOAFRKUWJGRR-UHFFFAOYSA-N 293.414 3.776 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1cncnc1C 848412321 NPJKWQOCDKKFBN-UHFFFAOYSA-N 268.364 3.745 30 20 CHED COc1ccc(CCNN=C/C=C\c2ccc(F)cc2)cc1 747750410 TWJFRMSJDNSCTA-ASHJWWGWSA-N 298.361 3.666 30 20 CHED Cc1cccc(C)c1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593943755 ZOJPZMYDHQPUIC-OAHLLOKOSA-N 292.382 3.992 30 20 CHED Cc1csc(NC(=O)NCCSC(C)(C)C)c1C#N 847186143 ZXSOFKVHPQNHTB-UHFFFAOYSA-N 297.449 3.581 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 595639754 BLDHEMDMGQCHEB-ARFHVFGLSA-N 291.439 3.538 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1c(C3CC3)cnn1C)C2=O 849250498 UUHZAFJPIKPEOB-KMHUVPDISA-N 292.382 3.989 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)C1 748686662 ZOTGKYUVBOEGTM-XJKCOSOUSA-N 271.360 3.989 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1cc2cc(F)ccc2o1 741844789 SUDIHHSIZPOTPA-SNAWJCMRSA-N 284.290 3.510 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC(Cc2cccnc2)CC1 595406925 CXYJQJAAAJJJBV-IBGZPJMESA-N 291.398 3.601 30 20 CHED CCc1oc2ccccc2c1C=NOCc1cc(C)no1 749614524 CDFBVINPYLSQBN-UHFFFAOYSA-N 284.315 3.842 30 20 CHED C#CC1CCN(C(=O)C[C@@H](C)c2ccc(CC)cc2)CC1 843706262 OOTVFXLGNTWUIE-OAHLLOKOSA-N 283.415 3.614 30 20 CHED CC(=O)Nc1cc(N[C@H](C)CC(C)(C)C#N)ccc1F 925981596 DCEHQWJTYYJZIV-SNVBAGLBSA-N 277.343 3.524 30 20 CHED CC#CCCCc1nc(-c2ncccc2SCC)no1 924414962 LCXDAAUHHXENBO-UHFFFAOYSA-N 287.388 3.590 30 20 CHED C=C[C@@H](C)ONC(=O)NC1(c2ccc(Cl)cc2)CCC1 845618416 WOMAMKDQFQTRPJ-LLVKDONJSA-N 294.782 3.525 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2ccoc2C)c1 840897116 JOGYSQVVKKDPBQ-INIZCTEOSA-N 284.359 3.559 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N(C)Cc1cccc(C#N)c1 929946328 JERIUENVZJHNSJ-HNNXBMFYSA-N 292.382 3.629 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)c(F)c1 756261443 QBPQVOUXBRXZMB-CLTKARDFSA-N 299.276 3.741 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)SCCCC)c1ccccc1 757576561 DTODONWOSIUQOF-GDBMZVCRSA-N 289.444 3.789 30 20 CHED COc1ccc(NN=Cc2ccc(Cl)cc2)cc1 750946795 ZYBGCGJNZSMYHK-UHFFFAOYSA-N 260.724 3.795 30 20 CHED C=CCC(F)(F)C(=O)N1CCc2ccc(C(C)C)cc2C1 855381677 GPLMBIGCSAQDFW-UHFFFAOYSA-N 293.357 3.906 30 20 CHED C#CCCCC(=O)Nc1cc(C)c(Br)c(C)c1 758071716 CKVUVIQQFVAELK-UHFFFAOYSA-N 294.192 3.808 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1C)CO2 750907637 YIKFUVYMZCKZRR-JYRVWZFOSA-N 298.313 3.801 30 20 CHED CCOC1CCC(=NN[C@@H]2CCc3c(F)cccc32)CC1 853356728 XREITYPJZCFZHZ-LRHAYUFXSA-N 290.382 3.738 30 20 CHED C=CCCC(C)(C)NC(=O)OCc1cccc(OC)c1 859230065 REXZPSMPQZVRNU-UHFFFAOYSA-N 277.364 3.666 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851205343 FGURONQPRKRKLT-TYNCELHUSA-N 251.370 3.540 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1coc2ccccc12 926627760 QLVSEZJWWURREU-GFCCVEGCSA-N 254.333 3.777 30 20 CHED C[C@H](CC#N)NC(=O)c1sccc1-c1ccc(F)cc1 751392411 IPAYBKUBWICLEB-SNVBAGLBSA-N 288.347 3.586 30 20 CHED CC(=NNc1ncc(Cl)cn1)[C@@H]1C[C@H]2C=C[C@H]1CC2 857221257 WRMTXDQRJONOPT-GVXVVHGQSA-N 276.771 3.520 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(Br)cc1C 55120267 CBYFFFMEEYNMAE-UHFFFAOYSA-N 294.192 3.572 30 20 CHED C=CCCC(CC)=NNc1cncc(Br)c1 758116946 FPQYHUOTVOQCNZ-UHFFFAOYSA-N 282.185 3.988 30 20 CHED C#CCCCCNC(=O)/C(C)=C/c1ccccc1Cl 755966416 HDWKRZGSASYOEP-OUKQBFOZSA-N 275.779 3.663 30 20 CHED COc1cc(C)c(C=NNc2ccc(F)cc2)cc1OC 751515939 BOFYHAORGILYQR-UHFFFAOYSA-N 288.322 3.597 30 20 CHED Cc1noc(C)c1[C@@H](C)CC(=O)O[C@@H](C)CC(C)(C)C#N 851207995 LSTZWKSTMSUVSZ-QWRGUYRKSA-N 292.379 3.657 30 20 CHED C#CC[C@H](NC(=O)N(CC1CC1)CC1CC1)c1ccccc1 757058679 RQMSKZGGTIOYJK-SFHVURJKSA-N 296.414 3.583 30 20 CHED C[C@H]1CN(C(=O)Nc2sccc2C#N)Cc2ccccc21 931831764 QBPGVAJWEGNRFW-NSHDSACASA-N 297.383 3.771 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CC23CCC3)C(C)C)c1 759791082 PXPXFBFOZMQXFV-INIZCTEOSA-N 267.372 3.600 30 20 CHED CCCCC[C@H](/N=C\c1cc(Cl)ccc1O)C(=O)OC 751889471 BUGOWFYVRDDYCH-NWRYFCBHSA-N 297.782 3.586 30 20 CHED C#CCCCOC(=O)[C@@H](C)c1ccc2ccccc2c1 753399588 GPWSKJKTKFXUHV-AWEZNQCLSA-N 266.340 3.900 30 20 CHED C/C(=C/C(=O)N1CCCC(C)(C)[C@H]1C#N)c1cccs1 857195312 UMWFFNPMXSQQBD-GAJOTYCWSA-N 288.416 3.692 30 20 CHED Cc1cc(F)ccc1NN=Cc1cc(F)ccc1F 750938532 KGMSEKONFKJSHP-UHFFFAOYSA-N 264.250 3.858 30 20 CHED Cc1cccc(/C=C\C(=O)c2cc(O)ccc2O)c1C 757467637 HWIUKYPPNAWAPZ-VURMDHGXSA-N 268.312 3.611 30 20 CHED C=C(Br)CNc1ccnc2cc(OC)ccc12 765474218 MLQSDKUKMIWFSW-UHFFFAOYSA-N 293.164 3.564 30 20 CHED C=CCC[C@H](OC(=O)c1cn2cc(C)ccc2n1)C1CC1 860621402 JJTIPISTVBBGQW-HNNXBMFYSA-N 284.359 3.544 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)OCCCCC(C)(C)C#N 768850157 YGIBQJBCJQVTIJ-QWHCGFSZSA-N 253.386 3.932 30 20 CHED Cc1ccc(C)c(NN=Cc2cn(C)nc2C(C)(C)C)c1 769567473 AHTJLRWZHHGOMI-UHFFFAOYSA-N 284.407 3.780 30 20 CHED CCCn1cc(/C=C\C(=O)c2cc(C)c(C)cc2C)nn1 865215082 IXNBGCGLSNWGSB-SREVYHEPSA-N 283.375 3.509 30 20 CHED C=CC[C@@H]1N(C(=O)c2ncc(C)cc2C)CCCC1(C)C 767230775 ZIJGOOSLJWPESM-HNNXBMFYSA-N 286.419 3.905 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NOCC(F)(F)F 766714036 UODHNCSHMRIEMZ-VIFPVBQESA-N 257.255 3.785 30 20 CHED CC1(c2ccccc2)CCC(=NNc2ncccn2)CC1 766691631 PRXGOIFSSHGCEQ-UHFFFAOYSA-N 280.375 3.776 30 20 CHED C#CCCN1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 760846462 GYMNAXBRNOSEBI-FQEVSTJZSA-N 291.394 3.818 30 20 CHED C[C@H](COC(=O)c1ccc(C#N)[nH]1)c1cccc(Cl)c1 764692371 MSAKTGMRIPOIOD-SNVBAGLBSA-N 288.734 3.500 30 20 CHED C#CCCCNc1ccc(C(=O)NC2CCCCC2)cc1 766727081 YFSFHBBDSFFKLW-UHFFFAOYSA-N 284.403 3.574 30 20 CHED C#CCCc1noc([C@H](Cc2ccccc2)C(C)C)n1 762014342 NJVKKJALYNTPGY-OAHLLOKOSA-N 268.360 3.618 30 20 CHED C#C[C@H](CC)OC(=O)c1cnc(-c2ccc(C)cc2C)s1 768046676 GPDAJEDXPZGDSU-CYBMUJFWSA-N 299.395 3.996 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1ccc(F)c([N+](=O)[O-])c1 769821936 KQFKWZGBIGJSDS-JTQLQIEISA-N 299.305 3.742 30 20 CHED CC(C)CC[C@H]1CCCN1Cc1ccc(OCC#N)cc1 767904958 CZSKOWIVYBUJRE-QGZVFWFLSA-N 286.419 3.990 30 20 CHED O=C(/C=C/c1csc(Cl)c1Cl)c1cnccn1 761477123 LTTBOSUZLLUPMY-OWOJBTEDSA-N 285.155 3.741 30 20 CHED Cc1cc(C)c(C=NOCCC(F)(F)F)cc1C 777459377 JCRFWWSRBPKDAI-UHFFFAOYSA-N 259.271 3.915 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1ccnc(Cl)c1 779459923 IPILBWPSLYCGMJ-ZZXKWVIFSA-N 261.683 3.770 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)s1 774118377 HRXGCQDAOOGWPS-VURMDHGXSA-N 286.352 3.905 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cccc(F)c1 777907643 YPVPXDAYLSRHSJ-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1cnn(C)c1C 778533607 GTYVKMWHASRZNY-UHFFFAOYSA-N 296.296 3.583 30 20 CHED Cc1cccc(NN=Cc2nc(-c3ccccc3)c[nH]2)c1 1116023397 GCKJXWPUUWCJNM-UHFFFAOYSA-N 276.343 3.831 30 20 CHED O=C(O)c1cccc(/C=C2/Cc3ccc(Cl)cc3C2=O)c1 774134538 LFALUYQPOCNXRG-QPEQYQDCSA-N 298.725 3.861 30 20 CHED c1ccc2c(NN=C3CCCOCC3)cccc2c1 770602207 LEKWLFPBNWTKTJ-UHFFFAOYSA-N 254.333 3.808 30 20 CHED CC(=NOCCC(F)(F)F)c1cc(C)ccc1C 777461295 WQBHYOZBEMUCRY-UHFFFAOYSA-N 259.271 3.996 30 20 CHED Cc1ccc(F)cc1C=NNCc1ccc(Cl)cc1 777887305 FSAJCLWTPXVSDE-UHFFFAOYSA-N 276.742 3.911 30 20 CHED C=C(CC)COC(=O)[C@H](C)OC1CCCCCC1 773536596 TZNSCNYIEGMHSR-ZDUSSCGKSA-N 254.370 3.624 30 20 CHED COc1cc(F)cc(NN=CCCc2ccc(C)nc2)c1 774387674 JAYTXSQFIISMEI-UHFFFAOYSA-N 287.338 3.568 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccccc1OC1CCC1 776387534 XSYOASHZYJUBEA-UHFFFAOYSA-N 287.359 3.715 30 20 CHED Cc1cc(C(=O)N(c2cccc(C#N)c2)C2CCC2)c(C)o1 953069632 SAMJRNPPTDDVFV-UHFFFAOYSA-N 294.354 3.967 30 20 CHED C[C@H](OC(=O)c1cc(C#N)ccn1)c1cc2ccccc2o1 1128109127 IVTPHKYKUFNDSY-NSHDSACASA-N 292.294 3.617 30 20 CHED C=CC[C@H](C(=O)OCc1ccc(F)cn1)c1ccccc1 787802589 PIBWMZRWOWAXMG-INIZCTEOSA-N 285.318 3.624 30 20 CHED Cc1cc(C=NNc2cc(Cl)ccn2)cc(Cl)n1 788724638 BKSCTKBNGYNCKZ-UHFFFAOYSA-N 281.146 3.538 30 20 CHED COc1ccc(CCNN=Cc2sccc2Cl)cc1 782233323 VZPFEONNULKEOR-UHFFFAOYSA-N 294.807 3.576 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(Cl)s2)c(C2CC2)n1 899336315 SEAGZPFHCAUDHJ-PLNGDYQASA-N 292.791 3.909 30 20 CHED C#Cc1cccc(N[C@@H](C)CC(=O)Nc2cccc(C)c2)c1 784662800 KMWWAIQGQKCQFO-HNNXBMFYSA-N 292.382 3.806 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2ccc(Cl)cn2)CC1 897493067 QFAWOISBGONOPS-LLVKDONJSA-N 278.783 3.659 30 20 CHED CC(C)CCCCCCNC(=O)N1CCC(CC#N)CC1 781920252 GWHFLZPTVWGJRV-UHFFFAOYSA-N 293.455 3.928 30 20 CHED C#C[C@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(C)C 799048545 NNNOHPOFUMIVTC-SJORKVTESA-N 271.404 3.590 30 20 CHED C=CCCCCCOC(=O)C1(OCC)CCCC1 792822727 CYAWWYBOANFKRN-UHFFFAOYSA-N 254.370 3.625 30 20 CHED C=CCC(C)(C)C(=O)O[C@H]1CCOc2cc(F)ccc21 797083121 KEPJGKAYVCFSMD-ZDUSSCGKSA-N 278.323 3.795 30 20 CHED Cc1cc(NCC2(CC#N)CC2)c(Cl)cc1[N+](=O)[O-] 797437568 MQTVNBDAZGPOMD-UHFFFAOYSA-N 279.727 3.662 30 20 CHED Cc1ccc(C(=O)Nc2cccc(F)c2C)cc1C#N 799345173 UMGDDAPQWPLHKX-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1ccc2cc(C=NNc3cccc(F)n3)ccc2n1 795007056 XQVAJVORGIRBDV-UHFFFAOYSA-N 280.306 3.523 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1sccc1C#N)CC2 1207294384 XGHZPHHOEFAKBM-UHFFFAOYSA-N 283.356 3.523 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNC(=S)Nc1ccccn1 797402257 XSCMRAPXVWPPSM-VXGBXAGGSA-N 290.436 3.570 30 20 CHED CCCCCCCCN1CCC(O[C@@H]2CCOC2)CC1 748832773 NKXWKBYWQANACM-QGZVFWFLSA-N 283.456 3.617 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1ccnc(F)c1 794722649 RVCKRAAHEQQWCH-GQCTYLIASA-N 278.286 3.665 30 20 CHED CC(Cc1ccsc1)=NNc1cccc(Cl)n1 793163949 OEQAFLNIIZAQCM-UHFFFAOYSA-N 265.769 3.827 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)COc2cc(F)ccc21 794726580 CESOFKMFJIFFAA-POHAHGRESA-N 290.240 3.763 30 20 CHED COCCCON=C1CC=C(c2ccc(F)cc2)CC1 795050964 JULCIJAETBOAQJ-UHFFFAOYSA-N 277.339 3.802 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(F)ccc(O)c2F)c(O)c1 794941775 XNUDVWLWAVAQEC-GQCTYLIASA-N 290.265 3.581 30 20 CHED CCCCCCCC(=O)N1CCCC[C@@H]1CCC(=O)O 88359225 BZGCKQVCBPBHHS-CQSZACIVSA-N 283.412 3.593 30 20 CHED CC[C@@H](C)Oc1cccc(NCc2ccc(C#N)cc2)n1 1308497801 RONQFKZBAQAAIP-CYBMUJFWSA-N 281.359 3.743 30 20 CHED CSc1ccc(C)c(C(=O)OCc2cccc(C#N)c2)c1 1317777809 QMZZKSHEMVXOBB-UHFFFAOYSA-N 297.379 3.946 30 20 CHED COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)ccc1F 1319686455 LGGQHIRNMRNDEW-RIYZIHGNSA-N 282.314 3.965 30 20 CHED CS[C@H]1CC[C@H](N(C)CC(C)(C)CCC#N)C1 1319719380 ZUXDRVHAQQMJGX-STQMWFEESA-N 254.443 3.532 30 20 CHED CC(C)[C@@]1(C)C[C@H]1c1nnc(-c2ccc(C#N)cc2)o1 1326987491 NHRBQSFZVRHJBA-XJKSGUPXSA-N 267.332 3.758 30 20 CHED COc1ccc2c(c1)CC[C@@H]2Nc1ccc(OCC#N)cc1 1329305729 DKTGEFWKXCWNNU-SFHVURJKSA-N 294.354 3.697 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NC1(C)CC1 1339257588 BPIZVFOGNBRPAO-ZDUSSCGKSA-N 254.418 3.835 30 20 CHED N#CC1(CSc2nc3cc(F)ccc3s2)CC1 1332322154 FOMAAPFQXLQHEI-UHFFFAOYSA-N 264.350 3.831 30 20 CHED N#Cc1ccc(-c2nnc(CCCc3ccccc3)o2)cc1 1257746313 CDZXUVSILTZEJK-UHFFFAOYSA-N 289.338 3.784 30 20 CHED N#Cc1cccc(-c2nnc(-c3cc4ccccn4c3)o2)c1 1345953086 WSAPHZFSIKBKSK-UHFFFAOYSA-N 286.294 3.528 30 20 CHED C=CCCCc1nnc(CCCc2ccccc2)o1 1346625963 JAKSYLRIOANHBP-UHFFFAOYSA-N 256.349 3.754 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(Cl)ccc2nonc12 1261140339 PFWHZHTVMMJPEN-UHFFFAOYSA-N 291.738 3.583 30 20 CHED C=C(CC)C(=O)NCCc1csc2ccccc12 1346191231 ZPWIUTYYUJUAMQ-UHFFFAOYSA-N 259.374 3.526 30 20 CHED C=C[C@H](C(=O)N1C[C@H](C2CC2)[C@H]1C1CC1)c1ccccc1 1352273920 WKCANZNQAUVEJD-RCCFBDPRSA-N 281.399 3.603 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1cc(Cl)ccc1F 1435799882 RYFFWERMDHMALJ-SNVBAGLBSA-N 296.773 3.986 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1457764206 UBIMSBYSNMWIAG-INWMFGNUSA-N 271.360 3.989 30 20 CHED C[C@@H]1CCC(C)(C)N1Cc1ccc(C#N)cc1OC(F)F 1460230263 ILKCSFXCPVHPKM-LLVKDONJSA-N 294.345 3.923 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 1467664212 AEPFFNJAJIPWAF-ZDUSSCGKSA-N 295.342 3.671 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)c2cc(C#N)ccn2)CC(C)(C)C1 1538743017 BYOMHBLLSGXIDZ-KGLIPLIRSA-N 299.418 3.536 30 20 CHED C#CCSCCN[C@H](C)c1ccc2ccccc2c1 226326392 HACYWENHGNIRHB-CQSZACIVSA-N 269.413 3.857 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1462286719 ZCZBKFZWIJHKNR-JQWIXIFHSA-N 292.329 3.991 30 20 CHED N#Cc1ccc2nc(NC(=O)C3CCCCCCC3)[nH]c2c1 1530615501 SEAFQZMJQYBCAL-UHFFFAOYSA-N 296.374 3.734 30 20 CHED CC[C@H](OC(=O)C(C)(C)C#N)c1cccc(Cl)c1 1537751173 QROXXJUDGBUZIW-LBPRGKRZSA-N 265.740 3.884 30 20 CHED CC1(C)CCC[C@@H](NC(=O)[C@H](CC#N)c2ccccc2)C1 1537492585 KXJSJWIRWCBRFJ-HZPDHXFCSA-N 284.403 3.769 30 20 CHED Cc1ccc2nc(NC(=O)c3csc(C#N)c3)sc2c1 1530216395 MXFYBMXDOFHNKU-UHFFFAOYSA-N 299.380 3.790 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2ccsc2Cl)c1 1610866496 VAEACJABFQTHRF-OWOJBTEDSA-N 282.704 3.589 30 20 CHED CCC1(C)CCN(CCc2ccc(C#N)cc2)CC1 1473134932 KMWGTIBXRICORQ-UHFFFAOYSA-N 256.393 3.613 30 20 CHED CC(F)(F)c1ccc(CNc2ncc(C#N)cc2F)cc1 1612432187 CJHONSRHLWDBJI-UHFFFAOYSA-N 291.276 3.816 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](CC#N)c1ccccc1 1540015829 JFMLRLUYQQZNPJ-INIZCTEOSA-N 289.338 3.503 30 20 CHED C[C@H]1CCCC[C@H]1Nc1ncc(C#N)cc1Br 1611725242 XESDPWLBIDKMMO-JOYOIKCWSA-N 294.196 3.706 30 20 CHED COc1ccc(COc2nc(C(C)(C)C)ccc2C#N)cc1 1644025026 FFDIUTHRRJTQBV-UHFFFAOYSA-N 296.370 3.838 30 20 CHED N#Cc1ccc(CSc2nc3ccccc3[nH]2)s1 1640665268 BPUWVWGWXCMQJL-UHFFFAOYSA-N 271.370 3.788 30 20 CHED N#Cc1cccnc1NC[C@@H]1CCC[C@H]1c1ccccc1 1655509923 YFEXXAQXKFSOFH-IRXDYDNUSA-N 277.371 3.949 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H](C)C1CCCCC1 1653419943 HBICCBBVHZVPEX-CQSZACIVSA-N 286.419 3.967 30 20 CHED CSc1cc(C)ccc1NC(=O)c1ccc(C#N)cc1 1584047138 SOPVBADNQVFNNW-UHFFFAOYSA-N 282.368 3.841 30 20 CHED CC(C)(Cc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1588159685 VLEBBJNZHHTAFO-UHFFFAOYSA-N 296.345 3.905 30 20 CHED N#Cc1ccc(COc2ccc(C#N)c(Cl)c2)s1 1651933764 MJNTUEVVTNUESI-UHFFFAOYSA-N 274.732 3.724 30 20 CHED CC(C)c1ccc2c(c1)CN(Cc1cc(C#N)ccn1)CC2 1654997235 QMDVRXBRKRUFJW-UHFFFAOYSA-N 291.398 3.635 30 20 CHED N#Cc1ccc(CCSc2nc3cnccc3s2)cc1 1652957319 AUJBUEKNMQSKOB-UHFFFAOYSA-N 297.408 3.898 30 20 CHED C=CC[C@H](SCc1cc(C)ccc1C)C(=O)O 1588758228 FFKMCVCMSVAQOU-ZDUSSCGKSA-N 250.363 3.566 30 20 CHED CO[C@@H](CNc1ccc(Cl)c(C#N)n1)C1CCCCC1 1655711705 URZMHBBNAGWTOK-AWEZNQCLSA-N 293.798 3.614 30 20 CHED CCCC[C@@H](SCc1ccc(C#N)cc1C)C(=O)O 1595657619 OUEHQQKTSNACOW-CQSZACIVSA-N 277.389 3.743 30 20 CHED C[C@H](CNC(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1672120679 AOVBXPZBCKNFKU-GFCCVEGCSA-N 297.333 3.623 30 20 CHED O=C(O)c1ccc(NN=CCC2CCCCC2)cc1F 1776075636 UYDZLBZWCMKJOJ-UHFFFAOYSA-N 278.327 3.892 30 20 CHED C=CCOc1ccc(CNc2cccc(C#N)c2)cc1OC 161161520 KHYLJTAVTDZFRJ-UHFFFAOYSA-N 294.354 3.744 30 20 CHED C[C@@H](CC1CCOCC1)Nc1ccccc1O[C@@H](C)C#N 162270048 TZODPRVKOIQDJU-KBPBESRZSA-N 288.391 3.595 30 20 CHED C=C(Cl)CNC1CC(c2cccc(Cl)c2)C1 164038402 QWNMSIWJEASBJG-UHFFFAOYSA-N 256.176 3.928 30 20 CHED CC#CCCN1CC[C@H](CSc2ccccc2)C1 155826104 ISISFJXECBMFRH-HNNXBMFYSA-N 259.418 3.514 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCCC1(C)C 156707494 ZVZYOUDFPBSSFK-MRXNPFEDSA-N 299.418 3.668 30 20 CHED CCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 6410622 ORHQOZFGNLRQAQ-SDNWHVSQSA-N 280.323 3.744 30 20 CHED N#CCSCC(=O)Nc1ccc(Nc2ccccc2)cc1 32966371 MUMLVOFJSKTFDV-UHFFFAOYSA-N 297.383 3.625 30 20 CHED CCCCCCCCN1CCN(CC(C)C)CC1 915223794 JIZISHXSPLJXKF-UHFFFAOYSA-N 254.462 3.621 30 20 CHED C[C@H](NCc1cccc(Cl)c1O)c1ccc(C#N)cc1 158094163 GBFPUQDEIVVWCY-NSHDSACASA-N 286.762 3.768 30 20 CHED CCCCCCCCNC1CCN(CC(F)(F)F)CC1 159152129 WZZKHJYGAKOMCF-UHFFFAOYSA-N 294.405 3.963 30 20 CHED CCOc1ccc(OCc2ccc(C#N)cc2C)cc1 165535981 DNGDQQJZVYISKV-UHFFFAOYSA-N 267.328 3.844 30 20 CHED 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30 20 CHED CC(C)c1ccc(CN(C)CCCSCC#N)cc1 74981453 QNJXWEDYPIIDBP-UHFFFAOYSA-N 276.449 3.889 30 20 CHED CC(C)(C)C[C@@H](NC(=O)C1(C#N)CCCC1)C(F)(F)F 180491803 FRRAYZBFRQIYEA-SNVBAGLBSA-N 290.329 3.554 30 20 CHED CCC[C@H](NCCCSCC#N)c1ccccc1 181786636 DJJGBQILTVNGGI-HNNXBMFYSA-N 262.422 3.764 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 128687468 PNOFKAAAIDWUSV-UWVGGRQHSA-N 286.297 3.640 30 20 CHED C=CCCCOc1ccc(I)cc1 70592613 ITMQSICEQQMNSG-UHFFFAOYSA-N 288.128 3.636 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2cnn(C(C)(C)C)c2)cc1 183401104 VUZJVHYOBPQLSS-CQSZACIVSA-N 297.402 3.823 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C(C)C)on1 122604500 FGNFEPRWPGFMJM-UHFFFAOYSA-N 264.369 3.616 30 20 CHED C=C[C@H](CC(=O)N[C@H]1C=CCCC1)c1ccccc1 127018096 NADPATGRICEZHV-ZBFHGGJFSA-N 255.361 3.571 30 20 CHED C=CCN(C(=O)c1cc(C(C)C)no1)c1ccccc1 70767156 BMVXPGRZPMHXKG-UHFFFAOYSA-N 270.332 3.631 30 20 CHED CCC1(CC)CN(Cc2ccc(C#N)c(F)c2)CCS1 483735860 YPIBSMIADUMNEJ-UHFFFAOYSA-N 292.423 3.805 30 20 CHED 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C=CCNC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 48979446 KGNXKUUBKVXOBT-GFCCVEGCSA-N 272.348 3.711 30 20 CHED Cc1csc([C@H](N[C@@H]2CCC[C@H](C#N)C2)C2CC2)n1 192902307 KFRYZAUQXRSDMV-IACUBPJLSA-N 275.421 3.575 30 20 CHED C[C@H](COc1cccc(F)c1)Nc1ccc(C#N)cc1 513697723 QWMWQEDVXXUOQA-GFCCVEGCSA-N 270.307 3.577 30 20 CHED C=CCCC(=O)N1CC(C)(C)Sc2ccccc21 88240758 OQGWPKYUBQUABL-UHFFFAOYSA-N 261.390 3.870 30 20 CHED C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)C(C)(C)C#N 131186314 XUMVMRQEDVSMDW-CYBMUJFWSA-N 282.343 3.572 30 20 CHED COc1ccc(CN2CCC[C@H]2c2cccs2)cc1C#N 134954137 YVWWLVHDXCUMGK-HNNXBMFYSA-N 298.411 3.965 30 20 CHED C=CCN(C(=O)CCCCSC)c1ccccc1 132833098 VEHMOUMQPPSZJZ-UHFFFAOYSA-N 263.406 3.739 30 20 CHED O/C(COc1cccnc1)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 328902298 GLJVSFQMMPSQJP-RRFJBIMHSA-N 288.391 3.776 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](C)CC 512506726 PDTPVKPSIIHYIE-OAHLLOKOSA-N 263.429 3.888 30 20 CHED CC1(C)CCC([S@](=O)Cc2ccccc2C#N)CC1 339149697 LFHMAQNVGAELIM-LJQANCHMSA-N 275.417 3.776 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H]2CC[C@H](C)C2)c1C#N 428669831 KQUMZJZKNWPSTN-GXSJLCMTSA-N 263.772 3.540 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)[C@H]1CCCC[C@@H]1C 334573865 WPRXHFYXPHNWAX-NHYWBVRUSA-N 274.364 3.501 30 20 CHED C=CC[C@@H](C(=O)N1CCSCC[C@@H]1C)c1ccccc1 192354882 PQPGHSJNTOVTFN-GOEBONIOSA-N 289.444 3.700 30 20 CHED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)(C)C#N 193675621 ORWMKOAKFOYCCI-UHFFFAOYSA-N 299.201 3.892 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CCCc2ccccc21 519071515 JSGLMKNLNDFRQG-WMLDXEAASA-N 287.403 3.504 30 20 CHED C=CCC[C@H](NC1CCC(CN)CC1)c1ccccc1 422997578 OKZSOPOLADTYON-VJFUWPCTSA-N 272.436 3.801 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CC(F)(F)F)C1 424894390 QNTWEPRDEGLJQO-NSHDSACASA-N 277.330 3.780 30 20 CHED C[C@H](N[C@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)cc1F 337551501 OTTUECPAUPVANX-QCZZGDTMSA-N 298.308 3.508 30 20 CHED N#CCc1ccc(NC(=O)N2CC[C@H](C3CCCC3)C2)cc1 333523111 KZRNSMKCFRVRHD-INIZCTEOSA-N 297.402 3.797 30 20 CHED CCN(C)C(O)=Nc1cnn(CCC(C)C)c1C(C)C 331112934 LYAUXGWBQZHZMS-UHFFFAOYSA-N 280.416 3.550 30 20 CHED CC1(C)CCCN(C(=O)NCC2CCC(C#N)CC2)CC1 332393706 XVHPRVWADBMVGD-UHFFFAOYSA-N 291.439 3.538 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCC[C@H](N)C1 420293108 XMVKZBRWLNVQHT-GWCFXTLKSA-N 297.324 3.506 30 20 CHED COc1ccccc1/C=C\C(=O)c1cccc(CN(C)C)c1 140498566 MXMZXWCUCVLEAP-QXMHVHEDSA-N 295.382 3.653 30 20 CHED C=C[C@H](C)NC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 425473706 YDNCOHLTLODLQR-DZGCQCFKSA-N 272.392 3.744 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(N(C)C)cc2)c1 141673291 IDVMTUOBBDUVJJ-XFXZXTDPSA-N 281.355 3.657 30 20 CHED Cc1cccc([N+](=O)[O-])c1/C(O)=N/C[C@@H]1CC[C@@H](C)C1 331088894 UEMLUXUVUDPNPI-ZYHUDNBSSA-N 276.336 3.644 30 20 CHED C=C(Br)CN[C@H](C)c1ccc(C)s1 49183186 NDBLAQPOWJZDKZ-SECBINFHSA-N 260.200 3.616 30 20 CHED C[C@H]1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)C1 336074833 NTZKXIGFURXQOU-BBRMVZONSA-N 284.403 3.748 30 20 CHED CC[C@@H](/N=C(/O)Nc1cc(C)ccc1C)C1CCOCC1 330979453 PBADNMDTLJLGSW-OAHLLOKOSA-N 290.407 3.835 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C1CCCC1 335190936 IAMBSLYGSRGKNG-UHFFFAOYSA-N 262.740 3.535 30 20 CHED COc1cc(CN2CC3(CCC3)[C@H]2C(C)C)ccc1C#N 430098899 KOXIVAGCMRDLAO-QGZVFWFLSA-N 284.403 3.577 30 20 CHED O/C(=N/[C@@H]1CCCc2c[nH]nc21)[C@@H]1C[C@H]1C1CCCCC1 330135590 SRLHHRFNNOPSRK-RRFJBIMHSA-N 287.407 3.960 30 20 CHED Cc1nc(N2CC(C)(C)[C@@H]2C(C)C)c(Cl)cc1C#N 431507516 SZHWAHMAXSSPGQ-ZDUSSCGKSA-N 277.799 3.786 30 20 CHED N#CCCN(Cc1nc(-c2ccccc2)cs1)CC1CC1 93091404 SZWVOFQEQMCTON-UHFFFAOYSA-N 297.427 3.936 30 20 CHED CC(C)c1ncsc1NC(=O)C1(C#N)CCCCC1 334754975 ACMOLBDXKSNRCX-UHFFFAOYSA-N 277.393 3.679 30 20 CHED CC(C)(CCC#N)CN1CCO[C@H](c2ccccc2F)C1 92975463 RSFSSJQAEOJVEA-INIZCTEOSA-N 290.382 3.529 30 20 CHED CSc1c(F)cccc1C(=O)Nc1sccc1C#N 335685517 PEDFWMWYGBMSLK-UHFFFAOYSA-N 292.360 3.733 30 20 CHED N#Cc1cnc(N2CCC[C@H]2c2cccc(F)c2)c(F)c1 334585547 IMOGMXFWLWANDP-HNNXBMFYSA-N 285.297 3.573 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2snc(Cl)c2C#N)c1 92583404 QRHCXWRCZCDPNX-UHFFFAOYSA-N 295.707 3.677 30 20 CHED C[C@@H](c1cccnc1)N(C)CC#Cc1ccc(Cl)cc1 93227423 OFAHZIQSDACUIP-AWEZNQCLSA-N 284.790 3.780 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1OC(F)F)C1CC1 437414558 WGKBBCXZVLSTAA-UHFFFAOYSA-N 294.345 3.780 30 20 CHED CCOC1CC(CNc2cccc(OCCCC#N)c2)C1 349727971 AGBIGOXXZRKMBP-UHFFFAOYSA-N 288.391 3.596 30 20 CHED CCC(C#N)(CC)c1nc([C@@H]2CCCC[C@H]2C)no1 528130909 JNQNCYLUFZWYBG-VXGBXAGGSA-N 261.369 3.945 30 20 CHED C=CCCC1(c2nc(-c3ccc(O)c(F)c3)no2)CC1 436878582 KHGIUVBIAXPUEM-UHFFFAOYSA-N 274.295 3.579 30 20 CHED C[C@H](CCO)C1(CNc2ccc(Cl)cc2C#N)CCC1 342785495 LPWMHRXXCUFLIA-GFCCVEGCSA-N 292.810 3.812 30 20 CHED Cc1nsc(NCc2c(C)c3ccccc3n2C)c1C#N 343087938 XNDDCOSFXUTAPR-UHFFFAOYSA-N 296.399 3.735 30 20 CHED CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(Cl)c2)c1 432051592 VGCJXDCGZZDPEG-UHFFFAOYSA-N 299.761 3.530 30 20 CHED CS[C@H](CNCC(C)(C)CCC#N)C(C)(C)C 344323783 JQGPVMOJYOSCIO-GFCCVEGCSA-N 256.459 3.684 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 343564785 PGWRPJRBUFSNFO-JTQLQIEISA-N 268.282 3.660 30 20 CHED C=C(CNC(=O)[C@@H](C)c1cccs1)c1ccccc1 345703086 BSYHOUYIGOEAPW-ZDUSSCGKSA-N 271.385 3.681 30 20 CHED Cc1ccsc1-c1nnc(S[C@@H](C#N)C2CC2)o1 601077211 PFFFJWZPGCMRIG-VIFPVBQESA-N 277.374 3.501 30 20 CHED CC[C@@H](C)CCC(=O)Nc1cc(C#N)cn1C(C)(C)C 341434541 ABLBQARPKZGPOE-GFCCVEGCSA-N 275.396 3.880 30 20 CHED N#CCCN(Cc1ccccc1)Cc1ccccc1F 346802799 VEYUQRHKHHDKIG-UHFFFAOYSA-N 268.335 3.742 30 20 CHED N#CCCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 342640814 CXBVGYOHQOFRNC-MNOVXSKESA-N 297.185 3.517 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(CN(CC)CCC)cc1 342382276 WOKNXRGQQBQQCB-HNNXBMFYSA-N 288.435 3.613 30 20 CHED CSc1ccc(F)cc1CNc1cc(C)nc(C#N)c1 342791602 RUSBFSCDJLOMFH-UHFFFAOYSA-N 287.363 3.735 30 20 CHED Cc1ccsc1/C=C\C(=O)c1cccc(C#N)c1 255094177 YPDDGOAUBDQLFQ-WAYWQWQTSA-N 253.326 3.824 30 20 CHED C=C1CCN(Cc2ncc(Cl)cc2Cl)CC1 348121907 SDPDQBSFLDSBOM-UHFFFAOYSA-N 257.164 3.540 30 20 CHED C[C@H](C=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1 252617255 KPKLTYVCSMKXQN-GFCCVEGCSA-N 269.304 3.796 30 20 CHED Cc1ccc(C)c(C[S@](=O)Cc2ccc(CC#N)cc2)c1 342114262 CBUSHAVBDIXTFZ-OAQYLSRUSA-N 297.423 3.818 30 20 CHED CC(C)c1ccc(N=Cc2ccc(O)c(O)c2O)cc1 255172133 BYNFDXRAUURTOV-UHFFFAOYSA-N 271.316 3.677 30 20 CHED C=CCC(C)(C)c1noc(CSCc2cscn2)n1 340786307 CMQUYIUVLPPQAI-UHFFFAOYSA-N 295.433 3.813 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C)C(F)(F)F 345972067 CYFZABUDQUNZLP-SECBINFHSA-N 289.322 3.645 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)cc3cccnc23)CCCC1 603459704 RBOJOSFVERFYMG-UHFFFAOYSA-N 299.761 3.911 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCc2c(Cl)cccc21 602523534 ZIRRRDJBZLPLJR-ABAIWWIYSA-N 262.784 3.857 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3ccc(F)cc3F)n2c1 255145429 MXTIBTKVHVPZLF-XQRVVYSFSA-N 298.292 3.817 30 20 CHED C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CS1 602579554 AIQUDEJSIZVXOL-SNPRPXQTSA-N 260.406 3.515 30 20 CHED CN(Cc1ccccc1F)c1ccc(Cl)cc1C#N 52859640 KSFFRASSFFYHHF-UHFFFAOYSA-N 274.726 3.987 30 20 CHED CC#CCNC(=O)Nc1ccc2oc3ccccc3c2c1 525960273 VNQHMKYTNMJEDY-UHFFFAOYSA-N 278.311 3.731 30 20 CHED COc1cccc([C@H](C)NC2CCC(C)(C#N)CC2)c1 449086290 BVBKCKUDLWWAJL-KTAKPFMOSA-N 272.392 3.818 30 20 CHED C=C(CNCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 604532666 NTPVKNLPKSNMRV-UHFFFAOYSA-N 282.343 3.706 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)c1ccc(CC#N)cc1 533931806 UODZMEPSPQDBFY-QGZVFWFLSA-N 284.403 3.938 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1occ2c1CCC2 352641819 YOLMGSNWVQHCGI-UHFFFAOYSA-N 288.391 3.560 30 20 CHED Cc1ccc([C@@H](NC[C@@H](C)CCC#N)C2CC2)cc1 602509948 IIKRHDQLMMUSNJ-WMLDXEAASA-N 256.393 3.976 30 20 CHED C=CCSc1ccccc1C(=O)N(CC=C)CCC#N 359445913 LUCZWKOXKSRJNH-UHFFFAOYSA-N 286.400 3.507 30 20 CHED CCOCc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 447589734 YVKOCOOCGUNHSD-GOEBONIOSA-N 258.365 3.717 30 20 CHED C=CCCC1(C(=O)NCc2ccc(F)c(Cl)c2)CC1 355548938 URYPYNSPRAWWDT-UHFFFAOYSA-N 281.758 3.842 30 20 CHED N#CC1(CN2CCC[C@H](c3ccc(F)cc3)CC2)CC1 351199078 HGLGQIWHZZKVIJ-AWEZNQCLSA-N 272.367 3.699 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1ccncc1CC 537181385 VZAODCYRGRRLOH-KGLIPLIRSA-N 289.423 3.749 30 20 CHED C=CC[C@H]1N(Cc2ccn(C(F)F)n2)CCCC1(C)C 446856299 NCTJKOJMBOFOQU-CYBMUJFWSA-N 283.366 3.845 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1Cl 448677529 YLFTYVIKXOHZAC-BMIGLBTASA-N 292.766 3.615 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccsc1 351615516 NDDPIQHESUXVGD-UHFFFAOYSA-N 263.406 3.957 30 20 CHED C=C(CC)CNc1ccc(C(=O)N2CCCC2)cc1C 358658285 VOSVVXYLPYCXMC-UHFFFAOYSA-N 272.392 3.609 30 20 CHED C=CCN(C(=O)Nc1cccc(OCC(C)C)c1)C1CC1 537926601 AGLHTXYERBHAPF-UHFFFAOYSA-N 288.391 3.904 30 20 CHED C[C@H](SCc1ccc(F)cc1C#N)C(=O)OC(C)(C)C 610009240 XCIHLXUUWCWRHU-JTQLQIEISA-N 295.379 3.661 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCc2cc(C#N)ccc21 618802276 DELQXEMIZHGTIR-WBVHZDCISA-N 254.377 3.880 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 539926686 AXKAFIJKKOXVTJ-ONGXEEELSA-N 299.201 3.905 30 20 CHED C=CC1CCN(C(=O)Cc2coc3cc(F)ccc23)CC1 359148273 JHYMNYRHEXFZRN-UHFFFAOYSA-N 287.334 3.539 30 20 CHED Cc1cc(CSc2ncc3ccccn23)ccc1C#N 447312930 OWSVPEKCJAJJGP-UHFFFAOYSA-N 279.368 3.807 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2cccc(F)c2F)n1 352315370 NVNCBTPFPYYBSR-UHFFFAOYSA-N 287.313 3.503 30 20 CHED C=CCC[C@@H](NCc1ccc(C)c(OC)c1)C1CC1 533362211 SMSVAOGIPYWDJF-MRXNPFEDSA-N 259.393 3.838 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)C1 530604299 SZRFYKHLRGMPSG-DZGCQCFKSA-N 285.391 3.957 30 20 CHED Cc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)o1 618803367 IEHDSWJPOQGNRA-LRDDRELGSA-N 266.344 3.798 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc2oc3ccccc3c2c1 531291401 CMYWKTGLWWNHLR-SNVBAGLBSA-N 264.284 3.684 30 20 CHED N#Cc1ccc(NCCOc2ccc(F)cc2Cl)cc1 538754499 SMPDTMBTLVPTKH-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 539299342 XYBRMCBUHBNXKS-JQFCIGGWSA-N 293.838 3.750 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC)c(SC)c1 457911511 LMVOIHJUNCPZPN-UHFFFAOYSA-N 277.389 3.549 30 20 CHED N#CC1(CNC2(c3ccc(F)cc3F)CCC2)CCC1 450679275 JPEJVVSGNJDXFK-UHFFFAOYSA-N 276.330 3.627 30 20 CHED CN(C(=O)[C@@H]1CCCc2ccccc21)c1ccc(C#N)cc1 266243827 VNEZYJOITWCMQS-GOSISDBHSA-N 290.366 3.641 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CC12CCCC2 610471654 QRHWGMSQPYORDM-CYBMUJFWSA-N 285.391 3.634 30 20 CHED C=CCC1(C(=O)Nc2cc(C#N)ccc2NC)CCCC1 451610485 OKIAEXXESHRRSZ-UHFFFAOYSA-N 283.375 3.675 30 20 CHED CC(C)CC[C@@H](NC(=O)CCCC#N)C(C)(C)C 360203610 HOTQRKFGGKDTHL-CYBMUJFWSA-N 252.402 3.647 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H](C)c2c(C)noc2C)C1 617781795 UILWGJBKBCTAMP-IUODEOHRSA-N 290.407 3.600 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1c1cc(C)ccc1C 450127824 MYQVEHJLXGYDGM-NJAFHUGGSA-N 299.414 3.558 30 20 CHED C=C(CC)CN[C@H](c1ccc(Cl)cc1)c1nccn1C 453367285 PXWHWNNBPWTPSH-OAHLLOKOSA-N 289.810 3.719 30 20 CHED C=CCC[C@@H](N[C@H]1CCc2nc(C)ncc2C1)c1ccco1 367603292 YWPQVSOXNZZBEV-DOTOQJQBSA-N 297.402 3.532 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 612371244 ZMYULUKDKIGHFF-SFHVURJKSA-N 296.414 3.651 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 453304196 FJJKBSBDUKRROH-LBPRGKRZSA-N 292.379 3.856 30 20 CHED C[C@@H](NCC1Cc2ccccc2C1)c1ccc(C#N)cc1 540607913 VJLLZAHHEGOIIQ-CQSZACIVSA-N 276.383 3.624 30 20 CHED C=C(C)CCNC(=O)N(C)Cc1cccc(OC(C)C)c1 455331336 WQCJGFJKDVHYQM-UHFFFAOYSA-N 290.407 3.581 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1cccc(OC)c1 455528742 XGDFKZWBHSTFMG-MRXNPFEDSA-N 288.391 3.508 30 20 CHED Cc1ccsc1-c1nnc(S[C@H]2CC[C@H](C#N)C2)o1 278524006 HAJWUKOOWJBSJE-UWVGGRQHSA-N 291.401 3.891 30 20 CHED C=CCOCCN(C)[C@H](C)c1ccccc1Br 549398692 UKPHZSCXQXSVQH-GFCCVEGCSA-N 298.224 3.645 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc([C@H](C)C2CC2)no1 361272020 MJNGUFKOEVSNTA-MNOVXSKESA-N 267.332 3.607 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)CC1 456141985 ZLCVEIVGNBSYBA-NEPJUHHUSA-N 289.341 3.922 30 20 CHED C=CCSc1ccccc1C(=O)N(C)CCCC 362406629 YODSBNVOIJOAQF-UHFFFAOYSA-N 263.406 3.837 30 20 CHED C[C@H](NC(=O)N1CC2(CCCCC2)C1)c1ccc(C#N)cc1 274115806 ZVVJSZQXCOZJPA-AWEZNQCLSA-N 297.402 3.595 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)c1cccc(CC#N)c1 456301095 UEGRYSRDNCSPIX-IRXDYDNUSA-N 284.403 3.505 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cnc2ccccc2c1)OCC 270008429 DRUARIVZVIXSBR-INIZCTEOSA-N 284.359 3.545 30 20 CHED CCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H](O)c1ccccc1 279725842 VEAYJGBQXIVVIS-XOYOTBSWSA-N 286.419 3.561 30 20 CHED C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@H]2CCCC[C@@H]12 543908689 LYEIMMCKAIGCOX-DQYPLSBCSA-N 272.367 3.708 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)CC(C)(C)C1 542238934 RUTVLJHKQGXBAT-KBPBESRZSA-N 266.429 3.809 30 20 CHED COc1cc(-c2noc(C3(C#N)CCCCC3)n2)ccc1C 546281590 HSBGEHBKWYREKY-UHFFFAOYSA-N 297.358 3.779 30 20 CHED CC(C)(C)[C@H](NCc1ccc(C#N)cc1)C(F)(F)F 542775832 QUWGUEZJSMFVGR-LBPRGKRZSA-N 270.298 3.625 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1OCCCC 465158886 PBCHJDZTBLPILE-LBPRGKRZSA-N 262.353 3.562 30 20 CHED N#C[C@@H]1CC[C@H](N2CC[C@@](F)(c3cccc(Cl)c3)C2)C1 549695072 XKMLQKVSJWYZIO-KCXAZCMYSA-N 292.785 3.903 30 20 CHED C=CCCC(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 373454591 BODGDVQPMJZRIL-SFHVURJKSA-N 280.371 3.562 30 20 CHED CCCN(CCc1cccs1)c1nccc(C)c1C#N 463476432 CJAZKSGAUNGSGP-UHFFFAOYSA-N 285.416 3.782 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 466526723 DCDNEVLJYPKCCJ-ZDUSSCGKSA-N 295.810 3.968 30 20 CHED N#Cc1ccnc(N2CC=C(c3c(F)cccc3F)CC2)c1 376476777 NQVLVDSDUKJRAO-UHFFFAOYSA-N 297.308 3.525 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(CC)s1 280795787 KACKKGORAUZJTF-ZENOOKHLSA-N 279.449 3.942 30 20 CHED N#CCc1ccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 466105760 QSXMDARFEQXIOQ-IRXDYDNUSA-N 297.402 3.843 30 20 CHED C=CCN(C(=O)[C@@H](CC)OC1CCCC1)C(C)(C)C 622944027 AXYZNTKNGDQTIB-CQSZACIVSA-N 267.413 3.537 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 464759526 ZLQPKTKXCPBIBW-CRAIPNDOSA-N 294.398 3.958 30 20 CHED CC#CCCCC(=O)N(C)c1cccc(OC(F)(F)F)c1 464447181 DJMPQZHPDRHBGP-UHFFFAOYSA-N 299.292 3.742 30 20 CHED C[C@@]1(CNc2ccc(Cl)cc2C#N)CCO[C@H]1C1CC1 466629315 AADWIGIBMWKLDT-HOTGVXAUSA-N 290.794 3.829 30 20 CHED C=C(C)Cn1c(N2CCCC[C@@H](C)C2)nnc1C(C)(C)C 460378009 VRPCWBQQULAFGY-CQSZACIVSA-N 290.455 3.778 30 20 CHED CC1(C)CCC[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C1 464158169 IEVXCWGZLOMAEL-WBMJQRKESA-N 264.413 3.647 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC2(CCOCC2)CC1 284857605 UJTOFQAENLQWTH-OAHLLOKOSA-N 284.403 3.512 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(C#N)c(F)c1 551240269 HRURKTSRPALXCU-GFCCVEGCSA-N 260.356 3.950 30 20 CHED C[C@@H](C(=O)NCCCCC(C)(C)C)c1cccc(C#N)c1 462034429 DFCZTPAEEUZVOY-CQSZACIVSA-N 286.419 3.994 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(OC)ccc1Cl 466377465 FCGBYUFJNVFRSO-JTQLQIEISA-N 282.771 3.825 30 20 CHED C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1CC(=C)C 460773566 LGWASAITOWUORS-AWEZNQCLSA-N 276.428 3.770 30 20 CHED C=Cc1ccc(CCNC(=O)Nc2ccc(C#N)cc2)cc1 461249597 AETAUUXFFIHPED-UHFFFAOYSA-N 291.354 3.565 30 20 CHED C=CC[C@H](CC)NCc1cnn(-c2ccc(Cl)cc2)c1 466402226 SPRGZHQAJIYWHM-HNNXBMFYSA-N 289.810 3.970 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 466417873 RYSVNFPPEBLMST-ZDUSSCGKSA-N 276.380 3.904 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc3cncn3c2)CCCC1(C)C 285017109 RQXYJOSBJDNAFZ-INIZCTEOSA-N 297.402 3.541 30 20 CHED CC#CCCNC(=O)[C@@H](C)c1cccc(CC(C)C)c1 556972463 ZYGHEZXHHLGBKL-HNNXBMFYSA-N 271.404 3.518 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccccc2OCC(C)C)no1 289082921 JFQQSLHDNQVGBW-QGZVFWFLSA-N 299.374 3.963 30 20 CHED C=CCCC1(C(=O)NCC2(c3ccccc3C)CC2)CC1 475532987 SRXDBFJZSKPJQC-UHFFFAOYSA-N 283.415 3.889 30 20 CHED CC[C@@H](CC#N)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 701309244 QJQKPHRDWFORDZ-OOPCZODUSA-N 297.185 3.815 30 20 CHED Cc1ccc2c(c1)N(C(=O)[C@@]1(C#N)CC13CCCC3)CCC2 298838483 WLQUBVFVTXFFBV-IBGZPJMESA-N 294.398 3.748 30 20 CHED C=C(C)Cn1c(N2CCC(C)(C)CC2)nnc1C(C)(C)C 555289843 GFGXKKKXXKXSJO-UHFFFAOYSA-N 290.455 3.778 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 476096116 RUHNHWWKKAHZBA-BLLLJJGKSA-N 281.359 3.585 30 20 CHED C[C@H]1CC[C@@H](C=NNc2cccc(F)c2[N+](=O)[O-])C1 800817940 ZXFLSMGGHTXZBN-VHSXEESVSA-N 265.288 3.568 30 20 CHED Cc1ccsc1[C@H](Cc1ccccc1)NCCC#N 298904603 MTBWCPVIPDRWRX-HNNXBMFYSA-N 270.401 3.844 30 20 CHED CC[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc(F)cn1 803046456 OLYMGUUUYPHLNA-MRXNPFEDSA-N 298.317 3.595 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 479319455 UOBCAYONTAPOQZ-OAHLLOKOSA-N 289.419 3.920 30 20 CHED C[C@@H](C1CC1)N(Cc1ccccc1)CC1(CC#N)CC1 385898691 YBDQQXGNKREWJD-HNNXBMFYSA-N 268.404 3.981 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(C#N)oc1C 562635552 ZUSXFEGZBHHOEJ-SWLSCSKDSA-N 274.364 3.548 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(OC(C)C)cc1F 806245525 ITBLCWGWRYLPEZ-GFCCVEGCSA-N 292.354 3.536 30 20 CHED C=CCCCCNC(=O)[C@H](C)Sc1ccc(C)cc1 471670633 UGHZDQBPMXVFNV-AWEZNQCLSA-N 277.433 3.948 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2C[C@H](C)O[C@H](C)C2)CCCC1(C)C 470283457 DLYQLCGTZFFXJU-QKPAOTATSA-N 293.451 3.783 30 20 CHED Cc1noc(C)c1C[C@H](C)Nc1cccc(Cl)c1C#N 297034479 HNMDIKXHCWSXPD-VIFPVBQESA-N 289.766 3.860 30 20 CHED Cc1cc(C#N)ccc1C(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 294969662 YTYPKJFBEHIYPY-JKSUJKDBSA-N 282.387 3.517 30 20 CHED C=CCN(CCC#N)C(=O)C(C)(C)c1cccc(Cl)c1 293762758 NAMFEHSKSFOCJK-UHFFFAOYSA-N 290.794 3.546 30 20 CHED CC(C)(C)[C@@H]1CCC1=NNc1ccccc1C(=O)O 807957918 CJKTUJPYOIGYDD-LLVKDONJSA-N 260.337 3.609 30 20 CHED C[C@@H](CCC#N)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 298368627 CSFVBEKPYIKONE-BMGDILEWSA-N 266.388 3.999 30 20 CHED C=C(C)Cn1c(CC)nnc1N(CC)C1CCCCC1 564139120 LALJUSJQSVBFHJ-UHFFFAOYSA-N 276.428 3.576 30 20 CHED C[C@H]1CC(=NNc2cccc(C(=O)O)c2)c2ccccc21 807943278 DZIRSHKMVTYLEH-NSHDSACASA-N 280.327 3.708 30 20 CHED CC1(C)CCCc2cc(C#N)c(N3CCC[C@@H](F)C3)nc21 568812436 OIJDJRMIZCHPIL-CQSZACIVSA-N 287.382 3.505 30 20 CHED C#Cc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 809602500 PJNPKRYKWXGXMV-UHFFFAOYSA-N 287.309 3.559 30 20 CHED CC[C@@H](SCCO[C@H](C)C#N)c1ccc(F)cc1 802752415 QEWMIKQCAKKXKX-BXUZGUMPSA-N 267.369 3.939 30 20 CHED C[C@H](NC[C@H]1CCOC[C@@H]1C)c1ccc(C#N)cc1Cl 568064812 QYDULJSRJCUCTK-SGMGOOAPSA-N 292.810 3.535 30 20 CHED Cc1[nH]c(=N[C@@H](c2ccccc2)C2CCC2)ccc1C#N 488073670 XFSZJKNCFUMNMQ-SFHVURJKSA-N 277.371 3.637 30 20 CHED CC(C)[C@@H]1CCCCC1=NNC[C@H]1CCSC1 811658068 GLHIHAGMIHQBMG-OLZOCXBDSA-N 254.443 3.531 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cccn1CC=C 489002996 MXLQVZXACYJMKT-UHFFFAOYSA-N 298.361 3.642 30 20 CHED Cc1ccc(NN=CC2=Cc3ccccc3OC2)cc1 812373045 XFARCOOQWYWMDR-UHFFFAOYSA-N 264.328 3.869 30 20 CHED Fc1ccccc1NN=Cc1cccc2cc[nH]c12 814790013 PQHFIGXVOIRNQV-UHFFFAOYSA-N 253.280 3.753 30 20 CHED C=CCCCCOC(=O)c1cnc(C(C)C)s1 811010525 BDXQNUNSTDGZAR-UHFFFAOYSA-N 253.367 3.780 30 20 CHED CCOc1ccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)cc1 814984966 NIXHFDLPGCKLMN-MELADBBJSA-N 258.365 3.919 30 20 CHED c1ccc(C[C@@H]2CCC(=NNc3ccccn3)C2)cc1 814731926 PJPCNHKDABUTLI-HNNXBMFYSA-N 265.360 3.892 30 20 CHED C=CCCCCCOC(=O)C1(c2ccccc2)CC(=O)C1 811267498 MXTDAYXDYLBYOL-UHFFFAOYSA-N 286.371 3.577 30 20 CHED COc1ccc(F)cc1/C=C1/Oc2cc(F)ccc2C1=O 812241238 BDLJWBMNZAJFPI-VIZOYTHASA-N 288.249 3.590 30 20 CHED C#C[C@@H](NC(=O)CSCCCC)c1ccc(Cl)cc1 811951280 ZCAQOCZFHWONFR-CQSZACIVSA-N 295.835 3.664 30 20 CHED COC[C@@H](C)NN=C1CCCC[C@H]1C1=CCCCC1 814895867 XXSQQAGNKIQHJW-HIFRSBDPSA-N 264.413 3.658 30 20 CHED Cl/C=C\CON=Cc1csc(-c2ccsc2)n1 811668015 JHPJOKUVZMIXFO-DWKZATTMSA-N 284.793 3.975 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)[C@@H](C#N)c1ccccn1 819942331 ZQCOGOOFNAZFQG-RDJZCZTQSA-N 292.382 3.835 30 20 CHED C=CCCCCOC(=O)c1cc(NC(C)=O)ccc1Cl 811009388 VZXOHKJJYDIAEI-UHFFFAOYSA-N 295.766 3.812 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(Cl)c(N)c1 814939444 QVNQEQSLOPEZMP-UHFFFAOYSA-N 295.173 3.807 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N1CCC(CCC#N)CC1 570968442 ROJJQMZXQPAUEK-HOTGVXAUSA-N 276.424 3.745 30 20 CHED CC(Cc1ccc(O)cc1)=NNc1ccc(F)cc1F 814686413 DOWLBFIDKXRILV-UHFFFAOYSA-N 276.286 3.701 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(Br)c1 814685998 SGGCYUJSOBTBBC-UHFFFAOYSA-N 290.107 3.599 30 20 CHED N#CC1(c2cccc(-c3cccc(C(=O)O)c3)c2)CC1 574281349 YWLVFKSHEGVOTQ-UHFFFAOYSA-N 263.296 3.607 30 20 CHED CC(C)[C@@H]1N(C(=O)/C=C/c2ccccc2C#N)CC12CCC2 814135658 LVXJFOYFPIAVHD-BLGFXRMMSA-N 294.398 3.609 30 20 CHED C#C[C@H](NC(=O)C=C(C1CC1)C1CC1)c1ccc(Cl)cc1 811949209 SBEYUUPNHBOXDU-KRWDZBQOSA-N 299.801 3.877 30 20 CHED CC(C)[C@@H]1CC(=NN=c2cc[nH]c3ccccc23)CS1 814841326 MANFZQNRODLYBI-INIZCTEOSA-N 285.416 3.586 30 20 CHED C=CCC1(c2nc(C3Cc4ccccc4C3)no2)CCC1 579405202 ZHBPECNRQGSEFS-UHFFFAOYSA-N 280.371 3.950 30 20 CHED CC(C)(CC(=O)N1CCC(CCC#N)CC1)c1ccccc1 570400343 ZZYJWYZQWOGBLB-UHFFFAOYSA-N 298.430 3.897 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(F)c1Cl 813247707 HUUAPZXCNVKLLZ-UHFFFAOYSA-N 287.721 3.642 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1c(F)cccc1F)C2 811695767 LUGJOBPPEOFPIL-WQLSENKSSA-N 281.261 3.659 30 20 CHED C#Cc1cccc(NC(=O)NC(C)(C)c2ccccc2F)c1 814537727 WDHRJQFIFPBRFD-UHFFFAOYSA-N 296.345 3.864 30 20 CHED N#CCc1ccccc1NC(=O)C(C1CCC1)C1CCC1 579521108 PVULAVLTDFXXFG-UHFFFAOYSA-N 282.387 3.908 30 20 CHED CC(C)C1(C)CCN(C(=O)NCC#Cc2ccccc2)CC1 487699440 WREXPSIFSCVARS-UHFFFAOYSA-N 298.430 3.506 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H](c1ccccc1)c1ncc[nH]1 820506071 FNODOQLOUISFGS-WMLDXEAASA-N 297.402 3.560 30 20 CHED C[C@H](N[C@H]1CCC[C@H](F)C1)c1ccc(C#N)cc1F 572482553 ZBPOLLDDGHIDQO-DRZSPHRISA-N 264.319 3.629 30 20 CHED N#CC1(CNCc2ccc(-c3ccc(F)cc3)s2)CC1 570903488 MFWBLJPJEPVBKG-UHFFFAOYSA-N 286.375 3.948 30 20 CHED CN(CC#Cc1ccccc1)Cc1cccc2[nH]ccc12 493999950 NKSHYNDKRQEGQC-UHFFFAOYSA-N 274.367 3.651 30 20 CHED C=CC1CCN(c2nnc(CC(C)(C)C)n2C2CC2)CC1 576405515 ATBKNUOBSUQZQH-UHFFFAOYSA-N 288.439 3.604 30 20 CHED C=CC[C@@H](NC(=O)C1CCC2(CC1)CC2)c1ccncc1 827862342 BWDIXCFLHSOQPY-MRXNPFEDSA-N 284.403 3.785 30 20 CHED Cc1ccc(C(=O)[C@H](C)Sc2ccc(C#N)cn2)cc1C 498143193 BVMQAHSDVZURJP-ZDUSSCGKSA-N 296.395 3.934 30 20 CHED CC(C)(C)c1csc(NC(=O)NC2CCCC2)c1C#N 821482741 WGLMUKLXPYAIIQ-UHFFFAOYSA-N 291.420 3.981 30 20 CHED C=C(C)CN(CC)S(=O)(=O)/C=C\c1ccccc1Cl 727439690 HAZSIBKBBKSJRW-KTKRTIGZSA-N 299.823 3.539 30 20 CHED C=CCN(CC=C)C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 497893876 HREVPLLTKWYNGA-IXDOHACOSA-N 293.451 3.664 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)[C@@H](CC)c1ccccc1 498811361 JMZRTGWFRBBUAE-RDJZCZTQSA-N 289.419 3.967 30 20 CHED Cc1ccc(CCCNC(=O)CCCCCC#N)c(C)c1 588147523 XOTQANBZVRILSO-UHFFFAOYSA-N 286.419 3.826 30 20 CHED C=CCC(C)(C)C(=O)NCC1(C)Cc2ccccc2C1 496580984 AAKUSRRJLHNPBK-UHFFFAOYSA-N 271.404 3.510 30 20 CHED CC[C@H](N[C@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 902882691 VGPCQWMZISCVAG-IRXDYDNUSA-N 284.403 3.701 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 821009009 VSSSRDBEAGQDNJ-TWGQIWQCSA-N 285.274 3.938 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccccc1 820604663 GLDXWHMADLOELF-PVAVHDDUSA-N 284.403 3.581 30 20 CHED CCCCCCCC(=O)N(C)[C@@H](C(=O)O)c1ccccc1 736983564 NWDURPBFKRCXPQ-MRXNPFEDSA-N 291.391 3.631 30 20 CHED CC[C@H](N[C@@H]1CCCC12CCOCC2)c1cccc(C#N)c1 902981442 OJEKSPVJGVYIBU-ZWKOTPCHSA-N 298.430 3.948 30 20 CHED C=CCCC1(CN[C@@H]2CC[C@H](CC(=O)O)[C@H]2C)CCCC1 902424280 ULLKSDYTBPIDBN-BZUAXINKSA-N 293.451 3.992 30 20 CHED CCCCC(COC)=NNc1ccc(C(F)(F)F)cn1 737416550 DQKTUALKMRZFLF-UHFFFAOYSA-N 289.301 3.705 30 20 CHED C#CCC[C@@H](C)OC(=O)/C=C\c1nc2ccccc2s1 839032941 VVYPVTONCGHOOE-NLYDNYMLSA-N 285.368 3.655 30 20 CHED CC[C@@H](NCCc1ncc(C)cc1C)c1cccc(C#N)c1 903042848 JKOPTCXPSQXZHW-GOSISDBHSA-N 293.414 3.854 30 20 CHED Cc1ccc(F)c(/C=C2/Cc3c(O)cccc3C2=O)c1 734981797 WNENGHPNKUKXHD-WQLSENKSSA-N 268.287 3.662 30 20 CHED CC(C)c1cnc(Cn2ccc(-c3ccc(C#N)cc3)n2)o1 733308805 XIEXXFBSHHVGAJ-UHFFFAOYSA-N 292.342 3.581 30 20 CHED C[C@H](CN(C)C(=O)CCCCCC#N)c1ccccc1 588156027 RMYIOEYOMSXRPS-OAHLLOKOSA-N 272.392 3.723 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)CCCCCC#N 588373522 BTLZANACQOGQJU-ZDUSSCGKSA-N 252.402 3.791 30 20 CHED COc1cc(F)cc(/C=C\C(=O)c2cnn(C(C)C)c2)c1 834420787 LATCQYWVDCGZEH-PLNGDYQASA-N 288.322 3.508 30 20 CHED C=C[C@@](C)(CC)COC(=O)[C@H]1CC12CCSCC2 835337956 YALLLHZMWAMWIS-OCCSQVGLSA-N 268.422 3.665 30 20 CHED C=C[C@H](CC)Cc1nc(-c2ccnc(C(F)(F)F)c2)no1 904076400 QFNUGVZHPJBTAS-SECBINFHSA-N 297.280 3.905 30 20 CHED CC(CCc1ccccc1F)=NNc1nc(C)cc(C)n1 734092547 RYPQRVBMVBVHNQ-UHFFFAOYSA-N 286.354 3.653 30 20 CHED C=CC[C@@H]1N(c2nnc([C@@H](C)CC)n2C)CCCC1(C)C 582514280 GISRWVLWOVSIND-KBPBESRZSA-N 290.455 3.900 30 20 CHED CC(C)(C)c1ccc(SCC(=O)OCCCC#N)cc1 839272249 OZAMZTZEJNXVPZ-UHFFFAOYSA-N 291.416 3.923 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2nc(C)c(C)[nH]2)c1 901430932 ORMMTQNCOYKJQE-FPLPWBNLSA-N 254.333 3.539 30 20 CHED CC(=NNc1ncc(F)cc1F)c1csc(C(C)C)n1 835022091 BGDNFASXLXKAIC-UHFFFAOYSA-N 296.346 3.776 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(C#N)cc1 45027451 MFIMSTTVLRPQJR-LLVKDONJSA-N 285.372 3.845 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CCC[C@H]1CCC)c1ccccn1 835131907 HBZWHPZNRGODBA-INMHGKMJSA-N 285.387 3.906 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)CCCCCC#N)s1 588158876 XCCGIGROAFEILL-GFCCVEGCSA-N 278.421 3.578 30 20 CHED C=CC(C)(C)CN[C@H](CC)c1ccc(F)cc1O 834883329 JESQMIAYISEJEI-CYBMUJFWSA-N 251.345 3.784 30 20 CHED CCCCCCCC(=O)N(CC(=O)OC)c1ccccc1 736032273 COIKNJZGIZTBKY-UHFFFAOYSA-N 291.391 3.553 30 20 CHED CCS[C@@H]1CCC[C@@H](NC(=O)CCCCCC#N)C1 588160486 WICRYNMWZUWBKR-ZIAGYGMSSA-N 282.453 3.641 30 20 CHED C=CCCCC[C@H](C)NC1CCN(CC2CC2)CC1 678774994 WKYDRADQKMSPOO-HNNXBMFYSA-N 264.457 3.585 30 20 CHED CC(=NNc1cnccn1)c1cc(Cl)ccc1Cl 912958970 QYWGLPHECIGWCM-UHFFFAOYSA-N 281.146 3.620 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CCc3ccc(C)cc32)c1 730147037 JXWFTVZDMBFTNL-HDZGYNCQSA-N 281.355 3.816 30 20 CHED COc1ccccc1CC(C)=NNc1ncccc1Cl 917548655 DBCAKNVZZVRTRV-UHFFFAOYSA-N 289.766 3.774 30 20 CHED COc1ccc(O)c(/C=N/Cc2cccc(OC(C)C)c2)c1 915981195 NSKJCVUZWCBQLK-XDHOZWIPSA-N 299.370 3.807 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C3=CC[C@@H](C)CC3)[nH]c12 835173545 PQZCKJWJRWYXCI-RISCZKNCSA-N 293.370 3.794 30 20 CHED CCCCCCCC(=O)NCc1cn2ccc(C)cc2n1 918388920 KOSVAOCOTGGZIO-UHFFFAOYSA-N 287.407 3.619 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2CCC2CCCC2)nc1 593964227 ZNQYSTQDWDUMPD-SFHVURJKSA-N 283.419 3.888 30 20 CHED C=CCN(C(=O)CCOc1cccc(Cl)c1)C(C)C 915155282 MOODMYSIINGGSO-UHFFFAOYSA-N 281.783 3.532 30 20 CHED C[C@@H](OC(=O)C=C(C1CC1)C1CC1)c1ccc(C#N)cc1 748679945 MJDQSXLDSPWMBA-GFCCVEGCSA-N 281.355 3.909 30 20 CHED C#CCC[C@@H](C)OC(=O)/C=C/c1nc2ccccc2s1 839032939 VVYPVTONCGHOOE-HCRIHEDKSA-N 285.368 3.655 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2c2cc(C#N)cnn2)cc1 596154095 KVEHQHYEAMIWBP-KSSFIOAISA-N 292.386 3.634 30 20 CHED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3C[C@H]3C)n2)cc1 916627455 VZMRXJVLDNHMEX-KWCYVHTRSA-N 296.395 3.951 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(C#N)c2C)c1 599700697 STWVTIAYQGNVLM-DLBZAZTESA-N 290.366 3.917 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NCCCCC#N 595009989 FHXZCVDTXYVVCI-OAHLLOKOSA-N 264.800 3.945 30 20 CHED C#CCOc1ccc(C(=O)N(CC)c2ccccc2F)cc1 741531938 LSXSOTFWHNPJEY-UHFFFAOYSA-N 297.329 3.504 30 20 CHED C#CCN(CC)C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 748186267 PXVAWEGCFZONGP-VAWYXSNFSA-N 295.304 3.590 30 20 CHED C=CCN(C(=S)Nc1ccccc1Cl)[C@H](C)COC 849277246 SXTMGJVKTGPHBG-LLVKDONJSA-N 298.839 3.560 30 20 CHED C[C@]1(C=NOCc2cccnc2)C[C@@H]1c1ccccc1 841633729 RZFMCZRYMGNTDD-IAGOWNOFSA-N 266.344 3.778 30 20 CHED C=CCC1(NCC[S@](=O)c2ccccc2)CCCCC1 599611216 YJXGCBKAUFNXPR-FQEVSTJZSA-N 291.460 3.663 30 20 CHED C=C[C@@H](C)ON=C(C)c1cnn(-c2ccc(F)cc2)c1C 844624663 MMBVYKGMQAPVPX-LLVKDONJSA-N 287.338 3.635 30 20 CHED C#CCCOC(=O)c1ccc(-c2ccc(CC)cc2)o1 744049510 RDTSGHSXBXHDHH-UHFFFAOYSA-N 268.312 3.689 30 20 CHED C=CCCO[C@H](C)C(=O)OCCCc1ccc(Cl)cc1 740958426 QXJNBLHPSHOWDJ-CYBMUJFWSA-N 296.794 3.797 30 20 CHED CSc1ccccc1CN1CCC[C@@H](CC#N)C1 595620361 MMKMMWZZFKXJQX-ZDUSSCGKSA-N 260.406 3.534 30 20 CHED CCOc1cccc(/C=N/Cc2c(C)cccc2F)c1O 743043519 WEBXGRNPAOELEP-VXLYETTFSA-N 287.334 3.858 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccc([C@@H]2C[C@@H]2C)o1 917557116 XXADBQRNTKDDIR-LHLQUDMSSA-N 285.343 3.736 30 20 CHED Cc1ccc([C@H](C)/N=C\c2cccc(O)c2O)cc1 917559113 GPEPJEBJAKVZCI-NJPLLEPOSA-N 255.317 3.586 30 20 CHED C/C=C\C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 915283862 IAOWUHHPKVFOQP-DJWKRKHSSA-N 292.338 3.652 30 20 CHED C[C@H](O)CN(C)N=C1CC=C(c2ccc(Cl)cc2)CC1 841653630 UPVWAZKZVZJYQP-LBPRGKRZSA-N 292.810 3.576 30 20 CHED Cc1cccc(C)c1CCNC(=O)CC1(C#N)CCCCC1 597401429 SINZNYNSUHNRMR-UHFFFAOYSA-N 298.430 3.826 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1ccccc1F 915976630 PQLQULLNUMRHNB-UHFFFAOYSA-N 278.277 3.618 30 20 CHED CCc1ccc2occ(C(=O)N3CCC[C@H](CC#N)C3)c2c1 597904399 QMPGPFLJBDLIPD-CQSZACIVSA-N 296.370 3.761 30 20 CHED CO[C@@]1(C)CC(=NNc2cccc([N+](=O)[O-])c2C)C1(C)C 746576840 RCUUFYJSICHJED-HNNXBMFYSA-N 291.351 3.506 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccc(F)c2C)c1 745182869 SKIPPZLXOMUZLT-UHFFFAOYSA-N 284.359 3.924 30 20 CHED CC#CCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 680457195 OBQRUMCDLZRAJF-UHFFFAOYSA-N 297.329 3.761 30 20 CHED N#CC1(CCOC(=O)c2ccc(O)cc2F)CCCCC1 840405250 LGMQBKTUCOAUFC-UHFFFAOYSA-N 291.322 3.552 30 20 CHED CC[C@@H](OCCN1CCC(CC#N)CC1)c1ccccc1 593023364 RHALJIPFXGOIRK-GOSISDBHSA-N 286.419 3.780 30 20 CHED COCc1csc(CN(CCC#N)CCC(C)C)c1 596996333 SLGBDMVDVIMBOE-UHFFFAOYSA-N 280.437 3.656 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@H]1NCC1CCC(C#N)CC1 595037466 ANIFMBPICXDXNU-MTERUZRBSA-N 260.425 3.731 30 20 CHED C=C[C@@H](C)ON=C(C[C@@H]1CCOC1)c1ccc(F)cc1 844624763 JEVGUPRVPSLRNR-OLZOCXBDSA-N 277.339 3.548 30 20 CHED N#Cc1ccc(N(C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)C2CCC2)cc1 598884297 CZRAMCJYIUKPDB-RLFYNMQTSA-N 294.398 3.880 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C(=O)C#Cc1ccccc1 747388899 IPEMSOYUCUMIDX-FQEVSTJZSA-N 291.394 3.894 30 20 CHED Cc1cccc(F)c1CNc1nc2c(cc1C#N)CCC2 742421809 QLFYXMHQUNBPBP-UHFFFAOYSA-N 281.334 3.502 30 20 CHED C/C(=C/C(=O)N[C@H](C#N)CC(C)C)c1cccc(Cl)c1 749956078 WAPUMSRVLXAXTR-PINLSGDHSA-N 290.794 3.798 30 20 CHED C[C@@H]1CC/C(=C/C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 841368416 JFDPBVFADDUWCZ-GJSSTPPKSA-N 294.398 3.798 30 20 CHED CCO[C@H]1CC(=NNc2cc(F)c(F)c(F)c2)C12CCC2 747642494 PRROKCRLFBSNJO-ZDUSSCGKSA-N 298.308 3.851 30 20 CHED CC(=NNc1cncc(Cl)n1)[C@H]1C[C@H]2C=C[C@H]1CC2 842525375 OITSQCFDIDWTIC-SDDRHHMPSA-N 276.771 3.520 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1ccccc1COC(C)C 929908346 KETGXYCJOMNCRL-HNNXBMFYSA-N 289.419 3.830 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C[C@@H](C)C1CC1 920457519 QUMAGFWWDCJDRO-CYBMUJFWSA-N 275.367 3.777 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1ncc(Cl)cn1 857221356 ZXHSZUYKYMEWBS-UWVGGRQHSA-N 266.776 3.744 30 20 CHED CC1(C)C[C@@]1(C(=O)OCC1(CC#N)CC1)c1ccccc1 850293189 QAXKZDWAMPYTRM-SFHVURJKSA-N 283.371 3.591 30 20 CHED C#CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)c1ccccc1 757594304 BOWAETPPMRHAND-DOTOQJQBSA-N 271.404 3.940 30 20 CHED C#CCN(Cc1ccnc(C)c1)[C@@H]1CCc2ccccc21 856721905 LKOKRANPRVWXDS-LJQANCHMSA-N 276.383 3.513 30 20 CHED C=C(Br)CNc1ccc2cc(OC)ccc2n1 921060779 WSTXSJQBDMQLDR-UHFFFAOYSA-N 293.164 3.564 30 20 CHED COCC(C)=NNc1cc(C)c2ccc(C)c(C)c2n1 750935127 NAJUMYXCIXAVBD-UHFFFAOYSA-N 271.364 3.594 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1cc(C(C)=O)cn1C 851141265 HEPFQKDZEXTPPA-XJKSGUPXSA-N 289.375 3.519 30 20 CHED CCCCCCCCNC(=O)Cc1ccc2c(c1)COC2 754384566 MWZADNXTCYTRHQ-UHFFFAOYSA-N 289.419 3.736 30 20 CHED C#CC[C@H](NC(=O)C[C@@H](CC)C(C)C)c1ccccc1 757581989 XEPLGKGNUUSKLY-WBVHZDCISA-N 271.404 3.940 30 20 CHED CS/C=C/C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 751581146 XURVQGBADHWAPH-HBWSCVEGSA-N 288.416 3.542 30 20 CHED CC(C)Oc1ccccc1CN[C@H](C)CC(C)(C)C#N 924729193 JJKOTWMVDPELEB-CQSZACIVSA-N 274.408 3.892 30 20 CHED C#CC[C@@H](Nc1ncnc2c1CCCC2)c1ccccc1 756957437 QKWUZUBNDPTMAJ-MRXNPFEDSA-N 277.371 3.532 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)OCC2(C#N)CC2)cc1 758853818 GURNIKYSCKYVSZ-AWEZNQCLSA-N 285.387 3.836 30 20 CHED CCCC(=NNc1ncc(Cl)cn1)C1CCCC1 857220518 JPXVZHYEJMSFGC-UHFFFAOYSA-N 266.776 3.888 30 20 CHED C(=NO[C@H]1CCCCO1)c1cccc(-c2cccnc2)c1 755815118 OJQXQGGVIRWPCO-KRWDZBQOSA-N 282.343 3.626 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)nc(Cl)c1 934208095 BXUNPRIPEHKYLO-GFCCVEGCSA-N 279.771 3.616 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1coc(-c2ccc(C)cc2)n1 933912668 RKDRQTSYWKJRRW-AWEZNQCLSA-N 298.386 3.869 30 20 CHED C#CCCN(Cc1ccc2[nH]ccc2c1)CC(F)(F)F 862329691 KZAHEPHRCLKVEK-UHFFFAOYSA-N 280.293 3.556 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](CCCC)COC)cc1 766076889 SFFZYLLELRIEBM-NVXWUHKLSA-N 289.419 3.554 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccnc(Cl)c1 768546208 WJGKQHQQUJZURE-UHFFFAOYSA-N 280.755 3.612 30 20 CHED Cc1cc(OC(=O)[C@H]2C[C@@H]2c2sccc2C)ccc1C#N 765114196 UBZHBXJOOKEPAA-GJZGRUSLSA-N 297.379 3.946 30 20 CHED C#CCCCN1CCS[C@H](C)[C@H]1c1ccccc1 766904905 DTGXAIQFRBALSZ-ZBFHGGJFSA-N 259.418 3.578 30 20 CHED Cc1cccc(F)c1NN=Cc1cnn(C(C)(C)C)c1 769841766 VQIOEXGHWWNWLX-UHFFFAOYSA-N 274.343 3.532 30 20 CHED CCCCCCCNC(=O)C[C@@H](C)c1c(C)noc1C 862357701 DDXKWNIYVRJZOJ-GFCCVEGCSA-N 280.412 3.872 30 20 CHED C#CCCCOC(=O)c1ccc(-c2ccccc2)nc1C 766883041 QCXCIJJRJFRPBZ-UHFFFAOYSA-N 279.339 3.627 30 20 CHED C#CC[C@@H](CCOC)NC1CCC2(CCCC2)CC1 862549284 YSNAJCJJBLTWCE-HNNXBMFYSA-N 263.425 3.507 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(Cl)cc1Cl 1116643959 WPTFWBUXEKARCO-GXSJLCMTSA-N 274.191 3.845 30 20 CHED CN(C)c1ccc(NC2CCC(C)(C#N)CC2)cc1F 866626141 QLCOHDBXVBDGKU-UHFFFAOYSA-N 275.371 3.776 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 764433906 IALRNOMZCQPTMQ-VOTSOKGWSA-N 289.312 3.561 30 20 CHED CC(C)c1ccc(C=NOC[C@H]2CCCOC2)cc1 769878659 OWEVNHIJTPVBAT-HNNXBMFYSA-N 261.365 3.587 30 20 CHED CO[C@H]1Cc2ccc(N[C@H](C)c3cccc(C#N)c3)cc2C1 760882114 IVCHRNZAHBSZBH-YJYMSZOUSA-N 292.382 3.845 30 20 CHED CC(Cc1ccsc1)=NNc1cc(C#N)cc(Cl)n1 768382222 RJTBNMPXSLCIEP-UHFFFAOYSA-N 290.779 3.699 30 20 CHED Clc1ccc(NN=CC[C@H]2CCOC2)cc1Cl 765573218 SYYWUPSOLMIDBK-VIFPVBQESA-N 273.163 3.818 30 20 CHED FC(F)(F)C1CCC(C=NO[C@H]2CCCCO2)CC1 767388676 VATPULZFNKOITD-MCIGGMRASA-N 279.302 3.884 30 20 CHED Cn1cc(-c2ccc(/C=C/c3ccc(C#N)cn3)cc2)cn1 1116889957 LGYISVGMZIMKDI-XBXARRHUSA-N 286.338 3.524 30 20 CHED C=C(CC)COC(=O)c1sccc1Br 773497367 OKUZATJDSQQNHU-UHFFFAOYSA-N 275.167 3.634 30 20 CHED C#CC[C@H](NCc1ccc(C)c(OC)c1)c1ccccc1 774995344 BLJTWHWYFVEPDW-SFHVURJKSA-N 279.383 3.858 30 20 CHED CCC1(C(=O)OCc2cccc(C#N)c2F)CCCC1 774969941 SGFBTVVVHHCDGY-UHFFFAOYSA-N 275.323 3.711 30 20 CHED O=C1C/C(=C/c2ccc(F)cc2F)C(=O)c2ccccc2N1 774145187 OHUWIXCGGOBWCE-XFFZJAGNSA-N 299.276 3.573 30 20 CHED CC(C)(C)CC(=NNCC1CCOCC1)c1ccccc1 1116082187 BPALIENWNATORL-UHFFFAOYSA-N 288.435 3.843 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccc(F)cc1F 776849643 LRLDOEODBCUYHW-UHFFFAOYSA-N 287.313 3.880 30 20 CHED O=C(Cc1ccsc1)OCC#Cc1cccc(Cl)c1 773105953 RNNFDFCZKALTEM-UHFFFAOYSA-N 290.771 3.539 30 20 CHED C=CCN(C)C(=O)c1cc2c3ccccc3n(C)c2s1 777839735 DVAZTMFTWPTREK-UHFFFAOYSA-N 284.384 3.651 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(C#N)c1 1124203428 FEOCPLAZYANFEP-UKRRQHHQSA-N 256.349 3.713 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@H](C)C3(CCC3)C2)cc1 779603793 BQHXLFSAAUGQBP-HOTGVXAUSA-N 298.430 3.990 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1ccc(CF)cc1 777548788 SBKJTTYXWMJYPU-IBGZPJMESA-N 281.396 3.735 30 20 CHED CC(C)(C)[C@H]1CCCC(=NN[C@H]2CCCOC2)CC1 780256887 DHZWGOZPPTXBGE-ZFWWWQNUSA-N 266.429 3.737 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 1123580553 KCMMVSOGJAEBIK-GFCCVEGCSA-N 287.359 3.975 30 20 CHED C#C[C@H](CCC)NC(=O)c1oc2ccc(Cl)cc2c1C 700592181 HNTQAWILYZSUTP-GFCCVEGCSA-N 289.762 3.926 30 20 CHED Cc1cc(Cl)c(C(=O)OCCCCC#N)cc1C 781317412 XYYNUWFFGDLNNW-UHFFFAOYSA-N 265.740 3.808 30 20 CHED C#CCC1(C(=O)OCCc2csc(C)n2)CCCCC1 788215839 FICNSTVEMLRWTL-UHFFFAOYSA-N 291.416 3.511 30 20 CHED C#CCSCCN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 788591168 HGWFHCKESIRXOC-SDDRHHMPSA-N 299.892 3.850 30 20 CHED N#Cc1ccc(C2CCN(Cc3cccc(O)c3)CC2)cc1 897589660 RXXBYBBRSUXLMI-UHFFFAOYSA-N 292.382 3.643 30 20 CHED CCCCCCCCCC(=O)N[C@]1(C)CCO[C@H]1C 784241595 IRHQUGDYIPSPBP-GOEBONIOSA-N 269.429 3.811 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(CN(CC)CC)cs1 898312721 KZCWFAPKSLRYIC-UHFFFAOYSA-N 295.452 3.526 30 20 CHED CC(=NNc1ccc(Br)c(C)c1)[C@H]1CCCO1 783833200 KZZZSXFCXNWVRG-CYBMUJFWSA-N 297.196 3.724 30 20 CHED CC1(C)CCC[C@@H]1NN=CC1=Cc2ccccc2OC1 782298522 BEKVNUGXICNCBU-INIZCTEOSA-N 270.376 3.617 30 20 CHED COc1nccc2c(NC[C@H](C)CCC#N)cccc12 894953751 CXAPQXHFQZOREI-GFCCVEGCSA-N 269.348 3.595 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2OCCF)CC1 891265821 SKHQWNKGRRJSLQ-UHFFFAOYSA-N 277.339 3.720 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccc(C(=O)O)cc1 783769696 IFFPRKQLWUICQR-YPMHNXCESA-N 260.337 3.609 30 20 CHED COCC[C@H]1CCCC1=NNc1c(F)cccc1F 799882128 DTYNIWQELDARAT-SNVBAGLBSA-N 268.307 3.569 30 20 CHED CCCCCCCCN1CCC(n2cccn2)CC1 740877613 STTYHIZAEVIWEB-UHFFFAOYSA-N 263.429 3.881 30 20 CHED CC(C)(CNc1snc(Cl)c1C#N)C1CCOCC1 896787233 URGNAYUYZSHTHY-UHFFFAOYSA-N 299.827 3.533 30 20 CHED C=CCC1(C(=O)OCc2cc(F)ccc2F)CCC1 791557224 ACOZWRGKIPGPTM-UHFFFAOYSA-N 266.287 3.754 30 20 CHED N#Cc1cc(F)c(N[C@@H]2CCC[C@H](F)C2)c(F)c1 591958292 SGUYNFZHUXFDLL-VHSXEESVSA-N 254.255 3.529 30 20 CHED SCc1cc(-c2ccc(Br)cc2)on1 57965446 MWJPQBLUYSHTPG-UHFFFAOYSA-N 270.151 3.534 30 20 CHED C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CC(C)(C)C1 553383008 ZUGWIUKPTBYGFF-NEPJUHHUSA-N 262.422 3.924 30 20 CHED N#Cc1cccc(CNCc2csc(C(F)(F)F)c2)c1 705585573 QQRULCIZFNAPNJ-UHFFFAOYSA-N 296.317 3.928 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H]1CCc2cc(Cl)ccc21 795380524 CWSZSGGGWQSCTH-YGRLFVJLSA-N 295.835 3.751 30 20 CHED C[C@@]1(C=NNc2cccc(C(F)(F)F)n2)CCCS1 793017332 YMCAZWGRHCOMKH-NSHDSACASA-N 289.326 3.784 30 20 CHED C=CCOCCOC(=O)CCc1ccc2ccccc2c1 797325389 WGERFUSBRLNGNC-UHFFFAOYSA-N 284.355 3.518 30 20 CHED CCc1ccc(NC(=O)c2ccc(C#N)o2)cc1Cl 691217759 UPRXCJLWHYWKFZ-UHFFFAOYSA-N 274.707 3.619 30 20 CHED C=CCCCC(=O)OCc1ccc(C(C)(C)C)nc1 797304093 WQITVOYKWDFZFH-UHFFFAOYSA-N 261.365 3.779 30 20 CHED FC(F)C(F)(F)CN(CC1CCC1)CC(F)(F)F 752094507 MHJYLHYBXVNQKL-UHFFFAOYSA-N 281.215 3.551 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)COc2cc(F)ccc21 794726586 CESOFKMFJIFFAA-UXBLZVDNSA-N 290.240 3.763 30 20 CHED O=C(/C=C\c1cccc2ccccc12)c1ccnc(O)c1 791433141 QIHPHBBZSZWDPN-HJWRWDBZSA-N 275.307 3.837 30 20 CHED Cc1cccnc1NN=Cc1c(C)[nH]c2ccc(F)cc12 790189929 DWHYHVWUWHECFQ-UHFFFAOYSA-N 282.322 3.765 30 20 CHED CCC(=NOCCCOC)c1cccc(Cl)c1F 795055636 NUNNQCMUPSWTIC-UHFFFAOYSA-N 273.735 3.646 30 20 CHED C=CC[C@@H](CC)NC(=O)C(F)(F)c1cccc(Cl)c1 798554088 LXYZFTSFOKJIPD-GFCCVEGCSA-N 287.737 3.903 30 20 CHED N#C[C@@H]1CCCN(CCc2cc(Cl)cc(Cl)c2)C1 722115511 RTPCJUCCQMXONP-LBPRGKRZSA-N 283.202 3.771 30 20 CHED COc1ccc2c(c1)CCCC2=NOCCCCF 795205833 JOHZVTNYBJJBON-UHFFFAOYSA-N 265.328 3.502 30 20 CHED CC(C)(C#N)CCN1CCC(Cc2ccccc2)CC1 87595139 HGMLGNSDISXGTL-UHFFFAOYSA-N 270.420 3.881 30 20 CHED Cc1nc(C#N)cc(N[C@@H](CC(C)C)c2ccccc2)n1 1161998943 ZQCIDVYYCFANQZ-INIZCTEOSA-N 280.375 3.856 30 20 CHED CCOC(=O)[C@@H](Sc1cccc(F)c1C#N)C(C)(C)C 1166247534 VIBAKBYEPHRRHY-CYBMUJFWSA-N 295.379 3.767 30 20 CHED CCC[C@H](NC(=O)Nc1ccc(C#N)cc1)C1CCC1 1622712221 WRQBPVDQBHEOMD-HNNXBMFYSA-N 271.364 3.649 30 20 CHED C[C@H]1[C@@H](Cc2ccccc2)CCN1c1cccc(CC#N)n1 1325709990 KRLAYAOZXFTXLZ-DOTOQJQBSA-N 291.398 3.605 30 20 CHED Cc1ccnc(CSCCCOc2ccc(C#N)cc2)c1 1255681480 JETSIRKGLLOUTP-UHFFFAOYSA-N 298.411 3.964 30 20 CHED CC1(C)CC[C@H](c2nnc(COc3ccccc3C#N)o2)C1 1333056743 MXOMIMYZZZDNHO-LBPRGKRZSA-N 297.358 3.814 30 20 CHED CC(C)[C@@H](CNc1cccc(CC#N)n1)Nc1ccccc1 1338233802 UZTHZXOZLJGMQJ-QGZVFWFLSA-N 294.402 3.696 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@H]1CCC(C)C 1339831165 YZQWTHIFJYHCHM-LBPRGKRZSA-N 298.381 3.807 30 20 CHED C/C=C(/C=C/c1nnc(COc2ccccc2C#N)o1)CC 1331852250 IBDPTNBTENIWOO-BQDNQQQLSA-N 295.342 3.890 30 20 CHED CCCCCN(c1nnc(CCCC#N)n1CC)C(C)C 1263041670 MUGRDMWAKVWAKR-UHFFFAOYSA-N 291.443 3.549 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(Cl)ncc1C 1262340542 GIZCGSAJRJHUNN-UHFFFAOYSA-N 266.772 3.518 30 20 CHED C=C[C@H](COC)N[C@@H]1CCCc2c(Cl)cccc21 1342731832 HTELMBPBCVTRIC-IAQYHMDHSA-N 265.784 3.508 30 20 CHED C=C(CC)C(=O)N(C)Cc1ccccc1C(F)(F)F 1345575724 IQXKQESEOFMHPD-UHFFFAOYSA-N 271.282 3.630 30 20 CHED C=C(C)[C@H](Cc1nnc(-c2ccccc2C)o1)OCC 1349933410 CTDZYUACYWLPGQ-AWEZNQCLSA-N 272.348 3.569 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)[C@H](F)c1ccccc1 1436403201 UIKDPRBEQRFJBR-QGZVFWFLSA-N 294.329 3.548 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc2ccc(F)cc2s1 108912883 OSFKUMBYBWXJBW-SNVBAGLBSA-N 290.363 3.662 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)Cc1ccc(C#N)cc1 1357793758 LSGCYGATNIWIRZ-QGZVFWFLSA-N 284.403 3.528 30 20 CHED CC[C@H](CC(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1357599290 SRXWBCXSZJXXIA-UKRRQHHQSA-N 296.345 3.981 30 20 CHED CCc1cc(C#N)c(NC(=O)c2coc(SC)c2)s1 1517576789 LPZQABVCBVFYFB-UHFFFAOYSA-N 292.385 3.749 30 20 CHED CO[C@H](COc1c(C#N)cnc2ccc(C)cc12)CC(C)C 1459097998 BHJCTGZUHDEOKT-HNNXBMFYSA-N 298.386 3.855 30 20 CHED CCCC[C@@H](S[C@@H](C#N)CCc1ccccc1)C(=O)O 1605251404 RLFNZKDVHQOJKQ-HUUCEWRRSA-N 291.416 3.888 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)Nc2ccc(C#N)c(C#N)c2)C1(C)C 1538988325 YQIDIDBECQLJQJ-SGTLLEGYSA-N 295.386 3.831 30 20 CHED N#Cc1c[nH]ccc1=N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 1612487672 JEEMIVOFFFMADR-XJKSGUPXSA-N 297.789 3.777 30 20 CHED Cc1ccc2c(c1C)N(Cc1cc(C#N)ccn1)CCC2 1618591789 YYMSYOZLPWOXHZ-UHFFFAOYSA-N 277.371 3.523 30 20 CHED CCc1ccccc1NCc1ccc(C#N)cc1F 20053914 OWGZUPFRRUWZBZ-UHFFFAOYSA-N 254.308 3.872 30 20 CHED Cc1cc(C#N)nc(N[C@H]2CCC[C@@H]2CCC(C)C)n1 1639423310 ZJUIYPXRZHPQQF-HIFRSBDPSA-N 272.396 3.674 30 20 CHED CC(C)c1ccc(C[C@H](C)Nc2cncc(C#N)n2)cc1 1639656265 UJYXNIZTTZMDHO-ZDUSSCGKSA-N 280.375 3.515 30 20 CHED Cc1ccc(C[C@@H](C)Nc2cc(C)c(C#N)cn2)s1 1642288413 AOONPSBLPHMNCP-LLVKDONJSA-N 271.389 3.675 30 20 CHED C=CCC[C@H](N[C@H]1CC[C@@H](CC(=O)O)C1)c1ccco1 1588778625 HDIPPYINHDITGY-RDBSUJKOSA-N 277.364 3.520 30 20 CHED Cc1cc(SCCN2C[C@H](C)C[C@@H](C)C2)ccc1C#N 1656666712 IQJWWHBWGPAUBN-ZIAGYGMSSA-N 288.460 3.937 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(O)c(F)c1 1657224404 VIKIYWPZAPJCCO-UHFFFAOYSA-N 298.361 3.814 30 20 CHED C=CC[C@@H](Sc1ccc(C(C)C)cc1)C(=O)O 1588759105 PIHKBRKBORFEDW-CYBMUJFWSA-N 250.363 3.931 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2cc(F)cc(C#N)c2)CS1 1665454481 UVCDGYHKNHXKFG-KBPBESRZSA-N 264.369 3.639 30 20 CHED C=CCC[C@H]1CCCN1Cc1cc(Cl)cc(C(=O)O)c1 1776170765 QIXWSFNFRBITQH-HNNXBMFYSA-N 293.794 3.969 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2cc(F)cc(F)c2)c1 1777685033 YCAWLHZCOUSTPR-PLNGDYQASA-N 288.249 3.559 30 20 CHED CCCC[C@H]1CCCC1=NNc1ccc(C(=O)O)nc1 1776069544 PLMHPZWCTGXBDA-NSHDSACASA-N 275.352 3.538 30 20 CHED C=CCCCCN(C)Cc1cc(C(=O)O)ccc1Cl 1776174937 HCRSKRWJUMOXDU-UHFFFAOYSA-N 281.783 3.826 30 20 CHED Cc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1Cl 135022781 ITWPFCMYGPHCIX-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CC(C)C[C@H](C)N(C)C(=O)CSc1cccc(C#N)c1 158664897 VKIWMQWMZKOOQF-ZDUSSCGKSA-N 290.432 3.543 30 20 CHED C=CCC(CC=C)C(=O)OCc1nnc(-c2ccccc2)o1 151395296 DJSVUMFBAUDLAN-UHFFFAOYSA-N 298.342 3.548 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1ccsc1 157667953 IOUXZTBDMGOJCB-UHFFFAOYSA-N 265.382 3.542 30 20 CHED CC[C@@H](/N=C/c1ccccc1O)c1c(C)noc1C 154802591 HQINAUURIRFYFN-BPKVKKHESA-N 258.321 3.567 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccnc(Cl)c1Cl 901335237 CWOQERRBNJEACX-VIFPVBQESA-N 287.190 3.863 30 20 CHED N#Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 15603408 FMRFDGPJLPJTON-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](c1ccccc1)[C@H](C)CC 249745682 NAYUFWOUPHQLGV-FVQBIDKESA-N 272.392 3.625 30 20 CHED Cc1cccc([C@@H](C)NCc2ccc(C#N)cc2F)c1 157284004 IHMYIHXLCFUHKL-CYBMUJFWSA-N 268.335 3.857 30 20 CHED N#Cc1ccc(COc2ccc(F)c(F)c2)c(F)c1 35149498 HBSUKXSHINFILI-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C[C@H](NCc1cccc(F)c1)c1cccc(C#N)c1 37246989 JJRZLRBEIYUAQH-LBPRGKRZSA-N 254.308 3.548 30 20 CHED N#Cc1ccccc1CN1CCC[C@H]1c1ccccc1 54993492 WQTAAMROXCGFAW-SFHVURJKSA-N 262.356 3.895 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCSc2ccc(F)cc21 180953951 YGMGKDHTWDSMAI-ZWNOBZJWSA-N 251.370 3.917 30 20 CHED CCC1CCC(NCc2ccc(C#N)c(F)c2)CC1 404158586 PRDHEGBKWNJMBP-UHFFFAOYSA-N 260.356 3.756 30 20 CHED CC(C)CSCCN[C@H](C)c1cccc(C#N)c1 341776402 NACILIPFUITHAM-CYBMUJFWSA-N 262.422 3.598 30 20 CHED C#C[C@@](C)(CC)NCc1csc(-c2ccc(F)cc2)n1 384200930 LOZIMYRBYVRDMS-INIZCTEOSA-N 288.391 3.841 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(Cl)s2)c1 7265556 ASMZEKCCWOTBTP-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=C(C)CNC(=S)N(C)c1ccc2ccccc2c1 7586065 DNLBJGGQZXNRDG-UHFFFAOYSA-N 270.401 3.727 30 20 CHED Cc1ccc(F)c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 107908258 ZGXMECQVFHZHCH-UHFFFAOYSA-N 299.349 3.815 30 20 CHED CCCCCCCCCC(=O)N(C)[C@@H](C)CC#N 112733760 RAUFZECKGTWIQA-AWEZNQCLSA-N 252.402 3.888 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccccc2C#N)n1 178670149 WHRGIGXUHSVRBD-GOSISDBHSA-N 277.371 3.599 30 20 CHED CCCCCCCC(=O)N(CC)Cc1ccoc1 102284892 HWOOOQHNWVBBHY-UHFFFAOYSA-N 251.370 3.989 30 20 CHED C=CCN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 114472863 LUIRCNBGLPFQMM-HNNXBMFYSA-N 283.419 3.983 30 20 CHED CCCCCC[C@@H](CC)C(=O)N1CCC(C#N)CC1 116739623 PJRLHFYJQYJXGE-OAHLLOKOSA-N 264.413 3.745 30 20 CHED C=C(C)CSCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 177863832 WSJHRHAATMMHOG-LBPRGKRZSA-N 281.396 3.654 30 20 CHED CCCc1nc(CS[C@H](C)c2ccc(C#N)cc2)no1 118444253 IROABZQYNWOJJY-LLVKDONJSA-N 287.388 3.888 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(Cl)cc1 116933917 SAMBTCMLKKFNGX-WDEREUQCSA-N 266.772 3.665 30 20 CHED CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 117448542 KOULZCQWNNTWJA-LSDHHAIUSA-N 299.418 3.841 30 20 CHED CCCCCCCC(=O)N1CCOC[C@@H]1c1ccc(C)o1 116701570 LWFXUHCWFIQAAF-OAHLLOKOSA-N 293.407 3.848 30 20 CHED CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(C#N)cc1 174310365 CJHMTNBHQVIIKS-GFCCVEGCSA-N 291.420 3.554 30 20 CHED C=CCN(Cc1cccs1)Cc1cc(F)ccc1O 179888433 LFBJMLHLNKUDII-UHFFFAOYSA-N 277.364 3.781 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)Oc2ccccc2Cl)CC1 110360288 KLQOYSLSEQZXNJ-GFCCVEGCSA-N 293.794 3.532 30 20 CHED C=CCCCC(=O)N(C)c1ccc(OC)c(Cl)c1 176877425 UQWZJIYDHLUYIQ-UHFFFAOYSA-N 267.756 3.668 30 20 CHED CC(C)(C)c1nnc(S[C@H](C#N)C2CCCCC2)o1 115187375 LKKCPCWLTFYEAY-LLVKDONJSA-N 279.409 3.932 30 20 CHED CC(C)(C)CCCC(=O)N[C@@H](C#N)C1CCCCC1 176584947 DOUWHZFRFYIULB-AWEZNQCLSA-N 264.413 3.791 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccc2)cc1 25439066 DKSPHTIQTPZFHB-LJQANCHMSA-N 276.383 3.765 30 20 CHED Cc1csc(CCCCNc2c(C#N)cccc2C#N)n1 302876137 FZEZUXCZONFINK-UHFFFAOYSA-N 296.399 3.630 30 20 CHED CC(C)Oc1ccc(Oc2ccc(C#N)cn2)cc1 301308454 CTWGLDMOJPLXRI-UHFFFAOYSA-N 254.289 3.533 30 20 CHED C[C@H](Nc1ccc(C#N)nn1)c1cccc2ccccc12 301930911 OIXLQCPRDYUMHD-LBPRGKRZSA-N 274.327 3.675 30 20 CHED C[C@H](SCCC(=O)NC(C)(C)C)c1ccc(C#N)cc1 118444580 YAXJTRFDDHOOIG-LBPRGKRZSA-N 290.432 3.657 30 20 CHED C=CCCCC(=O)OCc1ncc(-c2ccccc2)o1 174914784 RJEDMERIZNWIGP-UHFFFAOYSA-N 271.316 3.741 30 20 CHED Cc1ccc(CNc2nccc(C#N)c2Cl)cc1 235903371 PJLODGHXPYXEAA-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CCS[C@H]1CCCCN(c2c(F)cc(C#N)cc2F)C1 301219962 ASJPCCMRYALVCO-LBPRGKRZSA-N 296.386 3.948 30 20 CHED CC(C)CCOc1ccc(C(=O)NCCCCC#N)cc1 171507863 ULZPWSYSMRJPPL-UHFFFAOYSA-N 288.391 3.535 30 20 CHED N#Cc1cc(F)c(NC2CCCCCC2)c(F)c1 60196951 WIKGMPYGHQXEIZ-UHFFFAOYSA-N 250.292 3.971 30 20 CHED Cc1cccc2c1CN(c1ccc(F)cc1C#N)CC2 428666945 STMFNFSTNYGLKN-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=CCCC(=O)N(C)Cc1c(CC)oc2ccccc12 171425098 MNJWCMGFIJMWLA-UHFFFAOYSA-N 271.360 3.920 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1OC(F)F 174060253 FTJKSSAFQCABAF-QMMMGPOBSA-N 288.269 3.513 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1ccc(F)cc1 121783370 JDDTVNJFWBEYIC-ZHACJKMWSA-N 286.302 3.739 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](CC)C(C)C 303271037 RCYHKCSQKUXXBT-MRXNPFEDSA-N 289.394 3.860 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccccc1C(C)(C)C 233292825 KFAIPVMYLZTZEG-ZDUSSCGKSA-N 257.377 3.516 30 20 CHED C=CCC[C@@H](O)CNC(c1ccccc1)c1ccccc1 120930015 GIASIZDYZRVRGQ-GOSISDBHSA-N 281.399 3.693 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1[C@H]2c3ccccc3C[C@H]21 301672465 AJQLCOHVKXMGHA-JZXOWHBKSA-N 278.330 3.695 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C2CCCC2)nn1C 182287378 IKSNRAWWCZCPAM-UHFFFAOYSA-N 287.407 3.785 30 20 CHED CCc1c(C)sc(NC(=O)[C@H]2C[C@]2(C)CC)c1C#N 127809651 JYFJZZZQONIOSS-DOMZBBRYSA-N 276.405 3.865 30 20 CHED N#Cc1ccc(N2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 301818381 AEUVRIREOSTYGO-QGZVFWFLSA-N 298.773 3.869 30 20 CHED CN(CCCCC#N)Cc1ccc2ccccc2c1 57598961 LMAPDTCLBJAIDA-UHFFFAOYSA-N 252.361 3.965 30 20 CHED Cc1cncc(C(=O)/C=C/c2cccc(OC(F)F)c2)c1 184777319 DLJGWDLAHVHFCZ-AATRIKPKSA-N 289.281 3.888 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 125585308 QCKZOOXJEONJTH-KBPBESRZSA-N 278.355 3.539 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(OCC)c(OC)c1 182590062 HFBOANWGIYMZKE-ZDUSSCGKSA-N 291.391 3.569 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)[C@@H](C)C(C)C 181103957 OIOFPKGJZGZJFS-KGLIPLIRSA-N 254.418 3.807 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](C)[C@H](C)CC)s1 183299055 QSUFRMFGTXOJKG-NXEZZACHSA-N 264.394 3.803 30 20 CHED C[C@H]1CN(CC(C)(C)CCC#N)CCN1Cc1ccccc1 414516041 WBFPTHSJWCNHAG-KRWDZBQOSA-N 299.462 3.523 30 20 CHED COc1cc(-c2ccccc2)ccc1CNC[C@H](C)C#N 183814936 CTUWJHNHCWBAEJ-CQSZACIVSA-N 280.371 3.611 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H](c2ccccc2)CC1 128249313 GIAPNYBYOPZRGH-GOEBONIOSA-N 272.392 3.540 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N[C@](C)(C#N)CCSC 415676369 MMAORZNMZOOXFD-ZBFHGGJFSA-N 296.480 3.744 30 20 CHED CC1(C)C[C@@H](Nc2cc(Cl)ccc2C#N)CCO1 70349839 BPKOJSHOHIVGCX-LBPRGKRZSA-N 264.756 3.581 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1CC12CCNCC2 129305994 GLIORDWEOUKWRG-MRXNPFEDSA-N 294.483 3.633 30 20 CHED CCc1c[nH]c(S[C@H](C)c2cccc(C#N)c2)n1 189856892 HOJGIYAZHZZJTL-SNVBAGLBSA-N 257.362 3.697 30 20 CHED N#Cc1cccc(CNCc2cccc(-c3ccccn3)c2)c1 126683326 MDDITVJFGQGPEM-UHFFFAOYSA-N 299.377 3.910 30 20 CHED C=CCSCCN[C@H]1CCSc2c(F)cccc21 180454738 LZFPWAURMQIANH-ZDUSSCGKSA-N 283.437 3.871 30 20 CHED C=CCC1(NC(=O)[C@H](C)CC(F)F)CCCCC1 413846643 RWJDNHBWXMBSKW-LLVKDONJSA-N 259.340 3.673 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2cccc(F)c2C#N)C1 189985574 YUYXENMGPSDEFF-QGZVFWFLSA-N 288.366 3.740 30 20 CHED CC[C@H](Nc1ccc(C#N)cn1)c1ccc(F)cc1F 77987160 UQLNIFFBEFLDMA-AWEZNQCLSA-N 273.286 3.795 30 20 CHED CC[C@H](CSCc1ccc(Cl)cc1C#N)OC 419621508 FTTYIMUBHGUBBB-CYBMUJFWSA-N 269.797 3.870 30 20 CHED Cc1ccnc(CSCCC2(C#N)CCCCC2)n1 419433402 HYBKABUQNMSEAX-UHFFFAOYSA-N 275.421 3.882 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(CCCSCC#N)C1 74991730 ISSXAGRCZQSGRG-BBRMVZONSA-N 292.423 3.855 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1Cl 410684045 MWRWDLKBDBDVCA-SMDDNHRTSA-N 295.810 3.744 30 20 CHED C=C(C)CN(C)C(=O)c1sc2ccc(OC)cc2c1C 180421301 VCNQKLYZEMZUIE-UHFFFAOYSA-N 289.400 3.866 30 20 CHED CCC[C@H](CC(C)C)C(=O)N[C@](C)(C#N)CCSC 410856010 XLMSIKIJIPYREV-HIFRSBDPSA-N 284.469 3.600 30 20 CHED C=CCNC(=O)N[C@@H](c1ccccc1)C(CC)CC 503395605 VWDTXGHHXGOQMB-OAHLLOKOSA-N 260.381 3.649 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)N(CC)CCC#N 133318565 LEPRINQYDMNIHQ-UHFFFAOYSA-N 294.782 3.505 30 20 CHED CO[C@@H]1CC[C@H](/N=C(/O)Nc2csc3ccccc23)C1 329927341 WWOSWYYLHQSSBQ-WDEREUQCSA-N 290.388 3.795 30 20 CHED CCCN(CC#N)Cc1csc(CCc2ccccc2)n1 84678004 YUHVCZFXDDFCMK-UHFFFAOYSA-N 299.443 3.664 30 20 CHED C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(C#N)cc1 83079961 MRNDQJRCIJYSPJ-YUNKPMOVSA-N 287.359 3.707 30 20 CHED COc1cccc(C/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 328723443 YBXMVQPUEVOFML-KCQAQPDRSA-N 288.391 3.558 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1 195252152 NMDQNIAGWAAIFS-RTBURBONSA-N 292.382 3.568 30 20 CHED C#CCCCC(=O)Nc1nc2c(s1)CCCCCC2 192225708 UNAOUSJXQRKURU-UHFFFAOYSA-N 276.405 3.544 30 20 CHED N#Cc1ccc(N2CCC[C@@H](CC(F)(F)F)C2)cc1 420637144 VYOIBIXNDNEWIB-LBPRGKRZSA-N 268.282 3.727 30 20 CHED Cc1noc2ncc(/C(O)=N/[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc12 328920134 STVZBPDMJNCSFT-GASQSECBSA-N 299.374 3.661 30 20 CHED N#Cc1cc(CNc2ccc(Cl)cc2)ccc1F 83442280 SKQUSJGYKKIPSL-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@@H]1c2ccsc2CCN1CCOc1ccccc1C#N 42278378 HAHVOHANRDMAHQ-CYBMUJFWSA-N 298.411 3.618 30 20 CHED CCN(Cc1ccccc1C)C(=O)Nc1ccc(C#N)cc1 47955626 MJHFLHXSEBJYPW-UHFFFAOYSA-N 293.370 3.921 30 20 CHED C=CCOc1ccccc1C(=O)NCCCC1CCCC1 515364141 CFYBTDNTUNDVJN-UHFFFAOYSA-N 287.403 3.952 30 20 CHED Cc1csc([C@@H](C)/N=C(/O)c2oc(C3CC3)nc2C)n1 329782046 NQIRNVCDRDDATL-SECBINFHSA-N 291.376 3.691 30 20 CHED Cc1ccccc1O[C@@H](C)CNCc1ccc(C#N)c(F)c1 421364486 ORFNBSVVMQLKBV-AWEZNQCLSA-N 298.361 3.563 30 20 CHED N#Cc1ccccc1C[S@@](=O)c1cccc(Cl)c1 84255837 GTJCMIBGQKHDNW-SFHVURJKSA-N 275.760 3.519 30 20 CHED Cc1cc([C@@H](C)/N=C(/O)c2ncccc2C)c(C)o1 331119622 ANDPVKLGNJBRMW-LLVKDONJSA-N 258.321 3.666 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)o2)[C@H]1c1cccc(F)c1 335558321 FACOFHAPDCBKSY-BDJLRTHQSA-N 298.317 3.514 30 20 CHED C=CCSCCNC(=O)Nc1cc(Cl)ccc1F 194598527 LCULRFCBTXOKLM-UHFFFAOYSA-N 288.775 3.520 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1ccnn1C)c1ccccc1 193034353 OZMJLRXJZIVAHZ-GOEBONIOSA-N 269.392 3.778 30 20 CHED N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C2CCC2)cc1 332981853 UKMLADMAEIZQRF-GDBMZVCRSA-N 283.375 3.768 30 20 CHED C#CCCCC(=O)Nc1ccc(Nc2ccccc2)nc1 192004946 CDFGATGWVRBJAQ-UHFFFAOYSA-N 279.343 3.567 30 20 CHED C=CCC(C)(C)CNCc1cnn(-c2ccc(F)cc2)c1 339415324 AEHAQVQTXUSVIJ-UHFFFAOYSA-N 287.382 3.703 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cccc(C#N)c1 97473051 WQDFHRICDRUKGU-RYUDHWBXSA-N 271.364 3.504 30 20 CHED C[C@H]1C[C@H]1c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 336558396 ZQYHICCVSFYCBP-TVQRCGJNSA-N 285.322 3.530 30 20 CHED COc1cc(C#N)cc(OC/C=C/c2ccccc2)c1 234952915 RJPQVDXNASHNMT-VMPITWQZSA-N 265.312 3.659 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@](C)(C#N)CC(C)C)c1 330478601 KVMZTPCQYUOFTE-PBHICJAKSA-N 272.392 3.543 30 20 CHED C[C@H](C#N)Oc1ccc(CNCCCc2ccccc2)cc1 237568991 GSSWHYGJJWJQNN-MRXNPFEDSA-N 294.398 3.700 30 20 CHED CCC1(C)CCN(C(=O)c2cccc(C#N)c2C)CC1 338118970 IJEBASWZTMDHAN-UHFFFAOYSA-N 270.376 3.519 30 20 CHED C=CCC[C@H](NC(=O)N1C[C@H]2[C@@H](C1)C2(C)C)c1ccccc1 435104421 FWYKOLCQCWTBJZ-BBWFWOEESA-N 298.430 3.991 30 20 CHED CC(C)CNC(=O)c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 437129298 ZATHJIVERODTQT-RHSMWYFYSA-N 299.418 3.567 30 20 CHED C=CCCN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 339118145 XSLOFACVCKMDAN-UHFFFAOYSA-N 288.269 3.622 30 20 CHED CC(C)[C@@H]1CCCCN1c1ccc(Cl)c(C#N)n1 92913627 BLEBBUMGCJVDEO-ZDUSSCGKSA-N 263.772 3.622 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/[C@H](C)C1CCCC1 330016306 PIRFVBVXBPHKEI-SNVBAGLBSA-N 276.380 3.819 30 20 CHED C=CCC[C@@H](C)Nc1ccc(C(=O)NC(C)(C)C)cc1 437135903 KFZLKEOVCZRVTD-CYBMUJFWSA-N 274.408 3.982 30 20 CHED C=CC1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)CC1 438032171 HKPFSUOTIPJBNJ-QAQDUYKDSA-N 284.403 3.540 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCCC1CCOCC1 341370794 PGUOTUUYZSDXAM-UHFFFAOYSA-N 294.439 3.514 30 20 CHED Cc1cc(/C=C\c2ccc(C#N)cn2)cc2cccnc12 342232829 OBKQAHLRNSPOGP-XQRVVYSFSA-N 271.323 3.980 30 20 CHED C[C@@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H]1C 245858747 DZHBFPVBXJUNOO-HLLBOEOZSA-N 299.418 3.719 30 20 CHED N#CC1(CSCc2csc(-c3ccccn3)n2)CC1 344485042 OZZRABRLKDERMX-UHFFFAOYSA-N 287.413 3.742 30 20 CHED CC(C)CCN(C(=O)c1cc(C#N)ccc1Cl)C1CC1 349169775 DFDAGGOMWCTADJ-UHFFFAOYSA-N 290.794 3.862 30 20 CHED C=CCC(C)(C)c1noc(CN(C)Cc2ccccc2)n1 340786583 DITUCVXDKZITFR-UHFFFAOYSA-N 285.391 3.555 30 20 CHED CC(C)(C)CCC(=O)Nc1cc(C#N)cn1C(C)(C)C 348255691 SFNOFPLYKUVVGT-UHFFFAOYSA-N 275.396 3.880 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 430372277 RHNWEDSOFIPTKO-HZMBPMFUSA-N 262.740 3.586 30 20 CHED C=C1CCN(C(=O)c2ccccc2NCc2ccco2)CC1 343666009 LFKMXKDDWARMHF-UHFFFAOYSA-N 296.370 3.684 30 20 CHED C=CCCCC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 438352775 COTXQASSNJLQNO-NEPJUHHUSA-N 277.330 3.828 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1ccc(O)c(F)c1)C2=O 254948712 CCOORBIDFLBLTI-JYRVWZFOSA-N 298.313 3.752 30 20 CHED Cc1ccc([C@H](C)N(C)Cc2cccc(C#N)n2)c(C)c1 602439888 QIFISYGBPUTNDL-HNNXBMFYSA-N 279.387 3.763 30 20 CHED Cc1cccc(Cl)c1OCCOc1ccc(C#N)cc1 522893212 BWVNEWMSKGHZFH-UHFFFAOYSA-N 287.746 3.978 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccnc(C#N)c2)C1 342412851 LPVWRKZMWYYDMF-CABCVRRESA-N 277.371 3.644 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C2CCCCC2)ccn1C(C)C 341976463 KHXXHEWTHZLPOD-INIZCTEOSA-N 287.407 3.580 30 20 CHED C[C@H]1CC(CCNc2nccc(C#N)c2Cl)C[C@H](C)O1 343154037 OKZCMNWMWIZOKG-QWRGUYRKSA-N 293.798 3.612 30 20 CHED C=C(C)CCOC(=O)/C=C\c1ccc2ccccc2n1 255000613 BNGLJXUACSBONN-KTKRTIGZSA-N 267.328 3.757 30 20 CHED COc1ccc(C(C)(C)C)cc1NCc1cccc(C#N)n1 602490351 SSGBTSZTJUKOAM-UHFFFAOYSA-N 295.386 3.871 30 20 CHED C=C[C@H](C)NC(=O)CCSc1cccc(Cl)c1 342120378 HZWYBVJGCNZXNN-JTQLQIEISA-N 269.797 3.513 30 20 CHED C=CCCCNC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 448001777 RYNDXNGUPZQWSV-NSHDSACASA-N 290.338 3.898 30 20 CHED N#CCc1ccc(NC(=O)C/C=C\c2ccccc2F)cc1 255133343 LDCAAFKELSRHST-HYXAFXHYSA-N 294.329 3.934 30 20 CHED C=C(C)CN(CC)C(=O)/C=C\c1cnc(C(C)(C)C)s1 254925598 VHVHTTWOOJLRJZ-HJWRWDBZSA-N 292.448 3.878 30 20 CHED Cc1cccc(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1C 448283993 QAVIGRAGWWGHPU-RBUKOAKNSA-N 298.430 3.731 30 20 CHED COc1ccc(F)cc1[C@H](C)NC1CCC(C)(C#N)CC1 449088635 IJOQZUSUBYEGRB-MKQDKFQKSA-N 290.382 3.957 30 20 CHED C[C@H](CC(=O)N(C)c1ccc(C#N)cc1)c1ccccc1 359730825 UBRQWZIIZDAGIW-CQSZACIVSA-N 278.355 3.715 30 20 CHED C=CC(C)(C)CNCc1cccc(OC)c1OC(C)C 449486216 REPPUKCIKZPCGG-UHFFFAOYSA-N 277.408 3.784 30 20 CHED Cc1ccccc1CC(C)(C)NC(=O)c1ccc(C#N)cc1 609105606 NZCBEZIOWHZCTI-UHFFFAOYSA-N 292.382 3.618 30 20 CHED CC(C)(CNc1cnccc1C#N)Cc1ccccc1 354324526 PHWVOFBOVFBVEZ-UHFFFAOYSA-N 265.360 3.634 30 20 CHED N#C[C@@H]1CC[C@H](n2cc(-c3cccc4c3CCCC4)nn2)C1 600812793 GBMOWBLXVRSNDR-HIFRSBDPSA-N 292.386 3.689 30 20 CHED C=CCC[C@@H](NCC1([C@H](O)C(C)C)CC1)c1ccco1 353614388 SOVHXAHDEDOUFI-GDBMZVCRSA-N 277.408 3.674 30 20 CHED N#Cc1cc(NC(=O)C[C@H]2CCc3ccccc32)ccc1F 261479301 LWBCTLDQVWPOFD-CYBMUJFWSA-N 294.329 3.756 30 20 CHED CC(C)N(C(=O)c1cc2ccccc2n1CC#N)C1CCC1 610117478 YQBHNAIERSKKJH-UHFFFAOYSA-N 295.386 3.568 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccccc1F)C1CCCC1 538226523 SPOCBIMKSLBYQX-CRAIPNDOSA-N 291.410 3.974 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C 267113313 RUFKAYKPPGWOJT-ZDUSSCGKSA-N 291.391 3.546 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCOc1ccccc1Cl 537231965 PMIHHHRXOWWFCX-CYBMUJFWSA-N 295.810 3.970 30 20 CHED C=CCCC1(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)CC1 356706532 FEVFPIASEATDCG-HOCLYGCPSA-N 261.409 3.772 30 20 CHED COc1cc(C#N)ccc1OCc1ccccc1SC 358257838 FEVRJIFNDPNXPQ-UHFFFAOYSA-N 285.368 3.868 30 20 CHED CC[C@H](c1ccc(F)cc1)S(=O)(=O)CCC(C)(C)C#N 616188430 NDCGYKGRFGBXLJ-CQSZACIVSA-N 297.395 3.631 30 20 CHED C=C(CC)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 352762307 FKHXBCUNPGZTBA-UHFFFAOYSA-N 287.329 3.505 30 20 CHED C=CCCCSc1nnc(-c2ccncc2)n1CC=C 265369449 ZGSQLCWFEABLHV-UHFFFAOYSA-N 286.404 3.584 30 20 CHED COC(=O)c1cccc(CSC2CCCCC2)c1C#N 533716475 JVXOYCDZQPNFDD-UHFFFAOYSA-N 289.400 3.911 30 20 CHED C=CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C1CC1 536819917 GKKFWLHEBISKEH-AWEZNQCLSA-N 297.320 3.900 30 20 CHED CN(Cc1ccc(C#N)o1)[C@H]1CCCc2ccccc21 535781700 GPDGXHHSIFCCRW-KRWDZBQOSA-N 266.344 3.661 30 20 CHED C[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1cccc(C#N)c1 610357487 NSHWVJJKXPRLNS-YSVLISHTSA-N 297.402 3.593 30 20 CHED CC(C)(C#N)CCCN1CCOC[C@@H]1c1ccc(F)cc1 451792661 ALXDQIXZDLFFOJ-MRXNPFEDSA-N 290.382 3.529 30 20 CHED C[C@@H](NC[C@H]1CCCC1(F)F)c1ccc(C#N)c(F)c1 453312806 CELPERCKMNFQTH-ZWNOBZJWSA-N 282.309 3.783 30 20 CHED C[C@H]1C[C@H](CCNc2cccc(Cl)c2C#N)CCO1 450444357 XGJZYYUMFWZEQK-NWDGAFQWSA-N 278.783 3.829 30 20 CHED Cc1nc(-c2ccccc2NC(=O)CCCC#N)cs1 362207231 IXMUMNRPQBCFJL-UHFFFAOYSA-N 285.372 3.751 30 20 CHED C=CC[C@H]1CCCN(C(=O)COc2ccccc2Cl)C1 617789497 KXRTZQZQLGJXDJ-ZDUSSCGKSA-N 293.794 3.534 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc(F)cc(Cl)c1 362536162 YMQHCDQEZYINEB-UHFFFAOYSA-N 296.773 3.881 30 20 CHED Cc1nc2ccc(NC(=O)c3ccc(C#N)s3)cc2s1 362980339 OPJBIDODOGVXQB-UHFFFAOYSA-N 299.380 3.790 30 20 CHED C=CCC1(C(=O)N[C@H](CC)CSC)CCCCC1 450412025 PHHCJQISHZCSTH-CYBMUJFWSA-N 269.454 3.771 30 20 CHED Cc1ccc2c(c1)CCN(Cc1ccc(C#N)cc1F)C2 361728308 PCLUMUVUCYPYNF-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CO[C@@H](c1ccccc1F)[C@@H](C)Nc1nc(C)ccc1C#N 271868676 RQOQHEARKDNKCE-MLGOLLRUSA-N 299.349 3.589 30 20 CHED C=C(CC)CNC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 455037010 COTQCUOSWVEOQT-LBPRGKRZSA-N 290.411 3.819 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)NCCc2cccc(C#N)c2)C1(C)C 457798639 WQARSMLRUDJLBU-LIRRHRJNSA-N 298.430 3.679 30 20 CHED C=C(CC)CNC(=O)[C@H](OC(C)(C)C)c1ccccc1 456809784 CIUSEDUXNWSULB-OAHLLOKOSA-N 275.392 3.625 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)c1ccco1 623992839 ALMDMLXXMZEIMT-OAHLLOKOSA-N 283.371 3.988 30 20 CHED N#Cc1ccncc1NCc1ccc(-c2ccncc2)cc1 362337451 VBMUWIHETMQMDF-UHFFFAOYSA-N 286.338 3.627 30 20 CHED N#CCCN1CC2(CCCCC2)[C@H]1c1ccccc1 459751732 QIUBZSSTZPJJOQ-MRXNPFEDSA-N 254.377 3.907 30 20 CHED C=CCCc1noc([C@H](C)Oc2ccc(Cl)cc2)n1 453241061 VDUYOVAJBUBSLL-JTQLQIEISA-N 278.739 3.982 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccccc1OC(F)F 450671524 VVXYQBRZOGSPKQ-LLVKDONJSA-N 280.318 3.632 30 20 CHED C=CCCOCC(=O)NCC1CCC(CCCC)CC1 620207666 DFDPKVMSMQXGOA-UHFFFAOYSA-N 281.440 3.692 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@H](C)CCC)c1ccccc1 270361626 RNBLSFSRICBTPU-ZBFHGGJFSA-N 272.392 3.581 30 20 CHED CC(C)(CCC#N)CN[C@H]1C[C@H](OC(C)(C)C)C1(C)C 459774066 VKSICLCYONXXIG-KBPBESRZSA-N 280.456 3.888 30 20 CHED N#Cc1nnc2ccccc2c1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 462900740 PNYUYSFQJAPTAS-MGPQQGTHSA-N 292.386 3.882 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@@H]1C 466379172 VXTNEBXBLYOAAW-IHRRRGAJSA-N 252.402 3.561 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 464762439 VLKPMPDOILGIIJ-VHSXEESVSA-N 286.297 3.640 30 20 CHED CC#CCCN[C@H](C)Cc1cccc(C(F)(F)F)c1 467494654 KUJMNULHUBAMOO-GFCCVEGCSA-N 269.310 3.639 30 20 CHED C=CCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCC1 460066632 RXKYFFGQCACTSP-UHFFFAOYSA-N 292.310 3.809 30 20 CHED N#Cc1ccc(CN2CCC=C(c3ccccc3)C2)s1 551824958 BVCXSYOOTQXPDG-UHFFFAOYSA-N 280.396 3.909 30 20 CHED C=CCCN(C)c1ccc(C#N)cc1C(F)(F)F 466400188 UAHLZKWHWMWSHW-UHFFFAOYSA-N 254.255 3.589 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1c(CC)oc2ccccc12 464757287 SZYYIPPBTPWFBX-LBPRGKRZSA-N 286.375 3.711 30 20 CHED CSCC[C@](C)(C#N)NC(=O)C[C@@H]1CCCCC1(C)C 558212060 BYOHDSVAWFQXHA-XJKSGUPXSA-N 296.480 3.744 30 20 CHED C#CC[C@@H](NC(=O)c1nc(C(C)C)oc1C)c1ccccc1 285779308 NWNGUUYUBZNYEH-OAHLLOKOSA-N 296.370 3.601 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)c1cnc(C)s1 633460745 FVYFBUCBJFDOFH-GFCCVEGCSA-N 295.452 3.900 30 20 CHED Cc1ccc(OC(=O)[C@@]2(C#N)CC23CCCC3)c(C)c1 297752456 HAYPMLSESBIPBJ-KRWDZBQOSA-N 269.344 3.683 30 20 CHED C=CCOCCCOc1cnccc1-c1ccccc1 478826599 QVADNGQBIYEDSD-UHFFFAOYSA-N 269.344 3.720 30 20 CHED CC(C)ONC(=O)Nc1ccccc1S[C@@H](C)CC#N 296793579 WIBXDRBQPCASLE-NSHDSACASA-N 293.392 3.542 30 20 CHED CC#CCCNC(=O)[C@H](C)c1cccc(CC(C)C)c1 556972464 ZYGHEZXHHLGBKL-OAHLLOKOSA-N 271.404 3.518 30 20 CHED N#Cc1cccc(OCCCNc2cccc(F)c2)c1 477593649 UOPFJWDDGUJRCL-UHFFFAOYSA-N 270.307 3.578 30 20 CHED C=CCC[C@@H](O)CN(CC)[C@H](CC)Cc1ccccc1 472954581 QTCVRWAIDZYRPA-QZTJIDSGSA-N 275.436 3.657 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N(CC#N)c1ccccc1 299181688 PRGLSMTYHWGTJV-UHFFFAOYSA-N 293.370 3.684 30 20 CHED CC#CCN(C)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 647540598 SZAPUVGJSINELB-UHFFFAOYSA-N 297.329 3.713 30 20 CHED CC(=NNc1nccnc1C1CCC1)C1CCSCC1 807992967 UTMSOXXEFKVJHF-UHFFFAOYSA-N 290.436 3.675 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)c2ccsc2)c1 800790459 LPOBVQNQTRFYPR-IIBSKXHVSA-N 261.346 3.642 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Cc1cncc2ccccc12 561634781 JPTRTVQTNQHWES-WMLDXEAASA-N 296.414 3.884 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C(C)=C1CCCC1 804836504 OCRRRRFKKWQNMK-UHFFFAOYSA-N 267.372 3.539 30 20 CHED C=CCCCCCCNC(=O)N[C@H](CC)c1ccncc1 806003820 DEECQGKVCLRNSA-MRXNPFEDSA-N 289.423 3.968 30 20 CHED CCCCCCCCCN(C)C(=O)c1ncc(C)o1 291850630 UZERHCRZVHLNGP-UHFFFAOYSA-N 266.385 3.806 30 20 CHED CC(C)(NCc1ccc(C#N)s1)c1ccccc1F 291758341 RDCDBMLMYAIHOY-UHFFFAOYSA-N 274.364 3.784 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 293158832 AKKJFXCNKZZXSK-LBPRGKRZSA-N 299.374 3.516 30 20 CHED C=CCOc1ccccc1C(=O)N1CC2(CCC2)[C@@H]1C1CC1 291901527 KXIWLVXESUHYME-KRWDZBQOSA-N 297.398 3.656 30 20 CHED C[C@H]1CC[C@@H](CC(=O)N(CCC#N)c2ccc(F)cc2)C1 569898778 DDWMFDIPZOVWLW-UONOGXRCSA-N 288.366 3.899 30 20 CHED C#C[C@H](CC)NC(=O)c1coc2ccc(C(C)C)cc12 804620882 YAQWPWDDIVXDCC-CYBMUJFWSA-N 269.344 3.698 30 20 CHED C=CCC(C)(C)C(=O)N1CC=C(c2cccc(OC)c2)CC1 560219236 CODOIJRAPKQJTJ-UHFFFAOYSA-N 299.414 3.913 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(OCC#N)c1 294534004 PWYBOIBRVVGTKE-CJNGLKHVSA-N 286.375 3.744 30 20 CHED C[C@H]1CCC(=NNc2nccnc2C2CCC2)C[C@@H]1C 807990734 AWADXKTTWUIFIT-RYUDHWBXSA-N 272.396 3.968 30 20 CHED N#CCN(C(=O)[C@H]1CC12CCCCC2)c1ccccc1 479110599 WJRRBMBXIUVXDD-OAHLLOKOSA-N 268.360 3.514 30 20 CHED CCCCN1CCC(N[C@@H](CC)c2ccc(C#N)cc2)CC1 567374464 CIEZZUAIHFSESY-IBGZPJMESA-N 299.462 3.863 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC(C(F)F)CC1 811665260 MWEVJLBRNYSOJK-PZORYLMUSA-N 296.361 3.855 30 20 CHED C=CCC(C)(C)CNC(=O)CCCc1ccc(F)cc1 566418207 CGOPISYBXSGOKI-UHFFFAOYSA-N 277.383 3.867 30 20 CHED CC(=NOCCOC(C)C)c1cccc(C2CC2)c1 814936658 FGPSBUKVSDFWTI-UHFFFAOYSA-N 261.365 3.730 30 20 CHED COc1cc(Cl)cc(C(=O)OCC2(C#N)CCCC2)c1 816009769 MGNMKCVGWIIFTL-UHFFFAOYSA-N 293.750 3.589 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCc1nc(C)cs1 657836214 SZCDXKDXWJOSMF-KBPBESRZSA-N 264.438 3.719 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)CSc1ccc(C)cc1 816158039 JCGDLLCVOVZCJB-GFCCVEGCSA-N 299.386 3.803 30 20 CHED CC(CCCCCCC(=O)O)=NOC/C=C/Cl 814934389 SYZRVBWBCKECKX-QXPAZZFISA-N 261.749 3.557 30 20 CHED N#Cc1ccccc1Cn1cccc1C=NOCCC1CC1 814245138 SNUVGUXITYNSHF-UHFFFAOYSA-N 293.370 3.559 30 20 CHED Cc1cc(C#N)cnc1C(=O)Oc1cccc2ccccc12 814812254 NRECBBPCVWWDKA-UHFFFAOYSA-N 288.306 3.634 30 20 CHED Cc1sccc1C=NNc1nccnc1C1CCC1 814932132 QNDXTFFKOSEXOF-UHFFFAOYSA-N 272.377 3.560 30 20 CHED N#Cc1cccc(-c2nc(C3CCCCCCC3)no2)n1 810303871 UYYPKQYAYJUCLO-UHFFFAOYSA-N 282.347 3.831 30 20 CHED C=CCCCCCN1CCC(CCCN(C)C)CC1 488173533 YDTGYVRGILAKRK-UHFFFAOYSA-N 266.473 3.787 30 20 CHED CCCN(CC#N)Cc1ccc(-c2cccc(F)c2F)o1 483293696 MROBOSCZZOOMSI-UHFFFAOYSA-N 290.313 3.960 30 20 CHED COc1ccc(F)cc1/C=C1/CCc2c(O)cccc2C1=O 812243570 ORDVRIKVHQVHSD-LUAWRHEFSA-N 298.313 3.752 30 20 CHED C(=NOC[C@@H]1CCOC1)c1ccc(C2CCCC2)cc1 812230147 PCDJFAREUJMJES-OAHLLOKOSA-N 273.376 3.731 30 20 CHED COc1ccc([C@@H](OC(=O)CCCC#N)C2CC2)c(C)c1 813081221 KSWLGYWOCVFIMR-KRWDZBQOSA-N 287.359 3.692 30 20 CHED CCCCCC[C@H](CC)C(=O)N[C@@]1(C#N)CC1(C)C 813300663 IVMYCQXFJTVFGP-XJKSGUPXSA-N 264.413 3.791 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(O)c(F)c2)c1 728438993 SWLWTZBARYNSEH-ALCCZGGFSA-N 256.276 3.736 30 20 CHED C#Cc1cccc(N(C(=S)NC(C)(C)C)C(C)C)c1 728226681 ITOSQHPJQSWTNG-UHFFFAOYSA-N 274.433 3.556 30 20 CHED C=CCCc1ccccc1NCc1cnc2n1CCC2 657459537 XFIBSNSNHOZIOJ-UHFFFAOYSA-N 267.376 3.560 30 20 CHED C[C@H](OC(=O)/C=C\c1ccsc1)c1cccc(C#N)c1 727639672 PKADYMJFXNOWCC-FJOGCWAESA-N 283.352 3.937 30 20 CHED C[C@@H]1CCC[C@H]1/N=C/c1cc(Br)ccc1O 729641858 ZWRUUQLCCDEDGY-FKTXRZKZSA-N 282.181 3.762 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]2C[C@H]21 577078621 VCVCPVBONYHZPI-XOYOTBSWSA-N 266.388 3.714 30 20 CHED CCOc1cc(N=Cc2cccc(OC)c2O)ccc1C 727265057 GOGJVMJMMCCEQC-UHFFFAOYSA-N 285.343 3.859 30 20 CHED C#CC1CCN(C(=O)N[C@H](C)c2cccc(C3CC3)c2)CC1 826872985 CKSCXLWGKOOJGP-CQSZACIVSA-N 296.414 3.680 30 20 CHED CC[C@H](NC(=O)C#CC(C)C)c1cccc(Cl)c1 821050800 ZLNHXLLZXSIAFO-AWEZNQCLSA-N 263.768 3.567 30 20 CHED C#C[C@@H](NC(=O)N1CCCCCC1)c1ccc(Cl)cc1 820585123 UZCWQLPJHXGTGS-OAHLLOKOSA-N 290.794 3.600 30 20 CHED C=CC(C)(C)CNC(=O)c1c[nH]cc1Cc1ccccc1 821431504 CNRMZNPWJLZBCO-UHFFFAOYSA-N 282.387 3.548 30 20 CHED C=CCCNC(=O)N1CC[C@H](C)C[C@H]1c1ccc(C)o1 665945263 DJMYZWGORKVNBP-JSGCOSHPSA-N 276.380 3.647 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1sccc1Br 903032823 ZDMOCLZTZZXFGJ-SECBINFHSA-N 299.237 3.855 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C/c1nc(C)c(C)[nH]1)C2=O 901499459 GAQOACXGBTZEGS-OQLLNIDSSA-N 296.370 3.593 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](c1ccccc1)C(F)F 820466428 GPJYPTHZVSBYAX-BXUZGUMPSA-N 267.319 3.711 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@H]1CCC 829501444 FQJKHIFSXMVQMV-OLZOCXBDSA-N 289.341 3.617 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(Oc2ccccc2)cn1 903105974 JUCWYZNNXLQTJQ-CQSZACIVSA-N 293.370 3.828 30 20 CHED N#CCc1ccccc1NC(=O)C/C=C/c1cccc(F)c1 580121575 RQCJFVISWWYRJT-GQCTYLIASA-N 294.329 3.934 30 20 CHED CC#CCCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 499035002 BLEXFSOXHVBVSO-KBPBESRZSA-N 296.197 3.627 30 20 CHED CC(C)CCOc1ccc(NCc2cc(C#N)ccn2)cc1 901394623 YYKUWDVPOYFCAS-UHFFFAOYSA-N 295.386 3.990 30 20 CHED CC(=NNCc1ccc(C)cc1)c1cnn(C(C)C)c1C 835008140 FZFXBFSTOBUOOR-UHFFFAOYSA-N 284.407 3.595 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H]2CCc3ccccc32)c1 731937766 NLSKVEFJTLTJIM-BXUJETTOSA-N 281.355 3.550 30 20 CHED C=CCCCCCNc1cccc(C(=O)N(C)C)c1 581111143 BFKKNWHRKRKTDQ-UHFFFAOYSA-N 260.381 3.547 30 20 CHED N#CC1(CCCCSCCOC2CC2)CCC1 901810434 DZNSWZZURJOQRN-UHFFFAOYSA-N 253.411 3.763 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1ccccc1OC(F)F 903100573 UGMYWCHAVOPTQS-LBPRGKRZSA-N 282.334 3.878 30 20 CHED C=C(C)CCOC(=O)c1cnc(C(C)(C)C)s1 744305253 VUHCETZANVRXBY-UHFFFAOYSA-N 253.367 3.564 30 20 CHED Cc1nc(/C=C2\COc3c(cccc3C(C)C)C2=O)[nH]c1C 901486342 CRIHHGPAMIUEST-MDWZMJQESA-N 296.370 3.809 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(C)ccc1F)CO2 734980116 FULHYDMWODTXPB-MDWZMJQESA-N 298.313 3.801 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](C)c2ccccc2)c1 730434396 LCTSZTWCPJRRAI-CYUIRQCWSA-N 269.344 3.971 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@H]1CCCS1 839435094 IAMUEFPDTBZWTF-OAHLLOKOSA-N 282.368 3.546 30 20 CHED CS[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 839056282 SPBFIGGQXUTOBO-YUELXQCFSA-N 289.400 3.716 30 20 CHED C#CCOc1ccc(CN[C@H](C)Cc2cccc(F)c2)cc1 735508465 ALSOYMLKYFSEHW-OAHLLOKOSA-N 297.373 3.559 30 20 CHED CCC(C)(C)c1ccc(CN(CCC#N)CCOC)cc1 586766016 IWBINRWBIZRVDS-UHFFFAOYSA-N 288.435 3.736 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cccc(-c2ccncc2)c1 903100007 FYOCFWTYKRKPDO-AWEZNQCLSA-N 279.387 3.949 30 20 CHED Cc1c(C)c(C)c(CNC[C@H](C#N)CCC#N)c(C)c1C 584448084 ULUKMZMTQDTQFH-KRWDZBQOSA-N 283.419 3.762 30 20 CHED COc1ccc([C@@H](C)C(C)=NN[C@H](C)C(F)(F)F)cc1 835000651 LKLBXEYWRSJVJN-GXSJLCMTSA-N 288.313 3.715 30 20 CHED Oc1ccccc1/C=N/CCc1ccc(F)cc1Cl 733205044 IKOWXRNXOYMWFX-VCHYOVAHSA-N 277.726 3.846 30 20 CHED O=C(O)c1occc1C=NNc1c(Cl)cccc1Cl 833345973 ILMITLNPUBCJQE-UHFFFAOYSA-N 299.113 3.731 30 20 CHED C=C(C)CN(CC)C(=O)NCC1CCCCCCC1 918114517 MHMGGUGZGBLEHD-UHFFFAOYSA-N 266.429 3.955 30 20 CHED CCC[C@@H](C#N)NC(=O)CCC1CCCCCC1 594001809 MJCPWSHYTBQLJO-AWEZNQCLSA-N 250.386 3.545 30 20 CHED CC[C@](C)(C=NNc1ccccc1C(F)(F)F)OC 834914722 BRAZCSAWLNIQBB-GFCCVEGCSA-N 274.286 3.918 30 20 CHED C#CCN(CC)C(=O)CSc1ccc(C(C)(C)C)cc1 919876513 ZPLUNSZXRDKDIC-UHFFFAOYSA-N 289.444 3.558 30 20 CHED COc1ccc(O)c(/C=N/C[C@H]2CCCc3ccccc32)c1 912962647 XGAKDOHUZSLYFX-OOWUWCJESA-N 295.382 3.940 30 20 CHED CC(C)COc1ccccc1NC(=O)C#Cc1ccccc1 747363252 DJYSYKRDUXPLFL-UHFFFAOYSA-N 293.366 3.712 30 20 CHED CC[C@@H]1CCC1=NNc1cc(C(F)(F)F)ccn1 834984093 NNOPDGFPHQPROE-MRVPVSSYSA-N 257.259 3.688 30 20 CHED CCN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)[C@H](C)C#N 598349214 KAGIRGSIFATGGT-MNOVXSKESA-N 298.308 3.727 30 20 CHED C=C(C)CNC(=S)N(CC)c1ccc(Cl)cc1 745647926 SCJVAFTWCIQWBK-UHFFFAOYSA-N 268.813 3.617 30 20 CHED CC[C@@H](CC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597914358 UXNKSZDZAWNJIT-CVEARBPZSA-N 284.403 3.723 30 20 CHED CCC#C[C@@H](C)N[C@@H](c1ccc(OC)cc1)C1CC1 678893772 TUWCMUIYBWHHAY-CXAGYDPISA-N 257.377 3.538 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccc(C)cc1)C(C)C 918083247 RRHHZHWFSDNZFM-AWEZNQCLSA-N 260.381 3.662 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2Cc3ccccc32)c(OC)c1 741888965 RNNCWRINJVCTEA-MRXNPFEDSA-N 294.350 3.669 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCC#N 916742593 BAPVCQCEABJLDA-RDJZCZTQSA-N 299.418 3.658 30 20 CHED Oc1cccc(/C=N\CCc2csc3ccccc23)c1O 915981218 OOBXLVSLSKTBOI-ZDLGFXPLSA-N 297.379 3.974 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cc(O)ccc1O 916246694 IIIQOOPNNVONIQ-UHFFFAOYSA-N 276.723 3.587 30 20 CHED CCc1cc(C(=O)N(C)[C@H](C)C#N)sc1-c1ccccc1 594037629 OIZXMBMYWRJWGI-GFCCVEGCSA-N 298.411 3.962 30 20 CHED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1cccnc1 590132284 QAASTBDZNLDBGQ-LBPRGKRZSA-N 280.375 3.819 30 20 CHED Cc1cccc(NN=C2[C@H]3CCCO[C@H]3C2(C)C)c1 743416682 ATNFFEUGFWAIQD-UKRRQHHQSA-N 258.365 3.598 30 20 CHED C=CC[C@@H](NC(=O)N(CCC)C(C)C)c1ccncc1 847317978 BFXMDBIYHJUPJX-OAHLLOKOSA-N 275.396 3.529 30 20 CHED CCCCCCC[S@@](=O)Cc1ccccc1C(=O)OC 844288204 LLVGHTWZADWGIA-HXUWFJFHSA-N 296.432 3.692 30 20 CHED N#CCN(C(=O)C=C1CCCC1)c1ccc(Cl)cc1 843611040 RKOLZXIALRRTNY-UHFFFAOYSA-N 274.751 3.697 30 20 CHED N#CCc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)s1 593950909 BVFQKLXUZWRLTE-OAHLLOKOSA-N 299.395 3.787 30 20 CHED CCSc1ccc(C(=O)/C=C/c2cc(C)nn2C)cc1 841486830 ZWGBBXGUIVIFEL-JXMROGBWSA-N 286.400 3.737 30 20 CHED COc1ccc(O)c(/C=N\CCOc2ccc(C)cc2C)c1 743341042 PXZJAEOYWPFVLT-UNOMPAQXSA-N 299.370 3.516 30 20 CHED N#Cc1ncccc1N1CCC[C@@H](c2ccc(F)c(F)c2)C1 599118472 NWVLSDYQPNXIRU-CYBMUJFWSA-N 299.324 3.615 30 20 CHED N#Cc1cc(-c2ccc(C3(C#N)CCC3)s2)ccc1O 593950910 BWEQIEOFAWBGMY-UHFFFAOYSA-N 280.352 3.938 30 20 CHED CCCC(CC)=NNc1cc(CO)ccc1Br 841652798 FIHZBSVRINYDFV-UHFFFAOYSA-N 299.212 3.919 30 20 CHED CCc1ccccc1NN=C1[C@@H]2CCCO[C@H]2C1(C)C 743439040 ZTJZELRZWGWVGM-XJKSGUPXSA-N 272.392 3.852 30 20 CHED COCC#CCOc1c(Cl)cc(Cl)c2cccnc12 685573831 HTIINUTXVVIZNL-UHFFFAOYSA-N 296.153 3.570 30 20 CHED CC[C@H]1CCCC1=NNc1cccc(C(=O)O)c1C 844623828 MUVYYIFOUTXYHJ-NSHDSACASA-N 260.337 3.671 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2coc3ccccc23)c1 746558279 KTRYATJCJBCCIC-UHFFFAOYSA-N 281.271 3.787 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)c2cncc(F)c2)c1O 840711325 QAFRHKLOSYXHSV-FBRGWYAUSA-N 288.322 3.505 30 20 CHED N#Cc1ccc(Nc2cccc(C(=O)OCC3CC3)c2)cc1 741111948 IOTKFVICPYMRGX-UHFFFAOYSA-N 292.338 3.869 30 20 CHED Cc1ccc(-c2noc(CC3(C#N)CCCCC3)n2)o1 596596094 ZSIRUKYDEABTKC-UHFFFAOYSA-N 271.320 3.655 30 20 CHED C#CCCOc1ccc(C=NNc2ccccc2)cc1 920357024 SPAPNHREHBIWFD-UHFFFAOYSA-N 264.328 3.535 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc(Cl)c(F)c1 921253006 HXEUVRQDUQBLKM-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C=C[C@H](OC(=O)CSC(C)C)c1ccccc1 851453623 RVJIOVNCMQPFOL-ZDUSSCGKSA-N 250.363 3.599 30 20 CHED CCCn1nccc1/C=C1\CCOc2cc(C)ccc2C1=O 853007252 RYQSBDDCOBHIKU-WYMLVPIESA-N 296.370 3.650 30 20 CHED CCCCCCCCCC(=O)N1CCCn2nccc21 751122759 UKAWAUKWMPVUQC-UHFFFAOYSA-N 277.412 3.761 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(N)cc1C 758117708 SIRPOGQKBAJNTP-UHFFFAOYSA-N 257.312 3.552 30 20 CHED Cc1cccc(C)c1C=NNCc1cnc2ccccc2c1 755788358 GPXSRMMECHVQMP-UHFFFAOYSA-N 289.382 3.975 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1coc(C2CC2)n1 851143146 JCWVMTIHDAECFS-BXUZGUMPSA-N 275.348 3.844 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 757849694 BYKQMIZSTLMQLW-OAHLLOKOSA-N 272.392 3.601 30 20 CHED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1cncc(F)c1 851082275 CVFSSTNWLJOYQA-LBPRGKRZSA-N 290.338 3.689 30 20 CHED CCCCC=Nn1c(S)nnc1-c1ccc(C)cc1 755512225 GACAUWJUYVPQGB-UHFFFAOYSA-N 274.393 3.566 30 20 CHED CC(C[C@@H]1CCOC1)=NOc1ccccc1C(F)(F)F 754722827 GAHLMGMQWQPJJQ-NSHDSACASA-N 287.281 3.887 30 20 CHED CCC(=CC(=O)N(CC)c1ccc(C#N)cc1)CC 753180994 XGUHPCWGZJTBFT-UHFFFAOYSA-N 256.349 3.658 30 20 CHED Clc1ccc(Cl)c(C=NO[C@H]2CCCCO2)c1 755825212 VXHCSYFMUQAXPS-LBPRGKRZSA-N 274.147 3.871 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](CC)c1cccc(Cl)c1 753084523 PTYKCMVNPFMYPW-UONOGXRCSA-N 278.783 3.502 30 20 CHED CCc1ccccc1NN=Cc1ccccc1OCCOC 751526499 LGOPYFQPFVALRB-UHFFFAOYSA-N 298.386 3.720 30 20 CHED CS/C=C\C(=O)Nc1ccccc1C#Cc1ccccc1 751585449 LNCVGTZSWSOZLF-YPKPFQOOSA-N 293.391 3.902 30 20 CHED C#CC[C@@H](Nc1nc(C(C)C)ns1)c1ccccc1 756957648 YHHBSXYFHXVPAV-CYBMUJFWSA-N 271.389 3.838 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(-c2ccon2)cc1 933719622 GXMMUXCMTDIQMM-CYBMUJFWSA-N 285.347 3.818 30 20 CHED C#CCCCNC(=O)Nc1cccc(COC(C)(C)C)c1 933211658 OFOUBHDQOOEQJA-UHFFFAOYSA-N 288.391 3.537 30 20 CHED COc1cc(OC(=O)C2C[C@H](C)C[C@@H](C)C2)ccc1C#N 767156038 ANPYOTVLQSPNPY-VXGBXAGGSA-N 287.359 3.545 30 20 CHED C#CCN[C@H](C)c1ccc(-c2ccccc2OC)cc1 764598142 CFKRWYYRQWFJBC-CQSZACIVSA-N 265.356 3.646 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1COC(C)(C)C 932533310 RINOPRBSIMITIA-UHFFFAOYSA-N 296.798 3.876 30 20 CHED CCCCC(=NNc1ccc(C(=O)O)cn1)c1ccccc1 763368080 JRQDPIOHNWTXHB-UHFFFAOYSA-N 297.358 3.786 30 20 CHED C[C@H]1CCC(=NNc2cnc3ccccc3n2)C[C@H]1C 767376873 GFAGJJXENLSIHK-NWDGAFQWSA-N 268.364 3.854 30 20 CHED Fc1ccc2c(c1)C(=NOCC(F)(F)F)CCS2 764836339 RZSOGQOXSYZFCK-UHFFFAOYSA-N 279.258 3.605 30 20 CHED CCc1cccc(C)c1NC(=O)c1ccc(CC#N)cc1 58243030 AVSQJMZKAJYXMI-UHFFFAOYSA-N 278.355 3.876 30 20 CHED CCc1ccc(C=NNCc2ccc(C(F)(F)F)cc2)o1 760242457 KRRUPAIPAIIACJ-UHFFFAOYSA-N 296.292 3.985 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)C1CCC(F)(F)CC1 763252670 OSVLKGYLTMJDAI-CQSZACIVSA-N 288.334 3.527 30 20 CHED C#CCCCCc1nc(Cc2c(C)[nH]c3ccccc23)no1 761923844 GFHHAJONJMSFNG-UHFFFAOYSA-N 293.370 3.796 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)C(CC)CC)c1ccncc1 761703417 BGQAFUDMZPNSRR-BBRMVZONSA-N 274.408 3.887 30 20 CHED CO[C@@H](C)C(C)=NNc1ccc(Cl)c(Cl)c1 763163177 GXBOMYZIUUQRDU-QMMMGPOBSA-N 261.152 3.816 30 20 CHED CC(=NOCC(F)(F)F)c1sc(C(C)C)nc1C 764846366 GWVRWPZYZYYQOP-UHFFFAOYSA-N 280.315 3.878 30 20 CHED Cc1ccc(CC2CCN(CCCC#N)CC2)cc1 1116541127 YXJAUCIWXZCGBZ-UHFFFAOYSA-N 256.393 3.553 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCCNc2ccccc2)n1 767195426 XBXUXYVWCONTRC-UHFFFAOYSA-N 294.402 3.775 30 20 CHED Cn1cc(NN=C(CC(C)(C)C)c2ccccc2)cn1 761860047 FVIJLSZDFOUIJV-UHFFFAOYSA-N 270.380 3.673 30 20 CHED CCOCc1ccc(N=Cc2cc(OC)ccc2O)cc1 1116155940 KKKNQOMZCIKEQD-UHFFFAOYSA-N 285.343 3.688 30 20 CHED C=CCNC(=S)Nc1cc(Cl)cc(C(F)(F)F)c1 774203036 WQUSPMVIHYAXHK-UHFFFAOYSA-N 294.729 3.831 30 20 CHED CC(/C=C\C(=O)c1cnn(C)c1C)=C\c1ccccc1 778517420 MHTZZYUWBXZTQP-AZQRDTPRSA-N 266.344 3.571 30 20 CHED CC(/C=C\C(=O)c1cscn1)=C\c1ccccc1 776193477 ZGSAXULNEPGZEO-HVTAIUIQSA-N 255.342 3.986 30 20 CHED CC(=NOC1CCCC1)c1nc2ccc(Cl)cc2n1C 774608378 KZHVZVGOBVTWKS-UHFFFAOYSA-N 291.782 3.910 30 20 CHED C=CCCCOC(=O)c1cc(C)nn1C(CC)CC 775951242 ZMDJQUURZILPRG-UHFFFAOYSA-N 264.369 3.676 30 20 CHED CCCCC[C@@H](CC)C(=O)N(CCC#N)CC(F)(F)F 775764909 LLIDSOZLWQKEGA-GFCCVEGCSA-N 292.345 3.897 30 20 CHED CC(C)Cc1ccc(CC(=O)OCCC(C)(C)C#N)cc1 776369147 MAASIQVGYOFEMB-UHFFFAOYSA-N 287.403 3.911 30 20 CHED CCOc1ccc(NN=C2CCCc3ncccc32)cc1 872378554 BGUXSBKGOUYKRE-UHFFFAOYSA-N 281.359 3.633 30 20 CHED Cc1ccc([C@H](O)CN[C@H](CCC#N)c2ccccc2)cc1 775553847 RCIMKMILXRKZLG-RTBURBONSA-N 294.398 3.663 30 20 CHED C=CC[C@@H](NCc1ccc(C)c(OC)c1)c1ccncc1 774990398 TVILAMZWWUVTMB-QGZVFWFLSA-N 282.387 3.806 30 20 CHED C=CCOc1cccnc1C(=O)N(C)c1ccc(C)cc1C 775143362 DQNNMCXAAMHBGS-UHFFFAOYSA-N 296.370 3.540 30 20 CHED CS[C@@H](C)CCC(=O)O[C@H](C)c1cccc(C#N)c1 773779044 DHOUXTNENGDUOR-NWDGAFQWSA-N 277.389 3.694 30 20 CHED Cc1oc(C)c(C(=O)OCc2ccc(CC#N)cc2)c1C 776110587 WOQADURKVWKZQS-UHFFFAOYSA-N 283.327 3.628 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C\c1ccc2[nH]ccc2c1 776397231 PPKBYZFOCOBSFU-XQRVVYSFSA-N 282.343 3.664 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccsc1C 1125356139 JTNVOFUEAAHHRT-UHFFFAOYSA-N 286.356 3.579 30 20 CHED N#CCc1ccccc1CC(=O)Nc1ccc(C2CC2)cc1 776985818 DMDYPPKWJUOCRE-UHFFFAOYSA-N 290.366 3.811 30 20 CHED CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(C#N)cc1 774267259 OARXPFJMOIXSGL-SWLSCSKDSA-N 253.349 3.688 30 20 CHED C#C[C@H](OC(=O)c1ccc(-c2ccccc2)nc1C)C1CC1 780463553 YQPLOBJAKTVXGF-SFHVURJKSA-N 291.350 3.626 30 20 CHED C[C@@]1(C#N)CCCN(Cn2ccc(=S)c3ccccc32)C1 784013798 OVVSZJHODZFCMO-KRWDZBQOSA-N 297.427 3.954 30 20 CHED C=C(C)CCC(=O)NCCCc1c[nH]c2ccccc12 1120690242 LOACVIGOYAHUFR-UHFFFAOYSA-N 270.376 3.573 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1cccs1 782303356 XAOFDOQATPTFHT-AATRIKPKSA-N 261.371 3.978 30 20 CHED Cc1nccn1CCCCNc1cc(Cl)ccc1C#N 78335972 YAUHGBHXODALIU-UHFFFAOYSA-N 288.782 3.609 30 20 CHED C=C1CCC(C(=O)OCc2ccnc(Cl)c2)CC1 885652424 WLZIIPFYIHWMQX-UHFFFAOYSA-N 265.740 3.525 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc(F)c1C 1126996986 ISARIIKVJPDXMT-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=CCc1ccccc1OC(=O)[C@@H]1CC(=O)c2ccccc21 789345411 QNIVOMXACIVMGN-MRXNPFEDSA-N 292.334 3.691 30 20 CHED CC(C)CNN=Cc1ccc(SC(F)F)cc1 781595450 QQKHXHULOHEHSP-UHFFFAOYSA-N 258.337 3.581 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc2c(=O)[nH]ccc2c1 789069771 AYVFKGYZXWXKIN-TZMCWYRMSA-N 283.375 3.752 30 20 CHED Cc1c(C(=O)OCC(C)(C)C#N)oc2c(F)cccc12 781476985 NBNWAFXURWMIBA-UHFFFAOYSA-N 275.279 3.587 30 20 CHED CC(=NNc1cc(C)ncn1)c1cc2ccccc2s1 780228091 WSIKAFQICNRXRX-UHFFFAOYSA-N 282.372 3.836 30 20 CHED COC1CCC(=NNc2ccc(Cl)cc2[N+](=O)[O-])CC1 783832338 HBDYNWFDNSFIGT-UHFFFAOYSA-N 297.742 3.605 30 20 CHED C=C[C@@](C)(CC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 785559576 ZJGRNGYVHFKPJX-SFHVURJKSA-N 288.435 3.703 30 20 CHED Cc1ccc(C2=CCN(C(=O)CC(C)(C)C#N)CC2)cc1 782073386 ICENFMFLKVTQST-UHFFFAOYSA-N 282.387 3.551 30 20 CHED C#CCCCOC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786337628 PPZSAYSTTFMPPU-CYBMUJFWSA-N 269.344 3.618 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1OC 785976979 YCLLDBVAKTXRGA-LBPRGKRZSA-N 294.782 3.921 30 20 CHED Cc1cc(C#N)nc(NCCC2CC(OC(C)(C)C)C2)c1 893497736 KXQIQFUTJYYBOY-UHFFFAOYSA-N 287.407 3.657 30 20 CHED N#Cc1cc(NC/C=C/Cl)ccc1OC(F)(F)F 799593748 WRTJRAXYGUPFDR-DAFODLJHSA-N 276.645 3.621 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)CCOc2ccccc21 899353557 RHSCKEBGCQDEMK-GXDHUFHOSA-N 294.354 3.657 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1ccc(C#N)cc1 796335913 OBEKTCPGFZTXPJ-MRXNPFEDSA-N 259.349 3.818 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1C=CCCC1 189914233 XSEYXBYYGPLYTO-CQSZACIVSA-N 262.397 3.664 30 20 CHED C=CCCSCCNC1CC(c2ccc(F)cc2)C1 595059408 NQGCMYHZTIHCDB-UHFFFAOYSA-N 279.424 3.971 30 20 CHED CCOCc1cccc(NC(=O)c2ccc(C)c(C#N)c2)c1 799329169 MHUZHRPSUKZIKX-UHFFFAOYSA-N 294.354 3.656 30 20 CHED COc1cccc(/C=N/[C@H]2C[C@H](c3cccc(F)c3)C2)c1O 797785106 TWXANLSSTWVJIJ-GOUKUYRYSA-N 299.345 3.905 30 20 CHED Cc1ccccc1-c1noc(C)c1C(=O)OCCCCC#N 796214056 CDSUUEHMTWXWSA-UHFFFAOYSA-N 298.342 3.809 30 20 CHED C[C@H](OC(=O)c1ncccc1Cl)c1ccc(C#N)cc1 796588014 UAMBGHRDVMJTIR-JTQLQIEISA-N 286.718 3.525 30 20 CHED CCCCCCCC(=O)Nc1ccc(OCOC)cc1 798133039 PNWWVQIMLFSIJT-UHFFFAOYSA-N 279.380 3.968 30 20 CHED CC(=NN1CCC(C(C)(C)C)CC1)c1cncs1 790179325 WEQGXQUSUVMNEC-UHFFFAOYSA-N 265.426 3.625 30 20 CHED C#C[C@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc12)C(C)C 799044999 QEQDYUQNLMOCKP-ZDUSSCGKSA-N 288.778 3.517 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C(F)=C1CCCC1 797172171 MFRPPMIOAOZODH-UHFFFAOYSA-N 287.338 3.726 30 20 CHED C#CC[C@@H](NCCCCC1CCOCC1)c1ccccc1 799153733 FJJDVSBZILWUNL-LJQANCHMSA-N 285.431 3.938 30 20 CHED Cn1c(Cl)cnc1C=NNc1cccc2ccccc12 799479294 MPAREHUCTAEMNK-UHFFFAOYSA-N 284.750 3.673 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1nccn1C)CCC2 790300315 UDBPVGWEQDRAIK-UHFFFAOYSA-N 282.391 3.696 30 20 CHED C#CCC1(C(=O)Nc2cccc3c2CCO3)CCCCC1 794145437 SGEZDXZENASYOO-UHFFFAOYSA-N 283.371 3.534 30 20 CHED Fc1cccc(NN=C2CCCCc3ccccc32)n1 795006524 PARQVKLYIKUMAC-UHFFFAOYSA-N 269.323 3.763 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 593394491 KCAIHPSKPQEVKC-SMDDNHRTSA-N 278.783 3.703 30 20 CHED COCc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 96474168 QNNUSPJMGRCUOS-UHFFFAOYSA-N 286.762 3.970 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2CS[C@H](C(C)C)C2)c1 1308816467 AOUFHUZMICSDGR-GJZGRUSLSA-N 260.406 3.809 30 20 CHED C=CCn1c(SC(C)C)nnc1-c1cccs1 155782211 QVCVZWYXKZYGLK-UHFFFAOYSA-N 265.407 3.693 30 20 CHED CCc1ccc(C(=O)N(CCC#N)C(C)C)cc1CC 1319812857 QBNMWWZSRXAQLQ-UHFFFAOYSA-N 272.392 3.576 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1c1cccc(CC#N)n1 1320656431 RQVSWSBZHUPYKB-ZBFHGGJFSA-N 277.371 3.530 30 20 CHED N#Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cs1 1325110909 ISWONYXXTGUQGY-OUCADQQQSA-N 288.416 3.708 30 20 CHED CCCOc1cc(/C=C/c2cc(C#N)ccn2)ccc1OC 1321003246 AIWWVTGWUIWAKH-GQCTYLIASA-N 294.354 3.921 30 20 CHED Cc1cccnc1NN=C1CCOc2c(C)ccc(C)c21 1320815116 WCQKFAQQZPZHOB-UHFFFAOYSA-N 281.359 3.606 30 20 CHED Cc1ccc(Cc2nnc(-c3cccc(C#N)c3)o2)cc1 1322585303 KPLJMOKASFGQCH-UHFFFAOYSA-N 275.311 3.508 30 20 CHED N#CCc1ccc(CSc2ccc3c(c2)CCO3)cc1 1189513983 RESZCFMBHULUBL-UHFFFAOYSA-N 281.380 3.980 30 20 CHED CCc1nc(C#N)cc(SC(CC)(CC)CC)n1 1186089559 UVXSKNNWBOOOCX-UHFFFAOYSA-N 263.410 3.972 30 20 CHED C#Cc1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)cc1 1333586228 CESWESFOSURVFS-UHFFFAOYSA-N 295.304 3.975 30 20 CHED C=CC(C)(C)CC(=O)NCc1cc2cccc(OC)c2o1 1333035431 CAMLNZNMLXFWNI-UHFFFAOYSA-N 287.359 3.660 30 20 CHED C=C1CC(c2noc(CSCc3csc(C)n3)n2)C1 1334422479 LSDPFZXSELLLTN-UHFFFAOYSA-N 293.417 3.702 30 20 CHED CC(C)(C)ON=Cc1csc(NC(=O)OC(C)(C)C)n1 1330730349 YYNQMLIVHWBTDW-UHFFFAOYSA-N 299.396 3.639 30 20 CHED CCc1onc(C)c1C=NNc1ccc(C)c(Cl)c1 1334667573 RNCREWDIRCUUEK-UHFFFAOYSA-N 277.755 3.953 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)NCCCC(F)F 1339897200 YGQZICCXDSDQEU-CQSZACIVSA-N 296.361 3.518 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)[C@@H](C#N)c1cccc(F)n1 1344007213 OKUJGEBWRLBMMB-UPJWGTAASA-N 274.339 3.613 30 20 CHED CC1(C)CC=C(C(=O)[C@@H](C#N)c2cccc(F)n2)CC1 1342617004 AMCIKEQFNOGDIW-LBPRGKRZSA-N 272.323 3.533 30 20 CHED N#Cc1ccc(-c2nnc(C(C3CC3)C3CC3)o2)cc1 1345514263 SYUDZRXITSTETQ-UHFFFAOYSA-N 265.316 3.512 30 20 CHED CCn1c([C@@H](C)CCC#N)nnc1N(C)c1cccc(C)c1 1341268904 FCZUWGPLEHYYOO-AWEZNQCLSA-N 297.406 3.782 30 20 CHED CCCCC[C@@H](C(=O)[C@H](C#N)c1nccn1CC)C(C)C 1349714035 PCYPYAKAFGGDLS-CABCVRRESA-N 289.423 3.932 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2coc3ccc(Cl)cc23)C1 1344687815 UYXYEZNPSWRYJW-MWLCHTKSSA-N 289.718 3.935 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)[C@@H](C#N)c1cccc(F)n1 1357701127 JQQWYTDYDRPFCT-ZFWWWQNUSA-N 296.345 3.584 30 20 CHED Cc1cc(NCc2ccc(C(F)(F)F)cc2)ncc1C#N 1458081987 PJPPKXHUJMVMTQ-UHFFFAOYSA-N 291.276 3.893 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1cc(C#N)ccc1F 1528457007 UYXDSYZCXJUHNU-UHFFFAOYSA-N 297.333 3.777 30 20 CHED CCC(=O)c1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 1532170232 VNAGDQICKRDSMT-UHFFFAOYSA-N 292.338 3.598 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1cc(F)cc(C#N)c1 1544396743 GHCZWAZZTAABMG-CYBMUJFWSA-N 296.345 3.823 30 20 CHED N#Cc1cnc(N2CCC[C@H]2/C=C/c2ccccc2)c(F)c1 1472892786 HLWUKCOWYDGYDV-FDMDGMSGSA-N 293.345 3.775 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1F)c1ccc2c(c1)CCC2 1612209109 UKOBIQGFLBMBQS-LLVKDONJSA-N 281.334 3.754 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1scc(C)c1C#N 1624564553 RVVUKLICXZNINZ-VXGBXAGGSA-N 291.420 3.876 30 20 CHED COc1ccc(N(C)C(=O)Nc2cc(C)cc(C#N)c2)cc1 1625601902 RIAHOSIPGQEAJP-UHFFFAOYSA-N 295.342 3.544 30 20 CHED N#Cc1cc(Oc2ccc(Oc3ccccc3)nc2)ccn1 1639773025 BTKJOQSENAZWAO-UHFFFAOYSA-N 289.294 3.933 30 20 CHED CCN(CCC1C[C@H](C)C[C@@H](C)C1)C[C@H](C)C#N 1641631839 SVUSNFCFWMNBMW-RBSFLKMASA-N 250.430 3.930 30 20 CHED COc1cc(C)ccc1CNc1cc(C)cc(C#N)c1 1651210869 SFRCVGGTLNGSQJ-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CNc1ccc(C)cc1CNc1cccc(C#N)c1 1650844271 KRVZMPRMGXQCHY-UHFFFAOYSA-N 251.333 3.521 30 20 CHED CC1(C)C/C(=C\c2c[nH]c(C(=O)O)c2)C(=O)c2ccccc21 1593842562 PODSMWGPKKNRQB-KPKJPENVSA-N 295.338 3.661 30 20 CHED CC[C@@H]1CC[C@H](C)N1CCCOc1cccc(C#N)c1 124639735 XDAJGDYGDNASGI-GOEBONIOSA-N 272.392 3.590 30 20 CHED CC(C)ON=Cc1ccc(-c2ccc(C(=O)O)cc2)s1 1776077679 QBMHNFUWNOKSKX-UHFFFAOYSA-N 289.356 3.872 30 20 CHED C=CC[C@@H](NCc1ccccc1-c1ccccc1C)C(=O)O 1776185938 XLVBGDLDPCAHOI-GOSISDBHSA-N 295.382 3.781 30 20 CHED CC1(C)CCC(CC(=O)N[C@H](C#N)C(C)(C)C)CC1 161899102 NOZRNIZMANVLBJ-CYBMUJFWSA-N 264.413 3.647 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)nc2ccccc12 165908403 KPRHQZOLGFJJAZ-UHFFFAOYSA-N 274.751 3.536 30 20 CHED Cc1cc(NCc2ccc(C#N)o2)c2cccnc2c1C 151889535 MPIRKAFQDIKAGZ-UHFFFAOYSA-N 277.327 3.928 30 20 CHED C#CCCCCNC(=O)CCc1ccc(-c2ccccc2)o1 156089454 WOJIBEHKDSGCBY-UHFFFAOYSA-N 295.382 3.799 30 20 CHED N#CCOc1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1 154767283 JYHRCQSSGNLNHG-UHFFFAOYSA-N 283.718 3.786 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(CCC#N)Cc2cccnc2)o1 159052549 ZJYGNCDZBJIFGL-RHSMWYFYSA-N 295.386 3.714 30 20 CHED Cc1cc(/C=C2/Cc3c(O)cccc3C2=O)cc(C)c1O 207543403 SKYBQHKJGAVZRX-JYRVWZFOSA-N 280.323 3.537 30 20 CHED N#Cc1ccnc2cc(OCc3ccccc3)ccc12 261508997 YYEHSSNSIIHMRV-UHFFFAOYSA-N 260.296 3.685 30 20 CHED Cc1cccc2c1CC[C@H]2N[C@H](C)CC(C)(C)C#N 925370033 KDFPVPUCOLJRTD-CZUORRHYSA-N 256.393 3.900 30 20 CHED Cc1cc(C)c(C#N)c(N(C)[C@@H]2CCC[C@H](C)C2)n1 25568750 WMNSCLVKPHYIBY-SMDDNHRTSA-N 257.381 3.585 30 20 CHED N#CCc1ccc(NCc2cc(Cl)ccc2O)cc1 37071485 JHFYEKCQFGHSDH-UHFFFAOYSA-N 272.735 3.724 30 20 CHED C[C@H](Nc1cccc(OCC#N)c1)C1CCCCC1 37300660 QLSNSLNGVHJTCF-ZDUSSCGKSA-N 258.365 3.970 30 20 CHED N#Cc1cccc(CN[C@H]2CSCc3ccccc32)c1 37748946 JJPLTQDKXRCPNY-KRWDZBQOSA-N 280.396 3.636 30 20 CHED CCSCC[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 164591617 FUNCTUMGWJVUBN-KGLIPLIRSA-N 292.448 3.771 30 20 CHED Cc1ccc(N(C)Cc2ccc(C#N)cc2F)c(C)c1 48346115 RYQWTCWMLZRSFD-UHFFFAOYSA-N 268.335 3.951 30 20 CHED Cc1cccc(NC(=O)Cc2ccc(C#N)cc2)c1Cl 175154740 JVWVUOOBCBXNAP-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 459868877 WVEQVYLDFLNVNN-SECBINFHSA-N 262.740 3.586 30 20 CHED N#Cc1ccc(OCc2c(Cl)cccc2[N+](=O)[O-])cc1 70163192 FTZKGMIEGHCYQH-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C=CCCCN(C)Cc1ccccc1Br 404142500 GLELKYOLGNAHHK-UHFFFAOYSA-N 268.198 3.847 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)C1CCCC1 610896522 DHCPTEWYTNISGR-SNVBAGLBSA-N 276.767 3.976 30 20 CHED C=C[C@H]1CCCCN1CCCOCc1ccccc1 489450486 RBMGNDYDFABXLJ-KRWDZBQOSA-N 259.393 3.634 30 20 CHED N#CCOc1ccc(NC(C2CCC2)C2CCC2)cc1 383752472 WGOZROZOQMHPMA-UHFFFAOYSA-N 270.376 3.970 30 20 CHED C=CCCCCCCNCc1cn2ccccc2n1 388532513 ZORJVCMAGDPKQU-UHFFFAOYSA-N 257.381 3.560 30 20 CHED C=CCCOC(=O)CSCc1cccc(Cl)c1 729073338 RFNQTTUAPOLRCF-UHFFFAOYSA-N 270.781 3.693 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 397635968 XBUSKBCGTVSPJB-LBPRGKRZSA-N 282.309 3.831 30 20 CHED C=C(C)CCNCCc1cccc(C(F)(F)F)c1 628298933 XBBXUOUBRDKUEY-UHFFFAOYSA-N 257.299 3.804 30 20 CHED C/C=C(\C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 176284384 OYXNXGNIADNIIB-AEBAWRHJSA-N 283.158 3.640 30 20 CHED C#CCOc1ccccc1CNCCc1ccc(Cl)cc1 20552162 LEOLXNCONCIPSB-UHFFFAOYSA-N 299.801 3.684 30 20 CHED CC(=O)Nc1ccc(Cl)cc1NCc1cccc(C#N)c1 178342746 ZGISRWALGUSDGZ-UHFFFAOYSA-N 299.761 3.782 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H](c2ccccc2)CC1 116972452 YYPQZUYVUQXRSP-DOTOQJQBSA-N 286.419 3.930 30 20 CHED CC[C@@H]1CCc2ccccc2N1C(=O)c1cc(C#N)cs1 177432872 NJRMDYAQNLVKFN-CQSZACIVSA-N 296.395 3.991 30 20 CHED C=CCN(C(=O)c1cccc(N(C)C)c1)c1ccccc1 58642043 OOZIQLDPLZAWFM-UHFFFAOYSA-N 280.371 3.585 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1ccccc1C(F)(F)F 112534952 ANSAAYVSNHCASE-NEPJUHHUSA-N 295.308 3.800 30 20 CHED C=C(C)CNCc1ccc(OCCC)c(OCC)c1 119614433 UODXCLSZQJBLHV-UHFFFAOYSA-N 263.381 3.540 30 20 CHED C=CC1CCN(C(=O)[C@H](C)SCc2ccccc2)CC1 110362680 DDZOVJZIBAHHFA-AWEZNQCLSA-N 289.444 3.733 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)c1 60132766 PFIGNOXROWZOSK-GQCTYLIASA-N 283.714 3.813 30 20 CHED C[C@@H](O)[C@](C)(CNc1ccc(C#N)cc1)Cc1ccccc1 302732946 UWSCVPWBQUYQNM-BEFAXECRSA-N 294.398 3.600 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)CCCC(C)C 509015907 XLDIPXBYKOXPFQ-ZDUSSCGKSA-N 272.392 3.811 30 20 CHED C=CC1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 110367065 GZQIOJBRKKFTDC-UHFFFAOYSA-N 298.411 3.848 30 20 CHED Cc1ccc(C)c(NC(=O)CNc2cccc(C#N)c2C)c1 179056757 VNLBNDHHLOBNKB-UHFFFAOYSA-N 293.370 3.534 30 20 CHED C[C@@H](NCc1cccc(OCCCC#N)c1)C1CCC1 119640907 NMNTZRAUDOMZIF-CQSZACIVSA-N 272.392 3.647 30 20 CHED C=CCCCCCN(C)C(=O)CCCC1CCOCC1 409735965 FTWLEYKCGVRZDU-UHFFFAOYSA-N 281.440 3.788 30 20 CHED C=C(C)CNCc1c(Cl)cccc1OC(F)F 119622858 KFPFWCIOLMRTFX-UHFFFAOYSA-N 261.699 3.607 30 20 CHED Cc1cccc(O[C@H](C)CNc2ccc(C#N)cc2)c1 301468429 RITSEUVNFBKONO-CQSZACIVSA-N 266.344 3.746 30 20 CHED C=CCCCSc1nnc(-c2ccncc2)n1CCC 117546254 VUSNTJYHXOWJQD-UHFFFAOYSA-N 288.420 3.808 30 20 CHED CC(C)OC1CCC(Nc2snc(Cl)c2C#N)CC1 301768756 JAJAHKWGQNJMMZ-UHFFFAOYSA-N 299.827 3.816 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C1(C#N)CCCCC1 115139141 MBNDGDDXLXMPRV-NVXWUHKLSA-N 296.414 3.865 30 20 CHED CC[C@]1(C)CCCN(c2snc(Cl)c2C#N)C1 301484394 YMXQRSIEVDLKIB-GFCCVEGCSA-N 269.801 3.685 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C#N)c(Br)c2)CS1 304303109 BNEBTZSRJUWSGI-KCJUWKMLSA-N 297.221 3.627 30 20 CHED C[C@H](CC(=O)N(C)c1cccc(C#N)c1)c1ccc(F)cc1 67935709 GKWBMCVIVMFEBP-CYBMUJFWSA-N 296.345 3.854 30 20 CHED Cc1cccc(CC(=O)N[C@@H](C#N)c2ccccc2Cl)c1 172029448 KDGVZNDLBYCGDO-INIZCTEOSA-N 298.773 3.572 30 20 CHED C=CCCOC(=O)c1cnc(-c2ccccc2F)s1 63236498 IUJMKLXCUKEYPO-UHFFFAOYSA-N 277.320 3.682 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1ccc(F)cc1C#N 177897734 RIHKGEDXLQIDEU-NSHDSACASA-N 277.343 3.597 30 20 CHED C#CCCCCNc1cc(C)nc2c([N+](=O)[O-])cccc12 302044658 XOKZKRBCYMRHQM-UHFFFAOYSA-N 283.331 3.667 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](CC)Cc1ccccc1 176861818 WKSHZDCLHFHKLQ-ZBFHGGJFSA-N 274.408 3.614 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cccc(OCC)c1 68886413 MDEZYPRWTAUOAZ-AWEZNQCLSA-N 290.407 3.754 30 20 CHED CC(C)OC(=O)c1ccc(OCc2cccc(C#N)c2)cc1 32784871 YGJZRUGXSUPDSO-UHFFFAOYSA-N 295.338 3.702 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCC(=O)c1cccs1 63960345 INONAQMKUZPKSZ-UHFFFAOYSA-N 298.367 3.530 30 20 CHED Cc1ccc(F)cc1CNc1ccc(F)cc1OCC#N 181549354 QUKPLIRDQVYUOS-UHFFFAOYSA-N 288.297 3.788 30 20 CHED Cc1ccc(Cl)cc1NC(=O)C1(C#N)CC(C)C1 125724986 IIOIWEXJSWWKNY-UHFFFAOYSA-N 262.740 3.527 30 20 CHED CC(=O)c1ccc(C#N)c(NCC(C)(C)C(C)C)c1 302510428 SGWKNAFLEIEDID-UHFFFAOYSA-N 258.365 3.855 30 20 CHED CC(C)CC[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1 128052521 GBHQSUWCWZTEQL-QGZVFWFLSA-N 284.403 3.989 30 20 CHED CC[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 182117070 BMCDAGDSNXCLCN-CYBMUJFWSA-N 294.354 3.879 30 20 CHED COC(=O)c1ccc(COc2c(C)cc(C#N)cc2C)cc1 303848956 DDJQEEBOUOZORD-UHFFFAOYSA-N 295.338 3.541 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 73481239 YRXSXDOTNLWLSK-KDOFPFPSSA-N 275.351 3.681 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc2c(c1)CCC2 70498890 UYDJXRJGJYVGJM-UHFFFAOYSA-N 276.383 3.679 30 20 CHED C=CCC[C@@H](Nc1ccc(OC)c(OC)c1)C1CC1 182747012 FNZGTWQYLPSYRG-CQSZACIVSA-N 261.365 3.861 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1C 216208991 UFYSWWWMZNAALJ-CYBMUJFWSA-N 294.826 3.873 30 20 CHED C=CCN(CC=C)Cc1ccc(OC)c(OCCC)c1 505865092 VUAAMSSVMQFYDP-UHFFFAOYSA-N 275.392 3.658 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)Cc1ccc(Cl)cc1 410834018 JARNBAXHGWZAIV-DOMZBBRYSA-N 292.810 3.669 30 20 CHED C=CCSCCOc1ccccc1Br 506850033 DYNGHGNTRONKSX-UHFFFAOYSA-N 273.195 3.747 30 20 CHED Cc1c(C(=O)N[C@@H](C)C#N)oc2c1ccc1ccccc12 125638527 CFAONPJTLLFZTD-JTQLQIEISA-N 278.311 3.536 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CC(C)(C)C 127539953 CALVRBBULPCLOA-CYBMUJFWSA-N 296.370 3.804 30 20 CHED N#CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 180769349 XUUSCVVAWUKBAH-INIZCTEOSA-N 270.763 3.737 30 20 CHED Cc1cc(Br)cnc1NCC(C)(C)CC#N 413412824 SPRTWBLACNEFBP-UHFFFAOYSA-N 282.185 3.504 30 20 CHED CC(C)[C@@H](C)[S@](=O)CCC1(C#N)CCCCC1 414232838 DKAZVEJNUQJAJY-CXAGYDPISA-N 255.427 3.644 30 20 CHED N#CCCCC[S@@](=O)Cc1ccc(C(F)F)cc1 185553108 YEGXPJLGEQKSOD-GOSISDBHSA-N 271.332 3.567 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 410220908 UMBORFNYKGBZSI-IUODEOHRSA-N 278.371 3.787 30 20 CHED CC(C)[C@@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 182123278 DZGDFDGEGPWJEC-QWHCGFSZSA-N 274.364 3.598 30 20 CHED C=C(C)CN(C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 181246940 MZLWZKZCUPUTIS-HNNXBMFYSA-N 296.414 3.525 30 20 CHED CCc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)cc1 214918549 XGMICFVZMFUBDK-KTKRTIGZSA-N 268.360 3.923 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc2ccc(OC)cc2c1 185035431 PNIJADKNKFFELG-UHFFFAOYSA-N 282.339 3.803 30 20 CHED C[C@@H](NCCCOc1cccc(C#N)c1)c1ccccc1 181367225 XANXPLPSEJICMD-OAHLLOKOSA-N 280.371 3.678 30 20 CHED CCOC(C)(C)CNc1ccc(Br)cc1C#N 159445928 JQCYWWBLULAMSZ-UHFFFAOYSA-N 297.196 3.548 30 20 CHED N#Cc1ccc(NCc2ncccc2F)c(C(F)(F)F)c1 127577208 SFEVRXABISBPIL-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl 506850167 WVKSWFPIDVUUBB-AAEUAGOBSA-N 290.794 3.768 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 316723536 UKJCGYFVOQJPBV-NWDGAFQWSA-N 299.374 3.606 30 20 CHED CCCCCCCC(=O)NCC(C)(C)c1ccncc1 131653025 QVNGEBDWAMPUPV-UHFFFAOYSA-N 276.424 3.836 30 20 CHED C[C@@]1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC=CCC1 416096691 IFHXKAOWVHTDCE-IEBWSBKVSA-N 294.398 3.798 30 20 CHED CC[C@H]1CCCN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419638913 LDDFZYOPRZHFMY-DOTOQJQBSA-N 297.402 3.520 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2nc(S)oc2c1 188781880 CMLCPONQVIMCLJ-AWEZNQCLSA-N 276.361 3.657 30 20 CHED CCc1ccc(CCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 41519243 BMNAPDABBIZFKX-OAHLLOKOSA-N 298.411 3.823 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)N(C)c1ccccc1C#N 508083033 AAFGSKIXUVVSIE-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED CCOc1ccc(N(CC)C(=O)c2cccc(C#N)c2)cc1 500425366 PJPNLKLVUTZQFA-UHFFFAOYSA-N 294.354 3.624 30 20 CHED N#Cc1cc2c(nc1NCCCC(F)(F)F)CCCC2 130803489 INWREGUFTWVATO-UHFFFAOYSA-N 283.297 3.586 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)C[C@@H](C)c1ccccc1 508931210 OBXXUJWHJUWSBM-CQSZACIVSA-N 296.418 3.581 30 20 CHED C=CCC1(NC(=O)c2c(F)cccc2F)CCCCC1 411061534 FNSNEYQZYUEFBU-UHFFFAOYSA-N 279.330 3.974 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1C 48501948 RYAPHJHDZXNWTQ-CMDGGOBGSA-N 252.313 3.905 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC(C)(C)OC(C)(C)C1 190557400 JSZSQPBPLVAQCY-CYBMUJFWSA-N 272.392 3.509 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCC1)c1c(F)cccc1F 193759211 AMYDPDPJWQGVHE-JTQLQIEISA-N 279.286 3.653 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 429236664 UPOPJKAWELFDTL-GFCCVEGCSA-N 291.310 3.748 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SCC(C)C 48053127 NKHZOGYFVBWULH-UHFFFAOYSA-N 287.432 3.803 30 20 CHED N#Cc1ncccc1N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 428363433 ZBKYWAAIXLEIGL-ZBFHGGJFSA-N 299.761 3.549 30 20 CHED CC[C@@H]1C[C@H](C)CN1c1nc(C(C)(C)C)ccc1C#N 613425868 JJBDVGKOKOZXGO-GXTWGEPZSA-N 271.408 3.876 30 20 CHED CC[C@@H](CSC)N(C)c1nc(C(C)(C)C)ccc1C#N 613431172 SGNOOMIATUCUBU-ZDUSSCGKSA-N 291.464 3.829 30 20 CHED CCCN(CC#N)Cc1ccc2c(c1)CCC(C)(C)O2 511522526 MGMSAGBBWCEJHK-UHFFFAOYSA-N 272.392 3.526 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@@H]2c2cccs2)n1 160328995 YAZCCQKYDJGJHQ-CYBMUJFWSA-N 269.373 3.665 30 20 CHED C=C(CNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21)c1ccccc1 512671190 DSEPBRIWJODZTO-RYQLBKOJSA-N 298.430 3.920 30 20 CHED C=CCCCCN[C@H]1C[C@H](C)N(Cc2ccccc2)C1 380946419 OZQKADSLIHQRSX-WMZOPIPTSA-N 272.436 3.595 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CC(C)(C)C 131955976 DHMJKOLNPWIWNP-DLBZAZTESA-N 298.430 3.887 30 20 CHED Cc1nc(C(O)=Nc2cnc3c(c2)CCCC3)c(C)s1 329492619 ZSUHQOHOJLGGPQ-UHFFFAOYSA-N 287.388 3.670 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H]1c1ccccc1 498853393 WRFVXQUEJLNYCJ-OAHLLOKOSA-N 252.292 3.649 30 20 CHED C=CCCCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 192086436 OIFFXEQQUMHSNS-LSDHHAIUSA-N 283.774 3.865 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CCc3ccccc31)CCC2 338965850 RJYVZFBYZSOBIF-QGZVFWFLSA-N 275.355 3.541 30 20 CHED C=CCc1cccc(F)c1OCc1noc(C(C)(C)C)n1 424101530 NDRIMVMMMRDKPS-UHFFFAOYSA-N 290.338 3.814 30 20 CHED Cc1ccc2sc(C(=O)N[C@H](C)CC#N)c(C)c2c1 335761006 JKFUMLICFGLCLP-SNVBAGLBSA-N 272.373 3.550 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1c(C#N)cccc1[N+](=O)[O-] 425236035 FGBMGJJJUHFQKT-VIFPVBQESA-N 287.241 3.609 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 425626097 SUYOQIGKXYYQOM-GHMZBOCLSA-N 291.782 3.864 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccnc(OC(C)C)c2)no1 424346109 OCNQFYOMVJBGOA-UHFFFAOYSA-N 287.363 3.773 30 20 CHED C=C(C)[C@H](N[C@H](C)CCCCN)c1ccc(F)c(F)c1 423049960 KNAKQIDSUZTQOP-WBMJQRKESA-N 282.378 3.689 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CCC1 190424192 BNXRANMJYCZLDB-HUUCEWRRSA-N 273.351 3.544 30 20 CHED N#CC1(CCCN2CC[C@@H](C3CCCC3)C2)CCOCC1 420963841 OFDVGEDUDYZENR-QGZVFWFLSA-N 290.451 3.599 30 20 CHED C=CCC[C@@H](NCCC(C)(C)C(=O)OC)c1ccccc1 338573484 VEWBJFMUGRTEDD-MRXNPFEDSA-N 289.419 3.873 30 20 CHED C=CCC[C@@H](N[C@H](C)CCCCN)c1ccccc1 422991474 BEZSNMKCQDXVKY-NVXWUHKLSA-N 260.425 3.801 30 20 CHED C#CCCCCC(=O)Nc1ccc(Br)cc1 179609339 LHJPXUOPYGZWCF-UHFFFAOYSA-N 280.165 3.581 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)[C@@H]1C 331203501 RJNTYVNHDFIDKU-LMSBXDPUSA-N 298.430 3.700 30 20 CHED Cc1csc(CN2CC=C(c3ccc(C#N)cc3)CC2)n1 335938202 KEEAOZILXMLUDO-UHFFFAOYSA-N 295.411 3.613 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCC[C@H]1C#N 331127200 OZVUSLFNGNHUTJ-OWCLPIDISA-N 276.424 3.791 30 20 CHED CCCN(CC#N)Cc1cccc(OC2CCCC2)c1 92398112 RBPXABOLRWLUKC-UHFFFAOYSA-N 272.392 3.744 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1OC 92224485 QNJORXUGOCFYDQ-QGZVFWFLSA-N 295.386 3.545 30 20 CHED C=CCCc1ccccc1NC(=O)c1oc(CC)nc1C 512778569 HVJBCLZZWITSRJ-UHFFFAOYSA-N 284.359 3.916 30 20 CHED CC[C@@H](CC#N)N[C@H](C)CCc1c(F)cccc1F 338933786 LPEMHARQRSLUGJ-NEPJUHHUSA-N 266.335 3.568 30 20 CHED C=CCC[C@H](C(=O)N1Cc2cccnc2C1)c1ccccc1 518172191 CPVJRUXHDOEDPQ-KRWDZBQOSA-N 292.382 3.674 30 20 CHED C=CCCC1(C(=O)N(C)Cc2sccc2C)CC1 338746270 VDTQWSRWPIVHNT-UHFFFAOYSA-N 263.406 3.761 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)C(C)(C)c1ccccc1 522664195 LURFUZZTGGAKDO-UONOGXRCSA-N 274.408 3.617 30 20 CHED Cc1cnc(CN(CC(C)C)c2ccc(C#N)cc2)o1 438919074 OJSLZNZBPKVJDS-UHFFFAOYSA-N 269.348 3.517 30 20 CHED C=CCc1ccc(OCc2cncc(F)c2)c(OC)c1 341361570 PLXKIECKLSFEOM-UHFFFAOYSA-N 273.307 3.537 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(CC)cc1 436286178 RQXDLFWUGZJPRK-OLMNPRSZSA-N 273.420 3.881 30 20 CHED C=CCCCCNC(=O)NCc1ccc(C(C)(F)F)cc1 432349256 UUHSJOBRDLPMFN-UHFFFAOYSA-N 296.361 3.954 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 345366660 BSNVSJLERZCDRB-AWEZNQCLSA-N 289.338 3.670 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 521894587 UAVCPUXAJAXMCX-BEFAXECRSA-N 291.398 3.579 30 20 CHED COCCN(CCC#N)Cc1ccc(-c2ccccc2)cc1 604493408 MADJGGIHISPWRB-UHFFFAOYSA-N 294.398 3.716 30 20 CHED CCCCCCCCCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C 247213065 CHJMHIBMHIJOLD-SJORKVTESA-N 296.499 3.926 30 20 CHED CC(C)n1ccnc1SCc1ccc(F)cc1C#N 343199826 HGFITCKLTFDXIP-UHFFFAOYSA-N 275.352 3.767 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 520900545 TZYFWOZFFZZXAT-GFCCVEGCSA-N 289.354 3.741 30 20 CHED N#Cc1cccc(NC(=O)Cc2cccc(C(F)F)c2)c1 344330787 ZGFWBJOWUHGDGZ-UHFFFAOYSA-N 286.281 3.677 30 20 CHED C=CCN(Cc1cc(Br)ccc1OC)C1CC1 538952733 BWUXEPZJMUXKDX-UHFFFAOYSA-N 296.208 3.608 30 20 CHED COc1cccc(/C=C\c2ccncc2C#N)c1OC(C)C 349115319 XJVHQGZXDJLDDR-FPLPWBNLSA-N 294.354 3.919 30 20 CHED COc1cc(C#N)ccc1CNc1c(C)cccc1F 345097051 DJIGIFQELSPGOR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2cc(C)ccc2F)c1 255306398 OTKJCOVYZYVNLT-CLFYSBASSA-N 297.329 3.989 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)C1(C)C 609102423 PESYHSADSYDFEN-HIFRSBDPSA-N 286.350 3.874 30 20 CHED CC(C)(CCC#N)CNC(=O)C/C=C/c1ccccc1F 345883157 KECJMFBKQJYNMX-VMPITWQZSA-N 288.366 3.675 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)c1ccsc1 348540488 HYIXTBXRYTZIAR-LBPRGKRZSA-N 278.421 3.782 30 20 CHED CCOc1ccc(/C=C\c2ccc(C#N)cn2)cc1F 447369521 UZKMPSBCSCJEOL-UTCJRWHESA-N 268.291 3.661 30 20 CHED N#CCC1CCN(Cc2cc(-c3cccs3)on2)CC1 541948698 JWXREQWVAUFXKO-UHFFFAOYSA-N 287.388 3.529 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H](O)C1CCCCC1 609892693 SUYCCWKSYZURBO-OAHLLOKOSA-N 278.783 3.565 30 20 CHED CCCOc1ccc(CNC[C@@H](C)CCC#N)cc1 602515669 BHJOKXHIVYSVER-AWEZNQCLSA-N 260.381 3.505 30 20 CHED O=C(/C=C\c1cncs1)c1ccc(Cl)s1 255621708 REVNWVZWQDRCNA-UPHRSURJSA-N 255.751 3.754 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(C)cc2O)cc1 254973387 XIQGXKVCRBTUST-POHAHGRESA-N 295.338 3.555 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C 539844989 KNVLBDAPMMBHDI-IUODEOHRSA-N 295.810 3.824 30 20 CHED C[C@@H]1CCC[C@H]1Nc1c(C#N)cnc2c(F)cc(F)cc12 352323838 DCQOMACMTHQMGX-YMTOWFKASA-N 287.313 3.985 30 20 CHED N#Cc1ccccc1CSCCNC[C@@H]1C[C@H]2C=C[C@H]1C2 351483790 PKLNQRVTOVSCNP-MPGHIAIKSA-N 298.455 3.593 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccsc1 359107650 PDRVRHDKCWGCKZ-GFCCVEGCSA-N 256.374 3.813 30 20 CHED COCc1cc(C#N)ccc1N[C@H]1CCc2c(O)cccc21 603300076 BEUQEBIFBXDRPF-KRWDZBQOSA-N 294.354 3.510 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1)C1CC1 539010645 ISJGFXWIBOKASE-ZIAGYGMSSA-N 264.413 3.561 30 20 CHED N#Cc1csc(-c2nc([C@@H]3CCc4ccccc43)no2)c1 356557225 GXZDNRBBDMHTBZ-CYBMUJFWSA-N 293.351 3.748 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@H](Cc2ccccc2)C1 445677097 VOUQJELQKHPLCQ-NVXWUHKLSA-N 277.371 3.777 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC(C)(C)C1 352181309 BJDZYXKVUIAYPY-ZDUSSCGKSA-N 271.364 3.567 30 20 CHED C=CCCNC(=O)C1(c2ccc(C)c(OC)c2)CCCC1 617615251 DXFHESJAPOQETE-UHFFFAOYSA-N 287.403 3.508 30 20 CHED N#Cc1cccc(CN2CCCCc3sccc32)c1 619553953 XIJQTCFRDIRNFX-UHFFFAOYSA-N 268.385 3.963 30 20 CHED CC[C@H](NCc1ccc(C#N)c(Cl)c1)C1CCOCC1 619754997 QFUYVMLILDAWJR-INIZCTEOSA-N 292.810 3.506 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C1 354796278 YIGVIRAITRABIF-GFCCVEGCSA-N 290.794 3.720 30 20 CHED CCCCO[C@H]1C[C@H](NCc2cc(C#N)cs2)C1(C)C 530904079 CSNDQZUYLCEKQV-GJZGRUSLSA-N 292.448 3.693 30 20 CHED CO[C@@H](c1ccccc1Cl)[C@H](C)NCCCCC#N 351196385 BPBDQZDSSSWYTL-SWLSCSKDSA-N 280.799 3.699 30 20 CHED C[C@H](CNCc1ccc(C#N)c(Cl)c1)C(C)(C)C 619847216 AOJUTPTWEGLPFQ-LLVKDONJSA-N 264.800 3.983 30 20 CHED CC(C)(C#N)CN=c1ccc2c(Cl)ccc(Cl)c2[nH]1 611618027 GAOUBDLVFDMFRA-UHFFFAOYSA-N 294.185 3.925 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1ccc(OC)cc1 537185674 NNNFVOUPSLCRJM-UONOGXRCSA-N 290.407 3.800 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1N=c1c(C#N)c[nH]c2ccccc12 610280209 HAZWYZZXGKNMMU-ICSRJNTNSA-N 299.377 3.670 30 20 CHED C=CCCC1(C(=O)NCc2ccc(Cl)cc2F)CC1 356890897 CSZSVOHOEDLVOB-UHFFFAOYSA-N 281.758 3.842 30 20 CHED C=C(C)[C@H](CC(=O)NC1CCC(CCC)CC1)OCC 533676823 WWSSABRLGZPYCB-GPANFISMSA-N 281.440 3.833 30 20 CHED C=CCCC1(C(=O)Nc2cnn(C3CCCC3)c2C)CC1 357161193 RFBQPJQYGIVVDW-UHFFFAOYSA-N 287.407 3.992 30 20 CHED CC(C)(C)c1cccc(OCCN[C@@H]2CC[C@@H](C#N)C2)c1 442869992 CIONTGGPTMLKQG-GDBMZVCRSA-N 286.419 3.645 30 20 CHED CN(Cc1ccc(C#N)s1)Cc1c(F)cccc1F 354355096 GURSKJNLXQSHEU-UHFFFAOYSA-N 278.327 3.530 30 20 CHED C=CCOc1cccc(CN2CCS[C@@H](CC)C2)c1 538728268 JSVDKFIOPXDWOK-INIZCTEOSA-N 277.433 3.579 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1cccc(C(C)C)c1)C1CC1 537929583 RUHGKNMNEPIVLC-CQSZACIVSA-N 287.403 3.754 30 20 CHED Cc1ccccc1[C@@H](NC(=O)CC#N)C1CCC(C)CC1 613952441 JXNLYTMHRDUIOZ-RWKZGTHUSA-N 284.403 3.892 30 20 CHED CC[C@H](NCC1(C#N)CCC1)c1cc(F)ccc1F 450683414 SGVRPDLXSJUKSK-AWEZNQCLSA-N 264.319 3.699 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCCCC12CCCC2 458820465 UVQKNXOZQYQSTD-CQSZACIVSA-N 291.439 3.681 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(C2CCC2)c1 361796685 MCNJYYJKBYIRMY-AWEZNQCLSA-N 271.364 3.768 30 20 CHED C=CC(C)(C)C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 452400754 VUXQRDSTUJLISO-HZPDHXFCSA-N 271.404 3.899 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)c(C)s2)C1 617787157 IIJFKARVPAETFW-ZDUSSCGKSA-N 263.406 3.793 30 20 CHED C=C[C@@H](CC(=O)NC1(C)CCCC1)c1ccccc1 270313966 VZGFWKLOZXIULD-AWEZNQCLSA-N 257.377 3.795 30 20 CHED C=C(C)[C@H](N[C@H]1CCO[C@@H](C)C1)c1ccc(F)c(F)c1 274803261 OYFLSDBQRFLBTH-RBOXIYTFSA-N 281.346 3.739 30 20 CHED CCC(=O)c1ccc(Cl)c(NC(=O)CC(C)(C)C#N)c1 279642446 IWQMJTKPRPKDBA-UHFFFAOYSA-N 292.766 3.811 30 20 CHED C=CCC1(NC(=O)NCc2occc2C)CCCCC1 458792249 JCGNUVQHIUQACH-UHFFFAOYSA-N 276.380 3.666 30 20 CHED C[C@H](CN(C)c1cccc(Cl)c1C#N)c1nccs1 450439340 MJMWJJUVHUQPTE-SNVBAGLBSA-N 291.807 3.908 30 20 CHED CC#CC(=O)Nc1cccc(Cl)c1SCC(F)F 277301727 AZDURWCCSOZULM-UHFFFAOYSA-N 289.734 3.659 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC)CCc1ccccc1 624563205 AEWBFVRWDGRLQS-MRXNPFEDSA-N 274.408 3.615 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 279892417 FDEOOEFYCGHLHG-NVXWUHKLSA-N 287.378 3.772 30 20 CHED C=CCCN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273375272 CIQJKQWGFITELF-HZPDHXFCSA-N 263.356 3.554 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC1CCC(CSC)CC1 458934736 SYKJLGCDJNMZDS-YMAMQOFZSA-N 296.480 3.658 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H]1CCCS1)c1ccc(F)c(F)c1 274594470 BRNMJOYCDOBWRG-ZIAGYGMSSA-N 297.370 3.594 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)CCC1CCCCC1 540397102 IFTZRRXGSLDMKR-GOEBONIOSA-N 253.430 3.510 30 20 CHED C=C(C)COCCN[C@@H]1CCCCc2cc(C#N)ccc21 360662566 HBIJVMVPGHAQAY-GOSISDBHSA-N 284.403 3.508 30 20 CHED COc1cccc([C@H]2CCCN2c2nccc(C)c2C#N)c1 273339286 NJUDQHTYEHJINU-QGZVFWFLSA-N 293.370 3.612 30 20 CHED C=CCCN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 467080554 GRYVCRUVUVPYAI-LLVKDONJSA-N 263.406 3.521 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2ccc(F)c(C#N)c2)c1 548412118 UZKKQJAPRKZEID-UHFFFAOYSA-N 282.318 3.591 30 20 CHED N#Cc1ccncc1N[C@H]1C[C@H](c2ccccc2Cl)C1 549698588 KMDMXZMNGKSDGS-JOCQHMNTSA-N 283.762 3.965 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CCC)CCc1ccccc1 464755057 MHVDZVKJBWYUCT-HOCLYGCPSA-N 274.408 3.662 30 20 CHED C=CC[C@H](C)N[C@H](COC)c1cccc(C(F)(F)F)c1 540168988 JBGHNDZUTAYNBV-SMDDNHRTSA-N 287.325 3.947 30 20 CHED C=C(CNC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccccc1 288037239 OCAWSIWDDCRLAZ-AWEZNQCLSA-N 272.392 3.530 30 20 CHED C=C[C@H](C)NC(=O)CCC(=O)c1ccc(CCCC)cc1 465104122 RNEPGAJEZLFGQS-AWEZNQCLSA-N 287.403 3.683 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(N2CCC(C)=N2)cc1 620863175 IPAOGTWMBSXSDZ-UHFFFAOYSA-N 299.418 3.747 30 20 CHED Cc1ccc(F)cc1OCc1ccc(F)cc1C#N 468333606 HRTZFCARSJDFGB-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2c(C)cc(C)nc2s1 636614794 NRQVSOBHTGVCNX-UHFFFAOYSA-N 288.416 3.951 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@@](C)(C#N)C(C)(C)C 464170787 YCSZBSLDPSSEOW-WFASDCNBSA-N 252.402 3.503 30 20 CHED C=C(Cl)CN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 282956117 CFRQPJMKYSSLIS-CABCVRRESA-N 293.794 3.510 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2cccc(Cl)c2)CC1 466530085 PIRDIFISWIUVCL-AWEZNQCLSA-N 277.795 3.843 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@]1(C)CCC[C@H]1C 460058140 YLYLNRKEWUOPDG-SJKOYZFVSA-N 286.375 3.722 30 20 CHED CSc1ccc([C@@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 282510793 YXXKEUZQNACCPN-DYEKYZERSA-N 260.406 3.751 30 20 CHED C=CCOCCSCc1cccc(Br)c1 558808942 ZMBLTCHZGQPZCN-UHFFFAOYSA-N 287.222 3.885 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1OC(C)C 473663422 DBFHOXHCAVTSFS-UHFFFAOYSA-N 276.380 3.952 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C)[C@H](C)C1 555270693 IDLVCGBTLACOLX-QLFBSQMISA-N 290.455 3.850 30 20 CHED C=CCCCC(=O)N1CCC[C@@H](Cc2ccccc2)C1 479684084 JGPOPFPNFCLYRV-KRWDZBQOSA-N 271.404 3.824 30 20 CHED C=CCCCCCCN[C@@H](c1ccccc1)c1nnc[nH]1 290332587 OZUUGEKXUJARNT-INIZCTEOSA-N 284.407 3.620 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 805347267 HMBPZQDFBNWEDQ-ROUUACIJSA-N 298.430 3.550 30 20 CHED CCC(CC)CC(=O)N[C@@](C)(C#N)C1CCCCC1 550748145 OUQBYKAUJIZUAD-INIZCTEOSA-N 264.413 3.791 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccnc(OC(C)C)c2)no1 554798827 HPLAZKNNJBGGNI-MRXNPFEDSA-N 287.363 3.773 30 20 CHED CCN(CC#N)[C@@H](C)c1ccc(C(F)(F)F)cc1 299444167 XPICZFZWTOUDBR-JTQLQIEISA-N 256.271 3.612 30 20 CHED Cc1ccc([C@H]2CCCC2=NN[C@@H]2CCSC2)cc1 807999888 WWBAHLUMCWBPHF-HUUCEWRRSA-N 274.433 3.714 30 20 CHED CCSc1cccc(-c2noc(C3(C#N)CCC3)n2)c1 293047834 PAYNYWKXELYXFU-UHFFFAOYSA-N 285.372 3.794 30 20 CHED CC1(C(=O)OCCCSCC#N)CCCCCC1 805527082 PVKIFRMTUIIXDD-UHFFFAOYSA-N 269.410 3.537 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(SC)c1C 806391650 YYLDCTRHVLUVJF-GFCCVEGCSA-N 276.405 3.640 30 20 CHED CCCCCc1ccc(OCCO[C@@H](C)C#N)cc1 802726798 PYLNIHSWAGFRFV-AWEZNQCLSA-N 261.365 3.727 30 20 CHED C#C[C@H](CC)NC(=O)Nc1sc(-c2ccccc2)nc1C 806408970 ODWFVFXECCCLPQ-CYBMUJFWSA-N 299.399 3.652 30 20 CHED O=C(/C=C\c1cnccn1)c1ccc(-c2ccccc2)o1 809158983 ZKEYRXIGNYKLBI-SREVYHEPSA-N 276.295 3.633 30 20 CHED C/C(=C/C(=O)OCCCC1(C#N)CCOCC1)C(C)(C)C 800176110 XJCPZPXYNGQUMR-OWBHPGMISA-N 293.407 3.623 30 20 CHED C=CCOc1ccc(CNC(=O)c2ccc(F)c(C)c2)cc1 569735077 WEYSSZZCBKMLPL-UHFFFAOYSA-N 299.345 3.629 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCCS1 470649473 UCTREBFQOAKNHJ-INIZCTEOSA-N 289.444 3.877 30 20 CHED N#Cc1ccc(NC(=O)/C=C\c2ccc(Cl)s2)cc1 701275560 NDESCAGNMYYZCI-VURMDHGXSA-N 288.759 3.925 30 20 CHED Cc1ccc([C@H](C)N(C)Cc2ccc(C#N)cn2)c(C)c1 565166460 TVTBOBLLVOPBOB-HNNXBMFYSA-N 279.387 3.763 30 20 CHED C=C[C@H](CC(=O)N(CC)CC1CCC1)c1ccccc1 478291273 QJZYVFHRXGYEBR-MRXNPFEDSA-N 271.404 3.995 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(Cl)cc1C 291465360 OGDQKYZYQVXQPR-ZDUSSCGKSA-N 252.745 3.584 30 20 CHED Cc1ccc(NC(=S)NCC(C)(C)CCC#N)cc1 806597867 OCSLAOOTIYSYDJ-UHFFFAOYSA-N 275.421 3.611 30 20 CHED Fc1ccccc1NN=Cc1c[nH]c(C(F)(F)F)c1 807961224 IKSNBOCMMQOQMZ-UHFFFAOYSA-N 271.217 3.619 30 20 CHED C=C(Cl)COC(=O)c1ccc(Cl)c2ncccc12 801442710 GNHBLKHSYGMBAM-UHFFFAOYSA-N 282.126 3.798 30 20 CHED C=CCCCCNC(=O)c1cnn(C2CCCCC2)c1C 471668386 QFSLNOSHXPXTOQ-UHFFFAOYSA-N 289.423 3.783 30 20 CHED C[C@H]1CCCC(=NNc2nccnc2C2CCC2)[C@H]1C 807991429 LORSEVXMDLYPMC-RYUDHWBXSA-N 272.396 3.968 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(C(F)(F)F)ccc1C 806326991 XREIJUQBSYEQOE-GFCCVEGCSA-N 298.308 3.937 30 20 CHED Cc1cccnc1C(C)(C)CN[C@@H](C)c1cccc(C#N)c1 569798603 MPNUPBWTSDVVAZ-HNNXBMFYSA-N 293.414 3.890 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 486483812 DFSXXGOVDMYSCP-NUEKZKHPSA-N 272.392 3.587 30 20 CHED N#Cc1ccc(CNN=C2CC(c3ccccc3)C2)cc1 814882707 MPBQUICEVKWWEE-UHFFFAOYSA-N 275.355 3.581 30 20 CHED CC(=NNc1nnc(-c2ccccc2)s1)c1ccoc1 814946479 JRCDEQPWOGPACY-UHFFFAOYSA-N 284.344 3.634 30 20 CHED C=CCCCCOC(=O)[C@@](C)(OC)c1ccccc1F 811010721 GHTFIBRRMYOWFC-INIZCTEOSA-N 280.339 3.587 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N 481182388 BKQAUFMTKCLSBJ-WBMJQRKESA-N 260.356 3.756 30 20 CHED C=C(CNC(=O)c1cc(C)n(C2CC2)c1C)c1ccccc1 488915695 SHOWKSKHOCYUSS-UHFFFAOYSA-N 294.398 3.883 30 20 CHED C=CCSc1ccccc1C(=O)N1CCCC(F)(F)C1 650315679 IWKBBQNZTCRUIW-UHFFFAOYSA-N 297.370 3.836 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cnn(CCCC)c1C 488884527 BMULCIUVUKNZQI-CQSZACIVSA-N 290.411 3.564 30 20 CHED CCC(=NN[C@H](C)c1ccncc1)c1cccc(F)c1 819816808 PGRPXHMBGIOEAV-GFCCVEGCSA-N 271.339 3.686 30 20 CHED C=CCn1c(C)nnc1N(C)C1CCC(CCC)CC1 571962027 XAMIYRQKVMWHKH-UHFFFAOYSA-N 276.428 3.568 30 20 CHED C=CCCN[C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]12 658115307 UNORCKRFVXTOBE-GUDVDZBRSA-N 284.447 3.595 30 20 CHED C#C[C@H](C)NC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 812022012 KALSVYHQCXFTLN-VIFPVBQESA-N 299.201 3.549 30 20 CHED COc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(C)c1 577169142 OXZOKUJHLUVDSW-IBGZPJMESA-N 292.382 3.652 30 20 CHED CC(C)[C@H]1CC(=NNc2nc3ccccc3n2C)CS1 814807440 WBHXHGXQLUCHCC-CQSZACIVSA-N 288.420 3.503 30 20 CHED CC(C)CCC=Nn1c(S)nnc1-c1ccccc1 814726490 VWTDQHMVVFEMIW-UHFFFAOYSA-N 274.393 3.504 30 20 CHED C(=NOCC1CC1)c1ccc(Oc2ccccc2)o1 814241293 IPCFARQIKKRCFX-UHFFFAOYSA-N 257.289 3.832 30 20 CHED CC(C)CN(CCC#N)Cc1conc1Cc1ccccc1 816481253 OBPQSNPOLTVDHN-UHFFFAOYSA-N 297.402 3.637 30 20 CHED CO[C@@]1(C)CC(=NNc2ccc(F)c(F)c2F)C1(C)C 814946755 XCQMEGGVAQDMJK-AWEZNQCLSA-N 286.297 3.707 30 20 CHED CCCC(=NNc1ccccc1[N+](=O)[O-])c1ccccn1 814685779 NYUDTIBHKSHYCC-UHFFFAOYSA-N 284.319 3.606 30 20 CHED COc1cccc(SCc2ccc(OCC#N)cc2)c1 729241473 KLSANLWLFQOFMU-UHFFFAOYSA-N 285.368 3.890 30 20 CHED CCC[C@H](C)CC(=O)N[C@@H](C#N)c1ccc(CC)cc1 575903840 CWGSDNPKDDRGQG-BBRMVZONSA-N 272.392 3.756 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(CCC#N)CC(C)(C)C)C1 494380041 ZZWCZMMDWOWBOY-CABCVRRESA-N 278.440 3.991 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccc2ccccc2c1 729936344 QKBIGKJQPXEQSK-UHFFFAOYSA-N 276.343 3.774 30 20 CHED C#Cc1ccc(C(=O)N(CCC(C)C)CCC(C)C)nc1 728807677 DKWIGBGAKDZNAZ-UHFFFAOYSA-N 286.419 3.597 30 20 CHED CC1(C)CN(CCCC2(C#N)CCOCC2)CC(C)(C)C1 499629588 DNKUOCQOJOMHHT-UHFFFAOYSA-N 292.467 3.845 30 20 CHED C=CCCCC[C@H](C)NC[C@](C)(O)c1ccccc1 823875491 CEJUKLSHLHOOLU-RDJZCZTQSA-N 261.409 3.619 30 20 CHED CC(=O)CC1(C(=O)OCCCCC2(C#N)CCC2)CCC1 909238402 AOTYGIBPEOHZLB-UHFFFAOYSA-N 291.391 3.543 30 20 CHED CC(C)n1cc([C@@H](C)Nc2snc(Cl)c2C#N)cn1 733190981 LXHOEKRFTNZOTD-MRVPVSSYSA-N 295.799 3.619 30 20 CHED CCO[C@H]1CC(=NNc2cccc3cnccc23)C1(C)C 736430889 LYOIGAKRUQEWHH-INIZCTEOSA-N 283.375 3.838 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CCCc2occc21 663679693 JKMKLSPCTOHJDO-ZDUSSCGKSA-N 276.380 3.701 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2cccc(C3CC3)c2)nn1 901526373 AIWGRZKXRSYLRU-RMKNXTFCSA-N 281.359 3.633 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1C=NNc1ccccc1 739401227 JHMLWCZIZFVLQC-UHFFFAOYSA-N 275.695 3.694 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]1[C@H]1CCCOC1 582665331 WEKLSPHETKRCNQ-JKSUJKDBSA-N 278.440 3.597 30 20 CHED C=C[C@@H](CCC(=O)O)NC[C@@H](CCC)c1ccccc1 904014527 UIYNLFUQSOIVSL-CVEARBPZSA-N 275.392 3.579 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H]3CCC[C@H](C#N)C3)c[nH]c2c1 839049313 IIBOUWSDAXTQHJ-DZGCQCFKSA-N 296.370 3.644 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C#CC(C)(C)C 837509699 QXYUMFVBYCICAL-QWHCGFSZSA-N 287.378 3.709 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(CC2CCCCC2)no1 903646733 JCUSPHSJXQGQJL-ZFWWWQNUSA-N 276.380 3.641 30 20 CHED N#C[C@@]1(C(=O)OCc2ccc(Cl)s2)CC12CCCC2 837904415 YVJLEKQXBYCNHQ-CQSZACIVSA-N 295.791 3.919 30 20 CHED Cc1ccc(CN(C)C(=O)c2ccc(C)c(C#N)c2)cc1C 837146822 IUQOZHOLRWUNAA-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)C#CC1CC1)CCC2 837503972 LMVVKCVQMWKGJW-GOSISDBHSA-N 281.399 3.717 30 20 CHED C/C(=C(/F)C(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 901171547 KURPWEMBCLRERI-WMJYUBJYSA-N 286.350 3.801 30 20 CHED CC(C)COc1ccccc1C=NN[C@@H](C)C(F)(F)F 834998455 HZALCSGOVGYGGC-NSHDSACASA-N 288.313 3.596 30 20 CHED O=C(c1ccccc1O)N(O)Cc1cccc2ccccc12 900091933 TVXMKPKGAVLMNK-UHFFFAOYSA-N 293.322 3.577 30 20 CHED C=CC[C@H](C(=O)O[C@@H](C)c1csnn1)c1ccccc1 836098790 YNOYNWUJFAXYEI-AAEUAGOBSA-N 288.372 3.502 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)O[C@H]1CCC[C@H](C#N)C1 839047005 BUXWHAIHZDZFPU-INWMFGNUSA-N 289.350 3.630 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(CSCC)cc1 836743482 FWDJMSYSFYQGSP-UHFFFAOYSA-N 284.812 3.814 30 20 CHED Cc1csc(-c2cccc(NC[C@@H](C#N)CCC#N)c2)n1 584287614 UCUAHWGGHRMPOB-CYBMUJFWSA-N 296.399 3.974 30 20 CHED C=CC[C@@H](NC(=O)c1cc(C)n(CC)c1C)c1ccncc1 734457255 ISIAPGWAAANINN-QGZVFWFLSA-N 297.402 3.567 30 20 CHED C=CCCC[C@@H](NCc1ccc(C)c(Cl)c1)C(=O)O 900068146 ABYMFPHRALBYNG-CQSZACIVSA-N 281.783 3.548 30 20 CHED C=CCC[C@@H](NCc1csc(C)n1)c1ccco1 671741955 ALAXXASUDYSVRT-CYBMUJFWSA-N 262.378 3.842 30 20 CHED CC[C@@H](CC(=O)Nc1ccccc1CC#N)C(C)C 583405010 UPEPHJOLCFXGKT-ZDUSSCGKSA-N 258.365 3.763 30 20 CHED CC[C@@H](NCCC[C@@H]1CCCCO1)c1cccc(C#N)c1 902952069 UFSUZFIXLWKISW-ZWKOTPCHSA-N 286.419 3.948 30 20 CHED COc1cccc(NN=C(C)c2sccc2C)c1 733744353 HLLRHEILCVQHCI-UHFFFAOYSA-N 260.362 3.901 30 20 CHED CCCCCOc1ccc(/C=C\C(=O)c2cnccn2)cc1 734751251 KTWLSFUVNFQZAL-YFHOEESVSA-N 296.370 3.942 30 20 CHED C=CCC[C@H](O)CN1CCCC[C@@H]1c1ccccc1OC 675495212 COHVLSNXKXEWDD-DOTOQJQBSA-N 289.419 3.549 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC(C)(C)c2ccccc21 588754683 QHEBIHQQRQHCPI-UHFFFAOYSA-N 299.418 3.824 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc3occc3s2)C1 839050865 CMKVKWRNJLPWIW-VHSXEESVSA-N 275.329 3.733 30 20 CHED CCCCCCCCC(=O)N[C@H](C)c1cnn(CC)c1 837041127 KKKOJFYXSPCCOO-CQSZACIVSA-N 279.428 3.831 30 20 CHED CCc1ccc(CCOC(=O)C2(C#N)CCCCC2)cc1 734292689 NMIHSTKWPCNNMR-UHFFFAOYSA-N 285.387 3.809 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)N1CCC[C@@H](CC#N)C1 595590246 JEWXMYYMGXIRNC-HOCLYGCPSA-N 291.439 3.681 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc2cc(C)ccc2s1 594091625 NZPJMHXAHCHYQH-GFCCVEGCSA-N 272.373 3.584 30 20 CHED C=CCC[C@@H](NC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 834895123 ZINFXVDHJDXRLR-XVLXNVKGSA-N 284.447 3.909 30 20 CHED Cc1cnc(CON=Cc2ccccc2C(F)(F)F)o1 742352285 NUSUXKNIQQLHBK-UHFFFAOYSA-N 284.237 3.553 30 20 CHED C[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CC2(CCCC2)O1 592194029 OFEBYPNDJJEDHD-GJZGRUSLSA-N 284.403 3.653 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1csc(Cl)c1 834998278 SHEUTDRJKDKCJY-LURJTMIESA-N 270.707 3.666 30 20 CHED COc1ccc2ccccc2c1CN1CCC[C@@H](CC#N)C1 597175080 VRBFLDVFKKMTOR-HNNXBMFYSA-N 294.398 3.974 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)[C@@H]1CCOC1 741759189 HDGAYXIXWMCLGQ-SNVBAGLBSA-N 272.270 3.530 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@@H]2CCC[C@@H](C)C2)n1 598854836 VRJJPMSJFYEKIG-BXUZGUMPSA-N 285.391 3.725 30 20 CHED CCOc1ccccc1C=NOCc1cc(C)ccc1OC 745471464 QCQMMHUXSYVQCU-UHFFFAOYSA-N 299.370 3.953 30 20 CHED C#CC1CCN(C(=O)[C@H](CC)CCCCCC)CC1 843707116 MNYWVXMWKNGIMY-MRXNPFEDSA-N 263.425 3.855 30 20 CHED CCCCSCC(=O)Nc1sc(CC)cc1C#N 917878510 QDPNSGFDESWOFJ-UHFFFAOYSA-N 282.434 3.654 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(CC)c(Cl)c1 844660249 KJKFHCXSDQDJPD-SECBINFHSA-N 268.744 3.530 30 20 CHED C[C@@H](C#N)N(C(=O)C[C@@H](C)c1c[nH]c2ccccc12)C1CC1 598136280 GNVFEMYIJLBLSC-OLZOCXBDSA-N 295.386 3.565 30 20 CHED Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 840894763 SJSYLJHQDHVXDL-JZXOWHBKSA-N 299.462 3.664 30 20 CHED CC(C)CC1(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 596503485 LOFYPVJPHHOTTQ-INIZCTEOSA-N 299.418 3.909 30 20 CHED N#CC[C@H]1CCCN(CCCOc2ccc(Cl)cc2)C1 595609723 OFJJMYLPEUZHNR-CQSZACIVSA-N 292.810 3.735 30 20 CHED COc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)c(F)c1 595059588 GVFDKNAEJABNRM-CYBMUJFWSA-N 298.361 3.599 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCCc1ccc(C#N)cc1 597895000 YOKDUZSSLXPNCZ-QGZVFWFLSA-N 286.419 3.679 30 20 CHED COc1ccccc1OCCSCC1(CC#N)CC1 596335557 ZVZPEVUYRBDWKL-UHFFFAOYSA-N 277.389 3.501 30 20 CHED CCCCCCCCOCC(=O)N1C[C@H](C)C[C@@H]1C 741695272 UTHGDQUUWSFIIC-CABCVRRESA-N 269.429 3.620 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2nc(Cl)c(C#N)s2)C1 841224321 KXQZOCMWBGHOMP-BRPSZJMVSA-N 297.811 3.679 30 20 CHED C=CCCCCSCCCS(=O)(=O)c1ccccc1 591380245 MVGSOUWTIITFDA-UHFFFAOYSA-N 298.473 3.940 30 20 CHED C=C[C@H](C)ONC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 845635124 FBPHNPYZAIYSDJ-UONOGXRCSA-N 288.391 3.503 30 20 CHED CCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 595620407 NHLQHEFSAAKLFB-HNNXBMFYSA-N 272.392 3.601 30 20 CHED CC(C)(C(=O)Oc1cccc(OCC#N)c1)C1CCCC1 841346542 ZZNPJRJQFKWDBS-UHFFFAOYSA-N 287.359 3.711 30 20 CHED C#C[C@H](OC(=O)CC[C@@H](C)OC)c1ccc(Cl)cc1F 842353855 QZNXLLWBZOZCOY-YGRLFVJLSA-N 298.741 3.512 30 20 CHED C=CCCNC(=O)Nc1ccccc1SC[C@H](C)C#N 596733029 APXOAEPHVOMVLS-GFCCVEGCSA-N 289.404 3.636 30 20 CHED N#C[C@@H](C(=O)/C=C\C1CCCC1)c1cnc2ccccc2n1 842776792 ZWZXEZAZKQYRTO-CFYYFVFUSA-N 291.354 3.552 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1cccc(C#N)c1 748449848 PCGGDXAEPGMTRW-CABCVRRESA-N 297.379 3.775 30 20 CHED C#CCCCNC(=O)[C@H](C)c1c(Cl)cccc1Cl 742787082 HMMZIURZUCKFNF-SNVBAGLBSA-N 284.186 3.627 30 20 CHED CCCCNN=Cc1ccc(-c2ccc(F)cc2)o1 915966069 LJBYVSVQGKYGBV-UHFFFAOYSA-N 260.312 3.809 30 20 CHED COc1cc(C)c(-c2cccc(C[C@H](C#N)CO)c2)cc1C 592986727 IUYHHYDOWKLBDC-MRXNPFEDSA-N 295.382 3.654 30 20 CHED CCO[C@@H]1C[C@H](/N=C/c2cccc(O)c2O)C1(CC)CC 749845861 URMYEPUFTLVWGG-WCOBSMKMSA-N 291.391 3.501 30 20 CHED N#Cc1ccc(CCSCC2(C#N)CCC2)cc1 596367983 GQASMXYKHGFJQX-UHFFFAOYSA-N 256.374 3.528 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccnc(-c3ccccc3)c2)C1 599087496 IDKUDGHGICWNBG-CRAIPNDOSA-N 291.398 3.921 30 20 CHED C=C[C@@H](C)ON=C(C[C@H]1CCOC1)c1ccc(F)cc1 844624760 JEVGUPRVPSLRNR-CHWSQXEVSA-N 277.339 3.548 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ocnc1C 747368134 NNKDVSDBAXPGGQ-LBPRGKRZSA-N 266.385 3.709 30 20 CHED CC/C(=C/C(=O)O[C@H](C)C#N)c1cccc(Cl)c1 745753522 KPOUHJWLZDSFEN-UBYNWHESSA-N 263.724 3.589 30 20 CHED C=C(CNC(=N)Nc1cc(F)ccc1F)c1ccccc1 849079798 HCKLHIIUHFRMMO-UHFFFAOYSA-N 287.313 3.614 30 20 CHED COc1ccccc1/C=C1\Cc2cc(C)ccc2C1=O 921263676 IMFRSKHSQJRWEV-XNTDXEJSSA-N 264.324 3.826 30 20 CHED COc1ccc(C[C@H](C)CN[C@H](C)CC(C)(C)C#N)cc1 925640497 IGEFVGONKVELSG-LSDHHAIUSA-N 288.435 3.792 30 20 CHED CCOc1ccc(OCCON=Cc2cccs2)cc1 852101061 LQGKYYMRXFBYKQ-UHFFFAOYSA-N 291.372 3.576 30 20 CHED CCc1ccsc1C(=O)O[C@H](C)CC(C)(C)C#N 851209372 FGRPVCCWRDMAHJ-SNVBAGLBSA-N 265.378 3.796 30 20 CHED CSCC1(CCNc2cc(C#N)ccc2C(C)=O)CC1 853792747 CNOSKPBSLNJTNS-UHFFFAOYSA-N 288.416 3.706 30 20 CHED Cc1ccc(C#N)cc1-c1nc([C@@H]2CCOC(C)(C)C2)no1 924091224 MXJRHDPRWSFXNR-CYBMUJFWSA-N 297.358 3.589 30 20 CHED Cc1ccsc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1O 759090169 JODSJIAUMPIRCE-PLNGDYQASA-N 289.312 3.566 30 20 CHED Fc1cccc(F)c1C=NNCc1cccc(Cl)c1 756827519 OXVCBWXBUHCLTL-UHFFFAOYSA-N 280.705 3.742 30 20 CHED N#C[C@@H](OC(=O)[C@H]1CCNc2ccccc21)C1CCCCC1 850030613 OZLOPUCQTFAFGS-DOTOQJQBSA-N 298.386 3.601 30 20 CHED N#Cc1cc(COC(=O)c2cccc(Cl)c2)ccc1F 758909672 LFXILKSBZDYIKY-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#C[C@H](N[C@@H](C)c1cc2ccc(C)cc2o1)[C@H]1CCCO1 756052894 GGCWUYGRVOLZGG-CWRNSKLLSA-N 283.371 3.573 30 20 CHED C#CC[C@H](NC(=O)NC[C@H](C)C(C)(C)C)c1ccccc1 757030713 NJRDHULTQBPBFP-HOCLYGCPSA-N 286.419 3.732 30 20 CHED C=C[C@H](OC(=O)C[C@@H](OCC)C(=C)C)c1ccccc1 851452874 XTFWIBWLUKVPHA-JKSUJKDBSA-N 274.360 3.828 30 20 CHED C#CCCOC(=O)N[C@H](CCC)c1ccc(F)cc1F 859060961 FENJMHIPCUIWIY-CQSZACIVSA-N 281.302 3.556 30 20 CHED C[C@@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccncc1 759307082 SBQHXVCMBKMSPD-UONOGXRCSA-N 294.354 3.751 30 20 CHED C=CCCN=[S@@](=O)(c1ccc(F)cc1)C(F)(F)F 853725163 MKFYGCJHCAKSTP-GOSISDBHSA-N 281.274 3.749 30 20 CHED C#CC[C@@H](Nc1cnc2ccccc2n1)c1ccccc1 756953735 QCURVSOKDLOQTL-OAHLLOKOSA-N 273.339 3.806 30 20 CHED CCCCC[C@@H](C(=O)N1CCC[C@H](C#N)C1)C(C)C 928221652 QYDRPJYADZEVSR-HUUCEWRRSA-N 264.413 3.601 30 20 CHED CCCCCCCCNC(C)(C)c1cnn(C)c1 754867887 RPXRXXOYYRRRKM-UHFFFAOYSA-N 251.418 3.605 30 20 CHED CCC(C[C@H](C)CC)=Nn1cc(Br)cn1 752748462 WVVCHADBRPVRIV-SECBINFHSA-N 272.190 3.696 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C=O)c(C)cc2C)C1 855437417 WCUGMJRDMWTSTF-HNNXBMFYSA-N 285.387 3.544 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@@H](C)n1ccnc1 851143505 LWLMTKRFIZCKQM-KFWWJZLASA-N 276.380 3.512 30 20 CHED Cc1ccc(COC(=O)c2ccccc2CC#N)cc1C 758393770 JWMVMQJHRPKDEL-UHFFFAOYSA-N 279.339 3.727 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1 855254370 JGVMNYPPPCKOAD-CABCVRRESA-N 284.403 3.966 30 20 CHED COCCCC(C)=NNc1cccc(Cl)c1F 759197925 YAYLWRFRFRMGGF-UHFFFAOYSA-N 258.724 3.694 30 20 CHED Cc1ccccc1CCC(=O)OCc1ccc(F)c(C#N)c1 758946870 QFQJVOHZMHKJQQ-UHFFFAOYSA-N 297.329 3.682 30 20 CHED CC1(Cn2ccc(-c3ccc(C#N)cc3)n2)CCC1 853664071 NHOUVCKWGUSNEO-UHFFFAOYSA-N 251.333 3.612 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cc3ccccc3s2)nc1 758373517 YHMSVJNYPKTXQG-UHFFFAOYSA-N 298.327 3.651 30 20 CHED C#Cc1ccc(NC(=O)N(C)[C@H](C)CCCC)cc1 934926580 YNGIBKQERUVBRJ-CYBMUJFWSA-N 258.365 3.710 30 20 CHED C#CCN(Cc1nc(C)c(C)o1)[C@H]1CCCc2ccccc21 933422153 SOADZZRFIZNYIT-SFHVURJKSA-N 294.398 3.804 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccccc1CC(C)(C)C 935401284 XZJRSLQNOPWLAT-AWEZNQCLSA-N 272.392 3.697 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1ccncn1 760334881 SAFJVBJDFULMSU-CVEARBPZSA-N 299.418 3.895 30 20 CHED CCOc1cccc(CCC(=O)OCCC(C)(C)C#N)c1 860171742 ZTIVXLLQZYNFJI-UHFFFAOYSA-N 289.375 3.501 30 20 CHED C/C=C(/C=C\C(=O)OCc1ccc(C#N)cc1F)CC 767656404 BIQAEFLDOGWLEV-GUNAYIFLSA-N 273.307 3.653 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 934666552 RSBPDHQUMJBTOV-UMVBOHGHSA-N 293.432 3.639 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)cc1C 765825564 PXYNSTPRNRHOMO-CLFYSBASSA-N 280.323 3.898 30 20 CHED O=C(C=NOCCCC1CCCC1)Nc1ccccc1 764537008 YSSHVDWHRDPTMS-UHFFFAOYSA-N 274.364 3.598 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 767072265 VTHYUULXZWMXGF-INIZCTEOSA-N 283.415 3.965 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 879854313 VKCOEBMGRYOVEJ-JOCQHMNTSA-N 275.367 3.790 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(C)c(C(F)(F)F)c1 775516076 QCRYYSQOCQNSNV-UHFFFAOYSA-N 284.281 3.547 30 20 CHED C#C[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 775387944 JWRQZFWXFFMZJM-LBPRGKRZSA-N 299.320 3.692 30 20 CHED CC[C@@H](C)c1ccc(OC(=O)c2c[nH]c(C#N)c2)cc1 779194503 VLRITNGENARHIK-LLVKDONJSA-N 268.316 3.619 30 20 CHED O=C1C/C(=C/c2ccc(F)c(F)c2)C(=O)c2ccccc2N1 774143237 CKJXPNGKHLNTBZ-XFFZJAGNSA-N 299.276 3.573 30 20 CHED Cc1ccc(CCC=NNc2ccc3ccccc3n2)cn1 774308331 BWAWDBUORMCOIC-UHFFFAOYSA-N 290.370 3.969 30 20 CHED C[C@@H]1CC(=NOc2ccccc2C(F)(F)F)CCO1 773207002 IGYBIKITZSZJLQ-SECBINFHSA-N 273.254 3.639 30 20 CHED O=C(CC1CCCCCC1)N(O)Cc1ccc(F)cc1 1119615476 LWNFIFPBNNQJHB-UHFFFAOYSA-N 279.355 3.904 30 20 CHED C/C(=C/C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 776111392 FJVRCPWEPYQHDK-SQFISAMPSA-N 291.350 3.899 30 20 CHED C#C[C@H](C)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 772977819 YRFJADSBXNJYIH-FCCIYARUSA-N 273.420 3.511 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)c2ccccc21 779845783 QGMBRHOGSBKSRB-CQSZACIVSA-N 255.361 3.720 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccco1)c1ccccn1 888177608 SPIIFABXVAIKJC-UHFFFAOYSA-N 284.359 3.810 30 20 CHED C[C@H](NN=C1CCC2(CCCO2)CC1)c1ccccc1 788016705 WMTDVUCZHATHHJ-MBIQTGHCSA-N 272.392 3.816 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1ccc(C)cc1 782417167 DYVSWOWNBCHOLY-CQSZACIVSA-N 260.406 3.732 30 20 CHED CCN(Cc1nccs1)[C@H](C)c1ccc(C#N)cc1 269698543 XZDKLXHCPVUMNI-GFCCVEGCSA-N 271.389 3.598 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc(F)c(C)c1 891937965 WRNLHZQILFUAHN-UHFFFAOYSA-N 277.387 3.681 30 20 CHED C[C@H]1CC(=NNc2ccnc(F)c2)c2ccsc2S1 781134209 WLQFEZWJXOCDTR-QMMMGPOBSA-N 293.392 3.983 30 20 CHED CCCCCCCCCCN1CCC[C@H]1C(=O)O 88378993 DBPAVGWJWNLVAP-AWEZNQCLSA-N 255.402 3.676 30 20 CHED C=CC(C)(C)Cc1nc(-c2nnc(-c3ccccc3)o2)no1 896273757 OFJUYDHXLQBTMH-UHFFFAOYSA-N 296.330 3.541 30 20 CHED CCC(CC)COC(=O)/C=C/c1ccccc1C#N 798895313 WTDKYLSWAOVJQN-MDZDMXLPSA-N 257.333 3.551 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc(OCC(F)(F)F)cc1 790183262 KLGKPTMSJGJGJX-SNVBAGLBSA-N 288.313 3.740 30 20 CHED CCN(CCC#N)C(=O)C1CC(C)(C)CC(C)(C)C1 596889538 CRZXKUSWGUAOFF-UHFFFAOYSA-N 264.413 3.601 30 20 CHED Cc1ccc(F)cc1NCc1ccc(C#N)c(F)c1 190313731 ZMVWWEMYYAXONE-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)C(C)(C)C 793518767 OAJXXVRFHXPVCU-GOEBONIOSA-N 286.419 3.872 30 20 CHED C[C@]1(C=NNCc2cccc(Cl)c2)CCCS1 793023963 BKAVPMNUGGUKJS-CYBMUJFWSA-N 268.813 3.701 30 20 CHED CC[C@@H](C)NN=Cc1cc(Br)ccc1Cl 790188956 LZORDRMNGQCKHI-MRVPVSSYSA-N 289.604 3.825 30 20 CHED Cn1cnc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)c1 798231657 JLSZZSYNUBPGLL-ARJAWSKDSA-N 286.718 3.716 30 20 CHED O=C(/C=C/c1sccc1Cl)c1ccnc(F)c1 794718806 LZWVPFQGHDJHFY-OWOJBTEDSA-N 267.712 3.832 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc2c(c1)CCC2 795005924 FYESTHCDGGBWMU-UHFFFAOYSA-N 269.323 3.546 30 20 CHED C=CCCCCC[C@H](C)NCCc1c(C)noc1C 793524646 ISEKSIDVTVJYAO-ZDUSSCGKSA-N 264.413 3.949 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1C1CCCCC1 791070147 RQLDROPJBKPRHO-JKSUJKDBSA-N 276.424 3.543 30 20 CHED C#CCOc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)cc1 797876416 IFQMFAWISRCNNB-WGSAOQKQSA-N 291.394 3.734 30 20 CHED COc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1Br 799722469 HWUGZLKDPBCINX-UWVGGRQHSA-N 295.180 3.562 30 20 CHED Cc1cccc(COC(=O)CCc2ccc(C#N)cc2)c1 792749698 XRKYQGOIFROMEE-UHFFFAOYSA-N 279.339 3.543 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)CCO1 70348182 CTFJHCAYHIOGBX-ZFWWWQNUSA-N 278.783 3.827 30 20 CHED C#C[C@@H](CC)NC(=O)c1cc(C(F)(F)F)ccc1Cl 695017118 KDOLEDNSDNAPIO-VIFPVBQESA-N 289.684 3.500 30 20 CHED C=CCCSCCN[C@@H](C)c1ccncc1Cl 595061078 YEUWYLIWTGDGDV-NSHDSACASA-N 270.829 3.695 30 20 CHED CCCN(CC1CC1)c1nc(C(F)(F)F)ccc1C#N 94335074 VCEQKHXYZMXGGB-UHFFFAOYSA-N 283.297 3.598 30 20 CHED CN1CCC[C@@H]1CCSc1ccc(Cl)cc1C#N 1307310204 JDLSNMOPEXHHLA-CYBMUJFWSA-N 280.824 3.788 30 20 CHED CC1(C)C[C@@H]1Nc1nc2c(c(C#N)c1C#N)CCCCCC2 1307140884 VSIPZOKDPCQKDN-INIZCTEOSA-N 294.402 3.694 30 20 CHED C=C(Br)CN1CCC(CC(C)C)CC1 1307523745 PPOMCVZGBCWTNW-UHFFFAOYSA-N 260.219 3.653 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNc1c(C#N)cccc1C#N 1163184813 JITCDQAVWBWHOE-WWGRRREGSA-N 267.376 3.914 30 20 CHED CC1(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 1318577302 YHBAUUSIYWNAGX-UHFFFAOYSA-N 292.338 3.633 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(C)c(Cl)c1Cl 1324595036 OOBGVQSWPRBSHX-UHFFFAOYSA-N 285.174 3.789 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCCc1ccc(F)cc1F 1321356371 DQTCYPJHTXOAFH-SFHVURJKSA-N 298.336 3.656 30 20 CHED Cn1ccc(NN=C(CC(C)(C)C)c2ccccc2)n1 1338903206 IPDKIVDRZFZEAX-UHFFFAOYSA-N 270.380 3.673 30 20 CHED Cc1ccc(CC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 1330306349 XQINVOWFAPCDSE-RBUKOAKNSA-N 282.431 3.942 30 20 CHED C=C(C)CCC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 1335861157 FBLQKHNCFYIFCQ-RDJZCZTQSA-N 287.403 3.627 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(OCCOC)cc1C 1262274563 BVTYQTWHBXCKBC-CQSZACIVSA-N 291.391 3.561 30 20 CHED CSc1ccccc1C(C)=NN[C@H](C)C(F)(F)F 1261278035 UNHAMXWNELTCBM-SECBINFHSA-N 276.327 3.673 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCOc2c(Cl)cccc21 1353542475 XIBYAUQSORGJMO-CYBMUJFWSA-N 279.767 3.636 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H]2CCC[C@@H]2C)c1 1436706272 PQCFYZKDCIKLQU-GXTWGEPZSA-N 256.349 3.632 30 20 CHED C[C@H]1CC[C@@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 1435508762 ALBYRYXTHGGRHA-YWPYICTPSA-N 257.333 3.599 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1OC)c1cccc(C)c1 1353391345 NRBOBOQBXSURSM-UHFFFAOYSA-N 294.354 3.542 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2-n2cccc2)C1 1436649691 QXKUTAJERSBWDB-HUUCEWRRSA-N 294.354 3.716 30 20 CHED N#CCC1(OC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)CCC1 1518403749 IOECCTNLPOPYOY-WDNDVIMCSA-N 261.365 3.582 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)CC(C)(C)C#N)c1cccs1 1515590916 WJUHTGXSLPCWOK-FZMZJTMJSA-N 290.388 3.822 30 20 CHED CCC(C#N)(CC)C(=O)NCC[C@H](C)CC(C)(C)C 1529049747 XTDSFLPRBWXWAF-ZDUSSCGKSA-N 266.429 3.895 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)c1ccnc(C#N)c1 1458368507 DBMGRTNHQQMUMV-KRWDZBQOSA-N 281.359 3.549 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2Cl)CC(C)(C)O1 226425378 GTCTYQBFGFSMDR-UHFFFAOYSA-N 292.810 3.601 30 20 CHED CC(C)C1CCC(CNC(=O)c2csc(C#N)c2)CC1 1533221159 MBJZHKRVXDGVPM-UHFFFAOYSA-N 290.432 3.812 30 20 CHED O=C(O)c1coc(/C=C/C(=O)c2cc3ccccc3o2)c1 1610866417 KLFFTYQKUSWHMQ-AATRIKPKSA-N 282.251 3.620 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1cccc(C#N)c1 1622820366 NNGKQFYELPBCCS-LSDHHAIUSA-N 285.391 3.895 30 20 CHED CC1(C)C(CNC(=O)Nc2ccc(F)cc2C#N)C1(C)C 1623180277 MXKROTOOBKKQFU-UHFFFAOYSA-N 289.354 3.501 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1557353088 MVBRJCMVSFUHRF-QGZVFWFLSA-N 298.390 3.898 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(C)c(C#N)c1 1627414244 GDAYPIAYVYQSSS-GOSISDBHSA-N 290.366 3.974 30 20 CHED C[C@@H](NCc1cc(O)cc(Cl)c1)c1ccc(C#N)cc1 1648945694 CJMQIYLBNQRGIR-LLVKDONJSA-N 286.762 3.768 30 20 CHED CCc1nc(C#N)cc(S[C@@H](C)c2ccc(OC)cc2)n1 1642148803 YAZIHCHNLPLGJV-NSHDSACASA-N 299.399 3.773 30 20 CHED C[C@@H]1CCC(C)(C)N1Cc1ccc(Cl)cc1C#N 1643397412 DGMRGPMCMBCDSM-LLVKDONJSA-N 262.784 3.975 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)c2ccccc2O1 1657813870 FAKWMQUQODOZNC-UHFFFAOYSA-N 296.345 3.875 30 20 CHED CC(C)[C@@H](CNc1ccc(C#N)cn1)Cc1ccccc1 1651760566 QOSFSOWWMNCTJR-QGZVFWFLSA-N 279.387 3.880 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cc(C#N)ccn1 1658845969 JPTXISXVEGVNSM-DZGCQCFKSA-N 271.408 3.600 30 20 CHED C[C@]1(CNc2ncccc2C#N)CCCc2ccccc21 1651708022 LITZWVPUPCRXHR-GOSISDBHSA-N 277.371 3.659 30 20 CHED CN(C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CCC1 1662084292 CPCYQZGGFPOJKI-UHFFFAOYSA-N 291.420 3.933 30 20 CHED C=CCCC1(C(=O)O)CCN(CCCC(C)(F)F)CC1 1776169705 DSGILAMNFSVPDT-UHFFFAOYSA-N 289.366 3.555 30 20 CHED Cc1c(NN=C[C@@H]2CCC[C@H](C)C2)cccc1C(=O)O 1776087022 DLCCVZSEGFZOPY-WCQYABFASA-N 274.364 3.917 30 20 CHED C=CC[C@H]1CCCN([C@@H](C(=O)O)c2ccc(F)cc2C)C1 1776165283 RPGZVURFOKVGND-XJKSGUPXSA-N 291.366 3.548 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1ccc(C(C)C)cc1 15988506 KJPYFYXCGXTRGR-UHFFFAOYSA-N 295.338 3.909 30 20 CHED CCc1sc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc1C 150799074 QZVZGONDQUWIJM-UHFFFAOYSA-N 295.367 3.615 30 20 CHED C=CCC[C@H](N[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 160022328 UWRLDMNKSHZJRK-NJAFHUGGSA-N 272.436 3.766 30 20 CHED N#CCC[C@@H](Nc1nnc(C2CC2)s1)c1ccccc1 164351244 YTIRRJLKALZUSC-CYBMUJFWSA-N 284.388 3.872 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1F)c1cncc(F)c1 152658067 IVGLXBPBOIKRDV-DAFODLJHSA-N 279.673 3.909 30 20 CHED C=C(C)CNC(=O)c1sc2ccc(F)cc2c1C 152999031 KSOJMPFJHBSKDI-UHFFFAOYSA-N 263.337 3.655 30 20 CHED C#C[C@@H](OC(=O)c1csc(-c2ccccc2C)n1)C1CC1 152328255 IWXLGTMXXFGIHK-OAHLLOKOSA-N 297.379 3.687 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2sccc2C)CC1 152988370 XGEONAGXVMGHNT-AWEZNQCLSA-N 278.465 3.748 30 20 CHED CCC[C@H](C)C(=O)N[C@@H](CCC#N)c1ccccc1 153371969 FMSXVNSREFOXEF-ZFWWWQNUSA-N 258.365 3.584 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(CC(F)(F)F)c1 156135055 RNRNKXSPYYGDTH-LLVKDONJSA-N 299.296 3.605 30 20 CHED C#CCN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 157168457 AXGCWUHVBCLJOD-GFCCVEGCSA-N 270.401 3.711 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1cc(C#N)cs1 154674537 ZSFZRSURWRSBQW-UHFFFAOYSA-N 286.400 3.650 30 20 CHED CSC1(CNC(=O)C2(C#N)CCCCC2)CCCCC1 235076124 CGPPYOKZJKZDBV-UHFFFAOYSA-N 294.464 3.643 30 20 CHED Cc1cc(C)c(C#N)c(N(C)[C@H]2CCC[C@@H](C)C2)n1 25568752 WMNSCLVKPHYIBY-RISCZKNCSA-N 257.381 3.585 30 20 CHED COc1cc(N[C@H](C)c2ccc(C#N)cc2)ccc1F 160116770 DCIRJISNVHYBTL-LLVKDONJSA-N 270.307 3.879 30 20 CHED COc1ccc([C@@H](C)Nc2cccc(F)c2C#N)cc1 36138856 VYXLCHWLBQUEKG-LLVKDONJSA-N 270.307 3.879 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)cc2Cl)cc1 163120692 ZSDUWUPEHDDYDE-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CS[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C1 166721747 KWOIRJGYSWGFOL-AAEUAGOBSA-N 291.376 3.553 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCCC2)c(F)c1 44385394 MWULLXLQABBEKM-UHFFFAOYSA-N 260.312 3.547 30 20 CHED CCC1CCC(N(C)Cc2cccc(C#N)c2)CC1 49024137 NTWHXKPATCBICC-UHFFFAOYSA-N 256.393 3.959 30 20 CHED CCC(C)(C)c1ccc(Oc2cncc(C#N)n2)cc1 401352796 ZAABANSFJZDJHO-UHFFFAOYSA-N 267.332 3.828 30 20 CHED C=CC[C@@H](CC)Nc1cncc(Br)c1 308509194 KCWQDYVAOJNCOY-SNVBAGLBSA-N 255.159 3.611 30 20 CHED C[C@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1Cl 311488664 BQCMCYYWVJWZLP-QMMMGPOBSA-N 293.157 3.828 30 20 CHED C=CCCN(C)Cc1cccc(Br)c1C 467297370 OEOJRSAANAIIDJ-UHFFFAOYSA-N 268.198 3.765 30 20 CHED CCCC[C@@H](C)N(C)c1ncc(C#N)cc1Cl 518208003 KJNJYQDQAJZSSC-SNVBAGLBSA-N 251.761 3.622 30 20 CHED N#CC1(COc2cc(C(F)(F)F)ccc2F)CC1 413010856 AABSCDMFSXXXMK-UHFFFAOYSA-N 259.202 3.527 30 20 CHED C=CCCCCN1CCC[C@H]([C@@H]2CCCCO2)C1 661874231 IZPFUQHWMSQEJW-HOTGVXAUSA-N 251.414 3.624 30 20 CHED CC(C)c1ccc(C(=O)N2CCC(CC#N)CC2)cc1 334213915 DONUCVOMHLTQHP-UHFFFAOYSA-N 270.376 3.576 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccccc1)[C@@H](C)CC 472778825 OLOPBPYKJRIZDS-DOTOQJQBSA-N 261.409 3.614 30 20 CHED CCC[C@H](CNc1nc(C)c(C#N)cc1Cl)OCC 705391159 RRJNTQHAQJIPHA-GFCCVEGCSA-N 281.787 3.532 30 20 CHED CC(C)CC1(NCc2ccc(C#N)cc2Cl)CC1 595832573 XHXQVAXNXNZSAG-UHFFFAOYSA-N 262.784 3.880 30 20 CHED CCCCCCC[C@H](C)NCc1snnc1C 384252672 MZMGVVXQNOXCKF-NSHDSACASA-N 255.431 3.685 30 20 CHED CON=C(C)c1cccc(OCc2ccccc2)c1 915958305 XVSCBEHLJAJLHP-UHFFFAOYSA-N 255.317 3.636 30 20 CHED Cc1cccc(N(C)Cc2ccc(CC#N)cc2)c1 398984195 HFZHYXVBWMPJTK-UHFFFAOYSA-N 250.345 3.698 30 20 CHED C=C(Cl)CN[C@H](C)c1cccc(OC(F)(F)F)c1 773003631 FXAJDOPAIRWHER-SECBINFHSA-N 279.689 3.988 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCc2c(C)cccc21 105290978 LFHYPPPHMNIZJA-INIZCTEOSA-N 272.392 3.590 30 20 CHED CCCCCCCCCN1CCCC[C@@H]1C(=O)O 59265894 CKIVQGCYMHLPQV-CQSZACIVSA-N 255.402 3.676 30 20 CHED C=CCCCC(=O)Nc1cc(NC(=O)C(C)C)ccc1C 175323385 JWFRGNMCIQEEPF-UHFFFAOYSA-N 288.391 3.884 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(F)c(C#N)c1 102955007 ZOVOBAVJPPQAGG-IAQYHMDHSA-N 289.354 3.740 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)[C@H](C#N)c1ccccn1 111944547 NYFWMVHNPXRSGR-GDBMZVCRSA-N 296.395 3.829 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(CSCC)cc1 55120337 OZZOIDFHHZGNIL-UHFFFAOYSA-N 275.417 3.754 30 20 CHED C=CCCCC(=O)N1CCC(COc2ccccc2)CC1 175408718 BPBGMZUXGUFDRH-UHFFFAOYSA-N 287.403 3.660 30 20 CHED CCCn1c(-c2cnn(C(C)C)c2)nc2cc(C#N)ccc21 178982460 SFXCZMVNNZGJMG-UHFFFAOYSA-N 293.374 3.762 30 20 CHED C=C(C)CSCC(=O)Nc1cccc2c1N=S=N2 177865976 CCEZZJWBAYZNOD-UHFFFAOYSA-N 279.390 3.661 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccccc1)C(F)(F)F 117033799 NZBLAQPALYPEDK-CMPLNLGQSA-N 286.297 3.554 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@@H]1C/N=C/c1ccccc1O 118169851 ZHJGOPMNJGFVEC-ZKKVJJGYSA-N 275.392 3.652 30 20 CHED CC(=O)c1ccc(F)cc1OCc1cc(C#N)ccc1F 62748133 DIUVNUZYHRKSNZ-UHFFFAOYSA-N 287.265 3.618 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(Oc2ccccc2)o1 176094155 JEUGQULSLOAMRL-ZDUSSCGKSA-N 298.342 3.694 30 20 CHED N#Cc1cccc(C(=O)NC2(c3ccc(F)cc3)CCC2)c1 63338235 KBCQWVDOAKCPSX-UHFFFAOYSA-N 294.329 3.507 30 20 CHED CC(C)C[C@H](C)Nc1ccc2cc(C#N)ccc2n1 301953272 HVASLUFFMBTDCQ-LBPRGKRZSA-N 253.349 3.953 30 20 CHED CCN(C(=O)CCCc1ccccc1)c1ccc(C#N)cc1 174077378 FCGJLHJJVBSMTB-UHFFFAOYSA-N 292.382 3.934 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 179413886 BTQQPNCCHLLOGN-XVNBXDOJSA-N 288.690 3.539 30 20 CHED CCCCCCC(=O)N[C@]1(C#N)CCC[C@H](C)C1 116811736 BYAVLASUQPWNGE-DZGCQCFKSA-N 250.386 3.545 30 20 CHED CCSc1ccccc1OC(=O)c1cccc(C#N)c1 116111085 FUCICHQYQFFKSX-UHFFFAOYSA-N 283.352 3.889 30 20 CHED N#Cc1cc(F)c(NCc2ccsc2)c(F)c1 111143258 QRDIZYYULZCGBD-UHFFFAOYSA-N 250.273 3.510 30 20 CHED CCC[C@H](Cc1ccccc1)NCc1ccc(C#N)o1 174343447 FVYXHFAQCWKMCA-OAHLLOKOSA-N 268.360 3.652 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccc(SC(C)(C)C)cc1 175626915 MLWULXJRKYMSMB-NSHDSACASA-N 291.420 3.858 30 20 CHED CCS[C@@H](C(=O)Nc1sc(C)c(C)c1C#N)C(C)C 66269776 XSWSFZGXACQXPO-GFCCVEGCSA-N 296.461 3.953 30 20 CHED C=CC[C@@H](CC)NC(=O)c1sccc1Br 281143990 VLPFAJPYRGOSOI-MRVPVSSYSA-N 288.210 3.595 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(F)cc1Cl 178323703 BJLJBPUROLNDLN-FNORWQNLSA-N 292.741 3.726 30 20 CHED C=C(Cl)CN(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 176915290 OTUYGGIZXUWVBA-WBVHZDCISA-N 292.854 3.724 30 20 CHED CN(CC#N)C(=O)c1cc(-c2ccccc2)ccc1Cl 110675428 LACAFADQCMZNQK-UHFFFAOYSA-N 284.746 3.603 30 20 CHED Cc1ccc2c(c1)CCN(c1ccc3cc(C#N)ccc3n1)C2 302720944 LYPCLPJFRURKHQ-UHFFFAOYSA-N 299.377 3.978 30 20 CHED C[C@H](C/N=C(/N)NC1CCCCCC1)Cc1cccs1 305750674 ZYFLIAKLSYCLDW-ZDUSSCGKSA-N 293.480 3.554 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCCCCC#N)CC2 186557204 UEOWVMVIMBDRCF-KRWDZBQOSA-N 299.418 3.790 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)cc(Br)c1 124280805 NYYITDORDOXJAN-UHFFFAOYSA-N 296.208 3.796 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 180948406 XJXALLOUYUOYEU-KBPBESRZSA-N 269.392 3.796 30 20 CHED CC[C@@H](CC#N)NCc1ccc(Oc2cccnc2)c(C)c1 184087829 CNNDLBJEQLGYKE-INIZCTEOSA-N 295.386 3.964 30 20 CHED N#CC1(C(=O)Nc2ccc3c4c(cccc24)CC3)CCC1 128682211 IGLUSFYDKRAUBW-UHFFFAOYSA-N 276.339 3.571 30 20 CHED C=C(Br)CN[C@@H](c1ncccc1C)C(C)C 121916199 IIPNHZGCVHYUHM-GFCCVEGCSA-N 283.213 3.585 30 20 CHED C=C(C)COCCN[C@H](C)c1cc2c(cc1O)CCCC2 186114317 MQWVPEOIGYRERI-CQSZACIVSA-N 289.419 3.514 30 20 CHED CC[C@H](Cc1ccccc1)Nc1ccc(C#N)cc1[N+](=O)[O-] 316622096 RUQKPLKIXZFANR-OAHLLOKOSA-N 295.342 3.900 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1Oc1ccc2ccccc2c1 70789540 GSDFOTSDTHBJOZ-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(C#N)s1 125883639 LXUILEHTIXEJDB-JMSVASOKSA-N 260.406 3.773 30 20 CHED CCN(CCC#N)C(=O)CSc1ccc(C(C)C)cc1 77234937 UXKAPNBNSLNCNL-UHFFFAOYSA-N 290.432 3.664 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCc2c(Cl)cccc21 180767019 JGFMIHYVXLKUPO-AWEZNQCLSA-N 278.783 3.545 30 20 CHED N#Cc1cc(N(C#N)Cc2sccc2Cl)ccc1F 505576083 GLDCXVPCOJXRQP-UHFFFAOYSA-N 291.738 3.900 30 20 CHED Cc1ccc(-c2ccc(C(=O)NCCCCC#N)s2)o1 180937349 UQJZRMHYMQXWRY-UHFFFAOYSA-N 288.372 3.740 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(-c2ccccc2)no1 489442286 SPPFXHIQIVAHDZ-OAHLLOKOSA-N 268.360 3.882 30 20 CHED N#CCSc1cccc(C(=O)OCc2ccccc2)c1 79380954 FWYWWYYJEFJGDB-UHFFFAOYSA-N 283.352 3.659 30 20 CHED CCC(C)(C)C(=O)Nc1ccc(CC#N)cc1Cl 411017706 QHWVRFVXPJVRIE-UHFFFAOYSA-N 264.756 3.781 30 20 CHED N#CCCCOc1cccc(/C=C/C(=O)c2ccncc2)c1 182240028 OFHNSZAIPBCMNS-VOTSOKGWSA-N 292.338 3.660 30 20 CHED C=CCOC(=O)c1sc2cccc(F)c2c1COC 73412616 PVURICNTQKYKHC-UHFFFAOYSA-N 280.320 3.530 30 20 CHED C[C@@H](c1ccc2c(c1)CCC2)[S@](=O)CCCCC#N 417216283 XXYWPZRZOMKRQN-ORAYPTAESA-N 275.417 3.679 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(OC)cc(Cl)c1F 412321007 XNBVLQJSETZFPH-VIFPVBQESA-N 285.746 3.572 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 185623962 WBFQXDBYLJMWSU-IAGOWNOFSA-N 283.415 3.893 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CC)c1cc(F)ccc1F 77579444 RLPBLCCYAFKWCD-IINYFYTJSA-N 282.334 3.680 30 20 CHED C=C(C)CCc1noc(C[C@H]2CCO[C@@H](C(C)C)C2)n1 508663741 HQXKAIXGMZGKDB-UONOGXRCSA-N 278.396 3.572 30 20 CHED C=CCC1(C(=O)Nc2nnc(C(C)(C)C)s2)CCC1 189885690 LQXASWSNIHDOPX-UHFFFAOYSA-N 279.409 3.521 30 20 CHED C=CCOCCSCc1cccc(OC(C)(C)C)n1 419437598 NJEURYUSRRRTLW-UHFFFAOYSA-N 281.421 3.695 30 20 CHED CC1CCC(N(CCCCC#N)C[C@@H]2CCCO2)CC1 75834123 MWTKEOMYMOSLME-JCYILVPMSA-N 278.440 3.740 30 20 CHED CCc1ccccc1CNCc1ccc(O[C@@H](C)C#N)cc1 123612657 HIODYRQYMROOBA-HNNXBMFYSA-N 294.398 3.830 30 20 CHED Cc1ccc(CC[C@@H](C)NCC2(C#N)CCC2)cc1 418144046 SCUBGDVVQJLDDU-OAHLLOKOSA-N 256.393 3.600 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H](C)C(F)(F)F)c1C#N 74729458 KKEGOAKNKAGGQQ-ZCFIWIBFSA-N 290.310 3.628 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H](C#N)C1CCCCC1 182262670 DAZXOQTURHUXHC-XJKSGUPXSA-N 283.375 3.862 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2)C1 507208948 RHKRRQCXEUNLMQ-SFHVURJKSA-N 276.383 3.856 30 20 CHED CC1(C)/C(=C/c2ccc(F)nc2)C(=O)c2ccccc21 186404901 FIXREMGMQUQJEB-NTEUORMPSA-N 267.303 3.778 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 410134456 IJPIFVLQMPDSRT-JQWIXIFHSA-N 299.773 3.717 30 20 CHED CC(C)COc1ccc(CNCC2(C#N)CCC2)cc1 418135568 BADGWPQFUVLOGG-UHFFFAOYSA-N 272.392 3.505 30 20 CHED Cc1csc([C@H](C#N)C(=O)C(C)(C)c2ccccc2)n1 48520402 IAPRHWCWKZATMB-CYBMUJFWSA-N 284.384 3.606 30 20 CHED C=CCCCCCN(C)c1nnc(-c2ccc(C)o2)n1C 508770608 HRCYRFWBRVANKL-UHFFFAOYSA-N 288.395 3.566 30 20 CHED CCSc1cc(CNCC(C)(C)CCC#N)ccn1 189586573 PKQSYADXSTVZQZ-UHFFFAOYSA-N 277.437 3.613 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(OCC2CC2)cc1 504721575 QFDCKRPZZFOUPH-ZZXKWVIFSA-N 276.339 3.912 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)c2c(C)noc2C)CCC1 189790653 WJIBXLVJWCWAHB-ZDUSSCGKSA-N 276.380 3.605 30 20 CHED Cc1ncc(/C(O)=N/C2(Cc3ccccc3)CCCC2)[nH]1 329671929 NIIOEYGBCXCFOO-UHFFFAOYSA-N 283.375 3.578 30 20 CHED C=C(C)CN(CC)C(=O)CCOc1ccc(Cl)cc1 46745844 LOASOVZVOIGVOT-UHFFFAOYSA-N 281.783 3.534 30 20 CHED CC#CCCNC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 502147687 WCSKJKNFSNRAHR-SFHVURJKSA-N 298.430 3.551 30 20 CHED N#Cc1ccccc1OCC1CCC(F)(F)CC1 412973905 BMUSOVULTQUMQL-UHFFFAOYSA-N 251.276 3.763 30 20 CHED C=C[C@](C)(CC)c1nc(COc2ccc(F)cc2)no1 191176681 ZFWGLEVVJZTOMW-OAHLLOKOSA-N 276.311 3.641 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(Cl)s1 190264195 VMMQPUNVCRAXSQ-GFCCVEGCSA-N 257.786 3.620 30 20 CHED CC(C)(C#N)CCCOc1ccc(Cl)cc1[N+](=O)[O-] 87608962 QOTNXVNRODEAHN-UHFFFAOYSA-N 282.727 3.957 30 20 CHED C=CCC[C@H](NC(=O)c1ccncc1)c1ccccc1 133794339 DRDBYGMYSQUCNR-INIZCTEOSA-N 266.344 3.519 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccccc2Br)C1 612155091 NXTJKRZHGYQMIR-AWEZNQCLSA-N 293.208 3.575 30 20 CHED CC(C)c1ccc(CNC(=O)C2(C#N)CCCCC2)cc1 44385838 SOYXXZINEPWBCR-UHFFFAOYSA-N 284.403 3.900 30 20 CHED C=CCCCS[C@@H]1CCc2ccccc2NC1=O 190948758 OGSFLURJXHVLPX-CQSZACIVSA-N 261.390 3.639 30 20 CHED CC(C)c1cccc2c1CCN(C[C@@H](C#N)CCC#N)C2 191892467 VMQPWBJEZHXPEW-OAHLLOKOSA-N 281.403 3.612 30 20 CHED CO[C@@H]1CCC[C@H](C(O)=Nc2cnc3c(c2)CCCC3)C1 329012272 DXXOMQZVGIHBAC-DZGCQCFKSA-N 288.391 3.754 30 20 CHED CC[C@@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)cc1 515081059 QNMBDPPSBPOAJH-OAHLLOKOSA-N 271.751 3.592 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1ccc(SC)cc1 41742098 IJDNQVKZLZYIQF-NSHDSACASA-N 280.462 3.510 30 20 CHED CCN(C(=O)Cc1cccs1)[C@H](C)c1ccc(C#N)cc1 45498938 VXEDALLVFODUPS-CYBMUJFWSA-N 298.411 3.772 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2CCC[C@@H](N)C2)c1 420280384 LEMKJYMRCQXBCR-VXGBXAGGSA-N 297.324 3.506 30 20 CHED Cc1ccc(NC(=O)CNc2ccc(C#N)cc2Cl)cc1 225233798 LKWMUVBZSVDHNL-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)CCc2ccccc2)c1 43986330 CRYHNLCDKPYJOU-OAHLLOKOSA-N 292.382 3.811 30 20 CHED COc1c(C)ccc(NCc2ccc(C#N)c(F)c2)c1C 190336420 UGHRXUCOUIYLJA-UHFFFAOYSA-N 284.334 3.935 30 20 CHED C=CCCCCCNc1ccn(CC(F)(F)F)n1 195451104 WLVAQVHJBDINDZ-UHFFFAOYSA-N 261.291 3.604 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(CCO)cc1)c1ccccc1 190213789 WAVDOOKJUNQMFA-GOSISDBHSA-N 295.382 3.520 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc(Br)ccc1F 161739292 YFFICQYZPVBZHN-QMMMGPOBSA-N 292.579 3.991 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(N(C)C)cc1C 425453731 ZJHZWNGMWVJVRP-UHFFFAOYSA-N 260.381 3.602 30 20 CHED N#Cc1cccc(CNc2ccccc2OC(F)F)c1F 223727876 CLBTVCMTDBITPG-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CCCCOc1ccccc1NC(=O)N(C)[C@H](C)CC#N 86283734 JWDNPLAHUBITAI-CYBMUJFWSA-N 289.379 3.631 30 20 CHED CCCOC1(C/N=C(/O)c2nc(C)oc2C)CCCCC1 330502326 BWQNWZQOPXDAGQ-UHFFFAOYSA-N 294.395 3.726 30 20 CHED CCCCCCCCCCC(=O)NC1CCOCC1 194241889 LKISMRNAMVUQEH-UHFFFAOYSA-N 269.429 3.812 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 510039850 LDUUBHAGMLWHAS-IJEWVQPXSA-N 282.387 3.565 30 20 CHED CC1(C)CCCc2cc(C#N)c(NC[C@@H]3CCCCO3)nc21 428108470 SBIVKQZCIJTDKH-HNNXBMFYSA-N 299.418 3.548 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ncccc2C)n1 92851230 IQAXYOHXOLMIMN-UHFFFAOYSA-N 269.373 3.566 30 20 CHED C[C@H]1CC[C@@H](C)N1Cc1cccc(OCCCC#N)c1 91937533 RGTLTLHRHMZQDU-GASCZTMLSA-N 272.392 3.742 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1cc(Cl)sc1Cl 384219945 RYPKRWZPGYNHIS-NSHDSACASA-N 276.188 3.587 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(O[C@H](C)C#N)cc1 93100837 MXPDNVZCRYMZPP-MRXNPFEDSA-N 299.418 3.739 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)[C@H](C)c1ccccc1 90117855 RVPZPBCLTPMTCM-UONOGXRCSA-N 282.362 3.979 30 20 CHED C[C@H](C(=O)N(C[C@@H](C)C#N)C1CC1)c1cc2ccccc2o1 338303724 WUTBCMRKGDHUSC-STQMWFEESA-N 296.370 3.687 30 20 CHED C[C@@H](CC1CC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 431920001 RPIRYWGVKDJAHX-WMLDXEAASA-N 299.418 3.909 30 20 CHED CCC1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 431736456 BPPGCCRPCLSJTP-UHFFFAOYSA-N 271.364 3.521 30 20 CHED Cc1c[nH]cc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 342920149 XJQHCMQIRCUVGR-MRXNPFEDSA-N 295.386 3.615 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)CC1 438933148 DTHQESRBXVMDGB-KCYZZUKISA-N 276.424 3.791 30 20 CHED CC[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 248754135 PCVDMYBEHCABHC-UWWQBHOKSA-N 284.403 3.769 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(F)cc1F 344317297 WDSDAXCHXJRAOI-UHFFFAOYSA-N 293.338 3.855 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(F)cc1C 434142136 BODFLGSIPRLJFF-UHFFFAOYSA-N 263.356 3.953 30 20 CHED CCc1ccc([C@@H]2CCN(c3ccc(C#N)nc3)C2)cc1 431484738 MQUSTNMJVNAESR-MRXNPFEDSA-N 277.371 3.510 30 20 CHED CCN(CCC#N)Cc1ccc(-c2ccc(C)cc2)o1 349861907 RORXNMHDBZXHGY-UHFFFAOYSA-N 268.360 3.991 30 20 CHED CC(C)(CC(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 434031558 NSIZVLKBEPPUPU-INIZCTEOSA-N 298.430 3.895 30 20 CHED N#CCc1ccc(CNC2(c3nccs3)CCCC2)cc1 342755397 UADJUJJDYIBXOW-UHFFFAOYSA-N 297.427 3.768 30 20 CHED C=CCN(Cc1ccc2ccccc2c1)[C@@H](C)COC 621316678 SXGCUGMHEBLLJH-HNNXBMFYSA-N 269.388 3.863 30 20 CHED CSCc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 340124436 CUGLSMJAVPNHCE-UHFFFAOYSA-N 296.395 3.868 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1nc(-c2ccccc2)cs1 348010366 RPUAGUZZUCKBJK-GFCCVEGCSA-N 283.400 3.764 30 20 CHED C[C@@](C#N)(NC(=O)c1cc(F)cc(F)c1)C1CCCCC1 609638127 BTAZQCHSXVBRKG-INIZCTEOSA-N 292.329 3.557 30 20 CHED C=C(CNc1cc(C(C)=O)ccc1C#N)c1ccccc1 340881212 RXHHLVQCUQHDFH-UHFFFAOYSA-N 276.339 3.886 30 20 CHED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1cccnc1 255752440 ANJNYOCQLFBMDH-YVMONPNESA-N 289.281 3.622 30 20 CHED C[C@@H](CCC#N)CNC1[C@H]2CC[C@H]1Cc1ccccc1C2 602656378 SXILNUMZVXHAGN-WBAXXEDZSA-N 282.431 3.709 30 20 CHED Oc1ccc2ccccc2c1/C=N\C1CCSCC1 255695475 BUVBAKPGHLZJBQ-BOPFTXTBSA-N 271.385 3.860 30 20 CHED C=CCn1c(C)cc(C(=O)COc2ccc(OC)cc2)c1C 255934611 UDJKNEUEVHHYLO-UHFFFAOYSA-N 299.370 3.561 30 20 CHED C=CCC[C@H](NC(=O)NC1CC(C)C1)c1ccccc1 435096612 NJFZXADUZZUQHQ-BCLQGDPASA-N 272.392 3.792 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cn(C)nc1-c1ccccc1 255120060 SQPMSAZDZYVOQO-HJWRWDBZSA-N 292.338 3.885 30 20 CHED CCc1ccc(C(=O)/C=C\c2scnc2C)s1 255102053 QMVPIKTUECWFGK-ALCCZGGFSA-N 263.387 3.972 30 20 CHED C=CCCCC[C@H](C)NCCCc1nccs1 449221792 HFHZMGNNYWGNLJ-ZDUSSCGKSA-N 252.427 3.800 30 20 CHED Cc1cc(N2CCCC2)ccc1NC[C@@H](C)CCC#N 602492223 DQRKDEGGZCKDTL-AWEZNQCLSA-N 271.408 3.947 30 20 CHED Cc1cc(COc2ccc([N+](=O)[O-])c(C)c2)ccc1C#N 447286505 JXWAFEYQQZMTJU-UHFFFAOYSA-N 282.299 3.662 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2ccc3[nH]ccc3c2)n1 440567170 MTGLFIITDXYCOA-UHFFFAOYSA-N 290.370 3.706 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccccc2F)s1 254916757 WHLAMGVWGJRSHB-ALCCZGGFSA-N 257.289 3.655 30 20 CHED N#C[C@@H](S[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 601083887 QHWHTUSUPBWZOH-DLBZAZTESA-N 286.444 3.686 30 20 CHED N#Cc1cccc(NC/C=C\c2ccccc2[N+](=O)[O-])c1 255919916 ORZOYGKRCRAKFG-DAXSKMNVSA-N 279.299 3.592 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccoc3)no2)cc1OC 445455262 CLGBRPAYIYKTNB-UHFFFAOYSA-N 298.298 3.570 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCO[C@]2(CCSC2)C1 449198060 ZNVXGMBBCBMDKK-ARFHVFGLSA-N 283.481 3.766 30 20 CHED COc1cc(NC[C@@H](C)CCC#N)c(OC)cc1Cl 602497504 VNSGBIZUENNVGO-JTQLQIEISA-N 282.771 3.709 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cccc(C#N)n2)C1 602474788 RZTFCMCGKLZJPR-UGSOOPFHSA-N 295.361 3.675 30 20 CHED N#CCC1(CN[C@H](c2ccccc2)C2CCC2)CC1 602792273 NPPIZTKDLVSEDM-MRXNPFEDSA-N 254.377 3.811 30 20 CHED CCc1cccc(OCCSCC2(C#N)CC2)c1 539519706 MPIVQHANFVTXQL-UHFFFAOYSA-N 261.390 3.665 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N1CCCCCC1 352307337 ZFNXZZUSWZIUAV-UHFFFAOYSA-N 287.313 3.765 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@@H]2CCC[C@H]2c2ccccc2)C1 449404390 ZKYVEVPXNZHJFE-UBDQQSCGSA-N 268.404 3.852 30 20 CHED CC[C@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 446841424 PNILDUCQMXASOO-AWEZNQCLSA-N 297.320 3.811 30 20 CHED C=CCCC1(C(=O)N2Cc3ccccc3C3(CC3)C2)CC1 356843508 UASXBUZNZUOVMU-UHFFFAOYSA-N 281.399 3.807 30 20 CHED CCOc1cc(C)ccc1NCc1ccc(C#N)c(OC)c1 440616164 QWSDAVDDHKIQGZ-UHFFFAOYSA-N 296.370 3.886 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCCc2sccc21 619557835 HLEIGJZHUVUOCZ-UHFFFAOYSA-N 286.356 3.504 30 20 CHED C=CCCOCCCCC(=O)N1CC2(CCC2)[C@@H]1C(C)C 359186297 GTNHKMQSUBUWHM-KRWDZBQOSA-N 293.451 3.787 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2ccc3ccccc3c2)C1 442787914 DZQWGWTYMPSWTQ-QAPCUYQASA-N 264.372 3.664 30 20 CHED C=CCN(Cc1c(C)cc(C)c(C(C)=O)c1C)C1CC1 536746407 MEAKRNPENNHXQS-UHFFFAOYSA-N 271.404 3.965 30 20 CHED C[C@H]1CC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 352861839 KKOFNUUGDFFLMW-GWCFXTLKSA-N 282.309 3.855 30 20 CHED C=C(CNCCCc1ccc(C)nc1)c1ccccc1 354179912 GCDJUVLZKCCFQN-UHFFFAOYSA-N 266.388 3.626 30 20 CHED C=C(C)CCNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 615825056 CRZJGTRGEODLTN-IAGOWNOFSA-N 271.404 3.728 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)NCC(C)(C)C#N)c1C 614864047 RPENYILZBYENLF-UHFFFAOYSA-N 296.370 3.843 30 20 CHED CC(C)C[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)N(C)C 611390649 MTEMMHMELGLPAL-IEBWSBKVSA-N 299.462 3.502 30 20 CHED C[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)CC(C)(C)C 610659927 MPFRCIMXMCAGDN-VXGBXAGGSA-N 252.402 3.503 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(OCCC(C)C)cc1 454915421 PKXHSUBWNRZMKL-UHFFFAOYSA-N 288.391 3.599 30 20 CHED CCC(CC)(CNC(=O)C1(C#N)CC(C)C1)c1ccccc1 532081373 LRORFOOTWJTSDW-UHFFFAOYSA-N 298.430 3.800 30 20 CHED C=CCCC1(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 361842613 MHVLSTCFWSYUBJ-UHFFFAOYSA-N 274.320 3.588 30 20 CHED C=CCN(Cc1ccc(OCC(F)(F)F)cc1)C1CC1 536743140 OSMNREVNUACRPQ-UHFFFAOYSA-N 285.309 3.778 30 20 CHED C=C(C)COc1cc(CNC(C)(C)C2CC2)ccc1OC 536552960 SELBNDQOHLCHKP-UHFFFAOYSA-N 289.419 3.928 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)CC(C)(C)C#N 456841744 FYDZZWTZZXZLEF-KGLIPLIRSA-N 264.413 3.649 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2c(Cl)cccc2C#N)CCO1 536660944 RCTTXZYBPBIKDX-GXTWGEPZSA-N 278.783 3.827 30 20 CHED C=CCn1cccc1C(=O)N(C)Cc1ccc(C)c(C)c1 456944615 DYXMCAHTFVQKPN-UHFFFAOYSA-N 282.387 3.563 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cnc(-c3ccco3)s2)C1 618819848 RXIZDPHCFPZUME-HNNXBMFYSA-N 287.388 3.529 30 20 CHED CC(C)C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2F)CCO1 540691345 AWVQJJLKFFTNOG-UONOGXRCSA-N 276.355 3.703 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1C#N 546880433 UJBYVPDKHQNQJZ-VIFPVBQESA-N 287.241 3.609 30 20 CHED CC(C)c1ncc(C(=O)Nc2cccc(CC#N)c2)s1 456762843 ZDGFXHFQIUATLJ-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCCC1 610519856 YNFGKGZKGPXSES-CQSZACIVSA-N 296.414 3.876 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2cccc3ccccc23)C1 612036877 WCPYYMDFHWPQJD-GOSISDBHSA-N 293.370 3.997 30 20 CHED C=CCC1(C(=O)N2CC[C@H](C)C3(CCC3)C2)CCC1 368988426 DRCBLFSUHSVJPT-AWEZNQCLSA-N 261.409 3.772 30 20 CHED CC(C)(C#N)CNC(=O)C(C)(C)c1cccc2ccccc12 450524608 OCYHNXWQDOYADK-UHFFFAOYSA-N 294.398 3.783 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCC2=CCCCC2)cc1 452291858 PBLIMPSMMHDCSJ-UHFFFAOYSA-N 282.387 3.718 30 20 CHED C=C(CNC(=O)[C@@]1(C)CC=CCC1)c1ccccc1 452006389 OBQDIJZOTAJXMM-KRWDZBQOSA-N 255.361 3.562 30 20 CHED C=CCCc1ccccc1NC(=O)NC1CC(C)(F)C1 455388915 VKCQQSUYNNWSGL-UHFFFAOYSA-N 276.355 3.817 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 451416098 GDBHBHBZDDPGLZ-KWCYVHTRSA-N 277.795 3.914 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 453369662 QZWWZOZICQWBGJ-LBPRGKRZSA-N 278.352 3.610 30 20 CHED CC[C@H](N[C@H](C)c1ccccn1)c1ccc(C#N)cc1 278296119 RNLNCPKHCUHNGV-CJNGLKHVSA-N 265.360 3.755 30 20 CHED C=CCCc1noc(C[C@H](C=C)c2ccccc2)n1 453241715 VTNJWKYFFMXCQK-ZDUSSCGKSA-N 254.333 3.701 30 20 CHED C[C@@H]1C[C@H](CCNc2cc(Cl)ccc2C#N)CCO1 541351474 YPWRQZMXAAVBAI-VXGBXAGGSA-N 278.783 3.829 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 361190381 PAQHJOJBNJFMIM-COPLHBTASA-N 281.346 3.979 30 20 CHED C[C@H](CC(C)(C)C)NC1CCN(c2ccc(C#N)cc2)CC1 453435637 UONDPIDONUDTOX-OAHLLOKOSA-N 299.462 3.941 30 20 CHED Cc1cccc2cc(C(=O)N[C@](C)(C#N)C(C)(C)C)oc12 274357777 SOVQALGTRHCTBV-QGZVFWFLSA-N 284.359 3.799 30 20 CHED Cc1cccc(CCCSc2cc(C#N)ccn2)c1 540856580 WUTWCDKPESIAST-UHFFFAOYSA-N 268.385 3.987 30 20 CHED CC[C@H](CC(=O)Nc1cccc(CC#N)c1)C(C)C 456737577 SPRYMXYAAFSWCY-CQSZACIVSA-N 258.365 3.763 30 20 CHED CC/C=C/CNC(=O)c1cn(CCCC#N)c2ccccc12 452608642 YPGOLEZFPNIBKZ-XVNBXDOJSA-N 295.386 3.641 30 20 CHED CC#CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542947216 VXAXYZFNIUUASR-OAHLLOKOSA-N 274.367 3.899 30 20 CHED C=CCN(C(=O)c1ccc(-c2ccccn2)nc1)C(C)(C)C 622945790 SSZKNGROLJNFQJ-UHFFFAOYSA-N 295.386 3.570 30 20 CHED C=CCc1cccc(C(C)C)c1NC(=O)/C=C/CN(C)C 276650579 SHYHXLDQVRYLQH-XYOKQWHBSA-N 286.419 3.595 30 20 CHED CC(C)(C)[C@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 541345353 IOQOAAJSMIPCQB-HNNXBMFYSA-N 279.387 3.979 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(OC(F)F)c1)C1CC1 271547848 OBFHHGBBAYWBFN-UHFFFAOYSA-N 296.317 3.779 30 20 CHED C#CC[C@H](NC(=O)N(CC)C1CCCC1)c1ccccc1 270216451 GWMGBAUNOAIPJW-KRWDZBQOSA-N 284.403 3.725 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](CC(F)(F)F)C(C)C 543624076 KYRPCKQYGXLUJW-MNOVXSKESA-N 280.334 3.617 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)CC)cc1 628693690 KIXNYJPTHICZAZ-INIZCTEOSA-N 259.349 3.820 30 20 CHED C[C@H](CNc1ccc(F)cc1C#N)N1CCc2ccccc21 462375201 KCNVKPCPABCBHH-CYBMUJFWSA-N 295.361 3.560 30 20 CHED C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 461910378 ZFCVAHLSZQUXHO-KEYYUXOJSA-N 284.403 3.699 30 20 CHED Cc1cnc([C@H](C)CNc2snc(Cl)c2C#N)s1 273189997 CMMQVMYLICCZHR-ZCFIWIBFSA-N 298.824 3.649 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@H](OC)C(CC)CC 467958219 JRXXIZDSBKORSA-HOCLYGCPSA-N 269.429 3.546 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H](c2ccccc2C)C1 466397278 STFRZBHMXRPEIV-JKSUJKDBSA-N 286.419 3.849 30 20 CHED COC(=O)c1cc(N[C@@H]2CCC[C@@H](C#N)C2)cc(C)c1C 463239720 AEKCOLBZVZZSAF-ZIAGYGMSSA-N 286.375 3.584 30 20 CHED C=C(CC)CN1CCO[C@H](c2cccc(Cl)c2)C1 467192972 YOFQATBVVHRVCR-HNNXBMFYSA-N 265.784 3.680 30 20 CHED CN(CC[C@H]1CCCCN1C)c1c(Cl)cccc1C#N 463077565 QNGSPAKMCCNMKW-CQSZACIVSA-N 291.826 3.522 30 20 CHED Cc1ccccc1O[C@H](C)CNc1cccc(F)c1C#N 463073349 YQIFRDAYRPSRRT-CYBMUJFWSA-N 284.334 3.885 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 280180421 PLMIRBGTUWVRFS-HNNXBMFYSA-N 298.430 3.996 30 20 CHED C=CC[C@@H](C)NC(=O)c1c(-c2ccccc2C)noc1C 280194385 QFZFMAQMVCUPPI-GFCCVEGCSA-N 284.359 3.653 30 20 CHED CCC(=O)c1ccc(Oc2ccc(C#N)cc2)c([N+](=O)[O-])c1 479868101 XNHQZCPMYKSEEZ-UHFFFAOYSA-N 296.282 3.851 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 475619520 AIEWRCWRRRPPAH-CYBMUJFWSA-N 262.422 3.878 30 20 CHED C/C(=C/c1ccccc1OC(F)F)CN(C)C[C@@H](C)C#N 555092558 IZLLGZDHRDVVKG-FSBNRTBOSA-N 294.345 3.783 30 20 CHED C#C[C@H](NC(=O)CC1CCCC1)c1ccc(Cl)cc1F 804416861 KJCCELSAOKMHHR-HNNXBMFYSA-N 293.769 3.850 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SC1CCC1 292550057 XCMVQZMQJZIHOX-UHFFFAOYSA-N 285.416 3.700 30 20 CHED CC(C)[C@H](C)N(C(=O)/C=C/c1ccccc1C#N)C1CC1 298269466 AAAWUNIWZGRJEN-ZHZWZMEUSA-N 282.387 3.607 30 20 CHED CC#CCCCC(=O)NCC(C)(C)c1ccc(C)cc1C 557718952 RMKADWKFKFPJKF-UHFFFAOYSA-N 285.431 3.891 30 20 CHED Cc1cc(F)ccc1C=NNc1nccnc1C1CCC1 807994300 POPQKNZVZBDKNM-UHFFFAOYSA-N 284.338 3.638 30 20 CHED C[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(F)F 297771785 HHYKJMZLUVPTOM-MRVPVSSYSA-N 298.358 3.728 30 20 CHED C=CCCC(=O)O[C@H](C)c1ccccc1SC 800024115 PBWDNYJBKGJPPF-LLVKDONJSA-N 250.363 3.979 30 20 CHED CC(C)CC(C)(C)C(=O)OCCCC1(C#N)CCOCC1 800180642 UKVPLJAURYWTBP-UHFFFAOYSA-N 295.423 3.702 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)OCC2(C#N)CC2)c1 802993154 ZLYZPRVVUNUQBI-AWEZNQCLSA-N 285.387 3.836 30 20 CHED C=CCCCCNC(=O)N[C@H](Cc1ccccc1)C1CC1 472777126 WXYQNKQHOZQCGH-QGZVFWFLSA-N 286.419 3.663 30 20 CHED CC(C)SCCON=Cc1ccccc1OC(F)F 800868384 XVEXVJMKEBWMIO-UHFFFAOYSA-N 289.347 3.780 30 20 CHED C=CCCCCNC(=O)CSc1cc(C)ccc1C 471666872 IINPVNAHFMNAMN-UHFFFAOYSA-N 277.433 3.868 30 20 CHED C=C(C)COC(=O)c1sc(-c2ccc(F)cc2)nc1C 805938370 ZOTUNGYQWYJTBG-UHFFFAOYSA-N 291.347 3.991 30 20 CHED Cc1cc(NC(=O)c2ncc(C#N)cc2C)ccc1C1CC1 565554544 RCKUFHJWTKJEHB-UHFFFAOYSA-N 291.354 3.700 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)C1(c2ccccc2)CC1 808524254 ZZPDTXBBAOJZMT-CQSZACIVSA-N 286.371 3.575 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1snc2ccccc12 640249710 IWPUMQQXCQACOB-LLVKDONJSA-N 287.388 3.869 30 20 CHED C=CCN(CCC#N)C(=O)CCc1ccc2ccccc2c1 292583897 YVJLASXTFOKGKT-UHFFFAOYSA-N 292.382 3.701 30 20 CHED N#Cc1ccc(=N[C@H]2CCCC[C@H]2Cc2ccccc2)[nH]c1 476497826 WWSKIAYEYJFMQD-ROUUACIJSA-N 291.398 3.589 30 20 CHED C#Cc1ccc(CN(C)[C@H]2CCc3ccccc32)cc1 809542666 JEAVRCADPXBSHP-IBGZPJMESA-N 261.368 3.787 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccn2)C1 640700518 LKKKPTLCAPWEHL-LLVKDONJSA-N 298.308 3.529 30 20 CHED N#Cc1ccc(CNC[C@H](c2ccccc2)C2CC2)cc1 567339183 GJGZJCCPKVJSRK-LJQANCHMSA-N 276.383 3.842 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 812004146 OFXCIWIJMFNQNC-GDBMZVCRSA-N 286.419 3.827 30 20 CHED C=CCCCCOC(=O)c1cc(C)n([C@H](C)CC)n1 811012709 URKIYLJMAOVQEG-GFCCVEGCSA-N 264.369 3.676 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccc(C(F)(F)F)cc1 488846305 SIFNPIUNCPTQOR-AWEZNQCLSA-N 297.320 3.815 30 20 CHED N#Cc1cccnc1/C=C\c1cc(F)c(F)c(F)c1 486075030 HYBMSAJAHXRLPM-ARJAWSKDSA-N 260.218 3.541 30 20 CHED C=CCN(C(=O)Nc1ccc(C(=O)C2CCC2)cc1)C1CC1 487017744 AHWZAYJNRAQRPT-UHFFFAOYSA-N 298.386 3.852 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)c1ccc(C#N)c(C)n1 488046478 UZAILUCAFLQLAN-INIZCTEOSA-N 295.386 3.858 30 20 CHED C=CC[C@@H](Cc1ccccc1)n1cc([C@@H](N)C(C)(C)C)nn1 656457826 RRACXTAQZJZHSN-DOTOQJQBSA-N 298.434 3.684 30 20 CHED CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NCC#N 578404253 OEASGOGEROFBEA-CYBMUJFWSA-N 284.325 3.776 30 20 CHED Fc1cccc(NN=Cc2nc3c(s2)CCCC3)c1 814814911 FIYUBTCNYVAYER-UHFFFAOYSA-N 275.352 3.607 30 20 CHED N#CC1(OC(=O)c2ccc(C3=CCCC3)cc2)CCC1 810624004 KOESBUCIFYJLMD-UHFFFAOYSA-N 267.328 3.857 30 20 CHED C=CC(C)(C)CNC(=O)N(C1CCCCC1)C1CC1 656172425 DQCYESWWZDVVNL-UHFFFAOYSA-N 264.413 3.705 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2ccccc2n1CC(F)(F)F 486188107 DIQJAABEBCUVFB-SNVBAGLBSA-N 296.292 3.508 30 20 CHED CCC(=NN=c1cc[nH]cc1Cl)c1ccc(F)cc1F 814869396 ZAWVFXYLAFZTDV-UHFFFAOYSA-N 295.720 3.661 30 20 CHED N#C[C@@H]1CCCC(=NNc2nc(C(F)(F)F)cs2)C1 814868214 XCRMFTJXTPHPCT-SSDOTTSWSA-N 288.298 3.644 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2ccc(C)cc21 655965757 DMMXEPDMCHGEOY-UHFFFAOYSA-N 272.392 3.669 30 20 CHED C/C=C/c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 570080856 OUGTZEZSBBTZFC-NSCUHMNNSA-N 278.311 3.549 30 20 CHED N#Cc1c(F)cccc1/C=C1/Cc2ccc(F)cc2C1=O 811691295 KXASCQLJPQQJKC-SDQBBNPISA-N 281.261 3.659 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)C(C)(F)F)n1 815970807 KJACDAYTDMBOBU-DTWKUNHWSA-N 286.347 3.734 30 20 CHED C=CCCCCCN1CCN(C(C)=O)C2(CCCCC2)C1 488155933 KUXVHORWBLOPAX-UHFFFAOYSA-N 292.467 3.600 30 20 CHED CO[C@H]1C[C@H](c2ccccc2)CCC1=NOC1CCC1 814936901 NRSCZRPYWKHCAG-PBHICJAKSA-N 273.376 3.894 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OC)c(Cl)c1 489432626 GNXLBCAORBUJKY-ZDUSSCGKSA-N 265.784 3.889 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 488887953 XOLITGVUCQNYSN-HZMVEIRTSA-N 293.451 3.927 30 20 CHED C#CCCCOC(=O)COc1ccccc1[C@@H](C)CC 727042317 ZWQPVJGLNKKYKS-AWEZNQCLSA-N 274.360 3.536 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2ccc(C)c(C)c2)c1 728481858 ZPBXPZNNAAVFDK-UHFFFAOYSA-N 291.394 3.880 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(Cl)ccc1C 488585621 WXGSVKZBSGDOHP-UHFFFAOYSA-N 274.751 3.888 30 20 CHED N#Cc1ccc(N2CC[C@@H](Cc3ccc(F)cc3)C2)c(F)c1 571053433 KWVLCLGORJEEMO-HNNXBMFYSA-N 298.336 3.905 30 20 CHED C=CCCC1(C(=O)N[C@@H](C#N)c2ccc(CC)cc2)CC1 579286949 HMGAGNLCYWMWRB-INIZCTEOSA-N 282.387 3.676 30 20 CHED CC(C)[C@H](C)CC(=O)Nc1ccc(C#N)cc1Cl 494643904 WDWPYNODVYNGHV-SNVBAGLBSA-N 264.756 3.832 30 20 CHED C=CCC1(NC(=O)Nc2cc(OC)ccc2F)CCCC1 666311770 KBPHBSCHXCWHNF-UHFFFAOYSA-N 292.354 3.845 30 20 CHED C=CCOCCNC1(c2cccc(Cl)c2)CCCC1 572225161 URNVTBUHVZWLDR-UHFFFAOYSA-N 279.811 3.902 30 20 CHED COc1ccc(/C=C2\Oc3c(Cl)cccc3C2=O)cc1 729151092 OBMMXQNWJDAUST-ZROIWOOFSA-N 286.714 3.965 30 20 CHED Nc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cn1 821027303 FVQFPLHWWTWVDS-ORCRQEGFSA-N 293.153 3.867 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(F)cc1F 491395688 KAZCSHOGZPSNBI-UHFFFAOYSA-N 277.314 3.789 30 20 CHED COCCCCNc1c(C#N)cnc2c(Cl)cccc12 580067319 GHQPWPWMPUKBHY-UHFFFAOYSA-N 289.766 3.598 30 20 CHED CCC1CCC(=NNc2cnc3ccccc3n2)CC1 727258511 NKEYDVPABDQMSS-UHFFFAOYSA-N 268.364 3.998 30 20 CHED Brc1ccc(CNN=Cc2ccsc2)cc1 726740037 PUBOWSDCCCVCSZ-UHFFFAOYSA-N 295.205 3.634 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cc2c(s1)CCCC2 903106588 RUBSOOGRJGDPNJ-LLVKDONJSA-N 260.406 3.581 30 20 CHED C=CCN(Cc1nccn1C(C)C)c1ccccc1 668041174 MNZNACCLHNPCHR-UHFFFAOYSA-N 255.365 3.657 30 20 CHED C=CCCN1CCC2(C=Cc3ccccc3O2)CC1 662217452 ZEMQMJLDCDSMNF-UHFFFAOYSA-N 255.361 3.503 30 20 CHED CC(=NO[C@H](C)c1nc(C(C)C)no1)c1ccc(F)cc1 902856275 HLRQBZMEKFNLHF-LLVKDONJSA-N 291.326 3.834 30 20 CHED CC(C)c1nocc1C(=O)OCCCCC1(C#N)CCC1 909460049 NGWGPJLNTXOEDR-UHFFFAOYSA-N 290.363 3.819 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(F)ccc1Cl 497943596 GQUSJFOZGYCAGJ-SNVBAGLBSA-N 269.747 3.954 30 20 CHED Cc1ccc(OCCSCc2cc(C#N)ccn2)cc1 901421206 SJIHABXULQHJGS-UHFFFAOYSA-N 284.384 3.574 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H](C)c1ccc(Cl)s1 839038660 YUTJFXNMIORKNQ-NXEZZACHSA-N 270.781 3.850 30 20 CHED Cc1nc2ccccc2cc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839058393 OQRXLJKTYZYYGD-ZFWWWQNUSA-N 294.354 3.782 30 20 CHED C=CCC[C@H](NC/C=C\c1cc(C)c(C)cc1C)C(=O)O 901690253 LSTMFCVZUKBYIF-QWPQOLDESA-N 287.403 3.634 30 20 CHED Fc1ccc(C=NOCc2ccc3c(c2)CCC3)cc1 734484018 QNRZKWHHUORXFN-UHFFFAOYSA-N 269.319 3.865 30 20 CHED OCCCCCNc1cccc(C#Cc2cccs2)c1 677804277 FPBLXXJTKWANRA-UHFFFAOYSA-N 285.412 3.722 30 20 CHED CC(C)(C)c1ncc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)s1 839047808 INQLORWLWLTGCJ-WDEREUQCSA-N 292.404 3.680 30 20 CHED C=CCCC1(c2nc(C(CC)(CC)OC)no2)CC1 582330804 MNPDPXGFQVYPHC-UHFFFAOYSA-N 264.369 3.729 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2C[C@@]23CCc2ccccc23)C1 839050571 BZEDMMLELGYZDK-ZSFPCNDZSA-N 295.382 3.516 30 20 CHED CCc1ccc(C=NNc2nc3ccccc3n2C)s1 731150620 BSFIQJIPTHMGQL-UHFFFAOYSA-N 284.388 3.643 30 20 CHED COc1ccc(C=NNc2cccc3c2CCCC3)cc1O 917553059 RIIYADRTJFKLJW-UHFFFAOYSA-N 296.370 3.726 30 20 CHED CC(C)CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CC1 593958987 OHSULHBBBJVADC-HNNXBMFYSA-N 298.430 3.774 30 20 CHED CN(C[C@H](O)CC(C)(C)C#N)C1CCC(C(C)(C)C)CC1 598587609 SQSNAJLACZXODE-UYSNPLJNSA-N 294.483 3.824 30 20 CHED Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1O 597420972 NNMRQSJKQKGZJP-UHFFFAOYSA-N 272.348 3.503 30 20 CHED CCCCCCCC(=O)N[C@H]1CC[C@H](SC)C1 742750064 NLRNGVHMKWGCJD-STQMWFEESA-N 257.443 3.747 30 20 CHED N#CCCCNCc1ccc(-c2cccs2)cc1 594941939 CWPHDFIZOBJDNN-UHFFFAOYSA-N 256.374 3.808 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 593700667 XVHYZFPYYBIHKK-FMKPAKJESA-N 270.376 3.536 30 20 CHED CSc1cc(F)ccc1NC(=O)CCCCCC#N 592721934 MFICNKYFJQHMJC-UHFFFAOYSA-N 280.368 3.960 30 20 CHED C[C@@H](NC(=O)NCCC(C)(C)C1CC1)c1cccc(C#N)c1 590808507 KGSOEDNVQKCARU-CYBMUJFWSA-N 299.418 3.745 30 20 CHED CCC(=NNc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 915958504 IEWJOXCVZNYXSK-UHFFFAOYSA-N 294.314 3.693 30 20 CHED O=C(O)Cc1ccc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 848415494 MSPJLUSFMWNXEK-BVUBDWEXSA-N 298.386 3.538 30 20 CHED CCC1CCC(N(C[C@@H](O)CC(C)(C)C#N)C2CC2)CC1 598585794 KXDCNLYGZHMPOT-DQPZFDDXSA-N 292.467 3.720 30 20 CHED CC#CCN[C@H](C)c1ccc(Oc2cccnc2)cc1 676755974 YJTZYNQFDINMHG-CQSZACIVSA-N 266.344 3.548 30 20 CHED CC[C@H](CSc1cc(C#N)ccn1)CC(F)F 594885229 CAVVQAQZEXBJGB-VIFPVBQESA-N 256.321 3.727 30 20 CHED CCOc1ccc(O)c(/C=N/CCOc2ccccc2C)c1 917557652 FGJDAEVYGMWUDS-CPNJWEJPSA-N 299.370 3.597 30 20 CHED N#CCCN(Cc1cc2cc(Cl)cnc2o1)CC1CC1 590638812 BLLIWVDPTIVKJY-UHFFFAOYSA-N 289.766 3.607 30 20 CHED C/C(=C\C(=O)Nc1cc(C)c(N(C)C)cc1C#N)C(C)(C)C 841240609 XTGFJNFRXSQJLW-UKTHLTGXSA-N 299.418 3.864 30 20 CHED N#Cc1ccc(N(C(=O)Cc2ccsc2)C2CCC2)cc1 598886822 NUCJQVVPEOLLGV-UHFFFAOYSA-N 296.395 3.748 30 20 CHED CCN(Cc1coc(-c2ccc(Cl)cc2)n1)[C@H](C)C#N 595812349 JIYVCRUGJXVACW-LLVKDONJSA-N 289.766 3.729 30 20 CHED CCO[C@H](CC)c1noc(/C=C\c2ccccc2C#N)n1 596616053 RMOABIAGEFRSEB-CFYYFVFUSA-N 283.331 3.599 30 20 CHED COc1cccc(/C=N/[C@@H]2C[C@]2(C)c2ccccc2)c1O 741465341 UOQLYNJBFLMMPW-MFYXZRBDSA-N 281.355 3.550 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)C[C@@H]1CCOC1 749566079 WDUAGMWNNZWJFJ-CVEARBPZSA-N 298.471 3.661 30 20 CHED COc1cccc(-n2ccnc2SCC2(CC#N)CC2)c1 594880578 MDBURTUGVHPHAX-UHFFFAOYSA-N 299.399 3.667 30 20 CHED C#C[C@@H](OC(=O)[C@@H](c1cccnc1)C(C)C)c1ccccc1 842391161 JPHZFMSVYSWVQQ-QZTJIDSGSA-N 293.366 3.739 30 20 CHED CC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@H](C#N)C1 595061113 PDVYPZTYWGKQBJ-USXIJHARSA-N 274.383 3.819 30 20 CHED C=C[C@@H](C)ONC(=O)c1ccc(Cl)c(C(F)(F)F)c1 846547831 NAVRZUFHRUWICW-SSDOTTSWSA-N 293.672 3.595 30 20 CHED CC#CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 744719695 UPMYEVCEZVUFCL-UHFFFAOYSA-N 282.126 3.655 30 20 CHED COc1ccc(C=NNc2ccccc2Cl)c(OC)c1 916262949 YLSYBMKAOAJEKG-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)c1nccs1 746090171 RZSBETWKZUCPCI-UHFFFAOYSA-N 271.389 3.677 30 20 CHED C=CC[C@H]1N(Cc2oc(C)nc2C)CCCC1(C)C 685578092 ONUNAVMXHDQWOH-OAHLLOKOSA-N 262.397 3.858 30 20 CHED COCCN(Cc1ccc(C#N)cc1C)c1ccccc1 590761369 BIBVRRNEZIOJEA-UHFFFAOYSA-N 280.371 3.520 30 20 CHED CC(=NNc1cncc(Cl)n1)[C@@H]1C[C@H]1c1cccs1 841618591 FQFPDKWVYWRKQQ-VHSXEESVSA-N 292.795 3.783 30 20 CHED CC[C@H](OCCN(CCC#N)CC1CC1)c1ccccc1 593016854 XESAUVGZIVNVTR-SFHVURJKSA-N 286.419 3.780 30 20 CHED C=CCC1(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)CCC1 683064376 KSMZUYFYACJTMU-VXGBXAGGSA-N 289.341 3.922 30 20 CHED CCCCC1CCC(NC[C@H](O)CC(C)(C)C#N)CC1 598701249 SYTVEELOTPFQLP-UYSNPLJNSA-N 280.456 3.626 30 20 CHED C=C(Br)COC(=O)[C@H](c1ccccc1)C(C)C 745546835 DQHAKUBYUUZMSY-ZDUSSCGKSA-N 297.192 3.878 30 20 CHED CC(C)(C)c1nnc(SCC2(C#N)CCCC2)o1 916716957 OPUUSLLFLLJORF-UHFFFAOYSA-N 265.382 3.543 30 20 CHED CC[C@@H](COC(=O)/C=C\c1ccccc1C#N)CC(F)F 845761008 JFZYHTXHOGRESZ-QDZRJHCZSA-N 293.313 3.796 30 20 CHED C[C@@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 748677062 HQMXWTYILSEQOV-XTBFLFJDSA-N 269.344 3.599 30 20 CHED Cc1cccc([C@H](C)NC(=O)C#Cc2ccccc2)c1C 747397289 JTRXKQMLVLTVCA-INIZCTEOSA-N 277.367 3.532 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](Cc1ccccc1)C1CC1 925452527 WOJIGXCXDGXGSJ-RHSMWYFYSA-N 270.420 3.926 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1nc(C2CC2)cs1)C1CC1 842940486 BDPYGPLICUPSAG-OJIASSBASA-N 272.373 3.553 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1Cl 741463874 JASBDTGMVULLSB-KRXBUXKQSA-N 288.730 3.950 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1ccc(C#N)s1 749340161 JEMYCRWVCGOEHN-LLVKDONJSA-N 264.394 3.708 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1cccc(C)c1C 741766249 QBHGSDSTUNGFNN-UHFFFAOYSA-N 288.782 3.891 30 20 CHED N#CC1(CCOC(=O)COC2CCCCC2)CCCCC1 840211896 ARSQCWNZXJARBR-UHFFFAOYSA-N 293.407 3.743 30 20 CHED C[C@@H](NCc1cc(Cl)ccc1O)c1cccc(C#N)c1 743497717 ZKGSYEAHPHNKDG-LLVKDONJSA-N 286.762 3.768 30 20 CHED Cc1cccc(C)c1C=NNc1nc(-c2ccccc2)no1 755682648 IOVRVAWGVDJQJW-UHFFFAOYSA-N 292.342 3.799 30 20 CHED COc1ccc2c(c1)CCCC2=NNc1cc(C)ccn1 755906100 KPTCDAIPMZOCRR-UHFFFAOYSA-N 281.359 3.551 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F 757005014 WDXHHGASKSAQBT-NSHDSACASA-N 287.309 3.936 30 20 CHED C[C@H](NCCCC#N)c1ccc(Cl)c(Cl)c1O 757653396 HEGNNZAYNKYIOM-QMMMGPOBSA-N 273.163 3.653 30 20 CHED C=CCN(CCc1ccco1)c1ncc(Cl)s1 680896707 LEGDWVMFWBOTMN-UHFFFAOYSA-N 268.769 3.625 30 20 CHED C#C[C@H](OC(=O)CC[C@H]1CC1(Cl)Cl)c1ccccc1 851036987 PFVIZSHRBQNOAG-STQMWFEESA-N 297.181 3.878 30 20 CHED CC(CC1CC1)=NNc1cccc(C(F)(F)F)n1 756829403 OYSCDNQZNGUHCZ-UHFFFAOYSA-N 257.259 3.688 30 20 CHED Cc1ccc([C@@H](NCC2(CC#N)CC2)c2cccnc2)cc1 926344638 LSCQINLRTOVFLL-GOSISDBHSA-N 291.398 3.763 30 20 CHED C(=NOC1CCCCC1)c1cc2ccncc2s1 853334745 AWULFARLPMRXTG-UHFFFAOYSA-N 260.362 3.980 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)C=C2CCC2)c1 755286169 GLXUJMRENQBOPT-UHFFFAOYSA-N 291.350 3.904 30 20 CHED Cc1noc(C)c1[C@H](C)NCc1ccc(C#N)c(Cl)c1 926369713 IFODOXANONGNFI-VIFPVBQESA-N 289.766 3.667 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C#N)o1 928385382 OQXPESZEAVRSNL-XJKSGUPXSA-N 294.354 3.560 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1c1c(C)cccc1C 852154704 VCGXPDSBRKNXOG-INIZCTEOSA-N 284.403 3.563 30 20 CHED CCN(CC)c1ccc(CN2CCC[C@](C)(C#N)C2)cc1 753588097 SSSPYQKATCKJLJ-GOSISDBHSA-N 285.435 3.658 30 20 CHED O=[N+]([O-])c1ccccc1NN=C[C@H]1C[C@@H]1c1ccccc1 755466276 YGBGGPQIPMUAQK-ZIAGYGMSSA-N 281.315 3.796 30 20 CHED C=CC[C@H](NC(=O)C[C@H](C)c1ccco1)c1ccncc1 859404136 IIENIONHQDGAFP-ZFWWWQNUSA-N 284.359 3.602 30 20 CHED Cc1ccc(CN(CCO[C@H](C)C#N)C(C)(C)C)cc1 859437599 BBDFTTYSZPLAOX-OAHLLOKOSA-N 274.408 3.524 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1nc(Cl)cs1)C2 759085190 SLIFUEYFDFGPPD-POHAHGRESA-N 275.760 3.927 30 20 CHED C[C@@H]1CCC(=NNc2ccccn2)c2ccccc21 752723582 XJJGZVARWHQXCI-GFCCVEGCSA-N 251.333 3.795 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](c2ccccc2F)C1 932221772 YQDMMPWVQCEANC-UONOGXRCSA-N 275.367 3.744 30 20 CHED COc1ccc(C(=O)/C=C/c2sccc2C)c(O)c1 757473291 VDTMWPWWDQAFIW-AATRIKPKSA-N 274.341 3.667 30 20 CHED C=C(C)CCOC(=O)[C@H](c1ccccc1)N(CC)CC 755707889 MILUIDFJGKNYMH-INIZCTEOSA-N 275.392 3.579 30 20 CHED C=CCCC(=O)COC(=O)c1cccc(-c2ccoc2)c1 761427772 MRYGXYSTQXPRDM-UHFFFAOYSA-N 284.311 3.639 30 20 CHED C[C@H](CCC1CC1)Nc1ccc(F)cc1OCC#N 769548171 SIBYABHYDFMIPQ-LLVKDONJSA-N 262.328 3.719 30 20 CHED Cc1cccc(C)c1/C=C1/CCc2scnc2C1=O 863196327 FTTFLJPUOOBAKB-WQLSENKSSA-N 269.369 3.972 30 20 CHED O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccco1 769771586 QUKPTJDWKNLJEH-SREVYHEPSA-N 282.324 3.694 30 20 CHED N#CC1(CCCCN2CCC[C@H](OC3CCC3)C2)CCC1 930886540 VBQXDDVKYVLWLK-KRWDZBQOSA-N 290.451 3.884 30 20 CHED CC(C)[C@H]1CCCCC1=NNc1ncccc1[N+](=O)[O-] 764695945 FKQDMDFAIMPUAN-LLVKDONJSA-N 276.340 3.604 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C\c2ccnn2C)cc1 863197181 KOIREYLQYZFWIT-XPSMFNQNSA-N 268.360 3.830 30 20 CHED CON=Cc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 869211077 APRXYVKZOLLTSM-UHFFFAOYSA-N 282.343 3.536 30 20 CHED C[C@@H](C(=O)OCC1(C#N)CCC1)c1cccc(Cl)c1 768099348 QWPRXGYKPMTBMR-LLVKDONJSA-N 277.751 3.681 30 20 CHED CC#CCCCC(=O)OCc1c(F)cccc1Cl 767668130 UMCNFVSCZXPHOH-UHFFFAOYSA-N 268.715 3.716 30 20 CHED COc1ccsc1C(=O)OCCCCC(C)(C)C#N 768700369 VYMFASOWTQSNQZ-UHFFFAOYSA-N 281.377 3.634 30 20 CHED C=C(Br)CSc1ccc([N+](=O)[O-])cc1F 768431597 BCKPBTPHUQXETD-UHFFFAOYSA-N 292.129 3.735 30 20 CHED CS[C@@H](C)CC(=O)OCc1ccccc1C(C)(C)C#N 766923508 ZDMRACGCNWXUMF-LBPRGKRZSA-N 291.416 3.673 30 20 CHED N#Cc1ccc2[nH]cc(C=NNc3ncccc3Cl)c2c1 760254824 WBWVDFLHWPODJM-UHFFFAOYSA-N 295.733 3.534 30 20 CHED C[C@@H](/N=C\c1ccccc1O)c1cccc(F)c1F 766672643 QVHPHJPLTQZJNP-PQQLAPNWSA-N 261.271 3.851 30 20 CHED Cc1cc(NCC2CCC(C#N)CC2)nc(C2CCC2)n1 1119954051 HGKQOUWQLWWAAK-UHFFFAOYSA-N 284.407 3.794 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)C1CCC=CCC1 873520759 MIRRJOQUHWDTAN-INIZCTEOSA-N 266.381 3.505 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1C[C@]12CCOC2 763428428 YCYGBOAWRGPDQU-WBVHZDCISA-N 281.440 3.622 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2sccc2O)c1 773143297 QGRVOJOQMFIPFM-HWKANZROSA-N 262.305 3.797 30 20 CHED C#C[C@@H](C)NC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 772967269 VBSKJMVZXDFPSM-CYBMUJFWSA-N 281.355 3.822 30 20 CHED C=CC(C)(C)CC(=O)N1CCCc2ccccc2C1 878764975 ILXMZVAVQXVHBH-UHFFFAOYSA-N 257.377 3.564 30 20 CHED C[C@@H](C#N)CN(C)Cc1ncc(-c2cccc(Cl)c2)o1 66469956 IWNVUMONJNRRSF-NSHDSACASA-N 289.766 3.586 30 20 CHED C#CCSCCN[C@@H](C)c1cc(C)ccc1OC(F)F 773009578 CCCLZVUMUYHYGK-LBPRGKRZSA-N 299.386 3.613 30 20 CHED C#CCCCCCC(=O)NCCCCc1ccccc1 779760291 PRQKXSXYDFHGDS-UHFFFAOYSA-N 271.404 3.709 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@H](C)[C@@H]1C 773077144 CWPQWDXBIUGYCK-RYUDHWBXSA-N 260.385 3.824 30 20 CHED CC(C)(CNC(=O)Cc1ccccc1CC#N)C1CCCC1 776984313 RNMVORPSUYETIK-UHFFFAOYSA-N 298.430 3.628 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2)CC1 1124340756 KRHQUZHLKYBHMB-SHTZXODSSA-N 270.376 3.959 30 20 CHED Cc1ccc(NCCC2CC(OC(C)(C)C)C2)c(C#N)n1 882264444 KRXAKOLYMPBSLI-UHFFFAOYSA-N 287.407 3.657 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc2nsnc12 778995484 AHSRKNBLMQYPFF-UHFFFAOYSA-N 299.399 3.515 30 20 CHED CC1(C)COc2c(C(=O)O[C@H]3CCC[C@@H](C#N)C3)cccc21 1129725608 YNRWCLURVJARDW-OLZOCXBDSA-N 299.370 3.596 30 20 CHED CCC(=NN[C@H](CO)c1ccccc1)C1CCCCC1 788457890 QEJQXWHPYASCQY-QGZVFWFLSA-N 274.408 3.656 30 20 CHED C=C1CCC(C(=O)N2Cc3ccccc3[C@H](C)C2)CC1 887719199 GUUMBYUZIPXIBJ-CQSZACIVSA-N 269.388 3.879 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H](C)[C@H](C)CC)cc1C#N 783661833 WUOQBUOMQNUYOC-NEPJUHHUSA-N 289.379 3.973 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1coc(-c2ccccc2)n1 785758785 CRRUUZOOHLSZPR-QGZVFWFLSA-N 285.343 3.987 30 20 CHED C=C1CCC(C(=O)N(CC)c2ccc(C#N)cc2)CC1 889252301 OXJGIHZDMXMQFK-UHFFFAOYSA-N 268.360 3.658 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1c(C)oc2ccc(OC)cc12 785862289 YYGADDRCEBPGJZ-ZDUSSCGKSA-N 299.370 3.931 30 20 CHED CC(CCCC(C)C)=NN[C@H](CO)c1ccccc1 788458647 ZWVQHZACNBROCA-MRXNPFEDSA-N 262.397 3.512 30 20 CHED CCC[C@H](CCc1ccccc1)NCc1ccc(C#N)cn1 783294725 UTTJHXPNFZNKIL-GOSISDBHSA-N 293.414 3.844 30 20 CHED C[C@@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 1127021788 BYZUSAABZNCCBM-OSRSDYAFSA-N 283.371 3.989 30 20 CHED C[C@@H]1CCC(=NNc2cc(Cl)ccn2)[C@H](C)C1 783862566 NDDPKGYFWJKKIZ-NXEZZACHSA-N 251.761 3.959 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@H]1CCCC[C@@H]1C 1128965217 IGYSICJIIKGVNT-SWLSCSKDSA-N 298.386 3.916 30 20 CHED C/C=C(/CC)C(=O)Nc1cccc(C#Cc2ccccn2)c1 789614658 UVDYUGOOMXLHMF-XFQLMFQHSA-N 290.366 3.776 30 20 CHED CC[C@H]1CCC[C@@H](C=NNCc2ccc(C#N)cc2)C1 783856844 LFOUJPBJTJGYSQ-WMLDXEAASA-N 269.392 3.850 30 20 CHED CC(C)(Oc1ccccc1)C(=O)O[C@@H](CC#N)c1ccco1 1123371068 YOYFEBHKHDJEGY-HNNXBMFYSA-N 299.326 3.635 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 1123233053 FHTUIRGDAUTYSG-BZUAXINKSA-N 299.418 3.686 30 20 CHED C#CCCCCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 780380812 HCMHKHANJSPPID-AWEZNQCLSA-N 293.370 3.631 30 20 CHED CCn1cc(Cl)cc1C(=O)Nc1cc(C#N)ccc1C 701200078 PCOFSCJPJACOLP-UHFFFAOYSA-N 287.750 3.594 30 20 CHED C=CCOc1ccc(OC(=O)c2ccnc(C3CC3)c2)cc1 783393323 PEWUUGGEDZOTNA-UHFFFAOYSA-N 295.338 3.743 30 20 CHED C=C1CC(c2noc(COc3ccc(F)cc3Cl)n2)C1 896890743 VXQALAQGBBMVFU-UHFFFAOYSA-N 294.713 3.875 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc3c(c2)CCCO3)cn1 899350785 PZAIAMGMVMACPS-FNORWQNLSA-N 296.370 3.685 30 20 CHED C#CCCCNCc1ccc(-c2ccccc2)cc1OC 781414393 JIJOXXGEXCXPIV-UHFFFAOYSA-N 279.383 3.865 30 20 CHED C=CCC(C)(C)C(=O)OCC#Cc1cccc(Cl)c1 796455625 QMMVUADEGNOXHZ-UHFFFAOYSA-N 276.763 3.837 30 20 CHED C/C(=C/Cl)CSCCOc1cccc(C#N)c1 797812294 UGBKSKHJJXQAPF-FLIBITNWSA-N 267.781 3.813 30 20 CHED C=CC[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccncc1 799938268 TZOZCBFPNDZALI-UONOGXRCSA-N 294.345 3.641 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCOc1cccc(F)c1 898443685 BFWWPXSOLSKHFW-CYBMUJFWSA-N 278.371 3.513 30 20 CHED C=CCCC(=O)Nc1cc(Br)c(F)cc1C 191185743 UWBBMFLFSVDHOL-UHFFFAOYSA-N 286.144 3.801 30 20 CHED Clc1cc(Cl)c2c(C=NNC3CC3)c[nH]c2c1 790174970 AGZIBFVFDBHDFF-UHFFFAOYSA-N 268.147 3.561 30 20 CHED C[C@@H](OC(=O)c1ccc(F)c(C#N)c1)c1ccccc1F 790921898 QAWLNADHHYYPTK-SNVBAGLBSA-N 287.265 3.754 30 20 CHED Cc1ccc(NC(=O)Nc2cc(C#N)ccc2F)cc1 1202429571 BQQUWYSSHVSGGI-UHFFFAOYSA-N 269.279 3.650 30 20 CHED C=CCN(C(=O)c1ccccc1CSCC)C(C)C 790791175 DUKPXPJJMSBWKY-UHFFFAOYSA-N 277.433 3.976 30 20 CHED COC(=O)c1c(F)cccc1NN=C1CCC[C@H]1CCF 794937024 FWHOUKVAJMQIJI-JTQLQIEISA-N 296.317 3.540 30 20 CHED C[C@H]1CCC(=NNc2cccc(F)n2)c2ccccc21 795007903 QNQOYXYLVMUHQJ-NSHDSACASA-N 269.323 3.934 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](c2ccccn2)C1 799192877 ILPWHXOSVMWGOD-YOEHRIQHSA-N 277.371 3.504 30 20 CHED C=CCC1(C(=O)N2CCCc3cc(OC)ccc32)CCC1 790253368 SSRXONIFFKQRNC-UHFFFAOYSA-N 285.387 3.721 30 20 CHED Fc1cccc(NN=Cc2ccc(Cl)c(Cl)c2)n1 795009989 RVHQJWPSRINGDW-UHFFFAOYSA-N 284.121 3.974 30 20 CHED N#Cc1ccccc1NC(=O)C1CCCCCCC1 86579630 ZORXDLWXYFDCBZ-UHFFFAOYSA-N 256.349 3.857 30 20 CHED CC(C)SCCSCCOc1cccc(C#N)c1 795364997 DNHVSIMUJGNMTR-UHFFFAOYSA-N 281.446 3.812 30 20 CHED Cc1cc2ccc(C(=O)Nc3cccc(CC#N)c3)cn2c1 1158294977 GZZJEVFMHDXAIF-UHFFFAOYSA-N 289.338 3.566 30 20 CHED CCc1cc2c(N[C@@H](CC)CC#N)nc(C)nc2s1 1163001277 WVMVFRCWWNFVHO-JTQLQIEISA-N 274.393 3.666 30 20 CHED Cc1cc(C(=O)OCCC(C)(C)C#N)c(C)n1CC1CC1 1319845211 XQWKNOVMDQOLJY-UHFFFAOYSA-N 288.391 3.612 30 20 CHED CCN(CC)CCN(Cc1ccccc1)CC1(CC#N)CC1 1615791485 GCDWGPWYRCXSDV-UHFFFAOYSA-N 299.462 3.524 30 20 CHED Cn1cc(-c2ccc(CNc3ccc(C#N)cc3)cc2)cn1 1326879762 OJYWEYPZWKGQGS-UHFFFAOYSA-N 288.354 3.571 30 20 CHED N#Cc1cc(C(=O)N[C@H]2CCCCC23CCCC3)cs1 1326528730 LMUOSSHHSOCLKT-AWEZNQCLSA-N 288.416 3.853 30 20 CHED CCc1ccc(C(=O)N(C)c2ccccc2C#N)cc1CC 1323439221 WQLQCGJQBLDRRG-UHFFFAOYSA-N 292.382 3.960 30 20 CHED CC[C@H](c1ccncc1)N(CC)C(=O)c1csc(C#N)c1 1324472255 XLTLULGUANRHEP-OAHLLOKOSA-N 299.399 3.628 30 20 CHED CCC1(CNc2c(C#N)cccc2C#N)CCCC1 1185793317 LSWYEHIYAJOCMF-UHFFFAOYSA-N 253.349 3.812 30 20 CHED COc1cc(/C=C2/Oc3cc(F)ccc3C2=O)ccc1F 1339251266 PEZMHSRCRMEYKS-VIZOYTHASA-N 288.249 3.590 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(CN3CCCCC3)cc2)C1 1333735426 ZYBPETRUNQJIBZ-AEFFLSMTSA-N 283.419 3.777 30 20 CHED CC(=NNc1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1C 1330910203 JVNNGIKHGBYQOK-BXUZGUMPSA-N 256.353 3.567 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C[C@@H](C)C1CCCCC1 1346097110 XZIDUELBZCTFKC-UKRRQHHQSA-N 287.407 3.686 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cncc(Cl)c1 1347771602 LEMSWAPKYFMPHM-ZDUSSCGKSA-N 279.771 3.698 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)c1ccc(Cl)s1 1340891981 LFFIWLMCUOHHGC-UWVGGRQHSA-N 284.812 3.656 30 20 CHED C#Cc1ccc(COC(=O)/C=C\SCc2ccco2)cc1 1348165833 HPZSFZAXIQONFU-LUAWRHEFSA-N 298.363 3.751 30 20 CHED Cc1c(C#N)cccc1C(=O)Oc1ccccc1Cl 1357703121 IUCQYOKDIQUHQN-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C=C(CC)C(=O)Nc1cnn(-c2cccc(C)c2)c1CC 1528278494 NQDNVHLATYNBHD-UHFFFAOYSA-N 283.375 3.648 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)c1ccccc1C 1459742539 NITLTQSIACCTEI-UHFFFAOYSA-N 280.371 3.902 30 20 CHED COc1c(C)cc(C(=O)Nc2cc(C)cc(C#N)c2)cc1C 1535892882 HKXHIJFGFUHYBF-UHFFFAOYSA-N 294.354 3.744 30 20 CHED Cc1ccccc1N(C(=O)c1ccc(C#N)s1)C(C)C 1530329554 YZUBBSCTRZEXJR-UHFFFAOYSA-N 284.384 3.983 30 20 CHED CSc1ccc(C)c(C(=O)Nc2cc(C)c(C#N)cn2)c1 1461219056 ZBLZDHOAAUIZFN-UHFFFAOYSA-N 297.383 3.544 30 20 CHED N#Cc1cc(Sc2ncc(-c3ccc(F)cc3)o2)ccn1 1472648299 FLGWLEMMSSNFTI-UHFFFAOYSA-N 297.314 3.899 30 20 CHED Cc1cc(C(=O)Nc2cc(F)cc(C#N)c2)cc(C)c1F 1544396732 FSTGLUFWJIATCG-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C[C@@H](NCc1csc(Cl)n1)c1cccc(C#N)c1 1620572696 NCMWQWNVVCBZAM-SECBINFHSA-N 277.780 3.519 30 20 CHED C=C(Cl)CNCc1c(F)ccc(Br)c1F 230310581 NLDCHDBCAFZELV-UHFFFAOYSA-N 296.542 3.569 30 20 CHED C=C(CNC(=O)NC[C@@H]1CCC[C@H]1C1CC1)c1ccccc1 1564882078 KGNZFXCGXIYYGT-ROUUACIJSA-N 298.430 3.825 30 20 CHED CC[C@H]1CCC[C@@H](CNc2n[nH]c(C3CC3)c2C#N)C1 1560499180 QRNKAXMVBMTALB-NWDGAFQWSA-N 272.396 3.787 30 20 CHED N#Cc1ccnc(S[C@@H](C(=O)C2CC2)c2ccccc2)c1 1640854137 FXFFTIWNPBVAHA-QGZVFWFLSA-N 294.379 3.766 30 20 CHED Cc1cc(NCC2CCC(C)(C)CC2)ncc1C#N 1650941078 XZPBXWZOCPHEDS-UHFFFAOYSA-N 257.381 3.890 30 20 CHED COC(=O)[C@@H]1CCCC[C@@H]1CSc1cccc(C#N)c1 1651840586 VOFOSCOGFWZTHR-UKRRQHHQSA-N 289.400 3.630 30 20 CHED C=CCCC[C@@H](NCC1(CC(=O)O)CC1)c1ccccc1 1588797649 IIHVKNIMWYTEEI-MRXNPFEDSA-N 287.403 3.929 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(C(=O)O)c(F)c2)c1 1776026169 BEVZZIDXTDSCLT-UHFFFAOYSA-N 286.306 3.587 30 20 CHED CC(C)[C@@H]1CCCCCC1=NNc1ccc(C(=O)O)nc1 1776071858 WTIRDBOUSBEALY-ZDUSSCGKSA-N 289.379 3.784 30 20 CHED Cc1ccsc1/C=C/C(=O)c1cccc(C(=O)O)c1 1777477405 NJRJYVJORNOJED-AATRIKPKSA-N 272.325 3.651 30 20 CHED N#Cc1ccccc1COC(=O)C1(c2ccccc2)CCC1 16377117 SSTOPQQCZSUATQ-UHFFFAOYSA-N 291.350 3.723 30 20 CHED N#Cc1ccccc1OCc1ncc(-c2ccc(F)cc2)o1 17529270 INOYNMWECUJFDB-UHFFFAOYSA-N 294.285 3.931 30 20 CHED N#CCC[C@@H](NC(=O)NCc1ccccc1)c1ccccc1 158973898 OSMNBNKSXXLMSP-QGZVFWFLSA-N 293.370 3.531 30 20 CHED CCCC(=O)Nc1cccc(NCc2ccc(C#N)o2)c1C 157537468 FVXXTZAZRQKSJI-UHFFFAOYSA-N 297.358 3.810 30 20 CHED N#Cc1ccc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)nc1 157955287 VDBFQQCPPFGJEC-WMLDXEAASA-N 293.370 3.533 30 20 CHED C#CCCCCNC(=O)N(C)[C@H](C)c1cccc(Cl)c1 154925746 WEUZOLKEJDTBTD-CYBMUJFWSA-N 292.810 3.846 30 20 CHED COc1cc(C(=O)/C=C\c2cc(C)cc(C)c2)ccc1O 207712406 CJJLDLKBWVUXFV-XQRVVYSFSA-N 282.339 3.914 30 20 CHED COc1cccc2c1CC[C@H]2N[C@@H](C)CC(C)(C)C#N 925272196 SHXIKMGTMYNHSX-SWLSCSKDSA-N 272.392 3.600 30 20 CHED N#CCOc1ccc(NC2CCC(C(F)F)CC2)cc1 1116924081 BSCOSRSTUYDUPV-UHFFFAOYSA-N 280.318 3.825 30 20 CHED C=C(CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 148019435 PMTLVERZPAOYOX-OAHLLOKOSA-N 262.356 3.922 30 20 CHED Cc1nc(N[C@H]2CCO[C@H](C(C)C)C2)c(Cl)cc1C#N 292782950 XMAHKTJZGYTONU-JSGCOSHPSA-N 293.798 3.531 30 20 CHED CCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)(C)C 59269347 QTRHWCOBFLKPRX-CQSZACIVSA-N 285.428 3.743 30 20 CHED CC(C)CC[C@@H](C)Nc1ncc(C#N)cc1Cl 513625867 UBBOHYSGEKMWRS-SNVBAGLBSA-N 251.761 3.843 30 20 CHED N#Cc1ccsc1NC(=O)C1C2CC3CC(C2)CC1C3 408037354 CFRORFHFFVTFAR-UHFFFAOYSA-N 286.400 3.631 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 424861292 DMICFGZKNCTFIN-WFASDCNBSA-N 256.349 3.517 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cnccc1C(F)(F)F 700781361 SMRKIKGBPVWRHB-JTQLQIEISA-N 285.313 3.518 30 20 CHED C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCC(C)(C)C#N 540715245 OKICHNQTMNEUMR-IAGOWNOFSA-N 299.462 3.521 30 20 CHED CC1(C)CCC[C@H](C(=O)N2CCC(CCC#N)CC2)C1 335502286 YIPDMMWOQSGRGY-HNNXBMFYSA-N 276.424 3.745 30 20 CHED Cc1nc(CNc2ccc(Cl)c(C#N)c2)c(C)s1 443453296 LJTZSJOSOWBOES-UHFFFAOYSA-N 277.780 3.897 30 20 CHED C=C[C@H](C)N[C@H](C)c1cccc(OC(F)(F)F)c1 675934220 LKZSLKOUECYRGG-VHSXEESVSA-N 259.271 3.810 30 20 CHED C#CCN(C(=O)[C@H](CC)CC(F)(F)F)C1CCCCC1 491662329 QLMZGLGSIOKUIS-GFCCVEGCSA-N 289.341 3.760 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](O)CC(C)(C)C1 395326200 PDNGBGDFPIIEEO-HNNXBMFYSA-N 283.456 3.747 30 20 CHED C[C@@H]1Cc2ccccc2N1c1ccc([N+](=O)[O-])cc1C#N 104909773 QKUPFANHUCTVST-LLVKDONJSA-N 279.299 3.549 30 20 CHED CCC1(CC)CCCN(c2cc(C#N)ccn2)CC1 343214787 KVEZMYHJJGDDTH-UHFFFAOYSA-N 257.381 3.750 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)CCC[C@@H]1C 178535240 CQYRGZOGSPBMKY-STQMWFEESA-N 285.391 3.909 30 20 CHED CCN(CCC#N)C(=O)CCc1ccc(-c2ccccc2)o1 103207793 HGNXDJAGAONEIW-UHFFFAOYSA-N 296.370 3.641 30 20 CHED FC(F)(F)c1ccc(C#CCNC(C2CC2)C2CC2)cc1 177000771 PVDYASPUZFAFIH-UHFFFAOYSA-N 293.332 3.835 30 20 CHED CCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 106727286 WFWYNXCCYAGYIE-UHFFFAOYSA-N 298.317 3.629 30 20 CHED COC(=O)c1ccc(/C=C2\C[C@@H](C)c3ccccc3C2=O)o1 178902220 DLCBTOWRPIEFCE-KPMWUXBGSA-N 296.322 3.840 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1c1ccccc1C 54972505 CFNMRKDBKFVKGV-HNNXBMFYSA-N 274.433 3.583 30 20 CHED C#CCCCCC(=O)NCc1ccc2ccccc2c1 119563447 ICHAMOPVFXPVLS-UHFFFAOYSA-N 265.356 3.650 30 20 CHED CCCCCCCCCN[C@@H](C)c1cnn(C)c1 311027834 WOMJVYRSDDPAJE-AWEZNQCLSA-N 251.418 3.821 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)CCC#N 107229617 FGXGDZFOKNPGOX-JTQLQIEISA-N 299.201 3.544 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)Cc1ccc(C#N)cc1)C1CC1 171575489 NFMIXHLOVZNIPT-KBPBESRZSA-N 284.403 3.526 30 20 CHED C=CCc1ccccc1OCc1noc(C(C)C)n1 67097442 UPWCEFPAADVBLF-UHFFFAOYSA-N 258.321 3.501 30 20 CHED N#Cc1cc(F)c(N2CCCc3ccccc3C2)c(F)c1 113310794 PJOXSQWNECGKMK-UHFFFAOYSA-N 284.309 3.789 30 20 CHED COc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1 114992281 PXVFBVYLCKTISW-MDWZMJQESA-N 268.287 3.657 30 20 CHED C[C@H](c1cccs1)N(C)c1ccc(C#N)cc1[N+](=O)[O-] 301107665 UVDWTGFHVITJTB-SNVBAGLBSA-N 287.344 3.725 30 20 CHED C=CCN(C(=O)C(=O)c1ccc(Cl)cc1)c1ccccc1 171266457 RSGMAZHQWASAPI-UHFFFAOYSA-N 299.757 3.742 30 20 CHED CC[C@@H]1CN(c2c(Cl)cccc2C#N)CCS1 301457802 SOEFVZUPGMCLTL-LLVKDONJSA-N 266.797 3.543 30 20 CHED CC(C)Oc1ccccc1CNCc1cc(C#N)cs1 177688803 VQJVJMKNPUZLIA-UHFFFAOYSA-N 286.400 3.697 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1C[C@@H]2CCC[C@H]2C1 301607132 NOYGDZUXGKVHCA-RYUDHWBXSA-N 297.789 3.996 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](OC1CCCC1)c1ccccc1 116859046 JHBLXTOWRKXYNE-RHSMWYFYSA-N 287.403 3.768 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1cccc(C#N)n1 301865569 VBSAHABMFYHSGU-AWEZNQCLSA-N 281.359 3.980 30 20 CHED C=CCCCC(=O)Nc1cc(C)cc2cccnc12 179683818 JSDYPCDVJROSNG-UHFFFAOYSA-N 254.333 3.838 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)CCc2ccccc2)CC1 111432805 PMBHZPWIBMRBAQ-OAHLLOKOSA-N 286.419 3.615 30 20 CHED CCOc1ccc2c(c1)[C@H](Nc1ccc(C#N)cc1)CCO2 302447027 SHILURUEYFYOAW-QGZVFWFLSA-N 294.354 3.893 30 20 CHED C[C@@H]1CCC[C@H](CNc2nc(Cl)c(C#N)s2)C1 300682128 LRDMZFQIBRNPNN-BDAKNGLRSA-N 269.801 3.906 30 20 CHED CCOc1cc(C#N)ccc1OCc1c(F)cccc1F 129845218 KVEMYRALJQTEJV-UHFFFAOYSA-N 289.281 3.814 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 127582151 HKZQGDSYYDDUQV-GOSISDBHSA-N 295.386 3.516 30 20 CHED Cc1ccccc1CC(C)(C)Nc1ncccc1C#N 301612914 GMXWFTLXEXYEJA-UHFFFAOYSA-N 265.360 3.695 30 20 CHED C[C@H](CCC(=O)N(CC#N)C1CCCC1)c1ccccc1 122028343 PHOLCFHWOXWLKT-OAHLLOKOSA-N 284.403 3.865 30 20 CHED C=CCCCCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 302251892 NFRWMJWKNYUMNG-UHFFFAOYSA-N 296.330 3.783 30 20 CHED CC(C)CC1CCN(c2snc(Cl)c2C#N)CC1 301691457 YWNJXYXWTIQDJH-UHFFFAOYSA-N 283.828 3.931 30 20 CHED N#Cc1ccc(NC(=O)NC2CC(c3ccccc3)C2)cc1 77414443 VNEUTUGYQPCRIQ-UHFFFAOYSA-N 291.354 3.626 30 20 CHED C=CCN(C(=O)CC1CCSCC1)c1ccccc1 128473597 OYTBNUCPGPSTNR-UHFFFAOYSA-N 275.417 3.739 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](C)CC 189150341 RGGKEVNDBPMLGR-CQSZACIVSA-N 275.392 3.646 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C2(C#N)CCCC2)C1 78185086 CAFKYPDLPOABIF-CVEARBPZSA-N 296.414 3.783 30 20 CHED N#Cc1ccc(NCc2ccc(-c3ccccc3)o2)nc1 76871628 PIHGGUBMZMDRNE-UHFFFAOYSA-N 275.311 3.825 30 20 CHED CCC(CC)S(=O)(=O)/N=C(\O)CCCC(C)(C)C 73838243 ILPXYGCGGPXRJM-UHFFFAOYSA-N 277.430 3.678 30 20 CHED Cc1ccc(CNc2cc(C#N)ccc2OC(C)C)c(C)n1 187725856 BLIQBMOYSXTGLO-UHFFFAOYSA-N 295.386 3.969 30 20 CHED C=C(C)[C@H](NCc1nccs1)c1ccc(F)c(F)c1 187369194 KUNUYLQMOXOSQV-AWEZNQCLSA-N 280.343 3.828 30 20 CHED C=C(C)CN(C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 181270629 IXBGSVZTPQLZOI-ZDUSSCGKSA-N 294.826 3.792 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Oc1ccc(OCCC)cc1 187860381 NSYNEEUCJSSWOO-KRWDZBQOSA-N 292.375 3.610 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)cc1SC 415884329 PPPHVVXBIMUSKE-AWEZNQCLSA-N 262.378 3.595 30 20 CHED C[C@@H](Sc1nnnn1C1CCCC1)c1cccc(C#N)c1 189819351 IAAZBLAJGXRMTP-LLVKDONJSA-N 299.403 3.513 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 315523419 KDTGFYSORWIAIY-MEELUSRTSA-N 297.358 3.703 30 20 CHED N#CCOc1cccc(CNC2C3CC4CC(C3)CC2C4)c1 315793053 ZFJRNTQOONIUBI-UHFFFAOYSA-N 296.414 3.503 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(Cn2cccn2)cc1 124719560 PADQUZTWRXIZPW-UHFFFAOYSA-N 295.386 3.638 30 20 CHED Cc1cncc(C(=O)/C=C/c2cccc3c2OC(C)(C)C3)c1 184772478 LIAVWFRNGBQKFL-BQYQJAHWSA-N 293.366 4.000 30 20 CHED COc1ccc(/C=C/C(=O)c2cccs2)cc1F 72751849 FKYDMWDFAKEFFH-GQCTYLIASA-N 262.305 3.792 30 20 CHED COc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)cc1 37216135 GYLZPTNCCPKFBQ-CYBMUJFWSA-N 282.343 3.771 30 20 CHED COc1ccc(C#N)cc1COc1cnc2ccccc2c1 187895061 HMHDUNJKJBTIBP-UHFFFAOYSA-N 290.322 3.694 30 20 CHED CC[C@@H](NCCCC1(C#N)CCOCC1)[C@@H]1CC1(C)C 419317218 ROASPQVGNXUCBM-LSDHHAIUSA-N 278.440 3.501 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](CC)C1 413842682 YKJGRKOLYCKJKB-RDJZCZTQSA-N 286.419 3.615 30 20 CHED C=CC[C@@H](C(=O)N(CC)CCCC)c1ccccc1 186392943 SGGAENUYJOVQBK-MRXNPFEDSA-N 259.393 3.995 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ccc(OCC)cc1 182633525 QDELUHXDKIHDCM-OAHLLOKOSA-N 289.419 3.879 30 20 CHED C=CCCN[C@@H](C)c1oc2ccc(OC)cc2c1C 184333761 ZQWABZKLTKQMOI-LBPRGKRZSA-N 259.349 3.977 30 20 CHED N#Cc1cccc(CN2CC[C@@H]2c2ccccc2)c1F 340885692 YIHGLFSOCKJFPL-MRXNPFEDSA-N 266.319 3.644 30 20 CHED CC(C)CN(Cc1cn2ccccc2c1C#N)C(C)C 340902289 PJXZWSJEZMRPLB-UHFFFAOYSA-N 269.392 3.677 30 20 CHED C=CCCCN(C)C(=O)CCc1ccnc2ccccc12 76490761 UIYZYWKKCJGYBE-UHFFFAOYSA-N 282.387 3.592 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC(C)(C)C1)c1ccccc1 500916041 PMXBOPVCIPHUGG-OAHLLOKOSA-N 272.392 3.578 30 20 CHED C=C(C)CN(C)C(=O)NCCSc1ccc(Cl)cc1 180284040 QDKLPVAYFOHECQ-UHFFFAOYSA-N 298.839 3.650 30 20 CHED CC[C@H](C)CCC(=O)Nc1ccc(Cl)c(C#N)c1 505970428 HPXYABHJQATFQK-JTQLQIEISA-N 264.756 3.976 30 20 CHED C=C(C)CN(C)C(=O)CSCc1cccc(Cl)c1 180379318 MIHLWMUWAKHJJF-UHFFFAOYSA-N 283.824 3.608 30 20 CHED C=C(C)CN(C)C(=O)c1c(Cl)cccc1Cl 180427724 QVYMJFNXGVDMLO-UHFFFAOYSA-N 258.148 3.642 30 20 CHED Cc1ccccc1S(=O)(=O)/N=C(\O)C[C@@H](C)CC(C)C 70029391 WQALZTLEPDRCCJ-LBPRGKRZSA-N 297.420 3.713 30 20 CHED CC(C)C[C@@H](N)c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 414616803 KERWPXSFPMNVQN-CQSZACIVSA-N 298.390 3.584 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 416282226 BWQYUPSUYKIGOC-GJZGRUSLSA-N 288.391 3.747 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cccc(Cl)c1 414169117 RLHAGRKDXVNREM-NSHDSACASA-N 250.773 3.930 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)[C@@H]1C[C@H]1c1cccs1 417331218 LZJCVTFVRYTVSQ-XOKHGSTOSA-N 296.439 3.944 30 20 CHED CCCCCCC[S@](=O)Cc1cn2cccc(C)c2n1 133743888 BVSPOOXEFFLERJ-HXUWFJFHSA-N 292.448 3.862 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC)c(OCCC)c1 505887377 YKVAJNANQJEIQL-UHFFFAOYSA-N 277.408 3.882 30 20 CHED CCc1cc(OC)ccc1CNc1ccc(C#N)cc1 507729441 FBUCXRWTSLCDEO-UHFFFAOYSA-N 266.344 3.741 30 20 CHED C[C@H]1CC(=O)CC[C@@H]1C(O)=Nc1nc2ccsc2s1 329001859 WBQQCYOVGJIENG-CBAPKCEASA-N 294.401 3.951 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)CCN(C(C)(C)C)C2 416387079 JARXMXVNSHSTMD-UHFFFAOYSA-N 279.387 3.572 30 20 CHED N#C[C@H](NC(=O)c1ccc2c(c1)CCCC2)C1CCCCC1 506534365 XKGVGMTVZKMHPQ-SFHVURJKSA-N 296.414 3.768 30 20 CHED C[C@H]1CC(=O)Oc2cc(OCCCC(C)(C)C#N)ccc21 194692305 LGALHWQMAHQBBC-LBPRGKRZSA-N 287.359 3.808 30 20 CHED C=CCN(CC=C)C(=O)c1cccc2c(C)c(C)[nH]c12 193125900 QVYDDKWKNMPZGY-UHFFFAOYSA-N 268.360 3.599 30 20 CHED CCSc1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1 86296065 DXCQATOORHYYHL-NSHDSACASA-N 277.393 3.564 30 20 CHED C=CC[C@@H](C)NC(=O)CCOc1ccccc1C(C)C 505817725 KGTBHBWQDUIFIN-CQSZACIVSA-N 275.392 3.660 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 192618363 UUCMDJXIGHOOMW-GFCCVEGCSA-N 258.365 3.862 30 20 CHED CO[C@H](CC(C)C)CN(C)[C@H](C)c1cccc(C#N)c1 425543450 ZMKPIHOSWQJXOJ-RHSMWYFYSA-N 274.408 3.612 30 20 CHED N#Cc1ccc(N[C@@H]2CCSc3ccc(F)cc32)cn1 131058097 XAZUIECAQBYLFB-CQSZACIVSA-N 285.347 3.741 30 20 CHED C=CCOc1cccc(CN(C)Cc2cccc(C#N)c2)c1 194819482 DHWSVHCSBCWJOB-UHFFFAOYSA-N 292.382 3.755 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C)nn(CCC)c1C 131790177 AVSGHUJLBKWOOF-UHFFFAOYSA-N 291.439 3.728 30 20 CHED CCCCCCCC(=O)NC[C@](C)(O)c1ccc(F)cc1 131643296 XZCCQMHWXJGJBD-KRWDZBQOSA-N 295.398 3.510 30 20 CHED C[C@H](C#N)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 42568642 IMYJNOZAROWQPV-ZCFIWIBFSA-N 271.267 3.586 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H](C2CCCC2)C1 420874532 YSCLVULRLNOTHR-HUUCEWRRSA-N 264.413 3.563 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)s1 335683338 VAZOUUYBLVXPHO-IUODEOHRSA-N 296.395 3.638 30 20 CHED N#C[C@@H]1CCC[C@H]1/N=C(/O)N1CC2(CCC2)c2ccccc21 330036074 CIDCFALVRBPOTJ-DZGCQCFKSA-N 295.386 3.535 30 20 CHED C=Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(CC)cc2)cc1 518253768 KZFJJPRXEWQQAA-SFHVURJKSA-N 290.366 3.887 30 20 CHED CN(CCC#N)[C@@H]1CCCc2ccc(Br)cc21 91676604 DPFRGLJDRBLTPA-CQSZACIVSA-N 293.208 3.672 30 20 CHED C[C@@H](C#N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 336130726 XDKXYVRKNMCARD-IUCAKERBSA-N 297.185 3.599 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@@H]2CCSC2)c(C#N)s1 334831701 KGVIQBARYFDSER-SECBINFHSA-N 294.445 3.609 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(c2ccnc(C#N)c2)C1 425275477 BQZJBZNLDCQMCI-KRWDZBQOSA-N 277.371 3.931 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 424870320 KWDPAMFZELAYJB-LLVKDONJSA-N 297.320 3.810 30 20 CHED Cc1cc(C)c2cc(CN[C@@H]3CC[C@H](C#N)C3)[nH]c2c1 335285765 GBAVRDYTYAGDLU-UONOGXRCSA-N 267.376 3.567 30 20 CHED CC(C)c1nn(C)cc1N=C(O)c1scnc1C1CC1 330157856 PRPZYAQGEWHAGB-UHFFFAOYSA-N 290.392 3.514 30 20 CHED C[C@@H](CC#N)NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 334297526 MXIAZXRTYGMZHT-ZETCQYMHSA-N 296.157 3.507 30 20 CHED COC(C)(C)C[C@@H](C)/N=C(/O)c1csc(C(C)(C)C)n1 330872852 HLIGOCGKUBLZCV-SNVBAGLBSA-N 298.452 3.949 30 20 CHED C/C(O)=N/[C@H](CC1CCC1)C(O)=Nc1scnc1C 330143851 RJGKAWPSEUBVNN-LLVKDONJSA-N 281.381 3.575 30 20 CHED C=CCc1cc(CN(CCC)CC(F)F)cc(OC)c1O 92737464 MUDFCHKXUYQYFM-UHFFFAOYSA-N 299.361 3.606 30 20 CHED CC(C)N(CCC#N)Cc1csc(-c2ccsc2)n1 535073428 RCRNHTHZZJZECE-UHFFFAOYSA-N 291.445 3.996 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@@H](C)CC(C)(C)OC)s1 330867982 DNXCROPWXYHQQT-VIFPVBQESA-N 284.425 3.522 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc2ncccc2c1 339191912 FFIPMDZTYKHKPN-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H]1C1CC1 529432508 ALOQEFCVUXJAKI-LNHVQRHZSA-N 288.778 3.637 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@@](C)(C#N)CCc1ccccc1 248567979 NSWVREAORLKGFU-HDMKZQKVSA-N 286.419 3.700 30 20 CHED C=C1CCN(c2nc(-c3ccccc3C)ns2)CC1 527884709 KBFXYAJQNNNYAR-UHFFFAOYSA-N 271.389 3.670 30 20 CHED Cc1c([C@@H](C)NCC(C)(C)CCC#N)cccc1[N+](=O)[O-] 348205546 JTTIWIMNIRGKPM-CYBMUJFWSA-N 289.379 3.884 30 20 CHED C=CC[C@H](CO)CNCc1cc(-c2ccccc2)cs1 537021748 LJWLUFRHZNNPQZ-AWEZNQCLSA-N 287.428 3.689 30 20 CHED N#Cc1cccc(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)c1 340719101 CFDICLLYCJIDNY-RDJZCZTQSA-N 276.339 3.691 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 247052857 OPLQYMBNLUFCFG-LEWSCRJBSA-N 263.768 3.524 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCSc3ccccc32)C1 248835544 NACJMVGYJKKVHQ-IPYPFGDCSA-N 272.417 3.895 30 20 CHED C=CC[C@H]1N(C(=O)c2sc(C)nc2C)CCCC1(C)C 347419144 OSHJRBUZUYKMMT-CYBMUJFWSA-N 292.448 3.967 30 20 CHED Cc1ccnc(N(C)Cc2c(F)cccc2Cl)c1C#N 343521968 VRRKEIUOWWITMY-UHFFFAOYSA-N 289.741 3.691 30 20 CHED CC[C@H](CNC[C@H](C)CCC#N)Oc1ccccc1F 602574400 ZZRZJQWYKXRTGE-ZIAGYGMSSA-N 278.371 3.513 30 20 CHED C[C@H]1CN(C(=O)c2ccccc2CC#N)[C@@H]1c1ccccc1 601259842 DGTFXVHWYYSKRE-KSSFIOAISA-N 290.366 3.586 30 20 CHED Cc1cc(C)cc([C@@H](C)Nc2cc(C#N)ccn2)c1 342245244 QJHULPPJBWKPOL-CYBMUJFWSA-N 251.333 3.743 30 20 CHED CS[C@H]1CCCCN(c2ncc(Cl)c(C)c2C#N)C1 343518112 YCBDCJANOBCLPP-NSHDSACASA-N 295.839 3.637 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1ccccc1C(F)(F)F 255000555 YBHXOYSGCVWWJY-FPLPWBNLSA-N 294.276 3.643 30 20 CHED CC1(C)Cc2cc(/C=C\C(=O)c3cncc(F)c3)ccc2O1 255864416 YMMIPOGYZBFTKO-HYXAFXHYSA-N 297.329 3.830 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCOc2ccc(OC)cc21 344136069 QGDUGIXOKOVWQK-ZENOOKHLSA-N 275.392 3.709 30 20 CHED C=CCN(C(=O)C1(Cc2ccccc2)CCC1)C1CC1 347891249 BJLMHVFPWRMPIY-UHFFFAOYSA-N 269.388 3.576 30 20 CHED Cc1cccc(CSc2nc3c(cc2C#N)CCCC3)n1 345359266 AVUCBFKRQOQVRR-UHFFFAOYSA-N 295.411 3.828 30 20 CHED CCS[C@H](C)c1noc(-c2cccc(C#N)c2C)n1 346878126 UBAYCTXFBCOMBE-SNVBAGLBSA-N 273.361 3.731 30 20 CHED CC(C)c1csc(CNC2CCC(C)(C#N)CC2)n1 449189498 HPPHAPUGPNOZAV-UHFFFAOYSA-N 277.437 3.829 30 20 CHED CCC(C)(C)CCN1CCC[C@]2(CCCCO2)[C@H]1C#N 447908762 VKWJYSLWSIKNGS-NVXWUHKLSA-N 278.440 3.740 30 20 CHED N#Cc1cccc(CN2CC3(CCC3)[C@H]2c2ccccc2)n1 602677171 WCGGLMFXLXOYLX-GOSISDBHSA-N 289.382 3.680 30 20 CHED COc1cc(CNCC2(CC#N)CC2)cc2ccccc12 449302328 UZKNMEUJMGLYOF-UHFFFAOYSA-N 280.371 3.632 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CC[C@H](C)C1 444150593 SOOCUALHXHGDNR-KBPBESRZSA-N 252.402 3.563 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(C#N)cc2)CCCC1 449441826 SZEDHMYOAIFHHE-UHFFFAOYSA-N 282.387 3.653 30 20 CHED C[C@@H]1CC(CCNC2CCC(C)(C#N)CC2)C[C@@H](C)O1 449313840 PNXXSPFPGIGMFP-QBBMROGASA-N 278.440 3.642 30 20 CHED C=CC[C@H](C)NC(=O)N(CCC)Cc1ccc(OC)cc1 604900916 DXYVDAFLXISSJQ-AWEZNQCLSA-N 290.407 3.581 30 20 CHED Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)s1 600990302 RCUQVPSNPJIPOM-LBPRGKRZSA-N 284.384 3.728 30 20 CHED Cc1ccccc1-c1noc([C@@H](C)ON=C2CCC2)n1 266619726 KZGGQSWWLGTJSF-LLVKDONJSA-N 271.320 3.663 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 356623696 CXIKEBWQYPTKIT-RDJZCZTQSA-N 284.403 3.935 30 20 CHED CC(C)C1CCC(CNC(=O)c2ccc(CC#N)cc2)CC1 534001909 XMDOMYHEYFZTAH-UHFFFAOYSA-N 298.430 3.945 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1ccccc1C 268172233 QPKIXOMXUVKHBN-UHFFFAOYSA-N 257.377 3.722 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 538528736 YDZBQOXHJABDIM-UBDQQSCGSA-N 296.414 3.721 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1cc(C#N)cs1 531455827 ZSJGGVVJHOMLIH-UHFFFAOYSA-N 284.384 3.591 30 20 CHED C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C1(C#N)CCCC1 266873249 LJJXEDGZCNGPFW-NVXWUHKLSA-N 296.414 3.550 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)NCCCCC#N 351508958 JXFAVSAHDSLWBO-UHFFFAOYSA-N 287.407 3.548 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C(C)C)nc1C 352519931 SWLXOVZEXOOSJM-UHFFFAOYSA-N 274.408 3.846 30 20 CHED C[C@H](c1cc(F)ccc1F)N1CCC[C@](C)(C#N)C1 612159640 XDRDJRUVUKGPQM-IAQYHMDHSA-N 264.319 3.651 30 20 CHED C=CCC1(NC(=O)Cc2cccc3cccnc23)CCCC1 619113933 IPMXDKZYVSONEM-UHFFFAOYSA-N 294.398 3.782 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(O)cc1SC 350242596 SQFGHSZBCSRLOX-UHFFFAOYSA-N 265.378 3.655 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)c1cccc(Cl)c1 266263292 WROPXSZEAATPKF-WDEREUQCSA-N 251.757 3.524 30 20 CHED N#Cc1ccc(CNc2cccc(F)c2C#N)cc1Cl 619747128 DZARMWJAMHUCIP-UHFFFAOYSA-N 285.709 3.835 30 20 CHED CCC[C@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12 618177204 SYQGZWYGCHPGRZ-AWEZNQCLSA-N 297.402 3.863 30 20 CHED CC(C)[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 268589486 FMMOWMLXTPWLMV-OALUTQOASA-N 294.398 3.579 30 20 CHED N#Cc1cccc(C2(NC(=O)CCC3CCCC3)CC2)c1 269629722 VIVMBJAIMHLHNQ-UHFFFAOYSA-N 282.387 3.634 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)Nc1nccc(C#N)n1 450280579 YSZBNTFYSGJGCO-CYBMUJFWSA-N 280.375 3.517 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(C)C[C@H](C)C1CCCCC1 530040548 UNUNXZQOUXECIY-AWEZNQCLSA-N 299.418 3.550 30 20 CHED CC1CCC(C)(NC(=O)Nc2cccc(CC#N)c2)CC1 455914335 GDYWFGKNJBHBQQ-UHFFFAOYSA-N 285.391 3.843 30 20 CHED C#CCCCCNC(=O)N(Cc1ccc(F)cc1)C(C)C 268320966 JXTRTZQHLZGOSM-UHFFFAOYSA-N 290.382 3.549 30 20 CHED CCCCCCCCNC(=O)[C@H](C)c1c(C)n[nH]c1C 273080238 AZGRXXCPEMSFNW-GFCCVEGCSA-N 279.428 3.607 30 20 CHED CC[C@@H](N[C@H](C)c1ccccn1)c1ccc(C#N)cc1 278296124 RNLNCPKHCUHNGV-CZUORRHYSA-N 265.360 3.755 30 20 CHED Cc1ccc(Cl)c2ccc(N3CC[C@@](F)(C#N)C3)nc12 615531914 UMHIRRVGJGRCSD-OAHLLOKOSA-N 289.741 3.639 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccnc(SCC)c2)C1 617785316 IVGZHDKCSMJJPB-ZDUSSCGKSA-N 290.432 3.622 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 454207607 SYDDBDUDKOVADT-CQSZACIVSA-N 285.391 3.848 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cnc(C#N)c(Cl)c1 455751682 BBTNYKXMPXUQCF-SNVBAGLBSA-N 294.786 3.649 30 20 CHED CO[C@@H]1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1(C)C 360649022 SZEKEQHGLDHXQS-FGTMMUONSA-N 298.430 3.729 30 20 CHED CC[C@@H](OC(=O)CC(C)(C)C#N)c1cc(C)ccc1OC 278288415 CIZRDIPVOCQERN-CQSZACIVSA-N 289.375 3.938 30 20 CHED C=CCC1(C(=O)N2CCCC[C@H](SC)C2)CCCC1 450181440 RNSIKRDWDRXPAR-AWEZNQCLSA-N 281.465 3.867 30 20 CHED C[C@@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1F 274372378 WSZMGXLDTKUULP-YVEFUNNKSA-N 290.382 3.764 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1ccc(C)s1 455315785 UTYCDCNBNSUGRY-CYBMUJFWSA-N 278.421 3.869 30 20 CHED COc1ccc(C2(NC3CCC(C)(C#N)CC3)CC2)cc1 453177268 RDGJFZVPAPVMRU-UHFFFAOYSA-N 284.403 3.746 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 548286711 BTOXAEBZBFLLDT-YGRLFVJLSA-N 276.767 3.520 30 20 CHED C=CCN(C)C(=O)c1c(F)ccc(SCC2CC2)c1F 450789471 KAIXQDDARZBVAO-UHFFFAOYSA-N 297.370 3.725 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(F)c(F)c2)no1)OCC 270046166 PQNXEIUUHQVYQW-CYBMUJFWSA-N 294.301 3.539 30 20 CHED CC(C)(C#N)CC(=O)Nc1scnc1-c1ccccc1 278163385 AFCFHNZNXDREID-UHFFFAOYSA-N 285.372 3.688 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(-n2nc(C)cc2C)c1 454491959 UHSAJBUXBCPGAR-UHFFFAOYSA-N 298.390 3.577 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 450468719 OXRUSYHKGSKFJL-JKSUJKDBSA-N 257.377 3.605 30 20 CHED C=C(CC)CNC(=O)Cc1c(CC)oc2ccccc12 627684965 FXZDAGQNBVITJE-UHFFFAOYSA-N 271.360 3.620 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)N(C(N)=O)CCC2 278811744 XHRJZOPKXBJYLO-OLZOCXBDSA-N 287.407 3.531 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@@H]1CC[C@H](C)C1 464471883 CDJAUKSUVHIIBU-UONOGXRCSA-N 273.376 3.512 30 20 CHED C=C1CCN(c2nnc(CC3CCCCC3)n2CC)CC1 549445237 NGUQJPBOCKFOEX-UHFFFAOYSA-N 288.439 3.577 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC[C@H](C)CC(C)(C)C 468082177 WPFMSZPPYFSKFW-YOEHRIQHSA-N 283.456 3.794 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C#N)C(C)(C)C 464706920 FGJTXEWJTCAJLH-KBPBESRZSA-N 264.413 3.647 30 20 CHED CC(C)n1ncc2c1[C@H](N[C@@H]1CCC[C@H](C#N)C1)CCC2 373322951 DIQOGQDKDLKLQN-NUEKZKHPSA-N 286.423 3.513 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(C)c(C(F)(F)F)c1 465172268 SACIDOAQNACIHO-VIFPVBQESA-N 272.270 3.710 30 20 CHED C[C@@H](C#N)CN(C)C(=O)NC1CCC2(CCCCC2)CC1 469270385 LNKQCHVLGGLRRV-AWEZNQCLSA-N 291.439 3.681 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 464756743 QZTJKSAJJWZFGC-SUMWQHHRSA-N 298.361 3.789 30 20 CHED C=CCC[C@H](CCC)NCCc1cccc(C#N)c1 467432554 LRMNKKDHNXFVAG-KRWDZBQOSA-N 256.393 3.825 30 20 CHED CC(C)(C#N)CCCSCC(=O)Nc1ccc(F)cc1 280925599 DKVBGYXHYASJIH-UHFFFAOYSA-N 294.395 3.827 30 20 CHED C=C[C@@H](C)NC(=O)CCCC(=O)c1c(C)cc(C)cc1C 465106662 GMYWFPDCVPUZCZ-OAHLLOKOSA-N 287.403 3.656 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ccc(OC)c(OC)c1C 288472420 UWXLHYFJABKSCT-CYBMUJFWSA-N 291.391 3.546 30 20 CHED Cc1ccncc1CCCN[C@H](C)c1ccc(C#N)cc1 289209823 ILQMFBDQICBKSM-OAHLLOKOSA-N 279.387 3.545 30 20 CHED C=CC[C@H](CC)NCc1ccc(Oc2cnccn2)cc1 281219924 CYGQNRJYSYLYCL-HNNXBMFYSA-N 283.375 3.713 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(OCC(C)C)c1 468113785 ROCUBVXIKPUGOB-SFHVURJKSA-N 289.419 3.940 30 20 CHED CCC(CC)CN(CC)C(=O)[C@@H](C)c1cccc(C#N)c1 461906503 BDVKXRMHLFGXHQ-AWEZNQCLSA-N 286.419 3.946 30 20 CHED C=CCC[C@@H](NCCCCn1ccnc1)c1ccco1 556859001 QVMPVFGAJVCRNS-OAHLLOKOSA-N 273.380 3.553 30 20 CHED CCc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)sc1C 464168728 MCWZRNSINIMXSI-HNNXBMFYSA-N 278.421 3.677 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc2cc(OC)ccc2c1 287188149 KUGVMBJRAKLOSQ-UHFFFAOYSA-N 297.358 3.616 30 20 CHED C=CCC[C@H](N[C@H]1C[C@@H](OC)C1(C)C)c1ccco1 552268542 OZDABFYKPUUHCL-AEGPPILISA-N 263.381 3.690 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)Cc1ccsc1 555746786 GNJIZBWPROZWFV-LBPRGKRZSA-N 280.437 3.581 30 20 CHED CCCCSCCC(=O)Nc1scc(C)c1C#N 288894770 SJWVUUBZMDLOJG-UHFFFAOYSA-N 282.434 3.790 30 20 CHED C[C@H](CC(=O)N(C)[C@H](C)C#N)c1ccccc1C(F)(F)F 297934388 SKIHJWDPSKBKPZ-GHMZBOCLSA-N 298.308 3.569 30 20 CHED Cc1cc(Br)ccc1CN(C)CC(C)(C)C#N 552084842 BLSOCMRKVGARDN-UHFFFAOYSA-N 295.224 3.739 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)c1ccc(C)cc1 472842045 RGBJPVCHVUMGGQ-AWEZNQCLSA-N 260.381 3.712 30 20 CHED C=CCOCCCN1CC[C@@H](Cc2ccccc2)[C@H]1C 470779806 CRZPKFMBKHNOGG-AEFFLSMTSA-N 273.420 3.532 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(/C=C/C)cc1 557936406 DXQLGZAFVPMVON-FZZYSBJUSA-N 271.360 3.639 30 20 CHED C[C@H](N[C@@H]1CCc2nc(Cl)ccc21)c1ccc(C#N)cc1 806133683 PRVDSGZWJIDOLC-XHDPSFHLSA-N 297.789 3.945 30 20 CHED C=C(C)COCCNC(=O)[C@@H](CC(C)C)c1ccccc1 475056644 KXJCXNLWIALNRA-KRWDZBQOSA-N 289.419 3.525 30 20 CHED C[C@H](NC(=S)NCC(C)(C)CCC#N)c1ccccc1 806598624 TXVJUUYUXXVOIF-ZDUSSCGKSA-N 289.448 3.542 30 20 CHED C=CCCCCNCc1ccc(OC(F)F)c(F)c1 472041572 GTWLTSGPLPBFAV-UHFFFAOYSA-N 273.298 3.873 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801903742 YUMNDMQBDFHIBC-SKDRFNHKSA-N 289.272 3.797 30 20 CHED C[C@H]1CN(CCOc2ccccc2C#N)[C@H]1c1ccccc1 471022600 ODUZWJOTYQPWKK-HNAYVOBHSA-N 292.382 3.630 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc(COCCOC)cc1 291288386 RQMCXISGIGJWJZ-HOTGVXAUSA-N 291.435 3.540 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C\C1CCCCC1 804832527 OFVBICPHTQGZBE-YPKPFQOOSA-N 281.399 3.785 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 805348095 MWJPOQTXOJURAD-PKOBYXMFSA-N 298.430 3.552 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(C)c1F 472259269 QKUPBCZABCMDOO-UHFFFAOYSA-N 263.356 3.953 30 20 CHED C#Cc1ccc(CNCc2csc(-c3ccco3)n2)cc1 809628734 QCRBGKZUECWTTD-UHFFFAOYSA-N 294.379 3.674 30 20 CHED CCC[C@H](C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 299470437 BSVLINXMQKURRR-QWHCGFSZSA-N 258.365 3.562 30 20 CHED C=CCCCn1ccc(=O)c(OCc2ccccc2)c1C 645077197 KYMDCRVOFXZUDY-UHFFFAOYSA-N 283.371 3.702 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CC23CCCC3)cc1 564218588 HTYHHPXWSBPZKP-HZPDHXFCSA-N 282.387 3.510 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)c1ccc(C#N)[nH]1 294280191 ZSVODELBROWPHB-ZDUSSCGKSA-N 275.396 3.707 30 20 CHED C=CCCCCN[C@@H]1CCc2nc(Cl)ccc21 806160753 UJFZCBAKHWARJL-GFCCVEGCSA-N 250.773 3.668 30 20 CHED C=CCCCCN1CC2(CCC2)[C@H]1C1CCOCC1 569097521 QCQIBPXFAIMTMK-MRXNPFEDSA-N 263.425 3.624 30 20 CHED CC(C)CC(C)(C)CNC(=O)N1CCC(CCC#N)CC1 568755850 AIRKIICKMLTNTE-UHFFFAOYSA-N 293.455 3.784 30 20 CHED C#Cc1ccc(CN(C)[C@@H]2CCCc3nc(C)sc32)cc1 809577457 RMQPWUTWHZMRFH-QGZVFWFLSA-N 296.439 3.942 30 20 CHED CCc1nc(C)c(CNc2c(Cl)cccc2C#N)o1 291616720 AMENRKIWUBELLZ-UHFFFAOYSA-N 275.739 3.683 30 20 CHED C[C@@H]1/C(=C\c2ccccc2C#N)C(=O)c2ccccc21 809155655 CPPRUCMWGHWJSQ-VAKHEIKFSA-N 259.308 3.942 30 20 CHED CC(C)Oc1cccc([C@@H](C)NCc2ccc(C#N)cn2)c1 566415803 JXRFALPMSNTCAA-CQSZACIVSA-N 295.386 3.591 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)Nc1ccccc1CC#N 563158616 XIJNWCSKRBTKEX-UHFFFAOYSA-N 291.354 3.586 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 488714338 FDDZOTPZIJNLNM-OWLYRPNTSA-N 283.415 3.899 30 20 CHED Cc1cc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)cc(C#N)n1 561226650 FSPCQGXMIQGRCT-CJNGLKHVSA-N 287.407 3.515 30 20 CHED C#CCCCN[C@@H](CC)c1ccc(C(F)(F)F)cc1O 810219179 GKAIGLRBTXNAHR-ZDUSSCGKSA-N 285.309 3.865 30 20 CHED CC(C)[C@H](C)N(C)Cc1ccccc1C(C)(C)C#N 487359867 DZBXMVZCPNWUNS-AWEZNQCLSA-N 258.409 3.964 30 20 CHED CSCc1cnc(C=NNc2cccc(Cl)n2)s1 814939023 BPUGXARFUFNQRT-UHFFFAOYSA-N 298.824 3.501 30 20 CHED CC(=NOCCOC(C)C)c1ccccc1C(F)(F)F 812238500 XTDJGQCEYMAXAS-UHFFFAOYSA-N 289.297 3.871 30 20 CHED C=CCC(C)(C)CNC(=O)CSc1ccc(F)cc1 489980818 SJOGYUPCMULKPD-UHFFFAOYSA-N 281.396 3.636 30 20 CHED N#Cc1cccc(NCc2ccc(OCC3CC3)cc2)c1 480261549 UVSRVYWLYFOLTC-UHFFFAOYSA-N 278.355 3.959 30 20 CHED CC1(C)CCC[C@@H](C=NNc2nc(-c3cccnc3)no2)C1 814950488 IYUZTWUNOJLRBK-GFCCVEGCSA-N 299.378 3.746 30 20 CHED C=CCCC(CCC)=NNCCc1ccc(OC)cc1 814855848 VZGQHODZXZRQDN-UHFFFAOYSA-N 274.408 3.950 30 20 CHED COc1ccccc1C=NOCC[C@@H]1CC1(Cl)Cl 818074382 QVTNSTQIJLBIRZ-LLVKDONJSA-N 288.174 3.630 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C)c(OC)cc1Cl 816723678 DYSFNTXVVWMWMY-UHFFFAOYSA-N 289.709 3.807 30 20 CHED CCCCOc1ccc(C=NOC2CCC2)cc1OC 812235287 CDSJQCRFBSGCCX-UHFFFAOYSA-N 277.364 3.777 30 20 CHED CC(Cc1nc2ccccc2s1)=NOC1CCC1 812235414 GIXQCEOUNSEIOR-UHFFFAOYSA-N 260.362 3.784 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1cc[nH]n1 814861544 WYHLTHPKNVSMKI-UHFFFAOYSA-N 269.135 3.553 30 20 CHED C[C@@H](C#N)CNN=C1CCCC[C@@H]1C1=CCCCC1 814881864 ZLIFTMPMJOBEDG-DZGCQCFKSA-N 259.397 3.782 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3ncccc3C#N)C2)cc1 486480014 PACQJVKFXPRICM-YOEHRIQHSA-N 277.371 3.644 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(C(=O)CC)cc1 819941689 PEQRSZPSECETHA-UHFFFAOYSA-N 260.333 3.787 30 20 CHED C=CCOc1cccc(CNCc2cscc2C)c1 487151943 DWKRJHOLRPJKQM-UHFFFAOYSA-N 273.401 3.911 30 20 CHED Cc1ccc2snc(C(=O)O[C@@H](C#N)C(C)(C)C)c2c1 816013483 PYKPSCWLHIRLNY-LBPRGKRZSA-N 288.372 3.700 30 20 CHED CC(=NOCc1ccc(F)cc1)c1ccc(C)nc1C 814903542 OEEPEZFIYJLBGR-UHFFFAOYSA-N 272.323 3.778 30 20 CHED COc1ccc([C@H](C)C(C)=NOCCOC(C)C)cc1 812238286 QYZPLHDONPAVKH-CYBMUJFWSA-N 279.380 3.616 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(F)cc2C)no1 578697630 LJESZPQUYFMEEL-MRXNPFEDSA-N 274.339 3.962 30 20 CHED CC[C@@H](C)CN(C)Cc1ccc(Cl)cc1C#N 480553037 INCYDGGHUJXXAC-LLVKDONJSA-N 250.773 3.690 30 20 CHED C=CCN(C)C(=O)c1ccccc1NC1CCCCC1 480775362 PAZRUAXGVPILRC-UHFFFAOYSA-N 272.392 3.689 30 20 CHED CC#CCCCc1nc([C@@H](OCC)c2ccccc2)no1 576982815 ZDJOSDYVBCIYQI-INIZCTEOSA-N 284.359 3.542 30 20 CHED C#CCCCOC(=O)c1cc(F)c(Cl)cc1Cl 727041033 UCHHSZMNVVOYKK-UHFFFAOYSA-N 275.106 3.703 30 20 CHED CN(C)c1ccc(/C=C2/CCOc3ccccc3C2=O)cc1 728441824 QTMBLICXOWMDEG-SQFISAMPSA-N 293.366 3.801 30 20 CHED CCc1noc([C@H](C)Sc2ccc(C#N)c(C)c2)n1 578131438 AQUXEVNQWFFHGB-JTQLQIEISA-N 273.361 3.665 30 20 CHED C=C(C)CNC(=O)CSc1ccc(C(C)(C)C)cc1 490053966 LZJFPPLXBUGCPW-UHFFFAOYSA-N 277.433 3.769 30 20 CHED CC(C)c1ccc(C(=O)/C=C\c2c[nH]c(C(=O)O)c2)cc1 827112429 IRIBBSUEGPCIDR-BAQGIRSFSA-N 283.327 3.732 30 20 CHED COc1ccc(NCCCOc2ccc(C#N)cc2)c(C)c1 727167879 OQGKADAGTRJPSN-UHFFFAOYSA-N 296.370 3.756 30 20 CHED C=CCCC[C@H](N)c1nc(-c2c[nH]c3ccccc23)no1 904684918 ZYJKCNVIMRQWGC-ZDUSSCGKSA-N 282.347 3.574 30 20 CHED C[C@@]1(COc2ccccc2C#N)CC1(Cl)Cl 828519400 OYBWSBAQPCWSSA-NSHDSACASA-N 256.132 3.521 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(OC(C)(C)C)cc2)cn1 588467805 WGFAJGLYPSIZPW-WDZFZDKYSA-N 298.386 3.976 30 20 CHED CC[C@@H](/N=C/c1cccc(O)c1O)c1ccc(F)cc1F 737440361 FYEPZILWNXAUTJ-MRGVZLDZSA-N 291.297 3.946 30 20 CHED C=CCCN1CCC[C@@H]1COc1ccc(Cl)cc1 739905350 WOYSKXVVYHLMQS-CQSZACIVSA-N 265.784 3.759 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc(C)c(C)s1 490291766 VPRAQGIWBGCNEQ-UHFFFAOYSA-N 289.400 3.829 30 20 CHED C#CCCCC(=O)N1CCCc2c1cccc2C(F)(F)F 824123961 IRKLWQJWXYLUKN-UHFFFAOYSA-N 295.304 3.788 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(CN(C)C)c(C)c1 822484370 NLZJEZKWGHJPCE-AWEZNQCLSA-N 274.408 3.597 30 20 CHED Cc1nc2c(s1)C(=NNc1ncccc1Cl)CCC2 730946543 BJBLYDHMCCXXHJ-UHFFFAOYSA-N 292.795 3.652 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C\C1CCCCC1 735435680 YNPPWUVEAKAXOG-RAXLEYEMSA-N 299.389 3.924 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(C)nc2C)c1 834902683 KGVMPRKMTWWWGY-AWEZNQCLSA-N 264.372 3.531 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 736400564 YJTPPHRLSRGODS-ZQDZILKHSA-N 296.842 3.739 30 20 CHED CC(C)(C)C#CC(=O)Nc1cnc(-c2ccccc2)s1 837508485 UOJGJDCEYXHLSN-UHFFFAOYSA-N 284.384 3.798 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(O)cc1F 735614938 FSEWXYJOWZQWFX-UHFFFAOYSA-N 280.249 3.646 30 20 CHED C=CCN(C(=O)N[C@H](C)CCC=C(C)C)C(C)C 838656037 KBPFMQAZKOLHFN-CQSZACIVSA-N 252.402 3.727 30 20 CHED CCn1ccnc1C(C)=NNc1cccc(C(F)(F)F)c1 834916900 QHHDPNIZPJZSQU-UHFFFAOYSA-N 296.296 3.758 30 20 CHED N#CCCN(C(=O)c1ccoc1Cl)c1ccc(F)cc1 584269704 OLLMFLQNFPLZLA-UHFFFAOYSA-N 292.697 3.633 30 20 CHED C=C(C)CCOC(=O)c1ccsc1Br 835190566 YFWGUYPCOQETQZ-UHFFFAOYSA-N 275.167 3.634 30 20 CHED N#CCCCCCC(=O)NC[C@H]1CCCCC(F)(F)C1 589996172 WPQGVGYXFDINEN-ZDUSSCGKSA-N 286.366 3.792 30 20 CHED CSc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839053805 FDQKNIYLJLXOHY-WCQYABFASA-N 275.373 3.648 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@H]2CCCc3ccccc32)C1 839042074 COJFPQLKAZLKNL-UNEWFSDZSA-N 283.371 3.732 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2c2ccnc(C#N)n2)cc1 582676200 DXTRETHUUSSUMN-KDOFPFPSSA-N 292.386 3.634 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 908644942 QKLSJPMMYOBAHJ-KRWDZBQOSA-N 299.414 3.536 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cccc(C)c2C)cc1 734305126 JCBWDNDNRAPPNF-XFXZXTDPSA-N 294.350 3.986 30 20 CHED CC(C)(C)CC(=NNc1ccncn1)c1ccc(F)cc1 835002393 PTDFJPMQONBBSX-UHFFFAOYSA-N 286.354 3.868 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)[C@H](C#N)c1nc2ccccc2o1 835076428 IYHPMZIQJYVFKC-BWACUDIHSA-N 282.343 3.830 30 20 CHED C[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1c(F)cccc1F 839059276 ZRWZDMLUJLBJFX-QJPTWQEYSA-N 293.313 3.694 30 20 CHED CSc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)ccc1F 839051597 DXGFRPCTFQKGMG-CMPLNLGQSA-N 293.363 3.787 30 20 CHED CC(C)CCCCC(=O)OCc1ccc(OCC#N)cc1 838432264 ZFNHPEPBZJXPEC-UHFFFAOYSA-N 289.375 3.849 30 20 CHED N#CC1(C(=O)OCCCC2CCCC2)CCCCC1 744864526 ZEFIOCYOEYVRNM-UHFFFAOYSA-N 263.381 3.974 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(C)s1 839041651 BYQSLTGKTOZLQS-RYUDHWBXSA-N 263.362 3.604 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccc(Cl)nc1)CC2 743449635 BAGCRVAYLDYNOL-UHFFFAOYSA-N 271.751 3.806 30 20 CHED CCc1ccc(C(C)(C)C(=O)N2CCC[C@H](CC#N)C2)cc1 597908214 OZKPOYZNMZZEDS-MRXNPFEDSA-N 298.430 3.679 30 20 CHED COc1ccc(CNN=Cc2coc3ccccc23)cc1 746565991 RWIHZRYYIZUTJC-UHFFFAOYSA-N 280.327 3.565 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(C)c(C)c1 746681710 NXIVDJRUDFPZGG-UHFFFAOYSA-N 299.330 3.666 30 20 CHED N#CC1(CNCc2c(Cl)ccc3cccnc23)CCC1 591357622 JDLKQHYOJVBUGB-UHFFFAOYSA-N 285.778 3.672 30 20 CHED CCN(C(=O)/C=C/c1ccccc1C#N)c1cccc(C)c1 914472474 RSFQJCHLDWZNTK-VAWYXSNFSA-N 290.366 3.933 30 20 CHED N#CC1(C(=O)N[C@@H](C2CCCCC2)C2CCC2)CCC1 592697765 XNNLRCFBEVKUDH-HNNXBMFYSA-N 274.408 3.545 30 20 CHED CCN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)[C@@H](C)C#N 598349216 KAGIRGSIFATGGT-WDEREUQCSA-N 298.308 3.727 30 20 CHED CCC[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)OCC 599058787 GAATXVMQKUSMOW-WMZOPIPTSA-N 286.419 3.730 30 20 CHED CC[C@H](C)NC(=S)N(CC(C)C)c1ccc(C#N)cc1 749765900 CRIIPCVOPZPTSQ-ZDUSSCGKSA-N 289.448 3.694 30 20 CHED C[C@H]1SCC[C@@H]1Nc1c(Cl)cccc1C#N 591998140 GVWGQAUQMPYFEO-KCJUWKMLSA-N 252.770 3.518 30 20 CHED C[C@H]1C[C@@H](C)CCN(C(=O)CC2(C#N)CCCCC2)C1 597432742 NPTRYIIBXOXTMT-GJZGRUSLSA-N 276.424 3.745 30 20 CHED CCCN(Cc1ccccc1F)[C@@H]1CC[C@@H](C#N)C1 595781184 ACBGQRKTQSMQDB-UKRRQHHQSA-N 260.356 3.730 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1cc(C#N)ccc1OC 849847575 WFVGQHXVAABYGR-MRXNPFEDSA-N 293.338 3.528 30 20 CHED C=CCN(C(=O)N[C@H](C)[C@@H](C)c1ccccc1)C(C)C 747587991 APJJQXRGTSNSNA-HUUCEWRRSA-N 274.408 3.785 30 20 CHED CC(C)CC[C@@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N 598597549 GPEMDAXQXIWFCC-HOTGVXAUSA-N 280.456 3.578 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCc3c(F)cc(F)cc32)cc1 594712647 VDGKAPMGWJSWEU-GOSISDBHSA-N 298.336 3.656 30 20 CHED Cc1ccc2ncc(COC(=O)C3(C#N)CC(C)C3)cc2c1 840305451 LCCZWEXBEHNCKD-UHFFFAOYSA-N 294.354 3.526 30 20 CHED C#CCNc1ccc(Oc2ccccc2)cc1OC 746664509 HXDBLDBYAHGSFQ-UHFFFAOYSA-N 253.301 3.533 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#N)s1)CC2 749004280 CTGSPWCKHZLOES-XYOKQWHBSA-N 295.363 3.841 30 20 CHED CC(C)CCC[C@H](C)NC(=O)N1CCC[C@@H](CC#N)C1 595435212 MGYPBYZJWKZLSK-GJZGRUSLSA-N 279.428 3.536 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cc2ccncc2s1 595045033 BDGWAKMZCKZVOE-NSHDSACASA-N 271.389 3.641 30 20 CHED C=CCOc1ccc(OC(=O)CC(C)(C)CC)cc1 744617671 NTHOUUZCRSXZTK-UHFFFAOYSA-N 262.349 3.983 30 20 CHED N#CCOc1cc(F)ccc1NCC1CCC(F)(F)CC1 841695272 CWLUDJYAFDTMNR-UHFFFAOYSA-N 298.308 3.965 30 20 CHED N#CC1(CCSCc2ncccn2)CCCCC1 842178822 GGXGTKKXVOEOJC-UHFFFAOYSA-N 261.394 3.574 30 20 CHED C(=NOCCC1=CCCCC1)c1ccc(-n2cncn2)cc1 842020315 LXDSFYAAXFZWGF-UHFFFAOYSA-N 296.374 3.508 30 20 CHED CS[C@@H]1CC[C@H](/N=C\c2cc(Cl)ccc2O)C1 743042214 IAVPTAOXFWYHAF-AQXMUXADSA-N 269.797 3.749 30 20 CHED N#CC1(c2ccc(-c3ccncc3Cl)cc2)CCOCC1 844233066 ZDAASTLQIRJZJU-UHFFFAOYSA-N 298.773 3.974 30 20 CHED Cc1cc(F)c(C=NOCC(F)(F)F)c(Cl)c1 841630518 QOYVJVJCVCCVRG-UHFFFAOYSA-N 269.625 3.700 30 20 CHED CC(CCc1cccc(C)c1)=NOCc1cccnc1 746588038 JBPXYOZFEJMZJP-UHFFFAOYSA-N 268.360 3.915 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c(C)c1 593934008 IVHCNQSQIODBTJ-HNNXBMFYSA-N 292.382 3.992 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cccc(CN(C)C)c1 926426845 QRDPFIZUWNNRPX-OAHLLOKOSA-N 287.451 3.729 30 20 CHED C=CCc1cc(C=NOCc2ccccc2)cc(OC)c1O 747047048 OSDVWUWCAHLBDF-UHFFFAOYSA-N 297.354 3.680 30 20 CHED C=CCOc1ccc(CN[C@@]2(CC)CCOC2)cc1Cl 682952165 GVZSRTQTTZTQCF-INIZCTEOSA-N 295.810 3.564 30 20 CHED CCN(CC)C[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 929751255 YOYSIRJOMUKNTJ-KRWDZBQOSA-N 291.483 3.514 30 20 CHED CCC(=CC(=O)N(CCC#N)CC(CC)CC)CC 759184254 UZDDSOWBJMUFAS-UHFFFAOYSA-N 264.413 3.911 30 20 CHED C=C(C)[C@H](C)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 755988785 NPHFJTHQIKROLA-ZDUSSCGKSA-N 284.359 3.815 30 20 CHED C#CC(=O)N[C@@H](CCCCc1ccccc1)c1ccccc1 754088799 XYARHMOPSMJMLW-IBGZPJMESA-N 291.394 3.890 30 20 CHED CCOc1ccc(/C=N/Cc2ccccc2F)c(O)c1 920942256 UNRSISANGYNAAX-WOJGMQOQSA-N 273.307 3.549 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)c(F)c1 851210122 RMQDYRSODALIOT-NSHDSACASA-N 263.312 3.619 30 20 CHED CCCCCCCCNC(=O)NCc1nc(C)c(C)s1 754865124 KLMJFGAQFQEBKF-UHFFFAOYSA-N 297.468 3.920 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)cc2)c(O)c1C 756417228 LPPBUXRWFWNKAP-AWEZNQCLSA-N 280.371 3.732 30 20 CHED CO[C@@]1(C)C[C@@H](Nc2nc3ccccc3cc2C#N)C1(C)C 750030685 VLVGLBQEMSBDEP-QAPCUYQASA-N 295.386 3.722 30 20 CHED CC(CCc1cccc(C)c1)=NNc1ncc(Cl)cn1 857223077 IBFXHCQMXRMOJP-UHFFFAOYSA-N 288.782 3.859 30 20 CHED Cc1ccc(C=NNc2cc(F)cc(F)c2)s1 920376847 VLTITQILTUKOJF-UHFFFAOYSA-N 252.289 3.781 30 20 CHED Clc1ccc2c(c1)CCC2=NN=c1cc[nH]cc1Cl 756842504 SVNSAKQMDCBCJA-UHFFFAOYSA-N 292.169 3.573 30 20 CHED CC(C)CC(=NNc1ccc(Cl)cn1)c1ccccn1 853437442 NTDKNMXTZXUNAT-UHFFFAOYSA-N 288.782 3.992 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1 757467824 NDTKYVURVBBFII-UITAMQMPSA-N 298.338 3.781 30 20 CHED C=C(Br)CNC(=O)Nc1ccc(CCC)cc1 921113816 PYXSHEYSSIWVDA-UHFFFAOYSA-N 297.196 3.669 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccsc1 759084745 QHSANQAEMIOUPW-UPHRSURJSA-N 255.751 3.754 30 20 CHED CC1(C)CCC[C@@H](CNCc2ccc(OCC#N)cc2)C1 752065930 CRWACIMRGKQOLO-MRXNPFEDSA-N 286.419 3.895 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851204755 USWQKIQJAASXHB-UPJWGTAASA-N 251.370 3.684 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1C=CCC1)c1ccccc1 855430929 ODBWAMKZTXQSQU-HOTGVXAUSA-N 255.361 3.571 30 20 CHED N#CC1(CC(=O)OCc2cc(Cl)ccn2)CCCCC1 850813410 DNTGUYHLMCWRQH-UHFFFAOYSA-N 292.766 3.642 30 20 CHED C#CC(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C 754028123 VULSNWBMCAWROB-GFCCVEGCSA-N 298.213 3.558 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cnc2ccsc2c1 755821930 IYUPRDAQAHVYTI-AWEZNQCLSA-N 276.361 3.564 30 20 CHED CC(C)CC[C@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 930205870 OYXMVJVFLVQKHF-CVEARBPZSA-N 294.826 3.681 30 20 CHED Cc1ccc(C(=O)OC2(C#N)CCC2)cc1C(F)(F)F 860594371 VMOIMKBIVRBSGR-UHFFFAOYSA-N 283.249 3.617 30 20 CHED CCCCCCCOC(=O)[C@H]1CCC(=O)[C@@H](C)C1 761454814 IHSKNPFQPGLQRY-STQMWFEESA-N 254.370 3.505 30 20 CHED CCCCC(=O)OCc1ccccc1C(C)(C)C#N 767977396 KOWJAZBDLJIQKD-UHFFFAOYSA-N 259.349 3.721 30 20 CHED C=CCOCC(=O)O[C@@H](CC)c1c(F)cccc1Cl 763568374 XJQBGUTYXQMNCZ-LBPRGKRZSA-N 286.730 3.676 30 20 CHED Cc1cccc(C)c1CNC(=O)/C=C/c1ccccc1C#N 765671067 NSLUOHAZZUHBDG-ZHACJKMWSA-N 290.366 3.505 30 20 CHED C=C(Cl)C[C@@H](NCC1CCC(CCC)CC1)C(=O)O 864519715 XDGMQXXVZYPLPE-JXQTWKCFSA-N 287.831 3.778 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(C)c(O)c(C)c1C 935451102 KBQNLQANXOLFTQ-CYBMUJFWSA-N 261.365 3.858 30 20 CHED CCSCC[C@H](C)N(C)C(=O)Nc1sccc1C#N 931841490 DAMIJHWYIGEJKC-JTQLQIEISA-N 297.449 3.615 30 20 CHED C[C@H](Cc1ccccc1Cl)N[C@@H]1CCC[C@H](C#N)C1 765927836 JNNZRBRBIRJGSE-VNHYZAJKSA-N 276.811 3.943 30 20 CHED C=C(CNC(=O)C1([C@@H]2CCCCO2)CCC1)c1ccccc1 868347231 KCUGITGKTAXARF-KRWDZBQOSA-N 299.414 3.555 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1ccc[nH]1 760346990 OSLZIISQHPPHLY-OAHLLOKOSA-N 297.402 3.516 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(Cl)nc1C 935717829 MTCAENOBTPVWKM-SNVBAGLBSA-N 252.745 3.584 30 20 CHED CCC[C@@H](C(=O)Oc1ccc(C#N)c(OC)c1)C(C)C 767153515 CYCVLTSZFZYOIQ-CQSZACIVSA-N 275.348 3.545 30 20 CHED CCc1nc2ccccc2n1N=C[C@H]1C[C@H]2CC[C@H]1C2 762418867 UMSTZLZPKDTSPS-MELADBBJSA-N 267.376 3.869 30 20 CHED CC(C)CCCn1ccc(-c2ccc(C#N)cc2)n1 762213436 ZVEAESIKMSKWOQ-UHFFFAOYSA-N 253.349 3.858 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C(C)(C)C)oc2c(F)cccc12 765618609 PIQHTZBAARTVJB-GFCCVEGCSA-N 289.306 3.975 30 20 CHED Cc1cccc(C(=O)OCc2ccc(C#N)cc2F)c1F 761277937 COQLVJHMBBFEFG-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC(C)CCN(CCC#N)c1cc(Cl)nc(C2CC2)n1 767262768 YCRCLMRKGWIZPW-UHFFFAOYSA-N 292.814 3.774 30 20 CHED CCC(=NNCc1cnc2ccccc2c1)C1CC1 764779316 RITNZZMVBJJBIT-UHFFFAOYSA-N 253.349 3.500 30 20 CHED Oc1ccc(Cl)cc1/C=N/[C@H]1CCC(F)(F)C1 763095076 ACFHRYBHOCAVBJ-NPVNMOQSSA-N 259.683 3.652 30 20 CHED CC(=NNc1nc2c(C)cccc2s1)C1CCOCC1 872419777 UQKLOPFLQRGFBY-UHFFFAOYSA-N 289.404 3.819 30 20 CHED CSC(C)(C)CCN(C)Cc1cccc(C#N)c1 876572689 PKEJJUJUQBROQK-UHFFFAOYSA-N 262.422 3.522 30 20 CHED C=C(Br)CN(CC)[C@H](C)Cc1ccsc1 778373841 ODABLHOGIMAGBT-LLVKDONJSA-N 288.254 3.910 30 20 CHED C#CCCCCCC(=O)N(c1ccccn1)C1CCCC1 779987037 SVELINKKAGCHNB-UHFFFAOYSA-N 284.403 3.941 30 20 CHED Cc1cccc(CCC(=O)OCc2ccc(CC#N)cc2)c1 776112551 JAGYCVSSJSZXSG-UHFFFAOYSA-N 293.366 3.737 30 20 CHED Cc1cc(F)ccc1-c1nnc(-c2ccc(C#N)cc2)o1 1117214765 ZIRNCONVFTXLKJ-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C#CCCCCCC(=O)Nc1cccc(-c2ncco2)c1 779940403 BEUOVJAZGVHXRB-UHFFFAOYSA-N 282.343 3.864 30 20 CHED CSc1ccc(C(=O)/C=C/c2ccn(C)n2)c(Cl)c1 773161319 PQGVXPLVPYGPNL-ZZXKWVIFSA-N 292.791 3.692 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1 779459857 IBKRWIRSHKUZBG-AATRIKPKSA-N 268.703 3.503 30 20 CHED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@@H]2F)cc1 1125441204 JGTRQQGUDLVCQJ-CABCVRRESA-N 296.301 3.647 30 20 CHED C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 786443240 IEJOYIJBZVTLAK-AWEZNQCLSA-N 288.435 3.819 30 20 CHED c1ccc([C@H]2CCCCC2=NOC[C@@H]2CCOC2)cc1 788036150 FBUKTHDLGYKQKL-GDBMZVCRSA-N 273.376 3.753 30 20 CHED N#CCOc1cccc(NCc2cc3ccccc3[nH]2)c1 789747284 NOCCVEVTTLURST-UHFFFAOYSA-N 277.327 3.682 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2cc(C#N)ccc2F)CC1(C)C 888369440 WLZXSPDODXOBFP-AWEZNQCLSA-N 289.354 3.596 30 20 CHED CCCCCCCCNC(=O)C[C@@](C)(O)c1ccccc1 780995131 JJRRSVGVODZKGL-GOSISDBHSA-N 291.435 3.761 30 20 CHED COc1ccc(/C=C\C(=O)c2cncs2)c(Cl)c1 787168432 IHMXFBLOEKPJEV-HYXAFXHYSA-N 279.748 3.701 30 20 CHED SCc1cc(-c2ccc(Br)s2)on1 57969039 KMIUSDXLYDJGLW-UHFFFAOYSA-N 276.180 3.595 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)cc1OC 782628946 PFSUBGDOHVTCCN-HNNXBMFYSA-N 297.782 3.516 30 20 CHED C#CCCCCc1nc(-c2cccc3ncccc23)no1 789856152 PGPHOHKLLZKOOZ-UHFFFAOYSA-N 277.327 3.631 30 20 CHED C=C(Cl)CN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C 782097362 JHCNRBHCQFLARB-RYUDHWBXSA-N 265.784 3.755 30 20 CHED COc1cc(F)ccc1NN=Cc1sccc1Cl 782286087 UISOWUYMPKZHTR-UHFFFAOYSA-N 284.743 3.995 30 20 CHED COc1cc(NN=C(C)[C@@H]2CCCOC2)ccc1Cl 788471849 IORJTOVFFKNIOL-LLVKDONJSA-N 282.771 3.563 30 20 CHED COc1cccc(F)c1C(=O)O[C@H](C)c1cccc(C#N)c1 783879204 YTNAHIVEIOSHCX-LLVKDONJSA-N 299.301 3.624 30 20 CHED Cc1ccc2c(c1)C(=NN[C@H]1CCOC(C)(C)C1)CCC2 780250147 GUIWTLJZAKJOAI-HNNXBMFYSA-N 286.419 3.583 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 780381377 JYQSZMWOSKOVRG-CYZMBNFOSA-N 283.375 3.730 30 20 CHED C/C=C(\CC)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 789662777 WEKKJDZTJWJIGC-DQPCJIFYSA-N 296.292 3.743 30 20 CHED C#CCC(C)(C)c1nc([C@@H](C)c2cccc(F)c2)no1 897079306 WDYKLYRFMMLNSF-NSHDSACASA-N 272.323 3.661 30 20 CHED Cc1cc(C)cc(CSc2cccc(C#N)n2)c1 94718358 KSSRJQKXMHEUND-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C 782081579 KLIDPXWXBDITGQ-GJZGRUSLSA-N 299.414 3.723 30 20 CHED Cc1cc(-c2cc(F)cc(F)c2)nc(Cl)c1C#N 95831311 VQRLCBZAZQCGGG-UHFFFAOYSA-N 264.662 3.860 30 20 CHED N#Cc1cccnc1NCCC1CCC(F)(F)CC1 897248607 TUUDWPWNOGQNRK-UHFFFAOYSA-N 265.307 3.581 30 20 CHED CSCCON=C(C)Cc1ccccc1SC 794574914 UUBICGANUXZUJD-UHFFFAOYSA-N 269.435 3.707 30 20 CHED Cc1c(Br)cncc1N[C@@H]1CCC[C@H](C#N)C1 897833781 YBSJYZSJIBHBFT-WDEREUQCSA-N 294.196 3.647 30 20 CHED C=C1CCC(c2nc(-c3csc(C)n3)no2)CC1 896482781 PVMNRZAZCIGYNV-UHFFFAOYSA-N 261.350 3.715 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N=C1C[C@H](C)ON1 1138003393 TWKBLJVGGUWCOI-GXTWGEPZSA-N 280.412 3.612 30 20 CHED N#Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1Cl 190246704 PTYOJEYDJBJSMU-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CCCCC(=O)OCc1cc(Br)cc(C#N)c1 790861127 AWWNBECSHYYKIJ-UHFFFAOYSA-N 296.164 3.554 30 20 CHED C#CCC(C)(C)C(=O)Oc1cccc2c1CCC(C)(C)O2 799412815 LAESTIISCPBWCS-UHFFFAOYSA-N 286.371 3.745 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](C)c1ccccc1SC 799979539 HULMNGIDNSKQBI-OLZOCXBDSA-N 290.432 3.571 30 20 CHED CCC/C=C/C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570633 ILUIBIKUBPHSJI-WSKFYRRCSA-N 276.405 3.973 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C/c2ccnn2C)c1 794724209 ODMYQEWVTIXNNB-BQYQJAHWSA-N 268.360 3.515 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)c1cn(C)nc1C 793530344 ZZXSFDPCJKCFMC-ZIAGYGMSSA-N 263.429 3.904 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](C)c1ccc(F)c(F)c1 797884596 RFPHFHMQFLTVGD-MRVPVSSYSA-N 291.253 3.656 30 20 CHED C=CC[C@@H](CC)NCc1cc(Br)cc(C)c1O 798958612 FZPRCXVAJRFLLM-CYBMUJFWSA-N 298.224 3.907 30 20 CHED CO[C@@H](CNc1nc(C)c(C#N)cc1Cl)C1CCCC1 692983800 RMHWUJOKAYSESK-AWEZNQCLSA-N 293.798 3.532 30 20 CHED C=CCN(CC(=O)Nc1ccc(C)cc1C)C(C)(C)C 661755099 JYZALWXAFJWTGF-UHFFFAOYSA-N 274.408 3.528 30 20 CHED CC[C@@H](C)CC(=O)[C@H](C#N)c1ccc2ccccc2n1 791766239 XUOQYPLJGQEYMZ-TZMCWYRMSA-N 266.344 3.847 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@H](c1ccccc1)C(C)C 791204826 JUBDVBJBNGIJTD-IRXDYDNUSA-N 271.404 3.734 30 20 CHED Cn1cnc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)c1 798231039 DIUINYOLMQKUBA-HYXAFXHYSA-N 281.142 3.623 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(-n2ccnc2)cc1 793146007 NVDWRODLRPMDOR-CYBMUJFWSA-N 271.364 3.659 30 20 CHED N#Cc1nccnc1Sc1ccc2c3c(cccc13)CC2 1307192534 WNGGDCODQXMDPE-UHFFFAOYSA-N 289.363 3.751 30 20 CHED C=CCCCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 1318986374 KOTZJRAJXCXPAU-UHFFFAOYSA-N 283.375 3.784 30 20 CHED Cc1ccc([C@@H]2C[C@H]2Nc2nc(C#N)c(Cl)s2)cc1 1163571910 RKPOKBPWDDKSCA-WDEREUQCSA-N 289.791 3.945 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)CCC3)o1 1319112540 JTYXAPVDIUFSKT-CLFYSBASSA-N 252.313 3.973 30 20 CHED O=C(CC#Cc1ccccc1)N1CCCc2ccc(F)cc21 1320979644 DFUGPXDWCWCAHJ-UHFFFAOYSA-N 293.341 3.547 30 20 CHED CC(C)c1nnc(C#Cc2ccc(C(F)(F)F)cc2)o1 1327011685 BQRPNYBIPKBSPJ-UHFFFAOYSA-N 280.249 3.612 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)c1cccc(Cl)c1 1321297506 MKBUAOOADNJVEP-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCOCCON=Cc1ccc(-c2ccccc2)s1 1321366263 ICLLVFABKAQEMQ-UHFFFAOYSA-N 275.373 3.802 30 20 CHED COc1ccc(NN=C(C)c2ccccc2SC)nc1 1321349856 LPEVUTDFZANNQF-UHFFFAOYSA-N 287.388 3.648 30 20 CHED Cc1ccc(Cn2cc(C#N)c3ccccc3c2=O)c(C)c1 1189770386 SYRSLDKFFFRFAN-UHFFFAOYSA-N 288.350 3.538 30 20 CHED N#Cc1ccc(COc2cc(Cl)ccc2C#N)s1 1188980214 UMCDBRJFJJSVDM-UHFFFAOYSA-N 274.732 3.724 30 20 CHED CC(C)(C)ON=Cc1sc(Cl)nc1Cl 1336226346 APJIEVFEJDCYOT-UHFFFAOYSA-N 253.154 3.599 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(c2cccc(CC#N)n2)C1 1258172082 FEVDXFDOWCQDEP-PBHICJAKSA-N 277.371 3.735 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C#N)C1CCCC1 1331541786 XVDFZAMTUDSBKS-WMLDXEAASA-N 284.403 3.687 30 20 CHED C=C(CC(C)C)C(=O)N1CC[C@@H]1c1ccc(F)cc1 1263861144 RFGONCDNPOUSQS-OAHLLOKOSA-N 261.340 3.701 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1cnccc1C 1263723034 LVHPCNKGGPTWND-HUUCEWRRSA-N 287.407 3.591 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1c[nH]c2ccc(C)cc12 1346475018 ORFMHUQHWROKOR-UHFFFAOYSA-N 299.418 3.626 30 20 CHED C[C@H](CCC(=O)N[C@H](C#N)C1CCCC1)c1ccccc1 1354137185 FRRMJKGXFJVMRA-RHSMWYFYSA-N 284.403 3.769 30 20 CHED CC(C)[C@H]1CCCN(Cc2cccc(C#N)c2F)CC1 221984306 YKMBZTAPDMUBNO-AWEZNQCLSA-N 274.383 3.955 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1438134880 HLJSPKMNZYOWPK-OLZOCXBDSA-N 296.374 3.589 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)CCC1(C)CC1 1518639877 BZTUJJFRXBIWCP-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc(-c2nncs2)cc1 1518529290 FJKJLQTTYRUMII-NSHDSACASA-N 288.372 3.713 30 20 CHED N#Cc1ccc(NC[C@H]2CCSC2)cc1C(F)(F)F 224436632 DZYWJVFNMHPLCT-SECBINFHSA-N 286.322 3.742 30 20 CHED CCc1nc(C#N)cc(Oc2ccc(C)c(Cl)c2)n1 1458434898 NRMAONZQCCPKRI-UHFFFAOYSA-N 273.723 3.665 30 20 CHED CC(C)CC(CC(C)C)C(=O)NCc1cccc(C#N)c1 1526219252 CXQYPQMNFRIFBB-UHFFFAOYSA-N 286.419 3.883 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H](C2CCCCC2)C1 1461399419 WDJDEMJUHFWWSD-KRWDZBQOSA-N 296.414 3.909 30 20 CHED C[C@H](CC#N)N(C)C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 1537946610 KOWBGSZNVHPHCP-UTUOFQBUSA-N 290.329 3.506 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2ccsc2Cl)c1 1533991470 JWKCQBVJKCNXLD-UHFFFAOYSA-N 295.722 3.769 30 20 CHED N#Cc1cccc([C@@H](O)CN2CCC[C@@H]2C2CCCCC2)c1 1473112040 YGYHCNWVQMLXKC-MOPGFXCFSA-N 298.430 3.636 30 20 CHED N#Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)c(F)c1 1540116787 PSOJSHPIHKZBGF-UHFFFAOYSA-N 294.329 3.754 30 20 CHED CCCC(CCC)C(=O)Nc1ccc(F)c(C#N)c1 228448132 WTNJJSRBBNERFW-UHFFFAOYSA-N 262.328 3.852 30 20 CHED COc1ccc(CNc2cc(C#N)ccc2C)c(F)c1 228597580 ZPJXJQSFDNQXHF-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)cc1OCC 119647759 PTBIOOFDZOAKNU-UHFFFAOYSA-N 259.349 3.526 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1CCc1ccc(C#N)cc1 1560118937 HNPRHAJNPFDFPE-AWEZNQCLSA-N 294.373 3.859 30 20 CHED C[C@H]1CCCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 1560681677 RNFPVTUEPJLUAA-WMLDXEAASA-N 256.393 3.816 30 20 CHED CC[C@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@H](CC)O1 1646287408 OATUODDYYWZMGO-HOTGVXAUSA-N 292.810 3.601 30 20 CHED CC(C)C[C@H](C)CN1CCN([C@@H](C#N)c2ccccc2)CC1 1644837550 LOFMJXVZPQXEGH-HKUYNNGSSA-N 299.462 3.551 30 20 CHED C[C@@H](Nc1nc(Cl)cs1)c1cccc(C#N)c1 1640396195 DNRDMVLCSAVCCY-MRVPVSSYSA-N 263.753 3.841 30 20 CHED COc1ccc([C@@H](C)COc2ccccc2C#N)cc1 1640720194 AIYFRQHCNXGGSO-ZDUSSCGKSA-N 267.328 3.749 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)O)c(C)c1 1588770971 KSTJDVLKKUZVAG-WBVHZDCISA-N 287.403 3.918 30 20 CHED C[C@H]1CCN(CCc2ccc(C#N)cc2)CC12CCC2 1653023290 KBBCEUCQFFHNIS-HNNXBMFYSA-N 268.404 3.613 30 20 CHED CC1(C)COc2ccc(C(=O)O[C@H]3CCC[C@H](C#N)C3)cc21 1584703615 VLUMXLSZEHHAOM-JSGCOSHPSA-N 299.370 3.596 30 20 CHED C=CCN(Cc1ccc(C(=O)O)c(C)c1)c1ccccc1 1588829294 PBBDKABNLVHYHE-UHFFFAOYSA-N 281.355 3.886 30 20 CHED C=CCCCNc1cc(Cl)c(F)c(C(=O)O)c1 1588803988 SABBKURNZIVVKO-UHFFFAOYSA-N 257.692 3.555 30 20 CHED N#Cc1cc(NCc2csc(C3CC3)n2)ccc1F 134848521 WBOJFPBMXLIAOB-UHFFFAOYSA-N 273.336 3.643 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(C(=O)O)c(F)c1)C2=O 1777455929 NTSLRSMWPMKERQ-KPKJPENVSA-N 296.297 3.655 30 20 CHED O=C(O)c1ccc(NN=C[C@H]2C[C@@H]2c2ccccc2)cc1F 1776074802 VRGMERTWGLNWST-IUODEOHRSA-N 298.317 3.725 30 20 CHED Cc1c(NN=C2CCc3ccc(F)cc32)cccc1C(=O)O 1776087236 PYXUNOSFTXPNDO-UHFFFAOYSA-N 298.317 3.595 30 20 CHED C[C@@H]1/C(=C/c2cccc(CC(=O)O)c2)C(=O)c2ccccc21 1777407998 QLZXJLSBJGQNLB-NJPLLEPOSA-N 292.334 3.697 30 20 CHED CC[C@@H](c1ccccc1)[S@](=O)Cc1cccc(C#N)c1 161642087 OXOOXKVOUXZFPV-PXNSSMCTSA-N 283.396 3.958 30 20 CHED CC(C)Oc1c(Cl)cccc1NC(=O)N[C@H](C)CC#N 160513504 BLLIPLCLTHQBKQ-SNVBAGLBSA-N 295.770 3.551 30 20 CHED Cc1cc(C#N)ccc1COc1ccc([N+](=O)[O-])c(C)c1 165556884 JSHLZBXPBNMSRX-UHFFFAOYSA-N 282.299 3.662 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 6338612 XTVRDWGUBXSSJW-CMDGGOBGSA-N 289.237 3.769 30 20 CHED COc1cc(C)cc(CN[C@@H](C)c2ccc(C#N)cc2)c1 155018686 RVCXWWKSOCIDPI-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C[C@@H](Nc1ccc(F)cc1OCC#N)c1ccccc1 155441340 YXYXLBLKHBGSGO-GFCCVEGCSA-N 270.307 3.901 30 20 CHED CCCOc1cccc(NCc2ccc(C#N)cc2OC)c1 157908279 GXULOOAAKCZNGM-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CCn1cc(/C=C/C(=O)c2coc3ccccc23)cn1 159018367 XIOOUHHYBHVOCT-BQYQJAHWSA-N 266.300 3.545 30 20 CHED C=CCC[C@@H](N[C@H]1CCN2CCC[C@@H]2C1)c1ccccc1 159918829 DYTNBFTXJBUUQA-IPMKNSEASA-N 284.447 3.910 30 20 CHED COc1ccc(/C=N/C(=O)OC2CCCCC2)cc1 2511005 IUGKDEUTTDLHKT-LFIBNONCSA-N 261.321 3.583 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 127610538 DGFXYCCTAQJXOG-QMTHXVAHSA-N 296.823 3.629 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccc(F)cc1C#N 126510691 LHECQWRLDKHSOG-LLVKDONJSA-N 262.328 3.852 30 20 CHED C=C(CC)CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C 834904036 USZNWFBQXARPGK-HUUCEWRRSA-N 296.455 3.578 30 20 CHED COc1ccccc1COc1ccc(C#N)cc1Cl 28141524 ZNQIJEPEMSRHOU-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)CCCC#N 291115924 KWJQOZMTAVKAHE-AWEZNQCLSA-N 258.365 3.508 30 20 CHED CN(CCS[C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 295126327 BRGPFSGYGKMAJM-CVEARBPZSA-N 274.433 3.544 30 20 CHED C[C@H](NC1CC(C(F)(F)F)C1)c1cccc(C#N)c1 348757369 UKHXXGACMNMUFU-ALXWSUNGSA-N 268.282 3.550 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1F 307967343 SNSZOHWUWMZQMG-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC[C@@H]1CN(Cc2ccc(C#N)cc2Cl)[C@H](CC)CO1 403895015 SMBYNBKDCHSLDK-HUUCEWRRSA-N 292.810 3.601 30 20 CHED Cc1cc(C)c(C#N)c(N2CCCC(C)(C)CC2)n1 87658080 VPJITXOXDJMXBG-UHFFFAOYSA-N 257.381 3.587 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1Cl)C(C)(C)C 702276949 PDAKHIUWGZSDNP-GFCCVEGCSA-N 264.756 3.509 30 20 CHED C[C@H](CC(C)(C)C#N)NCC(C)(C)c1ccccc1 695814906 HNNMMERJCIOVQI-CQSZACIVSA-N 258.409 3.882 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)[C@H]2CCC[C@H]21 394462628 WEPFBHMTCQNSOV-CABCVRRESA-N 272.367 3.708 30 20 CHED N#Cc1ccnc(N2CCCC[C@H]2c2ccco2)c1Cl 342408617 AISAFNDJTNTULE-LBPRGKRZSA-N 287.750 3.931 30 20 CHED CCOc1ccccc1CN(C)Cc1ccc(C#N)cc1F 52164097 PWYNTWSYCIEKJN-UHFFFAOYSA-N 298.361 3.728 30 20 CHED C=CCCOC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 103650799 OLKKAOHWONJXEW-UHFFFAOYSA-N 299.374 3.623 30 20 CHED CCCCCCCCN1CCCCC[C@@H]1C(=O)O 114347698 IRDSCISPXXLUQN-CQSZACIVSA-N 255.402 3.676 30 20 CHED CCCCCC(=O)N[C@H](C#N)c1ccccc1Cl 172031815 VBVXNJIMTSZQGF-CYBMUJFWSA-N 264.756 3.601 30 20 CHED N#Cc1c(F)cccc1NC1CCN(c2ccccc2)CC1 53579122 CQIDULPKEYSFNX-UHFFFAOYSA-N 295.361 3.778 30 20 CHED Cc1cccc(OCCC(=O)Nc2ccc(C#N)cc2)c1C 20261471 TYXMLYHHIZBEGQ-UHFFFAOYSA-N 294.354 3.583 30 20 CHED C[C@@H]1C[C@@H](C)CN(c2ccc(Br)cc2C#N)C1 227634944 BHCUPGPJYJJTQJ-GHMZBOCLSA-N 293.208 3.803 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc2ccccc2c1 55120283 IKPDTJXBXXAXLC-UHFFFAOYSA-N 279.383 3.973 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 116860615 NHGZWTSZGZHJJJ-YPMHNXCESA-N 285.309 3.803 30 20 CHED N#Cc1cc(F)c(NCCCOC2CCCCC2)c(F)c1 109808978 MKJKEFABBKTDHO-UHFFFAOYSA-N 294.345 3.988 30 20 CHED CCOc1ccc([C@H]2CCCN2CCCCC#N)cc1 57626556 ZOKXPGVDQYVFFA-QGZVFWFLSA-N 272.392 3.916 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@H]1c1cccs1 60464751 NIWWVBAYZDYLBX-HNNXBMFYSA-N 298.411 3.836 30 20 CHED C[C@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 301698704 CKLMHBPKOYOBFL-JTQLQIEISA-N 268.282 3.813 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)Cc2ccccc2)cc1 29150282 VHDKUMOWFZXUAP-UHFFFAOYSA-N 278.355 3.669 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3ccsc3)cnc12 172692040 UGQZRXGYBVKSEM-SNAWJCMRSA-N 268.341 3.600 30 20 CHED COc1cc(/C=C/C(=O)c2occc2C)c2c(c1)C[C@@H](C)O2 119046638 ADPUWZKTHXUILT-ZYOFXKKJSA-N 298.338 3.816 30 20 CHED CC[C@@]1(C)CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1 302615694 CIKBPOIFPWTRMS-AWEZNQCLSA-N 298.308 3.582 30 20 CHED C[C@@H]1CCCCCN1c1ccc(C(F)(F)F)c(C#N)n1 409713934 DRSRVBALDQPMDH-SNVBAGLBSA-N 283.297 3.741 30 20 CHED C[C@H](CC#N)NC(=O)C1(C2CCCCC2)CCCCC1 408286944 PDULIOJSKKYJJH-CQSZACIVSA-N 276.424 3.936 30 20 CHED CCOc1cccc(C/N=C(/N)Nc2cc(C)cc(C)c2)c1 303888865 LOFSQXGIASSPIL-UHFFFAOYSA-N 297.402 3.629 30 20 CHED N#Cc1c(F)cccc1NCc1c(F)c(F)cc(F)c1F 301551307 GAVNKIOKAGXAJV-UHFFFAOYSA-N 298.214 3.866 30 20 CHED CC1(C)CCC(C(=O)N(CC#N)c2ccccc2)CC1 179041684 FOANTFPVWGKCNU-UHFFFAOYSA-N 270.376 3.760 30 20 CHED CC(C)c1cccc(-c2ccc(C(=O)NC[C@@H](C)C#N)o2)c1 180616136 HMIIEHRNPNSEIF-ZDUSSCGKSA-N 296.370 3.959 30 20 CHED CCCCS[C@H](C)C(=O)Nc1cccc(C#N)c1C 178626106 XEJNANRUBWYBQN-GFCCVEGCSA-N 276.405 3.727 30 20 CHED C=CCC[C@H](C)NCc1ccc(C(=O)NCCCC)cc1 185176983 OBGBSUSVERSXFX-HNNXBMFYSA-N 288.435 3.661 30 20 CHED Cc1ccc(NC(=O)CSc2ccccc2C#N)cc1C 172679554 WMXCSHSJEGDQII-UHFFFAOYSA-N 296.395 3.906 30 20 CHED Cc1c([C@H](C)NC(=O)C2(C#N)CCC2)oc2ccccc12 118966692 BMQYWLVHEMCELB-LBPRGKRZSA-N 282.343 3.612 30 20 CHED COc1ccccc1Sc1ccc(Cl)c(C#N)n1 301498275 CFHPMSFOBMFBFU-UHFFFAOYSA-N 276.748 3.766 30 20 CHED COc1ccc(NC(=O)/C=C/c2ccccc2C#N)c(C)c1 171306882 XZYNARBXKCTRMF-JXMROGBWSA-N 292.338 3.527 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCOc3cc(F)ccc32)c1 181034577 RURQAGAALFFUQA-QGZVFWFLSA-N 296.345 3.701 30 20 CHED N#CCCCNC1(c2cccc(Br)c2)CCC1 170779454 KCDUJTWFNDHDAD-UHFFFAOYSA-N 293.208 3.722 30 20 CHED CC[C@H](C)N(Cc1ccccc1)Cc1ccc(C#N)o1 179695215 YUSJZKAZMHNDPE-AWEZNQCLSA-N 268.360 3.952 30 20 CHED C[C@@H](CCC(=O)NC1(C#N)CCCCC1)c1ccccc1 178930965 DUWBZESARJGMOU-HNNXBMFYSA-N 284.403 3.913 30 20 CHED CC(C)(CNCc1cc(C#N)cs1)c1ccc(F)cc1 177695869 JQPYKUOTPIBGJA-UHFFFAOYSA-N 288.391 3.826 30 20 CHED Cc1ccc(-c2ccncc2)cc1NC(=O)C(C)(C)C#N 171052960 HXJHOXBVVBQSAY-UHFFFAOYSA-N 279.343 3.545 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)CCc2cc(F)ccc21 121292201 FEKWWSKUGUFUGJ-GHXNOFRVSA-N 286.277 3.883 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(C)C1(C#N)CCC1 67911541 RULKEMDZGAFGCY-CQSZACIVSA-N 264.413 3.888 30 20 CHED CC[C@H](C(=O)N(C)c1ccccc1C#N)c1ccccc1 128660560 RWQPEVUBODDKBD-INIZCTEOSA-N 278.355 3.715 30 20 CHED CC[C@H](C)Oc1cc(CN(CC)CCC#N)ccc1OC 127602312 NLJKHTGOUAKPAW-AWEZNQCLSA-N 290.407 3.608 30 20 CHED Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 75950973 AAPKUHDHCUVXJS-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED C=CCN(Cc1ccc(C)nc1)Cc1ccccc1F 122409939 MAFUTIZMXFFDDJ-UHFFFAOYSA-N 270.351 3.717 30 20 CHED Cc1ccc(CNc2ccccc2O[C@H](C)C#N)s1 181130159 KNKCOCCOHHSBFI-LLVKDONJSA-N 272.373 3.960 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)NC[C@@H](C)C#N 182659355 MWQPTBNZIDPQLV-BBRMVZONSA-N 287.407 3.541 30 20 CHED COC(=O)C[C@H](C)SCCC1(C#N)CCCCC1 412989738 CWDHPUBLNRTVAV-LBPRGKRZSA-N 269.410 3.535 30 20 CHED C=CCCC[C@H](C)NC(=O)C(C)(C)c1ccc(OC)cc1 182580820 AOZNVTADANTJNN-AWEZNQCLSA-N 289.419 3.834 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCC 70739780 LVIKHQWMYOKOKX-UHFFFAOYSA-N 286.828 3.899 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccccc2OC(F)F)C1 185735849 ISYAYHAGKXJBMD-QWRGUYRKSA-N 266.291 3.782 30 20 CHED CCC[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 183042288 YKZQRBDZEROFNT-QGZVFWFLSA-N 284.403 3.672 30 20 CHED CC(C)(CC#N)COC(=O)c1cncc(-c2ccccc2)c1 184781077 IJLYHPZDANRRFA-UHFFFAOYSA-N 294.354 3.845 30 20 CHED CS[C@@H]1CC[C@@H](Nc2c(Cl)cccc2C#N)C1 78477478 MKEARTJXUZOMBM-GHMZBOCLSA-N 266.797 3.908 30 20 CHED N#CC1(CCN2CCO[C@@H](c3ccccc3)C2)CCCCC1 411167582 MGGTWMNREWOPTL-GOSISDBHSA-N 298.430 3.924 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)C(F)(F)F 410968442 NWJNHQPLMOCEKH-SSDOTTSWSA-N 290.672 3.543 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CCC1 188818652 XLQKJJYRDCMEJM-UHFFFAOYSA-N 286.375 3.638 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1C 489464031 NYGCRRPPACSKIO-AWEZNQCLSA-N 292.810 3.627 30 20 CHED O=C1/C(=C/c2cccc(O)c2)CCOc2cc(F)ccc21 180459715 BGOOVEDECBRPRJ-XYOKQWHBSA-N 284.286 3.580 30 20 CHED Cc1nc2cc(Nc3ncc(C#N)cc3Cl)ccc2n1C 78674629 YMBNUDNLXNUSLS-UHFFFAOYSA-N 297.749 3.545 30 20 CHED C=CCOc1cccc(NC(=O)Nc2ccc(O)c(C)c2)c1 189828876 CSCLHGLOIVGAJV-UHFFFAOYSA-N 298.342 3.909 30 20 CHED C=CC(C)(C)C(=O)N(C)c1ccc(Cl)cc1F 410813847 QVNPDYUULZRNCV-UHFFFAOYSA-N 255.720 3.654 30 20 CHED CC(C)c1ncc(C(=O)N[C@H](C)c2ccc(C#N)cc2)s1 125446203 ZBJNIMXOCBZIMM-LLVKDONJSA-N 299.399 3.629 30 20 CHED C=C(C)CN(C)[C@H](C)c1nc(-c2ccccc2C)no1 181286187 PCKPKRLXRUITRB-CYBMUJFWSA-N 271.364 3.614 30 20 CHED C=C(C)[C@H](NC(=O)[C@H](C)C(C)C)c1ccc(F)c(F)c1 186061111 MNNOYTQCCHPFKK-ABAIWWIYSA-N 281.346 3.990 30 20 CHED C=CCC1(C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)CCC1 188460784 AQBDFCAODPZKOF-KGLIPLIRSA-N 281.465 3.865 30 20 CHED CC#CCCCC(=O)Nc1scnc1-c1ccccc1 185566061 XZNGUHZNLACLDR-UHFFFAOYSA-N 284.384 3.942 30 20 CHED Cc1c(C(=O)/C=C/c2cc(F)ccc2F)cnn1C(C)C 188892969 FGBBGOFDQXSSKK-QPJJXVBHSA-N 290.313 3.947 30 20 CHED C=CCOCCCC(=O)N[C@H](c1ccccc1)C(C)(C)C 79634078 MPMJJFARXGPWMK-QGZVFWFLSA-N 289.419 3.873 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1C 182598488 KHNHDHBCFPERTR-AWEZNQCLSA-N 297.402 3.655 30 20 CHED Cc1ccc(CCC2CCN(C(=O)C(C)(C)C#N)CC2)cc1 42127971 SQSJHVSKZKFTGY-UHFFFAOYSA-N 298.430 3.716 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc2ccccc2c1O 320331883 ZGEVSQQFBSXULG-HIFRSBDPSA-N 285.387 3.523 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl 410588542 JSIXMMCOJUQNDL-RYUDHWBXSA-N 276.767 3.976 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(-c2ncco2)ccc1C 134060347 KXKMOAWPDMMBGS-UHFFFAOYSA-N 297.358 3.856 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1ccc(C(C)(C)C)cc1 410118331 HMOOWTNFLJBSCB-INIZCTEOSA-N 273.420 3.998 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)C(C)C)n1 80460281 NWMLTVICRFYMBS-MNOVXSKESA-N 264.394 3.735 30 20 CHED C=CCN(CCC#N)[C@@H](C)c1ccccc1Br 428861396 PZGNFAJSHXFATA-LBPRGKRZSA-N 293.208 3.912 30 20 CHED N#CCOc1cccc(NC(=O)NCCC2=CCCCC2)c1 48516910 SILQBCGSJJTMBH-UHFFFAOYSA-N 299.374 3.601 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(CSCC)ccn1 424743087 HGYKHBAVXWGUAG-UHFFFAOYSA-N 278.421 3.876 30 20 CHED CC[C@H](C(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1 45246308 MRWFPPBWISSQLZ-SFHVURJKSA-N 292.382 3.710 30 20 CHED Cc1cccc([C@@H]2CCN(c3cc(C)ncc3C#N)C2)c1 425247792 PBRXUQIKIKOTHV-MRXNPFEDSA-N 277.371 3.564 30 20 CHED Cc1cc([C@@H](C)Nc2c(C#N)cccc2[N+](=O)[O-])c(C)o1 425214595 JVFFDZUVTVPUBT-SNVBAGLBSA-N 285.303 3.849 30 20 CHED CCC1CCC(/N=C(/O)[C@H]2CCC(=O)c3cccn32)CC1 329858861 OIBBTJVOEWTQJN-SSDMNJCBSA-N 288.391 3.931 30 20 CHED C[C@H](CC#N)NC(=O)c1cc2c(s1)-c1ccccc1CC2 194715368 SGDZOCHHDLWQBO-LLVKDONJSA-N 296.395 3.546 30 20 CHED C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 513182158 FIQZLQRYYPHLDE-LLVKDONJSA-N 299.305 3.821 30 20 CHED C[C@](/N=C(/O)[C@@H]1CC12CCCC2)(C(=N)O)c1ccccc1 329974501 ZDYWPMGHUMETST-XJKSGUPXSA-N 286.375 3.974 30 20 CHED C[C@@H](Cc1coc2ccccc12)N[C@@H]1CC[C@H](C#N)C1 424330799 REEPXVZJWQTRQI-KCQAQPDRSA-N 268.360 3.646 30 20 CHED N#Cc1cc(F)cc(NCc2cccc(Cl)c2)c1 227616246 FJSCAMHWHXSKEL-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CCC[C@H](NC(=O)c1ccnn1C(C)C)c1ccccc1 133959568 OPTLHGBAOSUEIH-INIZCTEOSA-N 297.402 3.901 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1cccc(F)c1 421870522 FLGGVYRKNPMJPK-HNNXBMFYSA-N 274.364 4.000 30 20 CHED CCOc1cccc([C@H](C)NCc2ccc(C#N)c(F)c2)c1 192153087 LXNNJZZEJCRBOT-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED N#Cc1ccc(NC(=O)N2Cc3cccc(Cl)c3C2)cc1 335961407 XAQCSRURLLAHTB-UHFFFAOYSA-N 297.745 3.759 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC#N 425982645 XSGBQRCPRHWNRP-LBPRGKRZSA-N 271.191 3.818 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 334726351 UBSZWWAGMLZYIJ-JDNHERCYSA-N 297.383 3.662 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 424717526 WMJFSVGKIHABLB-GOEBONIOSA-N 271.404 3.993 30 20 CHED Cc1cnc([C@H](N[C@H]2CCC[C@H](C#N)C2)C2CC2)s1 192903004 OMLRXXKAAMMRJK-FPMFFAJLSA-N 275.421 3.575 30 20 CHED C=CCN(CCC#N)Cc1cc(Cl)cc(Cl)c1 428855773 JTPFPCXKVRIFHY-UHFFFAOYSA-N 269.175 3.895 30 20 CHED CC(C)(CNCc1ccc(C#N)c(F)c1)Oc1ccccc1 421373137 ZIIURKGRJIDETQ-UHFFFAOYSA-N 298.361 3.645 30 20 CHED C=CCN(CCC#N)Cc1csc(-c2ccccc2)n1 428864617 UFDCLSSRSVQNEN-UHFFFAOYSA-N 283.400 3.712 30 20 CHED C=C[C@H](C)NCc1ccc(OC)c(OCc2ccccc2)c1 237244272 UFGCNFVYKYAEHK-HNNXBMFYSA-N 297.398 3.938 30 20 CHED N#Cc1cccc(N[C@@H](c2ccccc2)c2cccnc2)n1 339221601 GGFAKDNNMFGQPH-SFHVURJKSA-N 286.338 3.550 30 20 CHED CCN(Cc1ccc(F)cc1C(F)(F)F)C[C@H](C)C#N 91984301 OHVXPBPQOFEQHN-SNVBAGLBSA-N 288.288 3.826 30 20 CHED C[C@@H]1CCC[C@@H](C)C1N[C@@H](C(=N)O)c1ccc(C#N)cc1 331358635 VLEWTHWOFZVEAZ-XHBSWPGZSA-N 285.391 3.549 30 20 CHED CC(C)CC(CC(C)C)N/C(O)=N/[C@H]1CCOC(C)(C)C1 330420175 FIMFIFKPWLJSPB-AWEZNQCLSA-N 298.471 3.908 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N(C)C2CCCC2)c1C 331149512 UAIDUPSSVKBTPZ-LLVKDONJSA-N 278.400 3.582 30 20 CHED CC(=O)Nc1ccc(N[C@H]2CCc3ccc(C#N)cc32)cc1 334988741 PBRXKYGEJLYSPZ-SFHVURJKSA-N 291.354 3.616 30 20 CHED CCN(Cc1cnc(C2CCCC2)s1)C[C@H](C)C#N 91982785 XZHFSGMQLVRWMT-GFCCVEGCSA-N 277.437 3.782 30 20 CHED C=C(C)COCCN[C@H](CCC)c1cccc([N+](=O)[O-])c1 90450702 KENRDEHYBQRYAX-MRXNPFEDSA-N 292.379 3.618 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc(Cl)ccc1SCC 91968055 YLEOVSMWNPRXDD-LLVKDONJSA-N 296.823 3.874 30 20 CHED COc1ccccc1CSc1ccccc1C#N 439700547 SNBZLCXWMPUIBE-UHFFFAOYSA-N 255.342 3.859 30 20 CHED N#Cc1cccc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)n1 339223038 JXTLIUBUUQIPBZ-ZWNOBZJWSA-N 287.725 3.714 30 20 CHED Cc1ccnc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1C#N 435575181 QLVVETHDMMPHMJ-DZGCQCFKSA-N 283.762 3.883 30 20 CHED CS[C@H]1CCC[C@@H](Nc2nccc(C#N)c2Cl)C1 235182825 ILXQVRWNKGSCFF-MNOVXSKESA-N 281.812 3.693 30 20 CHED Cc1noc(C)c1CSc1nc2c(cc1C#N)CCCC2 96994913 RTGHJBGZOQMYJA-UHFFFAOYSA-N 299.399 3.729 30 20 CHED C=C(C)COCCN[C@H]1C[C@H](C)Sc2sccc21 90451339 DBKOFFAVOWKDNC-AAEUAGOBSA-N 283.462 3.856 30 20 CHED COCc1ccc(NC(=O)C(C)(C)CC(C)C)cc1C#N 529817466 WRYPHSQUVXBKPF-UHFFFAOYSA-N 288.391 3.715 30 20 CHED Cc1ccnc(NC[C@H](C)Sc2ccccc2)c1C#N 343446923 YPQJSPPYBJDRFE-ZDUSSCGKSA-N 283.400 3.854 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2NCC2(CC#N)CC2)cc1 430754894 OTCZXAVNWXYSCN-DLBZAZTESA-N 268.404 3.915 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CCC2CCC2)cc1 345800115 LRHUSGLDNWBKHY-INIZCTEOSA-N 270.376 3.510 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCN2C2CC2)cc1Cl 433805393 MRJIMJCAYHHWCH-OAHLLOKOSA-N 289.810 3.640 30 20 CHED Cc1cc([C@@H](C#N)C(=O)c2ccc(C)c(Cl)c2)nc(C)n1 348559803 YWJWVQYECIEXFC-CYBMUJFWSA-N 299.761 3.545 30 20 CHED C=CCNC(=O)[C@@H](C)SCCc1ccc2ccccc2c1 437420924 TZBNHCQNHMGNIK-CQSZACIVSA-N 299.439 3.806 30 20 CHED CCC[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 345481213 IUDPIGSZMJHYBS-AWEZNQCLSA-N 299.418 3.870 30 20 CHED CC(C)CC1(CNC(=O)c2ccc(F)c(C#N)c2)CCC1 341544822 IYUJZRUXMXOMLR-UHFFFAOYSA-N 288.366 3.644 30 20 CHED C=C(C)CN(Cc1ccnc(C)c1)Cc1cnn(C(C)C)c1 527539071 KCQKJGHQOMHKJS-UHFFFAOYSA-N 298.434 3.746 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1)c1ccccc1 344367712 NAUYMXAJOZMQMI-UAGQMJEPSA-N 299.414 3.815 30 20 CHED N#Cc1cccc(NC(=O)C2CC(c3cccc(F)c3)C2)c1 523353481 IDMVJHUFZGEONT-UHFFFAOYSA-N 294.329 3.830 30 20 CHED O=C1/C(=C\c2cccnc2Cl)Cc2ccccc21 255546146 OUQQWHNVCNSIOB-XFXZXTDPSA-N 255.704 3.557 30 20 CHED N#C[C@@H](Sc1nc2cc(Cl)ccc2o1)C1CC1 601070390 QXYAPYUGBSUPGF-LLVKDONJSA-N 264.737 3.875 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2cc(F)c(F)cc2F)cn1 255601789 AXZWZTLUVZUNOD-ARJAWSKDSA-N 294.276 3.777 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)O[C@@H](C#N)C(C)C 255336617 DHEJJNQFVIFQQT-MSKHEQNASA-N 277.751 3.835 30 20 CHED COCCN(Cc1cccs1)CC(C)(C)CCC#N 349525709 WMRSWQQHEJKPIP-UHFFFAOYSA-N 280.437 3.526 30 20 CHED C#CC[C@H](OC(=O)/C=C\c1cccc(F)c1)c1ccccn1 255563171 ASAVKGRVSNSJNU-MQNTZWLQSA-N 295.313 3.542 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1cccc(F)c1F 602583430 WKNDLSZRJAJVOF-GHMZBOCLSA-N 252.308 3.555 30 20 CHED CCCCN(C(=O)CCCC#N)C1CCCCC1 341648272 WQTVTOMBOZDECC-UHFFFAOYSA-N 250.386 3.642 30 20 CHED N#CCC1CCN(Cc2csc(-c3ccco3)n2)CC1 541949375 VFODNKWOGLKISH-UHFFFAOYSA-N 287.388 3.529 30 20 CHED CCc1ccc(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1 447916145 OKWPLXZSEXKUFG-MOPGFXCFSA-N 298.430 3.676 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(Br)o2)no1 526947590 NOYPEPOEBWRKAJ-GFCCVEGCSA-N 297.152 3.946 30 20 CHED CC(C)c1ncc(CN(C)[C@H](C)c2ccc(C#N)cc2)cn1 440482208 OMIQKSQMAPEURX-CQSZACIVSA-N 294.402 3.665 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CC=C(c2ccc(F)cc2)CC1 449517465 FXSXANDQYYMAEV-KSZLIROESA-N 287.378 3.695 30 20 CHED C=C(C)CCN[C@H](C)CC(=O)Nc1cccc(C)c1C 449477836 QBBAHFJCDWQOKE-CQSZACIVSA-N 274.408 3.576 30 20 CHED C=CCCC[C@@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 536995301 BMAUMZFJBIKRKA-CYBMUJFWSA-N 274.364 3.698 30 20 CHED C=C(C)CCc1noc(-c2ccn(-c3ccc(F)cc3)n2)n1 351620862 SJFWRRCABBYUIQ-UHFFFAOYSA-N 298.321 3.570 30 20 CHED C[C@H](CCC#N)CN1CCC(OCC2CCCCC2)CC1 602456359 XYQIOBMYEHZPSL-MRXNPFEDSA-N 292.467 3.988 30 20 CHED C=CCOCCCSCC(=O)Nc1cc(C)ccc1C 359123057 RFNJURUTKBLXSS-UHFFFAOYSA-N 293.432 3.568 30 20 CHED N#Cc1ccc2ncc(CNc3ccc4ccoc4c3)n2c1 443015028 QYPLOLQTZIHQJU-UHFFFAOYSA-N 288.310 3.564 30 20 CHED N#CC1(CN(c2ccccc2)C2Cc3ccccc3C2)CC1 538353394 FPLOXDBCLFGMGW-UHFFFAOYSA-N 288.394 3.964 30 20 CHED C=CC(C)(C)C(=O)NCCc1cccc(Cl)c1Cl 448726814 UJFUVGZDNXDYIA-UHFFFAOYSA-N 286.202 3.864 30 20 CHED N#Cc1ccncc1NCCCc1cccc(Cl)c1 354573347 FRSRBUMBANAAMF-UHFFFAOYSA-N 271.751 3.651 30 20 CHED C[C@@H](Cc1ccccc1F)N[C@H]1CCc2cc(C#N)ccc21 618806944 SMJPWDIUCGNFSD-DJJJIMSYSA-N 294.373 3.905 30 20 CHED C=C(C)CCN(Cc1nc(O)c2ccccc2n1)C(C)C 351894022 WPKANLQKBKDWKI-UHFFFAOYSA-N 285.391 3.512 30 20 CHED CCc1cccnc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618808122 ZEMBFOVDWSLCQX-SCLBCKFNSA-N 291.398 3.854 30 20 CHED C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C(C)(C)C1 269740773 XAERFELQPFZNNA-HOCLYGCPSA-N 299.418 3.861 30 20 CHED CCC1(CN[C@H]2CCc3ccc(C#N)cc32)CCC1 353265301 MLVVAZOUZSFGQN-INIZCTEOSA-N 254.377 3.715 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cscn1 619755363 FVDWJNKYQLPXEE-SECBINFHSA-N 277.780 3.519 30 20 CHED C=CCCCCNC(=O)N[C@H](c1ncc(C)s1)C1CC1 351678344 IPQCRXNDTHHPMQ-ZDUSSCGKSA-N 293.436 3.558 30 20 CHED C=CCOc1cccc(NC(=O)CCCC(F)(F)F)c1 539941641 SHTVKZMEVFZIER-UHFFFAOYSA-N 287.281 3.923 30 20 CHED C=CCC1(C(=O)NCCc2ccc(C)c(C)c2)CCC1 618164315 NJLKPGSJPJBNCY-UHFFFAOYSA-N 271.404 3.709 30 20 CHED N#Cc1cnc2c(F)ccc(F)c2c1N1C[C@H]2CCC[C@H]2C1 610685368 CGDNCBLJEIBUEQ-PHIMTYICSA-N 299.324 3.621 30 20 CHED C=CCC[C@H](NC[C@@H]1CCOC(C)(C)C1)C1CC1 453431859 RTZFYOQPGUNKME-HIFRSBDPSA-N 251.414 3.526 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)OCC 534413635 NJNYMAATMMBKDX-BBRMVZONSA-N 293.382 3.716 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(C#N)c1 361007350 FCGFKPLFPVBBMG-SWLSCSKDSA-N 270.376 3.503 30 20 CHED C[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 539748323 IAXCRLCAQOKLBS-GWCFXTLKSA-N 276.767 3.520 30 20 CHED C=CC(C)(C)CNC(=O)CSc1ccc(OCC)cc1 452775403 HTOYDWBLYOGJMP-UHFFFAOYSA-N 293.432 3.506 30 20 CHED CCN(CC(C)C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 454615306 IYCRVOGBGFBDDL-UHFFFAOYSA-N 286.419 3.631 30 20 CHED Cc1oc(C)c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1C 610360275 UPRDNDLLAZIXTG-NSHDSACASA-N 282.343 3.568 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(CC#N)cc1)C2 534653299 JJOGXPGZIWZAJE-BXWFABGCSA-N 296.414 3.697 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCCCC1(F)F)CC2 453244262 HASQSUKXPLRHBR-HOCLYGCPSA-N 290.357 3.961 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 450616557 BLKHZUJDRVEAFV-BRWVUGGUSA-N 284.403 3.769 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C2CC2)c(C)c1 360824344 YVEUPGYALWGWMD-GFCCVEGCSA-N 258.365 3.959 30 20 CHED CC(C)CC1(CNC(=O)Nc2ccc(F)cc2C#N)CC1 362664280 HWZZNGKHIOKOPP-UHFFFAOYSA-N 289.354 3.645 30 20 CHED CC[C@H](NC[C@@H](C)c1nccs1)c1ccc(C#N)cc1 278890185 YOHHQXYPLNLEDW-DOMZBBRYSA-N 285.416 3.859 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C 456323327 HGVRUZHNCRXCRI-AEFFLSMTSA-N 295.467 3.888 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(F)c2F)ccc1Cl 542532081 LOXINWBFFLOJGB-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](C)C2(CCC2)C1 369846414 MTOBKUPXQNCOQH-AWEZNQCLSA-N 261.409 3.794 30 20 CHED C=CCCc1noc([C@@H]2CCCc3ccccc32)n1 453248271 PLXROXGUMFYZLJ-CQSZACIVSA-N 254.333 3.656 30 20 CHED CCc1ccc([C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1 276591981 JTQZRCVOZAOSBW-KUHUBIRLSA-N 294.398 3.505 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 546869489 VFZGWSRZCQRBGN-ZDUSSCGKSA-N 257.377 3.709 30 20 CHED C=C1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 271156673 HWADJAOZVOKPTL-UHFFFAOYSA-N 289.329 3.507 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@H](C)Cc1cccs1 541250044 WDDCUNQFGPMSHD-CHWSQXEVSA-N 280.437 3.581 30 20 CHED COc1ccccc1C(C)(C)NCc1ccc(CC#N)cc1 544071088 MXBIRQYADIAPJQ-UHFFFAOYSA-N 294.398 3.786 30 20 CHED C=CCN(C(=O)Nc1ccc2oc(C3CC3)nc2c1)C1CC1 271343654 HTWIOXKHBAUZSQ-UHFFFAOYSA-N 297.358 3.888 30 20 CHED Cn1cccc1[C@@H]1CCCN1CCCCC(C)(C)C#N 277732947 OHHZVEWRNDQDHP-INIZCTEOSA-N 273.424 3.882 30 20 CHED C=CCN(C)C(=O)[C@H](CCC)c1cccc(Cl)c1 626518405 LAMCETFHIXEHLO-CQSZACIVSA-N 265.784 3.868 30 20 CHED CC(C)CCCS[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C 540716432 QGDHYCWLKPMXMR-ZFWWWQNUSA-N 284.469 3.599 30 20 CHED C=C(CC)CNC(=O)N[C@@H](CCc1ccccc1)C(F)F 624178528 PDHNTPZLSJLVKQ-AWEZNQCLSA-N 296.361 3.518 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1cccnc1 371928232 VCUGWQDJPPYAHH-MRXNPFEDSA-N 270.376 3.514 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2c(Cl)cccc2n1 286104540 RODDSSMNUZVDID-UHFFFAOYSA-N 287.750 3.767 30 20 CHED CC[C@H](C)[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 286153284 PNXARJVDQWUGDY-LSDHHAIUSA-N 285.435 3.551 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(CC)CCC 460963828 PCMNGRLWXIUODQ-CYBMUJFWSA-N 264.417 3.604 30 20 CHED C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H]1C 556821400 TUYUQUAETXZXJN-KAEUXLIGSA-N 296.414 3.603 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccc(C)c1C 464754658 GZCUXJWYBXTRHN-CZUORRHYSA-N 272.392 3.724 30 20 CHED C[C@H]1CC(CCNc2c(F)cc(C#N)cc2F)C[C@H](C)O1 558785391 PTNRZENMIPXVMX-QWRGUYRKSA-N 294.345 3.842 30 20 CHED C=CCCCCCCCCNC(=O)CCCC#N 293425954 UIQIJWLRLVKJRK-UHFFFAOYSA-N 250.386 3.713 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(Cl)ccc1SC 806231827 UEEDRDPGJFOAJN-SNVBAGLBSA-N 282.796 3.595 30 20 CHED C=C[C@H](C)NC(=O)N1CCC(c2ccc(Cl)cc2)CC1 477193574 QMHZIBNZIZUBLP-LBPRGKRZSA-N 292.810 3.804 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2cnc(C)s2)C1 633470718 OCCVOALBBUYFNU-DGCLKSJQSA-N 293.436 3.510 30 20 CHED C=CCCN(C)C(=O)NC1CCC(CC)(CC)CC1 473878495 PTWDXUOWOJPUTR-UHFFFAOYSA-N 266.429 3.953 30 20 CHED C[C@@H]1Sc2ccccc2N(Cc2ccc(C#N)cn2)[C@@H]1C 563349234 FOPJIWXFAXCENW-OLZOCXBDSA-N 295.411 3.843 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1C)C1CC1 479533156 RNEPYHYGNGFMHR-UHFFFAOYSA-N 257.377 3.842 30 20 CHED C=CCN(C(=O)[C@@H]1CC12CCCC2)c1ccccc1 474249808 FNUHFCLUGWJAPW-HNNXBMFYSA-N 255.361 3.786 30 20 CHED Cc1cc(CN(C)Cc2ccc(C#N)cc2)cs1 294499107 AWVKQTSAPMIPDZ-UHFFFAOYSA-N 256.374 3.560 30 20 CHED C[C@H](OC(=O)C1(C(F)(F)F)CCC1)c1ccc(C#N)cc1 297392773 MWRWSFQZNIWELH-JTQLQIEISA-N 297.276 3.895 30 20 CHED C[C@H]1CC[C@H](OC(=O)c2cc(C#N)ccc2Cl)C1 808709449 BGPMRYGXTUQBLD-ONGXEEELSA-N 263.724 3.557 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@]1(C#N)C[C@H]1C)CCC2 568951048 XXGLTVIXLXVTRQ-FMEYXAORSA-N 296.414 3.853 30 20 CHED C#Cc1ccc(CNCc2ccc3ncccc3c2)cc1 809657872 VMRJSKYKMBOIAB-UHFFFAOYSA-N 272.351 3.506 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1c[nH]c2cc(C)ccc12 473185664 URVYJACWQHVWQK-GOSISDBHSA-N 284.403 3.737 30 20 CHED Cc1cc(F)ccc1OC(=O)c1cc(C#N)ccc1Cl 802866503 KQTAMDTYNDZNBX-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C=C(C)COC(=O)c1sc(-c2ccccc2)nc1C 806013504 QSMUIDICQMUAHY-UHFFFAOYSA-N 273.357 3.851 30 20 CHED COc1cccc(O)c1C=Nc1cccc(F)c1Cl 804599483 ZQMWVISQVSZCGP-UHFFFAOYSA-N 279.698 3.944 30 20 CHED C#CCC(C)(C)c1nc(-c2cccc(OC(C)C)c2)no1 809359535 VCZRTYAHOMTDQH-UHFFFAOYSA-N 284.359 3.825 30 20 CHED C=CCC(C)(C)c1noc(Cc2noc3ccccc23)n1 560026426 WFTSXJRONVCBIW-UHFFFAOYSA-N 283.331 3.655 30 20 CHED C#C[C@H](NC(=O)C1(c2ccccc2)CCCC1)C(C)(C)C 813775943 OACWHKAGNWGICU-INIZCTEOSA-N 283.415 3.663 30 20 CHED c1cnc(C2CCC2)c(NN=C2CCCc3sccc32)n1 814931981 JNLGNNPRQPDMMF-UHFFFAOYSA-N 298.415 3.958 30 20 CHED C=CCN(C(=O)NCc1cccc2ccsc12)C1CC1 651182864 LDXPTLOLCLZRES-UHFFFAOYSA-N 286.400 3.761 30 20 CHED C=CCC1(NC[C@H]2CCCC[C@H]2C)CCOCC1 657633072 FQMYWQCNPISDHG-HUUCEWRRSA-N 251.414 3.528 30 20 CHED C=C(Br)CN1CCC[C@H](c2ccccc2)C1 814643644 QPDMOJVPUIICOC-AWEZNQCLSA-N 280.209 3.775 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2cccc(F)n2)CS1 814927994 QRIDXNMHGIHRPG-SNVBAGLBSA-N 267.373 3.540 30 20 CHED CC(=NOCCOC(C)C)c1coc2ccccc12 812240430 PSSIEDXVCUKTCY-UHFFFAOYSA-N 261.321 3.598 30 20 CHED Cc1csc(NC(=O)N(C2CC2)[C@H](C)C2CC2)c1C#N 571057508 VZXSDDJVLCEIEZ-SNVBAGLBSA-N 289.404 3.723 30 20 CHED N#CCCC1CCN(Cc2ccc(OCC3CC3)cc2)CC1 570515334 PZGMFRVYBWMJHH-UHFFFAOYSA-N 298.430 3.991 30 20 CHED C=C[C@@H](CC(=O)OCCc1cncs1)c1ccccc1 811124173 YPYSLMYHDBCXJU-ZDUSSCGKSA-N 287.384 3.589 30 20 CHED C=CCCCCOC(=O)[C@@H](c1cccnc1)C(C)C 811011247 PJYGQXCTZOCGDG-OAHLLOKOSA-N 261.365 3.721 30 20 CHED CC[C@H](C=NNc1ccc(OC)cn1)c1ccccc1 814908213 KNKUJSWHNLBMQD-CYBMUJFWSA-N 269.348 3.682 30 20 CHED Cc1ccc2c(c1)OCCCC2=NOC/C=C/Cl 811669877 KTBDINCSTRABDC-HZPYOLDOSA-N 265.740 3.641 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 488884220 TWHUXWYMBILJIJ-BPLDGKMQSA-N 291.341 3.635 30 20 CHED Cc1cccc2cc(C(=O)N[C@]3(C#N)CC3(C)C)sc12 484899389 IQQPRJUVDXRJNM-INIZCTEOSA-N 284.384 3.632 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nn2)s1 728699271 FEGOAJWLTYIUJK-CMDGGOBGSA-N 295.367 3.533 30 20 CHED N#Cc1ccc(CCOc2ccc3c(c2)CCCC3=O)cc1 657246031 OGWFILPYZRAFHN-UHFFFAOYSA-N 291.350 3.699 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc3c(c2)CCC3)no1)OCC 577029436 QWVSLZOCHXNBHU-MRXNPFEDSA-N 298.386 3.749 30 20 CHED CC[C@@H](CC#N)NCc1cc(-c2ccc(Cl)cc2)no1 577527192 LKELWQRCZFXSPT-ZDUSSCGKSA-N 289.766 3.777 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)c(OC)c(OC)c1 650544741 PVJJXGJOGOUTMJ-OAHLLOKOSA-N 297.782 3.898 30 20 CHED C=CCC[C@@H](NCc1cccnc1N1CCCC1)C1CC1 658102325 CKKXTFAAIIZEHV-QGZVFWFLSA-N 285.435 3.516 30 20 CHED N#CCCCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 576028112 ZHQNRLGIQGHFFQ-AWEZNQCLSA-N 288.782 3.657 30 20 CHED Cc1ccc([C@H](C)N(C)c2ccnc(C#N)c2)c(C)c1 571546972 AQPJGWBWGLOODP-AWEZNQCLSA-N 265.360 3.768 30 20 CHED C=CCCn1cc(CN[C@@H](c2ccccc2C)C(C)C)nn1 653604093 BORMPTQLHGEAMX-GOSISDBHSA-N 298.434 3.650 30 20 CHED CC#CCCNC(=O)Nc1cccc(-c2nc(C)cs2)c1 497689159 XEBBGCMXFQGKLZ-UHFFFAOYSA-N 299.399 3.653 30 20 CHED C[C@H]1[C@H](C)C[C@H]1NC1CCC(Oc2ccccc2C#N)CC1 495051378 VMNALOWSJWKELG-AWYCJPSDSA-N 298.430 3.882 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(OC)cc2C)c1 727086952 DHTXTNCTCSHRBJ-UHFFFAOYSA-N 296.395 3.794 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 491624507 HYJKZQLSQGZVIG-NSHDSACASA-N 287.746 3.694 30 20 CHED C=CCCN(CCc1cscn1)OCc1ccccc1 829106324 IWHIRLSNTQGVMR-UHFFFAOYSA-N 288.416 3.696 30 20 CHED C=CC[C@H](OC(=O)C[C@H](C)n1cccn1)c1ccccc1 820685190 FGUMVFWCJYGTBP-HOCLYGCPSA-N 284.359 3.695 30 20 CHED C=C(C)CN1CCC(N[C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 491038356 PKJDUEDCASQFML-UZLBHIALSA-N 298.474 3.858 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc(C(=O)O)cs1 825671631 YCNBCOFDPGKMHN-UHFFFAOYSA-N 296.392 3.656 30 20 CHED C=CCCNC(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 665945831 OGQDAEJPGDTQNN-IRXDYDNUSA-N 286.419 3.849 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2ccsc2C#N)C1 909424180 MNJWOCHMQPGUGL-LLVKDONJSA-N 276.405 3.518 30 20 CHED C=CCN(CC1CCCCC1)Cn1cc(Cl)cn1 732671387 SNQDWFIJMUVSNP-UHFFFAOYSA-N 267.804 3.562 30 20 CHED C=C[C@H](CC)CC(=O)N(c1nc2ccccc2o1)C1CC1 905864417 JVAHJJVEPDXNLY-GFCCVEGCSA-N 284.359 3.926 30 20 CHED C#CCOc1ccc(C(C)=NOCc2ccccc2)cc1 733203455 KRTKFGUHCFGFRO-UHFFFAOYSA-N 279.339 3.639 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](C)CCC=C(C)C 584608272 OVFALBOLUSCACB-JZXOWHBKSA-N 293.451 3.856 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)C1CCCC1 586819118 BEEQPVZCLNOHBP-GFCCVEGCSA-N 297.402 3.897 30 20 CHED CC(C)CC(C)(C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839057144 WMQVNTKVTOBUIO-QWHCGFSZSA-N 251.370 3.684 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CC[C@@](C)(c2ccccc2)C1 835015834 GLDUUQZOKAHSQI-FUHWJXTLSA-N 286.419 3.641 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C1CCC1 581610949 IEBJPNPTHAHLLH-OKZBNKHCSA-N 283.415 3.726 30 20 CHED CC#CC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 838059966 MPEYHWHGDDSYDN-KRWDZBQOSA-N 267.372 3.544 30 20 CHED CC#CCCCCOC(=O)C[C@]1(C)CC1(Cl)Cl 835311622 UQSYIMKSUJYQON-GFCCVEGCSA-N 277.191 3.697 30 20 CHED CC(C)c1ccc(CN(C)C(=O)C#CC(C)(C)C)cc1 837311277 WPXZGQQWSZHPDH-UHFFFAOYSA-N 271.404 3.818 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccccc2Cl)C1 839043439 MABJVKQLSIGBMX-MNOVXSKESA-N 263.724 3.579 30 20 CHED N#Cc1ccc(SCc2ccc(C(=O)O)s2)cc1 833073574 DVWZZABRXBTDAO-UHFFFAOYSA-N 275.354 3.610 30 20 CHED C=C(Cl)CNC(=O)C1(Sc2ccccc2)CCCC1 736239411 XNGLRHALSGQUKK-UHFFFAOYSA-N 295.835 3.960 30 20 CHED COc1ccccc1C=NOCc1cc(C)cc(C)c1 836298889 LDPIIYIFVSHWPM-UHFFFAOYSA-N 269.344 3.863 30 20 CHED C=CCN(Cc1ccccc1)C(=S)NC1CCCCC1 914601770 PGQVMEUHMXJKRT-UHFFFAOYSA-N 288.460 3.882 30 20 CHED Cc1csc([C@H](C)NCc2ccc(C#N)c(Cl)c2)n1 599046860 SMVOGQUAYFGCDX-JTQLQIEISA-N 291.807 3.827 30 20 CHED C=CC1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 599710263 GERXEDWGDBIHBC-UHFFFAOYSA-N 298.213 3.961 30 20 CHED Cc1ccc(C#N)cc1NC(=S)N[C@@H]1CCCC[C@@H]1C 746344536 TUTOIWMYXGEYPT-SMDDNHRTSA-N 287.432 3.732 30 20 CHED C[C@@H](C=NO[C@H]1CCCCO1)c1cc(F)cc(F)c1 834967092 SPAPEOSXOSEACU-HZMBPMFUSA-N 269.291 3.597 30 20 CHED CC(C)(C#N)CCCCOC(=O)CC1CC(F)(F)C1 838262752 BKFFVHFQTGPBBF-UHFFFAOYSA-N 273.323 3.685 30 20 CHED C=C(Cl)CN1CCC(OCC2CCCCC2)CC1 743853886 ICNNOJSUZXEBFH-UHFFFAOYSA-N 271.832 3.800 30 20 CHED C=C[C@H](OC(=O)c1cccc(C(F)(F)F)n1)C(C)(C)C 835391996 UBQIFQOZHCGVEA-NSHDSACASA-N 287.281 3.858 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc(-c2ccc(C)cc2)cc1F 744180854 CPYVOZWTDWHXCX-CYBMUJFWSA-N 282.314 3.980 30 20 CHED CCCCCCCC(=O)N1C[C@H](C)O[C@@H](C(F)(F)F)C1 744732537 VDAMNWJBPHGUGX-NWDGAFQWSA-N 295.345 3.525 30 20 CHED C=C(C)CONC(=O)N(C)Cc1csc2ccccc12 845592879 RMKVPVSDZYLIJF-UHFFFAOYSA-N 290.388 3.550 30 20 CHED C=C(C)CN1CCC(NC(=O)C[C@@H](C)CC(C)(C)C)CC1 592075793 VBRLAXRFKIFDAX-OAHLLOKOSA-N 294.483 3.606 30 20 CHED Cc1occc1C=NNc1ncnc(Cl)c1C(C)C 841635459 CBKAQTPJHNEICJ-UHFFFAOYSA-N 278.743 3.601 30 20 CHED C#CCCCNC(=O)Nc1cc(Cl)ccc1OCCC 743109576 SUAOWISYNQAKMZ-UHFFFAOYSA-N 294.782 3.664 30 20 CHED C#CCN(CC)[C@H](C)c1ccc(OC(F)(F)F)cc1 746457088 WWVZMHJXHUUWJV-LLVKDONJSA-N 271.282 3.601 30 20 CHED CCCCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CC1 593959358 AJIXZJNGCAGQQJ-CQSZACIVSA-N 284.403 3.528 30 20 CHED C=CCOCCCC(=O)N(C)c1ccc2ccccc2c1 742513318 QJYRQDFBXIAMPP-UHFFFAOYSA-N 283.371 3.785 30 20 CHED C=C1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 591062827 LIAJRQTUXDUNIP-UHFFFAOYSA-N 293.794 3.676 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 593451164 VHJITRLJXCQNCO-XHDPSFHLSA-N 290.794 3.847 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1nc(C#N)ccc1C 596181986 JBUHEFLSEXKOFW-WBMJQRKESA-N 299.349 3.589 30 20 CHED C#CCCCCC(=O)Nc1cnn(-c2ccc(C)cc2)c1C 845027424 XSGVIWLDWRWJOD-UHFFFAOYSA-N 295.386 3.621 30 20 CHED C=C[C@@H](C)ON=Cc1c(C)nc2scc(C3CC3)n12 844621004 BUPPUGLHNZDHOV-SECBINFHSA-N 275.377 3.507 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(C(C)(C)C)s1)C1CC1 598130878 IHIUFBNMPVXGHU-JTQLQIEISA-N 276.405 3.562 30 20 CHED CC(C)COC[C@H](N[C@@H](C#N)c1ccccc1)c1ccco1 595425092 JAUVJBREABROPV-IRXDYDNUSA-N 298.386 3.848 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)C1CCCC1 749401175 RYEIFSQERIYOQX-LBPRGKRZSA-N 289.350 3.603 30 20 CHED C[C@H](C#N)N(C/C=C\c1ccc(Cl)cc1)C1CC1 595710003 LMLSCMVDNJNGSV-ZZKXABKFSA-N 260.768 3.730 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 597034579 PQROXXCFWOSTPI-SCTDSRPQSA-N 298.430 3.700 30 20 CHED C#C[C@H](C)OC(=O)c1ccc(-c2ccc(F)cc2)cc1F 744177829 BGVPDAIICIDMMM-NSHDSACASA-N 286.277 3.810 30 20 CHED C=CCN(Cn1c(=S)oc2ccccc21)C(C)C 917482266 IXECCTVPWGUSQG-UHFFFAOYSA-N 262.378 3.818 30 20 CHED COc1cccc(COc2cccc(NCCC#N)c2C)c1 591774480 QDNIFBMURYLPMB-UHFFFAOYSA-N 296.370 3.908 30 20 CHED CCCCCCCCOCC(=O)Nc1ncc(C)s1 741516580 XRFNFYGFRZOCFY-UHFFFAOYSA-N 284.425 3.767 30 20 CHED N#CCC1(COc2ccc(C(F)(F)F)cc2F)CC1 596281197 IWIZRUDXSMAYMQ-UHFFFAOYSA-N 273.229 3.917 30 20 CHED N#Cc1ccccc1Oc1ccc(NCC2(O)CCC2)cc1 591773386 UFMGNMMXAOCRSZ-UHFFFAOYSA-N 294.354 3.677 30 20 CHED C=CCC[C@@H](NC[C@H](C)C(=O)OC(C)(C)C)c1ccco1 594508377 BNMKSYMNXAICAG-UONOGXRCSA-N 293.407 3.854 30 20 CHED N#CCCCCOC(=O)c1c[nH]cc1-c1ccc(F)cc1 745271086 VFKJTOMLEVNXJS-UHFFFAOYSA-N 286.306 3.671 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1cn(C(C)C)nc1C)C2 841488694 XEHJFTALOAUNBO-OQLLNIDSSA-N 280.371 3.903 30 20 CHED C=CCCOCc1nc(Cc2ccc(C(C)C)cc2)no1 680686245 PROTWZPUHBEAFE-UHFFFAOYSA-N 286.375 3.877 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H]1CC(=O)c1ccccc1 683889841 QMJUUCZOLYXIRE-DOTOQJQBSA-N 284.403 3.664 30 20 CHED CCc1ccc(C=NOCc2ccc(OC)c(F)c2)cc1 853979752 VQCCIUKMTNFMEJ-UHFFFAOYSA-N 287.334 3.947 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1ccc(Br)cc1 759461109 FDNRLJPWFHYEIK-NSHDSACASA-N 295.176 3.857 30 20 CHED Cc1cccc2c(CC(=O)O[C@@H](C)CC(C)(C)C#N)c[nH]c12 851210061 RDUAAESUWJSHCZ-ZDUSSCGKSA-N 298.386 3.890 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CC(C)(C)C1CC1 851206940 YRUWSTIPYRWRBF-LLVKDONJSA-N 251.370 3.684 30 20 CHED C(=NO[C@@H]1CCCCO1)c1csc(-c2ccsc2)n1 755813685 HIAMDBJVNQPDQK-GFCCVEGCSA-N 294.401 3.749 30 20 CHED C=CCCOCC(=O)N(CC)C[C@@H](CC)c1ccccc1 681322611 IRPQDZSHMCTAQZ-MRXNPFEDSA-N 289.419 3.621 30 20 CHED C=CCOc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851211235 BYJNESVMOVQUFO-ZDUSSCGKSA-N 287.359 3.737 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCO[C@@H](c2cccs2)C1 926539996 YPBJYQMXVURQSX-MGPQQGTHSA-N 292.448 3.886 30 20 CHED C[C@@H](C=Nn1cnc2ccccc21)c1ccc(F)cc1 756875181 FAFCZLXNUMGZDL-LBPRGKRZSA-N 267.307 3.813 30 20 CHED N#Cc1ccc(NC(=S)NCCC2CCC2)cc1Cl 755716101 ZHQBJXIUSRYQIA-UHFFFAOYSA-N 293.823 3.688 30 20 CHED C[C@@H](NC(=O)c1cc(Cl)cs1)c1ccc(C#N)cc1 757835412 CLJVPLKRWGJCKI-SECBINFHSA-N 290.775 3.764 30 20 CHED CCN(C[C@H](C)C#N)C(=O)/C(C)=C/c1cccc(Cl)c1 758466717 NQWQGIHUOKWZBX-FMNNIJNLSA-N 290.794 3.751 30 20 CHED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)C#CC1CC1 854409424 GWEAGFTYEBJTRK-INIZCTEOSA-N 283.415 3.954 30 20 CHED C[C@@H]1CC[C@H](CC(=O)O[C@H](C)CC(C)(C)C#N)C1 851209130 JDFLVRJDRKSSTK-UPJWGTAASA-N 251.370 3.684 30 20 CHED C=C[C@H](CC)CC(=O)N(CCC#N)c1ccc(F)cc1 932318336 WYCXRPYZHINNGC-CYBMUJFWSA-N 274.339 3.675 30 20 CHED C=CCCC(CC)=NNc1ccc([N+](=O)[O-])cc1OC 750937487 TXEQIIHGBPCQFM-UHFFFAOYSA-N 277.324 3.748 30 20 CHED C[C@H]1CCC(=NOCC(F)(F)F)c2ccccc21 752733623 FEYZYEBLHOJDFJ-VIFPVBQESA-N 257.255 3.867 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(Cl)cc1Cl 752973963 IKALFHADQVDVQR-VIFPVBQESA-N 271.147 3.527 30 20 CHED Cc1cc(OC(=O)/C=C\c2ccsc2)ccc1C#N 765099244 RGGSGIDORVURTP-DJWKRKHSSA-N 269.325 3.547 30 20 CHED COc1cccc(C(=O)/C=C/c2cnc(Cl)c(C)c2)c1 760264690 NGEAEUPTJWVADC-VOTSOKGWSA-N 287.746 3.948 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cnc2ccccc2c1 860199370 BJXRQZCDAOLPRD-UHFFFAOYSA-N 282.343 3.608 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(SC(F)(F)F)c1 863619324 XCZAFOIGMOQAMN-QMMMGPOBSA-N 288.294 3.787 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1sccc1O 769781270 YZCPLOULXVBJQX-JTQLQIEISA-N 260.362 3.529 30 20 CHED CC(C)c1cccc(C(=O)OCc2cc(C#N)ccc2F)n1 762047478 OHADJXNVGCBHNF-UHFFFAOYSA-N 298.317 3.573 30 20 CHED CC#CCCCC(=O)OCc1csc(-c2ccco2)n1 767667275 ZWEFQNKNWNJROX-UHFFFAOYSA-N 289.356 3.640 30 20 CHED CC(CCCC(C)C)=NNc1ccc([N+](=O)[O-])cn1 764683330 SSOQFEZRRXGKPM-UHFFFAOYSA-N 264.329 3.604 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)c1nccn1-c1ccccc1 935991440 GRFSMQLHLJCCMU-HUUCEWRRSA-N 297.402 3.652 30 20 CHED Cc1cc(C=NNCc2cccc(Cl)c2)ccc1C#N 766456315 ZAKKLPHXDTUWLJ-UHFFFAOYSA-N 283.762 3.644 30 20 CHED C/C=C(/C=C/C(=O)OCc1ccc(C#N)cc1)CC 767656188 AECBJSBKPXHBRH-BQDNQQQLSA-N 255.317 3.514 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(O)cc1 769827540 CNTXXQZCHKWTBW-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C=CCCCCNC(=O)c1ccc(OC)c(C2CC2)c1 766893947 YPFVXBXLVMVCSH-UHFFFAOYSA-N 273.376 3.659 30 20 CHED CC(C)Oc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 765928975 QRAYAXJZGMHQJD-ZBFHGGJFSA-N 272.392 3.646 30 20 CHED C[C@H](N(C)Cc1ccc(O[C@H](C)C#N)cc1)C(C)(C)C 768542037 DIDAGGZZTCFBGQ-KGLIPLIRSA-N 274.408 3.844 30 20 CHED Cc1ccc(NN=Cc2ncccc2C(F)(F)F)cc1 765542178 HUIAHAUKNZHWSS-UHFFFAOYSA-N 279.265 3.855 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1cncc(C)c1 767384099 AOROXYMBDMCEPQ-UHFFFAOYSA-N 273.767 3.557 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ccc(-c2ccccc2)cc1F 775488894 WOQSITNNNSBBPU-LBPRGKRZSA-N 297.333 3.916 30 20 CHED C=CCSc1ccccc1C(=O)OCc1cncs1 776888628 MFTRUCAFRNEPKG-UHFFFAOYSA-N 291.397 3.778 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2ncco2)c1 879287073 KJXQAANGNUPJBX-UHFFFAOYSA-N 270.332 3.882 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)c1c(F)cccc1F 776799138 NKDYAAUSPIQDAK-GFCCVEGCSA-N 286.325 3.996 30 20 CHED Cc1ccc(C#N)c(Nc2ccn(C3CCCCC3)n2)n1 1117302658 ADUWXEUJVKXKGM-UHFFFAOYSA-N 281.363 3.707 30 20 CHED CCCCCCCCCNC(=O)N1CCCC[C@@H]1CCO 776038729 IWNQQGYRJRMZAS-MRXNPFEDSA-N 298.471 3.684 30 20 CHED COc1cccc(NN=CC2([C@H]3CCCCO3)CCC2)c1 872338905 QAGBQFIHUZSQCQ-MRXNPFEDSA-N 288.391 3.832 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C/c1ccc2[nH]ccc2c1 776397230 PPKBYZFOCOBSFU-GQCTYLIASA-N 282.343 3.664 30 20 CHED C[C@H](CCC#N)CN1CCc2ccc(Cl)cc2C1 1119295365 BTZRFKDUIPBOTQ-GFCCVEGCSA-N 262.784 3.638 30 20 CHED C#CCOc1ccccc1N[C@@H](C)c1cccc(C#N)c1 775587044 RAMJEPWZKKEDEZ-AWEZNQCLSA-N 276.339 3.743 30 20 CHED C=C(CC)CS[C@H]1CCCN(Cc2ccccc2)C1=O 773289389 ASJXSTBPPGFFKQ-INIZCTEOSA-N 289.444 3.877 30 20 CHED CC#CCOC(=O)c1cc(Cl)cc(C(F)(F)F)c1 778524131 KFLNYVUVDRCZRH-UHFFFAOYSA-N 276.641 3.539 30 20 CHED C=C1CCC(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)CC1 887910026 LOCAXGHJXXDKTA-AWEZNQCLSA-N 287.403 3.961 30 20 CHED COc1ccc(CN[C@@H](C)CCC=C(C)C)cc1C#N 773084241 RTJJKGMAQSETQW-AWEZNQCLSA-N 272.392 3.791 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cn(C)nc1C 779825530 WVULZOFKLLDGOH-UHFFFAOYSA-N 284.407 3.862 30 20 CHED C(=NOC1CCCC1)c1ccc(Oc2cnccn2)cc1 774596288 BMTBECGAXDTHSZ-UHFFFAOYSA-N 283.331 3.562 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)O[C@@H](CC#N)c1ccco1 1123463438 TUZMRDOQANDZIW-YOEHRIQHSA-N 297.354 3.965 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccc(C#N)cc1F 772798143 SRZUUUOHOOKQSR-SOFGYWHQSA-N 295.313 3.911 30 20 CHED Cc1nc(C#N)cc(SC[C@H](C)c2ccccc2)n1 882283682 CDJYPYRNJRRJAO-NSHDSACASA-N 269.373 3.553 30 20 CHED C#CCC1(C(=O)NCC2(CC)CCC2)CCCCC1 788229554 XFRHFORMPAYAFH-UHFFFAOYSA-N 261.409 3.657 30 20 CHED CC(C)[C@H](F)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 784159597 VWRWLRUXYCUSNG-UYJPIKCFSA-N 282.403 3.595 30 20 CHED CCN(Cc1ccc(CC#N)cc1)c1ccc(OC)cc1 784177066 WPIBHELFZWCWFW-UHFFFAOYSA-N 280.371 3.788 30 20 CHED N#CCCCCOC(=O)c1ccc(C(F)(F)F)c(F)c1 784243193 AFZUDRVCWJBODD-UHFFFAOYSA-N 289.228 3.695 30 20 CHED CC(C)=CCCC(C)=NN[C@@H]1CCOC(C)(C)C1 780252475 JNSFUZYWCGQQKA-CQSZACIVSA-N 252.402 3.656 30 20 CHED COc1cc(F)cc(NN=Cc2cc3ccccc3[nH]2)c1 788435626 WGOARMULHFQFIE-UHFFFAOYSA-N 283.306 3.762 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 76068213 ZLWIODONMJJDNJ-HZPDHXFCSA-N 274.433 3.664 30 20 CHED Cc1ccc(C(=O)OCCCC(C)(C)C#N)c(C)c1 782035376 LOPKCJFTONDLGO-UHFFFAOYSA-N 259.349 3.790 30 20 CHED CC[C@@H]1CCC[C@@H](C=Nn2c(S)nnc2C(C)C)C1 783805777 KEZFVWPRNNHWSC-VXGBXAGGSA-N 280.441 3.741 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2cnccc2C)CCCCC1 788238263 KGNJXMXPXKWLJO-OAHLLOKOSA-N 284.403 3.541 30 20 CHED CCCCC[C@@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 786836882 KUMPPSHFMWOFOY-CXAGYDPISA-N 299.418 3.814 30 20 CHED C#CCCCCCC(=O)Nc1cc(C)cnc1Cl 787976573 JQAQVMOARNALFW-UHFFFAOYSA-N 264.756 3.566 30 20 CHED Cc1ccc(OC(F)F)c(/C=C/C(=O)c2cncs2)c1 787172359 KLECRPPNZFQXTM-ONEGZZNKSA-N 295.310 3.949 30 20 CHED COc1ccc(NN=C(C)c2cc(C)sc2C)nc1 780268999 ZPEHRUGUOUBGSX-UHFFFAOYSA-N 275.377 3.605 30 20 CHED Clc1ccc(Cl)c(C=NNCCc2ccccn2)c1 789113540 VVFWGFSWBQBWNK-UHFFFAOYSA-N 294.185 3.555 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2ccccc2)c(Cl)c1 783697449 QSPRMXYRMFALCM-CMDGGOBGSA-N 286.714 3.934 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1ccc(F)cc1F 782420167 VYFNVPXRPMUNNR-NSHDSACASA-N 282.359 3.702 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1ccccc1Cl 780188656 TYVFIOPFOBNMNM-UHFFFAOYSA-N 272.735 3.808 30 20 CHED C[C@@H]1Cc2cc(N[C@H]3CCC[C@H](C#N)C3)ccc2O1 897114396 MCOKPKZXAPREEG-DYEKYZERSA-N 256.349 3.504 30 20 CHED CC(C)(CNCc1cc(C#N)cs1)C1CCCC1 513495543 RERHJEYBOLEEOM-UHFFFAOYSA-N 262.422 3.926 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc2c(c1)OCCO2 398073006 NJDAVRSGIGFSEU-UONOGXRCSA-N 275.392 3.853 30 20 CHED C=CCC1(C(=O)OCc2ccc(F)c(F)c2)CCC1 791564523 PVWSMNRZNKNQBE-UHFFFAOYSA-N 266.287 3.754 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1cccc(Cl)n1 793174961 OVFTWQXAGVNZMV-ZJUUUORDSA-N 251.761 3.959 30 20 CHED CCc1ccc2occ(C(=O)OCC(C)(C)C#N)c2c1 797252614 GRVDIXXDRKODMO-UHFFFAOYSA-N 271.316 3.702 30 20 CHED COCCCON=C1CC[C@@](C)(c2ccccc2)C1 795051366 QJKABDBJAUSAHQ-MRXNPFEDSA-N 261.365 3.537 30 20 CHED Cc1noc(C)c1C=NNCc1cccc(Cl)c1Cl 790182122 BMMDORSHKUNJJL-UHFFFAOYSA-N 298.173 3.722 30 20 CHED CC[C@@H](C)CON=Cc1csc(-c2ccccn2)n1 793144669 FMQYSGJBNOCGFW-LLVKDONJSA-N 275.377 3.602 30 20 CHED CCOc1ccc(C(C)=NN[C@H](C)CC)cc1OCC 790183116 OQKMJJJCYARWJF-GFCCVEGCSA-N 278.396 3.596 30 20 CHED Cc1ccccc1-n1nccc1/C=C\C(=O)c1ccco1 794941792 YCOXKHROZTUYAZ-HJWRWDBZSA-N 278.311 3.670 30 20 CHED CC[C@H](C)NN=Cc1ccc(-c2c(F)cccc2F)o1 790184097 XSPOCQMXZZKPDY-JTQLQIEISA-N 278.302 3.947 30 20 CHED COc1cc(/C=C\C(=O)c2cc(C)c(C)o2)cc(OC)c1 799898469 ZTFYZSGBDHPSTE-WAYWQWQTSA-N 286.327 3.810 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@H]1CCO[C@@H]1C 793429039 LGPFCUJDUGEUCP-CHWSQXEVSA-N 292.400 3.547 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc(Cl)nc2)n1 795767355 MHYBKGZGFBAKDS-YVMONPNESA-N 275.739 3.797 30 20 CHED CC[C@H](C)NN=C(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 790191164 UAUVHFIWWQEQHT-RYUDHWBXSA-N 277.368 3.537 30 20 CHED C=CCCC(C)(C)NCc1cccc(OCC)c1O 717917566 XNZVMISDSCNISN-UHFFFAOYSA-N 263.381 3.625 30 20 CHED Clc1cccc(CNN=Cc2ccncc2)c1Cl 790180198 BOPOZRMKDLHGLP-UHFFFAOYSA-N 280.158 3.512 30 20 CHED C[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccccc1C#N 799430109 LNNXQSCGLYPAMO-BMSUMIBZSA-N 288.350 3.549 30 20 CHED Cc1ccc(-c2noc(-c3ccc(C)c(C#N)c3)n2)cc1 799760115 DSXWHNJOQFAVDB-UHFFFAOYSA-N 275.311 3.892 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cncc(Br)c1 695791457 NBOQRHXBPKXWJT-SECBINFHSA-N 282.185 3.584 30 20 CHED Cc1ccc2cc(C(=O)Nc3cc(F)cc(C#N)c3)[nH]c2c1 1151647849 COWLQRFIUZYOES-UHFFFAOYSA-N 293.301 3.739 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1cc(C)cc(C#N)c1 1310873417 VYRTYAGRASWPDL-UHFFFAOYSA-N 293.370 3.921 30 20 CHED C=C(CNC(=O)CCOc1ccccc1C)c1ccccc1 1323558928 UIILFAAYIDATCJ-UHFFFAOYSA-N 295.382 3.594 30 20 CHED CCOc1ccc(/C=C\c2cc(C#N)ccn2)cc1F 1323088823 UGFSVPJZBOJYFF-HYXAFXHYSA-N 268.291 3.661 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(OC)c2ccccc12 1320593660 ZWTHCSSTHBYHHF-UONOGXRCSA-N 285.387 3.700 30 20 CHED C[C@@H](OC(=O)CC#Cc1ccccc1)c1ccc(C#N)cc1 1323875784 HBPHKVFEARFIQR-OAHLLOKOSA-N 289.334 3.604 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C(F)F)cc1F 1337581674 VRCOXICJHCUXKI-JTQLQIEISA-N 284.281 3.528 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1csc(C#N)c1 1330563396 IFMGTKCPDIZPON-UHFFFAOYSA-N 288.416 3.828 30 20 CHED CC[C@](C)(NC(=O)c1cccc(C#N)c1C)c1ccccc1 1344639394 UFHRWNLFQVWNFL-IBGZPJMESA-N 292.382 3.922 30 20 CHED N#Cc1ccc(NC(=O)c2ccsc2C(F)F)cc1 1348468403 IOUGKCDJMYMGJD-UHFFFAOYSA-N 278.283 3.810 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NCCC1CC(F)(F)C1 1340181816 KCOSRIBLEVASBL-ZDUSSCGKSA-N 286.366 3.562 30 20 CHED C=CCCC(C)(C)NCc1ccc(-c2cnn(C)c2)cc1 1346855285 MDNSVXASPFGMEF-UHFFFAOYSA-N 283.419 3.922 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c(Cl)c1C 1343352071 UCWIOWTWJPKMPE-VXGBXAGGSA-N 277.751 3.806 30 20 CHED C=CCCOCCN[C@@H]1CC[C@@H](C)c2ccccc21 222446720 LGSGJIUSQMSRBA-RHSMWYFYSA-N 259.393 3.807 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 1346895184 KRUXKUXFCXOILQ-KBPBESRZSA-N 293.432 3.519 30 20 CHED CCCCCCCOC(=O)c1cc(F)ccc1[N+](=O)[O-] 110071006 DERLBFISHSTZOJ-UHFFFAOYSA-N 283.299 3.861 30 20 CHED N#CCC1(COC(=O)C2(Sc3ccccc3)CC2)CC1 1350051964 FQKZJOFOMVBURF-UHFFFAOYSA-N 287.384 3.548 30 20 CHED Cc1ccccc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 1350789305 MIMVVYFFDKYXJT-AWEZNQCLSA-N 278.355 3.684 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1cccc(C#N)c1F 219516625 OFLUZSJZVHSRMO-NSHDSACASA-N 274.364 3.952 30 20 CHED CC(C)c1ccc(C[C@@H](C)N=c2cc[nH]c(C#N)c2)cc1 1458262895 LFGRYUPYWGNKQL-CQSZACIVSA-N 279.387 3.542 30 20 CHED C[C@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1524153523 WKTFQQYRXHYMEK-NKKGCODLSA-N 283.371 3.784 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)c1ccccc1Cl 1526772321 SZEMFEAPTNVRIT-VIFPVBQESA-N 290.775 3.764 30 20 CHED N#Cc1cc(C(=O)O[C@@H]2CCc3ccc(F)cc32)cs1 1524315374 VFDYIVZTQIJKHQ-CQSZACIVSA-N 287.315 3.603 30 20 CHED C=C(CC(C)C)C(=O)N1CCC2(CCSCC2)CC1 1528642230 ROPMMCUULZCGPS-UHFFFAOYSA-N 281.465 3.725 30 20 CHED O=C(O)c1cccc(NN=C2CCC[C@@H]2CCCF)c1F 1608935815 JHBKQPJQFBQGAR-SNVBAGLBSA-N 296.317 3.842 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@](C)(OC)C1CC1 1461960969 CXHLTUMSAVGKQZ-SFHVURJKSA-N 286.419 3.585 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)CCCC(C)(C)C 1543531767 JTCGLFKFTNEWMX-UHFFFAOYSA-N 286.375 3.916 30 20 CHED Cc1c(Cl)cnc(N(C)CC2CCCCC2)c1C#N 1559063561 ZEXNRCYVHBCXLH-UHFFFAOYSA-N 277.799 3.932 30 20 CHED CCN(Cc1ccc(Cl)cc1C#N)C(C)(C)C 1559865222 IQRPQSFGJGVGDR-UHFFFAOYSA-N 250.773 3.832 30 20 CHED Cc1cc(N[C@@H](C)[C@@H](C)c2ccccc2)ncc1C#N 1642355956 IEOKCMLLGIKQKL-KGLIPLIRSA-N 265.360 3.866 30 20 CHED N#Cc1ccccc1OCc1cnc(-c2ccccc2)nc1 1640720561 IJVGGKRVIGMYFR-UHFFFAOYSA-N 287.322 3.594 30 20 CHED CCO[C@@H]1CCCC[C@H]1Nc1nc(C)c(C#N)cc1Cl 1651942510 JILJSPZFTKTPRO-ZIAGYGMSSA-N 293.798 3.675 30 20 CHED C=CC[C@@H](N[C@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)O 1588747022 YBVWVCPBOHRCEX-KGLIPLIRSA-N 297.757 3.549 30 20 CHED CC(C)CCN(CCC(C)C)c1ccnc(C#N)c1 232553197 GBXIZSUQBQARDA-UHFFFAOYSA-N 259.397 3.852 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(F)cc(C#N)c1 1672407216 UPRGYKBPHZBKDY-IUODEOHRSA-N 289.354 3.788 30 20 CHED C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1ccsc1 1670084844 URYRBLRVPGJQDH-LLVKDONJSA-N 285.372 3.697 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1cc(C)cs1 1776089509 VZLGHZODEPNSMF-UHFFFAOYSA-N 288.372 3.899 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](C)C2CCC2)c1 161577667 OEAFIGXAFDWMAW-LBPRGKRZSA-N 274.364 3.562 30 20 CHED C[C@H]1C[C@H](C)CN(Cc2cccc(OCCCC#N)c2)C1 158002687 JJZKRHATZRVAKI-HOTGVXAUSA-N 286.419 3.847 30 20 CHED CCC(=CC(=O)[C@H](C#N)C(=O)Nc1ccc(CC)cc1)CC 151604563 DAZQHIANAWGKOU-INIZCTEOSA-N 298.386 3.643 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1c(C)cccc1C 151966164 ZJLCXHUQMUXRDU-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED C#CCCCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 156557691 NHFVZGOCHYVVMG-NWDGAFQWSA-N 293.769 3.502 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(OC)cc(OC)c1 156739930 KAURWPOZQXSWGT-UHFFFAOYSA-N 291.391 3.522 30 20 CHED CS[C@@H]1CCC[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 235245525 OPETWIAVDWRNRY-NWDGAFQWSA-N 291.376 3.553 30 20 CHED Cc1ccc(C(C)C)c(OCc2cc(C#N)ccn2)c1 901374050 VJDAJBKUXYRWNE-UHFFFAOYSA-N 266.344 3.964 30 20 CHED C=CCN(CCOc1ccc(OCCC)cc1)C(C)C 917070868 ILWCUGALXLRVGW-UHFFFAOYSA-N 277.408 3.751 30 20 CHED CC1(C)CCC[C@@H](NCc2cccc(OCC#N)c2)C1 136128331 DYAHOBIIMFOLIY-OAHLLOKOSA-N 272.392 3.647 30 20 CHED C[C@@H](NCCc1cccc(F)c1)c1cccc(C#N)c1 37262414 VOEIICWYSKDDTF-CYBMUJFWSA-N 268.335 3.591 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1ccoc1 178089936 GNFFZAPASKZDAD-ZDUSSCGKSA-N 257.333 3.695 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(Cl)c(C#N)c1 191708825 VWNRBWIIIYCQAW-SECBINFHSA-N 250.729 3.586 30 20 CHED Cc1ncsc1CNc1ccc(C#N)c(C(F)(F)F)c1 71213616 YEUVVJPNVLTBRO-UHFFFAOYSA-N 297.305 3.954 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H](C(F)(F)F)C1(C)C 311640865 PODVPDKVKACZBU-LLVKDONJSA-N 276.346 3.979 30 20 CHED Cc1nc(N2CC[C@H]3CCCC[C@@H]3C2)c(Cl)cc1C#N 312296133 AGLGYTQVFBDMOM-CHWSQXEVSA-N 289.810 3.932 30 20 CHED CCO[C@H]1C[C@@H](Nc2cccc(CC#N)c2)C12CCC2 313437658 NTLJDQZLQKEHNO-CVEARBPZSA-N 270.376 3.512 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 617788983 WJHIIILCZWCIPE-LLVKDONJSA-N 281.758 3.907 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC23CCC3)cc1 353882016 OIOHNWKZUPXYOQ-MRXNPFEDSA-N 257.377 3.674 30 20 CHED C=CCC(C)(C)CN[C@H]1CCc2c(cccc2OC)C1 551239959 BRJIYLVLTWQYLQ-HNNXBMFYSA-N 273.420 3.744 30 20 CHED C=CCOCCCN[C@H](C)c1ccc(F)cc1Cl 451117557 VFGUXSNEXBRZFA-LLVKDONJSA-N 271.763 3.722 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1ncc(C#N)cc1Cl 359016369 FYPWPLNCSYGBSW-VXGBXAGGSA-N 281.812 3.693 30 20 CHED C=CCC(C)(C)CNCc1ccc(OCC)c(OC)c1 383933832 VYJPHJPEQCVPCD-UHFFFAOYSA-N 277.408 3.786 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(C#N)c1)C2 108145361 HVBQADUGXVWUJQ-SXGWCWSVSA-N 259.308 3.689 30 20 CHED C=CCOC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 58849140 HXUOLKFTRCLOPX-UHFFFAOYSA-N 287.384 3.699 30 20 CHED C[C@@H](CC(=O)Nc1sccc1C#N)c1ccccc1F 102600982 VOIKGJLEININDC-JTQLQIEISA-N 288.347 3.891 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)c2ccccc2)c1 308126461 DHLZBLPIRKDVFI-CYBMUJFWSA-N 264.328 3.609 30 20 CHED CC(C)(C)C1CCN(CCOc2cccc(C#N)c2)CC1 50346984 CPDDQBZPPTYLLW-UHFFFAOYSA-N 286.419 3.695 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1ccccc1OC(F)F 57826309 SHDGYHBJDYKVPN-CMDGGOBGSA-N 290.265 3.890 30 20 CHED COc1cccc(/C=C/C(=O)c2cccc(F)c2)c1OC 28495459 IJRCTYOKAGVVHG-MDZDMXLPSA-N 286.302 3.739 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)cc1 106503465 CIGYFPPWIZWMMQ-INIZCTEOSA-N 295.317 3.506 30 20 CHED C#CCCCCC(=O)N[C@H](c1ccc(OC)cc1)C(C)C 179676701 DZCFHMPQUSJXAG-SFHVURJKSA-N 287.403 3.702 30 20 CHED CCCN(CC#N)[C@H](C)c1ccccc1Br 52134869 XZALNRHRPIIZRO-LLVKDONJSA-N 281.197 3.746 30 20 CHED C[C@@H](C[C@@H]1CCCO1)Nc1ccc(C#N)c(C(F)(F)F)c1 109129341 OQNXXYCIVQRRFZ-GWCFXTLKSA-N 298.308 3.947 30 20 CHED CC(C)(C)CN(CCC#N)CCCOc1ccccc1 346269686 LRFBLARXGBFSKR-UHFFFAOYSA-N 274.408 3.717 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1cccc(C#N)c1 59270213 RSESUBRRNUSAFN-BQYQJAHWSA-N 277.323 3.771 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)c2cccs2)n1 177775306 YYKCPLGDUHSTCS-SECBINFHSA-N 276.386 3.818 30 20 CHED CCCCCCCC(=O)N[C@H](C)CN1CCC[C@H](C)C1 105409268 MYLLUOZBQRXUMJ-JKSUJKDBSA-N 282.472 3.584 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc(Cl)cc1Cl 57157928 BKWJTEBGVKRWHF-UHFFFAOYSA-N 286.202 3.961 30 20 CHED N#Cc1ccc(N2CCc3sccc3C2)cc1Cl 61850678 KEVKFZCFMONAKA-UHFFFAOYSA-N 274.776 3.836 30 20 CHED Cc1cc(F)c(C(=O)Nc2cccc(C#N)c2C)cc1F 178392031 WHNHUMZFVNMTMN-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CN(CCCC(C)(C)C#N)CCOc1cccc(Cl)c1 174812431 USXHKSNJFSIXKZ-UHFFFAOYSA-N 294.826 3.981 30 20 CHED C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(Cl)cc1C#N 301882667 ITPJHIQYLUQHPD-QMTHXVAHSA-N 290.750 3.729 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C)[C@H]1C 179348055 TXBOUXPUYOUDBP-DGCLKSJQSA-N 271.364 3.519 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(F)cc1OC(F)F 174060266 FTJKSSAFQCABAF-MRVPVSSYSA-N 288.269 3.513 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CCC[C@@H]1C)c1ccccc1 409667623 UXYDKODIQMKIHO-BPUTZDHNSA-N 257.377 3.651 30 20 CHED CCC1(C/N=C(/N)Nc2ccc(C)cc2)CCCC1 305049059 BUIDFPZHGMTLJI-UHFFFAOYSA-N 259.397 3.692 30 20 CHED CCCN(CCCOC(C)C)Cc1ccc(C#N)cc1 171499007 JODPJZBKBOTAPR-UHFFFAOYSA-N 274.408 3.585 30 20 CHED Cc1ccccc1[C@@H](O)CNc1c(Cl)cccc1C#N 78251939 KYNZHHPIYHBLRB-HNNXBMFYSA-N 286.762 3.666 30 20 CHED C[C@@H]1CCC[C@H](Nc2ccc(F)cc2OCC#N)C1 181540367 ZSRWOENLKSFHNE-YPMHNXCESA-N 262.328 3.719 30 20 CHED CN(CCc1cccs1)c1ccc2cc(C#N)ccc2n1 301972115 HGWVACBLAFKJAK-UHFFFAOYSA-N 293.395 3.847 30 20 CHED CC(C)(CNc1ccc(C#N)cn1)c1ccccc1Cl 301154277 MIJFEZWCOXAHOB-UHFFFAOYSA-N 285.778 3.996 30 20 CHED Cc1cccc(CCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 116812193 WDMIGYVKPVQMEF-YJBOKZPZSA-N 284.403 3.516 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@@H](CCC#N)c1ccccc1 186668912 DHMBGNGAIVTJHG-PVAVHDDUSA-N 284.403 3.974 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(C#N)ccc1F 441470562 XEXGJTCMSKWHTM-MRRJBJDNSA-N 272.367 3.850 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc1 110577811 RLLBEVSCFJSNOV-ROUUACIJSA-N 290.366 3.624 30 20 CHED CCC(CC)CC(=O)N[C@@H](C#N)c1ccccc1Cl 177758662 KYISSKPWPIMLEB-AWEZNQCLSA-N 278.783 3.847 30 20 CHED CC[C@H](C#N)Sc1nc2cc(Cl)ccc2n1C 127526923 HYGOHBDBUIONDU-SECBINFHSA-N 265.769 3.621 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 115984023 YYXNSCJJGBXWEF-KBPBESRZSA-N 297.304 3.688 30 20 CHED CC(C)C[C@H]1CCCN(c2c(C#N)cccc2C#N)C1 302884236 LMUUTHLYBCCIHY-CQSZACIVSA-N 267.376 3.692 30 20 CHED Cc1cc(Oc2ccnc(C#N)c2)ccc1Br 128098864 QAPJYKNHURRTID-UHFFFAOYSA-N 289.132 3.817 30 20 CHED N#Cc1cccc(CNCC2(Sc3ccccc3)CC2)c1 69025928 UHJCWIGXYGWBFT-UHFFFAOYSA-N 294.423 3.973 30 20 CHED N#Cc1csc(CNCC2(c3ccccc3)CCC2)c1 177683743 BKNRXSNUGRNLLZ-UHFFFAOYSA-N 282.412 3.831 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2ccccc2)CCCC1 301999861 ULAHPHNFSOJDNE-UHFFFAOYSA-N 271.404 3.923 30 20 CHED CC(C)c1noc(CSCc2ccc(C#N)cc2F)n1 79363908 JBMIBOHIVWZBAD-UHFFFAOYSA-N 291.351 3.637 30 20 CHED Cc1cnc([C@@H](C)Nc2cc(C#N)cc(Cl)n2)s1 125527814 DYFKPVFMKZRWLM-MRVPVSSYSA-N 278.768 3.545 30 20 CHED CCOc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1 181120481 YXEYVKMFFFPNPO-CQSZACIVSA-N 296.370 3.988 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CC(C)C)C1 188513808 IPSCQCQHTPLMPD-ZBFHGGJFSA-N 251.414 3.873 30 20 CHED C=C(C)CN(CC)Cc1c(F)cccc1N1CCCC1 505898989 SVAYDYBQPUIPSK-UHFFFAOYSA-N 276.399 3.824 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ncc(C)s1 180442518 VIDJPPWVQZQVTB-UHFFFAOYSA-N 288.416 3.648 30 20 CHED C=C[C@@H](CC(=O)NC1(C#N)CCCCC1)c1ccccc1 123079364 SACOCOVDHWUVKB-HNNXBMFYSA-N 282.387 3.689 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 187542837 NIBKJDYHHZOSFG-HNNXBMFYSA-N 286.419 3.714 30 20 CHED CC#CCCCC(=O)N(CCC)CCc1cccc(F)c1 185557900 VCSXWKBJBLOMRC-UHFFFAOYSA-N 289.394 3.800 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(C#N)cc1 73630598 XDRXNVSFOVUGJX-YOEHRIQHSA-N 299.418 3.668 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3cc(F)cc(F)c3)cnc12 126508704 KLPSIPYEIINVTK-SNAWJCMRSA-N 298.292 3.817 30 20 CHED CC(C)(C#N)COC(=O)c1ccc(-c2ccccc2F)o1 180113000 LCHCAGDESQOPLH-UHFFFAOYSA-N 287.290 3.792 30 20 CHED C#CCCOc1ccc(CNc2ccccc2N(C)C)cc1 127214513 JSFCAZDOAIRGSX-UHFFFAOYSA-N 294.398 3.767 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(CCC)nn1C)c1ccccc1 188955745 MMIUEXCILJPEMA-MRXNPFEDSA-N 297.402 3.671 30 20 CHED CC#CCCCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 184968374 LUJURXKFLQHILE-UHFFFAOYSA-N 299.370 3.860 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(-c2ccccc2)cc1 183899435 MVXHPNVJPOKVDR-KRWDZBQOSA-N 278.355 3.776 30 20 CHED C=C[C@H](CC(=O)Nc1cccc(O)c1)c1ccccc1 121632817 UZDZRBYJPFZCQS-CYBMUJFWSA-N 267.328 3.691 30 20 CHED CCOc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1OC 185726207 ZFEAOOUPEQPXGD-STQMWFEESA-N 274.364 3.588 30 20 CHED C[C@H](NC(=O)[C@H](C)c1cccs1)c1cccc(C#N)c1 75269217 SBRHJEJHTWVGJH-NEPJUHHUSA-N 284.384 3.601 30 20 CHED Cc1noc(C)c1C[C@@H](C)Nc1cc(Cl)ccc1C#N 77990666 GWIFXBDFNVFLCF-SECBINFHSA-N 289.766 3.860 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CS[C@H](C)C1 412604087 PCNWJCXPFWPCDE-VXGBXAGGSA-N 293.457 3.589 30 20 CHED CC(C)Cc1c[nH]c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 411336385 IPBMKLKPHQAKCI-ZDUSSCGKSA-N 295.386 3.576 30 20 CHED N#Cc1ccc(CNc2cccc(-c3cnco3)c2)c(F)c1 505295212 FMRVFQWCHCPBQS-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CCOc1ccc(C(=O)/C=C/c2scnc2C)cc1 78692784 MMNNQAVGDBGBIN-CMDGGOBGSA-N 273.357 3.746 30 20 CHED CC(C)(C)CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505933052 DRSGBWFMOYBZBO-GFCCVEGCSA-N 298.308 3.822 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cc(C)ccc1OC(F)F 188505528 YSGXEUCABWGFGS-INIZCTEOSA-N 297.345 3.815 30 20 CHED C=C(C)COCCNC(=O)C[C@H](CC)c1ccc(C)cc1 136194821 MQYHWCYOCRQBBY-INIZCTEOSA-N 289.419 3.588 30 20 CHED CCN(CCC1(C#N)CCCCC1)Cc1ccccn1 411318726 QNPFKIVDXKNMRS-UHFFFAOYSA-N 271.408 3.768 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C)cc1SC 417240209 LTXMTGCRKGDDHC-UHFFFAOYSA-N 264.394 3.805 30 20 CHED C=CCC1(C(=O)N2CCSCC[C@H]2C)CCCCC1 410759370 GOSLGPIPSNKDTF-CQSZACIVSA-N 281.465 3.867 30 20 CHED C=CCCCCCN(C)Cn1nc(C)n(CCC)c1=S 89651091 VDGTVXGKQLCRDA-UHFFFAOYSA-N 296.484 3.768 30 20 CHED C[C@H](Nc1cccc2c1OCO2)/C(O)=N/C1CCCCC1 329360093 CALGZRGNWFCGAC-NSHDSACASA-N 290.363 3.505 30 20 CHED Cc1c(F)ccc2sc(N=C(O)C[C@@H]3CCOC3)nc12 329789540 CAIFCVGOGUPKSU-VIFPVBQESA-N 294.351 3.758 30 20 CHED Cc1ncc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)s1 195233943 JQYDSYACELUKFL-UHFFFAOYSA-N 285.372 3.505 30 20 CHED CCn1cc(C(=O)/C=C/c2cccc(OC(C)C)c2)cn1 194858991 URCPDSUZFOWQEC-CMDGGOBGSA-N 284.359 3.586 30 20 CHED C#CCCCC(=O)N[C@H](CC)c1ccccc1OC(F)F 192172274 PHWUTUXLWGHFHI-CYBMUJFWSA-N 295.329 3.659 30 20 CHED Cn1ccc2ccc(NC(=O)Nc3cccc(C#N)c3)cc21 191036731 KHNCWFGWEOOGAX-UHFFFAOYSA-N 290.326 3.694 30 20 CHED N#Cc1ccc(NC(=O)CCc2ccc(Cl)s2)cc1 44265860 GWQYTWKRCUOMFM-UHFFFAOYSA-N 290.775 3.844 30 20 CHED CC(C)[C@H](C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425120794 BDFDUYIOGWYATA-KGLIPLIRSA-N 272.392 3.760 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)c1ccc(C#N)cn1 45026410 HFOXGMLZXOYCST-LBPRGKRZSA-N 277.327 3.897 30 20 CHED CC[C@H](C)[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424969227 AXBVDADARQGODO-DIECFANBSA-N 284.403 3.625 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(C#N)cc1 45027071 FDBOOKVIQUKYOP-AWEZNQCLSA-N 293.370 3.701 30 20 CHED CC[C@H](C#N)OC(=O)c1sc2ccc(OC)cc2c1C 84697204 JTDHABAPBCOQOK-SNVBAGLBSA-N 289.356 3.677 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCCOc1ccccc1 429865540 KROYXFIZGBWVOD-UHFFFAOYSA-N 275.392 3.516 30 20 CHED CCC[C@H](C#N)NC(=O)c1c(C)c(CC)nc2ccccc12 89527630 HZQSRKBMJCJHBK-CYBMUJFWSA-N 295.386 3.528 30 20 CHED Cc1ccc(CSc2cc(C#N)ccn2)cc1C 192130985 NQNZRNMQOPSCCL-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C=CCCN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 513129303 XDSASKQTAQNVOR-ZDUSSCGKSA-N 268.282 3.937 30 20 CHED CCOC1(C)CCN(c2ccc(Cl)cc2C#N)CC1 291997176 YIFYLUPZVCFZEL-UHFFFAOYSA-N 278.783 3.607 30 20 CHED C[C@@H](C#N)Nc1cc(Cl)ccc1OCC1CCC1 191701070 LSPWTDIWDVQBHD-JTQLQIEISA-N 264.756 3.843 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccccc1 196195758 ZECJITAEJKHUBB-PKNBQFBNSA-N 252.313 3.900 30 20 CHED Cc1ccc(C)c(CSc2nnc(C)c(C)c2C#N)c1 193051566 KEUPHIFAFAVVQG-UHFFFAOYSA-N 283.400 3.874 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c1 333601874 CVGUDGREBQIRDZ-DLBZAZTESA-N 295.386 3.519 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(C(=O)CC)c1 424746844 XUPOXLVVXXYVLX-UHFFFAOYSA-N 259.349 3.820 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(COCC)cc1)OCC 339372660 QACVTMVVTHIBJL-INIZCTEOSA-N 291.391 3.533 30 20 CHED Cc1cnn(-c2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2F)c1 193266455 KZFKUFQUWHZUNE-UONOGXRCSA-N 298.365 3.814 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCC(C)(C)CCC#N 513146117 BWNSZNPANODIQR-CABCVRRESA-N 293.455 3.927 30 20 CHED CCCCCN(CCCCC)C(=O)NCC(C)(C)C#N 512905891 AFFOHSUOULOGOS-UHFFFAOYSA-N 281.444 3.928 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)CC1 511517939 PPVGCXOLFHGALM-ZWKOTPCHSA-N 298.430 3.930 30 20 CHED C[C@@H]1CCC[C@H](C/C(O)=N/[C@H]2CCCc3c[nH]nc32)C1 330101935 FTJGFKLIGCKUNK-DYEKYZERSA-N 275.396 3.960 30 20 CHED CC1(C)CC[C@@H](C(O)=Nc2cnc3c(c2)CCCC3)O1 330115098 FLCXKVNQEMJWPF-AWEZNQCLSA-N 274.364 3.506 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 195252144 NMDQNIAGWAAIFS-MOPGFXCFSA-N 292.382 3.568 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425134042 UCJYZEGHXNJSBJ-IIAWOOMASA-N 284.403 3.904 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 336466056 JTLKBABJVNYEEM-XJKSGUPXSA-N 284.403 3.748 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425469562 SKQVEXBTUAOSPX-FRFSOERESA-N 299.418 3.839 30 20 CHED CC(C)n1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)n1 425532665 JNDGSGRBPAOHOQ-AWEZNQCLSA-N 282.391 3.529 30 20 CHED CC(C)c1cccc(N=C(O)N2CCC[C@H]2CCCO)c1 330873090 SESVZCDXYUYTRN-INIZCTEOSA-N 290.407 3.592 30 20 CHED C=C(Br)CNCc1ccc(C)cc1Cl 235770455 HKDSCNLEBNCHFB-UHFFFAOYSA-N 274.589 3.647 30 20 CHED C=C(C)[C@H](CC(=O)Nc1sc(C)c(C)c1C#N)OCC 339584255 FEPKPUGCLOLHEO-ZDUSSCGKSA-N 292.404 3.546 30 20 CHED Cc1cc(CNC2CCC(C)(C#N)CC2)ccc1F 336227107 DWPLDBZWQLYPFX-UHFFFAOYSA-N 260.356 3.696 30 20 CHED COc1cc(C)sc1/C(O)=N/CC1CCC(C#N)CC1 330398840 CPNYZUIIPLTUSV-UHFFFAOYSA-N 292.404 3.700 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)NCC(C)(C)CCC#N 513140890 KXDZIDPFIYVFPC-OAHLLOKOSA-N 293.455 3.927 30 20 CHED CC(C)CC1(C)CCN(Cc2cc(C#N)n(C)c2)CC1 515557661 YVCMCCMXPQGLSA-UHFFFAOYSA-N 273.424 3.545 30 20 CHED CC[C@H](CC(F)(F)F)Nc1c(C#N)cccc1C#N 436328668 WJHBQNWPKLJSOH-LLVKDONJSA-N 267.254 3.573 30 20 CHED N#Cc1ccccc1COc1ccc2c(c1)C(=O)CCC2 236404116 OIPSGAGFCCSCBB-UHFFFAOYSA-N 277.323 3.656 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1 335954149 UWOONCYMQAYPSI-SCLBCKFNSA-N 277.371 3.681 30 20 CHED Cc1noc(C(C)C)c1/C(O)=N/C[C@@H]1CC[C@@H](C)C1 331062559 CTDXGXKEELIAOT-ZYHUDNBSSA-N 264.369 3.847 30 20 CHED Cc1ccoc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430617825 PGOCTAFYPJMSLT-JTQLQIEISA-N 288.372 3.832 30 20 CHED COc1cccc(Cl)c1C/N=C(/O)N[C@@H]1CC[C@@H](C)C1 331077574 JJKAAVWATUJLDV-GHMZBOCLSA-N 296.798 3.541 30 20 CHED Cc1ccsc1CCCC(=O)NCc1ccc(C#N)cc1 438831522 JZIRIXXOLBSMES-UHFFFAOYSA-N 298.411 3.567 30 20 CHED C=CCCCCCN(C)C(=O)COc1cc(F)cc(F)c1 520295546 LYZOAFSCHXTYQI-UHFFFAOYSA-N 297.345 3.548 30 20 CHED C=CCCCSCCCS(=O)(=O)c1ccc(C)cc1 91618263 GBAFIURBFARLRO-UHFFFAOYSA-N 298.473 3.858 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 430203328 FCGVZGUASNJNIB-MRXNPFEDSA-N 272.392 3.625 30 20 CHED N#CCC[C@@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 343336832 ZFBKWNGECKCMJW-MUDYYLEHSA-N 296.414 3.974 30 20 CHED C=CCN(C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C(C)C 430326908 LATPDMXIEBQLFH-NVXWUHKLSA-N 286.419 3.774 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc2[nH]ccc2c1 342615358 GOYRXGKLJKKZMX-UHFFFAOYSA-N 286.375 3.869 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 345771347 GKCFZKYEIPCBKQ-PBHICJAKSA-N 284.403 3.974 30 20 CHED C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@H](C)CC#N)C1 245788547 WSCTYRPQKVWIDB-BZUAXINKSA-N 294.439 3.560 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1CCCSCC#N 342156635 CFNRMAAQSYPGSA-KBPBESRZSA-N 254.443 3.534 30 20 CHED C[C@@H]1SCCN(CC#Cc2cccc(Cl)c2)[C@H]1C 438100691 MSKACRAFBPIDPZ-STQMWFEESA-N 279.836 3.517 30 20 CHED Cc1ccc(NCCCC2(C#N)CCOCC2)cc1F 347851185 NUUNCTBAGXJUBE-UHFFFAOYSA-N 276.355 3.647 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](Cc2ccccc2)C2CC2)C1 248939320 YQQLQFKIQKWAMD-BPQIPLTHSA-N 268.404 3.680 30 20 CHED N#Cc1c(Cl)cccc1N1CCCC2(CCOCC2)C1 297243629 UWMFAQIEVUZVLM-UHFFFAOYSA-N 290.794 3.609 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(C#N)cn1C(C)(C)C 346910599 FRMVGCRYQVXRKC-TZMCWYRMSA-N 287.407 3.880 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@H](C)CC1(C#N)CCOCC1)CC2 602697166 DCOYQJNLDXVTHN-QAPCUYQASA-N 298.430 3.671 30 20 CHED CCN(CCC#N)c1nc2cc(Cl)cc(Cl)c2o1 432839380 LWZTZQROWKUDRZ-UHFFFAOYSA-N 284.146 3.875 30 20 CHED CC(C)c1cccc(NC(=O)NCC2(CC#N)CC2)c1 431196047 ZOJLLUDGURAHIJ-UHFFFAOYSA-N 271.364 3.625 30 20 CHED C=C(C)CS(=O)(=O)N[C@H](c1ccccc1)C(CC)CC 435440067 ZCUXHQLVEQOGPQ-INIZCTEOSA-N 295.448 3.659 30 20 CHED N#Cc1c[nH]c(C(=O)Nc2cccc(-c3ccccc3)c2)c1 345646527 BDVBFJOFNBWYFW-UHFFFAOYSA-N 287.322 3.806 30 20 CHED COc1cc(C=NOC2CCCC2)ccc1OC(F)F 255102482 YBESJJUNBNKAGP-UHFFFAOYSA-N 285.290 3.590 30 20 CHED CCN(CCC#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 437586164 XRKPIYXFYBHGDX-DLBZAZTESA-N 256.393 3.732 30 20 CHED CC(C)[C@H](C)N(C(=O)CCc1ccc(C#N)cc1)C1CC1 603578873 WEJZKUFTMQHPPZ-AWEZNQCLSA-N 284.403 3.526 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc1F 609640808 UBUZWJZMNJCISO-KRWDZBQOSA-N 288.366 3.727 30 20 CHED CSc1ccc(C(=O)Nc2ccccc2CC#N)cc1 344400965 VYCLBVXZNKURPF-UHFFFAOYSA-N 282.368 3.727 30 20 CHED N#Cc1cc(F)c(N2CCC=C(c3ccco3)C2)c(F)c1 343243748 AOVRXKJAZWAQEV-UHFFFAOYSA-N 286.281 3.723 30 20 CHED C[C@@H](CCC#N)CNC[C@H](C)Oc1cccc(Cl)c1 602567902 OOUMSXIVROKPNI-STQMWFEESA-N 280.799 3.637 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)OCC2(C)C 529159431 ZUHZIRSFXCKZKU-UHFFFAOYSA-N 288.391 3.787 30 20 CHED C[C@@H](CCC#N)CNCC1(c2ccccc2Cl)CC1 602581615 WWVHSVZOOZLDNK-ZDUSSCGKSA-N 276.811 3.901 30 20 CHED O=C1/C(=C\c2cc(F)c(F)c(F)c2)Cc2c(O)cccc21 255572985 ARTZFWPZYQXCAL-WTKPLQERSA-N 290.240 3.632 30 20 CHED N#Cc1ccccc1/C=C/c1nc(Cc2cccs2)no1 609474643 IUBCKCOMXJLNFU-BQYQJAHWSA-N 293.351 3.764 30 20 CHED CCCCN(C(=O)CSCC#N)[C@H](C)c1ccc(C)o1 603619041 ICAUPJKRKYUWCQ-CYBMUJFWSA-N 294.420 3.535 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(F)c1SC 602355193 JVLHIYRBDXMUOO-UHFFFAOYSA-N 280.368 3.816 30 20 CHED CC[C@@H](CC(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 609142405 HWGLGDJIETYDBE-GOEBONIOSA-N 272.392 3.625 30 20 CHED CCCCOc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 442713102 HQXQXOZSSFAAPU-ZBFHGGJFSA-N 272.392 3.647 30 20 CHED Cc1cc(CN[C@@H](C)Cc2ccccc2F)ccc1C#N 443980407 MJMMXWWXZCIZFV-AWEZNQCLSA-N 282.362 3.727 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cc(C(C)C)oc1C 355648166 XAMUUUYMSSWVQS-UHFFFAOYSA-N 297.358 3.877 30 20 CHED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1OC(C)C 442881309 ZEQLYYXSKHUXSJ-UONOGXRCSA-N 258.365 3.886 30 20 CHED C=CCN(C(=O)NCC(C)(C)Cc1ccccc1)C1CC1 539010917 PCBQEIIVZZFXTL-UHFFFAOYSA-N 286.419 3.615 30 20 CHED C=CCC[C@H](NC1CCN(C2CC2)CC1)c1ccccc1 269409962 IUQSWNANAPRWKH-IBGZPJMESA-N 284.447 3.910 30 20 CHED Cc1ccccc1[C@H](CO)Nc1ccc(C#N)c(Cl)c1 531095567 MIJUTLUSNVHZCC-INIZCTEOSA-N 286.762 3.666 30 20 CHED C=CCCCC(=O)N1CCN(C2CC2)c2c(C)cccc21 358501054 ICEJMAUDZYMIJG-UHFFFAOYSA-N 284.403 3.667 30 20 CHED C=CCN(CC=C)C(=O)C1(c2ccc(OC)cc2)CCCC1 448542897 OPILCXGTZXCVID-UHFFFAOYSA-N 299.414 3.708 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H](c2nc3ccccc3o2)C1 602437211 FOZJVOCDAMVKFR-GJZGRUSLSA-N 297.402 3.947 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[C@H]1CCC(C)C 448898686 VVQDAAHPYZYGTO-BBRMVZONSA-N 287.407 3.530 30 20 CHED C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2CC)cc1 448558358 UQXWCUFOTOPOFZ-INIZCTEOSA-N 287.403 3.585 30 20 CHED C[C@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@H](C)C1 354344492 VAGBVZFRHGHSIT-NWDGAFQWSA-N 290.794 3.720 30 20 CHED CCC[C@H](CC)NC(=O)NCc1ccc(C#N)c(Cl)c1 619756990 NBKZLIQUYVOWPK-ZDUSSCGKSA-N 293.798 3.590 30 20 CHED C=CCCCCCN(C)C(=O)Cc1c(F)cccc1F 446048321 TUDMMQMGMLQHGM-UHFFFAOYSA-N 281.346 3.712 30 20 CHED C=C[C@@H](S[C@@H](CC)c1ccccc1)C(=O)OC 619689571 OQZYFLIJIYIAEQ-QWHCGFSZSA-N 250.363 3.599 30 20 CHED CC1(C)CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 619755584 MEYJECPICVZDKD-CYBMUJFWSA-N 262.784 3.880 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N[C@H](CCCC#N)c1ccccc1 352190468 DGFCJQYZPXTDNC-FVQBIDKESA-N 270.376 3.584 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 447581232 SLEQMSHLXFFRQX-DGCLKSJQSA-N 291.391 3.696 30 20 CHED C=CCOCc1nc(-c2ccc(Cl)cc2Cl)no1 445461316 GETQUDQOPIFYKU-UHFFFAOYSA-N 285.130 3.746 30 20 CHED N#Cc1csc(/C=C\c2nc3ccccc3s2)n1 357147581 JNUXGUIWKKBXAG-WAYWQWQTSA-N 269.354 3.795 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCc2ccc(O)c(F)c2)n1 613426471 HORMXPPOORCGAP-UHFFFAOYSA-N 299.349 3.708 30 20 CHED Cc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)c(F)c1 610317515 NDVQZVQBPMBJNX-GFCCVEGCSA-N 297.333 3.889 30 20 CHED COc1ccc(CN(Cc2ccco2)C(C)C)cc1C#N 269700144 YJJJOWKOLXIPGZ-UHFFFAOYSA-N 284.359 3.570 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1ccsc1 455303275 AANOZMKNHKXWNJ-CYBMUJFWSA-N 264.394 3.561 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H](CC)C(C)C)C1 617784077 MWLKAJAMWLNKAZ-CABCVRRESA-N 251.414 3.873 30 20 CHED CC#CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 533028783 ULVMJQFGHBOJLZ-UHFFFAOYSA-N 292.357 3.723 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(C)(CC(F)(F)F)C1 458627862 WTFIRPDIXFGMER-LLVKDONJSA-N 292.345 3.715 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c(C)cccc1OC(F)F 264018740 XJGHWSCYTRMFMI-NSHDSACASA-N 299.317 3.516 30 20 CHED C=CCCCN1CCC(c2ncc(C)s2)CC1 369314525 NXNZCWBMCAKVPU-UHFFFAOYSA-N 250.411 3.597 30 20 CHED C=CCN(CCC#N)Cc1cc(Br)ccc1C 451055658 FGAKBMGDNLDEAY-UHFFFAOYSA-N 293.208 3.659 30 20 CHED C=CC(C)(C)C(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 451973280 QFZUDFBMYPXZPT-HOTGVXAUSA-N 283.415 3.508 30 20 CHED CC(=O)c1ccc(C#N)c(NCCSC(C)(C)C)c1 273259333 XRLYDOJOSGDVIY-UHFFFAOYSA-N 276.405 3.704 30 20 CHED C=CCC1(NC(=O)NC[C@@H]2CCCSC2)CCCCC1 458779075 ZXBWTPFHZHZWFS-AWEZNQCLSA-N 296.480 3.708 30 20 CHED C=CCC1(NC(=O)NCc2cccs2)CCCCC1 457373389 SICFJLSDUJRDMD-UHFFFAOYSA-N 278.421 3.826 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)C(F)(F)[C@H](C)C2)CCCC1 628402803 SCIWJOMJLBYDTP-BETUJISGSA-N 285.378 3.873 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCc1ccc(Cl)cc1 272388832 GRXYTQWVSRDHPS-INIZCTEOSA-N 292.810 3.717 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc(OC(C)(C)C)cc1 453360839 PULFBENQESDCLJ-GDBMZVCRSA-N 291.435 3.842 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)CCc1cccs1)OCC 270057259 SZCWLLMMCMGUHU-HNNXBMFYSA-N 295.448 3.510 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cccc(OC)c1Cl 620864852 QUQOJKJGMYRNGB-UHFFFAOYSA-N 295.810 3.752 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(SC(F)F)cc1 278195208 GMBADJOKFUQZER-UHFFFAOYSA-N 284.331 3.880 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 280602632 QUBURRSNOCYKED-GFCCVEGCSA-N 276.405 3.518 30 20 CHED C=CCCOc1ccccc1-c1ccc2c(c1)CNCC2 629735934 ILYGZFRGTHYGLF-UHFFFAOYSA-N 279.383 3.954 30 20 CHED C[C@@H](OC1CCCCCC1)C(=O)N[C@@](C)(C#N)C(C)(C)C 464159116 QPSIANCIMIYUIH-DYVFJYSZSA-N 294.439 3.559 30 20 CHED CCc1nc2ccccc2c(N2CCC(C#N)CC2)c1C 558446103 QIBVDKLXCXXGLC-UHFFFAOYSA-N 279.387 3.846 30 20 CHED CC(C)(C#N)CCNc1cccc(C(=O)NC(C)(C)C)c1 288763384 SVBHEBBZVGVDNA-UHFFFAOYSA-N 287.407 3.567 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccccc1)C(C)C 464525622 HNQCCTWWRZPMED-KRWDZBQOSA-N 257.377 3.694 30 20 CHED N#CCSCCCN1CCC[C@@H]1/C=C/c1ccccc1 378601017 ZGGFJJPCPJHSSF-OAGJVSPASA-N 286.444 3.811 30 20 CHED CC(C)(C#N)CCSCCC(=O)Nc1ccc(F)cc1 289445556 SPOJYTDRIKGMIK-UHFFFAOYSA-N 294.395 3.827 30 20 CHED C=CCCC(=O)N1CCC(c2c(F)cccc2F)CC1 372466193 UICRLWFFTFLHHB-UHFFFAOYSA-N 279.330 3.637 30 20 CHED C=CCC[C@H](NC[C@H]1CCC[C@@H](CO)C1)c1ccco1 554144908 IOSBBLLIIXFYJW-XHSDSOJGSA-N 277.408 3.675 30 20 CHED C=C(CNC(=O)C1CCC=CCC1)c1ccccc1 635930478 SGOYURPRQSUORO-UHFFFAOYSA-N 255.361 3.562 30 20 CHED Cc1nnc(SCc2sccc2Cl)c(C#N)c1C 282999885 KSMSKGUHDLYFLL-UHFFFAOYSA-N 295.820 3.972 30 20 CHED CN(CCCCC1CCOCC1)Cc1cccc(C#N)c1 281912332 GPIGNIXILFCQRM-UHFFFAOYSA-N 286.419 3.587 30 20 CHED CCCn1ccc2cc(NC(=O)[C@@](C)(C#N)CC)ccc21 285935780 IZRSCFWWRJWSTB-QGZVFWFLSA-N 283.375 3.930 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 281823711 ZSLYEAURDOUJFY-DZGCQCFKSA-N 288.391 3.649 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN[C@H]1CCc2ccc(C#N)cc21 558503773 CFMFZGKENOTLSV-MDASCCDHSA-N 298.430 3.730 30 20 CHED C=CCCCCCCNC(=O)c1ccc(F)c(F)c1F 805221125 LDYNZQZIOILAOH-UHFFFAOYSA-N 285.309 3.970 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCCC#N)c1 291853298 GRANMACCIJLZHT-INIZCTEOSA-N 270.376 3.661 30 20 CHED C[C@H](N[C@H](CO)CCC(C)(C)C)c1ccc(C#N)c(F)c1 479522607 NXIYRXNMDXPZRH-WFASDCNBSA-N 292.398 3.535 30 20 CHED Clc1ccc(-c2noc(NN=CCCC3CC3)n2)cc1 807971005 FIPRSMLIDUXNDI-UHFFFAOYSA-N 290.754 3.978 30 20 CHED N#Cc1cccc(C(=O)OCc2ccc3occc3c2)c1 802852294 SYOXVPXYILKTKT-UHFFFAOYSA-N 277.279 3.661 30 20 CHED N#Cc1sc(Oc2cc(F)cc([N+](=O)[O-])c2)nc1Cl 804562781 LYHIXAYYFCXZOX-UHFFFAOYSA-N 299.670 3.508 30 20 CHED C=CCCCCCCNC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 805254054 YWBGRSFCSZROKP-CVEARBPZSA-N 296.455 3.626 30 20 CHED C#CCC(C)(C)c1nc(C(C)(C)c2ccccc2OC)no1 809485693 BEJHUDVMNXLBSM-UHFFFAOYSA-N 298.386 3.705 30 20 CHED Cc1cccc([C@H](NCCO[C@@H](C)C#N)C(C)(C)C)c1 801938698 HULTXKUJYZTMAM-HOCLYGCPSA-N 274.408 3.601 30 20 CHED C=CCN(CCC#N)C(=O)C1(CC(C)C)CCCC1 293987735 XVTINGONLGWPET-UHFFFAOYSA-N 262.397 3.521 30 20 CHED C#C[C@@H](NCc1c(F)cccc1N1CCCC1)C(C)(C)C 809781398 QBSQQWRUAHHYBW-QGZVFWFLSA-N 288.410 3.563 30 20 CHED N#Cc1c(F)cccc1N[C@H]1COc2ccc(Cl)cc21 474775692 SOSVJOAGSFENKL-AWEZNQCLSA-N 288.709 3.896 30 20 CHED C=CCC1(C(=O)N[C@H]2COc3ccc(Cl)cc32)CCC1 477701381 JFKRYMIKBIAGSC-ZDUSSCGKSA-N 291.778 3.636 30 20 CHED N#CCCCC(=O)N(CC(F)F)c1cccc(Cl)c1 291413118 VVRDHNGMUZAVEL-UHFFFAOYSA-N 286.709 3.632 30 20 CHED C=CCCCCN[C@@H](c1cccs1)C(C)(C)CO 649624425 ZMLOLWSJNLLWEO-AWEZNQCLSA-N 267.438 3.754 30 20 CHED C=CC[C@H](C)NCc1cn(CC)nc1-c1ccccc1 641728385 RIUNVRQCNVBOMG-AWEZNQCLSA-N 269.392 3.624 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 805347266 HMBPZQDFBNWEDQ-QZTJIDSGSA-N 298.430 3.550 30 20 CHED C=CC(C)(C)C(=O)N1CCC(Cc2ccccc2)CC1 294243057 NPHUCJJWGRVOSH-UHFFFAOYSA-N 271.404 3.680 30 20 CHED C#Cc1ccc(CNC2(c3ccccc3)CCC2)cc1 809611823 PYTXXFPWMVUAJA-UHFFFAOYSA-N 261.368 3.837 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]1C 641247222 ZLOMSVDSPLRHHD-JTQLQIEISA-N 299.292 3.505 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1csc(C(C)(C)C)n1 488871078 PIVSTJMIXOYXDW-LLVKDONJSA-N 278.421 3.621 30 20 CHED Cc1cc(N2CC[C@@H](c3ccccc3)[C@H]2C)cc(C#N)n1 561235291 AWXJMAPLKVIRCG-RDTXWAMCSA-N 277.371 3.644 30 20 CHED C[C@H]1SCCC1=NNC(=S)Nc1cccc(Cl)c1 814735990 ITUGUVPVAYFYND-MRVPVSSYSA-N 299.852 3.508 30 20 CHED COc1ccc(NN=Cc2ccc(SC)s2)cc1 814884958 GILHQIZNBVEADE-UHFFFAOYSA-N 278.402 3.925 30 20 CHED C=CCCCCCN[C@@H]1CCCC[C@H]1n1cccn1 488084324 GGNARDNCCOYWQR-HZPDHXFCSA-N 261.413 3.703 30 20 CHED CC(C)c1ccc(NC(=S)N[C@@H]2CC[C@H](C#N)C2)cc1 819022533 QLUHIYMHQAHQRC-SWLSCSKDSA-N 287.432 3.789 30 20 CHED Cc1ccccc1C1(C(=O)N2CCC(CCC#N)CC2)CC1 566273713 DACYGKBFJXGDOK-UHFFFAOYSA-N 296.414 3.569 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CS[C@H](C(C)C)C2)o1 814820522 GYHYVGTZVCHHCH-LBPRGKRZSA-N 292.408 3.599 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](C)c1cc2ccccc2s1 812034315 HFXUJKIEMSXKJO-YPMHNXCESA-N 286.400 3.673 30 20 CHED Cn1c(SCc2cccc(F)c2C#N)nc2ccccc21 488258011 DCIDKKWKRTXPRF-UHFFFAOYSA-N 297.358 3.876 30 20 CHED N#Cc1ccc(NC(=O)C=C2CCCCC2)cc1F 813258893 LSFBRFQQVZSMHR-UHFFFAOYSA-N 258.296 3.526 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C#N)o1 814117867 MVSXMWGISKQPMS-HNNXBMFYSA-N 296.370 3.553 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H]1CCCc2ccccc21 560566438 XZLGSUQBAPGYDI-INIZCTEOSA-N 272.392 3.672 30 20 CHED CC(C)(NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 481714898 VNZWLKXOIGBXJJ-UHFFFAOYSA-N 297.333 3.754 30 20 CHED Cc1c[nH]nc1C=NN=C1c2ccccc2-c2ccccc21 814780162 ZJJQXDKTDPAYEP-UHFFFAOYSA-N 286.338 3.570 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1F 483114849 LMMMUPOPSLNHCO-INIZCTEOSA-N 298.336 3.826 30 20 CHED CON=C1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 811638505 PXEHDEVRHLLLKR-TZMCWYRMSA-N 296.411 3.579 30 20 CHED CCCCCCCC(=O)N1CCC(C2CC2)CC1 816903706 MHYNFGZPLZQRRP-UHFFFAOYSA-N 251.414 3.996 30 20 CHED C=C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 486485885 KMPUIATWROZBDR-JTQLQIEISA-N 298.289 3.741 30 20 CHED C=CCN(CC1CCCCC1)C[C@H](O)Cc1ccccc1 484571640 UMUGECHMISMFPM-LJQANCHMSA-N 287.447 3.658 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2ccco2)CCCCC1 654021088 LGZGEBGFWQKKOJ-ZDUSSCGKSA-N 261.365 3.778 30 20 CHED N#CCC1(OC(=O)CCc2cncc3ccccc23)CCC1 810853949 CUBNXVNBJJCSAF-UHFFFAOYSA-N 294.354 3.547 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl 487098264 GQRPHKMDFNDPPS-MFKMUULPSA-N 296.773 3.553 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ccccc1F)C(=O)N2 812459414 YMPMUTOJHACWSO-UHFFFAOYSA-N 297.333 3.717 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1ccc(N)nc1 814900681 CZCNPTWQRIWFNM-UHFFFAOYSA-N 282.391 3.797 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)N1CCC(CCC#N)CC1 574152927 CXJADESNEYCGEP-NVXWUHKLSA-N 291.439 3.536 30 20 CHED CC[C@H](C)CON=CC1(CNC(=O)OC(C)(C)C)CCC1 814938216 HHUHDFPNHRGQQU-ZDUSSCGKSA-N 298.427 3.730 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3csc(C)n3)c2c1 488263693 MGRSJNNTVVCYKD-UHFFFAOYSA-N 295.367 3.759 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)c(OC)c1 728231964 OWAAPZSXQKKEGE-WEVVVXLNSA-N 298.338 3.614 30 20 CHED COc1cc(C)ccc1CNc1ccccc1O[C@@H](C)C#N 824134666 KAPVUAOSAISYAM-AWEZNQCLSA-N 296.370 3.907 30 20 CHED CC(C)(CCC#N)CNC(=O)C12CC3CC(CC(C3)C1)C2 570958058 ODQCTRGQSPIIEL-UHFFFAOYSA-N 288.435 3.649 30 20 CHED C=CCCCCNC(=O)[C@H](CC=C)c1ccccc1 490204838 VMGQCIJNJCLLOZ-MRXNPFEDSA-N 257.377 3.819 30 20 CHED C=CCC[C@@H](N[C@@H]1CCN(C(C)(C)C)C1)c1ccco1 658095479 HRDGWSAWZQMLPP-HUUCEWRRSA-N 276.424 3.749 30 20 CHED C=CCC[C@H](C)NCC[C@@]1(C)CC1(Cl)Cl 824971042 NXJJBEYTYPIVHK-QWRGUYRKSA-N 250.213 3.905 30 20 CHED C=C(C)CNC(=S)N(c1ccccc1C)C(C)C 729821371 KEWBRXMXPQXIIL-UHFFFAOYSA-N 262.422 3.660 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C/c2ccsc2)s1 491152835 WBCZCPZDXHEYDL-ONEGZZNKSA-N 288.397 3.896 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)NC(C1CCCC1)C1CCCC1 825909665 FKKQWBADEPCJBG-UHFFFAOYSA-N 299.418 3.674 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc(C(F)(F)F)cn1 821035888 VIWKJEQEKBEXJK-UHFFFAOYSA-N 287.281 3.746 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1 822836679 JKWRNGORGIHYFQ-HLLBOEOZSA-N 282.387 3.678 30 20 CHED C=CC[C@H](CC)NC(=O)NCC[C@H](C)c1ccccc1 494585034 IXEAQSPYHRTMLJ-HOCLYGCPSA-N 274.408 3.834 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2ccc(C#N)cc2)c1C 493904395 DGAXFUWWAJTBHI-UHFFFAOYSA-N 293.370 3.839 30 20 CHED C[C@@H]1Cc2ccccc2N1Cc1ccc(OCC#N)cc1 729266686 CLPISFPHDJOONH-CQSZACIVSA-N 278.355 3.540 30 20 CHED CCOC1CC(CSCc2ccc(C#N)cc2C)C1 586750093 YYNGZUOCGOKPFI-UHFFFAOYSA-N 275.417 3.915 30 20 CHED CC#CCCCC(=O)OCCCCC1(C#N)CCC1 909179976 OIQODMQCZXKBLI-UHFFFAOYSA-N 261.365 3.587 30 20 CHED N#CC1(CCCCOC(=O)Cc2ccc(F)cc2)CCC1 908702019 HBMOGJORBMYXAA-UHFFFAOYSA-N 289.350 3.776 30 20 CHED CC(C)(C)OCc1cccc(NCc2cc(C#N)ccn2)c1 901456891 PUVDILLIRZDQFU-UHFFFAOYSA-N 295.386 3.880 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1N[C@H](C)COC 907951112 WUYXLMIQEVDFRJ-CYBMUJFWSA-N 290.407 3.674 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc2c(c1)CCO2 735615856 YZMSSGUFQDESFU-UHFFFAOYSA-N 288.297 3.736 30 20 CHED Cc1ccccc1-c1nnn(CCCCC2(C#N)CCC2)n1 901350464 GKERQFVDEAKUBB-UHFFFAOYSA-N 295.390 3.513 30 20 CHED CC(C)N(CCC#N)C(=O)/C=C/c1ccc(Cl)cc1 491402949 VZFNUNIFWHTOCF-RMKNXTFCSA-N 276.767 3.504 30 20 CHED C=CC1CCN(C(=S)Nc2ccc(F)cc2F)CC1 731941731 AOCVWQQWRCONKJ-UHFFFAOYSA-N 282.359 3.560 30 20 CHED C#C[C@H](NC(=O)N1[C@H](C)CC[C@H]1C)c1ccc(Cl)cc1 820566043 ZFZCBWJEDZHIMX-JMSVASOKSA-N 290.794 3.597 30 20 CHED CC(C)CC[C@@H](NC(=O)CC(C)(C)C#N)C(C)(C)C 498356701 VBNGMJOHMRTMLC-CYBMUJFWSA-N 266.429 3.893 30 20 CHED C=CCC[C@H](CC)N[C@@H](C(=O)O)c1cc(C)cc(C)c1 901530465 HTQAUORPQYYNRG-JKSUJKDBSA-N 275.392 3.764 30 20 CHED N#CCc1cccc(NC(=O)N2CCC3(CCCC3)C2)c1 836763108 NNNUYBLOBKXVEO-UHFFFAOYSA-N 283.375 3.551 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1CCC=C)C(C)C 836598974 DPNBDBXCGUDLOA-OAHLLOKOSA-N 270.376 3.585 30 20 CHED C#CCOc1ccc(NC(=S)Nc2ccccc2)cc1 730952324 VTCJKGVHEFCROB-UHFFFAOYSA-N 282.368 3.508 30 20 CHED CC(C)c1ccoc1C(=O)N[C@H](C)c1cccc(C#N)c1 585699666 ATNVBJCOVDQCNH-GFCCVEGCSA-N 282.343 3.766 30 20 CHED C=CCCC[C@@H](C)NC(=O)CC[C@H]1CC1(Cl)Cl 831732490 KOELVRAHTHWIQM-MNOVXSKESA-N 278.223 3.821 30 20 CHED CCn1cc(C=NN[C@H](C)C(F)(F)F)c2ccccc21 834996901 XHPBNJLOXSRMIZ-SNVBAGLBSA-N 283.297 3.536 30 20 CHED C[C@H](C#N)OCCN(C)[C@H]1CCCC[C@H]1c1ccccc1 839652081 YZEJWRMTMBYBGQ-NJAFHUGGSA-N 286.419 3.573 30 20 CHED Cc1ccc(OC(F)F)c([C@H](C)NCC2(C#N)CC2)c1 903102109 SIVXZISOSPCUBO-NSHDSACASA-N 280.318 3.551 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)Cc2ccc(C)s2)c1 737440595 MKINHZURFOCHTN-JDAJCMJVSA-N 289.400 3.821 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cc(C#N)ccc1NC 586818110 NIQXECRWSNMZJI-NSHDSACASA-N 273.380 3.611 30 20 CHED CCO[C@@H]1CC(=NNc2cccc3cnccc23)C1(C)C 736430890 LYOIGAKRUQEWHH-MRXNPFEDSA-N 283.375 3.838 30 20 CHED C=CC[C@H](NC(=O)NCCCCCC)c1ccncc1 734652781 RVSXHNLEHPMQEC-HNNXBMFYSA-N 275.396 3.578 30 20 CHED C=C(C)CN(C)C(=O)NCCC(C)(C)c1ccccc1 679286867 VCQURVWMFZCQHN-UHFFFAOYSA-N 274.408 3.572 30 20 CHED C=CCC[C@@H](NC(=O)OC1CCC1)c1ccccc1 830912920 AGJQRVWWIWNDPD-OAHLLOKOSA-N 259.349 3.973 30 20 CHED CC(CCCc1cccnc1)=NN[C@@H]1C[C@H]2CC[C@H]1C2 834969520 VQCZLFDVYNEADO-YESZJQIVSA-N 271.408 3.558 30 20 CHED CC#CCCCCOC(=O)c1cc2ccncc2s1 835310121 ASJDSHLOIQOFSR-UHFFFAOYSA-N 273.357 3.647 30 20 CHED CCCCCCCC(=O)NC[C@@H](C)N1CCCC[C@H]1C 915298391 LYVHETLVPUKONY-HZPDHXFCSA-N 282.472 3.726 30 20 CHED CCC(=NNc1nc2ccccc2[nH]1)c1ccc(OC)cc1 915915706 ZAKHPJGVNHXBIE-UHFFFAOYSA-N 294.358 3.798 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cc(F)c(O)c(F)c1)C2=O 749891440 KDGXXOOFRNMFDV-LFYBBSHMSA-N 286.277 3.801 30 20 CHED CCOc1cc(C=NNc2ccccc2CC)ccc1O 915051758 QFRRIXQKMWVVJI-UHFFFAOYSA-N 284.359 3.799 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)C)cc1 591238655 OTBGPDMQJMUZNY-MRXNPFEDSA-N 287.403 3.902 30 20 CHED CCCCCCCC(=O)OCC(=O)N[C@H]1CCCC[C@H]1C 919222232 QHQLZZVKPBVZFY-CABCVRRESA-N 297.439 3.585 30 20 CHED Fc1cccc(NN=Cc2cccc(OC(F)F)c2)c1 747049818 WGGCLDRDTKMYJO-UHFFFAOYSA-N 280.249 3.873 30 20 CHED FC(F)(F)c1ccc(CNN=Cc2ccccc2)cc1 915972421 MNQVNKKQNPBKMG-UHFFFAOYSA-N 278.277 3.829 30 20 CHED C=CCCC(=O)OCc1ccccc1OCC(F)(F)F 744921600 RQYDXMSDDKWAID-UHFFFAOYSA-N 288.265 3.637 30 20 CHED CCO[C@@H]1CC(=NNc2c(C)cccc2C(C)C)[C@H]1OC 841639026 IXEDYWPNXSRJQW-NVXWUHKLSA-N 290.407 3.710 30 20 CHED C[C@H](NC(=O)C1CCC2(CC1)CC2)c1ccc(C#N)cc1 596742140 RPLZILGVMVPFRE-ZDUSSCGKSA-N 282.387 3.706 30 20 CHED C=CCCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 919667934 FIADIJZSWLATPG-UHFFFAOYSA-N 290.750 3.567 30 20 CHED CC(=NN(C)[C@@H](C)CO)c1ccccc1SC(C)(C)C 842539955 FBTOXCDHBROHIE-LBPRGKRZSA-N 294.464 3.614 30 20 CHED C[C@@H](C#N)N(Cc1csc(Cc2ccccc2)n1)C1CC1 595713062 FCJYPNYDSAOZII-ZDUSSCGKSA-N 297.427 3.610 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)c1ccccn1 748085655 LQGFJMRRSLRMMW-UHFFFAOYSA-N 287.366 3.872 30 20 CHED Cc1ccc(CC(=NNc2cc(C)ncn2)C(C)C)cc1 741459547 CTRROEZQXKCAMV-UHFFFAOYSA-N 282.391 3.760 30 20 CHED Cc1cc(C)nc([S@](=O)CCC2(C#N)CCCCC2)c1 591247704 AVICVIOESMFYDE-HXUWFJFHSA-N 290.432 3.670 30 20 CHED N#CC[C@H](CC(=O)NC1(C2CCC2)CC1)c1ccccc1 593308106 ZFJVSJWSEDYPID-OAHLLOKOSA-N 282.387 3.523 30 20 CHED C=C[C@@H](C)ON=C(C)c1ccc(Cl)c([N+](=O)[O-])c1 844623663 PQLQVMGGBJVCJL-MRVPVSSYSA-N 268.700 3.563 30 20 CHED Cc1ncsc1/C=C1\Cc2c(Cl)cccc2C1=O 742433048 NJFOKBSVSCKGLN-RMKNXTFCSA-N 275.760 3.927 30 20 CHED CCCOCc1ccccc1C/N=C/c1cccc(O)c1O 915981297 PFKFFDDPYDRVSO-XDHOZWIPSA-N 299.370 3.644 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1CC[C@@H](C2CCC2)C1 840392073 SLEUPJUJXWZMEV-LLVKDONJSA-N 295.308 3.598 30 20 CHED CC(=NN(C)C[C@@H](C)O)c1ccccc1SC(C)(C)C 841650811 PPAOOVYBLZJJSV-GFCCVEGCSA-N 294.464 3.614 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1c(F)cccc1F 924722071 QSNATNSYCRWVIN-MNOVXSKESA-N 266.335 3.944 30 20 CHED COc1ccccc1C=NOCCCOCc1ccccc1 758763983 LGWKIAFEENHDCS-UHFFFAOYSA-N 299.370 3.653 30 20 CHED CCC(CC)NN=Cc1coc(-c2ccc(C)cc2)n1 755731325 QSIWVODSVHZDNG-UHFFFAOYSA-N 271.364 3.762 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1ncnc2sccc12 751135101 RAQDGZKXWBZMOL-SNVBAGLBSA-N 294.383 3.700 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1SC(F)F 757191987 YDQOKUXNIYCXJK-MRVPVSSYSA-N 272.320 3.697 30 20 CHED CCCCCCCNC(=O)Nc1ccc2c(c1)CCN2 859695753 DANSZUCRSCKIKY-UHFFFAOYSA-N 275.396 3.747 30 20 CHED C=CCCC1(C(=O)N2Cc3ccccc3OC(C)(C)C2)CC1 685207237 SMUZMNFZOFHTSP-UHFFFAOYSA-N 299.414 3.933 30 20 CHED CSc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1 757467390 FEXLMUBEUKMBGL-XBXARRHUSA-N 286.352 3.716 30 20 CHED COc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cn1 920942718 BZJRLRJUDKMWHG-UHFFFAOYSA-N 297.141 3.853 30 20 CHED N#CC1(CC(=O)OCc2ccc3c(c2)CCO3)CCCCC1 850823335 JQEGIZOZEKDYDN-UHFFFAOYSA-N 299.370 3.529 30 20 CHED C#CCOCCC(=O)Nc1ccc(-c2ccccc2)cc1C 755488689 XXKYPJRDAOTKMK-UHFFFAOYSA-N 293.366 3.640 30 20 CHED Fc1ccccc1-c1ccc(C=NNC2CC2)s1 758132519 GCYJOUAVUCKGCM-UHFFFAOYSA-N 260.337 3.640 30 20 CHED C(=NNc1nncc2ccccc12)[C@@H]1CCc2ccccc21 755491324 QRXYDVKUBHQLQW-HNNXBMFYSA-N 288.354 3.758 30 20 CHED C#CCCCC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 757885864 MOZOCBDEUWHFGA-UHFFFAOYSA-N 294.398 3.677 30 20 CHED Fc1ccccc1C=NNc1nc(C(F)(F)F)cs1 755904209 NDIDFUVUMHHIPY-UHFFFAOYSA-N 289.257 3.747 30 20 CHED CC(=NNc1cc(C#N)ccc1Br)C1CCC1 853395868 NQEBIXUMLKGLSU-UHFFFAOYSA-N 292.180 3.909 30 20 CHED C#CCCCC(=O)N[C@H](c1ccc(CC)cc1)C(C)C 757875959 CKALCGBMPABKNJ-SFHVURJKSA-N 271.404 3.866 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1ccc(C(F)F)nc1 853349852 KAYUHQGDSKTVOE-JTQLQIEISA-N 269.339 3.767 30 20 CHED OCc1ccc(C=NNc2cc(Cl)ccc2Cl)o1 751894821 BSVUWFHPAREKGL-UHFFFAOYSA-N 285.130 3.525 30 20 CHED C#CCCCCC(=O)Nc1nc2ccccc2n1C(C)C 855858970 MJVVAKKXRXAUTI-UHFFFAOYSA-N 283.375 3.749 30 20 CHED C#CC[C@H](NC(=O)CCCCCC)c1ccccc1 757595530 ASVAYWMEYBWWAR-INIZCTEOSA-N 257.377 3.838 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 935307097 FWDYHPPDOSWAPZ-UKRRQHHQSA-N 289.423 3.560 30 20 CHED Clc1ccc(NN=Cc2cnc(C3CCC3)s2)nc1 853437821 VAGVIBLLCNSWSM-UHFFFAOYSA-N 292.795 3.905 30 20 CHED C=C(Br)CSc1ncc(C(C)C)[nH]1 863364347 LBDGCFZVRKGGGO-UHFFFAOYSA-N 261.188 3.534 30 20 CHED Cc1nc(-c2ccccc2)[nH]c1C(=O)/C=C/c1cncs1 767720615 GOGQQIPPDGWTOB-BQYQJAHWSA-N 295.367 3.738 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc2c(cnn2C(F)F)c1 935017151 KTBHEVSULCJMMB-SNVBAGLBSA-N 293.317 3.972 30 20 CHED C#C[C@@H](OC(=O)c1cc2cc(F)ccc2s1)C1CC1 767530011 ZFUWZBRZLIXPCK-GFCCVEGCSA-N 274.316 3.609 30 20 CHED COc1ccc(C=NNCc2cccc(Cl)c2)s1 763178921 HVGIVYQTGALRSA-UHFFFAOYSA-N 280.780 3.534 30 20 CHED C#CCCn1c(COc2ccc(C)cc2)nc2ccccc21 760330224 BUBUPYBIQUMOPX-UHFFFAOYSA-N 290.366 3.947 30 20 CHED C=CCC1(N[C@@H]2CCc3cccnc3CC2)CCCC1 865629728 NUWBAWIMLNVAAE-MRXNPFEDSA-N 270.420 3.808 30 20 CHED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1csc(C(C)C)n1 768784127 LQXSXGJQLYJTRZ-RWMBFGLXSA-N 277.437 3.769 30 20 CHED C=C(CC)CNC(=O)c1ccc(SC(F)(F)F)o1 868792005 YVZDYMFJYQUOJD-UHFFFAOYSA-N 279.283 3.588 30 20 CHED C[C@@H](CC(=O)O[C@H](C)CC(C)(C)C#N)c1ccco1 860870047 KDBWBYRJXFPESW-NWDGAFQWSA-N 263.337 3.645 30 20 CHED CCC(C)(CC)c1nnc(COc2ccc(C#N)cc2)o1 1118076905 RYXMPCMNRCFDHD-UHFFFAOYSA-N 285.347 3.598 30 20 CHED COc1ccc(NCc2scnc2C2CC2)cc1C#N 865295545 HQJCWCBLBCRXOS-UHFFFAOYSA-N 285.372 3.513 30 20 CHED Cc1cc(C(=O)Oc2ccc(C#N)cc2F)c(C)s1 769739340 HOAQRPLVHCDNSH-UHFFFAOYSA-N 275.304 3.595 30 20 CHED CC1CC(C#N)(C(=O)O[C@H](C)c2cc(F)ccc2F)C1 767431231 OWWTXONGWVGZKT-KGXJWFGYSA-N 279.286 3.509 30 20 CHED C=C[C@H](CC(=O)NN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 773394419 XGVXWRQUYDBIJB-HRCADAONSA-N 286.419 3.640 30 20 CHED CC[C@@H](NC1CCC(C)(C#N)CC1)[C@H](O)c1ccccc1 872132427 HPOPSKJDZNNTBZ-QLOLRVAOSA-N 286.419 3.561 30 20 CHED Cc1cc(C(=O)/C=C/c2nc3c(s2)CCCC3)ccc1O 776263204 BVYNDWSBWYYVNP-CMDGGOBGSA-N 299.395 3.932 30 20 CHED C=CC[C@H](C(=O)O[C@H]1C=CCCC1)c1ccccc1 778418100 KMVZYZXECFEYMG-HOTGVXAUSA-N 256.345 3.998 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(C(C)=O)cc2)CCC1 876465496 QTMXIBRXRSAJLZ-UHFFFAOYSA-N 271.360 3.598 30 20 CHED C#CCCCCNC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 777590276 DENWLJWEQWSOLX-GOSISDBHSA-N 298.430 3.900 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1N1CCCC1 874946056 SRKNBIDKPWPDQN-UHFFFAOYSA-N 297.402 3.618 30 20 CHED N#Cc1cc(F)ccc1CSCC(F)(F)C(F)F 773433044 MRJRSOUMLVRSPB-UHFFFAOYSA-N 281.249 3.831 30 20 CHED C=C(C)CNC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 777833827 KVPDHSTWVOQEMV-FLIBITNWSA-N 283.293 3.801 30 20 CHED N#Cc1ccc(-c2nnc(/C=C\c3ccccc3F)o2)cc1 1117242735 ISFWSGNZEKHHAA-KTKRTIGZSA-N 291.285 3.918 30 20 CHED COC(=O)c1cccc(NN=Cc2ccccc2C2CC2)c1 779826794 QINVSNSOFSYKAS-UHFFFAOYSA-N 294.354 3.797 30 20 CHED COCCC(=NN[C@H]1CCCCC1(C)C)C(C)C 773124223 JJPBQYPKVYPXCC-AWEZNQCLSA-N 254.418 3.593 30 20 CHED C#CCCCN[C@@H]1CC=C(c2ccc(F)cc2)CC1 779400704 UWLZKDAZRDFRIC-QGZVFWFLSA-N 257.352 3.765 30 20 CHED COc1cc(/C=C2/CCc3cc(O)ccc3C2=O)ccc1C 773139683 MUWQJWBAMMLFJH-DHDCSXOGSA-N 294.350 3.922 30 20 CHED C#CCCN[C@@H](C)c1ccc(OCCCC)c(OC)c1 775181285 MCCXBOSDPOFTHL-AWEZNQCLSA-N 275.392 3.548 30 20 CHED C#Cc1ccc(COC(=O)c2ccc3ncccc3c2)cc1 1122962635 CVYDCFLXBOBSSE-UHFFFAOYSA-N 287.318 3.573 30 20 CHED CC(C)CC1(C(=O)OCCC(C)(C)C#N)CCC1 776396383 HJXMFUZZXZTGJZ-UHFFFAOYSA-N 251.370 3.686 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2cccc(CC#N)c2)[C@@H]1C 1127768379 ZZDQJOFTOFLQES-IOASZLSFSA-N 271.360 3.734 30 20 CHED CCn1c(C)cc(C(=O)OCCCC(C)(C)C#N)c1C 782150164 MFKWDXQCFWCHKX-UHFFFAOYSA-N 276.380 3.612 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 780754585 GLMIZJVHESCHSF-KGUUONHRSA-N 281.399 3.884 30 20 CHED CSc1cc(C)c(C(=O)O[C@H](CC#N)c2ccco2)o1 1123370187 RXYXKUNLNKETHC-LLVKDONJSA-N 291.328 3.715 30 20 CHED N#CC[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccco1 1123461274 AAPZGCSMDCFOGA-AWEZNQCLSA-N 286.331 3.642 30 20 CHED C=C[C@@H](C(=O)N1CC2(CCC2)[C@H]1C1CC1)c1ccccc1 1123787862 PTXVHZCKPQTLNL-IAGOWNOFSA-N 281.399 3.747 30 20 CHED CC(=NNc1nc2ccccc2cc1C)[C@]1(C)CCCO1 782267435 IGMSIYZIYXAOET-KRWDZBQOSA-N 283.375 3.900 30 20 CHED CCC1(C=NNc2nc3ccccc3s2)CCOCC1 781115218 JSFFTLZRMMLLTR-UHFFFAOYSA-N 289.404 3.901 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnn(CC(C)C)c1C1CC1 880005983 GDZIPYHWJMSEKM-UHFFFAOYSA-N 289.423 3.957 30 20 CHED C=CCCCCCN1C(=O)CS/C1=C\C(=O)C(C)(C)C 783008246 UZIRMXDZSALLFJ-PTNGSMBKSA-N 295.448 3.765 30 20 CHED Cc1cc([C@@H](C)Nc2cccc(C#N)n2)c(C)s1 81595870 UIOZZEMLUKEYOL-SNVBAGLBSA-N 257.362 3.805 30 20 CHED C#Cc1ccc(NCc2ccc(O[C@@H](C)COC)cc2)cc1 898498108 GOQHCVSYLYRCPG-HNNXBMFYSA-N 295.382 3.694 30 20 CHED N#Cc1ccncc1NCc1cccc2ccccc12 83432423 YHAGOIPELCDDDM-UHFFFAOYSA-N 259.312 3.719 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccc(O)cc1 782303454 ZLTIRBQNPYNETD-FPLPWBNLSA-N 271.341 3.622 30 20 CHED C=C1CC(c2noc([C@@H](C)Oc3ccc(C)cc3)n2)C1 896890114 HOZXIDNYSVDXDL-GFCCVEGCSA-N 270.332 3.952 30 20 CHED CCC1=C(C(=O)O[C@H](C)c2cccc(C#N)c2)CCCO1 784926116 BXEMFGZHAGEFSX-GFCCVEGCSA-N 285.343 3.637 30 20 CHED C#CCN(C)C(=O)Nc1ccc(CCCCC)cc1 788030956 ZOAWSLFYLUTWFN-UHFFFAOYSA-N 258.365 3.516 30 20 CHED N#CC1(C(=O)Nc2nsc3ccccc23)CCCCC1 892434869 QDNBGYQYDREUNW-UHFFFAOYSA-N 285.372 3.709 30 20 CHED C#C[C@H](NC(=O)N(Cc1ccccc1)CC(C)C)C(C)C 798551455 BBIHPMORHSUUTE-KRWDZBQOSA-N 286.419 3.512 30 20 CHED CCCCC[C@H](C)NC(=O)c1cc(C#N)ccc1Cl 795035525 FFUUJFFROQMHGC-NSHDSACASA-N 278.783 3.910 30 20 CHED C=CC1CCN(Cc2ccc(F)c(Br)c2)CC1 600682931 CRGSTPABFUIDKZ-UHFFFAOYSA-N 298.199 3.986 30 20 CHED CC(C)[C@@H](C=NOCC(F)(F)F)c1ccccc1 794524371 XQQRCCDTFUDLAB-GFCCVEGCSA-N 259.271 3.991 30 20 CHED Fc1ccc(NN=C2CCC[C@H]2c2ccccn2)cc1 794863005 XWFRTSHLRUPOJQ-AWEZNQCLSA-N 269.323 3.956 30 20 CHED N#Cc1ccc(C(=O)Nc2ccsc2Cl)cc1 187886142 OAWNYABSCOKEAB-UHFFFAOYSA-N 262.721 3.525 30 20 CHED CCN(C)c1ccc(C=NNc2ccc(Cl)cc2)cn1 790136939 ZBQBIMIPYILELP-UHFFFAOYSA-N 288.782 3.637 30 20 CHED CCCC[C@H](CC)C(=O)N(C)c1cccc(C#N)c1 59095729 FLNBCQIPYVJVMJ-AWEZNQCLSA-N 258.365 3.737 30 20 CHED COc1ccc(NN=C[C@H](c2ccccc2)C(C)C)nc1 794535571 JWKVHBWWJXDSBA-INIZCTEOSA-N 283.375 3.928 30 20 CHED N#CC1(NC(=O)CCc2ccccc2Cl)CCCCC1 60855434 QWQZFGBQDJVRPP-UHFFFAOYSA-N 290.794 3.615 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1C[C@H](c2ccccc2F)C1 797785004 QNUXJWQKGVONJL-SSHYQHQUSA-N 299.345 3.905 30 20 CHED Cc1cnc([C@@H](C)OC(=O)C[C@H](CC#N)c2ccccc2)o1 795985678 MEEWUZDPHVWOLA-HIFRSBDPSA-N 298.342 3.675 30 20 CHED COc1ccc2oc(C(C)=NOCCSC)c(C)c2c1 794576942 LGNCTJIQDOWSHA-UHFFFAOYSA-N 293.388 3.853 30 20 CHED C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1cccs1 192839340 DHLZVONWGILKRT-LLVKDONJSA-N 285.372 3.697 30 20 CHED C#C[C@@H](NC(=O)c1cc(Cl)ccc1SCC)C(C)C 799048438 JUXNDDVTEHQGJW-CYBMUJFWSA-N 295.835 3.840 30 20 CHED C=CCCOC(=O)c1ncccc1Oc1ccccc1 799559585 HSNYQKRQSOGUOT-UHFFFAOYSA-N 269.300 3.607 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNc1cncc(Cl)n1 797401880 OQKZQBCTXAULFD-VHSXEESVSA-N 266.776 3.744 30 20 CHED COc1cccc2cc(C(C)=NOCCSC)oc12 794574830 RLPRMWMVZLWEBT-UHFFFAOYSA-N 279.361 3.545 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1coc(C(C)C)n1 799467177 GAPQBZOYFIZVID-UHFFFAOYSA-N 283.335 3.510 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 1154486261 RNQWCJRNQDNASL-ZWKOTPCHSA-N 298.430 3.654 30 20 CHED CCc1ccc(C2CCN(c3ncccc3C#N)CC2)cc1 1307179084 MZERHTSJHGIDCD-UHFFFAOYSA-N 291.398 3.900 30 20 CHED Cc1cnc(CSCc2ccc(C#N)cc2Cl)nc1 1327133655 LNWQOKCGEMKRMA-UHFFFAOYSA-N 289.791 3.744 30 20 CHED COc1cc(-c2nnc(-c3ccc(C#N)cc3)o2)ccc1C 1322892503 JNTKDNIWIVFOSR-UHFFFAOYSA-N 291.310 3.592 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccn(C(C)C)c1C 1337557754 GIHBNQHSOZGWCA-OAHLLOKOSA-N 274.408 3.948 30 20 CHED C=C(C)CCC(=O)Nc1ccc(-c2ncco2)cc1C 1335960663 JZDRPEFQSLAXOO-UHFFFAOYSA-N 270.332 3.945 30 20 CHED CC(C)C[C@H]1CCCC(=NNCC2CCOCC2)C1 1256376880 QHYGFHSPJOAMBS-OAHLLOKOSA-N 266.429 3.595 30 20 CHED Cc1nc(C#N)cc(N2CCc3cc(C(C)(C)C)ccc32)n1 1186203284 NTFFQHMOJSCGFE-UHFFFAOYSA-N 292.386 3.648 30 20 CHED CCc1ccccc1-c1nnc(-c2ccc(C#N)cc2)o1 1331863608 IDYVHVXNAAZJIF-UHFFFAOYSA-N 275.311 3.838 30 20 CHED COc1cc(C)nc(CSCc2ccc(C#N)cc2)c1 1337307306 FXCRGKWPJCEENS-UHFFFAOYSA-N 284.384 3.704 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](CC#N)c1ccco1 1347949349 VFDDOGFMKISNEM-AWEZNQCLSA-N 259.305 3.546 30 20 CHED Cc1cscc1NC(=O)[C@@H](CC#N)c1ccccc1 1519194812 PSKMTVKUNUXYDW-ZDUSSCGKSA-N 270.357 3.693 30 20 CHED CCN(C[C@H](C)C#N)c1nc2c(C)c(C)ccc2s1 1458223269 TZEHXRBHMYQMEM-SNVBAGLBSA-N 273.405 3.899 30 20 CHED C[C@@H](CNC(=O)[C@H](CC#N)c1ccccc1)c1ccccc1 1458777929 NKWJKDOUYMRUGI-MAUKXSAKSA-N 292.382 3.604 30 20 CHED C=C(CC)C(=O)Nc1cccc(C(F)(F)F)c1C 1521254598 FKVBJBCLHYKRAD-UHFFFAOYSA-N 257.255 3.919 30 20 CHED CC[C@H](CC(C)C)C(=O)O[C@H](CC#N)c1ccco1 1520425540 WNLZQCSRRUVCCX-TZMCWYRMSA-N 263.337 3.850 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CCCC(F)(F)C1 1527618828 ODGQLDBZXSGKNQ-CHWSQXEVSA-N 286.366 3.705 30 20 CHED Cc1ccccc1C1(C(=O)Nc2cc(C#N)ccc2F)CC1 1528456917 UDKMLUGAHBTLGR-UHFFFAOYSA-N 294.329 3.676 30 20 CHED CC[C@H]1CCCC1=NNc1cccc(C(=O)O)c1F 1609943572 BWRIBPPRUOUYFC-VIFPVBQESA-N 264.300 3.502 30 20 CHED C#CCCCCC(=O)N(CC(C)C)C(CC)CC 120245798 MBWSFVBCDPSXAS-UHFFFAOYSA-N 251.414 3.853 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C)c1ccccc1 1564052494 SWZJMHMACIDLAW-CKEIUWERSA-N 286.419 3.824 30 20 CHED CCCc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 1583559586 OUNZOHWENMBQBQ-HOCLYGCPSA-N 271.360 3.878 30 20 CHED C=C(CC)CN[C@@](CC)(C(=O)O)c1ccc(Cl)cc1 1588607082 RXAJYCSVUBYUNU-OAHLLOKOSA-N 281.783 3.586 30 20 CHED CCCC1CCC(Nc2ncc(C#N)cc2F)CC1 1650676740 LHPRFIQDEYEYPJ-UHFFFAOYSA-N 261.344 3.863 30 20 CHED C[C@H]1OCC[C@H]1CSc1ccc(Cl)cc1C#N 1651842253 FOROMSYULUSJFO-ZJUUUORDSA-N 267.781 3.729 30 20 CHED C[C@H](SCc1ccc(-c2ccccc2C#N)cc1)C(=O)O 1593661582 HLZNBSDOSZPQHO-LBPRGKRZSA-N 297.379 3.932 30 20 CHED C=CC[C@@H](C)NCc1c(OC)ccc2ccccc12 134747650 PKABJPJNAFFJLA-CYBMUJFWSA-N 255.361 3.903 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1C(=O)O 1776114389 OGCVNSOJOWKHPW-UITAMQMPSA-N 296.322 3.598 30 20 CHED Cc1c(NN=C2CC[C@@H]2CC(C)C)cccc1C(=O)O 1776089625 ALKMIWHSSSITGE-GFCCVEGCSA-N 274.364 3.917 30 20 CHED N#Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 5749940 OVCVTRIKKQQNGX-UHFFFAOYSA-N 280.371 3.713 30 20 CHED C=CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 161539886 NATPFOXDBMBPFZ-DLBZAZTESA-N 265.356 3.588 30 20 CHED C=CCN(CC=C)Cc1ncc(-c2ccccc2)s1 156092178 OZNZANUKUNAAHO-UHFFFAOYSA-N 270.401 3.984 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)N[C@H](CC)CC#N)cc1 157266167 ZGGFKEBGGFVPAC-QWHCGFSZSA-N 289.379 3.678 30 20 CHED C=CCC[C@H](NC(=O)NCC(=C)C)c1ccccc1 156794691 ULEORWUQXZPULM-HNNXBMFYSA-N 258.365 3.569 30 20 CHED C[C@H](c1ccccc1F)N(C)c1nccc(C#N)c1Cl 235182700 ZETBCYYOFBFGFN-SNVBAGLBSA-N 289.741 3.943 30 20 CHED COc1cc(CNc2ccc(Cl)cc2)ccc1C#N 234904160 NOABJEFLNHMSML-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)C1CCC1 1162994490 HDFFZDQMLSIBMA-LLVKDONJSA-N 257.381 3.851 30 20 CHED N#Cc1ccc(CNCc2ccc(C(F)(F)F)cc2)s1 135673903 NOQOQCYONHHXOD-UHFFFAOYSA-N 296.317 3.928 30 20 CHED C=C(Br)CN(C)[C@@H]1CC[C@H](SCC)C1 76069760 LPPCMBUHNGBKSY-MNOVXSKESA-N 278.259 3.501 30 20 CHED CC(C)(C)OC(=O)CSCc1ccc(C#N)cc1Cl 163436956 AZEOOUZUMGZVQH-UHFFFAOYSA-N 297.807 3.787 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2C)c(C)s1 49495814 LSDRFVJTPLCOFG-UHFFFAOYSA-N 270.357 3.797 30 20 CHED N#Cc1cccc(CCNCc2ccc(F)c(Cl)c2)c1 466425454 NDCGBJTWUNHUOU-UHFFFAOYSA-N 288.753 3.683 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N1CCC[C@@H](C#N)C1 701214711 AUODATMEVZRTPW-GJZGRUSLSA-N 262.397 3.521 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(Br)o1 426560393 PPQGBEAPQXXNRG-JTQLQIEISA-N 270.170 3.583 30 20 CHED N#CCC1CCN(Cc2ccccc2Br)CC1 335845527 ZVYHHXKZCOOFSW-UHFFFAOYSA-N 293.208 3.575 30 20 CHED N#Cc1cc(NC(=O)c2ncccc2Cl)ccc1Cl 336573079 JNESCRWEGIKUMG-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCCN1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 338549021 LIYPXSBNLKXPPX-LJQANCHMSA-N 284.447 3.551 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)OCC(F)(F)F 794744590 YXHORRCMEBZNTJ-UHFFFAOYSA-N 287.281 3.764 30 20 CHED C=CC[C@@H](CC)Nc1ccc([N+](=O)[O-])c(OCC)c1 393820880 KKGZMEUWVMRTER-LLVKDONJSA-N 264.325 3.760 30 20 CHED N#Cc1c(F)cccc1OC[C@@H]1CCCCC1(F)F 394500359 POSDKHJJKOMKSY-JTQLQIEISA-N 269.266 3.902 30 20 CHED COc1cc(CN2CCC[C@H]2CC(C)C)ccc1C#N 396869775 NLYDSWJLOSGXKG-INIZCTEOSA-N 272.392 3.577 30 20 CHED COc1ccc(C=NNc2ccc(Cl)cc2)cc1O 916246918 OXRLJSDPJLBOPF-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C[C@H]1CCC[C@H](N(C)Cc2ccc(F)cc2C#N)C1 343731035 YRTDQWGWTHVWNG-LRDDRELGSA-N 260.356 3.708 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](C)C2CC2)c1 178474182 BEBSIZYEDSGXEG-CQSZACIVSA-N 293.366 3.840 30 20 CHED CCCCCCCCC(=O)N[C@H](C)c1cn(C)nc1C 171079840 VIWLTPTUASRDEG-CYBMUJFWSA-N 279.428 3.656 30 20 CHED C#CCOc1ccc(F)cc1NCc1sc(C)nc1C 174535569 LDHGAANWRBAGGG-UHFFFAOYSA-N 290.363 3.523 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1Cc1ccccc1 175188500 IFDBFRWBASEUCS-INIZCTEOSA-N 257.377 3.576 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)c(F)cc2F)c1 176295661 IQOIYRKQBFSETC-UHFFFAOYSA-N 285.293 3.531 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)CSc1ccc(F)cc1 118941947 ARADZVBKPDIFOP-VXGBXAGGSA-N 281.396 3.635 30 20 CHED C/C(=C\C(=O)N(CC#N)C1CCCC1)c1ccc(F)cc1 172454264 RIVPAVOCWWEWHI-OUKQBFOZSA-N 286.350 3.524 30 20 CHED C=CCCCC(=O)NC[C@@H]1CCCc2ccccc21 175223998 OXVBVMOWHVPLTQ-HNNXBMFYSA-N 257.377 3.579 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@@H](C#N)c2ccccc2Cl)C1 177758722 UXQHYUVENXKMFV-JMSVASOKSA-N 290.794 3.847 30 20 CHED CC(C)[C@H](C)CC(=O)N[C@H](C#N)c1ccccc1Cl 172032655 KHIHBCXVJQUUHB-BXUZGUMPSA-N 278.783 3.703 30 20 CHED C=C(C)CS[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC 177868690 WSMPNXOQVBWISD-QWHCGFSZSA-N 293.432 3.570 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1c1ncc(C#N)cc1Cl 176807167 AQDSHNMCFTUCMQ-DOMZBBRYSA-N 297.789 3.989 30 20 CHED CCc1ccc(N/C(N)=N/CCc2ccccc2C)cc1 303770363 BXFYFELOCJUMDP-UHFFFAOYSA-N 281.403 3.527 30 20 CHED CC[C@@H](C#N)NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 172953715 JYKBPOZMAPURGZ-RSPDNQDQSA-N 296.292 3.527 30 20 CHED C#CCCCCNCc1csc(-c2ccsc2)n1 150733557 GAZXOHHTAMCAKP-UHFFFAOYSA-N 276.430 3.765 30 20 CHED CC[C@@H](NC(=O)Cc1ccc(C#N)cc1)C1CCCCC1 110510842 WCTRIXRTAOTCQD-QGZVFWFLSA-N 284.403 3.576 30 20 CHED CCCC(O)(CCC)CNc1c(F)cc(C#N)cc1F 301351967 JIEVQPLIADAHAL-UHFFFAOYSA-N 282.334 3.580 30 20 CHED N#Cc1ccc(-c2nc([C@H]3CCC(F)(F)C3)no2)s1 311274934 DUGKVIMORNOYJP-ZETCQYMHSA-N 281.287 3.573 30 20 CHED C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(F)cc1C#N 301750267 UGWFRBPFGKCTNY-SJCJKPOMSA-N 284.334 3.621 30 20 CHED N#Cc1cncnc1Sc1ccc2ccccc2c1 311389703 CQGGYWGQKURJAK-UHFFFAOYSA-N 263.325 3.653 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C/SCc1ccco1 178378997 SNTDSMLZSFIYLQ-VQHVLOKHSA-N 298.367 3.845 30 20 CHED Cc1cccc(NC(=O)Nc2ccc(F)cc2C#N)c1C 119809794 XXGWDKFYIDVUOG-UHFFFAOYSA-N 283.306 3.958 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 119126254 WWYDEOJPUIKSMN-RYUDHWBXSA-N 299.336 3.965 30 20 CHED Cc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)o1 177714736 DNZFINBHPLCFSG-UHFFFAOYSA-N 293.288 3.748 30 20 CHED N#Cc1c[nH]c(C(=O)Nc2ccccc2-c2ccccc2)c1 177488230 VIAGKBCETKVKEK-UHFFFAOYSA-N 287.322 3.806 30 20 CHED N#Cc1cccnc1NC[C@H]1CCC[C@@H](C(F)(F)F)C1 439615498 SHIJELQAXQVOAS-CMPLNLGQSA-N 283.297 3.734 30 20 CHED C=CC1CCN(C(=O)CC[C@H](C)c2ccccc2)CC1 120510282 CVPJUONLOAIVTK-HNNXBMFYSA-N 271.404 3.995 30 20 CHED CCCCN(Cc1ccccc1F)C(=O)C(C)(C)C#N 63576581 LBQGLJXFUVHXKU-UHFFFAOYSA-N 276.355 3.504 30 20 CHED C[C@@H]1CCCN(CCCCNc2ccc(C#N)cc2F)C1 301137404 CEIUJWGWKSGVHX-CQSZACIVSA-N 289.398 3.621 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccccc1 182651634 MEDICWJTOZXEOY-LSDHHAIUSA-N 259.393 3.726 30 20 CHED C=C(C)[C@H](NC[C@H]1CCCCO1)c1ccc(F)c(F)c1 187785581 KSPALVKMGDEAPD-CJNGLKHVSA-N 281.346 3.741 30 20 CHED C=C(C)[C@H](NCC1CCOCC1)c1ccc(F)c(F)c1 187371730 ZQZVXTLUZAJVTH-INIZCTEOSA-N 281.346 3.598 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc(-c3cnco3)c2)C1 185718097 OGLZBVFIHBOOTP-GXTWGEPZSA-N 267.332 3.836 30 20 CHED C=CCn1c(SC(CC)CC)nnc1-c1cccnc1 185489934 QNNVJIHCZCOZIP-UHFFFAOYSA-N 288.420 3.807 30 20 CHED C=C(C)CN(CC)C(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 123861406 OXJDMIJFOWKDQF-UHFFFAOYSA-N 290.407 3.687 30 20 CHED N#CCc1ccc(NCc2ccc(Br)o2)cc1 37071307 ISTRMTHUPCUZQV-UHFFFAOYSA-N 291.148 3.720 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@H]1CCC[C@@H]1C 184772198 VHSMWPDSXJWMEK-AAEUAGOBSA-N 256.349 3.632 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1nc2c(s1)CCCC2 180947581 IXACQYVXUOZLRP-GHMZBOCLSA-N 250.411 3.637 30 20 CHED C=CCn1c(S[C@H](C)CC)nnc1-c1ccco1 78837777 NSJWGHZJIPQBSF-SNVBAGLBSA-N 263.366 3.615 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1cccnc1C 189897609 BYNMJBUZYUXHCC-UHFFFAOYSA-N 296.370 3.540 30 20 CHED CCCCCCCS(=O)(=O)c1cccc(F)c1 127742231 IJOJFEPTOJNTCP-UHFFFAOYSA-N 258.358 3.570 30 20 CHED CCCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 185871196 MURJWLFFNOGJIE-HIFRSBDPSA-N 258.365 3.970 30 20 CHED N#Cc1cc(Cl)ccc1CSCc1ccon1 184825454 GBURFHUYVQTSNC-UHFFFAOYSA-N 264.737 3.633 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](CC)c1ccn(C)n1 414302062 MLRTXSQSGCIRHA-DLBZAZTESA-N 283.419 3.648 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCCC[C@@H](C)C2)cc1 187520108 JEIYTUQOLKSQKN-CABCVRRESA-N 272.392 3.599 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(F)cc1OCC#N 180747809 NBSYGOLOWSEGBY-RYUDHWBXSA-N 262.328 3.741 30 20 CHED C=CCN(CC=C)Cc1cccc(OC)c1OC(C)C 505864980 UDRPSVRADHSZJW-UHFFFAOYSA-N 275.392 3.656 30 20 CHED CCOC(=O)c1ccc(OCc2ccc(C#N)cc2C)cc1 319478991 WXYOVUCMHDMHHB-UHFFFAOYSA-N 295.338 3.622 30 20 CHED CC[C@@H](CSC)N(C)Cc1ccc(Cl)cc1C#N 187399085 RQVTUANWXOTLLU-AWEZNQCLSA-N 282.840 3.785 30 20 CHED CC#CCCCC(=O)Nc1ccc(Br)cc1C 184962557 YLBPXEPGOPVNOC-UHFFFAOYSA-N 294.192 3.890 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] 315356403 BFMDCJSARPGGGC-OLZOCXBDSA-N 295.342 3.878 30 20 CHED CCCCCS[C@H]1CCN(c2sccc2C#N)C1=O 180735538 GUKFQXMEDJGFPG-LBPRGKRZSA-N 294.445 3.648 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CCC(C)C 45404849 JDKXTBPSQHSBJJ-UHFFFAOYSA-N 272.392 3.733 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(OC(F)(F)F)c1 130267936 PQUIHOQDOGDTJR-UHFFFAOYSA-N 287.281 3.623 30 20 CHED C[C@H]1Cc2sc(NC(=O)C3CC3)c(C#N)c2[C@H](C)C1 411014997 PYEWJXPQVZYRPD-RKDXNWHRSA-N 274.389 3.654 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1cc(C)sc1C 180477435 QUAMKADYRXZHPA-NSHDSACASA-N 266.410 3.643 30 20 CHED CCCCCN(CCCOC)c1ccc(Cl)c(C#N)n1 503276166 QSEOSIANFPWBMH-UHFFFAOYSA-N 295.814 3.640 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NC(CC)CC 42955284 MUKNBPXOFMDDMR-UHFFFAOYSA-N 287.407 3.668 30 20 CHED C#CCN(Cc1csc(C)n1)[C@H]1CCc2ccccc21 76720129 PVLIBMALFMJPBZ-KRWDZBQOSA-N 282.412 3.574 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 136169809 VOMRKSUBCWPXFA-LBPRGKRZSA-N 271.147 3.872 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N(CCC#N)CC(C)(C)C 185940727 GAUINQXEEFUIOJ-KGLIPLIRSA-N 264.413 3.601 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)NCc1ccc(C#N)cc1 501783265 BUAJQYVOACBZIQ-MRXNPFEDSA-N 284.403 3.781 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1sc(C(C)(C)C)cc1C#N 411005451 FXOGKJYUFCDCMG-VHSXEESVSA-N 276.405 3.902 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1 42200422 ZTRHMEYASAMJRS-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@@H]1CCC[C@@H]1C 328798077 FUHDRJJEGYUDTD-GZMMTYOYSA-N 279.409 3.519 30 20 CHED O=C1/C(=C/c2ccc(F)cc2F)Cc2ccccc21 48417696 FLBPVJDVXZJAPS-XYOKQWHBSA-N 256.251 3.787 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(C#N)cc2)C1 509279220 MEZVJUQSINFKHG-SJORKVTESA-N 299.418 3.572 30 20 CHED COc1ccc(CN(C)C2CCCCCC2)cc1C#N 87833185 XBCNBZPRJKZUCQ-UHFFFAOYSA-N 272.392 3.721 30 20 CHED C=CCCCNC(=O)c1nc2ccccc2cc1Cl 514640416 ZICGRWJZKQNOJD-UHFFFAOYSA-N 274.751 3.584 30 20 CHED C#CCCCC(=O)Nc1ccc(O[C@@H](C)CC)cc1 192088404 VUWHQENJYHGVRS-ZDUSSCGKSA-N 259.349 3.606 30 20 CHED C=C(C)CNC(=S)N(C)Cc1csc2ccccc12 44094956 RHAHJOMNVGOCLG-UHFFFAOYSA-N 290.457 3.784 30 20 CHED C=C(Br)CN[C@H](C)c1ccccc1Cl 49508749 QRIQYEMQQLLLQK-SECBINFHSA-N 274.589 3.899 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC(C(C)C)C(C)C 426245983 PLRPBZNAQIZBGE-CQSZACIVSA-N 266.429 3.665 30 20 CHED Cc1cc([C@H](C#N)C(=O)c2ccc(C(C)C)cc2)nc(C)n1 41574284 XQHWXDFZQLRXIJ-INIZCTEOSA-N 293.370 3.707 30 20 CHED Cc1ccc(CN(CCC#N)Cc2cccnc2)cc1Cl 193598274 ZLCKOPSOZCFDOW-UHFFFAOYSA-N 299.805 3.959 30 20 CHED CCC(=O)c1ccc(OC(=O)C2(C#N)CCCCC2)cc1 194314340 MFQYKOCLMGFARF-UHFFFAOYSA-N 285.343 3.659 30 20 CHED C=CC[C@H](C(=O)Nc1cc(O)cc(OC)c1)c1ccccc1 428019257 AGBPOVSFDNSDRM-KRWDZBQOSA-N 297.354 3.699 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(CC#N)cc1 425530611 FQEDGBBGXOTGIJ-HNNXBMFYSA-N 289.382 3.817 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(Br)cc1 42224781 ZLFDHFFLIIGFOC-SECBINFHSA-N 274.589 3.852 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)c1 191408866 JNQWLXJVGHRATM-IBGZPJMESA-N 293.414 3.851 30 20 CHED Cc1cnc([C@H](C)SCc2cccc(F)c2C#N)cn1 427691940 ZTKJDWXYFUSLKN-NSHDSACASA-N 287.363 3.790 30 20 CHED C=CCC(C)(C)CNCc1nccn1-c1ccccc1 339418174 YMXQGWBOJJHMNK-UHFFFAOYSA-N 269.392 3.564 30 20 CHED C=CCCC(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 338501926 MIMQHFTYTUGERB-UHFFFAOYSA-N 297.402 3.516 30 20 CHED CC[C@H](C)/N=C(/O)Nc1ccc2c(c1)CC(C)(C)O2 330964090 KQOGZUTZBRTNHM-JTQLQIEISA-N 262.353 3.525 30 20 CHED Cc1ccnc(CNc2ccc(C#N)cc2C(F)(F)F)c1 338761583 BYBGUYYKTORZOM-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(C(F)F)cc2)C1 335931973 POFATPBFIIRWTP-BZNIZROVSA-N 292.329 3.826 30 20 CHED Cc1ccc2c(c1)[C@H](N/C(O)=N/[C@@H]1CCC[C@H]1C#N)CCC2 330208252 GQDMAOJFOFTRAM-USXIJHARSA-N 297.402 3.568 30 20 CHED C#CCCNc1cccc(Cl)c1Br 236052198 XRPSTRBBTJLYBL-UHFFFAOYSA-N 258.546 3.538 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 335836645 GCTGPJXIGNJLOV-UHFFFAOYSA-N 278.355 3.764 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)NC1CCCCCC1 331498428 SAECZAPMKFSDFT-MRXNPFEDSA-N 284.403 3.598 30 20 CHED CCCN(CC#N)Cc1ccc(F)c(C(F)(F)F)c1 92398260 UXOKDCGPISIRQV-UHFFFAOYSA-N 274.261 3.580 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(Cl)cc2O)n1 436566011 ORUZNOLDYYWCKA-UHFFFAOYSA-N 278.739 3.949 30 20 CHED C#CCCCCC(=O)Nc1ccc2ccccc2c1 179611119 HUEHVBGQBDKVOI-UHFFFAOYSA-N 251.329 3.972 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)C1 331032541 HVQDZTVAYJWEBG-OIISXLGYSA-N 284.403 3.769 30 20 CHED C[C@H]1C[C@H](C)CN(Cc2ccc(C#N)cc2OC(F)F)C1 437439252 ODTYWRRICGZADU-RYUDHWBXSA-N 294.345 3.638 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCCC12CCOCC2 337456543 JIDOEVBMBYKCMK-RRFJBIMHSA-N 251.414 3.526 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc2ccccc12 435746359 WNRLTARJOWPDJB-MJGOQNOKSA-N 281.399 3.911 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1cc(Cl)ccc1C#N 235315584 OLTHGJMUXPJVHF-KWQFWETISA-N 252.770 3.518 30 20 CHED CCOCc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 330927611 KJDPBQHORMQGKV-UHFFFAOYSA-N 286.375 3.636 30 20 CHED C=CCc1cc(CN2[C@@H](C)CC[C@@H]2C)cc(OC)c1O 91937537 XKDGXHMIAHIUJP-STQMWFEESA-N 275.392 3.502 30 20 CHED COc1cc(Cl)ccc1CNc1cc(C)nc(C#N)c1 342205386 MHUYFIMDAJYLDA-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCc2c(C)cccc21 436311350 WYSXVVUMTOPGEA-JLSDUUJJSA-N 271.404 3.553 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc2ccccc2c1 437490119 BURLMOVLIKIMMT-ROUUACIJSA-N 295.382 3.551 30 20 CHED C[C@H](NC[C@H]1[C@H]2c3ccccc3C[C@H]21)c1ccc(C#N)cc1 246608632 DJWJJKPQLMKYPO-JZOCTASASA-N 288.394 3.795 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 604900780 JQPULZJXQULPEG-HIFRSBDPSA-N 272.392 3.744 30 20 CHED CC[C@@H](C#N)Sc1nccn1-c1ccc(C)cc1C 436053218 PDTFZINTYFCRQI-ZDUSSCGKSA-N 271.389 3.883 30 20 CHED C[C@H]1CCC[C@@H](C)N(c2nccc(C#N)c2Cl)C1 342350965 QFRJWGKIPBYOHO-WDEREUQCSA-N 263.772 3.622 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCC1CCCCCC1 602677564 YONCUFJJFCAOOL-OAHLLOKOSA-N 278.440 3.645 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C(C)C)on2)n1 340796099 OACGNJONTWAXOK-UHFFFAOYSA-N 261.325 3.702 30 20 CHED Cc1nn(-c2ccccc2)cc1CNc1ccccc1C#N 438927119 PMMVPUOVXHISDN-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=CCCCN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 347922485 CRQJJNNHYDAEKV-SNVBAGLBSA-N 289.345 3.679 30 20 CHED CCN(CCC#N)Cc1c(Cl)oc2ccccc12 349831878 LYIPJAMOFLCQGZ-UHFFFAOYSA-N 262.740 3.822 30 20 CHED CC(C)(C)NC(=O)c1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 437116211 NBKCIBOVDVLSKO-CJNGLKHVSA-N 299.418 3.709 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CCC(=O)c2ccccc21 340007553 ZXHAORPNNRAVQO-BBRMVZONSA-N 285.387 3.608 30 20 CHED N#Cc1ccnc(NCCc2ccc3[nH]ccc3c2)c1Cl 343045081 KKNBFDQQGYNHJQ-UHFFFAOYSA-N 296.761 3.743 30 20 CHED N#CCC1(CNC2(c3ccccc3Cl)CC2)CC1 602850347 FWNDLVJELKMTTE-UHFFFAOYSA-N 260.768 3.613 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(CC#N)cc1 340036625 QVRQFXOBGVGVJP-CYBMUJFWSA-N 296.345 3.725 30 20 CHED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1ccc(O)cc1 255895281 KCCMVSUMWLENNQ-BHQIHCQQSA-N 278.229 3.706 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)NCC(C)(C)CCC#N)C1 346003433 NZKPDVIXJPADSW-ZIAGYGMSSA-N 264.413 3.649 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccccc1C(F)(F)F 540398340 OJTIODKDZGFRMD-NWDGAFQWSA-N 287.325 3.541 30 20 CHED N#Cc1ccc(-c2ccc(C3CCNCC3)cc2)s1 600776969 QWCDCZUTONSKRE-UHFFFAOYSA-N 268.385 3.754 30 20 CHED Cn1cc(/C=C\C(=O)c2ccco2)c(-c2ccccc2)n1 255173997 VKHBDYLMSRBQAD-KTKRTIGZSA-N 278.311 3.576 30 20 CHED COc1cc(CN2CC[C@@H]2c2ccccc2)ccc1C#N 442799889 LKJHGRSJWNWUAQ-QGZVFWFLSA-N 278.355 3.514 30 20 CHED CC(C)CCN(C)c1c(C#N)cnc2c(F)cc(F)cc12 609570895 RIUBXDGQTBBDPY-UHFFFAOYSA-N 289.329 3.867 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)c1cccc(C#N)c1 600848188 BFGJJOILLQLPEG-GFCCVEGCSA-N 277.327 3.612 30 20 CHED CC1(C)CN(C(=O)c2cccc(C#N)c2)[C@H]1c1ccccc1 604332639 SVTUMMKNSLLBJF-KRWDZBQOSA-N 290.366 3.782 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1cccc(C)c1)C(C)(C)C 539339919 PTHNTUZDGKAIFC-IAGOWNOFSA-N 275.436 3.999 30 20 CHED C[C@H](N[C@@H]1C[C@@H]1Cc1ccccc1)c1cccc(C#N)c1 537307719 QJBPGGHHZGFRBZ-ZOCIIQOWSA-N 276.383 3.840 30 20 CHED C[C@H](CC1(C#N)CCOCC1)Nc1ccc2cnccc2c1 602688913 SOIVUNZTKSBNSH-CQSZACIVSA-N 295.386 3.746 30 20 CHED Cc1cccc(C)c1OCCCN(CCC#N)CC1CC1 357931406 PDNDGGDHMBUIIK-UHFFFAOYSA-N 286.419 3.698 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(Cl)cc(F)c1F 442188207 JGSCJXUMBOUSLF-UHFFFAOYSA-N 286.709 3.824 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3sc(Cl)cc32)C1 353576034 MJZCNEGBNWKEBS-FXPVBKGRSA-N 266.797 3.671 30 20 CHED CCOc1cc(Cl)ccc1CN[C@@H]1CC[C@H](C#N)C1 442819082 POTVZRDAAJGPDR-SMDDNHRTSA-N 278.783 3.521 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccccc1C)C(C)C 539262442 IEINWAMJPUPEFF-WBVHZDCISA-N 261.409 3.609 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 353629516 WJAKAKZBJCLXCT-ZIAGYGMSSA-N 287.407 3.611 30 20 CHED C=CCCC1(C(=O)N2CCCc3cc(OC)ccc3C2)CC1 530281815 BIVXEDHFNRIJFP-UHFFFAOYSA-N 299.414 3.716 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)Cc1cccc(C#N)c1 531392689 MRGLGTMUIBWUHS-HUUCEWRRSA-N 298.430 3.822 30 20 CHED C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(CC(C)(C)CCC#N)C1 352296501 FEQIWWMSYRVKFV-IXDOHACOSA-N 291.483 3.654 30 20 CHED C=CC[C@@H]1N(CCCSCC#N)CCCC1(C)C 444775671 AODFVDXNGIGSLT-AWEZNQCLSA-N 266.454 3.700 30 20 CHED CCc1cc(NC(=O)N(CCC#N)CC2CC2)ccc1F 352085010 WZVCPQHQCOMSII-UHFFFAOYSA-N 289.354 3.546 30 20 CHED CCC(CC)c1cc(C(=O)N[C@](C)(C#N)CC(C)C)on1 531902553 HSZDPEUHIOYJQT-INIZCTEOSA-N 291.395 3.636 30 20 CHED C=CCN[C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 537077344 OFEHPHNJKHZYAZ-AWEZNQCLSA-N 277.408 3.957 30 20 CHED CCN(CCC#N)C(=O)[C@H](C)c1ccccc1C(F)(F)F 610387309 AIFBISYHDMHPLA-LLVKDONJSA-N 298.308 3.571 30 20 CHED Cc1cc(Cl)cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 531657339 HYNPBFVOVOSXEV-BDJLRTHQSA-N 290.794 3.851 30 20 CHED CC(C)N(C)C[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 353569368 CCUKLKWHYWEDIL-DNVCBOLYSA-N 299.462 3.644 30 20 CHED C=CCC1(CNC(=O)CCCn2cccc2)CCCC1 456490625 XLUOCDLCTVTYNK-UHFFFAOYSA-N 274.408 3.521 30 20 CHED N#Cc1cc(C(=O)Nc2ccccc2F)ccc1Cl 538268828 OQMNLPQAISBVPC-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2C[C@H]2C2CC2)cc1 610579162 PWFXRPPNGKUUMP-BBWFWOEESA-N 296.414 3.711 30 20 CHED N#CCC[C@H](NCc1n[nH]c2ccccc12)c1ccccc1 610972160 FNJXCNPJTFAAJO-INIZCTEOSA-N 290.370 3.698 30 20 CHED Cc1cc(NC(=O)N(C)C[C@H](C)C#N)cc(C(F)(F)F)c1 617032324 BOWJCUFIXWNNGB-SNVBAGLBSA-N 299.296 3.637 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1c1ccc(C#N)cn1 450906105 CWMNKMZHTJMBIT-INIZCTEOSA-N 281.334 3.742 30 20 CHED C=CCCCNC(=O)Cc1cc2ccccc2s1 451518315 QNUKEHZNRKSURZ-UHFFFAOYSA-N 259.374 3.526 30 20 CHED CC(C)[C@]1(C)C[C@@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 458102932 CLZWKMHWVFNXGF-LPHOPBHVSA-N 298.430 3.678 30 20 CHED CCc1ccc([C@H](NC(=O)CCCC#N)C(C)C)cc1 360264837 DISRBFZCWYSODJ-QGZVFWFLSA-N 272.392 3.756 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)NCC(C)(C)CC#N 459263275 WSNSFPCKOSOCHZ-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED C=CCc1cc(CN[C@]2(C)CC=CCC2)cc(OC)c1O 459773141 UMQCNTHTSYDNIO-GOSISDBHSA-N 287.403 3.718 30 20 CHED C=CCC1(C(=O)N2CCC(CC)(CO)CC2)CCCCC1 450311724 DXWYBIVMRDCNAE-UHFFFAOYSA-N 293.451 3.524 30 20 CHED CCN(CC#N)Cc1ccc(Br)cc1SC 271155316 VVYBOPQXUIFBEN-UHFFFAOYSA-N 299.237 3.516 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CC12CCCCC2 540487080 AKJLOOPTTCDQHK-UONOGXRCSA-N 264.413 3.753 30 20 CHED C=CCC1(C(=O)N(C)Cc2cc(Cl)cn2C)CCCC1 450102724 HNCBKBUHGUWTEL-UHFFFAOYSA-N 294.826 3.773 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccc(CC)cc1 540526949 QIOCQDBXURESOU-AWEZNQCLSA-N 259.393 3.653 30 20 CHED C=CCC1(NCCC2CCOCC2)CCCCC1 625934429 NEIQLWUEDZDDPZ-UHFFFAOYSA-N 251.414 3.672 30 20 CHED C=C(C)CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 452727288 XYRJKSABIPCHAU-UHFFFAOYSA-N 297.320 3.819 30 20 CHED Cc1cncc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 274676539 ZDFFQNGALMTWOA-KBPBESRZSA-N 265.360 3.674 30 20 CHED C=CCCCC[C@@H](C)N1CCC[C@H](CC(C)(C)C(N)=O)C1 453298006 ZTLVOSAODBTXBQ-HZPDHXFCSA-N 294.483 3.735 30 20 CHED C[C@H](CC#N)NC(=O)Nc1cc(C(F)F)ccc1Cl 274837160 NUECQJSFNQRYCA-SSDOTTSWSA-N 287.697 3.701 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@](C)(C#N)C(C)(C)C 545919652 UNPDTDLXQGKNPS-IOASZLSFSA-N 264.413 3.647 30 20 CHED CC[C@@H](NCC1(CC)CCOCC1)c1ccc(C#N)cc1 278829001 TXAWFACXYGZYJZ-QGZVFWFLSA-N 286.419 3.806 30 20 CHED CC#CCCCC(=O)N1CCC(c2ccccc2F)CC1 547341199 MATHIHZFRRDBGI-UHFFFAOYSA-N 287.378 3.725 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CCCC)C(C)C 621989540 MLHGXOMHUMWKKL-OAGGEKHMSA-N 281.440 3.546 30 20 CHED CC(=O)c1ccc2ccccc2c1NC(=O)CC(C)(C)C#N 622939123 QPCWEKKACPCZJD-UHFFFAOYSA-N 294.354 3.921 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(C#N)cc2)CC1 469478368 RECHPQZFJRDYCC-ZWKOTPCHSA-N 298.430 3.822 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H](Cc2ccccc2)C1 373345568 GGALPWHNEZDRDN-SFHVURJKSA-N 283.415 3.661 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cc(C)sc1C 278569550 QRDNFVLBKYHBTL-NJZAAPMLSA-N 293.432 3.523 30 20 CHED C[C@H](C#N)CN(C)c1nc(-c2ccc(F)cc2)cs1 271648449 RLLSRHLYPFONOP-SNVBAGLBSA-N 275.352 3.545 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C)c(F)c1 466321177 UDYWFSHVTDXCAS-NSHDSACASA-N 250.317 3.610 30 20 CHED CC1(c2ccccc2)CC(NCc2cccc(C#N)c2)C1 545253175 SQHBHJNBHQTWJE-UHFFFAOYSA-N 276.383 3.768 30 20 CHED N#CCC1CCN(C(=O)NCCCCC2CCCC2)CC1 541921788 RMXXIISTYKEWLK-UHFFFAOYSA-N 291.439 3.682 30 20 CHED C=CCCC(=O)N(Cc1ccc(OC)cc1)C(C)(C)C 289081798 HOWIGGDEWJUCQK-UHFFFAOYSA-N 275.392 3.789 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1 628395740 VGJIFNATTWZJKK-TXEJJXNPSA-N 271.351 3.505 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 285790911 CSEAEONAPFFQCS-NOLJZWGESA-N 290.794 3.642 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C1CCCC1 464750776 JIJAVJMHSUJSNQ-CJNGLKHVSA-N 272.392 3.792 30 20 CHED Cc1ccc(CN(C)CCCC2(C#N)CCOCC2)s1 281948813 JKRBDEAAQFIVBS-UHFFFAOYSA-N 292.448 3.589 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1ccccc1F 280933065 VKZSZRLLLKNWGX-XKQJLSEDSA-N 277.383 3.848 30 20 CHED CC(C)CC[C@@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 461779183 URIKPBVRCWSWEF-ZIAGYGMSSA-N 272.392 3.603 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)Cc1cccs1 281357998 NDDSMOACIJVMHV-GFCCVEGCSA-N 266.410 3.634 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 285949664 JZODTXOMEFOTHO-KRWDZBQOSA-N 296.374 3.709 30 20 CHED C=CCC(C)(C)c1noc([C@H]2OCCc3ccccc32)n1 551138091 KMJWZFODIUBECO-AWEZNQCLSA-N 284.359 3.585 30 20 CHED CC(C)[C@H](CNC(=O)C(C)(C)C#N)c1ccc(Cl)cc1 286474866 ORZHAEZUGXOXKC-AWEZNQCLSA-N 292.810 3.746 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C)c1 464160103 VDIJLMYKLMNJDR-CXAGYDPISA-N 272.392 3.543 30 20 CHED CC1(CCNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 281043402 XIQCMEIXQULJRN-OAHLLOKOSA-N 285.391 3.521 30 20 CHED C[C@@H]1C[C@H]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 463072352 ZSOGWGZDMGHMGF-MNOVXSKESA-N 288.416 3.873 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 281213466 CNXHOKSBHKBUPN-AWEZNQCLSA-N 285.391 3.964 30 20 CHED C=CCN(Cc1cccs1)[C@@H](c1nccn1C)C1CC1 637870610 DGLXBCRNOWPLMC-OAHLLOKOSA-N 287.432 3.621 30 20 CHED CCOC1(CNc2cc(C(C)=O)ccc2C#N)CCCC1 292881168 UTJGKSRUTNXWKN-UHFFFAOYSA-N 286.375 3.522 30 20 CHED CC(C)Cn1ncc(N[C@H]2CC[C@@H](C#N)C2)c1C1CC1 554117282 DOQBHWCMYWOBBR-OCCSQVGLSA-N 272.396 3.521 30 20 CHED C[C@@H](C#N)OCCN[C@H](c1ccccc1)C1CCCCC1 801935480 FSQXWXDSEALWSR-MAUKXSAKSA-N 286.419 3.826 30 20 CHED CC[C@@H](CNc1snc(C)c1C#N)c1ccccc1 557476956 JENUINPPEFZAAM-LBPRGKRZSA-N 271.389 3.929 30 20 CHED Cc1cc(N(C)[C@H](C)c2cc(F)ccc2F)cc(C#N)n1 552964293 XAENBQZDUDZAED-LLVKDONJSA-N 287.313 3.737 30 20 CHED C=CCCCCNC(=O)Cc1ccc2ccccc2c1 471675043 ZQXDFAUXPQKLGP-UHFFFAOYSA-N 267.372 3.855 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1[C@H]1CC[C@H](C#N)C1 293218237 VJWKYXVZNCIANR-OHFALNGGSA-N 254.377 3.557 30 20 CHED C=CCCCCCCNC(=O)N[C@H](C)c1cnccc1C 807065818 OXLIVQGRTGWSRV-OAHLLOKOSA-N 289.423 3.887 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(SC)c1C 806391651 YYLDCTRHVLUVJF-LBPRGKRZSA-N 276.405 3.640 30 20 CHED C=CCOCCCN[C@@H](c1ccc(F)cc1)C(F)(F)F 470874546 RXXSXUBRCYRNMQ-ZDUSSCGKSA-N 291.288 3.611 30 20 CHED C=CCC[C@H](O)CN[C@H]1CCC[C@H]1CCC(C)C 472604006 FKGZTELGNSXKJQ-JYJNAYRXSA-N 253.430 3.508 30 20 CHED C=CCCC1(C(=O)NC[C@H](C)Oc2ccc(C)cc2)CC1 476108805 LGNWRSSZGWTVEL-HNNXBMFYSA-N 287.403 3.625 30 20 CHED C#C[C@H](NCc1ccc(OC)c(OCCC)c1)C(C)(C)C 809781842 BXJQDKFJZLJWRU-KRWDZBQOSA-N 289.419 3.622 30 20 CHED C=CCOc1ccc(OC(=O)CCCCCC#N)cc1 805889670 KAUBSZXIGIMTQY-UHFFFAOYSA-N 273.332 3.631 30 20 CHED CC#CCCCC(=O)NCc1ccc2sccc2c1 291094533 AUMQMSGCAPGVOL-UHFFFAOYSA-N 271.385 3.711 30 20 CHED C=CCn1c(-c2ccc(C)s2)nnc1N(C)[C@@H](C)CC 569038186 ZPMBRHFGKBRZMY-NSHDSACASA-N 290.436 3.736 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H]1CCCc2ccccc21 562678703 ZEXAMEMZGXDIND-INIZCTEOSA-N 286.419 3.918 30 20 CHED CC[C@H](Cc1ccccc1)Nc1ccc(C#N)c([N+](=O)[O-])c1 564558340 IKMYDFJWAQYSNE-OAHLLOKOSA-N 295.342 3.900 30 20 CHED C=CCN(C(=O)c1cc(Cl)c[nH]1)c1ccccc1 647741808 KCYPQKSLQCHPGX-UHFFFAOYSA-N 260.724 3.501 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)CCCC#N 291170708 NDGGKRLTKPBHSQ-UHFFFAOYSA-N 282.796 3.610 30 20 CHED CCCCOc1ccc(C(=O)N(C)[C@H](C)C#N)c(Cl)c1 297657222 BLNIPFUQHNHYHT-LLVKDONJSA-N 294.782 3.503 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](Cc2ccccc2)C1 292629899 CMDIXWQAFALIFP-MRXNPFEDSA-N 271.404 3.680 30 20 CHED C[C@@H](C=NNc1cccc(F)c1[N+](=O)[O-])C(C)(C)C 800817914 ZJTURDHTMWLZTG-VIFPVBQESA-N 267.304 3.814 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1ccc(N)nc1 814688957 QGYYAMDMWJAIMH-UHFFFAOYSA-N 294.280 3.519 30 20 CHED C=CCN1CCC(N[C@H]2CCCCC23CCCC3)CC1 645407960 GZLHGFROLUUORS-KRWDZBQOSA-N 276.468 3.729 30 20 CHED C=CCN(Cc1cc(OC)ccn1)CC1CCCCC1 485048621 RZXYLGFPBICUQH-UHFFFAOYSA-N 274.408 3.659 30 20 CHED CC(C)CON=C[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 814884232 SFPDFRWLCPVDSG-CQSZACIVSA-N 298.427 3.728 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)[C@H]1C1CC1 812268880 MCOOQOSHUKKEKJ-OAHLLOKOSA-N 251.414 3.994 30 20 CHED COCCC1(C=NN[C@@H](C)c2ccncc2)CCCCC1 819816667 MUMJFHNYWIPKDA-HNNXBMFYSA-N 289.423 3.705 30 20 CHED C=C(Cl)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 815209526 YHSSUSNXTOXOEN-ZDUSSCGKSA-N 272.175 3.546 30 20 CHED Clc1ccc(-c2noc(NN=C3CC4(CC4)C3)n2)cc1 814848921 ZFOHNOCARUVXHM-UHFFFAOYSA-N 288.738 3.732 30 20 CHED Cc1c(C(=O)OC2(CC#N)CCC2)oc2ccc(F)cc12 810855159 BFWOKUGUZZGGKY-UHFFFAOYSA-N 287.290 3.874 30 20 CHED N#CCC[C@H](NC(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1ccccc1 571032219 BWHUVYGCPOWJOY-NXOAAHMSSA-N 282.387 3.584 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NNCCC(C)(C)C)C1 814901290 HGJBWGHSQRMGHE-CQSZACIVSA-N 296.455 3.902 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC[C@@H](C)C3)c2c1 487935652 RNWQONQGAXEKNO-CYBMUJFWSA-N 265.360 3.651 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cc(CC)ccn2)no1 570886464 VVCMMBRACRHULV-HNNXBMFYSA-N 257.337 3.548 30 20 CHED Cc1cc(C)cc(NN=C2CC[C@H](CC(=O)O)[C@H]2C)c1 814753589 QVBCXXXIVFYZNB-CHWSQXEVSA-N 274.364 3.592 30 20 CHED C=CCCCCCCCN1C(=O)[C@@H]2CCCCCN2C1=O 811841325 BGVRHQDIOPGCFA-HNNXBMFYSA-N 292.423 3.720 30 20 CHED C#C[C@@H](NCc1ccc(F)cc1)c1ccc(Cl)cc1 811517333 OOABPEFLXNRTHW-MRXNPFEDSA-N 273.738 3.943 30 20 CHED C=CCCC[C@H](C)NC[C@@H](O)c1ccc(F)cc1Cl 819210205 ULIPAARZTWNDIZ-XHDPSFHLSA-N 285.790 3.847 30 20 CHED C[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727927537 MRDFDAIJZNHQOA-FKTZTGRPSA-N 284.142 3.552 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccccc1C(F)(F)F 488815624 AZTWVKDGQFXMRQ-NSHDSACASA-N 283.293 3.886 30 20 CHED CN(CCC#N)c1ccc(CN2CCC(C3CC3)CC2)cc1 814172636 XAADYCJAIBUBHO-UHFFFAOYSA-N 297.446 3.658 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(C3CC3)nc2C)n1 821619516 AYVVYVZORVMHDF-CYBMUJFWSA-N 297.383 3.522 30 20 CHED Cc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1F 729140277 DEJFISMRPJVBQW-UHFFFAOYSA-N 297.255 3.994 30 20 CHED N#Cc1ccccc1Oc1ccc(Nc2cccnn2)cc1 578228337 BPZSPVUSIKMQKK-UHFFFAOYSA-N 288.310 3.884 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1N1CCCCCC1 820551909 DMGJAFZRNTVTSE-UHFFFAOYSA-N 284.403 3.665 30 20 CHED Cc1nc(CCNc2ccc(Cl)c(C#N)c2)cs1 578709491 JJBATHVZYOXUJX-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CC(Cc1cccs1)=NNCc1ccc(F)c(F)c1 729637786 UVMIHBPGMGWUNH-UHFFFAOYSA-N 280.343 3.735 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC3)C1 665193203 QLAXPHXOYDDANG-CQSZACIVSA-N 284.403 3.995 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCC[C@H](N2CCCC2=O)C1 582252802 SBXPHVOARAHLDC-ULQDDVLXSA-N 292.467 3.645 30 20 CHED C#CCCCOC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 727231875 AMFZFTQJEYYFFF-UHFFFAOYSA-N 298.304 3.940 30 20 CHED Cc1cc(NCCOc2ccccc2C(C)C)cc(C#N)n1 587975785 WBIDFJZXEHMZAI-UHFFFAOYSA-N 295.386 3.876 30 20 CHED CC[C@@H](Nc1cnn(CC(C)C)c1)c1cccc(C#N)c1 902922771 XYWJAJDYUUQSMS-QGZVFWFLSA-N 282.391 3.974 30 20 CHED C#C[C@H](CC)NC(=O)c1occc1CSc1ccccc1 491695675 XWNQHBSHQLKQMN-CQSZACIVSA-N 299.395 3.714 30 20 CHED CC1(C)Cc2cc(NC(=O)c3ccsc3C#N)ccc2O1 906987577 OQXIJYXRCBRDLQ-UHFFFAOYSA-N 298.367 3.586 30 20 CHED CC1(C)CN(C(=O)c2ccsc2C#N)Cc2ccccc21 907150657 XDLXPMXAHVMLBL-UHFFFAOYSA-N 296.395 3.553 30 20 CHED N#Cc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1F 589800170 SGMOUGQOAMSLAI-UHFFFAOYSA-N 298.248 3.835 30 20 CHED C=CCN(C(=O)N[C@H](CC)Cc1ccc(F)cc1)C1CC1 665495566 OZFJHWLYURCVQS-OAHLLOKOSA-N 290.382 3.507 30 20 CHED C=CCN(C(=O)Nc1ccc(C2CC2)cc1)[C@@H](C)COC 666539969 OEODMZUKOOFLEP-ZDUSSCGKSA-N 288.391 3.619 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)OCCCCC#N 734909344 UQCHKBIFIZXKMT-AWEZNQCLSA-N 259.349 3.726 30 20 CHED CC(=NO[C@@H](C)c1nc(C)no1)c1cc2ccccc2o1 736296260 AHVCHGWBXRHIIR-JTQLQIEISA-N 285.303 3.626 30 20 CHED C#Cc1ccc(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)cn1 839890354 HJUQXTXMOZQFDL-HNNXBMFYSA-N 298.430 3.740 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C(=O)C#CC(C)(C)C 837411206 DTZYLNPFAPFSMM-KRWDZBQOSA-N 271.404 3.892 30 20 CHED N#CC1(CCCCn2cnc(Cc3ccccc3)n2)CCC1 902763043 PAPOFFRKZGDBHZ-UHFFFAOYSA-N 294.402 3.733 30 20 CHED CC(C)[C@H](C)C(=O)OCCCCC1(C#N)CCC1 909011490 SCZLOGWKYNMNCS-ZDUSSCGKSA-N 251.370 3.686 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1cc(Cl)ccc1C 901317080 GKURGCXAUWURNV-LBPRGKRZSA-N 266.772 3.863 30 20 CHED COc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(Cl)c1 839048223 CKFPRYYNRGYRLI-ZYHUDNBSSA-N 293.750 3.588 30 20 CHED CC[C@@H](NCC[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(C#N)c1 903018176 YKGFOWURJLOJIL-BRSBDYLESA-N 284.403 3.557 30 20 CHED C=CCCCC(=O)OCc1cnn(CCc2ccccc2)c1 835750290 CZAZKLCPLKWMRW-UHFFFAOYSA-N 298.386 3.525 30 20 CHED Cc1c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)oc2ccccc12 839044160 PKURICJOULZZEO-QWHCGFSZSA-N 283.327 3.980 30 20 CHED C=C(CNC(=O)c1cc2cc(C)ccc2[nH]1)c1ccccc1 673342287 BSBPIYCRDLLBTO-UHFFFAOYSA-N 290.366 3.920 30 20 CHED COc1cccc2cc(/C=C/c3ccc(C#N)cn3)oc12 917146581 RTHXDYDTBGHYCQ-BQYQJAHWSA-N 276.295 3.878 30 20 CHED CC(=NNc1nc(O)c2ccccc2n1)[C@@H]1CCCC[C@@H]1C 834962047 UESWDIHIUKPXJM-WCQYABFASA-N 298.390 3.950 30 20 CHED Cc1nc(C=NNc2cccc3c2CCCC3)cs1 917553015 WMVLSASSNCYODK-UHFFFAOYSA-N 271.389 3.776 30 20 CHED CC[C@H](C)[C@@H](C=NNc1ccc(Cl)cc1)OC 834914218 NBVHEWLMTJQOAF-GXFFZTMASA-N 254.761 3.799 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](CC)C(F)(F)F 835655879 YWAOREZLUOGXGY-SNVBAGLBSA-N 250.260 3.639 30 20 CHED CC(C)COc1ccccc1C=NOCC(F)(F)F 834962111 BGUSAQDDLWCKEH-UHFFFAOYSA-N 275.270 3.634 30 20 CHED C[C@@H](NC1CC2(CCC2)C1)c1ccc(C#N)c(F)c1 593722279 WRLQQTRKRVBSPD-LLVKDONJSA-N 258.340 3.681 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1CC(C)(C)CC(C)(C)C1 598849891 MXDYZLTVTDAJKG-CYBMUJFWSA-N 264.413 3.599 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2cccc(F)c2)cc1 916134229 HUFBYHCXCYSHGU-FLIBITNWSA-N 269.319 3.788 30 20 CHED CCCCCCCC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 741644454 DBAPZCGSUUUJSM-NUEKZKHPSA-N 281.440 3.667 30 20 CHED CCOc1ccccc1C(C)=NNc1nc2ccccc2[nH]1 915915523 RHNSQRRQVLJJOQ-UHFFFAOYSA-N 294.358 3.798 30 20 CHED CCc1ccc(CNCCc2ccc(C#N)cc2)s1 594955011 KCVFCVGNJSLZPX-UHFFFAOYSA-N 270.401 3.514 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C3CC3)cc2)C1 597259113 XENHRRILBHCWCU-FZKQIMNGSA-N 282.387 3.766 30 20 CHED CCC(=NNc1ccc(Cl)cc1)c1c(C)nn(C)c1C 741836769 FKCMQCHKPCAEHT-UHFFFAOYSA-N 290.798 3.917 30 20 CHED CCC(=NNc1cccc2c1CCCC2)[C@@H]1CCOC1 741839902 WQUBBGKXDRTKPC-CQSZACIVSA-N 272.392 3.780 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(C2CC2)cc1 596819828 KKTCKNVFVOMAIJ-UHFFFAOYSA-N 290.432 3.995 30 20 CHED O=C1/C(=C/c2cc(F)c(O)c(F)c2)Cc2c(F)cccc21 749891983 QEJCURWSCXOJJU-RUDMXATFSA-N 290.240 3.632 30 20 CHED COc1ccc(CNN=C(C)c2ccc(Cl)s2)cc1 917547236 LGJJOGWJYQUFBC-UHFFFAOYSA-N 294.807 3.924 30 20 CHED CCCCc1nc(CN2CCC[C@H](CC#N)C2)cs1 595610770 BYFCDUNQDXGWOS-CYBMUJFWSA-N 277.437 3.611 30 20 CHED N#Cc1ccc(SCc2ccnc(Cl)c2)cc1 748588492 ILJSZNMHOQJPHG-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CN(CC(C)(C)C#N)C(=O)C1(C(F)(F)F)CCCCC1 597695413 TYLBPYJOWGPLPT-UHFFFAOYSA-N 290.329 3.507 30 20 CHED Cc1cc(NC(=O)/C=C/C2CCCC2)c(C#N)cc1N(C)C 843597040 HCQQOGQLOVLKIW-CMDGGOBGSA-N 297.402 3.618 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(C)s1 915962536 SPOMOMSQGNPVKR-UHFFFAOYSA-N 255.346 3.764 30 20 CHED C#CCCCNC(=O)N[C@H](CCC)CCc1ccccc1 743692305 YGCWTHQMMFPXET-QGZVFWFLSA-N 286.419 3.501 30 20 CHED C#Cc1cccc(NC(=O)NC2C[C@@H](C)C[C@H](C)C2)c1 740433945 AAGUCSOVJWCVCT-STQMWFEESA-N 270.376 3.614 30 20 CHED Cc1cccc2c(CC/N=C/c3cccc(O)c3O)c[nH]c12 741466485 TUFKXOOFFSOPLN-VXLYETTFSA-N 294.354 3.549 30 20 CHED CCO[C@@H](CC/N=C/c1cc(Cl)ccc1O)C(C)C 746394810 RYNYSUPKQVIELO-ADFUCPMPSA-N 283.799 3.916 30 20 CHED C=CCCSCCNC(=O)c1cc2cc(F)ccc2o1 597968666 YNGXOVZGODFMHE-UHFFFAOYSA-N 293.363 3.611 30 20 CHED C=CCCOC(=O)CCc1ccc(-c2ccccc2)[nH]1 740224624 BNLBSQDKWWMYOK-UHFFFAOYSA-N 269.344 3.734 30 20 CHED CC(=NN=C(C)c1cnccn1)c1ccc(CC(C)C)cc1 745206422 DDNSTAZEFQQRPZ-UHFFFAOYSA-N 294.402 3.908 30 20 CHED Cc1cccc(-c2nnc(S[C@@H]3CC[C@H](C#N)C3)o2)c1 590708733 HELUNARHDRQVHH-WCQYABFASA-N 285.372 3.829 30 20 CHED CO[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C1CCCC1 595093462 BBKJWXNHPCLSJK-MOPGFXCFSA-N 298.430 3.730 30 20 CHED Cc1cc(F)ccc1NCCCOc1ccc(C#N)cc1 917803221 WELAAOKZQBBUAC-UHFFFAOYSA-N 284.334 3.887 30 20 CHED Cc1ccc(Br)cc1CON=C1CCC1 842030540 CYBIMZIENGJXOA-UHFFFAOYSA-N 268.154 3.814 30 20 CHED CC(=NOCc1cccnc1)c1ccc2c(c1)CCC2 746587219 JNZCSLKMXWDQGB-UHFFFAOYSA-N 266.344 3.511 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 593520518 PLDDIQLSKDYVSQ-LSDHHAIUSA-N 299.418 3.862 30 20 CHED N#CC1(COc2cc(C=O)cc(C(F)(F)F)c2)CCC1 842054808 CKVQEVBVNTVLNZ-UHFFFAOYSA-N 283.249 3.591 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(Cl)nc1)C2=O 748998158 OCBXJMUICMOOGY-QPEQYQDCSA-N 269.731 3.866 30 20 CHED N#CCOc1cccc(OCCC2(C#N)CCCCC2)c1 842110424 MWBNTRICKZTOKC-UHFFFAOYSA-N 284.359 3.832 30 20 CHED CCC/C(C)=C\C(=O)N(Cc1ccc(C#N)cc1)C1CC1 920219300 QVVMRFLESSSVBM-KAMYIIQDSA-N 282.387 3.796 30 20 CHED N#CC[C@@H](O)CN1CCCCC[C@H]1c1ccc(Cl)cc1 929666607 CLWVZYASDQEGLX-CVEARBPZSA-N 292.810 3.532 30 20 CHED CCOC1CCC(=NN[C@@H](C)c2ccccc2)CC1 853293434 FNIJDTMNMZHAFI-KNVGNIICSA-N 260.381 3.672 30 20 CHED Cc1cc(F)ccc1NN=Cc1cnc(C2CC2)s1 750938723 NBDRXPGCIPGVFS-UHFFFAOYSA-N 275.352 3.914 30 20 CHED CCCC[C@](C)(F)C(=O)[C@H](C#N)c1nc2ccccc2o1 850781928 GMHGYGGWHZKARZ-ZBEGNZNMSA-N 288.322 3.922 30 20 CHED C=CCCOCC(=O)N1CCC[C@H](C)c2ccccc21 680411859 ZIGSPYHHNFEVKV-AWEZNQCLSA-N 273.376 3.510 30 20 CHED COc1ccc(NN=Cc2c(C)cccc2C)cc1 755802269 SPZLHAWSKIFQJH-UHFFFAOYSA-N 254.333 3.758 30 20 CHED C=C(Cl)CN1CC[C@@H](Oc2ccccc2Cl)C1 752099369 BUXWCMMDVGKPAZ-LLVKDONJSA-N 272.175 3.546 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCCc2cccnc21 684955637 PRAFKYAVHSEBKJ-QGZVFWFLSA-N 294.398 3.814 30 20 CHED COc1ccc(O)c(C=Nc2cc(C)ccc2C)c1 920943632 YTJNNGGEXPYCEH-UHFFFAOYSA-N 255.317 3.768 30 20 CHED Fc1ccc(/C=C\C=NNCc2ccccc2)c(F)c1 758083178 HWLMMOWDQAIATJ-WJFQHQKPSA-N 272.298 3.754 30 20 CHED CC(C)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1 1349961242 LYOIBXQSXLKWBF-UHFFFAOYSA-N 264.328 3.934 30 20 CHED C=CCCN[C@@H](C)c1ccc(N2CCCCC2)cc1 850502931 WYFZXCFDOZAPJN-HNNXBMFYSA-N 258.409 3.904 30 20 CHED C#CCCCCNc1nc(C(F)(F)F)nc2ccccc12 758473280 FIOGYZSJVNLJRI-UHFFFAOYSA-N 293.292 3.864 30 20 CHED C=C(C)CN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 751558559 CFGPNGISUVMKBE-MSOLQXFVSA-N 273.420 3.931 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)COc2ccc(F)cc21 755591420 BDGQLISVUDIKNA-XCVCLJGOSA-N 290.240 3.763 30 20 CHED Cn1ncc(C2CC2)c1C=NNc1cccc2c1CCCC2 853294342 MIUIYXBRJYLCJN-UHFFFAOYSA-N 294.402 3.622 30 20 CHED C=C[C@H](C)NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 757004925 ULEXCRGJMOFDNY-USKTWTLRSA-N 283.293 3.799 30 20 CHED CC[C@@H]1CCCC1=NNc1cc([N+](=O)[O-])ccc1C 758375321 QNIZUWXFERAOOV-LLVKDONJSA-N 261.325 3.881 30 20 CHED CCC(=CC(=O)N(CCC#N)CCC(C)C)CC 759184320 XZCAPJGPTUDPMJ-UHFFFAOYSA-N 250.386 3.521 30 20 CHED COc1cc(F)cc(NN=C(C)c2cc(C)oc2C)c1 759213030 UCHWLUQEJAKFFI-UHFFFAOYSA-N 276.311 3.880 30 20 CHED CCC1(C)CCC(=NNc2ccc(Cl)nn2)CC1 751516418 PDGLPLHAQZGRBQ-UHFFFAOYSA-N 266.776 3.888 30 20 CHED CO[C@H]1Cc2ccc(NCc3ccc(C#N)c(C)c3)cc2C1 767682910 GHOKZCQRLFJSRY-IBGZPJMESA-N 292.382 3.592 30 20 CHED Cc1cc(OC(=O)c2ccnc3ccccc23)ccc1C#N 765112667 FJLSKUWNJYKFGV-UHFFFAOYSA-N 288.306 3.634 30 20 CHED C#CCN(C(=O)Nc1cc(C)c(F)cc1Cl)C(C)C 931374143 GZYMXENTZZEAGI-UHFFFAOYSA-N 282.746 3.663 30 20 CHED C#CCCCOc1cccc(NC(=O)OC(C)(C)C)c1 766751608 UPLLQDBMNXZZOM-UHFFFAOYSA-N 275.348 3.826 30 20 CHED C=C[C@H](COC)N[C@H](C)[C@H](C)c1ccc(Cl)cc1 1116865673 QQYYEDATHFRQPW-YWPYICTPSA-N 267.800 3.623 30 20 CHED C#CCN(C(=O)N[C@H](C)c1cccc2ccccc12)C1CC1 764672922 UELROROMFAGSQA-CQSZACIVSA-N 292.382 3.708 30 20 CHED Cc1cccc2oc(C(=O)N3CCC[C@](C)(C#N)C3)cc12 935351601 RUMKKHDYQMDFTI-QGZVFWFLSA-N 282.343 3.507 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@](C)(O)c1ccccc1Cl 765677191 LCBOGOZDQPUUQG-XEZPLFJOSA-N 281.827 3.738 30 20 CHED C#CCCc1noc(/C=C(\C)c2ccccc2Cl)n1 762009003 LRJXROXOOSGSLB-ZHACJKMWSA-N 272.735 3.849 30 20 CHED COCCCCNc1ccc(-c2cccc(C)c2C#N)cn1 863690358 PAQWNKFWKAWEOE-UHFFFAOYSA-N 295.386 3.767 30 20 CHED CSc1ccc(/C=C/C(=O)c2cscn2)cc1 769260741 OOAMKWFXBYMBCS-QPJJXVBHSA-N 261.371 3.761 30 20 CHED CC[C@@H](C)N(CC)C(=O)Nc1ccc(C#N)cc1Cl 930434396 RNCBYPYQXWXLCI-SNVBAGLBSA-N 279.771 3.864 30 20 CHED COc1cc(OC(=O)C2CCCCCCC2)ccc1C#N 767157900 JCQZVKYTRSIJOY-UHFFFAOYSA-N 287.359 3.833 30 20 CHED CC#CCCCC(=O)OCc1cc(-c2ccccc2)on1 767673335 QFDGTHLGXGPMSI-UHFFFAOYSA-N 283.327 3.578 30 20 CHED N#Cc1ccccc1COC(=O)c1ccc(F)c(Cl)c1 768085915 RSWYZMHASUUZKY-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CCn1nc(C=NNc2ccccc2)c2ccccc21 769766641 PIXSTLVCTPNCOD-UHFFFAOYSA-N 264.332 3.502 30 20 CHED Cc1cc(NN=Cc2cncs2)ccc1Br 767779417 MCESIUAMVYFSGG-UHFFFAOYSA-N 296.193 3.660 30 20 CHED N#Cc1ccccc1/C=C\C(=O)NCCC1=CCCCCC1 766558219 CSPMZPRZVSFJNV-QXMHVHEDSA-N 294.398 3.968 30 20 CHED CC#CCCOC(=O)CCSc1ccccc1Cl 765385871 GRGPQUZMOCJUJX-UHFFFAOYSA-N 282.792 3.779 30 20 CHED C=CCCC(=O)COC(=O)/C(C)=C\c1cccc(Cl)c1 761432317 YNIURSVJBODJAU-XFXZXTDPSA-N 292.762 3.822 30 20 CHED N#Cc1cc(NC(=O)C(F)=C2CCCC2)c(F)cc1F 876346632 NATKMLUDCZFNNA-UHFFFAOYSA-N 280.249 3.573 30 20 CHED C[C@H](NCC1CCC(C#N)CC1)c1cccc(O)c1F 872069661 RTLHCJADGUFQQR-HIFPTAJRSA-N 276.355 3.512 30 20 CHED C#CCCCCCCNC[C@@H](C)c1c(C)noc1C 877112474 VWVQKKUAKPPSRQ-CYBMUJFWSA-N 262.397 3.568 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc(CC(=O)O)cc1 777916049 TYTNWUYTZOVQIE-VQHVLOKHSA-N 298.313 3.657 30 20 CHED C[C@@H](OC(=O)c1cccc(F)c1C#N)c1ccc(F)cc1 778369772 JLIGGUPAIOKUDF-SNVBAGLBSA-N 287.265 3.754 30 20 CHED C#CCCOc1ccc(CNc2cc(C(C)C)on2)cc1 777518788 BZLQMNLHHAAFEO-UHFFFAOYSA-N 284.359 3.812 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCCOC[C@@H]1C 772987998 DUXPTJLWJLUBCP-CVEARBPZSA-N 298.471 3.803 30 20 CHED N#CCc1ccc(COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 776114491 NXYHUDDPYHXLPY-YESZJQIVSA-N 283.371 3.622 30 20 CHED Cc1ccc(F)cc1C=NNc1nncc2ccccc12 777878558 YCRSPAYYJRVMPH-UHFFFAOYSA-N 280.306 3.523 30 20 CHED CC(C)c1ccc(C=NO[C@H](C)c2ncccn2)cc1 882947017 HDUYQTDECSONAW-CYBMUJFWSA-N 269.348 3.712 30 20 CHED CCc1nn(C)c(Cl)c1C=NN[C@H]1CCCCC1(C)C 773122634 BOZQPRIJBYWQRU-ZDUSSCGKSA-N 296.846 3.528 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCO[C@@H](C#N)C1 775162663 XVIVXRLCJKFRTH-HOTGVXAUSA-N 294.439 3.514 30 20 CHED C=C1CCC(C(=O)OCc2nc(C)c(C)s2)CC1 885649622 DINSVBSLGJZPQE-UHFFFAOYSA-N 265.378 3.550 30 20 CHED C[C@H]1CCC(=NNc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 783784428 CTXNNLGYHSMHTH-QWRGUYRKSA-N 261.325 3.819 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C(=O)C(F)F)c1 787348071 YRTKONODKLFAIA-UHFFFAOYSA-N 291.322 3.528 30 20 CHED N#Cc1ccc(C2CCN(C(=O)c3ccsc3)CC2)cc1 887707579 SJFDRMSQUJDMKU-UHFFFAOYSA-N 296.395 3.640 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 781164258 PCGSGACWKCBYDH-KGLIPLIRSA-N 289.375 3.731 30 20 CHED C=CCOC(=O)c1cc2ccccc2n1CC(F)(F)F 786325343 LRAPIMPOXHKKNR-UHFFFAOYSA-N 283.249 3.546 30 20 CHED CCCc1ccc(C(=O)/C=C/c2c(Cl)cnn2C)cc1 780185119 ZDXSZCFYJIEPIE-MDZDMXLPSA-N 288.778 3.922 30 20 CHED CC(C)c1ccc2c(c1)C(=NOC[C@@H]1CCOC1)CCC2 788034593 SUGHADHKIRTNBZ-CQSZACIVSA-N 287.403 3.904 30 20 CHED CCC1(C(=O)OCc2ccc(C#N)cc2Cl)CCC1 784232888 FVKQCZWAIMOPRG-UHFFFAOYSA-N 277.751 3.835 30 20 CHED C=CCCCCCOC(=O)c1cnc2onc(CC)c2c1 783440604 VMFXQGCBGKKBPC-UHFFFAOYSA-N 288.347 3.688 30 20 CHED CC[C@@H](C#N)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786455197 CUDMHOKVQAORKE-RYUDHWBXSA-N 270.332 3.507 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)CNc1ccc(C#N)cc1 783095865 WSSJJAKLGCSCGG-CQSZACIVSA-N 294.354 3.583 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(C#N)ccc1F 1126756629 QWSZXLRZFKXXMZ-IAQYHMDHSA-N 288.366 3.642 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(-c2cnco2)cc1)C(C)(C)C 781554561 DTSWUUUUGSPKHZ-MRXNPFEDSA-N 297.354 3.936 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1coc(C(C)C)n1 899370638 JAXAVKHPJDMKDA-SREVYHEPSA-N 274.320 3.553 30 20 CHED C[C@@H]1CC(=NN[C@H]2CCCOC2)C[C@H](c2ccccc2)C1 780260212 JHLYJRYTUHZMGF-UAGQMJEPSA-N 286.419 3.715 30 20 CHED CC(/C=C\C(=O)c1cc(C)nn1C)=C\c1ccccc1 789158858 ILXXRYWBLHBRGT-AZQRDTPRSA-N 266.344 3.571 30 20 CHED C#CCC1(C(=O)NCCCSCC(C)C)CCCCC1 788235002 PZMKEMBGDHXLCC-UHFFFAOYSA-N 295.492 3.856 30 20 CHED C#C[C@H](CC)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786492286 FADHGJXPOMWYFA-CHWSQXEVSA-N 269.344 3.617 30 20 CHED CC(C)[C@@H](O)C(C)(C)CNc1ccc(Cl)cc1C#N 301827250 PNUOTWUPHUXYPO-CQSZACIVSA-N 280.799 3.667 30 20 CHED CCCCCCCN1CC[C@@H](CN(C)CC2CC2)C1 746670421 ZYIYGKJXBHXKMW-KRWDZBQOSA-N 266.473 3.621 30 20 CHED N#Cc1ccc(CN2CC[C@H](C3CCCC3)C2)c(F)c1 708816600 FFLATFPAMWKRQQ-HNNXBMFYSA-N 272.367 3.709 30 20 CHED Fc1ccc(CC=NNc2ncccc2F)c(Cl)c1 794982513 YGYCILVGWAAPJZ-UHFFFAOYSA-N 281.693 3.654 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc(C)c(F)c1 798375088 FFOQYLLPQWCNNY-NSHDSACASA-N 266.385 3.775 30 20 CHED Oc1ccccc1/C=N\Cc1c(F)cc(F)c(F)c1F 797399281 WFHNKBOQQDEWLT-SWNXQHNESA-N 283.224 3.568 30 20 CHED COc1cccc(CC(=NNc2cccc(F)n2)C2CC2)c1 795007939 SCXFTXFTSUMDPI-UHFFFAOYSA-N 299.349 3.650 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C)c1ccc(CC)cc1)C(C)C 799048351 GZFLNWQZQOIGPX-RHSMWYFYSA-N 271.404 3.517 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc(N)c([N+](=O)[O-])c1 799107528 DVSZVQUUBVHBSM-UHFFFAOYSA-N 298.346 3.630 30 20 CHED Cc1cccnc1NN=C1C[C@@H](OCC(C)C)C1(C)C 790185742 MUAZGHQIGFFCEZ-CQSZACIVSA-N 275.396 3.629 30 20 CHED COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2O)ccc1O 799895098 KZFHLIYDDUUQBS-FNORWQNLSA-N 298.338 3.619 30 20 CHED Cc1cc(N2CCSC3(CCCCC3)C2)cc(C#N)n1 581255370 CLZHANNAOBAXQM-UHFFFAOYSA-N 287.432 3.518 30 20 CHED Cc1ccc(C(=O)N2CCC(C)(C(C)C)CC2)cc1C#N 799723915 XTRFWMSOLSTDKO-UHFFFAOYSA-N 284.403 3.765 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2ccc(C#N)cn2)CC1 584756988 QBPLEKKPTUISHH-HNNXBMFYSA-N 271.408 3.601 30 20 CHED CC(C)(C)Nc1ccccc1NCc1ccc(C#N)o1 798500185 JVSFDHJHJCLMHW-UHFFFAOYSA-N 269.348 3.974 30 20 CHED CC1(C)[C@H]2OCCC[C@H]2[C@H]1Nc1ccc(C#N)c(Cl)c1 85672088 IMVKRDYYSKYBKI-CFVMTHIKSA-N 290.794 3.827 30 20 CHED C=CC[C@@H](C)NCCC1CCN(C(=O)OC(C)(C)C)CC1 695261976 XCTRBNQLEABHNU-CQSZACIVSA-N 296.455 3.578 30 20 CHED C=CCCSCCNCc1ccc2occc2c1 594959766 CQNCKJJSXDZOSU-UHFFFAOYSA-N 261.390 3.832 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@H]([C@@H]2CCCCO2)C1 595787023 FMHAKGWJHPPQAE-CVEARBPZSA-N 278.440 3.597 30 20 CHED CCOC(=O)[C@@H](Sc1ccc(C#N)cc1F)C(C)(C)C 1307304787 CMHFSVUOUXBFMZ-CYBMUJFWSA-N 295.379 3.767 30 20 CHED CCSc1ccc([C@H](C)Nc2cc(C#N)nc(C)n2)cc1 1306962250 OBOIXDKFFXGQRE-NSHDSACASA-N 298.415 3.942 30 20 CHED Cc1cc(N2CC[C@@H](c3ccccc3)[C@H](C)C2)c(C#N)cn1 1162618879 LJSOYGVMQWLGHK-RDTXWAMCSA-N 291.398 3.892 30 20 CHED N#Cc1ccc(CCSc2cccc(O)c2)cc1 1165959427 IWDDKFCCFSPGBE-UHFFFAOYSA-N 255.342 3.599 30 20 CHED C[C@H](OC(=O)CC#Cc1ccccc1)c1ccccc1F 1319137317 PTKYFESFJXYSPX-AWEZNQCLSA-N 282.314 3.872 30 20 CHED COc1ccc([C@@H](Nc2cccc(CC#N)n2)C(C)C)cc1 1325710236 MGJXYZLSIHNIQC-SFHVURJKSA-N 295.386 3.965 30 20 CHED CSCCON=C(C)c1ccccc1SC 1321350314 PFBLOWUEOINPFP-UHFFFAOYSA-N 255.408 3.512 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(CCC(N)=O)cc1 1325315293 NHAWBYKVYMJNLP-AWEZNQCLSA-N 274.408 3.651 30 20 CHED C=CCCCCNC(=O)C1(Sc2ccccc2)CC1 1320368474 WLPOGUKEKSPAIO-UHFFFAOYSA-N 275.417 3.784 30 20 CHED N#CC1(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 1254565380 MQUCAXICABWJJS-ZDUSSCGKSA-N 294.320 3.798 30 20 CHED N#CCc1cccc(C(=O)NC2(C3CCCCC3)CC2)c1 1333628375 VPTCSEGHRHXGNQ-UHFFFAOYSA-N 282.387 3.595 30 20 CHED N#Cc1ccnc(CN2CCCC3(CCCCC3)CC2)c1 1193437587 GAEFJSYNUPRFSC-UHFFFAOYSA-N 283.419 3.890 30 20 CHED C=C[C@H](Cc1nnc(C2CCC2)o1)c1ccccc1 1341505057 ROJGELNZLSGXOX-GFCCVEGCSA-N 254.333 3.849 30 20 CHED C=C(CC)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 1347416524 OHNUVHFGCBSUSG-NSHDSACASA-N 275.245 3.512 30 20 CHED CC[C@H](NCc1cc(C#N)ccn1)c1ccc(C)c(F)c1 1192880440 BCSYNOCQSOEOGG-KRWDZBQOSA-N 283.350 3.642 30 20 CHED CN(Cc1cc2ccccc2[nH]1)CC(C)(C)CCC#N 1341568685 AVFBZIMLRHPKGN-UHFFFAOYSA-N 269.392 3.930 30 20 CHED CC[C@@](C)(NC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 1287667141 RLLWYARSSDRLMG-GOSISDBHSA-N 296.345 3.753 30 20 CHED Cc1cc(Cl)cc(C(=O)[C@H](C#N)c2cccc(F)n2)c1 1516710879 PNAZGTJHIOLCQL-GFCCVEGCSA-N 288.709 3.673 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2cc(C#N)ccc2F)s1 1518653870 CKKAGNHUNZILNL-JTQLQIEISA-N 288.347 3.558 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N 224446277 KYSDGPWKHRMENF-UONOGXRCSA-N 291.376 3.553 30 20 CHED C[C@@H](C#N)Sc1ncc(-c2ccc(Cl)cc2)[nH]1 1459292955 WOBGUFNJGPKOKT-QMMMGPOBSA-N 263.753 3.734 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 1459267204 IZTWBSJQBVJMIO-SOUVJXGZSA-N 278.440 3.990 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2ccc3c(c2)CCCC3)C1 1528490678 RULLWPFEHXKRGP-YJBOKZPZSA-N 297.398 3.733 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2sccc2C#N)CC1 1523533204 VJNZIZBPLCMOHD-OCCSQVGLSA-N 290.432 3.954 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2ccc3scnc3c2)c1 1529253597 MBTJKXADMSWMIX-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 1521858394 KHDIMHKCDOJTDD-BBRMVZONSA-N 285.391 3.593 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2ccc(C)c(C#N)c2)c1 1531931532 YGCTUDSJTQWZCI-UHFFFAOYSA-N 292.382 3.840 30 20 CHED CCCc1ccc(C(=O)Nc2ccc(OC)c(C#N)c2)cc1 1532696923 PXBZPISFABOGIN-UHFFFAOYSA-N 294.354 3.772 30 20 CHED N#C[C@H](Sc1ccc(C(=O)O)cc1)C1CCCCC1 1601050239 WJKYUBQYHGCMLE-AWEZNQCLSA-N 275.373 3.949 30 20 CHED Cc1ccc(NN=Cc2cscc2Cl)cc1C(=O)O 1600463434 YDCSFSIIXADUFH-UHFFFAOYSA-N 294.763 3.854 30 20 CHED CC(C)[C@@H]1CN(C(=O)Nc2sccc2C#N)[C@@H]1C(C)C 1467002772 ZVCWTAXQSCDWID-QWHCGFSZSA-N 291.420 3.764 30 20 CHED CCCCCCCCC(=O)Nc1ccc(OC)c(N)c1 116308689 VNOHDKSVZOOMMA-UHFFFAOYSA-N 278.396 3.967 30 20 CHED CC[C@H]1CCCC[C@H]1CNc1nc(C)ccc1C#N 1472792679 AEFINOFBJXSFLG-ZFWWWQNUSA-N 257.381 3.890 30 20 CHED CCC(=O)c1ccc(OCc2ccccc2C#N)cc1 3573559 WKMBMBRYTNOYJR-UHFFFAOYSA-N 265.312 3.730 30 20 CHED N#Cc1cnnc(NCC2(c3ccccc3)CCCCC2)c1 1559060263 FMZUSVLEHVRRJR-UHFFFAOYSA-N 292.386 3.662 30 20 CHED Cc1ccc2[nH]cc(CCNc3nc(C)ccc3C#N)c2c1 1559301219 QGYISDBPVLKJHZ-UHFFFAOYSA-N 290.370 3.706 30 20 CHED C[C@H](c1ccc(C(C)(C)C)cc1)N1CC(C)(C#N)C1 1642930620 RHOMWOUONRRBKY-CYBMUJFWSA-N 256.393 3.891 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 122278551 YVVOYONJYDRSLU-SNVBAGLBSA-N 270.298 3.906 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1 5128941 XABCTDQRSNMHJU-BQYQJAHWSA-N 298.338 3.609 30 20 CHED CC(C)(C)C[C@@H]1CCN(Cc2cc(C#N)ccn2)C1(C)C 1646129268 FFUUSVPUXRDUPM-HNNXBMFYSA-N 285.435 3.990 30 20 CHED COc1cc(CSc2ccc(C#N)c(C)c2)sn1 1652058056 DCTYXUAKQHDQOI-UHFFFAOYSA-N 276.386 3.624 30 20 CHED CCc1ocnc1C(=O)Nc1cc2ccccc2cc1C#N 1583717957 YSVDTHJBWLAGJG-UHFFFAOYSA-N 291.310 3.514 30 20 CHED C[C@H]1C[C@H](C)CN(CCSc2cccc(F)c2C#N)C1 1652860841 DBXLHDATRNADAD-STQMWFEESA-N 292.423 3.767 30 20 CHED C[C@@H](CC(F)(F)F)Nc1nc(C(F)(F)F)ccc1C#N 231749727 QISQNAIMXNDAAI-LURJTMIESA-N 297.202 3.725 30 20 CHED CCc1ccc(CNc2cc(C#N)ccc2[N+](=O)[O-])s1 231774745 ABCGREAIDWNMHS-UHFFFAOYSA-N 287.344 3.702 30 20 CHED C[C@@H](Cc1cccs1)N(C)Cc1cccc(F)c1C#N 1658980237 ZISVWEXJANLRCX-LBPRGKRZSA-N 288.391 3.822 30 20 CHED N#CCc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 8062187 CWOPSZDYGUGBER-RMKNXTFCSA-N 280.302 3.544 30 20 CHED Cc1ccccc1CC1CN(Cc2ccc(C#N)cc2F)C1 1660322732 YSMYOQVBOQGUQM-UHFFFAOYSA-N 294.373 3.680 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(C(F)(F)F)cc1 233293367 RZONZVXUXOKMNA-NSHDSACASA-N 284.281 3.629 30 20 CHED CC1(C)[C@H]2CC(=NNc3ccc(Cl)c(C(=O)O)c3)C[C@H]21 1776034441 HHPLLDQTVHZMIU-TXEJJXNPSA-N 292.766 3.872 30 20 CHED C=CCC(CC=C)C(=O)Nc1sc(CC)cc1C#N 160185050 LQZYYJXKAYHQLU-UHFFFAOYSA-N 274.389 3.889 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1ccsc1 165441278 BSTLFOPKJXHJJT-UHFFFAOYSA-N 256.374 3.560 30 20 CHED N#Cc1c(Br)cccc1N1Cc2ccccc2C1 168526004 NWYMLCGLZYAQLZ-UHFFFAOYSA-N 299.171 3.841 30 20 CHED CCOCCC1(CNCc2ccc(C#N)cc2)CCCC1 151875616 WLMFWTRHHZIQSC-UHFFFAOYSA-N 286.419 3.635 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccccc1Br 157232432 MEAUAYLGKAMBSV-NXEZZACHSA-N 254.171 3.674 30 20 CHED N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)[nH]1 159612536 NJSGHCPDGYCYOP-KRWDZBQOSA-N 293.370 3.548 30 20 CHED C#Cc1cccc(CN[C@H]2c3ccccc3C[C@@H]2C)c1 834904596 ZPSUGEWIXNUJNT-IFXJQAMLSA-N 261.368 3.691 30 20 CHED CC1=CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 128058300 SJEYTQZAWSNPCH-UHFFFAOYSA-N 266.266 3.733 30 20 CHED N#Cc1cccc(NCc2ccc(OC(F)F)cc2)c1 19921913 YWFKSUTXYOHECA-UHFFFAOYSA-N 274.270 3.772 30 20 CHED N#Cc1ccc(NCc2ccccc2C(F)(F)F)cn1 149387547 XBKGYTIXNNVPPN-UHFFFAOYSA-N 277.249 3.584 30 20 CHED N#Cc1ccc(NCCOCc2ccccc2)cc1Cl 301486796 YADMPZRCXOFPIV-UHFFFAOYSA-N 286.762 3.840 30 20 CHED C=C[C@H](C)N[C@H]1CCCc2cc(Br)ccc21 309573293 OFHJCLOIBKENPE-HZMBPMFUSA-N 280.209 3.991 30 20 CHED C=CCCCCNCc1ccccc1N1CCCC1 311819103 HVRBLXJOXCHOIK-UHFFFAOYSA-N 258.409 3.733 30 20 CHED C=C(CC)CN[C@@H]1CCSc2c(F)cccc21 313489376 RTUBAGNUOJYHDK-CYBMUJFWSA-N 251.370 3.918 30 20 CHED CC(C)(C#N)CNC(=O)c1sccc1-c1ccccc1 611694699 ZYNMPYKLAAMGDS-UHFFFAOYSA-N 284.384 3.695 30 20 CHED N#Cc1cc(F)c(NCc2cc(F)cc(F)c2)c(F)c1 354711309 UIHDMHAIMAHBCC-UHFFFAOYSA-N 280.224 3.727 30 20 CHED N#Cc1cccc(CCN[C@H]2CCC[C@@H](C3CC3)C2)c1 467446340 DNFHVFPOEODKHZ-MSOLQXFVSA-N 268.404 3.659 30 20 CHED C=CCCCCCNc1ccc(N2CCCC2=O)cc1 571150602 IXWIEGHPFGAFNF-UHFFFAOYSA-N 272.392 3.972 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccc(C)cc1C 57740725 SMFSGYIZXRTWMT-UHFFFAOYSA-N 262.422 3.898 30 20 CHED CC[C@@](C)(C#N)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 103078722 KVPHVQHIVBKFEK-OCCSQVGLSA-N 298.308 3.531 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 104416653 GNTMYBSAHLZYMH-SJKOYZFVSA-N 292.338 3.945 30 20 CHED Cc1nc2ccccc2nc1COc1ccc(C#N)cc1F 178390151 YYNCJFZKLFMBDB-UHFFFAOYSA-N 293.301 3.528 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)N(C)C)cc1 100315164 JWILQWWRIRWCBS-UHFFFAOYSA-N 290.407 3.687 30 20 CHED C=C(C)CN(CC)C(=O)CCC(=O)c1ccc(Cl)cc1 57157944 IRSOECHFBSCCQO-UHFFFAOYSA-N 293.794 3.728 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)c(Br)c1 119928423 OSLKGADPNFGLPF-UHFFFAOYSA-N 298.155 3.720 30 20 CHED CC[C@](C)(NCc1cccc(C#N)c1)c1nc(C)cs1 174505930 IVNYMUAFMVKIKR-INIZCTEOSA-N 285.416 3.738 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc(C)c1 106422085 UEBLSGKUTAHONC-UHFFFAOYSA-N 258.365 3.587 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](CC)c1cccc(OC)c1 119775303 RIHVKJVDNBJENX-BBRMVZONSA-N 292.375 3.671 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CCc2c(Cl)cccc21 116949449 JMLQUVXKGLQJHG-QMTHXVAHSA-N 278.783 3.591 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2NCC2(C#N)CCC2)cc1 418137953 FPFFYTUZYWODAQ-DLBZAZTESA-N 268.404 3.915 30 20 CHED N#Cc1ccc(CNC2(c3ccccc3)CCC2)s1 176958915 MZNYUDYFLOEMIS-UHFFFAOYSA-N 268.385 3.789 30 20 CHED C[C@@H]1CC[C@H](Nc2nc(Cl)c(C#N)s2)C[C@H]1C 300143717 WRAGAWWYIQQRRE-HLTSFMKQSA-N 269.801 3.905 30 20 CHED CCCCCCOc1ccc(C(=O)N(CC)CC#N)cc1 68241552 JXUBFFBTGRZCOR-UHFFFAOYSA-N 288.391 3.631 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 116941880 QQLNXRPWDHYSNN-KBPBESRZSA-N 290.407 3.799 30 20 CHED CC(C)C1CCC(NC(=O)c2cccc(CC#N)c2)CC1 178014988 KGVAESAYNWCDRE-UHFFFAOYSA-N 284.403 3.697 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC1CCCC1 126357320 TTYVYWPJOJSZHU-UHFFFAOYSA-N 263.406 3.843 30 20 CHED C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)c1ccc(C#N)cc1 126628952 ONIUOWBEWURUQV-KBPBESRZSA-N 280.371 3.546 30 20 CHED CCOc1ccccc1[C@@H](CC)NCCCCC#N 179744443 HBQKGLZMLFJVTB-OAHLLOKOSA-N 260.381 3.820 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1OC(F)F 121845543 RCUIAUSHGJHZGV-UHFFFAOYSA-N 281.302 3.995 30 20 CHED C#CCCCCC(=O)Nc1cc(C(C)=O)ccc1Cl 121447974 JIQRACICCVDUDL-UHFFFAOYSA-N 277.751 3.675 30 20 CHED C[C@H](NCCCC#N)c1cccc(OC(F)(F)F)c1 181909699 VDUJBPHVELQQQE-JTQLQIEISA-N 272.270 3.540 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(-c2nc(C)no2)cc1 182593915 NIVMPZJYFDKYMR-LBPRGKRZSA-N 299.374 3.520 30 20 CHED N#Cc1ccc(/C=C/c2ccc(Cl)cc2F)nc1 187837649 KEIJKIACNZLLFU-ZZXKWVIFSA-N 258.683 3.916 30 20 CHED C#CCCCCC(=O)N[C@@H](C)CSc1ccc(C)cc1 185221454 ILNRGRZYBUOYBK-HNNXBMFYSA-N 289.444 3.785 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)c1 121161876 DQDKCJHBTLPCDD-KBPBESRZSA-N 286.375 3.515 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1CCCCC#N 186047141 WYWVRUMKAVNMJF-QGZVFWFLSA-N 256.393 3.777 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)C1(C)CC1 181097283 JVPFHKPPDNUIHA-CHWSQXEVSA-N 252.402 3.561 30 20 CHED C=C(C)CN(C)Cn1ccc(=S)c2ccccc21 182630428 HISIHSADHGNKDR-UHFFFAOYSA-N 258.390 3.836 30 20 CHED CC[C@@H](CC#N)OC(=O)/C=C/c1nc2ccccc2s1 187940804 AJCYQSSLRXLEII-AEZGRPFRSA-N 286.356 3.545 30 20 CHED C=CCC1(C(=O)N2CC[C@H](Cc3ccccc3)C2)CCC1 188046239 DYYWQNHIRWFEKE-QGZVFWFLSA-N 283.415 3.824 30 20 CHED C=CCSCc1nnc(-c2ccc(Cl)cc2)n1C 185077694 JGYKUXRCBMGPLF-UHFFFAOYSA-N 279.796 3.555 30 20 CHED CC(C)N(C(=O)c1cccc(CC#N)c1)c1ccccc1 79836619 MEELUQATEJBGAF-UHFFFAOYSA-N 278.355 3.808 30 20 CHED CC[C@H](Cc1ccccc1)N(C)CCCSCC#N 74991532 BQTYXZDLGRUXNM-MRXNPFEDSA-N 276.449 3.586 30 20 CHED C=CCCC[C@H](C)NC(=O)/C=C/SCc1ccco1 182640324 WSXDAPATSOLTNJ-STRFDMGBSA-N 279.405 3.888 30 20 CHED CC(C)(CCC#N)CNc1cc(C(F)(F)F)cnc1C#N 413305067 UBTIAHMAMJNTII-UHFFFAOYSA-N 296.296 3.714 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccsc1Cl 186959064 WKBOKIUEODDIJS-LBPRGKRZSA-N 273.785 3.569 30 20 CHED N#Cc1ccc(OCCOc2cc(Cl)ccc2C#N)cc1 314769174 KXCROGKJIJPEKM-UHFFFAOYSA-N 298.729 3.541 30 20 CHED Cc1cc(CN[C@H](C)c2ccccc2)ccc1C#N 488129839 OMHSTKDNDQBPDY-CQSZACIVSA-N 250.345 3.718 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N1CCCc2cc(C#N)ccc21 411002513 PMIIOXMWESGZEW-YJBOKZPZSA-N 282.387 3.520 30 20 CHED N#Cc1cc(CN[C@H](Cc2ccccc2)C2CC2)ccc1F 183411170 PXCVUTPRBHAZTG-LJQANCHMSA-N 294.373 3.808 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2ccc(C(F)(F)F)cc2)C1 185753439 LZPQSUXZKLZSLG-ZFWWWQNUSA-N 296.336 3.920 30 20 CHED C=C(C)CN(C)C(=O)[C@H](CC)Sc1ccccc1 180386246 YUMIKGQNBYJPAX-AWEZNQCLSA-N 263.406 3.592 30 20 CHED C=CCc1ccccc1OCc1c(CC)noc1C 122547100 PYWFVZYLHZRSNP-UHFFFAOYSA-N 257.333 3.853 30 20 CHED N#CCc1ccc(CN2CCCC3(CCCC3)C2)cc1 445863978 QBRCOBBPJUKKJR-UHFFFAOYSA-N 268.404 3.909 30 20 CHED Cc1cccc(N(C)Cc2ccc(O[C@H](C)C#N)cc2)c1 184735919 AYRLIKFGMMNHEC-OAHLLOKOSA-N 280.371 3.922 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 504585983 QJHWGYLOOKJOLT-WDMOLILDSA-N 278.783 3.703 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H](C)c1ccc2c(c1)CCC2 419589331 PYYABPPXBPTUJT-QWHCGFSZSA-N 289.444 3.660 30 20 CHED Cc1cccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)c1 181303710 POOYTSVSDYGMNN-CYBMUJFWSA-N 295.342 3.930 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2cccc(C)c2o1 410139880 NGBNDJOTBQUVQQ-ZDUSSCGKSA-N 257.333 3.826 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccccc1Cl 184907364 HHDSONYWFGAQQH-GFCCVEGCSA-N 263.768 3.711 30 20 CHED O/C(=N/Cc1cccs1)Nc1cnc2c(c1)CCCC2 329480181 VMHUFAQRCVZWTD-UHFFFAOYSA-N 287.388 3.548 30 20 CHED C=CCN(Cc1nc(CC(C)C)no1)Cc1cccs1 42679687 PGCVMSXGWHVUKF-UHFFFAOYSA-N 291.420 3.518 30 20 CHED Cc1nc(C2CC2)oc1C(O)=Nc1cc(C)c2c[nH]nc2c1 329517955 NIVZLVMVDJSZKF-UHFFFAOYSA-N 296.330 3.681 30 20 CHED CC(C)CCSCC(=O)N[C@H](C)c1ccc(C#N)cc1 48951545 LBSBUGANRPDVDA-CYBMUJFWSA-N 290.432 3.515 30 20 CHED Cc1ncc(N=C(O)[C@@H]2C[C@@H]2C2CCCCC2)cn1 329585137 RCHYZQHKIVEIJR-ZIAGYGMSSA-N 259.353 3.589 30 20 CHED COc1cc(CS[C@H](C)c2ccc(C#N)cc2)ccn1 419427266 RRFCLSQPGRTQFE-GFCCVEGCSA-N 284.384 3.956 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CC#N)c2ccccc12 412413521 DSNVEPZSRUZFQB-UHFFFAOYSA-N 280.371 3.818 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1CCc2ccccc21 48552965 SLWFOLIGYPJNKW-LLVKDONJSA-N 275.764 3.768 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H]1CCCC(C)(C)C1 529471500 YGCMHEMIDDDFLH-CYBMUJFWSA-N 264.413 3.649 30 20 CHED COc1cccc(CSc2ccccc2C#N)c1 194912172 ONKVRQQFXPTSIA-UHFFFAOYSA-N 255.342 3.859 30 20 CHED C[C@@H]1SCCN(Cc2ccccc2C(C)(C)C#N)[C@@H]1C 135239457 ZDNUWOGATWEWFE-KGLIPLIRSA-N 288.460 3.814 30 20 CHED C=CCC(C)(C)c1nc([C@H]2CCOc3ccccc32)no1 426429283 WXUQPMJXYPZUGH-ZDUSSCGKSA-N 284.359 3.838 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCCC(F)(F)F 421199131 MFACFETUHMVIEU-UHFFFAOYSA-N 263.646 3.851 30 20 CHED CC[C@@H]1CC[C@H](C(O)=Nc2scnc2C2CC2)O1 328902763 GZLJMMRWJWDQCR-NXEZZACHSA-N 266.366 3.566 30 20 CHED Cc1csc(C2(/N=C(/O)C[C@@H]3CCOC3)CCCC2)n1 329851051 QLKQSXNGBYLQIH-LBPRGKRZSA-N 294.420 3.604 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccc(C#N)cn2)c1 48625950 NJGCCYWSBBKCHK-INIZCTEOSA-N 263.344 3.603 30 20 CHED CCC(CC)N(CC(C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1 425854207 XEFCJMARVISGLZ-UONOGXRCSA-N 279.428 3.535 30 20 CHED C[C@@H]1CCN(Cc2cccc(F)c2C#N)C[C@@H](C)C1 428294435 GHOUICGSUXVPPA-OLZOCXBDSA-N 260.356 3.565 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC(C)(C(C)C)CC1 338127111 VYNBMWUMRCQGOL-UHFFFAOYSA-N 284.403 3.765 30 20 CHED CC[C@]1(C)CCCN(C(=O)/C=C/c2ccccc2C#N)C1 81320452 AVJZVJOEDLFINE-QZEKMECESA-N 282.387 3.610 30 20 CHED N#Cc1ccc2nc(N3CCC(C(F)F)CC3)ccc2c1 336532129 IZYYIXIZHSYXJB-UHFFFAOYSA-N 287.313 3.588 30 20 CHED Cc1ccncc1/C(O)=N/[C@@H](CC(=N)O)C1CCCCC1 331034229 KYFVYNOMDHFSHE-AWEZNQCLSA-N 289.379 3.569 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 335206862 HSYRAVDAIIIMIO-LBPRGKRZSA-N 291.354 3.616 30 20 CHED C[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 335888363 KHZARPOUWHRLSG-OLZOCXBDSA-N 285.391 3.750 30 20 CHED Cc1ccc(-c2ncc(CN(C)[C@@H](C)CC#N)s2)cc1 93091181 NUVGEUYAJLYLMY-ZDUSSCGKSA-N 285.416 3.853 30 20 CHED CCC1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCCC1 333591088 SSLJRSSKQRVSQV-QGZVFWFLSA-N 274.408 3.547 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1(c2ccccc2)CC1 431921444 BTTGSHKERXTOJM-UHFFFAOYSA-N 291.354 3.678 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCCc2ccccc21 510465900 SSIAPAYNBMNTBB-UHFFFAOYSA-N 290.366 3.850 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC12CCCC2 335082070 CDUOZOGNTMKSIH-CZUORRHYSA-N 282.387 3.658 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)c1cccc(SCC#N)c1 335194314 SNYHWWDEMNQEQD-LBPRGKRZSA-N 288.416 3.705 30 20 CHED CS[C@H]1CCCCN(CC(C)(C)CCC#N)C1 92064331 ZAVLNDRQORSYQY-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED CC(C)(C)C[C@@H](/N=C(/O)c1csc(O)n1)C(F)(F)F 331013664 OCARJCKVJKNMSJ-SSDOTTSWSA-N 296.314 3.520 30 20 CHED C=CCN(CC=C)C(=O)c1csc2c1CC[C@H](C)C2 98074390 VQEFFMJGHHZXPN-LBPRGKRZSA-N 275.417 3.687 30 20 CHED C=C(C)CCNc1ccc(C(=O)N[C@@H](C)CC)cc1C 520884352 VAMHAQUNLYEAES-AWEZNQCLSA-N 274.408 3.901 30 20 CHED C=CCCOCCCCC(=O)Nc1sc(CC)nc1C 341650809 RTTWLMKALRYKQG-UHFFFAOYSA-N 296.436 3.715 30 20 CHED Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc(C)c1F 434014983 HCXLTYVGFBGULH-CQSZACIVSA-N 288.366 3.597 30 20 CHED C[C@@H](CC(=O)NCCCC#N)c1ccc(C(F)(F)F)cc1 342647761 GQJSIZGNWNKIDL-NSHDSACASA-N 298.308 3.619 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1 346894847 KFPJIRCPNSOAAB-UHFFFAOYSA-N 299.761 3.896 30 20 CHED Cc1nc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1C#N 245840041 YNPKVUQNPBTCBD-OFQRWUPVSA-N 298.386 3.777 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CC)Cc1ccc(Cl)cc1 523940150 XUHSFAVHFNNUMF-SWLSCSKDSA-N 294.826 3.925 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc2ccccc2n1 342699510 OVMYHOVVVJMXEE-UHFFFAOYSA-N 298.386 3.936 30 20 CHED C[C@H](NC(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 435155805 QOUOWAWUXQFHKG-NSHDSACASA-N 289.354 3.788 30 20 CHED C=CC[C@@H]1N(C(=O)c2sc(C)nc2C)CCCC1(C)C 347419148 OSHJRBUZUYKMMT-ZDUSSCGKSA-N 292.448 3.967 30 20 CHED N#CCC1(CNCc2cnc(-c3cccs3)s2)CC1 430021249 RBTAMLBVGYQVNO-UHFFFAOYSA-N 289.429 3.655 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)C(C)(C)C 524537670 ZJDAWNWUZGICCI-CQSZACIVSA-N 289.419 3.892 30 20 CHED C[C@@H](NC(=O)c1cccc2c1CCC2)c1ccc(C#N)cc1 342923861 SMSXCBQFXJRPSO-CYBMUJFWSA-N 290.366 3.538 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(-n2nccc2C)cc1 343253834 BCZUDRMAPMRZPD-AWEZNQCLSA-N 297.402 3.655 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@H](C)c1ccccc1 432563527 TWYGZUAUHJUMIU-CQSZACIVSA-N 274.408 3.991 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2ccccc21 435674416 QRLYMXBCUVMCRG-JQHSSLGASA-N 271.404 3.635 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@@H](C)c2cccs2)no1 346601060 FJBGWUPLHALLSW-QMMMGPOBSA-N 285.328 3.723 30 20 CHED C[C@]1(C/N=C\c2cc(Cl)ccc2O)CCCS1 255898344 ZVHROKDMIKCPFN-ATDKOCKZSA-N 269.797 3.750 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C#N)cs2)c(O)c1 255405377 MGRUEBAEYSTWIX-HYXAFXHYSA-N 269.325 3.530 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(C[C@H](C)CCC#N)[C@H]2C 602598884 ZMZNFQSNYXEBCL-ILXRZTDVSA-N 286.419 3.943 30 20 CHED Cc1ccc([C@H]2CCCN2Cc2cccc(C#N)n2)cc1 602435950 MFEQDSPTWJZDDR-GOSISDBHSA-N 277.371 3.599 30 20 CHED Cc1ccc(/C=C\c2nc(C(=O)O)ccc2C#N)cc1Cl 435749014 QRBMRSBNVVGEAM-XQRVVYSFSA-N 298.729 3.784 30 20 CHED N#CCc1ccccc1C(=O)N1CCC2(CCCCC2)CC1 601031887 SEHMWVCLFHZTAN-UHFFFAOYSA-N 296.414 3.939 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(F)cc1Cl 255670288 BJLJBPUROLNDLN-ALCCZGGFSA-N 292.741 3.726 30 20 CHED C[C@@H](CC#N)NCCOC(c1ccccc1)c1ccccc1 602866429 ZZTUMCRCFRDWJS-INIZCTEOSA-N 294.398 3.684 30 20 CHED CC1(C#N)CCC(NCCc2cccc(F)c2F)CC1 449137507 FUVOLXYHEQRKKA-UHFFFAOYSA-N 278.346 3.569 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](C)c1ccco1 607462226 OEEWKSCSOCGWCD-CQSZACIVSA-N 269.344 3.598 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)Nc2c[nH]nc2C#N)cc1 602365829 UAOVMKVMEWPHCI-GFCCVEGCSA-N 296.374 3.537 30 20 CHED COc1ccccc1/C(C)=C\C(=O)Nc1ccccc1C#N 255215721 PIGPQBMBNXQQIA-QBFSEMIESA-N 292.338 3.609 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCc3c(F)cccc32)c1 449353244 ZGROAKWWNXRZFY-GOSISDBHSA-N 280.346 3.865 30 20 CHED C[C@H](CCC#N)CN1CCc2c(F)cc(F)cc2[C@H]1C 602483959 KJTQUWWDPOBYEX-VXGBXAGGSA-N 278.346 3.824 30 20 CHED Cc1ccccc1C(=O)Nc1cc(C#N)ccc1NC1CC1 355395019 UKRPGBGXPQMBCM-UHFFFAOYSA-N 291.354 3.693 30 20 CHED COc1ccc(C)cc1CN(CCC#N)CCC(C)C 353421441 JUKWOFQALVCWGZ-UHFFFAOYSA-N 274.408 3.765 30 20 CHED C[C@H](CCC#N)CNCC1(Sc2ccccc2)CC1 602541545 WQFXFEXVVYEFLU-CQSZACIVSA-N 274.433 3.841 30 20 CHED C=CCCCN1CCN(c2cccc3cnccc23)C[C@H]1C 447402727 LTSAWLFRCIWQNM-MRXNPFEDSA-N 295.430 3.712 30 20 CHED CC(C)(C)OC(=O)CS[C@@H](C#N)CCc1ccccc1 601081235 MQLDQFHORUIUHC-CQSZACIVSA-N 291.416 3.586 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2ccc(OC)cc2)CCCC1 265317202 HGSIFGJIDCVNHQ-CQSZACIVSA-N 287.403 3.588 30 20 CHED N#Cc1ccc(CN2CCCSc3ccc(F)cc32)o1 356354033 ZWSNJWSVJBVJEZ-UHFFFAOYSA-N 288.347 3.793 30 20 CHED C=CC[C@H](CO)CNC1CCC(C)(c2ccccc2)CC1 539298196 PMOBWMASIGREGH-IVMQYODDSA-N 287.447 3.661 30 20 CHED CC(C)C(C)(C)CNC(=O)C[C@@H](CC#N)c1ccccc1 356982389 WDEUZCRISKAQRA-MRXNPFEDSA-N 286.419 3.872 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(C)Cc1ccc(C#N)cc1 534137327 VOVPFHBUZGEVTN-CYBMUJFWSA-N 272.392 3.589 30 20 CHED C=CCC1(C(=O)Nc2nnc(CCCCC)s2)CCC1 359166500 KHNGNKFPLIUMJI-UHFFFAOYSA-N 293.436 3.956 30 20 CHED CC(C)N(CCN(C)[C@H](C)c1cccc(C#N)c1)C(C)C 442897859 NILNZDDZINBPJM-MRXNPFEDSA-N 287.451 3.670 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1nc(C2CCC2)cs1 442073455 AILLGIWWAPCAQC-NSHDSACASA-N 279.409 3.887 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1cnc2ccccc2n1 618693624 LBHWMMTVNCIPQS-HNNXBMFYSA-N 286.338 3.601 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCO[C@H](C3CC3)C2)n1 613430512 RHRZCMLHYSYFNE-GJZGRUSLSA-N 299.418 3.620 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cc(Cl)ccc1OCC 539296473 BCUNBFIAIJBZGE-CHWSQXEVSA-N 297.826 3.574 30 20 CHED N#Cc1cccc(Cl)c1N1CCOc2ccccc2C1 610273717 WMALDAXOHUCDHA-UHFFFAOYSA-N 284.746 3.611 30 20 CHED N#C[C@H]1CC[C@H](NCC2(Sc3ccccc3)CC2)C1 442772549 AZYNSWKOAKQADG-KBPBESRZSA-N 272.417 3.593 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCCc3cc(N)ccc32)n1 262295891 NUTVHMHNWCZATK-QGZVFWFLSA-N 292.386 3.642 30 20 CHED C=CCC[C@H](N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 358325415 DBBHDZMYTCPXDC-SNRMKQJTSA-N 284.447 3.766 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(Cl)ccn1 264108141 BLDCBFJQJNUHFA-UHFFFAOYSA-N 293.798 3.527 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccccc1)C1CCCC1 533064585 MSVBRBNSJAKQSA-QZTJIDSGSA-N 273.420 3.835 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(CCC#N)CC(F)(F)F 531374940 AHNNSOIHGVFWPH-RYUDHWBXSA-N 290.329 3.507 30 20 CHED C=C[C@@H](C)NC(=O)N(Cc1ccco1)Cc1cccs1 362381059 VAJATKTXNAJJJV-GFCCVEGCSA-N 290.388 3.627 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)oc1C)c1cc(C)ccc1C 530098396 UTVJDHYWKPPWPI-KRWDZBQOSA-N 296.370 3.958 30 20 CHED C[C@]1(C#N)CCCN(Cc2ncc(Cl)cc2Cl)C1 612166586 VWRNEAQXCARXAA-CYBMUJFWSA-N 284.190 3.514 30 20 CHED C=CCC1(NC(=O)c2cc3ccccc3nc2O)CCCC1 619115062 SVRSFHHMYRBGHW-UHFFFAOYSA-N 296.370 3.559 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 367187361 PCOVCXABPYLDPQ-MCPWVCTESA-N 290.357 3.883 30 20 CHED N#CCCCC(=O)Nc1ccc(Oc2ccccc2F)nc1 360726918 FJYAHFKJCGOERR-UHFFFAOYSA-N 299.305 3.645 30 20 CHED C=CCC1(C(=O)N[C@H](C)C(C)(F)F)CCCCC1 452881244 XGBPJNCPSNWJFH-LLVKDONJSA-N 259.340 3.673 30 20 CHED CC[C@](C)(C#N)NC(=O)C1CCC(c2ccccc2)CC1 610291461 KHOGLMOWHKVQIC-LEOMRAHMSA-N 284.403 3.769 30 20 CHED C=CCCCCNC(=O)c1cc(F)c(Cl)nc1Cl 274591091 FJNMMWDOIUOULE-UHFFFAOYSA-N 291.153 3.614 30 20 CHED COc1cccc(CC2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 619673777 NJCFPCPSNXHGFC-ROUUACIJSA-N 298.430 3.642 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(Cl)c1F)OCC 270108696 ISXWXRWSYFZTOK-GFCCVEGCSA-N 285.746 3.789 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1ccc(F)cc1Cl 540534829 RPRJXBAGFIDFDD-NSHDSACASA-N 299.773 3.719 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)NCCC(C)(C)C#N 544439655 QNHDSVOAEGMGMK-MRXNPFEDSA-N 276.399 3.922 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCCCCCC2)cc1 279954326 OQYGHDZNBWXQFJ-UHFFFAOYSA-N 284.403 3.894 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(C)cc1Cl 452773686 JIOJPAIETNOFGA-UHFFFAOYSA-N 251.757 3.590 30 20 CHED C=CCSc1ccccc1C(=O)NCCC(=C)C 452719485 TVPZKJIQRSTPES-UHFFFAOYSA-N 261.390 3.661 30 20 CHED C=CCC[C@H](NCc1cc(OC)ccn1)c1ccccc1 273019057 BRKSYEUITQADPH-SFHVURJKSA-N 282.387 3.887 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H]3CCC[C@@H](C3)C2)c1 455956459 OWAKKTMEDUDTEP-KBPBESRZSA-N 283.375 3.521 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)c2ccc(C#N)cc2)CC1 278699587 KYXBWHFKICYQQO-LJQANCHMSA-N 297.446 3.639 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(C)c(Br)cn1 628253988 HGYRUPYTNXFYLB-ZDUSSCGKSA-N 295.224 3.693 30 20 CHED Cc1nc(C)c([C@H](C)NC2(c3cccc(C#N)c3)CC2)s1 272299131 QYYNVVYCGDOMTK-LBPRGKRZSA-N 297.427 3.972 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1coc2ccccc12 620857346 YAUSFHOCWSZQRI-UHFFFAOYSA-N 271.360 3.836 30 20 CHED Cc1nccn1CCS[C@H](C)c1cccc(C#N)c1 276201466 NPWXFSCZZQNUCS-GFCCVEGCSA-N 271.389 3.558 30 20 CHED C=CCCN(C)C(=O)NCc1cc2ccccc2s1 276078887 KXGBUTGOINWETP-UHFFFAOYSA-N 274.389 3.619 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)c1cccc(C)c1C 460934424 SFZXNSAWMBNOHO-UHFFFAOYSA-N 270.380 3.547 30 20 CHED CC/C=C/CCN(Cc1ccc(C#N)cc1)C1CC1 466836745 HMXRNSPLTXZLCH-ONEGZZNKSA-N 254.377 3.879 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](Oc2ccc(F)cc2)C1 376614802 JVEVNJWBJMVTHD-INIZCTEOSA-N 290.382 3.609 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)c1ccc(Cl)s1 276368890 KBABQMXECPKPJV-VIFPVBQESA-N 257.786 3.540 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCCCCC#N 375851100 KQKHTXZGSMQLOS-RCCFBDPRSA-N 286.419 3.621 30 20 CHED C[C@H](NC[C@@H](C)C(F)(F)F)c1ccc(C#N)cc1F 548158481 JENCUXGGHHGLRN-BDAKNGLRSA-N 274.261 3.546 30 20 CHED C=CCN1CCC(N[C@@H](C)Cc2cccc(Cl)c2)CC1 282626280 JXPXFLMXMQGITN-AWEZNQCLSA-N 292.854 3.511 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@@H]1CC 466379014 URTFLTYVWQTILA-SOUVJXGZSA-N 266.429 3.951 30 20 CHED C=CCOCCN1Cc2ccccc2[C@H](c2ccccc2)C1 555301001 REKQHSYRTFIQIN-FQEVSTJZSA-N 293.410 3.837 30 20 CHED C=CC[C@H](CC)NCc1ccc(OCC)c(OCC)c1 466386811 SHVNIPMGAWMPPE-HNNXBMFYSA-N 277.408 3.928 30 20 CHED C=CC[C@@H](C)NCc1cc(Cl)cc(Cl)c1N 638611040 SGZBVZYOCRRMLD-MRVPVSSYSA-N 259.180 3.630 30 20 CHED Cc1cncc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 375541185 MOTDHHOPVLCWDF-RTBURBONSA-N 291.398 3.662 30 20 CHED CC1(C)CCCN(C(=O)Cc2coc3ccccc23)[C@@H]1C#N 552195185 CMJUHPNIQGHVGY-MRXNPFEDSA-N 296.370 3.516 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 464648219 MPJUARYJQJDKMS-ZDUSSCGKSA-N 294.329 3.996 30 20 CHED Cc1ccc(CCCCC(=O)N[C@@H](C#N)C(C)(C)C)cc1 464712339 PKFTZGXZLZFHGB-INIZCTEOSA-N 286.419 3.762 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCSc1cccc(Cl)c1 289839016 DPENHIIVFZIJFJ-NSHDSACASA-N 296.823 3.583 30 20 CHED CC(C)O[C@@H]1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1(C)C 558508149 BZCSAHMUTNLVIA-FGTMMUONSA-N 298.430 3.727 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 557430576 BNVOJZTXCOVUTG-MOPGFXCFSA-N 298.430 3.897 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCC(C)(C)C1 474658821 JDBUQQNZIITWRQ-UONOGXRCSA-N 266.429 3.951 30 20 CHED C=CCn1c(N(C)[C@H](C)c2ccco2)nnc1C(C)(C)C 290052090 BCNHTLARWIJCBZ-GFCCVEGCSA-N 288.395 3.552 30 20 CHED C=CC[C@@H](C)NCc1c(F)ccc(C2OCCO2)c1Cl 291160019 LZYUZELVWRIPER-SNVBAGLBSA-N 299.773 3.579 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)N1CCC[C@H](CC)C1 473537795 CSRWOBZXVBQNIE-MAUKXSAKSA-N 294.483 3.606 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ncoc2C2CC2)cc1 293912639 DEJBPOTXFDYIBJ-UHFFFAOYSA-N 295.342 3.605 30 20 CHED C[C@H](N[C@@H]1CSC1(C)C)c1ccc(C#N)cc1Cl 555229150 RFHIJBHTJFOQOP-TVQRCGJNSA-N 280.824 3.756 30 20 CHED C#C[C@@H](N[C@@H](C)CCc1ccc(F)cc1F)C(C)C 809685275 LDAOPEFFFRIJIE-BLLLJJGKSA-N 265.347 3.533 30 20 CHED C#Cc1ccc(CN[C@@H](C(C)C)[C@H](O)c2ccccc2)cc1 809657161 WIWHLHQFDXAVAW-VQTJNVASSA-N 293.410 3.516 30 20 CHED CCCCC[C@@H](NCCO[C@@H](C)C#N)c1ccccc1 801937855 XKNVBMVUIMEILA-DOTOQJQBSA-N 274.408 3.826 30 20 CHED Clc1csc(C=NNc2nccnc2C2CCC2)c1 807990874 DJWJGCZZAOCWHS-UHFFFAOYSA-N 292.795 3.905 30 20 CHED Cc1nsc(Nc2cc(Cl)c(N)c(Cl)c2)c1C#N 807917828 POMMPGGEBSBGCO-UHFFFAOYSA-N 299.186 3.956 30 20 CHED C=CCCCCNC(=O)c1nc(-c2ccccc2)oc1C 471668045 OPEQAEHANYWCMI-UHFFFAOYSA-N 284.359 3.736 30 20 CHED N#Cc1ccc(CC(=O)OCCc2ccccc2Cl)cc1 805434545 RMOJNENLEGLFDG-UHFFFAOYSA-N 299.757 3.540 30 20 CHED N#CCc1ccc(Cn2ccc3c([N+](=O)[O-])cccc32)cc1 399123251 ITFVMHNEKZJGEB-UHFFFAOYSA-N 291.310 3.664 30 20 CHED N#Cc1ccc(SCC[C@H](O)c2ccccc2)cc1 806582628 UFFRFKOPONQFRX-INIZCTEOSA-N 269.369 3.774 30 20 CHED C#CCO[C@@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C 294652210 VUKIMJGRCWYACR-AWEZNQCLSA-N 287.403 3.910 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1cn(C)c(C)n1 800809831 HIADZEKYRFUJBX-UHFFFAOYSA-N 297.189 3.871 30 20 CHED C=CCCCCCCN[C@H]1CCCc2nn(C)cc21 806167645 CVIFEVSRGUJIRY-HNNXBMFYSA-N 261.413 3.524 30 20 CHED Cc1ccnc([C@@H](C)Nc2ccc(CC#N)cc2)c1 290527698 XYQJCGGQRVSFHB-CYBMUJFWSA-N 251.333 3.629 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 292116649 BIHAYCABZOUQKS-UHFFFAOYSA-N 286.375 3.576 30 20 CHED N#CCCC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 563069866 ZOYBRLGHAOGURN-QGZVFWFLSA-N 272.367 3.829 30 20 CHED C=C(C)CN(C)c1nnc(-c2cccc(F)c2)cc1C 477023631 TXYFVTPXQSRYQS-UHFFFAOYSA-N 271.339 3.603 30 20 CHED C[C@@H]1COCC[C@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 568427590 DOHIPEWTEJWBCS-MNOVXSKESA-N 298.308 3.662 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1C 568612626 BNAMEQDWHHAXGZ-UHFFFAOYSA-N 293.370 3.859 30 20 CHED C#CCCCCNC(=O)c1cc(Cl)c(F)cc1Cl 815786760 KQXJJHNJGDJNLM-UHFFFAOYSA-N 288.149 3.666 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CC=CCC1 486187949 FJCDJSHHHAXYMN-ZDUSSCGKSA-N 273.401 3.803 30 20 CHED N#CC1(CNC(=O)Nc2cc(C(F)F)ccc2Cl)CC1 568428828 STVWLODLYQFYLJ-UHFFFAOYSA-N 299.708 3.703 30 20 CHED C=CCC[C@@H](C(=O)Nc1cc(CC)n(C)n1)c1ccccc1 817498197 KHOPCEGVOLEFCN-MRXNPFEDSA-N 297.402 3.671 30 20 CHED COc1cc(C#N)cc(OCC[C@@H]2CC2(Cl)Cl)c1 818083680 WKXBKKIZQNBEEL-SNVBAGLBSA-N 286.158 3.530 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C 483978383 NVSSJSCMLCHZRE-IOASZLSFSA-N 264.413 3.647 30 20 CHED CC#CCCNC(=O)N1CC(C)(C)c2c(Cl)cccc21 483409347 BBXQPVOPBMDCBJ-UHFFFAOYSA-N 290.794 3.561 30 20 CHED C#CCOc1ccccc1OC(=O)c1ccn(C(C)C)c1C 815943049 BLATVRHQCZJXRJ-UHFFFAOYSA-N 297.354 3.609 30 20 CHED Cc1ccc(-c2nc(C=NOC3CCC3)co2)cc1 812236676 RPAZJASMMXCSHT-UHFFFAOYSA-N 256.305 3.553 30 20 CHED CCCC(=NNc1ccc([N+](=O)[O-])cc1C)c1cccnc1 814931008 CAEQXOQOKKHRKE-UHFFFAOYSA-N 298.346 3.915 30 20 CHED C=CCCC(C)(C)NCc1ccc(OC)c(OC)c1OC 657805932 XPZDFKSUVDFBBF-UHFFFAOYSA-N 293.407 3.547 30 20 CHED C=CCOc1ccccc1C(=O)Nc1nc(CC)cs1 572107134 RDZNKBJRPFHTMA-UHFFFAOYSA-N 288.372 3.523 30 20 CHED C=CCCCCCCCNC(=O)c1cccnc1C 811589708 CSCPQTIVPOYWMO-UHFFFAOYSA-N 260.381 3.646 30 20 CHED C=CCCOC(=O)CCCc1ccc(Cl)cc1 729072731 WQGIMBWUBRUWDL-UHFFFAOYSA-N 252.741 3.782 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1ccc(C)cc1 727258858 VEHAKVKLGLXSKE-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CC#CCCNC[C@H](C)c1ccc(C(F)(F)F)cc1 577661407 JDUGAILSORIFEY-LBPRGKRZSA-N 269.310 3.812 30 20 CHED C=CCC(C)(C)CNC(=O)/C=C\c1cccc(F)c1 814421147 FVJNKCDJHQYTIZ-HJWRWDBZSA-N 261.340 3.557 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1Cc1ccc(C#N)cn1 570981620 SFACHZPVBDATCL-ZRGWGRIASA-N 291.398 3.720 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1coc2ccccc12 571590333 SHPCJODXCGSOAV-ZDUSSCGKSA-N 286.375 3.977 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1sc(C)nc1C 726737063 GOIPNCSBOZYAKY-UHFFFAOYSA-N 281.331 3.874 30 20 CHED C=CCCNC(=O)N[C@H](CCC)c1ccc(F)cc1F 660891498 GSOWMTNNJMHYJG-CQSZACIVSA-N 282.334 3.681 30 20 CHED CCC(=NNC1CCCC1)c1ccc(OC(F)F)cc1 727652227 KXPBCJOYVSICNA-UHFFFAOYSA-N 282.334 3.934 30 20 CHED C=CCCCCCN(C)Cc1ccc(C(=O)O)c(F)c1 825671613 XHADWCNBHCFIOO-UHFFFAOYSA-N 279.355 3.702 30 20 CHED C=CCC1(NCc2cc(-c3ccco3)on2)CCCC1 661851290 PLSFVPAOTJYVAW-UHFFFAOYSA-N 272.348 3.913 30 20 CHED C=C(Cl)CN(C)c1cccc(OC(F)(F)F)c1 728686772 XOEHXXDHNQNWDR-UHFFFAOYSA-N 265.662 3.774 30 20 CHED C=CCCNC(=O)N(C)Cc1ccc(C(C)C)cc1 661572736 YPYAKFCMRYBPKV-UHFFFAOYSA-N 260.381 3.528 30 20 CHED C=C(Cl)C[C@H](NC[C@H](CCC)c1ccccc1)C(=O)O 904025973 MILMEWAYRUDEGQ-GJZGRUSLSA-N 295.810 3.756 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2cccc(F)c2Cl)C1 588343280 RNVPPWSJBRHMQR-CQSZACIVSA-N 295.745 3.637 30 20 CHED C[C@H]1c2c(F)cccc2CCN1C(=O)CCCCCC#N 588653220 JVRICSAVGVTTLH-ZDUSSCGKSA-N 288.366 3.745 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2ccc(F)cc2Cl)n1 587981408 GMYXALRNJKSVMW-SECBINFHSA-N 290.729 3.622 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccccc1C#N 588618470 UOVLABDWITZHAJ-SREVYHEPSA-N 253.326 3.824 30 20 CHED Cc1noc(-c2ccccc2)c1NC(=O)C#CC(C)(C)C 837528890 KLOFIKHKJDKRFZ-UHFFFAOYSA-N 282.343 3.638 30 20 CHED C=CCCNC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 661565624 QWGAIJBXHKLTMR-OAHLLOKOSA-N 272.392 3.745 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)O[C@@H](C#N)C1CCCCC1 837778626 VJBJLIQOKFOGPN-KRWDZBQOSA-N 298.386 3.897 30 20 CHED Cc1cn(C[C@@H](OC(C)C)c2ccccc2)cc1C#N 580928896 VISAPYJUNYRXMV-QGZVFWFLSA-N 268.360 3.835 30 20 CHED C[C@H](Cc1cccs1)N[C@@H]1CCc2ccc(C#N)cc21 581183528 FHCABIDUOPHWQB-SJKOYZFVSA-N 282.412 3.828 30 20 CHED C=CCN(C(=O)c1ccc(C)c2cccnc12)C(C)(C)C 906034715 RGGPBOMMVAXWIC-UHFFFAOYSA-N 282.387 3.970 30 20 CHED COCCCC(C)=NNc1ccc(C(F)(F)F)cc1 746577738 YMAMZSSWMBCESL-UHFFFAOYSA-N 274.286 3.920 30 20 CHED CCCCCCCCNC(=O)c1conc1C(F)(F)F 831164481 KMHFACXODOHKMU-UHFFFAOYSA-N 292.301 3.784 30 20 CHED C=CCN(C(=O)Nc1nc2ccsc2s1)C(C)C 735576627 JKFICJRSFKQEEJ-UHFFFAOYSA-N 281.406 3.786 30 20 CHED C=C(CNCc1c(O)cccc1Cl)c1ccccc1 733325426 HQUMKKPHQJTPDL-UHFFFAOYSA-N 273.763 3.849 30 20 CHED C=CCCOCC(=O)N1CCC[C@H]1CCC1CCCC1 676064702 YQZNZNYVZHCDGE-INIZCTEOSA-N 279.424 3.541 30 20 CHED Cc1ccc(C=NN=c2cc[nH]c3ccccc23)c(C)c1 730147990 MAUFQJUGCHAIPW-UHFFFAOYSA-N 275.355 3.720 30 20 CHED C=CCN(Cc1cnc(-c2ccccc2)nc1)C(C)C 917168571 WJMAAPLSAACXIS-UHFFFAOYSA-N 267.376 3.540 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](CC1CCC1)c1ccccc1 593587451 GHUJQUZMPAGHSH-GDBMZVCRSA-N 270.376 3.584 30 20 CHED C[C@H](C#N)N(C(=O)c1cc2ccc(F)cc2s1)C1CC1 598126074 AZOUDINRLAZQFK-SECBINFHSA-N 288.347 3.557 30 20 CHED C=CCCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 596732737 NMILHSQCZDEGQV-LBPRGKRZSA-N 289.404 3.778 30 20 CHED CC(=NNCc1ccccc1)c1ccc(OC(F)F)cc1 916344363 SQXLSZNCASVKIW-UHFFFAOYSA-N 290.313 3.802 30 20 CHED CC(CCC(C)C)=NNC(=S)NC1CCCCC1 915928191 UXCBRMLTWSKNBW-UHFFFAOYSA-N 269.458 3.595 30 20 CHED CC(C)(C#N)CCCCN1CCOc2cc(F)ccc2C1 599685941 AYRWMMPOLNXLLM-UHFFFAOYSA-N 290.382 3.740 30 20 CHED CC1(C)C[C@@H](O)c2cc(-c3ccc(O)c(C#N)c3)ccc2O1 846782521 QRSAUPQZYKDHMC-MRXNPFEDSA-N 295.338 3.525 30 20 CHED CC[C@H](CC(C)C)C(=O)Oc1cccc(OCC#N)c1 841344828 ZHNWDTYTNJVHOC-CYBMUJFWSA-N 275.348 3.567 30 20 CHED C[C@H]1CN(c2snc(Cl)c2C#N)Cc2ccccc21 916993993 PUFXBRPMQQUDTN-VIFPVBQESA-N 289.791 3.792 30 20 CHED C=CCCCCCOC(=O)c1coc(-c2cccnc2)n1 849852407 LGLCDTNKFSTMFO-UHFFFAOYSA-N 286.331 3.640 30 20 CHED C#CCCCNC(=O)N(CCC(C)C)CCC(C)C 745899553 ANYHGIOLCAAHQY-UHFFFAOYSA-N 266.429 3.504 30 20 CHED C=C(C)CCOC(=O)C[C@@H](C)c1cccc(F)c1 744304782 CVWBVKPEUXQWBO-GFCCVEGCSA-N 250.313 3.829 30 20 CHED Cc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)cc1 747062300 WNRQMNIEWUJEAH-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 593982754 NQEADPPXHLHAOB-MRXNPFEDSA-N 298.430 3.942 30 20 CHED C=C(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 672480115 VLFMWWACBJUCLZ-ZWKOTPCHSA-N 295.357 3.759 30 20 CHED CC(C)[C@H](CN=C(N(C)C)N(C)C)c1ccc(Cl)cc1 849051025 SGMHQVJDJAFWQU-HNNXBMFYSA-N 295.858 3.559 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCCC[C@H]1C 747061904 PPOVHQOYCXXVDG-SNVBAGLBSA-N 261.325 3.881 30 20 CHED CCCCCCCC(=O)OCC(=O)C1CCCC1 744768807 MJRZAMBLSWQUCL-UHFFFAOYSA-N 254.370 3.649 30 20 CHED C[C@]1(C(=O)OCc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 840596486 ONDGUJXYWANGTR-MJGOQNOKSA-N 291.350 3.795 30 20 CHED C=C[C@@H](C)ONC(=O)N(CC)C[C@H](CC)c1ccccc1 845623293 HFZMMAAIVIGIOE-CABCVRRESA-N 290.407 3.718 30 20 CHED COc1ccc(OCCCSCC2(CC#N)CC2)cc1 596325829 UVRLOHMGHOUBLJ-UHFFFAOYSA-N 291.416 3.891 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 679526872 XROGIRYXLMXQKV-AAEUAGOBSA-N 289.341 3.944 30 20 CHED C/C(=C/C(=O)NC1(c2cccc(C#N)c2)CC1)C(C)(C)C 749016059 RJTBABILNUWPAC-RAXLEYEMSA-N 282.387 3.656 30 20 CHED C=C(C)CCOC(=O)c1cc(F)cc(Br)c1 744304589 ZLKIPIHDKHOBTG-UHFFFAOYSA-N 287.128 3.711 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H](CCc2ccccc2)C(F)F)C1 599072050 XBNHMDUDNKWNPG-OAGGEKHMSA-N 292.373 3.925 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 744358584 UNVRQJFGADAMCY-AWEZNQCLSA-N 269.344 3.911 30 20 CHED C#C[C@H](OC(=O)CO[C@@H](C)CC)c1ccc(Cl)cc1F 842353878 RJZOUWYBHANESI-HZMBPMFUSA-N 298.741 3.512 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCC(C)(C)c1ccccc1 594084127 ARSKUWXHXSDYOV-HNNXBMFYSA-N 272.392 3.505 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CC12CCCC2)c1ccc2ccccc2n1 747478680 FXSUUKGPSJAJEI-CABCVRRESA-N 290.366 3.991 30 20 CHED CC/C(=C/C(=O)Nc1ccc(C#N)cn1)c1ccc(C)cc1 741558551 JEPBMRKUMVDHBF-GDNBJRDFSA-N 291.354 3.694 30 20 CHED C=C[C@](C)(CCOC)COC(=O)C(C)(C)CCC 845526668 YSUCTJUDWZTVOM-OAHLLOKOSA-N 256.386 3.585 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)CC2(C#N)CCCCC2)C1 597493532 DXGAVQPEWGVQAA-AWEZNQCLSA-N 276.424 3.745 30 20 CHED COc1cc(C)nc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)n1 747634315 DDZHCDMYYGCPSL-QWHCGFSZSA-N 288.395 3.552 30 20 CHED C=C[C@H]1CCCCN1c1ccc(OC(F)(F)F)cn1 683935808 DTWZPSZMWXEXRE-JTQLQIEISA-N 272.270 3.525 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1cccc(O)c1 746683341 IZAAGCWXNYEKAV-AGGGZFENSA-N 250.297 3.845 30 20 CHED Cc1nsc(N(C)C(=O)CCC2CCCCC2)c1C#N 748240913 VPUCXPMIBMQDTC-UHFFFAOYSA-N 291.420 3.647 30 20 CHED C[C@@H](C#N)N(C(=O)c1cc(Cl)sc1Cl)C1CC1 598128005 WZUNDQKNPXHLOH-LURJTMIESA-N 289.187 3.572 30 20 CHED CCN(Cc1nc(C2CCCCC2)cs1)[C@H](C)C#N 595821680 ZAIUTVIXBRLCCS-GFCCVEGCSA-N 277.437 3.925 30 20 CHED CC[C@@H](Cc1cccs1)NCc1ccc(C#N)c(F)c1 590663106 DTEOBVPPZRNWDW-AWEZNQCLSA-N 288.391 3.870 30 20 CHED C#CC[C@@H](OC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccccn1 842710276 LSOANFZDSLYSIB-SQWLQELKSA-N 285.387 3.762 30 20 CHED N#Cc1cccc(C2(NC(=O)/C=C\C3CCCCC3)CC2)c1 749016013 QTAMXWXPQDAIDD-KTKRTIGZSA-N 294.398 3.800 30 20 CHED COCc1cccc(/C=C2/COc3ccc(F)cc3C2=O)c1 742434608 LMNJYMRFDWKUCG-ZSOIEALJSA-N 298.313 3.631 30 20 CHED CCOc1ccc(C=Nc2ccc(CC#N)cc2)c(O)c1 743333891 DDHFBTOKWAGGTE-UHFFFAOYSA-N 280.327 3.608 30 20 CHED Cc1ccc(S(=O)(=O)CCC2(C#N)CCCCC2)s1 840848971 XIYJZINDARCATL-UHFFFAOYSA-N 297.445 3.694 30 20 CHED C[C@@H](C/N=C/c1ccccc1O)Sc1ccccc1 743044897 TUHMVFUFEWDCHX-VLURKWGBSA-N 271.385 3.992 30 20 CHED C=C(Br)CN(CCOC)[C@H](C)c1ccccc1 746656861 AQENHGNROAKKKP-CYBMUJFWSA-N 298.224 3.605 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C)CC(C)(C)C 684783185 UQFYVPKOLRFVAW-LZWOXQAQSA-N 281.440 3.546 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)Cc1cccc(F)c1 851209796 KALJFOGWTHAXSU-STQMWFEESA-N 291.366 3.876 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H](C)CC(C)(C)C#N 925680967 LROJNJHDPRCJOK-XEZPLFJOSA-N 292.398 3.820 30 20 CHED C=C(C)COC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 758842156 IRIPFFDHIVYDJT-UHFFFAOYSA-N 280.192 3.717 30 20 CHED C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C#N)C1 928219837 CSJLVJVQEDLSKH-FWLQQBITSA-N 288.778 3.505 30 20 CHED C=C[C@H](OC(=O)CCCCCC#N)c1ccccc1 851451018 AQZBBLUBKRZQNK-HNNXBMFYSA-N 257.333 3.931 30 20 CHED C=CCC1(C(=O)N(Cc2ccccn2)CC(C)C)CCC1 928736112 DJYMBLDDSQKWDL-UHFFFAOYSA-N 286.419 3.813 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(C3CC3)cc2)C1 851083776 MIFSASQRPOZSAN-LRDDRELGSA-N 269.344 3.803 30 20 CHED CC1(c2ccccc2)CC(=NO[C@H]2CCCCO2)C1 755821213 QELQTZOMCFGVQY-VYRBHSGPSA-N 259.349 3.637 30 20 CHED CCC(CC)NN=Cc1cc(F)ccc1OC(F)F 853308493 LDNUUJIOBCMIES-UHFFFAOYSA-N 274.286 3.539 30 20 CHED CC(C)c1cccc(/C=C2/CCn3nccc3C2=O)c1 853009535 LDDPJMKSHSRAHB-PTNGSMBKSA-N 266.344 3.677 30 20 CHED CC[C@@H](c1ccccc1)N(CCOCCC#N)C(C)C 852690368 AZWVVHUZGWMGSK-KRWDZBQOSA-N 274.408 3.778 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)C3CCCC3)[nH]c12 750712563 LICYXNGJPSJQRG-GXTWGEPZSA-N 295.386 3.874 30 20 CHED FC(F)C1CCC(=NNc2ccc(Cl)cn2)CC1 853437777 UARNGIZQLNLIJB-UHFFFAOYSA-N 273.714 3.958 30 20 CHED Cc1cccc(C=NNCc2cccc(Cl)c2)c1 756828053 VQQMHYGASAYJKB-UHFFFAOYSA-N 258.752 3.772 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 1529721170 YWEFYTJTSKIBLE-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C#CCN(Cc1oc(C)nc1C)[C@@H]1CCCc2ccccc21 933419639 WNKKSDRNAOLMDI-GOSISDBHSA-N 294.398 3.804 30 20 CHED C[C@@H]1CC[C@H](Nc2cc(C#N)c3ccccc3n2)C1 132732969 UFCLIIVYUMULOW-YPMHNXCESA-N 251.333 3.707 30 20 CHED Cc1cc(/C=C2/Oc3ccc(F)cc3C2=O)ccc1C#N 766492900 ZNFGHTSSUSOMPB-FRKPEAEDSA-N 279.270 3.622 30 20 CHED CC(C)CC=Nn1c(S)nnc1-c1ccccc1Cl 863964955 FOSHOGXQORQDEY-UHFFFAOYSA-N 294.811 3.767 30 20 CHED CCC[C@@H](C=NNc1oc(C)nc1C#N)c1ccccc1 769568662 APCMZZNNGFENJR-AWEZNQCLSA-N 282.347 3.836 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1ccccc1C 768381383 GICQBNQCAXTJBA-UHFFFAOYSA-N 284.750 3.751 30 20 CHED C#CCCCCCC(=O)N([C@@H](C)CC)[C@@H](C)CC 767514094 IDLRYVIGHQKQIW-GJZGRUSLSA-N 251.414 3.996 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 934424253 BVFGTFGNOBDMMN-DOTOQJQBSA-N 299.414 3.853 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2ccc(Cl)cc2)ccc1F 769822918 OZXZSZRAVJHGCG-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C#CCN(C(=O)c1cc2ccc(C(C)C)cc2[nH]1)C1CC1 764449862 YPDRSOCKAWSNSG-UHFFFAOYSA-N 280.371 3.529 30 20 CHED C#CCCCN[C@@H]1CCc2c1ccc(Cl)c2Cl 766234521 WPMKIXQTNHQDOT-CYBMUJFWSA-N 268.187 3.984 30 20 CHED Fc1ccc2c(c1)C(=NNc1ccccc1)CCCO2 863950762 LRAIKCIYVDBSNZ-UHFFFAOYSA-N 270.307 3.815 30 20 CHED CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNc1ccccc1 769566045 CBOJKPACNMQIER-LBPRGKRZSA-N 291.395 3.778 30 20 CHED N#C[C@H](C(=O)CCCCCc1cccs1)c1ccncn1 760353773 RNLYZBFOFMDVRW-AWEZNQCLSA-N 299.399 3.517 30 20 CHED C#Cc1cccc(CN[C@@H](c2ccccn2)C(C)C)c1 866369591 MSWYFOCCIXBTFT-GOSISDBHSA-N 264.372 3.550 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(SC(F)F)nc1 860278340 XHZBOVUAYKCGMS-UHFFFAOYSA-N 299.346 3.665 30 20 CHED CCCCCCCNC(=O)Nc1cn(C)nc1C(C)C 861050281 DLLJDJQNLJHDRR-UHFFFAOYSA-N 280.416 3.635 30 20 CHED CCOc1ccc(/C=N\Cc2ccc(C)c(F)c2)c(O)c1 769726827 BCVIUVZPJPXDHW-ODLFYWEKSA-N 287.334 3.858 30 20 CHED CC1(C)CCCC(=NNc2cc(C#N)cc(Cl)n2)C1 768375617 OZFROPIQDGHIQB-UHFFFAOYSA-N 276.771 3.975 30 20 CHED COc1ccc2oc(C=NNc3cc(C)ccn3)cc2c1 763358625 WKPHMCUIWBBWKM-UHFFFAOYSA-N 281.315 3.591 30 20 CHED Cc1ccc(NN=Cc2ccn(-c3ccccc3)n2)cc1 766679709 YDDROUFTFPXSCD-UHFFFAOYSA-N 276.343 3.627 30 20 CHED C[C@H](C=NNc1ncc(Cl)cc1Cl)CCC#N 765994991 MVXIFQYMKJBLIQ-QMMMGPOBSA-N 271.151 3.726 30 20 CHED CCO[C@H]1CC(=NOCC(F)(F)F)C1(CC)CC 764847208 ULUNJBIIIKKLHB-JTQLQIEISA-N 267.291 3.537 30 20 CHED CC(=O)[C@](C#N)(CCN1C[C@@H](C)CC1(C)C)c1ccccc1 878158506 IFTSUDAFYNCRMY-HNAYVOBHSA-N 298.430 3.547 30 20 CHED COc1cc(/C=C2\CCc3ccc(F)cc3C2=O)ccc1O 776191219 CGGYJUYNUSFFCN-MDWZMJQESA-N 298.313 3.752 30 20 CHED C=C(Cl)CNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1116099142 NPLBBVWJCUWNFO-UHFFFAOYSA-N 291.822 3.884 30 20 CHED C[C@H](C#N)CNN=C1CCCCc2ccc(Cl)cc21 771102085 DBQBFNHPOPSCIE-LLVKDONJSA-N 275.783 3.520 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nnc(C3CCCC3)o2)c1 1118370918 NYCKCUWWNDWNPD-LSDHHAIUSA-N 279.343 3.870 30 20 CHED Cc1cccc(F)c1CN[C@@H](C)c1ccc(OCC#N)cc1 776163705 QRFMLKGAERBHIB-AWEZNQCLSA-N 298.361 3.887 30 20 CHED CC(C)(C)Cc1nnc(C2(c3cccc(C#N)c3)CC2)o1 1117241638 DPOSAUKGUCJRGC-UHFFFAOYSA-N 281.359 3.610 30 20 CHED C=C(Cl)CN[C@H]1CC2(CCC2)Oc2ccccc21 773005853 USYMPFZPWBPOOJ-ZDUSSCGKSA-N 263.768 3.775 30 20 CHED CC[C@@H](CC(=O)OCc1cccc(C#N)c1F)C(C)C 774946112 LAUJYFIJQQWLBL-LBPRGKRZSA-N 277.339 3.813 30 20 CHED Cc1cc(C=NOC2CCCC2)c(C)n1C[C@@H]1CCCO1 774607097 CNKWBNFNZPFFAO-KRWDZBQOSA-N 290.407 3.577 30 20 CHED CCC(CC)[C@@H]1C[C@H](/N=C/c2cccc(O)c2O)CCO1 777873849 VCTUJFCNAUSHMJ-KIHCMGJVSA-N 291.391 3.501 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cncc(Br)c1C 888902115 HUCUSWCSJJZYBX-SNVBAGLBSA-N 297.196 3.693 30 20 CHED C=CCN(C(=O)NCC1CCCCCCC1)C1CC1 772445679 LJHKSRXEGYOGJH-UHFFFAOYSA-N 264.413 3.707 30 20 CHED CCSCCON=Cc1ccccc1Br 778018575 DFZXZQCEYSDSEP-UHFFFAOYSA-N 288.210 3.553 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])C1CCSCC1 777418384 KGAVJILOKRTODF-UHFFFAOYSA-N 279.365 3.526 30 20 CHED C=C(CC)CN[C@@H](c1ccccc1)C1CCOCC1 775437032 FUWCDZBCIUJTFD-KRWDZBQOSA-N 259.393 3.710 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cnccc1C)c1ccncc1 772456603 SCCYQGNGTVXQNL-WMLDXEAASA-N 267.376 3.753 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1c(Br)cccc1C#N 1559228570 JGCUJXLJAGGQLL-KWQFWETISA-N 297.221 3.627 30 20 CHED Cc1ccc2c(CC(=O)OCCC(C)(C)C#N)coc2c1 776363874 YEGFWEZLKYHVGX-UHFFFAOYSA-N 285.343 3.767 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)OCCC(C)(C)C#N)C1 776383722 XRANOEOVFZAUPI-CHWSQXEVSA-N 251.370 3.686 30 20 CHED CCC(=NNc1ccccc1F)c1ccc(C#N)cc1 773033448 GSFKROHHJKWPJC-UHFFFAOYSA-N 267.307 3.924 30 20 CHED CSc1ccccc1CC(C)=NNc1ccc(C)nn1 782903978 RPRZFEDOGFYRNT-UHFFFAOYSA-N 286.404 3.537 30 20 CHED CC1(C)CC(=NNc2ccnc(F)c2)c2ccccc2O1 781127607 OUZOSSJWSBGELP-UHFFFAOYSA-N 285.322 3.598 30 20 CHED CN(Cc1cscc1Br)[C@@H]1CC[C@H](C#N)C1 880360297 TWSCQOOOGDXKJA-GXSJLCMTSA-N 299.237 3.635 30 20 CHED C=C(Br)CN1C[C@@H](C(F)(F)F)CC[C@H]1C 780385128 MCQLKYBPISNSIO-BDAKNGLRSA-N 286.135 3.558 30 20 CHED C=C[C@@H](C(=O)N[C@@H](C)c1ncc(C)s1)c1ccccc1 1123657372 RASAUGNUHNOPOI-GXTWGEPZSA-N 286.400 3.599 30 20 CHED CCCC[C@H](CC)C(=O)NOCCCC(C)(C)C#N 788056536 WMXWDPNQGIWUEO-ZDUSSCGKSA-N 268.401 3.581 30 20 CHED O=C(/C=C\c1cc2cc(F)ccc2o1)c1cncs1 787171512 AIPMLPLLPHGZHU-IHWYPQMZSA-N 273.288 3.925 30 20 CHED C#CCCCCCC(=O)NCc1nc(C(C)(C)C)cs1 780481130 XQOFZOUWVPZTEW-UHFFFAOYSA-N 292.448 3.641 30 20 CHED CC1(C)C(=NNc2ccc(F)cn2)C[C@@H]1Oc1ccccc1 789017958 MONGMLVUELIPFT-HNNXBMFYSA-N 299.349 3.866 30 20 CHED Cc1cc(C)cc(CC(=O)OCc2cc(C#N)ccc2F)c1 1126765855 SEIJMYQSISDHPT-UHFFFAOYSA-N 297.329 3.600 30 20 CHED C=CCCN(Cc1cncc(C)c1)OCc1ccccc1 785485718 GBVWVZRVELJPFR-UHFFFAOYSA-N 282.387 3.900 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc2cccc(C)c2o1 787091659 GILJJGPMRDDKHX-GFCCVEGCSA-N 257.289 3.590 30 20 CHED CCC(=NNc1ccc(OC)cn1)c1ccc(C)cc1 780266812 CJAPDDZXBYTWET-UHFFFAOYSA-N 269.348 3.625 30 20 CHED Cc1cc(C#N)ccc1N[C@@H](CCCO)c1ccccc1 892654336 JJKFEGCGYAFRRK-SFHVURJKSA-N 280.371 3.792 30 20 CHED O=C1/C(=C\c2cscc2Cl)Cc2cc(O)ccc21 780188648 PGEGVLMZSNVSMG-WTKPLQERSA-N 276.744 3.930 30 20 CHED Cc1cc(C(=O)OCCCC(C)(C)C#N)ccc1F 783474586 VMWKZICWPMHPAB-UHFFFAOYSA-N 263.312 3.621 30 20 CHED N#Cc1cccc(NC(=O)c2cc(O)c3ccsc3c2)c1 788271902 YWBVJFRDJADDQO-UHFFFAOYSA-N 294.335 3.731 30 20 CHED C=C(Cl)CN[C@@H](CC)c1cc(Cl)ccc1O 390745942 ABFOZIZOKNDNAA-NSHDSACASA-N 260.164 3.839 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 393763928 OMDCIVBZNASUNA-CABCVRRESA-N 296.455 3.720 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1cc(C#N)ccc1F 891453751 HZUOIHGOAVYBKP-CQSZACIVSA-N 266.291 3.554 30 20 CHED N#Cc1ccc(Cl)cc1NCc1ccc(Cl)nc1 301288775 SDIMUHWJSKQJMQ-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=C1CN(C(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)C1 898699866 UDVUJZKVHKLPJG-ZBFHGGJFSA-N 279.424 3.541 30 20 CHED CC(C)C[C@H](C)C=NNc1ncnc2ccsc12 799112599 XEVLAYCTKQGMST-JTQLQIEISA-N 262.382 3.771 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C\c1ccc2ccccc2n1 798551382 RQRMDBRZKZBLSS-LLNWESEBSA-N 280.371 3.719 30 20 CHED C#CCC1(C(=O)OCCCCCF)CCCCC1 792170089 OIRWQLXOKXNQST-UHFFFAOYSA-N 254.345 3.643 30 20 CHED CCC[C@@H](CCc1ccccc1)NC(=O)c1ccc(C#N)o1 794355886 VZESLDDSARSWOQ-HNNXBMFYSA-N 296.370 3.683 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]1c1ccccn1 572347228 WZRIBGCNDVFIPQ-MRXNPFEDSA-N 271.408 3.939 30 20 CHED N#Cc1cc(NCc2cnc(C3CC3)s2)ccc1F 582702987 BGOMIWUEMARCAT-UHFFFAOYSA-N 273.336 3.643 30 20 CHED C#CCN(Cc1cc(Cl)ccc1OC(F)F)C1CC1 763950209 LWTCBVNZWHXCLY-UHFFFAOYSA-N 285.721 3.539 30 20 CHED C[C@@H]1CCC[C@H](CNCc2cccc(OCC#N)c2)C1 92565556 GPMKPMDMCXKWNX-CABCVRRESA-N 272.392 3.505 30 20 CHED N#Cc1csc(CNCc2ccc(C(F)(F)F)cc2)c1 93492219 IWHCPUHRZSEEMG-UHFFFAOYSA-N 296.317 3.928 30 20 CHED CCCCc1ccc([C@H](NC[C@H](O)CC#N)C(C)C)cc1 1307594278 RMNGXFXVDKHCNU-QZTJIDSGSA-N 288.435 3.590 30 20 CHED CSCCc1ccc(Nc2cc(C)ncc2C#N)cc1 1306956605 VVKCPSBVUYOYBR-UHFFFAOYSA-N 283.400 3.911 30 20 CHED N#CCCCc1nnc(CSc2ccc(Cl)cc2)o1 1327009505 YYWOBURJLJYJFW-UHFFFAOYSA-N 293.779 3.862 30 20 CHED C=CC(C)(C)C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 1325166310 WNPAHHGNBYDKAX-JTQLQIEISA-N 299.823 3.514 30 20 CHED C#CCN(CC#CC)C(=O)c1ccc(-c2ccccc2)s1 1322072273 RQIQORQSLSVVMC-UHFFFAOYSA-N 293.391 3.514 30 20 CHED C=C(CC)COC(=O)c1cnn(C2CCCCC2)c1 1254123354 ZHBNJGDPHLRSAL-UHFFFAOYSA-N 262.353 3.511 30 20 CHED N#Cc1ccc2c(c1)N(CCCc1ccccc1)CC2 1653166963 MTVJVGSVSSWRPO-UHFFFAOYSA-N 262.356 3.554 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1331720181 PTBLVCRXVKICPK-GXFFZTMASA-N 290.234 3.631 30 20 CHED C[C@H](CCC#N)CN1CCO[C@@H](c2ccc(Cl)s2)C1 1331692986 UTWVYRIAGJLXQD-VXGBXAGGSA-N 298.839 3.715 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C(=O)c1ccc(Cl)s1 1336217157 KHWJAPHLKKXIOH-JTQLQIEISA-N 297.807 3.541 30 20 CHED CC(=NOC(C)(C)C)c1ccc(C(F)(F)F)cn1 1332035104 VBBQUVKJBAZTOG-UHFFFAOYSA-N 260.259 3.640 30 20 CHED CC1(C)CC[C@@H](c2nnc(COc3ccccc3C#N)o2)C1 1333056741 MXOMIMYZZZDNHO-GFCCVEGCSA-N 297.358 3.814 30 20 CHED Cc1coc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1C 1261372681 DEYZMUVXCPXUDS-INIZCTEOSA-N 294.354 3.576 30 20 CHED CCCCCN(c1nnc([C@@H](C)CCC#N)n1C)C(C)C 1262909980 IIKSRRYGZGJQOP-AWEZNQCLSA-N 291.443 3.627 30 20 CHED CCCc1ccc(C(=O)Nc2ccc(C#N)cc2)s1 1348469964 ZXOHXWKJHYTLHW-UHFFFAOYSA-N 270.357 3.825 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1344586995 DFAUOULSBUJHJL-MRVPVSSYSA-N 291.700 3.868 30 20 CHED C=C(C)CCC(=O)N1CCc2cccc(F)c2[C@H]1C 1340096880 OKOITESVCUFLCU-GFCCVEGCSA-N 261.340 3.628 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)CCc1ccc(F)cc1 1349906893 NAZLAQPOCYQZNJ-BBRMVZONSA-N 290.382 3.545 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1436351499 MCCYBMNPPMYIRX-SMDDNHRTSA-N 290.794 3.768 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)c2ncc(C)s2)n1 130581678 NDICXORBCPXTQB-NSHDSACASA-N 272.377 3.508 30 20 CHED C[C@H](C(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1 1350310867 BGFBQTSKIXMZEN-WFASDCNBSA-N 269.300 3.581 30 20 CHED CSCc1ccccc1NC(=O)c1csc(C#N)c1 1528466899 NUKKGWCDPFGUCT-UHFFFAOYSA-N 288.397 3.735 30 20 CHED C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N(CC)CCC 1520497273 OULUBZAFOYXWJB-CYBMUJFWSA-N 294.443 3.577 30 20 CHED CC(C)(CNC(=O)c1cccc(C#N)c1)C1CCCCC1 1526183163 SXRPFXFHJCSWLU-UHFFFAOYSA-N 284.403 3.895 30 20 CHED Cc1oc(CNc2ccc(C3CC3)c(C#N)c2)cc1C(=O)O 1600854281 LARQUOAHMBJOGG-UHFFFAOYSA-N 296.326 3.647 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2coc3ccccc23)c1 1602550193 UCQWLXFCQCUOMR-WAYWQWQTSA-N 282.251 3.620 30 20 CHED CC(C)(C#N)CCCNc1cc(C(=O)O)cc2cccnc12 1603229989 MFHSDCMZIOVEMO-UHFFFAOYSA-N 297.358 3.675 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)OCc1cc(C#N)ccc1F 1532198664 DEPWGGJUICTVEC-DZGCQCFKSA-N 289.350 3.957 30 20 CHED Cc1ccc(CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1Cl 1535479432 RFVKGXLUPLQAKF-ZIAGYGMSSA-N 291.778 3.817 30 20 CHED C=CCN(C[C@H](O)c1cccc(Cl)c1)C(C)(C)C 852554173 FIUZLMWRCHRLDO-AWEZNQCLSA-N 267.800 3.660 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccccc1CC#N 1629156082 VJSIUJQJLXFRPQ-CABCVRRESA-N 284.403 3.699 30 20 CHED C=C(Br)CN1CCC[C@H](C)[C@@H]1CCC 1559615815 KICPIARVIUOMIG-JQWIXIFHSA-N 260.219 3.796 30 20 CHED CCc1ccc(OCc2ccc(C#N)cc2)c(OC)c1 230348589 ORVMNHLPTGZZJT-UHFFFAOYSA-N 267.328 3.708 30 20 CHED N#Cc1nc(Sc2ccccc2O)sc1Cl 1640254709 GJLPQMPGGFDWLF-UHFFFAOYSA-N 268.750 3.525 30 20 CHED COc1ccc2c(c1)C[C@@H](Nc1cccc(C#N)c1C)CC2 1657459004 RXJGNILSZVNSDV-KRWDZBQOSA-N 292.382 3.845 30 20 CHED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ccc(C#N)c(Br)c1 1652245606 CJTCTJFATGXJAV-PKINLEFWSA-N 291.192 3.777 30 20 CHED CC1(C)CCCC[C@H]1Nc1ccc(Cl)c(C#N)n1 1650851182 CPGDBBVQEVBDGD-GFCCVEGCSA-N 263.772 3.987 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 1585134698 JQTIRPUUJTUUEM-DUVNUKRYSA-N 284.403 3.811 30 20 CHED CCC(CC)CN(CC)Cc1cccc(C(=O)O)c1C#N 1595111788 WCCUMICUZFYAOO-UHFFFAOYSA-N 288.391 3.515 30 20 CHED CC(C)(CC=NNc1cc(Cl)ccc1Cl)C(=O)O 1590654044 JGEFRLCOVGQHST-UHFFFAOYSA-N 289.162 3.892 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCCC2(C)C)c1 1672281852 LVTPSFZWWYWELP-HNNXBMFYSA-N 285.391 3.957 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(C(=O)O)s2)c1 1776126933 BKXUPSXHZWCNKR-FNORWQNLSA-N 272.325 3.651 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(C)c(C(=O)O)c1 1776982284 UBHOPUHEKXCKJY-VOTSOKGWSA-N 295.338 3.547 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1ccncc1C 1776787130 UDLVWAHJBPZCDZ-MRXNPFEDSA-N 292.423 3.683 30 20 CHED Cc1cc(C)c(NCC(=O)Nc2ccc(C#N)cc2)c(C)c1 11040516 RWZSSXFHVNQOEL-UHFFFAOYSA-N 293.370 3.534 30 20 CHED CC(C)c1ccccc1NC(=O)CNc1ccc(C#N)cc1 15291182 XFIKOXJGNATFSG-UHFFFAOYSA-N 293.370 3.732 30 20 CHED C=C(Cl)C[S@@](=O)[C@@H](CC)c1ccc(F)cc1F 150833704 VDJONAHUIOPGRP-SJCJKPOMSA-N 278.751 3.917 30 20 CHED N#Cc1ccc(COc2ccc(F)cc2)c(Cl)c1 162968337 ZAOQWMGSRUMRLN-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1ccc(NC(=O)[C@H](C#N)c2nc(C)c(C)s2)cc1C 160137458 DIIJELNFPDVHEF-AWEZNQCLSA-N 299.399 3.623 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 151624819 TVTZMWADAUAWAE-UHFFFAOYSA-N 284.363 3.507 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@H](CC)C1)c1ccccc1 152676924 JPTNNRUQQKWZGE-HOTGVXAUSA-N 271.404 3.995 30 20 CHED C=CCCCCCN(C)C(=O)c1c(F)cc(C#N)cc1F 152701243 GFUDRPWRVVKRMJ-UHFFFAOYSA-N 292.329 3.655 30 20 CHED CCCN(CC#N)C(=O)C[C@@H](CC)c1ccc(C)cc1 152496321 HEICLXBTDLPQDR-OAHLLOKOSA-N 272.392 3.641 30 20 CHED N#Cc1ccc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 157546751 DGSKINHDYFITSG-MOPGFXCFSA-N 292.382 3.568 30 20 CHED N#CCCCC[S@](=O)[C@@H]1CCc2c(Cl)cccc21 154042449 GFJMSQBHMUFPPI-RDTXWAMCSA-N 281.808 3.770 30 20 CHED C=CCNC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 157226382 SFNYNMILRGLETJ-AWEZNQCLSA-N 287.407 3.681 30 20 CHED C=CCC[C@@H](NC(=O)C1=CCCC1)c1ccccc1 154243379 DAKWOARCUYMTHD-MRXNPFEDSA-N 255.361 3.920 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(OC(C)(C)C)cc2)cn1 154752945 WGFAJGLYPSIZPW-IZZDOVSWSA-N 298.386 3.976 30 20 CHED N#Cc1cccc(CNc2ccc(F)cc2Cl)c1 20361132 ZMZXANPVISUIQP-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC(C)N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 14405713 CABPOORXXUTNID-UHFFFAOYSA-N 278.355 3.609 30 20 CHED COc1ccc(C#N)cc1CNc1cc(C)cc(F)c1 129259410 JKPWTLQMMJJHSB-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C#Cc1cccc(NC(=O)c2ccc3ncsc3c2)c1 144339365 LYEHDXDMEUBIIW-UHFFFAOYSA-N 278.336 3.530 30 20 CHED N#Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)cc1 152210656 OCVIIQYCPKHCPW-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1cccc(F)c1 42336081 DOXAEECTHHRCGO-LLVKDONJSA-N 272.298 3.687 30 20 CHED Cc1cc(C#N)ccc1CN1CCC(C(F)(F)F)CC1 165489831 WHEOHXCXUVGHDW-UHFFFAOYSA-N 282.309 3.641 30 20 CHED N#Cc1cccc(NC[C@H]2CCOc3ccccc32)c1 166377523 RGXIBQIBRCHRTH-CQSZACIVSA-N 264.328 3.536 30 20 CHED Cc1cc(C)cc(CSc2cc(C#N)nc(C)n2)c1 308282379 OXAROPVBXNVFCQ-UHFFFAOYSA-N 269.373 3.566 30 20 CHED C#C[C@H](CCC)NC(=O)c1sc2cccc(F)c2c1C 700626262 KGEFEINMRRNVDH-LLVKDONJSA-N 289.375 3.881 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 442887736 BFHASPNAWCXSCM-CQSZACIVSA-N 272.392 3.579 30 20 CHED N#Cc1ccc(NCCCc2nccs2)cc1Cl 344433905 NPLKBZWWVGWJPN-UHFFFAOYSA-N 277.780 3.713 30 20 CHED C[C@@H](N(C)Cc1ccc(C#N)cc1Cl)C1(C)CC1 385669869 AMKMJZOOTJDIMI-LLVKDONJSA-N 262.784 3.832 30 20 CHED c1ccc(CNN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 916344416 VYRCCVPUQZUACX-FPCVCCKLSA-N 254.377 3.588 30 20 CHED CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(C#N)cc1 106406909 RXMRXWLMJLOWJV-NSHDSACASA-N 298.308 3.607 30 20 CHED C=C(C)COC(=O)Cc1coc2cc(C)c(C)cc12 58831987 TWERIMXULPRYBD-UHFFFAOYSA-N 258.317 3.711 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C#N 107345956 OMMAJGQPFDVOLH-VIFPVBQESA-N 299.201 3.590 30 20 CHED N#Cc1ccccc1CSCCNC1CCCCC1 170670668 NTGRGSALTJCYKN-UHFFFAOYSA-N 274.433 3.714 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c(C)c1 51637603 OPDSJTXQZBXMNP-UHFFFAOYSA-N 282.318 3.875 30 20 CHED Cc1ccc(C/N=C(/N)Nc2ccc(C)c(C)c2)cc1 104153692 VUHOQPLNSPIJCM-UHFFFAOYSA-N 267.376 3.539 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1cccc2ccccc12 175069115 PIQHRYKEVULKHI-GFCCVEGCSA-N 289.338 3.531 30 20 CHED C=CCNC(=O)[C@H](C)Nc1cccc(Oc2ccccc2)c1 52635809 ZECNNLQSWJZQPR-AWEZNQCLSA-N 296.370 3.582 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@H](C)CC2CCCC2)n1 114617308 FUNHPMGFPPEQRJ-ZWNOBZJWSA-N 276.405 3.844 30 20 CHED C=C(Br)CNCC[C@H](C)c1ccccc1 61910556 VTSPUOTVEQYUNC-NSHDSACASA-N 268.198 3.678 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2ccccc2CC1 118400165 FRBRQAXMBIBATD-HNNXBMFYSA-N 276.383 3.720 30 20 CHED CC(C)[C@H](C#N)OC(=O)Cc1coc2cc3c(cc12)CCC3 176038947 UKDXICAHHKGIGN-KRWDZBQOSA-N 297.354 3.555 30 20 CHED COc1ccc([C@H](C)[C@@H](C)NCc2cccc(C#N)c2)cc1 177579406 RJLYITYLIVCXPE-HUUCEWRRSA-N 294.398 3.849 30 20 CHED N#CC1(C(=O)Nc2nc(-c3ccccc3)cs2)CCCC1 20962474 SEPHQIIRAKORSL-UHFFFAOYSA-N 297.383 3.833 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCC(F)(F)C2)cc1 306010247 OQZCSNMZUAQTHO-GFCCVEGCSA-N 250.292 3.796 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2sccc2C1 118392021 ONGRBTVQPZXHDU-LBPRGKRZSA-N 268.385 3.739 30 20 CHED CN(Cc1ccncc1)c1ccc(C#N)cc1C(F)(F)F 301377451 WRZNGRJUWIAIDQ-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CN(CC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1C#N 302730122 VGKDNDMEYLRJOK-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED CCc1ccc([C@H](C)C(=O)NCc2ccc(C#N)cc2)cc1 67970363 RKHCEEXCTJMQLX-AWEZNQCLSA-N 292.382 3.541 30 20 CHED Cc1ccccc1C[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 302171767 MOPQWAOMURUNAD-ZDUSSCGKSA-N 295.342 3.818 30 20 CHED C=CCCCOC(=O)c1csc(-c2ccccc2)n1 117993675 LQHWBXZEJHMBMW-UHFFFAOYSA-N 273.357 3.933 30 20 CHED Cc1ccc(CCNc2c(C#N)cccc2C#N)c(C)c1 302873195 CWTSOQFZIWPQDT-UHFFFAOYSA-N 275.355 3.701 30 20 CHED N#Cc1ccc(N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 171216274 XINWUPZWJYPPEP-MSOLQXFVSA-N 278.355 3.890 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1ccc(F)c(C#N)c1 175339724 GAZSFABYWWYFJS-LLVKDONJSA-N 277.343 3.597 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1c(Cl)cccc1Cl 125088968 BLJWGSJZOYWGGA-SECBINFHSA-N 289.158 3.880 30 20 CHED C[C@@H](Nc1c(C#N)cccc1C#N)c1cccs1 302827218 HSRYVBZTBMHWEZ-SNVBAGLBSA-N 253.330 3.665 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(CC(F)(F)F)cc1 173648109 ARKXIRCATXDBDY-UHFFFAOYSA-N 298.308 3.997 30 20 CHED N#Cc1cccnc1Sc1ccccc1Br 36961440 FYMRYKBJUXUFJQ-UHFFFAOYSA-N 291.173 3.867 30 20 CHED C[C@H](CCC1CCCCC1)Nc1ccc(C#N)nn1 301952787 CJRLDSBREKSJFH-GFCCVEGCSA-N 258.369 3.509 30 20 CHED Cc1ccccc1[C@H](CC(C)C)Nc1ccc(C#N)nn1 302011248 WLZMWGBANIEKQX-INIZCTEOSA-N 280.375 3.856 30 20 CHED N#Cc1ccnc(NCCCC2CCCCC2)c1[N+](=O)[O-] 301651109 QANSLCDNRVRWTP-UHFFFAOYSA-N 288.351 3.634 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1nc(C)cs1 129546463 WMFHENCQULEZAT-UHFFFAOYSA-N 288.416 3.648 30 20 CHED N#CCCCN(Cc1ccc2c(c1)CCO2)C1CCCC1 76342988 JUFPNOUTDDRJBX-UHFFFAOYSA-N 284.403 3.670 30 20 CHED C=CCCC(=O)Nc1cc(CC)nc2ccc([N+](=O)[O-])cc12 180506035 TVOPJLNBOBGLQD-UHFFFAOYSA-N 299.330 3.610 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H](C)c2cccc(C#N)c2)n1 189829734 DDMCOTROFSAMBE-NSHDSACASA-N 294.383 3.690 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1C1CCCCC1 125374232 CTELQSQLZIYIEI-GOEBONIOSA-N 279.424 3.539 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 127783977 CALNYLXQNRMCGT-CYBMUJFWSA-N 282.334 3.537 30 20 CHED C=CCC1(C(=O)Nc2ccc3nc(C)oc3c2)CCC1 187894937 GPZBEJSUUANZDB-UHFFFAOYSA-N 270.332 3.821 30 20 CHED C[C@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 75275374 RXTXEAIWPQDBCG-ILXRZTDVSA-N 284.403 3.952 30 20 CHED CC(=O)Nc1ccc(C)c(N[C@@H](C)c2ccc(C#N)cc2)c1 78998001 DLJLTTDJSIWBSN-ZDUSSCGKSA-N 293.370 3.998 30 20 CHED CCN(C(=O)CCC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 79716276 YABRBAITEQGXKB-NSHDSACASA-N 298.308 3.810 30 20 CHED CCOc1ccccc1[C@H](C)NCC(C)(C)CC#N 414166377 NNBIDINTUNJZDO-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CCCc3sccc32)cc1 126086770 KIBKXRWXGGYJMY-OAHLLOKOSA-N 297.379 3.783 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(Cl)cc(Cl)c1 155437856 ADHWQBYEFVNRAY-JTQLQIEISA-N 286.162 3.807 30 20 CHED CC(C)(C#N)CCCN1CCSC[C@H]1c1nccs1 187036171 PVYBAZRCXHYZPM-LBPRGKRZSA-N 295.477 3.563 30 20 CHED Cc1cc(CN2CC=C(C(F)(F)F)CC2)ccc1C#N 488160641 IVWIFENCFJAZPD-UHFFFAOYSA-N 280.293 3.561 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1 488878574 MSTZIZRVDXBWMM-LLVKDONJSA-N 267.731 3.660 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C)[C@H](C)C1 508734811 STLHAUXWEWHWPP-HUUCEWRRSA-N 296.418 3.613 30 20 CHED CCc1oc2ccccc2c1CN(CCC#N)CCC#N 180042749 AULVPEPOEMXCJP-UHFFFAOYSA-N 281.359 3.625 30 20 CHED Cc1cc(Cl)cc(C(=O)[C@H](C#N)c2ccccn2)c1 121505910 CGYAPMTXOMTOCQ-CYBMUJFWSA-N 270.719 3.534 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H](CC(C)C)OC)c1ccccc1 416071447 ZPIPVVFQFKAQFH-IAGOWNOFSA-N 289.419 3.524 30 20 CHED CCC(CC)[C@@H]1C[C@@H](Nc2nc(C)ccc2C#N)CCO1 182971850 ZWTGIHWLSWZXRG-HOTGVXAUSA-N 287.407 3.657 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCOc1ccccc1Cl 410127740 OGMNADYDOIYFIM-CYBMUJFWSA-N 295.810 3.970 30 20 CHED C[C@@H](CN(C)CC(C)(C)CCC#N)c1nccs1 183249897 NTNIZRDTXZTJBR-LBPRGKRZSA-N 265.426 3.508 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1csc(C(C)(C)C)n1 182592861 KEXNUUWETFOJEA-GFCCVEGCSA-N 294.464 3.844 30 20 CHED C#C[C@@H](C)NC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 186010880 LRKUTKODGKCEDP-CHWSQXEVSA-N 290.432 3.569 30 20 CHED C=CCOCCCSCc1ccc(COC)cc1 419469356 CWZREFKXCMNSQQ-UHFFFAOYSA-N 266.406 3.659 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OCCC)cc1C 185454597 SGABTPHBVVOSLX-UHFFFAOYSA-N 273.376 3.772 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccccc1Br 157232284 MEAUAYLGKAMBSV-VHSXEESVSA-N 254.171 3.674 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(C#N)c1 32416393 LHDQDPBOIWRTEZ-JKSUJKDBSA-N 284.403 3.893 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CC12CCCCC2 411064647 NCVIIQCJZPRVJU-OAHLLOKOSA-N 296.370 3.670 30 20 CHED CC#CCCCC(=O)N(C)[C@H](CC)Cc1ccccc1 185676140 QYVNOWXOUXUSPQ-QGZVFWFLSA-N 271.404 3.660 30 20 CHED N#CCC[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccccc1 188745643 MZJZPSCQBVJSAG-NVXWUHKLSA-N 282.387 3.894 30 20 CHED C=CCCC(=O)N(CC)C[C@@H](CC)c1ccccc1 185136773 GMUVXAFWWJLRTE-OAHLLOKOSA-N 259.393 3.995 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C)cc1SC 417266477 JNSFHNBXLSBXCR-UHFFFAOYSA-N 276.405 3.923 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)CCCC(C)C 217421129 LRPASFNUXYZCRN-AWEZNQCLSA-N 254.418 3.809 30 20 CHED N#CC1(CCn2ccc3ccsc3c2=O)CCCCC1 418981601 ZSZOXPGQBBHULG-UHFFFAOYSA-N 286.400 3.927 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1 212579771 JTTTYMWMYPJLHD-UITAMQMPSA-N 296.322 3.710 30 20 CHED Cc1occc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 75297793 UXSPXUNUFSGKCP-IAGOWNOFSA-N 294.354 3.500 30 20 CHED C=CCOc1cccc(NC(=O)N2[C@@H](C)CC[C@@H]2C)c1 135541758 PJKKOWDOVORKIU-STQMWFEESA-N 274.364 3.656 30 20 CHED C=CCC[C@H](C(=O)N(C)c1ncccc1F)c1ccccc1 188727345 PAMAJNHPECSCNG-HNNXBMFYSA-N 298.361 3.934 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 410135595 GDBHBHBZDDPGLZ-IACUBPJLSA-N 277.795 3.914 30 20 CHED CC(C)c1ncncc1/C(O)=N/[C@@H]1CC12CCCCC2 329111345 KASXDXFFAWYNSL-CYBMUJFWSA-N 273.380 3.627 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](CC)c1ccccc1 413644799 XRKTWDHKFZQDIL-JKSUJKDBSA-N 272.392 3.888 30 20 CHED N#CC1(CCn2c3c(sc2=O)CCCC3)CCCCC1 418864271 KCVLHLDAMDJLCH-UHFFFAOYSA-N 290.432 3.653 30 20 CHED C=CCOc1ccccc1C(=O)NCC1(C2CC2)CCC1 505750031 NTRAKZBKPZWBJS-UHFFFAOYSA-N 285.387 3.562 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329663892 PIEUPSFMTZQKPI-RWMBFGLXSA-N 276.380 3.819 30 20 CHED C#CCCCC(=O)N[C@H](CCC)CCc1ccccc1 192136662 VFKIGVVRXLCFCS-QGZVFWFLSA-N 271.404 3.708 30 20 CHED CCCCC1CCC(NC(=O)[C@@](C)(C#N)CC)CC1 506848063 FMGBPHRYFJNQOO-ZBCRRDGASA-N 264.413 3.791 30 20 CHED CCO[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C12CCCC2 85679294 FEDMLJYDYMINJF-CVEARBPZSA-N 288.366 3.847 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc2ccsc12 501235851 PCZMTWWRTLMDJV-JTQLQIEISA-N 260.362 3.987 30 20 CHED C=CC[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 139532055 FPZWJARILVGIAN-KRWDZBQOSA-N 277.367 3.936 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F 424337721 ZWIFCJYZIYUTBA-JBLDHEPKSA-N 298.308 3.770 30 20 CHED CC(C)CN(C)CC#Cc1ccc(C(F)(F)F)cc1 426382477 RMERNMHKUUSQFB-UHFFFAOYSA-N 269.310 3.645 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1ccccc1F 421353040 RWVJCSHZXBYDCM-OAHLLOKOSA-N 274.364 4.000 30 20 CHED C=C(Cl)CNC(=O)c1cc2ccc(F)cc2s1 134809638 PXAQNDBIKABKGU-UHFFFAOYSA-N 269.728 3.523 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 424826761 FQAYURMHZOBRRG-SHTZXODSSA-N 257.377 3.651 30 20 CHED COc1cccc2c1CC[C@H]2/N=C(/O)c1ncoc1C1CC1 328865389 BRZDURHJWZMVHD-CYBMUJFWSA-N 298.342 3.553 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])C1 425228542 KIYSBKQTQJOIJF-VXGBXAGGSA-N 291.376 3.553 30 20 CHED C=C(Cl)CSc1nnc(Cc2ccccc2)n1CC 44176755 CHUOKQLROTVQOZ-UHFFFAOYSA-N 293.823 3.733 30 20 CHED N#Cc1cccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1 47375634 OVEYJHBQYMXZRO-INIZCTEOSA-N 297.317 3.597 30 20 CHED N#CCSCC(=O)OCCCc1cccc2ccccc12 131745619 WKNVVELGWSYFPI-UHFFFAOYSA-N 299.395 3.572 30 20 CHED CC[C@@H](C)CNCc1cccc(OCCCC#N)c1 421378770 KPKIZWJQYABFAR-CQSZACIVSA-N 260.381 3.505 30 20 CHED N#Cc1csc(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 84073302 DPOOGCSDPIUELE-HNNXBMFYSA-N 282.368 3.501 30 20 CHED C#CCCCCC(=O)N(C)c1ccc(OC(C)C)cc1 191638805 PFJZZXRHQCENLE-UHFFFAOYSA-N 273.376 3.630 30 20 CHED C=C(C)CN(CCC(C)(C)CC)Cc1ccc(CO)o1 512221425 YKZZLJAWSFFCMT-UHFFFAOYSA-N 279.424 3.976 30 20 CHED C=CCc1cccc(F)c1OCc1nc(C(C)C)no1 424101604 NHPUCVANQJVVIL-UHFFFAOYSA-N 276.311 3.640 30 20 CHED C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)CCS1 192170775 COIJINZLTXAXEH-CYBMUJFWSA-N 279.836 3.519 30 20 CHED C=CCCCCCSc1nnc(-c2ccco2)n1C 195408145 PNALEORWHFXWLB-UHFFFAOYSA-N 277.393 3.914 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N1CCC(C#N)CC1 335401599 MSEBCCOVINBFQX-UHFFFAOYSA-N 299.418 3.887 30 20 CHED C[C@@H]1CC(=O)Oc2cc(OCc3cccc(C#N)c3)ccc21 194666476 MMKKAZDWCKVYEO-GFCCVEGCSA-N 293.322 3.550 30 20 CHED CC1=C(c2ccco2)CN(c2c(C#N)cccc2C#N)CC1 337840332 ZASAVYIMPTWCRV-UHFFFAOYSA-N 289.338 3.707 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)CS[C@@H]2CCCN=C2O)[C@@H]1C 330168810 BCAMNCNLGBIAEA-FVCCEPFGSA-N 298.452 3.620 30 20 CHED CC(C)CC[C@@H](C)/N=C(/O)c1coc(C2CCOCC2)n1 331001767 XKFSHCDEROUFGN-GFCCVEGCSA-N 294.395 3.698 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC=Cc2ccccc21 510453845 BZHUYDCBUNRFFP-UHFFFAOYSA-N 288.350 3.930 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC1(C)C 512387024 KPRSXEHPOVOYDA-OAHLLOKOSA-N 290.382 3.712 30 20 CHED CC(C)Cn1cc(N/C(O)=N/CC(C)(C)C(C)C)cn1 331328620 RDFZYXVCWRPTGH-UHFFFAOYSA-N 280.416 3.547 30 20 CHED CC1(C#N)CCC(Nc2cccc(-c3cc[nH]n3)c2)CC1 334574466 CZIJHKZSIFRYQW-UHFFFAOYSA-N 280.375 3.961 30 20 CHED CN(C(=O)NCC(C)(C)CC#N)[C@@H]1CCCc2ccccc21 516410753 MBGVTXVQFKIGAL-MRXNPFEDSA-N 299.418 3.645 30 20 CHED Cc1ccc(-c2ccc(CN(C)[C@H](C)CC#N)o2)cc1 93091027 TWYHMKRQVVLRIY-CQSZACIVSA-N 268.360 3.989 30 20 CHED CC[C@@H](C#N)Nc1cc(Cl)ccc1OC(C)C 516609904 IHYLYNAAGAMJBJ-NSHDSACASA-N 252.745 3.841 30 20 CHED C#Cc1cccc(NCc2cnc3c(cnn3C(C)C)c2)c1 236783750 PZFIOXOCQKRETJ-UHFFFAOYSA-N 290.370 3.606 30 20 CHED CCOc1cccc([C@H](C)NCc2cc(C#N)ccc2F)c1 90117830 VPBIFKDGWGUGDZ-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED CC1=C[C@@H](C)CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 335898426 USCVVBGCUXCBPM-CYBMUJFWSA-N 297.402 3.918 30 20 CHED CC(C)(CCC#N)CN1CCO[C@@H](c2cccc(F)c2)C1 92975925 RZJWGNNMZRQWBP-MRXNPFEDSA-N 290.382 3.529 30 20 CHED CSC[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 91208181 FBKHFQQRWGYXGX-VIFPVBQESA-N 296.461 3.855 30 20 CHED CS[C@H](C)CC(=O)N(CC(C)C)c1ccc(C#N)cc1 339818213 IDOBTCQMNXNLGZ-CYBMUJFWSA-N 290.432 3.689 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2ccc(C#N)cc2)CC12CCCC2 333800266 FZCHHQGQGWNTGF-INIZCTEOSA-N 297.402 3.991 30 20 CHED Cc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ccc1F 237701804 WETYDQXFEQMXOV-AWEZNQCLSA-N 298.361 3.715 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@H](C)CC[C@@H]1CC 436306748 JGUAJRHSOIFPLH-JJTUDDRGSA-N 265.441 3.772 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(N(C)C)cc1C 432716694 KVPBGDFENQMKIS-UHFFFAOYSA-N 289.423 3.785 30 20 CHED N#Cc1cccnc1NCCn1ccc2cc(Cl)ccc21 343224710 RKWCOBXRVNYGPF-UHFFFAOYSA-N 296.761 3.673 30 20 CHED C=CC[C@@H]1N(C(=O)CC[C@@H]2CCCO2)CCCC1(C)C 347479481 GUOWQMDVAJGDRJ-GJZGRUSLSA-N 279.424 3.539 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CC[C@H](CC)O2)CCCC1(C)C 347474691 WPBRDSNKOVSZGK-ZNMIVQPWSA-N 279.424 3.537 30 20 CHED CC(C)(C)Oc1cccc(CSCC2(C#N)CC2)n1 344459998 KRWSSGDCUOOQLV-UHFFFAOYSA-N 276.405 3.796 30 20 CHED C[C@@H](CCC#N)CNc1cccc(C(=O)NC(C)(C)C)c1 602492956 USRLMWABRSMTSB-ZDUSSCGKSA-N 287.407 3.567 30 20 CHED C=CC[C@H](Cc1ccccc1)NC[C@H](C)CCC#N 602693003 KYHSPGYUZJPMNJ-NVXWUHKLSA-N 256.393 3.703 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3c2OCO3)s1 255122621 LYNLAXJQTKYACW-SREVYHEPSA-N 272.325 3.681 30 20 CHED N#Cc1c(F)cccc1NC1CCC2(CCOCC2)CC1 439609944 CWAAZKSWMHIECX-UHFFFAOYSA-N 288.366 3.849 30 20 CHED CCN(CCC#N)C(=O)c1c(-c2ccccc2)oc(C)c1C 436132368 AQVLNTRIGLEFJJ-UHFFFAOYSA-N 296.370 3.939 30 20 CHED C=CCCN(CCc1ccc(OC)c(OC)c1)CC(C)C 606898086 GYYDCRQFYINZPE-UHFFFAOYSA-N 291.435 3.780 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1ccc(OC)c(Cl)c1 528815510 GOYISSCXKQTWDU-UHFFFAOYSA-N 294.782 3.641 30 20 CHED N#Cc1cccc(NC(=O)C/C=C\c2ccccc2F)c1 255693981 DITHJLILIABVPH-DAXSKMNVSA-N 280.302 3.739 30 20 CHED CC(C)OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 523447037 YRRWAAIPOBHEBT-UHFFFAOYSA-N 280.327 3.867 30 20 CHED C/C=C/c1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 521016810 YXLOTGHYMAYGNC-NSCUHMNNSA-N 280.302 3.983 30 20 CHED C=CCCCN(C)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 449904367 WIXAPGKRNCZNRA-SJORKVTESA-N 271.404 3.995 30 20 CHED CCCOc1cccc(-c2cn([C@@H]3CC[C@H](C#N)C3)nn2)c1 600974112 VTCDOKKERXGPKV-DZGCQCFKSA-N 296.374 3.599 30 20 CHED CN(C(=O)C[C@H](CC#N)c1ccccc1)C1CCCCC1 353825895 MAXDSWIWCWZGSI-INIZCTEOSA-N 284.403 3.865 30 20 CHED C[C@@H](c1nc2ccccc2s1)N(C)CCCC#N 184265426 MUUDBWOFWNRPIV-NSHDSACASA-N 259.378 3.593 30 20 CHED COCCN(C[C@H](C)CCC#N)[C@@H](C)c1ccccc1 602443599 GHALKWLJALAUQC-CVEARBPZSA-N 274.408 3.636 30 20 CHED Cc1ccc(C[S@](=O)CCCCC#N)c(Cl)c1 447114380 QVDYCBGUZQPSMZ-QGZVFWFLSA-N 269.797 3.591 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCCC(=O)C(C)(C)C 448823763 PWNBQCMCRDCRJQ-UHFFFAOYSA-N 286.375 3.591 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@@H](OCC)C23CCCC3)CC1 356267494 REBPLYZROLQENX-LSDHHAIUSA-N 291.435 3.587 30 20 CHED C=CC(C)(C)CNCc1cc(OC)ccc1OC(F)F 449484087 FASAPYLHLYFAEQ-UHFFFAOYSA-N 285.334 3.598 30 20 CHED Cc1ccc(CN(c2ccc(F)cc2C#N)C2CC2)o1 610514994 SFHXHNXAMCDSRU-UHFFFAOYSA-N 270.307 3.768 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(CN3CCCCC3)c2)C1 442857737 NOWXIPYSCGTKJN-QAPCUYQASA-N 283.419 3.777 30 20 CHED C=C[C@@H](CC(=O)N1CCC(CC)CC1)c1ccccc1 533948601 SCICYQFGKYQLQN-INIZCTEOSA-N 271.404 3.995 30 20 CHED CC(C)[C@H](C)N(C)C(=O)C[C@H](CC#N)c1ccccc1 354304882 XZKMCEIQNJRXPL-HOCLYGCPSA-N 272.392 3.577 30 20 CHED CCOc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1C 613255223 IGCVRZDFGMEFHE-ZIAGYGMSSA-N 258.365 3.888 30 20 CHED C[C@H](CC#N)N(C)C(=O)CC(C)(C)C1CCCCC1 355676116 UYRNYTIYFMHHKM-CYBMUJFWSA-N 264.413 3.744 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccc2c(c1)CCC2 538334862 YDEBNHIUVYWPOC-CQSZACIVSA-N 271.404 3.579 30 20 CHED CC(C)Cn1cc(Nc2nc(C(C)(C)C)ccc2C#N)cn1 613426258 QPNXHCGVVMPZKI-UHFFFAOYSA-N 297.406 3.847 30 20 CHED C=CCOCc1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 356190545 ICJBGVHAMMRMAT-UHFFFAOYSA-N 283.331 3.537 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@H]3CCCC[C@H]3C2)n1 613426846 KKUKLIOODQVPAZ-GASCZTMLSA-N 283.419 3.877 30 20 CHED Cc1cc(CNc2ccc(CN(C)C)c(C)c2)ccc1C#N 459745678 FCSDRXYILOPFRI-UHFFFAOYSA-N 293.414 3.849 30 20 CHED CC[C@@H](N[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 618574760 JOTZVGXHKRTIEK-UONOGXRCSA-N 264.319 3.787 30 20 CHED C=CCC1(C(=O)N=c2cc(C)n([C@H](C)CC)[nH]2)CCCC1 450420598 QZGQXGXVFYXQLY-CYBMUJFWSA-N 289.423 3.659 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](c2cccc(F)c2)C1 266909980 KZFLXBBCKJNMQX-HNNXBMFYSA-N 274.383 3.945 30 20 CHED CC(C)c1occc1C(=O)Nc1cccc(CC#N)c1 456725433 AHPIVRTVGCSCPS-UHFFFAOYSA-N 268.316 3.721 30 20 CHED C=C(C)[C@H](CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)OCC 535134285 RSMPYNFIBRNJPH-QXSJWSMHSA-N 279.424 3.537 30 20 CHED N#Cc1ccc(CN2CCCC[C@H]2Cc2ccc(F)cc2)o1 536684544 KVBHXMUIWLONRC-INIZCTEOSA-N 298.361 3.888 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](CCCC)C1CCC1)OCC 534417323 FIMUKJMJUDZHJV-HOTGVXAUSA-N 281.440 3.833 30 20 CHED C=CCCc1noc(C[C@@H](C)c2ccc(F)cc2F)n1 453238996 RAAUHBWWOQEKGN-SNVBAGLBSA-N 278.302 3.813 30 20 CHED N#Cc1cc(CN(C2CCCCC2)C2CC2)ccc1F 610719253 HGISIVNBUFSSPO-UHFFFAOYSA-N 272.367 3.994 30 20 CHED CC(C)OCCCCN[C@H]1CCCc2cc(C#N)ccc21 611973776 MIJVYFDMDCKIBC-SFHVURJKSA-N 286.419 3.730 30 20 CHED C[C@H](C1CCC1)N(C)Cc1ccc(Cl)cc1C#N 360120792 ALZRTSSKNQYVBS-LLVKDONJSA-N 262.784 3.832 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(OC)c(C)c2)no1 273729153 APNKGDHEHMLAAC-GFCCVEGCSA-N 288.347 3.707 30 20 CHED Cc1ccc(-c2nc(CN[C@@H]3CCC[C@@H](C#N)C3)co2)cc1 278904539 ZSGOMAVHZFUOPB-GDBMZVCRSA-N 295.386 3.822 30 20 CHED C[C@@H](CCc1ccccc1)CNCC(C)(C)CC#N 459729759 KSKCIXVSBWTCBK-HNNXBMFYSA-N 258.409 3.785 30 20 CHED CC#CCCCC(=O)N(CCc1ccc(F)cc1)C1CC1 274275877 COVRMANHSBKRHS-UHFFFAOYSA-N 287.378 3.553 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC#N)cc2)C1 456996025 HTUUVXFUBGKMNI-ZQIUZPCESA-N 284.403 3.697 30 20 CHED Cc1ccccc1[C@@H](NC(=O)N(C)CC(C)(C)C#N)C1CC1 458372349 ATYGEBBGHOIQKC-INIZCTEOSA-N 299.418 3.637 30 20 CHED CCCc1ccc([C@@H](NC(=O)CC#N)c2cccs2)cc1 273909344 AMSJJEVKXLOWDW-QGZVFWFLSA-N 298.411 3.820 30 20 CHED C=CCC[C@@H](C)NCc1cccc(CN(C)C(C)C)c1 542666305 XHAKNGPFQCUWIF-MRXNPFEDSA-N 274.452 3.971 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](CC(F)(F)F)C(C)C 543624078 KYRPCKQYGXLUJW-QWRGUYRKSA-N 280.334 3.617 30 20 CHED C=CCC1(CN[C@H](C)c2cc(C)n(C)n2)CCCC1 453336552 AIRIWBZXGYMBSF-CQSZACIVSA-N 261.413 3.516 30 20 CHED C=CCN(C(=O)c1cc2c(C)c(C)ccc2[nH]1)C1CC1 271472481 HIUOUIRRHRZJJX-UHFFFAOYSA-N 268.360 3.575 30 20 CHED C=C(C)[C@H](Cc1nc(-c2cccc(C)c2F)no1)OCC 279097717 WWORDCCZAKOMAB-ZDUSSCGKSA-N 290.338 3.708 30 20 CHED C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccon1 360884126 NPJFQLDKRAQJKJ-PXAZEXFGSA-N 281.359 3.665 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(C)c(Br)cn1 628253987 HGYRUPYTNXFYLB-CYBMUJFWSA-N 295.224 3.693 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@H](C)c1cccc(C)c1 545297557 SVOUXBDNHCRQJQ-CYBMUJFWSA-N 294.354 3.618 30 20 CHED Cc1ccc(-c2nc(CN[C@H]3CCC[C@@H](C#N)C3)co2)cc1 278904574 ZSGOMAVHZFUOPB-ZBFHGGJFSA-N 295.386 3.822 30 20 CHED C#CCCCC(=O)Nc1cc(F)c(Br)cc1C 276996137 JBGSITJXQCALMS-UHFFFAOYSA-N 298.155 3.639 30 20 CHED N#CCCC[S@@](=O)Cc1cccc(Cl)c1Cl 278063797 KYVODTPHKRHAKC-MRXNPFEDSA-N 276.188 3.546 30 20 CHED C=CCC[C@@H](NC(=O)CC(C)(C)OC)c1ccccc1 278864443 YOCSQBMXVPBYRE-OAHLLOKOSA-N 275.392 3.625 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1 541757223 ONSBNZNSJJUMIJ-AWEZNQCLSA-N 290.794 3.862 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1C(C)(F)F 455800545 FXDAKNZOMNMCLY-JTQLQIEISA-N 268.307 3.884 30 20 CHED C=C(C)CCSc1nnc(Cc2cccc(OC)c2)o1 274715447 BXXXUMRGTDBTSR-UHFFFAOYSA-N 290.388 3.727 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)cc1NC(C)C 467784716 HNNCHUFRFLPOHE-UHFFFAOYSA-N 276.355 3.778 30 20 CHED C=CCSCCNC(=O)N[C@@H](C)c1c(C)cccc1C 546191139 DNFPNOYXOFVPLS-AWEZNQCLSA-N 292.448 3.583 30 20 CHED C=CCN(C(=O)CSc1cccc(OC)c1)C(C)(C)C 622943447 BTMFFQZPNCHGRZ-UHFFFAOYSA-N 293.432 3.600 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 464647599 NRSNTOIHZUVJOS-GFCCVEGCSA-N 282.318 3.830 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1sccc1C 280715173 DZLYFBYXFXULTQ-MCIONIFRSA-N 265.422 3.688 30 20 CHED CSCC(C)(C)C(=O)O[C@H](C)c1ccc(C#N)cc1 281940157 PHOFPOVOJPEZAL-LLVKDONJSA-N 277.389 3.552 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 550701088 HONXMGJSBHENBX-KGLIPLIRSA-N 251.414 3.920 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(CC)CCCC 460935260 NACHULUEOZRDIH-UHFFFAOYSA-N 264.417 3.604 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1C(=O)N(CC#N)c1ccccc1 460067189 QYKYRPKROPHZSF-IEBWSBKVSA-N 290.366 3.521 30 20 CHED C=C[C@](C)(CC)c1nc([C@@H]2CCC(F)(F)C2)no1 289081584 JQHIKCJXXUFQPC-BXKDBHETSA-N 256.296 3.826 30 20 CHED CSc1ccc(CCN[C@@H]2CCC[C@@H](C#N)C2)cc1 280717409 FJGIVEZGBCKHSG-HUUCEWRRSA-N 274.433 3.623 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H](C)[C@H]1CCC 466380346 MYJZHQBDGCBXQP-QLFBSQMISA-N 266.429 3.951 30 20 CHED COc1cc(C#N)ccc1CN1CC(C)(C)[C@H]2CCC[C@H]21 559431286 AZZLDTJWMDGIHT-JKSUJKDBSA-N 284.403 3.577 30 20 CHED Cc1ccc(F)cc1C1(c2noc(CC(C)(C)C#N)n2)CC1 289257726 ZFJFVQQTZINVIN-UHFFFAOYSA-N 299.349 3.689 30 20 CHED C=CCCC1(C(=O)N2CC[C@@](C)(c3ccccc3)C2)CC1 476304084 LWEXVESHAUOBEB-GOSISDBHSA-N 283.415 3.923 30 20 CHED Cc1ccc2ncc(C#N)c(OCC3CC(F)(F)C3)c2c1 295282498 IRAAXMZYSYJBQB-UHFFFAOYSA-N 288.297 3.839 30 20 CHED C#CCO[C@@H](C)C(=O)Nc1c(CCC)cccc1C(C)C 296478306 YGNJFIJUOQNNAC-AWEZNQCLSA-N 287.403 3.739 30 20 CHED Cc1cc(CNc2ccccc2SC[C@@H](C)C#N)on1 290536512 HWHLPSBBPZDRAN-NSHDSACASA-N 287.388 3.847 30 20 CHED CC[C@H](C)n1ncc(Nc2nc(Cl)c(C#N)s2)c1C 804648530 FBMIMNSQVUZHDJ-ZETCQYMHSA-N 295.799 3.888 30 20 CHED C#C[C@@H](NC(=O)CC/C=C\c1ccccc1)C(C)(C)C 807883743 PNZQMDSQOJMMSV-RCBBPTIPSA-N 269.388 3.644 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(Oc2ccc(Cl)cc2)CC1 551285273 PSUKBLTUFGZZMB-CYBMUJFWSA-N 293.794 3.722 30 20 CHED C=CCCCCCCNCc1ccc(-n2cncn2)c(C)c1 808419857 YYCIWZWAYDUPIT-UHFFFAOYSA-N 298.434 3.802 30 20 CHED C=CCCc1noc([C@H](C)CCOc2ccccc2)n1 297439869 WAGCWARMMDFVPQ-CYBMUJFWSA-N 272.348 3.761 30 20 CHED COc1cc(Cl)c(NC(=O)C#Cc2ccccc2)cc1C 809357571 BSJYCZCIAHZPCX-UHFFFAOYSA-N 299.757 3.647 30 20 CHED CCOc1ccccc1/C=C1\Cc2nc(Cl)ccc2C1=O 806577196 AJOMCZHHXOMAMD-FMIVXFBMSA-N 299.757 3.956 30 20 CHED Cc1ccc2oc(C(=O)Nc3scc(C)c3C#N)cc2n1 809004176 LUZKYOANVHQXJF-UHFFFAOYSA-N 297.339 3.630 30 20 CHED C=CCCCCN1CCC(C(=O)Nc2ccccc2)CC1 563935442 UTLNMPRWVNJCER-UHFFFAOYSA-N 286.419 3.693 30 20 CHED CC#CCN(C)C(=O)Cc1csc2ccc(Cl)cc12 564061902 HZTDYSHRMZIGIK-UHFFFAOYSA-N 291.803 3.579 30 20 CHED N#Cc1ccc(CNc2ccc([C@@H]3CCOC3)cc2)cc1 292867327 BBIGNFQKUVQKAP-QGZVFWFLSA-N 278.355 3.674 30 20 CHED C=CCC1(C(=O)NCc2c(F)cccc2Cl)CCC1 478089810 OJORZTRTUAVPIC-UHFFFAOYSA-N 281.758 3.842 30 20 CHED FCCC[C@@H]1CCCC1=NNc1ccc2[nH]ncc2c1 800816063 YSLMNTVCVHUKQJ-NSHDSACASA-N 274.343 3.881 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 471716696 XFEVPMFSYJIDJM-LLVKDONJSA-N 299.773 3.719 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ncc(Cl)s1 478930349 UBLJCNFFFMPCFT-UHFFFAOYSA-N 278.764 3.864 30 20 CHED CCCCCCCCC(=O)N1C[C@H](N2CCCC2)C[C@H]1C 804523866 DDEXGKYAXHQVBV-IAGOWNOFSA-N 294.483 3.822 30 20 CHED C=CC1CCN(C[C@@H](O)Cc2ccc3ccccc3c2)CC1 470772614 KQYVUPUTUVMYFK-FQEVSTJZSA-N 295.426 3.641 30 20 CHED C=CCC[C@@H](CC)NC[C@@]1(C)OCCc2sccc21 562100918 WRYWQRRKWGKGRA-CZUORRHYSA-N 279.449 3.870 30 20 CHED Cc1ccc(C#N)cc1NCCCOc1cccc(C#N)c1 477595732 YXHKYLWXNNZYEL-UHFFFAOYSA-N 291.354 3.619 30 20 CHED Oc1ccc(Cl)cc1/C=N\[C@@H]1CCCC12CCOCC2 800722157 XGNXNAPHXGWYPB-JQFNYASXSA-N 293.794 3.814 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)NCCCCC#N 297680572 OFOWCCWYWNROQN-VYDXJSESSA-N 299.418 3.656 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CCCC(F)(F)C2)c(F)c1 800279011 CKFKZWSGVPCFMQ-LLVKDONJSA-N 297.276 3.566 30 20 CHED CC(C)[C@H]1N(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1(C)C 293938653 OGXWNFOKVXBLTQ-MRXNPFEDSA-N 298.430 3.994 30 20 CHED Cc1oc(C(C)C)nc1C(=O)OCCCCC(C)(C)C#N 803909117 HPALTPIWCQHLLQ-UHFFFAOYSA-N 292.379 3.983 30 20 CHED C#C[C@H](NCc1ccc(F)c2cccnc12)C(C)(C)C 809781838 BWRMOWASSPTYGM-HNNXBMFYSA-N 270.351 3.511 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(-c2ccc[nH]2)cc1 806389239 NRDHVMLXRLGZQN-AWEZNQCLSA-N 281.359 3.605 30 20 CHED C=CCn1cccc1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 488949653 SXCXUYDYFBLDLG-IAGOWNOFSA-N 294.398 3.740 30 20 CHED COc1cccc(O)c1/C=N\CCc1ccc(Cl)cc1 812390952 OWZGGMNYCKWDOM-WQRHYEAKSA-N 289.762 3.716 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(C#N)cc1F 812243548 OHBPQIIUQMPECZ-ZZXKWVIFSA-N 299.276 3.741 30 20 CHED Cc1cccc(C(C)C)c1NN=C1CC(=O)N2CCCC[C@@H]12 812232667 JWGSTFLTFJDQHZ-INIZCTEOSA-N 299.418 3.671 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC1(OC)CCCC1 483170240 RURSYIRWNIJKAX-UHFFFAOYSA-N 286.419 3.729 30 20 CHED CCCCCC(CCCCC)=NNc1cnnn1C 814981415 HAWIBYLNQMFGPV-UHFFFAOYSA-N 265.405 3.744 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc3c(c2)CCCC3)c1 813772228 CYVVJJFJNCESQY-UHFFFAOYSA-N 294.373 3.866 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CC[C@H](C)CC1 573094737 RNFZBFJNPWCOCG-HDJSIYSDSA-N 264.413 3.791 30 20 CHED C[C@H](C(=O)OCc1ccccc1C(C)(C)C#N)C(C)(F)F 815487483 HETSJDYSBODCPP-LLVKDONJSA-N 295.329 3.822 30 20 CHED COc1cccc(O)c1C=Nc1ccc(F)cc1C 812394346 ZFCHSWFLNVJGRL-UHFFFAOYSA-N 259.280 3.599 30 20 CHED N#Cc1c(CSc2nccn2C2CC2)cn2ccccc12 818111132 ZLMKWDPODZAYSU-UHFFFAOYSA-N 294.383 3.635 30 20 CHED C#C[C@@H](Nc1ncncc1Cl)c1ccc(Cl)cc1 811862707 LEENOCWLYZFGCH-GFCCVEGCSA-N 278.142 3.570 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](CC)Oc1cccc(C)c1 481253536 FLIMQCAAEWGSMQ-MRXNPFEDSA-N 275.392 3.577 30 20 CHED C[C@H](CN1CCCC(C)(C)[C@H]1C#N)c1ccc(F)cc1 577179956 SWGNMFIMSSJBTN-CZUORRHYSA-N 274.383 3.943 30 20 CHED C[C@]1(C(=O)N[C@@H](C#N)C2CCCCC2)C[C@@H]1c1ccccc1 578845581 KGNLSAWGJAMIOM-AOIWGVFYSA-N 296.414 3.769 30 20 CHED Fc1ccc(/C=C/C=NOC/C=C\Cl)cc1F 811668646 IMXSBEAFVYLIBT-WWZUBPOHSA-N 257.667 3.733 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1ccccc1SC[C@H](C)C#N 571728398 GFKQUHUNFOEOBA-FRRDWIJNSA-N 288.416 3.923 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1ccc(Cl)cc1 810540367 KJXAJLLBZQMZGT-LLVKDONJSA-N 264.752 3.994 30 20 CHED CC(C)(C)[C@H](NCc1ccc(C#N)cn1)c1cccc(F)c1 574980939 IGQHDOYJDLTBIF-QGZVFWFLSA-N 297.377 3.969 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)[C@H]1CCCC[C@@H]1C 825614439 VXVUOQXAZWFEFV-LRDDRELGSA-N 288.366 3.738 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1O 728232921 YBZWIASWSDQJJC-XBXARRHUSA-N 283.283 3.505 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N1CCc2cc(C#N)ccc21 822801516 ZNOQGCZTNCRCKV-AWEZNQCLSA-N 290.366 3.560 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2CC3(CCC3)C2)cc1 573372287 HNPREZNPQRBOKG-MRXNPFEDSA-N 282.387 3.510 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1 822836681 JKWRNGORGIHYFQ-YQQAZPJKSA-N 282.387 3.678 30 20 CHED C[C@@H](NC(=O)/C=C\c1cccc(F)c1)c1ccc(C#N)cc1 491094749 YENGSVQTJXOTOF-PGJNLMOESA-N 294.329 3.588 30 20 CHED CCN(Cc1ccc(N2CCCCC2)c(C)c1)C[C@H](C)C#N 827602052 MWNYUSXMPHVFDQ-MRXNPFEDSA-N 299.462 3.967 30 20 CHED CS[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C 571129763 YYHREKHFJASFPC-JKSUJKDBSA-N 288.460 3.913 30 20 CHED CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCCC[C@H]1C 727322396 IPENVOBVDOVDJZ-MONCYWFNSA-N 296.414 3.999 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 499519027 PJFKSYQVDZVNAD-ZQDZILKHSA-N 285.387 3.707 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2C#N)ccc1C 588618494 VYZMJGOYGLEJSS-KTKRTIGZSA-N 277.323 3.771 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C(=O)CCCCCC#N 588546559 IYYIESLAVBJPNC-KRWDZBQOSA-N 286.419 3.940 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 491774562 AJAKGSLZDADPMU-LBPRGKRZSA-N 299.399 3.604 30 20 CHED CCc1onc(C)c1C=NNc1cc(Cl)nc(Cl)c1 901253410 AZJRMRKRKNAELB-UHFFFAOYSA-N 299.161 3.693 30 20 CHED C=C(C)CCNc1ccc(Cl)c(C(=O)OC)c1 589056352 NBIONQQIGKJFDK-UHFFFAOYSA-N 253.729 3.505 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)C1 828293118 KNTOJQYFCUQCDR-YQVWRLOYSA-N 296.414 3.723 30 20 CHED CSCc1cccc(N=Cc2cccc(O)c2O)c1 731562688 GDOIUNBOJINAHA-UHFFFAOYSA-N 273.357 3.711 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)NCC(C)(C)CCC#N)C1 494630966 HSXFMSUUKCKULX-GJZGRUSLSA-N 293.455 3.830 30 20 CHED CC[C@H](N[C@H](C)c1cccnc1)c1cccc(C#N)c1 902726996 WAQPQEZWCNOGBS-DYVFJYSZSA-N 265.360 3.755 30 20 CHED C=C(CC)CN[C@H](C)c1nc(C(F)(F)F)cs1 490060132 UYIIDBNSQZNLAI-MRVPVSSYSA-N 264.316 3.779 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccccc1OC(F)(F)F 903100030 GSZNWTBJPTWUNH-SNVBAGLBSA-N 286.297 3.786 30 20 CHED CC(CCCCNC(=O)OC(C)(C)C)=NOC1CCC1 496385772 OKBLNERALDYZQB-UHFFFAOYSA-N 284.400 3.626 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCCCCC#N)C2 588640612 ZODREHIYXOTAPD-ZQIUZPCESA-N 276.424 3.791 30 20 CHED C=CCn1c(S[C@@H](C)OCC)nnc1-c1ccoc1C 901396088 WGJHIIWRHNLMRW-NSHDSACASA-N 293.392 3.507 30 20 CHED N#CC1(CCCCOC(=O)c2cccnc2Cl)CCC1 908709476 AKHJVSBCZSVIIM-UHFFFAOYSA-N 292.766 3.756 30 20 CHED CC(C)n1cncc1/C=C1\CSc2ccccc2C1=O 901428491 GYUHYBQDZLKTTR-KPKJPENVSA-N 284.384 3.836 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@H](C2CCC2)C1)c1ccccc1 665682817 JOMLZDHGMSSIPG-YJBOKZPZSA-N 283.415 3.995 30 20 CHED Cc1ccc2nc(NC(=O)C#CC(C)(C)C)sc2c1 837392788 CQUOIXJDQLFIDW-UHFFFAOYSA-N 272.373 3.593 30 20 CHED CCCC[C@H](CC)C(=O)N(C)c1ccc(C#N)cc1F 589763752 VGHPRIMAAFXAIK-ZDUSSCGKSA-N 276.355 3.877 30 20 CHED Cc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)ccc1Cl 588410400 TZYXJJBRHUPYAZ-VURMDHGXSA-N 288.778 3.895 30 20 CHED C=CCC[C@@H](CC)NC[C@@](CC)(C(=O)O)c1ccccc1 901896232 CRCWVGDWHZNJNQ-SJLPKXTDSA-N 289.419 3.753 30 20 CHED C=C(Cl)CNC(=O)N(Cc1ccccc1)CC(C)(C)C 736402980 ODTCJSFGRGCZCD-UHFFFAOYSA-N 294.826 3.997 30 20 CHED CC(=NNC[C@@H]1CCSC1)[C@H]1CCCC[C@@H]1C 834980432 RGVIDGGAHQVBDK-UBHSHLNASA-N 254.443 3.531 30 20 CHED N#CCCSc1ccccc1NC[C@H]1C[C@H]2CC[C@H]1O2 834548067 KTKGLGVRPFHKDS-UMVBOHGHSA-N 288.416 3.672 30 20 CHED C=C(CNC(=O)C1(Cc2ccccc2)CC1)c1ccccc1 673341640 LPCNVYQRKDLYNY-UHFFFAOYSA-N 291.394 3.839 30 20 CHED Cc1cncc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)c1 588476564 NQRQAFFSNCFQQR-IHWYPQMZSA-N 277.245 3.703 30 20 CHED C[C@@H](C#N)OC(=O)c1c(F)ccc(SCC2CC2)c1F 838146791 PUJFPHHRISVDSG-QMMMGPOBSA-N 297.326 3.536 30 20 CHED C[C@@H](c1ccc(Cl)cc1)N(C(=O)C#CC1CC1)C1CC1 837351770 BMLDEVRFGCEALP-LBPRGKRZSA-N 287.790 3.805 30 20 CHED N#C[C@@H](OC(=O)c1cnc2ccccc2c1)C1CCCCC1 838361039 GZNHXNMXRVZIHH-QGZVFWFLSA-N 294.354 3.864 30 20 CHED CCc1cnc(CSCCc2ccc(C#N)cc2)o1 596381528 MDIFATWNPMLLKH-UHFFFAOYSA-N 272.373 3.585 30 20 CHED CC(C)OCc1ccccc1C/N=C\c1cccc(O)c1O 914557072 MACQSDLWOCLCJB-ODLFYWEKSA-N 299.370 3.642 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCCc2ccsc2)C1 839056104 ZJHYITTZNVZQSX-KBPBESRZSA-N 277.389 3.696 30 20 CHED CC1CCC(N(C(=O)C#Cc2ccccc2)C2CC2)CC1 747212221 YJHDSCBYYZIYIY-UHFFFAOYSA-N 281.399 3.608 30 20 CHED CCc1nocc1/C=C1\CCc2cc(F)ccc2C1=O 834430119 GPLVVMIDTKNQHC-YRNVUSSQSA-N 271.291 3.589 30 20 CHED C[C@H](CN1CCC[C@@H](CC#N)C1)c1cc(F)cc(F)c1 597176683 JGYBAHUCIOKDET-OLZOCXBDSA-N 278.346 3.694 30 20 CHED Cn1cccc1C/N=C/c1c(O)ccc2ccccc12 743501587 OAMKQFCMLOZBNX-LDADJPATSA-N 264.328 3.503 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc2c(c1)COC2 742436247 HXRFPFOLDZQXOB-CMDGGOBGSA-N 280.323 3.622 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(C(F)F)cc1F 594001221 LKURFOIRMWJYSD-OAHLLOKOSA-N 298.308 3.821 30 20 CHED CC(C)CN(CCC#N)Cc1c(O)ccc2ccccc12 919944551 JDKRXKUTCNXWBA-UHFFFAOYSA-N 282.387 3.917 30 20 CHED CC(=NNc1cccc(Br)c1)c1ccncc1 745987507 GJLOTQPDCRCCBU-UHFFFAOYSA-N 290.164 3.680 30 20 CHED CO[C@@H](C)CC(=O)Nc1cccc(C#Cc2cccs2)c1 749479241 CBDGHGAPIATXDP-ZDUSSCGKSA-N 299.395 3.511 30 20 CHED CCc1noc(C)c1C/N=C\c1cc(Cl)ccc1O 840705016 DMPDFVRULKHGIL-APSNUPSMSA-N 278.739 3.524 30 20 CHED C[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@@H](c2ccccc2)O1 595294421 MOXLIAWWSFSYDB-MNEFBYGVSA-N 292.382 3.713 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCCC[C@@H]1C 747061903 PPOVHQOYCXXVDG-JTQLQIEISA-N 261.325 3.881 30 20 CHED CSCC1(CC(=O)O[C@H](C#N)C2CCCCC2)CC1 845348751 USZBYSHVTOTWLY-CYBMUJFWSA-N 281.421 3.535 30 20 CHED C=C(C)CNC(=S)N(CCC)[C@H]1CCc2ccccc21 745678933 LKJWYFCCLKHHKN-INIZCTEOSA-N 288.460 3.837 30 20 CHED Cc1cc(SCc2ccn(C(C)C)n2)ccc1C#N 592355471 GFFADVVNFBYFPE-UHFFFAOYSA-N 271.389 3.936 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2nc3ccccc3n2C)o1 915967155 DAPQLMCHMMBSLY-WCQYABFASA-N 294.358 3.736 30 20 CHED CCCCCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1 919222331 YCHDJTCFYPVOCM-AWEZNQCLSA-N 291.391 3.917 30 20 CHED CCC(=NNc1cccc2cnccc12)C1CCOCC1 745203125 FJARWOALGDPDJY-UHFFFAOYSA-N 283.375 3.839 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)C1CCOCC1 746415098 YBGDVUOZCXWYFX-HNNXBMFYSA-N 298.471 3.803 30 20 CHED CCCCCCCC(=O)NCCc1cc(F)cc(F)c1 748687502 FDOGTSMNLWNRNT-UHFFFAOYSA-N 283.362 3.984 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1ccccc1C 745625239 URXYGDMKLMGPNO-UHFFFAOYSA-N 282.347 3.814 30 20 CHED CCC(=NNc1ccccc1C(F)(F)F)c1cnn(C)c1 741809600 BQRXTFVPBHMZAM-UHFFFAOYSA-N 296.296 3.665 30 20 CHED N#CC1CCC(CNCc2ccc(F)c(F)c2F)CC1 594937567 QYJITPBCFNLLSN-UHFFFAOYSA-N 282.309 3.523 30 20 CHED C/C=C(/CC)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842944362 JNRXXBKMWGAUIO-QSADENFPSA-N 260.362 3.553 30 20 CHED Cc1ncsc1/C=C1/Cc2c(F)ccc(F)c2C1=O 749589117 HRVKJQCEFQPXBT-YVMONPNESA-N 277.295 3.552 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCCCCC 915881356 SMYSHOSTYLADQB-UHFFFAOYSA-N 274.408 3.965 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCCC(F)(F)CC2)c1 599793173 NYTYYRFDNKPNJN-UHFFFAOYSA-N 293.317 3.520 30 20 CHED CCC[C@H](NC(=O)CC1(C#N)CCCCC1)C1CCC1 597762505 AAVSYPPXKXRAMM-HNNXBMFYSA-N 276.424 3.936 30 20 CHED C=CCN(C)C(=O)c1ccccc1SCc1ccco1 681674904 WGKPKCVQZROHGD-UHFFFAOYSA-N 287.384 3.830 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(NC)s2)n1 843235522 QCIBRDKAQQKGAI-UHFFFAOYSA-N 263.366 3.694 30 20 CHED C#CC[C@@H](NC(=O)N(CCC)C(C)C)c1ccccc1 847343007 PILMYLROVNNAQW-MRXNPFEDSA-N 272.392 3.581 30 20 CHED N#CCC1(CNc2ccc(OCC(F)(F)F)cc2)CC1 846756370 SONGEIMRTPMKKX-UHFFFAOYSA-N 284.281 3.733 30 20 CHED C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)C[C@H]1C 590748472 AUVRFPIOKHFAJB-GQGSAGHOSA-N 296.414 3.734 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)N2CCC(CCC#N)CC2)[C@H](C)C1 591936932 LPZADLAGHQCPAK-IIAWOOMASA-N 291.439 3.536 30 20 CHED C#CCN(C(=O)NC[C@@H]1CCCC[C@@H]1C)C1CCCCC1 744857146 HTPRHXZOIVDLRT-HOTGVXAUSA-N 290.451 3.790 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)C2CCCCC2)cc1F 849243000 DLRZYPNMJCFVEN-CLFYSBASSA-N 276.307 3.687 30 20 CHED Cc1cccc(/C=C2\Cc3c(F)cccc3C2=O)c1 921263526 FMXXTDKTCJYFCU-UKTHLTGXSA-N 252.288 3.957 30 20 CHED CC[C@H](C#N)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 845284951 FMFWXMXQYIRLMH-MCIONIFRSA-N 264.413 3.505 30 20 CHED Clc1ccc(NN=Cc2nccc3ccccc23)cn1 743449763 AXDXWKNMSKCLSH-UHFFFAOYSA-N 282.734 3.729 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/CCc2ccc(F)cc2C1=O 849250620 VQWVBELZGKBBRY-JYRVWZFOSA-N 296.345 3.649 30 20 CHED Cc1cccc2c1C/C(=C/c1ccnn1CC(C)C)C2=O 843270507 VZAKXNLPGCMZGM-ZROIWOOFSA-N 280.371 3.670 30 20 CHED CCC(CC)(C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 928222464 WCBQNDCZMZVNNX-HNNXBMFYSA-N 284.403 3.507 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)/C=C/c1ccccc1C#N 757824285 HKQNNWYBHZHYGT-DOJUMQAQSA-N 296.414 3.999 30 20 CHED C#CCOCCC(=O)O[C@H](CC)c1c(F)cccc1Cl 756581296 VRDHQZNABOVPFO-CYBMUJFWSA-N 298.741 3.513 30 20 CHED C[C@@H](C=NNc1nc2ccccc2[nH]1)c1ccc(F)cc1 756869946 CGRFTNOYRZQTAD-NSHDSACASA-N 282.322 3.903 30 20 CHED C=C[C@H](OC(=O)C[C@@H](C)n1nc(C)cc1C)c1ccccc1 851453149 NSQBVAGQDJDKEE-WBVHZDCISA-N 298.386 3.922 30 20 CHED CCCn1nccc1/C=C1/COc2c(C)cc(C)cc2C1=O 853005485 QYLGHRDKOZIWSM-UVTDQMKNSA-N 296.370 3.569 30 20 CHED CCOc1ccc(/C=C2/Cc3c(OC)cccc3C2=O)cc1 759664703 LUBXVRINYJKZSB-KAMYIIQDSA-N 294.350 3.916 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(Cl)cs2)c1 758281763 BPECUNCDBAAILS-UHFFFAOYSA-N 275.760 3.659 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc(-c2ccccc2)no1 925532665 UDZVZCFBBKISMG-AWEZNQCLSA-N 286.375 3.585 30 20 CHED C#Cc1ccc(C(=O)OCc2cc3ccccc3s2)nc1 754811121 WDOZXDSNNUTQFX-UHFFFAOYSA-N 293.347 3.635 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)CCC3CCC3)[nH]c12 750712056 JIWACEQFSWCSAS-ZDUSSCGKSA-N 281.359 3.628 30 20 CHED N#C[C@@H](C(=O)CCC1CCC1)c1ccc2ccccc2n1 750682715 LNTILIJOAILPRB-OAHLLOKOSA-N 278.355 3.991 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(-c2ccccc2Cl)o1 754358424 ZLDZZWNZTBEAHA-LLVKDONJSA-N 287.746 3.742 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccc([N+](=O)[O-])cc1 759074062 RZCPABRSLSVARX-AATRIKPKSA-N 294.719 3.601 30 20 CHED Cc1cc(F)cc(C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851209306 KJARVNREUSGLFU-NSHDSACASA-N 263.312 3.619 30 20 CHED CCC[C@@H](C(=O)O[C@@H](C)C#N)c1cccc(Cl)c1 859803928 JIGQDAKEUROLOX-GXFFZTMASA-N 265.740 3.679 30 20 CHED C=CCCNC(=O)N1CCc2cc(-c3ccccc3)oc2C1 852486902 GZJAJQZBYHIXPZ-UHFFFAOYSA-N 296.370 3.590 30 20 CHED C=C[C@@H](CC)CC(=O)N(CCC)Cc1ccccc1O 934707117 XSHCIUBGZXGIDP-AWEZNQCLSA-N 275.392 3.733 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](C#N)CC(C)C 931574403 WNIWUCSGCHLZOT-GFCCVEGCSA-N 276.380 3.554 30 20 CHED CCCCCCCCc1nc([C@H]2CCCN2C(C)=O)no1 867072489 FJSAYPQJUFCUTJ-CQSZACIVSA-N 293.411 3.656 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)C(CC)CC)c1 761669017 IRWZHAJSIZHWKT-CYBMUJFWSA-N 257.377 3.703 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sc2cc(C)ccc2c1Cl 767252595 DSRARIFAQDBFPU-SNVBAGLBSA-N 291.803 3.957 30 20 CHED C#CCCOc1ccc(CN(C)Cc2cccs2)cc1 768159366 CAJDLPCYVSGJHL-UHFFFAOYSA-N 285.412 3.782 30 20 CHED FC(F)(F)CNN=Cc1c(Cl)oc2ccccc12 769815864 TWBOGDVLCGXXJQ-UHFFFAOYSA-N 276.645 3.572 30 20 CHED CCCCCCC[C@@H](C)N[C@H]1CCc2nc(C)ncc2C1 768515924 PYOFITICZBHIQB-PBHICJAKSA-N 289.467 3.981 30 20 CHED CCc1ccc(/C=C2\CCc3scnc3C2=O)s1 863196744 UBMNVUODRCJNOH-VQHVLOKHSA-N 275.398 3.980 30 20 CHED C[C@@H]1CCCC[C@H]1OCC(=O)OCCCCC(C)(C)C#N 768698259 OQBKILMVHOKFMW-HUUCEWRRSA-N 295.423 3.845 30 20 CHED COc1ccc(NN=C[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 767804276 YPTLJCPIXIDPNX-GFCCVEGCSA-N 299.330 3.805 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(O)cc1F 769828350 SDROKOVYVGGPOK-UHFFFAOYSA-N 276.286 3.815 30 20 CHED C#CCCCCCc1nc(-c2cc(C)cc(F)c2)no1 761594971 RWOHLIGHUPANMU-UHFFFAOYSA-N 272.323 3.920 30 20 CHED CCc1cnccc1C(C)=NNCCCc1ccccc1 765575069 FYXCYKIGQMSXSZ-UHFFFAOYSA-N 281.403 3.590 30 20 CHED CCN(C(=O)CCc1cccc2ccccc12)[C@H](C)C#N 869284568 GUHLLRATSSUTLF-CQSZACIVSA-N 280.371 3.533 30 20 CHED Fc1ccc(CC=NNc2cncc(Cl)n2)c(Cl)c1 766432831 CCKUHJZZULMOLC-UHFFFAOYSA-N 299.136 3.563 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1cccc(F)c1 768374777 KNMRPQLHCZVGAN-UHFFFAOYSA-N 288.713 3.582 30 20 CHED CC[C@@H](C)NN=Cc1csc(Cl)c1Cl 761832178 XFQXJVFDWDROPN-ZCFIWIBFSA-N 251.182 3.777 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cnc(C)nc1C 769829201 FAJKJMSPDYKRJQ-UHFFFAOYSA-N 292.745 3.722 30 20 CHED C[C@H](C#N)CNN=C(CC(C)(C)C)c1ccc(F)cc1 771105229 YMMXQHABFHOHHS-GFCCVEGCSA-N 275.371 3.715 30 20 CHED C[C@@H](Cc1ccccc1Cl)NCC(C)(C)CC#N 1117868701 QOCKPEHKVMNHPC-LBPRGKRZSA-N 264.800 3.800 30 20 CHED C=CC[C@@H](NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccncc1 779944948 UEPZGWFQNNNPMY-YQFWSFKMSA-N 286.419 3.887 30 20 CHED COc1ccc(Cl)cc1C=NOCCC(F)(F)F 777460777 QVFAUMRGTIKJMI-UHFFFAOYSA-N 281.661 3.652 30 20 CHED C#CCCCN[C@H](COc1ccccc1F)c1ccccc1 775181514 ROXXDEKIMOMVDO-GOSISDBHSA-N 297.373 3.949 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)cc1F 776725778 FPBAMJLEXXLAFY-DAFODLJHSA-N 287.240 3.872 30 20 CHED C=CCc1cc(CN[C@H](C)CC2CC2)cc(OC)c1OC 772948580 XBHJJPUSMVTPEZ-CYBMUJFWSA-N 289.419 3.711 30 20 CHED Fc1cc(F)c(C=NNc2cc(Cl)ccn2)cc1F 777907096 MLCFWFOFTKNSHF-UHFFFAOYSA-N 285.656 3.598 30 20 CHED CCN(C(=O)C#Cc1ccccc1)[C@H](C)Cc1ccsc1 778224016 DGJQJFVSFMONIF-OAHLLOKOSA-N 297.423 3.579 30 20 CHED CSc1ccncc1NCc1ccc(O[C@H](C)C#N)cc1 772949472 DQWAFYTZZUADMO-GFCCVEGCSA-N 299.399 3.706 30 20 CHED C=C(CC)C(=O)N[C@@H](CC)c1ccccc1OCC 1123547575 YETKRYIISUMNGO-AWEZNQCLSA-N 261.365 3.619 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 785599109 UTWDYXMAQJFKEI-CXAGYDPISA-N 274.408 3.532 30 20 CHED C[C@H](C(=O)O[C@H](CC#N)c1ccco1)c1ccccc1F 1123464390 ZLJHIFLAHWWKLN-XHDPSFHLSA-N 287.290 3.720 30 20 CHED C#CCC1(C(=O)O[C@@H](C)c2cccnc2)CCCCC1 788216181 MUHZXUCFLBWSSG-AWEZNQCLSA-N 271.360 3.660 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 1129070740 BVPZSQQCRFBPRU-TYNCELHUSA-N 298.386 3.772 30 20 CHED C#CCC1(C(=O)NCCCCCCSC)CCCCC1 788245789 LHEGAZMECBCMSU-UHFFFAOYSA-N 295.492 4.000 30 20 CHED COc1cc(C(=O)O)ccc1NN=C[C@@H]1CCCC[C@H]1C 783863735 RFSPWQPJVIGPNG-YPMHNXCESA-N 290.363 3.617 30 20 CHED C=C(Br)CNC(=O)CCCC[C@H](C)CC 784632281 ZCSZUROGQVBLJB-SNVBAGLBSA-N 276.218 3.618 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1F)c1cscn1 782206146 HBCKLXNMPZZPAX-RQOWECAXSA-N 267.712 3.832 30 20 CHED O=C1/C(=C/C=C\c2ccc(F)cc2)Cc2cc(O)ccc21 780188944 SAOSGRSVKJRONL-QOIGIYGRSA-N 280.298 3.910 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCC=CO1 780149904 POFVEEZIVLHESH-JRUYLCMPSA-N 286.158 3.811 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCc3ccc(F)cc32)CCCCC1 788205460 SHCKXKNNACOGDM-QGZVFWFLSA-N 299.389 3.903 30 20 CHED Cc1ccc(OCC2(CC#N)CC2)cc1Br 394782592 HXXBDEBFPZTUHU-UHFFFAOYSA-N 280.165 3.830 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc2cccc(Cl)c2o1 787077490 GLQHIICTPDMCPN-SNVBAGLBSA-N 277.707 3.935 30 20 CHED Cc1ccc2cc(C=NNCc3ccccc3)ccc2n1 783510095 UWMALYYTPIPKKI-UHFFFAOYSA-N 275.355 3.667 30 20 CHED C#C[C@@H](NC1CC(c2ccc(F)cc2)C1)C(C)(C)C 702280958 JIWSQASLTPXDGF-AVVWSFFYSA-N 259.368 3.709 30 20 CHED CCCc1nc(C)c(C(=O)O[C@H](C#N)C2CCCCC2)o1 796536667 HHGKOCRYNXVMHW-CYBMUJFWSA-N 290.363 3.565 30 20 CHED COc1ccccc1CON=Cc1cc(F)c(F)cc1F 799118780 URYQPJLOQLKHJW-UHFFFAOYSA-N 295.260 3.663 30 20 CHED CC[C@@H](C)NN=Cc1ccc(Cl)c(Br)c1 790182132 ITVAVXIAJRDYBL-MRVPVSSYSA-N 289.604 3.825 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1cccc(F)n1)CCO2 795006369 GOVFRMOXNRNCAP-UHFFFAOYSA-N 299.349 3.943 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCN2CCCC[C@H]12 793521612 CXBACIPXIXNEMH-GVDBMIGSSA-N 264.457 3.728 30 20 CHED CC(C)(C)OCCCC(=O)N[C@@](C)(C#N)C1CCCCC1 796482016 JNZIQSINJAFEBE-KRWDZBQOSA-N 294.439 3.560 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)C1 796823326 XKFHAYCKXYGHJF-DOMZBBRYSA-N 271.360 3.833 30 20 CHED C=CCSCCN[C@@H](C)CCc1ccc(OC)cc1 134119906 IOMHYDPGCNSLHN-AWEZNQCLSA-N 279.449 3.525 30 20 CHED CCCCCCCN1CC[C@@H](c2ccccc2)S1(=O)=O 793856390 MKGIYKXZZOHBJU-INIZCTEOSA-N 295.448 3.734 30 20 CHED C=C(CC)COC(=O)C1CC(c2ccc(F)cc2)C1 796092629 GROPKWTVKRGRAL-UHFFFAOYSA-N 262.324 3.829 30 20 CHED FCC[C@@H]1CCCC1=NNc1nc(-c2ccccc2)no1 794906675 WTNHCDLPACLSCO-NSHDSACASA-N 288.326 3.664 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(CC2CCC2)CC2CC2)cc1 793388635 HLVIWRIKRYAMRV-HNNXBMFYSA-N 298.430 3.990 30 20 CHED COCC[C@H]1CCCC1=NNc1cccc([N+](=O)[O-])c1C 799879303 XQWPPSKSQCPFLM-GFCCVEGCSA-N 291.351 3.508 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCC12CCC2 799877433 ABKNJBUBBCRSJG-UHFFFAOYSA-N 259.309 3.635 30 20 CHED CCC(=NOCCSC)c1ccc(Cl)cc1 794572817 YKQJFWWINOVKCH-UHFFFAOYSA-N 257.786 3.834 30 20 CHED C#C[C@H](CC)OC(=O)c1sc2ccc(C#N)cc2c1C 797091386 RWKOBHPRPFQOQQ-GFCCVEGCSA-N 283.352 3.650 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H](C)c1cc(F)ccc1F 797887666 PVEILZMLYHCEPF-QMMMGPOBSA-N 291.253 3.656 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(C3CC3)cc2)C1 590959825 PNFUDXKCHSWBFF-QGZVFWFLSA-N 254.377 3.690 30 20 CHED CCN(Cc1ccc(C#N)cc1Cl)[C@H](C)C(F)(F)F 1307967804 KZQUIUXLSHTNGZ-SECBINFHSA-N 290.716 3.984 30 20 CHED Cc1nc(C#N)cc(NCC[C@H]2C[C@H](C)CC(C)(C)C2)n1 1163190633 BMRQCXKDMJLGAU-JSGCOSHPSA-N 286.423 3.921 30 20 CHED CCc1ccc(CCN2CCc3ccc(C#N)cc32)cc1 1168925529 QOAZMSSDDXSJRY-UHFFFAOYSA-N 276.383 3.726 30 20 CHED C=CCN(Cc1cc(C)[nH]n1)Cc1ccc(Cl)s1 1319797386 CZJJGNQNBZPIRN-UHFFFAOYSA-N 281.812 3.621 30 20 CHED CC[C@@H](C)Oc1cc(Sc2cccc(C#N)c2)nc(C)n1 1162726065 WDOABKUSZQFZQC-LLVKDONJSA-N 299.399 3.985 30 20 CHED CC(Cc1ccccc1Cl)=NNc1ncccc1F 1321817937 DQFBPGPSMARSPI-UHFFFAOYSA-N 277.730 3.905 30 20 CHED Cc1ccc(CC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 1330306277 XQINVOWFAPCDSE-MOPGFXCFSA-N 282.431 3.942 30 20 CHED Cc1ccc2oc(C(=O)N[C@H](C#N)C3CCCC3)cc2c1 1333697862 JTQLQBDHCXCVNN-CQSZACIVSA-N 282.343 3.553 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1cccc(Cl)c1F 1339393290 QTRQCYUNGKXWHZ-GFCCVEGCSA-N 296.773 3.729 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(Cl)c1F 1343382889 KHBOBTUUYHLCGS-AWEZNQCLSA-N 269.747 3.698 30 20 CHED CC(C)(C)c1ccc(OCc2nnc(C(C)(C)C#N)o2)cc1 1345706540 NQTSCNJXQCJSEI-UHFFFAOYSA-N 299.374 3.747 30 20 CHED C=C(C)CCC(=O)N(C)[C@H](C)c1ccc(OC)cc1 1346502287 VINXNZWROAIWNK-CYBMUJFWSA-N 261.365 3.571 30 20 CHED C[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(OCC#N)cc1 221980195 XPNIQSSYYVRMBG-WDEREUQCSA-N 286.297 3.580 30 20 CHED CC[C@@H](O)c1ccc(OCc2ccc(C#N)s2)cc1 1353920711 BLRSEEWOJARQGJ-OAHLLOKOSA-N 273.357 3.642 30 20 CHED C[C@@H](Nc1cncc(C#N)n1)c1cccc(Cl)c1Cl 1458205814 XIFKISFEMCNHKY-MRVPVSSYSA-N 293.157 3.828 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(-c2ccncc2)c(C)c1 1298666685 ZIPFDLKCNVFMBF-CYBMUJFWSA-N 279.343 3.545 30 20 CHED N#Cc1cc(Cl)ccc1SC[C@H]1CCCCO1 1458971310 VCHGCJYPBSFWBA-GFCCVEGCSA-N 267.781 3.873 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(CC)CCC1CC1 1539772180 FJYISMIRVGWQDU-UHFFFAOYSA-N 296.846 3.780 30 20 CHED CC(/C=C\C(=O)c1cc(C(=O)O)co1)=C\c1ccccc1 1609725716 NQZFJBMUGLCPGN-HVTAIUIQSA-N 282.295 3.820 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)CCCc1ccccc1 1538757331 KOHJXPDGKYQWCO-DOTOQJQBSA-N 286.419 3.796 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1c1ccc(Cl)c(C#N)n1 1612378519 SWWVNUXTLAVVIS-NHYWBVRUSA-N 277.799 3.723 30 20 CHED C=C(Cl)CN[C@@H](CN1CCCCC1)c1ccccc1 1559742260 IGTXTOIIABDNFH-INIZCTEOSA-N 278.827 3.556 30 20 CHED C[C@@H]1CCCc2ccccc2[C@H]1N=c1cc[nH]c(C#N)c1 1642545143 GTFFCQBGBOHSOF-ACJLOTCBSA-N 277.371 3.501 30 20 CHED Cc1ccc([C@H](C)CN(CCC#N)CC(C)C)cc1 1657582143 DAGXAAGHJVUKJP-MRXNPFEDSA-N 258.409 3.970 30 20 CHED N#Cc1ccc(CNCc2cc3cnccc3o2)cc1Cl 1657240609 NIKROBGKEBBJJP-UHFFFAOYSA-N 297.745 3.643 30 20 CHED N#Cc1cc(SCc2cccc(OC(F)F)c2)ccn1 1655195945 WLLGZDGDNYDWHF-UHFFFAOYSA-N 292.310 3.847 30 20 CHED N#Cc1ccc2c(c1)N(c1nc(C3CCCC3)ns1)CC2 1655346167 KIYKYHXEKMSHRK-UHFFFAOYSA-N 296.399 3.762 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1Nc1nc(C#N)c(Cl)s1 1655644542 WRRSDDZMQJIDML-WDEREUQCSA-N 289.791 3.945 30 20 CHED CC(CC(C)(C)CC(=O)O)=NNc1cccc(F)c1 1592443764 DFOOBLIURZONNG-UHFFFAOYSA-N 266.316 3.505 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc(C#N)ccc1F 1672121227 GXTVKHJJCZQABU-MNOVXSKESA-N 277.343 3.644 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2sccc2C#N)c1 1673279519 XBRGNBKIFSBTLX-UHFFFAOYSA-N 285.372 3.592 30 20 CHED CC[C@H](NN=C1CCCC[C@H]1C1CCCCC1)C(=O)O 1776066202 TVVCVZGSCXBMHS-KBPBESRZSA-N 280.412 3.566 30 20 CHED CCC(=NNc1ccccc1C(=O)O)[C@@H]1CC1(C)C 1776030649 BCSTYWCLZRKSMY-NSHDSACASA-N 260.337 3.609 30 20 CHED C=CCN(CC1CCCCC1)[C@@H]1CC[C@H](CC(=O)O)C1 1776177532 WPKMOHNAFJZUOF-JKSUJKDBSA-N 279.424 3.698 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC)c1ccccc1OC(F)F 153895709 WNQCVRUWXKGVGO-LBPRGKRZSA-N 298.333 3.567 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccc(CO)cc2)cc1 155870680 FRMVLZGWALNPTG-UHFFFAOYSA-N 297.354 3.876 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OC2CCCC2)cc1 156442137 LLMKOEFPYMIGML-UHFFFAOYSA-N 274.364 3.658 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C(C)(C)C)cc1 136165858 OAQDZFXUZROTJW-INIZCTEOSA-N 258.365 3.862 30 20 CHED CCN(CC1CC(C)C1)[C@@H](C)c1ccc(C#N)cc1 1190476553 WFDDYPIXDFLAET-BBBYJDLNSA-N 256.393 3.987 30 20 CHED CC(C)(CCC#N)CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 253028352 PDRODDFPDWEVFN-DGADGQDISA-N 260.425 3.731 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1ccccc1F 168757869 HPVNFKKFCHEYON-KRWDZBQOSA-N 268.335 3.938 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cccc(NC(C)=O)c1 281706671 TUGVYUXNCXEZGO-IUODEOHRSA-N 260.381 3.650 30 20 CHED N#Cc1cccc(COc2cc(Cl)ccc2[N+](=O)[O-])c1 49918383 KGSWOKKLSOMDKV-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)C2(C#N)CCCC2)CC1 186114866 OORBJZJIDOSCNS-LSDHHAIUSA-N 276.424 3.791 30 20 CHED C[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)[C@@H]1C 301624447 FYLWULSOZSANLP-VHSXEESVSA-N 268.282 3.812 30 20 CHED C=CCCC[C@H](C)Nc1ccc(C(F)(F)F)nn1 302004273 KDSNKLIPZVGOBG-VIFPVBQESA-N 259.275 3.652 30 20 CHED C[C@H]1CCN(c2ccc(Br)cc2C#N)[C@H]1C 302092067 PZRLHHLZUKORNN-UWVGGRQHSA-N 279.181 3.555 30 20 CHED CC(C)(C#N)CCOc1cc(Br)ccc1C#N 308147881 LFZKUSXKMRLYPF-UHFFFAOYSA-N 293.164 3.639 30 20 CHED C=C(CC)CN[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 313501941 KRGVYZLSFDKUFZ-HUUCEWRRSA-N 296.455 3.626 30 20 CHED CC(C)(C)C1CC(C(=O)N2CCC(CCC#N)CC2)C1 572485967 IBOYNGBEUHQGAO-UHFFFAOYSA-N 276.424 3.601 30 20 CHED Cc1nc(N[C@H](C)c2cccc(O)c2)c(Cl)cc1C#N 359909163 YLHUWYRUMLMPRK-SECBINFHSA-N 287.750 3.794 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C2CC2)cc1 599731391 DOXRHANYHCNASC-UHFFFAOYSA-N 256.349 3.832 30 20 CHED CCC(C#N)(CC)C(=O)N(C)[C@@H](C)c1ccccc1 383595841 XIDUBDCRRILGOV-ZDUSSCGKSA-N 258.365 3.536 30 20 CHED C=CC(C)(C)CNC[C@@H](O)c1ccc(C(F)(F)F)cc1 384909748 DCOAHBCNQCFKLG-CYBMUJFWSA-N 287.325 3.541 30 20 CHED CCC(CC)(CC)CNCc1cccc(OCC#N)c1 391148760 NFAWAGXFSBXCSJ-UHFFFAOYSA-N 274.408 3.895 30 20 CHED C=CCCOC(=O)c1sc(-c2cccs2)nc1C 729073385 VXFDGEKAJUWQCZ-UHFFFAOYSA-N 279.386 3.913 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 399080875 POQGGUXYSFGPFG-OAHLLOKOSA-N 264.372 3.912 30 20 CHED N#Cc1ccc(C[S@@](=O)c2ccc(Cl)cc2)cc1 137990 CXKDWXBJGHKKNK-SFHVURJKSA-N 275.760 3.519 30 20 CHED CCCCCCCC(=O)Oc1ccccc1OC 104983105 VRIGPZZVQHAMOT-UHFFFAOYSA-N 250.338 3.961 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)NCC)cc1 100321288 FVJOOVKPENZLOD-UHFFFAOYSA-N 290.407 3.735 30 20 CHED CCOc1ccccc1[C@H](CC)NCCCSCC#N 179754789 OZSMNXVRGQBJBW-HNNXBMFYSA-N 292.448 3.773 30 20 CHED C=C(C)CN1CCC(NCc2cccc3ccccc23)CC1 106245988 LHVHDRPRXINJKW-UHFFFAOYSA-N 294.442 3.970 30 20 CHED C=CCOc1ccc(OC(=O)C[C@@H]2C=CCC2)cc1 173520819 FANSCIMDFOKWAF-CYBMUJFWSA-N 258.317 3.513 30 20 CHED CC[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C(C)C 105754161 JYJFVGZFNCDWQD-QWHCGFSZSA-N 283.375 3.811 30 20 CHED CC(C)(C)[C@H](NC(=O)N1CCC(C#N)CC1)c1ccccc1 105138762 UOFYCOWOZYYOBY-MRXNPFEDSA-N 299.418 3.719 30 20 CHED N#CCC1(COC(=O)Cc2ccc3ccccc3c2)CC1 174742787 RYKRCUBCMQTCIW-UHFFFAOYSA-N 279.339 3.619 30 20 CHED CC(C)COc1ccccc1CNCc1ccc(C#N)cc1 60526923 FJCYTFGUXHJMNK-UHFFFAOYSA-N 294.398 3.883 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C)nc1 112184019 QMCGUSROFZCKLN-UHFFFAOYSA-N 272.392 3.599 30 20 CHED Cc1ccc(-c2n[nH]cc2CNc2cccc(C#N)c2)cc1 179550978 SVPAZLKMQSAOMK-UHFFFAOYSA-N 288.354 3.869 30 20 CHED C#CCCCCC(=O)Nc1ccc(N2CCCC2)c(C)c1 119535755 IRHSBNFQDXOCOH-UHFFFAOYSA-N 284.403 3.727 30 20 CHED C=CCC(CC=C)C(=O)N(CC)Cc1cccs1 176896108 BSCIHPKPLVPWHQ-UHFFFAOYSA-N 263.406 3.865 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCC(C)C 60440659 PUTAWTGNJRNAFZ-UHFFFAOYSA-N 295.766 3.952 30 20 CHED C=C(C)CNCc1cc2ccccc2nc1N1CCCCC1 119627871 CVJPSALXNJVJDC-UHFFFAOYSA-N 295.430 3.891 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)c1cccc(OC(F)F)c1 301502845 HFODBGRJIYCWPL-JTQLQIEISA-N 289.285 3.728 30 20 CHED C#CCCCN[C@@H](C)c1sc(C(C)(C)C)nc1C 178059495 SJWPUHWOQXQGNK-NSHDSACASA-N 264.438 3.813 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(Cl)cc1F 178626733 VPHAHQMFAVTUCM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCC(=O)NC[C@H](CC)Oc1ccccc1Cl 177377447 QBYVTXFHAQGQJV-LBPRGKRZSA-N 281.783 3.580 30 20 CHED CC[C@@H](CNc1ncccc1C#N)Oc1cccc(C)c1 301572421 RPZOFFZUXLZUIQ-HNNXBMFYSA-N 281.359 3.531 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66788852 RGGHYXLPYJUILB-SJCJKPOMSA-N 292.338 3.945 30 20 CHED C#CCCCNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 176940187 VEPYVIPGKJCMKL-OAHLLOKOSA-N 277.795 3.609 30 20 CHED CCCCCC[C@@H](C)C(=O)NCc1ccc(C#N)cc1 172751594 HKXYDEVRBQYHMP-CQSZACIVSA-N 272.392 3.781 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 408405760 KKDNMTFJDZTYFF-MGPQQGTHSA-N 286.375 3.548 30 20 CHED N#Cc1cccc(N2CCC[C@H]2Cc2ccccc2Cl)n1 301524290 IGKKVUNHLPYMPQ-HNNXBMFYSA-N 297.789 3.818 30 20 CHED N#Cc1ccc(OC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 121049230 SRAWFJMSHVCLJM-NEPJUHHUSA-N 297.276 3.832 30 20 CHED C=CCC[C@@H](C(=O)NC[C@H](C)SC)c1ccccc1 188765774 MRXSZVHIZQEEEE-DZGCQCFKSA-N 277.433 3.604 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 127170183 PKNXFODCIDAXFV-OUJBWJOFSA-N 296.773 3.599 30 20 CHED C=C(Br)CNCCCCCOc1ccccc1 187865177 WZLDZINFTCVYRN-UHFFFAOYSA-N 298.224 3.734 30 20 CHED C=CCCCN(C)[C@H](C)c1sc(CC)nc1C 122159122 FZDXJGHOQUHMQW-GFCCVEGCSA-N 252.427 3.973 30 20 CHED N#Cc1cc(F)c(NCCCNc2ccccc2)c(F)c1 302745911 SDZZVCGWTHSKKO-UHFFFAOYSA-N 287.313 3.751 30 20 CHED CC#CCCCC(=O)N[C@H]1CC(C)(C)c2ccccc21 185900858 GGOQYUWSETZYBO-INIZCTEOSA-N 269.388 3.719 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(F)c1 189346669 SKAGGKFLBYQYNK-CYBMUJFWSA-N 268.335 3.890 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C/c1cccs1)C2 35905481 JDCHCGAKJDHSQL-YRNVUSSQSA-N 286.352 3.588 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(NC(C)=O)cc2)c1 180444930 GFTMULZRERFAMO-IZZDOVSWSA-N 295.338 3.550 30 20 CHED C[C@H](/N=C/c1c(O)ccc2ccccc12)C1CCOCC1 122898757 QCKZFCQPGYTEQZ-HCZVKUGISA-N 283.371 3.779 30 20 CHED C=C(C)[C@@H](N[C@H](C)CCOC)c1ccc(F)c(F)c1 186449137 RQSKKSKEYNTNET-IAQYHMDHSA-N 269.335 3.597 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)C1(C)CCCCCC1 180435825 FOFJYURGNWXCDC-UHFFFAOYSA-N 284.403 3.877 30 20 CHED COC[C@@H](C#N)Nc1cccc(COc2ccccc2)c1C 181337647 GKPXSOVYXDJCEX-MRXNPFEDSA-N 296.370 3.525 30 20 CHED N#Cc1ccnc(SCCOc2cccc(Cl)c2)c1 71918227 AWJGZOZBVWYSPR-UHFFFAOYSA-N 290.775 3.778 30 20 CHED N#CC1(CNCc2ccc(-c3ccc(F)cc3)o2)CCC1 418143965 ROYQAKJQMBONEV-UHFFFAOYSA-N 284.334 3.869 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 508497837 NROGDWOPWNHUDS-KGLIPLIRSA-N 290.455 3.535 30 20 CHED COc1ccc2c(c1)C[C@H](Nc1cccc(CC#N)c1)CC2 313411052 PBTHMBAFJIWFDA-GOSISDBHSA-N 292.382 3.731 30 20 CHED C=CCOCCSC[C@@H]1CCC2(CCCCC2)O1 419465881 PVXMTCVZJJTMME-AWEZNQCLSA-N 270.438 3.804 30 20 CHED N#Cc1ccc(OCCCOCc2ccccc2)c(F)c1 183266765 KLKVIMPVKZCMPL-UHFFFAOYSA-N 285.318 3.683 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1ccc(O)cc1 212533150 ZDCDNAICEKQHNV-HJWRWDBZSA-N 260.239 3.567 30 20 CHED CC[C@H](Nc1ncccc1C#N)c1cc(F)ccc1F 77232997 HHKKSGFHTNMOKF-AWEZNQCLSA-N 273.286 3.795 30 20 CHED C[C@@H](C#N)CN(C)C[C@H](C)c1cccc(Br)c1 509782658 MHXFZWSGMWJMRU-RYUDHWBXSA-N 295.224 3.644 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccnn1C(C)C 43450885 WMAPSWNWKFOZQU-UHFFFAOYSA-N 298.390 3.684 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)CC 413823629 MVSYOCJKHXSZIE-GDBMZVCRSA-N 274.408 3.614 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(F)c(F)c1C)OCC 412967487 XBLWZTUNJTXZHK-CYBMUJFWSA-N 283.318 3.583 30 20 CHED Cc1cccc2c(CCC(=O)OCC(C)(C)CC#N)c[nH]c12 184792670 GQYPVDCVKVEOQN-UHFFFAOYSA-N 298.386 3.892 30 20 CHED C[C@@H]1CCC[C@@H](/N=C(/O)c2cc3nc[nH]c3cc2F)C1 329313275 QANNSTSCWJDHHS-NXEZZACHSA-N 275.327 3.585 30 20 CHED Cc1cnc(N/C(O)=N/[C@H]2CCCCC23CCCC3)o1 329573785 AKXSOYPTOGKNEM-LBPRGKRZSA-N 277.368 3.812 30 20 CHED C=C[C@H](CC(=O)N(C)c1nc(C)cs1)c1ccccc1 132918229 JPUJRJWNLFKIBO-CYBMUJFWSA-N 286.400 3.774 30 20 CHED CC(C)c1scnc1N/C(O)=N/CC1CCCC1 329498415 FJEIYANACJCEBQ-UHFFFAOYSA-N 267.398 3.783 30 20 CHED CC(=O)c1sccc1OCc1ccc(C#N)cc1C 193531705 WVQKWFDDHMMLKG-UHFFFAOYSA-N 271.341 3.710 30 20 CHED N#C[C@@H]1CCC[C@H](NCCOc2ccc3ccccc3c2)C1 192639207 QABQHGBDCASZHS-QAPCUYQASA-N 294.398 3.891 30 20 CHED C=C[C@@H](CC(=O)NCC(CC)CC)c1ccccc1 130321280 CENVQIMPBYHRMW-HNNXBMFYSA-N 259.393 3.899 30 20 CHED C=C[C@@H](CC(=O)NCC(C)(C)CC)c1ccccc1 192201478 ZUGWXTTUHDAVHM-AWEZNQCLSA-N 259.393 3.899 30 20 CHED OC1=N[C@@H](C(O)=Nc2ccc(F)c(C3CC3)c2)CCC1 328840306 YYSAQDXOYBNEGN-CYBMUJFWSA-N 276.311 3.800 30 20 CHED N#Cc1ccc(Sc2ncc(-c3ccc(F)cc3)o2)nc1 42848482 UDSBYVSUEKBGET-UHFFFAOYSA-N 297.314 3.899 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 192618294 BVIHCZUTZYAKST-HEHGZKQESA-N 280.371 3.638 30 20 CHED COc1cccc2c1CC/C(=C\c1cc(C#N)cs1)C2=O 194593753 FOCZNLAPZOGPGY-XYOKQWHBSA-N 295.363 3.841 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccccc2COC)cc1 44550950 MSIKNQNIPWESJT-UHFFFAOYSA-N 297.354 3.650 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2ccccc2C)SC1=S 48402657 UHPZNWRGRLPLRK-MDWZMJQESA-N 289.425 3.772 30 20 CHED C/C(=C\C(=O)Nc1ccc(C#N)cc1)c1ccccc1 40642995 LHQLWWQHJBABLO-ACCUITESSA-N 262.312 3.600 30 20 CHED CC[C@H]1C[C@@H](C(O)=Nc2cnc3ccccc3c2)CC(O)=N1 329723552 CUCHPHQUMINGNY-OLZOCXBDSA-N 297.358 3.968 30 20 CHED Cc1noc(C2CC2)c1N=C(O)c1ccc2c(c1)COC2 329687769 BWOLYIAMRRSWTR-UHFFFAOYSA-N 284.315 3.527 30 20 CHED Cc1cc(N[C@@H](C)C2CC2)n2c(nc3ccccc32)c1C#N 220297261 QXPGKGNVUPZIEN-LBPRGKRZSA-N 290.370 3.878 30 20 CHED CC(=O)c1ccc(O[C@H](C)c2ccc(C#N)cc2)cc1 194621774 VRTPMTCDEMARCZ-CYBMUJFWSA-N 265.312 3.901 30 20 CHED CCCC[C@@H](CC)/C(O)=N/S(=O)(=O)c1ccccc1 46708594 RCTOZOALBNHZNZ-GFCCVEGCSA-N 283.393 3.548 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1cccc(C#N)c1 137232710 RNJHUCZXLCOFAQ-PBHICJAKSA-N 299.418 3.668 30 20 CHED CCCCCCCN1CCN([C@@H](C)C(F)(F)F)CC1 178283768 HQIIKYWMIHNQHS-ZDUSSCGKSA-N 280.378 3.525 30 20 CHED CN(C)c1ccccc1NC1CCC(C)(C#N)CC1 336226512 USYAWYUYXAYGCK-UHFFFAOYSA-N 257.381 3.637 30 20 CHED CC(C)Oc1c(Cl)cccc1NC(=O)N(C)CCC#N 85600575 APCGUALPCAXZFP-UHFFFAOYSA-N 295.770 3.505 30 20 CHED C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(CC)c1CC 424530989 LUJZCCPWMLTMMK-WBVHZDCISA-N 287.403 3.731 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 425125010 FYDOWQQNPYIKRH-KFWWJZLASA-N 284.403 3.904 30 20 CHED C=C(C)CNC(=O)C(C)(C)CCCc1ccccc1 427945054 JBBPOZPPPULXHQ-UHFFFAOYSA-N 259.393 3.728 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)CCC1 190064202 JULSLHSDZXQVPB-HOTGVXAUSA-N 293.451 3.833 30 20 CHED CCCc1noc(CS[C@H](C)c2cccc(C#N)c2)n1 190786663 OLLYXSCLJHCVEU-LLVKDONJSA-N 287.388 3.888 30 20 CHED C=C(C)CCNc1ccccc1C(=O)NC(C)(C)C 517055280 GVAHFRVUHKPIFW-UHFFFAOYSA-N 260.381 3.593 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCC(C)(C)CC 429024261 WVCGGMZHFUDVEC-UHFFFAOYSA-N 292.398 3.960 30 20 CHED C=CCCNC(=O)CCc1ccc(Cl)cc1Cl 162178175 DQSPERANJIFPFD-UHFFFAOYSA-N 272.175 3.618 30 20 CHED COc1ccc(COc2ccc(C#N)cc2)cc1Cl 513282940 SVGLJHYLRKYDGO-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CC1(C)C(C/N=C(/O)Cc2ccc3n[nH]cc3c2)C1(C)C 330114974 TWZUNMAPAHJRLZ-UHFFFAOYSA-N 285.391 3.744 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1scc(C)c1C#N 335992071 ZDDAOHLYFCUVPB-UHFFFAOYSA-N 274.320 3.628 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CC23CCCC3)c(Cl)c1 334527986 XHRUPEDKUTZMEF-LBPRGKRZSA-N 288.778 3.925 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(O)=Nc1cc(OC)ccc1OC 330625225 HHLQVALJVUOLEH-NEPJUHHUSA-N 292.379 3.512 30 20 CHED C[C@@H]1CCC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 337559741 UMLWAGYZZFCORT-JLZZUVOBSA-N 254.377 3.714 30 20 CHED Cc1cc(C)cc(OCCNc2nc(C)cc(C)c2C#N)c1 511694762 FZYHKFBZNAZAOX-UHFFFAOYSA-N 295.386 3.678 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCc2ccccc21 332720890 RUIFYBSMRBUYFR-AEFFLSMTSA-N 284.403 3.551 30 20 CHED C=CCCC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 335105164 UDTHSIXPCNNRQR-NWDGAFQWSA-N 261.340 3.626 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)C[C@@H]1C 517209200 KHGRISRPXULEMZ-KBPBESRZSA-N 288.439 3.747 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C)n(CC)c1C 338091928 JPDFZVWQZLQXLH-UHFFFAOYSA-N 296.414 3.953 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)s1)C1CCCCC1 334361630 JILZNPXMZDLEKY-UHFFFAOYSA-N 276.405 3.803 30 20 CHED CCSCCSCc1ccc(F)cc1C#N 91618012 RAQFFOFUHPJPMV-UHFFFAOYSA-N 255.383 3.684 30 20 CHED Cc1ccc2oc(C(=O)N(C3CC3)C3(C#N)CCC3)cc2c1 334299231 QDZOBHUWXMHYHW-UHFFFAOYSA-N 294.354 3.792 30 20 CHED Cc1cc(CNc2nc3c(cc2C#N)CCC3)ccc1F 338969115 OLTGYWCUGOLTNM-UHFFFAOYSA-N 281.334 3.502 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccoc2CC)s1 430418397 ZHBWMAYBEWKZLF-UHFFFAOYSA-N 274.345 3.590 30 20 CHED CN(Cc1ccccc1C(F)(F)F)c1cnccc1C#N 94133784 IXQAPLRSQNDTLY-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C[C@@H](CC/N=C(/O)c1csc(O)n1)CC(C)(C)C 331029328 YFOBSOMDEPGPGC-VIFPVBQESA-N 270.398 3.616 30 20 CHED Cc1cc(C)cc(CCNc2ncc(C#N)cc2Cl)c1 525356746 SERCZIXNLDRMQV-UHFFFAOYSA-N 285.778 3.878 30 20 CHED C[C@]1(F)CCN(c2ccc(C#N)cc2C(F)(F)F)C1 346704193 XUTFIOALWAESPR-LBPRGKRZSA-N 272.245 3.515 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CCC(C)(CC)CC1 436305785 HWRKMJSSVJPOJQ-SOEBMCCKSA-N 265.441 3.916 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@@H]2CCc3ccccc32)no1 346526404 DYYBHYYSFRAIBQ-CQSZACIVSA-N 291.310 3.588 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 437898708 GQRPHKMDFNDPPS-ZWNOBZJWSA-N 296.773 3.553 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccccc1OC 436314828 ZNBTUUNREDTUSR-KYJSFNMBSA-N 289.419 3.717 30 20 CHED Cc1cccc(CN(C)C(=O)c2cc(C#N)ccc2Cl)c1 349138422 CQXFVSKQSIZAOU-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CC(C)C1CCC(N(C)C(=O)c2ccc(C#N)s2)CC1 432546315 NQXYUCFFVCMBSF-UHFFFAOYSA-N 290.432 3.907 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(F)cc1Cl 529434942 WRTOSNWJOZXCTL-SNVBAGLBSA-N 296.773 3.986 30 20 CHED CCC[C@H](NCc1cccc(C#N)n1)c1ccccc1 602504237 OAOXBXMPKDBHGB-KRWDZBQOSA-N 265.360 3.584 30 20 CHED C=CCCC[C@@H](C)Nc1ncnc2oc(C)c(C)c12 342784845 WRAZYQKFZBLZPS-SNVBAGLBSA-N 259.353 3.996 30 20 CHED C=CC[C@H](CC)NC(=O)c1sc(C)nc1CC(C)C 341653992 QWQKSDSODYPTGH-LBPRGKRZSA-N 280.437 3.735 30 20 CHED CCOc1cc(C)ccc1CNc1cc(C)nc(C#N)c1 342509097 KYTCUIZCRCHZEI-UHFFFAOYSA-N 281.359 3.581 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccc(F)cc1 341095144 RKXHFULRVYSECB-UHFFFAOYSA-N 287.309 3.793 30 20 CHED C=CCCN(C)Cc1cccc(-c2ccncc2)c1 343439212 GXXHRAFXYPBAIW-UHFFFAOYSA-N 252.361 3.757 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)co1 430604456 NGLNQPTWHFPFQH-LLVKDONJSA-N 288.372 3.832 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H]2CCC[C@@H]21 432570411 UZOKXKZCAKEOEH-KBPBESRZSA-N 264.413 3.563 30 20 CHED Cc1ccc(Cl)c(NC(=O)N2CCC(F)(C#N)CC2)c1 349799918 JWERKSAQVGYFHT-UHFFFAOYSA-N 295.745 3.508 30 20 CHED Cc1nccn1CCCSc1ccc(Cl)cc1C#N 601914281 VVCQCQVTEZFPFA-UHFFFAOYSA-N 291.807 3.899 30 20 CHED CCOc1ccc(C2=CCN(CC3(CC#N)CC3)CC2)cc1 602796118 CVPBQNLNMGVVTK-UHFFFAOYSA-N 296.414 3.868 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1OC)C(C)(C)C 520669251 RXJAJNNBEGJOLY-CQSZACIVSA-N 289.379 3.513 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 602480580 DBLUELHWPVVSJW-BPQIPLTHSA-N 281.403 3.698 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccccc1C#N)C2 255002306 NJCZWUSLPYEAGB-CXUHLZMHSA-N 259.308 3.689 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1cccc(Cl)c1 254949405 XTWDTIXQWVTJDR-FPLPWBNLSA-N 274.751 3.532 30 20 CHED COc1cc(F)cc(CN[C@H](CCC#N)c2ccccc2)c1 449198808 DLPOAKMICWSNJG-GOSISDBHSA-N 298.361 3.969 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)n2)CC[C@@H]1c1ccccc1 602476328 NAULTCXJUTXILA-KXBFYZLASA-N 291.398 3.579 30 20 CHED CCc1cc(N[C@@H](C)CC2(C#N)CCOCC2)ccc1F 602665688 XNSBCHKKUVFAFA-ZDUSSCGKSA-N 290.382 3.899 30 20 CHED Cc1cc(CN[C@@H]2CSc3ccccc32)ccc1C#N 444000792 ILICBGIDRNTRJQ-MRXNPFEDSA-N 280.396 3.803 30 20 CHED C/C=C(/C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(CCCC)cc1 255777875 XLAUZXBWCLHYFA-AKOROQJMSA-N 298.386 3.643 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H](OCCC)CC2)CC1 355832020 QTSZJJIINKOKHR-HNNXBMFYSA-N 279.424 3.541 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1cc(Cl)ccc1Cl 359999231 GRRIPVWOLYECFT-SECBINFHSA-N 285.174 3.864 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)[C@H](C)c1ccc(Cl)cc1 449517320 FERJRBOLUQYQMG-RKLWJJNISA-N 279.811 3.765 30 20 CHED CCCCOCCSc1nc2c(c(C)c1C#N)CCC2 603938228 AFEUCUQHNIFLRU-UHFFFAOYSA-N 290.432 3.659 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1cccc(Br)c1 602442118 VMNSVHFKDVGJEI-LBPRGKRZSA-N 295.224 3.821 30 20 CHED C=CCCCN(CCOC)Cc1ccc(F)cc1Cl 605150999 SAIUZVHWTYAVEC-UHFFFAOYSA-N 285.790 3.894 30 20 CHED CN(C(=O)c1cccc(CC#N)c1)c1ccc2cc[nH]c2c1 352445808 SCEHDTZYBDWKCI-UHFFFAOYSA-N 289.338 3.511 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 445477161 MCGXLFMJDKYBRE-UHFFFAOYSA-N 291.332 3.942 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)Cc1ccccc1 601945390 NFAXFAMGFRWHDJ-MRXNPFEDSA-N 259.393 3.680 30 20 CHED CC[C@H](F)CSc1nc2c(c(C)c1C#N)CCC2 440572091 PQLVUEJLFLIPSM-JTQLQIEISA-N 264.369 3.591 30 20 CHED N#CCCSc1ccccc1NC(=O)C1CCCC1 264498100 FVZSZAOCEJCLPB-UHFFFAOYSA-N 274.389 3.821 30 20 CHED C=CCCCCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 447305422 ZJCJGFDRHYGVRB-UHFFFAOYSA-N 286.335 3.600 30 20 CHED C=CCCCC[C@H](C)NCC[C@H]1CCO[C@H](C)C1 449237538 BZKAWFNNRLFUQE-XHSDSOJGSA-N 253.430 3.916 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CCC[C@H]1C)c1ccccc1 535187271 WDGRBPKTPUBGRH-OIISXLGYSA-N 271.404 3.899 30 20 CHED Cc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc(C)c1F 611199871 OVPDEBUQQNPNQY-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED C=C(CC)CNCc1cnc(-c2ccc(C)o2)s1 449736073 VTOJVMWJODHNMS-UHFFFAOYSA-N 262.378 3.767 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2c(F)cccc21 531577479 RBJFOTZXSVPOME-UHFFFAOYSA-N 273.351 3.873 30 20 CHED CCCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(C)c1 442852303 HJVMXIYTBFGLEJ-ZBFHGGJFSA-N 272.392 3.566 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCC1 265868479 YILBPQCCVVRTEY-UHFFFAOYSA-N 284.812 3.652 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 537230476 LZGCKOMPHQVNLW-HUUCEWRRSA-N 275.392 3.623 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)cc1OC 538339912 RKWNRCQRNPQTNJ-LLVKDONJSA-N 280.343 3.701 30 20 CHED CC(C)(C#N)CNc1ncnc2sc3c(c12)CCCC3 611617871 KNNPSVIQHSOWOL-UHFFFAOYSA-N 286.404 3.532 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2N[C@@H]2CCC[C@H](C#N)C2)cc1 447525864 ADFVKOLAVPZPAW-NQYYFHDYSA-N 298.430 3.887 30 20 CHED CCC(CC)(C(=O)N1CCC(C#N)CC1)c1ccccc1 440379659 ZTZMYEHTULEYIF-UHFFFAOYSA-N 284.403 3.507 30 20 CHED C[C@@H](F)CCN1CCC(C(F)(F)F)(C(F)(F)F)C1 352023973 BXVAHYNDQYNBKX-SSDOTTSWSA-N 281.215 3.551 30 20 CHED CCSCC[C@H](C)NC(=O)Nc1cc(C)cc(C#N)c1 455980447 GAHAQZGZQZTXHV-LBPRGKRZSA-N 291.420 3.520 30 20 CHED N#C[C@@H](C(=O)c1cccs1)c1cc(C(F)(F)F)ccn1 362180406 GPACCUQTFDODGQ-SECBINFHSA-N 296.273 3.652 30 20 CHED Cc1noc([C@@H](C)SCc2ccc(Cl)cc2C#N)n1 614063317 LTLOJFKPATXHLS-MRVPVSSYSA-N 293.779 3.898 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2cccc(CC#N)c2)C1 456749191 KMJHVJODHKIOHO-GXTWGEPZSA-N 256.349 3.517 30 20 CHED C=CC[C@@H](C(=O)NCc1cnc(C2CC2)o1)c1ccccc1 456755273 BUBAXFHTVIDVSX-MRXNPFEDSA-N 296.370 3.528 30 20 CHED Cn1cc(CN2CCC[C@H]2CCC2CCCC2)cc1C#N 361543900 QWRGQRCRVYFPPM-KRWDZBQOSA-N 285.435 3.832 30 20 CHED C=CCCC1(C(=O)Nc2scnc2C(C)C)CC1 456442487 STDSKGLZVPMOAZ-UHFFFAOYSA-N 264.394 3.951 30 20 CHED CC(C)c1ccc([C@H]2CCCN2c2nccc(C#N)n2)cc1 450407893 JQIMQAUZTVGQAJ-QGZVFWFLSA-N 292.386 3.813 30 20 CHED C[C@H](C#N)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 278309231 RKTBRJHGKDDTCN-SSDOTTSWSA-N 294.223 3.673 30 20 CHED CC(C)(C#N)c1ccccc1CS[C@@H]1CCCOC1 272500354 UDWQEWNBUXEPLW-CQSZACIVSA-N 275.417 3.900 30 20 CHED C=CCC[C@H](C(=O)NCC1CC=CC1)c1ccccc1 628542473 LMUPTHASXALCHZ-KRWDZBQOSA-N 269.388 3.819 30 20 CHED CN(CC1(C#N)CC1)[C@@H]1CCC[C@H]1c1ccccc1 459696209 JVOKQBFHSMMTLQ-JKSUJKDBSA-N 254.377 3.558 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccccc1C)C1CC1 459075946 MAOLHMUNPZTTMA-UHFFFAOYSA-N 272.392 3.635 30 20 CHED CC1=C(C(=O)N(C)CC(C)(C)C#N)CCC(C)(C)C1 452147703 NTCOXYWGEIMBEL-UHFFFAOYSA-N 262.397 3.521 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)Nc1cccc(CC#N)c1 456759330 VQZRKKBJYHYRNI-LRDDRELGSA-N 256.349 3.517 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(C)nn1CCCCC 454915584 AYJIOFWWVOHVBF-UHFFFAOYSA-N 292.427 3.715 30 20 CHED C#CC[C@@H](NC(=O)C(C)=C1CCCC1)c1ccccc1 270504143 QUBGMBOSHJNDLD-QGZVFWFLSA-N 267.372 3.758 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cncs1 271511740 NVTBOXJIAPAFRJ-GXTWGEPZSA-N 271.389 3.839 30 20 CHED CC1(C)CCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 541623955 KLWKTMDAQPPYOJ-CYBMUJFWSA-N 276.767 3.520 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(CC#N)cc2)n1 543206072 NXBVSVDNLZEFAD-IBGZPJMESA-N 291.398 3.793 30 20 CHED C[C@H](C(=O)Nc1cccc2[nH]ccc12)c1cccc(C#N)c1 462037888 DEADRTAAMANGCA-LBPRGKRZSA-N 289.338 3.782 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(COCC)cc1 466431318 NLZKOPYDLHBPLV-ZDUSSCGKSA-N 261.365 3.764 30 20 CHED C[C@H]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC12CCC2 462606245 YXZCEQXZKWYCEM-LSDHHAIUSA-N 296.414 3.700 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCCc1cccc(C(F)(F)F)c1 628300220 VJWBJJLSOQUDDU-CABCVRRESA-N 299.336 3.571 30 20 CHED C=C[C@H](C)NC(=O)c1c(C)cc(C)c(Br)c1C 626067098 ZIHZLPLSLRPJJC-JTQLQIEISA-N 296.208 3.679 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1cc(C)c(OC)cc1C 286693910 HAIFKUABEGUYOA-DYVFJYSZSA-N 289.375 3.856 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 280258022 UUPDFJPQBLHTBF-ZIAGYGMSSA-N 284.403 3.748 30 20 CHED C=CCC(C)(C)CNCc1cc2ccc(F)cc2[nH]1 559312882 RTDSFRUNDPNRLL-UHFFFAOYSA-N 260.356 3.999 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](CC)Oc1cccc(C)c1 467989567 FFUJDMBGWKRJRE-YJBOKZPZSA-N 289.419 3.871 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1(C)CCCCCC1 557061786 PGJLQJPDHPYYSV-UHFFFAOYSA-N 285.391 3.899 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(F)c1C 281362788 MDGPEJFOUABSIU-NSHDSACASA-N 250.317 3.610 30 20 CHED C=C[C@](C)(CC)c1nc(-c2nnc(-c3ccccc3)o2)no1 554831983 JMWDCXGXQIWVOE-MRXNPFEDSA-N 296.330 3.640 30 20 CHED CCC[C@H](C)[C@H](CC)NCCc1cccc(C#N)c1 467433389 PWWAMKGHLAZQHW-YOEHRIQHSA-N 258.409 3.905 30 20 CHED C=CCC[C@@H](NCc1nc(C)cs1)c1ccco1 285461271 AHLLQNWUYBEUAV-GFCCVEGCSA-N 262.378 3.842 30 20 CHED C=CCCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 467372398 AQICVIGKKAPRLS-UHFFFAOYSA-N 286.331 3.863 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(OC(C)(C)C)cc1 463027011 BMQBPFQUGAYJLU-CABCVRRESA-N 291.435 3.699 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ccc(F)c(C#N)c1 475592652 YWBJFFOJOHEZOH-HNNXBMFYSA-N 262.328 3.852 30 20 CHED C=CCN1CCC(N[C@H]2CCC[C@H](CC(C)C)C2)CC1 474707248 IVMPJRZSAQBJEX-AEFFLSMTSA-N 278.484 3.831 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H]2CCC3(CCCCC3)O2)n1 477799410 IBNWVARWOIRTSZ-HNNXBMFYSA-N 299.418 3.864 30 20 CHED CC(C)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 563119292 OXTXGEXLJMQQLY-UHFFFAOYSA-N 292.791 3.758 30 20 CHED C#CCCCOC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801897404 FUQPEKUJFWHIBQ-LBPRGKRZSA-N 288.240 3.673 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H]1c1cc(C)ccc1C 474236778 XOACUGIQDJPYHV-AEFFLSMTSA-N 273.420 3.767 30 20 CHED C=C1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)CC1 800903083 MJLXODZWFZJJFZ-UHFFFAOYSA-N 279.409 3.625 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)NCC(C)(C)CCC#N 569161052 FLLGDESSEUTHJU-INIZCTEOSA-N 286.419 3.701 30 20 CHED COc1cc(C=NOCC=C(C)C)ccc1OC(C)C 808245748 WIFNLZZVHSGYEV-UHFFFAOYSA-N 277.364 3.799 30 20 CHED C[C@@H]1CC(=NNc2ccc(C(=O)O)cc2)c2ccccc21 807940057 SSHLTPAIAZEJSB-LLVKDONJSA-N 280.327 3.708 30 20 CHED C=CCCCCCN(C)C(=O)c1ncccc1CSC 290097941 QCHDWDQGNDWVPY-UHFFFAOYSA-N 292.448 3.763 30 20 CHED C=CCCCCCCNC(=O)c1cc(-c2ccccn2)no1 805221677 UPHAETLIEKXHEF-UHFFFAOYSA-N 299.374 3.603 30 20 CHED C=CCC[C@H](NCc1cccc([N+](=O)[O-])c1C)C1CC1 478502559 CDLXLXRTEOOCOZ-HNNXBMFYSA-N 274.364 3.738 30 20 CHED C#Cc1ccc(CN[C@@H](C)[C@@H]2OCCc3sccc32)cc1 292743820 HROJWADSWKZWLM-UGSOOPFHSA-N 297.423 3.522 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1ccc(F)cc1)C2=O 809158338 ZXFPCQZVWABWJA-DHZHZOJOSA-N 286.277 3.796 30 20 CHED C[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)CC12CCCCC2 563498368 SVAPAUPAVOWYQH-OWCLPIDISA-N 260.425 3.971 30 20 CHED CC(C)CCN(CCC#N)C(=O)Cc1coc2ccccc12 560488296 VRITULAHNCMVNR-UHFFFAOYSA-N 298.386 3.764 30 20 CHED C=C[C@H]1CCCCN1C(=O)CSc1ccc(C)cc1C 488821765 KCRVRMUTHIHOOO-HNNXBMFYSA-N 289.444 3.963 30 20 CHED N#CC1(CSCc2ccc(Cl)cn2)CCC1 562824257 WMRCUYAYHKLKEM-UHFFFAOYSA-N 252.770 3.662 30 20 CHED N#CCCOCCN[C@H](c1ccccc1F)C1CCCC1 815085307 RJJLTNNKJFJTCA-KRWDZBQOSA-N 290.382 3.577 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2ccc(C#N)cn2)C1 568407820 TZNFRNKMEOVYDW-FZKQIMNGSA-N 295.361 3.675 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cccc(CO)c1 814697551 SVPQYLWIUQMGQT-UHFFFAOYSA-N 291.354 3.563 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(F)cc1C 815621717 BLJLXBRLNYDXCW-KEYYUXOJSA-N 277.383 3.766 30 20 CHED Cc1[nH]c(=NCc2csc3ccccc23)ccc1C#N 488049111 LGGRTLRFTIJQHN-UHFFFAOYSA-N 279.368 3.510 30 20 CHED N#CC1(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 481204775 UVPYZBWLCHVSKP-DLBZAZTESA-N 268.404 3.681 30 20 CHED CO[C@](C)(C=NNc1ccc(Cl)c(F)c1)C1CC1 814862163 HPHHSHDBAJCQDM-CYBMUJFWSA-N 270.735 3.692 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C(CC)CC 812003499 FHIQXGOYMQCBNN-RHSMWYFYSA-N 286.419 3.827 30 20 CHED C[C@@H]1CC(CCN[C@H]2CCc3ccc(C#N)cc32)C[C@@H](C)O1 568451197 MXVNWCUQGQTXCU-LPMFXHHGSA-N 298.430 3.729 30 20 CHED C=CC[C@H](C)NC(=O)NCc1cccc2ccsc12 651181441 LSUWGRWKIWAWBD-NSHDSACASA-N 274.389 3.665 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@H]2CCC[C@@H](C)C2)cn1 818803387 USDCUPGUNUMZTG-QAPCUYQASA-N 298.430 3.884 30 20 CHED N#CCC1(OC(=O)c2cc3cccc(F)c3o2)CCC1 810855661 QLJJKBPDHZENOB-UHFFFAOYSA-N 273.263 3.565 30 20 CHED CS[C@H]1CC[C@H](N=c2c(C#N)c[nH]c3ccc(C)cc23)C1 813595609 ZMDZLRNYPWMHBO-KBPBESRZSA-N 297.427 3.533 30 20 CHED COc1ccccc1CON=C1CC[C@@H]1C1CCC1 814924148 VTUCNPVZIQUGNU-CQSZACIVSA-N 259.349 3.778 30 20 CHED C(=NNc1ccc2ccccc2n1)c1nc2c(s1)CCC2 814697316 ITVMNZGYGYZNNP-UHFFFAOYSA-N 294.383 3.626 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1c[nH]c2cccc(Cl)c12 816017340 AGBUCRGASKEKRE-SNVBAGLBSA-N 277.751 3.872 30 20 CHED CCc1nocc1CSCc1cccc(C#N)c1 573137345 LKIVFLMGGIBDEP-UHFFFAOYSA-N 258.346 3.542 30 20 CHED CC(C)OCCON=C1CCC2(CCCC2)CC1 812239574 XFOJMAPMPLQVAP-UHFFFAOYSA-N 253.386 3.918 30 20 CHED N#Cc1cccnc1/C=C\c1cc(Br)cs1 486049322 CDUKDFSAKFRZBM-ARJAWSKDSA-N 291.173 3.948 30 20 CHED CCc1cccc(C)c1NN=C[C@@](C)(OC)C1CC1 814923567 UNJQABAZWWWPOW-MRXNPFEDSA-N 260.381 3.770 30 20 CHED COc1cc(Cl)ccc1C(C)=NOCC(F)(F)F 817325529 JJTDLROAMXUSLG-UHFFFAOYSA-N 281.661 3.652 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@H]2C[C@H]21 577078620 VCVCPVBONYHZPI-RANZSIQMSA-N 266.388 3.714 30 20 CHED C[C@H]1CCCCC1=NNCCCOc1ccccc1 729147932 OKWKNPBULXYRSH-AWEZNQCLSA-N 260.381 3.611 30 20 CHED C=CCn1cccc1C(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 490034065 QRKCORNOJVBGSO-KBPBESRZSA-N 274.408 3.713 30 20 CHED C#Cc1cccc(NC(=S)NC[C@H](C)c2ccccc2)c1 726444526 MMHMBFNNLFOPGK-AWEZNQCLSA-N 294.423 3.758 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)CC1 574990223 OJYLFIOJVKTVQY-CZUORRHYSA-N 262.397 3.567 30 20 CHED C=CCNC(=S)N[C@H](c1ccc(Cl)cc1)C1CCC1 729163953 XTJXMQSCWGXDRQ-AWEZNQCLSA-N 294.851 3.831 30 20 CHED C#CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 729222438 WRCFJZRPQDSEAI-OAHLLOKOSA-N 290.794 3.504 30 20 CHED CCCCCCCCOCc1nc(-c2ocnc2C)no1 820902572 DDMGUHUERZXDGU-UHFFFAOYSA-N 293.367 3.910 30 20 CHED CC(C)(C)OC(=O)N1CCC(CCON=C2CCC2)CC1 496813278 WEIQMDAHAGKEGY-UHFFFAOYSA-N 296.411 3.580 30 20 CHED CCCN(C(=O)N[C@@H](CCC#N)c1ccccc1)C(C)C 581319153 RRZZTFLHAXFVIH-INIZCTEOSA-N 287.407 3.861 30 20 CHED C=CCCNC(=O)Nc1cccc(OC2CCCC2)c1 665482624 IGXLDIJXNFXELX-UHFFFAOYSA-N 274.364 3.706 30 20 CHED CC(C)(C/N=C/c1cccc(O)c1O)Cc1ccccc1 735229284 XUQIFRVBIRWCOF-XDHOZWIPSA-N 283.371 3.786 30 20 CHED C[C@H]1CCN(CC#Cc2cccc(Cl)c2)CC1(F)F 494266867 BNBKDJJJZMXIFH-LBPRGKRZSA-N 283.749 3.669 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C3CCC3)n2CC=C)C1 669073381 MRKYMRNKWFLOKN-CQSZACIVSA-N 286.423 3.524 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H](OC)C1 666238526 GSQGSVMHZYSVPP-FGTMMUONSA-N 273.420 3.721 30 20 CHED C#CCCCCCC(=O)N(CC)Cc1occc1C 839883221 DHBRPINJORRSEJ-UHFFFAOYSA-N 261.365 3.520 30 20 CHED CCOc1ccc(/C=N/[C@@H](C)c2c(C)noc2C)c(O)c1 733749928 FZIDBJPTBLMXIF-VJCPFXPRSA-N 288.347 3.576 30 20 CHED CC(C)(C)C#CC(=O)N1CC(C)(C)[C@@H]1c1cccs1 837654711 MROWPZJOLCWVPQ-AWEZNQCLSA-N 275.417 3.707 30 20 CHED C#CCCCCCC=NNc1nccnc1C1CCC1 834979541 LCJJOAYOVOMPMO-UHFFFAOYSA-N 270.380 3.726 30 20 CHED N#CCC[C@@H](NC(=O)OC1CCCC1)c1ccccc1 830923607 HMJRPBLKBRRILT-OAHLLOKOSA-N 272.348 3.700 30 20 CHED CCOc1ccc(N(C)Cc2ccc(C#N)cc2)cc1 739926716 KIDXOBIDQZGICK-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C#CCN(C(=O)Nc1ccc(C2CCC2)cc1)C1CC1 836570954 JAJYPNBHBWQQIF-UHFFFAOYSA-N 268.360 3.584 30 20 CHED N#C[C@@H](C(=O)CCC1CC1)c1nc2cc(F)ccc2s1 734713419 NPNIKJIKTFLWAV-NSHDSACASA-N 288.347 3.802 30 20 CHED CCCCCOc1ccc(Oc2cc(C#N)ncn2)cc1 581055766 HKGBXPXLILAITO-UHFFFAOYSA-N 283.331 3.710 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1cccc2ccccc12 917555088 KKXGWHADVNRZBL-UHFFFAOYSA-N 290.326 3.844 30 20 CHED CCCNN=Cc1cc(Cl)c(OCCC)c(OCC)c1 915965781 ZWIGLLSBXSCOMN-UHFFFAOYSA-N 298.814 3.861 30 20 CHED CCc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)s1 731158600 FNXZKVYEANLYQL-FPLPWBNLSA-N 274.389 3.984 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1C(=O)CC(C)(C)C#N 597886666 TZKJJWHTRGYDHM-HNNXBMFYSA-N 284.403 3.907 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(F)cc1OC1CCCC1 593537609 GOJWVPCBAYLWEZ-LLVKDONJSA-N 290.338 3.635 30 20 CHED C=CCC[C@@H](C)OC(=O)c1cc2cccnc2s1 835267741 NECDVTJVPZSZOS-SNVBAGLBSA-N 261.346 3.808 30 20 CHED C=CCCCON=C(C)CCc1ccc(OC)cc1 740872635 ZLXPTHNARUOFGF-UHFFFAOYSA-N 261.365 3.987 30 20 CHED CCCCCCCC(=O)N[C@H](C)Cc1ccco1 914743628 XGQRNQOAMDYJNL-CYBMUJFWSA-N 251.370 3.687 30 20 CHED C#CCCCNC(=O)Nc1ccc2c(ccn2CC(C)C)c1 743137073 FCPKPIUJAPZXBY-UHFFFAOYSA-N 297.402 3.832 30 20 CHED N#CC[C@H]1CCCN([C@H]2CCc3c(Cl)cccc32)C1 595621391 UFURIQGPYRLRGV-WBMJQRKESA-N 274.795 3.953 30 20 CHED CC1(CNC(=O)N2CCC[C@H](CC#N)C2)CCCCCC1 595585132 LPTKITLEKSTQMD-OAHLLOKOSA-N 291.439 3.682 30 20 CHED COCCON=C1C[C@H](c2ccccc2)Oc2ccccc21 748789559 UKGUIKLTAAYIGX-GOSISDBHSA-N 297.354 3.578 30 20 CHED CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1CC1CCCCC1 598588665 APYYTMDCNUSQKJ-SJORKVTESA-N 292.467 3.722 30 20 CHED C=CCCCOC(=O)[C@@H](C)CC(=O)c1ccccc1F 745485007 CZLILDGQIYZZEA-LBPRGKRZSA-N 278.323 3.544 30 20 CHED CCOc1ccc(/C=N\CC2(OCC)CCCC2)c(O)c1 840705108 DUMGZJHTTDXQSA-PDGQHHTCSA-N 291.391 3.559 30 20 CHED CCc1nc2ccc(NC(=O)[C@@](C)(C#N)CC)cc2s1 592685600 WPHCKQIHIVEGKY-OAHLLOKOSA-N 287.388 3.737 30 20 CHED C[C@@H](CC(=O)N(C)c1ccc(C#N)nc1)C1CCCCC1 593275607 FMNFCYPXPZQJCD-ZDUSSCGKSA-N 285.391 3.523 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(C)c(C)c1O 743451473 GOFVDRGIPIPKQK-UHFFFAOYSA-N 289.766 3.894 30 20 CHED Cc1nc(C)c(CON=Cc2ccc(Cl)cc2)s1 742350932 NWPQTEWMWHEEHZ-UHFFFAOYSA-N 280.780 3.964 30 20 CHED N#C[C@@]1(C(=O)Nc2nccc3ccccc23)CC12CCCC2 597729672 MKIMFXUUQVWJMR-GOSISDBHSA-N 291.354 3.647 30 20 CHED C=CCCCN1CCc2sc(Br)cc2C1 676709222 ADPAAIPUVADLBH-UHFFFAOYSA-N 286.238 3.835 30 20 CHED N#CCCCCCC(=O)NC[C@@H](c1ccccc1)C1CC1 590076250 VUSVWXQQJXQMJG-KRWDZBQOSA-N 284.403 3.770 30 20 CHED C[C@@H](C#N)N(C(=O)CCCc1ccc(Cl)cc1)C1CC1 598133427 XSTTYYZBNBNTRJ-LBPRGKRZSA-N 290.794 3.566 30 20 CHED CSc1cc(F)ccc1NC(=O)C1(C#N)CCCCC1 592721318 PNFYEXXCFSDPTP-UHFFFAOYSA-N 292.379 3.960 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C=C(/C)C(C)(C)C 744025897 HZOVQZWYBORNSZ-XFXZXTDPSA-N 287.359 3.855 30 20 CHED CCOc1cccc(C=NNc2cccc(OC)c2)c1 915956392 XBYZKFRTNNWTRI-UHFFFAOYSA-N 270.332 3.540 30 20 CHED C=C(Cl)COC(=O)/C=C/c1cnc(C(C)(C)C)s1 745676173 CAOUHDKENJUVRV-AATRIKPKSA-N 285.796 3.750 30 20 CHED C#CC1CCN(C(=O)C(C)(C)CCCc2ccccc2)CC1 843707306 QHTOEVOGOVUGCB-UHFFFAOYSA-N 297.442 3.907 30 20 CHED C=CCCC(C)(C)NC(=O)NCCC1(CSC)CC1 596746157 XRUPOQIWAAPASI-UHFFFAOYSA-N 284.469 3.564 30 20 CHED Cc1cccc([C@@H](C)C/N=C\c2ccccc2O)c1 741165511 NDLCEZNTKPUVDN-HIXWQLQUSA-N 253.345 3.923 30 20 CHED CCCn1cccc1C=NNc1cc(F)c(F)c(F)c1 747642863 WHOPCCKEMSPFJS-UHFFFAOYSA-N 281.281 3.761 30 20 CHED Cc1ccc(C)c(NN=Cc2cccc3c2OCCO3)c1 917540410 NYCOBGWAUWAZRK-UHFFFAOYSA-N 282.343 3.521 30 20 CHED C[C@H](CC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccco1 599614038 QEAIDRXFLJGRDV-CHWSQXEVSA-N 282.343 3.522 30 20 CHED CCCCCCCCCC(=O)NC(C)(C)c1ncc[nH]1 846246741 RELBCUPOHWKZAJ-UHFFFAOYSA-N 279.428 3.902 30 20 CHED C=C[C@H]1CCCCN1c1ccc2cc(OC)ccc2n1 683757816 QUCQBTQFPSNTHL-AWEZNQCLSA-N 268.360 3.788 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CCc1c(Cl)cccc1Cl 594253157 MPWHLRRIQMAQBC-JTQLQIEISA-N 299.201 3.544 30 20 CHED CCC(CC)[C@@H](CCN[C@H](C)CC(C)(C)C#N)OC 925586262 LBNXGTSKWBXXPR-UKRRQHHQSA-N 268.445 3.746 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](CCO)c1ccc(Cl)cc1 926427408 FEMSVVJKTMXIJP-IUODEOHRSA-N 294.826 3.681 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 847744768 WZRWWESWYBUWSY-LBKYZSNHSA-N 292.419 3.916 30 20 CHED CCCCCC[C@H](C)C(=O)Nc1cc(C)nn1CCC#N 741912862 QSVNTHAUBKBLAJ-ZDUSSCGKSA-N 290.411 3.650 30 20 CHED CSc1ccc(F)cc1C/N=C\c1ccccc1O 745977233 RVFJHEYWXHCHDC-MFOYZWKCSA-N 275.348 3.872 30 20 CHED Cc1cc(/C=C2/COc3c(C)cccc3C2=O)cc(C)c1O 920067072 RBOWYKARWOECJV-DHDCSXOGSA-N 294.350 3.976 30 20 CHED Cc1ccc(OCC/N=C\c2cc(Cl)ccc2O)cc1 920942073 JJKRPFPDOVBZLZ-WQRHYEAKSA-N 289.762 3.852 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 929932814 FEEZYNFHRQQDBJ-CQSZACIVSA-N 282.387 3.652 30 20 CHED CC(=NNc1cnnn1C)[C@@H](C)c1ccc(CC(C)C)cc1 853352279 OGSOVZGXEPIDRS-CYBMUJFWSA-N 299.422 3.605 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCOc2c(Cl)cccc21 920174410 LOWVEHHBSHVTTG-YFEUJDIGSA-N 287.746 3.988 30 20 CHED C#CC(C)(C)NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 754647299 YNBZHABFJJPLSN-KBPBESRZSA-N 269.388 3.504 30 20 CHED C#CC[C@H](OC(=O)Cc1cc(C)cc(C)c1)c1ccccn1 853104555 JADSMTIJNGIKQT-SFHVURJKSA-N 293.366 3.549 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(O)c(F)c1)C2=O 755592358 ZUBWVNRFXWHHNL-QPEQYQDCSA-N 268.287 3.662 30 20 CHED Fc1cc(F)c2c(c1)C(=NNc1ccc(Cl)nc1)CC2 752732508 SSKLWXWYJGJBRE-UHFFFAOYSA-N 293.704 3.776 30 20 CHED CC(C)[C@H](CC(F)(F)F)N[C@@H](C)CC(C)(C)C#N 926238998 ZJRGLJBMLYDFJH-QWRGUYRKSA-N 264.335 3.881 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCC[C@@H]([S@@](C)=O)C1 850501646 OGESCACRKBGPBO-WFXMFSGNSA-N 285.497 3.791 30 20 CHED CCN(Cn1c(=S)oc2ccc(Cl)cc21)[C@@H](C)C#N 853582630 SJMKYXSMWGEESH-VIFPVBQESA-N 295.795 3.809 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(OCC2CCCCC2)cc1 920584181 YBRZGKQYNPHJOD-ZDUSSCGKSA-N 287.359 3.715 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cccc(F)c2)cc1 920970247 BUCVNXPKXHXZEE-UHFFFAOYSA-N 282.318 3.695 30 20 CHED Cc1cccc2cc(C(=O)O[C@@H](C)C(C)(C)C#N)oc12 753605813 BJMFBEANHKZFDE-NSHDSACASA-N 271.316 3.836 30 20 CHED CC(=NOCC1CCC1)c1nc2c(s1)CCCC2 853439581 MMHPZMPBJYZCHO-UHFFFAOYSA-N 264.394 3.563 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1ccc(C#N)cc1 751131087 PXSNEAAKQQKJMT-GFCCVEGCSA-N 261.328 3.567 30 20 CHED C[C@@H](Nc1cccc2c1OCC2)c1ccc(OCC#N)cc1 858477822 MGSYOXQLIQMMAP-CYBMUJFWSA-N 294.354 3.697 30 20 CHED C=C(C)[C@@H](CC(=O)NCC1CCCCCCC1)OCC 755606493 KNCGSBWFDPHWLC-MRXNPFEDSA-N 281.440 3.834 30 20 CHED C=C1CCN(C(=O)Nc2c(C)cc(N(C)C)cc2C)CC1 930513519 AQQQCWFLQNYSEE-UHFFFAOYSA-N 287.407 3.553 30 20 CHED C#CC[C@@H](NC(=O)N1CCc2ccccc21)c1ccccc1 757764385 VFUMVQSPJWKMOT-QGZVFWFLSA-N 290.366 3.523 30 20 CHED O=C(/C=C/c1ccccc1C1CC1)c1ccc(O)cc1O 757472102 LDRNUUKJVNOGIF-JXMROGBWSA-N 280.323 3.871 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 932179804 JHLXHJOVQOAKGX-FZMZJTMJSA-N 276.767 3.623 30 20 CHED CC(C)(C#N)c1ccccc1CN1CC[C@@H](C(F)(F)F)C1 761054895 KRMLLFXOCVBJGS-CYBMUJFWSA-N 296.336 3.872 30 20 CHED C#CCNC(=O)[C@H](C)SCc1c(C)ccc2ccccc12 764667978 VAZNYCLOCTUQHS-AWEZNQCLSA-N 297.423 3.519 30 20 CHED C#CCCCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 766905931 NGVVBNVBEVXSCJ-ZDUSSCGKSA-N 298.213 3.860 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(C#N)c(C)c2)o1 766489355 CTRBQNYQRNPPFC-YVMONPNESA-N 265.312 3.918 30 20 CHED C=C1CCN(C(=O)Nc2ccc(COC(C)C)cc2)CC1 864253457 UTHRYOWACYNCOR-UHFFFAOYSA-N 288.391 3.796 30 20 CHED C#C[C@@H](CC)OC(=O)/C=C\c1ccc2cc(OC)ccc2c1 768064077 WJMIZPPNOMFUDT-GJBHZFNWSA-N 294.350 3.817 30 20 CHED COc1cccc(C(=O)/C=C\c2cnc(Cl)c(C)c2)c1 760264688 NGEAEUPTJWVADC-SREVYHEPSA-N 287.746 3.948 30 20 CHED CC[C@@H](C)NN=Cc1ccc(Sc2ccccn2)o1 766479203 XEVRCTNVMDVVFN-LLVKDONJSA-N 275.377 3.548 30 20 CHED C(/C=C\c1ccco1)=NNCc1cnc2ccccc2c1 764778911 NQLCXHINZHWZOT-PNWNDUOPSA-N 277.327 3.617 30 20 CHED Cc1cncc(C(=O)/C=C/c2cc(C)ccc2C)c1 767365947 IAOZFJJLVKTKDH-VOTSOKGWSA-N 251.329 3.903 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccccc1F 764438281 ZBBQEUAUPBMBMH-VOTSOKGWSA-N 262.305 3.792 30 20 CHED CC#CCCCC(=O)N(C)c1ccc2ccccc2c1 767046701 TULDCAAFCNZOJD-UHFFFAOYSA-N 265.356 3.996 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](F)c1ccccc1 768990603 YTXCCVRIFNNSCI-HNNXBMFYSA-N 268.291 3.516 30 20 CHED N#CCOc1ccc(N[C@H]2CCc3ccc(F)cc32)cc1 1116495993 NCUZMZURNSLQRF-KRWDZBQOSA-N 282.318 3.827 30 20 CHED C=CC(C)(C)CC(=O)NCCc1ccc(OC(F)F)cc1 877978996 KPAXFZHGRMSJFS-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C#CCCCCCC(=O)N(CC)c1cccc(C)c1 779806474 WNCJECFFDXSRMO-UHFFFAOYSA-N 257.377 3.932 30 20 CHED C#CCCCCC(=O)Nc1ccnn1[C@@H](C)CC(C)C 776303487 JEMWEYHWPMQIHL-AWEZNQCLSA-N 275.396 3.622 30 20 CHED C#CC[C@@H](Nc1noc(-c2ccccc2)n1)c1ccccc1 771756538 NSFHFCWNOPCWLE-MRXNPFEDSA-N 289.338 3.913 30 20 CHED C=CCN(C(=O)c1ccc(SC(F)F)cc1)C1CC1 771817666 BRMPTKGMDIRMGL-UHFFFAOYSA-N 283.343 3.792 30 20 CHED C=CCN(Cc1cc(=O)oc2cc(C)c(C)cc12)C1CC1 772379723 ANALFRFXIHMQJJ-UHFFFAOYSA-N 283.371 3.560 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(Cl)cnc1Cl 875766776 DGWHFKHNMKBAJT-UHFFFAOYSA-N 286.162 3.657 30 20 CHED CCc1cnccc1[C@@H](C)/N=C\c1ccccc1O 773147394 FRKNYKNGOJINAQ-OTWJJXBCSA-N 254.333 3.530 30 20 CHED CC[C@H](C)[C@@H](C(=O)OCC1(C#N)CC1)c1ccccc1 775826178 FJWSXBUQLPLQPN-DZGCQCFKSA-N 271.360 3.663 30 20 CHED CC1(c2ccccc2)CC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)C1 774595919 GDNAOOKFZNPZTJ-YSGZJLAYSA-N 268.404 3.872 30 20 CHED N#C[C@]1(C(=O)OC2CCC(F)(F)CC2)CC12CCCC2 875848852 PDQAOOKCVTYIEY-AWEZNQCLSA-N 283.318 3.582 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H](C)c2ccncc2CC)c1 773147406 FRQZVRAKJPBQOK-HMHKGCENSA-N 298.386 3.928 30 20 CHED CN(Cc1cscc1Br)[C@H]1CC[C@H](C#N)C1 880360300 TWSCQOOOGDXKJA-ONGXEEELSA-N 299.237 3.635 30 20 CHED COc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1C 773139442 JIJPIBLQRBVEOO-VGOFMYFVSA-N 282.314 3.965 30 20 CHED C=CCCCCNC(=O)Nc1ccc(N(C)C)c(C)c1 771114625 MQWODALFVRXXIE-UHFFFAOYSA-N 275.396 3.539 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(F)c(Cl)c1Cl 775184054 UJJGAUQTVCXLNM-MRVPVSSYSA-N 260.139 3.586 30 20 CHED FC(F)(F)CCON=C1CCCC[C@@H]1N1CCCCC1 777458153 FPZMHQPLWNSFJR-ZDUSSCGKSA-N 292.345 3.740 30 20 CHED C=CCN(C(=O)c1cc2c(Cl)cncc2s1)C1CC1 889851761 UPGZBGOYGKORAC-UHFFFAOYSA-N 292.791 3.740 30 20 CHED N#CC[C@H](OC(=O)C1(c2cccc(F)c2)CC1)c1ccco1 1123368782 IWTROEJDGVIAHJ-HNNXBMFYSA-N 299.301 3.648 30 20 CHED Cc1nc(C#N)cc(S[C@@H]2CCCc3ccccc32)n1 882082518 ORLYTURJNRFEPQ-OAHLLOKOSA-N 281.384 3.826 30 20 CHED COc1cccc(O)c1/C=N\C[C@H](SC)C(C)(C)C 783681274 ABCNEDORIQJSMO-CIKBWMHTSA-N 281.421 3.597 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 780591420 KQMTVWSAVZZTSN-CRAIPNDOSA-N 269.388 3.790 30 20 CHED CC[C@H]1CCC[C@H](C=Nn2c(S)nnc2C(C)C)C1 783805775 KEZFVWPRNNHWSC-RYUDHWBXSA-N 280.441 3.741 30 20 CHED FC(F)(F)[C@H]1CCCC(=NN[C@H]2C[C@H]3CC[C@H]2C3)C1 783522248 LVULLANPWTYFMR-ZPFDUUQYSA-N 274.330 3.873 30 20 CHED O=C1/C(=C\c2ccc3cnccc3c2)Oc2ccc(F)cc21 782325376 BNCAOLWJIJYGIS-CAOOACKPSA-N 291.281 3.990 30 20 CHED Cc1cc(Cl)c(C(=O)N(CCC#N)CC(C)C)cc1C 781157594 INDONZFBTUQGAB-UHFFFAOYSA-N 292.810 3.969 30 20 CHED CC(=NN[C@H]1CCCOC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788440594 JDYQCAVHVBWJBT-SDDRHHMPSA-N 298.839 3.650 30 20 CHED COC(=O)c1cccc(NN=C[C@@H]2CCCC[C@H]2C)c1 783866916 LWBZAZOUZBCQJM-OCCSQVGLSA-N 274.364 3.697 30 20 CHED CCCCCCCC(=O)NCC(C)(C)C1=CCOCC1 1124093457 ZXDHGATWAZVPAX-UHFFFAOYSA-N 281.440 3.836 30 20 CHED CCCCC[C@H](NC(=O)N1CC[C@@](F)(C#N)C1)C(C)(C)C 786122580 UMNAMCKFMMZSDG-XJKSGUPXSA-N 297.418 3.629 30 20 CHED C#Cc1ccc(CN2CC[C@@H](c3ccccc3OC)C2)cc1 787771699 ULSQWJUIWZBOMO-GOSISDBHSA-N 291.394 3.666 30 20 CHED Cc1cc(C#N)nc(N[C@H]2CCO[C@H](c3ccccc3)C2)c1 893197936 FFYOKIULHASHIZ-RDJZCZTQSA-N 293.370 3.594 30 20 CHED CCCCO[C@H]1CC(=NNc2ccnc(F)c2)C1(C)C 781129824 LQXJJDADMLOPQI-ZDUSSCGKSA-N 279.359 3.604 30 20 CHED Cc1cc(NC(=O)Cc2ccccc2CC#N)ccc1Cl 1130268093 OHXGNQYLDLPWGZ-UHFFFAOYSA-N 298.773 3.896 30 20 CHED CC(C)(C)CCNN=Cc1cccc(OCCCC#N)c1 782902653 GQYKTYAGVDUKOT-UHFFFAOYSA-N 287.407 3.729 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NOC[C@H]2CCOC2)C1 788030777 PTNLUASMCFAHQA-WMLDXEAASA-N 273.376 3.537 30 20 CHED C=C1CC(c2noc([C@H](CC)OC3CCCC3)n2)C1 896878035 WVYNCSHBJLETQP-ZDUSSCGKSA-N 262.353 3.914 30 20 CHED C=C1CN(C(=O)c2cc(C)n(C3CCCCC3)c2C)C1 898696231 SCGYQHDHKQDGED-UHFFFAOYSA-N 272.392 3.622 30 20 CHED CCSCc1ccccc1C(=O)OCC1(C#N)CCC1 789477518 DRRLLWLUYRESGN-UHFFFAOYSA-N 289.400 3.790 30 20 CHED C[C@@H]1C[C@H](CC/N=C/c2cc3ccccc3nc2O)CCO1 783685560 PBOGMELHFZARGN-SLIIDIDTSA-N 298.386 3.565 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(C#N)c1F 512457822 WASDTWRPDBXOFM-XJKCOSOUSA-N 272.367 3.850 30 20 CHED C=CC1(OC(=O)c2nc(-c3ccccc3)oc2C)CC1 893366036 LGHCGNJYPFOWNH-UHFFFAOYSA-N 269.300 3.525 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1Cl 103329862 INNCMOCFMJPQPN-LBPRGKRZSA-N 270.719 3.534 30 20 CHED Cc1ccc(C(=O)/C=C/C(=O)NC2CCCCCCC2)cc1 797611841 CWHHXCXVEIMTCT-BUHFOSPRSA-N 299.414 3.963 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2ccccc2F)cc1C#N 799363957 UPLSYQDAOWKNSJ-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C=CCN(C(=O)Nc1cnn([C@@H](C)CC)c1C)C(C)C 792482157 OUTKMZZUFMCNBP-LBPRGKRZSA-N 278.400 3.591 30 20 CHED C#C[C@@H](NC1CC(c2ccccc2C)C1)C(C)(C)C 705287481 ZXGNALYTEYYXMJ-VMBOVVBDSA-N 255.405 3.879 30 20 CHED C=C(C)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 794496013 WRIFQWSOBMFZRS-UHFFFAOYSA-N 262.092 3.857 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1cccc(OC(C)C)c1 798374100 CUXDMEMENJOBCX-OAHLLOKOSA-N 290.407 3.628 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C\c1ccc(C#N)c(C)c1 799896478 ILEMQNXLJSCVHK-SXGWCWSVSA-N 288.350 3.976 30 20 CHED COc1cc(OC(=O)c2ccoc2C(C)C)ccc1C#N 797008084 SCGXXOAADSYUNV-UHFFFAOYSA-N 285.299 3.502 30 20 CHED Fc1cc(F)c(NN=C[C@H]2CCCSC2)cc1F 794909357 QYMDZEOUWQDRMX-MRVPVSSYSA-N 274.311 3.645 30 20 CHED C[C@H](NN=Cc1ccc(OC(F)F)c(F)c1)C(C)(C)C 793117969 YLDNSALNTIDXNC-VIFPVBQESA-N 288.313 3.785 30 20 CHED CC(=NNc1ncccc1F)c1ccccc1OC(F)F 794989006 CKKYTZPVOJGUBG-UHFFFAOYSA-N 295.264 3.658 30 20 CHED CCCC[C@@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 799960419 UOCOOYCYZXHKST-OLZOCXBDSA-N 259.349 3.989 30 20 CHED C=CCCCCC[C@H](C)NC[C@H](O)c1ccc(C)o1 793537484 XDDRDFKKPIFCKE-ZFWWWQNUSA-N 265.397 3.736 30 20 CHED C=CCN(C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C)C(C)C 797542078 LCVNVYKXAMLUIT-KFWWJZLASA-N 266.429 3.665 30 20 CHED C=CC[C@@H](NCc1cc(C)nc(Cl)c1)c1ccncc1 797600341 QPRCSRHYBMGZKF-OAHLLOKOSA-N 287.794 3.845 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(OC(C)C)cc1 90883605 YWHYGVSTPDAXIL-OAHLLOKOSA-N 277.408 3.717 30 20 CHED CCCCCCCCN1CCc2ncsc2C1 782635302 NXWRGIICLAZDRF-UHFFFAOYSA-N 252.427 3.862 30 20 CHED C=Cc1ccc(CCNc2ccc(Cl)c(C#N)n2)cc1 1163364715 WNJLHOOXGOAJBW-UHFFFAOYSA-N 283.762 3.904 30 20 CHED Cc1cc(Nc2cn(C)nc2C2CCCCC2)ncc1C#N 1163352013 ASSKPUJSSKZARA-UHFFFAOYSA-N 295.390 3.787 30 20 CHED CC(C)(c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1324029983 UKBLQDMMWZJCBL-UHFFFAOYSA-N 289.338 3.934 30 20 CHED C=CCCCC(=O)NCc1cccc(C(F)F)c1 1324294529 YCXLADOOMJBGDG-UHFFFAOYSA-N 253.292 3.597 30 20 CHED C=CCC[C@H](C(=O)N1CCCSC1)c1ccccc1 1336667109 YUONSHYYUBBPNS-HNNXBMFYSA-N 275.417 3.659 30 20 CHED Cc1c(C(=O)NC/C=C\C2CC2)sc2ccc(C#N)cc12 1330462585 VXCOXBMBHOTFIQ-IHWYPQMZSA-N 296.395 3.777 30 20 CHED CCC1CCC(N(C)C(=O)c2ccc(C#N)cc2F)CC1 1338706648 XIVHJBCYVHLBGQ-UHFFFAOYSA-N 288.366 3.738 30 20 CHED C=C(C)CCC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 1336431353 IOOCTZJUPFDPQC-CYBMUJFWSA-N 288.391 3.510 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NC[C@H]1CCCC1(F)F 1263108860 IZNFPJAMXNQKDC-OLZOCXBDSA-N 286.366 3.562 30 20 CHED C=CCn1c([C@H]2CCCC2(F)F)nnc1N(CC)C(C)C 1340505602 BONBERRYHNOKFP-GFCCVEGCSA-N 298.381 3.602 30 20 CHED CCN(Cc1cccc(OCCCC#N)c1)C(C)(C)C 1261255809 KTQNPDYBPGDNTC-UHFFFAOYSA-N 274.408 3.990 30 20 CHED C=C(C)CCC(=O)NC1(Cc2ccccc2)CCC1 1346907810 RJUPREPSSYRECB-UHFFFAOYSA-N 257.377 3.624 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(Cl)c1F 1343382890 KHBOBTUUYHLCGS-CQSZACIVSA-N 269.747 3.698 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2cc(C#N)ccc2F)[C@H](C)C1 1435231744 HKKXFXGGOGIGLE-UEKVPHQBSA-N 275.323 3.679 30 20 CHED C=CCCOCCN[C@H](C)c1cc2c(s1)CCCC2 222449926 VYRMVENIGHBVMA-CYBMUJFWSA-N 279.449 3.870 30 20 CHED Cc1cc2c(NC(=O)C3=CCCCCC3)n[nH]c2cc1C#N 1469795444 MKWGGQVOXBKFII-UHFFFAOYSA-N 294.358 3.572 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(CC(=O)O)cc1 1602856567 CFDNWKKUNBPMTJ-INIZCTEOSA-N 275.392 3.538 30 20 CHED CC#CCCCC(=O)Oc1c(C(=O)O)ccc2ccccc12 1602946914 HBASWROVNHNUHH-UHFFFAOYSA-N 296.322 3.637 30 20 CHED C=C[C@H](SCc1ccc(C(F)(F)F)cc1)C(=O)O 1609287524 TYBMKVKSMFKSBQ-JTQLQIEISA-N 276.279 3.578 30 20 CHED C[C@H](C#N)N(C)C(=O)c1sc2cccc(F)c2c1Cl 1534405057 ONTOXVBIFXJKDM-SSDOTTSWSA-N 296.754 3.678 30 20 CHED COc1ccc(CNc2cccc(OCC#N)c2)c(C)c1 1474430678 LSGZSWWRYYFKFE-UHFFFAOYSA-N 282.343 3.518 30 20 CHED CC1(C)CCC(C)(C)N(CCOc2cccc(C#N)c2)C1 1473657173 DDDWYWMFCAJMTP-UHFFFAOYSA-N 286.419 3.838 30 20 CHED O=C(O)c1coc(/C=C\C(=O)c2cc3ccccc3o2)c1 1610866418 KLFFTYQKUSWHMQ-WAYWQWQTSA-N 282.251 3.620 30 20 CHED CCN(CCNc1cccc(F)c1C#N)c1cccc(C)c1 1559054238 HIXZRGNAECZTHX-UHFFFAOYSA-N 297.377 3.944 30 20 CHED CCC(C)(C)CCN1CCN(c2ccc(C#N)cc2)CC1 1560077732 WHIBDPXRLZVTFF-UHFFFAOYSA-N 285.435 3.507 30 20 CHED CCN(Cc1ccc2ccccc2c1)c1cncc(C#N)n1 1639618725 COESQRSBDROGKY-UHFFFAOYSA-N 288.354 3.528 30 20 CHED Cc1cc(NCC(C)(C)Cc2ccccc2)ncc1C#N 1639474352 HPMWSQNOGQSJPL-UHFFFAOYSA-N 279.387 3.943 30 20 CHED N#Cc1ncccc1S[C@@H]1CCc2ccc(F)cc21 1643928771 ISJTYKARQYPXMA-CQSZACIVSA-N 270.332 3.872 30 20 CHED N#Cc1cc(=NC(c2cccs2)c2cccs2)cc[nH]1 1650782446 VFSLNAYGJKLOEY-UHFFFAOYSA-N 297.408 3.700 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cc(Cl)ccc1F 1653886325 HGCHGZNNBLXFOV-SNVBAGLBSA-N 266.747 3.824 30 20 CHED C=CC[C@@H](SCc1ccccc1Cl)C(=O)O 1588758726 IYADEXFADDCGMV-LLVKDONJSA-N 256.754 3.603 30 20 CHED CCc1ccc(C(C)=NNc2ccc(C(=O)O)c(F)c2)o1 1597512178 RFWJKNGZEAHHSN-UHFFFAOYSA-N 290.294 3.515 30 20 CHED O=C(O)c1cccc(NN=C(CC2CC2)CC2CC2)c1 1776038477 LQYRZTUUICGBNP-UHFFFAOYSA-N 272.348 3.753 30 20 CHED CC[C@@H](NN=C1CCC[C@@H](C2CCCCC2)C1)C(=O)O 1776067705 HSPBBZNQFRXAHT-UKRRQHHQSA-N 280.412 3.566 30 20 CHED COc1cc(C(=O)O)ccc1/C=C/C(=O)c1cccc(C)c1 1776127326 PPFUUKAGJOXWDO-CMDGGOBGSA-N 296.322 3.598 30 20 CHED C[C@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)[C@@H]1C 1776074947 DHKSWERIRNHWNG-VHSXEESVSA-N 278.327 3.748 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1F 7469017 WURCNYGTNRCPAN-UHFFFAOYSA-N 292.266 3.896 30 20 CHED CCC(=O)c1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 18055225 VPAZYQCUGHPXCO-UHFFFAOYSA-N 296.282 3.851 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1cccc2ccccc12 161232461 FARYUTKHQGEGLV-CYBMUJFWSA-N 268.360 3.728 30 20 CHED CN(CC#N)Cc1ccc(Oc2ccccc2)c(F)c1 158170686 DVDOHSUONQUUTI-UHFFFAOYSA-N 270.307 3.573 30 20 CHED CCc1nnc(Oc2ccc(Cl)cc2)c(C#N)c1CC 125023318 NXZNTMGIAQBQDY-UHFFFAOYSA-N 287.750 3.919 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(C(F)(F)F)CC1 151014443 RYRQCKGVIUEINO-UHFFFAOYSA-N 275.314 3.556 30 20 CHED CC[C@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 151389290 NRGRSIOPLGUACQ-DOTOQJQBSA-N 299.418 3.863 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)[C@H](C)CC#N 152344516 GVELJJUDUJHVIQ-SECBINFHSA-N 289.766 3.504 30 20 CHED C=CC1CCN(C(=O)Nc2cc(C)cc(F)c2)CC1 152749065 TZWZXCPQMKBNMH-UHFFFAOYSA-N 262.328 3.564 30 20 CHED C=CCCCNc1ccc(NC(C)=O)cc1Cl 157175926 QMFNYCCFKPIHDG-UHFFFAOYSA-N 252.745 3.677 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(COc2cccc(F)c2)c1 154032910 FOUCCRDTOKNXFB-ZDUSSCGKSA-N 299.345 3.709 30 20 CHED CC[C@H](CC(=O)N[C@@](C)(C#N)CC)c1ccc(C)cc1 157928664 IBQGALIYZRSDEL-RHSMWYFYSA-N 272.392 3.687 30 20 CHED Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC(C)C)cc1 154493851 VXNDLAQTGWSHHK-UHFFFAOYSA-N 294.354 3.797 30 20 CHED N#CCCN(Cc1ccco1)Cc1cccc2[nH]ccc12 159626164 HXEKJDUIZODPFJ-UHFFFAOYSA-N 279.343 3.677 30 20 CHED C#C[C@H](CC)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 234030408 RJSFCNCRCVDEML-HARIEKMUSA-N 273.420 3.511 30 20 CHED C#Cc1ccc(CNCC2CCC(F)(F)CC2)cc1 809662020 XHPGYBGYBLTLEU-UHFFFAOYSA-N 263.331 3.583 30 20 CHED COc1cccc(/N=C(\Cl)CC(F)(F)F)c1 1857775952 PHIAODMDLFBDDU-DHDCSXOGSA-N 251.635 3.916 30 20 CHED Cc1cccc(C(=O)Nc2ccccc2C#N)c1Cl 162007914 DUWOUSKDXVUWAO-UHFFFAOYSA-N 270.719 3.772 30 20 CHED COc1ccccc1SCCOc1ccc(C#N)cc1 41067603 SCXUQERISWSAKL-UHFFFAOYSA-N 285.368 3.738 30 20 CHED CCCc1ccc(Nc2nnc(C)c(C)c2C#N)cc1 55372055 CKEITXUEZWIMJB-UHFFFAOYSA-N 266.348 3.661 30 20 CHED N#Cc1cncc(Sc2ccc3ccccc3c2)n1 401265625 QNRQETJHLYNVFS-UHFFFAOYSA-N 263.325 3.653 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C#N)c1 308204898 SCBDBJWCYUWAAR-AWEZNQCLSA-N 258.365 3.878 30 20 CHED C=CCCCCCCNC(=O)N1CCC(C)CC1 310692279 OGEDQCQKMPQNEK-UHFFFAOYSA-N 252.402 3.564 30 20 CHED CCCCCCCN1CCC[C@@](O)(C(F)(F)F)CC1 311578815 HKVKILDYRCSSSA-ZDUSSCGKSA-N 281.362 3.736 30 20 CHED N#CC1(/C(O)=N/C[C@@H]2CCCSC2)CCCCC1 329329073 YDKUIDBMXWJTAQ-LBPRGKRZSA-N 266.410 3.560 30 20 CHED Cc1nc(C)c(COc2cc(Cl)ccc2C#N)s1 353743971 ZJTUQBNNZZRFFM-UHFFFAOYSA-N 278.764 3.864 30 20 CHED N#Cc1ccc(CNC2CCC3(CC2)CC3)cc1F 449735512 HFPFVTVQULICNQ-UHFFFAOYSA-N 258.340 3.510 30 20 CHED CC[C@H](O)CCCNc1ccc(C(F)(F)F)c(C#N)c1 357498630 CBIPUJITPFLATC-LBPRGKRZSA-N 286.297 3.540 30 20 CHED C=CC(C)(C)CNCc1ccc(OC(C)C)c(OC)c1 395417852 ZXGREZJVKPPDKJ-UHFFFAOYSA-N 277.408 3.784 30 20 CHED C=CCCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 398050671 DEYHBVPQLIIMCT-LLVKDONJSA-N 264.325 3.760 30 20 CHED N#C[C@H](NC(=O)[C@H]1CC12CCCCC2)C1CCCCC1 532418485 ILUUMXXHILTONJ-CABCVRRESA-N 274.408 3.545 30 20 CHED Cc1ccc(-c2ccsc2C(=O)O[C@H](C)C#N)cc1 7804051 GHSIUWOOKZAXQX-LLVKDONJSA-N 271.341 3.792 30 20 CHED CCC[C@@H](CC)NC(=O)Nc1cccc(C#N)c1C 178578490 LLIGURVHJQWSHW-CYBMUJFWSA-N 259.353 3.567 30 20 CHED C/C(=C\C(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 176592632 BQOMFDDNMCEBMG-VSOYFRJCSA-N 282.387 3.679 30 20 CHED CN(C(=O)c1sccc1C#N)[C@H]1CCCc2ccccc21 52028927 PAVVFWIOVDCYNW-HNNXBMFYSA-N 296.395 3.769 30 20 CHED CCCCCCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 116811739 BYAVLASUQPWNGE-UKRRQHHQSA-N 250.386 3.545 30 20 CHED C=CCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 464817611 HGITVTYIEHAZFZ-IAGOWNOFSA-N 254.377 3.724 30 20 CHED Cc1cccc(NC(=O)N(CCC#N)CCC(C)C)c1F 179987931 LGOFRXMAWYCOGN-UHFFFAOYSA-N 291.370 3.928 30 20 CHED Cc1cc(C)c(C(=O)N(C)c2cc(Cl)ccc2C#N)o1 177752851 BHNDWOCWMRUHGQ-UHFFFAOYSA-N 288.734 3.698 30 20 CHED Cc1nc(SCC(=O)c2ccc(C#N)cc2)sc1C 10369424 ZVFHFTIJBLVTPG-UHFFFAOYSA-N 288.397 3.607 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CCc1ccoc1 175550017 NXVFXZSSCSFJPO-UHFFFAOYSA-N 297.358 3.544 30 20 CHED C=CC1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1 110366561 LZFMXQJJUTUVQN-UHFFFAOYSA-N 269.344 3.779 30 20 CHED CCCCCCCNc1ccc2oc(=O)n(C)c2c1 178353760 CZOVLDNCOSKZLE-UHFFFAOYSA-N 262.353 3.514 30 20 CHED CCCc1ccccc1NC(=O)c1cc(C#N)cs1 176939151 GXLUXXACPAAEMM-UHFFFAOYSA-N 270.357 3.825 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 117398705 NAUYQUNXQCHJPM-HNNXBMFYSA-N 271.364 3.601 30 20 CHED C#C[C@@H](NC1CC(c2cccc(Cl)c2)C1)C(C)C 302448526 XCZJPUQXKICNAA-AVVWSFFYSA-N 261.796 3.833 30 20 CHED C=C[C@H](C)Nc1nnc(Cc2ccc(Cl)cc2)s1 302379898 BNBVFFNZOUYXIK-VIFPVBQESA-N 279.796 3.769 30 20 CHED C=CCOc1ccc(OC(=O)[C@H](OC)c2ccccc2)cc1 173524464 LNVPLROKSTZGIY-QGZVFWFLSA-N 298.338 3.545 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)C1CC1 119968341 GRVJYTNCXDKFKG-HZPDHXFCSA-N 279.811 3.708 30 20 CHED CCCNC(=O)Nc1ccccc1S[C@H](C)CC#N 66956087 QJUQBSUEXMCNOC-LLVKDONJSA-N 277.393 3.612 30 20 CHED CCN(C(=O)CCC1CC1)[C@@H](C)c1ccc(C#N)cc1 115021931 HHLDDAVGTLMHHH-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED O=C1C(=Cc2coc3ccccc23)C(=O)c2ccccc21 178981317 PEBSTUJVQYWHOH-UHFFFAOYSA-N 274.275 3.895 30 20 CHED Cc1cccc([C@@H](C)Sc2nc(N)c(C#N)cc2C#N)c1 172909380 BHGFRJSVMFZHJV-LLVKDONJSA-N 294.383 3.569 30 20 CHED CC(C)(CC1CCCCCC1)Nc1ccc(C#N)nn1 302514803 UUUUKOSNKPIWPH-UHFFFAOYSA-N 272.396 3.899 30 20 CHED C=CCCCC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 179106310 QJOGHEFXNUGHJK-RDJZCZTQSA-N 287.403 3.627 30 20 CHED CC(=O)c1ccc(C#N)c(NCC2(C)CCCC2)c1 302125207 WABCXSIJDAJWIQ-UHFFFAOYSA-N 256.349 3.753 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(C#N)cc1 1275981633 BIZYTHRBDCBDBR-QZTJIDSGSA-N 298.430 3.823 30 20 CHED COc1cccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2C)c1 128448201 YWEAOCXMXXOPQO-VQHVLOKHSA-N 297.310 3.808 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1cccc(O)c1 33469996 WNJOACZRNORYQF-HJWRWDBZSA-N 290.265 3.890 30 20 CHED CSCCCCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 121597051 DKEMTVSBNORKKV-CYBMUJFWSA-N 296.823 3.554 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC1CCOCC1 409447417 QAHLZBTZKRNWED-MOPGFXCFSA-N 298.430 3.575 30 20 CHED CC(C(=O)Nc1ccccc1O[C@H](C)C#N)=C1CCCC1 183105878 KESXNTBWVILMMB-GFCCVEGCSA-N 284.359 3.806 30 20 CHED COC[C@@H](Cc1ccccc1)N(C)CC(C)(C)CCC#N 187993979 DPTCIBYQESPJLG-QGZVFWFLSA-N 288.435 3.506 30 20 CHED CSc1ccccc1C[C@H](C)NCCCCC#N 183490107 DISABOQDZPLPDW-ZDUSSCGKSA-N 262.422 3.623 30 20 CHED C=CCN(Cc1cccs1)C[C@H](O)c1ccccc1F 78338821 AXENDGQMISSVBL-INIZCTEOSA-N 291.391 3.609 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412229720 IBXMCHJBULQTBQ-RRQGHBQHSA-N 282.387 3.523 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H]1CCC[C@H](C)C1 130425692 YOMPBGXUAFQHDP-BBRMVZONSA-N 272.392 3.577 30 20 CHED C=CCCC[C@H](C)NC(=O)c1sccc1CC 182584157 HSOFITMDCFHOAX-NSHDSACASA-N 251.395 3.785 30 20 CHED CC(C)CN(CCCC1(C#N)CCOCC1)C1CCCC1 410338494 DXLDGHFTBNLWFP-UHFFFAOYSA-N 292.467 3.988 30 20 CHED Cc1c(CNc2ccc(F)cc2C#N)cccc1[N+](=O)[O-] 126412139 ADQOAFOARBREBA-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CC(C)(C)CN(CCC#N)CCCCC(F)(F)F 154097836 HYYFXEIZZRTGSD-UHFFFAOYSA-N 264.335 3.981 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2cccc(C)c2)n1CC 127188483 LSYZGLSAMXLGGE-ZDUSSCGKSA-N 286.404 3.668 30 20 CHED C[C@H](Cc1ccncc1)Nc1ccc(Cl)cc1C#N 487633315 MIZZASZYEZCVDS-LLVKDONJSA-N 271.751 3.650 30 20 CHED Cc1cc(C)c(C#N)c(N2CCCC3(CCCC3)C2)n1 445662740 CVWFVPJRYDZPKT-UHFFFAOYSA-N 269.392 3.731 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](OC)c1cccc(Cl)c1 188466126 DRUVQSDZSZHJFV-HOCLYGCPSA-N 295.810 3.746 30 20 CHED CO[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 185846990 XBLQUDMYSZWQHQ-VBNZEHGJSA-N 292.810 3.699 30 20 CHED C[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)c2ccccc21 120964193 DAFYUBBXDXKHOG-JTQLQIEISA-N 298.292 3.600 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](CC)[C@H]1CCOC1 414297295 HECFKBCPYAMTBM-RCCFBDPRSA-N 273.420 3.579 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cc(C(CC)CC)no1 74707137 JOBRANAERKIWFG-UHFFFAOYSA-N 293.411 3.686 30 20 CHED CC[C@H](NCC#Cc1ccc(F)cc1)c1nc(C)cs1 184347255 DWDNRTRSPUMPOQ-HNNXBMFYSA-N 288.391 3.683 30 20 CHED CCOc1ccc(OCc2cc(C#N)ccc2OC)cc1 129259794 HDMHGMIMAAGUOZ-UHFFFAOYSA-N 283.327 3.545 30 20 CHED N#Cc1cccc(NCc2cc(-c3ccccc3)no2)c1 73627136 XMWSEWTZINFLEG-UHFFFAOYSA-N 275.311 3.825 30 20 CHED C=CCNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 509536227 KWQNGFWHQGZQEW-UHFFFAOYSA-N 277.795 3.844 30 20 CHED Cn1nc(C2CCCC2)cc1NCc1ccc(C#N)cc1 181024963 DXNWJTXKFIWCFL-UHFFFAOYSA-N 280.375 3.561 30 20 CHED C=C(C)CN(CC)C(=O)c1cccn1C1CCCC1 180355102 OGUCXTKTLNDLRG-UHFFFAOYSA-N 260.381 3.641 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N[C@](C)(C#N)C(C)(C)C 410670805 FQXJWKUIIPAHQD-XJKSGUPXSA-N 266.429 3.893 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H](CC)CSC 181461099 PHLGAQXIJZGTGD-GFCCVEGCSA-N 298.477 3.587 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1C#N 132418698 YBUOZBCODFAVGL-KRXBUXKQSA-N 281.286 3.602 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1ccccc1SC 184086054 PLKLZFJKENXKFS-GXTWGEPZSA-N 262.422 3.621 30 20 CHED C[C@H](NCc1ccccc1C(C)(C)C#N)c1cccnc1 182885160 CPXGURIDOXLNLU-AWEZNQCLSA-N 279.387 3.734 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(Cl)s1 130432617 PSMASLYGMVKPLX-JTQLQIEISA-N 259.802 3.645 30 20 CHED C=CCOc1ccccc1C(=O)N(C)Cc1ccccc1F 45053108 GRJOYQJFXFEWQG-UHFFFAOYSA-N 299.345 3.663 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 525182747 YDNSDBIYSIVMPJ-YESZJQIVSA-N 254.377 3.617 30 20 CHED C=C[C@@H](CC(=O)N(CC)c1ccncc1)c1ccccc1 135111839 SBRJKBMYODYVQW-HNNXBMFYSA-N 280.371 3.794 30 20 CHED Cc1ccc([C@H](C)N(C)c2ccc(C#N)nc2)c(C)c1 426519599 ALZYKWCHYLZHCB-AWEZNQCLSA-N 265.360 3.768 30 20 CHED C[C@@H](CCc1c(F)cccc1F)N[C@@H]1CC[C@H](C#N)C1 424335015 WFZOXSMZZNVKJS-RWMBFGLXSA-N 278.346 3.568 30 20 CHED C[C@]1(C#N)CCCN(Cc2cccc(C(F)(F)F)c2)C1 612161250 BDTKQMTWZVCODV-CQSZACIVSA-N 282.309 3.831 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)C1 516231220 RMDBQBDQDQHVFN-DLOXAQCQSA-N 276.424 3.599 30 20 CHED C=CCCNc1cc(Br)c(F)cc1F 228037722 BJWCMOWLSCUIPG-UHFFFAOYSA-N 262.097 3.715 30 20 CHED C[C@@H]1CC(=O)CC[C@@H]1C(O)=Nc1ccc2ccccc2n1 328944167 UQIMJIHIYHGQPD-RISCZKNCSA-N 282.343 3.828 30 20 CHED CSC1CCN(Cc2ccc(C#N)cc2Cl)CC1 380650357 XVUUDHXGNNHILZ-UHFFFAOYSA-N 280.824 3.539 30 20 CHED C[C@@H]1C[C@@H](/C(O)=N/CCc2cc3ccccc3[nH]2)CCC1=O 328927860 GCZHCESJYXLNTA-OCCSQVGLSA-N 298.386 3.672 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1cccc(C#N)c1 43474177 QOAIENCSPPDHAE-SNVBAGLBSA-N 285.278 3.779 30 20 CHED C=C(C)CN(CC)C(=O)CN(CCC(C)C)C1CCCC1 519904324 FPNSAHWALCLHSB-UHFFFAOYSA-N 294.483 3.702 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CC23CCCCC3)c1 514718077 MDUDBNRFTYIKST-BBWFWOEESA-N 294.398 3.501 30 20 CHED COc1ccc(CN2CCC3(CCCC3)CC2)cc1C#N 87833388 KNKJXJRIKYVJRS-UHFFFAOYSA-N 284.403 3.723 30 20 CHED Cc1cc(C)c(C(=O)COc2cccc(C#N)c2)c(C)c1 47820723 KINOHXQGYOPPIC-UHFFFAOYSA-N 279.339 3.745 30 20 CHED CC(C)=CCOc1ccc(CC[C@H](C)NCCC#N)cc1 426006211 VRQKCPHICDTRRS-INIZCTEOSA-N 286.419 3.856 30 20 CHED N#CCCSCCCOc1ccc(Cl)cc1 82693081 SAWWNQRTJLAEOT-UHFFFAOYSA-N 255.770 3.756 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(Cl)c1OC 425456153 VSSLCOVUNVBINJ-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C=CC[C@@H](C)[C@H](C)NCC(=O)Nc1ccc(C)cc1Cl 425367975 JFGMBOACMKXQAP-OLZOCXBDSA-N 294.826 3.777 30 20 CHED O=S(=O)(/N=C(\O)C1CCCCCCC1)C1CCCC1 86055656 MFNFBSJHDLRFOI-UHFFFAOYSA-N 287.425 3.576 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(Cl)s1 190264219 VMMQPUNVCRAXSQ-LBPRGKRZSA-N 257.786 3.620 30 20 CHED N#CCSCCCN[C@H]1CCC[C@H]1Cc1ccccc1 191367266 MYMHSXAAJPHGGF-IRXDYDNUSA-N 288.460 3.634 30 20 CHED CCC[C@@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2o1 194583319 SZDUONFDKOXOJC-NEPJUHHUSA-N 270.332 3.830 30 20 CHED CCCCN(C(=O)c1ccccc1OCC#N)[C@@H](C)CC 194188016 MQVAYPBGBMBBLW-AWEZNQCLSA-N 288.391 3.630 30 20 CHED Cc1ccc(Cl)c(OC(=O)Cc2ccc(C#N)cc2)c1 194709849 SNAOVJHZTWFWQG-UHFFFAOYSA-N 285.730 3.668 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1c(F)cc(F)cc1F 335862373 CJGMMNHHYJJBDS-SNVBAGLBSA-N 284.281 3.676 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1ccc(F)cc1 194586397 RUSFAQZRMWRTIN-JXMROGBWSA-N 251.260 3.593 30 20 CHED C[C@H](Sc1ccc(C#N)cn1)c1cccc(C#N)c1 335808147 ANTABLJNALOLEV-NSHDSACASA-N 265.341 3.678 30 20 CHED C=C[C@](C)(CC)c1nc([C@@H](C)c2nccs2)no1 424358415 ZSLDEGGLWLRLIG-NOZJJQNGSA-N 263.366 3.532 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cc(Cl)ccc1Cl 426753398 ICLWYQPIRSRNIM-SECBINFHSA-N 269.175 3.948 30 20 CHED C=CCCc1csc(-c2cccc([N+](=O)[O-])c2)n1 90065532 PZNUCTCXHABAKK-UHFFFAOYSA-N 260.318 3.837 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H]1CCCC(F)(F)C1 512733115 DTRYRBIQVSEFTD-NSHDSACASA-N 259.340 3.530 30 20 CHED Cc1cc(N2CCC(CCC#N)CC2)c(F)cc1[N+](=O)[O-] 515642761 QREWMWBZAKGVNI-UHFFFAOYSA-N 291.326 3.563 30 20 CHED CC[C@H](C)[C@H](C)/N=C(/O)c1cc(Cl)cc(F)c1N 330683800 JFYOTBJOTCBQHA-YUMQZZPRSA-N 272.751 3.801 30 20 CHED CN(C(=O)[C@@H](C#N)CCc1ccccc1)C1CCCCCC1 433235800 VZLZSRXNQRSSJW-QGZVFWFLSA-N 298.430 3.940 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(C(F)(F)F)s1 432745845 FRQIYNBHDSOYQU-QMMMGPOBSA-N 262.300 3.501 30 20 CHED CC(=O)c1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1 334449359 JTDWRHOELMTOPF-UHFFFAOYSA-N 298.729 3.667 30 20 CHED Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)c2cccnc12 334607283 DYGZTIKVSHXTMN-OLZOCXBDSA-N 251.333 3.647 30 20 CHED CCn1c(-c2ccc(C#N)c(C)c2)nc2ccccc21 435697697 OLJWRTYJLDGVNF-UHFFFAOYSA-N 261.328 3.903 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 520637625 WTRZKMJVHNLNBO-VIFPVBQESA-N 288.174 3.913 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C/C=C\c1ccc(F)cc1 439146624 IYDJMPWHCRWKKW-HSFFGMMNSA-N 294.285 3.517 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1nc(C2CC2)n2ccccc12 343239917 SCLPUZPADKMTQZ-CYBMUJFWSA-N 297.402 3.686 30 20 CHED C=CCN(CCc1ccco1)Cc1ncc(CC)s1 346311569 GNFYLXMLVKFZSK-UHFFFAOYSA-N 276.405 3.529 30 20 CHED C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1ccccc1 433103767 LVZOPDOJSLKNKD-CRAIPNDOSA-N 292.382 3.636 30 20 CHED CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(OC)cc1 248842267 NWPPFTNKSGQZKA-KMFMINBZSA-N 272.392 3.818 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C1C[C@H](C)C[C@@H](C)C1 348526735 WTERDOJIZSPLCY-ZIAGYGMSSA-N 278.440 3.990 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H](C)CCC1CCCCC1 609687815 UBNWFMLOAKHNAT-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED O=C(/C=C\c1ccc(Cl)s1)c1ccc(O)cc1O 255526680 AELUMGJQZMRAIY-DJWKRKHSSA-N 280.732 3.709 30 20 CHED N#Cc1cnc(N2CCC[C@H](c3ccccc3)C2)c(Cl)c1 431477172 KVVSSACCFWXXFU-HNNXBMFYSA-N 297.789 3.991 30 20 CHED C[C@H](CC(=O)N(CCC#N)Cc1ccco1)C(C)(C)C 342866970 NCGQNNQKMGUYLB-CYBMUJFWSA-N 276.380 3.594 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H](C)C1CCCCC1 446206043 LVNWRLQRVLPQFY-AWEZNQCLSA-N 266.429 3.953 30 20 CHED CC[C@](C)(C#N)c1nc(C2CCC(C)(C)CC2)no1 347482919 MANFJVUQMSUNKF-OAHLLOKOSA-N 261.369 3.945 30 20 CHED CC1(C)CCCN(CCCc2cccc(F)c2)[C@@H]1C#N 444732111 LIDJYHFTSKTMSD-MRXNPFEDSA-N 274.383 3.772 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 252099808 IFXDTFATVBDIFC-PEGIJTEDSA-N 298.308 3.945 30 20 CHED N#CC1CCC(N[C@@H]2CC[C@@H]2c2ccccc2)CC1 602718804 UHIAECYNODHJDV-OKEQZYBDSA-N 254.377 3.605 30 20 CHED C=CC(C)(C)CNC1CCN([C@@H]2CCCC[C@H]2C)CC1 449484145 FOELHYUQGKKZAK-NVXWUHKLSA-N 278.484 3.831 30 20 CHED Cc1cnc([C@H](C)CN[C@H]2CCc3ccc(C#N)cc32)s1 353661969 YYWTWONDMSZKSQ-BZNIZROVSA-N 297.427 3.704 30 20 CHED CCOc1cccc([C@@H](C)NC[C@@H](C)CCC#N)c1 602530157 DWVAYWNDJHDYAV-UONOGXRCSA-N 260.381 3.676 30 20 CHED C=CCC[C@H](CO)N[C@H](C)C1CCC(C(F)(F)F)CC1 449700258 SRPJYTZXWSUQAT-BLYZHGLHSA-N 293.373 3.660 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C(C)C)C1 444880558 SWWBDIMMXWHYJF-OAHLLOKOSA-N 285.391 3.767 30 20 CHED N#Cc1ccncc1N1CCC[C@@H](c2ccc(F)cc2)CC1 537571164 ACYWDGDQAKGWTF-CQSZACIVSA-N 295.361 3.866 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1CCC 604898347 RJMHJGOVVGVHED-MJBXVCDLSA-N 252.402 3.609 30 20 CHED C=CCN(CC(F)(F)F)C(=O)[C@H]1C[C@]1(C)c1ccccc1 448820377 DNRWPRQUBNZWFG-UKRRQHHQSA-N 297.320 3.541 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2cccc(Cl)c2)no1 264685068 QSZNUFSEGIQOPB-LLVKDONJSA-N 292.766 3.968 30 20 CHED C=CCCCOC(=O)c1cccn1Cc1ccccc1 261408725 DNCZHSCJRHVRCF-UHFFFAOYSA-N 269.344 3.659 30 20 CHED CC(C)(C)c1nnc(SCc2ccc(C#N)cc2F)o1 357747182 VOKAGCBRIHIOGX-UHFFFAOYSA-N 291.351 3.670 30 20 CHED Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC(C)(C)C)c1 442788389 FDNXSVXFGOTXPG-GOEBONIOSA-N 286.419 3.954 30 20 CHED C=CCCc1csc(-c2ccc3c(c2)OCCO3)n1 535592888 INIYGOWLTUUSCB-UHFFFAOYSA-N 273.357 3.700 30 20 CHED CCC1(CC)CN(c2nccnc2C#N)c2ccccc21 443702508 BXEWVUNEMLQKNI-UHFFFAOYSA-N 278.359 3.558 30 20 CHED C[C@@H](CC(=O)N(C)c1ccc(C#N)cc1)c1ccccc1 359730823 UBRQWZIIZDAGIW-AWEZNQCLSA-N 278.355 3.715 30 20 CHED CO[C@@H](CNC1CCC(C)(C#N)CC1)c1ccc(F)cc1 449170508 GIIGVWSCAFFEIX-CGZBRXJRSA-N 290.382 3.575 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)NC1CCC(C)CC1 358638152 VIXGMOUZODQATO-MOKVOYLWSA-N 269.454 3.769 30 20 CHED C=CCC1(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CCOCC1 618248547 LKDWELIAMSBDNL-WKILWMFISA-N 293.451 3.690 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@H]2OCC[C@@H]12 449181419 HHICZPINXYCSLA-CAOSSQGBSA-N 251.414 3.669 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)C1CCSCC1 618804557 BANLOBSTAVWVST-YVEFUNNKSA-N 286.444 3.667 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1 610540937 RWNODPBOSJHRDQ-HIFRSBDPSA-N 288.391 3.532 30 20 CHED C[C@]1(C#N)CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 612107043 ABVVJAADQDNDRT-CQSZACIVSA-N 293.292 3.707 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC[C@H]1CCCOC1 610897180 RIBHFNZODRRIRV-UONOGXRCSA-N 290.432 3.777 30 20 CHED Cc1cc([C@@H](C)NC(=O)C2(C#N)CCCCC2)ccc1F 267735023 SSUJTVWSZGRNTN-CYBMUJFWSA-N 288.366 3.785 30 20 CHED CC(C)CC1(CNCc2ccc(C#N)s2)CCC1 537324183 SCDLHPJOLDKWRO-UHFFFAOYSA-N 262.422 3.926 30 20 CHED CCCC1(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CCC1 610720764 SGROKQMYWQNMNB-AWEZNQCLSA-N 299.418 3.889 30 20 CHED C=CCC1(CNC(=O)N(C)Cc2occc2C)CCCC1 455466149 QUVLMEURBWUVHD-UHFFFAOYSA-N 290.407 3.866 30 20 CHED CCc1cccc(OCCN[C@@H](C)c2cccc(C#N)c2)c1 611387612 QOJSBLNBXXGKOZ-HNNXBMFYSA-N 294.398 3.850 30 20 CHED CCN(CCC#N)C(=O)C(C)(C)c1ccc2ccccc2c1 611211708 CMCAPSVYRQBXGF-UHFFFAOYSA-N 294.398 3.880 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@@H](SC)C1 452552657 OEDZRBFBVCLVEP-GFCCVEGCSA-N 293.457 3.542 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(-c3cnco3)c2)C1 617777534 RCOYXLCASWKDNY-CQSZACIVSA-N 296.370 3.770 30 20 CHED FC(F)c1cccc(CO/N=C2/CCCOCC2)c1 279844546 HSHUTLNCGYVUMY-LGMDPLHJSA-N 269.291 3.697 30 20 CHED C=C(CC)CNC(=O)Cc1coc2c(C)c(C)ccc12 456828314 LGXNPPDTGQRGBZ-UHFFFAOYSA-N 271.360 3.675 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1CCCc2ccccc21 274313600 ISQNMRXZRMAOMK-CRAIPNDOSA-N 284.403 3.551 30 20 CHED CCC[C@H](NC(=O)Cc1ccc(C#N)cc1)C1CCCC1 458337858 LIXRTKQMBYCIJX-KRWDZBQOSA-N 284.403 3.576 30 20 CHED C=CCC(C)(C)c1noc(COCC2CCCC2)n1 453191573 WUBKLDYPDFMZPZ-UHFFFAOYSA-N 264.369 3.630 30 20 CHED C#CCCCC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 277248355 PKTWHBWLIVMNEY-UHFFFAOYSA-N 286.158 3.744 30 20 CHED COc1cc(C#N)ccc1NC(=O)C(C)(C)CC(C)C 546004013 FSGLEDZTEDPEDP-UHFFFAOYSA-N 274.364 3.578 30 20 CHED C#CCCCC(=O)Nc1ccccc1NC(C)(C)C 277282714 IMEPFGGIJKNJMV-UHFFFAOYSA-N 258.365 3.639 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 455313530 QVIUXIBYSBXEFK-UHFFFAOYSA-N 299.418 3.692 30 20 CHED C[C@H](NC(=O)N1CC[C@H](C)C(C)(C)C1)c1ccc(C#N)cc1 546109959 VOPZOMVMJVHENT-KBPBESRZSA-N 299.418 3.697 30 20 CHED COc1ccc2c(c1)OCC[C@H]2Nc1ccc(C#N)cc1F 363559887 SUOHHEVREGHDAV-OAHLLOKOSA-N 298.317 3.642 30 20 CHED Cc1c(Cl)cnc(N2CCc3ccccc3CC2)c1C#N 542278679 GPYIGUQDAVUBJM-UHFFFAOYSA-N 297.789 3.520 30 20 CHED C=CCCN(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc12 276099022 FJLYFWAWTCFELS-UHFFFAOYSA-N 298.361 3.899 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Cc1ccc(C)cc1 452777419 UVSPKEGREKTFGZ-AWEZNQCLSA-N 259.393 3.502 30 20 CHED C=C(CNC(=O)c1sc(C)cc1OC)c1ccccc1 360227563 VUHMIXPSQHEGNM-UHFFFAOYSA-N 287.384 3.508 30 20 CHED C=C[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1C 362598229 CWDKDDVXOCIDQG-SECBINFHSA-N 290.750 3.608 30 20 CHED C=CCC1(CNC(=O)CC[C@H]2CC[C@@H](C)O2)CCCC1 456482208 DCWKTBQREPMCLZ-HUUCEWRRSA-N 279.424 3.587 30 20 CHED C=CCOc1cccc(CNCC[C@@H]2CCO[C@@H](C)C2)c1 544167075 ZQMZEFXXGVJRCZ-JKSUJKDBSA-N 289.419 3.546 30 20 CHED C=CCCCC(=O)N[C@](C)(Cc1ccccc1)C1CC1 457044944 NQEQJDCZSJDYQE-GOSISDBHSA-N 271.404 3.870 30 20 CHED C[C@@H](CN(C)c1cccc(Cl)c1C#N)c1nccs1 450439329 MJMWJJUVHUQPTE-JTQLQIEISA-N 291.807 3.908 30 20 CHED COC(=O)c1cccc(CNc2cccc(C)c2C)c1C#N 549825045 XAQOSQWLOOTWPG-UHFFFAOYSA-N 294.354 3.574 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccccc1O 272926777 YYNZJQHWSGLVEW-ZDUSSCGKSA-N 278.355 3.604 30 20 CHED C[C@H](Nc1cccc2c1OCCC2=O)c1ccc(C#N)cc1 368016131 BMEKVAYYQPNZRQ-LBPRGKRZSA-N 292.338 3.697 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F 629273822 SKBOGCMKNFINTD-GOEBONIOSA-N 291.341 3.705 30 20 CHED C=CC1CCN(Cc2ccc(-n3ccnc3)cc2C)CC1 361826665 ATLTWZLGZRUAGM-UHFFFAOYSA-N 281.403 3.579 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2c(Cl)cccc21 458983652 DZAGNUDCICKAMS-UHFFFAOYSA-N 278.783 3.624 30 20 CHED CC(C)C[C@@H]1C[C@H](Nc2ccc(C#N)cc2F)CCO1 540691347 AWVQJJLKFFTNOG-ZIAGYGMSSA-N 276.355 3.703 30 20 CHED C=CCCCCNC(=O)c1cccc(F)c1Cl 274466624 KZDMXVXBSKXTAO-UHFFFAOYSA-N 255.720 3.565 30 20 CHED C=CC1CCN(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)CC1 548512825 HYZXZVGHQMHLBK-LLVKDONJSA-N 292.345 3.571 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 465251825 IRCQTWUXVOTVFT-SNVBAGLBSA-N 287.363 3.821 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 464756742 QZTJKSAJJWZFGC-GUYCJALGSA-N 298.361 3.789 30 20 CHED CCOc1ccccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 463073355 YTPGXOWQMVKVTI-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED Cc1ccc(Cc2noc(C3(C#N)CCCCC3)n2)s1 289045601 HGVORXSYRRJRQD-UHFFFAOYSA-N 287.388 3.756 30 20 CHED C[C@H](NCCC#N)[C@@H](C)c1ccccc1C(F)(F)F 280550737 JZSSBUUXYXXAPJ-MNOVXSKESA-N 270.298 3.701 30 20 CHED N#Cc1cc(N(C#N)C/C=C/c2ccccc2)ccc1F 467767336 FEYBMLGTOYRNGB-QPJJXVBHSA-N 277.302 3.698 30 20 CHED C=C(C)CCc1noc(CCSCCCC)n1 284960739 ANGKGYBBFSKOJZ-UHFFFAOYSA-N 254.399 3.654 30 20 CHED CN(Cc1c(F)cccc1Cl)[C@@H]1CC[C@@H](C#N)C1 284293107 ODWCFKXCSMOAAB-GHMZBOCLSA-N 266.747 3.603 30 20 CHED CC[C@H](NCc1ccn(C(C)C)n1)c1ccc(C#N)cc1 559985417 YTWCENKQLUBQBK-KRWDZBQOSA-N 282.391 3.577 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc3[nH]ccc3c2)no1 288935689 JBDCPYJOJHXHLF-UKRRQHHQSA-N 295.342 3.667 30 20 CHED CCC[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462196925 RYPCSUUCZIMNHG-GJZGRUSLSA-N 284.403 3.700 30 20 CHED CCc1nc2ccccc2c(N(C)C[C@@H](C)C#N)c1C 554286876 ODDGTHPYKWRDNQ-LBPRGKRZSA-N 267.376 3.702 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCc2c[nH]c3ccc(F)cc23)C1 282961599 ZRSRMCUEWMDPLN-CJNGLKHVSA-N 299.393 3.912 30 20 CHED C=CCCCCCCN[C@@H](c1cccnc1)c1ncc[nH]1 286908701 DYVSVPMAOCZQRJ-INIZCTEOSA-N 284.407 3.620 30 20 CHED C=CC[C@@H](C)N[C@@H](COC)c1cccc(Cl)c1 554989084 VEKVFLZKGCVDPB-RISCZKNCSA-N 253.773 3.582 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2c[nH]c3ccccc23)no1 289187510 XANUUNNCBPJPIP-IUODEOHRSA-N 295.342 3.667 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)CCC[C@H]1C 472832313 ICQMMFABPMNTRG-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C=CCC(C)(C)c1noc(COc2cc(F)cc(F)c2)n1 551495796 CURWHPYSAIZYSG-UHFFFAOYSA-N 294.301 3.781 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)[C@H](C)C1CCCCC1 556880276 YGTPYUBSZKZPLR-WOSRLPQWSA-N 264.413 3.647 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(CC2=CCCCC2)no1 290253403 ZZCWSRBBUBRMMV-UKRRQHHQSA-N 274.364 3.561 30 20 CHED COc1cccc(N=C2NN=C(CC(C)(C)C)CS2)c1 806548358 CKHOQVMEULXPRA-UHFFFAOYSA-N 291.420 3.811 30 20 CHED Cc1cc(C)nc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1 802101658 ROELFNNRRYPJKA-LBPRGKRZSA-N 299.399 3.768 30 20 CHED CC#CCCOC(=O)c1cc(F)c(C(F)(F)F)cc1F 805594345 QCVQATFCPLDYGO-UHFFFAOYSA-N 292.203 3.554 30 20 CHED C=C(C)CN(C)C(=O)Nc1cnn([C@H](C)c2ccccc2)c1 646451229 LQPKVXNBSGFSPO-CQSZACIVSA-N 298.390 3.532 30 20 CHED C=C(C)CN(C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 470204911 BRLCPRURMGVLNV-MDWZMJQESA-N 260.337 3.506 30 20 CHED C[C@@H](C#N)OCCSCc1cccc(Cl)c1 801657443 KNABQSLXQQRKTQ-JTQLQIEISA-N 255.770 3.502 30 20 CHED C=CC[C@H](C)[C@H](C)NCC1(C)CCC(OC)CC1 475201503 IVVSFTDMTSQCJE-FXQLRMTLSA-N 253.430 3.772 30 20 CHED N#CCCCC(=O)NC1(c2ccc(Cl)cc2)CCC1 292240253 GINWEXUWYGMCGR-UHFFFAOYSA-N 276.767 3.529 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCSc2ccccc21 292545673 WWZLCIGNQJGIBX-CYBMUJFWSA-N 275.417 3.942 30 20 CHED C#CCCc1noc(CCC[C@H](C)c2cccc(OC)c2)n1 809397976 LVPVTMNCMNAHES-AWEZNQCLSA-N 298.386 3.770 30 20 CHED Cc1ccoc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 292065664 KPYAVZTVQBMUPY-UHFFFAOYSA-N 297.358 3.711 30 20 CHED C=C(C/N=C/c1cc(OC)ccc1O)c1ccccc1 806550232 JXTWGULXKVVRGO-LDADJPATSA-N 267.328 3.533 30 20 CHED C=CCCCCCCNC(=O)Nc1cccnc1Cl 806226329 QUWVLKZYSIRNJI-UHFFFAOYSA-N 281.787 3.993 30 20 CHED C=CCN1CCC(NC(=O)C[C@H](C)CCC=C(C)C)CC1 648773458 LBWWHJFCQCVSFN-MRXNPFEDSA-N 292.467 3.526 30 20 CHED C=CCN(C(=O)c1cc(C(C)(C)C)n[nH]1)c1ccccc1 647741909 PFDWYSHUHZIGBW-UHFFFAOYSA-N 283.375 3.540 30 20 CHED O=C(/C=C/c1cc(F)ncc1F)c1ccc(F)c(F)c1 806568618 ZXOFGGSHVVKNKA-DUXPYHPUSA-N 281.208 3.534 30 20 CHED Cc1cc(COC(=O)[C@]2(C#N)CC23CCCC3)cs1 297780770 NKTTYAJDQJPGPA-OAHLLOKOSA-N 275.373 3.574 30 20 CHED C#Cc1ccc(CN[C@H](CC)c2ccccc2OC)cc1 809605817 OPWJBWKEBFVAAE-GOSISDBHSA-N 279.383 3.917 30 20 CHED CN(Cc1ccccc1N(C)C)CC(C)(C)CCC#N 290009413 DMEZPMDLIHNXQK-UHFFFAOYSA-N 273.424 3.514 30 20 CHED CC[C@H]1CN(c2ccnc(C#N)c2)CC[C@@H]1c1ccccc1 561263095 PJHUCSBRZKILNI-KXBFYZLASA-N 291.398 3.973 30 20 CHED C#C[C@H](NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)C(C)(C)C 808278935 MWJHXFQCBILESU-YCPHGPKFSA-N 286.419 3.526 30 20 CHED C=C(C)COC(=O)c1c[nH]c2ccc(Br)cc12 805562759 VZYLPURNJFNQPS-UHFFFAOYSA-N 294.148 3.663 30 20 CHED CC[C@H](CC#N)NCCCc1ccccc1Cl 569707040 XDFHPQOEZJSZOP-CYBMUJFWSA-N 250.773 3.554 30 20 CHED C[C@H](NC(=O)c1cscc1C#N)[C@@H](C)C1CCCCC1 569832306 BGNLAAYSHWADHZ-NEPJUHHUSA-N 290.432 3.954 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1c[nH]nc1C 814811832 VVALAPAOBLKRBB-LBPRGKRZSA-N 284.407 3.916 30 20 CHED C=CCCCCN1CCCN(C(C)=O)c2ccccc21 649384289 XWJZJPVLOPGHPM-UHFFFAOYSA-N 272.392 3.606 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(F)cc2F)ccc1C#N 488103806 SGNYRKLKLMTTFP-LBPRGKRZSA-N 286.325 3.996 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl 484327825 XINYLOIWYMTTEW-IAQYHMDHSA-N 276.767 3.832 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(Cl)c([N+](=O)[O-])c1 811670903 IBYQZGRZRQZDMH-MSVOIAIGSA-N 289.118 3.741 30 20 CHED C=CCCN(C)Cc1cncc(OCc2ccccc2)c1 488994943 SUQRWDDLZNZUKW-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C#C[C@@H](Nc1nccc(C)c1C#N)c1ccc(Cl)cc1 811861767 NMHPWRDKONEZLI-OAHLLOKOSA-N 281.746 3.702 30 20 CHED Fc1cc(F)c(NN=C2CC[C@@H]2C2CC2)cc1F 814849768 JZHMEUCJSUERTI-MRVPVSSYSA-N 254.255 3.692 30 20 CHED C=CCC(F)(F)C(=O)N1CCCCC[C@H]1c1ccncc1 815021757 TVKWRQHQEGCIBT-AWEZNQCLSA-N 294.345 3.737 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)s2)c2cccc(F)c2O1 482494098 ZCICOMBQBJTDCR-JTQLQIEISA-N 288.347 3.546 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@H]1CCC(C)(C)O1 480507983 BZIANCUAVZTUTO-QGZVFWFLSA-N 286.419 3.728 30 20 CHED C=CCCCCCCCNC(=O)N1CCC=C(F)C1 812495485 PUTAEDMXLZGSAF-UHFFFAOYSA-N 268.376 3.782 30 20 CHED CCN(CCC#N)C(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 488743433 AFPSDFDOVYOEQO-LSDHHAIUSA-N 284.403 3.738 30 20 CHED N#Cc1ccc([C@@H](O)CNc2ccc(C3CC3)cc2)cc1 819465572 ABUZLOGLXIAFLC-SFHVURJKSA-N 278.355 3.581 30 20 CHED Brc1cc(C=NOCCC2CC2)cs1 814245934 OIXCDMRHJVJZRF-UHFFFAOYSA-N 274.183 3.661 30 20 CHED C=C(CC)COc1cccc2c1[C@@H](O)CC(C)(C)O2 810010005 BMNLVHATMVGXMO-LBPRGKRZSA-N 262.349 3.626 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C(C)C)n(C)n1 811589858 JIMGCGRSKDLNPC-UHFFFAOYSA-N 291.439 3.800 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)OC1CCCCC1 488874834 FLVKEZULTMSHQL-GOEBONIOSA-N 279.424 3.681 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2nc(C)ccc2c1 488884715 YUCLJJZEOLKEQR-MRXNPFEDSA-N 280.371 3.724 30 20 CHED CC(C)CCC=NNc1ccc(Cl)c(C(=O)O)c1 814690202 XXEOIVUIANOPMJ-UHFFFAOYSA-N 268.744 3.872 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNC[C@H]1CCSC1 811662103 CHNDIISZCBYZFJ-YNEHKIRRSA-N 254.443 3.531 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2CCc2ccccc2)nc1 570695019 PHGUFQIYOXRLBA-LJQANCHMSA-N 291.398 3.550 30 20 CHED C=C1CCN(C(=O)CCCOc2ccc(C)cc2C)CC1 481781985 DDQCLRZIPURFHI-UHFFFAOYSA-N 287.403 3.641 30 20 CHED CC#CCN(C)C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 579156013 UCBCRUYXUKDSFQ-CQSZACIVSA-N 297.320 3.681 30 20 CHED Fc1ccc(NN=Cc2ccc3[nH]ccc3c2)c(F)c1 811629341 XEFWOSFKISNZNG-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C=CCC(C)(C)COC(=O)c1cc2ccccc2nc1O 814005091 IRPCLGZQNQNFBE-UHFFFAOYSA-N 285.343 3.700 30 20 CHED CC[C@H](C)CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 480110999 RTZAGBVJKULZIA-GWCFXTLKSA-N 298.308 3.822 30 20 CHED C=CCCCCOC(=O)c1c(C)nn(C(C)(C)C)c1C 811011773 MHWZNMIMQOGFTL-UHFFFAOYSA-N 278.396 3.768 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(F)c(C#N)c2)cc1 486721989 IYRPQVAOCXPWPT-CYBMUJFWSA-N 296.345 3.823 30 20 CHED CC#CCCCc1nc(C(C)(C)c2ccccc2OC)no1 571243943 PJVJJZKTHVYPOZ-UHFFFAOYSA-N 298.386 3.750 30 20 CHED C[C@@]1(CCOC(=O)c2cccc(F)c2C#N)C[C@@]1(F)Cl 822049523 PUNBSWJIWGKFGW-KGLIPLIRSA-N 299.704 3.559 30 20 CHED CCC(CC)N(CC)C(=O)Nc1ccc(F)c(C#N)c1 572402181 YLSMFSWAEHQWNY-UHFFFAOYSA-N 277.343 3.740 30 20 CHED CC(Cc1cccs1)=NNc1nc2ccccc2[nH]1 729632877 JELIBZXTDUEXHC-UHFFFAOYSA-N 270.361 3.655 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1 573812688 BFUVBWBBXSPMIJ-XWTMOSNGSA-N 296.414 3.708 30 20 CHED C=C(C)Cn1c(N2CCC3(CCC3)C2)nnc1C(C)(C)C 575140975 DGGMPULGQAITFO-UHFFFAOYSA-N 288.439 3.532 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccccc1OC1CC1 490098264 BUWYZULPTAABCU-UHFFFAOYSA-N 273.376 3.560 30 20 CHED C=CCn1cccc1C(=O)N1CCCc2ccc(C)cc21 490022245 BDJSTGIUXCYWEL-UHFFFAOYSA-N 280.371 3.576 30 20 CHED C#CCOc1ccccc1NC(=O)N1CCC[C@H](CC=C)C1 822754199 KNNJDQBZZCWDPI-HNNXBMFYSA-N 298.386 3.519 30 20 CHED C[C@@H](C#N)OCCN(C1CCCC1)[C@H](C)c1ccccc1 823110484 VYJQAFXLDBKVNJ-JKSUJKDBSA-N 286.419 3.921 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)CCCCCC#N 588157958 USPBMOYRJLOHJP-GJZGRUSLSA-N 264.413 3.793 30 20 CHED CCOC(=O)[C@H](CC)SCCCCC1(C#N)CCC1 901504592 FVPRTZLJNHDNTM-ZDUSSCGKSA-N 283.437 3.925 30 20 CHED C#Cc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cn1 728799384 WRGHXHNGTPDZSS-UHFFFAOYSA-N 292.121 3.589 30 20 CHED C=CCC[C@@H](Nc1ccc(C)c(N2CCNC2=O)c1)C1CC1 494446550 VROXMKQGSJFHPZ-MRXNPFEDSA-N 299.418 3.681 30 20 CHED CC(C)(C#N)CN[C@@H]1C[C@H](c2ccccc2)C1(C)C 903100510 QPIJKJCKHUWXTI-HUUCEWRRSA-N 256.393 3.708 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 901081378 HLZVTIFWWIJXPX-LBPRGKRZSA-N 291.366 3.506 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)C#N)c(Cl)c1 903101659 KNUKYEOZAQEJPY-JTQLQIEISA-N 266.772 3.549 30 20 CHED N#CC1(c2cccc(-c3cncc(OC(F)F)c3)c2)CC1 906210026 YHGPVLYCXHXKNQ-UHFFFAOYSA-N 286.281 3.905 30 20 CHED C=CCCCCCN(C)C[C@H](O)c1ccc(F)cc1F 739931595 TZWUKHCTKDFSDE-INIZCTEOSA-N 283.362 3.676 30 20 CHED C=CCC1(C(=O)OCc2noc(C(C)C)n2)CCCCC1 838151613 NFSJYDKJHGGXEP-UHFFFAOYSA-N 292.379 3.763 30 20 CHED C=C1CCC(C(=O)Nc2ccc(C(=O)O)cc2CC)CC1 905005667 HVBKFHQPHNFIFD-UHFFFAOYSA-N 287.359 3.632 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2ccc(Cl)cc2)C1 839040742 AYXHDSMPLLIMJX-GXTWGEPZSA-N 277.751 3.508 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 834881637 CNMAPAFAJVVFFM-HNNXBMFYSA-N 299.418 3.557 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C(=O)O)c1cc(C)cc(C)c1 901532060 OJZAKQYCEPIYNR-SQWLQELKSA-N 275.392 3.619 30 20 CHED N#CCCCCCc1nc(-c2ccc3ncccc3c2)no1 589100724 JAEBQYXSYYNJGQ-UHFFFAOYSA-N 292.342 3.911 30 20 CHED C#Cc1cccc(N(CC)CCCCCC(=O)OCC)c1 735492473 RRUUDRYXCOSLIF-UHFFFAOYSA-N 287.403 3.618 30 20 CHED C[C@@H](OC(=O)[C@H](C)C1CCC1)c1ccc(C#N)cc1 838389609 UCZHSFMYCRBNSK-VXGBXAGGSA-N 257.333 3.599 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC(F)(F)C2)c1 675686712 GRBBZWHRJAUTCY-GFCCVEGCSA-N 296.317 3.561 30 20 CHED C=CCC1(C(=O)OCCCCCn2cccn2)CCCC1 838281092 YCHINEHIQVEBFO-UHFFFAOYSA-N 290.407 3.733 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1csc(C(C)C)n1 834997832 KRMOXQQNCIUQJO-QMMMGPOBSA-N 279.331 3.531 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC(C3CCCCC3)C2)cc1 839136426 PLNGRPUMCBHVGD-OAHLLOKOSA-N 298.430 3.990 30 20 CHED C[C@H](OC(=O)[C@@H](C)C1CCC1)c1cccc(C#N)c1 838390045 VVEGIPAMAGYGED-RYUDHWBXSA-N 257.333 3.599 30 20 CHED C=C(C)CN(C)Cc1c(Cl)cccc1OC(F)F 679362494 YEAMYFRVRPCFPH-UHFFFAOYSA-N 275.726 3.949 30 20 CHED COc1ccc([C@H]2CCCN2CCC(C)(C)C#N)cc1F 595754199 WQJCJBAJCAKMMS-OAHLLOKOSA-N 290.382 3.911 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1COC(C)(C)CC 593605141 YALWMPMQGUDNCT-ZDUSSCGKSA-N 288.391 3.880 30 20 CHED COc1ccc2c(c1)O/C(=C\c1cccc(F)c1F)C2=O 749132232 KLACOROPOMEACR-AUWJEWJLSA-N 288.249 3.590 30 20 CHED CCC[C@@H](C(=O)NC1(C#N)CCC1)c1cccc(Cl)c1 599183561 YCDWJKVBLQYQTQ-CQSZACIVSA-N 290.794 3.786 30 20 CHED C[C@H](NN=Cc1cc(Cl)ccc1Cl)C(F)(F)F 834999650 GCTOWABEENRKGH-LURJTMIESA-N 285.096 3.868 30 20 CHED C=CCCO[C@@H](C)C(=O)OCCCc1ccc(Cl)cc1 740958427 QXJNBLHPSHOWDJ-ZDUSSCGKSA-N 296.794 3.797 30 20 CHED N#Cc1ccc(C=NNc2ccc3ccccc3n2)s1 748778436 KASVZIHQMOWSGG-UHFFFAOYSA-N 278.340 3.614 30 20 CHED C=C(CNC(=O)c1ccc(F)cc1Cl)c1ccccc1 672480410 ABJMHYZZWQGQCZ-UHFFFAOYSA-N 289.737 3.922 30 20 CHED Cc1ccc(C#N)cc1-c1cccc(CO[C@H]2CCOC2)c1 593950848 AXAUHTQPWIVQIJ-SFHVURJKSA-N 293.366 3.839 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1sc2ccccc2c1Cl 847173224 PEBFGUSNRVGUFJ-VIFPVBQESA-N 292.791 3.929 30 20 CHED C=CCC[C@H](CCC)NCCc1cn2cccc(C)c2n1 675926631 UXUGQFSTYUMJEG-INIZCTEOSA-N 285.435 3.910 30 20 CHED CCCCC[C@@H](C)CC(=O)Nc1ccc(C#N)c(C#N)c1 744368176 DEMCIVKNMYUUNA-CYBMUJFWSA-N 283.375 3.975 30 20 CHED C=CCNC(=S)N(CCC)c1ccc(CC)cc1 840800309 LSQXXAFTBGTURV-UHFFFAOYSA-N 262.422 3.526 30 20 CHED CC(C)(C)c1ncc(/C=C\C(=O)C2CCCCC2)cn1 840715900 SNXXMHJQQKVZQA-KTKRTIGZSA-N 272.392 3.937 30 20 CHED Oc1ccccc1/C=N\C[C@@H]1CCCCC1(F)F 840706804 KJXLHXYRFMQLMT-CHROMADKSA-N 253.292 3.637 30 20 CHED CCC(C)(C)OCC(=O)OCCC1(C#N)CCCCC1 840583395 LNQZUANWIDMARM-UHFFFAOYSA-N 281.396 3.599 30 20 CHED Cc1ccc(N(C)C(=O)c2sccc2C#N)cc1C 748053640 VJYHCUDXDNMOSN-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CCn1c(S[C@@H](C#N)c2ccccc2)nnc1C1CC1 594882205 QYYURHQJSKRJJP-ZDUSSCGKSA-N 284.388 3.532 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCCC[C@@H]2C)o1 745625639 YRWMDEJDJQVJPI-JTQLQIEISA-N 260.341 3.648 30 20 CHED CCc1noc(C)c1C/N=C/c1cc(Cl)ccc1O 840705017 DMPDFVRULKHGIL-FRKPEAEDSA-N 278.739 3.524 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1ncc(Cl)n1C)C2=O 848642500 GNCVGARYMRUKBQ-KPKJPENVSA-N 286.762 3.513 30 20 CHED C#CCN(C(=O)/C=C\c1ccccc1F)C1CCCCC1 743691961 CFQJSSZKGKHIEI-SEYXRHQNSA-N 285.362 3.633 30 20 CHED N#CCOc1ccc(CN2CCCCc3ccccc32)cc1 746477724 CQJANLIMUYTXPZ-UHFFFAOYSA-N 292.382 3.932 30 20 CHED CCCCCC[C@H](C)NN=Cc1cnc2ccccc2n1 743451058 YUIJGITZSRLXEC-AWEZNQCLSA-N 284.407 3.912 30 20 CHED CCCN(Cc1ccc(N(C)CCC#N)cc1)C(C)C 848923325 JDRYRDKIJKGJAH-UHFFFAOYSA-N 273.424 3.657 30 20 CHED C=CCC[C@@H](NCCc1ccc(C#N)cc1)c1ccco1 595055766 IUVZFHZVDQYGLA-QGZVFWFLSA-N 280.371 3.991 30 20 CHED CC[C@H](NC[C@H](OC)C1CCCC1)c1ccc(C#N)cc1 595093471 BFLBILBVSZBIBB-ROUUACIJSA-N 286.419 3.804 30 20 CHED COc1ccc(C=NOCc2cccnc2)c2ccccc12 746586244 UIVOUJAHXYPOSM-UHFFFAOYSA-N 292.338 3.794 30 20 CHED CC(C)Cc1c[nH]c(C(=O)N[C@H](C)c2cccc(C#N)c2)c1 591066815 WTTOGVYPUNGOIY-CYBMUJFWSA-N 295.386 3.576 30 20 CHED C=CC[C@H](C)N[C@H](c1ccccn1)c1ccccc1OC 925425416 FZUYKEZJKWOEDZ-KSSFIOAISA-N 282.387 3.734 30 20 CHED CCS[C@@H]1CCCC[C@H]1N[C@H](C)CC(C)(C)C#N 925227333 UBLNBSBFXOQCND-MGPQQGTHSA-N 268.470 3.969 30 20 CHED CC[C@@H](C#N)Sc1nnc(NCc2cccs2)s1 920236471 PCZDHAWQLICZDR-QMMMGPOBSA-N 296.446 3.606 30 20 CHED Cc1ccc(-c2ccc(C=Nn3c(C)nnc3C)s2)cc1 920483294 YQKHXHNNWQWDLE-UHFFFAOYSA-N 296.399 3.814 30 20 CHED C#CCN(C(=O)N[C@H](C)c1ccc(SC)cc1)C(C)C 922344688 JRJPMAVOCJYELP-CYBMUJFWSA-N 290.432 3.523 30 20 CHED O=C(O)c1ccccc1NN=CCCCOc1ccccc1 755600044 FCPKXPDPJOZZRI-UHFFFAOYSA-N 298.342 3.642 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)Cc2ccccc2F)c1 920173562 TYTJNCSKMSCDIA-MKFNJMOCSA-N 287.334 3.590 30 20 CHED N#C[C@H](OC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)C1CCCCC1 859855503 RMZZUWPYEMQGNR-VSZNYVQBSA-N 295.382 3.588 30 20 CHED CCCc1ccc(/C=C2/CCc3nn(C)cc3C2=O)s1 857202854 VBCWPHAUDUZRHO-LUAWRHEFSA-N 286.400 3.647 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCOc1ccccc1F 920942092 KKJYTOZNXPKWFI-VCHYOVAHSA-N 293.725 3.683 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@@H]([C@@H](C)O)C1 753217090 ZBVAGTIGQFZPQI-HZPDHXFCSA-N 298.471 3.539 30 20 CHED CC[C@@H](C)C=NNc1nc(C(F)(F)F)cs1 755770597 LPADEEOXSJKUAK-ZCFIWIBFSA-N 251.277 3.606 30 20 CHED CCOc1ccc(C#N)cc1NC[C@H]1CC1(Cl)Cl 920403042 SVQCNICBCPWODW-SNVBAGLBSA-N 285.174 3.563 30 20 CHED C=CCCCCCCNC(=O)N1CCC(F)(F)C[C@@H]1C 858457735 UFXJMMHVUNDMMD-ZDUSSCGKSA-N 288.382 3.952 30 20 CHED C[C@H]1c2ccc(Cl)n2CCN1CCc1ccc(C#N)cc1 851870509 GOOKWEFJWVJYRA-ZDUSSCGKSA-N 299.805 3.632 30 20 CHED CCc1nc2c(s1)C(=NNC(CC)CC)CCC2 756829466 PUKFICWTWFMECY-UHFFFAOYSA-N 265.426 3.524 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(F)ccc2O)s1 757467767 KTFUNJPYYKZSGB-ALCCZGGFSA-N 262.305 3.797 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C/c1ccsc1 759608491 JQBDXOSXXPCXOB-GQCTYLIASA-N 297.383 3.703 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(O)c(F)c1 755595313 YDTOQYUSPRBFCZ-HYXAFXHYSA-N 262.305 3.797 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccccc1SCc1ccco1 754366899 NRRNJYLENUZQAE-ZDUSSCGKSA-N 299.395 3.714 30 20 CHED CCCc1sc(C(=O)O[C@@H](C#N)CC)cc1CC 753421433 CVPXGFNBHIOUIP-LLVKDONJSA-N 265.378 3.722 30 20 CHED C=CCCCCCOc1cccc(OC(=O)NC)c1 853744568 SFIMJIWJEMTBQB-UHFFFAOYSA-N 263.337 3.530 30 20 CHED C=CCCC(C)=NNC(=S)Nc1ccc(OCC)cc1 758072828 GSAKMAABXOGRDX-UHFFFAOYSA-N 291.420 3.714 30 20 CHED CC1(C)CCC[C@@H](C=NNC(=S)Nc2cccnc2)C1 752718789 MTNWBBOYLQYWCV-GFCCVEGCSA-N 290.436 3.570 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 934212159 MYDZDQSOXHJXLF-STQMWFEESA-N 290.363 3.683 30 20 CHED N#CC1(CCCCN2C[C@H](O)C[C@@H]2c2ccccc2)CCC1 930716570 YUAZAXDKDJHMGM-QZTJIDSGSA-N 298.430 3.658 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1ccoc1Cl 764745956 WYEFQSGKJDWYLH-UHFFFAOYSA-N 292.718 3.889 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2cc(C#N)ccc2C)s1 930513671 POSILAROBPSNJA-GFCCVEGCSA-N 284.384 3.728 30 20 CHED CCOc1cccc(/C=C\C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 860825825 QAPMDCILYPLDFA-HXNUIPBLSA-N 299.370 3.724 30 20 CHED CC[C@H](NCCCCC#N)c1cc(F)ccc1OC 932476396 BZCDXIWWJQWDJW-AWEZNQCLSA-N 264.344 3.569 30 20 CHED C[C@H]1CCCCC1=NNc1cc(C#N)cc(Cl)n1 768381550 JFDGXLFTFKSEIM-VIFPVBQESA-N 262.744 3.585 30 20 CHED Cn1cnc2cc(/C=C/C(=O)c3ccc(F)cc3F)ccc21 761199971 IBNGDOCGWGGAJA-XVNBXDOJSA-N 298.292 3.748 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(C)cc1CN(C)C 932806213 QEAWRMKOKAHOTH-AWEZNQCLSA-N 274.408 3.597 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1cnn(C)c1 761860997 ROISGTYZFMVADL-UHFFFAOYSA-N 270.380 3.576 30 20 CHED CCC(C=NNCc1cnc2ccccc2c1)CC 764777559 DKHICWNYCVFSRQ-UHFFFAOYSA-N 255.365 3.746 30 20 CHED CN(C(=O)c1ccsc1Cl)c1ccccc1C#N 1533821427 JAWMMQQIJRQWQN-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CC1(C)CC(=NOCC(F)(F)F)c2ccc(F)cc2O1 764835190 JLRYRKRGBUIJFR-UHFFFAOYSA-N 291.244 3.670 30 20 CHED CCN(CC)c1ccc(CN(CCC#N)CC(C)C)cc1 768155210 VGBPXELDHGSOMS-UHFFFAOYSA-N 287.451 3.904 30 20 CHED O=C(O)c1cccc(/C=C2/CCc3ccc(F)cc3C2=O)c1 774133248 BUHDIMPDDKFBJL-JYRVWZFOSA-N 296.297 3.736 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(-c2ncco2)cc1)C(C)(C)C 879071202 USVBYNBKTVHPBD-AWEZNQCLSA-N 297.358 3.511 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1ccc(O)c(C)c1 776189315 DVFHKRPGVYBFPB-NTMALXAHSA-N 298.338 3.614 30 20 CHED C[C@H](OC(=O)[C@@H](C)c1ccccc1)c1cccc(C#N)c1 774044177 JDVMCUYRBMDGIJ-KBPBESRZSA-N 279.339 3.966 30 20 CHED CCc1noc(C)c1[C@@H](C)Nc1ccc(OCC#N)cc1 1116482138 CEPSIWJPQKJLIU-LLVKDONJSA-N 285.347 3.621 30 20 CHED N#CC1(CCCN2CC[C@H]3CCCC[C@H]3C2)CCOCC1 1116905352 WSOKQSAWEJDQRM-SJORKVTESA-N 290.451 3.599 30 20 CHED C[C@@H]1CCC[C@H](COC(=O)c2ccc(C#N)s2)C1 771001715 RZQSVTPDQMYMJS-MNOVXSKESA-N 263.362 3.603 30 20 CHED CC(=NNc1cc(Cl)ccc1F)[C@@H]1C[C@H]2CC[C@H]1O2 872418396 NUUMNOOXRVVJNV-UHIISALHSA-N 282.746 3.834 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)[C@@H]1C=CCCC1 66496991 VRKRYDYHQSYFIB-QGZVFWFLSA-N 254.377 3.877 30 20 CHED C#CCCCCCCNCCc1cc(C(F)(F)F)ccn1 877551632 IAMSYDBBZYYNOC-UHFFFAOYSA-N 298.352 3.816 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1 770279291 QFCZEDGILCDKEN-CQSZACIVSA-N 294.354 3.964 30 20 CHED Oc1ccc2ccccc2c1C=NOCCC(F)(F)F 777462627 FFVQTWOAMGMBOD-UHFFFAOYSA-N 283.249 3.848 30 20 CHED Cc1ccc(F)cc1C=NNc1cc(Cl)ccn1 777907224 PXBYBQZDZDUWKX-UHFFFAOYSA-N 263.703 3.629 30 20 CHED COc1cccc(C=NN[C@H]2CCCCC2(C)C)c1OC 773123083 CXROJJCXGHTMCH-HNNXBMFYSA-N 290.407 3.596 30 20 CHED CS[C@@H]1CCCC(=NNc2ccc(C(C)(C)C)nn2)C1 1120245416 IOMLLMLUWXQMHA-GFCCVEGCSA-N 292.452 3.848 30 20 CHED N#C[C@@H](OC(=O)CCc1cccs1)C1CCCCC1 776362687 QYALCEZUUJUIQS-CQSZACIVSA-N 277.389 3.696 30 20 CHED CCCCCCCCCNC(=O)Nc1cn(C)nc1CC 774114986 WMTARSDQOUAIBL-UHFFFAOYSA-N 294.443 3.855 30 20 CHED CC[C@H]1CCCCN1C(=O)Nc1cc(C#N)c(F)cc1F 880716753 SRJZQEDTHOCZMA-NSHDSACASA-N 293.317 3.633 30 20 CHED C#CCCCCCC(=O)N1CCc2sccc2[C@H]1C 779766690 IYARSHJQQHZTGJ-CYBMUJFWSA-N 275.417 3.778 30 20 CHED N#CCC[C@H](C#N)CSc1nc2cccc(F)c2s1 882349836 ZOAKYVMMIFPXHY-SECBINFHSA-N 291.376 3.971 30 20 CHED C[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1ccccc1F 776386542 VIZLGOOBDCQMOX-WBMJQRKESA-N 289.350 3.945 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(-n2cccn2)cc1 777460570 QHDJWIZVGNFXJG-UHFFFAOYSA-N 297.280 3.565 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Oc2ccc(C#N)cc2F)cc1 779362053 OGCSPMZYIPIAHN-CYBMUJFWSA-N 297.329 3.790 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC(F)CC1)c1ccccc1 883525301 ZXTDFJWPHKNFOD-MRXNPFEDSA-N 290.382 3.837 30 20 CHED C=C[C@H]1CCCCN1C(=S)N[C@H](C)Cc1ccccc1 782408817 ODQPKJUDLZISHK-ZBFHGGJFSA-N 288.460 3.533 30 20 CHED FC(F)(F)c1cccc(NN=C[C@H]2CCSC2)c1 782112230 XKMAIBNMWYGNJU-SECBINFHSA-N 274.311 3.856 30 20 CHED C=C(CC)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 1123685213 UCHHOHMBPOLEFS-LLVKDONJSA-N 293.235 3.651 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cncc(F)c2)cc1 781921524 FBSCBEOOHYJQNM-KGLIPLIRSA-N 298.361 3.645 30 20 CHED C=C(C)Cn1c(N2CC[C@@H](C)[C@@H]2CC)nnc1C(C)(F)F 1122430162 OXERHIGRKWOVGG-NEPJUHHUSA-N 298.381 3.591 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CCC(C)(C)C3)[nH]c12 781808529 SPLTYRBEPDWEOO-STQMWFEESA-N 295.386 3.874 30 20 CHED COc1cc(NN=Cc2sccc2OC)ccc1Cl 788467150 DJDVVEYCGIMRLQ-UHFFFAOYSA-N 296.779 3.865 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)c1ccsc1 780039651 LDLKBGYBIPKAQK-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CCCCCCCC(=O)Nc1ccnc(C2(C)CC2)n1 788124261 PYFKBYQOYAUETA-UHFFFAOYSA-N 275.396 3.827 30 20 CHED CCCCCCCC[C@@H](N)c1nc(-c2ccncc2)no1 899990698 UDXAXJAPDABOPM-CQSZACIVSA-N 288.395 3.882 30 20 CHED COc1cc(Cl)c(C)cc1NCC1(CC#N)CC1 88249412 QIFQPEYLDWSVJJ-UHFFFAOYSA-N 264.756 3.763 30 20 CHED N#C[C@@]1(C(=O)Nc2nsc3ccccc23)CC12CCCC2 892438190 WOFNVGQLXTZSKP-MRXNPFEDSA-N 297.383 3.709 30 20 CHED C#CCC1(C(=O)Nc2cnc(C(C)(C)C)nc2)CCCCC1 788436118 CVGRVXZQYGOCTJ-UHFFFAOYSA-N 299.418 3.686 30 20 CHED C=CCCCCCOC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C 784844760 KRKIDAJSOSTZDC-KGLIPLIRSA-N 280.408 3.917 30 20 CHED COc1ccc(/C=C/C(=O)OCC2(C#N)CCCCC2)cc1 780490132 NCIPYQXOPDYIAH-JXMROGBWSA-N 299.370 3.726 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccco1 783880499 JXKPAKZHYMIGQJ-UHFFFAOYSA-N 259.696 3.641 30 20 CHED CCCCCCCOC(=O)c1ccc(N)cc1F 106590659 NSERQYXIPYPEPS-UHFFFAOYSA-N 253.317 3.535 30 20 CHED C=C(Cl)CNCc1c(F)cccc1OC(F)(F)F 790548451 QCTJXQRKZNEYKA-UHFFFAOYSA-N 283.652 3.566 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccnn1C(C)C)C2=O 794935730 SZFGBKGVMRXIKB-GXDHUFHOSA-N 266.344 3.595 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CSc1ccccc1 799443915 FCXXZWHIZUBWQA-UHFFFAOYSA-N 297.379 3.818 30 20 CHED CCc1oc2ccccc2c1C=NOCc1cnc(C)nc1 795203181 LMMLKBUEKKANBJ-UHFFFAOYSA-N 295.342 3.644 30 20 CHED C=CCOc1ccc(C/N=C/c2c(O)cccc2OC)cc1 794682463 VUKXNGWEXCJQPG-CPNJWEJPSA-N 297.354 3.585 30 20 CHED C[C@H](NCCCC1CCC1)c1ccc(OCC#N)cc1 689062798 YTNWNRCLSOSFBC-AWEZNQCLSA-N 272.392 3.820 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2cccc3c2CCO3)cc1 794836783 PACPXVJOCPQADM-CQSZACIVSA-N 293.366 3.807 30 20 CHED Cc1cc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)oc1C 799896117 GMHFQTZKPVMXOO-VOTSOKGWSA-N 272.348 3.813 30 20 CHED Clc1ccc(NN=C[C@@H]2CCCSC2)cc1 794856267 IGFRACBPFBNYHQ-JTQLQIEISA-N 254.786 3.881 30 20 CHED CCCCCCCCCN(C)Cc1cnn(C)c1 749902943 BZHVUVMNIVIJIK-UHFFFAOYSA-N 251.418 3.603 30 20 CHED C=CCNN=Cc1cn(Cc2ccccc2)c2ccccc12 795003636 OUISFSYOPCLHLE-UHFFFAOYSA-N 289.382 3.799 30 20 CHED C#CCCCN[C@H](C)c1ccc(OCCCC)cc1 793534449 NKYWWGDLKMXKQZ-OAHLLOKOSA-N 259.393 3.930 30 20 CHED C#CCC1(C(=O)Nc2cnc(C(C)C)nc2)CCCCC1 794411990 HTROHXHGIKFJSR-UHFFFAOYSA-N 285.391 3.512 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1c(F)cccc1Cl 791025758 GBDXZXLQHYFVMU-QWRGUYRKSA-N 296.773 3.641 30 20 CHED COc1ccc(C(=O)/C=C/c2cccs2)c(C)c1OC 794737161 BMIWXBYIWSUEKC-SOFGYWHQSA-N 288.368 3.970 30 20 CHED CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)c(C#N)c1)C(F)(F)F 799375449 AOMARGOLNUJULK-NOZJJQNGSA-N 298.308 3.574 30 20 CHED C#Cc1cccc(NC(=O)c2csc(C(C)(C)C)n2)c1 726499870 LTLWIZRNXLQYSL-UHFFFAOYSA-N 284.384 3.674 30 20 CHED C=CCNN=CC1=Cc2cc(Cl)cc(Cl)c2OC1 794994655 VRVMUSCMPMNHGT-UHFFFAOYSA-N 283.158 3.531 30 20 CHED COc1ccc(C#N)cc1NC[C@H]1CCCCC1(F)F 594700459 IHFCJWDOPXLTEH-GFCCVEGCSA-N 280.318 3.804 30 20 CHED CSc1ccccc1C(=O)N[C@@H](C#N)C1CCCCC1 92213015 YWLUEKXYNAMBSI-AWEZNQCLSA-N 288.416 3.611 30 20 CHED C[C@@H]1CCN(C)c2ccccc2N1Cc1cccc(C#N)c1 1167688150 AINSOLVWZQHDIZ-OAHLLOKOSA-N 291.398 3.793 30 20 CHED CCC1(CC)CCCN(c2c(C#N)nnc3ccccc23)C1 1163721684 NJKFIHKAUMUXBI-UHFFFAOYSA-N 294.402 3.908 30 20 CHED C[C@H](NCCc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 1320070383 IHDVWLBUFYOGRJ-HNNXBMFYSA-N 293.414 3.518 30 20 CHED CC(C)(C)CCCc1nnc(COc2ccc(C#N)cc2)o1 1322646492 UVAKEHODLBDVGY-UHFFFAOYSA-N 299.374 3.889 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2ccccc2)s1 1321242637 YFCRDMHYTCOOEF-CQSZACIVSA-N 273.401 3.706 30 20 CHED C=CC1CCN(C(=O)NCc2cccc(C(F)F)c2)CC1 1320634189 BIBNFSXPUMLJLQ-UHFFFAOYSA-N 294.345 3.732 30 20 CHED C[C@H](CC1CCCCC1)C(=O)OCC1(C#N)CCC1 1330822351 FBADDGCFSIZVJX-CYBMUJFWSA-N 263.381 3.830 30 20 CHED CN(C)c1cccc(Cl)c1C=NN[C@H]1C[C@H]2CC[C@H]1C2 1254136645 VXPPWBXVHHVPOU-HUBLWGQQSA-N 291.826 3.518 30 20 CHED C=CCCSc1ccc(S(=O)(=O)C(F)(F)F)cc1 1339879089 LLPYICFEASOOBX-UHFFFAOYSA-N 296.335 3.648 30 20 CHED CC[C@@](C)(C#N)c1nnc(-c2ccc(Cl)cc2F)o1 1261576948 HXFBQDHEPVQGIV-ZDUSSCGKSA-N 279.702 3.720 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Br)cc1F 1346174379 LIJHHYPHTGIICP-UHFFFAOYSA-N 286.144 3.883 30 20 CHED CCc1ccc(C(=O)O[C@@H](CC#N)c2ccco2)s1 1346720842 ZXSZTZDWTNYFOH-LBPRGKRZSA-N 275.329 3.715 30 20 CHED C=C(CC)C(=O)N(Cc1ccc(C)c(C)c1)C1CC1 1348974995 LBFCXEPTENXICK-UHFFFAOYSA-N 257.377 3.761 30 20 CHED C=CCC(C)(C)c1noc(-c2csc(C#N)c2)n1 1344429215 GLQUZWADDXHKPP-UHFFFAOYSA-N 259.334 3.523 30 20 CHED C=C(CC(C)C)C(=O)N1CCn2c(Cl)ccc2[C@H]1C 1348642596 HAAXIPWWKGNOTQ-GFCCVEGCSA-N 280.799 3.647 30 20 CHED C#C[C@H](NC(=O)c1occ(C)c1C)c1ccc(Cl)cc1 1347422881 RUEGXDKNRLEBTE-AWEZNQCLSA-N 287.746 3.654 30 20 CHED N#Cc1cccc(CN2CCC[C@H]3CCCC[C@H]32)c1F 221987621 SGFIPONUHRUZBK-CZUORRHYSA-N 272.367 3.852 30 20 CHED Cc1csc(NC(=O)c2ccsc2C)c1C#N 1520916650 RIVFUUBMXIXWMT-UHFFFAOYSA-N 262.359 3.550 30 20 CHED CCOc1ccc([C@@H](C)OC(=O)c2cc(C#N)oc2C)cc1 1527930375 WDMXQHVCCJXADX-LLVKDONJSA-N 299.326 3.776 30 20 CHED CCCc1occc1C(=O)Nc1cc(C#N)c(F)cc1F 1462285081 OGBCPIOTUPJEDL-UHFFFAOYSA-N 290.269 3.634 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)s1 226760382 LRIOHRIJLOZGJI-UHFFFAOYSA-N 287.731 3.990 30 20 CHED C=C(Br)CN1CCCc2cc(C)cc(F)c21 1473236301 IMFQXKULJBNSNV-UHFFFAOYSA-N 284.172 3.795 30 20 CHED C=CC[C@H](C)NCc1ccc(Br)cc1 116927055 CWSSIGSBDCMULQ-JTQLQIEISA-N 254.171 3.503 30 20 CHED CC[C@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1544390953 XQZJGUNKWBUQBS-INIZCTEOSA-N 282.318 3.830 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1nc2ncccc2s1 1559451668 PEMKAKZQTCUVLA-GFCCVEGCSA-N 297.408 3.918 30 20 CHED N#Cc1ccnc(CN(c2ccccc2)C2CCCC2)c1 1559607660 UBTGBQAVXSGCDZ-UHFFFAOYSA-N 277.371 3.902 30 20 CHED Cc1ccc2c(c1)CCN2[C@H](C)c1cccc(C#N)c1 1559809284 SPGUHSOEGUQSIX-CQSZACIVSA-N 262.356 3.990 30 20 CHED N#Cc1ccc(C(=O)C2CCC2)cc1C(F)(F)F 725326811 YCIYZLNYKUWZPI-UHFFFAOYSA-N 253.223 3.560 30 20 CHED Cc1ccc(Nc2cncc(C#N)n2)cc1OCCC(C)C 1639516788 QCSUQNFKIBUAMJ-UHFFFAOYSA-N 296.374 3.825 30 20 CHED Cc1cnc(OC(C)C)c(N[C@H]2CCC[C@@H](C#N)C2)c1 1560848498 JKHLXXXPZLCFMR-KGLIPLIRSA-N 273.380 3.672 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCCn1cccc1 1639543279 AUIQNAPBECOSNV-UHFFFAOYSA-N 296.761 3.673 30 20 CHED C=C(Br)CN1Cc2ccccc2C(C)(C)C1 1645147750 LGQUBMDPBFLNFH-UHFFFAOYSA-N 280.209 3.688 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1C[C@@H](OC(C)C)C1(C)C 1645714212 WTEAWBHUCJPOHN-IAGOWNOFSA-N 286.419 3.548 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1C)[C@H]1CC1(C)C 1654774704 IANJXMOJLMKUMH-CVEARBPZSA-N 256.393 3.781 30 20 CHED CC[C@@H](C)N(CC)Cc1cc(C#N)ccc1Br 1654210903 AHSTZDQSOAARLT-LLVKDONJSA-N 295.224 3.941 30 20 CHED N#CCOc1cccc(NCc2cccc3ncccc23)c1 1658799707 KJBZNIPEZTWFFP-UHFFFAOYSA-N 289.338 3.749 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2Cc1cccc(C#N)n1 1658955277 XDDQXWWVPNZXAS-UHFFFAOYSA-N 291.398 3.813 30 20 CHED C=CCC[C@H](C)Nc1ccc(C[C@H](C)C(=O)O)cc1 1588777570 DKMKSBYIJSRXJL-STQMWFEESA-N 261.365 3.716 30 20 CHED Cc1ccc(Sc2ncc(C#N)cc2F)s1 1651146557 GJUNNMANPVWOCK-UHFFFAOYSA-N 250.323 3.614 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H](Cc2ccccc2)C1 1663700338 XTJIMQCYEOJBLN-AEFFLSMTSA-N 270.420 3.881 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/C=C\c2cccc(F)c2)c1 1777684886 HTLXBJQZGPHWOO-WVJGBLESSA-N 296.297 3.976 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2Cc1cc(C(=O)O)sc1Cl 1776145265 AWIRNTZEIUVGRU-PHIMTYICSA-N 297.807 3.783 30 20 CHED O=C(O)c1ccc(NN=C[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 1776012401 RGPHENZQMKRNSW-CZUORRHYSA-N 298.317 3.725 30 20 CHED CCCC[C@H](NC(=O)c1sccc1C#N)C1CCC1 158706239 IQZAOUYONWCLQP-ZDUSSCGKSA-N 276.405 3.708 30 20 CHED CC1(C)CCC/C(=C/c2cc(F)c(O)c(F)c2)C1=O 158982929 SOXIMWLDQYBFDQ-POHAHGRESA-N 266.287 3.833 30 20 CHED C#CCCCCNC(=O)N(CC)Cc1ccc(Cl)s1 155004944 VUFKRIMNKWAXHQ-UHFFFAOYSA-N 298.839 3.737 30 20 CHED COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2)C1 157928971 MMQLOCWXKPYTIE-KRWDZBQOSA-N 292.382 3.556 30 20 CHED C=CCN(C)C(=O)Nc1cccc(CSCC)c1 157481736 SDARGMXAMJKERW-UHFFFAOYSA-N 264.394 3.589 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 37141715 XMZQEDJVDAXMEZ-KBPBESRZSA-N 282.309 3.769 30 20 CHED C=CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C 162214041 NPWMWEIGAXAMLK-UHFFFAOYSA-N 296.754 3.675 30 20 CHED CC[C@H](CC#N)NCc1ccc2cc(OC)ccc2c1 54182163 IWKWENZOCPMTRM-MRXNPFEDSA-N 268.360 3.630 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1Cl 308112241 KQMJLDNKMNLGCG-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@H](NCC=C(Cl)Cl)c1ccc(C#N)cc1 403395620 SVGXHGAMLOVABQ-VIFPVBQESA-N 255.148 3.528 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc2ccccc2c1 320273623 MKOCIFJFMOCVJT-RDTXWAMCSA-N 269.388 3.818 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@@H](C)CCC=C(C)C 521627469 ZPXYATOEAVUJOP-UONOGXRCSA-N 250.386 3.567 30 20 CHED CCc1nc(CN(C)Cc2ccc(C#N)cc2C)cs1 328276149 XYCUNCSOLCXRHZ-UHFFFAOYSA-N 285.416 3.518 30 20 CHED C=CC[C@H](CC)NCc1cnc(C(F)(F)F)s1 341462611 NEBGWJDQHJKQOC-QMMMGPOBSA-N 264.316 3.606 30 20 CHED N#Cc1cnc(Oc2cc(F)cc(F)c2)c(Cl)c1 358881215 NLZKSESOVSYTRZ-UHFFFAOYSA-N 266.634 3.677 30 20 CHED C=CC[C@@H](CC)NC1CC(C#N)(c2ccccc2)C1 393747220 LBPWRTVWFYEKHW-KLAILNCOSA-N 254.377 3.555 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CC1CCCCC1 477776181 IZRPYWZVSIZZFJ-UHFFFAOYSA-N 264.413 3.745 30 20 CHED N#CCCCN[C@H](c1ccccc1)c1ccc(F)cc1 109790358 IPEKGOMTYJYINS-QGZVFWFLSA-N 268.335 3.808 30 20 CHED CC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)C1CCCCC1 52338556 PDMKRYQRKSSHDP-MSOLQXFVSA-N 286.419 3.540 30 20 CHED CC(C)CC(C)(C)C(=O)N(C)Cc1ccc(C#N)cc1 177113906 SZOPKOFOKSTNLW-UHFFFAOYSA-N 272.392 3.589 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(OC)c(Cl)c1 116907883 QFGPKZGGIBQGKL-WDEREUQCSA-N 253.773 3.964 30 20 CHED CC(C)Oc1cccc([C@H](C)NC[C@H](C#N)CCC#N)c1 112528244 FGEUUUYBXYYAKT-GJZGRUSLSA-N 285.391 3.568 30 20 CHED CCCCCCCOc1ccc(C=O)cc1[N+](=O)[O-] 59088007 UVWJEANNNCRBDO-UHFFFAOYSA-N 265.309 3.757 30 20 CHED CC1(C)Cc2cccc(OCc3ccccc3C#N)c2O1 21501440 XNAXZEJVIYSIHF-UHFFFAOYSA-N 279.339 3.851 30 20 CHED C=C(C)CN(CC)Cc1ncc(-c2cccs2)o1 67485497 VDOGEFOEYIGNBP-UHFFFAOYSA-N 262.378 3.801 30 20 CHED C[C@H](CN(CCC#N)Cc1cccnc1)c1ccccc1 176359034 ORKUSEQSSUHGCU-MRXNPFEDSA-N 279.387 3.601 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)CC1CCCCC1 110012986 JRFLCRNOROUXMT-IBGZPJMESA-N 298.430 3.988 30 20 CHED C=C(C)COc1cc(CNC2CCCC2)ccc1OC 113311946 RNMYHWQFMIUKND-UHFFFAOYSA-N 275.392 3.682 30 20 CHED N#Cc1ccc2nc(NC[C@H]3Cc4ccccc43)ccc2c1 301982242 JIBUFDFNGPBWGP-MRXNPFEDSA-N 285.350 3.858 30 20 CHED CCOc1cccc([C@H](C)NCc2ccc(C#N)cc2)c1 68840242 VQJUZGDPUYKWGW-AWEZNQCLSA-N 280.371 3.808 30 20 CHED CCO[C@@H]1C[C@@H](NCC(C)(C)CCC#N)C12CCCC2 174654535 VULMWXPCTZTVGD-HUUCEWRRSA-N 278.440 3.644 30 20 CHED C[C@H](CC#N)N(C)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 1350037629 OMWRGTZQPPFYSU-DJIMGWMZSA-N 284.403 3.721 30 20 CHED Cc1ccoc1C(=O)/C=C/C=C/c1ccccc1[N+](=O)[O-] 119010831 MNGORWQOJMASQF-DLYLGUBQSA-N 283.283 3.949 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccc(C)c(F)c1 177866134 JNBIWOVBCSJVBS-LLVKDONJSA-N 267.369 3.770 30 20 CHED C=C(C)COCCNc1c(C)cc([N+](=O)[O-])cc1Cl 302837005 XBUCWYVPOSDQDX-UHFFFAOYSA-N 284.743 3.561 30 20 CHED N#Cc1cccc(OCCNc2ccc3scnc3c2)c1 172895248 BLUSWRXZZFAARL-UHFFFAOYSA-N 295.367 3.659 30 20 CHED CC(C)O[C@@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 404676422 FTKFWGPSAQBOIX-OAHLLOKOSA-N 295.386 3.500 30 20 CHED N#CCCCCSCc1cc(F)cc2c1OCOC2 178395240 UVMKUIPQMIXJPX-UHFFFAOYSA-N 281.352 3.619 30 20 CHED COc1ccsc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 175758725 FSBPONGHBCLYHO-JTQLQIEISA-N 287.340 3.546 30 20 CHED C[C@@H](CC(=O)N(CC#N)c1ccccc1)c1cccc(F)c1 172231489 CRLKXLVOSXKPAY-AWEZNQCLSA-N 296.345 3.876 30 20 CHED CN(C)[C@@H](CNc1cccc(F)c1C#N)C1CCCCC1 60355827 UPLVUVRAMQPQBJ-KRWDZBQOSA-N 289.398 3.620 30 20 CHED CSc1ccc([C@H](C)NC[C@H](C#N)CCC#N)cc1 30534613 NMODIABJQMKUJE-STQMWFEESA-N 273.405 3.503 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 302954404 FEMUUTRCYTWGCY-UHFFFAOYSA-N 289.300 3.739 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccc(F)cc1 128189388 ADUBICMELDTBBO-CYBMUJFWSA-N 293.407 3.648 30 20 CHED Cc1c(C(=O)OCCCC#N)oc2c(C)cccc12 64035433 MKUODCLUSPAAFF-UHFFFAOYSA-N 257.289 3.510 30 20 CHED CCCCc1ccc(CC(=O)N[C@](C)(C#N)C(C)C)cc1 122284663 QQVPQZQKGFSSQT-GOSISDBHSA-N 286.419 3.626 30 20 CHED C=CCC[C@H](NCc1cc(COC(C)(C)C)on1)C1CC1 186822186 RSPUSSBIQYDYRJ-INIZCTEOSA-N 292.423 3.824 30 20 CHED CC[C@@H](CC#N)NC(=O)CCCCc1ccc(C)cc1 183910232 QWNPAPGIGWJRBK-INIZCTEOSA-N 272.392 3.516 30 20 CHED CN(c1ccc(Cl)c(C#N)n1)[C@H]1CCc2ccccc2C1 301303984 WYJBSELAWLENBZ-AWEZNQCLSA-N 297.789 3.600 30 20 CHED N#CC1(C(=O)Nc2cccc3ccc(O)cc23)CCCC1 127725461 NOAHIUCWYCAVKH-UHFFFAOYSA-N 280.327 3.568 30 20 CHED C=CCC[C@H](NCCCCN1CCCC[C@@H]1C)C1CC1 120197022 CMBLAMXNRPRLOW-WMZOPIPTSA-N 278.484 3.975 30 20 CHED C[C@@H](SCc1ccc(Cl)cc1C#N)c1cnccn1 184839557 SEVWLEZWSWWUTA-SNVBAGLBSA-N 289.791 3.996 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)nc1 123753918 VMIKOTOWAFPLJI-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C=CCOc1cccc(NC(=O)N(CC)CC2CC2)c1 70047251 ZPYYCFCHLIOUKE-UHFFFAOYSA-N 274.364 3.515 30 20 CHED Cc1cccc(/C=C2/COc3ccccc3C2=O)c1 33447509 WBGSDVMJQHSORL-UVTDQMKNSA-N 250.297 3.654 30 20 CHED N#Cc1c(F)cccc1Oc1ccc(-n2cccn2)cc1 77985190 LBJUSHCEUFWPEI-UHFFFAOYSA-N 279.274 3.675 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1c(F)ccc(C)c1F 213301624 QPMJCSARWHDTKN-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cn(C)nc2C)cc1 120914227 VLWBAHCRQZMREB-ZHACJKMWSA-N 268.360 3.577 30 20 CHED CC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 78492649 ZPAWIZZXECFOIB-NXEZZACHSA-N 276.405 3.729 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1nc2ccccc2n1CC 188311345 ZLZAMYLPIOLMCD-FZKQIMNGSA-N 299.418 3.836 30 20 CHED N#Cc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 72188040 PLLLSUIORMHWDV-UHFFFAOYSA-N 298.143 3.864 30 20 CHED Cc1nc(Sc2ccc([N+](=O)[O-])cc2C#N)sc1C 78447371 CPADEMWARLXHNE-UHFFFAOYSA-N 291.357 3.691 30 20 CHED Cc1nsc(N2CCc3cccc(Cl)c3C2)c1C#N 413411393 KTQMHFUEUJLBEE-UHFFFAOYSA-N 289.791 3.539 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 127549020 XECXQFJGPABYKS-UHFFFAOYSA-N 291.351 3.642 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)nc1 78561752 LHGQMLPSIHVWEL-UHFFFAOYSA-N 299.333 3.873 30 20 CHED COc1cccc([S@](=O)CCC2(C#N)CCCCC2)c1 414233460 IRJXFUIZTPELFP-HXUWFJFHSA-N 291.416 3.667 30 20 CHED CC(C)[C@@H](C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 505832856 NGEDJOPIVPFRFM-CZUORRHYSA-N 286.419 3.957 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 184988113 VTWVNTIJINTRRP-LBPRGKRZSA-N 279.330 3.678 30 20 CHED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 75434470 JVPALCNJESJNKS-UHFFFAOYSA-N 292.382 3.918 30 20 CHED CC#CCCCC(=O)NCC(C)(C)c1ccccc1C 185388873 HYZPQSHHZUTLMZ-UHFFFAOYSA-N 271.404 3.582 30 20 CHED N#Cc1ccc(NCc2ccccc2N2CCCC2)c(F)c1 317134625 DQEAZQRMZWDSEX-UHFFFAOYSA-N 295.361 3.910 30 20 CHED CCc1ccc(C(=O)N2CCCc3cc(C#N)ccc32)cc1 410999244 QNZFQANVMQVJBD-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccs1 411128514 TWESHDIOBANHNG-BYCMXARLSA-N 296.395 3.601 30 20 CHED CC#CCCCC(=O)Nc1ccc2cnn(C(C)C)c2c1 185550539 XELBWQVCENZEIF-UHFFFAOYSA-N 283.375 3.749 30 20 CHED CCOC1CC(CN(CC(C)C)c2ccc(C#N)cc2)C1 509369089 AYLVAPFCZQFPRB-UHFFFAOYSA-N 286.419 3.836 30 20 CHED N#CCN(C(=O)c1ccccc1C(F)(F)F)C1CCCC1 78003220 APAIZXCCHQLSGY-UHFFFAOYSA-N 296.292 3.614 30 20 CHED C=CCn1c(C)nnc1SCCC1(C#N)CCCCC1 412982053 XBMDUVZZIOJVQQ-UHFFFAOYSA-N 290.436 3.729 30 20 CHED C[C@@H](O)c1ccc(CNc2c(Cl)cccc2C#N)cc1 180428963 SXCCNKRBDGLXTQ-LLVKDONJSA-N 286.762 3.877 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(F)ccc(F)c1F 131473156 HHWIPSVLESBRIK-SECBINFHSA-N 271.282 3.579 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CSc2ccccc21 182642249 RTPCZVUDYUJHIT-GXTWGEPZSA-N 275.417 3.737 30 20 CHED Cc1ccc(C)c(C(=O)N[C@H](C)c2cccc(C#N)c2)c1 75276557 ALEPVHGJEWNFBO-CQSZACIVSA-N 278.355 3.666 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 185046500 BDFIQXDQWPNKLC-UHFFFAOYSA-N 298.430 3.911 30 20 CHED Cc1ccc(SCc2ccc(C#N)cc2F)nc1 71855612 BJMSMLBXPDRTGZ-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#Cc1ccc(Nc2cc(Cl)c(N)c(Cl)c2)nc1 42847973 FWQRUOGHKWCMOR-UHFFFAOYSA-N 279.130 3.586 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1ccc(C(C)C)cc1 285145609 XEXMCTNOAQNBTP-KRWDZBQOSA-N 272.392 3.708 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 416282227 BWQYUPSUYKIGOC-HUUCEWRRSA-N 288.391 3.747 30 20 CHED Cc1ccccc1C1(C(=O)N(C)C[C@@H](C)C#N)CCCCC1 503161592 MADJHNPURIGWDI-HNNXBMFYSA-N 298.430 3.815 30 20 CHED CC[C@@H](C)CC(=O)Nc1cccc(C#N)c1Br 416083384 VBKSHNKAUKKAFC-SECBINFHSA-N 295.180 3.695 30 20 CHED C=CCSCCNC(=O)c1csc2c1CC[C@H](C)C2 195728605 DMHSLFVFCOHGIZ-NSHDSACASA-N 295.473 3.522 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC=C(c2ccc(O)cc2)CC1 134883534 XPKSHNYIDVCERS-GOSISDBHSA-N 285.387 3.610 30 20 CHED Cc1cc(F)cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1 80303938 NHQYHYCFXVDPBN-KRWDZBQOSA-N 288.366 3.727 30 20 CHED N#Cc1ccc(/C=C/c2ccccc2Br)nc1 193446715 MTLZKPPGZJALSD-SOFGYWHQSA-N 285.144 3.886 30 20 CHED CC[C@@H](C#N)OC(=O)c1sc(-c2cccs2)nc1C 84709598 AEDVHCDAUWSGKJ-VIFPVBQESA-N 292.385 3.639 30 20 CHED C=CCc1cc(CN(C)C2CCCC2)c(O)c(OC)c1 194572088 NZHCQMSWWWJYSY-UHFFFAOYSA-N 275.392 3.504 30 20 CHED Cc1nc([C@H](C)/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n[nH]1 329187500 GVLAECPQVDPCLU-SCUASFONSA-N 290.411 3.737 30 20 CHED Cc1ccc(/C=C2/CCc3[nH]c(=O)ccc3C2=O)cc1Cl 194161991 FFIVBXVBWARLQN-WQLSENKSSA-N 299.757 3.549 30 20 CHED C=CC[C@H](C)N[C@@H](COC)c1ccc(Cl)cc1 194102450 MELCFFJZRXCMDE-FZMZJTMJSA-N 253.773 3.582 30 20 CHED N#Cc1ccc(NC2CCSCC2)cc1Br 228196255 VQDGYANUTZDELB-UHFFFAOYSA-N 297.221 3.628 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C)c(Cl)c1 44764645 GTONSNYQGCLRHM-UHFFFAOYSA-N 264.756 3.917 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2cc(F)ccc2C#N)C1 160880722 MEACAJQATJNZBJ-HOTGVXAUSA-N 292.423 3.803 30 20 CHED CCCc1cc(=O)[nH]c(/C(=C/c2ccc(C#N)s2)CC)n1 193615640 FRXSEBTYBIOZBY-DHZHZOJOSA-N 299.399 3.606 30 20 CHED CCCCCCCCC[S@@](=O)Cc1cc(C)no1 190733744 PHBNDPPUVIWPFE-GOSISDBHSA-N 271.426 3.982 30 20 CHED CC(C)=CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 531209584 VPNUVAIZFARBKV-IAGOWNOFSA-N 254.377 3.724 30 20 CHED C#C[C@H](NCc1nc(-c2ccccc2)cs1)C(C)C 381671299 UAWHVEQINBWZAE-AWEZNQCLSA-N 270.401 3.558 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cnc(-c3ccccc3)s2)C1 424188867 CPJKIQRHUUIKIL-OCCSQVGLSA-N 283.400 3.592 30 20 CHED CN(C)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1 226345553 OEUCWQXVNTXBBI-UHFFFAOYSA-N 299.761 3.530 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1C[C@H]2CCC[C@@H](C2)C1 511806563 KEIGFSPFPNTHIO-BPUTZDHNSA-N 254.377 3.741 30 20 CHED CC(C)(CCC#N)COC(=O)[C@@H]1C[C@]12CCc1ccccc12 195063800 YZNGKFPHRYOUJZ-LPHOPBHVSA-N 297.398 3.764 30 20 CHED Cc1cnc([C@@H](C)NC2CCC(C)(C#N)CC2)s1 334760163 CAWKZOVLSJNFAK-LKSINWNRSA-N 263.410 3.575 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2CC#N)C1 336254403 CIAVGQACCKPTIB-GXTWGEPZSA-N 256.349 3.517 30 20 CHED CC[C@@H](/N=C(/O)c1ccc(NC(C)C)nc1)C(C)C 331134779 CEGOIJZCMBQDFI-CYBMUJFWSA-N 263.385 3.641 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCC(=O)c1ccc(C)cc1 428051250 VKXQYZYYUKPUDR-MRXNPFEDSA-N 285.387 3.525 30 20 CHED N#Cc1cccc(F)c1CC(=O)Nc1ccsc1Cl 336589703 OQVVQOAHEOVMSE-UHFFFAOYSA-N 294.738 3.593 30 20 CHED C=C1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 533417813 WLQXSPUHBPWHOB-UHFFFAOYSA-N 299.201 3.584 30 20 CHED Cc1ccc(O[C@@H](C)CNCc2ccc(C#N)c(F)c2)cc1 421369474 VTUFZPZBORJMSF-AWEZNQCLSA-N 298.361 3.563 30 20 CHED C=CCOc1ccc(CN2CCC[C@@H](OC)C2)cc1Cl 91772239 ZRWIESHQUQAICX-CQSZACIVSA-N 295.810 3.516 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@H]1CCCO[C@@H]1C 330177362 KQQOADSDIQDUTH-OCCSQVGLSA-N 299.374 3.788 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 424664057 OGKFFGMTDSXTEM-SUMDDJOVSA-N 298.430 3.844 30 20 CHED C[C@@H](CC#N)N(C)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 337028345 BZEQQYJWTVKJGD-WDEREUQCSA-N 298.308 3.569 30 20 CHED Cc1ccc(CNc2cnccc2C#N)c(OC(C)C)c1 91737910 LAMHVPFECVYPJH-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC1CCC(OC(C)C)CC1 90771940 WPEXZQLOIZFZMU-WXLSXGNJSA-N 253.430 3.913 30 20 CHED N#C[C@@H]1CC[C@H](NC2(c3ccc(Cl)cc3)CC2)C1 336170914 LGJXSUBMXASZDJ-RISCZKNCSA-N 260.768 3.611 30 20 CHED Cc1ccc([C@@]2(C)CCN(Cc3ccc(C#N)o3)C2)cc1 435032634 FXXOWDRWKGXLKA-SFHVURJKSA-N 280.371 3.623 30 20 CHED Cc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 334402194 FZLPHTOQKRLPDC-GOSISDBHSA-N 262.356 3.644 30 20 CHED Cc1ccc(NC(=O)N2CCC(CCC#N)CC2)cc1F 335469873 LGGQSAOMUXKMCU-UHFFFAOYSA-N 289.354 3.682 30 20 CHED Cc1c(C#N)cccc1C(=O)NCc1coc2ccccc12 337880943 YCMCERLUIRBYEF-UHFFFAOYSA-N 290.322 3.543 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccccc1C(F)(F)F 435738744 UEDSBFYQLIAXKR-HIFRSBDPSA-N 299.336 3.776 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)s2)C1 335109419 LZCIXIGDAFOPGD-NSHDSACASA-N 276.405 3.518 30 20 CHED Cc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cn1 336401034 UVTPFTKTQOTMFK-UHFFFAOYSA-N 289.382 3.551 30 20 CHED CC(C)(C)CCNC(=O)N[C@H](CCC#N)c1ccccc1 438836249 NGKWVGUPWBVGDZ-OAHLLOKOSA-N 287.407 3.767 30 20 CHED O/C(=N\C1CCC(/C(O)=N\CCC2CC2)CC1)C1CC1 330011853 JOWLTNOUHWIHQM-UHFFFAOYSA-N 278.396 3.668 30 20 CHED C=CCN(C)C(=O)NCC(C)(C)c1c(F)cccc1Cl 430046807 QOAOOJSZKYXMMK-UHFFFAOYSA-N 298.789 3.584 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1 436381940 BKKNTBIRSMWMCR-KBMXLJTQSA-N 285.391 3.519 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Sc2ccc(C)cc2)CC1 520822701 CHXCRFUSMOQELT-CQSZACIVSA-N 275.417 3.654 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 437332549 MZEBLPNKZBJYFT-SQWLQELKSA-N 277.795 3.914 30 20 CHED C=CCCCNC(=O)c1ccccc1-c1nc(C(C)C)no1 344450642 SMHTZZLKFBZKGA-UHFFFAOYSA-N 299.374 3.556 30 20 CHED C[C@@H]1[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)CCC[C@H]1C 431004998 JLYRTIAUKQLDCD-IJEWVQPXSA-N 299.418 3.946 30 20 CHED CSC1CCN(c2c(Cl)cccc2C#N)CC1 601207871 RIPGUGBEWTUAGL-UHFFFAOYSA-N 266.797 3.543 30 20 CHED C=CCOc1cccc(-c2nc3ccc(C#N)cc3[nH]2)c1 603807319 MPVDDUKJCCYJLD-UHFFFAOYSA-N 275.311 3.666 30 20 CHED Cc1nc(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)ccc1C#N 340630238 GFAUJKUKGXHYAY-HOCLYGCPSA-N 299.418 3.596 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1ccc(Cl)cc1 602505019 PHQRZEBYUMQLKW-NEPJUHHUSA-N 250.773 3.930 30 20 CHED CCc1cccc(CC)c1NC(=O)N(C)CC(C)(C)C#N 432739436 QPIRCEYNTPWOCY-UHFFFAOYSA-N 287.407 3.825 30 20 CHED N#Cc1ccc(F)c(CN[C@@H](c2ccccc2)C(F)F)c1 433044821 KKACXCDUGHFCFY-HNNXBMFYSA-N 290.288 3.793 30 20 CHED C[C@@H](C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 525630412 QCPITVDOWBKWDO-LLVKDONJSA-N 284.746 3.954 30 20 CHED C/C(=C/c1ccccc1)CNCc1ccc(OCC#N)cc1 255116722 YBKFATAYNNCKBO-SSZFMOIBSA-N 292.382 3.782 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](C)C(C)(C)C 522336930 YRYQWGCNBXYYPS-OAHLLOKOSA-N 273.420 3.926 30 20 CHED CC[C@@H](NCc1cccc(C#N)n1)c1ccc(C)cc1 602498453 KHPMCSLTLSIJJM-QGZVFWFLSA-N 265.360 3.503 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C1CCCC1)C(F)(F)F 439379684 LLZCERSYXKKILC-NEPJUHHUSA-N 292.345 3.761 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)/C=C\c2ccccc2C#N)C1 255165742 QYZGSMLGXVQHNT-CINZJOAMSA-N 282.387 3.609 30 20 CHED N#Cc1csc(CNc2cc3c(cc2Cl)CCC3)n1 527807607 MBKQNWGQSIRPFW-UHFFFAOYSA-N 289.791 3.769 30 20 CHED C[C@@H](C#N)CNCc1ccc(Cl)c(C(F)(F)F)c1 183820333 UFCBOJLYUMRGCL-QMMMGPOBSA-N 276.689 3.608 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\C[C@@H]1CCCOC1 255037024 QLAOWSRSUJMFAC-JUAVFEPTSA-N 288.174 3.545 30 20 CHED C=CC[C@@H](CC)NCc1cn(-c2ccccc2)nc1C 341464496 PCUBDWRGHRZNKI-MRXNPFEDSA-N 269.392 3.625 30 20 CHED CSc1ccc(N[C@H](C)c2cccc(C#N)c2)nc1 347250156 CTLBEOOOUOALKG-LLVKDONJSA-N 269.373 3.848 30 20 CHED CCCC[C@@H](CC)CC(=O)Nc1cc(C)nn1CCC#N 609754937 QGKDLIQQEWNEPV-CQSZACIVSA-N 290.411 3.650 30 20 CHED Cc1ccc2c(c1)N(CCOc1ccc(C#N)cc1)CCC2 609540838 LKPOVTRUJJBFOF-UHFFFAOYSA-N 292.382 3.698 30 20 CHED N#Cc1cccnc1/C=C/c1nc2ccc(F)cc2s1 352021285 OFQRPTQSICMSHT-AATRIKPKSA-N 281.315 3.872 30 20 CHED N#Cc1ccccc1CN1CCC2(CCSCC2)CC1 602737778 XGTQKTVPDNCIGS-UHFFFAOYSA-N 286.444 3.667 30 20 CHED C=CC[C@H](CO)CN[C@H]1C[C@H](C(C)C)c2ccccc21 447588542 VIZCNCOLMVXDAF-QGTPRVQTSA-N 273.420 3.645 30 20 CHED C=CCN(C(=O)CCCc1sccc1C)C1CC1 357492183 LLHZXCARIOOKJY-UHFFFAOYSA-N 263.406 3.556 30 20 CHED CC[C@@H](CC#N)NCc1cccc(OCC(C)C)c1 358299326 MYIMWKJSXNVDNM-HNNXBMFYSA-N 260.381 3.503 30 20 CHED CC1(C)CCCN(C[C@@H]2CCC3(CCCCC3)O2)[C@@H]1C#N 444728810 RLOWCGGXJUHCEO-JKSUJKDBSA-N 290.451 3.882 30 20 CHED CCN(C[C@H](C)CCC#N)[C@H](C)Cc1ccc(OC)cc1 602442195 UCNKQPJYCDHAEY-HZPDHXFCSA-N 288.435 3.888 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1cc(C#N)cs1 354838901 BYKWHLYGAYYZOW-LBPRGKRZSA-N 284.384 3.728 30 20 CHED CC(C)Oc1ccccc1C(=O)NCC(C)(C)CCC#N 359774954 XSPJDLIINLFFFB-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C=CCC(C)(C)CNC(=O)c1nc(C2CC2)n2ccccc12 352478144 STKFHNVBTSYQND-UHFFFAOYSA-N 297.402 3.544 30 20 CHED CCc1cc(N2CCC[C@@](C)(C#N)C2)c2ccccc2n1 612108721 RMRNGXVNSDFDGV-SFHVURJKSA-N 279.387 3.927 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)CCOc1ccccc1 539435323 WPNSYPVCRPZMLT-HZPDHXFCSA-N 289.419 3.953 30 20 CHED CC(C)CCn1cccc1CN1CCC[C@@](C)(C#N)C1 612406523 ORLMDYGAZSPQHE-KRWDZBQOSA-N 273.424 3.660 30 20 CHED CCCCOc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 442713099 HQXQXOZSSFAAPU-HOCLYGCPSA-N 272.392 3.647 30 20 CHED CC(C)Oc1ccc(CN2CC[C@@](F)(C#N)C2)cc1Cl 615647491 YXAMZAVMFWYJEO-OAHLLOKOSA-N 296.773 3.565 30 20 CHED CCOc1cccc([C@H](C)Nc2ccc(C#N)nc2)c1 267356394 HKZFAIWISPFZRJ-LBPRGKRZSA-N 267.332 3.525 30 20 CHED C[C@@H](NCCCOc1cccc(C#N)c1)c1ccsc1 619783641 WCGJITVQQGOOTL-CYBMUJFWSA-N 286.400 3.739 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cc(C3CC3)ccc2F)C1 449373513 RMYHFYCWXFWUHK-BLLLJJGKSA-N 272.367 3.875 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 539034812 JJMAXRFMPHPHRG-GHMZBOCLSA-N 275.314 3.532 30 20 CHED CCCN(CCC)CCCN[C@@H](C)c1cccc(C#N)c1 538395477 DKARVJOQVKIGHN-INIZCTEOSA-N 287.451 3.721 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1cnn(C(C)C)c1 537186068 FWORBBJWVYGSPG-ZIAGYGMSSA-N 292.427 3.569 30 20 CHED CCO[C@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)C1(C)C 619755326 XFKIEQZFENNXRC-GJZGRUSLSA-N 292.810 3.505 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCC[C@H](OC)C2)CCCC1 619110447 KOHYDMBMNDBDBC-GJZGRUSLSA-N 279.424 3.587 30 20 CHED CC(C)Oc1ccc(NC(=O)N2C3CCC2CC3)cc1C#N 532508105 PUZNZBKBENYAHM-UHFFFAOYSA-N 299.374 3.504 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2c2cccc(C#N)n2)c1 531627628 NBGYGSMVGJQRQK-QGZVFWFLSA-N 277.371 3.912 30 20 CHED C=CCC1(C(=O)N2CCC([C@H]3CCCCO3)CC2)CCC1 619162929 AJODPCHVXDMPLW-MRXNPFEDSA-N 291.435 3.541 30 20 CHED C[C@H](Nc1ncnc2ccsc12)c1cccc(C#N)c1 610340452 XSXWINSSJGXOBM-JTQLQIEISA-N 280.356 3.736 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(C#N)c(F)c2)CCC1 362299279 ZOQCZZIAKLGBBB-UHFFFAOYSA-N 274.339 3.852 30 20 CHED CCc1cccc2c1OCC[C@H]2NCc1cccc(C#N)c1 264358470 HHSSEJJQXBQAMG-GOSISDBHSA-N 292.382 3.734 30 20 CHED CCc1c(C)nc2ccccc2c1N1CC[C@](F)(C#N)C1 615526830 AIVXHRRKDNGWAK-KRWDZBQOSA-N 283.350 3.548 30 20 CHED C=C(C)CN1CCC(N[C@@H](CCC)C2CCC2)CC1 453091302 CHNOWQIVWOJVAY-KRWDZBQOSA-N 264.457 3.585 30 20 CHED CCCn1ccc2cc(NC(=O)N(C)C[C@@H](C)C#N)ccc21 264108134 SNIHXTISYOPQHL-ZDUSSCGKSA-N 298.390 3.675 30 20 CHED C=CCC[C@@H](C(=O)NCCC(C)(C)F)c1ccccc1 618410659 JMUHAWFWVUASEV-OAHLLOKOSA-N 277.383 3.991 30 20 CHED CC(C)(C#N)CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 611689882 SRIOREQMOJCBAX-IAGOWNOFSA-N 292.382 3.609 30 20 CHED C=CCC1(NC(=O)c2cccc(C(C)=O)c2)CCCCC1 456370800 RZZPAHKDJFZWQY-UHFFFAOYSA-N 285.387 3.898 30 20 CHED Cc1ccccc1C1(C(=O)NCC2(CC#N)CC2)CCCC1 366048083 WFYQQKHMLXKQJA-UHFFFAOYSA-N 296.414 3.617 30 20 CHED C#CCC1(C(=O)N2CCc3cccc(F)c3C2)CCCCC1 276692520 SESXIDQGFTWKCM-UHFFFAOYSA-N 299.389 3.684 30 20 CHED N#C[C@@]1(F)CCN(Cc2nc(C3CCCCC3)cs2)C1 618308033 BQACMDNVRRFHCU-HNNXBMFYSA-N 293.411 3.628 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccccc1)c1ccccn1 365824327 KENLDZJUABCMTC-SFHVURJKSA-N 280.371 3.644 30 20 CHED C=CCN(Cc1c(C)nc2scc(C3CC3)n12)C1CC1 459477005 FMPMRBZLWPWKEW-UHFFFAOYSA-N 287.432 3.732 30 20 CHED CC(=O)c1ccc(C#N)c(NCC2Cc3ccccc3C2)c1 543434787 MKFZNXXBKRFGEO-UHFFFAOYSA-N 290.366 3.588 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC(C)C)cc1 454473617 AJEAMJVZNJCFBL-UHFFFAOYSA-N 262.353 3.562 30 20 CHED CCC1(CC)[C@H](NCc2ccc(C#N)cc2C)C[C@H]1OC 617547728 KUTDLBRJQDMSDV-IAGOWNOFSA-N 286.419 3.550 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 617616413 WENBDIIQLAFSGJ-CHWSQXEVSA-N 284.186 3.789 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1ccc(C)cc1)C1CC1 540110550 WERSSNISKGEBSB-INIZCTEOSA-N 272.392 3.806 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cccc(OC/C=C\C)c1 451419111 KRDDZTFQZUUHFL-HQQUCIOCSA-N 287.403 3.655 30 20 CHED N#Cc1ccc(NCc2ccccc2N2CCCCC2)cn1 272235970 QCBKKKBEWCXBND-UHFFFAOYSA-N 292.386 3.556 30 20 CHED COCC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccco1 272531011 JCVSLPJLFXQWEH-CZUORRHYSA-N 284.359 3.580 30 20 CHED C=CCCC[C@@H](C)N1CCC(c2noc(C3CC3)n2)CC1 360359127 IQHOHGGFWQOKQY-CYBMUJFWSA-N 289.423 3.871 30 20 CHED C=C(C)[C@@H](Cc1nc([C@H]2CCCCS2)no1)OCC 274032030 OKPLGLKCHPTJQK-VXGBXAGGSA-N 282.409 3.552 30 20 CHED C=CCOc1ccc(CN(CC)CCC2CC2)cc1OC 546264632 AUGSKUJTPLJLEN-UHFFFAOYSA-N 289.419 3.882 30 20 CHED N#Cc1csc(C(=O)Nc2nc(C3CCC3)cs2)c1 277480280 BOWPDRWNDBEVHC-UHFFFAOYSA-N 289.385 3.596 30 20 CHED C=CC[C@H](C)[C@H](C)NCCC1C[C@@H](C)O[C@H](C)C1 549226274 WATFQXRSPOBTNB-YJNKXOJESA-N 253.430 3.770 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1CCC(C)C 455329432 STPYLGQNLGEUPZ-AWEZNQCLSA-N 252.402 3.563 30 20 CHED C=CCCCCNC(=O)c1sccc1SC 274439584 DJDDWLMQUSKILO-UHFFFAOYSA-N 255.408 3.556 30 20 CHED C=CCNc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C 362428771 CUPWZDIHEDACGW-KBPBESRZSA-N 286.419 3.711 30 20 CHED Cc1cccc([C@H](NC(=O)NCCCC#N)C(C)(C)C)c1 273295012 SZJDQKPGWDTXOW-HNNXBMFYSA-N 287.407 3.685 30 20 CHED CCc1sc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1C 272407980 KTEQYKKHMGDONP-HNNXBMFYSA-N 278.421 3.677 30 20 CHED C=C(C)CNC(=O)Nc1ccc(CSCC)cc1 455848952 AQAPYTOFSUBPJP-UHFFFAOYSA-N 264.394 3.637 30 20 CHED C=C(C)CCNC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 455307929 JEYNSDJVMBTVOF-NWDGAFQWSA-N 292.345 3.621 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2c[nH]c3ccccc23)no1 278334111 ZULVBHMINMKHSR-NSHDSACASA-N 283.331 3.872 30 20 CHED CCCC[C@@H](COC)N[C@@H](C)c1ccc(C#N)c(F)c1 271963196 RRMSFZIBERIJDI-WFASDCNBSA-N 278.371 3.553 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 465179662 QTFGRTAINLDIEK-YGRLFVJLSA-N 291.782 3.912 30 20 CHED C=C(C)CCc1noc(Cc2c[nH]c3ccccc23)n1 285015254 FALIHLZKTFDQFJ-UHFFFAOYSA-N 267.332 3.650 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN1c1ccccc1 469752333 MJQDVROHSVWIQG-NVXWUHKLSA-N 286.419 3.516 30 20 CHED C=C[C@@H](CC(=O)NC[C@H](CCC)OCC)c1ccccc1 628344581 DMMBXYLXQAVAIV-RDJZCZTQSA-N 289.419 3.668 30 20 CHED Cc1cc(OCCC(C)(C)C#N)c2ccccc2n1 281759765 CNDIASYFDJGULP-UHFFFAOYSA-N 254.333 3.862 30 20 CHED C#Cc1ccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)cc1 289683639 MVKNRRBYHHWIKI-PMACEKPBSA-N 291.394 3.535 30 20 CHED N#Cc1cc(F)cc(OCc2ccn(C3CCCC3)n2)c1 289626519 MBOSHJKLJJSSPP-UHFFFAOYSA-N 285.322 3.588 30 20 CHED Cc1ccc(-c2noc(-c3cccc(CC#N)c3)n2)c(F)c1 460144073 UBZHRSVKZYUZAJ-UHFFFAOYSA-N 293.301 3.917 30 20 CHED C=C(C)CCc1noc(-c2cccc(NC(=O)C3CC3)c2)n1 285148370 OMWULTSENCGIRM-UHFFFAOYSA-N 297.358 3.594 30 20 CHED CC[C@H](C)[C@H]1CCCCN1c1nccc(C)c1C#N 462695514 HAIPUABRMIIMHQ-SWLSCSKDSA-N 257.381 3.667 30 20 CHED C=CCCCc1nc(-c2cc(OC(F)F)ccc2F)no1 551441473 XRQMXSWCFHMXST-UHFFFAOYSA-N 298.264 3.986 30 20 CHED CC#CCSCc1ccc(OC(F)F)c(OC)c1 464080842 DWESHWMSQQOVFU-UHFFFAOYSA-N 272.316 3.553 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(F)cc2F)n1 551138317 QUEXRSLTYDJBBT-UHFFFAOYSA-N 278.302 3.792 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(c1ccc(Cl)cc1)C(C)C 460085617 LAGNXUAIABLDTG-CABCVRRESA-N 293.794 3.673 30 20 CHED CCCc1ccc(C(=O)[C@@H](C#N)c2ccccn2)s1 633899223 FDARLPRTEQJLFB-LBPRGKRZSA-N 270.357 3.586 30 20 CHED C=CCC(CC=C)C(=O)N[C@@](C)(C1CC1)C(F)(F)F 469116283 WYYUAJFMLFVRKK-ZDUSSCGKSA-N 275.314 3.602 30 20 CHED CC(C)c1[nH]ccc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 285365961 HYOOIRUUULHJSK-LBPRGKRZSA-N 281.359 3.501 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Cl)c(O)c(OCC)c1 281623671 GAVMAGWELQQZRH-LLVKDONJSA-N 297.782 3.529 30 20 CHED C=CCN(Cc1ccc2oc(C(=O)O)cc2c1)C(C)(C)C 382469571 ABBGBVCTVFZPEN-UHFFFAOYSA-N 287.359 3.918 30 20 CHED FCCC[C@H]1CCCC1=NNC(=S)NC1CCCCC1 800805923 IMIYUUQCTFFJCL-GFCCVEGCSA-N 299.459 3.689 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@H](C(C)(C)C)C1 558996996 APQNZEZTXPBXED-AWEZNQCLSA-N 290.455 3.679 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)Cc2nc(Cl)ccc21 806577869 HRPLRXXCJQILLS-GQCTYLIASA-N 297.166 3.667 30 20 CHED CC[C@H](CC(=O)OCCCSCC#N)c1ccccc1 805444332 UGJXEOPZTYRHMQ-CQSZACIVSA-N 291.416 3.760 30 20 CHED C#Cc1ccc(CNc2cc(C)n([C@H](C)CC)n2)cc1 809631756 HOHGBDQBFXPBCU-CYBMUJFWSA-N 267.376 3.756 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(SCC)c1 293447730 VOGGQMIWMWEADX-UHFFFAOYSA-N 289.404 3.732 30 20 CHED C=C(C)Cn1c(C)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 291030384 NIUWJZOHYQPUBK-PBHICJAKSA-N 296.418 3.545 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1oc(CCC)nc1C 293630279 KEQRTDWTLHAZCJ-NEPJUHHUSA-N 250.386 3.626 30 20 CHED C=CCCCCCCNC(=O)NCc1cccs1 804606132 ZDDVFNIYCOXCKM-UHFFFAOYSA-N 266.410 3.684 30 20 CHED C[C@@H](CN=c1c(C#N)c[nH]c2ccccc12)CC(F)(F)F 397003380 UYOIDQYMTPGSJI-SNVBAGLBSA-N 293.292 3.529 30 20 CHED N#Cc1nc(F)ccc1OCc1ccccc1C(F)(F)F 808047828 WSXFGIQQAFWIFA-UHFFFAOYSA-N 296.223 3.690 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC[C@H]1CCCF 800803315 DNIWPNZGPJLEGV-NSHDSACASA-N 279.315 3.913 30 20 CHED C[C@@H](CCNC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 294555119 MXKDZOSXEZEOSI-HNAYVOBHSA-N 296.414 3.770 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H](F)c2ccccc2)cc1 809258754 GOBPFONLWOJXAQ-IAGOWNOFSA-N 296.345 3.641 30 20 CHED C=CCN(CCC#N)C(=O)c1cc2cc(C)c(C)cc2o1 292579721 YNNBOCBCTCHDHL-UHFFFAOYSA-N 282.343 3.592 30 20 CHED Cn1ccc2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c21 296217154 KATONNMMNKIFBO-SFHVURJKSA-N 293.370 3.591 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)NC3(C#N)CCC3)oc12 299538787 VUVBVVRLPBGQDJ-UHFFFAOYSA-N 282.343 3.534 30 20 CHED C=CCC[C@H](CCC)NC[C@@]1(CO)C[C@H]1c1ccccc1 562102918 IELTXMOTRZPKIA-GBESFXJTSA-N 287.447 3.877 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(F)cc1SC 646552216 NZJMPAXYGHSUMZ-SECBINFHSA-N 268.357 3.634 30 20 CHED C=CCN(C(=O)C1(c2ccc(C)cc2)CCC1)C1CC1 644695565 RVIPUMSTRDMMFL-UHFFFAOYSA-N 269.388 3.594 30 20 CHED CC[C@H](CNc1cc(C#N)ccn1)Oc1ccccc1C 561234211 YBIYMZXEGRHOCP-OAHLLOKOSA-N 281.359 3.531 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1C[C@H]1C 488289417 FNXUYTFIHUZFNQ-RHSMWYFYSA-N 256.393 3.672 30 20 CHED C#C[C@@H](NC(=O)NCC1CCCC1)c1ccc(Cl)cc1 811810292 XDNCTMUBDPGRKU-OAHLLOKOSA-N 290.794 3.504 30 20 CHED C=CCC1(CN[C@@H]2C[C@H](C)O[C@H](C)C2)CCCC1 566049810 NKHNSIKUTOGIOW-FICVDOATSA-N 251.414 3.669 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccc(C)nc1C 814812938 RBADLTHJKZJAFU-UHFFFAOYSA-N 287.794 3.866 30 20 CHED C[C@H](C=NN[C@H](C)c1ccncc1)CCc1ccccc1 819815543 ATLSOUJSAKOLNX-JKSUJKDBSA-N 281.403 3.987 30 20 CHED C=CC[C@H](C(=O)Nc1ncccc1CC)c1ccccc1 489712768 IFFFISVTJOYEQW-INIZCTEOSA-N 280.371 3.942 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 812200714 ZPWNAXDPLHGKAC-HOTGVXAUSA-N 298.430 3.550 30 20 CHED COc1cccc2cc(C=NOCCC3CC3)oc12 814246864 GKFHHMLKOGKPSY-UHFFFAOYSA-N 259.305 3.592 30 20 CHED COC(=O)c1ccc(Cl)c(/C=C/c2ccc(C#N)cn2)c1 480037654 JRDQKLLWMRWRCM-ZZXKWVIFSA-N 298.729 3.564 30 20 CHED C=CCNN=Cc1sc2c(Cl)cccc2c1C 814928067 ULPUZNFGNMHYDR-UHFFFAOYSA-N 264.781 3.973 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 487729370 MCPUFSPQYOFGJU-SJORKVTESA-N 286.419 3.930 30 20 CHED C=C[C@H]1CCCCN1C(=O)C/C=C\c1ccccc1F 488872828 BGDCWQHFOSYQFI-VIHMKRCTSA-N 273.351 3.796 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNC[C@@H]1CCSC1 811660045 FGLZRAPUYMDWDV-OLZOCXBDSA-N 274.433 3.549 30 20 CHED C=CCCCC(=O)N[C@H]1CCc2sc(Cl)cc21 571697155 QRPLVSPCURDXID-JTQLQIEISA-N 269.797 3.861 30 20 CHED C=CCCCCN1Cc2cnn(-c3ccccc3)c2C1 578484597 NNWIZOWDXSPJAA-UHFFFAOYSA-N 267.376 3.544 30 20 CHED C#CCON=C(Cc1ccccc1)c1ccc(C)c(C)c1 812233063 MBVPUJBKNPEXMT-UHFFFAOYSA-N 277.367 3.900 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccccc1Cl 488831753 HDSCCSGGJAPIBS-CQSZACIVSA-N 277.795 3.840 30 20 CHED C=C(Cl)CNC(=O)Nc1nc2c(s1)CCCC2(C)C 810314309 UTXRDGXDGBLSDX-UHFFFAOYSA-N 299.827 3.631 30 20 CHED COc1ccc(F)cc1C=NN[C@H](C)c1ccccc1 812226932 MKMFXTBNMBHZQN-GFCCVEGCSA-N 272.323 3.519 30 20 CHED C=CCn1cccc1C(=O)N1CC(C)(C)CC(C)(C)C1 488896078 KOYOEMOZJUUTLY-UHFFFAOYSA-N 274.408 3.572 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)c1cn(C)c2ccccc12 488836499 IQEXVCUVSPUMQG-CABCVRRESA-N 296.414 3.849 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](c2ccccc2)C1(C)C 817506968 PPEMYFXBEGGKLG-CQSZACIVSA-N 293.357 3.993 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](F)C2)c(Cl)c1 573321733 ZCXAEDZKNYQTMA-WDEREUQCSA-N 295.745 3.614 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1cc(F)ccc1F 811687253 DLCVRRPADUXYLU-QPJJXVBHSA-N 287.240 3.872 30 20 CHED C=CCOCCN1C[C@H](C)CC[C@@H]1c1ccccc1OC 573985242 OMSFOPXDRGMWBE-NVXWUHKLSA-N 289.419 3.671 30 20 CHED C[C@@]1(CNc2ccc(C#N)cc2F)CC1(Cl)Cl 828791510 VJMFVENWTPXQFJ-NSHDSACASA-N 273.138 3.693 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@H](C)C1)c1ccccc1 490271811 NEZQTXMZJRBMFM-HOCLYGCPSA-N 257.377 3.605 30 20 CHED C=C[C@H]1CCCCN1Cc1cc2ccncc2s1 668078086 FNKXHRSGNAHMBE-ZDUSSCGKSA-N 258.390 3.837 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1nc(CC)cs1 666224595 QTVIVRUPVRAAHF-UHFFFAOYSA-N 267.398 3.572 30 20 CHED C=CCCCNC(=O)N(C)[C@@H](C)c1c(F)cccc1F 583911824 AOFJOSJHCXDQTA-NSHDSACASA-N 282.334 3.633 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(NC(=O)OC)c1C 497305262 DXPYNAQTJIAUJB-UHFFFAOYSA-N 290.363 3.714 30 20 CHED CCNc1cc(C)ccc1NC(=O)CCCCCC#N 589849509 DTIMICBYMOGLQB-UHFFFAOYSA-N 273.380 3.839 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCc2cccc3cc[nH]c23)C1 664728879 SEEKMADFMJVLNQ-CQSZACIVSA-N 297.402 3.666 30 20 CHED CC(C)CN(C(=O)c1ccsc1)c1ccc(C#N)cc1 499318181 GLUMIGJPOJCGAV-UHFFFAOYSA-N 284.384 3.923 30 20 CHED N#Cc1c(F)cccc1SCc1ccc(C(=O)O)cc1 739092771 JNXBYOSULYKAJT-UHFFFAOYSA-N 287.315 3.688 30 20 CHED N#CC1(CCOC(=O)c2cc3cnccc3[nH]2)CCCCC1 909814879 VRZTWUFMNCQAKQ-UHFFFAOYSA-N 297.358 3.584 30 20 CHED Cc1cc(O)c(CNCC2CCC(C#N)CC2)cc1Cl 825773289 CQYSNCLKARFQSN-UHFFFAOYSA-N 292.810 3.774 30 20 CHED C=CCCCOC(=O)C(F)(F)c1cccc(Cl)c1 735532771 PPJRAMUBLSSYSF-UHFFFAOYSA-N 274.694 3.941 30 20 CHED CC(C)C#CC(=O)Nc1ccc(OC2CCCC2)cc1 820918941 DQZVSSNCEUUBPA-UHFFFAOYSA-N 271.360 3.606 30 20 CHED C=CCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)C(C)C 730745088 AOWVMKYTEXGARK-UHFFFAOYSA-N 297.345 3.941 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1c(C)nn(C(F)F)c1C 820589295 ZGBORPUIHOQURP-UHFFFAOYSA-N 286.322 3.541 30 20 CHED C[C@H](NCCCC1(C#N)CCOCC1)C1CCCCC1 499598877 DIYUXQJMUZEHFS-HNNXBMFYSA-N 278.440 3.645 30 20 CHED C[C@H](NCCOc1cccc(C#N)c1)[C@@H](C)c1ccccc1 495400835 GCRQWOYWNUCNEE-CVEARBPZSA-N 294.398 3.719 30 20 CHED C=CCCOCC(=O)O[C@H]1CCC[C@@H]1c1ccc(C)cc1 734085456 BKSIJWNHSVHXRJ-SJORKVTESA-N 288.387 3.767 30 20 CHED C#CCOc1ccc(CNC[C@H](C)c2ccc(F)cc2)cc1 733327794 BESRGTYCFHWSCJ-HNNXBMFYSA-N 297.373 3.731 30 20 CHED C=C[C@@H]1CCCCN1CCCCN1CCCC[C@H]1C=C 581107547 JSUBJMFIRWCPJT-QZTJIDSGSA-N 276.468 3.848 30 20 CHED C=CC[C@H](NC(=O)N[C@H](C)CCCCC)c1ccncc1 734653083 YOPXZDDCLVTIBB-ZBFHGGJFSA-N 289.423 3.967 30 20 CHED C=CC[C@@H](NC(=O)CCC1CCCC1)c1ccncc1 734234391 NBDUBYAHFYDHLA-MRXNPFEDSA-N 272.392 3.785 30 20 CHED N#CCCCCCC(=O)NC[C@H]1CCCc2ccccc21 588149434 HRPFZFSVYCRSML-MRXNPFEDSA-N 284.403 3.697 30 20 CHED CC[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 902882690 VGPCQWMZISCVAG-IAGOWNOFSA-N 284.403 3.701 30 20 CHED C=CCC1(C(=O)OC[C@@H]2CCC[C@@H](O)C2)CCCCC1 838153124 BRKGCDOFNUHFAJ-HUUCEWRRSA-N 280.408 3.607 30 20 CHED CCC[C@@H](C)C(=O)OCCCCC1(C#N)CCC1 908917014 PTSVWFXZHZWURY-CYBMUJFWSA-N 251.370 3.830 30 20 CHED C[C@@H](C[C@H]1CCOC1)Nc1cc(C#N)ccc1C(F)(F)F 589583421 BAJMRAXPXBJIHC-CMPLNLGQSA-N 298.308 3.804 30 20 CHED CC(C)c1ncc(C=NNCc2ccccc2F)s1 835012563 ZPLPHLPSGPFTPG-UHFFFAOYSA-N 277.368 3.529 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1sc(C)cc1C 908634654 POZNTBNDCWUEGY-CYBMUJFWSA-N 291.416 3.505 30 20 CHED CCO[C@H]1CCCC(=NNc2ccc3ccccc3n2)C1 905418654 JLDDFKGGMHHARH-HNNXBMFYSA-N 283.375 3.982 30 20 CHED CC[C@H](NCc1ccoc1C)c1cccc(C#N)c1 902772438 RIHLGTZKKAQELQ-INIZCTEOSA-N 254.333 3.701 30 20 CHED C=C(CNC1CCN(c2ccccc2)CC1)c1ccccc1 675784170 VMJGMMYPBDRQNQ-UHFFFAOYSA-N 292.426 3.958 30 20 CHED N#Cc1cccc(C(=O)OCC2CCC(F)(F)CC2)c1 837328997 ISMUDHYCUMOOEQ-UHFFFAOYSA-N 279.286 3.541 30 20 CHED C=C1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)CC1 731052034 BLDQHGYJVZFDRW-SFHVURJKSA-N 299.414 3.866 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCC[C@H](O)c1ccccc1 831732358 HXVHFTOEXDTLJS-WBVHZDCISA-N 289.419 3.751 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1 670194595 RRLPIPNPAYKECG-UHFFFAOYSA-N 298.434 3.689 30 20 CHED CC(C)c1cccc2c1OCCCC2=NNc1ccncn1 835002691 RNGGPPWCJRDHJN-UHFFFAOYSA-N 296.374 3.589 30 20 CHED COC(=O)c1ccc(NN=C2CCC23CCCC3)cc1F 835018748 SWUDFNQEWFUWLO-UHFFFAOYSA-N 290.338 3.734 30 20 CHED CC[C@H](C)NC(=S)Nc1ccccc1SCCC#N 730953067 LYZQCIVDINGKIE-NSHDSACASA-N 293.461 3.777 30 20 CHED C[C@@H]1CCC[C@@H](C)N(c2nc(C#N)c(Cl)s2)C1 596147081 RWUMXHMMUCLLBR-RKDXNWHRSA-N 269.801 3.683 30 20 CHED CC(C)C#CC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 831800296 SXRXQCJXTSJZAR-QGZVFWFLSA-N 285.362 3.537 30 20 CHED CC(C)[C@H](CNC(=O)C#CC1CC1)c1ccc(Cl)cc1 837643485 PAPCIVXZRUIUFN-INIZCTEOSA-N 289.806 3.609 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2csc(Cl)c2)C1 839058116 JDERJBAGAQIUJL-WPRPVWTQSA-N 269.753 3.641 30 20 CHED COc1ccc(NC(=O)N(C)[C@H](C)CC#N)c2ccccc12 599887801 MAZCMEAARUHRAI-GFCCVEGCSA-N 297.358 3.614 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 594087978 NTURBDZGFHBCQY-RBSFLKMASA-N 284.403 3.737 30 20 CHED C[C@@H](C(=O)N(CCC#N)CC1CC1)c1ccc(Cl)cc1 593452197 ULGCCRKWPGCXLB-GFCCVEGCSA-N 290.794 3.596 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 593421059 UWBBPVQYHMEJNC-STQMWFEESA-N 284.359 3.892 30 20 CHED Cc1cccc2cc(C(=O)N(C3CC3)[C@H](C)C#N)sc12 598135252 RFGGBHGJVFBEQQ-LLVKDONJSA-N 284.384 3.726 30 20 CHED Cc1cc(-n2c(C)cc(C=NNc3ccccc3)c2C)no1 917022370 JPKMVIQFBAGFMG-UHFFFAOYSA-N 294.358 3.837 30 20 CHED N#CCCCCCC(=O)N1CCc2cccc(Cl)c2C1 590916648 JUSJAGGPWQKIKL-UHFFFAOYSA-N 290.794 3.699 30 20 CHED C=CCN(C(=O)c1ccc(OCC)c(OCC)c1)C(C)C 918701205 OLMWHMROJGGNCB-UHFFFAOYSA-N 291.391 3.521 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 748677061 HQMXWTYILSEQOV-SHPPOPEUSA-N 269.344 3.599 30 20 CHED COc1cc(N[C@@H]2CCC[C@@H](C#N)C2)cc(Cl)c1OC 846048761 KYOAUDLLVPPCFX-GHMZBOCLSA-N 294.782 3.851 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2ccc(C(C)C)cc2)n1 598857481 XDVLRDLDOOBUAY-UHFFFAOYSA-N 293.370 3.946 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(SC)ccc1Cl 596983732 IIBXGJNUOXORTB-VIFPVBQESA-N 297.811 3.876 30 20 CHED C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1CC)C1CCCCC1 744844688 SUTJRZHEAAAGQR-DOTOQJQBSA-N 290.451 3.933 30 20 CHED CCC(=NNc1nccnc1C1CCC1)[C@@H]1C[C@H]1C 841638495 USORVOQYJNXLRN-ZYHUDNBSSA-N 258.369 3.578 30 20 CHED Cc1cc(N2CCC[C@H](CC#N)C2)c2cccc(F)c2n1 596327775 CBIAGYBZNNJMAQ-CYBMUJFWSA-N 283.350 3.812 30 20 CHED CC[C@@H](C)NC(=S)N(CC(C)C)c1ccc(C#N)cc1 749765899 CRIIPCVOPZPTSQ-CYBMUJFWSA-N 289.448 3.694 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@H](c2ccccc2)c2ccccc21 593656245 DWKAWDGKGFHEBI-RHSMWYFYSA-N 290.366 3.715 30 20 CHED Cc1cccc(CSC[C@@H](O)CC(C)(C)C#N)c1 598705464 KCMMOASVOZMWSD-AWEZNQCLSA-N 263.406 3.529 30 20 CHED O=[N+]([O-])c1ccccc1NN=CCCc1ccccc1 916250243 RHWWNBAXFIMJCI-UHFFFAOYSA-N 269.304 3.625 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1cc(C)ns1 749240460 JRQOHIOZUIIOSJ-UHFFFAOYSA-N 293.417 3.733 30 20 CHED C=C[C@H](C)ON=C(C)c1ccc(Cl)c([N+](=O)[O-])c1 844623664 PQLQVMGGBJVCJL-QMMMGPOBSA-N 268.700 3.563 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1cccc(F)c1 748999134 KLRJZKQEJRRNIG-GQCTYLIASA-N 261.683 3.770 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC2(CCCC2)C1 846898357 XJMFSDMWWCSDGA-OAHLLOKOSA-N 296.414 3.530 30 20 CHED N#Cc1ccc(N(C(=O)CCC2CC2)C2CCC2)cc1 598887625 YZFWLIMOCRHELO-UHFFFAOYSA-N 268.360 3.634 30 20 CHED CC[C@@H](CC#N)NCCCOc1ccc2ccccc2c1 594009442 OVUYDUYNIDTJJR-KRWDZBQOSA-N 282.387 3.891 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)CCC1 682905140 XJJMMLPDYOXGDG-NVXWUHKLSA-N 269.388 3.579 30 20 CHED COc1cc(CNC2(c3ccccc3C)CC2)ccc1C#N 592372862 YDYNTUPLHIVNTD-UHFFFAOYSA-N 292.382 3.654 30 20 CHED CSc1c(F)cccc1N[C@H]1CC[C@H](C#N)C1 597175871 QXAKSTMHJKBLBI-UWVGGRQHSA-N 250.342 3.652 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 749613368 UXSCFEJZZWUANN-QGZVFWFLSA-N 283.375 3.713 30 20 CHED CC(C)CN(CC(C)C)C(=O)Nc1cccc(C#N)c1 47338314 QHAFFORUBBGHDL-UHFFFAOYSA-N 273.380 3.704 30 20 CHED C=CCCCOC(=O)c1ccc(C(F)F)cc1F 847655723 QSTZKGOHTBMXSC-UHFFFAOYSA-N 258.239 3.886 30 20 CHED CCN(C[C@@H](O)c1ccc(C)cc1)[C@@H](C#N)c1ccccc1 851789928 GBNRRWLTJAMRPY-RBUKOAKNSA-N 294.398 3.615 30 20 CHED C=CCCN[C@H](c1nc(Br)cs1)C1CC1 850502979 YHNOAOXMMYDXTI-JTQLQIEISA-N 287.226 3.522 30 20 CHED C[C@H]1CCCCN1N=Cc1cccc(OCCCC#N)c1 853379841 LEKJFMHETABZFA-HNNXBMFYSA-N 285.391 3.577 30 20 CHED C=CCCOCC(=O)O[C@H](C)c1ccc(Cl)cc1 920731506 SIAINPMNEGOFNB-LLVKDONJSA-N 268.740 3.537 30 20 CHED CC(=NOCc1ccc(F)cc1)c1ccc(F)cc1 758144552 MNMHZHISCIWMFN-UHFFFAOYSA-N 261.271 3.906 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(C(C)(C)O)cc1 926685732 QHCMYSAVZJWERV-AWEZNQCLSA-N 293.476 3.874 30 20 CHED Cc1cc(F)ccc1C=NNc1oc(C(C)C)nc1C#N 750937078 MKHHBSPNJOSPAA-UHFFFAOYSA-N 286.310 3.563 30 20 CHED CC(C)CCOC(=O)Oc1cc(Cl)cc(C#N)c1 859160213 BGIVJGVLUHSBNE-UHFFFAOYSA-N 267.712 3.773 30 20 CHED Cc1ccc2occ(CC(=O)OCC3(CC#N)CC3)c2c1 859796007 NHXKVZIITQXHOR-UHFFFAOYSA-N 283.327 3.521 30 20 CHED Cc1nc[nH]c1C=NN(Cc1ccccc1)c1ccccc1 755466054 SZNFLKPBHCNWJM-UHFFFAOYSA-N 290.370 3.759 30 20 CHED CCOc1ccc(/C=N\Cc2ccc(F)c(F)c2)c(O)c1 920386813 FYJMHQGONYBSQP-GRSHGNNSSA-N 291.297 3.688 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1CSc2ccccc21 933110336 LGRKCVKEAAEIMZ-WCQYABFASA-N 261.390 3.552 30 20 CHED N#CC1(CC(=O)O[C@@H]2CCCC[C@H]2F)CCCCC1 851030920 BRTHUSJFRLEFPV-CHWSQXEVSA-N 267.344 3.674 30 20 CHED C=C1CCN(C(=O)Nc2ccc(Cl)cc2OCC)CC1 930366713 IJTXAKCTFCOCNQ-UHFFFAOYSA-N 294.782 3.923 30 20 CHED CC1(C)CN(C(=O)Cc2ccccc2CC#N)CC(C)(C)C1 767191017 KVSDUGQWEQYCMI-UHFFFAOYSA-N 298.430 3.580 30 20 CHED C#CCCN1CCC[C@@H]1c1cc(F)cc(Br)c1 767877074 SZMCSRVYXMYGNI-CQSZACIVSA-N 296.183 3.748 30 20 CHED Fc1cccc(Oc2ccc(C=NNCC(F)F)cc2)c1 766453212 ALVAXFFQYITOAB-UHFFFAOYSA-N 294.276 3.807 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1 933101327 MNSVCUQJTHEBOC-OAHLLOKOSA-N 293.317 3.782 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(CC2CCCCC2)[nH]n1 768709725 GSHPWDFBAIRVNZ-UHFFFAOYSA-N 287.407 3.521 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc(F)c([N+](=O)[O-])c1 766028576 CTJDDVHLRMHIAR-SECBINFHSA-N 279.315 3.958 30 20 CHED O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccco1 769772024 VAWYSIPGVWHLTR-HJWRWDBZSA-N 265.268 3.831 30 20 CHED N#Cc1cccc(/C=C2/CCc3ccc(F)cc3C2=O)c1 776191658 FLEWCHDBNZVMGW-DHDCSXOGSA-N 277.298 3.910 30 20 CHED C[C@H](OC(=O)[C@@H](F)Cc1ccccc1)c1cccc(C#N)c1 778301946 VMZZZJUSZGTWDN-GUYCJALGSA-N 297.329 3.743 30 20 CHED CC(C)OCCNN=C1CCSc2ccc(Cl)cc21 778547812 LNFHNRWWDNVGED-UHFFFAOYSA-N 298.839 3.555 30 20 CHED Cc1cc2cc(C(=O)OCC3(C#N)CC3)oc2cc1C 775861414 LQYKGJXHEBKIFA-UHFFFAOYSA-N 269.300 3.510 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)s1 1118303091 OCWXGODTFLDJIN-QWHCGFSZSA-N 260.406 3.632 30 20 CHED C=C(CC)COC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 773515937 PHZFRLMWNIMEQQ-QWRGUYRKSA-N 266.287 3.578 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1ccoc1 776785610 KERYMOYHXJLMFA-UHFFFAOYSA-N 265.316 3.972 30 20 CHED CC(C)(C(=O)OCC#Cc1ccc(F)cc1)c1ccccc1 771320521 ZNRXUBJVGUEJPL-UHFFFAOYSA-N 296.341 3.698 30 20 CHED COC[C@H](C)C(C)=NNc1ccccc1C(F)(F)F 777879417 PDFPCRRHRDWUMW-VIFPVBQESA-N 274.286 3.776 30 20 CHED CCC(=NNc1cccc(OC)n1)c1cc(C)ccc1OC 779819914 XJXZPIAJIGEAEA-UHFFFAOYSA-N 299.374 3.633 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1ccc(C#N)cc1 774134456 ZRJLUODBOOCRBI-SFHVURJKSA-N 275.355 3.671 30 20 CHED N#Cc1cccc(NN=CCCc2ccc3c(c2)CCO3)c1 774360551 HFYKZRBAPVGSFP-UHFFFAOYSA-N 291.354 3.524 30 20 CHED CCCCC[C@@H](C(=O)OCC1(C#N)CC1)C(C)C 775865740 IHEOZBJSCVISLX-CYBMUJFWSA-N 251.370 3.686 30 20 CHED CC(C)n1cc(/C=C2/CCc3ccc(F)cc3C2=O)cn1 776192088 HWZWRGSZXSJSOW-AUWJEWJLSA-N 284.334 3.816 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 779927330 YZSRPVGMACDTRK-LSDHHAIUSA-N 263.425 3.901 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 888360804 QQYOACKUROHNKV-LBPRGKRZSA-N 289.354 3.741 30 20 CHED CCCc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1 1129715605 KRTBUQZKIDRNLJ-UHFFFAOYSA-N 282.318 3.902 30 20 CHED CCCCCCCC(=O)N[C@H](CO)[C@H](C)c1ccccc1 771486617 RBRIVHCDTQCXEA-NVXWUHKLSA-N 291.435 3.628 30 20 CHED C=CC(C)(C)CC(=O)N(CC)[C@H](CC)c1ccncc1 889114540 HMLZAGFMTPIZEU-OAHLLOKOSA-N 274.408 3.984 30 20 CHED C#CCCCCC(=O)OCc1cc(Cl)ccc1F 787770646 NPKXTMZAYFLKBW-UHFFFAOYSA-N 268.715 3.716 30 20 CHED C[C@H](C=NOC[C@H]1CCOC1)CC1CCCCC1 788034149 OTSDQBZFHXJRMH-ZFWWWQNUSA-N 253.386 3.632 30 20 CHED CN(CCCSCC#N)Cc1cccc2ccccc12 74981846 ICKFJXZXWWLSSN-UHFFFAOYSA-N 284.428 3.918 30 20 CHED CCC(=NNc1cccc2c1CCCC2)c1cn[nH]c1 788994374 JDCLBCUSBFAJDR-UHFFFAOYSA-N 268.364 3.515 30 20 CHED Cc1cc(COC(=O)[C@H](C)c2cccs2)ccc1C#N 783746214 ROOBJRKVYWKSCX-GFCCVEGCSA-N 285.368 3.775 30 20 CHED Fc1ccc(NN=C2CCOC3(CCCCC3)C2)nc1 884429437 JDVZMHKUJILZJK-UHFFFAOYSA-N 277.343 3.502 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(Cl)c(F)c2)cc1 785650034 NVCRYMKOODLGHJ-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCOC(F)(F)F 788674362 IDLQJXWUBBNOKI-GIJQJNRQSA-N 283.249 3.501 30 20 CHED CC(=NNc1ccnc(F)c1)c1cccc(Cl)c1 781133449 WABXCQUQJYFIAC-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CC(C)[C@@H](C)C(=O)OCc1ccc(C#N)cc1Cl 784228305 FFKWBCFPQHHZNG-SNVBAGLBSA-N 265.740 3.547 30 20 CHED CC(C)(C#N)CC(=O)O[C@H](c1ccccc1)c1cccnc1 786397101 DPLLXMUZWRNQFM-QGZVFWFLSA-N 294.354 3.654 30 20 CHED C=CCCN(C)C(=O)/C(C)=C/c1ccccc1Cl 786672562 YRHRQEYIOQHVHJ-VAWYXSNFSA-N 263.768 3.778 30 20 CHED C=CCCCCCOC(=O)CC[C@@H]1CC[C@H](C)O1 783942833 HIBMOZDXYUFIEI-KBPBESRZSA-N 254.370 3.624 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(Br)nc1 893406120 ITIBFZLMLPHREO-SECBINFHSA-N 282.185 3.584 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C/c1ccc2ccccc2n1 785861502 CHQMIPLUJXLIKX-GZKZCVOOSA-N 292.382 3.815 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 393755545 HOCNOVJYNQLJMC-RRFJBIMHSA-N 296.455 3.767 30 20 CHED CC(C)(C)Oc1cccc(NCc2cccc(C#N)n2)c1 897754202 DCHWBXRMPGLOAV-UHFFFAOYSA-N 281.359 3.743 30 20 CHED CCc1onc(C)c1/C=C1/CCc2ccc(OC)cc2C1=O 899360738 OSVSKKURCVALJT-LCYFTJDESA-N 297.354 3.767 30 20 CHED CCCC(CCC)C(=O)N(CCC#N)CC(F)(F)F 410527449 SQABURIBJBTIEF-UHFFFAOYSA-N 278.318 3.507 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cccc(O)c2)c(O)c1 799895966 SMXAUYUOGJVBBU-SREVYHEPSA-N 268.312 3.611 30 20 CHED C[C@@H](NC[C@@H]1CCC(F)(F)C1)c1ccc(OCC#N)cc1 797585645 KKKVEQQCIDNPGF-CHWSQXEVSA-N 294.345 3.675 30 20 CHED CC(C)(CCOC(=O)c1ccc(C#N)o1)c1ccccc1 797232039 HLTPCRFYKCVDQF-UHFFFAOYSA-N 283.327 3.676 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCCCF 556498089 WLWCJZODFXXLPQ-IRXDYDNUSA-N 274.383 3.898 30 20 CHED CC(=NNc1cccc(F)n1)c1cnc2ccsc2c1 795007263 WRIYOMLOTJKDSD-UHFFFAOYSA-N 286.335 3.667 30 20 CHED C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@@H](C)C1(F)F 599118169 QLKNCPFJJXKQIO-NXEZZACHSA-N 284.737 3.939 30 20 CHED C=C[C@@H]1CCCCN1C(=S)NCCCCC(F)(F)F 794988562 RAMSQFLNLZSBDI-LLVKDONJSA-N 294.386 3.634 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCc3c(C)cccc32)cc1C#N 799332880 FEHHUZLPOHVVIN-SFHVURJKSA-N 290.366 3.592 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(Cl)nc1Cl 717672196 CPGOOJLMVGISQZ-UHFFFAOYSA-N 287.190 3.863 30 20 CHED C=CCCCCC[C@H](C)NCc1cccc(N(C)C)n1 793552646 ZWUICYAFGQJVNS-HNNXBMFYSA-N 275.440 3.762 30 20 CHED O=C(/C=C/c1ccc(F)cc1Cl)c1ccnc(F)c1 794722852 XKXNRFXMLBGBHA-DUXPYHPUSA-N 279.673 3.909 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1coc(C(C)C)n1 799477917 LOQMHHIODZYJGZ-LBPRGKRZSA-N 271.364 3.873 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)o1 796773498 BPTOYIZGMWSUHH-RWMBFGLXSA-N 273.332 3.667 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)C1CCCCC1 798038004 RPOFFHPOOQZORY-ZBFHGGJFSA-N 293.451 3.690 30 20 CHED Cc1cc(C)nc(COc2ccc(C#N)c(Cl)c2)c1 723627628 SAIQFLMQONKUTI-UHFFFAOYSA-N 272.735 3.803 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C/C(=O)c1ccc(O)cc1 794927978 UIXHCVPESLUVNA-VMPITWQZSA-N 296.322 3.603 30 20 CHED Oc1ccccc1/C=N/[C@H]1C[C@H](c2cccc(F)c2)C1 797784940 OQYJDOBPGQPHKJ-OWLXYCIXSA-N 269.319 3.896 30 20 CHED CC1(C)CC(C(=O)OCc2ccc(Cl)cc2C#N)C1 797243764 ZISAUVWIYBSXSB-UHFFFAOYSA-N 277.751 3.691 30 20 CHED C=CCNC(=S)N(Cc1ccccc1Cl)CC1CC1 795117216 YLXCGPHOXQTANN-UHFFFAOYSA-N 294.851 3.613 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H]([C@H]2CCCCO2)C1 595787026 FMHAKGWJHPPQAE-JKSUJKDBSA-N 278.440 3.597 30 20 CHED Cc1c(NC(=O)c2ccccc2CC#N)ccc(F)c1F 1142080492 HCRPBJPCIYWJSM-UHFFFAOYSA-N 286.281 3.592 30 20 CHED CCCN(CC#N)C(=O)[C@H](C)Sc1ccc(Cl)cc1 98022229 YVPZKQUNJPHDSN-NSHDSACASA-N 296.823 3.583 30 20 CHED CC(C)[C@H](Sc1cccnc1C#N)C(=O)c1ccccc1 1307342880 SELGCEYNLGAMAJ-KRWDZBQOSA-N 296.395 3.953 30 20 CHED CSC1(CNc2ncc(C#N)cc2F)CCCCC1 1164158617 QZXJAOZOUYVZGG-UHFFFAOYSA-N 279.384 3.570 30 20 CHED COc1cc(NC(=O)CC#Cc2ccccc2)ccc1Cl 1322353257 UZSAREIXDGPERJ-UHFFFAOYSA-N 299.757 3.729 30 20 CHED CC(C)c1cccc(CN2CCC[C@](C)(C#N)C2)c1 1653856011 VUOKGOCZSAZEON-QGZVFWFLSA-N 256.393 3.936 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2cc(C)oc2C)C1 1330621701 KSQWCIBLGFRTPF-UKRRQHHQSA-N 290.407 3.955 30 20 CHED C=C(C)CCC(=O)N1CCC=C(c2ccccc2)C1 1335955129 CDCXLAWOZQKFEA-UHFFFAOYSA-N 255.361 3.659 30 20 CHED C#CCCOC(=O)c1nc(-c2ccccc2)oc1C(C)C 1339982931 HRCPCSQZJTVHOE-UHFFFAOYSA-N 283.327 3.645 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 1337165301 PQYOCSKVHYATGM-NVXWUHKLSA-N 271.404 3.995 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1C)[C@@H](C)CC 1264397654 OZCAYBPOGJMDBZ-AWEZNQCLSA-N 272.392 3.908 30 20 CHED C[C@H]1CCCC[C@@H]1c1nnc(-c2cccc(C#N)c2)o1 1349987321 VLPQCSQBQKHAEY-FZMZJTMJSA-N 267.332 3.902 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@@H](C)[C@@H]1C 1346485072 WNUBAMYCXVAWQX-AGIUHOORSA-N 294.468 3.513 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1347353220 MPTUTMXMGPZGSK-OAHLLOKOSA-N 282.387 3.840 30 20 CHED CCCC[C@@](C)(F)C(=O)OCCc1ccc(C#N)cc1 1261592008 XECZYBAUGYJYMN-MRXNPFEDSA-N 277.339 3.562 30 20 CHED Cc1cc(C)c(C(=O)OCc2ccccc2C(C)(C)C#N)[nH]1 1340599503 GSIUOTNCIQZREE-UHFFFAOYSA-N 296.370 3.790 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(C#N)c1C 1347879651 WFKDVSVPWDVGMT-SWLSCSKDSA-N 270.376 3.660 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 1435040303 DFZOQCPOQKEXOC-WBMJQRKESA-N 288.366 3.786 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1cc(Cl)ccc1F 1435800219 XKSANMCZELPBKO-OTYXRUKQSA-N 282.746 3.596 30 20 CHED Cc1cc(C#N)cnc1C(=O)NCC1(C)CCC(C)(C)CC1 1529118742 VUNGSYGMQILQSW-UHFFFAOYSA-N 299.418 3.598 30 20 CHED CCC[C@H](CC)C(=O)Nc1nc2cc(C#N)ccc2n1CC 1535719079 MJHJUOFACRWRRJ-ZDUSSCGKSA-N 298.390 3.693 30 20 CHED Cc1ccc(CON=Cc2ccc(C(=O)O)cc2)cc1C 1600421402 TZMBDPOCVAYUQM-UHFFFAOYSA-N 283.327 3.552 30 20 CHED CN(C(=O)c1ccc(F)c2occc12)c1ccc(C#N)cc1 1538805051 USAIXYUOPCHFJW-UHFFFAOYSA-N 294.285 3.720 30 20 CHED CN(CCSc1ccc(C#N)cc1)Cc1ccccc1 1472977772 HUEBXDFKTWDDTD-UHFFFAOYSA-N 282.412 3.782 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2cc3ccccc3o2)c1 1610866266 OCARPXGDFRAVFR-AATRIKPKSA-N 282.251 3.620 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(C3=CCCC3)cc2)n1 1611048571 OLUNZTJDZYARAU-UHFFFAOYSA-N 289.338 3.773 30 20 CHED C=C(CNC(=O)N1CC(C2CCCCC2)C1)c1ccccc1 1470421178 ZDVVCFQIXVEDPP-UHFFFAOYSA-N 298.430 3.922 30 20 CHED N#Cc1cnnc(Nc2ccc3nc(C4CC4)sc3c2)c1 1639353519 OTQYGOXQDCNNIR-UHFFFAOYSA-N 293.355 3.579 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1cccc(C#N)c1F 229593723 VXDZLABMZRZNLS-XUJVJEKNSA-N 260.356 3.612 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 1568983261 CJQSVKRAYIIRAU-KBPBESRZSA-N 293.370 3.958 30 20 CHED N#Cc1ccc(F)cc1COc1cc(Cl)ccc1C#N 230214131 OBDPKTSOMGEVHI-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC 1633875594 JIUISGOQQRWCPO-KBPBESRZSA-N 285.391 3.755 30 20 CHED Cc1cc(N(C)C[C@@H](C)C2CCCCC2)ncc1C#N 1652116472 YJCVRKQKRMMCFT-CQSZACIVSA-N 271.408 3.914 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCCc1ccc(C#N)cc1)C2 1653362476 IAXJMROEYLGFNM-SCTDSRPQSA-N 282.431 3.905 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(C)cc1OC 1656390510 HXZQKVFBXJTTQP-UHFFFAOYSA-N 296.370 3.886 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(C)c1cccc2ccccc12 1583413731 UUSMPLVJWSKABK-UHFFFAOYSA-N 289.338 3.625 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1Cl 1584959725 ASRDXIRXYXKEEI-UHFFFAOYSA-N 270.719 3.772 30 20 CHED O=C(O)c1ccc(NN=C/C=C/c2ccccc2)cc1F 1776077188 YQSOCCUBCKWDMH-ONUNCVQHSA-N 284.290 3.635 30 20 CHED O=C(/C=C\c1c(F)ccc(C(=O)O)c1F)c1ccccc1 1776114555 SEHMOYMRJVZDHU-CLFYSBASSA-N 288.249 3.559 30 20 CHED C=CCCC[C@H](NC/C=C/c1ccc(Cl)cc1)C(=O)O 1776171214 KWDBWHWORDXADW-NFAHFFEMSA-N 293.794 3.752 30 20 CHED Cc1c(NN=C/C=C\c2ccc(F)cc2)cccc1C(=O)O 1776087563 JHYDPSZDAPSLKP-YEYGOYOGSA-N 298.317 3.943 30 20 CHED C=CCCC1(C(=O)O)CCN(CCSC(C)(C)C)CC1 1776168861 QTKPYBWYEIETOI-UHFFFAOYSA-N 299.480 3.651 30 20 CHED C[C@@H]1Cc2ccccc2C(=O)/C1=C/c1ccc(C(=O)O)s1 1776665816 DJXZQBGIBBWCAZ-GMROUXNLSA-N 298.363 3.905 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)c1cccc(C#N)c1 162991381 POWPFQVKXINNBA-HUUCEWRRSA-N 296.395 3.695 30 20 CHED CC1(C)C[C@@H](Nc2c(Cl)cccc2C#N)CCO1 160714495 RMCYLWFUXYRXOI-NSHDSACASA-N 264.756 3.581 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCc3cc(F)ccc32)n1 160790259 JZOIHGSOVZVSJJ-HNNXBMFYSA-N 267.307 3.500 30 20 CHED C=CCN(C(=O)c1cc(F)c(F)c(F)c1)C(C)(C)C 165232363 BBRGFVWHNFLWRP-UHFFFAOYSA-N 271.282 3.531 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(OC)cc2OC)c1 200878271 XPQRSJJRQATFAP-YFHOEESVSA-N 298.338 3.609 30 20 CHED C=CCC[C@H](NC(=O)N[C@H](C)CC)c1ccccc1 156118845 DHCVTXKYRREPLJ-HIFRSBDPSA-N 260.381 3.792 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1CSC 157614188 DBOXLBRSTFOMNK-CYBMUJFWSA-N 257.443 3.701 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1cccc(Cl)c1 157647827 LMRRTLXEKXYFLW-RYUDHWBXSA-N 250.773 3.883 30 20 CHED CCCc1ccc(OC[C@@H](O)c2ccc(C#N)cc2)cc1 154158843 PVJLYANJFXLBJM-GOSISDBHSA-N 281.355 3.623 30 20 CHED C[C@H](C#N)Oc1ccc(-c2nc3cc(Cl)cnc3[nH]2)cc1 154704590 VQEGHPQIOKLWLC-SECBINFHSA-N 298.733 3.569 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(CCC#N)Cc2cccnc2)o1 159052660 ZJYGNCDZBJIFGL-WMLDXEAASA-N 295.386 3.714 30 20 CHED COc1cc(C#N)ccc1CSCc1c(C)noc1C 159555168 RBAPDUBWYOMKAN-UHFFFAOYSA-N 288.372 3.605 30 20 CHED CCCc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1 125766131 OASMZLHWXXVUSF-UHFFFAOYSA-N 256.349 3.517 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CC[C@@H](C)[C@@H](C)C1 1205347396 NHBCJPUPJCXKBG-MBNYWOFBSA-N 258.365 3.803 30 20 CHED C#Cc1ccc(CNCc2c(F)cccc2Cl)cc1 809612214 XIFZTLOSDLLWFO-UHFFFAOYSA-N 273.738 3.750 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cccc(C2CC2)c1 847398538 DDBFEHUENRPGPA-UHFFFAOYSA-N 270.376 3.576 30 20 CHED CCSCC[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 128423958 IMSNMZGCSJKGGB-ODIFPOPNSA-N 288.460 3.732 30 20 CHED Cc1cc(C#N)ccc1Oc1nc(Cl)cs1 1162360523 ARLPZHBMPYPEFK-UHFFFAOYSA-N 250.710 3.769 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3ccccc32)s1 135666591 ZVRMWDJUXCLTPT-INIZCTEOSA-N 268.385 3.787 30 20 CHED C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)[C@@H](C)[C@H]1C 1307146850 JWOFXPPJNSTMPH-AGIUHOORSA-N 271.408 3.731 30 20 CHED C[C@H]1CCCC[C@H]1CNCc1ccc(C#N)cc1F 42862849 RLWPUIVMRUFGDH-JSGCOSHPSA-N 260.356 3.613 30 20 CHED Cc1nc(C)c([C@H](C)NCc2cc(C#N)ccc2F)s1 40518825 CHEYVTBHDBUGSI-VIFPVBQESA-N 289.379 3.622 30 20 CHED N#Cc1cccc(CCNCCC2CCCCC2)c1 467544867 XYNBNLBTFNVYDT-UHFFFAOYSA-N 256.393 3.661 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)CC1 404251320 KUXANMYEBDKUSQ-DOMZBBRYSA-N 260.356 3.756 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 404249645 INOQHNBMHQTBMO-CYBMUJFWSA-N 260.356 3.709 30 20 CHED CC(C)(C)[C@H]1CCCN(c2ccnc(C#N)c2)CC1 83729510 IRZPTQXBLBGKIR-ZDUSSCGKSA-N 257.381 3.606 30 20 CHED COc1ccc(CNc2cc(C)ccc2C)cc1C#N 87822463 NSRQNBUYNZGGOP-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@H](O)c1ccc(F)cc1 692250012 BXSRYGYIWIUXHQ-KBRIMQKVSA-N 277.383 3.584 30 20 CHED CC[C@@H](C#N)NC(=O)Cc1csc2ccc(Cl)cc12 179295904 DLICKRDROMETRE-NSHDSACASA-N 292.791 3.516 30 20 CHED CCN(C(=O)c1cc(F)ccc1C)c1ccc(C#N)cc1 174079893 LEUXFWBWVAJUQV-UHFFFAOYSA-N 282.318 3.673 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)c1ccc(Cl)s1 175983352 QKNLAXCFSOSVIZ-NOZJJQNGSA-N 284.812 3.559 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)Cc1ccsc1 175786899 RZWRZOSMPJRZPI-UHFFFAOYSA-N 299.399 3.623 30 20 CHED Cc1ccc(C)c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 116804412 FLEDJHPFDDFEOS-DYVFJYSZSA-N 270.376 3.506 30 20 CHED C=CCCO[C@H](C)C(=O)N(c1ccccc1)C1CCCC1 108745328 SQHJRHQOKOEUGF-OAHLLOKOSA-N 287.403 3.943 30 20 CHED CC(C)Oc1cccc(CNCc2ccc(C#N)cc2F)c1 105642637 WZBVOWOYRGVSTG-UHFFFAOYSA-N 298.361 3.774 30 20 CHED Cc1c(Cl)c(CN(C)[C@@H](C)CC#N)nc2ccccc12 345944134 YZLTXWHCIQUMHU-NSHDSACASA-N 287.794 3.931 30 20 CHED C=CCCC(=O)N[C@@H](CC(C)C)c1ccccc1OC 173584902 QNZGVZCDQFVWRT-HNNXBMFYSA-N 275.392 3.865 30 20 CHED COc1cccc(/C=C2\Cc3cc(F)ccc3C2=O)c1 114992283 UMEGOCKFFTZASX-NTUHNPAUSA-N 268.287 3.657 30 20 CHED CCCCCCCN1CCCN(CC(F)(F)F)CC1 119028617 NSLKGGNUSMCIMP-UHFFFAOYSA-N 280.378 3.527 30 20 CHED N#CCCCSc1ncc(-c2ccc(F)cc2)[nH]1 61142930 DGPPVHIXLPNRQK-UHFFFAOYSA-N 261.325 3.612 30 20 CHED CC[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 26302442 LTYXEMVHKWAYLO-RNEAKCBISA-N 298.342 3.913 30 20 CHED CCC(CC)CC(=O)N[C@H](C#N)c1ccccc1Cl 177758675 KYISSKPWPIMLEB-CQSZACIVSA-N 278.783 3.847 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 173301103 GHOAENWIABVQQX-AZUAARDMSA-N 295.426 3.705 30 20 CHED C[C@H](CC(=O)Nc1cnc(C#N)c(Cl)c1)C(C)(C)C 411034554 SFFUXPJNGADYHV-SECBINFHSA-N 279.771 3.617 30 20 CHED CCN(CCC#N)CCOc1ccc(Cl)cc1Cl 348540165 DYTGWFYFLMYTAH-UHFFFAOYSA-N 287.190 3.608 30 20 CHED CCc1nc([C@H](C)/N=C/c2cc(OC)ccc2O)cs1 110129739 KDJBGLUKZXBWEJ-MDKXCRPYSA-N 290.388 3.600 30 20 CHED C[C@@H](Nc1ccc2cc(C#N)ccc2n1)c1ccccn1 179880747 FCJWQJHZRAOEES-GFCCVEGCSA-N 274.327 3.675 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CCCO[C@H]1CC(C)C 186338177 GJRYMCUQQZSSSZ-MSOLQXFVSA-N 286.419 3.550 30 20 CHED C=CCCCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 179993444 WTKOLRJPUKNWJP-HNNXBMFYSA-N 293.794 3.676 30 20 CHED N#Cc1ccc(CNCCCc2ccc(Cl)cc2)s1 176964247 FAWCVICQZOLQPN-UHFFFAOYSA-N 290.819 3.996 30 20 CHED C=CCCCC(=O)Nc1cccc(CN(CC)CC)c1 175256574 HQGZTEQJWCDJDE-UHFFFAOYSA-N 274.408 3.823 30 20 CHED C=CC[C@H](C)N[C@H]1CCc2ccc(Br)cc21 304219007 GZIIOWDRFUCLSQ-HZMBPMFUSA-N 280.209 3.991 30 20 CHED N#CCCCCNc1ncc(-c2ccccc2)s1 176920461 IUIBJJQQXSUJES-UHFFFAOYSA-N 257.362 3.916 30 20 CHED Cc1ccc(Cl)c2ccc(NC[C@H](C)C#N)nc12 302060612 SSHRMMBHGJFDGG-SECBINFHSA-N 259.740 3.768 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(C2CC2)cc1 418114017 KNHGRVONCBTTJO-ZDUSSCGKSA-N 279.387 3.625 30 20 CHED C=CC1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1 111256435 LXYZVZFSJLFDLP-UHFFFAOYSA-N 289.810 3.625 30 20 CHED C#CCCOc1ccc(CNc2ccc3c(c2)CCO3)cc1 172192438 VJFANBJUCJYFJP-UHFFFAOYSA-N 293.366 3.636 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Cc1c[nH]c2ccccc12 63960361 QNHALZCXFXEESN-UHFFFAOYSA-N 289.338 3.529 30 20 CHED CC1(C)CCc2ccccc2N1C(=O)c1cscc1C#N 410996114 JTNCVKCUSWERFI-UHFFFAOYSA-N 296.395 3.991 30 20 CHED CCOc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 37678716 HRZMTUBMNFFLJI-AWEZNQCLSA-N 280.371 3.808 30 20 CHED CC(C)C1CCC(NC(=O)c2ccc(C#N)cc2)CC1 478294197 NKHMZHISWBMBNK-UHFFFAOYSA-N 270.376 3.503 30 20 CHED CC(C)c1cccc2c1OC/C(=C\c1cccnc1)C2=O 125391936 AURFASYWDJAWOT-NTEUORMPSA-N 279.339 3.864 30 20 CHED CCN(CC)c1ccc(/C=N/Cc2ccncc2C)c(O)c1 189354843 JLVUQKPIIBDONB-DEDYPNTBSA-N 297.402 3.561 30 20 CHED C[C@@]1(CNc2ccc(Cl)cc2C#N)CCCC[C@H]1O 301485256 HBDITAQMTSXWLX-CABCVRRESA-N 278.783 3.565 30 20 CHED C=CCCCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 76182524 GHIMDZAVDMIIRJ-IUCAKERBSA-N 275.236 3.625 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(C[C@H](C#N)CCC#N)CC2 182249246 MEBVNWBRWKCJKM-HNNXBMFYSA-N 295.430 3.786 30 20 CHED Cc1ncsc1/C=C/C(=O)c1ccc(F)cc1F 78693084 NVVKETKLRLVNHO-SNAWJCMRSA-N 265.284 3.626 30 20 CHED CC[C@H]1CC[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 434017930 VQRNRDRUEQDMHW-RBSFLKMASA-N 276.424 3.744 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H](C=C)c2ccccc2)c1 128334734 LDRIOJTWRMLBKP-MRXNPFEDSA-N 275.351 3.966 30 20 CHED CC(C)c1ccc(CN(C)C[C@H](C#N)CCC#N)cc1 72589918 XAFUXKFAYVAVMY-INIZCTEOSA-N 269.392 3.685 30 20 CHED Cc1cc([C@@H](C)NCC(C)(C)CC#N)c(C)s1 414163419 IOGUVEKIRBXWCH-LLVKDONJSA-N 250.411 3.955 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2ccco2)cc1 505831781 JAHDLDGARVZJFZ-MRXNPFEDSA-N 296.370 3.501 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@@H](C)c1ccccc1Cl 128595623 FNWNCIOWPAPYJX-QWRGUYRKSA-N 266.772 3.617 30 20 CHED C=CCCN(C)C(=O)c1csc(C2CCCCC2)n1 412283861 YAFSFXUCHVHXDV-UHFFFAOYSA-N 278.421 3.839 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 412379058 NDIJFVFCEQILHO-UONOGXRCSA-N 277.795 3.772 30 20 CHED CCO[C@@H](CCN[C@H](C)c1cccc(C#N)c1)C(C)C 181846420 DIUKSULDHANVJY-PBHICJAKSA-N 274.408 3.660 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCc1ccc(C(C)(C)C)cc1 505341541 BVLRDINCLHFHHG-SFHVURJKSA-N 286.419 3.583 30 20 CHED C=C(C)[C@@H](NC(=O)NCC1CCC1)c1ccc(F)c(F)c1 187351536 MTPWXOQQINPORZ-OAHLLOKOSA-N 294.345 3.681 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CC[C@@H](C)c1ccccc1 410829746 SDMBCXFHSFPRSG-GDBMZVCRSA-N 272.392 3.721 30 20 CHED N#Cc1cc(Cl)ccc1CN(C#N)c1ccccc1 185379496 IZLGAHAPXWZVDZ-UHFFFAOYSA-N 267.719 3.699 30 20 CHED N#CCOc1cccc(NCc2cccc3c2NCCC3)c1 316421587 XVVNONNEOBQIHE-UHFFFAOYSA-N 293.370 3.559 30 20 CHED COc1ccc(C)cc1CN1CCCC(C)(C)[C@H]1C#N 444736108 PUDWXSNWGCXWOY-MRXNPFEDSA-N 272.392 3.518 30 20 CHED N#Cc1ccc(F)c(CN(Cc2ccccc2)C2CC2)c1 43648614 KMTVNFJKQWFXOQ-UHFFFAOYSA-N 280.346 3.862 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ccnn1C(C)C 414532584 HMVKIPNTSWJQCX-KRWDZBQOSA-N 283.419 3.741 30 20 CHED CC[C@H](CC(=O)Nc1ccc(C#N)cn1)c1ccc(C)cc1 78109794 ZSOFEUZTTQTIKZ-OAHLLOKOSA-N 293.370 3.784 30 20 CHED C=CC[C@@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1 186031966 INQOGEOGNBLEEA-GOSISDBHSA-N 297.373 3.844 30 20 CHED CC[C@@H](CC#N)NCCCCCOc1ccccc1 188486668 ZBCMRQHEEJFNMB-HNNXBMFYSA-N 260.381 3.518 30 20 CHED C[C@@H](NCCc1c(F)cccc1F)c1cccc(C#N)c1 181533501 JFHNYVUJIHJJHI-GFCCVEGCSA-N 286.325 3.730 30 20 CHED N#CC1(CCN2CCC([C@H]3CCCO3)CC2)CCCCC1 411601393 AFZMAWQTKYOWBL-QGZVFWFLSA-N 290.451 3.742 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 315523418 KDTGFYSORWIAIY-LRJGVJIGSA-N 297.358 3.703 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 412318928 RNLCQBQMKMHNND-DZGCQCFKSA-N 287.403 3.802 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2ccc(F)cc21 187823818 KJZNWCUBBLJMDV-MRXNPFEDSA-N 261.340 3.707 30 20 CHED Cc1cc(C)cc(-n2ccnc2SCC2(C#N)CC2)c1 500772207 PGVNVLIMLRVKJU-UHFFFAOYSA-N 283.400 3.885 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCc1ccc(C(C)C)cc1 500804764 KYIUICYASIORFU-HNNXBMFYSA-N 286.419 3.751 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCc2ccc(Cl)cc21 509375380 XNGJWRJVCXENOK-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=CCN(CC=C)C(=O)NCCc1ccc2ccccc2c1 505454317 WAIBBJNOXGQVHJ-UHFFFAOYSA-N 294.398 3.766 30 20 CHED Cc1ccc(CCCCC(=O)N(CCC#N)CC2CC2)cc1 505200713 CVWPJHZVCFWDHJ-UHFFFAOYSA-N 298.430 3.860 30 20 CHED CCC[C@@H](NCC(C)(C)CC#N)c1cccc([N+](=O)[O-])c1 414170570 SUVWVNPUDSWNDU-OAHLLOKOSA-N 289.379 3.965 30 20 CHED Cc1cccc(Cl)c1NC(=O)N(CCC#N)CC1CC1 132665363 NFKMSNYAPXHBSP-UHFFFAOYSA-N 291.782 3.806 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 84591216 NMJSUXIJQRUBMD-SUMWQHHRSA-N 280.371 3.752 30 20 CHED N#Cc1cccc(CN2CCC[C@H](Oc3ccccc3)C2)c1 411984051 MPHRLRGBNAKKKH-IBGZPJMESA-N 292.382 3.602 30 20 CHED C=CCC1(C(=O)N(CC)Cc2occc2C)CCC1 412811901 YZSSMEWIIUMKEP-UHFFFAOYSA-N 261.365 3.683 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2ncccc2c1 190647655 DLOFMNQOCQCWAG-MRXNPFEDSA-N 254.333 3.776 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C(=O)NCC1(C#N)CCC1 419631402 VEMCCUSNAOQCKX-MRXNPFEDSA-N 299.418 3.719 30 20 CHED C[C@H]1CCCC[C@@H]1OCCN(CCC#N)Cc1ccco1 81517764 BIPHAKWHMFKOQO-RDJZCZTQSA-N 290.407 3.591 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(C(=O)O)cc1)c1ccccc1 190599386 NZWDUQRJEWRLRV-ZDUSSCGKSA-N 295.338 3.683 30 20 CHED N#Cc1cccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 610271342 HURXYJFNZVMWPG-BRWVUGGUSA-N 254.377 3.617 30 20 CHED Cc1nccc(N/C(O)=N/[C@@H](C)c2cc(C)sc2C)n1 329640599 ZVQLGVKJUJMCGM-VIFPVBQESA-N 290.392 3.550 30 20 CHED Cc1coc(-c2cccc(N=C(O)N3C[C@@H]4CCC[C@@H]43)c2)n1 329933978 QHUCZASGPCOPSI-ZFWWWQNUSA-N 297.358 3.680 30 20 CHED N#Cc1ccc(NCc2cccc(O)c2)cc1C(F)(F)F 88191240 MSSXIFLTCBKKMK-UHFFFAOYSA-N 292.260 3.895 30 20 CHED C[C@H](OC(=O)c1cccc(-n2cccc2)c1)C(C)(C)C#N 131186097 XUMVMRQEDVSMDW-ZDUSSCGKSA-N 282.343 3.572 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(-n3ccnc3)c(F)c2)C1 193186253 FQNUVPMTSAHRGU-CHWSQXEVSA-N 284.338 3.506 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)c1ccc(-c2ccccc2)nn1 425555779 YXIRWPCKCSHNEM-UHFFFAOYSA-N 295.386 3.709 30 20 CHED CC[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)C(C)(C)C 517958311 BJEUOLYSIBCRKM-OAHLLOKOSA-N 287.407 3.524 30 20 CHED CCCCC[C@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 46888722 SZFBODVMIDHSOL-AWEZNQCLSA-N 287.407 3.668 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 88298788 OAOUGVSNRMNPSE-GHMZBOCLSA-N 261.325 3.703 30 20 CHED CC1(C)CN(c2nc(C(C)(C)C)ccc2C#N)CCS1 613426852 KMJYBIKBKBJKKU-UHFFFAOYSA-N 289.448 3.583 30 20 CHED C=CCCCN1CCC(c2ncccc2Cl)CC1 429209613 PKAWQBNQAQRJJP-UHFFFAOYSA-N 264.800 3.881 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425560065 IHQNJWBPNAEKCD-KBRIMQKVSA-N 299.418 3.695 30 20 CHED C=CCc1ccc(OC(=O)c2cc(C#N)cs2)c(OC)c1 83938031 BHORHLNTESKKQI-UHFFFAOYSA-N 299.351 3.576 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C2CCC(C)(C)CC2)C1 328855470 WYABAZPJDANHPV-JQWIXIFHSA-N 266.385 3.667 30 20 CHED Cc1coc(C)c1C(=O)N(C)c1cc(Cl)ccc1C#N 335984231 QLNPPJQDYNTUOH-UHFFFAOYSA-N 288.734 3.698 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1F 334738497 MQYJLNMZADCZPB-GOSISDBHSA-N 295.361 3.734 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 335082362 IALLEJISTQRJLD-CQSZACIVSA-N 279.424 3.587 30 20 CHED C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)CS1 86934944 QVPWLPPLDLPRPG-LDYMZIIASA-N 252.770 3.518 30 20 CHED CCCCCCCC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 195621191 MYLLUOZBQRXUMJ-CVEARBPZSA-N 282.472 3.584 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(CC#N)cc1 516846359 VZBDJOGPCREUJI-ZFWWWQNUSA-N 270.376 3.908 30 20 CHED C[C@H](c1noc(C2(C#N)CCCC2)n1)c1cccs1 336021751 LTOIVYDVYPPWNZ-JTQLQIEISA-N 273.361 3.618 30 20 CHED C=CCc1cccc(F)c1OCc1c(CC)noc1C 424095832 BHTXCQHVDFPQRA-UHFFFAOYSA-N 275.323 3.992 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(N)ccc21)c1cccc(C#N)c1 335479557 LPMZXCYYGBRCHT-ORAYPTAESA-N 291.398 3.869 30 20 CHED Cc1ncsc1CSc1ccc(C#N)cc1F 336189761 WREMCICTDRCOAF-UHFFFAOYSA-N 264.350 3.755 30 20 CHED CCc1cc(NC(=O)NCc2ccc(C#N)s2)ccc1C 421082133 BZDQLKONYAOCAW-UHFFFAOYSA-N 299.399 3.812 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccnc(C(F)(F)F)c1 336846343 MXZIVQPGRAVCBC-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 424974965 GDLLVPKCVWBWOI-ARFHVFGLSA-N 276.424 3.647 30 20 CHED Cc1ccncc1CN[C@@H]1CCCCc2cc(C#N)ccc21 334667641 LXKFJVMVMZRYOQ-LJQANCHMSA-N 291.398 3.819 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@@H](CC(C)C)C1 432563572 UGCKKUXFHAPFKO-AWEZNQCLSA-N 266.429 3.666 30 20 CHED CCc1ccnc(C/N=C(/O)NC(C)(C)CC(C)(C)C)c1 331228860 CFMZJVNWDCCXNH-UHFFFAOYSA-N 291.439 3.862 30 20 CHED CN(CCn1ccc2cc(Cl)ccc21)CC(C)(C)C#N 433295728 QEBWXLVMYZCKPP-UHFFFAOYSA-N 289.810 3.776 30 20 CHED C=CCC[C@@H](NC[C@@H](c1ccsc1)N(C)C)C1CC1 439089486 VFHCDSRXRKPRJV-CVEARBPZSA-N 278.465 3.685 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(O)cc1OCCC 430369601 PDZFDSURFZQHGI-UHFFFAOYSA-N 289.375 3.888 30 20 CHED CCCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 430753342 JWHGSEHNGMQDKV-AWEZNQCLSA-N 272.392 3.820 30 20 CHED C/N=C(/O)c1cccc(NC(=O)[C@H](C)C(C)(C)C)c1C 330791207 BEYSYGHORKMPNC-NSHDSACASA-N 276.380 3.550 30 20 CHED N#Cc1cscc1C(=O)N1CCC[C@@]2(CC=CCC2)C1 336040157 ABFCMLXMBLICOI-INIZCTEOSA-N 286.400 3.582 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 336157370 AXXWYQCQGQWTMO-UGSOOPFHSA-N 277.371 3.681 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(F)c1)c1cccs1 336457263 PICUQFSYLPCTKD-SECBINFHSA-N 274.320 3.501 30 20 CHED CC(C)(CCC#N)CN1CCO[C@@H](c2ccccc2F)C1 92975464 RSFSSJQAEOJVEA-MRXNPFEDSA-N 290.382 3.529 30 20 CHED CC(C)c1cccc(N/C(O)=N/C[C@@]2(C)CCOC2)c1 330752657 CNMOPWJJQCTVBQ-MRXNPFEDSA-N 276.380 3.563 30 20 CHED Cn1c(-c2ccc(C#N)cc2)nc2ccc(Cl)cc21 432501872 NPYXUXBPVVXPSX-UHFFFAOYSA-N 267.719 3.765 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Nc2ccccc2)C1 246436389 UDGGDDWDSHPPSI-DNVCBOLYSA-N 291.398 3.806 30 20 CHED Cc1nsc(N[C@@H]2CCCc3ccc(F)cc32)c1C#N 343074445 WOZMVFQLOKXWBI-CQSZACIVSA-N 287.363 3.952 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(C)n1 347357432 GKVXIXSYWNEHTD-UHFFFAOYSA-N 279.387 3.674 30 20 CHED C=CC[C@H](C(=O)N1C[C@@H]2CCC[C@H]2C1)c1ccccc1 249280452 OYWOVHJDYVPNPM-ULQDDVLXSA-N 269.388 3.605 30 20 CHED CSc1ccsc1C(=O)N1CCC(CCC#N)CC1 521439390 GTDVDMLZPQKIEE-UHFFFAOYSA-N 294.445 3.626 30 20 CHED CCc1nc(CSCCCCC(C)(C)C#N)no1 435884733 WIFQRHCWDCUITJ-UHFFFAOYSA-N 267.398 3.585 30 20 CHED CC[C@H](C)Cc1noc(C[C@H](CC#N)c2ccccc2)n1 601399967 VHOBTKKUYSPTMM-ZFWWWQNUSA-N 283.375 3.898 30 20 CHED C=C1CCN(Cc2csc(CCCC)n2)CC1 342008104 QFSLTNFPPAEPCH-UHFFFAOYSA-N 250.411 3.638 30 20 CHED Cn1c(SCCCCC(C)(C)C#N)nnc1C(F)F 436200284 VDSXVSJWQXWWQE-UHFFFAOYSA-N 288.367 3.565 30 20 CHED C[C@@H](CCC#N)CN1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 602653196 BVCLREHTAHEOQU-DFGXFYAUSA-N 290.451 3.596 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H](C)S1 162911623 LAPBTZCORBAHMR-GHMZBOCLSA-N 280.824 3.537 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(F)c(C#N)c1 431037851 MCQMSRZXBQJQBC-GFCCVEGCSA-N 294.329 3.679 30 20 CHED N#CCc1ccc(NC(=O)/C=C\C2CCCCC2)cc1 255355206 ZOCCECJOVCROCS-FLIBITNWSA-N 268.360 3.828 30 20 CHED COCCCCCON=C1CCCc2cc(OC)ccc21 254941821 CSHKZSHNLILKIZ-UHFFFAOYSA-N 291.391 3.569 30 20 CHED C/C(=C/C(=O)N(CC#N)c1ccccc1)c1ccccc1 254994686 PWWZFVJUCMVLCC-PFONDFGASA-N 276.339 3.647 30 20 CHED C[C@H](CCC#N)CN1CCCN(Cc2ccccc2)C[C@H]1C 602470854 IYAJFRGSKMMPKD-QZTJIDSGSA-N 299.462 3.523 30 20 CHED Cc1nc(C)c(C#N)c(SC[C@H](C)CC(C)C)n1 347747529 XEUWJFGWKPOHGC-SNVBAGLBSA-N 263.410 3.739 30 20 CHED CC#CCCCC(=O)Nc1c(C)cc(OC)c(C)c1C 345895337 CKRXEGDVYJRHMI-UHFFFAOYSA-N 273.376 3.753 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 448685411 XRXUWDIBIBXNAF-IKGGRYGDSA-N 269.388 3.637 30 20 CHED C=CCCOCC(=O)Nc1ccc2ccn(CCC)c2c1 608402552 TVBLXBFJENGUHI-UHFFFAOYSA-N 286.375 3.583 30 20 CHED CC(C)[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)c2ccccc21 600764041 WAHVGCVSERBMEZ-WBAXXEDZSA-N 281.403 3.904 30 20 CHED COc1cccc(C=Nc2ccc(SC)cc2)c1O 254834750 JMBMHFGJHOHMAJ-UHFFFAOYSA-N 273.357 3.873 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc2ccsc2s1 528603353 BJHWUJRBKYRQQN-UHFFFAOYSA-N 279.390 3.626 30 20 CHED C=CCC1(C(=O)Nc2ccc3c[nH]nc3c2)CCCC1 449266559 WLZPJMGSWYWUDG-UHFFFAOYSA-N 269.348 3.638 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(C(=O)OC)cc2)o1 255001105 ARYCVGNSTDXIKL-POHAHGRESA-N 284.311 3.525 30 20 CHED CCC[C@@H](C(=O)N(C)[C@@H](C)C#N)c1cccc(Cl)c1 602339111 HUKFRWQQJQTPLA-SMDDNHRTSA-N 278.783 3.594 30 20 CHED N#Cc1nc(N2CCCC3(CCCC3)C2)ccc1Cl 445670388 QCOXPDQZXUGZPH-UHFFFAOYSA-N 275.783 3.767 30 20 CHED C=CCCCCCN(C)Cc1cnc(C(C)C)nc1 440484018 TWRJSQLAAFHZCR-UHFFFAOYSA-N 261.413 3.778 30 20 CHED N#CC1(F)CCN(Cc2csc3ccccc23)CC1 352458193 HDQZWZFGRUZRML-UHFFFAOYSA-N 274.364 3.729 30 20 CHED CN(CCC#N)C(=O)c1ccc2c(c1)oc1ccccc12 350101603 XZXRTROPRFQCFX-UHFFFAOYSA-N 278.311 3.572 30 20 CHED N#CCN(Cc1ccc(-c2c(F)cccc2F)o1)C1CC1 352730179 BJRQKNXCCVZGHI-UHFFFAOYSA-N 288.297 3.713 30 20 CHED CC(C)(C)c1ccc(C(=O)N(CCC#N)CC2CC2)cc1 264015735 DDZDNDKXSTWOFN-UHFFFAOYSA-N 284.403 3.750 30 20 CHED CCC(CC)N(C(=O)Nc1ccc(C#N)cc1)C1CC1 609158191 OIXDRSWVHSLGJP-UHFFFAOYSA-N 271.364 3.743 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCC(=O)[C@H](C)C2)CCCC1(C)C 443869584 PIEOQUUXWVJYCN-YCPHGPKFSA-N 291.435 3.585 30 20 CHED C=CCCCc1nc([C@@H]2CSc3ccccc3O2)no1 446010946 JNRRPORGAHIRQJ-LBPRGKRZSA-N 288.372 3.804 30 20 CHED CC[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccccc1 359759613 VKIRGMXBTZWEFL-OAHLLOKOSA-N 272.392 3.626 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCO[C@H](CC(C)C)C1 539666097 JERUKRYTVVLCMZ-HRCADAONSA-N 296.455 3.624 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H](C)C3(CCC3)C2)n1 356787625 CPJBZCPLPMGBAD-ZDUSSCGKSA-N 269.392 3.587 30 20 CHED N#CCCN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 440313992 HZBGVKNGUIKWSJ-LBPRGKRZSA-N 299.201 3.750 30 20 CHED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1OC(F)F 442868148 MZWKHVIDLQXUDT-QWRGUYRKSA-N 266.291 3.701 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 263754926 CBMNNJNMQPSMEI-CQSZACIVSA-N 277.795 3.840 30 20 CHED C=CCC[C@@H](NCc1ccnc(SC)c1)C1CC1 357873425 RHQQFLPVFATZDD-CQSZACIVSA-N 262.422 3.638 30 20 CHED CC[C@H](C)CN(CC)C(=O)C[C@@H](CC#N)c1ccccc1 356276684 ZGLLXNHPWJUREQ-DOTOQJQBSA-N 286.419 3.969 30 20 CHED C=C(CC)CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 536933632 HARWOQXQTFXVKT-HNNXBMFYSA-N 297.345 3.628 30 20 CHED C[C@@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)CC(C)(C)C 613365893 PYDBCDXMYVDUFT-BLLLJJGKSA-N 266.429 3.893 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 610138494 JYRYSDMMURHNJW-CPUCHLNUSA-N 299.418 3.887 30 20 CHED C=CCC[C@H](NC[C@@H]1CC[C@H](C)O1)c1ccccc1 355260491 ORIIERKJPWKRPO-XIRDDKMYSA-N 259.393 3.851 30 20 CHED C=CC[C@H]1N(Cc2cnn(C=C)c2)CCCC1(C)C 446832440 OTENFCNQRJJLNX-OAHLLOKOSA-N 259.397 3.550 30 20 CHED C=CCCC1(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 359258854 HRXOPZAYVQBXEO-UHFFFAOYSA-N 290.310 3.847 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1cccs1 539387841 MUQMEANCDKOIOG-LBPRGKRZSA-N 266.410 3.634 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] 267919415 INFOJFSGGRQPNB-ZDUSSCGKSA-N 299.355 3.869 30 20 CHED C=CCN(C(=O)CO[C@@H]1CCC[C@@H](C)C1)c1ccccc1 261426594 BPCDPURQVAYVJP-NVXWUHKLSA-N 287.403 3.801 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(c2ccncc2)CCCC1 443057212 JBHRVZYGWBRILX-QGZVFWFLSA-N 286.419 3.612 30 20 CHED CCCOc1cc(CN(CCC#N)C(C)C)ccc1OC 534341784 PGQNEEFXIQDKED-UHFFFAOYSA-N 290.407 3.608 30 20 CHED Cc1cccc2c(N3C[C@@H]4CCC[C@H]4C3)c(C#N)cnc12 610685398 GFBKJANYSXOBSQ-KBPBESRZSA-N 277.371 3.651 30 20 CHED C[C@@H](C#N)CN(C)c1cnc2cc(Cl)c(Cl)cc2n1 611745735 ONPVICALGSXWAX-QMMMGPOBSA-N 295.173 3.532 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(C#N)cc1 613292928 NJIIRXPCFWUREQ-UHFFFAOYSA-N 292.382 3.919 30 20 CHED Cc1ccc2c(C(=O)N[C@@H](C#N)CC(C)C)csc2c1 619519638 PLEXNVJJEVONJH-GFCCVEGCSA-N 286.400 3.878 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@H](c2ccc(F)cc2)C1 455375026 YUDAIEMEDRQEKM-AWEZNQCLSA-N 290.382 3.537 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 452525786 JJZCUHXWJVFXNI-JKSUJKDBSA-N 296.414 3.532 30 20 CHED C=CCSc1ccccc1C(=O)NCc1cccc(O)c1 362845010 XCNQBXKVRFEAKP-UHFFFAOYSA-N 299.395 3.600 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](CC)CC(F)(F)F 450426591 QIXINJIMLITVFZ-WDEREUQCSA-N 265.319 3.826 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccnc2ccccc12 618742743 QYEGQWAHZMXPBG-HXUWFJFHSA-N 299.377 3.884 30 20 CHED CCC1(NC(=O)Nc2cc(C#N)ccc2C)CCCC1 454646250 QHATUTSPJKNRCP-UHFFFAOYSA-N 271.364 3.711 30 20 CHED Cc1cc(F)cc2c(N[C@H]3CCO[C@H](C)C3)c(C#N)cnc12 271409240 PCHAYGSMTMADAU-RISCZKNCSA-N 299.349 3.533 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1ccc(CC#N)cc1 270184543 ASDANRCHNMWJAT-UHFFFAOYSA-N 290.366 3.654 30 20 CHED CC(C)CC[C@@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 548607157 QYKCRSUMPWASRZ-LLVKDONJSA-N 278.783 3.766 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)cc(F)c2OC)CC1 361804560 NWBRQWFAISMQBJ-UHFFFAOYSA-N 281.302 3.658 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 362803437 ZLNNNRGKCOLUTQ-OKILXGFUSA-N 287.428 3.693 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H](C)Sc2sccc21 453354305 KUUBJBHEINJCPB-SQNXGDPESA-N 281.446 3.607 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 455307792 IZBOTEWAWSVBIE-NVXWUHKLSA-N 286.419 3.615 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(F)c1SC 622904981 OKJWEMMJDMIRDA-UHFFFAOYSA-N 253.342 3.698 30 20 CHED C=C(CC)CSCCC(=O)Nc1cccc(F)c1 540193613 MOSOFKCWPVJLDA-UHFFFAOYSA-N 267.369 3.854 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1CCCCC1(F)F 620856378 VVESPVYKLFCDMH-LLVKDONJSA-N 259.340 3.673 30 20 CHED CC(C)[C@@H]1N(C(=O)c2ccc(C#N)cc2)CC12CCCCC2 458170609 FXNOSEAMIOTFEL-KRWDZBQOSA-N 296.414 3.989 30 20 CHED C=CCCCSCCc1ccc([N+](=O)[O-])cc1 540864510 JQJFFIWXSWBSQU-UHFFFAOYSA-N 251.351 3.837 30 20 CHED C=CCC1(C(=O)N(C)C[C@H]2CCCC[C@H]2O)CCCCC1 450467608 JHQOBOOQADSVHD-HZPDHXFCSA-N 293.451 3.523 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2cc(C#N)ccc2[N+](=O)[O-])o1 546636265 LWRPRYBTLFXGPF-ZWNOBZJWSA-N 297.314 3.795 30 20 CHED C=CCOc1ccc(CN(C[C@@H](C)OC)C(C)(C)C)cc1 541072547 MSNLTUQCKCPJOE-OAHLLOKOSA-N 291.435 3.887 30 20 CHED C=C(C)CCSc1nnc(-c2ccncc2)n1CCC 274715184 FTCJVCQVTUHTPM-UHFFFAOYSA-N 288.420 3.808 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1ccncn1)c1ccccc1 453184071 ZHVDXLOLHZTODQ-WMLDXEAASA-N 267.376 3.835 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnc2c(c1)CCCC2 542969111 JKNWVKHBSGGODY-UHFFFAOYSA-N 270.376 3.667 30 20 CHED CC[C@H](CNc1nccc(C)c1C#N)Oc1cccc(F)c1 543205796 IMQNYZNLRBEZGB-CQSZACIVSA-N 299.349 3.670 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H]2Cc2ccccc2)c(F)c1 462886773 HBUVADQIYCGDLG-PBHICJAKSA-N 266.319 3.740 30 20 CHED C=CCCC(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 373454590 BODGDVQPMJZRIL-GOSISDBHSA-N 280.371 3.562 30 20 CHED C=CCNC(=O)Nc1ccccc1COC(C)(C)CC 544625919 PUUWFEAKWUQZGF-UHFFFAOYSA-N 276.380 3.699 30 20 CHED C=CCN(C(=O)Nc1cccc(-c2nc(C)co2)c1)C1CC1 371449206 UYCURRABIMYXBA-UHFFFAOYSA-N 297.358 3.832 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(-c2cnco2)cc1 620861789 ZTSNRIVXOJKXDS-UHFFFAOYSA-N 284.359 3.816 30 20 CHED CCCCCCCN1CCC(C#N)(c2ccccn2)CC1 376738468 UICMWDNJAFLBKZ-UHFFFAOYSA-N 285.435 3.909 30 20 CHED CC(C)(C#N)CCN1CC[C@H](Cc2ccc(F)cc2)C1 540687255 HDEOMOYDAXUSOU-OAHLLOKOSA-N 274.383 3.630 30 20 CHED C#CCCCCC(=O)N1Cc2ccccc2C2(CCC2)C1 375986824 UOJZWPGKFWWPBM-UHFFFAOYSA-N 281.399 3.644 30 20 CHED C=C(C)C[C@H](C)C(=O)NCc1ccc(-c2ccncc2)cc1 373349445 UPTIHAQSWOTKTF-HNNXBMFYSA-N 294.398 3.967 30 20 CHED CCCN(C(=O)c1cc(C#N)ccc1Cl)C(C)(C)C 289720716 JNTQXDSFTQUPCQ-UHFFFAOYSA-N 278.783 3.862 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C2 463293273 GSBDCLPTVHXNCQ-YCCFLXJFSA-N 260.425 3.873 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1SCCc2ccccc21 620859258 ZNJVFKLGUNTEIY-HNNXBMFYSA-N 289.444 3.878 30 20 CHED CCN(CCOC)Cc1ccc(-c2ccccc2C#N)cc1 552033792 SLPIZOWMMSAPOQ-UHFFFAOYSA-N 294.398 3.694 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC(c2ccccc2)CC1 558964049 FOJYZKSPFDWZTE-UHFFFAOYSA-N 296.418 3.547 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCCn2c(cc3ccccc32)C1 288831751 KYGLKVGXSSJQEY-CQSZACIVSA-N 297.402 3.521 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(CCOC)CCCCC1 467906884 XAFFCKDXMVGHPY-MRXNPFEDSA-N 281.440 3.692 30 20 CHED Cc1ccnc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 286267598 VGEJRCPXJWVKED-ZIAGYGMSSA-N 265.360 3.674 30 20 CHED CC#CCn1ccc(-c2cc(Cl)ccc2Cl)n1 464093608 IETYETRRVCRKAF-UHFFFAOYSA-N 265.143 3.880 30 20 CHED COC1(c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)CCC1 289922455 XRNVDWKAKFILPM-UHFFFAOYSA-N 297.358 3.563 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](c2ccccc2F)C1 281388710 OXWUVJVJNSTOSY-KGLIPLIRSA-N 290.382 3.679 30 20 CHED N#Cc1cc(CN2CC[C@@H](Cc3ccccc3)C2)ccc1F 468272689 NZMRSGQRGNVOST-KRWDZBQOSA-N 294.373 3.762 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C 467090202 JNIMYHHUCSRQSD-CJNGLKHVSA-N 272.392 3.528 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H]1CC 460388770 RFBSRZUGBIPHLN-UONOGXRCSA-N 276.428 3.747 30 20 CHED COc1cccc2c1C/C(=C\c1cn(C(C)C)nc1C)C2=O 280993517 MVVXFAGUXGSZCO-MDWZMJQESA-N 296.370 3.603 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](CO)CC1CCCC1 467451174 ZGMSQJPVQKQWGX-JKSUJKDBSA-N 253.430 3.510 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@@H](C)c1cc(C)ccc1C 464753864 IYSNLIQKLZCTMR-KGLIPLIRSA-N 260.381 3.580 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2c3c(cccc13)CC2 285140195 PEFRIAFMVUKWNW-GOSISDBHSA-N 278.355 3.817 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCCC1(C)C 460795606 SVNKMDYURHFZJW-UHFFFAOYSA-N 296.418 3.900 30 20 CHED C=CCC(CC=C)C(=O)NCCSc1ccccc1 467731114 JCUHEJQRJWYVQD-UHFFFAOYSA-N 275.417 3.663 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC2(CCSCC2)CC1 633940619 UVHBODVARBZXQH-OAHLLOKOSA-N 281.465 3.725 30 20 CHED N#CCOc1ccc(CN[C@@H]2CCC[C@@H]2CCCF)cc1 282855936 XVGRYTYSUILWJT-NVXWUHKLSA-N 290.382 3.597 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 471713557 NHKZIVSBGTVIAL-NEPJUHHUSA-N 279.330 3.541 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC[C@@H]1CF)c1ccccc1 296633034 ZAUCBIMHWRHKJV-HZPDHXFCSA-N 290.382 3.837 30 20 CHED CC(C)(CC(=O)N[C@](C)(C#N)CCc1ccccc1)C1CC1 293621985 HVMGJEURELLXDU-IBGZPJMESA-N 298.430 3.844 30 20 CHED C#CCOc1ccccc1-c1noc([C@H]2C[C@@]2(C)C(C)C)n1 809395623 OHNZGMOJYFKHCK-KDOFPFPSSA-N 296.370 3.898 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2ccccc2[C@@H]1C 297737937 ODCHJOVATOZYFL-ZDUSSCGKSA-N 257.377 3.735 30 20 CHED N#CCSCCCOC(=O)c1csc2ccccc12 805384502 GLZZIJUBIYJFHS-UHFFFAOYSA-N 291.397 3.705 30 20 CHED Cc1oc2ccc(NC(=O)NCC3(C#N)CCC3)cc2c1C 562790006 JPLZOKBGUSHPRY-UHFFFAOYSA-N 297.358 3.865 30 20 CHED COc1ccc(CCC(C)=NOCC=C(C)C)cc1 808255567 RKLZKTIGZAZZKB-UHFFFAOYSA-N 261.365 3.987 30 20 CHED C#CC[C@@H](NC(=O)c1oc(C(C)C)nc1C)c1ccccc1 293589875 XCRFLUDUBRTJLQ-OAHLLOKOSA-N 296.370 3.601 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1cccc(Cl)c1)C(C)(C)C 807881912 SPZMQYFGCWXHPV-BXUZGUMPSA-N 277.795 3.608 30 20 CHED O=C(/C=C/c1cnccn1)c1cc(Cl)sc1Cl 809155535 ZNJGYEANDZPTQB-OWOJBTEDSA-N 285.155 3.741 30 20 CHED CC1(CC(=O)N[C@H](C#N)c2ccccc2Cl)CCCC1 564753897 OUYZYVOUJWZBTE-CQSZACIVSA-N 290.794 3.991 30 20 CHED CCn1cc(N(CCCC(C)(C)C#N)CC(C)C)cn1 564666591 NRCWLYWKDKGRQM-UHFFFAOYSA-N 276.428 3.695 30 20 CHED C=CCOCCCOc1cc(C)nc2ccccc12 478818718 AXBZCQCOPPHAAP-UHFFFAOYSA-N 257.333 3.515 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 561568871 LBYMZRJQQSGOLS-DZOHQFGASA-N 298.430 3.929 30 20 CHED CCCCCCCCCNC(=O)c1cccnc1F 806392153 JPBCCYHBZZFJTH-UHFFFAOYSA-N 266.360 3.701 30 20 CHED COc1ccc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1C#N 393537313 AZTIBFSVSHUDAT-CVEARBPZSA-N 284.403 3.577 30 20 CHED Cl/C=C/CON=Cc1c[nH]nc1-c1cccc(Cl)c1 811668766 JPUXIFZRUADBPM-XRNUNKFASA-N 296.157 3.833 30 20 CHED C=CCCCC[C@@H](C)NC1CCC(N(C)C)CC1 566388871 UFJPYFFVKOUXTE-QQFBHYJXSA-N 252.446 3.584 30 20 CHED C=CCN(C(=O)/C=C/c1cccc(O)c1)c1ccccc1 819984878 BIBMXZIUGQHBSM-VAWYXSNFSA-N 279.339 3.625 30 20 CHED C=CCOCCCC(=O)N(c1ccc(CC)cc1)C(C)C 813260466 DCILSRRQPAJHHF-UHFFFAOYSA-N 289.419 3.973 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3ncccc3C#N)C2)cc1 486480012 PACQJVKFXPRICM-WMLDXEAASA-N 277.371 3.644 30 20 CHED C#C[C@H](NC(=O)c1cscc1C)c1ccc(Cl)cc1 811949036 NGJISRGQOIEJHI-AWEZNQCLSA-N 289.787 3.814 30 20 CHED C#C[C@H](NCc1n[nH]c2ccccc12)c1ccc(Cl)cc1 811517388 QXRYNZLCFWDLCA-HNNXBMFYSA-N 295.773 3.680 30 20 CHED C=CCC(F)(F)C(=O)NC[C@H](Cc1ccccc1)C(C)C 816408495 LGQBISASPZNNHU-HNNXBMFYSA-N 295.373 3.829 30 20 CHED CC(=NNc1cccc(Cl)c1F)C1CCN(C)CC1 814818637 BVNLWROHDGUQRJ-UHFFFAOYSA-N 283.778 3.609 30 20 CHED N#CC1(CN[C@@H](Cc2ccccc2)c2ccccc2)CC1 487947471 MMLLOSLHNIGQFT-SFHVURJKSA-N 276.383 3.864 30 20 CHED CC(=NNc1cc(C)ccc1F)c1csc(C(=O)O)c1 814872486 OGYBDTXMYYWXGG-UHFFFAOYSA-N 292.335 3.730 30 20 CHED C[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1C#N 481027397 VDNUAYWGIOQSJK-IAQYHMDHSA-N 262.784 3.880 30 20 CHED CCCCCCCN1CCc2ccc(C(=O)O)cc2C1 135411140 AAVYXFQJANMFTJ-UHFFFAOYSA-N 275.392 3.713 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](CC(C)C)c1ccccc1C 812040861 JYQWYUBVNGCZDL-DOTOQJQBSA-N 286.419 3.745 30 20 CHED C=CCC1(NC(=O)CCCc2ccccn2)CCCCC1 654021079 HJOHCDDSNUJDER-UHFFFAOYSA-N 286.419 3.800 30 20 CHED CC#CCCNC(=O)c1sc(-c2ccccc2C)nc1C 481684345 HGCTVJQZNMNBNC-UHFFFAOYSA-N 298.411 3.570 30 20 CHED CC(CCc1ccc(F)cc1F)=NOCCOC(C)C 812239127 NMDZJRDYHFGLBI-UHFFFAOYSA-N 285.334 3.715 30 20 CHED C#CCN(Cc1ccccc1)[C@H](C)Cc1ccccc1OC 725806697 MLYNACJNCFCMPB-QGZVFWFLSA-N 293.410 3.762 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1c1cccc(C)c1C 483425779 KCAGDKYONFMKHL-QGZVFWFLSA-N 284.403 3.563 30 20 CHED C=CCSCCNC(=O)c1cc2cc(C)ccc2s1 577309067 PMFQSEZHHWUBEO-UHFFFAOYSA-N 291.441 3.859 30 20 CHED C=CCCCNC(=O)Nc1ccc(-c2ccccn2)cc1 571249196 FQBQFLCOVFXRCN-UHFFFAOYSA-N 281.359 3.836 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1cc(OC)ccc1O 728977586 ASJKYGCMKOMEAM-ZDUSSCGKSA-N 293.407 3.939 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 823284535 QDTLKQDPULCCPW-KGLIPLIRSA-N 270.376 3.680 30 20 CHED C#C[C@H](N[C@@H]1C[C@H](C)O[C@H](C)C1)c1ccc(Cl)cc1F 491325603 FAXSOCJAGPGJHB-IQDSPRDJSA-N 295.785 3.699 30 20 CHED N#CCOc1ccc(CN2CCC[C@H]2c2ccsc2)cc1 729267411 VHENOYOZOACVDN-KRWDZBQOSA-N 298.411 3.988 30 20 CHED C#Cc1cnc(N[C@@H](C)c2cccc(C3CC3)c2)nc1 828281043 NJHGNHPVXHKXLP-LBPRGKRZSA-N 263.344 3.508 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2cn(C(C)C)nc2c1 825987203 HDCFXKKOSGHRTQ-UHFFFAOYSA-N 293.317 3.767 30 20 CHED C=CCCc1ccccc1NC(=O)N1CC[C@H]2C[C@H]2C1 667029282 WPNZUDNJGHAMRF-GJZGRUSLSA-N 270.376 3.679 30 20 CHED O=C1/C(=C/c2cccc(F)c2)CCOc2ccccc21 728441531 LJIFHZCTKDVBOF-JLHYYAGUSA-N 268.287 3.875 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](CC)c1ccc(Cl)s1 491804386 LPZZPQJVSBVMES-ZJUUUORDSA-N 284.812 3.516 30 20 CHED Cc1cscc1-c1noc(CCCCCC#N)n1 589149356 OWRYSNWCJYLLSW-UHFFFAOYSA-N 261.350 3.733 30 20 CHED Oc1ccc(Br)cc1/C=N\[C@H]1CC=CCC1 735978709 JUVAYBGCNZCJKZ-ZENNRRHLSA-N 280.165 3.682 30 20 CHED N#CCCCOc1cccc(CN2CCC[C@H](C3CC3)C2)c1 589209618 ONSAWIAIBRRMRU-SFHVURJKSA-N 298.430 3.991 30 20 CHED C=CCCCCOc1cccc(C(=O)N2CCCC2)c1 664154387 GLYHDBXGENWOGY-UHFFFAOYSA-N 273.376 3.658 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc(C#N)cc1 588488997 DYQGFWCTDBCPHS-SREVYHEPSA-N 269.325 3.524 30 20 CHED N#CCC[C@@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 492185575 VKXMYQMHPZXXNE-ROJDOSBLSA-N 296.395 3.923 30 20 CHED C=CCN(C(=O)C[C@H]1CCc2ccccc2C1)C(C)C 732535285 CQPGCOCHNGFRBK-HNNXBMFYSA-N 271.404 3.605 30 20 CHED N#CCc1cc(-c2ccc(O[C@@H]3CCOC3)cc2)cs1 904755088 SCOOMKRXHQDPFW-OAHLLOKOSA-N 285.368 3.649 30 20 CHED Cc1cc2c(cc1C)[C@H](NCC1(C#N)CC1)CCS2 903105623 GGSQZKUCSHSUSG-CQSZACIVSA-N 272.417 3.734 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 835211276 HDHHHWYDVOEUBT-GARJFASQSA-N 298.169 3.942 30 20 CHED C=CC[C@H]1N(Cc2cc(C)c(C(=O)O)o2)CCCC1(C)C 902544416 AYBLOEOOZCUWCH-CQSZACIVSA-N 291.391 3.853 30 20 CHED CCCCCCCCC(=O)N(C)c1ccc(F)cn1 839416169 GDBSUWVORLDHDO-UHFFFAOYSA-N 266.360 3.934 30 20 CHED C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1 903337506 DIKYDOKQSJXOOH-SCLBCKFNSA-N 277.371 3.755 30 20 CHED Cc1ccc([C@H]2[C@H](C)CCCN2c2ccnc(C#N)n2)cc1 582676204 DXTRETHUUSSUMN-RDTXWAMCSA-N 292.386 3.634 30 20 CHED CC#CCN(C)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 583046383 OUADQDLITUSLTQ-OAHLLOKOSA-N 271.404 3.785 30 20 CHED Clc1cccc(CNN=C2CCOC3(CCC3)C2)c1 834961939 SMHLCXHVOAZFEX-UHFFFAOYSA-N 278.783 3.519 30 20 CHED CC(C)CCCCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 838783879 KTEHJKZNGCLEKS-CYBMUJFWSA-N 283.375 3.956 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 594091180 ZHRVXIJGGVXOEB-OLMNPRSZSA-N 292.382 3.704 30 20 CHED Cc1ccccc1C/N=C/c1cc2ccccc2nc1O 912779142 PKUFKTDEUIEVHM-XDHOZWIPSA-N 276.339 3.868 30 20 CHED CC[C@H](CC#N)OC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 835340271 MBPLEZKOBKXSTJ-BZUAXINKSA-N 271.360 3.806 30 20 CHED Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)O[C@@H](C)C#N 741747498 JAYFIJQEYJZQRF-AAEUAGOBSA-N 274.364 3.520 30 20 CHED Fc1ccc(/C=C/C=NNc2cnc3ccccc3n2)cc1 747751206 IYOYUEUCHSNHIC-DEUPBQQDSA-N 292.317 3.880 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2C[C@@]2(C)c2ccccc2)c1 741465313 UHLITIBNAGZTCC-NNKNOWGASA-N 281.355 3.550 30 20 CHED CCc1oc2ccccc2c1CC(=O)N[C@@](C)(C#N)C(C)C 599245738 UWUHJUVIYFYSKM-SFHVURJKSA-N 298.386 3.592 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc3ccccc3n2)c1 741451688 MTDKQNRCFYORSA-UHFFFAOYSA-N 292.298 3.589 30 20 CHED CC(=NOCC(C)C)c1[nH]c(-c2ccccc2)nc1C 749636757 PYDSVVSFGCDYLV-UHFFFAOYSA-N 271.364 3.782 30 20 CHED N#CC1(CCOC(=O)[C@H]2Cc3ccccc32)CCCCC1 840235923 YSFJPONMESANLM-INIZCTEOSA-N 283.371 3.734 30 20 CHED C#C[C@@H](OC(=O)c1sc(CC)nc1C)c1ccccc1 842389537 ITZJWOWGYCKXKV-CYBMUJFWSA-N 285.368 3.545 30 20 CHED Cc1cc(-c2ccc(CN(C)C)cc2)ccc1CC#N 846781031 YQMPUJQSWFGMCW-UHFFFAOYSA-N 264.372 3.790 30 20 CHED CC1(C)CCCC1=NNc1cnc2ccccc2n1 749855796 UXUCSVYXEDHNMG-UHFFFAOYSA-N 254.337 3.608 30 20 CHED Cc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1C 915933029 IYYOLYWWSRTMBT-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C[C@H](C=NNc1ncccc1Cl)c1ccccc1 917549139 JEKIXVXABCNAKE-LLVKDONJSA-N 259.740 3.936 30 20 CHED C=CCCCCSCC(=O)Nc1cccc(C#N)c1 591400963 APGSRMNBKURZHW-UHFFFAOYSA-N 274.389 3.586 30 20 CHED CC/C(C)=C(/C)C(=O)N(CC#N)c1ccc(Cl)cc1 843610181 DOBVZXIMKFMCRI-QXMHVHEDSA-N 276.767 3.943 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1ccccc1Cl 916288244 QJNDCPUSEXAMKB-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CCC(=O)Nc1ccc(C)c(N=Cc2ccccc2O)c1 915978481 GFRDFBZFOGCDOF-UHFFFAOYSA-N 282.343 3.800 30 20 CHED Cc1cccc2ncc(/C=C3\Cc4c(F)cccc4C3=O)n12 748997180 HIEWCZDWZVKEGY-XYOKQWHBSA-N 292.313 3.604 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C2CCSCC2)n1 747193649 LLOGDRCBMUIALI-LLVKDONJSA-N 294.445 3.586 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)C1(C)C 596218660 KUDOHDZDIREKRN-ZJUUUORDSA-N 299.827 3.672 30 20 CHED C=CCNC(=S)N1CCC[C@H]1[C@@H](CC)c1ccccc1 746685757 TWJHXWAHAMAZBR-HOTGVXAUSA-N 288.460 3.705 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)[C@H]1c1ccncc1 596589795 AWOKIMCULOUZBS-KRWDZBQOSA-N 295.361 3.675 30 20 CHED CC(C)Cc1noc([C@@H](C#N)CCc2ccccc2)n1 841734330 JYZPUGUFLCREGM-CQSZACIVSA-N 269.348 3.508 30 20 CHED C=CCCOCc1nc(-c2ccc(C(C)(F)F)cc2)no1 685693591 SCKNKQRXDYXKQE-UHFFFAOYSA-N 294.301 3.941 30 20 CHED COc1ccc(C)cc1C=NNc1cccc(C)c1 744556041 IIFQCPIIDMTTLQ-UHFFFAOYSA-N 254.333 3.758 30 20 CHED CCCC(=NOCCOC)c1cccc(C(F)(F)F)c1 748792288 XGUAXFYLGLYPFE-UHFFFAOYSA-N 289.297 3.873 30 20 CHED CCOc1ccc(NCC(C)(C)CCC#N)c(F)c1 840976579 OFRLQENVXPVWCU-UHFFFAOYSA-N 264.344 3.966 30 20 CHED CC(C)CCC(=NN(C)[C@@H](C)CO)c1ccc(Cl)cc1 842544777 WQMPDENVBCVQIB-ZDUSSCGKSA-N 296.842 3.793 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(C)=C(C)C 840538242 OCBPSEXXWNISEU-MRXNPFEDSA-N 257.377 3.646 30 20 CHED CC(C)(CC#N)COC(=O)C1(C(F)(F)F)CCCCC1 850950221 DVNBEPSCZHIGBZ-UHFFFAOYSA-N 291.313 3.982 30 20 CHED C=C[C@@H](CC(=O)OCc1csc(C)n1)c1ccccc1 758918869 BZYBFNKLVJIMME-ZDUSSCGKSA-N 287.384 3.855 30 20 CHED Cn1nc(C(F)(F)F)cc1/C=C1\CCCC(C)(C)C1=O 853007121 PPYYCLSVBZRMMZ-VQHVLOKHSA-N 286.297 3.602 30 20 CHED C=CCC(C)(C)c1noc(-c2nccc3occc23)n1 854062185 UXMHQKCKEWQVSW-UHFFFAOYSA-N 269.304 3.732 30 20 CHED Cc1ccc(NN=Cc2csc(C3CC3)n2)cc1 920356518 MUGMWBBOUNBDGT-UHFFFAOYSA-N 257.362 3.775 30 20 CHED CCc1cccc2c1OCC[C@@H]2N[C@H](C)CC(C)(C)C#N 925361359 OEJHNKYQCOHJTK-CJNGLKHVSA-N 286.419 3.991 30 20 CHED C#CC[C@@H](/N=C/c1c(O)cccc1OC)c1ccccc1 756847703 VEDQKJNONRRALJ-CXDFQFJYSA-N 279.339 3.584 30 20 CHED Cc1cc([C@H]2CCCN2CCCCC2(C#N)CCC2)no1 929187028 ZTZRLBZJAUQTNL-MRXNPFEDSA-N 287.407 3.984 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@@H](CC#N)C1 852344219 OSCLOMRBBPZYGG-INIZCTEOSA-N 291.439 3.848 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1sccc1-c1ccccc1 49425052 KWOVHMFOOACFBO-LBPRGKRZSA-N 284.384 3.647 30 20 CHED CC(C)[C@H](CN[C@@H](C)CC(C)(C)C#N)c1cccnc1 925233767 HWGNZOSWBOKYGK-HOCLYGCPSA-N 273.424 3.739 30 20 CHED Fc1cccc(NN=Cc2coc(-c3ccccc3)n2)c1 755662181 MMIPILPXWXUJEI-UHFFFAOYSA-N 281.290 3.927 30 20 CHED C#CC[C@H](NC(=O)/C=C(/C)CCC)c1ccccc1 757579827 PSFGWPZPMITGED-FIPLFPIMSA-N 255.361 3.614 30 20 CHED Cc1ccccc1C=NOCc1ccc(-n2cccn2)cc1 851982762 MSCCUNUJUUQQLG-UHFFFAOYSA-N 291.354 3.731 30 20 CHED CCCCCCCCNC(=O)c1scnc1Cl 754852039 YEPFNMBBWOQFSD-UHFFFAOYSA-N 274.817 3.887 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C\c1ccc(Cl)nc1 851208093 OAAXKLQHZLYDMS-JPVGGKMYSA-N 292.766 3.620 30 20 CHED Cc1ccccc1C(=NO[C@@H]1CCCCO1)C1CC1 755825218 WAMVDSIDZWNTRF-OAHLLOKOSA-N 259.349 3.652 30 20 CHED CC[C@@H](C)CCN[C@H](C)c1ccc(OCC#N)cc1 696211451 SXVMUKAEAZOTHS-ZIAGYGMSSA-N 260.381 3.676 30 20 CHED CC(C)Nc1ccccc1NCc1ccccc1C#N 864041073 IOHSBLNJJWBEGF-UHFFFAOYSA-N 265.360 3.991 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1N[C@@H](C)COC 935790229 SCQHGGZSUOQPNK-KBPBESRZSA-N 290.407 3.674 30 20 CHED CSc1ccc(/C=C\C(=O)NCC(C)(C)CC#N)s1 861951000 XLGPWIBUJPCTGZ-XQRVVYSFSA-N 294.445 3.539 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(Cl)nc2Cl)c1 761485600 HQMRGGTXQLAHKN-DUXPYHPUSA-N 293.153 3.988 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)C1CCCCC1 768374488 GZFSSSNAKOIANH-UHFFFAOYSA-N 276.771 3.975 30 20 CHED C#CCCCNc1ccc(C(=O)NC2CCCCC2)cc1C 766723960 HWGNLVUNVFRFJH-UHFFFAOYSA-N 298.430 3.883 30 20 CHED C=CCOCSc1ncc(C(C)C)n1C(C)C 865357367 KLDKVWYCHGKTQF-UHFFFAOYSA-N 254.399 3.840 30 20 CHED C=CCNc1nnc(SCCC(F)=C(F)F)s1 863222402 HQQLWXZMTHEMCU-UHFFFAOYSA-N 281.328 3.696 30 20 CHED CC(C)[C@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 768316262 BNNJCZGJBMDQAO-RHSMWYFYSA-N 272.392 3.598 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cnc(C)s1 761254094 OSDSSKMXXMQZET-UHFFFAOYSA-N 288.401 3.897 30 20 CHED C#CCCCCC(=O)N(C)Cc1ccc(F)c(Cl)c1 762369013 PSQARYWFWCIRDN-UHFFFAOYSA-N 281.758 3.631 30 20 CHED CCCCCCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 862358492 KFQKZVJGSRMUOR-UHFFFAOYSA-N 296.342 3.743 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(C(F)F)cc1 860198471 VROPGMHAUMLPES-UHFFFAOYSA-N 281.302 3.997 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(C#N)s2)c(F)c1 762444075 WCMQKXBZXHNCRV-HWKANZROSA-N 282.299 3.527 30 20 CHED C=C(C)COC(=O)c1cc(C)sc1Br 761057739 WOQICQRRTUSSBT-UHFFFAOYSA-N 275.167 3.552 30 20 CHED Cc1ccc(OC[C@@H](C)NCc2ccc(C#N)c(C)c2)cc1 767693806 OUERTPBUQWLVRY-MRXNPFEDSA-N 294.398 3.732 30 20 CHED C[C@H](C=NNc1nccnc1Cl)c1cccc(Cl)c1 763362172 ATWNQYUKKYPTQR-SECBINFHSA-N 295.173 3.985 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1ccncc1 772063063 BIXMEEXNZNAUDV-WMLDXEAASA-N 280.371 3.619 30 20 CHED COc1cccc(OC)c1/C=C1\Cc2c(C)cccc2C1=O 776190415 VXVRNJOJYRYVBU-ACCUITESSA-N 294.350 3.835 30 20 CHED C=CCC[C@H](NCc1ccc(Cl)nn1)c1ccccc1 877116671 SSJFKACIAHUGQX-HNNXBMFYSA-N 287.794 3.927 30 20 CHED CC(=NOC1CCOCC1)c1ccc(-c2ccccc2)o1 774445425 VIPWBYFJIQJBMR-UHFFFAOYSA-N 285.343 3.866 30 20 CHED C=CCN(CCc1ccco1)C[C@@H]1CC1(Cl)Cl 778995519 AZXPCTNGZSTSBZ-NSHDSACASA-N 274.191 3.504 30 20 CHED N#C[C@H](OC(=O)CCC(=O)c1ccccc1)C1CCCCC1 776356132 CGQZTXOEWNCKEX-KRWDZBQOSA-N 299.370 3.665 30 20 CHED CC(C)(C)c1ccccc1C(=O)OCCCCC#N 771432142 PKTYNUVOHYXTSZ-UHFFFAOYSA-N 259.349 3.835 30 20 CHED CCc1ccc(NCCCC(C)(C)C#N)c(C(=O)OC)c1 1116284622 SMXKLULVXVFRBU-UHFFFAOYSA-N 288.391 3.777 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(N2CCCC2)cc1 878036723 QKYVHRMHQUCILI-UHFFFAOYSA-N 272.392 3.828 30 20 CHED CC(Cc1ccccc1C)=NNc1ccc2[nH]ncc2c1 779815917 GOUAYTVGJTZXRP-UHFFFAOYSA-N 278.359 3.902 30 20 CHED CCOCCON=C1CCCSc2ccc(Cl)cc21 774430201 ADVVAKJRASAEFV-UHFFFAOYSA-N 299.823 3.983 30 20 CHED C=CCC[C@H](Nc1ccc2c(c1)N(C)CCO2)C1CC1 777690071 WAHJPKKZEZQLLK-HNNXBMFYSA-N 272.392 3.672 30 20 CHED C#CCCCCCC(=O)Nc1nc(-c2ccc[nH]2)cs1 779756948 VXVAYRNZUQCVLZ-UHFFFAOYSA-N 287.388 3.660 30 20 CHED C=C(C)CCC(=O)Nc1ccc(-c2ocnc2C)cc1 1120781287 XOEDJUPOBKYHQM-UHFFFAOYSA-N 270.332 3.945 30 20 CHED CCOc1ccc(C#N)cc1NCc1cc(C)c(C)cc1O 779586870 CQNRUBHMRJPYTR-UHFFFAOYSA-N 296.370 3.892 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)CCCCCC#N 887958017 WFJKGADATBRPMC-UHFFFAOYSA-N 272.392 3.736 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C)c(OC)c1C 779831541 GAPZJTOCSCPLBN-UHFFFAOYSA-N 273.376 3.834 30 20 CHED CC(C)(C#N)CCOC(=O)c1sccc1C1CC1 776380382 XDWLGGLYNRCHNX-UHFFFAOYSA-N 263.362 3.722 30 20 CHED CC(C)(C)Sc1ccc(NC(=O)NCCC#N)cc1 785762655 XBYZXLQPZGCWCT-UHFFFAOYSA-N 277.393 3.612 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)C1(C#N)CC(C)C1 784200724 IWYBXZGKKVXPTB-RYCVTPFZSA-N 257.333 3.539 30 20 CHED CCN(C(=O)Nc1cc(C#N)ccc1F)C1CCCCC1 888356285 MBVMEPBENBFHSD-UHFFFAOYSA-N 289.354 3.884 30 20 CHED C#CCC1(C(=O)NCC2(C(C)C)CC2)CCCCC1 788224614 CWLLOTKXACEQHN-UHFFFAOYSA-N 261.409 3.513 30 20 CHED O=C1/C(=C/c2ccc(Cl)cc2)Cc2cc(O)ccc21 780187369 DLXUBPLGXHTBQL-KPKJPENVSA-N 270.715 3.868 30 20 CHED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2F)cc1 1125441206 JGTRQQGUDLVCQJ-HUUCEWRRSA-N 296.301 3.647 30 20 CHED C=C(C)COCCN[C@H]1CCCCC12CCCC2 386609036 JVOLNQFSBYVHRT-HNNXBMFYSA-N 251.414 3.672 30 20 CHED CCCC(=NNCCc1ccccn1)C1CCCCC1 789124373 FNWNREGSEGIUDB-UHFFFAOYSA-N 273.424 3.950 30 20 CHED Cc1ccc(N(Cc2ccc(C#N)cn2)C(C)C)cc1 788020302 PNJGZGAAMJUSDJ-UHFFFAOYSA-N 265.360 3.677 30 20 CHED CCC(=NNc1ccc(Cl)cc1Cl)c1cn[nH]c1 788973889 AKVPDQULGQNIAB-UHFFFAOYSA-N 283.162 3.943 30 20 CHED COc1cc(C(C)=NNc2c(C)cc(C)cc2C)ccn1 782239617 PRSCLWCXYRJNRJ-UHFFFAOYSA-N 283.375 3.852 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1cc(OC)c(C#N)cc1F 1131704877 OJSGQHOVNSCVEV-LLVKDONJSA-N 292.354 3.861 30 20 CHED CCC(C[C@@H](C)CC)=NN[C@@H](CO)c1ccccc1 788470406 XGTDSTLVHHVCGX-BBRMVZONSA-N 262.397 3.512 30 20 CHED Cc1ccnc(NN=Cc2ccc3nc(C)ccc3c2)c1 783521050 OAXYRDGNGXHLQQ-UHFFFAOYSA-N 276.343 3.693 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(Cl)ccc1O 782031609 TVJLWALYFQXWMP-UHFFFAOYSA-N 281.739 3.532 30 20 CHED CC[C@H](CC(=O)OCCCC(C)(C)C#N)C(C)C 783503380 NHAUWBBRKFFVAR-CYBMUJFWSA-N 253.386 3.932 30 20 CHED CS[C@H]1CCC[C@H](Nc2cccc(CC#N)c2)C1 894767529 BRFNSPKOVZYNIO-GJZGRUSLSA-N 260.406 3.839 30 20 CHED CC(=NNc1ncncc1F)c1cc2cc(C)c(C)cc2o1 793210221 HMXVPZILVMQMFM-UHFFFAOYSA-N 298.321 3.815 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC=C(c2cccc(C)c2)CC1 791066056 AJDPXYOZPVCMOJ-GOSISDBHSA-N 296.414 3.596 30 20 CHED O=C(/C=C\c1cccs1)c1ccnn1-c1ccccc1 798373160 XEBPLFQDESMQFT-HJWRWDBZSA-N 280.352 3.830 30 20 CHED C=C1CC(c2noc(C(F)(F)c3ccc(OC)cc3)n2)C1 896881704 DZPFRQKGTJWVQQ-UHFFFAOYSA-N 292.285 3.652 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 303781681 CXORQMIKALLUNI-TZMCWYRMSA-N 271.364 3.649 30 20 CHED COCCCON=C1CCCc2c1sc1ccccc21 795042410 SOGALOUEVLULGA-UHFFFAOYSA-N 289.400 3.995 30 20 CHED COc1ccccc1CON=C(C)C1CCSCC1 799118433 GFHOWADZVWJYKQ-UHFFFAOYSA-N 279.405 3.731 30 20 CHED N#CC1(CNCc2ccccc2OCc2ccccc2)CC1 562384630 ZYAKLDKUCLOETA-UHFFFAOYSA-N 292.382 3.659 30 20 CHED CCN(C)c1ccc(C=NNc2cccc(Cl)c2)cn1 790141285 CMECZVQQYMEBSU-UHFFFAOYSA-N 288.782 3.637 30 20 CHED N#CCCN(Cc1ccccn1)Cc1sccc1Cl 194379979 GFIASLNDBRILQL-UHFFFAOYSA-N 291.807 3.712 30 20 CHED CCCN(Cc1ccccc1)C(=O)Cc1ccc(C#N)cc1 194711787 KKPSTTRMKAJSFE-UHFFFAOYSA-N 292.382 3.540 30 20 CHED C=CCN(CCOC)Cc1cc(-c2ccccc2)ccc1O 792193743 ZFSACZXMMKNDHX-UHFFFAOYSA-N 297.398 3.694 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](c2ccccn2)C1 799193942 ORSAPISIUKVRLQ-WMLDXEAASA-N 277.371 3.504 30 20 CHED CCCCCCCCC(=O)N1C[C@H](C)O[C@H](C2CC2)C1 791836343 RGLZJRJSBMDZAG-HOCLYGCPSA-N 281.440 3.763 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798476043 VDENNJJKALJZLQ-QMTHXVAHSA-N 298.308 3.617 30 20 CHED CC[C@H](C#N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 593411473 NZGWHSOVCZNXQZ-SNVBAGLBSA-N 285.174 3.502 30 20 CHED CC[C@@H](NCc1cc(C#N)cs1)c1ccc(OC)cc1 93492142 OWRLKENRQNSFKF-MRXNPFEDSA-N 286.400 3.869 30 20 CHED CCCCCCCN1CCC([C@H]2CCCO2)CC1 784362487 UDVQQCKDQRRYRT-MRXNPFEDSA-N 253.430 3.848 30 20 CHED CCO[C@H]1C[C@@H](Nc2snc(C)c2C#N)C1(CC)CC 1306981039 BFTAOBSHTASUPO-OLZOCXBDSA-N 293.436 3.719 30 20 CHED CCOc1cccc(F)c1CN(C)Cc1cccc(C#N)c1 1308651591 YWRKUMUTPMSQRE-UHFFFAOYSA-N 298.361 3.728 30 20 CHED CC[C@H](Nc1nc(C)cc(C#N)n1)c1ccc(C)c(F)c1 1162953288 AFFAEHGLUVDLBH-HNNXBMFYSA-N 284.338 3.667 30 20 CHED C[C@@H]1CCC[C@H](CNc2c(C#N)cccc2C#N)[C@@H]1C 1163184814 JITCDQAVWBWHOE-XJKCOSOUSA-N 267.376 3.914 30 20 CHED CCOCc1ccc(N=Cc2cccc(OC)c2O)cc1 1318837985 USXJTXJNVHGBGD-UHFFFAOYSA-N 285.343 3.688 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H]1CCC(C)C 1168111526 FOMHYUUXIDKBBA-KRWDZBQOSA-N 286.419 3.967 30 20 CHED N#Cc1csc(CN2CC[C@H]3CCCC[C@@H]3C2)c1 1324712279 PWZHAYDDWKHCMA-ZIAGYGMSSA-N 260.406 3.632 30 20 CHED Cn1ccc(NN=C(CCC(C)(C)C)c2cscn2)n1 1329441680 VLYJVRDWPSGQPW-UHFFFAOYSA-N 291.424 3.519 30 20 CHED C[C@@H]1CC(NCCc2ccc(C#N)cc2)C[C@@H](C)C1 1258151695 MTTFVMGVDUDCJC-KBPBESRZSA-N 256.393 3.515 30 20 CHED N#CCOc1ccc(N[C@H](c2ccccn2)C2CC2)cc1 1334728436 DFOASBFWOAYLBO-KRWDZBQOSA-N 279.343 3.547 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CCc2c(F)cccc21 1330693538 CBNLNCUTMMMVOO-HNNXBMFYSA-N 282.318 3.805 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccnc(OC)c1 1337636667 BLSMVZUIWRDIQD-UHFFFAOYSA-N 292.423 3.913 30 20 CHED COc1cccc([C@H]2C[C@H](Nc3cccc(CC#N)n3)C2)c1 1344123459 DGSNRUQRJVHAIF-KOMQPUFPSA-N 293.370 3.514 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H]2CCC[C@@H](F)C2)cc1 1349314446 SZADMSISPVHASE-IMJJTQAJSA-N 275.367 3.630 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1CCCOc2ccccc21 1348749853 OHIQPLGTMYOFLM-OAHLLOKOSA-N 273.376 3.619 30 20 CHED CCCCCCCCCc1nnc(-c2cnccn2)o1 1341522726 ZVGHGLNJVOHQOX-UHFFFAOYSA-N 274.368 3.820 30 20 CHED CC(C)c1ccccc1NC(=O)c1csc(C#N)c1 1348482991 WUNJPPMWDHASJJ-UHFFFAOYSA-N 270.357 3.995 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1cccc(C#N)c1C 1355857192 HDTPVNZZEMKUCC-CQSZACIVSA-N 292.382 3.992 30 20 CHED C[C@H](CC(=O)N(C)Cc1cccc(C#N)c1)C(C)(C)C 108688927 RIBGCDDRVVYFPI-CYBMUJFWSA-N 272.392 3.589 30 20 CHED N#Cc1cc(N(Cc2ccc(F)cc2)CC2CC2)ccn1 1458184079 QJHOWQLLOHKVHE-UHFFFAOYSA-N 281.334 3.509 30 20 CHED C=C(CNC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccccc1 1527982022 ZUWPZGBOILPCFH-GRDNDAEWSA-N 271.404 3.888 30 20 CHED C=C(CNC(=O)c1oc(SC)cc1C)c1ccccc1 1527586320 ZOYSMBJAKHGCNA-UHFFFAOYSA-N 287.384 3.753 30 20 CHED CSc1cc(F)ccc1NC(=O)c1cccc(C#N)c1 1461126819 LGRJZPLOOBZVOO-UHFFFAOYSA-N 286.331 3.672 30 20 CHED COc1cc(NC(=O)c2ccc(C#N)o2)cc2ccccc12 1462988965 BSWXSNWHFGXGFU-UHFFFAOYSA-N 292.294 3.565 30 20 CHED O=C(O)c1ccc(C=NO[C@H]2CCCc3ccccc32)cc1 1610824381 VSIWZMPPBZEFDH-KRWDZBQOSA-N 295.338 3.813 30 20 CHED CCc1cc(Sc2cccc(F)c2C#N)nc(CC)n1 1559222811 NQUTUKMMKLPUHY-UHFFFAOYSA-N 287.363 3.763 30 20 CHED CN(CC1CCCCC1)C(=O)[C@H](CC#N)c1ccccc1 1629614063 UBWANEAYWAZFIR-QGZVFWFLSA-N 284.403 3.723 30 20 CHED CC[C@@H](CC#N)NCc1cc(F)cc(C(F)(F)F)c1 121541569 SDIQFCGDBLERGP-LBPRGKRZSA-N 274.261 3.626 30 20 CHED N#Cc1cc2c(nc1OCc1cccc(F)c1)CCCCC2 1644176689 QUCAPWKCSZONJF-UHFFFAOYSA-N 296.345 3.940 30 20 CHED N#Cc1c(Cl)nsc1NC[C@H]1CCC[C@@H]1C1CC1 1655567662 XLCVSDMWFOEOMD-NXEZZACHSA-N 281.812 3.906 30 20 CHED C=C(Cl)CN1CCN(c2ccc(Cl)cc2)CC1(C)C 1653730576 QQPPDVWGVFUAIA-UHFFFAOYSA-N 299.245 3.993 30 20 CHED CCC[C@H](NCCc1ccc(C#N)cc1)[C@@H]1CC1(C)C 1658538054 SXHJZEGFPQNDGG-IRXDYDNUSA-N 270.420 3.905 30 20 CHED C=C[C@@H](Sc1nc(C2CCCCC2)cs1)C(=O)O 1588714190 BEVYFLZGXFVVQG-LLVKDONJSA-N 283.418 3.922 30 20 CHED Cc1c(C#N)cccc1NCc1ccc2cc[nH]c2c1 1651151643 DVDDGSFQNHHEAI-UHFFFAOYSA-N 261.328 3.960 30 20 CHED C#Cc1cccc(CN[C@@H]2CCC[C@@H](CCCC(=O)O)C2)c1 1588522298 OJCGDFACDWUCGX-FUHWJXTLSA-N 299.414 3.571 30 20 CHED CC(C)c1ccc(C(=O)/C=C\c2cc(C(=O)O)co2)cc1 1591943135 DSUKBQCFIUPKAR-FPLPWBNLSA-N 284.311 3.997 30 20 CHED CC(CC1(C(=O)O)CCC1)=NO[C@H](C)c1ccccc1 1776083328 YBOZGSWYDZCPEN-CYBMUJFWSA-N 275.348 3.785 30 20 CHED C=CCC1(C(=O)O)CCN([C@H](CC)c2ccccc2)CC1 1776158007 HDAQQRGVQSATPT-MRXNPFEDSA-N 287.403 3.881 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNc1ccc(C(=O)O)nc1 1776069555 QDNZKLOFURDNSS-LBPRGKRZSA-N 289.379 3.784 30 20 CHED CCOc1cccc([C@H](C)NCc2ccccc2C#N)c1 161303122 ZLFAWGXGHKRMJF-AWEZNQCLSA-N 280.371 3.808 30 20 CHED C=CCN(C)C(=O)[C@@H](c1cccc(Cl)c1)C(C)C 161401657 OHYLGIISDYJYDZ-CQSZACIVSA-N 265.784 3.724 30 20 CHED C[C@H](C#N)Oc1ccccc1NCCc1cccs1 161521707 BWNIBCQVKLLLDZ-GFCCVEGCSA-N 272.373 3.694 30 20 CHED C[C@H](Sc1cccc(C#N)c1)C(=O)N(C)c1ccccc1 158743782 QMFPSLVBOYWCMW-ZDUSSCGKSA-N 296.395 3.702 30 20 CHED C#CCCCCNC(=O)Nc1ccc(O[C@@H](C)CC)cc1 152826873 VPNGPJGZMTVURU-AWEZNQCLSA-N 288.391 3.789 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc2ccccc2c1O 152668067 WAIWXAQVEXPVPP-CSKARUKUSA-N 292.338 3.658 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2c2ccccc2)c1 10089700 XBFFSUBDPHCDFD-SFHVURJKSA-N 262.356 3.895 30 20 CHED N#Cc1ccc(Oc2cccc(C(F)(F)F)c2)nc1 19841158 MGKAZIVOPBUBQL-UHFFFAOYSA-N 264.206 3.764 30 20 CHED N#Cc1ccc(Cl)cc1NCCc1ccccc1 36954294 QYJCBVNBMHBDOM-UHFFFAOYSA-N 256.736 3.866 30 20 CHED CCCCCN(CCOc1cccc(C#N)c1)C(C)C 42249934 SOJPIKDXCLGPSX-UHFFFAOYSA-N 274.408 3.838 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1cccc(F)c1 42336079 DOXAEECTHHRCGO-NSHDSACASA-N 272.298 3.687 30 20 CHED CC#CCCN[C@@H](C)CCc1ccc(OC(F)F)cc1 158324834 OTFKRLVNJOBFLR-ZDUSSCGKSA-N 281.346 3.612 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(Cl)n1 174441225 NFHAHJSHXGNZSA-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C[C@@H](CC(C)(C)C)C(=O)N1CCC(CCC#N)CC1 565953841 UOCKTPLXEMWUCS-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)c2cc(C)sc2C)n1 308181171 QBMBWRIPUGKHOT-JTQLQIEISA-N 286.404 3.762 30 20 CHED CCCCCCCCCN1CCC2(CC1)C[C@@H]2C(=O)O 405438244 OCEONTUKTDJEGZ-OAHLLOKOSA-N 281.440 3.924 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccccc2[N+](=O)[O-])c1 313024504 YAAYAKASEMCVAK-UHFFFAOYSA-N 288.690 3.699 30 20 CHED OC1=NC[C@H](/C(O)=N/[C@@H]2CCCCC23CCCC3)CC1 328678757 SXWAQMNWKYYTBS-CHWSQXEVSA-N 278.396 3.812 30 20 CHED Cc1ccsc1[C@H](C)NCc1ccc(C#N)s1 421896818 ZTFAVKIZGMHAQB-JTQLQIEISA-N 262.403 3.841 30 20 CHED N#CCC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 335763276 OZHXJRFXKLWVAR-UHFFFAOYSA-N 297.185 3.759 30 20 CHED N#CCc1cccc(NC(=O)C23CCC(CC2)CC3)c1 710105211 SPHWJNXQVRTDMP-UHFFFAOYSA-N 268.360 3.662 30 20 CHED C#C[C@@](C)(CC)NCc1nc(-c2ccccc2)cs1 384141061 FXPRFAXLDTXHTF-INIZCTEOSA-N 270.401 3.702 30 20 CHED N#Cc1sc(Nc2cnn(C3CCCC3)c2)nc1Cl 722365836 XRWGGTFPCOEHOO-UHFFFAOYSA-N 293.783 3.723 30 20 CHED Cc1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 567842 MTNPSZPAXRVCSB-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 1326738319 BVDPEJWVRSREFO-RISCZKNCSA-N 276.767 3.553 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc2[nH]ccc12 105028848 NAFRVFJMFSVYEA-UHFFFAOYSA-N 257.337 3.598 30 20 CHED N#Cc1cccnc1Sc1cccc(Br)c1 55307692 QFPFVAUJRFDCID-UHFFFAOYSA-N 291.173 3.867 30 20 CHED C=C(C)COC(=O)c1ccc(OCCCC)c(OC)c1 58793300 YAWFVZSZYPBMHQ-UHFFFAOYSA-N 278.348 3.607 30 20 CHED CN(CCc1cccs1)C(=O)Nc1ccc(CC#N)cc1 174713952 IPLQOPSIASFZGL-UHFFFAOYSA-N 299.399 3.521 30 20 CHED CCCCCCCC(=O)N1CCc2cc(OC)ccc2C1 59214338 HVUNYDYAMRPHJR-UHFFFAOYSA-N 289.419 3.940 30 20 CHED Cc1ccccc1NCCC(=O)Nc1cc(C#N)ccc1C 58287665 YJLVYEMORGPGQX-UHFFFAOYSA-N 293.370 3.616 30 20 CHED CC[C@@H](C)CN(CC)C(=O)CSc1ccc(C#N)cc1 176662286 BBJABYBERSMAMW-CYBMUJFWSA-N 290.432 3.545 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc3ccccc3n2)CC1 177913148 RZQPJSAQWDJQQQ-OAHLLOKOSA-N 295.430 3.536 30 20 CHED N#Cc1csc(CN2CCCc3ccccc32)c1 179548845 VUXSHLKESMSZOI-UHFFFAOYSA-N 254.358 3.573 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C/c1ccc(Cl)nc1 179387762 NAUOCHVVTNOEIL-SOFGYWHQSA-N 297.745 3.567 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 66645197 RYSFCEYGGRMAMI-HEHGZKQESA-N 264.413 3.647 30 20 CHED N#CCC[C@H](C#N)COc1cccc2ccccc12 119246142 BFHCVBHIOLJHDY-CYBMUJFWSA-N 250.301 3.662 30 20 CHED C#CCOc1ccc(C(=O)Nc2ccc(SC)cc2)cc1 303822381 FCNSZVLVELYSRF-UHFFFAOYSA-N 297.379 3.673 30 20 CHED N#CC1(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCCC1 408022651 UUUVPSSZAJKWSQ-BZUAXINKSA-N 288.435 3.936 30 20 CHED N#CCCCCNC1(c2ccc(F)cc2)CCCC1 170970616 OWJNVOKVVDGECH-UHFFFAOYSA-N 260.356 3.878 30 20 CHED CCc1cccc2c(CCNc3ccc(C#N)nc3)c[nH]c12 301523548 OPSFEVGWJRFCLH-UHFFFAOYSA-N 290.370 3.652 30 20 CHED CNC(=O)c1ccc(/C=C/C(=O)c2cccc(C)c2C)cc1 114992114 CMFUIWGLNGOMQO-FMIVXFBMSA-N 293.366 3.559 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@@H](C)C1)c1ccccc1 121625201 WCDWICGXVHBDFF-CABCVRRESA-N 257.377 3.605 30 20 CHED C[C@H](C#N)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 126730492 WXXGLORMDWYHED-PXAZEXFGSA-N 286.325 3.750 30 20 CHED C=C(CC)C(=O)N(C)Cc1c(CC)oc2ccccc12 1350842418 NQWZWQVQHQFMBW-UHFFFAOYSA-N 271.360 3.920 30 20 CHED CSc1cc(C)ccc1CNc1ccc(C#N)nc1 301582946 ADXZVJFHEBTGQD-UHFFFAOYSA-N 269.373 3.596 30 20 CHED CCc1nc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cs1 181738819 FENXFOUFXFFMBC-NEPJUHHUSA-N 285.416 3.989 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccsc1Cl 186959086 WKBOKIUEODDIJS-GFCCVEGCSA-N 273.785 3.569 30 20 CHED CC(C)(C)c1ccc(C[S@](=O)CCCCC#N)cc1 78702753 QEOLJHFJHJFTOO-IBGZPJMESA-N 277.433 3.927 30 20 CHED C=CCOc1cccc(CN(C)Cc2ccccc2OC)c1 505614967 ZMSYFRICIVNTHM-UHFFFAOYSA-N 297.398 3.892 30 20 CHED C=CCN(C(=O)c1cc(O)nc(C(C)C)c1)c1ccccc1 182781445 NXMNEHQGIPIBDV-UHFFFAOYSA-N 296.370 3.743 30 20 CHED CCN(CCC#N)C(=O)c1cccc(Cc2ccccc2)c1 412177716 LVNJOXXODSNXLE-UHFFFAOYSA-N 292.382 3.653 30 20 CHED C=CCOc1ccc(-c2nnc(SCC3CC3)o2)cc1 126317826 LSEYGOFQTQPVAT-UHFFFAOYSA-N 288.372 3.804 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1oc2c(C)cccc2c1C 410823961 BKDAVYDJCIUBCG-ZDUSSCGKSA-N 284.359 3.814 30 20 CHED C=CCN1CCC(NCc2cccc(SCC)c2)CC1 185523535 IBVHLZSEIKFOLW-UHFFFAOYSA-N 290.476 3.539 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C)n1 181836602 YTZSXCNZKHGKQS-UHFFFAOYSA-N 281.359 3.610 30 20 CHED Cc1ccc(-c2noc([C@H](C)SCCC#N)n2)cc1F 413012452 LQYRFGZYYRUWOD-JTQLQIEISA-N 291.351 3.892 30 20 CHED C[C@H](N[C@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1 188060045 NXQZLJCDRAYJLI-SJCJKPOMSA-N 296.345 3.872 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@]1(C)C(C)C 185713768 JQOWMJHCTHXRRV-HKUYNNGSSA-N 298.430 3.977 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)/C=C/c2ccccc2C#N)C1 33100569 YYQUWFFTIZJPEA-MHWBAHHKSA-N 282.387 3.609 30 20 CHED C=CC[C@H](C(=O)NCc1ccc(O)c(F)c1)c1ccccc1 186894735 QSTUKNMWBYTQGU-HNNXBMFYSA-N 299.345 3.507 30 20 CHED COc1cccc(/C=C2\CCc3c(O)cccc3C2=O)c1 78695183 JRGSRZUABFZQEV-JLHYYAGUSA-N 280.323 3.613 30 20 CHED COc1ccc(CN(C)Cc2ccccc2C#N)cc1C 71959380 BXYOPVMOWDLONE-UHFFFAOYSA-N 280.371 3.507 30 20 CHED CCCCCCCN1CCN(C2CCCC2)CC1 157535423 IERPNZWLOSEQPQ-UHFFFAOYSA-N 252.446 3.517 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 187284281 KCCKVWCADCOXRI-QRHJNKNDSA-N 288.435 3.647 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1ccccc1SC 184086083 PLKLZFJKENXKFS-TZMCWYRMSA-N 262.422 3.621 30 20 CHED CCCC(C)(C)NC(=O)c1cccc(SCC#N)c1 79442900 XMXCOHQACFBOSH-UHFFFAOYSA-N 276.405 3.611 30 20 CHED Cc1cc(C)cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 75276873 QSUCAJNWFMRFBD-AWEZNQCLSA-N 278.355 3.666 30 20 CHED CC(C)=CCC[C@@H](C)NCc1ccc(C#N)c(F)c1 449737227 QPBAZUUIWQBRLF-CYBMUJFWSA-N 260.356 3.922 30 20 CHED C=CCC1(C(=O)N(C)[C@H](CC)CSC)CCCC1 410666303 ZAKWEDMBJOAGRM-CYBMUJFWSA-N 269.454 3.723 30 20 CHED CCSc1cc(CNc2nc(C)cc(C)c2C#N)ccn1 189347640 FSFWTXQJBFFJOX-UHFFFAOYSA-N 298.415 3.689 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC(C)C)c(OC)c1 186075189 LYYSDTHBRXDXCB-UHFFFAOYSA-N 289.375 3.615 30 20 CHED CCCCCCCNC(=O)Nc1cccc([N+](=O)[O-])c1 137174293 FYVPFAPAKFPZNI-UHFFFAOYSA-N 279.340 3.687 30 20 CHED C=CCC1(c2nc(-c3ccc(CN)cc3)no2)CCCC1 414655262 ZNPVNCSSJWHIAS-UHFFFAOYSA-N 283.375 3.583 30 20 CHED N#Cc1ccc(CN(CC2CCC2)CC(F)(F)F)s1 180475662 TVYKQLLDGCPSRT-UHFFFAOYSA-N 288.338 3.784 30 20 CHED CC(C)(CN[C@H]1CCc2ccc(C#N)cc21)c1cccnc1 414343193 YCSGVJKMMZHVIO-SFHVURJKSA-N 291.398 3.508 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2ccsc2)SC1=S 48402674 XMVFLJASIANMJX-BJMVGYQFSA-N 281.427 3.525 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc21 412841253 OQBMOIBLBUHCFK-PKOBYXMFSA-N 291.394 3.630 30 20 CHED Cc1cc([C@@H](C)NCCCC#N)sc1Br 285854688 IGMPJSCTGGGGOJ-SECBINFHSA-N 287.226 3.773 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccc(F)cc2)cc1 131764471 QTGLITNCTBRTQM-AWEZNQCLSA-N 283.346 3.689 30 20 CHED N#C[C@H](C(=O)CCc1ccccc1Cl)c1ccccn1 46705961 YCFAJVWFCVRAGP-ZDUSSCGKSA-N 284.746 3.544 30 20 CHED N#Cc1ccc(C[S@@](=O)c2cccc(Cl)c2)cc1 84255816 DOFBWTYTVREQTB-SFHVURJKSA-N 275.760 3.519 30 20 CHED N#CC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1 49083061 NALLWYVTNDUULG-UHFFFAOYSA-N 279.343 3.647 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CCC1 190294125 PCKDJNBIZSDGJP-SJORKVTESA-N 299.414 3.769 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(C2CCCC2)C2CC2)c1 80870662 UQXIAFWUTHMRDE-ZWKOTPCHSA-N 294.398 3.595 30 20 CHED Cc1c(Cl)cccc1NC(=O)NCc1cccc(C#N)c1 43174294 BXSCLAKWMYUDOL-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C=C(Cl)CSc1nnc(-c2cccs2)n1CC 41098975 IXBWTVXJSMQXHF-UHFFFAOYSA-N 285.825 3.871 30 20 CHED C=C(C)COCCNC(=O)C[C@H](c1ccccc1)C(C)C 136180433 YYMXPCAIOGXRBT-KRWDZBQOSA-N 289.419 3.525 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@@H](C)C(C)(C)C#N 130738048 FLPJIZLAKYZPHE-AEGPPILISA-N 271.360 3.580 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(Oc2cnccn2)c1 134935157 VRWUIAFDLXCQHT-KRWDZBQOSA-N 297.358 3.810 30 20 CHED CSc1ccccc1C(=O)N(CC#N)c1ccccc1 195124993 ZUVFBNCZWHCICI-UHFFFAOYSA-N 282.368 3.579 30 20 CHED CC#CCn1ccc(=O)c2cc(Oc3ccccc3)ccc21 429305321 JECHGHQUZMURNQ-UHFFFAOYSA-N 289.334 3.817 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1 42267794 HVZRVVZGHLOMRL-UHFFFAOYSA-N 270.763 3.844 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NCc1cc(C#N)n(C)c1)CC2 191618463 DTGWFTHRFBLKQO-LJQANCHMSA-N 293.414 3.797 30 20 CHED CCCN(CC#N)Cc1ccc(-c2ccccc2F)o1 511470793 GKUXDMJTXIVETI-UHFFFAOYSA-N 272.323 3.821 30 20 CHED Cc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)cc1 424323760 JJBCICLZYFTNSW-XKQJLSEDSA-N 254.377 3.728 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]1C#N 331153182 XSDGHUUUOPHZAK-PMPSAXMXSA-N 276.424 3.791 30 20 CHED N#Cc1c(Cl)nsc1N1CCS[C@@H]2CCCC[C@@H]21 92670726 RMDCDCCOZJATDO-VHSXEESVSA-N 299.852 3.533 30 20 CHED Cc1c(C(=O)N2CCCCC2)sc2ccc(C#N)cc12 335317852 PGWJAVBEMYBBOH-UHFFFAOYSA-N 284.384 3.708 30 20 CHED N#CC1(N(C(=O)c2ccc(F)cc2Cl)C2CC2)CCC1 336068128 UXUVCJMSDULRHL-UHFFFAOYSA-N 292.741 3.530 30 20 CHED C[C@@H]1C[C@@H](/C(O)=N/Cc2ccc(C3CC3)cc2)CC(O)=N1 330160309 RBALJJXPJSRJDZ-IAQYHMDHSA-N 286.375 3.776 30 20 CHED C[C@@H](/N=C(/O)Nc1ncc(C(C)(C)C)s1)c1ccon1 330841556 ZQSGLCKMPLBGNR-MRVPVSSYSA-N 294.380 3.516 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(OC)c(O)c1 92261506 YYANRBRKHRUUGL-UHFFFAOYSA-N 283.371 3.589 30 20 CHED CCCC(C)(C)CC(=O)Nc1ccc(C#N)c(C#N)c1C 421563461 XFIGIJGQYZWXIE-UHFFFAOYSA-N 283.375 3.893 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@@H](F)C1 515349436 KCILWDQYWRZKCL-CHWSQXEVSA-N 296.411 3.726 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccccc1C(F)(F)F 429894540 XTDUKWLHRKLEMS-UHFFFAOYSA-N 299.336 3.966 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC(C)(C)c1ccc(F)cc1 513377790 MXKOKHOYMSKVPD-OAHLLOKOSA-N 292.398 3.757 30 20 CHED CC[C@H](CC#N)/N=C(/O)c1sccc1C(C)C 330876654 KCASKHXLLFKQJD-SNVBAGLBSA-N 250.367 3.868 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC(CC)CC2)c1 511015770 LQOULAUOANKPNR-UHFFFAOYSA-N 288.391 3.905 30 20 CHED CN(Cc1csc2ccccc12)c1ccnc(C#N)c1 339968393 BFBPXDQHCSHSFY-UHFFFAOYSA-N 279.368 3.804 30 20 CHED CCCCc1ccc(CC(=O)N(CCC#N)C(C)C)cc1 522590826 YVCFCYAABKXWBH-UHFFFAOYSA-N 286.419 3.722 30 20 CHED COc1cc(C(=O)/C=C\c2cccc(Cl)c2)ccc1O 96792750 BXUZIOGKWBZCGZ-ALCCZGGFSA-N 288.730 3.950 30 20 CHED Cc1cc(C)cc(CCC(=O)NCC(C)(C)CCC#N)c1 345915669 VHJSCVCQHWRRDO-UHFFFAOYSA-N 286.419 3.682 30 20 CHED C[C@@H]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H](C)C1 435367474 WRVDPGRLZNOCTR-CPUCHLNUSA-N 296.414 3.531 30 20 CHED C=CCCC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 247260141 FAFJBDJTROUZQC-IIAWOOMASA-N 257.377 3.746 30 20 CHED CC(C)CN(CCc1ccncc1)Cc1ccc(C#N)cc1 346779228 NIBSVDIDBOHORG-UHFFFAOYSA-N 293.414 3.654 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](NCCCC#N)C1 346332870 MPFQGCIWYOXYRV-BHYGNILZSA-N 256.393 3.852 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(C(F)(F)F)c(F)cc1C 601596831 VICYJPNRANCIJI-QMMMGPOBSA-N 288.244 3.641 30 20 CHED C=C(C)CN1CCc2c(ccc(Cl)c2Cl)C1 523893863 AVRLSGKNIHPPFB-UHFFFAOYSA-N 256.176 3.928 30 20 CHED C[C@H](CCC#N)CN1CCn2cccc2[C@@H]1c1ccccc1 602442323 LYBQEQHESPEXAB-APWZRJJASA-N 293.414 3.833 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1C#N 609092636 GEOHJZNGYBUJRG-CHWSQXEVSA-N 256.349 3.713 30 20 CHED C[C@@]1(C(=O)Nc2cccc(CC#N)c2)C[C@H]2CC[C@H]1C2 529469927 SXHUASGAFOQAGY-GRDNDAEWSA-N 268.360 3.517 30 20 CHED N#CCC[C@H](NCc1cnc(C2CC2)o1)c1ccccc1 600141866 KBQNYHOSROKRMZ-INIZCTEOSA-N 281.359 3.687 30 20 CHED COc1ccc(CNc2ccc(CC#N)cc2)c(C)c1OC 342059721 LRFMUBLQPXBFSY-UHFFFAOYSA-N 296.370 3.690 30 20 CHED CCCN(C(=O)C12CC(C1)C2)c1cc(Cl)ccc1C#N 602270655 XGLMUKCAZWQFFD-UHFFFAOYSA-N 288.778 3.755 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)CC)ccc1O 436652717 QAXNOTCZFRRCNA-MRXNPFEDSA-N 275.348 3.526 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1cc(F)cc(F)c1 433928166 XKTKXBCIWGDCFA-GFCCVEGCSA-N 296.361 3.851 30 20 CHED COc1ccc([C@@H]2CCCC[C@@H]2NCCCC#N)cc1F 346827338 JCUKXUVCLGJCKH-HOCLYGCPSA-N 290.382 3.754 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@@H](C)CCc1ccccc1 435742685 WQTFXRYKKYXVHE-WDSOQIARSA-N 287.447 3.826 30 20 CHED CCOc1ccc(CNc2ccc(COC)c(C#N)c2)cc1 527761053 AUSOXATXGSUTKN-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C=C(C)CSCc1cn2cc(Br)ccc2n1 439541730 MUHOGFJKHQYPMT-UHFFFAOYSA-N 297.221 3.906 30 20 CHED C=CC[C@@H](C)N[C@@H](c1ccc(F)cc1)c1cccnc1 346620427 IJFFVMFTJLYKBX-DYVFJYSZSA-N 270.351 3.864 30 20 CHED O=C(/C=C\c1ccc(O)cc1)c1ccccc1OC(F)F 255571221 BSPKNXWKTWSBBL-YFHOEESVSA-N 290.265 3.890 30 20 CHED CC1(C)CCCN(C(=O)CC2(c3ccccc3)CC2)[C@H]1C#N 529172763 RCTGEQRYUHKJJQ-INIZCTEOSA-N 296.414 3.649 30 20 CHED C=CC(C)(C)C(=O)NCCc1c[nH]c2c(CC)cccc12 448955801 MWZGKXDCRYIRGM-UHFFFAOYSA-N 284.403 3.601 30 20 CHED N#Cc1cccc(C2(NCc3cccc4[nH]ccc34)CC2)c1 341216617 SXOVRNJSEWTIEI-UHFFFAOYSA-N 287.366 3.818 30 20 CHED CC(C)Oc1ccc([C@H](C)NCc2cccc(C#N)n2)cc1 602516152 IVGKMFJXTOSNKF-AWEZNQCLSA-N 295.386 3.591 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(C(F)(F)F)c1 54178299 LTAMUOODTQDJAF-JTQLQIEISA-N 285.269 3.519 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@H]1CC)c1ccccc1 536192148 OTNGUAXOMAAPJE-GOEBONIOSA-N 257.377 3.747 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCc2cc(C#N)cs2)o1 539458541 KMCQYRQWIGGOIC-IINYFYTJSA-N 272.373 3.626 30 20 CHED C/C(=C/c1ccccc1OC(F)F)CNCCCC#N 352829282 AEGHELRKVAJFOU-BENRWUELSA-N 280.318 3.585 30 20 CHED N#C[C@@H]1CC[C@H](NCCCCCc2ccccc2)C1 442790472 GRPYHKIRCLQHEI-SJORKVTESA-N 256.393 3.681 30 20 CHED C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H]1c1ccccc1 267191010 HGNIONJEAYEWNZ-BZNIZROVSA-N 283.762 3.804 30 20 CHED N#CCc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1 359938177 TVBIEUXNAVQLPX-UHFFFAOYSA-N 296.414 3.939 30 20 CHED C=CCOCCCC(=O)N(CC)c1ccccc1Cl 266688764 UWJGVLVJCMCCEI-UHFFFAOYSA-N 281.783 3.676 30 20 CHED C=CCCCSCC(=O)N1c2ccccc2C[C@H]1C 609805232 XQPSQHPTXNDVOE-CYBMUJFWSA-N 275.417 3.664 30 20 CHED C[C@H](N[C@@H]1CCC(C)(C)C1)c1ccc(C#N)c(F)c1 537405206 WWQVRHXGHVCDAB-SMDDNHRTSA-N 260.356 3.927 30 20 CHED C=CCC[C@@H](NCc1ccc2c(c1)COC2)C1CC1 358287209 AUMWINMSFDYDRP-QGZVFWFLSA-N 257.377 3.551 30 20 CHED C=CCC1(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)CCC1 357405916 VNASLVNTXUYDMM-UHFFFAOYSA-N 295.386 3.866 30 20 CHED CSc1ccc(/C=C\c2ccc(C#N)cn2)s1 351991347 SXIGDBISMTUSKA-PLNGDYQASA-N 258.371 3.907 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 537235726 LWZUUAMZSPHFDG-LBPRGKRZSA-N 290.363 3.632 30 20 CHED N#Cc1cccc(CNC(=O)Nc2ccc3ccoc3c2)c1 443362123 OIOXYVIJEYXPTC-UHFFFAOYSA-N 291.310 3.626 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cnc(C2CC2)s1 530348045 JLMBNGMXVUSKQM-UHFFFAOYSA-N 291.420 3.565 30 20 CHED CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CC1(C)C 356402720 ZFGPLTKYLBYCIL-CYBMUJFWSA-N 282.309 3.807 30 20 CHED Cc1cc(C)c(NC(=O)NCC(C)(C)C#N)c(Cl)c1 611620231 ZPWNPDRFVREGPJ-UHFFFAOYSA-N 279.771 3.628 30 20 CHED CC(C)n1ncc2cc(Nc3ncccc3C#N)ccc21 610512540 MTKWEOFKEMJQFJ-UHFFFAOYSA-N 277.331 3.627 30 20 CHED C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(CCCC(C)(C)C#N)C1 350160726 NTRLTCMUNCJJOQ-IXDOHACOSA-N 291.483 3.654 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@](C)(C#N)C2)o1 612406963 YFROSSOPEWFAPE-IVMMDQJWSA-N 258.365 3.529 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccco1 610896693 PUKVPINRFGKNLA-VIFPVBQESA-N 274.707 3.547 30 20 CHED CC[C@@H](C(=O)N(CCC#N)CC1CC1)C1CCC(C)CC1 359321855 VZBQLWMKJGFKKW-BDVYOWHSSA-N 290.451 3.991 30 20 CHED Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 538266662 FSSUKHTXOVONGH-UHFFFAOYSA-N 270.719 3.772 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(Cl)c1 618734326 CNTNNVJNANEURF-MRXNPFEDSA-N 296.757 3.629 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C 267792555 XUKYAZLKYLDDRE-BETUJISGSA-N 285.391 3.607 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)NCC(C)(C)CCC#N 358682928 JWFZTJCCPGESSQ-CQSZACIVSA-N 287.407 3.719 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)c(C)c1 443980298 QKLGXAVUDJCRGH-LJQANCHMSA-N 276.383 3.952 30 20 CHED CC(C)(C#N)CCN1CCC(CN2CCCCCC2)CC1 611462517 NALOFKBWGIAGDN-UHFFFAOYSA-N 291.483 3.514 30 20 CHED COC1CCC(C)(CN[C@@H](C)c2cccc(C#N)c2)CC1 358995216 CNGBHCOCVNGIDS-NNGSBXSVSA-N 286.419 3.804 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCC(F)(F)C2)cc1Cl 610791923 KHVMSRYNGWVUNM-SNVBAGLBSA-N 299.708 3.521 30 20 CHED N#CC1(C(=O)N2CCc3ccc(Cl)cc32)CCCCC1 531223295 NOIKYGGTOLWYIK-UHFFFAOYSA-N 288.778 3.703 30 20 CHED C=CC(C)(C)CNC(=O)N1CC(CC)(c2ccccc2)C1 458991187 SZUSHRXYSHFSQF-UHFFFAOYSA-N 286.419 3.572 30 20 CHED CCC[C@H](CC)N=c1c(C#N)c[nH]c2c(F)ccc(F)c12 610274552 CSHSCMHWEABDAO-NSHDSACASA-N 289.329 3.797 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1CC)c1nc2c(s1)CCCC2 450060745 KDDVNJCJIMMTRF-VXGBXAGGSA-N 290.432 3.587 30 20 CHED Cc1cc(F)cc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 610911700 HLWATIWIJYTDOW-LBPRGKRZSA-N 297.333 3.889 30 20 CHED CCn1c(C)cc(C(=O)Nc2cc(C)cc(C#N)c2)c1C 456965039 MELCNFJDZLMJTH-UHFFFAOYSA-N 281.359 3.557 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCCCC2(C)C)CCOCC1 618248289 ALNWPGNADVLITD-HNNXBMFYSA-N 293.451 3.834 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@H]1c1cccc(F)c1 610728862 QOEXTGUSIQHUGU-KRWDZBQOSA-N 284.309 3.783 30 20 CHED C=CCOc1ccccc1C(=O)N(CC1CC1)C(C)C 611836420 WVZFQOWGGHPDDZ-UHFFFAOYSA-N 273.376 3.512 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3ccc(O)cc32)CCCC1 618967532 AOJJYRDNWYEEPF-INIZCTEOSA-N 285.387 3.632 30 20 CHED CC#CCCNC(=O)c1ccccc1SCC=C(C)C 544581093 HNYGBGROZLPYPU-UHFFFAOYSA-N 287.428 3.888 30 20 CHED CC#CCCCC(=O)N1CCC(c2cccc(F)c2)CC1 364058161 SVJGNXDSBHCOFD-UHFFFAOYSA-N 287.378 3.725 30 20 CHED C[C@H]1C[C@H](NCCCCC#N)c2ccsc2S1 361113999 PVZMMOWPLZVYAQ-JQWIXIFHSA-N 266.435 3.957 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)c2ccccc2)C1 617779955 LMKDBTYCRVSRLM-GJZGRUSLSA-N 257.377 3.605 30 20 CHED C=C(C)CN(CC)Cc1c(C)nn(C(C)(C)C)c1C 270974895 AJGHACHMPRVLKB-UHFFFAOYSA-N 263.429 3.653 30 20 CHED C=CCC1(C(=O)NCCCCCN2CCCC2)CCCC1 452154432 VJVZPJSPZYSXBI-UHFFFAOYSA-N 292.467 3.505 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)OCc1ccc(F)cc1 450427073 RJLGFTQBRDYSLU-KGLIPLIRSA-N 293.382 3.592 30 20 CHED C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 271426773 CVEFAZHLJSDQMO-KUHUBIRLSA-N 292.382 3.927 30 20 CHED Cc1ccc(C)c(Cc2noc(-c3ccc(C#N)cc3)n2)c1 545608728 TYBQJJVSYOFBNK-UHFFFAOYSA-N 289.338 3.816 30 20 CHED C=C(C)CCNC(=O)N1CCCCC[C@@H]1c1ccncc1 459025918 RDFITWNONFRBAZ-MRXNPFEDSA-N 287.407 3.675 30 20 CHED C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C1CCOCC1 360648738 RXPCMTXUIBPBER-AUUYWEPGSA-N 298.430 3.730 30 20 CHED C=CCN(C(=O)Nc1ccc(C)cc1OCC)C1CC1 271500579 JCRMCWJZUSPGFL-UHFFFAOYSA-N 274.364 3.576 30 20 CHED CN(CCC(C)(C)C#N)c1cccc2cccnc12 450899928 FEONRORILOWCEN-UHFFFAOYSA-N 253.349 3.611 30 20 CHED CCCN(CC)C(=O)Nc1ccc(CC#N)cc1Cl 455694526 ABGXVFHVFVBILP-UHFFFAOYSA-N 279.771 3.670 30 20 CHED C[C@@H]1C[C@@]1(NCC1(C#N)CCC1)c1ccc(Cl)cc1 450929267 UCJPVQIWNATEBG-WBMJQRKESA-N 274.795 3.859 30 20 CHED N#Cc1cccnc1NCc1ccccc1N1CCCCC1 272174607 HWMSZXNGZTYOQE-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@H](C)c1ccco1 623992838 ALMDMLXXMZEIMT-HNNXBMFYSA-N 283.371 3.988 30 20 CHED C=CCCc1noc([C@H](C)c2ccc(F)c(F)c2)n1 453224977 CKYDZHIKWBEIGI-SECBINFHSA-N 264.275 3.618 30 20 CHED COc1cc(C#N)ccc1NC(=O)Nc1cscc1C 545295471 NEZSCGMTRKTHPT-UHFFFAOYSA-N 287.344 3.581 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccccc1-c1cnn(C)c1 540150592 GNXUAOKGUHJAKG-LSDHHAIUSA-N 283.419 3.777 30 20 CHED C=CCCCCNC(=O)c1c(C)[nH]c2ccccc12 274690257 LGADVAPQRFGHSN-UHFFFAOYSA-N 256.349 3.562 30 20 CHED C#Cc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1 377551654 ZEYXGAUFTQIZAJ-OAQYLSRUSA-N 298.389 3.942 30 20 CHED C=CCC1(NCCc2cscn2)CCCCC1 625934208 FEZYCTLHIHTDLZ-UHFFFAOYSA-N 250.411 3.554 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 464762437 VLKPMPDOILGIIJ-NXEZZACHSA-N 286.297 3.640 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2ccc(F)cc2C#N)C1(C)C 463471432 XHUNAEHJWAGQFZ-HUUCEWRRSA-N 276.355 3.701 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCC1(C)C 540487133 MYYYLHUPANLVQJ-QWHCGFSZSA-N 252.402 3.609 30 20 CHED C=CCNC(=O)Nc1cc(Cl)ccc1OCC1CCC1 466687469 XLQSAEVPFUMFGQ-UHFFFAOYSA-N 294.782 3.826 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 463037783 NPYDGIIZUFBCCU-HZPDHXFCSA-N 293.451 3.787 30 20 CHED COCC(C)(C)CCCNc1nc(Cl)c(C#N)s1 288581508 RQQJUJOOMXIXHE-UHFFFAOYSA-N 287.816 3.533 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)c(F)cc1F 620858224 AGTZTONRYUOCMJ-UHFFFAOYSA-N 267.319 3.748 30 20 CHED C[C@H](NC[C@@H]1CCC[C@H]1C)c1ccc(C#N)c(F)c1 467433265 PDISCOWGYVLYQK-XUJVJEKNSA-N 260.356 3.784 30 20 CHED C[C@H](Sc1ccccc1)C(=O)N[C@@](C)(C#N)C(C)(C)C 464157529 FFOXKWBZHKWHLL-LRDDRELGSA-N 290.432 3.612 30 20 CHED CCN(CCCC(C)(C)C#N)CCN1CCCCCC1 553921844 HVNOBBCRLWIYGP-UHFFFAOYSA-N 279.472 3.514 30 20 CHED N#Cc1ccc2c(c1)[C@@H](Nc1ccc(F)cc1)CC2 554986175 DFOBEFLKHQBZBE-INIZCTEOSA-N 252.292 3.797 30 20 CHED CC[C@@H](C)CCC(=O)N[C@@H](C)c1ccc(C#N)cc1 285487766 OVWXSUDENFKZNG-OLZOCXBDSA-N 258.365 3.562 30 20 CHED N#Cc1ccnc(N2CCc3ccc(Cl)cc32)c1Cl 557541185 IWWBXEKFJQLACM-UHFFFAOYSA-N 290.153 3.954 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N(C)C[C@@H](C)C#N 280716634 JFWKPPLQKAROIE-ZDUSSCGKSA-N 287.407 3.743 30 20 CHED CC#CCN(C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 550125922 CMWRXXMWXFUTBG-UHFFFAOYSA-N 299.805 3.561 30 20 CHED CCSc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 558245465 IIHVIILKTSBIDT-ZDUSSCGKSA-N 297.427 3.916 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 285002346 GFFSRZWJPCTIPS-SFHVURJKSA-N 297.402 3.649 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@H]2CCC[C@@H](C)C2)no1 288997707 SQFQRDHRBUXOFK-KOLCDFICSA-N 271.320 3.803 30 20 CHED Cc1cc(N2CCC[C@@H]2Cc2ccc(F)cc2)cc(C#N)n1 552951824 GUUKTNPLFQGDOU-QGZVFWFLSA-N 295.361 3.612 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1[C@@H]1CCC[C@@H](C)C1 639402788 CCQPDZYDTAZNHG-CPUCHLNUSA-N 284.403 3.893 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccnc(Cl)c1 806175735 DWZSZHUVZACQPE-NSHDSACASA-N 265.788 3.716 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 297846000 NMVSVAOGPQDPQV-RKDXNWHRSA-N 262.378 3.654 30 20 CHED CC(C)(C)c1nc(O)cc(/C=C\c2cccc(C#N)c2)n1 470256048 UDJPVHBERIPOQX-FPLPWBNLSA-N 279.343 3.522 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCCC1(C)C 569540188 UCQGRQJHXONSBH-KFWWJZLASA-N 251.414 3.526 30 20 CHED C=CCC(C)(C)C(=O)NCCCc1ccc(C)cc1C 644787378 RTSIEHWXXAKDKT-UHFFFAOYSA-N 273.420 3.955 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCCSC2)cc1 562061175 GDMXDDUOCDSWCR-LBPRGKRZSA-N 288.416 3.569 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H]1CCC[C@H](OC)C1 476091007 NGNBEBXMAAETBX-HOTGVXAUSA-N 281.440 3.787 30 20 CHED CC(=O)c1c(F)cccc1NCC(C)(C)CCC#N 808093488 PCIWZVFOLKCNOO-UHFFFAOYSA-N 262.328 3.770 30 20 CHED N#CCCC1CCN(C(=O)C2(Cc3ccccc3)CC2)CC1 565021208 RHDNGIGYYDNJNX-UHFFFAOYSA-N 296.414 3.552 30 20 CHED COc1ccc2cc(NC(=O)NCC(C)(C)C#N)ccc2c1 806611906 NUFBGMORUSVPMG-UHFFFAOYSA-N 297.358 3.520 30 20 CHED COC(=O)c1ccc(/C=C2\C(=O)c3ccccc3[C@@H]2C)cc1 809158431 AHSJBIPPJUZUOS-UEMWTREESA-N 292.334 3.857 30 20 CHED COc1ccc(C[C@H](C)CN(CCC#N)C(C)C)cc1F 569634056 LPQUUVRGNVOUIM-AWEZNQCLSA-N 292.398 3.637 30 20 CHED C#C[C@H](NC(=O)c1oc2ccc(F)cc2c1C)C(C)(C)C 807884826 YUSSDJOJYNYHQD-AWEZNQCLSA-N 287.334 3.658 30 20 CHED C[C@H]1/C(=C\c2cccc3c2OCCO3)C(=O)c2ccccc21 809158489 ATIIRVXMYMZUEH-PILJQMSFSA-N 292.334 3.841 30 20 CHED C#Cc1ccc(CNCC2(CCOCC)CCCC2)cc1 809626739 OASPUPIZEQZERF-UHFFFAOYSA-N 285.431 3.745 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cc(SC)ccc1C 806391947 WZDJWXPHXTUJBV-LBPRGKRZSA-N 276.405 3.640 30 20 CHED CCCN(CCCC(C)(C)C#N)CCN1CCCCCC1 564153437 SJGKWBFHNXCNSN-UHFFFAOYSA-N 293.499 3.904 30 20 CHED CC#CC(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 801136006 QMINAEKJQKWUJZ-UHFFFAOYSA-N 290.775 3.734 30 20 CHED C[C@@H](COc1ccccc1)NN=CC1CCCCC1 811666179 ZTMBREFRACQIKE-AWEZNQCLSA-N 260.381 3.610 30 20 CHED Oc1cc(C=NOCCC2CC2)cc(C(F)(F)F)c1 814245055 IUFMZPQRYIBZJU-UHFFFAOYSA-N 273.254 3.562 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H]1CCc2ccccc21 644961563 IOEFWZGXBKOELM-OAHLLOKOSA-N 271.404 3.825 30 20 CHED C[C@H](NN=C[C@H]1CCCC(C)(C)C1)c1ccncc1 819816906 RTMACOZPYOPKCE-KBPBESRZSA-N 259.397 3.934 30 20 CHED CC(C)[C@@H]1CC(=NNc2cc(C#N)cc(Cl)n2)CS1 814891964 YUPQGOHLDUXMAN-NSHDSACASA-N 294.811 3.536 30 20 CHED Cc1csc(NC(=O)[C@H]2CC[C@H](C)CC2)c1C#N 563220222 HYOUXYQPIXPQAP-HOMQSWHASA-N 262.378 3.693 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](CCC)CCO 657896797 VZZNFSDFOOUOAI-XHSDSOJGSA-N 253.430 3.510 30 20 CHED COc1cc(OC)c(C(C)=NOCC2CC2)cc1Cl 814243224 MBLUFNZQKJHUFT-UHFFFAOYSA-N 283.755 3.508 30 20 CHED Cc1cnc([C@@H](NCc2ccc(C#N)c(C)c2)C2CC2)s1 488272196 MCEDHMSSWZXETC-INIZCTEOSA-N 297.427 3.873 30 20 CHED C=C(C)CN(C)C(=O)NCc1cc2ccccc2s1 486329634 BIFSYTJQAVMUPS-UHFFFAOYSA-N 274.389 3.619 30 20 CHED C=CCCCCCCCNC(=O)/C=C\C1CCOCC1 810766970 NFJAMJYHNWDFRB-KTKRTIGZSA-N 279.424 3.612 30 20 CHED C=CC[C@H](Cc1ccccc1)NC[C@@H](O)c1ccccc1F 819368145 MXDTZDXYMAXZJX-VQIMIIECSA-N 299.389 3.636 30 20 CHED C=CCCOCc1nc(-c2cccc(C(C)(F)F)c2)no1 651434127 XLSNLDWNMRBXBX-UHFFFAOYSA-N 294.301 3.941 30 20 CHED Cc1cccnc1NN=C1CCOc2c(Cl)cccc21 814911309 APNSARQWILSRRL-UHFFFAOYSA-N 287.750 3.642 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2cc(OC)ccc21 814266739 YJBFSIOFZRXLCR-UHFFFAOYSA-N 273.376 3.577 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 488969724 JSKMDGZPMDUYIE-DLBZAZTESA-N 286.419 3.615 30 20 CHED CC(=NNc1ccc(Cl)nc1)[C@@H](C)CCCCC(=O)O 814858596 DCYKBEXEARMBMU-JTQLQIEISA-N 297.786 3.804 30 20 CHED CC[C@](C)(C#N)c1nc([C@@H]2CCCC(C)(C)C2)no1 576384415 ITGNBHRSJSVDKE-IAQYHMDHSA-N 261.369 3.945 30 20 CHED C=CCN(Cc1ccccc1F)CC1(O)CCC(C)CC1 570561124 WRIWUQUYVVSFEN-UHFFFAOYSA-N 291.410 3.755 30 20 CHED C=CCCC(=O)OCc1ccc(Cl)c2cccnc12 726649983 KYQAKBGRZLONMW-UHFFFAOYSA-N 275.735 3.898 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)ccc1F 729149435 HQEALWLHQKSCEW-UTCJRWHESA-N 298.313 3.801 30 20 CHED C=CCCC(C)(C)NCc1ccc(-c2cc[nH]n2)o1 657804644 AGKQCBNYERBURL-UHFFFAOYSA-N 259.353 3.504 30 20 CHED C=CCCCCNc1cc(C(N)=O)c(Cl)cc1Cl 651232847 OJTJVSGQSRUAMU-UHFFFAOYSA-N 287.190 3.861 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(C(C)C)cc2)on1 821021018 AZZHTZRVHYPTRF-TWGQIWQCSA-N 271.316 3.703 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2cccc(Cl)c2C1 822404743 PWJWSASTWIEGDY-GFCCVEGCSA-N 277.795 3.827 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1scc(C)c1C#N 570814210 XWRLTXLIYNJAKJ-UHFFFAOYSA-N 299.399 3.901 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(N(C)C)cc1)C2=O 729150827 NDKAZOZMJGRJSQ-RVDMUPIBSA-N 277.367 3.883 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCC(C)(C)CC=C)C1 661232388 FQHDCGZUSIKVLV-AWEZNQCLSA-N 264.413 3.586 30 20 CHED C=CCN(CCc1ccccc1)c1cc(Cl)nc(C)n1 726966901 CAWAYLFESSRTMH-UHFFFAOYSA-N 287.794 3.674 30 20 CHED C#CCCCOC(=O)c1ccc(Cl)c(Cl)c1 727040842 VGQAYBIDNRZJSX-UHFFFAOYSA-N 257.116 3.564 30 20 CHED C[C@@H](OC(=O)C=C1CCCC1)c1cccc(C#N)c1 727636067 RDTDRBXIERMXLR-GFCCVEGCSA-N 255.317 3.663 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(F)cc1OC 665491922 LGAXGRLVHMGAFX-UHFFFAOYSA-N 280.343 3.701 30 20 CHED Cc1cc(OCc2cccc(F)c2C#N)c(C)c(C)n1 580465743 VMBVPRKASVOJSQ-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1OC(F)F 490093369 APTMYCNTBFJZGZ-UHFFFAOYSA-N 292.285 3.528 30 20 CHED CCCC(Cc1ccccc1)=NNc1cc(C)nc(C)n1 727254921 CXORCQVYBJHYTL-UHFFFAOYSA-N 282.391 3.904 30 20 CHED CC(C)(C)Oc1cccc(NC[C@@H](C#N)CCC#N)c1 901657022 PBFSBECUQHEHMT-CYBMUJFWSA-N 271.364 3.719 30 20 CHED N#CCCCCCC(=O)NCc1c(F)cccc1Cl 588154706 FDXDAGHJLXLUEU-UHFFFAOYSA-N 282.746 3.569 30 20 CHED C=C(C)CCc1noc(-c2oc(SC)cc2C)n1 664878548 WTJLRFJXUDDXDG-UHFFFAOYSA-N 264.350 3.869 30 20 CHED C[C@H]1CCC[C@H](N2CCC(=NNc3ccccn3)CC2)C1 733746415 NSMBHAMNHWLNSI-HOCLYGCPSA-N 286.423 3.524 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 732900871 XLUBEALOFOJXBG-CVEARBPZSA-N 278.355 3.527 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCCCC(C)(C)C#N 838118399 UWGMGPGWOSIHHB-JTQLQIEISA-N 279.302 3.838 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2sccc2C)cc1 588419464 MYWVUMWTYUOQDP-FPLPWBNLSA-N 285.368 3.911 30 20 CHED CC(=NNc1cccc(Cl)c1)c1cncc(F)c1 737415588 CTGIYBMITTWOSN-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C=CCC1(NC(=O)NCCC[C@@H]2CCCCO2)CCCC1 664665617 NMPFOOUJOIUWSZ-HNNXBMFYSA-N 294.439 3.524 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc2ccccc2o1 908636071 OXGVNLDQTRQQRP-CQSZACIVSA-N 297.354 3.573 30 20 CHED CC(C)(C)c1noc(OCCCCC2(C#N)CCC2)n1 901491884 VAZQIYQVQXSZAC-UHFFFAOYSA-N 277.368 3.610 30 20 CHED C=CCCCCN[C@H](C)c1cnc(OC)c(Cl)c1 583372487 FUABSGHZSMOWCO-LLVKDONJSA-N 268.788 3.751 30 20 CHED CC[C@@H](N[C@H](C)Cc1ccccn1)c1cccc(C#N)c1 903045000 PBUCAJVLEQEDRJ-RDTXWAMCSA-N 279.387 3.625 30 20 CHED CC(=NNc1cncc(Cl)n1)[C@H]1CCCC[C@@H]1C 834937976 CAANQLLQLXMFJA-ONGXEEELSA-N 266.776 3.744 30 20 CHED O=C(/C=C/c1ccccc1OC1CCCC1)c1ncco1 901520592 XFEHRQHXSJTJPI-MDZDMXLPSA-N 283.327 3.892 30 20 CHED N#CCSc1ccccc1C(=O)NCC1=CCCCC1 833789950 FLJPWMHHYSHCSS-UHFFFAOYSA-N 286.400 3.532 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC(C3CCCC3)C2)cc1 839145155 ZBUJYZHXEBDMAU-AWEZNQCLSA-N 284.403 3.599 30 20 CHED CCc1cccc2c(/C=C\C(=O)c3cnn(C)c3C)c[nH]c12 588397178 FCTKIRNPUOVTHU-HJWRWDBZSA-N 293.370 3.668 30 20 CHED C=CCCCCS(=O)(=O)Cc1cccc(Cl)c1 580761373 FKGZGTAKNLGXBL-UHFFFAOYSA-N 272.797 3.611 30 20 CHED C#CCOc1ccccc1CNCC1(c2ccccc2)CC1 915225434 DMURTHGQEPZNRP-UHFFFAOYSA-N 291.394 3.520 30 20 CHED Oc1ccccc1/C=N/[C@@H](Cc1ccccc1)C1CC1 736430632 CADMTZUZUWRSDY-AMRJIULGSA-N 265.356 3.832 30 20 CHED C#Cc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 834904393 XUOKJFMSPRBFNQ-IBGZPJMESA-N 277.367 3.541 30 20 CHED C=CCNC(=S)N1CCCCC[C@H]1c1ccccc1 918726200 KYQBBAZJQUBFKL-HNNXBMFYSA-N 274.433 3.664 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)c(C)c1)CO2 915987124 TWRJNKRMJWJHLJ-OQLLNIDSSA-N 294.350 3.971 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2)cc1F 917563420 QUDUTTIJQXEFOD-UHFFFAOYSA-N 276.286 3.810 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)cc2C)cc1C#N 741841493 LRSOZUBOWQNUJI-CLTKARDFSA-N 295.313 3.911 30 20 CHED O=C1/C(=C\c2cn3cc(Cl)ccc3n2)Oc2ccccc21 742435953 FKWZZEXILNZAIT-VGOFMYFVSA-N 296.713 3.604 30 20 CHED CCCCCC[C@@H](C)C(=O)N(CCC#N)CC(F)(F)F 748805090 YCWKJMXGPRSKDP-GFCCVEGCSA-N 292.345 3.897 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Oc1cccc(OCC#N)c1 841344526 XUNHGDFSSXXLPC-CJNGLKHVSA-N 287.359 3.711 30 20 CHED C=C(Cl)CNc1ccccc1N1CCCCC1 849311122 DHSXBWZCPUAKPO-UHFFFAOYSA-N 250.773 3.841 30 20 CHED C=CC[C@@H](C)NCc1cc(Br)cnc1Cl 842682931 CZMRMIGFFQMDIO-MRVPVSSYSA-N 289.604 3.552 30 20 CHED Cc1ccc(F)c(NC(=O)CC2(C#N)CCCCC2)c1 596681149 IPOXJXDOAJIHJU-UHFFFAOYSA-N 274.339 3.937 30 20 CHED C[C@H](NC1CC2(CCC2)C1)c1ccc(C#N)cc1F 590959768 DLMMPJKSFNRTEA-NSHDSACASA-N 258.340 3.681 30 20 CHED Cc1cc(/C=C2/COc3ccc(C(C)C)cc3C2=O)n(C)n1 841485275 IWMZCWXPMINOCP-ZSOIEALJSA-N 296.370 3.511 30 20 CHED CCC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 594006397 YTPNVQJMHWSSDY-MAUKXSAKSA-N 298.430 3.918 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 845639664 SBQIHLQJMLWRII-NEPJUHHUSA-N 288.347 3.641 30 20 CHED CC(C)C[C@H](C(=O)NC[C@H](C)C#N)c1ccc(Cl)cc1 597201101 LSRHPNIJKUCNQX-DOMZBBRYSA-N 292.810 3.746 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccc(C(=O)O)cc1 747736305 OGUYOUDVCLIWKZ-ZDUSSCGKSA-N 260.337 3.609 30 20 CHED Cc1cc([C@H](C)NCCc2ccc(C#N)cc2)c(C)o1 595055211 AZOZHSJNFWMASS-ZDUSSCGKSA-N 268.360 3.661 30 20 CHED N#Cc1sc(NC(=O)C2CCCCCC2)nc1Cl 841225767 XJUYURAERJMFJL-UHFFFAOYSA-N 283.784 3.577 30 20 CHED COc1ccc(/C=C2\Oc3ccccc3C2=O)c(Cl)c1 742437974 YKVTTZJUXXDTFP-NVNXTCNLSA-N 286.714 3.965 30 20 CHED COCc1csc(/C=C/C(=O)c2cnn(C(C)C)c2)c1 849245772 MPRFOVXMPFKDDP-SNAWJCMRSA-N 290.388 3.568 30 20 CHED CC[C@H](N[C@H](C#N)c1ccccc1)c1c(C)noc1C 595429580 GLENCBSOVVXCAQ-LSDHHAIUSA-N 269.348 3.597 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1CCC(OC)CC1 681993686 SZUOTFIBBIKRIY-UHFFFAOYSA-N 293.451 3.787 30 20 CHED CCC[C@@H](C(=O)OCCCCC#N)c1ccccc1 914623253 FCZSRXVTVPOIEB-OAHLLOKOSA-N 259.349 3.807 30 20 CHED COc1ccc(CNN=C(C)c2ccc(C)c(C)c2)cc1 917547512 UFYKMGPZLLJXCW-UHFFFAOYSA-N 282.387 3.826 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1cccc(SC)n1 842772588 WOKZCDABDFCHDX-AWEZNQCLSA-N 265.378 3.563 30 20 CHED FC(F)(F)c1ccccc1C=NNCc1ccccc1 916344339 SDHFIXSSDWDMNJ-UHFFFAOYSA-N 278.277 3.829 30 20 CHED Cc1nc(C#N)c(NN=C(CC(C)C)c2cccs2)o1 917554810 SSUXSYZEDHQFHM-UHFFFAOYSA-N 288.376 3.779 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1c(C3CC3)cnn1C)CC2 849246592 IVCCYNKLBFAJRL-XNTDXEJSSA-N 292.382 3.818 30 20 CHED C=C(C)CCOC(=O)c1ccccc1SCC 744303699 QRLNTRTUYWUXCS-UHFFFAOYSA-N 250.363 3.922 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(OCCC)c(Cl)c1 749227424 JAAUXBUFDCIXAN-UHFFFAOYSA-N 294.782 3.616 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1N=Cc1ccccc1O 920943086 MWMMGRVVCFPCNF-UHFFFAOYSA-N 270.288 3.668 30 20 CHED CC1(C(=O)Oc2cccc(OCC#N)c2)CCCCCC1 841346180 VEFUYGMNKIEMRP-UHFFFAOYSA-N 287.359 3.855 30 20 CHED N#CC1(CCONC(=N)c2ccccc2F)CCCCC1 842064121 LRMHCCULDYLMGA-UHFFFAOYSA-N 289.354 3.536 30 20 CHED CCCC=Nn1c(S)nnc1-c1ccccc1Cl 755523063 DNWYKGCKVBLPTK-UHFFFAOYSA-N 280.784 3.521 30 20 CHED Cc1cc(F)ccc1/C=C1\Cc2c(O)cccc2C1=O 750906949 SZZTWYSOYGHCOS-XYOKQWHBSA-N 268.287 3.662 30 20 CHED N#Cc1cccc(OC(=O)OCC2CCCCC2)c1 858879424 SHCDRJXEZWGMEH-UHFFFAOYSA-N 259.305 3.654 30 20 CHED C#CC[C@H](NC(=O)N1C[C@H](C)CCC[C@@H]1C)c1ccccc1 757059382 RELDPSWBLOQWNA-RYRKJORJSA-N 298.430 3.971 30 20 CHED C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(C#N)cc1 921107015 FTBMZMWWBDQNAI-ZDUSSCGKSA-N 297.329 3.619 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)C/C(C)=C/c1ccccc1 755279699 LYHNBVNDEQRNJR-VOGRQWBCSA-N 284.403 3.533 30 20 CHED C#CCN(CC)C(=O)N[C@H](c1ccccc1C)C(C)(C)C 751102510 JBWJLJCBWOYOLZ-MRXNPFEDSA-N 286.419 3.747 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)c1ccc(CC#N)cc1 759903651 CJELCVYQUFRYHI-AWEZNQCLSA-N 279.339 3.979 30 20 CHED C#C[C@H](CC)NC(=O)N(C)Cc1ccc(Cl)cc1Cl 753242661 GQKSLDCHEFXEHY-GFCCVEGCSA-N 299.201 3.547 30 20 CHED C=C(C)COCCN[C@H](CCC)c1ncccc1Cl 925533025 XAGCXUQNMNGVHN-CQSZACIVSA-N 282.815 3.759 30 20 CHED CCC[C@H](C#N)NC(=O)/C(C)=C\c1cccc(Cl)c1 758949241 NRSGFHNXXHSQKP-KOTGUFOOSA-N 276.767 3.552 30 20 CHED CN(CCc1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 851772601 BQERCJSJYHXHQR-HXUWFJFHSA-N 290.410 3.590 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1ccccc1OC 682374750 BSBPRRRYLYAWHU-GOSISDBHSA-N 289.419 3.691 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccnc(C(F)(F)F)c2)C1 855436907 NOVYCIITUSJTPR-LLVKDONJSA-N 298.308 3.529 30 20 CHED C#Cc1cccnc1N[C@H]1CCCc2sccc21 853482492 WXOVPGUKQJVYQB-ZDUSSCGKSA-N 254.358 3.614 30 20 CHED C[C@@H]1CCCCN1N=Cc1ccc(OCC(F)F)cc1 853381056 WCQVHWLTRNIPPG-GFCCVEGCSA-N 282.334 3.539 30 20 CHED CC(=NNc1cccc(F)c1)c1cc(F)cc(F)c1 755891206 YWZZADZNWCNUER-UHFFFAOYSA-N 264.250 3.940 30 20 CHED C=CCN(C(=O)N[C@H]1CCCOc2ccccc21)C(C)C 750336022 XOWIHWIRPRIFRO-HNNXBMFYSA-N 288.391 3.506 30 20 CHED CCCCCCCNC(=O)N1[C@H]2CCC[C@H]1CC2 858110821 JZERHTZMIYCDCK-KBPBESRZSA-N 252.402 3.683 30 20 CHED C=CCC1(C(=O)O[C@@H]2CCN(c3ccccc3)C2)CCC1 851189246 MMYXNURHHYNKMS-MRXNPFEDSA-N 285.387 3.555 30 20 CHED CCS[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)C(C)C 851210227 OYHYUGRRCMTOEE-VXGBXAGGSA-N 271.426 3.636 30 20 CHED CC(=NN=C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnccn1 853315631 VDBVKZJSGHGAKU-NEPJUHHUSA-N 298.312 3.640 30 20 CHED CCC(CC)NN=Cc1cnc(-c2cccs2)s1 751528726 JRCIIZSSMMNHGZ-UHFFFAOYSA-N 279.434 3.984 30 20 CHED N#CCSCCCOC(=O)CC(C1CCC1)C1CCC1 859833058 QJYANCJHFUMJRC-UHFFFAOYSA-N 295.448 3.783 30 20 CHED C#CC[C@@H](NCCCOCc1ccccc1)c1ccccc1 754143689 XMQKJQNATNHLJA-HXUWFJFHSA-N 293.410 3.948 30 20 CHED Cc1ccc(COC(=O)c2ccc(Cl)c(C#N)c2)cc1 754466406 XAFHBZBVLIKRFS-UHFFFAOYSA-N 285.730 3.877 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccccc1 755462806 VDTQIFFEYBVNDF-UHFFFAOYSA-N 270.380 3.701 30 20 CHED CC(=NNc1ncc(Cl)cn1)c1cc(C)c(C)cc1C 857221966 XDYOHCFOXWQDTC-UHFFFAOYSA-N 288.782 3.891 30 20 CHED CC(C)c1nnc(S)n1N=C[C@@H]1CCCC(C)(C)C1 752723141 USVJCLWUSZRMNI-LLVKDONJSA-N 280.441 3.741 30 20 CHED CC(=NNc1ccc(C)nn1)c1cc2ccc(C)cc2o1 754946221 YPVPONJEJINQJB-UHFFFAOYSA-N 280.331 3.676 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)Nc2sccc2C#N)C1 931842858 ODKDRCAWVBNAIA-WDEREUQCSA-N 277.393 3.662 30 20 CHED Cn1cnc2cc(/C=C\C(=O)c3cccs3)ccc21 761202897 ZBMYGGXOITXNPJ-ALCCZGGFSA-N 268.341 3.531 30 20 CHED N#CC1(C(=O)NCCCCCCc2ccccc2)CCC1 862626540 GNEACYIJGQSSIR-UHFFFAOYSA-N 284.403 3.600 30 20 CHED CCC(C#N)(CC)C(=O)OCCCc1ccsc1 860197958 KEMLLHYJCIVUFY-UHFFFAOYSA-N 265.378 3.554 30 20 CHED Fc1ccc(C=NNc2nc3ccccc3[nH]2)c(Cl)c1 767748486 GYPRVKZUFCKAGC-UHFFFAOYSA-N 288.713 3.801 30 20 CHED CCON=Cc1c(OC(F)F)ccc2ccccc12 767460438 BCKGCLWLDYRECQ-UHFFFAOYSA-N 265.259 3.812 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(NC(=O)OC)c1C 935790008 ONMKSLXJZFGQOS-LBPRGKRZSA-N 290.363 3.714 30 20 CHED CCc1ccc(/C=C2/CCc3scnc3C2=O)s1 863196743 UBMNVUODRCJNOH-CLFYSBASSA-N 275.398 3.980 30 20 CHED CCc1noc(C)c1C(C)=NNc1cc(C)cc(C)c1 769796917 NJPHUGGWZBZBCX-UHFFFAOYSA-N 271.364 3.998 30 20 CHED Cc1cc(OC(=O)CCCc2cccs2)ccc1C#N 765096423 XRBCXIAUKMNUHE-UHFFFAOYSA-N 285.368 3.857 30 20 CHED CCc1csc([C@H](C)Nc2snc(Cl)c2C#N)n1 865898264 OQEMHFFOQNUIOU-LURJTMIESA-N 298.824 3.860 30 20 CHED CCCCCCCC(=O)N1CCC(SC)CC1 869649370 YKNGSJZBIVJZFF-UHFFFAOYSA-N 257.443 3.701 30 20 CHED Clc1ccc(NN=C2CCN3CCC[C@H]23)cc1Cl 765572975 QOPODCBIBNPRFP-CYBMUJFWSA-N 284.190 3.629 30 20 CHED N#Cc1ccc(OC(=O)/C=C/Sc2ccccc2)c(F)c1 769740180 KKSBPLDYOQPCLK-CMDGGOBGSA-N 299.326 3.909 30 20 CHED Cc1ccc(NN=C2CCS[C@@H]2C)cc1Cl 1117739733 MJBULLNCSPPCCS-SECBINFHSA-N 254.786 3.942 30 20 CHED C#CCCCN1CCC[C@@H](c2nc3ccccc3s2)C1 766905413 GNHVMNQHBPMISK-CQSZACIVSA-N 284.428 3.889 30 20 CHED CC1CC(C#N)(C(=O)OCC[C@H]2CCC[C@@H](C)C2)C1 767425298 QYFYKFRJBVSMRO-ILTLLKDXSA-N 263.381 3.686 30 20 CHED C=CCN(C(=O)NCc1c(C)oc2ccccc12)C(C)C 768523727 GIYPDVSNHJMJPC-UHFFFAOYSA-N 286.375 3.847 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1ccccc1Cl 769601672 IOCZCKIWCUYNFC-CMDGGOBGSA-N 282.730 3.884 30 20 CHED CC1(C)CC(=NOCC(F)(F)F)c2ccccc2O1 764843974 DOLNYBVQYCSOKD-UHFFFAOYSA-N 273.254 3.531 30 20 CHED CCCCN(Cc1ccccc1O)CC1(CC#N)CC1 878565216 HAONLYXYCDMHPZ-UHFFFAOYSA-N 272.392 3.688 30 20 CHED C#CCN(C[C@H](C)CCC#N)[C@H]1CCc2ccccc21 876513651 OQTGHFJIRWQVGY-QAPCUYQASA-N 266.388 3.549 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)ccc1F 770570665 IUYCCXNLXYWOHW-GORDUTHDSA-N 293.297 3.528 30 20 CHED C[C@@H](CCOCc1ccccc1)NCC(C)(C)CC#N 877582758 HDPSEPGMYKYZOY-HNNXBMFYSA-N 274.408 3.511 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1nccnc1Cl 773203692 WCLRCYYGOVGTIG-QWRGUYRKSA-N 264.760 3.520 30 20 CHED COc1ccc(C)cc1CNc1ccccc1O[C@@H](C)C#N 779743636 RUEVKWLEIGQMIS-AWEZNQCLSA-N 296.370 3.907 30 20 CHED CC1CCC(CN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 770393624 ZMEPWWNTYHJFTP-LADRWXRNSA-N 298.430 3.758 30 20 CHED C#CCCOc1ccc(CNc2cc(F)cc(F)c2)cc1 770511573 FYAOGOTZNMAZNV-UHFFFAOYSA-N 287.309 3.979 30 20 CHED O=C(/C=C/c1csc(Br)c1)c1ccncc1 776188097 HVVIJPCSDABFDR-OWOJBTEDSA-N 294.173 3.802 30 20 CHED COc1ccc(C=NOC2CCCC2)c(Cl)c1 774596290 BPQUPJXSMHEPSD-UHFFFAOYSA-N 253.729 3.642 30 20 CHED C[C@H](OC(=O)[C@H](F)Cc1ccccc1)c1ccc(C#N)cc1 778024257 NJOWMKWYUKTMRB-SUMWQHHRSA-N 297.329 3.743 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(C#N)c(C)c2)C1 1560644513 BLXWVYDLZWZPDN-KRWDZBQOSA-N 256.393 3.879 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F 779916821 WINXDMJKMZYBJW-WFASDCNBSA-N 291.341 3.521 30 20 CHED COC[C@@H](C)NN=Cc1ccc(F)c(-c2cccs2)c1 777900642 DTFZCLCQCXGFAR-LLVKDONJSA-N 292.379 3.513 30 20 CHED Cc1ccccc1COC(=O)[C@H](CC#N)c1ccccc1 1127974321 JMVACCHBPRDTCI-QGZVFWFLSA-N 279.339 3.736 30 20 CHED C#CCOc1ccccc1NCc1ccn(C(CC)CC)n1 774375849 UPHJAACNMVESBD-UHFFFAOYSA-N 297.402 3.868 30 20 CHED CC1(CCC(=O)OC[C@@H](C#N)Cc2cccs2)CC1 1122861814 RCXXPGUVHKRJGZ-GFCCVEGCSA-N 277.389 3.554 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1csc(C#N)c1 1129864057 MVAMFKGDWWBZQB-QWHCGFSZSA-N 290.432 3.956 30 20 CHED CCc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)nc1 882721310 CZKJILSCHASUEF-INIZCTEOSA-N 293.370 3.670 30 20 CHED CC[C@H](C#N)OC(=O)c1ccccc1Oc1ccccc1 781156691 XTXRYNOOGRKPRF-CYBMUJFWSA-N 281.311 3.938 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cncs2)c1 787171743 OSNSPIPXEIEITQ-BQYQJAHWSA-N 257.358 3.992 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3cccc(F)c3F)cn2c1 789148488 PXMZDPBZSYEMKW-SREVYHEPSA-N 298.292 3.817 30 20 CHED CS[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 783765579 QVCAKGXGPUHWCL-CQSZACIVSA-N 291.416 3.964 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2cccs2)nc1C 781149800 FCJIETFAMINRNK-LLVKDONJSA-N 286.356 3.578 30 20 CHED C#CC[C@@H](NCc1ccc(F)cc1C)c1ccccc1 784266089 PKIAVOCLEVFBHF-GOSISDBHSA-N 267.347 3.988 30 20 CHED C#CCC1(C(=O)NCc2c(C)cccc2C)CCCCC1 788233943 YDKBVYJVVFKCCY-UHFFFAOYSA-N 283.415 3.893 30 20 CHED C=CCN(C(=O)Nc1cccc2ccn(C)c12)C(C)C 788314410 HLRJSQUDISJUIO-UHFFFAOYSA-N 271.364 3.607 30 20 CHED C=CCCCCCOC(=O)CC1CCSCC1 784158851 PKAZLGVSJFJMSD-UHFFFAOYSA-N 256.411 3.809 30 20 CHED Cc1cscc1C(=O)OCCCC(C)(C)C#N 783997480 HPLMQFVFRHZJPU-UHFFFAOYSA-N 251.351 3.543 30 20 CHED C#CCCCNc1cc(Cl)ccc1O[C@H](C)COC 786777794 WBQNYJZLWBECCA-GFCCVEGCSA-N 281.783 3.579 30 20 CHED C=C(Br)CN[C@@H]1CC[C@@](C)(c2ccccc2)C1 783238851 GQDPKJXPFXUNIC-HUUCEWRRSA-N 294.236 3.995 30 20 CHED CSC1(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CCC1 786442141 KHRBYHISEPGNAT-JTQLQIEISA-N 294.445 3.728 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nsc2ccccc12 892438406 AGDLXKJDUXTMCD-UHFFFAOYSA-N 273.361 3.565 30 20 CHED CC(=NNc1nccnc1Cl)c1csc(Cl)c1 787157556 JHEZAXZKFSFZFG-UHFFFAOYSA-N 287.175 3.681 30 20 CHED Cc1ccc(F)cc1Cn1ccc(-c2ccc(C#N)cc2)n1 783558008 DSBUHOZRUYLDBE-UHFFFAOYSA-N 291.329 3.918 30 20 CHED Cc1ccnc(N2CCC[C@H]2c2ccsc2)c1C#N 273314002 JBGARQWLMMJITA-AWEZNQCLSA-N 269.373 3.665 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCC23CCCC3)c1 788722194 MTYYRNLAWGSDSK-UHFFFAOYSA-N 274.755 3.729 30 20 CHED CSCCON=Cc1cc(Cl)cc(Cl)c1 794573799 KSECXBZJVWNMFU-UHFFFAOYSA-N 264.177 3.707 30 20 CHED C=C1CCC(C(=O)NCc2oc3ccccc3c2OC)CC1 890158768 NKLIKXCYVKHLID-UHFFFAOYSA-N 299.370 3.804 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1cc(C)c(C)o1 799865879 ZPRVPEWHTYUTAQ-UHFFFAOYSA-N 273.292 3.641 30 20 CHED C[C@H](CCNc1ccc(C#N)cn1)c1ccccc1 60394047 PQXPFCOOOHQBHH-CYBMUJFWSA-N 251.333 3.559 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1ccnn1C(C)C)CO2 794942191 KFNXBBUIPXISCB-ZROIWOOFSA-N 296.370 3.740 30 20 CHED c1cnc2c(c1)CCCC2=NNc1ccc2ccccc2n1 799104419 QGCBPLJUTVAZDM-UHFFFAOYSA-N 288.354 3.782 30 20 CHED Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1C#N 799303081 AVORBMIQPNAYFP-BBRMVZONSA-N 270.376 3.517 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@H](CC)c1ccc(C)cc1 791201780 LZRZITXMFDMBCN-RDJZCZTQSA-N 271.404 3.797 30 20 CHED FC(F)(F)CCNN=Cc1ccc(-c2ccccc2)o1 794552155 LDMAJMMOGZIELU-UHFFFAOYSA-N 282.265 3.823 30 20 CHED c1cc(NN=C2CCCC23CCOCC3)c2ccncc2c1 799879220 USXBLFZEBPBNME-UHFFFAOYSA-N 295.386 3.983 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)c2cccs2)cc1C#N 799335438 CMDALSYMBCYNOX-UHFFFAOYSA-N 298.411 3.636 30 20 CHED CC(C)N(C)c1ccc(N[C@H]2CC[C@H](C#N)C2)cc1F 799721852 YKJCUSKIPNIZMD-STQMWFEESA-N 275.371 3.774 30 20 CHED CCCCCCCCCN1CCN([C@H](C#N)C(C)C)CC1 792264751 CKKONWYVGQGQSW-GOSISDBHSA-N 293.499 3.903 30 20 CHED C=CC[C@H](C(=O)OCc1cncc(F)c1)c1ccccc1 795594203 JKNKSZVMRNIXGA-INIZCTEOSA-N 285.318 3.624 30 20 CHED CC[C@@H](C)NN=C(C)c1cccc(-c2ccncc2)c1 790187603 GKLIYYNIUPBSOP-CYBMUJFWSA-N 267.376 3.861 30 20 CHED CCOc1cccc([C@@H](CC)OC(=O)c2ccc(C#N)o2)c1 796948252 FDCCJFJSEXVZNN-OAHLLOKOSA-N 299.326 3.858 30 20 CHED C#CCCN(C)Cc1ccc(Br)cc1Cl 792408872 CWICKZZLFLUMMA-UHFFFAOYSA-N 286.600 3.558 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)Nc2cc(C#N)c(F)cc2F)C1 1219883377 FWIJKQNSIFCVLP-GXSJLCMTSA-N 293.317 3.537 30 20 CHED CCO[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)C12CCC2 87709352 HMPMKXDZUZDOPR-GJZGRUSLSA-N 290.794 3.971 30 20 CHED N#CCN(Cc1ccnc2ccccc12)C1CCCC1 92347743 STLMDVFITHZRRQ-UHFFFAOYSA-N 265.360 3.503 30 20 CHED N#Cc1cc(F)ccc1CN1CCCc2c(F)cccc21 1167567401 FWKVOLACBXDZJF-UHFFFAOYSA-N 284.309 3.789 30 20 CHED CCCn1c(C)nnc1CSCCCC(C)(C)C#N 1319893712 BCNWRKAYIJPDMN-UHFFFAOYSA-N 280.441 3.560 30 20 CHED C=CC(C)(C)C(=O)NCCc1ccc(OC(C)(C)C)cc1 1328232180 FGJSRSCVGGUIQV-UHFFFAOYSA-N 289.419 3.735 30 20 CHED C#CCOCCN(C)[C@@H](C)c1cc(Cl)ccc1Cl 1323094127 RNMFQPYPNVQQPW-NSHDSACASA-N 286.202 3.636 30 20 CHED CCC[C@@H]1C[C@H](c2nnc(-c3cccc(C#N)c3)o2)CCO1 1326941632 WOTZMERQRBPXFS-HUUCEWRRSA-N 297.358 3.671 30 20 CHED C[C@H](OC(=O)CC#Cc1ccccc1)c1cccc(C#N)c1 1256055067 ZXXBANIIGZKGDS-HNNXBMFYSA-N 289.334 3.604 30 20 CHED C=C(C)CCC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 1337087579 JJWUAGMYAMUMDP-AEFFLSMTSA-N 287.403 3.627 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1ccccc1F 1339281427 ROMXDAWJWPJDOH-OAHLLOKOSA-N 275.367 3.716 30 20 CHED Oc1ccccc1/C=N\C1CCN(c2cccc(F)c2)CC1 1339327721 OSUJVBPPCQLFQA-MOSHPQCFSA-N 298.361 3.619 30 20 CHED CC[C@@H](Nc1ccc(C#N)cn1)c1ccc(F)cc1 1185906941 XKKQPCHXZDMWOG-CQSZACIVSA-N 255.296 3.656 30 20 CHED CC(=C1CCC1)c1nnc(-c2ccc(C#N)cc2)o1 1330101587 VNSKPDHIMUREOW-UHFFFAOYSA-N 251.289 3.566 30 20 CHED C=C(C)CCC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 1337288974 IEBUPQXVEFGBFZ-CTYIDZIISA-N 261.340 3.544 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)CC#Cc1ccccc1 1344887209 YXZIVUZFQWDHCQ-IBGZPJMESA-N 283.415 3.855 30 20 CHED C=C(CC)C(=O)N1CC[C@H]1c1ccc(Br)cc1 1263864268 CUWIAEWWGSQYOK-ZDUSSCGKSA-N 294.192 3.689 30 20 CHED CSc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 1348995700 GVFMJGVKCBQNCS-UHFFFAOYSA-N 286.331 3.672 30 20 CHED CC(C)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 221386238 FWWFHPKYMIAVPV-IRXDYDNUSA-N 256.393 3.863 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N(C)[C@@H](C)C1CC1 1515739671 JZDGBUQFYMSYPM-RYUDHWBXSA-N 294.468 3.513 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CCOC(C)C)c1cccs1 1515590033 QNPCVYKGQIRUKF-DOMZBBRYSA-N 295.404 3.697 30 20 CHED CCCCCCCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 111678704 ZJMFZBJLPCCWPN-UHFFFAOYSA-N 283.299 3.861 30 20 CHED CC(C)(C)CCCC(=O)Nc1nn(C(C)(C)C)cc1C#N 1531924030 FPXJQKCJCRYJSG-UHFFFAOYSA-N 290.411 3.665 30 20 CHED N#Cc1ccccc1Oc1cc(-c2ccccc2)ncn1 1472641610 XRRSJFTXBNPJNR-UHFFFAOYSA-N 273.295 3.808 30 20 CHED CC(C)CC[C@H](NC(=O)N1CCC[C@H](C#N)C1)C(C)(C)C 1477912274 HBQZWUKKYWIZOA-CABCVRRESA-N 293.455 3.782 30 20 CHED CC1CCC(CNC(=O)Nc2ccc(C#N)c(F)c2)CC1 1476708072 ZUDHTPMVBHKRCO-UHFFFAOYSA-N 289.354 3.645 30 20 CHED CC[C@H]1CCCN(CCc2ccc(C#N)cc2)CC1 1473161494 UKFDOXNMCKUSQI-HNNXBMFYSA-N 256.393 3.613 30 20 CHED C[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1F 1544397390 UZCASMPPGOGICN-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C=C[C@@H](C(=O)Nc1cnc(C)nc1C1CC1)c1ccccc1 1548700126 QUTQEPXDLYIUHM-OAHLLOKOSA-N 293.370 3.571 30 20 CHED CCC[C@H](CC)C(=O)Nc1ccc(C#N)cc1Cl 1544261316 KFXLXMBLSSLPNY-NSHDSACASA-N 264.756 3.976 30 20 CHED C=CCNc1nnc(SCc2ccccc2F)s1 5784935 NEQDAARXUUDPDO-UHFFFAOYSA-N 281.381 3.567 30 20 CHED CCc1cccc(N(C)Cc2ccc(CC#N)cc2)c1 1646053910 RYXKRSHMPRHUJG-UHFFFAOYSA-N 264.372 3.951 30 20 CHED CCSCc1cccc(N=c2cc(C)[nH]cc2C#N)c1 1642309850 NTFMSXBAYJZOCB-UHFFFAOYSA-N 283.400 3.680 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)Cc1cc(C#N)ccn1 1657431726 OUARHEBBBFMRJK-LJQANCHMSA-N 293.414 3.715 30 20 CHED C[C@H]1COc2ccccc2N1Cc1ccc(Cl)cc1C#N 1652830608 PPEKEIBZILAUJI-LBPRGKRZSA-N 298.773 3.999 30 20 CHED CC[C@H]1CC[C@H](C)N1c1nc(C(F)(F)F)ccc1C#N 124486791 HXNLKSHIAXNKIB-ONGXEEELSA-N 283.297 3.739 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2ccc(C)c(C)c2)CC1 1776161604 PXVQZNZLGUHMJB-UHFFFAOYSA-N 287.403 3.546 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2C)ccc1C(=O)O 1777289437 HFVHPIYJWNJVJF-NTMALXAHSA-N 296.322 3.598 30 20 CHED C#CCCCCNCc1cc(Cl)c(OCC)c(OC)c1 150730438 LGUVFSGIDJQJCT-UHFFFAOYSA-N 295.810 3.640 30 20 CHED C=CCN(C)C(=O)c1ccc(-c2ccc(OC)cc2)cc1F 161539118 MSBXHBDWVNFFNN-UHFFFAOYSA-N 299.345 3.759 30 20 CHED CC#CCCSc1nnc(C2CC2)n1Cc1ccccc1 155081793 KZGAHNBOPWJBJH-UHFFFAOYSA-N 297.427 3.709 30 20 CHED C=CCCOCCN[C@H](CC)c1ccc(F)cc1F 155622399 YROMWCJJBMZCQM-OAHLLOKOSA-N 269.335 3.598 30 20 CHED C=C(C)COc1cc(-c2nc3ccncc3[nH]2)ccc1OC 154585905 QQTWLYAMVRVNNB-UHFFFAOYSA-N 295.342 3.588 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1OCCCC 156788102 LLOXSJRSPJRCHN-UHFFFAOYSA-N 262.353 3.515 30 20 CHED N#CCCN(Cc1ccc2ncccc2c1)Cc1ccco1 159578608 QYFNVARBOYOLST-UHFFFAOYSA-N 291.354 3.744 30 20 CHED C#CCCCCC(=O)N(C)Cc1c(F)cccc1Cl 271599176 ZLQNMVSWZXNOMM-UHFFFAOYSA-N 281.758 3.631 30 20 CHED C[C@H](N[C@H](C)c1cccc(O)c1)c1ccc(C#N)cc1 36991913 BSDDYYPQBSZWQR-QWHCGFSZSA-N 266.344 3.676 30 20 CHED C=C(C)CN(CC[C@H]1CCCO1)Cc1ccccc1 348237733 XDDKIPCGJAGQJO-QGZVFWFLSA-N 259.393 3.634 30 20 CHED C=CCCN(Cc1nccs1)OCc1ccccc1 187374899 HDGHGTBBDNMAFH-UHFFFAOYSA-N 274.389 3.653 30 20 CHED CC(C)(NCc1ccc(C#N)c(F)c1)c1ccccc1 404145569 OHJYWQMEAWYDCQ-UHFFFAOYSA-N 268.335 3.722 30 20 CHED C[C@H](NC[C@H]1CCCC1(F)F)c1ccc(C#N)cc1 381674288 LKKFNLORUFKJTQ-SMDDNHRTSA-N 264.319 3.644 30 20 CHED CCc1cccc(OCc2ccc(CC#N)cc2)c1 399016379 DNMRFNZLXDXRPH-UHFFFAOYSA-N 251.329 3.894 30 20 CHED C=CCN(C(=O)c1noc2c1CCCCC2)c1ccccc1 6999977 NNSMCIWUBQWCJB-UHFFFAOYSA-N 296.370 3.776 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccs2)cc1[N+](=O)[O-] 7740104 VLCZNZPEVYUAHN-VOTSOKGWSA-N 273.313 3.861 30 20 CHED C=CCCC(=O)N(C)[C@@H](C)c1ccccc1Cl 102226610 TZJQOYFUABSDJA-NSHDSACASA-N 251.757 3.826 30 20 CHED Cc1c([C@H](C)NC(=O)N(C)C[C@@H](C)C#N)oc2ccccc12 56903903 RBUYAVIJOZUTJH-AAEUAGOBSA-N 299.374 3.603 30 20 CHED N#CCCCOC(=O)CSc1ccc2ccccc2c1 58817707 GPVHLPYGZHLGHQ-UHFFFAOYSA-N 285.368 3.779 30 20 CHED CC#CCOC(=O)c1csc(-c2cccc(Cl)c2)n1 174366410 GKAPRNRNRFKNIT-UHFFFAOYSA-N 291.759 3.644 30 20 CHED C#CCCCOC(=O)c1csc(-c2ccccc2F)n1 170710880 ODFRGQAGYMJYJR-UHFFFAOYSA-N 289.331 3.519 30 20 CHED CN(CCCC#N)CCCc1cc(-c2ccccc2)no1 101559047 OMGGVBYOYKTBEI-UHFFFAOYSA-N 283.375 3.510 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3cc(F)ccc3[nH]2)c1 103103145 ZOTRDNCCDSAQJQ-UHFFFAOYSA-N 292.313 3.565 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Cl)ccc1OC(F)F 176415504 NHSPCPNRSBUPTF-MRVPVSSYSA-N 289.709 3.636 30 20 CHED C=CCCCC(=O)O[C@H](c1ccccn1)C(F)(F)F 178801649 VNSABKYUJTYDHB-GFCCVEGCSA-N 273.254 3.585 30 20 CHED C=CCN(CCC)Cc1ccc(OCCC)c(OC)c1 302741370 AXXZJWZGJHGADP-UHFFFAOYSA-N 277.408 3.882 30 20 CHED CCOCc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 301464729 WQFURQAEKYCNQS-UHFFFAOYSA-N 297.314 3.747 30 20 CHED C[C@H](CC#N)NC(=O)c1cccc(Oc2ccccc2)c1 64346263 XZCCIADSNCXETK-CYBMUJFWSA-N 280.327 3.511 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(O[C@H](C)CC)c1 69359441 MBKHFUKYNGRIFC-KGLIPLIRSA-N 291.391 3.784 30 20 CHED N#CCC1(COC(=O)c2ccc(-c3ccccc3)[nH]2)CC1 174751486 DELOAXONJJHBDO-UHFFFAOYSA-N 280.327 3.532 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1c(F)cccc1Cl 175025467 UXNBFNLFMMBRGI-GHMZBOCLSA-N 279.746 3.573 30 20 CHED CCC1(CNC(=O)CC2(C#N)CCCCC2)CCCC1 1435555929 GIDCIAWYQBQSPC-UHFFFAOYSA-N 276.424 3.937 30 20 CHED C[C@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)C[C@@H](C)O1 302444071 RQAGKMNXPLTKPO-PEGIJTEDSA-N 298.308 3.945 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 116850934 FZMLNHKWFMMVHW-MRVPVSSYSA-N 258.148 3.688 30 20 CHED C#CCCCN[C@@H](C)c1ccc(F)c(Br)c1 178053736 SQHAHXSXCHNMBC-JTQLQIEISA-N 284.172 3.652 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1c1cccc(OC)c1 1354419965 XJRVCPGYVDSWED-YOEHRIQHSA-N 287.403 3.961 30 20 CHED CC1CCN(CCCCNc2ccc(F)cc2C#N)CC1 301380120 TXBUCVARAAQVFX-UHFFFAOYSA-N 289.398 3.621 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccc(C#N)c(F)c2)c1F 308136052 ZXLLDUVIKMUGDI-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OCC2CC2)cc1 172105013 DMHHWRZTWZOKLN-LBPRGKRZSA-N 274.364 3.562 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)[C@H](C)c1ccccc1 180558371 SVAITPPKIFXYEX-HOTGVXAUSA-N 294.398 3.871 30 20 CHED CC(C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 120004878 GXAJZZCWBRHPOA-SECBINFHSA-N 278.764 3.782 30 20 CHED C[C@@H]1CCCCN(C(=O)c2cccc(SCC#N)c2)C1 184408470 UYGWKGBMOAGTQE-CYBMUJFWSA-N 288.416 3.564 30 20 CHED N#Cc1ccc(NCCCCCCO)c(C(F)(F)F)c1 123384441 GNBADNBMIPMXDI-UHFFFAOYSA-N 286.297 3.542 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 127482613 ZDJOZFDCSPNHRK-RDTXWAMCSA-N 295.386 3.643 30 20 CHED Cc1ccc(F)c(CNc2ccc(F)cc2OCC#N)c1 181541000 RKIBMPCSMDLSIC-UHFFFAOYSA-N 288.297 3.788 30 20 CHED CC(C)(C)[C@@H]1CCN(c2c(C#N)cnc3ccccc23)C1 128439177 CPXSJVIJUFRFAY-CQSZACIVSA-N 279.387 3.979 30 20 CHED C=CCNC(=O)[C@H](C)SCc1ccc(C(F)F)cc1 185652486 UGMPWADXGRQUGS-JTQLQIEISA-N 285.359 3.548 30 20 CHED CC(C)(C#N)CCSc1nnc(-c2cccs2)o1 123782768 CEXGBIBVWSZNFO-UHFFFAOYSA-N 279.390 3.830 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@H]1CCCc2ccccc21 410827109 JXNFAFSVPCDDMT-CVEARBPZSA-N 284.403 3.647 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 77611338 CJGYQLSGVIYIRS-PBHICJAKSA-N 299.418 3.668 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)CSc1ccc(F)cc1 180466183 OXGCSMNMEHHUAL-GFCCVEGCSA-N 281.396 3.588 30 20 CHED C=CCCCC(=O)NCC1(c2c(F)cccc2F)CCC1 412606738 XKZLOFBKKOHUQX-UHFFFAOYSA-N 293.357 3.859 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1cccc(OC)c1 182653213 HCRFJFWGRLAXHF-ZIAGYGMSSA-N 275.392 3.660 30 20 CHED C[C@@]1(Cc2ccccc2)CCCN1c1ncc(C#N)cc1F 413240651 VMSROCCNJIKQEO-SFHVURJKSA-N 295.361 3.694 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F 189492386 PQUCQOGHHYXWIE-CVEARBPZSA-N 292.423 3.851 30 20 CHED CC(C)c1ncc(CNCc2ccc(C#N)c(F)c2)s1 449732582 CAJGOKYBOHUQMD-UHFFFAOYSA-N 289.379 3.567 30 20 CHED Cc1cccc(F)c1NC(=O)N(C)Cc1ccc(C#N)cc1 184462148 WUSVSGKXJGZFSI-UHFFFAOYSA-N 297.333 3.670 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1c(F)ccc(F)c1F 185768904 QRBZAZRJDUFPKH-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1F 79546060 HMTSHAINFKDZKR-QMMMGPOBSA-N 275.245 3.539 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC(CCc2ccccc2)CC1 505897281 CPEZNLIGKIGAKL-LJQANCHMSA-N 298.430 3.798 30 20 CHED Cc1ccc2c(c1)[C@H](NCC1(C#N)CCC1)[C@H](C)C2 418141092 KNPZZBJIUCNIIV-CZUORRHYSA-N 254.377 3.512 30 20 CHED CCN(Cc1ncc(-c2ccc(C)cc2)o1)C[C@@H](C)C#N 75678130 RVGKJVHGMYSWAM-AWEZNQCLSA-N 283.375 3.632 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)c(OC(F)F)c1 185573185 DPRQQRQJULGFEJ-UHFFFAOYSA-N 281.302 3.729 30 20 CHED COC(=O)c1cc([C@H](C)SCC2(C#N)CCC2)oc1C 419499433 YDBYKHQCCNAWEN-NSHDSACASA-N 293.388 3.863 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1ccc(F)cc1C#N 226125843 VIELXKKNMJIACV-KBPBESRZSA-N 264.369 3.783 30 20 CHED CCSCCCNc1ccc(C#N)c(Cl)c1 135547517 CYJWULKOGJPSOQ-UHFFFAOYSA-N 254.786 3.767 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H]2CC=CCC2)cc1C#N 131011232 UMWWYQQYTOASFU-ZDUSSCGKSA-N 284.359 3.640 30 20 CHED C#CCCCC(=O)Nc1nc2c(C)cc(C)cc2s1 192041614 CBDYYLUBEOHDNH-UHFFFAOYSA-N 272.373 3.655 30 20 CHED O=S(=O)(/N=C(\O)CC1CCCCC1)C1CCCCC1 49502295 MNAKFWWVCKOKAD-UHFFFAOYSA-N 287.425 3.576 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(OC)c(C)c(OC)c1 424853984 WEIRTYGCXPVQFG-UHFFFAOYSA-N 277.364 3.553 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccc(F)c(F)c2)no1 424352863 FANPQZOZELPXMR-UHFFFAOYSA-N 278.302 3.792 30 20 CHED N#Cc1cc2c(nc1NCc1ccccc1F)CCCC2 44298225 RASBKDIKFKOHJS-UHFFFAOYSA-N 281.334 3.583 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)CC#N)c(Cl)c1 424277482 AMYYGCMYGTYONW-NSHDSACASA-N 280.799 3.939 30 20 CHED C=C(C)CCOC(=O)c1cnn([C@@H](C)CC)c1C1CC1 89978986 ZLQRTNWHMWFBRG-LBPRGKRZSA-N 276.380 3.855 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CC(CC)CC)cc1 518152783 ZPDGVKNJOIOVIW-INIZCTEOSA-N 272.392 3.756 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2cc(F)c(F)cc2F)cn1 130043675 AXZWZTLUVZUNOD-ONEGZZNKSA-N 294.276 3.777 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1cccc(C)c1)C(F)(F)F 510445826 QYHRIDBPNZKHKU-KBPBESRZSA-N 287.325 3.515 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2ccc(OCC)cc2C1 191207003 PRORCHRKLJYCAU-SFHVURJKSA-N 287.403 3.572 30 20 CHED CN(C)c1cc(C#N)cc(/C(O)=N/[C@H]2CC23CCCCC3)c1 328994705 FCBGCGRHDWUFMQ-INIZCTEOSA-N 297.402 3.652 30 20 CHED N#Cc1ccc(/C=C/c2cnc(C(F)(F)F)s2)nc1 336426540 DFAFECPGRSPEAM-ONEGZZNKSA-N 281.262 3.599 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2cccc(C#N)c2C)C1 338137466 QNKGJEWTXHKZSH-GOSISDBHSA-N 284.403 3.909 30 20 CHED CC(C)c1nnc(N=C(O)CC[C@@H]2CCCCN2C)s1 330293328 HRVAFDGAGUWXGI-NSHDSACASA-N 296.440 3.514 30 20 CHED C=CCn1c(SCC(=C)C)nnc1-c1ccccc1F 192623295 VQAXGDOLSQDUHC-UHFFFAOYSA-N 289.379 3.938 30 20 CHED Cc1coc(C)c1C(=O)Nc1sc(C)c(C)c1C#N 334224866 YBRWHGCEOMJPMD-UHFFFAOYSA-N 274.345 3.699 30 20 CHED N#Cc1ccc(CNCCCc2cccc(Cl)c2)o1 237775701 RDKCZNUCXLSSDO-UHFFFAOYSA-N 274.751 3.527 30 20 CHED N#Cc1csc(CNc2ccc(F)cc2F)c1 93685159 MBRADAGLGMAMKQ-UHFFFAOYSA-N 250.273 3.510 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)Cc1ccc(Cl)cc1 337752318 JUCCFXHRMQMOCT-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(F)cc1Cl 90883784 ZKDQTGFJBBDDST-NSHDSACASA-N 271.763 3.722 30 20 CHED C=C(C)CNC(=O)C1(c2cccs2)CCCCC1 428107015 MAJPFWQTBNFLMK-UHFFFAOYSA-N 263.406 3.642 30 20 CHED N#Cc1ccc(N[C@@H]2CCCc3ccc(F)cc32)cn1 92976593 AOTUVOANXUTRRM-MRXNPFEDSA-N 267.307 3.582 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCC1)c1ccccc1 424972598 VVBYIUNAYNXAPO-IXDOHACOSA-N 269.388 3.651 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)C1CC1 331880156 PRTFKWHMYKLKRJ-WBMJQRKESA-N 284.403 3.711 30 20 CHED C=C(C)CN(Cc1ccc(C)c(C)c1)Cc1ccc(CO)o1 512181362 PXGYKDACBOUMLG-UHFFFAOYSA-N 299.414 3.967 30 20 CHED Cc1cscc1NC(=O)N1CCC(CCC#N)CC1 335393246 CJWDBFPNHLBGAO-UHFFFAOYSA-N 277.393 3.604 30 20 CHED COc1cccc(-c2noc(-c3cccc(C#N)c3C)n2)c1 511193757 YIAKTDZEEUWSMT-UHFFFAOYSA-N 291.310 3.592 30 20 CHED COc1cc(N/C(O)=N/[C@@H]2CCC[C@@H](C)C2)cc(OC)c1 330393316 HZBJYIQCTUHMJF-VXGBXAGGSA-N 292.379 3.608 30 20 CHED C=CC[C@@H](C)/N=C(/O)c1coc(C2CCCCC2)n1 330436851 NGSKWVVBMOBGJS-LLVKDONJSA-N 262.353 3.992 30 20 CHED C[C@@H]1SCCN(CCCCC(C)(C)C#N)[C@@H]1C 235305968 ZHCHUIORZLBLQB-OLZOCXBDSA-N 254.443 3.532 30 20 CHED CSCC(C)(C)C(=O)Nc1sc(C)c(C)c1C#N 331282427 JHIUZEJSROELEX-UHFFFAOYSA-N 282.434 3.564 30 20 CHED N#C[C@]1(C(=O)Nc2ccc3c(c2)CCCC3)CC12CCCC2 333108870 RRCXAMJLJONLNI-IBGZPJMESA-N 294.398 3.978 30 20 CHED CC#CCCSCc1ccn(-c2ccccc2F)n1 438309502 YKAHADZRDPJUEM-UHFFFAOYSA-N 274.364 3.658 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC1(c3ccccc3)CC1)CC2 336396243 CVNXYMGVACVDEU-GOSISDBHSA-N 274.367 3.824 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)NCCC1=CCCCC1 433112272 IHGUAYGIBBLMFY-SFHVURJKSA-N 296.414 3.766 30 20 CHED COCc1nc(CSCc2ccccc2C#N)cs1 437274062 GWOJYQMQWOIHPK-UHFFFAOYSA-N 290.413 3.595 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)NCCCC#N)CCC2 332663627 DVZPNENHGSLVTR-QGZVFWFLSA-N 299.418 3.790 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1N[C@H](C)c1cccc(C#N)c1 248557271 LJLYVYQHEUXDJF-JLSDUUJJSA-N 286.419 3.803 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(C#N)cs1 245749993 NQJUMCPYCYYTJN-OSAQELSMSA-N 260.406 3.773 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1NCc1cccc(C#N)c1F 342566696 LMACBDDJWUFAJR-UHFFFAOYSA-N 299.305 3.835 30 20 CHED CC(C)(C)c1ccccc1NC(=O)NCC1(CC#N)CC1 431108094 NDJXSNIJILFARL-UHFFFAOYSA-N 285.391 3.799 30 20 CHED CCCN(Cc1ccc(C#N)cc1OC(F)F)C1CC1 343408299 YGXAOAHOOYTTIA-UHFFFAOYSA-N 280.318 3.534 30 20 CHED Cc1csc(NC(=O)N[C@H]2CCCC(F)(F)C2)c1C#N 520603756 ABGXTCBYQSLALS-VIFPVBQESA-N 299.346 3.628 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1c1nc(-c2c[nH]c3ccccc23)no1 347052549 XANUUNNCBPJPIP-SWLSCSKDSA-N 295.342 3.667 30 20 CHED CC#CCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 607727278 WECZKUZYZKMPBS-UHFFFAOYSA-N 268.187 3.981 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc(Cl)cc1 252460080 BMHBDZCNPJTGAH-UHFFFAOYSA-N 275.695 3.694 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1ccc(F)cc1F 602500615 BXBRDLDOGMWFKE-QWRGUYRKSA-N 252.308 3.555 30 20 CHED Cc1ccc2c(C(=O)NCC3(CC#N)CC3)csc2c1 431152290 QCRGNGMEXJHOGY-UHFFFAOYSA-N 284.384 3.633 30 20 CHED Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)c(C)c1 252628422 SPZHPDCPKBHYIR-UHFFFAOYSA-N 270.288 3.668 30 20 CHED CCCc1nc(CSCCCCC(C)(C)C#N)no1 435882370 FAPHDGDDRWDQBL-UHFFFAOYSA-N 281.425 3.975 30 20 CHED CC[C@@H](NC(=O)C(C#N)(CC)CC)c1ccc(OC)cc1 602225774 CTSNODNNOXJUHA-OAHLLOKOSA-N 288.391 3.592 30 20 CHED C[C@@H]1CC[C@@H](Nc2c(C#N)nnc3ccccc23)C[C@H]1C 251989702 ZGALWLXONWBILC-JHJVBQTASA-N 280.375 3.738 30 20 CHED Cc1c(Cl)c[nH]c(=NCc2coc3ccccc23)c1C#N 343432863 IREQKOMFUAOBJI-UHFFFAOYSA-N 297.745 3.695 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2cc[nH]c2c1 182632858 RWVJTOBTCQUJJY-GFCCVEGCSA-N 256.349 3.643 30 20 CHED N#CCc1ccccc1NC(=O)c1cccc2cnccc12 344340423 WGZVUNLELCLXGI-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CC1(C)CN(c2ncccc2C#N)[C@@H]1c1ccccc1 609586344 QNJXXYSAWOWHNQ-OAHLLOKOSA-N 263.344 3.541 30 20 CHED CSc1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1 602485847 WBVXCHGRIZHZQE-CYBMUJFWSA-N 290.432 3.919 30 20 CHED Cc1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1F 602506322 NQMPFJIXFCPVDZ-CYBMUJFWSA-N 276.355 3.645 30 20 CHED C=CCCOCCCCC(=O)N1c2ccccc2C[C@H]1C 342582490 HCQFEFJBQKZFGY-OAHLLOKOSA-N 287.403 3.727 30 20 CHED CN1CCCc2cc(N=Cc3ccccc3O)ccc21 255153673 IETPCWJNCIRHMN-UHFFFAOYSA-N 266.344 3.525 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 357794055 NRRFUMDBPDMDEX-KBPBESRZSA-N 293.370 3.958 30 20 CHED CC(C)[C@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 530879570 FVVUPVANYKCITH-KBPBESRZSA-N 262.422 3.924 30 20 CHED C=CC(C)(C)C(=O)NCCCSc1ccc(F)cc1 448577481 CKOYDEPZAJPABZ-UHFFFAOYSA-N 281.396 3.636 30 20 CHED C=CCCC[C@H](C)NC(=O)NC(C)(C)c1c(C)noc1C 354995548 NQVJCXLVXPURAD-NSHDSACASA-N 293.411 3.571 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(C)c(Cl)c(C)c1 442492827 LYEAQGFXYATPRN-SNVBAGLBSA-N 252.745 3.653 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1ccc(Oc2ccccc2)o1 449519840 NYKISJMZKQFJEC-CVEARBPZSA-N 285.343 3.505 30 20 CHED C=CCCOCCNc1ncnc2sc3ccccc3c12 440657877 BKCQQXTXHDXFAN-UHFFFAOYSA-N 299.399 3.849 30 20 CHED CSc1ccc(C)c(NC(=O)C2(C#N)CC(C)C2)c1 537254463 MWHMHGPZSUTKMU-UHFFFAOYSA-N 274.389 3.595 30 20 CHED C=C(C)[C@H](CC(=O)NC1CCC(C(C)C)CC1)OCC 534405328 LCKYXXBIUOFFIF-GPANFISMSA-N 281.440 3.689 30 20 CHED C=CCC1(C(=O)NCc2nc3ccccc3[nH]2)CCCCC1 448595529 ILVMONGJXXYXIG-UHFFFAOYSA-N 297.402 3.706 30 20 CHED C=CC(C)(C)CNC1CCC(C(=O)OC(C)(C)C)CC1 449486677 UMOCHEDPRWFKSU-UHFFFAOYSA-N 281.440 3.689 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(Oc2ccccc2)o1 530654048 GWXWURGVAMQUGP-UHFFFAOYSA-N 298.342 3.836 30 20 CHED CCCC[C@@H](C)C(=O)NCc1ccc(C#N)c(Cl)c1 619765556 NTBVFFKASPBVDF-LLVKDONJSA-N 278.783 3.654 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1cccc(Cl)c1 539608474 MSXKKDHFTXLIPH-AWEZNQCLSA-N 280.799 3.536 30 20 CHED Cc1ccc2c(c1)N(C[C@@H](C)CCC#N)C[C@H](C)O2 619568572 AJFLUSCDDMCJGF-KBPBESRZSA-N 258.365 3.522 30 20 CHED COCc1ccc(SCc2cccc(C#N)c2)cc1 610480440 HTWGQCUXOLADNH-UHFFFAOYSA-N 269.369 3.997 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 537858786 SLCMDOORXDWFCL-BLLLJJGKSA-N 292.810 3.717 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCC[C@@H]1CCCCO1 612830350 BPPRLJZBAXSQNC-PKOBYXMFSA-N 298.430 3.875 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@@H](CC(C)(C)C)C1 457043997 HFCXKHPWYLKDOZ-AWEZNQCLSA-N 284.403 3.765 30 20 CHED COc1ccsc1CNCc1ccc(C#N)c(Cl)c1 619748296 GYVYYVLYMTXXSE-UHFFFAOYSA-N 292.791 3.572 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@H]1C(C)C 362956241 XCYJNTFMEGGCTF-AWEZNQCLSA-N 275.417 3.835 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2ccc(C(F)(F)F)cc2)C1 619671932 VQEXMTRLCSXVNQ-OCCSQVGLSA-N 282.309 3.530 30 20 CHED C=CCn1c(SC[C@@H]2CCCC2(F)F)nnc1C1CC1 450650653 NLWMKMSPNDPDEB-NSHDSACASA-N 299.390 3.869 30 20 CHED CCN(C(=O)C[C@H]1C[C@@H]1C)c1ccc(C#N)c(Cl)c1 361960490 BDWVECRHBWOATD-CMPLNLGQSA-N 276.767 3.611 30 20 CHED C=CCC(C)(C)CNC(=O)N(C1CC1)[C@H](C)C(C)C 458810686 NHQPKKKIULYTGW-CYBMUJFWSA-N 266.429 3.807 30 20 CHED C[C@@H](NC(=O)N[C@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 615475104 OHCUYOIYNVSZLK-CJNGLKHVSA-N 299.418 3.887 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCCCC1(F)F 454809775 MTVXYGPUXPZUQQ-CHWSQXEVSA-N 288.382 3.856 30 20 CHED C#CC[C@H](N[C@@H](C)c1cnn(C(C)C)c1)c1ccccc1 271537264 QKZDJDKUOSYRHO-YJBOKZPZSA-N 281.403 3.879 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(C)cc(F)c1 540481126 UPWDVLTZRFKDBC-UHFFFAOYSA-N 279.355 3.836 30 20 CHED N#CCCCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 360365853 QMYRHFRSDZMYHY-OAHLLOKOSA-N 292.329 3.712 30 20 CHED C=C(CC)CNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 456829614 OWFUDGXSWRWXEU-KBPBESRZSA-N 297.320 3.891 30 20 CHED C=CCC[C@@H](CC)N1CCC(OCCOC(C)C)CC1 453362196 NOUTVBQIRQFYIH-MRXNPFEDSA-N 283.456 3.637 30 20 CHED CCc1nc(C(C)C)ccc1CN(C)CC(C)(C)C#N 549748044 LKQWFZLTWKCTCH-UHFFFAOYSA-N 273.424 3.749 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(C)nn(C)c3c2)CC1 360832337 JFYGNDSQOZEJNL-UHFFFAOYSA-N 283.375 3.567 30 20 CHED C=C(C)CNC(=O)CCC[C@H](C)c1cccc(OC)c1 278678743 HWWHGTQVKRITHS-AWEZNQCLSA-N 275.392 3.661 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@H](c1ccccc1)N(C)C 620857341 XYFHDCGKOAQJHW-MRXNPFEDSA-N 288.435 3.540 30 20 CHED CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1F 274560244 YJYQBQISNVVWAL-GMXABZIVSA-N 264.319 3.698 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](C2CC2)C1 549294297 UFJGELQWDQOYPA-DZGCQCFKSA-N 288.439 3.604 30 20 CHED CC#CCCOc1c(C(C)=O)ccc(Cl)c1Cl 462365712 FJQPDCLIUKIAKW-UHFFFAOYSA-N 271.143 3.988 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1c1ccccc1 466378335 LGRKNVPQGSBLFV-CVEARBPZSA-N 272.392 3.888 30 20 CHED C=C[C@@](C)(CC)C(=O)NC1CCC(C(C)C)CC1 467994236 LMXFKELXZJSABV-XUJLQICISA-N 251.414 3.920 30 20 CHED CC[C@H](CN(C)CC#N)Oc1ccc(Cl)c(Cl)c1 469744705 IJPBCLVWSXGXGG-SNVBAGLBSA-N 287.190 3.606 30 20 CHED CC(=O)[C@@H](C)SCc1cc(C#N)ccc1Br 276861104 GKYDEOHWYGURSK-SECBINFHSA-N 298.205 3.531 30 20 CHED CS[C@@H](CNc1ccc(F)cc1C#N)C(C)(C)C 544062544 MMBTVSJKXINHBH-ZDUSSCGKSA-N 266.385 3.887 30 20 CHED C[C@H](C(=O)N[C@@H](C)C1CCCCC1)c1cccc(C#N)c1 462147165 SMTIDYIZKAHSAL-KBPBESRZSA-N 284.403 3.747 30 20 CHED C[C@H](C(=O)N1CC(C)(C)CC(C)(C)C1)c1cccc(C#N)c1 462487246 DLLNYGSOKJHTHE-AWEZNQCLSA-N 298.430 3.946 30 20 CHED CC[C@H](NCc1cccc(COC)c1)c1ccc(C#N)cc1 278336601 WXYIOFLRLXKTMW-IBGZPJMESA-N 294.398 3.946 30 20 CHED CCCCOCCCNc1c(Cl)cccc1C#N 462917571 VRXUZRGOWHNRFJ-UHFFFAOYSA-N 266.772 3.830 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)c(C)s1 620863564 ZVOJBAATSGVLAA-UHFFFAOYSA-N 251.395 3.840 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2ncsc2c1 466366095 CLSUMROWFCOQJG-JTQLQIEISA-N 275.377 3.773 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H]1C(C)C 460936418 YSHXRDNVODZOAW-AWEZNQCLSA-N 276.428 3.602 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CCC[C@@H]1C 466700598 UCCIMHVYQUALCT-GJZGRUSLSA-N 266.429 3.810 30 20 CHED N#CC1(CCCN2CCC[C@H]2c2ccccc2)CCOCC1 282007323 OATZYCHYNDFBJT-SFHVURJKSA-N 298.430 3.924 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1CCC(F)(F)C1)c1ccccc1 280428957 BBGAKAZFDAGGEF-UKRRQHHQSA-N 293.357 3.898 30 20 CHED C=CCOCCN1CCC(c2ccc(F)cc2C)CC1 550105318 XTBQYBFLEBFKGH-UHFFFAOYSA-N 277.383 3.516 30 20 CHED C=CCC(CC=C)C(=O)NCCCn1ccc2ccccc21 467733250 VGVDQOVFEUXLEP-UHFFFAOYSA-N 296.414 3.916 30 20 CHED C[C@@H](c1ccc(Br)cc1)N(C)CC(C)(C)C#N 552316882 QMHVDHGIYKDNSK-NSHDSACASA-N 295.224 3.992 30 20 CHED C=CCCCCN[C@H]1CCN(C)[C@@H](c2ccccc2)C1 551174893 HPMCYYFRWSKRNQ-ZWKOTPCHSA-N 272.436 3.768 30 20 CHED N#CCCCC(=O)Nc1cccc(SC(F)F)c1 291807038 ZHQVTLHHWKFEII-UHFFFAOYSA-N 270.304 3.634 30 20 CHED C#C[C@@H](NC(=O)CSc1ccc(C)cc1C)C(C)(C)C 807882737 YYKIEGGNEWQVDR-OAHLLOKOSA-N 289.444 3.560 30 20 CHED C=CCC(C)(C)CNCc1cc(OC)c(OC)cc1C 559310974 CSYLCVSLCQTLNV-UHFFFAOYSA-N 277.408 3.704 30 20 CHED C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccsc1 800790075 BEKDMYGOKVTGQO-DUJAKZANSA-N 276.317 3.542 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CC(C)(C)C1CCCCC1 475121709 RTRQFGHNMOQQMB-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED COCC[C@@H](NCCC#N)c1ccc(Cl)c(Cl)c1 298424700 GARRYXKKQVMANZ-CYBMUJFWSA-N 287.190 3.574 30 20 CHED C=C(C)[C@@H](N[C@H]1CCn2ccnc21)c1ccc(F)c(F)c1 296487990 PNCCAPFWJPDCRI-LSDHHAIUSA-N 289.329 3.513 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)[C@]1(C#N)CC12CCCC2 297624556 HOWXDAGWOBEWLR-AUUYWEPGSA-N 294.398 3.606 30 20 CHED C=CCOCCCN1CCC[C@@H]1c1ccc(C)cc1 470727727 WCHCWJWHWJNLEL-QGZVFWFLSA-N 259.393 3.725 30 20 CHED Cc1csc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1C#N 567286814 YCIUPUFDKLGRBK-AAEUAGOBSA-N 289.404 3.725 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1[C@@H]1CC[C@H](C#N)C1 293218240 VJWKYXVZNCIANR-YQFWSFKMSA-N 254.377 3.557 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C)c(-c2ncco2)c1 294820749 CTGOMZQODWAOOJ-UHFFFAOYSA-N 270.332 3.801 30 20 CHED CC1(C)[C@@H](C(F)(F)F)CCN1CC#Cc1ccc(F)cc1 470013267 WFQVBNMTWSKJGE-AWEZNQCLSA-N 299.311 3.840 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)C(F)(F)F)CCCC1(C)C 470304349 VOOHZXODFDBSCO-MNOVXSKESA-N 277.330 3.778 30 20 CHED C#Cc1ccc(CNCc2nccc3ccccc23)cc1 809614042 IFHGTNRVXNBEQR-UHFFFAOYSA-N 272.351 3.506 30 20 CHED CC#CC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 801160650 LMGCCEZTUQMOJU-CQSZACIVSA-N 277.795 3.957 30 20 CHED C#C[C@H](NC(=O)c1cc2ccccc2cc1OC)C(C)(C)C 807882104 WDZAXWWDTLXBEN-KRWDZBQOSA-N 295.382 3.626 30 20 CHED C#Cc1cncc(C(=O)N(C)CCCCCCCCC)c1 806546037 IFDZKFOPAUGYJY-UHFFFAOYSA-N 286.419 3.886 30 20 CHED C=C(C)[C@@H](CC(=O)NC(C)(C)c1ccccc1F)OCC 293886361 FZMDNNAZMANNIN-OAHLLOKOSA-N 293.382 3.548 30 20 CHED C=CCC[C@H](O)CN(CC)[C@H](C)c1ccc(F)cc1 472756730 WCZPNZIAHPFHEG-CJNGLKHVSA-N 265.372 3.536 30 20 CHED CCC[C@@H](CC)SC[C@H](O)COc1ccc(C#N)cc1 477056210 KFKFWHUHBUKNHF-GDBMZVCRSA-N 293.432 3.610 30 20 CHED C=C[C@@H](CC(=O)N=c1cccc(SC)[nH]1)c1ccccc1 561640843 BWSXWTIVPLHHKU-ZDUSSCGKSA-N 298.411 3.524 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)C(C)(C)C 808482080 JHALIVFDPJYGQB-LBPRGKRZSA-N 298.308 3.875 30 20 CHED Cc1csc(NC(=O)C[C@@H]2C=CCCC2)c1C#N 567275165 YUCRDBYTQTXNLN-LLVKDONJSA-N 260.362 3.613 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)CCCC#N)cc1 813069107 ZFFIQLRLZXJPFR-HOTGVXAUSA-N 271.360 3.868 30 20 CHED Cc1c(C(=O)OCc2cccc(C#N)c2)ccn1C(C)C 815316249 MTSAXSPDTRCEPA-UHFFFAOYSA-N 282.343 3.606 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@@H]4CCC[C@H]4C3)c2c1 488128460 RVDARICUUHILRL-KBPBESRZSA-N 277.371 3.651 30 20 CHED C=C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cn1 486462522 DIHRJFJHNXNMDH-LLVKDONJSA-N 256.271 3.645 30 20 CHED C[C@@H](OC(=O)CCCC#N)c1ccc(F)c(Cl)c1 812617118 DDUDOMJZQLEFCP-SECBINFHSA-N 269.703 3.777 30 20 CHED CC(C)(CC(=O)[C@@H](C#N)c1nc2ccccc2o1)C1CC1 815915000 ADWNFKGQPBNPRM-GFCCVEGCSA-N 282.343 3.830 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@H]1CCC[C@H](C)C1 482736353 OKEYTPMZGWARIM-GJZGRUSLSA-N 287.403 3.902 30 20 CHED C=CCCCC(=O)N(C[C@H]1CCCO1)C1CCC(C)CC1 480901279 PWMBSIXFWYYLKK-OFLPRAFFSA-N 293.451 3.929 30 20 CHED C=C(Br)CN1CCC[C@@H](CC(F)(F)F)C1 817282324 ZPZVCACBBGULSF-VIFPVBQESA-N 286.135 3.559 30 20 CHED Fc1ccc([C@H]2CCCC2=NNC[C@H]2CCSC2)cc1 811660952 WWSCAQPDZQCORP-IUODEOHRSA-N 292.423 3.792 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(C)ccc1C 815310515 AITCLYPFGDGAIJ-UHFFFAOYSA-N 254.276 3.558 30 20 CHED C#CCC1(OC(=O)c2ccc3cc(C)ccc3n2)CCC1 816053296 AHSWMLLBMXZJDY-UHFFFAOYSA-N 279.339 3.646 30 20 CHED C=CC[C@H](Cc1ccccc1)n1cc([C@H](N)C(C)(C)C)nn1 656457833 RRACXTAQZJZHSN-WBVHZDCISA-N 298.434 3.684 30 20 CHED Fc1ccc2nc(C=NOCCC3CC3)sc2c1 814246326 ZXIZVUKGGMGNQM-UHFFFAOYSA-N 264.325 3.586 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(C(C)C)nc1C 815196758 AQXJWTFCTGQCQU-CQSZACIVSA-N 291.391 3.538 30 20 CHED Fc1cc(NN=C2CC[C@@H](c3ccccc3)C2)ccn1 814902874 YCIXZYOJTHLJME-CYBMUJFWSA-N 269.323 3.956 30 20 CHED C=CCCCCS(=O)(=O)Cc1cccc(F)c1Cl 579448570 RJEUYRAYOXCEFP-UHFFFAOYSA-N 290.787 3.750 30 20 CHED Cc1cc(Cl)cc(C#N)c1OC(=O)OC1CCCC1 817155735 RXJLURVDJSVTFQ-UHFFFAOYSA-N 279.723 3.978 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(SCC)cc1 488816394 MTGQOPJJZZTUJN-AWEZNQCLSA-N 275.417 3.979 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1C[C@@H](C)O[C@@H]1C 658037182 UHSIGWVQSKBECQ-SUJAAXHWSA-N 251.414 3.524 30 20 CHED FC(F)C(Cc1ccccc1)=NOCCC1CC1 814246718 CJDUFJRCSZOJJY-UHFFFAOYSA-N 253.292 3.667 30 20 CHED C#CCCCCCC(=O)NCc1ccc(C(C)(F)F)cc1 814421473 JZNYTZQQEAGXFF-UHFFFAOYSA-N 293.357 3.998 30 20 CHED C=CCCCCCCCNC(=O)c1cc(F)c(O)c(F)c1 811590642 BDCSGUNUTUNART-UHFFFAOYSA-N 297.345 3.927 30 20 CHED CC(=NOC1CCCC1)c1nccc2ccccc12 811646827 NJONESDDGIYATD-UHFFFAOYSA-N 254.333 3.918 30 20 CHED C=CCCCCCCCNc1cnnc(O)c1Cl 811848205 USZCSLYLYDSERI-UHFFFAOYSA-N 269.776 3.774 30 20 CHED COc1ccc(C)cc1N[C@H]1CCc2ccc(C#N)cc21 810233459 KWGBUXMNHIOZBQ-INIZCTEOSA-N 278.355 3.975 30 20 CHED N#Cc1c(F)cccc1/C=C1\Oc2c(Cl)cccc2C1=O 811689916 PGEDADVHZYMYOK-AUWJEWJLSA-N 299.688 3.967 30 20 CHED C/C(C=Nn1cnc2ccccc21)=C/c1ccccc1 725849279 CUIVIACFPVETMD-QUVZVDGRSA-N 261.328 3.974 30 20 CHED C=CCCC1(c2nc([C@@H]3CCOc4ccccc43)no2)CC1 579284028 CNSONVCFFVGCEY-CQSZACIVSA-N 296.370 3.982 30 20 CHED C=CCOc1cccc(NC(=O)N2CCCC[C@@H]2C=C)c1 488363494 ZULYKSHFXHDHOM-HNNXBMFYSA-N 286.375 3.824 30 20 CHED Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccc(F)cc1 726876227 LCGKQNFLCAODEH-SREVYHEPSA-N 299.132 3.762 30 20 CHED N#CC1(CNCc2cccc(Oc3ccccc3)c2)CC1 574894191 GUZXLXCMCJVLLQ-UHFFFAOYSA-N 278.355 3.872 30 20 CHED C=CCCC(=O)O[C@@H](C)C(=O)c1cc(C)c(C)cc1C 726652989 ZAVHHSWEXKAFER-AWEZNQCLSA-N 274.360 3.692 30 20 CHED CC(C)C[C@H](C)CC(=O)OCc1ccccc1C#N 727883159 RWJULYJFTGKXLH-ZDUSSCGKSA-N 259.349 3.674 30 20 CHED C=C(CC)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 494462100 ADWUHBBYNKKNGS-LSDHHAIUSA-N 283.774 3.865 30 20 CHED C=C(C)CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490015004 RQZFCNFJBXDHKZ-CYBMUJFWSA-N 276.449 3.777 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@@H](C)C(C)(C)C)c1 726454881 FAQODQZIEYRGFZ-LBPRGKRZSA-N 274.433 3.731 30 20 CHED C=CCCNC(=O)Nc1ccc2nc(C3CC3)sc2c1 665892321 HZMKGRMDGXSGNG-UHFFFAOYSA-N 287.388 3.871 30 20 CHED COc1ccc([C@@H](CCC#N)NCCCC2CC2)cc1 581111507 HFOCOJMJOMLPES-QGZVFWFLSA-N 272.392 3.820 30 20 CHED CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C#CC(C)C)o1 829252120 ABWFOVHIGPHUIS-HOCLYGCPSA-N 287.403 3.801 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCc2cscc2C)C1 661075288 NMAKUBKZULKAPL-CYBMUJFWSA-N 278.421 3.554 30 20 CHED CC[C@H](C)[C@@H](C)NCc1cc(C#N)ccc1Br 491598435 GSPZRBYOOHXIND-WDEREUQCSA-N 295.224 3.845 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C\c1ccsc1 492091998 VYNMRWGQJNNOTC-PLNGDYQASA-N 268.341 3.580 30 20 CHED C=CC[C@H](C)NC(=O)CCCc1ccc(SC)cc1 580078316 YISFHQDDYYMDII-ZDUSSCGKSA-N 277.433 3.812 30 20 CHED CCCCCCCC(=O)NC[C@H](c1cccs1)N(C)C 821315645 OHHAVGHFDKLIDY-CQSZACIVSA-N 296.480 3.828 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ncoc1C(C)C 731983106 SPXHOICYTFYZMQ-UHFFFAOYSA-N 298.386 3.669 30 20 CHED Fc1ccc(NN=Cc2cccc3ccccc23)nc1 731319017 QUKUNGRWPHJIPG-UHFFFAOYSA-N 265.291 3.820 30 20 CHED Cc1ccc(/C=C2\COc3ccccc3C2=O)cc1F 731488235 ADVBLCDORBGUKS-MDWZMJQESA-N 268.287 3.793 30 20 CHED CC(C)N(C/C=C/c1ccncc1)Cc1ccc(C#N)cc1 494923721 RJIKGRHUDCEXOF-ONEGZZNKSA-N 291.398 3.877 30 20 CHED CC(C)CCOC1CCN(C(=O)CCCCCC#N)CC1 588297641 LNQFTRCYAPDYLD-UHFFFAOYSA-N 294.439 3.514 30 20 CHED C#CCOc1ccc(N=Cc2cc(OCC)ccc2O)cc1 730951722 OPPGKPPNSBPQTK-UHFFFAOYSA-N 295.338 3.554 30 20 CHED CCC(CC)NN=Cc1ccccc1OC(F)(F)F 734365227 VBLWVLFGMSXYNU-UHFFFAOYSA-N 274.286 3.697 30 20 CHED Cc1ccc(CC(=O)N[C@](C)(C#N)C(C)(C)C)cc1Cl 904181494 PKIGEFSVWPZLLN-MRXNPFEDSA-N 292.810 3.636 30 20 CHED C[C@@H](C[C@@H]1CCOC1)Nc1ccc(C#N)c(C(F)(F)F)c1 589584789 OSRDKQCDHUTKDG-QWRGUYRKSA-N 298.308 3.804 30 20 CHED Cc1cccc(/C=C\C(=O)c2cnn(C(C)C)c2C)c1 588559863 RHYDUYVVEPTFQK-HJWRWDBZSA-N 268.360 3.977 30 20 CHED C=C(Br)CN(CCc1cccc(F)c1)C1CC1 733841679 HSUMTPUDKVJKGG-UHFFFAOYSA-N 298.199 3.741 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCOC(C)(C)C1 837218105 JSWSMTNIISFQNE-CQSZACIVSA-N 269.429 3.668 30 20 CHED C[C@H](N=c1ccc(C#N)c[nH]1)c1ccc(F)c2ccccc12 583833959 LNDMOOGVMBMMNH-LBPRGKRZSA-N 291.329 3.841 30 20 CHED CCc1cccc(CNc2ncccc2OCCCC#N)c1 583385138 ULEMTJZYLYMANF-UHFFFAOYSA-N 295.386 3.939 30 20 CHED C#CCCCCNC(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 838514545 QVQANORRWURJRX-MSOLQXFVSA-N 298.430 3.768 30 20 CHED CC(C)CC[C@@H]1CCC(=NNCC(F)(F)F)C1 834970431 WHBIAQSLTMFCAG-SNVBAGLBSA-N 250.308 3.731 30 20 CHED C#CCC[C@H](C)OC(=O)c1cnc(-c2ccccc2)s1 839033914 JISORAZHLZWWPR-LBPRGKRZSA-N 285.368 3.769 30 20 CHED C=CCC1(C(=O)OCc2scnc2C)CCCC1 835131539 PKBRMZJLJBGZIF-UHFFFAOYSA-N 265.378 3.631 30 20 CHED Cc1ccc(C2(C(=O)OCCCCC#N)CCC2)cc1 830333991 SHPLPLDZQVDHQL-UHFFFAOYSA-N 271.360 3.654 30 20 CHED C=CC(C)(C)CNC(=O)N(CCc1ccccc1)C1CC1 838664132 AAPPDGJITULYPR-UHFFFAOYSA-N 286.419 3.615 30 20 CHED C=C(CNC(=O)N(C)Cc1ccccc1)c1ccccc1 672423567 DNKPQDRXBDBFKX-UHFFFAOYSA-N 280.371 3.541 30 20 CHED C[C@H]1C[C@H]1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739594824 RMSBKPXHGXFHCN-XHDPSFHLSA-N 296.395 3.559 30 20 CHED CC[C@@H](C)C(C)=NNc1oc(C(C)(C)C)nc1C#N 746497796 LYTJRXQUWBHPPX-SECBINFHSA-N 262.357 3.678 30 20 CHED CCOc1ccc(/C=N\[C@H](C)c2ccc(OC)cc2)c(O)c1 745624341 JTQHDUCYQOTYGH-CQLSMYGBSA-N 299.370 3.980 30 20 CHED CC[C@H](C/N=C/c1ccccc1O)Oc1ccccc1F 749008571 XWJACGJRLBYDOZ-HIPSJFSSSA-N 287.334 3.808 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 594038292 MOBKJDNOQSGCDP-CVEARBPZSA-N 298.430 3.988 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cnc2ccccc2n1 743451059 YUIJGITZSRLXEC-CQSZACIVSA-N 284.407 3.912 30 20 CHED Cc1cc(C=NNCc2ccccc2)c(C)n1C1CC1 916343790 HJCPHVOBZPSMCT-UHFFFAOYSA-N 267.376 3.564 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cncnc1C 848402683 GITZEWBFNVNGIZ-CYBMUJFWSA-N 296.418 3.983 30 20 CHED CC[C@H](C)CN(CC)Cn1ccc(-c2ccc(C#N)cc2)n1 748263576 WIKIKKRUTYOSLB-HNNXBMFYSA-N 296.418 3.747 30 20 CHED C[C@@H](C#N)c1ccc(-c2cc(C(F)(F)F)nn2C)cc1 592989430 WPAQINOZRPPNIS-VIFPVBQESA-N 279.265 3.733 30 20 CHED CC[C@H](CC#N)NCc1ccc(Oc2ccc(F)cc2)nc1 597087204 QZCRUYJKASFSNJ-OAHLLOKOSA-N 299.349 3.795 30 20 CHED CCc1nc2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2s1 592524044 TZNGETHTEUQOPX-MNOVXSKESA-N 271.389 3.963 30 20 CHED CCC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccccn1 742369433 GRWSECDYSZGIHD-MRXNPFEDSA-N 295.386 3.593 30 20 CHED Cc1cc2n[nH]cc2cc1NC(=O)CC1(C#N)CCCCC1 597552910 OPGDYEPQQNRRBN-UHFFFAOYSA-N 296.374 3.674 30 20 CHED CN(C(=O)NCC1(C#N)CC1)C1CC(C)(C)CC(C)(C)C1 596587476 LAZMWHHVWCSXPK-UHFFFAOYSA-N 291.439 3.536 30 20 CHED C=C[C@H](C)NC(=O)N(Cc1ccccc1Cl)CC1CC1 672464083 JZFZWWWKCPZTIW-LBPRGKRZSA-N 292.810 3.836 30 20 CHED C=CCCOCC(=O)O[C@H](C)c1oc2ccccc2c1C 747031638 DZUKXBJCXXLDTL-CYBMUJFWSA-N 288.343 3.938 30 20 CHED C=CCCSCCNC(=O)CC(C)(C)c1ccccc1 597971041 BVLBCXOFMDRPJG-UHFFFAOYSA-N 291.460 3.780 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cccc3ccsc23)C1 593642955 SSPIEBWBFVXHSU-SMDDNHRTSA-N 256.374 3.683 30 20 CHED N#CC1(CC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)CCCCC1 597293812 OORQCPRXBVIXCY-IAGOWNOFSA-N 296.414 3.598 30 20 CHED CC(C)[C@@H](C#N)OC(=O)[C@@H](C)c1ccc(Cl)cc1 845459009 LXGACOSMSKDJQO-GXFFZTMASA-N 265.740 3.535 30 20 CHED C=CCCS[C@H]1CCCN(c2ccc(C)cc2)C1=O 742970421 HTKXPGVMOYKSBF-HNNXBMFYSA-N 275.417 3.800 30 20 CHED N#CCC1(CSCCc2noc3ccccc23)CC1 596368909 AHAMECRSKVXWQE-UHFFFAOYSA-N 272.373 3.797 30 20 CHED Cc1cc(OC(=O)c2sccc2C#N)ccc1Cl 748053216 FFNZNQXQHFJHFK-UHFFFAOYSA-N 277.732 3.801 30 20 CHED C=C(C)CNc1ccc(C(=O)NC(C)(C)CC)cc1 917825457 PBERTRGXHKDHOY-UHFFFAOYSA-N 260.381 3.593 30 20 CHED C=CCOCC(=O)N(c1ccccc1)[C@@H](C)c1ccccc1 591671518 REPKIGVVXNWZDU-INIZCTEOSA-N 295.382 3.983 30 20 CHED CC[C@@H](CCc1ccccc1)NCC1(CC#N)CC1 599045594 ILNXSPHPADPNDR-INIZCTEOSA-N 256.393 3.681 30 20 CHED C#CCCCCCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842941460 PYOZMKLCSCVGAC-CYBMUJFWSA-N 286.400 3.780 30 20 CHED CC(C)CNC(=S)N(CC(C)C)c1ccc(C#N)cc1 745689403 XRQGEQIWLZEDRD-UHFFFAOYSA-N 289.448 3.551 30 20 CHED C[C@@H](C#N)N(C(=O)CC(C)(C)C1CCCCC1)C1CC1 598137912 PEXGKJKWKMZGLH-ZDUSSCGKSA-N 276.424 3.886 30 20 CHED CCC[C@H]1CCCCN1c1nc(C#N)c(Cl)s1 596198888 NAWXNNHASIAGDT-VIFPVBQESA-N 269.801 3.827 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(F)c(C#N)c1 596725086 FMQOFYYJCXAYAG-UHFFFAOYSA-N 275.327 3.564 30 20 CHED C[C@H](C#N)N(C(=O)c1coc2ccc(Cl)cc12)C1CC1 598137255 NAWSENAAIFJBRL-SECBINFHSA-N 288.734 3.603 30 20 CHED CC(C)=CCCC(C)=Nn1c(C)nc2sccc2c1=O 749159011 WUXSUPYVGVSLRH-UHFFFAOYSA-N 289.404 3.737 30 20 CHED C[C@H](NCC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(OCC#N)cc1 848559127 VTCPKPGSXHDFOF-UOVPBQLFSA-N 296.414 3.842 30 20 CHED C=CCCN(C)CCCc1c(F)cccc1Cl 683715642 UUYLIFBKEINLKW-UHFFFAOYSA-N 255.764 3.920 30 20 CHED CC1(C)C(=NNc2c(F)cccc2F)[C@@H]2CCCO[C@H]21 743440804 ZREZGGALEVSYCC-LKFCYVNXSA-N 280.318 3.568 30 20 CHED N#Cc1ccc(/C=C2/Cc3c(F)ccc(F)c3C2=O)s1 749589753 JBDGIOFUMUQWDO-YVMONPNESA-N 287.290 3.720 30 20 CHED C=CCCOCc1nc(Cc2c(C)[nH]c3ccccc23)no1 680736621 PIEHGDMQGTUJOI-UHFFFAOYSA-N 297.358 3.543 30 20 CHED C#CCOc1ccc(-c2nc3cc(C)ccc3n2C)cc1 921067513 NRPKUBXHDLUQJP-UHFFFAOYSA-N 276.339 3.561 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1ccc(C)cc1C 759007968 PDXJIPNXMISLIR-UHFFFAOYSA-N 286.371 3.798 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccccc2F)c1 920942118 LYAQXPSMQXIAMS-WQRHYEAKSA-N 273.307 3.549 30 20 CHED CCOCC(C)=NNc1cc(Cl)ccc1Cl 751896000 YKYODEVAFNAQER-UHFFFAOYSA-N 261.152 3.818 30 20 CHED CC(C)C#CC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 854935153 JRIKYXKVIMXVKU-ZBFHGGJFSA-N 289.806 3.752 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCCC(F)(F)C1 851203603 CGNIOFPPUNCYRJ-WDEREUQCSA-N 273.323 3.683 30 20 CHED Cc1ccc(C#N)c(Nc2ccc3c(c2)[C@H](O)CCCC3)n1 853812361 GPWIWEPUVJXHLZ-QGZVFWFLSA-N 293.370 3.765 30 20 CHED CSc1cc(C(=O)OCCCC(C)(C)C#N)c(C)o1 850230793 RDVDJKZZJVOCCK-UHFFFAOYSA-N 281.377 3.797 30 20 CHED CC[C@H](C#N)OC(=O)CCc1ccc(C(C)(C)C)cc1 753414466 ZVVCKIDUQGTTKH-OAHLLOKOSA-N 273.376 3.762 30 20 CHED CCN(C)c1ccccc1CN[C@@H](C)CC(C)(C)C#N 924995894 JYJLOZMOAVVVJE-AWEZNQCLSA-N 273.424 3.561 30 20 CHED C=CC[C@@H](NC(=O)CC(CC)CC)c1ccncc1 759218039 IXDQAVOPLDHCNA-OAHLLOKOSA-N 260.381 3.641 30 20 CHED CC(C)(C)C/N=C/c1cc(Br)ccc1O 920173959 HWMJCWYZFFYNQJ-VGOFMYFVSA-N 270.170 3.620 30 20 CHED C=CCN(C(=O)c1ccc(F)c(C(=O)CC)c1)C(C)(C)C 857651258 WOFSMPGJAAWXLM-UHFFFAOYSA-N 291.366 3.845 30 20 CHED Cc1ccsc1/C=C/C(=O)c1cc(F)cc(F)c1O 757476765 RZMVTAKGRIRCKM-NSCUHMNNSA-N 280.295 3.936 30 20 CHED COc1cccc(NN=C[C@@H]2C[C@H]2c2ccccc2)c1 755609277 TXASWTHEZHPFEW-YOEHRIQHSA-N 266.344 3.897 30 20 CHED CC(C)c1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1Cl 928217745 DVZVGFQDXIUCBE-LBPRGKRZSA-N 290.794 3.839 30 20 CHED FC(F)CON=C(CC1CCC1)c1ccccc1 758900611 YHATUNQWKCBWAF-UHFFFAOYSA-N 253.292 3.863 30 20 CHED C#CCCOC(=O)N[C@H](CC)c1ccc(Cl)s1 858983834 IOIFJQSNLCJQJU-SECBINFHSA-N 271.769 3.602 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cc(C)sc1C)OCC 756474627 XTKNGLMJFHOFOH-CQSZACIVSA-N 282.405 3.779 30 20 CHED C[C@@H](C=NNc1ncc(F)cn1)CC1CCCCC1 758128925 MHPWEMCASXYIQW-LLVKDONJSA-N 264.348 3.620 30 20 CHED COc1cc(F)cc(NN=C(C)C2CCCC2)c1 759212806 OMIAJIBBSNNVMY-UHFFFAOYSA-N 250.317 3.812 30 20 CHED C=CC[C@@H](N[C@H](C)c1nc(C)cs1)c1ccncc1 858365493 OIWUFFYSTQISKT-TZMCWYRMSA-N 273.405 3.815 30 20 CHED C=C1CN(C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 930312034 XKYCZIJIJCDDAY-UHFFFAOYSA-N 284.281 3.585 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N[C@](C)(C#N)CCc2ccccc2)C1 753609762 MNIKTTRNHLLXGA-PUTQOBSOSA-N 296.414 3.764 30 20 CHED Cc1cccc2oc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc12 935662835 LPSYICFXEIWULE-MRXNPFEDSA-N 296.370 3.896 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ncc(-c2ccccc2)o1 860194090 QJRQVTWLFQCTSL-UHFFFAOYSA-N 298.342 3.715 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccncc1 761475986 PVKUJSPYYCXACI-HNQUOIGGSA-N 279.126 3.680 30 20 CHED COc1cc(OC(=O)C[C@H]2CCCC[C@H]2C)ccc1C#N 767167443 RYIBJUYRJPIXAP-CHWSQXEVSA-N 287.359 3.689 30 20 CHED CCCCCCCCc1nc([C@@]2(C)CCCO2)no1 763327518 XARLQJMRKYAIBS-OAHLLOKOSA-N 266.385 3.998 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)O[C@@H](C#N)C1CCCCC1 769184246 QRHWJORPAUQOHC-SNPRPXQTSA-N 263.381 3.828 30 20 CHED CC(C)O[C@@H]1CC(=NNc2cc(Cl)ccn2)C1(C)C 764908314 SCFZUGOYLGJYOA-GFCCVEGCSA-N 281.787 3.726 30 20 CHED C#CC[C@@H](NCc1ncc(Cl)s1)c1ccccc1 769920694 XISPWLSEESRLIK-GFCCVEGCSA-N 276.792 3.651 30 20 CHED CC(C)OC1CC(N2CCC(c3ccc(C#N)cc3)CC2)C1 933607517 RGOOGZLPBMUIOT-UHFFFAOYSA-N 298.430 3.694 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(O)cc2)cnc1Cl 760264959 PWATXOPDWTVUIB-UQCOIBPSSA-N 273.719 3.645 30 20 CHED C=CCCC(=O)COC(=O)c1c(C)nc2ccccc2c1C 761361966 XRKMNUNKAPFJHM-UHFFFAOYSA-N 297.354 3.544 30 20 CHED CC(=O)Nc1ccccc1C=NNc1c(C)cccc1F 769842167 ZNLDQQZMTNMJFY-UHFFFAOYSA-N 285.322 3.539 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1ccncn1 760350617 BQPQXIQRWZFLOY-CABCVRRESA-N 285.391 3.649 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(OC(C)(C)C)c2)n(C)n1 865224128 OROMAORRDDIJHO-MDZDMXLPSA-N 298.386 3.802 30 20 CHED C=CCc1ccc(OC(=O)[C@@H](CCC)OCC)c(OC)c1 860458278 MNJVZMLGKBCFRX-OAHLLOKOSA-N 292.375 3.534 30 20 CHED Cc1nc2c(NCc3ccc(C#N)c(F)c3)cccc2o1 864014962 YAHNWUVBBSTKGF-UHFFFAOYSA-N 281.290 3.759 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1ccccc1Cl 769815950 RBOFJXLPHAWBLW-UHFFFAOYSA-N 283.762 3.725 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1cccc2[nH]ccc12 769146165 NUJUIPJOMMFSET-UHFFFAOYSA-N 292.357 3.942 30 20 CHED C#CCN(Cc1cc(-c2ccccc2)ccc1O)C1CC1 764683174 QBNFJJNIOLKIJH-UHFFFAOYSA-N 277.367 3.657 30 20 CHED CCN(CCC1CC1)Cn1ccc(-c2ccc(C#N)cc2)n1 760536103 BIVXFRVDBGPWSZ-UHFFFAOYSA-N 294.402 3.501 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](C)c1ccccc1 779746145 NRCBKNLMISSPCF-HNNXBMFYSA-N 257.377 3.790 30 20 CHED CC(C)c1nccnc1NN=C1CCCC(C)(C)C1 773086943 VRIAQLPHXUCYQF-UHFFFAOYSA-N 260.385 3.968 30 20 CHED C#CCCCCN[C@H](Cc1cccc(C)c1)C1CC1 773035702 IQUFKCCFVIMTEQ-GOSISDBHSA-N 255.405 3.709 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cc(F)ccc1F 785766973 FBEUTHJIEGMXDM-AWEZNQCLSA-N 254.276 3.610 30 20 CHED CCOc1ccc2c(c1)[C@@H](/N=C\c1ccccc1O)CCO2 773909069 ZVAZUEOUSNRLQB-JJBLJPBOSA-N 297.354 3.734 30 20 CHED C[C@H]1CCC[C@H](c2noc(-c3csc(C#N)c3)n2)C1 1117779541 PKNYAMDABVHBNP-UWVGGRQHSA-N 273.361 3.963 30 20 CHED CCCCCC[C@H](C)NN=C(C)[C@H]1CCCOC1 779774907 OOHWKUKXZHQHQZ-ZFWWWQNUSA-N 254.418 3.737 30 20 CHED C=CCc1cc(CN[C@@H](C)C(C)(C)C)cc(OC)c1OC 772955986 UNKVPZKXVCYVGB-ZDUSSCGKSA-N 291.435 3.957 30 20 CHED C=CCOc1cccnc1C(=O)OCc1ccc(CC)cc1 775113715 VLWDFDQLSWHIRR-UHFFFAOYSA-N 297.354 3.566 30 20 CHED COc1ccc([C@H](OC)[C@@H](C)/N=C\c2ccccc2O)cc1 771522028 XBIMRSZMUGRNFO-XKJQEKDHSA-N 299.370 3.596 30 20 CHED C#CC(C)(C)NC(=O)CCCc1cccc(C(F)(F)F)c1 771353107 IJCGJBDCBRTLJS-UHFFFAOYSA-N 297.320 3.556 30 20 CHED CC(Cc1ccc(Cl)cc1)=NN=C(C)c1cnccn1 773203525 PAXKKVRNCXFDRX-UHFFFAOYSA-N 286.766 3.558 30 20 CHED O=C1C/C(=C\c2ccc(Cl)cc2)C(=O)c2ccccc2N1 774146157 RTVNZJDNKLBGDK-FMIVXFBMSA-N 297.741 3.949 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1ccc(CC#N)cc1 776110609 XQOIJICNFNTYJU-ZDUSSCGKSA-N 273.376 3.868 30 20 CHED C#CCOc1cccc(Cl)c1CNCc1cccs1 778150880 HTWJBKBZRMIPCC-UHFFFAOYSA-N 291.803 3.703 30 20 CHED C[C@H](C#N)COC(=O)c1ccc(-c2cccs2)s1 1122640591 HOLZVVMQEZHJCD-SECBINFHSA-N 277.370 3.793 30 20 CHED COc1ccc2oc(/C=C/C(=O)c3cscn3)cc2c1 776192985 OBLCGZPPVQKZAI-DUXPYHPUSA-N 285.324 3.794 30 20 CHED CC[C@H]1CCCCC1=NNc1cnc2ccccc2n1 779773876 OOCGRMPRWPAICE-LBPRGKRZSA-N 268.364 3.998 30 20 CHED CC(C)c1nccnc1NN=C[C@@H]1CCCC[C@H]1C 773085133 FJRFQIWQRPGFEK-OLZOCXBDSA-N 260.385 3.824 30 20 CHED CCc1ccsc1C(=O)O[C@H](C#N)C1CCCCC1 776379743 YFNARKYEIYNYHU-CYBMUJFWSA-N 277.389 3.940 30 20 CHED C#C[C@H](N[C@@H](C)c1ccc(-c2ccccc2)o1)[C@H]1CCCO1 775573416 YHPKLRSQASTTOH-URLQWDBASA-N 295.382 3.778 30 20 CHED Fc1ccc2c(c1)C(=NNc1nc3ccccc3[nH]1)CCC2 776183014 GQWNHNDJXLWEML-UHFFFAOYSA-N 294.333 3.855 30 20 CHED Cc1ccc(F)cc1C=NNc1cc(F)c(F)cc1F 777889927 YIMKBYAETYTHJF-UHFFFAOYSA-N 282.240 3.997 30 20 CHED COc1ccccc1-c1ccc(C=NNCC(C)C)cc1 771567757 SVHKJDJRFQKGMS-UHFFFAOYSA-N 282.387 3.942 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1ccccc1OC 776205863 ZUDACIYPIUNJQO-LBPRGKRZSA-N 278.421 3.726 30 20 CHED C=C1CCC(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC1 888243293 NRSBJOLJURWBMH-UHFFFAOYSA-N 286.375 3.638 30 20 CHED C[C@H](C#N)Oc1ccccc1NCCCCOC(C)(C)C 788795378 LMOUYAVMHDJXMG-CQSZACIVSA-N 290.407 3.985 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC[C@@H]1CCCC[C@@H]1C 1126126661 MCVCWSYOMVUZOI-BBRMVZONSA-N 284.403 3.813 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1cccc([N+](=O)[O-])c1 783784436 DGLFWOYUDUNQRV-RYUDHWBXSA-N 261.325 3.819 30 20 CHED CCOCCC=NOCc1ccc(C(F)(F)F)cc1 788436561 AGHQWWCNFDOFSN-UHFFFAOYSA-N 275.270 3.634 30 20 CHED C#CC[C@H](NC(=O)N1CCCC[C@@H]1C=C)c1ccccc1 787296459 MPAMVRIHKXLPFS-IRXDYDNUSA-N 282.387 3.501 30 20 CHED CC[C@@H]1CCC[C@H](C=NNCc2ccc(C#N)cc2)C1 783856840 LFOUJPBJTJGYSQ-PBHICJAKSA-N 269.392 3.850 30 20 CHED Cn1ncc(Cl)c1/C=C1\Cc2c(Cl)cccc2C1=O 780187656 VJONMODMXXQKKD-SOFGYWHQSA-N 293.153 3.549 30 20 CHED FC(F)(F)c1ccc(NN=CCC2CCOCC2)cc1 788720759 UIUZFGFZPOQZEY-UHFFFAOYSA-N 286.297 3.920 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@@H](CC)CCCC)CC1 899588881 ABBLSEQPSUMHRS-HNNXBMFYSA-N 281.440 3.523 30 20 CHED C=CCN(C(=O)c1cccc(F)c1SC)C(C)C 797859232 WLNVJDPAGNCHSB-UHFFFAOYSA-N 267.369 3.584 30 20 CHED CC(C)(C)CN(CCC#N)Cc1c(O)ccc(Cl)c1F 792167893 SZSGDXLLBZQSDB-UHFFFAOYSA-N 298.789 3.946 30 20 CHED Cc1ccc2c(C(=O)OC[C@@H](C)C#N)csc2c1 796776103 FQRHCOKBNUQYLI-JTQLQIEISA-N 259.330 3.526 30 20 CHED C#CCSCCN[C@@H](C)c1cc(C)c(OC)c(Cl)c1 796817249 MHPCNGIGJZGPCQ-LBPRGKRZSA-N 297.851 3.674 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H]1CCC2(CCCCC2)O1 709983142 VGXRTTGZOXNFKN-LSDHHAIUSA-N 278.440 3.786 30 20 CHED N#Cc1ccc(NC(=O)[C@H](F)CC2CCCCC2)cc1C#N 793532145 GYFJIJVWFOXYEM-MRXNPFEDSA-N 299.349 3.677 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1cnc2ccccc2n1)C1CCCC1 792111101 WACZAOCYEIDGCV-OCCSQVGLSA-N 293.370 3.632 30 20 CHED C[C@@H]1COCCC1=NNc1nc(-c2ccccc2)cs1 794484677 RJBICCXYEARACU-LLVKDONJSA-N 287.388 3.634 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1cccc(Cl)n1 793173976 GCRUTVGBQRKRQR-QWRGUYRKSA-N 251.761 3.959 30 20 CHED Cc1cccnc1NN=Cc1ccc(OCC2CC2)cc1 790193090 RZUJGWOYQSVTGI-UHFFFAOYSA-N 281.359 3.625 30 20 CHED C[C@@H]1CSC[C@@H]1/N=C\c1c(O)ccc2ccccc12 794675501 COWVMSNQKYUXAV-XJTGIZFZSA-N 271.385 3.716 30 20 CHED CC1CC(CNc2ccc(C#N)c(Br)c2)C1 691895363 NANLEWCVHMFPLU-UHFFFAOYSA-N 279.181 3.779 30 20 CHED C=CCNN=C(C)CC(C)(C)c1c[nH]c2ccccc12 795002857 BUEQEUXLZIKXQB-UHFFFAOYSA-N 269.392 3.987 30 20 CHED CC(C)[C@H](NCc1ccc(C#N)c(F)c1)c1ccccn1 792270772 GLXAILOTXMDLCB-KRWDZBQOSA-N 283.350 3.579 30 20 CHED CCCNc1ccc(C#N)cc1NCc1cccc(C#N)c1 795265598 AGFLIFXIBZWBTR-UHFFFAOYSA-N 290.370 3.864 30 20 CHED C=C(C)CS(=O)(=O)N[C@H](CCCCC)c1ccccc1 790017159 YEIDQUXUPPWKPC-MRXNPFEDSA-N 295.448 3.804 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCCCCCCC 798039383 UAMFKKHJDDCJES-NVXWUHKLSA-N 281.440 3.834 30 20 CHED CSc1ccc(N(C)C(=O)c2ccc(C)c(C#N)c2)cc1 799337651 KZGITRRXGAKXCM-UHFFFAOYSA-N 296.395 3.865 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(O)c2)c(C)c1OC 794740973 VUQZEXIQAVYDMC-VQHVLOKHSA-N 298.338 3.614 30 20 CHED CCON=Cc1c[nH]c2cc(Cl)cc(Cl)c12 790155064 BHJCNRPKMQIBLL-UHFFFAOYSA-N 257.120 3.845 30 20 CHED C=C(Cl)CNCc1c(C)ccc(Br)c1F 1308282663 LYWKPGQEVHCXBI-UHFFFAOYSA-N 292.579 3.739 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 767044315 KULXJCIOULLXMH-RRFJBIMHSA-N 261.409 3.511 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1cc(O)ccc1Cl 1307801343 CVHKVPHZONTZBT-UHFFFAOYSA-N 298.773 3.870 30 20 CHED Cc1cc(C=NOC(C)(C)C)c(C)n1-c1nccs1 1319802791 MJRCNGFOUFINMU-UHFFFAOYSA-N 277.393 3.700 30 20 CHED Cc1cc(NC[C@H]2CCCc3ccccc32)ncc1C#N 1162551475 JUFRBPBNQQRSKE-OAHLLOKOSA-N 277.371 3.794 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)ccc1C#N 1656064217 URQKPOWNJCMENJ-GDZNZVCISA-N 256.393 3.781 30 20 CHED C=C[C@H](COC)NC(=O)[C@@H](CC1CCCCC1)C(C)C 1320442203 LJYSDDRFRAFHTE-CVEARBPZSA-N 281.440 3.546 30 20 CHED Cc1cc(CN[C@H]2CCC[C@@H](C)CC2)ccc1C#N 1662242071 NMPDWCHNBYOLRS-DYVFJYSZSA-N 256.393 3.925 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1ccnc(F)c1 1325840953 DJMMSHZZRBOOEN-FNORWQNLSA-N 267.303 3.606 30 20 CHED C(=NOC1CCOCC1)c1ccc(-c2ccccc2)s1 1320520478 ZPJBLKQSDDSXEN-UHFFFAOYSA-N 287.384 3.945 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NNCc1ccccc1 1328502533 PVQUSOWOTXKCEG-ZDUSSCGKSA-N 280.371 3.702 30 20 CHED N#C[C@H](NC(=O)CC1CC(c2ccccc2)C1)C1CCCC1 1334343254 VUUVETZNFOEMLQ-UYJHFMRCSA-N 296.414 3.769 30 20 CHED N#Cc1ccccc1N(C(=O)[C@H]1CC=CCC1)C1CCC1 1334262324 UMQAJFGYWNCSFR-AWEZNQCLSA-N 280.371 3.800 30 20 CHED CCC[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl 1337481286 FRZUDMOWPDHWJG-GFCCVEGCSA-N 276.767 3.616 30 20 CHED C=C[C@@H](COC)NCc1cccc(OCc2ccccc2)c1 1338091872 ABTXXVXCAWFZJT-SFHVURJKSA-N 297.398 3.556 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C#N)cc1F 1338860572 GFPSLYRRVIHKOD-UHFFFAOYSA-N 274.339 3.516 30 20 CHED C[C@H](C#N)N(CCOc1cc(Cl)cc(Cl)c1)C1CC1 1195918788 JLJCSKNUWCAPKW-SNVBAGLBSA-N 299.201 3.749 30 20 CHED C=C[C@@](C)(CC)c1nnc(-c2nnc(-c3ccccc3)o2)o1 1349977327 NUJRNIGZRLTACA-INIZCTEOSA-N 296.330 3.640 30 20 CHED Cc1cccc(CC(=O)Nc2ccc(Cl)c(C#N)c2)c1 102602451 REHPMMWFDCRSEU-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc(Cl)c(F)c1 1261360276 GEGLTRYNKIEZLV-VHSXEESVSA-N 254.736 3.822 30 20 CHED CC(C)Oc1cccc(CN(C)c2cccc(CC#N)n2)c1 1342858678 IJQCWKHUZUZIKB-UHFFFAOYSA-N 295.386 3.571 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@H](C)[C@H]1C 1346485077 WNUBAMYCXVAWQX-XQQFMLRXSA-N 294.468 3.513 30 20 CHED C=CC(C)(C)CC(=O)NCc1cccc(-c2cnco2)c1 1354038518 DVSPBALOOSJCGY-UHFFFAOYSA-N 284.359 3.560 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc(F)c3ccccc23)C1 1516784081 ZBHBLWBHBYXWEJ-NEPJUHHUSA-N 283.302 3.828 30 20 CHED CCC(CC)C(=O)[C@@H](C#N)c1nccn1Cc1ccccc1 1524683464 QKRFFTCWLZELOV-MRXNPFEDSA-N 295.386 3.544 30 20 CHED Cc1cc(F)cc(C)c1C(=O)N1CCc2c(C#N)cccc21 1526022496 BXCGCAKODDBAOK-UHFFFAOYSA-N 294.329 3.517 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2nsc3ccccc23)c1 1525019176 SZCMVJMFUVELBS-UHFFFAOYSA-N 297.314 3.559 30 20 CHED N#Cc1nc(C(=O)O)ccc1Nc1cccc(C2CCC2)c1 1608223930 HVERZIHOXFTTGM-UHFFFAOYSA-N 293.326 3.663 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OC)c(C#N)c1 1532696281 IOAIWRJBARYOJS-DOMZBBRYSA-N 286.375 3.722 30 20 CHED CCCc1occc1C(=O)Nc1ccc(C#N)cc1C(C)=O 1533137923 GEZJQLKTQUFRGJ-UHFFFAOYSA-N 296.326 3.559 30 20 CHED N#CCc1cccc(NC(=O)c2cc3ccncc3s2)c1 1543579942 XMFIFQFOMHVNMN-UHFFFAOYSA-N 293.351 3.615 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1csc(C#N)c1 1544069085 HDXTVHXREXQZME-GFCCVEGCSA-N 278.421 3.956 30 20 CHED C[C@H]1CN(C(=O)Nc2cc(C#N)ccc2F)c2ccccc21 1625454758 DPODQXRQFMMMTL-NSHDSACASA-N 295.317 3.853 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(Nc2ccccc2)c1 1628293231 WWDCPHGQXYBZHD-ZDUSSCGKSA-N 279.343 3.918 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(F)cc1C#N)C1CCCC1 1562449796 RHXLHYZFOLCIIL-CQSZACIVSA-N 289.354 3.788 30 20 CHED CC(=O)c1ccc(N(C)Cc2ccc(F)c(C#N)c2)cc1 1648158355 MFZPMUOCYYBUAH-UHFFFAOYSA-N 282.318 3.536 30 20 CHED CC1CCC(c2noc(-c3ccc(C#N)s3)n2)CC1 230997680 PJPZNVSOGKWQEH-UHFFFAOYSA-N 273.361 3.963 30 20 CHED Cc1nc(C#N)cc(N2C[C@H](C(C)C)c3ccccc32)n1 1651030041 SBGHBFZXKSREQC-OAHLLOKOSA-N 278.359 3.548 30 20 CHED Cc1cc(SCC(=O)c2ccc(F)cc2)ccc1C#N 1656666940 MIXGYNKOBLCYHW-UHFFFAOYSA-N 285.343 3.981 30 20 CHED N#Cc1ccc(OC[C@@H]2CCC3(CCCC3)O2)c(F)c1 232364006 VDGKXCCYWHNAGQ-ZDUSSCGKSA-N 275.323 3.568 30 20 CHED O=C(O)c1ccccc1NN=CC[C@@H]1C[C@H]1c1ccccc1 1776031219 SXHLOGDYRLFJKE-ZBFHGGJFSA-N 294.354 3.976 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 5591391 JGGOIDHPUMWTJN-SECBINFHSA-N 250.729 3.586 30 20 CHED N#Cc1ccc(CCC(=O)OC/C=C/c2ccccc2)cc1 12956835 WIYPTGHTDZJEIE-QPJJXVBHSA-N 291.350 3.747 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@H]2c2c(F)cccc2F)n1 161469601 HCLBOKFVOZVOEH-RISCZKNCSA-N 285.297 3.508 30 20 CHED C=CCN(CC=C)Cc1c[nH]nc1-c1c(F)cccc1F 158124265 CJMRFSBMAWAPSJ-UHFFFAOYSA-N 289.329 3.529 30 20 CHED CC(C)OC(=O)O[C@H](C)Sc1cccc(C#N)c1 158827892 PJTHRJCWVBVFMA-JTQLQIEISA-N 265.334 3.558 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1[N+](=O)[O-] 208016820 UXGPOPZAGBYACA-TWGQIWQCSA-N 292.294 3.671 30 20 CHED C#Cc1cccc(CNC2CCC(CSC)CC2)c1 825225812 AKZAAAQIOHNUHC-UHFFFAOYSA-N 273.445 3.679 30 20 CHED CCCC1CCN(Cc2cc(C#N)ccc2OC)CC1 130453527 VLSTUOYKJMGUPJ-UHFFFAOYSA-N 272.392 3.579 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1 35053466 IKMVNPUTZOSQBZ-SFHVURJKSA-N 262.356 3.799 30 20 CHED COc1ccc(Cl)cc1CNc1ccc(C#N)cc1 35221897 HWORRECBUCSOGT-UHFFFAOYSA-N 272.735 3.832 30 20 CHED N#Cc1ccc(NCc2ccc3c(c2)OCO3)cc1Cl 37393117 KNJAARYNGJKBHI-UHFFFAOYSA-N 286.718 3.552 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)c1ccc(C#N)cc1 37749718 OKRSDQWEOYQEOT-NSHDSACASA-N 265.291 3.742 30 20 CHED CC(C)c1ccc(C(=O)NC2(C#N)CCCCC2)cc1 40215334 DHMFMXYTSIMROQ-UHFFFAOYSA-N 270.376 3.766 30 20 CHED C#CCCCN[C@H](c1ccccc1)c1ccc(F)cc1 177385099 FMEQTCWUUXUDGW-GOSISDBHSA-N 267.347 3.918 30 20 CHED C=CCC(C)(C)CNC(=O)c1nc(C(C)C)ncc1Cl 293803729 PUVYKGZNEFZLJA-UHFFFAOYSA-N 295.814 3.586 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc2c(c1)CCO2 311888909 OCOWAIXJRGKYBS-CYBMUJFWSA-N 259.393 3.874 30 20 CHED C=CCCCCCCNCc1cnc2ccccc2n1 312474283 SBMQMABFMFAVFV-UHFFFAOYSA-N 269.392 3.856 30 20 CHED N#Cc1cccc(CSc2cccc([N+](=O)[O-])c2)c1F 313546860 CTKBZDNAZDOWDQ-UHFFFAOYSA-N 288.303 3.898 30 20 CHED CSc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 313514057 JTOPRVMHJSXZBE-UHFFFAOYSA-N 282.368 3.727 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@@H](C2CCCCC2)C1 598470806 SMKXWUZOSKXZKN-NVXWUHKLSA-N 276.424 3.745 30 20 CHED CSC[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1 386583607 HXSQOHGPSYGZGO-LLVKDONJSA-N 280.824 3.791 30 20 CHED Cc1ccc(C(=O)COc2cc(Cl)cc(C#N)c2)cc1 394405185 KPHUJDKFRGIPME-UHFFFAOYSA-N 285.730 3.782 30 20 CHED C=CCc1ccccc1OCC(=O)Nc1ccc(C)cc1 1284697 RBVGGBFTKLNQKV-UHFFFAOYSA-N 281.355 3.741 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(OC)c(O)c1 178411882 GYMYFFVBJPJCBR-CQSZACIVSA-N 263.381 3.625 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1CCCSCC#N 177545303 MEGILSCARAJWOB-GOEBONIOSA-N 274.433 3.511 30 20 CHED C[C@H](C#N)N[C@@H](Cc1ccccc1)c1cccs1 116908707 QBJOLFLTRDJJHB-OCCSQVGLSA-N 256.374 3.534 30 20 CHED C=CC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 110367598 IIAFUKQOBXOKLX-UHFFFAOYSA-N 273.420 3.627 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H](CC1CCCC1)C(C)C 116175769 HSORWTCYAYBSPZ-GDBMZVCRSA-N 278.440 3.847 30 20 CHED CC[C@@H](C#N)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 171005977 NSGNIEIZIYFVDR-QMMMGPOBSA-N 296.157 3.507 30 20 CHED CC(C)Cc1nc(C(=O)Nc2sccc2C#N)cs1 63570185 QEUDEJIWSDULKR-UHFFFAOYSA-N 291.401 3.527 30 20 CHED CCOCc1cc(/C=C/C(=O)c2ccco2)ccc1OC 178994120 DHZSYMNDISTVLE-SOFGYWHQSA-N 286.327 3.721 30 20 CHED C=C(C)COC(=O)c1cnc(Cc2ccc(F)cc2)s1 170748315 ZBISSFYFCHEDCI-UHFFFAOYSA-N 291.347 3.606 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 24717860 KQTKKPPTIJXNOQ-UXBLZVDNSA-N 297.310 3.808 30 20 CHED COc1ccc(COCCCNc2ccc(C#N)cc2)cc1 171046237 WELPULUKLHTYES-UHFFFAOYSA-N 296.370 3.586 30 20 CHED N#Cc1ccc(N(Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 301247710 IIKLDNNYVWHWBK-UHFFFAOYSA-N 293.326 3.635 30 20 CHED C=CCN(C(=O)COc1ccc(CC)cc1)c1ccccc1 61282359 MDHXCDHMIZPUOB-UHFFFAOYSA-N 295.382 3.847 30 20 CHED COC1(CNc2c(C#N)cnc3c(C)cc(C)cc23)CCC1 302023086 JCCCJXNKSWFBGD-UHFFFAOYSA-N 295.386 3.704 30 20 CHED C=CCCCC(=O)Nc1cccc2ccc(C)nc12 175536508 ASYFFRFDKCYNCX-UHFFFAOYSA-N 254.333 3.838 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@H](C#N)C1CCCCC1 176623235 ZISVVHWUMCZNCW-DZGCQCFKSA-N 264.413 3.647 30 20 CHED CC[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 128801710 OUESDPYMUJJFEL-DOMZBBRYSA-N 294.354 3.533 30 20 CHED C=CCN(Cc1ccc(C)nn1)Cc1ccc(Cl)s1 414370404 LGYLTWTUKISFDB-UHFFFAOYSA-N 293.823 3.688 30 20 CHED CC(C)CCN(CCC#N)CCc1cccs1 123502871 ODYMOFUVYPBWCM-UHFFFAOYSA-N 250.411 3.552 30 20 CHED Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)c(F)cc1F 176314732 XBUIGRNASBUTOT-UHFFFAOYSA-N 294.345 3.675 30 20 CHED O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1ccc(O)cc1 64359826 ZJEBMOSTHPBKOL-QPJJXVBHSA-N 298.729 3.589 30 20 CHED CN(CCC#N)c1ccc2ccc(Cl)c(Cl)c2n1 301985623 JTVUDMNYFZWFEL-UHFFFAOYSA-N 280.158 3.891 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)Nc1ccccc1C#N 128933210 PUPFAWCRBPVQEB-ZDUSSCGKSA-N 286.375 3.625 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ncc(-c2ccccc2)cn1 186048057 MIMFWNUFLGZOMR-LSDHHAIUSA-N 281.403 3.834 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)c2cccc(F)c2O1 185984331 UTSYUTJDRDKNLK-GFCCVEGCSA-N 276.355 3.743 30 20 CHED C=CCCOCCNCc1c(OC)ccc2ccccc12 120865101 WYQBIKTVPTWSCG-UHFFFAOYSA-N 285.387 3.531 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@H]1C=CCC1 121354743 VDQGIBMQXXATER-KRWDZBQOSA-N 269.388 3.600 30 20 CHED N#Cc1cc(NC(=O)c2cccnc2Cl)ccc1Cl 37979465 UDWHTDPUMVQQPH-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1ccc(NCc2cccc(O)c2)c(C(F)(F)F)c1 36973658 ZHQNDGKPDRUUHY-UHFFFAOYSA-N 292.260 3.895 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](CC)c1ccc(F)cc1F 185628176 LHMXJMVQVOHEPE-CQSZACIVSA-N 279.330 3.582 30 20 CHED CN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CCC[C@H]1C(C)(C)C 416284967 GNWIBXBYHIELKI-SJORKVTESA-N 298.430 3.774 30 20 CHED CC[C@@H](C)[C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N 180034214 ZKVJQPBTEWIVOG-AGIUHOORSA-N 289.379 3.534 30 20 CHED Cc1cccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1 504535615 CZFQIASQYYZFTA-UHFFFAOYSA-N 296.345 3.922 30 20 CHED CC(C)(CC(=O)Nc1sccc1C#N)c1ccccc1 121183890 MDPVCBXGWROLOY-UHFFFAOYSA-N 284.384 3.926 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1ccc(F)cc1 217032160 VOAKMSCPIHOJGV-XFSBKJJWSA-N 261.683 3.770 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCc1ccc(C(C)C)cc1 500804770 KYIUICYASIORFU-OAHLLOKOSA-N 286.419 3.751 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)[C@@H](C)c1ccccc1 413172451 BTZCQVQWMPOKRL-NEPJUHHUSA-N 269.323 3.696 30 20 CHED N#CCc1ccc(NCc2c[nH]nc2-c2cccs2)cc1 37301977 KPHBIMOQVFHYNZ-UHFFFAOYSA-N 294.383 3.816 30 20 CHED C[C@H]1OCC[C@H]1SCc1ccc(Cl)cc1C#N 186650194 UMLNGNHAQDNQHF-NOZJJQNGSA-N 267.781 3.622 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2ccccc2)nc1C 183478134 LEBJKYUGCLSNBZ-AWEZNQCLSA-N 280.327 3.516 30 20 CHED CCCC(C#N)(CCC)NC(=O)C=C(CC)CC 121639185 WJRGBJJDWGWIBH-UHFFFAOYSA-N 250.386 3.712 30 20 CHED CC[C@@H](NCCCC#N)c1nc(C(F)(F)F)cs1 185946931 DEADLZPMZOBKOZ-MRVPVSSYSA-N 277.315 3.506 30 20 CHED C=C(C)CN(CC)c1ncnc2sc(CC)cc12 502098396 OIKMHENXEGEYQU-UHFFFAOYSA-N 261.394 3.656 30 20 CHED COc1ccc(O)c([C@@H](C)Nc2cccc(F)c2C#N)c1 36138795 UNEMJTLMLNHGAQ-SNVBAGLBSA-N 286.306 3.585 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCO[C@H](C(C)C)C1 414308192 SLWUKLIGXLLZKV-QRVBRYPASA-N 287.447 3.967 30 20 CHED COc1ccccc1/C=C/C(=O)c1sccc1OC 184767937 CGEUQRZLBBIREJ-BQYQJAHWSA-N 274.341 3.661 30 20 CHED C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC[C@H]1C 186993139 GLLAIOILOFRVMT-KEYYUXOJSA-N 299.418 3.524 30 20 CHED CSc1ccc(C(=O)/C=C/c2c(C)n[nH]c2C)cc1F 132720530 CLDQQFFHUYJEIN-AATRIKPKSA-N 290.363 3.784 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2ccc(F)cc2)c1 73012662 DVKDFNFLCISCBE-QGZVFWFLSA-N 298.361 3.796 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc(Br)cc1 450672254 HHLWFPLGVJWXQL-NSHDSACASA-N 293.208 3.794 30 20 CHED CC(C)C1(C)CCN(C(=O)NCc2cccc(C#N)c2)CC1 186288359 YHFOTNSGPQTBCJ-UHFFFAOYSA-N 299.418 3.526 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 42091365 WOCBNEHZXOKBBV-UHFFFAOYSA-N 280.327 3.967 30 20 CHED COc1cc(C#N)ccc1CNc1cc(Cl)ccc1F 500854029 ZZRXVLJSSYJNCR-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(C#N)cc1 287143981 ATQUIOAGIRVBBL-ZANVPECISA-N 268.282 3.550 30 20 CHED N#Cc1cc(N(C#N)C[C@H]2CCCC(F)(F)C2)ccc1F 509068757 ROKLQTXYAXTXAY-NSHDSACASA-N 293.292 3.810 30 20 CHED C#CCCCC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 192172204 GVUMTZFMUCRDRT-CZUORRHYSA-N 285.387 3.698 30 20 CHED Cc1nc(Oc2ccc(Br)cc2)ccc1C#N 379757857 ZVQPXOGIQIMVAY-UHFFFAOYSA-N 289.132 3.817 30 20 CHED C[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1cccc(F)c1 195424652 XONLCTOPJVLPAE-GFCCVEGCSA-N 283.302 3.544 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CC[C@H](CO)CC1 245670362 PEPBNMUCGCMXNS-WKILWMFISA-N 283.456 3.794 30 20 CHED N#Cc1ncccc1N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 428363431 ZBKYWAAIXLEIGL-HOCLYGCPSA-N 299.761 3.549 30 20 CHED C#CCCCC(=O)Nc1ccc(C(F)(F)F)c(C)c1 192142205 HPSNMWHWDACZNP-UHFFFAOYSA-N 269.266 3.756 30 20 CHED CCSc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 426318612 ROXXZCVGTMBWGW-UKRRQHHQSA-N 274.433 3.971 30 20 CHED C=CCNC(C)(C)Cc1ccc(C(F)(F)F)cc1 190702002 QIVVDQWLMOEIEP-UHFFFAOYSA-N 257.299 3.802 30 20 CHED N#CCN(Cc1cscc1Br)C1CCCC1 289976191 JJVTYSFREPFCPP-UHFFFAOYSA-N 299.237 3.779 30 20 CHED C=CCOc1cccc(CNCCOc2cccc(C)c2)c1 518768250 KOCGOPKYJFKOMS-UHFFFAOYSA-N 297.398 3.728 30 20 CHED CC[C@H](/N=C(/O)c1ncoc1C1CC1)c1c(C)noc1C 328924700 DMNFUEIQOOHFHO-NSHDSACASA-N 289.335 3.613 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C)cc(Cl)c1 515374389 QVCKDRIQBCVSKN-ZBFHGGJFSA-N 279.811 3.719 30 20 CHED CC1(C)CC(=O)c2cc(OCC3(C#N)CCC3)ccc2O1 333910067 LBKWGUPCKFNQRH-UHFFFAOYSA-N 285.343 3.503 30 20 CHED Cc1cc(C)c(C#N)c(NCCCSCC(C)C)n1 339365120 XMODUHAJMVMYOL-UHFFFAOYSA-N 277.437 3.761 30 20 CHED C=CCCOCC(=O)Nc1ccc(C(C)(C)C)cc1 142789450 JDVYCFVNUIQHSS-UHFFFAOYSA-N 261.365 3.515 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(C)(C)c1cccc(F)c1 424690155 XWAOZNPNPZJSEH-UHFFFAOYSA-N 277.383 3.822 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCC(F)(F)F 424803657 MUHJNQQPMWNQAE-JTQLQIEISA-N 265.319 3.826 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc(C#N)c1C 512832760 IWKXQOKNFGRVKV-CXAGYDPISA-N 284.403 3.908 30 20 CHED CSC1(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC1 332475581 TZZSKEXWEASVGK-UHFFFAOYSA-N 288.416 3.712 30 20 CHED CC[C@H]1CCCN(C(O)=Nc2cnn([C@H](C)CC)c2C)C1 331164218 XVRBMNQEZFKAGP-OCCSQVGLSA-N 292.427 3.830 30 20 CHED Cc1cncc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 334921020 IIGDLTHESSBMCM-IFXJQAMLSA-N 291.398 3.990 30 20 CHED C=CCCN(C)Cc1ccc(OCC(F)(F)F)cc1 511082000 PXPMFKHYEDTICW-UHFFFAOYSA-N 273.298 3.636 30 20 CHED Cc1ccc(C)c(/C(O)=N/[C@](C)(C#N)CC(C)C)c1 330479300 LVWXDDDCJFTZSO-INIZCTEOSA-N 258.365 3.936 30 20 CHED C[C@@H]1CC(Nc2nc(Cl)c(C#N)s2)C[C@@H](C)C1 235294400 JOCMEPXNMLKSAF-YUMQZZPRSA-N 269.801 3.905 30 20 CHED CSc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1Cl 336215337 BCSTVZZLVAOBHF-SDBXPKJASA-N 280.780 3.550 30 20 CHED C[C@@H](N[C@@H]1CCc2cccnc2CC1)c1ccc(C#N)cc1 335026913 AJFDYOJOPISXSG-RDTXWAMCSA-N 291.398 3.551 30 20 CHED C=C(C)COCCN[C@@H]1CCC[C@H]1c1ccc(F)cc1 90451456 VHOCFGYEUMDVQX-DLBZAZTESA-N 277.383 3.644 30 20 CHED OC(=Nc1ccc2n[nH]cc2c1)c1ccnn1C1CCCC1 330051928 OGDMLRHUKGPXIL-UHFFFAOYSA-N 295.346 3.511 30 20 CHED Cc1cccc(CN(Cc2ccc(C#N)cc2)CC(C)C)n1 347360869 GMHIUWKFYBSZFH-UHFFFAOYSA-N 293.414 3.920 30 20 CHED CCC1CCC(C(=O)N(CCC#N)Cc2cccnc2)CC1 343899568 JYESTCSYENZTGR-UHFFFAOYSA-N 299.418 3.540 30 20 CHED CN(CCC#N)c1ccc(CN2CCC[C@H]2C2CCC2)cc1 245567331 UOBOZLRKNQVDIW-IBGZPJMESA-N 297.446 3.801 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 604511146 SFRXJLMZLDJXGJ-BBRMVZONSA-N 298.386 3.744 30 20 CHED C=C(C)CN[C@H](C)c1cccc(Br)c1 51753364 GLXPRQGJHBWXPC-SNVBAGLBSA-N 254.171 3.676 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc2c(c1)CCC2 436290252 IYEMMUAOYDRICJ-ZMYBRWDISA-N 285.431 3.807 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(C)c(OC)cc1Cl 345464807 VFMGMARMOLIPOG-NSHDSACASA-N 297.782 3.577 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](CC)c1ccc(OC)cc1 346144563 ZKAAUVHSAAGBSK-GOEBONIOSA-N 290.407 3.800 30 20 CHED N#CCCCOc1cccc(NCc2cnc(C3CC3)o2)c1 600120621 DMZQCBCRSWWRBE-UHFFFAOYSA-N 297.358 3.847 30 20 CHED C=CCCC[C@H](C)N[C@H]1CCCc2scnc21 623928424 PJDJAOGOFSFUPT-RYUDHWBXSA-N 250.411 3.855 30 20 CHED CCC(C#N)(CC)c1nc(-c2cccc3[nH]ccc23)no1 528101518 DSFHWSUBIFUYHG-UHFFFAOYSA-N 280.331 3.799 30 20 CHED C=CCCN(C)Cc1c(C)nn(-c2ccc(F)cc2)c1C 343490812 MHJFQPFBUXERPI-UHFFFAOYSA-N 287.382 3.636 30 20 CHED N#CCCCN[C@@H]1CCC[C@@H](c2ccccc2)CC1 527690102 FOPHEMBTGGNCHN-IAGOWNOFSA-N 256.393 3.996 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)CCCC[C@@H]3N)cc1 600775801 MZCCCIUGUFYTIK-SFHVURJKSA-N 262.356 3.951 30 20 CHED CC(C)Cc1ccc(C(=O)NCc2cccc(C#N)c2)cc1 603509529 GBHNHDXYDCWQAB-UHFFFAOYSA-N 292.382 3.687 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCCOc2cc(F)ccc21 602585867 WMHLICNFSDOUOM-SWLSCSKDSA-N 276.355 3.569 30 20 CHED O=C(/C=C\c1ccc(O)cc1)c1c(Cl)nc2ccccn12 255378813 CIMVWLHPRYHMMR-TWGQIWQCSA-N 298.729 3.589 30 20 CHED C=CCOc1cccc(CNCCCc2ncccc2C)c1 449487022 WHJJEOFTPROZKO-UHFFFAOYSA-N 296.414 3.677 30 20 CHED Cc1ccccc1C=NOCc1cc(-c2ccco2)on1 255066745 ZZQCRDLDULIZSL-UHFFFAOYSA-N 282.299 3.794 30 20 CHED N#Cc1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1F 353546295 FXXWLZVQJAAXIT-UHFFFAOYSA-N 294.289 3.823 30 20 CHED C=CCC[C@H](NCCOc1ccc(F)c(F)c1)C1CC1 537967723 XPJIMZHEJAILSZ-INIZCTEOSA-N 281.346 3.678 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(C2CC2)ccn1 358216686 AAWCLHPUGKUICK-UHFFFAOYSA-N 288.391 3.661 30 20 CHED Cc1ccc2c(CC(=O)N(CCC#N)C(C)C)coc2c1C 604560476 IVGLHDJHHMFZKR-UHFFFAOYSA-N 298.386 3.743 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc(CC#N)c1 265646397 VUHWVLGMWGONFB-WMLDXEAASA-N 284.403 3.793 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1Cl 449349584 RLCHDQKKVQXWQL-SCVCMEIPSA-N 266.747 3.822 30 20 CHED C=CCCCCCN(C)C(=O)Nc1c(C)noc1C 265946302 OITMKNJIJGBPKX-UHFFFAOYSA-N 265.357 3.502 30 20 CHED C=Cc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 617613237 BQPKGMUWROPVCM-CYBMUJFWSA-N 276.339 3.692 30 20 CHED C[C@@H](NCCSCc1ccccc1C#N)C1CCCC1 537972897 IEFPTKGVDOBHIP-CQSZACIVSA-N 288.460 3.960 30 20 CHED N#CCC[C@@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1 359889460 YZOCRRNCHUQPTA-ZIAGYGMSSA-N 292.329 3.583 30 20 CHED Cc1cc(C)nc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 356523738 VNSZFCHAWIOTNG-MRXNPFEDSA-N 293.370 3.725 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1ccc(F)cc1C#N 530902556 LXZHWYYXMVYUER-CYBMUJFWSA-N 280.346 3.817 30 20 CHED Cc1sc(NC(=O)CSCCC(C)C)c(C#N)c1C 358621850 AZYGOHSRTAXGQN-UHFFFAOYSA-N 296.461 3.954 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 448670065 YWOARWIAJGOVFW-FGTMMUONSA-N 296.414 3.733 30 20 CHED Cc1ccccc1[C@H]1CCCN1c1cccc(C#N)n1 267240861 RQNGQJOYDQJOHB-MRXNPFEDSA-N 263.344 3.603 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C#N)s1 531385731 MKUJNGBOIIFOEH-DGCLKSJQSA-N 276.405 3.661 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1cccc(C)c1 268183736 UIKVWUZJIUQHPM-UHFFFAOYSA-N 257.377 3.722 30 20 CHED C=CCSCCNC(=O)Nc1ccc(C2CC2)cc1 611330603 KTIZUDCOLFAIJX-UHFFFAOYSA-N 276.405 3.605 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCCc3cc(OC)ccc32)CC1 354298166 CCPVCJOHOZTJMK-QGZVFWFLSA-N 299.414 3.935 30 20 CHED N#Cc1cc2c(nc1SCCc1ccncc1)CCCC2 619573185 JYUPZORCIQVKFI-UHFFFAOYSA-N 295.411 3.562 30 20 CHED C=CCCC(=O)N[C@@H](CC)c1ccccc1OC(F)F 263700561 UFPDCIOAMYQDQM-LBPRGKRZSA-N 283.318 3.822 30 20 CHED C[C@H](CCc1ccco1)N=c1ccc2cc(C#N)ccc2[nH]1 536767594 SGPYUNYYDPFEFF-CYBMUJFWSA-N 291.354 3.555 30 20 CHED Cc1nc2ccccc2c(C)c1C(=O)NCC(C)(C)CC#N 458047538 XZWBXZIYEGTTTK-UHFFFAOYSA-N 295.386 3.521 30 20 CHED C[C@H](CC(=O)NCC(C)(C)C#N)Cc1ccc(Cl)cc1 611696775 ISPLBYLFEDJCTR-LBPRGKRZSA-N 292.810 3.575 30 20 CHED N#Cc1cc(CN[C@@H]2CCCC[C@H]2c2ccccc2)ccn1 614326204 YTMCLBDUHCAHGE-RBUKOAKNSA-N 291.398 3.769 30 20 CHED C=C(C)Cn1c(-c2ccccc2F)nnc1N(C)CCC 549641603 SZQNLXBXJKJZPC-UHFFFAOYSA-N 288.370 3.507 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(F)c(OC)c1 455214514 AJVHQBDIDNZHTO-UHFFFAOYSA-N 280.343 3.558 30 20 CHED CCCC[C@H](CCC)CNC(=O)N(C)CC(C)(C)C#N 458506904 GPTDFSHXAPDYOZ-AWEZNQCLSA-N 281.444 3.784 30 20 CHED CCC(=O)c1ccc(Cl)c(NC(=O)CCCC#N)c1 362207778 LZKNRWVYFWPNOX-UHFFFAOYSA-N 278.739 3.565 30 20 CHED Cc1ccsc1C(=O)NCc1ccc(C#N)c(Cl)c1 619764872 MGJZULWBCBNRTH-UHFFFAOYSA-N 290.775 3.512 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)c(F)c1 453367824 DSEKWGOHOXOMEL-GOSISDBHSA-N 280.346 3.783 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC(C)C)C(C)C 458813098 RWZAAJYWNZBDKV-UHFFFAOYSA-N 254.418 3.665 30 20 CHED C=CCCC1(C(=O)Nc2csc(-c3ccncc3)n2)CC1 549726227 RQVCBGUACXTGCO-UHFFFAOYSA-N 299.399 3.890 30 20 CHED C=CC[C@H](CC)NCc1cc2ccccc2nc1OC 545992778 AUUAGFGPQRKHPO-HNNXBMFYSA-N 270.376 3.688 30 20 CHED CCC[C@@H](C)N(C)C(=O)Nc1cc(C)cc(C#N)c1 456011652 VATYGOUCBOSJHC-GFCCVEGCSA-N 259.353 3.519 30 20 CHED C=CCN(C(=O)C1(Cc2ccccc2F)CC1)C(C)(C)C 622945147 UHVXRHNYUFHVHT-UHFFFAOYSA-N 289.394 3.962 30 20 CHED Cc1cccc([C@H](C)NC(=O)N(C)CC(C)(C)C#N)c1C 458394459 BSYQJKYPWNMTMR-AWEZNQCLSA-N 287.407 3.556 30 20 CHED C=C(C)CCNC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 454555782 UCPLFIAJKYZZGS-GWCFXTLKSA-N 296.773 3.600 30 20 CHED C=CCOCCOc1ccc(OCC2CC2)c(Cl)c1 549061122 VOAXUXLRGLVQPS-UHFFFAOYSA-N 282.767 3.710 30 20 CHED C=C(C)CCNC(=O)Nc1cc(C)ccc1Cl 454966121 USUULJAAUWQPPB-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)CCCOC 279286995 AWBXWEBZCSDCGO-MRXNPFEDSA-N 289.419 3.654 30 20 CHED C[C@@H]1CC[C@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 456037711 OYHXJIVMXIAXBW-PBHICJAKSA-N 298.430 3.679 30 20 CHED C=CCOCCCN1CCC(c2ccccc2F)CC1 548752090 QPCJBQCZTJSOFA-UHFFFAOYSA-N 277.383 3.598 30 20 CHED C=CCOc1ccccc1CNC(=O)C1(C)CCCCC1 547710601 KQJVJOXXMHKVAN-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C=C[C@H](Cc1nc(CC2CC2)no1)c1ccccc1 270364975 YRCPCQYOYBNABJ-CYBMUJFWSA-N 254.333 3.534 30 20 CHED C=C(C)CCN1CC[C@](F)(c2ccccc2F)C1 549413663 OAWPUSKRAWLRNN-OAHLLOKOSA-N 251.320 3.662 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1c(F)cccc1F 467741506 RQUPOHKRGPATIT-BONVTDFDSA-N 267.319 3.744 30 20 CHED N#Cc1c(F)cccc1NCc1ncoc1-c1ccccc1 372603485 ZUOSSYQJHCLVRY-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=CCN(C(=O)Nc1cc(C)c(OC)cc1Cl)C1CC1 288832167 HJNWXODYDPKICJ-UHFFFAOYSA-N 294.782 3.839 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2NCCCCC#N)cc1 370643786 LCLGXOSQUKHUFG-IRXDYDNUSA-N 256.393 3.915 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(F)c(OC)c2)no1 558302655 YFJMQKYIAHESQR-HNNXBMFYSA-N 276.311 3.738 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 285088678 IBYOENIUTWYQQS-SUMWQHHRSA-N 288.391 3.591 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2cnccc12 636448939 WPFBFNSJFGDDAP-INIZCTEOSA-N 254.333 3.776 30 20 CHED CC[C@H](NC[C@@H](C)N1CCCC[C@@H]1C)c1ccc(C#N)cc1 559983545 JOPODCJORVDSAT-FCEWJHQRSA-N 299.462 3.862 30 20 CHED Cc1cc(F)ccc1CNC1(c2cccc(C#N)c2)CC1 551706974 MUGVNRBBQKTPEK-UHFFFAOYSA-N 280.346 3.785 30 20 CHED C=C(C)COCCNC(=O)[C@H](CC(C)C)c1ccccc1 475056645 KXJCXNLWIALNRA-QGZVFWFLSA-N 289.419 3.525 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Oc1ccc(SC)cc1 471712889 LHRBKSRPAXUKMB-CYBMUJFWSA-N 293.432 3.648 30 20 CHED Cc1csc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 294719357 MLIUOXFKHXBEJL-UHFFFAOYSA-N 298.411 3.979 30 20 CHED C=CCCCCCCNC(=O)N[C@H](C)c1c(C)noc1C 805113566 XUURKEHEDOSFHC-GFCCVEGCSA-N 293.411 3.788 30 20 CHED CC(C)(CCC#N)CNCc1ccc([N+](=O)[O-])c(Cl)c1 809777970 JYWDVUDMDRDWBH-UHFFFAOYSA-N 295.770 3.668 30 20 CHED CC(C)Oc1ccc([C@@H](C)Nc2cc(C#N)ccn2)cc1 292725842 IJKITNRJCXWYLO-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C#Cc1ccc(CNCc2ccc(OCC=C)cc2)cc1 809688811 FLBLJWHLMRFKCY-UHFFFAOYSA-N 277.367 3.523 30 20 CHED C#CCCc1noc([C@H](F)c2ccc(C(F)(F)F)cc2)n1 809397967 LGKXCAMDNVOHTG-GFCCVEGCSA-N 298.239 3.713 30 20 CHED C=C[C@](C)(CC)C(=O)N1Cc2ccccc2OC(C)(C)C1 567960678 VUHHIIMLSURIDK-GOSISDBHSA-N 287.403 3.789 30 20 CHED CCOc1cc(CN(CCC#N)CC(C)(C)C)ccc1O 297751565 LDNMWZBCDSFZNZ-UHFFFAOYSA-N 290.407 3.553 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OCC)c(OCC)c1 648082862 MHQMBUZTJRAQBJ-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1cncc2ccccc12)C(C)C 808196514 YOHPUXAMGXMDSQ-OAHLLOKOSA-N 296.414 3.836 30 20 CHED C#C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)C(C)(C)C 807882269 YRJRUWDWQYMMIT-GFCCVEGCSA-N 288.778 3.599 30 20 CHED C=C[C@@](C)(O)CC(=O)N(CCCC)[C@H](C)CCCC 647430235 XYCSJOWYGDKEFL-GDBMZVCRSA-N 269.429 3.521 30 20 CHED CC(C)[C@@H](NCCC#N)c1cccc(C(F)(F)F)c1 299688140 NOQLDVCLCHHTMY-CYBMUJFWSA-N 270.298 3.906 30 20 CHED CSc1ccc([C@@H](C)NCC(C)(C)C#N)cc1F 809639284 JEBSAHZEBCZDIH-SNVBAGLBSA-N 266.385 3.748 30 20 CHED COc1cc(COC(=O)CCCCCC#N)ccc1C 805887037 QCXFFICZRCTZKD-UHFFFAOYSA-N 275.348 3.521 30 20 CHED C=CCOCCCN1CCC[C@H]1Cc1ccccc1C 470775259 WSKZRFZNKSLSNW-SFHVURJKSA-N 273.420 3.595 30 20 CHED CC(C)(C#N)CCN(Cc1c(F)cccc1F)C1CC1 561887346 UVIRNVKEPCHARE-UHFFFAOYSA-N 278.346 3.869 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2cccc(C(F)F)c2)no1 809480975 XYJGAQDQDSGOEY-AWEZNQCLSA-N 277.274 3.865 30 20 CHED C[C@H](C#N)OCCN1C[C@H](C(C)(C)C)c2ccccc21 801950525 LREYPYXTYIUEDD-HIFRSBDPSA-N 272.392 3.565 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(COC(C)(C)C)cc1 806338587 RCHXNDDQUVFXFQ-CQSZACIVSA-N 288.391 3.535 30 20 CHED CCOc1cccc(CN2CCCC(C)(C)[C@H]2C#N)c1 563675314 HBYSZIVQMKMZNT-MRXNPFEDSA-N 272.392 3.599 30 20 CHED C=CCC[C@@H](NCC(C)(C)[C@H](O)C(C)C)c1ccco1 560544979 RVXXBUGJUHWDBB-GDBMZVCRSA-N 279.424 3.920 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cccc(Nc2ccccc2)c1 564369838 JUHBJIJZUUNBDV-GOSISDBHSA-N 293.370 3.852 30 20 CHED Cc1cccc2c1[C@H](OC(=O)c1ccc(C#N)cc1)CCO2 814035098 SRKCUFQEJPKHAJ-MRXNPFEDSA-N 293.322 3.547 30 20 CHED CC[C@@H](COC(=O)c1ncc(C#N)cc1C)c1ccccc1 815939841 BCSYLLYMVBXLHP-HNNXBMFYSA-N 294.354 3.612 30 20 CHED N#Cc1c(F)cccc1COc1cccc(F)c1F 488269788 HRBWUYPOIVFUBA-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C#Cc1ccccc1CC(=O)N(CC1CCCCC1)C1CC1 810177994 HBJBDFHBBLSIAG-UHFFFAOYSA-N 295.426 3.782 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1coc2ccccc12 560693148 HGQVAVBZSOSBJO-CQSZACIVSA-N 269.344 3.542 30 20 CHED CC[C@@H](CC(=O)N[C@@]1(C#N)CC1(C)C)c1ccc(C)cc1 484918986 MQQDAKUXKASAQH-KBXCAEBGSA-N 284.403 3.687 30 20 CHED N#CCCCC(=O)OCc1c(Cl)cccc1Cl 812618062 HXSTZBANKLFWRZ-UHFFFAOYSA-N 272.131 3.730 30 20 CHED CCC#C[C@H](C)Sc1ccc(-c2ccco2)nn1 651209715 NTOKEQXZMFAKHF-NSHDSACASA-N 258.346 3.631 30 20 CHED C#C[C@H](C)N(C)C(=O)NC1CCC2(CCCCC2)CC1 812204174 ZBQYBAWNCJGXHP-AWEZNQCLSA-N 276.424 3.543 30 20 CHED CO[C@@](C)(C=NNc1ncc(Cl)cc1Cl)C1CC1 814739844 CFOGGYXAPWNXKK-LBPRGKRZSA-N 288.178 3.601 30 20 CHED C=CCCC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 489674004 YCQYMINWPFOUSQ-HOTGVXAUSA-N 257.377 3.795 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1cccc(Cl)c1 811668500 OUVNJWZORHPMGE-CYBMUJFWSA-N 288.778 3.731 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C)c(OC(C)C)c1 488446864 LDRCAYDEMLHMMQ-UHFFFAOYSA-N 291.391 3.704 30 20 CHED C#C[C@H](NC(=O)[C@@](C)(C=C)CC)c1ccc(Cl)cc1 811948893 LBTYEIJPJNOKQF-HOCLYGCPSA-N 275.779 3.733 30 20 CHED C=CCC(F)(F)C(=O)N[C@]1(C)CCCc2ccccc21 815229362 FKRMBVCAEZIGGK-OAHLLOKOSA-N 279.330 3.566 30 20 CHED CO[C@H]1C[C@@H](c2ccccc2)CCC1=NOC1CCC1 814936904 NRSCZRPYWKHCAG-YOEHRIQHSA-N 273.376 3.894 30 20 CHED C=CCn1cccc1C(=O)NC[C@@H](CC)c1ccccc1 488594374 KVQXNGGRMQHGGZ-OAHLLOKOSA-N 282.387 3.598 30 20 CHED N#CCC1(OC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCC1 810856757 DKPVNLHZWLVETQ-NXEZZACHSA-N 295.791 3.885 30 20 CHED O=C(O)c1ccc(/C=C2/CCc3sccc3C2=O)cc1 726891166 GUZFQWUGLCDQDS-XFXZXTDPSA-N 284.336 3.659 30 20 CHED C=C1[C@@H](OC(=O)c2ccc3cc[nH]c3n2)C[C@H]2C[C@@H]1C2(C)C 813092636 XIRISEAMWIAUIR-IPYPFGDCSA-N 296.370 3.711 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2ccc(F)cn2)CS1 814842770 RHRVRVGCDARMOS-LLVKDONJSA-N 267.373 3.540 30 20 CHED CC(Cc1cccs1)=NNc1nncc2ccccc12 729633702 QNNZKWPDYUMZQY-UHFFFAOYSA-N 282.372 3.722 30 20 CHED C[C@H]1SCCC1=NNc1ccc(C(F)(F)F)cc1 814882494 QLFZJQUFEQCUIC-MRVPVSSYSA-N 274.311 3.999 30 20 CHED CC(C)(C)[C@H]1CCCN1C(=O)/C=C/c1ccccc1C#N 729402642 SWOTWHMSYCFYEM-SIFUEBAJSA-N 282.387 3.609 30 20 CHED C=C(C)CN(C)C(=O)c1cnn(C(C)C)c1-c1ccccc1 488785733 SVRCBIPUKOKGJF-UHFFFAOYSA-N 297.402 3.779 30 20 CHED C=CCOCC(=O)O[C@H](C)c1ccc2ccccc2c1 729759680 YXFONCGIJQHXME-CYBMUJFWSA-N 270.328 3.647 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)C[C@H](C)C1CCCCC1 571799843 OAJWMOKEULCFEC-BBRMVZONSA-N 296.480 3.744 30 20 CHED C=CCC1(C(=O)NCc2noc3ccccc23)CCCCC1 571175870 KWIFDBOFMWLVNG-UHFFFAOYSA-N 298.386 3.971 30 20 CHED CC[C@H](CC(=O)OCCOc1ccccc1C#N)C(C)C 729760076 DXOJUJLZESRJQD-CQSZACIVSA-N 289.375 3.553 30 20 CHED CCO/C=C\C(=O)Nc1ccccc1S[C@H](C)CC#N 493085337 OYIXATQXNSSJMY-UCQJPZFISA-N 290.388 3.570 30 20 CHED C=CCCOC(=O)c1sc(Cc2ccccc2)nc1C 729072736 WUBTUENELTUZTR-UHFFFAOYSA-N 287.384 3.775 30 20 CHED CN(C)c1ccc(/C=C2/Cc3ccccc3C2=O)cc1F 727653727 YAYOQJJDQKTBQD-ZROIWOOFSA-N 281.330 3.714 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C2CC2)n(CC)n1 666278614 QLGPMWJNKQZAEF-UHFFFAOYSA-N 290.411 3.647 30 20 CHED CCCc1csc(CNc2cccc(C#N)c2)n1 494199038 RVXUPNGKEJHJQU-UHFFFAOYSA-N 257.362 3.579 30 20 CHED C=CCC[C@H](NC(=O)/C=C\c1ccc[nH]1)c1ccccc1 588549897 YMOWMWPCHKJNSM-QOHRORDFSA-N 280.371 3.852 30 20 CHED C=CCOc1ccccc1-c1nc(-c2cc(C)ccn2)no1 583169555 YFTFZEPAXIOFIG-UHFFFAOYSA-N 293.326 3.672 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)C=C1CCCC1 732105387 NWPQBJVSPMDIJB-SFHVURJKSA-N 282.387 3.518 30 20 CHED CC(C)(C#N)CCCNc1cccc(N=S(C)(C)=O)c1 902150914 ZNDNXFPJDAMFCF-UHFFFAOYSA-N 293.436 3.788 30 20 CHED C#CCCOc1ccc(CN[C@H]2CCC[C@@H](C)C2)cc1 733324093 IFXFITPXNNYROP-WBVHZDCISA-N 271.404 3.757 30 20 CHED C#CCOc1cccc(NC(=O)CCc2cccc(C)c2)c1 730977481 BOUUZPLEWPYJRF-UHFFFAOYSA-N 293.366 3.578 30 20 CHED N#CCc1ccc(C(=O)OC[C@@H]2CCCCC2(F)F)cc1 837600111 BUYXFDYNXBQYNN-AWEZNQCLSA-N 293.313 3.735 30 20 CHED C=C(CC)COC(=O)c1ccsc1Br 835662517 YYFQAJSUOOYMJU-UHFFFAOYSA-N 275.167 3.634 30 20 CHED CC(C)(C)OC(=O)CCSCc1ccc(C#N)s1 581380442 ULCXRKJXZGFPFV-UHFFFAOYSA-N 283.418 3.585 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C3CC3)nn2CC)n1 903711099 QVUNMKMTPMDCMQ-UHFFFAOYSA-N 286.379 3.684 30 20 CHED C#CC(C)(C)NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 733883682 YCIWRHVVASIJBW-KHPPLWFESA-N 295.304 3.637 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C/c1nc(C)c(C)[nH]1)CC2 901525146 TWPBDIFGSGCOPH-MDWZMJQESA-N 298.411 3.961 30 20 CHED C=C[C@@H](CC(=O)Nc1nccn1C1CC1)c1ccccc1 839940748 LGXLTTQVQKVLAY-ZDUSSCGKSA-N 281.359 3.516 30 20 CHED N#CCCCC(=O)OCc1cc(Cl)sc1Cl 835980509 XSVVRAILZDYVHC-UHFFFAOYSA-N 278.160 3.792 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2ccc3[nH]ccc3c2)c1 730855567 BBGDLYFLQNJWDZ-UHFFFAOYSA-N 294.285 3.536 30 20 CHED CC[C@@H](CC(C)C)C(=O)OCC(C)(C)CCC#N 835386066 HNMWCWXNKOZCLL-ZDUSSCGKSA-N 253.386 3.932 30 20 CHED CCc1nc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)o1 589949137 FSQUKJSKFSLTFC-MRXNPFEDSA-N 295.386 3.584 30 20 CHED C=CCCCCN[C@@H](C)c1ccc2nc(O)oc2c1 671761047 KAMARNUPZNGAEW-NSHDSACASA-N 260.337 3.540 30 20 CHED C[C@]1(NCc2ccc(C#N)cc2)CCCc2ccccc21 580296176 JFONBSNTCJEYMU-IBGZPJMESA-N 276.383 3.900 30 20 CHED O=C1/C(=C\c2cnc(C3CCC3)s2)Cc2cccc(O)c21 834444924 XQUGYOLCCPEKKA-WQLSENKSSA-N 297.379 3.939 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)c1cncc(F)c1 839081264 XIHKWRALXNUXTD-NSHDSACASA-N 263.312 3.593 30 20 CHED CC(C)(CC#N)CNCc1ccccc1N1CCCCC1 839164072 XTAUESIMDRSJBZ-UHFFFAOYSA-N 285.435 3.706 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2ccncc2)c(C)c1 916135961 AXAMQYJQJSQBDN-SNAWJCMRSA-N 251.329 3.903 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)cc2)c(C(C)C)n1 835145332 PDXMKLPARXEFBE-UHFFFAOYSA-N 294.354 3.742 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H]2NCC[C@@H]2C1 831706085 PUKRGCPNSBNBGR-IAGOWNOFSA-N 294.483 3.728 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839057660 PNUMWIFXLFOHFW-QWHCGFSZSA-N 282.343 3.716 30 20 CHED COc1ccc(/C=C2\Cc3c(F)ccc(F)c3C2=O)cc1 749587656 DIRBNKRNLIOJKE-DHZHZOJOSA-N 286.277 3.796 30 20 CHED Cc1ccc(N(C)C(=O)/C=C\c2ccccc2C#N)c(C)c1 917812871 ARAMHJZQCOVARB-LUAWRHEFSA-N 290.366 3.851 30 20 CHED CC(F)(F)c1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1 597900674 PKNWICFJZRDHJB-LBPRGKRZSA-N 292.329 3.564 30 20 CHED COCCC1(C(=O)OCCC2(C#N)CCCCC2)CCC1 840294686 QBBMFCWIWGULPQ-UHFFFAOYSA-N 293.407 3.601 30 20 CHED C[C@H](CCC#N)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 591012296 MDWZHNAMTUKVSP-NXHRZFHOSA-N 286.419 3.778 30 20 CHED CC(=NN=C(c1ccccc1)c1ccccc1)[C@@H]1CCOC1 741756810 JLCGJZBBBRZRIZ-GOSISDBHSA-N 292.382 3.936 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2cccc(C3CCC3)c2)C1 597904397 QMOWIRVGDIRYOZ-CQSZACIVSA-N 282.387 3.720 30 20 CHED CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(O)c1 743495398 FEGUQMLEXOMVAV-ZDUSSCGKSA-N 296.370 3.513 30 20 CHED C/C(=C\c1ccco1)C(=O)OCC(C)(C)CCC#N 847702783 UPFHEPMTTXFYRJ-ZRDIBKRKSA-N 261.321 3.556 30 20 CHED Cc1nc2c(n1CCC1(C#N)CCCCC1)CCCC2 596287025 YBQMDJPHPGUOCD-UHFFFAOYSA-N 271.408 3.935 30 20 CHED Clc1cccc(NN=Cc2ccc3c(c2)OCCO3)c1 916269386 KZNPKGCEJURWRM-UHFFFAOYSA-N 288.734 3.557 30 20 CHED N#Cc1cnc(Nc2ccc(N3CCCCC3)cc2)c(F)c1 840233985 LUTUQUKOJQDEIC-UHFFFAOYSA-N 296.349 3.826 30 20 CHED CC(C)OCCON=C[C@@]1(C)C[C@@H]1c1ccccc1 841642347 OIFISKDXYZYSOB-HZPDHXFCSA-N 261.365 3.608 30 20 CHED CO[C@@H](c1ccccc1F)[C@H](C)Nc1nc(C#N)ccc1C 596185592 OBFQQUDYVYBFMY-BLLLJJGKSA-N 299.349 3.589 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1cccs1)C(C)(C)CO 912190149 DKGFZFJCWLUKFF-CQSZACIVSA-N 295.448 3.526 30 20 CHED C#C[C@@H](OC(=O)[C@H]1CCCC(F)(F)C1)c1ccc(F)cc1 842408109 RTASLRHMTYNOEO-GXTWGEPZSA-N 296.288 3.869 30 20 CHED C=C(C)CONC(=O)NC1(c2ccc(Cl)cc2)CCC1 845595587 JVXGMUDXPKWJSQ-UHFFFAOYSA-N 294.782 3.526 30 20 CHED CCC[C@@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 597371871 LMVZZXGXAPTQMQ-OAHLLOKOSA-N 276.424 3.889 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2cccc(C#N)n2)C1(C)C 591103753 CSCGRVBJEOWREI-CYBMUJFWSA-N 299.418 3.630 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(OCC#N)c2)C1 749795094 SNFYGJLOSHATMK-UONOGXRCSA-N 286.375 3.744 30 20 CHED C/C(=C\C(=O)N(C)c1cccc(C#N)c1)C(C)(C)C 742582076 DSYGWIOCRFEBHJ-FMIVXFBMSA-N 256.349 3.513 30 20 CHED Cc1cc2cc(C=NOCc3cccnc3)oc2cc1C 746576615 LRSPINJKJYGWFZ-UHFFFAOYSA-N 280.327 3.995 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@H](CC#N)C2)o1 597173609 KXHIBCOPOLCXSH-UMVBOHGHSA-N 258.365 3.529 30 20 CHED C#CCCCNC(=O)N(C)Cc1c(Cl)cccc1Cl 743690366 BCTJNFZJWVQPDV-UHFFFAOYSA-N 299.201 3.548 30 20 CHED CC(C)(CC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597912231 SZBWYUKDUOGKHF-HNNXBMFYSA-N 284.403 3.507 30 20 CHED CC(C)[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@@H]1C(C)C 597726157 CFJIWZSYVKBPFM-DOTOQJQBSA-N 290.451 3.990 30 20 CHED CC(C)(C)[C@@H]1CCN(c2nc(C#N)c(Cl)s2)C1 596195558 SGAXLJAIRVHXHM-MRVPVSSYSA-N 269.801 3.541 30 20 CHED O=[N+]([O-])c1ccccc1NN=C/C=C/c1ccc(F)cc1 747737072 UGLXYFVCCMRMOD-SUAIPXQRSA-N 285.278 3.845 30 20 CHED COc1ccc(/C=C/C(=O)c2ccsc2)cc1C 749104899 OXGQUYJFOSPGHU-HWKANZROSA-N 258.342 3.961 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccccc1C 742261079 PVXFSEYZUZNQFS-UHFFFAOYSA-N 269.319 3.758 30 20 CHED C[C@@H](CC(=O)NCc1cc(C#N)ccc1F)CC(C)(C)C 742733741 SRCBQXLVNWBSMQ-LBPRGKRZSA-N 290.382 3.776 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](CC#N)C1 597910067 VAZKNBNFEZWGIW-JKSUJKDBSA-N 284.403 3.641 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)C1CCC1)c1ccccc1 681668079 TVPCRMRCPVSJPQ-CZUORRHYSA-N 257.377 3.651 30 20 CHED CC(C)=CCOc1cccc(C(=O)N(C2CC2)[C@@H](C)C#N)c1 598129343 UIVCVCXLCDTIOQ-AWEZNQCLSA-N 298.386 3.548 30 20 CHED C=CCCCOC(=O)[C@@H](C)CCc1ccccc1F 745576989 QPGNQOKAYUUBRD-ZDUSSCGKSA-N 264.340 3.904 30 20 CHED Cc1ccc(NN=C2C[C@H](C)Sc3sccc32)nn1 743439875 PXXCLVWJLCWDKD-VIFPVBQESA-N 290.417 3.547 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 925415845 UYUZLDGWRMZRDP-HOCLYGCPSA-N 299.418 3.786 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1sccc1O 756620303 DIFPEXFZVIQETA-XQRVVYSFSA-N 281.336 3.898 30 20 CHED Cc1cc(-c2noc([C@H](C)ON=CC3CC3)n2)ccc1F 853735377 SHQSFNYYEBZTPQ-JTQLQIEISA-N 289.310 3.658 30 20 CHED C=C[C@H](OC(=O)CCCOC(C)C)c1ccccc1 851452734 WFKZVDIHQSYDTO-HNNXBMFYSA-N 262.349 3.662 30 20 CHED COc1ccc(NN=C2CCc3ccccc3C2)cc1 750920746 BDQUONSYUWOPJE-UHFFFAOYSA-N 266.344 3.652 30 20 CHED C=CCc1cc(CN2CCC[C@@H](C)CC2)c(O)c(OC)c1 754720198 MIYINHYTGWGZEQ-CQSZACIVSA-N 289.419 3.751 30 20 CHED Oc1nncc(NN=C2CCC(=C3CCC3)CC2)c1Cl 853284128 QPCFGOCNPBAERO-UHFFFAOYSA-N 292.770 3.658 30 20 CHED Cc1c(C(=O)OCCCCC#N)cccc1-c1ccccn1 755019702 ZPWLDSJRAJDBBO-UHFFFAOYSA-N 294.354 3.908 30 20 CHED C=CCC1(C(=O)Nc2ncc(-c3ccccc3)[nH]2)CCC1 682929434 KEXRMSSRYWRIRK-UHFFFAOYSA-N 281.359 3.762 30 20 CHED Fc1c(C=NOCCC(F)(F)F)cccc1OC1CC1 853335462 WBFFBEZUYZISBD-UHFFFAOYSA-N 291.244 3.670 30 20 CHED CC(=NNc1ccc(C)cn1)c1ccc2c(c1)CCCO2 853301130 REEGZRFYRTUMJZ-UHFFFAOYSA-N 281.359 3.551 30 20 CHED CCn1c(C)cc(C(=O)O[C@@H](C)CC(C)(C)C#N)c1C 851214437 ZMSLWHHSOWIPQL-LBPRGKRZSA-N 276.380 3.610 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(F)cc2F)c1 759665437 OXMBNDHXHRWHBJ-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C#CC1CCC(=NNc2nc3ccccc3s2)CC1 853256743 ZTICRCGRZJNHKU-UHFFFAOYSA-N 269.373 3.888 30 20 CHED CCN(Cn1c(=S)oc2ccc(Cl)cc21)[C@H](C)C#N 853582629 SJMKYXSMWGEESH-SECBINFHSA-N 295.795 3.809 30 20 CHED C#C[C@@H](CC)NC(=O)c1cccc(NCC(C)(C)C)c1C 754357955 RFLLMZHJUMAUHX-AWEZNQCLSA-N 286.419 3.595 30 20 CHED C=CCN(C(=O)Nc1c(C(C)C)nc2ccccn12)C1CC1 933758480 BRVXWFYPNQMMNM-UHFFFAOYSA-N 298.390 3.640 30 20 CHED C#C[C@H](CC)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 754389769 JXPPAHBIOQDJID-ZWNOBZJWSA-N 298.213 3.700 30 20 CHED CC1(CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)CC1 759462836 PNTMOWUXUZQNDL-LBPRGKRZSA-N 297.383 3.572 30 20 CHED COc1cc(/C=C2/CCCC(C)(C)C2=O)cc(OC)c1 757533437 CPBCVYNFARKXKW-JYRVWZFOSA-N 274.360 3.866 30 20 CHED C=CCCC(=O)COC(=O)c1csc2c1CC[C@@H](C)C2 761339168 RMKVQCLPHMZJAX-LLVKDONJSA-N 292.400 3.565 30 20 CHED C=C1CCN(C(=O)Nc2cc(F)ccc2Cl)CC1 864252565 ASVAPOFNQJHXJU-UHFFFAOYSA-N 268.719 3.663 30 20 CHED C#C[C@@H](C)N(C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 769975424 GBFZJVPEASNYAN-CQSZACIVSA-N 297.398 3.678 30 20 CHED Clc1ccc(C=NNC2CCCC2)c2ncccc12 760249467 VTOZOTZORXKYPM-UHFFFAOYSA-N 273.767 3.754 30 20 CHED C#CCCc1noc([C@@H](C)Oc2cc(C)ccc2Cl)n1 762000383 DIFOWYSWVYAFIB-LLVKDONJSA-N 290.750 3.737 30 20 CHED CC(C)=CCC/C(C)=C/C=NNc1ncc(F)cn1 760262412 LMLRODREVWKEDU-DKQWYUGSSA-N 262.332 3.706 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 863197873 YFQDPZRKPDAEHO-KADSFNECSA-N 268.360 3.830 30 20 CHED CC(=NNc1c(C)cccc1F)c1cnccc1C 769827626 GGASIPZJWYKOHN-UHFFFAOYSA-N 257.312 3.674 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H](c2ccccc2OC)C1 933284458 IEMIWNKCUUPSDW-GJZGRUSLSA-N 287.403 3.613 30 20 CHED C=CCCCOC(=O)c1cnn([C@H](C)CC)c1C1CC1 760634366 RLFBPGAKMCKCLF-GFCCVEGCSA-N 276.380 3.855 30 20 CHED COc1cc(F)ccc1NN=Cc1ccsc1Cl 761885622 WDWJWCZQRAJBLI-UHFFFAOYSA-N 284.743 3.995 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1nc2ccccc2o1 860197999 LZLRBTKZKKZJPO-LLVKDONJSA-N 286.331 3.762 30 20 CHED C=CC[C@H](OC(=O)[C@@H](OCC)C1CC1)c1ccccc1 860678242 XBDVFOJOHIAYKD-HOTGVXAUSA-N 274.360 3.662 30 20 CHED C#CCCCCN[C@H]1C[C@@H](c2ccccc2)C1(C)C 766329076 IOTOIZSXEWCXBF-IRXDYDNUSA-N 255.405 3.962 30 20 CHED CC(C)[C@@H](C#N)OC(=O)Cc1cc(Cl)cc(Cl)c1 860519115 WSFGNNACUJSCID-GFCCVEGCSA-N 286.158 3.627 30 20 CHED COc1ccc(C(C)=NNc2cccc(C#N)c2)cc1F 767363042 QHKHMTAOSODKDP-UHFFFAOYSA-N 283.306 3.542 30 20 CHED Cc1ccc2ccccc2c1COC(=O)C(C)(C)C#N 767288593 RNHCBYBWQQSPHE-UHFFFAOYSA-N 267.328 3.741 30 20 CHED CC(C)(C)C1CCC(=NNc2ncc(F)cn2)CC1 760263478 UZZDRSBOVCETSF-UHFFFAOYSA-N 264.348 3.620 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)O[C@H](C#N)C1CCCCC1 769184242 QRHWJORPAUQOHC-BPLDGKMQSA-N 263.381 3.828 30 20 CHED CC(C)(C#N)COC(=O)c1cc(Cl)cc(Cl)c1F 870277073 ROWLHESCFXFKMB-UHFFFAOYSA-N 290.121 3.839 30 20 CHED C#C[C@@H](Cc1ccccc1)OC(=O)c1cc2ccsc2[nH]1 773836454 NXEONVRFXYRBHL-AWEZNQCLSA-N 295.363 3.631 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 878142854 NRNGYKGFCZQHFC-UHFFFAOYSA-N 282.387 3.652 30 20 CHED C=CCN(C)Cc1c(-c2ccccc2)nc2sccn12 778164346 BQHYRZGIOWSVPK-UHFFFAOYSA-N 283.400 3.681 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)/C=C/c1ccccc1C#N 772907140 BGVDGSVRZLISJA-LHNRBYRGSA-N 296.414 3.999 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1CCCc2cnn(C(C)C)c21 1118530343 NYJQBQCUDXXXKT-HNNXBMFYSA-N 295.390 3.529 30 20 CHED C#CCOc1cccc(Cl)c1CNc1cnccc1C 777733410 LRFHCLKWTHRTOR-UHFFFAOYSA-N 286.762 3.668 30 20 CHED CCC(=NOC1CCOCC1)c1c(F)cccc1Cl 774431900 KHPXWICZHMQTBY-UHFFFAOYSA-N 285.746 3.789 30 20 CHED C#CCCCCCC(=O)NC[C@H](C)c1cccc(C)c1 779917906 LTSDTNNXQGIEGZ-INIZCTEOSA-N 271.404 3.798 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC/C=C\C1CC1 1117751280 PHDYXJAKVRFSRM-DDKKJVIOSA-N 266.388 3.882 30 20 CHED c1ccc2c(c1)CCCCC(=NOC1CCOCC1)C2 872367177 RALFPNLQLWMKEO-UHFFFAOYSA-N 273.376 3.507 30 20 CHED C=CC[C@H](NCCc1ccc(C)cc1)c1ccncc1 877046717 RHWZWCJLCXXAHL-SFHVURJKSA-N 266.388 3.840 30 20 CHED FC(F)(F)CCON=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 777459757 LJZJLMHAIIRMOK-ZNSHCXBVSA-N 261.287 3.768 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@H]2c2ccc(Cl)cc2)n1 881793424 MSWBKTKZONRYOY-HNNXBMFYSA-N 298.777 3.652 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(F)F)cc1 885586141 GLHPLTJQEFTCJZ-STQMWFEESA-N 281.302 3.544 30 20 CHED O=C(/C=C/c1ccccc1F)c1ccnc(Cl)c1 779461401 ZXGKDCTUODPZNX-AATRIKPKSA-N 261.683 3.770 30 20 CHED Cc1ccc2nc(/C=C/C(=O)C3CCCCC3)cn2c1 789130091 KNFOXMMRNGDOOF-CMDGGOBGSA-N 268.360 3.805 30 20 CHED CCCCCCON=Cc1c(C)nc2sccn12 783557158 QYNKBISDXUJTHC-UHFFFAOYSA-N 265.382 3.635 30 20 CHED COc1ccc(OC(=O)CC(C)(C)C#N)c(C(C)(C)C)c1 781870255 AUAHGCICLPUVPQ-UHFFFAOYSA-N 289.375 3.838 30 20 CHED CCCCCCCC(=O)N1CCC(C(=O)OC(C)C)CC1 899576634 RQOSTZFCTWMXJT-UHFFFAOYSA-N 297.439 3.537 30 20 CHED C#C[C@@H](OC(=O)Cc1sc(C)nc1C)c1ccc(C)cc1 893251894 YLQFRSDSXQEMIS-OAHLLOKOSA-N 299.395 3.529 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H]1c1ccccc1 780375316 YCMFVVMUPYBPQF-MRXNPFEDSA-N 255.361 3.544 30 20 CHED C#Cc1cncc(-c2noc(/C=C(\C)C(C)(C)C)n2)c1 896557298 SZUGUXKLLZAAMX-YRNVUSSQSA-N 267.332 3.562 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCCc2nc(C#N)ccc21 892399208 CJMHCVXZUJOWIK-ZDUSSCGKSA-N 299.418 3.695 30 20 CHED Cc1cccc(NN=Cc2cc(C)nc(Cl)c2)c1 788698506 CXVCOEXXRVVJAW-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C#CCCCCCC(=O)OCc1cccc(Cl)c1 780255613 UHZPNVSPOBAEKM-UHFFFAOYSA-N 264.752 3.967 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(F)ccc1C 187514131 HEODQXOUSRJIDK-UHFFFAOYSA-N 276.355 3.679 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 390780515 RREHZBZALPEEPD-SCTDSRPQSA-N 286.463 3.841 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cc(Br)ncc1F 273902235 WAPTZJSFYFJCTE-DTWKUNHWSA-N 287.176 3.598 30 20 CHED COCC[C@@H]1CCCC1=NNc1cc(F)c(F)c(F)c1 799881214 JAZITRWMBWKSLA-VIFPVBQESA-N 286.297 3.708 30 20 CHED CC(CCc1ccc(F)cc1F)=NOCC(F)(F)F 794920657 RTHQZMNDYYBIGA-UHFFFAOYSA-N 281.224 3.852 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(C)oc2C)c1 103028514 NAEJSWRAVIVUNU-UHFFFAOYSA-N 267.328 3.544 30 20 CHED CC(=NNc1ncc(F)cn1)[C@H](C)c1ccc(Cl)cc1 794523536 IQYDNDNTKBUXFG-VIFPVBQESA-N 292.745 3.861 30 20 CHED C=CCN(CCOC)C(=S)Nc1ccc(C(C)C)cc1 790344285 PRRBSKXYOJPBCC-UHFFFAOYSA-N 292.448 3.641 30 20 CHED N#CC[C@@H](CC(=O)O[C@@H]1C=CCCC1)c1ccccc1 795982756 QVJQLRIBEFCQRK-JKSUJKDBSA-N 269.344 3.726 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2c(C)cccc2F)[C@H]1C 794533967 CQDDQZIOGBGSTO-NWDGAFQWSA-N 292.354 3.511 30 20 CHED Cc1ccccc1-n1nccc1C=NNc1ccccc1 794444561 DRXOLWLPPDTMSQ-UHFFFAOYSA-N 276.343 3.627 30 20 CHED CCOc1ccccc1C=NNCC1(C)CCCC1 793082060 UVWVKVYDKOWHSR-UHFFFAOYSA-N 260.381 3.589 30 20 CHED Cc1c(C(=O)/C=C\c2ccc3c(c2)CCCC3)cnn1C 792890953 RIGSFJQOWBLRAG-NTMALXAHSA-N 280.371 3.503 30 20 CHED FC(F)C1CCC(=NNc2nncc3ccccc23)CC1 799466626 KMRFBULXHASQTQ-UHFFFAOYSA-N 290.317 3.853 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCc2ccc(O)cc21 794960226 OQIVILLNYONXJD-UKTHLTGXSA-N 295.294 3.513 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NNc1cccc(F)n1 795009928 PNBFTCLHLNQNNS-UHFFFAOYSA-N 299.349 3.727 30 20 CHED Cc1ccc(C[C@@H](C)N[C@H](C)CC(C)(C)C#N)s1 695811112 OCLFQKAKYVKZFJ-VXGBXAGGSA-N 264.438 3.906 30 20 CHED CCCCCCCCCN1CC[C@@H](N2CCCC2)C1 792219385 YLAIJDZGMCLPOZ-QGZVFWFLSA-N 266.473 3.907 30 20 CHED Cc1ccc2[nH]c(C(=O)N(C)[C@@H](C)CC#N)c(Cl)c2c1 1318256671 MVCFUDUWRNOCMW-JTQLQIEISA-N 289.766 3.504 30 20 CHED COC[C@@H](Sc1ncc(C#N)cc1F)c1ccccc1 1164270885 OMSDYWDVQVNHLA-CQSZACIVSA-N 288.347 3.572 30 20 CHED CC(=O)c1ccc(COc2ccc(C#N)c(C)c2)cc1 1643894716 NOCVWSUSNWLFTK-UHFFFAOYSA-N 265.312 3.648 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccnc2N(C)C)c(C)c1 1322876599 XNBRBFPZQXRCKQ-CSKARUKUSA-N 280.371 3.661 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnn(C2CCCC2)c1C 1324592950 FKZQODGUGZTFAC-UHFFFAOYSA-N 289.423 3.639 30 20 CHED C[C@H]1CC[C@H](c2nnc(-c3cccc(C#N)c3)o2)CC1 1327000653 LYZLTBMQUMPPSK-AULYBMBSSA-N 267.332 3.902 30 20 CHED CC(C)C1(C)CCN(C(=O)c2csc(C#N)c2)CC1 1324487025 CFWJIWIDJDCEJK-UHFFFAOYSA-N 276.405 3.518 30 20 CHED CC(C)(C)c1cccc(C(=O)Nc2cccc(C#N)n2)c1 1188969890 IQQLJPWCVPCTNX-UHFFFAOYSA-N 279.343 3.503 30 20 CHED Cc1ccc(C[C@@H](C)Nc2cccc(C#N)c2)cc1 1652080624 UITPOBVDKCUQHJ-CQSZACIVSA-N 250.345 3.910 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc2cc(OC)ccc2c1 1321242151 UTYLGPKUKAWWFJ-SUMWQHHRSA-N 285.387 3.700 30 20 CHED N#Cc1nc(NC[C@H]2CCc3ccccc3C2)ccc1Cl 1185958597 WUFPBFMBDXRDTI-LBPRGKRZSA-N 297.789 3.824 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@H]2CCC2CCCCC2)n1 1185784510 CYCLRAZCROFTDJ-KRWDZBQOSA-N 298.434 3.986 30 20 CHED C=C1CCC(C(=O)N(C)Cc2cc(F)cc(F)c2)CC1 1333518043 LJAXWASOQOSJPI-UHFFFAOYSA-N 279.330 3.670 30 20 CHED COC1([C@H](C)Nc2ccc(OCC#N)cc2)CCCCC1 1261389291 HQBVZRTUEAFAHM-AWEZNQCLSA-N 288.391 3.739 30 20 CHED COc1cc(O)ccc1/C=C1/C(=O)c2ccccc2[C@@H]1C 1346995765 JQKRGUNPGOWQCR-UJFYRASASA-N 280.323 3.784 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1Nc1cccc(CC#N)n1 1345067317 NZOOMRNNXSGNKB-ZIAGYGMSSA-N 257.381 3.774 30 20 CHED C[C@@H]1CCc2sc(C(=O)O[C@H]3CC[C@@H](C#N)C3)cc2C1 1342575302 OAEAZKUUCKGAIM-WZRBSPASSA-N 289.400 3.722 30 20 CHED N#Cc1cccc(NC(=O)c2cc(-c3ccccc3)ccn2)c1 1349164323 CVQLLTZKFPCNKF-UHFFFAOYSA-N 299.333 3.873 30 20 CHED C=C[C@@H](CC)CC(=O)OC[C@@H](C#N)Cc1cccs1 1358220084 OIAWPDIXSBIZCB-QWHCGFSZSA-N 277.389 3.576 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](C#N)CCc1ccccc1 1442748149 LGPSARSBQPOGJO-NXHRZFHOSA-N 298.430 3.701 30 20 CHED N#Cc1ccc(NC[C@H]2CCOc3ccccc32)cc1 108846664 LGMYLQIAIBFQDK-CQSZACIVSA-N 264.328 3.536 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccnn1[C@@H](C)CC 1516051272 LLHDSIXKPCTVAX-HNNXBMFYSA-N 297.402 3.683 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CSC1CC1)c1cccs1 1515586469 CAUKKHMJTLQFKR-YGRLFVJLSA-N 295.429 3.778 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C#N)c1 1523823347 VEBVVWPBWOMXQC-GOEBONIOSA-N 284.403 3.813 30 20 CHED N#Cc1ccc(CCSc2ccc3c(c2)OCCO3)cc1 1458827610 XGPAVIKPPPDZEN-UHFFFAOYSA-N 297.379 3.664 30 20 CHED Cc1ccc(F)c(CN(C)[C@@H](C#N)c2ccccc2)c1 1460027246 XDFMJWVVQBSBOZ-KRWDZBQOSA-N 268.335 3.831 30 20 CHED C=CCN(CC=C)Cc1ccc(-c2ccc(C(=O)O)cc2)o1 1602890977 OQHUNRONTNMMKH-UHFFFAOYSA-N 297.354 3.819 30 20 CHED C=C[C@@H](Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)O 1609272686 WRIWTBYCMRMZGV-OAHLLOKOSA-N 287.290 3.669 30 20 CHED N#Cc1ccccc1COc1ccc2cc(C(=O)O)oc2c1 1610633101 XZCNXUVDYXFHOL-UHFFFAOYSA-N 293.278 3.582 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cc(C)cc(C#N)c1 1625598615 MOWWEHOUEFTMIT-UHFFFAOYSA-N 273.380 3.957 30 20 CHED N#Cc1ccc(F)c(CNc2ccc(F)c(F)c2)c1 20050338 YHBXMQPBJUJFSL-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)[C@H](C#N)CCc1ccccc1 1566319940 UUFMLTYCUCNDTF-DLBZAZTESA-N 298.430 3.844 30 20 CHED CC(=O)c1cccc(OCc2cc(C#N)ccc2F)c1F 1641392085 UDEHOPNXRBAQQE-UHFFFAOYSA-N 287.265 3.618 30 20 CHED CCCCCCCCCNC(=O)[C@H](C(=O)O)C(C)(C)C 1573841541 UPZITBCGRRXEEY-CYBMUJFWSA-N 285.428 3.600 30 20 CHED N#Cc1cc2c(nc1OCc1ccccc1F)CCCCC2 1653030323 PCUGTUGWAKPONH-UHFFFAOYSA-N 296.345 3.940 30 20 CHED CCC(CC)(CC)C(=O)Nc1cc(C#N)ccc1F 1584674395 IEOKIVYWSGIECE-UHFFFAOYSA-N 262.328 3.852 30 20 CHED C=C(C)C[C@@H](NCc1ccc(C2CC2)c(C2CC2)c1)C(=O)O 1588554198 ZQJDLGSONHOWJN-GOSISDBHSA-N 299.414 3.950 30 20 CHED CCc1ccc(CC)c(NC(=O)N2CCC[C@H](C#N)C2)c1 1659546810 IXQIITFSYNODCF-CQSZACIVSA-N 285.391 3.579 30 20 CHED CC(C)(C)C[C@H]1CCN(c2ccnc(C#N)c2)C1(C)C 1655669983 PPBJFMMISMTDRX-CYBMUJFWSA-N 271.408 3.994 30 20 CHED CC[C@H](CC#N)N[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 1664167134 SRPKWSWFJRSROK-FVQBIDKESA-N 272.392 3.514 30 20 CHED C=CCCCCCCCNc1ccc(C(=O)O)cn1 1776172839 OEYVAQWIKSCYFN-UHFFFAOYSA-N 262.353 3.718 30 20 CHED C=CCCC1(CNc2cc(C(=O)O)ccn2)CCCC1 1776170400 HFINBHOAUNHENP-UHFFFAOYSA-N 274.364 3.718 30 20 CHED Cc1ccc(C=NN[C@@H]2CCCCC2(C)C)c(C(=O)O)c1 1776056890 WKWWHZQALDOMAL-OAHLLOKOSA-N 288.391 3.586 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(=O)O)s2)oc1C 1777418508 QIVDHELRCKMZSG-HYXAFXHYSA-N 276.313 3.552 30 20 CHED CCOc1ccc(CNc2ccc(C#N)cc2)cc1 19950717 QDOBUSVLODVTSL-UHFFFAOYSA-N 252.317 3.569 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@@H](C#N)c1ccccc1F 161305685 QCWUNWSZIRYCDJ-DOMZBBRYSA-N 276.355 3.723 30 20 CHED C=CCOc1ccc(CNCc2cccc(F)c2)cc1 20473313 NPWLWTXRTBQHPU-UHFFFAOYSA-N 271.335 3.680 30 20 CHED C=CC[C@@H](C)NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 152254203 MTWZEGFODLNXOR-SECBINFHSA-N 276.767 3.824 30 20 CHED N#CCC[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1 153122610 YKCVNJAYAIBJHW-INIZCTEOSA-N 282.318 3.601 30 20 CHED C=CCN(C(=O)c1cc(C(C)C)on1)c1ccccc1 153273296 FHRFWINZHRUSOK-UHFFFAOYSA-N 270.332 3.631 30 20 CHED C#CCCCCNC(=O)c1cccc2c3c([nH]c12)CCCC3 156517616 ZOAPIGUHXLYEMS-UHFFFAOYSA-N 294.398 3.580 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccccc1C#N 154379701 VMXPEJDZTAUQDE-QWHCGFSZSA-N 282.368 3.670 30 20 CHED C=CCN(C)C(=O)Nc1cccc(OCCCC)c1 156840590 UMWIVNAWWWSXJU-UHFFFAOYSA-N 262.353 3.515 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCCO1 154040778 ZBFLCEGRFPLQBA-TVQRCGJNSA-N 284.281 3.556 30 20 CHED Cc1c(C(=O)N(C)[C@H](C)CC#N)oc2ccc(Cl)cc12 264058476 LACZOFSMXRCSPD-SECBINFHSA-N 290.750 3.769 30 20 CHED N#Cc1cc(NC(=O)CCc2cccs2)ccc1Cl 194394442 SYNADQBCHXQDTH-UHFFFAOYSA-N 290.775 3.844 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N(CCC#N)C(C)C 570163102 CHCLHUKCPXARGF-OAHLLOKOSA-N 264.413 3.910 30 20 CHED Cc1nc(NCCSCC(C)C)c(Cl)cc1C#N 360056670 XYIOEITYKXVDRU-UHFFFAOYSA-N 283.828 3.716 30 20 CHED C=CCCCN1CCC2(CCN(Cc3ccccc3)CC2)C1 485491155 MNJGMTSPHOXRKW-UHFFFAOYSA-N 298.474 3.941 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(SC)cc1 599894076 NUDNJAFANHHQLT-GFCCVEGCSA-N 290.432 3.916 30 20 CHED C[C@H](N(C)Cc1ccc(C#N)cc1Cl)C1(C)CC1 385669871 AMKMJZOOTJDIMI-NSHDSACASA-N 262.784 3.832 30 20 CHED C[C@H](NCc1cnc(Cl)s1)c1ccc(C#N)cc1 718213234 YAYKXDORHWXYEB-VIFPVBQESA-N 277.780 3.519 30 20 CHED Cc1ccc(/C=C2\COc3ccccc3C2=O)c(C)c1 7747127 IEYNDNDLCUSUQD-XNTDXEJSSA-N 264.324 3.962 30 20 CHED CCCCCCCCCNC(=O)N1CCC(C#N)CC1 105090583 SFXAEVCVMJVESM-UHFFFAOYSA-N 279.428 3.682 30 20 CHED C=CCn1c(S[C@H](C)CCC)nnc1C1CC1 178408973 WMTVAEWBRVXQEK-SNVBAGLBSA-N 251.399 3.622 30 20 CHED COc1ccc(C(=O)/C=C/c2ccsc2)cc1F 57645232 RABBHRMIPKLNEK-DUXPYHPUSA-N 262.305 3.792 30 20 CHED CCCCCCCNc1ccc(Cl)c(C(N)=O)c1 59451515 DQNQJTGTLJZKEK-UHFFFAOYSA-N 268.788 3.821 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1Cl 176415468 RUMODWVLVHGEIO-DGCLKSJQSA-N 281.783 3.578 30 20 CHED Cc1c([C@@H](C)NC(=O)C2(C#N)CCC2)oc2ccccc12 118966593 BMQYWLVHEMCELB-GFCCVEGCSA-N 282.343 3.612 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C1CCC1 102954188 BIDCXGATYRGKLC-MRXNPFEDSA-N 283.375 3.663 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc(Cl)n1 104547315 FPUNFHYCOFFZDG-UHFFFAOYSA-N 293.798 3.527 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)Cc2cccs2)n1 177770990 HPJZBIKGERPDJE-NSHDSACASA-N 290.413 3.747 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(OC)cc2)c1 172814112 KJOGPFYUSZEMHI-IZZDOVSWSA-N 282.339 3.738 30 20 CHED C#CCCCCC(=O)Oc1ccc2ccccc2c1 119514488 SQCXETHSDZZTBG-UHFFFAOYSA-N 252.313 3.939 30 20 CHED C=C[C@H](CC(=O)OCCCSC)c1ccccc1 179224133 HLSPELXTDHYXBW-CYBMUJFWSA-N 264.390 3.643 30 20 CHED C#CCCCNC(=O)c1ccc(-c2ccccc2Cl)o1 172934127 NYIBGQZDMYRERB-UHFFFAOYSA-N 287.746 3.743 30 20 CHED CCCCNc1nc(-c2ccc(C#N)cc2)cs1 21224840 BXNPHXKESPMLCQ-UHFFFAOYSA-N 257.362 3.894 30 20 CHED C#CCCCCC(=O)Nc1cccc(Br)c1C 119784345 LNXNLQMQYHUQFO-UHFFFAOYSA-N 294.192 3.890 30 20 CHED CC(C)(C#N)CCCN(CCC(F)(F)F)CC1CC1 177166273 XWDIFRKKSFREJO-UHFFFAOYSA-N 276.346 3.981 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1C[C@H]2OCCC[C@@H]12 302551753 KBCFVEPVNYJKRI-IACUBPJLSA-N 296.292 3.556 30 20 CHED C=CCN(CC=C)C(=O)c1cc2c(s1)CCCCC2 301997752 KBTZZJZZFHJCQQ-UHFFFAOYSA-N 275.417 3.831 30 20 CHED C=CCCN(C)Cc1cccc(OC(F)(F)F)c1 467376756 LZYWFEFLFREEGG-UHFFFAOYSA-N 259.271 3.593 30 20 CHED CC[C@H]1CC[C@H](C(=O)NCc2ccc(C#N)c(F)c2)CC1 404573550 MAAGTWVREBITBO-MQMHXKEQSA-N 288.366 3.530 30 20 CHED CCOc1ccccc1C/N=C(/N)Nc1cccc(CC)c1 303771626 CTUKMUGZLUVWFV-UHFFFAOYSA-N 297.402 3.575 30 20 CHED CCS[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)C(C)C 66280658 DKRACKWSTNFUIP-ZDUSSCGKSA-N 296.823 3.928 30 20 CHED C=CCCC(=O)[C@@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 113653582 CZAIXPVHPMIOHO-CZUORRHYSA-N 298.386 3.814 30 20 CHED N#Cc1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)s1 311274932 DUGKVIMORNOYJP-SSDOTTSWSA-N 281.287 3.573 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCc1ccoc1 177258569 JVZZSITZXKLTMS-UHFFFAOYSA-N 275.392 3.807 30 20 CHED CC(C)c1cc(Oc2cc(Cl)ccc2C#N)ncn1 474787963 CEAZCXPCYXKEGD-UHFFFAOYSA-N 273.723 3.917 30 20 CHED Cc1cc(C)cc(N/C(N)=N/Cc2cc(C)c(O)c(C)c2)c1 303877578 ISCSGCFSYJBQOR-UHFFFAOYSA-N 297.402 3.553 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2ccccc2Cl)C1 185803756 IPNIMXVWPCYTSG-JSGCOSHPSA-N 262.784 3.554 30 20 CHED C=C(C)[C@H](NC(=O)CC1CCC1)c1ccc(F)c(F)c1 186057804 SZUKJWIYQCQTHI-INIZCTEOSA-N 279.330 3.888 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccc(OC)cc2nc1C 73419009 YDUNJZLQNOGTSX-UHFFFAOYSA-N 298.386 3.590 30 20 CHED CC(C)(CCC#N)CN1CCC(C(=O)c2ccccc2)CC1 124007702 PTYZQEYTYYMDFK-UHFFFAOYSA-N 298.430 3.911 30 20 CHED C[C@H]1[C@@H](C)SCCN1Cc1ccc(Cl)cc1C#N 187056888 YWTGJPYXAZDPPE-WDEREUQCSA-N 280.824 3.537 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 76709181 XZINYOBBAMNBBK-GJZGRUSLSA-N 296.757 3.954 30 20 CHED C=CC[C@H](C(=O)Nc1cnc(C2CC2)nc1)c1ccccc1 187581357 IBMRDQFYJBKQQF-INIZCTEOSA-N 293.370 3.652 30 20 CHED CC(C)[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 444771983 LPOOXTGWXWMUAN-AWEZNQCLSA-N 260.356 3.565 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ncc(CC)s1 181374401 CCRIGVWFYGAZOI-LBPRGKRZSA-N 295.452 3.592 30 20 CHED CC[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCCO1 313423153 GTYBMJTVMOEESA-CYBMUJFWSA-N 298.308 3.582 30 20 CHED N#CC1(CNCc2nc(-c3ccccc3)cs2)CCC1 418142617 NGKGEHPWKZUVTO-UHFFFAOYSA-N 283.400 3.594 30 20 CHED C=CC[C@H](C(=O)Nc1cc(F)ccc1O)c1ccccc1 187272074 GUQKXZKWWOCCAF-AWEZNQCLSA-N 285.318 3.830 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(F)cc(Cl)cc1F 182918927 XIKKWZYRXKMKIB-SSDOTTSWSA-N 274.698 3.704 30 20 CHED C=CCOCCCC(=O)Nc1nc2ccc(C)cc2s1 79995262 QCYIVOAGOARMCK-UHFFFAOYSA-N 290.388 3.526 30 20 CHED COc1ccc(-c2ccccc2)cc1CN(C)C[C@H](C)C#N 509824949 BHVIMGGWVUXOBP-OAHLLOKOSA-N 294.398 3.954 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C)c(Br)cn1 187989138 GSVXMPMGWNYCHQ-CYBMUJFWSA-N 297.196 3.693 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@H](C)c1ccc(F)cc1F 410831594 ZWGVEEBEXUOBSA-WCQYABFASA-N 294.345 3.609 30 20 CHED CC(C)C(=O)Nc1cccc(OCc2ccccc2C#N)c1 74284782 VWAZTLRFTMMKDF-UHFFFAOYSA-N 294.354 3.732 30 20 CHED C=C(C)[C@@H](NCCOC(C)C)c1ccc(F)c(F)c1 187774555 STWLEXZMHAUIMX-OAHLLOKOSA-N 269.335 3.597 30 20 CHED C=CCC1(C(=O)Nc2cc(F)ccc2OC)CCCC1 410637187 BXAXQZGPNRFTJX-UHFFFAOYSA-N 277.339 3.909 30 20 CHED CC(C)c1ccc2c(c1)CCCN2C(=O)c1c[nH]c(C#N)c1 180735876 ONLFMFBOUGFCAC-UHFFFAOYSA-N 293.370 3.603 30 20 CHED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccnc1 78833029 UONKIZBZPJWQKX-VIFPVBQESA-N 292.264 3.540 30 20 CHED Cc1nn(-c2ccccc2)cc1N[C@H]1CCC[C@H](C#N)C1 185895381 JSDCHMSXINFEDF-GJZGRUSLSA-N 280.375 3.675 30 20 CHED CC[C@H](CC#N)OC(=O)c1coc2cc(C)c(C)cc12 187973122 ZBTPKPFAWWABLB-GFCCVEGCSA-N 271.316 3.899 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(Cl)ccc1Cl 42454326 RPIUDOHIFIJVNP-UHFFFAOYSA-N 286.162 3.761 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc(F)cn1 419012620 FRMNAJXCLPWMKF-OAHLLOKOSA-N 267.307 3.582 30 20 CHED Cn1c(CNc2ccc(C#N)cc2)nc2cc(Cl)ccc21 132858111 BJWHJBXOWOIBFW-UHFFFAOYSA-N 296.761 3.710 30 20 CHED N#Cc1ccc(CSCC[C@H]2CCOC2)c(Cl)c1 419530759 KQZQMKHMXWNMRT-LLVKDONJSA-N 281.808 3.871 30 20 CHED CC(C)CC(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 84692363 UXBFLUQCOJNHOO-CYBMUJFWSA-N 297.402 3.822 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)c1cccc(C#N)c1C 509032492 XSLRYDVHVGWDJD-CQSZACIVSA-N 278.355 3.666 30 20 CHED N#Cc1cccc(N2CC=C(c3ccccc3Cl)CC2)n1 508371370 SBCKJRYMLIFEBX-UHFFFAOYSA-N 295.773 3.900 30 20 CHED CC1(C)CCCN(c2cc(C(F)(F)F)cnc2C#N)C1 413130133 CPMQYADIRAPCEG-UHFFFAOYSA-N 283.297 3.598 30 20 CHED OC1=N[C@H](/C(O)=N/[C@@H]2C[C@H]2C2CCCCC2)CCCC1 329867644 WHCDZPGAXOBTPE-MELADBBJSA-N 278.396 3.811 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CCCC1 530971296 UZLUMNIBSDGTRE-QZTJIDSGSA-N 268.404 3.948 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCc3cc(Cl)ccc32)C1 424120590 HHHUVISEVJDCJE-ZBINZKHDSA-N 260.768 3.609 30 20 CHED COc1ccc(CN[C@@H]2CCCc3sccc32)cc1C#N 87824220 SCFOTMSZFUURMZ-OAHLLOKOSA-N 298.411 3.796 30 20 CHED CCC(CC)CNC(=O)N[C@@H](CCC#N)c1ccccc1 132783598 HMZAENAGYAKQJG-INIZCTEOSA-N 287.407 3.767 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1cn(C)nc1C 195175125 JRZVYLBESUMXFQ-LTCRFSFDSA-N 266.344 3.571 30 20 CHED C[C@H]1CSC(SCc2cn3ccccc3c2C#N)=N1 89522294 WWPJMAFIOKJCOA-JTQLQIEISA-N 287.413 3.535 30 20 CHED CCC[C@H](C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 42062474 XNLCNTVLERZRPQ-LBPRGKRZSA-N 297.320 3.609 30 20 CHED CCN(CC1CC1)c1ccc(C#N)c(Br)c1 228188079 LKFIXQXLPHJLII-UHFFFAOYSA-N 279.181 3.557 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1cccc(C#N)c1 191322396 MMYHNSDPZYDDBL-UHFFFAOYSA-N 279.343 3.551 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C)cc1Cl 191160906 SYPBLKVQLRJDEZ-UHFFFAOYSA-N 251.757 3.687 30 20 CHED C=CCN(C(=O)c1coc(C2CCC2)n1)c1ccccc1 193950669 YGLSKULBAKFEJD-UHFFFAOYSA-N 282.343 3.775 30 20 CHED Cc1ccc2oc(SC/C(O)=N/C3CCCC3)nc2n1 329479224 OYIGLCZFJSFTTM-UHFFFAOYSA-N 291.376 3.522 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)s1 381288601 CJDDFKAHRFDPLT-LPEHRKFASA-N 299.237 3.853 30 20 CHED N#Cc1ccc(NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc1 132437442 AKVFJMAOTPXROQ-KURKYZTESA-N 260.340 3.556 30 20 CHED C#CCCCN[C@H](C)c1ccc(Br)s1 178054597 XRIKEUSKVSDIBT-SECBINFHSA-N 272.211 3.575 30 20 CHED OC1=N[C@H](C2CC2)[C@H](/N=C(/O)c2sccc2Cl)CC1 329132518 YKXNQZGINLKIBJ-MWLCHTKSSA-N 298.795 3.604 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnc(S)[nH]1 193064488 QXUFZKPBNMOSNJ-UHFFFAOYSA-N 283.441 3.521 30 20 CHED COC(=O)c1ccc(Sc2ccc(C)c(C)c2)c(C#N)n1 517724998 FRTISVCWMXTRAA-UHFFFAOYSA-N 298.367 3.508 30 20 CHED CC(C)(C#N)CNc1ncnc2scc(C(C)(C)C)c12 427157737 MRJSBRTYSDMFLA-UHFFFAOYSA-N 288.420 3.950 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1CC#N 335138150 FWBSCRWNOIZLIF-OCCSQVGLSA-N 256.349 3.517 30 20 CHED Cc1c(NC(=O)[C@H]2CC23CCCCC3)ccc(C#N)c1C#N 519135789 DCNIILUDUCRSRN-OAHLLOKOSA-N 293.370 3.647 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1cc(C)ccc1OC 424548486 WBTFEQSFBQFQQG-CYBMUJFWSA-N 275.392 3.783 30 20 CHED C=CCOc1ccccc1CN1CC[C@H]2CCC[C@H]21 428457049 LRQMVCOVTVSQBS-GDBMZVCRSA-N 257.377 3.626 30 20 CHED C=CCCOc1cccc(C(=O)NCc2ccccc2)c1 339094037 JDRGDBYBSCWCML-UHFFFAOYSA-N 281.355 3.572 30 20 CHED N#CC1(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1 334477421 QEMUECSCPGNJOD-UHFFFAOYSA-N 295.361 3.700 30 20 CHED C#CCCCCNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 92959758 FCFANPGDUVEEOY-AWEZNQCLSA-N 291.822 3.828 30 20 CHED Cc1cc(O)ccc1-c1noc(-c2cccc(C#N)c2C)n1 436881320 SBHFFJFVMGJOOD-UHFFFAOYSA-N 291.310 3.598 30 20 CHED Cc1cc2c(N(C)Cc3cccc(C#N)c3)ncnc2s1 90070438 OYGFPCUWJOCZSA-UHFFFAOYSA-N 294.383 3.508 30 20 CHED CC1CCC(CNCc2ccc(N(C)CCC#N)cc2)CC1 236663877 AIVWGJSRNQBYEE-UHFFFAOYSA-N 299.462 3.952 30 20 CHED COc1cc(-c2nc3c(C)ccc(C)c3[nH]2)ccc1C#N 430940861 RVHNRTQVPWZTHF-UHFFFAOYSA-N 277.327 3.727 30 20 CHED C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 336282839 IFXBIFABFHROSO-MFKMUULPSA-N 276.767 3.781 30 20 CHED C[C@@H](NCc1cnc2ccccc2c1)c1cccc(C#N)c1 337176126 IPRRCBFMSUBBLX-CQSZACIVSA-N 287.366 3.957 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(C)nn1C(C)(C)C 336085635 WFXDJYHETMFPMP-ZDUSSCGKSA-N 290.411 3.519 30 20 CHED C[C@@H](C#N)C(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 344097741 VMPZNFBMWJMGFI-QWRGUYRKSA-N 276.767 3.552 30 20 CHED C=CCC[C@H](NCCc1ccn(-c2ccccc2)n1)C1CC1 439006489 XBGHGTPLQJUIKM-IBGZPJMESA-N 295.430 3.749 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCSc3c(F)cccc32)C1 349339460 CXALVOKXHITRNU-JTNHKYCSSA-N 276.380 3.644 30 20 CHED N#CCCCN[C@H]1CCC[C@H]1CCc1ccccc1 346831834 MAFKKSSPOSHKPI-IRXDYDNUSA-N 256.393 3.681 30 20 CHED C=CCOCCCN(Cc1ccco1)Cc1cccs1 347971558 NWSMONKYOBUXDG-UHFFFAOYSA-N 291.416 3.936 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(OCC(F)F)cc1 347453800 VVPJWYQFSUERDP-RJRFIUFISA-N 286.281 3.768 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 435277644 CLFJRJFGBIXNAI-SFHVURJKSA-N 290.366 3.996 30 20 CHED CC(C)(CCC(=O)NCC1(CC#N)CC1)c1ccccc1 431146404 ONRDJXRDPPZCTL-UHFFFAOYSA-N 284.403 3.554 30 20 CHED CN(Cc1ccc(CC#N)cc1)Cc1nc2ccccc2o1 343413715 GNCVFMKLUBRSDT-UHFFFAOYSA-N 291.354 3.526 30 20 CHED N#Cc1ccsc1NC(=O)c1cc2occc2s1 609853250 GBFAFCZMUKNDBQ-UHFFFAOYSA-N 274.326 3.680 30 20 CHED COc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 346088815 VOLDGWWPCWCULO-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=C(C)COc1cccc(NC(=O)N2C[C@H](C)C[C@H]2C)c1 607205028 OCSVSFUDRCIBOX-ZIAGYGMSSA-N 288.391 3.904 30 20 CHED Cc1ccnc(NC[C@@H](C)Cc2cccs2)c1C#N 343506894 GNHASNGMYVVWDT-NSHDSACASA-N 271.389 3.614 30 20 CHED C[C@@H](CCC#N)CN1CCc2cccc(F)c2[C@@H]1C 602468191 JXBZLUHKPGIDEI-STQMWFEESA-N 260.356 3.685 30 20 CHED Fc1ccc(C#CCNc2ccc(F)c(F)c2F)cc1 433430389 JWGSKDYERFSXJI-UHFFFAOYSA-N 279.236 3.707 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(F)cc1 432456237 UPIBBDAUSRYTGR-UHFFFAOYSA-N 250.317 3.550 30 20 CHED CC[C@H](C)[C@@H](CN[C@@H](CCC#N)c1ccccc1)OC 602584032 WJTXTXZHCASCMV-BHYGNILZSA-N 274.408 3.682 30 20 CHED CCOc1ccc(OCC)c(NC[C@@H](C)CCC#N)c1 602489450 LPXATVRQOUJVLP-ZDUSSCGKSA-N 276.380 3.836 30 20 CHED CC(C)(CCC#N)CNC/C=C\c1ccc(F)cc1 342291464 FOTVDLZJSKDBLX-HYXAFXHYSA-N 260.356 3.758 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)Nc1cc(F)cc(Cl)c1 602489183 HXSFBUWKQXWWGZ-NSHDSACASA-N 296.773 3.990 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)CCc1ccc(C#N)cc1 609116782 DGYUCGRQXLQAAD-ZWKOTPCHSA-N 298.430 3.966 30 20 CHED CSc1ccc(C(=O)/C=C\c2csnn2)c(Cl)c1 255053827 MSMPXQVUSIWLQC-DJWKRKHSSA-N 296.804 3.810 30 20 CHED Cc1ccnc(N[C@@H]2CCCc3cc(C#N)ccc32)c1 346247645 WBAUHAYEAWLOHN-MRXNPFEDSA-N 263.344 3.751 30 20 CHED Cc1cccc2c(CCNC[C@@H](C)CCC#N)c[nH]c12 602552137 SZGOBKMWGAMODR-ZDUSSCGKSA-N 269.392 3.548 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(CC#N)c1ccc(F)cc1C 602386301 IRPSIDROFZOJBU-WCQYABFASA-N 276.355 3.673 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 604716725 LMBBFOVSUZNEBU-LSDHHAIUSA-N 281.440 3.642 30 20 CHED O=C(/C=C\c1ccsc1)c1cnn(Cc2ccccc2)c1 255755992 PPQNLANXLIUOSO-SREVYHEPSA-N 294.379 3.889 30 20 CHED C[C@H]1COC[C@@H](c2ccccc2)N1Cc1cccc(C#N)c1 354887919 XEWDSMKKZMMGNA-KXBFYZLASA-N 292.382 3.520 30 20 CHED N#C[C@@H](CCc1ccccc1)c1nc(C2CCC2)no1 601967247 DRYSSJGNKRRQFX-CQSZACIVSA-N 267.332 3.577 30 20 CHED CCCc1sc(C(=O)N[C@H](C#N)CC(C)C)cc1CC 608820504 FGBHJOLAAPGEEG-ZDUSSCGKSA-N 292.448 3.931 30 20 CHED C=CCC(CC=C)c1nc(Cc2csc(CC)n2)no1 356423429 HJYAJMJNTKSTRV-UHFFFAOYSA-N 289.404 3.915 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 609569687 PZWDSIXNUZEFJI-MRXNPFEDSA-N 284.403 3.598 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](c2cccc(F)c2)C1 268142093 CRDAYRKXOSIAHX-INIZCTEOSA-N 287.378 3.910 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1(CC(C)C)CC1 441067437 QSPMOGKIOPNKSE-UHFFFAOYSA-N 256.349 3.632 30 20 CHED CCCOc1cccc(CCNCc2cccc(C#N)c2)c1 532764230 JJOZMXIISFNEOV-UHFFFAOYSA-N 294.398 3.679 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(CCC)on1 448968910 MATBBEKWHVNDRM-UHFFFAOYSA-N 290.407 3.836 30 20 CHED C=C[C@@H]1CCCCN1c1ccnc2c(OC)cccc12 440640078 UZFLQFLRKKSVEC-CYBMUJFWSA-N 268.360 3.788 30 20 CHED C=CCN(Cc1c(C(=O)OCC)oc2ccccc12)C1CC1 357557013 XKODDFFMUYEGDV-UHFFFAOYSA-N 299.370 3.760 30 20 CHED N#Cc1ccc(Sc2sccc2[N+](=O)[O-])cc1 611411792 PNDAZKDJBBMRIH-UHFFFAOYSA-N 262.315 3.679 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 449866667 DXGIDCGGCDSFCO-QAPCUYQASA-N 288.435 3.745 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)NC(C)(C)CC)CCCC1(C)C 444629013 BWRRTXYAPWGLOX-GJZGRUSLSA-N 294.483 3.746 30 20 CHED C=CC[C@H]1N(C(=O)CC2CCC(=O)CC2)CCCC1(C)C 443857376 ITICRNBNPGUHQK-MRXNPFEDSA-N 291.435 3.729 30 20 CHED CC1(C)Cc2cccc(N[C@H](C#N)Cc3ccccc3)c2O1 616033795 ZPEVNAXGWYFKQR-INIZCTEOSA-N 292.382 3.947 30 20 CHED C=CCn1c(C)cc(C(=O)CN(C)[C@@H](C)C2CCC2)c1C 357018698 AZDWODXNYFTJDD-AWEZNQCLSA-N 288.435 3.594 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2CCC(F)(F)C2)c1 359321423 MAZHYWFKGAJNFR-LLVKDONJSA-N 281.302 3.625 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 268804379 ZVOXYAOPLNATTP-MELADBBJSA-N 286.419 3.823 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)C2(CCC2)C1 537186194 LXFYHZLYNDHQRC-CABCVRRESA-N 278.440 3.953 30 20 CHED C=C(CC)CN(CCC)CC(=O)Nc1ccccc1C 537993469 MOTHKGKMUBRAQT-UHFFFAOYSA-N 274.408 3.612 30 20 CHED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)SC2CCC2)CC1 450994032 QXFHITVDAPNZRY-MFOWVQHXSA-N 294.464 3.591 30 20 CHED C#CCCCCC(=O)N1CCC(c2ccc(OC)cc2)CC1 367384686 PZYZRFKNCFFGAN-UHFFFAOYSA-N 299.414 3.595 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(Cl)ccn1 156874827 HZPGIRFUNXLHAQ-UHFFFAOYSA-N 266.772 3.553 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(N2CCCC2)cc1C 454273138 JPNYYMDFIONEHH-UHFFFAOYSA-N 287.407 3.683 30 20 CHED CC[C@@](C)(C#N)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 537858787 SLCMDOORXDWFCL-LRDDRELGSA-N 292.810 3.717 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C)c2ncccc12)OCC 535905853 MUXMIHZPUDZVPS-INIZCTEOSA-N 298.386 3.853 30 20 CHED CC[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612357479 DFYQPULIHFTRGN-MAUKXSAKSA-N 299.418 3.515 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1ccncn1)c1ccc(F)c(F)c1 453199464 QFGMVRSNMHZWPN-MEDUHNTESA-N 289.329 3.723 30 20 CHED CC1(C)C[C@H](Nc2ccc(C#N)nc2)c2ccc(F)cc2O1 360774144 XADDCKFDPKKWGK-HNNXBMFYSA-N 297.333 3.807 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cscc2C)no1 278093263 YTAFRZIGZOEICZ-JTQLQIEISA-N 264.350 3.760 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(F)cc1C(F)(F)F 362678930 GWKZNXXXIUKGHY-ZETCQYMHSA-N 276.233 3.541 30 20 CHED C=CCN(CCc1ccco1)Cc1ncc(C(C)(C)C)o1 272319551 TYXJXFTUALVGOG-UHFFFAOYSA-N 288.391 3.796 30 20 CHED C=CCCO[C@H](C)c1nc(-c2c[nH]c3ccccc23)no1 278334107 ZULVBHMINMKHSR-LLVKDONJSA-N 283.331 3.872 30 20 CHED C=CCCCCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 274597042 OQJMAKAECHZPFC-ZDUSSCGKSA-N 293.407 3.719 30 20 CHED C=C(CC)COc1ccc(Br)cc1[N+](=O)[O-] 540193675 BEKQAERWQJLHAA-UHFFFAOYSA-N 286.125 3.702 30 20 CHED Cc1cc(C)cc(C2(c3noc([C@@]4(C#N)C[C@H]4C)n3)CC2)c1 453304093 FREKSZDMHYUYQB-FZKQIMNGSA-N 293.370 3.568 30 20 CHED C=CCC1(CNC(=O)c2cccc(COC)c2)CCCC1 456488891 SNDIATJMFFAZIU-UHFFFAOYSA-N 287.403 3.699 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc([C@@H](F)c2ccc(Cl)cc2)no1 453186220 TZVMFONTPVADJZ-FDLBOYPASA-N 291.713 3.583 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1ccc([S@@](C)=O)cc1 271478535 JKZRWKGNJHVNPS-FRIZHTMISA-N 279.449 3.819 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(CSC)cc1 276090101 MLJIPWBCINNYTK-UHFFFAOYSA-N 264.394 3.589 30 20 CHED CCN(CC1(C#N)CCC1)[C@H](C)Cc1ccc(OC)cc1 450394690 PZRYRSSFPNHVES-OAHLLOKOSA-N 286.419 3.642 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc2scnc2c1)OCC 270099386 QDSJADJCZFCKEC-ZDUSSCGKSA-N 290.388 3.606 30 20 CHED C=CCC1(NC(=O)N[C@H](C)C(C)(F)F)CCCCC1 455771112 BZIYLVPFGURQSQ-LLVKDONJSA-N 274.355 3.608 30 20 CHED C#CCOc1ccccc1CN[C@H](CCC)c1cccnc1 273530894 WHIVIWOMKNBWFE-GOSISDBHSA-N 294.398 3.725 30 20 CHED CN(Cc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 543138835 JVTOLJHKKVJLEP-UHFFFAOYSA-N 272.298 3.667 30 20 CHED Cc1nc2ccc(-c3noc(C4(C#N)CCC4)n3)cc2s1 273978102 UTWWUHYVAJTKDO-UHFFFAOYSA-N 296.355 3.600 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H]1CCCCS1 541332861 WWIQTQVIHQIDEZ-NSHDSACASA-N 266.797 3.909 30 20 CHED C=CCNC(=O)[C@H](C)Nc1ccc(-c2ccccc2)c(C)c1 547239667 PREBBCOXFUNWHA-HNNXBMFYSA-N 294.398 3.765 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(=Cc2ccccc2F)CC1 274356192 QPJGQNSXSRFKNO-UHFFFAOYSA-N 299.389 3.881 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCCC#N)cc1 273263757 NHOCJXIIDCREOA-CYBMUJFWSA-N 278.783 3.772 30 20 CHED N#Cc1cccc(CNC/C=C\c2ccc(F)cc2F)c1 543631460 MTMQYWSHWUJKRU-DJWKRKHSSA-N 284.309 3.639 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H]1C1CCCC1)OCC 372202872 CEMMJXCMJDHMBZ-CVEARBPZSA-N 279.424 3.539 30 20 CHED C=CCC1(NCc2nc(C(C)C)no2)CCCCC1 625937866 ZQTZHRUXSTUZSN-UHFFFAOYSA-N 263.385 3.562 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1nc(C(C)C)oc1C 288903395 SRDJMPDLNWTHNC-UHFFFAOYSA-N 298.342 3.760 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1ncc[nH]1 375001850 DUZYZJWRJQQKRW-MRXNPFEDSA-N 294.402 3.548 30 20 CHED C[C@H](F)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 377125874 JEQHKVDDRSJYCY-IMJJTQAJSA-N 260.356 3.506 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cc(OC)ncc1F)c1ccccc1 287633385 KMXHFIFTQRFRQQ-SUMWQHHRSA-N 298.361 3.645 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@](C)(C#N)C(C)(C)C 464170786 YCSZBSLDPSSEOW-SWLSCSKDSA-N 252.402 3.503 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](CCC#N)c1ccccc1 281819562 JAUMLKUDWRAHHB-JKSUJKDBSA-N 285.391 3.685 30 20 CHED C[C@@H]1CCN(c2ccc(C#N)cn2)CC12CCCCC2 462697704 WSMJXXYKPOTNGE-CQSZACIVSA-N 269.392 3.750 30 20 CHED CCCc1sc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1CC 464713832 TUOQZXLPVWTVDR-AWEZNQCLSA-N 292.448 3.931 30 20 CHED C=C(C)Cn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1C(C)(C)C 559024520 LICLJGBJJGRKEP-ZIAGYGMSSA-N 290.455 3.634 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(C(F)F)c1 281124452 SPLPTMUMEOWDTH-LBPRGKRZSA-N 253.292 3.709 30 20 CHED C=CCC(C)(C)CN[C@H]1CCC[C@H](c2ccnn2C)C1 550856519 KLQLNBJLKXBYSV-GJZGRUSLSA-N 275.440 3.638 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 293232271 CVHRDXXSMKBTDI-GJZGRUSLSA-N 287.407 3.529 30 20 CHED Cc1nsc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1C#N 807942913 YYNRRVARVQICBW-UHFFFAOYSA-N 295.707 3.677 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C)c1cnccn1 299268799 LYAMQIZIVQVFAQ-AWEZNQCLSA-N 259.397 3.606 30 20 CHED CC(C)c1cc(NC(=O)CCCC#N)n(-c2ccccc2)n1 291405734 DYXIQKAWKXCNDL-UHFFFAOYSA-N 296.374 3.628 30 20 CHED CCC(CC)CN(CCC#N)CC[C@H](O)c1ccccc1 808732452 HRMBZJQQWRCNSM-SFHVURJKSA-N 288.435 3.762 30 20 CHED C=CCOCCCC(=O)NCc1ccc2sccc2c1 291247238 ORRVPTNUACJFQT-UHFFFAOYSA-N 289.400 3.500 30 20 CHED C=CCCC1(C(=O)NCCOc2cccc(Cl)c2)CC1 474899699 UZYCYAWKCMVSQD-UHFFFAOYSA-N 293.794 3.581 30 20 CHED C=CCCCCNC(=O)Nc1ccc2ccn(C)c2c1 473694686 MEUSLLVRYGYJSP-UHFFFAOYSA-N 271.364 3.656 30 20 CHED N#C[C@@]1(C(=O)N[C@H]2CCCc3ccccc32)CC12CCCC2 294248857 FMXGNOARWCAANO-QFBILLFUSA-N 294.398 3.654 30 20 CHED Cc1cc(C)c(C(=O)COc2cc(F)cc(C#N)c2)c(C)c1 390158573 NHEPOFSJVCUUQM-UHFFFAOYSA-N 297.329 3.884 30 20 CHED CCc1ccccc1OCCC(=O)OCCC(C)(C)C#N 803967325 BDTXUZORKLCTOW-UHFFFAOYSA-N 289.375 3.501 30 20 CHED N#C[C@]1(C(=O)Nc2ccc3ncsc3c2)CC12CCCC2 294350788 FXCHFJNTPFQONW-INIZCTEOSA-N 297.383 3.709 30 20 CHED Cc1cccc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)c1 806560227 JTVAPSQSXGPTFJ-IDKBZEPQSA-N 292.334 3.833 30 20 CHED C[C@H](NC(=O)N1CCC(CC#N)CC1)[C@@H]1CCC[C@@H](C)C1 564296259 NNDDQCVGBHBQAD-IJEWVQPXSA-N 291.439 3.536 30 20 CHED C[C@H](NC[C@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 390917019 UUSXMMPEAACDAD-GXTWGEPZSA-N 294.345 3.675 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc(Oc2ccccn2)cc1 808076399 UQHSDQOIUOXPQW-KRWDZBQOSA-N 296.326 3.719 30 20 CHED Cc1csc([C@@H](C#N)C(=O)Cc2ccc(Cl)s2)n1 802033130 ZAIUSGHHQPEDOL-VIFPVBQESA-N 296.804 3.585 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 648802201 YSWQCAXXVFFORO-HIFRSBDPSA-N 257.377 3.808 30 20 CHED C#C[C@H](CC)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 809686007 HZFDATNPGHHDOL-CYBMUJFWSA-N 296.197 3.771 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 397632489 VYHHDODQVFOAPF-GFCCVEGCSA-N 298.308 3.711 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc2[nH]c(C)cc2c1 292197467 AMRJMZIJHAMLSB-UHFFFAOYSA-N 270.376 3.695 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc2occc2c1)OCC 802853850 BJJUDZDPOLUPII-MRXNPFEDSA-N 288.343 3.847 30 20 CHED C=CCC1(C(=O)Nc2cnc(C3CC3)nc2)CCCCC1 648263961 JDQJSYSWHHGKJG-UHFFFAOYSA-N 285.391 3.819 30 20 CHED C=CCCCCSc1nnc(-c2ccncc2)o1 562703347 OPTYAMSDJAUKBM-UHFFFAOYSA-N 261.350 3.580 30 20 CHED Cc1cc(CN(C)Cc2ccc(C#N)c(C)c2)ccc1F 488969305 AYOVQGMTSRFBNJ-UHFFFAOYSA-N 282.362 3.946 30 20 CHED CC(C)(C)[C@@H]1CC(=NNCc2ccc(C#N)cc2)CS1 814881386 NPSQIJWYGGJRKO-HNNXBMFYSA-N 287.432 3.555 30 20 CHED COc1ccccc1CON=C1CCCc2ccc(N)cc21 814924219 XFQVJGAOYNSKTR-UHFFFAOYSA-N 296.370 3.535 30 20 CHED C=CCCCCOC(=O)[C@H]1CCCN1c1ccccc1 811010791 IBJRMPRCQJGAIL-MRXNPFEDSA-N 273.376 3.555 30 20 CHED Fc1cc(NN=Cc2ncc(-c3ccccc3)s2)ccn1 811647464 NUZBINPHKZBCEX-UHFFFAOYSA-N 298.346 3.790 30 20 CHED N#Cc1ccc2c(c1)C(=NNc1c(F)cccc1F)CC2 811644267 WOJDEPGJZAIGSC-UHFFFAOYSA-N 283.281 3.599 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C)C1CC1)c1ccc(Cl)cc1 811949353 VZPCHZODZSWBKC-XHDPSFHLSA-N 275.779 3.567 30 20 CHED Cc1sccc1C=NNc1cccc(F)c1F 814859145 LEJGFQKKESZWQS-UHFFFAOYSA-N 252.289 3.781 30 20 CHED Cc1ccc(NC(=S)NN=C2CCCc3occc32)cc1 814713058 YOLILCORUVGJGJ-UHFFFAOYSA-N 299.399 3.615 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1c(C)cc(C)cc1C 488815758 BHERTYOWWZDHOS-INIZCTEOSA-N 271.404 3.721 30 20 CHED C#C[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cc1 811947606 JLNFBSLCTQYZPF-YPMHNXCESA-N 297.732 3.566 30 20 CHED CCCC(=NNc1ccc(C#N)cc1)c1ccccn1 814803783 YPMDOWLVSGYLMQ-UHFFFAOYSA-N 264.332 3.570 30 20 CHED CC[C@H](CC#N)NCc1csc(-c2ccccc2F)n1 577409453 XZCRFVMESGTOBB-LLVKDONJSA-N 289.379 3.731 30 20 CHED Cc1c(Cl)cnc(N(CCC#N)CC(C)(C)C)c1C#N 577529130 NITPBKLNWUTXNQ-UHFFFAOYSA-N 290.798 3.681 30 20 CHED C[C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)[C@@H]1C 576625807 LBHRVIOZPMYHDA-COCCGSRQSA-N 268.404 3.960 30 20 CHED Cl/C=C/CON=C1CCOc2c(Cl)cccc21 814934102 LOOVWTJODQLYOK-JNHWVYRUSA-N 272.131 3.596 30 20 CHED CC(=O)c1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)cs1 815278454 RZAXQKOXPSKHHK-LLVKDONJSA-N 299.351 3.740 30 20 CHED Fc1ccc(C=NNc2nnc(-c3ccccc3)s2)cc1 814949085 SRVFRFUDLIIEQC-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Clc1cccnc1NN=C1CCCc2sccc21 814810424 LWEZVFHSMWIEQK-UHFFFAOYSA-N 277.780 3.949 30 20 CHED CC(C)c1cnn(Cc2ccccc2C(C)(C)C#N)c1 579472292 LXUISVANQJSESR-UHFFFAOYSA-N 267.376 3.856 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)c1ccc(Cl)s1 488400772 VZOZICJKHCVADL-SNVBAGLBSA-N 294.807 3.880 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 485117131 NHHGYXFHTNQBAA-CQSZACIVSA-N 278.355 3.684 30 20 CHED Cc1c(C=NNC2CC2)sc2c(Cl)cccc12 814903320 CUFKPWGOSYHWHA-UHFFFAOYSA-N 264.781 3.949 30 20 CHED C#CCCCCNC(=O)N1CC[C@H](c2ccccc2)C1(C)C 817777202 SNIXOPANLAJTOS-QGZVFWFLSA-N 298.430 3.768 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(-c2ccccc2)on1 815314539 WSPQOHNLXCIUDF-UHFFFAOYSA-N 293.269 3.596 30 20 CHED CC/C(=C/C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(C)cc1 819631933 HELAVFSNEQCFSG-HQGHZWMDSA-N 282.387 3.597 30 20 CHED CCC(=O)c1cc(Cl)ccc1OC[C@H](C#N)CCC#N 572784641 IIOZDCPKIQYNJU-NSHDSACASA-N 290.750 3.755 30 20 CHED CCc1c(C)sc(NC(=O)C[C@@H](C)CC)c1C#N 485512285 BDPUHWJRMNOSLX-VIFPVBQESA-N 264.394 3.865 30 20 CHED CCN(Cc1ccc(CC(C)C)cc1)C[C@H](C)C#N 725795923 YNFGQGKWUNVRTJ-OAHLLOKOSA-N 258.409 3.867 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@]1(C)CC1(Cl)Cl 824774973 WJNCYYVLXUDLOE-DCAQKATOSA-N 250.213 3.761 30 20 CHED C=C(Br)COC(=O)[C@@H](C)c1ccc(CC)cc1 727915982 FYBUMNMXHGRVQK-NSHDSACASA-N 297.192 3.804 30 20 CHED Cc1ccc([C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)s1 822717073 VOICRAVSOLBKAD-BLLLJJGKSA-N 288.416 3.708 30 20 CHED CCn1nccc1CNc1ccc(OC(C)(C)C)c(C#N)c1 824722319 PWDZNEQQYBCTOT-UHFFFAOYSA-N 298.390 3.564 30 20 CHED CCCCCCCCCN(C)C(=O)/C=C/[C@@H]1CCOC1 822696770 DDXISQDHLRFAOL-SIFUEBAJSA-N 281.440 3.788 30 20 CHED Cc1csc(NC(=O)N2CCC[C@H]2CC(C)C)c1C#N 573741703 SUKCOOXADSZSRQ-LBPRGKRZSA-N 291.420 3.971 30 20 CHED C#Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)CC)nc1 728805528 PPLGIGUTPKPIAX-OAHLLOKOSA-N 292.382 3.504 30 20 CHED C=C(C)COC(=O)C[C@@H](c1ccccc1)C(F)(F)F 728656108 YHLBGJGEUHOHKK-LBPRGKRZSA-N 272.266 3.842 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](c1cccs1)C(C)(C)CO 824469354 YJJQCCOWVCBXJU-DOMZBBRYSA-N 295.448 3.526 30 20 CHED C=CCN(CCc1ccco1)Cc1ccccc1C 491356360 LWQOAHKQRZFPNQ-UHFFFAOYSA-N 255.361 3.819 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1scnc1C1CC1 495077080 CWGHQIUAASSXKR-UHFFFAOYSA-N 283.400 3.524 30 20 CHED C#Cc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cn1 728800215 OBHQXJSMXCNMLT-UHFFFAOYSA-N 278.355 3.613 30 20 CHED Cc1nc(/C=C2/COc3c(cccc3C(C)C)C2=O)[nH]c1C 901486341 CRIHHGPAMIUEST-JYRVWZFOSA-N 296.370 3.809 30 20 CHED CC[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)C(C)C 494297958 KMENHBOPUXTHMV-AWEZNQCLSA-N 266.429 3.847 30 20 CHED CC1=C(C)C[C@@H](C(=O)OCc2ccc(OCC#N)cc2)CC1 829804191 FEKNABHHFSMOHT-INIZCTEOSA-N 299.370 3.769 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccc(C(=O)O)cc1 826081494 VWGKBCLUXJXDNP-UHFFFAOYSA-N 295.338 3.765 30 20 CHED CC(C)(CCC#N)CNc1ccc(OC(F)(F)F)cn1 588844936 PUYMJNKBFSQZCK-UHFFFAOYSA-N 287.285 3.722 30 20 CHED C=CCN(C(=O)Nc1ccc(C)cc1Cl)[C@H](C)COC 665141679 FAUOWRDVKMXTJP-GFCCVEGCSA-N 296.798 3.703 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NC2CCC(F)(F)CC2)C1 664545947 FZNWABGAAWNSFX-GFCCVEGCSA-N 286.366 3.562 30 20 CHED C=CCCCC[C@H](C)NC[C@](C)(O)c1cccs1 823904303 AEMMSIAJAWKSOZ-ZFWWWQNUSA-N 267.438 3.680 30 20 CHED O=C(C#Cc1cccs1)N(CC1CC1)C1CCCCC1 825664984 LVITZMMBXXXWEX-UHFFFAOYSA-N 287.428 3.671 30 20 CHED N#CC1(CCCCSC2=NCCS2)CCC1 901378793 YSMNYAOZNFDWEI-UHFFFAOYSA-N 254.424 3.687 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(/C=C/C(=O)O)o1 902349159 DBKDGZTUGLLGPZ-LAXYTXAUSA-N 289.375 3.602 30 20 CHED C=CCCNC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 665945052 BLOAODYMBXWHHE-UHFFFAOYSA-N 272.392 3.554 30 20 CHED Oc1cccc(/C=N\[C@@H](Cc2ccccc2)C2CC2)c1O 736430837 JQEDJZCXDXOCNW-JJBLJPBOSA-N 281.355 3.538 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 909287686 IOWXEGYNBPCHGB-QGZVFWFLSA-N 289.375 3.590 30 20 CHED Cc1ccc(C[C@H](C)/N=C\c2ccccc2O)s1 737441193 YSJONOZMUVWOFH-OKHBPPCESA-N 259.374 3.812 30 20 CHED Cc1csc(NC(=O)N2CC[C@H](CC3CC3)C2)c1C#N 584418925 PKIUDQRTBLXLJO-GFCCVEGCSA-N 289.404 3.582 30 20 CHED C[C@H](NCC1(C#N)CC1)c1csc(-c2ccccc2)n1 903106657 UHQRRAHUJFNNMV-LBPRGKRZSA-N 283.400 3.764 30 20 CHED C=C(Cl)COC(=O)C[C@H](C)c1cccc(F)c1 734903430 BISIRJTWJXPDDU-VIFPVBQESA-N 256.704 3.615 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc(-c2nccs2)c1)C(C)C 836321910 WUJHFULNQLVJLM-CQSZACIVSA-N 299.399 3.589 30 20 CHED CSc1ccc(C)c(NC[C@H](C#N)CCC#N)c1 580065917 CDPKPSIJMAFEHB-LBPRGKRZSA-N 259.378 3.572 30 20 CHED C=CCCC[C@@H](N)c1nc([C@H](C)C(C)(C)C)no1 904612189 JHMJJDFLNMBYRE-WDEREUQCSA-N 251.374 3.575 30 20 CHED C[C@@H](NN=Cc1cscc1C(F)(F)F)C(F)(F)F 834997274 BBRRYBODESEWRJ-RXMQYKEDSA-N 290.232 3.641 30 20 CHED C=CCNC(=S)N[C@@H](C)c1cc(Cl)ccc1Cl 745659119 GIKCMGSRWOYBID-QMMMGPOBSA-N 289.231 3.705 30 20 CHED C=C(C)CN(C)c1nnc(-c2ccccc2C)n1CC(=C)C 670212182 RPMCYDFVQQHHID-UHFFFAOYSA-N 296.418 3.842 30 20 CHED COc1ccc([C@H](NCC(C)(C)C#N)C(C)C)cc1 903099929 CHFCSNFCBJUNOM-OAHLLOKOSA-N 260.381 3.532 30 20 CHED C=CC(C)(C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 835144726 HOZUHSYVLBWIQH-JTQLQIEISA-N 288.347 3.824 30 20 CHED C#Cc1cccc(CNC(=O)c2cc(C)n(C(C)C)c2C)c1 837103364 HEGCSVJVZWDBRI-UHFFFAOYSA-N 294.398 3.597 30 20 CHED CC(=NNc1ccc(Br)nc1)c1ccsc1 732713100 OXVPOYWPDZHDHF-UHFFFAOYSA-N 296.193 3.742 30 20 CHED CCON=C1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 834937161 LFAZPXDWBQCLKY-GXTWGEPZSA-N 296.411 3.579 30 20 CHED CCC(=NNc1nc2cc(F)c(F)cc2[nH]1)C(C)C 912817865 ZTDHDLQRONGLJN-UHFFFAOYSA-N 266.295 3.675 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CCC[C@H]1CC)c1ccccn1 835134068 RCUBWWCSCCNLNT-FMKPAKJESA-N 271.360 3.516 30 20 CHED FC(F)(F)c1ccc(NN=C[C@@H]2CC=CCC2)nc1 915918017 XYWAAUOGAIKMCD-SNVBAGLBSA-N 269.270 3.854 30 20 CHED C=CC(C)(C)C(=O)O[C@H]1CCOc2cccc(C)c21 835466992 MVYJQGYZOBUQEY-ZDUSSCGKSA-N 260.333 3.574 30 20 CHED C=CCC1(C(=O)OCc2cccnc2)CCCCC1 838151300 DTLQOBDAYPLVDR-UHFFFAOYSA-N 259.349 3.651 30 20 CHED CC(C)(C)c1cccc(C(=O)N2CCC[C@@](C)(C#N)C2)c1 594340059 YDPXCYURQWJTTR-SFHVURJKSA-N 284.403 3.750 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 595788430 NUJLEDMOMWDMHC-LZQZEXGQSA-N 298.430 3.900 30 20 CHED Cc1ccsc1CCCC(=O)OCC1(CC#N)CC1 748876315 JJZSULZDTURRHU-UHFFFAOYSA-N 277.389 3.616 30 20 CHED O=[N+]([O-])c1ccccc1C=NNc1cccc2c1CCCC2 917553498 XUQZRPLFCUBLTB-UHFFFAOYSA-N 295.342 3.920 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc3cc(Cl)cnc3o2)C1 590648766 DCYMKQFUESGLIN-OAHLLOKOSA-N 289.766 3.607 30 20 CHED CC[C@@H]1CCC[C@H](C)N1CCC(=O)Nc1ccccc1C#N 595866168 FSEQSRDPMINVIE-GOEBONIOSA-N 299.418 3.540 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1cccc(F)c1 747062202 UWHWZZFYVAKEJH-UHFFFAOYSA-N 287.294 3.878 30 20 CHED c1ccc2c(NN=C3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)nncc2c1 915909961 WYDSDFMHEPKKQV-XOUADPBQSA-N 292.386 3.854 30 20 CHED CCCOc1cccc(C=NNCc2ccc(OC)cc2)c1 917547564 WAGWPHCQOHYZMU-UHFFFAOYSA-N 298.386 3.608 30 20 CHED CCCCNN=C1c2ccccc2-c2ccccc21 915969452 KAUJHORTMSCYHZ-UHFFFAOYSA-N 250.345 3.809 30 20 CHED CC(=NOCc1cccnc1)c1cc(C)sc1C 746587947 GYXSQHNOXOTGSK-UHFFFAOYSA-N 260.362 3.701 30 20 CHED CC[C@H](C)CCCCC(=O)N1CCC[C@H](CC#N)C1 597906338 WWEQJYAEEGDZJY-LSDHHAIUSA-N 264.413 3.745 30 20 CHED C=CCN(CCc1ccccc1)C[C@H](O)c1ccc(C)cc1 743843077 OWUMNVCYIIMFDY-FQEVSTJZSA-N 295.426 3.759 30 20 CHED C#CCCCCC(=O)NC(C)(C)Cc1ccc(C)cc1 841355737 AVRXAIWGTJJJQF-UHFFFAOYSA-N 271.404 3.626 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C#N)CCc1ccccc1 598521451 HFTYDBXJZKDTJG-INIZCTEOSA-N 284.403 3.620 30 20 CHED CC[C@H](NCCc1ncc(C)cc1C)c1ccc(C#N)cc1 594508111 AXJRCHVACOSQDJ-SFHVURJKSA-N 293.414 3.854 30 20 CHED CCC#C[C@H](C)N[C@@H](CC)c1ccc(OC)c(OC)c1 671705934 NBTHXDZJNDNXOD-ZFWWWQNUSA-N 275.392 3.546 30 20 CHED C#CCOc1ccccc1CNC(=O)CCCC1CCCC1 742680248 WTYNADREMBAKJO-UHFFFAOYSA-N 299.414 3.675 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](/N=C/c2ccccc2O)C12CCC2 849171579 AAMYVNQZJVCZCB-LNKBOXHWSA-N 287.403 3.937 30 20 CHED CCCCCCCCCCNC(=O)N1CCC(C)(N)CC1 841858576 RYOTYURGANQAMX-UHFFFAOYSA-N 297.487 3.650 30 20 CHED C=CCN(C(=O)NCCCc1cccc(Cl)c1)C(C)C 746975730 ZARZBEMTQUTUED-UHFFFAOYSA-N 294.826 3.879 30 20 CHED CC1(C)CN(C(=O)CC2(C#N)CCCCC2)[C@@H]2CCC[C@H]21 597699734 POCXZKRJYXJYDU-HUUCEWRRSA-N 288.435 3.888 30 20 CHED N#CCOc1cccc(OCC2CCC(F)(F)CC2)c1 842110978 UQKYPMNORAIURT-UHFFFAOYSA-N 281.302 3.793 30 20 CHED CC[C@@H](C#N)Sc1ccc(OC)c(Br)c1 919609825 ODWSPAYEFSNDOB-QMMMGPOBSA-N 286.194 3.852 30 20 CHED CCC(=NNc1cccc(Br)n1)[C@@H]1C[C@H]1C 841643088 HPSVGBSDSZUDEC-RKDXNWHRSA-N 282.185 3.678 30 20 CHED COc1cccc(NN=Cc2c[nH]c3ccc(F)cc23)c1 747042022 LXHMLTUEJMDFBC-UHFFFAOYSA-N 283.306 3.762 30 20 CHED CCN(C(=O)c1cc(Cl)ccc1OC(C)C)[C@H](C)C#N 598882448 MZAPLYMKAHCDET-LLVKDONJSA-N 294.782 3.501 30 20 CHED CC(Cc1ccccc1C)=NNc1ccc(C#N)cc1 743436751 DORXERPZXNOOSZ-UHFFFAOYSA-N 263.344 3.897 30 20 CHED C=C(C)CCOC(=O)c1cc(Cl)nc(C2CC2)c1 847654539 QWQIOUWAJDDZLD-UHFFFAOYSA-N 265.740 3.735 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(C)[C@H](C#N)CC)cc1 847170479 ZGMPMOTWHKGMET-WFASDCNBSA-N 258.365 3.574 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)Cc2c(F)ccc(F)c21 749588946 GRFSZLYCZYALOK-UITAMQMPSA-N 291.684 3.836 30 20 CHED C#CCCCCN[C@H](CCC)c1ncccc1Cl 925529469 YHPNBYIDQVPHQR-CQSZACIVSA-N 264.800 3.969 30 20 CHED C[C@H](C/N=C\c1cc(Br)ccc1O)C1CC1 920177547 HPWNBZYYAOGYQV-VMSYHEBLSA-N 282.181 3.620 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)c1ccccc1F 851210416 QGAUAXQSOYGFMW-RYUDHWBXSA-N 277.339 3.801 30 20 CHED COc1ccc(NN=C(C)c2cc(Cl)ccc2O)cc1 750926413 WYJQVCUMKQCIFA-UHFFFAOYSA-N 290.750 3.890 30 20 CHED FC(F)(F)C(=NOCCC1CC1)c1ccccc1 751955440 JOKWGCSTDWQVEM-UHFFFAOYSA-N 257.255 3.770 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(O)c1 757476989 WGOYZNRKUKIKRJ-WEVVVXLNSA-N 283.283 3.505 30 20 CHED Cc1nc(Cc2nc(C#C[Si](C)(C)C)cs2)cs1 853000615 NRLSQEDZYIRNSQ-UHFFFAOYSA-N 292.505 3.728 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc2cnccc12 929682552 SQFPPZRLSOCXFI-GFCCVEGCSA-N 254.333 3.776 30 20 CHED C=CCN(C(=O)c1cccc(C)c1Cl)C(C)C 754842994 MPERVYXQFYSCHQ-UHFFFAOYSA-N 251.757 3.685 30 20 CHED Fc1ccc(C=NOCc2nc3ccccc3s2)cc1 852150095 PNJCPQQWDBLBME-UHFFFAOYSA-N 286.331 3.986 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CC1(C#N)CCCCC1 851202716 KZDRDSUSXZDWBH-CYBMUJFWSA-N 276.380 3.722 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1cc(F)cc(F)c1 755391449 CZVBRGMCWHZOFM-MRVPVSSYSA-N 293.294 3.816 30 20 CHED C[C@@H]1CCc2sc(C(=O)O[C@H](C)C(C)(C)C#N)cc2C1 753621029 FRXHCJBIELZXEU-GHMZBOCLSA-N 291.416 3.968 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H](CCCC)C(C)C 857605654 IFGUNRFKVLCESW-ZDUSSCGKSA-N 291.357 3.863 30 20 CHED C=CC[C@H](NC(=O)N(CC)[C@H](C)CC)c1ccncc1 853746202 GKSZRKXJXBUFNY-HIFRSBDPSA-N 275.396 3.529 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@H](C)C(C)(C)C2)c1 759933219 YWORTWIYMVHGGV-ZDUSSCGKSA-N 270.376 3.568 30 20 CHED C[C@@H](CC(=O)OC[C@H](C#N)Cc1ccccc1)c1ccco1 860592703 SMHBKZJSWSXMTI-HOCLYGCPSA-N 297.354 3.699 30 20 CHED C#CCCCCCc1nc(-c2cc(F)cc(F)c2)no1 761593667 KABUUJYTDQXODA-UHFFFAOYSA-N 276.286 3.751 30 20 CHED Cc1cc(OC(=O)[C@@H](C)Cc2ccc(F)cc2)ccc1C#N 765092401 SXSAZFJUEWUHBZ-ZDUSSCGKSA-N 297.329 3.790 30 20 CHED C=C(C)COCCNC(=O)c1ccc([C@@H](C)CC)cc1 762190854 PNPBKVBBHOEZOI-AWEZNQCLSA-N 275.392 3.523 30 20 CHED C[C@H](NN=Cc1ccn(-c2ccccc2)n1)c1ccccc1 766695822 AHIUPBCYBVGLSH-HNNXBMFYSA-N 290.370 3.557 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)ccc1C#N 766482689 CVYYKEGUMQGHDP-OQFOIZHKSA-N 292.294 3.671 30 20 CHED CC(=NOCC(F)(F)F)c1ccc2ccccc2n1 764847249 WGEGQQOPKDPVTE-UHFFFAOYSA-N 268.238 3.538 30 20 CHED C=CCOc1ccc(OC(=O)c2cccc(C(C)=O)c2)cc1 765697028 NRNVTGBBISYHHM-UHFFFAOYSA-N 296.322 3.673 30 20 CHED Cc1ccc(-c2nc(CN3CCC[C@H](C#N)C3)cs2)cc1 932160794 GCCOTGBNKOHERO-CQSZACIVSA-N 297.427 3.854 30 20 CHED C#Cc1ccc(NC(=O)N[C@@H](CC(F)(F)F)C(C)C)cc1 934929687 VFVVNPKBPULCHV-ZDUSSCGKSA-N 298.308 3.766 30 20 CHED CCCCOc1ccccc1/C=C\C(=O)c1cnn(CC)c1 767360020 JLGKYEXPUIDCMQ-KHPPLWFESA-N 298.386 3.978 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cccc(Cl)n1 768667797 GHRHQRYFXQLQNE-UHFFFAOYSA-N 280.755 3.612 30 20 CHED COc1ccsc1C=NNc1nc2ccccc2s1 764641914 UTWLCQSHVYLNIJ-UHFFFAOYSA-N 289.385 3.812 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@@H](C)C(C)(C)C#N 768004476 XWOHLZFPTSXTLI-LBPRGKRZSA-N 285.343 3.765 30 20 CHED Cc1cc(C)cc(C=NNCc2cnc3ccccc3c2)c1 764788053 IKZLCZSYOVUYMW-UHFFFAOYSA-N 289.382 3.975 30 20 CHED CC(C)CC1(C(=O)Oc2ccc(C#N)cc2F)CCC1 769738453 GYKWNZDOZYXICC-UHFFFAOYSA-N 275.323 3.819 30 20 CHED CC(C)(CC#N)COC(=O)CCc1ccc(Cl)c(F)c1 860658129 BYXARJKXWMDSFT-UHFFFAOYSA-N 297.757 3.895 30 20 CHED CCC(CC)[C@@H](C)C(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1 762064155 IPSCYPMBGUJINX-YPMHNXCESA-N 298.390 3.515 30 20 CHED CCCCCCCCC(=O)N1CCOc2ncc(C)cc21 761890457 UTJSQSZWRXEFAN-UHFFFAOYSA-N 290.407 3.866 30 20 CHED COc1nccnc1NN=C1CCC(c2ccccc2)CC1 763407927 JZVMDTONWDWYIK-UHFFFAOYSA-N 296.374 3.611 30 20 CHED CC(C)OCCNN=C1C[C@@H](c2ccccc2)C1(C)C 778549778 FFDUJMIIBXUHGE-HNNXBMFYSA-N 274.408 3.571 30 20 CHED CCOCCON=C(C)c1cc(Cl)ccc1OCC 774435697 HVXQWMYGWPJRKT-UHFFFAOYSA-N 285.771 3.516 30 20 CHED C#CC[C@@H](NC[C@H]1CC1(Cl)Cl)c1ccccc1 775399510 RYHCIAPWDCKXIV-CHWSQXEVSA-N 268.187 3.534 30 20 CHED Cc1ccc(C=NN[C@H](Cc2ccccc2)C(C)C)nc1 777449471 WBCPNGCZXIEPIF-GOSISDBHSA-N 281.403 3.581 30 20 CHED C=CCCCCNC(=O)CCCSC(C)(C)C 770082677 OPTVGPYYBIFHHQ-UHFFFAOYSA-N 257.443 3.771 30 20 CHED CC(CCOCc1ccccc1)=NNc1ccc(C)cn1 872347939 JAVCUEOIRQIZFH-UHFFFAOYSA-N 283.375 3.785 30 20 CHED COc1c(Br)cccc1C=NOC1CCCC1 774399660 QKCMQKBUYFRSIT-UHFFFAOYSA-N 298.180 3.751 30 20 CHED CCOCCON=C1CCC(c2ccccc2)CC1 774416512 IHHRDEBIIBFMKW-UHFFFAOYSA-N 261.365 3.753 30 20 CHED C=C(C)CN(C)c1nc(-c2ccncc2)nc2ccccc12 777996705 ZTFTUNZTJIADJJ-UHFFFAOYSA-N 290.370 3.704 30 20 CHED COc1ccc([C@H](OC)[C@H](C)/N=C/c2ccccc2O)cc1 771522025 XBIMRSZMUGRNFO-FCQQJVEOSA-N 299.370 3.596 30 20 CHED CON=Cc1ccc(C(=O)Nc2ccc(C3CC3)cc2)cc1 772854052 ZPGDAHVVAYGFSA-UHFFFAOYSA-N 294.354 3.797 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1cc(C)cc(C#N)c1 1129687875 NPWCWEOLFMIFDC-OAHLLOKOSA-N 262.328 3.724 30 20 CHED CCCCCCCN[C@@H](C)CC(=O)N1CCCCCC1 776747223 QHJHICBKTCFITG-INIZCTEOSA-N 282.472 3.728 30 20 CHED C#CC[C@H](NC(=O)N1[C@@H](C)CC[C@H]1CC)c1ccccc1 772526293 LRUTVGDKYKVAHH-UAGQMJEPSA-N 284.403 3.724 30 20 CHED Cc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)c(C)c1 780188410 PWDFNRMHCFSTGG-OVCLIPMQSA-N 264.324 3.831 30 20 CHED C[C@H](OC(=O)CSc1ccccc1)c1cccc(C#N)c1 782371334 GHZSEKLTDODJBG-ZDUSSCGKSA-N 297.379 3.955 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(F)c(Cl)c1 218340633 KKDDZQANFTZEQR-UHFFFAOYSA-N 268.763 3.851 30 20 CHED CSC1(C(=O)OCC#Cc2ccc(Cl)cc2)CCC1 786450217 ZJLIOJNTGDHZCQ-UHFFFAOYSA-N 294.803 3.520 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(-c2cn[nH]c2)cc1 1124075470 NVAJIMRQTOKBMA-QGZVFWFLSA-N 295.386 3.648 30 20 CHED CCc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1C 1127208866 ZFLHQLYGCLHIIQ-UHFFFAOYSA-N 282.318 3.821 30 20 CHED C#CCC1(C(=O)N2CC[C@H](C)C(C)(C)C2)CCCCC1 788243555 TUURKYZQJYJITH-HNNXBMFYSA-N 275.436 3.855 30 20 CHED C=CCCN[C@H](C)c1ccc(Br)s1 164574983 RGYCVTOUDGQHIT-MRVPVSSYSA-N 260.200 3.737 30 20 CHED C=CCCCCCOC(=O)CCc1nc(C)cs1 785021254 ZCNVWHIFDTUUGO-UHFFFAOYSA-N 267.394 3.674 30 20 CHED CC(C)CN(CCC#N)CC[C@H](C)OCc1ccccc1 789325873 JJLUTAVOBTWNJE-KRWDZBQOSA-N 288.435 3.853 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1F 782301934 FVZSEFBSAGWLND-VURMDHGXSA-N 286.302 3.826 30 20 CHED COc1ccc(/C=C\C(=O)OCCCC(C)(C)C#N)cc1 782022964 DCWJUXKXGXWWBM-YFHOEESVSA-N 287.359 3.582 30 20 CHED CC[C@@](C)(C#N)c1nc([C@H](C)c2cccc(F)c2)no1 897067304 HFCQFCGFCUFCPE-BMIGLBTASA-N 273.311 3.552 30 20 CHED COCC[C@H]1CCCC1=NNc1cccc(Cl)c1 799864258 BMQQSUXVWMZDGV-LLVKDONJSA-N 266.772 3.945 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1ccc(C)c(C#N)c1 799304949 NAWYBQZPDAPLND-UHFFFAOYSA-N 292.382 3.837 30 20 CHED CCCCCCCC(=O)Nc1n[nH]c(C)c1Cl 790981820 YMGKFXXHRDRTHC-UHFFFAOYSA-N 257.765 3.671 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1C#N 799342441 QRCITSQTZHKDBH-CKEIUWERSA-N 282.387 3.565 30 20 CHED N#Cc1ccnc(N2CCCC3(CCCCC3)CC2)c1 553246713 KPXQLBRZFGNTOG-UHFFFAOYSA-N 269.392 3.894 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@H]2CC=CCC2)s1 797570375 GKIOKBGBPSGPAN-NEPJUHHUSA-N 288.416 3.973 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=Cc1ccnn1C(C)C 794537550 XMGPSTGTWTVLEK-GOSISDBHSA-N 298.434 3.655 30 20 CHED C=C(Br)CN1[C@H]2CCCC[C@@H]2C[C@H]1C 743854333 UHFDEICOENITMP-UTUOFQBUSA-N 258.203 3.548 30 20 CHED C[C@@H](NCc1ccsc1)c1ccc(OCC#N)cc1 63152419 FCLCYJQBIDABCU-GFCCVEGCSA-N 272.373 3.501 30 20 CHED CC(C)N(CCC#N)C[C@@]1(C)C[C@@H]1c1ccccc1 1204460528 NROIJLIXUURPHN-IAGOWNOFSA-N 256.393 3.804 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2ccc(F)cc2)cc1C#N 799547807 YKAVAHGOSKFJIZ-GFCCVEGCSA-N 283.302 3.924 30 20 CHED CCc1cccc(NC(=O)Nc2cc(C#N)ccc2F)c1 1202887601 YLIASIPATWISAK-UHFFFAOYSA-N 283.306 3.904 30 20 CHED C=CCN(Cc1csc(-c2ccccn2)n1)C(C)(C)C 661755402 PSPVELPQFSIMLU-UHFFFAOYSA-N 287.432 3.992 30 20 CHED COCCCON=C(C)c1cc2ccc(C)cc2o1 795052813 AOLHAZWWWYEAFT-UHFFFAOYSA-N 261.321 3.518 30 20 CHED Cc1c(C(=O)OCC2(C#N)CC2)sc2ccc(C#N)cc12 796627009 YOFYTXKGVHGBFX-UHFFFAOYSA-N 296.351 3.542 30 20 CHED CC(C)(C)C1CCC(=CC(=O)NCC2(CC#N)CC2)CC1 797562894 RZZBADZSRXMKKD-UHFFFAOYSA-N 288.435 3.959 30 20 CHED CSCC1CCN(Cc2ccc(C#N)cc2Cl)CC1 719303728 UBALULLDEDUDHZ-UHFFFAOYSA-N 294.851 3.787 30 20 CHED Fc1ccc(/C=C\C=NNC2CCCCC2)cc1F 794932469 IDHJPRFCGGXGJF-DLRRHIBLSA-N 264.319 3.886 30 20 CHED CC(=NNc1ncncc1F)c1cccc2ccccc12 793225402 JWRAVMMYKUVMFG-UHFFFAOYSA-N 280.306 3.605 30 20 CHED COc1cc(/C=C/C(=O)c2ccsc2)ccc1C#N 799497303 NNWWCXIFCIGZHT-HWKANZROSA-N 269.325 3.524 30 20 CHED CC1(C)CCC[C@H]1NN=C1CCC(C(F)F)CC1 799487528 SGQPMSQGRXRGJR-TVKKRMFBSA-N 258.356 3.966 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NNC2CCCC2)C1 799112677 UTFIPOXXXCFHCD-AWEZNQCLSA-N 271.408 3.936 30 20 CHED CC(C)CN(CCC#N)C(=O)C1CCC(C)(C)CC1 768924650 DJKQHGPNEKFIOV-UHFFFAOYSA-N 264.413 3.601 30 20 CHED C[C@@H]1CC[C@H](Nc2ncc(C#N)cc2Cl)C[C@H]1C 1307091248 SVAKWHGUHCGFDE-FOGDFJRCSA-N 263.772 3.843 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2c[nH]c3ccccc23)c(F)c1 1157072631 PMQCRQYHUWLVIM-UHFFFAOYSA-N 297.264 3.570 30 20 CHED CCN(Cc1cccc(Cl)c1)c1nccc(C)c1C#N 1306934489 MUMCZPJIEQSUBN-UHFFFAOYSA-N 285.778 3.942 30 20 CHED CO[C@@H](COc1cccc(F)c1C#N)c1ccc(F)cc1 1307320144 UCXIPBSHOFIDHA-INIZCTEOSA-N 289.281 3.603 30 20 CHED CC(C)Oc1ccc(CN2CCC[C@@H](C#N)C2)cc1Cl 1231713273 RTBGLZSAOFCHDJ-AWEZNQCLSA-N 292.810 3.863 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1317826191 TUWHLOWQCVEDSM-FTJRJAGUSA-N 294.398 3.610 30 20 CHED CC[C@@H](C)c1nnc(CCCCOc2cccc(C#N)c2)o1 1324080551 ANRATSFIUDWXQQ-CYBMUJFWSA-N 299.374 3.856 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(-c2ccncc2)cc1 1321242720 YZTBQVPXWSMXQT-RDTXWAMCSA-N 282.387 3.600 30 20 CHED N#CC1(CNC(=O)c2ccc3c(c2)oc2ccccc23)CC1 1323372623 AWKUJRPQMLFVPL-UHFFFAOYSA-N 290.322 3.620 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(-c3cnn(C)c3)cc2)o1 1321074554 SCLVVPRQXXPQMG-TWGQIWQCSA-N 292.338 3.885 30 20 CHED COc1cc(C#N)ccc1C(=O)NC(C)(C)CC(C)(C)C 1192268640 QAJPFHDUQXQTSC-UHFFFAOYSA-N 288.391 3.511 30 20 CHED C#C[C@@H](NC(=O)c1occ(C)c1C)c1ccc(Cl)cc1 1347422882 RUEGXDKNRLEBTE-CQSZACIVSA-N 287.746 3.654 30 20 CHED C[C@H](C(=O)O[C@@H](CC#N)c1ccco1)c1cccc(F)c1 1346719681 BTRJIBZHRCGKRE-NHYWBVRUSA-N 287.290 3.720 30 20 CHED Cc1ccc(CCC(=O)O[C@@H](CC#N)c2ccco2)s1 1346720789 YOKJEFZYVUSSGQ-AWEZNQCLSA-N 289.356 3.780 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cc3c(s2)CCCCC3)C1 1344605225 OAJATJCDUKUZRP-WCQYABFASA-N 289.400 3.866 30 20 CHED C[C@H](CC(F)(F)F)NC1CC(C#N)(c2ccccc2)C1 219254161 AHFZFXLWXOWHCK-LMWSTFAQSA-N 282.309 3.541 30 20 CHED CCN(Cc1cccs1)Cc1cccc(C#N)c1F 219509960 PSIQCFQVYYBJQG-UHFFFAOYSA-N 274.364 3.781 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 1357423328 PENLXVABPKSYCX-MRXNPFEDSA-N 282.318 3.578 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OCC(C)C)cc1 224306870 IWZMDMSUSTXXBS-HNNXBMFYSA-N 259.393 3.785 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1 1528802506 QCVNAERLVQUQTG-ZWKOTPCHSA-N 290.366 3.917 30 20 CHED C[C@@H]1CCC[C@@H](Nc2nc(C#N)c(Cl)s2)C1 1458096951 VYGSVMOBNIZQQX-HTQZYQBOSA-N 255.774 3.659 30 20 CHED Cc1cc(C(=O)Nc2nc(Cl)c(C#N)s2)c(C)s1 1521211643 RLPPGKWUSHZXFP-UHFFFAOYSA-N 297.792 3.599 30 20 CHED Cc1[nH]nc(NCc2ccc(OCCC(C)C)cc2)c1C#N 1461559818 QJXGQBJORDVPJW-UHFFFAOYSA-N 298.390 3.627 30 20 CHED CCC1CN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1466648820 RZUFKTIVFRUJRB-UHFFFAOYSA-N 291.420 3.791 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1cc(C#N)c(F)cc1F 1462286451 XQLVAQSJBIQRIC-UHFFFAOYSA-N 280.318 3.847 30 20 CHED CCCOc1cccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1 1535478698 GUXAXJOOBRYJSP-BBRMVZONSA-N 287.359 3.715 30 20 CHED Cc1cc(Sc2ccnc(C(C)C)n2)ccc1C#N 1472813800 MANBEDYCROJHSY-UHFFFAOYSA-N 269.373 3.931 30 20 CHED CC[C@H](NC(=O)Nc1cc(C)cc(C#N)c1)c1ccncc1 1562939220 ATPMRTMRMMFXQD-INIZCTEOSA-N 294.358 3.535 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 1562143795 QAACWCZDRZNUPU-UONOGXRCSA-N 271.364 3.506 30 20 CHED CC[C@@H]1Cc2ccccc2CN1Cc1cccc(C#N)c1 1645200735 XTWYMSZMQMFLSR-LJQANCHMSA-N 276.383 3.895 30 20 CHED Cc1cc(CN2Cc3ccccc3[C@@H](C)C2)ccc1C#N 1659959516 QHESVSAPDRAHQI-HNNXBMFYSA-N 276.383 3.986 30 20 CHED C=CC[C@@H]1CC[C@@H](Nc2ccc(CCC(=O)O)cc2)C1 1588770658 CBIOLVVSTWMSQT-GDBMZVCRSA-N 273.376 3.861 30 20 CHED CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC=C(C(=O)O)C1 1595705050 OVLWSEINKILLMR-DZGCQCFKSA-N 295.423 3.663 30 20 CHED CCc1ccccc1C=NNc1ccc(C(=O)O)c(F)c1 1776076570 VTZBZIAGEKMTIL-UHFFFAOYSA-N 286.306 3.532 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(CC[C@@H]2C[C@@H](C)C[C@@H](C)C2)C1 1776160488 JGIHJBWCAIKBEL-MUQADHOPSA-N 293.451 3.802 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC/C=C\c2ccccc2)C1 1776156557 VJWNBSVAZLKTSW-PVABEOQZSA-N 299.414 3.833 30 20 CHED C[C@@H]1/C(=C\c2csc(C(=O)O)c2)C(=O)c2ccccc21 1777407788 GQDQKJYZSINFJV-CVSYOPMASA-N 284.336 3.830 30 20 CHED C=CCN(C)C(=O)CCc1cccc(OC2CCCC2)c1 161616660 QONLMMYXNOOGAO-UHFFFAOYSA-N 287.403 3.585 30 20 CHED C[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)cc2Cl)C1 162859724 BNULCULVRNUGGA-VXGBXAGGSA-N 262.784 3.690 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)OCC)nc1 155391822 ZNATYJQUGOUBKO-UHFFFAOYSA-N 292.379 3.557 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC)c(OC(F)F)c1 159001662 DVXCZQHUSHNFPB-UHFFFAOYSA-N 285.334 3.695 30 20 CHED CSc1ccc(NC(=O)c2cccc(C#N)c2)cc1 8024074 KXGZQXPHCKNGPY-UHFFFAOYSA-N 268.341 3.532 30 20 CHED O=C(/C=C\c1cccc2c1OCCCO2)c1cccc(F)c1 208338514 NVNUFYKDXGIFSJ-HJWRWDBZSA-N 298.313 3.883 30 20 CHED CS[C@H]1CC[C@H](Nc2cccc(Cl)c2C#N)C1 235140868 RICXRMUECAFOGP-UWVGGRQHSA-N 266.797 3.908 30 20 CHED CCCCN(CCCC)C(=O)C1(C#N)CCCCC1 44765384 BSYXQBPMUOSZEH-UHFFFAOYSA-N 264.413 3.889 30 20 CHED N#Cc1ccc(CN(Cc2ccsc2)C2CC2)cc1 48349411 BCYZUUJLRDJZDH-UHFFFAOYSA-N 268.385 3.784 30 20 CHED C=CCCC[C@H](C)Nc1ccc(S(=O)(=O)CC)cc1 191847950 HMFDPFONXXNVKW-ZDUSSCGKSA-N 281.421 3.637 30 20 CHED CCCCN(C(=O)Cc1ccc(C#N)cc1)[C@@H](C)CC 70158795 LSDCVSLQXZCKGL-AWEZNQCLSA-N 272.392 3.528 30 20 CHED N#Cc1ccc(Cl)cc1NCCCc1nccs1 346430998 YWFLCPKKNJJSLR-UHFFFAOYSA-N 277.780 3.713 30 20 CHED CCCCCCCCC(=O)Nc1ccc2c(c1)CNC2 386559157 NRCCZHKSRKLGSM-UHFFFAOYSA-N 274.408 3.979 30 20 CHED C=C(C)CCN[C@@H]1CCSc2c(F)cccc21 386816466 SPKPXBPKXRLGDZ-CYBMUJFWSA-N 251.370 3.918 30 20 CHED C=CC[C@H](CC)N[C@H](C)CCc1ccc(OC)cc1 393794624 OEBMFNTVYDCCPC-ZBFHGGJFSA-N 261.409 3.961 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1C 56475763 DJIKLQPKMJJHIQ-UHFFFAOYSA-N 294.354 3.826 30 20 CHED CCCCCCCCC(=O)NOCc1ccccc1 106167432 PSBUDGPXJSZNDM-UHFFFAOYSA-N 263.381 3.985 30 20 CHED Cc1nnc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C#N)c1C 107672673 MXGSFOLIMBOGRR-DZGCQCFKSA-N 298.777 3.587 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 80159135 DZKGJUXTQYMPTF-IUODEOHRSA-N 274.339 3.509 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)CCOc2ccccc2)CC1 174305737 MBLVLCPBMREFMO-HNNXBMFYSA-N 287.403 3.516 30 20 CHED CC[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 26127447 NPJQYYYJXSXCGJ-KDOFPFPSSA-N 292.382 3.929 30 20 CHED C#CCCCCC(=O)NCC1(c2ccc(F)cc2)CCC1 179889559 BKJIVDNDQXLVSU-UHFFFAOYSA-N 287.378 3.557 30 20 CHED C=CC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 110368375 KQTKNAKIXRSHCU-UHFFFAOYSA-N 289.806 3.796 30 20 CHED CC[C@@H](C/N=C(/N)Nc1ccc(OC)cc1)c1ccccc1 303786045 QYWHBEBTXMHLHN-AWEZNQCLSA-N 297.402 3.616 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H](c2ccc(F)cc2)C1 301573594 PMXZGOWKNKGEJO-ZDUSSCGKSA-N 284.309 3.830 30 20 CHED C#CCCCCC(=O)Nc1cccc(COC(C)C)c1 119723872 UKCUIRFMNZKKLZ-UHFFFAOYSA-N 273.376 3.744 30 20 CHED C=C(C)CNC(=S)Nc1cccc(N2CCCCC2)c1 63671606 GDYGZMPPQCTXIO-UHFFFAOYSA-N 289.448 3.539 30 20 CHED C[C@@H](SCc1ccc(C(N)=O)cc1)c1ccc(C#N)cc1 118443809 WDLIVPDUNSKTKB-GFCCVEGCSA-N 296.395 3.652 30 20 CHED C#CCCCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 172947481 BTZJKIOTFQDXJH-KBPBESRZSA-N 296.197 3.627 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1ccccc1OC(F)F 114757335 LWRMIAVXJVSLOR-VIFPVBQESA-N 287.331 3.534 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc(Cl)c(C#N)n2)C1 302113743 BOOVIQIEEWIULK-ABAIWWIYSA-N 298.777 3.589 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(C#N)s1 179302822 UZLMBZZQAHZEPD-UHFFFAOYSA-N 270.401 3.684 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1Nc1ccc(C#N)cc1F 302481648 RITWOSZCUBGNHE-HOTGVXAUSA-N 276.355 3.703 30 20 CHED N#Cc1cc(Cl)cc(OCc2cc(Cl)ccn2)c1 310953661 ZVCKLDNSRZYHIP-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)c1cccs1 185831935 FCXMMLCMJKSULQ-QWHCGFSZSA-N 262.422 3.698 30 20 CHED C=CCN1CCC(c2cccc(Br)c2)CC1 217243578 CZMKQZAFRUWPOZ-UHFFFAOYSA-N 280.209 3.815 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2cccc(C#N)n2)C1 301816220 DNIROILQIVHXEN-WBMJQRKESA-N 281.334 3.680 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1cccc(O)c1 23165154 HBVFJNXBDATZOS-BQYQJAHWSA-N 260.239 3.567 30 20 CHED CCOc1cc(CNc2cccc(C#N)c2)ccc1OC 20090113 LMZKEGMHNXIWAU-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C=CC1CCN(C(=O)[C@H]2C[C@]23CCCc2ccccc23)CC1 173301142 GHOAENWIABVQQX-QUCCMNQESA-N 295.426 3.705 30 20 CHED Cc1ccc(OC(F)F)c(/C=C/C(=O)c2cccnc2)c1 176904542 AJHOEEMWCQHXAG-AATRIKPKSA-N 289.281 3.888 30 20 CHED C=C(C)[C@@H](N[C@@H](COC)C1CC1)c1ccc(F)c(F)c1 186448449 HIZFBWRONOURDN-JKSUJKDBSA-N 281.346 3.597 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1ncccc1C#N 302240566 XKWPQWBMVZUFLZ-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2ccc(F)cc21 301177162 GLIDRWVYYAIGJT-MRXNPFEDSA-N 297.289 3.705 30 20 CHED Cc1cc(NC(=O)C(C)(C)C#N)ccc1C(F)(F)F 175326057 ICILHKGTBKMBRG-UHFFFAOYSA-N 270.254 3.502 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1coc2ccccc12 178982425 OCAHOXZBTOJJRO-CMDGGOBGSA-N 280.327 3.679 30 20 CHED C=CCOCCN[C@H](CC)c1cccc(Cl)c1 305502740 AFSKPHSPJGAQJR-CQSZACIVSA-N 253.773 3.583 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@H](CC)C(C)C 303821961 AFDHVRXTLZRERY-ZDUSSCGKSA-N 291.366 3.849 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1c(C)noc1C(C)C 63961280 VTQJBZQMNMDYAB-UHFFFAOYSA-N 283.331 3.539 30 20 CHED C=CCC1(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)CCC1 189607935 QEUXZVDLENEVGL-IXDOHACOSA-N 281.399 3.577 30 20 CHED C#CCCCCC(=O)Nc1cccc(N(C)C(C)C)c1 120128676 PHLXWHUEKKJRSD-UHFFFAOYSA-N 272.392 3.663 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@H]1C=CCCC1 186597824 YUKCHFSAGJODOF-INIZCTEOSA-N 269.388 3.948 30 20 CHED CCN(CCC#N)Cc1cnc(-c2cccs2)s1 127647348 YHVULPMKEGLOKO-UHFFFAOYSA-N 277.418 3.607 30 20 CHED CC(C)[C@@H](C)SCC(=O)N(CCC#N)c1ccccc1 79083049 AEWFTPZKTYDLKR-CQSZACIVSA-N 290.432 3.711 30 20 CHED CC(=O)c1cccc(OCCCOc2cccc(C#N)c2)c1 123683303 CWJUSOYXRRMAQE-UHFFFAOYSA-N 295.338 3.609 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@H]1CCC2(CCCCC2)O1 318655815 IJZLGAHQJZSUEU-GOSISDBHSA-N 298.430 3.872 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(N3CCCCC3)cc2)C1 316525707 JVWGTWRRLFNOEX-UHFFFAOYSA-N 297.402 3.555 30 20 CHED C[C@H](NC(=O)C1(C#N)CCC1)c1cccc(C(F)(F)F)c1 128305033 UCXUXNBKCCFJHA-JTQLQIEISA-N 296.292 3.576 30 20 CHED CC#CCCCC(=O)N(CC(C)(C)C)CC(F)(F)F 185699219 IDSRTNPEFOIWKF-UHFFFAOYSA-N 277.330 3.617 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c(Cl)c1 189790348 KCPUWFSBARHAIG-CQSZACIVSA-N 267.756 3.889 30 20 CHED CCN(CC#N)[C@H]1CCc2c(Cl)cc(Cl)cc21 411215481 RGPYECBIUXHCIG-ZDUSSCGKSA-N 269.175 3.826 30 20 CHED CC[C@H](CC#N)OC(=O)Cc1cccc2ccc(OC)cc12 187976729 ZLSOOHOUUHOVHU-OAHLLOKOSA-N 297.354 3.626 30 20 CHED C=CCN(C)C(=O)c1c(-c2ccccc2)oc(C)c1C 189197184 MODJDMHEISDOAI-UHFFFAOYSA-N 269.344 3.821 30 20 CHED O=C(/C=C\c1cccs1)c1cccc(N2CCOC2=O)c1 211312823 ZXCYTXXJPCVDJA-SREVYHEPSA-N 299.351 3.601 30 20 CHED C=CCCCC[C@@H](C)NCc1nnc(C2CC2)s1 414336444 ZHBILSIELVWUOX-LLVKDONJSA-N 265.426 3.640 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1sccc1OC(F)F 182652801 XWGAWCFTSFCBCT-SECBINFHSA-N 289.347 3.824 30 20 CHED CCO[C@@H](CC(=O)Nc1ccc(CC#N)cc1)C1=CCCC1 72936119 UFFYVJYEABHRTK-KRWDZBQOSA-N 298.386 3.597 30 20 CHED N#CCC(=O)Nc1ccccc1NCC1CCCCC1 120747655 SQAXZBXOJCGBRT-UHFFFAOYSA-N 271.364 3.531 30 20 CHED CC[C@@H]1CCCN(c2c(C#N)nnc3ccccc23)CC1 77225398 APGFPBACPJAGLD-CYBMUJFWSA-N 280.375 3.518 30 20 CHED CC#CCCCC(=O)Nc1ccccc1OCC(C)C 185230385 LSFXGQBPBMWTIA-UHFFFAOYSA-N 273.376 3.854 30 20 CHED Cc1nc(N2CCCC3(CCCCC3)C2)ccc1C#N 488057672 NTGQIFAQNQRJJV-UHFFFAOYSA-N 269.392 3.812 30 20 CHED C=C[C@@H](CC(=O)NCCc1ccccc1F)c1ccccc1 123562445 BRVRFQZWLOWXQR-HNNXBMFYSA-N 297.373 3.844 30 20 CHED CC(C)Oc1ccc(Cl)cc1NC(=O)[C@@]1(C#N)C[C@H]1C 410874636 SSEVRJYPHAWSJY-MEBBXXQBSA-N 292.766 3.615 30 20 CHED CCc1nc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cs1 181738800 FENXFOUFXFFMBC-VXGBXAGGSA-N 285.416 3.989 30 20 CHED C=CCC[C@@H](C(=O)Nc1nccs1)c1ccccc1 189385651 FKMCUAMXOQVQFQ-CYBMUJFWSA-N 272.373 3.832 30 20 CHED C=CCN(C)C(=O)c1cc2ccccc2c2cccnc12 186137147 ISWCQKSFSYRGCF-UHFFFAOYSA-N 276.339 3.646 30 20 CHED CC(C)[C@H](C)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416096883 IKZMGGDXDUMRDS-DYVFJYSZSA-N 284.403 3.734 30 20 CHED C=C(C)CCN(C)C[C@@H](C)Cc1ccc(OC)cc1 509007684 IZDILOCAAYUODA-HNNXBMFYSA-N 261.409 3.772 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc(C)c2)s1 79263094 WAHSUQJJRNKRNX-UHFFFAOYSA-N 270.357 3.743 30 20 CHED C=C(CC)CNC(=O)Nc1c(OC)cccc1SC 417684285 WIJQGGUEJILPJK-UHFFFAOYSA-N 280.393 3.505 30 20 CHED CCOc1cccc(/C=N/CC(C)(C)c2ccncc2)c1O 131237590 XWIDTQPLXGFQQH-UDWIEESQSA-N 298.386 3.583 30 20 CHED C[C@H](CCC#N)Sc1nnc(Cc2ccccc2F)o1 188311643 HUHYEUZPRBOUKF-SNVBAGLBSA-N 291.351 3.584 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc(Cl)s1 450723895 KPMSEWGAMZNGHN-VIFPVBQESA-N 254.786 3.746 30 20 CHED CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccncc1 181805984 WUCRJYBEIZDTCQ-KDOFPFPSSA-N 295.386 3.786 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccc(C)cc2[nH]1 410121760 YAMXKSQMZWYTJN-CYBMUJFWSA-N 256.349 3.561 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2ccc3ccn(C)c3c2)CCC1=O 328953537 YBAAPALYIPVVJC-DGCLKSJQSA-N 284.359 3.772 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 46911463 RRDATJUUYZMNGL-NEPJUHHUSA-N 296.292 3.865 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CCC1CC1 413842807 YMLNLMVXOSKGJA-QGZVFWFLSA-N 286.419 3.615 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCc2c(F)ccc(F)c21 500813734 IIFJMWYXSHLYMX-QMTHXVAHSA-N 251.320 3.896 30 20 CHED Cc1nc(CNc2ccccc2SCCC#N)oc1C 84492742 KAEKTNZAYTYNFG-UHFFFAOYSA-N 287.388 3.909 30 20 CHED Cc1cc(N=C(O)[C@@H]2C[C@H]2C2CC2)cc2n[nH]cc12 329074621 PIEYNAIPOPDXIN-NWDGAFQWSA-N 255.321 3.505 30 20 CHED Cc1cnc(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)[nH]1 328877247 TXBUIGQTANDFMO-RWMBFGLXSA-N 261.369 3.913 30 20 CHED Cc1cccc2c1N(C(=O)c1cccc(CC#N)c1)CCC2 192526792 UJZZNXZSASAEBP-UHFFFAOYSA-N 290.366 3.654 30 20 CHED Cc1nc2ccc(N=C(O)C3(C)CCCCCC3)cn2n1 329674838 OTNPGZMCCWBLGJ-UHFFFAOYSA-N 286.379 3.986 30 20 CHED N#CCCN1CC=C(c2cccc3ccccc23)CC1 49480845 QXWCEBMWPZIOSM-UHFFFAOYSA-N 262.356 3.843 30 20 CHED Cc1ccccc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 49882736 VMTOIVASMAQUOI-HNNXBMFYSA-N 284.746 3.643 30 20 CHED C=CCc1ccc(OCCOC(C)(C)C)c(OC)c1 195220123 YYJBJXYODKFHDM-UHFFFAOYSA-N 264.365 3.618 30 20 CHED Cc1cncc(NCc2ccc(F)c(C#N)c2Cl)c1 428866701 KNOCMXMDDKFRSK-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C[C@](C#N)(NC(=O)CCc1cccs1)C1CCCCC1 517050615 YGFURFXSXMEWCL-MRXNPFEDSA-N 290.432 3.659 30 20 CHED CC1(C)C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N 513154355 KRFPARAVKLJMHK-QGZVFWFLSA-N 290.366 3.754 30 20 CHED COc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1O 130535337 QKDGQBRMPZRTHR-INIZCTEOSA-N 296.370 3.535 30 20 CHED CC[C@H]1CCC[C@@H]1NCC#Cc1ccc(Cl)cc1 429782156 FQUSVJCYAOIUFP-HOCLYGCPSA-N 261.796 3.860 30 20 CHED CCC(=O)c1cccc(NCc2ccc(C#N)cc2F)c1 135742950 JKWZWNRDTQPQRQ-UHFFFAOYSA-N 282.318 3.902 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CCc1ccc2ccccc2c1 193380409 VADPLXMEANPFBM-IBGZPJMESA-N 294.398 3.827 30 20 CHED C[C@H](Nc1ccn(CCC#N)n1)c1ccc(F)c(Cl)c1 86154681 CRCJFTAYVZQKSP-JTQLQIEISA-N 292.745 3.762 30 20 CHED C[C@@H](SCc1nc(C2CC2)nn1C)c1ccc(C#N)cc1 516065316 HNICBPLPECTMBT-LLVKDONJSA-N 298.415 3.559 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCC(C)(C)C 425137380 XPCKBELTNWWEHP-CYBMUJFWSA-N 272.392 3.904 30 20 CHED C#CCN(Cc1nc(C)cs1)[C@H]1CCc2ccccc21 81665710 RSRNBLKZYOGSIX-INIZCTEOSA-N 282.412 3.574 30 20 CHED Cc1cc[nH]c1/C(O)=N/[C@@H](CC(=N)O)C1CCCCC1 331216737 FDZQWHBLCPDAFD-LBPRGKRZSA-N 277.368 3.502 30 20 CHED CC(C)(C#N)C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 334752359 UIPKIJRNWQPCMR-GXTWGEPZSA-N 290.794 3.642 30 20 CHED Cc1ccc(CCCN(C)[C@@H](C)c2cccc(C#N)c2)cn1 425365982 NQLCXTCTFMSYLE-INIZCTEOSA-N 293.414 3.887 30 20 CHED COc1cc(CN2CCC[C@H]3CCCC[C@H]32)ccc1C#N 234999561 XNQNVCLMBHZVBS-NVXWUHKLSA-N 284.403 3.721 30 20 CHED N#Cc1ccnc(NCc2cccc(Cl)c2)c1Cl 236063569 USEQWOBJZZPSKC-UHFFFAOYSA-N 278.142 3.872 30 20 CHED Cc1nc(S[C@H]2CC[C@@H](C#N)C2)c2ccccc2n1 334624954 RPHSEUTUYRVFDV-NEPJUHHUSA-N 269.373 3.723 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 339141955 VXMXKLJIQMQCCR-DIECFANBSA-N 281.403 3.748 30 20 CHED N#Cc1cccc(N2CC[C@H]2c2ccc(Cl)cc2)n1 339215539 CYJMAZKUVYIVBW-AWEZNQCLSA-N 269.735 3.558 30 20 CHED C=C(CNC(=O)N(C)[C@@H]1CC[C@@H](C)C1)c1ccccc1 512677607 LJFAYNLXBRVBEI-CZUORRHYSA-N 272.392 3.530 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)[C@H](C)CC)cc1 236878733 GUDRVUNXXHNTBS-CABCVRRESA-N 259.393 3.613 30 20 CHED Cc1cnc([C@H](C)Nc2nccc(C#N)c2Cl)s1 235539156 BXJKTFKMCRTTJH-QMMMGPOBSA-N 278.768 3.545 30 20 CHED CCCOc1ccc(CN(C)[C@@H](C)CC#N)cc1OCC 93090810 WVWOAOVWTUPFOU-AWEZNQCLSA-N 290.407 3.608 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(OC)cnc2ccccc12 514800098 GHDIDXNXILNGCL-CYBMUJFWSA-N 298.386 3.718 30 20 CHED N#Cc1ccn(Cc2csc(CCc3ccccc3)n2)c1 339195226 QZFAHQKHYLKEEY-UHFFFAOYSA-N 293.395 3.650 30 20 CHED CSc1cccc(C)c1NC(=O)N[C@@H]1CC[C@H](C#N)C1 335144286 LYGFPNMGZGOXQJ-NWDGAFQWSA-N 289.404 3.531 30 20 CHED CCN(Cc1cnc(-c2ccsc2)s1)C[C@H](C)C#N 91983245 YXUJKHNSTXLYJK-LLVKDONJSA-N 291.445 3.853 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2ccc(C#N)c(F)c2)CC1(C)C 332466007 QMYVRCHAOPEZRQ-CQSZACIVSA-N 289.354 3.596 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(Cl)c(F)c1 435735387 MLVIWDRSEXSZEC-WFASDCNBSA-N 283.774 3.550 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(CC#N)cc1 343763668 LWAQTJSHNAGHMS-SFHVURJKSA-N 279.387 3.731 30 20 CHED CCCCCNC(=O)Nc1ccc(OC(C)C)c(C#N)c1 435558617 WOVJIYPIYBJLDH-UHFFFAOYSA-N 289.379 3.657 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCc2ccc(F)cc21 526955080 ZWMCWRYKQQWSGV-GOEBONIOSA-N 261.340 3.532 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCCNc3ccccc32)c1 348366126 UHHXIHOHZDJYAB-LJQANCHMSA-N 291.398 3.637 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C[C@@H](C)O1 248628077 GMBXFEHKCORSIA-DDFAGTSDSA-N 298.308 3.945 30 20 CHED CCCCCCCCC[S@](=O)[C@H]1CCO[C@H]1C 248957444 LXALCWSIVDPXKO-ZQIUZPCESA-N 260.443 3.663 30 20 CHED CCN(CCN1CCCCCC1)CC(C)(C)CCC#N 349016503 ZLEUGWWJVFHART-UHFFFAOYSA-N 279.472 3.514 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cn1 343253016 SKASQWHCFWRPRA-SNVBAGLBSA-N 286.297 3.575 30 20 CHED CCC(CC)(CC)[S@@](=O)Cc1ccc(OC)c(C#N)c1 431208401 QLRJNFNHRJHZJO-FQEVSTJZSA-N 293.432 3.784 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccccc3)o2)C1 349793494 WCNFQTLHYVRZHI-DZGCQCFKSA-N 266.344 3.728 30 20 CHED C=CCCC(=O)N[C@H](CC)Cc1ccc(Cl)cc1 604736502 SUIOCBFQZOXTKW-CQSZACIVSA-N 265.784 3.744 30 20 CHED C[C@H](NC/C=C\c1ccccc1)c1cccc(C#N)c1 254978012 YWNCCHLHWULXPH-MLBQELRYSA-N 262.356 3.922 30 20 CHED C=CC[C@H](CC)N1C(=O)[C@H]2CC[C@@H](c3ccccc3)N2C1=O 348567743 XXZINHCRORYFPU-HRCADAONSA-N 298.386 3.509 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1CCCc2occc21 432085713 RSYYPQXLAUHWBO-CYBMUJFWSA-N 276.380 3.559 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1cccc(Cl)c1 255050909 RXHXJZOXDWUKHC-FPLPWBNLSA-N 282.730 3.884 30 20 CHED C[C@H](NC(=O)c1ccccc1CC#N)[C@H]1CCC[C@@H](C)C1 601620437 JBTUHCUSGSEHCN-YCPHGPKFSA-N 284.403 3.697 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccc(O)c(F)c1 255594265 NEHFSDJQLLMJNZ-XQRVVYSFSA-N 278.229 3.706 30 20 CHED Cc1noc(CCCSc2ccc(Cl)cc2C#N)n1 601911648 HMQPZOUGPHYVSG-UHFFFAOYSA-N 293.779 3.628 30 20 CHED Cc1cc(Cn2cnc3cc(F)c(F)cc32)ccc1C#N 447308017 ZJOAMLNUWYHWQW-UHFFFAOYSA-N 283.281 3.543 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1 255863019 MCVVFFVDUJCRPF-WDZFZDKYSA-N 270.303 3.868 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cc(C)sc2C)o1 255415455 MQANCFRLWSIYQA-XQRVVYSFSA-N 290.340 3.641 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CCc2cccn2C)CCCC1 449949198 DYYCMOYKQWVDTH-HNNXBMFYSA-N 288.435 3.599 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCCCC(C)(C)C 602552667 IBDNGWCUEZCNPU-CQSZACIVSA-N 266.429 3.501 30 20 CHED C=CCC[C@@H](NCc1cn(CCCC)nc1C)C1CC1 537014671 WKEZLYXUTLFVTH-QGZVFWFLSA-N 275.440 3.826 30 20 CHED CC[C@H](NC(=O)CC(C)(C)C#N)c1cccc(Cl)c1 350787938 SERZLLQAUUBTMC-ZDUSSCGKSA-N 278.783 3.847 30 20 CHED N#Cc1ccc(NC(=O)Cc2csc3ccccc23)cc1 603743715 IHPKHOMAVSCGCP-UHFFFAOYSA-N 292.363 3.954 30 20 CHED CN(Cc1cccc(O)c1)Cc1ccccc1C(C)(C)C#N 532013871 SRESVTGKIJJWKO-UHFFFAOYSA-N 294.398 3.825 30 20 CHED CC(C)CCc1ccc(Nc2nccnc2C#N)cc1 608831074 PONNKMOVJSTVGO-UHFFFAOYSA-N 266.348 3.680 30 20 CHED C=CC[C@@H](C(=O)Nc1scnc1C)c1ccccc1 355940863 BSWSLOAIKLYLST-CYBMUJFWSA-N 272.373 3.750 30 20 CHED C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC(C)(C)C1 354619755 VOXQJMHUZLMONM-LLVKDONJSA-N 290.794 3.720 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1ccc(C#N)cc1 444589363 ISEJFCRDJQPHAX-UHFFFAOYSA-N 269.392 3.710 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H]2CCC3(CCCCC3)O2)C1 618578026 XJWDVOWAKGNGJV-OWCLPIDISA-N 276.424 3.540 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCO[C@H](C)CC(C)C)C1 617783359 YVQPTQLBWDXMIV-CVEARBPZSA-N 281.440 3.642 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 263307837 WHLYWBMJIYLLPZ-GFCCVEGCSA-N 289.375 3.590 30 20 CHED N#Cc1cc(CN2CC[C@H]2c2cccc(F)c2)ccc1F 610720108 UJITYXXLPAANAM-KRWDZBQOSA-N 284.309 3.783 30 20 CHED CS[C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 353278869 SOZVNQPZQRLRRD-ZMSDIMECSA-N 286.444 3.809 30 20 CHED C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccsc1 619789537 HMASYIUSVCSIQJ-SECBINFHSA-N 289.335 3.642 30 20 CHED C[C@@H](NC(=O)NCC1(C#N)CC1)c1cccc2ccccc12 619525803 VIFYBLGJTHGQRN-CYBMUJFWSA-N 293.370 3.504 30 20 CHED C[C@@H]1CSc2ccccc2N1CCC(C)(C)C#N 537365131 DOVADPPDHXPTRU-GFCCVEGCSA-N 260.406 3.927 30 20 CHED Cc1csc(CCN[C@H]2CCCc3cc(C#N)ccc32)n1 611390938 WPXQNMZZEICIJY-INIZCTEOSA-N 297.427 3.533 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1C[C@H]2C=C[C@H]1C2 538724353 GAQDQMOZYRUVRL-XCZFOBESSA-N 292.426 3.970 30 20 CHED C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 444881598 UPWTXIOVVZHNHM-GXSJLCMTSA-N 277.755 3.522 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC(C)C)nc2)CCC1 359151222 SLGYEWUPOLZUOH-UHFFFAOYSA-N 274.364 3.554 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2sccc2[nH]1 352507748 DARCTBZBGSCKPX-UHFFFAOYSA-N 262.378 3.562 30 20 CHED C=CC[C@@H]1N(C(=O)NCC2CCC2)CCCC1(C)C 444991079 SBTGPILOOJDOOX-AWEZNQCLSA-N 264.413 3.563 30 20 CHED CCCCN(CC)Cc1c(C#N)c(C)nn1-c1ccccc1 610664927 COSNLJGZZDOCEB-UHFFFAOYSA-N 296.418 3.674 30 20 CHED CC[C@H](C)CN(C)c1c(C#N)cnc2c(F)ccc(F)c12 610277875 DTLJQXGSXNQFSR-JTQLQIEISA-N 289.329 3.867 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccncc1Oc1ccccc1 440899331 ACWSFYOQQRYVGQ-AWEZNQCLSA-N 296.370 3.958 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 611286106 UMPSUFLHWMGNCR-NXEZZACHSA-N 299.201 3.905 30 20 CHED CC(C)[C@H](C)N(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1 264498944 FVCDBVPZBJVWQZ-KGLIPLIRSA-N 299.418 3.838 30 20 CHED CC(C)(C)C1=CCN(Cc2ccc(C#N)s2)CC1 537696086 FQQODAMGCSRHDU-UHFFFAOYSA-N 260.406 3.798 30 20 CHED C=C(C)CCNC(=O)C[C@@H](CC)c1ccc(C)cc1 452716374 HGEWXEDVUPQDHN-OAHLLOKOSA-N 259.393 3.961 30 20 CHED CC[C@H](CC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(C)C 618735333 KSJQGGZMHMQODT-RHSMWYFYSA-N 284.403 3.734 30 20 CHED C=CCC[C@H](NC(=O)CSC1CC1)c1ccccc1 450181189 PHORUFQRRXCYKX-HNNXBMFYSA-N 275.417 3.706 30 20 CHED C[C@H]1SCCN(CC2(C#N)CCC2)[C@H]1c1ccccc1 450415044 AIPODOSCHPZABQ-GDBMZVCRSA-N 286.444 3.859 30 20 CHED C=CC1CCN(Cc2cccc(O)c2Br)CC1 459360753 YTUMQJFCEFEYKC-UHFFFAOYSA-N 296.208 3.553 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1Cc1ccccc1C#N 610003947 RNQQPYGNXBIYJE-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED C=CCC1(C(=O)N2CCCC3(CCC3)C2)CCCC1 451320057 JXRMBMUVEUOEGE-UHFFFAOYSA-N 261.409 3.916 30 20 CHED CC(C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 360823044 UFSXWYSKCVSTRU-QGZVFWFLSA-N 256.393 3.961 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccccc2CC)no1)OCC 273644154 CJXRKNMPABWHRB-HNNXBMFYSA-N 286.375 3.823 30 20 CHED C[C@H](CCNC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612117527 TTWSLBGLDPKKML-QAPCUYQASA-N 299.418 3.515 30 20 CHED C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)C1CCC1 457660072 MAVCCUBPZWZEHA-XJKSGUPXSA-N 270.376 3.584 30 20 CHED C[C@@H]1COc2ccccc2CN1CCCC(C)(C)C#N 272885315 CYMPWHALQNYYAI-CQSZACIVSA-N 272.392 3.599 30 20 CHED C=CCC1(CN[C@@H](C)c2cc(C)n(C)n2)CCCC1 453336551 AIRIWBZXGYMBSF-AWEZNQCLSA-N 261.413 3.516 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(Cl)ccc1OC 453354245 NFAIPRXDSJMZJI-DFBGVHRSSA-N 295.810 3.733 30 20 CHED CCN(C(=O)Nc1cc(C)cc(C#N)c1)[C@@H](C)C(C)C 456008348 SAZJRXWYKZSEPU-ZDUSSCGKSA-N 273.380 3.765 30 20 CHED C=C(C)CCc1noc(COCc2ccccc2C)n1 621789932 IXPOHKSSCJLGEH-UHFFFAOYSA-N 272.348 3.604 30 20 CHED N#Cc1cccc(Cl)c1NCCc1nc2ccccc2[nH]1 549463156 OQAPWAAJVDWZAF-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ccc(OCC)cc1 620861212 HIOVZKFUOFWUQT-UHFFFAOYSA-N 289.419 3.879 30 20 CHED C=CCOCCCC(=O)Nc1ccc(OCCC)c(F)c1 629504992 DNZXYYCAHJEZBH-UHFFFAOYSA-N 295.354 3.536 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1cc(C)sc1C 276210284 ZUZZKFXKVNFYAU-NSHDSACASA-N 266.410 3.643 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1c(F)cc(C#N)cc1F 546183018 YMAOUJRALCWBAO-QMMMGPOBSA-N 278.224 3.979 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@@H](SC)C(C)(C)C 543165722 BPNWSALIFMOHQD-CHWSQXEVSA-N 286.485 3.808 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C#N)cc1Cl)OCC 270331436 LUPZXIJOYUPLGC-AWEZNQCLSA-N 292.766 3.521 30 20 CHED COC1(c2noc(/C=C/c3ccc(C#N)cc3)n2)CCCC1 277717516 AOSBVQKSUVPPOJ-CMDGGOBGSA-N 295.342 3.527 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 279857318 CEXHASWOCVNHIQ-GDBMZVCRSA-N 287.378 3.628 30 20 CHED CCC(=O)c1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 628692714 WHCKTXQJPRBPHV-GOSISDBHSA-N 296.370 3.692 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 373878139 LNIUOASBTRRLCT-RBOXIYTFSA-N 293.357 3.929 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc(F)cc1Cl 276356370 XPJVYODDLYUMHP-VHSXEESVSA-N 254.736 3.822 30 20 CHED N#CC1(C(=O)NCC2(Cc3ccccc3)CCCC2)CCC1 272243402 GXWOYKBCSIZEMK-UHFFFAOYSA-N 296.414 3.600 30 20 CHED CC[C@H](N[C@H](C)CCC#N)c1cc(F)ccc1F 276273842 DMABNQOASYEDOJ-YGRLFVJLSA-N 252.308 3.698 30 20 CHED C[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)C(F)(F)F 463417190 VNSXHJKOMQRJTI-SECBINFHSA-N 284.281 3.625 30 20 CHED C=C(C)CSCCOCC(F)(F)C(F)(F)F 468625072 JSGOKIYXZBWMOR-UHFFFAOYSA-N 264.259 3.510 30 20 CHED CC(C)C1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 542718480 LXMIQCZKAKGJOS-UHFFFAOYSA-N 290.794 3.720 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1ccccc1Cl 466540913 LPDVIVRGTZBUTP-GFCCVEGCSA-N 281.783 3.580 30 20 CHED N#Cc1cc(CN2CC[C@@H]2Cc2ccccc2)ccc1F 468277054 CTBNQSNAMRSOJL-QGZVFWFLSA-N 280.346 3.514 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H](OCC2CC2)C1 375720304 QUHOOYPWGHOJKI-MRXNPFEDSA-N 278.440 3.597 30 20 CHED Cc1cc2n[nH]cc2cc1Nc1nc(C)c(C#N)cc1Cl 461945107 CMGQASLNAZRENR-UHFFFAOYSA-N 297.749 3.843 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CCC)Cc1ccccc1F 620571367 ZWFNFRCDUSDBHZ-AWEZNQCLSA-N 293.382 3.546 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCNc1ccc(F)cc1C#N 462790727 MPSBSIBHNVJAQP-WBMJQRKESA-N 276.355 3.705 30 20 CHED C=CCCCC(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 375581755 KYGSXRKSUDQOLI-INIZCTEOSA-N 297.320 3.718 30 20 CHED C=C[C@@H](C)NC(=O)NCC1(c2ccc(Cl)cc2)CCC1 464755127 GQGWUNCORROZCO-GFCCVEGCSA-N 292.810 3.635 30 20 CHED CCC[C@@]1(C)CCCN(c2c(C#N)nnc3ccccc23)C1 463062421 PYJJXQXTSVSPHT-SFHVURJKSA-N 294.402 3.908 30 20 CHED CC#CCCCc1nc(Cc2c[nH]c3c(C)cccc23)no1 288924013 DJLQKIIBEJYTSR-UHFFFAOYSA-N 293.370 3.796 30 20 CHED Cc1cccc(CN(C)CCCC2(C#N)CCOCC2)c1 282143102 ZRQNUGYQTWTTAD-UHFFFAOYSA-N 286.419 3.527 30 20 CHED Cc1cc(NCC2(C#N)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] 555221964 PBWSKVHMNBLOPC-UHFFFAOYSA-N 299.252 3.638 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(OCC)c1 551506381 JAZOJDSZLLSNRI-MRXNPFEDSA-N 261.365 3.935 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1C 465239555 UNXGCLLQFRBRPM-SECBINFHSA-N 272.270 3.710 30 20 CHED C=C(C)CCc1noc(-c2ccc(OC(C)(C)C)cn2)n1 559993478 SWZTXURPDDBVHQ-UHFFFAOYSA-N 287.363 3.818 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCCc2occc2C1 288967838 YNDTWZCEJOABQL-CYBMUJFWSA-N 266.344 3.661 30 20 CHED CCC[C@H](C)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 280328838 PWVHQMRYNNMASW-ZDUSSCGKSA-N 272.392 3.748 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1cnc2ccccc2c1 471163709 AGGDVSIJPOONGX-QGZVFWFLSA-N 294.398 3.735 30 20 CHED N#Cc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c(F)c1 806579967 XKHOYBZBXCGOKA-IZZDOVSWSA-N 298.704 3.568 30 20 CHED C=CCOCCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 550077891 INWXPMJYGGXTGI-OAHLLOKOSA-N 299.336 3.949 30 20 CHED C#CC[C@@H](NC/C(Cl)=C/Cl)c1ccccc1 381540127 HIKMGCOUFMOMBX-KIWPFMIBSA-N 254.160 3.660 30 20 CHED C=CCC[C@H](CC)NCC[C@H]1C[C@H](C)O[C@H](C)C1 555233992 IDMCBFGTGRYKFZ-FZKCQIBNSA-N 253.430 3.915 30 20 CHED N#Cc1cccc(/C=C/c2nc(C3CC(F)(F)C3)no2)c1 296546226 SPQFYEDDLJXBIJ-SNAWJCMRSA-N 287.269 3.624 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2nccn2C(C)C)cc1 298259088 FRJIRJGJVBRVIB-HNNXBMFYSA-N 285.416 3.999 30 20 CHED Cc1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1C 294217835 KDAZOIRSELMUEH-QGZVFWFLSA-N 268.360 3.716 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1c[nH]c2c(CC)cccc12 473538189 GVBQTIWLZKACFE-LJQANCHMSA-N 298.430 3.991 30 20 CHED CC(C)CCC(=Nn1cc(Br)cn1)C1CC1 802711918 BKBAGKWIRZOPKI-UHFFFAOYSA-N 284.201 3.696 30 20 CHED CC(C)Oc1c(Cl)cccc1NC(=O)CCCC#N 291388022 CODOUYNWQDRGPX-UHFFFAOYSA-N 280.755 3.760 30 20 CHED C=CCCCCNC(=O)c1ccc(C(F)(F)F)c(F)c1 474190281 DCJVFQYFSJHZBS-UHFFFAOYSA-N 289.272 3.931 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccccc1OC(C)(C)C 806273871 IJFJVUBABSZZPA-CYBMUJFWSA-N 288.391 3.787 30 20 CHED CCOc1ccccc1C=NOCCSC(C)C 800868160 UGOACHIHCBJYSH-UHFFFAOYSA-N 267.394 3.577 30 20 CHED COc1cccc([C@@H]2CCCN2c2ccc(C#N)c(C)n2)c1 291699154 UDZDRJUXCJSWSG-KRWDZBQOSA-N 293.370 3.612 30 20 CHED N#CCCC1CCN(CCc2ccc(F)c(F)c2)CC1 569967405 XNLNRHWAWLEYLM-UHFFFAOYSA-N 278.346 3.523 30 20 CHED CC(=NNc1ccccn1)c1cc(Cl)cc(C)c1O 807949822 LAAPJOYDUAMBES-UHFFFAOYSA-N 275.739 3.585 30 20 CHED CSC1(C=NNc2ccc3ccccc3n2)CCC1 800804807 DGGYRTVXLXXZJT-UHFFFAOYSA-N 271.389 3.918 30 20 CHED Cc1cc(OCc2ccc(CC#N)cc2)ccc1[N+](=O)[O-] 399072650 OGPLUQBTXINEPQ-UHFFFAOYSA-N 282.299 3.548 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2scc(C)c2C#N)o1 809005581 MBEGGIMJGBUWHF-SNVBAGLBSA-N 274.345 3.572 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1ccc(C#N)cn1 568526924 MVKATZHGNNAZRN-IBGZPJMESA-N 293.414 3.715 30 20 CHED C=CCCCC(=O)OCc1c(Cl)cccc1C(=O)OC 803378329 OVCFSRGLWDLXKV-UHFFFAOYSA-N 296.750 3.526 30 20 CHED CC(C)C(C)(C)NC(=O)C[C@@H](CC#N)c1ccccc1 568579777 LUWNUKVWDUDOQS-OAHLLOKOSA-N 272.392 3.625 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)oc1C(F)(F)F 488824163 ZHOSAVSCHHUIOC-JTQLQIEISA-N 287.281 3.788 30 20 CHED Cc1ccc(N(CCOCCC#N)Cc2ccco2)cc1C 815068745 BGYFGJGEFXUDDR-UHFFFAOYSA-N 298.386 3.833 30 20 CHED O=c1[nH]ccc2cc(NN=C3CC[C@@H]3C3CCC3)ccc12 814923817 BTPOXRNIINJHBZ-CQSZACIVSA-N 281.359 3.506 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)N2CCC(CCC#N)CC2)CC1 572597333 HCUBQPBIFJIVFU-ZBFHGGJFSA-N 291.439 3.681 30 20 CHED COc1cccc(NN=C2CS[C@H](C(C)C)C2)c1 814778485 HSSIWDXVJUMRPX-AWEZNQCLSA-N 264.394 3.625 30 20 CHED C=CCCN(C)C(=O)Nc1cnn(-c2ccc(C)cc2)c1C 650528888 TUXMKCRJYDQFMK-UHFFFAOYSA-N 298.390 3.529 30 20 CHED Cc1ccc2c(c1C)C(=NN[C@H](C)c1ccncc1)CCO2 819815077 LOVPVQDLKXBYOZ-CQSZACIVSA-N 295.386 3.536 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1ccccc1Cl)OCC 577900281 LSMQMERLCPVTDS-SWLSCSKDSA-N 295.810 3.889 30 20 CHED CC[C@@]1(CNc2ccc(C#N)cc2)OCCc2ccccc21 572850386 DRKILLPYTCKYMI-IBGZPJMESA-N 292.382 3.848 30 20 CHED C=C[C@](C)(O)CC(=O)N1CCC[C@H]1CCC1CCCCC1 576405556 BGVMZYVYEGLXKS-WMZOPIPTSA-N 293.451 3.665 30 20 CHED Fc1ccc(NN=Cc2ncc(Cl)s2)c(F)c1F 814945851 TXWBHYUPORHERV-UHFFFAOYSA-N 291.685 3.660 30 20 CHED C=CCCCCCCCNC(=O)N(C)Cc1cscn1 811926923 GMFNBTBNULDJFN-UHFFFAOYSA-N 295.452 3.811 30 20 CHED Cc1nc(Oc2c(F)c(F)cc(F)c2F)ccc1C#N 487934848 PNNHLRFWXUMTIG-UHFFFAOYSA-N 282.196 3.610 30 20 CHED C/C(=C\C(=O)N(CCC#N)C(C)C)c1ccccc1Cl 727376181 IYGMNFQAHFFXRJ-ACCUITESSA-N 290.794 3.894 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 727637271 VUNPSWDABXGOKO-CYBMUJFWSA-N 265.312 3.785 30 20 CHED Cc1cc(Cl)nc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 810241423 SUXDTEXTWNIPHH-MRXNPFEDSA-N 297.789 3.692 30 20 CHED C/C(C=NOC/C=C\Cl)=C/c1cccc([N+](=O)[O-])c1 811672286 VNRLOFYXJSJZDA-NFDJHMJLSA-N 280.711 3.753 30 20 CHED Fc1ccc(C=NNc2ccccc2F)c(F)c1 812458435 CFLCNHCHPQLMHX-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(CC)C[C@H](C)C#N 484389610 YKEXWTQZZPXXIQ-GDBMZVCRSA-N 278.440 3.991 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1ccc(F)cc1 727255859 JPTRAGTUDOHGOT-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@H](C)C[C@H]1CC 571809494 NYNHPYRYEUNOMU-GDBMZVCRSA-N 296.418 3.756 30 20 CHED CCOc1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1 727635090 CNTSGHNHHTXHDT-ZDUSSCGKSA-N 295.338 3.875 30 20 CHED C[C@H]1CCCC1=NNC(=S)Nc1cccc(Cl)c1 729144159 QODMVLPTMNALGT-VIFPVBQESA-N 281.812 3.802 30 20 CHED CCCOC1(CNCc2ccc(C#N)cc2)CCCCC1 574646090 ROIGJQMJRAFJTM-UHFFFAOYSA-N 286.419 3.777 30 20 CHED C=CCCCCNc1cccc(NC(=O)OC)c1C 496073371 VDSSORNURKKUNZ-UHFFFAOYSA-N 262.353 3.942 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccccc1N(C)C1CCCC1 491623526 IPBLVGGKXPJSFO-CQSZACIVSA-N 299.418 3.551 30 20 CHED C=CCCC(=O)N(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 726628383 AEXCKDOXEDFBRV-SOUVJXGZSA-N 261.409 3.770 30 20 CHED Cc1c(C#N)c(NC[C@H]2CCC=CO2)nc2ccccc12 827979790 WNRJWMCQKFOXCF-CYBMUJFWSA-N 279.343 3.520 30 20 CHED C=CCCNC(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 665945832 OGQDAEJPGDTQNN-SJORKVTESA-N 286.419 3.849 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C(=O)O)c1cccc(C)c1C 901854080 YYBRTHIRYMDYQK-DUVNUKRYSA-N 275.392 3.619 30 20 CHED CSCc1ccc(CNC(=O)CCCCCC#N)cc1 588167054 DQBLZCZRMVQKDQ-UHFFFAOYSA-N 290.432 3.640 30 20 CHED CC(C)(C#N)N1CCC[C@@H](c2nc3ccccc3s2)C1 583601980 FEMUMRKYOAJSCP-GFCCVEGCSA-N 285.416 3.778 30 20 CHED O=C(/C=C\c1ccsc1)c1cccc(F)c1F 588386878 HWSQYSWZWPQFBA-PLNGDYQASA-N 250.269 3.922 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1cc(F)c(F)c(F)c1 588618328 NEUCHOWOLDOEIA-WAYWQWQTSA-N 287.240 3.872 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc3nc(O)[nH]c3c2)c1 734981883 XUAZWVZVPYMVOZ-DAXSKMNVSA-N 296.301 3.612 30 20 CHED Cc1cc(Br)cc2c1[C@H](NCCCC#N)CC2 494753659 ZVBPTJXAVWBILZ-CYBMUJFWSA-N 293.208 3.638 30 20 CHED C=C(CNC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 495426797 NLASNHPSAKKXAK-HNNXBMFYSA-N 280.371 3.760 30 20 CHED CCO[C@H](C/N=C\c1ccccc1O)c1ccccc1 588597144 UGKLWDYMBCDZDS-ZCWPUFOUSA-N 269.344 3.589 30 20 CHED C=CCC(=NNc1ccc(F)cn1)c1ccc(F)cc1 735615576 PAELGTUPHDJOBZ-UHFFFAOYSA-N 273.286 3.752 30 20 CHED N#Cc1ccc(NN=Cc2cnn(C3CCC3)c2)cc1Cl 901216796 HJBHYEAAJMSTML-UHFFFAOYSA-N 299.765 3.579 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc2ccncc12 830109475 SZRZONLTKIVAFE-UHFFFAOYSA-N 282.343 3.722 30 20 CHED Cc1scc(C(=O)N(O)Cc2ccc(F)cc2)c1C 901372412 YMGVJNOXHBHGPH-UHFFFAOYSA-N 279.336 3.536 30 20 CHED C=CCONC(=O)Nc1ccc2nc(C(C)C)sc2c1 836339248 COKJPFHOODOVHG-UHFFFAOYSA-N 291.376 3.659 30 20 CHED N#CCCCCCc1nc(Cc2c(F)cccc2F)no1 589083158 HZNYIQJGUHFEHE-UHFFFAOYSA-N 291.301 3.565 30 20 CHED C=CCCC(=O)Nc1ccc(N(C)CCCC)cc1 730508913 WKWGLFBSYYNNJQ-UHFFFAOYSA-N 260.381 3.828 30 20 CHED CCn1cc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cn1 732528809 ZOHOBNMWLDFGCO-CQSZACIVSA-N 284.407 3.711 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839047007 BUXWHAIHZDZFPU-IVMMDQJWSA-N 289.350 3.630 30 20 CHED CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 835038044 UCXRGCYSWMCMBQ-KBPBESRZSA-N 297.402 3.822 30 20 CHED CC(C)(C)C[C@H](NC(=O)C#CC1CC1)c1ccc(F)cc1 837350485 UCIYWSRZDKMSGJ-INIZCTEOSA-N 287.378 3.833 30 20 CHED C=CCC[C@H](C)OC(=O)C[C@]1(C)CC1(Cl)Cl 835266685 BVWMURVEMLOUNL-GXSJLCMTSA-N 265.180 3.858 30 20 CHED CC1(C)CCC1=NNc1cc(C(F)(F)F)ccn1 834984195 REAHYNPZRPUBQZ-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C=CCCCOC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 735531123 XJDXCAIFOUBAQU-GFCCVEGCSA-N 282.767 3.925 30 20 CHED C=CCC[C@H](C(=O)O[C@H]1CCOC[C@@H]1C)c1ccccc1 835771473 KBXOVSLPVKICRQ-XIRDDKMYSA-N 288.387 3.705 30 20 CHED Fc1ccc(F)c(C=NNc2ccccc2F)c1 915958016 HZHZAVXFWJJGJL-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C[C@H](CC(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1 839043176 KIQHLDBMCZWHKK-YCPHGPKFSA-N 271.360 3.806 30 20 CHED CC(C)OCCNc1ccc(OC(C)(C)C)c(C#N)c1 834637023 ZSJYOMGOWNBAGM-UHFFFAOYSA-N 276.380 3.572 30 20 CHED C=C[C@H](OC(=O)[C@@H]1CC12CCSCC2)C(C)(C)C 835392073 VXDFCNVNXPAAQD-RYUDHWBXSA-N 268.422 3.664 30 20 CHED CCCCNN=Cc1ccc(Oc2cccnc2)c(C)c1 732712956 TZWMDRUDDXROIA-UHFFFAOYSA-N 283.375 3.906 30 20 CHED COc1ccc2cc(C=NN[C@@H](C)C(F)(F)F)ccc2c1 834996001 NEDGFKBFKUXAHA-JTQLQIEISA-N 296.292 3.723 30 20 CHED CC(C)Sc1ccc([C@@H](C)NC(=O)C#CC2CC2)cc1 837396051 ZMKFZCMYAMQHRU-CYBMUJFWSA-N 287.428 3.778 30 20 CHED C#CCCCCCC=NOCc1ccccc1OC 834975939 SKSVSNQNNCZCCW-UHFFFAOYSA-N 259.349 3.781 30 20 CHED COc1cc(CSCc2ccc(C#N)cc2C)ccn1 591407552 SAWFFINJACXLPF-UHFFFAOYSA-N 284.384 3.704 30 20 CHED C#CCOc1ccc(CN[C@@H](C)C2CCCCC2)cc1 742373262 IRCSUGUSOWZNPD-HNNXBMFYSA-N 271.404 3.757 30 20 CHED C[C@H](OC(=O)c1cnc(C2CC2)s1)c1ccc(C#N)cc1 748681137 ZTOISATXZTUZAL-JTQLQIEISA-N 298.367 3.810 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](CC#N)C2)CCCCC1 597897138 KBLCWLFQVABPJV-OAHLLOKOSA-N 274.408 3.665 30 20 CHED CCCCCCCCOCC(=O)N1CCC(C)CC1 741660643 YDLALJYINKVDOY-UHFFFAOYSA-N 269.429 3.622 30 20 CHED C=C(C)CCOC(=O)c1cnn(-c2ccccc2)c1C1CC1 744304118 GAMHFPSAALOJEE-UHFFFAOYSA-N 296.370 3.873 30 20 CHED Cc1ccc(CCCCC(=O)OCC2(CC#N)CC2)cc1 744275807 ZYUNRIVEKPGJJS-UHFFFAOYSA-N 285.387 3.945 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)N2CCC[C@@H](CC#N)C2)C1 595646722 MVNKWSNNSCXBKR-LSDHHAIUSA-N 291.439 3.538 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H]1c1ccc(F)cc1 595705870 XGZIMKAOAONWJO-SFHVURJKSA-N 280.346 3.953 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)CCC(C)(C)C)cc1 843425138 FLGHTCKACPWQLC-CQSZACIVSA-N 274.408 3.845 30 20 CHED C#CCN(C(=O)c1cc2cccc(F)c2o1)C1CCCCC1 741912664 SCPGZQIUAJSJKO-UHFFFAOYSA-N 299.345 3.980 30 20 CHED C[C@@H](C(=O)OCCCC#N)c1ccccc1C(F)(F)F 745310180 ANIULBBRXLIQAN-SNVBAGLBSA-N 285.265 3.656 30 20 CHED COc1cccc(/C=N\[C@@H]2C[C@H]2C2CCCCC2)c1O 741465379 VBSIJENPUOMJEB-UCEVQLITSA-N 273.376 3.789 30 20 CHED C=CCN(C(=O)C1(c2cccc(Cl)c2)CCC1)C1CC1 680397809 AYMSPVYRTDDCNJ-UHFFFAOYSA-N 289.806 3.939 30 20 CHED Cc1nc(C=NNc2ccccc2Cl)cs1 916262834 PXFAKFQVKZEVHN-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CC(C)CCOc1ccc(NCCO[C@H](C)C#N)c(F)c1 848665343 UQOSJERQJOUCSL-CYBMUJFWSA-N 294.370 3.591 30 20 CHED C=CCN(C(=O)N[C@@H](C)[C@H](C)c1ccccc1)C(C)C 747587990 APJJQXRGTSNSNA-GJZGRUSLSA-N 274.408 3.785 30 20 CHED Cc1c(Br)cccc1CN(C1CC1)[C@H](C)C#N 595713711 VLRTVOCPRUDYHZ-SNVBAGLBSA-N 293.208 3.634 30 20 CHED Cc1ccc(C2(C(=O)N(CCC#N)CC3CC3)CCC2)cc1 591761319 LZAYTXYRCPOQBV-UHFFFAOYSA-N 296.414 3.569 30 20 CHED C=C[C@H](C)ON=C1CC(c2cc(F)cc(F)c2)C1 844620275 JJJMNIXSBQGYST-FTNKSUMCSA-N 251.276 3.789 30 20 CHED CC(=NOCc1cccnc1)c1ccc2cc(O)ccc2c1 746588567 QCSPHHZHIQXHTL-UHFFFAOYSA-N 292.338 3.881 30 20 CHED C#CCCCC(=O)OCCO[C@@H](CC)c1ccccc1 845152609 LHSCOQYJSOBULW-INIZCTEOSA-N 274.360 3.501 30 20 CHED N#CC1(CC(=O)OCc2ccc(F)cc2)CCCCC1 849904971 PJZXADCRIREAKU-UHFFFAOYSA-N 275.323 3.733 30 20 CHED CC(C)CON=Cc1csc(-c2cccs2)n1 749636443 JPLWORJEDXAMCM-UHFFFAOYSA-N 266.391 3.878 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)Oc2ccccc21 742435835 DGFNCSXYFVMHTJ-RIYZIHGNSA-N 258.223 3.581 30 20 CHED Cc1ccc2[nH]c(C(=O)OCC3(CC#N)CC3)cc2c1C 744277645 ZUPRCCZFVZVLPD-UHFFFAOYSA-N 282.343 3.635 30 20 CHED C#CC[C@H](NC(=O)/C=C1\CC[C@H](C)C1)c1ccccc1 757578899 MDMVVBKLNSPPKF-ZBVFGLGXSA-N 267.372 3.614 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(C)c([N+](=O)[O-])c1 750938746 NOPWTRZHGAQWQU-UHFFFAOYSA-N 287.294 3.797 30 20 CHED CC(C)Oc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851214538 RQOUSXKCMNZRPF-ZDUSSCGKSA-N 289.375 3.959 30 20 CHED C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)c2c(O)ccc(F)c21 756394787 YKSZMIQSBJTHSI-IAQYHMDHSA-N 296.345 3.741 30 20 CHED N#Cc1ccc(NN=Cc2ccccc2C2CC2)cc1 751131183 SJMPQUOKUUFKRS-UHFFFAOYSA-N 261.328 3.882 30 20 CHED C#CC[C@H](NC(=O)c1cc(C)c(F)cc1F)c1ccccc1 757594967 CYJOTJYMIOVLDF-KRWDZBQOSA-N 299.320 3.768 30 20 CHED C=C(C)CCN[C@@H](c1ccccn1)c1ccccc1OC 926517327 AOVJSOVKWZIBKA-GOSISDBHSA-N 282.387 3.735 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCCN(c2ccccc2)C1 926322966 USIDNQPHGWAPMR-IAGOWNOFSA-N 299.462 3.821 30 20 CHED C#CCOC(=O)C1(c2cccc(Cl)c2)CCCCC1 928986277 LEURJLQYVPOXFN-UHFFFAOYSA-N 276.763 3.718 30 20 CHED Cc1nnc(-c2cccc(N[C@@H](C)CC(C)(C)C#N)c2)n1C 926101794 RLCFGNXABIBFAQ-LBPRGKRZSA-N 297.406 3.531 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 49262508 OSVZXOCFIHXKBK-JQWIXIFHSA-N 291.782 3.912 30 20 CHED N#CCc1cccc(NC(=O)N(Cc2ccoc2)C2CC2)c1 931687394 WZDMLYOAWYOEDU-UHFFFAOYSA-N 295.342 3.542 30 20 CHED N#Cc1ccccc1NC(=O)c1cccc(C2CC2)c1 1523592862 WGFMRZRLNRHOHX-UHFFFAOYSA-N 262.312 3.688 30 20 CHED Cc1ncsc1/C=C1\Cc2c(F)cc(F)cc2C1=O 751536519 RQKNOZUGRFPGHV-FPYGCLRLSA-N 277.295 3.552 30 20 CHED C#CCOc1ccc([C@@H](C)NC2CCCCC2)cc1 764550292 MHZTXEROQOZYSL-CQSZACIVSA-N 257.377 3.682 30 20 CHED CCCCCCCN1CCO[C@H](c2cccc(C#N)c2)C1 761759529 DUOXILOHSSXYJZ-SFHVURJKSA-N 286.419 3.902 30 20 CHED COc1cc(F)ccc1NN=CC1=Cc2ccccc2OC1 761885725 YJKGWNUSJIMNRT-UHFFFAOYSA-N 298.317 3.708 30 20 CHED CC[C@H]1C[C@H](CC(=O)OCCCCC(C)(C)C#N)CCO1 768849483 GJGJHNMTVQWHMS-CABCVRRESA-N 295.423 3.845 30 20 CHED CCCCCCCNC(=O)CSc1ccc(C#N)cc1 862359344 JBOWELVJMQFSKV-UHFFFAOYSA-N 290.432 3.737 30 20 CHED CC1CC(C#N)(C(=O)OCc2ccccc2C(F)(F)F)C1 767431498 QFCZJKACDJYWNB-UHFFFAOYSA-N 297.276 3.688 30 20 CHED CCC1(C(=O)OCc2ccccc2C(C)(C)C#N)CC1 768038749 FLDPZEAMERUWAY-UHFFFAOYSA-N 271.360 3.721 30 20 CHED CCc1noc(C)c1C(C)=NNc1ccc(F)cc1F 769795642 PCARLIQYMRYSCQ-UHFFFAOYSA-N 279.290 3.660 30 20 CHED CCO[C@H]1CCCC1=NNc1ccc(Cl)c(F)c1 766454544 JGGGHEVMNGFQOO-ZDUSSCGKSA-N 270.735 3.836 30 20 CHED C#CCOc1cccc(-c2noc([C@@H]3CC34CCCC4)n2)c1 761781391 GUKJTOHNVOJNEO-HNNXBMFYSA-N 294.354 3.796 30 20 CHED N#Cc1ccc(CNN=C2CCc3c(Cl)cccc32)cc1 769820688 MBVTZPUTZOKCDH-UHFFFAOYSA-N 295.773 3.652 30 20 CHED Cc1cccc([C@H](C)CNC(=O)CC#Cc2ccccc2)c1 1116273517 IUZOEJWCIXEOJV-QGZVFWFLSA-N 291.394 3.657 30 20 CHED C(=NNc1nc(-c2ccccc2)no1)[C@@H]1C[C@H]2CC[C@H]1C2 762428242 XXQGEPNIZDBQBW-UBHSHLNASA-N 282.347 3.571 30 20 CHED Cc1cc(/C=C2/Oc3cc(F)ccc3C2=O)ccc1C#N 773174772 XEBWIHJQHANATG-FRKPEAEDSA-N 279.270 3.622 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc(Cl)cc(Cl)c1F 870310370 WLJCUWFRJHMDKY-MRVPVSSYSA-N 290.121 3.982 30 20 CHED Clc1cccc2c1SCCC2=NOC1CCOCC1 774432116 AMYJDEQYFUJZJC-UHFFFAOYSA-N 297.807 3.736 30 20 CHED C=CCN(C)C(=O)Nc1ccc2nc(SC)sc2c1 779390153 FFXOSZZAIYZKAM-UHFFFAOYSA-N 293.417 3.668 30 20 CHED C#Cc1cccc(N(C)Cc2ccc(CF)cc2)c1 777579367 ZUOIHAMBALDDKT-UHFFFAOYSA-N 253.320 3.774 30 20 CHED C#CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 776168254 ANXOGLNCCBSFOD-KXBFYZLASA-N 274.367 3.973 30 20 CHED C#CCCCCCCN[C@@H](C)C[C@H](O)c1cccs1 877131430 ZZMKAWUJDREOPW-GJZGRUSLSA-N 279.449 3.733 30 20 CHED Cc1cc(C#N)ccc1Cn1ccc(-c2ccc(C#N)cc2)n1 776745510 GWUXBCSVRYZZPB-UHFFFAOYSA-N 298.349 3.650 30 20 CHED CCC(=NNc1nccnc1C(C)C)c1cccs1 773086686 SCAWFLCDYVWTCE-UHFFFAOYSA-N 274.393 3.888 30 20 CHED C#CCCSc1nc2cc(F)cc(Cl)c2o1 775235365 SMQPYVCQAKTKRM-UHFFFAOYSA-N 255.701 3.736 30 20 CHED C=C1CCC(C(=O)Nc2cccc(-c3nccn3C)c2)CC1 888292815 UJNQPBWKTQCPGH-UHFFFAOYSA-N 295.386 3.772 30 20 CHED CC[C@@H](C)CC(=O)[C@H](C#N)c1nccn1Cc1ccccc1 1122606862 RTLZZBFLPSCYBH-ZBFHGGJFSA-N 295.386 3.544 30 20 CHED Cc1cc(CN[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1C#N 1461024480 UQMWHVJMFLLRNI-OAOQPFQOSA-N 268.404 3.781 30 20 CHED C=C(Br)CN1C[C@H](C(F)(F)F)CC[C@H]1C 780385131 MCQLKYBPISNSIO-RKDXNWHRSA-N 286.135 3.558 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 781185155 PYNQDPCXXKDYKR-QWRGUYRKSA-N 295.404 3.606 30 20 CHED C=CCC[C@H](C)N[C@H](C(C)C)[C@H](O)c1ccccc1 788623185 VKITVECYCATZOC-USXIJHARSA-N 261.409 3.689 30 20 CHED CCCCCCCCNC(=O)N1CCC(CCCO)CC1 782736428 MRPUIYHBZGSIRO-UHFFFAOYSA-N 298.471 3.541 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1C(=O)OCCC1CCC1 783440919 BLCIPXAMWULBKX-UHFFFAOYSA-N 297.276 3.924 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cc(C)nn2C)c(C)c1 789155880 GBEAOEQIPBEEKD-SREVYHEPSA-N 268.360 3.550 30 20 CHED CCCCCCCS(=O)(=O)C/C(C)=C\Cl 899495048 AANSBMRLEVGFCT-LUAWRHEFSA-N 252.807 3.514 30 20 CHED C=C1CC(c2noc(CCCOc3ccc(C)cc3)n2)C1 896890661 MRHYSIWSXNTXOA-UHFFFAOYSA-N 284.359 3.823 30 20 CHED CC(C)c1ccc(CNc2cnccc2C#N)cc1 83385236 ZJNQHAPOZXRNSF-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1c[nH]c2cc(C)ccc12 785863477 ZYKKEFMXKKGQLU-HNNXBMFYSA-N 282.387 3.586 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1ccccc1O 782341900 MLXNEWJONGNNEP-SOFGYWHQSA-N 275.307 3.837 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1cc(C)ccc1C 782442167 HHRXDJZALIAHLR-QGZVFWFLSA-N 276.376 3.575 30 20 CHED Cc1ccnc(N2CCC(c3cccc(F)c3)CC2)c1C#N 784164400 WCWYFJXBKBNYGN-UHFFFAOYSA-N 295.361 3.785 30 20 CHED CCC[C@@H](C)OC(=O)c1cc(-c2cccc(C#N)c2)no1 789122831 XIHDOTNCGHCHOC-LLVKDONJSA-N 284.315 3.559 30 20 CHED C#CCC1(c2nc([C@@H]3CC3(Cl)Cl)no2)CCCCC1 896810406 NNARFLNIPVKKJE-JTQLQIEISA-N 299.201 3.956 30 20 CHED CCCCCCCC(=O)NCc1noc2ccccc12 791178597 GCGBSZXITPJHKM-UHFFFAOYSA-N 274.364 3.805 30 20 CHED C=C(Cl)CN1CC=C(c2ccc(F)cc2)CC1 795222071 HJBDAUVNTDACOX-UHFFFAOYSA-N 251.732 3.667 30 20 CHED CC(C)=CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797573186 OPYCGHFVUNGMFL-SNVBAGLBSA-N 262.378 3.583 30 20 CHED C[C@@H](CCCCO)Nc1ccc(C(F)(F)F)c(C#N)c1 278436213 JXQYJXHGAOBUHA-JTQLQIEISA-N 286.297 3.540 30 20 CHED CC#CCCCC(=O)OCc1ccc(C(C)(C)C)nc1 797295665 SXNNSRHKECPCKH-UHFFFAOYSA-N 273.376 3.616 30 20 CHED CO[C@@H](CSCC1(CC#N)CC1)c1ccccc1 596360410 GWFPQFPRHFOPTD-AWEZNQCLSA-N 261.390 3.801 30 20 CHED CC(CC(C)(C)c1c[nH]c2ccccc12)=NN[C@H]1CCOC1 799487121 CJGRQKYPNZLKDR-AWEZNQCLSA-N 299.418 3.590 30 20 CHED CCC(CSc1ccccc1[N+](=O)[O-])=NN[C@H](C)CC 790182824 LNVIGTRGJTVDJE-LLVKDONJSA-N 295.408 3.841 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)c(C)o2)c(OC)c1 799897117 MYRZWPYVAINLIA-VURMDHGXSA-N 286.327 3.810 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 714399209 FXEOODMQIBXSCK-ZWNOBZJWSA-N 276.767 3.976 30 20 CHED C[C@@H](NN=C1CCC[C@H]1c1ccccn1)C(C)(C)C 793115819 PFXCETIQOHUBRX-OLZOCXBDSA-N 259.397 3.729 30 20 CHED Cc1ccc(C(=O)N2CCCC[C@@H]2CC(C)C)cc1C#N 799348800 QBPYZCPBNTUWGZ-QGZVFWFLSA-N 284.403 3.908 30 20 CHED CN(Cc1cc(O)cc(Cl)c1)Cc1cccc(C#N)c1 1140790727 IUEZMZPNQOAUOR-UHFFFAOYSA-N 286.762 3.549 30 20 CHED Cc1cc(/C=C2/COc3cc(F)ccc3C2=O)cc(C)c1O 794726365 BPRVQLZXOMVJOC-QPEQYQDCSA-N 298.313 3.807 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc2c(F)cccc12 797836486 RBQHEEWPRQTRIQ-PXAZEXFGSA-N 286.350 3.767 30 20 CHED C=CC[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1 668493350 MYDWLJLORMDDOD-LBPRGKRZSA-N 262.422 3.809 30 20 CHED CCc1ccc(CN[C@H](C)CC(C)(C)C#N)s1 695860398 UVSMTOINEIGZNW-LLVKDONJSA-N 250.411 3.728 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Sc1cccc(F)c1 84489447 IRUWTMPGUSMVIY-UHFFFAOYSA-N 274.276 3.757 30 20 CHED C[C@H](Cc1cccs1)N(C)c1cccc(F)c1C#N 93406701 UQKNZJRZFCAWRZ-LLVKDONJSA-N 274.364 3.826 30 20 CHED C=CCN(CC=C)Cc1ccc(Cl)nc1Cl 788011883 OIPKTZISFQBENU-UHFFFAOYSA-N 257.164 3.562 30 20 CHED CCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1C 1308859454 LVXRHWDDCUWMIE-INIZCTEOSA-N 286.419 3.910 30 20 CHED CCC(=O)c1cccc(NC(=O)CC#Cc2ccccc2)c1 1319299372 RMZMUVQFDVCTLH-UHFFFAOYSA-N 291.350 3.660 30 20 CHED COc1cc(C=NOC(C)(C)C)ccc1SC 1320325405 LVXOGGPRNZYVGC-UHFFFAOYSA-N 253.367 3.566 30 20 CHED C=CCn1cnnc1S[C@H](CC)c1ccc(F)cc1F 1323830977 JVXJXJVXOJTYPH-CYBMUJFWSA-N 295.358 3.986 30 20 CHED C=CCCc1nnc(C23CC4CC(CC(C4)C2)C3)o1 1323827263 UMGYCWZADUPMBK-UHFFFAOYSA-N 258.365 3.656 30 20 CHED CCCCC[C@@H]1CCCN1c1cccc(CC#N)n1 1325710816 VMMLTLBWQJPDAQ-OAHLLOKOSA-N 257.381 3.697 30 20 CHED Cc1ncc([C@@H](C)Nc2cc(C#N)cc(Cl)n2)s1 1339791913 BQXXIBNRBHSDMF-SSDOTTSWSA-N 278.768 3.545 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2oc3ccccc3c2C)n1 1184998491 DBOXASXXVATZGE-LLVKDONJSA-N 292.342 3.884 30 20 CHED CCC1(CNc2cccc(CC#N)n2)CCCCC1 1338243948 PBOXFGWFBKGQJM-UHFFFAOYSA-N 257.381 3.920 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CCc2c(F)cccc21 1330693539 CBNLNCUTMMMVOO-OAHLLOKOSA-N 282.318 3.805 30 20 CHED CN(CCCC(C)(C)C#N)Cc1cc2ccccc2[nH]1 1340110528 RFXVROHHDWECSQ-UHFFFAOYSA-N 269.392 3.930 30 20 CHED Cc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)c(F)c1 1348059008 PFQDAMZTODTRGO-CQSZACIVSA-N 282.318 3.770 30 20 CHED C[C@@H]1C/C(=C\c2cccnc2N(C)C)C(=O)c2ccccc21 1346403643 WSEJSRNKFVXQSF-MLJWKTOOSA-N 292.382 3.921 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(OC)ccc1F 1345249719 IJLXKFJQNNZZHO-GFCCVEGCSA-N 292.354 3.797 30 20 CHED N#CCCCSCc1ccc(Oc2ccccc2)nn1 1343547455 JVDOFEPIKMZWHJ-UHFFFAOYSA-N 285.372 3.806 30 20 CHED C=C(CC)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 1348547437 GLTMCCNYHGFRTH-UHFFFAOYSA-N 287.338 3.533 30 20 CHED C=CCCCc1nnc(COc2cc(C)cc(C)c2)o1 1346601521 RYVIIDOYPPQBLZ-UHFFFAOYSA-N 272.348 3.774 30 20 CHED N#Cc1ccc(-c2nnc(CCCc3cccs3)o2)cc1 1341531899 MTVORFIGPVXCEE-UHFFFAOYSA-N 295.367 3.845 30 20 CHED C[C@@H]1[C@@H](OC(=O)[C@@]2(C#N)CC23CCCC3)CCC[C@H]1C 1358222733 NNXOIDGICQUOIF-FHIRATQRSA-N 275.392 3.828 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2ccc(C#N)c(Cl)c2)C1 1352586068 HOCDDNQSAJKQIO-MFKMUULPSA-N 277.751 3.947 30 20 CHED C[C@@H]1Cc2ccccc2N1Cc1cccc(C#N)c1F 219514332 REJIJIADFOPPGI-GFCCVEGCSA-N 266.319 3.649 30 20 CHED O=C1/C(=C\c2cccc(Cl)c2)Oc2cc(O)ccc21 543183 CVYVPSFTNGZDMR-VGOFMYFVSA-N 272.687 3.662 30 20 CHED CC(C)c1nc(C(=O)Nc2cc(C#N)ccc2F)cs1 1528040823 PAEFMTIOZKAZEL-UHFFFAOYSA-N 289.335 3.530 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)C1CCC1)c1cccs1 1525965256 YRFRKBSYNIXQPO-GWCFXTLKSA-N 263.362 3.682 30 20 CHED CC[C@H](C)CN(CC)C(=O)[C@H](CC#N)c1ccccc1 1539984416 NUVQVAGOQAHXIQ-GOEBONIOSA-N 272.392 3.578 30 20 CHED Cc1ccccc1[C@@H](Nc1ccc(CCC#N)cc1)C(=O)O 1600568158 ASZMPBYQRYNDIC-QGZVFWFLSA-N 294.354 3.689 30 20 CHED Cc1cc(NCc2cccc(-c3cnco3)c2)ncc1C#N 1472821769 WNSHHBBFZSRUSP-UHFFFAOYSA-N 290.326 3.529 30 20 CHED N#Cc1cccc(Cl)c1NCc1cccc(C(=O)O)c1 1610630666 BQWZWFJJOLWFCL-UHFFFAOYSA-N 286.718 3.522 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(F)cc(C#N)c1 1624287743 QJOHCAVJMYYYQU-WCQYABFASA-N 274.339 3.852 30 20 CHED C=C(CNC(=O)NC1[C@@H](C)CCC[C@@H]1C)c1ccccc1 1635923528 NUTXBDHFWYYXNX-KBPBESRZSA-N 286.419 3.824 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(Cl)n1 121658610 FIOGXMSABDBCAF-UHFFFAOYSA-N 286.762 3.563 30 20 CHED CC(C)Oc1ccc([C@@H](C)NCC(C)(C)C#N)cc1 122298974 NWJSPCOWPAVQGL-CYBMUJFWSA-N 260.381 3.674 30 20 CHED C[C@@H](SCc1ccncc1)c1cccc(C#N)c1 1652237860 XUOJATJOAZWHHU-GFCCVEGCSA-N 254.358 3.948 30 20 CHED CC1(C)CCC[C@H]1CNCc1cccc(F)c1C#N 1652522163 FEYBGSSZVAYIOT-ZDUSSCGKSA-N 260.356 3.613 30 20 CHED CCOc1cc(NC(=O)c2csc(C#N)c2)ccc1C 1587220476 FZRIEVCXJNQUTQ-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C=C(CC)CS[C@@H](Cc1ccc(C)cc1)C(=O)O 1588607219 WQJLPGHWPLSORE-AWEZNQCLSA-N 264.390 3.690 30 20 CHED Cc1cccc(C(=O)/C=C\c2csc(C(=O)O)c2)c1C 1777443838 OKROQARBMRCAJI-SREVYHEPSA-N 286.352 3.959 30 20 CHED Cc1cc(C=NNc2cccc(C(=O)O)c2C)c(C)s1 1776087151 LDPGIUTXEMYEOJ-UHFFFAOYSA-N 288.372 3.818 30 20 CHED Cc1c(NN=C2CC(C)(C)C[C@@H]2C)cccc1C(=O)O 1776087935 GCDRMHDDFYYZOW-JTQLQIEISA-N 274.364 3.917 30 20 CHED C[C@H](CC(=O)O)c1ccc(NCc2ccc(C#N)cc2)cc1 1776402766 FQWNLLVCRRFBOZ-CYBMUJFWSA-N 294.354 3.749 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(/C=C\C(=O)O)cc1 1777476697 WDMWXCJEOCEFML-FFELTBSMSA-N 282.295 3.582 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 161169514 UTWDBRGGBVXWOR-DLBZAZTESA-N 265.356 3.636 30 20 CHED C/C(=C\C(=O)N(C)CCC#N)C12CC3CC(CC(C3)C1)C2 206553980 TWTAMKKVKDEGAU-AWNIVKPZSA-N 286.419 3.521 30 20 CHED C=CC1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1 151141247 SENGGKTXGHQYQI-UHFFFAOYSA-N 296.414 3.536 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Cc1ccc(Cl)cc1 152281124 CBTFYLICSIFZEY-NEPJUHHUSA-N 265.784 3.599 30 20 CHED CC(C)c1ccc([C@H](NC(=O)CC#N)C(C)C)cc1 153522001 UCYGOCRPQKHMRF-MRXNPFEDSA-N 258.365 3.537 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 156057677 JDGXCRMPQVGEOL-UHFFFAOYSA-N 296.370 3.915 30 20 CHED O=C(/C=C/c1ccc(Cl)s1)c1ccc(O)cc1O 156623472 AELUMGJQZMRAIY-GORDUTHDSA-N 280.732 3.709 30 20 CHED CC(C)(C)OC1CC(N[C@H](CCC#N)c2ccccc2)C1 156765046 XQULTLRYTZSESV-OFLPRAFFSA-N 286.419 3.967 30 20 CHED C[C@@H](CC#N)N(C)Cc1ncc(-c2ccccc2)s1 156915497 GERVUCUJOFWUOH-LBPRGKRZSA-N 271.389 3.544 30 20 CHED C=CCN(Cc1c(F)c(F)c(F)c(F)c1F)C(C)C 917071878 ZYNDAFKZXKGFHX-UHFFFAOYSA-N 279.252 3.779 30 20 CHED C=CCN(Cc1cc(Cl)c2c(c1)OCCO2)C(C)C 917071499 STJXUZACWDOKPM-UHFFFAOYSA-N 281.783 3.508 30 20 CHED N#C[C@@H]1CCCN(CC2CCC(C(F)(F)F)CC2)C1 932148140 KYZVSFMHPGHQRW-CPCZMJQVSA-N 274.330 3.591 30 20 CHED N#CCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 167747348 WNMKKDKQJNOGSE-UHFFFAOYSA-N 296.214 3.727 30 20 CHED Cc1ccc(C)c(CNc2ccc(OCC#N)cc2)c1 42314035 AKIAFADXTHAIDF-UHFFFAOYSA-N 266.344 3.818 30 20 CHED N#Cc1ccc(Cl)cc1OCc1cccc([N+](=O)[O-])c1 161650373 QRDULMJEIBVFDI-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc2ccccc2s1 42530514 HATHYDUUDYICIK-UHFFFAOYSA-N 272.373 3.666 30 20 CHED CSc1ccc(CNCCc2cccc(C#N)c2)s1 565686429 ICRLGYAYTSWJDB-UHFFFAOYSA-N 288.441 3.674 30 20 CHED N#Cc1ccc(Oc2nc(C(F)(F)F)cs2)c(F)c1 301738315 CMKCPEZCHUDPKZ-UHFFFAOYSA-N 288.225 3.965 30 20 CHED N#Cc1ccccc1NC(=O)c1csc(Cl)c1 191796539 PPUADJWSCCYMMF-UHFFFAOYSA-N 262.721 3.525 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc2c(c1)CCC2 70498744 UQBJQSWSKFRJME-UHFFFAOYSA-N 262.356 3.968 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)C2(C#N)CCCCC2)s1 78003769 UBHVTHMIRRUVCB-GFCCVEGCSA-N 290.432 3.578 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccsc1 338327025 WYUGFMUMKQUYBV-SNVBAGLBSA-N 260.337 3.610 30 20 CHED C=C(Br)CNC(C)(C)c1ccccc1C 381969700 BNEBSVTVCZBNBV-UHFFFAOYSA-N 268.198 3.728 30 20 CHED C=CC(C)(C)CNCc1csc(C(C)(C)C)n1 385040200 NLUWJLDOIAWKTH-UHFFFAOYSA-N 252.427 3.742 30 20 CHED C#C[C@@H](NCc1csc(-c2ccc(F)cc2)n1)C(C)C 394309424 DBGFANSELOMGTB-OAHLLOKOSA-N 288.391 3.697 30 20 CHED CC(C)COc1cccc(C(=O)Nc2cccc(C#N)c2)c1 7525776 DIBZAVDOPCJKCH-UHFFFAOYSA-N 294.354 3.845 30 20 CHED CCCCCCCCC(=O)Nc1ccc(C(=O)NC)cc1 104984146 OSJRWDASQCECLD-UHFFFAOYSA-N 290.407 3.735 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 56719114 NGBNEFSMZQAOCF-UHFFFAOYSA-N 286.306 3.926 30 20 CHED C=CCCCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 179838279 JKFILNYPYRUJHW-UHFFFAOYSA-N 279.290 3.795 30 20 CHED CC[C@@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OC(C)C 54538618 DXQLPYYPUBKLDY-GFCCVEGCSA-N 289.379 3.608 30 20 CHED C=CCCCOC(=O)Cc1nc(-c2ccsc2)oc1C 117995145 QGYIMBDDAFJKBE-UHFFFAOYSA-N 291.372 3.763 30 20 CHED CC[C@H](CC(=O)Nc1cc(C#N)ccc1C)C(C)C 104340950 KXQCQOWMHHFCBB-CQSZACIVSA-N 258.365 3.878 30 20 CHED N#CCc1cccc(-c2nc(C3CCCCC3)no2)c1 171795482 OQDNIXLAFPWCKL-UHFFFAOYSA-N 267.332 3.850 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccc(F)cc1F 57740705 ZYNMPDFAVAUKFP-UHFFFAOYSA-N 270.348 3.560 30 20 CHED CCN(CC#N)CCCSc1ccccc1Cl 103141683 BSPOVPCRMZCIQQ-UHFFFAOYSA-N 268.813 3.668 30 20 CHED N#Cc1ccc(CCC(=O)N2CCC[C@@H]2C2CCCC2)cc1 56034336 RZIGZNCTDLLGRB-GOSISDBHSA-N 296.414 3.672 30 20 CHED C#CCOc1ccccc1CNCc1cc2ccccc2o1 60977541 YFZGFGBAYVSGIF-UHFFFAOYSA-N 291.350 3.735 30 20 CHED N#C[C@@H](C(=O)/C=C/C1CCCCC1)c1nc2ccccc2[nH]1 118141137 LKQSMIIWKWPOLI-VNDWYCCKSA-N 293.370 3.876 30 20 CHED C=CCC[C@@H](NCCc1ccc(OC)c(F)c1)C1CC1 178688538 OFLUYRBRZVIKQS-MRXNPFEDSA-N 277.383 3.711 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)C1CCCCC1 69615882 JCTVCBJUINTXFZ-UHFFFAOYSA-N 271.364 3.663 30 20 CHED C=CC[C@H](C)NC(=O)N(CC)Cc1ccc(Cl)s1 116974170 ZZFGERCLJGHRHZ-JTQLQIEISA-N 286.828 3.898 30 20 CHED C=CCCC[C@H](C)NC(=O)c1nc(Cl)sc1Cl 847665114 IQPFQIAEJRCJPK-ZETCQYMHSA-N 293.219 3.925 30 20 CHED CCCCNC(=O)CCS[C@H](C)c1ccc(C#N)cc1 118444526 OWBHBPJGZJSMOY-CYBMUJFWSA-N 290.432 3.659 30 20 CHED C=CCCCN(C)C(=O)[C@H](C)c1cc2ccccc2o1 176436908 GOGLPLCGXPMTJC-CYBMUJFWSA-N 271.360 3.961 30 20 CHED C=CCCC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 112251563 OTALXGJVGCCKKV-HNNXBMFYSA-N 293.382 3.702 30 20 CHED C#CCOc1ccc(C(=O)N(C)c2cc(C)cc(C)c2)cc1 303820958 DVUYOTIBSMNKKU-UHFFFAOYSA-N 293.366 3.592 30 20 CHED C=CCN(Cc1ccc(Cl)s1)CC(F)F 171668640 QQWFGAGUNWOONR-UHFFFAOYSA-N 251.729 3.655 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(C)c(Oc2ccncc2)c1 176011305 CMCZMOWTBKFVPK-AWEZNQCLSA-N 296.326 3.641 30 20 CHED N#Cc1ccc(OCCCOc2ccc(F)cc2)cc1F 303395521 YWHRBMAYBMZVQK-UHFFFAOYSA-N 289.281 3.684 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 301098877 XGHUZZXDOWMSOC-LLVKDONJSA-N 262.316 3.608 30 20 CHED N#Cc1csc(C(=O)N(c2ccccn2)C2CCCC2)c1 178488148 CMPDOTGUWBNWPQ-UHFFFAOYSA-N 297.383 3.604 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ccccc1)c1nccs1 1357899363 GZPABKPNNDVCKL-HNNXBMFYSA-N 286.400 3.705 30 20 CHED C=CCCCN(C)C(=O)C[C@H](C)Cc1cccc(F)c1 175044843 FLXUCPBWFWNYDD-CQSZACIVSA-N 277.383 3.819 30 20 CHED N#Cc1cccc(C#N)c1NCCOc1cccc(Cl)c1 302820401 CZBYSUNEMUVWAN-UHFFFAOYSA-N 297.745 3.574 30 20 CHED C=CCOc1ccccc1CNC(=O)c1cccc(C)c1C 303530789 RQCWJYMCPHKXIU-UHFFFAOYSA-N 295.382 3.798 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C)cc1Br 281389493 OCKWJBNJLPFELQ-LLVKDONJSA-N 296.208 3.842 30 20 CHED CCCCCCCC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 123499784 VBALKXOCGFNOMO-HOTGVXAUSA-N 291.439 3.653 30 20 CHED CC[C@@H](C)Oc1cc(CN(CC)CCC#N)ccc1OC 127602140 NLJKHTGOUAKPAW-CQSZACIVSA-N 290.407 3.608 30 20 CHED N#CCCCCSc1nnc(Cc2ccccc2F)o1 122613343 PLGAGTWOCWTZOQ-UHFFFAOYSA-N 291.351 3.585 30 20 CHED C=CCN(CC=C)CCCC(=O)Nc1c(C)cccc1C 122267007 KOEKSMHOLXUVGJ-UHFFFAOYSA-N 286.419 3.696 30 20 CHED C=CCN(C(=O)CSCCC(C)C)c1ccccc1 303013582 PILHGMFSKOBTCY-UHFFFAOYSA-N 277.433 3.985 30 20 CHED Cc1ccc(CNc2c(C#N)cccc2C#N)c(C)c1 302849611 PGZJZCYLRYZTIU-UHFFFAOYSA-N 261.328 3.659 30 20 CHED Cc1c(C(=O)N(CC#N)C2CCCC2)oc2ccccc12 125308945 QAPXMXPWPLPACG-UHFFFAOYSA-N 282.343 3.650 30 20 CHED Cc1ccc(Oc2ncc([N+](=O)[O-])cc2C#N)c(Cl)c1 77231474 NNPIPSQEOJTOJC-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)OCC2(C#N)CCC2)cc1 183831969 CJRSHFVXKNYHHD-CYBMUJFWSA-N 287.359 3.715 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cccc(C(=O)O)c1 126307649 HPWWPPUDOCEYPC-MDZDMXLPSA-N 266.296 3.589 30 20 CHED COc1ccc(C#N)cc1NC/C=C\c1ccc(F)cc1 501006723 VMLBMNQEPBQDRE-IHWYPQMZSA-N 282.318 3.831 30 20 CHED C=C(C)CCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 509656073 FZBTZARSLHWSDK-OAHLLOKOSA-N 283.774 3.819 30 20 CHED C[C@@H](CCc1ccco1)Nc1c(C#N)nnc2ccccc12 316084408 QSXRNBVNYIPDQL-LBPRGKRZSA-N 292.342 3.528 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C)CSC)c1ccccc1 188132086 AQLOAPUSPYWXGR-ZFWWWQNUSA-N 277.433 3.604 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1F)c1ccc(OC)cc1 120228236 UEMOAPYKWTZUSF-GOSISDBHSA-N 298.361 3.947 30 20 CHED CCCc1nnc(S[C@@H](C#N)C2CCCCC2)o1 121889114 FFKMPQOQIWCQHA-NSHDSACASA-N 265.382 3.587 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(OC)ccc2OC)cc1 34706756 SVNGLYGVFCJUPR-POHAHGRESA-N 298.338 3.609 30 20 CHED Cc1ccc(C)c(N2CCN(CC(C)(C)CCC#N)CC2)c1 128529650 LAYYFOKDNADNNL-UHFFFAOYSA-N 299.462 3.755 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)cc2)cc(OC)c1 211360767 YMWZJKIHFKLKKB-TWGQIWQCSA-N 282.339 3.908 30 20 CHED CCCCCCCCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 128993920 LHXOWDMBQKFTFG-IMJJTQAJSA-N 281.440 3.667 30 20 CHED C=C(Cl)CN[C@@H](C)c1cccc(Br)c1 38012467 HSEPXASNUPRVCQ-VIFPVBQESA-N 274.589 3.852 30 20 CHED CCc1cc(CC)nc(N[C@@H](C)c2ccc(C#N)cc2)n1 315654243 XUYKUJKRMNWGOM-LBPRGKRZSA-N 280.375 3.646 30 20 CHED C[C@H](CC(F)F)C(=O)Nc1ccc(CC#N)cc1Cl 413833437 IWJCJLJYJOFCGZ-MRVPVSSYSA-N 286.709 3.636 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)cc1C 187754656 KWPCWJIRRNITEA-HNNXBMFYSA-N 281.783 3.816 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc2ccccc2c1 503650166 QMVOWVABTXAGNR-SFHVURJKSA-N 280.371 3.898 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412141975 APRUCPSAOAATBH-MGBSGCIJSA-N 284.403 3.603 30 20 CHED C=CCOCCSCc1cnc2ccccc2c1 419524283 WXTYEAIOLAYJPG-UHFFFAOYSA-N 259.374 3.671 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc(F)c(C)c2)n1 342174374 GEZBGQDNLOULFA-UHFFFAOYSA-N 269.323 3.630 30 20 CHED N#C[C@H](NC(=O)C1=CCCCCC1)c1ccccc1Cl 186031177 QPLFPHFKFLMHSF-HNNXBMFYSA-N 288.778 3.911 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1nccn1CC 414299298 KNCYENIHJLDKIN-WBVHZDCISA-N 283.419 3.741 30 20 CHED CC(C)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)N1CCCCCC1 185773000 AGIDPVADCXWMJE-KSZLIROESA-N 291.483 3.559 30 20 CHED Cc1ccc(CC(=O)N(C)c2ccccc2C#N)c(Cl)c1 508093514 IOUAFFJYVKGJFG-UHFFFAOYSA-N 298.773 3.726 30 20 CHED CC(/C=C/c1nc(C(=O)O)ccc1C#N)=C\c1ccccc1 508603447 JDHLIAMVICUVEH-PTSVWTKZSA-N 290.322 3.768 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc3c(c2)CCCC3)n1 41518736 VESYOOIJKKKGPF-HNNXBMFYSA-N 296.395 3.820 30 20 CHED O/C(=N/[C@H]1CCCc2occc21)N1Cc2ccccc2CO1 329228865 CDPKEXFTJWJDHZ-HNNXBMFYSA-N 298.342 3.518 30 20 CHED N#Cc1c(F)cccc1OCc1nc(Cl)ccc1Cl 61639851 QITMNWZTGPNPFP-UHFFFAOYSA-N 297.116 3.978 30 20 CHED Cc1ccc2[nH]c3ccn(CCC(C)(C)C#N)c(=O)c3c2c1 419035509 ACXVIAOTCCRKNG-UHFFFAOYSA-N 293.370 3.731 30 20 CHED Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)c(C)s1 609191558 HKCSKFORVOKWFQ-UHFFFAOYSA-N 278.421 3.767 30 20 CHED N#Cc1nnc2ccccc2c1NCCC1=CCCCC1 85920124 IFBFWLFQISGGLX-UHFFFAOYSA-N 278.359 3.804 30 20 CHED CC1(/N=C(/O)c2cccc(/C(O)=N/C3CC3)c2)CCCC1 329942784 VUNBLFHBUJVUTA-UHFFFAOYSA-N 286.375 3.791 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(-c2cccs2)ns1 191228855 XEUYAEYAUWZTRO-ZDUSSCGKSA-N 293.417 3.807 30 20 CHED CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 47652148 KBHXZOYYDIHSHG-UHFFFAOYSA-N 296.395 3.552 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)c(OC)c1 194905181 PAZYPSSNWAFMII-HNNXBMFYSA-N 297.782 3.516 30 20 CHED CC(C)(C#N)CCC[S@@](=O)c1ccc(Cl)cc1 87611167 PYAZSVZNZMRXEJ-KRWDZBQOSA-N 269.797 3.778 30 20 CHED CCCCCCCS(=O)(=O)N(C)[C@@H](C)c1ccco1 195186242 LWBLWDCRFQDZFQ-ZDUSSCGKSA-N 287.425 3.573 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2ccccc2n1 528015333 WEOAOFXVYXXPGC-UHFFFAOYSA-N 267.332 3.503 30 20 CHED C=CCC[C@@H](NC1CCN(CC(C)C)CC1)c1ccco1 513703568 XLFUGJOOLGZHFV-QGZVFWFLSA-N 290.451 3.997 30 20 CHED C=C(C)CNC(=O)c1ccccc1Nc1ccccc1 428108324 TWOYRKPVIFUQSA-UHFFFAOYSA-N 266.344 3.736 30 20 CHED C#CCCCC(=O)Nc1ccccc1N(C)C1CCCC1 190393278 RJDCADMPRUIFTR-UHFFFAOYSA-N 284.403 3.807 30 20 CHED C[C@H](Cc1cccs1)N(C)CCCC(C)(C)C#N 80834770 YIWPYQLHBMUEQR-CYBMUJFWSA-N 264.438 3.941 30 20 CHED Cc1ccccc1CCCSc1nnc(C)c(C)c1C#N 511886488 IXLUXYORVPQQNM-UHFFFAOYSA-N 297.427 3.998 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC=C(C(C)(C)C)CC1 513146804 FXJYURXSTSVGIE-UHFFFAOYSA-N 291.439 3.704 30 20 CHED N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)c(Cl)c1 40422951 ZIUQWAVSZWXZKW-UHFFFAOYSA-N 299.673 3.784 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccs1 510791867 OUIMOKLQRIGEPU-UHFFFAOYSA-N 257.402 3.979 30 20 CHED C=CCc1cccc(F)c1OCC1CC(OCC)C1 424104376 TTXNWTXFOCSCSO-UHFFFAOYSA-N 264.340 3.748 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 335227131 AIWDGJWWLQGDIX-UHFFFAOYSA-N 286.375 3.502 30 20 CHED CCN(CC)c1ccc(/C=N/C2CCSCC2)c(O)c1 194640363 BVTKEPTWESGARW-SFQUDFHCSA-N 292.448 3.553 30 20 CHED Cc1cc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n[nH]1 334477396 OZHIARHVTDOZPI-AWEZNQCLSA-N 294.402 3.530 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc2nc(C(F)F)sc2c1 336324697 WQRPTMQLSRTTCV-UHFFFAOYSA-N 295.314 3.722 30 20 CHED C=CCCC(=O)Nc1ncc(-c2ccc(F)cc2)s1 191726616 IUCNOVFOVSBIOB-UHFFFAOYSA-N 276.336 3.854 30 20 CHED N#Cc1cc(N[C@H]2CCO[C@@H]2C2CC2)ccc1C(F)(F)F 231718713 JLNXPNXWOXJRPC-UONOGXRCSA-N 296.292 3.556 30 20 CHED Cc1cnc([C@H](C)NC2CCC(C)(C#N)CC2)s1 334760160 CAWKZOVLSJNFAK-DCBWTQNWSA-N 263.410 3.575 30 20 CHED CC(C)[C@@H]1CCCCN1CCCC1(C#N)CCOCC1 337188307 QGLBNWHAHHOMNC-INIZCTEOSA-N 278.440 3.597 30 20 CHED N#Cc1ccccc1C[S@@](=O)Cc1ccccc1C1CC1 339153043 UGNULEJECVRCLK-OAQYLSRUSA-N 295.407 3.885 30 20 CHED C=CCN(CC=C)C(=O)CCC(=O)c1ccc(CCC)cc1 515334376 YOQYHYOQMZYQBB-UHFFFAOYSA-N 299.414 3.803 30 20 CHED C[C@H](C(=O)N1CC[C@@H]1c1ccccc1)c1cccc(C#N)c1 336524642 WVOIDLNPQYYPRB-KBXCAEBGSA-N 290.366 3.635 30 20 CHED CC[C@@H](NCCCC1(C#N)CCOCC1)C(C)(C)C 337179964 LPMRVKGDRRMZMW-CQSZACIVSA-N 266.429 3.501 30 20 CHED Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)o1 335195960 VLGZLGKVTCQRKW-KRWDZBQOSA-N 266.344 3.627 30 20 CHED CCC[C@H](C)N(C)C(O)=Nc1cnn([C@@H](C)CC)c1C 331141992 RHLPFEQZLUMLAX-RYUDHWBXSA-N 280.416 3.828 30 20 CHED C[C@H]1CCCC[C@@H]1NCCSCc1ccccc1C#N 512058227 NZMVMDWRKUASBH-YOEHRIQHSA-N 288.460 3.960 30 20 CHED C=CCCCC(=O)N(C)Cc1cccc(Br)c1 267146471 YVVREPGJFLWAFQ-UHFFFAOYSA-N 296.208 3.764 30 20 CHED Cc1c(C#N)cccc1NCc1noc(-c2cccs2)n1 431341129 GPOUCTNACPHPRR-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)Cc1ccc(C)cc1 436312114 JQTHOUAJYAQXMI-FHWLQOOXSA-N 287.447 3.887 30 20 CHED C/C(Cl)=C/CN(Cc1ccc(C#N)cc1)C1CC1 528360643 PMHFUOIJWKSSAA-WQLSENKSSA-N 260.768 3.665 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1C1CC1 433007509 ACJCFXIPEMUXQS-MSOLQXFVSA-N 296.414 3.589 30 20 CHED C=CCCN(C)C(=O)Nc1ccnc(-c2ccccc2)c1 341616885 BWTZYFFZHSATJL-UHFFFAOYSA-N 281.359 3.788 30 20 CHED CCCCCCCCC(=O)Nc1ccc2oc(=O)[nH]c2c1 248290040 RZBONWJYZMXJRM-UHFFFAOYSA-N 290.363 3.810 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](Oc1ccccc1)c1ccccc1 522645143 BPCDHXVESNHYAX-MAUKXSAKSA-N 295.382 3.888 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(CC#N)cc1 343535924 KAZUFSUDDNLOPF-UHFFFAOYSA-N 283.419 3.905 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 523963102 XLZFLNKSFNZCCJ-GJZGRUSLSA-N 289.419 3.967 30 20 CHED N#Cc1nn(CCCOCc2ccccc2)c2ccccc12 432497100 NMCCXFVAAWZQSF-UHFFFAOYSA-N 291.354 3.515 30 20 CHED CCC(CC)CN[C@H]1CCCc2cc(C#N)ccc21 341696770 FKLXGFFXTOUSAJ-KRWDZBQOSA-N 256.393 3.961 30 20 CHED N#CCCN(Cc1c(F)ccc(F)c1Cl)CC1CC1 529527400 BVXLGROWFRVPLK-UHFFFAOYSA-N 284.737 3.744 30 20 CHED N#CC1(N(C(=O)c2sccc2C2CC2)C2CC2)CCC1 341584850 LXWRVXPSRSEUCC-UHFFFAOYSA-N 286.400 3.676 30 20 CHED C=C(C)CCc1noc([C@@H]2Cc3c(Cl)cccc32)n1 528193516 REWDOQMOJXFHGK-GFCCVEGCSA-N 274.751 3.920 30 20 CHED C=CCC[C@H](NCc1ccc(OC)c(OCC)c1)C1CC1 438997914 SBQZRMPZVLPLCC-INIZCTEOSA-N 289.419 3.928 30 20 CHED CCC(CC)[C@@H](CCNc1nc(C)ccc1C#N)OC 346855447 VFYOHPLJSVPGFI-OAHLLOKOSA-N 275.396 3.515 30 20 CHED C=CCC[C@@H](O)CN[C@H](CC(C)C)c1ccccc1OC 342334827 LNAOOVQBCOHCPM-NVXWUHKLSA-N 291.435 3.699 30 20 CHED N#Cc1ccc(SCc2csc(-c3ccoc3)n2)nc1 341751368 YMMFHSUDZMKSOO-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C[C@@H]1CC[C@H](c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)O1 528235206 IPZFVITXYAEHND-BXUZGUMPSA-N 295.342 3.532 30 20 CHED C=CCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 343940716 NTQPEVFTUZEFRM-ZDUSSCGKSA-N 254.333 3.711 30 20 CHED N#Cc1cc(Cl)ccc1Cn1ccc(-c2ccccn2)n1 348080894 UPIUBVHOVLXHHT-UHFFFAOYSA-N 294.745 3.518 30 20 CHED CCN(CC)c1ccc(C=NNc2ccccc2)cc1 254591158 JXUJNOLMXZGGRG-UHFFFAOYSA-N 267.376 3.979 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)CCCOC)CCCC1(C)C 347441881 LTXWDHLMQXOCBZ-GJZGRUSLSA-N 281.440 3.642 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)[C@H]1C[C@H]2CC[C@H]1C2 449063439 MRXWDCGQOJXAFF-CARUKKDSSA-N 260.425 3.873 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1c[nH]c2ccccc12 255047265 JCPCUCAUKUVQSK-KTKRTIGZSA-N 272.307 3.936 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@H](CC(F)(F)F)C1 529499651 PKJCDIUAFIELDY-LLVKDONJSA-N 290.329 3.507 30 20 CHED C=CCCCCN[C@H]1Cc2[nH]c3ccccc3c2C1 442836785 IMSKONYVZPOKCY-CYBMUJFWSA-N 254.377 3.581 30 20 CHED C[C@@H](C#N)CNCc1ccc(OCc2ccccc2)cc1 54178998 WMGIHQWSSCFWQU-HNNXBMFYSA-N 280.371 3.515 30 20 CHED N#C[C@H](S[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 601083890 QHWHTUSUPBWZOH-SJORKVTESA-N 286.444 3.686 30 20 CHED CCN(CCC#N)C(=O)c1cscc1-c1ccccc1 354916814 JREKOFPMNPSKIR-UHFFFAOYSA-N 284.384 3.791 30 20 CHED N#CC1(COc2cc(Cl)ccc2Br)CC1 530126448 SDBFMXYXWKYAPS-UHFFFAOYSA-N 286.556 3.785 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc2[nH]ccc2c1 606815000 KBWQTFFIJSBYIG-UHFFFAOYSA-N 270.376 3.986 30 20 CHED N#Cc1cccc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1 602644233 LFNGZXZCADAWKM-GDBMZVCRSA-N 295.361 3.518 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@H](C)CC(C)C 355655342 QRNDVNSGIWFSRK-GFCCVEGCSA-N 273.380 3.611 30 20 CHED Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)C#N 609927940 SCPGHRMXNAEENW-DZGCQCFKSA-N 298.411 3.616 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccccc2N2C[C@H]3CC[C@H]2C3)C1 442859699 QTVASCGRRBTFDD-UGUYLWEFSA-N 281.403 3.779 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc2[nH]ccc2cc1C)OCC 444449006 LNAQIDYHDFAVNO-INIZCTEOSA-N 286.375 3.786 30 20 CHED CC(C)(C)OCc1cccc(CNc2cccc(C#N)n2)c1 265513921 KUWWCIXNEHLXPK-UHFFFAOYSA-N 295.386 3.880 30 20 CHED COCC[C@@H](C)O/N=C(\C)c1cc2ccccc2o1 267995425 KUGXYFWQYJEMLW-VFJWTBQQSA-N 261.321 3.598 30 20 CHED C=CCn1c(C2CC2)nnc1N(CC)Cc1ccccc1C 351076196 RVCXMIAFBUYAAG-UHFFFAOYSA-N 296.418 3.676 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CN(C)Cc2ccccc21 537947091 HUBANODCROIMPD-DOTOQJQBSA-N 258.409 3.508 30 20 CHED CC(C)(C#N)CNCc1cc(Cl)ccc1OCC1CC1 619535432 AWSUSHIWIDGFPB-UHFFFAOYSA-N 292.810 3.768 30 20 CHED C=C(C)CN(CC)C(=O)NCCCCc1ccccc1 612264865 CRNVWPKMMHABPU-UHFFFAOYSA-N 274.408 3.617 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccccc2OCC(F)(F)F)C1 442869097 AMDMYVOADFUSPG-WDEREUQCSA-N 284.281 3.732 30 20 CHED C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(CC(C)(C)CCC#N)C1 352296500 FEQIWWMSYRVKFV-BRWVUGGUSA-N 291.483 3.654 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](c1ccncc1)C(C)C 352535838 WAAYXNXYBZTBBO-OAHLLOKOSA-N 274.408 3.540 30 20 CHED C=CCC[C@@H](NC(=O)Cc1cnccc1C)c1ccccc1 612709624 ZYKPCLXJYBRNDK-GOSISDBHSA-N 294.398 3.756 30 20 CHED CC(C)(CCC#N)CNC(=O)c1sccc1C1CC1 359753821 BDVRUIKRXSRXRN-UHFFFAOYSA-N 276.405 3.685 30 20 CHED C=C(CC)CSCC(=O)N(C(C)C)C1CCCC1 536881448 KVSYUGGKNWJOJP-UHFFFAOYSA-N 269.454 3.865 30 20 CHED C#C[C@H](NC(=O)CCSc1ccc(C)c(C)c1)C(C)C 700610034 CZHVUMIYMSBXBL-INIZCTEOSA-N 289.444 3.560 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1cccc(C)c1)C(C)(C)C 539339922 PTHNTUZDGKAIFC-SJORKVTESA-N 275.436 3.999 30 20 CHED C=CCCC[C@H](C)NC(=O)N(Cc1cccnc1)C(C)C 539473074 MQXVEHQLQGZMJW-HNNXBMFYSA-N 289.423 3.746 30 20 CHED C=CCOCCCSCc1cccc(COC)c1 359116300 HJISMZJUOYUIIV-UHFFFAOYSA-N 266.406 3.659 30 20 CHED CCC[C@@](C)(CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 619438117 PQTPESKAASQHCT-SUMWQHHRSA-N 272.392 3.952 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cc(C)ccc1F 450425130 MHMAWJRZSZUIGD-CYBMUJFWSA-N 263.356 3.538 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)C(C)C)cc1 265015812 MXXHYPNUIWWDEF-AWEZNQCLSA-N 288.391 3.624 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 459282488 BMEQDZPQPUJKGR-ILXRZTDVSA-N 264.413 3.563 30 20 CHED C=CCCNC(=O)CCCCCc1cccs1 617615259 FCDGOEVNIGKYAO-UHFFFAOYSA-N 251.395 3.543 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCOC2(CCCCC2)C1 369746160 TWTNENNUCFUCOD-CABCVRRESA-N 294.439 3.522 30 20 CHED Cc1cc(C)c(NC(=O)CCCC#N)cc1Br 360726026 ARDLQLSZCFROHM-UHFFFAOYSA-N 295.180 3.698 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H](C[C@H]2CCOC2)C1 614407140 GOYYZZGPJZCHCY-QZTJIDSGSA-N 298.430 3.505 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@](C)(C#N)C1 612167957 ZRODIGNZJMXFSH-XHDPSFHLSA-N 264.319 3.651 30 20 CHED CC[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C1CCCC1 456663996 QIYLHLIGFVXCAI-GUYCJALGSA-N 284.403 3.747 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(CC#N)cc1 454344283 NJYQAATUILJEIO-GJZGRUSLSA-N 285.391 3.700 30 20 CHED C=CCC1(CNC(=O)c2c(F)cc(F)cc2F)CCCC1 456485129 KLDAIRYDCDKNEW-UHFFFAOYSA-N 297.320 3.970 30 20 CHED CC(C)(C)C1CCC(CC(=O)N=c2cc[nH]cc2C#N)CC1 360993528 YNSKERDFXLCGMR-UHFFFAOYSA-N 299.418 3.556 30 20 CHED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]2CCCC[C@@H]21 459872066 GOQGBJOFZDVILC-QZWWFDLISA-N 291.435 3.539 30 20 CHED Cc1nc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c(C)s1 618801468 BAYVXSPVMMPSQJ-QLJPJBMISA-N 297.427 3.970 30 20 CHED C=CCC1(C(=O)N[C@@H](C(C)C)[C@H](CO)C(C)C)CCCC1 452908021 DCQNFIIQWGSZPS-CVEARBPZSA-N 295.467 3.528 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1OC(C)C 454462864 ITDIIOPDLFXBEO-UHFFFAOYSA-N 276.380 3.808 30 20 CHED CCc1cc(C)nc(Oc2cc(Cl)ccc2C#N)n1 613282085 FNJWPXZAESJNSM-UHFFFAOYSA-N 273.723 3.665 30 20 CHED N#Cc1ccc(N2CCC3(CC2)OCc2ccccc23)cc1 362258510 UCTQEDCRXZONKM-UHFFFAOYSA-N 290.366 3.584 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)C(=O)CC(C)(C)C#N 278275154 PLXUXWSVEBIRCL-UHFFFAOYSA-N 298.308 3.604 30 20 CHED CC(C)n1ncc2c1[C@H](Nc1cccc(F)c1C#N)CCC2 368845955 VFXFFQNWASFIAD-MRXNPFEDSA-N 298.365 3.964 30 20 CHED Cc1ccc(OC2CCN(CCC(C)(C)C#N)CC2)cc1 271989169 DLGPSSIKLUZAQL-UHFFFAOYSA-N 286.419 3.778 30 20 CHED C=CCC[C@H](NCC[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 549237653 WIBVYNIOZLCGOH-IVSAIRAKSA-N 265.441 3.915 30 20 CHED CC(C)(CC#N)CNC(=O)Cc1ccc(C(C)(C)C)cc1 457992918 LSKJYYOZMNAEOF-UHFFFAOYSA-N 286.419 3.583 30 20 CHED C=CCN(C(=O)[C@H](C)c1cccc(OC)c1)C(C)(C)C 622943461 CJWBORNPSFZQIU-CYBMUJFWSA-N 275.392 3.612 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(C)c(Cl)c1Cl 450624436 OVEJCHULEGASFQ-VIFPVBQESA-N 285.174 3.724 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)Cc2cccs2)c1 456006824 QMCYELZXFGJLSQ-GFCCVEGCSA-N 299.399 3.681 30 20 CHED C=CC(C)(C)c1nc(Cc2cccc(Cl)c2F)no1 453062368 FTUYOPQGMPQPEU-UHFFFAOYSA-N 280.730 3.917 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1ccc(C#N)s1 271049199 UABYRXQFLTTXDA-SNVBAGLBSA-N 274.414 3.801 30 20 CHED C=CC(C)(C)C(=O)Nc1cnn([C@H](C)CC)c1C1CC1 450490329 SMPIELRMXRCQTL-LLVKDONJSA-N 275.396 3.882 30 20 CHED C[C@@H]1CC(CCNc2cccc(F)c2C#N)C[C@@H](C)O1 549259650 JGFSDDGIADEHOH-VXGBXAGGSA-N 276.355 3.703 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1SC)OCC 270012834 GBIDHLOHPBHFBM-ZDUSSCGKSA-N 279.405 3.718 30 20 CHED C=CCC[C@H](Nc1cccc(OCCN(C)C)c1)C1CC1 540840724 NEQUZPSLGTYUAH-SFHVURJKSA-N 288.435 3.784 30 20 CHED CCc1cccc(CC)c1NC(=O)N1CCC(CC#N)CC1 542902443 PULMYJHQYGTGDL-UHFFFAOYSA-N 299.418 3.969 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cscn1 271567292 XZXWLRJLFIYXNB-GXTWGEPZSA-N 271.389 3.839 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 466432747 YZKLODVHABBTBT-WMZOPIPTSA-N 284.403 3.983 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)N[C@H](C)c1ccc(C#N)cc1 465655622 INPPIWCQVWNPCR-QLFBSQMISA-N 299.418 3.839 30 20 CHED C=C[C@@H](CO)N[C@H]1CCCc2cc(SC(F)F)ccc21 289866340 RFWSQKOYCUPHBM-FZMZJTMJSA-N 299.386 3.515 30 20 CHED C=CCCCC(=O)N[C@@H](COC)c1cccc(Cl)c1 289902356 XRCANIROILQHKB-AWEZNQCLSA-N 281.783 3.500 30 20 CHED CC[C@@](C)(C#N)C(=O)NC[C@H](Cc1ccccc1)C(C)C 557011437 ALDFSWIAZQCHJN-WMZOPIPTSA-N 286.419 3.557 30 20 CHED CC(F)(F)c1ccc(-c2noc(CSCC#N)n2)cc1 289622417 BNKIWNWFRIGHKP-UHFFFAOYSA-N 295.314 3.605 30 20 CHED C=CCN(Cc1ccc(F)cn1)CC1CCCCC1 469587416 SDYOYYSTTHXQTB-UHFFFAOYSA-N 262.372 3.789 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 466980289 FLJWUPRURQVQLX-OAHLLOKOSA-N 288.435 3.960 30 20 CHED N#Cc1cc(CN2CC[C@@H](c3cccc(F)c3)C2)ccc1F 468268971 USXDFCOVKMRYCO-OAHLLOKOSA-N 298.336 3.826 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1cc(C#N)oc1C)C1CC1 280739224 WQZWJJYWIZZQJJ-KRWDZBQOSA-N 294.354 3.649 30 20 CHED CC(C)c1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cn1 550350831 FGZUHHNFDKDLGV-SFHVURJKSA-N 299.418 3.797 30 20 CHED C=C(C)CSCC(=O)N[C@H](C)c1ccc(CC)cc1 477013053 VXAXDUJQBTXIDW-CYBMUJFWSA-N 277.433 3.736 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(OC)cc2)n1 551136993 UHBXNJNKKYXKJF-UHFFFAOYSA-N 258.321 3.599 30 20 CHED C=CCC1(C(=O)NCCOc2cc(C)cc(C)c2)CCC1 479652941 OUUPGIBGIQGSHW-UHFFFAOYSA-N 287.403 3.545 30 20 CHED C=CCCCCNc1ccc([N+](=O)[O-])cc1C(C)=O 804621005 DFMQPWKEUYPVJM-UHFFFAOYSA-N 262.309 3.566 30 20 CHED C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)c2ccccc2O1 294994651 HYSHUCMXBMANRL-CXAGYDPISA-N 278.355 3.560 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@@H](C)C1 472176250 ONQHWWAWUZYAAB-NVXWUHKLSA-N 286.419 3.963 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 472838013 YFXIPBKZDPATBB-GOEBONIOSA-N 272.392 3.745 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 298040923 OWRQUPVXLJHZBJ-INIZCTEOSA-N 299.418 3.668 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(-c2ccccc2)c(C)c1 806420694 QPKSMRMLAMKOPR-AWEZNQCLSA-N 278.355 3.805 30 20 CHED C[C@H](C#N)OCCN(c1ccccc1F)C1CCCC1 801934154 ZXIJGFSHELVTOP-CYBMUJFWSA-N 276.355 3.503 30 20 CHED C#CCCc1noc(-c2csc3cc(C)ccc23)n1 809397078 VDWWSXXSPPRBMK-UHFFFAOYSA-N 268.341 3.826 30 20 CHED CCN(C(=O)[C@H](C)C(C)(F)F)[C@@H](C)c1ccc(C#N)cc1 294726241 VXZQXDURUPAKBP-RYUDHWBXSA-N 294.345 3.759 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 296536647 SAJHBPIWSWXETD-HOCLYGCPSA-N 297.402 3.909 30 20 CHED CCOc1ccccc1[C@H](CC)NCc1ccc(C#N)cn1 567176793 PQEQGJWVPVBEJS-KRWDZBQOSA-N 295.386 3.593 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1ccc(F)cc1Cl 565515218 BKIJLQSVTPQCAC-SFHVURJKSA-N 287.787 3.668 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H]2CC[C@H](C)C2)o1 800811417 UJVYUNOBZABTTL-QWRGUYRKSA-N 260.341 3.504 30 20 CHED CC#CC(=O)Nc1ccc(CCCc2ccccc2)cc1 801146059 BBGCFXXIEVTBJT-UHFFFAOYSA-N 277.367 3.824 30 20 CHED C=CCN(Cc1ccc2c(c1)ncn2C)c1ccccc1 475116644 FTMIZMRQHGLFSZ-UHFFFAOYSA-N 277.371 3.766 30 20 CHED CC(C)CCc1nc(CSCCO[C@@H](C)C#N)cs1 802749510 FRTFYFBGBFRWEQ-LBPRGKRZSA-N 298.477 3.894 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2sccc2C1 645343090 DBWBGCMGCJHLDD-UHFFFAOYSA-N 263.406 3.625 30 20 CHED CC1(C)CN(C(=O)Nc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 297601382 ZGPRRPPEMMAWQO-HUUCEWRRSA-N 283.375 3.601 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(CC#N)c1 567081684 WNXYNKREHBZJIZ-DZGCQCFKSA-N 270.376 3.908 30 20 CHED CC(=NNCC1CCCC1)c1nc2c(s1)CCCC2 808006706 YNAMBYSLRJYDPI-UHFFFAOYSA-N 277.437 3.526 30 20 CHED CC#CC(=O)Nc1cccc(OCc2ccc(C)cc2)c1 801155182 FFANGKMNPXTJNS-UHFFFAOYSA-N 279.339 3.536 30 20 CHED N#C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 568269818 YYVKTVABKUKTPI-CQSZACIVSA-N 296.399 3.847 30 20 CHED C#C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)C(C)(C)C 808316083 PNPUYAKWVJKGOJ-CVEARBPZSA-N 298.430 3.827 30 20 CHED C=CCC1(C(=O)N2CCOc3ccccc3C2)CCCCC1 648168202 HXGIGWAGEDKEOE-UHFFFAOYSA-N 299.414 3.934 30 20 CHED C=CCC(C)(C)CNCc1cn(C)nc1-c1ccccc1 566369206 MXKGNZUTJGBAIK-UHFFFAOYSA-N 283.419 3.779 30 20 CHED CC(C)[C@H]1CC(=NNc2cc(C#N)cc(Cl)n2)CS1 814891963 YUPQGOHLDUXMAN-LLVKDONJSA-N 294.811 3.536 30 20 CHED CC(=NN[C@H](C)c1ccccc1)[C@@H](C)CCCCC(=O)O 814815177 PFVUTHYTVJXFET-DZGCQCFKSA-N 290.407 3.994 30 20 CHED C=CCC(F)(F)C(=O)Nc1ncc(-c2ccccc2)s1 815057049 MGZTZADKJQMYRS-UHFFFAOYSA-N 294.326 3.960 30 20 CHED C=CCCCC(=O)N1CCCc2c(C)cc(C)cc21 480877928 LJBDDDVPQMPWLQ-UHFFFAOYSA-N 257.377 3.939 30 20 CHED CO[C@@](C)(C=NNc1ccc(Cl)cc1)C1CC1 814683685 LQLQYKXJNLEXTJ-ZDUSSCGKSA-N 252.745 3.553 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H]1c2ccccc2CC[C@H]1C(C)C 812198373 YDWYKERKGCZUFV-QILLFSRXSA-N 298.430 3.609 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(C#N)o1 814103849 WPXNYADFKVDFMW-UHFFFAOYSA-N 282.343 3.512 30 20 CHED C=C1CCN(C(=O)c2cc(Cl)ccc2OCCC)CC1 487340279 VRXBGEHAWWOMQY-UHFFFAOYSA-N 293.794 3.921 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NOCCOC(C)C)C1 812237939 PDCAJRMHCCZFQF-HNNXBMFYSA-N 290.407 3.845 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)NC1(C#N)CCSCC1 576875715 HZWKLGQFWGIBMK-AWEZNQCLSA-N 294.464 3.665 30 20 CHED C=C(C)CN(C)C(=O)NCC(C)(C)c1ccc(CC)cc1 487932014 GFIRYCRIFIPTRQ-UHFFFAOYSA-N 288.435 3.744 30 20 CHED C(=NNc1nncc2ccccc12)c1cc2ccccc2o1 812381873 DIQDMDANNSAFFA-UHFFFAOYSA-N 288.310 3.822 30 20 CHED COc1ccc([C@H](C)C(C)=NOCC2CC2)cc1OC 814244417 SGTSJEKBRJOMJB-LLVKDONJSA-N 277.364 3.610 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](C)c1ccc(OC)cc1 488393322 FXEUKJZQJONTKV-AWEZNQCLSA-N 298.386 3.516 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCc1nn(C)c2ccccc12 657981485 IOGHIYZKGDSZBP-WBVHZDCISA-N 297.446 3.840 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC=CCC1 482748921 IRONEPVJYGGGSP-MRXNPFEDSA-N 261.409 3.938 30 20 CHED C=CCCCCCCCNC(=O)[C@@](C)(C#N)CC 811590793 LJDDGUJTGVMYLW-OAHLLOKOSA-N 250.386 3.569 30 20 CHED CCCCCC(C)=NNS(=O)(=O)c1cc(C)ccc1C 818208652 LLDMVADPBINPSR-UHFFFAOYSA-N 296.436 3.538 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(N2CCCOC2=O)cc1 814659941 XXMHUZWVRMHQRJ-CQSZACIVSA-N 288.391 3.650 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(Cl)c(F)cc1N 815258567 LUPVUZUXCCPVGT-UHFFFAOYSA-N 298.745 3.548 30 20 CHED C=CCCCCCS[C@@H](C)C(=O)N[C@H](C)CC 485557075 CDPCFPLEMIAFIL-OLZOCXBDSA-N 257.443 3.769 30 20 CHED Cc1sccc1C=NNc1ccc(Cl)nc1 814859254 QPEKKKOQLHHRHQ-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)c1ccccc1F 488874241 DGNYPECUOMKFJW-KGLIPLIRSA-N 275.367 3.886 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(F)c(F)c2)ccc1O 728230702 FUIMNHNWHDATMB-UTCJRWHESA-N 274.266 3.875 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC1(CC)CCOCC1 657898599 FJXZMVMFJUMRCX-HZPDHXFCSA-N 265.441 3.918 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(C2CCCC2)cc1 575356622 MTWFFMZYQGHKMG-CQSZACIVSA-N 256.393 3.936 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(CC#N)cc2)c1 726448756 TUOXURSGEINVNT-UHFFFAOYSA-N 291.379 3.543 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H]1CCC[C@@H](C)C1 497407171 KGLMJBXXJBRPTR-CABCVRRESA-N 290.407 3.598 30 20 CHED C=CCN(CCc1ccco1)C(=O)NC1CCCCCC1 498118188 SKUXCKHQSDSEKM-UHFFFAOYSA-N 290.407 3.743 30 20 CHED CC(C)(C/N=C\c1cccc(O)c1O)c1ccc(F)cc1 728437419 CDCBVCJKZWREBH-GRSHGNNSSA-N 287.334 3.634 30 20 CHED CC1(C)Cc2cc(C=Nn3cnc4ccccc43)ccc2O1 729143840 SVAPDJSEXRNAFZ-UHFFFAOYSA-N 291.354 3.632 30 20 CHED Cc1ccccc1C=NNc1cccc2cnccc12 728431751 BPYOHFNNXIHXSJ-UHFFFAOYSA-N 261.328 3.989 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCCOc3ccccc32)c1 728426904 DQFITXANLNNSLY-UHFFFAOYSA-N 297.314 3.584 30 20 CHED C/C=C\C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 728005434 KRWFWGNAWVIIQB-RQOWECAXSA-N 292.338 3.652 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCC[C@H](C)C1 497407174 KGLMJBXXJBRPTR-LSDHHAIUSA-N 290.407 3.598 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(SCC)cc1 491673447 VRVPEZGAPXDPMA-CHWSQXEVSA-N 290.432 3.523 30 20 CHED CC(C)(C)CCCC(=O)N(O)Cc1ccc(F)cc1 901374492 KOUOEAZXPOLASU-UHFFFAOYSA-N 267.344 3.760 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](CC)c1c(C)noc1C 664535368 MXLGRZAVERBMEY-ZDUSSCGKSA-N 293.411 3.787 30 20 CHED CC(C)n1cncc1/C=C1\CCc2ccc(F)cc2C1=O 901490627 PNPKYCPQHIRLGO-NTUHNPAUSA-N 284.334 3.816 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)NCC(C)(C)CCC#N)C1 494630967 HSXFMSUUKCKULX-HUUCEWRRSA-N 293.455 3.830 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(SCC)cc1 491673460 VRVPEZGAPXDPMA-QWHCGFSZSA-N 290.432 3.523 30 20 CHED C=CCC1(NC(=O)Nc2ccccc2Cl)CCOCC1 665125351 VEYIRASOUBBEII-UHFFFAOYSA-N 294.782 3.587 30 20 CHED CC[C@@H](N[C@H](C)c1nccn1CC)c1cccc(C#N)c1 903010955 UMBBGXLDFFGNJK-CZUORRHYSA-N 282.391 3.577 30 20 CHED C=CCOC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 738811363 WANFJFKAUUPVKU-JTQLQIEISA-N 272.266 3.613 30 20 CHED CCCN(CC)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 589351063 RYNCDZRHBIIWQH-DNVCBOLYSA-N 299.462 3.646 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCCSC1 588232487 IVLXKZASZBLQAC-WMLDXEAASA-N 286.444 3.668 30 20 CHED CSCc1cccc(NC(=O)NCC(C)(C)CC#N)c1 581236538 PDVHAGUNCZERJN-UHFFFAOYSA-N 291.420 3.611 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(C(=O)C#CC(C)(C)C)[C@H]2C 837521567 CXXDFHYEMZRQLX-KBPBESRZSA-N 299.414 3.579 30 20 CHED CC[C@H](NCCC1(COC)CCC1)c1cccc(C#N)c1 903001873 YVBUVLMTBKUTOK-KRWDZBQOSA-N 286.419 3.806 30 20 CHED C=CCN(CC=C)C(=O)c1cc2ccc(F)cc2s1 586749730 ZDNSVFKNYHKHTK-UHFFFAOYSA-N 275.348 3.855 30 20 CHED C=CCCCN1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 735490426 KCIOIMVHYJDMMP-CABCVRRESA-N 296.455 3.720 30 20 CHED CCn1cncc1/C=C1\C(=O)c2cccc(C)c2[C@@H]1C 901489037 LXEQIGIVMTZTAH-PWDRSIHYSA-N 266.344 3.595 30 20 CHED Clc1ccc(C=NN=c2cc[nH]c3ccccc23)s1 730146670 DEFAHJOHFYLTJZ-UHFFFAOYSA-N 287.775 3.818 30 20 CHED C=CC[C@@H](N[C@@H](CC)c1ccncc1)c1ccncc1 834589628 MIONSUPULVVEJR-DLBZAZTESA-N 267.376 3.835 30 20 CHED C=CCC1(C(=O)N2CC(C3CCCCC3)C2)CCC1 580115125 QVYYQVZEICJJLX-UHFFFAOYSA-N 261.409 3.772 30 20 CHED C#CCCCC(=O)N1CCCc2c(Cl)ccc(C)c21 839441875 HYTQZTTXOQPNFX-UHFFFAOYSA-N 275.779 3.731 30 20 CHED CCN(CCc1ccccn1)CCC1(C#N)CCCCC1 839507791 BFVGOWCTKDIUDS-UHFFFAOYSA-N 285.435 3.810 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CCCCCC#N 588160512 ZBUQHXKGMNZZEV-KGLIPLIRSA-N 264.413 3.791 30 20 CHED CCCCCCCC(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 836877223 DILNSBWNCVTZJP-RDJZCZTQSA-N 263.425 3.994 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCCC[C@H]1CCC 679288878 XXOZBMVOPSPJQC-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C=CCCCCCN(C)Cc1n[nH]c2ccccc12 678271122 NZSHPPFHMUGVHD-UHFFFAOYSA-N 257.381 3.741 30 20 CHED Fc1cnc(NN=C2CCc3ccccc3CC2)c(F)c1 835023356 GFOPOIMVXJBJOI-UHFFFAOYSA-N 287.313 3.707 30 20 CHED C#CCCCC(=O)O[C@@H](c1ccccc1)c1ccncc1C 835521759 VSOCOEOPCQKRKA-IBGZPJMESA-N 293.366 3.826 30 20 CHED C=C(C)COC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 839163031 MQFYTPQIWDXQSY-QLFBSQMISA-N 268.397 3.583 30 20 CHED CC[C@H](C#N)C(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 593414107 GRVGWTUSOQKDAX-VXGBXAGGSA-N 290.794 3.942 30 20 CHED C=CCN(C(=O)[C@H](C)SCCCC)C(C)(C)C 598866389 RMTKENNEKJDBQK-LBPRGKRZSA-N 257.443 3.721 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H](CC=C)c1ccccc1 839038739 LKROMSOLLZWDPC-ZBFHGGJFSA-N 256.345 3.691 30 20 CHED N#CC[C@H]1CCCN(Cc2csc(-c3ccoc3)n2)C1 595613722 GSEGHKNVJNMJES-GFCCVEGCSA-N 287.388 3.529 30 20 CHED N#CCC1(COc2cnccc2-c2ccccc2)CC1 596272044 LSWRYFILTRCCFW-UHFFFAOYSA-N 264.328 3.821 30 20 CHED C=C[C@@H](C)NC(=O)c1sc(C2CCCCC2)nc1C 678755573 UFSVDNIVRXAMGY-SNVBAGLBSA-N 278.421 3.804 30 20 CHED C=C(CNC(=O)c1cc2ccc(C)cc2[nH]1)c1ccccc1 673342599 OGPRIORPJCHNPG-UHFFFAOYSA-N 290.366 3.920 30 20 CHED C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccccc1Cl 912352604 NZBFSEPBRPTESI-WFASDCNBSA-N 294.826 3.543 30 20 CHED Fc1ccc(NN=C2CSCc3ccccc32)cc1 915934422 CJCOPCSARJERGT-UHFFFAOYSA-N 272.348 3.889 30 20 CHED COc1cccc(C2(N[C@H]3CCC[C@H](C#N)C3)CCC2)c1 595093930 PUWNFILJJFRDHH-HOCLYGCPSA-N 284.403 3.746 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(OC)c(O)c2)c1 743538426 LJXKMRABEBVGLT-CLFYSBASSA-N 298.338 3.696 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(N(C)C)cc2)cc1F 917613382 IJXKMDUEVUZNQP-POHAHGRESA-N 299.345 3.796 30 20 CHED Cc1cccc(-n2ccnc2SCC2(CC#N)CC2)c1 594880000 CVUINGNFMYFJDS-UHFFFAOYSA-N 283.400 3.967 30 20 CHED CC[C@@H](C#N)C(=O)NCC(CC)(CC)c1ccc(F)cc1 598581768 PWJSBZDBRDXBHN-ZDUSSCGKSA-N 290.382 3.549 30 20 CHED C#CCCCOC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 919665606 DJSAUDKGWGIPFD-UHFFFAOYSA-N 296.322 3.719 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cnc3cccc(C)n13)C2=O 748999373 WVISAADVRBNJFN-GDNBJRDFSA-N 288.350 3.774 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C(C)c1ccccc1C 746681357 GYNSKAWNRVFMCD-UHFFFAOYSA-N 299.330 3.748 30 20 CHED CCC(=NNc1ccc(F)cn1)c1cc(F)ccc1F 743442073 QUQIIKMAWFNDMH-UHFFFAOYSA-N 279.265 3.725 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1cc(C)sc1C 741765717 IDHLTHHNRKMSMA-UHFFFAOYSA-N 294.811 3.953 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)c1cccc(F)c1 843265869 QCLASGKJZNSVGS-SREVYHEPSA-N 272.323 3.574 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1OCCC(C)C 594382839 PUHXSEDYCOJFHX-CYBMUJFWSA-N 274.364 3.600 30 20 CHED N#CCc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 597751152 SHHDQEVPGLGIJG-UHFFFAOYSA-N 281.359 3.555 30 20 CHED C#C[C@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C(C)(C)C 844563716 SQWVTKJDABRTPW-RISCZKNCSA-N 277.795 3.608 30 20 CHED Cc1nc(C)c(CSc2ccc(C#N)c(C)c2)o1 842633039 PXFQNTADVPENSF-UHFFFAOYSA-N 258.346 3.764 30 20 CHED N#CCC1(CSCCc2c(F)cccc2F)CC1 596373184 HLXQLSFTCUVSGL-UHFFFAOYSA-N 267.344 3.934 30 20 CHED Cc1ccc2[nH]c(C(=O)N3CCC[C@H](CC#N)C3)cc2c1C 597908900 DVEXRZGPPPSIFG-CQSZACIVSA-N 295.386 3.551 30 20 CHED C[C@@H](OC(=O)[C@@H]1CC12CCCC2)c1ccc(C#N)cc1 748676628 ALHAPZYCNTZBIY-DOMZBBRYSA-N 269.344 3.743 30 20 CHED Cc1cccc(C(=O)/C=C/c2c(C3CC3)cnn2C)c1C 849244435 BFLJTNVASXGUSN-MDZDMXLPSA-N 280.371 3.810 30 20 CHED O=C(C#CC1CC1)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 840509669 JYGSQNGOKQNFCE-GDBMZVCRSA-N 287.790 3.506 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)cc1C 849241850 OUPVOPMCRBIHGK-FPLPWBNLSA-N 280.371 3.806 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccccc1C1CC1 684767835 UCDCUXKTNWMKQH-SJLPKXTDSA-N 271.404 3.635 30 20 CHED N#Cc1ccc(-c2cc(F)ccc2OC[C@H]2CCCO2)cc1 592442387 PAKFOZRXNOFJRP-MRXNPFEDSA-N 297.329 3.922 30 20 CHED C[C@@H](C#N)N(CCSc1cccc(Cl)c1)C1CC1 595708898 CIALSIDCRYEIJT-NSHDSACASA-N 280.824 3.809 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccccc1C#N 748445848 HASFDFVCDHTMQR-CABCVRRESA-N 297.379 3.775 30 20 CHED C=CCCCCCCCN[C@@H](C)c1ccnc(O)c1 926443808 MUZWBPKUVBWVAX-AWEZNQCLSA-N 262.397 3.964 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2ccccc2C)c1 920944688 HZGOMBSVKNSPGK-LDADJPATSA-N 269.344 3.718 30 20 CHED C#C[C@@H](NC(=O)[C@H](c1ccccc1)C1CC1)c1ccccc1 843644910 XLAYDZVLNDIBLM-RTBURBONSA-N 289.378 3.671 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1ccc(Cl)s1 929380254 UGYJXTZZPVBGPK-JTQLQIEISA-N 271.813 3.962 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc(Cl)c(F)c2)cc1 921254101 RZEBUDWORWGFHZ-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CC(C)(C)OC(=O)N[C@@H]1CCCC(=NOCC2CCC2)C1 853440706 KSTLLLZOAZOYBY-CYBMUJFWSA-N 296.411 3.626 30 20 CHED C=CCN(C/C=C\c1ccc(F)cc1F)C(C)C 757732414 HLBJZGDZFQNPMM-WAYWQWQTSA-N 251.320 3.874 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](c1ccccn1)C1CC1 925570578 XZQCNSQMJNTXHI-HNNXBMFYSA-N 287.407 3.577 30 20 CHED C[C@@H]1CCCCN1N=Cc1cscc1Br 853381539 FNVQFHJBWJKUIR-SECBINFHSA-N 287.226 3.719 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)OCc1ccccc1C#N 920729529 QMMNQVPEHXQIGO-UONOGXRCSA-N 271.360 3.818 30 20 CHED N#C[C@@H](COC(=O)/C=C\c1ccsc1)Cc1ccccc1 750782444 ILJQCWQQXKCGGE-WLMCBFPDSA-N 297.379 3.687 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCC(F)(F)C1 681605011 LKIHZQLGGDDCKM-NSHDSACASA-N 297.370 3.882 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C/c2ccc3[nH]ccc3c2)C1 855438307 FJDBHXOYUDPVNK-DYLHUKMJSA-N 294.398 3.996 30 20 CHED CC1(c2ccccc2)CC(=NNc2ncccc2[N+](=O)[O-])C1 759200533 CLNINOOHJILIKM-UHFFFAOYSA-N 296.330 3.509 30 20 CHED C[C@@H](CC(=O)O[C@@H](C#N)C1CCCCC1)c1ccco1 859813837 OIMLEAIJUYBKJY-WFASDCNBSA-N 275.348 3.789 30 20 CHED N#Cc1cccc(SC[C@@H]2CC2(Cl)Cl)c1 759048871 PDGHICLSZDVSDB-VIFPVBQESA-N 258.173 3.844 30 20 CHED COc1cccc(NN=C[C@H]2C[C@@H]2c2ccccc2)c1 755609273 TXASWTHEZHPFEW-RHSMWYFYSA-N 266.344 3.897 30 20 CHED C=CC(C)(C)CCOC(=O)c1nccc2ccccc12 851299378 JEYPHNUPODGQLW-UHFFFAOYSA-N 269.344 3.994 30 20 CHED C#CCCCCNC(=O)NCC1(c2ccccc2)CCCC1 758691912 ZENURUOCJMIJHB-UHFFFAOYSA-N 298.430 3.601 30 20 CHED CC(C)CC(C)(C)C(=O)O[C@@H](C)CC(C)(C)C#N 851209500 MBPCINKVCBLEJV-LBPRGKRZSA-N 253.386 3.930 30 20 CHED C=C[C@H](OC(=O)CSCCC)c1ccccc1 851452243 IEIVBGRQHBKUJS-ZDUSSCGKSA-N 250.363 3.600 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(Cc1cccs1)C(C)C 930621394 LSOAHDBWYGICED-UHFFFAOYSA-N 298.411 3.979 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccccc1O 750946398 QNYDRWGSWRTDCA-UHFFFAOYSA-N 258.296 3.676 30 20 CHED CCCCCCCCNC(=O)c1cccc(CC#N)c1 755146684 ICOSLEUDGNVRJZ-UHFFFAOYSA-N 272.392 3.843 30 20 CHED CCCCCCCNC(=O)Cc1c(C)nn(C(C)C)c1C 862356458 XUVRALPLXASUIX-UHFFFAOYSA-N 293.455 3.710 30 20 CHED C=C(Cl)C[C@H](NCC1CCC(CCC)CC1)C(=O)O 864519716 XDGMQXXVZYPLPE-RUXDESIVSA-N 287.831 3.778 30 20 CHED CC#CCCOC(=O)[C@H](C)c1ccc(Br)cc1 760289313 LAGMCUBGWCSYSY-LLVKDONJSA-N 295.176 3.509 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sccc1-c1ccc(C)cc1 767233271 VAOXWEDLCNICCB-CYBMUJFWSA-N 283.396 3.817 30 20 CHED Cc1cc(C=NNc2cccc(C(F)(F)F)n2)c(C)o1 767908643 XBECEJDRVHPVDC-UHFFFAOYSA-N 283.253 3.756 30 20 CHED COc1cccc(NN=Cc2c[nH]c3cccc(F)c23)c1 763359692 RSCIVESAJDVMNQ-UHFFFAOYSA-N 283.306 3.762 30 20 CHED C#CCCOc1ccc(CN(C)C(C2CC2)C2CC2)cc1 769192076 CNIGJKSBWUHSCT-UHFFFAOYSA-N 283.415 3.709 30 20 CHED CC(=NNc1cccc(C)n1)c1cc(C)ccc1C 863161575 GVBASNCPOXKWPV-UHFFFAOYSA-N 253.349 3.843 30 20 CHED CO[C@@H]1Cc2ccc(NCc3ccc(C#N)c(C)c3)cc2C1 767682911 GHOKZCQRLFJSRY-LJQANCHMSA-N 292.382 3.592 30 20 CHED Clc1scc(C=NNC2CCCC2)c1Cl 761808061 MWOQRGDMXOHTAV-UHFFFAOYSA-N 263.193 3.921 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)Cc1coc2cc(F)ccc12 765630691 VKMRDOCAMSGFIG-AWEZNQCLSA-N 289.306 3.596 30 20 CHED CCc1cnccc1C(C)=NNCc1ccccc1Cl 765571036 HOZKEFXAWQAHMK-UHFFFAOYSA-N 287.794 3.811 30 20 CHED C#CCC(C)(C)COC(=O)c1cc2cccc(OC)c2o1 760266919 IRNNOMWDDRIFGI-UHFFFAOYSA-N 286.327 3.648 30 20 CHED CCC[C@@H](CC)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 873523400 JYEZQIZMRVLXML-OLZOCXBDSA-N 281.359 3.632 30 20 CHED C#CCCCCCC(=O)N(CC=C)Cc1ccccc1F 779858443 DSFPFVNRXZWLQE-UHFFFAOYSA-N 287.378 3.924 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCCC3(C)C)[nH]c12 774104310 RBPZJHSOISFFDS-CHWSQXEVSA-N 295.386 3.874 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)Cc2c(Cl)cccc21 777467153 JCJPWDUWUCRYEP-POHAHGRESA-N 273.694 3.697 30 20 CHED CC(=NOCCC(F)(F)F)c1cnc2ccsc2c1 777459230 IBISVDUMTDHEPN-UHFFFAOYSA-N 288.294 3.989 30 20 CHED C#CCCCCCCN[C@@H]1CCN(C(C)=O)c2ccccc21 877120390 JNIUUPYMIXGPOD-GOSISDBHSA-N 298.430 3.658 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 776155900 JFERJZUYWZTDOY-KSSFIOAISA-N 277.371 3.921 30 20 CHED CCOc1ccccc1C(=O)OCc1ccc(CC#N)cc1 776112119 DHYHRHRJOWDBFK-UHFFFAOYSA-N 295.338 3.508 30 20 CHED C=C[C@H](CC)CC(=O)NCc1cc2cccc(OC)c2o1 1119908799 OBTCZPIFBQTMSU-GFCCVEGCSA-N 287.359 3.660 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(C)sc1C 1129069246 MMQHYJWTKDSQMN-UHFFFAOYSA-N 298.367 3.692 30 20 CHED C#CCCCCCC(=O)NCCc1c[nH]c2cc(C)ccc12 779891951 DJKPZKUHKHIEHX-UHFFFAOYSA-N 296.414 3.719 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=Cc1ccc(C#N)s1 777447275 FMMKEXBQKIIIOR-KRWDZBQOSA-N 297.427 3.811 30 20 CHED CO[C@@H](COC(=O)CCCCCC#N)C1CCCCC1 1122997318 DRKOXDBCLWGZPF-HNNXBMFYSA-N 281.396 3.599 30 20 CHED CC(Cn1nc(C)cc1C)=NOCCCCc1ccccc1 774748881 GJELZCGTRVLQKC-UHFFFAOYSA-N 299.418 3.915 30 20 CHED Cc1cc(C)c(C=NNc2ccc(C#N)c(Cl)c2)[nH]1 783878165 PXJSVYNPTOWYEN-UHFFFAOYSA-N 272.739 3.603 30 20 CHED COc1ccc(NN=C[C@@H]2CCCC(C)(C)C2)nc1 780270726 LREXGELROMUJTH-GFCCVEGCSA-N 261.369 3.704 30 20 CHED C=CCN(C(=O)c1ccc(C)c(Cl)c1F)C(C)C 789932312 PWWNLBDNKFYDRZ-UHFFFAOYSA-N 269.747 3.824 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2ccc(C#N)cc2Cl)cn1 788359237 AOISRFJIUMOEIG-GQCTYLIASA-N 299.761 3.885 30 20 CHED Cc1cc(COC(=O)CC2=CCCCC2)ccc1C#N 783530222 UHHHJNSCLVYEMV-UHFFFAOYSA-N 269.344 3.800 30 20 CHED C=C1CC(c2noc(Cc3csc(C(C)(C)C)n3)n2)C1 896881892 PXYCGHUCYUHKQF-UHFFFAOYSA-N 289.404 3.848 30 20 CHED C#CCC1(C(=O)Nc2ccc(C(C)=O)cc2)CCCCC1 788421539 FSNJQYGECXMLIR-UHFFFAOYSA-N 283.371 3.802 30 20 CHED Cc1cc(F)cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1N 783283548 FXFZRVJPHHSKCT-NSHDSACASA-N 298.317 3.506 30 20 CHED Cc1ccc2cc(C=NOC3CCCC3)ccc2n1 783522687 XWDCODPQNJNUJA-UHFFFAOYSA-N 254.333 3.836 30 20 CHED COc1ccsc1C(=O)/C=C\c1cnn(C2CCC2)c1 899365639 CQAIBOFXRKCTLL-WAYWQWQTSA-N 288.372 3.574 30 20 CHED CC[C@H](C#N)OC(=O)c1ccccc1SC(F)(F)F 781157326 AOWITRIVWLFKFG-MRVPVSSYSA-N 289.278 3.757 30 20 CHED N#CC1(COc2ccc(SC(F)(F)F)cc2)CC1 795269812 XZXKPRCDVIRGQN-UHFFFAOYSA-N 273.279 3.981 30 20 CHED CC(C)(C#N)c1ccc(-c2nc(CCCCF)no2)cc1 897206371 WNNNVMQSSNSJDD-UHFFFAOYSA-N 287.338 3.830 30 20 CHED Cc1cccnc1NN=C1CCC(C(F)(F)F)CC1 790194344 ZGVAAJOHOIRYQX-UHFFFAOYSA-N 271.286 3.910 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)CCc2ccc(O)cc21 794959873 FPURRFHKNUIEGB-XNTDXEJSSA-N 292.334 3.540 30 20 CHED C[C@H](NN=C/C=C\c1ccc(F)cc1F)C(C)(C)C 793114089 JGPGILDINCKCPI-CHITYWFKSA-N 266.335 3.988 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NNCCC(F)(F)F)C1 799114175 UNWKDVDVLCDKCV-GFCCVEGCSA-N 299.340 3.946 30 20 CHED C[C@@H]1CSCC1=NNc1cccc(Cl)c1F 794904114 WXFULWIXFXDVEH-SSDOTTSWSA-N 258.749 3.630 30 20 CHED C=CCC[C@@H](C(=O)NOC[C@@H](C)CC)c1ccccc1 794869628 IVEYFQQVKUEHHV-GOEBONIOSA-N 275.392 3.830 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cccc(C(C)C)c1 1138961814 RXZVAHAPFREVNR-UHFFFAOYSA-N 293.370 3.976 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C/c1ccsc1)C2 794960799 IJKVEOFBNZXCCS-LFYBBSHMSA-N 286.352 3.588 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1cc(Cl)cs1 790310413 HDSYLQHPXNNBOR-UHFFFAOYSA-N 299.714 3.895 30 20 CHED C=CCC1(C(=O)OCCCCC2CCOCC2)CCC1 798658273 VTAUIWDLTGLCED-UHFFFAOYSA-N 280.408 3.873 30 20 CHED C[C@@H](NN=Cc1nccc2ccccc12)C(C)(C)C 793114695 MWURGJYRMQKGLV-GFCCVEGCSA-N 255.365 3.593 30 20 CHED N#Cc1ccc(COC(=O)CC2CCCCC2)c(F)c1 797322641 ODNVXCCQURWSAJ-UHFFFAOYSA-N 275.323 3.711 30 20 CHED Cc1ccc(C)c(OC(=O)/C=C\c2ccccc2C#N)c1 799584423 YZJKSASQIAGFLS-KTKRTIGZSA-N 277.323 3.794 30 20 CHED CC[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 85065477 URPFIVZNXCLNFU-DOMZBBRYSA-N 260.356 3.756 30 20 CHED C=CCC(C)(C)C(=O)OC[C@@H]1CCC2(CCCC2)O1 796455722 TVVAYMIZSGRIJU-ZDUSSCGKSA-N 266.381 3.624 30 20 CHED CC#CCCOc1ccc(CNC(=O)OC(C)(C)C)cc1 795233947 ZANYYJPUBFVJHP-UHFFFAOYSA-N 289.375 3.504 30 20 CHED CC(C)SCCNc1nc(C(C)(C)C)ccc1C#N 588084872 NOZDFZOKSGVULW-UHFFFAOYSA-N 277.437 3.804 30 20 CHED C[C@@H]1Cc2cc(CNc3ncc(C#N)cc3Cl)ccc2O1 1307204046 HYIFFUYOFQNPGT-SNVBAGLBSA-N 299.761 3.542 30 20 CHED CC(C)(C)ON=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 1319685576 XFFKDSOLALTHNI-UHFFFAOYSA-N 287.319 3.535 30 20 CHED C#Cc1ccc(C(=O)Nc2c(C)cc(Cl)cc2C)nc1 1319469921 FJJVTZAMTATMFZ-UHFFFAOYSA-N 284.746 3.585 30 20 CHED C[C@@H](SCCCC#N)c1nccn1-c1ccccc1 1327134273 OOZNTBBFIGXADH-CYBMUJFWSA-N 271.389 3.970 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc2c(c1)CCC2 1320866289 VGOOEHVAQLBFKU-MFOYZWKCSA-N 286.334 3.540 30 20 CHED Cc1cc(C#N)c(=O)n(Cc2c(C)ccc3ccccc23)c1 1189538199 OIHRCOIAGPLZTN-UHFFFAOYSA-N 288.350 3.538 30 20 CHED CC[C@@H](CC(=O)N(CC)[C@H](C#N)CC)c1ccccc1 1337580166 FYTBUROUYMFJQD-HOCLYGCPSA-N 272.392 3.721 30 20 CHED CCc1ccc(C(=O)[C@H](C#N)c2cccc(F)n2)cc1CC 1342575985 SXVVEFZFXGVOEI-OAHLLOKOSA-N 296.345 3.836 30 20 CHED C=C(CC(C)C)C(=O)N1CCCc2sccc2C1 1345906702 UMWTVFODZKRZQJ-UHFFFAOYSA-N 263.406 3.625 30 20 CHED CS[C@H]1CC[C@H](N(C)C(=O)CC2(C#N)CCCCC2)C1 1347579771 YMRHJMJMPTZPGY-KBPBESRZSA-N 294.464 3.593 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)c1noc(C)n1 1347237956 HYKKYGMCFBPSOO-VXGBXAGGSA-N 251.374 3.554 30 20 CHED CC(C)(C(=O)Nc1cccc(C#N)n1)c1cccc(Cl)c1 1277168736 ZMNDGUTWHRKAGP-UHFFFAOYSA-N 299.761 3.523 30 20 CHED CCCc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)s1 1352455783 NHDNPJXXTJGHDC-UHFFFAOYSA-N 288.347 3.964 30 20 CHED C[C@H]1CCC[C@H](OC(=O)CC2(C#N)CCCCC2)C1 1351279862 YCJKBGBNPBUQOZ-KBPBESRZSA-N 263.381 3.972 30 20 CHED C[C@H]1CC(C(=O)OCc2cc(C#N)ccc2F)C[C@H](C)C1 1435412894 OMLNYMCLNXKMSC-VXGBXAGGSA-N 289.350 3.813 30 20 CHED N#Cc1cc(F)ccc1NC(=O)Cc1cccc(C2CC2)c1 1516236844 VTPLZKMBOGXDOB-UHFFFAOYSA-N 294.329 3.756 30 20 CHED Cn1ccnc1[C@@H](C#N)C(=O)CC(C)(C)C1CCCCC1 1515835643 HPCSEEPESFVXAO-AWEZNQCLSA-N 287.407 3.593 30 20 CHED CCCCCCCCC(=O)[C@H](C#N)c1nccn1CC 1517064668 MZUHXBYRHQZMTJ-AWEZNQCLSA-N 275.396 3.830 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(F)c(F)c2)c(Cl)c1 225782293 AANMPWXCQKTVFS-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=C(C)C[C@H](C)C(=O)Oc1ccc2cc(C(=O)O)oc2c1 1602750162 NEGNIEQDYBZSJN-JTQLQIEISA-N 288.299 3.639 30 20 CHED C=CCCC[C@@H](NC(=O)CCCCC(C)(C)C)C(=O)O 1602865316 JASDFSFUAIELSV-CYBMUJFWSA-N 283.412 3.519 30 20 CHED O=C(O)c1ccc(C=NOCc2ccccc2Cl)cc1 1608879520 LGWVZMFQLICNPN-UHFFFAOYSA-N 289.718 3.589 30 20 CHED N#Cc1ccc(C(=O)NC2(c3ccccc3Cl)CC2)cc1 1461108908 WMRAIQMTMBNMNO-UHFFFAOYSA-N 296.757 3.631 30 20 CHED CCC(CC)CN(CC)CCc1ccc(C#N)cc1 1615124632 SSUMJLJIKAFJLU-UHFFFAOYSA-N 258.409 3.859 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 227360025 XRPQDPLICSCXDZ-YPMHNXCESA-N 291.376 3.553 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 119341253 ZBEDAKKYDKOPBK-ZJUUUORDSA-N 254.171 3.674 30 20 CHED C[C@H]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H]1C 1629596122 NAGYAJCTKQBSIM-DTWKUNHWSA-N 297.185 3.736 30 20 CHED C=C(CNC(=O)NCc1ccc(C)cc1C)c1ccccc1 1629792496 XZDGLVBMJHKZCX-UHFFFAOYSA-N 294.398 3.816 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(CC2(CC#N)CC2)C1 1559573505 GPOIQMVSVUMVPM-BBRMVZONSA-N 272.367 3.902 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@@H]2CCCC[C@@H]2C1 229956468 VUOBSAAUIRLSLS-DZGCQCFKSA-N 272.367 3.709 30 20 CHED N#CC1(CNC(=O)c2cc3c(ccc4ccccc43)o2)CC1 1635262981 PYTBWAGUQOWAQT-UHFFFAOYSA-N 290.322 3.620 30 20 CHED C=C(C)CNCc1ccc(Br)c2cccnc12 122579456 GLCDPSUXKPPORK-UHFFFAOYSA-N 291.192 3.663 30 20 CHED Cc1cc(Oc2cc(F)cc(Cl)c2)ncc1C#N 1642990528 XTVRCBVNNBEBGQ-UHFFFAOYSA-N 262.671 3.847 30 20 CHED Cc1nc(SCCC2(C#N)CCCCC2)nc(O)c1C 1652752524 NVASXWQFBUFPLD-UHFFFAOYSA-N 291.420 3.755 30 20 CHED COCC1(CSc2ccc(C#N)c(C)c2)CCC1 1652913063 ZPPZANMOMRCRGT-UHFFFAOYSA-N 261.390 3.776 30 20 CHED Cc1cc(Oc2cc(C3CC3)ncn2)c(C)c(C)c1C#N 1651830131 MBHHQUJNPRUCOI-UHFFFAOYSA-N 279.343 3.943 30 20 CHED C=CCCCCCN1CCC(C2(C(=O)O)CCC2)CC1 1776173379 JOPQQJLAJISDLV-UHFFFAOYSA-N 279.424 3.700 30 20 CHED O=C(O)c1cc2cc(C=NOCc3ccccc3)ccc2o1 1776029439 RMSXAGDRKVGRAQ-UHFFFAOYSA-N 295.294 3.682 30 20 CHED N#Cc1ccnc(SCc2cccc(Cl)c2)c1 5933071 VLUVZDRLWOXROM-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC(C)(C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 161150609 WWBORAZGRLTHKQ-NSHDSACASA-N 285.174 3.720 30 20 CHED Cc1ccc(C#N)c(N2C[C@H](c3ccccc3)C[C@@H]2C)n1 161456917 IFHOYRFJFZKCLX-WMLDXEAASA-N 277.371 3.644 30 20 CHED C=CCn1c(SCC)nnc1-c1ccccc1C 158116644 OTNJLLFGSOTRCG-UHFFFAOYSA-N 259.378 3.552 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2nc(S)oc2c1 163660212 BRSNTJSMUUYMOA-UHFFFAOYSA-N 288.372 3.823 30 20 CHED CC(C)(C#N)CNCC1CCC(C(C)(C)C)CC1 168928556 XBGGESHNFQIUTQ-UHFFFAOYSA-N 250.430 3.978 30 20 CHED C=CCCSCC(=O)N(C)[C@@H](C)c1ccccc1 151988620 NGFFLPFCWZCSLV-ZDUSSCGKSA-N 263.406 3.515 30 20 CHED C=CCCNc1ccc(CC(=O)Nc2ccccc2F)cc1 157189497 BIPHFWUDXYHTKT-UHFFFAOYSA-N 298.361 3.995 30 20 CHED Cc1nc(CCOc2ccc(C#N)cc2Cl)cs1 157259620 LSEVAWQNYMMTCE-UHFFFAOYSA-N 278.764 3.598 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)ccc1O 156737757 HNQGAZPHEMXZEG-UHFFFAOYSA-N 261.365 3.519 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(OC)cc1OC 156818955 LDKQDIYDAVFGSW-UHFFFAOYSA-N 291.391 3.522 30 20 CHED CCCCCn1nc(C(C)(C)C)c(CCC#N)c1O 159853990 GDBFOVWZAHNRQC-UHFFFAOYSA-N 263.385 3.533 30 20 CHED CC1(C)C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCO1 159993581 ZKQRIRNNVXBHSZ-GFCCVEGCSA-N 298.308 3.947 30 20 CHED C#C[C@@H](NCc1csc(-c2cccs2)n1)C(C)C 809685356 PGBDPORKPMBAEI-GFCCVEGCSA-N 276.430 3.619 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1cc(C2CC2)n(C)n1 927106809 FXKVBCROBARZLK-BBRMVZONSA-N 273.424 3.522 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CCC(C)(C)C2)c1 1275796916 MGNVMDIQFYDOLB-CYBMUJFWSA-N 256.349 3.632 30 20 CHED C=CCCCCN[C@@H](C)c1nc2ccccc2n1C 274404484 BRBJMPCIZMNKGA-ZDUSSCGKSA-N 257.381 3.580 30 20 CHED C=CCC(C)(C)CNCc1cc(Cl)ccc1O 310586926 WFNUMEHUBDAYHT-UHFFFAOYSA-N 253.773 3.738 30 20 CHED C=CCC(C)(C)CNc1ncc([N+](=O)[O-])cc1Cl 310765451 BPQURHPNYYBFQC-UHFFFAOYSA-N 269.732 3.657 30 20 CHED COc1cc(Nc2nc(C)c(C#N)cc2Cl)ccc1F 313083050 LQZWMVBBERLXKT-UHFFFAOYSA-N 291.713 3.806 30 20 CHED CCC1(C(=O)Nc2cccc(CC#N)c2)CCCC1 313462862 KNRDGFHCDMWCKK-UHFFFAOYSA-N 256.349 3.662 30 20 CHED CSc1ccc(Cl)c(C(=O)N(CCC#N)C(C)C)c1 516886260 HQUUIJPGWATKOM-UHFFFAOYSA-N 296.823 3.826 30 20 CHED N#CCCC1CCN(C(=O)c2cc(Cl)ccc2F)CC1 335385173 QTHNWKYEQFOIBI-UHFFFAOYSA-N 294.757 3.635 30 20 CHED Cc1csc(CNc2nc(C(F)(F)F)ccc2C#N)c1 344634342 SRKBUFHIUXXJPN-UHFFFAOYSA-N 297.305 3.954 30 20 CHED COc1ccc(CN(C)[C@H]2CCC(C)(C)C2)cc1C#N 355576484 BZJZOFQWNIFEFA-HNNXBMFYSA-N 272.392 3.577 30 20 CHED C=CCCSCCN[C@@H](C)Cc1ccc(OC)cc1 595060965 WVOIYAIRQFGROI-AWEZNQCLSA-N 279.449 3.525 30 20 CHED C=C(C)CCN[C@@H](c1ccccc1)c1ccccn1 386934935 UOAMYOZZJXJSRR-KRWDZBQOSA-N 252.361 3.727 30 20 CHED CCC[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 399000746 SCJXUMHNZIUOOJ-QGZVFWFLSA-N 256.393 3.907 30 20 CHED Oc1ccc(Cl)c(F)c1C=NOCc1ccccc1 790153910 OBDGGJPCGAODOX-UHFFFAOYSA-N 279.698 3.735 30 20 CHED C[C@@H](CCc1ccccc1)/N=C\c1ccccc1O 103010737 VCYKLZPEKINGBD-RVAQLADHSA-N 253.345 3.832 30 20 CHED C=CCOc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1 58745667 IHGJKNPOTLCVEW-UHFFFAOYSA-N 297.329 3.593 30 20 CHED C[C@H](c1ccc(Cl)cc1)[S@](=O)CCCCC#N 108118602 KGNRTAVIORFWSU-DIFFPNOSSA-N 269.797 3.844 30 20 CHED Cc1ccccc1C(C)(C)CNCc1ccc(C#N)o1 174329584 QTMNYGIWJWJZHX-UHFFFAOYSA-N 268.360 3.527 30 20 CHED CCCCCCCC(=O)N(Cc1ccncc1)C1CC1 102705555 ICAFMZCORGTFLR-UHFFFAOYSA-N 274.408 3.933 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cnc(CCC)s2)c1 172973482 WPNIJIALVORNTQ-UHFFFAOYSA-N 298.411 3.744 30 20 CHED N#Cc1cc(NCc2cccc3cccnc23)ccc1F 51635701 YMAJHKBAKJUDTJ-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(Br)c1 116995871 UJOZFSMKNSOMNQ-VIFPVBQESA-N 283.169 3.535 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1OCC 104976350 PFRITCCADOLALI-UHFFFAOYSA-N 262.353 3.515 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)NCc1ccc(C#N)cc1 177211118 YFHJFQJXULBRGD-KRWDZBQOSA-N 299.418 3.668 30 20 CHED CCC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 177987028 IMRJCKNHSVDQLA-OALUTQOASA-N 294.398 3.723 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1cc(C#N)cs1 179911211 ZCAXCWWDTVGNPD-GFCCVEGCSA-N 268.385 3.567 30 20 CHED C#CCCCCC(=O)N[C@@H](C)Cc1ccc(C)cc1C 119827110 LLUFXHXXONNZQS-INIZCTEOSA-N 271.404 3.544 30 20 CHED C=C(C)CS[C@H](C)C(=O)N[C@H](C)c1ccccc1C 177868632 JPDDRVXHKRXRKL-ZIAGYGMSSA-N 277.433 3.870 30 20 CHED Cn1cc(C(=O)N(CCC#N)CC(C)(C)C)c2ccccc21 170898489 GMJUTXXWYGTSEI-UHFFFAOYSA-N 297.402 3.580 30 20 CHED C=CC[C@H](C)NC(=O)CCCOc1ccccc1Cl 116851767 GYKFVDNXFABUDV-LBPRGKRZSA-N 281.783 3.580 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1cccc(OC)c1 116972182 MQSYILRLYUVWGG-XJKSGUPXSA-N 288.391 3.506 30 20 CHED C=CC1CCN(C(=O)CCc2ccccc2Cl)CC1 110369709 ZRGWQUXRTUIKNJ-UHFFFAOYSA-N 277.795 3.697 30 20 CHED CSCc1ccc(Nc2cccc(C#N)n2)cc1 301822267 HFFWOZFSEVFIOT-UHFFFAOYSA-N 255.346 3.560 30 20 CHED CC(C)Oc1cccc(CNCc2ccc(C#N)c(F)c2)c1 404832227 IYRIRACMNIYGRT-UHFFFAOYSA-N 298.361 3.774 30 20 CHED C=CCCCC(=O)N(C)[C@H](C)c1sc(C)nc1C 175595293 SMEUJSUXNHKIAH-LLVKDONJSA-N 266.410 3.636 30 20 CHED N#Cc1cn([C@H]2C=CCCC2)c2ccc(Cl)cc2c1=O 171793661 BHYJNKZIPLTQKO-ZDUSSCGKSA-N 284.746 3.808 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)oc1C 129434593 TVVUSMPXBJWRGL-NSHDSACASA-N 288.372 3.966 30 20 CHED C#CCC(C)(C)C(=O)N(C)Cc1cccc2ccccc12 185197618 FLCYQWSEQFUWMY-UHFFFAOYSA-N 279.383 3.848 30 20 CHED C=C[C@H](CC(=O)OCCSCC)c1ccccc1 122098529 OZKGGOFIUNMJOU-CYBMUJFWSA-N 264.390 3.643 30 20 CHED Cn1cc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1C#N 189586304 VZZPVRHRHWGQGY-KRWDZBQOSA-N 299.393 3.913 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccccc1C(F)(F)F 124916171 IGJGNAHWMHKMCQ-KRWDZBQOSA-N 282.714 3.707 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1ccc(F)c(F)c1 186106281 SSVMOJNQVCYBQL-NSHDSACASA-N 266.287 3.763 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1 32416389 LHDQDPBOIWRTEZ-HOTGVXAUSA-N 284.403 3.893 30 20 CHED C=CCCC(=O)Nc1cc(Br)c(C)cc1C 187593669 IGIHNJJATGHDOQ-UHFFFAOYSA-N 282.181 3.971 30 20 CHED N#CCSCC(=O)Nc1ccccc1-c1ccccc1 36832994 XLNIIKVIURQMRI-UHFFFAOYSA-N 282.368 3.549 30 20 CHED CC(C)NCc1cccc(OCc2cccc(C#N)c2)c1 37505291 JJXDCDBWGIIAGI-UHFFFAOYSA-N 280.371 3.635 30 20 CHED Cc1cscc1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416110683 SSJDCBRQGMAUKM-INIZCTEOSA-N 296.395 3.736 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccc(C)cc1SC 417055161 KWQPSPLTGIVHRT-UHFFFAOYSA-N 292.448 3.553 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 503355967 LDGVMXZBLVPWIM-JYAVWHMHSA-N 270.376 3.878 30 20 CHED C=CCC[C@H](NCc1ncc(C)o1)c1ccccc1 180043969 GMRGNXVJHITPFG-HNNXBMFYSA-N 256.349 3.780 30 20 CHED N#CCCCCSc1nnc(C2CC2)n1-c1ccccc1 120922487 LSKQWDDLXFYIBY-UHFFFAOYSA-N 298.415 3.931 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1Cl 182618548 SWOOAVCJNFEYAK-NSHDSACASA-N 251.757 3.815 30 20 CHED CC(=O)c1ccc2c(c1)CN(CCCCC(C)(C)C#N)C2 411965853 XNJVRCAJVKIGNQ-UHFFFAOYSA-N 284.403 3.925 30 20 CHED CCCCOc1ccc(CN2CCC(C#N)CC2)cc1 123734170 NPKRFIYBWCPTNY-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C=C(C)CCN1CCC[C@H]1c1cccc(N(C)C)c1 509704264 LNSYAEGQULBSJS-KRWDZBQOSA-N 258.409 3.856 30 20 CHED CC#CCCCC(=O)NCc1c(C)oc2ccccc12 184055237 ZTQPKABSYBNNAA-UHFFFAOYSA-N 269.344 3.551 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(OC2CCC2)CC1 419303215 NWPOERNYHJVVFW-CQSZACIVSA-N 284.403 3.653 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@H](C)C1 500172148 MDBLIPYZONKZAN-STQMWFEESA-N 286.375 3.722 30 20 CHED C=CCC(CC=C)C(=O)NC1(Cc2ccccc2)CC1 186260193 KFFSTJIBAKLLQP-UHFFFAOYSA-N 269.388 3.646 30 20 CHED N#Cc1cccc(C(=O)Oc2c(F)cccc2Cl)c1 129642395 NNWZIWDQXTYAPR-UHFFFAOYSA-N 275.666 3.570 30 20 CHED CCC[C@H](C)CC(=O)N1CCCc2cc(C#N)ccc21 411001788 NEIGOBLNBFUFGM-ZDUSSCGKSA-N 270.376 3.664 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2cccc(C#N)c2)C1 507182112 LZJSWCKKXBPRNX-SFHVURJKSA-N 276.383 3.856 30 20 CHED O/C(=N\c1nnc2ccccn12)c1cc2ccccc2s1 31738778 OXEKFQNVTXWBIP-UHFFFAOYSA-N 294.339 3.580 30 20 CHED C[C@H](SC1=N[C@H](C)CS1)c1cccc(C#N)c1 189873974 XEIJEVZVIJHSPR-ZJUUUORDSA-N 262.403 3.844 30 20 CHED CCN(Cc1occc1C)C(=O)Nc1ccc(CC#N)cc1 416835344 JVDIPGPJRRMFLC-UHFFFAOYSA-N 297.358 3.708 30 20 CHED CN(CCSc1ccccc1)Cc1ccc(C#N)cc1 74348904 MDECMRHUTUPBFO-UHFFFAOYSA-N 282.412 3.782 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 183823086 NRVNAJGUFFOFCM-CQSZACIVSA-N 295.382 3.862 30 20 CHED N#Cc1cc(NCc2cc(F)ccc2F)nc2ccccc12 316026488 UKODYDXPYZTEOE-UHFFFAOYSA-N 295.292 3.997 30 20 CHED CC[C@H](CC(=O)Nc1cnc(C#N)c(Cl)c1)C(C)C 411037243 ZNNYRXRLQSGINL-SNVBAGLBSA-N 279.771 3.617 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(C(=O)O)s1 48380342 PDXUFXYIDCEGAI-IHWYPQMZSA-N 278.354 3.712 30 20 CHED COc1cc(C#N)ccc1NCc1ccc2ncccc2c1 317529484 UIFQIOHDZQJMKB-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=CCCC(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 74264950 HZUVUHQSBUJMEJ-NVXWUHKLSA-N 271.404 3.995 30 20 CHED C=CCNC(=O)CSCc1ccc(Cl)cc1Cl 46805241 QQJSKUYSHTXSNP-UHFFFAOYSA-N 290.215 3.529 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C 72482539 UXHDTYCGEBULJN-INIZCTEOSA-N 290.382 3.906 30 20 CHED Cc1cc(C(=O)Nc2scc(C(C)(C)C)c2C#N)ccn1 410920129 BLCPHIPAPUTCTO-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(OC2CCC2)cc1Cl 135047337 XLHMBVUUNKVMLK-LLVKDONJSA-N 293.794 3.966 30 20 CHED CCCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 185871142 MURJWLFFNOGJIE-DZGCQCFKSA-N 258.365 3.970 30 20 CHED C[C@H]1CC(C(=O)N[C@@H](C#N)C2CCCCC2)C[C@H](C)C1 504564111 TVUNCGPAIAKNSN-IOASZLSFSA-N 276.424 3.647 30 20 CHED COC1CCC(Nc2c(Cl)cccc2C#N)CC1 413420336 PEYYKUVAZXEEAK-UHFFFAOYSA-N 264.756 3.581 30 20 CHED CC(C)C(=O)Nc1ccc(OCCCC(C)(C)C#N)cc1 135511196 CVYOXJCWDOGZIN-UHFFFAOYSA-N 288.391 3.990 30 20 CHED C=C[C@@H]1CCCCN1c1ncc(F)c(-c2ccsc2)n1 418934956 CGIYWKFFKJXGEA-GFCCVEGCSA-N 289.379 3.889 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 504676339 HPQILHJFYVIKPC-FMPTWSOUSA-N 295.386 3.504 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCC(C)(C)C1 411057955 BPHDGAPADCKKIJ-CYBMUJFWSA-N 284.359 3.526 30 20 CHED CCC[C@H](N/C(O)=N/[C@H]1CCCOCC1)C1CCCCC1 329265017 GXQODMKWXBTTGH-HOTGVXAUSA-N 296.455 3.808 30 20 CHED C=CCC1(C(=O)NCCCOc2ccc(C)cc2)CCC1 190923839 IGIFVBKYHMWZMD-UHFFFAOYSA-N 287.403 3.627 30 20 CHED CCC[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)C(C)C 135132985 YJFQGHQDXMSDCJ-MRXNPFEDSA-N 272.392 3.589 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCCCC(=O)OC(C)(C)C 424701497 TVXXMBKBVJQAPO-UHFFFAOYSA-N 297.439 3.607 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 519801188 CBHMZEYJLFTGEQ-FRFSOERESA-N 276.424 3.647 30 20 CHED CCN(Cc1ccc(C#N)cc1)Cc1cccs1 42211381 FKCZRTIEAFABMU-UHFFFAOYSA-N 256.374 3.642 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(CC#N)cc1 192837149 XLQMRYAMYRHALR-BBRMVZONSA-N 285.391 3.795 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1cc2ccccc2o1 195175546 RPGFPYDXIGOLQL-CMDGGOBGSA-N 280.327 3.679 30 20 CHED N#CCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1 335472042 XBULLZOUPFNSNM-UHFFFAOYSA-N 293.317 3.512 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC(C(C)(C)C)C2)cc1 334679030 QPFSMJQNCPUZQX-UHFFFAOYSA-N 299.418 3.998 30 20 CHED COc1ccccc1/C=C1\COc2c(C)cccc2C1=O 141625967 KSFBSRWVUQBQJL-GXDHUFHOSA-N 280.323 3.662 30 20 CHED N#Cc1ccc(NC(=O)c2occ3c2CCC3)c(Cl)c1 335990779 ULBHSVRZZSHIMU-UHFFFAOYSA-N 286.718 3.546 30 20 CHED CC(C)C[C@H](C)n1nccc1N/C(O)=N/[C@@H]1C=CCCC1 330035619 BVYBAQNQBZODKA-UONOGXRCSA-N 290.411 3.925 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1 97147121 CMKRAYAABBPHIR-YVMONPNESA-N 269.250 3.733 30 20 CHED C[C@H](C#N)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 334831877 IGKHVWVHAWQOCS-CXAGYDPISA-N 278.355 3.663 30 20 CHED Cc1cccc([C@H](C)NC(=O)N2CCC(CC#N)CC2)c1C 334226513 ZPFSSWCXUJCHDN-HNNXBMFYSA-N 299.418 3.700 30 20 CHED CC[C@H](C)[C@H](C)N(CCOc1ccccc1C#N)C1CC1 517899106 JNIQTZZBKAXCGT-GJZGRUSLSA-N 286.419 3.836 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1Cl 335863289 MPBFCDFZLKYFET-IINYFYTJSA-N 289.766 3.618 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)[C@@H]1CCSc2ccccc21 330050061 LINDGHAHYKRPGF-YUTCNCBUSA-N 286.400 3.915 30 20 CHED C=CCOc1cccc(NS(=O)(=O)[C@H](CC)CCC)c1 431538268 LRHQYJZAXWBQAJ-OAHLLOKOSA-N 297.420 3.572 30 20 CHED C=CC(C)(C)CN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 384833949 GCPVFRIAZZWBHY-KGLIPLIRSA-N 296.455 3.624 30 20 CHED N#Cc1cscc1C(=O)N1CCCC12CCCCC2 334544719 OIBROUWRFORNDT-UHFFFAOYSA-N 274.389 3.559 30 20 CHED Cc1cc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccn1 527533596 IILJDUNBYFETIH-OALUTQOASA-N 291.398 3.662 30 20 CHED N#Cc1ccc(SC[C@H]2CCCCC2(F)F)nc1 295829394 VXZDGIDCQQFQCN-LLVKDONJSA-N 268.332 3.871 30 20 CHED Cc1cc(C(=O)CSc2ccc(C#N)cn2)c(C)s1 340563618 XPOYSFYDIBSZPR-UHFFFAOYSA-N 288.397 3.607 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1OCCCC 248181112 YRCKTRLNKMDBBG-AWEZNQCLSA-N 291.391 3.785 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 341487414 PCJAUPFQCHSUHQ-FZMZJTMJSA-N 262.740 3.586 30 20 CHED CN(CCCOCc1ccccc1)Cc1ccc(C#N)cc1 182194285 WDNKGDJEWXEMMS-UHFFFAOYSA-N 294.398 3.597 30 20 CHED CC1CCC(CC(=O)NC2(C#N)CCCCC2)CC1 522389035 OBTIUICURLBBJH-UHFFFAOYSA-N 262.397 3.545 30 20 CHED CC1(C)C[C@H](NC(=O)c2ccc(C#N)cc2)c2ccccc21 431828536 QXEVAABWLKCZAE-KRWDZBQOSA-N 290.366 3.711 30 20 CHED N#Cc1ccc(N2CCC3(CCSCC3)CC2)cc1 601217256 YEBBRVYKJWBGFF-UHFFFAOYSA-N 272.417 3.672 30 20 CHED CC(C)(C)[C@H]1CCCN(C[C@@H](C#N)CCC#N)CC1 247046090 OGDPERBQGSWJTK-CABCVRRESA-N 261.413 3.578 30 20 CHED Cc1cccc(C)c1OC[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 248874656 IZCVGTZEUUHLDE-GVDBMIGSSA-N 286.419 3.743 30 20 CHED Cc1nc2ccccc2c(N(C)CC(C)(C)C#N)c1C 432141010 SLEWQNFVBKMYSQ-UHFFFAOYSA-N 267.376 3.838 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cc3c(cc2Cl)CCC3)C1 528001139 LNINJIDJLPUAKK-GXFFZTMASA-N 260.768 3.933 30 20 CHED C[C@@H](CCC#N)CN(C)C(C)(C)CN1CCCCCC1 602625497 ZRGIZDVYZQMLIA-INIZCTEOSA-N 279.472 3.513 30 20 CHED C=CCCCC(=O)N[C@@H]1CCCc2ccc(C)cc21 344704051 NQHBLQIDTVJFKJ-MRXNPFEDSA-N 257.377 3.845 30 20 CHED C=CCC[C@@H](C)N[C@@H](CCO)c1ccc(Cl)cc1 348246127 RRXSRYZSDVNTEP-DOMZBBRYSA-N 267.800 3.708 30 20 CHED C=CCC[C@H](NC(=O)NCC1CCC1)c1ccccc1 434970428 BIULDUYHWXDVID-INIZCTEOSA-N 272.392 3.793 30 20 CHED N#Cc1cccc(CNC2(c3ccc(Cl)cc3)CCC2)n1 602533099 NXMUECBGCZKSHX-UHFFFAOYSA-N 297.789 3.776 30 20 CHED CCCCCN(C(=O)NCC#Cc1ccccc1)C(C)C 523342094 QDBJICLPIWOSCV-UHFFFAOYSA-N 286.419 3.648 30 20 CHED C[C@@H](CCC#N)CNCC1(Cc2ccc(F)cc2)CC1 602580894 FACIUDLVXDRQMX-AWEZNQCLSA-N 274.383 3.678 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 529434941 WRTOSNWJOZXCTL-JTQLQIEISA-N 296.773 3.986 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc3c(c2)COC3)CCCC1(C)C 347461046 FOIMUPCWFVFUQO-KRWDZBQOSA-N 299.414 3.924 30 20 CHED CSCCc1ccc(NC[C@H](C)CCC#N)cc1 602491661 QSPOZDUKGYYFID-CYBMUJFWSA-N 262.422 3.944 30 20 CHED C(=N/N=c1\[nH]c2ccccc2s1)c1c[nH]c2ccccc12 254844161 XJFLTNDKFGTCIO-UHFFFAOYSA-N 292.367 3.646 30 20 CHED CCC[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 608917360 ABKCNFAAMINTSC-CQSZACIVSA-N 287.407 3.667 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H]1C[C@H]2CC[C@H]1C2 251731563 ZVSSOASGHZAHQT-ASHKBJFXSA-N 285.347 3.703 30 20 CHED CC#CCNC(=O)Nc1ccccc1COC(C)(C)CC 443373325 ODEVONKZQAUNEE-UHFFFAOYSA-N 288.391 3.537 30 20 CHED C=CCN(Cc1cccs1)Cc1cnccc1C 353382990 QRGUWOWWKSVFIP-UHFFFAOYSA-N 258.390 3.640 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc(F)ccc1-c1ccoc1 350931337 VGDHESWTUKQPFF-ZDUSSCGKSA-N 286.306 3.508 30 20 CHED C[C@H](CC#N)NC(=O)CC1(CCc2ccccc2)CCCC1 353769418 RCAKJFDIALBIAR-MRXNPFEDSA-N 298.430 3.988 30 20 CHED Cc1sc(CN[C@H]2CCC[C@@H](C#N)C2)nc1C(C)C 447528376 ISJNTAGIVOOAII-OLZOCXBDSA-N 277.437 3.747 30 20 CHED CC1(C#N)CCC(N[C@@H]2C[C@H]2Cc2ccccc2)CC1 449153766 KWGWDLPSMGTJLS-RZZCCWGQSA-N 268.404 3.680 30 20 CHED CCCC[C@H](COC)N[C@@H](CC)c1ccc(C#N)cc1 447538224 BCAJIPSTRPKBAF-SJORKVTESA-N 274.408 3.804 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCC1(CC#N)CC1 355845681 NDPMQXMTDBGSAM-KBPBESRZSA-N 291.439 3.536 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 264075351 OVUSSDLHAVDCGA-LBPRGKRZSA-N 297.402 3.840 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H](c1ccccc1)C1CC1 350110353 FPVVNVYTNYVCMB-INIZCTEOSA-N 299.418 3.767 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@](C)(CC)C1 537268131 OBESVHZKWSTCAT-GDBMZVCRSA-N 266.429 3.953 30 20 CHED C=CCC[C@H](C)Nc1cccc2c1OCC[C@H]2OC 448026274 HOYWDUAOAZBQHP-SWLSCSKDSA-N 261.365 3.923 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)CC1 353681449 CHNQOTXMLVSUAH-LBPRGKRZSA-N 291.366 3.758 30 20 CHED C=CC[C@H](C)NC(=O)c1oc2ccc(F)cc2c1C 265333374 NCUIDPALDJVOJE-VIFPVBQESA-N 261.296 3.575 30 20 CHED CC1(C)C[C@H]1c1noc(-c2cccc(SCC#N)c2)n1 355874103 PGHAYQAYQLWSED-LBPRGKRZSA-N 285.372 3.866 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1cc(C#N)ccc1F 357815571 VVQITGDZYUDEBW-ZDUSSCGKSA-N 280.346 3.644 30 20 CHED C[C@H](CN(C)C(=O)Cc1ccc(C#N)cc1)C1CCCCC1 530037778 DMLHFCQRMZMLFJ-OAHLLOKOSA-N 298.430 3.776 30 20 CHED COC(=O)c1cccc(CSc2cccs2)c1C#N 534428221 OMHDJJOELJZNNO-UHFFFAOYSA-N 289.381 3.699 30 20 CHED C[C@@H](CCC#N)N1CCC[C@H](c2ccccc2)CC1 351322909 DCVFCPWKCLGEHJ-RDJZCZTQSA-N 256.393 3.948 30 20 CHED CC(C)c1csc(CNCc2ccc(C#N)cc2F)n1 269468784 ZPRUOGWMCORROZ-UHFFFAOYSA-N 289.379 3.567 30 20 CHED CCC(C)(C)C1CCC(NC(=O)[C@@]2(C#N)C[C@@H]2C)CC1 448597369 XIPZRQYPOLZSHC-VBRUCIBASA-N 276.424 3.647 30 20 CHED C=CCN(C(=O)c1ccc(C)c(C)c1Cl)[C@H](C)COC 617580924 HWEWIBRNKGITGK-GFCCVEGCSA-N 295.810 3.620 30 20 CHED C[C@@H](Nc1cccc2nc(O)oc12)c1ccc(C#N)cc1 357285922 RFVLTEJVBJLUKE-SNVBAGLBSA-N 279.299 3.578 30 20 CHED C[C@H](NC(=O)[C@@]1(C)CCC[C@H]1C)c1ccc(C#N)cc1 448666137 SUCUSOIOEAUXCT-IGCXYCKISA-N 270.376 3.562 30 20 CHED COc1ccc2ccccc2c1CN1CCC[C@@](C)(C#N)C1 612406815 UWSXUNZJRUGAIN-IBGZPJMESA-N 294.398 3.974 30 20 CHED CCN(Cc1oc(C)nc1C)[C@H](C)c1ccc(C#N)cc1 618904189 WVJWJZNAJKYDPE-CYBMUJFWSA-N 283.375 3.746 30 20 CHED C[C@@H]1CCCN1C(=O)c1cn(CCCC#N)c2ccccc12 444240278 CVOKYMBRDZZIOZ-CQSZACIVSA-N 295.386 3.570 30 20 CHED CC(C)n1ncc2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc21 619673770 MSLDACSRAOSWMG-TZMCWYRMSA-N 268.364 3.721 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(C)[nH]nc3c2)CC1 356626529 RTSUTRARHRCMAF-UHFFFAOYSA-N 269.348 3.556 30 20 CHED Cc1cc(C#N)ccc1CN1CCOC2(CCCCCC2)C1 614402949 ZVIZMUQTZHBAAW-UHFFFAOYSA-N 298.430 3.792 30 20 CHED C=C(C)CCNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 615825057 CRZJGTRGEODLTN-IRXDYDNUSA-N 271.404 3.728 30 20 CHED N#CC1(CN2CCC(CCc3ccccc3)CC2)CC1 538361626 PTZIYVMJZXLGNK-UHFFFAOYSA-N 268.404 3.635 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(Cl)ccc1OCC 453357876 MPARMYYDVOMGGE-DFBGVHRSSA-N 295.810 3.733 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])s1)c1cccc(C#N)c1 610340386 PUXVSXGCIMRTEW-VIFPVBQESA-N 273.317 3.701 30 20 CHED COc1ccc(Cl)cc1C[S@@](=O)CCC(C)(C)C#N 616179889 XPLUDRNOURFVQW-IBGZPJMESA-N 299.823 3.537 30 20 CHED C=CCC1(NC(=O)c2cc(SC)oc2C)CCCC1 619110080 DJACFJMXRUXMGA-UHFFFAOYSA-N 279.405 3.929 30 20 CHED C=CC[C@H]1CCCN(C(=O)CSc2ccccc2)C1 617788347 HBMCWZBPVZUFGQ-AWEZNQCLSA-N 275.417 3.593 30 20 CHED COc1cccc(C2(N[C@@H](C)c3cccc(C#N)c3)CC2)c1 272334319 YQCJLEAVZUFFLB-AWEZNQCLSA-N 292.382 3.907 30 20 CHED N#Cc1ccc(CN[C@@H]2CSCc3ccccc32)c(F)c1 610812520 IVQCXLDYTMXFOM-QGZVFWFLSA-N 298.386 3.775 30 20 CHED C=CC[C@@H](CC)NC1CCN(c2ccc(OC)cc2)CC1 366966057 KODHTUGAOMRKFE-OAHLLOKOSA-N 288.435 3.608 30 20 CHED Cc1ccc(Oc2ccc(NC(=O)NCCC#N)cc2)cc1 362941538 CXYUIXQEYOLSMJ-UHFFFAOYSA-N 295.342 3.823 30 20 CHED COc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)cc1C#N 610994751 PFXIDRACFWJWQW-IFXJQAMLSA-N 292.382 3.760 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)C1 541959984 GURAUGFGHPXOIS-FZMZJTMJSA-N 290.794 3.847 30 20 CHED CC(C)c1ccc(NC(=O)NCC(C)(C)CC#N)cc1 459226269 DFTMUFYNKVKJOJ-UHFFFAOYSA-N 273.380 3.871 30 20 CHED C#CCC1(C(=O)Nc2ccccc2CCOC)CCCCC1 276439259 LBABULSDCDNYGD-UHFFFAOYSA-N 299.414 3.788 30 20 CHED C=C1CCN(C(=O)[C@H](C)Cc2ccccc2Cl)CC1 270049393 UQIVRKWLXJMRQV-CYBMUJFWSA-N 277.795 3.697 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 458987946 NJLSUHJGDNWTBC-CHWSQXEVSA-N 284.469 3.514 30 20 CHED C=CCC[C@H](c1ccccc1)N1C(=O)[C@H]2CCCCN2C1=O 272062216 CMYGLBCVBPRWEK-HZPDHXFCSA-N 298.386 3.511 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 454826899 ZLOATAHGGDWFBZ-HNNXBMFYSA-N 294.345 3.847 30 20 CHED C=CCC1(C(=O)N2CCO[C@](C)(CC)C2)CCCCC1 451029989 WCRLDAXLZQSYCL-MRXNPFEDSA-N 279.424 3.541 30 20 CHED C=C(CC)CN1CCN(C2CCC(C(C)C)CC2)CC1 540202479 LICMUSAUXIJPSV-UHFFFAOYSA-N 278.484 3.785 30 20 CHED C=CCC1(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CCCC1 628112795 ZIIXBNHNEYKGKS-GVDBMIGSSA-N 281.399 3.577 30 20 CHED C=CCCc1noc(CCc2nc3ccccc3s2)n1 453247829 PAZIPVCTYFEPQC-UHFFFAOYSA-N 285.372 3.583 30 20 CHED CC(C)(CCC#N)CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C 459774073 VKSICLCYONXXIG-KGLIPLIRSA-N 280.456 3.888 30 20 CHED N#CCSCCCN1CCCC[C@H]1c1ccccc1 273839780 JDNZJNBEGUDROV-INIZCTEOSA-N 274.433 3.860 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCCCCC#N 362555288 HPYZENOYLWQLLH-HUUCEWRRSA-N 284.403 3.786 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(C)(C)C 622943167 QQBMJGKOANXBME-CABCVRRESA-N 275.367 3.742 30 20 CHED Cc1ccc(CCCCC(=O)NCC(C)(C)CC#N)cc1 457990522 PNWZFQKBVKTPPK-UHFFFAOYSA-N 286.419 3.764 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)c(OC)c1)OCC 279514061 LAROMNKNUYGHTC-CYBMUJFWSA-N 297.782 3.658 30 20 CHED COCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(C)o1 272068511 BOWPYLFUKFZGEF-PBHICJAKSA-N 298.386 3.888 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 465228268 WVNWYJGJLOKMAY-IUCAKERBSA-N 287.190 3.928 30 20 CHED C[C@H](NCCCC#N)c1ccc(SC(F)F)cc1 271829148 WKZHPCAGGBDOJQ-JTQLQIEISA-N 270.348 3.956 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ccncc2)C1 289383008 QFZCGRPZNADOOT-DNVCBOLYSA-N 291.398 3.894 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)c1cccs1 620859112 WVCCZWGGAHGQPF-LLVKDONJSA-N 251.395 3.713 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](C)Cc2cccs2)n1 462905507 KPKJFYJWXYJVDB-NSHDSACASA-N 285.416 3.922 30 20 CHED C=CCCCCNC(=O)c1ccc(C(C)(C)C#N)cc1 281578733 MILIGFUKYXNFGF-UHFFFAOYSA-N 270.376 3.574 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC(CC(F)(F)F)CC2)n1 557687155 MEZHNAOULWIEIV-UHFFFAOYSA-N 297.324 3.739 30 20 CHED CC(C)(C#N)CCNc1ccc(OC(F)F)cc1F 288744133 PRTXATJSUXTMLZ-UHFFFAOYSA-N 272.270 3.779 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 468530694 UHPLTLSHKXRXQD-QMTHXVAHSA-N 296.361 3.926 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2CCC[C@@H](C)C2)no1 288953261 PBLMOBGVQLQGAH-AAVRWANBSA-N 276.380 3.812 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc(Br)c(C)c1 285677734 NKWNJBGAGSXYPX-ZDUSSCGKSA-N 296.164 3.603 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1c(Cl)cccc1C#N 462816186 ZXXRRGPQFSHQEB-ZYHUDNBSSA-N 264.756 3.581 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cc(F)ccc1SC 466787229 GKDIEMAIHURNQN-UHFFFAOYSA-N 296.411 3.655 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1cccc2ccccc12 465217846 SLRKJAISRVOVHT-QWHCGFSZSA-N 268.360 3.775 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@H]1c1ccc[nH]1 287778130 ADQCCLZWMVQCNG-INIZCTEOSA-N 289.423 3.998 30 20 CHED N#Cc1ccc(Cl)cc1OCCOc1ccccc1F 474340711 ZCNLHUFJDWNNEA-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 478967255 UYPKWJIPOYILAP-CYBMUJFWSA-N 281.321 3.931 30 20 CHED C[C@@H](OC(=O)C1(C(F)(F)F)CCC1)c1ccc(C#N)cc1 297392775 MWRWSFQZNIWELH-SNVBAGLBSA-N 297.276 3.895 30 20 CHED C=C(C)CN(CC)C(=O)c1cnc2c(F)ccc(F)c2c1 294175490 SEWQMJKXHYEWGM-UHFFFAOYSA-N 290.313 3.551 30 20 CHED CSc1ccccc1CN(C)[C@H]1CC[C@H](C#N)C1 294076864 KZZJCHTXVMUTKJ-JSGCOSHPSA-N 260.406 3.533 30 20 CHED CC(C)CC1(CNC(=O)Cc2ccc(C#N)cc2)CCCC1 388220073 WTQIGIKMNDVFAM-UHFFFAOYSA-N 298.430 3.823 30 20 CHED N#C[C@@H]1CC[C@@H](SCc2ccc([N+](=O)[O-])cc2)C1 295961595 JMYPAQRRJIOIHB-DGCLKSJQSA-N 262.334 3.520 30 20 CHED C#C[C@H](NC(=O)/C(=C\C)CC)c1ccc(Cl)cc1F 804423245 JWARWBRAOJOBQZ-IUZNHRGFSA-N 279.742 3.626 30 20 CHED Cc1nc2c(C(=O)OCC3(C#N)CCCCC3)cccc2o1 805913320 ZHSNSBIWSKPMRJ-UHFFFAOYSA-N 298.342 3.767 30 20 CHED CCC(C)(C)NC(=O)[C@@H](C)Sc1ccc(C#N)c(C)c1 564960515 IDSIEFWAGQZJPJ-GFCCVEGCSA-N 290.432 3.652 30 20 CHED O=C1/C(=C\c2ccccc2)C[C@@H](C(=O)O)c2ccccc21 806560453 MBYUYMOLPJHROE-IVOILVROSA-N 278.307 3.525 30 20 CHED COc1cccc(C(C)=NNc2ccc([N+](=O)[O-])cc2C)c1 807989682 PGYOQBCBPCWNOO-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C#Cc1cc(F)c(NCc2cc(F)cc(F)c2)c(F)c1 802745589 FLBWSTMSEJQNCE-UHFFFAOYSA-N 279.236 3.836 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC1(Cc3ccccc3)CC1)CC2 563658168 SMIFKPYJBWDJEV-LJQANCHMSA-N 288.394 3.910 30 20 CHED CCCc1nc(C)c(CNc2cc(C(C)=O)ccc2C#N)o1 292443750 YOEJUPCDBHEJRE-UHFFFAOYSA-N 297.358 3.622 30 20 CHED C#CC[C@H](NC1CCC(COC)CC1)c1ccccc1 295627481 HHQNUPCVIXYGSL-VJFUWPCTSA-N 271.404 3.546 30 20 CHED C#C[C@H](NC(=O)N(C)C/C(C)=C/c1ccccc1)C(C)(C)C 808317122 NCMRDWNQYAWMKY-VOGRQWBCSA-N 298.430 3.779 30 20 CHED N#Cc1sc(N[C@@H]2CCc3ccc(F)cc32)nc1Cl 804440249 AXXHKBUTLIWVFB-SNVBAGLBSA-N 293.754 3.907 30 20 CHED C=CCN(Cc1csc(CC)n1)c1ccccc1 472614372 RCRVPQPJQSNXSI-UHFFFAOYSA-N 258.390 3.898 30 20 CHED Cc1cc(CNc2ccccc2SC[C@H](C)C#N)on1 290536505 HWHLPSBBPZDRAN-LLVKDONJSA-N 287.388 3.847 30 20 CHED N#Cc1ccc(CNCC(F)(F)c2ccccc2)c(F)c1 562083413 UFMYDCDOTJWLDC-UHFFFAOYSA-N 290.288 3.579 30 20 CHED COc1cccc(C=C2CCN([C@@H](C)CCC#N)CC2)c1 298631318 OREHJNJAJDBMRT-HNNXBMFYSA-N 284.403 3.867 30 20 CHED C=CCOCCCC(=O)Nc1ccc(CC)c(Cl)c1 561327375 SVJXMNMDJUUPFP-UHFFFAOYSA-N 281.783 3.824 30 20 CHED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCC#N 298904540 MSOSNMWUBKNYDN-SNVBAGLBSA-N 289.379 3.822 30 20 CHED C#C[C@H](NCc1ccc(OC(F)F)c(F)c1)C(C)(C)C 809781411 QSZVWCPRDSTCHU-ZDUSSCGKSA-N 285.309 3.565 30 20 CHED C[C@H](COc1ccc(Cl)c(Cl)c1)NCCCC#N 294910847 AZCJCJJQWKUFBP-SNVBAGLBSA-N 287.190 3.654 30 20 CHED C=CC(C)(C)CNCc1nc(C(C)C)n2ccccc12 565084169 RKBHDIOMLIIRIF-UHFFFAOYSA-N 271.408 3.760 30 20 CHED C[C@@H](C#N)OCCN1CCCc2cc(C(C)(C)C)ccc21 801936409 SYXOQKLCQMIASQ-AWEZNQCLSA-N 286.419 3.665 30 20 CHED Cc1cc(C(=O)N[C@H](C)CC#N)sc1-c1ccccc1 565606044 DSLZILDGSCXOIX-GFCCVEGCSA-N 284.384 3.756 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(OC)c(C2CC2)c1 488814890 KCILDONWXSOHAZ-HNNXBMFYSA-N 285.387 3.753 30 20 CHED CCN(Cc1ccc(Cl)cc1)Cc1ccc(C#N)cn1 566417916 VYXXAAKZJZAURI-UHFFFAOYSA-N 285.778 3.629 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccc(C(C)(C)C)cc1 814933788 ZUVKAGDTJMJATL-UHFFFAOYSA-N 281.346 3.812 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(CN)cc2F)no1 817865255 WEVWLMVNDHPZEH-UHFFFAOYSA-N 287.338 3.570 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 488751561 WCQACZZLTIWZIW-CABCVRRESA-N 282.387 3.596 30 20 CHED CC[C@]1(C)CCN(Cc2ccc(Cl)cc2C#N)C1 480598969 BZQUNVGHTAXUIA-OAHLLOKOSA-N 262.784 3.834 30 20 CHED C#CCN(C)C(=O)N[C@H](CCCCC)c1ccccc1 812025739 CHRKURCGRNBITB-MRXNPFEDSA-N 272.392 3.583 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(C)C1(C#N)CCC1 489731967 CCQFKIOAORTVMA-GJZGRUSLSA-N 296.414 3.881 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H]1CCC[C@H]1C#N 480255330 BMBXXKUYNBQNCP-HRCADAONSA-N 276.424 3.647 30 20 CHED CC#CCCNC(=O)N[C@H](CCC)CCc1ccccc1 483091362 SCJQTHUPUBPGEW-QGZVFWFLSA-N 286.419 3.501 30 20 CHED CCCCC/C(C=NNc1cnnn1C)=C\c1ccccc1 814983156 AWZIEJNEISAJHL-YPJNNFJUSA-N 297.406 3.877 30 20 CHED C#CCN(C)C(=O)N[C@H](CC1CCCC1)c1ccccc1 812176685 IQWWIVXVHAXVPW-QGZVFWFLSA-N 284.403 3.583 30 20 CHED N#CCCNCCCCCCOc1ccc(Cl)cc1 819236087 CMNYLUDJPRTGEE-UHFFFAOYSA-N 280.799 3.782 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(-n2ccnc2)cc1C 489511494 NDIXYQOKWARSQB-QGZVFWFLSA-N 281.403 3.721 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(NCC(F)(F)F)c1 816426340 FHKMBKOSLYHYJP-UHFFFAOYSA-N 298.308 3.649 30 20 CHED CCOc1ccc(NN=C(C)c2scnc2C)cc1 814983534 LZKVKSXODLCFNX-UHFFFAOYSA-N 275.377 3.686 30 20 CHED C=CCCCCCCNC(=O)[C@H](O)c1ccc(Cl)cc1 813611792 DZZIUDUZCFLJRA-OAHLLOKOSA-N 295.810 3.626 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccccc1NCCC 813513338 DBJMFOHRKWCGHL-UHFFFAOYSA-N 292.382 3.671 30 20 CHED C#CCON=C(C)CCc1ccc(OCC=C(C)C)cc1 812233505 UKWGBAOPIIQTGZ-UHFFFAOYSA-N 285.387 3.990 30 20 CHED C[C@H](C(=O)OCCCC#N)c1c(Cl)cccc1Cl 726029049 NTTFITFIKWGCPN-VIFPVBQESA-N 286.158 3.944 30 20 CHED N#Cc1ccc(NC(=O)/C=C\Sc2ccccc2)cc1F 813259265 ZNKCGSGVTUNMCH-HJWRWDBZSA-N 298.342 3.942 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC2(CC1)CC2(F)F 651011019 FUUPFNHGEJPBJM-GFCCVEGCSA-N 286.366 3.562 30 20 CHED Cc1ccc([C@]2(C)CCN([C@H]3CC[C@@H](C#N)C3)C2)cc1 578848008 XAUJRXAZUSRHTP-BPQIPLTHSA-N 268.404 3.651 30 20 CHED C[C@H]1CC(CCNc2ccc(C#N)cc2F)C[C@H](C)O1 578028800 CHDVPOOMZJNNLP-RYUDHWBXSA-N 276.355 3.703 30 20 CHED C=CCN(C(=O)Nc1cccc2c1ccn2C)C(C)C 727032367 QTKYTHKRRMMNCY-UHFFFAOYSA-N 271.364 3.607 30 20 CHED CCCCCCOC(=O)CSc1ccc(C#N)cc1 728676539 WBMDKJKGMGWWQJ-UHFFFAOYSA-N 277.389 3.774 30 20 CHED CCn1nc(C)c(/C=C2/Cc3cc(C)ccc3C2=O)c1C 727973973 CVXRZMNDLGOAJG-GDNBJRDFSA-N 280.371 3.651 30 20 CHED C=CCCC(=O)OCc1csc(C2CCCC2)n1 726651254 YFGOFWHVKZUVEW-UHFFFAOYSA-N 265.378 3.810 30 20 CHED C=CCCOCCNC(=O)Nc1ccc(CC)c(Cl)c1 490817765 YVJVEBAVZKZONH-UHFFFAOYSA-N 296.798 3.617 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 498264680 RDMQUSQKSCPQIE-AESZEHBQSA-N 299.414 3.806 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@]1(C)CCCc2ccccc21 497765456 GQZIFIHCRRMLHL-LJQANCHMSA-N 285.431 3.999 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C(C)(C)C)s2)C1 664252987 GWBPFUDUQMNTHD-NSHDSACASA-N 265.426 3.628 30 20 CHED CCc1ccc([C@H](C)C(=O)Oc2ccc(C#N)cc2)cc1 727704079 CAKABNFHVVTHLA-ZDUSSCGKSA-N 279.339 3.830 30 20 CHED C=CC1CCN(C(=O)c2ccccc2C(C)C)CC1 827190357 UYGRQDTXRAPUSP-UHFFFAOYSA-N 257.377 3.848 30 20 CHED C=CCC[C@H](NC(=O)/C=C(\C)Cl)c1ccccc1 901150450 SEFPXIGFEKAGOD-GETOMWPZSA-N 263.768 3.953 30 20 CHED CN(C)c1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1Cl 903353680 GKLLUACPKGPTCM-GHMZBOCLSA-N 263.772 3.510 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ncc(CC)s2)C1 666208395 NGMARBSBSINMJL-NSHDSACASA-N 279.409 3.526 30 20 CHED C#CCN(C(=O)c1oc(C(C)C)nc1C)C1CCCCC1 491774964 UMAZZNJHZXGXLD-UHFFFAOYSA-N 288.391 3.515 30 20 CHED C#Cc1cccc(N(CC)C(=O)CO[C@@H]2CCCC[C@@H]2C)c1 733105230 WLRCIRNOLMQOCS-MAUKXSAKSA-N 299.414 3.616 30 20 CHED C[C@H](CC(=O)OCc1ccccc1C#N)c1cccc(F)c1 734906895 SGTRPGNOLGXSMV-CYBMUJFWSA-N 297.329 3.934 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)C2 730948834 MOIONIHVYNKEOR-NTEUORMPSA-N 252.288 3.957 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2ccsc2C#N)CC1 906703378 PRBBMLDGQUDPOE-LBPRGKRZSA-N 276.405 3.518 30 20 CHED c1ccc2c(=NN=C3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)cc[nH]c2c1 730148348 RFTJFAUJHNDDFV-CTASWTNQSA-N 291.398 3.881 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(OCC)ccc1Cl 836794946 YINWCUDTGZZUGX-UHFFFAOYSA-N 289.709 3.889 30 20 CHED CCOCCC1(CN[C@H](CC)c2cccc(C#N)c2)CC1 902886365 NFUYEFFWJSSUDF-QGZVFWFLSA-N 286.419 3.806 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1cccc(C2CC2)c1 834444491 FGUUSOPIPMKRHY-CMDGGOBGSA-N 266.344 3.502 30 20 CHED CC[C@H](SC)C(=O)Nc1cc2ccccc2cc1C#N 839434767 GSXLOAZEUUVRQY-HNNXBMFYSA-N 284.384 3.792 30 20 CHED CS[C@@H]1CCCC(=NNc2ccc(Cl)nc2)C1 901194701 NJYPNIIJPSGETB-LLVKDONJSA-N 269.801 3.809 30 20 CHED C#CCN(C(=O)c1cnc2ccccc2c1)C1CCCCC1 837372404 GXASEXPMVGKQOY-UHFFFAOYSA-N 292.382 3.643 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc2cc(OC)ccc2[nH]1 907689364 RELHDEUMLCLZDW-UHFFFAOYSA-N 272.348 3.717 30 20 CHED C#CCN(Cc1ncc(C(C)C)o1)[C@@H]1CCc2ccccc21 733306813 HBSKLFMXQNRXQH-QGZVFWFLSA-N 294.398 3.921 30 20 CHED CC1(C)CCC(=NNc2nc3ccccc3[nH]2)CC1 735971173 QFWQLATZESADIE-UHFFFAOYSA-N 256.353 3.931 30 20 CHED CC(C)(C(=O)[C@@H](C#N)c1cnc2ccccc2n1)C1CCC1 835348239 LWRNTVDTIOBYOH-ZDUSSCGKSA-N 293.370 3.632 30 20 CHED CCn1nc(C)c(C=NNc2c(C)cccc2Cl)c1C 835012442 ZPNOZLMCDKQDIA-UHFFFAOYSA-N 290.798 3.928 30 20 CHED CC(C)Oc1ccccc1C(=O)OCc1ccc(C#N)cc1 730051459 ZMYKOZWJCNNAKU-UHFFFAOYSA-N 295.338 3.702 30 20 CHED C=C(CNC(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccccc1 832024774 GHCIAENUXVMKBA-AWEZNQCLSA-N 298.213 3.790 30 20 CHED C=CC[C@@H](NC(=O)Nc1ccccc1C)c1ccncc1 734677953 BMIWPJGHHRSKHO-MRXNPFEDSA-N 281.359 3.829 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1ncccc1Br 838866956 YOLGURPVIWZMAW-ZDUSSCGKSA-N 298.180 3.603 30 20 CHED C=CC(C)(C)COC(=O)c1cccc([C@H]2CCOC2)c1 835723396 UYCJZJQLLFDXKO-HNNXBMFYSA-N 274.360 3.560 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1O 915113044 MACFBDYGLCYGAX-HWSBYKFUSA-N 276.336 3.688 30 20 CHED CC(C)CNN=Cc1ccc(-c2ccccc2F)o1 917029244 YHAIVIJRSZEPPK-UHFFFAOYSA-N 260.312 3.665 30 20 CHED C=C(Cl)CNC(=O)CSc1ccc2ccccc2c1 736245924 GVHQSICPAGIIQZ-UHFFFAOYSA-N 291.803 3.801 30 20 CHED C=CCN(Cc1nnc(-c2cccc(Cl)c2)o1)C(C)C 730259073 PWVAMMRJYFGEPY-UHFFFAOYSA-N 291.782 3.786 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H]1CCSc2ccccc21 839039547 QLOPFMTWABULAG-TZMCWYRMSA-N 274.385 3.611 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cnc3ccc(F)cc3c2)C1 839050500 BMJVVBVZTFRKGI-XHDPSFHLSA-N 298.317 3.613 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2ccncn2)cc1 835002358 PKGWEUPXRNPNCJ-AWEZNQCLSA-N 266.348 3.521 30 20 CHED CSCc1ccc(NC(=O)C#CC(C)(C)C)cc1 837392554 XOEHCEFWYJSDGP-UHFFFAOYSA-N 261.390 3.538 30 20 CHED C=C(C)COC(=O)c1ccccc1NC(=O)OC(C)(C)C 748337125 YWXGSXATOIUYDK-UHFFFAOYSA-N 291.347 3.767 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)C2CCC2)n1 838812237 UWFPSPPSYHWDIS-ZYHUDNBSSA-N 276.405 3.879 30 20 CHED C=CC1CCN(Cc2noc(C3CCCCC3)n2)CC1 163405754 MKQAAECBENEQOL-UHFFFAOYSA-N 275.396 3.515 30 20 CHED Cc1ccc([C@H](C)C(=O)N[C@@H](CCC#N)c2ccccc2)o1 749034150 FYOFSCQLLRFBIK-HOCLYGCPSA-N 296.370 3.853 30 20 CHED CCCC(C)(C)C(=O)Nc1ccc(C#N)cc1Cl 593103760 WOKYOVBWNUQEIT-UHFFFAOYSA-N 264.756 3.976 30 20 CHED C[C@H](CC#N)N(C)Cc1coc(-c2ccc(Cl)cc2)n1 268280804 FWNLPKMSSPLBPZ-LLVKDONJSA-N 289.766 3.729 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc3nc(C(F)(F)F)oc3c2)C1 592524731 ZMZYOVYCZJMJSR-IUCAKERBSA-N 295.264 3.951 30 20 CHED C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@H]2CCCC[C@@H]12 597491653 HQEAANCYQNVRBT-PMPSAXMXSA-N 288.435 3.888 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)CCCO2 840784462 ABNKNLGUDSEABX-MRXNPFEDSA-N 286.419 3.992 30 20 CHED CCC[C@@H](NC(=O)CCCCCC#N)C1CCC1 590922307 SCTUBNQSKQVFFC-CQSZACIVSA-N 250.386 3.545 30 20 CHED C=CC[C@H](CC)NC(=O)c1snc(Cl)c1Cl 846064522 NMADRYSMZIHQJH-LURJTMIESA-N 279.192 3.534 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 673551577 KRHUXPVFBANETD-BFHYXJOUSA-N 266.429 3.807 30 20 CHED C=CCCCCC[C@H](C)NCc1cccc(C(=O)O)c1 840996638 FKBAZNFGFDCKKZ-AWEZNQCLSA-N 275.392 3.999 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(F)c(CC)c1)OCC 672112618 QTAWTFYKVYHVAC-OAHLLOKOSA-N 279.355 3.698 30 20 CHED N#CC1(CCOC(=O)c2cc(Cl)c[nH]2)CCCCC1 840193527 FCWOFDNGYDDDMG-UHFFFAOYSA-N 280.755 3.689 30 20 CHED COc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)cc1 592987566 XGKKECHXLZOOOL-UHFFFAOYSA-N 293.366 3.934 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)c1cccc(F)c1F 843268158 IHZZVGDDQRCEAE-VOTSOKGWSA-N 290.313 3.713 30 20 CHED CCCCCCCCN1CCC2(CC1)[C@@H](O)C[C@H]2OCC 741257770 XRMQRWWHLPFOPC-DLBZAZTESA-N 297.483 3.599 30 20 CHED C=C(C)CONC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 846538667 KRUZGAGJJKOLMB-IAGOWNOFSA-N 281.355 3.567 30 20 CHED CCCCCCC[C@@H](C)CNC(=N)N(CC)CC 849065576 PWPVKSWBDCXPBF-CQSZACIVSA-N 255.450 3.849 30 20 CHED CCCCNN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 915966336 QQGFIGFXBTWHKB-UHFFFAOYSA-N 287.319 3.578 30 20 CHED N#CC1(CNC(=O)c2coc3ccc(Cl)cc23)CCC1 593748017 VPNOTWZCXBZETM-UHFFFAOYSA-N 288.734 3.510 30 20 CHED CC[C@H](C#N)C(=O)N1CCCC[C@@H]1c1ccc(C)cc1 593485018 ULAWIOPUJWJWQA-GDBMZVCRSA-N 270.376 3.598 30 20 CHED CCCCCCCCC[S@@](=O)Cc1cc2n(n1)CCC2 844655590 MAEYXPBZYIJLAP-HXUWFJFHSA-N 296.480 3.829 30 20 CHED C=CC(C)(C)CN[C@H]1CCCc2cc(C#N)ccc21 590779387 JDHWFUQHPBQGEB-INIZCTEOSA-N 254.377 3.737 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2cc(F)ccc2Cl)C1 596724252 SZEBRPLJWKGSRX-SNVBAGLBSA-N 295.745 3.637 30 20 CHED C=CCSc1nccn1-c1ccc(Cl)cc1 673555562 CYANJFNFXWWCLR-UHFFFAOYSA-N 250.754 3.804 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N[C@@H](C#N)CC(C)C 592613907 BZBYYEHROCBVSC-LSDHHAIUSA-N 264.413 3.813 30 20 CHED CC(C)(C#N)CNC(=O)N[C@@H](C1CCCCC1)C1CCC1 592008660 KFVIHJBTYNNZNA-HNNXBMFYSA-N 291.439 3.584 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H](C)c1ccc(C)o1 742641256 DRKCKIHRESIQBJ-AWEZNQCLSA-N 290.407 3.870 30 20 CHED N#CCCCCCC(=O)N1CC[C@H](C2CCCCC2)C1 598152682 IHWLIEAORFHVJI-INIZCTEOSA-N 276.424 3.889 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)sc1C(=O)OC 598857079 USBXBYQFMLBQCF-UHFFFAOYSA-N 293.388 3.550 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1 591335548 CJZZCYJTSIZDDO-CKEIUWERSA-N 291.439 3.536 30 20 CHED C#CCOc1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 743274559 GROCFSVNBSFFJD-UHFFFAOYSA-N 294.285 3.555 30 20 CHED COc1ccc(O)c(/C=N\CC(C)(C)c2ccccc2)c1 914701591 MMRSGSFNIZHXGS-UNOMPAQXSA-N 283.371 3.798 30 20 CHED N#Cc1cccc(NC(=O)CCCCCc2cccs2)n1 592661654 LZOWHTXSIASLHE-UHFFFAOYSA-N 299.399 3.756 30 20 CHED CCCCCCCCNC(=N)NCC1CCC(C#N)CC1 849026539 INSBNHDZCJFVQE-UHFFFAOYSA-N 292.471 3.791 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C)nc1C(C)C)c1ccccc1 843639831 JZLVCWAHQNSWJH-QGZVFWFLSA-N 292.382 3.618 30 20 CHED C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](CC#N)C1 595613345 BILSIFOWJCOOED-STQMWFEESA-N 275.396 3.659 30 20 CHED C=C(Cl)CN1CCCC[C@@H]1c1nc2ccccc2n1C 749297688 LHBAVAPSCFYOHU-OAHLLOKOSA-N 289.810 3.853 30 20 CHED C=CCCSCCN[C@H](c1ccc(F)cn1)C(C)C 595059402 NPQYJRPYHLFWPV-HNNXBMFYSA-N 282.428 3.817 30 20 CHED CCCCCCCCNC(=O)CC[C@@H]1CCCCO1 754849697 JELGZCRSBILMPL-HNNXBMFYSA-N 269.429 3.812 30 20 CHED CCc1ccc([C@@H](NC(=O)[C@@H](C#N)CC)C(C)C)cc1 593395513 XWWNYRBVYREPEC-ZBFHGGJFSA-N 272.392 3.612 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](c2ccccn2)C2CC2)C1 925571923 GWHMYZAIKWPFMY-RHSMWYFYSA-N 299.418 3.530 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(C2CCCC2)c1 928798510 PNZIVIYALBNACD-UHFFFAOYSA-N 273.380 3.705 30 20 CHED COc1ccc2c(c1)C(=NNc1ccc(Cl)nc1)CC2 747633340 WKWSHCCYEDYNJI-UHFFFAOYSA-N 287.750 3.506 30 20 CHED C(=NO[C@H]1CCCCO1)c1ccccc1OC1CCCC1 755822890 WCUOZFNNOVFDNF-KRWDZBQOSA-N 289.375 3.885 30 20 CHED COc1ccc(/C=C2\Cc3c(F)cccc3C2=O)c(OC)c1 921266791 SLUDIFWERJNBII-XYOKQWHBSA-N 298.313 3.665 30 20 CHED CO[C@H](C=NNc1c(Cl)cccc1Cl)C1CC1 853318523 QDGMZGMDGHDUNI-LLVKDONJSA-N 273.163 3.816 30 20 CHED Cc1oc2ccccc2c1C=NO[C@H]1CCCCO1 758119812 OWQLGKQQJXKFFS-HNNXBMFYSA-N 259.305 3.618 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)CCc1cncs1 851141527 BAQPOEGKQYHJOC-GXTWGEPZSA-N 279.405 3.754 30 20 CHED C#CCCOc1ccc(C(=O)N2CCC[C@H](CC=C)C2)cc1 855437464 XJWQXZSXZFBFJH-INIZCTEOSA-N 297.398 3.517 30 20 CHED FC(F)CON=Cc1ccc(SC(F)(F)F)cc1 758910189 IRJDEGYHTXYZMB-UHFFFAOYSA-N 285.237 3.914 30 20 CHED C#CC[C@H](NC(=O)NCCCC(C)(C)C)c1ccccc1 757036779 WBWSFRBBBZOGJW-INIZCTEOSA-N 286.419 3.877 30 20 CHED C=CCCC(C)(C)NC(=O)C(F)(F)c1ccc(OC)cc1 856374066 KVZQOITVCYXQTL-UHFFFAOYSA-N 297.345 3.648 30 20 CHED CC(=NNc1cccc(Br)c1)C1CCOCC1 755891540 ANVZEBUJOSDQPP-UHFFFAOYSA-N 297.196 3.664 30 20 CHED C=C(C)CNc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C 921059338 UZEVPTTYPRTSRC-AWEZNQCLSA-N 286.419 3.855 30 20 CHED CCC(=NNc1cc(C)ccn1)c1ccc(OC)cc1 755900695 OHNAUARNFABTEL-UHFFFAOYSA-N 269.348 3.625 30 20 CHED C#CCCCC(=O)Oc1ccccc1Oc1ccccn1 758180143 XMFMXCWJOSGZSM-UHFFFAOYSA-N 281.311 3.583 30 20 CHED C[C@H](C(=O)OCc1cc(F)ccc1C#N)c1cccs1 759361226 HIYBEKTYSVLOIC-JTQLQIEISA-N 289.331 3.606 30 20 CHED N#Cc1cc(Cl)ccc1CN[C@H](c1ccncc1)C1CC1 934696344 GJENAVQCGMRLOS-KRWDZBQOSA-N 297.789 3.848 30 20 CHED C=C1CCN(C(=O)Nc2ccc(CSC)cc2)CC1 930151166 UVYDUCHKETUUNG-UHFFFAOYSA-N 276.405 3.734 30 20 CHED N#CCCCOC(=O)CCc1cccc2ccccc12 869859790 WCDIPEMDDUWDFA-UHFFFAOYSA-N 267.328 3.619 30 20 CHED OCCCCCCON=Cc1ccccc1C(F)(F)F 762456370 CTYWSXNJEAIXTH-UHFFFAOYSA-N 289.297 3.609 30 20 CHED C[C@H]1CCCC[C@@H]1N1CCC(=NOCC(F)(F)F)CC1 764836104 PTZWNTXCJPGNPQ-AAEUAGOBSA-N 292.345 3.596 30 20 CHED Fc1ccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)c(F)c1 762408173 AXSFWDGVWRKEIV-DCAQKATOSA-N 250.292 3.799 30 20 CHED CC(=C/c1ccccc1)/C=C1\CCc2nc(O)ccc2C1=O 768842135 RKYXNEBEJXAWDV-OWTZWGKBSA-N 291.350 3.946 30 20 CHED COc1cc(OC(=O)c2cc3occc3s2)ccc1C#N 767159560 RRHWOEPXVCHREG-UHFFFAOYSA-N 299.307 3.594 30 20 CHED C#CCCCON=Cc1ccc(OCCCC)c(OC)c1 766744342 VQEDBKIZJFKKSG-UHFFFAOYSA-N 289.375 3.638 30 20 CHED C=CCC1(N[C@H]2CCc3cccnc3CC2)CCCC1 865629727 NUWBAWIMLNVAAE-INIZCTEOSA-N 270.420 3.808 30 20 CHED N#Cc1ccc(CNN=C(Cc2ccccc2)C(F)F)cc1 769583786 FZBGEICBUFWXSN-UHFFFAOYSA-N 299.324 3.512 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cnc(CC(C)C)s2)c1 931879226 WNGSIPARAIMBAB-UHFFFAOYSA-N 298.411 3.600 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1c(F)cccc1F 860727748 GXUPAIWRFOTWPK-JTQLQIEISA-N 281.302 3.899 30 20 CHED C#CCCCC(=O)N[C@@H](CC)c1cc(C)ccc1C 863272623 HBOAGNUTQLNAFE-INIZCTEOSA-N 257.377 3.674 30 20 CHED CCC1(C(=O)Oc2ccc(C#N)cc2OC)CCCCC1 763373812 KYDXJOIVYHKAEF-UHFFFAOYSA-N 287.359 3.833 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1ccnc(O)c1 1116847274 FUGHAMFDDIGLGX-UHFFFAOYSA-N 275.739 3.585 30 20 CHED C#CCCc1noc(-c2cc(SC)ccc2Cl)n1 761999152 LRRUXVKTVKWFQS-UHFFFAOYSA-N 278.764 3.678 30 20 CHED O=C(/C=C\c1cnc(C2CCC2)s1)c1ccco1 769769549 AIPZHTLONXWATH-SREVYHEPSA-N 259.330 3.900 30 20 CHED CO[C@@H](C)C(C)=NNc1ccnc2cc(Cl)ccc12 763115820 FHWKGVNPCBJYOT-JTQLQIEISA-N 277.755 3.711 30 20 CHED C/C(=C\C(=O)N1CCCC(C)(C)[C@@H]1C#N)C(C)(C)C 765118909 HAWVPRATPRPSQR-XSNHNAGMSA-N 262.397 3.520 30 20 CHED N#Cc1ccc(CNN=C2CCC[C@H](C3CC3)C2)cc1 769815106 NHWGLVHJMMTNHA-INIZCTEOSA-N 267.376 3.604 30 20 CHED C=CCC1(C(=O)N2C[C@H]3CC=CC[C@H]3C2)CCCCC1 871523199 PQXBDHGRKRWZBU-IYBDPMFKSA-N 273.420 3.938 30 20 CHED C=CC(C)(C)CC(=O)NCCc1nc2ccccc2s1 877981392 QKJZBUJRUPMOCQ-UHFFFAOYSA-N 288.416 3.557 30 20 CHED Cc1nc(C(=O)O[C@H](C)c2ccc(C#N)cc2)sc1C 774124524 UGVAUZUNJCXGEM-SNVBAGLBSA-N 286.356 3.550 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 878417860 GSSNTUPCTWELQW-ZBFHGGJFSA-N 287.403 3.577 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)CC#Cc1ccccc1 1116269236 HDRYVLBZNBTZDU-LJQANCHMSA-N 291.394 3.566 30 20 CHED CCOCCON=C(CC)c1ccc(Cl)cc1 774433795 KZLHBAKOXGFPJD-UHFFFAOYSA-N 255.745 3.507 30 20 CHED CC(=O)N(C)c1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 777581487 WDAQSQANQWUBER-CYBMUJFWSA-N 293.370 3.714 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1cc(C)ccc1O 776190685 XXCUINXMVVQCTE-NTMALXAHSA-N 298.338 3.614 30 20 CHED C#CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 776169560 HCFRDZYWZRRWTL-BEFAXECRSA-N 274.367 3.973 30 20 CHED C#CC[C@@H](N[C@H](CC)C1CCOCC1)c1ccccc1 773115767 OWGNSNQFAIUBRY-QZTJIDSGSA-N 271.404 3.546 30 20 CHED CC(=NOCCC(F)(F)F)c1cccc(F)c1F 777458853 DYGRVSARKCVNIC-UHFFFAOYSA-N 267.197 3.658 30 20 CHED Clc1ccc2c(c1Cl)CCC2=NN=c1cc[nH]cc1 779809861 WDTZAQSDFURMMX-UHFFFAOYSA-N 292.169 3.573 30 20 CHED c1nc(NN=C2CC3(CCC3)C2)c2c3c(sc2n1)CCC3 772836864 JFYRMFOYTWJIHR-UHFFFAOYSA-N 298.415 3.912 30 20 CHED Cc1ccc([C@@H](C)C(=O)OCc2ccc(CC#N)cc2)o1 776114500 PVSLRCPLZLTUEF-CYBMUJFWSA-N 283.327 3.501 30 20 CHED COc1ccc2oc(C(C)=NNCC(C)C)c(C)c2c1 771560296 FHRIEXWTTYYRFG-UHFFFAOYSA-N 274.364 3.719 30 20 CHED C=C1CCC(C(=O)N2CCC(Nc3ccccc3)CC2)CC1 1119452594 NGJOHFCNMCOGHQ-UHFFFAOYSA-N 298.430 3.836 30 20 CHED N#Cc1cccc(COC(=O)c2ccc(Cl)cc2)c1F 774888489 ZTGBJWPVGBNYDS-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=CCNC(=S)N[C@H](CC1CCC1)c1ccccc1 777923164 OHJDZRZHJNVOEC-OAHLLOKOSA-N 274.433 3.568 30 20 CHED C=CC(C)(C)CC(=O)N1Cc2ccccc2C[C@H]1C 889210483 LVYDSJVWCHUSCQ-CYBMUJFWSA-N 257.377 3.562 30 20 CHED C=C1CCC(C(=O)N[C@H](CC)c2c(C)noc2C)CC1 889728560 AKKDFGVBCWDPBX-CQSZACIVSA-N 276.380 3.605 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)CC1 888357451 GWFAFWAGLIFWDC-LBPRGKRZSA-N 289.354 3.741 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C\c1ccsc1 782119627 LVOYFUQREYMTIZ-PLNGDYQASA-N 263.362 3.634 30 20 CHED C=C1CCC(C(=O)OCc2nc(C3CC3)cs2)CC1 885652153 OTQBJRYODDURRE-UHFFFAOYSA-N 277.389 3.810 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@@H]1CCC=CO1 780150550 WSMMITYWHLFWPG-HIXWQLQUSA-N 267.328 3.657 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)nc2)c(Cl)c1 788360432 KKESFENIIVXIEU-DJWKRKHSSA-N 286.693 3.642 30 20 CHED C[C@H](Cc1ccsc1)Nc1ccc(F)cc1OCC#N 783589607 NRVJYQSFXIFVGG-LLVKDONJSA-N 290.363 3.833 30 20 CHED C[C@H](C(=O)Nc1cc2ccccc2cc1C#N)C(F)(F)F 1129796150 LZOLEKHGLFUTFI-SECBINFHSA-N 292.260 3.848 30 20 CHED C#CCCCCCC(=O)Nc1cc(-c2cccs2)[nH]n1 780400224 SNLZQVKRGKNBJO-UHFFFAOYSA-N 287.388 3.660 30 20 CHED CCCCS[C@H](C)C(=O)OCc1cccc(C#N)c1F 785747725 CSXOJFWCBQOSPF-LLVKDONJSA-N 295.379 3.662 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@]1(CC)CO 784725114 PSFWEVJLUWMJTC-INIZCTEOSA-N 269.429 3.501 30 20 CHED CC[C@@H](C#N)OC(=O)CCOc1cc(C)ccc1C(C)C 780423447 PZNJGSUJTRLDAL-AWEZNQCLSA-N 289.375 3.733 30 20 CHED CCc1ccccc1NCc1ccc(F)c(C#N)c1 83399085 AULZMZGVTYEOGH-UHFFFAOYSA-N 254.308 3.872 30 20 CHED Oc1ccccc1/C=N\C[C@H]1CCCN(c2ccccc2)C1 788320526 OHTDMBUKJLIUJF-ZHTGWBIJSA-N 294.398 3.728 30 20 CHED C[C@@H](C#N)COC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 892867709 IPYIPBINQSNFGC-JTQLQIEISA-N 299.292 3.686 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2sc(C)nc2c1 781507976 OOAFOTHPTHJQIC-UHFFFAOYSA-N 275.377 3.645 30 20 CHED COc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1F 784128597 PRLSKWDEZMEYNI-UHFFFAOYSA-N 298.361 3.532 30 20 CHED COc1ccc([S@](=O)CCCCC2(C#N)CCC2)cc1 899276106 KVVLIBFCCKEMKQ-HXUWFJFHSA-N 291.416 3.667 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1 784748182 RDZGSORIAQEMKL-RDTXWAMCSA-N 284.403 3.966 30 20 CHED C=C1CCC(C(=O)N2CC[C@H]2c2ccc(F)cc2)CC1 898677509 QKOPARAHCOISHH-INIZCTEOSA-N 273.351 3.846 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1scnc1C1CC1)C2 782340922 HDBXIIGTXUTFMS-KPKJPENVSA-N 297.379 3.852 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc(C)c1 187519296 ICPJRSZNDZVRJN-UHFFFAOYSA-N 258.365 3.540 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1ccc(F)cc1 899336303 RWFDQBBRMJLBKO-WTKPLQERSA-N 270.307 3.643 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 303804329 HJBPPWBFPTVUQL-DOMZBBRYSA-N 271.364 3.649 30 20 CHED CCCCCCC[C@H](C)NC[C@@H]1CCCN(C)C1 105935875 ILEIBJKSHIMRSS-HOTGVXAUSA-N 254.462 3.667 30 20 CHED C=CCCCOC(=O)[C@H](C)[C@@H]1OCCc2sccc21 796494215 LXPYWXXURMJCMR-RISCZKNCSA-N 280.389 3.507 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@@H](C)CCCCC)CC1 899590292 VOFWMXHJMXOPGH-HNNXBMFYSA-N 281.440 3.523 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(C(F)F)cc2)cc1 794449516 XKXFSJZYGHPRBC-UHFFFAOYSA-N 290.269 3.768 30 20 CHED Cc1nsc(C)c1C(=O)O[C@H](C)c1ccc(C#N)cc1 795949386 UQPCNPUKIMUXRC-SNVBAGLBSA-N 286.356 3.550 30 20 CHED CCCCCCCC(=O)Nc1cccc(CNC)c1 59366278 AYDXCYVOIQRPPZ-UHFFFAOYSA-N 262.397 3.705 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1ccc(C(F)F)cc1)C2=O 794962768 WSXAWHDWELYRRH-XYOKQWHBSA-N 288.297 3.570 30 20 CHED Cc1cc(C=NN[C@H](C)C(C)(C)C)cc2cccnc12 793112726 VRCMVNQMQBKJLZ-CYBMUJFWSA-N 269.392 3.901 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)CC(C)(C)C1 570152541 WZSOEYSQKMQLJZ-AWEZNQCLSA-N 256.393 3.621 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H]1CCCC[C@H]1CC 793857208 GPIQBMSCIXCFBC-CABCVRRESA-N 285.387 3.854 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCC(F)(F)C1 797556201 NAJOTBBPKPRAPV-LBPRGKRZSA-N 261.356 3.899 30 20 CHED C=C(CC)COC(=O)[C@@H](C)[C@H]1OCCc2sccc21 796490422 IKULZUKERHTIAD-SMDDNHRTSA-N 280.389 3.507 30 20 CHED C#CCC1(C(=O)N(C)[C@@H]2CCC(C)(C)C2)CCCCC1 794277999 XPPAOILAQWXLNV-OAHLLOKOSA-N 275.436 3.997 30 20 CHED COCCN(C)N=Cc1cccc(-c2ccc(C)cc2)c1 794966157 MIHSKBVJDYPBCW-UHFFFAOYSA-N 282.387 3.574 30 20 CHED C#Cc1cccc(N(CC)Cc2ccccc2C#N)c1 728574702 MHIKMMMLUCFISM-UHFFFAOYSA-N 260.340 3.566 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC(F)(F)C1 695713230 LAEDSODWDKNCLI-QMMMGPOBSA-N 284.693 3.586 30 20 CHED Clc1ccc([C@@H]2CCCCCC2=Nn2cnnc2)cc1 794857732 WYXRGJBOUXVXJC-AWEZNQCLSA-N 288.782 3.884 30 20 CHED C[C@@H](CC(=O)NCc1ccc(C#N)c(F)c1)c1ccccc1 1144429888 HTTKEZGSBOJVIK-ZDUSSCGKSA-N 296.345 3.507 30 20 CHED Cc1cccc(C)c1CNc1cccc(OCC#N)c1 96810990 RAKIOHYNSJLGFD-UHFFFAOYSA-N 266.344 3.818 30 20 CHED Cc1nsc(NCC[C@@H]2CCCC[C@H]2C)c1C#N 1162516103 YDTBEQYTSCOSEI-PWSUYJOCSA-N 263.410 3.952 30 20 CHED CC1(C#N)CCC(NCCCCOc2ccccc2)CC1 1173593269 LIABHMNWQNSMQH-UHFFFAOYSA-N 286.419 3.908 30 20 CHED CC#CCOC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1318817695 FGFIRKJRIYISQG-PLNGDYQASA-N 269.127 3.573 30 20 CHED CN(C)c1ncccc1/C=C/C(=O)c1cccc(C2CC2)c1 1324543870 VWZAPASGAYSXSQ-ZHACJKMWSA-N 292.382 3.921 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)[C@H]1CCCC[C@H]1C 1324601527 KLQVZKQGDNVNAL-VKJFTORMSA-N 286.419 3.893 30 20 CHED C=CCC1(C(=O)OCc2ccc(F)cc2[N+](=O)[O-])CCC1 1327110612 UZHIXWIFANTJEX-UHFFFAOYSA-N 293.294 3.524 30 20 CHED CSc1ccccc1C(C)=NNc1nccnc1Cl 1327031384 MTCMCWXGAPRPNM-UHFFFAOYSA-N 292.795 3.688 30 20 CHED Cc1cc(C)c(CCNc2ccc(C#N)c(C)n2)c(C)c1 1185889690 ZLCGTQGFRWFXGG-UHFFFAOYSA-N 279.387 3.842 30 20 CHED CCCn1c(C(=O)N(CC)[C@H](C#N)CC)cc2ccccc21 1338328197 KATPAXJVYAFWSP-HNNXBMFYSA-N 297.402 3.816 30 20 CHED COC[C@H]1CCCCN(CCCCC2(C#N)CCC2)C1 1334794677 VBAINMDYMCHMOJ-INIZCTEOSA-N 278.440 3.599 30 20 CHED CN(Cc1ccc(C#N)cc1OC(F)F)C1CC(C)(C)C1 1195002996 ZHYJOPPNNPHMBK-UHFFFAOYSA-N 294.345 3.780 30 20 CHED CCC[C@@H]1CCCCN1Cc1cc(C#N)ccc1OC 213529139 LZSKJALAQKYRPB-MRXNPFEDSA-N 272.392 3.721 30 20 CHED C[C@]1(C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H]2CC[C@H]1C2 1264297370 DMEJMRVVSKOMNC-PKWAYOAASA-N 288.778 3.976 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1c2ccccc2CC[C@@H]1C 1348431501 SZRCYQHSPCRBCD-AWEZNQCLSA-N 290.366 3.848 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1ccnc(C)n1 1343634752 MVXQMTZPIPYLCA-UHFFFAOYSA-N 274.755 3.583 30 20 CHED CC1(C)CCCN(CCCCC2(C#N)CCC2)[C@@H]1C#N 1351411879 RDTVAHCSVZWYSM-OAHLLOKOSA-N 273.424 3.865 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccccc2OC(C)C)c1 1275797143 RIFYIQOIBOCGKF-UHFFFAOYSA-N 294.354 3.906 30 20 CHED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1C[C@@H]1F 1350885944 YJRVSOUHXIDFPO-RYUDHWBXSA-N 286.331 3.583 30 20 CHED Cc1ccc(N(C)Cc2cccc(C#N)c2F)cc1 223528650 ZDSVZDDXJTVJFX-UHFFFAOYSA-N 254.308 3.642 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CC1(C)C 1536677601 XZRUBKVPTITPIO-TZMCWYRMSA-N 290.794 3.766 30 20 CHED O=C(O)/C=C/c1ccc(/C=C\C(=O)C2CCCCC2)o1 1601877714 TZJACFYILUGDSU-PNQPDEHRSA-N 274.316 3.540 30 20 CHED O=C(O)c1cccc(NN=C2CCC[C@H]2CCCF)c1F 1608935814 JHBKQPJQFBQGAR-JTQLQIEISA-N 296.317 3.842 30 20 CHED Cc1cccc2c1N(C(=O)Nc1ccc(F)cc1C#N)CC2 1476233276 YXRDEBIFLFFSSQ-UHFFFAOYSA-N 295.317 3.600 30 20 CHED COc1cc(COc2ccc(C#N)c(F)c2)ccc1Cl 1472990043 KYRXPAHZEZPZRP-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC(C)N(C(=O)c1ccc(CC#N)cc1)c1cccc(F)c1 1618284005 AIULXWBZEKIGSC-UHFFFAOYSA-N 296.345 3.947 30 20 CHED CCN(Cc1c(C)c(C)c(C)c(C)c1C)[C@@H](C)C#N 1473669798 VDXLYIORPPSDEY-NSHDSACASA-N 258.409 3.963 30 20 CHED C[C@H](Nc1cncc(C#N)n1)c1cc2ccccc2s1 1472759005 DIZDWNUGGQPQSN-JTQLQIEISA-N 280.356 3.736 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(CC)CC(C)C 1705747794 VPBHVDCUGGPMJK-UHFFFAOYSA-N 284.835 3.636 30 20 CHED Cc1ccc(C#N)c(Sc2ccc(C#N)c(C)c2)n1 1640060833 OIABGUQPGJSPCR-UHFFFAOYSA-N 265.341 3.593 30 20 CHED Cc1nccn1CCSc1ccc(Cl)cc1C#N 1643747074 ZXEKAOKYVXPLJY-UHFFFAOYSA-N 277.780 3.509 30 20 CHED CC[C@@H](Nc1cc(C#N)nc(C)n1)c1ccc(C)cc1 1651580143 DSOWSKPGAYJKAI-OAHLLOKOSA-N 266.348 3.528 30 20 CHED Cc1ccc2ncc(C#N)c(OCCC(C)C)c2c1 1652855683 GVMJMCBWCBLRLS-UHFFFAOYSA-N 254.333 3.840 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccsc2C#N)CC1 1585597281 PUUIAUICZRNUFP-CHWSQXEVSA-N 290.432 3.954 30 20 CHED Cc1cccc(N(C)C(=O)Nc2ccc(F)c(C#N)c2)c1C 1668716243 LVRKSNNKNGLPPB-UHFFFAOYSA-N 297.333 3.983 30 20 CHED C=C[C@@H](S[C@@H](C)c1ccc(Cl)cc1)C(=O)O 1588715351 WNPSAFDDIXKKQK-GZMMTYOYSA-N 256.754 3.773 30 20 CHED COCC1(CN2CCC(c3ccc(C#N)cc3)CC2)CCC1 1660381439 GIMMQBIJXONEBZ-UHFFFAOYSA-N 298.430 3.554 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cccc(C3CC3)c2)c1 1596936986 VZXNACQHAGSKAI-UHFFFAOYSA-N 280.302 3.827 30 20 CHED CCCc1ccc(C(=O)/C=C\c2ccc(C(=O)O)o2)cc1 1596058033 DFBRZMWNUVJOSK-NTMALXAHSA-N 284.311 3.826 30 20 CHED C=CCc1ccccc1CN1CC2(CCCC2)C[C@@H]1C(=O)O 1776187872 DMJBDTHXSBRFLG-QGZVFWFLSA-N 299.414 3.634 30 20 CHED N#Cc1ccc(COc2cccc3cccnc23)c(F)c1 11228101 JIUAKKVGNHVKIW-UHFFFAOYSA-N 278.286 3.825 30 20 CHED Cc1cc(N(C)C)cc(C)c1NCc1ccc(C#N)cc1F 152384489 ZSRLJBVHJFRIJL-UHFFFAOYSA-N 297.377 3.992 30 20 CHED Cc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)c(C)o1 153379303 KXWIDBKMNCDHLP-INIZCTEOSA-N 282.343 3.671 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(CC)C[C@H](C)C#N)cc1 156396165 WUJOCOPVPRNICE-HUUCEWRRSA-N 286.419 3.751 30 20 CHED CC#CCCN1CCC[C@@H]1c1nc2ccccc2n1CC 155999376 FMPSCSUZKGAOLI-QGZVFWFLSA-N 281.403 3.607 30 20 CHED CCN(C(=O)c1cccnc1C)c1ccc(C#N)c(Cl)c1 156558833 PPFXYTVSARQBKD-UHFFFAOYSA-N 299.761 3.582 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OCCC)c(Cl)c1 156644664 YIEOKIOHYLDPON-UHFFFAOYSA-N 282.771 3.779 30 20 CHED C=CCCOC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 918501803 LPTGDXMWSGOHJY-UHFFFAOYSA-N 291.347 3.767 30 20 CHED C#Cc1cccc(CNc2cc(Cl)nc(C3CC3)n2)c1 829463970 UDOKJXPHCWWAJI-UHFFFAOYSA-N 283.762 3.601 30 20 CHED CN(CC1CCCC1)c1nc(C(C)(C)C)ccc1C#N 1185055226 QDXPJKTZEJCQRQ-UHFFFAOYSA-N 271.408 3.877 30 20 CHED C#Cc1ccc(NCc2csc(C3CC3)n2)cc1 898506301 TWHIUHPUFMMECO-UHFFFAOYSA-N 254.358 3.614 30 20 CHED CC(C)OC1CCC(NCC(C)(C)CCC#N)CC1 130289936 WTBSFEIAWCXXQQ-UHFFFAOYSA-N 266.429 3.642 30 20 CHED C[C@@H]1CCC[C@@H](NCc2cc(C#N)ccc2F)[C@@H]1C 20055234 ZCSBKBGRLGZMHW-XHBSWPGZSA-N 260.356 3.612 30 20 CHED N#Cc1cccc(Oc2ccccc2OC(F)(F)F)n1 157921605 MIWIPHMWBCGIKX-UHFFFAOYSA-N 280.205 3.644 30 20 CHED COc1ccccc1CNc1cccc(Cl)c1C#N 48727833 BITNWDZWJAWADC-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CCCC[C@H](CC)CNC(=O)Nc1cccc(C#N)c1 48473499 QIGFOFYVHOOPLB-ZDUSSCGKSA-N 273.380 3.896 30 20 CHED Cc1nc(NC[C@@H](C)c2nccs2)c(Cl)cc1C#N 292707563 SLGBBJPHMFBEBL-MRVPVSSYSA-N 292.795 3.587 30 20 CHED C=CCSCCNCC1CCC(C(F)(F)F)CC1 183700449 SESMZFYTFLOCPW-UHFFFAOYSA-N 281.387 3.864 30 20 CHED COc1cc(NCc2cc(C#N)ccc2F)ccc1Cl 193322738 DVZHZIDTCSFXHJ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 404151994 MWCZCMFPLHRWCF-IUODEOHRSA-N 260.356 3.756 30 20 CHED N#Cc1cccc(CCNCc2cccc(Cl)c2)c1 466424398 HTYFLOFLSMDNAQ-UHFFFAOYSA-N 270.763 3.544 30 20 CHED C=CCCCCNC(=O)c1cnc(Cl)c2ccccc12 312842167 WHISKRMSEWZNPG-UHFFFAOYSA-N 288.778 3.974 30 20 CHED CC(C)C[C@H]1CCCN1c1nccc(C#N)c1Cl 341854942 URWXRHKHLKFCJL-GFCCVEGCSA-N 263.772 3.622 30 20 CHED C=CCOc1ccccc1CNC[C@@H](C)C(F)(F)F 479588584 JQNLCGCGMAZJFB-LLVKDONJSA-N 273.298 3.539 30 20 CHED Cc1nc(N2C[C@H]3CCC[C@@H](C3)C2)c(Cl)cc1C#N 382011631 NGNNSUSWPKSLKX-RYUDHWBXSA-N 275.783 3.542 30 20 CHED CC(C)CN(CCC#N)Cc1cnc2ccccc2c1 382966085 ZUGSQVHRKFQPQC-UHFFFAOYSA-N 267.376 3.606 30 20 CHED CCN(Cc1ccc(CC#N)cc1)c1cccc(F)c1 399124416 QZHDIOANOCGXDW-UHFFFAOYSA-N 268.335 3.918 30 20 CHED FC(F)(F)c1ccc(C=NNCc2ccccc2)s1 761770252 SDQIENROZINXBF-UHFFFAOYSA-N 284.306 3.891 30 20 CHED CC[C@@H]1C[C@H]1CN(Cc1ccc(C#N)cc1)C(C)C 1307437843 COIVQXBQIOLFRQ-SJORKVTESA-N 256.393 3.815 30 20 CHED N#Cc1ccc(NCc2cnc(C3CC3)o2)cc1Cl 450919155 XTSGAZSSHNZOAP-UHFFFAOYSA-N 273.723 3.689 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2)c(C)n1C(C)C 7265524 HPRUAMSWUMULOY-UHFFFAOYSA-N 281.359 3.810 30 20 CHED C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 7981717 VTRRMNVOWVILTL-LBPRGKRZSA-N 281.315 3.682 30 20 CHED Cc1ccc(CC(=O)Nc2sc(C)c(C)c2C#N)cc1 10698877 HVBFWOZRMJGSDN-UHFFFAOYSA-N 284.384 3.726 30 20 CHED Cc1ccc(SC2CCCC2)c(C(=O)N[C@H](C)C#N)c1 179820835 ORFVHNMGGWDRRA-GFCCVEGCSA-N 288.416 3.672 30 20 CHED Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1C 113179725 YQSLHNPTKOKIOL-INIZCTEOSA-N 298.773 3.952 30 20 CHED CCN(C(=O)C1=C(C)OCCC1)[C@@H](C)c1ccc(C#N)cc1 179349034 ZBTNTEWKWBCJDM-ZDUSSCGKSA-N 298.386 3.552 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc3ccccc3o2)C1 116806430 AGQSCCBGWHZPFM-PXAZEXFGSA-N 282.343 3.635 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1ccccn1 172365641 FRUKUEWYNHKIMJ-AWEZNQCLSA-N 275.396 3.530 30 20 CHED C=CC1CCN(C(=O)C[C@H](C)c2ccccc2C)CC1 116023584 PTHOEFQSCGZSBF-HNNXBMFYSA-N 271.404 3.913 30 20 CHED C=CCN(Cc1noc(C(C)(C)C)n1)Cc1cccs1 51262215 NKZSBBFIJYIAIR-UHFFFAOYSA-N 291.420 3.617 30 20 CHED C=C(C)COC(=O)C1(c2cccc(Cl)c2)CCOCC1 65027565 VCJIUDDMVITVTE-UHFFFAOYSA-N 294.778 3.508 30 20 CHED COCc1cccc(CN(CCC#N)CCC(C)C)c1 179226789 NWTVVUTVDKVNFL-UHFFFAOYSA-N 274.408 3.595 30 20 CHED N#Cc1cccc(CN[C@H]2CCC[C@H]2c2ccccc2)c1 111412687 VTTZTHYOJFTOPY-OALUTQOASA-N 276.383 3.984 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(F)c(F)c2)c1C 65722753 GLGAXUYFZWSRFA-SOFGYWHQSA-N 290.313 3.694 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)c2csc(CC)n2)c1 111717827 POUZKUWBXLIXOS-LLVKDONJSA-N 299.399 3.570 30 20 CHED COc1cc(COc2cccc(C#N)c2)ccc1SC 68042759 KFGMKPFXTYFLHY-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1C(C)(C)C 119892899 OXSGKNBYJJRHFW-LBPRGKRZSA-N 273.380 3.750 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H](C)c1ccncc1)c1ccccc1 119799544 LUITXGIEGOVHJF-HZPDHXFCSA-N 294.398 3.961 30 20 CHED COCc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1 173018206 YSLURRWBGCOWOB-NVNXTCNLSA-N 282.314 3.795 30 20 CHED C[C@@H](CC1CCCC1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 114617349 HHZWFUMKIBGFCG-JSGCOSHPSA-N 295.386 3.956 30 20 CHED C=CCN(C)C(=O)N[C@H](CC(C)C)c1ccccc1OC 119293591 DUAJFYGOYBGURK-OAHLLOKOSA-N 290.407 3.610 30 20 CHED CN(CCCC(C)(C)C#N)c1ccc(F)c(F)c1 174832520 YGZGZERPGNRNKE-UHFFFAOYSA-N 252.308 3.731 30 20 CHED COc1cccc2c1CC[C@H]2Nc1cccc(F)c1C#N 301613626 AGHSPRRJOSOBKG-MRXNPFEDSA-N 282.318 3.805 30 20 CHED C=CCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 175687545 OYXBUDUEQYIQAI-UHFFFAOYSA-N 284.186 3.717 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1c(F)cccc1F 177390823 YLMTWYIRUCLDQJ-UHFFFAOYSA-N 265.303 3.696 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 175476116 NPUYWKBTRIZWPF-INIZCTEOSA-N 297.402 3.891 30 20 CHED CC(C)CC[C@H](NC(=O)NCCCCC#N)C(C)(C)C 172071120 JLWSZOULRKWTDH-AWEZNQCLSA-N 281.444 3.830 30 20 CHED C[C@@H](Nc1c(C#N)cccc1C#N)c1ccc(F)cc1F 302787941 XDQLIKYSLDHSKY-SNVBAGLBSA-N 283.281 3.881 30 20 CHED CC1(C)CCC(C(=O)Nc2ccc(C#N)cc2)CC1 425956250 WDFZEJRLRWSWFJ-UHFFFAOYSA-N 256.349 3.713 30 20 CHED N/C(=N/Cc1cccc(Cl)c1)Nc1ccc2c(c1)CCC2 303721893 XTJPIAKNHRMKOF-UHFFFAOYSA-N 299.805 3.756 30 20 CHED CCc1cccc(N/C(N)=N/Cc2ccccc2Cl)c1 303710924 OZUAZDTWSKVLQI-UHFFFAOYSA-N 287.794 3.829 30 20 CHED N#Cc1ccccc1OCc1ncc(-c2cccs2)o1 67428399 OKXHTELCZXHKDY-UHFFFAOYSA-N 282.324 3.854 30 20 CHED Cc1nn(C(C)C)cc1CN(CCC#N)CC(C)(C)C 281502270 GTMZVQSOPDKOAQ-UHFFFAOYSA-N 276.428 3.534 30 20 CHED C=CCCC[C@H](C)N=c1ccc(C(F)(F)F)c(C#N)[nH]1 409731683 KPPJLPVPWRGZDJ-JTQLQIEISA-N 283.297 3.551 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(C)Cc1cccc(C#N)c1 308060671 YRRWYHTUAHLQRH-KRWDZBQOSA-N 286.419 3.979 30 20 CHED C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)Cc1cccs1 185848402 BVLWNOOBEZEGPV-MELADBBJSA-N 262.422 3.599 30 20 CHED Cc1cc(C(=O)OCC2(C#N)CCCC2)c(C)n1C(C)C 183883038 IRHLBDKQFPBKBY-UHFFFAOYSA-N 288.391 3.927 30 20 CHED Cc1ccc(/C=C/C(=O)c2sccc2O)cc1[N+](=O)[O-] 184516269 WQADIEABQGSEBX-SNAWJCMRSA-N 289.312 3.566 30 20 CHED C=CCCC(=O)Nc1cccc(N2CCCCCC2)c1 76372583 HQQZUYILYOXCGF-UHFFFAOYSA-N 272.392 3.972 30 20 CHED C=CCN(Cc1ccon1)Cc1ccc(Cl)s1 122512619 UAELCEVWRRJVIW-UHFFFAOYSA-N 268.769 3.578 30 20 CHED C=C[C@H](CC(=O)NCCCCCSC)c1ccccc1 188106796 UDYATRBVDJXLKJ-OAHLLOKOSA-N 291.460 3.996 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)c2c(F)cccc2F)c1 121346376 CQTZIDBCLXGRMX-GFCCVEGCSA-N 299.320 3.713 30 20 CHED CC(C)c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 189767584 PIMQAFOSAAZOFD-UHFFFAOYSA-N 280.327 3.640 30 20 CHED C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)Oc1cccc(F)c1 181827119 RNVKGAQNRCGWIV-KBPBESRZSA-N 298.361 3.815 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 180406509 AYNHXLPOLSFBHY-LBPRGKRZSA-N 275.352 3.575 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2cccc(F)c2)cc1 124302760 IQTFQJUNDATALA-CQSZACIVSA-N 283.346 3.689 30 20 CHED CCc1cc(Oc2cc(Cl)ccc2C#N)nc(C)n1 359732787 SXUNIIDINJHEDL-UHFFFAOYSA-N 273.723 3.665 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cccc2ccccc12 410825135 FIWZPYZHIDOCGM-CQSZACIVSA-N 266.344 3.604 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NCCCSCC#N 72515876 FSGBOAIHIDLILG-KGLIPLIRSA-N 268.470 3.828 30 20 CHED C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(OCC#N)cc1 180547938 PVGZCTPJBUBOKS-LIRRHRJNSA-N 292.382 3.612 30 20 CHED Cc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c(C)s1 75275724 GDPASQVXTWHOKU-NSHDSACASA-N 284.384 3.728 30 20 CHED C=CCSCCN[C@@H]1CCCOc2ccc(F)cc21 180457975 LWNCRUVNZOFNAT-CQSZACIVSA-N 281.396 3.548 30 20 CHED CC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccncc1 181805999 WUCRJYBEIZDTCQ-RDTXWAMCSA-N 295.386 3.786 30 20 CHED C=CC[C@@H](C)NC(=O)CCOc1cc(C)ccc1C(C)C 505817982 LVPVXGFSYKHIST-OAHLLOKOSA-N 289.419 3.968 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)CCC1 412458626 CUVXMVKDXAPMEH-GJZGRUSLSA-N 261.409 3.675 30 20 CHED CCCCS[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#N)c1 75267479 IGMRHGRRGLNJTG-STQMWFEESA-N 290.432 3.657 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(C)n1C(C)C 76880729 VBEHPBYODFYSSM-UHFFFAOYSA-N 299.349 3.949 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 189204364 GBVMCLLDHOYURS-RVKKMQEKSA-N 289.419 3.524 30 20 CHED N#Cc1cccnc1NCc1ccc(-c2ccccc2)o1 76871607 IVPDPWYGLIQQAV-UHFFFAOYSA-N 275.311 3.825 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cc3ccccc3o2)C1 185780789 WSHVNOOQFDMROM-TZMCWYRMSA-N 254.333 3.605 30 20 CHED Cc1cc(NC(=O)[C@@H]2CCC(C)(C)C2)c(C#N)cc1N(C)C 415693483 NSNPVYPVYRXCIX-CYBMUJFWSA-N 299.418 3.698 30 20 CHED COC[C@@H](C#N)N[C@H](CC1CCCCC1)c1ccccc1 181331515 CECWMRRUJJJRRF-QZTJIDSGSA-N 286.419 3.826 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1cccc(OC)c1 188540168 RCWICUIKRUNSIH-SFHVURJKSA-N 289.419 3.691 30 20 CHED CC[C@@H](c1ccc(F)cc1)[S@@](=O)CCCCC#N 78734952 DCFPGCYUYHZWQN-KBXCAEBGSA-N 267.369 3.719 30 20 CHED COc1cc(CN(C)CCC(C)(C)C#N)ccc1SC 157844070 KANSJBOHZWBSOZ-UHFFFAOYSA-N 292.448 3.789 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(Cl)cc1 493343720 IEYFHZNJYFUVHB-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=C(C)[C@H](NC(=O)CO[C@H](C)CC)c1ccc(F)c(F)c1 186081822 BAOJYCVQYFMMKK-BZNIZROVSA-N 297.345 3.513 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1 412846515 WSCGDXFAYNOKQC-IBGZPJMESA-N 293.410 3.923 30 20 CHED CCCOc1cc(CNc2ccccc2C#N)ccc1OC 414294947 CMZBHAYJQCUCFB-UHFFFAOYSA-N 296.370 3.968 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(OC)cc1Br 132830654 VXAWTVRTZMWKDB-NXEZZACHSA-N 284.197 3.683 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1sccc1C 48976261 RVBHSDIKONOXJI-UHFFFAOYSA-N 286.356 3.579 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)NCC2(C#N)CCC2)c1 419649765 QKXWPWUGGKQWDH-MRXNPFEDSA-N 297.402 3.535 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](C#N)CCC#N 76513946 XAKHTOQPBJLLKC-CYBMUJFWSA-N 295.308 3.581 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1ccncc1 414301384 LYAAIUGKFJUFGY-CRAIPNDOSA-N 266.388 3.920 30 20 CHED CC#CCN[C@H](CC)c1cc(F)cc(Br)c1 132949468 MSFWLJNJWBDJHF-CYBMUJFWSA-N 284.172 3.652 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](CC)CC1CCCC1 415633940 WQWUTXGQNMJCFU-CABCVRRESA-N 264.413 3.744 30 20 CHED C[C@@H](CCC(=O)N(CCC#N)CC1CC1)c1ccccc1 132793359 RJCBCYITCYKPBP-HNNXBMFYSA-N 284.403 3.723 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)C1CCCC1 329224753 CPSPCQXDLNDXSL-DGCLKSJQSA-N 266.385 3.667 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@@H]1CCCCS1 329298380 UIAJEUPKKTVGCZ-NTZNESFSSA-N 298.452 3.762 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 417361500 IVRZOABPINPHCC-KPZWWZAWSA-N 295.361 3.821 30 20 CHED C=C(Cl)CNC(=O)c1ccc(SC(F)(F)F)cc1 134822141 IVFFODVRQPLVPB-UHFFFAOYSA-N 295.713 3.781 30 20 CHED CS[C@H](CNCc1ccc(C#N)c(F)c1)C(C)(C)C 421350928 ZDJZXXNHOOFRPK-CQSZACIVSA-N 280.412 3.565 30 20 CHED C=CCC1(C(=O)Nc2ccc3[nH]ccc3c2)CCC1 191716982 BZCFJXJCBAFVSU-UHFFFAOYSA-N 254.333 3.853 30 20 CHED C=CC[C@@H](NCc1cccc(-c2ccccc2C)c1)C(=O)O 426802189 XNTQSMXDHAATRJ-GOSISDBHSA-N 295.382 3.781 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(C)cccc1OC 195033674 UZMSYGLILCWEIQ-UHFFFAOYSA-N 259.349 3.711 30 20 CHED CC1(CC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 428306738 QKXJKSXBIBBGOG-UHFFFAOYSA-N 290.366 3.610 30 20 CHED N#Cc1cc(F)cc(NCc2cccc3cccnc23)c1 227625284 UXIVTDQDMKVOFH-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CCCc2ccccc21 519071514 JSGLMKNLNDFRQG-RHSMWYFYSA-N 287.403 3.504 30 20 CHED C[C@H](CCCC(F)(F)F)NC(=O)C1(C#N)CCCCC1 427753852 CMPHOXPTYDIQER-LLVKDONJSA-N 290.329 3.698 30 20 CHED CC(C)CNC(=O)[C@@H](C)S[C@@H](C)c1cccc(C#N)c1 190915486 MPJXTZAUAMDOKW-QWHCGFSZSA-N 290.432 3.513 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(CC#N)cc1 87004636 OJTZSLUPJVXCBW-CQSZACIVSA-N 288.391 3.532 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC(F)F)c(F)c1 190760376 HQDZVOPKCIDOPN-AWEZNQCLSA-N 287.281 3.968 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCc3cccnc32)CCCC1(C)C 425267851 NHTSVPACTYRFEY-HOTGVXAUSA-N 298.430 3.705 30 20 CHED Cc1c(Cl)cnc(N[C@H](C)c2ccncc2F)c1C#N 337868240 PIPLGLFBTVXMPM-SECBINFHSA-N 290.729 3.622 30 20 CHED CC1CCC(CC(=O)N2CCc3ccc(C#N)cc32)CC1 339823272 UJUPNJMKIBBTDF-UHFFFAOYSA-N 282.387 3.664 30 20 CHED CCCc1ccc(NC(=O)c2sccc2C#N)cc1 194591902 DJCVZJYIFVCQOZ-UHFFFAOYSA-N 270.357 3.825 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/C[C@]1(C)CCCS1 330027152 MQDDWAFATHNDIK-HNNXBMFYSA-N 294.420 3.526 30 20 CHED C=CCn1cccc1C(=O)N1C[C@H]2CC[C@H]1c1ccccc12 338737206 ZVTZDOFPHOYDKM-PBHICJAKSA-N 292.382 3.749 30 20 CHED CC(C)c1ccsc1/C(O)=N/[C@H]1CCCc2c[nH]nc21 330133093 QWFQPRCDBYOIAI-LBPRGKRZSA-N 289.404 3.977 30 20 CHED C=C(CN[C@H]1CCC[C@@H](SC)C1)c1ccccc1 235217500 ADMYHHXJWNLRAV-JKSUJKDBSA-N 261.434 3.964 30 20 CHED Cc1nnc(S[C@H](C)c2cccc(C#N)c2)n1C(C)C 331267835 IVUYGINYUSMSON-LLVKDONJSA-N 286.404 3.892 30 20 CHED Cc1ccc(O)c(/C(O)=N/[C@@H]2CCO[C@H](CC(C)C)C2)c1 331248087 WRKKVEQKKQCCBE-ZIAGYGMSSA-N 291.391 3.599 30 20 CHED COc1c(Cl)cc(Cl)cc1CNCCCCC#N 237302172 NJZDUWYGKTYXGC-UHFFFAOYSA-N 287.190 3.785 30 20 CHED CC1=C(/C(O)=N/Cc2cccc([N+](=O)[O-])c2C)CCC1 331105380 GCRCHYWQKHHCPK-UHFFFAOYSA-N 274.320 3.860 30 20 CHED CN(CCC#N)c1ccc(CN2CCC3(CCCC3)C2)cc1 93336639 BCSWIPHUSKWAFH-UHFFFAOYSA-N 297.446 3.803 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccccc1Cl 424612005 DWFYAWZTZGLRPH-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)c1ccc2n[nH]cc2c1 336208603 VQWHVGWEERMWLR-VWDMACCTSA-N 282.391 3.686 30 20 CHED C=C(C)COc1cc(CNCCCCC)ccc1OC 236751120 KLSPVDTYGCKNKG-UHFFFAOYSA-N 277.408 3.930 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(Cl)c2ncccc12 338124128 LEIIKDVMSQNLLY-JTQLQIEISA-N 274.751 3.583 30 20 CHED C#CCOc1ccc(F)cc1NCc1sccc1C 237783959 ULIKQQPZKXXHNY-UHFFFAOYSA-N 275.348 3.820 30 20 CHED CCCCCCC[C@@H](C)CNCc1cncn1C 236640318 VGHWQHNKTCPFJY-CQSZACIVSA-N 251.418 3.506 30 20 CHED Cc1n[nH]cc1C/N=C(/O)N(CC(C)(C)C)CC(C)(C)C 330999986 PUTNSFMIFRLIPD-UHFFFAOYSA-N 294.443 3.526 30 20 CHED CC(C)N(CCC#N)Cc1ccc(C(F)(F)F)s1 514988634 PEOVKJVDFSXACE-UHFFFAOYSA-N 276.327 3.891 30 20 CHED C#CCCCCC(=O)Nc1cc(C)cc(Br)c1 230229935 QACBUNPUPILSPP-UHFFFAOYSA-N 294.192 3.890 30 20 CHED CC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CCOCC1 231718330 OYNGIMKMUYQEEV-UHFFFAOYSA-N 298.308 3.806 30 20 CHED O=C(/C=C/c1ccn(-c2ccccc2)n1)c1cccs1 90987809 IRPUKCCCMAHEKK-CMDGGOBGSA-N 280.352 3.830 30 20 CHED C#CCCCCC(=O)Nc1cccc(SCC)c1 179928240 IPYUYMAOSHXNJF-UHFFFAOYSA-N 261.390 3.931 30 20 CHED CC[C@H](NC(=O)NCc1ccc(C#N)cc1)c1ccccc1 338310458 AGYITTAKRJCZMC-KRWDZBQOSA-N 293.370 3.509 30 20 CHED OC(=Nc1ccc2ccccc2n1)[C@H]1CCCOCC1 330251268 HNTVGZPVLFMWLV-ZDUSSCGKSA-N 270.332 3.640 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCOC(C)(C)C 438299607 MLNIYZJPXIKJIQ-UHFFFAOYSA-N 278.392 3.926 30 20 CHED C=CCSCCNc1cncc(-c2cccs2)n1 338651828 FTFGZNOJWALTPM-UHFFFAOYSA-N 277.418 3.536 30 20 CHED C=CCC(C)(C)c1noc(-c2cnnc3ccccc23)n1 528201496 BKYBRMPOJDATOF-UHFFFAOYSA-N 280.331 3.534 30 20 CHED C#Cc1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 248156070 MBPOXRKVAVRNFK-UHFFFAOYSA-N 299.757 3.647 30 20 CHED CCO[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C1(C)C 245874509 JVPPQJGCLUGWAG-IXDOHACOSA-N 286.419 3.825 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H](C)CC 342549761 TVSHKDYTUGMIBJ-OAHLLOKOSA-N 291.439 3.805 30 20 CHED CC#CCCCC(=O)Nc1cc(C)nn1[C@@H]1C[C@H]2CC[C@H]1C2 342084587 BKJZYOWVHIEPKA-HRCADAONSA-N 299.418 3.685 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(F)cc1Cl 435741896 RJMUSOMGLCRMOU-WFASDCNBSA-N 283.774 3.550 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](C)c1cccc(Cl)c1 245971338 APGNHVFLTBQOKQ-DOMZBBRYSA-N 267.800 3.660 30 20 CHED C=CCOc1ccc(CN(C)[C@H]2CCCOC2)cc1Cl 348675068 QANQZWKJYHZFBH-AWEZNQCLSA-N 295.810 3.516 30 20 CHED C=C(C)CS(=O)(=O)N(CCCC)[C@H](C)c1ccccc1 435431515 IYVCDOQIHCGKMI-OAHLLOKOSA-N 295.448 3.756 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cc(Cl)cc3cccnc23)C1 521967001 AEUMRXWRKFLCSF-GXFFZTMASA-N 271.751 3.992 30 20 CHED CC(C)(NC(=O)Nc1cccc(C#N)c1)c1cccs1 342439476 ZAGXASGJIBVWEU-UHFFFAOYSA-N 285.372 3.677 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1ccsc1C(F)(F)F 529597666 XKUAIDLSZSPVGZ-MNOVXSKESA-N 291.338 3.590 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C)ccc1C 435665697 QXYBDSCAICUXLO-NUJGCVRESA-N 273.420 3.935 30 20 CHED CCC1(CNC(=O)C2(c3cccc(C#N)c3)CC2)CCCC1 435252886 YEOZOCZRMIOYNF-UHFFFAOYSA-N 296.414 3.676 30 20 CHED COc1ccccc1C[C@@H](NC[C@H](C)CCC#N)C(C)C 602574360 ZHHRHGLSBCKLLJ-NVXWUHKLSA-N 288.435 3.792 30 20 CHED N#Cc1ccc(-c2ccc(CC3(CN)CC3)cc2)cc1 600777079 RIGNZHAGTYLQFP-UHFFFAOYSA-N 262.356 3.507 30 20 CHED C=CCOc1ccc(CN[C@H](C)[C@H]2CC23CC3)cc1 527899471 RUJUFEHLDDLTGV-CZUORRHYSA-N 257.377 3.530 30 20 CHED C[C@H]1CC[C@H](c2ccccc2)N(Cc2cc(C#N)n(C)c2)C1 348631713 FTCWENHLTYABTI-HNAYVOBHSA-N 293.414 3.870 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)CCC(C)(C)C 437497734 OZTCDCLFQKPEOK-KKUMJFAQSA-N 281.440 3.546 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(CC2(C#N)CC2)C1 343312412 BKGCHBGDHJKDNY-DOMZBBRYSA-N 258.340 3.512 30 20 CHED CC(=O)c1ccc(C#N)c(NCCSCC(C)C)c1 347409052 GEJPLGNPRKLEAP-UHFFFAOYSA-N 276.405 3.562 30 20 CHED C=CCCCCNC(=O)c1cccc(F)c1SC 436111849 QBHQAVMESHCQPE-UHFFFAOYSA-N 267.369 3.634 30 20 CHED Cc1cc(CNCC(C)(C)c2ccccc2)ccc1C#N 443981559 PDNRZUTYBURFLQ-UHFFFAOYSA-N 278.399 3.934 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1c(F)cccc1F 604901022 TVAPKIKYYOGDEF-QWRGUYRKSA-N 282.334 3.632 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 528784757 PYAOSLKOSXFBRK-QWHCGFSZSA-N 264.413 3.647 30 20 CHED COc1ccc(CON=Cc2ccc(C)cc2)cc1F 255612492 YXBWAXOKBUWTJW-UHFFFAOYSA-N 273.307 3.693 30 20 CHED C[C@H](CCC#N)CNCC(C)(C)Oc1cc(F)cc(F)c1 602650531 NVOCGKUHGGOTJK-GFCCVEGCSA-N 296.361 3.652 30 20 CHED Cc1ccc2cccc(N=Cc3ccccc3O)c2n1 255190945 JBPQLENMCGWDHB-UHFFFAOYSA-N 262.312 3.999 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)c1cc(C#N)ccc1Cl 353321589 RHCGJLCJIAXMMQ-NEPJUHHUSA-N 290.794 3.862 30 20 CHED Cc1ccc(-c2ccc(NC[C@H]3CCCO3)nc2)cc1C#N 600790335 AAKPVTQACMLLOO-QGZVFWFLSA-N 293.370 3.520 30 20 CHED CCN(Cc1ccccc1)C(=O)NCC(C)(C)CCC#N 358702397 FLMCDKOKISESEQ-UHFFFAOYSA-N 287.407 3.548 30 20 CHED CCOC(=O)CCSCCC1(C#N)CCCCC1 601095223 IEEKWTBQQQIFNM-UHFFFAOYSA-N 269.410 3.537 30 20 CHED C=CCCCCCN(C)S(=O)(=O)Cc1ccccc1C 606908979 DULVTEIVSQNDTN-UHFFFAOYSA-N 295.448 3.503 30 20 CHED CCc1cccc2c1OCC[C@H]2NCc1ccc(C#N)cc1 264235946 DBKUPRCRDOXLOC-GOSISDBHSA-N 292.382 3.734 30 20 CHED Cc1occc1-c1noc(-c2cccc(SCC#N)c2)n1 350435124 JJSUWWMOCPHOBQ-UHFFFAOYSA-N 297.339 3.921 30 20 CHED N#CCc1ccc(N[C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 442844874 WLPWHQWFJODVSB-HNNXBMFYSA-N 287.366 3.813 30 20 CHED N#CC1(CN[C@H](CC2CCC2)c2ccccc2)CC1 351151935 YALKQYWGKCSDBL-MRXNPFEDSA-N 254.377 3.811 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)[C@H]1CCCC[C@@H]1C)OCC 535126679 ZTJUTPCRBSPPCF-JYJNAYRXSA-N 281.440 3.785 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)N(CCC#N)CC(C)(C)C 448914754 CAJVJKHJYBZNQD-UONOGXRCSA-N 264.413 3.601 30 20 CHED C=C[C@H](S[C@H](CC)c1ccccc1)C(=O)OC 619689570 OQZYFLIJIYIAEQ-OLZOCXBDSA-N 250.363 3.599 30 20 CHED C=CCCNC(=O)C(C)(C)Cc1cccc(Cl)c1 617616310 QNHLYGORIFKPSW-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(Sc2ccccc2)c1 610426858 GGIUHFZBWIMIQJ-LBPRGKRZSA-N 282.368 3.936 30 20 CHED C=C1CCN(C(=O)CSc2ccccc2Cl)CC1 264200466 SQEULLRWGMQVCF-UHFFFAOYSA-N 281.808 3.611 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 264785696 QRXYCWAZSZTSQN-SQNIBIBYSA-N 292.382 3.608 30 20 CHED C=CCC1(NC(=O)c2cccn2C(C)C)CCCC1 619110342 DKVXQHVEIGNTPB-UHFFFAOYSA-N 260.381 3.688 30 20 CHED C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@](C)(C#N)C1 612157778 DAAGNENXHVRZST-BLLLJJGKSA-N 294.345 3.975 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C#N)cc1 537594112 SSKPCQADDLEYLK-ACJLOTCBSA-N 290.366 3.612 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1C#N 532935736 KQNPSUDVJRLTKM-HEHGZKQESA-N 298.386 3.720 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H]2OCC)CCCCC1 456920674 CCXMTWZZNWOEJK-HUUCEWRRSA-N 279.424 3.587 30 20 CHED CC(C)[C@@H]1C[C@@H](NC(=O)CCCC#N)c2ccccc21 360476689 WKUSXISZXBSPHQ-JKSUJKDBSA-N 270.376 3.681 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 457307079 VWTLFIMFUCFDOV-SJLPKXTDSA-N 296.414 3.531 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)NCc1ccc(C#N)c(Cl)c1 619766797 GQFJOBPTNSNZJH-AAEUAGOBSA-N 290.794 3.654 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc([S@](C)=O)cc1 611347195 NNEJKQHLDGGQLM-KUHUBIRLSA-N 279.449 3.649 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2C2CC2)c(OC(F)F)c1 610613810 VLXDINRIZKLFFB-CQSZACIVSA-N 292.329 3.534 30 20 CHED C[C@@H]1CCCC[C@H]1N[C@@H]1CCc2cc(C#N)ccc21 618803273 SBJJFPPTGZROHJ-CSMYWGQOSA-N 254.377 3.714 30 20 CHED C=CCCc1noc([C@@H](C)Oc2cccc(Cl)c2)n1 453245788 IORAKXYZKPBJLU-SNVBAGLBSA-N 278.739 3.982 30 20 CHED Cn1ccc2cccc(N[C@@H](C#N)Cc3ccccc3)c21 615978541 WFAKEKWJWFYXHY-MRXNPFEDSA-N 275.355 3.725 30 20 CHED C=CCC1(NC(=O)[C@H]2CCOc3ccccc32)CCCC1 619104384 KTXFHWSSMKDEII-HNNXBMFYSA-N 285.387 3.558 30 20 CHED CN(C(=O)CCCC#N)c1nc2ccc(Cl)cc2s1 362213843 HAWIITZXZLOPDH-UHFFFAOYSA-N 293.779 3.606 30 20 CHED CC(C)c1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612290036 HBGMKGUDVOYDDM-KRWDZBQOSA-N 285.391 3.968 30 20 CHED C=CC1CCN(C(=O)c2ccc(C)c(C)c2Cl)CC1 541219918 ZVGWMAIJSPYOQD-UHFFFAOYSA-N 277.795 3.995 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 547952063 DKNJHIHPSKSMSO-ZDUSSCGKSA-N 278.783 3.766 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 367187362 PCOVCXABPYLDPQ-SCTFDZSOSA-N 290.357 3.883 30 20 CHED C=C(C)CCNC(=O)CCc1ccc(C(C)C)cc1 452725271 RZJCRHVIBNBVJC-UHFFFAOYSA-N 259.393 3.825 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2c(Cl)cccc2C1 455366400 LTAZRBJQDITVBI-UHFFFAOYSA-N 292.810 3.620 30 20 CHED N#Cc1cccnc1NCCc1cc2ccccc2s1 549232467 GUCBCPLSMCGCHW-UHFFFAOYSA-N 279.368 3.823 30 20 CHED C=CCCc1nc(Cc2csc(-c3ccccc3)n2)no1 546234785 VWEPNZGGUPXCBN-UHFFFAOYSA-N 297.383 3.903 30 20 CHED CC[C@H](CC#N)NC(=O)C(CC(C)C)CC(C)C 450624750 PCMMJIPEOVBMRM-CQSZACIVSA-N 252.402 3.503 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cc(F)c(F)cc1F 620857644 CYHDBQODASVCLT-UHFFFAOYSA-N 285.309 3.507 30 20 CHED COc1ccc(CN(CC2(C#N)CCC2)[C@H](C)C2CC2)cc1 450288764 UDZRJORISVZGPB-OAHLLOKOSA-N 298.430 3.990 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H](c3ccccc3Cl)C2)cn1 549702369 NFWWJYDINNLQIC-YEORSEQZSA-N 283.762 3.965 30 20 CHED CSc1ccc(F)cc1CN[C@H]1CCC[C@@H](C#N)C1 361441903 XJYOQIJZOBUPHN-RISCZKNCSA-N 278.396 3.720 30 20 CHED COc1ccccc1C[C@H](C)Nc1cccc(OCC#N)c1 272988300 WKEFJVFUZUDPOC-AWEZNQCLSA-N 296.370 3.641 30 20 CHED Cc1nc(C)c(NC(=O)c2ccc(C(C)(C)C#N)cc2)s1 279840481 JNXNQAUFKSHEHA-UHFFFAOYSA-N 299.399 3.813 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(OC(F)(F)F)c1 276299421 LGOGOPJXRGRJHQ-UHFFFAOYSA-N 288.269 3.625 30 20 CHED N#Cc1ccc(CNC(=O)NCCCCC2CCCC2)cc1 465525489 XLLLOKRRRBTWNO-UHFFFAOYSA-N 299.418 3.718 30 20 CHED N#CCc1ccc(COc2cccc(C(F)(F)F)n2)cc1 543150231 QFZXSMFQYLBXQF-UHFFFAOYSA-N 292.260 3.745 30 20 CHED CC(C)(C)c1csc(C2CCN(CCC#N)CC2)n1 371487681 IPIDDUDHBXFOKZ-UHFFFAOYSA-N 277.437 3.534 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])c(C#N)c1 463652886 MGRPYTRZBXLATM-MRXNPFEDSA-N 293.326 3.874 30 20 CHED C=CCC1(CNC(=O)Nc2ccc(NC)cc2)CCCC1 625924773 BVBXXTKGSUQKAO-UHFFFAOYSA-N 287.407 3.986 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)C(C)C 463254938 GXQWETNAMDWDLI-KRWDZBQOSA-N 271.404 3.702 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(CC)cc1 467323417 ZEKSVUSKLHRTQR-UHFFFAOYSA-N 271.404 3.676 30 20 CHED C=C(C)COCCN[C@@H]1CCc2cc(F)c(Cl)cc21 623920453 MWTBTOXZCVTEGI-OAHLLOKOSA-N 283.774 3.649 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 467868306 RSYCOAILCURPRK-BONVTDFDSA-N 278.421 3.809 30 20 CHED C=CC[C@H]1N(C(=O)c2ccnc(C)c2)CCCC1(C)C 280032042 FNAXDLWGWRLVBD-OAHLLOKOSA-N 272.392 3.597 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccc(SC)cc1 281207702 IUGUCRHQPLYRAE-CYBMUJFWSA-N 275.417 3.779 30 20 CHED N#Cc1cc(N2CC=C(c3ccccc3Cl)CC2)ccn1 553132741 XOPBEIOGVGVKKU-UHFFFAOYSA-N 295.773 3.900 30 20 CHED N#Cc1ccc(Cl)c(C(=O)NCCC2=CCCCC2)c1 285165949 YRBVRKAUGPEUGO-UHFFFAOYSA-N 288.778 3.832 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@](C)(CC)C1 464589959 DFIMRUYWJUJWHN-GOSISDBHSA-N 287.403 3.904 30 20 CHED C=CC[C@H](C(=O)Nc1nccc(C2CC2)n1)c1ccccc1 637536893 NDXGRVOJALZKFC-HNNXBMFYSA-N 293.370 3.652 30 20 CHED CO[C@]1(C)C[C@@H](Nc2c(Cl)cccc2C#N)C1(C)C 467009879 XDWFIXBRDGNHET-IUODEOHRSA-N 278.783 3.827 30 20 CHED C[C@@H]1[C@@H](C(=O)Nc2ccccc2CC#N)[C@@H]1c1ccccc1 558190939 SYYSOUHCQRXSCL-DOPJRALCSA-N 290.366 3.741 30 20 CHED C=CCCC1(C(=O)Nc2cccc3ocnc23)CC1 556454583 VTZAEICXYOMUSL-UHFFFAOYSA-N 256.305 3.513 30 20 CHED Clc1ccc(C#CCN2CCOCc3ccccc32)cc1 470932313 NNRPVTHGUITOSX-UHFFFAOYSA-N 297.785 3.728 30 20 CHED C=CCC[C@H](O)CNC1(c2cccc(C)c2)CCCC1 472656594 RGSZBHPQBSJFSU-KRWDZBQOSA-N 273.420 3.681 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)cnc1Cl 297839878 WLHFADZVMBJTHY-LBPRGKRZSA-N 273.163 3.929 30 20 CHED C=CC[C@@H](OC(=O)/C=C\c1ccc[nH]1)c1ccccc1 802187002 XRIVBISLCWEJPG-YUQCYMQKSA-N 267.328 3.889 30 20 CHED C#CCCCCCC(=O)NCC1CCC(F)(F)CC1 800279662 KXLYRHOMOALAHJ-UHFFFAOYSA-N 271.351 3.512 30 20 CHED O=C(/C=C\c1cnccn1)c1ccc(Cl)c(Cl)c1 809152709 VPTSHWZFMUBLLP-RQOWECAXSA-N 279.126 3.680 30 20 CHED C#C[C@@H](NC(=O)N(C)Cc1cc2ccccc2o1)C(C)(C)C 808317404 RHCIOZSHZNOVGM-MRXNPFEDSA-N 298.386 3.622 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 294712322 ULTINHKEFFKAFW-GJZGRUSLSA-N 257.377 3.651 30 20 CHED C=CCN(CCC#N)[C@H](C)C(=O)Nc1ccccc1C(C)C 292222819 PCVFQCPXEAIYEO-OAHLLOKOSA-N 299.418 3.539 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccc(F)cc3)C2)C1 293713482 MYSWKHBKVOQBEC-SDNTUTLCSA-N 272.367 3.744 30 20 CHED CC(F)(F)c1ccc(C(=O)N(CC#N)C2CCCC2)cc1 293256489 VDTLPNBTVREGOB-UHFFFAOYSA-N 292.329 3.707 30 20 CHED CCn1ccnc1[C@@H](C)N[C@@H](CCC#N)c1ccccc1 296970321 RMQNVOIZIHGUGW-ZBFHGGJFSA-N 282.391 3.599 30 20 CHED C=CCCCCCCNc1nnc(-c2ccon2)s1 804851307 WBDYCVYSUWMFEI-UHFFFAOYSA-N 278.381 3.742 30 20 CHED CC(Cc1cccs1)=NNc1ccc([N+](=O)[O-])cc1C 807990967 PREWJLIKNXLUDX-UHFFFAOYSA-N 289.360 3.995 30 20 CHED C=CC(C)(C)C(=O)OCc1nc2ccccc2s1 296582415 PTKHMMIFHOFEHO-UHFFFAOYSA-N 261.346 3.552 30 20 CHED C=C(C)[C@@H](NC[C@@H]1CCCOC1)c1ccc(F)c(F)c1 479409943 KUWNZDVHXHHFJY-BLLLJJGKSA-N 281.346 3.598 30 20 CHED CCCC[C@H](SCc1ccc(C#N)s1)C(=O)OC 564669048 YDVCQUYLXYLNCR-LBPRGKRZSA-N 283.418 3.585 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(Cl)cc1C 297805807 PBFXJWWHGSUPAB-UHFFFAOYSA-N 252.745 3.584 30 20 CHED CCOC(=O)[C@@H]1CCC(=NOCC(C)C)c2ccccc21 802712965 XYNGTNOURAOJHF-OAHLLOKOSA-N 289.375 3.504 30 20 CHED C=CCOCCCN1CCC[C@@H]1C1CCCCC1 470719011 ZMQMDMBDSDIQBC-MRXNPFEDSA-N 251.414 3.624 30 20 CHED C#Cc1ccccc1CC(=O)OCc1cc2ccccc2o1 810542063 UTDWPMBPFSTPKD-UHFFFAOYSA-N 290.318 3.700 30 20 CHED CCO[C@@H]1CC(=NOCC2CC2)C12CCCCC2 814241724 NLMMKNFIDKYOSC-CQSZACIVSA-N 251.370 3.528 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(OCC(C)C)cc1 816042848 ZFBADWYYJNHVKD-UHFFFAOYSA-N 284.302 3.838 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@@](C)(C#N)C2CCCCC2)C1 562778212 IXHSVWGVZFUPRW-CPUCHLNUSA-N 276.424 3.791 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OCC)cc1 486752431 JNAZNXTVTQIVMF-AWEZNQCLSA-N 274.364 3.658 30 20 CHED CCCCCCCCCCC(=O)N1CC2(CCOC2)C1 819384896 REBGSWHCWBVJJP-UHFFFAOYSA-N 281.440 3.766 30 20 CHED CC(=NOC1CCC1)c1[nH]c(-c2ccccc2)nc1C 812235427 GODDYKCPDLTDAL-UHFFFAOYSA-N 269.348 3.678 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(COC(C)C)cc1 488863026 WYSJEAHZTBUEMP-QGZVFWFLSA-N 287.403 3.792 30 20 CHED C=CCCCC[C@H](C)N[C@H](CC)C1CCOCC1 578089185 CQQCFPRUOBPUQF-GOEBONIOSA-N 253.430 3.916 30 20 CHED N#Cc1cccc(NCc2conc2Cc2ccccc2)c1 572020212 OYOCKUHEQFKDBH-UHFFFAOYSA-N 289.338 3.749 30 20 CHED C=CCCCCCCCNC(=O)N(C)[C@@H](C)CC 812495948 ZAPCZBANBSQWDN-AWEZNQCLSA-N 254.418 3.953 30 20 CHED C=CCCCCCCCN[C@H]1CCN(CC)C[C@H]1C 810243959 WBTZBKRNBJEIMC-SJORKVTESA-N 266.473 3.833 30 20 CHED N#Cc1c(F)cccc1OCC[C@@H]1CC1(Cl)Cl 818080547 AWEWRGNOTPLFSL-MRVPVSSYSA-N 274.122 3.660 30 20 CHED C=C(CC)Cn1cc(-c2ccccc2SC)nn1 656453670 QNEYREDASNTZSR-UHFFFAOYSA-N 259.378 3.633 30 20 CHED CC(=NOCCOC(C)C)c1csc(Cl)c1 812238699 CVNBXTVHVGUYAW-UHFFFAOYSA-N 261.774 3.567 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@@]12CCc1ccccc12 489941003 KKWCWKRGXRBEQT-QFBILLFUSA-N 283.415 3.609 30 20 CHED N#CCC1(OC(=O)Cc2cccc3ccccc23)CCC1 810855822 UTKRZCBDQGUPRA-UHFFFAOYSA-N 279.339 3.762 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](CC)c1ccc(OC)cc1 489883800 LANDNTJNOCUBMQ-INIZCTEOSA-N 289.419 3.907 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)n1)c1ccccc1Cl 810636398 UCLWOQWULMIFHX-SNVBAGLBSA-N 286.718 3.525 30 20 CHED N#Cc1cc(Nc2ccc(OC3CCCC3)c(F)c2)ncn1 579548032 MKGAHUDNPQQRSD-UHFFFAOYSA-N 298.321 3.552 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCC[C@H](OC)C1 814418230 HLMIHXLIDGREDV-HOTGVXAUSA-N 281.440 3.834 30 20 CHED CC[C@H](CC(=O)OCCCCC#N)c1ccccc1 729020606 OTFVTRICXPFANI-CQSZACIVSA-N 259.349 3.807 30 20 CHED C#Cc1cccc(NC(=S)N2c3ccccc3C[C@H]2C)c1 726435014 YONUABDHRFBNFC-CYBMUJFWSA-N 292.407 3.816 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N(CCC#N)CC(C)C)cc1C 824234739 QYBMQNNRFFNQSE-ZWKOTPCHSA-N 298.430 3.805 30 20 CHED C=CC[C@H]1CCCN(Cc2c(Cl)cccc2C(=O)O)C1 656760690 XQOUCJNNRZUJTJ-LBPRGKRZSA-N 293.794 3.826 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)NCC1(C#N)CCC1 570572642 XOOBDMVVLDRUMA-CQSZACIVSA-N 262.397 3.569 30 20 CHED N#Cc1cccc(N2CCC3(CCCC3)CC2)c1[N+](=O)[O-] 578484397 BBAWMGMHPIOWEZ-UHFFFAOYSA-N 285.347 3.627 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H]1CCCC1(C)C 497855590 YYTLXXHEQNHFAS-HNNXBMFYSA-N 290.407 3.598 30 20 CHED C=CCCC(=O)O[C@H](C)C(=O)Nc1ccc2ccccc2c1 726649851 GFYDRMKBEJYQDM-CYBMUJFWSA-N 297.354 3.676 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)Cc1ccc(OC)cc1 491197814 YDLOQDBTGVZCHD-CQSZACIVSA-N 289.419 3.592 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCC(C)(C)F 661754423 RNQAMUGLNKMKLZ-UHFFFAOYSA-N 292.398 3.913 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 726435945 ZSKNTXPGURWKGS-DYWXZXKOSA-N 298.455 3.779 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H]1c1cccc(OCC)c1 497937681 VVORWMZQEFXKQO-HZPDHXFCSA-N 287.403 3.660 30 20 CHED COc1cccc(NN=Cc2cc(C)ccc2C)c1 725853615 PGIMXFCIIVZMDE-UHFFFAOYSA-N 254.333 3.758 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccc(C)cc1Cl 494475450 MHBGKKSZZKSTEH-CYBMUJFWSA-N 293.794 3.616 30 20 CHED C=C(CC)CN(C)[C@@H](COC)c1ccc(Cl)cc1 490073191 QKWCGEFCTGMZTO-HNNXBMFYSA-N 267.800 3.926 30 20 CHED N#CCCCCCC(=O)N1CC[C@H](Cc2ccccc2)C1 588159210 BRJZNITZSNLADM-QGZVFWFLSA-N 284.403 3.552 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 498291435 GSSJEZYLXKEXAF-MRXNPFEDSA-N 290.382 3.803 30 20 CHED C=CCCC[C@@H](NCc1ccc(C)cc1Cl)C(=O)O 900069300 XPEHVALEOUJUSP-CQSZACIVSA-N 281.783 3.548 30 20 CHED C=CCCCOC(=O)c1cnc(OC(C)C)c(Cl)c1 735530857 QYCBOAXLAQBSJZ-UHFFFAOYSA-N 283.755 3.645 30 20 CHED C#CCC[C@@H](C)OC(=O)c1csc(-c2ccc(C)o2)n1 839035847 MCVZVIWMXHJHRD-SNVBAGLBSA-N 289.356 3.670 30 20 CHED Cc1ccnc2ccc(C(=O)O[C@H]3CCC[C@H](C#N)C3)cc12 839063024 PFXALNLJKVRIDK-ZFWWWQNUSA-N 294.354 3.782 30 20 CHED COc1cc(CON=Cc2ccc(C(C)(C)C)cc2)on1 902131053 SNHDFDJNAXDCTN-UHFFFAOYSA-N 288.347 3.531 30 20 CHED C#CC1CCN(C(=O)Nc2ccccc2CCC=C)CC1 831780975 FXJXVBGWKTXYQJ-UHFFFAOYSA-N 282.387 3.682 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc(OCC#N)cc2)c1 731212673 BQSYAOARWIIFOG-UHFFFAOYSA-N 290.366 3.597 30 20 CHED COc1ccc(-c2cccc(C3(C#N)CC3)c2)c(OC)c1 904887289 GVCGNSZBEHCIMJ-UHFFFAOYSA-N 279.339 3.926 30 20 CHED N#Cc1csc(C(=O)OCCCCC2(C#N)CCC2)c1 909058941 QOKPKYNBTAZIDD-UHFFFAOYSA-N 288.372 3.641 30 20 CHED C=CCCCCCCNC(=O)[C@@]1(C#N)CC12CCCC2 831992139 DCAXAMZFQFJSRN-KRWDZBQOSA-N 274.408 3.713 30 20 CHED C[C@@H]1CC[C@@H](C(=O)OCCCC(C)(C)C#N)C[C@H]1C 837822727 ANMNHNWPGNMKGR-MGPQQGTHSA-N 265.397 3.932 30 20 CHED FC(F)(F)c1ccnc(NN=C[C@H]2CCCSC2)c1 834983838 IGXNQUAWHQDCQJ-SECBINFHSA-N 289.326 3.641 30 20 CHED C=CCCCOC(=O)c1cc2ccc(Cl)cc2[nH]1 735526515 CEANWLSNKIWZNL-UHFFFAOYSA-N 263.724 3.944 30 20 CHED C=C(C)CCOC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 838143731 HFMJRFGHMZQVGL-LBPRGKRZSA-N 289.158 3.536 30 20 CHED Cc1csc(C(=O)OCC(C)(C)CCC#N)c1 835387582 WKSSLVLMVZAWFD-UHFFFAOYSA-N 251.351 3.543 30 20 CHED C=CCC[C@@H](Nc1cccc(C(=O)O)n1)c1ccccc1 833373240 IRVREFPLATXVPU-CQSZACIVSA-N 282.343 3.899 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=Cc1cccc(C)c1C 731153112 ARCZGNWEUHWSPA-UHFFFAOYSA-N 283.331 3.966 30 20 CHED Fc1cccnc1NN=C1CCc2ccccc2CC1 834977500 LTBOKCYAHHLVLB-UHFFFAOYSA-N 269.323 3.568 30 20 CHED C#CCCCC(=O)O[C@H](CC)c1ccnc(Cl)c1 838920783 SVEILUJGTKPBQN-GFCCVEGCSA-N 265.740 3.533 30 20 CHED C=C(CNC(=O)[C@@H]1C[C@H]1c1sccc1C)c1ccccc1 672478221 MCOKINDIYNEDQK-HZPDHXFCSA-N 297.423 3.990 30 20 CHED CCO[C@@H]1C[C@@H](N[C@H](C#N)c2ccccc2)C12CCCC2 595482383 OLGRFSGHVOMJRN-BRWVUGGUSA-N 284.403 3.579 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2cc(C)ccc2OC)c1 914558456 VXQOYBCFNQAUFG-ODLFYWEKSA-N 299.370 3.727 30 20 CHED CCS[C@H](C(=O)OCc1cc(C#N)ccc1F)C(C)C 748801433 XBIHROCICBXYLQ-AWEZNQCLSA-N 295.379 3.518 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@@H]1CCC(C)C 590175179 SGQKGQOPCIQQLM-CVEARBPZSA-N 278.440 3.975 30 20 CHED CC(C)n1c2ccccc2n2c(SCCCC#N)nnc12 847210214 SVECFZQOWPWEDX-UHFFFAOYSA-N 299.403 3.661 30 20 CHED CC(C)(C/N=C\c1cccc(O)c1O)c1ccccc1F 749748619 HZTVIPVXSKCEHB-GRSHGNNSSA-N 287.334 3.634 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C(C)C)oc2ccc(F)cc12 747743103 DPQUYHVHPMTJOQ-ZDUSSCGKSA-N 275.279 3.585 30 20 CHED CCCCCCCSc1nnc(-c2ccoc2C)n1N 915791267 CIMWLNRGIICEKD-UHFFFAOYSA-N 294.424 3.623 30 20 CHED N#CCCCSCc1cnc(-c2ccccc2)nc1 596406950 NRMBKVWISZYKRG-UHFFFAOYSA-N 269.373 3.681 30 20 CHED O=C1/C(=C/c2ccnn2CC2CC2)Cc2c(Cl)cccc21 849246925 XYLJFRUHDMSRRY-XYOKQWHBSA-N 298.773 3.769 30 20 CHED CCCN(C(=O)[C@H]1CC12CC2)c1cc(Cl)ccc1C#N 598808080 DPGSZYGKOITFRA-CYBMUJFWSA-N 288.778 3.755 30 20 CHED Cc1cc(C=NNc2ccccc2)c(C)n1C[C@H]1CCCO1 916247221 JPLCAHILUJXEOR-GOSISDBHSA-N 297.402 3.730 30 20 CHED C=CCCSCCN[C@H](CCC)c1cccnc1 595061273 ZSOUHXBKKMCPHA-OAHLLOKOSA-N 264.438 3.822 30 20 CHED Fc1ccc(NN=Cc2ccc(F)cc2F)cc1 916268182 OUGDUNIRUWUHEI-UHFFFAOYSA-N 250.223 3.550 30 20 CHED Fc1cc(F)c(NN=C2CCC[C@@H]3C[C@H]23)cc1F 841627367 YEAJTXGOIAZWCX-SFYZADRCSA-N 254.255 3.692 30 20 CHED C[C@H](NC(=O)CC1(C#N)CCCCC1)C1CCCCC1 597313075 RUZPEOXYABHOBW-AWEZNQCLSA-N 276.424 3.936 30 20 CHED CCc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2)cc1 916244927 GITOPQDBQPVBNB-UHFFFAOYSA-N 283.331 3.993 30 20 CHED O=C(/C=C/c1ccnn1CC1CC1)c1cccc(Cl)c1 849241914 QIXLXCBIFMQVJM-VOTSOKGWSA-N 286.762 3.843 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1ccccc1[N+](=O)[O-] 916249945 FSKXEXYJPVGSFN-UHFFFAOYSA-N 299.330 3.721 30 20 CHED N#CC[C@H]1CCCN(C(=S)Nc2ccc(Cl)cc2)C1 849271276 FUQRBKMPXQRYIJ-LLVKDONJSA-N 293.823 3.662 30 20 CHED COc1cccc([C@H](C)/N=C/c2cc(OC)ccc2O)c1 917558348 MKZMZDDHAZFXDZ-HWQJWEFDSA-N 285.343 3.590 30 20 CHED N#CC[C@H]1CCCN(C/C=C\c2ccc(F)c(F)c2)C1 597176166 GDAWYGNAONBLMS-NPPUXFBVSA-N 276.330 3.604 30 20 CHED Cc1cccc(CON=Cc2ccccc2OC(C)C)n1 842017061 HIIKSXRROHDTOM-UHFFFAOYSA-N 284.359 3.728 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccc(F)cc2F)c1 745624715 MZYMOGQUUMHUMX-GRSHGNNSSA-N 291.297 3.688 30 20 CHED Cc1cc(C#N)ccc1NC1CCN(C2CCCC2)CC1 846745212 DHUYHUWWLGJSPU-UHFFFAOYSA-N 283.419 3.686 30 20 CHED CCCCC1CCC(C(=O)N(CC)[C@H](C)C#N)CC1 598348586 BIGOJCVUDSAIBH-WLYUNCDWSA-N 264.413 3.744 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1 598123165 FZLHOBSNCWRQPB-QMMMGPOBSA-N 283.158 3.510 30 20 CHED CCCC(C)(C)C(=O)NCc1ccc(C#N)c(Cl)c1 593149675 AVXHSYUENPDCIE-UHFFFAOYSA-N 278.783 3.654 30 20 CHED CCOc1ccc(O)c(/C=N\CC(C)(C)c2cccnc2)c1 840714007 WQONUWGKGMIIGN-JAIQZWGSSA-N 298.386 3.583 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1cnn(C(C)C)c1)C2 841486189 BHFDMHFIZIJKFK-VIZOYTHASA-N 266.344 3.595 30 20 CHED C#CCC(C)(C)C(=O)NC(C)(C)c1cccc(Cl)c1F 848388794 FMGABUWESQTEDE-UHFFFAOYSA-N 295.785 3.880 30 20 CHED Cc1ccc(NC(=O)C(C)C)cc1NCC1(CC#N)CC1 594701494 QPOUJSJESCSGEA-UHFFFAOYSA-N 285.391 3.695 30 20 CHED C=CCN(CCc1ccco1)Cc1cc2ccccc2[nH]1 684022829 JZWPWQVDRCCDET-UHFFFAOYSA-N 280.371 3.992 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(Cl)cc1F)OCC 756500343 HEKOMDGBYWENHN-ZDUSSCGKSA-N 286.730 3.756 30 20 CHED C=C[C@@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 857658596 KKBHTIZEHZFINS-FCLJQHQZSA-N 298.382 3.852 30 20 CHED C=CCC1(CN[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2O3)CCCC1 926540823 MPPGRPDDCQIKAV-XUWVNRHRSA-N 263.425 3.669 30 20 CHED C=CCC1(NC(=O)CSCCCC)CCCC1 855927429 NKYCRXWSZGKNMF-UHFFFAOYSA-N 255.427 3.525 30 20 CHED COc1ccc(CCC(C)=NOCC2CCC2)cc1 753821937 CXNNGCWVICMDDI-UHFFFAOYSA-N 261.365 3.820 30 20 CHED C#CCCCCNC(=O)NC(CC(C)C)CC(C)C 758743273 JUIJGRVDQMYFMI-UHFFFAOYSA-N 266.429 3.550 30 20 CHED C#Cc1cccnc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 853431897 MKLXPIGDFVFPFB-DGCLKSJQSA-N 282.309 3.844 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccc(F)cc1F)C(C)C 751889004 HAUGHHOYKZIGSF-GFCCVEGCSA-N 281.346 3.881 30 20 CHED Cc1ccc(C)c(COC(=O)c2ccc(CC#N)cc2)c1 758677745 KUWYXSYPQRJEEH-UHFFFAOYSA-N 279.339 3.727 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](CCO)c1ccc(Cl)cc1 926427412 FEMSVVJKTMXIJP-WFASDCNBSA-N 294.826 3.681 30 20 CHED COC[C@@H](N[C@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 926438174 HYTNUPXNCUZRLC-IUODEOHRSA-N 294.826 3.945 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)cs1)c1c(F)cccc1F 752172730 BJSFQPIKMYOPNG-MRVPVSSYSA-N 293.294 3.816 30 20 CHED CC(CC1CCCC1)=NNc1ccc(C(=O)O)cc1 752713001 IFAMBCMMPQVBJX-UHFFFAOYSA-N 260.337 3.753 30 20 CHED CCCn1nccc1/C=C/C(=O)c1cc(C)sc1C 853002644 RKGLSHNVYLRYHG-AATRIKPKSA-N 274.389 3.868 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(F)cc1O 850488183 LUDBDCOAQNZIQY-QGZVFWFLSA-N 298.361 3.686 30 20 CHED COc1ccc(C(C)(C)C)cc1NC(=O)C#CC(C)C 854177163 FLPBFZFVNOYEKX-UHFFFAOYSA-N 273.376 3.591 30 20 CHED COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)C#CC(C)C 854418187 LYCKNYIERXAABU-RDJZCZTQSA-N 299.414 3.654 30 20 CHED C[C@@H]1CCCCN1N=Cc1cccc(OCCCC#N)c1 853379842 LEKJFMHETABZFA-OAHLLOKOSA-N 285.391 3.577 30 20 CHED CC(CC1CCOCC1)=NNc1ccc(F)cc1C 750939136 VOVZIGAEMNPESJ-UHFFFAOYSA-N 264.344 3.739 30 20 CHED CCOc1cccc(/C=C2/CCc3scnc3C2=O)c1 863196866 XZCLQRWGNMZZSJ-WQLSENKSSA-N 285.368 3.754 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccccc1C 769744995 UWCQQNROWXAZTQ-BQYQJAHWSA-N 258.342 3.961 30 20 CHED CC(C)[C@H]1CCCCC1=NNc1nc(-c2ccncc2)no1 764690251 LZDCJCMPCFMMTR-CYBMUJFWSA-N 299.378 3.746 30 20 CHED Cc1cc(NN=Cc2c(Cl)oc3ccccc23)ncn1 761258865 MLCFTLINDBSKBX-UHFFFAOYSA-N 286.722 3.631 30 20 CHED C#CCCCC(=O)Nc1cnn(CCC(C)C)c1C(C)C 760528418 BVSARKPXRWRQLY-UHFFFAOYSA-N 289.423 3.795 30 20 CHED C=CCN(C(=O)[C@H]1CCO[C@@H](C(C)C)C1)c1ccccc1 936033728 JFFWAKGHLQLYPY-DOTOQJQBSA-N 287.403 3.657 30 20 CHED COCc1cccc(/C=C2/CCc3scnc3C2=O)c1 863196404 IEWHCSQAFVNZEE-JYRVWZFOSA-N 285.368 3.502 30 20 CHED CCOc1ccccc1/C=C1/CCc2scnc2C1=O 863197396 QHLYHTVWDOVTPF-XFXZXTDPSA-N 285.368 3.754 30 20 CHED CC#CCCOC(=O)c1cn(CCCC#N)c2ccccc12 769547678 WSRSIRSXGKUKNV-UHFFFAOYSA-N 294.354 3.515 30 20 CHED OC1CCC(=NNCc2ccc(-c3ccccc3)cc2)CC1 761809870 JIOISBVVUKUAAH-UHFFFAOYSA-N 294.398 3.734 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1cccc(C)c1 860198106 NJTHATZQJBFPNQ-ZDUSSCGKSA-N 259.349 3.929 30 20 CHED COc1ccsc1/C=C\C(=O)c1cccc(C)c1 764434133 LTZLRPYUSHGCHM-SREVYHEPSA-N 258.342 3.961 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(C(C)C)cc1 761346892 AVTOXWNJIFMWBU-UHFFFAOYSA-N 260.333 3.502 30 20 CHED C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(C#N)c(F)c1 777271451 YITXUJQCKFTALP-LLVKDONJSA-N 286.354 3.822 30 20 CHED CCOCCON=C1CCCOc2c(C)cc(Cl)cc21 774414298 FWBNGSNXGVVBLI-UHFFFAOYSA-N 297.782 3.578 30 20 CHED Cn1cc(C(=O)O[C@@H](C#N)C2CCCCC2)c2ccccc21 776368688 AVZQZIRHXNDDNA-KRWDZBQOSA-N 296.370 3.808 30 20 CHED C=CCN(C(=O)/C=C\c1ccc(Cl)cc1)C1CC1 771827409 HVUSZSCUBRHLMJ-YHYXMXQVSA-N 261.752 3.530 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)c1cccc(OCC)c1 779881463 LLAQXEWDGBOMLH-HNNXBMFYSA-N 287.403 3.846 30 20 CHED Cc1noc(C)c1CCON=Cc1ccc(Cl)cc1 774722307 JJIUSLHTTLLRJG-UHFFFAOYSA-N 278.739 3.538 30 20 CHED CC1(O)CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 772096733 LBGNHWVYLHYWCE-UHFFFAOYSA-N 298.308 3.683 30 20 CHED C#CCCCN[C@@H](c1cccnc1)c1cc2ccccc2o1 779397428 AFQIJPSHBWIMCF-IBGZPJMESA-N 290.366 3.920 30 20 CHED CC(CCc1ccco1)=NNCc1ccc(F)cc1 1116287857 BNYRGQLXRCVCFW-UHFFFAOYSA-N 260.312 3.517 30 20 CHED CCOc1ccc2c(c1)[C@H](/N=C\c1ccccc1O)CCO2 773909067 ZVAZUEOUSNRLQB-BKAYVGFPSA-N 297.354 3.734 30 20 CHED C#CCCOC(=O)c1ccc(Cl)cc1C(F)(F)F 770501464 OFKGKHGJUNUBOU-UHFFFAOYSA-N 276.641 3.539 30 20 CHED C=CC[C@H](C(=O)OCc1cscn1)c1ccccc1 778418297 LWGOFSOCBVYSLP-AWEZNQCLSA-N 273.357 3.546 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc2[nH]ncc2c1 779819338 RWRDNBGLFAPTGG-CYBMUJFWSA-N 256.353 3.787 30 20 CHED C[C@@H](CC(=O)OCc1ccc(CC#N)cc1)c1ccccc1 776114375 VTGSHRVVCVFWGX-HNNXBMFYSA-N 293.366 3.990 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)C1CCSCC1 777443143 QJIGBGCQGQSWSX-UHFFFAOYSA-N 294.811 3.538 30 20 CHED C=CCCCOC(=O)c1ccc(F)c(Cl)c1F 773552992 ORKUEGNUJKHJNC-UHFFFAOYSA-N 260.667 3.741 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1cncc(F)c1 773126884 WIKLPNPJSQVJCW-CQSZACIVSA-N 263.360 3.503 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC[C@H](O)c1ccc(C#N)cc1 775683142 UHMDRBCRIFNAGK-NJAFHUGGSA-N 286.419 3.540 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 776383538 UDBRBCBLNAIFLI-UONOGXRCSA-N 291.778 3.927 30 20 CHED N#Cc1ccnc(SCCSc2ccc(F)cc2)c1 776283137 MBVJJVQFOSQPOL-UHFFFAOYSA-N 290.388 3.977 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccc(F)cc1Cl)CC2 1559720722 RMXCREUVPGZTNW-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=CC(C)(C)CC(=O)OCc1cc(-c2ccco2)on1 884651517 PYNNXYNIUOQCHF-UHFFFAOYSA-N 275.304 3.580 30 20 CHED COc1ccc(C(C)=NOC2CCCC2)cc1F 774609259 VOLUPSPOMKLGPE-UHFFFAOYSA-N 251.301 3.518 30 20 CHED C[C@H](CNCc1ccc(C#N)cc1F)c1cccc(F)c1 772918464 LBBCXKJMQQBASO-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@@H](C)c1cccs1 1123599431 XVCUBVXMGHUZAP-LBPRGKRZSA-N 251.395 3.870 30 20 CHED CC(C)c1ccc(CNC(=O)c2ccsc2C#N)cc1 1124844497 XUWXGOCRFKQGOJ-UHFFFAOYSA-N 284.384 3.673 30 20 CHED Fc1cccc(F)c1NN=Cc1cc2ccccc2[nH]1 788428226 MUSOWRXNCHTLDY-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C=CC[C@@H](C)N[C@@H](c1ccccc1)C1CCOCC1 782773487 WEVBGCLKITXLSS-PBHICJAKSA-N 259.393 3.709 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1ccc(C)o1 783872536 GVIPYDQXWWUMNG-UHFFFAOYSA-N 285.343 3.738 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H]2CCCC[C@@H]2C)n1 783850679 WABRSQHKCBEVLK-GXSJLCMTSA-N 266.776 3.662 30 20 CHED C#CC[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 781555065 VORDNRGHEGMSGK-AWEZNQCLSA-N 289.762 3.806 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cnc2ccsc2c1 783889328 VXKBLDVROMCKJV-UHFFFAOYSA-N 288.372 3.783 30 20 CHED C/C=C(/C=C\C(=O)N[C@H]1CCc2cc(C#N)ccc21)CC 787844122 NYKOKOHPACJYFV-VLLISPLJSA-N 280.371 3.574 30 20 CHED CSC1(c2noc(-c3ccc(C#N)c(Cl)c3)n2)CC1 896782781 XDMYGNIMILLNJO-UHFFFAOYSA-N 291.763 3.614 30 20 CHED CC(C)[C@@H](Nc1cc(Cl)ccc1C#N)c1cnn(C)c1 896427007 FCEBECBDNAXTAS-OAHLLOKOSA-N 288.782 3.754 30 20 CHED CCc1nc2c(s1)C(=NNC1CCCCC1)CCC2 786042609 ZWHHENPUHNHBBG-UHFFFAOYSA-N 277.437 3.668 30 20 CHED C=C(C)CN[C@@H](C)c1ccccc1Br 88162703 QDDWCYVYXJZJNZ-JTQLQIEISA-N 254.171 3.676 30 20 CHED N#Cc1ccc(COC(=O)C=C2CCCC2)c(Cl)c1 784207829 IFBPIUOIALIMRW-UHFFFAOYSA-N 275.735 3.755 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1ccccc1O[C@@H](C)C#N 780148488 GIOQXWICCLRHQZ-KLDSGFLGSA-N 272.348 3.662 30 20 CHED C=C[C@](C)(CC)c1nc([C@H](C)OCC(F)(F)F)no1 896611060 MBHNELMLQCMCSR-GZMMTYOYSA-N 278.274 3.563 30 20 CHED Cc1cc(COC(=O)[C@@H](C)c2ccsc2)ccc1C#N 783744854 LWHOVBKZINXQGV-LBPRGKRZSA-N 285.368 3.775 30 20 CHED CC1(C)CCC1=NNc1ccc(C(F)(F)F)cn1 788950586 CTYNUTDTFMPHOT-UHFFFAOYSA-N 257.259 3.688 30 20 CHED Cc1ccc([C@@H](C)Nc2nc3ccccn3c2C#N)s1 782292077 XRMLSUOUUIIQBD-LLVKDONJSA-N 282.372 3.749 30 20 CHED O=C1C=CO[C@H](C(c2ccccc2)c2ccccc2)C1 98178178 KWFFZZPVKNKYJN-KRWDZBQOSA-N 264.324 3.690 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccccc1Br 276261388 BCXVBBPRYNWXRV-NSHDSACASA-N 281.197 3.573 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)Cc1cnccn1 793524711 HKYGMTFCCOZDMF-HUUCEWRRSA-N 261.413 3.522 30 20 CHED COc1ccc(CN(C)CC(C)(C)C#N)cc1C(C)(C)C 1205960651 XFTJIGJPRAMREO-UHFFFAOYSA-N 288.435 3.974 30 20 CHED C=CCN(CCc1ccc(OC)cc1)Cc1ccccc1 642099232 CQKFNUHPHREPMY-UHFFFAOYSA-N 281.399 3.926 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@@H](C)Sc1ccccc1Cl 791202276 HQTPHXBIWPMNHI-NEPJUHHUSA-N 295.835 3.739 30 20 CHED CC(C)=CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797573185 OPYCGHFVUNGMFL-JTQLQIEISA-N 262.378 3.583 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)C(F)(F)F 797404431 KLGBNUBGOFXFQS-UHFFFAOYSA-N 280.681 3.604 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C)CCCCC 798039322 GLLOAYFYLJOMGR-INMHGKMJSA-N 281.440 3.690 30 20 CHED COc1cc(C=NOCc2cccc(C)c2)cc(OC)c1 794728171 VPHJKIKBBBXRBK-UHFFFAOYSA-N 285.343 3.563 30 20 CHED CC1CCN(c2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cc2)CC1 799717176 JZUZPRLYMLMQIL-QZTJIDSGSA-N 297.446 3.705 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1ccnc(F)c1 794906378 RVXWPUAHXVXBLZ-UHFFFAOYSA-N 295.264 3.658 30 20 CHED C[C@H]1CC(=NNc2nccn2C)C[C@H](c2ccccc2)C1 790299954 KVYCGLXESYWEAS-UKRRQHHQSA-N 282.391 3.792 30 20 CHED N#Cc1ccccc1COC(=O)C(C1CCC1)C1CCC1 796931593 QCKQXYJGAALBCE-UHFFFAOYSA-N 283.371 3.818 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2CCCC[C@H]2CC)c1 793414922 ZJGRCVVPHODMJW-WBVHZDCISA-N 269.388 3.847 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(-c2ccsc2)nc1C 791205101 OAXFTYASMDUFBF-CQSZACIVSA-N 298.411 3.650 30 20 CHED C=CCCCCC[C@H](C)NCCC(=O)N1CCCCCC1 793529023 STMBWJDJMYGETL-KRWDZBQOSA-N 294.483 3.894 30 20 CHED CC[C@H](C#N)C(=O)NCC1CC(C)(C)CC(C)(C)C1 687973833 WLRCEGQNYJNGJN-CYBMUJFWSA-N 264.413 3.505 30 20 CHED C=CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C 768542392 SWOYKFGDVIDNCG-UHFFFAOYSA-N 268.744 3.645 30 20 CHED C=C(C)CCN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 775639212 OHGDAEQLAOGYQI-IAGOWNOFSA-N 277.383 3.680 30 20 CHED Cc1cnc(COc2cc(C)c(C#N)c(C)c2C)s1 795246288 UXJLNRORTCBGBX-UHFFFAOYSA-N 272.373 3.827 30 20 CHED CC(=O)c1ccc(OCCc2ccc(C#N)cc2)c(F)c1 1307301195 IFGGLKKOXZHUGZ-UHFFFAOYSA-N 283.302 3.521 30 20 CHED CC(C)(C)C1CCC(CNc2nccnc2C#N)CC1 1162754989 AJYJGTPJHAHHBN-UHFFFAOYSA-N 272.396 3.613 30 20 CHED CC(C)CC1CCN(Cc2cccc(C#N)c2)CC1 1167633876 GPEJLKBQFAFLNS-UHFFFAOYSA-N 256.393 3.816 30 20 CHED CC[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1CC1(C)C 1311103872 LIPRESVRZYMVBU-UONOGXRCSA-N 289.354 3.644 30 20 CHED Cc1ccc(NN=C2CCn3cccc32)cc1Cl 1317758485 FEQNPTZJOHRQIC-UHFFFAOYSA-N 259.740 3.670 30 20 CHED CCc1cc(N[C@@H](C)c2cccc(C#N)c2)nc(CC)n1 1164119731 GGHFIKXLVHHEAR-LBPRGKRZSA-N 280.375 3.646 30 20 CHED CCOc1ccc(C(C)=NOC(C)(C)C)cc1[N+](=O)[O-] 1323196239 FOPJTYRQCDXWOG-UHFFFAOYSA-N 280.324 3.533 30 20 CHED N#CCc1cccc(NCCCCOc2ccc(F)cc2)n1 1320359559 NWQZBNMPRGAJIK-UHFFFAOYSA-N 299.349 3.558 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCCCC1(F)F 1336758599 GRAZAVZFKIPFBW-OLZOCXBDSA-N 271.351 3.769 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc(N2CCCC2)c1 1336759747 OQHPGVQHPUMYSN-KRWDZBQOSA-N 298.430 3.858 30 20 CHED C[C@@H](C(=O)OCCc1ccc(C#N)cc1)c1ccsc1 1261585361 XKPLSSYZWDFJGD-GFCCVEGCSA-N 285.368 3.509 30 20 CHED C=C1CCN(C(=O)c2cc3ccccc3nc2Cl)CC1 1345895300 UXZIIHSEBPWBCJ-UHFFFAOYSA-N 286.762 3.680 30 20 CHED CCC1CCC(CNC(=O)c2cccc(C#N)c2C)CC1 1351193221 CCUBJLZKTAISJH-UHFFFAOYSA-N 284.403 3.813 30 20 CHED CCOCc1ccc(NC(=O)c2cc(C#N)ccc2C)cc1 1361188721 MPAWRSFMAINDCL-UHFFFAOYSA-N 294.354 3.656 30 20 CHED CCCCCCCn1cnc2c(C)csc2c1=O 222227226 ARFINHXRAGDSPR-UHFFFAOYSA-N 264.394 3.737 30 20 CHED CCN(CC)CCC[C@@H](C)Nc1ccc(F)cc1C#N 111026523 ASPVWGAJQSUPLI-CYBMUJFWSA-N 277.387 3.620 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCc1ccc(Cl)c(F)c1 1518546379 ATTREERKKASHDU-GFCCVEGCSA-N 296.773 3.562 30 20 CHED COc1cc(C)c(NC(=O)c2cc(C#N)ccc2C)cc1F 1529371738 XCTXODIJILQFFV-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C=C(Cn1c(CC)nnc1N1CCC[C@H]1C)c1ccccc1 1539767473 WBKNUZNXLHYKDC-OAHLLOKOSA-N 296.418 3.543 30 20 CHED CCCCCCCCC(=O)N[C@@H](C(=O)O)c1ccsc1 1605266619 IRHBPPZXVJZAIM-CQSZACIVSA-N 297.420 3.741 30 20 CHED CC[C@@H](C)Oc1cc(Oc2ccccc2C#N)nc(C)n1 1611734037 YBDKBKXUFFFYOG-LLVKDONJSA-N 283.331 3.626 30 20 CHED Cc1cc(C)cc(CNCc2cccc(F)c2C#N)c1 1621452486 WYIXGYAZDUUSFD-UHFFFAOYSA-N 268.335 3.604 30 20 CHED CC[C@@H]1CCC[C@@H](CNc2n[nH]c(C3CC3)c2C#N)C1 1560499182 QRNKAXMVBMTALB-VXGBXAGGSA-N 272.396 3.787 30 20 CHED N#Cc1cnc(N[C@H]2CCSc3ccccc32)c(F)c1 1641990537 LNEBWAFDYWRPHQ-ZDUSSCGKSA-N 285.347 3.741 30 20 CHED CN(C(=O)[C@H](C#N)CCc1ccccc1)[C@H]1CCC(C)(C)C1 1640041862 YJFZURVCNYVIIP-IRXDYDNUSA-N 298.430 3.796 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1ccc(F)cc1C#N 1653538494 APPCZTRJXCTQIJ-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED Cc1ccc(Cn2cc(C#N)c(=O)c3ccccc32)c(C)c1 1656265587 RYSSSXRJKNHFNC-UHFFFAOYSA-N 288.350 3.538 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)c(F)c2C)cc1C#N 1583713617 NIMCGQIUVWJQAW-UHFFFAOYSA-N 286.281 3.706 30 20 CHED COc1cc(CN2CCCCC[C@H]2C(C)C)ccc1C#N 1659211588 ZNFLJVQCIOWFOQ-KRWDZBQOSA-N 286.419 3.967 30 20 CHED C=CC[C@H](Sc1nc2cc(F)ccc2s1)C(=O)O 1588758752 JIIOASWRZFERDM-JTQLQIEISA-N 283.349 3.557 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1CC1(CC#N)CC1 1660269332 DRVGVOISLGQQOT-NVXWUHKLSA-N 268.404 3.948 30 20 CHED COc1ccc(NC(=O)C[C@H](C)CC(C)(C)C)cc1C#N 1597525169 GUMKXOXLJVVMER-LBPRGKRZSA-N 288.391 3.968 30 20 CHED CCC1(NC(=O)Nc2cc(F)cc(C#N)c2)CCCCC1 1672410281 LNVKRSNWBQJNNA-UHFFFAOYSA-N 289.354 3.932 30 20 CHED CCc1ccc(C=NNc2ccc(C(=O)O)c(F)c2)s1 1776074043 DPIXTWWOTSUJTL-UHFFFAOYSA-N 292.335 3.594 30 20 CHED Cc1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)cc1C 1777433865 FWVKUKUIUDYXMG-XQRVVYSFSA-N 286.352 3.959 30 20 CHED C=C[C@@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776076473 QDPWRDJYAVDQMP-SNVBAGLBSA-N 276.311 3.668 30 20 CHED N#Cc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1 12739913 QGYIYIULWNCVPJ-NTEUORMPSA-N 293.297 3.746 30 20 CHED CCS[C@@H]1CCC[C@@H](Nc2nc(C)ccc2C#N)C1 161713386 DAXMMOGCPPUDFC-ZIAGYGMSSA-N 275.421 3.738 30 20 CHED COc1cccc(/C=N/[C@@H](C)c2ccc(F)cc2F)c1O 5293522 FTICRWYCPIIKHM-XPAGJJBOSA-N 291.297 3.859 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CCC[C@@H](C)C2)s1 151977971 VIVDSWLADFUJHN-MNOVXSKESA-N 276.405 3.947 30 20 CHED C=CCC[C@@H](NC(=O)Nc1cc(C)on1)c1ccccc1 153295047 OWTYWTBHDVNRLS-CQSZACIVSA-N 285.347 3.812 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)CCC1CCCCC1 154903241 HADQQIHJIIOURP-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](N)[C@@H](C)C1 832737300 RIBYIDFSVQPYDI-HOTGVXAUSA-N 282.472 3.713 30 20 CHED COc1ccc(NCc2ccc(C#N)c(C)c2)c(F)c1 864033449 WXCSCPHHXCBSHA-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C#Cc1ccc(NCc2cnc(C3CC3)s2)cc1 898506610 WDHGQHGLZORUTR-UHFFFAOYSA-N 254.358 3.614 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 252413968 PWFOAPUHFSRCMB-KEKQHROYSA-N 270.351 3.934 30 20 CHED CCOc1ccccc1CNc1cccc(F)c1C#N 36138567 GENQSADALOFTCO-UHFFFAOYSA-N 270.307 3.708 30 20 CHED Cc1ccc([C@@H](O)COc2ccc(C#N)c(Cl)c2)cc1 190164089 AFQFPSRSZOZGDA-INIZCTEOSA-N 287.746 3.633 30 20 CHED CC#CCNC1(c2ccc(Cl)c(Cl)c2)CC1 309592650 HIRJLMNOLLEAGQ-UHFFFAOYSA-N 254.160 3.595 30 20 CHED Cc1nc(NC[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)cc1C#N 311753863 VKLSNATWHBCSQE-GVXVVHGQSA-N 275.783 3.763 30 20 CHED COc1ccc(F)cc1CNc1cccc(CC#N)c1 313478580 MGZHCBXDZDIMOE-UHFFFAOYSA-N 270.307 3.512 30 20 CHED N#Cc1c(Br)cccc1N1CCC2(CCC2)C1 357531115 NYKRRWSVJRDXHG-UHFFFAOYSA-N 291.192 3.701 30 20 CHED C=CCCC(C)(C)CNCc1ccc(C(=O)O)s1 703928817 MKKCNFWDWCCSOS-UHFFFAOYSA-N 267.394 3.528 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cccc2ccsc12 362300722 NOGVDWBWRPCTIR-LLVKDONJSA-N 272.373 3.523 30 20 CHED Cc1cscc1C(=O)Nc1ccc(Cl)cc1C#N 695706525 YKWYKXXAMTUTHE-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=C(C)CSc1nc(N)c2c(C)c(C)sc2n1 123058 KGEVQWWPMKPQOK-UHFFFAOYSA-N 265.407 3.559 30 20 CHED aggregator CC#CCCCC(=O)Nc1nc2c(C)cccc2s1 6262185 QMDCYEXLMRKYNH-UHFFFAOYSA-N 272.373 3.737 30 20 CHED C=CCCCSCCC(=O)Nc1ccc(F)cc1 117944416 GMIZOWHQVSXZQN-UHFFFAOYSA-N 267.369 3.854 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@@H]1c1ccccc1 345770769 LXLFIEBPHNBGDJ-QGZVFWFLSA-N 266.319 3.644 30 20 CHED C[C@H](c1cccs1)N(C)c1cccc(F)c1C#N 105990214 JJCCRGUSBKZDIT-SNVBAGLBSA-N 260.337 3.956 30 20 CHED Cc1cccc(C(C)(C)CNC(=O)c2sccc2C#N)c1 52033440 OVKLSWJVYIOYRZ-UHFFFAOYSA-N 298.411 3.636 30 20 CHED Cc1ncccc1CNc1cccc(OCCCC#N)c1 114764082 VXWGFLSWIAMNCX-UHFFFAOYSA-N 281.359 3.685 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1-c1nc(C(C)C)no1 116849982 BYSNSQPYQVIEJN-LBPRGKRZSA-N 299.374 3.554 30 20 CHED COc1ccc(C#N)cc1COc1cccc2ncccc12 179964301 GLIUJIGRCMCGRE-UHFFFAOYSA-N 290.322 3.694 30 20 CHED Cc1c(C#N)cccc1NCc1cnc(Cl)s1 179286229 SYTLBYOBXCRHDB-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CC(C)(C#N)CCN1CCC[C@H](Nc2ccccc2)C1 119983814 HNEMRKIVYHJBHE-INIZCTEOSA-N 271.408 3.503 30 20 CHED C=C(C)CN[C@@H](C)c1cccc(OCc2ccccn2)c1 179697101 WAMCYKILXIULGK-HNNXBMFYSA-N 282.387 3.887 30 20 CHED CN(C(=O)CCc1ccc(C(C)(C)C)cc1)C1(C#N)CCC1 67683544 DDVIGZNWPJTKKL-UHFFFAOYSA-N 298.430 3.821 30 20 CHED C=CCCC(=O)N(CC(F)F)c1cccc(Cl)c1 176932980 AKJZHICWRWWTBQ-UHFFFAOYSA-N 273.710 3.904 30 20 CHED N#CC1(CC(=O)NCCCc2ccsc2)CCCCC1 1350055880 BXZPLIAKZIGAHH-UHFFFAOYSA-N 290.432 3.661 30 20 CHED Cc1ccc(C#N)c(NCc2ccc(Cl)cc2F)n1 302371567 AHKURKOIUXIBHA-UHFFFAOYSA-N 275.714 3.666 30 20 CHED CC[C@H](F)C(=O)Nc1ccccc1S[C@H](C)CC#N 1357898908 RXTALEMSXVQIEY-MNOVXSKESA-N 280.368 3.767 30 20 CHED C=CCCCSc1nnc(-c2ccc(F)cc2)n1C 117547529 JBYQLRSAYXYXTN-UHFFFAOYSA-N 277.368 3.680 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)NCc1ccc(C#N)cc1 177211028 KHMIYGJHQQKLMY-UHFFFAOYSA-N 287.407 3.572 30 20 CHED C=CCC[C@@H](Nc1ncc(C)cn1)c1ccccc1 301829246 GSKICXZPGKLWTE-OAHLLOKOSA-N 253.349 3.904 30 20 CHED C=CCN1CCC(N[C@H](C)c2cccc(C)c2C)CC1 177905956 CDTSWIZFNADAPI-MRXNPFEDSA-N 272.436 3.604 30 20 CHED Cc1ccc([N+](=O)[O-])cc1Oc1nc(Cl)c(C#N)s1 312085061 VWRMOCCQCXXIGC-UHFFFAOYSA-N 295.707 3.677 30 20 CHED CCc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)sc1C 26115984 BCLPKKIXNWRPMC-NSHDSACASA-N 298.411 3.982 30 20 CHED CC1(C)[C@H]2CN(c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21 301436897 HOGXTVCRGOEXBA-RYUDHWBXSA-N 280.293 3.669 30 20 CHED COc1ccc(C)cc1CCNc1ccc(C#N)cc1 301094534 OVUXAPYWFHZTPT-UHFFFAOYSA-N 266.344 3.530 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCCC23CCCC3)n1 602673655 AIYYPCIQOVGKGZ-MRXNPFEDSA-N 269.392 3.546 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(O)c(F)c1)C2=O 121187132 SBZVSIUFCZBDJG-KPKJPENVSA-N 268.287 3.662 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 183355813 XWEPSUBZDAHMSY-IAGOWNOFSA-N 293.451 3.855 30 20 CHED C=CCC[C@H](CC)Nc1cccc2c(=O)n(C)ccc12 502365245 KIEMFWFWEFIWQW-ZDUSSCGKSA-N 270.376 3.695 30 20 CHED CC[C@H](C#N)Oc1cccc(CNC[C@@H]2CC=CCC2)c1 123014143 FWPNRHJDVPFPKQ-NVXWUHKLSA-N 284.403 3.813 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1C)c1nc(C)cs1 186327974 XWPUYPNCNNVAPS-HNNXBMFYSA-N 285.416 3.873 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 185970196 VSYXLBHPUABIMV-XYJFISCASA-N 284.403 3.830 30 20 CHED N#Cc1ccc(CN(Cc2cccc(O)c2)CC2CC2)s1 123275925 ZRRLBIHEBQSADZ-UHFFFAOYSA-N 298.411 3.738 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)s2)cc1 37505759 OSBADIITOHMOMM-UHFFFAOYSA-N 262.765 3.563 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(C)cc1OCC 188506636 YEBRKHOTQONMPF-KRWDZBQOSA-N 275.392 3.612 30 20 CHED CCCOc1cccc(CNCc2cccc(C#N)c2)c1 37997038 ARFNGVRFOOYFAU-UHFFFAOYSA-N 280.371 3.637 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Cl)ccc1C 410122726 MYIGJKFNGLJQOK-GFCCVEGCSA-N 251.757 3.733 30 20 CHED CCC(CC)[C@H]1C[C@@H](NCC(C)(C)CCC#N)CCO1 180374793 SHQABRSMRQINLP-JKSUJKDBSA-N 280.456 3.890 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1NCCCC(F)(F)F 413165508 HEDGJULIMMTPMV-UHFFFAOYSA-N 297.202 3.726 30 20 CHED C=C(C)[C@@H](NC(=O)CCCCOC)c1ccc(F)c(F)c1 186045699 NRUBOADTIGYZNS-MRXNPFEDSA-N 297.345 3.515 30 20 CHED CSc1cc(C)ccc1NC(=O)CC(C)(C)C#N 413892924 GKSQJROACZZLMW-UHFFFAOYSA-N 262.378 3.595 30 20 CHED N#Cc1c(Cl)cccc1SC[C@@H]1CCCC[C@@H]1O 412996945 GHUGLBAERYKPAS-GWCFXTLKSA-N 281.808 3.855 30 20 CHED O/C(=N/C1Cc2ccccc2C1)Nc1scnc1C1CC1 329542530 DWYFURSTWCNXER-UHFFFAOYSA-N 299.399 3.514 30 20 CHED CC[C@H](C)n1ncc(N=C(O)c2conc2C2CC2)c1C 329576458 OHOHRCKJFKKSQA-VIFPVBQESA-N 288.351 3.664 30 20 CHED Cc1ccc(N/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)nc1 329567233 PCSIOUUFBXSSKS-MELADBBJSA-N 273.380 3.685 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@H]1C1CCCC1 44368486 GQWPQYLBEYJMQN-KRWDZBQOSA-N 284.403 3.592 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@H]2C2CCCCC2)c1 84084633 SWWVFHGVESPYJK-AWEZNQCLSA-N 288.416 3.805 30 20 CHED C[C@@H]1CC(=O)CC[C@H]1C(O)=Nc1cnc2c(c1)CCCC2 329452946 MKBSUXSATPDBNT-IAQYHMDHSA-N 286.375 3.554 30 20 CHED C=CCc1cc(CN(C)C[C@@H](C)CC)cc(OC)c1O 509391534 YWBQFTUGUBQVLS-ZDUSSCGKSA-N 277.408 3.607 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)c1ncc(C#N)cc1F 413295910 HGVCFYMPGVVNPT-HNNXBMFYSA-N 299.349 3.688 30 20 CHED C=C(C)CCc1noc(Cc2ccc(OCC)cc2)n1 508637760 OXEPZMORXJSNES-UHFFFAOYSA-N 272.348 3.568 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(C#N)c2)CC1 328326186 GLQVIGSGRGCMJM-JOCQHMNTSA-N 281.359 3.585 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Cl 43146639 UBMLXHBXIXFDAR-UHFFFAOYSA-N 299.761 3.876 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCCOc3c(Cl)cccc32)C1 424320049 FMHMXJIUINVDAF-YWPYICTPSA-N 290.794 3.836 30 20 CHED C#CCCCC(=O)Nc1ccc(Cl)c(OC(F)F)c1 192171049 NTMHNAKTPDTPJE-UHFFFAOYSA-N 287.693 3.683 30 20 CHED CC1(C)CC[C@H](C(O)=Nc2ccc3c(c2)C(O)=NC3)C1 329685592 AIWNYDYGOPZLRB-JTQLQIEISA-N 272.348 3.919 30 20 CHED CC1(CNC(=O)[C@H](C#N)CCc2ccccc2)CCCCC1 426284016 SKYBOJVXDMMCDF-KRWDZBQOSA-N 298.430 3.846 30 20 CHED C[C@H](C#N)CN(C)C(=O)CCCCCc1ccc(F)cc1 426639605 OGAIHGJBYUAHCL-CQSZACIVSA-N 290.382 3.547 30 20 CHED Cc1nnccc1N=C(O)[C@@]1(C)CCc2ccccc2C1 329433088 LBBUNJWQTMHFRI-KRWDZBQOSA-N 281.359 3.568 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@H]2F)c(Br)c1 382107615 JBBLDEOZQGHONF-PWSUYJOCSA-N 283.144 3.623 30 20 CHED C#CCCCC(=O)N[C@@H](CC)c1cccc(Cl)c1 192071237 AGTKDTJRLUILSV-AWEZNQCLSA-N 263.768 3.711 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(C)cc(C)cc1C 193269766 YJPVUOCAHSHJOS-UHFFFAOYSA-N 258.365 3.818 30 20 CHED C=CCN(C(=O)c1scnc1CC)c1ccccc1 137117630 NFTTVKBNVJCION-UHFFFAOYSA-N 272.373 3.538 30 20 CHED C=CCc1ccccc1OC(=O)c1ccc(C#N)cc1 48526988 MQTJIGSPEOFICL-UHFFFAOYSA-N 263.296 3.506 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(C(=O)O)cc1)c1ccccc1 190599407 NZWDUQRJEWRLRV-CYBMUJFWSA-N 295.338 3.683 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@]23CCC[C@@H]2C3)c1 421474343 WWALKBQZLFXSMG-DYVFJYSZSA-N 271.360 3.770 30 20 CHED N#CCC1CCN(Cc2csc(-c3ccoc3)n2)CC1 516802894 HSYFOGBNAYASOG-UHFFFAOYSA-N 287.388 3.529 30 20 CHED Cc1ccsc1/C(O)=N/[C@](C)(C#N)CC(C)C 330754619 FKCKQMMVCUAKIU-ZDUSSCGKSA-N 250.367 3.690 30 20 CHED Cn1c(C2CC2)nc2cc(N[C@@H]3CC[C@H](C#N)C3)ccc21 333076539 LFUBFPMKGDXXLB-WCQYABFASA-N 280.375 3.555 30 20 CHED Cc1cc([N+](=O)[O-])c(C)cc1N/C(O)=N/C1(C)CCCC1 331040411 CBJNSKBVTLGJBB-UHFFFAOYSA-N 291.351 3.870 30 20 CHED Cc1cccnc1C(=O)Nc1ccccc1SCCC#N 426282353 HUUCFJUTQRUFEF-UHFFFAOYSA-N 297.383 3.648 30 20 CHED CC(C)Oc1ccccc1NCc1ccccc1C#N 98041195 SPLAFZLYKMZENS-UHFFFAOYSA-N 266.344 3.958 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(C#N)c(Cl)c1 336090331 CQUKQCVPJIYSPC-UHFFFAOYSA-N 295.729 3.644 30 20 CHED Cc1cc(C)c(N/C(O)=N/C[C@@H]2CC=CCC2)c(C)n1 331249212 XMLILRLZBYYRIY-CQSZACIVSA-N 273.380 3.689 30 20 CHED C=CCCCCNCc1cc(Cl)ccc1OC 383464507 NJQDSBLOLCDKQG-UHFFFAOYSA-N 253.773 3.795 30 20 CHED C=CCN(CCc1ccccc1)CCc1ccccc1 143011365 KMVZDYQQHDMDHN-UHFFFAOYSA-N 265.400 3.960 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccn1 339237396 UAYIZDWCHNLGQM-MRXNPFEDSA-N 293.370 3.670 30 20 CHED CN(C(=O)NCC(C)(C)CCC#N)C1CCCCCC1 513114164 XSLIYNILORBHRH-UHFFFAOYSA-N 279.428 3.681 30 20 CHED CC[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 91929531 DONKLUOCWDISMT-HNNXBMFYSA-N 272.392 3.601 30 20 CHED N#Cc1sc(NCCc2ccc(Cl)cc2)nc1Cl 236057570 GTNPAWCEMZNTKA-UHFFFAOYSA-N 298.198 3.976 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCCC)CCCC 437933909 OKIDCWHTACLDIC-CVEARBPZSA-N 296.455 3.579 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/C[C@H]1C[C@H]2CC[C@H]1C2 330037463 ZFDWHSIMGALGKI-MELADBBJSA-N 288.391 3.676 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N2CCCC3(CC3)C2)c1C 330123386 KXGWVXADLQPVQJ-GFCCVEGCSA-N 290.411 3.584 30 20 CHED Cc1c(F)ccc(Cl)c1C(=O)N[C@H]1CC[C@@H](CC#N)C1 334563075 HKAIAKKDNHQEIT-QWRGUYRKSA-N 294.757 3.600 30 20 CHED CCOc1ccc2c(c1)CCN(c1ccc(F)cc1C#N)C2 433530358 YIOINPNEVOGECW-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C[C@@H]1CC[C@@H](c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)O1 528235223 IPZFVITXYAEHND-RISCZKNCSA-N 295.342 3.532 30 20 CHED CC1(C)CCCN(C(=O)c2sccc2C2CC2)[C@@H]1C#N 434032962 UTFIALYGCBLPLR-CYBMUJFWSA-N 288.416 3.780 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1cc(C#N)cs1 438479779 PSNZGXXXTYYSPV-NSHDSACASA-N 276.327 3.686 30 20 CHED CC1(C)CN(c2nccc(C#N)c2Cl)[C@@H]1c1ccncc1 431511149 JZKBQRBESVHEGP-CQSZACIVSA-N 298.777 3.589 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc3c(c2)CCC3)no1 528194788 DBDLGSSRGFLNLD-UHFFFAOYSA-N 281.359 3.807 30 20 CHED N#Cc1ccnc(SCc2ccc(C(F)(F)F)cn2)c1 340677983 PKPDPXXCNVNFMQ-UHFFFAOYSA-N 295.289 3.659 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C 529478547 KGJSCRYVBBCYNT-HZPDHXFCSA-N 298.430 3.872 30 20 CHED C=C(CC)CN(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 520590113 SBVKQMFBVKPMEI-INIZCTEOSA-N 292.492 3.776 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 437911452 OIYGADDGMRLCFD-IIDMSEBBSA-N 295.467 3.936 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(C)ccc1OC 432491601 HIDANIPTUZLGIW-UHFFFAOYSA-N 276.380 3.727 30 20 CHED N#C[C@@H](CO)Cc1cccc(-c2ccc(OC3CC3)cc2)c1 527588022 ITYATFRIOAXJRK-HNNXBMFYSA-N 293.366 3.569 30 20 CHED C=CCN(CC=C)C(=O)c1cc2cc(C)ccc2nc1C 248343136 ZTNNUZAFQYIKQF-UHFFFAOYSA-N 280.371 3.666 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@H]1c1ccccc1 245412637 ATTZRAPHAGZPSE-FZKQIMNGSA-N 280.346 3.890 30 20 CHED N#Cc1cccc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)n1 602644238 LFNGZXZCADAWKM-ZBFHGGJFSA-N 295.361 3.518 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Cl)ccc1OC(C)C 522645553 ZQQHVKPTQWRKSI-LLVKDONJSA-N 281.783 3.822 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC1CC1)c1ccc(Cl)cc1 345275118 FAQCRADQVQNEAS-RHSMWYFYSA-N 293.838 3.955 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccco2)s1 430631620 VMCRAMCGNQKXBJ-VIFPVBQESA-N 274.345 3.524 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CC[C@H](Cc2ccccc2)C1 435739238 FPZDWNUIUDVHTR-ZRNYENFQSA-N 299.458 3.969 30 20 CHED CC(C)N(C)c1ccccc1CNCc1ccc(C#N)cc1 438330897 NBVZXZMTNFKFSA-UHFFFAOYSA-N 293.414 3.693 30 20 CHED Cc1cc(CN2CCc3c(C)cccc32)ccc1C#N 600848942 JQCIZJJACWYWJC-UHFFFAOYSA-N 262.356 3.738 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N(C1CC1)C1(C#N)CCC1 602316940 WLBGMROPCGQVNI-HNNXBMFYSA-N 296.414 3.611 30 20 CHED COc1cc(C#N)ccc1CN1Cc2cccc(Cl)c2C1 347446346 IFBJXUOMVOYALE-UHFFFAOYSA-N 298.773 3.736 30 20 CHED C[C@H](C#N)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 346851179 VILLOKNGBNQKAB-SNVBAGLBSA-N 292.766 3.617 30 20 CHED N#Cc1ccc(C=NNc2nc3ccccc3s2)cc1 252604096 FWICIRTZVWMIOM-UHFFFAOYSA-N 278.340 3.614 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(N(C)C(C)C)c1 435679729 BURZJJKCXYLBNC-UHFFFAOYSA-N 297.358 3.557 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1c(F)cccc1SC 346286337 YYXQZWVSKCALAZ-LLVKDONJSA-N 296.411 3.702 30 20 CHED C=C(C)CN(C)c1c(C#N)cnc2c(F)c(F)c(F)cc12 342937703 HWPSRRLCFIZWPA-UHFFFAOYSA-N 291.276 3.536 30 20 CHED C[C@H](CCC#N)CNC[C@@H]1CCCN1CC1CCCCC1 602535484 OEGSYUHNTNFBHB-AEFFLSMTSA-N 291.483 3.561 30 20 CHED N#CCN(Cc1csc(C2CCCCC2)n1)C1CC1 299570107 UNYWAEKGGBDDHL-UHFFFAOYSA-N 275.421 3.679 30 20 CHED CSc1ccc(C(=O)/C=C\c2cncs2)cc1 255918934 HTDYRNPKVSITIX-SREVYHEPSA-N 261.371 3.761 30 20 CHED CCC[C@H](C#N)NC(=O)CCc1ccc(C(C)C)cc1 608816463 PJFSSVJYBLUGJU-MRXNPFEDSA-N 272.392 3.551 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1CCC(C)C 358801023 BYPLDNQHGSSTRZ-OAHLLOKOSA-N 276.428 3.568 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H](C)c2ccccc2)n1 253490830 KDPZFDCCBKJNGU-NSHDSACASA-N 269.373 3.818 30 20 CHED C=CCN(Cc1cncc(C)c1)CC1CCCCC1 442677864 INCOIBRHDLIRSL-UHFFFAOYSA-N 258.409 3.958 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cc1 255357354 ATTVRXNMHWGNNG-DAXSKMNVSA-N 274.266 3.875 30 20 CHED C=CC[C@@H]1N(C[C@@H]2CC[C@H](C)O2)CCCC1(C)C 444784183 MXXPSJISSQOWQT-KKUMJFAQSA-N 251.414 3.621 30 20 CHED COC[C@H](CNC[C@@H](C)CCC#N)c1ccc(Cl)cc1 602676480 QNELQJSRVNJZIP-ZFWWWQNUSA-N 294.826 3.599 30 20 CHED C=C(CC)CS[C@@H]1CCN(c2c(F)cccc2F)C1=O 537993299 RMUZTCPYEVRFOB-CYBMUJFWSA-N 297.370 3.770 30 20 CHED C=CC(C)(C)C(=O)N[C@H](CCC)Cc1ccccc1 448899865 ZBQZMJSGAJIHEH-OAHLLOKOSA-N 259.393 3.726 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc2c(Cl)cccc2s1 608815463 ZTWNVGUTWMKULF-VIFPVBQESA-N 292.791 3.977 30 20 CHED CC(C)(C)[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CS1 449734201 AJHBBKMAUMZYSM-UKRRQHHQSA-N 292.423 3.707 30 20 CHED Cc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1Br 442859779 REWOGUMJAWMMAI-AAEUAGOBSA-N 293.208 3.539 30 20 CHED CC1(C2CC2)CCN(c2nccc(C#N)c2Cl)CC1 357578048 FLGZGFNCJZBRDD-UHFFFAOYSA-N 275.783 3.623 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc2ccccc2[nH]1 610619745 SSZVBOGNIOBMRS-UHFFFAOYSA-N 275.355 3.672 30 20 CHED C=CCN(C(=O)[C@@H](C)CSc1ccccc1)C1CC1 357508597 AIOCDIQPNZKPOI-ZDUSSCGKSA-N 275.417 3.592 30 20 CHED C=CC(C)(C)C(=O)NCCc1csc2ccccc12 448728588 HQLURXPRPAHZLL-UHFFFAOYSA-N 273.401 3.772 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 610280474 RADOQYBFHPHUMM-IAGOWNOFSA-N 293.326 3.609 30 20 CHED C[C@@H](CCN1CCC(CC#N)CC1)OCc1ccccc1 530505257 WOCXFGHTZFXCJX-INIZCTEOSA-N 286.419 3.607 30 20 CHED CC(C)(C)OCc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 442774963 DQVZIVPZIKEINY-RHSMWYFYSA-N 286.419 3.784 30 20 CHED C=C[C@@H](Nc1ccc2nc(C(C)C)sc2c1)C(=O)OC 619700790 MDMOPHLBVUJXPG-LLVKDONJSA-N 290.388 3.559 30 20 CHED Cc1ccnc(CSCCOc2cccc(C#N)c2)c1 616298406 SVNAOGGXDZGXJY-UHFFFAOYSA-N 284.384 3.574 30 20 CHED Cc1ccc(Br)cc1CN[C@@H]1CC[C@@H](C#N)C1 442871114 VZVKBBDYXBXCAM-BXUZGUMPSA-N 293.208 3.539 30 20 CHED C=C(C)CN1CCC(Nc2ncccc2C(F)(F)F)CC1 264449563 COQMXLAOUQZVIQ-UHFFFAOYSA-N 299.340 3.553 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)C1Cc2ccccc2C1 538371371 PNPHULQBRUNGHJ-AWEZNQCLSA-N 286.419 3.540 30 20 CHED COc1cc(C)c([C@@H](C)N2CCC[C@@](C)(C#N)C2)cc1C 614963958 PEVXBQIUXDDTNE-QAPCUYQASA-N 286.419 3.999 30 20 CHED C=CCN(C(=O)c1ccc(C2CCC2)cc1)[C@@H](C)COC 617582049 FMLCTVQBJDWEHM-AWEZNQCLSA-N 287.403 3.617 30 20 CHED C=C(C)CCNC(=O)NCc1ccc(C)cc1OC(C)C 454654679 JLIXRLHMOWYWRO-UHFFFAOYSA-N 290.407 3.548 30 20 CHED N#Cc1cccc(CN(C2CCCC2)C2CC2)c1F 535822927 YQEGSOXYSGCQPZ-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC)C1CCCC1 459095762 ILPUBQFWUQPRES-AWEZNQCLSA-N 252.402 3.563 30 20 CHED CC(=O)Nc1ccc(C)cc1OCc1ccc(C#N)cc1C 614392482 QDFNRAHFOPDBQE-UHFFFAOYSA-N 294.354 3.713 30 20 CHED CCCN(CC(C)C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618841943 DMOQWQNKTIXDRI-KRWDZBQOSA-N 299.418 3.623 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1cccc(CC#N)c1 455908036 QMSIQOWSVODZAO-SUMWQHHRSA-N 285.391 3.843 30 20 CHED C=CCC1(C(=O)NCC2(C(F)(F)F)CCC2)CCCC1 451737024 GINZJVMKQPXUKY-UHFFFAOYSA-N 289.341 3.972 30 20 CHED C=C(CC)CNC(=O)Nc1c(CC)cccc1CC 454216418 OCVIEENSQCDJOJ-UHFFFAOYSA-N 260.381 3.899 30 20 CHED CC(C)(C#N)CCCCN1CCO[C@H](c2ccccc2)C1 278219326 UHNWDHXFQUULRI-KRWDZBQOSA-N 286.419 3.780 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCC1CCCC1 454531914 UFAGMVRMZFZKFC-UHFFFAOYSA-N 298.430 3.823 30 20 CHED N#Cc1ccc(OCCNc2ccc(C3CC3)cc2)cc1 611305627 QFARLSPAAHUCNN-UHFFFAOYSA-N 278.355 3.927 30 20 CHED CC(C)N(CCCOC(C)(C)C)Cc1ccc(C#N)cc1 610681428 UWPWWFGAPRJKQQ-UHFFFAOYSA-N 288.435 3.974 30 20 CHED CC(C)Oc1c(Cl)cccc1NC(=O)NCCCC#N 273220513 NQLPYVUSTXWQNU-UHFFFAOYSA-N 295.770 3.552 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 612251731 RTKOWUBSVWEBCO-BVIKNXMNSA-N 288.435 3.745 30 20 CHED CC[C@H](N[C@H]1CCc2c(O)cccc21)c1ccc(C#N)cc1 278358931 BHNHSVPQDCCLRH-ROUUACIJSA-N 292.382 3.992 30 20 CHED Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1F 618741235 CGURSCOGAUVSRP-GOSISDBHSA-N 280.346 3.783 30 20 CHED C[C@@H](NC(=O)N1CC[C@H](C(C)(C)C)C1)c1cccc(C#N)c1 612134235 ZEUDKWKEFKBWRX-CJNGLKHVSA-N 299.418 3.697 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OC(C)C)cc1 454488169 VUGGBXRBHYJVEW-UHFFFAOYSA-N 276.380 3.808 30 20 CHED C=CCCC1(c2nc(C3(OC)CCCCC3)no2)CC1 453240662 OHCOTLYBJOQBCD-UHFFFAOYSA-N 276.380 3.873 30 20 CHED C=CC[C@@H](CC)NCc1cc(Cl)c(O)c(OCC)c1 459531470 MONOVOHECIIEBK-GFCCVEGCSA-N 283.799 3.889 30 20 CHED C=CCCc1noc(-c2sc(C(F)(F)F)nc2C)n1 453236219 MUSJIDVUVDDQJK-UHFFFAOYSA-N 289.282 3.639 30 20 CHED CCC1(CC)CN(C(=O)[C@@]2(C#N)C[C@H]2C)c2ccccc21 450204318 JFMHOGPQGKGJBO-FZKQIMNGSA-N 282.387 3.641 30 20 CHED CC(C)[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@H]1C(C)C 456304973 WUUZAUFQIAFWIJ-MJGOQNOKSA-N 298.430 3.630 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(OC)c2ccccc12 628927549 XELBOEZMOAZFJB-CYBMUJFWSA-N 299.370 3.768 30 20 CHED Cc1ccnc(N2Cc3ccccc3C(C)(C)C2)c1C#N 542207814 ALDZKLHFSQXGLR-UHFFFAOYSA-N 277.371 3.560 30 20 CHED C=CCC(CC=C)c1nc([C@@H]2CCCS2)no1 274087068 GUNFDWMLTVRNGZ-NSHDSACASA-N 250.367 3.874 30 20 CHED C=CCC1(C(=O)N[C@H](C(C)C)[C@H](CO)C(C)C)CCCC1 452908023 DCQNFIIQWGSZPS-HZPDHXFCSA-N 295.467 3.528 30 20 CHED C=C[C@@H](CC(=O)N1CCOC2(CCCC2)C1)c1ccccc1 270446084 ZTDAPMSIUGPYGP-INIZCTEOSA-N 299.414 3.518 30 20 CHED C=CC[C@H](C(=O)NC[C@@H](CCC)OCC)c1ccccc1 628343755 NGHCSKPJXWKDOO-SJORKVTESA-N 289.419 3.668 30 20 CHED COc1cc(C#N)ccc1NC(=O)C1CCC(C)(C)CC1 547418016 XHTHPHKNFAGUNH-UHFFFAOYSA-N 286.375 3.722 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C)cc1OC 548033282 QWBCXXNBSAEURB-UHFFFAOYSA-N 295.382 3.832 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1cc(F)ccc1OC 546657537 YVTOHWZEXBAPOQ-WCQYABFASA-N 294.370 3.549 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1N(C)CCC 627096505 AKMHADQDDBBFTQ-ZDUSSCGKSA-N 275.396 3.619 30 20 CHED C[C@@H](C(=O)N1CCC[C@@H]1C1CCCC1)c1cccc(C#N)c1 461930998 KMHYQLVWZRCKKM-RDTXWAMCSA-N 296.414 3.843 30 20 CHED C=CCCN(C)C(=O)NCCCc1ccc(C(C)C)cc1 467014231 NHTSEFSUCBUUPT-UHFFFAOYSA-N 288.435 3.960 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)/C=C/Sc1ccccc1 274316188 JHDBUSBCHSGWJC-OFAQMXQXSA-N 288.416 3.737 30 20 CHED C=CCCCC(=O)N1CCC(CCCN(CC)CC)CC1 541165409 RJNFMFZRKYMMJU-UHFFFAOYSA-N 294.483 3.703 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC1CCC2(CCOCC2)CC1 371448638 SBXQAKQPRXZCHK-HUUCEWRRSA-N 265.441 3.916 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(-c2ccccc2)no1 461798783 CNMNYPXCOMNJMR-GFCCVEGCSA-N 275.311 3.760 30 20 CHED Cc1cc(C)cc(N(C)C(=O)[C@H](C)c2cccc(C#N)c2)c1 463464095 ZLEGFHQYLBRNJD-OAHLLOKOSA-N 292.382 3.942 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](C)C2(CCC2)C1 466328035 QCLAASNYDGIOAL-KGLIPLIRSA-N 264.413 3.563 30 20 CHED CC[C@@H](C(=O)N(CCC#N)CCC(C)C)c1ccccc1 468324060 QXZCJTDWVLONKA-QGZVFWFLSA-N 286.419 3.969 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC1CC(OCC)C1 285848841 CRSALQXFRQUCHG-UHFFFAOYSA-N 286.419 3.585 30 20 CHED C=C[C@H](C)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 465115893 QBLJDZZHZZQBLG-MNOVXSKESA-N 285.309 3.890 30 20 CHED C=C(C)CN1CCC(NC(=O)[C@@H](CCCC)C(C)C)CC1 621858807 FTVOKVMLPRGZOO-KRWDZBQOSA-N 294.483 3.606 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N[C@@H](C#N)C(C)C 464298930 XBPGOVQFWPPNBH-HOTGVXAUSA-N 278.440 3.893 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(F)cc2F)no1 551480869 WFLJQBKONHDDFG-UHFFFAOYSA-N 272.201 3.683 30 20 CHED N#Cc1cccc(C2(NC[C@H]3C[C@H]4CC[C@H]3C4)CC2)c1 551230261 SGVYJCMYQBZQFJ-CWRNSKLLSA-N 266.388 3.573 30 20 CHED CC(C)(C#N)CCN1CCc2ccccc2C1(C)C 554086198 HKKTUCQPVYTWAC-UHFFFAOYSA-N 256.393 3.720 30 20 CHED Cc1c(C(=O)NC2CC(C)C2)sc2ccc(C#N)cc12 551361292 MDATUUMHEMIZIQ-UHFFFAOYSA-N 284.384 3.610 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)N[C@](C)(C#N)C(C)(C)C 464159118 QPSIANCIMIYUIH-SUMWQHHRSA-N 294.439 3.559 30 20 CHED C=C(C)Cn1c(C)nnc1N(CC1CCCCC1)C1CC1 460585828 RBUJOKMUGHLYQQ-UHFFFAOYSA-N 288.439 3.712 30 20 CHED C#CCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1 287016364 RABJSXHBASEADG-UHFFFAOYSA-N 270.351 3.510 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](c1ccccc1)C1CCC1 280734714 WHLCFUOXUYREHU-QGZVFWFLSA-N 294.354 3.731 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 281623974 XEUXLZRSDGAUJW-DLBZAZTESA-N 287.403 3.521 30 20 CHED C#CCCCCN[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 280398606 VLDUKOYMHIZQME-LSDHHAIUSA-N 289.419 3.589 30 20 CHED C[C@@H](C#N)OCCNc1cccc(-c2cccs2)c1 802742375 KXYBFBXPHWNTCY-LBPRGKRZSA-N 272.373 3.756 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1F 293426769 ISFUFEMQOFVBQA-IUODEOHRSA-N 293.382 3.620 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 474693860 JICKKAWOQHRRRD-LXZKKBNFSA-N 284.403 3.952 30 20 CHED C=CCCCCNC(=O)[C@H](CC)Oc1ccccc1Cl 471708837 HXBVILYXVUWSMX-AWEZNQCLSA-N 295.810 3.970 30 20 CHED C[C@H](C=NN=c1cc[nH]c2ccccc12)C(C)(C)C 800813176 RPCWLBRRTPCVOP-GFCCVEGCSA-N 255.365 3.737 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1c(F)cccc1Cl 807983802 YCOQZEJRNWIULG-NSHDSACASA-N 298.789 3.750 30 20 CHED FCCC[C@H]1CCCC1=NNc1ccc2[nH]ncc2c1 800816062 YSLMNTVCVHUKQJ-LLVKDONJSA-N 274.343 3.881 30 20 CHED CC(C)(CC(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 293400547 OJHKWQBICBHELT-INIZCTEOSA-N 284.403 3.974 30 20 CHED C=C[C@@H](C)Nc1ncc(C)c(-c2ccccc2F)n1 645037859 APFNPFXYOCWXAF-LLVKDONJSA-N 257.312 3.578 30 20 CHED C=CC[C@H](C)NCc1c(F)ccc(C2OCCO2)c1Cl 291160017 LZYUZELVWRIPER-JTQLQIEISA-N 299.773 3.579 30 20 CHED C#CCC1(c2nc(-c3ccncc3CC)no2)CCCCC1 809421141 UULBGDBWMFVTDK-UHFFFAOYSA-N 295.386 3.919 30 20 CHED Cc1cccc([C@@H]2CCCN2c2nccc(C#N)c2Cl)n1 561259379 OJXVVSYGHXUQLZ-AWEZNQCLSA-N 298.777 3.652 30 20 CHED C=CCCCCNC(=O)[C@H](C)Oc1cc(C)ccc1Cl 471696105 ZUNWBGKIOZJLIQ-ZDUSSCGKSA-N 295.810 3.888 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)NCC#Cc1ccccc1)C1CC1 472918285 AYYUQGNMOAHRKD-HOTGVXAUSA-N 298.430 3.647 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OC[C@H]1C[C@H]2CC[C@H]1C2 800013652 DWVJZRMATLWVGZ-YJPRORTCSA-N 281.355 3.551 30 20 CHED C#C[C@H](N[C@H](C)CCc1n[nH]c2ccccc12)C(C)(C)C 809781453 RMNKEQPEGYAIBR-DYVFJYSZSA-N 283.419 3.522 30 20 CHED Cc1cccc(C2(CNC(=O)CCCC#N)CCCC2)c1 291778579 WNWCEDGQKHIDIH-UHFFFAOYSA-N 284.403 3.617 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(O)c(C)c2)no1 565916889 GIOQTTYTSRVTJV-HNNXBMFYSA-N 258.321 3.604 30 20 CHED CC(C)O[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 649703296 ZSPWUZJLFCWSGZ-QGZVFWFLSA-N 291.822 3.581 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cnn(C(C)C)c2)CCCC1 569554245 UAHIAKJOYBRRMX-CQSZACIVSA-N 289.423 3.778 30 20 CHED C=CCCc1noc([C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)n1 297202083 GBZKGFXCCORGHO-NXEZZACHSA-N 294.276 3.877 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)c1ccc(Cl)cc1 649568666 KGDHXWIKVOQYMN-GFCCVEGCSA-N 265.784 3.868 30 20 CHED N#Cc1ccc(OC(=O)c2sccc2Cl)c(F)c1 808572589 IORFJWWKYIWTNJ-UHFFFAOYSA-N 281.695 3.631 30 20 CHED C=CCCCCCCCCNC(=O)C1CCC(O)CC1 807844911 SGTWMYOVUPYVIV-UHFFFAOYSA-N 281.440 3.570 30 20 CHED CC#CC(=O)N1CCC(CC)(c2ccc(Cl)cc2)CC1 801294596 YPZLPQMQQTZQFL-UHFFFAOYSA-N 289.806 3.634 30 20 CHED COc1cc(/C=C2\C(=O)c3ccccc3[C@@H]2C)ccc1O 809158368 ADFPONNHHSLNRX-GPILYODUSA-N 280.323 3.784 30 20 CHED C=C(Cl)CN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 292031326 DJVPKXMYPUMZJQ-WFASDCNBSA-N 283.774 3.636 30 20 CHED O=[N+]([O-])c1ccc(NN=CCCC2CC2)c(Cl)c1 807968863 DXCPFKFIGAMUCR-UHFFFAOYSA-N 267.716 3.836 30 20 CHED C=C(C)COC(=O)[C@H](C)c1cccc(Br)c1 812608404 LXSSJRFPRXTOES-SNVBAGLBSA-N 283.165 3.672 30 20 CHED C[C@@]1(C=NNc2ccc(F)c(F)c2F)CCCS1 814945946 XYTRSWWXDYZRDA-LBPRGKRZSA-N 274.311 3.787 30 20 CHED C=C(C)CN(CC)Cc1ccn(-c2ccc(F)cc2F)n1 487557984 LCUXOZWQTOBUHH-UHFFFAOYSA-N 291.345 3.549 30 20 CHED CC(=NOC/C=C/Cl)c1ccc([N+](=O)[O-])cc1Cl 811668845 KKYRGXOGWVUZRJ-MSVOIAIGSA-N 289.118 3.741 30 20 CHED C#CCON=C1CCCSc2ccc(Cl)cc21 812232920 JKOCSJVDHPPAMJ-UHFFFAOYSA-N 265.765 3.580 30 20 CHED C[C@H](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CC1 819736683 MZMBQKNRZZDLTM-CHWSQXEVSA-N 270.376 3.514 30 20 CHED C=CCCCCOC(=O)c1ccc(C)c(C(C)=O)c1 811008634 JAHSAWRGRAPQPB-UHFFFAOYSA-N 260.333 3.711 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(C(F)F)nc1 658029191 HSHUEKNSKICCBO-JTQLQIEISA-N 254.324 3.882 30 20 CHED CCOC(=O)[C@@H](CC)S[C@H](C#N)Cc1ccc(C)cc1 570041707 FHXGWQDSRBMERB-LSDHHAIUSA-N 291.416 3.505 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNC[C@@H]1CCSC1 811659812 ZHSHYTOIQZIORF-KBPBESRZSA-N 268.470 3.921 30 20 CHED C[C@@H](O)c1cc(NCc2ccc(F)c(C#N)c2)ccc1F 814238530 UANWXNVALAMINT-SNVBAGLBSA-N 288.297 3.502 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cnn(CCC(C)C)c1C(C)C 487657663 QCZGDDBYTJYEQD-CYBMUJFWSA-N 292.427 3.749 30 20 CHED CCOc1ccc(NN=C[C@@]2(C)CCCS2)cc1 814983510 AUADXEOPLRNTJZ-CQSZACIVSA-N 264.394 3.769 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(C)c1ccc(C(C)C)cc1 815820134 CFHNCOABRPPDIU-UHFFFAOYSA-N 293.370 3.662 30 20 CHED N#Cc1ccc(-c2ccn(Cc3ccnc(Cl)c3)n2)cc1 729239692 HOHQZWZKLLJYHR-UHFFFAOYSA-N 294.745 3.518 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@H]2CC2(C)C)c1 488364142 GUJAWVDGZKOYHR-AWEZNQCLSA-N 274.364 3.514 30 20 CHED Cc1nsc(N2CCC[C@H](CC(C)C)C2)c1C#N 578629139 HVSDVPGNGUJXEH-GFCCVEGCSA-N 263.410 3.586 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)[C@H]1c1cnn(C)c1 816626957 AKDRCHZNNOXOJF-MRXNPFEDSA-N 291.439 3.690 30 20 CHED CO[C@](C)(C=NNc1ccc(C(F)(F)F)cc1)C1CC1 814882671 VLTFLFSCGGPKJX-CYBMUJFWSA-N 286.297 3.918 30 20 CHED CC/C=C\CCOC(=O)c1cc2ccccc2n1CC#N 729892294 SALKHRNKVCNRMD-ARJAWSKDSA-N 282.343 3.678 30 20 CHED C=CC[C@H](CC)NC[C@H](O)c1cccc2ccccc12 819283565 KZYIAFAWTPSFGJ-YJBOKZPZSA-N 269.388 3.818 30 20 CHED C=CCC1(c2nc(-c3ccc4c(c3)OCCO4)no2)CCC1 577421784 TUTLRUKBAPUBCC-UHFFFAOYSA-N 298.342 3.506 30 20 CHED CSC[C@@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 572458403 MARDIVZUZBKFKR-CQSZACIVSA-N 297.427 3.686 30 20 CHED C=CCCCN[C@H](C)c1ccc(OC)c(OC)c1C 573273699 VBDJYUIWYMTTJW-CYBMUJFWSA-N 263.381 3.629 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCc2ccccc2)c1 728481281 USVIXCFJNFWLOH-UHFFFAOYSA-N 277.367 3.654 30 20 CHED C#CCCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727955018 ISBZVVBUSABVFQ-WDEREUQCSA-N 283.154 3.663 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(C)cc1O 729146372 UGILAKWGACVGMI-UHFFFAOYSA-N 282.387 3.647 30 20 CHED C#CCN(C(=O)c1nc(C(C)C)oc1C)C1CCCCC1 491126409 NZXWHYOPAPUQEG-UHFFFAOYSA-N 288.391 3.515 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc2occc2c1 661124167 VXUWDOPZSBCTIA-AWEZNQCLSA-N 272.348 3.587 30 20 CHED COc1ccc(/C=C\C(=O)Nc2scc(C)c2C#N)cc1 493712444 WHNWLYNAAWRHKL-YVMONPNESA-N 298.367 3.589 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCC(C2CCCCC2)CC1 822572164 FEMLURZUBZPSMJ-UHFFFAOYSA-N 299.418 3.627 30 20 CHED C=C1CCN(C(=O)c2ncsc2Nc2ccccc2)CC1 668304246 IENVYFVXCLCQKF-UHFFFAOYSA-N 299.399 3.679 30 20 CHED C=CC[C@H](C)C(C)=NNc1cccc([N+](=O)[O-])c1C 727973520 OZNURXCTWRHRDP-JTQLQIEISA-N 261.325 3.903 30 20 CHED C=CC[C@H](NC(=O)c1cc(C)c(C)s1)c1ccncc1 734455398 DTEFCZFRHVMRAN-AWEZNQCLSA-N 286.400 3.807 30 20 CHED Cc1ccc2[nH]c(C(=O)OCc3ccccc3C#N)cc2c1 907219998 ZZNDIYIRPCOTRU-UHFFFAOYSA-N 290.322 3.705 30 20 CHED Cc1cc(CNc2nnc(C3CCCC3)o2)ccc1C#N 905425009 NAXZSFGICWPJRO-UHFFFAOYSA-N 282.347 3.519 30 20 CHED C=CCN(C(=O)Nc1ccc(/C=C\C)cc1)C1CC1 497365813 IKXMKPWIPKGABF-HYXAFXHYSA-N 256.349 3.902 30 20 CHED CC[C@H](CC#N)NCc1ccccc1Oc1cccnc1 584728265 GXOGJSFWOCJPJU-OAHLLOKOSA-N 281.359 3.656 30 20 CHED C=CCCC(C)(C)NC(=O)NCC[C@H]1C[C@H](C)O[C@H](C)C1 664845335 NELIRKDMRWRITL-QDMKHBRRSA-N 296.455 3.624 30 20 CHED C=CCCNC(=O)Nc1ccc(OCCCC)cc1C 665824610 JHTUUQXOYRIPJP-UHFFFAOYSA-N 276.380 3.872 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H](C)CCCc1cccnc1 835934596 XUGFCNRWZXGONQ-AWEZNQCLSA-N 275.392 3.938 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccccc1Cn1ccnc1 584746810 NGBSMCBEUCLTKM-JKSUJKDBSA-N 283.419 3.622 30 20 CHED C#CCCOc1ccc(CN[C@@H]2CCCC[C@H]2C)cc1 733321743 ITNGFDALCFNGLQ-CRAIPNDOSA-N 271.404 3.757 30 20 CHED C=CCC1(CNC(=O)CCc2csc(C)n2)CCCC1 836991141 PTMXDIDQUYETES-UHFFFAOYSA-N 292.448 3.637 30 20 CHED N#C[C@@H](C(=O)C1CCSCC1)c1ccc2ccccc2n1 733052953 HEJFSSGYRHTLBX-CQSZACIVSA-N 296.395 3.554 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CCc2ccc([N+](=O)[O-])cc21 588598551 LOJGFVBQOGKQJQ-JYRVWZFOSA-N 295.294 3.513 30 20 CHED Cc1ccc(-c2cccc(C[C@@H](C#N)CO)c2)c(C)c1 904856452 AJTLIWUWAZGSRY-INIZCTEOSA-N 265.356 3.645 30 20 CHED C#CCO[C@H](C)c1nc(-c2oc3ccccc3c2C)no1 834697356 JJNZMUIOKRDFQP-LLVKDONJSA-N 282.299 3.502 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1scnc1C 835020029 IUSPSPDYMWCRQF-CQSZACIVSA-N 289.379 3.592 30 20 CHED CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccsc1 834688682 DMSYETQLESWCKJ-OAHLLOKOSA-N 286.400 3.869 30 20 CHED C=CCCO[C@@H](C)C(=O)OCCc1ccc2ccccc2c1 733859352 IDDNXHIFSRUHNB-HNNXBMFYSA-N 298.382 3.907 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc3c(c2)CCO3)c1 734981801 WRYYTRBIGSNJGM-UTCJRWHESA-N 282.314 3.965 30 20 CHED C=CCCC[C@@H](NCc1cc(C)c(C)cc1C)C(=O)O 900067129 DKUVISSQMOIEDV-MRXNPFEDSA-N 275.392 3.511 30 20 CHED CCCCCCCCCNC(=O)c1cncnc1C1CC1 836318852 QTBIUUPTAWKRNA-UHFFFAOYSA-N 289.423 3.834 30 20 CHED C=CC1CCN(C(=S)Nc2ccccc2Cl)CC1 731943359 WALOCFIUIKMFJP-UHFFFAOYSA-N 280.824 3.935 30 20 CHED C#CCOc1ccc(CN[C@@H]2CSc3ccccc32)cc1 735508783 NOFOFQDNTPSZOX-QGZVFWFLSA-N 295.407 3.635 30 20 CHED CC[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccncc1 839450049 UVQXPVBECLULEB-WMLDXEAASA-N 284.359 3.550 30 20 CHED C=CCCCCCN(C)Cn1c(=O)oc2ccc(C)cc21 739887574 URXIHXSCSNZAIW-UHFFFAOYSA-N 288.391 3.539 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)C(=O)C#CC(C)(C)C 837655111 VAPWEYLNVBZXNI-HNNXBMFYSA-N 287.403 3.654 30 20 CHED C=C(Cl)COC(=O)CCOc1ccc(F)c(Cl)c1 915561480 ZHHYNIKXVNNKSK-UHFFFAOYSA-N 293.121 3.544 30 20 CHED N#CC1(C(=O)N[C@H](C2CCCCC2)C2CCC2)CCCC1 592696406 AENLCTDSDHCPKP-MRXNPFEDSA-N 288.435 3.936 30 20 CHED C#CC1CCN(C(=O)Nc2cccc3ccccc23)CC1 831046552 BIHHQOZRPDNHAB-UHFFFAOYSA-N 278.355 3.717 30 20 CHED N#Cc1cc(F)c(OCC2CCC2)c(Br)c1 598731105 XLEVXTXZUGFKCB-UHFFFAOYSA-N 284.128 3.639 30 20 CHED N#CC1(Cc2nc(COc3ccccc3)no2)CCCCC1 594729608 MPKCDUPMLQMUGX-UHFFFAOYSA-N 297.358 3.665 30 20 CHED C=C(Cl)COC(=O)CC(C)(C)c1ccccc1 743084234 MFVUQDCXIMQQSZ-UHFFFAOYSA-N 252.741 3.650 30 20 CHED CC1(C)CCCN(c2nc(C#N)c(Cl)s2)CC1 596139562 CLEHIQZJTCTPFE-UHFFFAOYSA-N 269.801 3.685 30 20 CHED CC(C)Oc1cccc(C/N=C/c2cccc(O)c2O)c1 915980740 BFLFURNJNUXIMZ-WOJGMQOQSA-N 285.343 3.504 30 20 CHED C#C[C@@H](OC(=O)C[C@]1(C)CC1(Cl)Cl)c1ccccc1 842392109 ISJPOZRIPAJNQA-TZMCWYRMSA-N 297.181 3.878 30 20 CHED C[C@H](SCCc1ccc(C#N)cc1)c1nc(C2CC2)no1 596333852 MBLRCRDFSVMLOL-NSHDSACASA-N 299.399 3.856 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1cc2cnccc2o1 844594903 WXMBQJRYZYBVEC-OAHLLOKOSA-N 271.364 3.720 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(C#N)cc1 743450593 NNYKVHSFTYRJGI-CQSZACIVSA-N 257.381 3.841 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H](C)c1cccc(Cl)c1 742056790 DOUACYMNJPEIQS-CYBMUJFWSA-N 292.810 3.842 30 20 CHED N#CCCCOC(=O)c1c(Cl)cccc1OCC1CC1 910260921 PSUIGHUIQWACGQ-UHFFFAOYSA-N 293.750 3.589 30 20 CHED N#Cc1cccnc1NCCc1cc(Cl)cc(Cl)c1 49281904 FTQVLIUNMTXXPR-UHFFFAOYSA-N 292.169 3.915 30 20 CHED Cc1cc(C(=O)O[C@@H](C)C#N)c(C)n1[C@H](C)c1ccccc1 914664168 UDUBWAWSGYYQCJ-UONOGXRCSA-N 296.370 3.783 30 20 CHED C=CCN(C(=O)N[C@H](c1cccs1)C1CC1)C(C)C 918063413 XNTVSEGFBOUOFF-AWEZNQCLSA-N 278.421 3.805 30 20 CHED C=CCOCC(=O)Nc1ccccc1SC1CCCC1 591129450 LWBLCKJPUJVDNT-UHFFFAOYSA-N 291.416 3.862 30 20 CHED Cc1cc2cc(C=NNC3CCCC3)oc2cc1C 749815734 QRSGGNMMOPOQMP-UHFFFAOYSA-N 256.349 3.916 30 20 CHED CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CCCC1 593957847 LOASIYKWOAKHJA-CQSZACIVSA-N 284.403 3.528 30 20 CHED C=CCN(C(=S)Nc1c(C)cccc1C)[C@H](C)COC 849276995 NVUCRGTYDQSNHX-CQSZACIVSA-N 292.448 3.523 30 20 CHED C=CCCOCc1nc(C(C)(C)c2cccc(F)c2)no1 683599442 VPOMAQRGRPZRJM-UHFFFAOYSA-N 290.338 3.627 30 20 CHED Cn1nnc2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc21 740667210 WLGNFKSTBJNURP-YCRREMRBSA-N 297.745 3.518 30 20 CHED CCN(C(=O)c1ccc(SC(C)C)cc1)[C@H](C)C#N 598352182 HVKWOYHVASLBKL-GFCCVEGCSA-N 276.405 3.561 30 20 CHED Cc1cc(C)c(/C=C2\CCc3c(cnn3C)C2=O)cc1C 915989093 XLFKPLARHWYPCB-NTEUORMPSA-N 280.371 3.558 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@@H]3CCCC[C@@H]32)n1 596294265 JDOLSISZCXJZQV-KBPBESRZSA-N 269.392 3.630 30 20 CHED N#CC1(CCOC(=O)CCCC(=O)C2CC2)CCCCC1 840581109 MHICQKBVSNQCLZ-UHFFFAOYSA-N 291.391 3.543 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)c1nccc2ccccc12 740762066 YGQLTVGPHQWPJN-UHFFFAOYSA-N 298.349 3.651 30 20 CHED C=C(Br)COC(=O)CCCC1CCCC1 745603879 QQWYZLIJQWCOKS-UHFFFAOYSA-N 275.186 3.799 30 20 CHED C[C@@H](CON=C1CCC2(CC1)OCCO2)C1CCCCC1 842021804 NFXMVJYRJFMWGJ-AWEZNQCLSA-N 295.423 3.893 30 20 CHED CCCc1ccc(CCCC(=O)N(C)[C@@H](C#N)CC)cc1 594084675 QOCXCZWAGAEERI-QGZVFWFLSA-N 286.419 3.722 30 20 CHED Cc1cc(C)cc(CC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 596740157 CLFVLYTYYQQYOY-OAHLLOKOSA-N 292.382 3.595 30 20 CHED C[C@@H]1c2ccc(Cl)n2CCN1C(=O)CCCCCC#N 848086960 LJSSPCZWTLVMSI-GFCCVEGCSA-N 293.798 3.519 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C\c2cccc(OC)c2O)C1 749007303 DQMUSLIEUIKCPZ-ILWXYBAZSA-N 293.432 3.884 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CC23CCC3)CCCC1(C)C 683457876 PBQJGBQMISYFOW-KGLIPLIRSA-N 261.409 3.770 30 20 CHED O=C(O)c1cccc(NN=Cc2coc3ccccc23)c1 746559965 ZKYITRRNIZTRTN-UHFFFAOYSA-N 280.283 3.577 30 20 CHED C(=NOCc1cccnc1)c1cccc(OC2CCCC2)c1 746578080 YOXFWEKTJFCHHF-UHFFFAOYSA-N 296.370 3.954 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1c(C)nn(C)c1Cl)C2=O 921263505 FJXFIDBQQSHLFV-XYOKQWHBSA-N 286.762 3.513 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)o1 858320966 ORPAFZRNEXOLLD-OAHLLOKOSA-N 272.735 3.582 30 20 CHED C=CCC[C@H](N[C@H]1CCc2cc(OC)ccc2C1)C1CC1 680352622 NYWPDOXKIZNTKL-HKUYNNGSSA-N 285.431 3.887 30 20 CHED Cc1cc(C(=O)/C=C\c2nc(Cl)cs2)ccc1O 759086153 ZZJUPDUREUHJLF-PLNGDYQASA-N 279.748 3.707 30 20 CHED C=C[C@H](OC(=O)Cc1csc(CC)n1)c1ccccc1 851453282 PRKTXISUTBJSDX-AWEZNQCLSA-N 287.384 3.719 30 20 CHED CCC1(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)CC1 750894062 FUTJSIRWXXGUFV-UHFFFAOYSA-N 296.288 3.790 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](CC)c1ccc(Cl)cc1 753243269 NUBOLUNKEDCMNK-KBPBESRZSA-N 278.783 3.502 30 20 CHED CCCCCCCCC(=O)N1CCSC[C@@H](C)C1 754495130 HYJUEYOTDGJHFR-AWEZNQCLSA-N 271.470 3.949 30 20 CHED CON=Cc1ccc(Oc2cc(F)cc(F)c2)cc1 921257505 FAQNPKKCMVPJOJ-UHFFFAOYSA-N 263.243 3.737 30 20 CHED C=CC(C)(C)CCOC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C 851299890 CSBGTDUPMSASRB-OLZOCXBDSA-N 280.408 3.773 30 20 CHED CC(C)(C(=O)OCc1cccc(C#N)c1)C1CCCC1 757844181 WFCZPPACXKDSEZ-UHFFFAOYSA-N 271.360 3.818 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1coc(-c2ccccc2)n1 925153187 KKDWLCALPAWKNS-CYBMUJFWSA-N 283.375 3.760 30 20 CHED Fc1ccc(/C=C/C=NOCC(F)(F)F)c(F)c1 758128938 MISHZFAPQQCSLS-CQPSTHIISA-N 265.181 3.543 30 20 CHED C=CCCCCCCCNC(=O)NCc1cccnc1C 858465901 PQFIFZMNYKISLR-UHFFFAOYSA-N 289.423 3.716 30 20 CHED COCC(=NNc1nc2ccc(Cl)cc2s1)C1CC1 853438434 BCKYPZAEUSEVQR-UHFFFAOYSA-N 295.795 3.774 30 20 CHED CC(C)CCCCCC(=O)N1CCC[C@@H](CC#N)C1 855253996 BUVXEGQATAJNLA-HNNXBMFYSA-N 264.413 3.745 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc(Cl)ccc1F 851213220 OWFKIIJDAZWLPW-SECBINFHSA-N 283.730 3.964 30 20 CHED C=C(C)CN[C@H](C)c1ccc(C(F)(F)F)nc1Cl 856777725 BMXIYAMQZNZZJX-MRVPVSSYSA-N 278.705 3.981 30 20 CHED C=C(CNC(=O)[C@@](C)(F)CCCC)c1ccccc1 854470013 CYJIBOJGIYGSBZ-INIZCTEOSA-N 263.356 3.734 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(Cl)cc1 920832689 QFUWWSVFBDARLA-TWGQIWQCSA-N 274.751 3.586 30 20 CHED C#C[C@H](CC)NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 754388559 MXSZOPRLJUSLJF-BRWVUGGUSA-N 293.451 3.670 30 20 CHED CCCCCCCCNC(=O)N(CC)C[C@H]1CCCO1 755075670 OQIIHIAZAULXNQ-OAHLLOKOSA-N 284.444 3.557 30 20 CHED C[C@H](NC(=O)c1cc(Cl)cs1)c1ccc(C#N)cc1 757835416 CLJVPLKRWGJCKI-VIFPVBQESA-N 290.775 3.764 30 20 CHED C[C@@H](OC(=O)c1csc(C(C)(C)C)n1)C(C)(C)C#N 753613685 PUEXHTCCMIQTAH-SECBINFHSA-N 280.393 3.536 30 20 CHED C=C[C@@H](CC(=O)OCC(=O)C(C)(C)C)c1ccccc1 758917113 YNHVYVKSZQZVAC-ZDUSSCGKSA-N 274.360 3.505 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H](CC#N)C1 852226280 HCKLPWIRMWBOFS-OAHLLOKOSA-N 279.428 3.682 30 20 CHED C=C(C)CCN1CCC[C@H]1c1cncc(Br)c1 932250568 YHCPSLXHFMFTSO-AWEZNQCLSA-N 295.224 3.947 30 20 CHED CC(=NNc1ccccc1Cl)c1cscn1 767893589 QBUAUINYAGTNPP-UHFFFAOYSA-N 251.742 3.633 30 20 CHED CCCCCCCNC(=O)CCCc1csc(C)n1 862358437 HPKUERKRBMJZCV-UHFFFAOYSA-N 282.453 3.861 30 20 CHED C=CCN(CC=C)Cc1ccccc1N1CCCCC1 768137640 QQZYGHKAQHJEQT-UHFFFAOYSA-N 270.420 3.851 30 20 CHED C[C@@H](CCSc1ccccc1)OC(=O)C(C)(C)C#N 769998770 VTJZZFFJPVUFKZ-LBPRGKRZSA-N 277.389 3.650 30 20 CHED C[C@@H](C=NOCC(F)(F)F)CCc1ccccc1 764834294 BOWJDRAMSMBHGJ-LLVKDONJSA-N 259.271 3.820 30 20 CHED C=C(C)CNC(=S)N1CCCC[C@H]1c1ccccc1 762445620 WYUILQQILDSFQF-HNNXBMFYSA-N 274.433 3.664 30 20 CHED C[C@@H]1CCC(=NNc2ncccc2Cl)C[C@H]1C 767370697 LXGPLVSANFUUPJ-NXEZZACHSA-N 251.761 3.959 30 20 CHED Clc1scc(C=NNc2ccccn2)c1Cl 761748309 DJCJKWNRSJRUTA-UHFFFAOYSA-N 272.160 3.896 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)c1ccc[nH]1)c1ccccc1 760430974 YUFILVADPFZFME-KGLIPLIRSA-N 268.360 3.552 30 20 CHED CC(=O)c1ccccc1N[C@H](C)c1cccc(C#N)c1 863996944 MPWYDMJFFXBFJG-GFCCVEGCSA-N 264.328 3.934 30 20 CHED C=C[C@H](CC)CC(=O)NC1CCC(N2CCCCC2)CC1 934296334 DTAFYYIVIWORNO-KLAILNCOSA-N 292.467 3.502 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2sccc2C#N)CC12CCC2 931836540 GDARAKZDDHPUDO-GFCCVEGCSA-N 289.404 3.662 30 20 CHED C(/C=C/c1ccco1)=NNCc1cnc2ccccc2c1 764778913 NQLCXHINZHWZOT-ZXJOQRNHSA-N 277.327 3.617 30 20 CHED CC(=NNCCc1ccccc1F)C1CCCCC1 764724743 ZSMYATLYZVABFW-UHFFFAOYSA-N 262.372 3.914 30 20 CHED CCCCCCCNC(=O)[C@@H](C)c1ccc(C)o1 862358604 OSIUZOYGNYFBEG-ZDUSSCGKSA-N 251.370 3.778 30 20 CHED CCCCCCCON=Cc1ccc(-n2cncn2)cc1 764546966 IODSDJWWPHIQCL-UHFFFAOYSA-N 286.379 3.588 30 20 CHED C#C[C@H](OC(=O)CC[C@@H]1CC[C@H](C)O1)c1ccc(C)cc1 860964660 VXVKIESEKIUONK-XIRDDKMYSA-N 286.371 3.560 30 20 CHED CCCCCCCNC(=O)N(C)Cc1ccc(C)cn1 875764327 HGVXIJABPVRFLG-UHFFFAOYSA-N 277.412 3.502 30 20 CHED C#C[C@H](CC)OC(=O)c1ccccc1C(=O)c1cccs1 768048499 JSRHESREIUZIRT-GFCCVEGCSA-N 298.363 3.548 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)c2cccc(C)c2)c1 1116268827 MFURRVPFNRHKQP-MDZDMXLPSA-N 280.323 3.678 30 20 CHED CC(=NOC(C)(C)C)c1ccccc1OC(F)F 1116404948 RILCQWKXVZHOKB-UHFFFAOYSA-N 257.280 3.827 30 20 CHED C=C(C)COC(=O)c1c(Cl)cc(F)cc1Cl 763549218 YOZUIEUTFSXAER-UHFFFAOYSA-N 263.095 3.865 30 20 CHED C=CCOc1cccc(NC(=O)NOC2CCCCC2)c1 779411992 PGLJILKVOQYIBR-UHFFFAOYSA-N 290.363 3.637 30 20 CHED C[C@H](C#N)OCCOc1ccccc1NC1CCCCC1 871792178 ZIESJRCBRZKBLI-CQSZACIVSA-N 288.391 3.739 30 20 CHED C=CCN(C)C(=O)/C=C\c1ccc2cc(OC)ccc2c1 777839671 CEZRVXFMOBJDGY-POHAHGRESA-N 281.355 3.506 30 20 CHED C#CCCOc1ccc(CNc2cccc(F)c2)cc1 770481960 AEEPQHXVCYAXER-UHFFFAOYSA-N 269.319 3.840 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)C2CC=CC2)cc1 774580582 BTTJEEURGJSXJM-UHFFFAOYSA-N 299.370 3.601 30 20 CHED CCCCC[C@@H](CC)C(=O)NCc1cc(C#N)ccc1F 775757531 HRWLYGSPOTUDBP-CQSZACIVSA-N 290.382 3.920 30 20 CHED Fc1ccc(Cl)cc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 774593898 URVYFUJYPDVVIB-PKFCDNJMSA-N 266.747 3.591 30 20 CHED CCCCCCCCOC(=O)c1cccc([S@@](C)=O)c1 770601616 FXJUEPRYRMQHDK-HXUWFJFHSA-N 296.432 3.941 30 20 CHED Cc1ccc2ncc(/C=C3\Cc4c(F)cccc4C3=O)n2c1 771860191 PXAPPLWCJBTPSU-KPKJPENVSA-N 292.313 3.604 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc1F 776726872 PAAUNEFXXVFABQ-QHHAFSJGSA-N 299.276 3.741 30 20 CHED COc1cccc(NN=C2CC(C)(c3ccccc3)C2)n1 779817673 MBGOQTJRZCRFNW-UHFFFAOYSA-N 281.359 3.610 30 20 CHED COc1cccc(OC)c1/C=C1/Cc2ccc(C)cc2C1=O 776189751 KJFTZMMZYNUKLF-KAMYIIQDSA-N 294.350 3.835 30 20 CHED C=C[C@@H](CC)OC(=O)c1[nH]c2ccccc2c1Cl 776105265 PHMVXDGOIAZRKF-VIFPVBQESA-N 263.724 3.943 30 20 CHED CCOCCON=C(C)CC(C)(C)c1ccccc1 774435772 VSAPWVONDBNKET-UHFFFAOYSA-N 263.381 3.783 30 20 CHED O=C(O)c1cccc(/C=C2\Cc3c(Cl)cccc3C2=O)c1 774126205 GPPZBWLVDLSMHN-XYOKQWHBSA-N 298.725 3.861 30 20 CHED O=[N+]([O-])c1ccccc1/C=C/C=NOC1CCCCC1 777458299 BVHFIGAEWLAFGG-ZUQJHFSSSA-N 274.320 3.943 30 20 CHED Cc1ccc(Oc2c(Br)cccc2C#N)cn1 1458129627 CZEVNOPPKVCJEW-UHFFFAOYSA-N 289.132 3.817 30 20 CHED CC(=O)c1cccc(C(=O)O[C@@H](C#N)C2CCCCC2)c1 776394930 HDUZEHOTYWPHEU-INIZCTEOSA-N 285.343 3.518 30 20 CHED CC(C)OCCNN=Cc1sc2ccccc2c1Cl 778549798 FLXGBDOKGRANPH-UHFFFAOYSA-N 296.823 3.903 30 20 CHED CCCCCCCCC(=O)NCC1CCN(C2CC2)CC1 770764903 DEBHGCJWVPTJOV-UHFFFAOYSA-N 294.483 3.728 30 20 CHED Cc1cc(C)cc(CNCc2ccc(C#N)cc2F)c1 237835968 NGDSWBAPWBEAMI-UHFFFAOYSA-N 268.335 3.604 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 880319025 RVJOFNZBBIIHLZ-INIZCTEOSA-N 282.387 3.654 30 20 CHED CC(C)c1nccnc1NN=C1CCCc2ccc(F)cc21 773077736 IUBRGLMQEDGXRL-UHFFFAOYSA-N 298.365 3.892 30 20 CHED CCc1ccc([C@H](C)C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 1129609681 YPFRNGFSRPTGOA-JLJPHGGASA-N 285.387 3.978 30 20 CHED CC[C@H]1CC[C@H](C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CC1 1129609674 YNSCHJBBVCAWHU-KBUPBQIOSA-N 263.381 3.828 30 20 CHED C#CCN(C(=O)N(C)c1ccc(F)cc1)C1CCCCC1 786842102 DYAQPHHFEPWPJO-UHFFFAOYSA-N 288.366 3.650 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc(C#N)cc1Cl 788438708 MMCMJZCYKQWXMI-UHFFFAOYSA-N 288.713 3.582 30 20 CHED C[C@@H](C=NNc1ncncc1Cl)c1cccc(Cl)c1 780282706 PDNMKHJLSAZCPC-VIFPVBQESA-N 295.173 3.985 30 20 CHED CCC[C@@H](CC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1129977413 SEZBPWYSNNKWLH-PBHICJAKSA-N 284.403 3.878 30 20 CHED CC(CCCCN(C)C)=NNc1ccc2ccccc2n1 781113386 ADMCEKLFPXOJTA-UHFFFAOYSA-N 284.407 3.755 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 784877753 LMEZRFLGXYVUIA-NHYWBVRUSA-N 277.320 3.801 30 20 CHED C#CCCCCCC(=O)OCCC(F)(F)C(F)(F)F 1123323230 UWLSLTOUSXIALC-UHFFFAOYSA-N 286.240 3.701 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2cccc(OC(C)C)c2)n1 881810566 BCFVLDWWWDISPD-GFCCVEGCSA-N 296.374 3.617 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(C#N)cc1C(C)=O 1128965423 KMNTWMAGZRJKLT-LLVKDONJSA-N 286.375 3.772 30 20 CHED CSc1ccccc1CN(CCC#N)CC(C)C 781332390 MNVUCXIJLSNLKG-UHFFFAOYSA-N 262.422 3.780 30 20 CHED COc1ccc(NN=C[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 783856743 JJEIWSLNPYOQIE-NWDGAFQWSA-N 291.351 3.827 30 20 CHED COc1ccc(Cl)cc1NCCC(C)(C)C#N 87590973 HWSGMTNZNHNTMK-UHFFFAOYSA-N 252.745 3.700 30 20 CHED Cc1ccc(CCCC=NNc2cccnn2)cc1C 783846041 LNADWEXPKFPABV-UHFFFAOYSA-N 268.364 3.514 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(N(C)C)c(Cl)c1 785535807 URBJSMMWTHYAHK-HNNXBMFYSA-N 280.799 3.947 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](C)CC1 1137526095 VNALNMNKCVSJAC-MQMHXKEQSA-N 285.391 3.755 30 20 CHED C=C1CCC(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)CC1 891156588 NCILINVIWZJSIT-MRXNPFEDSA-N 284.403 3.738 30 20 CHED CC(C)c1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cn1 896619830 WZXZJDSKKGZIJX-AWEZNQCLSA-N 287.407 3.716 30 20 CHED C=C1CCC(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)CC1 892702095 BKSHLMVGBZLUSF-AWEZNQCLSA-N 293.370 3.794 30 20 CHED C=C1CC(c2noc(/C=C\c3ccc(OC)c(OC)c3)n2)C1 896875608 ILSIMFORJMGBFB-ALCCZGGFSA-N 298.342 3.691 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cnn(C3CCC3)c2)co1 899371473 QEXUXLVXRDXOIV-SREVYHEPSA-N 285.347 3.616 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2cnn(C3CCC3)c2)cc1 897876105 NFXNIPWZHVOFRR-ZDUSSCGKSA-N 296.374 3.511 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCC[C@@H]1CCF 794898951 FGKYZXUJBHIFQJ-LLVKDONJSA-N 279.315 3.831 30 20 CHED CCN(C)c1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cn1 790216241 PMRWLEJFTDXARQ-YBEGLDIGSA-N 292.382 3.669 30 20 CHED Cc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1C#N 799297450 NFBNVGMVUMADAL-CQSZACIVSA-N 278.355 3.666 30 20 CHED C=C[C@@H](Nc1ccc(OCC(C)C)c(Cl)c1)C(=O)OC 799976904 PKBCTRLQOPHIRN-CYBMUJFWSA-N 297.782 3.514 30 20 CHED N#Cc1ccc(NCCCC(F)F)cc1Br 688771591 PKQASOIRBWZJEC-UHFFFAOYSA-N 289.123 3.778 30 20 CHED C#CCN(Cc1cn(C(C)C)nc1C)C1CCCCC1 798941900 KRWIYOTUNWFMQH-UHFFFAOYSA-N 273.424 3.540 30 20 CHED C[C@@H](c1nccc2ccccc12)N1CCC(C)(C#N)CC1 1308637949 AXTXNJHTYPYMEY-AWEZNQCLSA-N 279.387 3.921 30 20 CHED C=C(CNCc1ccccc1NCC)c1ccccc1 1308248320 DLIJKPZMBILCHB-UHFFFAOYSA-N 266.388 3.921 30 20 CHED C#CCN(Cc1ccc(C(C)C)nc1CC)CC1CC1 1324266232 IRXDYCLHEKLUOV-UHFFFAOYSA-N 270.420 3.613 30 20 CHED CC(C)[C@]1(C)C[C@H]1c1nnc(-c2ccc(C#N)cc2)o1 1326987483 NHRBQSFZVRHJBA-BBRMVZONSA-N 267.332 3.758 30 20 CHED Cc1ccccc1C1(CNc2cccc(CC#N)n2)CC1 1320364776 SOSLYLCGPSXWLI-UHFFFAOYSA-N 277.371 3.600 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC#Cc1ccccc1 1332982890 MVDCKVLFOWKPJZ-BPQIPLTHSA-N 281.399 3.608 30 20 CHED C=Cc1ccc(CCNc2cccc(F)c2C#N)cc1 1186527373 IWXNTUJCTXSDMX-UHFFFAOYSA-N 266.319 3.995 30 20 CHED N#CCc1cccc(NCC[C@H]2CCc3ccccc32)n1 1330591076 BGPNLSYWUOHXBB-OAHLLOKOSA-N 277.371 3.680 30 20 CHED C[C@H](CCC#N)CNCc1cnc(-c2ccccc2)s1 1332982242 SBUTULNBVSQRIZ-CYBMUJFWSA-N 285.416 3.840 30 20 CHED CCCc1cc(C(=O)N(CC)[C@@H](C#N)CC)sc1C 1338328818 LPADZYNXWBSUFW-CYBMUJFWSA-N 278.421 3.773 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NC(=O)CC#Cc1ccccc1 1338611901 ONWARRQOWILGJN-CQSZACIVSA-N 297.320 3.521 30 20 CHED C=CCCCCCN(C)C(=O)CCNc1ccccc1 1252039822 RPYJUYSDNYMXJF-UHFFFAOYSA-N 274.408 3.693 30 20 CHED C#C[C@H](NCc1cccn1C1CC1)c1ccc(Cl)cc1 1261256196 ZWDOUARZMUSIMD-KRWDZBQOSA-N 284.790 3.941 30 20 CHED COc1ccc(C(=O)OC[C@@H](C)C#N)cc1-c1ccccc1 1344005955 SXWOYAWIVDNHPA-ZDUSSCGKSA-N 295.338 3.679 30 20 CHED C=C(Br)CN1CCc2cccc(CC)c21 1191861920 OJAXANODEOPXLZ-UHFFFAOYSA-N 266.182 3.520 30 20 CHED Cc1c(C(=O)O[C@@H]2CC[C@H](C#N)C2)oc2ccc(F)cc12 1342663702 KRPOOAROTGVONQ-CMPLNLGQSA-N 287.290 3.729 30 20 CHED Cc1cc(C#N)cc(NCc2cccn2C2CC2)c1 1344073849 CEUSUUUROQBRBF-UHFFFAOYSA-N 251.333 3.615 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cccc2cccnc12 1340357542 UQYLXPXADHJNOM-UHFFFAOYSA-N 286.334 3.615 30 20 CHED C=C(CC)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 1351675933 GXODPKXVJFSREI-UHFFFAOYSA-N 283.375 3.702 30 20 CHED Cc1cccc(-c2ccc(NC(=O)C(C)(C)C#N)nc2)c1 1437859720 RSYPHSVYUHAGCO-UHFFFAOYSA-N 279.343 3.545 30 20 CHED C=C(C)CCC(=O)Nc1cc(Cl)ccc1OC 1354041684 RUYVASJTJVHWEG-UHFFFAOYSA-N 253.729 3.643 30 20 CHED N#Cc1cccc(C#N)c1N1CCC2(CCSCC2)CC1 1351790965 PNSVIJDBRUVVSU-UHFFFAOYSA-N 297.427 3.544 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N(CC)C1CCCCC1 1507867885 ZBPCSGRJLZPVNK-UHFFFAOYSA-N 296.846 3.752 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)s1 1436536086 FRIPHKIPWGEPSB-VXGBXAGGSA-N 276.405 3.566 30 20 CHED C=CCC[C@@H](C)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 219257295 YKGSDRQOJRTYQB-CABCVRRESA-N 296.455 3.720 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(CC)[C@@H](C#N)CC 1289299020 RZWRYGOHSDXHHJ-UONOGXRCSA-N 252.402 3.599 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCCCCCC1 1286620310 IZDLOQANRATLBM-UHFFFAOYSA-N 296.846 3.925 30 20 CHED C=C1CCC(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)CC1 1514928763 HGUDREYQSJNSBZ-ZDUSSCGKSA-N 286.400 3.943 30 20 CHED C[C@H](CCCC(F)(F)F)OC(=O)c1csc(C#N)c1 1516818663 CXSKJZVNFYZOFF-MRVPVSSYSA-N 291.294 3.898 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1(C)CCCCC1 131011171 HEDLMVGCXTYFAI-UHFFFAOYSA-N 256.349 3.776 30 20 CHED COCCN(CCC(C)(C)C#N)Cc1ccc(C)c(C)c1 1460791088 SFZOKTLGNQJYQA-UHFFFAOYSA-N 288.435 3.692 30 20 CHED CCC(CC)CC(=O)Nc1cc(C#N)c(F)cc1F 1462284529 MDBYUOMOIFIQPZ-UHFFFAOYSA-N 266.291 3.601 30 20 CHED CCCC1(CNc2ncc(Cl)c(C)c2C#N)CC1 1472729534 WVLAAPDFAWNHOJ-UHFFFAOYSA-N 263.772 3.907 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 1476232335 KQXLPURXRZTIJE-CWRNSKLLSA-N 297.402 3.815 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 1470353535 OVQNSWXYCDRDHV-BFYDXBDKSA-N 291.439 3.538 30 20 CHED C=CC[C@@H](C)NCc1ccc(N2CCCCC2)cc1 116926818 ZMAOINNNAVOVBW-OAHLLOKOSA-N 258.409 3.731 30 20 CHED C=C(CC)C(=O)Nc1nn(C2CCCCC2)cc1C 1548683541 AJZDWHTZYSBWDL-UHFFFAOYSA-N 261.369 3.601 30 20 CHED C#CCCCCC(=O)Nc1cc(Br)ccc1F 119671616 FOIMYKGYHFRZOW-UHFFFAOYSA-N 298.155 3.720 30 20 CHED N#Cc1ccc(C(=O)Nc2cscc2Cl)s1 1625354965 PEBBMFQJPUQRMO-UHFFFAOYSA-N 268.750 3.587 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1scc(C)c1C#N 1624564550 RVVUKLICXZNINZ-NEPJUHHUSA-N 291.420 3.876 30 20 CHED CC(C)C(CNCc1cc(C#N)ccc1F)C(C)C 229549093 UQNVYIDAWDCJKB-UHFFFAOYSA-N 262.372 3.715 30 20 CHED N#CCc1ccc(NCc2ccc3[nH]ccc3c2)cc1 229630250 FLZBFVJAIUQKKO-UHFFFAOYSA-N 261.328 3.846 30 20 CHED CCc1nnc(Sc2ccc(C)s2)c(C#N)c1CC 1642797809 SXSROWJKBLQCNS-UHFFFAOYSA-N 289.429 3.994 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)Cc1ccc(OCC#N)cc1 1645303288 KGSFFXZQXLQAFJ-SJLPKXTDSA-N 286.419 3.990 30 20 CHED CCC1(Nc2nc(C#N)c(Cl)s2)CCCC1 1651887776 LHAYYFKGHOCBGS-UHFFFAOYSA-N 255.774 3.803 30 20 CHED Cc1nc(NC[C@@]2(C)CCCc3ccccc32)ccc1C#N 1651707951 ITGITNARUHBLSZ-LJQANCHMSA-N 291.398 3.968 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)Cc2cc(C)cc(C)c2)n1 1651571953 AYBUCJKKRIAXQN-AWEZNQCLSA-N 294.402 3.571 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1 1585047356 VXPNMKXLUUMFLO-WBVHZDCISA-N 284.403 3.895 30 20 CHED C[C@@H](CNCc1cccc(F)c1C#N)c1ccccc1 1659361759 QVQPRMNCFRHIIW-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED Cc1ccnc(N(CC2CCCCC2)C2CC2)c1C#N 1655004402 OLDLDNQZPDKUAM-UHFFFAOYSA-N 269.392 3.811 30 20 CHED CCCCCCCCCNC(=O)c1cc(C(=O)O)oc1C 1595704869 KSANSZCBFVXFDE-UHFFFAOYSA-N 295.379 3.767 30 20 CHED O=C(O)c1ccc(NN=C[C@@H]2CCc3ccccc3C2)cc1 1776012197 IHLOTOUJXXCZJU-CYBMUJFWSA-N 294.354 3.588 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(/C=C\C(=O)O)cc1 1777465318 PAAPOGMJJPPKDE-FAEGWCMCSA-N 292.334 3.989 30 20 CHED C[C@@H]1CC(=NNc2ccc(C(=O)O)c(F)c2)C[C@@H](C)C1 1776074522 FRFHZKVMUXPCKN-UWVGGRQHSA-N 278.327 3.748 30 20 CHED Cc1cccc(C=NNc2ccc(C(=O)O)c(F)c2)c1C 1776073568 BCUXHGAJQXPAOQ-UHFFFAOYSA-N 286.306 3.587 30 20 CHED CC(C)[C@H]1/C(=C/c2cc(C(=O)O)co2)C(=O)c2ccccc21 1776308810 QMPDTECLMKCROX-MVMZHWFQSA-N 296.322 3.997 30 20 CHED C#CCCCCNCc1cnc(-c2cccs2)s1 150738274 BOZBPYPXKNGJBO-UHFFFAOYSA-N 276.430 3.765 30 20 CHED CCOc1cccc(/C=C2/COc3ccccc3C2=O)c1 206949142 BGZOHHJXEHUTSU-UVTDQMKNSA-N 280.323 3.744 30 20 CHED N#Cc1c(Br)cccc1NCc1cccs1 164982594 JKOKPFUVNTXBHW-UHFFFAOYSA-N 293.189 3.994 30 20 CHED Cc1cc(C)c(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)[nH]1 151042124 GUAYPEYRHNAWDV-UHFFFAOYSA-N 295.386 3.554 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1OC(C)(C)C 153923890 TXDDZYOJYOAVTP-UHFFFAOYSA-N 288.391 3.789 30 20 CHED C=CCCNc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 157168798 DKJFIVSLFRPTQV-HNNXBMFYSA-N 286.419 3.998 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(C(F)(F)F)c1C 157696555 MUNURSWGEIYZRQ-JTQLQIEISA-N 299.296 3.828 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1F 7367550 RTFNKDQFXVDJSC-ONNFQVAWSA-N 299.345 3.796 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)C1(C)CC1 154255401 NONHPODRFHUZOH-NSHDSACASA-N 274.389 3.677 30 20 CHED Cc1ccc2c(CC(=O)O[C@H](C#N)C(C)(C)C)c[nH]c2c1 154428778 PMHPRDVKWIMMTO-OAHLLOKOSA-N 284.359 3.500 30 20 CHED COCCNc1ccc(-c2ccccc2C)cc1C#N 536955813 UEDJFPVNDLJBTG-UHFFFAOYSA-N 266.344 3.592 30 20 CHED COCc1ccc(CNc2ccc(C#N)cc2Cl)cc1 234750063 UFMLKMLYEOJYBG-UHFFFAOYSA-N 286.762 3.970 30 20 CHED C=CCCCCCCNCc1cnc2ccccn12 808419167 NHMHETZINONJNP-UHFFFAOYSA-N 257.381 3.560 30 20 CHED CC(C)CN(CCC#N)Cc1cccc2ccoc12 1117784039 MQOVGPJLPDMUQO-UHFFFAOYSA-N 256.349 3.804 30 20 CHED N#Cc1ccc(CN2CCCCCC2)c(Br)c1 260711426 BYTACYJWKXFUAJ-UHFFFAOYSA-N 293.208 3.697 30 20 CHED N#CCOc1ccc(CNCc2ccccc2Cl)cc1 34991201 UMIUYHOZMZXCDO-UHFFFAOYSA-N 286.762 3.532 30 20 CHED N#C[C@H](NC(=O)c1cc(Cl)ccc1F)C1CCCCC1 40360365 OFYWRDRSMGETQO-AWEZNQCLSA-N 294.757 3.681 30 20 CHED Cc1nc(N(C)[C@@H]2CCC[C@@H](C)C2)c(Cl)cc1C#N 311555735 JRMBGXXOYIKYTO-ZWNOBZJWSA-N 277.799 3.930 30 20 CHED CCC[C@H](C#N)NC(=O)CCc1ccc(Cl)cc1Cl 522583261 PQHWLVJPOZLATM-GFCCVEGCSA-N 299.201 3.734 30 20 CHED C=CCC1(NC(=O)c2ccc3cc[nH]c3c2)CCCC1 619115066 SYAPGAOBWYCSQN-UHFFFAOYSA-N 268.360 3.787 30 20 CHED N#Cc1ccc(CNC2CC3(CCCCC3)C2)s1 421351757 OVSILQCHAWAYAZ-UHFFFAOYSA-N 260.406 3.822 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 332704119 WIMPQYGSYYSGHX-SOUVJXGZSA-N 276.424 3.649 30 20 CHED N#Cc1cc(Cl)ccc1NCCSCC(F)(F)F 538766325 KXLFAMWJNICFSD-UHFFFAOYSA-N 294.729 3.919 30 20 CHED C=CC[C@H](CC)Nc1cc(Br)ccn1 336653520 LOAOVYUOUQEJNP-JTQLQIEISA-N 255.159 3.611 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H]1CC[C@@H](C)O1 470913860 SSPASNZACPCYHE-WBVHZDCISA-N 259.393 3.632 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1C[C@H]1C 583353325 LMDWIVLDPIJRJY-ZBFHGGJFSA-N 257.377 3.637 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)c(OCC)c1 692876111 JRXZMVXPNCBMDO-UHFFFAOYSA-N 259.349 3.526 30 20 CHED CC(Cc1ccc(O)cc1)=NOCc1ccccc1 814793276 XYYYZOQZTZWSNC-UHFFFAOYSA-N 255.317 3.527 30 20 CHED C=CCn1c(SCCC)nnc1-c1cccc(OC)c1 59807794 SEOFHVXWRQXATK-UHFFFAOYSA-N 289.404 3.642 30 20 CHED C=CCCC(=O)Nc1c(-c2cccs2)nc2ccccn12 102259910 WUZCWGBHZWNIIP-UHFFFAOYSA-N 297.383 3.968 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 111708755 OKSRLPXEJWUNOM-UHFFFAOYSA-N 270.376 3.605 30 20 CHED C#CCCCN[C@H](C)c1ccc(OCC)c(OCC)c1 178062073 PADZHNFSISNISH-CQSZACIVSA-N 275.392 3.548 30 20 CHED C=CCCCCCCNc1ncc([N+](=O)[O-])s1 310194741 FHEAXKBMMSTKDJ-UHFFFAOYSA-N 255.343 3.600 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 53365837 CNDFVYDEBWWUNJ-ZFWWWQNUSA-N 273.376 3.536 30 20 CHED C=CCSc1nnc(CCCc2ccccc2)o1 172973306 BRUFNVFLRIPYGD-UHFFFAOYSA-N 260.362 3.523 30 20 CHED C#CCOc1ccc(CN[C@H]2CCc3c(F)cccc32)cc1 113329852 ODTVRDREQUNBQN-IBGZPJMESA-N 295.357 3.615 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 172060168 IOUCPRFJXMZQKV-KGLIPLIRSA-N 290.407 3.799 30 20 CHED N#Cc1c(F)cccc1NCc1c(O)ccc2c1CCCC2 301472656 UNBAUBUYLJTKDQ-UHFFFAOYSA-N 296.345 3.894 30 20 CHED C=CCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 175852742 KTRVSJMAZAGWEG-KGLIPLIRSA-N 265.422 3.602 30 20 CHED CC(C)N(Cc1cn2ccccc2c1C#N)C1CCCC1 111178693 YEYAXVYWWUYCPN-UHFFFAOYSA-N 281.403 3.964 30 20 CHED C[C@@H](C/N=C(/N)Nc1ccccc1)Sc1ccccc1 304262665 CIDJLZFIZACLPG-ZDUSSCGKSA-N 285.416 3.594 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(F)cc1O 62745033 RDIYYTIIWUKFTC-LLVKDONJSA-N 286.306 3.607 30 20 CHED CCOCCC1(CNc2c(C#N)cccc2C#N)CCCC1 302900733 SUONDZCKUWSKPQ-UHFFFAOYSA-N 297.402 3.829 30 20 CHED CC(C)[C@H]1OCCC[C@H]1CNc1cccc(F)c1C#N 301591170 QQADYFMQCJCEBR-BLLLJJGKSA-N 276.355 3.560 30 20 CHED N#CCCNC(=O)C1(C2CCCCC2)CCCCC1 408294029 JVTAMSJQMUBXDS-UHFFFAOYSA-N 262.397 3.547 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1C 66416445 AQDTVRDRPGDMGH-BBRMVZONSA-N 270.376 3.599 30 20 CHED CC(C)C[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccccn1 125352926 AVIOGOHMQYBDNJ-QGZVFWFLSA-N 294.354 3.897 30 20 CHED N#Cc1ccc(N2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 301544035 DEHCNLJYENKOLA-AWEZNQCLSA-N 284.309 3.830 30 20 CHED CCO[C@H](CNc1c(C#N)cccc1C#N)c1ccccc1 302838698 YPMDFZYTAPUVOZ-QGZVFWFLSA-N 291.354 3.620 30 20 CHED CSCCCNc1c(C#N)cnc2ccc(Cl)cc12 301398320 OJZJOSLMWPKDNM-UHFFFAOYSA-N 291.807 3.925 30 20 CHED C[C@@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)C1CC1 187300175 NYDIEFGAYLFYJH-RFSCMCKOSA-N 276.424 3.647 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)NCc1cccc(C#N)c1 123090354 HQRFJYVRHHJXQQ-UHFFFAOYSA-N 287.407 3.572 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 183879094 LSZLWDFKSCQVEC-HUUCEWRRSA-N 292.810 3.888 30 20 CHED N#Cc1cccc(OC[C@H]2CCCC(F)(F)C2)c1 306033991 RZJMRSPDWFZXPM-LBPRGKRZSA-N 251.276 3.763 30 20 CHED Cc1ccc(C)c(C[S@](=O)Cc2ccc(C#N)cc2)c1 78288679 FUUJLFVOVHRXNZ-FQEVSTJZSA-N 283.396 3.624 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CCC1 188286654 RIHYJSFIIFVYOW-OAHLLOKOSA-N 287.403 3.625 30 20 CHED C=CCCC(=O)N[C@H](c1ccccc1)c1ccccc1OC 78567467 IFMZFCQCBGVZDH-LJQANCHMSA-N 295.382 3.867 30 20 CHED CCC(C)(C)N(C)C(=O)c1cccc(SCC#N)c1 79498765 GFLWDFCXWMGYKM-UHFFFAOYSA-N 276.405 3.563 30 20 CHED C=CCn1c(SCCCC#N)nnc1-c1cccs1 123152647 MZVNUVFSUDDQFI-UHFFFAOYSA-N 290.417 3.588 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(OC)cc1C 414151218 PVCXBTZJBYAPEH-VKJFTORMSA-N 289.419 3.635 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H](C)C(C)C 121569841 UAIWFYUTVIRELS-CYBMUJFWSA-N 252.402 3.647 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 181121319 SFXZTBFVSLZWGT-MRVPVSSYSA-N 294.305 3.587 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416710396 XKZHXJCGQVORMQ-KRWDZBQOSA-N 297.402 3.591 30 20 CHED CN(C(=O)c1cc2ccccc2o1)c1ccccc1C#N 128674613 PYBYSDSWLTUUCH-UHFFFAOYSA-N 276.295 3.581 30 20 CHED N#CCOc1cccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 315644054 ZKLDOSKADVBDNO-VINWQNLFSA-N 296.414 3.503 30 20 CHED CCOc1cc(F)ccc1N[C@@H]1CCC[C@@H](C#N)C1 185732375 OQXLGVRSNCRJNS-DGCLKSJQSA-N 262.328 3.719 30 20 CHED N#Cc1cccc(OCCCOc2cc(F)ccc2F)c1 71167775 YILXBWDDVVYHSO-UHFFFAOYSA-N 289.281 3.684 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412217024 PLRDSMYPYJPPNN-APWZRJJASA-N 298.430 3.969 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)Cc2ccccc2F)c1 78109958 YWPXIGDEXQSVSG-CQSZACIVSA-N 295.357 3.649 30 20 CHED C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccccn1 37393296 YKMPTDGWMKAEMS-SNVBAGLBSA-N 257.724 3.780 30 20 CHED COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 315886125 OZGRYUQKVSNPAC-NSHDSACASA-N 297.314 3.648 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1cncn1CC 417688955 YIAKAQJMVOMSMT-UHFFFAOYSA-N 295.839 3.806 30 20 CHED CC[C@H]1CN(C[C@H](C#N)CCC#N)CC[C@@H]1c1ccccc1 74798397 KWRRZJXLQOFLKL-LNLFQRSKSA-N 295.430 3.946 30 20 CHED CC#CCCSCc1nc(-c2ccccc2F)no1 187886200 QNVPZCWYHVIBJI-UHFFFAOYSA-N 276.336 3.522 30 20 CHED C#CCC(C)(C)C(=O)NCc1oc2ccc(F)cc2c1C 185271357 LBJJAICLUZIEBE-UHFFFAOYSA-N 287.334 3.546 30 20 CHED C=CCCOC(=O)c1cnc(Cc2ccccc2F)s1 185116006 GGPNZUBOURTELK-UHFFFAOYSA-N 291.347 3.606 30 20 CHED N#Cc1cnc(N2CC=C(c3ccccc3)C2)c(Cl)c1 371472646 FZLJEKQRDAUAMU-UHFFFAOYSA-N 281.746 3.510 30 20 CHED CCN(CCCSC)[C@@H](C)c1ccc(C#N)cc1 172721604 CYSHHTFMDSKCSX-ZDUSSCGKSA-N 262.422 3.694 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1Nc1ncc(C#N)cc1F 413213017 JJTMFASIVMJAFV-BZNIZROVSA-N 281.334 3.828 30 20 CHED COc1ccc(CNc2cc(C#N)ccc2OC(C)C)cc1 500997605 NGQUSWJZGLODPC-UHFFFAOYSA-N 296.370 3.966 30 20 CHED N#Cc1cccc(COc2ccc(F)c(Cl)c2)c1 70168561 GPHFCJUCPSUJHM-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#CCOc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 180559217 ZELJEAVTCLNABZ-SFHVURJKSA-N 296.345 3.505 30 20 CHED C=CCSCCN[C@@H](C)c1cc(F)ccc1F 180457929 QTJDQPJUXVHEDF-JTQLQIEISA-N 257.349 3.535 30 20 CHED CC(C)[C@@H](C)Sc1c(C#N)nnc2ccccc12 78589006 HJGLFLGEPMGYFZ-SNVBAGLBSA-N 257.362 3.638 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1ccc(F)cc1F 181578290 BSWHVFSEVXYYLL-LLVKDONJSA-N 266.335 3.945 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](CC)C1 508810948 FOQBHFMMHIAQTB-ZIAGYGMSSA-N 276.428 3.604 30 20 CHED C=CCSCCN[C@@H](C)c1sc(CC)nc1C 180454200 VTIXZNKCKSPEOY-JTQLQIEISA-N 270.467 3.584 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1NCC(C)(C)CC#N 414158426 AAZWOGIVPSXUFD-WBMJQRKESA-N 274.383 3.979 30 20 CHED CC[C@H](C)CC(=O)Nc1cccc(C#N)c1Br 416083386 VBKSHNKAUKKAFC-VIFPVBQESA-N 295.180 3.695 30 20 CHED C=CCNC(=O)Nc1ccc(Br)cc1C(C)C 89882487 OSTUWVXHLRXGPM-UHFFFAOYSA-N 297.196 3.880 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2/N=C(/O)C[C@H]1CCOC1 329794593 WATWQLUVNNQMSY-OCCSQVGLSA-N 291.391 3.985 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(F)cc(F)c1 45934856 PMWRHDATXQSAEC-UHFFFAOYSA-N 287.309 3.793 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 131064028 UMDIFVZAUDPMAJ-NWDGAFQWSA-N 295.308 3.800 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 132549376 RTCNBZACZGSSQK-HUUCEWRRSA-N 275.779 3.644 30 20 CHED CC[C@H](NC(=O)Nc1cccc(CC#N)c1)[C@H]1CC1(C)C 417208282 OJSORVZZINDQPC-CABCVRRESA-N 285.391 3.699 30 20 CHED C=CCc1ccc(OC(=O)C2(C#N)CCCCC2)c(OC)c1 194320817 FTOCJDKBQIJOOZ-UHFFFAOYSA-N 299.370 3.803 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1ccc(C)s1 130410472 FDWUUBVFPRTANF-UHFFFAOYSA-N 263.406 3.783 30 20 CHED Cc1ccc(C(C)(C)CNC(=O)c2cc(C#N)cs2)cc1 84096241 NAVQTLAQJMKZBX-UHFFFAOYSA-N 298.411 3.636 30 20 CHED CC(C)(C#N)CCCn1c2c(sc1=O)CCCCC2 135502918 CPNXBFHDVLXDJK-UHFFFAOYSA-N 278.421 3.509 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)c2snnc2C2CC2)CC1 329590868 TYQNKSUKRFVRDD-KOLCDFICSA-N 279.409 3.689 30 20 CHED CC1(C)CC[C@@H](C(O)=Nc2cccc(C3CC3)n2)O1 329276443 KHVRDENNYWWZNH-LBPRGKRZSA-N 260.337 3.505 30 20 CHED C=CCOC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 193342793 MEZWPRISKWMUGZ-UHFFFAOYSA-N 286.331 3.566 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](CC(C)C)C1 81065390 HETLQECIMCUHDY-OAHLLOKOSA-N 285.391 3.767 30 20 CHED CCn1c(-c2cc(F)cc(F)c2)nc2cc(C#N)ccc21 86635614 KUSYFZMWHODTBS-UHFFFAOYSA-N 283.281 3.873 30 20 CHED CC[C@H](CC(=O)Nc1scc(C)c1C#N)C(C)C 517431378 IMFYZTPHUPZVQU-LLVKDONJSA-N 264.394 3.939 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@H](C)C1CCCCC1 511647641 ZDJUXRVYYPRWDQ-KGLIPLIRSA-N 264.413 3.601 30 20 CHED O/C(=N/C[C@@H]1CCc2ccccc21)c1ncoc1C1CC1 328887427 OQFIXGRWYUEPQV-ZDUSSCGKSA-N 282.343 3.587 30 20 CHED CCc1ccc([C@@H](Nc2cncc(C#N)n2)C(C)C)cc1 420587686 POWNBIXQWOXNRS-KRWDZBQOSA-N 280.375 3.720 30 20 CHED CCO[C@H](C)c1nc(-c2cccc(C#N)c2)cs1 80744775 IXKFLZVRTSLJFW-SNVBAGLBSA-N 258.346 3.779 30 20 CHED O/C(=N/[C@@H]1CCCc2occc21)N1Cc2ccccc2CO1 329228866 CDPKEXFTJWJDHZ-OAHLLOKOSA-N 298.342 3.518 30 20 CHED N#Cc1ccc(CNc2ccc(N3CCCCC3)cn2)s1 131623156 BFESMFLGXDZNLG-UHFFFAOYSA-N 298.415 3.617 30 20 CHED N#Cc1ccc(NC(=O)NCc2ccccc2)cc1Cl 48474448 HYNQKNWCMADPOF-UHFFFAOYSA-N 285.734 3.533 30 20 CHED CCN(CCC#N)C(=O)[C@@H](c1cccc(Cl)c1)C(C)C 133379055 XNNBWNBPZXNLBH-OAHLLOKOSA-N 292.810 3.842 30 20 CHED Cc1cccc(C)c1CNc1ccc([N+](=O)[O-])cc1C#N 130497210 OIKWDPMEHMVDSJ-UHFFFAOYSA-N 281.315 3.695 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(c2ccccc2)CC1 193644309 XJARTBYMCAATBA-UHFFFAOYSA-N 297.423 3.995 30 20 CHED N#Cc1cc(F)cc(NCc2ccc(Cl)cc2)c1 227606812 VGNRXOYBBUDBLS-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1nnc([C@H](C)S[C@H](C)c2cccc(C#N)c2)o1 190907430 VJBNJKDGQIXKKJ-ZJUUUORDSA-N 273.361 3.805 30 20 CHED COc1ccc(COc2c(C)cc(C#N)cc2C)cc1F 88154768 AKFFAJMBWAVQLF-UHFFFAOYSA-N 285.318 3.902 30 20 CHED CCC1(CC)CCC(/N=C(/O)N[C@H](C(=N)O)C(C)C)CC1 331001929 FZWVNFZFEZLSCF-ZDUSSCGKSA-N 297.443 3.799 30 20 CHED Cc1cccc(C)c1CNCc1ccc(C#N)cc1F 178799410 ZQIDHWKRFDCATQ-UHFFFAOYSA-N 268.335 3.604 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2ncccc2c1 424589187 JLNJTZHWZQYSFM-UHFFFAOYSA-N 254.333 3.776 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)C1 424107664 OJXYBSKYZFTWPB-GZMMTYOYSA-N 298.173 3.807 30 20 CHED Cc1cc(C)nc(NN=C(CC(C)C)CC(C)C)n1 196860407 HFTFLHBQHRAFQE-UHFFFAOYSA-N 262.401 3.954 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H](C)C[C@H]2C)c1 425645494 PEBXIZRMKBCJRU-ZIAGYGMSSA-N 288.391 3.904 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CCCC[C@@H]2C)s1 425451486 MLMSLSWQQOZRCL-GWCFXTLKSA-N 276.405 3.947 30 20 CHED C=C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 518181559 FNLHBVDMAWNPCW-UHFFFAOYSA-N 269.388 3.677 30 20 CHED C[C@H]1CCc2nc(CN(CC#N)C3CCCC3)sc2C1 93563276 INKHEYJGYLKZDR-LBPRGKRZSA-N 289.448 3.536 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 336466055 JTLKBABJVNYEEM-CZUORRHYSA-N 284.403 3.748 30 20 CHED C[C@H](NC(=O)C1(C#N)CCC1)c1ccc(F)c2ccccc12 336392661 QDBXMRKKAYFVGC-LBPRGKRZSA-N 296.345 3.850 30 20 CHED C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H](C)C1 512294911 YQQHGXIWBWOFEK-HFAKWTLXSA-N 290.794 3.766 30 20 CHED CC(C)N(Cc1cccc(F)c1)C(=O)c1cccc(C#N)c1 338175000 JNCCTSLHULNSQL-UHFFFAOYSA-N 296.345 3.748 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2ccc(Cl)cc2n1C 426543281 IDGFWXCTSSAYKN-ZDUSSCGKSA-N 289.810 3.767 30 20 CHED CCOc1ccc(Nc2snc(Cl)c2C#N)cc1F 92620936 KZBBYXJOGOKVRD-UHFFFAOYSA-N 297.742 3.950 30 20 CHED CC(C)(C)CC/N=C(/O)c1cc(C(C)(C)C)on1 330885237 QKPMBBQPZSFNKU-UHFFFAOYSA-N 252.358 3.713 30 20 CHED CC[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1ccccc1 520029247 MKKYHQWSKVEMKS-HNNXBMFYSA-N 293.370 3.874 30 20 CHED CC[C@@H](Nc1cc(C#N)ncn1)c1cc(C)ccc1C 528221754 IMYGSJQBEUZKJW-OAHLLOKOSA-N 266.348 3.528 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 341853901 PEVMXYVADIJWPR-KBPBESRZSA-N 293.382 3.716 30 20 CHED N#CC1(Cc2cn(CCC3CCCC3)nn2)CCCCC1 603212979 CAJRZOAPXOIZGJ-UHFFFAOYSA-N 286.423 3.875 30 20 CHED N#CC1(F)CCN(Cc2cnc(C3CCCC3)s2)CC1 348714002 XLTNPJMKVAPHOE-UHFFFAOYSA-N 293.411 3.628 30 20 CHED C=CCCCSc1nc2cc(Cl)cnc2[nH]1 605075714 DPYHWPPNPXNRRV-UHFFFAOYSA-N 253.758 3.670 30 20 CHED CS[C@@H](CNc1c(C#N)cccc1C#N)C(C)(C)C 436360830 NVWAJHJQHYUDAY-ZDUSSCGKSA-N 273.405 3.620 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCc2c(F)cccc21 348221909 WKDVHGKSHLNLIN-OAHLLOKOSA-N 260.356 3.733 30 20 CHED N#Cc1ccc(OCc2cccc3c2CCOC3)cc1Cl 600861310 LNGFZNDYOBMWTR-UHFFFAOYSA-N 299.757 3.863 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C[C@H]1C[C@H]1c1ccccc1 341427711 XUMOSNHTPCKUMW-CJNGLKHVSA-N 294.329 3.830 30 20 CHED N#Cc1cc2c(nc1NC(=O)C1CCC=CCC1)CCCC2 602299735 KWNUHBVVDNUYNB-UHFFFAOYSA-N 295.386 3.517 30 20 CHED CCC(CC)(CC)[S@@](=O)Cc1ccc(CC#N)cc1 431173142 OKBRMZDBDBBJDG-IBGZPJMESA-N 277.433 3.970 30 20 CHED C=CCCCN(Cc1ccc(C#N)cc1)CC(C)C 609800089 IUJRYLONGHCHJH-UHFFFAOYSA-N 256.393 3.982 30 20 CHED C[C@H](CCC#N)CNC[C@H]1CCC[C@@H](C(F)(F)F)C1 602574366 ZIHXXLFHJBVNFC-FRRDWIJNSA-N 276.346 3.885 30 20 CHED C=CCN(C(=O)CCOCc1ccccc1)c1ccccc1 341079336 QUABVNAHGDZSFI-UHFFFAOYSA-N 295.382 3.813 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccnc(C2CC2)c1 341159118 NGIBPFQFFXIZLR-UHFFFAOYSA-N 285.391 3.551 30 20 CHED C[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1OC(F)F 342033919 CNMINEQRDHVXAT-PHIMTYICSA-N 280.318 3.532 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(CCC#N)Cc1ccco1 522191725 WWLYHXJKNJLXDB-CABCVRRESA-N 288.391 3.738 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCOc2c(Cl)cccc21 602530715 RZARAGXHWRHRHJ-BXUZGUMPSA-N 278.783 3.693 30 20 CHED COC(=O)[C@H](Sc1ccc(C#N)cc1)c1ccsc1 347681164 GMEVXGSIBDCOSR-CYBMUJFWSA-N 289.381 3.626 30 20 CHED Cc1c(Br)cccc1CNC[C@H](C)CCC#N 602705206 MIGTVXLYWAXGBK-LLVKDONJSA-N 295.224 3.787 30 20 CHED CCC1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 443506167 DFFYLUGVVYFRPI-UHFFFAOYSA-N 283.297 3.598 30 20 CHED CCc1ccc(CN[C@@H](CCC#N)c2ccccc2)cn1 352760555 QFJYABDBSYOTJE-SFHVURJKSA-N 279.387 3.779 30 20 CHED COC(=O)c1ccc(N[C@H](C)c2cccc(C#N)c2)cc1F 600850386 JLCUAYHJOICQEF-LLVKDONJSA-N 298.317 3.657 30 20 CHED C=C(CC)CN1CCN(CC(=C)CC)[C@H]([C@@H](C)CC)C1 539118499 KRKXENFMKAGSFD-ROUUACIJSA-N 278.484 3.951 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2sccc2C2CC2)n1 357508814 GBXSLZIPNQDUFB-LLVKDONJSA-N 288.397 3.881 30 20 CHED N#CC[C@@H](CC(=O)NC[C@H]1CC=CCC1)c1ccccc1 355162741 IZEPOOFUWAUSEL-RDJZCZTQSA-N 282.387 3.546 30 20 CHED Cc1csc(NC(=O)C[C@@H](C)c2ccco2)c1C#N 602337641 YHMFOOHMGLUODX-SECBINFHSA-N 274.345 3.654 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl 351965148 RBBDOZGDVQTHPQ-ZDUSSCGKSA-N 290.794 3.862 30 20 CHED COc1ccc(C)cc1CCNC1CCC(C)(C#N)CC1 449068876 VAXCGWSAKLOXDI-UHFFFAOYSA-N 286.419 3.608 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCCC(C)(C)C 531319664 YIRJVTYMKSUCIT-UHFFFAOYSA-N 273.380 3.815 30 20 CHED CC(C(=O)N[C@H](C)c1ccc(C#N)cc1)=C1CCCC1 267851666 LLFVHUDRGSCKOS-CYBMUJFWSA-N 268.360 3.626 30 20 CHED CC(C)N(Cc1ccccn1)Cc1cc(F)ccc1C#N 532345624 QXRRUWJOISNLHS-UHFFFAOYSA-N 283.350 3.503 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1cccc(C#N)c1F 537046914 RRTFRQORVQEDQN-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=CCN(C(=O)CC(C)(C)CC(=O)c1ccccc1)C1CC1 442880019 COWMRXKKXRZLGT-UHFFFAOYSA-N 299.414 3.853 30 20 CHED Cc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1C 618741603 GWDVPKLWXZXIHQ-IBGZPJMESA-N 276.383 3.952 30 20 CHED CC(C)C(NCc1ccc(Cl)cc1C#N)C(C)C 614182597 BCPMHVWWQFEZHS-UHFFFAOYSA-N 264.800 3.982 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)C[C@@H]1CC)c1ccccc1 536202878 FIZQDSNLZGKBHG-INMHGKMJSA-N 271.404 3.993 30 20 CHED Cc1cccc(O[C@H](C)CNCc2ccc(C#N)cc2F)c1 533446400 VJAZDCVWEHCUEZ-CQSZACIVSA-N 298.361 3.563 30 20 CHED CCCN(CC(C)C)C(=O)C[C@H](CC#N)c1ccccc1 354418306 LJUSSPAILZPDNK-KRWDZBQOSA-N 286.419 3.969 30 20 CHED C=C1CCN(C(=O)[C@@H](Cc2ccccc2)C(C)C)CC1 265818858 QXWYSBRVYJENOB-KRWDZBQOSA-N 271.404 3.680 30 20 CHED C=CCC[C@H](N[C@H]1CCO[C@H](C(C)C)C1)C1CC1 537935110 UPQBCGJETQPMLH-JYJNAYRXSA-N 251.414 3.524 30 20 CHED CC[C@H](NC[C@H]1CCCCS1)c1ccc(C#N)cc1 447603122 WSOTYWFOFCARQO-CVEARBPZSA-N 274.433 3.885 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC(C)(C)C1 358872831 IEZQQXKWMMSGKW-ZDUSSCGKSA-N 286.375 3.722 30 20 CHED CCCCN(C(=O)NC[C@@H](C)C#N)[C@@H](C)c1ccc(C)o1 611632874 MXDMUEHWTVVDNF-JSGCOSHPSA-N 291.395 3.620 30 20 CHED Cc1ccc(C2(CN[C@@H]3CC[C@@H](C#N)C3)CC2)c(C)c1 449381942 ZWUBMLUUANAWKW-HZPDHXFCSA-N 268.404 3.617 30 20 CHED C=C[C@H](C)N[C@@H](CC)c1ccccc1OC(F)F 358308768 ZDWYCDBXTFTISN-JQWIXIFHSA-N 255.308 3.903 30 20 CHED CCCCCCCC(=O)Nc1cc(C2CCOCC2)[nH]n1 266489633 PSWQVGHTGMAGTR-UHFFFAOYSA-N 293.411 3.603 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccnn2C(CC)CC)C1 617782995 QYAABMPXYJIUNP-AWEZNQCLSA-N 289.423 3.673 30 20 CHED C[C@@H](Nc1cc(C#N)ncn1)c1cccc(C(F)(F)F)c1 615276482 FJCYLQHMZZATJI-SECBINFHSA-N 292.264 3.540 30 20 CHED C=C(C)[C@H](CC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC)OCC 533707368 DEOHCCRWZPEXMD-LZWOXQAQSA-N 281.440 3.783 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccccc1F)C(C)C 459078430 OEFOVPIQDMFMSE-UHFFFAOYSA-N 278.371 3.712 30 20 CHED C=C(C)CCNC(=O)C[C@H](C)c1c[nH]c2ccccc12 452718200 OODPNKFQQXWAIX-ZDUSSCGKSA-N 270.376 3.744 30 20 CHED CC(C)[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612095440 WFBMJRKUYNLJMS-FUHWJXTLSA-N 299.418 3.719 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccsc1Cl 614132494 IPCNUUCMMKFYII-SECBINFHSA-N 255.770 3.582 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1cscc1-c1ccccc1 362125966 YDMJCUCAKQGYFM-HNNXBMFYSA-N 284.384 3.693 30 20 CHED CC1(C)CCC[C@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 618732728 CUHFQQKCKSSRIX-DOTOQJQBSA-N 296.414 3.878 30 20 CHED Cc1cnc([C@@H](Nc2nccc(C)c2C#N)C2CC2)s1 612085735 NIMWLXCCXMSGIJ-ZDUSSCGKSA-N 284.388 3.590 30 20 CHED CC1(C#N)CN(Cc2ccc(-c3c(F)cccc3F)o2)C1 459597430 URLLGBQASJNJTN-UHFFFAOYSA-N 288.297 3.570 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)c2cccc(C#N)c2)C1(C)C 610364632 SGKNNQLYRLMYLD-XYPHTWIQSA-N 296.414 3.974 30 20 CHED Cc1ccc(F)cc1-c1noc(C2(C#N)CCCCC2)n1 273867039 SMIDMVTVLCVJKR-UHFFFAOYSA-N 285.322 3.910 30 20 CHED N#CCCN=c1cc[nH]c2ccc(Oc3ccccc3)cc12 362666804 GGSBUCXVBBDKKC-UHFFFAOYSA-N 289.338 3.775 30 20 CHED C=CCN(C(=O)CCc1ccc(F)cc1)C(C)(C)C 622942923 GSVKPQMRCTXYHI-UHFFFAOYSA-N 263.356 3.571 30 20 CHED C=CCCCC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 279044766 XXKVEPKWKPNLMD-MRVPVSSYSA-N 292.326 3.695 30 20 CHED C=C[C@H](C)NC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 454658883 FKSYYOIVQGGEHJ-GOEBONIOSA-N 284.403 3.888 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H]1C[C@H]1c1ccccc1 452778979 ADQNACGQNNJWSJ-GJZGRUSLSA-N 257.377 3.509 30 20 CHED CCC(CC)CN(CCC#N)CC1CC(F)(F)C1 450463325 OAPFXZJPIQHJKE-UHFFFAOYSA-N 258.356 3.684 30 20 CHED N#CCCCN1CCC(Cc2cc(F)cc(F)c2)CC1 451923911 NMHLNOYPZFPVSB-UHFFFAOYSA-N 278.346 3.523 30 20 CHED C=CCOCCSc1nccn1-c1cccc(Cl)c1 549036812 SENLFBONXNYFBX-UHFFFAOYSA-N 294.807 3.820 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C)c(OC(F)F)c1 454788872 OXOCCLFYYQDLGU-UHFFFAOYSA-N 284.306 3.684 30 20 CHED CCC1(NC(=O)[C@@H](C#N)CCc2ccccc2)CCCCC1 456229328 JZBMJHMQQOUBBF-QGZVFWFLSA-N 298.430 3.988 30 20 CHED COCC[C@@H](Nc1cccc(F)c1C#N)c1ccc(C)o1 272192494 LBUCTAKSNHBICZ-OAHLLOKOSA-N 288.322 3.789 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCC[C@H]1CCc1ccccc1 540396827 GKFSZOYUMZSSKU-GBESFXJTSA-N 287.447 3.562 30 20 CHED CCN(C(=O)NCCCC#N)[C@@H](C)c1cc2ccccc2o1 273600796 ROAVMKHVHIPQHF-ZDUSSCGKSA-N 299.374 3.829 30 20 CHED C=CCOCc1nc(Cc2cc(Cl)ccc2Cl)no1 546431470 NCWAFQMNEJRTEM-UHFFFAOYSA-N 299.157 3.670 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)NCCc1cccc(C#N)c1 454940770 WSLGEIRFVHTAKW-OAHLLOKOSA-N 299.418 3.535 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1ccccc1Cl 278578953 RQPAKQUWCFNZOU-UHFFFAOYSA-N 264.756 3.633 30 20 CHED CC(C)(C#N)CCCC[S@](=O)c1ccc(Cl)cn1 278390523 ZVDYMNNCBZJITI-SFHVURJKSA-N 284.812 3.563 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1ccc(F)cc1Cl 466524254 CTHGXDFZXLNIAH-LBPRGKRZSA-N 299.773 3.719 30 20 CHED C=C[C@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1 465114187 LJQSUXZQOAEVOB-AWEZNQCLSA-N 297.354 3.548 30 20 CHED C=CC1CCN(C(=O)c2c(F)ccc(F)c2Cl)CC1 621863614 DDHVDSUREOAFCK-UHFFFAOYSA-N 285.721 3.656 30 20 CHED COc1ccc(Oc2ccc(CNC[C@@H](C)C#N)cc2)cc1 541763108 CCMPMDIQEPDRCY-AWEZNQCLSA-N 296.370 3.737 30 20 CHED CCCCCN(CCCCC)C(=O)NC[C@@H](C)C#N 541945938 SHFSDELCDZTDEI-AWEZNQCLSA-N 267.417 3.538 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCCCC12CCCC2 463546554 MEWLERYBNFBONH-AWEZNQCLSA-N 264.413 3.707 30 20 CHED C[C@](O)(CSc1ccc(C#N)cc1Cl)C(F)(F)F 281802958 IRRYNYVQWZJLMG-JTQLQIEISA-N 295.713 3.617 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCC=C(C)C 280968926 ZYSIYDOXNPXNJR-OAGGEKHMSA-N 251.414 3.692 30 20 CHED CC(C)c1occc1C(=O)Nc1ccccc1O[C@@H](C)C#N 280342993 MKQFFUYPHXRMAB-LBPRGKRZSA-N 298.342 3.946 30 20 CHED N#Cc1cc(C(=O)N2CCCC23CCCCC3)ccc1F 375147429 CUIRPDCYQOTWLV-UHFFFAOYSA-N 286.350 3.636 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(-c2ncco2)c1 286688995 GRQJDEPRDZLTAO-MRXNPFEDSA-N 283.331 3.528 30 20 CHED CC[C@]1(C)CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 465649887 BWZPWLDQGUIPFJ-KBXCAEBGSA-N 299.418 3.841 30 20 CHED CCCC(CCC)C(=O)Nc1cc(C#N)ccc1NC 557064845 DURATVXZSCJUSV-UHFFFAOYSA-N 273.380 3.755 30 20 CHED C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@H]1c1ccccc1 469330879 TYJAWTLPQZYQKT-FZKQIMNGSA-N 280.346 3.890 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ccncc2)C1 289383006 QFZCGRPZNADOOT-BEFAXECRSA-N 291.398 3.894 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 288604967 MTANDMFQBNFHPT-AAEUAGOBSA-N 288.391 3.747 30 20 CHED CSCc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 285567764 GKGNGEVDQUUALX-JKSUJKDBSA-N 274.433 3.722 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CCC1 479801966 IKNDWVKYQLWZMB-HUUCEWRRSA-N 261.409 3.818 30 20 CHED N#Cc1sc(N[C@H]2C[C@H]2Cc2ccccc2)nc1Cl 804504939 UNWGLODTMDAIRL-MNOVXSKESA-N 289.791 3.711 30 20 CHED C[C@H]1C[C@H](NCc2ccc(OCC#N)cc2)c2ccccc21 808706019 WGXXRGDDCIWGJA-LIRRHRJNSA-N 292.382 3.927 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CC[C@H](C)C1 474126755 UJADXJYYGJPCNI-QWHCGFSZSA-N 275.417 3.883 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N[C@@H](C#N)C(C)(C)C 291363890 BVQKIALCJDLLDK-KBPBESRZSA-N 290.432 3.612 30 20 CHED C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)CCCC#N)C1 291448820 LAVFPTMMWAWKDI-GDBMZVCRSA-N 270.376 3.680 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccc(F)cc1)C(C)(C)C 472772807 PQNSCTIRNQCOHT-JKSUJKDBSA-N 279.399 3.830 30 20 CHED C#C[C@H](Nc1ncccc1C#N)c1ccc(Cl)cc1F 804807589 IKFCGSNBKMCIME-AWEZNQCLSA-N 285.709 3.532 30 20 CHED N#CCCCC(=O)N1CC=C(c2cccc(Cl)c2)CC1 291897225 KSEWMKZLXSNRAQ-UHFFFAOYSA-N 288.778 3.650 30 20 CHED C=CCCC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 643612583 MGXNBLYCAYBIPF-SNVBAGLBSA-N 291.782 3.702 30 20 CHED C[C@H](C#N)OCCN1CCCCC[C@@H]1/C=C\c1ccccc1 801926068 MRCNISOYYVFZLX-BQRCBDCPSA-N 298.430 3.873 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1Cc1ccccc1C 479613631 ZNMXHYFPRPDCLX-KRWDZBQOSA-N 271.404 3.885 30 20 CHED C[C@@H](NC(=O)[C@@H]1CC12CCCCC2)c1ccc(C#N)cc1 477333296 SGSXUYDULPVRRR-CJNGLKHVSA-N 282.387 3.706 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(N2CCCCC2)cc1 806104174 YLVVHEDGYIZDEJ-OAHLLOKOSA-N 299.418 3.600 30 20 CHED C=C(C)CS(=O)(=O)N(CCC)[C@@H](CC)c1ccccc1 477540440 VQLYLLJWOFQBLM-INIZCTEOSA-N 295.448 3.756 30 20 CHED C[C@@H]1CC/C(=C\C(=O)Nc2cc(C#N)c3ccccc3n2)C1 809077231 NGFIBPBQXZPQTD-AUWXEVLLSA-N 291.354 3.791 30 20 CHED C[C@H]1CC/C(=C\C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 803315348 BRQUKYBQDBJZTG-CVCOIXHCSA-N 295.386 3.817 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCC[C@@H](N2CCCC2=O)C1 563444543 OJILSXZCIAVNFQ-GVDBMIGSSA-N 292.467 3.645 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](c3ccncc3)C2)CCC1 560531198 YTIWHFMUYCBFTH-MRXNPFEDSA-N 284.403 3.534 30 20 CHED C=CCCCCCCNC(=O)c1sc(NCC)nc1C 807775475 MMPUOGNSLNPMEJ-UHFFFAOYSA-N 295.452 3.750 30 20 CHED Cc1nc(C(C)C)ccc1CN(CC#N)C1CCCC1 292989963 FXMPOUMWBMBNFB-UHFFFAOYSA-N 271.408 3.782 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cc(C)oc1C 807990551 IEDGYAYDJPTOKQ-UHFFFAOYSA-N 287.319 3.949 30 20 CHED CCC[C@@H](N=c1cc(C)[nH]c(C#N)c1)c1ccccc1 568776657 XVPKMVZFDZDKTA-QGZVFWFLSA-N 265.360 3.637 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)Nc1cccc(C#N)c1 473432800 GWXXCFXCTYEMQE-ZIAGYGMSSA-N 293.370 3.872 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 646453438 PWLLTEANJIQCTP-KBPBESRZSA-N 298.390 3.579 30 20 CHED C[C@@H](C#N)OCCN(C)c1ccccc1Oc1ccccc1 801931741 OAEHCWPIYFAHAR-HNNXBMFYSA-N 296.370 3.844 30 20 CHED N#Cc1sc(NC2(Cc3ccccc3)CC2)nc1Cl 811845825 BVBNTGYCPIALRG-UHFFFAOYSA-N 289.791 3.855 30 20 CHED Cc1cc(C=NN[C@@H](C)COc2ccccc2)c(C)s1 811664920 KBDAVROEZRFVQC-LBPRGKRZSA-N 288.416 3.756 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCCC2 488849353 FIQABCNTRKZEED-CYBMUJFWSA-N 275.417 3.808 30 20 CHED FC(F)(F)CCNN=C1CC[C@H](c2ccccc2)C1 814920934 ZJBNLWWCBNXTOI-LBPRGKRZSA-N 270.298 3.852 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 819736647 MHDVBGNDQXVUAE-HNNXBMFYSA-N 282.387 3.661 30 20 CHED N#Cc1cccc(C2(NC[C@H]3C[C@@H]3c3ccccc3)CC2)c1 578891572 RXVNRPGDVFDCJZ-IEBWSBKVSA-N 288.394 3.941 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC2(CC1)CC2 811664555 FXZFMOKXSXXQAK-CQSZACIVSA-N 272.392 3.754 30 20 CHED CCOc1cc(C=NOCCC2CC2)cc(Cl)c1O 814246558 RSUQGTYERBWUPK-UHFFFAOYSA-N 283.755 3.595 30 20 CHED C=CCC1(C(=O)N2C[C@@H](CC)OC[C@H]2C)CCCCC1 650472217 ALNDXKPIMULCFA-HUUCEWRRSA-N 279.424 3.539 30 20 CHED C=CCCCS(=O)(=O)N(C)[C@@H](c1ccccc1)C(C)C 489285916 DVTZYXXVMJFPBK-MRXNPFEDSA-N 295.448 3.612 30 20 CHED N#Cc1ccc(NCc2cc3ccc(F)cc3[nH]2)cc1 486343662 NJVPIZVMCFMKMA-UHFFFAOYSA-N 265.291 3.791 30 20 CHED N#Cc1cccc(NCc2cc(Cl)c(F)cc2O)c1 816480207 GOKRNMBMYVOIGL-UHFFFAOYSA-N 276.698 3.668 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3cccc(C#N)n3)C2)cc1 486483827 DKHMGWNXVXQNSC-ZBFHGGJFSA-N 277.371 3.644 30 20 CHED CCCCCC[C@@H](CC)C(=O)NC1(C#N)CCC1 813080137 AVTKJTHTIIGIQZ-CYBMUJFWSA-N 250.386 3.545 30 20 CHED C=CCCCCOC(=O)c1csc(C2CC2)n1 811008244 BYLOZRYQGQUXLY-UHFFFAOYSA-N 251.351 3.534 30 20 CHED Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1F 577525401 JDLUUWBGIRNZGC-INIZCTEOSA-N 272.323 3.547 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 814858458 YOEIABPZQWPBHO-CQSZACIVSA-N 297.345 3.720 30 20 CHED CCCCCC[C@@H](CC)C(=O)N[C@@]1(C#N)CC1(C)C 813300662 IVMYCQXFJTVFGP-CZUORRHYSA-N 264.413 3.791 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cccc(CO)c1 814686488 JCAWAYZANFULTR-UHFFFAOYSA-N 297.383 3.625 30 20 CHED C=C(C)CCN1CCC[C@H]1c1ccc(Br)cn1 577045454 PJIVJATYOGYRGA-AWEZNQCLSA-N 295.224 3.947 30 20 CHED C=CC(C)(C)CNC(=O)N1CC(C)(C)c2ccccc21 656172497 CBOVWCWADKRUEB-UHFFFAOYSA-N 272.392 3.706 30 20 CHED O=C1/C(=C\C2=Cc3ccccc3OC2)Oc2ccc(F)cc21 726740351 CPEWXIMRZJWLOJ-CAOOACKPSA-N 294.281 3.761 30 20 CHED CC(C)C#CC(=O)Nc1ccc(CN2CCC(C)CC2)cc1 822337470 OOJYFJSHRFYXOM-UHFFFAOYSA-N 298.430 3.516 30 20 CHED C=CCCCCS(=O)(=O)[C@@H](C)c1cccc(C)c1 570421478 BEPOVZZWYMWJSB-AWEZNQCLSA-N 266.406 3.827 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc2cc[nH]c2cn1 654138534 QEKNVFALIOYRSI-UHFFFAOYSA-N 286.379 3.773 30 20 CHED C=CCCOC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 729072741 XAESLVNYUBDAMV-CQSZACIVSA-N 297.354 3.955 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 572927351 JGUUXGGZVVGEPE-CYBMUJFWSA-N 295.342 3.818 30 20 CHED C#CCCCOc1cccnc1NCc1ccc(C)cc1 820598886 LXKGOIXAHFGSOP-UHFFFAOYSA-N 280.371 3.794 30 20 CHED C=C(C)CS[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 574480248 ONFRXNCQAUUHPQ-ORVZXPRGSA-N 293.476 3.769 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 571608194 UHOPVENSWNNPKO-MOPGFXCFSA-N 299.414 3.585 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C/C=C\C 492679739 PFMWGBRNJJPXNL-HCRNJAACSA-N 255.361 3.724 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1ccc(F)cc1F 663858327 IIWXAVOFNNMFKB-UHFFFAOYSA-N 282.334 3.509 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2cccc(F)c2)CC1 826671421 KNDWJSFGYUUZCE-UHFFFAOYSA-N 275.367 3.744 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc3c(c1)CCO3)C2=O 729149351 DFQWXOLFTGPOCS-GDNBJRDFSA-N 276.335 3.752 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(O)Cc1ccc(F)cc1 901371793 IHJNHYHNROXNNA-HIFRSBDPSA-N 279.355 3.760 30 20 CHED CC1(C#N)CCC(Nc2ccc3c(c2)OCCCO3)CC1 823684097 PHYNXRZVQCXLSD-UHFFFAOYSA-N 286.375 3.732 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C=C/c1cccc(O)c1 493433843 ZLIGHDFQRXKGBJ-CMDGGOBGSA-N 299.395 3.682 30 20 CHED Cc1cccc(C(=O)/C=C/c2nc(C)c(C)[nH]2)c1C 901476113 DAQYUPMOVQQDQV-CMDGGOBGSA-N 254.333 3.539 30 20 CHED C[C@H](C(=O)OCCCCC1(C#N)CCC1)C(C)(F)F 909349886 HUGVNOPAOPBBAZ-LLVKDONJSA-N 273.323 3.685 30 20 CHED C=C(Cl)CNC(=O)N[C@H](c1ccccc1)C1CCCC1 736399184 ULMHQDXLYFDZLA-OAHLLOKOSA-N 292.810 3.970 30 20 CHED C=C(C)COC(=O)[C@H](CC)Sc1ccccc1 732497182 KYCVUDQABXLAEP-ZDUSSCGKSA-N 250.363 3.677 30 20 CHED CC(C)CCCCC(=O)OCCCC1(C#N)CCOCC1 838430804 UVXOMPIRUOVWHM-UHFFFAOYSA-N 295.423 3.847 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(Cl)ccc2F)C1 839043578 KEWFXWADWBMXSA-ONGXEEELSA-N 281.714 3.718 30 20 CHED CC[C@](C)(C=NNc1nccc2sccc12)OC 834942168 MJVJQXXOFCEDBU-CYBMUJFWSA-N 263.366 3.509 30 20 CHED N#Cc1ccc(COC(=O)/C=C\C2CCCCC2)cc1 735562811 OBMSFLLYSNPTBU-KHPPLWFESA-N 269.344 3.738 30 20 CHED CCC1(CC)CN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 839133001 UEACLARLWCODQM-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C=C[C@H](CC)Cc1nc(C(C)(C)c2ccncc2)no1 904149994 KOMDHEGDFSKQTJ-GFCCVEGCSA-N 271.364 3.545 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1ccsc1C#N 1352561761 NIKAANWBVLWCDS-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CSCC1CCC(=NNc2nccnc2C(C)C)CC1 834977521 MPNJXRIPCQNQRR-UHFFFAOYSA-N 292.452 3.921 30 20 CHED C=C(CNC(=O)c1ccc(C)cc1F)c1ccccc1 672480883 JXDHLVNHJLYDPW-UHFFFAOYSA-N 269.319 3.577 30 20 CHED C[C@H](NC(=O)N1CCCCCCCC1)c1ccc(C#N)cc1 836242861 QPYXBCXBOBBREQ-HNNXBMFYSA-N 299.418 3.985 30 20 CHED C#CCCOc1ccc(-c2nc(C3CCCC3)no2)cc1 904354008 ZUZFXENRXGYKTR-UHFFFAOYSA-N 282.343 3.796 30 20 CHED N#CC1(CSc2nc3ncc(Cl)cc3o2)CCC1 901672931 OZJBTBQJTYRZAI-UHFFFAOYSA-N 279.752 3.662 30 20 CHED CC[C@](C)(C=NOc1ccccc1C(F)(F)F)OC 834966531 JPTNLSLGBWWUOH-GFCCVEGCSA-N 275.270 3.885 30 20 CHED C=C(Cl)CN[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 838987310 BQCZUXQCRWOAOS-RBSFLKMASA-N 297.851 3.667 30 20 CHED C=C[C@@H](CC(=O)NC1CC(C(F)(F)F)C1)c1ccccc1 580912989 FFXKNILNACSONG-XGNXJENSSA-N 297.320 3.803 30 20 CHED CCCCc1ccc(NC(=O)c2cccc(C#N)n2)cc1 589255469 JTGZLWUTMHDWSC-UHFFFAOYSA-N 279.343 3.548 30 20 CHED CCCCCCCCC(=O)N(C)C[C@@H]1CCCCO1 918394200 JEGDIVKVLBRAML-HNNXBMFYSA-N 269.429 3.765 30 20 CHED C[C@@H]1CCN(C[C@H](O)CC(C)(C)C#N)CC12CCCCC2 598603804 GWSHSSIPCKAUBL-HZPDHXFCSA-N 292.467 3.579 30 20 CHED Cc1csc(NC(=O)NC(C)(C)c2ccccc2)c1C#N 590605628 WXTNHEJDPZUGPD-UHFFFAOYSA-N 299.399 3.985 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1c(F)cccc1F)C2 747439432 AGPBKNAIZVVLAY-FLIBITNWSA-N 286.277 3.796 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccc(Cl)nc2)c1 748998977 UPPNQRMVKCSLLM-GQCTYLIASA-N 268.703 3.503 30 20 CHED CCOc1cc(Cl)ccc1NCC1(CC#N)CC1 594703881 ZGAZSSJKKFBOJZ-UHFFFAOYSA-N 264.756 3.844 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1CC#Cc1ccc(F)cc1 679542727 BNLCYKFMVIGVLQ-OCCSQVGLSA-N 299.311 3.840 30 20 CHED CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@H](C)C#N 598346083 DSBQPZPYRTUOGO-OAHLLOKOSA-N 292.382 3.657 30 20 CHED C=CCCC(=NNc1ncnc2ccsc12)C1CC1 747762800 GZXFZUVFDJCGJO-UHFFFAOYSA-N 272.377 3.835 30 20 CHED C/C(=C\C(=O)Nc1nc(Cl)c(C#N)s1)C(C)(C)C 841224437 PJHGKTRONAIZEQ-FNORWQNLSA-N 283.784 3.599 30 20 CHED N#Cc1ccc(SCc2cc(C3CC3)no2)cc1 594885556 HWJKHTJOHWXAMN-UHFFFAOYSA-N 256.330 3.716 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C 594448832 WSPCZLGFBGMDEY-HNNXBMFYSA-N 297.402 3.541 30 20 CHED N#Cc1cncc(-c2cccc(OC3CCCC3)c2)c1 592986155 VODFAPIKMPAELW-UHFFFAOYSA-N 264.328 3.942 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)cc1C 748147804 JUSYONRWAYPLQF-YVMONPNESA-N 297.310 3.813 30 20 CHED c1cc(CON=C2CCC2)cc(CN2CCCCC2)c1 842031456 TWXPLIOUTDWLER-UHFFFAOYSA-N 272.392 3.729 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCC1=CCCC1 595097350 TWHLZICDLMBUHR-QGZVFWFLSA-N 252.361 3.636 30 20 CHED N#CC1(Cc2nc(-c3ccc(Cl)o3)no2)CCCCC1 596593905 USARDZQTNWPPGF-UHFFFAOYSA-N 291.738 4.000 30 20 CHED Cc1cc(C)nc(NN=C[C@@]2(C)C[C@@H]2c2ccccc2)n1 841601598 FOSFGFPCXOGHPB-NVXWUHKLSA-N 280.375 3.685 30 20 CHED CCCC(CCc1ccccc1)=NNc1cc(C)ncn1 740762950 QBIYNJODVKNKQQ-UHFFFAOYSA-N 282.391 3.986 30 20 CHED CC[C@@H]1CCCCC1=NNc1ncc(Br)cn1 848420974 OAYJEWMCAKLNPR-SECBINFHSA-N 297.200 3.607 30 20 CHED C#C[C@H](NC(=N)Nc1c(CC)cccc1CC)C(C)(C)C 849077790 OTHIPYBYJUYTDN-HNNXBMFYSA-N 285.435 3.796 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3cccc(C)n23)s1 748997808 HODBABZKXDECIV-FPLPWBNLSA-N 282.368 3.909 30 20 CHED N#CCCCCN[C@@H]1CCc2cc(F)c(Cl)cc21 599025999 GXXBVJNVFHSJPZ-CQSZACIVSA-N 266.747 3.750 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(SC)oc1C 598822880 KNQFLCGQSKYMIL-UHFFFAOYSA-N 294.420 3.902 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(C#N)[nH]1 598557168 COPWHKSBVNKDJI-AWEZNQCLSA-N 289.423 3.955 30 20 CHED c1ccc(N=C2NN=C(C3CCCC3)CS2)cc1 743276918 DCKRFRJDCJZSGD-UHFFFAOYSA-N 259.378 3.557 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H](C)Cc1cccs1 741463703 HSASCYUDFPMDPW-UEMWTREESA-N 289.400 3.760 30 20 CHED Cc1cccc2[nH]c(CNCC(C)(C)CCC#N)cc12 594954775 OAXWVMSHARYIPK-UHFFFAOYSA-N 269.392 3.896 30 20 CHED N#CCC[C@H](C#N)CN1CCC[C@@H](C2CCCCC2)C1 595881728 VFFNCSGKGIFPQK-NVXWUHKLSA-N 273.424 3.722 30 20 CHED C=CC[C@@H](NC(=O)N1CC[C@@H](C2CCC2)C1)c1ccncc1 840301478 VBYBXHZRRJCAKP-IAGOWNOFSA-N 299.418 3.530 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@H]2CCCC2(F)F)c1 840710544 TUDCUUAHDOLSMO-HALGXTDHSA-N 283.318 3.645 30 20 CHED C#CCCCC(=O)OCC(=O)c1c(Cl)cccc1Cl 848746669 ZEQNKKCVEBKRSL-UHFFFAOYSA-N 299.153 3.523 30 20 CHED C=CC[C@@H](C)C(C)=NNc1cccc(C(=O)O)c1C 844623833 MWSSZRXHGZEVID-SNVBAGLBSA-N 260.337 3.693 30 20 CHED O=C1/C(=C/c2coc(-c3ccccc3)n2)Oc2ccccc21 749893296 FNIBJLWGPKYFEU-YBEGLDIGSA-N 289.290 3.958 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)Cc1ccccn1 847200882 CSLZBKMJXUIIOC-HNNXBMFYSA-N 276.424 3.879 30 20 CHED CC[C@](C)(C#N)NC(=O)/C=C(\C)c1cccc(Cl)c1 749933825 LXCFORHCGVZEHC-KUCQQTCKSA-N 276.767 3.552 30 20 CHED C#C[C@@H](OC(=O)[C@@H](SCC)C(C)C)c1ccccc1 842389777 NHTFZLUBKNGJLV-CABCVRRESA-N 276.401 3.682 30 20 CHED C=C(C)CONC(=O)Nc1cccc(C2CCC2)c1 844666997 NJIMDGLNQQASNZ-UHFFFAOYSA-N 260.337 3.583 30 20 CHED CC[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1O 759712935 CHLGVQLTCQVWNW-CQSZACIVSA-N 286.375 3.809 30 20 CHED CCc1cccc(CC)c1NC(=O)N1CCC[C@@H](C#N)C1 929215498 OBRCOONTLKEBFI-ZDUSSCGKSA-N 285.391 3.579 30 20 CHED C/C=C/C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 920009999 MWFIUYRBBRBBMI-GORDUTHDSA-N 278.311 3.865 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1nc2ccccc2s1 924576846 YXPIQZQSDAKOSR-LBPRGKRZSA-N 287.432 3.757 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc(C(C)C)c(C)s1 855238645 YFKFJNDGBWQTRX-UHFFFAOYSA-N 274.336 3.725 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)CSc2ccccc21 755577162 RXIADJCJEJOOJJ-XFFZJAGNSA-N 286.327 3.903 30 20 CHED Cc1ccc(NN=C[C@@H]2CCOc3ccccc32)cc1 752157794 QHFIDUCQFBQCBL-AWEZNQCLSA-N 266.344 3.959 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1noc(-c2ccccc2)n1 925273336 FIIZAGNALCHENX-STQMWFEESA-N 298.390 3.716 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1noc(-c2ccccc2)n1 925273334 FIIZAGNALCHENX-OLZOCXBDSA-N 298.390 3.716 30 20 CHED N#Cc1ccc(CNCCC2=CCCCC2)c(F)c1 51770444 UVINIJKNLYWGDG-UHFFFAOYSA-N 258.340 3.677 30 20 CHED C=CC[C@@H](C(=O)OCC(C)(C)n1cccn1)c1ccccc1 851309203 ZPEJYSMVLAPMHI-MRXNPFEDSA-N 298.386 3.521 30 20 CHED C#CC[C@@H](N[C@@H](C)C1(Br)CC1)c1ccccc1 925634010 HRDUIKMAJQZTFW-GXTWGEPZSA-N 292.220 3.657 30 20 CHED C[C@H](N[C@@H]1CCCc2cccnc21)c1ccc(C#N)cc1F 927061883 URFIEOCLYFVNTF-YVEFUNNKSA-N 295.361 3.821 30 20 CHED Cc1cc(C)c(O)c(CN(C)c2ccc(C#N)cc2)c1 754755786 KNGLDGOJRZFCHK-UHFFFAOYSA-N 266.344 3.517 30 20 CHED CC1=CC(=NN=c2cc[nH]cc2Cl)CC(C)(C)C1 756842381 OZWKHDFUOLFNOU-UHFFFAOYSA-N 263.772 3.691 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)cc2O)cc(OC)c1 757476369 QJFOEVXOEJUEBH-ALCCZGGFSA-N 298.338 3.614 30 20 CHED Cc1cc(Cl)ncc1OCCCC(C)(C)C#N 753828089 CRAREBAUEBFHIS-UHFFFAOYSA-N 252.745 3.752 30 20 CHED C[C@H](O)CN(C)N=C1CCCC[C@@H]1c1ccccc1Cl 853356556 HTOGGEHHTRBYFI-GXTWGEPZSA-N 294.826 3.666 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1CC[C@H](C)C1 759217991 BRKOVPPLSQFVRC-QWHCGFSZSA-N 289.350 3.603 30 20 CHED C[C@@H](NN=Cc1cccc2[nH]ccc12)c1ccccc1 755664697 ORVXMMPNRUEOKZ-CYBMUJFWSA-N 263.344 3.853 30 20 CHED C#C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)C1CC1 767521633 OOCXYKGITPZOQS-QYZOEREBSA-N 290.362 3.898 30 20 CHED C=C[C@@H](CC)CC(=O)NC1CCC(N2CCCCC2)CC1 934296333 DTAFYYIVIWORNO-GTPINHCMSA-N 292.467 3.502 30 20 CHED CCOc1ccc(C(C)=NNc2cccc(C#N)c2)cc1 767335894 HZVWTSCYALDBQI-UHFFFAOYSA-N 279.343 3.793 30 20 CHED N#Cc1ccc(CNN=C2CCC(C(F)(F)F)CC2)cc1 766024296 DDYPEXPBYUULLZ-UHFFFAOYSA-N 295.308 3.756 30 20 CHED CCCCCCCCC(=O)NCc1cccnc1C 862951967 QZXFNGROWNNCKR-UHFFFAOYSA-N 262.397 3.757 30 20 CHED CC[C@@H](C)CON=Cc1ccc(OC(F)F)c(OC)c1 764535762 PCKWEPDJBUJICV-SNVBAGLBSA-N 287.306 3.693 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 933851920 XCWNQCTZLDRMSO-LBPRGKRZSA-N 299.374 3.840 30 20 CHED Cc1ccc(NC(=S)Nc2cc(CC#N)ccn2)cc1C 763168343 FNIMPODOQGOWLX-UHFFFAOYSA-N 296.399 3.573 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc2c(cnn2C(F)F)c1 935017149 KTBHEVSULCJMMB-JTQLQIEISA-N 293.317 3.972 30 20 CHED C=CCc1ccccc1OC(=O)c1ccc2nccnc2c1 761101329 VSQSMWFHQJMXTI-UHFFFAOYSA-N 290.322 3.578 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc([N+](=O)[O-])s1 769841736 VDIBZLSRKIQMNV-UHFFFAOYSA-N 279.296 3.550 30 20 CHED N#Cc1ccnc(S[C@H]2CCc3c(F)cccc32)c1 1116192052 VFFDAVVJHSZDGC-AWEZNQCLSA-N 270.332 3.872 30 20 CHED C=CCOc1ccc(COC(=O)c2ccoc2Cl)cc1 764881604 VQBLXADMRIXYNW-UHFFFAOYSA-N 292.718 3.855 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc(O)c(Cl)c1 761884504 HOYVAYCZHRGGEE-UHFFFAOYSA-N 294.713 3.639 30 20 CHED CC(=NNc1ncnc2ccsc12)c1ccc(C)cc1O 764833902 BRBOUDLHKUWCTC-UHFFFAOYSA-N 298.371 3.541 30 20 CHED Fc1ccccc1CCNN=C/C=C/c1ccccc1 764718142 UNXYPVUXADGMDP-WUNXHIKHSA-N 268.335 3.657 30 20 CHED C=C(CC)COC(=O)c1cc(Cl)cc(Cl)n1 762941964 PAMDRWNLXAGKAA-UHFFFAOYSA-N 260.120 3.511 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ncccc1Cl 766010914 PWRLMZWNJUVWOT-VIFPVBQESA-N 251.761 3.959 30 20 CHED C[C@H]1CC[C@H](C=NNc2cncc(Br)c2)C1 1116935866 PQOYVRPKTSAABE-UWVGGRQHSA-N 282.185 3.678 30 20 CHED C#Cc1cccc(NC(=O)COc2cc(Cl)ccc2C)c1 779953776 HLIOOBZXWWTCRY-UHFFFAOYSA-N 299.757 3.647 30 20 CHED O=C(/C=C\c1ccsc1)c1ccc(-n2cccn2)cc1 878902500 WLEBAJVLXHLNFH-UQCOIBPSSA-N 280.352 3.830 30 20 CHED C#C[C@H](N[C@H](C)c1cccc2ccccc12)[C@@H]1CCCO1 775571566 IKLFGRADKPQQRB-CCKFTAQKSA-N 279.383 3.671 30 20 CHED N#Cc1ccc(C(=O)Oc2cccc3[nH]ccc23)cc1Cl 778654256 KUGIVJFEYBGCPC-UHFFFAOYSA-N 296.713 3.912 30 20 CHED Cc1cccc2sc(NN=C3CCO[C@H](C)C3)nc12 872419705 RTRNEZDWUQBKSM-SNVBAGLBSA-N 275.377 3.572 30 20 CHED O=C(/C=C\c1c(F)cccc1Cl)c1cscn1 776190615 ATRRTXBRZGPINS-PLNGDYQASA-N 267.712 3.832 30 20 CHED C=CCC[C@@H](/N=C\c1ccc(O)c(O)c1O)c1ccccc1 771836101 JTFVNMXEDDOJKU-VUFYJBQKSA-N 297.354 3.930 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc2[nH]ccc2c1 873554034 XPLGXZGMOAUACR-UHFFFAOYSA-N 270.332 3.541 30 20 CHED CC/C(C)=C(/C)C(=O)N(CCC#N)CC(C)(C)C 779932002 VEKNLRLSFKTDTP-SEYXRHQNSA-N 250.386 3.521 30 20 CHED CC(C)c1nccnc1NN=C1CCCc2ccccc21 773086756 SUSAPXXPTJNPPX-UHFFFAOYSA-N 280.375 3.753 30 20 CHED C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1csc2ccccc12 776967194 WDESTXISROWCLP-JTQLQIEISA-N 295.367 3.592 30 20 CHED CC(C)c1nccnc1NN=C/C=C\c1ccccc1 773091032 MINXFCOSMVORRY-ROIPMTIQSA-N 266.348 3.711 30 20 CHED CN(C(=O)CCCC1CC1)c1ccc(C#N)c(Cl)c1 876168325 OZLJWFGLPPJRQG-UHFFFAOYSA-N 276.767 3.755 30 20 CHED CCc1ccc(/C=C2/C(=O)Nc3cc(C#N)ccc32)cc1 773158332 BSVGWWWKVFZWKS-CXUHLZMHSA-N 274.323 3.613 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NN[C@H]1CCO[C@@H](C)C1 872364574 OGWQBVUIUAPKQW-HOCLYGCPSA-N 299.418 3.634 30 20 CHED CCOc1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1 776113425 NXKPBIWFHOQFBN-UHFFFAOYSA-N 295.338 3.508 30 20 CHED C=CCC[C@H](C(=O)O[C@@H](C)c1cnccn1)c1ccccc1 778622072 NRWUHFCYLMANBK-HOCLYGCPSA-N 296.370 3.831 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(F)F)cc1 885582794 NOZXMNBDBFESFI-OAHLLOKOSA-N 283.318 3.792 30 20 CHED N#Cc1ccc(Oc2cc(C(F)F)ncn2)c(Cl)c1 1559056328 CNQUQKHLCGQZAN-UHFFFAOYSA-N 281.649 3.732 30 20 CHED C[C@H](COc1ccccc1)N[C@H](C)c1ccc(C#N)c(F)c1 776733639 BULSNCWLAOMVFQ-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED COc1ccc(C=NOC2CCCC2)cc1Cl 774606957 IPHDLXCJOWOIJZ-UHFFFAOYSA-N 253.729 3.642 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 887701582 CHTLMICIOPHORV-RDTXWAMCSA-N 296.414 3.700 30 20 CHED CCCCCCCCC(=O)Nc1cccc(NC(N)=O)c1 889385845 JUJFHGBGIAXVEE-UHFFFAOYSA-N 291.395 3.866 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc(Cl)cc1F 783510748 BALPBLVICFOJHX-UHFFFAOYSA-N 293.685 3.833 30 20 CHED COc1cc(C)c(C(C)=NNCCC(C)(C)C)cc1OC 782907642 LPDIMVBZMPCXKX-UHFFFAOYSA-N 292.423 3.762 30 20 CHED C=C(CC)C(=O)Nc1cccc(COCC2CC2)c1 1123512353 LZQHTMMGEMOLKU-UHFFFAOYSA-N 259.349 3.518 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 1120593906 HPKIAHANLRIZAN-MRXNPFEDSA-N 297.402 3.891 30 20 CHED CS[C@@H](C/N=C\c1ccccc1O)C(C)(C)C 783682597 XTRFMEIKADJQRB-GRRFOWRYSA-N 251.395 3.589 30 20 CHED COc1cc(NN=C(C)c2cncs2)ccc1Cl 788467181 DWESFISQSCZKQL-UHFFFAOYSA-N 281.768 3.641 30 20 CHED CC[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CC1(C)C 1129857543 AQHMWNNSTMEXEQ-JSGCOSHPSA-N 290.794 3.766 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1nc(C2CC2)cs1 1123987154 WPDBTLNLGVSKCP-LBPRGKRZSA-N 276.405 3.591 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H]1c1ccccc1 81574980 IEJKMOPIRGPCNR-KDOFPFPSSA-N 262.356 3.751 30 20 CHED C=CC[C@@H](CC)NCc1cc(Br)cs1 389263585 IMZARBCNOYLOSX-SNVBAGLBSA-N 274.227 3.955 30 20 CHED Cc1c(C(=O)OCC2(C#N)CCCC2)cnc2ccccc12 780534341 PZNAQVQXZDLHPA-UHFFFAOYSA-N 294.354 3.784 30 20 CHED CCCCC[C@](C)(CC)C(=O)N[C@@H](C#N)CCC 782547253 VLGCPMKEZCNJIL-HIFRSBDPSA-N 252.402 3.791 30 20 CHED C#CCC1(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)CCCCC1 788222597 GUZOPEQTOHTHEM-IEBWSBKVSA-N 295.426 3.807 30 20 CHED C[C@@H](OC(=O)C(F)=C1CCCC1)c1cccc(C#N)c1 784153246 SWKWOOTXBGIMDQ-LLVKDONJSA-N 273.307 3.960 30 20 CHED N#Cc1ccc(C(=O)OCc2cc(F)ccc2Cl)cc1 782239439 GKLDWQGJTBGMPT-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=C1CCC(C(=O)N(CC)Cc2occc2C)CC1 891610062 JCVNIGGUYWTDOH-UHFFFAOYSA-N 261.365 3.683 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1nccnc1C 783513732 GHUCIIHANZGZBD-UHFFFAOYSA-N 295.173 3.928 30 20 CHED CCc1ccccc1COC(=O)c1ccccc1OCC#N 782261099 GHDRJDDJJGIJEY-UHFFFAOYSA-N 295.338 3.508 30 20 CHED CC(Cc1ccccc1F)=NNc1cc(C)ccn1 780230631 SOIPJXZOIBAFIX-UHFFFAOYSA-N 257.312 3.560 30 20 CHED C#CCOc1ccccc1CNC[C@H](SC)C(C)(C)C 784624619 ALYMHDPCWVESLI-INIZCTEOSA-N 291.460 3.566 30 20 CHED C#Cc1cccc(NC2CCC3(CCOCC3)CC2)c1 784658844 QHBFVXKZDPXQBU-UHFFFAOYSA-N 269.388 3.819 30 20 CHED C=C(C)CCN(C)[C@H]1CCCc2nc(C)sc21 274796253 POBKGIGVUMPYTN-ZDUSSCGKSA-N 250.411 3.727 30 20 CHED C=C(C)CCN1CCC(c2nc3ccccc3[nH]2)CC1 274763468 FJUXUIGZNRPSET-UHFFFAOYSA-N 269.392 3.709 30 20 CHED C=CCC[C@H](C)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C 395724880 MPHWIXUZFQEHIS-UONOGXRCSA-N 284.444 3.576 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1cc(C)c(C)o1 899371853 SGTKPVZVBVQMTP-SREVYHEPSA-N 259.305 3.651 30 20 CHED Cc1nc(C[S@](=O)CCCCC2(C#N)CCC2)cs1 899392857 WVVYOJVQTHSRDU-LJQANCHMSA-N 296.461 3.564 30 20 CHED N#Cc1cc(F)cc(NCc2cccc3c2CCC3)c1 600859497 ARLIEJJSLODLGL-UHFFFAOYSA-N 266.319 3.798 30 20 CHED CC(C)c1c(Cl)ncnc1NN=Cc1cccs1 797403872 BBMMROVHWFPNKM-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C=CCCc1ccccc1N[C@H](C)c1cnccn1 894668925 UZYNVOJVXALQGK-CYBMUJFWSA-N 253.349 3.768 30 20 CHED CCCC[C@@H](CC)C(=O)N(C)c1cccc(C#N)c1 59095727 FLNBCQIPYVJVMJ-CQSZACIVSA-N 258.365 3.737 30 20 CHED N#Cc1ccc(OCc2cnc(Cl)s2)cc1Cl 190254210 SFACOSMFTGNANK-UHFFFAOYSA-N 285.155 3.901 30 20 CHED Fc1ccc(F)c2c1CCC2=NNc1cccc(Cl)n1 793163101 FJYOGUCMMBWRDV-UHFFFAOYSA-N 293.704 3.776 30 20 CHED COCC[C@H]1CCCC1=NNc1cccc2cnccc12 799879263 WGUYIIRWQQXURT-CYBMUJFWSA-N 283.375 3.839 30 20 CHED CC[C@@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1C 194591812 ORVCJJMTWQPBNH-CQSZACIVSA-N 271.364 3.663 30 20 CHED CC(CCc1ccc(F)cc1F)=NNc1ccnc(F)c1 794928261 DMGVSGCQPMMOMY-UHFFFAOYSA-N 293.292 3.920 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1cc(C(=O)O)oc1C 692252038 CTKORHSEEYRHPD-TZMCWYRMSA-N 277.364 3.511 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1cccc(Cl)c1 796986471 UWYWSPOMPVTNKB-WAYWQWQTSA-N 290.702 3.616 30 20 CHED CC1(C#N)CN(C2c3ccccc3-c3ccccc32)C1 573065121 BMOXKMPBQIBRJQ-UHFFFAOYSA-N 260.340 3.602 30 20 CHED Cc1ccc(F)c(NN=C[C@]2(C)CCCS2)c1 793028067 XOANCJJHFHKXKB-ZDUSSCGKSA-N 252.358 3.818 30 20 CHED COCC[C@@H]1CCCC1=NNCc1cnc2ccccc2c1 799883032 NIELTVBBASZRQU-HNNXBMFYSA-N 297.402 3.517 30 20 CHED CC#CCCOC(=O)[C@H](C)Oc1ccc2ccccc2c1 795718293 AOJPHNWXEVYABQ-AWEZNQCLSA-N 282.339 3.564 30 20 CHED CC[C@@H](C)NN=C1CCCCC[C@H]1NC(=O)OC(C)(C)C 790186873 CLEZRCDZWYDTEZ-CHWSQXEVSA-N 297.443 3.588 30 20 CHED Fc1cccc(NN=C2CCCC23CCOCC3)c1 799877196 PYMWZBBNVZXQLY-UHFFFAOYSA-N 262.328 3.574 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(OC)cc2Cl)c1 730963168 HHJKZRCFTCMSLH-UHFFFAOYSA-N 285.730 3.582 30 20 CHED C=CC[C@H](CC)NCc1c(O)ccc(Cl)c1F 798501493 JWMIGZQHCRXQPX-VIFPVBQESA-N 257.736 3.629 30 20 CHED N#Cc1cccc(CNC2(C3CCCCC3)CC2)c1 1656441119 XZGRGWPRNYOCNP-UHFFFAOYSA-N 254.377 3.761 30 20 CHED Cc1nc(N2CC(C)(C)c3ccccc32)ccc1C#N 1643016351 GCZNXFPXBVOAGT-UHFFFAOYSA-N 263.344 3.691 30 20 CHED C=CC(C)(C)CNC(=O)C1CC(c2ccc(F)cc2)C1 1328077766 OMTFIFBLHRSODK-UHFFFAOYSA-N 275.367 3.648 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3C[C@@H]4C=C[C@H]3CC4)o2)cc1 1326986480 AUPKDUFLBWTMTJ-OSAQELSMSA-N 277.327 3.678 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)CC#Cc2ccccc2)C1 1323873649 YYMFRMJZFXQFNP-MSOLQXFVSA-N 283.415 3.759 30 20 CHED C#CCOC(=O)c1sc2cccc(C)c2c1Cl 1248538795 TYMQVODXDJSEHY-UHFFFAOYSA-N 264.733 3.653 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccsc2Cl)nn1 1320695110 BPFBRCARVBDXCF-UHFFFAOYSA-N 294.811 3.935 30 20 CHED N#Cc1cnc(NCc2ccc3occc3c2)c(Cl)c1 1652023681 MOMAPZQARSVAJR-UHFFFAOYSA-N 283.718 3.965 30 20 CHED N#Cc1ccc(NCCC(F)F)c(C(F)(F)F)c1 1336877766 LEBDPLZLPHCQOO-UHFFFAOYSA-N 264.197 3.644 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCSc1ccccn1 1337550620 KQNRVHDBZZBVEG-CQSZACIVSA-N 290.432 3.521 30 20 CHED CC(C)CNN=C[C@H]1CCC[C@H](C(F)(F)F)C1 1330648185 GIYNFPLFYSLMQZ-QWRGUYRKSA-N 250.308 3.587 30 20 CHED N#Cc1cc(C(=O)OCC2(c3ccccc3)CC2)cs1 1344050422 NSPRKDOBEQUSMO-UHFFFAOYSA-N 283.352 3.508 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(C#N)c2C)C1 1347866506 RIJHZZSCGPBFIW-TZMCWYRMSA-N 270.376 3.517 30 20 CHED CC(C)(C)ON=Cc1cc(Br)ccc1F 1341311343 YLBSNCILWOCNFL-UHFFFAOYSA-N 274.133 3.737 30 20 CHED CCC[C@H](C)C(=O)[C@@H](C#N)c1nccn1Cc1ccccc1 1346538212 VNQNPUCIYAZOIP-GOEBONIOSA-N 295.386 3.544 30 20 CHED N#Cc1ccc(CNc2ccc(C(F)(F)F)nc2)cc1 214543426 IKUVYYSWGJQTLV-UHFFFAOYSA-N 277.249 3.584 30 20 CHED N#CC[C@H](OC(=O)C[C@H]1C=CCCC1)c1ccco1 1346706904 OCCBYWLBSYYFDE-JSGCOSHPSA-N 259.305 3.524 30 20 CHED CC1CCC(N(C)Cc2cccc(C#N)c2F)CC1 219509857 OGDJLWGDQOBPJK-UHFFFAOYSA-N 260.356 3.708 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2F)C1 1435089435 UOIVKJJNXDXWDR-ZIAGYGMSSA-N 288.366 3.642 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CC12CC3CC(CC(C3)C1)C2 1289299112 SYAPEKQXVWJWEZ-KUNBBXKYSA-N 288.435 3.744 30 20 CHED Cc1csc(CCCC(=O)Nc2cc(C#N)ccc2C)n1 1445213068 JRYUTFQHLLXFNC-UHFFFAOYSA-N 299.399 3.593 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)c1ccc(C#N)cc1F 1517638307 AJQUMNNFQXDGJM-UHFFFAOYSA-N 290.382 3.842 30 20 CHED COCc1nc(CSc2cccc(F)c2C#N)cs1 1459108355 MOCOGCHNHXUGKO-UHFFFAOYSA-N 294.376 3.593 30 20 CHED CN(c1ncc(C#N)cc1F)[C@@H]1CCC[C@@H]1c1ccccc1 1458428816 VDBMMALDKPMRDQ-NVXWUHKLSA-N 295.361 3.865 30 20 CHED N#Cc1sccc1C(=O)OCc1ccc2occc2c1 1525624277 ZATIYFLJZDEWLG-UHFFFAOYSA-N 283.308 3.723 30 20 CHED C=CC[C@@H](Sc1ccccc1Br)C(=O)O 1602850131 UCZIAVVEXOINBE-SNVBAGLBSA-N 287.178 3.571 30 20 CHED CC[C@H](C#N)N(CC)C(=O)Cc1ccc(C(C)(C)C)cc1 1538757562 QINMTCFQXOBVKT-MRXNPFEDSA-N 286.419 3.677 30 20 CHED C[C@@H](NC(=O)c1csc(C#N)c1)c1ccc(Cl)cc1 1460738322 QLENECNUGWRGJW-SECBINFHSA-N 290.775 3.764 30 20 CHED C[C@@H](CC=NNc1ccc(Cl)c(Cl)c1)C(=O)O 1609738244 XRNWOIHGEVAIBP-ZETCQYMHSA-N 275.135 3.502 30 20 CHED N#C[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC(=O)C1 202794368 NPQMBXIEBWOOSQ-CYBMUJFWSA-N 268.143 3.898 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)CC1 227309068 RSPJSOJSYXFCBX-DOMZBBRYSA-N 260.356 3.756 30 20 CHED C=CCCOC(=O)c1sc(C)cc1Br 838455718 ADVIKMJBXWUONR-UHFFFAOYSA-N 275.167 3.552 30 20 CHED C[C@H]1CCCC[C@]1(C)NCCc1ccc(C#N)cc1 1618388222 YGFZBKQRMAABAW-YOEHRIQHSA-N 256.393 3.659 30 20 CHED COc1ccc(C#N)cc1NCc1cccc2c1CCC2 1474172396 MEABMLCSSMTIQD-UHFFFAOYSA-N 278.355 3.668 30 20 CHED CC(C)N(CCOc1ccccc1C#N)c1ccccc1 1615909866 AMICXAIZLUUSDE-UHFFFAOYSA-N 280.371 3.852 30 20 CHED CCCC[C@H](CC)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1543403670 HHBRTPVAUMJFJJ-LBPRGKRZSA-N 298.390 3.980 30 20 CHED CC(C)CC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 1623604671 LDBBMNRWZYSJNF-UHFFFAOYSA-N 296.374 3.589 30 20 CHED CO[C@H](COc1cc(Cl)ccc1C#N)CC(C)C 1641003338 NHFLTKSZNWVZCE-ZDUSSCGKSA-N 267.756 3.652 30 20 CHED CC[C@H]1CCC[C@H](CNCc2ccc(OC)c(C#N)c2)C1 1657888321 GSRFKHXJXZGJQW-GJZGRUSLSA-N 286.419 3.873 30 20 CHED C[C@H](NC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[C@@H](C)C1 1669386089 VUNOUPSMRYBEAO-KEYYUXOJSA-N 299.418 3.572 30 20 CHED N#Cc1ccsc1NC(=O)NC[C@H]1CCC[C@H]1C1CC1 1671450122 XACYAXUVSAVUIB-OLZOCXBDSA-N 289.404 3.568 30 20 CHED C=C(Cl)C[C@H](NCc1csc2ccccc12)C(=O)O 1776143605 UBBHPLDWNYPHDT-LBPRGKRZSA-N 295.791 3.587 30 20 CHED N#Cc1cccc(COc2cccc(Br)c2)c1 19481586 DMIVDHCIDKMNKP-UHFFFAOYSA-N 288.144 3.900 30 20 CHED C#CCCCN[C@@H](C)c1ccccc1Br 161187518 WDVRSYUERFYHNQ-NSHDSACASA-N 266.182 3.513 30 20 CHED Cc1cccc(NC(=O)[C@@H](C#N)c2nc(C)c(C)s2)c1C 160094202 TYOZLCKVRBFPGC-CYBMUJFWSA-N 299.399 3.623 30 20 CHED C=CCC(CC=C)C(=O)N(c1nc(C)cs1)C1CC1 160746739 KBGWQNLPRIHAAO-UHFFFAOYSA-N 276.405 3.715 30 20 CHED C=CCC(CC=C)C(=O)NCC1(Cc2ccccc2)CC1 151601570 DRKIQWVNZIZLNX-UHFFFAOYSA-N 283.415 3.894 30 20 CHED C#CCCCCNC(=O)Nc1ccc(OC(C)C)cc1F 153010598 PCQWEYUOUBNRMJ-UHFFFAOYSA-N 292.354 3.538 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccccc2C)cc1 157129380 GDNKMHLMQFHEDA-INIZCTEOSA-N 279.383 3.858 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1cccnc1-c1ccccc1 157165480 RXSYAGAKCHHVSX-CYBMUJFWSA-N 294.358 3.514 30 20 CHED C[C@H](c1ccco1)N(C)CC#Cc1cccc(Cl)c1 156397458 WZZLRCSTMYTOGA-CYBMUJFWSA-N 273.763 3.978 30 20 CHED CCCCCCCCC(=O)N[C@@H](CC)c1ncc[nH]1 140676061 URORAEKKTDXVDS-ZDUSSCGKSA-N 265.401 3.728 30 20 CHED Cc1ccc(CNc2cccc(OCC#N)c2)cc1C 37300701 XTOYXDJEQCFRIQ-UHFFFAOYSA-N 266.344 3.818 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc(C)c(C)cc1C 163515981 YGNYHWONNJXEIG-INIZCTEOSA-N 261.409 3.855 30 20 CHED C#CCCCCC(=O)N(CC(=C)C)Cc1ccccc1 279570021 VBBREABEWQVFHA-UHFFFAOYSA-N 269.388 3.785 30 20 CHED N#Cc1cc(Cl)cc(OCc2cnoc2C2CC2)c1 287596839 RUXGXNLKGSHRDV-UHFFFAOYSA-N 274.707 3.656 30 20 CHED C[C@H]1CCN(c2ccc(Cl)cc2C#N)CCS1 302752113 UTHCVMKFSBGVBH-JTQLQIEISA-N 266.797 3.543 30 20 CHED C=C(C)CN(CC)CCSc1ccccc1F 71805262 BNWFGWGDYUHHSI-UHFFFAOYSA-N 253.386 3.816 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C)c(F)c2)c1 308198655 OLERYANUBPKLTH-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC(C)[C@@H]1CCC[C@H]1NCCc1cccc(C#N)c1 467453144 KBLFDBFKYHUQTF-DLBZAZTESA-N 256.393 3.515 30 20 CHED C=C(Br)CNCC1CCC(C(C)C)CC1 308961485 KBXGMEVNGPZMBS-UHFFFAOYSA-N 274.246 3.947 30 20 CHED Cc1ccc(CN(C)Cc2cccc(C#N)c2)s1 77211107 MIFFXGYZBSZVGC-UHFFFAOYSA-N 256.374 3.560 30 20 CHED Cc1nc(NCCc2ccc(F)cc2)c(Cl)cc1C#N 313063463 IXCZBIRDXPCQCB-UHFFFAOYSA-N 289.741 3.709 30 20 CHED C#C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C 702244605 ODJDULVUFAPCKW-LBPRGKRZSA-N 284.186 3.771 30 20 CHED N#Cc1cc(Cl)ccc1NCC1(C(F)F)CC1 359846837 RAAOUEWGKQRUQM-UHFFFAOYSA-N 256.683 3.669 30 20 CHED N#Cc1cc[nH]c(=NC[C@H]2CCCCC(F)(F)C2)c1Cl 488448123 LPKMHHRYPJEYLB-JTQLQIEISA-N 299.752 3.656 30 20 CHED C#C[C@H](NCc1cc(Br)cs1)C(C)(C)C 380152820 YDTMFTFZNOIOPC-NSHDSACASA-N 286.238 3.648 30 20 CHED CC[C@@H](C)[C@@H](CNc1cc(Cl)ccc1C#N)OC 381295742 PGSMFGTYAQAPEI-QMTHXVAHSA-N 266.772 3.685 30 20 CHED C=CCN(Cc1ccc2oc(C(=O)O)cc2c1)C(C)C 383636381 LRLZOKBFKDJCEH-UHFFFAOYSA-N 273.332 3.527 30 20 CHED C=C(Cl)CN[C@@H](COCc1ccccc1)C(C)C 783253237 ZTXSATNJXIBQNM-HNNXBMFYSA-N 267.800 3.570 30 20 CHED CCCCCCCCOCC(=O)Nc1cc(N)ccc1C 59083101 PCWQKZPQBXVQHA-UHFFFAOYSA-N 292.423 3.893 30 20 CHED CCCCCCCC(=O)NCc1cn2cccc(C)c2n1 109881527 JKVLHFCYBJJALE-UHFFFAOYSA-N 287.407 3.619 30 20 CHED C=CC1CCN(C(=O)N[C@@H](CC)c2cccs2)CC1 111835710 KKBMYAAAZXLJML-ZDUSSCGKSA-N 278.421 3.807 30 20 CHED CCOC(=O)[C@@H](CC)S[C@@H](C)c1ccc(C#N)cc1 177370253 WPCTVYNNHBHLCL-SMDDNHRTSA-N 277.389 3.694 30 20 CHED C=CCCOC(=O)c1csc(Cc2ccccc2F)n1 118144163 JEGCGMNHJUZDEX-UHFFFAOYSA-N 291.347 3.606 30 20 CHED C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(CC#N)c1 172395382 AYZJTTRIJVTDSW-QRTARXTBSA-N 282.387 3.546 30 20 CHED N#CCCSc1ccccc1NC(=O)CCC1CC1 115068314 SBSWAADQUIZITK-UHFFFAOYSA-N 274.389 3.821 30 20 CHED Cc1ccc(CNCc2cc(C#N)cs2)c(C)c1 177687027 HCOOFIXWLVBCIT-UHFFFAOYSA-N 256.374 3.526 30 20 CHED N#Cc1ccc(N[C@@H](CN2CCCC2)c2ccccc2)cc1 301092346 NALFQFQMPMNACO-IBGZPJMESA-N 291.398 3.807 30 20 CHED COc1ccccc1CN(c1cccc(F)c1C#N)C1CC1 303586644 NTTRIXXXAODVPW-UHFFFAOYSA-N 296.345 3.875 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccsc1 175325914 WWCJRMCJUKAOTQ-OWOJBTEDSA-N 266.268 3.628 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc(-c2ccco2)s1 179774902 RFHRNXRIHBBXHH-LLVKDONJSA-N 290.388 3.878 30 20 CHED COc1ccccc1[C@@H]1CCCN1CCC(C)(C)C#N 119909219 KNRAEZDWNSQHOJ-HNNXBMFYSA-N 272.392 3.772 30 20 CHED C=C(Cl)CSCc1nc([C@H](C)OCC(C)C)no1 174257636 KGLOPNZXRJNDQW-JTQLQIEISA-N 290.816 3.789 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 69313634 MEMZKJGFDIQMRJ-VIFPVBQESA-N 288.174 3.913 30 20 CHED Cc1cc(CN2CCC(C#N)CC2)cc(C)c1OC(F)F 123692845 MFGOVDMNPRMLDE-UHFFFAOYSA-N 294.345 3.640 30 20 CHED CCCCCOc1ccc(C(=O)NCCCCC#N)cc1 171507284 JSUSPCHLEUPJNB-UHFFFAOYSA-N 288.391 3.679 30 20 CHED CCC[C@@H]1CCCN(c2cc(C(C)=O)ccc2C#N)C1 302084422 DMIHRHPGOVVJNT-CQSZACIVSA-N 270.376 3.777 30 20 CHED CCN(Cc1cccc(F)c1)CC(C)(C)CCC#N 120023617 OIKOKLHCEDDZJC-UHFFFAOYSA-N 262.372 3.978 30 20 CHED C=CCN(CCc1ccccc1)Cc1csc(CC)n1 65959547 UZRFOYGLIODYTD-UHFFFAOYSA-N 286.444 3.936 30 20 CHED Cc1nnc(Sc2ccc(C#N)cn2)n1C1CCCCC1 32907703 DQDOQCLUQCWOTJ-UHFFFAOYSA-N 299.403 3.510 30 20 CHED CC(C)(C)OC(=O)Oc1ccc(C#N)cc1Cl 78574259 VYAZEUHTONEJCL-UHFFFAOYSA-N 253.685 3.526 30 20 CHED N#CCC[C@@H](NCc1cc(F)ccc1O)c1ccccc1 180862614 DQRCZYCRBDUDBJ-MRXNPFEDSA-N 284.334 3.666 30 20 CHED CCCOCc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 185785106 GWDPPMKCGFFQDD-MAUKXSAKSA-N 286.419 3.785 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CCC(C)(C)O1 184653221 TYTVNEPDRHDWGK-KRWDZBQOSA-N 286.419 3.726 30 20 CHED C=C(Cl)CN1C[C@H](c2ccccc2C)OC[C@H]1C 75785776 SZKCLFRKVJXTNN-UKRRQHHQSA-N 265.784 3.509 30 20 CHED CC#CCCCC(=O)NCc1ccc(C(F)(F)F)cc1 184935332 PKRNOPYHLFOGQY-UHFFFAOYSA-N 283.293 3.515 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(F)c(Br)c1 411765193 AIDROCDVKGQVDL-UWVGGRQHSA-N 299.187 3.931 30 20 CHED CCCCc1nc2ccccc2n1C[C@H](C#N)CCC#N 32514449 USSXDKUPISTTCP-AWEZNQCLSA-N 280.375 3.822 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CC[C@H](CO)CC1 132842769 PEPBNMUCGCMXNS-IYBDPMFKSA-N 283.456 3.794 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(C)cc1OC(C)C 120303304 SIQARDXUEXVAKK-CQSZACIVSA-N 290.407 3.546 30 20 CHED C=CCC[C@H](C(=O)Nc1cc(OC)ccn1)c1ccccc1 187380488 HOWOKNDVXPKGAW-INIZCTEOSA-N 296.370 3.779 30 20 CHED C=CCSCCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 508561452 RABSZSNOTSQEAE-RBSFLKMASA-N 281.465 3.628 30 20 CHED C=CCC1(C(=O)Nc2ccc(C#N)c(F)c2)CCCC1 410874469 RZACGLAHMLDGPN-UHFFFAOYSA-N 272.323 3.772 30 20 CHED CCc1ccc([C@@H]2CCN([C@@H](C)CCC#N)C2)cc1 411760908 TUOJGYCPGLLORM-WMLDXEAASA-N 256.393 3.731 30 20 CHED Fc1cccc([C@@H](NCC(F)(F)F)C(F)(F)F)c1F 182599520 QSECIALTNOWSBI-MRVPVSSYSA-N 293.157 3.720 30 20 CHED COCc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1F 181777464 ZKYJMCKXEJFQJL-CYBMUJFWSA-N 298.361 3.695 30 20 CHED CC[C@H](/C(O)=N/c1nc(C(F)(F)F)n[nH]1)c1ccccc1 72673308 JJYRVESFJUBUBF-VIFPVBQESA-N 298.268 3.605 30 20 CHED N#Cc1ccsc1C(=O)N(CC1CCCCC1)C1CC1 128111491 QFVKDUINYIYACM-UHFFFAOYSA-N 288.416 3.805 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2CCCOc3cc(F)ccc32)C1 185879571 UFENXRGTXUQQKT-BJJXKVORSA-N 288.366 3.711 30 20 CHED C[C@@]1(NC(=O)c2ccc(C#N)cc2)CCCc2ccccc21 506125555 DZFVUNHJDQHDBC-LJQANCHMSA-N 290.366 3.540 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(SC2CC2)cc1 410839354 ZJELZUPTPBFENQ-CYBMUJFWSA-N 288.416 3.705 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C#N)C1CC1 183363666 BYCQMMAUBIAJOU-KRWDZBQOSA-N 292.338 3.516 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1COc1ccccc1 180439274 RBHPQAQFLDIZHY-UHFFFAOYSA-N 295.382 3.914 30 20 CHED N#Cc1ccc(C2=CCN([C@H]3C=CCCC3)CC2)cc1 502499408 DSUNINCNTBHVCC-SFHVURJKSA-N 264.372 3.756 30 20 CHED C[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H](C)S1 70387376 YHQWAELBWMSFAM-AOOOYVTPSA-N 266.797 3.542 30 20 CHED C=CCN(C(=O)Nc1c(OC)cccc1SC)C1CC1 417691922 NQMZSTCINYMGSM-UHFFFAOYSA-N 292.404 3.599 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCCc2ccc(C)cc21 185966963 ODZPGHHOCFQUIB-QGZVFWFLSA-N 269.388 3.682 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](CCC=C)c1ccccc1 133917586 OUTNLGLSZKKESP-WBVHZDCISA-N 287.403 3.791 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CSc1cc(C)ccc1C 410825876 GYCPHNMMXTZEAS-CQSZACIVSA-N 290.432 3.546 30 20 CHED C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)[C@@H]1C 228185103 KYXMYDKVBVYASA-GHMZBOCLSA-N 293.208 3.946 30 20 CHED CC(C)(C#N)CNC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 502662762 AQTYWDSHNGKUCA-ZIAGYGMSSA-N 293.455 3.830 30 20 CHED C=CCOCCSCc1cc(-c2ccc(F)cc2)no1 419393442 UMRRCAHUYWPVCV-UHFFFAOYSA-N 293.363 3.917 30 20 CHED CC(C)(C)c1csc(CN[C@H]2CCC[C@H](C#N)C2)n1 192835303 WGPWRHVRJMDBKE-RYUDHWBXSA-N 277.437 3.613 30 20 CHED C=CCCN(C)CCCc1cc(-c2ccccc2)n[nH]1 132714762 CGJMQUCBXQNUEL-UHFFFAOYSA-N 269.392 3.517 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@H]2c2cccs2)n1 160329127 YAZCCQKYDJGJHQ-ZDUSSCGKSA-N 269.373 3.665 30 20 CHED Cc1cc(NC2CCC2)n2c(nc3ccccc32)c1C#N 501287455 YEJCWRHWINKOIM-UHFFFAOYSA-N 276.343 3.632 30 20 CHED Cc1ccc(C[C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)s1 192882475 BMKVZTFYPTUWHB-KWCYVHTRSA-N 262.422 3.660 30 20 CHED CC[C@@H](OC1CCCC1)C(O)=Nc1ccc2nc[nH]c2c1 329038267 CUPWHJBHIZNKSK-OAHLLOKOSA-N 287.363 3.889 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 425607995 HYLXZDJAMMXYTO-OWCLPIDISA-N 299.418 3.698 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Oc2ccccn2)cc1 429430668 BBUZEYWIUVHHGO-UHFFFAOYSA-N 283.331 3.572 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C#N)c(Cl)c1 425405721 YRHQKHPUAHQMCB-UHFFFAOYSA-N 262.740 3.752 30 20 CHED OC1=NC[C@H](/C(O)=N/CCC2=CCCCCC2)CC1 329770244 IOYBAQMVPXRDPY-CYBMUJFWSA-N 264.369 3.590 30 20 CHED CN(C)c1cc(C#N)cc(/C(O)=N/[C@@H]2CC23CCCCC3)c1 328994706 FCBGCGRHDWUFMQ-MRXNPFEDSA-N 297.402 3.652 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(C)cc(F)c1 80062145 RWLQMDLYRPNIFP-UHFFFAOYSA-N 290.382 3.926 30 20 CHED CCc1ccc(NC=C2C(=O)CC(CC)CC2=O)cc1 194957722 RSCXNHJCDGWFSZ-UHFFFAOYSA-N 271.360 3.503 30 20 CHED N#Cc1ccc(F)c(CN2CCC[C@@H]2c2ccc(O)cc2)c1 138909729 LWVNBAOGRNVGKZ-GOSISDBHSA-N 296.345 3.740 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@@H](C)CC 421596181 OYNKQUROSBQBLZ-LBPRGKRZSA-N 263.406 3.741 30 20 CHED Cn1ncc2c1CC/C(=C/c1ccc3ccccc3c1)C2=O 40116049 UYPRVTKTMMFBAW-WJDWOHSUSA-N 288.350 3.786 30 20 CHED N#Cc1ccc(NCc2sccc2Br)cc1 49861935 YFVGFXPCMBDHRJ-UHFFFAOYSA-N 293.189 3.994 30 20 CHED N#CCCC1CCN(c2ncccc2C(F)(F)F)CC1 518524685 JUGMCQCBROMKEY-UHFFFAOYSA-N 283.297 3.621 30 20 CHED C[C@H]1CC[C@@H](N(C)CC#Cc2ccccc2Cl)C1 429566786 LQCATHYOCWJSRW-DZGCQCFKSA-N 261.796 3.812 30 20 CHED CC1(C#N)CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 335972421 RQMVILAFOSIHQI-CQSZACIVSA-N 276.424 3.745 30 20 CHED C[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 335888364 KHZARPOUWHRLSG-QWHCGFSZSA-N 285.391 3.750 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cccc(SC)n2)no1 420526138 YTYDMPYPSLYRKD-SNVBAGLBSA-N 291.376 3.507 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F 49120022 RCYWHJBPBDICOB-XJKSGUPXSA-N 260.356 3.756 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2cc(C#N)cs2)C1 93868981 FZJLELLDMJCZJK-QWHCGFSZSA-N 280.462 3.726 30 20 CHED C#CCCCCN[C@@H](C)[C@H](C)c1ccc(OC)cc1 90397969 MNEQLQNOGDNWMF-GJZGRUSLSA-N 259.393 3.580 30 20 CHED Cc1c(C(=O)N[C@H]2CCC[C@@H]2C)sc2ccc(C#N)cc12 514876053 DSQDZNMTXXLMBW-HZMBPMFUSA-N 298.411 4.000 30 20 CHED CC(C)(C#N)CCCCNC(C)(C)c1nccs1 232532373 SBZLTUOMGZXHRP-UHFFFAOYSA-N 265.426 3.688 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC=C(C(C)(C)C)CC1 338125288 DUPBPRVORPIGJT-UHFFFAOYSA-N 282.387 3.685 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2C)c(F)c1 334710007 BOCHYYWAZSRVAF-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1cc([C@H](C#N)C(=O)c2cc(Cl)ccc2C)nc(C)n1 338070633 PDBKQMUZLXTZSR-AWEZNQCLSA-N 299.761 3.545 30 20 CHED C#CCOc1ccc(CNC[C@H]2C[C@@H]2c2ccccc2)cc1 236693303 CMPQMVPPYPPPEF-UYAOXDASSA-N 291.394 3.592 30 20 CHED C[C@@H]1[C@@H](/N=C(/O)CS[C@@H]2CCCN=C2O)CCC[C@H]1C 330168811 BCAMNCNLGBIAEA-MROQNXINSA-N 298.452 3.620 30 20 CHED Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1F 435040733 GKFAQBMXHKOOOV-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C(C)(C)C)C(F)(F)F 515738096 OONCIVGWGDBNNG-GHMZBOCLSA-N 292.345 3.714 30 20 CHED Cc1ccc(OC2CCN(c3ccc(C#N)cc3)CC2)cc1 522648651 YBXPLKIRSXEHAO-UHFFFAOYSA-N 292.382 3.915 30 20 CHED C=C[C@@H]1CCCCN1c1nccc(Oc2ccccc2)n1 432828755 MKFBGQJFKXDXKB-CQSZACIVSA-N 281.359 3.814 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CCC[C@H]1CCC(C)C 435692063 NMKTYSSJYLDOGZ-BBRMVZONSA-N 288.391 3.794 30 20 CHED CCC(C#N)(CC)C(=O)N(Cc1ccc(Cl)cc1)OC 529414222 UROFKWBCWIQAEL-UHFFFAOYSA-N 294.782 3.560 30 20 CHED C[C@@H](CCC#N)CNC1(Cc2cccc(F)c2)CCC1 602623733 ZODMTJGQHRFOCW-AWEZNQCLSA-N 274.383 3.820 30 20 CHED Cc1cc(C)c2c(c1)CN(C[C@H](C)CCC#N)CC2 602624707 QEJSILWLQHEFOI-CYBMUJFWSA-N 256.393 3.601 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 604881155 BXJLLPPOIBCGRG-LBPRGKRZSA-N 282.387 3.741 30 20 CHED Cc1nsc(NCc2c(F)cccc2Cl)c1C#N 341929225 MZOKCXHVTFXROG-UHFFFAOYSA-N 281.743 3.728 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(c2ccc(C#N)cn2)C1 433655914 ZKKOCAKNBREDAM-LJQANCHMSA-N 291.398 3.802 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCc2cc(F)c(Cl)cc21 527912552 IQXMWKOSEWFSMG-CQSZACIVSA-N 280.774 3.996 30 20 CHED C=CCN[C@@H](CCOC)c1ccc(Cl)c(Cl)c1 342016782 JYTMXLQOEXRSSB-ZDUSSCGKSA-N 274.191 3.847 30 20 CHED C=CC[C@H](CC)NC(=O)c1oc2ccc(OC)cc2c1C 520447092 GEGIRARMJIZNCI-LBPRGKRZSA-N 287.359 3.834 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H](CC(F)(F)F)C1 602697715 LIVBTHALZGCZCU-VXGBXAGGSA-N 262.319 3.591 30 20 CHED CC(C)Oc1cc(CN(CC2(CC#N)CC2)C2CC2)ccn1 602799555 IPGVGWKGIIBPDE-UHFFFAOYSA-N 299.418 3.527 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 604913190 URYPYCUKGZJEGT-GBJTYRQASA-N 264.413 3.609 30 20 CHED Cc1cc(C)cc(C[C@H](C)NC[C@H](C)CCC#N)c1 602558329 OTMMHWCKYYAGMT-CJNGLKHVSA-N 258.409 3.764 30 20 CHED C=CC[C@H](C)NC(=O)C1(Cc2cccc(Cl)c2)CC1 449928839 ZDKMCYCVYFTGPQ-LBPRGKRZSA-N 277.795 3.744 30 20 CHED COc1cccc([C@H]2C[C@H](N(C)CC3(CC#N)CC3)C2)c1 602837322 MNSOOIZXXQOYAB-WKILWMFISA-N 284.403 3.567 30 20 CHED COc1cc(Br)cc(NC[C@H](C)CCC#N)c1 602497051 RONIHMIIFJQMAS-SNVBAGLBSA-N 297.196 3.809 30 20 CHED C=C[C@H](C)Nc1ncnc2sc3ccccc3c12 440656010 BHEQJWCVOZZZGC-VIFPVBQESA-N 255.346 3.831 30 20 CHED CC[C@@H](NC[C@H](C)CCC#N)c1ccc(OC)c(OC)c1 602661783 LRWWNVVSMOWJRV-UKRRQHHQSA-N 290.407 3.684 30 20 CHED CSCc1cccc(NC(=O)c2ccc(CC#N)cc2)c1 535392666 SEOYLMKZMOATRJ-UHFFFAOYSA-N 296.395 3.868 30 20 CHED CC(C)N(CCC#N)C(=O)CC(C)(C)c1ccccc1 608814497 DWJAERVHIZWTSC-UHFFFAOYSA-N 272.392 3.505 30 20 CHED COCC1(CSc2ccc(C#N)cc2F)CCC1 359162053 MVTKWXXFHOVEIN-UHFFFAOYSA-N 265.353 3.606 30 20 CHED CCCCO[C@@H]1C[C@H](N[C@H]2CCC[C@H](C#N)C2)C1(C)C 447587547 QMDWDLMLHLNZBC-YHUYYLMFSA-N 278.440 3.642 30 20 CHED C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(CC(C)(C)CCC#N)C1 352296499 FEQIWWMSYRVKFV-BBWFWOEESA-N 291.483 3.654 30 20 CHED CC(C)CC1(CNC(=O)NCc2cccc(C#N)c2)CCC1 353461225 UVKGMCOYLSUEAP-UHFFFAOYSA-N 299.418 3.574 30 20 CHED Cc1ccc(SCc2ccc(C#N)c(C)c2)nc1 447296497 VGSGLZMAURDFOS-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc(C(=O)N(C)C)c1 449045110 DYPSIEISUWDFNA-CQSZACIVSA-N 274.408 3.935 30 20 CHED Cc1nc(CSc2ccc(C#N)cc2)c(C)s1 443526017 BGDHWMSTRSEPGP-UHFFFAOYSA-N 260.387 3.924 30 20 CHED CC(C)[C@H](C#N)NC(=O)CCCCCc1cccs1 264715851 FWAGKPRUPNTRAC-AWEZNQCLSA-N 278.421 3.515 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)c1ccccc1C#N 269822514 JKZSUPGODDGOHG-DLBZAZTESA-N 290.366 3.633 30 20 CHED C[C@@H](CC#N)N(C)C(=O)[C@H](C)c1ccccc1C(F)(F)F 610239756 RLWZZFCMMOWMAX-WDEREUQCSA-N 298.308 3.569 30 20 CHED N#Cc1cc(NC(=O)c2cc3cccc(F)c3o2)ccc1F 610227271 XCJSNXXKTOXCDJ-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cccc(OCC#N)c1 266351421 HLABHCBGIBXGGY-STQMWFEESA-N 289.379 3.535 30 20 CHED C=CC1CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 353584086 DSPWLIAWJDPTBO-UHFFFAOYSA-N 275.440 3.653 30 20 CHED C=CCCCC(=O)N1C[C@H](C)Oc2c(Cl)cccc21 356209893 FYHLIJXLEMIVFQ-NSHDSACASA-N 279.767 3.810 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 619161049 GXZAWTJMKJBPDG-BJJXKVORSA-N 277.795 3.914 30 20 CHED CC/C(=C\C(=O)N(C)[C@H](C)CC#N)c1ccc(C)cc1 265932748 GMGRMZGEXRGGCM-FQZGENGWSA-N 270.376 3.549 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1CCCCC#N 610788104 UVQJONYVAALBIH-KRWDZBQOSA-N 256.393 3.936 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CC[C@@H](C)c2ccccc21 453350133 IWLDXDRWRKYUCM-ZFVVBOAOSA-N 257.377 3.558 30 20 CHED C=CCC[C@@H](Nc1ccc(C(C)(C)C(N)=O)cc1)C1CC1 539738569 ZHYUPUFEEYKSGR-MRXNPFEDSA-N 286.419 3.606 30 20 CHED CC#CCN(C)C(=O)N[C@@H](C)c1cc2ccccc2s1 458359441 JVXWKSIYEAQNAZ-LBPRGKRZSA-N 286.400 3.627 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H](C)C2CCC2)cc1C#N 457674063 MJEAFSLGQHEPFF-GFCCVEGCSA-N 286.375 3.720 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCCC1(F)F 454809784 MTVXYGPUXPZUQQ-STQMWFEESA-N 288.382 3.856 30 20 CHED C=CCCCCCN(C)Cc1c(C)nc2ccccn12 538727345 JWAOQMNNTQEREP-UHFFFAOYSA-N 271.408 3.821 30 20 CHED COCCN(Cc1ccc(C#N)cc1C)[C@@H]1CC[C@H](C)C1 616873173 XPKJLPBZAQPGEC-KBXCAEBGSA-N 286.419 3.504 30 20 CHED COc1cc(N[C@@H]2CCC[C@H](C#N)C2)cc(OC)c1Cl 459760064 QAEFJCZKIDXCIQ-WDEREUQCSA-N 294.782 3.851 30 20 CHED C=C[C@H](C)NC(=O)c1sc2ccc(F)cc2c1C 362592660 OZGBUOUMGINXKR-QMMMGPOBSA-N 263.337 3.653 30 20 CHED C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccon1 360884135 NPJFQLDKRAQJKJ-SJKOYZFVSA-N 281.359 3.665 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccco1 610896692 PUKVPINRFGKNLA-SECBINFHSA-N 274.707 3.547 30 20 CHED CC[C@H](NC[C@H](C)c1nccs1)c1ccc(C#N)cc1 278890197 YOHHQXYPLNLEDW-WFASDCNBSA-N 285.416 3.859 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C(=O)CC)cc2)C1 617783423 ZVZZYQYRPGUSOG-AWEZNQCLSA-N 285.387 3.708 30 20 CHED CC(C)(C#N)CC(=O)NC(C)(C)c1cccc(Cl)c1F 278806564 OCAIAHLVONLTEF-UHFFFAOYSA-N 296.773 3.770 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 546588558 GJXXADOGSHXHBK-AWEZNQCLSA-N 297.402 3.887 30 20 CHED C=CCN(C(=O)Nc1ccsc1Cl)C1CC1 275734151 XQFQVOCNNLROMS-UHFFFAOYSA-N 256.758 3.584 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](CC(C)(C)C)C1 457093169 URIDRKAYIPHQLT-AWEZNQCLSA-N 274.408 3.572 30 20 CHED Cc1sc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c(C#N)c1C 361819449 NVHCQGQZDRKPTG-IUODEOHRSA-N 276.405 3.857 30 20 CHED C=CC(C)(C)CNC(=O)c1oc2ccccc2c1COC 452773454 BJNHOLPTSMFNAE-UHFFFAOYSA-N 287.359 3.521 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1nc2ccccc2n1C(C)C 276949723 QKKFHHKCQRJDOA-SFHVURJKSA-N 299.418 3.836 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452677494 IICSJPVHYVIEHE-RYUDHWBXSA-N 286.375 3.720 30 20 CHED C=CCC1(NC(=O)c2[nH]c(C)cc2C)CCCCC1 456363097 IJMIPLAVCKBWSZ-UHFFFAOYSA-N 260.381 3.640 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@H]2CCCC[C@@H]12 541107057 LMRMPFAYMTZYLW-PVUWLOKVSA-N 272.367 3.708 30 20 CHED N#Cc1c(Cl)cccc1N1CCC[C@H](OCC2CC2)C1 450457535 RWZUISSGBGMDHE-ZDUSSCGKSA-N 290.794 3.607 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C)n(C3CC3)c2C)c1 456933226 BEVCLEFLVAJYKF-UHFFFAOYSA-N 293.370 3.872 30 20 CHED C=C(CC)CN1CCC2(CC1)OCCc1ccccc12 459512500 FAVVNVVTXHZABW-UHFFFAOYSA-N 271.404 3.517 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCc2ccc(C#N)cc21 450260061 ZLPQBNDEEDRJEM-ZBFHGGJFSA-N 282.387 3.664 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@]2(CCSC2)C1 451962041 FHMGGRGEUYVRPK-YOEHRIQHSA-N 286.444 3.838 30 20 CHED C=CCCCCNC(=O)[C@H](C)CC(=O)c1ccccc1F 274674224 RVRVBFLDKIKLCF-CYBMUJFWSA-N 291.366 3.507 30 20 CHED CC[C@H](N[C@H](CC)CSC)c1ccc(C#N)cc1 278699110 KWQMZVFQSGWFRN-CABCVRRESA-N 262.422 3.741 30 20 CHED CCS[C@H](C)c1noc(/C=C/c2ccc(C#N)cc2)n1 274021800 SWYAZTVTGCSVIC-ANYFNZRUSA-N 285.372 3.926 30 20 CHED Cc1ccc(C(=O)N(CC#N)C2CCCC2)c(Cl)c1C 543066371 HYYUYYDOTOSYIO-UHFFFAOYSA-N 290.794 3.865 30 20 CHED C=CCC[C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1 276987007 HZMLGBXPPQXPGR-CQSZACIVSA-N 279.330 3.650 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H]3CF)c2c1 549254057 OHDPWLCIHWLNIM-CQSZACIVSA-N 283.350 3.662 30 20 CHED CCC#C[C@@H](C)N1CCC(OCc2ccc(F)cc2)CC1 625654955 JKMXJUIKSIDDND-OAHLLOKOSA-N 289.394 3.609 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCC2(CCCCC2)O1 545256863 BDXDSCHCPAHWOO-CABCVRRESA-N 294.439 3.522 30 20 CHED C=CCCN(C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 276506899 WXHVWWJKZZDSBO-LBPRGKRZSA-N 289.354 3.753 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC(C)(C)C[C@@H]2C)CC1 542700335 RUKZTHZWXMDGAX-DOTOQJQBSA-N 278.484 3.831 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 468015418 DRTPMJOLKATILH-YJBOKZPZSA-N 273.420 3.953 30 20 CHED Cc1cccc(Cc2noc(-c3cc(C#N)cs3)n2)c1 545598343 BMSVPNHIYAVWIN-UHFFFAOYSA-N 281.340 3.569 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H]1CCC[C@@H]1C 469815773 JCBZBWGTJGEQJV-GJZGRUSLSA-N 275.392 3.663 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1CCC 461928293 ZOEAJIWFJVAUBX-UKRRQHHQSA-N 275.367 3.777 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 281400881 PQGPEDMJIUQQHK-DOMZBBRYSA-N 278.371 3.883 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H]1C1CCC1 460372542 FLBMWEIPPFSLTP-HNNXBMFYSA-N 288.439 3.747 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1 559002863 QETATMZPNRJAKD-UHFFFAOYSA-N 284.407 3.614 30 20 CHED CC#CCCCC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 466423022 POMGNOINQJEOGT-FZMZJTMJSA-N 293.769 3.645 30 20 CHED Cc1ccc(NC[C@@H](C#N)CCC#N)cc1Br 554552119 BDNAGXIJBCXIKS-LLVKDONJSA-N 292.180 3.613 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CC)Cc1ccc(Cl)cc1 464753173 HGQAFEBKYQQQSG-SMDDNHRTSA-N 280.799 3.535 30 20 CHED N#Cc1cc(N[C@H](CO)C2CCCC2)ccc1C(F)(F)F 386176025 ZWYTURGPUGFEBD-CQSZACIVSA-N 298.308 3.540 30 20 CHED N#CCOc1ccc(CN(CC2CCC2)CC2CC2)cc1 280827833 VRKREYOOZSKCAY-UHFFFAOYSA-N 284.403 3.601 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)C/C(C)=C\c1ccccc1 555271610 CDQJGSUZNWANFJ-PTNGSMBKSA-N 296.418 3.702 30 20 CHED C=CC[C@@H](C)N[C@H]1CC(C)(C)c2cc(OC)ccc21 474070262 ZDHREFYKVAPHRN-WBMJQRKESA-N 259.393 3.972 30 20 CHED C=CC1CCN([C@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 554074851 IPFPRYZUSOQJPD-OAHLLOKOSA-N 286.419 3.528 30 20 CHED C=CCCCCNC(=O)N(C)[C@H](C)CCSCC 474091749 XZKHGPRRPVSJSQ-CYBMUJFWSA-N 272.458 3.516 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1cnc(C)s1 806003718 VTHNUOQNDSGRMH-UHFFFAOYSA-N 295.452 3.729 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(Cl)cc1Cl 636572873 CBGWZDFQEMKXSM-LBPRGKRZSA-N 273.163 3.929 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](CCC)CC1CCCC1 557384586 YSQUIORXNNSLQO-INIZCTEOSA-N 276.424 3.911 30 20 CHED C=CCCCCNC(=O)C[C@H](C)c1ccc(OC)cc1 471709080 KVUXKDWTAVQVTA-AWEZNQCLSA-N 275.392 3.661 30 20 CHED C=C(C)CCOC(=O)c1c(C)nc(C(C)C)nc1SC 803209891 HRQYDCLGXSFKAA-UHFFFAOYSA-N 294.420 3.753 30 20 CHED Cc1nsc(N2CC[C@H](c3ccccc3)[C@@H]2C)c1C#N 565379919 RDJPCVDYZHOABU-JSGCOSHPSA-N 283.400 3.706 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1F)C(C)(C)C 808315907 NSSRGNCCBFUUKD-IUODEOHRSA-N 290.382 3.576 30 20 CHED COc1cc(C=NOCC=C(C)C)cc(Cl)c1OC 808245306 KOBWDMSRNFIPJV-UHFFFAOYSA-N 283.755 3.674 30 20 CHED CC(C)[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1 474936557 WWLNCKSHVCNKGG-PVAVHDDUSA-N 256.393 3.708 30 20 CHED C=CCC[C@H](CC)NCc1noc(-c2cccs2)n1 295085770 SORQCQLLXYGKBE-NSHDSACASA-N 277.393 3.633 30 20 CHED CS[C@@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297878720 UWQDBNSACYYVFF-QMMMGPOBSA-N 282.434 3.607 30 20 CHED C=C(Cl)COC(=O)c1cn(CC)c2ccccc12 805571625 FBEMCYPXXQXEJB-UHFFFAOYSA-N 263.724 3.571 30 20 CHED Cc1cccc([C@@H]2CCCCN2CCO[C@H](C)C#N)c1C 801925155 GAQWJPQIPISLFF-QAPCUYQASA-N 286.419 3.759 30 20 CHED CC(C)CC1(C)CCN(C(=O)c2ccc(C#N)s2)CC1 565127164 DZILQGZDXWUCPO-UHFFFAOYSA-N 290.432 3.908 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)c1ccc(F)c(F)c1 802750050 VNRVKCPJAPZNPS-VHSXEESVSA-N 271.332 3.688 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 648541621 VOKRYTFSZTWWIH-UHFFFAOYSA-N 298.264 3.997 30 20 CHED C=CCCCCCCNC(=O)C[C@@H]1CCO[C@H](CC)C1 805218074 RAAWSJDGMLPKFP-HZPDHXFCSA-N 281.440 3.834 30 20 CHED C=CCCCCN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 565462224 AQKZGMDGSMWEAJ-HNNXBMFYSA-N 284.407 3.616 30 20 CHED Cc1cc(C)nc(NN=C2CC[C@@H](c3ccccc3)C2)n1 814681546 QTNQBBIBEFJZSS-OAHLLOKOSA-N 280.375 3.829 30 20 CHED CS[C@H]1CC[C@@H](N=c2c(C#N)c[nH]c3ccc(C)cc23)C1 813595611 ZMDZLRNYPWMHBO-KGLIPLIRSA-N 297.427 3.533 30 20 CHED C#Cc1cccc(NCc2conc2Cc2ccccc2)c1 815135845 UURRRCLQQHJVBB-UHFFFAOYSA-N 288.350 3.859 30 20 CHED CC(=NOCC1CC1)c1ccc(Cl)c(Cl)c1O 814241610 LXFZKVXHEQESQV-UHFFFAOYSA-N 274.147 3.850 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(C)cc2)n1 560021464 AZFNRBNWLUYITA-UHFFFAOYSA-N 256.349 3.823 30 20 CHED Cc1cc(C)c2c(c1)C(=NN[C@@H](C)c1ccncc1)CCO2 819815079 LOWQBWJUUDESOX-AWEZNQCLSA-N 295.386 3.536 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](CC)CCCCC 814134582 LTWRBNRSKLISSE-CQSZACIVSA-N 250.386 3.521 30 20 CHED CC#CCCCc1nc(-c2ccc(OC(F)F)cc2)no1 565682824 RCARXTIUOQOYRN-UHFFFAOYSA-N 292.285 3.684 30 20 CHED CCCCc1ccc(OC(=O)c2ncc(C#N)cc2C)cc1 815995205 ACJQSMGIOLZTNK-UHFFFAOYSA-N 294.354 3.824 30 20 CHED C[C@H]1SCCC1=NNc1c(F)cccc1Cl 814904854 BOMMSFUEPHLXOG-SSDOTTSWSA-N 258.749 3.772 30 20 CHED CON=C(C)c1sc(-c2ccc(F)cc2)nc1C 814795380 CRZCAEHZJNHTPS-UHFFFAOYSA-N 264.325 3.628 30 20 CHED C#CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 810228920 OACIQHHEKIHLRY-PMACEKPBSA-N 286.378 3.900 30 20 CHED C#CCON=C(CC)c1ccc(Cl)cc1Cl 812233214 PFKAJYOXNGFXDV-UHFFFAOYSA-N 256.132 3.757 30 20 CHED C#CCOc1ccc([C@@H](C)NC2(C(C)C)CC2)cc1 815647377 IOACKGUSYLYPGX-CQSZACIVSA-N 257.377 3.538 30 20 CHED C=CC[C@H](Cc1ccccc1)n1cc(C(C)(C)OC)nn1 656457301 KTDCYCHHLDVQQK-OAHLLOKOSA-N 285.391 3.520 30 20 CHED C=CCn1c(C(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 574745447 FHWFEYJETHZIQV-RRFJBIMHSA-N 288.439 3.602 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1(F)CCCCC1 819737412 XOJDIHWNHVMLSH-CYBMUJFWSA-N 288.366 3.750 30 20 CHED COc1cccc(O)c1/C=N\Cc1cccc(Cl)c1 812390515 YNSVKTRIBLMODC-YVLHZVERSA-N 275.735 3.673 30 20 CHED CCC(=NNC[C@@H]1CCSC1)c1cccc(Cl)c1 811662833 VARLGRYFAVUCHH-NSHDSACASA-N 282.840 3.797 30 20 CHED C=CCC(F)(F)C(=O)OCc1c(CC)cccc1OC 816043228 LVQQLKFVKNRUJJ-UHFFFAOYSA-N 284.302 3.512 30 20 CHED C[C@@H]1CC(=NOC/C=C\Cl)CCN1Cc1ccccc1 811671132 AIJBSZGNXOEFOD-DAZGDNQKSA-N 292.810 3.796 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC1(CCO)CCCC1 657894603 AIEIUZKCPGZTRC-JKSUJKDBSA-N 265.441 3.654 30 20 CHED C=CCn1c(N(CC)C2CCCC2)nnc1C(C)(C)C 571927580 GBTLSGQQDVCJCX-UHFFFAOYSA-N 276.428 3.531 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc3c(c2)CCC3)no1)OCC 577029435 QWVSLZOCHXNBHU-INIZCTEOSA-N 298.386 3.749 30 20 CHED CCOc1cc(N=Cc2cccc(O)c2O)ccc1C 727265171 KITCWIRYPAWKJR-UHFFFAOYSA-N 271.316 3.556 30 20 CHED CCCCCCCNC(=O)[C@H]1CCO[C@@H](C(C)C)C1 826982491 XTXWNBSVOOGKTJ-LSDHHAIUSA-N 269.429 3.524 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@H](C(C)C)C1)C(C)C 729057130 QZSCJLJRYUGTDR-GJZGRUSLSA-N 266.429 3.807 30 20 CHED COc1cc(C)ccc1CNc1ccccc1O[C@H](C)C#N 824134667 KAPVUAOSAISYAM-CQSZACIVSA-N 296.370 3.907 30 20 CHED CCOc1ccc(NC(=S)NN=C2CCC[C@@H]2C)cc1 729140231 BSRLFRRAIHIBQR-NSHDSACASA-N 291.420 3.548 30 20 CHED CC(C(=O)N[C@@H](CCC#N)c1ccccc1)=C1CCC1 827537116 AZXBYEIXDHNVME-INIZCTEOSA-N 268.360 3.648 30 20 CHED C=CCCCCCN(C)Cc1csc(Cl)n1 827877750 JEIMGRKJWLEOSH-UHFFFAOYSA-N 258.818 3.975 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CC2CCCCC2)cc1 582352703 UKRSDHKLYWDCMZ-KRWDZBQOSA-N 284.403 3.900 30 20 CHED Cc1cc(C(=O)/C=C\c2cccnc2Cl)ccc1O 728697782 JHTNADXZEBEDKT-DAXSKMNVSA-N 273.719 3.645 30 20 CHED Cc1ccc(N(C)Cc2cn3ccccc3c2C#N)cc1 725807172 ZPOMKIDDXVYMRI-UHFFFAOYSA-N 275.355 3.756 30 20 CHED CCCCCCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 822587567 DQFPTSYIYQOTIH-CQSZACIVSA-N 287.407 3.841 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccccc2C#N)cc1 588618093 FESMXJNJUBRKRR-KHPPLWFESA-N 277.323 3.601 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)CC1 735310728 CVVSCUWSBHJOFF-OAHLLOKOSA-N 272.392 3.601 30 20 CHED COc1ccc(CCNN=C/C(C)=C\c2ccccc2)cc1 737440818 QXCQVXZFSKJUTF-WNHLMRBKSA-N 294.398 3.917 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(CC(C)C)cc2)cn1 732529091 OOEBNPHQJPYCTA-JXMROGBWSA-N 282.387 3.998 30 20 CHED C=CCC1(NC(=O)Nc2c(C)cccc2C)CCOCC1 665180104 DADYKZYMFZLDFU-UHFFFAOYSA-N 288.391 3.550 30 20 CHED CCc1nocc1/C=C/C(=O)c1ccc(C)cc1C 834408380 JOBKNJIZFLUGCM-SOFGYWHQSA-N 255.317 3.750 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(CC)s1 731217243 CIGYWJNFJHSOFL-MRXNPFEDSA-N 296.395 3.510 30 20 CHED CC(=NNc1ccc(F)c(F)c1)c1cnn(C(C)C)c1C 901317573 JOWIEBLOKGPUAD-UHFFFAOYSA-N 292.333 3.887 30 20 CHED CCc1nc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)o1 589949136 FSQUKJSKFSLTFC-INIZCTEOSA-N 295.386 3.584 30 20 CHED CCc1ccc(CON=Cc2cccc(F)c2)cc1 735302744 DQSLLGXBIPPZRF-UHFFFAOYSA-N 257.308 3.939 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)CCCCCC#N 588278857 DKFYQKMMGYBFDN-UHFFFAOYSA-N 272.392 3.818 30 20 CHED Cc1ccccc1C(=NNc1ccc(C(=O)O)cc1)C1CC1 731922250 ANYRJULWFJJFMI-UHFFFAOYSA-N 294.354 3.919 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc(CC(C)C)no1 904414857 WVHGZVAQGDZMCV-AWEZNQCLSA-N 256.349 3.976 30 20 CHED CC[C@@H](N[C@@H](C)Cc1ccccn1)c1cccc(C#N)c1 903044995 PBUCAJVLEQEDRJ-KBXCAEBGSA-N 279.387 3.625 30 20 CHED O=C(/C=C\c1cccc(C2CC2)c1)c1cc2n(n1)CCC2 901561164 QQEMEQUGBZELNJ-TWGQIWQCSA-N 278.355 3.603 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnc(Cl)cc1Cl 905689153 LKUCWNJIXXDLKD-MRVPVSSYSA-N 273.163 3.929 30 20 CHED N#CC1(CCCCSC[C@@H]2CCCO2)CCC1 901536189 KPOKKMUBWVGVDV-ZDUSSCGKSA-N 253.411 3.763 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccc(F)cc1Cl 731321622 MGBAOUGYPJDFOV-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C#CCN(C(=O)C[C@H]1CCC[C@@H](C)C1)C1CCCCC1 749797267 UNCAKJWBHZGTBV-CVEARBPZSA-N 275.436 3.997 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](NCCc2ccc(C#N)cc2)CS1 597179919 XUGYEMSFEPBEBK-CVEARBPZSA-N 288.460 3.611 30 20 CHED C#CCC[C@H](C)OC(=O)Cc1c[nH]c2cccc(Cl)c12 839042844 YVDZNHDSWXDDJP-NSHDSACASA-N 289.762 3.709 30 20 CHED C=C(C)COc1cccc(NCc2ccoc2C(=O)O)c1 833371005 UMFMZFMWMOEENW-UHFFFAOYSA-N 287.315 3.545 30 20 CHED C=CCC[C@H](OC(=O)c1cccc(NC(=O)O)c1)C1CC1 833373293 JYAAHYHIAURFMK-AWEZNQCLSA-N 289.331 3.678 30 20 CHED CC(C)(C)OC(=O)N[C@@H](C=NOC1CCCC1)CC1CC1 834969882 YVZCHNCKJPNDAI-CYBMUJFWSA-N 296.411 3.625 30 20 CHED CC(C)CCOC1CCN([C@@H](C#N)c2ccccc2)CC1 595299104 UZUDDXYSACPPNH-SFHVURJKSA-N 286.419 3.778 30 20 CHED Cc1ccc2cc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)ccc2n1 839057699 UIJCWZSQCMAQPX-XJKSGUPXSA-N 294.354 3.782 30 20 CHED C#C[C@@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(C)C 836785453 PFOFRARLDOCVBJ-SMDDNHRTSA-N 297.320 3.740 30 20 CHED CSCCCCC(=O)[C@H](C#N)c1ccc2ccccc2n1 740527842 KROGTANURMDXDE-CQSZACIVSA-N 298.411 3.944 30 20 CHED CCN(C(=O)/C=C(/C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 917647016 RCEBZHSQORJOKK-FZDNWWAKSA-N 282.387 3.824 30 20 CHED CC[C@H](CC(C)C)C(=O)N(C)c1ccc(C#N)cc1F 590982099 OGXQHIZXQSSSKZ-CYBMUJFWSA-N 276.355 3.732 30 20 CHED CC[C@@H](C#N)C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 593741868 SDWOOXUXJNEYRL-GOEBONIOSA-N 282.387 3.680 30 20 CHED N#CCC1(CNc2ccccc2Sc2ncccn2)CC1 594705496 ZPEHPVCDCPGTNL-UHFFFAOYSA-N 296.399 3.734 30 20 CHED CCC(=NNC(=S)Nc1ccc(C)c(C)c1)C1CC1 741161444 VRVUUANAHYITRG-UHFFFAOYSA-N 275.421 3.766 30 20 CHED N#Cc1ccc(CN[C@@H](CCc2ccccc2)C(F)F)o1 598995494 ZEDZKFXRBQGNEL-HNNXBMFYSA-N 290.313 3.507 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2ncccn2)cc1 741848384 TVTYXGQFKSIMHG-AWEZNQCLSA-N 266.348 3.521 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1ccncc1 741692963 HKDFJFHHNKJBSN-KBMXLJTQSA-N 272.392 3.641 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(N=S(C)(C)=O)cc1 848125314 VPAHKCSEKMHQDS-HNNXBMFYSA-N 294.420 3.587 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@H](C)C(=O)c1ccccc1 678881284 CRRSXRIMDXTBCR-LSDHHAIUSA-N 287.403 3.757 30 20 CHED C=C(C)CONC(=O)Nc1ccc(OC(C)C)cc1Cl 844642654 YWRVCPRXQKCVRY-UHFFFAOYSA-N 298.770 3.756 30 20 CHED N#CC1(CCOC(=O)CSC(F)(F)F)CCCCC1 840204283 IQBZUZIHYUNYAN-UHFFFAOYSA-N 295.326 3.647 30 20 CHED CC[C@@H](CSc1ccc(C#N)cn1)CC(F)F 594892096 XDSBFFIAKNXTAO-SECBINFHSA-N 256.321 3.727 30 20 CHED CC(CCCCC#N)=NNCCCc1ccccc1 841622868 BRCSCQHRVABALP-UHFFFAOYSA-N 257.381 3.669 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(Cl)c1OC(C)C 593482932 VNEWPUMPQNQZJQ-SNVBAGLBSA-N 280.755 3.615 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1noc2c1CCCC2 591853649 NCBGSQOODQKQMZ-CYBMUJFWSA-N 295.386 3.618 30 20 CHED CCCCCCCN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 740875899 KZYBEQZPBFONKA-OKZBNKHCSA-N 296.499 3.530 30 20 CHED C=C(C)CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 744303551 HLSOVICWJIIJNY-UHFFFAOYSA-N 270.332 3.508 30 20 CHED C#C[C@@H](OC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)c1ccccc1 842391130 ITLKEYNGJTYPIG-JLJPHGGASA-N 298.382 3.546 30 20 CHED CC#CCOC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 745021239 AGXXBAXSYXSNTN-NSHDSACASA-N 284.277 3.766 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCCC1 596164556 ODEHHXJOFRHCMG-AWEZNQCLSA-N 297.402 3.807 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@@H]2C(C)C)o1 747754146 PYOOMIZYPSKPPK-LLVKDONJSA-N 274.368 3.894 30 20 CHED CCCCCCCCNC(=N)NC[C@H]1CC1(Cl)Cl 849055923 LWZDXZIGWPASBL-LLVKDONJSA-N 294.270 3.655 30 20 CHED Cc1cc(C)cc(NN=Cc2csc([N+](=O)[O-])c2)c1 917540395 NHGYAUCKKLCCOV-UHFFFAOYSA-N 275.333 3.719 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCC(C)(C)c1ccccc1 684767753 RBYWINVEURRKLK-WBVHZDCISA-N 273.420 3.535 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CCN(C(C)(C)C)C1=O 842882203 PJQGFETVQWVIHF-CABCVRRESA-N 280.456 3.500 30 20 CHED CCc1ccccc1NN=C(C)c1ccc2nc(O)[nH]c2c1 915051493 HCAXFHOZSNWLAK-UHFFFAOYSA-N 294.358 3.667 30 20 CHED Fc1ccc(CNN=C2CCCCCC2)cc1F 915975395 BQICDOTZLNNMIA-UHFFFAOYSA-N 252.308 3.765 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cnn(C)c2C)c(C)c1 849249540 JGMCTSSTWFDNMZ-VQHVLOKHSA-N 298.386 3.722 30 20 CHED COc1cc(C=NNc2cccc(C)c2)cc(Cl)c1O 916256106 LPJOVHYTQAYZQT-UHFFFAOYSA-N 290.750 3.809 30 20 CHED C=C(C)CONC(=O)c1cccc(N[C@H](C)C(C)C)c1C 846537376 LOAVGRHCVRCZKH-CQSZACIVSA-N 290.407 3.689 30 20 CHED CCC(CC)NN=C(C)c1nc2cc(Cl)ccc2n1C 749165438 WWHQTRMJYQYEJH-UHFFFAOYSA-N 292.814 3.729 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](CCC#N)c1ccccc1 747691054 USUXISPJVQLFQB-SMEDBKPVSA-N 294.354 3.865 30 20 CHED CC(C)CCCCC(=O)Nc1nc(Cl)c(C#N)s1 841223470 LINQCAGGQDFMNV-UHFFFAOYSA-N 285.800 3.823 30 20 CHED CC[C@H](OCCON=C1CCCOCC1)c1ccccc1 844766785 PKVSTELQDULWEG-KRWDZBQOSA-N 291.391 3.727 30 20 CHED C#CCN(C(=O)Nc1cccc(-c2nccs2)c1)C(C)C 929896445 IRQNDEILINVDNN-UHFFFAOYSA-N 299.399 3.686 30 20 CHED FC(F)(F)c1ccccc1NN=CC1CCOCC1 755467265 ONZBTEQZTCOFIL-UHFFFAOYSA-N 272.270 3.530 30 20 CHED C#CCOc1ccc(CN[C@H]2CCC23CCCC3)cc1 758596502 SUIVPGKHDKZKNG-KRWDZBQOSA-N 269.388 3.511 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2ccc(O)c(C)c2)c1C 759653972 YEMNJGABSFVPKD-CLFYSBASSA-N 298.386 3.820 30 20 CHED C=CCCOCC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 681697752 XUMPWKKWHHFDFJ-KRWDZBQOSA-N 287.403 3.506 30 20 CHED C=CCN(Cc1cc(C)ccn1)CC1CCCCC1 683009124 GJTWRYAXGQLDLM-UHFFFAOYSA-N 258.409 3.958 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)c(O)c1 757476266 OYWKTEBLHGZBIJ-ZZXKWVIFSA-N 288.730 3.956 30 20 CHED CSCCON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853341274 KUHCVJOWHXPRKA-VHSXEESVSA-N 269.332 3.721 30 20 CHED C=C1CC(c2noc(-c3ccc(CN4CCCCC4)o3)n2)C1 924122791 WIMHDYNMZHXQRZ-UHFFFAOYSA-N 299.374 3.749 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1F)c1cc(O)ccc1O 753718289 VVUVBEDVZTVKPP-KTAJNNJTSA-N 292.693 3.786 30 20 CHED C=CCc1cc(OC)cc(CN(C)CC2CCCC2)c1O 754720877 UPXNCBLLVLYQLW-UHFFFAOYSA-N 289.419 3.751 30 20 CHED C#CCC[C@@H](C)OC(=O)C1(C(F)(F)F)CCCCC1 851082555 BAIBFLFQUXWWJX-LLVKDONJSA-N 276.298 3.844 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCc1cccs1 920944726 INRYXYSBFRKXJK-DHDCSXOGSA-N 265.765 3.769 30 20 CHED CCN(Cc1cc(F)ccc1C#N)c1ccc(OC)cc1 759330245 HQTQARQNYNQPTA-UHFFFAOYSA-N 284.334 3.732 30 20 CHED N#CCc1ccccc1C(=O)OCCCCC(F)(F)F 751656029 JBZLKOZIJYSSHQ-UHFFFAOYSA-N 285.265 3.642 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(O)c(F)c2)c2ccccc21 755592335 ZPHMKXNLEVTVAV-VURMDHGXSA-N 295.313 3.919 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(C(F)F)nc1 853009414 KJPIIAOTUXCDIY-GQCTYLIASA-N 291.301 3.522 30 20 CHED C#CC[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 757600402 YIRLNBIZPJONNY-KRWDZBQOSA-N 297.785 3.763 30 20 CHED C=C[C@H](OC(=O)[C@@H](C)c1c(C)noc1C)c1ccccc1 851452006 GGXIXYOSGLEQIN-NHYWBVRUSA-N 285.343 3.865 30 20 CHED CCCn1nccc1/C=C1/Cc2ccc(Cl)cc2C1=O 853006634 HPZPZTPYOGMHQB-XFXZXTDPSA-N 286.762 3.769 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@](C)(CC)C(F)(F)F)C1 933518071 ZFGYHJYBOZDHJH-DGCLKSJQSA-N 292.345 3.715 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 753944728 JTLSZLBNXOSBMM-UHFFFAOYSA-N 290.366 3.791 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](c1ccncc1)C1CC1 934697543 JVIRCGMUZIHWHB-SFHVURJKSA-N 277.371 3.503 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(C(C)C)nc1C 860199311 BCEATFXSOCZPJT-UHFFFAOYSA-N 288.391 3.887 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1ccc(F)cc1F 767664598 DFJSUJCEHSKRMT-NSHDSACASA-N 266.287 3.763 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1ccc(F)c(Cl)c1 860870604 RFWWVUDBBGHEOU-JTQLQIEISA-N 297.757 3.893 30 20 CHED C[C@@H]1CCC[C@H](C=NNCc2ccc(F)c(F)c2)C1 768361783 WPCACSIFNHNYKI-NEPJUHHUSA-N 266.335 3.867 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C#N)c(C)c1 765117373 CUGDFSKMCKRFGH-UHFFFAOYSA-N 255.317 3.541 30 20 CHED Cc1nc2c(NCc3ccc(C#N)c(C)c3)cccc2o1 864014305 LHZWJTDTUSAAJF-UHFFFAOYSA-N 277.327 3.928 30 20 CHED CC(C)c1cccc(C(=O)OCc2cc(F)ccc2C#N)n1 762054924 HCFLSRRGSTVKLP-UHFFFAOYSA-N 298.317 3.573 30 20 CHED CCn1nc(C=NNc2cc(Cl)ccn2)c2ccccc21 769799622 YKZYERSVTBHDTE-UHFFFAOYSA-N 299.765 3.551 30 20 CHED CC(C)(CC#N)CNC(=O)CC(C)(C)c1ccc(F)cc1 868843195 RXWWUVAATAXXMP-UHFFFAOYSA-N 290.382 3.549 30 20 CHED CCCC[C@@H]1CCCC1=NNc1ccc(C(=O)O)cn1 763367889 IPTLYIVCWGLUOF-LLVKDONJSA-N 275.352 3.538 30 20 CHED FC(F)(F)C(F)(F)CNN=Cc1cc(Cl)cs1 863181220 KVUPUESJXCTPFR-UHFFFAOYSA-N 292.660 3.523 30 20 CHED COc1cccc(C(C)=NNc2ccc(F)cc2OC)c1 761886193 WCVUHIKNVLENGU-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C=CCC[C@H](CC)NC[C@@]1(O)CCCc2ccccc21 765877717 FOMTVLSXXJCDPM-WMZOPIPTSA-N 273.420 3.545 30 20 CHED Cc1ccc(-c2n[nH]cc2CN(CCC#N)CC(C)C)cc1 768154384 SHTQIUBXXQCYCR-UHFFFAOYSA-N 296.418 3.757 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(O)cc1SC 879746060 VFZSSVLOWLCXOA-UHFFFAOYSA-N 265.378 3.655 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1ccccc1)c1ccncc1 878071780 XKWBUSPCPJZOKS-GOSISDBHSA-N 294.398 3.890 30 20 CHED C=C(C)CCOC(=O)c1cc(C)n(C2CCCCC2)n1 776524700 NZSQXMVOHSMGFL-UHFFFAOYSA-N 276.380 3.820 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1ccoc1 771939858 LWCFZIZJIWLWGY-AWEZNQCLSA-N 265.397 3.935 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C)c(N2CCCC2)c1 874944314 FUGFSFPCVIBEIY-UHFFFAOYSA-N 284.403 3.583 30 20 CHED C=CC(C)(C)CC(=O)NCc1nc2ccccc2n1C(C)C 878892970 IOPMMQNBBWJOAC-UHFFFAOYSA-N 299.418 3.836 30 20 CHED Cc1cc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1 774595241 AUDIAFVDGIJPKS-ZQIUZPCESA-N 271.408 3.552 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(Cl)nc1 776190414 VSXFFTPYXXRPRU-HYXAFXHYSA-N 272.735 3.589 30 20 CHED C=C(C)[C@H](N[C@@H](C)C(=O)OCCC)c1ccc(F)c(F)c1 775721396 XQAOLRYPKXSIHC-NHYWBVRUSA-N 297.345 3.513 30 20 CHED C#CC[C@@H](NCCCOC(C)(C)C)c1ccccc1 775400674 REPGHUAHONYPKI-MRXNPFEDSA-N 259.393 3.546 30 20 CHED C#CC[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccccc1 775401347 SKHYRNWSPBGYJA-MSOLQXFVSA-N 299.801 3.728 30 20 CHED C=CCC[C@@H](NC(=O)C(F)(F)C(F)F)c1ccccc1 772243352 KIQUNKIDDYTNPN-LLVKDONJSA-N 289.272 3.711 30 20 CHED C=C(Cl)CN[C@H]1CCCOc2c(C)cc(C)cc21 773003513 DXNAEQIYBJVWBX-AWEZNQCLSA-N 265.784 3.859 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@H]1C=CCC1 881497054 RUISWOIHTQDDDU-ZDUSSCGKSA-N 273.401 3.661 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCCNc3ccccc32)c1 774311741 VILWPROLNTXPBN-UHFFFAOYSA-N 296.330 3.617 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1cnc(C2CC2)o1 887721124 ZGDJMTFBOZMMQB-UHFFFAOYSA-N 299.326 3.508 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C1CCCC1)C(F)(F)F 883980492 NQGRJWHCMZFJOP-LBPRGKRZSA-N 277.330 3.826 30 20 CHED CC(C)CN(C(=O)[C@@H](F)C(C)C)c1ccc(C#N)cc1 784046333 CKDZLMIDHITGDW-HNNXBMFYSA-N 276.355 3.541 30 20 CHED N#Cc1cccc(C(=O)OCc2sccc2Cl)c1 785918998 MHXARPIIAIIXIL-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CC(C)(C)CC(=NN[C@@H](CO)c1ccccc1)C1CC1 788462131 UXVSOWLFZBLXQL-INIZCTEOSA-N 274.408 3.512 30 20 CHED Cc1cccc2c(N3CCC[C@H](CF)C3)c(C#N)cnc12 882801324 MZWIDHWZXYEYLF-CYBMUJFWSA-N 283.350 3.601 30 20 CHED CCC(CC)N(CC)C(=O)Nc1cc(C#N)c(F)cc1F 880712284 IETAMKCYVDYGFN-UHFFFAOYSA-N 295.333 3.879 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccc(Cl)cc1 782197652 VNRVONMABOLPNM-OAHLLOKOSA-N 282.767 3.612 30 20 CHED C=CC(C)(C)CC(=O)OCc1cc(COC(C)(C)C)on1 891810517 ZQFYFJBBDBNIHA-UHFFFAOYSA-N 295.379 3.635 30 20 CHED C=C[C@H](C(=O)N1CCC[C@H](CCF)C1)c1ccccc1 1123928618 SAHKBUZTWQAYOV-ZBFHGGJFSA-N 275.367 3.554 30 20 CHED Cc1cc(C)c(CNC(=O)c2ccc(C#N)cc2F)c(C)c1 1124840883 FCAQDXLENRRXGO-UHFFFAOYSA-N 296.345 3.553 30 20 CHED CCc1nnc(S)n1N=CC1CCC(C(C)(C)C)CC1 783796911 CLRBIWLUNVPKIU-UHFFFAOYSA-N 294.468 3.816 30 20 CHED N#CC1(C(=O)OC/C=C\c2ccc(Cl)cc2)CCC1 787710491 OZTAWDBJWNOYPQ-IWQZZHSRSA-N 275.735 3.590 30 20 CHED C=C1CC(c2noc([C@H]3CCCN3Cc3ccccc3)n2)C1 896882921 MIAYAISVMAGHKS-MRXNPFEDSA-N 295.386 3.840 30 20 CHED C=Cc1ccc(C(=O)OCc2cccc(C#N)c2F)cc1 785624106 SLMJZJGORUTFCM-UHFFFAOYSA-N 281.286 3.697 30 20 CHED Cc1nc(N[C@@H](c2ccccn2)C2CC2)c(Cl)cc1C#N 895795510 FKKRFSFOPMVQRT-OAHLLOKOSA-N 298.777 3.873 30 20 CHED CC(C)(C)CCn1ccc(-c2ccc(C#N)cc2)n1 783558494 QJCGBAIUVVSKBQ-UHFFFAOYSA-N 253.349 3.858 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cn(C)nc2C2CC2)c1 899354872 LLGCTCSRUANHCQ-SREVYHEPSA-N 280.371 3.810 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cccc2cccnc12 782298472 ABSCXXCYDSTYMG-HNNXBMFYSA-N 267.376 3.737 30 20 CHED C=C1CCC(C(=O)N(CC#N)c2ccc(Cl)cc2)CC1 892087714 ASCULZLHUQBUFD-UHFFFAOYSA-N 288.778 3.943 30 20 CHED C[C@H](c1ccccn1)N(C)c1ccc(C#N)c(Cl)c1 91475661 POBPZLHDHWWVJV-LLVKDONJSA-N 271.751 3.804 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C)cnc1Cl 890142217 VXYIOXJVQBVKSB-UHFFFAOYSA-N 252.745 3.584 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc([C@@H]2CCOC2)cc1 890197677 OEMRHPOKYFMBNK-CQSZACIVSA-N 274.360 3.698 30 20 CHED O=C(/C=C/c1ccc(OCC2CC2)cc1)c1cscn1 790225520 PSZKRWRQLVQZHJ-VMPITWQZSA-N 285.368 3.828 30 20 CHED CC(C)(C)CCCOC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 795816214 HNCWOVGRCOABDO-MRXNPFEDSA-N 298.386 3.610 30 20 CHED C#CCN(C(=O)c1cc(Cl)c(Cl)[nH]1)C1CCCCC1 688805277 IJKHTRLKIAYZSW-UHFFFAOYSA-N 299.201 3.730 30 20 CHED CC[C@@H]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 1136756900 VJCFDTBAFWFZAX-SJLPKXTDSA-N 298.430 3.798 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1cccc(-n2cccn2)c1 799498946 FZUWVINWGGTNOR-MDZDMXLPSA-N 299.333 3.640 30 20 CHED C#C[C@H](NC(=O)N[C@@H](CCC=C)c1ccccc1)C(C)C 798544712 RJUCPPJFLQKRRJ-IRXDYDNUSA-N 284.403 3.651 30 20 CHED C#Cc1cccc(NC(=O)c2cnc3c(F)cccc3c2)c1 794218897 LEKZBILBCZQMBZ-UHFFFAOYSA-N 290.297 3.608 30 20 CHED COc1cccc([C@@H](C)N[C@H](C)CC(C)(C)C#N)c1 695817255 SDUMCCXIKQXSAO-CHWSQXEVSA-N 260.381 3.674 30 20 CHED CN(C)c1ccc(NCc2cc(C#N)cs2)cc1Cl 93687391 DVUAEFZFTNMDNH-UHFFFAOYSA-N 291.807 3.951 30 20 CHED C[C@H](Nc1cccc(OCC#N)c1)C1CCSCC1 793060866 FHEAGGICCZCNDH-LBPRGKRZSA-N 276.405 3.533 30 20 CHED CCOc1ncc(C)cc1N[C@H](C)CC(C)(C)C#N 1308783641 BITIDIYKSVTYSU-GFCCVEGCSA-N 261.369 3.529 30 20 CHED C=CCCCCCNc1cnn(CC(F)(F)F)c1 902194325 AROPPHUWRISKDJ-UHFFFAOYSA-N 261.291 3.604 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)Cc2ccccc21 1168858946 HGOMTATUOHVNHM-UHFFFAOYSA-N 294.373 3.991 30 20 CHED Cc1cc(SCC[C@@H]2CCCCN2C)ccc1C#N 1166394047 ZZVXWMUXTLPQCW-HNNXBMFYSA-N 274.433 3.833 30 20 CHED C[C@H]1C[C@@H](CCNc2cc(C#N)cnn2)CC(C)(C)C1 1163192404 WODRLNZCSUINTR-QWHCGFSZSA-N 272.396 3.613 30 20 CHED CC[C@H](C)c1nnc(-c2ccc(Cl)c(C#N)c2)o1 1328339333 MHNUFHFLKKIEIB-QMMMGPOBSA-N 261.712 3.775 30 20 CHED CCCCCCCc1nc(-c2ccnc(C)c2)no1 1247542157 AVLHCHIINBBSJX-UHFFFAOYSA-N 259.353 3.953 30 20 CHED C=CCCN(C)C(=O)Nc1cc(-n2cccc2)ccc1F 1324398951 VRDQWYRZVDLHEI-UHFFFAOYSA-N 287.338 3.656 30 20 CHED COc1ccc(C)cc1[C@H](C)Nc1cccc(CC#N)n1 1325273316 FGRGJASECSTIPX-ZDUSSCGKSA-N 281.359 3.638 30 20 CHED C[C@H]1CC(NCCc2ccc(C#N)cc2)C[C@H](C)C1 1258151698 MTTFVMGVDUDCJC-ZIAGYGMSSA-N 256.393 3.515 30 20 CHED C[C@@H]1CCc2nc(C=NNc3ccccc3)sc2C1 1330306068 WNLDULUYOQDLHJ-LLVKDONJSA-N 271.389 3.714 30 20 CHED COc1ccc(C=NNCc2ccc(F)cc2)cc1Cl 1333358992 XQKQCRHSVGUVNI-UHFFFAOYSA-N 292.741 3.611 30 20 CHED C#C[C@H](N[C@H](C)C1CCC(F)(F)CC1)C(C)(C)C 809782911 KRTOSVPMUWFJJS-YPMHNXCESA-N 257.368 3.838 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1nc(C)cs1 1339886614 VWRPTAYRPBDPSB-CHWSQXEVSA-N 293.436 3.653 30 20 CHED N#Cc1ccc(NC(=S)N[C@@H]2C=CCCC2)cc1Cl 1340250199 PFYVRPJWZMCBQA-LLVKDONJSA-N 291.807 3.607 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc(F)c(C(C)=O)c1 1347199219 NCUAFHRFNKOKSP-LLVKDONJSA-N 264.296 3.536 30 20 CHED Cc1ccccc1C1(C(=O)O[C@@H]2CC[C@H](C#N)C2)CCC1 1347169394 CUWCJXRWHWQRIX-LSDHHAIUSA-N 283.371 3.652 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)Cc1cccc(Cl)c1 1340892578 LSVOFXKUABBWRE-DOMZBBRYSA-N 292.810 3.669 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2C2CCCC2)c1F 219518316 STVYZHRYAHWZJE-INIZCTEOSA-N 272.367 3.852 30 20 CHED C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 1353768086 LLDYAWDVPOKTGM-YECZKDOJSA-N 296.414 3.625 30 20 CHED C=C(CC)C(=O)Nc1ccc(OCC(F)(F)F)cc1 1518821900 SBKXXIWRHTWXQU-UHFFFAOYSA-N 273.254 3.532 30 20 CHED C[C@@H](OC(=O)CCCC(=O)c1ccccc1)C(C)(C)C#N 1516903635 INUDOMKTIOMMRL-CYBMUJFWSA-N 287.359 3.521 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ncc(Cl)cc2Cl)C1 1518247037 BGEURTHMSJRVNJ-WPRPVWTQSA-N 299.157 3.628 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCc1cscn1 111629773 YQDKMMIDPYZFCJ-UHFFFAOYSA-N 297.305 3.688 30 20 CHED CC(=O)c1cccc(CNc2nc(C)c(C#N)cc2Cl)c1 1458455990 OQZSNBIAGYKUSP-UHFFFAOYSA-N 299.761 3.730 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cc(C(=O)O)cs1 1602836580 YNWPOQPBOHTSOA-SNVBAGLBSA-N 267.394 3.699 30 20 CHED CCCOc1ccc(CN2CCC(CC#N)CC2)cc1C 1474439734 SOCFSIZQGCRNCL-UHFFFAOYSA-N 286.419 3.910 30 20 CHED CC(C)[C@@H](Cc1ccccc1)Nc1cccc(C#N)n1 1559278359 YTBVFOZBNNHPRL-MRXNPFEDSA-N 265.360 3.632 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC(C)(C)C1CCC1 1562450223 GJICKVYCQHMOKF-UHFFFAOYSA-N 285.391 3.815 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1Cc1cc(C#N)ccc1OC 1657639184 MYRWXIYBHMZYBF-YOEHRIQHSA-N 286.419 3.967 30 20 CHED C=CCCS(=O)(=O)Nc1ccccc1-c1ccccc1 123025684 FBTSGGGEMMAHJG-UHFFFAOYSA-N 287.384 3.671 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1cc(C)ncc1C#N 1655374839 UFHOXTSFLFWGND-ZROIWOOFSA-N 277.371 3.801 30 20 CHED CC[C@H]1CCCN(c2ncc(Cl)c(C)c2C#N)CC1 1650744654 JECNSDCDPGKWLS-LBPRGKRZSA-N 277.799 3.932 30 20 CHED N#C[C@@H]1CCC[C@H](NCC2(c3cccc(F)c3)CCC2)C1 1660668946 SXZIBTSYWSWJCI-PBHICJAKSA-N 286.394 3.919 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 1669820842 XPQMMGJYUNNLAD-YXWQFLTLSA-N 297.402 3.813 30 20 CHED C=CCC[C@H](NCc1ccc(C2CC2)c(C2CC2)c1)C(=O)O 1776168540 JYKPQTCYSFCCMC-SFHVURJKSA-N 299.414 3.950 30 20 CHED CC(Cc1cccc(C)c1)=NNc1ccc(CC(=O)O)cc1 1776086042 YTJGWTNIEUZPHS-UHFFFAOYSA-N 296.370 3.653 30 20 CHED C=C(Cl)C[C@@H](NCC1CCCCCCC1)C(=O)O 1776142538 GKVKYFTUTOPUFD-CYBMUJFWSA-N 273.804 3.532 30 20 CHED C=CCC[C@H](CC(C)C)C(=O)OCc1cc(C(=O)O)co1 1776165948 LLJGNBOIUQFVLL-GFCCVEGCSA-N 294.347 3.650 30 20 CHED C[C@@](O)(CNc1ccc(C#N)cc1)c1ccccc1Cl 160189631 VNZYIRLERDBLDC-MRXNPFEDSA-N 286.762 3.531 30 20 CHED C[C@@H](N(C)C(=O)N[C@H](CCC#N)c1ccccc1)C1(C)CC1 160505326 FARSYSRSGKKWOK-GDBMZVCRSA-N 299.418 3.861 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC1(C2CC2)CCC1 163363839 UWFINXHAUHRRPD-UHFFFAOYSA-N 283.375 3.569 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 153590109 IGRNVXSNVTWDKD-QMTHXVAHSA-N 276.767 3.520 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H](c2ccccc2)CC1 154855773 RWIQYFWVFZDJKR-GOSISDBHSA-N 298.430 3.769 30 20 CHED Cc1cc(NC(=O)N2CCC[C@@H](C#N)C2)cc(C)c1Cl 931284297 SUZZEBOZICTDJO-LBPRGKRZSA-N 291.782 3.724 30 20 CHED C#CCCOC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 858880100 JJNSSURJUDBRSE-SNVBAGLBSA-N 285.265 3.516 30 20 CHED N#Cc1ccnc(NCCc2ccc(Cl)cc2)c1Cl 236057856 RROKBOWEWDOUHW-UHFFFAOYSA-N 292.169 3.915 30 20 CHED N#Cc1ccnc(N2CC[C@@H](c3ccccc3)C2)c1Cl 236029529 MDMKIDGXGNGSOM-CQSZACIVSA-N 283.762 3.601 30 20 CHED CCC(CC)(CC)NCc1cc(C#N)ccc1OC 130341486 QITJVXFPSIZCIC-UHFFFAOYSA-N 260.381 3.625 30 20 CHED N#Cc1cccc(COc2c(Cl)cccc2[N+](=O)[O-])c1 30954057 NUWJWTWCWLDFBI-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CCC(C)(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 171154920 UNTYSPJFSYVGHX-UHFFFAOYSA-N 258.365 3.862 30 20 CHED Cc1cc(CNc2cccc(F)c2C#N)ccc1F 48399183 NQAWFACCXKWUOU-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCN(Cc1cccc(C#N)c1)c1ccc(F)cc1 49900062 LOPTZBKCEVDLAM-UHFFFAOYSA-N 254.308 3.724 30 20 CHED CCCCCCCCC(=O)N[C@@H](CC(C)(C)C)C(=O)O 401436119 JVHUAJNPYNZSHO-ZDUSSCGKSA-N 285.428 3.743 30 20 CHED N#Cc1cc(Cl)cc(OCC[C@H](O)c2ccccc2)c1 402449902 RXZZUMXTSQPESN-INIZCTEOSA-N 287.746 3.714 30 20 CHED C=CCCCCCCN[C@H]1CCO[C@@H](C(F)(F)F)C1 312081097 TWMQVSPDMCYSOJ-QWHCGFSZSA-N 279.346 3.822 30 20 CHED Cc1ccnc(CNc2cc(Cl)ccc2C#N)c1 336901807 SYBQEXNRCONCCL-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1cccc(C[S@@](=O)Cc2ccc(CC#N)cc2)c1 342261807 XOFDZWNISSXJPZ-FQEVSTJZSA-N 283.396 3.510 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(CCCC)no1 470917936 OICTUWVEZJCTOG-UHFFFAOYSA-N 299.418 3.991 30 20 CHED Cc1cccc(CNc2cccc(OCC#N)c2)c1F 384515154 IJGPTXKAERLNNL-UHFFFAOYSA-N 270.307 3.649 30 20 CHED C[C@@H](CSC(C)(C)C)NCC(C)(C)CCC#N 806177780 JMGFOTXPPUTFIK-LBPRGKRZSA-N 256.459 3.826 30 20 CHED CC(C)C[C@H]1CCN(Cc2ccc(CC#N)cc2)C1 399252645 LWQOTBZHDDFJTP-QGZVFWFLSA-N 256.393 3.621 30 20 CHED C=CCCOC(=O)c1cc(Br)cn1C(C)C 744049265 LFDNJWIOOMBTSM-UHFFFAOYSA-N 286.169 3.564 30 20 CHED C=C[C@H]1CCCCN1c1cc(Cl)nc(C2CC2)n1 784670145 AOAJVHODUWLAFQ-NSHDSACASA-N 263.772 3.552 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1 54801702 FJYISVDEZHARBW-KRXBUXKQSA-N 280.323 3.526 30 20 CHED C=CCCC(=O)Oc1ccc(Oc2ccccn2)cc1 102224502 XZTILDMQGCKXAW-UHFFFAOYSA-N 269.300 3.746 30 20 CHED C=CCCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 176178794 OYCCJLHWYJFOIL-ZBEGNZNMSA-N 261.340 3.532 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(C)[C@H](C)CC#N 177630577 QTKZBYPHKLOXSE-ZIAGYGMSSA-N 252.402 3.744 30 20 CHED C=CC[C@H](C)NC(=O)/C=C(\C)c1ccccc1OC(F)F 175423108 ZAXWQHYBQVPMTG-IIANPFDCSA-N 295.329 3.772 30 20 CHED CC[C@H](CNC(=O)C1(C#N)CCCCC1)c1ccccc1 57384067 NKNFMLCQCUGBSE-OAHLLOKOSA-N 284.403 3.770 30 20 CHED CC(C)(C)c1ncc(C(=O)Nc2cccc(C#N)c2)s1 108987748 ZCVDZVMFIZWCOS-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 119373449 HZIJDBXSJKWYAL-ZLDLUXBVSA-N 290.794 3.847 30 20 CHED N#C[C@H](Sc1ncn(-c2ccccc2)n1)C1CCCCC1 115186985 KFWZJJHATIRNPF-HNNXBMFYSA-N 298.415 3.832 30 20 CHED N#Cc1ccc(CNCc2ccc3c(c2)CCCC3)s1 421352433 QSPYOHOHOLCWPB-UHFFFAOYSA-N 282.412 3.788 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(-n2cccc2)ccc1F 117005737 HIRMXBIRTVOQAQ-LBPRGKRZSA-N 287.338 3.703 30 20 CHED C=CCCNc1ccc(F)cc1OCC(F)(F)F 303880758 RCULKMSPXMNBIJ-UHFFFAOYSA-N 263.234 3.755 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1cccc(F)c1 172077744 XEMFCAMQLYPSBE-WFASDCNBSA-N 276.355 3.637 30 20 CHED CCCN/C(N)=N/Cc1ccc(Sc2ccccc2)cc1 305224790 VKDRXLCIQFCKNR-UHFFFAOYSA-N 299.443 3.652 30 20 CHED CO[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 175808595 WYABXSXRXARDGY-DYVFJYSZSA-N 295.338 3.550 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccc(C)c(C)c1 177865654 LLPBZQGWGWMMFP-CYBMUJFWSA-N 263.406 3.940 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)c1nc(C(C)(C)C)cs1 301548098 XJZQLTJONZXRKS-JTQLQIEISA-N 286.404 3.880 30 20 CHED C=CCCO[C@H](C)C(=O)NC(C)(C)c1ccc(Cl)cc1 66527363 IXIFWNQFFXJMIE-GFCCVEGCSA-N 295.810 3.673 30 20 CHED C=CCCC(=O)N(Cc1cccc(C)c1)Cc1ccccn1 112288122 NIAHLUYKJUWAQD-UHFFFAOYSA-N 294.398 3.885 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(N(C)C)c(F)c1 119034225 KSCNEYRXVXRJOO-FNORWQNLSA-N 273.307 3.689 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)NC1CCCCCCC1 27361605 WZAAJODNKWPAHZ-UHFFFAOYSA-N 299.418 3.813 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccs2)cc1[N+](=O)[O-] 111682120 BFIZRFMCEJSTDB-SREVYHEPSA-N 273.313 3.861 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 64456138 SFRXJLMZLDJXGJ-XJKSGUPXSA-N 298.386 3.744 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(C#N)cs2)C1 177044492 DZFILANMNDDISU-QWHCGFSZSA-N 276.405 3.564 30 20 CHED Cc1cnc([C@@H](C)Nc2nc(Cl)c(C#N)s2)s1 235217328 OXQHYOFYLPVTJW-ZCFIWIBFSA-N 284.797 3.606 30 20 CHED N#CCOc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 175006953 KWBDOJHCXOQNLJ-GOSISDBHSA-N 296.345 3.505 30 20 CHED CCc1ccc(N/C(N)=N/Cc2cccc(Cl)c2)cc1 303715892 SIPFSCRGYFNMKY-UHFFFAOYSA-N 287.794 3.829 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H]1c1ccccc1Cl 123235431 SKFOAXOYNWYLSE-XJKSGUPXSA-N 279.811 3.804 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccn1 37777412 AYUMXUKCSGMKFU-CQSZACIVSA-N 281.359 3.937 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 127633662 LBLNBYMOZYWAET-PWSUYJOCSA-N 295.452 3.852 30 20 CHED C=CCCC[C@H](C)NC(=O)c1sc(C)cc1OC 182600877 YYUYAOKHAUOOFL-JTQLQIEISA-N 267.394 3.540 30 20 CHED N#Cc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 125631863 UNOWHRLGGPXWGD-UHFFFAOYSA-N 298.430 3.872 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)Cc1cccc(C#N)n1 602442476 ZCVWIGMBKOVVFK-GFCCVEGCSA-N 285.778 3.800 30 20 CHED Fc1ccc2c(c1)[C@@H](O/N=C1/CCCOCC1)CCC2 180495474 OPBWKALCDSZVCM-IYWFSZBXSA-N 277.339 3.776 30 20 CHED Cc1ccccc1C(=O)Nc1ccccc1O[C@H](C)C#N 182077834 PKIYCZNSUZLFIP-CYBMUJFWSA-N 280.327 3.538 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1 75297693 VOOMYACSLLCOEP-ZWKOTPCHSA-N 290.366 3.599 30 20 CHED C=C(C)CSCC(=O)N1CCc2sccc2[C@@H]1CC 182770421 XEDQXINYELHJSB-ZDUSSCGKSA-N 295.473 3.893 30 20 CHED Cc1noc(C)c1[C@@H](C)CNc1ccc(F)cc1C#N 129493793 ZTNNKYWOOUJXEY-VIFPVBQESA-N 273.311 3.518 30 20 CHED Cc1ccc(CNc2ccc(Cl)c(C#N)c2)c(C)n1 187707390 MTZZTQPGHJCUTE-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccccc1 124853680 HVQWICGWSMDJEQ-GFCCVEGCSA-N 281.315 3.682 30 20 CHED C[C@H](CN[C@H]1CCC[C@H](C#N)C1)Oc1ccc(Cl)cc1 185846645 AVVMPCSMUCUQCK-IPYPFGDCSA-N 292.810 3.779 30 20 CHED C#CCOCCC(=O)Nc1ccc(SC(C)(C)C)cc1 128165320 UOJIKKRBGUYQBE-UHFFFAOYSA-N 291.416 3.556 30 20 CHED C[C@@H](O)CN(CCC1(C#N)CCCCC1)c1ccccc1 411286327 ABDSVWMYGZFTSJ-MRXNPFEDSA-N 286.419 3.738 30 20 CHED CCCc1noc(CSCc2ccc(C#N)cc2C)n1 186081328 FIHDOLJIQXMRCG-UHFFFAOYSA-N 287.388 3.636 30 20 CHED CC(C)(CCC#N)CNCc1ccc2c(c1)CCCC2 491223409 MXQHLISWQRUZOL-UHFFFAOYSA-N 270.420 3.985 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCOc2c(F)cccc21 188050826 MFDRDXDZRCFJKB-ZOWXZIJZSA-N 263.356 3.840 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1cccc(C2CC2)c1 412288790 MCWMBFLLJHMVTE-KRWDZBQOSA-N 269.388 3.674 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC(C)C)cc1 185177237 VHDKEVCLPJOPRP-UHFFFAOYSA-N 259.349 3.606 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(CSCC)ccn1 188553543 YXCRKMRXLSCLSF-OAHLLOKOSA-N 278.421 3.876 30 20 CHED C=CCC[C@H](NC(=O)c1cnn(C(C)C)c1)c1ccccc1 188476834 ZBPBFBMGQFLDIX-KRWDZBQOSA-N 297.402 3.901 30 20 CHED C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 181991789 HDTMVTAVGDWEAY-RVKKMQEKSA-N 286.419 3.804 30 20 CHED COc1cc(OCCC2(C#N)CCCCC2)ccc1C#N 418961130 AURJMFNELPQNFL-UHFFFAOYSA-N 284.359 3.810 30 20 CHED COc1ccc([C@H](Nc2ccc(C#N)cn2)C(C)C)cc1 42848098 WXSYOGUDLCHJCR-QGZVFWFLSA-N 281.359 3.771 30 20 CHED C=CCn1c(S[C@H](C)C(C)C)nnc1-c1cccnc1 412988454 LXESMDNIEBOSNS-GFCCVEGCSA-N 288.420 3.663 30 20 CHED CC#CCCCC(=O)N1CCC[C@@]1(C)Cc1ccccc1 184018438 GYWFYAJRUFIXRJ-IBGZPJMESA-N 283.415 3.804 30 20 CHED C=CC[C@@H](C)N[C@H]1CCCc2nc(CC)sc21 180954808 RNCGELYSZPRCQY-MNOVXSKESA-N 250.411 3.637 30 20 CHED C=CCN(CCc1ccccc1)Cc1ncc(C)s1 180449751 TZIALMZTCUZUBT-UHFFFAOYSA-N 272.417 3.682 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H](c2ccccc2)C2CC2)C1 185767896 VPMVWFACYSOUFB-IAOVAPTHSA-N 254.377 3.810 30 20 CHED CN(CCCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 411998291 MPEONRYUTQPPBM-IAGOWNOFSA-N 256.393 3.948 30 20 CHED C=C[C@H](CC(=O)Nc1ccnc(C)c1)c1ccccc1 134395345 VIAFIOOIUVKJCC-CQSZACIVSA-N 266.344 3.688 30 20 CHED CCC1CCC(N(C)Cc2cc(C#N)ccc2OC)CC1 130427199 PKKVBHADMYUOSG-UHFFFAOYSA-N 286.419 3.967 30 20 CHED Cc1cccc(CC[C@H](C)NCc2cccc(C#N)c2)c1 40500812 BCSFATBLZKNAAY-INIZCTEOSA-N 278.399 3.978 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1ccc(F)cc1Cl 503677210 ALHNBOXAAWORLC-UHFFFAOYSA-N 298.789 3.629 30 20 CHED Cc1cc(C)c2nc(N=C(O)C3(C)COC3)sc2c1 329307600 PSKBOHHDUVNXBE-UHFFFAOYSA-N 276.361 3.538 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(O)cc1)c1ccccc1 130579475 WJOGDSQXEDUGNE-CYBMUJFWSA-N 267.328 3.691 30 20 CHED C=CCCCCCN[C@H](C)c1nc(C(C)(C)C)no1 193553849 WOAAZSDMDDJNSQ-GFCCVEGCSA-N 265.401 3.764 30 20 CHED CC1(C)CC[C@@H](C(O)=Nc2cccc3c2CN=C3O)C1 329290440 QOQYLDUQQJPFCO-SNVBAGLBSA-N 272.348 3.919 30 20 CHED C=C[C@H]1CCCCN1Cc1cnn(-c2ccc(F)cc2)c1 426550188 WEXKOHNWWDCJKR-INIZCTEOSA-N 285.366 3.552 30 20 CHED CCC(C)(C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425635249 ILIJFZMLVPOKQA-LBPRGKRZSA-N 258.365 3.514 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(C#N)c(F)c1 192112703 YZODQWCMDLLBJY-GFCCVEGCSA-N 280.412 3.661 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2cccc(C#N)c2)cc1 45246778 KWOZNEOOQJNLPT-AWEZNQCLSA-N 278.355 3.700 30 20 CHED C=CCSCCNC(=O)Nc1ccc(C(C)C)cc1 195729789 MVAAHFIZJUYSCS-UHFFFAOYSA-N 278.421 3.851 30 20 CHED Cn1cc(CNc2ncccc2-c2ccccc2)cc1C#N 191572538 MFZWYAORXFRRBG-UHFFFAOYSA-N 288.354 3.571 30 20 CHED Cc1ccc(-c2ccsc2C(=O)N[C@H](C)CC#N)cc1 194654760 RDDVQCGBXSZLFA-GFCCVEGCSA-N 284.384 3.756 30 20 CHED C=CC[C@@H]1N(CC2CC(OCC)C2)CCCC1(C)C 510779410 PHIAULVVNRBVPD-GPANFISMSA-N 265.441 3.868 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2CC#N)C1 336283143 LPFAQWPCECLRHL-CMPLNLGQSA-N 276.767 3.781 30 20 CHED C[C@H](NCc1ccccc1C#N)c1c(F)cccc1F 229804639 VFYMWEXIGNYWCX-NSHDSACASA-N 272.298 3.687 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2ccccc2CC#N)C1 335491765 TWSGKNGPPFPZNI-ZDUSSCGKSA-N 256.349 3.517 30 20 CHED CCCCCCCCC[S@@](=O)Cc1cc(C)on1 190758757 QVLBSLSYUZKUPI-GOSISDBHSA-N 271.426 3.982 30 20 CHED CC[C@@H]1CCCC[C@H]1/N=C(/O)c1ncc(C#N)cc1Cl 331177358 FWMLPIUMSYEMSH-DGCLKSJQSA-N 291.782 3.880 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC1CC(F)(F)C1 425108143 KFQWOALBQQVVCJ-NSHDSACASA-N 292.329 3.513 30 20 CHED C=CCSCCN[C@H](COC)c1ccc(Cl)cc1 194091313 PDARGWQWUYXAJG-CQSZACIVSA-N 285.840 3.536 30 20 CHED C=CCCCCCSc1nnc(C)n1CC=C 195418265 YNZCQFJMJARCAS-UHFFFAOYSA-N 251.399 3.611 30 20 CHED C=CCC1(C(=O)Nc2ccc3oc(CO)cc3c2)CCC1 514804964 GUYKTJJCZCFPIX-UHFFFAOYSA-N 285.343 3.610 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1scnc1C(C)C 424871011 LQEDPMABIWOCAT-UHFFFAOYSA-N 252.383 3.807 30 20 CHED CC(C)C/N=C(/O)Nc1ccc2nn(C(C)C)cc2c1 331027767 QIQMFUFUKPXKQD-UHFFFAOYSA-N 274.368 3.599 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(OC(F)F)c(Cl)c1 93091178 DLCZZOFZOWLDKL-SECBINFHSA-N 288.725 3.675 30 20 CHED CC[C@H](C)[C@H](C)/N=C(/O)Nc1cnn([C@@H](C)CC)c1C 331101568 DCYPKHIPMXAXRR-SRVKXCTJSA-N 280.416 3.923 30 20 CHED C=CCOc1ccc(CN(CC#N)CCC)cc1Cl 92398010 ZZNFMQHXRMPTLY-UHFFFAOYSA-N 278.783 3.640 30 20 CHED CCOCC/N=C(/O)Nc1ncc(C2CCCCC2)s1 330824330 VINNPWGROYFXEP-UHFFFAOYSA-N 297.424 3.553 30 20 CHED Cc1cscc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 336160458 KAWAUEKBRBQNMF-LLVKDONJSA-N 285.372 3.811 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc(C)sc1C 90450762 NVRTXKPTRLEJEQ-LBPRGKRZSA-N 253.411 3.608 30 20 CHED CC(C)OC[C@H](C)Nc1cccc(OCCCC#N)c1 337341171 QAMHTUFNPDZAPT-AWEZNQCLSA-N 276.380 3.595 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@H]1Cc1ccccc1 432091498 FWXRTUBGTVJMSY-HZPDHXFCSA-N 286.419 3.519 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(F)c(Cl)c1Cl 432745226 AOQRACIPHLRKER-MRVPVSSYSA-N 275.154 3.866 30 20 CHED CC1(C)CCC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 333262757 BENFZXOQBKEDFP-SUMWQHHRSA-N 274.408 3.545 30 20 CHED C[C@@H]1CC[C@@H](/N=C(/O)Nc2ccccc2OC(F)F)C1 331293063 QIPTVTUEONHGGB-NXEZZACHSA-N 284.306 3.803 30 20 CHED CN(C(=O)Nc1ccc(C#N)c(F)c1)C1CCCCCC1 332346529 OOQRTCJDMQYZGD-UHFFFAOYSA-N 289.354 3.884 30 20 CHED Cc1cc(C)c2cc(C(=O)Nc3cccc(C#N)c3)[nH]c2c1 248328215 BELCOLZBTPMPHG-UHFFFAOYSA-N 289.338 3.909 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)CCC(C)(C)C)CC1 522905779 UDIKXMASIZIZGA-ZDUSSCGKSA-N 266.429 3.809 30 20 CHED C=C(C)[C@H](N[C@H](C)[C@@H]1CCOC1)c1ccc(F)c(F)c1 248588739 YRMXJAVWXVCBMV-KFNAQCHYSA-N 281.346 3.597 30 20 CHED C/C(Cl)=C\CN1CCC(Oc2ccc(C#N)cc2)CC1 528370510 DTVVMWNGVZUCMF-AWNIVKPZSA-N 290.794 3.544 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC1 245507856 IOOAQZONSLQICY-IYARVYRRSA-N 298.430 3.979 30 20 CHED Cc1c(Cl)cnc(Nc2cnn(CC(C)C)c2)c1C#N 343531962 PJOYKQMLXLDXIZ-UHFFFAOYSA-N 289.770 3.511 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(CC#N)c1ccccc1 522649597 SWAWTXVKUVSGST-LSDHHAIUSA-N 270.376 3.760 30 20 CHED Cc1nsc(N2CCc3ccc(Cl)cc3C2)c1C#N 342728690 GPHVJPIEEOVLIV-UHFFFAOYSA-N 289.791 3.539 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ncc(-c2ccccc2)s1 604892027 BDMJTNVMEMUWBU-LLVKDONJSA-N 287.388 3.896 30 20 CHED Cc1cc(Cl)cc(C#N)c1Oc1cc(C2CC2)ncn1 603394883 CRDIESBJQOXEHF-UHFFFAOYSA-N 285.734 3.980 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CC2CCC1CC2 342859983 MVSNMVXVPQGJBQ-ZALBZXLWSA-N 297.402 3.755 30 20 CHED CC(C)(c1cc(F)cc(C#N)c1)c1nc(-c2ccoc2)no1 347098835 ZTQDVMOPAQSEJQ-UHFFFAOYSA-N 297.289 3.666 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1CC12CCCC2 602386551 LFFHLBRIXDRBJJ-AWEZNQCLSA-N 286.350 3.571 30 20 CHED C[C@@H](CC#N)NCc1ccc(-c2ccccc2)cc1 609449211 GUTVVGOFBYQVJD-AWEZNQCLSA-N 250.345 3.745 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H](C)C(C)(C)C 342826946 WUZJJKNHSKAGQG-AWEZNQCLSA-N 266.429 3.847 30 20 CHED C[C@@H]1C[C@@H](NCCCC#N)C[C@H](c2ccccc2)C1 346332884 MPFQGCIWYOXYRV-USXIJHARSA-N 256.393 3.852 30 20 CHED C=C(C)CN(CC)C(=O)/C=C\c1ccc(Cl)s1 255617246 XHVNSZGUKDKJBB-VURMDHGXSA-N 269.797 3.839 30 20 CHED CCSCC[C@H](C)Nc1ncc(Cl)c(C)c1C#N 343522066 WGPSFPVZSHJJTP-VIFPVBQESA-N 283.828 3.859 30 20 CHED CC(C)c1ccc(C=NOCc2cccnc2)cc1 255626037 GZBNWYQXHZFNNS-UHFFFAOYSA-N 254.333 3.756 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)c1cccc(OC(F)F)c1 341540177 ZDBGAWFMNLDSHS-JTQLQIEISA-N 289.285 3.728 30 20 CHED N#Cc1ccc(CN2CCc3c(Cl)cccc3C2)cc1 525328476 AHAVZZYBCLJLTC-UHFFFAOYSA-N 282.774 3.770 30 20 CHED CO[C@H](c1ccccc1Cl)[C@H](C)NCC1(CC#N)CC1 602802407 RARQPXKCJHBSLX-WFASDCNBSA-N 292.810 3.699 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC1CCC1)C(C)C 445211975 ITDWRMHNDCPMID-AWEZNQCLSA-N 266.429 3.951 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(N(CC)CCC)cc1 521694761 WSXITPOSTOZCMV-UHFFFAOYSA-N 286.419 3.737 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1CCC[C@H](C)C1 602385568 DMCGTZQSLRNUBC-GXTWGEPZSA-N 288.366 3.817 30 20 CHED CCC[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccn1 609585710 AVNLGJZMVKYEAZ-MRXNPFEDSA-N 296.330 3.815 30 20 CHED CC(C)[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 444003258 RNSGOFNZYBYJOJ-GFCCVEGCSA-N 297.324 3.844 30 20 CHED CC(C)Cn1ncc(NC[C@H](C)CCC#N)c1C1CC1 602663006 RDWCFHXALYORIO-CYBMUJFWSA-N 274.412 3.768 30 20 CHED N#Cc1ccc(/C=C\c2cccc(Br)c2)nc1 255617915 AXKXOZOOSXVKTB-XQRVVYSFSA-N 285.144 3.886 30 20 CHED CC(C)(NC(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 609976330 HTAIJPPVCAVLKG-UHFFFAOYSA-N 298.773 3.877 30 20 CHED C=C(C)CCN[C@@H](CC)Cc1ccc(OC)c(OC)c1 449472196 FFKLRWYRHGIZMU-HNNXBMFYSA-N 277.408 3.581 30 20 CHED Cc1cc(Cl)cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)c1 357789123 ADJISDDFOQWTHH-AWEZNQCLSA-N 299.761 3.545 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)[C@H](C)c1ccco1 350652018 GLGRIXNHLXBQEA-QWHCGFSZSA-N 288.395 3.768 30 20 CHED CC(C)(C)CCCCNC(=O)NCC(C)(C)CCC#N 352902943 ULUCVMXVRZSYSO-UHFFFAOYSA-N 281.444 3.832 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(C)(C)c1ccc(F)cc1 539435443 XTFLKBXGNWPDCH-CYBMUJFWSA-N 277.383 3.964 30 20 CHED C=CC[C@@H]1N(C(=O)NC(C2CC2)C2CC2)CCCC1(C)C 444882582 UELDKHYRFHDJOE-HNNXBMFYSA-N 290.451 3.951 30 20 CHED C=CCCC1(C(=O)NCCC2CC(OC(C)(C)C)C2)CC1 357154754 WFZZZYCHXIVPMU-UHFFFAOYSA-N 293.451 3.833 30 20 CHED C=C(C)COCCN[C@@H](C)Cc1coc2ccccc12 449182450 CEECRAMDFMTHPH-AWEZNQCLSA-N 273.376 3.546 30 20 CHED C=C(CC)CN(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 539104240 PGBUGXXVKPNMIL-PKOBYXMFSA-N 286.463 3.938 30 20 CHED CC(C)n1c([C@H]2CCCN2CCC#N)nc2ccccc21 266874615 RYDRMUIUTBHEBL-MRXNPFEDSA-N 282.391 3.668 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1CCCCC#N 354842484 WJKFUIFCQRHMGK-QWHCGFSZSA-N 260.356 3.827 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)C1 531808712 FXWVDBDTCXEJQQ-QZDWLRDRSA-N 296.414 3.578 30 20 CHED CN1CCCN(Cc2ccccc2C#N)c2ccc(F)cc21 533072027 PWVDXZWGPCDDPV-UHFFFAOYSA-N 295.361 3.544 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)C1CCCC1 619754802 KVPJENKJTXGYOK-LLVKDONJSA-N 262.784 3.880 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 610354298 WBGCPWXYSDMDIO-BFHYXJOUSA-N 287.407 3.743 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccc(O)c1Cl 351395629 JTZFXURKIYDGIM-UHFFFAOYSA-N 280.799 3.807 30 20 CHED Cc1ccccc1-n1nccc1CNc1cccc(C#N)c1 353379015 IFGFMLAYZJEVHR-UHFFFAOYSA-N 288.354 3.665 30 20 CHED COc1cc(CN2CCC[C@@H]2c2cccs2)ccc1C#N 442814018 UJTAFOPHWDWPPN-OAHLLOKOSA-N 298.411 3.965 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1F 616758889 HUQLKDPBTGVTTO-QGZVFWFLSA-N 284.309 3.783 30 20 CHED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1C(=O)N(C)C(C)C 442880974 YNBKBIHUJOAOQT-HUUCEWRRSA-N 299.418 3.580 30 20 CHED CS[C@@H](C)CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 358403181 NZHVZPBYYDXJIF-GWCFXTLKSA-N 296.823 3.553 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2CCC3(CC2)CC3)C1 617778344 DRVSCOHZUILSKR-CQSZACIVSA-N 261.409 3.772 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2C[C@@]2(C)c2ccccc2)n1 610280216 HJEFIPOABCZFCO-AEFFLSMTSA-N 277.371 3.712 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/Cc2ccco2)cc1 262300349 NUSJEJPVCPAVCN-GFCCVEGCSA-N 271.364 3.720 30 20 CHED C[C@H](NCC1Cc2ccccc2C1)c1cccc(C#N)c1 538406579 KZVBQRMKTGFSIO-AWEZNQCLSA-N 276.383 3.624 30 20 CHED CO[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C12CCC2 453171577 MJSMOLNEDKLHRE-IXDOHACOSA-N 284.403 3.579 30 20 CHED C=CCC1(C(=O)Nc2ccc(CN(C)C)c(C)c2)CCC1 458258363 FHGUEZJZRUSKTC-UHFFFAOYSA-N 286.419 3.742 30 20 CHED Cc1c(C(=O)N[C@@H]2C[C@H]2C(C)C)sc2ccc(C#N)cc12 458100576 GVIRDQQQKXJOCL-GXTWGEPZSA-N 298.411 3.856 30 20 CHED N#C[C@H]1CC[C@H](NC2(Cc3cccc(Cl)c3)CC2)C1 453364168 LRGJNZKJRSYPNO-ZFWWWQNUSA-N 274.795 3.697 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2c(F)cncc2F)CCCC1 451749973 SKXSMASKZITGIR-NSHDSACASA-N 294.345 3.674 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cnc(C)s1 362412399 SHDUTVHUTYMDAY-UHFFFAOYSA-N 290.413 3.982 30 20 CHED C=CCC1(NC(=O)NCc2ccc(C#N)cc2)CCCCC1 457654410 IRYNFUDGAZCCAL-UHFFFAOYSA-N 297.402 3.636 30 20 CHED C[C@H](CC1CCCCC1)C(=O)NCC(C)(C)CC#N 457990852 IABYMEDRNBLZCU-CYBMUJFWSA-N 264.413 3.649 30 20 CHED C=C(CC)CNC(=O)c1sc(-c2ccccc2)nc1C 456828734 NEGJXHYWLIOXIM-UHFFFAOYSA-N 286.400 3.815 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1cccc(C#N)c1C 450172037 JXYMPDHCXOSYJD-GXTWGEPZSA-N 256.349 3.632 30 20 CHED Cc1c(NC(=O)CC(C)(C)C#N)cccc1C(F)(F)F 278292124 AEBRHTQDCQVDPT-UHFFFAOYSA-N 284.281 3.892 30 20 CHED N#C[C@@H]1CC[C@H](N2CC[C@H](CSc3ccccc3)C2)C1 278704246 TWXHJVIBQALDEJ-PMPSAXMXSA-N 286.444 3.793 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 458306638 TZFVBRUEZYQAMM-WCXIOVBPSA-N 269.388 3.651 30 20 CHED C=CCN(C(=O)Nc1cccc(C(F)F)c1)C1CC1 271498869 IXCRXFRTWYRSNT-UHFFFAOYSA-N 266.291 3.807 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC(c2cccc(Cl)c2)C1 458725020 FONGQQJAAMKLTG-OAHLLOKOSA-N 292.810 3.804 30 20 CHED C=CCOCCCN1CCC[C@@H]1c1ccc(F)cc1F 451969830 KZLSBXIULYYIHG-MRXNPFEDSA-N 281.346 3.694 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc(C#N)s1 546865808 FMXAGRRPUFRQAY-GFCCVEGCSA-N 284.384 3.728 30 20 CHED C=CCC[C@@H](NCCc1cccnc1)c1ccco1 279141871 ZGWOPRYEARFLQD-OAHLLOKOSA-N 256.349 3.514 30 20 CHED C=CCCC(C)(C)NC(=O)c1csc(-c2ccoc2)n1 620858302 DLXHHSHTRDIFBE-UHFFFAOYSA-N 290.388 3.878 30 20 CHED CC[C@@H](N[C@H](C)Cc1c(C)noc1C)c1ccc(C#N)cc1 278835110 ULNJWQMSMGKRLX-KZULUSFZSA-N 297.402 3.835 30 20 CHED C=C(CC)CNC(=O)N(CC)[C@H](C)c1cccc(OC)c1 459071558 HLAQLUZPNYABSA-CQSZACIVSA-N 290.407 3.754 30 20 CHED C=C(C)CCNC(=O)CCCc1ccc(Cl)cc1 452727161 XOHFIEONAZDSNV-UHFFFAOYSA-N 265.784 3.745 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1nc2ccccn2c1C#N 541115288 OMMLFOSHHNXRCB-OAHLLOKOSA-N 288.354 3.614 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(C)nn(C)c3c2)CCCC1 451876674 BKGLEZIYDOCKJT-UHFFFAOYSA-N 297.402 3.957 30 20 CHED C#CC[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1 274988268 AREIPACKMHKRNK-RDJZCZTQSA-N 267.372 3.614 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCNc1ccccc1C 540527930 CJEBMDLBDPJCJJ-OAHLLOKOSA-N 274.408 3.658 30 20 CHED C[C@@H](c1ccco1)N(C(=O)c1ccc(CC#N)cc1)C1CC1 270303576 SKJBMHGBCPHLBI-ZDUSSCGKSA-N 294.354 3.711 30 20 CHED C=CCN(C(=O)c1ccccc1SC(C)C)C1CC1 273229386 FLKVZPZRNAYITB-UHFFFAOYSA-N 275.417 3.978 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 467359312 RQXZNWKMGIJHHP-QZTJIDSGSA-N 299.414 3.649 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](c1ccc(OC)nc1)C1CC1 624346775 YZFYTXPKDCSIBN-DCGLDWPTSA-N 274.408 3.732 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@H]1c1ccccc1 289625517 KCDHIKAGLXFMHG-INIZCTEOSA-N 294.402 3.683 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 465284334 IZWZHVXWRHWOMX-SMDDNHRTSA-N 278.371 3.787 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CC)C(C)(C)c1ccccc1 465288578 ZAWHGHDEVBJBHD-ZFWWWQNUSA-N 274.408 3.617 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H](C(C)(C)C)CC1 460811110 UQWBRYVTIOYKSS-HNNXBMFYSA-N 290.455 3.815 30 20 CHED C=CCN(C(=O)[C@H](C)c1cccc(C)c1)C(C)(C)C 622944113 FGWITQZSMLCPFW-CQSZACIVSA-N 259.393 3.912 30 20 CHED CCCC[C@@H](C(=O)NCC#Cc1ccccc1)C(C)C 621376101 QOCBZSRDSAQEGD-QGZVFWFLSA-N 271.404 3.617 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1c1ccc(C)cc1 468474438 FWSCJLCLBQZSIO-BRWVUGGUSA-N 256.393 3.913 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Cl)c2cccnc12 559969261 WUOTXFWJCYSGTF-UHFFFAOYSA-N 287.750 3.767 30 20 CHED C[C@@H]1CC(c2noc(-c3ccnc(C#N)c3)n2)C[C@@H](C)C1 289522989 CIHQPDDYXRDDKK-QWRGUYRKSA-N 282.347 3.543 30 20 CHED N#Cc1ccnc(N2CCc3c(Cl)cccc32)c1Cl 557606351 QMEXIABBIQQBQZ-UHFFFAOYSA-N 290.153 3.954 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1CC(C)C 466324340 FJUJJSMPEWDLPQ-ZIAGYGMSSA-N 252.402 3.561 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(SC)cc1 282338074 UWBFBPPCAHOFQF-RYUDHWBXSA-N 278.421 3.733 30 20 CHED N#Cc1cc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccn1 283780432 QEASWWYLGBMFDN-HZPDHXFCSA-N 299.761 3.549 30 20 CHED C=CCC(C)(C)c1noc(-c2noc3c2C[C@H](C)CC3)n1 551140975 XCUSCRMCBGXHKY-SNVBAGLBSA-N 287.363 3.703 30 20 CHED C=CCC(C)(C)c1noc(-c2cn3cc(C)nc3s2)n1 551137958 FZHCQDLOECLHRG-UHFFFAOYSA-N 288.376 3.608 30 20 CHED Cc1[nH]c2ccc(-c3noc(CC(C)(C)C#N)n3)cc2c1C 289046198 XEWMAHNWABAFOF-UHFFFAOYSA-N 294.358 3.927 30 20 CHED C=CCC[C@H](O)CN[C@H](Cc1ccccc1)c1ccccc1 472777563 YXEWPKDSHUZGAA-VQTJNVASSA-N 295.426 3.887 30 20 CHED C=CC1CCN(C(=O)C/C=C\Cc2ccccc2)CC1 635548400 QLQGPVJKMJONEH-SREVYHEPSA-N 269.388 3.600 30 20 CHED COc1cccc(/C=N\[C@H](C)c2ccsc2)c1O 800790983 XZQVEEPDXQAWNR-IIBSKXHVSA-N 261.346 3.642 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(C)c(C)cc1Cl 296256924 WKOGCCJFEKAVBZ-GFCCVEGCSA-N 281.783 3.877 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)c2ccccc21 474084832 SUTIBZYVDCSAPI-ZDUSSCGKSA-N 258.365 3.676 30 20 CHED CC(C)(C#N)C(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 297805738 LGYPUYVEKNJCHN-NSHDSACASA-N 296.292 3.619 30 20 CHED Cc1ncn(-c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)c1C 291235302 KTYYKRNQMVMECO-WBVHZDCISA-N 294.402 3.983 30 20 CHED CSC[C@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 292157057 CTOXONVSFKNDMX-ZDUSSCGKSA-N 297.427 3.686 30 20 CHED N#Cc1sc(N2Cc3cccc(Cl)c3C2)nc1Cl 808085741 RSUAZZQGOAJRKS-UHFFFAOYSA-N 296.182 3.842 30 20 CHED C=CC(C)(C)CNCc1cc2cc(Cl)cnc2o1 648733603 ZQXGPYRMNMXXTJ-UHFFFAOYSA-N 264.756 3.783 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1ccc(C#N)s1)C2=O 809155876 HEXSXIQYMFLXHR-TWGQIWQCSA-N 299.326 3.590 30 20 CHED Cc1cccc(NN=Cc2ccc(-c3cnn(C)c3)s2)c1 800804114 RRKHBNBHSANSHI-UHFFFAOYSA-N 296.399 3.903 30 20 CHED O=C(/C=C\c1cnccn1)c1cc(Cl)cc(Cl)c1 809156648 DGHDHMSLSBTQQZ-UPHRSURJSA-N 279.126 3.680 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 474044816 NWVXEUTYECFVPT-INIZCTEOSA-N 299.418 3.526 30 20 CHED C=CCN(CCCC1CCNCC1)Cc1cccs1 647872818 XUKRLJRCFZRBNF-UHFFFAOYSA-N 278.465 3.516 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 805348093 MWJPOQTXOJURAD-IEBWSBKVSA-N 298.430 3.552 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCC1(C)C 476253109 CUCLHVSZQGJOIH-ZDUSSCGKSA-N 256.349 3.632 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1[C@H](C)CCC[C@H]1C 477765991 OESBGEONQMDPPU-CHWSQXEVSA-N 285.391 3.813 30 20 CHED CC(C)(C#N)CC(=O)O[C@H]1CCc2cc(Cl)ccc21 803482298 SIUIVMNGRKCHHO-ZDUSSCGKSA-N 277.751 3.810 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c(C)o1 647371186 LYKABMORKIGGHA-GFCCVEGCSA-N 286.356 3.720 30 20 CHED CCCC[C@@H](CC)CNC(=O)NCC(C)(C)CCC#N 562180360 DOJMQNBHGHXFBB-CQSZACIVSA-N 281.444 3.832 30 20 CHED N#CCCN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 298610181 TUDNUXLCWQAEQB-MRXNPFEDSA-N 298.365 3.656 30 20 CHED CC#CCCNC(=O)CCCc1cccc(C(F)(F)F)c1 474188287 ILZRQUJCHJKPIW-UHFFFAOYSA-N 297.320 3.558 30 20 CHED C=CCC[C@@H](CC)NCC(F)(F)c1cccc(OC)n1 560581945 NHBOHJXEKLHKTC-GFCCVEGCSA-N 284.350 3.516 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(OC)c(F)c2)n1 560012847 LYRMPEDEYWARKW-UHFFFAOYSA-N 276.311 3.738 30 20 CHED Cc1cc(F)ccc1NC(=O)[C@@]1(C#N)CC12CCCC2 294231705 DJVWEARHHRNRHD-INIZCTEOSA-N 272.323 3.547 30 20 CHED C=CCC1(CN[C@@H]2CCO[C@H](CC)C2)CCCC1 648788852 AYPSJTYNUGDNQQ-HUUCEWRRSA-N 251.414 3.670 30 20 CHED CC#CC(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 801187234 GOYQHZQRADFYRI-UHFFFAOYSA-N 288.366 3.558 30 20 CHED CC(C)(C)C1CCC(CNC[C@H](C#N)CCC#N)CC1 563952704 QOJGGNPJXABNQV-PCKAHOCUSA-N 275.440 3.872 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(C3CC3)ccn2)cc1Cl 567157025 JUEUGWLSUDCSGI-UHFFFAOYSA-N 297.745 3.736 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cc(Cl)c(Cl)cc1F 806510097 ZXRMUQHZKYIUJO-ZETCQYMHSA-N 289.137 3.666 30 20 CHED CC(=NOC1CCCC1)[C@@H]1CCCN1C(=O)OC(C)(C)C 814894087 IYOKLXWZZKJXAV-AWEZNQCLSA-N 296.411 3.721 30 20 CHED CCCCCCCc1nc([C@@](C)(CC)OC)no1 810332743 BZZQKOHEIAPCQB-CQSZACIVSA-N 254.374 3.854 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)c1ccccc1 484092547 DBDLIZVJYXMGMY-WBVHZDCISA-N 257.377 3.888 30 20 CHED CCCCCC(C)=NNC(=S)NCCc1cccs1 818278952 DCTFBBPHTHQZEI-UHFFFAOYSA-N 297.493 3.711 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 819961423 QQLINYWMUHEAAZ-NSHDSACASA-N 277.320 3.801 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)[C@@H]1CCCOC1 814778834 AMKCRVZMWXYSHD-AWEZNQCLSA-N 290.366 3.917 30 20 CHED CCC(=NNc1ncnc2ccsc12)c1ccco1 814879172 PMNOYCWHJWRDCY-UHFFFAOYSA-N 272.333 3.511 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CCC[C@@H](OC)C1 814414257 UMEHWZPFAPFRGK-HUUCEWRRSA-N 269.429 3.668 30 20 CHED CC[C@@H](OC(=O)CCCC#N)C(=O)c1ccc(Cl)cc1 812617278 KKPIHDIQDGCOPD-CYBMUJFWSA-N 293.750 3.538 30 20 CHED C#CC[C@@H](NC(=O)N(CC)CC(C)(C)C)c1ccccc1 813120371 WQHLMYVNHUSWPE-MRXNPFEDSA-N 286.419 3.829 30 20 CHED CCCC[C@@H](CC)COC(=O)c1ncc(C#N)cc1C 815340694 LAGYLIBTYZGYOJ-CYBMUJFWSA-N 274.364 3.635 30 20 CHED CC(C)OCCON=Cc1ccc(N2CCCCC2)s1 812239978 FSKNBZCEWJHWHR-UHFFFAOYSA-N 296.436 3.514 30 20 CHED C=C(C)CN(C)Cc1ccc(OCc2ccccc2)nc1 653609209 COFPNAHCITUXAV-UHFFFAOYSA-N 282.387 3.669 30 20 CHED Cn1c([C@@H](C#N)C(=O)C(F)=C2CCCC2)nc2ccccc21 815897962 NMUKAWADWJHXLY-LBPRGKRZSA-N 297.333 3.547 30 20 CHED C=CCC(F)(F)C(=O)NCC[C@@H]1CCCC[C@H]1C 815616475 PMYMKJARHIHBQT-NEPJUHHUSA-N 259.340 3.530 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1OCC 488824732 XZZGCCJTVSHEHC-ZDUSSCGKSA-N 293.794 3.919 30 20 CHED Cc1cnccc1CN(Cc1ccc(C#N)cc1)CC(C)C 578713843 ZMFJELLKKDBZCA-UHFFFAOYSA-N 293.414 3.920 30 20 CHED Oc1ccc(C=NNCCCc2ccccc2)cc1Cl 729146194 OVZNHVDXIXRTQA-UHFFFAOYSA-N 288.778 3.602 30 20 CHED CCOC1CC(=NNc2cccc(C(F)(F)F)c2)C1 814690137 VPUNHLGXAQMEJE-UHFFFAOYSA-N 272.270 3.672 30 20 CHED N#Cc1ccc(NN=C2CCCOc3ccccc32)cc1 728425738 MINFXJYJOGQNMO-UHFFFAOYSA-N 277.327 3.547 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2cnc3ccccc3n2)o1 727256192 LUSODFFDPHJGHJ-DGCLKSJQSA-N 292.342 3.792 30 20 CHED O=C(/C=C/C=C/c1ccccc1)c1ccc(O)c(F)c1 728439169 WENJNJIGLUGBRR-KBXRYBNXSA-N 268.287 3.984 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cnn(C)c1Cl 822677986 SEGMINNPPHUXPR-GFCCVEGCSA-N 299.846 3.800 30 20 CHED C[C@H]1CN(c2c(C#N)nnc3ccccc23)c2ccccc21 571574613 WDSPSFKOPSBRLU-LBPRGKRZSA-N 286.338 3.757 30 20 CHED CCN(C(=O)c1ccc(C#N)[nH]1)c1cccc2ccccc12 578287848 JMOWOZSHBZWGTM-UHFFFAOYSA-N 289.338 3.706 30 20 CHED C=C(CC)COc1cc(CCC(C)=O)ccc1OC 492604359 DTABPQBBRSTOIX-UHFFFAOYSA-N 262.349 3.562 30 20 CHED CC1=C(C)C[C@H](C(=O)OCc2cccc(C#N)c2)CC1 829793734 KRAGBWHNEDBYQH-MRXNPFEDSA-N 269.344 3.738 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)CC2 589570949 FZTSBONTKOHEBV-INIZCTEOSA-N 293.326 3.874 30 20 CHED C=CCOc1ccc(C(=O)NC2(C)CCCCC2)cc1 490188889 XYGNYBBFFUCPRV-UHFFFAOYSA-N 273.376 3.704 30 20 CHED C#CC[C@H](Nc1nc(C(C)=O)c(C)s1)c1ccccc1 827821583 RYEDQVZRHPNZEI-AWEZNQCLSA-N 284.384 3.831 30 20 CHED C=CCOc1ccc(OCc2ccc(C(=O)O)cc2)cc1 825698489 IQWOHQIMIPAGES-UHFFFAOYSA-N 284.311 3.529 30 20 CHED Cc1cccc(C)c1OCCSc1ccc(C#N)cn1 498156256 NCDLBGOTVBAMAP-UHFFFAOYSA-N 284.384 3.741 30 20 CHED Cc1ccc([C@H]2[C@@H](C)CCCN2c2ccnc(C#N)n2)cc1 582676197 DXTRETHUUSSUMN-KBXCAEBGSA-N 292.386 3.634 30 20 CHED CC1(C)c2ccccc2CCN1C(=O)CCCCCC#N 588665950 HFMXDLGAMUXZAQ-UHFFFAOYSA-N 284.403 3.780 30 20 CHED C=C[C@@H](CC)Cc1nc([C@H](OCC)c2ccccc2)no1 904064853 WPFDCWUOWXUBHC-XJKSGUPXSA-N 286.375 3.950 30 20 CHED CC(C)(C#N)COC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 835284324 GMWRTTVYCBOANK-HUUCEWRRSA-N 271.360 3.663 30 20 CHED N#CCc1ccccc1C(=O)OCCCCC1(C#N)CCC1 908825183 FOJPDYBDDOCFNT-UHFFFAOYSA-N 296.370 3.774 30 20 CHED C=CCC(C)(C)c1nc(CCCCSC)no1 903781004 KEQAKEWYWLHTEH-UHFFFAOYSA-N 254.399 3.609 30 20 CHED C=CCNC(=S)N[C@@H](C)c1cccc(Cl)c1Cl 735423175 MPVGMRFPSBDVBY-QMMMGPOBSA-N 289.231 3.705 30 20 CHED CCc1cc(NC(=O)N2CCC(CC#N)CC2)ccc1F 588305738 PXSCAWPBXPPXJN-UHFFFAOYSA-N 289.354 3.546 30 20 CHED Cc1cc(C(F)(F)F)ccc1/C=C\C(=O)c1ccnn1C 588594944 HNJUOLINNJXUDP-XQRVVYSFSA-N 294.276 3.643 30 20 CHED C=C(C)CN(CC)C(=S)NC[C@@H](CC)CCCC 730592588 VGGCGQCKNWKXFN-AWEZNQCLSA-N 270.486 3.975 30 20 CHED Cc1ccc(-c2csc(NC(=O)C#CC3CC3)n2)cc1C 837362143 YESHFAPIEVRFSS-UHFFFAOYSA-N 296.395 3.779 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C)C1 670209033 CRBQBGUKJCIXNI-OAHLLOKOSA-N 296.418 3.758 30 20 CHED C#CCCOC(=O)c1c(F)ccc(SCC2CC2)c1F 838147856 DTRNCRVXQKJNPU-UHFFFAOYSA-N 296.338 3.647 30 20 CHED N#CCCCCCC(=O)N(Cc1ccccc1F)C1CC1 588256388 GEMRQKJXQABTLS-UHFFFAOYSA-N 288.366 3.791 30 20 CHED COc1ccc2c(c1)C[C@@H](C)N(C(=O)C#CC(C)(C)C)[C@H]2C 837521569 CXXDFHYEMZRQLX-KGLIPLIRSA-N 299.414 3.579 30 20 CHED C=CCC(F)(F)C(=O)NCC1(c2ccc(C)cc2C)CC1 833389350 NUFXESSTLGAUJO-UHFFFAOYSA-N 293.357 3.663 30 20 CHED COc1cccc(/C=C\C(=O)c2occc2C)c1F 588619250 UUKZRMGYXCWSKT-SREVYHEPSA-N 260.264 3.632 30 20 CHED CC(C)c1ncsc1C(=O)O[C@@H](C#N)C1CCCCC1 838054617 OCLCGHFUQFZTLO-LBPRGKRZSA-N 292.404 3.896 30 20 CHED C[C@@H]1C[C@@H]1[C@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 837440125 VXDRNOCEVAYPEM-XQAQDONZSA-N 287.790 3.567 30 20 CHED Cc1cc(C)c(NN=C2CCCc3nc(N)ccc32)c(C)c1 834960687 ZCGJVSNZHYHCRH-UHFFFAOYSA-N 294.402 3.742 30 20 CHED COCCCCCOc1ccc(C(F)(F)F)c(C#N)c1 589269139 KQVDLXUQKCGWHZ-UHFFFAOYSA-N 287.281 3.773 30 20 CHED C=CCCCCCCCNC(=O)C1(C)CCC(=O)CC1 832856967 USIGPFKXPNHTAY-UHFFFAOYSA-N 279.424 3.779 30 20 CHED C=CCC[C@H](C)OC(=O)C[C@@]1(C)CC1(Cl)Cl 835266688 BVWMURVEMLOUNL-ONGXEEELSA-N 265.180 3.858 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CCC)c1ccccn1 675154442 UTCNUOXSLONZTK-MRXNPFEDSA-N 272.392 3.807 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)C#CC1CC1 837332657 IKZSZZIZHXLEEN-UHFFFAOYSA-N 277.367 3.602 30 20 CHED COc1cccc(NC(=S)NN=C2CCC[C@@H](C)C2)c1 916298557 OQKCYFVVNQITHC-LLVKDONJSA-N 291.420 3.548 30 20 CHED C[C@@H]1SCC[C@H]1Nc1c(Cl)cccc1C#N 591998112 GVWGQAUQMPYFEO-GZMMTYOYSA-N 252.770 3.518 30 20 CHED N#CCCCCCC(=O)OCCc1ccc(Cl)cc1 835976009 PEIJDYUCRJTUOG-UHFFFAOYSA-N 279.767 3.900 30 20 CHED Cc1ccccc1CN(C)c1nc(C#N)c(Cl)s1 590569005 AWQYREYPUXNUDH-UHFFFAOYSA-N 277.780 3.613 30 20 CHED COCc1cccc(C=NNc2nccc3sccc23)c1 743438687 OXOXAMGYMRGSRQ-UHFFFAOYSA-N 297.383 3.889 30 20 CHED Cc1nc(C=NNc2ncc(Cl)cc2Cl)cs1 916316918 PKDFNYZCIICNSY-UHFFFAOYSA-N 287.175 3.599 30 20 CHED Cc1cc([C@H](C)NCCc2ccc(C#N)cc2)cs1 595055507 GCOQPQKLVPZBAI-ZDUSSCGKSA-N 270.401 3.822 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)C[C@H](C)CC)c1 743083922 GFRXUXFXBNDYGA-CHWSQXEVSA-N 258.365 3.614 30 20 CHED CCCCCCCCCN(C)c1ncnc2c1cnn2C 918735702 NZYRKSWNGWYURW-UHFFFAOYSA-N 289.427 3.550 30 20 CHED CCCCCCCCOCC(=O)N[C@H]1CCC[C@H]1C 741559233 IEKARRFQAXOFKQ-CABCVRRESA-N 269.429 3.668 30 20 CHED CCN(CC)C(=S)S[C@H](C#N)Cc1ccc(C)cc1 917706277 GPSWZIOQTKOBCU-AWEZNQCLSA-N 292.473 3.790 30 20 CHED C=C1CCN(c2nnc(CC(C)(C)C)n2CC(C)C)CC1 670274822 QKVGXXPWBPMUIL-UHFFFAOYSA-N 290.455 3.679 30 20 CHED C=C(Br)CN(C)c1cccc(C)c1C 919647742 BSXXMNUABXKPPU-UHFFFAOYSA-N 254.171 3.648 30 20 CHED CCOc1ccc(/C=N\CC(C)(C)c2cccnc2)c(O)c1 840712787 LPNJHEASSHZYTP-JAIQZWGSSA-N 298.386 3.583 30 20 CHED CCCCCCCC(=O)Nc1cccc(C(=O)NC)c1C 915088483 CZVGWNSGKSKCMA-UHFFFAOYSA-N 290.407 3.654 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1ccc(C#N)cc1C)CCO2 846753968 XISASOPDXJSNCN-KRWDZBQOSA-N 294.354 3.811 30 20 CHED Cc1ccc(C=NNC(=S)Nc2ccccc2)cc1C 915943298 YPVPDWQAEVMVCM-UHFFFAOYSA-N 283.400 3.624 30 20 CHED CCCC(=NNCCC(F)(F)F)[C@H]1CC1(C)C 841636044 KBMPWXNBJXPLHR-SECBINFHSA-N 250.308 3.731 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)c2cc(C#N)c[nH]2)c(C)c1 846300030 ZJKVVQWCURQHDK-UHFFFAOYSA-N 295.386 3.806 30 20 CHED C=CCCCCOC(=O)c1cnccc1C(F)(F)F 847712104 SSGDHUDTGQBHRF-UHFFFAOYSA-N 273.254 3.614 30 20 CHED Clc1cncc(NN=C2CC[C@H]3CCCC[C@@H]3C2)n1 914556970 JUJCQAFSAYEUGU-GHMZBOCLSA-N 278.787 3.888 30 20 CHED Cc1ccc([C@H](C)C(=O)[C@@H](C#N)c2nc3ccccc3o2)o1 744039003 GPPYWBSZZZHNTL-NWDGAFQWSA-N 294.310 3.709 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1sccc1-c1ccccc1 594099981 BBJOIZWPXGMCNX-CYBMUJFWSA-N 284.384 3.789 30 20 CHED C=CCN(C(=O)NCC[C@H](OCC)C1CCCC1)C(C)C 747591525 CEKBMPHZQBSZAH-INIZCTEOSA-N 296.455 3.578 30 20 CHED CCCc1sc(C(=O)N(C)[C@@H](C#N)CC)cc1CC 594097233 HGWBNIYOGVRBHZ-GFCCVEGCSA-N 278.421 3.637 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)c1c(F)cc(C#N)cc1F 598888770 PXBYZHNKVCEEAL-CMPLNLGQSA-N 292.329 3.630 30 20 CHED CCOCCN(CCCCC#N)[C@@H]1CCc2ccccc21 599625177 GNDFVWVDBASAJX-GOSISDBHSA-N 286.419 3.706 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1cccc(COC)c1 749514796 LSOLYQCBTGCNDY-UHFFFAOYSA-N 297.373 3.608 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)[C@@H]1[C@H]3CCCCCC[C@H]31)CC2 597444527 HYZHEYBGAFWXGH-VQFNDLOPSA-N 294.398 3.664 30 20 CHED C=CC[C@H](NCc1cccc2c1CCC2)c1ccncc1 845942117 QKUWCKYMNVEZAM-IBGZPJMESA-N 278.399 3.977 30 20 CHED Cc1ccc(C=NNc2ccc(Br)cc2)o1 912822094 JFXSZMAVKIMERI-UHFFFAOYSA-N 279.137 3.797 30 20 CHED C[C@@H](OC(=O)C[C@@H](C)C1CC1)c1ccc(C#N)cc1 748676856 DKNMALJCBAZGSU-VXGBXAGGSA-N 257.333 3.599 30 20 CHED Cn1ncc(C2CC2)c1/C=C/C(=O)c1cccc(Cl)c1 849241922 QOBQJVMFEBXHOL-BQYQJAHWSA-N 286.762 3.847 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cccc3c2OCO3)c1 915985408 ULTRUGOFASGSJQ-CMDGGOBGSA-N 280.323 3.928 30 20 CHED C=C(C)CNC(=S)Nc1cc(OCC)ccc1Cl 840786632 DATOWWRNOPXTHW-UHFFFAOYSA-N 284.812 3.601 30 20 CHED CC(C)(C)O[C@@H]1C[C@@H](/N=C/c2ccccc2O)C12CCC2 849171578 AAMYVNQZJVCZCB-KIHYJURLSA-N 287.403 3.937 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CCC)c1ccccn1 591606431 YXTNMYVYHXCHGD-OAHLLOKOSA-N 275.396 3.530 30 20 CHED Fc1cc(-c2ncco2)ccc1CON=C1CCC1 842031548 WICJNMSBAMOCGP-UHFFFAOYSA-N 260.268 3.537 30 20 CHED C[C@H]1C[C@@H](NCCc2ccc(C#N)cc2)c2ccccc21 595055712 IALKGFOBIOXYPQ-IFXJQAMLSA-N 276.383 3.939 30 20 CHED C[C@H]1CC2(CCOCC2)CN1c1ccc(C#N)c(Cl)c1 591994007 SZNGKVKYNTYEIU-LBPRGKRZSA-N 290.794 3.607 30 20 CHED C=CCC1(C(=O)OCC2(CC#N)CC2)CCCCC1 849795333 BJENYJLUNCZNHE-UHFFFAOYSA-N 261.365 3.750 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccccc1O 920376252 GEKSPKLUXDTNHF-UHFFFAOYSA-N 262.259 3.507 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(C)cc1O 747061848 MXZYXGCNJHATSR-UHFFFAOYSA-N 299.330 3.753 30 20 CHED CCCN(C(=O)Nc1ccccc1O[C@@H](C)C#N)C(C)C 847164241 COQKAWGOHMRWHL-ZDUSSCGKSA-N 289.379 3.630 30 20 CHED CCCOc1ccc(NCc2ccc(C#N)o2)cc1F 858310306 IHSVRVOQHCOZLR-UHFFFAOYSA-N 274.295 3.691 30 20 CHED CCSc1ccccc1C(C)=NN=C(C)c1cnccn1 759666695 NWRGAUXKCCUFRC-UHFFFAOYSA-N 298.415 3.822 30 20 CHED C=CCCCCOC(=O)CCc1cccnc1Cl 850115097 AHDOGOJIAHNOJW-UHFFFAOYSA-N 267.756 3.567 30 20 CHED CC(CC1CCC1)=NNc1cncc(Br)c1 758122707 ONGLNPXBRMOCGX-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cc(F)ccc1O 920386019 NRWGZVLVTSYKAU-NSHDSACASA-N 272.323 3.606 30 20 CHED CSCCON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853341276 KUHCVJOWHXPRKA-ZJUUUORDSA-N 269.332 3.721 30 20 CHED C=CCCOCc1nc(Cc2cccc3ccccc23)no1 680680235 ZBIVUFGFRQOURT-UHFFFAOYSA-N 294.354 3.906 30 20 CHED C=CCN(C(=O)Nc1ccc2ccccc2c1)[C@@H](C)COC 854169078 IVOOAINUIKYCQS-AWEZNQCLSA-N 298.386 3.895 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 855549697 FMXCSDLUEHZDMV-GOSISDBHSA-N 299.414 3.969 30 20 CHED CSc1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)c(C)o1 851202737 LGKXRFYTLLQFJK-VIFPVBQESA-N 281.377 3.795 30 20 CHED C=CCC(C)(C)c1nc(Cc2cccnc2Cl)no1 924239101 UJEHHHDLZLPLLM-UHFFFAOYSA-N 277.755 3.563 30 20 CHED CC/C(=C\C(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(C)cc1 754391549 JXLAKQOOCJABFR-UKYUDJEDSA-N 284.403 3.843 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)co1 752890962 SHMYHUYFMXLPIC-ARJAWSKDSA-N 293.269 3.678 30 20 CHED CCOc1cc(Cl)ccc1NC(=O)C#Cc1ccccc1 759312586 HHTCZGVEHRXFAJ-UHFFFAOYSA-N 299.757 3.729 30 20 CHED COC(=O)c1cccc(NN=C2CC3(CCC3)C2)c1C 853398044 OEIQTNKMFOUFDC-UHFFFAOYSA-N 272.348 3.514 30 20 CHED N#C[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 928226676 PNXYUEAUAZWNHG-MRXNPFEDSA-N 292.382 3.535 30 20 CHED CN(C(=O)c1cc(Cl)cs1)c1cccc(C#N)c1 758161083 VEMCADPJKSZERA-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CC(C)(C(=O)OCc1ccccc1C#N)C1CCCC1 757837853 QRKGZYRZSDDDEE-UHFFFAOYSA-N 271.360 3.818 30 20 CHED C=CCC[C@@H](NCC1SCCS1)c1ccco1 850562720 WYFNBADQCHWFOL-LLVKDONJSA-N 269.435 3.683 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851204753 USWQKIQJAASXHB-JHJVBQTASA-N 251.370 3.684 30 20 CHED C[C@H]1C[C@H]1C=NNCc1ccc(Cl)cc1Cl 758373687 ZHXGOLXKTQGMMP-WPRPVWTQSA-N 257.164 3.725 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(F)cc2)C1 855439274 YQMRTVHIIYYWTB-HOCLYGCPSA-N 289.394 3.819 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1oc(SC)cc1C 853118938 RLFJKTAOWAOZSX-OAHLLOKOSA-N 298.404 3.696 30 20 CHED C#CCCCCNC(=O)Nc1cccc2ccsc12 752365395 PDBKDZTVCKBMIF-UHFFFAOYSA-N 272.373 3.826 30 20 CHED C=CC(C)(C)CCOC(=O)[C@@H]1CCO[C@H](CCC)C1 851299540 PVRLDCJYPFJYDN-ZIAGYGMSSA-N 268.397 3.727 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3cccc(C)n23)c(O)c1 757474716 DFYFZBXZAIWRBA-VQHVLOKHSA-N 292.338 3.553 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(OC)cc2O)c1 757473334 VXCAJBDRJHFHGR-YFHOEESVSA-N 298.338 3.696 30 20 CHED C=C(C)C[C@H](NCc1cccc(C2CCCC2)c1)C(=O)O 864530061 RLERRWLMSGJIJR-KRWDZBQOSA-N 287.403 3.853 30 20 CHED FC(F)(F)CON=Cc1cccc(C(F)(F)F)c1 764846672 NCLIFHNIPZSHJL-UHFFFAOYSA-N 271.160 3.618 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1Cl)c1cncs1 761475337 DNDUBOGVKXLSEC-HNQUOIGGSA-N 285.155 3.741 30 20 CHED C#C[C@@H](C)N(C)Cc1cc(C(F)(F)F)ccc1Cl 775184468 WIUJVRHTYIJTDN-SECBINFHSA-N 275.701 3.812 30 20 CHED C#CCCc1noc(C2(Cc3ccc(Cl)cc3)CC2)n1 761998803 HUJYZRBDFFIYID-UHFFFAOYSA-N 286.762 3.563 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(-c2ccccc2)n[nH]c1C 935447358 FKTVIVYQWCGOIV-ZDUSSCGKSA-N 283.375 3.926 30 20 CHED Clc1c[nH]ccc1=NN=C1CC[C@@H]1c1ccccc1 769794856 WRWVEHNVEHDMOG-GFCCVEGCSA-N 271.751 3.502 30 20 CHED C=CCN(CCc1ccccc1)Cc1c(O)cccc1OC 769111910 SJSOPDZDYNUMGX-UHFFFAOYSA-N 297.398 3.632 30 20 CHED C[C@H](OC(=O)C1Cc2ccccc2C1)c1ccc(C#N)cc1 763048852 BEQSULCGJGXHFH-ZDUSSCGKSA-N 291.350 3.577 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)Cc1ccsc1 860869899 LKMHJKWGVHEHLM-LLVKDONJSA-N 265.378 3.552 30 20 CHED C#Cc1cccc(N(C)C(=O)CO[C@H]2CCCC[C@H]2CC)c1 766381972 WAHFKRRDHNAOOV-AEFFLSMTSA-N 299.414 3.616 30 20 CHED CC1(C)C[C@@H](/N=C/c2ccc(O)c(O)c2O)c2ccccc21 769775381 WKGJAJPSJGKPQG-LEBHLANCSA-N 297.354 3.645 30 20 CHED C#CCOc1ccccc1-c1noc(/C(C)=C\CC)n1 761996017 PUZSSRZDPSLVKI-WQLSENKSSA-N 268.316 3.562 30 20 CHED CC1(C#N)CCC(=NNCCCOCc2ccccc2)CC1 863176415 QENWYRDMXWHNIM-UHFFFAOYSA-N 299.418 3.643 30 20 CHED C#Cc1cccc(NC(=O)N2CC(C)(C)CC(C)(C)C2)c1 767554133 BTLGBPVVZUTPPC-UHFFFAOYSA-N 284.403 3.958 30 20 CHED CC[C@@H](CC(=O)[C@H](C#N)c1ccncn1)c1ccc(C)cc1 760339092 IBFUBZZMWQYYNW-GOEBONIOSA-N 293.370 3.545 30 20 CHED CC1(C)CCCC1=NNc1cc(C#N)cc(Cl)n1 768380601 RMBXEXKTQORSRW-UHFFFAOYSA-N 262.744 3.585 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1nc2ccccc2n1CC 878684382 HJFDZGQZIBUIGG-CYBMUJFWSA-N 299.418 3.836 30 20 CHED Cc1ncsc1/C=C\C(=O)O[C@H](C)c1cccc(C#N)c1 777306569 GPKLGKDDUMVASH-ZHRWSRJISA-N 298.367 3.641 30 20 CHED CC(C)(C)c1ccc(COC(=O)c2c[nH]c(C#N)c2)cc1 779195753 AGGLERBIXOEELI-UHFFFAOYSA-N 282.343 3.541 30 20 CHED C#CCN(Cc1cc(F)ccc1O)[C@H]1CCc2ccccc21 778984981 OEXZQHYRCCNXSI-SFHVURJKSA-N 295.357 3.654 30 20 CHED C=C(C)CN(CC)Cc1cc(OC)c(OC)cc1SC 158990132 SQRCDMWCYJIZGZ-UHFFFAOYSA-N 295.448 3.824 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1 879851314 GUIVZWWVALZTMX-JKSUJKDBSA-N 287.403 3.660 30 20 CHED C=C(C)CN(C)C(=S)Nc1ccc(Cl)cc1 777918222 KJPRZVRKBFRISO-UHFFFAOYSA-N 254.786 3.545 30 20 CHED COc1cc(O)ccc1/C=C/C(=O)c1cc(F)cc(F)c1 1116249769 HTGCIOFXRPPBQC-HWKANZROSA-N 290.265 3.575 30 20 CHED N#Cc1cc(/C=C/C(=O)c2cccs2)ccc1F 770569609 QOWGQXIZJIVMPZ-GQCTYLIASA-N 257.289 3.655 30 20 CHED COc1cccc(NN=C(C)c2ccc(C)c(C)c2)n1 779817458 OGOMFQKLLQWEKN-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 1116780223 ZVDYJPCNZIMTFJ-UHFFFAOYSA-N 298.317 3.755 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2c[nH]c(C#N)c2)cc1 779212563 KUCLBSZHAFLYOZ-IAGOWNOFSA-N 294.354 3.688 30 20 CHED CCc1ccc(NC(=O)Cc2ccccc2CC#N)cc1C 776988068 VDQXCYGEEJYMJB-UHFFFAOYSA-N 292.382 3.805 30 20 CHED Cc1ccc(F)c(-c2nnc(-c3cccc(C#N)c3)o2)c1 1117232025 SHCWSZMHSALFOK-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CC(C)c1nccnc1NN=C1CCc2c(F)cccc21 773087168 YFVUAHFOFNHTTI-UHFFFAOYSA-N 284.338 3.502 30 20 CHED Cc1cc(CN(C)CCc2ccccc2F)ccc1C#N 774853004 MEECAGMZLNDHIW-UHFFFAOYSA-N 282.362 3.680 30 20 CHED C#CCCCCCC(=O)N(CC=C)Cc1ccc(OC)cc1 779856160 ZWIHWDFVKJUADD-UHFFFAOYSA-N 299.414 3.794 30 20 CHED Cc1nc(-c2cccc(C(=O)OCC3(C#N)CC3)c2)cs1 775862571 HDBUOHJDPMAJBN-UHFFFAOYSA-N 298.367 3.579 30 20 CHED COc1ccc(CCC=Nn2cnc3ccccc32)c(C)c1 777431044 VDZQSWZPIHLIOA-UHFFFAOYSA-N 293.370 3.820 30 20 CHED Cc1cc(Cl)cc(C)c1/C=C/C(=O)c1cnn(C)c1C 778519509 RQLMAPKTRZEVSM-AATRIKPKSA-N 288.778 3.895 30 20 CHED C=CCCCCNC(=O)/C=C\c1nc2ccccc2s1 770080919 ABMXQQQQAMRNMH-KHPPLWFESA-N 286.400 3.782 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1ccc(C(=O)O)cc1 773180667 PSABMQQXMBTTTO-WFASDCNBSA-N 272.348 3.775 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCOC[C@H]1C#N 775488004 LJTUWEAGOLYGKX-HZPDHXFCSA-N 294.439 3.514 30 20 CHED C(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1cnc(C2CCC2)s1 774608624 RVTMFQBIVSWOSB-VHRBIJSZSA-N 275.421 3.523 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 76070285 UHOKBXOYOOGRQS-HOTGVXAUSA-N 274.433 3.664 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1ccc(F)cn1 770590809 SLRHICVNKRKPNM-UHFFFAOYSA-N 263.703 3.710 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC(C)(C)C1CCCCC1 1125830112 QLZUOCJESSGDPT-UHFFFAOYSA-N 284.403 3.955 30 20 CHED C=C(C)Cn1c(N2CC[C@H](C)[C@H]2CC)nnc1C(C)(F)F 1122430164 OXERHIGRKWOVGG-NWDGAFQWSA-N 298.381 3.591 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1sccc1C#N 1127050553 OTJJOUBZJYYLEN-LBPRGKRZSA-N 278.421 3.956 30 20 CHED C[C@H]1CC[C@@H](NCc2ccc(C#N)cn2)c2ccccc21 783294172 MRXZBBFLXDYJKS-SCLBCKFNSA-N 277.371 3.681 30 20 CHED C#CCC1(C(=O)N[C@@H]2CC23CCCCC3)CCCCC1 788236839 AOALNNJIERCGPS-OAHLLOKOSA-N 273.420 3.799 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc(OC(F)F)cc1 781131608 AGLFMQIBXXHZQV-UHFFFAOYSA-N 295.264 3.658 30 20 CHED Oc1ccccc1/C=N/CCc1ccccc1OC(F)F 788285308 DYKUYWMVPOTKPZ-YBFXNURJSA-N 291.297 3.655 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@@H](C)[C@@H]2C)o1 781123626 YSFPMTFYPTZPJY-MNOVXSKESA-N 274.368 3.894 30 20 CHED O=C(/C=C\c1cnc(-c2ccco2)s1)c1cccnc1 789126187 CUNGBAYBGPZLPE-WAYWQWQTSA-N 282.324 3.694 30 20 CHED CC(C)(C#N)CC(=O)OCC1CCC(C(F)(F)F)CC1 785096386 DJTGHNZXFJHLFH-UHFFFAOYSA-N 291.313 3.838 30 20 CHED C=C1CC(c2noc([C@@H](C)OCCC(C)C)n2)C1 896882100 QLIWABDIIAMPAD-LLVKDONJSA-N 250.342 3.627 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 890030805 LLRJIXAOEOMEJH-AWEZNQCLSA-N 286.419 3.676 30 20 CHED N#Cc1nc(Nc2cnn(C3CCCC3)c2)sc1Cl 895886581 DYJHZYCYKCOLHL-UHFFFAOYSA-N 293.783 3.723 30 20 CHED C=CCCCCCC(C)=NNc1ncc(F)cn1 789033306 HFPANSXIDIZNPZ-UHFFFAOYSA-N 250.321 3.540 30 20 CHED N#Cc1c(Cl)nsc1N1CCCC2(CCCC2)C1 782420413 VWPBJSFRMLGLEK-UHFFFAOYSA-N 281.812 3.829 30 20 CHED COc1ccc2[nH]cc(C=NN[C@H]3CCCC3(C)C)c2c1 782287014 ITBIANNVECJKOR-INIZCTEOSA-N 285.391 3.679 30 20 CHED CCc1cnccc1C(C)=NN[C@H]1CCCC1(C)C 782290116 ZCUQKQOPUZDNJQ-HNNXBMFYSA-N 259.397 3.536 30 20 CHED C#CCCCOc1c(F)cc(Br)cc1C(C)=O 783925537 WQUCCMZUJQFGKG-UHFFFAOYSA-N 299.139 3.583 30 20 CHED C=CCCN(C)C(=S)Nc1cccc(Br)c1 786082457 GCSYUDUFARHIBG-UHFFFAOYSA-N 299.237 3.654 30 20 CHED C=C1CCN(Cc2ccc(F)cc2Br)CC1 513503430 QMPBEOFSYYLVNZ-UHFFFAOYSA-N 284.172 3.740 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C(=O)OC)cc1Cl 786610688 QYARARQFAJQXQO-HNNXBMFYSA-N 296.750 3.634 30 20 CHED Cc1nsc(NCCc2ccc(Cl)cc2)c1C#N 92912494 ONSZBTIOEGCRCY-UHFFFAOYSA-N 277.780 3.631 30 20 CHED Cc1nc(Cl)cc(Oc2ccc(C#N)cc2Cl)n1 301138634 BDOOICBRDGPFIY-UHFFFAOYSA-N 280.114 3.756 30 20 CHED CC(C)c1occc1C(=O)OCc1cc(F)ccc1C#N 796392821 AWFUHBQITPVXGM-UHFFFAOYSA-N 287.290 3.771 30 20 CHED N#Cc1cc(NCCCCF)ccc1OC(F)(F)F 795266566 TWSOSQQQPRRRIS-UHFFFAOYSA-N 276.233 3.618 30 20 CHED CSc1cc(O)ccc1NC(=O)c1ccc(C)c(C#N)c1 799729767 RJGVHRIJGVXRFZ-UHFFFAOYSA-N 298.367 3.547 30 20 CHED Cc1ccc2c(C(=O)O[C@H](C#N)C(C)C)csc2c1 796675652 PYNHBWGMNXPNGE-CYBMUJFWSA-N 273.357 3.915 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2CC=CCC2)s1 797570377 GKIOKBGBPSGPAN-RYUDHWBXSA-N 288.416 3.973 30 20 CHED C=CCC1(C(=O)OCc2c(F)cccc2[N+](=O)[O-])CCC1 791557769 HTMPOGYNAUANOF-UHFFFAOYSA-N 293.294 3.524 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](CC)c1ccc(Cl)s1 791067981 MUPQBLFMYBYDAA-GHMZBOCLSA-N 298.839 3.954 30 20 CHED CC[C@@H]1CCC[C@H](NCc2cccc(OCC#N)c2)C1 68590221 SVEHTPVPVLORPB-ZBFHGGJFSA-N 272.392 3.647 30 20 CHED C=CCCC(C)(C)NC(=O)c1nc(Cl)ccc1Cl 717674351 YPQUCSXJQLQJCF-UHFFFAOYSA-N 287.190 3.863 30 20 CHED N#CCN(C(=O)/C(F)=C\C1CCCCC1)C1CCCC1 798295175 XNVNXCWBAPRPBE-NTCAYCPXSA-N 278.371 3.715 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1C1CCCCC1 791070145 RQLDROPJBKPRHO-HZPDHXFCSA-N 276.424 3.543 30 20 CHED COCCCON=C(CC1CCC1)c1ccccc1 795051404 RYYOLPQZFCNTHB-UHFFFAOYSA-N 261.365 3.634 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 797026358 SXNGDONZROQMKR-SOUVJXGZSA-N 263.381 3.830 30 20 CHED C=CCCCCC[C@@H](C)Nc1ccc(CC(=O)NC)cc1 793545103 HBTJFNDHCBCUEF-OAHLLOKOSA-N 288.435 3.912 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)C(C)C 799046642 NFQPEVHYMVXRCG-QRVBRYPASA-N 291.394 3.717 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(C)C 799182362 PUDAMWYVYHAMHV-LLVKDONJSA-N 285.174 3.773 30 20 CHED C[C@@H]1CCC[C@@H](CNc2cccc(OCC#N)c2)C1 89607005 QEOQFEIUEAGNJQ-ZIAGYGMSSA-N 258.365 3.827 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](C)[C@H]1CO 785780165 XYQOLOUJACTYFW-JKSUJKDBSA-N 283.456 3.747 30 20 CHED N#Cc1ccc(Sc2cc(C3CC3)ncn2)c(F)c1 1162543922 GOPXMFFBFRNNGE-UHFFFAOYSA-N 271.320 3.516 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc2c(c1)CCC2 1319167382 MSSMZVVPQPTXBV-UHFFFAOYSA-N 289.382 3.970 30 20 CHED N#Cc1cccc2c1CCN2Cc1cccc2cccnc12 1171345132 VJNQHKPOAOZQCI-UHFFFAOYSA-N 285.350 3.669 30 20 CHED C/C=C(/C=C\c1nnc(-c2ccc(C#N)cc2)o1)CC 1326497533 RZHVQEPHQPXXPH-JYNPTCLGSA-N 265.316 3.978 30 20 CHED CC[C@H](CC(F)F)CN1CCCc2cc(C#N)ccc21 1170661662 NOOSZTJKNMIMGW-GFCCVEGCSA-N 278.346 3.992 30 20 CHED CC(C)(NC(=O)Cc1ccc(C#N)cc1)C1CCCCC1 1322412886 MTUNEVJSPWYEPB-UHFFFAOYSA-N 284.403 3.576 30 20 CHED C#CCCCCCC(=O)N[C@H](CC)CNc1ccccc1 1324772818 VFOHFIMUBMHERG-MRXNPFEDSA-N 286.419 3.577 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1327858288 KZUGWAKYRXZXIY-JYYAWHABSA-N 278.440 3.751 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](CC(C)C)c1ccccc1 1324661064 HCBDEUOAEUCFRQ-GOSISDBHSA-N 298.430 3.829 30 20 CHED CC(C)c1ncsc1C(=O)OCc1ccc(C#N)s1 1327720112 AAENKXVXWGPXDD-UHFFFAOYSA-N 292.385 3.557 30 20 CHED CC(C)(C)c1ccc(C(=O)OCc2ccc(C#N)cn2)cc1 1321158684 ZTKJQYFHBJDRIN-UHFFFAOYSA-N 294.354 3.608 30 20 CHED C[C@H](c1nnc(-c2cccc(C#N)c2)o1)c1cccs1 1257952250 ZYMLNZIAGWDCLL-JTQLQIEISA-N 281.340 3.822 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cc3ccccc3[nH]2)no1 1334354898 ASYYUQMVHNXSLI-WFASDCNBSA-N 295.342 3.667 30 20 CHED CCCC[C@H](CC)CC(=O)[C@H](C#N)c1nccn1CC 1347339563 YNCMJNSXGDACGW-KBPBESRZSA-N 275.396 3.686 30 20 CHED CN(Cc1cc2ccccc2o1)c1cccc(CC#N)n1 1342843203 OJJBQEMIBDJIFF-UHFFFAOYSA-N 277.327 3.530 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cc(C)c(OC)c(Cl)c1 1345428544 UWKZAONYJMGEOC-WCQYABFASA-N 283.799 3.509 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)O[C@H](C)C(C)(C)C#N 1343028794 ZUIWRCOIBVZICJ-WDEREUQCSA-N 295.379 3.788 30 20 CHED C=CCC1(CNC(=O)CC#Cc2ccccc2)CCCC1 1344887005 PBEVQCKBQWSXNE-UHFFFAOYSA-N 281.399 3.681 30 20 CHED CCCCCCCCCN(C)C(=O)C1(O)CCCC1 1346835682 IGUQIGAJJVJWRW-UHFFFAOYSA-N 269.429 3.501 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1 1507855602 YXYGVXWZFRZCMO-VXGBXAGGSA-N 296.846 3.636 30 20 CHED N#Cc1ccc2[nH]c(-c3cc4ccccc4o3)nc2c1 107793152 NOFXWCQXKDBEAA-UHFFFAOYSA-N 259.268 3.848 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)NCC1CCCCCC1 1449663667 WQXYJFYKDGMMNI-SFHVURJKSA-N 298.430 3.846 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)Cc1c[nH]c2cnccc12 1515515535 WYJWGQXULLJTRO-DYVFJYSZSA-N 298.386 3.784 30 20 CHED C[C@H](OC(=O)c1ccsc1C#N)c1nc2ccccc2o1 1520539356 UPFKGVBLXGZEMG-VIFPVBQESA-N 298.323 3.679 30 20 CHED N#Cc1cc(Cl)cc(OCC(=O)CCc2ccccc2)c1 1459124503 HDPHEWLYWMTIHZ-UHFFFAOYSA-N 299.757 3.792 30 20 CHED Cc1cc(C)c(CC(=O)O[C@@H]2CCC[C@H](C#N)C2)c(C)c1 1528081605 OWGVRVURPAMUPM-JKSUJKDBSA-N 285.387 3.780 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(c3ccccc3C)CC2)c1 1460862318 IGEQHLQFZKCERS-UHFFFAOYSA-N 290.366 3.845 30 20 CHED Cc1cc(-c2noc(-c3ccc(C#N)s3)n2)ccc1F 226760647 FVYGBGIKZYFJPC-UHFFFAOYSA-N 285.303 3.784 30 20 CHED N#Cc1cccc(N[C@H]2CCC[C@@H](CCCC(=O)O)C2)c1 1608218160 IJAKKFDOCGPDGS-ZFWWWQNUSA-N 286.375 3.784 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1cccc(C(C)C)c1 1535612516 LFPHKMUYAGRNFH-UHFFFAOYSA-N 294.354 3.943 30 20 CHED C=C(CC)C(=O)N1C[C@@H](C)C[C@H]1c1ccc(OC)cc1 1548671337 NIXOLGFGFKKHLA-LRDDRELGSA-N 273.376 3.571 30 20 CHED CCN(Cc1ccc(C)c(Br)c1)C[C@@H](C)C#N 120501647 ZHYDEHRFBHHDRK-NSHDSACASA-N 295.224 3.739 30 20 CHED Cc1nnc(SC[C@H]2CCCC[C@@H]2C)c(C#N)c1C 1559358150 ZPDLUBSKNPIHIL-GXFFZTMASA-N 275.421 3.884 30 20 CHED CCC(C)(C)c1ccc(Nc2cncc(C#N)n2)cc1 1642661433 SWIBMFFHTFYZPC-UHFFFAOYSA-N 266.348 3.779 30 20 CHED N#Cc1ccccc1Cn1nc(-c2ccccc2)nc1Cl 1656897791 KVQXIWNZGHPANZ-UHFFFAOYSA-N 294.745 3.518 30 20 CHED CCc1ccc(C)nc1NC(=O)[C@H](CC#N)c1ccccc1 1586107051 YKRFCPBCOZEGHI-MRXNPFEDSA-N 293.370 3.588 30 20 CHED C=CC(C)(C)CCOC(=O)C12CCC(C(=O)O)(CC1)CC2 1588677149 UGFOJELIUZXMCX-UHFFFAOYSA-N 294.391 3.557 30 20 CHED CCN(CCOc1cccc(C#N)c1)c1ccc(F)c(C)c1 1655527184 ATXBXHOMRTVAKC-UHFFFAOYSA-N 298.361 3.911 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1)c1ccc(C(=O)O)o1 1593664080 FZFMATQEDWWFDM-SECBINFHSA-N 273.313 3.703 30 20 CHED CCC(CC)(CC)CNC(=O)Nc1ccc(C#N)cc1 1666946729 WSAINVPKJJXZMM-UHFFFAOYSA-N 273.380 3.896 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2cc(C)sc2C)C1 1776160810 LVYPFSYDZIRILJ-INIZCTEOSA-N 293.432 3.608 30 20 CHED Cc1cccc2c1CC/C(=C\c1cc(C(=O)O)cs1)C2=O 1777457260 NFQOLNQUQVUABI-YRNVUSSQSA-N 298.363 3.967 30 20 CHED O=C(O)c1ccc(F)c(/C=C\C(=O)c2ccccc2F)c1 1776131138 INUVCLVRDVJLMF-VURMDHGXSA-N 288.249 3.559 30 20 CHED O=C(O)c1ccc(NN=CCCC2CCCCC2)cn1 1776070349 KTWWUBREQCQDJL-UHFFFAOYSA-N 275.352 3.538 30 20 CHED Cc1cc(NN=Cc2cccc(C(=O)O)c2)ccc1Cl 1776104567 NKOBJNBAIRFJLX-UHFFFAOYSA-N 288.734 3.793 30 20 CHED Cc1cc(C)c(NC(=O)COc2ccc(C#N)cc2)c(C)c1 5959465 HAUMNCJBTHVIFT-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C=CCN(C)C(=O)CCc1ccc(-c2ccccc2)o1 161349683 SJPFQBIQMYONAC-UHFFFAOYSA-N 269.344 3.524 30 20 CHED C=CCN(C)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 161396640 MLHDHTMYEYVRBG-OLZOCXBDSA-N 284.186 3.741 30 20 CHED CCCCCCCCCN1CC[C@@H](C)C[C@@H]1C(=O)O 160070066 GHEGFVHVKNUKOY-HUUCEWRRSA-N 269.429 3.922 30 20 CHED C[C@H]1OCC[C@H]1SCC#Cc1cccc(Cl)c1 163877799 UXTPHFTTXLOOQR-BXUZGUMPSA-N 266.793 3.602 30 20 CHED C=C(Cl)CNCc1cnc(-c2ccsc2)s1 166096836 LMXSWSLXOQPYKC-UHFFFAOYSA-N 270.810 3.714 30 20 CHED Cc1cc(Cl)ccc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 152248039 UNINJQUTTVFCGT-BDJLRTHQSA-N 290.794 3.851 30 20 CHED N#CCC[C@@H](NC(=O)c1cc(Cl)ccn1)c1ccccc1 153121633 FOMMTVRQOXZPSG-CQSZACIVSA-N 299.761 3.510 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1Cl 153524175 UMOMDLCFDILHHC-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C#CCCCCNC(=O)Nc1ccc(SC)c(Cl)c1 155014350 MYNHSOJSZSKZLO-UHFFFAOYSA-N 296.823 3.987 30 20 CHED CCCN(Cc1cccc(OCCCC#N)c1)CC1CC1 154681779 POCLVACQHBWGSM-UHFFFAOYSA-N 286.419 3.991 30 20 CHED CCCCCCCNCc1ccc(OC)c(F)c1 106255037 UOJLCBCTVXVBKC-UHFFFAOYSA-N 253.361 3.894 30 20 CHED C=C(Cl)COC(=O)c1ccc(Cl)cc1Cl 916610127 XDCLJKKMQAEUPL-UHFFFAOYSA-N 265.523 3.903 30 20 CHED CC[C@@H]1CCCCN1CCCOc1ccc(C#N)cc1 34674509 ACBIBWWWAHAJHK-MRXNPFEDSA-N 272.392 3.592 30 20 CHED COc1c(C)ccc(NCc2ccc(C#N)cc2)c1C 35252393 ZVTLUXMJSAJZEX-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C[C@@H](CCc1ccco1)Nc1cccc(OCC#N)c1 37069731 WNVAHMRTORUJRW-ZDUSSCGKSA-N 270.332 3.615 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCCCCC1 37333819 DLIMHVRMDFPTQR-UHFFFAOYSA-N 268.282 3.957 30 20 CHED COc1ccc(CNc2cc(C#N)ccc2C)cc1F 50428836 UNYBYEFULIFELR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCCC1CCN(Cc2ccc(C#N)cc2F)CC1 50893747 NBQTWHDAACXZQD-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=CCCCNC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 189949284 SKJPTEPPOXYESW-IRXDYDNUSA-N 286.463 3.699 30 20 CHED C#CCOc1ccc(NC(=O)c2ccccc2Cl)cc1 69200012 QOKBWOMVSDLWQN-UHFFFAOYSA-N 285.730 3.604 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccc(Cl)o1 809716168 LGPBGXHSQJARBU-UHFFFAOYSA-N 259.736 3.568 30 20 CHED CC(C)(C)c1csc(CN2CCC[C@@H](CC#N)C2)n1 397849434 RGRQBJISGXVYTF-LBPRGKRZSA-N 277.437 3.566 30 20 CHED CC(C)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 5638315 HROFVTYIJVBNRM-UHFFFAOYSA-N 264.328 3.934 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)[C@@H]1C 20055226 OPSVUENCWMRTAL-XHBSWPGZSA-N 260.356 3.612 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc(Cl)s2)n1 26727174 UYFAZXZEVZXUIN-UHFFFAOYSA-N 277.780 3.897 30 20 CHED N#Cc1cc(NCc2cccc(F)c2)ccc1Cl 35053523 QIFNOTIFZDXLIB-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC(C)Oc1ccc(CNCc2ccc(C#N)cc2)cc1 37748426 VJDQCSBDOKRHJJ-UHFFFAOYSA-N 280.371 3.635 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1C 40360149 FTFZTJBFTMAHKA-INIZCTEOSA-N 270.376 3.506 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 42566802 WARQTDAKLCHBCN-NEPJUHHUSA-N 296.292 3.865 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H](C)c1cccc2ccccc12 43236990 FPKHZLNAOCHPGM-ZIAGYGMSSA-N 295.386 3.702 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccc(Cl)cc1 44385599 LWMDCQDTTOXRJC-GFCCVEGCSA-N 290.794 3.991 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)[C@@H]2CCCC[C@H]12 49704771 GDPJOEHAKHTANH-ZTFGCOKTSA-N 296.414 3.793 30 20 CHED CCc1nc(/N=C(\O)c2sccc2C#N)sc1C 52031287 PNYAZGGASWJFJJ-UHFFFAOYSA-N 277.374 3.583 30 20 CHED N#Cc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1 56355590 JZHNHFKJXIHPGN-MRXNPFEDSA-N 283.375 3.745 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCCCCc1cccs1 67300988 DTSUNBOHWOGECM-ZDUSSCGKSA-N 278.421 3.612 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)[C@H](C)CC)c1 67319103 OKSZIPGWLMVMFI-CYBMUJFWSA-N 276.380 3.904 30 20 CHED Cc1cc(/C=C2\CCc3cc(O)ccc3C2=O)cc(C)c1O 72079827 LBQWAUOFKALHPC-OQLLNIDSSA-N 294.350 3.927 30 20 CHED CC(C)CCN(CCC#N)C[C@@H](O)c1cccc(Cl)c1 72691546 VDZAVFGVRQRBNL-MRXNPFEDSA-N 294.826 3.635 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC#N)cc1 76083503 NVLARVNGIWKRCJ-GOEBONIOSA-N 285.391 3.843 30 20 CHED C=CCCCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 76182522 GHIMDZAVDMIIRJ-RKDXNWHRSA-N 275.236 3.625 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2C2CCCCC2)nc1 76853442 ANZZECYMNCRSHP-OAHLLOKOSA-N 255.365 3.502 30 20 CHED N#Cc1cccnc1Nc1cc(Cl)c(N)c(Cl)c1 78379249 BMYMDUVJPYPIBH-UHFFFAOYSA-N 279.130 3.586 30 20 CHED CC(C)[C@H](C)SCC(=O)Nc1ccc(C#N)c(Cl)c1 79078649 NTHOSWKHCWJJLD-JTQLQIEISA-N 296.823 3.928 30 20 CHED COc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 79380319 INULRDHTIHAKKS-UHFFFAOYSA-N 298.367 3.563 30 20 CHED CN(CCSc1ccccc1)Cc1cccc(C#N)c1 79618414 NVKXKEKXVSJXTA-UHFFFAOYSA-N 282.412 3.782 30 20 CHED COc1ccc(CN[C@@H](C)[C@@H](C)c2ccccc2)cc1C#N 80248221 RNDNRVVQMPYBSR-CABCVRRESA-N 294.398 3.849 30 20 CHED C[C@H](SCC(=O)C(C)(C)C)c1ccc(C#N)cc1 83097606 CJYFRKVYIOYGTC-NSHDSACASA-N 261.390 3.968 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C#N)cs1 84116082 AGHVUOHTUMKJFP-WCQYABFASA-N 276.405 3.661 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 85491181 RGQRTKFZHGYXJX-INIZCTEOSA-N 285.387 3.607 30 20 CHED N#Cc1cccc(OC2CCN(C[C@@H]3CC=CCC3)CC2)c1 92034232 ZTMQNGWVEFKDCZ-MRXNPFEDSA-N 296.414 3.758 30 20 CHED C=CCCCCCN(C)C(=O)c1cn(C)nc1C(C)(C)C 92245249 YIBQXSUNLTZALZ-UHFFFAOYSA-N 291.439 3.536 30 20 CHED CN(CCc1cccs1)c1nc2ccccc2cc1C#N 93290907 QJCAGFWYNHEMDX-UHFFFAOYSA-N 293.395 3.847 30 20 CHED C#Cc1cccc(NCc2cc(Cl)ccc2[N+](=O)[O-])c1 93632349 CJFJJPMXWSKZQE-UHFFFAOYSA-N 286.718 3.842 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1OC 96766234 UGHJVFDKGIBIRI-WMZJFQQLSA-N 298.338 3.696 30 20 CHED C=C(C)CN(CCc1ccccn1)Cc1ccc(F)cc1 103481460 LMBZJYZYTFKGQO-UHFFFAOYSA-N 284.378 3.842 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc(F)c1F 104547537 HGWPYKOLPITIRA-UHFFFAOYSA-N 294.345 3.757 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 116860613 NHGZWTSZGZHJJJ-AAEUAGOBSA-N 285.309 3.803 30 20 CHED CC(C)(CCC#N)CNc1ccc2c(c1)OC(C)(C)O2 119357890 PCUQXYFACXOMGO-UHFFFAOYSA-N 274.364 3.936 30 20 CHED CN(CCc1cccc2ccccc12)C(=O)C1(C#N)CCC1 119778813 NVJREXDRQYYWCW-UHFFFAOYSA-N 292.382 3.535 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CCc1cccs1 121077560 ANEHLDPVUQDCGH-ZDUSSCGKSA-N 270.401 3.855 30 20 CHED COc1cc(C)cc(CNc2ccc(F)cc2C#N)c1 128063081 HUBKJFALBJOPQN-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC(C)c1ncc(C(=O)Nc2ccc(F)c(C#N)c2)s1 132606529 UPBCXFFZNQPVEP-UHFFFAOYSA-N 289.335 3.530 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)cc1 132745380 XFYJYXKYQHNZSW-ZDUSSCGKSA-N 291.391 3.784 30 20 CHED CC(C)(C#N)c1ccccc1Cn1cnc2ccccc21 133779012 FASFMCUGSPTAPE-UHFFFAOYSA-N 275.355 3.886 30 20 CHED CC1(C(=O)Nc2ccc(F)c(C#N)c2)CCCCC1 134167436 QTNYSVWHCPHJKD-UHFFFAOYSA-N 260.312 3.606 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 135116943 PYTSXPFKYASUAD-DUVNUKRYSA-N 293.432 3.639 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1C)c1ccccc1 135514788 WTOQBUSCTSIYEM-BZUAXINKSA-N 271.404 3.993 30 20 CHED C=CC[C@@H](C)NC(=O)c1cncc(-c2ccc(C)cc2)c1 135636656 JGCGUYDITUJFNZ-CQSZACIVSA-N 280.371 3.751 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1cncc(F)c1 150951142 OAXFVRKMMCXNFQ-GQCTYLIASA-N 278.286 3.665 30 20 CHED C[C@@H](OC(=O)C(C1CC1)C1CC1)c1ccc(C#N)cc1 153356725 WQUYMDREEVBGJN-LLVKDONJSA-N 269.344 3.599 30 20 CHED C=C[C@@H](C)NC(=O)Cc1cc2c(ccc3ccccc32)o1 154160037 PFGCSZIBNIJFNZ-GFCCVEGCSA-N 279.339 3.819 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N(CCC#N)CC(C)(C)C)C1 155266495 WILXNOPQFOOOQG-KGLIPLIRSA-N 264.413 3.601 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1nc(-c2ccccc2C)no1 155276593 YOZAXBCVVFEEKW-JSGCOSHPSA-N 298.390 3.588 30 20 CHED C=CCCCCCN(C)C(=O)c1cncc(OC(C)C)c1 155616214 OODXGEONXSIQGO-UHFFFAOYSA-N 290.407 3.687 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@H](CC)C1 155959584 YAFPOQOHZUJRJF-UONOGXRCSA-N 252.402 3.563 30 20 CHED N#CCC[C@H](C#N)CN1CC2(CCCC2)c2c(F)cccc21 162771221 ICTJYUIQFZSWRJ-CQSZACIVSA-N 297.377 3.901 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)NCCCCC#N)c1 170886312 NRNHDVGAFKZKDE-INIZCTEOSA-N 285.391 3.535 30 20 CHED CCCCCCCC(=O)Nc1ncccc1OC(F)F 171100916 FNJUAFRPGIKJNW-UHFFFAOYSA-N 286.322 3.982 30 20 CHED CC(=O)c1ccccc1OCCSc1cccc(C#N)c1 177358685 NGWFIDYITQIKRZ-UHFFFAOYSA-N 297.379 3.932 30 20 CHED Cc1nc(CSc2cccc(C#N)c2)sc1C 178256394 ZFAXZALCJOHBER-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C=C(C)CN(C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 181321208 VQTLLRCTGIRZHQ-LBPRGKRZSA-N 289.354 3.753 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](CC)c1nc(C)cs1 181423481 VLYCYBVEOOYFNC-DGCLKSJQSA-N 295.452 3.947 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)CCCC=C)c1 182865362 BZMZTUGALMIRMY-CYBMUJFWSA-N 256.349 3.534 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 184767816 FNYLPGGXDSLSQM-VOTSOKGWSA-N 289.312 3.561 30 20 CHED CC#CCCCC(=O)N[C@@H](CCC)c1ccccc1 184991355 XVPITCJVHJAPTP-INIZCTEOSA-N 257.377 3.838 30 20 CHED Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1N(C)C 185739949 MLPRAZWPEWPPCQ-ZIAGYGMSSA-N 257.381 3.555 30 20 CHED Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1C(=O)NC(C)C 185746935 IMXXMOGVCDGVLD-LSDHHAIUSA-N 299.418 3.628 30 20 CHED C=C(C)[C@@H](NC(=O)/C=C/C=C/C)c1ccc(F)c(F)c1 186063047 ABTQKBCSRBHTRM-YNEWZVRMSA-N 277.314 3.831 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](CC)CSc1ccccc1 186087255 IWRARJLVLTWSCN-CQSZACIVSA-N 289.444 3.723 30 20 CHED C#CCSCCN[C@@H](CCC)c1ccsc1 187788550 JHHYXECOZTYSCQ-ZDUSSCGKSA-N 253.436 3.545 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 188434098 LOFBMENBKJYKMN-QAPCUYQASA-N 289.394 3.819 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)nc(Cl)c1 189904818 MVEOWKPECOOQEC-UHFFFAOYSA-N 293.798 3.588 30 20 CHED COC(=O)[C@@H](Sc1ccccc1C#N)c1ccccc1C 190242262 WUVAGWNGADGWBZ-INIZCTEOSA-N 297.379 3.873 30 20 CHED CC(C)CCOC1CCN(Cc2ccc(C#N)cc2)CC1 193110007 HIVSPJJVNNLONV-UHFFFAOYSA-N 286.419 3.585 30 20 CHED C[C@@H](NCCCN(C)C1CCCCC1)c1cccc(C#N)c1 193435724 OWMIFJXMKOPSIS-MRXNPFEDSA-N 299.462 3.863 30 20 CHED Cc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)cc1Cl 194159327 UPYFHVYAXOTXON-BQYQJAHWSA-N 288.778 3.895 30 20 CHED N#CCCN(Cc1cccnc1)Cc1sccc1Cl 194301478 UXTHBMCGHOIQHX-UHFFFAOYSA-N 291.807 3.712 30 20 CHED CCOc1cccc(CNc2nccc(C#N)c2Cl)c1 233797260 MEJNWPQOXAEEMK-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CSC1(CNCc2ccc(C#N)s2)CCCCC1 235272105 DSHZIRDMTYLXGA-UHFFFAOYSA-N 280.462 3.775 30 20 CHED C[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 246870375 WAUJYGUDKXSFST-OXHMUOHRSA-N 297.185 3.515 30 20 CHED COc1cccc(C=Nc2cc(C)cc(C)c2)c1O 252461202 LFJUAEXQVJSJGX-UHFFFAOYSA-N 255.317 3.768 30 20 CHED O=C(/C=C\c1ccccc1)c1c(Cl)nc2sccn12 254943869 ZCVZKJXKKJJCIQ-SREVYHEPSA-N 288.759 3.945 30 20 CHED Cc1ccc(/C=C\C(=O)c2cncc(F)c2)c(C)c1 255094698 UEPRBYSLAPIQKK-WAYWQWQTSA-N 255.292 3.734 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc3ccccc3c2O)cn1 255500395 NJGBFMFRIIOXSW-YFHOEESVSA-N 292.338 3.658 30 20 CHED CC(C)Oc1ccc(N=Cc2ccccc2O)cc1 255551783 NZVFMGYERWHCAF-UHFFFAOYSA-N 255.317 3.930 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3ccccn23)c(C)c1 255629220 SIHYZRMOYKVRKC-CLFYSBASSA-N 276.339 3.847 30 20 CHED C=C1CCN(C(=O)CCC(=O)c2cc(C)sc2C)CC1 264054274 ADRRFZDUEDMESF-UHFFFAOYSA-N 291.416 3.506 30 20 CHED C=C1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1 264514529 TWSPQELMRUXTGC-UHFFFAOYSA-N 255.317 3.533 30 20 CHED C=CCC[C@H](NC(=O)C1SCCS1)c1ccccc1 270867722 NWDIYIGQJPFRNR-ZDUSSCGKSA-N 293.457 3.616 30 20 CHED C=CCN(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C1CC1 271384240 IVYKDOTXQYXIKH-UHFFFAOYSA-N 299.374 3.528 30 20 CHED C=CCN(C(=O)NCc1cccc2ccccc12)C1CC1 271557661 NKZYXVZZKKISHZ-UHFFFAOYSA-N 280.371 3.700 30 20 CHED C=CCC(CC=C)C(=O)NCCCCCCSC 273337074 MWSZSBPNWJFEDR-UHFFFAOYSA-N 269.454 3.794 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC2(CCCCC2)C1 273626904 AUHWQXRUXLIQER-UHFFFAOYSA-N 283.375 3.665 30 20 CHED COc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 275321864 TWQIAQMUWDJKTO-CQSZACIVSA-N 280.371 3.760 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(O)cc1CC 276951997 SJASDSHGGLOHNV-UHFFFAOYSA-N 259.349 3.662 30 20 CHED CC1(C)CCCN(C(=O)CCCc2ccccc2)[C@@H]1C#N 278024308 TXPUIUBDCLKYJQ-MRXNPFEDSA-N 284.403 3.550 30 20 CHED CO[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 278672759 JGWKITJLQPZAJW-UHOFOFEASA-N 292.810 3.699 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CC(C)(C)C#N)C2)cc1 278879717 ZNFONRWMLCAYIM-ZBFHGGJFSA-N 284.403 3.639 30 20 CHED CC(C)N(C(=O)CC(C)(C)C#N)c1cnc2ccccc2c1 279439041 BKKVYFZOWXOHPU-UHFFFAOYSA-N 295.386 3.916 30 20 CHED CCC[C@H](CC)NC(=O)c1ccc(C(C)(C)C#N)cc1 279612638 FWXGXNYDRZFVIS-HNNXBMFYSA-N 272.392 3.796 30 20 CHED C#CCCCC(=O)N1CC=C(c2cccc(Cl)c2)CC1 279855170 UHRXRBBIDGXPBO-UHFFFAOYSA-N 287.790 3.759 30 20 CHED C=C(Cl)CN[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 280138897 DOIVXRNXOXYEPL-NEPJUHHUSA-N 283.799 3.538 30 20 CHED C#CCCCCN[C@H](CCCOC)c1ccc(F)cc1 282152478 CUKWYKPSHKWWFI-QGZVFWFLSA-N 277.383 3.687 30 20 CHED C#CCCCC(=O)NCCCCc1ccc(Cl)s1 284075168 MELFYXJPKCNOAW-UHFFFAOYSA-N 283.824 3.644 30 20 CHED CCOC1CC(CNc2ccc(C#N)c(C(F)(F)F)c2)C1 285079072 HJZSGDCZYAKRBD-UHFFFAOYSA-N 298.308 3.804 30 20 CHED CCOC1CC(CO/N=C(\C)c2cc3ccccc3o2)C1 285198052 OWABCWAOSUEWNI-LDADJPATSA-N 287.359 3.989 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC(C)(C)c1cccc(Cl)c1 285248056 RSTMOYBPFYQRBM-INIZCTEOSA-N 292.810 3.674 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2oc(C3CC3)nc2c1 285287249 UYFQKEVONNWOQS-MRXNPFEDSA-N 283.331 3.584 30 20 CHED C=CCC(CC=C)c1nc(-c2coc(CCC)n2)no1 289260610 ZMOZEDHHHBNDPI-UHFFFAOYSA-N 273.336 3.913 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)C1 292114430 AIDLZRDERIOPSB-OAHLLOKOSA-N 257.377 3.605 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)[C@@H]1OCCc2sccc21 292570473 ZXZHRQYGWCHXEZ-DOMZBBRYSA-N 292.448 3.670 30 20 CHED C=CCC(C)(C)CNCc1cncc(Br)c1 293079549 WELMKSUSSDVINB-UHFFFAOYSA-N 283.213 3.536 30 20 CHED CC#CCCCC(=O)N(C)c1cc(Cl)ccc1C 294275438 RGRKBJHXIYCTGT-UHFFFAOYSA-N 263.768 3.805 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 295412410 LKGUAZHDVHPRDD-LBPRGKRZSA-N 293.794 3.532 30 20 CHED N#Cc1ccc(N2CCO[C@@H](c3ccccc3Cl)C2)cc1 301202427 QBIANMPGDRBOJR-QGZVFWFLSA-N 298.773 3.790 30 20 CHED C[C@@H](CCc1cccn1C)Nc1ccc(Cl)cc1C#N 301475797 WHUZFEFRIZNEAP-LBPRGKRZSA-N 287.794 3.983 30 20 CHED N#Cc1nc(Oc2ccc(F)c(F)c2)ccc1Cl 301516644 JZLWBSBVEKEDMP-UHFFFAOYSA-N 266.634 3.677 30 20 CHED CN(Cc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1 302056392 QRQVNSGJWCQQLD-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C[C@@H](C1CC1)n1cc(Nc2snc(Cl)c2C#N)cn1 302376208 FYDXCQOHTYKDOG-ZETCQYMHSA-N 293.783 3.579 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/CCc2cccnc2)cc1 303777061 IMYOUMZYAMKUGT-AWEZNQCLSA-N 296.418 3.564 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1F 308134005 ZADDUNIMPVBHQT-MRXNPFEDSA-N 294.329 3.756 30 20 CHED CCO[C@@H]1C[C@H](Nc2cccc(CC#N)c2)C12CCC2 313437663 NTLJDQZLQKEHNO-JKSUJKDBSA-N 270.376 3.512 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1cccc(CC#N)c1 313455609 XXMDGXMNZGXVDY-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC23CCCC3)cc1 328124199 SIDZJUIKKOMILA-INIZCTEOSA-N 254.377 3.761 30 20 CHED Cc1ocnc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 328711485 RKEWLXUMMKJITR-RWMBFGLXSA-N 262.353 3.647 30 20 CHED Cc1cc(C)c(NC(=O)NCc2ccc(C#N)s2)c(C)c1 335602018 KFGWZULBGWIYPD-UHFFFAOYSA-N 299.399 3.867 30 20 CHED Cc1csc(NC(=O)c2cc(F)c(F)c(F)c2)c1C#N 335657536 YHMQCUHZHJEZHK-UHFFFAOYSA-N 296.273 3.598 30 20 CHED Cc1c(NC(=O)[C@]2(C#N)C[C@@H]2C)cccc1C(F)(F)F 336191797 KXAUJPWWFNIRKN-SDBXPKJASA-N 282.265 3.502 30 20 CHED Cc1c(C#N)cccc1C(=O)N(CC(C)C)CC(C)C 337983639 ZXOIJANBPOMFBL-UHFFFAOYSA-N 272.392 3.621 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCC[C@H](OC)C2)n1 340771937 IYGPEOARMCWSQF-NEPJUHHUSA-N 264.369 3.596 30 20 CHED N#Cc1ccccc1CN1CCC=C(c2ccccc2)C1 341992848 QFVCDHOZADAADO-UHFFFAOYSA-N 274.367 3.848 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2occc2C(C)C)n1 342451145 UVRVCHFLYUQIDR-LLVKDONJSA-N 274.345 3.658 30 20 CHED C=CCCOCCCCC(=O)N(C)Cc1ccccc1F 342597486 BQKQKZQQLNZHPZ-UHFFFAOYSA-N 293.382 3.547 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(C#N)c3ccccc3n2)o1 345039883 RKGYZOBOYGLYDS-UHFFFAOYSA-N 291.310 3.569 30 20 CHED Cc1ccc(F)c(CN(C)C(=O)C2(C#N)CCCCC2)c1 347329457 BPYZCZWQUIXFQL-UHFFFAOYSA-N 288.366 3.567 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cccc2cccnc12 348392520 CKEUWGPAZKJKFL-UHFFFAOYSA-N 296.374 3.686 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2ccon2)cc1Cl 351606910 VLEAYZQEUUHFQB-LLVKDONJSA-N 292.766 3.744 30 20 CHED CC(C)(C)CC(=O)COc1cc(Cl)cc(C#N)c1 352197941 HDPAFDXJKLSKRX-UHFFFAOYSA-N 265.740 3.596 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cccc(C)c1F 352572282 GFRSAMPEHPYZMJ-UHFFFAOYSA-N 287.334 3.598 30 20 CHED N#Cc1csc(-c2nc([C@H]3CCc4ccccc43)no2)c1 356557232 GXZDNRBBDMHTBZ-ZDUSSCGKSA-N 293.351 3.748 30 20 CHED N#Cc1ccc(NCc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] 357186974 HEJJSMOKNHULLG-UHFFFAOYSA-N 292.298 3.560 30 20 CHED Cc1cc(CSCc2ccc(C#N)cc2Cl)on1 357424476 WMZZKRWPCFLWHE-UHFFFAOYSA-N 278.764 3.942 30 20 CHED C=CCN(C(=O)c1cnn([C@H](C)CC)c1C1CC1)C1CC1 357488478 BXZKAIVRHUZUER-GFCCVEGCSA-N 287.407 3.522 30 20 CHED Cc1ccsc1CN(C)C(=O)Nc1ccc(CC#N)cc1 359533460 AUGINFOLQXNUIW-UHFFFAOYSA-N 299.399 3.787 30 20 CHED CC[C@@H](C)n1ncc(NCc2cc(C#N)cs2)c1C 359812035 XPFQFHQJRITWAR-SNVBAGLBSA-N 274.393 3.708 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(C#N)c1 361007349 FCGFKPLFPVBBMG-IUODEOHRSA-N 270.376 3.503 30 20 CHED C=C(C)CCNCc1ccc(N2CCCCC2)cc1 395698718 KAOJNTQCWRNUQL-UHFFFAOYSA-N 258.409 3.733 30 20 CHED CC(C)[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 395769986 SKMQHFJGUPLQHC-MRXNPFEDSA-N 260.356 3.708 30 20 CHED CC[C@H](C)[C@@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 397155098 NFSQUNMSSWQETI-MAUKXSAKSA-N 298.430 3.969 30 20 CHED Cc1nc(SCc2ccc(CC#N)cc2)oc1C 399151643 ZKRSZMPIOFAPQC-UHFFFAOYSA-N 258.346 3.650 30 20 CHED CC(C)(C)c1csc(NC(=O)CCCC#N)c1C#N 410933926 ZWHPHZFXHLARQG-UHFFFAOYSA-N 275.377 3.550 30 20 CHED CCO[C@@H](C)c1nccn1CCC1(C#N)CCCCC1 413002674 SFQMPDLESFSGBA-AWEZNQCLSA-N 275.396 3.845 30 20 CHED Cc1cc([C@@H](C)Nc2ncc(C#N)cc2F)c(C)s1 413055955 UTCPPTBEGPVKCX-SECBINFHSA-N 275.352 3.944 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)CCN2 415866039 NOLPWAOTXPBMPG-UHFFFAOYSA-N 287.407 3.865 30 20 CHED CC[C@@H](C)CCC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416092442 BSBWFRRWYVHCMH-CXAGYDPISA-N 284.403 3.878 30 20 CHED CC[C@H]1CN([C@H](C)c2ccc(C#N)cc2)C[C@@H](CC)O1 420950643 GMIQPBFOJISHLI-XYPHTWIQSA-N 272.392 3.509 30 20 CHED CC[C@H]1CN([C@H](C)c2cccc(C#N)c2)C[C@@H](CC)O1 420957663 OKAIKSDZASPBGR-XYPHTWIQSA-N 272.392 3.509 30 20 CHED C=CCOCC(=O)N(C1CCCC1)[C@H](C)c1ccccc1 425573213 AAPLJMDWWACKNI-OAHLLOKOSA-N 287.403 3.721 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1C(F)F 425698405 FYAZLUBTRCVAGF-UHFFFAOYSA-N 254.280 3.712 30 20 CHED CC1(CNC(=O)Nc2ccc(C#N)cc2Cl)CCCC1 426131972 VELRAMFHQWUGFN-UHFFFAOYSA-N 291.782 3.913 30 20 CHED CN(CCSC1CCCCC1)CC(C)(C)C#N 433301381 VIVSUXFAZBRPOT-UHFFFAOYSA-N 254.443 3.534 30 20 CHED CN(Cc1cc(F)cc(F)c1)c1ncc(C#N)cc1Cl 433808124 NUBOKKDHELTNPJ-UHFFFAOYSA-N 293.704 3.521 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 436199816 UYLSTKUFYLRGEE-VXGBXAGGSA-N 288.391 3.794 30 20 CHED CC(C)(C)NC(=O)c1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 437116215 NBKCIBOVDVLSKO-XJKSGUPXSA-N 299.418 3.709 30 20 CHED CS[C@H]1CCCCN(CC#Cc2cccc(Cl)c2)C1 441126811 PMUUKHZQLCLHQZ-INIZCTEOSA-N 293.863 3.909 30 20 CHED Cc1cc(CN[C@@H]2CCc3cc(F)ccc32)ccc1C#N 443981341 RQFOGUAQFFUENH-GOSISDBHSA-N 280.346 3.783 30 20 CHED C[C@@H](CC1CCCCC1)Nc1ncc([N+](=O)[O-])cc1C#N 447674938 IPOAGRJJKIAPNT-NSHDSACASA-N 288.351 3.632 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 448817024 BNUNAMITBYCJOO-OKZBNKHCSA-N 296.414 3.731 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)c1n[nH]c(C(C)C)n1 449207928 RTPZGCTVTIMCMG-QWHCGFSZSA-N 264.417 3.714 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(CCO)cc1OC 449282408 HJDQRFVNDVYGMQ-CQSZACIVSA-N 277.408 3.777 30 20 CHED C=CCC1(C(=O)NCc2cccc(COC)c2)CCCC1 449667966 RWZGMEBCEQLLGE-UHFFFAOYSA-N 287.403 3.586 30 20 CHED Cc1cc(C#N)cc(NCc2ccc(N(C)C(C)C)nc2)c1 449760774 REUAZDXURNAKKN-UHFFFAOYSA-N 294.402 3.718 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccn2C)CCCCC1 450121157 IJWWMEUZYIRNEK-UHFFFAOYSA-N 274.408 3.510 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)Cc1ccccc1OC 452778763 YYBJMGANKOOKAG-CQSZACIVSA-N 289.419 3.592 30 20 CHED CC#CCCCC(=O)N1Cc2cccc(C)c2CC1(C)C 452945909 ULILSDZEOGGYDV-UHFFFAOYSA-N 283.415 3.852 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 453329804 YBXOWEUDOCIONC-LBPRGKRZSA-N 278.352 3.610 30 20 CHED CSc1ccc(C)c(NC(=O)N(C)CC(C)(C)C#N)c1 455077146 SSEROTWNJNDPCA-UHFFFAOYSA-N 291.420 3.730 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCc1cccnc1 457953014 WXPZSKOTXJGNNM-YOEHRIQHSA-N 274.408 3.511 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@@H](c2cccc(F)c2)C1 462827131 TXBIKWDSQYBCBT-CYBMUJFWSA-N 284.309 3.830 30 20 CHED C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 463243386 REJGELJVADVWGO-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED CCCC[C@@H](NC(=O)c1ccc(C#N)s1)C1CCC1 465119806 NGHUDZXXTAEQHH-CYBMUJFWSA-N 276.405 3.708 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(OCCC(C)C)c1 465245216 UTKFTUHZFWQIMY-ZDUSSCGKSA-N 276.380 3.808 30 20 CHED C=CC[C@H](CC)NC(=O)C1(Cc2ccccc2F)CC1 466524009 BDZAPUZWWHJILU-AWEZNQCLSA-N 275.367 3.619 30 20 CHED C=CCCN(C)C(=O)C(C)(C)c1cccc(Cl)c1F 467080471 FUDMYBRXWIKKGD-UHFFFAOYSA-N 283.774 3.791 30 20 CHED CC[C@H](Cc1ccccc1)NCCc1cccc(C#N)c1 467440182 ZTOMPXOFQHPXFY-LJQANCHMSA-N 278.399 3.712 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H]2C=CCCC2)c1 467491463 JFMHTHSOODKLHV-AWEZNQCLSA-N 286.375 3.872 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnc2c(c1)CCCC2 467922634 YBKIRMKSYWXZHQ-INIZCTEOSA-N 258.365 3.501 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C1C(C)(C)C1(C)C 468523343 PMMUZETUEQGKIW-UHFFFAOYSA-N 298.430 3.979 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ncccc1[N+](=O)[O-] 480553908 NCDOPAUMYHILES-UHFFFAOYSA-N 283.331 3.573 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(CC)c1CC 487647614 CTMWGJZYHHEICE-LBPRGKRZSA-N 260.381 3.898 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 488388778 QVRDXITXMONJKK-UHFFFAOYSA-N 293.370 3.728 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(F)cc(F)c1OC 488920424 QMNMQLWDEUZROV-NSHDSACASA-N 296.317 3.546 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCN(C2CCCCC2)CC1 489103851 PLPFXEFIXLNYFP-INIZCTEOSA-N 297.446 3.570 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1CCC(F)(F)F 491094930 IOOWRQONZQISPM-LBPRGKRZSA-N 298.308 3.715 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](C)c1cccc2ccccc12 491316856 YCRRHRYOAYAQCL-UONOGXRCSA-N 280.371 3.564 30 20 CHED C=C(C)CCc1noc([C@H](C)N(C)C(=O)OC(C)(C)C)n1 496952972 APOCQWNUXXWCKI-NSHDSACASA-N 295.383 3.506 30 20 CHED C=CCOc1cccc(CN(C)Cc2cccs2)c1 505636957 MTKPVSSJNDBWDR-UHFFFAOYSA-N 273.401 3.945 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1cccc(C#N)c1C 509331965 ONLOQZICGYONMU-HNNXBMFYSA-N 292.382 3.975 30 20 CHED Cc1ccc(C)c(OCCOc2ccc(C#N)c(F)c2)c1 520931121 YWUJFVKFGLRIID-UHFFFAOYSA-N 285.318 3.772 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)s1 530913791 TVKGXFGQGMUUJE-WCQYABFASA-N 276.405 3.708 30 20 CHED Cc1ccc(CCNCc2ccc(C#N)cc2F)c(C)c1 532589242 VPOHUFOFJZLNTD-UHFFFAOYSA-N 282.362 3.647 30 20 CHED CC(C)COc1ccc(CN(CCC#N)C(C)C)cc1 535077387 ZJPKCPXGCTWZTC-UHFFFAOYSA-N 274.408 3.845 30 20 CHED C=CCN(C(=O)N[C@H](C)Cc1ccc(C)cc1C)C1CC1 537912100 SVUWMUGUPHMLLJ-OAHLLOKOSA-N 286.419 3.594 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1ccccc1C(F)(F)F 539359998 WDFRZWXNXZMHEN-NWDGAFQWSA-N 287.325 3.683 30 20 CHED CC[C@H](NCCSCc1ccccc1C#N)C(C)C 540172704 SPRVZQTVUHPTSX-INIZCTEOSA-N 276.449 3.816 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CC[C@@H](C)SC 540212536 NNGNLSGSSBXGIS-OAHLLOKOSA-N 291.460 3.775 30 20 CHED CC[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccc(C)cc1 541036961 PNQGFBZHWAFXEY-KRWDZBQOSA-N 299.418 3.781 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 541044718 BZNAXPGDJPVSTR-OCCSQVGLSA-N 290.794 3.847 30 20 CHED Cc1ccc(C(=O)NCC#Cc2ccccc2)c(Cl)c1C 542160777 RSTGUSRCSAKVOX-UHFFFAOYSA-N 297.785 3.738 30 20 CHED N#Cc1nn(Cc2cccc(Cl)c2)c2ccccc12 542338471 JXEUUAYWLKENGJ-UHFFFAOYSA-N 267.719 3.610 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 542535143 GIPGHBZXHMJJFI-NHYWBVRUSA-N 290.794 3.910 30 20 CHED COc1cc(C#N)ccc1CN1C[C@H](C)[C@@H]2CCCC[C@@H]21 542968347 ZRXOZPFECKPEBO-JQFCIGGWSA-N 284.403 3.577 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H](C)C3)c2c1 549262630 YOEMADMRLDPJKP-SNVBAGLBSA-N 285.778 3.915 30 20 CHED N#Cc1cc(Cl)ccc1NCCc1nc2ccccc2[nH]1 549462971 KCPOEYAOUUNGOI-UHFFFAOYSA-N 296.761 3.743 30 20 CHED CC1(C)C(C(=O)N[C@](C)(C#N)C2CCCCC2)C1(C)C 550350876 GCWURDAITVSGIR-QGZVFWFLSA-N 276.424 3.647 30 20 CHED C=CCC[C@H](NC[C@H](C)CN1CCCCC1)c1ccco1 552037743 IDNLSTTXBSDGKO-IRXDYDNUSA-N 290.451 3.999 30 20 CHED C[C@](C#N)(NC(=O)[C@@H]1CC2CCC1CC2)C1CCCCC1 556182136 INIDFPFOSFBCFK-WOVHFWOGSA-N 288.435 3.791 30 20 CHED CC[C@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 562433312 VZUXKLSMGVHFIQ-ZDUSSCGKSA-N 272.739 3.565 30 20 CHED Cc1cccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1 563973975 GVWNJWGBZBLQJX-KRWDZBQOSA-N 270.376 3.587 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN2CCCC(C)(C)[C@@H]2C#N)o1 566953731 AMCXVCOBJOQJRI-INWMFGNUSA-N 272.392 3.917 30 20 CHED C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1C 568918281 DJYUHZACWVIWLB-UHFFFAOYSA-N 296.374 3.631 30 20 CHED O=C(NCC#Cc1cccc(F)c1)[C@H]1CCCC[C@H]1C1CC1 569107441 WGEWLVLEBGVGFQ-ROUUACIJSA-N 299.389 3.510 30 20 CHED N#CC1(CCO[C@@H]2CCCc3c[nH]nc32)CCCCC1 569912586 MHJORRAOXGXOMC-CQSZACIVSA-N 273.380 3.668 30 20 CHED Cc1cc(SCc2nc(C(C)(C)C)no2)ccc1C#N 569927585 YNPANUFIGQAJHP-UHFFFAOYSA-N 287.388 3.840 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1Cl)CC2 570439660 VVUZNAXVGSAPOE-KRWDZBQOSA-N 282.774 3.989 30 20 CHED N#CCSc1ccccc1NC(=O)CSC1CCC1 574011552 ZARMPFZZQDJMMN-UHFFFAOYSA-N 292.429 3.526 30 20 CHED C=CCC[C@@H](CCC)Nc1cc(CCOC)ccn1 574300598 PDEQYHQPGXBHBG-OAHLLOKOSA-N 262.397 3.817 30 20 CHED CC[C@@H](CSC)N(C)C(=O)Nc1scc(C)c1C#N 574820550 SOVAVKNIMOBPGU-JTQLQIEISA-N 297.449 3.534 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)O[C@H](C)C1 577267423 JNBUEEZOGUNBIZ-CYGHRXIMSA-N 273.420 3.719 30 20 CHED COc1ccc([C@H](CCC#N)NCCCC2CC2)cc1 581111506 HFOCOJMJOMLPES-KRWDZBQOSA-N 272.392 3.820 30 20 CHED CC[C@](C)(C#N)c1nc([C@H](C)c2ccccc2C)no1 584436202 VBLVYRPDJBVBSM-MLGOLLRUSA-N 269.348 3.721 30 20 CHED CCCCOc1ccc(NC(=O)C2(C#N)CCC2)c(C)c1 584462134 QRJHSKRGMZUURR-UHFFFAOYSA-N 286.375 3.806 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 588159198 AAXAQVISUDIZEA-SOUVJXGZSA-N 262.397 3.545 30 20 CHED C=CCC[C@H](C(=O)NCCSC(C)C)c1ccccc1 588168507 QDVXCEJZKFWOIS-INIZCTEOSA-N 291.460 3.994 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C(C)C)cc2)cnn1C 588397217 GTKCBJAXFJKVFM-YFHOEESVSA-N 268.360 3.748 30 20 CHED CC[C@@H](C)[C@@H](NC(=O)CCCCCC#N)C(F)(F)F 588978649 UEKSFOYKTSSSAF-ZYHUDNBSSA-N 278.318 3.554 30 20 CHED CC(C)=CCOc1ccc(C(F)(F)F)c(C#N)c1 589270554 DXOGNCBEHXNLRM-UHFFFAOYSA-N 255.239 3.922 30 20 CHED C[C@H](C[C@@H]1CCOC1)Nc1ccc(C#N)cc1C(F)(F)F 589583921 GOWGOFFWJOTSPK-PWSUYJOCSA-N 298.308 3.804 30 20 CHED CCC[C@@H](NC1CCC(C)(C#N)CC1)c1ccccn1 590645845 YADNHXYIRWAMOR-ARWYELJZSA-N 271.408 3.985 30 20 CHED N#C[C@H]1CC[C@H](Sc2nnc(-c3ccccc3F)o2)C1 590711336 XBUFRQCVOYMAQT-UWVGGRQHSA-N 289.335 3.660 30 20 CHED N#CCCN(CCc1c(F)cccc1F)Cc1ccco1 592071858 SOZXAVRTTKGTOE-UHFFFAOYSA-N 290.313 3.516 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCCc1ccc2c(c1)CCCC2 593454114 WDXUJRLWHNVZAV-HNNXBMFYSA-N 298.430 3.649 30 20 CHED CC1(C#N)CCN(C(=O)c2cccc(C(C)(C)C)c2)CC1 594337822 MLLXYRIPWKNPES-UHFFFAOYSA-N 284.403 3.750 30 20 CHED N#Cc1ccc(CCN2CC[C@H](c3ccc(F)cc3)C2)cc1 595338460 IIZDXBCZGOZZBD-SFHVURJKSA-N 294.373 3.729 30 20 CHED Cc1ccccc1CCCN1CCC[C@H](CC#N)C1 595615926 UPRRHOLGJNWCBU-MRXNPFEDSA-N 256.393 3.553 30 20 CHED CC(C)C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)C1 596145521 PCRHHYMYCSFBCE-VIFPVBQESA-N 269.801 3.541 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 597041952 RQEYUCDAJWMUEL-HWMZRRJGSA-N 276.424 3.647 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)c(F)c1Cl 597902963 FWDSJGJSPKPOKY-NSHDSACASA-N 294.757 3.553 30 20 CHED C[C@@H](C#N)N(C(=O)C1CCC(c2ccccc2)CC1)C1CC1 598128736 OURREFOSPVNHHK-OOHWJJMZSA-N 296.414 3.863 30 20 CHED N#C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C1CC1 601073788 FBAQTLXMHPDBPP-ZDUSSCGKSA-N 274.320 3.875 30 20 CHED CC(C)N(Cc1cccs1)C[C@H](C)CCC#N 602439740 MNGQBJSXCGULNI-CYBMUJFWSA-N 250.411 3.898 30 20 CHED C[C@H](CCC#N)CN1CCc2cccc(F)c2[C@H]1C 602468171 JXBZLUHKPGIDEI-CHWSQXEVSA-N 260.356 3.685 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)n2)CC[C@H]1c1ccccc1 602476327 NAULTCXJUTXILA-HNAYVOBHSA-N 291.398 3.579 30 20 CHED N#CCC1(CN(C2CC2)[C@H]2CCc3ccccc32)CC1 602791255 PEIPGIHIQLUOQV-KRWDZBQOSA-N 266.388 3.832 30 20 CHED CC(C)(C#N)CCCn1cc(-c2ccc(Cl)s2)nn1 603260721 OWHIZQBNQXMAJO-UHFFFAOYSA-N 294.811 3.990 30 20 CHED CCCOc1ccc(Nc2nnc(C)c(C)c2C#N)c(C)c1 603944494 SXFZDDZHRRNGFU-UHFFFAOYSA-N 296.374 3.806 30 20 CHED C=CCOCC(=O)N(C)c1ccc(-c2ccccc2)cc1 608163320 QXXOYSPNQRYDIC-UHFFFAOYSA-N 281.355 3.519 30 20 CHED C=C(CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 610420468 QHBQRNDCXKFAOW-AWEZNQCLSA-N 282.343 3.959 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N(C)c2ccccc2C#N)C1(C)C 610795831 OOGMNFRQPFFOLZ-HOCLYGCPSA-N 282.387 3.759 30 20 CHED C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCN(CCC#N)CC1 611175958 QLPDKEBGLADYSF-INIZCTEOSA-N 299.462 3.576 30 20 CHED C=CCCC[C@H](C)NC(=O)CSCc1ccc(F)cc1 611429029 DKBCSGVHRBSLSI-ZDUSSCGKSA-N 295.423 3.920 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(OCC)c2)C1 617785501 KSGRCJHAGVLWKJ-AWEZNQCLSA-N 273.376 3.514 30 20 CHED CSC1(CN=c2c(C#N)c[nH]c3c(C)cccc23)CCC1 618976279 AQIYINPRRVQKEV-UHFFFAOYSA-N 297.427 3.534 30 20 CHED C=CCC1(NCc2nncn2-c2ccccc2)CCCCC1 625934215 FKTUVCQWXDJUPW-UHFFFAOYSA-N 296.418 3.636 30 20 CHED C=C[C@H](Cc1nc(COC2CCC2)no1)c1ccccc1 634673161 XCVCGBJQWWLVDO-CYBMUJFWSA-N 284.359 3.651 30 20 CHED C=CCC(C)(C)CNC(=O)CCCn1cnc2ccccc21 647121404 LSBJKGVMXLCZIM-UHFFFAOYSA-N 299.418 3.535 30 20 CHED C=C(CC)CNc1ccccc1C(=O)N(C)C(C)C 656123824 LGDFCMKMYKXUKY-UHFFFAOYSA-N 260.381 3.545 30 20 CHED C=CCC1(NCc2ccc(OC(F)F)cc2)CCOCC1 657633019 QRCNOSVVZTWCED-UHFFFAOYSA-N 297.345 3.503 30 20 CHED CC(C)(C#N)CCCCN1CCC2(CCCC2=O)CC1 661957170 DZGNVBHUBXYICP-UHFFFAOYSA-N 276.424 3.542 30 20 CHED C=CCC1(NC(=O)NCc2cccc3cc[nH]c23)CCCC1 664729352 ZJBLSDIAIAAARR-UHFFFAOYSA-N 297.402 3.856 30 20 CHED C=CCCOCC(=O)N1CCCC(C)(C)c2ccccc21 677666978 AGTOJXZNGQZCRU-UHFFFAOYSA-N 287.403 3.684 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(C3CC3)cc2)n1 690276255 YNILYFXOGGXXNW-UHFFFAOYSA-N 264.332 3.532 30 20 CHED Cc1nc(C#N)cc(NCc2cccc(Cl)c2Cl)n1 693656847 RIKAGSIVTHCZJC-UHFFFAOYSA-N 293.157 3.576 30 20 CHED N#Cc1ccncc1N1CCC(C2CCCCC2)CC1 708861596 WGXGTMIJOZPWPH-UHFFFAOYSA-N 269.392 3.750 30 20 CHED CN(CCC(C)(C)C#N)c1ccc(Br)cc1 723909333 MLZJUNYBUORSDT-UHFFFAOYSA-N 281.197 3.825 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C1CCCCCC1 726146101 QQUFJILAGRCNPP-UHFFFAOYSA-N 287.378 3.758 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCc1cc(C#N)ccc1F 727880948 FHJWIOMGGDUSPT-GFCCVEGCSA-N 277.339 3.813 30 20 CHED C(/C=C/c1ccco1)=NNc1cccc2cnccc12 728432787 BBZAALWPNYYXHY-ZAYQNZHWSA-N 263.300 3.939 30 20 CHED C#Cc1cccc(N(C)Cc2cnc(-c3ccccc3)nc2)c1 728573957 GZCOQUYTPJTOKH-UHFFFAOYSA-N 299.377 3.761 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 728713194 TUEHEAKFIMARLV-WWECUESFSA-N 298.430 3.892 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccccc2C#N)C1 728854736 RGROOLFRFJWECB-PJDFAFLYSA-N 296.414 3.902 30 20 CHED CC(C)CCN(CCC#N)C(=O)C=C(C1CC1)C1CC1 728871596 ZUDUCBCKJYYQIO-UHFFFAOYSA-N 274.408 3.521 30 20 CHED COc1ccccc1C(C)=NN=c1cc[nH]c2ccccc12 730148388 SFDBPXLWFACNEA-UHFFFAOYSA-N 291.354 3.501 30 20 CHED C[C@@H](OC(=O)CC[C@H]1CCCCO1)c1cccc(C#N)c1 732501901 FDCCUTTYAAXACS-CZUORRHYSA-N 287.359 3.512 30 20 CHED Cc1ccc(NN=C2CCc3cc(F)ccc32)cc1 734295685 IBVOPQULNXXTMG-UHFFFAOYSA-N 254.308 3.897 30 20 CHED COc1ccc(C=NNc2cc(F)c(F)cc2F)cc1C 734302612 HKNBUTFTWPKISP-UHFFFAOYSA-N 294.276 3.867 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 734986402 LLTVHKGPNWEUJR-SECBINFHSA-N 288.338 3.956 30 20 CHED C=C(Cl)COC(=O)C(C)(C)Cc1ccccc1 735559098 KVSHODFMWXXPPW-UHFFFAOYSA-N 252.741 3.551 30 20 CHED Cc1cc(NN=C(CC2CC2)c2ccccc2)nc(C)n1 735971998 GZDJYPBESCBWDC-UHFFFAOYSA-N 280.375 3.710 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1ccc(C#N)cc1 736033756 MSIBUJMKFWZMMN-XUJVJEKNSA-N 257.333 3.540 30 20 CHED FC(F)CNN=C1CCCC[C@@H]1c1ccccc1 740618496 RZDPJPJUZANVDY-GFCCVEGCSA-N 252.308 3.555 30 20 CHED C=CCCON=Cc1cccc(OCc2ccncc2)c1 740872986 VAMDWAGDOYSDQL-UHFFFAOYSA-N 282.343 3.587 30 20 CHED CCCCCCCCOCC(=O)N1CCC[C@H](C)C1 741660649 YKPDUKCVJYUKIR-HNNXBMFYSA-N 269.429 3.622 30 20 CHED COc1ccc(/C=C2/CCc3sccc3C2=O)cc1C#N 741841945 CSOYAIKYQHNBGZ-WQLSENKSSA-N 295.363 3.841 30 20 CHED C/C(=C/C(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)C 742631169 VVXWBMXGNUUZKO-YFHOEESVSA-N 260.312 3.628 30 20 CHED Cc1ncsc1C=NNc1ccccc1C(F)(F)F 743417382 HWFJMXLQIYWLKB-UHFFFAOYSA-N 285.294 3.916 30 20 CHED O=C(/C=C\c1ccc2c(c1)OCCO2)C1CCCCC1 747003263 GHCFIRIFPALKOC-VURMDHGXSA-N 272.344 3.620 30 20 CHED CCCCCCCCCOC(=O)[C@]1(C)CCN(C(C)=O)C1 747084974 MWAIANXRTKMDFY-QGZVFWFLSA-N 297.439 3.539 30 20 CHED C#CC[C@H](OC(=O)c1nc(-c2ccccc2)oc1C)C(C)C 747196704 VJNPXXWSOFZRJP-HNNXBMFYSA-N 297.354 3.855 30 20 CHED Cc1nc(C)c(C=NNc2cc(F)c(F)c(F)c2)s1 747642933 YVXJOANNVZMRIO-UHFFFAOYSA-N 285.294 3.623 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ccc(C(=O)O)cc1 748246145 KBKVCLZVALRMIN-LLVKDONJSA-N 262.353 3.999 30 20 CHED CCc1ccc(N(CC)C(=O)Cc2ccc(C#N)cc2)cc1 749788366 YXFASWRJHOXVLM-UHFFFAOYSA-N 292.382 3.716 30 20 CHED Cc1ccccc1C(C)(C)C/N=C/c1cccc(O)c1O 750949518 FZALLYNIDOHNFU-YBFXNURJSA-N 283.371 3.803 30 20 CHED C#C[C@@H](CC)NC(=O)CCc1ccc(-c2ccccc2F)o1 754393784 JMANJZPAWRXHNP-ZDUSSCGKSA-N 299.345 3.546 30 20 CHED Cc1ccc(-c2nc(C=NOCC(F)(F)F)co2)cc1 755798101 PVVBSAVLLVAIES-UHFFFAOYSA-N 284.237 3.563 30 20 CHED C#CC[C@@H](NCc1ccc(F)cc1)c1ccccc1 756996224 PBVKYFWWOGMLAU-QGZVFWFLSA-N 253.320 3.680 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C)cc2O)c1OC 757474638 CSTBDJIMVCVNAX-CSKARUKUSA-N 298.338 3.614 30 20 CHED N#Cc1cc(COC(=O)c2ccccc2Cl)ccc1F 758909556 JNINYWYGTZLFIA-UHFFFAOYSA-N 289.693 3.708 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(O)c(F)c2)c1 759210066 NGHKMNANKRFFCC-UHFFFAOYSA-N 292.285 3.515 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc3c(c2)ncn3C)c1 761248471 DUPINLOPTNAXOD-UHFFFAOYSA-N 278.359 3.636 30 20 CHED C#CCOc1cccc(-c2noc(-c3ccccc3F)n2)c1 761782849 XDQFHVAAKJMVOY-UHFFFAOYSA-N 294.285 3.555 30 20 CHED N#Cc1ccc(SCc2nc(Cl)ccc2Cl)nc1 762467254 KKHFUDWYUGZQOZ-UHFFFAOYSA-N 296.182 3.947 30 20 CHED CC1(C)CCC(C=NNc2nc(O)c3ccccc3n2)CC1 764695795 CEHXQOZRXHIBQC-UHFFFAOYSA-N 298.390 3.950 30 20 CHED C=CCSCCNc1ccnc2cc(OC)ccc12 765486830 AYMIEVPPQBDMQY-UHFFFAOYSA-N 274.389 3.575 30 20 CHED C#CCCCOC(=O)c1c(Cl)cccc1Cl 766865604 KLHYNYIKARBIBS-UHFFFAOYSA-N 257.116 3.564 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2C(C)(C)C)cc1 769315844 WQRXSUAUYVUWDW-YOEHRIQHSA-N 286.419 3.988 30 20 CHED C=CCC[C@H](C)OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 772781424 IHHZZGUAQZULMF-JTQLQIEISA-N 288.303 3.588 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc2ncccc2c1 773091454 PIEKMTZQFWUONI-UHFFFAOYSA-N 291.358 3.594 30 20 CHED COc1cc(F)cc(NN=C2CCCNc3ccccc32)c1 774387904 KKZABJDQMIICRH-UHFFFAOYSA-N 299.349 3.856 30 20 CHED C(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1coc2ccccc12 774607739 KUMNQDHSVNPKKA-HUBLWGQQSA-N 254.333 3.545 30 20 CHED N#Cc1cccc(COC(=O)/C=C\c2ccccc2F)c1F 774900183 LASRKLSEWICOIU-HJWRWDBZSA-N 299.276 3.593 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)cc1OC)C(C)C 776079845 OFOPYPNVPIZILO-UHFFFAOYSA-N 282.771 3.777 30 20 CHED C#CCOc1ccccc1NC(=O)N[C@@H](C)CCCC=C 776088706 CYEOTYZYUVGUIE-AWEZNQCLSA-N 286.375 3.565 30 20 CHED N#C[C@@H](OC(=O)c1cc2ccsc2[nH]1)C1CCCCC1 776362502 FXBBTHHBBMVGIA-CYBMUJFWSA-N 288.372 3.859 30 20 CHED Cc1ccc(C=NNc2nc3ccccc3cc2C)nc1 776782283 HLTYQLZYZGZWSK-UHFFFAOYSA-N 276.343 3.693 30 20 CHED Cc1ccc2c(c1C)C(=NOCCC(F)(F)F)CCO2 777458870 FAZZABZUAKIOMG-UHFFFAOYSA-N 287.281 3.759 30 20 CHED C=CCCCCCOC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 777609578 LJLJRJFMWUYPGM-YIONKMFJSA-N 278.392 3.671 30 20 CHED Clc1cccc(C=NNc2cc(Cl)ccn2)c1 777913982 URKVAUNDAKWGFR-UHFFFAOYSA-N 266.131 3.834 30 20 CHED CC1(C)CC(=NNc2ncc(F)cn2)CC(C)(C)C1 779784620 QQCJTOFWCSZTKM-UHFFFAOYSA-N 264.348 3.620 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 779968618 WCHLJBRVQILJEV-HUUCEWRRSA-N 281.465 3.703 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1CC(F)(F)C(F)F 780384314 HEHRXZLDLXVFIL-RQJHMYQMSA-N 281.215 3.550 30 20 CHED CC(C)CNN=C1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]12 781124295 CYGQYKNCAVFUSS-ZWKOTPCHSA-N 299.462 3.520 30 20 CHED C=C(C)COC(=O)c1cnn(C2CCCC2)c1CCC 784834982 FLACDDKBNZWHGW-UHFFFAOYSA-N 276.380 3.684 30 20 CHED Cn1ccnc1NN=C1CCCCc2ccc(Cl)cc21 790299985 NOKQQFFSLNUULK-UHFFFAOYSA-N 288.782 3.616 30 20 CHED CCCCOc1ccc(/C=C\C(=O)c2ccnc(O)c2)cc1 791430533 CFMXTNOAYLLFEF-TWGQIWQCSA-N 297.354 3.862 30 20 CHED C=CCC1(C(=O)OCCCCCn2cc(C)cn2)CCC1 791562757 NDWJVXDJXARWMG-UHFFFAOYSA-N 290.407 3.651 30 20 CHED CC[C@H](C)CON=Cc1cnc(C(C)(C)C)s1 793143840 AIHNAONMYYKEBC-JTQLQIEISA-N 254.399 3.837 30 20 CHED Clc1cccc(NN=Cc2cc3ccccc3[nH]2)n1 793163452 LCUBMNQTWDNCIR-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CC(=NN=C[C@H](c1ccccc1)C(C)C)c1cnccn1 794512850 DLQIELCQAMYHED-INIZCTEOSA-N 280.375 3.711 30 20 CHED CSCCON=C(C)C12CC3CC(CC(C3)C1)C2 794572221 MCBTXFCMXDTZGG-UHFFFAOYSA-N 267.438 3.958 30 20 CHED N#CCCCC[S@@](=O)[C@H]1CCc2cc(Cl)ccc21 794786897 GWOCMHLPOJZJDA-KBXCAEBGSA-N 281.808 3.770 30 20 CHED O=C1c2ccccc2CN1N=CCc1cccc(Cl)c1 794929115 PBCTUPKDNCCGCC-UHFFFAOYSA-N 284.746 3.524 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NNc1ncccc1F 794989766 BZEHAQLKNNFBQA-UHFFFAOYSA-N 297.255 3.994 30 20 CHED Cc1ccc(C=NNc2ncccc2F)cc1Cl 794990983 SJLLEKMNGWGAGJ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CCC(F)(F)C2)C(C)C)c1 796644459 WPFQUASZFMYJQF-AWEZNQCLSA-N 291.341 3.845 30 20 CHED Cc1cc(CN(CCC#N)CC(C)(C)C)cc(Cl)n1 797590672 ICCHMBJRAFEJDB-UHFFFAOYSA-N 279.815 3.805 30 20 CHED Cc1nn(C(C)C)cc1/C=C1\CCCC(C)(C)C1=O 798370074 BFZQMBANDXYIHM-UKTHLTGXSA-N 260.381 3.935 30 20 CHED C#C[C@@H](NC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(C)C 799045852 VEJNFOVUZNJDLP-CVEARBPZSA-N 291.822 3.854 30 20 CHED COc1ccccc1CON=CC1Cc2ccccc2C1 799117251 HMJJJGWVVVJSQI-UHFFFAOYSA-N 281.355 3.613 30 20 CHED Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1C#N 799295360 IVOGNSVUSSQHRP-UHFFFAOYSA-N 276.339 3.608 30 20 CHED CCc1cc(C#N)ccc1OCc1cccc(Cl)n1 799587587 DNWZWKHBSZNGSH-UHFFFAOYSA-N 272.735 3.748 30 20 CHED C=CC[C@H](N[C@H](C)c1cccc(O)c1)c1ccncc1 799718493 CVJKNPQLDGKYIW-DYVFJYSZSA-N 268.360 3.755 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)c2ccsc2)c1 800821296 MNJLXNDDWSHHLF-NSHDSACASA-N 286.425 3.777 30 20 CHED C[C@H](C#N)OCCN(c1ccc(F)cc1)C1CCCC1 801933909 DOZVKIZCWMBKDR-CYBMUJFWSA-N 276.355 3.503 30 20 CHED C[C@@H](C#N)OCCN(c1ccccc1F)C1CCCC1 801934158 ZXIJGFSHELVTOP-ZDUSSCGKSA-N 276.355 3.503 30 20 CHED CC(C)(C#N)CCOC(=O)C(C1CCC1)C1CCC1 803788931 CIQIOSWNOVBWLQ-UHFFFAOYSA-N 263.381 3.686 30 20 CHED CCCc1nnc(S)n1N=CC1CCC(C)(C)CC1 808007889 MIVCZWLUVWAPES-UHFFFAOYSA-N 280.441 3.570 30 20 CHED C=CCCCCCCNS(=O)(=O)Cc1ccc(C)cc1 808312585 DDFHKRODJFKVGP-UHFFFAOYSA-N 295.448 3.551 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(C)c1)C(C)(C)C 808316100 FKJYRHNUHVGTIG-IAGOWNOFSA-N 298.430 3.889 30 20 CHED C#Cc1ccc(CN(C)Cc2ccc(OCC)cc2)cc1 809538521 OQKHLSMAMMZMKT-UHFFFAOYSA-N 279.383 3.699 30 20 CHED C#C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 809685534 YXZXWTJTHBZSEK-MRXNPFEDSA-N 298.342 3.602 30 20 CHED Cc1cc(Cl)nc(CN[C@H]2CCc3ccc(C#N)cc32)c1 810241421 SUXDTEXTWNIPHH-INIZCTEOSA-N 297.789 3.692 30 20 CHED C#Cc1ccccc1CC(=O)OCc1ncc(C(C)C)s1 810668242 VVGVVKMRPFJTIG-UHFFFAOYSA-N 299.395 3.534 30 20 CHED CCSCC(=NOC/C=C\Cl)c1ccccc1 811670155 YPIVWPBHUGEVLM-PSHHFHDCSA-N 269.797 3.913 30 20 CHED COc1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1O 811697090 CGZJSFUUUCIBDO-NXZHAISVSA-N 280.323 3.853 30 20 CHED CCN(CC)c1ccc(CNc2cccnc2C#N)cc1F 811804375 LJMOVGFEIQZEQU-UHFFFAOYSA-N 298.365 3.551 30 20 CHED Cc1cccc(C(C)C)c1NN=C1CCN2CCC[C@H]12 812232245 ZJEVFJBSVOFTRC-MRXNPFEDSA-N 271.408 3.754 30 20 CHED CC(C)OCCON=C1CCC[C@@H](c2cccnc2)C1 812239845 BMWHWPBAUDYZCZ-CQSZACIVSA-N 276.380 3.537 30 20 CHED Fc1ccc(NN=C2CC[C@H]2C2CCC2)c(F)c1 814686235 WXIRZFGWENHQCR-NSHDSACASA-N 250.292 3.943 30 20 CHED CC[C@H](C=NNc1ccccc1C(=O)O)c1ccccc1 814768995 RIKXZVBLCIDEMU-CYBMUJFWSA-N 282.343 3.976 30 20 CHED CC(C)OC1CC(=NNc2ccc([N+](=O)[O-])cc2Cl)C1 814833109 XUOAZVXIIPEOFS-UHFFFAOYSA-N 297.742 3.604 30 20 CHED c1ccc(C2CC(=NN[C@H]3C[C@H]4CC[C@H]3C4)C2)cc1 814893290 KZSXOIOYDKQCDP-CHUXSZHVSA-N 254.377 3.698 30 20 CHED CSc1ccc(C=NNCCC(C)(C)C)s1 814901728 VVLOMCHHKYCHIP-UHFFFAOYSA-N 256.440 3.830 30 20 CHED FC(F)(F)CCON=C1Cc2[nH]c3ccccc3c2C1 814910637 ZZPZYAOVUPCNDZ-UHFFFAOYSA-N 282.265 3.592 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](c1ccccc1)C1CCC1 815416328 XGNLMXDMXHJTLN-AWEZNQCLSA-N 279.330 3.855 30 20 CHED C=CCC(F)(F)C(=O)Nc1c(-c2ccccc2)n[nH]c1C 816164422 WYSAAVMCZUJKJB-UHFFFAOYSA-N 291.301 3.535 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@@H](C2CCCC2)C1 817126548 XJDIYYACEVSTPW-SNVBAGLBSA-N 281.812 3.685 30 20 CHED CC(C)c1ccccc1CN1CCC[C@H](CC#N)C1 826861869 LYJRPZFURKIWKF-OAHLLOKOSA-N 256.393 3.936 30 20 CHED C[C@]1(COc2ccccc2C#N)CC1(Cl)Cl 828519399 OYBWSBAQPCWSSA-LLVKDONJSA-N 256.132 3.521 30 20 CHED C=CCC[C@@H](CO)Nc1cc2ccccc2c(Cl)n1 829390444 JRQFAMAWBFMAMJ-LBPRGKRZSA-N 276.767 3.627 30 20 CHED C#CC1CCN(Cc2csc(Cc3ccccc3)n2)CC1 830316399 QNEZPOYQNKHVKW-UHFFFAOYSA-N 296.439 3.579 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1cccnc1F 832096835 PXONOXKRFLTAJF-UHFFFAOYSA-N 291.370 3.821 30 20 CHED CC1(C)CCC/C(=C/c2cc(F)ncc2F)C1=O 834430042 DGMSEDDEOMSSDO-TWGQIWQCSA-N 251.276 3.522 30 20 CHED CCCCc1nnc(S)n1N=C(C)c1csc(C)c1 834921522 GQKNVSLCZPFCHN-UHFFFAOYSA-N 294.449 3.552 30 20 CHED CC(C)C(CCc1ccccc1)=NNc1ccncn1 835001743 JFUCTWIJYIJGRV-UHFFFAOYSA-N 268.364 3.533 30 20 CHED C=CC(C)(C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 835144728 HOZUHSYVLBWIQH-SNVBAGLBSA-N 288.347 3.824 30 20 CHED Cc1sccc1C(=O)OC[C@@H](C#N)Cc1cccs1 835260807 KSEDXYGVJVAVRC-LLVKDONJSA-N 291.397 3.657 30 20 CHED C#Cc1ccc([C@@H](OC(=O)CC2CC2)C(F)(F)F)cc1 836081445 VNILOONLAWGFGC-CQSZACIVSA-N 282.261 3.615 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 836789212 JPRYNSPOGRKTQE-DLBZAZTESA-N 286.419 3.828 30 20 CHED CCc1ccc(N(CC2CC2)C(=O)c2cc(C#N)c[nH]2)cc1 836836517 QDFOHQIBJBZOTN-UHFFFAOYSA-N 293.370 3.506 30 20 CHED CC1CCN(c2cccc(NC(=O)C#CC(C)(C)C)c2)CC1 837431301 IXKCQYZNMWNPIR-UHFFFAOYSA-N 298.430 3.911 30 20 CHED CC[C@H](CC(C)C)C(=O)OCc1ccc(OCC#N)cc1 838252815 QBXOIFNEGVFUAV-OAHLLOKOSA-N 289.375 3.704 30 20 CHED C=CCC1(C(=O)OCc2nc(CCCC)no2)CCCC1 838281048 XGYQLONJSQITPF-UHFFFAOYSA-N 292.379 3.592 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(Cl)cs2)C1 839060473 VIMSSCXWQGNJMQ-PSASIEDQSA-N 269.753 3.641 30 20 CHED CC1(C)C[C@H](C/N=C\c2cc3ccccc3nc2O)CCO1 840709565 JYOSCYZZVKYZSJ-CQLSMYGBSA-N 298.386 3.565 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)c1 840717179 RVIJVZSAZVPZQX-VURMDHGXSA-N 296.370 3.684 30 20 CHED C=CC[C@@H](C(=O)OCCc1ccncc1C)c1ccccc1 842398585 ODXIKFJPKOAMMH-GOSISDBHSA-N 295.382 3.836 30 20 CHED C[C@@]1(C(=O)OCC2(C#N)CCCC2)CCc2ccccc21 842756647 JUZRWMARRJBWGG-QGZVFWFLSA-N 283.371 3.518 30 20 CHED C=C[C@H](C)ONC(=O)CCc1ccc(Cl)c(Cl)c1 846550155 LFZVUQKSWRXWII-VIFPVBQESA-N 288.174 3.548 30 20 CHED COc1ccc(N[C@@H](C)Cc2cccs2)cc1C#N 846747238 DXUOLRLAKMYHCO-NSHDSACASA-N 272.373 3.671 30 20 CHED CCc1nocc1/C=C1\Cc2cc(C)cc(C)c2C1=O 848643480 XZFAZABRRCBPJA-MDWZMJQESA-N 267.328 3.676 30 20 CHED CSc1cc(C(=O)O[C@H](C)CC(C)(C)C#N)c(C)o1 851202736 LGKXRFYTLLQFJK-SECBINFHSA-N 281.377 3.795 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1(C)CCCCC1 851207197 UWARFIYQLCIMIV-GFCCVEGCSA-N 251.370 3.828 30 20 CHED C=CC[C@@H]1CCCN(Cc2cccc(Br)n2)C1 852410447 MFZHEXZAJMIOQY-GFCCVEGCSA-N 295.224 3.632 30 20 CHED CCSC1(C/N=C/c2cc(Cl)ccc2O)CC1 852999217 YMKNQGGWIXXMPO-OVCLIPMQSA-N 269.797 3.750 30 20 CHED CO[C@@H](C=NNc1ccc(F)cc1F)C1CCCC1 853256013 KRJMRCADYIRVRZ-AWEZNQCLSA-N 268.307 3.568 30 20 CHED C=CCC(C)(C)CNC(=O)CCC[C@H](O)c1ccccc1 854646623 GUZOWWWPSNTZDH-INIZCTEOSA-N 289.419 3.609 30 20 CHED C=CCC1(NC(=O)c2cc(C#N)ccc2F)CCCCC1 854847310 XPNGYBZDSLZSEX-UHFFFAOYSA-N 286.350 3.706 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNc1ncc(Cl)cn1 857223684 XIKJNOQPECEWMT-VIFPVBQESA-N 266.776 3.744 30 20 CHED C[C@]1(C(=O)OCc2cccc(C#N)c2F)C[C@H]2CC[C@H]1C2 860188741 CUTJBVOGENLRTM-YLVFBTJISA-N 287.334 3.567 30 20 CHED CCCCCCCNC(=O)Nc1nnc(C2CC2)s1 860267413 OYBJUPPNQONCHO-UHFFFAOYSA-N 282.413 3.507 30 20 CHED C#CCOc1ccccc1[C@H](C)OC(=O)C(C#N)(CC)CC 860533783 WVSDSAAYXKAZKT-AWEZNQCLSA-N 299.370 3.633 30 20 CHED C=C(C)C[C@@H](NCc1cc2cccc(CC)c2o1)C(=O)O 864529263 GCQDUAXSWPDGAU-OAHLLOKOSA-N 287.359 3.504 30 20 CHED C/C(=C/C1CCC(C)CC1)C(=O)N1CCC(CC#N)CC1 867312229 AIRORISAGSCFDQ-SQFISAMPSA-N 288.435 3.911 30 20 CHED CC(C)(C)SCCCOC(=O)[C@@]1(C#N)CC12CCCC2 869530238 LNMLMNXJJWABSE-INIZCTEOSA-N 295.448 3.925 30 20 CHED CC(C)(C)SCCCN1CCC[C@@H](CC#N)C1 878886596 MSZQZRHPBOMMAY-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](CF)C2)CCCCC1 881602615 AGVDFGJYKMFAEH-AWEZNQCLSA-N 267.388 3.721 30 20 CHED Cc1nc(C#N)cc(N[C@H](c2ccccc2C)C2CC2)n1 881976831 DMTQQSJOLKANEF-KRWDZBQOSA-N 278.359 3.528 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2nncs2)cc1 890351251 LZWLHIRBQIGFNT-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=C1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1 895414357 CBHGUWUTDMRGRZ-UHFFFAOYSA-N 282.387 3.573 30 20 CHED C=C1CC(c2noc(C[C@H](CC#N)c3ccccc3)n2)C1 896878327 XTCHKQIKDJFTDM-AWEZNQCLSA-N 279.343 3.743 30 20 CHED N#Cc1sc(N[C@@H](c2ccncc2)C2CC2)nc1Cl 897424243 YVRSRGCMUKDQQE-LLVKDONJSA-N 290.779 3.626 30 20 CHED CC[C@H](NCC1(C#N)CC1)c1cc(Cl)ccc1OC 903106894 YCIGGDFGORKVNU-ZDUSSCGKSA-N 278.783 3.693 30 20 CHED C=CCC(F)(F)C(=O)N(c1nc2ccccc2o1)C1CC1 905871008 VXKJWXAPURIBAS-UHFFFAOYSA-N 292.285 3.535 30 20 CHED C=CCC[C@@H](C(=O)N=[S@@](C)(=O)C(C)C)c1ccccc1 906196246 TVTKNVCKCHEVDG-QRWLVFNGSA-N 293.432 3.769 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(C)c1Cl 906870204 KVPPWGTUKJYALD-FZMZJTMJSA-N 279.767 3.568 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCCc2c1cnn2C 914860984 IPAQMBHQVFMYNE-HNNXBMFYSA-N 291.439 3.664 30 20 CHED CC(=NNCc1ccccc1)c1ccccc1Cl 916344144 OMQUZAVZSUROPQ-UHFFFAOYSA-N 258.752 3.854 30 20 CHED Cc1cccc(NN=Cc2ccc(-n3ccnc3)cc2)c1 917022476 DKDAHTZVNZZJOF-UHFFFAOYSA-N 276.343 3.627 30 20 CHED C=CCOc1ccc(C(=O)OCC/C=C/CC)cc1OC 918507302 KAZCEDDLAKMYMW-VOTSOKGWSA-N 290.359 3.773 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1ccc(Cl)cc1 920401027 QILAGMJIPBBXPU-UHFFFAOYSA-N 291.782 3.746 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc(F)cc1)C2=O 921264383 SKRLOONYDAHNNV-NTEUORMPSA-N 252.288 3.957 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(C(C)(C)O)cc1 926426424 DTHMWVWLWVNWQU-AWEZNQCLSA-N 288.435 3.895 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2cc(Cl)ccc2C1 935610029 MBJMOEMRLXCDLU-GFCCVEGCSA-N 277.795 3.827 30 20 CHED C=CCC1(C(=O)Nc2cnn(CCC)c2)CCCCC1 1117753057 YWJAFWODILLBMD-UHFFFAOYSA-N 275.396 3.758 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc(OCC#N)c1 1117827054 RIEPFZYRVVKIBL-OAHLLOKOSA-N 272.392 3.813 30 20 CHED CN(C)c1ccc(CSCC2(CC#N)CC2)cc1 1118538757 ZFEJOJXFGAWAAS-UHFFFAOYSA-N 260.406 3.680 30 20 CHED C=C(C)CCC(=O)Nc1c(Cl)ccc(C(=O)OC)c1C 1121101704 AZRVDPADVPTOBO-UHFFFAOYSA-N 295.766 3.730 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CC[C@@H](C)C[C@H]1C 1121655584 HUENLIXAPZEAPE-JHJVBQTASA-N 294.468 3.513 30 20 CHED N#CCc1ccc(NC(=O)c2nsc3ccccc23)cc1 1124480928 BGINSBLUMRYZBB-UHFFFAOYSA-N 293.351 3.615 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)CCc1ccc(C#N)cc1 1129318514 XQSSAOQYMPGYKU-MSOLQXFVSA-N 298.430 3.823 30 20 CHED Cc1nc(C#N)cc(N[C@@H](c2ccc(F)cc2)C(C)(C)C)n1 1162823433 KREAGTWRTNFHEG-INIZCTEOSA-N 298.365 3.995 30 20 CHED N#Cc1ccc(NC(=O)NCC2CCCCCC2)cc1 1184772249 RUWCSWWZVKMUFT-UHFFFAOYSA-N 271.364 3.650 30 20 CHED N#Cc1cncc(NC[C@H]2CCCC[C@H]2c2ccccc2)n1 1186450845 GCVUPOFZCUOWFG-WBVHZDCISA-N 292.386 3.734 30 20 CHED C=C(C)Cn1c([C@@H](C)SC)nnc1N1CC[C@H](CC)C1 1263327805 VMLJFUWGIKNFRY-OLZOCXBDSA-N 294.468 3.515 30 20 CHED CCC[C@H](C(=O)O[C@@H](CC#N)c1ccco1)C(C)C 1263660562 JMHDASHOZXOJCZ-JSGCOSHPSA-N 263.337 3.850 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCC[C@H]2c2ccccc2)nn1 1307119460 HODQWVRQQLSEBB-RDJZCZTQSA-N 292.386 3.734 30 20 CHED COc1cc(F)cc(NC(=O)Nc2cc(C)cc(C#N)c2)c1 1310871734 DTVBMAMNGHUIAF-UHFFFAOYSA-N 299.305 3.658 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)CC(C)(C)C#N 1321036201 UZQARZUBDZTOFF-ILXRZTDVSA-N 278.440 3.751 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2C#N)ccc1F 1321180421 WVXGPPOOQDFHHS-CLFYSBASSA-N 281.286 3.602 30 20 CHED CC(Cc1ccc(C)cc1)=NN[C@@H](C)c1ccncc1 1325902823 HSYFQVKZEIPOFX-HNNXBMFYSA-N 267.376 3.659 30 20 CHED CN(C)c1ncccc1/C=C1\Cc2cc(Cl)ccc2C1=O 1326690388 OGRWPUXIQGEPRY-MDWZMJQESA-N 298.773 3.623 30 20 CHED CC(C)(C#N)Cc1nnc(Cc2ccc3ccccc3c2)o1 1327039399 OQVPVDOBOXPIGG-UHFFFAOYSA-N 291.354 3.906 30 20 CHED C=CCCOCCCCc1nnc(-c2ccccc2C)o1 1327796563 QEHBBAXITFIOKM-UHFFFAOYSA-N 286.375 3.960 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1 1336238098 IYRUDXRHFJMSKP-AWEZNQCLSA-N 288.778 3.782 30 20 CHED C=C[C@H](CC)CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 1346148392 SZHUAKDYGHGBCJ-PWSUYJOCSA-N 296.292 3.879 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N(C)C[C@H]1CC=CCC1 1346270177 QSXUOMBUOULWLM-LBPRGKRZSA-N 296.365 3.584 30 20 CHED C=C[C@@H](C(=O)N1CCC(c2ccco2)CC1)c1ccccc1 1347315714 ALUGLPYGEQAUGC-QGZVFWFLSA-N 295.382 3.955 30 20 CHED CC(C)[C@@H](C)C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1349760853 ULSRJIYZDLWTGI-ZJUUUORDSA-N 289.766 3.685 30 20 CHED C[C@@H]1CCC[C@@H](Nc2nc(C#N)c(Cl)s2)[C@@H]1C 1458064948 OSXPXCKKVHQANA-IWSPIJDZSA-N 269.801 3.905 30 20 CHED Cc1cc(N2CC3(CCCC3)[C@@H]2C(C)C)ncc1C#N 1458430625 FNBPEFLPZVNMCB-INIZCTEOSA-N 269.392 3.667 30 20 CHED Cc1nc(N[C@@H](C)COCC2CCCCC2)ccc1C#N 1458623413 RDKWSCVJEJFKJJ-ZDUSSCGKSA-N 287.407 3.659 30 20 CHED C[C@@H]1CCCC[C@H]1CN1CCN(c2ccccc2C#N)CC1 1459412941 LXJMEGBZHOPMBT-AEFFLSMTSA-N 297.446 3.507 30 20 CHED N#CC1(CCN2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)CCCCC1 1460165838 LMJNWCLQJQDTEM-MWDXBVQZSA-N 272.436 3.828 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)[C@@H](C#N)c1nccn1C 1515836422 KTKHKYFWOOCSCS-LSDHHAIUSA-N 287.407 3.593 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1c(C)cccc1OC 1520259286 YAINWDUVXTUWAK-AWEZNQCLSA-N 288.391 3.966 30 20 CHED N#C[C@H](C(=O)c1sccc1C1CC1)c1cccc(F)n1 1524695806 KDAGHJPLXBTDNN-NSHDSACASA-N 286.331 3.650 30 20 CHED C=CC[C@H](CC)N[C@H](CC)c1ccc(C(=O)O)cc1 1588736255 VNCIYLRRKNVFSU-LSDHHAIUSA-N 261.365 3.780 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CC[C@H](C(=O)O)C1 1595705364 XYDXHZSWDATIHN-WOLCWHLNSA-N 295.423 3.616 30 20 CHED N#CC1(CCN(CC(=O)O)C2CCCCC2)CCCCC1 1608175010 LDLBCEICMNIKNA-UHFFFAOYSA-N 292.423 3.570 30 20 CHED Cc1c(C(=O)/C=C\c2ccoc2C(=O)O)oc2ccccc12 1610407453 YXDIXPGVPUTZLQ-SREVYHEPSA-N 296.278 3.929 30 20 CHED CC(C)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H]1C(C)C 1612378520 SWWVNUXTLAVVIS-XHDPSFHLSA-N 277.799 3.723 30 20 CHED COC(=O)c1ccc(SCc2ccc(C#N)s2)cc1 1640842003 MKUQVWNCQMNJJB-UHFFFAOYSA-N 289.381 3.699 30 20 CHED Cc1cc(C)nc(SCC(=O)[C@H](C#N)c2ccccc2)c1 1641063271 URLFARHZMUAJPP-OAHLLOKOSA-N 296.395 3.667 30 20 CHED N#Cc1nc(Oc2cc(F)cc(F)c2)sc1Cl 1642189148 UGIUIDGMFQKSBP-UHFFFAOYSA-N 272.663 3.739 30 20 CHED CCN(Cc1ccc(Cl)cc1C#N)[C@H](C)C(F)(F)F 1644007594 SRJJOJCALLFUQX-SECBINFHSA-N 290.716 3.984 30 20 CHED N#Cc1cccc(Br)c1N1CC2(CCCC2)C1 1651772806 NDESKKVOESYLPN-UHFFFAOYSA-N 291.192 3.701 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1Cc1cccc(C#N)n1 1658197882 UVTSOXABSZPZHA-ZRGWGRIASA-N 291.398 3.720 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1sccc1C#N 1663159299 HVCZTIABOBURTE-JQWIXIFHSA-N 291.420 3.956 30 20 CHED C=C(Cn1c(C)nnc1N(C)CC(C)(C)C)c1ccccc1 1690321729 JPZYHLYLDCLVFD-UHFFFAOYSA-N 298.434 3.782 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc(C3(C(=O)O)CC3)cc2)C1 1776165170 YUSITFKHKWODAU-HNNXBMFYSA-N 299.414 3.591 30 20 CHED C=CCCCN(C)c1c(C(=O)O)cnc2ccc(C)cc12 1776207655 AWKJFKJGZUYDMZ-UHFFFAOYSA-N 284.359 3.644 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(C(=O)O)c2)ccc1C 1777289681 XFZVXEIESSHNNC-HJWRWDBZSA-N 296.322 3.598 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1C 6340744 OJNJRCOBJIJNQV-UXBLZVDNSA-N 280.323 3.898 30 20 CHED C[C@@H]1CCc2sc(C(=O)Nc3cccc(C#N)c3)cc2C1 7265462 RJDJLRWSADNVSN-LLVKDONJSA-N 296.395 3.997 30 20 CHED Cc1ccc(C)c(Oc2ccc(C#N)cc2[N+](=O)[O-])c1 18055088 FHHOJWQMHPTKJH-UHFFFAOYSA-N 268.272 3.876 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)Cc2ccsc2)cc1 29150624 OUGKVDRXZMMXBR-UHFFFAOYSA-N 284.384 3.730 30 20 CHED C=CCNC(=O)c1ccc(NCc2ccc(C)cc2)cc1 37783526 ABMBBBKYGCGIKP-UHFFFAOYSA-N 280.371 3.523 30 20 CHED CC(C)CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 41559012 IAWBPBJABLHXGJ-JTQLQIEISA-N 291.301 3.654 30 20 CHED C=C(C)CN(CC)C(=O)CCOc1ccc(F)cc1Cl 44464490 JLHPPAPRNIFCAG-UHFFFAOYSA-N 299.773 3.673 30 20 CHED N#Cc1cccc(CNC(=O)CCC2CCCCC2)c1 45213995 NAUICBYMAPXZPH-UHFFFAOYSA-N 270.376 3.535 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C#N)ccc1F 45796831 UXAORLCEDSONOR-UHFFFAOYSA-N 280.346 3.886 30 20 CHED CCCc1nc(CN(C)Cc2ccc(C#N)cc2)cs1 46856742 IERCSXDUISQIHT-UHFFFAOYSA-N 285.416 3.599 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1cccs1 48625053 LWFZNZJJGJDCHE-HWKANZROSA-N 256.326 3.579 30 20 CHED COc1cccc(NC(=O)Nc2cc(C#N)ccc2C)c1 50436288 NTUDHVSWBVVMOE-UHFFFAOYSA-N 281.315 3.519 30 20 CHED N#C[C@H](NC(=O)C1CCCCCC1)C1CCCCC1 53714570 DTZGLWYHPGJRAT-HNNXBMFYSA-N 262.397 3.545 30 20 CHED C=CCN(CC=C)C(=O)Cc1coc2cc3c(cc12)CCC3 58044984 VGGNRVCVPADZFN-UHFFFAOYSA-N 295.382 3.665 30 20 CHED O=C(/C=C/C1=Cc2ccccc2OC1)c1cccs1 60330715 CKCWQCLZANQHBI-BQYQJAHWSA-N 268.337 3.963 30 20 CHED N#Cc1c(F)cccc1NCCc1c[nH]c2cc(F)ccc12 65230585 IRDGIIGMCZPTGX-UHFFFAOYSA-N 297.308 3.972 30 20 CHED CC1(C)CC[C@@H](NC(=O)C2(C#N)CCCC2)c2ccccc21 69004417 UGYUUKTZLBIYEN-MRXNPFEDSA-N 296.414 3.999 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1F 69267759 XJBNFACVGCXHGJ-MRXNPFEDSA-N 282.318 3.578 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)CCO1 70348183 CTFJHCAYHIOGBX-DZGCQCFKSA-N 278.783 3.827 30 20 CHED N#CCc1cccc(C(=O)Nc2cc(F)ccc2Cl)c1 76178774 WCUKKUHGDOWTFJ-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(OCCC)cc1 79182581 QHWIDNZCCLILNG-UHFFFAOYSA-N 290.407 3.583 30 20 CHED N#Cc1cccc(CNCc2coc3ccccc23)c1 83601915 ONZPUDLGOPUSLK-UHFFFAOYSA-N 262.312 3.594 30 20 CHED CC(C)c1ccc(S(=O)(=O)Cc2ccccc2C#N)cc1 84240395 BJDSQSJLOZZLAK-UHFFFAOYSA-N 299.395 3.656 30 20 CHED COc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 86036252 HHKLVLCDMGCLBO-UHFFFAOYSA-N 278.355 3.731 30 20 CHED CCN(Cc1ccc(Br)cc1C)C[C@@H](C)C#N 91984045 RGRRBSMKWOXCBR-NSHDSACASA-N 295.224 3.739 30 20 CHED CCc1nn(C)cc1/C=C1\C(=O)c2cccc(C)c2[C@H]1C 92209333 JUWMAGSNUQLLFS-ZENNRRHLSA-N 280.371 3.674 30 20 CHED Cc1cccc(C2=CCN(c3ncccc3C#N)CC2)c1 92696455 ZPSJLIFSTBDKAB-UHFFFAOYSA-N 275.355 3.555 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2C[C@H](C)CCC[C@@H]2C)cc1 93509181 CINWYWKFXCOTLP-PMPSAXMXSA-N 286.419 3.988 30 20 CHED Cc1c(C)n(C2CCCCC2)c(=S)n1CN(C)CC#N 101536612 JWNVQEYSBYJCAK-UHFFFAOYSA-N 292.452 3.554 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 102226477 WQJXKVVYOOXFCV-ZDUSSCGKSA-N 261.365 3.617 30 20 CHED CC(C)[C@H](CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 103078499 STTSDCKDRWICCP-FUHWJXTLSA-N 286.419 3.871 30 20 CHED C=CCCC(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 110559156 BEVLPZYZDQYBPH-NSHDSACASA-N 285.309 3.719 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N1CCC(C#N)CC1 114321841 IMLLUFZGYNBJHW-MRXNPFEDSA-N 276.424 3.745 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)Cc2cc(F)ccc21 114992207 OQJYVSZHNSWVDW-KPKJPENVSA-N 256.251 3.787 30 20 CHED CCOC(=O)C[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 118180251 NNIKDBGODLGQIL-NEPJUHHUSA-N 277.389 3.694 30 20 CHED C=C(C)CNCc1c(C)nn(-c2ccc(F)cc2)c1Cl 119660226 QOOMGZHFHDKNHV-UHFFFAOYSA-N 293.773 3.639 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)C1(C#N)CCC1 121099082 AYSIUQVSJLJIDU-INIZCTEOSA-N 284.403 3.892 30 20 CHED Cc1csc(C2(NCCC(C)(C)C#N)CCCC2)n1 128573029 VIACGQBTELJAKX-UHFFFAOYSA-N 277.437 3.750 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1ccnn1C)CC2 130839389 OWRWRCOMMIJROO-GDNBJRDFSA-N 280.371 3.756 30 20 CHED Cc1cccc(C)c1CNCc1ccc(C#N)s1 132131470 BKRXOSDUDKNEEF-UHFFFAOYSA-N 256.374 3.526 30 20 CHED CC(=O)c1ccc(Cl)c(NC(=O)C2(C#N)CCCC2)c1 150849533 MDPDPPVYRHYMHJ-UHFFFAOYSA-N 290.750 3.565 30 20 CHED N#CCC[C@H](NC(=O)c1cc2occc2[nH]1)c1ccccc1 154188902 FDRNFYWZOMOKTA-ZDUSSCGKSA-N 293.326 3.536 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cc2ccccc2o1 154288573 AHCQQKVOPZADDH-CYBMUJFWSA-N 257.289 3.528 30 20 CHED C=CCCCCCN(C)C(=O)c1sc(C)cc1OC 156861985 XXBXLRHUIKZPPA-UHFFFAOYSA-N 281.421 3.884 30 20 CHED CC(C)[C@@H](Sc1cccc(C#N)c1)C(=O)NC(C)(C)C 158775978 FXQLMSYJOAEYLK-CQSZACIVSA-N 290.432 3.590 30 20 CHED C=CCN(C)C(=O)Cc1csc2ccc(Cl)cc12 161558441 PAVGWQBPGSHDPP-UHFFFAOYSA-N 279.792 3.742 30 20 CHED C=C(C)COCCN[C@@H]1CCCC[C@@H]1c1ccccc1 163516249 RBELZJPGJUJTTC-QZTJIDSGSA-N 273.420 3.895 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)C1CC1 175321741 LWPFZBZJFYIIGK-PRHODGIISA-N 297.185 3.720 30 20 CHED C=CCCCC(=O)Nc1ccc(OCCOC)c(Cl)c1 175396145 QQNSDMOZOFPKAC-UHFFFAOYSA-N 297.782 3.660 30 20 CHED Cc1csc(-c2cccc(C(=O)O[C@@H](C#N)C3CC3)c2)n1 177015300 WHNRMOYZEHONFU-AWEZNQCLSA-N 298.367 3.578 30 20 CHED CCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 177254122 PNYGMJDEDJAAHH-UHFFFAOYSA-N 267.294 3.541 30 20 CHED CCCC[C@@H](CCC)NC(=O)CCc1ccc(C#N)cc1 177289363 BQRIWCCENUZBPG-QGZVFWFLSA-N 286.419 3.966 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccc(C)cc1F 177865711 MBYPUVPGCHPHNV-NSHDSACASA-N 267.369 3.770 30 20 CHED CCOc1ccccc1C[S@@](=O)CCCC(C)(C)C#N 177924811 OUJYTMGRGLEGSX-FQEVSTJZSA-N 293.432 3.664 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1CCCCCC1 178532863 KYPNOMUWQHAVCH-UHFFFAOYSA-N 271.364 3.711 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](c1ccccc1)C1CC1 179687192 MFZQUFKICMGGNR-GOSISDBHSA-N 290.366 3.999 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(OCC(C)C)cc2)cnn1C 179852323 KHSUNAXGDVZRMX-JXMROGBWSA-N 298.386 3.659 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cc(OC)c(OC)cc1C 180954158 LNJCDJADZFXAIT-OLZOCXBDSA-N 263.381 3.627 30 20 CHED CCOCCOc1ccc(Oc2ccc(C#N)cc2)cc1 181678933 KGJUZRMTNIXMAS-UHFFFAOYSA-N 283.327 3.766 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 182094987 YAXXCQZTHBHSRM-GBJTYRQASA-N 298.386 3.742 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)Cc1cccc(F)c1 182644389 UCHJPWWUZCXUMY-KGLIPLIRSA-N 277.383 3.865 30 20 CHED CC#CCCCC(=O)Nc1ccc2oc(C3CC3)nc2c1 185303733 VNIZOXTYZUKGIU-UHFFFAOYSA-N 282.343 3.837 30 20 CHED C#CCC(C)(C)C(=O)N1CCCC2(CCCCCC2)C1 185711860 SCGCQFSDMOWSEO-UHFFFAOYSA-N 275.436 3.999 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cc(Br)cs2)C1 185783885 JZHIOKGYHIYQKK-GXSJLCMTSA-N 299.237 3.683 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cc(Br)cs2)C1 185783903 JZHIOKGYHIYQKK-ONGXEEELSA-N 299.237 3.683 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)N(CCC#N)CC(C)(C)C 185940707 GAUINQXEEFUIOJ-UONOGXRCSA-N 264.413 3.601 30 20 CHED C=CC[C@@H](C)NC(=O)C1(Cc2cccc(F)c2)CCC1 185947319 YFPZASVUBGNYBO-CYBMUJFWSA-N 275.367 3.619 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(CC)nc1C 186040401 ZKMVQYGAQGVUID-UHFFFAOYSA-N 274.408 3.771 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(OC)c1 186245459 PMQCTTVXYYCVAM-LBPRGKRZSA-N 292.379 3.569 30 20 CHED N#CCCCCN[C@@H]1CC[C@@H](Cc2ccccc2)C1 189142024 NSXSRNXZMYWEHJ-DLBZAZTESA-N 256.393 3.681 30 20 CHED Cc1c([C@H](C)OC(=O)CSCC#N)oc2ccccc12 190454268 WGROVTOWSORHMH-NSHDSACASA-N 289.356 3.602 30 20 CHED C=C[C@@H](CC(=O)N1CCSC[C@H](C)C1)c1ccccc1 191330798 RBOIXSIAYRZXIT-CABCVRRESA-N 289.444 3.558 30 20 CHED C=CCCCCCN1CC[C@H](C)[C@@H](n2ccnc2)C1 193438936 MERCNFSJYZNGJG-HOTGVXAUSA-N 261.413 3.512 30 20 CHED C=CCn1c(C)nnc1SCc1cc(C)sc1C 194319575 IDFKXYQEIPZZMQ-UHFFFAOYSA-N 279.434 3.743 30 20 CHED Cc1cc2cc(NC(=O)Cc3ccc(C#N)cc3)ccc2[nH]1 194855350 TUAUVEUTMOYFET-UHFFFAOYSA-N 289.338 3.529 30 20 CHED O=C(/C=C\c1ccccc1Cl)c1ccc(O)cc1O 215808143 HUJPOSGMEWSBGX-YVMONPNESA-N 274.703 3.647 30 20 CHED Cc1c(CNc2ccc(C#N)cc2)n(C)c2ccccc12 227516931 ZTXBQFMZTFHKNZ-UHFFFAOYSA-N 275.355 3.971 30 20 CHED C#CCCCCNC(=O)Nc1cc(Cl)cc(Cl)c1 229742669 DNYGMGWEIOURDO-UHFFFAOYSA-N 285.174 3.918 30 20 CHED C#CCOc1ccccc1CNCc1ccc(C)cc1C 237749876 BGNINBWQHPYTNQ-UHFFFAOYSA-N 279.383 3.605 30 20 CHED COc1ccc([C@H](N[C@H]2CCC[C@@H](C#N)C2)C2CC2)cc1 248842110 NUYJGMOMVYJJLF-RPVQJOFSSA-N 284.403 3.818 30 20 CHED Cc1ccsc1C=N/N=C(\S)Nc1ccccc1 254588965 KFSVWNNWIPKEBU-UHFFFAOYSA-N 275.402 3.788 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1cncc(F)c1 255161561 VLNFSNWSXYFOGM-FPLPWBNLSA-N 285.318 3.904 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cnn(C(C)C)c2)c1 255165437 ZZFDNMJXBFQINR-WAYWQWQTSA-N 268.360 3.977 30 20 CHED CCc1cccc2c(/C=C\C(=O)c3cnn(CC)c3)c[nH]c12 255354583 KUJRRYACUXSHLK-HJWRWDBZSA-N 293.370 3.843 30 20 CHED Cc1cc(C)c(CON=Cc2ccc([N+](=O)[O-])o2)c(C)c1 255694045 MOTDSURDFYTRHB-UHFFFAOYSA-N 288.303 3.664 30 20 CHED Cc1ccc(-c2cnn(CCC(C)(C)C#N)c2)cc1 266241929 MHWABITZJSSKIX-UHFFFAOYSA-N 253.349 3.798 30 20 CHED C[C@@H](C(=O)NCCCCC#N)c1ccc(Cl)c(Cl)c1 266856059 FGZOPQZECLHTKA-SNVBAGLBSA-N 299.201 3.907 30 20 CHED Cc1ccccc1[C@H]1CCCN1c1ccc(C#N)nc1 267337241 CRTCEXLIVRTEAI-QGZVFWFLSA-N 263.344 3.603 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 271666129 FNAHCDLZSLYYQU-STQMWFEESA-N 272.392 3.577 30 20 CHED COc1ccccc1CCN[C@@H](C)c1ccc(C#N)c(F)c1 271960216 UBCOHTTXPIQYAJ-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@H](CC1CCC1)c1ccccc1 272586703 NIJXLTGWIQFHTH-WMLDXEAASA-N 299.418 3.719 30 20 CHED C#CCCCN[C@H](CC)c1nc(C(F)(F)F)cs1 273339668 WHCXEZZDSLODSJ-SECBINFHSA-N 276.327 3.616 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(C(F)(F)F)cn1 277723512 NMWGZDKWEKLDTM-UHFFFAOYSA-N 299.340 3.862 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)CC(C)(C)C#N 278555670 OYCFLVRTFURABA-HNNXBMFYSA-N 272.392 3.926 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(Cl)cn1 281259021 QMLUBGKPDPSVEU-QMTHXVAHSA-N 266.772 3.515 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C(C)(F)F 292881096 DXQLZWDJGKABKI-GFCCVEGCSA-N 294.345 3.587 30 20 CHED CSc1ccccc1CN(C)[C@@H]1CC[C@H](C#N)C1 294076861 KZZJCHTXVMUTKJ-GXTWGEPZSA-N 260.406 3.533 30 20 CHED C[C@H]1C[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)CC[C@H]1C 294567672 ZSRAOAHNMADFIY-KEYYUXOJSA-N 284.403 3.589 30 20 CHED Cc1ccc(Nc2ccc(C#N)cn2)cc1OC(F)F 301282547 KPCJVYCVJDBPQF-UHFFFAOYSA-N 275.258 3.607 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](CCC(C)C)C(C)(C)C 303637611 QCENOBISFMLCDL-GJZGRUSLSA-N 283.456 3.935 30 20 CHED COc1ccc(N/C(N)=N/CC2CCC(C)(C)CC2)cc1 305695264 OERYVYRNHYXUKN-UHFFFAOYSA-N 289.423 3.638 30 20 CHED Cc1ccc(Nc2nc(C)c(C#N)cc2Cl)cc1 311117111 NTJYTRKZOZFZRQ-UHFFFAOYSA-N 257.724 3.967 30 20 CHED N#CCc1cccc(NC[C@@H]2CCCCC2(F)F)c1 313429428 QMQBKQIAJBEBSH-ZDUSSCGKSA-N 264.319 3.990 30 20 CHED N#CC1(c2ccccc2)CC(Nc2ccc3c(c2)CCO3)C1 315960845 VXSIBQXWLKCVJM-UHFFFAOYSA-N 290.366 3.657 30 20 CHED C=CCCCCNc1ncnc2c1cnn2-c1ccccc1 319046070 DOXZUDDSDHIMGR-UHFFFAOYSA-N 293.374 3.584 30 20 CHED CO[C@H]1CCCC[C@@H]1/N=C(/O)c1coc(C2CCCC2)n1 328791831 MIFWPUGFBCUJNQ-JSGCOSHPSA-N 292.379 3.594 30 20 CHED Cc1cc2c[nH]nc2cc1N=C(O)[C@H]1CCCSC1 329571057 MPDOCJAUPHFLBK-JTQLQIEISA-N 275.377 3.603 30 20 CHED N#CC[C@H](C/C(O)=N/[C@@H]1CCCOCC1)c1ccccc1 330009127 HCTJLASFZHWIMS-HZPDHXFCSA-N 286.375 3.600 30 20 CHED OC1=N[C@@H](/C(O)=N/[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 330212503 KHMSJJMNQQLXKZ-RBSFLKMASA-N 286.375 3.788 30 20 CHED OC1=Nc2cc(N=C(O)N3CC[C@@H]4CCC[C@H]43)ccc2CC1 330274280 JVQNKFKYBHLOHL-SWLSCSKDSA-N 299.374 3.641 30 20 CHED CC[C@@H](CC#N)/N=C(/O)c1sccc1C(C)C 330876653 KCASKHXLLFKQJD-JTQLQIEISA-N 250.367 3.868 30 20 CHED CC[C@H](C)[C@@](C)(O)C/N=C(/O)c1ccoc1C(C)C 331095750 LRLFDRHEKMICAN-NHYWBVRUSA-N 267.369 3.505 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccsc1 334281653 HOFUAWKUVCBCDE-INIZCTEOSA-N 268.385 3.787 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2C)c(C2CC2)n1 334564171 UNXGNLSSKJYEQV-UHFFFAOYSA-N 291.354 3.700 30 20 CHED CC1(C)CN(C(=O)Nc2cccc(CC#N)c2)[C@H]2CCC[C@H]21 335577757 FUQDRKZPBSUFNR-CVEARBPZSA-N 297.402 3.795 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1F 335801698 MVJSRFKSCOXIBU-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1C 336100388 HKPQENIMZQQQCC-ZDUSSCGKSA-N 262.328 3.707 30 20 CHED Cc1cc(C(F)(F)F)nc(Oc2ccc(C#N)cc2F)n1 336506122 CMEULYNBZOLZCQ-UHFFFAOYSA-N 297.211 3.607 30 20 CHED Cc1nc(COc2cc(Cl)ccc2C#N)c(C)s1 337657278 GMIHSNPBKABSCM-UHFFFAOYSA-N 278.764 3.864 30 20 CHED C[C@H](CC(=O)N(C)c1ccccc1C#N)c1cccc(F)c1 337886686 WMFPNUXBIMRKLG-CYBMUJFWSA-N 296.345 3.854 30 20 CHED CC#CCCSCc1ccc(C(F)(F)F)cn1 340614191 BBXVDKPDLHBKEJ-UHFFFAOYSA-N 259.296 3.747 30 20 CHED Cc1nc(C(=O)N[C@@H]2CCC[C@H]2CCC(C)C)ccc1C#N 340630237 GFAUJKUKGXHYAY-GOEBONIOSA-N 299.418 3.596 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1F 341756209 DEOXBCHEJRNXJM-SFHVURJKSA-N 280.346 3.865 30 20 CHED N#CC1(CSC[C@H]2CCC3(CCCCC3)O2)CC1 342138952 UYKYGTIUSNUUQO-CYBMUJFWSA-N 265.422 3.905 30 20 CHED Cc1ccc([S@](=O)Cc2ccc(CC#N)cc2)c(C)c1 342152809 YRVURSJTJNTDQN-HXUWFJFHSA-N 283.396 3.677 30 20 CHED CC(C)(NCC1(C#N)CC1)c1ccccc1Br 343583047 RKOFZXCNOZUUIS-UHFFFAOYSA-N 293.208 3.578 30 20 CHED CC[C@H](NCCc1cccc(C#N)c1)c1ccc(C#N)cc1 343595376 JVNYYGSUUHCXRD-IBGZPJMESA-N 289.382 3.713 30 20 CHED CCO[C@@H](CCN[C@H](C)c1ccc(C#N)c(F)c1)C(C)C 346228560 ZAFVQFJZSDPNSX-DYVFJYSZSA-N 292.398 3.799 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(N(CC)C(C)C)cc1 347580009 MGMAZQRWLUWDOR-UHFFFAOYSA-N 286.419 3.736 30 20 CHED C=CCn1c(CCCC)nnc1N1CC2(CCC2)C[C@H]1C 350751609 GKNYFCSQVYMXAT-CQSZACIVSA-N 288.439 3.576 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCCc2ccc(F)cc21 352338607 UBPUBQWVLAEIOZ-OAHLLOKOSA-N 275.367 3.922 30 20 CHED CCOc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 353410270 GUEZFXZBURSIJE-LJQANCHMSA-N 292.382 3.734 30 20 CHED Cc1ccccc1NC(=O)Nc1ccc(C#N)c(F)c1 353510820 NWTBIPOBDOQOEF-UHFFFAOYSA-N 269.279 3.650 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1sccc1C#N)C2 353606102 SYAKKBHTWHREKR-MKBNYLNASA-N 288.416 3.564 30 20 CHED CC[C@H](CC#N)NC(=O)c1sc2cc(F)ccc2c1C 356051731 BSBJKIKARXLUFX-LLVKDONJSA-N 290.363 3.771 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2cccc(OCC)c2)CC1 356696300 IKEAXELHSYXZQH-DLBZAZTESA-N 299.414 3.804 30 20 CHED COc1ccsc1CNc1ccc(Cl)c(C#N)c1 357209505 XYXXYZQIYPAVPZ-UHFFFAOYSA-N 278.764 3.894 30 20 CHED C=CCN(C(=O)CC[C@@H](C)SC)c1ccccc1 358919590 NGKOCGYAEWPHGI-CYBMUJFWSA-N 263.406 3.737 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCCC#N)CC2 360646440 LHDBEAGPKQYECJ-INIZCTEOSA-N 270.376 3.607 30 20 CHED C[C@@H](Sc1ccc(C#N)cn1)c1ccccc1[N+](=O)[O-] 361448417 DLYNPAFWUGPFRK-SNVBAGLBSA-N 285.328 3.715 30 20 CHED CCCCCCCC(=O)N1CCCC[C@H](COC)C1 364122701 WILWFYDZLKNMEF-HNNXBMFYSA-N 269.429 3.622 30 20 CHED C#CCCCC(=O)N1CCC(Cc2ccc(C)cc2)CC1 372994409 DCBPKALPNVGZBN-UHFFFAOYSA-N 283.415 3.580 30 20 CHED Cc1sccc1CNc1cccc(OCC#N)c1 381335790 JEZOAMDLHXYEKI-UHFFFAOYSA-N 258.346 3.571 30 20 CHED CC(C)[C@H]1CCCCN1Cc1ccc(CC#N)cc1 399263644 RBUYOFZXKPAVKG-QGZVFWFLSA-N 256.393 3.763 30 20 CHED Cc1cc(CNc2ccc(CC#N)cc2)cc(Cl)n1 401826059 LTWCFGZRQJKKPE-UHFFFAOYSA-N 271.751 3.722 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1F 403978013 DYYAXQVOLYCHIO-YOEHRIQHSA-N 272.367 3.852 30 20 CHED C[C@H]1CC[C@@H](C)N(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 410535556 TVRCKQLHRIEWJA-LSDHHAIUSA-N 298.430 3.774 30 20 CHED C[C@@H](CCC#N)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 411767716 OJJZRMIEEYXESX-NHYWBVRUSA-N 282.309 3.528 30 20 CHED N#Cc1cnc(N[C@H](Cc2ccccc2)C2CC2)c(F)c1 413154967 LOTYHJNMSJBCES-MRXNPFEDSA-N 281.334 3.526 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416111805 VCRLNDLCWUTZBO-WMZOPIPTSA-N 282.387 3.654 30 20 CHED N#CC1(COc2ccc(Oc3ccccn3)cc2)CCC1 418817440 AVOISQLPDJBJLP-UHFFFAOYSA-N 280.327 3.947 30 20 CHED CC1(C)[C@@H](OCc2ccccc2)C[C@H]1N[C@@H]1CC[C@H](C#N)C1 424334433 VNHHWFDVPZDTTQ-MLHJIOFPSA-N 298.430 3.652 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1c[nH]c2cc(F)ccc12 424629888 OZWXRBWRUQZVRE-UHFFFAOYSA-N 288.366 3.568 30 20 CHED CC(C)c1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)no1 425136344 WSTHIXJTXPBPHR-GFCCVEGCSA-N 297.358 3.503 30 20 CHED Cc1ccncc1CCCN(C)[C@@H](C)c1cccc(C#N)c1 425364423 GJSBBBUDFILLIB-INIZCTEOSA-N 293.414 3.887 30 20 CHED C=CC[C@H]1N(C(=O)N[C@@H](C)C(F)(F)F)CCCC1(C)C 425681199 GQCOJBONJHUMRN-WDEREUQCSA-N 292.345 3.714 30 20 CHED Cc1cccc2c1CN(c1ccc(C#N)cc1F)CC2 428668308 ZHKUMKCGAMVYBG-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=CCN(CCC#N)Cc1cc(Cl)ccc1Cl 428852830 WMXCPOPHXHLEQI-UHFFFAOYSA-N 269.175 3.895 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1c(F)cc(F)c(F)c1F 430743074 NRWGFFRUZYTNDB-RKDXNWHRSA-N 275.289 3.933 30 20 CHED Cc1cc(CN2CCSC(C)(C)CC2)ccc1C#N 434666521 SYZYLHADZXRZNP-UHFFFAOYSA-N 274.433 3.584 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CC[C@@H](C#N)C1 442708449 JFGMRHNSBXOIJH-IPYPFGDCSA-N 272.392 3.883 30 20 CHED C=C[C@](C)(CC)c1nc(COc2cccc(F)c2)no1 443103787 CANARZWQEKDNIU-OAHLLOKOSA-N 276.311 3.641 30 20 CHED CC(C)C[C@@]1(CO)CCCN1CCCCC(C)(C)C#N 444717164 RGSXUAOBKZCYLD-QGZVFWFLSA-N 280.456 3.579 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H](C)CC2CC2)CCCC1(C)C 444975310 LJRAELWRVFJXDP-HIFRSBDPSA-N 278.440 3.951 30 20 CHED Cc1cc(C)c(C#N)c(N2CCCCC(C)(C)C2)n1 445665659 QVRLLSYMNNICFL-UHFFFAOYSA-N 257.381 3.587 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 448766287 YYKHFRDPGQYPCW-IJEWVQPXSA-N 287.378 3.777 30 20 CHED C=CCCCC[C@@H](C)NCc1nc(-c2ccccc2)no1 449253168 USSQPDBMHDECFR-CQSZACIVSA-N 285.391 3.961 30 20 CHED C=CC(C)(C)CNCc1nc2ccc(F)cc2s1 449485773 OTYDCBVZAKDVSD-UHFFFAOYSA-N 264.369 3.737 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 450276481 PASHLGLTBUBKRT-CQSZACIVSA-N 293.794 3.532 30 20 CHED CC(C)[C@@H](Nc1nccc(C#N)n1)c1ccccc1Cl 450330476 JABVRNGRACCKSF-CQSZACIVSA-N 286.766 3.811 30 20 CHED COc1cc(C(C)=O)ccc1SCC1(C#N)CCC1 450892163 MSDIRRSBDYWYCJ-UHFFFAOYSA-N 275.373 3.684 30 20 CHED C=C(C)CCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 451015061 KHGCEIJREDMJRZ-INIZCTEOSA-N 269.392 3.974 30 20 CHED CCC(C)(C)c1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1 451313051 LSBCUIVSXDETPZ-YVEFUNNKSA-N 270.376 3.862 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCCc1cccc(C#N)c1 451426362 HUMJFTXLMZZTFR-KRWDZBQOSA-N 286.419 3.679 30 20 CHED C=CCCc1noc(CCSc2ccc(C)cc2)n1 453246452 JSQPFYRMUGAGCC-UHFFFAOYSA-N 274.389 3.831 30 20 CHED C=C(C)CCNC(=O)C(CC)(CC)c1ccccc1 456120104 KIBGUODMNATUGF-UHFFFAOYSA-N 259.393 3.827 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H](C)n3ccnc32)CCCCC1 456417581 KRFVGFOHXKLUFZ-KBPBESRZSA-N 287.407 3.532 30 20 CHED C=CCC1(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)CCC1 456979038 JPMYLPMZNIVVHG-JYYAWHABSA-N 273.420 3.627 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)NCC(C)(C)CCC#N 458761775 INVKGYKKZOBSJI-GJZGRUSLSA-N 293.455 3.638 30 20 CHED C=CC(C)(C)CNC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 458992875 WVEGECCLNPQCRU-CHWSQXEVSA-N 266.429 3.807 30 20 CHED C[C@@H](CNCC(C)(C)CC#N)c1cc(F)cc(F)c1 459739021 YQESNNZOWHOQBV-NSHDSACASA-N 266.335 3.598 30 20 CHED CC(C)(CC#N)CNCc1cc(F)ccc1Br 459739774 ZGEHFKFUDPWWTD-UHFFFAOYSA-N 299.187 3.618 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)s1 465110526 IULVDUHOAARWMH-SNVBAGLBSA-N 275.348 3.859 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](CC)Oc1cccc(C)c1 466534937 UYGJMYKGGKQONQ-GDBMZVCRSA-N 275.392 3.623 30 20 CHED C=CCOCCCN(C)Cc1ccc2cc(OC)ccc2c1 470717404 SADCJABCIGDBER-UHFFFAOYSA-N 299.414 3.873 30 20 CHED C=CCn1c(SCC2CC2)nnc1-c1cccc(C)c1 477534649 ZEPBPDVVVCFOGX-UHFFFAOYSA-N 285.416 3.942 30 20 CHED CCCc1cccc(CN(CC#N)C2CCCC2)c1 481993296 OBIOHTJOZLDDBZ-UHFFFAOYSA-N 256.393 3.907 30 20 CHED C=C1CCN(Cc2cc(F)cc(Br)c2)CC1 482951392 UHYOMZYFNGOULI-UHFFFAOYSA-N 284.172 3.740 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@H](SCC)C2)CC1 484252446 HNRFDLKJPQWJRR-GJZGRUSLSA-N 296.480 3.658 30 20 CHED Cc1cc(CN2CCC[C@H]3CCC[C@@H]32)ccc1C#N 488442269 TWJJKYQUTIJFAU-WBVHZDCISA-N 254.377 3.631 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)c1ccc(F)c(F)c1 488876456 FYIQDQVIKFUULI-YPMHNXCESA-N 279.330 3.635 30 20 CHED C=CCCCS(=O)(=O)N(C1CC1)[C@@H](C)c1ccccc1 489890484 RDAQGADIBZBANU-AWEZNQCLSA-N 293.432 3.508 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(-c2ncco2)ccc1C 491193462 ZPRNBOGWNCNLGI-CQSZACIVSA-N 297.358 3.573 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)Cc1cccc2[nH]ccc12 494097580 HXJJCDFPISXOEJ-UHFFFAOYSA-N 293.345 3.811 30 20 CHED C[C@H]1CCN(CC#Cc2ccccc2Cl)CC1(F)F 494222935 JHPHOXZWPXXKQL-LBPRGKRZSA-N 283.749 3.669 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cccc2ccccc12 497111830 BXNSIYXKNHIIMD-INIZCTEOSA-N 282.387 3.994 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 497327321 KTQKQKWWZWQTNL-YQQAZPJKSA-N 282.387 3.647 30 20 CHED CC(C)(C)CCCN1CCC[C@]2(CCCCO2)[C@H]1C#N 499770928 MQKHXEPMIQIGDA-NVXWUHKLSA-N 278.440 3.740 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC(C)(C)C2)cc1OC 507746633 DWLYJTFYZAUKBI-HNNXBMFYSA-N 289.419 3.928 30 20 CHED C=CCCC(=O)N(CCc1ccccc1)CC(C)C 522472327 MLOFLCSHHQFIER-UHFFFAOYSA-N 259.393 3.680 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@@H](Cc3ccccc3)C2)c1 525637094 YULFCOINYSIOOQ-KRWDZBQOSA-N 294.373 3.762 30 20 CHED C=CCCc1noc(Cc2coc3ccc(C)cc23)n1 528208534 SYLQVRDHXCTLOP-UHFFFAOYSA-N 268.316 3.834 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCc3ccc(F)cc32)CC1 530528290 QNOVUQBIMHNWPT-HNNXBMFYSA-N 273.351 3.676 30 20 CHED CC(C)n1cc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cn1 538393695 PSBIVTDTCPERFK-KBPBESRZSA-N 282.391 3.747 30 20 CHED C=C(CC)CN1CCC2(CC1)CCN(Cc1ccccc1)C2 540239541 OFHBCPPAIRQIQM-UHFFFAOYSA-N 298.474 3.941 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1sc(C(C)(C)C)nc1C 540393485 LIRCGFGGKGMBED-WCQYABFASA-N 296.480 3.584 30 20 CHED Cc1ccc(C)c(Cn2nc(C#N)c3ccccc32)c1 542337824 VPQSUEZNNMQKOX-UHFFFAOYSA-N 261.328 3.573 30 20 CHED Cc1ccnc(N2CCSC3(CCCCC3)C2)c1C#N 543207293 AOAOGZULVGWFKQ-UHFFFAOYSA-N 287.432 3.518 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C)(C)C1 549691729 KYMYHODOVTZKKX-UHFFFAOYSA-N 290.455 3.679 30 20 CHED C=CCNC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 550650349 DFLVZPQYXXGXQM-LBPRGKRZSA-N 285.309 3.576 30 20 CHED CCC[C@H](C(=O)Nc1cc(C#N)ccc1NC)C(C)C 552585526 GHFNWMQRJAKSCP-ZDUSSCGKSA-N 273.380 3.611 30 20 CHED N#Cc1ccc2nc(N3C[C@H]4CCC[C@@H](C4)C3)ccc2c1 553264169 FQDWQMAYPILDCG-GJZGRUSLSA-N 277.371 3.733 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCc1ccc(F)c(C#N)c1 558392572 CYXPOXCSXMTNBS-VXGBXAGGSA-N 260.356 3.612 30 20 CHED CCC1(CC)CCC(Nc2cc(C#N)ncn2)CC1 559501447 FDAXXTGDIGGFCX-UHFFFAOYSA-N 258.369 3.509 30 20 CHED CC1(C)Cc2cccc(CN3CCC(CCC#N)CC3)c2O1 563067221 FFQCNEJVKLDKDM-UHFFFAOYSA-N 298.430 3.916 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(C)c2ccccc2C#N)CC1 563167974 ZLNXAEQNDYXTBJ-AWEZNQCLSA-N 268.360 3.658 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1oc2ccccc2c1CC 563721322 DJNOYEHKFVFVDC-UONOGXRCSA-N 287.403 3.830 30 20 CHED N#Cc1c(NC[C@H]2CCC[C@@H](CO)C2)cccc1C(F)F 566483273 SXIPOOGCJMCMAY-NWDGAFQWSA-N 294.345 3.706 30 20 CHED Cc1ccccc1OCc1noc(-c2ccc(C#N)s2)n1 567318636 RXDDVUKJCCVNKE-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 569565818 AFBAANLUGXFZEV-MJBXVCDLSA-N 282.387 3.862 30 20 CHED C[C@H](Cc1ccsc1)N1CCC(CCC#N)CC1 570280752 KZCSHXSWRVOJCY-CYBMUJFWSA-N 262.422 3.695 30 20 CHED Cc1cc(SCC[C@@H]2CCCC2=O)ccc1C#N 580444857 XKTPABCCECDEON-LBPRGKRZSA-N 259.374 3.718 30 20 CHED C=CCC(C)(C)c1noc([C@@H](c2ccccc2)N(C)CC)n1 581205146 IJQVOCZGHVASSN-OAHLLOKOSA-N 299.418 3.964 30 20 CHED N#CCCC1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 581430091 IAOYHFZJSGIAJJ-UHFFFAOYSA-N 294.402 3.592 30 20 CHED N#Cc1ccc(Cl)cc1N1CC[C@H](c2cccnc2)C1 582417458 BQPRCEPYOOLCQJ-AWEZNQCLSA-N 283.762 3.601 30 20 CHED C=C(C)CN[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC 582681985 YBKFKKWAJALJTM-BRWVUGGUSA-N 259.393 3.503 30 20 CHED CC[C@H](C)N(C(=O)/C=C\c1ccccc1C#N)[C@H](C)CC 588477231 ILEZTKIICOPOTL-DAZBFNMPSA-N 284.403 3.997 30 20 CHED CCC1(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCCC1 590940115 UJJMQWVLKQXYDS-MRXNPFEDSA-N 297.402 3.568 30 20 CHED C[C@H](C#N)c1ccc(-c2ccc(N3CCCC3)nc2)cc1 592987159 QKAUHEUCPOZVPP-CQSZACIVSA-N 277.371 3.976 30 20 CHED C[C@H](CSc1ccccc1)N(C)C(=O)CC(C)(C)C#N 593219823 ZPSPVMKSYNQMGA-CYBMUJFWSA-N 290.432 3.565 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1cc2ccccc2s1 593459392 VCOOSMJNFQKAAR-MNOVXSKESA-N 272.373 3.628 30 20 CHED COCc1ccc([C@H]2CCCN2[C@@H](C#N)c2ccccc2)o1 595443764 XVWXBBJOWORPIV-SJORKVTESA-N 296.370 3.828 30 20 CHED C[C@H]1N(C(=O)NCC(C)(C)CC#N)c2ccccc2C1(C)C 596624126 OHRSODFWKPAZLN-CYBMUJFWSA-N 299.418 3.822 30 20 CHED C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](CC#N)C1 597178186 WFPFXTDGHVMCCT-IPJDOKCGSA-N 299.374 3.624 30 20 CHED CCN(C(=O)CC1(C#N)CCCCC1)[C@@H](C)C(F)(F)F 597598542 NQHPIYBCWIXREE-NSHDSACASA-N 290.329 3.650 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(-c2ccccc2)cc1)C1CC1 598123562 ONFAPJDDCYLVSA-AWEZNQCLSA-N 290.366 3.870 30 20 CHED Cc1ccc([C@H](NCc2cccc(C#N)n2)C2CC2)cc1 602509291 FGKRBPJDYBFOFM-SFHVURJKSA-N 277.371 3.503 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCc2cc(F)c(F)c(F)c21 602684564 OVNNTTGLOFFTJC-JOYOIKCWSA-N 282.309 3.621 30 20 CHED N#CCC1(CN2CCn3cccc3[C@H]2c2ccccc2)CC1 602780844 AHZSLIHUGXMYCO-GOSISDBHSA-N 291.398 3.587 30 20 CHED C=CCCOCC(=O)N1CCCCC[C@H]1c1ccc(C)o1 606340917 VOWSRAJQCFEBLF-HNNXBMFYSA-N 291.391 3.624 30 20 CHED CN(C(=O)CCC1CCCC1)c1ccc(C#N)cc1F 608799403 YVJQAFFKSDYHQY-UHFFFAOYSA-N 274.339 3.631 30 20 CHED N#Cc1csc(CNCCCCc2ccccc2)c1 610488638 GKJLWWKVXXBUED-UHFFFAOYSA-N 270.401 3.732 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CCCC1 610521520 DLIWTIVEUSLCRV-NHYWBVRUSA-N 290.794 3.847 30 20 CHED N#Cc1cccnc1S[C@H]1CCc2ccccc2C1 614799514 BJUURRFXWYKDTE-HNNXBMFYSA-N 266.369 3.603 30 20 CHED C[C@@H](C[C@H]1CCOC1)Nc1ccc(C(F)(F)F)c(C#N)c1 618579358 RRBBSQHTDGAKJB-WDEREUQCSA-N 298.308 3.804 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@](C)(C#N)C1 618834673 VQYPCICFCMSDAD-PBHICJAKSA-N 291.439 3.681 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 619213273 CFKQXJYIQDMBFW-FVQBIDKESA-N 257.377 3.651 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3ccccc3C2)cc1Cl 619748860 WOPRVMACXXQBMI-KRWDZBQOSA-N 296.801 3.859 30 20 CHED C=CCCC[C@@H](C)N[C@@H]1CCN(C(C)=O)c2ccccc21 621755877 CUIOZHVFVWXKPZ-RHSMWYFYSA-N 286.419 3.819 30 20 CHED C=CCC1(C(=O)N2CC(c3ccccc3)C2)CCCC1 633810161 BEHYTPQIRAXDDS-UHFFFAOYSA-N 269.388 3.749 30 20 CHED C=C(C)Cn1c(C)nnc1N1CC(C)(C)c2ccccc21 642725343 GVBJCZGSFBPKNN-UHFFFAOYSA-N 282.391 3.592 30 20 CHED C=C(C)COc1cccc(NC(=O)NC2(C)CC=CC2)c1 653966818 QWBXCUSNFMAIND-UHFFFAOYSA-N 286.375 3.872 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC(C)(C)C[C@@H](C)O 657921730 ZZALTCKFGNPPFQ-KFWWJZLASA-N 253.430 3.508 30 20 CHED C=CCCNC(=O)Nc1cc(C(F)(F)F)ccc1F 665964902 YRPSYXWHDWNESZ-UHFFFAOYSA-N 276.233 3.542 30 20 CHED C=CCCSCCNC1CC(C#N)(c2ccccc2)C1 696063889 UXBSDDXNZBRDOZ-UHFFFAOYSA-N 286.444 3.509 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1cc(F)c(Cl)cc1Cl 700579700 FQABUWMOPZYKJM-ZDUSSCGKSA-N 288.149 3.664 30 20 CHED C#CCN(CC)C(=O)c1sc2ccccc2c1Cl 700590139 WGMSTLBWZLNIBK-UHFFFAOYSA-N 277.776 3.650 30 20 CHED CC/C=C(\C)C(=O)Nc1ccc(C#N)c(Br)c1 701266843 VVKXGXGESFVNJV-RUDMXATFSA-N 293.164 3.616 30 20 CHED CCOCC(C)=NN=C1c2ccccc2-c2ccccc21 726422945 CTDABMOTMUAIEV-UHFFFAOYSA-N 278.355 3.917 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)C=C(C)C)c1 728182326 KFHXLFCVQXQKJZ-UHFFFAOYSA-N 279.339 3.760 30 20 CHED Cc1ccc(C(C)(C)C/N=C/c2cccc(O)c2O)cc1 728437793 INTNFFOVELIYOL-YBFXNURJSA-N 283.371 3.803 30 20 CHED C=CCN(CC1CCCCC1)C[C@H](O)c1ccccc1F 732666840 FJDCPBFVSWAPPI-SFHVURJKSA-N 291.410 3.927 30 20 CHED CC1(C)C[C@H]1CNC(=S)Nc1ccc(C#N)c(Cl)c1 732725488 PXRZHUCACLNCJK-JTQLQIEISA-N 293.823 3.544 30 20 CHED C=C(Cl)COC(=O)CCOc1cc(C)cc(C)c1C 733549455 RLNALHQKOORNQL-UHFFFAOYSA-N 282.767 3.676 30 20 CHED CCCCCCCOC(=O)CCc1csc(C)n1 733580935 MRRUKDRKDUUOAJ-UHFFFAOYSA-N 269.410 3.898 30 20 CHED CCCCCCCC(=O)OCc1ccn(C(C)C)n1 735133471 CGTDFSJLTWXPQS-UHFFFAOYSA-N 266.385 3.868 30 20 CHED C=CCCCS[C@H](C)C(=O)c1[nH]c(C)c(C(=O)O)c1C 736102634 SKNLCFUPAXKSBM-LLVKDONJSA-N 295.404 3.600 30 20 CHED FC(F)(F)CCON=Cc1ccc(Br)cc1 740873013 VXOPATTWCYWWLZ-UHFFFAOYSA-N 296.086 3.752 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCOc1ccc(C#N)cc1 743854223 PTVLHPXLHQAHSW-AYBZRNKSSA-N 298.430 3.980 30 20 CHED C=C(C)CCOC(=O)CCCOc1cccc(C(C)=O)c1 744299983 NKRRBSHLGZLUPC-UHFFFAOYSA-N 290.359 3.558 30 20 CHED C=C(C)CCOC(=O)c1sc(CC(C)C)nc1C 744300220 SRVLQUIKNUWTSP-UHFFFAOYSA-N 267.394 3.773 30 20 CHED CC(=NOCc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 746577520 SBPICWIQFYERTP-LBPRGKRZSA-N 287.281 3.634 30 20 CHED Cc1nc(C=NNc2ccc(Cl)c(F)c2)cs1 747635925 TZPKTNHXCFDGFV-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C=CCCCC(=O)Oc1cccc(C(F)(F)F)c1 748516229 PLQLRXPWIJDRPT-UHFFFAOYSA-N 258.239 3.967 30 20 CHED C[C@H](OC(=O)c1cc2ccccn2c1)c1ccc(C#N)cc1 748680650 SBHXVIVXRWEBJG-ZDUSSCGKSA-N 290.322 3.729 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)OCc2ccc(C#N)cc2)C1 750244974 XPUSXRSACQUCSX-CZUORRHYSA-N 271.360 3.818 30 20 CHED CCOC(=O)c1ccc(/C=C2/Cc3cc(C)ccc3C2=O)o1 751514790 PGTZAHCMKONHCD-RAXLEYEMSA-N 296.322 3.587 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 755486337 MNDDIRXAVLRJIT-BZUAXINKSA-N 281.440 3.811 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1cc(F)ccc1F)OCC 756479113 XIPFAADURXZMBO-ABAIWWIYSA-N 298.329 3.940 30 20 CHED C#CC[C@@H](NC(=O)Nc1cccc(F)c1)c1ccccc1 756868710 WQWBROSSOMYNSD-MRXNPFEDSA-N 282.318 3.712 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1SC(F)(F)F 757201141 PJLVBTPPVFKROZ-MRVPVSSYSA-N 290.310 3.995 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@](C)(CC)C1)c1ccncc1 758779839 OQSZOUSRXMBQDE-RDJZCZTQSA-N 287.407 3.530 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1Cl)c1cscn1 761481937 ZIOFFSLYQFYIHO-IWQZZHSRSA-N 285.155 3.741 30 20 CHED CCC[C@H](C(=O)OCc1cccc(C#N)c1)C(C)C 763846772 DFYGOQYXEDONCR-HNNXBMFYSA-N 259.349 3.674 30 20 CHED C#CCN[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 764599412 NSLHLUDWYRFQKA-CQSZACIVSA-N 283.346 3.689 30 20 CHED C#CC[C@@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)C(C)C 765961554 ZGCACCVVMYIYCE-NBEHIINDSA-N 281.355 3.772 30 20 CHED CC#CCOC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 766980461 CJRYJVXIFOHVEH-JKSUJKDBSA-N 280.408 3.709 30 20 CHED COc1ccc(/C=C/C(=O)c2cncc(C)c2)cc1C 767365322 AOTPOMSOKGWYBI-GQCTYLIASA-N 267.328 3.603 30 20 CHED COc1cc(C(=O)/C=C\c2cncs2)ccc1SC 767729180 NKLHZSLHNGPLHM-PLNGDYQASA-N 291.397 3.770 30 20 CHED N#Cc1ccc(SCc2cccc3nsnc23)cc1 768307486 YJQIFCHMXCBJBW-UHFFFAOYSA-N 283.381 3.855 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1cccc2ccccc12 769379534 KHAPNFGKAYSOEJ-ZDUSSCGKSA-N 270.328 3.726 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)s1 770571042 NWBKQBOHIULZDQ-XQRVVYSFSA-N 271.316 3.963 30 20 CHED COc1ccc([C@H](OC)[C@H](C)/N=C\c2ccccc2O)cc1 771522027 XBIMRSZMUGRNFO-TXQFIYPOSA-N 299.370 3.596 30 20 CHED C#CC[C@H](NC(=O)N1[C@H](C)CC[C@H]1CC)c1ccccc1 772526289 LRUTVGDKYKVAHH-OIISXLGYSA-N 284.403 3.724 30 20 CHED CC(C)[C@H]1CCC[C@@H]1NCc1ccc(OCC#N)cc1 772961060 YITSIPGLDMLIES-SJORKVTESA-N 272.392 3.503 30 20 CHED COCc1ccc(C=NN[C@@H]2CCCCC2(C)C)cc1 773125024 LXLXEDJYGJXOOD-MRXNPFEDSA-N 274.408 3.725 30 20 CHED CN(C)c1ccc(/C=C2/Oc3cc(F)ccc3C2=O)cc1 773174463 VVPUSSXPJJDIHI-CXUHLZMHSA-N 283.302 3.508 30 20 CHED C=C(CC)CN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 773430644 PHRSEGKILXHNNA-AWEZNQCLSA-N 296.455 3.578 30 20 CHED CCCc1cccc(C=NNCc2ccc(C#N)cc2)c1 774395927 WJRKMHCTMOIZIR-UHFFFAOYSA-N 277.371 3.634 30 20 CHED Cc1ccc(C(=O)OCc2cccc(C#N)c2F)c(F)c1 774967420 NLNAWEAEKBAXBI-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCO[C@@H](C#N)C1 775162661 XVIVXRLCJKFRTH-CVEARBPZSA-N 294.439 3.514 30 20 CHED CCCC(CC)=NNC(=S)Nc1ccccc1F 776182641 CAAVGDHYAACQGO-UHFFFAOYSA-N 267.373 3.678 30 20 CHED COC[C@H](CC(C)C)Nc1ccc(OC(C)C)c(C#N)c1 776521466 PEJZFLURULSECI-INIZCTEOSA-N 290.407 3.818 30 20 CHED COc1ccc(CCC=NOC2CCCC2)c(C)c1 777443206 QSKFWONELYWXAY-UHFFFAOYSA-N 261.365 3.881 30 20 CHED Fc1cc(C=NOCCC(F)(F)F)c2ncccc2c1 777459159 HKXSLPSPLBYOCS-UHFFFAOYSA-N 286.228 3.677 30 20 CHED CCO[C@H]1CC(=NOCCC(F)(F)F)C1(CC)CC 777461212 WLBRXIVYUVEMOQ-NSHDSACASA-N 281.318 3.927 30 20 CHED COC[C@@H](C)NN=Cc1ccc(-c2cccs2)cc1F 777891905 VABVUVWSSHDIJP-LLVKDONJSA-N 292.379 3.513 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2cc3ccccc3n2CC#N)C1 779265686 SEUZHXNFDDEGDT-OCCSQVGLSA-N 282.343 3.510 30 20 CHED CCc1cccnc1C(C)=NNc1cccc(F)c1 779770406 JATPTJAKFZTPQT-UHFFFAOYSA-N 257.312 3.619 30 20 CHED C#CCCCCCC(=O)NCc1cccc(OC(C)C)c1 779855062 IGNJMDJPLDSTQC-UHFFFAOYSA-N 287.403 3.674 30 20 CHED C#CCCCCCC(=O)Nc1cc(C)n([C@@H](C)CC)n1 780031535 HBCJUDIWBBMEES-ZDUSSCGKSA-N 275.396 3.685 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H](Nc2ccccc2)C1 780649081 NRPDAEKIAUVIKE-GOSISDBHSA-N 298.430 3.673 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)O)cs1)CC2 782207306 NHZPBIJYUMMGBQ-GHXNOFRVSA-N 298.363 3.967 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O 787025121 DGYNNPMNFUKMQC-APPDUMDISA-N 296.345 3.741 30 20 CHED C#CCC1(C(=O)NC[C@H](C)c2ccccc2)CCCCC1 788140239 OVCWEGISVDMXKL-INIZCTEOSA-N 283.415 3.880 30 20 CHED C#Cc1cccc(NC(=S)NN=C2CCC23CCCC3)c1 788714609 FRKANZTVLWCGNS-UHFFFAOYSA-N 297.427 3.665 30 20 CHED Cc1cccnc1NN=Cc1cc(C)n(C2CC2)c1C 790185884 KOEXHXDXHWNYCL-UHFFFAOYSA-N 268.364 3.589 30 20 CHED C=CC[C@@H](C(=O)OCC1(OC)CCCC1)c1ccccc1 791453505 WEVMHWQISDIVJI-MRXNPFEDSA-N 288.387 3.849 30 20 CHED CCCCCCCCC(=O)N1CCC[C@](C)(OC)C1 791841410 DBXSXDBSSDJNDV-INIZCTEOSA-N 269.429 3.765 30 20 CHED CCCCCCCCCN1CCC(CC(=O)N(C)C)CC1 792277125 HHQWFZJUVGCOQR-UHFFFAOYSA-N 296.499 3.927 30 20 CHED FC(F)(F)CCNN=C1CCC[C@H]1c1ccccc1 794544895 GBZZZUMGRJKCQS-LBPRGKRZSA-N 270.298 3.852 30 20 CHED CC[C@@H](C)Oc1cc(C=NOCCSC)ccc1OC 794573313 WRQKCMMGUUANRM-GFCCVEGCSA-N 297.420 3.586 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2ccnc(F)c2)c1 794718641 CSBPDNDREBYWBT-SREVYHEPSA-N 285.318 3.904 30 20 CHED CCc1cccc2c1OC/C(=C\c1ccsc1)C2=O 794726405 CELFCYYBRYHRNF-MDWZMJQESA-N 270.353 3.969 30 20 CHED CC(=C/c1ccccc1)/C=C1/CCc2nn(C)cc2C1=O 794962803 XWZIBBJHDLHKPF-BDXDCFHCSA-N 278.355 3.579 30 20 CHED CCC(Cc1ccccc1)=NNc1ncccc1F 794984369 JWJLXUATKNOKJE-UHFFFAOYSA-N 257.312 3.641 30 20 CHED N#Cc1ccc(F)c(CN[C@@H](c2cccnc2)C2CCC2)c1 795801333 MAONYKPXHHLDRD-GOSISDBHSA-N 295.361 3.723 30 20 CHED CC[C@@H](C)NN=Cc1ccc(N(C)c2ccccc2)nc1 797788781 USZCONIGTWUSIT-CQSZACIVSA-N 282.391 3.572 30 20 CHED CCCCCC(C)(C)CNC(=O)c1cc(C#N)oc1C 797925225 QYGMSUDYKRSJMV-UHFFFAOYSA-N 276.380 3.796 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/CCCCc2ccccc2)c1 798068801 XEFUQOWQWMBWAM-QGOAFFKASA-N 298.342 3.742 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1ccc(C(F)(F)F)cn1 798669935 QMNWSLWFPHFYRR-LLVKDONJSA-N 299.292 3.898 30 20 CHED C#C[C@@H](NC(=O)CCCCCc1cccs1)C(C)C 799043305 HNRPCANNPTZXQG-OAHLLOKOSA-N 277.433 3.625 30 20 CHED COc1ccccc1CON=C1CCc2c(OC)cccc21 799118393 DETJPGNBQGQSIA-UHFFFAOYSA-N 297.354 3.571 30 20 CHED CCc1ccccc1NN=C1CCC12CCOCC2 799874968 IAPNHMBYAJMBMW-UHFFFAOYSA-N 258.365 3.608 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)[C@@H]1CCCC(F)(F)C1 800282677 LTXRGNPLQDCWBD-CYBMUJFWSA-N 296.288 3.546 30 20 CHED Cc1ccc(C=NNC2CCCCC2)c(-c2cnn(C)c2)c1 802711882 DIMWPRPVCUVAAX-UHFFFAOYSA-N 296.418 3.652 30 20 CHED C#C[C@@H](NC(=O)CCC(C)C)c1ccc(Cl)cc1F 804421406 NIPGUEJVMOJSST-CQSZACIVSA-N 281.758 3.706 30 20 CHED C=CCCCCCCNC(=O)[C@H](C)n1cnc2ccccc21 805220518 UXHRJMMZMSRDMD-HNNXBMFYSA-N 299.418 3.850 30 20 CHED C=C(CNC(=O)/C=C1/CC[C@@H](C)C1)c1ccccc1 807798157 PMVYEXHJAHTVOQ-LKKYZFDUSA-N 255.361 3.562 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccc(F)cc1 807991712 QDGYZYSAHHNTBF-UHFFFAOYSA-N 284.338 3.719 30 20 CHED C#C[C@@H](NC(=O)N1CC[C@H](c2cccc(C)c2)C1)C(C)(C)C 808319186 OOGYXVGTGFBHPN-DLBZAZTESA-N 298.430 3.542 30 20 CHED N#CCCCCCC(=O)Oc1c(F)cccc1Cl 808672225 GVZOFVXJEAJWBZ-UHFFFAOYSA-N 269.703 3.859 30 20 CHED CC[C@@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(F)cn1 808946842 KRHXSOOKNQADIZ-MRXNPFEDSA-N 298.317 3.595 30 20 CHED C#CCOc1cccc(-c2noc([C@@](C)(C=C)CC)n2)c1 809342072 BVIDMRRGBRPWPJ-KRWDZBQOSA-N 282.343 3.602 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(Cl)c1OC 810603420 XAACENQPYLCXGG-UHFFFAOYSA-N 299.757 3.511 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C1(F)CCCCC1 811914935 XGHFYYHBZFBDGT-GFCCVEGCSA-N 290.338 3.588 30 20 CHED CCOC(=O)c1ccc(NN=C[C@@H](C)CC)cc1C 812228432 PMPWQSMZTKLUJQ-NSHDSACASA-N 262.353 3.616 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cnc2ncccn12 812232670 JYOPMRYEYLUCMK-UHFFFAOYSA-N 293.374 3.607 30 20 CHED CC(C)OCCON=C[C@@H](c1ccccc1)C(C)C 812239365 UACCBYIJEORYNO-MRXNPFEDSA-N 263.381 3.854 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C)C1(C#N)CCC1 813130332 RKXFLOWTDFPEBH-AWEZNQCLSA-N 264.413 3.888 30 20 CHED Cc1cc(C)cc(NN=Cc2cnc(C(C)(C)C)nc2)c1 814753027 DHPOFCXRPBSBGD-UHFFFAOYSA-N 282.391 3.837 30 20 CHED c1ccc2ncc(CNN=C3CC[C@H]3C3CCC3)cc2c1 814876430 BZMGDCPEFFBQAQ-INIZCTEOSA-N 279.387 3.891 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccc2[nH]ncc2c1 814900193 IEDQWONFAYEZRS-ZDUSSCGKSA-N 281.363 3.681 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1cccc(C2CC2)c1 814935358 LGDKEJLYEOJAAR-ZDUSSCGKSA-N 274.433 3.631 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1cnn(C(C)C)c1 814945974 ZLGOAGNNJUDWLD-UHFFFAOYSA-N 296.296 3.717 30 20 CHED N#CC1(OC(=O)c2cc(Cl)c(F)cc2Cl)CCC1 815976940 ALDMODRYUZYBTA-UHFFFAOYSA-N 288.105 3.736 30 20 CHED CCCCCCC[C@H](C)NC[C@H]1CC[C@H](C(N)=O)CC1 817411491 SKJXHAQXXQPVAY-JYJNAYRXSA-N 282.472 3.617 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](C)[C@H](CN)C1 818010018 HFUKFRXKBLDNLG-DLBZAZTESA-N 296.499 3.961 30 20 CHED CCCCCCCC(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1 819260971 JEKMLPOHHMARCN-SJORKVTESA-N 279.424 3.517 30 20 CHED CC(C)c1ccc2cc(C(=O)N[C@@H]3CC[C@H](C#N)C3)[nH]c2c1 819631964 IKVHNETWMIKLGF-SWLSCSKDSA-N 295.386 3.713 30 20 CHED C#C[C@H](OC(=O)c1ccc2ncccc2c1)c1ccccc1 821612755 IABYJPZKWSQAFL-SFHVURJKSA-N 287.318 3.766 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1nnc(C)s1 823061313 AFUFVTFUADQFSU-GFCCVEGCSA-N 297.468 3.502 30 20 CHED CCc1nocc1/C=C1\CCc2ccc(C)cc2C1=O 834430482 OZEWIVJWIRLPKC-UKTHLTGXSA-N 267.328 3.758 30 20 CHED CC[C@@](C)(C=NNc1ncc(Cl)cc1Cl)OC 834926920 YGLAYBDTIHIGDW-NSHDSACASA-N 276.167 3.601 30 20 CHED Clc1ccc(C2=CCC(=NN[C@@H]3CCOC3)CC2)cc1 834978509 UTWJGVLWTMICBA-MRXNPFEDSA-N 290.794 3.642 30 20 CHED C[C@H](NN=Cc1ccc(Cl)cc1Cl)C(F)(F)F 834995833 BUOCEGSRJSGEBC-LURJTMIESA-N 285.096 3.868 30 20 CHED CC(=NNc1ccc(C)cc1Cl)[C@H]1CCCOC1 835012308 RNNMTSMKIOIIIY-LBPRGKRZSA-N 266.772 3.863 30 20 CHED C=CCC(F)(F)C(=O)N1CC2(CCCC2)[C@@H]1C(C)C 837192696 VODMPGXOQOGVNV-LBPRGKRZSA-N 271.351 3.625 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)OCCC(C)(C)C#N 837832036 LSFNLLNKDMQKCP-OLZOCXBDSA-N 251.370 3.686 30 20 CHED Cc1ccccc1-c1cnc(COC(=O)C#CC(C)(C)C)o1 838373132 WWXQEDDJGMOHMC-UHFFFAOYSA-N 297.354 3.743 30 20 CHED CSc1ccc(CCCC(=O)OC(C)(C)C#N)cc1 842735488 UTJQYZIWJBDNBI-UHFFFAOYSA-N 277.389 3.577 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1 844417147 SEKNVTMOZXJQMI-XFBWCDHKSA-N 269.344 3.599 30 20 CHED Cc1nn(C(C)C)cc1C(=O)O[C@@H](C)c1cccc(C#N)c1 847639341 CRKQDLLKLAFJCI-ZDUSSCGKSA-N 297.358 3.562 30 20 CHED C[C@H]1CCC(=NNc2ccc(CC(=O)O)cc2)C[C@H]1C 848413646 BBMCKLFMUQWUAA-NWDGAFQWSA-N 274.364 3.538 30 20 CHED CC(C)C[C@H](C(=O)OCC#N)c1ccc(Cl)cc1 849870981 KGRNLIORUKVCJP-ZDUSSCGKSA-N 265.740 3.536 30 20 CHED CSCCCCCOC(=O)CC1(C#N)CCCCC1 850945223 OKIWAPHMTDHLRF-UHFFFAOYSA-N 283.437 3.927 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCCC(F)(F)F 851208610 ZSUVCIGNEQLXED-VIFPVBQESA-N 265.275 3.591 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cnc[nH]1 853294295 KOXRXSCOFFVKCF-GFCCVEGCSA-N 270.380 3.608 30 20 CHED C#Cc1cccnc1N1CCC(OCC2CCCCC2)CC1 853384931 WFCAUGXWWNARJT-UHFFFAOYSA-N 298.430 3.629 30 20 CHED CC(C)O[C@H]1CC(=NNc2ccc(Cl)cn2)C1(C)C 853438126 ZYXLOBFRQFBXAI-LBPRGKRZSA-N 281.787 3.726 30 20 CHED CC(C)[C@@H]1CCCC(=NNc2ncc(Cl)cn2)C1 857221289 XLKUTPYMYCVTJU-SNVBAGLBSA-N 266.776 3.744 30 20 CHED C=C[C@H](OC(=O)[C@@H](C)OCCCC)c1ccccc1 857658285 DQGMNDMFLTWMLP-HIFRSBDPSA-N 262.349 3.662 30 20 CHED C#C[C@H](OC(=O)CCCc1cccnc1)c1ccc(C)cc1 860962923 ZAIHRFIEWOQIFU-SFHVURJKSA-N 293.366 3.630 30 20 CHED CCCCCCCC(=O)N1CCC(F)(F)C[C@@H]1C 863011344 BXKLRVQTKHOKGP-LBPRGKRZSA-N 261.356 3.993 30 20 CHED C=CCC1(NC(=O)CC(F)(F)C(F)(F)F)CCCC1 869275991 HYBNXHJMKQGGRT-UHFFFAOYSA-N 285.256 3.579 30 20 CHED C=CCOc1ccc(OC(=O)C2(C)CC(F)(F)C2)cc1 873507445 NFBWYPBUADZWOZ-UHFFFAOYSA-N 282.286 3.592 30 20 CHED C=CCC1(C(=O)Nc2cccc3cnccc23)CCC1 874980583 NDSFBWIDVNHCNR-UHFFFAOYSA-N 266.344 3.920 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 878417859 GSSNTUPCTWELQW-HOCLYGCPSA-N 287.403 3.577 30 20 CHED C=CC(C)(C)CC(=O)Nc1nn(-c2ccccc2)cc1C 878766126 TXIXQLCXXHQPBW-UHFFFAOYSA-N 283.375 3.722 30 20 CHED N#CC1(CNCc2cccc(Oc3ccccn3)c2)CCC1 894966247 LSLYZUUMIOUNHO-UHFFFAOYSA-N 293.370 3.657 30 20 CHED Cc1cccc(C(C)C)c1NCc1cc(C#N)ccn1 901394908 UFVTZPSLTXSAMO-UHFFFAOYSA-N 265.360 3.997 30 20 CHED CCc1cccc2c1OC/C(=C/c1cncn1C(C)C)C2=O 901507504 WGIHNRFICJPYGZ-ZSOIEALJSA-N 296.370 3.685 30 20 CHED CCCOc1cccc(/C=C2/C(=O)c3nccn3[C@H]2C)c1 901560996 PGSJEFXEARGMLG-YGRGUWMTSA-N 282.343 3.513 30 20 CHED C=CCC[C@@H](NC1CCC(C(C)(C)C)CC1)C(=O)O 901691586 ANMDFFNRTGRYDI-JXQTWKCFSA-N 267.413 3.600 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)c2cccc(C#N)c2)CC1 902795731 JGGIREKDKQAFIS-LJQANCHMSA-N 297.446 3.639 30 20 CHED COc1ccc(Cl)cc1[C@@H](C)NCC(C)(C)C#N 903100503 QKAOPNDQQQSIDZ-SNVBAGLBSA-N 266.772 3.549 30 20 CHED CCC(CC)(C(=O)Nc1ncc(C#N)s1)c1ccccc1 903939121 MUGJCGXBXCSWOJ-UHFFFAOYSA-N 299.399 3.711 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1ccsc1C#N 905257667 VHFMPTBDYVNBTP-NSHDSACASA-N 276.405 3.661 30 20 CHED CC(C)N(C)c1cccc(NC(=O)c2ccsc2C#N)c1 906631473 SUJZTNALQHALLJ-UHFFFAOYSA-N 299.399 3.717 30 20 CHED CC(=O)c1cccc(C(=O)OCCCCC2(C#N)CCC2)c1 909077485 XJKUGCNQFSMXGA-UHFFFAOYSA-N 299.370 3.910 30 20 CHED C=CCCC(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 909709963 PVJOAVDDWUNFFM-UHFFFAOYSA-N 299.349 3.998 30 20 CHED CC(C)C[C@@H](NC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 913909749 JZDAAZBDJRCXDF-DOTOQJQBSA-N 299.418 3.719 30 20 CHED N#CCCCCOC(=O)c1cc2ccc(F)cc2s1 914623918 OADHYGQQVZXDIN-UHFFFAOYSA-N 277.320 3.891 30 20 CHED C=CCN(C(=O)c1ccc(OC(C)C)cc1)C(C)C 914683554 SFBTZBAZEYKXOO-UHFFFAOYSA-N 261.365 3.510 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)c1cc(C)sc1C 915969429 QLDIDSBTMOUCFC-UHFFFAOYSA-N 290.348 3.504 30 20 CHED CCCOc1c(C=NNc2ccccn2)cccc1OCC 916273417 CINJLQKHDXFWBC-UHFFFAOYSA-N 299.374 3.715 30 20 CHED COc1ccc(CNN=C(C)C2CCCCC2)cc1 917549390 WKTGUWTXGWHBRK-UHFFFAOYSA-N 260.381 3.741 30 20 CHED CCCCCCCOC(=O)c1cnc2onc(C)c2c1 918492831 AQYLPAUZOOEKDD-UHFFFAOYSA-N 276.336 3.658 30 20 CHED C=C(C)CNC(=S)N(CC)[C@@H](C)c1cccc(OC)c1 918728331 RPRSIJXVDKNUHE-ZDUSSCGKSA-N 292.448 3.529 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(C#N)cc1)C2=O 921264421 STLQGQBDBDSJJD-SXGWCWSVSA-N 259.308 3.689 30 20 CHED C=C(C)CNC(=S)Nc1ccc(F)c(C(F)(F)F)c1 921272677 XLFWGKKUFLIELS-UHFFFAOYSA-N 292.301 3.707 30 20 CHED N#CC1(CCCCN2CCC(OCC3CC3)CC2)CCC1 929758459 KTURHTNWBSGHQD-UHFFFAOYSA-N 290.451 3.742 30 20 CHED C#CCN(C(=O)Nc1cccc(-c2ncco2)c1C)C(C)C 931521757 OXRREYNXRUJAEO-UHFFFAOYSA-N 297.358 3.526 30 20 CHED N#C[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1 932158610 MBCKVZHADJJAKI-LLVKDONJSA-N 289.429 3.607 30 20 CHED N#C[C@H]1CC[C@H](N2CC=C(c3c[nH]c4ccccc34)CC2)C1 933818371 IGZRKMZKPYAIHL-HOCLYGCPSA-N 291.398 3.949 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H]1C[C@H](c2ccccc2)C1 935786291 DLQLXFFGDUDLKU-QAQDUYKDSA-N 290.366 3.543 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCO[C@H](C(C)C)C1 935971193 LFCCRMFUWIHKJV-HOTGVXAUSA-N 281.440 3.690 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccn(C2CCCCC2)n1 1117750215 SHIDNQYPBVOCNB-UHFFFAOYSA-N 283.322 3.538 30 20 CHED C=C(C)CCC(=O)N1[C@@H](C)Cc2cc(OC)ccc2[C@H]1C 1120717589 SBOWLQBCDFUBLL-UONOGXRCSA-N 287.403 3.886 30 20 CHED Cn1ccnc1[C@@H](C#N)C(=O)c1ccc(C2CCCC2)cc1 1122608898 FPBSPINHLGUDKG-INIZCTEOSA-N 293.370 3.568 30 20 CHED C=CCC1(C(=O)O[C@@H](C)CC#Cc2cccnc2)CCC1 1263509554 YSSUGKYJKRGRMC-HNNXBMFYSA-N 283.371 3.501 30 20 CHED C=C(CC)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 1263705771 HSZNRUJBPOWZTI-UHFFFAOYSA-N 263.768 3.797 30 20 CHED Cc1cc(N[C@H](C)COc2c(C)cccc2C)ncc1C#N 1306949870 OQKBAPMOTQBFRR-OAHLLOKOSA-N 295.386 3.758 30 20 CHED CC[C@H](NC(=O)Nc1cc(C)c(C#N)cn1)c1ccccc1 1311070332 MPBPRDADCIFOTR-HNNXBMFYSA-N 294.358 3.535 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)C1CCCC1 1322977098 ZMGWAZJFCRZWKN-UHFFFAOYSA-N 260.385 3.752 30 20 CHED COc1cc(F)cc(NCc2cn3ccccc3c2C#N)c1 1324741263 JJJCLOTUTSHHLB-UHFFFAOYSA-N 295.317 3.571 30 20 CHED C[C@@H](NC(=O)CC#Cc1ccccc1)C1CCCCC1 1325947787 QOQCDAZCQOKLMC-OAHLLOKOSA-N 269.388 3.513 30 20 CHED CC(C)(C)ON=C1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1326784085 LXZWHMYKGWIEOQ-LLVKDONJSA-N 284.400 3.625 30 20 CHED N#Cc1cc(/C=C\C(=O)C2CCCCC2)cnc1Cl 1327223928 WHFIDWZTBNZWPY-SREVYHEPSA-N 274.751 3.769 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ncc(-c2ccccc2)[nH]1 1330090876 FMVJTGYSASXJQT-UHFFFAOYSA-N 296.418 3.838 30 20 CHED CCCCCCCCc1nc([C@H]2CN3CCC2CC3)no1 1342543203 BTPLPUQOFAFNGA-HNNXBMFYSA-N 291.439 3.782 30 20 CHED CC(C)(CNc1cccc(CC#N)n1)c1cccs1 1342842015 KEDWYYPRJOKWBI-UHFFFAOYSA-N 271.389 3.599 30 20 CHED Cc1cc([C@@H](C)Nc2cccc(CC#N)n2)ccc1F 1344125880 WAAWNEMPZHDGMB-GFCCVEGCSA-N 269.323 3.768 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1cc(F)ccc1F 1344668550 JAWRBGHCGMLSCZ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED COC1(C(=O)O[C@@H](C)CC(C)(C)C#N)CCCCCC1 1345424039 YCMRZADOOXXNFZ-ZDUSSCGKSA-N 281.396 3.597 30 20 CHED C=C(CC)C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 1347025438 KORWSNPARGVYQS-HNNXBMFYSA-N 283.375 3.583 30 20 CHED CC(C)CN(CCC#N)C(=O)c1[nH]ccc1-c1ccccc1 1347793370 JYOSPRFKQPYTES-UHFFFAOYSA-N 295.386 3.694 30 20 CHED C=C(CC)C(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 1351501350 MQCQYGYEODLDAQ-RISCZKNCSA-N 261.365 3.854 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1csc(C#N)c1 1358217118 JQHAERLKZLPERN-GBIKHYSHSA-N 263.362 3.601 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1cc(F)cc(C#N)c1 1462500769 AXVMIKLFSPHZAA-CABCVRRESA-N 276.355 3.703 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1)[C@@H]1CC1(C)C 1465139608 CHLYPWKXDPQKCD-UONOGXRCSA-N 271.364 3.504 30 20 CHED CCCC1(CNC(=O)Nc2cc(C)cc(C#N)c2)CCC1 1476740084 CHSCHWWTLDXVLA-UHFFFAOYSA-N 285.391 3.959 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(F)cc1OC 1520193423 KNYBCOPLHKBHPP-ZDUSSCGKSA-N 292.354 3.797 30 20 CHED CCC[C@@H](CC)C(=O)Nc1ccc(C#N)c(Cl)c1 1521816397 YKJBJHHARVHOPU-SNVBAGLBSA-N 264.756 3.976 30 20 CHED Cc1cccc(CC(=O)N(C)c2ccc(C#N)c(Cl)c2)c1 1531510022 YSFZJZHKGZYPGA-UHFFFAOYSA-N 298.773 3.726 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N(CCC#N)CC(C)(C)C 1537484853 CQJWSUIAUYQTDZ-HNNXBMFYSA-N 286.419 3.887 30 20 CHED C=C(CC)C(=O)N1CCC(Oc2ccccc2Cl)CC1 1548676254 YWPQGGZXHDXGJS-UHFFFAOYSA-N 293.794 3.676 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccc(F)c(Cl)c2)c1 1584675144 ZYQDQDBVPJXELF-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCCc1ccccc1NCc1cc(C(=O)O)c(C)n1C 1602884682 NPCBCPDTFVXUFY-UHFFFAOYSA-N 298.386 3.762 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccc(F)cc1F 1643236423 AJTDLQAZQMHSHD-UHFFFAOYSA-N 284.309 3.789 30 20 CHED COC1(CNc2ccc(Cl)c(C#N)n2)CCCCCC1 1643287090 NQXWQIMGGOQWBQ-UHFFFAOYSA-N 293.798 3.758 30 20 CHED Cc1cc(N[C@H](C)c2ccc(F)cc2)ncc1C#N 1651487841 VGGXCEVSNPTORC-LLVKDONJSA-N 255.296 3.574 30 20 CHED CCCN(CC1(CC#N)CC1)[C@H]1C[C@@H](OCC)C1(C)C 1652536750 KBSPKHPCNMQQET-LSDHHAIUSA-N 278.440 3.596 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNc1ccc(C(=O)O)nc1 1776069118 RBRNKXXRESNPIF-DGCLKSJQSA-N 289.379 3.640 30 20 CHED C=C(C)C[C@@H](NCc1ccc(SC)c(Cl)c1)C(=O)O 1776137945 FZBSUQFDQICXOO-GFCCVEGCSA-N 299.823 3.571 30 20 CHED C=C(C)CCCN1CCC([C@@H]2CCC[C@@H]2C(=O)O)CC1 1776138737 KMOAPNQNDSRBAY-HOTGVXAUSA-N 279.424 3.556 30 20 CHED C=CC(C)(C)CCN=c1c(C(=O)O)c[nH]c2c(C)cccc12 1776147393 GXHLJBDHTNSDQX-UHFFFAOYSA-N 298.386 3.678 30 20 CHED C=C[C@H](CCC(=O)O)NCc1scc(Cl)c1Cl 1776149576 JAHMJQSTJIWIMX-SSDOTTSWSA-N 294.203 3.564 30 20 CHED N#Cc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1 3219929 APPTVBLYAHHDHZ-AUWJEWJLSA-N 280.714 3.704 30 20 CHED Cc1cccc(NC(=O)/C=C/c2ccccc2C#N)c1C 21031798 SYTGEOHZRGQLMH-ZHACJKMWSA-N 276.339 3.827 30 20 CHED COc1ccccc1C[C@@H](C)Nc1cccc(C#N)c1 37203211 KWAJGVYGVHMSSY-CYBMUJFWSA-N 266.344 3.610 30 20 CHED N#Cc1ccc(NCc2cc(Cl)c3c(c2)OCO3)cc1 37302506 HCAYBXHTUNJORN-UHFFFAOYSA-N 286.718 3.552 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1cccc(O)c1)O2 39842650 FYBXDOVXRJQSRF-SXGWCWSVSA-N 266.296 3.625 30 20 CHED N#CC1(C(=O)Nc2cccc3c2CCCC3)CCCCC1 44385369 VBWLPLUDIDWIII-UHFFFAOYSA-N 282.387 3.978 30 20 CHED Cc1ccc(C)c(CN(C)Cc2cccc(C#N)c2)c1 46517914 ZJJMNHQOVIIVCX-UHFFFAOYSA-N 264.372 3.807 30 20 CHED Cn1c(-c2cccc(C#N)c2)nc2cc(Cl)ccc21 48526473 ZPHIEXSREKBZJZ-UHFFFAOYSA-N 267.719 3.765 30 20 CHED CCCCS[C@H](C)C(=O)N[C@H](C)c1ccc(C#N)cc1 48733817 JKAPBFPTUKQNIU-CHWSQXEVSA-N 290.432 3.657 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1Cl 63021673 NFCJPJMMQPKAOD-HNNXBMFYSA-N 290.794 3.851 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 65959493 YFUVDNQAGWTSBO-UHFFFAOYSA-N 296.370 3.826 30 20 CHED C[C@H]1CCC[C@@H]1Nc1c(C#N)cnc2ccccc12 71208333 RQCGJBVQNDIHMZ-FZMZJTMJSA-N 251.333 3.707 30 20 CHED CC[C@@H](C)[C@@H](C(=O)N1CCC(C#N)CC1)c1ccccc1 71297966 OSZQDAXRSPPHCQ-RHSMWYFYSA-N 284.403 3.578 30 20 CHED C#CCN(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 73387950 CTSDMUJRXPZIFK-OAHLLOKOSA-N 292.382 3.565 30 20 CHED Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccno2)n1 73506789 DMFBJVSJIJZJHT-UHFFFAOYSA-N 299.277 3.561 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC(C(F)(F)F)CC1 88421956 XVRXYTWGXRTXHE-UHFFFAOYSA-N 288.700 3.990 30 20 CHED Cc1ccsc1CNc1nc2c(cc1C#N)CCCC2 94877966 LLVGZMINNGZTJP-UHFFFAOYSA-N 283.400 3.814 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2ccc(F)cc2C#N)cc1 103139604 WSLVFSXZOAWESY-CYBMUJFWSA-N 298.361 3.899 30 20 CHED CC[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C)C(C)C 105754059 XRFBWBVLYFCWFG-KBPBESRZSA-N 297.402 3.822 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Cl)s2)C1 116814333 XQIHUZJQJZYTTF-TVQRCGJNSA-N 282.796 3.604 30 20 CHED C=CCCC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 118245701 PWYXLGQKPVUKAU-LBPRGKRZSA-N 275.245 3.512 30 20 CHED C#CCCCCC(=O)Nc1ccccc1OCCCC 119675423 UZBDQAJYVQXNBI-UHFFFAOYSA-N 273.376 3.998 30 20 CHED C=C[C@H](C)NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 119782353 IHVHQINQLWZQJA-OWCLPIDISA-N 281.440 3.833 30 20 CHED O=C(/C=C/c1ccc(F)c(Cl)c1)c1cncc(F)c1 121235032 VZNZGYPEUCVPBA-DUXPYHPUSA-N 279.673 3.909 30 20 CHED N#CCOc1cccc(CNCc2coc3ccccc23)c1 121414767 PVIMPAGQUAQQHQ-UHFFFAOYSA-N 292.338 3.625 30 20 CHED CCCN(CC#N)C(=O)/C(C)=C/c1ccccc1Cl 121780965 TZXRALBNGQIQFX-VAWYXSNFSA-N 276.767 3.505 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1Cl 122716807 IBWUHHYDGAKGDC-UHFFFAOYSA-N 295.729 3.945 30 20 CHED Cc1ncsc1CNc1cc(C#N)ccc1C(F)(F)F 123807371 AUVLXCCRGMWFMB-UHFFFAOYSA-N 297.305 3.954 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cnc3ccccn13)CC2 125470751 WCPUIDPNDJYZBF-PTNGSMBKSA-N 288.350 3.855 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 126446334 ZQPWFRUSBZJIIX-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccc(C)cc2)n1CC 127854877 NBSJDEJVFYBNIT-ZDUSSCGKSA-N 286.404 3.668 30 20 CHED C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(C#N)cc1F 128903653 MWPICUVDWMVSBC-HZMBPMFUSA-N 290.363 3.683 30 20 CHED O=C(/C=C/c1cncs1)c1ccc(OC(F)F)cc1 129895090 JBZWPVZCMOSRNB-AATRIKPKSA-N 281.283 3.641 30 20 CHED CCCCSCCC(=O)N[C@@H](C)c1ccc(C#N)cc1 133210865 LZQLASOLTZJZFV-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED C=CCNc1ccc(C(=O)N2CCCCC2)c(Cl)c1 133311100 RBEJKILNBPJZEZ-UHFFFAOYSA-N 278.783 3.564 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1csc(C2CC2)n1 134878387 ZJZFOGQISDEQMP-UHFFFAOYSA-N 283.400 3.524 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1CCCSCC#N 135354445 LODPBRBRYGHLKA-KGLIPLIRSA-N 254.443 3.534 30 20 CHED C=CCC(CC=C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 151097027 DFLJVTANBVJZOR-CQSZACIVSA-N 293.370 3.518 30 20 CHED C=C(C)CN1CCC(N[C@H](C)[C@@H](C)c2ccccc2)CC1 152959553 ISPUMBBCHNJYAM-IAGOWNOFSA-N 286.463 3.809 30 20 CHED C=CCN(C)C(=O)Nc1cccc(C2SCCS2)c1 156261081 OMAYDIHQDHBMJX-UHFFFAOYSA-N 294.445 3.815 30 20 CHED Cc1ccc(NCc2ccc(C#N)o2)c2cccnc12 157496558 MITXUXPXZQALFE-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CCn1c(NCc2cc(C#N)cs2)nc2ccccc21 158914644 NNMSTAPNVXRTBB-UHFFFAOYSA-N 282.372 3.601 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 161057295 LOOGFLYPBFLJEB-NWDGAFQWSA-N 283.293 3.501 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H](CC)c1ccc(F)cc1 161341741 TVVRUUNXAHOUBN-BXUZGUMPSA-N 281.396 3.701 30 20 CHED N#CCCCOc1cccnc1NCc1ccccc1F 162262930 JHNGZWUKBQMDGT-UHFFFAOYSA-N 285.322 3.515 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@@]2(CCOC2)C1 162791871 TYBMLVIHMDIJRH-QGZVFWFLSA-N 296.455 3.559 30 20 CHED N#CCCCCNC(=O)Nc1cccc(Cl)c1Cl 170903351 WTXAEUBSTLMSKQ-UHFFFAOYSA-N 286.162 3.809 30 20 CHED N#C[C@H](C(=O)CC1=CCCCC1)c1nc2ccccc2o1 171655569 DEBSVEXLBHMPIK-CYBMUJFWSA-N 280.327 3.895 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)cc1 172661893 OEDUDOUMZGMNMO-KGLIPLIRSA-N 273.376 3.512 30 20 CHED CCC(CC)CN(CCC#N)Cc1noc2c1CCCC2 173554675 YTJSXELUXUPDCF-UHFFFAOYSA-N 289.423 3.705 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC[C@H]1CC[C@H](C)O1 175003125 QJRPDLNPQWZXGH-UONOGXRCSA-N 293.432 3.610 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC(C(C)C)CC1 175750776 QREQXIRYEFJFRE-UHFFFAOYSA-N 285.391 3.767 30 20 CHED N#Cc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)s1 176399373 FZPDFJGXBMNXOP-WUXMJOGZSA-N 286.743 3.766 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(NC(=O)CC)c1 179768699 AFEGLVFRHDZVGU-CYBMUJFWSA-N 288.391 3.510 30 20 CHED CCOc1cccc2cc([C@@H](C)NCCCC#N)oc12 180359082 FQOMBVGLRHGNFK-GFCCVEGCSA-N 272.348 3.786 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H]2CC(C)(C)OC2(C)C)c1 182048368 HFYPIMRYWMOFID-CLXYIWAZSA-N 291.391 3.556 30 20 CHED C[C@@H](NCC1(C2CC2)CCC1)c1cccc(C#N)c1 182059250 GPVYBBUDSYRDEC-CYBMUJFWSA-N 254.377 3.789 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@H](C(C)(C)C)CC1 185587473 SHJHGAZNORCREF-AWEZNQCLSA-N 263.425 3.711 30 20 CHED C=C(C)[C@H](NC(=O)N[C@H](C)C1CC1)c1ccc(F)c(F)c1 187059840 BBKBUFAXACFZOX-BMIGLBTASA-N 294.345 3.680 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)c2ccsc2)CC1 187278370 AZAHFWFADNCYKC-UHFFFAOYSA-N 290.432 3.977 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 189204320 GBVMCLLDHOYURS-IIDMSEBBSA-N 289.419 3.524 30 20 CHED N#C[C@H](NC(=O)C1=CCCCC1)c1ccccc1Cl 189687632 HLQTXKQJZQCQND-AWEZNQCLSA-N 274.751 3.521 30 20 CHED C[C@H](Oc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 190087237 HZJURBFKULKUEG-NSHDSACASA-N 268.272 3.606 30 20 CHED CCCCCCCC[S@](=O)Cc1nc(C2CC2)no1 190790514 UHKPBKMEIIZOIA-IBGZPJMESA-N 284.425 3.556 30 20 CHED CCCCNC(=O)[C@H](C)S[C@@H](C)c1cccc(C#N)c1 190874892 NTWBJUFHVNHYPA-STQMWFEESA-N 290.432 3.657 30 20 CHED C[C@H](SCCCCC#N)c1ccc(S(C)(=O)=O)cc1 190918324 JYYGXLVWFLYUEO-LBPRGKRZSA-N 297.445 3.578 30 20 CHED C#CCCCC(=O)NC1(c2ccc(F)cc2)CCCC1 192231491 USVSVGHEPSPFBJ-UHFFFAOYSA-N 273.351 3.515 30 20 CHED C#CCCCC(=O)N1c2ccccc2S[C@H](C)[C@H]1C 192374843 YIIZUFGHQMXDFV-CHWSQXEVSA-N 273.401 3.706 30 20 CHED COc1cccc(CN(CCC#N)CCC(C)C)c1F 192949683 NSDFYJYINXSIEC-UHFFFAOYSA-N 278.371 3.596 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccc(Cl)cn2)CCC1 193162173 OZXCXRXWEIFIPT-NSHDSACASA-N 278.783 3.659 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C)o2)c1F 195502506 MNVHLCGBTBDTGD-BQYQJAHWSA-N 260.264 3.632 30 20 CHED CC(/C=C1\Oc2cc(O)ccc2C1=O)=C\c1ccccc1 206866344 UTIAZFXAUXAFRT-YZXVBUGESA-N 278.307 3.955 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(OC)cc(OC)c2)cc1 212562551 RYZSWVOKBTVWGK-WTKPLQERSA-N 298.338 3.609 30 20 CHED CC(=O)c1ccc(F)cc1OCc1cccc(C#N)c1F 223554474 OXGAPJOPVJYYEO-UHFFFAOYSA-N 287.265 3.618 30 20 CHED N#Cc1ccccc1OCc1cccc(Cl)c1F 228019516 CQXGQXPKCLBLGM-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C[C@@H]1CCN(c2ccc(C#N)c(Br)c2)C[C@@H]1C 228196452 OXCDHKIBIUWYEF-MNOVXSKESA-N 293.208 3.803 30 20 CHED CC(C)(C#N)CCCCOc1cc(F)ccc1[N+](=O)[O-] 232519233 IXCLWKJNLYZIPB-UHFFFAOYSA-N 280.299 3.833 30 20 CHED C[C@@H](O)C[C@@H]1CCCCCN1CCCCC(C)(C)C#N 235227109 JXMLYALMIIPCJG-CVEARBPZSA-N 280.456 3.722 30 20 CHED CC(=NNC(=S)NC(C)C)c1ccc(C(C)(C)C)cc1 254490162 PKDRJTVWRAJXJM-UHFFFAOYSA-N 291.464 3.581 30 20 CHED Cc1nc(C#N)c(NN=Cc2ccc(C(C)(C)C)cc2)o1 254816431 PHKMAWKNSVZCLI-UHFFFAOYSA-N 282.347 3.598 30 20 CHED COc1cccc(/C=C\C(=O)c2ccsc2)c1OC 255230255 OHABOSYLONSBBA-SREVYHEPSA-N 274.341 3.661 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C\c1cccs1 255840538 BMWSPYDDDSJNQU-SREVYHEPSA-N 268.341 3.580 30 20 CHED C=C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 264070916 GDBIDJZHGUZXCR-UHFFFAOYSA-N 275.779 3.550 30 20 CHED CC(C)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 264361626 SBZSGJVMUDOHEL-NSHDSACASA-N 285.174 3.720 30 20 CHED C[C@H](CC#N)Sc1ccccc1NCCCCCO 270543752 CYZLFOKKVJSASB-CYBMUJFWSA-N 278.421 3.655 30 20 CHED C#CCCCSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 270828010 IJXDPFZJVTXQCJ-TZMCWYRMSA-N 277.437 3.843 30 20 CHED C#CCCCSc1nnc(-c2cccs2)n1CC=C 270880511 OVENSCDNZGDIST-UHFFFAOYSA-N 289.429 3.698 30 20 CHED Cc1cnc([C@@H](C)CNc2ccc(C#N)cc2F)s1 273335473 RWLIJFYOWPTYOV-VIFPVBQESA-N 275.352 3.678 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1noc(-c2ccccc2C)n1 276746719 KBUOGKJGVCPWMB-JSGCOSHPSA-N 285.391 3.735 30 20 CHED CC#CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 278850420 LILFVEFXTSITPL-MRXNPFEDSA-N 269.388 3.671 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C 279557960 UECARUWXXBCIPU-MAUKXSAKSA-N 299.414 3.597 30 20 CHED Cc1nc(NC(=O)c2ccc(C(C)(C)C#N)cc2)sc1C 280044704 WYXGGLMIPMSNJM-UHFFFAOYSA-N 299.399 3.813 30 20 CHED Cc1ccc(F)c(OCCCC2(C#N)CCOCC2)c1 281386338 PNRMLNCNGFSIEF-UHFFFAOYSA-N 277.339 3.614 30 20 CHED CCCCCCCOc1cccc(CN[C@@H](C)C(=O)O)c1 283760937 AOPNYMKWRDSLGN-AWEZNQCLSA-N 293.407 3.599 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cc(C)ccn1)c1ccccc1 286047125 KAELXMMTSDAXPD-DOTOQJQBSA-N 264.372 3.805 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2sccc2C)no1 289624856 BRATXPMBVFKIHF-GHMZBOCLSA-N 276.361 3.555 30 20 CHED N#CCCCC(=O)N(Cc1ccccc1)CC1CCC1 291745284 SEAUNQBVSKQPJT-UHFFFAOYSA-N 270.376 3.509 30 20 CHED CCc1c(C(=O)NC2(C#N)CCCCC2)oc2ccccc12 294479234 IJVVDHSZWRPFQO-UHFFFAOYSA-N 296.370 3.951 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)Cc1ccccn1 294565442 LGWGIINTOPQJJU-RDJZCZTQSA-N 299.418 3.540 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1c1cccc(C#N)n1 295023589 VCLBRSSDATTXOY-AXFHLTTASA-N 283.297 3.509 30 20 CHED CCc1cccc(N/C(N)=N/Cc2ccc(F)c(C)c2)c1 303782255 NAQAFWBVEZOPIZ-UHFFFAOYSA-N 285.366 3.623 30 20 CHED C=CCCCSc1ncccc1Br 308267085 QECAVUGNRIDTDU-UHFFFAOYSA-N 258.184 3.902 30 20 CHED Cc1cc(CN[C@@H]2CCC[C@H]2C#N)sc1Br 309857950 LJHZNYAXCLHNSM-GXSJLCMTSA-N 299.237 3.601 30 20 CHED CC[C@@H](Nc1ccc(C#N)c(C)n1)c1ccccc1 311839470 MEHFXFHICXMWJY-OAHLLOKOSA-N 251.333 3.825 30 20 CHED Cc1cn2c(CNc3cccc(CC#N)c3)c(C)nc2s1 313419961 BCEHRQCEFRJZMV-UHFFFAOYSA-N 296.399 3.691 30 20 CHED CC(C)(O)c1ccc(CNc2cccc(CC#N)c2)cc1 313421499 CFEJNHQJSSBBTN-UHFFFAOYSA-N 280.371 3.592 30 20 CHED C/C(O)=N/C1(/C(O)=N/C[C@@H]2CCCSC2)CCCCC1 329465348 RIYYVZMBIJHJPX-ZDUSSCGKSA-N 298.452 3.765 30 20 CHED Cc1cccc(/C(O)=N/C[C@H]2CCC3(CCCCC3)O2)n1 330057412 XKZWHUXQGXOZGG-CQSZACIVSA-N 288.391 3.577 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2ccc(C(C)(F)F)cc2)no1 334667769 GWHKCCNMJFLCKZ-BJOHPYRUSA-N 289.285 3.649 30 20 CHED C[C@@H]1CN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC(C)(C)C1 335131599 AKRPRYDAMCYOCZ-SWLSCSKDSA-N 285.391 3.503 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2c2ccco2)c1Cl 335737625 YWOYYPBEYAFXOE-LLVKDONJSA-N 273.723 3.541 30 20 CHED C=CCCN(C)C(=O)Nc1ccnn1[C@@H](C)CC(C)C 341945314 FFKLRPXIYRTBFP-ZDUSSCGKSA-N 278.400 3.530 30 20 CHED CC(C)c1cnc(CNCC(C)(C)CCC#N)s1 342294454 POKGWNAHEVCYGM-UHFFFAOYSA-N 265.426 3.686 30 20 CHED C=CC[C@@H](CC)N[C@H](CC)c1cccc([N+](=O)[O-])c1 343511450 UDYKGTNFQLTJCD-UKRRQHHQSA-N 262.353 3.990 30 20 CHED Cc1nc(C)c([C@H](C)NCCc2cccc(C#N)c2)s1 343527008 ZURHKJFZZNNYEV-NSHDSACASA-N 285.416 3.525 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)C1 343531923 DNNYFUBYXKHUMD-SJORKVTESA-N 288.460 3.859 30 20 CHED CCCCCOc1ccc(CNCCCC#N)cc1 344297711 CPLJZVSETOPALT-UHFFFAOYSA-N 260.381 3.649 30 20 CHED Cc1ccsc1CCCC(=O)NCC(C)(C)CCC#N 345888729 PUILHAWSTDCBNA-UHFFFAOYSA-N 292.448 3.825 30 20 CHED CCN(CC#Cc1cccc(Cl)c1)Cc1ccncc1 348120393 ASJGKLMGHXNQEU-UHFFFAOYSA-N 284.790 3.609 30 20 CHED C=CCCCCN[C@H]1CCCOc2ccc(F)cc21 349314303 QMRNLSUJEHQJKI-HNNXBMFYSA-N 263.356 3.985 30 20 CHED N#CCC1(CN[C@@H]2CCc3cc(Cl)ccc32)CC1 349712557 XGIMGAMOVAWFHT-CQSZACIVSA-N 260.768 3.611 30 20 CHED CCc1ccc2occ(C(=O)N(CC)C[C@H](C)C#N)c2c1 350020945 XVAIVMMTDSVTQQ-GFCCVEGCSA-N 284.359 3.617 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCCc2ccc(F)cc21 350830342 PASOBSLFLWCGAX-HOCLYGCPSA-N 290.382 3.857 30 20 CHED CCN(Cc1ccc(CC#N)cc1)[C@H]1CCOC(C)(C)C1 351919747 SRBWMNVUVCMDAY-KRWDZBQOSA-N 286.419 3.532 30 20 CHED CCCn1c(-c2ccnn2C(C)C)nc2cc(C#N)ccc21 358845429 HFXJZTLQVBXZRA-UHFFFAOYSA-N 293.374 3.762 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1F 362679439 JSWKBHAROZVLBU-SSDOTTSWSA-N 276.233 3.541 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 365834334 GTTKLZXDWQUUHC-INIZCTEOSA-N 275.367 3.716 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 370690075 LTWALFFIXSTWOP-NJAFHUGGSA-N 298.430 3.758 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1CCCSCC#N 374171819 DOFUULNWDANAEU-RDJZCZTQSA-N 288.460 3.901 30 20 CHED C=CCSCCN[C@@H]1CCC[C@@H](c2cccnc2)C1 374326978 FOTPCNZTNKPEBV-GDBMZVCRSA-N 276.449 3.617 30 20 CHED C=CCOCCN[C@H](C)c1cccc(C(F)(F)F)c1 388569874 RTSFHKLLVMIJRW-LLVKDONJSA-N 273.298 3.559 30 20 CHED C=CC[C@@H](CC)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 393855337 SHSYJKWKSKVHPE-ZIAGYGMSSA-N 287.325 3.683 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2cccc(C)c2o1 410139879 NGBNDJOTBQUVQQ-CYBMUJFWSA-N 257.333 3.826 30 20 CHED C[C@@H](NCCCCO)c1ccc(-c2cccc(C#N)c2)cc1 411500160 FTQBEBOLWXOOIV-OAHLLOKOSA-N 294.398 3.648 30 20 CHED CC1(C)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N 412537353 KRFPARAVKLJMHK-KRWDZBQOSA-N 290.366 3.754 30 20 CHED C=CCOCCCOc1ccc(Cl)c(F)c1F 413011706 JOODGGFULUDCKO-UHFFFAOYSA-N 262.683 3.590 30 20 CHED Cc1cc(SCCC#N)nc(-c2cccs2)n1 413466501 CWPPOAGWYRVJPB-UHFFFAOYSA-N 261.375 3.519 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCO[C@@H](C(C)C)C1 414308188 SLWUKLIGXLLZKV-GUDVDZBRSA-N 287.447 3.967 30 20 CHED Cc1cc(NC(=O)CC2CCCCC2)c(C#N)cc1N(C)C 415720320 IKXHDPYMDQVMHL-UHFFFAOYSA-N 299.418 3.842 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 417358729 FVWCELVUWXMWHO-CXAGYDPISA-N 254.377 3.880 30 20 CHED C[C@@H](SC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 419429412 UQTULYLVWNJTLM-MSQAHXEGSA-N 273.401 3.920 30 20 CHED COc1cc(Cl)ccc1[C@H](C)NCC1(CC#N)CC1 421852500 IJZAUFHSUHJBMC-NSHDSACASA-N 278.783 3.693 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(NC)ccc1Cl 425281171 ZAHMJXZZBBAFFG-GFCCVEGCSA-N 278.783 3.562 30 20 CHED CN(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1Cl 426140579 ZVHLXCYAMHJNOM-UHFFFAOYSA-N 299.761 3.876 30 20 CHED C=C(C)CS[C@H]1CCN(c2cccc(Cl)c2)C1=O 426200665 IWSDJXOFEFPATN-ZDUSSCGKSA-N 281.808 3.755 30 20 CHED N#CCC1(CNCc2cc(Cl)cc3cccnc23)CC1 430065742 IPLYEZHNZHIZLM-UHFFFAOYSA-N 285.778 3.672 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1C[C@H](c2ccccc2)C1 432359179 PFLSYNVWGWAHHS-WKILWMFISA-N 286.419 3.834 30 20 CHED N#Cc1cccc(NCc2cc3c(F)cccc3[nH]2)c1 432409198 FOXCYJVWVFRXNK-UHFFFAOYSA-N 265.291 3.791 30 20 CHED N#CCN(CCc1cccc(Cl)c1Cl)C1CC1 434541949 IHWIRAPCLLGZBA-UHFFFAOYSA-N 269.175 3.524 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc(F)cc(Cl)c1 435732826 RWCYGRKZNIUVQG-SWLSCSKDSA-N 283.774 3.550 30 20 CHED CCN(C[C@H](C)C#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 437581384 PIHJQNGFLABWMO-BPQIPLTHSA-N 270.420 3.978 30 20 CHED C=C(C)COc1cccc(NC(=O)N2C[C@H](C)[C@@H](C)C2)c1 438122825 PYLJVWGVMDMFIT-KBPBESRZSA-N 288.391 3.761 30 20 CHED Cc1ccnc(CSCc2ccc(C#N)cc2Cl)n1 438874703 DRBJWNNFXZWTKB-UHFFFAOYSA-N 289.791 3.744 30 20 CHED Cc1ccc(C(C)(C)CN(C)[C@H]2CC[C@H](C#N)C2)cc1 438985767 ORQDBEAGXIWOIO-RDJZCZTQSA-N 270.420 3.897 30 20 CHED Cc1ccnc2[nH]c(S[C@H](C)c3ccc(C#N)cc3)nc12 439277989 VZKKTLIWDOCHSC-LLVKDONJSA-N 294.383 3.991 30 20 CHED CCCCOc1ccc(CCN[C@H]2CC[C@H](C#N)C2)cc1 442718336 LLGOFGDJKMVQHN-IRXDYDNUSA-N 286.419 3.690 30 20 CHED CCN(Cc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1C 444659263 HIKZMJVDKKZYGI-WMLDXEAASA-N 256.393 3.959 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1Cl 448677532 YLFTYVIKXOHZAC-ZUZCIYMTSA-N 292.766 3.615 30 20 CHED COc1cccc2c(CN[C@H]3CCC[C@H]3C#N)cccc12 449240801 OXZFWQHXQQWOGY-GUYCJALGSA-N 280.371 3.630 30 20 CHED C=CCCCCCN(C)C(=O)[C@@]1(C#N)CC12CCCC2 449916608 RGCFPKHARXEDHA-KRWDZBQOSA-N 274.408 3.665 30 20 CHED C=CCC1(C(=O)NCc2cncc(C)c2)CCCCC1 450281998 FJAVXPPHKQSGPF-UHFFFAOYSA-N 272.392 3.533 30 20 CHED CC#CCCNC(=O)C1(c2cccc(Cl)c2)CC(C)C1 450476759 RKDKVGAVCQYHRB-UHFFFAOYSA-N 289.806 3.537 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Cc1cccc(Cl)c1 452778333 XQHZKEQABBJWOM-GFCCVEGCSA-N 279.811 3.847 30 20 CHED C=C(C)CCc1noc(-c2ncccc2SCC)n1 453185219 QYQHTPMZGDCFGK-UHFFFAOYSA-N 275.377 3.752 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C1CCCC1)C1CC1 453205040 CQJRIOAQRFAULU-ZACQAIPSSA-N 263.425 3.526 30 20 CHED C=CCC1(CNC(=O)Nc2cnn(C(F)F)c2)CCCC1 455080872 OWUPZYARBATFNK-UHFFFAOYSA-N 298.337 3.536 30 20 CHED CC(C)(CC#N)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 459730415 MBKRUVBPNKYSFV-DLBZAZTESA-N 270.420 3.927 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)C(F)(F)F 463844097 NSZVSKLFUYENSG-LLVKDONJSA-N 277.330 3.780 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ccc(C#N)c(F)c1 464652146 YDQXVHFZZPORDC-HNNXBMFYSA-N 262.328 3.852 30 20 CHED C=C[C@H](C)NC(=O)C(C)(C)CCCc1ccccc1 465111834 KHPYCMGDFZDJDM-AWEZNQCLSA-N 259.393 3.726 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](CC)CC=C)c1 466406779 YONINGPSYBNSNE-CYBMUJFWSA-N 274.364 3.728 30 20 CHED C=CC[C@@H](C)NC(=O)NCCCCC1CCCC1 466591576 AKOISFFUUOVPPM-CYBMUJFWSA-N 252.402 3.611 30 20 CHED C=C[C@](C)(CC)C(=O)NCCOc1ccccc1C(C)C 468015832 GEDPRBPZJKTWEA-GOSISDBHSA-N 289.419 3.907 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@@H]2CCCC)CC1 468367502 NBQLFRIUYPMMHL-FUHWJXTLSA-N 278.484 3.975 30 20 CHED C=CCCCNC(=O)c1ccc(Sc2ccccn2)cc1 468385500 SISOLCLUQBYWFN-UHFFFAOYSA-N 298.411 3.929 30 20 CHED C[C@H]1CN(CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 471049566 ZWWCJVMQAIPCAP-KXBFYZLASA-N 292.382 3.630 30 20 CHED C=CCCCCNC(=O)[C@@H]1CCSc2ccccc21 471708167 AFXLOPKEDQWUSQ-CQSZACIVSA-N 275.417 3.739 30 20 CHED C=CCC[C@H](O)CN1CCCC[C@H]1c1ccc(C)cc1 472574069 MCETVNJPUZPBGH-ROUUACIJSA-N 273.420 3.849 30 20 CHED C=CCCCCNC(=O)Nc1cc(Cl)ccc1N(C)C 473710820 AJXXISKTUVKTSD-UHFFFAOYSA-N 295.814 3.884 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C#N)cc1Cl 473723551 VAHSCBHHSADNNY-UHFFFAOYSA-N 277.755 3.689 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CNCc1cccc(C#N)c1 479395605 HVVMTICAMQFDPX-PBHICJAKSA-N 254.377 3.640 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)CC(C)(C)C 480554678 OJDAMTNEMMUFQY-UHFFFAOYSA-N 250.773 3.690 30 20 CHED C=CCN(CC=C)[C@@H](CN[C@H](C)c1ccco1)C(C)C 480757138 KVHBOVGMJNEOMX-CVEARBPZSA-N 276.424 3.629 30 20 CHED C=CCCCC(=O)NC[C@H](CC)Oc1ccccc1Cl 482629567 MCRMTRLXZVOMJG-ZDUSSCGKSA-N 295.810 3.970 30 20 CHED N#Cc1cccnc1NC[C@@H]1CCCC[C@@H]1C(F)(F)F 484829493 NLKWGIVBDIWILS-RYUDHWBXSA-N 283.297 3.734 30 20 CHED CC[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)C1CCC(C)CC1 484914979 ZMXIJNNLOMDVMT-YJJGSOMYSA-N 276.424 3.647 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1ccc(C2CCC2)cc1 489796873 YKUBIYINNGSSQY-LBPRGKRZSA-N 271.364 3.577 30 20 CHED C=CCC(C)(C)CNC(=O)CSCc1ccc(C)cc1 489890028 YCRNVKOVLXAOAA-UHFFFAOYSA-N 291.460 3.947 30 20 CHED CC(C)c1cccc(CNC(=O)c2cccc(F)c2C#N)c1 490160114 WACJOJWYODHKEH-UHFFFAOYSA-N 296.345 3.751 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(Cl)s1 490243728 KMZLFSQSOPBNBS-UHFFFAOYSA-N 295.791 3.865 30 20 CHED C=CCN(C/C=C\c1ccncc1)Cc1cccs1 495077676 GGIBQDBLRUKTLF-HYXAFXHYSA-N 270.401 3.845 30 20 CHED COC(=O)Nc1cccc(NC2CCC(C)(C#N)CC2)c1 496016317 RNUDTRKJBGTMHJ-UHFFFAOYSA-N 287.363 3.749 30 20 CHED C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1C 499827891 HQNZATZMSWOSAZ-AOOOYVTPSA-N 268.282 3.669 30 20 CHED C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)CC(C)(C)C#N 505287688 NSHDBOKKEHBGNY-DYVFJYSZSA-N 284.403 3.756 30 20 CHED Cc1cc2cc(CN(C)C[C@H](C)C#N)oc2cc1C 509790836 YCSGCLGOUMDLTR-LLVKDONJSA-N 256.349 3.641 30 20 CHED C=C(C)CCN(Cc1ccccc1)C[C@](C)(O)CC 510780545 RCQSQZBJMLADHR-QGZVFWFLSA-N 261.409 3.616 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H](C)C1CCCCC1 512746488 JAJAMIAYUIJDBM-CQSZACIVSA-N 284.403 3.908 30 20 CHED C=C1CCN(Cc2ccc(Br)cc2F)CC1 513450497 KOABWCCHTNARHB-UHFFFAOYSA-N 284.172 3.740 30 20 CHED Cc1cccc(N(C)Cc2cccc(C#N)c2)c1C 515744457 IPBNLTOGJGHKPD-UHFFFAOYSA-N 250.345 3.812 30 20 CHED CC(C)CCOCCSc1cccc(F)c1C#N 516584917 FTQSHCOMHNUQAE-UHFFFAOYSA-N 267.369 3.852 30 20 CHED CC(C)CN(C(=O)Nc1cccc(C#N)c1)C1CCCC1 521763884 CMJQLOKOLVONRE-UHFFFAOYSA-N 285.391 3.991 30 20 CHED CCCc1cc(O)nc(S[C@@H](C#N)C2CCCCC2)n1 524533598 BSXLNACDGQFGKJ-ZDUSSCGKSA-N 291.420 3.699 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1cc(C)no1 527361881 FXQQUKHJUJBMDD-UHFFFAOYSA-N 273.332 3.608 30 20 CHED CCC(C#N)(CC)c1nc(Cc2ccc(C)c(OC)c2)no1 528079169 VSRXNPJKZXTLKM-UHFFFAOYSA-N 299.374 3.559 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(-c2ncco2)ccc1C 528908148 GGUYMWWJQDSGTF-UHFFFAOYSA-N 297.358 3.919 30 20 CHED C[C@@H]1CCCC[C@H]1CCNCc1cc(C#N)cs1 531356463 NWGKWTNVAHZANV-OCCSQVGLSA-N 262.422 3.926 30 20 CHED CC(C)CCc1ccc(NC(=O)NC[C@@H](C)C#N)cc1 531799900 ZHDSKUQNFOJCER-ZDUSSCGKSA-N 273.380 3.556 30 20 CHED COc1ccc(CN2[C@H]3CCCC[C@@H]3C[C@H]2C)cc1C#N 533539386 QTGXNCMAZJFCJO-UNEWFSDZSA-N 284.403 3.720 30 20 CHED C=CCCOCCCCC(=O)N(C1CCCC1)C1CC1 537194224 ZZQVRGAOGVYGBN-UHFFFAOYSA-N 279.424 3.683 30 20 CHED CC(C)c1ccc(OC2CCN(CC3(C#N)CC3)CC2)cc1 537211718 UPRMQOSKCGPOEP-UHFFFAOYSA-N 298.430 3.957 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)C1CC1 537933405 WLMGYNLMYXHBLC-NEPJUHHUSA-N 293.769 3.760 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCO[C@H](C(C)C)C1 540136721 TUXJOCPZYAOUCC-JYJNAYRXSA-N 253.430 3.915 30 20 CHED Cc1ccnc(NCc2ccccc2COC(C)C)c1C#N 542281568 GKTURTSAELBXSW-UHFFFAOYSA-N 295.386 3.799 30 20 CHED C=CCCc1nc(Cc2c[nH]c3cc(Cl)ccc23)no1 546391225 JOFASHSJWPRFRV-UHFFFAOYSA-N 287.750 3.914 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1c(C#N)nnc2ccccc12 546879879 AJYKJGCGBQBDDY-VIFPVBQESA-N 294.280 3.644 30 20 CHED Cc1cccc(CCC(=O)N[C@@](C)(C#N)C2CCCCC2)c1 550742816 BUIDCCVJNADZSB-IBGZPJMESA-N 298.430 3.906 30 20 CHED CCOc1cc2c(cc1N[C@@H]1CC[C@@H](C#N)C1)O[C@H](C)C2 555948373 OUDIGPREDWOGHT-YRGRVCCFSA-N 286.375 3.513 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1cc2ccccc2o1 559101329 GLSLKGIAUVKAJN-AWEZNQCLSA-N 284.359 3.683 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2cccc(F)c2F)CC1 565756728 WAPZUWNSWHOEFH-UHFFFAOYSA-N 293.357 3.883 30 20 CHED CC(C)CC1(C)CCN(C(=O)Cc2cccc(C#N)c2)CC1 567289959 ZGHMQYMYQQVNKX-UHFFFAOYSA-N 298.430 3.776 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)[C@@H]1CC[C@H](C)C1 571961905 RRUXYQHVHGFIBI-DZGCQCFKSA-N 288.439 3.747 30 20 CHED N#CC1(CNC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 573048978 PVRBFIDHLOFFLO-INIZCTEOSA-N 297.402 3.521 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 588159197 AAXAQVISUDIZEA-RRFJBIMHSA-N 262.397 3.545 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(C)s2)cc1 588419330 FIVHKUDFXHGOEH-KTKRTIGZSA-N 285.368 3.911 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccccc2C#N)ccc1O 588618451 SPDPYVWMTWMWKR-CLFYSBASSA-N 293.322 3.559 30 20 CHED CC[C@@H](C)N(C)C(=O)c1sc2ccc(C#N)cc2c1C 590035568 GYLXSRJROWYWJE-SNVBAGLBSA-N 286.400 3.952 30 20 CHED COc1ccc(NC(=O)CCCCCC#N)cc1SC 590914674 NTVUVOZAEMOHNL-UHFFFAOYSA-N 292.404 3.830 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 590996724 HLROXXUZBGUPNA-IUCAKERBSA-N 262.378 3.512 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 593618356 IXDZSPHRGSCRCH-DDBAPUKQSA-N 296.414 3.721 30 20 CHED N#CCCCN1CCC(CCc2ccc(F)cc2F)CC1 594019651 OXEHZECFTNTCMD-UHFFFAOYSA-N 292.373 3.913 30 20 CHED C=C(C)CCc1noc([C@H](C)Cc2ccc(C#N)cc2)n1 594541481 XGLYJVCHUHYUJI-CYBMUJFWSA-N 281.359 3.796 30 20 CHED CCOc1ccc(CNCc2ccc(C#N)cc2F)c(C)c1 594919644 IIAQUNWRRCVXHD-UHFFFAOYSA-N 298.361 3.694 30 20 CHED C=CCCSCCNCc1sccc1Cl 594960844 XJDZMZVUTFYQHB-UHFFFAOYSA-N 261.843 3.800 30 20 CHED CO[C@H](CNC1CCC(C)(C#N)CC1)C1CCCCC1 594996070 RIRJYTLZIZTYAH-AQFXKWCLSA-N 278.440 3.644 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)C1CCCCC1 595060216 KHGWFRNOABPGLB-AWEZNQCLSA-N 256.393 3.659 30 20 CHED CC1(C)CCC[C@H]1Nc1nc(C#N)c(Cl)s1 596152724 LRVPIHAXXUFMJN-MRVPVSSYSA-N 255.774 3.659 30 20 CHED C[C@H](C#N)N(C(=O)[C@H]1CCC[C@H]1Cc1ccccc1)C1CC1 598136777 JMSOOPXGBYAXHM-HFTRVMKXSA-N 296.414 3.548 30 20 CHED N#CC1(CC(=O)N[C@@H]2CC[C@@H]2c2ccccc2)CCCCC1 598303878 CDOGVXQDNXWDON-IAGOWNOFSA-N 296.414 3.913 30 20 CHED CC1(c2noc(Cc3c(F)cccc3C#N)n2)CCCC1 599198836 VCTQPAMFRTUXCU-UHFFFAOYSA-N 285.322 3.503 30 20 CHED N#Cc1cccc(S[C@H]2CCO[C@@H](c3ccncc3)C2)c1 600530975 ULGJFULUWIFFOM-DLBZAZTESA-N 296.395 3.966 30 20 CHED CCCCc1cc(Oc2ccc(C#N)cc2F)ncn1 601131795 QYQXOSJGCKATSM-UHFFFAOYSA-N 271.295 3.622 30 20 CHED CC(C)(C)c1cnc(CNc2cc(F)cc(C#N)c2)o1 601924155 RDMGFRUMAJXKHS-UHFFFAOYSA-N 273.311 3.595 30 20 CHED Cc1cc(C)n(-c2ccccc2NC[C@@H](C)CCC#N)n1 602493906 UBLLRAZLGQWZPW-ZDUSSCGKSA-N 282.391 3.841 30 20 CHED N#CCCCN(Cc1ccccc1)[C@H](CO)c1ccccc1 602923370 UWINILBPNWKVJL-LJQANCHMSA-N 294.398 3.526 30 20 CHED C=CCCSc1n[nH]c(/C=C\c2ccccc2)n1 606754613 LFRFDWSUINFVSF-KTKRTIGZSA-N 257.362 3.643 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)c1ccco1 607462225 OEEWKSCSOCGWCD-AWEZNQCLSA-N 269.344 3.598 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(C#N)c1 609043011 QKHQZBIIYIXLQF-SJORKVTESA-N 299.418 3.716 30 20 CHED C=CCCCS[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 609804773 HPENSNGEWKELES-CABCVRRESA-N 291.460 3.994 30 20 CHED C=CCCCCCN(C)c1c(C#N)nnc2ccccc12 610131258 DMTUKYBDYKXTJM-UHFFFAOYSA-N 280.375 3.684 30 20 CHED CC(C)[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1F 610969988 BRZKFINVXRGYKX-GDBMZVCRSA-N 260.356 3.612 30 20 CHED Cc1cc(C)c(NC(=O)N2CCC[C@](C)(C#N)C2)c(C)c1 612290599 FLVKYFNNUZYLTI-QGZVFWFLSA-N 285.391 3.769 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C(C)(C)C)C(F)(F)F 614407176 GZHBDJTUMOIBIY-ZDUSSCGKSA-N 284.325 3.933 30 20 CHED C[C@@H](NC1CCN(CC#N)CC1)c1cc2ccccc2s1 615085906 OPBJTVQZMYMIIO-CYBMUJFWSA-N 299.443 3.540 30 20 CHED C=CCC1(NC(=O)CCCc2cccnc2)CCCCC1 615960642 GYOZRHBBEHASRH-UHFFFAOYSA-N 286.419 3.800 30 20 CHED C=CCN(C(=O)C[C@H](CC)c1ccccc1)[C@H](C)COC 617578699 OZJMLVFDSQYQAC-CVEARBPZSA-N 289.419 3.620 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 617788108 BBBJAOCHPDWTGL-AWEZNQCLSA-N 295.386 3.505 30 20 CHED CC(C)c1cnc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 618741668 JUWWXIJETDYVMO-OAHLLOKOSA-N 297.427 3.915 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 619214031 JKVHOWXPSBTALB-IAGOWNOFSA-N 269.388 3.817 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ccc1C#N 619548986 STOLZIFRITUHLO-HOCLYGCPSA-N 299.418 3.644 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cnc(C2CC2)o1 628312387 ZTBWQHZQFHHTFH-INIZCTEOSA-N 282.387 3.829 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC(C)(C)C[C@H](C)O 657921733 ZZALTCKFGNPPFQ-ZNMIVQPWSA-N 253.430 3.508 30 20 CHED C=CCCOc1ccccc1-c1cscc1CCO 665192419 MXLBSCFZSAGGFB-UHFFFAOYSA-N 274.385 3.905 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)Cc1ccsc1 669803484 ODJUPNYJHBPOQH-LBPRGKRZSA-N 290.436 3.676 30 20 CHED COCC#CCN1CCC[C@@H]1c1cccc2ccccc12 677133495 ZEDNAFXRWCMSRI-LJQANCHMSA-N 279.383 3.627 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1coc(C2CC2)n1 681597226 UZJPWTTZGQIQEF-UHFFFAOYSA-N 288.391 3.761 30 20 CHED C=CC[C@H]1CCCC[C@@H]1Nc1nc(C)ccc1C(=O)O 692213145 FLLDPRDSPRZLRK-JSGCOSHPSA-N 274.364 3.635 30 20 CHED CC(C)COC(=O)c1occc1COc1cccc(C#N)c1 726690226 UZPOSBOTRJDLGX-UHFFFAOYSA-N 299.326 3.543 30 20 CHED CC[C@H](NC(=S)N(CC)C[C@@H](C)C#N)c1cccs1 734374859 OJCPJNCJSYKEND-RYUDHWBXSA-N 295.477 3.555 30 20 CHED C=CC[C@H](NC(=O)N1CCCC[C@H]1CC)c1ccncc1 734680178 SIYPHVZTFTXSGK-CVEARBPZSA-N 287.407 3.673 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 735535666 KAVIRJUFHMCQQK-WDEREUQCSA-N 266.287 3.578 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(F)cc1O 735615418 OZLQMRPQLDEFKU-UHFFFAOYSA-N 280.249 3.646 30 20 CHED N#Cc1ccccc1CNc1cc(Cl)cc(C(=O)O)c1 739147618 XQGJVOBOLAKZOJ-UHFFFAOYSA-N 286.718 3.522 30 20 CHED CC(C)C(=NNc1cccc(C(F)(F)F)n1)C1CC1 739422078 RZNDCTFEVZDVCX-UHFFFAOYSA-N 271.286 3.934 30 20 CHED NC(=NOCc1ccc2ccccc2c1)c1ccc(F)cc1 739899789 TYGLTIINUMETMZ-UHFFFAOYSA-N 294.329 3.816 30 20 CHED CCC(=NNc1ccccc1C(F)(F)F)[C@H]1CCOC1 741837441 KHDDWROJIWDGFI-JTQLQIEISA-N 286.297 3.920 30 20 CHED CCCCCCCC(=O)Nc1cc(CC)nc(C)n1 741984254 SEYRYEBPHMFQIN-UHFFFAOYSA-N 263.385 3.646 30 20 CHED Cc1ncsc1/C=C1/C(=O)c2c(O)ccc(F)c2[C@H]1C 742432414 WBUPFPCHIJBQOX-JGESFRBXSA-N 289.331 3.680 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)CCc2c(O)cccc21 742435180 QWQKVAWUDCVNLI-KTKRTIGZSA-N 286.277 3.883 30 20 CHED CCC(=NNc1c(C)cc(C)cc1C)[C@H]1CCOC1 743445294 NOJZLOQKYGOGKJ-AWEZNQCLSA-N 260.381 3.826 30 20 CHED C/C(=C/C(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 743775462 MUFPMGJCUOXMMX-SZGZABIGSA-N 290.366 3.839 30 20 CHED CCCCCCCOC(=O)CC[C@H]1CC[C@H](C)O1 744047020 KPSRCXHMOSGYMI-UONOGXRCSA-N 256.386 3.848 30 20 CHED C#CCCCOC(=O)[C@H](C)c1ccccc1C(F)(F)F 744049096 HQJZUIQQEGPVCE-LLVKDONJSA-N 284.277 3.766 30 20 CHED CC(=NNC(=S)NCCC(C)C)[C@H](C)c1ccccc1 746368776 NEWTVDKKENOVFW-ZDUSSCGKSA-N 291.464 3.676 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)CCc2c(O)cccc21 749005284 JSANUMROQJRLKW-DHZHZOJOSA-N 285.730 3.653 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(C=O)[nH]1 749917622 BHBOSAXSBQJFJQ-UHFFFAOYSA-N 278.396 3.650 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc2c(c1)OCO2 750894910 CGTFYLOSSZMMRF-UTCJRWHESA-N 284.286 3.759 30 20 CHED COC(=O)c1occc1/C=C1\C[C@H](C)c2ccccc2C1=O 751535317 IYNBMYFFOMIUOF-CDDSVFCYSA-N 296.322 3.840 30 20 CHED N#Cc1cccc(/C=C2/Cc3c(F)cc(F)cc3C2=O)c1 751537150 VXMUNUNYMGICQH-XGICHPGQSA-N 281.261 3.659 30 20 CHED C=C(Cl)CNC(=O)CCOc1cc(C)ccc1C(C)C 751982215 IGFWRMGNRJDLHH-UHFFFAOYSA-N 295.810 3.756 30 20 CHED C/C(=C/C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC1 752048796 ZVGKRCVFJJKDLQ-BKQMNKEASA-N 294.398 3.641 30 20 CHED Cc1ccc(C(C)C)c2c1C(=NNc1cnccn1)CCO2 753923717 JEKFENGBLBTCHH-UHFFFAOYSA-N 296.374 3.507 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)C1CCOCC1 754712262 IRXSIKHHBKLQSV-UHFFFAOYSA-N 287.281 3.887 30 20 CHED O=[N+]([O-])c1cccc(NN=C[C@H]2CCc3ccccc32)c1 755482547 VPZGSAJUXCZYBW-CYBMUJFWSA-N 281.315 3.723 30 20 CHED Oc1cccc(Cl)c1C=NOCc1ccccc1 755632619 SFFSCVVVURHSCX-UHFFFAOYSA-N 261.708 3.596 30 20 CHED Fc1ccc(CNN=Cc2cccc3[nH]ccc23)cc1F 755656251 HXMWMBQJXOLTQY-UHFFFAOYSA-N 285.297 3.570 30 20 CHED C(=NNCCCc1ccccc1)[C@@H]1CCc2ccccc21 755696097 JKMOWOZVRXUTIV-SFHVURJKSA-N 278.399 3.925 30 20 CHED COc1cccc(CC(=NO[C@H]2CCCCO2)C2CC2)c1 755813332 DXXMQUGEHPJBCS-KRWDZBQOSA-N 289.375 3.547 30 20 CHED CC(CCc1cccc(C)c1)=NO[C@@H]1CCCCO1 755816543 GSWGNBMZYYWDIP-MRXNPFEDSA-N 261.365 3.847 30 20 CHED CCCCCCCCCNC(=O)N[C@H]1CC[C@@H](CO)CC1 757584090 SCVRDMLOZCOJQB-IYBDPMFKSA-N 298.471 3.587 30 20 CHED C#CCCCC(=O)Nc1nc(-c2ccccc2)c(C)s1 757807722 WBSFXLBIHWCFII-UHFFFAOYSA-N 284.384 3.861 30 20 CHED CCCCCCOc1cccc(CNC[C@@H](C)C#N)c1 757904526 AFEPYGSOODRQTB-HNNXBMFYSA-N 274.408 3.895 30 20 CHED C=CCCC(C)=NNc1ncccc1C(F)(F)F 758105812 OANOQPBILKRGET-UHFFFAOYSA-N 257.259 3.854 30 20 CHED C=C(C)CNC(=S)Nc1cnn([C@@H](C)CC)c1C1CC1 762454349 YYICVLKJPJVMBL-NSHDSACASA-N 292.452 3.594 30 20 CHED Cc1cc(OC(=O)c2ccc(F)cc2Cl)ccc1C#N 765093551 LGJPXIMADJTCFL-UHFFFAOYSA-N 289.693 3.878 30 20 CHED Cc1cc(OC(=O)[C@H](C)c2ccsc2)ccc1C#N 765113122 LRBOSSXKTOZRIG-LLVKDONJSA-N 271.341 3.637 30 20 CHED CCO[C@H]1CCCC1=NNc1ccc(Br)cc1 766434984 VHHLRWXNAONJBM-ZDUSSCGKSA-N 297.196 3.806 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCC[C@](C)(O)C1 766771931 MXKQWJNOTHHFCH-RDJZCZTQSA-N 298.471 3.539 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2cncc(C)c2)c1C 767367601 PFLJTMWMWBFKCZ-SREVYHEPSA-N 283.375 3.509 30 20 CHED CON=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 767492343 SNHYFDSPPZRCIH-UHFFFAOYSA-N 290.250 3.507 30 20 CHED C#CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 767895930 WWVZCHSSFCDVKX-UHFFFAOYSA-N 296.197 3.555 30 20 CHED CC/C=C(/C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767968140 BQHRNRDUUHDURC-CPSFFCFKSA-N 280.371 3.530 30 20 CHED Cc1ccsc1CCCC(=O)OCC1(C#N)CCC1 768086742 OMUAQHGZCXTJCS-UHFFFAOYSA-N 277.389 3.616 30 20 CHED N#CC1(COC(=O)CSc2ccc(Cl)cc2)CCC1 768103715 PJYDBABMPHALFG-UHFFFAOYSA-N 295.791 3.669 30 20 CHED C[C@H]1CCC[C@H](C=NNc2nncc3ccccc23)C1 768352900 TVNSPBBFZRCJQF-STQMWFEESA-N 268.364 3.854 30 20 CHED COc1cccc(NN=C(C)c2ccc(O)c(Cl)c2)c1 768773400 NNIHDVCLPMSMCB-UHFFFAOYSA-N 290.750 3.890 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccccc2CC)c1 770542582 PIFPMQAPIDFNPD-UHFFFAOYSA-N 277.367 3.897 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccsc2)ccc1F 770572837 LYXUEPOYFFBHCJ-RQOWECAXSA-N 257.289 3.655 30 20 CHED CCCC(=CC(=O)NCC#Cc1ccccc1)CCC 770622549 FHNPDKRNOJUBDT-UHFFFAOYSA-N 269.388 3.681 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cnccc1C 771551476 ZCUGXDQYLNNAAL-UHFFFAOYSA-N 253.349 3.843 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3ccc(O)c(C)c3)n2c1 771858217 HSWYZWRFHLGNEQ-FNORWQNLSA-N 292.338 3.553 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1ccc(C#N)s1 773125473 PAFAEUJMHOEXSP-ZDUSSCGKSA-N 261.394 3.512 30 20 CHED C=C(CC)COC(=O)c1ccc2nc(C)ccc2c1 773538005 YZXHXBOSKKGDQE-UHFFFAOYSA-N 255.317 3.666 30 20 CHED CCCCn1nc(C)c(C=NOC2CCCC2)c1Cl 774596810 LUXQDWRKXDBWRP-UHFFFAOYSA-N 283.803 3.938 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NOC2CCCC2)c1 774597264 STMKHGZTIZNLBW-UHFFFAOYSA-N 269.348 3.678 30 20 CHED C=CC[C@@H]1N(Cc2ccc(F)nc2)CCCC1(C)C 775180560 ZZJCPDLOLYYEAA-AWEZNQCLSA-N 262.372 3.787 30 20 CHED C[C@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1F 776113339 MZEZNFLAEIFGAF-ZDUSSCGKSA-N 297.329 3.739 30 20 CHED CCCCCCCCCNC(=O)[C@@H]1CCO[C@@H](C)C1 776462619 YDMBSBDRWSEGAM-LSDHHAIUSA-N 269.429 3.668 30 20 CHED FC(F)(F)CCON=C1CCc2c(Cl)cccc21 777460582 YFEHDKMULWRYKE-UHFFFAOYSA-N 277.673 3.959 30 20 CHED C(/C=C\c1ccccc1)=NNc1ccc2[nH]ncc2c1 779811406 GRBHTAQOQVDFHJ-HKWHNATCSA-N 262.316 3.674 30 20 CHED COCC(=NNc1cc([N+](=O)[O-])ccc1C)C1CCCC1 780219962 SNFJDZVRQOZNEY-UHFFFAOYSA-N 291.351 3.508 30 20 CHED COc1ccc(NN=C(C)CCc2ccccc2F)nc1 780267177 GYCFGAFBQMFHHS-UHFFFAOYSA-N 287.338 3.650 30 20 CHED Cc1ccc(-c2ccc(C(=O)OC3(C#N)CCC3)s2)o1 781821444 ZSLTZXDQYSUPJP-UHFFFAOYSA-N 287.340 3.920 30 20 CHED CNc1ccccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 782036209 PTAPDFXSFFZMCG-LBPRGKRZSA-N 280.327 3.518 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCCC(C)(C)CC 782443540 MYDUAKQYMGAMKJ-HNNXBMFYSA-N 256.386 3.585 30 20 CHED C=C(Cl)CN1CCC(CCCN(CC)CC)CC1 782536556 OYCULUYLWOINCC-UHFFFAOYSA-N 272.864 3.573 30 20 CHED C=CCCN(C[C@H](O)c1ccccc1)OCc1ccccc1 782669085 KWQJYTCFPXVGHX-IBGZPJMESA-N 297.398 3.730 30 20 CHED COC(=O)c1ccccc1NN=C[C@H]1CCCC[C@@H]1C 783860246 XFHCEZSCPVNMIM-QWHCGFSZSA-N 274.364 3.697 30 20 CHED C=C[C@](C)(CC)COC(=O)c1ccc(-c2n[nH]c(C)n2)cc1 786524563 OYPZUGUQWZPCSX-QGZVFWFLSA-N 299.374 3.539 30 20 CHED c1ccc(C[C@H]2CCCC2=NNCCc2ccncc2)cc1 789097283 GVHIEFZUDUZZMK-GOSISDBHSA-N 293.414 3.613 30 20 CHED CC[C@H](C)CON=C(Cc1ncccc1C)C(F)(F)F 793160541 VHNQTYLZBXKOSS-JTQLQIEISA-N 288.313 3.914 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 793537715 YRVYUXNOQQVINE-JONQDZQNSA-N 265.441 3.915 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc(OCC(C)C)cc1 794697502 ZZWFCMVGFQWZCY-MDZDMXLPSA-N 298.386 3.659 30 20 CHED COc1ccc(CCNN=Cc2ccc3occc3c2)cc1 794908741 MZYUAJMZZNTQTF-UHFFFAOYSA-N 294.354 3.608 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1cccc(F)n1 795009812 KXMQHHPFWBCLQM-UHFFFAOYSA-N 275.302 3.780 30 20 CHED CO[C@@H]1CCC[C@@H](CC(=O)OCCCCC(C)(C)C#N)C1 796063593 RJTIWBYRTQQVKV-HUUCEWRRSA-N 295.423 3.845 30 20 CHED CCc1ccnc(C/N=C/c2cc3ccccc3nc2O)c1 797785139 UWJPXVBCPHQODB-YBFXNURJSA-N 291.354 3.517 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1ccc(C#N)cc1 797787131 CFJRXMLLCZDENB-UHFFFAOYSA-N 279.368 3.789 30 20 CHED Fc1ccc(Br)c(F)c1CON=C1CCC1 797845362 NXFCNXMEBHNRFI-UHFFFAOYSA-N 290.107 3.784 30 20 CHED Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1C 799432726 FDIGCZOPGGRNCX-NTMALXAHSA-N 276.339 3.827 30 20 CHED C=CCCCOC(=O)C(C)(C)COCc1ccccc1 800291132 ICYOWRJLBFWTIW-UHFFFAOYSA-N 276.376 3.739 30 20 CHED CC(C)[C@@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1F 801939015 OPICSSRNPYWILW-IAQYHMDHSA-N 298.789 3.694 30 20 CHED CCOc1ccc2ccccc2c1OCCO[C@@H](C)C#N 802736537 ZQJOCHKNUKGQJZ-ZDUSSCGKSA-N 285.343 3.546 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H]1CCc2c(Cl)cccc21 803438867 JDQOTJFGQBJBRJ-CQSZACIVSA-N 276.763 3.920 30 20 CHED C[C@H]1C[C@H](CCNc2nc(Cl)c(C#N)s2)C[C@@H](C)O1 804697490 IAYDLFHIMVXVIM-ILWJIGKKSA-N 299.827 3.674 30 20 CHED C=CCCCCCCNC(=O)c1cccc2nc(C)[nH]c12 805217874 MZQQXPYMWVVANH-UHFFFAOYSA-N 285.391 3.738 30 20 CHED C=C(CNC(=O)/C=C\c1cccc(F)c1)c1ccccc1 805250053 KYGLKIUZFRBISZ-KHPPLWFESA-N 281.330 3.669 30 20 CHED Cc1cccc(/C=C\C(=O)c2cccc(C(=O)O)c2)c1 806559108 UXQMITTXAYIAET-HJWRWDBZSA-N 266.296 3.589 30 20 CHED C#CCCCCNC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 806959152 LBUIBALBXVXLPZ-FUHWJXTLSA-N 298.430 3.973 30 20 CHED C#C[C@@H](NC(=O)c1sc(C(C)(C)C)nc1C)C(C)(C)C 807882161 WPHWCTGWRWNZTJ-LLVKDONJSA-N 292.448 3.527 30 20 CHED COc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2C)cc1 807991993 XGGZKVCKGDBJJR-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1nccnc1C1CCC1 807992251 BOEQDZXQXOYOLF-GXTWGEPZSA-N 272.396 3.968 30 20 CHED Fc1cc(Cl)ccc1C=NNCC1CCCC1 808006489 XELDOCVTOLCXBI-UHFFFAOYSA-N 254.736 3.593 30 20 CHED Cc1csc(NC(=O)c2cc(Cl)cs2)c1C#N 809004490 ASPOJLPBDMZHLS-UHFFFAOYSA-N 282.777 3.895 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C2\CC[C@H](C)C2)cc1 809258219 ODOMSPDUPDGXSC-ZDGMZETASA-N 282.387 3.676 30 20 CHED C#CCN(Cc1ccccc1)Cc1cc2ccccc2[nH]1 809717456 IESFWDUXCHVOLO-UHFFFAOYSA-N 274.367 3.803 30 20 CHED CCCCCCCCOC(=O)c1nnc2ccccc2n1 810539956 VMEAKTKMWFMEAU-UHFFFAOYSA-N 287.363 3.542 30 20 CHED C#C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 811517201 KYTAPRDQVVSPEE-KCXAZCMYSA-N 272.779 3.686 30 20 CHED C=CCCCCCCCNC(=O)NCc1ccc(C#N)cc1 811859574 ZWXYQMXNLYIMGO-UHFFFAOYSA-N 299.418 3.884 30 20 CHED C#C[C@H](C)N(C)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 812185389 QDRWWYMOZMOWNX-LSDHHAIUSA-N 298.430 3.505 30 20 CHED CCc1nc2c(s1)C(=NOCCC1CC1)CCC2 814245990 QPEDWHWDNVYIQC-UHFFFAOYSA-N 264.394 3.563 30 20 CHED CC(Cc1c(Cl)cccc1Cl)=NNc1ncccn1 814797809 PZAQWVUARXWJBR-UHFFFAOYSA-N 295.173 3.814 30 20 CHED Clc1ccc(C=NNc2nccc3sccc23)o1 814808931 LLBJJEHSVPRCHM-UHFFFAOYSA-N 277.736 3.989 30 20 CHED CCC(=NNc1cc([N+](=O)[O-])ccc1C)c1cccc(N)c1 814822855 HDDPOBLSVMSJDO-UHFFFAOYSA-N 298.346 3.712 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1cccc2cnccc12 814836408 PPARKDIIRGSPCU-UHFFFAOYSA-N 297.358 3.668 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1ccc(Cl)c(F)c1 814862862 SKWIOHZEUIFZCT-UHFFFAOYSA-N 298.745 3.912 30 20 CHED CSC(C)(C)CC=NNc1nccnc1C(C)C 814915720 FVRBVIGPPIKOME-UHFFFAOYSA-N 266.414 3.529 30 20 CHED Cc1sccc1C=NN[C@H]1CCCCC1(C)C 814917577 NIUNRFAQOJGWOG-ZDUSSCGKSA-N 250.411 3.949 30 20 CHED N#CC1(CSCC[C@H]2CC2(Cl)Cl)CC1 818156602 JNPSXGUYQFBCBA-QMMMGPOBSA-N 250.194 3.607 30 20 CHED CC(CSC(C)(C)C)=NN[C@@H](C)c1ccncc1 819814907 IAQFJBIGVJOXOA-LBPRGKRZSA-N 265.426 3.640 30 20 CHED C#C[C@@H](NC(=O)N(C1CCCCC1)C1CC1)c1ccccc1 820598552 DAQKAONWAMECEM-GOSISDBHSA-N 296.414 3.868 30 20 CHED Cc1cc(NC2CCC(C)(C#N)CC2)ccc1N(C)C 823534851 WMQJJPKNFYZDMU-UHFFFAOYSA-N 271.408 3.945 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@]1(C)CC1(Cl)Cl 827866034 DADOZVXXTDYGLY-JQWIXIFHSA-N 278.223 3.821 30 20 CHED CCc1nocc1/C=C\C(=O)c1cc(C)cc(C)c1 834425299 OXAXZSPMIKHXII-WAYWQWQTSA-N 255.317 3.750 30 20 CHED C[C@]1(CN[C@@H]2CCc3ccc(C#N)cc32)CC1(Cl)Cl 834885757 XTVOFAFDEPEYTO-ZIAGYGMSSA-N 295.213 3.719 30 20 CHED COCC1CCC(=NNCc2ccc(Cl)cc2)CC1 834962763 VYKCCAGNCBCLAB-UHFFFAOYSA-N 280.799 3.622 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@H](C)CC[C@H]2C)n1 834963264 SLOHISLHOYJIQD-RKDXNWHRSA-N 266.776 3.662 30 20 CHED C[C@H](NN=Cc1cccc(C(F)(F)F)c1)C(F)(F)F 834997477 YVMKNAQUCJFEFN-ZETCQYMHSA-N 284.203 3.580 30 20 CHED CC(C)(C=NNc1cc(Cl)ccc1[N+](=O)[O-])CCC#N 835009510 UPNKSGPVRIZSQG-UHFFFAOYSA-N 294.742 3.976 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)[C@@H](C#N)c1nc(C)cs1 835035708 HWGMVEWEGMGAKE-RKDXNWHRSA-N 290.310 3.606 30 20 CHED C=CCONC(=O)Nc1ccc(SC2CCCC2)cc1 836268806 OHXQGWFTWHRQLF-UHFFFAOYSA-N 292.404 3.960 30 20 CHED C=CCONC(=O)Nc1ccc(SC(C)(C)C)c(F)c1 836720407 IAQLMQGYFPYFHR-UHFFFAOYSA-N 298.383 3.955 30 20 CHED C#CCC[C@@H](C)OC(=O)C[C@H](C=C)c1ccccc1 839037061 LSHPFSBAXYQPOV-CABCVRRESA-N 256.345 3.691 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H](C)Oc1ccc(SC)cc1 839041808 YDZCYVIHZSHIEC-QWHCGFSZSA-N 292.400 3.521 30 20 CHED Cc1ccc(C[C@H](C)C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 839049622 HMHJOWSDCRAXJF-XIRDDKMYSA-N 285.387 3.799 30 20 CHED C[C@H](CC(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1F 839055143 XNJYCMBLSPFMRC-RDBSUJKOSA-N 289.350 3.945 30 20 CHED Cc1cc([C@@H]2CCCN2CCC2(C#N)CCCCC2)no1 839459724 QPAMUBPFRGOJOB-INIZCTEOSA-N 287.407 3.984 30 20 CHED N#CC1(CCOC(=O)CC[C@@H]2CCCCO2)CCCCC1 840228744 RZCHUSITMXEPKX-HNNXBMFYSA-N 293.407 3.743 30 20 CHED CO[C@H]1CCC[C@@H](C(=O)OCCC2(C#N)CCCCC2)C1 840577276 LXRSHMCZHXWAMT-CABCVRRESA-N 293.407 3.599 30 20 CHED CO[C@@H](C=NNc1nc(C(F)(F)F)cs1)CC(C)C 841629840 WQAOQRGTWDEREP-MRVPVSSYSA-N 295.330 3.621 30 20 CHED C[C@@H](CO)N(C)N=C1CCC[C@H](c2ccc(Cl)cc2)C1 842539063 RJHHOELVUJBTRT-JSGCOSHPSA-N 294.826 3.666 30 20 CHED N#C[C@@H](C(=O)/C=C\C1CCCC1)c1nc2ccccc2o1 842694234 TUVIDOLAXZENII-XPSMFNQNSA-N 280.327 3.750 30 20 CHED C#CCCCC(=O)OCCO[C@H](CC)c1ccccc1 845152610 LHSCOQYJSOBULW-MRXNPFEDSA-N 274.360 3.501 30 20 CHED N#CCC1(OC(=O)CCCc2c(F)cccc2F)CCC1 847705551 XKKLMBVPBSVYHH-UHFFFAOYSA-N 293.313 3.667 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@H]1NCc1ccc(OCC#N)cc1 850444209 VOYCLUZQHRDXBF-IXDOHACOSA-N 284.403 3.503 30 20 CHED C[C@H](CC1CCOCC1)OC(=O)CC1(C#N)CCCCC1 851018643 PQIAVIZJMAZVPH-CQSZACIVSA-N 293.407 3.599 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)CCc1nccs1 851140654 ADIBSNVKNZOWEF-CHWSQXEVSA-N 279.405 3.754 30 20 CHED CC(C)c1[nH]ccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851206327 QNMZDJFFBOYTGP-NSHDSACASA-N 262.353 3.623 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)Cc1ccc(F)cc1 851209779 JYQVBOSANJIBQX-OLZOCXBDSA-N 291.366 3.876 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCc1ccc(F)cc1 851214197 OGBMZHFNJVBVDA-LBPRGKRZSA-N 277.339 3.630 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc(F)cc1F 853255867 JSLJPRHVPDBMIA-UHFFFAOYSA-N 251.280 3.692 30 20 CHED C=C(C)CCNC(=O)OCc1cccc(Cl)c1 859176456 PDSXBNOCKAEFMG-UHFFFAOYSA-N 253.729 3.532 30 20 CHED C[C@@H](CC(=O)OCc1ccc(F)c(C#N)c1)c1ccco1 859813270 JCTCNLOABILSEM-NSHDSACASA-N 287.290 3.527 30 20 CHED C=CCN(C(=O)/C=C\c1ccc(SC)s1)C1CC1 860575149 BICWCWCWLFTFIM-VURMDHGXSA-N 279.430 3.660 30 20 CHED COc1ccc(CNc2cccc(Cl)c2C#N)cc1C#N 864011955 JGHDNSZCFGIXJI-UHFFFAOYSA-N 297.745 3.704 30 20 CHED C#CCCCCCCN[C@@H](c1ccccc1)c1nccn1C 876921425 OSZSPDUZYXMYCA-SFHVURJKSA-N 295.430 3.683 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc(C#N)ccc1F 888359767 OEHMGYIMOJFXKN-UHFFFAOYSA-N 289.354 3.907 30 20 CHED C#Cc1ccc(C(=O)N(c2ccccc2)[C@@H](C)C(C)C)nc1 894224556 GRTIIKBIDYFZHW-HNNXBMFYSA-N 292.382 3.754 30 20 CHED C=CC(C)(C)Cc1nc(Cc2cccc3cccnc23)no1 895975359 VTLJPBWHLVJIAN-UHFFFAOYSA-N 293.370 3.963 30 20 CHED Cc1cnccc1N1CCC(c2ccc(C#N)cc2)CC1 896864960 PKTXXRGJIBSGMK-UHFFFAOYSA-N 277.371 3.646 30 20 CHED N#CC1(CCCCn2cccc(C(F)(F)F)c2=O)CCC1 901455339 DAGMGZOLBBVJOH-UHFFFAOYSA-N 298.308 3.731 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2C2CC2)nn1C 901556725 JKDHKJLVRFTDTG-KTKRTIGZSA-N 266.344 3.502 30 20 CHED CC[C@H](NCc1cccnc1C)c1cccc(C#N)c1 903070330 UEMRUIGWKYVTOU-KRWDZBQOSA-N 265.360 3.503 30 20 CHED CN(C)Cc1ccc(-c2ccc(OCCC#N)cc2)s1 904864615 MUOHEJDGNPPOIH-UHFFFAOYSA-N 286.400 3.769 30 20 CHED COc1ncccc1-c1ccc(C2(C#N)CCC2)s1 906543744 ADFFUECVRXPDQL-UHFFFAOYSA-N 270.357 3.764 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1F)C(C)C 916707870 ZMQXFZQARYMTHA-UHFFFAOYSA-N 270.735 3.907 30 20 CHED CC(F)(F)CCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 916849782 RWUVVUKJRAZKFF-LBPRGKRZSA-N 288.297 3.846 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H](C)n1cccn1 917872122 GEZDZNKZCKBFDD-CABCVRRESA-N 279.428 3.557 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1cc(C)ccc1Cl 921149610 WPMLDQFKWGREEF-NSHDSACASA-N 268.740 3.535 30 20 CHED Fc1cccc2c1CCC2=NOCc1ccccc1 921257634 KYXORVFQPMDYGR-UHFFFAOYSA-N 255.292 3.693 30 20 CHED CSc1cccc(F)c1CN[C@@H](C)CC(C)(C)C#N 926402112 SKFUJZNGWZABNL-NSHDSACASA-N 280.412 3.966 30 20 CHED C/C(=C\C(=O)N1CCC[C@H](C#N)C1)c1cccc(Cl)c1 928220765 LDTYLTKGWYLWJT-YQCJOKCJSA-N 288.778 3.505 30 20 CHED CCCCN(CCCC#N)C1CC(C)(C)NC(C)(C)C1 931032718 MJESTTSJQACNCB-UHFFFAOYSA-N 279.472 3.701 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OC)c(SC)c2)CC1 931717861 FBNTTXFJOOPUJE-UHFFFAOYSA-N 292.404 3.601 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc2c1CCOC2 933341183 FJKXMUKWHAJUOD-UHFFFAOYSA-N 287.403 3.578 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 933851919 XCWNQCTZLDRMSO-GFCCVEGCSA-N 299.374 3.840 30 20 CHED N#CCc1cccc(N2CCC(Cc3ccccc3)CC2)n1 1116285925 LQPFBSLHJAIULS-UHFFFAOYSA-N 291.398 3.607 30 20 CHED N#CCCCCCc1nc(-c2cc3ccccc3[nH]2)no1 1119622135 CFJNSAWVRQODEF-UHFFFAOYSA-N 280.331 3.844 30 20 CHED CCn1c(CCCCC#N)nnc1N(C)c1cccc(C)c1 1121692037 JUOJEYPIBUZKFK-UHFFFAOYSA-N 297.406 3.611 30 20 CHED C=CC[C@@H](C)NC(=O)N1Cc2ccccc2[C@H]1CC 1121876666 VOZNLHPGXCHPCN-IUODEOHRSA-N 258.365 3.628 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1ccc(F)cc1F 1142190848 IYYWLVRAIHDWLW-CQSZACIVSA-N 265.303 3.595 30 20 CHED Cc1nsc(NCC[C@@H]2CCCC[C@@H]2C)c1C#N 1162516102 YDTBEQYTSCOSEI-JQWIXIFHSA-N 263.410 3.952 30 20 CHED Cc1cc(NC2(Cc3cccc(F)c3)CCC2)ncc1C#N 1186203786 TVAUTXBJIPPHQJ-UHFFFAOYSA-N 295.361 3.978 30 20 CHED C=C(CC)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 1263726269 BNCKZBDXMFUXQV-UHFFFAOYSA-N 299.414 3.859 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 1263860946 LVMZYXNRQJHBSJ-AWEZNQCLSA-N 295.386 3.505 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1cc(C#N)ccc1C 1264426938 ZHRNXSAQEVYHSA-UHFFFAOYSA-N 292.382 3.837 30 20 CHED Cc1cc2c(NC(=O)[C@H]3CC[C@H](C)CC3)n[nH]c2cc1C#N 1300269923 ASVLKYAVNZZDCX-UMSPYCQHSA-N 296.374 3.508 30 20 CHED CCCn1cc(CN(CCC#N)CC(CC)CC)c(C)n1 1308589727 SCESVMSXEFLZAD-UHFFFAOYSA-N 290.455 3.753 30 20 CHED Clc1ccccc1NN=Cc1cccc2cn[nH]c12 1318734766 OCMCOWCDMYLOFQ-UHFFFAOYSA-N 270.723 3.662 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCC3)COc2ccccc21 1318780077 QHUOVFDWNBHFMT-WJDWOHSUSA-N 276.335 3.834 30 20 CHED c1ccc(-c2ncc(CON=C3CCC3)s2)cc1 1319109600 WNZWYGQOWJPAMW-UHFFFAOYSA-N 258.346 3.867 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)CC#Cc1ccccc1 1319123365 BWCISVXYRATNAB-UHFFFAOYSA-N 271.404 3.759 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C(=O)OC)c1ccccc1Cl 1320649231 OOGJYJTYQQSOAI-IUODEOHRSA-N 295.810 3.889 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2ccccc2OC)CCC1 1323802416 RTIKJJFJOBGHJK-UHFFFAOYSA-N 299.414 3.959 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(Oc2ccccc2)cn1 1326622208 FKVZQJOYCKTABY-GJZGRUSLSA-N 298.386 3.726 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)nc2cc(F)ccc12 1326671528 FEBFSXFMZDWABE-AWEZNQCLSA-N 298.361 3.863 30 20 CHED N#CC1(CC(=O)OCc2ccc(Cl)nc2)CCCCC1 1327181230 DYTTUFZRKHCRHY-UHFFFAOYSA-N 292.766 3.642 30 20 CHED CCC(CC)COC(=O)C1(c2cccc(C#N)c2)CC1 1327424017 SWMHQFDUCSIKOM-UHFFFAOYSA-N 271.360 3.569 30 20 CHED N#CC1(CCCCN2CCC([C@H]3CCOC3)CC2)CCC1 1335759562 PBIFCQKOFYUEIN-KRWDZBQOSA-N 290.451 3.599 30 20 CHED C=C(C)CCC(=O)Nc1ccc(C)c(N2CCCC2)c1 1338834176 LBIHUEPOWCPEGJ-UHFFFAOYSA-N 272.392 3.890 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC2(CCCCC2)C1 1339047999 SLCUMFGUFPMTNC-UHFFFAOYSA-N 296.365 3.562 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2cc(Cl)ccc2F)c1 1347810299 YIPQLNBXVKZTIE-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1cccc(-c2nnc(C3=CCCCC3)o2)c1 1348921030 YLIGBDGMKQUJCZ-UHFFFAOYSA-N 251.289 3.566 30 20 CHED C=C(C)Cn1c(N2CCC(C)(C)CC2)nnc1C(C)(F)F 1355905593 ZWUBNTYJNLQIOK-UHFFFAOYSA-N 298.381 3.592 30 20 CHED C=C(Cl)CNC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 1444353876 GSXUMNAPMGWMEK-VHSXEESVSA-N 283.721 3.614 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN1CCc2c(C#N)cccc21 1460269268 CEKBTJPRUPVHEO-RDTXWAMCSA-N 284.403 3.516 30 20 CHED C=C(Cl)CN1CCN(Cc2ccccc2)C[C@@H]1C(C)C 1460475681 FGSMYPIYVGKGQK-QGZVFWFLSA-N 292.854 3.581 30 20 CHED Cc1ccc2ncc(CN3CCc4c(C#N)cccc43)cc2c1 1473570359 TWCRLWLHGDYZCE-UHFFFAOYSA-N 299.377 3.978 30 20 CHED COc1cc(CNC[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1C#N 1474131862 WZGACDIQQRNQLM-CPUCHLNUSA-N 286.419 3.729 30 20 CHED N#Cc1ccc(CN2CCCc3ccccc3CC2)c(F)c1 1474527492 NWPAPZKRLZPZKR-UHFFFAOYSA-N 294.373 3.688 30 20 CHED C=C(Cl)CNC(=O)NCCC12CC3CC(CC(C3)C1)C2 1477316479 DNRLQTRDMCGNAV-UHFFFAOYSA-N 296.842 3.645 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc2c1CCO2 1517635350 FIYNHILDWPEELK-ZDUSSCGKSA-N 286.375 3.584 30 20 CHED C=C[C@H](C(=O)N[C@H]1CCCc2occc21)c1ccccc1 1527425919 OZLVBTKEJHJPLE-HOCLYGCPSA-N 281.355 3.743 30 20 CHED C=C(Cn1c(C(C)C)nnc1N(C)CCC)c1ccccc1 1539765952 LLGAADYYCRJSBA-UHFFFAOYSA-N 298.434 3.961 30 20 CHED Cc1cc(N2CCC(C(C)(C)C)CC2)ncc1C#N 1559166235 CIGIMGYITLZGBH-UHFFFAOYSA-N 257.381 3.524 30 20 CHED CC(=O)c1ccc(COc2cc(Cl)ccc2C#N)cc1 1559387876 NTGFJGYOPZRVMS-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1Cc1cc(C#N)ccc1OC 1559647539 JYADYDDMMNTUBP-YOEHRIQHSA-N 286.419 3.967 30 20 CHED CC(=O)c1ccc2ccccc2c1NC(=O)C(C)(C)C#N 1585719741 QMFVRMLHBRDFNE-UHFFFAOYSA-N 280.327 3.531 30 20 CHED C=CCC[C@H]1CCCN1Cc1cc(C(=O)O)ccc1Cl 1588781992 MKCCKLFBEZFYFP-AWEZNQCLSA-N 293.794 3.969 30 20 CHED CCCC[C@@H](S[C@H](C)c1ccc(C#N)cc1)C(=O)O 1595651242 DLWKOGDQFOPPHU-BXUZGUMPSA-N 277.389 3.996 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccccc1CC(=O)O 1602855615 VTYMJZCWYJQAJB-PBHICJAKSA-N 287.403 3.538 30 20 CHED Cc1cc(C)nc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 1615332396 NZSRBHPLNUTMAT-UHFFFAOYSA-N 293.414 3.981 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H]1CC[C@H](C(C)C)CC1 1617776973 VUAKBQYPARHUHW-RBSFLKMASA-N 264.413 3.599 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1 1639049603 BRRDPRMPMHHGSJ-UHFFFAOYSA-N 289.338 3.909 30 20 CHED Cc1ccc(N(C)Cc2ccc(C#N)cc2C)c(F)c1 1646184129 MJYYMHCYRZHJEQ-UHFFFAOYSA-N 268.335 3.951 30 20 CHED Cc1cc(CN(C)[C@H]2CCC[C@H](C)C2)ccc1C#N 1652051152 CDVOBVRFZAOKKN-GUYCJALGSA-N 256.393 3.877 30 20 CHED CN(CCOc1cccc(C#N)c1)CCC1CCCCC1 1657142459 ZSCKOVCFOSKELV-UHFFFAOYSA-N 286.419 3.839 30 20 CHED CC[C@@H]1CCC[C@H](CNCc2ccc(OC)c(C#N)c2)C1 1657888320 GSRFKHXJXZGJQW-CABCVRRESA-N 286.419 3.873 30 20 CHED CC[C@H](NC(=O)Nc1cc(C#N)ccc1C)[C@@H]1CC1(C)C 1675086197 RWINKXHDSAHRDF-KBPBESRZSA-N 285.391 3.813 30 20 CHED O=C(O)c1ccc2c(c1)CCCCC2=NOC/C=C\Cl 1776080755 ZNAWATLSRXQHPH-BZXFLSNBSA-N 293.750 3.584 30 20 CHED C=CCC1(C(=O)O)CCN(CC[C@H]2CCC[C@@H](C)C2)CC1 1776160695 VLTKEWFXGUDKAH-HZPDHXFCSA-N 293.451 3.946 30 20 CHED C=CCc1ccccc1CNC[C@@](C)(CC(C)C)C(=O)O 1776189785 XTFIYAAEDOUBSC-GOSISDBHSA-N 289.419 3.642 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(C(=O)O)s1 1777477270 TYYCPLYSTQEFLW-RQOWECAXSA-N 278.354 3.712 30 20 CHED CCc1ccccc1NC(=S)Nc1cccc(C#N)c1 7351688 BDEGYCXBUQZNFS-UHFFFAOYSA-N 281.384 3.930 30 20 CHED CCc1ccc(CC(=O)Nc2sc(C)c(C)c2C#N)cc1 10813703 IKPMARNHDXBLMI-UHFFFAOYSA-N 298.411 3.980 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 42106578 HJICHVAMNPWRGM-UHFFFAOYSA-N 294.354 3.754 30 20 CHED CC(C)c1ccc(CNc2ncccc2C#N)cc1 44381903 MXRNBOOLGGXCSD-UHFFFAOYSA-N 251.333 3.689 30 20 CHED Cc1cc(C(=O)N(C)Cc2cccc(C#N)c2)sc1C 45244019 YNGHKONDRXNLKO-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C 46896111 PAAYIESXHOOSFI-HIFRSBDPSA-N 287.407 3.575 30 20 CHED CCOc1ccc([C@H](C)Nc2ncccc2C#N)cc1OC 47511468 RQYRTUJJGNFHMD-LBPRGKRZSA-N 297.358 3.534 30 20 CHED CSc1ccc(C)c(C(=O)Nc2cccc(C#N)c2)c1 48420818 SQLZZOILVFVAQA-UHFFFAOYSA-N 282.368 3.841 30 20 CHED COc1ccc(C(=O)CSc2ccc(C#N)cc2)cc1 48512188 LZZASCUUKXRIQH-UHFFFAOYSA-N 283.352 3.542 30 20 CHED N#Cc1cc(NCc2ccc(Cl)o2)ccc1F 51635819 LJFFBHQAKNZBAZ-UHFFFAOYSA-N 250.660 3.556 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)c1 56515731 OVVRRRHBKBPQBV-MRXNPFEDSA-N 295.317 3.506 30 20 CHED N#Cc1cccc(NC(=O)CCSCC2CCCC2)c1 62836040 GZMWKLLLSCLZBL-UHFFFAOYSA-N 288.416 3.810 30 20 CHED COc1ccccc1/C=C1/COc2c(C)cccc2C1=O 63279336 KSFBSRWVUQBQJL-UVTDQMKNSA-N 280.323 3.662 30 20 CHED C=CCN(C(=O)c1sc(CC)nc1C)c1ccccc1 64906626 ZIRJFYPWPUYNDM-UHFFFAOYSA-N 286.400 3.847 30 20 CHED Cc1ccc(NCc2ccc(N(C)CCC#N)cc2)cc1 69830835 BBYYXUMHUOFXOM-UHFFFAOYSA-N 279.387 3.957 30 20 CHED CC[C@@H]1CCC[C@H](Nc2ccc(OCC#N)cc2)C1 71106533 MMXGFTXQNAKWDF-HIFRSBDPSA-N 258.365 3.970 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccn(C(C)C)n1 72692955 OKWSJFBMYCMSAR-UHFFFAOYSA-N 276.428 3.616 30 20 CHED C[C@H](C#N)CNc1nc(-c2ccccc2)nc2ccccc12 80757844 MEKHVZOPXUXFCH-CYBMUJFWSA-N 288.354 3.868 30 20 CHED N#Cc1ccc(F)c(CNC(=O)CCC2CCCCC2)c1 80775560 LZAGMKZQRJHGMZ-UHFFFAOYSA-N 288.366 3.674 30 20 CHED Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 80836993 QQIVLWHGWHFSPS-DLBZAZTESA-N 290.366 3.917 30 20 CHED N#Cc1ccc(CNc2c(F)cccc2Cl)cc1 83442331 QVGBDCUXLGTJPD-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 84591218 NMJSUXIJQRUBMD-DYVFJYSZSA-N 280.371 3.752 30 20 CHED CCCN(CC#N)Cc1cnc(C2CCCC2)s1 92398148 HITXEPQYTLROMZ-UHFFFAOYSA-N 263.410 3.536 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(CCC#N)Cc2ccccn2)o1 93100556 UAKQSGIEDLEWCP-WMLDXEAASA-N 295.386 3.714 30 20 CHED C[C@@H]1CCc2nc(CN(CC#N)C3CCCC3)sc2C1 93563275 INKHEYJGYLKZDR-GFCCVEGCSA-N 289.448 3.536 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2cc(C#N)cs2)C1 93868982 FZJLELLDMJCZJK-STQMWFEESA-N 280.462 3.726 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(F)c(C)c2)s1 103384251 FILUGWRDFFRHOH-UHFFFAOYSA-N 288.347 3.882 30 20 CHED N#CCCCOC(=O)c1ccc(OCc2ccccc2)cc1 104768410 PMBSUIWPOQFOKX-UHFFFAOYSA-N 295.338 3.726 30 20 CHED C=CC1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1 110360285 KLQOYSLSEQZXNJ-LBPRGKRZSA-N 293.794 3.532 30 20 CHED Cc1cc(C)c(CNCc2cccc(OCC#N)c2)cc1C 113347380 JLPRGWZSKVVFHU-UHFFFAOYSA-N 294.398 3.804 30 20 CHED N#CCSCC(=O)Nc1cccc(Nc2ccccc2)c1 114343978 LHKQEVIXYDJGOV-UHFFFAOYSA-N 297.383 3.625 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1OC1CCC1 118203361 UTWZUQZRVAPSRH-UHFFFAOYSA-N 273.376 3.656 30 20 CHED C#CCCCCC(=O)Nc1ccccc1OC(C)C 119599382 MCJSKDMXYLMZNV-UHFFFAOYSA-N 259.349 3.606 30 20 CHED CC#CCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 121460511 RXISSWVBYLDZAY-KRWDZBQOSA-N 295.407 3.660 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1C(C)=O 122507600 QLHQAUFZMGJLAQ-UHFFFAOYSA-N 257.333 3.596 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F 125940042 LBEHLWTXRLVMNL-NSHDSACASA-N 298.789 3.704 30 20 CHED CC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(C)cc1 126661596 BHXAKZPHGWOMAW-OALUTQOASA-N 294.398 3.641 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCC(=O)C[C@@H]1C 127487670 JPKNPGOYMHIFIQ-GXTWGEPZSA-N 254.370 3.505 30 20 CHED CCN(Cc1ccccc1Oc1cccnc1)C[C@@H](C)C#N 130009078 HRPHJGGTQXKJJX-HNNXBMFYSA-N 295.386 3.855 30 20 CHED C=CCC[C@H](C)N[C@H]1CCCN(Cc2ccccc2)C1 130550826 MUVHOMYAXXTBRH-WMZOPIPTSA-N 272.436 3.595 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3ccccc3)ccc21 130592512 ARXIRBFURKJVAR-CSKARUKUSA-N 263.340 3.575 30 20 CHED C=CCC[C@H](C)Nc1ccc(N2CCCC2=O)cc1 130595124 INXCYONUANUCNI-ZDUSSCGKSA-N 258.365 3.580 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cc(C)c(O)c(C)c2)c1C 131157132 VVNVGKLGHRMPIR-BQYQJAHWSA-N 298.386 3.738 30 20 CHED CCCCCC(C)(C)CNC(=O)[C@](C)(C#N)CC 136278037 MBUXTMNAIHNVRK-HNNXBMFYSA-N 252.402 3.649 30 20 CHED C#CCOc1ccc(C(=O)N(C)c2ccc(C)cc2C)cc1 151800911 ASPNXPSTOMSASJ-UHFFFAOYSA-N 293.366 3.592 30 20 CHED CCn1nccc1/C=C1/C[C@H](C)c2ccccc2C1=O 152675646 SNRQDGNPBILALN-KLDSGFLGSA-N 266.344 3.677 30 20 CHED CC(C)(CNC(=O)N1CCC(C#N)CC1)C1CCCCC1 152776003 DRCMGIFKQHAVLU-UHFFFAOYSA-N 291.439 3.538 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccccc2C)CC1 153016289 UUESXVFWRZDXEE-INIZCTEOSA-N 272.436 3.686 30 20 CHED COC(=O)c1ccc(NCCCC(C)(C)C#N)cc1C 153871332 UCUUSIJHHSMOTL-UHFFFAOYSA-N 274.364 3.524 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cc(C(C)C)no1 154307061 UWPYTRAWLOXRIL-UHFFFAOYSA-N 293.411 3.686 30 20 CHED C=CCCNc1ccc(C(=O)NC2CCCC2)cc1C 157168436 VNCVRYKDLJBBHT-UHFFFAOYSA-N 272.392 3.655 30 20 CHED CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C#N)cc1 157169948 HWWOBEJKFSTKPL-QGZVFWFLSA-N 293.370 3.567 30 20 CHED N#Cc1ccc(CNc2cccc(-c3ccn[nH]3)c2)s1 158206220 IMHRPIOTLXTRGB-UHFFFAOYSA-N 280.356 3.622 30 20 CHED CC(C)(C#N)CN[C@@H]1CCCC[C@@H]1c1ccccc1 168931144 NENMSPDKJXZCTA-HZPDHXFCSA-N 256.393 3.852 30 20 CHED O=C1/C(=C/c2cccnc2Cl)CCOc2ccccc21 171542133 NEDCSZPYRJXSOS-ZHACJKMWSA-N 285.730 3.784 30 20 CHED C=CCCCOC(=O)[C@H](SC)c1ccccc1 172420016 BMQUQLDYHVOANZ-CYBMUJFWSA-N 250.363 3.600 30 20 CHED CCC(CC)CN(CCC#N)C[C@@H](O)c1ccc(F)cc1 173554438 XEOLHBCVNNGPAQ-QGZVFWFLSA-N 292.398 3.511 30 20 CHED C#CCCCNC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 174301273 CJXOIWCHKCFKSC-AEFFLSMTSA-N 298.430 3.625 30 20 CHED N#Cc1ccsc1NC(=O)CCCC1CCCC1 175050370 YPZNPGOQVDWHRQ-UHFFFAOYSA-N 262.378 3.919 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 176865558 CZVMYXZKAOZKDG-VYDXJSESSA-N 286.419 3.786 30 20 CHED CC(C)(CNCc1ccc(C#N)s1)c1ccccc1F 176959462 BUDFSIPNKOJXAJ-UHFFFAOYSA-N 288.391 3.826 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OC)c2ccccc12 178054971 WEWAXLBAHOPHPI-AWEZNQCLSA-N 267.372 3.912 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCO[C@H](C)CC(C)C 178389481 PTGRMZJORWBLPL-CYBMUJFWSA-N 288.391 3.647 30 20 CHED CC[C@H]1CCCCN1C(=O)Nc1cccc(C#N)c1C 178569663 JXNOCSYMKBXPTG-AWEZNQCLSA-N 271.364 3.663 30 20 CHED C=CCCCC(=O)N1CCC(C)(c2ccccc2)CC1 178935321 LKXARKRTUSKKSM-UHFFFAOYSA-N 271.404 3.923 30 20 CHED Cc1occc1S[C@H](C)C(=O)Nc1cccc(C#N)c1 181295285 NDOOTMWEFLIWRL-LLVKDONJSA-N 286.356 3.579 30 20 CHED C=CCC[C@H](NC(=O)CC[C@@H](C)OC)c1ccccc1 181763489 LANFWZTYEDTPLL-ZBFHGGJFSA-N 275.392 3.625 30 20 CHED CC[C@H](CC(=O)Nc1ccccc1O[C@H](C)C#N)C(C)C 182034235 OCXNTGBOHSLBHC-ZIAGYGMSSA-N 288.391 3.988 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(-c2ccccn2)noc1C 182640685 PRAQYCYGVRBSPI-LBPRGKRZSA-N 299.374 3.520 30 20 CHED CC(C)[C@H](NCCCC#N)c1ccccc1Cl 183703569 PEDUXKABWYBNEK-AWEZNQCLSA-N 250.773 3.930 30 20 CHED Cc1ccc(CCCC(=O)OCC2(C#N)CCC2)s1 183913591 UOSCYONLHXPKEY-UHFFFAOYSA-N 277.389 3.616 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1cc2ccccc2s1 184383391 SJPFXKWXJJMVRP-OCCSQVGLSA-N 275.417 3.879 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)ccc1C(C)=O 184841729 VLLCWWBQFOUAFT-UHFFFAOYSA-N 275.323 3.735 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc(C)cc2)no1 188032581 ZATXOTVQWASNRG-MRXNPFEDSA-N 272.348 3.525 30 20 CHED C[C@H]1CCC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 188826940 GARIEIODBGUFGQ-YOEHRIQHSA-N 296.414 3.940 30 20 CHED C=CC[C@H](C(=O)N1CCSC(C)(C)C1)c1ccccc1 190160369 BBYWVKUUAHKWAQ-HNNXBMFYSA-N 289.444 3.700 30 20 CHED COc1cccc(/C=N/Cc2ccc3ncccc3c2)c1O 195162953 XOHSFQWMENWWAT-XDHOZWIPSA-N 292.338 3.568 30 20 CHED C[Si](C)(C)C#Cc1cc(C(F)(F)F)ccc1N 195833924 ZCEORLXEZOJAGG-UHFFFAOYSA-N 257.331 3.517 30 20 CHED CC(C)(C)c1ccccc1NC(=O)C#Cc1ccccc1 198954447 LQWLFLSXPVJQOU-UHFFFAOYSA-N 277.367 3.974 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1nc2c(cc1C#N)CCC2 226189517 XEILRCIOQFQDLQ-TYNCELHUSA-N 269.392 3.679 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 227360487 ZFKLORJOGCMQQY-NEPJUHHUSA-N 264.369 3.783 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@](C)(O)CC1 230364415 DTSANAGPZOIPTC-KRWDZBQOSA-N 283.456 3.891 30 20 CHED C[C@H](N[C@@H]1CCCC[C@H]1n1cccn1)c1ccc(C#N)cc1 245835903 COXGSNYYBRAMGG-BMGDILEWSA-N 294.402 3.589 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1cccnc1Cl)C2=O 255079407 FFTPFVAMHFZYNY-XFXZXTDPSA-N 299.757 3.956 30 20 CHED Cn1cc(/C=C\C(=O)c2ccco2)c(-c2cccs2)n1 255316388 JWFORGZGCLMQJQ-SREVYHEPSA-N 284.340 3.638 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(C)c2C)cc1O 255690721 KSWZMFUVGNQYNZ-CLFYSBASSA-N 282.339 3.914 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1F 255842277 GOZJHGDCFJTYFW-TWGQIWQCSA-N 265.287 3.902 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3cc(F)cc(F)c3)cnc12 255845066 KLPSIPYEIINVTK-PLNGDYQASA-N 298.292 3.817 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nc2ccsc2s1 265338911 AUQMJYBNAUGKPY-UHFFFAOYSA-N 281.406 3.788 30 20 CHED CC/C(=C\C(=O)N(C)[C@@H](C)CC#N)c1ccc(C)cc1 265932750 GMGRMZGEXRGGCM-YEQVNJDRSA-N 270.376 3.549 30 20 CHED CC(C(=O)N(CCC#N)CC(C)(C)C)=C1CCCC1 267885192 VGPNUVOHGVJOCY-UHFFFAOYSA-N 262.397 3.665 30 20 CHED C=C1CCN(CCCC(=O)Nc2c(C)cccc2C)CC1 268898464 LBWKJPNYUVEMPY-UHFFFAOYSA-N 286.419 3.674 30 20 CHED CC(C)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl 269164648 VPVCOZGIRMLZCP-CQSZACIVSA-N 291.782 3.864 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(Cl)ccc1F)OCC 270026686 CMBOLNKFHMDTPQ-CYBMUJFWSA-N 285.746 3.789 30 20 CHED COCC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccco1 272531005 JCVSLPJLFXQWEH-BBRMVZONSA-N 284.359 3.580 30 20 CHED C=CCCN(C)C(=O)c1cc(CCC)c(C)s1 276477971 YLXALQNRHDERGA-UHFFFAOYSA-N 251.395 3.657 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](Cc1nc(C)no1)c1ccccc1 277089011 KHYZSCHUPXEJLT-VBQJREDUSA-N 299.418 3.852 30 20 CHED CC(C)(C#N)CCCOc1cccc2c1CCCC(=O)N2 285128802 KMTGBGMFMCBVGK-UHFFFAOYSA-N 286.375 3.670 30 20 CHED C=C(C)CCc1noc(CCO[C@H](C)CC(C)C)n1 285270820 YSNZLRBPFKOCKP-CYBMUJFWSA-N 266.385 3.572 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)SCC1CC1 291492668 IHZUOMUQASRWJM-GFCCVEGCSA-N 295.473 3.794 30 20 CHED Cc1nc(NC[C@H](c2cccnc2)C(C)C)ccc1C#N 291805408 FAYOEBHBYVZZQN-INIZCTEOSA-N 280.375 3.508 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)[C@H]1CC[C@@H](C#N)C1 293927557 YMNSJWDUOSVWPZ-PWSUYJOCSA-N 266.747 3.603 30 20 CHED C[C@H](Nc1ccnc(C(C)(C)C)n1)c1ccc(C#N)cc1 301521708 LOJLELSFIQDSIH-LBPRGKRZSA-N 280.375 3.819 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1NC1CC=CC1 301667658 XLRUFWAEWCUBDG-UHFFFAOYSA-N 269.735 3.890 30 20 CHED CC(C)c1cccc2c1CCN(c1ccc(C#N)nc1)C2 302772348 NJRCCLZIMXDWNB-UHFFFAOYSA-N 277.371 3.639 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(C)cc(C)c1)CO2 303067977 NUODUDWMBRCZEP-DHDCSXOGSA-N 294.350 3.971 30 20 CHED CC(C)SCCNc1ccc(Cl)cc1C#N 309227560 SBBQJAFWYYFPFE-UHFFFAOYSA-N 254.786 3.765 30 20 CHED CCc1ccc2c(c1)[C@@H](CC/N=C(/O)C1CC1)C(O)=N2 328767376 PVFPHBAMPRESTQ-GFCCVEGCSA-N 272.348 3.691 30 20 CHED CC1(C)CCC[C@H](C(O)=Nc2nc3cccnc3[nH]2)C1 328881139 WJMMKHREGQVCCS-JTQLQIEISA-N 272.352 3.762 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2ccc3c(c2)C(=O)CCC3)CCC1=O 328952807 NXUJKONMLDWOPP-AAEUAGOBSA-N 299.370 3.799 30 20 CHED C[C@]1(C(O)=Nc2ccc3ccccc3n2)CCC(O)=NC1 329275134 KRLMGDGOWREDTQ-INIZCTEOSA-N 283.331 3.579 30 20 CHED CC1(C)CC[C@H](C(O)=Nc2cnc3c(c2)CCCC3)O1 330115099 FLCXKVNQEMJWPF-CQSZACIVSA-N 274.364 3.506 30 20 CHED COc1cccc([C@H](C)/N=C(/O)N[C@@H]2CCC[C@H](C)C2)c1 330472363 YIZKZSDKBYWGDY-KCQAQPDRSA-N 290.407 3.839 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C)(C)[C@@H]1C(C)C 332486782 WTKZNLFTFOZSFH-HNNXBMFYSA-N 285.391 3.765 30 20 CHED COc1cc(C)c(NC(=O)c2ccc(C#N)cc2)c(C)c1C 334220678 RYLBZHRVMJRBIA-UHFFFAOYSA-N 294.354 3.744 30 20 CHED CC(C)[C@@H]1N(C(=O)c2cccc(CC#N)c2)CC12CCCC2 334751745 PJYDHEHYUQTYQS-KRWDZBQOSA-N 296.414 3.793 30 20 CHED Cc1ccc(NC(=O)N2CCC(CCC#N)CC2)cc1C 335475159 JEGRMEWDUSDVCL-UHFFFAOYSA-N 285.391 3.851 30 20 CHED Cc1csc(-c2cccc(NC(=O)[C@]3(C#N)C[C@@H]3C)c2)n1 335644422 NCIWDQXQTGDGMO-QFYYESIMSA-N 297.383 3.607 30 20 CHED C[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 340884630 MUPWRUDDWBWLEQ-PBHICJAKSA-N 298.386 3.910 30 20 CHED N#Cc1ccn(Cc2cc(F)c(C(F)(F)F)cc2F)c1 341336295 GZXIMPUTHBXIMQ-UHFFFAOYSA-N 286.203 3.705 30 20 CHED C=CCCOCCCCC(=O)N(C)Cc1cccc(C)c1 342610830 AEGMSYCCDPRKIK-UHFFFAOYSA-N 289.419 3.716 30 20 CHED CCN(CCC#N)C(=O)C(C)(C)CCCc1ccccc1 344185332 JVUBFSAYMJYDOP-UHFFFAOYSA-N 286.419 3.798 30 20 CHED CC(C)(CCC#N)CNCC(C)(C)Oc1ccccc1 344465344 OBYVCSKDVXZVLY-UHFFFAOYSA-N 274.408 3.764 30 20 CHED C=CCN(Cc1cncc(F)c1)Cc1ccccc1F 346830670 HKONUUVPZKJMIG-UHFFFAOYSA-N 274.314 3.548 30 20 CHED Cc1nc(CCSc2ccc(C#N)cc2)cs1 347762092 ZKXASPTZONBLRM-UHFFFAOYSA-N 260.387 3.658 30 20 CHED CC(=O)Nc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1 348057578 DBFWONWLQYPSFA-NSHDSACASA-N 297.333 3.829 30 20 CHED C=CCN(Cc1ccc(OC)c(OC)c1Cl)C1CC1 350229278 WQHAYHLVQQHNCU-UHFFFAOYSA-N 281.783 3.508 30 20 CHED N#Cc1ccc(C(=O)N[C@@H](CC2CCC2)c2ccccc2)[nH]1 351529405 KYRBCTHULZBMRY-KRWDZBQOSA-N 293.370 3.548 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@H]1C 354083078 MYLCNCXYNTWCLE-OCCSQVGLSA-N 285.391 3.755 30 20 CHED C=CCN(C)C(=O)C1(c2ccc(OC)cc2)CC2(CCC2)C1 354846745 LQXKZHLNEWRHRI-UHFFFAOYSA-N 299.414 3.542 30 20 CHED CCN(CCC#N)CCCOc1cccc2ccccc12 357949295 UUJYEBRLMQJPJN-UHFFFAOYSA-N 282.387 3.844 30 20 CHED C=C(CC)CN(Cc1cccs1)C[C@@H]1CCCO1 358622079 DTBLXJGAPMAVBI-AWEZNQCLSA-N 265.422 3.695 30 20 CHED CCC[C@@H](NC(=O)CCCC#N)c1ccc(F)cc1F 360332170 IDBDFDIBZSWKJL-CQSZACIVSA-N 280.318 3.616 30 20 CHED COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2CC#N)c1 364711072 PFEYRHBDQNRVKK-RTBURBONSA-N 292.382 3.749 30 20 CHED C=CC[C@H](C(=O)N1CC2(CCCC2)C1)c1ccccc1 366680411 IDYWVPRWSHNPQM-INIZCTEOSA-N 269.388 3.749 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCCCC1(F)F 381527794 ONIRYRNHFZGGIZ-JTQLQIEISA-N 268.282 3.935 30 20 CHED COc1ccc(COc2cc(Cl)cc(C#N)c2)cc1F 383785480 LTCDMHZNDMJEQI-UHFFFAOYSA-N 291.709 3.938 30 20 CHED Cc1nc(Nc2ccc(F)cc2)c(Cl)cc1C#N 386544438 RVVBBOJBGWFNDB-UHFFFAOYSA-N 261.687 3.798 30 20 CHED C=CC[C@@H](CC)NCc1cccc(Br)c1 389930451 ZRANVWIBYIRJID-CYBMUJFWSA-N 268.198 3.893 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc4ccccc4c3)no2)[nH]1 390004744 RCJNIUBHAMSQEU-UHFFFAOYSA-N 286.294 3.757 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3ccccc32)cc1F 404109855 JNQBZTXIWAFUNT-GOSISDBHSA-N 280.346 3.865 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2ccccc2c1 410139236 XJAWMJWQDCGDKL-INIZCTEOSA-N 253.345 3.924 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(F)(F)C1 412843044 RQTHUMYPLUMOOE-HUUCEWRRSA-N 293.357 3.725 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(C)c2ccccc12 413642149 OZDHMLCSBQEREU-UHFFFAOYSA-N 282.387 3.866 30 20 CHED CCCn1c(-c2conc2CC)nc2cc(C#N)ccc21 414125904 NKWFXLOIOHNQML-UHFFFAOYSA-N 280.331 3.535 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(F)c(F)c1C 417542300 SNIHQMIHFYYVNF-UHFFFAOYSA-N 268.307 3.703 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1ccc(C2CC2)cc1 419353096 KTXYIIJEGWFMIM-GUYCJALGSA-N 259.393 3.542 30 20 CHED Cc1ccc(O[C@H](C)CNCc2ccc(C#N)c(F)c2)cc1 421369475 VTUFZPZBORJMSF-CQSZACIVSA-N 298.361 3.563 30 20 CHED N#CCC[C@H](N[C@@H]1C[C@@H](N)c2ccccc21)c1ccccc1 423001092 WLMSTQGLYNKEPB-CEXWTWQISA-N 291.398 3.766 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc(Sc3ccccn3)o2)C1 424204251 VBVDFTBGMIMQPH-OLZOCXBDSA-N 299.399 3.608 30 20 CHED C[C@@H]1c2ccccc2CN1c1ncc2c(c1C#N)CCC2 425223157 BKMZWTKRLCESJG-GFCCVEGCSA-N 275.355 3.523 30 20 CHED CC(C)[C@@H](CNCC1(CC#N)CC1)c1ccccc1 430023902 PMJGKIZKGOBXOU-MRXNPFEDSA-N 256.393 3.710 30 20 CHED N#CCC1(CNC(=O)C2CCC(c3ccccc3)CC2)CC1 431178240 IXKMRYNOFUWWSZ-UHFFFAOYSA-N 296.414 3.770 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCC[C@H]1C 431722864 AZSVYNYUYQETCH-DOMZBBRYSA-N 285.391 3.815 30 20 CHED Cc1ccc(Cl)cc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 434018360 ZJCNCANRPNOQDN-AWEZNQCLSA-N 290.794 3.803 30 20 CHED COc1cc(OCc2ccc(C#N)cc2Cl)ccc1C#N 435796298 IALPHEQGIDQPLM-UHFFFAOYSA-N 298.729 3.671 30 20 CHED C=CCN(CC=C)C(=O)CS[C@@H](C)c1cccc(C)c1 437438777 LUTOJZRLIWFPJD-HNNXBMFYSA-N 289.444 3.990 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C(F)(F)F)n[nH]1 442805805 ZITGGUYIOOAPHA-UHFFFAOYSA-N 295.308 3.617 30 20 CHED N#C[C@@H]1CC[C@H](NCCCO[C@@H]2CCCc3ccccc32)C1 442873259 KBENBUQMOGLCEM-HHXXYDBFSA-N 298.430 3.753 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC(C)(C)C1 443167632 LLHVZFLLWWZFGF-INIZCTEOSA-N 299.418 3.668 30 20 CHED C=CC[C@@H]1N(Cc2cc(OC)ccn2)CCCC1(C)C 444785389 XYEZTCZRNVMWHK-INIZCTEOSA-N 274.408 3.657 30 20 CHED C=CC[C@H]1N(C(=O)NC2CC(C)C2)CCCC1(C)C 445114017 OOPKKBOMCYLSGD-JXQTWKCFSA-N 264.413 3.561 30 20 CHED Cc1cc(C)cc(CSc2ncc([N+](=O)[O-])cc2C#N)c1 447194012 RBCQHFVDAOWEQV-UHFFFAOYSA-N 299.355 3.771 30 20 CHED CCc1ccccc1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N 447904978 LKDJVCOJNZHCNP-OALUTQOASA-N 298.430 3.676 30 20 CHED Clc1cccc(C#CCSc2ccccn2)c1 448101907 GKHKCIVEKPUBRB-UHFFFAOYSA-N 259.761 3.879 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)c2cc(C#N)[nH]c2C)s1 449866614 DRKVLTGCAJRZOU-CQSZACIVSA-N 299.399 3.542 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)c2nc(C)cs2)CCCC1 450586569 SBBQBGUGVVARRF-GFCCVEGCSA-N 292.448 3.808 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H](F)C3)c2c1 450603256 GSPRQNUUCJEKJD-LLVKDONJSA-N 289.741 3.617 30 20 CHED Cc1cc[nH]c1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452689166 VUYJSLNJBDZPKI-UHFFFAOYSA-N 297.358 3.624 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1-n1nccc1C 455145753 SIENBDRBPNBWEY-UHFFFAOYSA-N 298.390 3.514 30 20 CHED C=CC1CCN(C(=O)N[C@@H](c2ccccc2)C(F)F)CC1 455595366 JMSHTXJOMGPZNT-AWEZNQCLSA-N 294.345 3.600 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CC#N)c1 455922355 QIRPVCDFVZKPRR-HOCLYGCPSA-N 285.391 3.843 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2C[C@H]2CC(C)C)s1 460020063 LLYPXRUFPGRQRI-ZWNOBZJWSA-N 276.405 3.803 30 20 CHED C[C@H](C(=O)NCC1CCC(C)(C)CC1)c1cccc(C#N)c1 462277195 XZPWHMNQXGUNPW-AWEZNQCLSA-N 298.430 3.994 30 20 CHED N#Cc1cc(F)ccc1NCC1Cc2ccccc2C1 462829549 HQCNNZKYYBDLAE-UHFFFAOYSA-N 266.319 3.524 30 20 CHED Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OC(C)C)c1 463240951 XXUYZHQQFWAMFI-RDJZCZTQSA-N 286.419 3.954 30 20 CHED CCC1(CC)CN(c2ccc(C#N)cc2)CCS1 463573508 JEXUXYLHIOTTRM-UHFFFAOYSA-N 260.406 3.670 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1OCCCC 466409113 KJRAHVHHBWYTOF-UHFFFAOYSA-N 276.380 3.905 30 20 CHED CC(C)(C)[C@H]1C[C@H](NCCc2cccc(C#N)c2)CS1 467541271 DWAIHGHZWZTTIB-JKSUJKDBSA-N 288.460 3.611 30 20 CHED C=CCC(CC=C)C(=O)NCC1(N(C)C)CCCCCC1 467744712 HUFRQWJNJLBFGY-UHFFFAOYSA-N 292.467 3.526 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@@](C)(CC)C1 468261815 NVQGBLCPUCXVMI-QGZVFWFLSA-N 273.376 3.514 30 20 CHED C=CCCCNC(=O)c1ccc2c3c(cccc13)CC2 468400601 DBAYBKYQBTXLBQ-UHFFFAOYSA-N 265.356 3.634 30 20 CHED C=CCOCCCN[C@@H](C)c1cc2ccccc2o1 470788181 DMMQTYPSOAAQKC-ZDUSSCGKSA-N 259.349 3.676 30 20 CHED C=CCOCCCN1CC[C@](C)(c2ccc(C)cc2)C1 470874937 YECUDZKRRAVDGW-SFHVURJKSA-N 273.420 3.551 30 20 CHED C=CCCCCNC(=O)C1(c2ccccc2)CCC1 471692617 LPTJKJOEGBDFOQ-UHFFFAOYSA-N 257.377 3.581 30 20 CHED C=CCCCCNC(=O)N(CC)Cc1ccc(OC)cc1 472841070 MWUNXGDPKCWQBB-UHFFFAOYSA-N 290.407 3.583 30 20 CHED C=CCC[C@@H](O)CN1CCC(=Cc2ccccc2F)CC1 472955315 QFYQULBWSYSHFV-QGZVFWFLSA-N 289.394 3.632 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCCCCC1CCCC1 473894237 DUQTZSFEDUVJAF-KRWDZBQOSA-N 281.440 3.692 30 20 CHED C=CCCC1(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)CC1 476402904 GUXGGUCITMORHW-IXDOHACOSA-N 281.399 3.577 30 20 CHED C=C(C)CS[C@H]1CCCN(c2ccccc2F)C1=O 479144716 SDIYUEBXNTZXTH-AWEZNQCLSA-N 279.380 3.630 30 20 CHED C=CCCCC(=O)Nc1nc2cc(F)c(F)cc2s1 479557295 LFOUESNEZHZAFN-UHFFFAOYSA-N 282.315 3.869 30 20 CHED Cn1cc(CN[C@H]2CCCC[C@@H]2c2ccccc2)cc1C#N 480668389 MPAZOQZVHOGBTI-MOPGFXCFSA-N 293.414 3.713 30 20 CHED CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1OC(F)F 481373962 OKGCXQQNPNSFEO-SMDDNHRTSA-N 294.345 3.780 30 20 CHED C=C[C@@H]1CCCCN1c1ccnc(-c2ccccc2)n1 486502851 AOHULNPDXKGLMW-OAHLLOKOSA-N 265.360 3.689 30 20 CHED C=C(C)CN(C)C(=O)NC[C@H](CCC)CCCC 487937165 VUAMVOVRUKAZCR-CQSZACIVSA-N 254.418 3.810 30 20 CHED Cc1nsc(NC[C@H]2CCCCC(F)(F)C2)c1C#N 488429235 DMUBXXBAJBMKKW-JTQLQIEISA-N 285.363 3.951 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccccc1C)C(C)C 488565820 XQOKKSXWEGIEGA-HNNXBMFYSA-N 260.381 3.567 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1COc2ccc(Cl)cc21 488803149 PFGFCYQFGSOUQP-FZMZJTMJSA-N 293.794 3.677 30 20 CHED C=C[C@@H]1CCCCN1Cc1nnc(-c2ccccc2)s1 489461752 JAAMBMHDSKUENS-CQSZACIVSA-N 285.416 3.746 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1COc2ccc(Cl)cc21 490002461 FQIIMEWPILJXJL-CYBMUJFWSA-N 293.794 3.535 30 20 CHED C[C@H](CSc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 492439462 VSKFXMNTDIBHBM-LLVKDONJSA-N 292.404 3.564 30 20 CHED Fc1ccc(C#CCN2CCCc3ccccc3C2)cc1 498933614 FNEKVJWWXNSTCL-UHFFFAOYSA-N 279.358 3.626 30 20 CHED CCCC[C@@H](CCC)CNC(=O)CC(C)(C)C#N 500467901 UWHFNVDNNVTNCV-CYBMUJFWSA-N 252.402 3.649 30 20 CHED C=C(C)CCSc1nc2c(cc1C#N)CCCC2 505466278 FFLTWDUJCINMFK-UHFFFAOYSA-N 258.390 3.890 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N(CC#N)C2CC2)c1 506767416 PTNPLFUDGZMNHH-AWEZNQCLSA-N 284.403 3.503 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 510584132 ZIWKDKJIKFXCAK-LSDHHAIUSA-N 266.429 3.809 30 20 CHED C=CCOc1ccc(CNCc2ccc(OCC)cc2)cc1 512567650 BWLJKJVRNVAGOI-UHFFFAOYSA-N 297.398 3.940 30 20 CHED C=C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c2cnccc12 515307753 PNFXWOMVIRUDQK-LBPRGKRZSA-N 283.331 3.688 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(C)C1CCC(C(C)C)CC1 517975947 FHXYDDGAESALMD-UHFFFAOYSA-N 299.418 3.549 30 20 CHED C=CCCN(CCc1ccc(C)cc1)C[C@H]1CCCO1 524766645 HHUXDZJGUPNPFO-GOSISDBHSA-N 273.420 3.595 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 527799402 WAESGQVUCNSMBH-UHFFFAOYSA-N 297.358 3.919 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)[C@@H]1CC12CC2 527878918 FWYYHESUWLHNKO-CJNGLKHVSA-N 270.376 3.970 30 20 CHED C[C@H]1CC(F)(F)CCN1c1nc(C(C)(C)C)ccc1C#N 528208835 QGOWKPPPXWVRQB-NSHDSACASA-N 293.361 3.875 30 20 CHED C=CC[C@@H](C(=O)N1CCC(F)(F)C[C@H]1C)c1ccccc1 530008546 IOOCVCAIISWAIY-UKRRQHHQSA-N 293.357 3.993 30 20 CHED Cc1cccc([C@H](C)CNCc2ccc(C#N)cc2F)c1 533309751 NQOHNJHXNVPZBZ-CQSZACIVSA-N 282.362 3.899 30 20 CHED C[C@H](NCc1cccc(C#N)c1F)c1cccc(F)c1F 538232249 WGMMGYHDAGVJAN-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=C(C)COCCN[C@H](CCC)Cc1ccccc1 540164441 VFJHLCVKDNEZMJ-QGZVFWFLSA-N 261.409 3.580 30 20 CHED N#CCC1CCN(Cc2cccc(-c3ccccn3)c2)CC1 540996210 ZYIYPRNRQUFPOO-UHFFFAOYSA-N 291.398 3.874 30 20 CHED C=CCC[C@H](C)NCCc1cc(Cl)c2c(c1)OCCO2 544566301 VBPYZYUZGRVHPD-LBPRGKRZSA-N 295.810 3.598 30 20 CHED Cc1cc(-c2noc(-c3cccc(CC#N)c3)n2)ccc1F 544905624 FIJZUUUBRWQACK-UHFFFAOYSA-N 293.301 3.917 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)C1 546013903 BKJQJKKXNYIORS-KRIMKBQASA-N 276.424 3.647 30 20 CHED C=CC[C@H](CC)NC(=O)NCCC1CC(OC(C)(C)C)C1 546175278 RAWOZFZMCLGQAH-SLTAFYQDSA-N 296.455 3.624 30 20 CHED C=CCN(CC=C)C[C@@H](C)Cc1ccc(OC)c(F)c1 546308262 NAHQSGDESNGWKX-AWEZNQCLSA-N 277.383 3.687 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(CCc3ccc(O)cc3)CC2)C1 549367136 ZXQRCVKFDSBQHR-MSOLQXFVSA-N 298.430 3.729 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(C)cc2F)no1 551396902 AKILOEIEPZMBEW-UHFFFAOYSA-N 268.238 3.852 30 20 CHED Cc1cc(N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc(C#N)n1 553415790 YAHHOKNGZDXNRA-LIRRHRJNSA-N 291.398 3.892 30 20 CHED C=CCOCCCN1CC(C)(C)[C@H]1c1cccs1 554310988 PAFQREZYNWJANN-CQSZACIVSA-N 265.422 3.724 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCC12CCCC2 556178911 PCDNTMHWDDSMMB-JYJNAYRXSA-N 263.425 3.670 30 20 CHED C=CCN(Cc1cnc(-c2ccccc2)s1)C1CC1 557220058 WQZRDTAKPGIWEB-UHFFFAOYSA-N 270.401 3.961 30 20 CHED CC[C@@H](N=c1cc(C)[nH]c(C#N)c1)c1ccc(F)cc1F 561212915 RMSANOMGHOCKGR-MRXNPFEDSA-N 287.313 3.525 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(=Cc3cccc(F)c3)CC2)C1 563350598 PGJFYEJEFYINHR-SJLPKXTDSA-N 284.378 3.997 30 20 CHED N#CCC[C@@H](C#N)CNc1ccc(C2CCC2)cc1 564867198 ATZCULWNORJUAL-ZDUSSCGKSA-N 253.349 3.810 30 20 CHED Cc1ccccc1[C@H](CC(C)C)Nc1cc(C#N)ncn1 565576864 JWQABMIIIDFKSB-INIZCTEOSA-N 280.375 3.856 30 20 CHED N#CCc1ccc(NC(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc1 565821057 VQWZFKLEOYZRLJ-RDJZCZTQSA-N 297.402 3.700 30 20 CHED C=C(C)CCc1noc(Cc2nsc3ccccc23)n1 566097501 UUNOSLJYQYYUFS-UHFFFAOYSA-N 285.372 3.779 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1ccccc1Cl)CC2 570439663 VVUZNAXVGSAPOE-QGZVFWFLSA-N 282.774 3.989 30 20 CHED CC#CCCCc1nc(Cc2cccc(Cl)c2F)no1 572076280 BKDFOXPTNPDSRZ-UHFFFAOYSA-N 292.741 3.799 30 20 CHED C=CCCC[C@H](C)NCc1ccc(OC)c(OC)c1C 573132424 WZAGETLVFVZVMT-ZDUSSCGKSA-N 277.408 3.847 30 20 CHED CCCN(Cc1ccc(C#N)cc1OC(F)F)C(C)C 576715669 NNFGPWOTDHRWMC-UHFFFAOYSA-N 282.334 3.780 30 20 CHED CC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CCCCC1 577259832 NRSLJRILCQAIJS-AWEZNQCLSA-N 290.794 3.991 30 20 CHED Cc1cc(C)c(C#N)c(NCC(C)(C)c2ncccc2C)n1 577806643 YWMJKRVJIFHTPR-UHFFFAOYSA-N 294.402 3.663 30 20 CHED C=CCN(Cc1ccccc1C(=O)O)CC1CCCCC1 578995324 IECQCGFAYURCJT-UHFFFAOYSA-N 287.403 3.953 30 20 CHED N#Cc1ncccc1N[C@@H]1CC[C@H](c2cccc(F)c2)C1 579557611 BQYQCZMAPMEHOQ-DZGCQCFKSA-N 281.334 3.841 30 20 CHED CC(C)(Cc1ccccc1)C(=O)N1CCC(CCC#N)CC1 582005423 WFUOPRLAHKIIIC-UHFFFAOYSA-N 298.430 3.798 30 20 CHED COCC1(CN[C@@H](C)c2ccc(C#N)cc2)CCCCC1 582934153 CWHBOAMNGSSMJL-HNNXBMFYSA-N 286.419 3.806 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CCOc2cc(F)ccc21 588419255 BGOOVEDECBRPRJ-WQLSENKSSA-N 284.286 3.580 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CC=C(C)CC1 590360300 BCWBWMNEJBHUQZ-CQSZACIVSA-N 256.349 3.868 30 20 CHED Cc1ccccc1C1(NCc2ccc(C#N)c(F)c2)CC1 592139841 KIVHBHRKIWNGKL-UHFFFAOYSA-N 280.346 3.785 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 593420933 UFGDTLTYGZRFNR-OAHLLOKOSA-N 292.382 3.881 30 20 CHED CC(C)[C@@H](C)N(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CC1 593960568 GSDHYVCNKJHSNT-LSDHHAIUSA-N 298.430 3.772 30 20 CHED CC[C@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1CC1(C)C 594048887 LVSLMZCZKNFQLY-JQFCIGGWSA-N 298.430 3.678 30 20 CHED Cc1ccccc1-c1nnc(SCC2(CC#N)CC2)n1C 594880391 DLFRPSCFOOIGID-UHFFFAOYSA-N 298.415 3.577 30 20 CHED N#Cc1ccc(CCN2CCC[C@H](CC(F)(F)F)C2)cc1 595548876 AYHWTDFXZFTMQW-OAHLLOKOSA-N 296.336 3.765 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](CC#N)C1 595621518 VXBPTPSJLIHBTM-KGLIPLIRSA-N 287.363 3.590 30 20 CHED Cc1ccccc1NC(=O)CC1(C#N)CCCCC1 596620735 RXXFQJKPCRXJGL-UHFFFAOYSA-N 256.349 3.798 30 20 CHED N#CC1(CC(=O)NCc2ccccc2Cl)CCCCC1 596627323 YFUZSZXIDMFKRE-UHFFFAOYSA-N 290.794 3.820 30 20 CHED COc1ccc(-c2ccccc2C[C@H](O)C(C)C)c(C#N)c1 596639684 RLPCAVLHUHIOCJ-IBGZPJMESA-N 295.382 3.793 30 20 CHED CC(C)CCN(CCC#N)C(=O)CC1(C#N)CCCCC1 597148867 YXSVJJIWXHOTQK-UHFFFAOYSA-N 289.423 3.639 30 20 CHED CC1(C)C[C@]1(C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597899475 ACEKIUZEUPETRR-DNVCBOLYSA-N 296.414 3.507 30 20 CHED C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccc(Cl)cc1 597903511 YQSQWCQYGKWIPD-OLZOCXBDSA-N 290.794 3.596 30 20 CHED Cc1cccc2cc(C(=O)N3CCC[C@H](CC#N)C3)oc12 597910878 BYQCKJPPUMWZST-CYBMUJFWSA-N 282.343 3.507 30 20 CHED CCN(C(=O)CCc1ccc(Cl)cc1Cl)[C@H](C)C#N 598350648 QQFYNEIKSVYCBY-SNVBAGLBSA-N 299.201 3.687 30 20 CHED N#Cc1ccc(N(C(=O)[C@@]23CCC[C@H]2C3)C2CCC2)cc1 598886894 YBJCXWLIZPUJRZ-KBXCAEBGSA-N 280.371 3.634 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCCCc1cnoc1 600556993 ONDCOUDTOABYMD-UHFFFAOYSA-N 276.723 3.520 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc2cc(C)cc(C)c2o1 602279396 RBKUIADRRMTEIE-UHFFFAOYSA-N 285.347 3.713 30 20 CHED COc1ccc([C@H](C)N(C)C[C@H](C)CCC#N)cc1 602437390 WIPOAUWABDXONK-KGLIPLIRSA-N 260.381 3.628 30 20 CHED COc1ccccc1CN(C[C@H](C)CCC#N)C1CC1 602440888 MECGIMQODIKSDU-CQSZACIVSA-N 272.392 3.599 30 20 CHED CC[C@@H]1CCC[C@@H]1CN[C@H](C)CC1(C#N)CCOCC1 602678569 GGDBKCYIPNNDSI-BZUAXINKSA-N 278.440 3.501 30 20 CHED COCc1cc(C#N)ccc1NCc1cscc1C 603366653 QNAXUXJQCSBTGV-UHFFFAOYSA-N 272.373 3.687 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 604716724 LMBBFOVSUZNEBU-HUUCEWRRSA-N 281.440 3.642 30 20 CHED C[C@H](CNc1c(C#N)cnc2c(F)cc(F)cc12)C1CC1 609570866 HSHLOGVWIMXJQK-SECBINFHSA-N 287.313 3.843 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 610407144 QTOQDKCKQXGCKT-WMLDXEAASA-N 299.418 3.839 30 20 CHED C[C@]1(C#N)CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 612159791 DOPYZRYZUJFUDC-QGZVFWFLSA-N 299.349 3.606 30 20 CHED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCCCO1 613429002 DROPRWJRRIOBQA-OCCSQVGLSA-N 287.407 3.620 30 20 CHED CN(C)c1ccccc1CNCc1ccc(C#N)c(Cl)c1 619748937 SXHPWYYHYKHXGF-UHFFFAOYSA-N 299.805 3.567 30 20 CHED CC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 619755492 ZADAEZLHZMXFHE-DOMZBBRYSA-N 262.784 3.880 30 20 CHED C=CCC1(NCc2ccc(CCC)s2)CCOCC1 621370547 LCBNWAGWPIKDCT-UHFFFAOYSA-N 279.449 3.916 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)C1 628062399 FHQNEQQRHJUOQC-QBYUYEEZSA-N 261.409 3.627 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OC)cc1F 633819086 HLOKVTDRLIAWSD-UHFFFAOYSA-N 263.312 3.541 30 20 CHED C=CCC1(C(=O)Nc2cccc(O)c2F)CCCCC1 649337618 RTQNEANUPVHUOX-UHFFFAOYSA-N 277.339 3.996 30 20 CHED C=CCC[C@@H](N[C@H]1CCN(C(C)(C)C)C1)c1ccco1 658095480 HRDGWSAWZQMLPP-LSDHHAIUSA-N 276.424 3.749 30 20 CHED C=C1CCN(C(=O)c2ccc(C(F)(F)F)c(OC)c2)CC1 668303761 SVMKYVGANIXPKF-UHFFFAOYSA-N 299.292 3.506 30 20 CHED C=C(C)CCc1noc(Cc2c[nH]c3ccc(F)cc23)n1 671670856 HFOSIAZBERSSSE-UHFFFAOYSA-N 285.322 3.790 30 20 CHED C=C[C@@H](C)NC(=O)Nc1sc(-c2ccccc2)nc1C 680243750 CWRFNHSPYIGMRZ-SNVBAGLBSA-N 287.388 3.815 30 20 CHED C=CC[C@@H](C(=O)N[C@H]1CCC(F)(F)C1)c1ccccc1 681666337 SNTIRCJGTJVKMP-UONOGXRCSA-N 279.330 3.650 30 20 CHED CC(=O)c1cc(F)ccc1N(C)Cc1ccc(C#N)cc1 685266514 BSDCFXGBPOSXAG-UHFFFAOYSA-N 282.318 3.536 30 20 CHED CCc1ccccc1C(=O)Nc1cc(F)cc(C#N)c1 720267252 GDOIQCQUMSPIGH-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C=C(C)COC(=O)c1ccc(CN(CC)C(C)C)cc1 726052779 ABFFCNJRPVONJJ-UHFFFAOYSA-N 275.392 3.650 30 20 CHED C#CCN(CC)C(=O)/C=C\c1cccc(OC2CCCC2)c1 727667667 OEZHWRYPPCNNLZ-SEYXRHQNSA-N 297.398 3.503 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(F)cc1O 727779764 UFSNORPAZNYXOA-UHFFFAOYSA-N 258.296 3.676 30 20 CHED Cc1ccc(C(=O)OCc2ccc(F)cc2C#N)cc1C 728616033 MXSPJAOOAPYKDX-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CCc1ccsc1C(=O)OCc1ccc(F)cc1C#N 728624748 KDAWYZDGADPUOJ-UHFFFAOYSA-N 289.331 3.678 30 20 CHED C=CC[C@H](C)C(C)=NN=c1cc[nH]c2ccccc12 730147394 NKRQZSYWKUZQQK-LBPRGKRZSA-N 253.349 3.657 30 20 CHED O=C(/C=C/C=C/c1ccccc1)c1csc(C(=O)O)c1 730148227 CKMSQMMUBMGCDQ-KBXRYBNXSA-N 284.336 3.899 30 20 CHED O=C(/C=C/c1ccccc1Cl)c1csc(C(=O)O)c1 730149648 YKDINYAURVORAC-AATRIKPKSA-N 292.743 3.996 30 20 CHED COc1cccc(NN=Cc2cc(C)ccc2F)c1 734978536 LNUIVKRTOHFSMR-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=CCCCOC(=O)C1(c2cccc(Cl)c2)CC1 735529859 OOTYVXFHWIFCSC-UHFFFAOYSA-N 264.752 3.881 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2cccc(C#N)c2)[C@H](C)C1 736027314 BDIPSGKHYKSNSG-JMSVASOKSA-N 257.333 3.540 30 20 CHED CCC(=NNc1ccccc1Cl)c1c(C)nn(C)c1C 741838281 RQXNDVSDPFUWDZ-UHFFFAOYSA-N 290.798 3.917 30 20 CHED Cc1ccccc1O[C@H](C)C/N=C\c1ccccc1O 741843034 IJYRONZDJBMYFN-IIMQCXAKSA-N 269.344 3.587 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 741871692 ZATCYYIDHRKYLN-BFYDXBDKSA-N 298.455 3.923 30 20 CHED C=CCNC(=S)N(CC)[C@H](CC)Cc1ccc(C)cc1 741873452 ACGKWRYAZCQPBM-MRXNPFEDSA-N 290.476 3.699 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H](C)c2cccc(C#N)c2)c1 743501965 UIMWWICHWQIUBQ-HMHKGCENSA-N 294.354 3.843 30 20 CHED C=C(C)CCOC(=O)Cc1cn(CC)c2ccccc12 744299753 KMANYISWEVMHLA-UHFFFAOYSA-N 271.360 3.713 30 20 CHED C=C(C)CCOC(=O)COc1c(Cl)cccc1Cl 744304814 FDDIUFCHMQNTLB-UHFFFAOYSA-N 289.158 3.882 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccc(Cl)s2)o1 745611654 BJKKUGCILXPXMZ-UHFFFAOYSA-N 294.767 3.831 30 20 CHED CCOc1ccc(/C=N\CC[C@H](OCC)C(C)C)c(O)c1 746394055 NITFYUNUCLWRLA-KMTKGMGQSA-N 293.407 3.661 30 20 CHED CCCCO[C@H]1CC(=NNc2ccc(F)cn2)C1(C)C 747631329 JAHHZDQSOBUTLE-ZDUSSCGKSA-N 279.359 3.604 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1c[nH]c2cc(F)ccc12 749450546 AJBJLSNFBATQNP-AATRIKPKSA-N 284.290 3.808 30 20 CHED C[C@@H](CC(=O)OCCCCC#N)c1ccc(F)cc1F 751860638 RUOBZCCNPGFIPN-NSHDSACASA-N 281.302 3.695 30 20 CHED CC(C)OCCCON=C(c1ccccc1)C(F)(F)F 751964893 FPFIVYUBGGIJCZ-UHFFFAOYSA-N 289.297 3.785 30 20 CHED O=C(/C=C\c1cscc1Cl)c1cc(O)cc(O)c1 753717942 RQRUAAAIKWORJN-UPHRSURJSA-N 280.732 3.709 30 20 CHED C=CCCCOC(=O)c1cnc(Cc2ccccc2)s1 756295950 RBIDEDNADJAWDN-UHFFFAOYSA-N 287.384 3.857 30 20 CHED CC(C)(C)OCCCn1ccc(-c2ccc(C#N)cc2)n1 756872636 DITPRMHWALZBMF-UHFFFAOYSA-N 283.375 3.627 30 20 CHED COCc1ccc(/C=C/C(=O)c2cc(C)ccc2O)cc1 757468944 WEOXIIOZIDOMJW-CSKARUKUSA-N 282.339 3.743 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@@H]1CCC[C@H](C)C1)c1ccccc1 757765005 XHCQYFLJURBJBW-JQHSSLGASA-N 298.430 3.971 30 20 CHED C[C@H](OC(=O)c1ccc(CC#N)cc1)c1ccccc1 758691314 WIHKCNGYAOAHOO-ZDUSSCGKSA-N 265.312 3.671 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(F)ccc1F 759010110 JXBPFYSYCOHIBZ-UHFFFAOYSA-N 266.287 3.776 30 20 CHED CC(C)c1ccc(CC=NNc2ccc(Cl)nn2)cc1 760244749 WCJVVHYXJMQJNG-UHFFFAOYSA-N 288.782 3.894 30 20 CHED N#CC1(OC(=O)c2cccc(-c3ccoc3)c2)CCC1 761008651 YFBURHFVKOPTNN-UHFFFAOYSA-N 267.284 3.550 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(COc3cccc(C#N)c3)n2)C1 761798375 ZILXGRJTTXJWMS-TZMCWYRMSA-N 297.358 3.814 30 20 CHED C#CCCc1noc(-c2cccc(-c3ccccn3)c2C)n1 762014842 SYJINQIFNKFSRK-UHFFFAOYSA-N 289.338 3.673 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccsc1 764718052 JNHKSNBRCCLLOS-UHFFFAOYSA-N 264.781 3.915 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@](C)(O)c1cccc(Cl)c1 765676786 AALLBUIPGJOZFF-WOSRLPQWSA-N 281.827 3.738 30 20 CHED FC(F)C1CC(=NNc2ccc3ccccc3n2)C1 766009817 OMUUUVLKAPLERP-UHFFFAOYSA-N 261.275 3.678 30 20 CHED CC1(C)OCc2cc(C=NOCc3ccccc3)ccc2O1 766018939 NPOPXVFFUHJLNA-UHFFFAOYSA-N 297.354 3.882 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 766785570 VNNNEZBRLCFVFF-GHMZBOCLSA-N 284.277 3.717 30 20 CHED C#C[C@H](C)N(C)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 767236916 NEXSKYTWCXCLKP-AWEZNQCLSA-N 297.398 3.887 30 20 CHED CC(Cc1ccncc1)=NNc1ccc(C(F)(F)F)cn1 767748310 FKHNXYHJXMYRJS-UHFFFAOYSA-N 294.280 3.526 30 20 CHED Cc1cc(C(F)(F)F)c(Oc2ccc(C#N)cc2F)nn1 767815863 WSTNRODDJNHZBR-UHFFFAOYSA-N 297.211 3.607 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2cccc(C(=O)O)c2)C1 768358450 VQBNKJMCASBKRO-VXGBXAGGSA-N 260.337 3.609 30 20 CHED C#C[C@H](C)N(C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 769975418 GBFZJVPEASNYAN-AWEZNQCLSA-N 297.398 3.678 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)/N=C\c1ccccc1O 770568790 NNDUTTUJKHTUKI-RNSKRUMRSA-N 287.334 3.726 30 20 CHED C=CC[C@H]1N(C(=O)N[C@H](C)c2ccc[nH]2)CCCC1(C)C 770768194 REOSHMYUTKKVJD-UKRRQHHQSA-N 289.423 3.852 30 20 CHED CCCCCCCn1cc(C(=O)OC)nc1C1CC1 771665024 ZWYVVONCLOIXCQ-UHFFFAOYSA-N 264.369 3.518 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2nc3ccccc3cc2C#N)CCO1 771711607 YZTYXBHGSKTDJO-DOTOQJQBSA-N 295.386 3.722 30 20 CHED C#CCCCCC(=O)OCc1csc(-c2ccoc2)n1 773630886 SLUSWLJACKFSOY-UHFFFAOYSA-N 289.356 3.640 30 20 CHED CC/C=C(\C)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 774149030 KVIHVUJMVPIQNV-IZZDOVSWSA-N 276.767 3.921 30 20 CHED C=CCN(Cc1ccccc1F)C(=S)NC(C)(C)CC 774161485 CINCFPYWDVGBOK-UHFFFAOYSA-N 294.439 3.877 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)Cc1ccc(F)cc1 775926357 VFBSRYCIELQXOM-KGLIPLIRSA-N 277.383 3.865 30 20 CHED Cc1ccc(C(=O)OCc2ccc(CC#N)cc2)c(C)c1 776112672 XKMWIFXBJXJWLL-UHFFFAOYSA-N 279.339 3.727 30 20 CHED CCCC(CC)=NNC(=S)Nc1cccc(OC)c1 776179128 MGRWLIBYGRTOKT-UHFFFAOYSA-N 279.409 3.548 30 20 CHED O=C(/C=C/c1ccccc1OC(F)(F)F)c1cscn1 776192996 VBYYEUQAOGHRBF-AATRIKPKSA-N 299.273 3.938 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(OC)c(F)c1 776193508 ZRIWKJBNXGJLMP-GQCTYLIASA-N 285.318 3.688 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)s1 776727319 VYHYSHONXLBXMB-SREVYHEPSA-N 271.316 3.963 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=Cc1cc(C#N)cs1 777448875 RUYFSWKGKSVQJR-QGZVFWFLSA-N 297.427 3.811 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(F)nc2)c1 777466607 ASPGMWSWYWJLTI-VURMDHGXSA-N 271.291 3.516 30 20 CHED N#Cc1cccc(C2(NCc3ccc(CF)cc3)CC2)c1 777721536 OEXJHLPSLWOYKK-UHFFFAOYSA-N 280.346 3.807 30 20 CHED Clc1ccnc(NN=C[C@@H]2CCc3ccccc32)c1 777905304 DPQPSBDWYXUOMX-LBPRGKRZSA-N 271.751 3.863 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1sc(C)nc1C 777906754 FVRKQIMARDOUBT-UHFFFAOYSA-N 280.784 3.644 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](F)Cc2ccccc2)c1 777954965 GHRYNEVHISPVDD-KRWDZBQOSA-N 299.345 3.771 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc(Cl)cn2)c1 778220341 UVRCBPFIARVTQK-UHFFFAOYSA-N 270.763 3.743 30 20 CHED CCc1cccnc1C(C)=NN[C@H](C)c1ccccc1 779769838 AMNATWWVDQBZFF-CYBMUJFWSA-N 267.376 3.719 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccc(CC)cc1 782440613 USVVPAXJOFNORO-QGZVFWFLSA-N 276.376 3.521 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@@H](C(F)(F)F)C2)n1 783510793 DBWBPAFBIUMOFU-SNVBAGLBSA-N 286.301 3.614 30 20 CHED Cc1ccncc1/C=C/C(=O)O[C@@H](C)c1ccc(C#N)cc1 784060095 SJCQKIYHCUDNNI-NPQIQWPPSA-N 292.338 3.579 30 20 CHED CCCCCC(C)(C)CNC(=O)CC(C)(C)C#N 784086201 ROCSAHVVEOHYPW-UHFFFAOYSA-N 252.402 3.649 30 20 CHED C=CCCN(C)C(=O)c1cc2cccc(Cl)c2o1 786223439 MVTUOJTVONNRNF-UHFFFAOYSA-N 263.724 3.734 30 20 CHED CCCCCCCOC(=O)[C@@H](C)c1c(C)n[nH]c1C 786309862 KKHSYVXAKHEPHB-NSHDSACASA-N 266.385 3.644 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)c1ccc(C)cc1C 788129374 UPLHUVUDBUMXIN-UHFFFAOYSA-N 296.345 3.981 30 20 CHED C#CCC1(C(=O)Nc2ccc(N(C)C)cc2)CCCCC1 788421971 LLCLOJPNVCSURA-UHFFFAOYSA-N 284.403 3.665 30 20 CHED C#CCOc1cc(F)ccc1NCCCCOC(C)(C)C 788797229 MTBTWHNBANOWRY-UHFFFAOYSA-N 293.382 3.845 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCC(=O)c2cccn21 789241560 XYHLQTFULGEQOS-AWEZNQCLSA-N 277.364 3.519 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C[C@H]1C[C@H]2CC[C@H]1C2 790310689 KWZOEAUNBJDQLZ-GARJFASQSA-N 277.299 3.568 30 20 CHED C=CC[C@@H](C)NCc1cnn(Cc2ccccc2)c1Cl 790541642 AQWSSDQKZNPQBM-CYBMUJFWSA-N 289.810 3.639 30 20 CHED CCC(=NNc1ccc(Cl)nn1)c1cccc(C)c1 794859739 BGNMVIVJBACLNG-UHFFFAOYSA-N 274.755 3.665 30 20 CHED COCCN(C)N=C(C)C(c1ccccc1)c1ccccc1 794971371 SFPMFAWVRZRLIG-UHFFFAOYSA-N 296.414 3.773 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)OCc1cccc(C#N)c1 796321997 KEMUUFNQBLTTFD-HZPDHXFCSA-N 271.360 3.818 30 20 CHED C=CC[C@@H](CC)NC(=S)N[C@H](C)c1ccccc1 798376032 RKEITKIATGHMRH-TZMCWYRMSA-N 262.422 3.566 30 20 CHED Fc1cccc(C=NOCc2cnc3ccccc3c2)c1 799174349 FISSUGJQXZQGJM-UHFFFAOYSA-N 280.302 3.925 30 20 CHED C=C(C)CNC(=S)Nc1cc(C)c(Cl)c(C)c1 799514100 ANOJHCNCOJPZLB-UHFFFAOYSA-N 268.813 3.819 30 20 CHED C/C(C=NNC[C@@H](C)C#N)=C\c1ccccc1C(F)(F)F 799883237 VIGKIRBLZDKYIE-BLFLIZGUSA-N 295.308 3.844 30 20 CHED Cn1cnc(/C=C\C(=O)c2cc(Cl)ccc2Cl)c1 800791573 CFNTWBZUTDPILX-HYXAFXHYSA-N 281.142 3.623 30 20 CHED Cc1cc(C)cc(OCCCSCCO[C@@H](C)C#N)c1 802749434 CKWWJLGLWOBOHH-HNNXBMFYSA-N 293.432 3.734 30 20 CHED C=C(Cl)CN1CCCn2c(cc3ccccc32)C1 805841117 GMNCVRPIFTVJCE-UHFFFAOYSA-N 260.768 3.600 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCc2nc(Cl)ccc21 806164543 WJKOVPYFVZNXPT-CMPLNLGQSA-N 250.773 3.667 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)[C@@H]1CCCOC1 806498978 JBJVFPKMIKZUOM-HZPDHXFCSA-N 298.471 3.803 30 20 CHED O=C1/C(=C\c2ccsc2)Cc2nc(Cl)ccc21 806579807 SRBLXQVJBSIRKL-UITAMQMPSA-N 261.733 3.619 30 20 CHED C=CCCCCCCNC(=O)N(CCC)C1CC1 807569675 JLTXCSUUBUABSP-UHFFFAOYSA-N 252.402 3.707 30 20 CHED CCN(C(=O)CCCCCC#N)c1ccc2[nH]ccc2c1 807626854 LOEVNBMHFTVZED-UHFFFAOYSA-N 283.375 3.995 30 20 CHED C=CCCCCCCCNC(=O)C1=C(C)OCCS1 811589660 BVHDBILUCNQHPZ-UHFFFAOYSA-N 283.437 3.624 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)cc1 811685280 NSCKYFBUUBZDSP-KTKRTIGZSA-N 265.287 3.902 30 20 CHED Clc1ccccc1CN1CCC(=NOC2CCC2)CC1 812238345 SSPCPTGHJNULEJ-UHFFFAOYSA-N 292.810 3.861 30 20 CHED CC(=NNc1cccc(Cl)c1)c1csc(C)n1 812379852 XYDUKVBKYWLUAX-UHFFFAOYSA-N 265.769 3.941 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cc(OC)ccc1Cl 812930532 NIZTUPZTHFPABR-UHFFFAOYSA-N 299.757 3.511 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NOC[C@@H](C)CC 813825129 CFHNJBBRGPDFKQ-AWEZNQCLSA-N 282.428 3.742 30 20 CHED CC(=NOCCC1CC1)c1nc2c(s1)CCCC2 814247023 NIMMDWGVZIYGKJ-UHFFFAOYSA-N 264.394 3.563 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 814387304 OIFYSZVJGLZZTJ-IAGOWNOFSA-N 296.414 3.725 30 20 CHED CC(Cn1cccn1)=NNc1ccc(Cl)c(Cl)c1 814796980 YWGAURSNHGHBGN-UHFFFAOYSA-N 283.162 3.678 30 20 CHED CCCNN=C(C)c1sc(-c2ccc(F)cc2)nc1C 814804406 NQHUMAOVQWFHLT-UHFFFAOYSA-N 291.395 3.981 30 20 CHED C(=NNc1cccc2cnccc12)c1ccc2oncc2c1 814836041 HJHDZECMDQPZJA-UHFFFAOYSA-N 288.310 3.822 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NN=Cc1cccnc1Cl)C2 814918889 HJXSOPXRXCNUNQ-XEZPLFJOSA-N 291.826 3.873 30 20 CHED C#CCOc1cccc(NC(=O)c2ccn(C(C)C)c2C)c1 815521188 CEIHKLBDNFTOMD-UHFFFAOYSA-N 296.370 3.642 30 20 CHED C#CCCCCN[C@@H](C)c1cccc(C(F)(F)F)c1O 815595752 ADTAESFDPBTJOE-NSHDSACASA-N 285.309 3.865 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1scnc1C(C)C 821813370 JLOCLWGWOBFVET-JTQLQIEISA-N 252.383 3.807 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 822957762 ISOTXFGGHOKUDW-CXAGYDPISA-N 282.387 3.654 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 823894662 WCHVAMXXRYOOFA-KBPBESRZSA-N 299.422 3.652 30 20 CHED C#CCCCCC(=O)Nc1ccc(C(C)C)cc1C(=O)O 833362625 BDRHAFGVPSWILS-UHFFFAOYSA-N 287.359 3.640 30 20 CHED Cc1nc(C#N)c(NN=C2CC[C@H](CCC(C)C)C2)o1 834942221 OATJXJOELGPYBZ-LBPRGKRZSA-N 274.368 3.859 30 20 CHED C[C@@H](CC#N)OC(=O)C1(Cc2cccc(Cl)c2)CC1 835158800 KZILKZWYNFNECR-NSHDSACASA-N 277.751 3.508 30 20 CHED C=C[C@H](OC(=O)c1sc(COCC)nc1C)C(C)(C)C 835390066 AQWKWTCVNITGMB-NSHDSACASA-N 297.420 3.746 30 20 CHED C=CC(C)(C)COC(=O)[C@H](C)Cc1cnc2ccccc2n1 835722341 RUJHYNLUEPOSTP-CYBMUJFWSA-N 298.386 3.564 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)c2ccc(C#N)cn2)cc1 837071629 YJKBQESUMBYXCH-UHFFFAOYSA-N 293.370 3.565 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cnc3c(F)cccc3c2)C1 839061934 JCFCSYBIBUTZAL-BXUZGUMPSA-N 298.317 3.613 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)nc2Cl)CCCC1 839303568 XBKNGLIHPULHGM-UHFFFAOYSA-N 294.782 3.819 30 20 CHED CCOc1cccc(/C=N/CCC2CC(F)(F)C2)c1O 840711011 UHGCTHDVRKBSNR-VCHYOVAHSA-N 283.318 3.645 30 20 CHED COCC1CCC(/N=C/c2cc3ccccc3nc2O)CC1 840713407 RWWLZPDQVMDXLB-YBFXNURJSA-N 298.386 3.565 30 20 CHED C=CCCCCC[C@@H](C)NCc1cccc(C(=O)O)c1 840996639 FKBAZNFGFDCKKZ-CQSZACIVSA-N 275.392 3.999 30 20 CHED CCC(=NNc1ncc(F)cc1F)[C@@H]1CC1(C)C 841644028 RZUWPDPEJYMFHL-VIFPVBQESA-N 253.296 3.584 30 20 CHED C#CC[C@@H](OC(=O)[C@@H]1CCOc2ccccc21)C(C)(C)C 842336875 YLGUOWVWLQWGEI-GDBMZVCRSA-N 286.371 3.534 30 20 CHED C#C[C@H](OC(=O)c1ccnn1C1CCCC1)c1ccccc1 842365634 QTYVGHDDJFKDPY-KRWDZBQOSA-N 294.354 3.530 30 20 CHED C#CC(C)(C)N(C)Cc1csc(-c2ccc(C)o2)n1 844321225 QCTFEMGCQKGCEV-UHFFFAOYSA-N 274.389 3.555 30 20 CHED C#CCC1(OC(=O)c2ccc(C(F)F)cc2F)CCC1 847698109 QSWLCJTWQJLFAR-UHFFFAOYSA-N 282.261 3.866 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@](C)(O)c1ccsc1 850436257 IOBVXCJSMTYNTP-BMFZPTHFSA-N 279.449 3.680 30 20 CHED Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)c(C2CC2)n1 851206960 ZCWYIBPOLCJXIL-GFCCVEGCSA-N 286.375 3.753 30 20 CHED CCOc1ccc(C=NOCc2ccccc2F)cc1 852202854 OEVRXWKOCGHFJD-UHFFFAOYSA-N 273.307 3.775 30 20 CHED Cc1cccc2[nH]c(C=NN3CCCC[C@H]3C)cc12 853384714 MSGIVSPLUSDJLG-CYBMUJFWSA-N 255.365 3.685 30 20 CHED COCCCC(C)=NNc1cc(F)cc(Cl)c1 853396352 GLFZJIDVTJAKBO-UHFFFAOYSA-N 258.724 3.694 30 20 CHED CCN(Cc1cc(C(C)C)c(C)cc1O)[C@H](C)C#N 853582885 VABDJXCRERJMJJ-CYBMUJFWSA-N 260.381 3.558 30 20 CHED COc1ccc(-c2ccc([C@H](O)C3CC3)cc2)cc1C#N 854189110 NIEXNMZDWUSFBR-SFHVURJKSA-N 279.339 3.677 30 20 CHED C[C@@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)c1ccco1 859812232 LBGKFLQYUCGZEM-STQMWFEESA-N 283.327 3.949 30 20 CHED N#Cc1cc([N+](=O)[O-])c(N[C@H]2CCCC(F)(F)C2)cc1F 865624546 VEWJONGSTABWEM-VIFPVBQESA-N 299.252 3.595 30 20 CHED C[C@H]1CC[C@H](C(=O)N(C)c2ccc(C#N)c(Cl)c2)C1 876167009 IKTFIPIDFWTNSH-QWRGUYRKSA-N 276.767 3.611 30 20 CHED CC(C)Oc1ccc(N[C@H]2CCOC(C)(C)C2)cc1C#N 877178050 ZFAQLYMFGNBEKB-HNNXBMFYSA-N 288.391 3.715 30 20 CHED C#CCCCCCCN(Cc1cccnc1)C1CC1 877532666 ZDSJGFWCEIUFDJ-UHFFFAOYSA-N 256.393 3.630 30 20 CHED CC[C@@H]1C[C@H](C)CN1CC[C@@](C#N)(C(C)=O)c1ccccc1 878155121 KVSNRGMBBUFING-KFKAGJAMSA-N 298.430 3.547 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2c(c1)CCCC(=O)N2 878723881 ROLFENGEVBXDTI-UHFFFAOYSA-N 286.375 3.502 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H]1CC[C@@H](SCC)C1 879169998 NRTKZSYGWARCGC-QWHCGFSZSA-N 269.454 3.721 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)s1 899342947 KPMWKKWAXHJDSY-VOTSOKGWSA-N 272.373 3.874 30 20 CHED N#CC1(CC[S@](=O)Cc2ccsc2)CCCCC1 899434001 QDSQQOXTMDORPG-SFHVURJKSA-N 281.446 3.861 30 20 CHED CC[C@H](NCC1CCC(C#N)CC1)c1cccc(C#N)c1 902981120 IDCJVYHDUCEBDH-JMLCCBQJSA-N 281.403 3.929 30 20 CHED Cc1oc(-c2cccs2)nc1C=NO[C@@H]1CCCCO1 905456071 FPGYBZGPDXOXGS-CYBMUJFWSA-N 292.360 3.589 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1c[nH]cc1C1CC1 910468983 YEDDCNVCJSKZBB-MRXNPFEDSA-N 294.398 3.809 30 20 CHED C=CCOc1ccccc1C(=O)Oc1c(F)cccc1F 914439784 MRBCYZYGBIEALO-UHFFFAOYSA-N 290.265 3.749 30 20 CHED C=C(C)COC(=O)/C=C/c1ccccc1OC(F)(F)F 914810651 WXFBBCITJWFIHG-BQYQJAHWSA-N 286.249 3.718 30 20 CHED CCc1ccccc1NN=C(C)c1ccc2c(c1)OCO2 915051639 KXCGUKXKCKSONS-UHFFFAOYSA-N 282.343 3.814 30 20 CHED C#CCNC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 915313796 QGNHVQGEJIIOGK-UHFFFAOYSA-N 280.327 3.542 30 20 CHED C[C@H]1CCCCC1=NNc1nncc2ccccc12 915914025 GYRVASNRSBQAHZ-NSHDSACASA-N 254.337 3.608 30 20 CHED CCC(C[C@@H](C)CC)=NNc1cncc(Cl)n1 915959004 GSAGDSQYCGIFJX-VIFPVBQESA-N 254.765 3.744 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1cc(C)ccc1C 916240536 GFNOVPKYGMYBLV-UHFFFAOYSA-N 282.343 3.838 30 20 CHED Cc1cc(C)c(C=NNc2ccc([N+](=O)[O-])cc2)cc1C 916245099 UUIAPPRZXBKYHH-UHFFFAOYSA-N 283.331 3.966 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C/N=C\c2ccccc2O)o1 917556789 MYZNRJHXTDUMJE-PALVTCJPSA-N 255.317 3.728 30 20 CHED CCCCCCC(C)=NNc1ccc(Cl)nn1 917565880 YBOXOBMMPJHINA-UHFFFAOYSA-N 254.765 3.888 30 20 CHED C=CCN(C(=S)NC[C@H](CC)CCCC)C(C)C 917588989 BAFCLIXUXHLZCZ-CQSZACIVSA-N 270.486 3.974 30 20 CHED CCCCCCCCC(=O)N(C)Cc1ccoc1 918391908 HOOUPRGICUYDOL-UHFFFAOYSA-N 251.370 3.989 30 20 CHED N#C[C@@H]1CC[C@H](SCc2cccc(F)c2F)C1 918861875 ROHOFILQUDSPLB-KOLCDFICSA-N 253.317 3.890 30 20 CHED CCOc1ccc(C=NNc2cc(F)cc(F)c2)cc1 920376469 IWALDRBGQCKXIB-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CC(C)(C)Oc1ccc(C/N=C/c2cccc(O)c2O)cc1 920480235 BCKXUJYZQOWPLP-XDHOZWIPSA-N 299.370 3.894 30 20 CHED C=CCC[C@H](N[C@H](C)c1cc(CO)on1)c1ccccc1 925579980 PELUPLVSERXDOB-CJNGLKHVSA-N 286.375 3.525 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C1(Cl)CC1 926603979 XVWDFIMISWUHNV-NHYWBVRUSA-N 274.795 3.685 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1ccc(F)cc1F 929725361 ZPPDKBILFHZXSH-LLVKDONJSA-N 267.319 3.526 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(-c2csnn2)cc1 930395174 XOUDPPVVCSRQGM-LLVKDONJSA-N 287.388 3.746 30 20 CHED C=C1CCN(C(=O)Nc2ccc(-c3ncco3)cc2)CC1 930611637 KJRCVZHRYJDHLT-UHFFFAOYSA-N 283.331 3.526 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCC[C@H](C#N)C1 931288782 SQKVOHAFQCYDJW-CQSZACIVSA-N 283.375 3.573 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H](C)c1ccc(C)cc1 1127025667 SNCZJOZZEIULIM-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED C=C(CNC(=O)c1cccc(OCCC)c1)c1ccccc1 1129588382 VCORQIXJUWJPHP-UHFFFAOYSA-N 295.382 3.919 30 20 CHED Cc1cc(C)cc(CNc2ncc(C#N)cc2Cl)c1 1155899143 YEVUWOSOBOMSOU-UHFFFAOYSA-N 271.751 3.836 30 20 CHED CCC[C@@H](CN1CCC(c2ccc(C#N)cc2)CC1)OC 1184046491 WNEVLWYNEPYAAH-SFHVURJKSA-N 286.419 3.553 30 20 CHED C=CCC(C)(C)c1nnc(-c2ccc(OC)cc2)o1 1251948490 KIZVZMBPYQLASB-UHFFFAOYSA-N 258.321 3.599 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)CCC(C)C 1293066115 XTACQJBEFNCRQE-HZPDHXFCSA-N 278.440 3.991 30 20 CHED C[C@@H](CCc1ccccc1)CNc1n[nH]c(C2CC2)c1C#N 1308430615 PFJUJZCDNCYJHF-ZDUSSCGKSA-N 294.402 3.840 30 20 CHED CC[C@@H](NC(=O)Nc1sccc1C#N)C1CCCC1 1310956355 IKMPTZFWSYIBJY-GFCCVEGCSA-N 277.393 3.710 30 20 CHED COc1cc(O)ccc1/C=C1/Cc2ccc(C)cc2C1=O 1318350379 DHPZGUAXIJXYFH-ZROIWOOFSA-N 280.323 3.532 30 20 CHED Cc1ccccc1C(F)(F)C(=O)Nc1ccccc1C#N 1319843618 YBRCEDBKBYSKDL-UHFFFAOYSA-N 286.281 3.597 30 20 CHED CC(C)(C)ON=CC(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1 1320326056 WSBGYKOXPPGUFE-CQSZACIVSA-N 292.379 3.874 30 20 CHED C=C[C@@H](COC)NC(=O)[C@H](CC1CCCCC1)C(C)C 1320442206 LJYSDDRFRAFHTE-JKSUJKDBSA-N 281.440 3.546 30 20 CHED C=CCn1cnnc1SCc1ccc(Cl)cc1F 1320628994 FWNHYELHIGQSDK-UHFFFAOYSA-N 283.759 3.549 30 20 CHED N#CCc1cccc(N[C@@H]2CCCOc3cc(F)ccc32)n1 1321328348 CGQFSPMQTFXBOB-OAHLLOKOSA-N 297.333 3.613 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cccc(CC(C)C)c1 1321857443 NPVYYTVMGLPBNB-RHSMWYFYSA-N 261.409 3.737 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)c1ccc(F)cc1F 1322190163 ROUIVSXEHNMFHF-WCQYABFASA-N 279.330 3.635 30 20 CHED C=C[C@H](COC)Nc1nc2cc(Cl)cc(Cl)c2o1 1322286082 JLVKQAWRDMZCJM-MRVPVSSYSA-N 287.146 3.748 30 20 CHED CCCCCCCOC(=O)c1cnc(C)nc1C1CC1 1322569322 DAQQQYRWYIVACW-UHFFFAOYSA-N 276.380 3.790 30 20 CHED Cc1coc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1C 1327853976 PUFVGGOBEPPZOE-UHFFFAOYSA-N 298.342 3.808 30 20 CHED Cc1oc(C(C)C)nc1-c1nnc(-c2ccc(C#N)cc2)o1 1329322959 AEFIBAHPXWVYJS-UHFFFAOYSA-N 294.314 3.695 30 20 CHED CC[C@H](C)CCc1nnc(-c2ccc(C#N)cc2)o1 1330099130 KCLPDJQYAXKOLA-NSHDSACASA-N 255.321 3.587 30 20 CHED N#Cc1cccc(N(C(=O)[C@@H]2C[C@H]2C2CCC2)C2CCC2)c1 1333647376 BLAWJVCKOJGKLA-ZWKOTPCHSA-N 294.398 3.880 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H](C)c1ccncc1 1336215144 CAQWLOGCCRWWNX-GOEBONIOSA-N 272.392 3.532 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(C(C)(C)C)on1 1336760973 VNGHYTXVFZGGBX-LBPRGKRZSA-N 276.380 3.543 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1343310857 CFPTXAIENXJUAS-HCYCVZQXSA-N 280.302 3.500 30 20 CHED C=C(CC)C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 1348506949 QMQLPELUDPUGKA-SWLSCSKDSA-N 273.376 3.860 30 20 CHED N#C[C@H](C(=O)C1=CCCC1)c1nc2cccc(Cl)c2[nH]1 1349759851 DGIXIYVDTFABNS-SNVBAGLBSA-N 285.734 3.503 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccsc2C(F)F)c1 1436643515 HADRSWJBEKQXBL-UHFFFAOYSA-N 296.273 3.949 30 20 CHED N#CCc1ccccc1C(=O)N1CCc2c(Cl)cccc21 1446141562 RLVAMBQPHNNNIC-UHFFFAOYSA-N 296.757 3.609 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccccc1NC(C)C 1453568215 SPSIWVBZBBRNIT-UHFFFAOYSA-N 293.370 3.939 30 20 CHED N#C[C@]1(F)CCN(CC2CCC(c3ccccc3)CC2)C1 1459949774 KYOPOORBQNKSFB-VMWRSERWSA-N 286.394 3.898 30 20 CHED Cc1nc2c(NC(=O)c3cc(C#N)ccc3C)cccc2o1 1460043875 LYFQXKPSDXDUMM-UHFFFAOYSA-N 291.310 3.569 30 20 CHED N#Cc1cccc2c1CCN2CCOC1CCCCCC1 1460288276 XKBCXAWXUBZWNN-UHFFFAOYSA-N 284.403 3.660 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1ccc(C#N)cc1F 1463082726 VWOWIRHPIZUDFP-UHFFFAOYSA-N 296.345 3.586 30 20 CHED Cc1cc(N(CCC#N)CCC(C)C)nc(C2CCC2)n1 1472738189 FSBALYUKURPRSF-UHFFFAOYSA-N 286.423 3.819 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1cccc(OCC#N)c1 1515825766 QQPWLDCQRGRYTG-UHFFFAOYSA-N 298.317 3.543 30 20 CHED CC1(C)CC(C(=O)Nc2ccc(C#N)cn2)CC(C)(C)C1 1537189987 VWCXEGAVOLLFNX-UHFFFAOYSA-N 285.391 3.744 30 20 CHED C[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc23)C[C@@H]1C 1559116279 UEVPREBMESAGQR-QWRGUYRKSA-N 285.778 3.852 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 1595445783 PEHFIXLKYJZQDV-KZNAEPCWSA-N 298.430 3.844 30 20 CHED O=C(O)CCC[C@H]1CCCC(=NOC/C=C/Cl)C1 1601979762 BPEHGRAGQYXOQW-HKLFAUBASA-N 273.760 3.557 30 20 CHED CCc1nc(C#N)cc(N(C)[C@@H]2CCC[C@H]2C(C)(C)C)n1 1612505337 UNBABUKEAVGKAU-ZIAGYGMSSA-N 286.423 3.562 30 20 CHED CC(C)C[C@@H]1C[C@H]1Nc1nc(C#N)c(Cl)s1 1642777748 KBGGWFKAVBBPGR-HTQZYQBOSA-N 255.774 3.515 30 20 CHED N#Cc1ncccc1S[C@H]1CCc2ccc(F)cc21 1643928770 ISJTYKARQYPXMA-AWEZNQCLSA-N 270.332 3.872 30 20 CHED CCN(CC1CCC1)c1nc(C(C)(C)C)ccc1C#N 1651782297 XHYSJWSFADQFPT-UHFFFAOYSA-N 271.408 3.877 30 20 CHED C=C(CNC(=O)NCC12CCC(CC1)C2)c1ccccc1 1680982294 FTWWWSLXTHCUEI-UHFFFAOYSA-N 284.403 3.579 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CCC[C@H](C)C1 1749267201 PFLMPBVASBGGLN-NSHDSACASA-N 294.830 3.534 30 20 CHED CC(C)[C@H]1CCC(=NNc2ccc(C(=O)O)cc2)C1 1776013259 RCMNLXICOCNLKT-LBPRGKRZSA-N 260.337 3.609 30 20 CHED O=C(O)c1cccc(NN=C2C[C@@H]3CCCC[C@@H]3C2)c1 1776037781 BMUFAAYNWIZQMU-TXEJJXNPSA-N 272.348 3.753 30 20 CHED CC(Cc1cccs1)=NNc1cccc(C(=O)O)c1C 1776086695 IZHOBOGJWLUBHY-UHFFFAOYSA-N 288.372 3.785 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cs1 1777418522 RWYSUSUFRHZDIK-QPJJXVBHSA-N 272.325 3.651 30 20 CHED COCCOc1ccc(C(=O)/C=C/c2cccc(C)c2)cc1 59270530 MKXZMMUKGYZSCB-IZZDOVSWSA-N 296.366 3.916 30 20 CHED CC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](C)C#N 57862513 UGNOLYWVVDWUJA-FZMZJTMJSA-N 250.773 3.883 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 56817254 DJNLBHNMKQUMRW-PBHICJAKSA-N 299.418 3.526 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)Cc1sccc1C 58453508 QIGJDTOCBBMYKY-UHFFFAOYSA-N 299.399 3.901 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1Br 281167666 XJIDTELERWLKOS-JTQLQIEISA-N 282.181 3.534 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(F)c(C#N)c1 102954827 OQYBDLLKNSEHQM-AWEZNQCLSA-N 289.354 3.740 30 20 CHED N#Cc1ccc(CN2CCCc3ccccc32)s1 179548760 FEFROPNPCUDFGY-UHFFFAOYSA-N 254.358 3.573 30 20 CHED CC(C)c1nnc(S[C@@H](C)c2ccc(C#N)cc2)n1C 118176555 UDDCPRNZHKZUQV-NSHDSACASA-N 286.404 3.663 30 20 CHED N#Cc1ccccc1Cn1ccc(-c2ccsc2)n1 106437242 MKLYWORIUZQAMZ-UHFFFAOYSA-N 265.341 3.532 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccsc2)c1 66463522 YKBLOIBXRZFOBX-UHFFFAOYSA-N 273.357 3.955 30 20 CHED C=CCCC(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 115252069 FFRRGDMQXCBHEY-GOSISDBHSA-N 294.398 3.756 30 20 CHED N#Cc1cccnc1NCC1(c2cccc(Cl)c2)CC1 301351720 KRIRMEOVWALFOG-UHFFFAOYSA-N 283.762 3.750 30 20 CHED COc1c(F)cc(NCc2cc(C#N)ccc2F)cc1F 178319930 MQIBAHOBKRLPMQ-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=CCCCC(=O)N1c2ccccc2N(C)CC[C@@H]1C 175744082 XOTJBEDXCZURGF-AWEZNQCLSA-N 272.392 3.604 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)Nc1cccc(C#N)n1 301480895 RZNIDARCLVVSQG-CHWSQXEVSA-N 251.333 3.557 30 20 CHED C[C@@H](OC(=O)C1(c2ccccc2)CC1)c1ccc(C#N)cc1 175796959 CFLWVIDZODWORW-CQSZACIVSA-N 291.350 3.894 30 20 CHED C[C@H](CCc1cccn1C)Nc1ccc(Cl)cc1C#N 301475796 WHUZFEFRIZNEAP-GFCCVEGCSA-N 287.794 3.983 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 116971309 ZXBIOJSIGTUESP-RDJZCZTQSA-N 286.419 3.676 30 20 CHED CC[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 66397658 YBAFXCFBQUTAML-DOMZBBRYSA-N 272.392 3.711 30 20 CHED C=C[C@@H](CC(=O)N(CC(F)F)C(C)C)c1ccccc1 179325663 YIMFAALLOYQDET-ZDUSSCGKSA-N 281.346 3.848 30 20 CHED CCCCCCCC(=O)Nc1cnn(CC2CC2)c1 173372244 WIWPXFLWTAEXPE-UHFFFAOYSA-N 263.385 3.592 30 20 CHED N#Cc1cccc(C[S@@](=O)CCCCc2ccccc2)c1 187095708 KSOSRETXDCPEQW-NRFANRHFSA-N 297.423 3.830 30 20 CHED CCc1ccsc1C(=O)Nc1cccc(C#N)c1C 178628044 WJUJHZDQIMLBTK-UHFFFAOYSA-N 270.357 3.743 30 20 CHED N#Cc1cc(F)c(N[C@@H]2C[C@H]2c2ccc(F)cc2)c(F)c1 302827736 BPJSUGKRWYGKFN-SWLSCSKDSA-N 288.272 3.944 30 20 CHED CC(C)(C#N)CCCN1CCN(CC2CCCCC2)CC1 174834493 XXFRJUUKDDWJGQ-UHFFFAOYSA-N 291.483 3.514 30 20 CHED Cc1nnc(N2CCCC3(CCCCC3)C2)c(C#N)c1C 408106738 ZJBKVQSNSYPKGJ-UHFFFAOYSA-N 284.407 3.516 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1Nc1ncc(C#N)cc1Cl 302348947 ASSDFXAEWZQYPD-KGLIPLIRSA-N 293.798 3.612 30 20 CHED Cc1nc2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2o1 185861492 YWOIDQALMIXTIX-NWDGAFQWSA-N 255.321 3.631 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2ccc(F)cc21 176976713 UJDZXSFMERIRSA-UHFFFAOYSA-N 273.351 3.873 30 20 CHED CC(C)[C@@H](CNC(=O)C1(C#N)CCCC1)Cc1ccccc1 188785712 PETHLMLAQWMKDS-QGZVFWFLSA-N 298.430 3.701 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2C)c(OC)c1 33391483 DKEHFCGFAAZJAQ-FLIBITNWSA-N 282.339 3.908 30 20 CHED Cc1ccccc1COC(=O)C1(C#N)CCCCC1 64203303 QLAGSXZLKKEBLF-UHFFFAOYSA-N 257.333 3.512 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CCc3c(O)cccc32)c1 302125288 WEHPHXQHPMOGAD-INIZCTEOSA-N 292.338 3.566 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(Cl)c(OC)c2)c1 129147942 DNZDYVWBWRJXBT-UHFFFAOYSA-N 299.757 3.607 30 20 CHED C[C@@H]1CCCCN1CCCCNc1ccc(C#N)cc1 301077157 GQPJAJWLRZPIEL-OAHLLOKOSA-N 271.408 3.625 30 20 CHED C=C(C)CSCc1nnc(-c2ccc(Cl)cc2)n1C 185078426 CTWGWUDOTZHVRY-UHFFFAOYSA-N 293.823 3.945 30 20 CHED CCC[C@H](Nc1ncccc1C#N)c1ccccc1 78329792 RSZZCDCLOLMKJF-HNNXBMFYSA-N 251.333 3.907 30 20 CHED C[C@H](NCCCC#N)c1ccc(OC(F)(F)F)cc1 182520131 KKHFTSPFOLGMHO-JTQLQIEISA-N 272.270 3.540 30 20 CHED O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 33747583 ASSGQEPGOYLKRK-XQRVVYSFSA-N 277.663 3.737 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1ccccc1O[C@H](C)C#N 182037048 MAVPNMQIPBQNJZ-CYBMUJFWSA-N 288.391 3.988 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)C1CCN(C(=O)OC)CC1 186765965 JBCVDGGZIBXIQD-HOCLYGCPSA-N 296.455 3.578 30 20 CHED Cc1cccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1C 33178811 FWBWQTCRQOSFEC-AWEZNQCLSA-N 278.355 3.666 30 20 CHED Cc1nc(C)c(C#N)c(SCc2ccc(F)c(F)c2)n1 73719290 ZLVWICRAVBJGPQ-UHFFFAOYSA-N 291.326 3.536 30 20 CHED C=CCSCCN[C@@H]1CCSc2ccccc21 180453954 ITEFASUJSRPSKZ-CYBMUJFWSA-N 265.447 3.732 30 20 CHED CSCCCCCCN[C@@H]1CCC[C@H](C#N)C1 185897029 CZAOJVZHTYZOPK-UONOGXRCSA-N 254.443 3.582 30 20 CHED CC(C)Oc1ccc(CNCc2cccc(C#N)c2)cc1 37502742 NYJJVEUZIORKKI-UHFFFAOYSA-N 280.371 3.635 30 20 CHED C=C(C)[C@H](N[C@H](CC)COC)c1ccc(F)c(F)c1 186449547 TVRQCBLJVMJMEJ-DOMZBBRYSA-N 269.335 3.597 30 20 CHED C[C@@H](Cc1ccncc1)Nc1ccc(C#N)c(Cl)c1 487653459 PLYDVCBTLWHMCV-NSHDSACASA-N 271.751 3.650 30 20 CHED CC1(C)C(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1(C)C 505797093 SJJUEFLYNRTUIB-LBPRGKRZSA-N 290.794 3.703 30 20 CHED CCCCCCCC(=O)N(C)[C@@H](C)c1cccnc1 122158345 HGWLSYHCMMLJGX-AWEZNQCLSA-N 262.397 3.962 30 20 CHED C=C(C)CCc1noc(-c2ccc3ncsc3c2)n1 508616388 CRVJTLFXQAOKAE-UHFFFAOYSA-N 271.345 3.855 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)C[C@H](c2ccccc2)O1 70695012 QQOBHXPKMRUZKM-DNVCBOLYSA-N 292.382 3.520 30 20 CHED C=CCN(C)C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 413698376 GSCRLUYOTOAOBS-HIFRSBDPSA-N 292.810 3.804 30 20 CHED C=CCNC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 504479661 GHEBFUCGHJXZRL-UHFFFAOYSA-N 279.383 3.933 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@](C)(CC)C1 508938011 FTZNHYLHQZLXJN-INIZCTEOSA-N 276.428 3.604 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)s2)c(OC)c1 211708904 ZLLLSCRUDDAXFS-VURMDHGXSA-N 288.368 3.970 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1sc(C(C)(C)C)cc1C#N 411005449 FXOGKJYUFCDCMG-UWVGGRQHSA-N 276.405 3.902 30 20 CHED C=CCC[C@@H](O)CNC1(c2ccc(F)cc2)CCCC1 126968116 MKHSZJVRDGWLHE-MRXNPFEDSA-N 277.383 3.512 30 20 CHED Cc1ncsc1CNc1ccc(Cl)cc1C#N 71213205 CIHGSAGIUKYKEX-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=CCC1(C(=O)NC[C@@H](c2cccnc2)C(C)C)CCC1 189070464 IBCATNGZOAICCL-MRXNPFEDSA-N 286.419 3.684 30 20 CHED N#Cc1ccnc(SCc2cccc3cccnc23)c1 77908086 MGUCJSRZKBLVNK-UHFFFAOYSA-N 277.352 3.794 30 20 CHED Cc1ccccc1C(C)(C)CN[C@@H]1CCC[C@@H](C#N)C1 185806294 CMELGYGUAQKVCP-HZPDHXFCSA-N 270.420 3.945 30 20 CHED N#C[C@H](NC(=O)CCCC1CCCC1)c1ccccc1F 79988371 SOMFACLBGJGFQN-INIZCTEOSA-N 288.366 3.867 30 20 CHED CCCCCC[C@@](C)(CCC)C(=O)/N=C1/NCCS1 79336829 YNNFVDJMJPWKEV-OAHLLOKOSA-N 284.469 3.982 30 20 CHED CSCc1ccccc1NC(=O)c1cc(C#N)cs1 186113295 JLXFPQGCELDASI-UHFFFAOYSA-N 288.397 3.735 30 20 CHED Cc1cc(C)c2cccc(OCC3(C#N)CCC3)c2n1 418963045 MEJKVIZXZGMZFG-UHFFFAOYSA-N 266.344 3.924 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CC[C@@H](C)SC 412838749 KKYQZXRSQFSDRP-ZBFHGGJFSA-N 291.460 3.822 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]1COC 221018013 YTXJKQBGQFCCSZ-OAHLLOKOSA-N 269.429 3.765 30 20 CHED CC[C@@]1(C)CCCN(Cc2cccc(C#N)c2F)C1 340865558 FFMGVHIYJIXBIO-INIZCTEOSA-N 260.356 3.709 30 20 CHED CC1(C)CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 329506019 WTOCCBGQBTZIAS-HNNXBMFYSA-N 282.387 3.550 30 20 CHED N#Cc1c(NC(=O)CC2CCC2)cccc1OC(F)(F)F 411111729 KMCHBAIOVQBKLI-UHFFFAOYSA-N 298.264 3.586 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1sccc1C#N 459854760 HHBXCHVLVAKDEG-SNVBAGLBSA-N 250.367 3.631 30 20 CHED CCn1cc(CC(=O)O[C@@H](C)C(C)(C)C#N)c2ccccc21 130606638 VEJCQLSDZMCDPJ-ZDUSSCGKSA-N 298.386 3.685 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C#N)cs1 84116080 AGHVUOHTUMKJFP-DGCLKSJQSA-N 276.405 3.661 30 20 CHED N#Cc1cc(NC[C@H]2CCC3(CCCCC3)O2)ccc1F 228036792 XAGXZKFDBSKPRX-OAHLLOKOSA-N 288.366 3.991 30 20 CHED CC(C)[C@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N 613416941 XTZZJCAZNQWKQT-CQSZACIVSA-N 271.408 3.876 30 20 CHED C[C@H](Nc1ncc2c(c1C#N)CCC2)c1ccc(F)cc1F 425199973 JHSAPJIEKSCEDX-JTQLQIEISA-N 299.324 3.893 30 20 CHED C#Cc1cccc(Nc2nc(-c3cnoc3C)cs2)c1 194941395 ILIBQJMHHCTGDK-UHFFFAOYSA-N 281.340 3.831 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Cc1ccc(Cl)s1 193525610 TUGFJWDKNJWMNJ-UHFFFAOYSA-N 290.775 3.763 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(-c2ccccc2C)nn1C 193113103 MXEDWBVAZNBJLK-SFHVURJKSA-N 297.402 3.936 30 20 CHED C#CCCCC(=O)Nc1ccccc1S[C@@H](C)CC#N 192294255 GYPIEGKKPKKKGK-ZDUSSCGKSA-N 286.400 3.823 30 20 CHED CCCc1ccccc1NC(=O)NCc1ccc(C#N)s1 421080836 MACYFKDDMGBTTE-UHFFFAOYSA-N 299.399 3.894 30 20 CHED C=C(C)CSc1nnc([C@@H](CC)N(C)C)n1CCCC 44172494 NIBOFIYNHMXWDO-CYBMUJFWSA-N 296.484 3.759 30 20 CHED N#Cc1ccc(COc2ccc3c(c2)CCCC3=O)c(F)c1 194483876 IBMVYOVHYPVYAF-UHFFFAOYSA-N 295.313 3.795 30 20 CHED N#CCSCCCN[C@H]1CCC[C@@H]1Cc1ccccc1 191367277 MYMHSXAAJPHGGF-SJORKVTESA-N 288.460 3.634 30 20 CHED Cc1cnc(/C(O)=N/[C@@H]2CCCCC23CCCC3)cn1 329626626 OYNQYODKLHLKJP-CQSZACIVSA-N 273.380 3.593 30 20 CHED C=CCCCCCn1nc(C)c([C@H](C)C(=O)OC)c1C 195393092 SSVLYIOPSGDZRL-LBPRGKRZSA-N 278.396 3.523 30 20 CHED Cc1nnc(NCC[C@H]2CCCC[C@@H]2C)c(C#N)c1C 511737272 DAPDAXSSXSUMNV-SMDDNHRTSA-N 272.396 3.593 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(OCC)cc1 429919035 CETFMSOUMWKGID-UHFFFAOYSA-N 275.392 3.646 30 20 CHED COc1cc(CNc2ccccc2O[C@H](C)C#N)ccc1C 194412722 DVOVBVJWWVXQAG-CQSZACIVSA-N 296.370 3.907 30 20 CHED Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)OCCCC#N 194074250 MQHOKMIELYBKEB-AWEZNQCLSA-N 289.375 3.733 30 20 CHED CCS[C@H]1CCC[C@H]1NCCCC(C)(C)C#N 233842216 YBZBFNCSGWFFRC-OLZOCXBDSA-N 254.443 3.580 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 420507769 YMYJANBISWBYPS-UONOGXRCSA-N 299.330 3.758 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1ccsc1 234272923 HHQDUQGDZOYXIH-UHFFFAOYSA-N 250.411 3.900 30 20 CHED C=CC[C@@H](C)NC(=O)c1c[nH]cc1-c1ccccc1F 426876707 VTGATHQHPIYVSN-LLVKDONJSA-N 272.323 3.515 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@@H](OCC)C1CCCC1 424697800 BLOFNMLDQHRPCD-OAHLLOKOSA-N 281.440 3.690 30 20 CHED CCC1CCC(C/N=C(/O)c2scnc2COC)CC1 330462121 AYHSAIIXCGCSCY-UHFFFAOYSA-N 296.436 3.811 30 20 CHED CN(CC#Cc1ccc(Cl)cc1)CCC(F)(F)F 426397590 ULBYUAGYSOSVPB-UHFFFAOYSA-N 275.701 3.576 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)NCC1(CC#N)CC1 338436171 HHURKAXNMOKQFV-LBPRGKRZSA-N 262.784 3.554 30 20 CHED C#CCOc1ccc(CN(C)[C@H](C)c2cccc(O)c2)cc1 93315846 QFPGRNOQVBKPGC-OAHLLOKOSA-N 295.382 3.597 30 20 CHED N#CC1(CCn2ccc(=O)c3sccc32)CCCCC1 334956429 LYSRIZJGKQEHNT-UHFFFAOYSA-N 286.400 3.927 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)[C@@H](C)C#N)c2)o1 335728206 LHSRWLNFUJYMPS-NSHDSACASA-N 268.316 3.662 30 20 CHED O=C(/C=C\c1cccc2c1OCO2)c1cccc(Cl)c1 97147182 YMEANYUHWRSKDX-FPLPWBNLSA-N 286.714 3.965 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1cc(F)cc(F)c1 330755111 FZSIEIAWCQXVCE-CQSZACIVSA-N 266.291 3.598 30 20 CHED Cc1cc(C)c(C(=O)N2CCC(CCC#N)CC2)c(C)c1 335384805 NDKNRNKSZUATGV-UHFFFAOYSA-N 284.403 3.768 30 20 CHED C=CCC[C@H](NC(=O)c1[nH]ccc1C)c1ccccc1 436144873 FBACETVLLLELPO-HNNXBMFYSA-N 268.360 3.760 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1csc(C2CCCCC2)n1 518337231 JDABHESLCGOCPQ-HNNXBMFYSA-N 291.420 3.613 30 20 CHED Cc1ccc(-c2csc(NC(=O)[C@H](C)C#N)n2)c(C)c1 336562203 MJHZUVPXDHEGMQ-LLVKDONJSA-N 285.372 3.525 30 20 CHED CN(Cc1cccc2ccccc12)c1cnccc1C#N 339012783 DQUNCKDRDKJTAH-UHFFFAOYSA-N 273.339 3.743 30 20 CHED CC(C)CC[C@H](C)/N=C(/O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 330525436 VHWUBEIOQKNJNW-RRFJBIMHSA-N 298.471 3.908 30 20 CHED C=CCCS[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 523521766 BWORRCHNPLZOSD-AAVRWANBSA-N 269.454 3.625 30 20 CHED CCC[C@@H](C#N)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94543958 IAVGUWLAMMABFT-UWUYSDQOSA-N 288.435 3.791 30 20 CHED Cc1c(Cl)cnc(NCC(C)(C)CCC#N)c1C#N 340940641 PDKYYSUMRPFWEG-UHFFFAOYSA-N 276.771 3.657 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2ccc(F)cc2C#N)C1 248552868 KYMKQMMHFOIQJQ-GDNZZTSVSA-N 274.339 3.708 30 20 CHED CCN(Cc1c[nH]c2ccccc12)C[C@H](C)CCC#N 602625026 CPCGEKMXJMGQCR-CQSZACIVSA-N 269.392 3.930 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CC[C@@H](CC)O2)CCCC1(C)C 347474689 WPBRDSNKOVSZGK-KFWWJZLASA-N 279.424 3.537 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N[C@@H]1CCC[C@@H]1F 436729768 SVCREQFJACFAEI-WCQYABFASA-N 291.276 3.687 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 609043139 ZLMPQDVCODPYHE-IRXDYDNUSA-N 299.418 3.716 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(SCC)c1 435726451 PPXYBMMKPSLHSX-WBVHZDCISA-N 291.460 3.869 30 20 CHED COc1ccc([C@@H]2CCCC[C@H]2NCCCC#N)cc1F 346827337 JCUKXUVCLGJCKH-GOEBONIOSA-N 290.382 3.754 30 20 CHED C[C@@H](CCC#N)CN1CCSC[C@H]1c1ccccc1 602440929 JQYQCDZRWLFVCW-HOCLYGCPSA-N 274.433 3.716 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2ccccn2)c(Cl)c1 527127568 CFWMJUUODDCMSA-QGZVFWFLSA-N 297.789 3.944 30 20 CHED COc1ccc(OC)c(C(C)=NNc2ccccc2)c1 254379250 NXEVRHKSFYWPOO-UHFFFAOYSA-N 270.332 3.540 30 20 CHED C=CCC[C@H](C)NC1CCC2(CCOCC2)CC1 349514982 LGEXOVCYSFARHM-AWEZNQCLSA-N 251.414 3.670 30 20 CHED CCOc1cccc(N=Cc2cccc(OC)c2O)c1 255636306 FLDJDEBSRWOGHB-UHFFFAOYSA-N 271.316 3.550 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@H]1C 252924328 LBLFGPQQAPTWCJ-NWDGAFQWSA-N 262.784 3.690 30 20 CHED CSc1ccc(CN(C)Cc2ccc(C#N)cc2)s1 520297124 KLONKAQRAUEEFK-UHFFFAOYSA-N 288.441 3.974 30 20 CHED C=C(C)CN(CC)Cc1ncc(C(C)(C)C)s1 448225592 WMDSFFSDYJTSJM-UHFFFAOYSA-N 252.427 3.839 30 20 CHED Cc1cnc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 357301057 BWSLFHFGWZJBNO-JKSUJKDBSA-N 297.427 3.723 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1CC1(CC#N)CC1 602777286 CZGAJLAXAQIENT-GDBMZVCRSA-N 254.377 3.558 30 20 CHED CCOc1ccc(O)c(C=Nc2ccccc2OC)c1 255675111 NTMBUUUPYOFJBW-UHFFFAOYSA-N 271.316 3.550 30 20 CHED C=CCn1c(C(C)C)nnc1N(Cc1ccccc1)C1CC1 350751538 FMVOIPGCJJPAAB-UHFFFAOYSA-N 296.418 3.757 30 20 CHED C=CCCCCCSc1nnc(N2CCCC2)s1 447305502 MAJUTIWOTAHCBV-UHFFFAOYSA-N 283.466 3.977 30 20 CHED CCOC(=O)c1cccc(S[C@@H](C)CCC#N)c1 357109047 VCVXKAWBZWXYIY-NSHDSACASA-N 263.362 3.648 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@H](C(C)C)C1)C1CC1 539010640 ISJGFXWIBOKASE-KBPBESRZSA-N 264.413 3.561 30 20 CHED C=CC[C@H](C)NC(=O)c1ccnc(Oc2ccccc2)c1 604880182 AEYMSJWZUDSWNE-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED C=CC[C@@H](C)NC(=O)c1oc2c(F)cccc2c1C 604880334 YBKLTNVBGMZBGN-SECBINFHSA-N 261.296 3.575 30 20 CHED COc1ccc(CN2CC=C(C(C)(C)C)CC2)cc1C#N 533928553 RVJILQJEHWFDHZ-UHFFFAOYSA-N 284.403 3.745 30 20 CHED CC[C@@H](C)CN(C)C(=O)C[C@@H](CC#N)c1ccccc1 355978579 CQRQPRMOZBRBHW-GDBMZVCRSA-N 272.392 3.578 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@@H]1CCCC)C1CC1 536797349 NKFNALXEMVVYAG-DZGCQCFKSA-N 264.413 3.705 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CC(C)(C)C1CCCCC1 355676119 UYRNYTIYFMHHKM-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED CC(C)=CCC/C(C)=C\C=Nn1c(C)cc(C)c(C#N)c1=O 263627920 YJYWOHJALRTAEQ-NQFPQZCKSA-N 297.402 3.863 30 20 CHED C=CCCO[C@@H](C)c1nc([C@@H]2CCc3ccccc32)no1 356658762 ZRXNQYIQCAALMV-SWLSCSKDSA-N 284.359 3.801 30 20 CHED C=CCC1(NC(=O)Cc2ccc(C)c(OC)c2)CCCC1 619113723 GRDDAWGQSOPPKV-UHFFFAOYSA-N 287.403 3.551 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(-c2nc(C)cs2)c1 351838506 QZKDMNHBPBGVAG-MRXNPFEDSA-N 299.399 3.997 30 20 CHED C=CCC[C@H](CO)N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 449699406 QNAIGCWQUPKSSO-FVCCEPFGSA-N 299.867 3.810 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C(C)C)oc1C 355541390 BCQUZKCKFMCAJT-ZDUSSCGKSA-N 261.365 3.892 30 20 CHED CC[C@H](C)[C@H]1CCCCN1Cc1ccccc1C#N 610001857 HHJRGMJALQSTGC-WMLDXEAASA-N 256.393 3.959 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccccc1OC 353415899 KTEDOHYZEQFRMW-UHFFFAOYSA-N 274.408 3.847 30 20 CHED N#CC1(N(C(=O)CCCc2cccs2)C2CC2)CCC1 357432309 DVRQEDAWMQNZDL-UHFFFAOYSA-N 288.416 3.508 30 20 CHED C=CCCSCC(=O)Nc1ccc(OC)c(Cl)c1 265730748 AVNFBSHEHQGYRC-UHFFFAOYSA-N 285.796 3.596 30 20 CHED C[C@@H]1CC[C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 358022111 FLABQMQAEWYRJA-BFYDXBDKSA-N 284.403 3.626 30 20 CHED C=CCC[C@H](NC[C@@H](OC)C(C)C)c1ccco1 353521549 PZWYOKONJDDNGE-DZGCQCFKSA-N 251.370 3.548 30 20 CHED C[C@]1(C#N)CCCN(C(=O)NCCCC2CCCCC2)C1 612109451 KSOOMZBSDLNTBM-QGZVFWFLSA-N 291.439 3.682 30 20 CHED CC(C)(C#N)CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 611688527 UXWFGMYIJQOVNB-IRXDYDNUSA-N 292.382 3.609 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2cc(C#N)ccc2C)C1 530604302 SZRFYKHLRGMPSG-ZFWWWQNUSA-N 285.391 3.957 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](CC)OC1CCCCC1 538334249 SBXCHRHUXVZQRO-GDBMZVCRSA-N 281.440 3.975 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cnc(C#N)c(Cl)c1 455782945 KOHBVZWOHNFRMY-VHSXEESVSA-N 294.786 3.553 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CC#N)c(Cl)c1C 457996835 UAWHYCIPPNZLGZ-UHFFFAOYSA-N 278.783 3.627 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCN(C2CCCCC2)C1 538334271 SQQVHISVZTVPCJ-CVEARBPZSA-N 292.467 3.502 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H]1OCCc2ccccc21 610278515 UWLWPJCCQMKZMT-INIZCTEOSA-N 298.773 3.938 30 20 CHED CC(C)[C@@H](C#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 266920801 LCMPJNYEUOUHEE-TVQRCGJNSA-N 299.201 3.761 30 20 CHED C[C@]1(C#N)CCCN(c2ccnc3cc(F)ccc23)C1 612107870 USXPBTPSKNWZNU-MRXNPFEDSA-N 269.323 3.504 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)NCC(C)(C)CC#N 459732720 PEQIJLOKKSDOSC-LBPRGKRZSA-N 264.800 3.800 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(COC(C)C)cc1 452779640 UTAGYCMXWCWBDN-UHFFFAOYSA-N 275.392 3.554 30 20 CHED CO[C@@H]1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1(C)C 360649024 SZEKEQHGLDHXQS-OKZBNKHCSA-N 298.430 3.729 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1cc2occc2s1 613371870 TWMVRAXGEQPJLM-UHFFFAOYSA-N 298.323 3.627 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(-c2nc(C)co2)c1 454939772 BLLQBHTXVLDBRE-UHFFFAOYSA-N 285.347 3.738 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1ccc(F)cc1F 272016662 LUIOITWMHNZBBF-SNVBAGLBSA-N 252.308 3.555 30 20 CHED C=CCC[C@@H](NCC1(C#N)CCC1)c1ccccc1 450675239 BLMCUNDNRHEUAQ-MRXNPFEDSA-N 254.377 3.977 30 20 CHED N#CCCCN1CC2(CCCC2)[C@@H]1c1ccccc1 459587583 WLPTZFRTBSJPQU-INIZCTEOSA-N 254.377 3.907 30 20 CHED C=CCC1(C(=O)NCCC2(COC)CCC2)CCCCC1 452142598 XGADZZSCVLZNTN-UHFFFAOYSA-N 293.451 3.836 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCO[C@H](C)C2)cc1Cl 271266538 NNMSGVKFWGPPPX-TZMCWYRMSA-N 295.810 3.562 30 20 CHED C=CCOCCSc1cc(C)c2ccccc2n1 554971452 NLSBAGBWTPSCIC-UHFFFAOYSA-N 259.374 3.838 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CC[C@@H](C)C2)c1 455948800 CEFPCEWROGRUKB-ABAIWWIYSA-N 271.364 3.519 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCc2c(C)cccc21 546028527 OPUNPSOQGRBVIT-MRXNPFEDSA-N 272.392 3.638 30 20 CHED C=CCCN(C)C(=O)c1sc(-c2cccs2)nc1C 276429831 RHSJCDAPQKTDGY-UHFFFAOYSA-N 292.429 3.828 30 20 CHED C[C@@H](C#N)CN(C(=O)Cc1cc2ccccc2s1)C1CC1 450350760 SCGSFXBESSTNGT-LBPRGKRZSA-N 298.411 3.594 30 20 CHED Cc1cc(F)cc2c(NC3CC(F)(F)C3)c(C#N)cnc12 276964185 CYVSOQGIFUNOCT-UHFFFAOYSA-N 291.276 3.764 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(CC#N)cc1 270318265 JNZQYUJPCIDMFU-XOKHGSTOSA-N 282.387 3.546 30 20 CHED N#CC1(C(=O)NCc2ccc(C3CCC3)cc2)CCCC1 277662625 WMASODFNTURAQS-UHFFFAOYSA-N 282.387 3.654 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(C)c(C)c1 548770410 XBXZXCUYBYFUEU-UHFFFAOYSA-N 259.393 3.564 30 20 CHED Cc1cccc(C)c1OC[C@H](N[C@H](C)C#N)C(C)(C)C 464793568 SLYRTRXLVNIABR-CABCVRRESA-N 274.408 3.599 30 20 CHED C=CCOCCN(C)[C@@H](c1ccc(F)cc1)C(C)C 559186614 GKSMIOOLMUDIQY-MRXNPFEDSA-N 265.372 3.657 30 20 CHED CC(C)(C)CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 372638997 IAIWWWCIGANICD-HOTGVXAUSA-N 284.403 3.721 30 20 CHED C[C@](C#N)(NC(=O)c1ccc(F)cc1F)C1CCCCC1 557901346 ZACBOWQHZGXQHN-MRXNPFEDSA-N 292.329 3.557 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(C#N)oc2C)CCCC1(C)C 281082193 PCUDHDZQGLNTMB-HNNXBMFYSA-N 286.375 3.667 30 20 CHED C=C(C)[C@@H](NCc1cncc(F)c1)c1ccc(F)c(F)c1 558117121 SETNJFMCXSESTI-MRXNPFEDSA-N 292.304 3.906 30 20 CHED C=C1CCN(C(=O)c2cccc(C3CCC3)c2)CC1 281211208 JRTKNNXNLPAMGM-UHFFFAOYSA-N 255.361 3.746 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C 466276806 TTZFIXBZLYNSJW-GJZGRUSLSA-N 299.414 3.723 30 20 CHED C#CC[C@H](N[C@@H]1CCC[C@H]1CCOC)c1ccccc1 282355770 VXOMDMWMRCNZOD-OKZBNKHCSA-N 271.404 3.546 30 20 CHED C[C@H]1CCCC[C@H]1OCCNc1ccc(F)cc1C#N 462790724 MPSBSIBHNVJAQP-BLLLJJGKSA-N 276.355 3.705 30 20 CHED C=CCC[C@H](NC[C@@H]1CCOC[C@H]1C)c1ccco1 287723180 YBMVIFMQOMZWIY-ILXRZTDVSA-N 263.381 3.549 30 20 CHED C#CCCCCN[C@@H](CCCOC)c1ccc(F)cc1 282152476 CUKWYKPSHKWWFI-KRWDZBQOSA-N 277.383 3.687 30 20 CHED CCN(Cc1cnccc1OC)[C@H](C)c1ccc(C#N)cc1 287388915 REHBDCTUOISEAD-CQSZACIVSA-N 295.386 3.545 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ncc(Cl)cc1Cl 557663103 QQVUWLDCKFEQKP-JOYOIKCWSA-N 287.190 3.782 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(C)(C)C1 559006256 LDEYVBULPYYJAH-UHFFFAOYSA-N 288.439 3.748 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1C 807990733 LXELXCYEDFVJBV-GFCCVEGCSA-N 291.351 3.508 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(F)F)cc2)no1 806556367 RVZIYVSZMJWJQV-QPJJXVBHSA-N 263.243 3.817 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccoc2C(C)C)cc1 290164822 KBUYOAVOUORMAU-MRXNPFEDSA-N 296.370 3.960 30 20 CHED CC(C)c1cccc(CNC(=O)c2cccc(CC#N)c2)c1 479165565 OMBKTNFHBILQLI-UHFFFAOYSA-N 292.382 3.806 30 20 CHED C#Cc1ccc(CNCCc2ccc(SC)cc2)cc1 809659860 GTEHHTOZIZSOIY-UHFFFAOYSA-N 281.424 3.722 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@]1(C#N)CC12CCCC2 298830159 ZWWVULNDMISBTM-SFHVURJKSA-N 294.354 3.500 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C(C)(C)C 807879670 ZMFNYNDKAHVGES-CHWSQXEVSA-N 251.414 3.613 30 20 CHED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](CO)C(C)C 476787478 KBNZPLBMHYJREW-MRXNPFEDSA-N 289.419 3.742 30 20 CHED C=C(C)CCOC(=O)c1c(C(F)(F)F)ccnc1Cl 803446714 MBVKWPHPWACFKJ-UHFFFAOYSA-N 293.672 3.877 30 20 CHED C=CCOCCCSCc1ncc(C(C)(C)C)o1 479609304 GRNORMVPEOVXQF-UHFFFAOYSA-N 269.410 3.798 30 20 CHED C#C[C@@H](NCc1c(C)nn(-c2ccccc2)c1C)C(C)(C)C 809781490 SSFKHCBTBBGTAI-GOSISDBHSA-N 295.430 3.627 30 20 CHED N#Cc1ccc(NC(=O)/C=C/c2ccccc2)c(Cl)c1 700840490 FWNVFOFJMZIZER-VQHVLOKHSA-N 282.730 3.864 30 20 CHED CCC(=O)c1ccc(OC(=O)CCCCCC#N)cc1 805847478 CGYMQWXDRBMQDF-UHFFFAOYSA-N 273.332 3.659 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(C(F)(F)F)c(C)c1 806313397 PZEXKZSKRCZSIQ-SNVBAGLBSA-N 284.281 3.547 30 20 CHED C=CCCCCCCNC(=O)NCC1CCSCC1 806003602 MSCZOKVMJRDYNV-UHFFFAOYSA-N 284.469 3.565 30 20 CHED C#C[C@H](NC(=O)C(C)(C)c1ccc(Cl)cc1)C(C)(C)C 807879068 MONNZVHTVSQBPM-AWEZNQCLSA-N 291.822 3.782 30 20 CHED CCCCCCCCC(=O)N1C[C@H](N2CCCC2)C[C@@H]1C 804523865 DDEXGKYAXHQVBV-DLBZAZTESA-N 294.483 3.822 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(C(C)(C)C)c1O 488904840 ZXUPQQMHJKCWPB-UHFFFAOYSA-N 298.386 3.930 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 815132839 AFLYJVAYQPSHCC-UHFFFAOYSA-N 297.198 3.994 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC(C)(CC(C)C)CC1 567656835 RWORXAJYGWGCHH-OAHLLOKOSA-N 281.440 3.642 30 20 CHED CC[C@@](C)(C#N)C(=O)OC[C@H](C)C1CCCCC1 815244534 GNYQDYHRDFJITF-WFASDCNBSA-N 251.370 3.686 30 20 CHED Oc1ccccc1/C=N\Cc1ccc(OC(F)(F)F)cc1 812415738 MHAIPADFCGGFHO-GRSHGNNSSA-N 295.260 3.910 30 20 CHED C=CCCCCOC(=O)[C@@H]1CCC(=O)c2ccccc21 811008884 NMJWUIIYXUVEPT-OAHLLOKOSA-N 272.344 3.646 30 20 CHED C[C@H](C=NNc1cc(Cl)nc(Cl)c1)CCC#N 819828921 UYGHCTWOERPHML-QMMMGPOBSA-N 271.151 3.726 30 20 CHED N#Cc1cc(Cl)cc(OCC#Cc2ccc(F)cc2)c1 487327487 RPGJVZQLZIUIRI-UHFFFAOYSA-N 285.705 3.781 30 20 CHED CCCOc1cc(/C=C/c2ncccc2C#N)ccc1OC 486100729 CEWSVRGWPRKVSI-SOFGYWHQSA-N 294.354 3.921 30 20 CHED C=CCCCCCCCNC(=O)N1CC(C(C)C)C1 812492953 RHXPKZVLNPLSEX-UHFFFAOYSA-N 266.429 3.810 30 20 CHED CC(CSc1ccccc1[N+](=O)[O-])=NOCCC1CC1 814246511 PQDQFCNQPPSQEG-UHFFFAOYSA-N 294.376 3.880 30 20 CHED N#Cc1ccc(N[C@@H]2CCN(c3ccccc3F)C2)c(F)c1 488776792 APJRLYQEOSZIHL-CYBMUJFWSA-N 299.324 3.527 30 20 CHED C=CCC(F)(F)C(=O)Nc1scnc1-c1ccccc1 815344694 VAFZMDBBVSLCAQ-UHFFFAOYSA-N 294.326 3.960 30 20 CHED C=CCN(C(=O)Nc1nc2c(s1)CCC2(C)C)C(C)C 817320770 LCHJDESMKNWDNZ-UHFFFAOYSA-N 293.436 3.795 30 20 CHED C(=NOC1CCOCC1)c1ccc(C2CCCC2)cc1 812230435 UOEZISUQUOCUAU-UHFFFAOYSA-N 273.376 3.874 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1cccc(O)c1Cl 814916532 BLIOZPKZEPPQLT-ZDUSSCGKSA-N 280.799 3.938 30 20 CHED CC(C)c1nccnc1NN=C1CCCc2sccc21 814917393 UWBSQSAESWHYGU-UHFFFAOYSA-N 286.404 3.814 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC(C(C)C)CC1 578146231 HINYESVXWLIXRJ-UHFFFAOYSA-N 288.439 3.604 30 20 CHED CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(N)nc2)cc1 821028736 VWNABOYSZZOMPZ-ONNFQVAWSA-N 280.371 3.857 30 20 CHED C=CCC1(NCc2ccc(Cl)cc2F)CCOCC1 657633097 GNLINWVPZQLGBU-UHFFFAOYSA-N 283.774 3.694 30 20 CHED N#C[C@H]1CC[C@@H](N=c2ccc3cc(F)cc(Cl)c3[nH]2)C1 579946547 PFNVWAJKENEOPY-JOYOIKCWSA-N 289.741 3.553 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(C2CCCCCC2)no1 575312127 DSRCSDPRQPPJGJ-ZIAGYGMSSA-N 276.380 3.956 30 20 CHED N#Cc1ccc(OCc2cccc(OC(F)F)c2)cc1 496057655 ZPGAKPDABINGSS-UHFFFAOYSA-N 275.254 3.739 30 20 CHED N#Cc1cncc(N[C@@H](CC2CCC2)c2ccccc2)n1 571273951 NDNMVPLFYLFUOY-INIZCTEOSA-N 278.359 3.692 30 20 CHED C=CCOCCCN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 577405200 FLJCFGJMTMFPIH-BETUJISGSA-N 279.346 3.632 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)Cc1cnc2ccc(C#N)cn12 575028027 OHIIDBGXNLXDKR-RDJZCZTQSA-N 296.418 3.607 30 20 CHED CC#CCCCc1nc(-c2ccnc(O[C@@H](C)CC)c2)no1 577541370 BZHDNUOGUISWSA-ZDUSSCGKSA-N 299.374 3.655 30 20 CHED C=C(C)C(C)(C)C(=O)OCC(=O)CC(C)(C)C1CC1 821452235 RQOTUUBSCOAROJ-UHFFFAOYSA-N 266.381 3.527 30 20 CHED C[C@@]1(COc2cccc(F)c2C#N)CC1(Cl)Cl 829376418 IVWDQNAENLYSMC-NSHDSACASA-N 274.122 3.660 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2c(c1)CCCC2=O 497938307 OLKFYMHTMCZVGX-CYBMUJFWSA-N 285.387 3.680 30 20 CHED N#Cc1ccc(-c2cncc([C@@H]3CCCN3)c2)cc1Cl 906165541 RQVFYZIZMHNQJR-INIZCTEOSA-N 283.762 3.698 30 20 CHED C=CCCC[C@H](N)c1nc(-c2cc(C)cc(F)c2)no1 904544947 AQSROFPSSLMFFQ-ZDUSSCGKSA-N 275.327 3.540 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1c(C)noc1C1CC1 666700708 SHXNOZPJADQKSD-UHFFFAOYSA-N 277.368 3.727 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)C(C)(C)C 734709795 ZVBNQLCBGZOGEI-GHMZBOCLSA-N 270.332 3.686 30 20 CHED N#Cc1cc(-c2ccccc2CC2(C(=O)O)CC2)cs1 583094223 KIAXKDGZRIJIIH-UHFFFAOYSA-N 283.352 3.694 30 20 CHED C#Cc1cncc(C(=O)N(CCC)c2ccc(CC)cc2)c1 836850456 GXGYYMYMTXAQDE-UHFFFAOYSA-N 292.382 3.682 30 20 CHED C=CCC[C@@H](OC(=O)c1coc2c1C(=O)CCC2)C1CC1 835243504 NQSIODNWRFDNOI-CQSZACIVSA-N 288.343 3.700 30 20 CHED CC[C@H](NCCc1ccc(C)nc1)c1cccc(C#N)c1 902800596 QGIPOHNXFRXSKL-SFHVURJKSA-N 279.387 3.545 30 20 CHED CCCCC[C@@H](NC(=O)c1ccc(C#N)cn1)C(C)(C)C 734344702 BMSUWSBPNHTOGY-OAHLLOKOSA-N 287.407 3.678 30 20 CHED CO[C@H]1CC(=NNc2ccc3ccccc3n2)C12CCC2 834917530 JYCGKMBBMLOLDR-HNNXBMFYSA-N 281.359 3.592 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 909297138 LAXTYTCTSZEBHM-UHFFFAOYSA-N 289.375 3.590 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(C)c3c2CCC3)n1 583423305 AWSYHXDNRFEDIU-OAHLLOKOSA-N 296.395 3.739 30 20 CHED CC1(C#N)CCC(=NNCc2cc(F)ccc2F)CC1 834962028 UAWYEYNRKYXJNM-UHFFFAOYSA-N 277.318 3.514 30 20 CHED C=CCCC[C@@H](NC[C@@H]1CCCC(C)(C)C1)C(=O)O 900068269 DBRPFUZRSYBIPG-ZIAGYGMSSA-N 267.413 3.602 30 20 CHED C#CC(C)(C)NC(=O)c1cc2c(Cl)cccc2s1 733976535 GFFMRSYJKHLBOI-UHFFFAOYSA-N 277.776 3.696 30 20 CHED C=CCN(CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C 839466437 AEUUEVRUBSMFJJ-OAHLLOKOSA-N 296.455 3.530 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 675488942 BHHDCXFLYFJKQZ-IRXDYDNUSA-N 298.430 3.674 30 20 CHED C=CCOCCN(CCc1ccccc1)c1ccc(O)cc1 580099349 BVNAFRKGGKAFKT-UHFFFAOYSA-N 297.398 3.644 30 20 CHED CC[C@@H](NC[C@@H](O)c1ccc(C)cc1)c1cccc(C#N)c1 902758961 MAAFWLQCYLXRQK-RTBURBONSA-N 294.398 3.641 30 20 CHED CC/C(C)=C\C(=O)Nc1sc2c(c1C#N)CCCC2 839214546 WAOVKYGLAUUNEO-NTMALXAHSA-N 274.389 3.793 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](C)CCC2CCCCC2)nc1 734344815 SFDUMGYPLXAPNJ-AWEZNQCLSA-N 284.403 3.542 30 20 CHED N#C[C@@H](OC(=O)c1cccc2ccncc12)C1CCCCC1 830109081 DVMRVMIEZQNYEN-QGZVFWFLSA-N 294.354 3.864 30 20 CHED CCC[C@@](C)(CC)C(=O)NCC(C)(C)CCC#N 583044754 XSDBCCFHTXYIIW-OAHLLOKOSA-N 252.402 3.649 30 20 CHED C=C(CC)CNC(=O)N1CC=C(c2ccc(C)cc2)CC1 836653082 FTXOWJMNRDLJJZ-UHFFFAOYSA-N 284.403 3.760 30 20 CHED C=C(CNC1CCC(O)(C(F)(F)F)CC1)c1ccccc1 675784071 UGDCUFNLOJMSNU-UHFFFAOYSA-N 299.336 3.525 30 20 CHED C=Cc1ccc(C(=O)OCC(C)(C)CCC#N)cc1 835387565 WCHUFNLUGJUWNB-UHFFFAOYSA-N 257.333 3.816 30 20 CHED C=CCCCOC(=O)C(C)(C)Cc1ccccc1OC 735535651 JTIIYNHYEUUPHG-UHFFFAOYSA-N 276.376 3.773 30 20 CHED C=CCN(C(=S)N[C@H](C)c1ccccc1)C(C)C 917589459 ZZITUOWZFVRNQP-CYBMUJFWSA-N 262.422 3.519 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)C(C#N)(CC)CC 599305223 WKHMBMBKEXWPTP-INIZCTEOSA-N 286.419 3.844 30 20 CHED CS[C@@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 915275425 LCQKKUKDJOLVOQ-LBPRGKRZSA-N 297.379 3.882 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1cccc(C)c1)Cc1ccco1 593400716 URJJSPKQKZWAKA-MRXNPFEDSA-N 296.370 3.667 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593989285 MTBBNGVPPKTXDS-QAPCUYQASA-N 298.430 3.631 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)[C@H](C)C#N 598559759 ZBUHHZNRVKTVFL-ZIAGYGMSSA-N 252.402 3.601 30 20 CHED COc1ccc(CNC[C@H](C)C2CCCCC2)cc1C#N 742369290 RWUNYOGYWSYOPZ-AWEZNQCLSA-N 286.419 3.873 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1F)c1ccsc1 590777869 IJZNAESYUJCYLW-HNNXBMFYSA-N 274.364 4.000 30 20 CHED COc1ccc(CCCN(C)[C@H](C#N)c2ccccc2)cc1 595295643 NQVQQGHTOMVWFX-LJQANCHMSA-N 294.398 3.824 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCc2ccccc2C#N)c1 740348492 NGEJZUOFFRFMOQ-CQSZACIVSA-N 279.339 3.714 30 20 CHED C=C(CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 672482313 FBAXJKQQOKOTBV-BHYGNILZSA-N 269.388 3.642 30 20 CHED CC(=NNCc1ccc(C(F)(F)F)cc1)c1ccccn1 915972857 WIKNJEKJNIZOFL-UHFFFAOYSA-N 293.292 3.614 30 20 CHED CN(c1ccccc1)[C@H]1CCN(CCCCC(C)(C)C#N)C1 595829107 WIXRETCSSVCGMV-SFHVURJKSA-N 299.462 3.917 30 20 CHED C=CCCCCCN(C)C[C@H](O)c1ccc(C)cc1 743851212 ORRLKSHIOFYMBU-KRWDZBQOSA-N 261.409 3.707 30 20 CHED O=C1/C(=C\c2ccc(O)c(Cl)c2)Oc2ccc(F)cc21 749746633 NMHMFNUFTBKFQJ-MKMNVTDBSA-N 290.677 3.801 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccccc1C(C)C 848640048 HCCUJPQFBLSXBX-MDZDMXLPSA-N 268.360 3.748 30 20 CHED C=C(CNC(=O)C(C)(C)CC(C)C)c1ccccc1 673341569 AZBVGNBDBGJYPS-UHFFFAOYSA-N 259.393 3.888 30 20 CHED CN(CCCSCC#N)c1ccccc1Br 595895180 FBHDBXJYSKDQFD-UHFFFAOYSA-N 299.237 3.532 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)CCc2c(O)cccc21 749005286 JSANUMROQJRLKW-FLIBITNWSA-N 285.730 3.653 30 20 CHED C#CCCCC(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 843685784 XSOUNVNHAVXAJT-UHFFFAOYSA-N 296.248 3.589 30 20 CHED Cc1oc(C#N)cc1C(=O)N1c2ccccc2C(C)(C)[C@H]1C 598273522 FZDFGVZEYQUZNH-GFCCVEGCSA-N 294.354 3.786 30 20 CHED N#Cc1ccc(COC(=O)Cc2cccc(C3CC3)c2)cc1 840612018 XPPQONILJNUBBZ-UHFFFAOYSA-N 291.350 3.722 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C(/C)CCC 745063877 PJRXHDCTFWMLJE-PTNGSMBKSA-N 282.387 3.819 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(F)cccc1SCC 685700156 KIVZYKSIVRQMOK-UHFFFAOYSA-N 282.384 3.978 30 20 CHED CCCCCC[C@@H](C)NN=C(CC)[C@@H]1CCOC1 743450735 PAJLZDPKXLMFIS-ZIAGYGMSSA-N 254.418 3.737 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(C)cc1 742375968 KHMHZAUQYYCQEK-UHFFFAOYSA-N 269.319 3.758 30 20 CHED C=CCC[C@@H](CCC)NCc1nn(C)c2ccccc12 680635720 DLVZFTURKOETSQ-CQSZACIVSA-N 271.408 3.798 30 20 CHED CC(C)CN(CCC#N)C(=O)CCCC1CCCC1 742590562 SYNONONJOXPLNA-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C#Cc1cccc(N(CC)Cc2nc(CCC(C)C)no2)c1 744394499 CSPVVNZFOCZNLC-UHFFFAOYSA-N 297.402 3.666 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1oc2ccccc2c1C 747031640 DZUKXBJCXXLDTL-ZDUSSCGKSA-N 288.343 3.938 30 20 CHED CC[C@@H](N[C@@H](c1cnn(C)c1)C(C)C)c1cccc(C#N)c1 927066413 MZPSZSDZRBFMCO-QZTJIDSGSA-N 296.418 3.730 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@H]2CCC[C@H](C)C2)n1 598854839 VRJJPMSJFYEKIG-FZMZJTMJSA-N 285.391 3.725 30 20 CHED Fc1c(F)c(F)c(OCCC(F)(F)F)c(F)c1F 920071990 UDNYLQAQMYXSPI-UHFFFAOYSA-N 280.114 3.713 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCC[C@H]1CC1(Cl)Cl 926657120 MIQDBNMCESBSJB-QWRGUYRKSA-N 277.239 3.878 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc(Cl)s1 755816264 DIUHZXCHIZYFQG-LLVKDONJSA-N 259.758 3.669 30 20 CHED CCC/C(C)=C\C(=O)N(CC)c1ccc(C#N)cc1 753178475 RCIFAVXWQJWYTN-QBFSEMIESA-N 256.349 3.658 30 20 CHED CCCCCCCCCNC(=O)NCc1cc(C)on1 920235880 XGZQEIRNDIOJQD-UHFFFAOYSA-N 281.400 3.533 30 20 CHED COc1ccc(C=NN2CCCC[C@@H]2C)c(OC(F)F)c1 853379052 CLOKLWOPSJBMJE-NSHDSACASA-N 298.333 3.505 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccccc2cc1OC 684939610 SHMCXPGEAZVXMU-OAHLLOKOSA-N 283.371 3.933 30 20 CHED C=CCC(CC=C)C(=O)OCc1csc(CCC)n1 759008043 PPVJHNFJEXOKRO-UHFFFAOYSA-N 279.405 3.907 30 20 CHED CCCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1OC 858604725 NTYSHIFXCIYGPB-ZIAGYGMSSA-N 288.391 3.978 30 20 CHED C#CCN[C@H](c1ccccc1)c1cccc(Cl)c1 754298074 IVEANEOBLLLIKU-MRXNPFEDSA-N 255.748 3.652 30 20 CHED C=CCN(Cc1cccs1)C(=O)N(C)C(C)(C)CC 684900602 HAUDHGQKQDQBJE-UHFFFAOYSA-N 280.437 3.977 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)c1ccccc1 757579796 PNBDZUCNIPASGZ-KSSFIOAISA-N 295.357 3.810 30 20 CHED C#CC[C@@H](NC(=O)CCc1ccsc1)c1ccccc1 757581533 VRLWSJIXMHBGPM-MRXNPFEDSA-N 283.396 3.562 30 20 CHED N#Cc1cc(C(=O)OCCc2cccs2)ccc1Cl 754909003 PPKSHOIDRNJBRJ-UHFFFAOYSA-N 291.759 3.673 30 20 CHED CC[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N 758122361 RDRVIOOAEHDUKZ-QMMMGPOBSA-N 271.238 3.532 30 20 CHED C#CCCCc1nc(-c2ccccc2SCC)no1 858820983 QMDYBVQFSMAQKB-UHFFFAOYSA-N 272.373 3.805 30 20 CHED CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccoc1 755878990 CUUNKQJYQHYGTA-UHFFFAOYSA-N 293.779 3.644 30 20 CHED Clc1cccc(NN=Cc2nc(Cl)cs2)c1 758094743 RSZQRELZFYWLQF-UHFFFAOYSA-N 272.160 3.896 30 20 CHED COc1ccc(NN=C(C)c2ccc(N(C)C)cc2)cc1 750945330 FTEIVAYIVNUPQO-UHFFFAOYSA-N 283.375 3.597 30 20 CHED N#Cc1ccc(OCCCn2cnc(Cl)c2Cl)cc1 757705201 QZCZAWRBWUDVSJ-UHFFFAOYSA-N 296.157 3.531 30 20 CHED CC(C)Oc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1 921254017 QDBPILKVVXGFFN-UHFFFAOYSA-N 299.330 3.828 30 20 CHED CCCC[C@@](C)(F)C(=O)[C@H](C#N)c1nc2ccccc2o1 850781927 GMHGYGGWHZKARZ-MEDUHNTESA-N 288.322 3.922 30 20 CHED C#CCCCCNC(=O)Nc1cccc(O[C@H](C)CC)c1 758585154 POLWDOLWMYRFEU-CQSZACIVSA-N 288.391 3.789 30 20 CHED C=C(Br)CNC(=O)CC1CCC(C)(C)CC1 751731183 LOWKZHSLWNIGRF-UHFFFAOYSA-N 288.229 3.618 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CSc2ccccc21 851210448 VLVULECESDVUFV-WCQYABFASA-N 289.400 3.747 30 20 CHED C#CCCN(Cc1ccc(CC)cc1)CC(F)(F)F 767899204 HZDNZLKNZRUUNL-UHFFFAOYSA-N 269.310 3.637 30 20 CHED C=C1CCN(C(=O)Nc2nc(C3CCC3)cs2)CC1 931281695 WWGWBOPPYXXRNC-UHFFFAOYSA-N 277.393 3.595 30 20 CHED CC#CCCCC(=O)OCc1csc(CCCC)n1 767668215 XAUVPPFLAPYXOV-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C=CC[C@H](N[C@H](C)c1cccc(CO)c1)c1ccncc1 760161701 ZHPADKFWDNFCGD-KDOFPFPSSA-N 282.387 3.542 30 20 CHED Cn1ccc(C=NNc2c(Cl)cccc2Cl)c1 763177838 AHOASIWAROUEMX-UHFFFAOYSA-N 268.147 3.778 30 20 CHED N#Cc1ccc(CNN=C2CCC[C@@H](C3CC3)C2)cc1 769815109 NHWGLVHJMMTNHA-MRXNPFEDSA-N 267.376 3.604 30 20 CHED CCCn1cc(/C=C2\C(=O)c3ccccc3[C@H]2C(C)C)nn1 865224061 ONFIRUBHPZMWTH-LPPOOGIUSA-N 295.386 3.708 30 20 CHED C=CCCSCCN[C@H](c1ccccn1)C(C)C 866386771 JYAIUKUGGPHPLU-HNNXBMFYSA-N 264.438 3.678 30 20 CHED CCCCCCCOc1ccc2c(c1)CC(=O)N2C 766760391 ANZLOBSFFKIHGI-UHFFFAOYSA-N 261.365 3.555 30 20 CHED Cn1c(NN=CCCc2ccc(F)cc2)nc2ccccc21 1116956675 IKYVGEGXMLKDGM-UHFFFAOYSA-N 296.349 3.743 30 20 CHED C=CCCCOC(=O)c1cc(C)sc1Br 761241166 LGKYTMBLNKIRNZ-UHFFFAOYSA-N 289.194 3.942 30 20 CHED CC(C)C(CCc1ccccc1)=NNc1ncc(F)cn1 760246610 MRANFYCUWHVWDL-UHFFFAOYSA-N 286.354 3.672 30 20 CHED C=CCCCCNC(=S)Nc1ccc2c(c1)CCC2 769759770 FKEMDSCPIDTPIT-UHFFFAOYSA-N 274.433 3.818 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)CCc1ccccc1F 775778789 XSPKBEDMOWFVJJ-CQSZACIVSA-N 292.398 3.754 30 20 CHED O=C1/C(=C/c2nccc3ccccc23)Oc2cc(F)ccc21 773172502 NYNFALKJTXAZAY-YVLHZVERSA-N 291.281 3.990 30 20 CHED C[C@@H](OC1CCCCC1)C(=O)N(CCC#N)CC(C)(C)C 1116069354 YEFWVCGYDRFNLF-CQSZACIVSA-N 294.439 3.513 30 20 CHED COc1cccc(NN=C(C)CCc2ccc(F)cc2)n1 779819041 HCZRYLBXOYOCFQ-UHFFFAOYSA-N 287.338 3.650 30 20 CHED C[C@@H]1CC(=O)Oc2cc(OCc3ccc(C#N)s3)ccc21 1119535128 UKPDXFGLSACZCU-SNVBAGLBSA-N 299.351 3.611 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cc(C)c(O)c(C)c1 776189942 LXQRNEODOAAUBW-AATRIKPKSA-N 281.355 3.863 30 20 CHED N#CCc1ccc(COC(=O)/C=C/c2ccccc2F)cc1 776112924 BXXYOCOLDKRMDC-MDZDMXLPSA-N 295.313 3.648 30 20 CHED Cc1c(C(=O)OC[C@H](C)C#N)oc2ccc(Cl)cc12 770930124 OMRYTBKQWICYOP-MRVPVSSYSA-N 277.707 3.711 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](c2ccccc2C)C1 779896480 WDSWWUVLNKLCSV-KRWDZBQOSA-N 283.415 3.895 30 20 CHED CCc1nn(C)cc1/C=C1\C(=O)c2cccc3c2[C@H]1CCC3 770576567 ZSSGRCUUASJRNY-FBKCMUNRSA-N 292.382 3.682 30 20 CHED COC[C@@H](CC(C)C)Nc1ccc(OC(C)C)c(C#N)c1 776521467 PEJZFLURULSECI-MRXNPFEDSA-N 290.407 3.818 30 20 CHED C#CC[C@H](Nc1nnc(C(C)(C)CC)o1)c1ccccc1 882135595 AMPQTKBOEMGZEA-AWEZNQCLSA-N 283.375 3.934 30 20 CHED N#C[C@@H](OC(=O)Cc1ccc(F)c(F)c1)C1CCCCC1 776391590 HZOBWKUKKDNQOR-OAHLLOKOSA-N 293.313 3.523 30 20 CHED C=C1CCC(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)CC1 889256520 YOVYSCYOJCAWMI-LBPRGKRZSA-N 277.330 3.826 30 20 CHED N#Cc1ccc(CSC2=NCCS2)c(Cl)c1 783968520 LCFPXXJMGIUTAL-UHFFFAOYSA-N 268.794 3.548 30 20 CHED CCC(CC)NN=Cc1c(C)[nH]c2ccc(F)cc12 782225885 HDIGUNDFURKOSQ-UHFFFAOYSA-N 261.344 3.728 30 20 CHED COCC(=NNc1ccc(C#N)c(Cl)c1)C1CCCC1 780240998 KAHBYBSWEGKVJA-UHFFFAOYSA-N 291.782 3.816 30 20 CHED C=C[C@H](C(=O)N[C@H](C)c1nc(C)cs1)c1ccccc1 1123645874 VZVALDRIUASOPJ-OCCSQVGLSA-N 286.400 3.599 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)[C@]1(C)CCCO1 782238637 JLFPDRXVMZDNNJ-INIZCTEOSA-N 260.381 3.969 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 1124388804 MDWSOTFUVJQOFJ-CPUCHLNUSA-N 285.387 3.859 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1-c1ccncc1)C(C)(C)C 891480135 XCSMSCOUIQBCES-QGZVFWFLSA-N 292.382 3.526 30 20 CHED CCOc1cccc(/C=N/[C@@H]2C[C@H]2c2ccc(F)cc2)c1O 788320375 MJSPRFFCYARRLI-PWIMYCEHSA-N 299.345 3.905 30 20 CHED CCCCCCCCNC(=O)N[C@@H](C)c1cncc(F)c1 781940350 MJPVIGXHZPFAHS-ZDUSSCGKSA-N 295.402 3.941 30 20 CHED C=C1CCC(C(=O)O[C@H](C)c2cnccc2C)CC1 892922221 FOTASEREDDHXJH-CYBMUJFWSA-N 259.349 3.741 30 20 CHED CC/C=C(\C)C(=O)OCc1ccc(C#N)cc1Cl 784194259 LMVLFMRHHKXTOG-ONNFQVAWSA-N 263.724 3.611 30 20 CHED CCn1cc(/C=C2\CCc3c(F)cccc3C2=O)c(C)n1 899389536 MYKFEUREPAQKCP-FMIVXFBMSA-N 284.334 3.563 30 20 CHED CCCCCCCC(=O)Nc1c(Cl)c(C)nn1C 892136612 ZSXAOEXBQRSBES-UHFFFAOYSA-N 271.792 3.681 30 20 CHED Clc1ccc(NN=C2COCc3ccccc32)cc1 782096669 CRKGGTIKMBMKEO-UHFFFAOYSA-N 272.735 3.686 30 20 CHED C/C(=C/C1CCC(C)CC1)C(=O)N(CC#N)c1ccccn1 892472596 BMDCLMLJRCBFQE-SQFISAMPSA-N 297.402 3.711 30 20 CHED CCOCCC=NNc1cc(Cl)ccc1Cl 788434903 XUJYUWJZQIYRJN-UHFFFAOYSA-N 261.152 3.818 30 20 CHED CCCC[C@@H](CC)CNC(=O)Nc1sccc1C#N 1207287536 ULOSEZABCZERJL-LLVKDONJSA-N 279.409 3.958 30 20 CHED C[C@H]1CCc2c(F)cccc2C1=NNc1cccc(F)n1 795008180 XQLSMMSRIDFPSQ-JTQLQIEISA-N 287.313 3.758 30 20 CHED C=C1CC(c2noc([C@@H]3[C@@H]4Cc5ccccc5[C@H]43)n2)C1 896873846 HBAQGAFROURIPW-RBSFLKMASA-N 264.328 3.557 30 20 CHED COc1ccc(NN=C[C@@H]2C[C@H]2C)c(C(F)(F)F)c1 793110756 BNIBFEHHSDVVNP-BDAKNGLRSA-N 272.270 3.768 30 20 CHED Oc1ccccc1/C=N\[C@H]1C[C@H](c2ccccc2F)C1 797784847 KVQFZQWKDKDJEP-WZKVMSEVSA-N 269.319 3.896 30 20 CHED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccco1 796803347 SFABEXNTJUTZLN-GFCCVEGCSA-N 283.327 3.999 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1cccc(F)c1[N+](=O)[O-] 790311056 VXTBCJBKEPKGBP-WDEREUQCSA-N 279.315 3.958 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(C#N)c2)cc1 799304390 WBOFAECPRRQDSI-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C#Cc1cncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 798242931 NNWPPELVDMULIN-UHFFFAOYSA-N 291.137 3.622 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCCc2ccsc2)cc1 796039008 KKRCEOGMDRFDIT-UHFFFAOYSA-N 299.395 3.949 30 20 CHED C=CCCCCC[C@H](C)NCC1CCN(CC)CC1 793526482 MLMINFHVVIIHBB-INIZCTEOSA-N 266.473 3.833 30 20 CHED COCCCON=Cc1cc(Cl)ccc1OCC1CC1 795050938 JAGWBNGUPKTZNR-UHFFFAOYSA-N 297.782 3.516 30 20 CHED CCc1cccc2c1OC/C(=C\c1cccc(O)c1)C2=O 794724086 NZYRMVMCAWODRT-NTEUORMPSA-N 280.323 3.613 30 20 CHED N#C[C@H]1CCCN(CCCc2ccc(C(F)(F)F)cc2)C1 1208689973 CXMLYOKXVDILPP-CQSZACIVSA-N 296.336 3.874 30 20 CHED CC(C)N(C)c1ccc(/C=C/C(=O)c2ccccc2O)cn1 790222813 XAOGGBJBKGCEAU-CSKARUKUSA-N 296.370 3.528 30 20 CHED C=CCCN(C)Cc1csc(Br)c1 132611624 NAXRNOWHTZIPEM-UHFFFAOYSA-N 260.200 3.519 30 20 CHED Cc1cccnc1NN=Cc1ccc(F)c(C(F)(F)F)c1 790186137 NKJUGNKIHOZFKN-UHFFFAOYSA-N 297.255 3.994 30 20 CHED Cc1c(C(=O)O[C@@H]2C=CCC2)sc2ccc(C#N)cc12 797047822 HCLCIQOASXJMGQ-GFCCVEGCSA-N 283.352 3.957 30 20 CHED C[C@@H]1CSC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1O 794676269 KUSSKBMVKLJZGY-XNJVNDLISA-N 290.215 3.869 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(F)c1 1219030764 LGLDRZOFHZAXBQ-DGCLKSJQSA-N 289.354 3.645 30 20 CHED N#Cc1nc(NCC23CCC(CC2)C3)ccc1Cl 1307082996 KIRIIAOUCHQFRO-UHFFFAOYSA-N 261.756 3.599 30 20 CHED C=CCCC1(CNC(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)CCCC1 1230928617 SCNCEVQRDYMKDL-LVQVYYBASA-N 290.451 3.857 30 20 CHED COc1ccc(SCC(=O)c2ccc(C#N)cc2)cc1 19366576 LZVIQIFDIFRNTM-UHFFFAOYSA-N 283.352 3.542 30 20 CHED Cc1nc(C)c2c(C)c(C=NOC(C)(C)C)sc2n1 1319582300 DSVPYGLGJRCKRW-UHFFFAOYSA-N 277.393 3.766 30 20 CHED N#CCCN(Cc1ccco1)Cc1cccc(F)c1Cl 93178309 QGPVGJSSLACNSX-UHFFFAOYSA-N 292.741 3.988 30 20 CHED CC(=O)c1c(Cl)cccc1N1CCC[C@@](C)(C#N)C1 641486898 JJCYYVQOSMALQS-HNNXBMFYSA-N 276.767 3.673 30 20 CHED Cc1nc(C)c(C(=O)Nc2ccc(C#N)c(Cl)c2)s1 78230151 DXWDJPZRPUADPE-UHFFFAOYSA-N 291.763 3.537 30 20 CHED N#Cc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1F 192065205 UAEOLIYRNUDHRO-JKSUJKDBSA-N 290.407 3.557 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(N2CCCC2)cc1 1320467033 ZFKYWCNDLFRMLC-UHFFFAOYSA-N 285.435 3.658 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](Cc2ccccc2)C1 1333039240 PCKVRMSFMWHTAU-INIZCTEOSA-N 271.404 3.680 30 20 CHED N#Cc1ccc(COC(=O)c2csc3ccccc23)nc1 1339102148 IQKQXNMASIRXCK-UHFFFAOYSA-N 294.335 3.525 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)c(C)c1 720268165 MDSOGKRCNOEYDK-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CC[C@@](C)(CC)C1 1339040877 SVDDZVWZOXMAMR-SWLSCSKDSA-N 294.468 3.515 30 20 CHED C=CCCCCNCc1c(C(F)(F)F)nn(C)c1Cl 770666962 DHAMGSJHRRWWRY-UHFFFAOYSA-N 295.736 3.538 30 20 CHED CC1(C)CC(CNc2cncc(C#N)n2)CC(C)(C)C1 699457372 RXINOWAEPXVWHS-UHFFFAOYSA-N 272.396 3.613 30 20 CHED CCC[C@H](C(=O)O[C@H](CC#N)c1ccco1)C(C)C 1263660561 JMHDASHOZXOJCZ-GXTWGEPZSA-N 263.337 3.850 30 20 CHED C=CCC[C@H](OC(=O)Cc1sc(C)nc1C)C1CC1 1263387673 YYJOQNDDDYDBCA-ZDUSSCGKSA-N 279.405 3.590 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc(C)n1 1344343804 TYOXTSLQADBCDR-CYBMUJFWSA-N 299.399 3.768 30 20 CHED CCN(CC)C(=S)S[C@@H](C#N)c1ccccc1 1346787246 OMRJFZGMZHIVKN-LBPRGKRZSA-N 264.419 3.611 30 20 CHED C=C(C)Cn1c(C(CC)CC)nnc1N1CC[C@H](CF)C1 1263310310 INSGTWPTNNJMLH-CYBMUJFWSA-N 294.418 3.554 30 20 CHED CCN(c1nnc([C@@H](C)CCC#N)n1CC(C)C)C(C)C 1344849057 UBHJLWSEWJMVFE-AWEZNQCLSA-N 291.443 3.576 30 20 CHED CC(C)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cn1 1439540543 PPQHZDULSANFJB-UHFFFAOYSA-N 299.761 3.982 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1458419908 QGUVPAMVHYNDBS-SECBINFHSA-N 275.714 3.919 30 20 CHED CC(C)Oc1cccc(NC(=O)c2ccc(C#N)s2)c1 1526314854 UPVLWVCZOHQOGO-UHFFFAOYSA-N 286.356 3.659 30 20 CHED Cc1nc(N[C@@H]2C[C@@H]2Cc2ccccc2)c(Cl)cc1C#N 1458198166 JOWTYOVOZPFQQD-XJKSGUPXSA-N 297.789 3.958 30 20 CHED N#Cc1ccc(NC(=O)c2cccc3c2CCCC3)cc1 1524224581 SUZDCVGXHGEYJV-UHFFFAOYSA-N 276.339 3.689 30 20 CHED Cc1ccccc1CN(C)C(=O)[C@H](CC#N)c1ccccc1 1618013261 IJWCTQVYPKJVEV-GOSISDBHSA-N 292.382 3.651 30 20 CHED N#Cc1cc(=N[C@H](c2ccc(Cl)cc2)C2CCC2)cc[nH]1 1611955788 XKIJALZNLNCQEI-KRWDZBQOSA-N 297.789 3.982 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)NCC(C)(C)CCC#N 1470400444 BZZZGXJAQXNBRA-OAHLLOKOSA-N 293.455 3.927 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)c2cc(C)cc(C)c2)n1 1472689382 ZVTGCSYXBNQWFQ-ZDUSSCGKSA-N 280.375 3.701 30 20 CHED COc1ccc(C#N)cc1NCc1ccc2cc[nH]c2c1 1474172644 XXPBFSVCHGUHDN-UHFFFAOYSA-N 277.327 3.660 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N[C@H]1CC12CCCCC2 1546276747 LXEKHMKGTHRBCA-SJORKVTESA-N 296.414 3.598 30 20 CHED COc1ccc(N(C)C(=O)Nc2cc(C#N)ccc2C)cc1 1623179386 HEQKBUBCCYUHNM-UHFFFAOYSA-N 295.342 3.544 30 20 CHED N#CCc1ccccc1C(=O)Nc1cc(F)cc(Cl)c1 1631657916 WADPMTHTDZMMAR-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1nc(C#N)cc(N2C[C@H](C)CC[C@H]2c2ccccc2)n1 1655465494 ZAEBWNVASUHMJS-DYVFJYSZSA-N 292.386 3.634 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1ccc(C#N)cc1F 1584093496 ZBIBABDTMAURPJ-JRPNMDOOSA-N 275.323 3.679 30 20 CHED C=CCCCCCN(C)C[C@@H]1CCCC[C@@H]1C(=O)O 1588799709 BGIYCJSWPKQXTL-GJZGRUSLSA-N 267.413 3.556 30 20 CHED C#CCCCCCCNc1cccc(CCC(=O)O)c1 1588390752 GNUFZMKQEGYLER-UHFFFAOYSA-N 273.376 3.699 30 20 CHED CCC(CC)(CC)CNC(=O)Nc1cc(C)c(C#N)cn1 1672161996 YCQGDSBCGHXYQZ-UHFFFAOYSA-N 288.395 3.600 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccc(F)c(C(=O)O)c2)C1 1776062394 RWXQXDHISLBSHH-QWRGUYRKSA-N 278.327 3.748 30 20 CHED C=CC(C)(C)CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)O 1776147408 NSIRGUDKDLCSRV-UHFFFAOYSA-N 292.335 3.616 30 20 CHED C[C@@H]1/C(=C/c2ccc(/C=C/C(=O)O)o2)C(=O)c2ccccc21 1777407815 IFLXUNMERZPMBF-NHGZCWKYSA-N 294.306 3.761 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(C#N)c1 15659128 XCSMPVRTLAGVEG-UHFFFAOYSA-N 275.311 3.600 30 20 CHED C#Cc1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1 19965951 PTLOADCVGPDKSC-UHFFFAOYSA-N 291.137 3.622 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1sccc1C#N 161128914 ADEJIEAWGKUEAO-WCQYABFASA-N 276.405 3.661 30 20 CHED N#Cc1cccc(SCc2ccc(F)cc2C#N)c1 158782617 ZBUMIWTVALFDRX-UHFFFAOYSA-N 268.316 3.861 30 20 CHED COc1cccc2c1C/C(=C\c1cccs1)C2=O 165387907 UTGMOAUNVKYUBB-CSKARUKUSA-N 256.326 3.579 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)c2c(C)noc2C)cc1 168189642 NEYNGWAGSLDLBH-STQMWFEESA-N 298.386 3.715 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 152644932 NUZRAUBZHYWISS-INIZCTEOSA-N 284.403 3.793 30 20 CHED CCn1nccc1/C=C1/CCc2cc(SC)ccc2C1=O 152647134 YUBCFKCBZRAPQJ-RAXLEYEMSA-N 298.411 3.837 30 20 CHED CC#CCCN(Cc1ccco1)Cc1cccs1 155026618 ZRJMVFMZZZSWQR-UHFFFAOYSA-N 259.374 3.757 30 20 CHED CC[C@@H](C)c1cc(C(=O)N(CCC#N)CC(C)(C)C)on1 155265494 SSMIGZAISMOUEE-GFCCVEGCSA-N 291.395 3.590 30 20 CHED C=CCN(C)C(=O)c1cccc(N[C@@H](C)C(C)C)c1C 154152303 CYGRCBJCXKZFSM-AWEZNQCLSA-N 274.408 3.709 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1c(C)noc1C 154297711 AVFQHQVDCLSREH-LBPRGKRZSA-N 293.411 3.740 30 20 CHED C#CCCCCNC(=O)[C@H](C)Sc1ccccc1Cl 156620835 XHQJRQWWVBKROA-LBPRGKRZSA-N 295.835 3.740 30 20 CHED CC(C)CC(C)(C)CNC(=O)Nc1ccc(C#N)cc1 1666946064 MUHGSQWWRFOWKY-UHFFFAOYSA-N 273.380 3.752 30 20 CHED CC[C@@H](C)CSCCC(=O)Nc1cccc(C#N)c1 225303059 SQONIZYXOSLAHZ-GFCCVEGCSA-N 276.405 3.666 30 20 CHED N#Cc1cccc(Oc2ccc(F)c(C(F)(F)F)c2)n1 226459133 HTKMSWZMCSVFNY-UHFFFAOYSA-N 282.196 3.903 30 20 CHED COc1cc(CNc2ccc(F)c(Cl)c2)ccc1C#N 234904742 VBJAIBIWHYIZJA-UHFFFAOYSA-N 290.725 3.971 30 20 CHED COc1ccccc1[S@](=O)CCCCC(C)(C)C#N 234907556 MIRNCCNRIVFRSL-LJQANCHMSA-N 279.405 3.523 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1cccc(OCC#N)c1 36681579 JAYGPROFPZILSQ-CYBMUJFWSA-N 274.364 3.744 30 20 CHED C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1C#N 37333803 MHIIFRQMKUNGKS-JTQLQIEISA-N 268.282 3.956 30 20 CHED CCN(Cc1cccc(C#N)c1)c1cccc(F)c1 44349937 TXZBEEAKIYNKNT-UHFFFAOYSA-N 254.308 3.724 30 20 CHED N#CCc1ccc(NC(=O)CC2CCCCC2)cc1 48463148 YNXYESOFBKOMPV-UHFFFAOYSA-N 256.349 3.662 30 20 CHED COc1ccc(CNc2cccc(C)c2F)cc1C#N 181127297 KJSVVGWUANLBOE-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1cc(Cl)ccc1NCc1ccc(Cl)nc1 301216871 ZACIXAJVOFJSFE-UHFFFAOYSA-N 278.142 3.872 30 20 CHED Cc1cc(CN(C)Cc2sccc2C)ccc1C#N 462824672 FDCSSDAJXYTMQO-UHFFFAOYSA-N 270.401 3.869 30 20 CHED C#C[C@H](NC(=O)[C@@H](c1ccccc1)[C@H](C)CC)C(C)C 312162800 SRIGGFDZZSAWIW-HYVNUMGLSA-N 271.404 3.590 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191898 OYCDLZPIDFYKEJ-VIFPVBQESA-N 284.281 3.952 30 20 CHED C[C@@H]1CCCN(c2cccc(Cl)c2C#N)[C@@H]1CCCN 596019969 JARIDZMIFSNYHD-IUODEOHRSA-N 291.826 3.555 30 20 CHED CCC[C@H](C(=O)Nc1sccc1C#N)C(C)C 134096040 LRZDBICYGXEBSU-NSHDSACASA-N 250.367 3.631 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(C)c1ccc(C#N)cc1 308095578 ZTRMIPAZYMGSAA-HNNXBMFYSA-N 272.392 3.983 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](C)c1ccccc1F 102603020 IWOONTGNTCLVRI-ZDUSSCGKSA-N 263.356 3.744 30 20 CHED C=C(Cl)CSCc1nc(-c2ccc(F)cc2)no1 108409584 IJVPZTSGILVOQP-UHFFFAOYSA-N 284.743 3.861 30 20 CHED Cc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1F 103241993 HJRCTNXKXYGORJ-LBPRGKRZSA-N 297.333 3.889 30 20 CHED Cc1ccc(OCCC(=O)Nc2cccc(C#N)c2)c(C)c1 20261441 JLEWESUXNYDHHI-UHFFFAOYSA-N 294.354 3.583 30 20 CHED N#CCSc1nccn1-c1ccc(C(F)(F)F)cc1 110151818 VTECSOAYTZAQMM-UHFFFAOYSA-N 283.278 3.507 30 20 CHED C=C(Br)COC(=O)c1sccc1SC 171524352 JQXBVWMQCJTOAQ-UHFFFAOYSA-N 293.207 3.535 30 20 CHED COc1ccc(C(=O)OCCCC#N)cc1-c1ccccc1 51496805 LGKXIWXNBZTXJP-UHFFFAOYSA-N 295.338 3.823 30 20 CHED C=C(Br)CNC(=O)C[C@@H](C)c1ccccc1C 116181548 BLDGVEXIVQCSAD-LLVKDONJSA-N 296.208 3.513 30 20 CHED CCC1(CC)CN(CCCC(C)(C)C#N)CCS1 464579539 VCIGOYCWEZHSPN-UHFFFAOYSA-N 268.470 3.924 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 171153602 DZILIHQNUUZJNR-RYUDHWBXSA-N 290.411 3.671 30 20 CHED C=CCNC(=O)Nc1cccc(COc2ccccc2)c1C 175004448 ISPXQYUYFRXDHE-UHFFFAOYSA-N 296.370 3.882 30 20 CHED N#Cc1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1 115559720 QNRQIARDHZDRFO-GOSISDBHSA-N 294.423 3.848 30 20 CHED CCCCCCCN1CCC(C(=O)NCCCC)CC1 172650414 CHRKXUDDCHVKIC-UHFFFAOYSA-N 282.472 3.585 30 20 CHED N#C[C@H](NC(=O)C1CCCC1)c1cccc(Cl)c1Cl 66393180 OTECNNYJGMEINI-LBPRGKRZSA-N 297.185 3.864 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 111901357 WSLYYFYVOGQFHL-SJORKVTESA-N 284.403 3.706 30 20 CHED CC[C@@H]1CN(c2cccc(C#N)n2)CC[C@@H]1c1ccccc1 301428428 INEPAIYUKVUTAJ-QAPCUYQASA-N 291.398 3.973 30 20 CHED CCOc1ccccc1[C@@H](CC)NCCCSCC#N 179754806 OZSMNXVRGQBJBW-OAHLLOKOSA-N 292.448 3.773 30 20 CHED C[C@H](c1ccccc1)N(C)c1ccc([N+](=O)[O-])cc1C#N 301073072 XBKAJGSGCIVFQW-GFCCVEGCSA-N 281.315 3.664 30 20 CHED N#CCCN(Cc1ncc(-c2cccs2)o1)CC1CC1 174697595 OQKKBPCNGNAGAF-UHFFFAOYSA-N 287.388 3.529 30 20 CHED C=CCCCSCCC(=O)Nc1ccccc1F 172215555 YEBOJEZHXIBIEF-UHFFFAOYSA-N 267.369 3.854 30 20 CHED C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)c1cccc(F)c1 176818446 NXRQTAAQFPBQAL-NSHDSACASA-N 298.317 3.535 30 20 CHED N#CCSCCCNC1(c2ccc(F)cc2F)CCC1 179994298 YVAGQNFVTFBEJL-UHFFFAOYSA-N 296.386 3.580 30 20 CHED Cc1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)ccn1 119452010 NQFHLMSJQCUCCJ-INIZCTEOSA-N 294.358 3.557 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)C1(C)C 25103750 ZIQWDZHISYQMDV-IRXDYDNUSA-N 296.414 3.755 30 20 CHED CN(C(=O)NCc1ccc(C#N)cc1)C1CCC(C)(C)CC1 176886278 KQLIJHCFSDQZFE-UHFFFAOYSA-N 299.418 3.668 30 20 CHED C=CC[C@H](C)NC(=O)c1sc(-c2cccs2)nc1C 116858134 JTXVPOSIRKLBMX-VIFPVBQESA-N 292.429 3.874 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CC1CCC1 173727045 KDGATRIKUFGDIU-UHFFFAOYSA-N 261.340 3.531 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](c2ccc(OC)cc2)C1 129123713 KRVVVQJPKYJLFA-KRWDZBQOSA-N 299.414 3.780 30 20 CHED CCCCCCCC(=O)N(C)[C@@H](C)c1ccncc1 125569580 UCMWDOZLJBHYMG-AWEZNQCLSA-N 262.397 3.962 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cccc(F)c1 177594764 VQORWTIAFWTJAN-GFCCVEGCSA-N 281.396 3.731 30 20 CHED CC[C@H](C#N)Sc1nnc(CCCc2ccccc2)o1 127774850 IMVBNDSQJKLBPR-CYBMUJFWSA-N 287.388 3.639 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@H](Cc3ccccc3)C2)n1 302476495 FFDDDAJJSPTWEO-HZPDHXFCSA-N 277.371 3.777 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cnn1C(C)C 188887902 NKAWGPATZMBHSD-CMDGGOBGSA-N 299.330 3.577 30 20 CHED C=CCC1(C(=O)Nc2cccc(OCC)c2)CCC1 189080444 OMGNAKMNXQZEQK-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CCCCCCCN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 230061749 DITKFYMVSZEFKR-KKUMJFAQSA-N 267.413 3.675 30 20 CHED CC(C)C(=O)Nc1cccc(NCc2cccc(C#N)c2)c1 122256864 AZKOVGPNJJCWBP-UHFFFAOYSA-N 293.370 3.765 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2ncccc2C#N)C1 77983821 RNGJSVJWACTLPD-ZBFHGGJFSA-N 277.371 3.644 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)CCC2 414169814 SDUDGHWITPHIEB-ZDUSSCGKSA-N 256.393 3.766 30 20 CHED C=CCC[C@H](NCC1(CCOC)CCCC1)C1CC1 121673842 LTXLRHIGZMSXHD-INIZCTEOSA-N 265.441 3.918 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 410829851 SLEUDZRJLYPSAP-QJPTWQEYSA-N 290.329 3.506 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCCCC(C)C 79250785 QAKCHGKFVNVTNP-UHFFFAOYSA-N 280.437 3.882 30 20 CHED CCN(CCC#N)Cc1cc(C)c(Br)s1 127630222 HMNSDDDOZWGKEY-UHFFFAOYSA-N 287.226 3.555 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(C)c2ccc(C#N)cc2)CC1 328320222 DUYYBXHLVUDQRT-CTYIDZIISA-N 270.376 3.737 30 20 CHED C[C@H]1CCCCN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419615918 RLJJZSMISVNNCF-GUYCJALGSA-N 297.402 3.520 30 20 CHED Cc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1[N+](=O)[O-] 185850135 AZTUWXRPDJUIJQ-YDHLFZDLSA-N 287.363 3.636 30 20 CHED Cc1csc([C@@H](C)CN[C@H](C)c2cccc(C#N)c2)n1 186568336 LDQCFJMWMSUFEE-WCQYABFASA-N 285.416 3.778 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccc(OC(F)(F)F)cc1 411439861 AIBHGWYNBZTOFC-GHMZBOCLSA-N 286.297 3.928 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N1CCc2cc(C#N)ccc21 416008399 BAXCUDRPVGJPLK-UHFFFAOYSA-N 294.354 3.786 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccco2)c(OC)c1 121269125 RRMVLOQOXSOIPZ-ZIAGYGMSSA-N 298.338 3.726 30 20 CHED C=C(C)CCSc1n[nH]c(-c2ccccc2F)n1 505444050 NWPIVWNNVLTGDW-UHFFFAOYSA-N 263.341 3.669 30 20 CHED N#CCN(Cc1ncc(-c2ccccc2F)o1)C1CCCC1 121800854 ICVMNLDFAJDHFC-UHFFFAOYSA-N 299.349 3.749 30 20 CHED C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1cccc(C#N)c1 186601301 FLDUWYJFHGLCMD-CQSZACIVSA-N 294.398 3.636 30 20 CHED CCCNC(=O)c1ccc(NCC(C)(C)CCC#N)cc1 419747039 RSJUBMBPKGYDIC-UHFFFAOYSA-N 287.407 3.568 30 20 CHED CC1(C)CC[C@H](CSc2ccc(C#N)cc2F)O1 412996697 UBBOOKJTXALBBW-LLVKDONJSA-N 265.353 3.747 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc(Oc2nccs2)c1 76620242 DPALZTFKNGLCBR-NSHDSACASA-N 288.372 3.630 30 20 CHED CCC(CC)c1nnc(NCc2cc(C#N)cs2)s1 181548011 GQYUMJSICLXGDK-UHFFFAOYSA-N 292.433 3.987 30 20 CHED CC(C)(C)CCn1nc(C(C)(C)C)c(CCC#N)c1O 187176321 UFVSIXZNHRPZFH-UHFFFAOYSA-N 277.412 3.779 30 20 CHED CC[C@@H](CC#N)NC[C@@H](C)c1cccc(Cl)c1 188486983 NPTVDVGQJYTIPN-RISCZKNCSA-N 250.773 3.725 30 20 CHED CCCCCC(=O)Nc1nc(C)c(SCC#N)s1 44789165 HQURATQTESQRSG-UHFFFAOYSA-N 283.422 3.586 30 20 CHED C=CCC[C@@H](CC)Nc1cccc([C@H]2CCC(=O)N2)c1 414313156 KDOUILVVDGKASE-GDBMZVCRSA-N 272.392 3.794 30 20 CHED C=CC[C@H](C(=O)Nc1ncc(C)s1)c1ccccc1 186081901 WKJGSXRXHBYRBA-ZDUSSCGKSA-N 272.373 3.750 30 20 CHED CC(C)(C)c1cc(/C(O)=N/C[C@H]2CCCCS2)no1 329665494 QUPXDIYGCKLECT-SNVBAGLBSA-N 282.409 3.562 30 20 CHED CSC[C@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N 410932432 YCLXHYNYPUOFOJ-VIFPVBQESA-N 296.461 3.855 30 20 CHED N#C[C@@H](C(=O)c1cccs1)c1ccc(C(F)(F)F)cn1 41555304 WPFHCNKXKPUQLE-SECBINFHSA-N 296.273 3.652 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCC1CCC1 412811756 CUJZSVCWERMWES-QGZVFWFLSA-N 271.404 3.870 30 20 CHED C=CCCOCCN[C@H](CC)c1cccc(Cl)c1 222443252 RYGLXVGBTOPBNU-OAHLLOKOSA-N 267.800 3.973 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1CC#N 410829969 SUAKEURAXNZECA-ZFWWWQNUSA-N 270.376 3.908 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccccc1 42142145 NHCYTHBWNORFQM-CQSZACIVSA-N 275.417 3.509 30 20 CHED Cc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 41545225 TZUPRMKQQCCFJB-CYBMUJFWSA-N 276.295 3.626 30 20 CHED COC1CCC(CC/N=C(/O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 329469123 XHAYAPXBAKESOZ-FGZQJIAISA-N 295.423 3.544 30 20 CHED CCc1cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)sc1C 41574574 YUEYXMQCTJDZKA-CYBMUJFWSA-N 299.399 3.516 30 20 CHED C[C@@H]1CCc2nc(CNc3ccccc3C#N)sc2C1 414313551 YMNZWDJVLGYFBE-LLVKDONJSA-N 283.400 3.752 30 20 CHED C[C@H](NCCc1c[nH]c2ccccc12)c1cccc(C#N)c1 192934260 UFXABCLSSFEDPP-AWEZNQCLSA-N 289.382 3.933 30 20 CHED CN(C)c1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 130406208 ZCVFEEJRMZFJAN-IBGZPJMESA-N 293.414 3.887 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1ccccc1C 84074627 GSOPRWVLWKHDNC-UHFFFAOYSA-N 270.357 3.595 30 20 CHED CC(=O)c1ccc(OCc2ccc(F)c(C#N)c2)c(C)c1 229754168 WCOJPEHISCFHKR-UHFFFAOYSA-N 283.302 3.787 30 20 CHED CC(C)(C)c1cnc(COc2cccc(F)c2C#N)o1 134078544 PFGVIKFFOMKDIJ-UHFFFAOYSA-N 274.295 3.562 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)CCCC(F)(F)F)OCC 427738124 ACVRVOWUQSYYIG-RYUDHWBXSA-N 295.345 3.595 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCCc2sccc21 426237726 JIXOCWSRVHXCTP-OCCSQVGLSA-N 290.432 3.876 30 20 CHED C[C@@H]1[C@@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CCC[C@H]1C 329874639 FVRVQEFSNYHPGK-OSFYFWSMSA-N 288.391 3.787 30 20 CHED C[C@@H]1CCCC[C@@H]1C/N=C(/O)[C@H]1CCC(=O)c2cccn21 329846110 MBLOLQRAORZCGN-UMVBOHGHSA-N 288.391 3.789 30 20 CHED C=CCNC(=O)c1ccc(NCc2cc(C)ccc2F)cc1 195125622 ILSZMYDUDJFSTK-UHFFFAOYSA-N 298.361 3.662 30 20 CHED Cc1nc(C)c(N/C(O)=N/[C@@H]2CC23CCCCC3)s1 329120863 QDJNTFQTYFWDDJ-LLVKDONJSA-N 279.409 3.809 30 20 CHED C#CCCCC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 192333810 NOMLAZBIQDQDIS-CYBMUJFWSA-N 277.795 3.533 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCc1c[nH]c2ccccc12 424670449 ZSYBYRYBKQKNIN-UHFFFAOYSA-N 284.403 3.819 30 20 CHED C=CCCCC[C@H](C)NC[C@@]1(C)C[C@H]2CC[C@H]1O2 424297646 RHOATJQGNOAWQV-ZJIFWQFVSA-N 251.414 3.669 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC(C)(C)C1 511360848 PICAPBXANIGBGP-MRXNPFEDSA-N 286.419 3.963 30 20 CHED Cc1cccc(CC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1 80453147 NYTCPALHPZKAAH-AWEZNQCLSA-N 298.411 3.994 30 20 CHED N#Cc1ccc(NC(=O)NCc2ccsc2)cc1Cl 337210979 AGWLCHVPHGDJER-UHFFFAOYSA-N 291.763 3.595 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](C)CC 190484505 ORFFRHNCZXKVMP-CQSZACIVSA-N 270.376 3.509 30 20 CHED Cc1ccc(-c2n[nH]c(S[C@@H]3CC[C@H](C#N)C3)n2)cc1 336266327 USMCDQWGIZYERP-WCQYABFASA-N 284.388 3.565 30 20 CHED C[C@H](C#N)C(=O)Nc1nc(-c2ccccc2Cl)cs1 336448212 JQEHLZNCEUUNCZ-MRVPVSSYSA-N 291.763 3.562 30 20 CHED N#C[C@]1(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC12CCCC2 333407772 JSWICJAQMPNGDZ-DAYGRLMNSA-N 286.419 3.545 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(O)=Nc1cc(OC)ccc1OC 330625226 HHLQVALJVUOLEH-NWDGAFQWSA-N 292.379 3.512 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)oc1C 336555828 CYIDFFHIEBIMTI-ZDUSSCGKSA-N 288.734 3.545 30 20 CHED C#CCCOc1ccc(CNCCc2ccccc2F)cc1 237819693 ZWWIKQPMYIUQNZ-UHFFFAOYSA-N 297.373 3.560 30 20 CHED CSc1cccc(C)c1N/C(O)=N/C[C@@H]1CCCCO1 331028640 QWYJZDIURAGKIY-LBPRGKRZSA-N 294.420 3.612 30 20 CHED C[C@@H]1N(CCC2(C#N)CCCCC2)CCC12CCOCC2 335174063 NWPBOJUHORVPFL-INIZCTEOSA-N 290.451 3.742 30 20 CHED CC[C@H](C)CC(=O)Nc1ccc(C#N)c(Br)c1 383381785 FZHPHCUAGCSPMX-VIFPVBQESA-N 295.180 3.695 30 20 CHED C=C(C)CN(C)Cc1csc(-c2ccsc2)n1 181316906 WICJYVGHRYSUOB-UHFFFAOYSA-N 264.419 3.880 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(OC(F)F)cc1 180455132 QMXCHJZCMQSVFS-NSHDSACASA-N 287.375 3.858 30 20 CHED CO[C@H](C)CNc1c(C#N)cnc2c(Cl)cc(C)cc12 338482302 CBJIOTOGRDHLPJ-SNVBAGLBSA-N 289.766 3.515 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 248828493 MFVWDDANHSHHPP-GZOSKZMVSA-N 268.404 3.982 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1 246181434 JHPJKVXSUOWWMT-BBWFWOEESA-N 269.388 3.856 30 20 CHED CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H](C)C#N)cc1 345812391 XTFCCTNMVROMHK-RYUDHWBXSA-N 276.405 3.524 30 20 CHED C[C@H](C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1F 344878186 PMVQHZBTESKHHF-CQSZACIVSA-N 296.345 3.514 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 431304683 IEYNLPFRWMCTMY-FVQBIDKESA-N 290.382 3.726 30 20 CHED N#CCC1(CN2CCC[C@@H](c3ccccc3)C2)CC1 602841867 SVPRFUFXMLDOEU-MRXNPFEDSA-N 254.377 3.560 30 20 CHED Cc1ccc(Br)cc1CNC[C@@H](C)CCC#N 602626195 JRMOCNRGEJZAPR-NSHDSACASA-N 295.224 3.787 30 20 CHED CC[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccc(C)cc1 340757689 VDUGQYTWQKBEKZ-KRWDZBQOSA-N 296.345 3.887 30 20 CHED CC#CCN1Cc2ccccc2[C@H](c2ccccc2)C1 607726145 LOOPIUKRVBLFDR-IBGZPJMESA-N 261.368 3.657 30 20 CHED CC1CCC(CC(=O)N[C@@H](C#N)c2ccccc2F)CC1 349517907 NOMOGOPUAOLBPG-ZUEPYMLJSA-N 288.366 3.723 30 20 CHED CC(C)CN(C(=O)CC1(C)CC1)c1ccc(C#N)cc1 345725468 FRKUFEKUCJBHCP-UHFFFAOYSA-N 270.376 3.737 30 20 CHED CC(=NNc1nc2ccccc2s1)c1ccc(O)cc1O 254303909 NKORNCNMEVYGGM-UHFFFAOYSA-N 299.355 3.544 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CCCC23CC3)c(Cl)c1 529434574 PZLHSKKKFRXPHV-LBPRGKRZSA-N 288.778 3.925 30 20 CHED C=CCCN(C)c1ccc(C(=O)Nc2ccc(C)cc2)cn1 341433671 OAVXMWNNRINSNQ-UHFFFAOYSA-N 295.386 3.655 30 20 CHED CCCC1(CNC(=O)NCC(C)(C)CCC#N)CCC1 354256552 UQTKOQIGMSRNST-UHFFFAOYSA-N 279.428 3.586 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CCC(C)(C)C 354099434 DRHOIWOFVSGOQO-UHFFFAOYSA-N 273.380 3.755 30 20 CHED CN(Cc1c(Cl)cccc1Cl)c1cnccc1C#N 354571708 RUUFFRBGNKCUSD-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C[C@@H](CCC#N)CNCC(C)(C)c1cccs1 602554045 ZAPWAVCSWXJWMS-LBPRGKRZSA-N 250.411 3.555 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)cc1C#N 267579488 FZBCGFMVESJKHG-CYBMUJFWSA-N 298.361 3.865 30 20 CHED Cc1ccnc(CS[C@H](C)c2cccc(C#N)c2)n1 443128372 DTSVLGWUGTUPGU-GFCCVEGCSA-N 269.373 3.651 30 20 CHED C=CCCC1(C(=O)NCC2(c3ccccc3)CC2)CC1 353873468 COYNVSFCTGPLTF-UHFFFAOYSA-N 269.388 3.581 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cscn1 619755364 FVDWJNKYQLPXEE-VIFPVBQESA-N 277.780 3.519 30 20 CHED C=CCN(CCc1ccco1)Cc1ccncc1Cl 352716146 CGKHAKKNJKVIOG-UHFFFAOYSA-N 276.767 3.559 30 20 CHED C=CCCCCCN(C)c1ncc([N+](=O)[O-])cc1Cl 610077322 QECVOYCPJXMPAU-UHFFFAOYSA-N 283.759 3.826 30 20 CHED C=CCN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 358826357 PHGMAYCCFVTLMS-NSHDSACASA-N 258.390 3.955 30 20 CHED C=CCCCCCN(C)CC(=O)c1cc(C)n(C)c1C 531255009 QVFNTCYIJWSTLT-UHFFFAOYSA-N 276.424 3.503 30 20 CHED Cc1cc(C)c(CN(CC#N)C2CCCC2)cc1C 539819952 TXCFIMUWICIJGD-UHFFFAOYSA-N 256.393 3.880 30 20 CHED C=C(C)CN(C)C(=O)c1c(Cl)cc(C#N)cc1Cl 611505467 ZXQIRVLFUHBOBF-UHFFFAOYSA-N 283.158 3.513 30 20 CHED CC[C@H](C)CCCCC(=O)N1CCC[C@@](C)(C#N)C1 612251122 NECNOJFUBDAMHG-HOCLYGCPSA-N 264.413 3.745 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2c(Cl)cccc2s1 613037425 XVEJZWPTINKDPS-VIFPVBQESA-N 292.791 3.977 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1cccc(C#N)c1F 539250243 JRLAWQXSJZKHDJ-OLZOCXBDSA-N 260.356 3.708 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C)c(Cl)c1)OCC 535126455 ZLILHLGZHBIGJA-AWEZNQCLSA-N 281.783 3.958 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCCCC1(C)C 538289111 XDAZXNBXJYQYQN-OAHLLOKOSA-N 281.440 3.834 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CC12CCCCC2 536519251 DIQKRXJKMYBBJK-MRXNPFEDSA-N 285.387 3.704 30 20 CHED N#Cc1cccc(C2(NC(=O)C=C3CCCCC3)CC2)c1 269649697 ZVEYHXXJYKBIIE-UHFFFAOYSA-N 280.371 3.554 30 20 CHED CCCCN(CCCSCC#N)[C@@H]1CCCC[C@H]1OC 451648605 FJJZAMSILJUIRR-HZPDHXFCSA-N 298.496 3.693 30 20 CHED C=C(C)CCc1noc([C@@H]2Cc3cccc(C)c3O2)n1 453180145 JWCLMEYCTWNCTR-ZDUSSCGKSA-N 270.332 3.563 30 20 CHED C=C[C@H](CC(=O)Nc1cc(OC)ccc1O)c1ccccc1 535413953 JEVUCTBPMSJCSQ-CYBMUJFWSA-N 297.354 3.699 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c(SC)c1 457910383 JRUYDQFZMJCGNY-OAHLLOKOSA-N 279.405 3.958 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)CC#N)c1ccc(Cl)c(Cl)c1 266945112 QPIOEZASJYZKCX-NXEZZACHSA-N 299.201 3.857 30 20 CHED N#Cc1ccc(SCc2cccc([N+](=O)[O-])c2)c(F)c1 610165838 ZGVRNAGUMRZHRE-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C=CCCC1(C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)CC1 361039998 GKVVFIBUKJQQME-UHFFFAOYSA-N 297.398 3.512 30 20 CHED C=CCC(CC=C)C(=O)NC1CCc2ccccc2CC1 456454267 KBYSKWJACNEURE-UHFFFAOYSA-N 283.415 3.819 30 20 CHED C=C(CC)CN[C@@H](CCO)c1cccc(C(F)(F)F)c1 451303806 HFCAYPVOYQUMPV-AWEZNQCLSA-N 287.325 3.685 30 20 CHED C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 540604876 BBIIOWWGLGMDAO-STQMWFEESA-N 295.342 3.878 30 20 CHED COc1cc(C#N)ccc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 546710459 KZNCHXLKCDQJQK-VXGBXAGGSA-N 286.375 3.578 30 20 CHED N#CCc1ccc(NCc2nccc3ccccc23)cc1 612691789 GDJWFUYKLXLARF-UHFFFAOYSA-N 273.339 3.913 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc3c(cnn3C(F)F)c2)C1 618573781 BQCBMYLAKVQODT-ZYHUDNBSSA-N 290.317 3.926 30 20 CHED C[C@H](C#N)CNC(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 541020452 NHMACNRXRFCBMO-HIFRSBDPSA-N 293.455 3.830 30 20 CHED C#CC[C@H](NCc1csc(CCC)n1)c1ccccc1 271649851 BBHNTBASMHMFRE-INIZCTEOSA-N 284.428 3.950 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N[C@](C)(C#N)C(C)(C)C 274313534 IQRGSDODLNDZJF-RDTXWAMCSA-N 286.419 3.933 30 20 CHED C=C(CC)CNC(=O)C[C@H](C)c1ccc(F)cc1F 456810489 GBEUYSNYGHEIQV-NSHDSACASA-N 267.319 3.541 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 613270848 DWJQESHDSSIFAG-RRQGHBQHSA-N 287.403 3.660 30 20 CHED Cc1ccnc(N2CCC(c3ccsc3)CC2)c1C#N 275025296 UQNXBTHCSNDJCM-UHFFFAOYSA-N 283.400 3.707 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C)C(C)(C)C1 546151337 UGFYXDYQDVAHEC-GFCCVEGCSA-N 285.391 3.767 30 20 CHED N#CCCCNC1CC(c2ccc(Br)cc2)C1 279530011 PCZWFTZNIWGYQH-UHFFFAOYSA-N 293.208 3.588 30 20 CHED C[C@@H](C#N)CNC(=O)NC(C)(C)CC1CCCCCC1 548372559 AMRPEURLCUEMSH-ZDUSSCGKSA-N 279.428 3.584 30 20 CHED C=C(C)CCNC(=O)N[C@H](CC)c1ccc(F)cc1F 455319228 ZQINKBJBCTWCTA-CQSZACIVSA-N 282.334 3.681 30 20 CHED C=C(CC)CNC(=O)c1c(C)[nH]c2ccc(Cl)cc12 456813543 QTCCVTDMRXQZSE-UHFFFAOYSA-N 276.767 3.826 30 20 CHED C#CC[C@H](N[C@H](C)c1cncs1)c1ccccc1 271576676 WLPUGPDFQTYPCO-OCCSQVGLSA-N 256.374 3.558 30 20 CHED C[C@@H]1C[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)CCO1 361705581 QWNNAJKIJOQCAT-GHMZBOCLSA-N 298.308 3.804 30 20 CHED C[C@H]1[C@@H](C)Sc2ccccc2N1C(=O)CC(C)(C)C#N 279067439 TUPMAHGXWYQKNK-NWDGAFQWSA-N 288.416 3.842 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(OC)c(Cl)c1)OCC 270115169 KOCIRPZUVBZFOL-CQSZACIVSA-N 297.782 3.658 30 20 CHED CCCCCCCc1nc(-c2ccc3nnc(C)n3c2)no1 278078811 XHXUIRBNIUNKMU-UHFFFAOYSA-N 299.378 3.601 30 20 CHED COc1ccc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)cc1C#N 542052465 QRPUFQKPCMUZRM-IAOVAPTHSA-N 284.403 3.577 30 20 CHED C=CCN(C(=O)Cc1cccc(OCCC)c1)C(C)(C)C 622944034 BIXRCCDTXGQOEB-UHFFFAOYSA-N 289.419 3.831 30 20 CHED C[C@H]1CCc2ccccc2N1CCCC1(C#N)CCOCC1 281997122 NGVITIDBMSLSSF-INIZCTEOSA-N 298.430 3.928 30 20 CHED N#Cc1ccc(NC[C@@H]2CCN(c3ccccc3F)C2)cc1 461876798 JVUDJJCQBGPKIM-HNNXBMFYSA-N 295.361 3.636 30 20 CHED C=CCN(CC=C)C(=O)C1(c2ccccc2C)CCC1 463253819 ACUAJOGEJIFTHI-UHFFFAOYSA-N 269.388 3.617 30 20 CHED CC(C)(C)c1ccc(OCCNc2cc(C#N)ccn2)cc1 555899128 SIAVNKDGMOEPHQ-UHFFFAOYSA-N 295.386 3.742 30 20 CHED C=C[C@@H](C)NC(=O)NCc1ccccc1Oc1ccccc1 465225269 PKOUOVWRDUPIDM-CQSZACIVSA-N 296.370 3.853 30 20 CHED C=CCN(C(=O)c1cccc(C2CCC2)c1)C1CC1 281427869 RIQIKDFFJBOZAY-UHFFFAOYSA-N 255.361 3.745 30 20 CHED C=CCCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 378189922 AYTGKCOLGHJYEJ-OAHLLOKOSA-N 279.330 3.985 30 20 CHED C=CCC[C@H](CC)NC[C@]1(C)CCO[C@@H]1C1CC1 372095011 MLJHOWHXTAUDRB-XHSDSOJGSA-N 251.414 3.526 30 20 CHED Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc(C#N)oc1C 281339442 QNULVMDJAZUUBZ-UHFFFAOYSA-N 298.342 3.849 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](OCC)C12CCCC2 467335503 KZUGBEORXDQOLU-JKSUJKDBSA-N 291.435 3.609 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H](C)c1ccc(F)cc1 467326702 XDEPKDLMVSGDFZ-CYBMUJFWSA-N 275.367 3.814 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C)c(C)o1 282735374 MVKCDCSBVGQIHF-XPKDYRNWSA-N 263.381 3.528 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 468856806 HOKJQIVBVMJSFS-LJQANCHMSA-N 293.366 3.523 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1nc(CC2CCCC2)no1 551160785 YNXWCBYUOIAMLR-LBPRGKRZSA-N 297.358 3.814 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](c1nccn1C)C1CC1 639265268 JCBMRJUOUNXAIF-MSOLQXFVSA-N 295.430 3.648 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1[C@H]1CC[C@@H](C#N)C1 292735615 GVORVMLOBFRVJZ-BGTYHANMSA-N 268.404 3.632 30 20 CHED C=CCC[C@@H](NC[C@H]1CCCCN1CC)c1ccco1 556868605 SZXFOMIHSQJQNG-HZPDHXFCSA-N 276.424 3.751 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1 299819651 AZRLDFCEWNXOBY-RMKNXTFCSA-N 296.322 3.559 30 20 CHED C=CCCc1noc(C[C@@H](C)c2cccc(OC)c2)n1 297442577 WICNPQWGNINMES-GFCCVEGCSA-N 272.348 3.543 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC1CCC(=O)CC1 475497694 LJGHZPJCLWHAJG-UHFFFAOYSA-N 291.435 3.731 30 20 CHED N#CC1CCN(C(=O)c2ccc(C3=CCCC3)cc2)CC1 290264610 VOHCDVJSBLNLGU-UHFFFAOYSA-N 280.371 3.630 30 20 CHED CC#CCN(C)C(=O)C1(Sc2ccccc2)CCCC1 561699470 JMBJHKVDRUVKAL-UHFFFAOYSA-N 287.428 3.573 30 20 CHED C[C@H](C#N)OCCSCc1cccc(Cl)c1F 802751657 KMOSCBMPIWAUEH-SECBINFHSA-N 273.760 3.641 30 20 CHED CC#CCN(C)C(=O)N[C@H](CC)c1ccc(Cl)s1 297278420 PGFSBTJZRASPMF-SNVBAGLBSA-N 284.812 3.517 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)s1 809105492 NLBKEEVSIJGTKA-BETUJISGSA-N 283.352 3.723 30 20 CHED C=C(Cl)CN(Cc1ccc(OC)cc1OC)CC1CC1 800501821 ZQEDOAHDZXDARW-UHFFFAOYSA-N 295.810 3.668 30 20 CHED C=CCCC1(C(=O)N2CCc3ccc(Cl)cc3C2)CC1 476543226 UWCHEEMNVDSOSY-UHFFFAOYSA-N 289.806 3.971 30 20 CHED CCOc1ccc(/C=N\[C@@H]2c3ccccc3O[C@@H]2C)c(O)c1 809144511 NYWSJAWOTRSNRT-BVLCAIDUSA-N 297.354 3.732 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1COc2ccc(Cl)cc21 474879830 OOLISKQNGPMUOL-CQSZACIVSA-N 291.778 3.658 30 20 CHED CC(C)(C(=O)O[C@H]1C=CCCC1)c1cc(F)cc(C#N)c1 803923888 CNZDIBDQCYGZAA-HNNXBMFYSA-N 287.334 3.627 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)[C@H]1CC[C@H](C#N)C1 293927554 YMNSJWDUOSVWPZ-JQWIXIFHSA-N 266.747 3.603 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 297528050 HZNORIHBIZRZSI-OAHLLOKOSA-N 294.345 3.560 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cc(C)ccc1C 806084028 WZRSSPMAHRMCCK-UHFFFAOYSA-N 292.382 3.971 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCOc1ccccc1C 488858868 OYOYRVVARUAJQU-MRXNPFEDSA-N 287.403 3.721 30 20 CHED C=CCN(C)C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 488894404 CBRJBKHTRSBSTG-KGLIPLIRSA-N 257.377 3.620 30 20 CHED O=[N+]([O-])c1ccccc1NN=CCC1CCCCC1 814685130 CJSVRISQBYRBHV-UHFFFAOYSA-N 261.325 3.963 30 20 CHED Cc1cc(SCCO[C@@H]2CCCCO2)ccc1C#N 568749860 XNPWRSOCBNCERE-OAHLLOKOSA-N 277.389 3.502 30 20 CHED CCOc1ccc(NN=C2CCC[C@H]2CCOC)cc1 814985422 GDAWESQLLXIVMQ-ZDUSSCGKSA-N 276.380 3.690 30 20 CHED C=CCCCCCCCNC(=O)N1CC=C(C)CC1 812493299 DRWIIECZBGNBCW-UHFFFAOYSA-N 264.413 3.875 30 20 CHED CC#CCCOC(=O)[C@H](C)c1cccc(Br)c1 812608995 WZENPCIVHSFAKA-LLVKDONJSA-N 295.176 3.509 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2ccccc2F)CC1 567681130 ZXZZMCSJTQUMSV-UHFFFAOYSA-N 275.367 3.744 30 20 CHED CCc1nc([C@@H](C)NCc2ccc(C#N)c(C)c2)cs1 488266229 OKTOBBHRPDLJIL-GFCCVEGCSA-N 285.416 3.736 30 20 CHED C#Cc1ccccc1Cc1nc(-c2cc(F)ccc2C)no1 810280377 TWEYFDOYPVLIHN-UHFFFAOYSA-N 292.313 3.756 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CCC[C@@H](OC)C2)C(C)C)c1 815604348 MBFXEMCLKUGCHI-SJLPKXTDSA-N 299.414 3.615 30 20 CHED Fc1ccc2oc(C=NOC/C=C\Cl)cc2c1 811671119 OLFZWMQVXNQFQV-FJGBEHJYSA-N 253.660 3.675 30 20 CHED CC[C@@H](C)c1ccccc1OC(=O)c1cccc(C#N)n1 810524189 KZTHFODRYRBEPO-GFCCVEGCSA-N 280.327 3.686 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H]1CCCc2ccc(OC)cc21 653784488 STLFPNHSMHJFED-ZBFHGGJFSA-N 287.403 3.586 30 20 CHED CC(=NNC[C@H]1CCSC1)c1c(F)cccc1Cl 811658619 HSFANZMWYPAMRG-SNVBAGLBSA-N 286.803 3.546 30 20 CHED C=CCCCCNC(=O)c1ccc(C(F)F)cc1F 653751026 FIFSXCLAIBLOPT-UHFFFAOYSA-N 271.282 3.849 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1ccccc1CC#N 574550877 ASNFVQLCSILXCM-ZDUSSCGKSA-N 258.365 3.763 30 20 CHED C=C[C@H](CO)N[C@@H](C)c1ccc(SC2CCCC2)cc1 658334814 FFTUIWPTOKLJDP-DZGCQCFKSA-N 291.460 3.919 30 20 CHED C=CC[C@H](C)NCc1cn(-c2cccc(C)c2)nc1C 651713503 SPIXSQTUWANXSE-AWEZNQCLSA-N 269.392 3.543 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cc(F)c(N)c(F)c1 814885018 JDJUMNNPOPCBFP-UHFFFAOYSA-N 293.292 3.831 30 20 CHED C#Cc1ccccc1CC(=O)N(CCCC)[C@H](C)CC 812894168 GOLRREXGTAMACI-OAHLLOKOSA-N 271.404 3.638 30 20 CHED Cc1c(C(=O)OC2(CC#N)CCC2)oc2c(F)cccc12 810860022 ZCYFBWHTRMKQPL-UHFFFAOYSA-N 287.290 3.874 30 20 CHED Cl/C=C\CON=Cc1ccc(OCC2CC2)cc1 811671379 DJUDQRTUASWEDR-NDKHPSTRSA-N 265.740 3.578 30 20 CHED C=C(C)CN(C)C(=O)CCc1c(Cl)cccc1Cl 653742276 WYDGNSOVMBMCAE-UHFFFAOYSA-N 286.202 3.961 30 20 CHED COc1ccc(C#N)cc1CNC(C)(C)c1ccccc1C 576840244 DTWWQMHWFMBMHW-UHFFFAOYSA-N 294.398 3.900 30 20 CHED C[C@]1(CNc2ccc(C#N)cc2)CC1(Cl)Cl 828792004 ZWASHQVVKOKUFN-LLVKDONJSA-N 255.148 3.554 30 20 CHED C=CCCCCN[C@H](C(C)C)[C@@H](O)c1ccccc1 829634932 OOEYMAHHXMUZLR-SJORKVTESA-N 261.409 3.691 30 20 CHED CSCC[C@](C)(C#N)NC(=O)CCCCC(C)(C)C 574075898 BBLGUXZHWWIOQF-OAHLLOKOSA-N 284.469 3.744 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc([C@H]2CCOC2)cc1 820853919 YDXKZYUADWPKOC-AWEZNQCLSA-N 274.360 3.698 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(CC)c(Cl)c1 490834372 MGQFUJLTIWDNKJ-UHFFFAOYSA-N 266.772 3.942 30 20 CHED Nc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cn1 821021576 IQCDCEKZFSEADI-WEVVVXLNSA-N 274.323 3.713 30 20 CHED c1ccc(OCCCNN=C2CCCCCC2)cc1 729149719 OEBDJCJVNWHGMH-UHFFFAOYSA-N 260.381 3.755 30 20 CHED C#C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1F 491738330 WPNNYAILFVFJDS-QGZVFWFLSA-N 298.748 3.815 30 20 CHED COc1cc(/C=C2/Cc3c(C)cccc3C2=O)ccc1O 729151009 NTNAROWFHGYXSR-JYRVWZFOSA-N 280.323 3.532 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 821567893 ZAFPTBCZPBDXFU-LSDHHAIUSA-N 288.391 3.627 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(O)cc1F 729932498 CHKIYHSXUPYDQE-NSHDSACASA-N 272.323 3.606 30 20 CHED CCCCC[C@@H](/N=C/c1c(O)ccc2ccccc12)C(=O)O 829312680 YMXHZIQADLPHOG-PUMYGXPMSA-N 299.370 3.998 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(F)cc1C#N 495410662 YLLJNHLOEYWTRH-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CC)c2cccc(Cl)c2)nc1 728811197 SFWJDLSGJJKLNG-HNNXBMFYSA-N 298.773 3.597 30 20 CHED CCCCCCCCOC(=O)Cc1ccccc1O 725940074 WIMCYGAZBRDVBG-UHFFFAOYSA-N 264.365 3.838 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CCCC1CC1 589840579 FIRGNTVAODLGQO-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C=CCN(C)CCCOc1cccc2ccccc12 494700821 XMJJLEAZCTYLIW-UHFFFAOYSA-N 255.361 3.727 30 20 CHED N#Cc1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)cc1 729149795 GPZMFARTEMARRR-CHHVJCJISA-N 281.698 3.828 30 20 CHED N#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccn1 826715933 SZCHUZHJNBJGHV-OWCLPIDISA-N 297.402 3.545 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1ccccc1)CO2 737443562 KCKGSBLONBOETL-XNTDXEJSSA-N 264.324 3.962 30 20 CHED N#CCCCCCC(=O)NCc1ccc(Cl)cc1F 588164832 RNNUVBYHLKUVMX-UHFFFAOYSA-N 282.746 3.569 30 20 CHED COc1cccc(/C=C2/CCOc3ccccc3C2=O)c1F 588619116 KEVODLISBYPVOQ-QBFSEMIESA-N 298.313 3.883 30 20 CHED CC(=NNc1nccnc1Cl)c1cc(C)ccc1C 733079176 YKROBIOWEDFRGK-UHFFFAOYSA-N 274.755 3.583 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1coc2ccccc12 581089488 RNXJBMSEJVXTMK-UHFFFAOYSA-N 271.360 3.694 30 20 CHED N#CCc1cc(-c2ccccc2OC[C@@H]2CCOC2)cs1 904757694 KMIFXISOZDPFMQ-CYBMUJFWSA-N 299.395 3.896 30 20 CHED N#CCCCCCC(=O)Nc1ccc(-c2ncco2)cc1 588162784 DEFRWZJSSKQSFR-UHFFFAOYSA-N 283.331 3.754 30 20 CHED CCC(CC)Oc1ccc(C(=O)O[C@H](C)CC#N)cc1 835158818 LMESBWYSYRTMFE-GFCCVEGCSA-N 275.348 3.713 30 20 CHED Fc1cccc(F)c1NN=Cc1csc(C2CC2)n1 735615027 IDZYGHWMPVDJMD-UHFFFAOYSA-N 279.315 3.745 30 20 CHED C=C[C@](C)(O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 667674816 QTNRRRNLMXJPHE-LRDDRELGSA-N 293.432 3.761 30 20 CHED C=CCN(C(=S)N[C@H](CC)c1cccs1)C(C)C 734375021 RTXPNJULVRCRRW-GFCCVEGCSA-N 282.478 3.970 30 20 CHED CC[C@H](C)[C@@H](NC(=O)CCCCCC#N)C(F)(F)F 588978646 UEKSFOYKTSSSAF-CMPLNLGQSA-N 278.318 3.554 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cnc2ccccc2c1C 839037423 RDYVCURMCQHWLI-GFCCVEGCSA-N 267.328 3.502 30 20 CHED COc1ccc(Cl)cc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839059817 XQGUWGGSIZFMNH-JQWIXIFHSA-N 293.750 3.588 30 20 CHED C[C@H](CCCc1cccnc1)OC(=O)c1cccc(C#N)c1 835927161 PQDOINYYBNTQLG-CQSZACIVSA-N 294.354 3.521 30 20 CHED CC[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(F)(F)F 835655964 DJRAEWYYIQYUIT-CHWSQXEVSA-N 299.292 3.958 30 20 CHED Cn1ccc2ccc(NC(=O)CCCCCC#N)cc21 588164897 ZDBOANNKLSPTJD-UHFFFAOYSA-N 269.348 3.591 30 20 CHED N#CC1(CCCCOC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CCC1 909370718 MXWVVKDWZCDQDI-SOUVJXGZSA-N 275.392 3.830 30 20 CHED CC(C)(O)CCSCCCCC1(C#N)CCC1 901580282 VALLXAHZUDSFAP-UHFFFAOYSA-N 255.427 3.745 30 20 CHED C=CCC[C@H](N[C@@H]1CCCC[C@H]1c1ccccc1)C(=O)O 901692341 LKFMYDIBUGFEBT-BBWFWOEESA-N 287.403 3.722 30 20 CHED CC(C)c1ncc(C(=O)O[C@H]2CCC[C@H](C#N)C2)s1 839059127 YWQSSPIEALCGEY-QWRGUYRKSA-N 278.377 3.506 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 918541335 GHZXWIKMIQOEJQ-UHFFFAOYSA-N 295.383 3.746 30 20 CHED CC[C@H](C)C(C)=NNc1ccc(C(F)(F)F)cn1 915917667 JRUCCUJGSKEKKV-QMMMGPOBSA-N 259.275 3.934 30 20 CHED C=CCOc1cccc(CN(CCOC)C2CCCC2)c1 678155204 LIYLDSZKSJPJNY-UHFFFAOYSA-N 289.419 3.642 30 20 CHED C=CCN(C(=O)Nc1cc(Cl)ccc1N(C)C)C(C)C 737003651 LIFVGQRCIXKLPD-UHFFFAOYSA-N 295.814 3.834 30 20 CHED Cc1nc(NC(=O)c2ccccc2CC(C)C)ccc1C#N 839417220 RZMFBRZTFALRLO-UHFFFAOYSA-N 293.370 3.713 30 20 CHED CCCCOc1ccc(C(C)=NNCCC)cc1OC 915965706 XWPRYOAFNZHBDS-UHFFFAOYSA-N 278.396 3.598 30 20 CHED N#CC1(CCOC(=O)/C=C/c2cccnc2)CCCCC1 910185293 BILZYACRAOMHRU-VOTSOKGWSA-N 284.359 3.502 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(-c2ccc(C)s2)cs1 593456399 CKGWHLOMBUOHHQ-VIFPVBQESA-N 291.401 3.668 30 20 CHED C=C(CNC(=O)c1ccccc1Cl)c1ccccc1 672479598 WUJDDRFLIMTIAY-UHFFFAOYSA-N 271.747 3.783 30 20 CHED C#CCSCCNC(=O)Nc1ccc(CCCC)cc1 740426607 CKVFQHMQPADQIS-UHFFFAOYSA-N 290.432 3.517 30 20 CHED C=CCCC(=O)Nc1csc(-c2ccccc2)n1 672331327 MJRAMNZNKKYVMM-UHFFFAOYSA-N 258.346 3.715 30 20 CHED CCN(Cc1occc1C)[C@@H](C#N)c1ccccc1 595544202 NFIHKEHLJLMUOP-HNNXBMFYSA-N 254.333 3.675 30 20 CHED CCOc1cccc(/C=N\Cc2cc(C)ccc2OC)c1O 914558361 UXCUBFPDQKJKJJ-ODLFYWEKSA-N 299.370 3.727 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC(C)(C)C1CC1 594039252 PVUKKVBUWJBYRL-AWEZNQCLSA-N 298.430 3.679 30 20 CHED CCC[C@@H]1CCCCN1c1nc(C#N)c(Cl)s1 596198887 NAWXNNHASIAGDT-SECBINFHSA-N 269.801 3.827 30 20 CHED C=C[C@@H](C)ONC(=O)CCc1ccc(Cl)c(Cl)c1 846550152 LFZVUQKSWRXWII-SECBINFHSA-N 288.174 3.548 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC(c2ccc(O)cc2)CC1 595289256 OODFMWUGRIMMKI-IBGZPJMESA-N 292.382 3.836 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC(F)(F)CC2)c1 842519545 OAHHULLUAVSRLZ-UHFFFAOYSA-N 269.251 3.572 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)[C@H]1c1ccncc1 596595378 YRLVBHHIDSIZEE-SFHVURJKSA-N 291.398 3.731 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 593407347 RMDXTAMZYYQQKO-ZBFHGGJFSA-N 299.418 3.549 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ncoc1-c1ccccc1 678881886 XSVJFJYAVZLCDI-ZDUSSCGKSA-N 284.359 3.816 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1c2ccccc2C(C)(C)[C@H]1C 598275341 OMCGGCLGBMBCJL-GFCCVEGCSA-N 293.370 3.521 30 20 CHED C=C(C)CCOC(=O)c1cnn(-c2cccc(C)c2)c1C 744303821 YWDOLMPEFOVYOU-UHFFFAOYSA-N 284.359 3.612 30 20 CHED CSc1cc(C)c(C(=O)N[C@@H](C#N)C2CCCCC2)o1 597342778 RGDWHNKPFPVABA-LBPRGKRZSA-N 292.404 3.512 30 20 CHED CN(C[C@H]1CC=CCC1)C(=O)CC1(C#N)CCCCC1 597494522 MNZWNZYKSSVPOA-HNNXBMFYSA-N 274.408 3.665 30 20 CHED CC[C@@H](OCCn1cc(C)c(C#N)c1)c1ccccc1 593236544 OSNKARIVTOPHGU-QGZVFWFLSA-N 268.360 3.836 30 20 CHED CC[C@H](C#N)Sc1ccc(OC)c(Br)c1 919609824 ODWSPAYEFSNDOB-MRVPVSSYSA-N 286.194 3.852 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCc1ccccc1F 748920105 DTYPXTSIGISIHQ-UHFFFAOYSA-N 297.329 3.682 30 20 CHED CC(C)(C)n1cc(C=NNc2cc(F)c(F)c(F)c2)cn1 747642100 KAGTXYCNJJKFDO-UHFFFAOYSA-N 296.296 3.501 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)CCC=C(C)C 599984225 RKPBVDCNVLURAF-CYBMUJFWSA-N 250.386 3.567 30 20 CHED CC(C)C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 598600717 PYNWEQRCFIGXDU-SJORKVTESA-N 288.435 3.664 30 20 CHED Clc1ccc2c(c1)CCC2=NNc1cncc(Cl)n1 743435271 CRVLCLUSRUAPMH-UHFFFAOYSA-N 293.157 3.546 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1CCc2cc(F)ccc21 590574415 WKYICKNRAOOQGV-HNNXBMFYSA-N 267.307 3.500 30 20 CHED Cc1cccc(C=NNC(=S)Nc2ccccc2C)c1 915920639 HRPZKGIYQHCEAN-UHFFFAOYSA-N 283.400 3.624 30 20 CHED C=CC(C)(C)CNC(=S)Nc1cccc(Cl)c1 840794575 LTDPRXMKTZUMFC-UHFFFAOYSA-N 268.813 3.839 30 20 CHED C=CCN(CC(=O)Nc1sc(C)c(C)c1C)C(C)C 743841767 WBPPQUOSZRRULA-UHFFFAOYSA-N 280.437 3.508 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C\c1cccc(O)c1O 749929699 DGWBBURMCLXUFS-AKCQFSKZSA-N 279.405 3.581 30 20 CHED CC#CCCNC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 681538824 WKPLLGACTOLQPN-OAHLLOKOSA-N 290.407 3.874 30 20 CHED COCCOCc1ccc(NCC(C)(C)CCC#N)cc1 599011056 XLJJGZBOXJNUII-UHFFFAOYSA-N 290.407 3.591 30 20 CHED CCCCCCCC(=O)N[C@@H](CCO)c1ccccc1F 844051062 XMNBQTPTSZYUST-INIZCTEOSA-N 295.398 3.726 30 20 CHED Cc1c(C#N)c(N2CCC[C@@H](CC#N)C2)nc2ccccc12 596324928 GDDLFAIZIWAQMH-AWEZNQCLSA-N 290.370 3.545 30 20 CHED C[C@H](C#N)Oc1ccccc1NCC=C(Cl)Cl 849315987 OEIQMUAMSHHSPU-SECBINFHSA-N 271.147 3.708 30 20 CHED CC[C@H](CNCc1ccc(OC)c(C#N)c1)c1ccccc1 742366097 IFWCXFCVZDITCK-MRXNPFEDSA-N 294.398 3.850 30 20 CHED CN(CC1(C#N)CC1)c1ccc(-c2nccs2)cc1 846996268 QJPDLXTVUQWLQY-UHFFFAOYSA-N 269.373 3.550 30 20 CHED N#CCc1cccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)c1 597750894 FNSJEFLWWOWSOH-HOTGVXAUSA-N 282.387 3.908 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(Cl)nc1)C2=O 748999879 ZEOYIJCMAHXFSY-KPKJPENVSA-N 269.731 3.866 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CC=C(C)CC1 590360299 BCWBWMNEJBHUQZ-AWEZNQCLSA-N 256.349 3.868 30 20 CHED C#C[C@H](NC(=O)C1(CC=C)CCCC1)c1ccccc1 843641177 RZHCPKYPWOAHTA-INIZCTEOSA-N 267.372 3.614 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C2CC2)cc1 682087762 YMENQDIBEHHUSO-KRWDZBQOSA-N 273.376 3.731 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCc2sccc2C1 684928605 OPAHPUJKWMXLMT-ZDUSSCGKSA-N 278.421 3.561 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(C(C)(C)O)cc1 926349785 DZKKEUVMDNGTNB-BBRMVZONSA-N 261.409 3.919 30 20 CHED C[C@H]1CCCC1=NNc1nc(C(F)(F)F)cs1 755902196 AMYLVVSNWNLNAB-LURJTMIESA-N 263.288 3.750 30 20 CHED C#CCCCOc1cccnc1N[C@@H]1CC[C@@H](SC)C1 853386224 YLTWDPPNBYCUSA-ZIAGYGMSSA-N 290.432 3.570 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)OCc1ccc(C#N)cc1 920731416 WCLQWPVEQNUOLT-CZUORRHYSA-N 271.360 3.818 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1Oc1cccnc1 684939505 PVDOAAHFYWTQMY-CQSZACIVSA-N 296.370 3.958 30 20 CHED CCCCCCCNC(=O)NC[C@@H](C)c1ncc(C)s1 858113014 XRMUOJNZOFITHH-GFCCVEGCSA-N 297.468 3.825 30 20 CHED Cc1cccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccn2)c1 926616926 VNICBPAKBIVPDU-KVSKMBFKSA-N 291.398 3.761 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ncc(Cl)cn1 857223085 ICDGHYOCVQCEGW-UHFFFAOYSA-N 288.782 3.859 30 20 CHED C[C@@H](OC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)C(C)(C)C#N 850906528 LHEXVTKOHKTPKE-MQYQWHSLSA-N 263.381 3.684 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C\c1cccs1 851201905 CNILDUDFHDPNFT-ZADCQDASSA-N 263.362 3.633 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](CC)CC[C@H]2C)c1 854262487 FGXPUWQVGVQPOZ-UKRRQHHQSA-N 270.376 3.710 30 20 CHED COc1ccc(C2(N[C@H](C)CC(C)(C)C#N)CC2)cc1 925821378 MWLQSUVNPRQRIO-CYBMUJFWSA-N 272.392 3.602 30 20 CHED CC(C)(C)C1=CCN(Cc2ccc(OCC#N)cc2)CC1 759262418 DTGOSLHBLMXICN-UHFFFAOYSA-N 284.403 3.767 30 20 CHED C[C@H]1CCC[C@@H](C(=O)OCc2ccc(F)c(C#N)c2)C1 758951478 POQVVHNBINKFSQ-WCQYABFASA-N 275.323 3.567 30 20 CHED Cc1cc(NN=Cc2cc(Cl)ccc2Cl)ncn1 753701892 YGDXEVGTQYEFGU-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C[C@H]1CCC[C@H](C(=O)OCc2cc(F)ccc2C#N)C1 759361789 ZAWYFRUURXNRMK-RYUDHWBXSA-N 275.323 3.567 30 20 CHED COc1ccc(O)c(C=Nc2cc(C)cc(C)c2)c1 920942497 GTIYRWOHQLALTC-UHFFFAOYSA-N 255.317 3.768 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)Cc1cccc(F)c1 851209794 KALJFOGWTHAXSU-OLZOCXBDSA-N 291.366 3.876 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2CCc3c(OC)cccc32)c1 759643378 MICBLWNSSOUMML-YLRSXTQRSA-N 297.354 3.516 30 20 CHED CC[C@H](C)[C@@H](C(=O)Nc1ncc(C#N)s1)c1ccccc1 759132621 ZMKVTCUWSYJNLB-SMDDNHRTSA-N 299.399 3.783 30 20 CHED C#CC[C@H](NC(=O)N(CC)[C@@H](C)CC)c1ccccc1 853911843 WMDRCMLEQKJXSC-HOCLYGCPSA-N 272.392 3.581 30 20 CHED Cc1nc(-c2cccc(NC(=O)C#CC(C)C)c2)cs1 854258853 DVDRZYRMIVOQQW-UHFFFAOYSA-N 284.384 3.716 30 20 CHED C#Cc1ccc(NC(=O)N(CC)[C@H](C)C(C)C)cc1 934934831 BHLJLRHUEZZCDR-CYBMUJFWSA-N 258.365 3.566 30 20 CHED Cc1csc(NC(=O)N2CCC(C3CC3)CC2)c1C#N 931413502 XSBKVYBDJDCKIB-UHFFFAOYSA-N 289.404 3.582 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)s1 754673702 YATFIKHXJCKENA-UONOGXRCSA-N 294.464 3.520 30 20 CHED C#CCCOC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 753560856 JEKDTUDCXDLFCY-ZIAGYGMSSA-N 256.345 3.542 30 20 CHED C=CCOCSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 865362507 XLTZEVCTXHVLKS-AAEUAGOBSA-N 281.425 3.590 30 20 CHED C#CCOc1ccccc1NC(=O)N(C)c1cccc(C)c1 766241641 LZWVYIAAVCWEIP-UHFFFAOYSA-N 294.354 3.675 30 20 CHED N#CC1(CCCCN2C[C@@H](O)C[C@H]2c2ccccc2)CCC1 930716572 YUAZAXDKDJHMGM-ROUUACIJSA-N 298.430 3.658 30 20 CHED C#CCCCN1CCSC[C@@H]1c1ccc(Cl)cc1 766906584 RSPPWYMYMOTDKX-OAHLLOKOSA-N 279.836 3.843 30 20 CHED CC#CCCCC(=O)OCc1ncc(-c2cccs2)o1 767679401 HCMPGVLBBGBIDV-UHFFFAOYSA-N 289.356 3.640 30 20 CHED Cc1noc(C)c1C=NNc1c(F)cccc1Cl 769827158 PRSHKEDVOOUYEZ-UHFFFAOYSA-N 267.691 3.530 30 20 CHED C#CCCCN1CCC(c2nc3ccccc3s2)CC1 766894339 BHUZXRDSVGZGPT-UHFFFAOYSA-N 284.428 3.889 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 767043040 INTYHSUCEGUCGF-AWEZNQCLSA-N 283.415 3.792 30 20 CHED CCCCCCCNC(=O)c1c(C)nn(CCC)c1C 862358347 DKRFWKMGQKYXFD-UHFFFAOYSA-N 279.428 3.610 30 20 CHED C#CCOc1ccccc1-c1noc([C@H]2CC[C@H](C)C2)n1 762002648 YKSNLQPVCJAOST-STQMWFEESA-N 282.343 3.652 30 20 CHED N#C[C@H]1CCCN(Cc2c(Cl)oc3ccccc23)C1 932151560 KQASXWJWHMTWLQ-LLVKDONJSA-N 274.751 3.822 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(F)cc2ccoc12 930117316 KCGAVDHKMVLNKB-UHFFFAOYSA-N 261.296 3.610 30 20 CHED CC(C)(C)[C@H]1CCc2sc(C(=O)OCC#N)cc2C1 768750481 QFTXBZIWELQUGY-NSHDSACASA-N 277.389 3.579 30 20 CHED CCSc1ccccc1CN(C1CC1)[C@H](C)C#N 930974641 XNWHBNXNFVSUDI-GFCCVEGCSA-N 260.406 3.675 30 20 CHED C=CCCCCNC(=S)Nc1cccc(C)c1C 769760674 PHGSCLDNMYWOGQ-UHFFFAOYSA-N 262.422 3.946 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2nc3ccccc3n2C)C1 768360640 NVFLQHIKZKICPT-QWHCGFSZSA-N 270.380 3.797 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cnc(C)s1 761260042 CITVJDFWVOLYLK-UHFFFAOYSA-N 267.304 3.566 30 20 CHED CC#CCCOC(=O)CCOc1ccccc1C(C)C 765502874 OQFYPXASYKASER-UHFFFAOYSA-N 274.360 3.536 30 20 CHED CC(C)CNN=Cc1csc(Cl)c1Cl 761834020 LETHAGIEGKATIC-UHFFFAOYSA-N 251.182 3.634 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1cccc(COC(C)C)c1 878457584 WTNQGLPCEQSSKI-QGZVFWFLSA-N 288.391 3.535 30 20 CHED CCCOc1ccc(C(C)=NOC)c(OCCC)c1 767493204 YECWFUWNMPYZKX-UHFFFAOYSA-N 265.353 3.635 30 20 CHED CCC(=NNc1nc2ccccc2cc1C)[C@@H]1CCOC1 776783479 VCGCLPDWMAGNGL-CQSZACIVSA-N 283.375 3.758 30 20 CHED COc1ccc(C(C)=NNc2ccc3[nH]ncc3c2)c(F)c1 779817744 FXADKEZCHQQIME-UHFFFAOYSA-N 298.321 3.547 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1cccnc1N(C)C)C2=O 1117349957 FFSJATXUZDQODA-YYTPVVGHSA-N 292.382 3.839 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 776375875 OUKKNLBGRYFPRV-WDEREUQCSA-N 291.313 3.838 30 20 CHED N#Cc1ccc(-c2nnc([C@H]3CCCCC3(F)F)o2)cc1 1118430108 MCSYKXDXPAOOGK-GFCCVEGCSA-N 289.285 3.901 30 20 CHED N#CCc1cccc(N[C@@H]2C[C@H]2C2CCCCC2)n1 1116839827 PXTYETSTDUMISC-LSDHHAIUSA-N 255.365 3.528 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@]1(C)CCCO 776167553 BJCSHQZKYSTBNB-QGZVFWFLSA-N 298.471 3.684 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1csc(C#N)c1 1117798342 QWDCJJSOHWGYNK-BXUZGUMPSA-N 276.405 3.661 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@H](O)c1cccc(F)c1 770389762 XCCSZOMBBRLYDI-DYVFJYSZSA-N 295.398 3.724 30 20 CHED C#CCCN[C@@H](C)c1ccc(OCCCCC)c(OC)c1 775113723 VURJEZKDIMJSOI-HNNXBMFYSA-N 289.419 3.938 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)Cc1ccccc1C 779855307 ACEIIQDLAGOKFL-INIZCTEOSA-N 271.404 3.626 30 20 CHED C=C(C)CNC(=S)N[C@H]1CCc2ccc(C(C)C)cc21 777496768 UKBPSQDZBFBCLU-INIZCTEOSA-N 288.460 3.838 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCCC(=O)c1ccccc1 1120733201 IRSDRBLQCSLEMI-QGZVFWFLSA-N 299.414 3.997 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)[C@H](C#N)c1cccc(F)n1 1122728594 BZMVVKSNCFPGBA-CYBMUJFWSA-N 297.333 3.538 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2nccc(C)n2)cc1 889004305 YASQKXCOTWBVRZ-UHFFFAOYSA-N 295.386 3.993 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cncs2)cc1 787171195 ISNCSCSPJIUHQA-VMPITWQZSA-N 273.357 3.828 30 20 CHED N#Cc1cc(COC(=O)c2csc(Cl)c2)ccc1F 786346368 CFZQQERTPIAFJF-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CCC[C@@H](C)N(C)C(=O)Nc1ccccc1O[C@@H](C)C#N 780671748 UGZMZIFJFALWPD-OLZOCXBDSA-N 289.379 3.630 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cccc(F)c1F 785753149 IYPLTAHEJGCICO-AWEZNQCLSA-N 254.276 3.610 30 20 CHED COc1cc2ccccc2cc1CN1CCC[C@H](C#N)C1 896501569 ATHLEHLMUUUSPN-CQSZACIVSA-N 280.371 3.584 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cn(C)nc2C2CC2)cc1 899340577 FWPLMWAZUADNSX-DHZHZOJOSA-N 296.370 3.592 30 20 CHED C(=NNc1nc2ccccc2[nH]1)c1ccc2cnccc2c1 782127636 OTRWITOCGVCRQF-UHFFFAOYSA-N 287.326 3.557 30 20 CHED CCSc1ccccc1C(C)=NNCCc1ccncc1 789098351 VOXJMRGWLBTDSS-UHFFFAOYSA-N 299.443 3.750 30 20 CHED CCC(=O)N1CCc2ccc(NCC(C)(C)CCC#N)cc21 897769063 DWOWMOLNBJUKCH-UHFFFAOYSA-N 299.418 3.728 30 20 CHED Cc1cccnc1NN=Cc1c(C)[nH]c2ccccc12 790187667 ZBSQFNYOOKPGRA-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C[C@@H](OC(=O)c1occ2c1CCC2)c1ccc(C#N)cc1 797098762 GJOGEAZMSFGSRP-LLVKDONJSA-N 281.311 3.558 30 20 CHED CC(C)n1nccc1/C=C1/Oc2c(Cl)cccc2C1=O 794943622 ZFLNOWBLQSOQRI-MDWZMJQESA-N 288.734 3.734 30 20 CHED CC[C@H](C)NN=C(C)c1ccc(OC)cc1Br 790182874 MUSSOOKSMBMIOD-VIFPVBQESA-N 299.212 3.570 30 20 CHED C[C@H](C=NNCCC(F)(F)F)CCc1ccccc1 794552162 IYBMBDHOPLDEPU-LBPRGKRZSA-N 272.314 3.783 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccc2ncccc2c1 794835427 XBBHVSOCGHKPKA-XDHOZWIPSA-N 292.338 3.568 30 20 CHED CC[C@H](SC)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567425 HUYRTJHTQCKDMR-UWVGGRQHSA-N 296.461 3.758 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccnn1C(C)C)CO2 794936286 DEMFQWPBJAKIFW-NTEUORMPSA-N 296.370 3.740 30 20 CHED CC(C)CC(=NNc1cccc(Cl)n1)c1ccccn1 793174174 JGIXQKQQJJMRLW-UHFFFAOYSA-N 288.782 3.992 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@](C)(CC)c1ccccc1 798407528 BKBKOKVWWJWELF-RDJZCZTQSA-N 274.408 3.966 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CCCCCCC1 797877921 GKJBHGPEPFYYFG-ZBFHGGJFSA-N 251.414 3.670 30 20 CHED C#CCC(C)(C)C(=O)NCC1(c2ccc(C)c(C)c2)CCC1 790081228 JYZQDHASTLMBHZ-UHFFFAOYSA-N 297.442 3.891 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC)CCCCC 798041125 XVOFBGYGDAGTCT-PMPSAXMXSA-N 281.440 3.690 30 20 CHED C=CCCC(CC)=NNc1cccc(F)c1[N+](=O)[O-] 790311110 WWWIMASXZAYMOC-UHFFFAOYSA-N 265.288 3.878 30 20 CHED CC1(CNN=Cc2cnc(C3CC3)s2)CCCC1 793080501 AXBJDVAJZHWDQB-UHFFFAOYSA-N 263.410 3.524 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc3c(c2)CCC=C3)c1 793467121 TVSCGQXPBNIDFR-UHFFFAOYSA-N 287.362 3.904 30 20 CHED CCCCCCCCN1CCC[C@@H](CCC(=O)O)C1 109514815 AEPLGKZREQTAOK-HNNXBMFYSA-N 269.429 3.924 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)ccc1Cl 135026152 WDKXZTCDCSTIBY-HNNXBMFYSA-N 290.794 3.851 30 20 CHED C[C@H](c1ccccc1Cl)N(C)Cc1ccc(C#N)cn1 584816368 OXOXCWHLWKFFPR-GFCCVEGCSA-N 285.778 3.800 30 20 CHED C[C@H](CCC#N)Sc1ccc(Br)cn1 188302073 PCCDFJSSBZZZNJ-MRVPVSSYSA-N 271.183 3.628 30 20 CHED CCCCCCCCC(=O)NC[C@@H](O)c1ccccc1 59250563 ZPXGYCPPCIXMPP-MRXNPFEDSA-N 277.408 3.587 30 20 CHED COc1sc(C=NOC(C)(C)C)cc1Br 1320326250 XUSBERILCGNIBT-UHFFFAOYSA-N 292.198 3.668 30 20 CHED C=CCCCc1nnc(COc2ccc(C)c(C)c2)o1 1327786302 SDKVVWUZQQJSFO-UHFFFAOYSA-N 272.348 3.774 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)c1csc(C#N)c1 1324643627 DKLITVLWPABLRX-MRXNPFEDSA-N 296.395 3.906 30 20 CHED C[C@@H]1CC[C@H](Cc2nnc(-c3cccc(C#N)c3)o2)C1 1322411114 BBSBOTDFPVYUTA-NEPJUHHUSA-N 267.332 3.587 30 20 CHED CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1Nc1cc(C)c(C#N)cn1 1185979793 UKLPVXLOEAQCJL-WQVCFCJDSA-N 287.407 3.513 30 20 CHED COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)ccc1F 1335666513 MZWGZCWDYJSAAL-FNORWQNLSA-N 288.322 3.508 30 20 CHED Cc1ncsc1CNc1ccc(C(F)(F)F)cc1C#N 71213617 ONTYBUMJNRURHY-UHFFFAOYSA-N 297.305 3.954 30 20 CHED COc1ccc(CNc2ccc(C)cc2C)cc1C#N 87822226 HPRZVEQRAWYMHH-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CC[C@@H](SC)C(=O)N(c1cccc(C#N)c1)C1CCC1 1331469367 RZAOYVDYGDVHLT-OAHLLOKOSA-N 288.416 3.585 30 20 CHED N#CCOc1cccc(CN[C@H]2CCC[C@@H]2CCCF)c1 1344652229 XFNOMFZAILKHOP-WBVHZDCISA-N 290.382 3.597 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1ccc(C#N)s1 135672564 PFYOBJVKFGPFRH-GFCCVEGCSA-N 286.400 3.788 30 20 CHED CCCC[C@H](C(=O)[C@@H](C#N)c1cc(C)nc(C)n1)C(C)C 1263296940 XBDOWZJRAXTPIR-GJZGRUSLSA-N 287.407 3.732 30 20 CHED N#CC1(CC(=O)OCC=C(Cl)Cl)CCCCC1 1346828858 MLGQOFOVOGHFOC-UHFFFAOYSA-N 276.163 3.713 30 20 CHED C[C@@H](C#N)N(Cc1cnc(-c2ccccc2)s1)C1CC1 1350385692 JBGAEWKFSVXIBO-LBPRGKRZSA-N 283.400 3.687 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 1356511846 KGYOMYZWBKPOHG-WCBMZHEXSA-N 299.252 3.718 30 20 CHED C[C@@H](CC1CCCC1)C(=O)O[C@@H](CC#N)c1ccco1 1350311376 JZIIJPJNXOGNLT-WFASDCNBSA-N 275.348 3.994 30 20 CHED CCCc1ccc(C(=O)Nc2cccc(C#N)c2)s1 1351936413 AVGDRVDZDRAYOR-UHFFFAOYSA-N 270.357 3.825 30 20 CHED Cc1ccccc1C1(C(=O)N(C)[C@@H](C)CC#N)CCCC1 1518825170 NAMOECUZYCZSAQ-HNNXBMFYSA-N 284.403 3.567 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](Nc2nccnc2C#N)C1 1458428926 BYURVLRCENGMQN-CWRNSKLLSA-N 292.386 3.733 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1cc(C#N)cs1 1520757179 RQHPPQWECHJTPW-CYBMUJFWSA-N 276.405 3.661 30 20 CHED CC[C@H](C)[C@H](C)N(Cc1ccc(C#N)cc1OC)C1CC1 1473156559 WUPNDUYJVQTWDA-KBPBESRZSA-N 286.419 3.966 30 20 CHED Cc1cc(NC[C@@H](C)c2nc3ccccc3o2)ncc1C#N 1612779797 BSQWDRYRSBAARL-GFCCVEGCSA-N 292.342 3.619 30 20 CHED CCOc1ccc(C#N)cc1NC[C@@H](OC)C1CCCC1 1560744383 LIOKFGZAAQBBHI-QGZVFWFLSA-N 288.391 3.574 30 20 CHED Cc1cc(C)nc(CSc2nc(C)cc(C)c2C#N)c1 1640622268 XGGLDLWSTPIYIO-UHFFFAOYSA-N 283.400 3.874 30 20 CHED CCCCCCCOc1ccc(-c2nn[nH]n2)c(Cl)c1 1577504627 BCQINCHIBUIZLM-UHFFFAOYSA-N 294.786 3.869 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2C#N)o1 1587282786 JFFAXSKIMZOUEO-SNVBAGLBSA-N 288.734 3.855 30 20 CHED C=CC[C@H](C(=O)O)N1Cc2ccccc2-c2ccccc2C1 1588731650 MHZGCJKYTMAJTL-GOSISDBHSA-N 293.366 3.699 30 20 CHED C=C[C@H](Sc1nc(C)c(C)n1C1CCCCC1)C(=O)O 1588714159 ACYJFYRKWYLJRR-ZDUSSCGKSA-N 294.420 3.736 30 20 CHED N#Cc1cnc(NCC2CCCCCCC2)c(F)c1 1655002045 IWKGJBXFDHNUPM-UHFFFAOYSA-N 261.344 3.865 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(F)c(C#N)c2)cc1C 1666733619 PURRTAMUJYSJPM-UHFFFAOYSA-N 297.333 3.983 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2cc3ccccc3o2)C1 1776159749 AVUCBKVTVYGOFM-GOSISDBHSA-N 299.370 3.676 30 20 CHED C=C(CNC(=O)N1C[C@@H](C)CCC[C@@H]1C)c1ccccc1 1682941022 OWLZBUIGTHPOAV-HOCLYGCPSA-N 286.419 3.920 30 20 CHED O=C(O)c1ccsc1C=NNc1c(F)cccc1Cl 1776055841 WPQPCUFPUGPJCT-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1683106628 KNJMAHAVYZVFJX-FXXCCUJSSA-N 298.430 3.518 30 20 CHED C[C@@]12CCCC[C@@H]1CC(=NNc1ccc(C(=O)O)nc1)C2 1776072837 QATJHMMHWOGNCO-BZNIZROVSA-N 287.363 3.538 30 20 CHED C#CCCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 150732779 SJZAFTMOVVEYFL-UHFFFAOYSA-N 298.342 3.748 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@H](C#N)c1ccccc1F 161305909 QCWUNWSZIRYCDJ-IUODEOHRSA-N 276.355 3.723 30 20 CHED CCCCCCCCCN1CC[C@H](C)C[C@@H]1C(=O)O 160069894 GHEGFVHVKNUKOY-LSDHHAIUSA-N 269.429 3.922 30 20 CHED CCCc1nc(CSc2ccc(C#N)cc2Cl)no1 163324476 JNSVIUOWJHOBKX-UHFFFAOYSA-N 293.779 3.839 30 20 CHED N#Cc1ccccc1COc1cccc(Cl)c1F 167124757 ZMBDQMGWWJNBOP-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C#Cc1cccc(N(C)Cc2nc(C(F)(F)F)cs2)c1 152393147 VFDPMQQUMQIEBH-UHFFFAOYSA-N 296.317 3.780 30 20 CHED C=C(C)CNC(=O)N(C)[C@H](C)c1ccccc1Cl 156403522 BNQORDFRSMLWQB-LLVKDONJSA-N 266.772 3.619 30 20 CHED C=C(C)CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C 154350281 PBJCLZGYIFCCBW-UHFFFAOYSA-N 297.402 3.610 30 20 CHED CCn1cc(C(=O)/C=C/C(C)=C\c2ccccc2)cn1 208022340 FVMKTPYUTKHOQS-POLRJCGMSA-N 266.344 3.745 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2C)C1 1644695313 RPCQDPBYUWVWCN-KRWDZBQOSA-N 256.393 3.879 30 20 CHED Cc1cc(CNCC2C(C)(C)C2(C)C)ccc1C#N 1657226185 UIUZJYJHYGUCCW-UHFFFAOYSA-N 256.393 3.639 30 20 CHED Cc1cc(F)c(CNc2cccc(CC#N)c2)c(F)c1 1657977631 FTHGDQTWVAMGOB-UHFFFAOYSA-N 272.298 3.951 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H](CCN)C1 115859408 VHXARNBXDPIPFX-INIZCTEOSA-N 282.472 3.715 30 20 CHED Cc1cccc(CN(C)Cc2ccc(F)c(C#N)c2)c1 229749126 ACYPSKKXUZUJRN-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C=CCCOCCNc1nc2ccccc2cc1C 229870974 LDTGLZICMMJQPJ-UHFFFAOYSA-N 256.349 3.548 30 20 CHED C=C(C)COCCNc1ccnc2cc(Cl)ccc12 125678488 QMEWBBCQMBPCOO-UHFFFAOYSA-N 276.767 3.893 30 20 CHED CCCc1ccccc1NC(=O)C1(C#N)CCCC1 32051697 YHXMVALDMKEUGD-UHFFFAOYSA-N 256.349 3.662 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1ccc(OCC#N)cc1 35257041 JTSWQSRSCBWQNQ-NVXWUHKLSA-N 272.392 3.647 30 20 CHED N#Cc1ccc(N2CCOc3ccccc3C2)cc1Cl 63013073 WKDCKCXDFNZASV-UHFFFAOYSA-N 284.746 3.611 30 20 CHED Cc1cc(C)cc([C@@H](C)Nc2ccc(C#N)nc2)c1 301509454 KCYYISWAURUBJK-CYBMUJFWSA-N 251.333 3.743 30 20 CHED CCc1cccc(NC(=O)Nc2cccc(C#N)c2)c1 195660536 ROFVMGGLPOKESK-UHFFFAOYSA-N 265.316 3.765 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(CC#N)C1CCCC1 308083423 BYPRQFIXJFNWAT-AWEZNQCLSA-N 264.413 3.744 30 20 CHED C#C[C@H](CCC)NC(=O)C1(c2cccc(Cl)c2)CCC1 700599567 FDZGCARULOHKOK-OAHLLOKOSA-N 289.806 3.680 30 20 CHED CC(C)CNc1cc(Br)c(C#N)cc1F 308937637 DDLNFLQILVPVED-UHFFFAOYSA-N 271.133 3.528 30 20 CHED CCCC1(C(=O)Nc2ccc(F)c(C#N)c2)CCC1 332449397 MYYPAMIBDDSPIM-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CC[C@H](NCCc1cccc(C#N)c1)c1ccsc1 453225074 UJWUNPMNAUEEHF-INIZCTEOSA-N 270.401 3.903 30 20 CHED N#CCc1cccc(NC(=O)CC2=CCCCC2)c1 456730291 LAKWTOXXQNUEDY-UHFFFAOYSA-N 254.333 3.582 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2csc(C(C)C)n2)c1 456967126 NYVUAPIMLDEPTE-UHFFFAOYSA-N 285.372 3.699 30 20 CHED C=CCC(C)(C)CNCc1ccc(C)c([N+](=O)[O-])c1 381789598 ZVXAHAIFQIQFNH-UHFFFAOYSA-N 262.353 3.595 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 714398253 XDNWOWJMHSXIPB-ZWNOBZJWSA-N 276.767 3.976 30 20 CHED O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 16406350 XBOLJWILOAGGKP-ZZXKWVIFSA-N 288.690 3.539 30 20 CHED C[C@H](Nc1ncccc1C#N)c1ccc(Cl)cc1 19924569 YVVXCGRSXIZHTH-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=CCOc1ccc(CNCc2ccccc2F)cc1 20091168 VIDQJQPZYJIKTD-UHFFFAOYSA-N 271.335 3.680 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cccc(Cl)c2)n1 41520393 FHRQYNQSHGHKJM-LLVKDONJSA-N 276.748 3.595 30 20 CHED N#Cc1cccc(COc2ccc([N+](=O)[O-])c(Cl)c2)c1 49302828 NMPWOZWEIQPWDP-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H]1CCCc2ccccc21 50165676 NNFUPZIIYQLEHQ-KRWDZBQOSA-N 284.403 3.505 30 20 CHED N#Cc1cc2ccccc2nc1NCc1ccccc1F 70287364 DKYKRORJSFUTDR-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C=CCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccccc1 74241112 BDJIJGALBNXMOD-ZBFHGGJFSA-N 273.376 3.553 30 20 CHED N#Cc1cc(Cl)ccc1NCC1(CCO)CCCC1 75064163 NTJRXSISRDVYDD-UHFFFAOYSA-N 278.783 3.566 30 20 CHED Cc1ccc(-c2csc(NC(=O)C(C)(C)C#N)n2)s1 77569060 WSASCDOFEHPKRC-UHFFFAOYSA-N 291.401 3.668 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCc1cccs1 78832711 PGHTWJAPZYLHFX-UHFFFAOYSA-N 283.278 3.646 30 20 CHED CC[C@@H]1CCCN(CCCOc2ccc(C#N)cc2)CC1 79054476 DYKUXWDRKFPKCK-MRXNPFEDSA-N 286.419 3.839 30 20 CHED C#CCCCCN[C@H](C)c1ccc(Br)s1 90397329 RZVVAEQFTUGUJW-SNVBAGLBSA-N 286.238 3.965 30 20 CHED CC(C)(CCC#N)CN(CC1CCC1)CC(F)(F)F 91863502 AGABWEJNJLHSNB-UHFFFAOYSA-N 276.346 3.981 30 20 CHED CCN(CC#N)Cc1ccc(-c2cccc(F)c2)s1 92399230 DENREGJTSXIHGE-UHFFFAOYSA-N 274.364 3.900 30 20 CHED N#CCCN(Cc1cc(Cl)ccc1F)CC1CC1 93091492 PWOGNFCDVOSLCJ-UHFFFAOYSA-N 266.747 3.605 30 20 CHED C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 104978742 XVQRYEFKGUMKCE-TVQRCGJNSA-N 277.755 3.522 30 20 CHED CC(C)(C)CN(CCC#N)Cc1nc2ccccc2o1 109812233 NLLJFAXFXBAGCI-UHFFFAOYSA-N 271.364 3.590 30 20 CHED CCCCCCCCCC(=O)N(C)Cc1ncc[nH]1 112639833 ANGGPLXNWVRQGJ-UHFFFAOYSA-N 265.401 3.509 30 20 CHED CC(C)CC[C@H](NC(=O)N1CCC(C#N)CC1)C(C)(C)C 115702085 VEDNXSRQKLCANA-HNNXBMFYSA-N 293.455 3.782 30 20 CHED Cc1ccccc1CCC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 116811239 FFMCGKCHLSAAQK-KSSFIOAISA-N 284.403 3.516 30 20 CHED C#CCCCCC(=O)N(CC)Cc1ccccc1Cl 119569087 YKVUEQVNUVWTJZ-UHFFFAOYSA-N 277.795 3.882 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC1CCCC1 119714294 BIYYTWOXUDANCZ-UHFFFAOYSA-N 257.377 3.782 30 20 CHED C[C@@H](c1ccco1)N(Cc1ccc(C#N)s1)C1CC1 119903449 NHWWZKFIGJWXGZ-NSHDSACASA-N 272.373 3.938 30 20 CHED N#Cc1csc(CNc2ccc(-n3ccnc3)c(F)c2)c1 121376971 VNEZQGPGQPZJEQ-UHFFFAOYSA-N 298.346 3.557 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1cccc(F)c1 121782876 MTZYZYXVVWMWBA-MDZDMXLPSA-N 286.302 3.739 30 20 CHED Cc1ccc([C@@H](O)CNc2cc(Cl)ccc2C#N)cc1 122623197 HSOQAVXKKIAYOV-INIZCTEOSA-N 286.762 3.666 30 20 CHED CCOc1ccccc1NCc1cc(C#N)ccc1OC 129245149 NGLHTRUTEYJDOK-UHFFFAOYSA-N 282.343 3.578 30 20 CHED N#Cc1cnc2ccccc2c1N1CCc2ccsc2C1 132403016 SAHOXMVJXASQDZ-UHFFFAOYSA-N 291.379 3.731 30 20 CHED C[C@@]1(C/N=C/c2cc(Cl)cc(Cl)c2O)CCCO1 132418459 PYWILTQUEADYTK-HFVKVNHUSA-N 288.174 3.687 30 20 CHED C=CCN(CC=C)C(=O)CS[C@H](C)c1cccs1 133955790 PARIHIBIUHLFMW-GFCCVEGCSA-N 281.446 3.743 30 20 CHED C=CCCC(=O)CSc1nccn1-c1cccc(C)c1 134671825 GAPCLMZSWIJLBO-UHFFFAOYSA-N 286.400 3.808 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)ccc1Cl 135024419 SZWQWXPKKAQNPR-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCOCC(=O)N[C@H](C)c1cccc2ccccc12 141339672 YVNPDAVJJGNHQY-CQSZACIVSA-N 283.371 3.610 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCCCSC)c1 151552884 YZVNOBHPQHFMTF-UHFFFAOYSA-N 275.417 3.554 30 20 CHED C=C(C)CNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 153028573 ZKDVBSIDLKYNKX-CQSZACIVSA-N 275.392 3.578 30 20 CHED N#CCC[C@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1 153463386 LMPQFUXGEFTALF-HOTGVXAUSA-N 268.360 3.504 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 153913300 JPWYXCINJXAERM-ZEGGKSINSA-N 284.186 3.788 30 20 CHED C[C@H]1CCCN(c2ccccc2OC[C@H](C#N)CCC#N)C1 154236338 JERINTPSKUHGPI-HOTGVXAUSA-N 297.402 3.745 30 20 CHED C=C(C)CSCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 155056070 DEBXUGYMMIREMT-NSHDSACASA-N 299.386 3.794 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCOC2(CCCCC2)C1 160555746 QLUUVFYEAKJWLK-INIZCTEOSA-N 291.435 3.753 30 20 CHED N#CCCCCN1CCC[C@@H]1CCc1ccccc1 160971412 VSKLOADKAMSBIU-QGZVFWFLSA-N 256.393 3.777 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 161273498 YGPKVLMZGXSHKG-OLZOCXBDSA-N 283.293 3.501 30 20 CHED C=CCN(C)C(=O)c1ccc(SC(F)(F)F)cc1 161355820 OYZPFACVILYMSD-UHFFFAOYSA-N 275.295 3.557 30 20 CHED C=CCN(C(=O)c1ccc2[nH]c(C)c(C)c2c1)C1CC1 162440235 RCGMNHDBBJTXFH-UHFFFAOYSA-N 268.360 3.575 30 20 CHED C=CCCC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 162706626 QBEOJODWYHPQOZ-FUHWJXTLSA-N 269.388 3.881 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1CCCc2sccc21 167009599 GDSMBHKXCDIVPZ-CQSZACIVSA-N 290.432 3.566 30 20 CHED CC(C)(C)Oc1ccccc1NC(=O)NCCCCC#N 172120370 SRLFIMFEBYWHGY-UHFFFAOYSA-N 289.379 3.679 30 20 CHED CCC[C@H](C)c1cc(NC(=O)C2(C#N)CCCCC2)[nH]n1 173328700 HMBCMMJXPZPOLM-LBPRGKRZSA-N 288.395 3.726 30 20 CHED CCOc1cc(C#N)ccc1OCc1cccc(Cl)n1 173684150 LKIWDEFAVUXFJR-UHFFFAOYSA-N 288.734 3.584 30 20 CHED COc1ccc(CNCc2cc3ccccc3o2)cc1C#N 174273294 KJRYZUQZXCDSSV-UHFFFAOYSA-N 292.338 3.603 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@@H](CC)C2)CC1 174363582 UJJHMTZIPAYBFY-WBVHZDCISA-N 264.457 3.585 30 20 CHED N#CCCN(Cc1cccnc1)C(=O)CC1CCCCCC1 175872232 GNRCKRRHECAWJZ-UHFFFAOYSA-N 299.418 3.684 30 20 CHED CC[C@@H](CNCC(C)(C)CCC#N)Oc1ccccc1F 176990311 YWRZAOZUQOMJFD-AWEZNQCLSA-N 292.398 3.903 30 20 CHED CCOc1cccc([C@@H](C)NCc2ccc(C#N)cc2F)c1 177858453 ANTPNVTZOAJUFL-CYBMUJFWSA-N 298.361 3.947 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(O[C@H](C)CC)cc1 178855680 MIOMXUYEDZDJFG-CQSZACIVSA-N 273.376 3.678 30 20 CHED CSc1ccccc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 179105744 VBUPRDLPLRADNA-LRDDRELGSA-N 288.416 3.611 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc(Cl)c(Cl)c1 179772241 IQBNMYKJBAWIOW-VIFPVBQESA-N 287.190 3.863 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cccc(-c3ccoc3)c2)C1 179887869 IMXBNGPRESBFDB-BLLLJJGKSA-N 281.311 3.796 30 20 CHED C=CCSCCN[C@H](C)c1cc(OC)c(OC)cc1C 180459505 BGHFVWIHCOKXLF-CYBMUJFWSA-N 295.448 3.582 30 20 CHED C=CCCSCC(=O)N1CCc2sccc2[C@H]1CC 182769240 OEHVOIZPDKZTNW-CYBMUJFWSA-N 295.473 3.893 30 20 CHED Cc1[nH]c2ccc(C(=O)OCC3(C#N)CCC3)cc2c1C 183884675 PZHZDUJLIYTWCA-UHFFFAOYSA-N 282.343 3.635 30 20 CHED CCc1nnc(-c2cccc(N[C@@H]3CCC[C@H](C#N)C3)c2)o1 185749304 XEVGBUOJGKAZKQ-GXTWGEPZSA-N 296.374 3.793 30 20 CHED CCCN(CC#N)Cc1ccc(OC(C)C)c(Cl)c1 187890396 FLXUBQOSLGLNHH-UHFFFAOYSA-N 280.799 3.863 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(-c2ccccc2)nc1C 187944938 VBJJMWGOYFJEKZ-OAHLLOKOSA-N 294.354 3.906 30 20 CHED CC(C)OC1CC(Nc2cccc(OCCCC#N)c2)C1 189468242 XXJZCXLQVRDUGN-UHFFFAOYSA-N 288.391 3.737 30 20 CHED C#CCCCC(=O)N[C@H]1c2ccccc2CCC[C@H]1C 190674937 DJESTUHKXBWQNY-RDTXWAMCSA-N 269.388 3.620 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](C)COCc1ccccc1 190973592 UTCYYEIJZQTNOP-YJBOKZPZSA-N 289.419 3.558 30 20 CHED CC(C)(C)n1cc(/C=C/C(=O)c2ccc(Cl)cc2)nn1 191204709 FFNHYTYLOSBIHG-CMDGGOBGSA-N 289.766 3.583 30 20 CHED CCN(C)c1ccc(/C=C/C(=O)c2cccc(C)c2)cn1 191225028 LXQATXQJNREGIY-CSKARUKUSA-N 280.371 3.742 30 20 CHED Cc1cnn(-c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2F)c1 193266490 KZFKUFQUWHZUNE-KGLIPLIRSA-N 298.365 3.814 30 20 CHED C=CCOc1cccc(NC(=O)c2coc(C3CCC3)n2)c1 194135918 GIDZEZZSWNCYOF-UHFFFAOYSA-N 298.342 3.759 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1ccc(SC)cc1 194843183 BCQGDUATPGRYCF-QWHCGFSZSA-N 294.416 3.994 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1 209181368 WSWOITTVTAVISO-FLIBITNWSA-N 279.339 3.850 30 20 CHED CCc1ccc(OCc2cccc(C#N)c2)c(OC)c1 220970791 IRBGGLFIYHEKGZ-UHFFFAOYSA-N 267.328 3.708 30 20 CHED O=C(/C=C\c1ccccc1)c1ccc(-n2cccn2)cc1 222225761 IMTZVUVLESLJAD-GHXNOFRVSA-N 274.323 3.768 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(C)ccc1Cl 232213832 UJMUJCSKMXXJMW-UHFFFAOYSA-N 264.756 3.917 30 20 CHED CCC(CC)[C@@H](CNCc1ccc(C#N)cc1)N1CCCC1 236671100 ZYQXOLIQVHSYET-LJQANCHMSA-N 299.462 3.548 30 20 CHED CC[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 247751403 ZGFXFPBYVVOQCM-MIMYLULJSA-N 297.185 3.515 30 20 CHED CC[C@H](CN[C@H]1CCC[C@@H](C#N)C1)Oc1ccccc1F 248802706 JURGUKTUHORNQD-QLFBSQMISA-N 290.382 3.655 30 20 CHED N#Cc1ccsc1NC(=O)/C=C\c1ccc(Cl)s1 254925714 CUYRAWPDCGAXBR-RQOWECAXSA-N 294.788 3.987 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cc(F)c(O)c(F)c1 255342604 MKIWMNULJORHHY-SREVYHEPSA-N 274.266 3.875 30 20 CHED COc1cccc(C=Nc2ccc3c(c2)C(=O)CCC3)c1O 255697604 WMIOQCPEYZJBED-UHFFFAOYSA-N 295.338 3.670 30 20 CHED N#CCc1ccc(NC(=O)/C=C\SCc2ccco2)cc1 255899720 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279217804 CLZWVWTYKCXHAA-UHFFFAOYSA-N 298.434 3.512 30 20 CHED Cc1ccc([C@H]2CCN(C(=O)CC(C)(C)C#N)C2)c(C)c1 279673558 LYIIFAFUXQCUTB-HNNXBMFYSA-N 284.403 3.559 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)CC 279919894 KJGCNCHQHBDTMP-AWEZNQCLSA-N 260.381 3.573 30 20 CHED Cc1coc(C)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1 284548460 PJYBDFCMLZTWSZ-UHFFFAOYSA-N 282.343 3.950 30 20 CHED CCOC1(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CCCC1 285593411 XEONKPZHACNEFN-ZDUSSCGKSA-N 287.359 3.512 30 20 CHED C=CCC[C@@H](NCCc1ccncc1)c1ccco1 286217764 SHEWNZGCPZKBLF-OAHLLOKOSA-N 256.349 3.514 30 20 CHED Cc1csc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1C#N 288896673 SNUPOPDIWUXNPI-MWLCHTKSSA-N 262.378 3.693 30 20 CHED N#CCCCC(=O)Nc1ccc2nc(C3CC3)sc2c1 292384762 QJPPXNGILFHDDA-UHFFFAOYSA-N 285.372 3.806 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccccc1OC(F)F 294485073 UKKLECXAVCASAN-JTQLQIEISA-N 283.318 3.677 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccsc2C)cc1 295213345 AHABBHLOASEIFV-HNNXBMFYSA-N 284.384 3.614 30 20 CHED Cc1cccnc1CCCN[C@@H](C)c1ccc(C#N)c(F)c1 296502349 PCJJTYMMORNZSC-AWEZNQCLSA-N 297.377 3.684 30 20 CHED CCn1ccnc1[C@H](C)N[C@@H](CCC#N)c1ccccc1 296970317 RMQNVOIZIHGUGW-HOCLYGCPSA-N 282.391 3.599 30 20 CHED CCOc1cccc([C@@H](C)Nc2cccc(C#N)n2)c1 301264724 HFZGKTUIGYRCMQ-GFCCVEGCSA-N 267.332 3.525 30 20 CHED N#Cc1ccc(N2CCC[C@H](c3ccccc3)CC2)cn1 301501259 GHEIWGWPXAEGDW-INIZCTEOSA-N 277.371 3.727 30 20 CHED CC1CCN(c2cccc(Nc3ncccc3C#N)c2)CC1 301523814 HYXNNTOIDKAOIS-UHFFFAOYSA-N 292.386 3.933 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1C[C@H]2CCC[C@H]2C1 301607133 NOYGDZUXGKVHCA-TXEJJXNPSA-N 297.789 3.996 30 20 CHED C=C(Cl)CNCc1csc(Cl)c1Cl 308201510 YQWRVILGDSFBKC-UHFFFAOYSA-N 256.585 3.897 30 20 CHED N#Cc1cc(F)cc(OCc2cccc3cccnc23)c1 313846207 RGKCPWOWXKLPLO-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C[C@H](NCc1ccc2cnccc2c1)c1ccc(C#N)cc1 319154875 XEPUQRBBZKGAKY-AWEZNQCLSA-N 287.366 3.957 30 20 CHED CC1(C)CN(CC(O)=Nc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 328866114 NSLLIKWLMCXSCP-HOTGVXAUSA-N 297.402 3.657 30 20 CHED O/C(CCc1nc(C2CCCC2)no1)=N/CC1CCCC1 329968654 UASDCJFRQNINON-UHFFFAOYSA-N 291.395 3.807 30 20 CHED N=C(O)CC1(/N=C(/O)C[C@H]2C=CCCC2)CCC1 330200858 XAXDNAFPOGLTCB-NSHDSACASA-N 250.342 3.537 30 20 CHED Cc1noc(C(C)C)c1/C(O)=N/[C@@H](C)c1cncc(F)c1 330804805 JCKIZLLEPQWYBK-VIFPVBQESA-N 291.326 3.706 30 20 CHED Cc1cc(CN2CCC(CC#N)CC2)cc2cccnc12 334777938 KSUOPGCDPHLOFR-UHFFFAOYSA-N 279.387 3.669 30 20 CHED CSc1cc(C)ccc1NC(=O)C1(C#N)CCCC1 334875521 ZLYKPTSCFBXGNP-UHFFFAOYSA-N 274.389 3.739 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(F)c(OC)cc1C 335213663 UAVCYDYADHPGKL-GFCCVEGCSA-N 292.354 3.715 30 20 CHED Cc1noc(C(C)C)c1C(=O)Nc1cccc(C#N)c1C 335226969 SJJMQCQSZDBILS-UHFFFAOYSA-N 283.331 3.539 30 20 CHED C[C@@H]1C[C@H](C(=O)N2CCC(CCC#N)CC2)CC(C)(C)C1 335501950 SUHFLMKWQMQUAU-ZBFHGGJFSA-N 290.451 3.991 30 20 CHED N#CC1(c2ccccn2)CCN([C@@H]2/C=C/CCCCC2)CC1 336511125 YBYCNHILAIFKFP-IOMDMTNGSA-N 295.430 3.828 30 20 CHED N#Cc1cc(NC(=O)[C@H]2CCCc3ccccc32)ccc1F 336852180 LFEVJROMJRXTKZ-INIZCTEOSA-N 294.329 3.756 30 20 CHED Cc1c(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccn1C(C)C 338803224 ZJKADKPVZJWIFA-CYBMUJFWSA-N 295.386 3.740 30 20 CHED C[C@H]1OCC[C@H]1SCc1ccc(C#N)cc1OC(F)F 339072940 GUZJTDNTMNJQDW-NOZJJQNGSA-N 299.342 3.570 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 339141956 VXMXKLJIQMQCCR-NXNVCVFFSA-N 281.403 3.748 30 20 CHED C=CCCC(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C 339400210 BLEJZNOXQVGIQF-UHFFFAOYSA-N 289.766 3.739 30 20 CHED C=CCN1CCC(N[C@@H](C)c2cccc(C3CC3)c2)CC1 340229999 DUCBBMWKSLCYSC-HNNXBMFYSA-N 284.447 3.865 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(C)CCC1 342451577 AFSFLRLDEQZULB-UHFFFAOYSA-N 289.423 3.559 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc([C@@H](C)OCC)s1 343246326 HPEVXPNMMZDKPE-VXGBXAGGSA-N 296.436 3.715 30 20 CHED CCCN(CC1(C#N)CC1)[C@H](C)c1ccccc1OC 343319398 ZZVTXXSSLDSTTP-CQSZACIVSA-N 272.392 3.772 30 20 CHED CCS[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 344726224 QREPDHKZHHDWSM-HUUCEWRRSA-N 292.423 3.851 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cc2ccccc2s1 346020338 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C=CCC[C@@H](NC(=O)NC[C@H]1CC12CC2)c1ccccc1 416706046 WQYRQXYAEVFSJR-HZPDHXFCSA-N 284.403 3.793 30 20 CHED CC(=O)c1ccc(CSCC2(C#N)CCC2)cc1 419515986 GEUZIYDJJORMAD-UHFFFAOYSA-N 259.374 3.816 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)c(F)c(F)c1 424676095 FNJRRGRASDTJSJ-UHFFFAOYSA-N 257.255 3.645 30 20 CHED C[C@@]1(CNc2cccc(Cl)c2C#N)C[C@H]2CC[C@H]1O2 425289635 ZTWZYWPOWWJHFE-KMUNFCNLSA-N 276.767 3.581 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2CC#N)cc1 425581235 KMCYLAKLHICYGH-DLBZAZTESA-N 290.366 3.803 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)CC(=O)c1ccccc1 426911524 KUJUQRFNPDRQFT-CQSZACIVSA-N 285.387 3.533 30 20 CHED CC(C)(C)CN(CC#Cc1ccc(Cl)cc1)CCC#N 427000651 OZPZWHKBWWNORS-UHFFFAOYSA-N 288.822 3.953 30 20 CHED Cc1c(C(=O)NCc2ccco2)sc2ccc(C#N)cc12 428007455 ACGFZFBGJNTSRP-UHFFFAOYSA-N 296.351 3.604 30 20 CHED Cc1cccc2c1CN(Cc1ccc(CC#N)cc1)CC2 429571282 XAOGGTRPKPMKTL-UHFFFAOYSA-N 276.383 3.619 30 20 CHED Cc1cc(N(C)CC(C)(C)C#N)c2ccccc2n1 432143040 KNZIWCZYGMHITJ-UHFFFAOYSA-N 253.349 3.529 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H]1CCCCN1C1CC1 433805247 MABUBXACENWRBO-AWEZNQCLSA-N 289.810 3.640 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@](C)(c2ccc(C)cc2)C1 435469613 KHXSVGLVDFLFCI-YJBOKZPZSA-N 286.419 3.633 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)[C@@H](C)C1CCCCC1 437734793 QZGPHENJVITEJI-NEPJUHHUSA-N 290.432 3.954 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(C#N)c1 437920854 HGFVHLFMMGYXDN-GFCCVEGCSA-N 299.296 3.657 30 20 CHED CCOC(=O)CCCCCSc1ccccc1C#N 439701757 XWUIRFDEBFUTJL-UHFFFAOYSA-N 277.389 3.774 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccc(Oc3ccccc3)nc2)C1 442782609 LJFZJXFGXOFZNT-GDBMZVCRSA-N 293.370 3.656 30 20 CHED CN(C)c1ccc(C(F)(F)F)cc1N[C@H]1CC[C@@H](C#N)C1 442871271 FFBQFVRDZVJKIQ-PWSUYJOCSA-N 297.324 3.876 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN(C)C[C@@H](C)C#N 443413398 CEYDIQQWLJWCHO-JTQLQIEISA-N 270.298 3.605 30 20 CHED C=CC[C@@H]1N(Cc2ccc(C)nc2)CCCC1(C)C 446830150 PABYKPGKHCTDJP-INIZCTEOSA-N 258.409 3.957 30 20 CHED C=CCC1(C(=O)N(CC)CC(F)(F)F)CCCCC1 448836966 QXAREVGWHPIKAH-UHFFFAOYSA-N 277.330 3.924 30 20 CHED C[C@H]1CCCN(C(C)(C)CNC2CCC(C)(C#N)CC2)C1 449094685 SXODXNAMONMHCC-HJOIGYKYSA-N 291.483 3.559 30 20 CHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1Cl 449349582 RLCHDQKKVQXWQL-CKYFFXLPSA-N 266.747 3.822 30 20 CHED C=CCC1(C(=O)N(C)C[C@H](C)c2nccs2)CCCC1 450578360 WURAGUIVFRXZMR-ZDUSSCGKSA-N 292.448 3.842 30 20 CHED C=CC(C)(C)C(=O)NCCCCc1ccc(F)c(F)c1 450724433 NQCYEGSXTXYLFG-UHFFFAOYSA-N 281.346 3.616 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 451225455 DUAFAUQLUPMMHH-QIBSRJKCSA-N 297.185 3.720 30 20 CHED C=C[C@@H]1OCC[C@H]1NC1c2ccccc2-c2ccccc21 451604337 GUWKVCPVZAKFRB-MSOLQXFVSA-N 277.367 3.690 30 20 CHED CCCn1ncc(NCc2cc(C#N)ccc2F)c1C1CC1 453156189 WDYSAAXOSAPAED-UHFFFAOYSA-N 298.365 3.793 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(OCc2nccn2C)cc1 453312466 HAQFCYQDOZGQBW-HNNXBMFYSA-N 299.418 3.616 30 20 CHED CO[C@H](C1CC1)[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 453364405 LOWNQBHPWXBVTC-BKTGTZMESA-N 298.430 3.729 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2c1[nH]c1ccc(C)cc21 453375476 WYQSNLDADHINLH-SQNIBIBYSA-N 296.414 3.787 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C)cc1Cl 454160084 FKPBGAYHMBUFDL-UHFFFAOYSA-N 266.772 3.982 30 20 CHED C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 454214634 RMEYEGMQVAMKHE-WMLDXEAASA-N 298.430 3.822 30 20 CHED CC(C)[C@H]1CN(C(=O)c2ccc(CC#N)cc2)[C@H]1C(C)C 456319557 GBLCYDUXKDOIAG-SJORKVTESA-N 284.403 3.505 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](C)Oc2ccc(F)cc2)n1 463073040 UHLIUBFZBVXESS-CYBMUJFWSA-N 299.349 3.589 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OCC)c(F)c1 466403304 DIPJUDNETPXFQV-LLVKDONJSA-N 280.343 3.701 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 467897981 IBVRLPGECCUTFC-YVEFUNNKSA-N 293.357 3.883 30 20 CHED CC(C)(C)[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 468282180 OYHYKSIZNDPGEN-OAHLLOKOSA-N 260.356 3.708 30 20 CHED CC(C)(NCCCOc1cccc(C#N)c1)c1ccccc1 477142885 VXJSMHJRIHEADW-UHFFFAOYSA-N 294.398 3.852 30 20 CHED COc1cc(NC(=O)Nc2cccc(C#N)c2)c(C)cc1C 478929015 JCLZLXUCKXOFJY-UHFFFAOYSA-N 295.342 3.828 30 20 CHED C[C@H](C(=O)NC(C)(C)C(C)(C)C)c1cccc(C#N)c1 480736923 RWURFHGHWPRTGQ-LBPRGKRZSA-N 272.392 3.603 30 20 CHED C[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1C#N 481027399 VDNUAYWGIOQSJK-NHYWBVRUSA-N 262.784 3.880 30 20 CHED CC(C)Cc1ccc(CCC(=O)N[C@@]2(C#N)CC2(C)C)cc1 484910153 LZKWHGXBMNTGSP-LJQANCHMSA-N 298.430 3.626 30 20 CHED CC(C)(CCC(=O)N[C@]1(C#N)CC1(C)C)c1ccccc1 484916458 DYTXNOLXYPIKNX-SFHVURJKSA-N 284.403 3.553 30 20 CHED C=CCCCCCS[C@H](Cc1ccc(F)cc1)C(N)=O 485576789 ZBYZLRLSBBJQIX-OAHLLOKOSA-N 295.423 3.702 30 20 CHED N#Cc1cc(Cl)cc(OCCCC2CCOCC2)c1 487286901 NDKUJHPYGQGXIU-UHFFFAOYSA-N 279.767 3.797 30 20 CHED CC(C)[C@@H](C)N(C)Cc1ccccc1C(C)(C)C#N 487359870 DZBXMVZCPNWUNS-CQSZACIVSA-N 258.409 3.964 30 20 CHED CCc1cccc(NC(=O)N(CC)CCC#N)c1CC 487629641 GWTGLZZYAJNQFT-UHFFFAOYSA-N 273.380 3.579 30 20 CHED C=C(C)CNC(=O)N[C@@H](CCC)CCc1ccccc1 488573658 BAYXQZRAMCYKPC-INIZCTEOSA-N 274.408 3.663 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1OCC1CC1 490020872 NSXQHNYSEHMBIX-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc2cc[nH]c12 495200217 INNOUONEPHPZBE-UHFFFAOYSA-N 280.371 3.992 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)C#N)c1ccc(Cl)s1 497478751 GKIAWTMXDLRXKV-VIFPVBQESA-N 299.827 3.702 30 20 CHED N#C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)C1CCCCC1 506534362 XKGVGMTVZKMHPQ-GOSISDBHSA-N 296.414 3.768 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCC[C@H]2CCCF)c1 510926432 CWZRXQJJOXPYNE-DLBZAZTESA-N 274.383 3.609 30 20 CHED CCC[C@](C)(CC)C(=O)NCC#Cc1cccc(F)c1 513125421 DXYPGHDJJGMJJZ-KRWDZBQOSA-N 275.367 3.510 30 20 CHED Cc1cc(SCCCO[C@H]2CCCCO2)ccc1C#N 514940093 XDJBLPJYHLPGQX-INIZCTEOSA-N 291.416 3.892 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2nc(C)c(C)o2)cc1 515340014 DORMSWLXDSXDNW-AWEZNQCLSA-N 272.373 3.827 30 20 CHED CC[C@@H]1c2ccsc2CCN1Cc1ccc(C#N)cn1 520483502 SJQPYVSYCKRGHA-OAHLLOKOSA-N 283.400 3.524 30 20 CHED C[C@H](N[C@@H](C)c1ncccc1F)c1cccc(C#N)c1 528036820 YLMBLPQNZWESOJ-RYUDHWBXSA-N 269.323 3.504 30 20 CHED C=C(C)[C@H](CC(=O)N1CCc2cccc(CC)c21)OCC 534425795 QWEMSXOMKOXCGQ-INIZCTEOSA-N 287.403 3.509 30 20 CHED CC#CCNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 534998008 NYSRQIHYRCKPDA-LJQANCHMSA-N 291.394 3.543 30 20 CHED Cc1cc([C@@H](Nc2ncccc2C#N)C2CC2)ccc1F 535355594 RKGKQAUGLDVTQB-INIZCTEOSA-N 281.334 3.964 30 20 CHED C=CC[C@H](CO)CNCc1ccc(-c2ccc(C)cc2)o1 537022256 FDUBAUJLYHUISK-HNNXBMFYSA-N 285.387 3.529 30 20 CHED C=C(CC)CN(CCCO)[C@H]1CCCc2ccccc21 538000241 KJEXZSBWASVSSY-SFHVURJKSA-N 273.420 3.715 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCO[C@H]1C(C)C)C1CC1 539119234 FUGFQLXJKVNCEK-ULQDDVLXSA-N 265.441 3.772 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1cc2ccccc2o1)C(C)C 539562499 BLYKYMQKXQRYTB-KDOFPFPSSA-N 287.403 3.904 30 20 CHED N#CCc1ccc(CSC[C@H]2CCCCO2)cc1 541292864 GTVXMCHYMITKAY-OAHLLOKOSA-N 261.390 3.555 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2C(=O)NC[C@H](C)C#N)cc1 543804086 LYEGSRFDLIOWFQ-PBHICJAKSA-N 299.418 3.816 30 20 CHED CC(C)(C)[C@H](NCc1ccc(CC#N)cc1)C(F)(F)F 545214643 JIIJNGQVQDEPPU-ZDUSSCGKSA-N 284.325 3.819 30 20 CHED CC(C)(C#N)CCN1CCC=C(c2ccccc2)C1 551404817 BAFOXSBAMPRBAX-UHFFFAOYSA-N 254.377 3.716 30 20 CHED CC1(C)CCCN(C(=O)Cc2coc3ccccc23)[C@H]1C#N 552195184 CMJUHPNIQGHVGY-INIZCTEOSA-N 296.370 3.516 30 20 CHED N#Cc1ccc(N2CCC=C(c3ccccc3)C2)c(F)c1 553592643 VTBGDKUYEOZDEV-UHFFFAOYSA-N 278.330 3.991 30 20 CHED Cc1cscc1C(=O)N[C@](C)(C#N)C1CCCCC1 555904275 JLNVUBYMOJMOAT-OAHLLOKOSA-N 276.405 3.649 30 20 CHED C=CCCN1CCCN(c2cccc(Cl)c2C)CC1 556533613 FVMLBPODENOSCL-UHFFFAOYSA-N 278.827 3.737 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OCC(F)F)cc1 560161834 DMTUHMTZHORBKR-UHFFFAOYSA-N 283.318 3.871 30 20 CHED N#Cc1cccnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 561358576 HRIBNFRYVPEVMO-KURKYZTESA-N 289.382 3.726 30 20 CHED CC(C)(C)c1cnc(CN2CCC(CCC#N)CC2)s1 564990929 PPHWIUZJVNXAIU-UHFFFAOYSA-N 291.464 3.956 30 20 CHED C=CCC1(c2nc(-c3ccc4c(c3)CCO4)no2)CCC1 568441952 RCZBDSKODRHTJI-UHFFFAOYSA-N 282.343 3.669 30 20 CHED CCC1(NC(=O)c2ccc(Cl)c(C#N)c2)CCCC1 571376119 DCSZBFQIFKEBMW-UHFFFAOYSA-N 276.767 3.664 30 20 CHED Cc1cccc(CN[C@H](C)c2ccc(C#N)cc2Cl)n1 577453093 ZRCRRMWVGKWEHJ-GFCCVEGCSA-N 285.778 3.766 30 20 CHED C=CCN(C(=O)c1ccc(F)c(C#N)c1)c1ccccc1 578918469 GOINOPDCYDPLBV-UHFFFAOYSA-N 280.302 3.530 30 20 CHED CC#CCCCc1nc(-c2ccc(N3CCCC3)cc2)no1 580244191 ZIAOZORYLPTRKJ-UHFFFAOYSA-N 295.386 3.683 30 20 CHED Cc1csc(NC(=O)N2CC(C3CCCC3)C2)c1C#N 580781866 JBFOHTQQWWJZGK-UHFFFAOYSA-N 289.404 3.582 30 20 CHED C=CCC(C)(C)c1noc(CCc2cccc(OC)c2)n1 582621613 MLAMQYQGFAQVTC-UHFFFAOYSA-N 286.375 3.717 30 20 CHED C=CCCCCSCc1cc(-c2cnn(C)c2C)no1 583615222 JHFYXLNHXQPZNA-UHFFFAOYSA-N 291.420 3.973 30 20 CHED N#CCC[C@H](C#N)CN1CCC(=Cc2cccc(F)c2)CC1 584728683 TYWCCVNFWARFFX-QGZVFWFLSA-N 297.377 3.748 30 20 CHED CCS[C@H]1CC[C@H](N(C)C(=O)CCCCCC#N)C1 588649742 CFIXSDVMGKCWAF-KBPBESRZSA-N 282.453 3.593 30 20 CHED Cc1cccc(CN(C)CCOCc2ccc(C#N)cc2)c1 588980485 NXTNHXYHZMSPEO-UHFFFAOYSA-N 294.398 3.515 30 20 CHED CCCCN(C(=O)c1cccc(C#N)n1)[C@H]1CCC[C@H](C)C1 590518079 QLCHLZFHZSXGJJ-HOCLYGCPSA-N 299.418 3.774 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](C)c1cccc(C#N)c1 590673080 ODQAYWQYYIYRII-JQWIXIFHSA-N 298.308 3.714 30 20 CHED COc1cccc(-c2ccc(OC)c(C3(C#N)CC3)c2)c1 592986129 UDZMNSXFHFEAMQ-UHFFFAOYSA-N 279.339 3.926 30 20 CHED COC(=O)C[C@@H](C)c1ccc(-c2ccc(C#N)s2)cc1 592987809 DATQEPHUOKUAIK-LLVKDONJSA-N 285.368 3.953 30 20 CHED CC[C@H](C#N)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 593537415 COZRJEWGDKNZIJ-IAQYHMDHSA-N 292.329 3.568 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 593569158 XGFVQTWAZSDOFX-GUYCJALGSA-N 284.403 3.853 30 20 CHED CC(C)C[C@H](C)NC1CCN(Cc2cccc(C#N)c2)CC1 593692368 DQIUYGXQWKCEFW-INIZCTEOSA-N 299.462 3.547 30 20 CHED CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)c1ccccc1 593948305 IYCRWIXFWGWUPD-OAHLLOKOSA-N 292.382 3.790 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCCc1ccc(C#N)cc1 595446361 CHOJMDWMVCDNHH-IAGOWNOFSA-N 288.460 3.755 30 20 CHED N#Cc1ccc(F)cc1CSCc1cc(C2CC2)no1 596403128 QKQKFGRGPNEHAM-UHFFFAOYSA-N 288.347 3.996 30 20 CHED Cc1cccc2[nH]c(CN(CCC#N)CC3CC3)cc12 596994544 CQMVQSDQIFONND-UHFFFAOYSA-N 267.376 3.602 30 20 CHED N#CCCCOc1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1 597159688 QKBQBJDFYRVGSX-WMZOPIPTSA-N 284.403 3.744 30 20 CHED CC(C)CCn1cccc1CN1CCC[C@@H](CC#N)C1 597173876 MMGCJCRRXJQETH-INIZCTEOSA-N 273.424 3.660 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2CCC3(CC2)CC3)cc1 597655980 HWLWITNCUSLKDX-QGZVFWFLSA-N 296.414 3.900 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)NCCc1ccc(C#N)cc1 597894760 UOCFXGUIRGBAFB-INIZCTEOSA-N 298.430 3.990 30 20 CHED Cc1csc(NC(=O)C[C@H](C)c2ccco2)c1C#N 602337642 YHMFOOHMGLUODX-VIFPVBQESA-N 274.345 3.654 30 20 CHED C[C@@H](CCC#N)CN[C@H]1C[C@H](c2ccccc2F)C1 602644405 CJFFPMNRTZNUQR-IHRRRGAJSA-N 260.356 3.601 30 20 CHED COC[C@H](C)N(CC1(CC#N)CC1)[C@@H]1CCc2ccccc21 602915348 BGRRIFHUIBGEAL-MAUKXSAKSA-N 298.430 3.705 30 20 CHED C[C@H](C#N)CN(C)CCCc1ccc(C(F)(F)F)cc1 610504283 GFYPFTNLXRBNNW-GFCCVEGCSA-N 284.325 3.729 30 20 CHED Cc1noc([C@H](C)Sc2ccc(Cl)cc2C#N)n1 610655205 UUMWWJLDEKVFOL-ZETCQYMHSA-N 279.752 3.756 30 20 CHED Cc1cc(C#N)ccc1Oc1ncc(Cl)s1 611565023 TZVJTHXAUCYVJC-UHFFFAOYSA-N 250.710 3.769 30 20 CHED CCc1ccc([C@@H](C)NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612092693 PTINQZKYEOVNPW-KDOFPFPSSA-N 299.418 3.645 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@](C)(C#N)C1 612167956 ZRODIGNZJMXFSH-NHYWBVRUSA-N 264.319 3.651 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2cccc3c2CCCC3)C1 612290009 FYYIKFVCDNYDRM-SFHVURJKSA-N 297.402 3.723 30 20 CHED C[C@@H](NC(=O)[C@H]1CCCC1(C)C)c1cccc(C#N)c1 613884884 VSFHENSIMOEYHQ-IUODEOHRSA-N 270.376 3.562 30 20 CHED C=CCCNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 617616976 QADYRNAHDIRWAV-LBPRGKRZSA-N 265.784 3.601 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(F)ccc2C)C1 617787699 VFNOSLCVUBPPEU-ZDUSSCGKSA-N 261.340 3.562 30 20 CHED N#C[C@@H]1CCC[C@H]1N=c1[nH]c2cc(Cl)cc(Cl)c2o1 618971918 HMJRHZMQMVLYQH-OIBJUYFYSA-N 296.157 3.661 30 20 CHED N#Cc1ccc(CNCc2cc(F)ccc2F)cc1Cl 619748364 BMWCXMSCWIYKBC-UHFFFAOYSA-N 292.716 3.780 30 20 CHED C=CCN(Cc1cccc2ccccc12)[C@H](C)COC 621317732 WOMSOQNSFMSEIZ-OAHLLOKOSA-N 269.388 3.863 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1cc(Cl)cc(Cl)c1 625698459 HRQJSZLARVPKGX-SECBINFHSA-N 272.175 3.617 30 20 CHED C=CCCCCN1CCC2(CC1)OCc1ccccc12 649351516 LNSZAEKTCZPGMP-UHFFFAOYSA-N 271.404 3.864 30 20 CHED C=CCCCCN[C@H](Cn1cccn1)c1ccccc1 649383754 MASRUFBQAYJBGE-QGZVFWFLSA-N 269.392 3.570 30 20 CHED C=CCC1(N[C@H](C)Cc2ccccc2C)CCOCC1 657633419 OPVRZFMZQSDZTB-MRXNPFEDSA-N 273.420 3.641 30 20 CHED C=CCC1(NCc2cnc(C(C)(C)C)nc2)CCCC1 657702300 IZBKOSKAAISNJE-UHFFFAOYSA-N 273.424 3.753 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC1CCN(C2CC2)CC1 657993891 MQPIVQNESBBXEQ-FUHWJXTLSA-N 276.468 3.585 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc2occc2c1 661124168 VXUWDOPZSBCTIA-CQSZACIVSA-N 272.348 3.587 30 20 CHED C=CCC1(N[C@H](CC)Cc2ccccc2)CCOCC1 668551916 ZUQDUPKMHSMAMK-QGZVFWFLSA-N 273.420 3.723 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCCc3sccc3C2)c1 680374794 YVOIUWSUNNYMEE-UHFFFAOYSA-N 296.395 3.775 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2cccc(C)c2)CCC1 684939846 WWRZAKQIFSZNHO-INIZCTEOSA-N 271.404 3.888 30 20 CHED C=C[C@](C)(CC)c1nc(CCc2ccc3c(c2)CCO3)no1 685374592 ZBMLVZFKIQWCPH-GOSISDBHSA-N 298.386 3.643 30 20 CHED CCCCCCCN[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 686221668 RHXBTKLKMAXYIK-AWEZNQCLSA-N 298.471 3.802 30 20 CHED C#CCN(C(=O)[C@H]1CCC[C@H](C)C1)C1CCCCC1 688892933 LTZACABEBOYLTA-GJZGRUSLSA-N 261.409 3.607 30 20 CHED C[C@H](CC(C)(C)C#N)NCC1CCC(F)(F)CC1 695789297 DOQSDJVZDDALTE-LLVKDONJSA-N 258.356 3.730 30 20 CHED N#Cc1cc(N2CCC(C3CCCCC3)CC2)ccn1 708862028 ZUJRWWBQBZHSJG-UHFFFAOYSA-N 269.392 3.750 30 20 CHED C=CCCC(=O)OCc1csc(-c2cccs2)n1 726650738 KNMBKVKEVQNEFC-UHFFFAOYSA-N 279.386 3.881 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCc2sccc21 726890257 FBMCAQLSDPIAHK-LUAWRHEFSA-N 285.324 3.869 30 20 CHED C=C(Cl)COC(=O)Cc1c[nH]c2cc(Cl)ccc12 727911645 KQSHYNWQXYTHRX-UHFFFAOYSA-N 284.142 3.660 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(F)c(F)cc2F)c1 729150726 XPMAWVYBAYSAMB-UHFFFAOYSA-N 295.260 3.959 30 20 CHED C[C@H]1Cc2ccccc2N(Cc2ccc(OCC#N)cc2)C1 731213094 HWUUOOMHSFXZOV-HNNXBMFYSA-N 292.382 3.788 30 20 CHED C=CCN(CC1CCCCC1)C[C@@H](O)c1ccccc1F 732666838 FJDCPBFVSWAPPI-GOSISDBHSA-N 291.410 3.927 30 20 CHED C#CCCOc1ccc(CNCC(CC)CC)cc1 733327753 AOQXGLJXSGJKBQ-UHFFFAOYSA-N 259.393 3.615 30 20 CHED C[C@@H](CC#N)OC(=O)c1cc2c3ccccc3n(C)c2s1 733709156 FHJDLIUGJIKKSR-JTQLQIEISA-N 298.367 3.852 30 20 CHED C(/C=C\c1ccccc1)=NNc1cnnc2ccccc12 733748412 VVFYGODIUBEYRY-WPFQCSIDSA-N 274.327 3.741 30 20 CHED CC[C@@H]1CCCC(=NNc2cccc([N+](=O)[O-])c2)C1 734977291 MHFYQZKGRSMFQE-LLVKDONJSA-N 261.325 3.963 30 20 CHED C=C(Cl)CNC(=O)c1cccc(Nc2ccccc2)c1 736243234 VZJOYNKIFIXESA-UHFFFAOYSA-N 286.762 3.913 30 20 CHED C=C(Cl)CNC(=O)CSc1ccc(C(C)(C)C)cc1 736247094 YWZTWOGLFDTOSV-UHFFFAOYSA-N 297.851 3.945 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1c1ccccc1C 736399208 VORGOJFPLLQWLZ-AWEZNQCLSA-N 278.783 3.594 30 20 CHED CC(=NNc1cccc2cnccc12)c1cncc(F)c1 737431888 QLAWVBAHFKYWAH-UHFFFAOYSA-N 280.306 3.605 30 20 CHED COc1ccc(CCNN=C/C=C\c2ccccc2)cc1 737440173 DYORFQDFKWWPMJ-RPVLYLTJSA-N 280.371 3.527 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2nccc3ccccc23)cn1 740765265 UIUYHQKUCIZCRT-FPLPWBNLSA-N 291.354 3.908 30 20 CHED CC(=NNc1ccc(Br)cc1C)[C@@H]1CCOC1 741764405 IKRQAFGURDTUNB-LLVKDONJSA-N 297.196 3.582 30 20 CHED Cc1nc(C)c(CON=Cc2ccccc2C)s1 742351995 LBMGPPRJHUISDZ-UHFFFAOYSA-N 260.362 3.619 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCc2cc(C#N)ccc2F)o1 742383595 RABDZJNRLQODKY-NHYWBVRUSA-N 284.334 3.704 30 20 CHED C[C@H](CC(=O)NCc1cc(C#N)ccc1F)CC(C)(C)C 742733740 SRCBQXLVNWBSMQ-GFCCVEGCSA-N 290.382 3.776 30 20 CHED CCOc1ccc(/C=N\Cc2c(C)cccc2F)c(O)c1 743041887 FTWJDYSMCKXCAA-GRSHGNNSSA-N 287.334 3.858 30 20 CHED CC(Cc1ccccc1C)=NNc1ccccc1C(=O)O 743430553 KIQMWJRQMMHHLA-UHFFFAOYSA-N 282.343 3.724 30 20 CHED C#CCN(Cc1cccc(Cl)c1Cl)C1CC1 746136869 KDXHOBHFHNCJHB-UHFFFAOYSA-N 254.160 3.591 30 20 CHED CCC(CC)[C@H](CC/N=C\c1c(O)cccc1OC)OC 746523348 VKTZHTRFUCTRRK-JIHKLPAASA-N 293.407 3.661 30 20 CHED C=CCCCC(=O)OCc1ccc(Br)cc1 748227751 UZLUEINDGLXSRR-UHFFFAOYSA-N 283.165 3.849 30 20 CHED C[C@H](OC(=O)C[C@H](C)C1CC1)c1ccc(C#N)cc1 748676855 DKNMALJCBAZGSU-RYUDHWBXSA-N 257.333 3.599 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2CCCC(C)(C)C#N 748831721 JKGGLINTFWBZHI-AWEZNQCLSA-N 272.392 3.912 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(Cl)cc2F)s1 749318775 QHAQUXNHNWNHEN-UHFFFAOYSA-N 281.695 3.631 30 20 CHED C#CCCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 751776721 YZJFOKKNLUFLIE-UHFFFAOYSA-N 267.284 3.664 30 20 CHED Cn1c(Cl)cnc1/C=C/C(=O)c1ccc(Cl)cc1 752873968 HYGSREUZBOOHCY-VOTSOKGWSA-N 281.142 3.623 30 20 CHED C[C@H]1CC(=NNc2ccc(Cl)c(F)c2)CN1C1CC1 753959461 IYONNYJDOGPXRV-VIFPVBQESA-N 281.762 3.504 30 20 CHED C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)C[C@H]1C 754633605 XZCXWHVHHBUDSN-SKQLWMKHSA-N 282.387 3.512 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H]2C[C@H]2c2ccccc2)n1 755745411 TYCYFUBSUURMIT-OLZOCXBDSA-N 286.766 3.640 30 20 CHED C=CCCCC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 757800321 KFKLTZPGJPUEHL-HNNXBMFYSA-N 285.387 3.905 30 20 CHED CN1CCCC(=NNc2cccc(C(F)(F)F)c2)CC1 758095372 XDOFBYOCNLLZOH-UHFFFAOYSA-N 285.313 3.589 30 20 CHED C#CCCCC(=O)Nc1cc(F)ccc1N1CCCCC1 758233607 LADKZHGXFWMBKR-UHFFFAOYSA-N 288.366 3.558 30 20 CHED CC(C)c1ncc(C=NNc2cccc(C#N)c2)s1 758373776 JKHVWTQCJXBEPV-UHFFFAOYSA-N 270.361 3.584 30 20 CHED CC(Cc1cccc(F)c1)=NNc1nc2ccccc2[nH]1 759179610 HGODQNATAFHERX-UHFFFAOYSA-N 282.322 3.733 30 20 CHED CC1(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 760561499 UFAMRLUSCNTKJK-UHFFFAOYSA-N 296.395 3.703 30 20 CHED CCCC1(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 761013243 RLSZRDPLPVCROA-AWEZNQCLSA-N 278.355 3.991 30 20 CHED Cn1cnc2cc(/C=C\C(=O)c3ccc(F)c(F)c3)ccc21 761199123 BUNKNASGGVNOOO-CLTKARDFSA-N 298.292 3.748 30 20 CHED C=C(Cl)CSCCCOc1cccc(C#N)c1 763226874 PZMYUTWPAZBCLK-UHFFFAOYSA-N 267.781 3.813 30 20 CHED COc1ccsc1/C=C1\CCOc2ccccc2C1=O 764434196 XOUOYMGPSWMFTJ-ZHACJKMWSA-N 286.352 3.806 30 20 CHED Cc1ccc(F)c(C=NNc2ncnc3ccsc23)c1 764836156 VSZOBEORTVVVNZ-UHFFFAOYSA-N 286.335 3.585 30 20 CHED CC(C)(C(=O)Nc1cc(CC#N)ccn1)C1CCCCC1 766473501 JRCAFXGJRBLXRT-UHFFFAOYSA-N 285.391 3.693 30 20 CHED C#CCCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 766904900 DTGXAIQFRBALSZ-GOEBONIOSA-N 259.418 3.578 30 20 CHED Cc1cc(Cl)ccc1C=NNc1cccc(C#N)c1 767362378 WVNMWTJYTUYCNJ-UHFFFAOYSA-N 269.735 3.966 30 20 CHED COc1ccc2oc(CN(CCC#N)CC(C)C)cc2c1 768153914 PTQDPBDOFFFIKO-UHFFFAOYSA-N 286.375 3.813 30 20 CHED C=CCN(Cc1cc(Br)ccc1O)C(C)C 768547167 JSUQLWOUJOQSBR-UHFFFAOYSA-N 284.197 3.551 30 20 CHED CC[C@@H]1C[C@H](CC(=O)OCCCCC(C)(C)C#N)CCO1 768849488 GJGJHNMTVQWHMS-HUUCEWRRSA-N 295.423 3.845 30 20 CHED C=CC[C@@H]1N(C[C@H]2CC3(CCC3)C(=O)O2)CCCC1(C)C 769954877 XXJOWRAVHLXWBJ-CABCVRRESA-N 291.435 3.539 30 20 CHED C#CCCCCCc1nc(-c2ccc(C(C)C)nc2)no1 771584927 AVOGNLUTOQSVEG-UHFFFAOYSA-N 283.375 3.991 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C2(F)CCCC2)cc1 772514890 TXQHBBCPGSNQPJ-UHFFFAOYSA-N 274.339 3.524 30 20 CHED O=C1/C(=C/c2ccc3ncccc3c2)Oc2cc(F)ccc21 773173869 UNEYZSOCHPWZHR-MFOYZWKCSA-N 291.281 3.990 30 20 CHED C#CCCCCC(=O)Nc1ccc(Nc2ccccc2)nc1 773302886 GLPVIJZGXZLMNZ-UHFFFAOYSA-N 293.370 3.957 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2)[C@@H]1Oc1ccccc1 774313954 WFVCEMHFOVWZTB-MSOLQXFVSA-N 296.370 3.711 30 20 CHED O=C(/C=C\c1nc2c(s1)CCCC2)c1ccccc1O 776266511 RRUUEYHDWQMREE-KTKRTIGZSA-N 285.368 3.624 30 20 CHED CO[C@H]1CCCCC1=NN[C@@H](Cc1ccccc1)C(C)C 777447862 KELSQGZQWPFHMQ-ROUUACIJSA-N 288.435 3.788 30 20 CHED FC(F)(F)CCON=C[C@H]1C[C@@H]1c1ccccc1 777461537 ZJXPSDJTSGGCRA-VXGBXAGGSA-N 257.255 3.745 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C)CCSC)c1ccccc1 777681384 MLMYBOYDXOAKRW-HOCLYGCPSA-N 291.460 3.994 30 20 CHED C=CCC[C@H](C(=O)OC[C@H]1CC[C@@H](C)O1)c1ccccc1 778696145 FCJXIUJVNIBFHG-OIISXLGYSA-N 288.387 3.847 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1ccc(F)cc1C 779819811 YWULBNQCNYGSAT-UHFFFAOYSA-N 282.322 3.847 30 20 CHED C#CCCCCCC(=O)Oc1cccc(NC(=O)C2CC2)c1 779850337 KCTXLPLZVXJQSQ-UHFFFAOYSA-N 299.370 3.524 30 20 CHED Cc1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1C 780187802 IKCHBKUDYHRVFL-OVCLIPMQSA-N 264.324 3.831 30 20 CHED C/C(C=NN[C@@H]1CCOC(C)(C)C1)=C/c1ccccc1 780251298 UAERAUBGFJTMDR-OZVYGADSSA-N 272.392 3.623 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNc1ccc(OC)cn1 780266756 AXVFOYJSFSVWTD-NWDGAFQWSA-N 261.369 3.704 30 20 CHED CCC1(C)CCC(=NNc2ncncc2Cl)CC1 780283453 XHMBQLWJPDSGQB-UHFFFAOYSA-N 266.776 3.888 30 20 CHED CCSCCC=NNCc1cccc(Cl)c1 781125718 SFMYYCMWXKIBDK-UHFFFAOYSA-N 256.802 3.559 30 20 CHED Cc1cccnc1C=NNc1ccc(Cl)c(F)c1 781592632 ICILUHJNMPXBKR-UHFFFAOYSA-N 263.703 3.629 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H]1CCC(C)(C)C1 781747668 OFNOCQCYHKDEKL-AWEZNQCLSA-N 271.360 3.736 30 20 CHED FC(F)(F)CCON=Cc1sccc1Cl 782283884 XVHVZGPZSMSEJE-UHFFFAOYSA-N 257.664 3.704 30 20 CHED Cc1cc(C=NN[C@@H]2CCCC2(C)C)cnc1Cl 782288079 ONPJIGAUVVSYGQ-GFCCVEGCSA-N 265.788 3.546 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C[C@@H]1CCCC[C@@H]1C 783836223 XDUHXKGQHOYNFM-RYUDHWBXSA-N 291.351 3.827 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1ncc(-c2ccccc2)o1 785078897 RVYJGWVRXDTIPD-GFCCVEGCSA-N 298.342 3.886 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(OC(C)C)c1 785533912 IEGCKILUJLFWOY-KRWDZBQOSA-N 275.392 3.692 30 20 CHED C=C(Cl)CNC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 787864114 AHUABHXSTNAWKK-DZGCQCFKSA-N 292.810 3.635 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1CCc1ccccc1 791066683 FPUVXTLOCCKUCK-ZWKOTPCHSA-N 298.430 3.595 30 20 CHED C=CCC1(C(=O)OCc2ccc(Cl)cn2)CCC1 791562288 LAUNBMPPWZXTFV-UHFFFAOYSA-N 265.740 3.525 30 20 CHED C#CCN(C)CCSc1ccnc2cc(Cl)ccc12 792302178 OPJYYERTNQFOKT-UHFFFAOYSA-N 290.819 3.545 30 20 CHED C=CCCCCNC(=S)Nc1cc(Cl)ccc1OC 792681308 CDVAWFNDPYVRAR-UHFFFAOYSA-N 298.839 3.991 30 20 CHED CC[C@H](C)CON=Cc1c[nH]c2ccc(OC)cc12 793146258 PGUBHKVBAWLFQV-NSHDSACASA-N 260.337 3.573 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(N(C)C)nc1 793529031 YSRIVFJQWGRMEZ-HNNXBMFYSA-N 275.440 3.762 30 20 CHED CC(=NNc1ncccc1F)c1cc(C)ccc1C 794994434 VWURXCDHPCNSGN-UHFFFAOYSA-N 257.312 3.674 30 20 CHED COCCCON=C(C)c1ccc(SC(F)F)cc1 795043611 FGPAIERWPAVRHA-UHFFFAOYSA-N 289.347 3.778 30 20 CHED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccncc1 795980818 KYETVCFNLIAGRT-YOEHRIQHSA-N 294.354 3.773 30 20 CHED CC[C@H](C)CC[C@H](O)CC(=O)O[C@H](C#N)C1CCCCC1 796348107 FPXYQVYKNSKNCU-CWRNSKLLSA-N 295.423 3.579 30 20 CHED C=CCCCCCOC(=O)c1ncccc1Cl 796579844 UWRKREQZUVOGBQ-UHFFFAOYSA-N 253.729 3.638 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccc(O)cc1 797278706 PBDHBHITVLEQFE-UXBLZVDNSA-N 268.312 3.605 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cc(Cl)c(N)c(Cl)c1 797587537 UZWZLYNPGWADON-VIFPVBQESA-N 298.217 3.920 30 20 CHED C#C[C@H](NC(=O)CCCCCc1cccs1)C(C)C 799043304 HNRPCANNPTZXQG-HNNXBMFYSA-N 277.433 3.625 30 20 CHED Cc1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1C#N 799305262 DARCZHJVLDGUHG-WBMJQRKESA-N 270.376 3.517 30 20 CHED COc1cc(CNc2cnc(Cl)c(C)c2)ccc1C#N 799762187 PXFUBVLBVNFUBS-UHFFFAOYSA-N 287.750 3.536 30 20 CHED c1cncc([C@@H]2CCCC(=NO[C@@H]3CCCCO3)C2)c1 799884718 JBHBBCOQVQSXQS-CZUORRHYSA-N 274.364 3.638 30 20 CHED C=CC[C@H](C(=O)OC[C@H](F)C(F)(F)F)c1ccccc1 800204629 QRHLOZNATDYDRX-RYUDHWBXSA-N 290.256 3.790 30 20 CHED C[C@@H](C#N)OCCNc1ccc2oc3ccccc3c2c1 802738726 DTZHTFJQACLLOW-LBPRGKRZSA-N 280.327 3.927 30 20 CHED CC(C)c1[nH]ccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 803780683 CFOGZBHAMBHKRP-LBPRGKRZSA-N 282.343 3.928 30 20 CHED C#C[C@@H](NC(=O)C1(C)CCCC1)c1ccc(Cl)cc1F 804414797 QDNDWHYLMFTUFU-CQSZACIVSA-N 293.769 3.850 30 20 CHED C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)cn1 804678502 INESOKCCDIOCFU-LURJTMIESA-N 299.186 3.890 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc(C)c(F)cc1F 804833662 FXGHETGIRPKVMG-UHFFFAOYSA-N 299.320 3.549 30 20 CHED C=CCCCCCCNC(=O)c1ccccc1C(C)=O 805218592 GJIQXECNRACWMO-UHFFFAOYSA-N 273.376 3.756 30 20 CHED C=C(CNC(=O)/C=C/c1cccc(F)c1)c1ccccc1 805250054 KYGLKIUZFRBISZ-ZHACJKMWSA-N 281.330 3.669 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)CCC(C)C 806284527 HHZHMRHLBUYFAL-INIZCTEOSA-N 286.419 3.656 30 20 CHED C#C[C@H](NC(=O)CCCc1ccc(C)s1)C(C)(C)C 807878391 NZWJIKMFQHRDKG-AWEZNQCLSA-N 277.433 3.543 30 20 CHED FC(F)(F)c1cccnc1NN=CCCC1CC1 807962773 GSZUDDVREFWVKW-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C[C@H]1/C(=C/c2cnn3ccccc23)C(=O)c2ccccc21 809158499 BAOHVIXPLUXTNB-YUSFRKCESA-N 274.323 3.718 30 20 CHED C#C[C@@H](NC1CC(C(F)F)C1)c1ccc(Cl)cc1F 809698685 FONVLQKWLUIIGI-QDPIBXHXSA-N 287.712 3.787 30 20 CHED Fc1ccc(Br)c(C=NOC/C=C/Cl)c1 811668142 LBXMSJJWLSIWIB-UOZKWQDASA-N 292.535 3.691 30 20 CHED CC(=NOC/C=C/Cl)c1cc(Cl)cc(C)c1O 811669827 JQKWFFDCKIWXRU-NVTDJXPOSA-N 274.147 3.847 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccccc1SC 811871681 UPEXVWWBJQSGQF-UHFFFAOYSA-N 281.380 3.571 30 20 CHED C#C[C@H](NC(=O)C12CCC(CC1)C2)c1ccc(Cl)cc1 811945966 LWFQMMPIZPLKAM-VXKCQOAXSA-N 287.790 3.711 30 20 CHED COc1ccc(F)cc1/C=C1\Cc2ccc(C#N)cc2C1=O 812242647 SOZPITRMBLMBLB-RIYZIHGNSA-N 293.297 3.528 30 20 CHED N#C[C@@H](C(=O)C[C@@H]1C=CCC1)c1cc(C(F)(F)F)ccn1 813211443 KNGAELIKBJVETC-ZYHUDNBSSA-N 294.276 3.633 30 20 CHED CCOc1cccc2cc(C(C)=NOCC3CC3)oc12 814243124 GZYGPLWVICDMAN-UHFFFAOYSA-N 273.332 3.982 30 20 CHED c1cc2[nH]ncc2cc1NN=C1CC[C@H]1C1CCC1 814900277 LQGUQIQZHCQNHY-ZDUSSCGKSA-N 254.337 3.541 30 20 CHED CCOc1ccc(NN=C(CC)C2CCOCC2)cc1 814983584 MZPMOXSHNICMSW-UHFFFAOYSA-N 276.380 3.690 30 20 CHED C=CC[C@H](NCc1ccsc1C)c1ccncc1 815124575 CYCKGCQBRFJPHM-HNNXBMFYSA-N 258.390 3.859 30 20 CHED C#CCSCCN[C@H](C)c1cccc(C2CC2)c1 815594102 GFUCHKHDOOYARP-CYBMUJFWSA-N 259.418 3.581 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 815663259 RRZSMEIZAXPFDY-HUUCEWRRSA-N 293.357 3.725 30 20 CHED C=CCCCCNCc1ccc2ccccc2c1O 816571210 VYBONQXLVCCZLE-UHFFFAOYSA-N 255.361 3.991 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@@H](CC)c1ccccc1OC 816693395 JXXMYWAMPNADGP-ZDUSSCGKSA-N 297.345 3.816 30 20 CHED Cc1cccc(NC(=O)N2CCC[C@@H](CC#N)C2)c1Cl 821515205 MUCGJZNZTIBHHL-LBPRGKRZSA-N 291.782 3.806 30 20 CHED C#CCCOc1ccc(CNC[C@@H]2CCCC2(F)F)cc1 824798295 CCXITBRAGXYPMR-HNNXBMFYSA-N 293.357 3.614 30 20 CHED N#Cc1c(Cl)nsc1NC[C@H]1CCCC1(F)F 828858096 OJVCUAJIXNMDSJ-ZCFIWIBFSA-N 277.727 3.515 30 20 CHED C=CCCCCN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 829531771 SAMZVJRLCQJBEL-NWDGAFQWSA-N 262.224 3.858 30 20 CHED CCCCC[C@H]1CCCN1C(=O)c1cc(C#N)ccc1F 830498531 OLEYWQFXAAUUBU-AWEZNQCLSA-N 288.366 3.882 30 20 CHED CC(=NNc1nc2ccccc2cc1C)[C@@H]1C[C@H]2CC[C@H]1O2 834971267 WQCTTXIODIEESC-HLLBOEOZSA-N 295.386 3.899 30 20 CHED C1CCC(OC2CCC(=NOCC3CC3)CC2)C1 834982163 PLZSCDWUVIPKSK-UHFFFAOYSA-N 251.370 3.671 30 20 CHED CC1(C)OCC[C@H]1NN=Cc1csc(Cl)c1Cl 835016787 NKPVDAARASLTKH-MRVPVSSYSA-N 293.219 3.546 30 20 CHED Cc1nc2ccccc2cc1C(=O)O[C@H](C)C(C)(C)C#N 835245077 MRWLSUZEWKYANK-GFCCVEGCSA-N 282.343 3.638 30 20 CHED CCCCCCCCNC(=O)NCc1c(CC)noc1C 836373239 HDPSWWSJZCREMK-UHFFFAOYSA-N 295.427 3.705 30 20 CHED C=CCN(C(=O)N[C@H](c1ccccc1)C(F)F)C(C)C 836669586 PASVWCCTUJPXAF-CYBMUJFWSA-N 282.334 3.599 30 20 CHED C=CCN(C(=O)Nc1cnn(CCC)c1C1CC1)C(C)C 836715393 CRTJHFVAMQJHSV-UHFFFAOYSA-N 290.411 3.599 30 20 CHED N#CCC(=O)NC(C1CCCCC1)C1CCCCC1 837266234 ZQBLHGHFOSWVAZ-UHFFFAOYSA-N 262.397 3.545 30 20 CHED CCCCC[C@H](CC)C(=O)NCC(C)(C)CC#N 837889917 RDZIDHQLFRFMLA-ZDUSSCGKSA-N 252.402 3.649 30 20 CHED C=C(C)CCNC(=O)N1CCC(c2cccc(F)c2)CC1 838659421 FVEIYESENFQGHK-UHFFFAOYSA-N 290.382 3.681 30 20 CHED C#CCC[C@H](C)OC(=O)c1cccc(C(F)F)c1 839037981 FESAJLGCTGCTCP-JTQLQIEISA-N 252.260 3.583 30 20 CHED C=C(C)CN(C)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 840040557 GBCYCVMAGIITPO-QGZVFWFLSA-N 298.430 3.596 30 20 CHED CC(C)OCCCC(=O)OCCC1(C#N)CCCCC1 840434930 VHKPVJPWWWWFPR-UHFFFAOYSA-N 281.396 3.599 30 20 CHED C=CCCCCSC[C@@H]1CC2(CCC2)C(=O)O1 842180313 NQRIOLGRXIYNOV-LBPRGKRZSA-N 254.395 3.562 30 20 CHED C=C(C)CONC(=O)Nc1ccc(OC2CCCC2)cc1 844501827 VPRJYRXAUFLHPA-UHFFFAOYSA-N 290.363 3.637 30 20 CHED COCC(CC(C)(C)C)=NNc1cc(Cl)ccn1 844588833 CMJHEWZITPORNH-UHFFFAOYSA-N 269.776 3.586 30 20 CHED Brc1cnc(NN=C2CCCCCCC2)nc1 848421965 QQZDOPVENCBJTQ-UHFFFAOYSA-N 297.200 3.751 30 20 CHED C=CCCn1cc(/C=C/C(=O)c2cccc(C3CC3)c2)nn1 849248929 ANJFWALZKGPLII-MDZDMXLPSA-N 293.370 3.628 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1oc(C)nc1C 851145574 XINIUCDCDSCMND-STQMWFEESA-N 263.337 3.583 30 20 CHED Cc1ccc(CC(=O)O[C@@H](C)CC(C)(C)C#N)cc1C 851214311 ORGBYFCAJSMZAP-AWEZNQCLSA-N 273.376 3.718 30 20 CHED C=C[C@H](OC(=O)c1cnc(C(C)(C)C)nc1)c1ccccc1 851452492 TWGDBNIRCKKEDL-HNNXBMFYSA-N 296.370 3.858 30 20 CHED CO[C@@H](C=NNc1c(Cl)cccc1Cl)C1CC1 853318524 QDGMZGMDGHDUNI-NSHDSACASA-N 273.163 3.816 30 20 CHED C[C@@H](C=NOCC1CCC1)c1cc(F)cc(F)c1 853440679 JVRMPHCZQJSXST-JTQLQIEISA-N 253.292 3.871 30 20 CHED CCCCCCCNC(=O)N[C@H](C)c1ncc(C)s1 858110819 JYMRDUGQDTVULW-GFCCVEGCSA-N 283.441 3.782 30 20 CHED C=CCC1(NCCCCCCCO)CCCCC1 859746702 XBDBOQVLFOQATH-UHFFFAOYSA-N 253.430 3.798 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)O[C@H](C)C(C)(C)C#N 860623199 HAIDKGWXVSVTGM-UONOGXRCSA-N 273.376 3.655 30 20 CHED CC(C)(O)CNN=C1CCC[C@H](c2cccc(Cl)c2)C1 863136355 BVQMGKNJERJXCZ-ZDUSSCGKSA-N 294.826 3.714 30 20 CHED C[C@H](C#N)OCCSCCCSC(C)(C)C 865281782 ZMGIOQMGYRBSQT-LLVKDONJSA-N 261.456 3.570 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1cc(O)ccc1F 871671265 JWPYBBQEWBFMMR-DAXSKMNVSA-N 288.322 3.513 30 20 CHED C=CC(C)(C)CC(=O)N1CCCO[C@@H](c2ccccc2)C1 878741982 PGABBQKERDKIBO-MRXNPFEDSA-N 287.403 3.579 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(SCC)cc1 883776322 XEIGSZKULJWUSF-UHFFFAOYSA-N 278.421 3.516 30 20 CHED CC[C@H](CC(=O)N(CC#N)c1ccccn1)c1ccccc1 892464884 PGMUJQYBPYDACM-OAHLLOKOSA-N 293.370 3.522 30 20 CHED N#Cc1cnc(NC(=O)CC2CC(c3ccccc3)C2)s1 896488841 QHKTXPFCYCRBTG-UHFFFAOYSA-N 297.383 3.537 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc(-c3ccon3)c2)C1 897387799 JVVJROVTBYYXHQ-GXTWGEPZSA-N 267.332 3.836 30 20 CHED N#Cc1cccc(Cl)c1NCCOC1CCSCC1 897515402 QOBCLFFROLJVTI-UHFFFAOYSA-N 296.823 3.536 30 20 CHED C#Cc1ccc(NCc2nc3c(s2)CCCC3)cc1 898505738 OKPCIWVGWUKSKK-UHFFFAOYSA-N 268.385 3.615 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(C)(C)[C@H]1c1ccccc1 906387553 DSHRUSCMYGOGJZ-YESZJQIVSA-N 299.414 3.577 30 20 CHED COc1cccc(O)c1C=Nc1ccc(OC(C)C)cc1 915982976 LESWROSZOLSPAT-UHFFFAOYSA-N 285.343 3.939 30 20 CHED C=CCOC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 917296168 JXSJOSXAZAVKFL-ZDUSSCGKSA-N 262.349 3.615 30 20 CHED COc1ccc(CNN=Cc2c[nH]c3cc(C)ccc23)cc1 917547503 UCUKZBWVQBZAIM-UHFFFAOYSA-N 293.370 3.609 30 20 CHED CC(C)Oc1ccccc1C/N=C/c1cccc(O)c1O 917557655 FIKWVJWGTFRAKV-WOJGMQOQSA-N 285.343 3.504 30 20 CHED C#CCNC(=O)Nc1ccccc1Oc1c(C)cccc1C 919776233 HUCULQMAAIZJNM-UHFFFAOYSA-N 294.354 3.850 30 20 CHED CC(C)(CC/N=C\c1ccc(O)c(O)c1O)c1ccccc1 920177833 LJMXPIJUHWEEDS-UNOMPAQXSA-N 299.370 3.590 30 20 CHED COc1ccc(O)c(/C=N/C[C@H](C)c2ccc(F)cc2)c1 920178344 OVTFECNCIBEYQQ-MKFNJMOCSA-N 287.334 3.763 30 20 CHED C[C@H]1CCCC[C@@H]1CNc1snc(Cl)c1C#N 920337167 AXWJWWVPLBICJJ-DTWKUNHWSA-N 269.801 3.906 30 20 CHED CC(CCc1cccc(C)c1)=NNc1ccc(Cl)nn1 920359121 SMLHVGSGJGTJFH-UHFFFAOYSA-N 288.782 3.859 30 20 CHED COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)c(C)c1 922073192 PIDSVXKZZJYIEQ-LJQANCHMSA-N 292.382 3.652 30 20 CHED C[C@H](CC(C)(C)C#N)NCC1(c2cccc(F)c2)CC1 925107170 CUZVZLOYSNYFPS-CYBMUJFWSA-N 274.383 3.775 30 20 CHED N#CCCCN[C@H](c1ccc(Cl)cc1)c1ccccn1 926134362 YEBUDFNWYZISDX-MRXNPFEDSA-N 285.778 3.718 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 928248069 DHAKHJPYMRFVRX-GFCCVEGCSA-N 288.347 3.518 30 20 CHED CN(CCCCC1(C#N)CCC1)C1Cc2ccccc2C1 929337501 QQFMSUIXKXBIQT-UHFFFAOYSA-N 282.431 3.950 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 929570726 TZUNABFIFRZBPO-QWHCGFSZSA-N 263.356 3.947 30 20 CHED C=C(Br)CN(CC)Cc1ccccc1F 1115919265 VVWVGDKDQXXWTG-UHFFFAOYSA-N 272.161 3.556 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(SC(F)F)cc1 1116642751 AEFNZBPPIVSZQC-JQWIXIFHSA-N 287.375 3.853 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)c1ncccc1C)c1ccccc1 1120741385 MZALIRUIUGYUDA-HOTGVXAUSA-N 294.398 3.927 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1oc2ccccc2c1C 1121161161 OWIJXZJCPINKQL-LBPRGKRZSA-N 270.332 3.506 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CCNc3ccccc32)C1 1122062252 LALJJUXOKNQQOQ-CVEARBPZSA-N 298.430 3.791 30 20 CHED CC[C@H](C)[C@@H](C)c1nnc(COc2ccc(C#N)cc2)o1 1261426641 XHQLMVIIIIXSNB-NWDGAFQWSA-N 285.347 3.670 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)O[C@@H](CC#N)c1ccco1 1263661104 ZQVUAIRJOXFEBI-DYEKYZERSA-N 261.321 3.604 30 20 CHED CC1(C)CCC[C@@H](Nc2ccc(Cl)c(C#N)n2)C1 1307097339 UQHIMRWDECSJIH-SNVBAGLBSA-N 263.772 3.987 30 20 CHED CC(C)NC(=S)NN=Cc1ccccc1-c1ccccc1 1317890975 JZKWFNIZGUBEFJ-UHFFFAOYSA-N 297.427 3.560 30 20 CHED C=CCn1cnnc1SCc1ccccc1OC(C)C 1317891133 MNNMTFIQTDLAMX-UHFFFAOYSA-N 289.404 3.544 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNCc2ccc(F)cc2)o1 1319193171 WUUUGKRKRDETHU-IAQYHMDHSA-N 272.323 3.666 30 20 CHED C#CCN(CC1CC1)C(=O)CCC(C)(C)c1ccccc1 1319567016 UYGQWCIOLAJKJJ-UHFFFAOYSA-N 283.415 3.616 30 20 CHED CC(=NNc1ccn(C)n1)c1ccc(SC(C)C)cc1 1321014564 PBAOWMNLZKRRNG-UHFFFAOYSA-N 288.420 3.757 30 20 CHED Cc1ccccc1C1CCN(c2cccc(CC#N)n2)CC1 1321329043 ODFHNSBYFULHON-UHFFFAOYSA-N 291.398 3.840 30 20 CHED Cc1cc(-c2nnc(-c3cccc(C#N)c3)o2)c(F)cc1F 1322584976 HFIVEHDKXYYEOF-UHFFFAOYSA-N 297.264 3.862 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)c2ccccc2F)c1 1323857719 PWLFUWJHLPCTGI-KTKRTIGZSA-N 284.286 3.508 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1cccnc1N(C)C)C2=O 1326878074 YTFLIFIBNAPJIV-MHWRWJLKSA-N 292.382 3.587 30 20 CHED C[C@H](SCCCC#N)c1nccn1-c1ccccc1 1327134274 OOZNTBBFIGXADH-ZDUSSCGKSA-N 271.389 3.970 30 20 CHED C[C@@H]1CCC[C@]1(C)c1nnc(-c2ccc(C#N)cc2)o1 1327866711 SQUBQJFVSOAGHF-BZNIZROVSA-N 267.332 3.686 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1336388608 JWCUSNVYSFEEQL-DLBZAZTESA-N 282.387 3.641 30 20 CHED CC[C@@H](NC[C@@H](C)CCC#N)c1cc(F)ccc1OC 1336853059 ABRKNCCVNQGYDT-SWLSCSKDSA-N 278.371 3.815 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccsc1 1339229766 AZSSUSWLCWLOJY-UHFFFAOYSA-N 274.393 3.672 30 20 CHED CCCCCCCc1nnc(Cc2ccncc2)o1 1341672488 RZSIHNMJHIWAQF-UHFFFAOYSA-N 259.353 3.568 30 20 CHED CC1(C)C[C@H](NC(=O)c2csc(C#N)c2)c2ccccc21 1344111856 PLTPVXNFRAHGOD-HNNXBMFYSA-N 296.395 3.772 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CC[C@@H](C(C)(C)C)C1 1346269477 JPSBUIWUVHGMED-LLVKDONJSA-N 298.381 3.664 30 20 CHED N#Cc1ccsc1NC(=O)c1ccnc(-c2ccco2)c1 1348028176 ZHVVZYCFUMXZMG-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCc1ccc([C@H](C)C(=O)N(CC)[C@@H](C#N)CC)cc1 1355088165 IBKREPAWQGOFRC-XJKSGUPXSA-N 272.392 3.503 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1457764212 UBIMSBYSNMWIAG-XNRPHZJLSA-N 271.360 3.989 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(C#N)c(F)cc1F 1462285161 PRSHCFDXLUOLEK-VHSXEESVSA-N 278.302 3.601 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)N=c1cc(C)[nH]cc1C#N 1472692157 MUPSYMJBMHLCFU-INIZCTEOSA-N 299.805 3.770 30 20 CHED CCC[C@H](CC)C(=O)Nc1ccc(C#N)c(Cl)c1 1521816396 YKJBJHHARVHOPU-JTQLQIEISA-N 264.756 3.976 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 1526876323 NOKZPSVFMRBUHM-CYBMUJFWSA-N 290.794 3.768 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cc(OC)c(C#N)cc1F 1533722824 LXSLHUKXWWIPTR-LLVKDONJSA-N 292.354 3.717 30 20 CHED CC(C)(CNc1ccc(Cl)c(C#N)n1)C1CCC1 1559192463 XBHDKWJMHXDACE-UHFFFAOYSA-N 263.772 3.845 30 20 CHED C=C(C)C[C@@H](Nc1nc2c(C)cc(C)cc2s1)C(=O)O 1588555157 ZXMSSWCFYYNFCK-LLVKDONJSA-N 290.388 3.744 30 20 CHED Cc1ccc(C=NNc2ccc(C(=O)O)c(Cl)c2)s1 1600397949 XHMOVBIVJBGUPM-UHFFFAOYSA-N 294.763 3.854 30 20 CHED COc1cc(C#N)ccc1CN1CCCC[C@@H]1CC(C)C 1642159734 QCECXWXUNMDQCK-QGZVFWFLSA-N 286.419 3.967 30 20 CHED CC1(C)CCCN(Cc2ccc3c(c2)CCC3)[C@H]1C#N 1645514717 XRUNJXNZJPIOCF-KRWDZBQOSA-N 268.404 3.689 30 20 CHED COC1(CNc2nc(C#N)c(Cl)s2)CCC(C)CC1 1651817287 FLXOOHBYHRWUGD-UHFFFAOYSA-N 299.827 3.675 30 20 CHED CN(CC1(CC#N)CC1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 1658882690 WISLXGLSYNWSEG-IAGOWNOFSA-N 298.430 3.858 30 20 CHED CCC1(CC)CCCN(C(=O)Nc2cccc(C#N)c2)C1 1667574351 HFTBIGQEODKOOJ-UHFFFAOYSA-N 285.391 3.992 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)[C@@H]1C[C@H]2C=C[C@H]1CC2 1776037623 QYZVSWODAVXLRI-XEZPLFJOSA-N 284.359 3.775 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1)[C@H]1CC1(C)C 1776037635 RZIAFZHGQKUNEF-GFCCVEGCSA-N 260.337 3.609 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNc1ccc(CC(=O)O)cc1 1776084868 UIAZUCAMJIRXCN-GXTWGEPZSA-N 288.391 3.928 30 20 CHED Cc1ccc(CC=NNc2cccc(C(=O)O)c2C)cc1 1776088022 LCXBHPMROLJUMC-UHFFFAOYSA-N 282.343 3.642 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)cc2)c1 1776126901 AQNLBQHXSQYSRQ-WGDLNXRISA-N 292.334 3.989 30 20 CHED C=CCCC1(C(=O)O)CCN(CC2CC3(CCC3)C2)CC1 1776168283 QDIRLCMWSNFBKZ-UHFFFAOYSA-N 291.435 3.700 30 20 CHED C=CCc1ccccc1CN1CC2(CCC2)C[C@H]1CC(=O)O 1776187945 IKHYJZULGRQQSB-QGZVFWFLSA-N 299.414 3.634 30 20 CHED CC1(C)CCC/C(=C/c2cc(F)c(C(=O)O)c(F)c2)C1=O 1776550935 OEPPYQHSYKPESI-POHAHGRESA-N 294.297 3.826 30 20 CHED CCCCCCC[C@@H](C)CN=c1cc[nH]c(C(=O)O)c1 1776782427 YNUAEDXQZRUIBP-CYBMUJFWSA-N 278.396 3.610 30 20 CHED CCCn1ccc2cc(NC(=O)c3cc(C#N)c[nH]3)ccc21 175482093 ZVIRDDYFPZMNDU-UHFFFAOYSA-N 292.342 3.503 30 20 CHED N#Cc1ccc(Oc2cccc(NC(=O)NC3CC3)c2)cc1 104767560 KAHNZIUPTITOHZ-UHFFFAOYSA-N 293.326 3.634 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(-c2nccs2)cc1 116998297 FBGFPIOPOHVBHF-LLVKDONJSA-N 287.388 3.896 30 20 CHED CCc1ccc(CNc2ccc(F)c(C#N)c2)s1 51636827 PCZFUGNGESNAIC-UHFFFAOYSA-N 260.337 3.933 30 20 CHED C[C@H](c1ccc(F)c(Cl)c1)N1CCC(C#N)CC1 57872841 NKWDMBYODMQLHJ-SNVBAGLBSA-N 266.747 3.776 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)c(OCC(F)F)c1 117005180 GHENOZGFOVGOLQ-NSHDSACASA-N 298.333 3.725 30 20 CHED C#CCCCNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 174116065 NDLOYOQCHMBZJP-JTQLQIEISA-N 299.201 3.767 30 20 CHED CC(C)Oc1ccc(OC(=O)c2cccc(C#N)c2)cc1 117152020 NFOZDMWXQIESPJ-UHFFFAOYSA-N 281.311 3.565 30 20 CHED N#Cc1ccc(NCC2(Sc3ccccc3)CC2)nc1 68773266 NJVDPFMMFPTYNJ-UHFFFAOYSA-N 281.384 3.690 30 20 CHED CCc1ccc(C(=O)COc2ccc(C#N)c(F)c2)cc1 66748910 DJPUJVWXRIWVAA-UHFFFAOYSA-N 283.302 3.521 30 20 CHED CCc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 26135157 HCVDIIHURDFMSE-ZDUSSCGKSA-N 278.355 3.612 30 20 CHED Cn1cc(C(=O)/C=C/c2ccccc2OC2CCCC2)cn1 68395457 YCZODUVVMJRBLW-ZHACJKMWSA-N 296.370 3.638 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccncc1 66802115 HKMQDDHJLXFTTB-GFCCVEGCSA-N 297.383 3.728 30 20 CHED C=CCN1CCC(N[C@H]2CCCc3ccc(C)cc32)CC1 178958113 CCUVEOQQEXGVDZ-IBGZPJMESA-N 284.447 3.612 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)c1snc(Cl)c1C#N 301920431 DYBZYEZGNJJEMH-WPRPVWTQSA-N 269.801 3.683 30 20 CHED CC[C@H](C#N)Sc1nc2cc(Cl)ccc2o1 127072524 IBIRKVMJBIDKCQ-MRVPVSSYSA-N 252.726 3.875 30 20 CHED Cc1ccc([C@H](C)NCc2cccc(OCC#N)c2)cc1 37770699 PFJZIAQSQCMBNL-HNNXBMFYSA-N 280.371 3.748 30 20 CHED C[C@@H](c1nc2ccccc2s1)N(C)CC1(CC#N)CC1 602781843 GDQRYJYMOXJEIR-LBPRGKRZSA-N 285.416 3.983 30 20 CHED N#Cc1cc(Cl)ccc1N1CCOCC2(CCCC2)C1 302454180 UCOVWYNDQYQZDE-UHFFFAOYSA-N 290.794 3.609 30 20 CHED N#CCSCCCN1CCC(c2ccsc2)CC1 186926651 FCQQHSUVVRNRJX-UHFFFAOYSA-N 280.462 3.574 30 20 CHED N#CC1(COC(=O)c2ccc(C(F)(F)F)cc2)CCC1 183922821 MOJWXKJTHRVAIO-UHFFFAOYSA-N 283.249 3.556 30 20 CHED CCC(=O)c1ccc(NCC(C)(C)CC#N)c([N+](=O)[O-])c1 413409612 OQJBLUYACCYPJB-UHFFFAOYSA-N 289.335 3.539 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)CC(F)F 412127313 FRWASDGMJAYAOW-JTQLQIEISA-N 295.333 3.610 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C)ccc1Br 121870023 USYNYQBQEWJXBS-UHFFFAOYSA-N 294.192 3.572 30 20 CHED N#CCSc1cccc(C(=O)NC2CCCCCC2)c1 79381577 UKSJPFQFBYQXJW-UHFFFAOYSA-N 288.416 3.755 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N(CC#N)C2CC2)c1 506767418 PTNPLFUDGZMNHH-CQSZACIVSA-N 284.403 3.503 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1 78442131 CRCCZGMGSWHZOO-GFCCVEGCSA-N 291.310 3.748 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N[C@@H]3CCSC3)c2c1 78500746 DOMRKDFVLDTNMZ-CYBMUJFWSA-N 283.400 3.641 30 20 CHED CC#CCSc1nnc(-c2ccc(Cl)cc2)o1 123739608 WPPYSXFMRDFFKI-UHFFFAOYSA-N 264.737 3.505 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 316723537 UKJCGYFVOQJPBV-RYUDHWBXSA-N 299.374 3.606 30 20 CHED C=CCn1c(C(C)C)nnc1N1CC[C@H](c2ccccc2)C1 508479536 AYEXTORUOCFEGO-INIZCTEOSA-N 296.418 3.581 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 78973141 RWCSLLYRDNBCQS-OLZOCXBDSA-N 294.354 3.699 30 20 CHED C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)[C@H](C)[C@H]1C 418133748 NVXIWBQKGZPEFF-OWCLPIDISA-N 286.419 3.845 30 20 CHED C[C@@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 180938165 NCWVGYCGFAAXOD-LLVKDONJSA-N 293.208 3.553 30 20 CHED CCC[C@H](O)CSc1nc(-c2ccccc2)ccc1C#N 412991751 JGLFPFKZPDBUHL-HNNXBMFYSA-N 298.411 3.873 30 20 CHED COc1cc(C#N)ccc1CN(C)C[C@@H](C)c1ccccc1 501188138 RUPHARNXMKMXBZ-OAHLLOKOSA-N 294.398 3.802 30 20 CHED N#Cc1cc(Br)ccc1NCc1ccsc1 132690784 QJCAPYPUILARDD-UHFFFAOYSA-N 293.189 3.994 30 20 CHED N#Cc1cccc(C/N=C(/O)N2CCCC23CCCCC3)c1 328899707 ZAKUDLLLUDVWRX-UHFFFAOYSA-N 297.402 3.771 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 414135480 CKCYVCYLOHPFSW-DZUCGIPZSA-N 291.822 3.909 30 20 CHED C=CCN(CC=C)Cc1ccc(OC(F)F)c(OCC)c1 505876232 GVFUDGYLHPQGJF-UHFFFAOYSA-N 297.345 3.861 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)CSc1ccccc1 410828243 NEPSGSWFHQKCOA-KGLIPLIRSA-N 290.432 3.565 30 20 CHED N#C[C@H](C(=O)c1ccco1)c1nc(-c2ccccc2)cs1 41536142 MFFNYARQYWIYNW-GFCCVEGCSA-N 294.335 3.893 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1sccc1C#N 508004366 YFBGTCGARZLZAK-UHFFFAOYSA-N 284.384 3.593 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/CC1CCOCC1 194613792 NGNPRMOXGQXFRD-LZYBPNLTSA-N 288.174 3.545 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1c(Cl)cccc1Cl 417625035 LJWQXJRPEMDQSL-VIFPVBQESA-N 288.174 3.502 30 20 CHED N#Cc1cccc(CSCC2CC(F)(F)C2)c1 419499678 CEFINSBFJBWTSA-UHFFFAOYSA-N 253.317 3.837 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc2cc(C)ccc2o1 410830518 VYSOTVKTEXPARA-CYBMUJFWSA-N 270.332 3.506 30 20 CHED Cc1ccc(CCC(=O)N[C@](C)(C#N)CC(C)C)c(C)c1 503649083 LEWNBXFBYDIQNO-SFHVURJKSA-N 286.419 3.681 30 20 CHED N#Cc1ccc(NC[C@H]2CCC3(CCCCC3)O2)c(F)c1 228036899 KEUUAIBKBNRNLX-CQSZACIVSA-N 288.366 3.991 30 20 CHED N#Cc1c(F)cccc1OCc1ccc2ncccc2c1 133641651 MPRRAKCWHKXDTQ-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(COC(C)C)cc1 194433532 VQZLOHTULVCYLM-CQSZACIVSA-N 291.391 3.531 30 20 CHED N#CCC1(CNc2ccc(OC(F)(F)F)cc2)CC1 88249482 ZDJWLNREYWXMCS-UHFFFAOYSA-N 270.254 3.691 30 20 CHED CC[C@H]1CC[C@H](C)N1C(O)=Nc1nccn1-c1ccccc1 328749562 QCFWCKJVXQDATE-KBPBESRZSA-N 298.390 3.681 30 20 CHED C=CCCCC(=O)Nc1cc(F)ccc1OCC1CC1 192174919 NWSFDXJAJORRMV-UHFFFAOYSA-N 277.339 3.909 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CCCC[C@@H]1C(F)(F)F 329573508 VDXZRIHSRWHSQX-ZJUUUORDSA-N 287.285 3.742 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccs1 48944851 MZGTZSVGVHUIJX-UHFFFAOYSA-N 286.356 3.659 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(OCCCC#N)c1 190761736 NIFRZAQPXQDYHZ-KRWDZBQOSA-N 286.375 3.910 30 20 CHED C=CCN(C)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 429342676 BGSRUKOJVCMJBI-UHFFFAOYSA-N 272.270 3.664 30 20 CHED Cc1ncc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)s1 80455844 GGNPPLSUGZNMHB-SECBINFHSA-N 291.401 3.522 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC=C(c2ccccc2)C1 335109439 MAZSTKSLXPAGIQ-UHFFFAOYSA-N 255.361 3.515 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@]1(C#N)C[C@@H]1C 336209325 KAUDFDCDNSIMLB-TVQRCGJNSA-N 282.265 3.502 30 20 CHED C[C@H](C(=O)Nc1cccc(F)c1F)c1cccc(C#N)c1 336536388 MRBUCPLPQVFFHY-JTQLQIEISA-N 286.281 3.579 30 20 CHED C=CC(C)(C)c1nc(-c2ccsc2Cl)no1 420503937 PDIXURXWRBNPEQ-UHFFFAOYSA-N 254.742 3.915 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)CCCC(F)(F)F 426084773 MLOCURRZSWAFTI-NSHDSACASA-N 280.334 3.715 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 336282705 BNOYPSWCUBJNKK-BXUZGUMPSA-N 288.778 3.947 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(F)c(C)c1 424720461 ZXEGSXUPCVERCE-GFCCVEGCSA-N 263.356 3.914 30 20 CHED COc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1SC 424319062 DKEJWDHFDPPTEX-MBNYWOFBSA-N 290.432 3.760 30 20 CHED Cc1cccnc1/C(O)=N/C[C@@H]1CCCO[C@@H]1C(C)(C)C 331137238 JAKCWKTZEJJFJJ-ZFWWWQNUSA-N 290.407 3.536 30 20 CHED N#C[C@H]1CC[C@@H](N2CC=C(c3c(F)cccc3F)CC2)C1 334320318 ZOEWQNZOBDZJLC-GXTWGEPZSA-N 288.341 3.746 30 20 CHED CCCCCCCCCC(=O)NCc1cc(C)on1 142732677 FVAAFQMSBCKKRD-UHFFFAOYSA-N 266.385 3.740 30 20 CHED CCN(C(=O)[C@H]1CC1(C)C)c1ccc(C#N)c(Cl)c1 91206581 COAZFIABNUVJFK-GFCCVEGCSA-N 276.767 3.611 30 20 CHED C=CCCCSCc1nccn1CC(F)(F)F 437273806 YWGJKTAIUSXDJV-UHFFFAOYSA-N 264.316 3.645 30 20 CHED N#CCC1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 336497775 VHYVYLLDJWMZTP-UHFFFAOYSA-N 295.745 3.637 30 20 CHED C=CCC(C)(C)C(=O)Nc1nnc(CCCCC)s1 432415255 NCYXIADPYDWBMC-UHFFFAOYSA-N 281.425 3.812 30 20 CHED C[C@@H]1CCC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 246599476 QJUSMPXEIAFHEY-AGIUHOORSA-N 282.343 3.830 30 20 CHED C=CCn1c(S[C@H](C)C(C)C)nnc1-c1ccncc1 430097320 BUMCLVDLXRYZQW-GFCCVEGCSA-N 288.420 3.663 30 20 CHED CC(C)CCN(CC#Cc1cccc(Cl)c1)CCC#N 437583828 YDPMHDKYWIHXGG-UHFFFAOYSA-N 288.822 3.953 30 20 CHED COC[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](C)CCC#N 602638722 GSZQSXAOKYLAEH-XJKSGUPXSA-N 294.826 3.899 30 20 CHED C[C@@H](COc1ccc(Cl)c(Cl)c1)NC[C@@H](C)C#N 520724367 CKRRUBRHJZLISD-UWVGGRQHSA-N 287.190 3.510 30 20 CHED C=CCN(C(=O)c1cc(C(C)C)c(O)cc1C)C1CC1 436645115 LOIUUXIHMWMSGR-UHFFFAOYSA-N 273.376 3.615 30 20 CHED COc1cccc([C@H]2C[C@H](N(C)C[C@H](C)CCC#N)C2)c1 602685797 MJEBQXOBKZBTRN-DJIMGWMZSA-N 286.419 3.813 30 20 CHED COc1ccc(Cl)cc1NC[C@@H](C)CCC#N 602489733 OAJHJPMABBXNJI-JTQLQIEISA-N 252.745 3.700 30 20 CHED Cc1cc(C)c2cc(C(=O)N(CCC#N)CC3CC3)[nH]c2c1 349430455 HZCDINYCTMFDRD-UHFFFAOYSA-N 295.386 3.551 30 20 CHED N#Cc1c(F)cccc1CNc1cc(F)cc(F)c1F 431090234 XVNOAGRXXUTZJX-UHFFFAOYSA-N 280.224 3.727 30 20 CHED CCC(C)(C)c1n[nH]c(=N[C@H](CCC#N)c2ccccc2)o1 603318686 XAEMILJGHKMNCG-CQSZACIVSA-N 298.390 3.636 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC[C@H](c3ccccc3)C2)n1 602636712 ZLVLOJRMSVDPRM-DLBZAZTESA-N 291.398 3.769 30 20 CHED CCc1ccc(CN(CCC#N)Cc2ccccn2)s1 538738935 MNXHNVJMGXUBTR-UHFFFAOYSA-N 285.416 3.621 30 20 CHED C=CC[C@H](CO)CN[C@H](CC)c1cc(Cl)ccc1OC 341878278 MUZHVGXCHBIPPM-SWLSCSKDSA-N 297.826 3.574 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc2ccc(Cl)cc2n1 438061720 BLJZEQBQXLPFTR-JTQLQIEISA-N 274.751 3.583 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccccc2)C2CCC2)n1 602542396 TWUQHYVLEYMVDQ-SFHVURJKSA-N 277.371 3.584 30 20 CHED COc1cc(C)ccc1N[C@H](C#N)Cc1ccccc1 603954739 GAPFVAGFHZQNRA-HNNXBMFYSA-N 266.344 3.550 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2cc(C#N)ccc2F)C1 525641005 OLBFHOSFBGGRHV-CHWSQXEVSA-N 260.356 3.708 30 20 CHED C=CCCN(C)C(=O)Nc1cc(-c2ncco2)ccc1C 341618002 DEXIQACWUVKUSM-UHFFFAOYSA-N 285.347 3.690 30 20 CHED COc1ccc(CN2C[C@H](C)CCC[C@@H]2C)cc1C#N 340204250 LENBXQNWHHLMPE-KGLIPLIRSA-N 272.392 3.577 30 20 CHED CC1(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CCC1 349477931 UHFBOJHXHWHSFI-LBPRGKRZSA-N 296.292 3.576 30 20 CHED C[C@H](CCC#N)CNC[C@H]1CCCN1CC1CCCCC1 602535486 OEGSYUHNTNFBHB-SJLPKXTDSA-N 291.483 3.561 30 20 CHED C[C@@H](CCC#N)CN(C)CC1(c2ccccc2)CC1 602627232 UUKKHDILOYOTGX-HNNXBMFYSA-N 256.393 3.590 30 20 CHED CCC(C#N)(CC)c1nc(C2(c3ccc(F)cc3)CC2)no1 528220503 PXUXRINHCOPVTP-UHFFFAOYSA-N 299.349 3.870 30 20 CHED CC[C@@H](C)NC(=O)c1ccc(NC[C@@H](C)CCC#N)cc1 602644207 ANHPMZHUCFCLDG-UONOGXRCSA-N 287.407 3.567 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(Cl)ccc1OC(F)F 299149376 DTLYHGMDLYLUKU-SECBINFHSA-N 288.725 3.533 30 20 CHED CCOC(=O)[C@H](CC)SCC#Cc1cccc(Cl)c1 448111912 QNBBHEHIWMUJOU-AWEZNQCLSA-N 296.819 3.766 30 20 CHED CCc1nnc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c(C#N)c1CC 250132065 JYXQZXTZWJFEDF-XHBSWPGZSA-N 286.423 3.710 30 20 CHED CC(C)N(C)c1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442887321 XSNZAZGPAZTRDW-ZFWWWQNUSA-N 257.381 3.635 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 608960600 QXSYERIAZDQLOC-BFHYXJOUSA-N 264.413 3.647 30 20 CHED Cc1ccc(C=NOCC(=O)Nc2ccc(C)cc2C)cc1 255865162 LHONFWSJNQVPLP-UHFFFAOYSA-N 296.370 3.601 30 20 CHED C=CCCCC[C@H](C)NCC1CCN(C2CC2)CC1 449285294 CYHIYLFMIGQXEA-HNNXBMFYSA-N 264.457 3.585 30 20 CHED Cc1cc(CNCc2cc3ccccc3[nH]2)ccc1C#N 443958054 KHWCWOWWKIRQII-UHFFFAOYSA-N 275.355 3.638 30 20 CHED N#Cc1ccc(OC(=O)/C=C\SCc2ccco2)cc1 254985681 XTJVHAFWOPOWEI-CLFYSBASSA-N 285.324 3.504 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2noc3ccccc23)c1 357658967 JKLSOLHUNSDZPC-UHFFFAOYSA-N 291.310 3.514 30 20 CHED C=CCCCCCN(C)C(=O)COc1ccc(C)cc1 606814271 IJVRZBDZVOTVCT-UHFFFAOYSA-N 275.392 3.579 30 20 CHED C=CCC[C@H](NCC1([C@H](O)C(C)C)CC1)c1ccco1 353614390 SOVHXAHDEDOUFI-GOEBONIOSA-N 277.408 3.674 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 449699407 QNAIGCWQUPKSSO-MROQNXINSA-N 299.867 3.810 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cc(C#N)[nH]c2C)c1 448668824 VWFQRYQRDKJURW-AWEZNQCLSA-N 295.386 3.645 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cc2ccccc2s1 449546900 FFOSFJDGQYAZLZ-CABCVRRESA-N 273.401 3.725 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc(C(C)C)n1 354320565 SKPCQQSAQXRJFL-UHFFFAOYSA-N 287.407 3.607 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCC(=O)C[C@@H]2C)CCCC1(C)C 443868438 NKOYAFUXGWVJNE-IMJJTQAJSA-N 291.435 3.585 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ccccc1OC(F)F 267026725 AEAQCFLPRVXBSX-NSHDSACASA-N 283.318 3.822 30 20 CHED CCN(CCCC(C)(C)C#N)c1ccc(OC)c(OC)c1 266946475 YGXCUNBPNYAPGJ-UHFFFAOYSA-N 290.407 3.860 30 20 CHED C=CCCC1(C(=O)Nc2ncc(CCC)s2)CC1 356705382 SQZSKRRYEWPDRG-UHFFFAOYSA-N 264.394 3.781 30 20 CHED CC(C)c1cc(N[C@@H]2CCc3cc(C#N)ccc32)ncn1 618693766 OWOMVRVJJRJCLW-OAHLLOKOSA-N 278.359 3.571 30 20 CHED Cc1ccnc(N2CCc3cc(F)ccc3[C@@H]2C)c1C#N 613284298 DPBFTQMMMHFDPR-LBPRGKRZSA-N 281.334 3.525 30 20 CHED C=CCC[C@@H](NCc1ccncc1OCC(F)F)C1CC1 442870484 DCOXTQRYIBODEH-CQSZACIVSA-N 296.361 3.560 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C)CCC#N)C1 351187068 VNVSZFYIBDSONV-OWCLPIDISA-N 256.393 3.865 30 20 CHED CC[C@H](C)[C@H](C)NCc1ccc(C#N)cc1Br 612462172 BAAXCEIFOZZKAR-QWRGUYRKSA-N 295.224 3.845 30 20 CHED CCCCN(C(=O)CCCC#N)[C@H]1CCC[C@@H](C)C1 359337121 RSZYYOWJFTXSQS-CABCVRRESA-N 264.413 3.888 30 20 CHED CC[C@@H](C)n1ncc(NCc2ccc(C#N)c(C)c2)c1C 444003453 ISHZTBVMQHLGEU-CYBMUJFWSA-N 282.391 3.955 30 20 CHED C=CCCC1(C(=O)Nc2cnc([C@H](C)CC)nc2)CC1 358174267 ASUCBPFLFYTBKD-GFCCVEGCSA-N 273.380 3.675 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CCCCC1(C)C 354178624 LRUHZBGTKFLLHU-CYBMUJFWSA-N 279.428 3.584 30 20 CHED CCCCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)C1CC1 610407206 XUYAHYHKMXOWTM-ZDUSSCGKSA-N 285.391 3.593 30 20 CHED C[C@@H]1CCN(c2ccc(C#N)cc2F)CC12CCC2 537824103 XOVAQGICJKOIMF-GFCCVEGCSA-N 258.340 3.714 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1Cl)c1nc(C)cs1 264341971 YLVVSHXJFKIIQO-LLVKDONJSA-N 292.795 3.935 30 20 CHED N#Cc1ccc(CC(=O)N2CCC(C3CCCC3)CC2)cc1 610297588 BFABDFKNRZCRFU-UHFFFAOYSA-N 296.414 3.530 30 20 CHED N#CCCCC(=O)Nc1ccc(Oc2ccncc2)cc1 360150571 MMYVVCNQTXMPEV-UHFFFAOYSA-N 281.315 3.506 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CC2(CCCC2)[C@@H]1C(C)C 457105138 CJBIPOSEGRORHS-RDJZCZTQSA-N 293.451 3.642 30 20 CHED C#CCCCCNC(=O)N(Cc1cccc(F)c1)C(C)C 268327334 LPGOCMDZFJTLBN-UHFFFAOYSA-N 290.382 3.549 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 617778926 RCBRUNOHEDJKKO-STQMWFEESA-N 271.351 3.627 30 20 CHED C=C(C)CN(C)C(=O)c1oc2ccccc2c1CSC 611499290 WLTMZQXOFRWUMS-UHFFFAOYSA-N 289.400 3.944 30 20 CHED C=C(CC)CNC(=O)CCCc1ccccc1Cl 456809292 BCIOHLGLCQKRSG-UHFFFAOYSA-N 265.784 3.745 30 20 CHED C[C@@H](NCC(C)(C)C#N)[C@H](C)c1ccc(Cl)cc1 619428867 IVXGXAVTVOSJCC-NWDGAFQWSA-N 264.800 3.971 30 20 CHED C[C@H](NC(=O)N1C2CCCC1CCC2)c1ccc(C#N)cc1 610348868 VOBUNWVYHAGUCX-IGEOTXOUSA-N 297.402 3.736 30 20 CHED C=C(CC)CNC(=O)NCc1cc2ccccc2s1 454393816 YXAUKIXZUQVDSD-UHFFFAOYSA-N 274.389 3.667 30 20 CHED C=C(CC)CN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 453370938 RIMJGCFERWRDRQ-WMLDXEAASA-N 277.383 3.849 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CC(C)(c2ccccc2)C1 459525156 GSQHHAGQANUVBE-ZTRSQXPZSA-N 285.431 3.678 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 611072881 NQDFCCZHAWDDHK-RBSFLKMASA-N 264.413 3.503 30 20 CHED C=CCCC[C@H](C)NC1CCC(c2nc(C)no2)CC1 368354433 INCCSULIRAVMQP-GRTSSRMGSA-N 277.412 3.739 30 20 CHED C=C(C)CCNc1ccc2c(c1)CN(CC(F)(F)F)C2 453161561 OVUKKJDYJPCHSJ-UHFFFAOYSA-N 284.325 3.943 30 20 CHED CC1(c2ccccc2)CC(NCc2ccc(C#N)cc2F)C1 545253562 AAQLVUAGTOXOFE-UHFFFAOYSA-N 294.373 3.907 30 20 CHED C[C@H](NC(=O)N(CC1CC1)C1CCC1)c1cccc(C#N)c1 619428676 RTWTVNLIWIISQO-ZDUSSCGKSA-N 297.402 3.593 30 20 CHED C=CCC1(c2nc(-c3ccncc3)no2)CCCC1 453026940 OHMNJQDVENVMPJ-UHFFFAOYSA-N 255.321 3.520 30 20 CHED C=CCCO[C@@H](C)c1nc([C@@H](C)SCC)no1 273940440 MLBQLQRSERXLJJ-VHSXEESVSA-N 256.371 3.537 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1=CC[C@H](C)CC1 455427869 PHVDNRYLBZQFQV-AWEZNQCLSA-N 262.397 3.521 30 20 CHED C[C@H]1Sc2ccccc2N(C(=O)CC(C)(C)C#N)[C@@H]1C 279067449 TUPMAHGXWYQKNK-VXGBXAGGSA-N 288.416 3.842 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccc(Cl)cc1 454170036 XHOWFOWRCZGGRJ-LLVKDONJSA-N 266.772 3.666 30 20 CHED C=CCC(C)(C)c1noc(C(C)(C)OC(C)C)n1 453180618 AZDBSJZZHSWDNU-UHFFFAOYSA-N 252.358 3.583 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn(CC)c1-c1ccccc1 277668481 XEZDIQCTJHXGSE-UHFFFAOYSA-N 297.402 3.608 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCC(C)(C)CC#N 459227763 BXIDYKLHDIACQT-UONOGXRCSA-N 293.455 3.782 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)CC12CCC2 271250407 HQTJAHOXAFYDBS-ZDUSSCGKSA-N 283.375 3.602 30 20 CHED C=CCCCCNC(=O)c1c(F)cccc1Cl 274454136 IDJIALFJZWTTMX-UHFFFAOYSA-N 255.720 3.565 30 20 CHED C=CCCN(C)C(=O)c1ccc(Cl)c(Cl)c1 276403924 OOKZSKBEWFOZLK-UHFFFAOYSA-N 258.148 3.642 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC1CCC1 376783148 RBKSFVIKFFVKBS-ROUUACIJSA-N 296.414 3.865 30 20 CHED C=CCCc1nc([C@H](OC)c2ccccc2Cl)no1 274130539 VXLMMSBXGYECCS-CYBMUJFWSA-N 278.739 3.577 30 20 CHED Cc1ccc(C)c(NC(=O)NCCc2cccc(C#N)c2)c1 466811695 IGBLCQKNPPQFNC-UHFFFAOYSA-N 293.370 3.539 30 20 CHED CC(C)(C)[C@@H](NCc1ccc(CC#N)cc1)C(F)(F)F 545214642 JIIJNGQVQDEPPU-CYBMUJFWSA-N 284.325 3.819 30 20 CHED N#Cc1cccc(OCCNc2cccc(Cl)c2)c1 462219544 XATKLSFZGLQNQU-UHFFFAOYSA-N 272.735 3.703 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCCc1cccc(C#N)c1 467442134 KBKONONOIOPGEV-BFUOFWGJSA-N 294.373 3.763 30 20 CHED CCC1(CC)CCN(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462204679 ARDSKLCECGYORX-CQSZACIVSA-N 284.403 3.700 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)c1ccccc1 467822163 QZGDGAWEXZSYEF-UHFFFAOYSA-N 257.377 3.806 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(OC(F)F)nc1 558885483 FHUBNNUDQRPIMX-JTQLQIEISA-N 299.321 3.549 30 20 CHED C=CCCOCCN[C@@H]1C[C@H](c2ccccc2)C1(C)C 464058986 VOBVNDUHQXPLLT-IAGOWNOFSA-N 273.420 3.751 30 20 CHED CC1(C)[C@H](NCC2(CC#N)CC2)C[C@@H]1c1ccccc1 370668316 VEPSYTCLMLJCEB-HZPDHXFCSA-N 268.404 3.852 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](c1ncc[nH]1)C(C)C)c1ccccc1 283034101 OWCDJIQOWOIELJ-WMLDXEAASA-N 297.402 3.583 30 20 CHED COC[C@@H](C)O/N=C(\C)c1csc(-c2ccccc2)n1 286416662 ORQXFDBISVPKJX-ZWLCBZGVSA-N 290.388 3.586 30 20 CHED CC[C@@H](C)N(C(=O)c1ccc(C#N)s1)[C@H](C)CC 467202659 TVUAVYOGSDCMPY-GHMZBOCLSA-N 264.394 3.659 30 20 CHED C=CCNC(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 460695758 FCSLGONHQUFRCS-INIZCTEOSA-N 286.419 3.570 30 20 CHED C=CCCC[C@@H](C)NC1CCC(C)(C(=O)OCC)CC1 474880795 GLYPQJNDIVRTAT-HPUBIQBYSA-N 281.440 3.833 30 20 CHED C=C[C@H](C)NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1 473863698 KDUYJCKPMNMFJE-NSHDSACASA-N 297.320 3.719 30 20 CHED CCCCOc1ccc(CCNc2cnccc2C#N)cc1 556960136 ZRZRZMOKXNMWHT-UHFFFAOYSA-N 295.386 3.787 30 20 CHED C[C@@H](CCC(=O)OCCCSCC#N)c1ccccc1 805512020 ZGGYHJAAXCDESS-AWEZNQCLSA-N 291.416 3.760 30 20 CHED CCc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1C 385130308 YBEMILBHLKZTAW-UHFFFAOYSA-N 278.355 3.610 30 20 CHED CC[C@@H]1CC[C@H]1NCCSCc1ccccc1C#N 554349561 WJALDPJIANBZGH-CZUORRHYSA-N 274.433 3.570 30 20 CHED Cc1ccc(OC(F)F)c(CON=C2CCC2)c1 292070301 KZIKENIMGNIAIP-UHFFFAOYSA-N 255.264 3.653 30 20 CHED C=CCn1c(CC)nnc1N1CCC[C@@H]1c1ccc(C)cc1 554921331 QWEKEPAOXNLHTN-MRXNPFEDSA-N 296.418 3.676 30 20 CHED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)CCO[C@H](C)C#N 801925087 ZEEVJPWLDRRFAT-RDBSUJKOSA-N 294.826 3.692 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Cl)ccc1OC 297579045 RUPSKJODOVVPBX-UHFFFAOYSA-N 267.756 3.889 30 20 CHED CC(C)CN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 299350404 HQCCWSVWDKWJPF-UHFFFAOYSA-N 273.380 3.607 30 20 CHED CCCOc1ccc(NC(=O)C2(C#N)CC(C)C2)c(C)c1 567943257 DQOOJRXWIKSCOX-UHFFFAOYSA-N 286.375 3.662 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc2nc(O)oc2c1 645478394 PGSMGHMLFVJWTG-NSHDSACASA-N 274.364 3.786 30 20 CHED CCc1cc(C#N)c(NC(=O)CCC(C)C)s1 298861588 PZSYPAXHEFPVLZ-UHFFFAOYSA-N 250.367 3.557 30 20 CHED C=CCC(C)(C)CNCc1c(C)nn(-c2ccccn2)c1C 293127579 ZNZIVUURJJIQEM-UHFFFAOYSA-N 298.434 3.576 30 20 CHED C=CCC(C)(C)c1noc(C2(CCOC)CCCC2)n1 560026434 BFTUWGHCHJEMTQ-UHFFFAOYSA-N 278.396 3.772 30 20 CHED CCn1nccc1/C=C/C(=O)c1c(F)cccc1Cl 809159220 KUDGQNDDPXTRMP-VOTSOKGWSA-N 278.714 3.592 30 20 CHED C=CCN(CCc1ccccc1)[C@@H](C)c1ccc(C(=O)O)o1 566358963 AMSBOLLJWJJDBI-AWEZNQCLSA-N 299.370 3.770 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccccc1Oc1ccncc1 802219237 UBAGVGMOFSKXPU-ZDUSSCGKSA-N 296.326 3.723 30 20 CHED Cc1cccc2cc(C(=O)OC[C@H](C)C#N)sc12 808992194 PXNCLWFUEFUNGP-SECBINFHSA-N 259.330 3.526 30 20 CHED CCSCCC/N=C\c1ccc(N(CC)CC)cc1O 800721478 ODLWSXAVEHJQKO-LGMDPLHJSA-N 294.464 3.801 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](c3cccc(F)c3)C2)CC1 475646081 PDTQXJXIBJFNHF-HNNXBMFYSA-N 287.378 3.888 30 20 CHED C=CCCCCCCNC(=O)Nc1cccc(C)n1 806404391 AVYUZAZUEZZNIW-UHFFFAOYSA-N 261.369 3.648 30 20 CHED C=C(C)CNc1ccc(Cl)cc1OCC(F)F 809195401 JBAZZLFSDAQTJQ-UHFFFAOYSA-N 261.699 3.972 30 20 CHED C=CCCCCCCNC(=O)c1cnc(C)nc1C(C)C 805219067 UOQNNHPDARCSJR-UHFFFAOYSA-N 289.423 3.775 30 20 CHED C=CCC[C@H](CCC)NC[C@]1(CO)C[C@H]1c1ccccc1 562102917 IELTXMOTRZPKIA-FHWLQOOXSA-N 287.447 3.877 30 20 CHED Clc1ccc(C#CCN2CC[C@H](c3ccncc3)C2)cc1 647933875 JMGWSCUVXYFPCO-KRWDZBQOSA-N 296.801 3.576 30 20 CHED C=CCCCCNC(=O)c1ccc(Oc2cccnc2)cc1 471677219 GOWWZSFWAAVOSI-UHFFFAOYSA-N 296.370 3.960 30 20 CHED Cc1cccc2[nH]c(=NCc3cccc(C#N)c3)sc12 479944493 YBLUCPIRBLRVCS-UHFFFAOYSA-N 279.368 3.510 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H]2CCCC(F)(F)C2)c1 800721847 SXGQGIQLUGUVND-IPHDDYSGSA-N 283.318 3.645 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(Cc3ccc(F)cc3)CC2)C1 293196113 UCQQPYQDITUICG-FUHWJXTLSA-N 286.394 3.772 30 20 CHED CCOc1ccc(NN=C2C[C@H](OCC)C23CCC3)cc1 814985633 MYJPMVHBHDHCGP-INIZCTEOSA-N 288.391 3.832 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H]2C[C@H]3C=C[C@H]2CC3)cc1 817410113 JYULIGQKPYNNLD-MXSMSXNCSA-N 296.414 3.669 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CCC[C@@H](F)C1)c1ccccc1 564728811 FUJBJTKFXUPILU-FVQBIDKESA-N 275.367 3.743 30 20 CHED C(=NNC[C@@H]1CCSC1)c1cccc2ccccc12 811659030 RTYZAKXFJCTOFF-ZDUSSCGKSA-N 270.401 3.516 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cccc(OCCC)c1 489966803 RDHRSVUUEFIVTD-UHFFFAOYSA-N 289.419 3.736 30 20 CHED C=CCCCCNC(=O)Nc1ccnn1[C@H](C)CC(C)C 481446177 BJNKRJGWUUFFME-CQSZACIVSA-N 292.427 3.968 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(-c2ccccn2)cc1 810333337 WQJPXHBEVBWOFS-UHFFFAOYSA-N 287.750 3.623 30 20 CHED C=CCN(Cc1cc(Cl)c(F)cc1O)C(C)C 816490580 YJDVIPSDVYMRNC-UHFFFAOYSA-N 257.736 3.581 30 20 CHED CCN(C(=O)C1(F)CCCCC1)c1ccc(C#N)cc1 813027442 NSECTXZNOAALEA-UHFFFAOYSA-N 274.339 3.584 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H]1C[C@H](C)O[C@H](C)C1 577267424 JNBUEEZOGUNBIZ-MVJTYMMSSA-N 273.420 3.719 30 20 CHED Cc1cc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)ccc1C#N 488979840 LCNRRGNZVZSRHI-UHFFFAOYSA-N 296.418 3.519 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCc2ccccc2[C@@H]1C 572777036 ZCGOABNJYXXGLW-AWEZNQCLSA-N 296.418 3.540 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2ccccc2C1 570048408 TUFJAXUWZYPKFZ-RHSMWYFYSA-N 271.404 3.653 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 815503199 KMGBJFRPKUUPIU-LBPRGKRZSA-N 267.319 3.692 30 20 CHED Cc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc(C)c1F 489030540 HUROFIOGVNIYSP-PIGZYNQJSA-N 288.366 3.645 30 20 CHED Oc1ccc(-c2ccccc2)cc1C=NOCC1CC1 814243197 KVEJWPOJYNEFFY-UHFFFAOYSA-N 267.328 3.820 30 20 CHED CC1(C)CCC/C(=C/c2cccc(F)c2C#N)C1=O 811692407 FKYBEEZRALYTKL-XFXZXTDPSA-N 257.308 3.860 30 20 CHED C[C@H]1CCCN(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 726433453 ISJATURVUIHDFO-JTQLQIEISA-N 293.823 3.640 30 20 CHED C=C(C)CCNC[C@H](O)c1ccc(Cl)cc1Cl 819345924 AMNCBQYRKLWZGW-ZDUSSCGKSA-N 274.191 3.583 30 20 CHED CC[C@H](C)NN=C/C(C)=C\c1ccccc1COC 814227308 GBEFKKSGHAQILL-MHUGYEHMSA-N 260.381 3.610 30 20 CHED C=CCC(F)(F)C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 815914980 ZQCBZGPHCDCMGP-QWRGUYRKSA-N 297.320 3.871 30 20 CHED C=C[C@H]1CCCCN1C(=O)COc1ccc(Cl)cc1C 488835103 YKCGMYJKGNZGBX-AWEZNQCLSA-N 293.794 3.594 30 20 CHED CCC[C@@H](C)CC(=O)OCc1ccc(F)cc1C#N 728625744 JVJMSPOKSFFCDF-LLVKDONJSA-N 263.312 3.567 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H](CCC)CCO 657896796 VZZNFSDFOOUOAI-OAGGEKHMSA-N 253.430 3.510 30 20 CHED COc1cc(OC[C@]2(C)CC2(Cl)Cl)ccc1C#N 829493397 SVAJQPVLCBAYBN-LBPRGKRZSA-N 286.158 3.530 30 20 CHED CN(C/C=C\c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 571721368 CQFHZKMLASHCGN-IHWYPQMZSA-N 298.336 3.982 30 20 CHED C#Cc1cccc(NC(=O)N2CCC(C)(CC)CC2)c1 729552114 CLJMFZQZPSGSFU-UHFFFAOYSA-N 270.376 3.712 30 20 CHED C=CCC1(NCCC2CCCCC2)CCOCC1 668551290 JJJOFYYLKRTVCL-UHFFFAOYSA-N 251.414 3.672 30 20 CHED C#CC[C@@H](OC(=O)c1cc(C)sc1C)c1ccccn1 727776318 ZJQOQSMULLAYIA-OAHLLOKOSA-N 285.368 3.681 30 20 CHED C=CC[C@@H](CC)NCCC(=O)Nc1cccc(Cl)c1 577215976 CDFKFHVJEYCLEU-CYBMUJFWSA-N 280.799 3.613 30 20 CHED C#Cc1ccc(C(=O)NC2CCC(CCCC)CC2)cn1 728817980 YIBIRHPKIDTBKQ-UHFFFAOYSA-N 284.403 3.542 30 20 CHED C=CCN(C(=O)CO[C@@H]1CCCC[C@@H]1C)c1ccccc1 497575896 XXHSBZNUNCXXIY-DOTOQJQBSA-N 287.403 3.801 30 20 CHED N#CCCCCCC(=O)NCc1cc2c(s1)CCCC2 588151892 OEYVXZKBOOQFFN-UHFFFAOYSA-N 290.432 3.717 30 20 CHED Cc1noc(C)c1-c1ccc(C2(C#N)CCC2)cc1 906164944 NTGBUKMBWTXXSO-UHFFFAOYSA-N 252.317 3.904 30 20 CHED COc1ccccc1C=NOCc1ccc2c(c1)CCC2 734482386 AAUGJPVNJRYHQG-UHFFFAOYSA-N 281.355 3.735 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 822268823 HVGXYGCKTAQZMA-UHFFFAOYSA-N 288.435 3.703 30 20 CHED C=CC[C@@H]1N(C(=O)NCc2occc2C)CCCC1(C)C 494630761 KQELBOVPJDXDRB-HNNXBMFYSA-N 290.407 3.864 30 20 CHED CC(CCC1CCCC1)=NNc1cccc(-c2nn[nH]n2)c1 735986070 PVOXGLMRFZFKSU-UHFFFAOYSA-N 298.394 3.625 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc([C@@H]2CCOC2)cc1 820702407 RNXIDDUCCSEFDA-UKRRQHHQSA-N 273.376 3.731 30 20 CHED Cc1ccc(C(=O)OCc2ccc(OCC#N)cc2)c(C)c1 733393159 MZRXDBJCBPLMOB-UHFFFAOYSA-N 295.338 3.563 30 20 CHED N#Cc1ccc(OCCCCC2(C#N)CCC2)cc1F 901492178 ABQQKWMZYTVEIH-UHFFFAOYSA-N 272.323 3.940 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cc(C)cc(C)c1)C(C)C 730674278 JPZOQLWEUJWJJR-HNNXBMFYSA-N 274.408 3.970 30 20 CHED Cc1ccc(C=NNc2cnnc3ccccc23)cc1C 733749827 AUBBGSTXGPCQAB-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C=CC[C@@H]1CCCN(Cc2c(C)nn(CCC)c2C)C1 668493022 IWINOCCEWAOSCS-MRXNPFEDSA-N 275.440 3.698 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2OC)C1 664332808 HXNPKPCGHYZDSA-CYBMUJFWSA-N 274.364 3.515 30 20 CHED C=CCCCCOC(=O)c1sc(COCC)nc1C 835450109 RJDWZQAZWJTTJI-UHFFFAOYSA-N 283.393 3.501 30 20 CHED C=CCCNC(=O)N1C[C@H](C(C)C)c2ccccc21 665942925 KWECFBIKASYWRH-CQSZACIVSA-N 258.365 3.532 30 20 CHED C=CCCC[C@H](N)c1nc([C@@H](C)c2ccccc2C)no1 904632967 FAHCKVOUEGPGFT-ZFWWWQNUSA-N 285.391 3.886 30 20 CHED C#Cc1cccc(CN[C@H](C)[C@H](OC)c2ccccc2)c1 834903415 PKLYCKMXYYOKTB-BEFAXECRSA-N 279.383 3.534 30 20 CHED C#CCO[C@@H](C)c1nc(C(C)(C)C2CCCCC2)no1 834718388 UPVQPEIMWVBPIZ-LBPRGKRZSA-N 276.380 3.638 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@](CC)(C(=O)O)c1ccccc1 901900739 ZHUDGBRMBWMSNL-RLFYNMQTSA-N 289.419 3.609 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(O)Cc1ccc(F)cc1 901374276 HWDGBGQPIQSBNV-GXTWGEPZSA-N 279.355 3.760 30 20 CHED CC(=NNc1cc(C(F)(F)F)ccn1)C1CCC1 834984021 KTEDJOISRGLKPN-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C#CCOc1ccc(C(C)=NNc2cccc(OC)c2)cc1 733203679 VSFDZRAYSSPCKE-UHFFFAOYSA-N 294.354 3.543 30 20 CHED C=C(Cl)CNC(=O)c1ccc(SC(C)C)cc1 736239494 YRZMPZIWJXVOBC-UHFFFAOYSA-N 269.797 3.669 30 20 CHED Cc1cccc(N(C)Cc2ccc(OCC#N)cc2)c1 731212458 NDVRBFMADMHDLH-UHFFFAOYSA-N 266.344 3.534 30 20 CHED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccsc1 589344248 VQDOHOFGSZQJOD-BDJLRTHQSA-N 268.385 3.958 30 20 CHED Cc1cc(F)ccc1/C=C1/COc2ccc(F)cc2C1=O 731565475 QLMPZUDYSUEGCA-GHXNOFRVSA-N 286.277 3.932 30 20 CHED COc1ccc(NC(=O)c2sccc2C2CC2)cc1C#N 830420668 ONIBNZGTHZCXEA-UHFFFAOYSA-N 298.367 3.758 30 20 CHED C=CCN(C(=O)c1ccc(C(F)(F)F)s1)C1CC1 671789388 SEAYTALDXNZKHN-UHFFFAOYSA-N 275.295 3.558 30 20 CHED CC(=NNCCC(F)(F)F)[C@@H]1CCCC[C@H]1C 834976188 ILOQOONKEUPKBF-MWLCHTKSSA-N 250.308 3.731 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 836560327 ZBIVASQEQTXXLP-YOEHRIQHSA-N 299.418 3.763 30 20 CHED COc1cc(C(C)=NNc2ccc(C)cc2)ccc1O 916249952 GBAFENBKTKFHDS-UHFFFAOYSA-N 270.332 3.545 30 20 CHED C#CCCOc1ccc(C(=O)N(CC)[C@@H](C)C(C)C)cc1 839263509 FAFZSUGKLMFBME-HNNXBMFYSA-N 287.403 3.595 30 20 CHED CC[C@@H](C#N)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 593446204 NEBYGWZLARWBCJ-SUMWQHHRSA-N 282.387 3.605 30 20 CHED CS[C@@H]1CC[C@H](/N=C\c2cc3ccccc3nc2O)C1 743043039 PRMBVOYSZZHMFP-OPABCWLPSA-N 286.400 3.643 30 20 CHED C[C@H](c1ccccc1)n1cnnc1SCC1(CC#N)CC1 594886074 MQFBAHQADGRDIQ-CYBMUJFWSA-N 298.415 3.673 30 20 CHED CCC(=NNc1nc(C(F)(F)F)cs1)[C@@H]1C[C@H]1C 841629675 RMOBPRQDXKGQMY-RNFRBKRXSA-N 277.315 3.996 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 917307992 BQFCUUVHTAVDGD-CYBMUJFWSA-N 262.349 3.697 30 20 CHED COc1cccc(C2(NCCCC(C)(C)C#N)CCC2)c1 595863482 YHTTUSLNXQQLPL-UHFFFAOYSA-N 286.419 3.994 30 20 CHED Cc1csc(NC(=O)N2CCC[C@H](C3CC3)C2)c1C#N 594103468 XOPFYEOEHXMCIW-LBPRGKRZSA-N 289.404 3.582 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)c1cccs1 595062851 WRDJGSJNSPZFTH-LBPRGKRZSA-N 256.374 3.513 30 20 CHED Cc1cnc(CCN[C@@H](C)c2ccc(C#N)cc2F)c(C)c1 592099746 NFLVFTLDFMXXNP-AWEZNQCLSA-N 297.377 3.603 30 20 CHED CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1cc(C)ccc1C 599645141 MXZCRAFFPQUZNS-WBVHZDCISA-N 288.435 3.645 30 20 CHED C=CC1CCN(C(=O)Cc2ccc(CC(C)C)cc2)CC1 599687629 KOFVUCXGTBXKLB-UHFFFAOYSA-N 285.431 3.852 30 20 CHED N#Cc1ccccc1/C=C\C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 915733509 GHJCWEYQKYRJLX-NZKOJWOPSA-N 294.398 3.514 30 20 CHED CC(C)[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(F)cc1 747354850 VEIRTQXLIBHDPH-LJQANCHMSA-N 295.357 3.691 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C#N)C(C)C)c1ccc(Cl)cc1 598829352 ZBVQJIPQGZJPSM-CABCVRRESA-N 292.810 3.888 30 20 CHED C=CCOc1ccc(CC(=O)OC[C@@H](C)CC(F)F)cc1 842440032 HWOUSMUUELXMJH-LBPRGKRZSA-N 298.329 3.628 30 20 CHED CCc1nocc1CON=C(C)c1cc2ccccc2o1 848507741 VOBYUJQFABMDJU-UHFFFAOYSA-N 284.315 3.924 30 20 CHED Cc1ccc(-c2noc(CSCC3(CC#N)CC3)n2)cc1 596335789 IGAQLQPXFTZDTF-UHFFFAOYSA-N 299.399 3.972 30 20 CHED C[C@H](CCC#N)N1CCC(c2ccc(F)c(F)c2)CC1 591013189 BUWYZFVJANWVHT-GFCCVEGCSA-N 278.346 3.836 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1noc2c1CCCC2 591853653 NCBGSQOODQKQMZ-ZDUSSCGKSA-N 295.386 3.618 30 20 CHED N#CC1CCC(CNCc2cc3ccncc3s2)CC1 594935112 CBMIMEPBVRTCLE-UHFFFAOYSA-N 285.416 3.716 30 20 CHED COC[C@@H](CC(C)(C)C)NC1(c2cccc(C#N)c2)CC1 593707572 HLQLQJQKRBXPJN-MRXNPFEDSA-N 286.419 3.588 30 20 CHED N#Cc1ccc(NCc2cccc(F)n2)cc1C(F)(F)F 747845332 IAICGLKFSPTHHG-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]1C1CCC1)c1cccc(C#N)c1 845220887 YRUVFVFEYVUVCB-KNXALSJPSA-N 269.344 3.599 30 20 CHED C#CC1CCN(C(=O)[C@@H](CC)CC2CCCCC2)CC1 843706787 GNSOWKWEKNLBFU-KRWDZBQOSA-N 275.436 3.855 30 20 CHED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C(F)F 590778700 NBRKNTCVOCJASZ-KBPBESRZSA-N 264.319 3.569 30 20 CHED C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 593598086 NFYJPLIEIVHSDJ-BLLLJJGKSA-N 290.794 3.596 30 20 CHED CC(C)CCOc1ccc(NCCO[C@@H](C)C#N)cc1F 848663184 FIOXLGFCYYIZKD-ZDUSSCGKSA-N 294.370 3.591 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1NC1CCC1 846437736 QFIVKJWLESWEBW-UHFFFAOYSA-N 280.318 3.801 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1nc(Cl)c(C#N)s1 841225473 QROXDRWHRFNWHN-DTWKUNHWSA-N 297.811 3.823 30 20 CHED Cc1c(NCC(C)(C)C)cccc1C(=O)O[C@@H](C)C#N 757110656 QRXUYCXFGKVYJA-NSHDSACASA-N 274.364 3.522 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CC[C@H](C)[C@H]1C 685550191 BLCGLYWOHMHDDV-DZGCQCFKSA-N 296.418 3.674 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(CC)cc1)c1ccccc1 757575978 BNDWEIQKNLVURH-GOSISDBHSA-N 277.367 3.743 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2c[nH]c3cc(C)ccc23)C1 855438052 AESIIBAFTCWQAB-HNNXBMFYSA-N 296.414 3.834 30 20 CHED C=C[C@@H](C)Nc1ncnc2cc(F)c(Br)cc12 680829817 RXKZRIZTUBSYFD-SSDOTTSWSA-N 296.143 3.518 30 20 CHED CC(=O)CCCCON=C(c1ccccc1)C(F)(F)F 751955620 MMZSZTWWYFUGDO-UHFFFAOYSA-N 287.281 3.729 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1nccnc1Cl 853308020 XOEUJCYOPXHANS-SNVBAGLBSA-N 264.760 3.664 30 20 CHED N#CC1(CC(=O)O[C@H]2CCCC[C@@H]2F)CCCCC1 851032797 BRTHUSJFRLEFPV-STQMWFEESA-N 267.344 3.674 30 20 CHED CC#CCCCC(=O)N1CCc2ccccc2[C@@H]1CC 680998419 GAYUMDNWAJPWMY-KRWDZBQOSA-N 269.388 3.716 30 20 CHED Fc1cc(F)cc(NN=Cc2csc(C3CC3)n2)c1 920375079 RLSIWOGWNWSWDJ-UHFFFAOYSA-N 279.315 3.745 30 20 CHED CSc1ccc(C(C)=NO[C@H]2CCCCO2)cc1 755821204 ZHIIAFRNIJERMC-AWEZNQCLSA-N 265.378 3.676 30 20 CHED O=C(/C=C\c1cccc(Cl)c1F)c1ccc(O)cc1O 759653075 OGGWGVRCWCXJEB-DAXSKMNVSA-N 292.693 3.786 30 20 CHED C[C@@H]1CCC(=NNc2cncc(Cl)n2)c2ccccc21 752722916 FRNJTNAWRFATRA-SNVBAGLBSA-N 286.766 3.844 30 20 CHED C[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(C)(C)C#N 753616582 PVDCVKCOVXMEFB-VIFPVBQESA-N 290.750 3.916 30 20 CHED C=CCCN[C@H](C)c1cc(Cl)c(Cl)cc1O 850501363 AXMDGNBGPZFOHP-MRVPVSSYSA-N 260.164 3.926 30 20 CHED C[C@@H]1CC/C(=C\C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 753640355 NVZBANVIDYMQRK-AUWXEVLLSA-N 285.391 3.800 30 20 CHED COc1cccc2c1C/C(=C\c1cccc(F)c1F)C2=O 759665894 RRYNLGGAODJAPQ-DHZHZOJOSA-N 286.277 3.796 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N(C1CC1)[C@@H](C)C#N 855582367 GLORKPOYYVMWKJ-KGTBHZDVSA-N 288.778 3.646 30 20 CHED COc1cc(C=NNc2cc(C)ccn2)ccc1SC 755900942 SAYPWUJSGORFIU-UHFFFAOYSA-N 287.388 3.567 30 20 CHED CCc1nn(C)c(CC)c1C=NNc1ccccc1Cl 755470764 DNHGEXMOFKYRSD-UHFFFAOYSA-N 290.798 3.644 30 20 CHED CCCCCCCCC(=O)N[C@H]1Cc2cccc(O)c2C1 760607486 BRFYBSZISLSJPY-HNNXBMFYSA-N 289.419 3.726 30 20 CHED C#CCCCCCC(=O)N1CCSC(CC)(CC)C1 766492565 UPZPHLKZVWISMH-UHFFFAOYSA-N 281.465 3.704 30 20 CHED CC(C)c1ccc([C@H](C)NN=C2CCC(O)CC2)cc1 761781331 FDCIKHONMPVUSQ-CWQZNGJJSA-N 274.408 3.752 30 20 CHED CCC(=NNCc1cnc2ccccc2c1)C1CCOCC1 764779811 VLYPBXBAEYVVJE-UHFFFAOYSA-N 297.402 3.517 30 20 CHED C#Cc1cccc(N(C)C(=O)CO[C@H]2CCCC[C@@H]2CC)c1 766381977 WAHFKRRDHNAOOV-WMZOPIPTSA-N 299.414 3.616 30 20 CHED C=C1CN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 930016376 CFMXFSYTBFZKPK-UHFFFAOYSA-N 285.372 3.577 30 20 CHED C#CCCCC(=O)Nc1ccc(CN2CCCCCC2)cc1 760200793 NFJJLEVJMRQJCS-UHFFFAOYSA-N 298.430 3.805 30 20 CHED COc1ccc(O)c([C@H](C)NCCCCC(C)(C)C#N)c1 769785494 BWOCVLOXYGYTBL-ZDUSSCGKSA-N 290.407 3.771 30 20 CHED CO[C@H](C)C(C)=NNc1cccc(C(F)(F)F)c1 763104759 FZBUCPDEASNXKK-SECBINFHSA-N 260.259 3.528 30 20 CHED CCCCCCCNC(=O)c1c(C)noc1C(C)C 862359119 DTWYIYVNRBOGHQ-UHFFFAOYSA-N 266.385 3.807 30 20 CHED C#CCCNc1ccc(Oc2ccccc2)cc1OC 760305708 YUJXYLASFORHFY-UHFFFAOYSA-N 267.328 3.923 30 20 CHED Cc1cc(C(=O)OCCCCC(C)(C)C#N)oc1C 768779895 RZPZJADIWTUWTR-UHFFFAOYSA-N 263.337 3.773 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1cc(F)ccc1F 860197522 JHZRDBCVUVZRMP-SNVBAGLBSA-N 281.302 3.899 30 20 CHED CC(C)(C#N)CCCCOC(=O)CC1CCSCC1 768774217 YOYSJRUWGKEXAR-UHFFFAOYSA-N 283.437 3.783 30 20 CHED C[C@H]1CCC[C@H](C=NNc2cccc(C(=O)O)c2)C1 768358449 VQBNKJMCASBKRO-RYUDHWBXSA-N 260.337 3.609 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc(CC(C)(C)C)cs1 767122583 REXPPRDBDXESMJ-UHFFFAOYSA-N 278.421 3.720 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)c1ccoc1Cl 768939256 AEYOJLGWMDQBMI-UHFFFAOYSA-N 295.121 3.795 30 20 CHED C#CCN(C[C@@H](C)CCC#N)[C@H]1CCc2ccccc21 876513652 OQTGHFJIRWQVGY-YJBOKZPZSA-N 266.388 3.549 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccccc1N1CCCC1 878367737 CDIADRGZQQCRMR-UHFFFAOYSA-N 286.419 3.505 30 20 CHED C#CCCCCCCN[C@H](C)C[C@H](O)c1cccs1 877131429 ZZMKAWUJDREOPW-CABCVRRESA-N 279.449 3.733 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc3[nH]ncc3c2)o1 779820003 AELJKOGMOQMLGF-QMTHXVAHSA-N 280.331 3.725 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 879199461 CVQNPGJCYCJRTE-CQSZACIVSA-N 279.424 3.587 30 20 CHED CC/C=C/CCSCCC(=O)Nc1cccc(C#N)c1 1116635446 AQSQAAILLOXVMM-ONEGZZNKSA-N 288.416 3.976 30 20 CHED O=C(Cc1cccs1)OCC#Cc1cccc(Cl)c1 773104938 LNEYMSZOXSINPF-UHFFFAOYSA-N 290.771 3.539 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc3c(c2)COC3)c1 778219490 GGDBHTSSWLHWSP-UHFFFAOYSA-N 277.367 3.725 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(N(C)C)c1C 879390553 ZPFDJFWHZHTWBF-UHFFFAOYSA-N 260.381 3.602 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)c1ccc(C)o1 778986047 ZLYLEWHVQLKIBZ-CQSZACIVSA-N 287.359 3.542 30 20 CHED C(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1cc2ccccc2o1 774593255 LSYSYAHKWSQUKA-SLEUVZQESA-N 254.333 3.545 30 20 CHED CCCc1sc(C(=O)OCC2(C#N)CC2)cc1CC 775826182 FMARXEQTXVNDTN-UHFFFAOYSA-N 277.389 3.724 30 20 CHED N#Cc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(F)c1 772801953 JDXVGMJUAXWNRS-AWNIVKPZSA-N 298.704 3.843 30 20 CHED CC(C)c1nc(C=NOC2CCCC2)c2ccccn12 774597252 SCJORFYRGBFBIC-UHFFFAOYSA-N 271.364 3.751 30 20 CHED C[C@H](OC(=O)[C@@H](CC#N)c1ccccc1)c1ccccc1 1129482794 WHOJLYKOUATYBV-YOEHRIQHSA-N 279.339 3.988 30 20 CHED C[C@H](OC(=O)c1c[nH]c2ccccc12)c1cccc(C#N)c1 782619325 ISPYFVIHXSGJKA-LBPRGKRZSA-N 290.322 3.958 30 20 CHED C=C(C)CCC(=O)Nc1onc(C(F)(F)F)c1CC 1121214394 TUWOWRWTKUNXIL-UHFFFAOYSA-N 276.258 3.551 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)O)cc1 783535555 FWZOYLGAXKTHJJ-MJBXVCDLSA-N 297.826 3.628 30 20 CHED COc1cc(F)ccc1NN=Cc1cc2ccccc2[nH]1 788442956 RXSPNLHCROGKQC-UHFFFAOYSA-N 283.306 3.762 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)nc1 787029971 ZKXHKMDKDGLVNO-BZNIZROVSA-N 297.789 3.945 30 20 CHED Cc1ccc(C=NOCc2cc(F)ccc2C)cc1 783553660 UPLJHVTWBBFPON-UHFFFAOYSA-N 257.308 3.993 30 20 CHED C=C1CC(c2noc(-c3ccc(CN4CCCC4)cc3)n2)C1 896876122 CMNBZNZRGRLHOR-UHFFFAOYSA-N 295.386 3.766 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)[C@@H](C)c1ccccc1 780252124 GLMBGXDLOSDIBP-CJNGLKHVSA-N 274.408 3.713 30 20 CHED C[C@@H]1C[C@H](CCNc2nc3ccccc3cc2C#N)CCO1 784206706 RBCJVWCZNJIIJE-ZIAGYGMSSA-N 295.386 3.724 30 20 CHED C[C@@H](C(=O)OCc1ccc(Cl)cc1C#N)c1ccco1 780039969 QMPMKUSXDWLFEJ-SNVBAGLBSA-N 289.718 3.652 30 20 CHED Cc1c(Cl)cnc(NCCSC(C)(C)C)c1C#N 784160747 UPSLEFHSXLOIQX-UHFFFAOYSA-N 283.828 3.859 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1ccc(Cl)c(F)c1 783292991 FJZIEOPOUQHTIN-JTQLQIEISA-N 289.741 3.597 30 20 CHED CC(C)(C#N)COC(=O)c1cc(-c2ccccc2)ns1 781476276 CIGOQAMCTYKEKI-UHFFFAOYSA-N 286.356 3.517 30 20 CHED CO[C@H](C(C)=NOCCC(F)(F)F)c1ccccc1 782283397 PKCIDPHFVUUWBP-GFCCVEGCSA-N 275.270 3.719 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1coc(C(C)C)n1 899370640 JAXAVKHPJDMKDA-VOTSOKGWSA-N 274.320 3.553 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)OCc2ccc(CC#N)cc2)C1 780031203 GNCHUMAUASZVHB-HALDLXJZSA-N 285.387 3.868 30 20 CHED C=CCCCCCOC(=O)c1ccc(Cl)cn1 783726724 TUCRZJSNAZGKMH-UHFFFAOYSA-N 253.729 3.638 30 20 CHED C=C1CCC(c2nc([C@@H]3CCCS3)no2)CC1 896115983 JAJLUWKRRUIPTC-NSHDSACASA-N 250.367 3.852 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 784748180 RDZGSORIAQEMKL-KDOFPFPSSA-N 284.403 3.966 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 782445366 MRGNQOYOPXKCOC-HOCLYGCPSA-N 288.460 3.623 30 20 CHED C=CC(C)(C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 892702585 FIEKFYHRXFBEIJ-LBPRGKRZSA-N 281.359 3.650 30 20 CHED C=C1CC(c2noc(CCCc3ccc(OC)cc3)n2)C1 896884100 JJHZDMSEDTWADC-UHFFFAOYSA-N 284.359 3.687 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)c1cscn1 797404282 CFHJOTFGTLTLMJ-UHFFFAOYSA-N 295.799 3.546 30 20 CHED CC(=NOCCC(F)(F)F)c1ccnn1-c1ccccc1 799113278 LTJOQOWDYSGAPK-UHFFFAOYSA-N 297.280 3.565 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 791059245 OMOZGLJMAVQOGF-NXHRZFHOSA-N 298.430 3.624 30 20 CHED C=C(Br)CNC(=O)c1ccccc1CC(C)C 790515207 ZOPWTRJDUIVRCS-UHFFFAOYSA-N 296.208 3.524 30 20 CHED N#Cc1ccc(C(=O)OCc2ccccc2C(F)(F)F)o1 796141378 KGXFFNNZECZGDI-UHFFFAOYSA-N 295.216 3.527 30 20 CHED CCCc1ccc(NC(=O)c2cc(C#N)oc2C)cc1 797797512 XBUICBGYMJNSFR-UHFFFAOYSA-N 268.316 3.665 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 792316972 DOZKTHSPOZEWOY-GXTWGEPZSA-N 296.773 3.514 30 20 CHED Cc1ccc(C(=O)Nc2cc(Cl)ccc2F)cc1C#N 799296526 GILAFMIKZRVEFC-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](c1ccccc1C)C1CC1 791065564 UWXIRVRJMKYWAP-NVXWUHKLSA-N 284.403 3.547 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1 1219799025 CBDBHAXYEIUVEH-FZMZJTMJSA-N 289.354 3.788 30 20 CHED CC(C)(C)OC1CCN(c2ccc(C#N)cc2Cl)CC1 892906068 RANKKQVTBITQAT-UHFFFAOYSA-N 292.810 3.996 30 20 CHED CCc1nnc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(C#N)c1CC 1306965593 LZLLAXUYKFIYAQ-MGPQQGTHSA-N 298.434 3.854 30 20 CHED N#Cc1cc2c(nc1SCCC(F)(F)F)CCCC2 73999131 VQDUGMMQOQCDGK-UHFFFAOYSA-N 286.322 3.877 30 20 CHED C[C@@H](CCNC(=O)NCC(C)(C)CC#N)CC(C)(C)C 1312504953 BYMGNMGDYDIQJP-ZDUSSCGKSA-N 281.444 3.688 30 20 CHED CC(C)(C#N)CCSc1nc2cnccc2s1 702999203 ZJQZDPVCJKSJKG-UHFFFAOYSA-N 263.391 3.723 30 20 CHED Cc1coc(C(=O)N[C@H](CCC#N)c2ccccc2)c1C 1321904676 KQNNKDWCYUIAAL-OAHLLOKOSA-N 282.343 3.671 30 20 CHED N#CCCC1CCN(Cc2csc(C3CC3)n2)CC1 575043237 PTPLULWWONBMNW-UHFFFAOYSA-N 275.421 3.536 30 20 CHED N#C[C@]1(F)CCN(Cc2ccc(-c3ccccc3)s2)C1 1320936735 DAJMMEIWHPUPQY-MRXNPFEDSA-N 286.375 3.853 30 20 CHED C[C@]1(CNc2cccc(CC#N)n2)CCCc2ccccc21 1320655595 AGDWQLIPOHDDDD-LJQANCHMSA-N 291.398 3.854 30 20 CHED N#Cc1ncccc1N1CCCC2(CCCCC2)CC1 565395351 SMTFEVHDSDPTAS-UHFFFAOYSA-N 269.392 3.894 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 1328078024 RRJOKTRCFXUPEG-OCCSQVGLSA-N 275.392 3.664 30 20 CHED COC[C@@H](Nc1nc(C)cc(C)c1C#N)c1ccc(F)cc1 1338155229 LUONFCBBEFMJMK-MRXNPFEDSA-N 299.349 3.509 30 20 CHED N#Cc1ccccc1N(C(=O)CCC(F)(F)F)C1CCC1 1331448385 XEGWEHYTPNDCLJ-UHFFFAOYSA-N 296.292 3.786 30 20 CHED C=CC[C@@H](NCC1CCC(c2ccccc2)CC1)C(=O)O 1333123973 FJIFZSXVDYNMQV-BDVYOWHSSA-N 287.403 3.579 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNC(=S)NC(C)C 1337446977 SFTWMCZBFRKXRU-UHFFFAOYSA-N 291.464 3.603 30 20 CHED CC(C)n1cc([C@@H](C)NCCCCC2(C#N)CCC2)cn1 1333330435 SZMQSJPZONYYMO-OAHLLOKOSA-N 288.439 3.979 30 20 CHED C#CCCCOc1cccnc1N[C@@H](C)c1ncccc1C 1337325382 OONIRQBIUPZOAU-HNNXBMFYSA-N 295.386 3.750 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2cc(C)c(C)cc2o1 1339068002 SMPCGMSEEAJSPR-CQSZACIVSA-N 284.359 3.814 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc2cccc(OC)c2o1 1330334816 ORHYZIVUAIHGHF-UHFFFAOYSA-N 287.359 3.660 30 20 CHED CCSc1ccc(CNc2cc(C#N)nc(CC)n2)cc1 1187455145 YAXGWEICUHCOBQ-UHFFFAOYSA-N 298.415 3.635 30 20 CHED CCCCCC1=CCCC1=NNc1nncc(N)c1Cl 1253080488 UTJWWWQCMSZXHV-UHFFFAOYSA-N 293.802 3.781 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNCC2CCOCC2)cc1 1252098325 XDGVUASRQIUGEE-KRWDZBQOSA-N 286.419 3.635 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1nc2ccccc2n1CC 1335765644 MVMYJVVQUSWPAQ-ZDUSSCGKSA-N 285.391 3.590 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1262654257 BTEKBGLXOJPKFY-MSOLQXFVSA-N 296.414 3.716 30 20 CHED C=C1CC(C)(C(=O)NCc2ccc3ncn(C(C)C)c3c2)C1 1347560824 ABBREKAGCUVOQH-UHFFFAOYSA-N 297.402 3.590 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1nccn1C 1342268553 NSPRYHCQKRDZHW-LSDHHAIUSA-N 287.407 3.593 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc(Cl)s1 1266647663 WKKSODGPXXELET-QPUJVOFHSA-N 271.769 3.946 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2c(F)cccc2s1 1340893566 PVQJONSHWVGEGB-JTQLQIEISA-N 290.363 3.805 30 20 CHED C[C@H](NC(=O)Cc1ccccc1CC#N)C1CCCCCC1 1268832741 QIPCONJYSOQHNR-HNNXBMFYSA-N 298.430 3.770 30 20 CHED Cc1cccc2c(C(=O)Nc3cccc(C#N)c3)coc12 1349165476 MTPXFWNBJODIJL-UHFFFAOYSA-N 276.295 3.865 30 20 CHED N#Cc1ccccc1N(C(=O)CC1CCC1)C1CCC1 1353518294 PPZXSBPZPIZTPI-UHFFFAOYSA-N 268.360 3.634 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1csc(C#N)c1 1457122097 GCQUSKKZOWOKLR-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1ccc(C(=O)NCC2(C)CCCCC2)cc1C#N 1527336596 DFBKIZAKRXMNRK-UHFFFAOYSA-N 270.376 3.567 30 20 CHED CCCC[C@H](SCc1ccc(C#N)c(C)c1)C(=O)O 1609965964 BUFMNRKJINNKTO-AWEZNQCLSA-N 277.389 3.743 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cc(C(=O)O)co2)cc1C 1600147127 MVZNSZAIAQJTEK-SNAWJCMRSA-N 284.311 3.799 30 20 CHED C=CCCCCCCCNC(=O)C1(C(=O)O)CCCCC1 1602719087 OTOVMSNIVZFVEV-UHFFFAOYSA-N 295.423 3.664 30 20 CHED CC(C)CCOC(=O)N(Cc1ccc(C#N)cc1)C1CC1 1475131362 AFGPEJINTBNRNC-UHFFFAOYSA-N 286.375 3.705 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cc1 1544677232 PVALUMNFKHXALN-GOEBONIOSA-N 270.376 3.504 30 20 CHED Cc1nc(C#N)cc(N2CC[C@@H](CC(C)(C)C)C2(C)C)n1 1559235899 NQXFQDSZEWLEFH-ZDUSSCGKSA-N 286.423 3.698 30 20 CHED N#Cc1ncccc1SCc1csc(-c2ccoc2)n1 1559412532 RBGBLXVMGDORNA-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C1CCC1 1639742337 SUYODKAYQIGJPD-GFCCVEGCSA-N 294.358 3.741 30 20 CHED CC1(C)CN(c2ccc(Cl)c(C#N)n2)CC(C)(C)C1 1639745461 LNPCBAMTADQMLX-UHFFFAOYSA-N 277.799 3.869 30 20 CHED CCC[C@]1(C)CCCN(Cc2ccc(C#N)c(OC)c2)C1 1560687822 QEYUQEPGYWKRPJ-GOSISDBHSA-N 286.419 3.969 30 20 CHED CCNc1ccccc1CN(CCC#N)CC(C)(C)C 1651833717 FESHDYUBUYFHNG-UHFFFAOYSA-N 273.424 3.880 30 20 CHED CC(C)(C)[C@H](Sc1ccc(C#N)cc1Cl)C(=O)O 1589723411 XHNGRVPFEYYGEU-LLVKDONJSA-N 283.780 3.803 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N1CCc2ccc(C#N)cc21 1584149268 MMXLLGYAZZBGDF-INIZCTEOSA-N 284.403 3.910 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(F)cc1C#N 1669604914 PKOWVUVASRSSMT-BDJLRTHQSA-N 289.354 3.788 30 20 CHED CC[C@@H](C)[C@H](Sc1cccc(C#N)c1Cl)C(=O)O 1594929486 SPIOSWBDWBWSTL-PELKAZGASA-N 283.780 3.803 30 20 CHED CCCCCCCN[C@H](C)c1cc(C(=O)O)co1 1595704821 ZDOKJNGNLLOXFI-LLVKDONJSA-N 253.342 3.599 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)Nc1sccc1C#N 1678968704 LMZHCCDGYZBXDO-NSHDSACASA-N 277.393 3.568 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1sccc1C#N 1673279508 WPZPUHODOJGIAV-CQSZACIVSA-N 297.383 3.737 30 20 CHED Cc1cc(C=NNc2cccc(C(=O)O)c2C)ccc1F 1776086924 XBMVTMRNAGLZNF-UHFFFAOYSA-N 286.306 3.587 30 20 CHED C=CCNc1nc(-c2ccccc2)c2ccccc2n1 18055030 OIWNBDIQEICUJB-UHFFFAOYSA-N 261.328 3.895 30 20 CHED C=CCN(C)C(=O)C1(c2cccs2)CCCCC1 161544867 PGTSGMMUDKWDNA-UHFFFAOYSA-N 263.406 3.594 30 20 CHED CC(C)[C@@H]1CCCC[C@H]1NCc1cccc(OCC#N)c1 160339241 BRDDUFZTUILMTQ-ZWKOTPCHSA-N 286.419 3.893 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc3occc3[nH]2)c1 152059938 CQDZCXGCJKZDLZ-UHFFFAOYSA-N 296.326 3.968 30 20 CHED CCCCCCCCC(=O)Nc1cc(Cl)c(=O)n(C)c1 156210361 QBIHBEPAIHGMSL-UHFFFAOYSA-N 298.814 3.728 30 20 CHED C#CCCCCNC(=O)CSc1ccc2ccccc2c1 156316933 CYEWLNHMQQUYMC-UHFFFAOYSA-N 297.423 3.852 30 20 CHED C[C@@H]1CSC(SCCCOc2ccc(C#N)cc2)=N1 155425203 UBLHGHUTNLVAHJ-LLVKDONJSA-N 292.429 3.552 30 20 CHED CC[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 154267469 AANKOXUPYGGCRL-SECBINFHSA-N 264.394 3.902 30 20 CHED COc1cc(CNCc2ccc(Cl)cc2)ccc1C#N 234926999 IZYRUDCOJJTPKL-UHFFFAOYSA-N 286.762 3.510 30 20 CHED N#Cc1ncccc1NCc1ccc(C(F)(F)F)cc1 129994471 AHIFRNKNCKUBLL-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)C1CCCCC1 130389033 IPNXFXYMNMACGP-UHFFFAOYSA-N 272.392 3.721 30 20 CHED C#CCCCCNCc1ccc(N2CCCCC2)cc1 150732456 KYGMCOBFPGVSGN-UHFFFAOYSA-N 270.420 3.570 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccsc1 157239667 KECHHGCPPUGMSO-UHFFFAOYSA-N 272.373 3.968 30 20 CHED N#Cc1cc(F)ccc1COc1ccc(Cl)cc1 260852868 UVCNGXXZKVZPNM-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#C[C@@H](NC(=O)CCCc1cccs1)C1CCCCC1 40360323 LDTDXUOYILHFPU-OAHLLOKOSA-N 290.432 3.659 30 20 CHED CC(C)(C#N)CNCc1cc(Cl)ccc1OC(F)F 168929353 GPHOZGAETISNRE-UHFFFAOYSA-N 288.725 3.581 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(C#N)c1 45796764 WDPRBKATJXLRSS-UHFFFAOYSA-N 262.356 3.746 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1nc2ccccc2n1C 182184582 ANCSWMWXSAECAU-UONOGXRCSA-N 271.408 3.969 30 20 CHED COCc1ccc(Nc2cccc(F)c2C#N)cc1 302832580 ROCDNNYECZOUMV-UHFFFAOYSA-N 256.280 3.587 30 20 CHED C=CCCCCCCNC[C@@H](O)c1ccccc1F 312110695 MHAUSYYIEZGGQZ-MRXNPFEDSA-N 265.372 3.585 30 20 CHED N#Cc1ccc(CN2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c(Cl)c1 313361347 OKCCBZPYLIPWOC-WMHQRMGPSA-N 286.806 3.690 30 20 CHED CCCCSCC(=O)Nc1ccc(Cl)cc1C#N 701226495 SVCGVDSHQUFHLC-UHFFFAOYSA-N 282.796 3.683 30 20 CHED C=CCOc1ccc(CNC2CCC2)cc1Cl 337335477 CFLPURLQDDJMHD-UHFFFAOYSA-N 251.757 3.547 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(CC#N)cc1 342459447 UINZKARJIXTNSQ-UHFFFAOYSA-N 261.328 3.545 30 20 CHED C=CCCSCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 595057124 AKGULIVEFDDTQV-LBPRGKRZSA-N 280.393 3.555 30 20 CHED FC(F)(F)c1ccc(C=NOCc2ccccc2)[nH]1 807961844 HYNNIYZSLDWYIU-UHFFFAOYSA-N 268.238 3.584 30 20 CHED C=CC[C@@H](CC)N[C@H](C)CCc1ccc2c(c1)OCO2 393794714 OIMFDMZKQPOQIT-UKRRQHHQSA-N 275.392 3.681 30 20 CHED COCCOc1ccc(C(=O)/C=C/c2ccsc2)cc1 59270531 INJKOVGDAVYSJQ-FARCUNLSSA-N 288.368 3.669 30 20 CHED CSc1ccsc1C(=O)Nc1ccccc1C#N 107086112 HYRAQBBIGGGUHJ-UHFFFAOYSA-N 274.370 3.594 30 20 CHED C=CCN(CC=C)C(=O)c1csc(-c2ccccc2)n1 52930628 MMHVJHXJXWYDKJ-UHFFFAOYSA-N 284.384 3.624 30 20 CHED N#Cc1cc(F)ccc1COc1cccc(C(F)(F)F)n1 179938100 UQJWAYHEPXSFFI-UHFFFAOYSA-N 296.223 3.690 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccccc1 58453736 QQPXGILRQAAAIJ-CYBMUJFWSA-N 279.343 3.749 30 20 CHED C=CCOc1cccc(NC(=O)N2Cc3ccccc3C2)c1 106323454 WEHMUUCOUBAKKT-UHFFFAOYSA-N 294.354 3.799 30 20 CHED O=C(/C=C/C1=Cc2ccccc2OC1)c1ccc(O)c(F)c1 170851714 FMQYVDAKWZNOAF-FNORWQNLSA-N 296.297 3.746 30 20 CHED CCCCCCCC(=O)N(C)c1nc(C)cs1 105384452 RVQHWNJSXQYSCA-UHFFFAOYSA-N 254.399 3.775 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Cl)cc2)C1 116814613 IXULIWUVTJSOMB-IAQYHMDHSA-N 276.767 3.542 30 20 CHED C#CCCCCC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 179676711 DZCFHMPQUSJXAG-GOSISDBHSA-N 287.403 3.702 30 20 CHED N#CCCCCNC(=O)N[C@H](c1ccccc1)C1CCC1 171595549 ORUCUNKEDGAGSC-MRXNPFEDSA-N 285.391 3.521 30 20 CHED N#C[C@@H](Sc1nncn1-c1ccccc1)C1CCCCC1 115185030 XOBYTOIAJPSGPO-OAHLLOKOSA-N 298.415 3.832 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc(Cl)cc1F 52027944 JIDICTLMBCFEJC-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=CCCC(=O)O[C@@H](C)c1nc2ccc(Cl)cc2n1C 176027911 NMPLQLFKCKLAEH-JTQLQIEISA-N 292.766 3.797 30 20 CHED C[C@@H](CC#N)N(C)Cc1cnc(-c2ccccc2)s1 177371302 OPRULFYZVRMUMI-LBPRGKRZSA-N 271.389 3.544 30 20 CHED C=CCCC(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 118962687 DJQDNDBTBOMOLH-GFCCVEGCSA-N 278.421 3.508 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](C)C2CC2)c1 178471413 ZUIIPPZWYXJFDA-GFCCVEGCSA-N 259.349 3.626 30 20 CHED O=C1/C(=C/c2cccc(F)c2)CCc2cc(O)ccc21 60340099 SMQOETKWIUXISR-MDWZMJQESA-N 268.287 3.744 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C[C@H]2CCc3ccccc32)n1 115901043 HLXTXRWCPCIPQX-HIFRSBDPSA-N 296.395 3.748 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccccn1 66801814 SPCHPUCRJRFTMM-LBPRGKRZSA-N 297.383 3.728 30 20 CHED CC[C@@H](C)N(C(=O)c1c(F)cc(C#N)cc1F)[C@H](C)CC 119732571 CDDOCLNOJFTTLY-GHMZBOCLSA-N 294.345 3.876 30 20 CHED C=CCOc1ccc(Oc2c(F)c(F)nc(F)c2F)cc1 301609681 PWMNILDYMTYAQN-UHFFFAOYSA-N 299.223 3.995 30 20 CHED C[C@@H]1CN(c2snc(Cl)c2C#N)[C@@H]2CCCC[C@H]12 302134592 CWZLZFQBDPCSIM-FXPVBKGRSA-N 281.812 3.683 30 20 CHED Cc1c(Cl)c(CN(C)C[C@H](C)C#N)nc2ccccc12 143078255 YOQMKFGUWJJKGO-LLVKDONJSA-N 287.794 3.788 30 20 CHED CC(C)c1nc(CCNCc2ccc(C#N)s2)cs1 176960669 FGQNAQWAPRADAO-UHFFFAOYSA-N 291.445 3.532 30 20 CHED C[C@H](OC(=O)c1ccc(Cl)cn1)c1ccc(C#N)cc1 175795333 UOPMORLTVMUICK-JTQLQIEISA-N 286.718 3.525 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2cc(C)oc2C)c1 120505327 VGDMKXYNUHFIDN-QGZVFWFLSA-N 298.386 3.867 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C)n1C 69788321 LBIJMHYNNPQQHT-UHFFFAOYSA-N 274.408 3.542 30 20 CHED CC(C)COc1cncc(N[C@H](C)c2ccc(C#N)cc2)n1 301552562 HPOQOTIQWLIHGU-CYBMUJFWSA-N 296.374 3.556 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1ccc(C#N)c(F)c1 404846440 OSQGDDFPOUMMDV-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED N#Cc1ccc(NCCCSc2ccc(F)cc2)nc1 73868629 WILYWRXOYMDTNJ-UHFFFAOYSA-N 287.363 3.687 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(F)cc2C#N)cc1 182343419 KLZZFCNNRRZLRV-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED O=C1/C(=C/c2cncs2)CCOc2cc3c(cc21)CCC3 129153852 QPOCQQDTZOGUAD-AWNIVKPZSA-N 297.379 3.681 30 20 CHED CN(c1ncc(C#N)cc1Cl)[C@@H]1CCc2ccccc21 358873622 KKGPZRZDDIAYHQ-OAHLLOKOSA-N 283.762 3.730 30 20 CHED C=C(C)CN(C)C(=O)C(c1ccccc1)c1ccccc1 180403420 IWKKSDZTXOBJHV-UHFFFAOYSA-N 279.383 3.853 30 20 CHED CCN(Cc1cn2ccccc2c1C#N)C1CCCCC1 506110491 UHYJRLNUSKWNPJ-UHFFFAOYSA-N 281.403 3.966 30 20 CHED C[C@H](NCCCC#N)c1csc(-c2ccccc2)n1 414115329 UXCYTGHVMNPVOX-LBPRGKRZSA-N 271.389 3.764 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1CCCC1(C#N)CCOCC1 410413482 LECGYZVPVSPTKH-IRXDYDNUSA-N 292.467 3.988 30 20 CHED C=C(C)[C@H](NCc1ccco1)c1ccc(F)c(F)c1 187369810 RVEGMHSNVFWREQ-HNNXBMFYSA-N 263.287 3.965 30 20 CHED CCOc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 35054088 FQSNBXDDTOOWTK-CQSZACIVSA-N 280.371 3.808 30 20 CHED CCc1nnc(-c2cccc(N[C@H]3CCC[C@H](C#N)C3)c2)o1 185749317 XEVGBUOJGKAZKQ-JSGCOSHPSA-N 296.374 3.793 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)oc1C 74483384 FSVQJDKJXFJLOL-UHFFFAOYSA-N 296.370 3.821 30 20 CHED CO[C@H](CSCCC#N)c1ccc(Cl)cc1 413017520 YVXIXYKZPNNFRZ-GFCCVEGCSA-N 255.770 3.674 30 20 CHED C=C(C)CN(C)C(=O)[C@H](c1ccccc1)[C@H](C)CC 180396195 XBWDQPXQXOLHCQ-ZBFHGGJFSA-N 259.393 3.851 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H](CCC#N)c1ccccc1 186668876 DHMBGNGAIVTJHG-OIISXLGYSA-N 284.403 3.974 30 20 CHED C[C@H]1CCC[C@H](Cn2cc(C#N)c(=O)c3ccccc32)C1 185529269 RMGSBEAWUANVPN-KBPBESRZSA-N 280.371 3.699 30 20 CHED C=CCC1(CNC(=O)Nc2cc(N)ccc2F)CCCC1 415927790 WWLWPRYGNKXQKY-UHFFFAOYSA-N 291.370 3.666 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2c(C#N)nnc3ccccc23)C1 77225475 CVAFAHYGTNUSNC-VXGBXAGGSA-N 298.415 3.588 30 20 CHED CC(C)c1cccc2c1CCN([C@H](C)CCC#N)C2 411624569 UMMIECWOZAKOAA-CQSZACIVSA-N 256.393 3.860 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](c1ccccc1)C(C)C 509103199 LXVKPIAGFFTZOO-SFHVURJKSA-N 292.382 3.994 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CC)c1 48476342 SRBPSOFGSXESBA-GDBMZVCRSA-N 270.376 3.758 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2nc3ccccc3s2)CCC1=O 328910182 NGQVSKCLGUVBCP-UWVGGRQHSA-N 288.372 3.890 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc(-c3cc[nH]n3)c2)CCC1=O 328905355 ASJNVYLTOHDORI-WCQYABFASA-N 297.358 3.670 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NCc1ccc(C#N)s1 421606186 ZJJLHELZXXNTMH-NSHDSACASA-N 278.421 3.698 30 20 CHED N#CCCN(CCSc1ccc(F)cc1)CC1CC1 177030306 OKLSWUHJLSCEEM-UHFFFAOYSA-N 278.396 3.543 30 20 CHED Cc1cc(/C(O)=N/[C@@H]2CCCC[C@H]2c2ccccc2)cnn1 329806237 NREPHKSIFLGZNT-DLBZAZTESA-N 295.386 3.816 30 20 CHED C=C(C)COc1cccc(NC[C@H]2CCC=CO2)c1 194148673 QAFZQBGRAFVENK-MRXNPFEDSA-N 259.349 3.746 30 20 CHED CCN(CC(C)(C)C)C(=O)[C@@H](C#N)CCc1ccccc1 428666715 SDSSDHDEEFDEPC-MRXNPFEDSA-N 286.419 3.654 30 20 CHED N#Cc1cccc(NC(=O)CCc2cccc(Cl)c2)c1 48391073 DPJLKCLYTLDAHW-UHFFFAOYSA-N 284.746 3.783 30 20 CHED N#Cc1ccc(CNCc2cnc(C3CCC3)s2)s1 421355662 UWRNKSTZQDGGPM-UHFFFAOYSA-N 289.429 3.634 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)C1CCCCC1 511437251 JEBCXPMPCKACRL-CHWSQXEVSA-N 252.402 3.561 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H]1C(C)C)c1ccccc1 428016402 IKELMBAQFWTCQQ-HOTGVXAUSA-N 257.377 3.603 30 20 CHED CCC1(CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 133678935 BHPSQJIOVRDXCH-OAHLLOKOSA-N 285.391 3.521 30 20 CHED Cc1ccc2c(CC(=O)O[C@H](C)C(C)(C)C#N)coc2c1 130486181 VPIVEUIUDRZGAW-GFCCVEGCSA-N 285.343 3.765 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccccc1Oc1ccccc1 194743027 GGDRAZXDEFDQGB-ZDUSSCGKSA-N 280.327 3.511 30 20 CHED Cc1ccsc1CCCC(=O)N(C)c1ccccc1C#N 337836772 DLGQLQQWUVFIKY-UHFFFAOYSA-N 298.411 3.914 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 424846137 XEGOCUBGEROFMS-ZWNOBZJWSA-N 279.330 3.539 30 20 CHED C=CCCN[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 338565566 YRCHRNSJVJFNLN-AWEZNQCLSA-N 295.386 3.561 30 20 CHED C[C@@H]1Oc2cc(F)ccc2[C@H]1NC1CCC(C)(C#N)CC1 336219281 KNNGZLKGZMFKHI-LCJQRQNWSA-N 288.366 3.710 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(Br)nc1 290628607 IXGMFOONNNXDJE-JQWIXIFHSA-N 283.213 3.849 30 20 CHED C=C[C@@H](CC(=O)N1CCSCC[C@@H]1C)c1ccccc1 190082884 FISHCQXVJNSNPD-GJZGRUSLSA-N 289.444 3.700 30 20 CHED CCOC[C@H](Nc1ccc(C#N)c(Cl)c1)C(C)C 233797367 CVKONVGQZWMMMS-AWEZNQCLSA-N 266.772 3.685 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1 335953482 SEWJUUZMJGBBCQ-DJJJIMSYSA-N 292.382 3.992 30 20 CHED N#Cc1ccc(CO[C@@H]2CCCc3c[nH]nc32)c(Cl)c1 334548929 QHIHZLAAQVEKGF-CQSZACIVSA-N 287.750 3.529 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(CC)c(C)s1 424603308 XCNRCAQWGZOSAV-UHFFFAOYSA-N 252.383 3.555 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@H]1c1ccccc1)C1CC1 511507307 OVPNNKMURYLLDX-DLBZAZTESA-N 284.403 3.683 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC3(CCCC3)C2)cc1 335759925 UEJQIZCDNXJFSH-UHFFFAOYSA-N 282.387 3.504 30 20 CHED CCCc1[nH]ccc1C(=O)N[C@@H](CCC#N)c1ccccc1 421793742 XXLQHIPNJSXNHR-INIZCTEOSA-N 295.386 3.742 30 20 CHED CC(C)c1occc1C(O)=Nc1cnn(C(C)(C)C)c1 331074312 GKJHJLUUSSPNLL-UHFFFAOYSA-N 275.352 3.991 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H](C)c1ccccc1 426025499 ZOPVGNFFPRHUPW-ZMSDIMECSA-N 286.419 3.929 30 20 CHED C=CCOCC(=O)N[C@H](c1cccs1)C(CC)CC 519108635 RYWRSOAYFVJEEM-HNNXBMFYSA-N 281.421 3.544 30 20 CHED N#Cc1c(F)cccc1OCc1cc(F)cc(F)c1 97921814 QBWTWNMAPLADMB-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cc(C#N)cs1 93689773 PQLIFJWARZENRP-DYVFJYSZSA-N 282.412 3.998 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccnn1[C@H](C)CC(C)C 439387340 NQFJCJRRIJJACW-KGLIPLIRSA-N 292.427 3.966 30 20 CHED CC1(C)C[C@H]1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 338060735 LLCDBFHEFKRJKH-KWQFWETISA-N 297.185 3.720 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)c(C#N)c1 337895118 KYVDDQFTNJMXSR-UHFFFAOYSA-N 295.729 3.644 30 20 CHED N#CCCN(Cc1ccc(OC(F)F)c(F)c1)CC1CC1 93091267 MNSYAJPHKVJFJK-UHFFFAOYSA-N 298.308 3.553 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](c2cccnc2)C1 335418764 VXZWSPALIIVYSY-RDTXWAMCSA-N 277.371 3.504 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C)cc1O 436543509 LUESFROMOSMNDS-UHFFFAOYSA-N 287.403 3.909 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cc(F)ccc1-n1cccn1 342262086 MSACNBZZDQJWGC-GFCCVEGCSA-N 287.338 3.552 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1-c1csc(C)n1 433783904 TVBJPDSJUPLEPE-JTQLQIEISA-N 287.388 3.815 30 20 CHED Cc1nc(C(F)(F)F)ccc1OCc1ccccc1C#N 349730704 KWWOLZCZVVQRLS-UHFFFAOYSA-N 292.260 3.860 30 20 CHED C[C@@H](SCCOC[C@@H]1CCCO1)c1cccc(C#N)c1 526948386 CPRUWEFLMYMOEJ-CJNGLKHVSA-N 291.416 3.548 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1cccc(C)c1 432569566 YYLFSBKHYRLBGX-UHFFFAOYSA-N 274.408 3.739 30 20 CHED C=CCN(Cc1cccc(C)n1)Cc1cccs1 347355602 COVCJXOFBHNPHU-UHFFFAOYSA-N 258.390 3.640 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1F)c1nc(C)cs1 347637316 NTDSRFAQFVPIAC-CYBMUJFWSA-N 289.379 3.703 30 20 CHED N#CCc1ccccc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 600977689 LKPMNWQZCDVXCL-HYVNUMGLSA-N 296.414 3.841 30 20 CHED C=CCN(Cc1cccc(C#N)c1)[C@@H](C)c1ccncc1 609848144 BYDMLTQMGBCJHC-HNNXBMFYSA-N 277.371 3.702 30 20 CHED C[C@H](CCC#N)CNCCCc1c[nH]c2ccc(F)cc12 602653361 QHFZOOMLZHBYPM-CYBMUJFWSA-N 287.382 3.769 30 20 CHED Cc1nsc(NC[C@@H](C)Sc2ccccc2)c1C#N 342265832 AWJCVFKKZURULI-SNVBAGLBSA-N 289.429 3.916 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CC1(OC)CCC1 347884450 VURGCWCVYJUUPB-UHFFFAOYSA-N 287.403 3.551 30 20 CHED CCN(C(=O)[C@H]1[C@@H](C2CC2)[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 528160683 UHSPCCRJNDZEET-JGTCGTHISA-N 296.414 3.760 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(N2CCCC2=O)cc1 343845517 WJZGKTYZMKNQLD-UHFFFAOYSA-N 298.386 3.520 30 20 CHED COc1cc(C)ccc1CNc1ncc(C#N)cc1Cl 342216572 GGCJCGDABBQRTA-UHFFFAOYSA-N 287.750 3.536 30 20 CHED Cc1ccc(-c2cncc(OC(C)C)c2)cc1C#N 600792445 FEVXQDSBUYHEIZ-UHFFFAOYSA-N 252.317 3.716 30 20 CHED CC(C)=CCSCc1nnc(-c2cccc(C#N)c2)o1 446120254 AIDJJHHLLLVYRH-UHFFFAOYSA-N 285.372 3.808 30 20 CHED C[C@H]1CCC[C@@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)C1 443522297 YKWPBNDBAIOGOX-WDEREUQCSA-N 297.324 3.987 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@H]2SCCc3ccccc32)C1 447581707 VNTPOCOIZTUNCY-FRFSOERESA-N 286.444 3.689 30 20 CHED CCCCCON=C(C)c1ccc(NC(C)=O)cc1 255867147 SGLXTAYPCPPWQQ-UHFFFAOYSA-N 262.353 3.576 30 20 CHED C[C@@H](CCC#N)CNc1ccc(Cl)c(CN(C)C)c1 602649635 WXIDGOCDSYFUAB-LBPRGKRZSA-N 279.815 3.753 30 20 CHED C=C(CC)CS[C@H](C)C(=O)NCc1ccccc1C 539094832 SDWDOMVCCAXKFM-CQSZACIVSA-N 277.433 3.699 30 20 CHED C=CCCOCC(=O)Nc1cccc(Cl)c1OC(C)C 605278779 SQEIUHXAAISXID-UHFFFAOYSA-N 297.782 3.658 30 20 CHED C=CC[C@H]1N(Cc2nc(CCC)no2)CCCC1(C)C 444773463 DNSYDPKEFUOFHN-CYBMUJFWSA-N 277.412 3.589 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CCCCN1CCCCC1 603109705 FDNFAJREIPRXBR-QGZVFWFLSA-N 299.462 3.817 30 20 CHED C=CC[C@@H]1N(Cc2cccc(C)n2)CCCC1(C)C 444791455 MYXDPHCVXPMAJR-INIZCTEOSA-N 258.409 3.957 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@]1(C)CCC[C@@H]1C 448822487 KQYGJTMBRIHIAF-BLLLJJGKSA-N 256.349 3.632 30 20 CHED C=CCOCCCSCc1noc(C2CCCCC2)n1 359141071 XOHCXFLDSDPNFK-UHFFFAOYSA-N 296.436 3.943 30 20 CHED C=CCCC1(C(=O)NCc2ccc(OCC)c(F)c2)CC1 355681651 YZQRPINXQZWXIV-UHFFFAOYSA-N 291.366 3.587 30 20 CHED Cc1ccc(-c2ccc(CN3CC[C@@](F)(C#N)C3)o2)cc1 615651267 RGBFATDWBXWCFO-QGZVFWFLSA-N 284.334 3.693 30 20 CHED CCCC[C@@H](COC)N[C@@H](CC)c1ccc(C#N)cc1 447538223 BCAJIPSTRPKBAF-IRXDYDNUSA-N 274.408 3.804 30 20 CHED C[C@@H](Cc1cccs1)NCc1ccc(C#N)c(Cl)c1 619754589 FBKDPHZSRTVIOM-NSHDSACASA-N 290.819 3.994 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CO2 538507181 LNMGCGDJYHYRLX-SJCJKPOMSA-N 296.345 3.790 30 20 CHED CC[C@H](C)n1ncc(NCc2ccc(C#N)cc2)c1C 359812076 XXBXSDXCVBYORL-LBPRGKRZSA-N 268.364 3.646 30 20 CHED C[C@@H]1CCCCN1CCCCNC1CCC(C)(C#N)CC1 449084831 ZBNQVSHZAIRYBM-WWDZGPRUSA-N 291.483 3.703 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CC1CCC1)c1ccccc1 352252696 UEXXRZMHGGNQKN-XJKSGUPXSA-N 272.392 3.792 30 20 CHED C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 610539400 NUDZXLKURURMPK-STQMWFEESA-N 295.342 3.878 30 20 CHED C[C@@]1(C#N)CCCN(C/C=C/c2ccc(Cl)cc2)C1 612406083 IBNLBOMZKHKGOW-ICTCPBKTSA-N 274.795 3.979 30 20 CHED CN(CCC#N)C(=O)Nc1cccc(-c2ccccc2)c1 353002921 HHMZVAPCYISCRN-UHFFFAOYSA-N 279.343 3.731 30 20 CHED N#Cc1cccc(NC[C@H]2CCCO[C@@H]2c2ccccc2)n1 265486313 FHKSKMDOLRGRIN-CRAIPNDOSA-N 293.370 3.533 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2nc3ccccc3o2)C1 617789144 ZQXKKVDPBAQEFG-CQSZACIVSA-N 298.386 3.575 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 455308552 ATUQMFOARRLXAN-MRXNPFEDSA-N 286.419 3.769 30 20 CHED C[C@H]1C[C@@H]1CC(=O)N(Cc1ccco1)c1ccccc1C#N 361512120 FPSDVYLGFWBQHB-DZGCQCFKSA-N 294.354 3.731 30 20 CHED C=CC[C@H](C(=O)N(C)C1CC(C)(C)C1)c1ccccc1 458188251 PBBGZBDOTVTNDI-INIZCTEOSA-N 271.404 3.993 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2nc(C)c(C)nc2c1 539438117 VXLKYGZNOSCWPS-LBPRGKRZSA-N 297.402 3.721 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 618683236 MIJJESPBWLCEPO-KGLIPLIRSA-N 297.402 3.716 30 20 CHED C=C(CC)CNC(=O)CSc1ccccc1Cl 453014839 LHVAFFBIGXLSAL-UHFFFAOYSA-N 269.797 3.515 30 20 CHED C=CCOc1cccc(CNC[C@@H]2CCCCS2)c1 543239874 OHWILWLPHXDVQO-INIZCTEOSA-N 277.433 3.627 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@H]1c1ccccc1)OCC 270024553 JUTMGVPEMJSALB-DLBZAZTESA-N 287.403 3.721 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2c[nH]c3c(C)cccc23)C1 617783349 YMXXQXIZEKTILA-HNNXBMFYSA-N 296.414 3.834 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 361859110 NMWSDQUHWKHGSX-WCBMZHEXSA-N 282.265 3.562 30 20 CHED C[C@H](NC(=O)N(C)Cc1ccsc1)c1cccc(C#N)c1 610357901 VZUPOMASGHUSTI-LBPRGKRZSA-N 299.399 3.522 30 20 CHED CC(=O)Nc1c(C)ccc(N[C@H]2CCC[C@H](C#N)C2)c1C 618574281 WBJVWIGYDTZOOL-GJZGRUSLSA-N 285.391 3.756 30 20 CHED CCCCOC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 362453088 OCOZFPCGNACIAE-OAHLLOKOSA-N 286.419 3.900 30 20 CHED CCC[C@H](C#N)NC(=O)CCCc1ccc2ccccc2c1 540494580 DYYJTXPIXAVFTN-GOSISDBHSA-N 294.398 3.971 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1 452775277 NTZAIPJMONFPER-HNNXBMFYSA-N 289.419 3.871 30 20 CHED C=CCCC1(c2nc(-c3ncsc3Cl)no2)CC1 361365289 NQLOVFWMAWVPJX-UHFFFAOYSA-N 281.768 3.844 30 20 CHED CO[C@H]1C[C@H](N(C)CCCCC(C)(C)C#N)C12CCC2 451865357 KFGLUYJAPOLZJP-GJZGRUSLSA-N 278.440 3.596 30 20 CHED C=CCC1(NC(=O)c2cc(C(C)C)n(C)n2)CCCCC1 456373306 VMGVCKKPDYVHHK-UHFFFAOYSA-N 289.423 3.552 30 20 CHED C=CCN(C(=O)c1ccc2cc(C)ccc2n1)C(C)(C)C 622945366 BBUJOVFKWYGVKV-UHFFFAOYSA-N 282.387 3.970 30 20 CHED C=CCC1(CN[C@H]2C[C@H](C)n3ccnc32)CCCC1 453387894 WESJGQPGRHXAKK-KBPBESRZSA-N 259.397 3.615 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 624111810 GGAMZQOKTWNAFE-VXGBXAGGSA-N 288.382 3.521 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1C[C@H]1C(C)C)c1ccccc1 458113450 LFWXYFIQMDEIMY-HRCADAONSA-N 257.377 3.507 30 20 CHED C=CC(C)(C)CN[C@H](C)c1sc(CCOC)nc1C 453314287 YFYLTWJPTMADOE-LLVKDONJSA-N 282.453 3.503 30 20 CHED CN(C[C@H]1OCCc2ccccc21)CC(C)(C)CCC#N 271149669 SWWIXXBEPUYUBL-QGZVFWFLSA-N 286.419 3.562 30 20 CHED C#CCCN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 273301226 MZDDWUHBTPLGIX-NSHDSACASA-N 288.391 3.932 30 20 CHED C[C@H](NCc1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 540706835 UJZABHDKRBWOMF-JTQLQIEISA-N 290.288 3.826 30 20 CHED C[C@@H](C#N)CNC(=O)N[C@H](CC(C)(C)C)c1ccccc1 542878538 XFYWPEORJKARQG-DZGCQCFKSA-N 287.407 3.623 30 20 CHED C[C@@H](NCCSC(C)(C)C)c1ccc(C#N)c(F)c1 271930909 IBJQTYVKUIHMQF-LLVKDONJSA-N 280.412 3.880 30 20 CHED C=CCC[C@@H](Nc1cccc(C(=O)N(C)C)c1)C1CC1 272071290 KKYBQYCBXAOUEH-MRXNPFEDSA-N 272.392 3.545 30 20 CHED C=C(C)Cn1c(CC2CC2)nnc1Nc1ccc(OC)cc1 463092593 XYYCRERFNQQGID-UHFFFAOYSA-N 298.390 3.559 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccsc1Cl 620864723 MJSAKNYQSROBAM-UHFFFAOYSA-N 257.786 3.876 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CCCC1 271280648 KRRXNEQVMFMWLP-UHFFFAOYSA-N 299.157 3.721 30 20 CHED C=CCC[C@@H](NCc1cccc(CO)c1)c1ccco1 279117540 WVVJESHLAVLJLP-MRXNPFEDSA-N 271.360 3.569 30 20 CHED C=CCOc1ccc(CN[C@H](CC)CC=C)cc1OC 466398900 KMUUQUCHTVZZKZ-OAHLLOKOSA-N 275.392 3.704 30 20 CHED N#CCCN(CCCc1ccccc1Cl)CC1CC1 542279476 ZHIYWRRAZWIJPL-UHFFFAOYSA-N 276.811 3.898 30 20 CHED CC#CCCNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 541747229 SKWGQBJKOXIPRJ-OAHLLOKOSA-N 271.404 3.833 30 20 CHED CC(C)Nc1cc(F)ccc1NC(=O)CC(C)(C)C#N 283199745 WOQWNXDRIZWQEA-UHFFFAOYSA-N 277.343 3.524 30 20 CHED N#Cc1ccc(CN2CC[C@@H](CC3CC3)C2)c(Cl)c1 559416692 RZCBSJDMXIKBMN-AWEZNQCLSA-N 274.795 3.834 30 20 CHED CCCCCCCCC(=O)N1CC[C@H]([C@H]2CCOC2)C1 378222791 IDTSGBYLPGMYTA-HOTGVXAUSA-N 281.440 3.622 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 461877616 NOAUULWNFXDWMM-BLLLJJGKSA-N 298.773 3.705 30 20 CHED CC(C)n1nccc1/C=C1/C(=O)c2ccccc2[C@H]1C 289889194 JIPIRGLUAKAZKV-HMHNVIDESA-N 266.344 3.847 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2cc(F)ccc21 558907919 OOJGHZCVFLTVGJ-LBPRGKRZSA-N 276.355 3.643 30 20 CHED Cc1csc(NC(=O)CCO[C@H](C)CC(C)C)c1C#N 288882511 RQTILKJICXICNH-GFCCVEGCSA-N 294.420 3.708 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)Cc1ccccc1OC 466534551 QRQNLPHPBNFXQR-HNNXBMFYSA-N 289.419 3.735 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1c(C)cccc1C(C)C 556499356 DWCUFVVSUNOOJC-UHFFFAOYSA-N 293.370 3.946 30 20 CHED C#Cc1ccc(CN[C@H](COCC(C)C)c2ccco2)cc1 289326076 UIMVCRQFCVNUEA-GOSISDBHSA-N 297.398 3.764 30 20 CHED Cc1cc(C#N)cnc1C(=O)NCC(C)(C)C1CCCCC1 551783097 SLBTXAXJIMPABZ-UHFFFAOYSA-N 299.418 3.598 30 20 CHED C=C(C)CCc1noc([C@@H]2CCCN2Cc2ccccc2)n1 285049082 HMLJFVQDBZXURQ-INIZCTEOSA-N 297.402 3.915 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc2ccn(C)c(=O)c2c1 551570505 FPGFHSUSDSTDJP-QWHCGFSZSA-N 270.376 3.551 30 20 CHED C=CCCCC(=O)N(CCC)Cc1ccc(F)cc1 479515931 ZKOOSHXJYKGMPN-UHFFFAOYSA-N 263.356 3.921 30 20 CHED CCCN(CC#N)C(=O)c1ccc(C2=CCCC2)cc1 290697313 JOCFGPTWJCHIGJ-UHFFFAOYSA-N 268.360 3.630 30 20 CHED C=CCn1c(SCOC2CCC2)nc2ccccc21 808012028 CBTOUDWUCINGSO-UHFFFAOYSA-N 274.389 3.841 30 20 CHED C=CCCCCCCNC(=O)NCc1ccc(OC)cc1 806004680 OEVOCLWVEAADHY-UHFFFAOYSA-N 290.407 3.631 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 476646713 RSKRYPLTCPKENL-IAGOWNOFSA-N 298.430 3.969 30 20 CHED C=CCCCCNC(=O)c1cc2ccccc2s1 471686599 GDSLAQDBWGMZGX-UHFFFAOYSA-N 259.374 3.987 30 20 CHED C#C[C@@H](NC(=O)c1ccc(OC)c2ccccc12)C(C)(C)C 807881524 MDIPVFFUJNKEKC-QGZVFWFLSA-N 295.382 3.626 30 20 CHED N#CCCCC(=O)Oc1c(Cl)cccc1Cl 291097442 IRMUUPJFYLNONV-UHFFFAOYSA-N 258.104 3.593 30 20 CHED C#C[C@@H](NCc1cc2cc(F)ccc2o1)C(C)(C)C 809781493 STQRDKQEBGTGCR-OAHLLOKOSA-N 259.324 3.709 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(O[C@H](C)CC)c1 567021227 OSBWSGPYSGOPCC-QWHCGFSZSA-N 276.380 3.950 30 20 CHED C#CC[C@@H](NC(=O)N1CC(C)(C)[C@H]1C1CC1)c1ccccc1 292800231 CTXJIPZKORVHCZ-IAGOWNOFSA-N 296.414 3.581 30 20 CHED C=CCCCC(=O)N(C)[C@@H](COC)c1ccc(Cl)cc1 470564525 HHQSUGQYAPQQTI-HNNXBMFYSA-N 295.810 3.842 30 20 CHED C=CCCCCNc1ccccc1C(=O)N(CC)CC 562772316 XIEAGKMCFXRMRI-UHFFFAOYSA-N 274.408 3.937 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCS[C@@H](c2ccccc2)C1 644642610 LGYWOPDNOTXURB-OAHLLOKOSA-N 289.444 3.905 30 20 CHED CN(Cc1cccc(Br)c1)[C@@H]1CC[C@H](C#N)C1 293374688 FXZYBORXHNSNDF-SMDDNHRTSA-N 293.208 3.573 30 20 CHED C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC12CCCCC2 477088492 LRFGDVBAKDVLQM-NSHDSACASA-N 275.314 3.534 30 20 CHED COC(=O)c1cc([C@H](C)SCCCCC#N)oc1C 292446036 NJTAKENQUQOEAU-NSHDSACASA-N 281.377 3.863 30 20 CHED CCOc1ccc(/C=N/[C@@H](C2CC2)C(F)(F)F)c(O)c1 806552356 RTBZGAUMBNVWQE-VFJJTOLMSA-N 287.281 3.551 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCC(C)C 471491009 BESPLTFFVSTWRE-UHFFFAOYSA-N 274.408 3.820 30 20 CHED Clc1cccc(CNN=Cc2ccc(Cl)o2)c1 814868301 ZOMVGEPFNGHGFJ-UHFFFAOYSA-N 269.131 3.710 30 20 CHED CC(C)c1cnc(C=NNc2ccccc2[N+](=O)[O-])s1 814685557 JGXRKQRHWDIXAD-UHFFFAOYSA-N 290.348 3.621 30 20 CHED C=CCCCCCCCNC(=O)NCc1ccoc1 811866984 JVARLEOVYKJFDD-UHFFFAOYSA-N 264.369 3.605 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](CC(C)C)c1ccccc1 484295409 YHYWKESAORGYDP-WBVHZDCISA-N 286.419 3.824 30 20 CHED N#Cc1ccccc1SCc1cccc(F)c1C#N 488266733 SZBUMADDQRVYIP-UHFFFAOYSA-N 268.316 3.861 30 20 CHED CC1(C)CCCN(C/C=C/c2ccc(F)c(F)c2)[C@H]1C#N 564305700 YGPGBFYGTXQMIZ-WMHVBEDNSA-N 290.357 3.992 30 20 CHED CCC(=NNc1cncnc1)C12CC3CC(CC(C3)C1)C2 811648625 VQYQHTMBAMJLMA-UHFFFAOYSA-N 284.407 3.871 30 20 CHED C=C[C@H]1CCCCN1c1ccc(C(F)(F)F)cn1 486462523 DIHRJFJHNXNMDH-NSHDSACASA-N 256.271 3.645 30 20 CHED C=CCC[C@@H](C(=O)N(CC)c1cnn(C)c1)c1ccccc1 655333385 NIDXHWNJUFTMQI-QGZVFWFLSA-N 297.402 3.523 30 20 CHED CC1=CCCN(c2c(C#N)cnc3ccc(C)cc23)C1 487737250 DSRUVCMXBWMIEX-UHFFFAOYSA-N 263.344 3.571 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(C#N)c(C)c1 577443320 OILMCALVWOFEFA-GOSISDBHSA-N 279.387 3.845 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(C3CCCCC3)CC2)C1 815018679 XVARWGFXPCLGOM-RHSMWYFYSA-N 260.425 3.971 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1Cc1ccccc1 815184712 HYOHDODSZWJXTE-OAHLLOKOSA-N 293.357 3.822 30 20 CHED C=C[C@H]1CCCCN1C(=O)CSc1ccccc1Cl 488824145 ZDWGWEJSFDHRTF-LBPRGKRZSA-N 295.835 3.999 30 20 CHED C=CCCCCCCCNC(=O)c1c(CC)noc1C 811589976 MYDIKPHOUAFSCW-UHFFFAOYSA-N 278.396 3.802 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(F)cc2F)c(C(F)F)n1 812242277 UODDRPLVBYDKAR-GORDUTHDSA-N 298.239 3.532 30 20 CHED N#Cc1c(Cl)nsc1NC[C@H]1C[C@H]2CC[C@H]1C2 725792509 RVOQPHSXZBARPP-XHNCKOQMSA-N 267.785 3.516 30 20 CHED COc1ccc(F)cc1/C=C1/Cc2ccc(C#N)cc2C1=O 812242650 SOZPITRMBLMBLB-ZSOIEALJSA-N 293.297 3.528 30 20 CHED CO[C@H]1CCCCC1=NNc1cc(Cl)nc(Cl)c1 819831022 INKVOPKZXYULDG-JTQLQIEISA-N 288.178 3.745 30 20 CHED C[C@]1(C(=O)NC2(C#N)CCCCC2)C[C@@H]1c1ccccc1 573543342 ZXDNDDYURKINQT-WBVHZDCISA-N 282.387 3.523 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)c1cccc(CC#N)c1 482681450 SMJKXYQOVXMHBN-KEYYUXOJSA-N 284.403 3.555 30 20 CHED C=CC[C@H](Cc1ccccc1)n1cc(C(=O)C2CCC2)nn1 656457580 OQFQDXWEAUKFCB-MRXNPFEDSA-N 295.386 3.621 30 20 CHED N#Cc1cncc(N[C@H](c2ccccc2F)C2CCCC2)n1 570269960 VBFCIJMVZALJMY-KRWDZBQOSA-N 296.349 3.831 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1cccc2ccsc12 651181440 LSUWGRWKIWAWBD-LLVKDONJSA-N 274.389 3.665 30 20 CHED C=CCC1(c2nc([C@@H]3CCOC(C)(C)C3)no2)CCC1 651440268 JEQCPQNESNAZKG-GFCCVEGCSA-N 276.380 3.740 30 20 CHED Cc1csc(NC(=O)[C@@H]2CC23CCCCC3)c1C#N 577678275 NZTZIWWGBRSDNK-LBPRGKRZSA-N 274.389 3.837 30 20 CHED C=CCCNC(=O)N[C@H]1CCSc2ccc(Cl)cc21 661572703 XLVHENDPWRJFPD-LBPRGKRZSA-N 296.823 3.752 30 20 CHED C=CCc1ccc(OCc2oc(CC)nc2C)c(OC)c1 663934409 ADYOMMXXMBWNRJ-UHFFFAOYSA-N 287.359 3.862 30 20 CHED CCCCCCCC(=O)OCc1ccc([N+](=O)[O-])cc1 827334690 NFMIEYGVIBCXBP-UHFFFAOYSA-N 279.336 3.999 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cn1 728811387 WEYFKYJNDOMKTH-LBPRGKRZSA-N 298.773 3.550 30 20 CHED COc1cccc(C=NOCc2cc(C)ccc2C)c1OC 824206148 RHTIZAWWVOVZEF-UHFFFAOYSA-N 299.370 3.871 30 20 CHED CCN(C(=O)Nc1scc(C)c1C#N)[C@@H](C)C(C)C 581139818 HQNLYDFZMAMTIH-NSHDSACASA-N 279.409 3.827 30 20 CHED N#CCCCOc1cccc(NC(=O)CCCC2CC2)c1 589692257 NSULWPNHUILYEJ-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ncc(C)cc1Br 904044248 LUSSMBNHRUCKME-SNVBAGLBSA-N 297.196 3.693 30 20 CHED C=CCN(C(=O)c1cnc(CC(C)C)s1)C(C)(C)C 906035146 WQYVZLOPHURJOZ-UHFFFAOYSA-N 280.437 3.768 30 20 CHED C=CCCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 494956115 SYFGJMAYVCPSMH-WMLDXEAASA-N 277.383 3.849 30 20 CHED C#CCCCCNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 823295096 BXBISSQUJCZNGZ-KRWDZBQOSA-N 298.430 3.973 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccn2cc(C)nc2c1 668159504 YJDPMZHKPLGICY-LBPRGKRZSA-N 286.379 3.509 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)/C=C\c1ccsc1 492472874 LBHJLEOIEYJCAV-ZHRWSRJISA-N 298.367 3.691 30 20 CHED N#CC1(C(=O)OCc2c(Cl)cccc2Cl)CCC1 736838964 LOOPUCHNXFZTMB-UHFFFAOYSA-N 284.142 3.730 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)CCCCCC#N 588621392 BSZWSBNYQDGFQS-CABCVRRESA-N 264.413 3.888 30 20 CHED C#CCOc1ccc(NC(=O)Nc2cccc(C)c2)cc1 731042276 JUJMDTRDJATKPQ-UHFFFAOYSA-N 280.327 3.651 30 20 CHED Fc1cccc(NN=Cc2occc2Br)c1 735229375 CVVSVOOYNWSDCR-UHFFFAOYSA-N 283.100 3.627 30 20 CHED CC(C)[C@H]1CCCN(C(=O)CCCCCC#N)CC1 588158151 HMIGIVRMPATWJX-HNNXBMFYSA-N 264.413 3.745 30 20 CHED CCn1nc(C)c(/C=C\C(=O)c2csc(C)c2)c1C 834446691 CNMKIIKTVCTNAU-SREVYHEPSA-N 274.389 3.786 30 20 CHED N#CCCCOc1cccc(/C=C\C(=O)c2cncs2)c1 735792701 IZVKWBJKVAIJGC-SREVYHEPSA-N 298.367 3.722 30 20 CHED CO[C@H]1C[C@@H](c2ccccc2)CCC1=NOC(C)C 834999703 DQBCHUKQQIDDNX-HOCLYGCPSA-N 261.365 3.750 30 20 CHED CC(=O)CCCCCCC(=O)Nc1cc(C)cc(C#N)c1 837140626 DLMSKFMCIPKLTM-UHFFFAOYSA-N 286.375 3.735 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1ccc(C)nc1C 835021707 QSGKUYCBUYVRPF-SFHVURJKSA-N 297.377 3.839 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CSCCS2)CCCCC1 836957240 RQABLMSLWNQDTD-CYBMUJFWSA-N 299.505 3.620 30 20 CHED CC(C)c1ccc(N[C@H](C(=O)O)c2ccc(C#N)cc2)cc1 736515081 FUPNJOSIMXVMTE-KRWDZBQOSA-N 294.354 3.919 30 20 CHED C#CCOc1ccc(CNC[C@H](C)c2ccccc2)cc1 733323019 JKANUJKAIBVOIY-INIZCTEOSA-N 279.383 3.592 30 20 CHED CC(=NNc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 834914437 PJAULAMBVUIKGN-HZSPNIEDSA-N 264.756 3.695 30 20 CHED CC(C)(NC(=O)/C=C/c1ccccc1C#N)c1cccs1 735018151 QRGVTVFUOCRZEJ-MDZDMXLPSA-N 296.395 3.684 30 20 CHED CC/C=C(/C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 731644796 BULDXTKJVSTKEI-OMPYUXFZSA-N 296.292 3.743 30 20 CHED CC(C)(CC#N)CNC(=O)c1cc2cccc(Cl)c2o1 837888098 CSYSCZSDAKUOFX-UHFFFAOYSA-N 290.750 3.756 30 20 CHED N#CCCCC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 589833739 MFIPIRCIGRFJKE-OAHLLOKOSA-N 295.386 3.568 30 20 CHED CC(=NN=C1CCCC12CCCCC2)c1cnccn1 834960686 YYVYLRACTFXKCU-UHFFFAOYSA-N 270.380 3.776 30 20 CHED CC[C@H]1CCCC1=NNc1ccc(C(=O)OC)c(F)c1 835018780 UOKOIMPFTJWMAV-JTQLQIEISA-N 278.327 3.590 30 20 CHED N#CC1(CC[S@@](=O)CC=C(Cl)Cl)CCCCC1 905236431 RNCPOPRJPHSZFA-KRWDZBQOSA-N 294.247 3.918 30 20 CHED C=C(C)CN=c1[nH]c(-c2ccc(F)cc2)c(C)s1 589631908 SXHPICRUEJXHRP-UHFFFAOYSA-N 262.353 3.668 30 20 CHED CCc1ccc(NC(=O)Nc2cccc(OCC#N)c2)cc1 733623240 YTIOEDUUCZJZQJ-UHFFFAOYSA-N 295.342 3.795 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](CCC)C1 583577879 RRKSAFQXTYUNNU-HNNXBMFYSA-N 290.455 3.994 30 20 CHED C=CCCCCOC(=O)c1sc(Cl)nc1C 837570540 WLMBWJCBBMPROE-UHFFFAOYSA-N 259.758 3.618 30 20 CHED C=CC[C@H](NC(=O)N(CCC)CC1CC1)c1ccncc1 734684474 SAQRRXYXERPSPE-INIZCTEOSA-N 287.407 3.530 30 20 CHED CCN(C(=O)[C@@H](C)c1cccc(CC(C)C)c1)[C@@H](C)C#N 598363228 NSYWWYJZSVRMDV-GJZGRUSLSA-N 286.419 3.749 30 20 CHED N#CCCCC(=O)O[C@H]1C[C@@H](c2ccccc2Cl)C1 835968421 GOOFNDFPNMBDMG-TXEJJXNPSA-N 277.751 3.823 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(-c2ccccc2)on1 835229354 SDIBWJPMFQBPLM-UHFFFAOYSA-N 271.316 3.597 30 20 CHED CC(=NNc1ccc(Cl)nn1)[C@H]1CCCC[C@H]1C 834921798 WZTUOWBVODHIJH-KOLCDFICSA-N 266.776 3.744 30 20 CHED CC[C@@H](CC#N)NCCSc1ccc(Cl)cc1 594010931 XUPOUUSAIMBFNI-LBPRGKRZSA-N 268.813 3.714 30 20 CHED C=C(C)CNC(=S)N(CCC(C)C)CCC(C)C 916115858 PFDTVUUHLJJMFG-UHFFFAOYSA-N 270.486 3.831 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1cccc(Cl)c1)CC(C)C 598782819 KIMJNDRMXDGDHB-CQSZACIVSA-N 292.810 3.874 30 20 CHED Cc1ccccc1N=C1NN=C(C2CCCC2)CS1 743277261 NASNQAOJXCQSJG-UHFFFAOYSA-N 273.405 3.865 30 20 CHED CCc1cccc2cc(CN[C@@H](CC)CC#N)oc12 597085059 BFFWZZSCCSJLMM-AWEZNQCLSA-N 256.349 3.777 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 590748552 FVJUQFFXBHAFFH-PBHICJAKSA-N 284.403 3.734 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1ccc2c(c1)COC2 742435628 WJEVNHJQNSLSLJ-QHHAFSJGSA-N 286.277 3.891 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)c1cccc(C(F)(F)F)c1 910817502 LGPZRMSKSUMBEC-JTQLQIEISA-N 284.281 3.608 30 20 CHED N#CC1(CSCC(=O)OC2CCCCC2)CCCC1 917583493 OONWFFRSPUMHDK-UHFFFAOYSA-N 281.421 3.679 30 20 CHED N#CC1(CCOC(=O)[C@@H]2Cc3ccccc32)CCCCC1 840235929 YSFJPONMESANLM-MRXNPFEDSA-N 283.371 3.734 30 20 CHED CN(CC(=O)Nc1ccc(C#N)cc1)C1CCCCCCC1 748804988 JHXOGUMGICGGIQ-UHFFFAOYSA-N 299.418 3.541 30 20 CHED Cc1cc(C)cc(NN=Cc2cccc3c2OCCCO3)c1 917539934 GGJLVXUVRYERLI-UHFFFAOYSA-N 296.370 3.911 30 20 CHED CC[C@@H](CC#N)NCc1ccc(Oc2ccc(F)cc2)nc1 597087203 QZCRUYJKASFSNJ-HNNXBMFYSA-N 299.349 3.795 30 20 CHED CC/C(=C\C(=O)NCC1(C#N)CCC1)c1ccc(C)cc1 841467426 RTKRLOIVMNKJPG-RVDMUPIBSA-N 282.387 3.599 30 20 CHED CCC(CC)CN(CCC#N)C(=O)N1CCCC[C@@H]1C 594448477 KSHYWDMNNXALOK-AWEZNQCLSA-N 279.428 3.633 30 20 CHED CCO[C@@H]1CC(=NNc2cncc(Cl)n2)C1(CC)CC 748249843 HIGTXISXSWDGOZ-LLVKDONJSA-N 296.802 3.513 30 20 CHED N#Cc1cnc2ccccc2c1N1CC[C@@H](C2CCC2)C1 591204317 RCFDXPDDBLASCS-CQSZACIVSA-N 277.371 3.733 30 20 CHED N#Cc1ccc(SCC2(O)CCSCC2)c(Cl)c1 594713385 FALMZWAUNXHUOB-UHFFFAOYSA-N 299.848 3.562 30 20 CHED C=C(CNC(=O)Nc1ccc(C)cc1OC)c1ccccc1 672647907 GZVBVUSBDGDGLO-UHFFFAOYSA-N 296.370 3.839 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 593537417 COZRJEWGDKNZIJ-XHDPSFHLSA-N 292.329 3.568 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)Cc1csc2ccccc12 845635344 ZVKUTMZEJQCBFP-LLVKDONJSA-N 290.388 3.549 30 20 CHED CCc1nnc(S[C@@H](C#N)Cc2ccc(C)cc2)s1 594916025 MWHITSBBUSRUEG-GFCCVEGCSA-N 289.429 3.636 30 20 CHED CCCCCCCCC(=O)NCc1ccc(C)nc1 915735162 ZRRLQIZFRHYWRO-UHFFFAOYSA-N 262.397 3.757 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)C1(C(F)(F)F)CCCCC1 598837191 GAPNQYMBPIOOEO-JTQLQIEISA-N 290.329 3.554 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)CCCCCC#N)C1 590888727 SUGYZGIZEMGMLM-SOUVJXGZSA-N 264.413 3.791 30 20 CHED CC(=NOCc1ccc(F)cc1)c1sc(C)nc1C 915214788 OAXLCYQNXQYLDT-UHFFFAOYSA-N 278.352 3.840 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1c(-c2ccccc2)oc(C)c1C 594086778 BYMRBWZTOAZPAG-OAHLLOKOSA-N 296.370 3.938 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C3CCC3)C2)cc1 840977300 HCAJPKLZRRUTSF-RHSMWYFYSA-N 284.403 3.599 30 20 CHED CCCCCCCCOC(=O)c1cncnc1CC 918494679 YKQDDUFSTFOORP-UHFFFAOYSA-N 264.369 3.556 30 20 CHED C[C@H](CO)N(C)N=C1CCC[C@H](c2ccc(Cl)cc2)C1 842539065 RJHHOELVUJBTRT-OCCSQVGLSA-N 294.826 3.666 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2ncc(C#N)cc2C)n1 590285320 LDSWWAJMTDDAMM-KBPBESRZSA-N 296.374 3.996 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc(C3CC3)c2)C1 597177544 OUPCTHQZNBPQPG-AWEZNQCLSA-N 254.377 3.690 30 20 CHED C[C@@]1(C#N)CCCN(c2nc3ccccc3n3cccc23)C1 596196870 WWVGJAKPKBIIIM-SFHVURJKSA-N 290.370 3.618 30 20 CHED C[C@@H](C#N)N(C(=O)[C@H](C)CCCc1ccccc1)C1CC1 598132157 GDXJFOBCNYLPBJ-CABCVRRESA-N 284.403 3.548 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 929301804 HNLHBCSPBABHIT-GFCCVEGCSA-N 297.345 3.849 30 20 CHED CC(C)[C@@H](CN[C@H](C)CC(C)(C)C#N)c1cccnc1 925233762 HWGNZOSWBOKYGK-GDBMZVCRSA-N 273.424 3.739 30 20 CHED Cc1cc(Cl)cc(C)c1OC(=O)Cc1ccc(C#N)cc1 749786818 XYFIKJVNVLEEMF-UHFFFAOYSA-N 299.757 3.977 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1(Cc2ccc(F)cc2)CC1 926531946 JFYZFEDJVBODRT-ZDUSSCGKSA-N 274.383 3.819 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)CC1CCCCC1 741642586 ODXHXWDBEBWGLO-UHFFFAOYSA-N 289.350 3.747 30 20 CHED CC(C)(CC(=O)N1CCC[C@H](C#N)C1)C1CCCCC1 928217084 JPJBCEZAHHUJDJ-CQSZACIVSA-N 276.424 3.745 30 20 CHED C=C[C@@H](OC(=O)[C@H](C)OCCCC)c1ccccc1 857658284 DQGMNDMFLTWMLP-DZGCQCFKSA-N 262.349 3.662 30 20 CHED C=C(Cl)CN[C@@H](c1cccnc1)c1ccc(F)c(C)c1 753679154 JWBFAPIXLWWCNM-MRXNPFEDSA-N 290.769 3.961 30 20 CHED C#CCCOC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 858888563 OGXMLPLJPKLIMS-UHFFFAOYSA-N 296.370 3.507 30 20 CHED C#CCCCC(=O)Nc1ccccc1COC(C)(C)C 928387667 DQAXQEIOFOLRGT-UHFFFAOYSA-N 273.376 3.744 30 20 CHED CCc1ccc(CCC=NNCc2ccc(C#N)cc2)cc1 758128922 MHEQNUOKQARPRW-UHFFFAOYSA-N 291.398 3.829 30 20 CHED Cc1ccc2c(c1)C(=NNc1nc(C)cc(C)n1)CCC2 753922053 OJQDCCDFGVMWAJ-UHFFFAOYSA-N 280.375 3.554 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1cccc(C(C)(C)C)c1 921147683 FVOMPZSOJFVPEL-ZDUSSCGKSA-N 276.376 3.871 30 20 CHED COCCOc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1 757535784 VRIHPPOAVLVLCU-SQFISAMPSA-N 288.387 3.874 30 20 CHED COc1cccc(NN=Cc2ccc(F)c(Cl)c2)c1 755607952 FHFMIFCWEHPENA-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C=C(Cl)COC(=O)C(F)(F)c1cccc(Cl)c1 921099590 NEBGKRBMQXPEQO-UHFFFAOYSA-N 281.085 3.728 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1ccccc1OC(F)F 929621507 FSILCYXRUQLSHG-NSHDSACASA-N 283.318 3.507 30 20 CHED C=C(Br)COC(=O)C[C@@H]1CCC[C@@H](C)C1 750241367 NBXJQRIYDJYFKC-MWLCHTKSSA-N 275.186 3.655 30 20 CHED Cc1cc2cc(CN[C@H](C)CC(C)(C)C#N)ccc2[nH]1 926418588 SXKJKEYWEZLVGA-CYBMUJFWSA-N 269.392 3.894 30 20 CHED C=CCC[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)O 756384377 CDWYIHPJAVZUEP-GFCCVEGCSA-N 288.174 3.502 30 20 CHED N#Cc1ccc(CNN=C/C=C\c2ccc(F)cc2F)cc1 758129234 NULAEDRDYSWVFL-UIXGIWCNSA-N 297.308 3.625 30 20 CHED CCC[C@H](C)C(CC)=Nn1cc(Br)cn1 752745389 AYDWYJPOVXSKRQ-VIFPVBQESA-N 272.190 3.696 30 20 CHED C[C@@](C#N)(NC(=O)c1cc(Cl)cs1)C1CCCCC1 758842459 JNPQXQPLKHKOQQ-AWEZNQCLSA-N 296.823 3.994 30 20 CHED C#C[C@@H](CC)NC(=O)C1(c2cccc(F)c2)CCCCC1 754683447 YSBIXIDIIQECCJ-INIZCTEOSA-N 287.378 3.556 30 20 CHED CC(C)CN(C/C=C/c1ccc(F)cc1F)CCC#N 757720144 KMZAWLSEJCSHMH-HWKANZROSA-N 278.346 3.850 30 20 CHED CCCCCCCCNC(=O)N[C@H]1CCC(F)(F)C1 754867930 OJUJTBFNJFBXJA-LBPRGKRZSA-N 276.371 3.834 30 20 CHED C#CCCCOC(=O)CCn1ccc2cc(Cl)ccc21 759250924 AKOFTQWNTZEXJN-UHFFFAOYSA-N 289.762 3.641 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1cccc2ccccc12 854249231 ZELWMJCHFMSMRS-AWEZNQCLSA-N 265.356 3.676 30 20 CHED C#CCN(C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21)C1CC1 754313431 ZTYLDMOVBVCNKT-CABCVRRESA-N 281.399 3.600 30 20 CHED C=CCC1(C(=O)OCc2ncccc2Cl)CCC1 859652656 CHEQLUWACBCOTP-UHFFFAOYSA-N 265.740 3.525 30 20 CHED C=C[C@H](CC)CC(=O)N1Cc2cccc(Cl)c2C1 935990599 HHXQQZVSEDTOQO-LLVKDONJSA-N 263.768 3.785 30 20 CHED C=C[C@H](CC)CC(=O)Nc1csc(-c2ccncc2)n1 935401893 KUCYWUNEALSYNH-LLVKDONJSA-N 287.388 3.746 30 20 CHED N#Cc1ccc(OC(=O)/C=C\c2ccc3[nH]ccc3c2)cc1 765913309 WBDLWELSNISKRS-YWEYNIOJSA-N 288.306 3.658 30 20 CHED CC#CC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 764479930 OOHKBLGGBPDOBI-UHFFFAOYSA-N 298.773 3.914 30 20 CHED CCC(CC)N(C(=O)Nc1sccc1C#N)C1CC1 931842886 OICODSSWIHTRAR-UHFFFAOYSA-N 277.393 3.805 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)CCSCC)cc1 766344364 SNICZAIBNFVXOF-LSDHHAIUSA-N 291.460 3.881 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cn(C)nc1C(C)(C)C)C2=O 769606277 CZFBEQVOVMUTIV-GXDHUFHOSA-N 294.398 3.848 30 20 CHED C#CCCCCCOC(=O)/C=C\c1ccc2[nH]ccc2c1 760269569 YASFPZHFFPRSQY-NTMALXAHSA-N 281.355 3.918 30 20 CHED Fc1ccc(NN=Cc2cnc(C3CC3)s2)cc1 761794078 RRFPOZQKGJKBBY-UHFFFAOYSA-N 261.325 3.606 30 20 CHED C[C@]1(C/N=C\c2cc(Cl)ccc2O)CCO[C@H]1C1CC1 767340572 BKJXUAULYNEBJX-ZNYYCOGKSA-N 293.794 3.670 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)N(C)c1ccccc1 766068893 UGYNZVDQFUCERQ-UHFFFAOYSA-N 298.317 3.506 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccc2c1CCOC2 869435559 QKRTXKWZGNDCDB-UHFFFAOYSA-N 286.371 3.571 30 20 CHED C#CCCc1noc(-c2cnc(-c3ccccc3F)s2)n1 762018105 VRELNBUKUOKGOQ-UHFFFAOYSA-N 299.330 3.565 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cccc2nccn12 769611177 WQNGTUHAHMDYRQ-VURMDHGXSA-N 280.302 3.678 30 20 CHED N#Cc1cccc(C2(C(=O)OCC3CCCCC3)CC2)c1 1116326902 QHCAVSDLFCPYQA-UHFFFAOYSA-N 283.371 3.713 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCCC(C)C)c1 1116758683 ZBWMJJVXMJUYTE-HNNXBMFYSA-N 260.381 3.503 30 20 CHED CC/C=C/CCON=CC(=O)Nc1ccc(F)cc1Cl 768921979 IRVZRNLKCCGGJN-NDLWLLKHSA-N 298.745 3.776 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1cccc(OCC#N)c1 768518464 FVDCRKDUKJLVFN-OAHLLOKOSA-N 280.371 3.941 30 20 CHED CC(=NNc1c(C)cccc1F)c1cc(F)cc(F)c1O 769840757 NTPCZLLDBNGQBN-UHFFFAOYSA-N 294.276 3.954 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1ccc2ccccc2n1 765015099 OPYWJHZUJAXSND-CQSZACIVSA-N 287.366 3.957 30 20 CHED COc1nccnc1NN=C1CCC[C@H]1c1ccc(C)cc1 763412028 NDCHSHMPOXCTDB-AWEZNQCLSA-N 296.374 3.529 30 20 CHED C=CCC1(C(=O)N2C[C@H]3CC=CC[C@H]3C2)CCCC1 871523080 LQEVFNCCDOYGNB-GASCZTMLSA-N 259.393 3.548 30 20 CHED C[C@@H](CC#N)OC(=O)/C=C\c1ccccc1C(F)(F)F 870205276 PGVSNBZTSPONIM-GFVADAIESA-N 283.249 3.564 30 20 CHED C#CCOc1cccc(NC(=O)NC(C(C)C)C(C)C)c1 770239620 LRKXSBUMMXKRPT-UHFFFAOYSA-N 288.391 3.501 30 20 CHED C#C[C@H](N[C@H]1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CCCO1 775573167 WUEWNXJMERXPKI-FHWLQOOXSA-N 299.389 3.532 30 20 CHED C=CCN(C)C(=O)Cc1ccc(OCCCCCC)cc1 777840082 NHKDTPSRWXGJOD-UHFFFAOYSA-N 289.419 3.833 30 20 CHED CC(=NNC[C@@H](C)C#N)c1cc2cc(C)c(C)cc2o1 771106733 HQRAWCDVNAKBPE-JTQLQIEISA-N 269.348 3.523 30 20 CHED Clc1ccnc(NN=Cc2cscc2Cl)c1 777905097 AGEDARWIUPHCCQ-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1occc1Br 773125712 PZWZZXXGWFLQGK-LBPRGKRZSA-N 299.212 3.934 30 20 CHED C#CCCCCC(=O)OCC(=O)c1ccc(CCC)cc1 773632399 NJPHGGJLLXCRSS-UHFFFAOYSA-N 286.371 3.559 30 20 CHED CC[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1OC 775070517 XNSPLQMHQYNKRZ-SFHVURJKSA-N 297.373 3.927 30 20 CHED CC(C)C[C@H](C(=O)OCC1(C#N)CC1)c1ccccc1 775858127 IWFXGGAHVZJAQK-HNNXBMFYSA-N 271.360 3.663 30 20 CHED CCCCCCCCCN(C)C(=O)Cc1ccncc1 779656700 WWYCGDSDFSEJPT-UHFFFAOYSA-N 276.424 3.833 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(C)s1 785539978 WDWHYPQPMWJKOQ-FZMZJTMJSA-N 251.395 3.836 30 20 CHED C=CC(C)(C)CC(=O)NC1(c2nc(C)cs2)CCCC1 888951017 PPEULECDGHBZFU-UHFFFAOYSA-N 292.448 3.939 30 20 CHED CCCCCCCCCN(C)C(=O)NC[C@@H](C)C#N 781945312 SVZLAPPEITXNIN-AWEZNQCLSA-N 267.417 3.538 30 20 CHED C#CCC1(C(=O)N[C@@H](C)C[C@H](C)CC)CCCCC1 788226607 XWTLGELJNWKAMM-CABCVRRESA-N 263.425 3.901 30 20 CHED C=C1CCC(C(=O)Oc2ccc(-c3noc(C)n3)cc2)CC1 887765807 HVBBQDHVROMDRL-UHFFFAOYSA-N 298.342 3.697 30 20 CHED C#CCCCCC(=O)O[C@H]1CCOc2c(C)cccc21 789508205 ZWKRLQZKTAUHFK-HNNXBMFYSA-N 272.344 3.555 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc(Cl)cc1F 781168058 WBNMYKZOWYKQSY-JTQLQIEISA-N 286.730 3.504 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OCOCC)cc1 787310577 OXDSCAXVYBDZAM-INIZCTEOSA-N 275.392 3.600 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2cccc(Cl)c2F)s1 782224179 FKCSFNRSCYKZMC-UHFFFAOYSA-N 299.714 3.895 30 20 CHED C[C@H](NN=Cc1cn(CCC#N)c2ccccc12)C(C)(C)C 793117644 XURVQZAATFVETD-AWEZNQCLSA-N 296.418 3.913 30 20 CHED C=C[C@H](OC(=O)c1cccc(NC(C)=O)c1C)C(C)(C)C 798902960 NRSUUGBLQPVRIV-HNNXBMFYSA-N 289.375 3.711 30 20 CHED C[C@@H](NN=Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C 793113484 FZAGCPRYRJHZLW-SECBINFHSA-N 283.759 3.606 30 20 CHED C[C@H](NN=Cc1nc2ccc(Cl)cc2n1C)C(C)(C)C 793113228 BFVHENMZUOCMOS-JTQLQIEISA-N 292.814 3.585 30 20 CHED CC(C)CN(CCC#N)C(=O)Cc1cccc(C(F)F)c1 791128968 SEBHTGMCYZQLQP-UHFFFAOYSA-N 294.345 3.565 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@@H]2CCC(C)(C)C2)c1 797611145 LOTLABJKPQSTMM-OAHLLOKOSA-N 270.376 3.710 30 20 CHED C=CCN(C(=O)c1scc(C)c1Cl)C(C)C 790584402 RTEBKPOHOPCYOF-UHFFFAOYSA-N 257.786 3.747 30 20 CHED C#CCCCOC(=O)CC(C)(C)CC(=O)c1ccccc1 799569175 OAKOSHMTZJZFLB-UHFFFAOYSA-N 286.371 3.632 30 20 CHED C[C@@H]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 1164146577 WQKDVSSZUKBRSP-YPMHNXCESA-N 257.381 3.851 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H](C#N)C1 1232006739 MQTCLLKZCKUEHA-LBPRGKRZSA-N 282.309 3.749 30 20 CHED Cc1cc2c(NC(=O)[C@@H]3CCCC[C@H]3C)n[nH]c2cc1C#N 1164586847 CPDNDXVLIVEXMF-ZWNOBZJWSA-N 296.374 3.508 30 20 CHED Cc1cccc2sc(C(=O)OCC#N)c(Cl)c12 1317776995 AMZLOSOPBJEXEX-UHFFFAOYSA-N 265.721 3.544 30 20 CHED CN(Cc1cccc(OC(F)(F)F)c1)CC1(CC#N)CC1 1168127353 WDOLWCLOUZUFAC-UHFFFAOYSA-N 298.308 3.711 30 20 CHED CCC1CCC(CNC(=O)CC#Cc2ccccc2)CC1 1319657492 XCOKTMDFICNKBE-UHFFFAOYSA-N 283.415 3.761 30 20 CHED CSCCCCCN[C@H](C)c1cccc(C#N)c1 186770187 SLKAYQAECPKVJN-CYBMUJFWSA-N 262.422 3.742 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(CC(C)C)cc1 1320592097 MWCKTZFWVBTOOE-RHSMWYFYSA-N 261.409 3.737 30 20 CHED C=CC(C)(C)CNC(=O)/C=C(\C)Cc1ccccc1OC 1325291766 GNKCGVLVZKFATA-WYMLVPIESA-N 287.403 3.512 30 20 CHED C=CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C 735491556 MHQOZJRBRBUIBA-UHFFFAOYSA-N 268.744 3.645 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(SCC)cc1 1325620535 ZVYQXSCMSQDOSV-TZMCWYRMSA-N 265.422 3.650 30 20 CHED CC(C)(C)CCCc1nnc(COc2ccccc2C#N)o1 1322706249 BJEYPPXKEVLPNA-UHFFFAOYSA-N 299.374 3.889 30 20 CHED C=CCCN(C)C(=O)c1c(CC)oc2ccccc12 1320755078 HUSMAQWORWLMCV-UHFFFAOYSA-N 257.333 3.643 30 20 CHED C[C@]1(c2nnc(-c3cccc(C#N)c3)o2)CC=CCC1 1327351734 AKUFQAGEDCDACK-INIZCTEOSA-N 265.316 3.606 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccnn1Cc1ccsc1 1335223650 KETXBJULYNQQFH-GFCCVEGCSA-N 289.404 3.534 30 20 CHED C[C@H](CC(=O)N[C@H](C#N)C1CCCC1)c1ccccc1F 1331522505 WQTAOBCOZDWXST-MLGOLLRUSA-N 288.366 3.518 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 1336963035 DLTZDRKBGXUZRR-ZIAGYGMSSA-N 261.365 3.936 30 20 CHED C[C@@H](NCC(C1CC1)C1CC1)c1cccc(C#N)c1 88455429 SFRWPZAWIDUAQE-GFCCVEGCSA-N 254.377 3.645 30 20 CHED CCCCCC(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1344929309 HYEUOMUAXGGMAI-JTQLQIEISA-N 289.766 3.973 30 20 CHED C#Cc1cccc(N(C)C(=O)c2sccc2Cl)c1 796126828 MTIKLHQMFPBKJX-UHFFFAOYSA-N 275.760 3.659 30 20 CHED CCCC(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1348798320 IXCHPTSZQCNIMJ-MFKMUULPSA-N 251.351 3.682 30 20 CHED C[C@@H](c1cccc(F)c1)c1nnc(-c2ccc(C#N)cc2)o1 1345867583 SIOCLOSUDZSYDY-NSHDSACASA-N 293.301 3.899 30 20 CHED C=C(C)CCC(=O)Nc1cccc(COC(C)C)c1 1346762505 HOSHNKRPQACPNP-UHFFFAOYSA-N 261.365 3.906 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccsc2C(F)F)C1 1347635007 JMLHBXSNPPPIOI-HTQZYQBOSA-N 271.288 3.535 30 20 CHED N#Cc1cc(Cl)ccc1SCC[C@H]1CCOC1 1348801815 MYNWYHJHPPNLDC-SNVBAGLBSA-N 267.781 3.730 30 20 CHED Cc1ccc2c(CC(=O)O[C@H]3CC[C@@H](C#N)C3)coc2c1 1344016536 GVDQIDZVMQDHCA-OCCSQVGLSA-N 283.327 3.519 30 20 CHED C#CC[C@@H](NC(=O)N(CC1CC1)C(C)C)c1ccccc1 1343040169 SQONEUHCKVXTRT-QGZVFWFLSA-N 284.403 3.581 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1cccc(F)n1 1342701261 WUTCXHYAPZLHFP-UPJWGTAASA-N 274.339 3.613 30 20 CHED Cc1nc(C(=O)NCC2(CC(C)C)CCCC2)ccc1C#N 1435491267 JWGBYCHNALVWHC-UHFFFAOYSA-N 299.418 3.598 30 20 CHED Cc1cc(F)cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 1355850022 XBWGZDFXOKQRGL-DLBZAZTESA-N 294.329 3.748 30 20 CHED C=C(Cl)Cn1c(CC(C)C)nnc1N(C)[C@H](C)CCC 1286630799 VOQYZUAQQAHWEY-CYBMUJFWSA-N 298.862 3.854 30 20 CHED Cc1ccoc1C(=O)Nc1cc2ccccc2cc1C#N 1528323000 RWBDXKGKPMAHPU-UHFFFAOYSA-N 276.295 3.865 30 20 CHED Cc1cc(Cl)ccc1C(=O)N1CCc2cc(C#N)ccc21 1460817650 PLEPGPCNXGGMDG-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1F 1528047859 PKXYVOBLRBQSIV-GFCCVEGCSA-N 262.328 3.708 30 20 CHED CCC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ncc(Cl)n1C 1526586761 CDAGNZAZKRJMEG-NEPJUHHUSA-N 295.814 3.712 30 20 CHED CN(CCC(C)(C)C)C(=O)[C@H](CC#N)c1ccccc1 1461150740 VJGUGPVWDXPEKR-OAHLLOKOSA-N 272.392 3.578 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C#N)o1 1532005413 JTOXFOGURINFIT-UHFFFAOYSA-N 274.707 3.674 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1 1472775297 VZJIAAOPNTYZGU-DZGCQCFKSA-N 296.349 3.544 30 20 CHED CC[C@@H]1CCCCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1544114855 KVJJJSMYGJCCLQ-QZTJIDSGSA-N 298.430 3.940 30 20 CHED Cc1ccc(CC(=O)N(CCC#N)CC(C)C)cc1Cl 1544094646 YRBMJXUFLITCIR-UHFFFAOYSA-N 292.810 3.589 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1544184777 LTNXESJRTFKEKW-XYJFISCASA-N 284.403 3.927 30 20 CHED C=CCCCCCCNC(=O)c1cc(C)cc(C(=O)O)c1 1573367588 XXBVYLGVBMLLEL-UHFFFAOYSA-N 289.375 3.560 30 20 CHED CN(C)c1cc(Nc2c(C#N)cccc2C#N)ccc1Cl 1655876354 QUQSCYLLVIKUHY-UHFFFAOYSA-N 296.761 3.893 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccccc1F 1666900299 GBTSLDRNDSXPQV-GFCCVEGCSA-N 297.333 3.922 30 20 CHED CCc1ccc(CNC(=O)Nc2sccc2C#N)s1 1678962988 NMNJTXMHHKVXJW-UHFFFAOYSA-N 291.401 3.565 30 20 CHED Cc1cccc2c1CC/C(=C\c1ccc(C(=O)O)cc1)C2=O 1777457170 AVKYICYJXDNLNZ-RVDMUPIBSA-N 292.334 3.906 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C#N)c(F)cc1F 1680083730 UFHFNPWSPOZZMH-RNCFNFMXSA-N 293.317 3.537 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCCSCC(C)C)C1 1776154117 DECSZULLLUNACC-MRXNPFEDSA-N 299.480 3.509 30 20 CHED Cc1ccc(NN=Cc2csc(C(=O)O)c2)cc1Cl 1776034842 CLCGZDDZTZYMSK-UHFFFAOYSA-N 294.763 3.854 30 20 CHED Cc1ccc(Sc2ncccc2C(=O)OCC#N)cc1C 5766829 SYLPJEMHJXYIMA-UHFFFAOYSA-N 298.367 3.530 30 20 CHED C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)C1CCCCCC1 150225101 IFWVFBKTKGJCQB-RDTXWAMCSA-N 286.419 3.540 30 20 CHED C#Cc1cccc(NC(=O)c2cc(F)c(C)cc2F)c1 160685051 KXBSJACQRAEIBQ-UHFFFAOYSA-N 271.266 3.507 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(CC)C[C@@H](C)C#N)cc1 156395821 WUJOCOPVPRNICE-GJZGRUSLSA-N 286.419 3.751 30 20 CHED COc1cccc(/C=N/C[C@H](C)c2ccccc2)c1O 5290305 CIGUGPMEGSWEDY-HTMJNSLASA-N 269.344 3.623 30 20 CHED CC(C)(C#N)CCCNc1ccccc1O[C@@H]1CCOC1 154371099 AKONQNVWJYTWNF-CQSZACIVSA-N 288.391 3.596 30 20 CHED CC[C@H](C)N(CCCC(C)(C)C#N)CC(=O)OC(C)(C)C 159228321 DQXFMAMSTNSWAO-AWEZNQCLSA-N 296.455 3.759 30 20 CHED CCCCCCCCN1CCN(C2CCCC2)CC1 915227438 UGONLMLIJCYNBG-UHFFFAOYSA-N 266.473 3.907 30 20 CHED N#CCCCc1nc(-c2cccc(C(F)(F)F)c2)no1 236136054 HCJYKZDHRBAZAA-UHFFFAOYSA-N 281.237 3.602 30 20 CHED COc1ccc(C#N)cc1CNc1cccc(C)c1C 129239887 XMJGCSDGADGNLI-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CCC[C@H](C)Nc1cccc(-c2n[nH]c(C)n2)c1 130620627 XXDQKCMPXNLZLO-NSHDSACASA-N 256.353 3.547 30 20 CHED CCc1ccc(CNc2cccc(OCC#N)c2)cc1 37069490 FHCBMPMJKQFXPO-UHFFFAOYSA-N 266.344 3.763 30 20 CHED Cc1ccccc1NC(=O)Nc1cccc(C#N)c1 59415622 MAZZNSKXMDNHQH-UHFFFAOYSA-N 251.289 3.511 30 20 CHED C[C@H]1Cc2ccccc2CN1c1ncc(C#N)cc1Cl 184172049 XCVLTNZZJOEJEW-NSHDSACASA-N 283.762 3.558 30 20 CHED CC(C)CN(CCC#N)Cc1ccc2c(c1)CCC2 70498884 BGAZWCVIFNDBOH-UHFFFAOYSA-N 256.393 3.547 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CC23CCCC3)cc1Cl 610471536 FJOAJWVJAJGSHL-GFCCVEGCSA-N 274.751 3.730 30 20 CHED C=CCC[C@H](CO)NC1CC(c2ccccc2Cl)C1 321059820 YBHGCLOBDJNUFI-ROKHWSDSSA-N 279.811 3.503 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H](C(C)C)C1 614923117 UELZUNBCPGIOCJ-MRXNPFEDSA-N 256.393 3.735 30 20 CHED C#C[C@H](NCc1cnc(C(C)(C)C)s1)C(C)(C)C 702268500 WGGFZWBSTUULOV-LBPRGKRZSA-N 264.438 3.578 30 20 CHED CC(C)COc1cccc(CNc2ncccc2C#N)c1 57149123 KRRNCMAFZGMODF-UHFFFAOYSA-N 281.359 3.600 30 20 CHED CCC[C@@H](CC)NCc1ccc(N(C)CCC#N)cc1 105462260 VOSLKMIOHXOGJA-MRXNPFEDSA-N 273.424 3.705 30 20 CHED C=C(C)CSCc1nc(-c2ccc(F)cc2)no1 108409869 MALZRTQOGMRZBX-UHFFFAOYSA-N 264.325 3.685 30 20 CHED C/C=C/C=C/C(=O)Nc1sc2c(c1C#N)CCCC2 60524925 CDJDSRHRZVRALK-DSXPNFDZSA-N 272.373 3.569 30 20 CHED C#CCCCNC(=O)N1CCCCC[C@@H]1c1ccccc1 173324015 GLEMVXAENCJGLN-QGZVFWFLSA-N 284.403 3.727 30 20 CHED CC(C)Oc1ccc([C@@H](C)NCCCCC#N)cc1 178647166 AURINWHWSVEZKB-CQSZACIVSA-N 260.381 3.818 30 20 CHED N#Cc1ccc(O)c(NC(=O)c2cc3ccccc3s2)c1 176831125 JPDQSQCEQDLTTD-UHFFFAOYSA-N 294.335 3.731 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)CCC1CCCCC1 116973425 UCNIIYSMARWOGH-CYBMUJFWSA-N 252.402 3.563 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 22137354 VABYBTICEPWMRF-HNNXBMFYSA-N 293.326 3.808 30 20 CHED C[C@H]1COc2ccccc2N1CCCC(C)(C)C#N 174879968 KPDQFFIMDYMPCO-ZDUSSCGKSA-N 258.365 3.604 30 20 CHED CC(C)c1cccc(N/C(N)=N/CCc2cccc(F)c2)c1 303792412 YMRSMWMLBXZKDP-UHFFFAOYSA-N 299.393 3.918 30 20 CHED COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1Cl 185863766 AYEJLLWRJVHFQI-AAEUAGOBSA-N 278.783 3.521 30 20 CHED CCC1(CC)CN(C(=O)NCCCCC#N)c2ccccc21 506503076 GYVLATNVEOTVFD-UHFFFAOYSA-N 299.418 3.968 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@H]2CCO)cc1C(F)(F)F 302470069 UFFDGUGHZXNXOR-HZMBPMFUSA-N 298.308 3.540 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)CCOc1ccccc1 410138610 GZBAJAXZHNANRW-LSDHHAIUSA-N 275.392 3.563 30 20 CHED COc1ccc(N/C(N)=N/CCCC(C)(C)C)cc1Cl 304760382 SHWJPVGGDNRXPM-UHFFFAOYSA-N 297.830 3.902 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 119366735 HSVHYGDPDIRDBG-ZJUUUORDSA-N 259.271 3.810 30 20 CHED C=CC1CCN(C(=O)c2sccc2-n2cccc2)CC1 110968004 QHLNQCQLWXQUHG-UHFFFAOYSA-N 286.400 3.577 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 185604684 UUNARCAYTSKDLV-SFHVURJKSA-N 298.430 3.610 30 20 CHED C=CCCCC(=O)NCCOc1cccc2ccccc12 175373269 LYAZKAKIMPDPLZ-UHFFFAOYSA-N 283.371 3.691 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OCCCC)c(OC)c1 116860311 MFCCNRACMTZXOU-ZDUSSCGKSA-N 291.391 3.569 30 20 CHED N#Cc1cnc2ccccc2c1N1CCC2(CCCC2)C1 301486131 ZVGYSQFHGTVUAU-UHFFFAOYSA-N 277.371 3.877 30 20 CHED C=C(C)CCN(C)[C@@H](C)c1sc(CC)nc1C 352016821 ZYQMYJROSUKMCC-LBPRGKRZSA-N 252.427 3.973 30 20 CHED O=C1/C(=C/c2cn3cc(Cl)ccc3n2)Cc2ccccc21 64359843 ZYQKRDDYMAMBGZ-XYOKQWHBSA-N 294.741 3.810 30 20 CHED CCC[C@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 176749512 ZWVLGOIQDJKNST-NKSUMMKUSA-N 282.387 3.610 30 20 CHED N#CCSCCCN[C@H](c1ccc(F)cc1)C1CCC1 72515957 VANRSRJKWMVFGN-INIZCTEOSA-N 292.423 3.903 30 20 CHED CC(=O)c1ccc(Oc2ccc(C#N)cc2C)c([N+](=O)[O-])c1 60349588 ZJGQGONICJCYHQ-UHFFFAOYSA-N 296.282 3.770 30 20 CHED CCC1(CC)[C@@H](Nc2snc(Cl)c2C#N)C[C@@H]1OC 301728646 WGMLRGQLTVSHCJ-UWVGGRQHSA-N 299.827 3.674 30 20 CHED CC[C@H](CC1CCCC1)C(=O)NCc1cccc(C#N)c1 74435271 BVBIISIQQRPKAI-QGZVFWFLSA-N 284.403 3.781 30 20 CHED C=CCCC(=O)N1[C@@H](C)C[C@H](c2ccccc2)[C@@H]1C 172746592 FAFJBDJTROUZQC-DZKIICNBSA-N 257.377 3.746 30 20 CHED Cc1cnc(N[C@H](CCC#N)c2ccccc2)s1 302904512 VDLKKMKAWIRKPW-CYBMUJFWSA-N 257.362 3.909 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1ccc(F)c(F)c1 120866735 XGFWLUCAMATEQK-SOFGYWHQSA-N 269.250 3.733 30 20 CHED CCC[C@H](C)CC(=O)N(CCC#N)C(C)(C)CC 189929245 PEOVLFQDXUUDAC-ZDUSSCGKSA-N 252.402 3.744 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 183341177 NFNHSXQSLNNXSP-OAHLLOKOSA-N 272.392 3.627 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1cncc(C)c1 184768794 YEMFVXKYHUWQBP-CMDGGOBGSA-N 267.328 3.685 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(Cl)cc1Cl 210509289 SAJHETQGQSEVDQ-HYXAFXHYSA-N 281.142 3.623 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(C)ccc2OC)c1 213739489 UVNZELAXFLOEEK-HJWRWDBZSA-N 282.339 3.908 30 20 CHED C=CCCOC(=O)CCc1c[nH]c2c(C)cccc12 76872555 JXVJIDPRSIWXTQ-UHFFFAOYSA-N 257.333 3.528 30 20 CHED CSCc1ccc(NCc2ccc(C#N)o2)cc1 128995633 VACUWQXRITUIMN-UHFFFAOYSA-N 258.346 3.626 30 20 CHED COc1c(F)cc(NCc2ccc(C#N)cc2F)cc1F 79183780 OCEQIKLRICCOOK-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1CCC 125283887 XETZOGFTRBMXQC-CYBMUJFWSA-N 261.365 3.559 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(Cl)cc1Cl 233295083 PGKZTFBYGPKNTD-JTQLQIEISA-N 270.159 3.525 30 20 CHED C=CCc1cc(C)cc(OC)c1OC[C@H]1C[C@H]2CC[C@H]1O2 418953630 LRIPKSWBFGWEMH-BZUAXINKSA-N 288.387 3.678 30 20 CHED CC(C)(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 78032079 OQYDOSYTLJPSCV-UHFFFAOYSA-N 276.405 3.873 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@@H](C)C1 500172138 MDBLIPYZONKZAN-OLZOCXBDSA-N 286.375 3.722 30 20 CHED N#Cc1ccc(OCCOCC(F)(F)F)c2ccccc12 419056944 SOXFZTNVLXEKRS-UHFFFAOYSA-N 295.260 3.669 30 20 CHED Cc1cc(CNc2ccc(F)cc2C)ccc1C#N 443955092 BLQISRXKMYPWRJ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=C(C)CN(C)C(=O)CC1(CSc2ccccc2)CC1 186701665 DQDFNSFMDIRTHJ-UHFFFAOYSA-N 289.444 3.984 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1c(C)nn(C)c1C 126461837 OYFWQGCFBOSDAD-ZDUSSCGKSA-N 293.455 3.763 30 20 CHED C=CCC[C@H]1NC(=O)N([C@@H](C)c2cccc(C3CC3)c2)C1=O 419967907 OYWOLHRMWZEUTO-BLLLJJGKSA-N 298.386 3.512 30 20 CHED COC1(CCSCCCC2(C#N)CCOCC2)CCC1 419524465 RTOPRDACOIETLC-UHFFFAOYSA-N 297.464 3.779 30 20 CHED CC[C@H](CC#N)NC(=O)/C=C(\C)c1ccccc1Cl 183818443 VRWFZGIBGLRUMJ-HCRIHEDKSA-N 276.767 3.552 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)CC/C1=C/c1ccc(F)nc1 186374462 CXJDBFIKKWSDCW-PVRNWPCDSA-N 298.292 3.585 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCNc1ccc(C#N)cc1F 506849184 CZMYAFUFNMPBKC-WBMJQRKESA-N 276.355 3.705 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1scc(C)c1C#N 410861194 RRSNYLBMVUUYEC-LLVKDONJSA-N 264.394 3.939 30 20 CHED CN(C(=O)c1cc(C#N)cs1)[C@H]1CCC[C@H]1C(C)(C)C 416297417 XHOVCUJYIDHNEX-OLZOCXBDSA-N 290.432 3.907 30 20 CHED CCCNc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 193360847 MWQQFQXLEIHPIO-RDJZCZTQSA-N 271.408 3.680 30 20 CHED C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 130503081 IBSIAROABIQHIP-MAUKXSAKSA-N 292.382 3.951 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1cc(C#N)cs1 84068437 IPXCEGKPRFZOGL-UHFFFAOYSA-N 284.384 3.672 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc3c(c2)CCO3)n1 508631024 HSRLPTXWZXAXHT-VMPITWQZSA-N 282.343 3.684 30 20 CHED C#CCSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 193586494 MGZOALGOYMCQKD-UHFFFAOYSA-N 272.373 3.759 30 20 CHED C=C(C)CS[C@@H]1CCN(c2cccc(Cl)c2)C1=O 426200664 IWSDJXOFEFPATN-CYBMUJFWSA-N 281.808 3.755 30 20 CHED Cc1ccc(CNc2snc(Cl)c2C#N)c(C)c1 48565506 RQDKOWODSPNCMJ-UHFFFAOYSA-N 277.780 3.897 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(C)ccc1C 512225672 FWVQVCNMVULTBO-UHFFFAOYSA-N 299.414 3.967 30 20 CHED Cc1ncc(CN(C)[C@H](C)c2ccc(C#N)cc2)s1 194972633 AYXHMJVSTZCEMH-LLVKDONJSA-N 271.389 3.516 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(C)Cc1ccc(C#N)cc1 516391813 KLGWWBWXGWHLDI-YOEHRIQHSA-N 284.403 3.733 30 20 CHED CC(C)(CCC#N)COC(=O)c1c[nH]nc1-c1ccccc1 195083812 OWNOELPJKPBHOY-UHFFFAOYSA-N 297.358 3.563 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(OC(F)F)c1 424585420 CMWVPQLIXSQCJQ-UHFFFAOYSA-N 269.291 3.829 30 20 CHED N#Cc1ccc(Sc2ncnc3sccc23)cc1 48837476 PUQQJNBLLHMZBT-UHFFFAOYSA-N 269.354 3.714 30 20 CHED C#CCCCC(=O)Nc1ccccc1SC[C@@H](C)C#N 192291126 JPOUBZXQGUQASZ-ZDUSSCGKSA-N 286.400 3.680 30 20 CHED CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)NCCC#N 426415149 CDRZYURNBFIODT-MRXNPFEDSA-N 299.418 3.691 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 331019751 JIIIHVFGBJEGSR-OIISXLGYSA-N 284.403 3.769 30 20 CHED CC1=C(C(=O)N2CCC(C)(C#N)CC2)CCC(C)(C)C1 336202463 BILVDEAMCXMGKS-UHFFFAOYSA-N 274.408 3.665 30 20 CHED CN(C(=O)[C@H]1CCCc2ccccc21)c1cccc(C#N)c1 143613893 OHHBMDSGPVOFCZ-SFHVURJKSA-N 290.366 3.641 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425133767 TWJNVWTXXPRXND-IHRRRGAJSA-N 272.392 3.760 30 20 CHED C[C@H](C(=O)N1CCCc2cc(C#N)ccc21)c1ccsc1 335377406 ZNMIJMWRKHTJLI-LBPRGKRZSA-N 296.395 3.703 30 20 CHED CCc1nsc(Oc2c(C)cc(Cl)cc2C#N)n1 420640996 NEEUASHPUVUYRF-UHFFFAOYSA-N 279.752 3.726 30 20 CHED C=CCC[C@H](CCC)N[C@H](CO)CC1CCCC1 511014975 TUSWJVZLRTWXHC-HOTGVXAUSA-N 253.430 3.652 30 20 CHED CCC[C@@]1(C)CCCN(/C(O)=N/Cc2ccc(O)cc2)C1 330935749 OUAVPVHNFZDDHY-KRWDZBQOSA-N 290.407 3.708 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)c1ccccc1C 194752212 ICRHERXGJUPBLZ-UHFFFAOYSA-N 259.393 3.697 30 20 CHED C=C(CNC(=O)N(C)[C@@H]1CC[C@H](C)C1)c1ccccc1 512677608 LJFAYNLXBRVBEI-XJKSGUPXSA-N 272.392 3.530 30 20 CHED C=CC1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 93359255 FMAZBTVHIGDJDV-UHFFFAOYSA-N 285.366 3.614 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](C)Sc1ccccc1 424694586 PZPGEOWCNXBJNZ-ZDUSSCGKSA-N 277.433 3.886 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc2nccn12 179737122 MFJAETWMJCMZGN-UHFFFAOYSA-N 277.371 3.523 30 20 CHED Cc1cc(N2CCCC2)ccc1N[C@@H]1CC[C@H](C#N)C1 334770017 BBKOCXFUSWPKQU-LSDHHAIUSA-N 269.392 3.699 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(OC(C)C)cc1 424578730 SMAJRLCGPAQTPT-UHFFFAOYSA-N 275.392 3.692 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 337028654 CJKSTPZGKYCMFO-GWCFXTLKSA-N 298.308 3.617 30 20 CHED Cc1ccc(CCC(=O)N(C)c2cccc(C#N)c2)s1 514980143 VAETWUHDDVLHGZ-UHFFFAOYSA-N 284.384 3.524 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)C(C2CC2)C2CC2)cc1 92704018 RTTQKOOBVSMZSY-CYBMUJFWSA-N 284.403 3.598 30 20 CHED Cc1cc(C)c(CC(=O)N[C@@](C)(C#N)CC(C)C)c(C)c1 330663665 VKEPWLNWCIBSMV-GOSISDBHSA-N 286.419 3.599 30 20 CHED COc1ccc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)c(C)c1 331279092 AKGYKJZOURIKIB-ZYHUDNBSSA-N 262.353 3.518 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(C)cc(F)c1 439436308 IDUHVOSYUFONRE-GFCCVEGCSA-N 250.317 3.610 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)CC1CCOCC1 330099176 CSCFEOBGAMWZNV-UHFFFAOYSA-N 299.374 3.790 30 20 CHED CCC(CC)[C@@H]1C[C@H](/N=C(/O)N[C@@H]2CCC[C@@H]2C)CCO1 330368849 APAZHSWGZZUAIF-XZDPQHSOSA-N 296.455 3.662 30 20 CHED CN(CCCOc1ccccc1)CC(C)(C)CCC#N 91899607 NUGLMWUOMBVLMG-UHFFFAOYSA-N 274.408 3.717 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CC(c2ccc(C)cc2)C1 436313420 WVFXAXPATQDFLN-RGVPCPSESA-N 285.431 3.812 30 20 CHED CC[C@@H](NCCc1cccc(C#N)c1)c1cccc(OC)c1 343629183 XLOGTZBKNRWXCT-LJQANCHMSA-N 294.398 3.850 30 20 CHED C=CCc1ccc(OCc2ccccc2C#N)c(OC)c1 247938771 WFIYTHPZYBRDOS-UHFFFAOYSA-N 279.339 3.874 30 20 CHED C=C(C)CCNc1cc(N2CCCC2=O)ccc1Cl 345417337 UZAXYJDUWYKHFM-UHFFFAOYSA-N 278.783 3.845 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H]2CC[C@@H](C)C[C@@H]2C)cc1 247409952 QBUDNZZUAJMMAS-LLDVTBCESA-N 286.419 3.892 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(NCCC)cc1 434511160 BTFJWDKBSBCQBD-QGZVFWFLSA-N 274.408 3.727 30 20 CHED C=CCS[C@H]1CCCN(c2cc(C)ccc2F)C1=O 349084854 ZDVCDTSGFQVCGI-AWEZNQCLSA-N 279.380 3.549 30 20 CHED Cc1ccc(-c2nnc([C@@H](C)N(C)C[C@@H](C)C#N)o2)cc1C 344344582 CZFBAPRLGOVPNQ-SMDDNHRTSA-N 298.390 3.506 30 20 CHED C=CCCC(=O)Nc1cnccc1-c1ccccc1 344224028 UVGHKYMEPHJXHM-UHFFFAOYSA-N 252.317 3.653 30 20 CHED CN(C[C@H]1CCCO[C@H]1c1ccccc1)CC1(CC#N)CC1 602764130 CJYOVLYDHJYTQK-MSOLQXFVSA-N 298.430 3.780 30 20 CHED C=CC1CCN(C(=O)[C@H](OC(C)C)c2ccccc2)CC1 340159486 MBVOQDIUCZNWOW-QGZVFWFLSA-N 287.403 3.577 30 20 CHED C=C(C)COc1c(C(C)=O)cccc1C(F)(F)F 439267447 RXUMAZMVGPYDQM-UHFFFAOYSA-N 258.239 3.863 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)c2ccccc2CC#N)c1 601220917 DPSXYHDZPCCAJT-HNNXBMFYSA-N 292.382 3.595 30 20 CHED C=CCN(CCC#N)Cc1ccc(-c2ccccc2F)o1 430088540 KDCKGPXXUIMZHV-UHFFFAOYSA-N 284.334 3.987 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCc1cccc(Cl)c1 602501511 AQXRRAFCFDPJCI-CYBMUJFWSA-N 292.810 3.529 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H]2CCC[C@H](C)C2)n1 522748151 SGVWZUZXPXWTPT-JOYOIKCWSA-N 261.394 3.636 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 528869385 BIFCZIMQPGZBFA-UHFFFAOYSA-N 299.374 3.614 30 20 CHED C=CCCC(=O)N(CCC)[C@H]1C[C@H](OCC)C12CCCC2 607094531 UOPXPNAYVPQPLV-HOTGVXAUSA-N 293.451 3.929 30 20 CHED C[C@H](CCC#N)CN(C)CC1(c2ccccc2)CC1 602627233 UUKKHDILOYOTGX-OAHLLOKOSA-N 256.393 3.590 30 20 CHED Cc1cccc(C)c1[C@H](C)NCCCSCC#N 355033465 BETUXDBCAOUUEO-AWEZNQCLSA-N 262.422 3.601 30 20 CHED C=CCC[C@H](NC(=O)Cc1cccnc1C)c1ccccc1 354205967 IHANNRKRBRYLPC-SFHVURJKSA-N 294.398 3.756 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1CCCC[C@H]1C 602393186 RNAXQEXZZBKANL-IUODEOHRSA-N 288.366 3.817 30 20 CHED N#CC[C@@H](CC(=O)NCC(C1CC1)C1CC1)c1ccccc1 530286551 TZKACIRJXXOTRH-KRWDZBQOSA-N 296.414 3.626 30 20 CHED C=C(CC)CN[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 449733683 JHJAXCOXVDDZLJ-KBPBESRZSA-N 277.408 3.752 30 20 CHED COc1cc(CNCCc2c(C)cccc2C)ccc1C#N 440633984 GXTFOSIJNJZBRG-UHFFFAOYSA-N 294.398 3.516 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(C[S@@](C)=O)cc1 449322204 WVCLDXGJYSNQDI-MGPUTAFESA-N 293.476 3.790 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1 449438517 PXHRFYRJAMSZSQ-UKRRQHHQSA-N 272.392 3.808 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H](C)CCSCC 268197752 MBTNUYZLRATCOT-ZDUSSCGKSA-N 269.454 3.745 30 20 CHED C[C@@H]1C[C@@H](CCN[C@@H]2CCCc3cc(C#N)ccc32)CCO1 612421051 WBCOHIFCMVEMFV-ZRGWGRIASA-N 298.430 3.730 30 20 CHED C[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)CC(C)(C)C 610659923 MPFRCIMXMCAGDN-NEPJUHHUSA-N 252.402 3.503 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1C 618734207 RUXHDUJWQWECIX-SFHVURJKSA-N 290.366 3.592 30 20 CHED CC1CC(C#N)(C(=O)N2CCC[C@H](c3ccccc3)CC2)C1 531554586 RSVPVDMGSMSLRW-RMXPPQQLSA-N 296.414 3.723 30 20 CHED CCn1c(C(=O)N[C@](C)(C#N)CC(C)C)cc2ccccc21 534595982 BQZYFKVSMGZZHC-SFHVURJKSA-N 297.402 3.719 30 20 CHED C=CC[C@H]1N(Cc2cnccc2C)CCCC1(C)C 355140169 XPFZDCAFGKEETR-MRXNPFEDSA-N 258.409 3.957 30 20 CHED C=C(C)CCNC1CCN([C@@H]2CCCC[C@@H]2C)CC1 449471324 CBVATTFHMOUHLR-DOTOQJQBSA-N 264.457 3.585 30 20 CHED CC(C)(C#N)CNC(=O)CC1CCC(C(C)(C)C)CC1 611688850 LACMIXCRXKQNDJ-UHFFFAOYSA-N 278.440 3.895 30 20 CHED CC(C)(C#N)CNCc1ccc(-c2cccc(F)c2F)o1 616731795 OYFMUEOTVDSGGO-UHFFFAOYSA-N 290.313 3.864 30 20 CHED CC[C@H](C)n1ncc(NCc2ccc(OC)c(C#N)c2)c1C 359821443 WWCWMIVRZVYXDZ-LBPRGKRZSA-N 298.390 3.655 30 20 CHED CC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCCO1 613428013 RVQWKKXCEHUNCH-KGLIPLIRSA-N 287.407 3.620 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H](C)C(C)C)c1ccccc1 536085468 NHAPGTTYBJXSSE-LSDHHAIUSA-N 259.393 3.849 30 20 CHED C=CCc1cc(CN2C[C@H](C)C[C@@H]2CC)cc(OC)c1O 536670862 OHJLZADPGQYTRN-CJNGLKHVSA-N 289.419 3.750 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCC2(CCCCC2)C1)OCC 535172221 HREPOVBPXUBJEL-MRXNPFEDSA-N 293.451 3.931 30 20 CHED CC[C@H](NCCCOC1CCCC1)c1ccc(C#N)cc1 447531965 RPHHQXRWIHTVAI-SFHVURJKSA-N 286.419 3.948 30 20 CHED C=CCC1(NC(=O)CCOCc2ccccc2)CCCC1 619104211 JSVRXTNWTZLFJA-UHFFFAOYSA-N 287.403 3.598 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1C 538367951 SOCPKDBNIWZJHM-KKUMJFAQSA-N 266.429 3.951 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCCCC(C)(C)C1 358737284 QUIVPOQEGORUNQ-UHFFFAOYSA-N 279.428 3.538 30 20 CHED N#Cc1ccccc1COc1cc(Cl)ccc1F 536018604 RRUVMEUOZSHDQO-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1cc([C@H](Nc2cccc(C#N)n2)C2CC2)ccc1F 534630994 ZFQINEDNXXNWSA-QGZVFWFLSA-N 281.334 3.964 30 20 CHED Cc1cc(CNCc2ccc(C#N)c(Cl)c2)ccc1F 619748258 DYYYPUMWKZRQFF-UHFFFAOYSA-N 288.753 3.949 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2csc(C(C)C)n2)C1 617784489 SZNLSLIIQSCRMP-GFCCVEGCSA-N 278.421 3.695 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 613037818 HKNBIFUMKUOLKR-NXEZZACHSA-N 299.201 3.905 30 20 CHED Cc1ccc2cc(CNCC(C)(C)CC#N)ccc2n1 459660097 AWPAKEZCVRBBSP-UHFFFAOYSA-N 267.376 3.573 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)c2sccc2C#N)cc1 364025414 KHMSPOAXKWAVOJ-OAHLLOKOSA-N 296.395 3.906 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cccc(CC#N)c1 455915416 HQSAHMVGNQGCHC-UHFFFAOYSA-N 273.380 3.843 30 20 CHED CSC[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 360646706 JZJRJMMNITVUQR-LRDDRELGSA-N 274.433 3.667 30 20 CHED C[C@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)c1cccc(F)c1 274296146 DUSBJWYLYZKEBR-SJKOYZFVSA-N 290.382 3.764 30 20 CHED C[C@@H](C#N)CN(C)Cc1nc(C2CCCCC2)cs1 277870538 YNPUQTGLIRGURP-LBPRGKRZSA-N 277.437 3.782 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)Nc1cccc(CC#N)c1 455908035 QMSIQOWSVODZAO-GUYCJALGSA-N 285.391 3.843 30 20 CHED COc1cccc2c1OCC[C@H]2Nc1ccc(F)cc1C#N 361359513 ZFUAYESTKAHWNV-OAHLLOKOSA-N 298.317 3.642 30 20 CHED N#CCCCNC(=O)CCCc1ccc2ccccc2c1 273039435 OSPSZQSGEYXFHX-UHFFFAOYSA-N 280.371 3.582 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1CCC(C)(C)c2ccccc21 278321357 VOKRVXVFXGLLJH-HNNXBMFYSA-N 284.403 3.855 30 20 CHED C[C@H](NCCCC#N)[C@@H]1C[C@H]1c1ccc(Cl)s1 366013965 ZJMQDWWXECTGGV-GARJFASQSA-N 268.813 3.787 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@H]1CCOC2(CCC2)C1 450721445 XDNZWNNJSHERQI-LBPRGKRZSA-N 290.794 3.973 30 20 CHED COCC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C)o1 272551494 CZEMUNSONKSPGP-YOEHRIQHSA-N 298.386 3.888 30 20 CHED COC[C@H](c1ccc(Cl)cc1)N(C)CCCCC#N 278854908 FYDLFKQBCYULBH-OAHLLOKOSA-N 280.799 3.653 30 20 CHED C=CCOCCSc1ccc(C#N)c(C(F)(F)F)c1 549056433 BGAWIVYEOJTTHW-UHFFFAOYSA-N 287.306 3.872 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccc(C2CCC2)cc1 278896662 JJJCFSVNKITNDG-LBPRGKRZSA-N 271.364 3.720 30 20 CHED C=C1CCN(C(=O)[C@H](C)CCCc2ccccc2)CC1 271792118 JGZIGXQXJZSLRS-MRXNPFEDSA-N 271.404 3.824 30 20 CHED C=C(CC)CSCCOc1ccc(OC)cc1[N+](=O)[O-] 540193223 GIPUWLXGXKVSRS-UHFFFAOYSA-N 297.376 3.682 30 20 CHED N#CCCCN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 363837634 PZHMVOKWHSLLES-HUUCEWRRSA-N 262.784 3.869 30 20 CHED C=C(C)CNC(=O)N(CCC)[C@@H](C)c1ccccc1OC 275062591 ZVVBXVFMFWWHAT-AWEZNQCLSA-N 290.407 3.754 30 20 CHED CC[C@@H](CN(CC)C(=O)c1ccc(C#N)[nH]1)c1ccccc1 275068839 OZAZNADXMYBNCQ-AWEZNQCLSA-N 295.386 3.542 30 20 CHED CCN(C(=O)[C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 541004790 UODXXZQXXVPUMB-CQSZACIVSA-N 270.376 3.737 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cccc(C2CC2)c1 453357782 NWFOCQVHHKAHJA-CXAGYDPISA-N 259.393 3.542 30 20 CHED C=CCC1(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)CCC1 456349569 SRCAMOFYOBHLOM-HUUCEWRRSA-N 263.425 3.872 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(C2CCCCC2)C1 458747990 ZOVGGWZHIYHJKU-HNNXBMFYSA-N 264.413 3.563 30 20 CHED C=CCC[C@H](NC(=O)CC(C)(F)F)c1ccccc1 277372195 BSNFDNSXMLCGDW-ZDUSSCGKSA-N 267.319 3.855 30 20 CHED C=CCN(C(=O)[C@H](C)OCc1ccc(F)cc1)C(C)(C)C 622945737 QMLBBTBDIFBBLC-ZDUSSCGKSA-N 293.382 3.544 30 20 CHED CC(C)c1ccc(SCC(=O)N[C@@H](C#N)C(C)C)cc1 463828907 DACVTGVWXMFHMR-HNNXBMFYSA-N 290.432 3.566 30 20 CHED CC(C)(C#N)CCN1CC[C@@H](Cc2ccc(F)cc2)C1 540687253 HDEOMOYDAXUSOU-HNNXBMFYSA-N 274.383 3.630 30 20 CHED C=CCCC(C)(C)NC(=O)c1oc(C(C)C)nc1C 620857085 MUUAHKIRONFEFD-UHFFFAOYSA-N 264.369 3.581 30 20 CHED CC(C)c1ccc2occ(C(=O)NCCCC#N)c2c1 287956460 SNDCWJGXMXQCNB-UHFFFAOYSA-N 270.332 3.590 30 20 CHED C[C@H]1Oc2ccccc2[C@H]1Nc1snc(Cl)c1C#N 377177738 VXHKTKOHAHOAMN-HQJQHLMTSA-N 291.763 3.602 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCN2CCC[C@@H]2C1 377426649 OOZKPQGRZHVMHU-IAGOWNOFSA-N 294.483 3.870 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 282352821 PKQMAUXZQOSQBI-UHIISALHSA-N 293.208 3.792 30 20 CHED CCc1nc2ccccc2c(C(=O)N[C@H](CC)CC#N)c1C 283476803 PRIOFPRBCUXOHN-CYBMUJFWSA-N 295.386 3.528 30 20 CHED C=CCC[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccco1 285889398 ZXYSIWKXHFRQBZ-CABCVRRESA-N 288.391 3.772 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(F)c(F)cc1F 281540482 ZLMZIDPTKAECGE-MRVPVSSYSA-N 272.270 3.580 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 464534796 MOXZUVABAYPPLE-MNOVXSKESA-N 278.421 3.809 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCc2cc(OC)c(OC)cc21 556218114 PVEXWGJJKSKOBU-OAHLLOKOSA-N 289.419 3.883 30 20 CHED C=CCCN(C)[C@@H](C)C(=O)Nc1cccc2ccccc12 467306711 ZOWQJICSAADBGO-AWEZNQCLSA-N 282.387 3.675 30 20 CHED Cc1cccc(C[C@@H](NCc2cccc(C#N)c2)C2CC2)c1 553454454 GIEJUXQYMMGIES-HXUWFJFHSA-N 290.410 3.978 30 20 CHED C[C@@H](NC[C@@H]1COc2ccccc21)c1ccc(C#N)c(F)c1 290380427 RSIMXSMWCKQGSO-IUODEOHRSA-N 296.345 3.524 30 20 CHED CCc1ccc([C@@H]2CCCN(c3ncccc3C#N)C2)cc1 553723907 WKQSFEGMWYBEKY-GOSISDBHSA-N 291.398 3.900 30 20 CHED CO[C@@](C)(CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 384296848 GVSBZHRAQDYJAZ-BEFAXECRSA-N 294.398 3.771 30 20 CHED Cc1ccc(N(CCO[C@H](C)C#N)Cc2ccco2)cc1C 801932544 OXQVBTGQEOOZKH-MRXNPFEDSA-N 298.386 3.832 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1[nH]c(C)cc1C 473374884 VDECUFIVSDDYGL-UHFFFAOYSA-N 282.387 3.850 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 809776194 YJPSFRAOWWJZSR-JOYOIKCWSA-N 299.201 3.871 30 20 CHED C#C[C@H](C)NC(=O)Nc1cccc(Cl)c1SC(C)C 806299573 DEBVHWHLSYMLMR-JTQLQIEISA-N 296.823 3.984 30 20 CHED Cc1ccc(OC(=O)/C=C\c2ccccc2C#N)c(C)c1 800057987 MVILSLHNPIGGAU-NTMALXAHSA-N 277.323 3.794 30 20 CHED C=C(C)C[C@H](C)C(=O)NC12CC(c3ccccc3)(C1)C2 641697354 DGJUQANTFGPHPI-NNGSBXSVSA-N 269.388 3.579 30 20 CHED C[C@H]1CC[C@@H](C=NNc2ccc(C(F)(F)F)cn2)C1 800804899 LUHHHMVGRFNCSI-VHSXEESVSA-N 271.286 3.934 30 20 CHED CCCCCCCCCC(=O)N(C)C1(C(=O)O)CCCC1 386499908 AJZHRCJBHJWWTJ-UHFFFAOYSA-N 297.439 3.983 30 20 CHED C=C(CNC(=O)/C=C1/CC[C@H](C)C1)c1ccccc1 807798160 PMVYEXHJAHTVOQ-WZMONFQBSA-N 255.361 3.562 30 20 CHED C=CCCCCCCNC(=O)N(C)CCC(C)C 806003354 IIFKEOYBRUKQMU-UHFFFAOYSA-N 254.418 3.810 30 20 CHED C=CCC[C@H](CC)NC[C@H](O)c1cc(C)cc(C)c1 800992232 QBZYFRXAPMGPMU-IRXDYDNUSA-N 261.409 3.671 30 20 CHED CC/C=C(\C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 298945152 DYGBTDJODLNYFE-GUNGLEHYSA-N 270.376 3.824 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CC1(C)C 471924557 VMZJDPFDEABDCG-MRXNPFEDSA-N 286.419 3.820 30 20 CHED COc1cccc(/C=N/[C@@H](C)c2ccsc2)c1O 800790982 XZQVEEPDXQAWNR-CYANDVJASA-N 261.346 3.642 30 20 CHED N#Cc1cccc(OCCCNc2cc(F)ccc2F)c1 477582405 VXWLKVIVFUTQOO-UHFFFAOYSA-N 288.297 3.717 30 20 CHED C=CCOCCCN(CC)Cc1ccc(Cl)cc1 470725368 GGFPCWXRGVYSHO-UHFFFAOYSA-N 267.800 3.755 30 20 CHED CCN(Cc1cc2c(C)c(C)ccc2[nH]1)C[C@H](C)C#N 473142545 JJRVMNPSACDRKU-GFCCVEGCSA-N 269.392 3.766 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H]2CCCF)cc1 800967110 IFDBYYRZCUOXCF-JKSUJKDBSA-N 260.356 3.566 30 20 CHED CCC(Cc1ccc(Cl)cc1Cl)=NNc1nc[nH]n1 807995576 HYRSMWLHWMKDDI-UHFFFAOYSA-N 298.177 3.532 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 568354718 QJVHKRDZCYGUMY-BBRMVZONSA-N 288.366 3.899 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NOC/C=C\Cl 811668861 KQGMWJSEMYYVNV-VXNKSQPXSA-N 281.636 3.948 30 20 CHED CC(=O)c1c(Cl)cccc1N1CCC[C@H](CC#N)C1 641657823 XIIFSTLJOVEKHC-GFCCVEGCSA-N 276.767 3.673 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC[C@H](c3ccccc3)C2)nc1 814805595 FTIZTGOMGKHAOI-ZDUSSCGKSA-N 296.330 3.725 30 20 CHED CC(=NN=Cc1ccc(C2CCC2)cc1)c1cnccn1 814861332 MZZZXJPONSJXBB-UHFFFAOYSA-N 278.359 3.587 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCSc1ccccc1F 488841760 PXXRBMIVCOTQMZ-ZDUSSCGKSA-N 293.407 3.875 30 20 CHED C=C(C)CN(CC)[C@@H](C(=O)O)c1c(F)cccc1Cl 568061318 BYCWXGKGOMDHOX-CYBMUJFWSA-N 285.746 3.503 30 20 CHED C=CC[C@@H](C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811479776 LNZKCKRKCXDRAI-MRVPVSSYSA-N 289.162 3.956 30 20 CHED CC(=NOCC1CC1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 814243076 DOIZDDBSQAAOTA-NSHDSACASA-N 276.336 3.576 30 20 CHED C=C(C)[C@H](N[C@@H]1CCCOCC1)c1ccc(F)c(F)c1 480692318 ABJLRSDOHJFYAE-CJNGLKHVSA-N 281.346 3.741 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNC[C@H]1CCSC1 811662461 LTUCZYSBZCHFFV-GFCCVEGCSA-N 282.840 3.633 30 20 CHED N#CCCCC(=O)OCc1c(Cl)ccc2cccnc12 812615462 KUTPYDHZVBSBHA-UHFFFAOYSA-N 288.734 3.625 30 20 CHED CCOc1ccc(NN=C(C)Cc2ccncc2)cc1 814984853 WGTPCYYNXSKTFQ-UHFFFAOYSA-N 269.348 3.511 30 20 CHED N#Cc1ccc(NC(=O)C2(F)CCCCC2)cc1Cl 812827516 BAUBDSSEQDRJND-UHFFFAOYSA-N 280.730 3.823 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)NCC#Cc1ccccc1 487688956 MPIYDVJMNRFTNN-SFHVURJKSA-N 298.430 3.648 30 20 CHED CCN(Cc1c(F)cccc1F)c1ccc(C#N)c(C)n1 488069887 OBBYXVRYJJLLES-UHFFFAOYSA-N 287.313 3.566 30 20 CHED CC(=NOCc1ccc(F)cc1)c1ccccc1C#N 814903426 IUGYWDUXLPEUJN-UHFFFAOYSA-N 268.291 3.638 30 20 CHED CC(=NOC1CCC1)c1sccc1Br 812236649 PXWANHISIXAIPM-UHFFFAOYSA-N 274.183 3.804 30 20 CHED CCCCCC(C)(C)CNC(=O)c1ncc(C#N)cc1C 815776882 XGCFFQHWXXLFGG-UHFFFAOYSA-N 287.407 3.598 30 20 CHED Clc1ccc(C=NNc2nc(-c3ccccc3)no2)cc1 726739919 YJTBJADLUCPJSM-UHFFFAOYSA-N 298.733 3.836 30 20 CHED COc1ccc2c(c1)C(=NNc1ccccn1)CCCS2 814731905 OIGZQYVNGMDRNF-UHFFFAOYSA-N 299.399 3.792 30 20 CHED Cc1cccnc1NN=Cc1ncc(C(C)(C)C)s1 814912009 ZLNXBERJHQWXIE-UHFFFAOYSA-N 274.393 3.590 30 20 CHED CON=C(C)c1ccc(OCc2ccccc2C)cc1 727778040 XHNLSPNLZVMJCG-UHFFFAOYSA-N 269.344 3.944 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc2c(ccn2CCC)c1 491568135 OZNPPMHNKQLCBL-CYBMUJFWSA-N 283.375 3.537 30 20 CHED C[C@@H](NN=Cc1cc(F)c(F)c(F)c1)c1ccccc1 727969469 GUVAERJDRVNVDL-SNVBAGLBSA-N 278.277 3.789 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1cccc(C(C)C)c1 729072818 XNUCUHVCMWOJNU-ZDUSSCGKSA-N 262.349 3.697 30 20 CHED Cc1csc(NC(=O)/C=C\c2ccsc2)c1C#N 493268348 ZRDQLOZMMLXVFY-IHWYPQMZSA-N 274.370 3.642 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C2[C@@H]3CCCC[C@@H]23)cc1 573812689 BFUVBWBBXSPMIJ-ZACQAIPSSA-N 296.414 3.708 30 20 CHED Oc1nc2ccccc2cc1/C=N\Cc1cc(F)ccc1F 729641636 QPKUDWLAYPJTFC-JMIUGGIZSA-N 298.292 3.838 30 20 CHED CCc1oc2ccccc2c1C=NOCCSC 727490728 NDHBHIGGPJKOLW-UHFFFAOYSA-N 263.362 3.709 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)CCCc1cccnc1 822372708 ASRYXKAHTIQXRY-GJZGRUSLSA-N 274.408 3.511 30 20 CHED CCCCCCCCCN1C[C@@H](C)[C@H](CC(=O)O)C1 722607840 AYPFTTWZXISBEP-HUUCEWRRSA-N 269.429 3.780 30 20 CHED C[C@H]1CCN(c2ccc(Cl)cc2C#N)CC1(F)F 491571364 CMMMJOMXFBDPKT-VIFPVBQESA-N 270.710 3.693 30 20 CHED CCCC(=O)c1ncccc1NCC(C)(C)CCC#N 663913061 WAGJMGXKYLLYQO-UHFFFAOYSA-N 273.380 3.806 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1ccccc1Cl 497198278 JAVVDAIWTSYSBB-CYBMUJFWSA-N 280.799 3.536 30 20 CHED CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)C1CC1 728789795 IOYUPWYMTIABGN-UHFFFAOYSA-N 293.823 3.783 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1ccnc(OC)c1 584361208 HIVNYBSMCZVSJC-CQSZACIVSA-N 298.386 3.506 30 20 CHED CCC1(CC)CN(C(=O)CCCCCC#N)CCS1 588681395 GEECLMQNJMPVBR-UHFFFAOYSA-N 282.453 3.595 30 20 CHED N#C[C@H](NC(=O)CCCC1CC1)c1ccc(Cl)cc1 589789039 CMWZEHIXYLMVKJ-AWEZNQCLSA-N 276.767 3.601 30 20 CHED Cc1nc(SCC#Cc2cccc(Cl)c2)[nH]c1C 582858575 PHAXXYDUPBESHD-UHFFFAOYSA-N 276.792 3.824 30 20 CHED Cc1cncc(C(=O)/C=C\c2cc(F)cc(F)c2)c1 588476497 CVTJFXHSNVACKJ-IHWYPQMZSA-N 259.255 3.564 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)CC2 730146972 IYGCHKQNVBNJRL-LTKMBJGESA-N 296.326 3.715 30 20 CHED C=CCCC(=O)N(Cc1cccc(OC)c1)CC(C)C 588024340 SZHLMBXUMGQEEN-UHFFFAOYSA-N 275.392 3.646 30 20 CHED O=C(C1CCCCCC1)N(O)Cc1ccc(F)cc1 901376078 OSVLUBJAZFIQRX-UHFFFAOYSA-N 265.328 3.514 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ccc(-c2ccco2)cc1F 490494490 DBLWZBSNYNMCAA-JTQLQIEISA-N 287.294 3.509 30 20 CHED C=CC1CCN(C(=S)Nc2ccccc2CC)CC1 731942529 PFHLJJRMIIWBRJ-UHFFFAOYSA-N 274.433 3.844 30 20 CHED CC(C)C[C@H](C)OC(=O)N[C@@H](C)c1cccc(C#N)c1 830751448 WVGWNBNFRPVPCK-STQMWFEESA-N 274.364 3.780 30 20 CHED CCN(C(=O)CCCCCC#N)c1cccc(F)c1 588862534 DGWSEIGAVATOGR-UHFFFAOYSA-N 262.328 3.653 30 20 CHED COc1ccc(CNN=C(C)c2ccc(F)cc2C)cc1 731313808 MBFCDMHBRPVYDL-UHFFFAOYSA-N 286.350 3.657 30 20 CHED COC[C@H](S[C@H]1CC[C@H](C#N)C1)c1ccccc1 901661585 GUCSZBOWECUVDB-QEJZJMRPSA-N 261.390 3.800 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)CCCCCC#N 588156813 BTAZBSSOLLJTPY-INIZCTEOSA-N 270.376 3.573 30 20 CHED C=CC[C@H](NC(=O)NCc1cccc(C)c1)c1ccncc1 734656177 BXZCDCHOBXHOOJ-KRWDZBQOSA-N 295.386 3.507 30 20 CHED CCc1cnccc1C(C)=NN[C@H]1CCc2c(F)cccc21 835020206 KCMIXHFUIFWBAR-SFHVURJKSA-N 297.377 3.784 30 20 CHED CC(=NNc1ccncn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 835002242 SYSALBPYBHXSOQ-VHSXEESVSA-N 292.795 3.783 30 20 CHED COCCSCCCSc1ccc(C#N)c(C)c1 583994123 MPVTWANJDLHZBI-UHFFFAOYSA-N 281.446 3.729 30 20 CHED C[C@H]1CN(c2cc(C#N)ccn2)CC[C@@H]1c1ccccc1 583951778 QEVGXCRGPFKYNC-YOEHRIQHSA-N 277.371 3.583 30 20 CHED C=CCC1(C(=O)OCCCCC(C)(C)O)CCCC1 835435900 ZJTYZDVRKJPLSW-UHFFFAOYSA-N 268.397 3.607 30 20 CHED O=C(/C=C\c1ccc(OCC2CC2)cc1)c1cccnc1 588578404 YPLTVNIERRXAHW-YFHOEESVSA-N 279.339 3.767 30 20 CHED CCC(CC)NN=Cc1csc(-c2ccsc2)n1 734365230 VFONNTRNFGTOLH-UHFFFAOYSA-N 279.434 3.984 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cccc(Br)c1F 839037514 CRTHMMYOKQDXJB-SECBINFHSA-N 299.139 3.547 30 20 CHED CC1CC(C(=O)OCCCC#N)(c2cccc(Cl)c2)C1 835265546 RMWFLNNDXALFPX-UHFFFAOYSA-N 291.778 3.855 30 20 CHED N#CC1(COC(=O)/C=C\Sc2ccccc2)CCC1 588478004 QEHQAHTWFKIROH-YFHOEESVSA-N 273.357 3.529 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCc2ccc(F)cc21 730147209 NBQMZVNMGVOWDE-BFERYNQYSA-N 255.292 3.638 30 20 CHED CC#CCCCCOC(=O)c1scnc1C(C)C 835311879 YYDGNLDOMRJJBN-UHFFFAOYSA-N 265.378 3.617 30 20 CHED C=C(CNc1c(C#N)nnc2ccccc12)c1ccccc1 588840774 DYNLOWLGVVTDFN-UHFFFAOYSA-N 286.338 3.627 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ccc(C#N)cc1OC 581166927 ZCZFHQMWFXQURV-INIZCTEOSA-N 274.364 3.722 30 20 CHED CC(=NNc1ncccc1Cl)c1cc(F)c(F)c(F)c1 730434044 YPJDZMRSMWIUEW-UHFFFAOYSA-N 299.683 3.988 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCCCC#N 588750988 VZKAZAUUBKPBSW-UHFFFAOYSA-N 297.402 3.769 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N(C)CC(C)(C)C#N 584723502 QCCFJQSSBIIOAU-CQSZACIVSA-N 264.413 3.767 30 20 CHED CCCCCCCOC(=O)CC[C@@H]1CCCCO1 732380696 BFMPDKODHCYKSP-AWEZNQCLSA-N 256.386 3.849 30 20 CHED CC/C=C(\C)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 734082046 WPABXTREJPCTQS-HQAMWZJRSA-N 297.383 3.738 30 20 CHED CCCOc1cccc(C=NNc2cccc(C#N)c2)c1 917545638 YJSPDPHCZKOAHN-UHFFFAOYSA-N 279.343 3.793 30 20 CHED CCN(Cc1ccc(C)cc1)Cc1ccc(OCC#N)cc1 731212071 QRVBTSYDIAFXRI-UHFFFAOYSA-N 294.398 3.920 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H]1CCC[C@H]1c1ccccc1 839319274 OURIRQJFGLRHSR-IKGGRYGDSA-N 284.403 3.625 30 20 CHED CCN(C(=O)c1ccc(C)c(Cl)c1Cl)[C@H](C)C#N 598365846 ZWIWGDGPLUZCNR-SECBINFHSA-N 285.174 3.676 30 20 CHED C[C@@H](C#N)N(C(=O)c1cc(Cl)ccc1Cl)C1CC1 598122423 AVYNEXQFEKZZBS-QMMMGPOBSA-N 283.158 3.510 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 593480876 HCSAYEWUEZZVDD-AWEZNQCLSA-N 288.391 3.908 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)C#CC(C)(C)C)CCC2 837664946 CFDQWFSNBPOYPV-MRXNPFEDSA-N 269.388 3.538 30 20 CHED CCCCCCCCNc1cccc2c1C(=O)NC2 749261212 CFYLDHUJKBRGFZ-UHFFFAOYSA-N 260.381 3.702 30 20 CHED CC(C)C#CC(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 832759022 FQKCNYDNNCTMTP-GFCCVEGCSA-N 297.320 3.585 30 20 CHED CCOC(=O)c1ccc(S[C@@H]2CC[C@@H](C#N)C2)c(F)c1 592361227 ORWZMWXGBBMSAB-ZYHUDNBSSA-N 293.363 3.787 30 20 CHED CCCCCCCOc1cccc(C=Nn2cnnc2)c1 747603244 YTUCFUARGCWCIE-UHFFFAOYSA-N 286.379 3.510 30 20 CHED CCCON=C(C)[C@@H](C)c1ccc(OC)c(OC)c1 842550592 INSXKHPGUIQJPI-LLVKDONJSA-N 265.353 3.610 30 20 CHED C#CCOC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 917998752 OCLHCOPSMPYFOX-UTCJRWHESA-N 288.652 3.548 30 20 CHED O=C1/C(=C2\COc3ccc(F)cc32)CCc2cc(F)ccc21 747439378 DBZGZHSPYYUFMO-JQIJEIRASA-N 298.288 3.940 30 20 CHED CCC(=NN=C(C)c1cnccn1)c1cccc(Cl)c1 745203686 NLHUWFQJTQOLIP-UHFFFAOYSA-N 286.766 3.753 30 20 CHED Cc1cccc2c1C/C(=C/c1cnc3cccc(C)n13)C2=O 748997142 GIQXEZPLAZKYSK-ZROIWOOFSA-N 288.350 3.774 30 20 CHED Clc1cccc(C=NNc2nc3ccccc3[nH]2)c1 915915421 HIFCHOWBKVSDFM-UHFFFAOYSA-N 270.723 3.662 30 20 CHED C[C@@H]1C[C@@H]1C/N=C(/Nc1ccccc1)N1CCCCC1 849064123 ZTAAAKLCPFGIPI-HUUCEWRRSA-N 271.408 3.596 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(CC)ccc2O)cc1 673701526 IZIHTHPZOHGUJQ-UHFFFAOYSA-N 297.354 3.772 30 20 CHED N#CC[C@H]1CCCN(C/C=C\c2ccc(Cl)cc2)C1 595623474 QXVFVEDINJPIKR-PEXHTFQZSA-N 274.795 3.979 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)/C=C\Sc1ccccc1 749616085 UCEDHBNACLDHFU-ZBTGYSDGSA-N 288.416 3.737 30 20 CHED CCC[C@H](C)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940268 AKXNJNHABJBZRS-ONGXEEELSA-N 262.378 3.633 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)[C@H]1CCOC1 741759975 PUORPVAECHGPLA-JTQLQIEISA-N 272.270 3.530 30 20 CHED c1ccc2c(c1)CCC(=NNc1nc3ccccc3[nH]1)C2 745843357 GOFXOENNGNZHAN-UHFFFAOYSA-N 276.343 3.520 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2c(C)n[nH]c2C)CCCCC1 910068628 AJVAENQEBVUGQF-GFCCVEGCSA-N 289.423 3.730 30 20 CHED C=C[C@H](C)ONC(=O)c1ccc(C)c(Cl)c1Cl 846553777 FBNMEWHOYZAERN-QMMMGPOBSA-N 274.147 3.538 30 20 CHED CC(C)(C#N)CCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 590201718 LTHJKZYZPUXDOX-OAHLLOKOSA-N 292.810 3.733 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)Cc1ccc(C#N)cc1 590518040 JFAWSPPZOBIKEE-UHFFFAOYSA-N 298.773 3.726 30 20 CHED Clc1cccc(C#CCN2CCC[C@@H]2C2CC2)c1 676557777 VNXJWCQMZXLJMF-MRXNPFEDSA-N 259.780 3.566 30 20 CHED C#CCOc1ccccc1CNc1c(Cl)cccc1C#N 742408066 UFKKCGOEXDTFIK-UHFFFAOYSA-N 296.757 3.836 30 20 CHED Cc1cc(C#N)ccc1N[C@@H](C)c1cnn(C(C)C)c1 846748587 BMSSPESVAZOUSV-ZDUSSCGKSA-N 268.364 3.817 30 20 CHED N#CCC1(CNc2ccccc2N2C[C@H]3CC[C@H]2C3)CC1 594707374 KWECPRQWQSCNMN-GJZGRUSLSA-N 281.403 3.781 30 20 CHED CCCCC[C@H]1CCCCN1C[C@H](O)CC(C)(C)C#N 598626848 BVPWDKYYKZBHLP-JKSUJKDBSA-N 280.456 3.722 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C(=O)C#Cc1ccccc1 747407651 AESPQUZXFYUGBB-LJQANCHMSA-N 291.394 3.518 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 593393270 TZHKSOPECJGGHG-DGCLKSJQSA-N 299.399 3.510 30 20 CHED CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H](C#N)CC 593399896 UYTUTZJCPGRCDU-HNNXBMFYSA-N 290.382 3.894 30 20 CHED COc1ccc(CNN=Cc2ccc([C@H]3C[C@H]3C)o2)cc1 917547079 IKUMMOVMIBXHFH-WBMJQRKESA-N 284.359 3.535 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2cc(Cl)ccc2s1 597508015 OVPKZGUDRRJXLP-NSHDSACASA-N 292.791 3.977 30 20 CHED Cc1ccc(NN=C2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 743417445 JBWXUQWZTNWQEQ-ZFWWWQNUSA-N 258.365 3.598 30 20 CHED CC#CCOC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 744765013 ZPIDQOLVJJQVKN-UHFFFAOYSA-N 282.126 3.655 30 20 CHED C#C[C@@H](CC)NC(=O)c1cc(C)n(C2CCCCC2)c1C 754379142 JBSZXSKPHIRTDU-HNNXBMFYSA-N 286.419 3.752 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1cc2ccc(C)cc2o1 754830026 OTVWATRYMYTHEY-FPLPWBNLSA-N 294.354 3.933 30 20 CHED C#CCOc1cc(F)ccc1NCCCCC(F)(F)F 751560105 HCBYVNQLZSYHBS-UHFFFAOYSA-N 289.272 3.982 30 20 CHED C[C@@H](NN=C1CCOc2ccccc21)c1ccccc1 920385976 MIWOODPKSWIIHV-CYBMUJFWSA-N 266.344 3.524 30 20 CHED C#C[C@@](C)(CC)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 854696964 QXBTZZSTTYKDLJ-ZFWWWQNUSA-N 297.320 3.641 30 20 CHED C#CCCOC(=O)N1CCCc2c(Cl)ccc(C)c21 859186043 XTZIGQLOSYGBRS-UHFFFAOYSA-N 277.751 3.561 30 20 CHED CO[C@H](C=NNc1ccc(Cl)c(Cl)c1)C1CC1 853287306 JBQBBEFLIPISRC-GFCCVEGCSA-N 273.163 3.816 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C(/C)c1cccc(Cl)c1 750003672 JRIGNXXTZJZNHR-UCQJPZFISA-N 263.768 3.824 30 20 CHED Cc1ccc2c(c1)CC[C@H]2/N=C/c1ccccc1O 920178152 OONCWBXYWBVLMI-YCPFAOKUSA-N 251.329 3.807 30 20 CHED CC1CC(C#N)(C(=O)OCCCc2ccccc2Cl)C1 750808265 VQYOGMJTLRYGHD-UHFFFAOYSA-N 291.778 3.756 30 20 CHED Cc1ccc(F)c(C(=O)OCc2ccc(F)c(C#N)c2)c1 758945027 IISARRBDSJJHDO-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C[C@H](c1ccccc1)N(CCC#N)Cc1ccccc1O 757276921 OYACSJLGKBGHRJ-OAHLLOKOSA-N 280.371 3.869 30 20 CHED CC(C)(C)C#CC(=O)NCc1cc(Cl)cc(Cl)c1 855150958 GNULZOCYGKRRJW-UHFFFAOYSA-N 284.186 3.659 30 20 CHED CCc1c(C)sc(NC(=O)C(C)(C)SC)c1C#N 857583626 SNCHZBRUTRZEGY-UHFFFAOYSA-N 282.434 3.571 30 20 CHED C#Cc1cccc(NC(=S)NCC2(CCC)CCC2)c1 758445591 SWOROIMYJWETRD-UHFFFAOYSA-N 286.444 3.925 30 20 CHED N#C[C@@H](C(=O)/C=C/c1cccnc1)c1ccc2ccccc2n1 759188152 RTFBCHKTSJWGKZ-OJXHRBAXSA-N 299.333 3.519 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(O)c(C)c1 750938173 DAEICCHKBKIRRO-UHFFFAOYSA-N 272.323 3.984 30 20 CHED CCO[C@H]1CC(=NO[C@@H]2CCCCO2)C12CCCCC2 755814275 LTBNBLFGNNSXNY-LSDHHAIUSA-N 281.396 3.645 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1nc(C)c(-c2ccccc2)s1 766854313 HNCIRODMKQTPAS-LLVKDONJSA-N 299.399 3.604 30 20 CHED Cc1ccc(CC(=O)N(CCC#N)CC(C)C)c(Cl)c1 762103407 QRZPQXQZMFJBER-UHFFFAOYSA-N 292.810 3.589 30 20 CHED C[C@H](OC(=O)C(C)(C)c1cccnc1)c1cccc(C#N)c1 760204542 LSCBMVMRNARNMY-ZDUSSCGKSA-N 294.354 3.535 30 20 CHED C=CCN(Cc1cccc(OC(C)(C)C)n1)C(C)C 768713030 HTMDZIPJPJKVIW-UHFFFAOYSA-N 262.397 3.655 30 20 CHED C#CCCc1noc([C@H](C)Oc2cc(C)ccc2Cl)n1 762000384 DIFOWYSWVYAFIB-NSHDSACASA-N 290.750 3.737 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)O[C@@H](C#N)C1CCCCC1 769184253 QRHWJORPAUQOHC-YUELXQCFSA-N 263.381 3.828 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2cc(C#N)cc(Cl)n2)C1 768381572 JKOIFYPQMPQJFW-GHMZBOCLSA-N 276.771 3.831 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc([C@H]2C[C@@H]2C)o1 761884300 DDKXGPGAAVTFRA-GWCFXTLKSA-N 288.322 3.997 30 20 CHED CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCC1(C#N)CCC1 768077675 FYCKRXJPNBLTHO-KKUMJFAQSA-N 293.407 3.597 30 20 CHED COCC(=NNc1c(F)cccc1Cl)C(C)C 769829003 LDEHWBHHAPFERB-UHFFFAOYSA-N 258.724 3.549 30 20 CHED CCCCCCC[S@](=O)c1cccc(OC)c1 764554856 YKSZUBCZTSUQNS-KRWDZBQOSA-N 254.395 3.773 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C)CC(F)(F)F)cc1 768273240 XYUWNDSXFPNOKW-VXGBXAGGSA-N 285.309 3.690 30 20 CHED C#CCCc1noc(COc2cc(Cl)cc(Cl)c2)n1 761999789 VRJWJWNNNHXJSV-UHFFFAOYSA-N 297.141 3.521 30 20 CHED C=CCN(C(=O)NCC1(CC)CCCC1)C(C)C 761780133 ZOBGJHSQCJZUJN-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C#CCCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 766896393 NKRIJKCDQRVDFW-XJKSGUPXSA-N 257.377 3.781 30 20 CHED Cc1nc(N[C@@H]2CCCc3cnn(C(C)C)c32)ccc1C#N 1117711263 UCRSUSDZOXTVBC-OAHLLOKOSA-N 295.390 3.529 30 20 CHED Cc1sc(CNCC2(CC#N)CC2)cc1Br 873120056 SPWBUHPWAJNVNX-UHFFFAOYSA-N 299.237 3.603 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccccc1N(C)C1CCCC1 775521456 OPSUKDNZYHTIQO-UHFFFAOYSA-N 299.418 3.599 30 20 CHED Fc1ccc(Cl)cc1NN=C1CCC12CCOCC2 872418363 MLVKTVZKXRUWOI-UHFFFAOYSA-N 282.746 3.838 30 20 CHED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccnc(Cl)c1 779461130 WDSXGOQNEXOBIP-HNQUOIGGSA-N 294.137 3.990 30 20 CHED C=CCCCCNC(=O)/C=C/c1ccc2[nH]ccc2c1 770082742 RCTVJEVJIBVEJD-VQHVLOKHSA-N 268.360 3.654 30 20 CHED C=C1CC(c2noc([C@H](C)c3ccc(F)c(F)c3)n2)C1 1119455161 SFSNWIFHHTVCGN-SECBINFHSA-N 276.286 3.933 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)o1 1118371165 SYNKULVWXGVYEX-LBPRGKRZSA-N 281.359 3.945 30 20 CHED Cc1ccc(CC(=O)[C@H](C#N)c2ccc3ccccc3n2)o1 775234987 RCIVEIKSPGJBKU-OAHLLOKOSA-N 290.322 3.555 30 20 CHED C#CCCCCCC(=O)N(C)c1cc(F)ccc1F 779891127 VRTBWYUFEUYFMM-UHFFFAOYSA-N 265.303 3.511 30 20 CHED N#Cc1csc(CNCCCCOc2ccccc2)c1 1116481975 AQWNLWUWVHYZPG-UHFFFAOYSA-N 286.400 3.569 30 20 CHED COc1cc(/C=C\C(=O)c2sccc2O)ccc1C 773144072 WBBBOQFNKYNOKB-WAYWQWQTSA-N 274.341 3.667 30 20 CHED C#CCCCCCC(=O)Nc1c(C)cc(C)nc1C 779770524 FOXIZMPZHJSSOY-UHFFFAOYSA-N 258.365 3.529 30 20 CHED C[C@H](C#N)COC(=O)c1sccc1-c1ccccc1 770945403 VKXFGQZLKZJQPC-LLVKDONJSA-N 271.341 3.732 30 20 CHED CCO[C@H]1CC(=NOC2CCCC2)C12CCCC2 774601302 BOOHHWSUVOBKKT-AWEZNQCLSA-N 251.370 3.671 30 20 CHED C=CCC[C@H](NC(=O)OCC(F)(F)F)c1ccccc1 771910139 SQOCKKYTOFMJQL-LBPRGKRZSA-N 287.281 3.982 30 20 CHED C#CCCCCCC(=O)N(C)c1ccccc1SC 779978072 PQNUNHVCVBCHHW-UHFFFAOYSA-N 275.417 3.955 30 20 CHED COc1cccc(F)c1C(C)=NOC1CCCC1 774601377 CCIZYNWYVQATIE-UHFFFAOYSA-N 251.301 3.518 30 20 CHED N#Cc1ccc(CNC(=O)CCC2CCCCCC2)cc1 1126328633 NHGGGOUHPXAGFU-UHFFFAOYSA-N 284.403 3.925 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1nnc(-c2ccccc2)n1C 783828676 VZOGLKPPUPTKAO-HIFRSBDPSA-N 297.406 3.706 30 20 CHED COc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2C)cc1C 787186438 BMUOFDYVSBDHTD-VURMDHGXSA-N 298.386 3.986 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 889986528 PKLPXTBRLATATE-GFCCVEGCSA-N 283.371 3.696 30 20 CHED N#Cc1cc(Cl)nc(NCC2(c3ccccn3)CCC2)c1 1120847799 ALDNBGSIGPPOQB-UHFFFAOYSA-N 298.777 3.535 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccnc2ccccc12 782143187 MIFXRLOYBVUNBP-UHFFFAOYSA-N 282.343 3.722 30 20 CHED N#CC[C@@H](OC(=O)CCc1ccccc1F)c1ccco1 1123371108 YTYAXAIHFOLNQU-OAHLLOKOSA-N 287.290 3.549 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CC(F)(F)C(F)(F)F 1120733432 NLOQUYFNSYQOCQ-VIFPVBQESA-N 285.256 3.531 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc2c(cc1Cl)OCCO2 887830677 RGVKNCJLLPHPEN-UHFFFAOYSA-N 295.766 3.652 30 20 CHED C#CCC1(C(=O)Nc2cnn([C@H](C)C3CC3)c2)CCCCC1 788249082 MTNAYORVJOHCRL-CQSZACIVSA-N 299.418 3.766 30 20 CHED C=CCCN(C)C(=O)/C=C(\CC)c1ccc(C)cc1 786223045 JQKKVCOWSPZMJE-FYWRMAATSA-N 257.377 3.823 30 20 CHED O=C(/C=C/c1cnc(-c2ccco2)s1)c1cscn1 789146663 AWIQPTXRUPXYDR-ONEGZZNKSA-N 288.353 3.756 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc(F)c(Cl)c1 781132786 JHNGSRRUVYTOMA-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=CCN(Cc1ccc2nc(C)ccc2c1)C(C)C 783528909 CBQKCWSMCKYMJI-UHFFFAOYSA-N 254.377 3.940 30 20 CHED C#CCC1(C(=O)N2CCC[C@H](C)CC2)CCCCC1 788179883 XFTKVZOSZCXGPF-HNNXBMFYSA-N 261.409 3.609 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCO[C@@H](c3cccs3)C2)c1 894100673 JVOUSASOGZNFGQ-TZMCWYRMSA-N 299.399 3.655 30 20 CHED CC[C@H](C#N)OC(=O)C(c1ccccc1)c1ccccc1 781131233 FXRVSFHFJJNWBV-MRXNPFEDSA-N 279.339 3.664 30 20 CHED CCN(C(=O)C#Cc1ccccc1)c1ccc2[nH]ccc2c1 788552019 WRHYPYSEUNYASR-UHFFFAOYSA-N 288.350 3.573 30 20 CHED COc1ccc(O)c(C=Nc2cc(OC)c(C)cc2C)c1 794847643 JAWGUISSRKCATQ-UHFFFAOYSA-N 285.343 3.777 30 20 CHED C=C1CCC(C(=O)N2CCc3cccc(Cl)c3C2)CC1 891522693 UZZUWMKDGMEDPR-UHFFFAOYSA-N 289.806 3.971 30 20 CHED C=C1CC(c2noc(-c3cc4nc(C)ccc4o3)n2)C1 896882259 SYYOXQDNBCLRMU-UHFFFAOYSA-N 267.288 3.620 30 20 CHED CCc1cc(C#N)ccc1OCc1cnc(Cl)s1 799588295 RCFDSJQMZUUJSQ-UHFFFAOYSA-N 278.764 3.810 30 20 CHED Cc1nc(C#N)c(NN=C[C@@H](c2ccccc2)C(C)C)o1 794495162 OVTIZRBOEHUXMG-CQSZACIVSA-N 282.347 3.692 30 20 CHED CCc1noc(C2CCC(=NN[C@@H](C)C(C)(C)C)CC2)n1 793114706 MXIPWYYXYISUFR-PXYINDEMSA-N 292.427 3.670 30 20 CHED C=CCC[C@H](NCCc1cnc(C)s1)c1ccco1 796839387 OJSKGQUCAQCXRJ-AWEZNQCLSA-N 276.405 3.884 30 20 CHED C=CCCC(=O)O[C@H](c1nc2ccccc2o1)C(F)(F)F 798207137 FXESMRHBXQEKPF-GFCCVEGCSA-N 299.248 3.941 30 20 CHED Cc1ccc(C(=O)N(CC(C)C)CC(F)(F)F)cc1C#N 799309785 KYFXTVHKLIODGH-UHFFFAOYSA-N 298.308 3.527 30 20 CHED CCc1nc(C)c(C(C)=NNc2cccc(Cl)n2)s1 793174016 GKDHFMCVVNVZGD-UHFFFAOYSA-N 294.811 3.898 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1ccc(F)c(Cl)c1 796142947 UOIWIFOCLZGWKA-QMMMGPOBSA-N 293.681 3.862 30 20 CHED Clc1cccc(NN=Cc2cnc(C3CC3)s2)n1 793161003 GYIJXQYHHJIJDN-UHFFFAOYSA-N 278.768 3.515 30 20 CHED Cc1ccc(C(=O)N2CCCc3cccc(F)c32)cc1C#N 799302678 UUDUAXKRXSMXJY-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@](C)(CC)CCC 796326011 DFCSBXCFJMYCNE-RHSMWYFYSA-N 297.439 3.559 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1c(F)ccc(O)c1F 794538191 ODEJBEOKJXSNOT-CYBMUJFWSA-N 282.334 3.563 30 20 CHED CC(C)(C)CN(CCC#N)CCc1c(F)cccc1F 1307485762 NSDCISOZEYWNHI-UHFFFAOYSA-N 280.362 3.769 30 20 CHED N#Cc1cccc(OCCN2CCC(C3CCCC3)CC2)c1 1307505662 GWFSMDCZUHLEBJ-UHFFFAOYSA-N 298.430 3.839 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCC[C@@H](C(C)C)C2)n1 1162461111 SGAARDNEFKLKET-CHWSQXEVSA-N 272.396 3.537 30 20 CHED N#Cc1cc(F)ccc1NC(=O)CC1CCCCC1 135158829 DNJIYFANSJWLLH-UHFFFAOYSA-N 260.312 3.606 30 20 CHED C=CCN(C(=O)N[C@@H](c1ncc(C)s1)C1CC1)C(C)C 1318837725 OASMSQDSCMTBOL-CYBMUJFWSA-N 293.436 3.509 30 20 CHED COc1ccc(NN=Cc2ccc3c(c2)CCC3)cc1 1319403248 MIFFSLKNNUXUGA-UHFFFAOYSA-N 266.344 3.630 30 20 CHED C=C[C@H](COC)N[C@@H](CC)c1ccccc1OC(F)F 1324022887 SWGPHAFJZPNCLX-YPMHNXCESA-N 285.334 3.530 30 20 CHED CC(C)(C)c1ccc(CNc2cc(C#N)ccn2)cc1 553339182 BQPFNYNEJLPODJ-UHFFFAOYSA-N 265.360 3.863 30 20 CHED C=C(CC)CN1CCC[C@H](c2nc3ccccc3o2)C1 678624572 DFPHLZXXIMOWFW-AWEZNQCLSA-N 270.376 3.973 30 20 CHED Cc1cc(CSCc2ccc(F)cn2)ccc1C#N 1321393928 VGPKKVLHQILXEI-UHFFFAOYSA-N 272.348 3.834 30 20 CHED C[C@@H](CCC#N)N1CCC(c2nc3ccccc3o2)CC1 1325511019 LKZDFXXOPRDNIS-ZDUSSCGKSA-N 283.375 3.699 30 20 CHED C=CCC1(C(=O)N[C@H]2CC[C@@H](SC)C2)CCCCC1 1326481784 KPLREOBVEUKBSM-UONOGXRCSA-N 281.465 3.913 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC[C@H](C#N)CCC#N 1335351901 QZOUSLGQEIFHPR-RRFJBIMHSA-N 261.413 3.624 30 20 CHED CCCCCCCN1CCC[C@@H]1c1cn(C)nc1C 759430080 JRDUDYPUQSVLEF-MRXNPFEDSA-N 263.429 3.836 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](CCC)C(C)C)c1 764009693 MPIYRYNZQBKMPI-INIZCTEOSA-N 257.377 3.703 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCCC[C@@H]1SCC 1336390422 WCKDAMHTPXQOGQ-OLZOCXBDSA-N 255.427 3.523 30 20 CHED CSc1cccc(F)c1CNc1cc(C)c(C#N)cn1 1186406678 UBRGUFQHTMOWKU-UHFFFAOYSA-N 287.363 3.735 30 20 CHED Cc1ccc(NN=Cc2ccc(-c3cnn(C)c3)cc2)cc1 1339653169 SCZIKZMKKVQZFT-UHFFFAOYSA-N 290.370 3.842 30 20 CHED C=CCC1(CNC(=O)Cc2sc(C)nc2C)CCCC1 1332145891 MDXFRTQBKUGGKZ-UHFFFAOYSA-N 292.448 3.555 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)/C=C\c1ccc(Cl)nc1 1337487823 GZKWFACXPJOEEM-QQBNSCQMSA-N 290.794 3.705 30 20 CHED N#Cc1ccc(F)c(CNC2CCC(C(F)F)CC2)c1 799720462 OXYJDBBDWFXILL-UHFFFAOYSA-N 282.309 3.611 30 20 CHED C/C=C(/C=C/C(=O)OCc1ccc(C#N)s1)CC 1346542020 UVOXQRFRIBAMFD-GQHUZBHDSA-N 261.346 3.575 30 20 CHED C=C(CC)C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 1347138005 DUBMEOVOARIOFB-UHFFFAOYSA-N 294.757 3.585 30 20 CHED C=CCC[C@@H](c1ccccc1)c1nnc(COCC)o1 1346676846 VKOGWQIPEVEOPY-AWEZNQCLSA-N 272.348 3.704 30 20 CHED C=C[C@@H](C(=O)N1CC(C)(CC(F)(F)F)C1)c1ccccc1 1352281986 XGRCJTITSBIROA-CYBMUJFWSA-N 297.320 3.757 30 20 CHED N#C[C@H]1CCCN(c2cc3ccccc3c(Cl)n2)C1 1355331271 AHEZAONYCTVDTB-LLVKDONJSA-N 271.751 3.628 30 20 CHED N#C[C@H](Nc1ccc2occc(=O)c2c1)C1CCCCC1 1353988259 KKGPAPRASYFMHE-HNNXBMFYSA-N 282.343 3.677 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc2cc(OC)ccc2c1 1514692976 OIOLXAVZIRQGOZ-OAHLLOKOSA-N 283.327 3.697 30 20 CHED C=C(CC)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 1518956252 XHQCPJIQQBPRNA-UHFFFAOYSA-N 271.282 3.630 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 1290782544 OMCYWIVBEBMTGF-ZUZCIYMTSA-N 292.329 3.535 30 20 CHED C[C@@H]1CCc2c(C(=O)O[C@H]3CC[C@H](C#N)C3)csc2C1 1524711526 CXYYYHQGMWEGKR-WOPDTQHZSA-N 289.400 3.722 30 20 CHED Cc1ccc(N(C)C(=O)[C@H](CC#N)c2ccccc2)c(F)c1 1525447902 YTICWHUPGCOAEF-OAHLLOKOSA-N 296.345 3.794 30 20 CHED Cc1ccccc1COC(=O)N(C)Cc1ccc(C#N)cc1 1462807250 QXGVOVWIVLVALJ-UHFFFAOYSA-N 294.354 3.635 30 20 CHED CCc1ccc(F)cc1C(=O)N(C)c1ccc(C#N)cc1 1532302630 LWXQCCBZSXVJOG-UHFFFAOYSA-N 282.318 3.536 30 20 CHED Cc1cccc(NCc2ccc(C#N)cc2F)c1C 20055871 GJSPMQGESDLFAY-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N(C)c1cccc(F)c1C#N 1472735636 HHKBUGUTZLAZSS-CVEARBPZSA-N 290.382 3.727 30 20 CHED C=C(Br)COc1nc(C(C)(C)C)ccc1C#N 1473048573 SKRBRRBSAXWLKF-UHFFFAOYSA-N 295.180 3.538 30 20 CHED COc1ccc2c(c1)[C@H](Nc1ncc(C#N)cc1F)CCC2 1650930001 JQSMDMDRZJGXDG-MRXNPFEDSA-N 297.333 3.590 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(C(=O)O)cc1 1588798775 QXALKMMJZWPGDN-UHFFFAOYSA-N 289.375 3.641 30 20 CHED C=CC[C@@H]1CC[C@H](N[C@H](CCC(C)(C)C)C(=O)O)C1 1588458476 VRLRBOFUTCJIMS-HZSPNIEDSA-N 267.413 3.600 30 20 CHED C[C@@H]1CCCC[C@H]1CN1CCN(c2ccc(C#N)cc2)CC1 1654544170 ZTYHBVWCTVALOV-AEFFLSMTSA-N 297.446 3.507 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2csc(Cl)c2)CC1 1776162353 LLRHGHHPLFWHIC-UHFFFAOYSA-N 299.823 3.644 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCC[C@H](C)CCC)C1 1776156365 BLUPLDOUGDRWHC-NVXWUHKLSA-N 281.440 3.946 30 20 CHED CCc1ccc(C(=O)OCc2ccc(C#N)cc2F)cc1 11199254 HARCGSCOCCTFBH-UHFFFAOYSA-N 283.302 3.617 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(C#N)cs2)C1 286337437 LURXSXOUTUWCJC-IUODEOHRSA-N 296.395 3.843 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ncc(C#N)cc2Cl)n1 150942584 OMODLWFJTHMCTK-HNNXBMFYSA-N 298.777 3.652 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 161118695 ZMWHGHKVSABUOL-QWHCGFSZSA-N 284.186 3.789 30 20 CHED CC(C)c1ccc(-c2noc(CN(C)[C@H](C)CC#N)n2)cc1 161753404 WVDPXYKTMOTBFO-CYBMUJFWSA-N 298.390 3.594 30 20 CHED N#Cc1cccc(SCc2ccc([N+](=O)[O-])cc2F)c1 158692209 VMEGVPRKNGMWIL-UHFFFAOYSA-N 288.303 3.898 30 20 CHED N#Cc1cccc(Cl)c1N[C@@H]1CCO[C@H](C2CC2)C1 160349275 SLPDRGYIQLFKCY-OCCSQVGLSA-N 276.767 3.581 30 20 CHED CN(Cc1ccco1)c1ccc(C#N)cc1Br 168546548 XJWYNXBJVKRHOQ-UHFFFAOYSA-N 291.148 3.550 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H]1c1cccs1 151916883 CPEDUYAIUPGPGI-HNNXBMFYSA-N 298.411 3.965 30 20 CHED COCCOc1ccc(F)cc1NCCCC(C)(C)C#N 153772848 GRJXHCSDZYEDAE-UHFFFAOYSA-N 294.370 3.593 30 20 CHED C[C@@H]1CC[C@@H](Nc2cccc(OCC#N)c2)C[C@H]1C 251859173 PRPHPVLBVNRMRJ-UMVBOHGHSA-N 258.365 3.826 30 20 CHED N#Cc1csc(CN(Cc2ccccc2)C2CC2)c1 125436249 ZEOTWYCSSJZHCN-UHFFFAOYSA-N 268.385 3.784 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2C2CCCC2)c1Cl 236028559 CXNXFDFWEHWQEA-ZDUSSCGKSA-N 275.783 3.766 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](CC)c2ccccc2)c1 23359230 JUPXLCCDQQFUBR-KRWDZBQOSA-N 263.340 3.800 30 20 CHED Cc1ccccc1OCCCOc1ccccc1C#N 34674980 KQHSVKCZBQDKKP-UHFFFAOYSA-N 267.328 3.715 30 20 CHED Cc1cccc(CNc2cccc(OCC#N)c2)c1 37069489 LSOUDEFXVULVAO-UHFFFAOYSA-N 252.317 3.510 30 20 CHED CC(=O)Nc1ccccc1OCCCCC(C)(C)C#N 277502002 DQSXFROMDUYRPD-UHFFFAOYSA-N 274.364 3.744 30 20 CHED CN(C(=O)CCC1CCCCC1)c1ccc(C#N)cc1 61954815 YPTFZTMZVAKZNL-UHFFFAOYSA-N 270.376 3.882 30 20 CHED C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)CCS1 302756541 WACORQHSBHKJIW-JTQLQIEISA-N 266.797 3.543 30 20 CHED Cc1cc(C#N)ccc1CN1CCC2(CCC2)CC1 308744523 SQZOIQYPDOETLC-UHFFFAOYSA-N 254.377 3.633 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 608816107 SQRXZAVVVRNAER-JQWIXIFHSA-N 296.823 3.629 30 20 CHED C[C@H](Cc1ccc(O)cc1)Nc1cccc(CC#N)c1 313432971 ZIOMBWIKNIIHCN-CYBMUJFWSA-N 266.344 3.501 30 20 CHED N#CCOc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)cc1 81625161 XHRHDUKVYRBLPH-ZBFHGGJFSA-N 270.376 3.970 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1ncc(C#N)cc1Cl 359016367 FYPWPLNCSYGBSW-NWDGAFQWSA-N 281.812 3.693 30 20 CHED Cc1cc(N2CCC(C)(C)CC(C)(C)C2)c(C#N)cn1 699702673 JOJKKIRMCOGXFX-UHFFFAOYSA-N 271.408 3.914 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1scnc1Cl 919711296 FXECYTNSJKBMDB-UHFFFAOYSA-N 292.791 3.625 30 20 CHED CCCCCCCCOC(=O)c1ccc(F)cn1 751829522 XIWUSTICHSINSE-UHFFFAOYSA-N 253.317 3.738 30 20 CHED C=C(Cl)CN(Cc1ccccc1)CC1(O)CCCC1 762062556 UHDDEDBARAOHIB-UHFFFAOYSA-N 279.811 3.546 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 55638722 FXEYUENFGRUGPL-CYBMUJFWSA-N 294.354 3.988 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 26130980 WHNZTQAUOAGXOZ-UKRRQHHQSA-N 272.392 3.952 30 20 CHED C=CCOc1ccccc1CNCC(C)(C)CCC#N 174377808 BAOADIYJMGXERD-UHFFFAOYSA-N 272.392 3.671 30 20 CHED N#CCCN(Cc1ccc(F)cc1)C1CCCCC1 58016737 PBTOYWPQTNXCAG-UHFFFAOYSA-N 260.356 3.874 30 20 CHED Cc1cc(Cl)cc(C(=O)N(CC#N)c2ccccc2)c1 177694295 HYGZPJFCEMSYML-UHFFFAOYSA-N 284.746 3.819 30 20 CHED CCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 114873854 VWGZYSHESORNLN-GFCCVEGCSA-N 274.364 3.876 30 20 CHED CC(C)(NCc1cc(C#N)cs1)c1cccc(F)c1 177704105 OHFQJTWVOICQLE-UHFFFAOYSA-N 274.364 3.784 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1csc(C)n1 112183703 JEWUIJWUOXLJAA-UHFFFAOYSA-N 292.448 3.589 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc(OC)c1 62364448 ANLYASPEGSKYNV-UHFFFAOYSA-N 281.399 3.926 30 20 CHED C=C(C)CN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 247448541 JBZTZQJKNZXDRK-HUUCEWRRSA-N 263.381 3.524 30 20 CHED C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(C#N)cc1 26135333 PYWNUUZCYATVOT-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C=C(C)COC(=O)c1ccccc1C(=O)c1ccccc1 57983757 FQXRZVFDONHNMA-UHFFFAOYSA-N 280.323 3.651 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H](C)c2ccc(C#N)cc2)c1 302121821 UQDQAFFZJMIQEO-LBPRGKRZSA-N 289.338 3.806 30 20 CHED C=CCc1cc(CNc2ccnc(C)c2)cc(OC)c1OC 302597348 XQWBUUKSLLILHE-UHFFFAOYSA-N 298.386 3.748 30 20 CHED CCc1ccc(C(=O)/C=C/c2cc(C#N)cs2)o1 176680365 SECRFGFGSJYAHA-SNAWJCMRSA-N 257.314 3.671 30 20 CHED C=CC1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 110370073 BOHSRYZAQLBNSD-UHFFFAOYSA-N 289.806 3.796 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2cccc(OCC#N)c2)o1 37069544 DGQWZIUGRQFOQD-LRDDRELGSA-N 282.343 3.917 30 20 CHED C=CCC(CC=C)C(=O)Nc1c[nH]nc1-c1ccccc1 179747940 RQGPYQKJPPFDTB-UHFFFAOYSA-N 281.359 3.784 30 20 CHED Cc1cc(C)cc(N/C(N)=N/CCCNc2ccccc2)c1 303976423 KEMJKSCJWLALFH-UHFFFAOYSA-N 296.418 3.532 30 20 CHED CC(C)Oc1ccc(OCc2ccccc2C#N)cc1 303676904 LEUJAJQEKDJXKE-UHFFFAOYSA-N 267.328 3.924 30 20 CHED CCCCCc1ccc(Oc2ccc(C#N)nn2)cc1 301942156 VIYWGUBBSBJTBF-UHFFFAOYSA-N 267.332 3.873 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1nc2ccccc2n1CC 188311295 ZLZAMYLPIOLMCD-SCLBCKFNSA-N 299.418 3.836 30 20 CHED CC[C@@H](/C(O)=N/c1nc(C(F)(F)F)n[nH]1)c1ccccc1 72673311 JJYRVESFJUBUBF-SECBINFHSA-N 298.268 3.605 30 20 CHED C=CCC[C@H](N[C@H](C)c1ccc(NC(N)=O)cc1)C1CC1 121159656 DCVNWKMCYUHXNX-WBMJQRKESA-N 287.407 3.573 30 20 CHED N#CC1(C(=O)Nc2cccc(NC3CCCC3)c2)CCC1 77005574 GBQSXTXQODQGBR-UHFFFAOYSA-N 283.375 3.673 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1cccc(O)c1)C2=O 72031062 VJXFSRBWROTMOW-RIYZIHGNSA-N 280.323 3.668 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 37770693 CVRLYLKJQWPNIC-OAHLLOKOSA-N 280.371 3.748 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1CCCSCC#N 74991022 ZZUNEUHJDLXDSL-GOEBONIOSA-N 274.433 3.511 30 20 CHED C=CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 124686608 PHBGJDXHPWEXKC-CYBMUJFWSA-N 255.283 3.932 30 20 CHED C[C@@H]1c2cccn2CCN1Cc1ccc(C#N)cc1Cl 439446291 WMVXURPTMOYWHV-GFCCVEGCSA-N 285.778 3.590 30 20 CHED Cc1ccc(CCNc2ccccc2O[C@H](C)C#N)cc1 182549877 AKEMDIFBIIGLHH-OAHLLOKOSA-N 280.371 3.941 30 20 CHED C=CCCCCCN(C)CCOc1ccccc1F 606902283 VFURNJADBJGMTL-UHFFFAOYSA-N 265.372 3.883 30 20 CHED COc1cccc(CSCc2ccc(C#N)cc2C)n1 186085931 XIKCELJFRXNAMI-UHFFFAOYSA-N 284.384 3.704 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2scnc2c1 187913989 NSZIELXSZDLWEW-CQSZACIVSA-N 260.362 3.837 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C#N 77687504 PVOOJFSSVXXJGG-MFKMUULPSA-N 282.368 3.881 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 181041814 ABNWYFQTXGFAOP-CQSZACIVSA-N 260.381 3.582 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](CO)c1ccc(F)cc1 414288282 LHZPRVCYXAEHAZ-ZBFHGGJFSA-N 279.399 3.626 30 20 CHED CCCCC[C@@H](C)C/C(O)=N/S(=O)(=O)c1ccccc1 76755533 HWMLAWOYTUYOAY-CYBMUJFWSA-N 297.420 3.938 30 20 CHED C=CC[C@H](C(=O)NCCCOCC(C)C)c1ccccc1 186278729 PHHLEWLEVWNBCX-KRWDZBQOSA-N 289.419 3.525 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cccc(CSC)c1 187401260 SIUDAOBIUMXBGC-UHFFFAOYSA-N 292.448 3.657 30 20 CHED N#CC1(c2ccccc2)CCC(NC[C@H]2CC23CC3)CC1 417330058 AFOWVJKHAZTYTO-LRYGQEGESA-N 280.415 3.780 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccccc1C#N 130080212 ROPQHDBMZIQORY-QGZVFWFLSA-N 265.360 3.536 30 20 CHED N#CCc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1 174983125 CHWQVKFRCVOTER-QGZVFWFLSA-N 266.319 3.991 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)C(C)C 413822890 LTHCJYSQNNTUBU-RDJZCZTQSA-N 288.435 3.860 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)c(OCC)c2)CCC1 188918955 QCUBCRTXMQMMPA-UHFFFAOYSA-N 289.375 3.779 30 20 CHED CC#CCCCC(=O)Nc1cc(F)c(SC)c(F)c1 186138463 DDSRYOQWNWDXQC-UHFFFAOYSA-N 283.343 3.819 30 20 CHED O=C1/C(=C/c2ccsc2)CCOc2cc(F)ccc21 180456899 UWUVJWXIJAWQMK-YRNVUSSQSA-N 274.316 3.936 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1scnc1C(C)C 410558999 QMZWTQQNLXCLOI-UHFFFAOYSA-N 293.436 3.859 30 20 CHED Cc1cccc(NCc2cccc(OCCCC#N)c2)n1 131216914 HIOGORLTQKXFCM-UHFFFAOYSA-N 281.359 3.685 30 20 CHED N#Cc1ccc(CN(C[C@H]2CC=CCC2)C2CC2)cc1 506545057 IDKMCTZZIYAWGX-INIZCTEOSA-N 266.388 3.879 30 20 CHED C=CCSc1nnc(-c2c(C)cc(C)cc2C)o1 75456853 QPBCIQAVXAJXIU-UHFFFAOYSA-N 260.362 3.940 30 20 CHED C=CCn1c(N2CCC[C@](C)(CC)C2)nnc1C(C)(C)C 508883947 DLPKELWEGNZLEX-KRWDZBQOSA-N 290.455 3.778 30 20 CHED CCn1nccc1N/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329224097 ZCCFBAVYLOOWCB-BFHYXJOUSA-N 290.411 3.588 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412276041 XZZCOGCHIOODBQ-OKZBNKHCSA-N 296.414 3.556 30 20 CHED C[C@H]1C[C@@]1(NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 410361950 WTNMTTZEZIFHGA-ZBEGNZNMSA-N 290.794 3.631 30 20 CHED N#Cc1ccc(NC(=O)CC2CCCC2)c(Cl)c1 225785053 LNUZILDOICVBTK-UHFFFAOYSA-N 262.740 3.730 30 20 CHED Cc1cccc(C)c1CCN[C@@H]1CCC[C@@H](C#N)C1 193026201 CZALTDOVUCTMNA-HZPDHXFCSA-N 256.393 3.518 30 20 CHED O=C1CC[C@H](/C(O)=N/C2CCC(F)(F)CC2)n2cccc21 329881807 OZVAJKDPDNOJTJ-GFCCVEGCSA-N 296.317 3.540 30 20 CHED C=CCCc1csc(CCCNC(=O)OC(C)(C)C)n1 194542802 DBWBZQPHHXXECF-UHFFFAOYSA-N 296.436 3.719 30 20 CHED C[C@H](NCc1ccc2c(c1)CCCN2)c1ccc(C#N)cc1 423454765 ZNUNPESMEOOFRJ-AWEZNQCLSA-N 291.398 3.767 30 20 CHED CC(C)CC[C@@H](NCc1ccc(C#N)s1)C1CC1 421889391 UOEHTZRDVWJOJU-OAHLLOKOSA-N 262.422 3.924 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)CCCOCc1ccccc1 424835471 NATAAIRHRFOUIP-UHFFFAOYSA-N 289.419 3.654 30 20 CHED CC(=O)CCc1ccc(OCCC(C)(C)C#N)cc1 87592213 AWSYVRCSYZLQCS-UHFFFAOYSA-N 259.349 3.527 30 20 CHED COc1ccc2cc(CN3CCC(CC#N)CC3)ccc2c1 518242416 JEMNXMFSOIUBIE-UHFFFAOYSA-N 294.398 3.974 30 20 CHED CCCc1csc(CNc2cccc(C#N)c2C)n1 426362646 BMYCQYDEMQKROP-UHFFFAOYSA-N 271.389 3.888 30 20 CHED N#CCC[C@@H](NCc1cccc(F)c1)c1ccccc1 130537022 NFGCPQAEOZKUET-QGZVFWFLSA-N 268.335 3.960 30 20 CHED Cc1coc(Sc2ccc(C#N)c(Br)c2)n1 228254557 GXUITWLQQISFSJ-UHFFFAOYSA-N 295.161 3.768 30 20 CHED CCCCCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425133434 SOVIXSQOMOVFPC-ZDUSSCGKSA-N 258.365 3.658 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(C(=O)CCCC#N)C1 425112424 CZOBAPDLMLGNEL-OAHLLOKOSA-N 270.376 3.680 30 20 CHED CCOc1cc(C#N)ccc1OCC#Cc1ccc(F)cc1 135269215 PIXJGPADFCFCOW-UHFFFAOYSA-N 295.313 3.527 30 20 CHED Cc1cc(Cl)c(C(=O)NCC#Cc2ccccc2)cc1C 510174952 ZKSHGSQFTQJPOR-UHFFFAOYSA-N 297.785 3.738 30 20 CHED C=CC1CCN(C(=O)NCC[C@H]2CCCC[C@H]2C)CC1 512111751 BQJSGONPAJPCIA-GDBMZVCRSA-N 278.440 3.810 30 20 CHED CCC[C@@H](C)c1cc(NC(=O)Nc2ccc(C#N)cc2)[nH]n1 192197901 PSDXTBQAWXDXKG-LLVKDONJSA-N 297.362 3.829 30 20 CHED CC(C)(C)CCCC(=O)N1CCc2ccc(C#N)cc21 339832687 YEIIXZYTDNRMDD-UHFFFAOYSA-N 270.376 3.664 30 20 CHED CCC1(C)CCN(c2nccc(C#N)c2Cl)CC1 232916269 FWZIRTKYUUUOQB-UHFFFAOYSA-N 263.772 3.623 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 424712568 RDOGXXDKBORKSW-LBPRGKRZSA-N 290.363 3.683 30 20 CHED CC[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1F 429791394 ATJSSJPQMNLCAI-AWEZNQCLSA-N 264.319 3.699 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(C)c2ccccc2C#N)C1 337834976 CSPTVVXSNUIPPW-ZIAGYGMSSA-N 270.376 3.737 30 20 CHED CC[C@@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 429781765 FQUSVJCYAOIUFP-GDBMZVCRSA-N 261.796 3.860 30 20 CHED COc1nn(C)cc1N=C(O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 330018780 UBZFEBCIFOCEOC-RWMBFGLXSA-N 291.395 3.623 30 20 CHED C=CCCN[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 338565567 YRCHRNSJVJFNLN-CQSZACIVSA-N 295.386 3.561 30 20 CHED N#Cc1csc(C(=O)Nc2cccc(F)c2Cl)c1 335995107 KGOHQOBGUUSQJR-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)CCCc1ccccc1 337855546 ZAMAKJBOQKAKNZ-UHFFFAOYSA-N 292.382 3.572 30 20 CHED CCN(C(=O)[C@H](C)C#N)C(c1ccccc1)c1ccccc1 430988001 IIINEFDMAMICMW-OAHLLOKOSA-N 292.382 3.784 30 20 CHED Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1C 435035017 FUQYEPIPYGBKBH-UHFFFAOYSA-N 290.366 3.845 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1sccc1C#N 518876683 UUHOXKNZTKIOIR-WDEREUQCSA-N 262.378 3.775 30 20 CHED CC[C@@H](/N=C(/O)c1c(C)noc1C(C)C)C(C)C 330612133 PWOBQLSQOLFTQW-LLVKDONJSA-N 252.358 3.846 30 20 CHED N#Cc1c(F)cccc1OC/C=C/c1ccccc1 93406785 BUYFEUYGDHDMTD-VMPITWQZSA-N 253.276 3.790 30 20 CHED C=C[C@@H](CC(=O)Nc1ncccc1CC)c1ccccc1 90130272 XSPWXTXTUCPVTQ-HNNXBMFYSA-N 280.371 3.942 30 20 CHED CC(C)(C)[C@H]1CCCN1Cc1cn2ccccc2c1C#N 524757391 ZIOPMEWAIOFYNE-QGZVFWFLSA-N 281.403 3.821 30 20 CHED CO[C@H](C)CSc1ccc(C#N)c(C(F)(F)F)c1 181066021 VUJUFBCVUXBDLI-MRVPVSSYSA-N 275.295 3.704 30 20 CHED N#Cc1ccc(Sc2ccc(C#N)cc2[N+](=O)[O-])c(F)c1 342769469 RYFBFRHXBOUMET-UHFFFAOYSA-N 299.286 3.628 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1F 438497685 WWCKOOCYVZLQQJ-CYBMUJFWSA-N 288.288 3.764 30 20 CHED N#CC1(CSc2nccn2-c2cccc(Cl)c2)CC1 347018237 FDPYOZGYERSNPB-UHFFFAOYSA-N 289.791 3.922 30 20 CHED CC(C)(C)C[C@@H](O)C/N=C\c1c(O)ccc2ccccc12 255472116 YIZDXVDVILNXDN-VCRXTVNUSA-N 285.387 3.761 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1cccc(OC(F)F)c1 255024206 HFZMNPPWCKXSAO-SREVYHEPSA-N 293.269 3.789 30 20 CHED CC(C)CO[C@@H]1C[C@@H](NCC(C)(C)CCC#N)C1(C)C 344467584 YTLWJMYVBNJVFP-HUUCEWRRSA-N 280.456 3.746 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCCCC(C)(C)C 602552663 IBDNGWCUEZCNPU-AWEZNQCLSA-N 266.429 3.501 30 20 CHED CCCc1nc(C)c(CNc2ccc(C#N)cc2COC)o1 603386069 GTNADDXRWDHXCD-UHFFFAOYSA-N 299.374 3.566 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)CCC(C)C 448906556 AIEHQVPKVOCIOA-GJZGRUSLSA-N 264.413 3.601 30 20 CHED Cc1ncc(/C=C\C(=O)O[C@@H](C)c2ccc(C#N)cc2)s1 255585001 GSSQBWALPPNGGZ-TVRMLOFPSA-N 298.367 3.641 30 20 CHED C=CCCCNC(=O)N(C)[C@H](C)c1cc(C)ccc1C 448033931 FLOXUCBQKDPTNZ-OAHLLOKOSA-N 274.408 3.972 30 20 CHED C=CCCCS[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C 609804747 DWKRVQZJXMSPKE-MCIONIFRSA-N 269.454 3.769 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C#N)s2)cc(C)c1O 255613258 GSXFDHXWKGBXCN-HYXAFXHYSA-N 283.352 3.838 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C2CC2)c(C)c1 354898538 JPJJHJHYTHVHDC-MRXNPFEDSA-N 256.349 3.751 30 20 CHED CC1(C)CN(C(=O)c2ccccc2CC#N)CC(C)(C)C1 601453875 YAFUUHUNLDERKE-UHFFFAOYSA-N 284.403 3.651 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(F)cc2F)CCC1 357968812 PECLXCZOKCRERK-UHFFFAOYSA-N 279.330 3.670 30 20 CHED CCc1nocc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 351759793 LQQKMBZQRVCGSG-FUHWJXTLSA-N 295.386 3.509 30 20 CHED COc1cc(C#N)ccc1CN(C)Cc1ccc(F)c(C)c1 444747297 YNXJLMWTDYJJSE-UHFFFAOYSA-N 298.361 3.646 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@H](C)c1ccc(C)cc1)OCC 533721816 KIOSKNZKIPRHDL-NVXWUHKLSA-N 289.419 3.886 30 20 CHED C=C[C@@H](C)N[C@@H](CC)c1ccccc1OC(F)F 358308769 ZDWYCDBXTFTISN-PWSUYJOCSA-N 255.308 3.903 30 20 CHED CCC1(c2noc(COc3ccc(C#N)cc3)n2)CCCC1 445790869 RMYLPITVRAFDJC-UHFFFAOYSA-N 297.358 3.742 30 20 CHED CN(C(=O)c1cc2ccc(F)cc2s1)C1(C#N)CCC1 604465985 MXGSXWWGEGJLTR-UHFFFAOYSA-N 288.347 3.559 30 20 CHED CCOc1ccc(OCC)c(NC[C@H](C)CCC#N)c1 602489449 LPXATVRQOUJVLP-CYBMUJFWSA-N 276.380 3.836 30 20 CHED C=CC[C@@H]1N(C(=O)C2[C@H]3CCC[C@H]23)CCCC1(C)C 444635523 LAKOASGCNJAPQR-IHRRRGAJSA-N 261.409 3.626 30 20 CHED CCCC[C@H](CCC)CNC(=O)C1(C#N)CC(C)C1 532079156 MTNOAWXSUVXJAV-BBBYJDLNSA-N 264.413 3.649 30 20 CHED C=C(CNC(=O)NC1CCC(F)(F)CC1)c1ccccc1 354612490 ORGXGVYUFWKQKE-UHFFFAOYSA-N 294.345 3.577 30 20 CHED CC(C)c1ccc(SCC(=O)N(C)[C@H](C)CC#N)cc1 264104144 UMSPRXYAMBVDAH-CYBMUJFWSA-N 290.432 3.663 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c(C#N)c2)CCCC1 449842769 ZVVVWJPXHZTKGQ-UHFFFAOYSA-N 272.323 3.772 30 20 CHED C=CCCCc1nc(-c2ccc(O)cc2Cl)no1 445443722 DGEZMOBNYCCWEH-UHFFFAOYSA-N 264.712 3.604 30 20 CHED N#C[C@@]1(F)CCN(Cc2csc(C3CCCCC3)n2)C1 615643117 AAYYUSQXXPBNOI-HNNXBMFYSA-N 293.411 3.628 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1C[C@H]2C=C[C@H]1C2 538724350 GAQDQMOZYRUVRL-AEEMCCEDSA-N 292.426 3.970 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(O)cc3Cl)no2)cc1 445446342 DEZTZNPSHVIKTO-UHFFFAOYSA-N 297.701 3.634 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCCCC1 617338958 BPRQCSIFOQOQDT-OAHLLOKOSA-N 292.467 3.502 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnnc(-c2ccccc2)c1 355671061 MDCDRNUQHHQOBC-AWEZNQCLSA-N 295.386 3.618 30 20 CHED CC1(CNC(=O)c2c(F)cc(C#N)cc2F)CCCCC1 268117570 LENMNYINIRZCAP-UHFFFAOYSA-N 292.329 3.537 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc(C)c(F)c(C)c1 537961239 CFLUWDGSXANFGP-AWEZNQCLSA-N 265.372 3.686 30 20 CHED N#C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 611132678 JUQKIDJTXBTBFM-LDYMZIIASA-N 299.252 3.718 30 20 CHED C=CCOc1ccc(C(=O)N2CCCC(C)(C)CC2)cc1 356932386 IALYTHOLZYAKIN-UHFFFAOYSA-N 287.403 3.904 30 20 CHED C=CCCCC[C@H](C)NCCc1scnc1C 449470643 YGBLIVPKXDLAHH-LBPRGKRZSA-N 252.427 3.719 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cc(Cl)ccc1OCC 539296475 BCUNBFIAIJBZGE-QWHCGFSZSA-N 297.826 3.574 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1CC1(C#N)CC1 611430354 ABWDEBCSVRJMQQ-MRXNPFEDSA-N 254.377 3.546 30 20 CHED CC(=O)Nc1cccc2c1CCCN2CCCC(C)(C)C#N 266904520 JJEPMZDOPJPUAJ-UHFFFAOYSA-N 299.418 3.728 30 20 CHED COc1ccccc1[C@@H](C)[S@@](=O)CCCC(C)(C)C#N 266990618 UIQSYIXYDANAGU-XCLFUZPHSA-N 293.432 3.835 30 20 CHED C=CCC[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccccc1 458563546 DUNVHGRHUHHPPP-MRXNPFEDSA-N 299.418 3.933 30 20 CHED C=CCC1(CN[C@H](C)c2nccn2CC)CCCC1 453364406 LBNBOZDTZNUSHP-CQSZACIVSA-N 261.413 3.690 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)Cc2ccccc21 536678229 JPXBTOBJFPVAEL-UHFFFAOYSA-N 282.412 3.913 30 20 CHED Cc1ccc(N/C(N)=N/[C@H]2C[C@H](c3ccccc3)C2)cc1C 262844957 VKRJIMMNYSGLFQ-SAABIXHNSA-N 293.414 3.976 30 20 CHED C[C@@H](NCC(C)(C)CC#N)C1CCC(F)(F)CC1 459731943 NVNLDUKOUARMFS-LLVKDONJSA-N 258.356 3.730 30 20 CHED CCC[C@H](C)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 269691592 ONAIPWWEDCTKLL-GOEBONIOSA-N 287.407 3.861 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)C1 617782233 AFMVPVLCEIIWMU-ZTNFWEORSA-N 295.426 3.705 30 20 CHED COCc1ccccc1-c1noc(C2(C#N)CCCCC2)n1 612901724 NKSZBQPILOMUKK-UHFFFAOYSA-N 297.358 3.608 30 20 CHED C=C[C@](C)(CC)c1nc(C2(OC)CCCCC2)no1 453227119 CNCBJSATCIBSEL-CQSZACIVSA-N 264.369 3.729 30 20 CHED C[C@@H](c1cccc2ccccc12)N1CC[C@@](F)(C#N)C1 615638305 GNMQZHNMFQAFDN-SUMWQHHRSA-N 268.335 3.838 30 20 CHED C=C(CC)CNC(=O)NC1(c2cccc(Cl)c2)CC1 459068725 DIPRTGQSBGGGCU-UHFFFAOYSA-N 278.783 3.595 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(OC)c2)C1 617782092 YKDLWTUOROISCJ-LBPRGKRZSA-N 293.794 3.777 30 20 CHED CSc1ccsc1C(=O)N[C@](C)(C#N)C(C)(C)C 272381446 FACDZSNAIKHFGG-CYBMUJFWSA-N 282.434 3.528 30 20 CHED C=CCC1(C(=O)NCc2ccncc2C)CCCCC1 450810041 LSHMUTKNIKQSQZ-UHFFFAOYSA-N 272.392 3.533 30 20 CHED C[C@@H](N[C@H](C)c1ccccn1)c1ccc(C#N)c(F)c1 271969628 WLSZNIZAFKXKID-VXGBXAGGSA-N 269.323 3.504 30 20 CHED C=C[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1C 362598232 CWDKDDVXOCIDQG-VIFPVBQESA-N 290.750 3.608 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1c1cccc(C)n1 366999272 VBBHGKXTFOQAEX-GDBMZVCRSA-N 287.407 3.591 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 451392613 JJKAWDZODHQQNX-INWYIAFRSA-N 287.121 3.621 30 20 CHED C=C(CC)CNC(=O)C[C@@H](CC)c1ccc(OC)cc1 456811894 KRSRUJHIVLMRDV-CQSZACIVSA-N 275.392 3.661 30 20 CHED C[C@H](CCCc1cccnc1)NCc1ccc(F)cc1C#N 459651927 ZWHGSCJBHNKJEW-CQSZACIVSA-N 297.377 3.593 30 20 CHED C[C@@H](C#N)C(=O)N(CCCc1ccccc1)c1ccccc1 457202694 KFQYQXSJNTWCSN-INIZCTEOSA-N 292.382 3.812 30 20 CHED C=CCN(C(=O)[C@H](C)c1cccc(Cl)c1)C1CC1 271606720 ZFYQSEMJOBFGDQ-LLVKDONJSA-N 263.768 3.621 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cccc(Cl)c1 453356657 MBQCTYOZLYLANS-ZNMIVQPWSA-N 265.784 3.724 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N2CCC(CC#N)CC2)CC(C)(C)C1 542907506 KQMMOJQBODDIMU-ZBFHGGJFSA-N 290.451 3.991 30 20 CHED CC(C)(CC#N)CNCc1c(F)cccc1Cl 459704441 XQUCTWXXYNEGJM-UHFFFAOYSA-N 254.736 3.509 30 20 CHED C=C(C)CCNC(=O)c1ccccc1SC(C)C 452717013 KIUOQLIMYFCCFC-UHFFFAOYSA-N 263.406 3.883 30 20 CHED Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(C#N)c1 540469252 MYQKPAGHGCOGCX-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CCO[C@@H](C)C2)c1 272143288 PELITTNEAJHNLO-DZGCQCFKSA-N 261.365 3.621 30 20 CHED C=CCCO[C@H](C)c1nc(C2Cc3ccccc3C2)no1 546380305 MXIHHAIPYBVOAM-GFCCVEGCSA-N 284.359 3.606 30 20 CHED CCOc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 271969406 UFXMCOURDWAAAY-CYBMUJFWSA-N 298.361 3.947 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C)C(C)(C)C1 546829749 GKBVKDUIJZLURU-KBPBESRZSA-N 256.393 3.987 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CCC(C)(C)C1 466329154 YGLJQVPFSVEREA-CHWSQXEVSA-N 252.402 3.561 30 20 CHED C=CCOCCN[C@@H](C)c1oc2ccc(OC)cc2c1C 559151722 PZGORTISOKRVHY-ZDUSSCGKSA-N 289.375 3.603 30 20 CHED C=CCn1c(SCCC#CC)nnc1-c1ccc(C)cc1 462407327 FKSUVJITWXUEMO-UHFFFAOYSA-N 297.427 3.945 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(F)cc1 281104438 YNDBRUMGHWXQHK-RMKNXTFCSA-N 272.323 3.808 30 20 CHED CC#CCCN1CCC(Oc2cc(C)ccc2C)CC1 462315245 MCWZMUNNODSLNR-UHFFFAOYSA-N 271.404 3.560 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)[C@H](C)c1ccco1 289531422 DBDPOBUQICZCNV-GFCCVEGCSA-N 286.379 3.522 30 20 CHED C=CCC[C@H](CC)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F 462112242 OBCZAZGZJMNNSG-HRCADAONSA-N 297.389 3.558 30 20 CHED N#CCCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 378642576 GOVYZUSRGBJGDT-CYBMUJFWSA-N 282.309 3.798 30 20 CHED CC#CC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 282823049 OHCQHQHHDWFJAZ-VIFPVBQESA-N 270.159 3.536 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(F)cccc1SC 281064843 LXDBNYGNVWKVHE-SNVBAGLBSA-N 267.369 3.632 30 20 CHED C=C(C)[C@H](CC(=O)Nc1c(F)cccc1Cl)OCC 637105394 SFMKLYLHDSOBEU-LBPRGKRZSA-N 285.746 3.789 30 20 CHED Cc1csc(NC(=O)C[C@H]2CCC[C@@H]2C)c1C#N 288924210 VZPQBXWIRIYPBF-GXSJLCMTSA-N 262.378 3.693 30 20 CHED Cc1nsc(N(C)C[C@H](C)c2ccccc2)c1C#N 553384176 BZJOOEIOAMYRRL-NSHDSACASA-N 271.389 3.563 30 20 CHED C=CCC(CC=C)c1nc([C@@H](C)C(=O)OC(C)(C)C)no1 281015097 YWGXTDXIJWQOHS-LLVKDONJSA-N 292.379 3.751 30 20 CHED C=CCCCN[C@@H](COC)c1cccc(C(F)(F)F)c1 552978176 DJOZFLFSFLFBTN-AWEZNQCLSA-N 287.325 3.949 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 285404380 CRIHDACBYAJLJE-ZWKOTPCHSA-N 284.403 3.507 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 478911994 PYCMGTRKNJVQAV-AWEZNQCLSA-N 285.391 3.848 30 20 CHED CCC1CCC(N(C)C(=O)c2cccc(CC#N)c2)CC1 298636909 YIHAMIAPNRRKAJ-UHFFFAOYSA-N 284.403 3.793 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CC[C@H](F)C1)c1ccccc1 554031590 ISNRXZQTBNIHQC-XHSDSOJGSA-N 275.367 3.743 30 20 CHED C#Cc1ccc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 809553218 ZKZVXZNXZKYRGW-OXJNMPFZSA-N 291.394 3.630 30 20 CHED C=CCCCCNC(=O)N(CC)C1CCCCC1 474085790 YJCAYEYYTQDDHL-UHFFFAOYSA-N 252.402 3.707 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1(CCC)CC1 471062250 OSZNWTLVNCUKOW-UHFFFAOYSA-N 271.404 3.824 30 20 CHED CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[C@@H](C#N)C1 293374797 FYVNEEACHFBFBJ-IEBWSBKVSA-N 297.446 3.801 30 20 CHED C#CCN(Cc1ccccc1)Cc1cccc(Cl)c1O 809717022 BSNAUEHYBVXILO-UHFFFAOYSA-N 285.774 3.681 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)CCCC#N)c1C 292100763 LDYAMURYIKFVDS-INIZCTEOSA-N 270.376 3.661 30 20 CHED C=CCc1cc(CNC(C)(C)C(C)C)cc(OC)c1O 553434107 KSWQFINCMCPPKI-UHFFFAOYSA-N 277.408 3.654 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1csc(CC)n1 293170391 SPIZLPZVZBKWAG-NSHDSACASA-N 295.452 3.668 30 20 CHED C=C(C)COC(=O)c1cc2ccc(F)cc2s1 804711628 OXXAJADJQWGLKZ-UHFFFAOYSA-N 250.294 3.773 30 20 CHED N#Cc1ccc(C(=O)OC[C@@H]2CCCCS2)cc1Cl 802928186 ZZTVZKCDLMDAMZ-LBPRGKRZSA-N 295.791 3.654 30 20 CHED C=C1CCN(C(=O)C(C)(C)c2cccc(Cl)c2F)CC1 475414479 UBDKQFTUWJKVDS-UHFFFAOYSA-N 295.785 3.935 30 20 CHED Cc1nccn1CCCCNc1cccc(Cl)c1C#N 297251794 VLUIGHVWQWGMLR-UHFFFAOYSA-N 288.782 3.609 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 295412407 LKGUAZHDVHPRDD-GFCCVEGCSA-N 293.794 3.532 30 20 CHED CCCC[C@H](C)C(C)=NN=c1cc[nH]cc1Cl 807977409 LYHYUQQHAUMLBL-JTQLQIEISA-N 253.777 3.771 30 20 CHED C#CC[C@H](Nc1cccc(Cl)n1)c1ccccc1 800861115 DEEBFWVJKQLJTM-ZDUSSCGKSA-N 256.736 3.912 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1cccc(Br)c1 294254304 GBWBZFQHGYLNEA-UHFFFAOYSA-N 296.208 3.620 30 20 CHED N#CC[C@@H]1CC[C@H](NC(=O)/C=C/c2cc3ccccc3o2)C1 295633822 XLQQFDZELLBQKD-IZYAJXRASA-N 294.354 3.645 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H]1CCCc2ccccc21 565936577 PBUAUWYVNPSMRA-INIZCTEOSA-N 272.392 3.672 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC1CCC(=O)CC1 290160085 XKUZBJRFZNOHOZ-UHFFFAOYSA-N 284.403 3.530 30 20 CHED C[C@H](SCCO[C@H](C)C#N)c1cccc(F)c1 802749398 BMHUWSLHFOIEAO-MNOVXSKESA-N 253.342 3.549 30 20 CHED CC(C(=O)OCCCC1(C#N)CCOCC1)=C1CCCC1 800180730 XMRYYUPJJSVNFV-UHFFFAOYSA-N 291.391 3.521 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)c1cccc(C2CC2)c1 295560363 LGIFLMXXMJQWHN-NSHDSACASA-N 294.354 3.828 30 20 CHED C#CCCCCC(=O)Oc1cc(C)c(C#N)c(C)c1C 809035072 KYVBMSQKOKLMFJ-UHFFFAOYSA-N 269.344 3.583 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ccccc1SC 295859741 DUKSPTXYWLUEBN-LLVKDONJSA-N 263.406 3.798 30 20 CHED COc1ccc2oc(CN3CCCC(C)(C)[C@@H]3C#N)cc2c1 562489586 UKPUDGSQWGKLQV-KRWDZBQOSA-N 298.386 3.956 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H](CCC)C(C)C 479692783 ORVWQIVYRAVTHR-INIZCTEOSA-N 289.419 3.940 30 20 CHED COCCc1ccc(OCc2ccc(CC#N)cc2)cc1 399025147 HADJLCXWRAIDGS-UHFFFAOYSA-N 281.355 3.521 30 20 CHED C#CCC(C)(C)C(=O)Nc1csc(-c2ccccc2)n1 804825162 WQMVQSMQZCZCKZ-UHFFFAOYSA-N 284.384 3.798 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1 476117759 KCGYOOKWODFWQI-CABCVRRESA-N 261.409 3.818 30 20 CHED C=CCCc1noc(C(F)(F)c2ccccc2OCC)n1 297424509 UWEIGPRSACVKAX-UHFFFAOYSA-N 294.301 3.727 30 20 CHED C=C(C)CN(C)C(=O)Nc1cnn(C(CC)CC)c1CC 485147716 ONRUOPFKLQVVQC-UHFFFAOYSA-N 292.427 3.846 30 20 CHED C[C@H](COc1ccccc1)NN=C1CC[C@H]1C1CCC1 814934180 NZHXWSYKSWOOIW-CJNGLKHVSA-N 272.392 3.610 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cnn([C@H](C)CC)c1C 489068291 HJFVFSPMGNIMRT-TZMCWYRMSA-N 290.411 3.735 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc2nc(C)sc2c1 488589249 BVZZAZJSMQFHNU-UHFFFAOYSA-N 297.383 3.845 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2c[nH]c(C(=O)O)c2)cc1 814811360 BIQSPERGGVNNHP-LBPRGKRZSA-N 299.374 3.521 30 20 CHED C=CCn1c(N(C)c2ccc(C)cc2)nnc1C(C)(C)C 568141250 AUMHMNLVKWRLAF-UHFFFAOYSA-N 284.407 3.838 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OC(C)C)c(C)c1 815690596 QVPPLOHLLJZYAI-UHFFFAOYSA-N 283.318 3.932 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1coc(-c2ccccc2)n1 819963989 JQOUGONQLDUJAJ-UHFFFAOYSA-N 285.343 3.987 30 20 CHED CCOc1ccc(NN=C(C)c2sccc2OC)cc1 814983798 FHZMNWHZYHZAJH-UHFFFAOYSA-N 290.388 3.992 30 20 CHED C=CCCCC(=O)Nc1ccc(OCC(F)F)cc1 480382276 DQNZUFNZYVKCQA-UHFFFAOYSA-N 269.291 3.625 30 20 CHED COc1ccc([C@H](C)C(C)=NN[C@H](C)c2ccncc2)cc1 819815505 ACWRIPSRGUNMIZ-UKRRQHHQSA-N 297.402 3.920 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)s1 486809569 GBVDUGAGWUKBMG-OLZOCXBDSA-N 290.432 3.954 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OCC)c1 489485209 GRVAPGCOYWJEBL-CQSZACIVSA-N 290.363 3.534 30 20 CHED CC(=NOC1CCC1)c1ccc(OCC(F)(F)F)cc1 812236811 VIHKTJYVOCRPBT-UHFFFAOYSA-N 287.281 3.921 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cc(F)cc(F)c2)no1 573136686 KPRXOMDPZKSVJL-AWEZNQCLSA-N 264.275 3.869 30 20 CHED CCON=C(C)Cc1ccc(F)cc1Br 814788153 FORHPNSADWKYDZ-UHFFFAOYSA-N 274.133 3.543 30 20 CHED CC[C@H](C)CON=C1CC[C@@H](C(=O)O)C(C)(C)[C@H]1C 814939059 CLHMVZLKZOYEIC-SRVKXCTJSA-N 269.385 3.562 30 20 CHED Cc1cc(OCc2ccc(F)cc2C#N)ccc1F 486667602 QNSQUGQSKRJAHD-UHFFFAOYSA-N 259.255 3.724 30 20 CHED Clc1cccc2c1OCC2=NNc1ccccc1 814684473 VFTFLKPPYDXNPF-UHFFFAOYSA-N 258.708 3.549 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 573807794 OYGYCGXFIXSRCW-UHIISALHSA-N 288.778 3.781 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O 815636847 DHBKNVMSBUPRPZ-NSHDSACASA-N 278.352 3.553 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H](c3ccccc3)C2)o1 486895081 BVVSTEIPLSMFAN-JKSUJKDBSA-N 280.371 3.967 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 577935938 ZMPNZAKTMYQONO-ZWNOBZJWSA-N 298.308 3.774 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccc(F)c(F)c1F 814945970 ZCUDNORYJYZYQF-VIFPVBQESA-N 286.297 3.708 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(OCCF)c1 488901527 NHYPBSLPZJSHIF-CQSZACIVSA-N 292.354 3.607 30 20 CHED C=C(C)CN(Cc1ccccc1)S(=O)(=O)CCCCC 480448920 OUTXAOTYGHRXGY-UHFFFAOYSA-N 295.448 3.585 30 20 CHED CCCCCCCC(=O)N1CCC[C@H](CSC)C1 817058746 BEHFLLYNZWHGDG-AWEZNQCLSA-N 271.470 3.949 30 20 CHED CC(=NOCC1CC1)c1cc(Br)ccc1F 814243915 TUJWYAUNRGRAMC-UHFFFAOYSA-N 286.144 3.739 30 20 CHED N#Cc1cccnc1/C=C/C=C/c1ccc(F)cc1 486100224 AKKZUWZSRNXWIC-NKZTZDQQSA-N 250.276 3.819 30 20 CHED C=CCC(C)(C)CN[C@H]1CCc2nc(Cl)ccc21 815636727 AIVONVQPTUDJST-LBPRGKRZSA-N 264.800 3.914 30 20 CHED CCCNN=C([C@H](C)OCc1ccccc1)C(F)(F)F 811637818 MLIIAEXYOFCVDP-NSHDSACASA-N 288.313 3.510 30 20 CHED C#C[C@@H](NCc1ccccc1OC)c1ccc(Cl)cc1 811517339 OVXRGRADIVEVCN-MRXNPFEDSA-N 285.774 3.813 30 20 CHED C#CCCOC(=O)c1cc(-c2ccco2)nc2ccccc12 729890529 XVUZNSHFSDWLDW-UHFFFAOYSA-N 291.306 3.675 30 20 CHED CCCCCCOC(=O)c1cc2ccccc2n1CC#N 729767036 SCGSGHQFHMTDBU-UHFFFAOYSA-N 284.359 3.902 30 20 CHED Cc1cccc2oc(C(=O)N3CCC[C@H](CC#N)C3)cc12 824745700 DRIVXIHZRDYYLW-CYBMUJFWSA-N 282.343 3.507 30 20 CHED C[C@H](N=c1[nH]ccc(C#N)c1Cl)c1cc2ccccc2o1 578139543 UJCZRVKDCNIFBL-JTQLQIEISA-N 297.745 3.948 30 20 CHED C#Cc1ccc(C(=O)OCCCCCCCC)nc1 729006362 CZCTUUZCXLBCID-UHFFFAOYSA-N 259.349 3.580 30 20 CHED C=C(C)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 824750758 NTNFYJTYBHPPGR-UHFFFAOYSA-N 289.162 3.957 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc2ccccc2o1 573424017 VKFJFADPFSBAPX-UHFFFAOYSA-N 257.333 3.651 30 20 CHED CCOc1cccc(C=NNC2CCCC2)c1OC(F)F 727652790 ZEKZKLFCNMJJCY-UHFFFAOYSA-N 298.333 3.553 30 20 CHED C#CCOc1ccc(NC(=O)N2CCC[C@@H](CC=C)C2)cc1 820983425 RCICTTVYZSPKAO-OAHLLOKOSA-N 298.386 3.519 30 20 CHED Cc1cc2c(cc1NC1CCC(C)(C#N)CC1)OCO2 824134320 GWNIGJFDWBNDBF-UHFFFAOYSA-N 272.348 3.608 30 20 CHED Cc1ccoc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 499303816 YBBGYLUSRQPYIZ-UHFFFAOYSA-N 282.343 3.763 30 20 CHED CCCCCCCCCC(=O)N(C)CC1CCN(C)CC1 728881822 RSUBXTBBMWWORV-UHFFFAOYSA-N 296.499 3.927 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CCCC(F)(F)C1)CC2 589344173 DUZGUCNMBVZTFE-BBRMVZONSA-N 290.357 3.961 30 20 CHED CC(C)(CCCc1ccccc1)C(=O)N1CCC(C#N)CC1 494715412 PFKFACVLKNZJAJ-UHFFFAOYSA-N 298.430 3.798 30 20 CHED CC(C)[C@H](CC(F)(F)F)NC(=O)CCCCCC#N 588702095 MKFZZJUMKUVBPJ-NSHDSACASA-N 278.318 3.554 30 20 CHED N#CCCCCCC(=O)Nc1ccc(Cl)cc1 588147769 MQDFURCZYWUUQW-UHFFFAOYSA-N 250.729 3.753 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC2(CCC2)[C@H]1C(C)C 582338319 NASMIGVSDGFKSK-MRXNPFEDSA-N 297.402 3.909 30 20 CHED C=CCC[C@H](NCc1cc(OC)ns1)c1ccccc1 660199421 IBZLAHROVCHSFY-HNNXBMFYSA-N 288.416 3.949 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2ccsc2C#N)CC1 906703377 PRBBMLDGQUDPOE-GFCCVEGCSA-N 276.405 3.518 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C)cc1Cl 490028771 HEYQFRGEGAJPTL-UHFFFAOYSA-N 265.784 3.981 30 20 CHED C=CCCCCCN(C)C(=O)/C=C\c1ccsc1 739655935 XFGHNIHJAQCFPI-HJWRWDBZSA-N 263.406 3.966 30 20 CHED C=C[C@@H](CC(=O)Oc1ccccc1C(=O)O)c1ccccc1 833370311 AXGFPXMCWQVBQG-ZDUSSCGKSA-N 296.322 3.650 30 20 CHED Cc1ccc(NN=Cc2c(C)nn(C(C)C)c2C)cc1 901122795 HPLKSVSWVKEQFI-UHFFFAOYSA-N 270.380 3.835 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)Cc2cccc(O)c21 834444836 SGZNMGRYUWBICV-YRNVUSSQSA-N 283.352 3.549 30 20 CHED CCCCCCCCC/C=C\C(=O)NC1(C#N)CC1 737855133 PBMFAKQDWNAXFO-KHPPLWFESA-N 262.397 3.856 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CCCC2(C)C)c1C#N 584225295 MMXWPOCMYIYBJO-LLVKDONJSA-N 277.393 3.628 30 20 CHED Cc1ccc(C)c(NN=Cc2cnn(C(C)C)c2)c1 732711537 OZZBFDCQFQITSS-UHFFFAOYSA-N 256.353 3.527 30 20 CHED CC[C@@H](CC(C)C)C(=O)OCc1ccc(OCC#N)cc1 838252814 QBXOIFNEGVFUAV-HNNXBMFYSA-N 289.375 3.704 30 20 CHED C=C(C)COc1cccc(NC(=O)N2C3CCC2CC3)c1 589740979 NZHLASNFWGALDI-UHFFFAOYSA-N 286.375 3.800 30 20 CHED C=C[C@@H](C)NC(=O)Nc1csc(-c2ccccc2)n1 672828715 DSCTYRHJGHBHHT-SNVBAGLBSA-N 273.361 3.506 30 20 CHED COc1cccc(/C=N\[C@@H]2CC[C@H](C)C[C@H]2C)c1O 733080820 CGMRFXWSKTXSSV-RQSUVKSXSA-N 261.365 3.644 30 20 CHED C=C[C@H](CC(=O)Oc1ccccc1C(=O)O)c1ccccc1 833370310 AXGFPXMCWQVBQG-CYBMUJFWSA-N 296.322 3.650 30 20 CHED O=C(C#CC1CC1)N(Cc1cccc(F)c1)C1CCCC1 837406755 LLQWSSMJMAQLGY-UHFFFAOYSA-N 285.362 3.510 30 20 CHED C=CC[C@H](NC(=O)C1=CC[C@H](C)CC1)c1ccncc1 836699295 MJYSQBANULYBIP-BBRMVZONSA-N 270.376 3.561 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)C#CC3CC3)ccc21 837370878 VXWGIUMVMRZZRV-UHFFFAOYSA-N 280.371 3.649 30 20 CHED CCCCCCCCCN(C)C(=O)NC[C@]1(C)CCOC1 733351368 BDMIJJBQVXAHEL-KRWDZBQOSA-N 298.471 3.805 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C#N)ccc2C)c1 599226974 OXHGIFQGXXVDDX-DLBZAZTESA-N 290.366 3.917 30 20 CHED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C#CC1CC1 837583244 FCKDTYTXUZRLCN-CQSZACIVSA-N 295.304 3.518 30 20 CHED CC[C@H](Nc1ncc2c(c1C#N)CCC2)c1nc(C)cs1 591819449 DVLYXAXIIFXIMN-AWEZNQCLSA-N 298.415 3.770 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 593476687 WTOGRDFLHANCEJ-CABCVRRESA-N 298.411 3.698 30 20 CHED C[C@@H](Nc1ncc2c(c1C#N)CCC2)c1cc(F)ccc1F 591817804 FJCSJJQPXDSAJA-SNVBAGLBSA-N 299.324 3.893 30 20 CHED N#Cc1nc(N2CCC[C@@H]2C2CCCC2)sc1Cl 590573626 DWYZPSNPWWTSOM-LLVKDONJSA-N 281.812 3.827 30 20 CHED CC[C@@H]1CCC[C@@H](/N=C/c2cccc(OC)c2O)C1 740764024 WGEBVFWIHBXOLL-JQWWKUHOSA-N 261.365 3.789 30 20 CHED COc1ccc(CCC(C)=NNc2cc(C)nc(C)n2)cc1 915968374 UHPKHWQYFJNKLS-UHFFFAOYSA-N 298.390 3.523 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccccc2C#N)C1 740797145 HQLGDUSVJZUPNG-KETGZPNNSA-N 282.387 3.656 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@H](CC#N)c1ccccc1 598522957 SVBFNNDTISKCDO-INIZCTEOSA-N 284.403 3.935 30 20 CHED CC(C)CCCCCC(=O)N(CCC#N)CC1CC1 747906028 CFUUZTLTGZXYTJ-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C=C(C)CCc1noc(-c2ccc(OC)cc2Cl)n1 671670954 URGJQECGDRXDDL-UHFFFAOYSA-N 278.739 3.907 30 20 CHED Cc1ccsc1C/N=C\c1cc2ccccc2nc1O 914558029 PKEXWSSJOIPPQR-MFOYZWKCSA-N 282.368 3.929 30 20 CHED O=[N+]([O-])c1cccc(C=NNc2ccc(Cl)c(F)c2)c1 747635081 DZMGRHWGYCMWJI-UHFFFAOYSA-N 293.685 3.833 30 20 CHED Fc1ccc(C=NNCc2ccccc2Cl)cc1F 918152945 PJGBBNOXJWSABP-UHFFFAOYSA-N 280.705 3.742 30 20 CHED Cc1cc(CN2CCC[C@H](CC#N)C2)cc2cccnc12 597177459 MMXCRJGJTGNFRG-OAHLLOKOSA-N 279.387 3.669 30 20 CHED CN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccc(C#N)cc1 598814451 LNKSOILEYLGBJV-HZPDHXFCSA-N 282.387 3.737 30 20 CHED C[C@@H](C#N)N(Cc1ccc(Cl)c2cccnc12)C1CC1 595713544 KEAPBCJTDLDWLF-NSHDSACASA-N 285.778 3.765 30 20 CHED O=C1/C(=C\c2cccc(OC(F)F)c2)Oc2ccccc21 742437453 UFVWSPADLMPCHH-NTEUORMPSA-N 288.249 3.904 30 20 CHED CC[C@@H](C)CCNC(=O)N[C@@H](CCC#N)c1ccccc1 595569136 RFGSORNNOOLFBM-ZBFHGGJFSA-N 287.407 3.767 30 20 CHED CC(C)(C)c1cccc(C(=O)N2CCC[C@@H](CC#N)C2)c1 597901369 JTTDNMPWUXVQQL-AWEZNQCLSA-N 284.403 3.750 30 20 CHED COc1cccc(O)c1/C=N/C[C@H](C)Cc1cccs1 741463702 HSASCYUDFPMDPW-PBSOMRJOSA-N 289.400 3.760 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H](CC)CC(F)(F)F)c1 840433227 RVVRCSYUYHVVNU-GFCCVEGCSA-N 298.308 3.768 30 20 CHED CC[C@H](C/N=C\c1ccccc1O)CC(F)(F)F 840711381 QICUGPZKJNCBAW-HLGUWXJESA-N 259.271 3.790 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(CC#N)c2)C1 596925127 BIDIDEWOYGRIDZ-ZIAGYGMSSA-N 285.391 3.795 30 20 CHED C=C(Br)CN(Cc1ccccc1C)C1CC1 746650280 BHDFGOLEPCDDQG-UHFFFAOYSA-N 280.209 3.868 30 20 CHED C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C1CC1 595713966 NARZGZFINDMXIN-SNVBAGLBSA-N 268.282 3.582 30 20 CHED CC1(C#N)CCC(NCCc2ccc(F)cc2F)CC1 590645300 NBWXXCUNBVYDTE-UHFFFAOYSA-N 278.346 3.569 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCCCCCCF 847713513 YQZSONBKCVIPLT-AWEZNQCLSA-N 291.366 3.810 30 20 CHED COc1ccc(C)cc1C(C)=NNc1ccc([N+](=O)[O-])cc1 744516554 MGYSMJJBLTXKQZ-UHFFFAOYSA-N 299.330 3.748 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1C[C@H]1c1ccco1 591257378 VUMSOMMEDLWJMV-BRWVUGGUSA-N 278.355 3.674 30 20 CHED N#Cc1cccc(-c2ccc(OC[C@@H]3CCCO3)cc2)c1 592988036 DSHLXAGOLRZGQH-SFHVURJKSA-N 279.339 3.783 30 20 CHED CCC(C)(C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 747196686 AMZROLXGHOOLSO-SNVBAGLBSA-N 264.394 3.879 30 20 CHED C[C@H](N[C@@H](C#N)c1ccccc1)[C@@H]1OCCc2sccc21 595508432 ACTXBOSKEDDUCH-NUTKFTJISA-N 298.411 3.605 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)c1ccsc1 749194073 UCYQHXGZGXTPGQ-UHFFFAOYSA-N 276.744 3.610 30 20 CHED N#CC1(c2cccc(-c3ccncc3Cl)c2)CCOCC1 844232340 NLPKYGNGKPFZFV-UHFFFAOYSA-N 298.773 3.974 30 20 CHED CCOCCCON=Cc1cccc(Cl)c1Cl 742350461 BWCVCBBAZAYGCF-UHFFFAOYSA-N 276.163 3.771 30 20 CHED CC(CCCCC#N)=NNCc1ccccc1Cl 841620489 YPHXCKVIHQJLGD-UHFFFAOYSA-N 263.772 3.889 30 20 CHED C#CCCCCNC(=O)C1(c2ccccc2Cl)CCC1 844426636 YYTOKTKSJHCAMF-UHFFFAOYSA-N 289.806 3.681 30 20 CHED CCCOc1cccc(C=NNc2ccc(Cl)nc2)c1 743450937 UZJMONNHZIONDQ-UHFFFAOYSA-N 289.766 3.970 30 20 CHED CCc1cccc2c1OCC[C@@H]2/N=C\c1ccccc1O 750949782 JFONABBIWYJIBA-JJBLJPBOSA-N 281.355 3.897 30 20 CHED CC(CC1CCOCC1)=NNc1cc(C)ccc1C 757563338 LLWUJZIDZRANGS-UHFFFAOYSA-N 260.381 3.908 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(F)cc2)c1O 920943141 OLHNSMDOLWUTPU-WQRHYEAKSA-N 273.307 3.549 30 20 CHED Cc1cc(C)c2c(c1)C(=NNc1ccc(F)cc1C)C(=O)N2 750938787 OOFOBHSMKAGLQK-UHFFFAOYSA-N 297.333 3.519 30 20 CHED CCSc1cccnc1C(=O)O[C@@H](C)CC(C)(C)C#N 851204725 CMXDEMRVAGRXQY-NSHDSACASA-N 292.404 3.679 30 20 CHED C#CCCCC(=O)NCC1(c2ccccc2)CCCCC1 758015015 QILMLXDQFJDMLE-UHFFFAOYSA-N 283.415 3.808 30 20 CHED CCC#C[C@@H](C)Sc1ccc(C(C)=O)cc1OC 680837425 NRIDJYRNDRXGFC-LLVKDONJSA-N 262.374 3.792 30 20 CHED CC[C@H](CNC=C1C(=O)CC(C)(C)CC1=O)c1ccccc1 920979936 ZZQPCZJFBZOQGG-CQSZACIVSA-N 299.414 3.612 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN[C@H](C)CC(C)(C)C#N)o1 924716805 QTZZPICJOXAEAR-OUCADQQQSA-N 260.381 3.821 30 20 CHED CCCc1ccc(/C=C2/CCn3nccc3C2=O)s1 857203089 YLSLHUHTCYHJMI-KHPPLWFESA-N 272.373 3.567 30 20 CHED CC(C)CCOc1ccc(C=NO[C@@H]2CCCCO2)cc1 755822836 VMKYXKAGKOGOIJ-QGZVFWFLSA-N 291.391 3.989 30 20 CHED CC(/C=C1/CCc2c(cnn2C)C1=O)=C\c1ccccc1 750914203 TZKLKZVRTWGQGH-RJSPBKBSSA-N 278.355 3.579 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)OCC1(CC#N)CC1 756567864 PAWPPLXAYMAMRO-ZRDIBKRKSA-N 289.762 3.980 30 20 CHED CCCCCCCCNC(=O)c1cnc(C)nc1C(C)C 754849695 JEEHORYXOULROX-UHFFFAOYSA-N 291.439 3.999 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)c1ccsc1 851210572 WRAWDBSEYNCGEK-QWRGUYRKSA-N 265.378 3.723 30 20 CHED C#CCCCCNc1nc(C(F)F)nc2ccc(F)cc12 853444663 MDXWIFBSNXMLBG-UHFFFAOYSA-N 293.292 3.922 30 20 CHED C/C(=C/C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 857579170 BKQCUWXBGCJFKF-WQLSENKSSA-N 297.358 3.750 30 20 CHED CCCCCCCCNC(=O)CC[C@H]1CC[C@H](C)O1 754850441 NLAKDJFRFFMRHL-LSDHHAIUSA-N 269.429 3.811 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(COC(C)(C)C)c1 933212460 GMTMDMSXEFYZBA-GFCCVEGCSA-N 276.380 3.698 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1cnc(COC)s1 851143899 OKBFOWUTQRAAML-NEPJUHHUSA-N 295.404 3.581 30 20 CHED C=CC(C)(C)CCOC(=O)[C@H]1CCO[C@@H](CCC)C1 851299537 PVRLDCJYPFJYDN-KBPBESRZSA-N 268.397 3.727 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2c(F)ccc3ccncc23)C1 857627066 FINUQPRJELBZIP-YPMHNXCESA-N 298.317 3.613 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 934921350 AXEWFTMMGSRTKS-CABCVRRESA-N 279.424 3.587 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)N(C)C1CCCCC1 853784212 ZBPVDWHENPNENR-NSHDSACASA-N 275.845 3.652 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(F)c2)cccc1[N+](=O)[O-] 756786735 JCKGXBBAYKTKMS-HJWRWDBZSA-N 285.274 3.938 30 20 CHED CC#CCCCC(=O)OCc1ccc(Cl)cc1 767045454 GSAUJACXTPKKCO-UHFFFAOYSA-N 250.725 3.577 30 20 CHED CCc1noc(C)c1C(C)=NNc1cc(F)cc(F)c1 769790949 FPTDIRXXLYWCTK-UHFFFAOYSA-N 279.290 3.660 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)Cc1ccc(F)c(Cl)c1 860647215 UVJBTSCLPHYWLH-LBPRGKRZSA-N 283.730 3.503 30 20 CHED C=CC1CCN(C(=O)c2ccc(F)c3occc23)CC1 932505879 MZAFANVGZZKUQJ-UHFFFAOYSA-N 273.307 3.610 30 20 CHED CCCCOc1ccc(C=NOCC2CC2)cc1OC 763172012 CTCHXUNDEJJJFO-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C#C[C@@H](OC(=O)c1oc(CCC)nc1C)c1ccc(C)cc1 860963535 XFXYNWWUAJNCKW-OAHLLOKOSA-N 297.354 3.775 30 20 CHED C#C[C@H](CC)OC(=O)c1cc(-c2ccccc2Cl)on1 768059903 CGDZOENGDLJBLB-SNVBAGLBSA-N 289.718 3.564 30 20 CHED C#CCOc1cc(F)ccc1NC/C(Cl)=C\Cl 763244208 MCDGIICKHKWEPC-VQHVLOKHSA-N 274.122 3.569 30 20 CHED CCCCCC[C@@H](C)NN=C1CCC[C@@H]1OCC 766454484 HXEPYHPGBGMUIZ-HIFRSBDPSA-N 254.418 3.880 30 20 CHED CC#CCCOC(=O)c1ccc(Cl)cc1Cl 760295434 MQCWIYWTHXLRCI-UHFFFAOYSA-N 257.116 3.564 30 20 CHED CCC[C@@H](CC)C(=O)Nc1scc(C)c1C#N 875708594 GMHPIVQRXQWLRT-SNVBAGLBSA-N 250.367 3.693 30 20 CHED C=CCCCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1 1116092870 JDIZWUNWAGQFEO-UHFFFAOYSA-N 284.311 3.882 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 879019555 VPHKYCPPTIBOTK-XJKSGUPXSA-N 257.377 3.808 30 20 CHED C[C@@H]1CCC[C@@H](COC(=O)Cc2ccccc2CC#N)C1 777164160 LNQIVLCVTNKLPZ-HUUCEWRRSA-N 285.387 3.665 30 20 CHED Cc1ccc(COC(=O)c2ccc(C#N)s2)c(C)c1 770119346 TXMCKLKJKIXRIV-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2cc(OC)ccc2c1 1116903698 WKZJQXODLBWCDO-MRXNPFEDSA-N 283.371 3.933 30 20 CHED C=CC(C)(C)C(=O)O[C@@H]1CCO[C@H](c2ccccc2)C1 873620594 XGJJHYFGWZNFMJ-CABCVRRESA-N 274.360 3.662 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C1(F)CCCC1 771914826 SNLIIVCCGUCAHH-UHFFFAOYSA-N 288.366 3.579 30 20 CHED C#CCN(Cc1occc1C)[C@@H]1CCc2ccccc21 772597571 HOHAGGURSOPARL-QGZVFWFLSA-N 265.356 3.711 30 20 CHED C#CCCCCCC(=O)NCCc1cccc(Cl)c1 779742053 GELMKVANEGNHME-UHFFFAOYSA-N 277.795 3.582 30 20 CHED C[C@H]1C[C@H](NCc2cccc(OCC#N)c2)c2ccccc21 1117502855 CBMXFNUBPSXZKW-LIRRHRJNSA-N 292.382 3.927 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1nc(O)c2ccccc2n1 773202952 HKRRYGOSVQVFQB-TZMCWYRMSA-N 296.374 3.726 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1nccnc1Cl 773203691 WCLRCYYGOVGTIG-MNOVXSKESA-N 264.760 3.520 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OC2CCSCC2)cc1 873556937 ULHGGHKZIWMLFP-UHFFFAOYSA-N 289.400 3.540 30 20 CHED C#CCCCN[C@@H](CCCC)c1ccc(OC)cc1 775356632 ZNIHBVIRCHTBMY-KRWDZBQOSA-N 259.393 3.930 30 20 CHED C=C(C)CN(C)CC(=O)Nc1ccc([C@H](C)CC)cc1 778229727 AOXJQBBGEGUFNN-CQSZACIVSA-N 274.408 3.647 30 20 CHED C=CCN(C(=O)Nc1cc(C)cc(F)c1)C(C)C 770607910 UBIHVFPQPIXGMO-UHFFFAOYSA-N 250.317 3.562 30 20 CHED CCCCCCCN[C@@H](C)C1CCN(C(=O)OCC)CC1 778223104 IESXNOFWVVFLGH-HNNXBMFYSA-N 298.471 3.803 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C)cc1CN(C)C 779937691 BDIFAOPUSSIGQV-UHFFFAOYSA-N 286.419 3.579 30 20 CHED Cc1ccc(F)cc1C=NNCc1cccc(Cl)c1 777887378 GBXQKOWLXNDBLY-UHFFFAOYSA-N 276.742 3.911 30 20 CHED C=C[C@H](CC)CC(=O)O[C@@H]1C[C@H](C)C(=O)C(C)(C)C1 1123045318 AOPWDCVKQAGRNJ-YNEHKIRRSA-N 266.381 3.526 30 20 CHED CCCCc1nc(COC(=O)C#Cc2ccccc2)cs1 773454089 PPNQBHAMYSXMDY-UHFFFAOYSA-N 299.395 3.581 30 20 CHED Cc1ccc([C@@H]2CCCC2=NOC2CCOCC2)cc1 774432446 CWBCJKJLTPYXQC-INIZCTEOSA-N 273.376 3.814 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(C#N)ccc1F 888354376 XMWPDAWZYBFONF-XHDPSFHLSA-N 289.354 3.740 30 20 CHED CC(C)(C)CC(=NOC[C@H]1CCOC1)c1ccccc1 788029604 HCNPAJQXPXDKEG-AWEZNQCLSA-N 275.392 3.880 30 20 CHED CCN(CC)c1ccc(CN2CCC(CC#N)CC2)cc1 781927381 OHNKBIMQAFQFSI-UHFFFAOYSA-N 285.435 3.658 30 20 CHED C=C[C@](C)(O)c1cn([C@@H](C)c2ccc(C(C)(C)C)cc2)nn1 881281179 UBVVTDYVQVJTKQ-UGSOOPFHSA-N 299.418 3.578 30 20 CHED C=C[C@H](CC)CC(=O)O[C@H]1C[C@@H](C)C(=O)C(C)(C)C1 1123045316 AOPWDCVKQAGRNJ-UPJWGTAASA-N 266.381 3.526 30 20 CHED FC(F)(F)c1ccc(NN=C2CCC23CCCC3)nn1 788722507 VXMVRAKMVBGYOJ-UHFFFAOYSA-N 284.285 3.618 30 20 CHED CC[C@@H](Nc1ccccc1)C(=O)OCCCC(C)(C)C#N 783641450 IEVBJOFXYVOQDZ-OAHLLOKOSA-N 288.391 3.750 30 20 CHED O=C(/C=C\c1ccccc1C1CC1)c1cncs1 787169018 KOBCLRPMPSDATH-FPLPWBNLSA-N 255.342 3.917 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C(C)=C(\C)CC 780037038 YBHGQGDSTGRQHR-BUHFOSPRSA-N 261.365 3.583 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2ccc(C#N)cc2F)C1 1129522216 KXNILEGNHOSDQJ-GFCCVEGCSA-N 275.323 3.823 30 20 CHED CC[C@H]1CCC[C@H](C=Nn2cc(Br)cn2)C1 783856371 AFRBOGJHUOELRF-QWRGUYRKSA-N 284.201 3.696 30 20 CHED C=C1CC(c2noc([C@@H](c3ccccc3)N(C)CC)n2)C1 896877504 SSSCWZBXAGHBPG-OAHLLOKOSA-N 283.375 3.544 30 20 CHED Cc1cc(C)nc(C[S@](=O)CCCCC(C)(C)C#N)c1 899439677 HCVVDMBZZVPNOE-HXUWFJFHSA-N 292.448 3.667 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc3cnccc3c2)c1 782353112 YJZAMZDNBWUIII-HWKANZROSA-N 274.323 3.834 30 20 CHED FC(F)Sc1ccc(C=NO[C@H]2CCCCO2)cc1 781597415 SUVOFWCKZBLMNG-LBPRGKRZSA-N 287.331 3.878 30 20 CHED CCOCCC=NNc1c(Cl)cc(F)cc1Cl 788436733 FTMQEGBCGFYLFM-UHFFFAOYSA-N 279.142 3.957 30 20 CHED Clc1cccc(NN=Cc2ccc3ncccc3c2)n1 793161731 LBARKDJNIYZZCS-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1ccc(C)c(C#N)c1 799304186 BVGRZUIHCPEFGL-UHFFFAOYSA-N 292.382 3.837 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NOCC(F)(F)F)C1 799111857 MBGMSESJJXMONN-LLVKDONJSA-N 286.297 3.983 30 20 CHED N#CC1(CCCC[S@@](=O)Cc2ccc(F)cc2)CCC1 899385530 HBCZLALQIUCXEO-HXUWFJFHSA-N 293.407 3.939 30 20 CHED COc1cccc(F)c1C(C)=NNc1cccc(Cl)n1 793175566 WQRGGIKLJUEMBK-UHFFFAOYSA-N 293.729 3.719 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2ccc(C)c(C#N)c2)c1 799320109 QWXSCSNGDQYTQA-UHFFFAOYSA-N 278.355 3.760 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@H]1c1cc(C)ccc1C)C(C)C 798556961 MLLDREWRBKDLCV-MSOLQXFVSA-N 298.430 3.808 30 20 CHED CCOCCON=Cc1cc(Cl)ccc1OCC1CC1 797403629 SMWGKYZVTVNEJE-UHFFFAOYSA-N 297.782 3.516 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CC1CCCC1 799440933 OPVLEQKBYFSXKY-UHFFFAOYSA-N 257.333 3.606 30 20 CHED CCn1c(C)cc(C=NNc2cccc(Cl)n2)c1C 793162707 BTFNEPPKSNGLEA-UHFFFAOYSA-N 276.771 3.619 30 20 CHED CC(C)c1c(Cl)ncnc1NN=CC(C)(C)C 797404836 RMRWHWLJAWHXGA-UHFFFAOYSA-N 254.765 3.697 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccnc(SC(C)(C)C)c1 791743758 UHRQQNBZWYAXHP-ZDUSSCGKSA-N 290.432 3.504 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)C(C)C 799048841 WHBHYJGOULAPOV-KBXCAEBGSA-N 279.383 3.717 30 20 CHED CN(C)c1ccccc1CNN=C/C=C\c1ccccc1 794952796 WHPIQQCCPWCVJH-KWJVRTRQSA-N 279.387 3.541 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2ccc(F)c(C#N)c2)s1 790330037 RUPLSUATDXZJPP-JTQLQIEISA-N 288.347 3.558 30 20 CHED CC[C@@H](C)CON=C(C)c1cc(OC)c(OC)cc1C 793163352 JESHKMTXFHQSQQ-LLVKDONJSA-N 279.380 3.799 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C/c1ccccc1C)C2 794960880 IYBLZJRGHBPIKW-OVCLIPMQSA-N 294.350 3.835 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccc2n[nH]cc2c1 794902403 XGMQFYOBKWEJRN-UHFFFAOYSA-N 298.777 3.730 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(Br)cc1 54400269 RFUXXPHEZMFEGN-SNVBAGLBSA-N 282.181 3.593 30 20 CHED Cc1nc(C#N)cc(NCC2CC(C)(C)CC(C)(C)C2)n1 1307161412 XPVCZENBOGWIPN-UHFFFAOYSA-N 286.423 3.921 30 20 CHED N#Cc1nccc(SCc2ccc(C(F)(F)F)cc2)n1 1307111937 QZAGFGJBZCHDDF-UHFFFAOYSA-N 295.289 3.659 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H]1CCC(C)C 1168111532 FOMHYUUXIDKBBA-QGZVFWFLSA-N 286.419 3.967 30 20 CHED N#CCCSCC(=O)Nc1ccc(Cl)cc1Cl 82692955 WDCKBYALXREDIL-UHFFFAOYSA-N 289.187 3.579 30 20 CHED Cc1ccc(CN(C)c2ccc(C#N)c(Cl)c2)nc1 302675442 MNUMFVPHTVGAFK-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CCCC[C@H](C)C(=O)Nc1ccc(Cl)cc1C#N 702396267 CKSMJROXWZUPBD-JTQLQIEISA-N 264.756 3.976 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(OCC(C)C)cc1 1320427926 NRAJDFGUYQCMOT-GOEBONIOSA-N 277.408 3.573 30 20 CHED C=CCC[C@H](NCc1ccc(NC(=O)C2CC2)cc1)C1CC1 1320010205 ONWGAHBLVVBPIT-SFHVURJKSA-N 298.430 3.870 30 20 CHED CCCCCCCCC(=O)Nc1ccc(NC(C)=O)cn1 1320945389 SOBXUHWGMLQURC-UHFFFAOYSA-N 291.395 3.729 30 20 CHED N#Cc1ccc(SCc2nnc(C3CCCC3)o2)cc1 1257843649 ADQCPFWQOSGWJV-UHFFFAOYSA-N 285.372 3.891 30 20 CHED Cc1ccncc1[C@@H](C)Nc1nc(C)c(C#N)cc1Cl 589690262 WISKAGIVACLCNP-LLVKDONJSA-N 286.766 3.792 30 20 CHED N#C[C@@H](NC(=O)c1ccsc1Cl)C1CCCCC1 597342499 MIZYIOXRYQRVON-LLVKDONJSA-N 282.796 3.604 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(C#N)c(F)c1 1254230143 QHYTUABRXKZMPN-GFCCVEGCSA-N 295.317 3.773 30 20 CHED CCN(C(=O)c1ccc(-c2ccccc2)s1)[C@@H](C)C#N 1334619329 ZLRZQSUNTIKHNR-LBPRGKRZSA-N 284.384 3.789 30 20 CHED Cc1cc(C)c(C#N)c(N(C)CCc2ccc(Cl)cc2)n1 1337681870 LYSZHDUDPMKYMQ-UHFFFAOYSA-N 299.805 3.902 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(F)c3cccnc23)C1 1337474968 MQTCZUBOUFIJAY-VXGBXAGGSA-N 298.317 3.613 30 20 CHED Cc1ccc(NC(=O)c2ccsc2C#N)cc1Cl 1347995923 RXPBZEISIKMLMI-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnc2ccccc2c1 1262655200 FGKWFPCFPSCNIE-INIZCTEOSA-N 280.371 3.806 30 20 CHED CCC[C@H](C)C(=O)[C@H](C#N)c1nccn1Cc1ccccc1 1346538213 VNQNPUCIYAZOIP-HOCLYGCPSA-N 295.386 3.544 30 20 CHED N#Cc1cccc(-c2nnc(CCc3ccccc3F)o2)c1 1345951500 JWBDPBANOANYQE-UHFFFAOYSA-N 293.301 3.533 30 20 CHED COc1ccc(C=NOC(C)(C)C)c(Cl)c1OC 1341309415 PTYZDBLGETVBEN-UHFFFAOYSA-N 271.744 3.506 30 20 CHED Cc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C)cc1C#N 1275030307 SBVDPTJCDLUYJG-SUMWQHHRSA-N 270.376 3.565 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C1(F)CCCCC1 1279077572 NDEWCFZTFHCOQK-UHFFFAOYSA-N 280.730 3.823 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(C)C[C@H](C)CC 1286620920 WHLCMVIHMUWGHL-LLVKDONJSA-N 284.835 3.636 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccc(Cl)s2)c1 1525013088 KWXHXYGXQPLEAI-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCCC[C@@H](CC)C(=O)O[C@H](CC#N)c1ccco1 1526991561 CUYDJVIMZIJRBW-TZMCWYRMSA-N 263.337 3.994 30 20 CHED C=C(CNC(=O)[C@H](C)c1ccccc1C)c1ccccc1 1527585507 MICKJMYOMVXDTF-MRXNPFEDSA-N 279.383 3.928 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)cc1F)C1CCCCC1 1527522543 NYZSYXKYYLWRQL-MRXNPFEDSA-N 288.366 3.786 30 20 CHED N#Cc1c(Cl)nsc1Sc1ccccc1O 1472850929 WWGSIMPXMMHILB-UHFFFAOYSA-N 268.750 3.525 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)c1ccc(Cl)cc1 1472801251 QGUVPAMVHYNDBS-VIFPVBQESA-N 275.714 3.919 30 20 CHED Cc1cc(NC(=O)c2cc3ccccc3n2CC#N)cs1 1543304570 WCVNITVWLXORJY-UHFFFAOYSA-N 295.367 3.787 30 20 CHED CCCCCCCCC(=O)Nc1ccc(CCO)cc1 103941843 VIQVVTBPGADMTQ-UHFFFAOYSA-N 277.408 3.911 30 20 CHED N#Cc1sc(Oc2cccc3c2OCCC3)nc1Cl 1642853038 KRIPEWBNFCVFEZ-UHFFFAOYSA-N 292.747 3.785 30 20 CHED Cc1cc(Oc2ccc(F)c3c2C(=O)C[C@H]3C)ncc1C#N 1649590921 UJVVYFHLZNQJHI-SNVBAGLBSA-N 296.301 3.883 30 20 CHED C=C(CC)C(=O)Nc1ccc2sc(C(=O)O)cc2c1 1573326459 WIQQTNAFZDCFRM-UHFFFAOYSA-N 275.329 3.504 30 20 CHED N#Cc1ccc(Sc2ccc3c4c(cccc24)CC3)nn1 1643087934 OCTHBNOPQNLDJP-UHFFFAOYSA-N 289.363 3.751 30 20 CHED CCCc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 1583559584 OUNZOHWENMBQBQ-GDBMZVCRSA-N 271.360 3.878 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1c(Cl)ccc(C(=O)O)c1C 1588534706 CAYZOJRDZSMKQY-SECBINFHSA-N 295.766 3.887 30 20 CHED CCc1ccccc1CCOc1ccc(C#N)c(F)c1 1651815578 FEIQUAHRMAWSEO-UHFFFAOYSA-N 269.319 3.881 30 20 CHED C[C@H](Nc1cccc(CCC(=O)O)c1)c1cccc(C#N)c1 1593365655 DVOFCNOVHFDHMR-ZDUSSCGKSA-N 294.354 3.749 30 20 CHED C=CCc1cccc(CN(C)Cc2cc(C(=O)O)c(C)o2)c1 1776189372 SOHDFMAOBHYSAO-UHFFFAOYSA-N 299.370 3.647 30 20 CHED C=CC[C@H](C)NCc1cc(F)cc(C(F)(F)F)c1 158102185 GJRHKLYQXSQRIA-VIFPVBQESA-N 261.262 3.899 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 160641165 VAUJMASMFMVLML-ROUUACIJSA-N 278.355 3.890 30 20 CHED C#CCCCCNCc1ccc(Cl)c(Cl)c1 165933857 LAGDKDSVEXZRAQ-UHFFFAOYSA-N 256.176 3.887 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 5127593 ZEXDHSBPHNQVCF-QPJJXVBHSA-N 289.237 3.769 30 20 CHED CCOc1cc(C)ccc1CNCC(C)(C)CCC#N 153472361 CPBXCQATRHKMTL-UHFFFAOYSA-N 274.408 3.813 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N(C)C1CCCC1 510053709 FUYRIFFHFYWUSW-UHFFFAOYSA-N 286.419 3.712 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 6250385 DJONUMZAJCQDKF-NSHDSACASA-N 267.288 3.640 30 20 CHED CCCCCCCCCCC(=O)N[C@@H]1CCN[C@@H](C)C1 834678621 YVBQIOHIBITIGB-JKSUJKDBSA-N 282.472 3.774 30 20 CHED Cc1ccc(NCc2cccc(C#N)c2F)c(F)c1 223727368 GRNCDLKASIIZMQ-UHFFFAOYSA-N 258.271 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CC[C@H]1c2ccccc2CCN1C(=O)c1cccc(C#N)c1 74644924 QBGKHCKQWKYNEU-SFHVURJKSA-N 290.366 3.708 30 20 CHED CCn1c(COc2ccccc2C#N)nc2c(F)cccc21 77564896 XKDAEYCJHOTYJL-UHFFFAOYSA-N 295.317 3.646 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(CCC#N)CCC(C)C 78531417 KWVNFOGCLQSNPS-UHFFFAOYSA-N 298.390 3.660 30 20 CHED N#Cc1ccc(NCc2c(F)cc(F)cc2F)cc1 83451377 NUXUWQLBVQMYKY-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C[C@H]1CCCCC[C@@H]1NCc1ccc(OCC#N)cc1 88506032 MDIRSHHHKWYUGL-YOEHRIQHSA-N 272.392 3.647 30 20 CHED C=CCCCCCN(C)Cc1ccc(OC)c(O)c1 93498012 TTXNDRMVADJWSM-UHFFFAOYSA-N 263.381 3.579 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1 98053752 RVIUGABGOHFFGG-GHXNOFRVSA-N 277.323 3.853 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccccc1C(F)(F)F 102239725 UTOGSCNIJJLGNL-JTQLQIEISA-N 271.282 3.849 30 20 CHED CCCCCCCC(=O)NCc1nc2ccccc2n1C 104984390 GQDHPJDPTAQDAH-UHFFFAOYSA-N 287.407 3.550 30 20 CHED N#Cc1c(F)cccc1Nc1ccc2c(c1)CCC2 105736066 RPEKLMNKMUEVPJ-UHFFFAOYSA-N 252.292 3.930 30 20 CHED Cc1ccc(C[C@H]2CCCN2CCCCC#N)cc1 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MZLQAWMXRGCWHX-QGZVFWFLSA-N 299.418 3.668 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2cccc(CC#N)c2)C1 455920075 NDNFQHKVMUAJTO-ZFWWWQNUSA-N 285.391 3.843 30 20 CHED CCC[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccccc1 457481626 FFWRURUDJMUZIH-OAHLLOKOSA-N 287.407 3.767 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)C[C@H]1CC 460369418 LRDJGXSTJVBUDU-RRFJBIMHSA-N 290.455 3.993 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccccc1Oc1ccccc1 464310905 LWQWKZSJMGYPPN-INIZCTEOSA-N 294.354 3.757 30 20 CHED C=C(C)CS[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 477012607 PYYBSTNRMAOUDV-REWJHTLYSA-N 269.454 3.625 30 20 CHED C=CCCC1(C(=O)NCc2cc(F)c(Cl)cc2F)CC1 477136517 KYNJXKWQKLOYNJ-UHFFFAOYSA-N 299.748 3.981 30 20 CHED C[C@@H](S[C@H](C#N)C1CCCCC1)C(=O)OC(C)(C)C 479724525 WLIXMJGFDGSWOR-DGCLKSJQSA-N 283.437 3.922 30 20 CHED C[C@H]1CN(Cc2ccc(F)cc2C#N)[C@H]1c1ccccc1 483072763 WJHREIFMOVFGNN-SCLBCKFNSA-N 280.346 3.890 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)c1cccc(C#N)c1 487265268 NMKRVUCMIWJZJH-ZDUSSCGKSA-N 270.376 3.647 30 20 CHED Cc1cc(C(C)(C)C)cc(C)c1Cn1cccc(C#N)c1=O 487993415 OIUFSQRQBSEGDG-UHFFFAOYSA-N 294.398 3.683 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(OC)c(Cl)c1 488581909 VOTYHFUZRPMXLP-UHFFFAOYSA-N 290.750 3.588 30 20 CHED C=CCn1cccc1C(=O)N(CC1CCCCC1)C1CC1 489061244 PPRLDJQQVMFCGJ-UHFFFAOYSA-N 286.419 3.859 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)c1ccc(F)c(F)c1 489800336 LTLICIULCLIFQE-LLVKDONJSA-N 281.346 3.787 30 20 CHED CN(CC(C)(C)C#N)C(=O)C[C@H]1CCCCC1(C)C 497399457 GASKJBVJOQXJOB-CYBMUJFWSA-N 264.413 3.601 30 20 CHED CC#CCCNC(=O)Nc1cccc(-c2cccs2)c1 497671739 ZNUHSDRNRDSXET-UHFFFAOYSA-N 284.384 3.950 30 20 CHED CC(C)[C@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1 501599421 ADDBOTQLXRBXCL-HNNXBMFYSA-N 276.355 3.579 30 20 CHED CC#CCCN(CCC)[C@@H](C)CC(=O)Nc1ccccc1 502952711 NQCMUYUPWBDWHC-INIZCTEOSA-N 286.419 3.529 30 20 CHED C=CCCCNc1ccc(F)cc1OC1CCOCC1 506218023 GPRAAZLIQRXPJN-UHFFFAOYSA-N 279.355 3.762 30 20 CHED C=C(C)CCc1noc(C[C@@H](C)c2cccc(OC)c2)n1 508592858 CKLPLPFVLMJUQX-CYBMUJFWSA-N 286.375 3.933 30 20 CHED C=C(CNC(=O)N1CCC[C@@H](C(C)C)C1)c1ccccc1 512664745 BAPYLVFQIWQIKM-QGZVFWFLSA-N 286.419 3.777 30 20 CHED C=C1CCN(Cc2cc(Cl)c(OC)c(OCC)c2)CC1 513460695 HLTVRFNVVSMAPH-UHFFFAOYSA-N 295.810 3.899 30 20 CHED Cc1ccc(F)c(CN(C)CCOc2cccc(C#N)c2)c1 513466896 LYBOCFWTGYALFM-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2cccc(OC)c2)no1 515491858 QJFJJUZRVKSPON-MRXNPFEDSA-N 272.348 3.523 30 20 CHED CC(C)Oc1ccc(CCNCC(C)(C)CCC#N)cc1 525181010 MXGGIODDJHUMIJ-UHFFFAOYSA-N 288.435 3.936 30 20 CHED Cc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)ccc1Cl 531581461 ORXCCEAIDZLJAK-MEDUHNTESA-N 290.794 3.851 30 20 CHED CCCOc1cccc(CN(C)Cc2cccc(C#N)c2)c1 534336679 UGHISQSCDRQSGA-UHFFFAOYSA-N 294.398 3.979 30 20 CHED C=CCN(C(=O)[C@H](C)CSc1ccc(F)cc1)C1CC1 536816655 USCDCIJOIXOGGJ-GFCCVEGCSA-N 293.407 3.731 30 20 CHED C=CCCO[C@@H](C)C(=O)NC1CC(C)(C)CC(C)(C)C1 537485345 AJJNGLGQRQZNRC-ZDUSSCGKSA-N 281.440 3.689 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1csc(CC)n1 539390827 AGSUNWODQRMBRK-GFCCVEGCSA-N 295.452 3.592 30 20 CHED CCC1(CNC(=O)NCc2cccc(C#N)c2)CCCCC1 545158795 NJTCFMSXRSPZAQ-UHFFFAOYSA-N 299.418 3.718 30 20 CHED Cc1nnc(SC[C@@H]2CCC[C@H](C)C2)c(C#N)c1C 546189134 VWAIUWDWURBXSQ-GXFFZTMASA-N 275.421 3.884 30 20 CHED C=CC[C@@H](CC)NCc1cnc(-c2ccccc2)nc1 547374513 SGXNADOYBNICAG-MRXNPFEDSA-N 267.376 3.588 30 20 CHED Fc1ccc(C#CCN2CC[C@H](c3ccccc3F)C2)cc1 549813505 PFUYZAUCCPECQE-INIZCTEOSA-N 297.348 3.806 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)c1cc(C#N)ccc1Cl 552073026 KZSPSICLYWINGR-CQSZACIVSA-N 290.794 3.910 30 20 CHED COc1ccccc1CCCOc1cc(F)cc(C#N)c1 554693272 IRFKIQQCTPFGOA-UHFFFAOYSA-N 285.318 3.718 30 20 CHED N#Cc1ccnc(N2CCC(Cc3cccc(F)c3)CC2)c1 557421155 ZGRKIUDEPLWAHP-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C=CCOCCSc1nc2cc(Cl)ccc2o1 558806740 FJIMEXHFSCGNJC-UHFFFAOYSA-N 269.753 3.776 30 20 CHED C=CCC[C@H](NCCN(C)[C@@H](C)CC)c1ccco1 560526934 JCRQIMVARNHYSQ-GJZGRUSLSA-N 264.413 3.607 30 20 CHED C=CC1CCN(C(=O)c2cccc(C3CC3)c2)CC1 566414237 YGEFEMMSWWOCBZ-UHFFFAOYSA-N 255.361 3.602 30 20 CHED C=CCCCCS(=O)(=O)Cc1c(C)cc(C)cc1C 571531627 UJTBRUVCBRYASH-UHFFFAOYSA-N 280.433 3.883 30 20 CHED N#C[C@H](NC(=O)c1cccc(C2CC2)c1)C1CCCCC1 571936583 AQWKZGOEBLMJAF-KRWDZBQOSA-N 282.387 3.766 30 20 CHED CC#CCCCc1nc(-c2cccc(C)c2F)no1 576146899 JXLDWFGKFVIUMO-UHFFFAOYSA-N 258.296 3.530 30 20 CHED N#C[C@@H]1CC[C@@H](NCCOc2cccc(Cl)c2Cl)C1 578287240 RVDKCQPQXIKSGJ-GHMZBOCLSA-N 299.201 3.654 30 20 CHED C=CCN(Cc1cc(C(=O)O)oc1C)CC1CCCCC1 579016706 YYDYCQAFIRRQBB-UHFFFAOYSA-N 291.391 3.855 30 20 CHED C=CC[C@@H]1N(c2nnc(CC(C)C)n2C)CCCC1(C)C 579886919 HTHPMXGNNUIRLR-AWEZNQCLSA-N 290.455 3.585 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1ccc(C#N)s1 588386687 WVUBGQRBCGJADA-FPLPWBNLSA-N 299.351 3.533 30 20 CHED N#Cc1cc(F)cc(OCC#Cc2cccc(Cl)c2)c1 588831685 LLZLOLLULRWWQP-UHFFFAOYSA-N 285.705 3.781 30 20 CHED COc1cc(-c2noc(CCCCCC#N)n2)ccc1C 589091464 CXMRWYRBQWQDLQ-UHFFFAOYSA-N 285.347 3.680 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)n1 589358463 VSQLVUPRHLEENF-MRXNPFEDSA-N 297.402 3.528 30 20 CHED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccnc(O)c1 590141616 WBKBCDJSQVAQQQ-NSHDSACASA-N 296.374 3.524 30 20 CHED N#Cc1ccc(OCCNc2cccc(Cl)c2)cc1 591697575 MBHRZAOZDHXYSN-UHFFFAOYSA-N 272.735 3.703 30 20 CHED COc1cc(C#N)ccc1OCCSCC1=CCCC1 592458279 LIEHQARLUBXMDJ-UHFFFAOYSA-N 289.400 3.789 30 20 CHED CC[C@@H](C#N)C(=O)NC(c1cccs1)c1cccs1 593477390 DLNQKRGPRGTKSX-JTQLQIEISA-N 290.413 3.565 30 20 CHED CC[C@H](C#N)C(=O)N1CC=C(c2cccc3ccccc23)C1 593590653 KURKYDPSCZQAQB-CQSZACIVSA-N 290.366 3.615 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)C[C@@H](CC)c1ccccc1 593615918 HLQQURWWCCKNIR-LSDHHAIUSA-N 272.392 3.578 30 20 CHED CC[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 595092457 VUVHJAHMVIBGBV-RTBURBONSA-N 292.382 3.992 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CC[C@@H]2C[C@@H]2C1 596510534 MFWNNPRNPUKZEC-GHMZBOCLSA-N 283.762 3.606 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(Cl)cc1SC 596968028 SIEPUNSBVNGWEL-JTQLQIEISA-N 297.811 3.876 30 20 CHED CC(C)CCn1cccc1CN1CCC[C@H](CC#N)C1 597173877 MMGCJCRRXJQETH-MRXNPFEDSA-N 273.424 3.660 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 597995463 QSJYYJOMKDWEQG-LBPRGKRZSA-N 288.778 3.640 30 20 CHED CC[C@H](CC(=O)N(CC)[C@@H](C)C#N)c1ccc(C)cc1 598358995 IJOORWSOJXXHIC-LSDHHAIUSA-N 272.392 3.639 30 20 CHED COCCNc1ccc(-c2sccc2C)cc1C#N 600778145 UHWWJENCIFQZGX-UHFFFAOYSA-N 272.373 3.654 30 20 CHED CC(C)(C#N)CCSCc1cccc2c1CCOC2 601055017 HMQXAGNDNHCJHC-UHFFFAOYSA-N 275.417 3.932 30 20 CHED CC[C@@H](NCc1ccc(C)o1)c1ccc(C#N)cc1 601303064 BSOJQWLTOOGDBE-MRXNPFEDSA-N 254.333 3.701 30 20 CHED Cn1nccc1CCSCCC1(C#N)CCCCC1 601920119 RTDQFDYBZSVKFQ-UHFFFAOYSA-N 277.437 3.560 30 20 CHED CCCCN(C[C@@H](C)CCC#N)CC(F)(F)F 602449000 XUDALAIRYNGGOD-NSHDSACASA-N 250.308 3.591 30 20 CHED Cc1ccc(-c2ccnn2C)cc1NC[C@H](C)CCC#N 602650569 YLSPUDAPTZHFHV-CYBMUJFWSA-N 282.391 3.747 30 20 CHED CC(C)(C)c1csc(CC2CCN(CCC#N)CC2)n1 602893714 SXLIGFPIBGJYRI-UHFFFAOYSA-N 291.464 3.609 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)c1ccco1 607448711 CDURPIRIWGFTKG-LBPRGKRZSA-N 275.373 3.659 30 20 CHED C=CCOCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H](C)CC 607582519 MHUMRFVDCWLTHE-LRDDRELGSA-N 295.810 3.746 30 20 CHED Cc1c(C(=O)N[C@H](C#N)CC(C)C)oc2c(C)cccc12 608825226 XZPXKPVXGSREMU-ZDUSSCGKSA-N 284.359 3.718 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C1(c2cccc(C)c2)CCCC1 608852749 DTDXXJMYUGKACI-MRXNPFEDSA-N 298.430 3.815 30 20 CHED N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)cc1 609177239 WDNUUNRVOVSFEJ-GOSISDBHSA-N 290.366 3.829 30 20 CHED N#Cc1cccc(NCc2cccc(Cl)c2Cl)n1 609892083 IHZUVPBXYLEESQ-UHFFFAOYSA-N 278.142 3.872 30 20 CHED N#Cc1cc(F)ccc1N1CCCO[C@H](c2ccccc2)C1 610278886 MKBXHOMLKLLWPG-SFHVURJKSA-N 296.345 3.665 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(OCC3CC3)cc2)C1 616731786 NHGBFEKLBGWPNM-SFHVURJKSA-N 284.403 3.601 30 20 CHED CC(C)(C)[C@@H]1CN(c2ccc(C#N)nn2)c2ccccc21 618174604 SOFKMDBCPTXCPW-CQSZACIVSA-N 278.359 3.630 30 20 CHED C=CCCOCC(=O)N(Cc1cccc(Cl)c1)C(C)C 620328200 NEKXLUPQKKKCAJ-UHFFFAOYSA-N 295.810 3.670 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(-n2cc(C)cn2)cc1 620861756 YGOMTHLPYCCQBR-UHFFFAOYSA-N 297.402 3.655 30 20 CHED C=CCC1(NCC2CC(OCC)C2)CCCCC1 625934622 UPIXXUSSAOFDRB-UHFFFAOYSA-N 251.414 3.670 30 20 CHED C=CCCN(C)C(=O)CCc1ccccc1C(F)(F)F 632702918 IBRFEBLUPFWVAC-UHFFFAOYSA-N 285.309 3.673 30 20 CHED C=CCC(C)(C)c1noc(CN(C)c2ccccc2)n1 645622420 LOUJTDNTEYDHBG-UHFFFAOYSA-N 271.364 3.560 30 20 CHED C=CC[C@H](CC)NCc1cc2cc(Cl)cnc2o1 648566508 PEWHRWOVYJIGEC-LBPRGKRZSA-N 264.756 3.926 30 20 CHED FC1(F)CC12CCN(CC#Cc1ccc(Cl)cc1)CC2 649775857 YICVGDGKRPMNTD-UHFFFAOYSA-N 295.760 3.813 30 20 CHED C=CCCC(C)(C)NCc1cc(OC)c(OC)c(OC)c1 657804703 BQHJKHFROHTIEB-UHFFFAOYSA-N 293.407 3.547 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC1CCC(O)(CC)CC1 657911006 ZGLXOXUUGDLSAW-KZYLPZIUSA-N 265.441 3.795 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cccc2cccnc12 663854458 QFOWPEADQDHKKK-UHFFFAOYSA-N 297.402 3.779 30 20 CHED C=CCCNC(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 665941290 WUXCIVBKOVDFRR-IJEWVQPXSA-N 272.392 3.539 30 20 CHED C=CCCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 665945266 DJMYZWGORKVNBP-TZMCWYRMSA-N 276.380 3.647 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1ccsc1 669876683 LOHMYBQHJVNNME-NEPJUHHUSA-N 266.410 3.853 30 20 CHED C=CCN(C)CCCc1ccc(C(F)(F)F)cc1 681695663 IYJXEXYEBUPBAG-UHFFFAOYSA-N 257.299 3.756 30 20 CHED CCn1ccc(CN(C)CC#Cc2ccc(Cl)cc2)c1 683031304 UOUDBQMEUMLPFI-UHFFFAOYSA-N 286.806 3.645 30 20 CHED CC#CCCCC(=O)N1CCCCc2sccc21 684784435 FYWRGXXPTYGNOD-UHFFFAOYSA-N 261.390 3.611 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1c(C)nc2ccccc2c1C 684938485 BMXIAVLDLDAMFW-OAHLLOKOSA-N 296.414 3.865 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc(Cl)s1 695789734 WTMUBGQEXRWBRH-SECBINFHSA-N 256.802 3.819 30 20 CHED C#C[C@H](CCC)NC(=O)CCSc1ccc(Cl)cc1 700589694 PXPPVVLGXBWHKV-CYBMUJFWSA-N 295.835 3.740 30 20 CHED N#Cc1ccccc1OCc1cccnc1C(F)(F)F 704174701 ONAIPGUEFLEIHG-UHFFFAOYSA-N 278.233 3.551 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C/c1cccs1 713734941 QIXHILKOHWSNCC-ZHACJKMWSA-N 283.396 3.976 30 20 CHED CCc1ccc([C@H](C)C(=O)OCc2ccccc2C#N)cc1 727916771 NLUSLJWWIOZQIV-AWEZNQCLSA-N 293.366 3.968 30 20 CHED CC1CCC(=NNCCCOc2ccccc2)CC1 729150390 UZRTXXDRXHQPQG-UHFFFAOYSA-N 260.381 3.611 30 20 CHED C[C@H]1CCC[C@@H]1NC(=S)Nc1ccc(C#N)c(Cl)c1 729648743 SLAHREQCGRVDAR-ZANVPECISA-N 293.823 3.687 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccccc1F)CC2 730947651 BKHJXHDPHVVMTJ-UHFFFAOYSA-N 254.308 3.897 30 20 CHED C#CCN(CC)C(=O)CC1CCC(c2ccccc2)CC1 730965945 MCYXHDWYXLZHLD-UHFFFAOYSA-N 283.415 3.832 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cn(-c2ccccc2)nn1 733749111 DEHWAFYTWJRUBW-FPLPWBNLSA-N 295.367 3.533 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccccc1-n1cncn1 733749774 YIUKGZCUJHYZHK-SREVYHEPSA-N 295.367 3.533 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 733758756 SXMPEWOCOZVQFX-ZJIFWQFVSA-N 281.440 3.667 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@H]1CCc2ccccc21 734427649 TVRTVOZDJORDEN-MRXNPFEDSA-N 284.403 3.505 30 20 CHED CCCCCCCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 735057174 DYEWWPZJIWTRHB-GDBMZVCRSA-N 264.413 3.936 30 20 CHED COc1cccc(/C=N/[C@H]2CSc3ccccc32)c1O 735414774 LDDBMFMEIKDGSW-YRUBURHZSA-N 285.368 3.667 30 20 CHED C=CCCCCCN(C)C(=S)NCCc1cccs1 739457880 MQLCCUWEKDIQPM-UHFFFAOYSA-N 296.505 3.843 30 20 CHED C=C(C)CNC(=S)Nc1ccc(CC(F)(F)F)cc1 741493417 RARPHDVCWQATJP-UHFFFAOYSA-N 288.338 3.654 30 20 CHED COCc1ccc(C=NNc2c(F)cccc2F)cc1 741763108 AIZSVYLYMNMNKS-UHFFFAOYSA-N 276.286 3.557 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1ccc(C)cc1C 741765648 AYBCQAWHMOQZIR-UHFFFAOYSA-N 288.782 3.891 30 20 CHED Cc1nc(Cl)cc(NN=C2CCCCCCC2)n1 741766027 MNOUGFFCHIPXNM-UHFFFAOYSA-N 266.776 3.951 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 742436110 GFOLHZCPBFPSRG-BAQGIRSFSA-N 295.294 3.521 30 20 CHED C=CCOCCCC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 742581359 BCULQQLHZPFZKU-HZPDHXFCSA-N 295.467 3.938 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/CCOC1CCC1 743044509 KRMXYJXWGCOVSY-LZYBPNLTSA-N 288.174 3.687 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 743084305 MAJJMTXBOKFISQ-SJORKVTESA-N 282.387 3.758 30 20 CHED CN1N=C(C2CCCC2)CS/C1=N/Cc1ccccc1 743277225 MCTCPMVTQAOWBJ-WUKNDPDISA-N 287.432 3.767 30 20 CHED Cc1cccc2c1CCC2=NNc1ccc(Cl)nc1 743450832 RJYHQOOJMSLAHL-UHFFFAOYSA-N 271.751 3.806 30 20 CHED C[C@@H](NCc1nccc2ccccc12)c1ccc(C#N)cc1 743475525 RXLLCNUJUJEWEE-CQSZACIVSA-N 287.366 3.957 30 20 CHED C#CCN(C(=O)C[C@H]1CCCC[C@H]1C)C1CCCCC1 743689763 AKSJDGCAKVWIDU-HZPDHXFCSA-N 275.436 3.997 30 20 CHED Cc1c(Br)cccc1C(=O)OCCCCC#N 744138774 FIUGZXGDKJBBJR-UHFFFAOYSA-N 296.164 3.608 30 20 CHED CC(=NNc1oc(CC(C)C)nc1C#N)c1ccccc1C 745613995 UXYJQDKIRCCRHB-UHFFFAOYSA-N 296.374 3.889 30 20 CHED S=C(NN=C1CCc2ccccc2C1)Nc1ccccc1 745843425 HOHOSNABWPDVDT-UHFFFAOYSA-N 295.411 3.518 30 20 CHED C[C@H]1CC(=NNc2cnc3ccccc3n2)C[C@H](C)C1 747751924 TWYLTOQCQQZLNP-VXGBXAGGSA-N 268.364 3.854 30 20 CHED Cc1ccnc(NN=C/C=C/c2ccc(F)cc2)c1 747763406 DGPMTDPEZZWXAP-TVGQLZHESA-N 255.296 3.640 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C\c2ccccc2O)C1 749007894 NTAOGBVMDBFOOT-FWUQKTEZSA-N 263.406 3.875 30 20 CHED COc1ccsc1/C=C1\Cc2c(F)ccc(F)c2C1=O 749591017 PBUPFEQLYRGQGR-BQYQJAHWSA-N 292.306 3.857 30 20 CHED Cc1cc(C)cc(NN=C2C(=O)Nc3c(C)ccc(F)c32)c1 750931937 WKMHDIISONPASL-UHFFFAOYSA-N 297.333 3.519 30 20 CHED CCCCCCCC(=O)Nc1cn(C)nc1C(F)(F)F 752820447 GCVISKGISJHVQG-UHFFFAOYSA-N 291.317 3.738 30 20 CHED CCCc1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)cc1 753005248 ULIQQYGQSGIZEJ-UHFFFAOYSA-N 299.761 3.811 30 20 CHED C[C@@H]1CC/C(=C\C(=O)Nc2ccc(Cl)c(C#N)c2)C1 753577276 MGISLHUJIVIGHL-UEUZTHOGSA-N 274.751 3.897 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(Cl)cc1SCC 754368620 MLSFOZPLZADIIV-NSHDSACASA-N 281.808 3.594 30 20 CHED Cc1cccc(C)c1/C=C\C(=O)c1cccc(O)c1 755578529 FLDSOVKZTNPJRO-KTKRTIGZSA-N 252.313 3.905 30 20 CHED CC(C)CC(=NO[C@@H]1CCCCO1)c1ccccc1 755816818 WLEKLMNKVKFAQE-MRXNPFEDSA-N 261.365 3.980 30 20 CHED CC(=NNc1ncnc2sc(C)c(C)c12)c1ccoc1 755879315 FDRXNCKFWRZKKG-UHFFFAOYSA-N 286.360 3.737 30 20 CHED COc1cccc(/C=N\[C@H]2CCc3c(OC)cccc32)c1O 759641110 BJGWRWPZQVNQFZ-VUQQOUJSSA-N 297.354 3.516 30 20 CHED C=CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1 759781350 FXBYVNZRAVNNHY-PKNBQFBNSA-N 298.773 3.967 30 20 CHED C#CCC(C)(C)COC(=O)c1nc(-c2ccccc2)oc1C 760272285 CZBCLSYBMQGSIM-UHFFFAOYSA-N 297.354 3.856 30 20 CHED CC#CCCOC(=O)c1cc(F)c(Cl)cc1Cl 760292215 PMHPVPHUKVORGO-UHFFFAOYSA-N 275.106 3.703 30 20 CHED COCCC1(CNc2nc3ccccc3cc2C#N)CCC1 760479330 ADUZEVZZQQYJCD-UHFFFAOYSA-N 295.386 3.725 30 20 CHED CCC1(CC)C(=NNc2nc3ccccc3[nH]2)C[C@@H]1OC 762605070 TUTMEZQGMZDUEG-AWEZNQCLSA-N 286.379 3.556 30 20 CHED CCC(=NNc1cc(C)ncn1)c1cccc(Cl)c1F 763405354 DGWBGUMEELFSRY-UHFFFAOYSA-N 292.745 3.804 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccc(OC)cc1)OCC 764428295 QUCPOTRUXGIEOK-BBRMVZONSA-N 292.375 3.671 30 20 CHED FC(F)C1CC(=NNCc2ccc(C(F)(F)F)cc2)C1 766017474 RLHSURCKKQJTES-UHFFFAOYSA-N 292.251 3.826 30 20 CHED Cc1cccc(F)c1CNc1nc2c(cc1C#N)CCCC2 766414185 DHJXYLFNOWNMBD-UHFFFAOYSA-N 295.361 3.892 30 20 CHED C#CCCCCCC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 766597204 SKHGIADDHVRRPO-AWEZNQCLSA-N 295.382 3.677 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(Cl)nc2)CCCC1(C)C 767217618 AXEVBEUVDQBRFE-CYBMUJFWSA-N 292.810 3.942 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C)cn2)CCCC1(C)C 767218374 GTMBDHXEYPDXSI-OAHLLOKOSA-N 272.392 3.597 30 20 CHED CC(C)Oc1ccc(NC2CC(C(F)F)C2)cc1C#N 769546924 IODYIRFDZGLFHU-UHFFFAOYSA-N 280.318 3.801 30 20 CHED Clc1cccc(Cl)c1NN=C1CCCOCC1 770616281 VDLDLZOZEWPHSE-UHFFFAOYSA-N 273.163 3.962 30 20 CHED C=C(CC)COC(=O)[C@H](C)Cc1ccccc1F 773513546 FYEBOXVHSCOZGQ-GFCCVEGCSA-N 250.313 3.514 30 20 CHED C(CSCc1ccccc1)=Nn1cnc2ccccc21 774364780 RRURTGZLPZJUOL-UHFFFAOYSA-N 281.384 3.804 30 20 CHED CCC(CC)NN=Cc1cc(-c2ccncc2)ccc1OC 774387071 NYAYTXJUTWPHMY-UHFFFAOYSA-N 297.402 3.869 30 20 CHED CCCCCCCC(=O)OCc1cc(C)sn1 774774882 QLMDTUKASMMOID-UHFFFAOYSA-N 255.383 3.855 30 20 CHED C=C(C)[C@H](NC(=O)N1CCCCC1)c1ccc(F)c(F)c1 775406098 NQOCOUVXRVDXGF-HNNXBMFYSA-N 294.345 3.778 30 20 CHED COc1nc2ccccc2cc1/C=C\C(=O)c1cscn1 776193156 WSAMWHWVLHAVQB-SREVYHEPSA-N 296.351 3.596 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCO[C@@H](C(C)C)C1 776767317 QBASRVCQRDZTJT-OAHLLOKOSA-N 291.351 3.506 30 20 CHED Cc1ccc(-c2noc(Cc3ccccc3CC#N)n2)cc1 776802156 CRXAAYLUPMFNEJ-UHFFFAOYSA-N 289.338 3.702 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@H]1CCCOC1 777077015 XLTDOCCSSKGOBF-ZDUSSCGKSA-N 292.400 3.548 30 20 CHED Cc1ccc(OCc2ccc(C#N)cc2F)c(Cl)n1 777542218 PCQYILVRSQTSME-UHFFFAOYSA-N 276.698 3.633 30 20 CHED COC[C@H](C)NN=Cc1ccc(F)c(-c2cccs2)c1 777900643 DTFZCLCQCXGFAR-NSHDSACASA-N 292.379 3.513 30 20 CHED C=CCC[C@H](C(=O)OCC[C@@H]1CCCO1)c1ccccc1 778666072 KDFSTCUTSPRYES-IRXDYDNUSA-N 288.387 3.849 30 20 CHED C#CCCCCCC(=O)N[C@@H](CC)c1ccccc1 779806545 ZYMVADPMWGNNEF-INIZCTEOSA-N 257.377 3.838 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)Oc2cc(C)ccc21 779974418 YPUZAIQQKPZDNS-HNNXBMFYSA-N 285.387 3.693 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)CCC1CCC1 780040475 ZAXYSXHTDLWCEM-UHFFFAOYSA-N 277.751 3.835 30 20 CHED C#CCCCCCC(=O)OCc1ncc(C(C)(C)C)o1 780264770 RYKJFRXQQPMFCP-UHFFFAOYSA-N 277.364 3.599 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ncncc1Cl 780282111 CPLSHIMDPNFLFL-GHMZBOCLSA-N 264.760 3.520 30 20 CHED C=CCC(CC=C)C(=O)OCCCc1ccsc1 782678484 YQZFVQUPIZPREG-UHFFFAOYSA-N 264.390 3.992 30 20 CHED C=CCCCCCOc1ccc(N(C)C(C)=O)cc1 783023281 IADXFHAVZBAMRP-UHFFFAOYSA-N 261.365 3.795 30 20 CHED Oc1nc2ccccc2cc1/C=N\C[C@@H]1CCCCS1 783682198 TUNHFSOZSYSULQ-XGHPXPSOSA-N 286.400 3.645 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2cn[nH]c2)c1 785618569 YECLCVBNBVIDCH-MRXNPFEDSA-N 269.348 3.618 30 20 CHED CC(C)CC(=NOC[C@H]1CCOC1)c1cccs1 788032114 NHXUEEVZHOJGPG-LBPRGKRZSA-N 267.394 3.551 30 20 CHED COc1cccc(C=NOc2ccccc2C(F)(F)F)n1 790170494 AUNKBHHCVZQBTN-UHFFFAOYSA-N 296.248 3.522 30 20 CHED C=CCCCC(=O)OCc1cc(OC)ccc1Cl 791398287 DCQFBQAEIRGYNT-UHFFFAOYSA-N 268.740 3.748 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1cnc2ccccc2n1)C(C)(C)C 792099981 KPZBLJNMFVCEQH-CNELAYHGSA-N 293.370 3.798 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cccc(F)c1 793175127 OQBKWGWSGNHJQQ-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C=CCCCCCCNC(=O)c1ncccc1Cl 794509363 BDEFVYGTXWVMGV-UHFFFAOYSA-N 266.772 3.601 30 20 CHED FC(F)c1ccc(C=NOCC(F)(F)F)cc1 794524061 UONXAIPXZNMISB-UHFFFAOYSA-N 253.170 3.537 30 20 CHED NC(=NOCc1cccc(C(F)F)c1)c1cccs1 794716775 ZXFYBRHLOMAJRG-UHFFFAOYSA-N 282.315 3.523 30 20 CHED COCCN(C)N=C1CCC[C@@H]1c1ccccc1Cl 794968460 PTFRHGWBZOWIQI-CYBMUJFWSA-N 280.799 3.542 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Oc1ccc(C#N)cc1F 796828504 ULHRGOVQJIORHJ-OLZOCXBDSA-N 275.323 3.819 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1ccc(F)cc1F 796893785 RCOZSEVQEJBDMC-OTYXRUKQSA-N 267.275 3.509 30 20 CHED C=CCC(C)(C)C(=O)O[C@H](C)c1ccc(Cl)cn1 797125795 DDOIAOJKQLSVMN-SNVBAGLBSA-N 267.756 3.942 30 20 CHED C=CCOCCOC(=O)[C@@H](CC(C)C)c1ccccc1 797309610 IDBUCVUFOWNDTH-INIZCTEOSA-N 276.376 3.562 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNc1nc(O)c2ccccc2n1 797401213 FUVPYJNRWGYNAZ-NEPJUHHUSA-N 298.390 3.950 30 20 CHED CCC(=NNc1ncnc(Cl)c1C(C)C)C1CC1 797403845 AZRBDDREGWLQTP-UHFFFAOYSA-N 266.776 3.841 30 20 CHED C#C[C@H](NC(=O)C1(c2cccc(C)c2)CCCC1)C(C)C 799046220 FFVDFVBTJUDTAE-KRWDZBQOSA-N 283.415 3.581 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc3c(c2)OC2(CCCC2)O3)C1 799722402 ODJREOSMZLMXHL-OLZOCXBDSA-N 284.359 3.832 30 20 CHED CC#CC(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1 801162378 PLWFOKNDAMUGLL-UHFFFAOYSA-N 296.395 3.569 30 20 CHED C[C@H](C#N)OCCNc1ccccc1COc1ccccc1 802741856 UOQGTZADZUKHJX-OAHLLOKOSA-N 296.370 3.606 30 20 CHED C=CCCOC(=O)[C@H](C)Cc1cncc2ccccc12 805679767 WKEDWPAANICZQP-CYBMUJFWSA-N 269.344 3.533 30 20 CHED CCCCCCCCN1CCC[C@H](CCNC(C)=O)C1 805822996 VFLACTKOOAOYDH-QGZVFWFLSA-N 282.472 3.585 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2nc(C)sc2c1 806130881 DPXJVYYDSLKFDC-NSHDSACASA-N 287.388 3.528 30 20 CHED C[C@H]1CCC(=NNc2nccnc2C2CCC2)[C@@H](C)C1 807992095 ZGGAKEJLDKYWGY-RYUDHWBXSA-N 272.396 3.968 30 20 CHED CCCCCOc1ccc(C=NN[C@H]2CCSC2)cc1 808003159 JSMRREPFVSBURP-HNNXBMFYSA-N 292.448 3.685 30 20 CHED C#Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 809616425 XNUXMJZMHYTDOZ-GOSISDBHSA-N 265.331 3.584 30 20 CHED C#C[C@@H](NCc1cnc(C2CCC2)s1)C(C)(C)C 809781628 XNNDQNVTEQRHHI-CYBMUJFWSA-N 262.422 3.548 30 20 CHED C=CCCc1ccccc1NC(=O)NOC/C=C\Cl 810235565 QWDQBMBNJVRMCE-POHAHGRESA-N 280.755 3.611 30 20 CHED C#Cc1ccccc1CC(=O)N1CCCC[C@H]1CC(C)C 810524738 NKEVPIROQKDIES-SFHVURJKSA-N 283.415 3.638 30 20 CHED C#C[C@H](CCC)NC(=O)CCCc1ccccc1Cl 810700427 BSQUHVVNCSQGFY-CQSZACIVSA-N 277.795 3.581 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 812017850 JZFKTAPEUVBBBZ-UWVGGRQHSA-N 299.201 3.718 30 20 CHED C#CCON=C(C)C(c1ccccc1)c1ccccc1 812233975 LCSVFHWJLWHVSC-UHFFFAOYSA-N 263.340 3.844 30 20 CHED CCCCCCCC(=O)NCc1ccc2cnn(C)c2c1 812584626 SRNBYLGRZNACOL-UHFFFAOYSA-N 287.407 3.550 30 20 CHED CCCCCCCCNC(=O)NCC1CC(F)(F)C1 813695710 YKQZQCRHZSBDJG-UHFFFAOYSA-N 276.371 3.691 30 20 CHED Fc1ccccc1NN=C1COc2ccc(Cl)cc21 814790392 SRLHOVIQCQTWMM-UHFFFAOYSA-N 276.698 3.688 30 20 CHED Cc1ccc(NN=Cc2c(C)c3ccccc3n2C)nc1 814831599 ITTVAQGYNOVZKE-UHFFFAOYSA-N 278.359 3.636 30 20 CHED Fc1cccc(F)c1NN=C1COc2cccc(Cl)c21 814852821 QHOZDZMOKLENIZ-UHFFFAOYSA-N 294.688 3.827 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NOCCSC 814922155 WYXAUDPNHVBJKI-GDBMZVCRSA-N 293.432 3.705 30 20 CHED CCOC(=O)c1ccc(NN=C2CC[C@H]2C2CC2)cc1C 814935046 LBWVUGGDRKHUSG-HNNXBMFYSA-N 286.375 3.760 30 20 CHED C[C@H]1C(=NNCC2(C)CCCC2)CC[C@H](C(=O)O)C1(C)C 814937982 SWFLPVJEEMEXEF-QWHCGFSZSA-N 294.439 3.669 30 20 CHED CCOc1ccc(NN=C2CC(C(F)F)C2)cc1 814985452 HCBVFQMVHMLAGG-UHFFFAOYSA-N 254.280 3.528 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccnc(-c2ccccc2)c1 815555864 JGKJLRUBVCCMHM-UHFFFAOYSA-N 288.297 3.899 30 20 CHED C[C@@H]1CC[C@@H](C)[C@H](OC(=O)c2ccc(C#N)s2)C1 816224227 CGEGLVOHDGMKGQ-CKYFFXLPSA-N 263.362 3.601 30 20 CHED CCC(C)(C)NC(=S)N(C)[C@@H](C)c1cccc(C#N)c1 819028735 PLPCSTRHNYBWSZ-LBPRGKRZSA-N 289.448 3.614 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1ccc(N(C)C)cc1 819815574 BOQPWGXREHTACI-AWEZNQCLSA-N 296.418 3.613 30 20 CHED O=C(NO)C1(c2ccc(Cl)cc2Cl)CCCCC1 819843190 VTZMPYTVANKOIT-UHFFFAOYSA-N 288.174 3.701 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1nccn1-c1ccccc1 820872331 QMDGTUPHRUTKAT-UHFFFAOYSA-N 284.359 3.518 30 20 CHED C#CCN(C(=O)c1ccsc1Cl)C1CCCCC1 824326130 YRAZZURQLYISKI-UHFFFAOYSA-N 281.808 3.810 30 20 CHED C=CCC(F)(F)C(=O)NC1(Cc2cccc(Cl)c2)CC1 837042054 XYQODQYHCLAZCO-UHFFFAOYSA-N 299.748 3.743 30 20 CHED Cc1ccc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)cc1C#N 837192137 QZSMOEWZSAKEAU-QGZVFWFLSA-N 296.414 3.908 30 20 CHED C=CCC1(C(=O)OCC2CC(OCC)C2)CCCCC1 838154303 SFNCJBGSVQVPTK-UHFFFAOYSA-N 280.408 3.871 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@H](C3CCC3)C2)cc1 840977298 HCAJPKLZRRUTSF-PBHICJAKSA-N 284.403 3.599 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1cnn(C(C)C)c1)C2 841486187 BHFDMHFIZIJKFK-CHHVJCJISA-N 266.344 3.595 30 20 CHED C=C(C)CON=C1CCC[C@@H](c2ncccc2C)C1 844618177 KPZRUVKVTDMWQR-CQSZACIVSA-N 258.365 3.996 30 20 CHED C[C@@H](C(=O)OCC1(C#N)CCC1)c1ccc(Cl)cc1 845332421 PQAYZNBAQAQJMH-LLVKDONJSA-N 277.751 3.681 30 20 CHED Cc1ccnc(NCCC[C@@H]2CC2(Cl)Cl)c1C#N 845746452 LMZUYBJTIHVIPM-SNVBAGLBSA-N 284.190 3.648 30 20 CHED CC[C@@H](COCC(F)(F)F)Nc1ccc(C#N)cc1C 846752258 FSQCXPNXLQWZEP-LBPRGKRZSA-N 286.297 3.636 30 20 CHED C=C(C)CCOC(=O)c1ccc(C(F)F)cc1F 847654914 WTENMUXGMPOPPK-UHFFFAOYSA-N 258.239 3.886 30 20 CHED FC(F)(F)c1cccnc1NN=C[C@H]1CC1(Cl)Cl 853289728 NDJJPBXMVLCPLQ-ZCFIWIBFSA-N 298.095 3.692 30 20 CHED C=CC[C@H]1CCCN(Cn2nc(C3CC3)sc2=S)C1 853536321 AFSXWJFWDBWUTM-NSHDSACASA-N 295.477 3.797 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)c2ccc(C)o2)C1 855438172 BZKLKVJMRVXVBZ-KGLIPLIRSA-N 261.365 3.506 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N(C2CC2)[C@H](C)C#N)cc1C 855584673 VBHBATMGCKCTER-SBJJXXPASA-N 282.387 3.528 30 20 CHED CCC[C@H](C(=O)O[C@@H](C)C#N)c1cccc(Cl)c1 859803927 JIGQDAKEUROLOX-GWCFXTLKSA-N 265.740 3.679 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCc1cccc2ccccc12 865164631 KZNSNZSJZSAFMX-AWEZNQCLSA-N 280.371 3.533 30 20 CHED N#CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 865931856 KLNUXELIKIYGBK-SNVBAGLBSA-N 295.289 3.662 30 20 CHED C=CCN(CC(=O)O)Cc1c(C)ccc2cc(C)ccc12 872159615 LGLKZVZNHOSFDH-UHFFFAOYSA-N 283.371 3.529 30 20 CHED C[C@H](C#N)OCCN1CCCSc2cc(Cl)ccc21 879136944 DZLGZEHCUHPCHN-LLVKDONJSA-N 296.823 3.571 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CCC(F)CC1 882806672 MALHZFMXIMQFQY-UHFFFAOYSA-N 289.741 3.698 30 20 CHED C=C1CC(c2noc(C[C@]3(C)CC3(Cl)Cl)n2)C1 896876330 DMVISIQAKPQGMY-LLVKDONJSA-N 273.163 3.630 30 20 CHED N#Cc1cc(Cl)ccc1NCCOC1CCSCC1 897515644 XLQYXJSNEIQOGH-UHFFFAOYSA-N 296.823 3.536 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C(F)=C(\C)C1CC1 900359230 REXTUIWMSZDWKN-GDNBJRDFSA-N 288.322 3.549 30 20 CHED Cc1ccccc1OCCSCc1cc(C#N)ccn1 901736881 YDNTWMYYVBRGPB-UHFFFAOYSA-N 284.384 3.574 30 20 CHED CC(=O)c1cc(F)ccc1NCCCC(C)(C)C#N 902225117 OGJKCPFHMUPNKV-UHFFFAOYSA-N 262.328 3.770 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2ccsc2C#N)C1 907922497 XYBITAKDZPHALU-NSHDSACASA-N 276.405 3.518 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CC1(Cl)Cl 913879300 IMGIPAAAMCMDHM-JTQLQIEISA-N 266.212 3.657 30 20 CHED CCCCCCCC(=O)NC[C@@H](C)N1CCCC[C@@H]1C 915298392 LYVHETLVPUKONY-JKSUJKDBSA-N 282.472 3.726 30 20 CHED CCCNN=C(C)c1ccc2cc(OC)ccc2c1 915965358 NGVJPSJERQJXPJ-UHFFFAOYSA-N 256.349 3.572 30 20 CHED CC(=NNC(=S)N[C@H]1CCCC[C@H]1C)c1cccs1 916277647 OGOHRJBITUTJHH-PWSUYJOCSA-N 295.477 3.515 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1ccccn1 916339570 QSTUAKHSURRBJR-UHFFFAOYSA-N 253.349 3.843 30 20 CHED C=C(C)COC(=O)CCSc1ccc(Cl)cc1 916587112 ZXRHJOQOUJFKAW-UHFFFAOYSA-N 270.781 3.942 30 20 CHED N#CCCCOC(=O)CCSc1ccccc1Cl 916599550 TYJQGLLHGAXYBH-UHFFFAOYSA-N 283.780 3.669 30 20 CHED C=C(Cl)COC(=O)CCc1ccccc1Cl 916616650 JDFUTBZKZWXNAA-UHFFFAOYSA-N 259.132 3.568 30 20 CHED CC(C)(C)n1cc(C=NNc2cccc3c2CCCC3)cn1 917553392 WRVQXUVBRLFPMA-UHFFFAOYSA-N 296.418 3.963 30 20 CHED COc1cccc([C@@H](C)/N=C/c2ccccc2O)c1 917558563 QOWTVQFSYCGRCV-PBSOMRJOSA-N 255.317 3.581 30 20 CHED Oc1cccc(/C=N\Cc2cccc(C(F)(F)F)c2)c1O 920942125 MLQVZKDSXJDKST-OCKHKDLRSA-N 295.260 3.736 30 20 CHED N#CCCCCOC(=O)C(F)(F)c1cccc(Cl)c1 921098244 STVRFZYOEBBHFV-UHFFFAOYSA-N 287.693 3.669 30 20 CHED C=CCC(F)(F)c1nc(Cc2ccc(Cl)nc2C)no1 924238393 AQPXQWQUWUCBCO-UHFFFAOYSA-N 299.708 3.685 30 20 CHED CC[C@@H](N[C@H](c1cnn(C)c1)C(C)C)c1ccc(C#N)cc1 927071743 UKLWWDAYMLPOQX-MSOLQXFVSA-N 296.418 3.730 30 20 CHED C=C[C@H](CC)CC(=O)NCCc1nc2ccccc2s1 929475763 YRBAIIKXBRGVFY-GFCCVEGCSA-N 288.416 3.557 30 20 CHED C[C@H](c1ccncc1)N(C)CCCCC1(C#N)CCC1 930119737 RGPJKMCUOODBCC-OAHLLOKOSA-N 271.408 3.939 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)NC)cc1C 1115875775 ZVFPSSYSZFPREF-UHFFFAOYSA-N 290.407 3.654 30 20 CHED N#CCOc1ccc(NCc2cnc(C3CC3)s2)cc1 1116280668 XJDVCVOAUCTUNJ-UHFFFAOYSA-N 285.372 3.535 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1cc2ccccc2[nH]1 1117753574 SFMRFTLMMGDPOK-UHFFFAOYSA-N 270.376 3.729 30 20 CHED Cc1cc(C#N)ccc1N[C@H](C)C[C@@H](O)c1cccs1 1120033821 UDSDGMLAEJKGIJ-IUODEOHRSA-N 286.400 3.852 30 20 CHED N#CCc1cccc(NC(=O)c2ccc3ncsc3c2)c1 1129088253 GULBTOGPYTWZIK-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C[C@H]1CN(c2cccc(C#N)n2)CCc2ccc(Cl)cc21 1150929218 OCAQDSOOIOKDHM-LBPRGKRZSA-N 297.789 3.773 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)cs1 1261253658 KGUMXRRMNVVUBX-OAHLLOKOSA-N 288.416 3.805 30 20 CHED Cc1ccc(C(=O)N2CCC[C@]2(C)CC(C)C)cc1C#N 1261336018 QKTCNZSDGQZULI-GOSISDBHSA-N 284.403 3.908 30 20 CHED Cc1cc(SCC(=O)c2cccs2)ccc1C#N 1307362728 WPBGBWCTVBAFLJ-UHFFFAOYSA-N 273.382 3.903 30 20 CHED C=CCN(C)Cc1ccc(OC(F)F)cc1OC(F)F 1320776617 ZFDQPSYKSRLLHS-UHFFFAOYSA-N 293.260 3.507 30 20 CHED N#Cc1ccccc1/C=C\c1nnc(CC2CCCC2)o1 1322390326 PHSOLODKWLPMBY-KTKRTIGZSA-N 279.343 3.844 30 20 CHED C(#Cc1nnc(-c2cc3c(s2)CCC3)o1)c1ccccc1 1327040800 USEIRTDPCWEVNS-UHFFFAOYSA-N 292.363 3.687 30 20 CHED CCC/C(C)=C/c1nnc(COc2ccccc2C#N)o1 1327268095 PDGULVXHFNDFFQ-FMIVXFBMSA-N 283.331 3.724 30 20 CHED C=CCCC(C)(C)NC(=O)c1oc(C2CC2)nc1C(F)F 1338211752 FYYFVYALQMTZMQ-UHFFFAOYSA-N 298.333 3.964 30 20 CHED CCC[C@H](Cc1ccccc1)Nc1cccc(CC#N)n1 1338243934 OCBKQODSBOYTHK-QGZVFWFLSA-N 279.387 3.971 30 20 CHED Cn1ccc(C(=O)OC2(CC#N)CCC2)c1-c1ccccc1 1344835024 PQOZXLPTVZUPLX-UHFFFAOYSA-N 294.354 3.685 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@]23CCC[C@@H]2C3)s1 1345913170 NUASYHSDBJVFFV-OHUAYANFSA-N 288.416 3.807 30 20 CHED C[C@H](NC(=O)C12CCC(CC1)CC2)c1cccc(C#N)c1 1347227964 ZNDSHHLAECNITC-VNSJNIRKSA-N 282.387 3.706 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(N2CCCCCC2)cc1 1347536051 LDOZIPGAGHTVQJ-UHFFFAOYSA-N 286.375 3.526 30 20 CHED N#CC[C@@H](OC(=O)/C=C\C1CCCC1)c1ccco1 1347948980 OEMSXYQSFLZKGM-WBTMPAOCSA-N 259.305 3.524 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1c1cccc(F)c1 1353539208 JXZGJZYXHPIDQI-OAHLLOKOSA-N 261.340 3.846 30 20 CHED N#Cc1ccc(F)c(C(=O)N2CCC[C@H]2c2ccccc2)c1 1354463757 IYQKLEMPBCRKKO-KRWDZBQOSA-N 294.329 3.675 30 20 CHED C[C@@H](NCc1cccc2ncccc12)c1ccc(C#N)cc1 1460089629 MCJUBMQCPVMAJK-CQSZACIVSA-N 287.366 3.957 30 20 CHED C[C@@H]1CN(C(=O)c2cc(C#N)ccc2F)[C@@H]1c1ccccc1 1465469404 RMNVMDCERHRKNS-PXAZEXFGSA-N 294.329 3.531 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCc3c(C)cccc32)c1 1466839099 AYHNYAIXGCFVNW-UHFFFAOYSA-N 291.354 3.770 30 20 CHED N#CCc1cccc(NC(=O)c2cc(F)cc(Cl)c2)c1 1533223304 KOVXLLTVJHHEJL-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1cc(C(=O)Nc2cc(F)cc(C#N)c2)c(F)cc1F 1535371452 FZGDYKJOLROLCV-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc2cnccc2o1 1560898078 YKZYEPSZVJFODV-ZDUSSCGKSA-N 291.354 3.892 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C2CCCCCCC2)C1 1584703762 XRQRRQLIRYIBJC-UKRRQHHQSA-N 263.381 3.972 30 20 CHED C[C@@H]1C[C@H](OC(=O)c2ccc(C#N)o2)CC(C)(C)C1 1587195436 NFNMADJBNDPNJD-PWSUYJOCSA-N 261.321 3.523 30 20 CHED Cc1cscc1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1587817139 UDIIBNKXJXSPKV-UHFFFAOYSA-N 290.775 3.858 30 20 CHED C=CC1(CC(=O)Nc2sccc2C(=O)O)CCCCC1 1588718384 ACQOVMJADJIFRS-UHFFFAOYSA-N 293.388 3.911 30 20 CHED C[C@H]1C(=NN2CCC(C(C)(C)C)CC2)CC[C@@H]1CC(=O)O 1594120313 DYTKGHWWITYFKJ-CHWSQXEVSA-N 294.439 3.621 30 20 CHED Cc1scc(COC(=O)c2ccc(CC#N)cc2)c1C 1596993391 ZJAJZCZGIWAOQP-UHFFFAOYSA-N 285.368 3.788 30 20 CHED C=C(C)Cc1cccc(C(=O)O)c1OCc1cncs1 1602764711 MNLVWFVPECGADE-UHFFFAOYSA-N 289.356 3.539 30 20 CHED CC(C)(CCNc1nc(C#N)c(Cl)s1)C1CC1 1612419067 HIDRUTSQAQARNJ-UHFFFAOYSA-N 269.801 3.906 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(SC2CC2)cc1 1617775843 JITKVZWYAUXGRV-ZDUSSCGKSA-N 288.416 3.705 30 20 CHED CC(C)C[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 1642269354 WSAQJZWLYFUACT-CQSZACIVSA-N 274.383 3.955 30 20 CHED CC(C)[C@@H]1CCCCCN1CCOc1ccccc1C#N 1642452479 VSTOUINMUQBNKS-KRWDZBQOSA-N 286.419 3.838 30 20 CHED Cc1ccnc(NCC[C@@H]2CCc3ccccc32)c1C#N 1642740502 NXOSEIIRAWWZIA-HNNXBMFYSA-N 277.371 3.794 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1 1657521097 DIEUZHHJSKDKJM-CVEARBPZSA-N 256.393 3.863 30 20 CHED CCc1cccc(N(C)Cc2ccc(F)c(C#N)c2)c1 1658902767 VVSDDWIHXUNLMK-UHFFFAOYSA-N 268.335 3.896 30 20 CHED Cc1ccc(NN=C2CC[C@@H](CC(=O)O)[C@H]2C)c(Cl)c1 1776060826 QPZGNKGJAPJDMP-MNOVXSKESA-N 294.782 3.937 30 20 CHED C=CC(C)(C)CNc1nc2ccccc2c(C)c1C(=O)O 1776147913 NNEPMDMSMHCQEY-UHFFFAOYSA-N 284.359 3.866 30 20 CHED Cc1cnc(CSCc2ccc(F)cc2C#N)s1 179990245 HRPDNUNCQQRIRI-UHFFFAOYSA-N 278.377 3.896 30 20 CHED N#Cc1ccsc1C(=O)N1CCC[C@H]1C1CCCCC1 52031908 COECWEJDRZVZJJ-AWEZNQCLSA-N 288.416 3.805 30 20 CHED C=CCOc1cccc(NC(=O)Nc2ccc(OC)cc2)c1 56516905 ALDWABHJCPEBIZ-UHFFFAOYSA-N 298.342 3.904 30 20 CHED Cc1cc([C@H](C)NC(=O)c2sccc2C#N)c(C)s1 52030376 XAZUSRPGCYVLFM-VIFPVBQESA-N 290.413 3.789 30 20 CHED Cc1c(C#N)cccc1NCc1nc(-c2cccs2)no1 179055320 KKQWWVPBMGFIFO-UHFFFAOYSA-N 296.355 3.590 30 20 CHED CC[C@@H](/N=C/c1ccccc1O)c1nc(C)cs1 105356601 NGXHPZFAQADIDZ-AZZDOICSSA-N 260.362 3.727 30 20 CHED N#CC1(C(=O)NCc2ccc3ccccc3c2)CCCCC1 57386561 XRBCKRVSBIVXCC-UHFFFAOYSA-N 292.382 3.930 30 20 CHED C=CC[C@@H](C)NCc1ccc(OC(F)(F)F)cc1 116926968 LIWAGFYFIDXOBH-SNVBAGLBSA-N 259.271 3.639 30 20 CHED CCC(CC)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 119622725 HMPHQRRCGCBWNL-LBPRGKRZSA-N 258.365 3.562 30 20 CHED Cc1ccc(OCCC(=O)Nc2ccc(C#N)cc2)cc1C 20261525 PFXXCXBVFINFII-UHFFFAOYSA-N 294.354 3.583 30 20 CHED C=CCCCOC(=O)c1ccc(OC(C)C)c(OC)c1 303660533 DEKYXYQXMCBGIO-UHFFFAOYSA-N 278.348 3.605 30 20 CHED N#Cc1ccc(NCCc2cc3ccccc3o2)cc1 301352670 JRAMHVUEPBQSEN-UHFFFAOYSA-N 262.312 3.959 30 20 CHED C[C@H](Sc1nnc(C(C)(C)C)[nH]1)c1ccc(C#N)cc1 118174874 NXPNAWNTUNSTSQ-JTQLQIEISA-N 286.404 3.827 30 20 CHED C[C@H](Nc1ccc(C#N)nn1)c1cccc(C(F)(F)F)c1 301840118 OPEIMRHHDVRIBJ-VIFPVBQESA-N 292.264 3.540 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc1 111403585 YFMNMPLJIWVXER-AUWJEWJLSA-N 294.398 3.715 30 20 CHED CCOC(=O)[C@@H](CC)S[C@H](C#N)C1CCCCC1 177348530 KZZRKALKDYRTRZ-CHWSQXEVSA-N 269.410 3.534 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2csc(C3CC3)n2)c1 171192415 ALEFCYGZONUHEP-UHFFFAOYSA-N 296.395 3.669 30 20 CHED Clc1ccc(Cl)c(NN=Cc2ccc[nH]2)c1 309541188 GMLNOQPEVNOBEB-UHFFFAOYSA-N 254.120 3.768 30 20 CHED CC(C)(C#N)c1nc(-c2cccc(C(F)(F)F)c2)no1 177720828 OYBIBDZFVFCPSQ-UHFFFAOYSA-N 281.237 3.557 30 20 CHED N#Cc1ccc(N[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 301536469 LYKZADWNYSKEKA-MRXNPFEDSA-N 297.789 3.902 30 20 CHED Cc1ccc2oc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)cc2c1 116808749 PPYVPWUXZFXMBN-UGSOOPFHSA-N 296.370 3.944 30 20 CHED CN(CCC1CCCCC1)C(=O)NCc1ccc(C#N)cc1 171185799 HPGAOPYIGJPPQL-UHFFFAOYSA-N 299.418 3.670 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc(OC2CCCC2)c1 116849761 QYNNYZYOLFBATP-ZDUSSCGKSA-N 273.376 3.702 30 20 CHED Cc1nc2c(s1)[C@@H](N(C)Cc1cccc(C#N)c1)CCC2 171974879 ZTMGAYDATCADJU-INIZCTEOSA-N 297.427 3.833 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC(F)(F)F)cc1 116996551 BXABHRGUTFCPAY-SECBINFHSA-N 288.269 3.671 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)c1ccc(Cl)c(C#N)n1 301526891 NTYXMSNQOAHPOZ-MFKMUULPSA-N 263.772 3.622 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cscc1C 176251176 LEFPQKHUPLXDCZ-UHFFFAOYSA-N 296.395 3.757 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC1CCSCC1 171977801 LOEHNLPPLBOZMK-UHFFFAOYSA-N 296.480 3.660 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(C)c2cccc(C#N)c2)CC1 251991872 WAGCYPRROHFHGO-CTYIDZIISA-N 270.376 3.737 30 20 CHED CCc1ccccc1C/N=C(/N)Nc1cc(C)cc(C)c1 304762039 VEJIYDZYZCQXIU-UHFFFAOYSA-N 281.403 3.793 30 20 CHED CC(C)c1nc(CCNc2ccc(F)cc2C#N)cs1 301408538 NOANPHZDDNGMLB-UHFFFAOYSA-N 289.379 3.932 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/Cc2ccc(O)cc2)cc1 303774821 GENUHURICBDYPN-ZDUSSCGKSA-N 297.402 3.833 30 20 CHED C=CCCOCCNc1c(C)c(C)nc2ccccc12 302111915 BBXRMUNZFPJZOQ-UHFFFAOYSA-N 270.376 3.856 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccsc1 120624432 GEFPGUCWPBKQCR-MRXNPFEDSA-N 298.411 3.965 30 20 CHED Cc1cc(C)cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 31436304 ROXCWXHOAUXMPY-CQSZACIVSA-N 278.355 3.666 30 20 CHED C=CCSCCN[C@H](C)c1cccc(Cl)c1 129358514 GUQXSLVVHZHIEF-LLVKDONJSA-N 255.814 3.910 30 20 CHED CC(=O)c1ccc(C#N)c(NCC2(CC(C)C)CC2)c1 302086613 FGISEPLEANECKT-UHFFFAOYSA-N 270.376 3.999 30 20 CHED CC1CCN(Cc2ccc(C#N)cc2Br)CC1 180939583 IPGHTZAIYLZINT-UHFFFAOYSA-N 293.208 3.553 30 20 CHED C#CCCCCC(=O)N(CC)[C@H](C)Cc1ccsc1 186354217 CMKWQYBKDZVSOS-CQSZACIVSA-N 277.433 3.721 30 20 CHED CCN(CCC#N)Cc1ccccc1OC1CCCC1 127592877 JOPXSRQWJMVPNA-UHFFFAOYSA-N 272.392 3.744 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(C(C)C)on1 120239878 AKBPRDYORDAWCM-UHFFFAOYSA-N 290.388 3.688 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCC[C@@H]1CCCO1 189645792 MIEIJFVQJVHHHO-KBPBESRZSA-N 290.432 3.919 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(C)noc1-c1ccccc1 185465708 XFAGBOABHNIBIU-LLVKDONJSA-N 285.347 3.736 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CC)c1ccc(Cl)cc1 128423032 NODFSCMLZVURLD-ZWNOBZJWSA-N 266.772 3.665 30 20 CHED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 185831625 DSDZWTCVXIWCNX-IAGOWNOFSA-N 270.420 3.927 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCOC2(CCCCC2)C1 75831794 AHNNQDZPRRRNEP-HNNXBMFYSA-N 284.403 3.654 30 20 CHED CC(C)C(=O)Nc1ccc(OCCC(C)(C)C#N)cc1 410319536 NOWDJBBBCIIUSA-UHFFFAOYSA-N 274.364 3.600 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1c[nH]c2cc(F)ccc12 121174136 YMXUHZCFLKYYJJ-FPYGCLRLSA-N 281.286 3.909 30 20 CHED N#Cc1ccc(OCCCOc2ccc(F)c(F)c2)cc1 35732542 DBOSONDEPWUTFD-UHFFFAOYSA-N 289.281 3.684 30 20 CHED C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NCC(C)(C)C#N 502184201 DUQAXHNUTRDOIA-CJNGLKHVSA-N 299.418 3.549 30 20 CHED CCCN(CCc1cccs1)C(=O)c1cccc(C#N)c1 184372201 YKSXOWCYNBMVKX-UHFFFAOYSA-N 298.411 3.715 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)c1cccc(C)c1 509147131 PQJDSEQAUVCJBG-UHFFFAOYSA-N 278.355 3.842 30 20 CHED Cc1cccc([C@H](C)Nc2ncc(C#N)cc2F)c1C 413140211 FTIVFVDXNWTFBB-LBPRGKRZSA-N 269.323 3.882 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1nc2c(s1)CCC2 413391166 FTLAHXSPUSPQGU-SECBINFHSA-N 287.363 3.816 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C 416196470 WUMIEEKXGGIWCI-NVXWUHKLSA-N 288.435 3.540 30 20 CHED C=C(C)[C@@H](NC(=O)N[C@@H](C)CC)c1ccc(F)c(F)c1 187044155 OUVNMIQVIPLQNW-IINYFYTJSA-N 282.334 3.680 30 20 CHED CN(C/C=C/c1ccc(F)cc1)Cc1cc(C#N)ccc1F 505265599 LGAYBXOWIQXJTO-NSCUHMNNSA-N 298.336 3.982 30 20 CHED CC(C)C(=O)Nc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 185724808 PZIGMCGELXDBIT-KGLIPLIRSA-N 285.391 3.775 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@@H](C)C1CCCCC1 410824237 CEZQDKUCLRBJRA-HIFRSBDPSA-N 264.413 3.744 30 20 CHED Cc1nnc(N2CCC[C@H](C(C)(C)C)CC2)c(C#N)c1C 71202956 MWPDYCPAVINUQE-AWEZNQCLSA-N 286.423 3.618 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1OCCCC 181632463 BOZGIYMTORTCPI-UHFFFAOYSA-N 276.380 3.905 30 20 CHED C#CC[C@H](C)OC(=O)c1csc(-c2ccccc2C)n1 83782405 FKLXZEVGICLWSX-LBPRGKRZSA-N 285.368 3.687 30 20 CHED O=C(/C=C/c1nccn1-c1ccccc1)c1sccc1O 193149565 VOLQWFZUCAZWIH-VOTSOKGWSA-N 296.351 3.536 30 20 CHED O=C(/C=C/c1cncs1)c1ccc(F)cc1OC(F)F 130106382 WQVFAKCDNAKJSL-DUXPYHPUSA-N 299.273 3.780 30 20 CHED CCO[C@H](C/N=C/c1ccccc1O)c1ccccc1 194515885 UGKLWDYMBCDZDS-YPOUMIDOSA-N 269.344 3.589 30 20 CHED C=C(C)[C@@H](N[C@H](C)COC(C)C)c1ccc(F)c(F)c1 500405247 SLWKRFGYMLZUHV-MLGOLLRUSA-N 283.362 3.985 30 20 CHED Cc1nccc(N=C(O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 328781471 FSJJVFZMARLIAW-MGPQQGTHSA-N 273.380 3.980 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(C)no1 194665941 MZQBXIJKADKVGG-UHFFFAOYSA-N 266.385 3.806 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 513002427 YTXWHTKKZRHHPK-HBYGRHMLSA-N 290.794 3.766 30 20 CHED CCOc1ccccc1CNc1snc(Cl)c1C#N 48893733 FVEGJLCTOZXAQS-UHFFFAOYSA-N 293.779 3.679 30 20 CHED Cc1nc(C(C)C)oc1CN1CCc2c(C#N)cccc21 420969117 BBJVFEOXDVIWIC-UHFFFAOYSA-N 281.359 3.541 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1csc2c1CCCC2 428038967 POYOTWXTUMMHID-GFCCVEGCSA-N 275.417 3.808 30 20 CHED Cc1cc(C)cc([C@@H]2CCN(Cc3cc(C#N)n(C)c3)C2)c1 191475752 SGXWVSILZGZDGP-QGZVFWFLSA-N 293.414 3.503 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(COC(C)C)c1 195040947 LBQRMIFIFDCRFJ-UHFFFAOYSA-N 288.391 3.818 30 20 CHED CN(Cc1ccccc1Cl)c1ccc(C#N)cc1 42226943 QHFOJKJCKYVATD-UHFFFAOYSA-N 256.736 3.848 30 20 CHED CCc1ccc([C@H](CNc2ccc(C#N)cc2)N(C)C)cc1 514318789 ILUUJMFGAQDNEF-IBGZPJMESA-N 293.414 3.835 30 20 CHED C=CCOc1ccc(C(=O)N2CCc3c(C)cccc32)cc1 195734756 TXSBHFCNUKRBMT-UHFFFAOYSA-N 293.366 3.763 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 424712567 RDOGXXDKBORKSW-GFCCVEGCSA-N 290.363 3.683 30 20 CHED Cc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1C 82271805 NZVVJONFTSMPLL-UHFFFAOYSA-N 268.291 3.567 30 20 CHED COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(F)c1 229737793 JXNYGAXAEXPLRV-LBPRGKRZSA-N 284.334 3.557 30 20 CHED Cc1ccc(/C(O)=N/[C@@H]2CCO[C@@H](CC(C)C)C2)c(O)c1 331235449 LKHAFDDVNBQAPP-KGLIPLIRSA-N 291.391 3.599 30 20 CHED CCCCCCCCCC(=O)NC[C@@H]1CCCOC1 193663680 YUTXDLRZLKVEFX-HNNXBMFYSA-N 269.429 3.670 30 20 CHED CC[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(C)cc1 194715223 OLPAAYUHXBZPGF-GOSISDBHSA-N 292.382 3.677 30 20 CHED CCc1cc(O)ccc1NC(=O)Nc1cccc(C#N)c1C 192343645 XMOVTVLWBSVBBM-UHFFFAOYSA-N 295.342 3.779 30 20 CHED Cc1cc(C)n(-c2cccc(N[C@@H]3CC[C@H](C#N)C3)c2)n1 334801454 BWBQVWMKXQMMCM-GOEBONIOSA-N 280.375 3.593 30 20 CHED Cc1ccc(OC(F)F)c(CN(CCC#N)CC2CC2)c1 93091569 TZYQFLYJNVEHJY-UHFFFAOYSA-N 294.345 3.722 30 20 CHED CC(C)CCCN1CCCN(c2ccccc2C#N)CC1 429050844 YCINBXGVGFLEGS-UHFFFAOYSA-N 285.435 3.507 30 20 CHED Cc1ccccc1CNC(=O)Nc1ccc(C#N)cc1Cl 426130818 LTVAOAXFUMPAFO-UHFFFAOYSA-N 299.761 3.842 30 20 CHED Cc1c(C)c(C)c(C/N=C(/O)c2c[nH]c(C#N)c2)c(C)c1C 330693225 AQTQNJIZTSGXCU-UHFFFAOYSA-N 295.386 3.933 30 20 CHED C=C(CNC(=O)N(CC1CC1)CC1CC1)c1ccccc1 512660464 NKRWQXWCKZLEHD-UHFFFAOYSA-N 284.403 3.531 30 20 CHED CC[C@H](C)[C@H](C)NCc1cccc(OCCCC#N)c1 236988798 FQTLZJXXUSGBHS-GJZGRUSLSA-N 274.408 3.893 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@H](C)Cc1cccs1 426026346 ZACVKXXJTFAPMK-KGLIPLIRSA-N 292.448 3.677 30 20 CHED CC[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 91919319 ULLOKYZVCSAMFR-MRXNPFEDSA-N 286.419 3.991 30 20 CHED C[C@@H](CC1CCCC1)C(O)=Nc1nc2cccnc2[nH]1 330222595 MOFOTDNXTIASLV-JTQLQIEISA-N 272.352 3.762 30 20 CHED CC(C)(C)C1=CCN(Cc2ccccc2C#N)CC1 535377450 KBMIOGPJIRMMFC-UHFFFAOYSA-N 254.377 3.736 30 20 CHED CC[C@H]1CCCCN1C(O)=Nc1cnn([C@@H](C)CC)c1C 331133953 POUXDCGSBMWXSZ-JSGCOSHPSA-N 292.427 3.973 30 20 CHED Cc1cc(Cl)c(C(=O)Nc2cc(CC#N)ccn2)cc1C 334961298 VXKNKGFHMISKHT-UHFFFAOYSA-N 299.761 3.670 30 20 CHED C=CCCC(=O)N[C@H](C1CCCCC1)C(F)(F)F 439857962 REDXBIBLUDILPG-GFCCVEGCSA-N 263.303 3.580 30 20 CHED N#CCC1(CN[C@H](c2ccc(F)cc2)c2ccccn2)CC1 430750671 PELBTXRLGPEGSC-QGZVFWFLSA-N 295.361 3.594 30 20 CHED CSc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 430752194 FLSMVRVSVSCESW-LBPRGKRZSA-N 260.406 3.753 30 20 CHED CC1(C)C[C@H]1NC(=O)N[C@H](CCCC#N)c1ccccc1 431823609 RBNBCIIPBYVFMQ-HUUCEWRRSA-N 285.391 3.519 30 20 CHED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ncccc1F 528261396 AYPPALMPNLLUON-NSHDSACASA-N 298.365 3.958 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 246050829 UKBCLBUAACNUNW-HOTGVXAUSA-N 279.811 3.804 30 20 CHED C=CCSc1ccccc1C(=O)NCCCOC(C)C 347552302 FBNBUZKIEUEJJD-UHFFFAOYSA-N 293.432 3.510 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C(C)(C)C)on1 525668495 WIHVLFXLTSEHOE-UHFFFAOYSA-N 298.386 3.801 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)[C@@H](C#N)CCc1ccccc1 433217355 AEPVQQODDDXGJL-GDBMZVCRSA-N 296.370 3.572 30 20 CHED N#CCn1c(C(=O)Nc2ccc(F)cc2)cc2ccccc21 609159535 MWTSEPBGMNOBIE-UHFFFAOYSA-N 293.301 3.556 30 20 CHED Cc1ccnc(N(C)[C@@H](C)c2ccc(F)cc2)c1C#N 343501080 BQESTTYQHDQVTQ-LBPRGKRZSA-N 269.323 3.598 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2cccnc2)cc1 346191377 BPCZOCSADXDVRE-UHFFFAOYSA-N 268.316 3.779 30 20 CHED CC[C@](C)(O)CN(Cc1ccccc1)C[C@@H](C)CCC#N 602625107 DDJTWNJNXMWHNU-WMZOPIPTSA-N 288.435 3.589 30 20 CHED CN(C(=O)C1(C#N)CCCCC1)c1ccc(Cl)cc1F 439181735 GKYFIJJPHUDQKP-UHFFFAOYSA-N 294.757 3.916 30 20 CHED Cc1cc(C)c2cc(CNCC3(CC#N)CC3)[nH]c2c1 430008220 VJTBGHGIHHCHKK-UHFFFAOYSA-N 267.376 3.568 30 20 CHED C[C@@H](CCC#N)CNc1cccc(COCC2CC2)c1 602486688 GRZGEKIJFHXGMF-AWEZNQCLSA-N 272.392 3.965 30 20 CHED CCCN(Cc1ccc(OC)cc1)c1ccc(C#N)cc1 604492409 WEDWUFBRUGQTKM-UHFFFAOYSA-N 280.371 3.983 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](C#N)c1ccccc1F 448898427 VQOQTXUINMQHGY-XJKCOSOUSA-N 288.366 3.723 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C3CC3)cn2)cc1Cl 445667968 JUYKDISTVMUVJB-UHFFFAOYSA-N 297.745 3.736 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccnc1Nc1ccccc1F 604880575 YJNIDFUYCVSLSB-GFCCVEGCSA-N 299.349 3.659 30 20 CHED CC[C@H](Cc1ccc(F)cc1)NC(=O)C(C#N)(CC)CC 600087185 KRVDNDMRZORGEY-OAHLLOKOSA-N 290.382 3.593 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(-c3ccc(C)o3)[nH]n2)n1 340814424 GTXKCFAVQMUNBP-UHFFFAOYSA-N 298.346 3.882 30 20 CHED COc1cc(Oc2nc3cc(C)ccc3o2)ccc1C#N 443941824 AOCSQYCGFLKGAR-UHFFFAOYSA-N 280.283 3.809 30 20 CHED Cc1ccc([C@@H](C)CN2CCC(CC#N)CC2)cc1 600145108 ADMXZXKYOKRNMR-HNNXBMFYSA-N 256.393 3.724 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)s1 254966413 ZORSRRDXFUGQOB-IWQZZHSRSA-N 293.269 3.933 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C 602304197 WIHVTFJELPJJKQ-KSSFIOAISA-N 286.419 3.618 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)Cc1c(F)cccc1Cl 265344122 CNBZIMWXUCDRSU-SNVBAGLBSA-N 284.762 3.585 30 20 CHED C=CCC1(C(=O)NCCc2cccc(O)c2)CCCCC1 449833842 IWKAIAPTJYMHQN-UHFFFAOYSA-N 287.403 3.578 30 20 CHED C=C1CCN(CC(=O)Nc2c(C)cccc2C(C)C)CC1 264497140 UVZJMAVQDOAZNU-UHFFFAOYSA-N 286.419 3.709 30 20 CHED CC1(C)CN(Cc2nc(C#N)cs2)C[C@H]1c1ccccc1 356117932 WXLJHNFEFMHWLX-HNNXBMFYSA-N 297.427 3.640 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc2c1CCCC2 448684172 HRMNNYHKZZXCDA-UHFFFAOYSA-N 257.377 3.604 30 20 CHED C=CCCCC(=O)N(CCCCOC)Cc1ccccc1 267132556 FTYBPSXGERAPQJ-UHFFFAOYSA-N 289.419 3.798 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 617781549 PHIYTBYMQWNOEW-JTQLQIEISA-N 297.757 3.613 30 20 CHED CC(C)CCOc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 442784465 PPZZQCOSLQUVPA-NVXWUHKLSA-N 286.419 3.893 30 20 CHED CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 610496671 IRYQSVVJWXQNAD-OWSLCNJRSA-N 296.414 3.722 30 20 CHED CCCCCCCC(=O)NCc1csc([C@H](C)OC)n1 267667250 BUUCUYXTTRMKLO-LBPRGKRZSA-N 298.452 3.827 30 20 CHED Cc1ccc2c(c1)N(C[C@H](C)CCC#N)C[C@@H](C)O2 619568575 AJFLUSCDDMCJGF-ZIAGYGMSSA-N 258.365 3.522 30 20 CHED CC(C)CCN(CCC#N)Cc1ccn(C2CCCC2)n1 357269724 ZWEDLFRLOHCMDE-UHFFFAOYSA-N 288.439 3.760 30 20 CHED Cc1cc(NCc2ccc(C#N)o2)ccc1C1CC1 358987415 LHXNYUPREWNBDB-UHFFFAOYSA-N 252.317 3.949 30 20 CHED Cc1cccc(Cl)c1NCC(=O)Nc1ccc(C#N)cc1 443544543 WDUOBGSWNMFBCD-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccsc1 619758482 XDIXXVCHJLEGFQ-SECBINFHSA-N 290.775 3.764 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)C1CCC1 357006306 BITITQIVBNLVJF-GFCCVEGCSA-N 271.364 3.519 30 20 CHED CC[C@H](NC[C@@]1(C)CCCS1)c1ccc(C#N)cc1 447587071 OIAYRHQAFHGGRV-JKSUJKDBSA-N 274.433 3.885 30 20 CHED Cc1ccccc1[C@H](NCC1(C#N)CC1)C(C)(C)C 539491963 XQWQCQKKSJPSRP-HNNXBMFYSA-N 256.393 3.976 30 20 CHED CC(C)(C#N)CNCc1c(Cl)ccc2cccnc12 612588005 LNMJYEILUVSPHK-UHFFFAOYSA-N 273.767 3.528 30 20 CHED C=C(CC)CNC(=O)N1C[C@H]2CC[C@H]1c1ccccc12 455540853 PFWRDZNGNBYBOC-CJNGLKHVSA-N 270.376 3.597 30 20 CHED C#CC[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 367793359 OEAVQBGAOAMLEK-BQFCYCMXSA-N 296.414 3.583 30 20 CHED C=CCCSCC(=O)NCCc1c(C)cc(C)cc1C 532412657 BJCOTXYWBAPBHC-UHFFFAOYSA-N 291.460 3.580 30 20 CHED CN(C(=O)N[C@H](CCC#N)c1ccccc1)C1CC(C)(C)C1 458577834 QBFONYSUWDYGEY-MRXNPFEDSA-N 299.418 3.861 30 20 CHED Cc1ccc(CSc2nc(C)cc(C)c2C#N)nc1 610928125 OJVFRKXKAMKKAC-UHFFFAOYSA-N 269.373 3.566 30 20 CHED CCC1(NC(=O)c2sc3ccc(C#N)cc3c2C)CC1 452460706 MWEHAGITJQXASX-UHFFFAOYSA-N 284.384 3.754 30 20 CHED Cc1ccc2oc(C(=O)N[C@](C)(C#N)CC(C)C)cc2c1 536079556 DDBJJHNLIYVGGG-KRWDZBQOSA-N 284.359 3.799 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@](C)(C#N)C2)o1 612406964 YFROSSOPEWFAPE-XNRPHZJLSA-N 258.365 3.529 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C(F)(F)F)cc1 451606241 MVZFTBZBVSASQD-HONMWMINSA-N 285.309 3.700 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(F)cccc2SC)C1 617780488 WGEIFOMXXSAEHT-GFCCVEGCSA-N 293.407 3.976 30 20 CHED C[C@H](C#N)C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 457126872 PYHIIIFCBHRWLV-ZLDLUXBVSA-N 290.794 3.642 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H](N2CCCC2)CC1 365442363 JQLJGUPBXJWZCZ-QGZVFWFLSA-N 291.483 3.657 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCCC(C)(C)C1 544621962 OKPNQKFQZAVMJD-OLZOCXBDSA-N 252.402 3.609 30 20 CHED C=CCSc1ccccc1C(=O)NCC1(C2CC2)CC1 362412128 RQZAWMPPMXJSQI-UHFFFAOYSA-N 287.428 3.885 30 20 CHED N#Cc1cc2c(nc1N1CCC(C3CCCC3)CC1)CCC2 610281922 ZEEZZVJHGOQGNS-UHFFFAOYSA-N 295.430 3.849 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(CCC#N)Cc2ccccn2)CC1 275938536 YALSWFRAJVWJAF-WKILWMFISA-N 299.418 3.540 30 20 CHED CC[C@H](Cc1ccc(C)cc1)NCC(C)(C)CC#N 459729571 KDBXNTQMHZWYNT-MRXNPFEDSA-N 258.409 3.846 30 20 CHED C[C@H](c1ccc(C(C)(C)C)cc1)N1CCN(CCC#N)CC1 611175961 QLPDKEBGLADYSF-MRXNPFEDSA-N 299.462 3.576 30 20 CHED C=CC[C@H](C)NC1CCN(Cc2ccc(Cl)cc2)CC1 272959080 VZCRSXUIEROLKB-AWEZNQCLSA-N 292.854 3.859 30 20 CHED Cc1cc(C#N)ccc1OCc1ccc(Cl)cc1C#N 547814672 MBUMTEBYQWLQST-UHFFFAOYSA-N 282.730 3.971 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 362678785 GNKNFQIFLGXPKW-RYUDHWBXSA-N 289.404 3.777 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2C[C@H]3CCCC[C@H]32)cc1 365809628 XXGFFQTYNNRFPK-GDBMZVCRSA-N 282.387 3.502 30 20 CHED CCCCN(C(=O)CC(C)(C)C#N)c1ccccc1 278362312 YNLZAOKSGLXCFD-UHFFFAOYSA-N 258.365 3.760 30 20 CHED CC(=O)CCCCCOc1ccc(C#N)c(Cl)c1 450909800 OWJKONXAJPIPFR-UHFFFAOYSA-N 265.740 3.740 30 20 CHED C=C(C)[C@H](Cc1nc([C@H]2CCC[C@H](C)C2)no1)OCC 273973437 QOLGDUUYFGZVPX-IHRRRGAJSA-N 278.396 3.887 30 20 CHED C=CC[C@@H](C)NC(=O)c1c(-c2ccccc2)noc1CC 279726793 BWYUVFUJURYLTQ-GFCCVEGCSA-N 284.359 3.598 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@H](c1ccccc1)C1CCC1 458278996 RRRBUSLSGOWZGO-MRXNPFEDSA-N 299.418 3.719 30 20 CHED C[C@@H](CCCc1cccnc1)NCc1cc(C#N)ccc1F 453144160 FRCJJMJFVDXVNY-AWEZNQCLSA-N 297.377 3.593 30 20 CHED C=CCN(C(=O)NCCCCCc1ccccc1)C1CC1 540111357 SQWCPXAGWUTOPG-UHFFFAOYSA-N 286.419 3.759 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H]1COc1ccccc1 451312049 KKVULGUFFBZWTA-INIZCTEOSA-N 286.419 3.860 30 20 CHED CC(C)c1ccc(Cc2noc([C@@]3(C#N)C[C@@H]3C)n2)cc1 453054684 BKCARENWFYPZHY-YVEFUNNKSA-N 281.359 3.585 30 20 CHED Cc1ccccc1[C@@H](NC(=O)CC(C)(C)C#N)C1CC1 278373206 PSEIHQMHEGWLAD-INIZCTEOSA-N 270.376 3.502 30 20 CHED C=CCCCN(C)c1nnc(CCCC)n1CC(=C)C 549279440 JYAJUUZNOIHODS-UHFFFAOYSA-N 276.428 3.599 30 20 CHED C=CCCSCc1ccc([N+](=O)[O-])c(OCC)c1 549556926 VCLRBCKQVJDZMB-UHFFFAOYSA-N 267.350 3.803 30 20 CHED CN(C(=O)CCCc1ccccc1Cl)C1(C#N)CCC1 362038052 JZSXVDDNIXGUQI-UHFFFAOYSA-N 290.794 3.567 30 20 CHED N#CC1(CN[C@@H]2CCCC[C@H]2c2ccccc2)CCC1 450754418 CLUPDSUOMBMNRZ-DLBZAZTESA-N 268.404 3.996 30 20 CHED C[C@H](OC(=O)C(C)(C)C#N)c1cccc(Br)c1 270777347 GMVFBHBWSNOFKK-VIFPVBQESA-N 296.164 3.603 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cncs1)c1ccccc1 271576673 WLPUGPDFQTYPCO-GXTWGEPZSA-N 256.374 3.558 30 20 CHED CC(C)(C#N)CCCCN1CCSC[C@@H]1C1CC1 451646732 GNAZCHGWNOYVLQ-CQSZACIVSA-N 266.454 3.534 30 20 CHED C=C(C)CCNC(=O)c1ccc(CCC(F)(F)F)cc1 452720033 VMZQKZNXRVNLOC-UHFFFAOYSA-N 285.309 3.878 30 20 CHED CC(C)(C1=CCCCC1)c1noc(C2(C#N)CCC2)n1 278044584 LLAQMERNZHTZJW-UHFFFAOYSA-N 271.364 3.793 30 20 CHED CN(CCCOc1ccccc1)c1ccc(F)cc1C#N 462922682 BIDRZBBIPYSOHO-UHFFFAOYSA-N 284.334 3.603 30 20 CHED C[C@@H](CCNC(=O)c1ccc(CC#N)cc1)CC(C)(C)C 468076697 DUNHQYRGOGJRJP-AWEZNQCLSA-N 286.419 3.945 30 20 CHED C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(C#N)cc1 463438785 ZYJCGYWDPKJJEV-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED C=CCCCC(=O)N1Cc2ccccc2C2(CCC2)C1 376029757 PPIBJTWUPOYVRL-UHFFFAOYSA-N 269.388 3.807 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC1CCC1)C(C)C 466378178 YIFSFNWNMGEKKV-AWEZNQCLSA-N 252.402 3.561 30 20 CHED C[C@@H](Nc1ccnc(C#N)c1)c1nc(C(F)(F)F)cs1 287957076 YVLCXPDMDAHOLL-SSDOTTSWSA-N 298.293 3.602 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 373495487 MZEHDIHCECLCCB-GOEBONIOSA-N 290.382 3.679 30 20 CHED C=CCCCNC(=O)c1ccc(-c2cccs2)o1 468371289 FNUHNQRFZCNGMC-UHFFFAOYSA-N 261.346 3.704 30 20 CHED CC(C)(C#N)Cc1nc(-c2coc3ccccc23)no1 289098965 ONBSJSJTVAGSRZ-UHFFFAOYSA-N 267.288 3.575 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 280481192 ALEGZAHUAXIQIT-MRXNPFEDSA-N 298.317 3.576 30 20 CHED CCCN(CC#N)Cc1nc(-c2ccc(C)cc2)cs1 286297600 GGTRBWKDIPQEQI-UHFFFAOYSA-N 285.416 3.854 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 286544643 QZFUPVUJXBFLDA-IINYFYTJSA-N 298.308 3.822 30 20 CHED C=C(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)c(F)c1 282315265 NFWDHMDGTWHQRI-FFSVYQOJSA-N 276.330 3.864 30 20 CHED C#CCCCCN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 282968554 CZRBQHVJUNUNIJ-MSOLQXFVSA-N 299.414 3.561 30 20 CHED CO[C@H]1CCC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 463662866 TUCHBOFRTRMWCA-YGRLFVJLSA-N 298.308 3.804 30 20 CHED C=CCCN(C)Cc1ccc(OCC=C)c(Cl)c1 467368916 IRQNTTWZNYFIOL-UHFFFAOYSA-N 265.784 3.913 30 20 CHED Cc1oc(C(C)C)cc1C(=O)NCC#Cc1cccc(F)c1 552589991 PLPCTOLTXSTIPA-UHFFFAOYSA-N 299.345 3.632 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)[C@@H](C)C1CCCCC1 554925703 FTMBAPGIOLYJGI-ZDUSSCGKSA-N 288.439 3.747 30 20 CHED C=CCCCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 475578983 FKFWIDUAMIPSIG-UHFFFAOYSA-N 291.351 3.689 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(C)c(OC)cc1C 470281048 TYJPQQXAFWMHBI-UHFFFAOYSA-N 284.359 3.552 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1CC[C@@H](C#N)C1 471598827 MEEMUUYYKZHAON-KOFHJDLBSA-N 272.367 3.731 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C(\C)C(C)(C)C)cc1 804139863 NQVRJPJHRKTHPV-WYMLVPIESA-N 287.403 3.860 30 20 CHED C=CCCCCNC(=O)[C@@H]1CCCc2ccccc21 471694533 UYYCYAPGYZITPD-MRXNPFEDSA-N 257.377 3.579 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(F)cc1F 292225621 MUZLKQLQLJWBJN-UHFFFAOYSA-N 267.319 3.526 30 20 CHED COc1ccc2c(c1F)CCC2=NNc1ccccc1F 807961518 TUWRTNGUNHQHOO-UHFFFAOYSA-N 288.297 3.736 30 20 CHED C#C[C@@H](CC)NCc1ccc(-n2cnc3ccccc32)cc1 809686286 HKRJSUUUCIWNQI-INIZCTEOSA-N 289.382 3.527 30 20 CHED C#C[C@H](NC(=O)CCC(C)(C)c1ccccc1)C(C)(C)C 807883844 RHCGDKRAUXPYAR-INIZCTEOSA-N 285.431 3.909 30 20 CHED CC[C@H](C)N(C(=O)Cc1c(F)cccc1C#N)[C@@H](C)CC 567786200 OBAJZXZJBCTSCT-STQMWFEESA-N 290.382 3.665 30 20 CHED CN(Cc1ccc(Cl)s1)[C@H]1CC[C@H](C#N)C1 293661981 YUMQKUTXBXPNRJ-UWVGGRQHSA-N 254.786 3.526 30 20 CHED CN(CCCc1ccccc1)C(=O)[C@@]1(C#N)CC12CCCC2 294283990 BEJMNTVMFLTNLE-IBGZPJMESA-N 296.414 3.552 30 20 CHED CCC[C@@H](C#N)NC(=O)c1[nH]c2c(Cl)cccc2c1C 568851253 ZHNGGLYCEVZCPD-JTQLQIEISA-N 289.766 3.552 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1 291275078 LRPNNNOTLFKTGJ-NWDGAFQWSA-N 289.272 3.711 30 20 CHED C=C[C@H](CC(=O)NC[C@H]1CC[C@@H](C)C1)c1ccccc1 478109476 KBZYSEKEDAAPGJ-OWCLPIDISA-N 271.404 3.899 30 20 CHED C=CCOc1ccc(CNC(=O)/C(C)=C(\C)CC)cc1 804139830 MLXYQTZMAFTEQK-BUHFOSPRSA-N 273.376 3.614 30 20 CHED C=CCCCCNC(=O)CCn1ccc2ccccc21 474674124 AXAJCHZTIMNRST-UHFFFAOYSA-N 270.376 3.504 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CC2CCC1CC2)c1nc2ccccc2[nH]1 815897763 GQKIZBOIIBZQGT-PQAZSJQKSA-N 293.370 3.565 30 20 CHED C[C@@H](O)CNN=C1CCCCCCCCCCC1 814961026 WGINHDQGWFRNJN-CQSZACIVSA-N 254.418 3.618 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)[C@H](C)CCCCC(=O)O 814937934 RUUXTGIOIDFVIZ-YPMHNXCESA-N 270.417 3.668 30 20 CHED COc1ccc(Cl)cc1C(C)=NOC/C=C/Cl 811670122 YFTLUXMHLWWBMK-LPTQTZJXSA-N 274.147 3.842 30 20 CHED Cc1cc(C=NN[C@H](C)COc2ccccc2)c(C)s1 811664919 KBDAVROEZRFVQC-GFCCVEGCSA-N 288.416 3.756 30 20 CHED C=CC[C@H](C(=O)N(C)[C@@H](C)CCC)c1ccccc1 488618768 GZNQRIWHYAMHAJ-HOCLYGCPSA-N 259.393 3.993 30 20 CHED COc1ccc(F)cc1/C=C1\Cc2c(C)cccc2C1=O 812241259 FYRXVWPWTPZYLT-MDWZMJQESA-N 282.314 3.965 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C(C)(C)Oc1ccc(F)cc1 488857162 NLIIZUXJYGEQQV-CQSZACIVSA-N 291.366 3.550 30 20 CHED C(=NOCCC1CC1)c1cccc(-c2cccnc2)c1 814245036 HYRBLDOWPFLYRI-UHFFFAOYSA-N 266.344 3.899 30 20 CHED Cc1cc(C=NOC/C=C\Cl)cc2cccnc12 811668783 SYOOJFXSEGONIG-VMAAVKQBSA-N 260.724 3.646 30 20 CHED Cc1c(C=NOC/C=C/Cl)n(C)c2ccccc12 814934331 RPCDMMNNCSVAOH-LLDVEVIQSA-N 262.740 3.590 30 20 CHED COCC(=NOCc1ccccc1)c1ccc(Cl)cc1 814792082 NTHHQWJMKRQMNJ-UHFFFAOYSA-N 289.762 3.907 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCC[C@H]1O)c1ccccc1 566954474 YQQMFYAUKFDDAI-OKZBNKHCSA-N 273.420 3.835 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](C#N)C(C)(C)C 563719380 XHOKOFFJEQZXRK-HOCLYGCPSA-N 286.419 3.700 30 20 CHED CC(C)[C@@H]1CCC1=NNc1ccc(Cl)c(C(=O)O)c1 814689861 JDYYNSSMZFCSAU-JTQLQIEISA-N 280.755 3.872 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1oc2ccccc2c1C 488847876 ATTZJFHOIMNRHW-ZDUSSCGKSA-N 269.344 3.922 30 20 CHED C=CCCN[C@H](Cc1ccncc1)c1cccs1 658112894 ANBHCLUOSQIKLY-CQSZACIVSA-N 258.390 3.593 30 20 CHED C=CCN(CC1CCCCC1)C[C@@H]1CCCCO1 484538148 ASKWMJAGIGYVBG-INIZCTEOSA-N 251.414 3.624 30 20 CHED Cc1cccc(C)c1NC(=S)NN=C1CC2(CC2)C1 814707811 XCPPIUXQJPOVDW-UHFFFAOYSA-N 273.405 3.520 30 20 CHED COC[C@H](N[C@@H](C)c1ccc(C#N)cc1Cl)C(C)C 574353426 IOSSSMJYSPIPFM-NHYWBVRUSA-N 280.799 3.533 30 20 CHED C#Cc1ccccc1CC(=O)N(C)C1CCC(CC)CC1 810082297 QBVAUVRRFVFNCI-UHFFFAOYSA-N 283.415 3.638 30 20 CHED C=C1[C@@H](OC(=O)c2ncoc2C2CC2)C[C@H]2C[C@@H]1C2(C)C 816051580 ASLJKKJTNAEWPJ-AGIUHOORSA-N 287.359 3.700 30 20 CHED CCCCCCCc1nc(-c2cnn(C)c2Cl)no1 817093010 MYXZBUJBOYEOFK-UHFFFAOYSA-N 282.775 3.636 30 20 CHED C=C(C)CN(C)[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1 652430469 DLQZYTHBZWDLJO-LBPRGKRZSA-N 288.174 3.627 30 20 CHED CCC[C@]1(C)CCCN(c2ccc(C#N)c(C)n2)C1 488056001 JQEACLXWIWQUIC-MRXNPFEDSA-N 257.381 3.668 30 20 CHED Cl/C=C/CON=Cc1cnc(-c2ccco2)s1 811672142 RJFKNSWNIIRKBV-GIBWFFBWSA-N 268.725 3.506 30 20 CHED COC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCCCC1 480717489 SULXHYHMJMGUCM-ZDUSSCGKSA-N 290.382 3.697 30 20 CHED C=CCC(C)(C)CNC[C@@H](O)c1ccc(F)cc1Cl 819331183 MHIIPYKMKRCTRM-CQSZACIVSA-N 285.790 3.704 30 20 CHED N#Cc1ccc(CSc2cccc(F)c2C#N)cc1 576183110 WMPSYVYZEHRPSM-UHFFFAOYSA-N 268.316 3.861 30 20 CHED C=CCCCCCCCNC(=O)Cc1ccc(C)nc1 811590149 RAWTXLODRDBRLE-UHFFFAOYSA-N 274.408 3.575 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1CCO[C@@H](C(F)(F)F)C1 814918019 YPLSNPDUKCDGPU-NWDGAFQWSA-N 292.345 3.642 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccc(C)c(C)c1O 728155433 LPJHWKUEYPHLRY-UHFFFAOYSA-N 298.342 3.543 30 20 CHED COc1ccc(C)cc1C(C)=NNc1ccccc1F 812459999 JYYZVEMGQWGWIE-UHFFFAOYSA-N 272.323 3.979 30 20 CHED CC(=NNC1CCCC1)c1nc2ccccc2s1 727651820 BDGBORAOPSDEBE-UHFFFAOYSA-N 259.378 3.553 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccccc1F)C(C)C 726751443 NVQIDYSUDRIGAE-CYBMUJFWSA-N 263.356 3.742 30 20 CHED C=CCn1cccc1C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 488963275 VSRNRERECZQTHW-DOTOQJQBSA-N 294.398 3.692 30 20 CHED N#CCc1cccc(NC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1 578121377 WIQSCNIRIWWQEC-WBVHZDCISA-N 297.402 3.700 30 20 CHED C[C@@H](CC(=O)OCc1ccccc1C#N)c1ccccc1F 726841783 FBFKJYXZZFBXMQ-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Oc1cccc(C2CC2)c1 822160170 KMPMSSKNLXETLJ-KRWDZBQOSA-N 274.360 3.698 30 20 CHED C#C[C@H](NC(=O)N1CCCCCC1)c1ccc(Cl)cc1 820585122 UZCWQLPJHXGTGS-HNNXBMFYSA-N 290.794 3.600 30 20 CHED C=CCCCCNc1ccc(C(=O)N(CC)CC)cc1 571513855 NLHDOEVEJMEXQD-UHFFFAOYSA-N 274.408 3.937 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H](C)c2ccc(F)cc2)c1 728481708 RKQRUINCGBFAHU-CQSZACIVSA-N 295.357 3.964 30 20 CHED N#Cc1ccc(-c2ccccc2C(=O)O)cc1C(F)(F)F 574043110 IARHOHYVXYKLHN-UHFFFAOYSA-N 291.228 3.942 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](C2CCCCC2)C1 661264095 OGCRCPFOFXWXQC-HNNXBMFYSA-N 264.413 3.564 30 20 CHED CC(C)N1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1 498050232 FIAJTYPGZWQJJT-UHFFFAOYSA-N 265.360 3.537 30 20 CHED C[C@H](CC(=O)OCc1ccc(C#N)cc1)c1ccccc1F 726842686 MQSZIYAIFRDIKW-CYBMUJFWSA-N 297.329 3.934 30 20 CHED CC(C)(CCC#N)CNC(=O)/C=C/c1ccc2[nH]ccc2c1 493686781 ODRJZAGOUAPJCB-FNORWQNLSA-N 295.386 3.627 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H](CC)C(C)C 490210941 DNAJWIKXUYOVSL-HNNXBMFYSA-N 277.408 3.909 30 20 CHED C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1cccc(C#N)c1 589578766 LKGULOQFFYHQHH-NSHDSACASA-N 292.298 3.511 30 20 CHED COc1ccc(NC2CCC(C)(C#N)CC2)c(C)c1 823534618 SZOPKZKCVNEJLL-UHFFFAOYSA-N 258.365 3.888 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cc(C2CC2)nc2ccc(C)cc12 491325537 DLDDVXROPAQGMB-CYBMUJFWSA-N 292.382 3.514 30 20 CHED CC(C)CC[C@H](Nc1cc(C#N)ncn1)C(C)(C)C 580811661 BCWWTKCWNKWMJO-ZDUSSCGKSA-N 260.385 3.611 30 20 CHED N#Cc1cc(NCc2cnn(C3CCC3)c2)ccc1Cl 902078746 NTIQXAUFILMYOC-UHFFFAOYSA-N 286.766 3.745 30 20 CHED C=CCCC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 730839464 HYHVYSHBNGMQIZ-UHFFFAOYSA-N 278.783 3.845 30 20 CHED CCc1ccc(COC(=O)c2cccc(CC#N)c2)cc1 735343650 AIECQELKOTZPDL-UHFFFAOYSA-N 279.339 3.672 30 20 CHED C=CCCNC(=O)Nc1cccc(O[C@H](C)CC)c1 665855368 PGAIGMVXZCAIRM-GFCCVEGCSA-N 262.353 3.562 30 20 CHED C#Cc1ccc(-c2nc(-c3cccc4ccccc34)no2)nc1 731806415 JLVPEEVSCGCCPE-UHFFFAOYSA-N 297.317 3.933 30 20 CHED COc1ccccc1/C=C1/COc2ccc(C)c(C)c2C1=O 737443569 KMFOKIAGNPVGDR-GDNBJRDFSA-N 294.350 3.971 30 20 CHED CCO[C@@H]1CCCC(=NNCc2cccc3cccnc23)C1 905435331 AESQIHSVPIWEJI-QGZVFWFLSA-N 297.402 3.660 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)c2ccc(C)s2)CC1 732452790 LBFHXAFTFMALJZ-GFCCVEGCSA-N 278.421 3.725 30 20 CHED C#CCC[C@@H](C)OC(=O)CCSc1ccc(OC)cc1 839033342 CVLWCWVZLKECKI-CYBMUJFWSA-N 292.400 3.523 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cc1 588480302 WEGAMYQVANLWSG-ALCCZGGFSA-N 283.714 3.813 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](C(C)(C)O)C2)CCCCC1 832448087 UVGKSFBOGBBFBN-OAHLLOKOSA-N 293.451 3.523 30 20 CHED CCn1c(C)cc(C=NN=c2cc[nH]c3ccccc23)c1C 730147208 NALFOCBMXRCURR-UHFFFAOYSA-N 292.386 3.541 30 20 CHED C=C[C@](C)(CCOC)C(=O)OC[C@@H]1CCCCC1(F)F 835644430 XGPYRVIPISMGPW-GXTWGEPZSA-N 290.350 3.584 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNCc2ccccc2F)o1 835010750 GQMAVLVZGNNXTF-RISCZKNCSA-N 272.323 3.666 30 20 CHED C=CCC[C@H](NC1CC(C)(C)CC(C)(C)C1)C(=O)O 901690866 UTKWLZWXCUQVPH-ZDUSSCGKSA-N 267.413 3.600 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2Cl)C1 839043438 MABJVKQLSIGBMX-GHMZBOCLSA-N 263.724 3.579 30 20 CHED CCC1(CC)[C@@H](N(C)C(=O)CCCCCC#N)C[C@H]1OC 588651566 UTWWWGQLEVFQOM-LSDHHAIUSA-N 294.439 3.513 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1c(C)nn(C)c1Cl)C2 730949386 UYLRZBWAXARLJI-XYOKQWHBSA-N 286.762 3.513 30 20 CHED CCCC(C)(C)CC(=O)N1CCC(CCC#N)CC1 580567502 BKHIHQDTZAVCQU-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CC(CCCc1cccnc1)=NNc1ncc(F)cc1F 835023396 HEAJGQLQGYSMMT-UHFFFAOYSA-N 290.317 3.566 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc(C(=O)O)c(F)c1 835010306 WWPXJZNESLXNOM-GHMZBOCLSA-N 278.327 3.748 30 20 CHED Cc1cccc2[nH]cc(CC(=O)O[C@@H]3CCC[C@H](C#N)C3)c12 839055576 YJJPYHGWUNIDKA-DZGCQCFKSA-N 296.370 3.644 30 20 CHED CC(C)=CCC/C(C)=C\C=NN1C(=O)c2ccccc2C1=O 916263947 LFBHMINALYKMSD-QUVZVDGRSA-N 296.370 3.961 30 20 CHED COc1cccc(O)c1C=Nc1ccc(N(C)C)cc1C 915979006 LUKWQZWEJXKHFC-UHFFFAOYSA-N 284.359 3.526 30 20 CHED CC(C)Oc1ccc(CC/N=C\c2ccccc2O)cc1 915113573 ZAFOBCBLIJBDQT-UYRXBGFRSA-N 283.371 3.841 30 20 CHED COc1cccc(C)c1C=NN[C@@H]1CCCC1(C)C 834975845 AOEDWKMAVMGWEY-OAHLLOKOSA-N 260.381 3.506 30 20 CHED C=CCONC(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 838711824 MONFCUPIPPNCTK-NWDGAFQWSA-N 296.798 3.591 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)CSc1ccccc1 599487328 CEZSKMGTJRHSHF-CQSZACIVSA-N 277.433 3.839 30 20 CHED N#Cc1ccc(NN=Cc2cc3ccccc3o2)cc1 915962627 OSCCRGHKWFYBJN-UHFFFAOYSA-N 261.284 3.750 30 20 CHED C=C(Cl)COC(=O)COc1ccccc1[C@@H](C)CC 839270784 JUBRWQJEAJTXRH-NSHDSACASA-N 282.767 3.875 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(-c2ccco2)s1)C1CC1 598131842 NGGVPRYTSJDLME-JTQLQIEISA-N 286.356 3.525 30 20 CHED C[C@@H](OC(=O)CCc1ccc(F)cc1)c1ccc(C#N)cc1 748676638 BAOLCXYYYSOUNU-CYBMUJFWSA-N 297.329 3.934 30 20 CHED Fc1cnc(NN=Cc2cnc(C3CCC3)s2)c(F)c1 835022811 SNVMOIABSPGCPT-UHFFFAOYSA-N 294.330 3.530 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 593407342 RMDXTAMZYYQQKO-GOEBONIOSA-N 299.418 3.549 30 20 CHED CCOc1ccc(/C=N/[C@H](C)c2cccc(OC)c2)c(O)c1 917557745 BAZNOLCUPRVUNZ-KZKLBEMASA-N 299.370 3.980 30 20 CHED C=CCCCOC(=O)CCc1c[nH]c2c(C)cccc12 745134981 YNQAVCXMGJMIEQ-UHFFFAOYSA-N 271.360 3.918 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2ccncc2)c(C)c1 916135960 AXAMQYJQJSQBDN-PLNGDYQASA-N 251.329 3.903 30 20 CHED CCSC1(CN[C@H](CC)c2ccc(C#N)cc2)CC1 595092515 KNXYJMJSCIVKIM-OAHLLOKOSA-N 274.433 3.885 30 20 CHED CCCCCCO[C@H](C)C(=O)Nc1sccc1C#N 841006672 HJXXLMFTOKAVSL-LLVKDONJSA-N 280.393 3.544 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1NCc1ccccc1 677893283 VWAMTGHRBGGHPQ-OAHLLOKOSA-N 294.398 3.993 30 20 CHED CCCOc1ccc(C/N=C/c2c(O)cccc2OC)cc1 915982766 BRCILUZSYGHWQB-CPNJWEJPSA-N 299.370 3.809 30 20 CHED C#CCCCCC(=O)Nc1c(F)cccc1NC(C)C 911928296 PURSFDPHSCOFCY-UHFFFAOYSA-N 276.355 3.778 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@@H](C)c1ccc(Cl)cc1 593096294 NWZDZSIAOMUIGI-BLLLJJGKSA-N 292.810 3.888 30 20 CHED N#Cc1ccc(SCc2cccc(Cl)n2)cc1 743454357 VYCVDSOWMLDADM-UHFFFAOYSA-N 260.749 3.899 30 20 CHED N#CCCCCCC(=O)Nc1nccc(-c2ccccc2)n1 590976140 PPXHJTKIDPJSTM-UHFFFAOYSA-N 294.358 3.556 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 597503895 XHQNFVHFGSGHQS-BQFCYCMXSA-N 288.435 3.745 30 20 CHED CCCCCCCCC(=O)O[C@H](C)c1cnccn1 747744648 LOISYTHWVPQERA-CYBMUJFWSA-N 264.369 3.831 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593986410 ZTINVCDVDZFPMQ-ZNMIVQPWSA-N 286.419 3.678 30 20 CHED C[C@@H]1CC(=NNCC(F)F)C[C@@H](c2ccccc2)C1 749859482 QTVKVIWHUCHFDX-AAEUAGOBSA-N 266.335 3.801 30 20 CHED N#CC[C@@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 596331416 XWMUGGLPWYLCFP-NSHDSACASA-N 293.292 3.707 30 20 CHED C=CCN(C)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 681706924 QCZYLZACXGWRCG-UHFFFAOYSA-N 285.347 3.608 30 20 CHED CC(C)C[C@@H](C(=O)OCCCC#N)c1ccccc1 741049507 FSMJKGSJJJVWQF-OAHLLOKOSA-N 259.349 3.663 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC(F)F)cc1)C(C)C 748951517 QZWKSFHYKJAIJJ-UHFFFAOYSA-N 298.333 3.759 30 20 CHED CCCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 597172455 ACAUPDWESCNTMK-INIZCTEOSA-N 286.419 3.991 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc2c(c1)COC2 742437900 YOBVIUSFQJIGQK-SNAWJCMRSA-N 270.353 3.983 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1cc(C)[nH]c1C 915138026 TZIXUMBGOMDSAN-UHFFFAOYSA-N 285.343 3.588 30 20 CHED C=C1CCN(C(=O)/C=C(\CC)c2ccc(C)cc2)CC1 741686906 OHCUSJBGCJSNAQ-DTQAZKPQSA-N 269.388 3.967 30 20 CHED C[C@@H](CC(=O)OCc1ccccc1C#N)c1ccc(F)cc1 917995330 VAGNUIIIVQDXSO-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED C=CCc1ccc(OCc2cc(C)ccn2)c(OC)c1 682883267 ITWFJRUZKLXIEO-UHFFFAOYSA-N 269.344 3.706 30 20 CHED CCOc1cc(C=NNc2ccc(C)cc2)ccc1OC 916250639 QDAVZGXFZYAIIX-UHFFFAOYSA-N 284.359 3.848 30 20 CHED C=CCCC(=NNCCc1ccccc1F)C1CC1 747765994 MQRVZFUYYDOHES-UHFFFAOYSA-N 260.356 3.690 30 20 CHED C=CCNc1nnc(COc2cc(C)ccc2C(C)C)o1 849159748 SPDNDNHIDGLLRP-UHFFFAOYSA-N 287.363 3.678 30 20 CHED C#CCCCNCc1ccc(OCc2ccccc2F)cc1 742385136 SFIBHBZQEKJHGP-UHFFFAOYSA-N 297.373 3.908 30 20 CHED N#CCCCC(=O)Nc1ccc2c(c1)CCCCC2 593314436 PSCZCUBBUDCCBS-UHFFFAOYSA-N 256.349 3.588 30 20 CHED Cn1c(NN=Cc2coc3ccccc23)nc2ccccc21 746565774 RDCZFDZCWWQEPW-UHFFFAOYSA-N 290.326 3.766 30 20 CHED CS[C@@H](C(=O)OCc1cccc(C#N)c1)c1ccccc1 740363195 OQSDRECVFJBAKF-MRXNPFEDSA-N 297.379 3.706 30 20 CHED N#CC1(CCCCN(CC2CC2)CC2CC2)CCC1 929983417 BUMHKSIVLLOABG-UHFFFAOYSA-N 260.425 3.973 30 20 CHED C=C[C@H](C)ON=C[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 844621169 VIQABOUZHOHGPK-GXTWGEPZSA-N 296.411 3.647 30 20 CHED Fc1cc(NN=C[C@H]2CCC[C@H](C(F)(F)F)C2)ccn1 853331870 JDPWLOBKLVKQGD-UWVGGRQHSA-N 289.276 3.987 30 20 CHED FC(F)(F)[C@H]1CCC[C@H](C=NNc2ccccn2)C1 853269338 SVFKLNDDPFBHST-QWRGUYRKSA-N 271.286 3.848 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc3c(c2)CCN3C)c1 751524889 SYDOCZUDLGCTLZ-VQHVLOKHSA-N 277.367 3.883 30 20 CHED FC(F)(F)[C@@H]1CCC[C@@H](C=NNc2ccccn2)C1 853269334 SVFKLNDDPFBHST-GHMZBOCLSA-N 271.286 3.848 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1OC 850485456 IWERYKMKZKIFQO-GOSISDBHSA-N 294.398 3.850 30 20 CHED CC(C)Oc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1 924634919 WIHKTJOFZLKQRL-CQSZACIVSA-N 274.408 3.892 30 20 CHED CO[C@H](C/N=C/c1cc(Cl)ccc1O)C1CCCC1 852998178 IAYPGIZSSVNJDP-GFHWABCWSA-N 281.783 3.670 30 20 CHED C#CCCCC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 757871144 KOCXSQUUNVOLQW-GJZGRUSLSA-N 263.425 3.759 30 20 CHED C=C(C)CN(CC)C[C@H](O)c1ccc(Cl)cc1Cl 759114185 RVBBNTPKQXGCJF-AWEZNQCLSA-N 288.218 3.925 30 20 CHED N#C[C@@H](C(=O)C1(C(F)(F)F)CCCCC1)c1ccccn1 850757174 XGRUXOMIKIFWPZ-LLVKDONJSA-N 296.292 3.771 30 20 CHED Cc1ccc(NN=Cc2cnn(Cc3ccccc3)c2)cc1 751341814 CSOMMEVCVFVOMR-UHFFFAOYSA-N 290.370 3.686 30 20 CHED C#CCNC(=S)Nc1cccc(Sc2ccccc2)c1 758236006 VRSXHIVNQAOZBV-UHFFFAOYSA-N 298.436 3.757 30 20 CHED CC(C)OCCON=C[C@H]1CCC[C@H](C(F)(F)F)C1 853349029 QUMNBIRQWMPDGT-RYUDHWBXSA-N 281.318 3.783 30 20 CHED C#CC[C@@H](NC(=O)Nc1ncc(CC)s1)c1ccccc1 757912269 CBNOMQASNRIYRR-CQSZACIVSA-N 299.399 3.592 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C(C)(C)C)C(F)(F)F 933660042 XGLPQGZZWYIIIK-GXSJLCMTSA-N 265.319 3.682 30 20 CHED CC#CCCCC(=O)OCc1ccccc1OC(C)C 767667660 QYEMWLRWSVYRJK-UHFFFAOYSA-N 274.360 3.711 30 20 CHED C#C[C@@H](OC(=O)[C@H]1CCC(F)(F)C1)c1ccc(C)cc1 860961173 ABPACUMGWPMWPG-UONOGXRCSA-N 278.298 3.648 30 20 CHED CCCCCC[C@@H](CC)C(=O)N[C@@H](C#N)C(C)C 766642603 XRDAWKWHHCGSIY-KGLIPLIRSA-N 252.402 3.647 30 20 CHED N#CCC1(COC(=O)Cc2cc(Cl)cc(Cl)c2)CC1 860252851 WRNZVZOXWHHRGH-UHFFFAOYSA-N 298.169 3.773 30 20 CHED Cc1cc(OC(=O)CCSc2ccccc2)ccc1C#N 765117368 CRHMKRXCSSPFAZ-UHFFFAOYSA-N 297.379 3.955 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1Cl)c1cccc(O)c1 761476746 KCRQKXNDUGBHRO-GQCTYLIASA-N 294.137 3.990 30 20 CHED N#CC1(COC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 768109797 LLNKOQORIQQZTB-SOUVJXGZSA-N 275.392 3.830 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CC(C)(C)c1ccc(F)cc1 865077335 GFSVQXSSJCLKCZ-KRWDZBQOSA-N 290.382 3.548 30 20 CHED CC(=NNc1cccc(C)n1)c1ccc2c(c1)CCCO2 863160657 NSMVPDJLPADIOS-UHFFFAOYSA-N 281.359 3.551 30 20 CHED Fc1ccccc1NN=Cc1cnc(C2CCC2)s1 760240039 RAMDOJJOEMGIDB-UHFFFAOYSA-N 275.352 3.996 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H](OC(C)=O)C1 765066106 NHTLRCRUDUVYBP-MRXNPFEDSA-N 297.439 3.681 30 20 CHED Cc1cc(OC(=O)c2cnc(C(C)C)s2)ccc1C#N 765091422 ISXJMCLHXMDSPC-UHFFFAOYSA-N 286.356 3.666 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 879496698 JLOSBABRKFETMB-CQSZACIVSA-N 289.423 3.560 30 20 CHED C=CCC[C@H](NCc1cc(N)cc(F)c1)c1ccco1 873288307 BEBBVSBWSKQBQH-HNNXBMFYSA-N 274.339 3.798 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@H](C)C(C)(C)C 770289173 GMXOUZOWZUGJNR-NSHDSACASA-N 273.380 3.670 30 20 CHED C=CC(C)(C)CC(=O)N1CCCC[C@H]1c1nccn1CC 879850646 CVXIWCKMQJDHGE-AWEZNQCLSA-N 289.423 3.559 30 20 CHED C=C(CC)COC(=O)CCC(=O)c1ccc(Cl)cc1 773437785 XPIPYNGFAWCDAQ-UHFFFAOYSA-N 280.751 3.812 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SC/C=C\Cl 777567002 OPKYEFLHPBOGKG-RJRFIUFISA-N 278.686 3.817 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2c([nH]c3ccccc23)C1 879315362 HWJYTPFUNXVMMW-UHFFFAOYSA-N 282.387 3.655 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 878175472 SHGYGRFQNHVMQN-UHFFFAOYSA-N 296.414 3.963 30 20 CHED C(=NOC1CCCCC1)c1cccc(-n2cccn2)c1 777457374 RNUMZGZGIQRDOZ-UHFFFAOYSA-N 269.348 3.556 30 20 CHED COc1ccc(/C=C/C(=O)c2cscn2)cc1Cl 776192992 UVISOPHUIURAJG-DUXPYHPUSA-N 279.748 3.701 30 20 CHED C=CCCCC(=O)OCC#Cc1cccc(Cl)c1 773174576 MZDUDAZVNOEAQF-UHFFFAOYSA-N 262.736 3.591 30 20 CHED CCCCCCCNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 875765295 KOMRLSFMZNQVMC-CQSZACIVSA-N 292.427 3.617 30 20 CHED Cc1cc(C)c(NC(=O)Cc2ccccc2CC#N)c(C)c1 776728700 RJHULXROTACHPL-UHFFFAOYSA-N 292.382 3.859 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2C=CCCC2)c(F)cc1F 876351240 WAPMSSHVOGSQAJ-SNVBAGLBSA-N 276.286 3.521 30 20 CHED C=CCSCCN[C@H](CC)c1ccc2c(c1)CCCO2 772952543 HOCFSZLIMRNAFZ-MRXNPFEDSA-N 291.460 3.972 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)CC(C2CCC2)C2CCC2)C1 1122735259 JRFLLQKSAGLPEQ-DOMZBBRYSA-N 275.392 3.828 30 20 CHED CC#CCCOC(=O)CCCCC(=O)c1ccc(F)cc1 778572529 VDKRQJBZEQDLLC-UHFFFAOYSA-N 290.334 3.525 30 20 CHED C=C1CCC(C(=O)Nc2ccc(-c3csnn3)cc2)CC1 888350540 VAUXMIDUTKPJQE-UHFFFAOYSA-N 299.399 3.890 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)s1 782194960 SPEMTBHPMUGELT-ONEGZZNKSA-N 274.732 3.564 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ncncc1Cl 780280564 RJBIGYUQKVYLPX-VIFPVBQESA-N 254.765 3.744 30 20 CHED COc1cc(NN=C(C)c2cscn2)ccc1Cl 788467075 BOOASICPFLVQRC-UHFFFAOYSA-N 281.768 3.641 30 20 CHED Cc1cnc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c(C)c1 1122720775 FRWZZKLAXJOBBK-GFCCVEGCSA-N 299.399 3.768 30 20 CHED CC(=O)c1cc(C(=O)OCCCC(C)(C)C#N)ccc1C 789134666 GDXNSJSDEBNJFL-UHFFFAOYSA-N 287.359 3.684 30 20 CHED N#CCCCCOC(=O)CCCCc1ccccc1 885623976 RPSZLPYVDKHWPE-UHFFFAOYSA-N 259.349 3.636 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)OCc1cn2ccccc2c1C#N 780244703 DPTMNSDWLDOELE-OLZOCXBDSA-N 284.359 3.536 30 20 CHED C=CCCCCCOC(=O)c1ccc(N)cc1Cl 783110610 MBMCOHSCALQJFZ-UHFFFAOYSA-N 267.756 3.825 30 20 CHED O=C(/C=C/c1sccc1Cl)c1cscn1 782352301 RUTWSBLQQKQRSN-OWOJBTEDSA-N 255.751 3.754 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2ccc(CF)cc2)c1 1126842720 AVKFXMUXVAHMCB-UHFFFAOYSA-N 287.265 3.524 30 20 CHED CC(C)(C)C1CCC(=CC(=O)NCCCC#N)CC1 784139208 UXAKKMCVMWSNGD-UHFFFAOYSA-N 262.397 3.569 30 20 CHED O=C1/C(=C/c2nccc3ccccc23)Cc2cc(O)ccc21 780188170 LRYVZZKWQZHCJK-SDNWHVSQSA-N 287.318 3.763 30 20 CHED C=C1CCC(C(=O)N2CC[C@H]2c2ccccc2)CC1 895722381 CMKQUZPKWHUQOD-INIZCTEOSA-N 255.361 3.706 30 20 CHED COc1cc(NN=C(C)c2ccncc2)ccc1Cl 788471502 CTTIQXNOFOKKNR-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C=C1CN(C(=O)CCCSc2ccc(Cl)cc2)C1 898689275 MFLQYRMSKRXJEW-UHFFFAOYSA-N 281.808 3.611 30 20 CHED CCOc1ccc(Cl)cc1CN(CCC#N)C(C)C 1204472726 YPYGWWZDRUFREX-UHFFFAOYSA-N 280.799 3.863 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)[C@H](C)C1 1208346297 SYXGQCDVKDMYJC-UEKVPHQBSA-N 289.354 3.644 30 20 CHED CC(C)(C(=O)Oc1ccccc1)c1cc(F)cc(C#N)c1 794837464 HUXMCCVVWNXEJB-UHFFFAOYSA-N 283.302 3.581 30 20 CHED C=CCC(C)(C)C(=O)OCCOc1ccccc1OCC 796462993 JPGKTGNUEITOID-UHFFFAOYSA-N 292.375 3.610 30 20 CHED COc1cccc(C=NNCc2ccc(Cl)cc2)c1F 799880944 JPYIOCBUXMBHRV-UHFFFAOYSA-N 292.741 3.611 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2nc(C)cc(C)c2c1 895060717 KUFRFERTCZLXCM-QGZVFWFLSA-N 281.359 3.730 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(F)cc1F 793181721 ZHVKZNWPOSSYGS-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CSCCON=C(C)c1ccc2ccccc2c1O 794574359 DFUJRIOBDPJTID-UHFFFAOYSA-N 275.373 3.649 30 20 CHED C#CCCNc1ccc(OC(F)F)c(C(F)(F)F)c1 795049578 RMBQGZHANFBITL-UHFFFAOYSA-N 279.208 3.742 30 20 CHED CCCCCCCCC(=O)Nc1cncc(F)c1 798536506 HWRYNMFAURDDQX-UHFFFAOYSA-N 252.333 3.910 30 20 CHED C=CCC1(C(=O)OCc2cccc(N(C)C)c2)CCC1 791816238 NZPDTAKLEUDQAG-UHFFFAOYSA-N 273.376 3.542 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)OCc1cccc(C#N)c1 796321994 KEMUUFNQBLTTFD-HOTGVXAUSA-N 271.360 3.818 30 20 CHED CCC(=NNc1cc(C)ccn1)c1cccc(C)c1 794918767 KOPRTQBGSUYWIE-UHFFFAOYSA-N 253.349 3.925 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCCC2)c1cccnc1 792858092 IBLZJLCGCOHSDW-CSKARUKUSA-N 263.340 3.857 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C(=C\C)CC 791864671 IOSUHNROJMNJEH-BNCCVWRVSA-N 257.377 3.948 30 20 CHED COc1ccccc1CON=CCCc1cnccc1C 799118471 HTUOHBXOXSYKEN-UHFFFAOYSA-N 284.359 3.534 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc(F)cc1F 799865197 XBWBWCBZBAEHCD-SNVBAGLBSA-N 268.307 3.569 30 20 CHED COCC[C@@H]1CCCC1=NNc1c(F)cccc1F 799882127 DTYNIWQELDARAT-JTQLQIEISA-N 268.307 3.569 30 20 CHED CC1(CNN=Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 793081522 MKXRHELDBSHIDJ-UHFFFAOYSA-N 295.770 3.752 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CC1(C)C 1219031170 ZOEVBQSPSVKZDN-JSGCOSHPSA-N 289.354 3.644 30 20 CHED CC(C)(C)c1nc(CNc2ccccc2C#N)cs1 134223653 RLQNVEFCULGNEY-UHFFFAOYSA-N 271.389 3.924 30 20 CHED CCOc1ccc(Nc2cc(C)c(C#N)cn2)cc1F 1306939539 GRSJHVSIUDVADP-UHFFFAOYSA-N 271.295 3.543 30 20 CHED CC[C@]1(C)CCCN(c2ncc(C#N)cc2Cl)C1 78559094 ROFYIQSJAZVLOU-CQSZACIVSA-N 263.772 3.623 30 20 CHED C=C(Cl)CN(C)[C@H]1C[C@@H](OCC)C1(CC)CC 1167818390 FTPKJRSOJAEILP-QWHCGFSZSA-N 259.821 3.655 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)CC#Cc2ccccc2)cc1 1319204300 QJAXGNIPZAHMDO-QGZVFWFLSA-N 291.394 3.956 30 20 CHED Cc1c(C#N)cccc1NCc1cc(O)cc(Cl)c1 1178831360 QMMFBBXFHSKQAS-UHFFFAOYSA-N 272.735 3.838 30 20 CHED Cc1nc2ccccc2c(C(=O)OCCC(C)(C)C#N)c1C 1320885609 PQOMLDTXVSIKIR-UHFFFAOYSA-N 296.370 3.948 30 20 CHED C[C@@H](OC(=O)CCNc1ccccc1)c1cccc(C#N)c1 1320894284 PXMSUNRRSXQBNP-CQSZACIVSA-N 294.354 3.665 30 20 CHED Cc1c(C#N)cccc1C(=O)NCCCCc1ccccc1 1322676639 WRCSNCDSGXRUQT-UHFFFAOYSA-N 292.382 3.619 30 20 CHED CCCCCCCN1CCN(C)CC12CCCCC2 749809368 IBCYGNRNQZEDCK-UHFFFAOYSA-N 266.473 3.907 30 20 CHED C=CCC1(NCc2ccc(C(C)(C)O)cc2)CCCC1 690720612 SFNZCAVYEMNBEN-UHFFFAOYSA-N 273.420 3.893 30 20 CHED CC(F)(F)C1(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 710356443 XESHRUXUCYZXSK-UHFFFAOYSA-N 284.693 3.586 30 20 CHED C=CCCCCCN1CCC([C@@H]2CCCO2)CC1 193573764 BFPPQKXCHDHLQM-INIZCTEOSA-N 251.414 3.624 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2c(C#N)cccc2C#N)o1 1322008422 ZBDWGSXXPMQZPH-NHYWBVRUSA-N 277.327 3.758 30 20 CHED CCC(CC)Cc1nnc(-c2cccc(C#N)c2)o1 1322585354 LHAIAAJMOQPLEJ-UHFFFAOYSA-N 255.321 3.587 30 20 CHED CCc1ccc(CN(c2cc(C)c(C#N)cn2)C2CC2)cc1 1184831451 XUOYICPOUCJLOM-UHFFFAOYSA-N 291.398 3.993 30 20 CHED CC(C)N(Cc1cccs1)C(=O)CC#Cc1ccccc1 1252951807 YJALXDWUXKUUJO-UHFFFAOYSA-N 297.423 3.927 30 20 CHED CC(C)(C#N)NC(=O)c1ccc(-c2cccs2)s1 1337611972 HFZWPQOJGUQNCG-UHFFFAOYSA-N 276.386 3.509 30 20 CHED COCC#CC(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1 1334375756 XVJVKULIBPXURA-GOSISDBHSA-N 299.414 3.513 30 20 CHED COc1ccc([C@@H](C)COc2ccc(C#N)cc2F)cc1 1188961682 XNYBBQIEHQOMAB-LBPRGKRZSA-N 285.318 3.888 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 785998823 OCVGFBVEKFEYOV-LBPRGKRZSA-N 280.755 3.789 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1338740643 SXZXOONAKLFJRX-SNVBAGLBSA-N 284.762 3.758 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc2c1ccn2C 1337487697 FLNFBYLCYKXKJI-AWEZNQCLSA-N 282.387 3.749 30 20 CHED C=C(Cl)COC(=O)c1cc2ccc(F)cc2s1 804711478 MAWAIJIKXVTYSD-UHFFFAOYSA-N 270.712 3.950 30 20 CHED Nc1ccc(C=NOC2CCCCC2)cc1Cl 1338401002 DDADCNCNXJKVQP-UHFFFAOYSA-N 252.745 3.605 30 20 CHED CC[C@@H](CC(=O)N[C@@H](C#N)C1CCCC1)c1ccccc1 1262108420 OWSSMNUGGGMBCF-YOEHRIQHSA-N 284.403 3.769 30 20 CHED C=CCCCCCn1nc(C)nc1-c1ccccc1 1343937429 NWLGCGHSALUKOQ-UHFFFAOYSA-N 255.365 4.000 30 20 CHED C=C(CC(C)C)C(=O)Nc1cnn(C2CCCC2)c1C 1347463173 OBXDFZAFHHFTII-UHFFFAOYSA-N 275.396 3.847 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1OC)c1ccccc1C 1352311270 HPKDAQXIINUPAP-UHFFFAOYSA-N 294.354 3.542 30 20 CHED CCCCS[C@@H](C)C(=O)O[C@H](CC#N)c1ccco1 1350311020 DGVKSQPFCHWRJF-WCQYABFASA-N 281.377 3.699 30 20 CHED N#C[C@H](C(=O)c1cccc2ccsc12)c1cccc(F)n1 1524727088 FLUKAQURZCTVJO-LBPRGKRZSA-N 296.326 3.925 30 20 CHED C[C@H](NC(=O)CCc1ccc(C#N)cc1)C1CCCCCC1 1536730101 KMRGUFZQJNEOSH-HNNXBMFYSA-N 298.430 3.966 30 20 CHED CCc1cccc(N(C)C(=O)c2cc(C#N)ccc2F)c1 1460721569 YLMUPQOZLVAMGX-UHFFFAOYSA-N 282.318 3.536 30 20 CHED CCCOC1(CN[C@@H]2CCC[C@H](C#N)C2)CCCCC1 1621313571 GYQBOGYIXPUYIH-JKSUJKDBSA-N 278.440 3.788 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N(C)[C@@H](C)CC#N 1623580580 JJYMHTWBOGECAH-DZGCQCFKSA-N 264.413 3.744 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CC(C1CCC1)C1CCC1 1626862552 JPLLOMUARURVBM-HNNXBMFYSA-N 276.424 3.744 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 1566319943 UUFMLTYCUCNDTF-SJORKVTESA-N 298.430 3.844 30 20 CHED C=CCN(Cc1cc(C(=O)O)c(CC)o1)c1ccccc1 1573368137 IVKVHWVBBQGQMM-UHFFFAOYSA-N 285.343 3.733 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)c1ccc(Cl)c(C#N)c1 1583221376 OZTAXQJORPUQNC-ZBEGNZNMSA-N 290.794 3.910 30 20 CHED CCN(C(=O)c1sccc1C#N)c1ccc(F)c(C)c1 1583934911 MNBSGXTZNFHLCQ-UHFFFAOYSA-N 288.347 3.734 30 20 CHED C[C@H](Nc1cc(C#N)cnn1)c1cccc(C(F)(F)F)c1 1654867028 KRDUGUSRFOCXHC-VIFPVBQESA-N 292.264 3.540 30 20 CHED C[C@H](CC(=O)N(CCC#N)CC(C)(C)C)C(C)(C)C 108814900 FRTHZXVYGSLGKE-CYBMUJFWSA-N 266.429 3.847 30 20 CHED CSc1cc(Cl)ccc1NCc1cccc(C#N)n1 1665229813 RFOSCYLCOOFWKY-UHFFFAOYSA-N 289.791 3.941 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 1669297118 OKUZEEJHKWSPPX-SOUVJXGZSA-N 297.402 3.815 30 20 CHED CCC[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1CCC1 1672080914 WKORWYZWOWHRJA-HNNXBMFYSA-N 289.354 3.788 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)o2)c(C)c1 1776133225 QEKOYJSKHJLHBI-PCCLLEMOSA-N 296.322 3.890 30 20 CHED C=C(CNC(=O)NC1(CC(C)C)CC1)c1ccccc1 1686697592 YZLOFWRTVIUFTJ-UHFFFAOYSA-N 272.392 3.578 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2ccccc2C(=O)O)C1 1776030569 PWGAVWHZIJUIFQ-OLZOCXBDSA-N 274.364 3.999 30 20 CHED COc1ccc(N[C@H](C)c2ccc(C#N)cc2)c(OC)c1 19903392 OIDSJHZHLHCTMS-GFCCVEGCSA-N 282.343 3.749 30 20 CHED C#CCCCCNC(=O)Nc1c(CC)cccc1CC 150790103 BGDXZYODEFFNIF-UHFFFAOYSA-N 272.392 3.736 30 20 CHED C=CCN(Cc1ccn(C)c1)Cc1ccc(Cl)s1 162788516 PVNFJEPCZMXWQI-UHFFFAOYSA-N 280.824 3.928 30 20 CHED O=C1/C(=C\c2cccs2)CCc2c(O)cccc21 165327261 UWNLJTWZWNMUQS-KTKRTIGZSA-N 256.326 3.666 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 153153148 JLLFWIGONGBRKL-CJNGLKHVSA-N 295.810 3.648 30 20 CHED C=C(Cl)C[S@@](=O)[C@H]1CCc2c(Cl)cccc21 154001830 YAPFJSKVCBADNO-LRDDRELGSA-N 275.200 3.829 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1c1cccc(C)c1C 156252158 JFLHYHJKBDDQFV-MRXNPFEDSA-N 272.392 3.726 30 20 CHED C[C@H]1C[C@@H](C)CCN(C(=O)Nc2ccc(CC#N)cc2)C1 156256265 FAKUBEYZGHCFAN-KBPBESRZSA-N 285.391 3.653 30 20 CHED CC[C@@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 157835552 SCQMCYJWODCFCH-QGZVFWFLSA-N 296.345 3.507 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(-c2nc3ccccc3s2)o1 154307953 BKSRLESHRRFGRC-JTQLQIEISA-N 298.367 3.861 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)C2CCCCC2)cc1 157498777 RFUARCYSRRCILR-AWEZNQCLSA-N 272.392 3.742 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1ccc(SCC)cc1 156762342 WXXAWJHVHSTNBQ-LBPRGKRZSA-N 278.421 3.735 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1cccc(C#N)c1F 219514241 MHZATXBAOIMBHX-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=CCCOCCN[C@H]1CC[C@@H](C)c2ccccc21 222446768 LGSGJIUSQMSRBA-PBHICJAKSA-N 259.393 3.807 30 20 CHED CCC1(CNCc2ccc(OC)c(C#N)c2)CCCC1 230199995 UVXHLCKIWPFONA-UHFFFAOYSA-N 272.392 3.627 30 20 CHED C[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc(C#N)cc1 36991911 BSDDYYPQBSZWQR-STQMWFEESA-N 266.344 3.676 30 20 CHED N#Cc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1F 51637658 MKQRYHXQGRHITC-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC1(C)CCCC[C@@H]1NCc1ccc(C#N)c(F)c1 404138444 YTVZCPXXTMVKOL-HNNXBMFYSA-N 260.356 3.756 30 20 CHED Cc1ccc(F)c(NCc2ccc(C#N)c(F)c2)c1 404246599 HBZZQLDGCBAQLW-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C[C@@H](c1ccccc1F)N(C)c1ncc(C#N)cc1Cl 513639816 GLUYBMHULRWRET-JTQLQIEISA-N 289.741 3.943 30 20 CHED COc1ccccc1Sc1ncc(C#N)cc1Cl 513650958 UHYUXMRSVXKYFK-UHFFFAOYSA-N 276.748 3.766 30 20 CHED N#CCc1cccc(NCc2cc(F)cc(F)c2)c1 313501915 XHNFEULEWGRBPL-UHFFFAOYSA-N 258.271 3.643 30 20 CHED N#CCc1cccc(NC(=O)[C@H]2CCCCC2(F)F)c1 313505482 ANGAYQYYXPVGPJ-CYBMUJFWSA-N 278.302 3.517 30 20 CHED C=C1CCN(Cc2cc(Br)cs2)CC1 353305741 DBSNOGPYTFDZEE-UHFFFAOYSA-N 272.211 3.663 30 20 CHED Cc1c(C(=O)N(C)[C@H](C)CC#N)sc2cccc(F)c12 336382689 CITICMUYXVDPFW-SECBINFHSA-N 290.363 3.723 30 20 CHED N#Cc1cnc(Oc2ccc3cccnc3c2)c(Cl)c1 359847317 ADJMGRIWAPVMKM-UHFFFAOYSA-N 281.702 3.947 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 716915798 KJNHUXNDWFDPSP-NRUUGDAUSA-N 274.751 3.586 30 20 CHED CCC[C@H](CNc1cccc(OCCCC#N)c1)OC 386582521 PHFPOPGSBUOVAL-MRXNPFEDSA-N 276.380 3.596 30 20 CHED CCON=Cc1ccccc1OCc1ccccc1 767461994 MUMFSJSGBGMERD-UHFFFAOYSA-N 255.317 3.636 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2F)cc1 3547822 FVXJQZLSJICRKW-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC(C)Oc1ccc(C(=O)OCc2cccc(C#N)c2)cc1 4331698 UJURLALPYSAEHO-UHFFFAOYSA-N 295.338 3.702 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2C)c1 7744021 WBRBCZGBOGHTCG-ZHACJKMWSA-N 279.339 3.850 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 28437300 PZQFLVBWYXZSHQ-IRXDYDNUSA-N 294.329 3.634 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC[C@@H](C)C1 35253278 VVFPLSYZGWDJKC-GDBMZVCRSA-N 259.393 3.920 30 20 CHED COc1c(C)ccc(NCc2cccc(C#N)c2)c1C 37125759 HWFGNXIHXOGSGJ-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CCN[C@H](c1ccccc1)c1ccc(OC)cc1 37373630 XPDJERGXOLGOPL-QGZVFWFLSA-N 253.345 3.560 30 20 CHED N#Cc1ccc(Nc2ccc(Cc3ccncc3)cc2)nc1 42816859 VBNCPSZYJPWDLU-UHFFFAOYSA-N 286.338 3.683 30 20 CHED CCCCOCCNc1ccc(C#N)c(C(F)(F)F)c1 45109546 FFISKMYTXOHNJL-UHFFFAOYSA-N 286.297 3.806 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C)cc2)cc1 49873526 UYHOZDAANMJCIH-QGZVFWFLSA-N 278.355 3.552 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1sccc1C#N 52030192 HZMUIIJPQMIOEG-UHFFFAOYSA-N 284.384 3.591 30 20 CHED COc1ccc([C@@H]2CCCCCN2CCCC#N)cc1 52711766 DWKUNUAJVZGOJM-KRWDZBQOSA-N 272.392 3.916 30 20 CHED N#Cc1ccc(N(CC2CCCCC2)C2CC2)nc1 59402393 AITBJXXLVOWZTL-UHFFFAOYSA-N 255.365 3.502 30 20 CHED CCn1nc(C)c(/C=C2\CCc3ccccc3C2=O)c1C 60370820 CIQUTPVUZPZKAI-RVDMUPIBSA-N 280.371 3.732 30 20 CHED CC1(C)CCCN(c2nc3ccccc3cc2C#N)C1 71390191 QUZBVNPZCOXXNE-UHFFFAOYSA-N 265.360 3.733 30 20 CHED CN(CCC(=O)Nc1ccccc1C#N)C1CCCCCC1 74023390 XQHYLTREONYUHT-UHFFFAOYSA-N 299.418 3.541 30 20 CHED CCSCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 76153234 ZXLQSOUEBDANQQ-JKSUJKDBSA-N 274.433 3.511 30 20 CHED C/C(=C\C(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1 77599897 RLVQOLSZZGDXFB-RVDMUPIBSA-N 290.366 3.620 30 20 CHED N#CCN(C(=O)c1cccc(Cl)c1Cl)C1CCCC1 78003081 SRJWACBJTVILCE-UHFFFAOYSA-N 297.185 3.902 30 20 CHED C=CCNC(=O)c1ccccc1NC(=O)CCCCCC 78537791 LXZOMQZKPHKWOL-UHFFFAOYSA-N 288.391 3.511 30 20 CHED CC1(C)CCC[C@@H](Nc2ccc(OCC#N)cc2)C1 79971654 LGLFLWLJGLKKSU-CQSZACIVSA-N 258.365 3.970 30 20 CHED CC[C@H](C#N)OC(=O)C[C@@H](c1ccccc1)C(F)(F)F 84712386 VVSWPVUQZHSCOI-NEPJUHHUSA-N 285.265 3.568 30 20 CHED COc1ccc(CNc2cccc(C)c2C)cc1C#N 87822459 GWJNQCIMIATFKW-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CCOc1ccc2c(c1)CN(CC(C)(C)CCC#N)CC2 92666725 BUDJXRWUVUEZNZ-UHFFFAOYSA-N 286.419 3.773 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)CC2CCCC2)cc1 92667251 NMZCEXIAWUIUHJ-AWEZNQCLSA-N 272.392 3.599 30 20 CHED CC(C)(C)C#Cc1cc(Br)c(C(=O)O)s1 98181077 UXLIIHJCQXWRBJ-UHFFFAOYSA-N 287.178 3.606 30 20 CHED C=CCCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 102225368 IPCGBAWUAAVDQY-AWEZNQCLSA-N 257.377 3.780 30 20 CHED CC(C)Cc1ccc(C(=O)N(CCC#N)CC2CC2)cc1 103438466 KLBJFFIVPYFPIZ-UHFFFAOYSA-N 284.403 3.651 30 20 CHED C=CC1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 111705576 RXAQFRJYJIHMHO-UHFFFAOYSA-N 284.403 3.995 30 20 CHED CC(C)Oc1nnc(S[C@H](C#N)C2CCCCC2)s1 115187436 SLYAZZODYIKXKK-LLVKDONJSA-N 297.449 3.890 30 20 CHED C[C@H](SCc1ccc(C(N)=O)cc1)c1ccc(C#N)cc1 118443807 WDLIVPDUNSKTKB-LBPRGKRZSA-N 296.395 3.652 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)s1 119379514 VZYCBDSHFDLYRV-LBPRGKRZSA-N 256.374 3.813 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)CCCSCC#N 120844722 FDHWPVWDEMOGOW-ZIAGYGMSSA-N 254.443 3.534 30 20 CHED CC#CCN(C)[C@@H](C)c1sc(C(C)C)nc1C 120990725 BEILZISPVGNATN-LBPRGKRZSA-N 250.411 3.591 30 20 CHED CC[C@@H](C#N)Nc1cccc(NC(=O)c2ccccc2)c1C 122211680 PAOMKWDRBCOOGS-HNNXBMFYSA-N 293.370 3.961 30 20 CHED C#CCCCCC(=O)Nc1cncc(Cl)c1Cl 122291080 PDBLEUXHHHGDHB-UHFFFAOYSA-N 271.147 3.521 30 20 CHED C=CCN1CCC(N[C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 123193617 HKUJHSGIFIELTH-OALUTQOASA-N 298.474 3.809 30 20 CHED CCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 127382713 BYEDTCLTVBYBBY-UHFFFAOYSA-N 280.371 3.589 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(Cl)s1 129337617 BYGWTLIOJSFPBJ-VIFPVBQESA-N 261.843 3.971 30 20 CHED COc1cccc(/C=C2/Cc3c(F)cc(F)cc3C2=O)c1 131187377 FWOAVBGNCMFDMU-WZUFQYTHSA-N 286.277 3.796 30 20 CHED CCCCCCCCC(=O)Nc1cccnc1OC 131381508 CUDKCZPHMRBAFY-UHFFFAOYSA-N 264.369 3.779 30 20 CHED Cc1cccc2c(CCC(=O)O[C@@H](C)C(C)(C)C#N)c[nH]c12 131630955 FKNYHCNVACBZHR-ZDUSSCGKSA-N 298.386 3.890 30 20 CHED C=CCCS[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC 151983550 MFBQCUILNBSREV-QWHCGFSZSA-N 293.432 3.570 30 20 CHED C#CCCCCNC(=O)N1CCC2(CCCCC2)CC1 154989300 HOVIIGLNGDTLPI-UHFFFAOYSA-N 276.424 3.546 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccccc1F 156860278 JGCVRXCAYTYWNT-UHFFFAOYSA-N 263.356 3.573 30 20 CHED CC#CCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 157706290 ZIYLVHCFXDGSAE-UHFFFAOYSA-N 288.778 3.684 30 20 CHED Cc1ccc(OC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 158599859 IJXGDEOEWZKAJP-UHFFFAOYSA-N 295.338 3.630 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H](C)CSC)c1ccccc1 158682886 JQBPCAILWROHDV-ZFWWWQNUSA-N 292.448 3.745 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ccccc1CCC(F)(F)F 162319108 GTRJQXDYVRVTDI-JTQLQIEISA-N 299.296 3.605 30 20 CHED C=CC[C@@H](C)N[C@@H](CC)c1ccc(OC)c(OC)c1 163330230 RAJXAYLAOCYNDV-OCCSQVGLSA-N 263.381 3.709 30 20 CHED C=CCCCCCN(C)C(=O)c1cnn(CC(C)C)c1C 163410779 MDYDRBNUMSEDEI-UHFFFAOYSA-N 291.439 3.666 30 20 CHED O=C1/C(=C/c2nc(-c3ccccc3)c[nH]2)Cc2ccccc21 171909579 QUIYJHOINVZYRJ-RVDMUPIBSA-N 286.334 3.899 30 20 CHED C=CCCCCCN(C)C(=O)NCc1nc(C)c(C)s1 174307061 WPCGDCMRJXTCFW-UHFFFAOYSA-N 295.452 3.648 30 20 CHED C=CC1CCN(C(=O)c2oc(-c3ccccc3)nc2C)CC1 174779857 PXLNFVDVTCOEOE-UHFFFAOYSA-N 296.370 3.688 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC[C@@H]1CC[C@H](C)O1 175839328 CDSJUSPDWAGOIS-RDJZCZTQSA-N 287.403 3.549 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)NCCCCC#N)c1C 176387232 LXHRKZLDIOSTSG-KRWDZBQOSA-N 299.418 3.844 30 20 CHED C[C@H](CC1CCCC1)C(=O)N[C@H](C#N)C1CCCCC1 176634676 XQVSJRASBZRNRG-CZUORRHYSA-N 276.424 3.791 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1sc(CC)nc1C 176864496 KWYSUYLXKCDYGR-ZYHUDNBSSA-N 295.452 3.681 30 20 CHED C=C[C@@H](CC(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1 179170886 DFYXNTMZHAZYOL-AWEZNQCLSA-N 297.402 3.937 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2O)c(C)n1C(C)C 179739755 OOFCQFLDESAENV-UHFFFAOYSA-N 297.358 3.515 30 20 CHED C=CCOCCCC(=O)Nc1c(F)cc(Cl)cc1F 180328836 HLXZCDCRISCMPQ-UHFFFAOYSA-N 289.709 3.540 30 20 CHED C=C(C)CN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 180444048 ZXXHFHLYYVOEJY-LLVKDONJSA-N 263.406 3.521 30 20 CHED CO[C@@H](C)CCC(=O)Nc1cc(C(C)(C)C)sc1C#N 181784487 MTIHJXOPZYLHJW-JTQLQIEISA-N 294.420 3.671 30 20 CHED CC[C@H](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)C(C)C 183927216 HOMLJSQBAVCBMY-BEFAXECRSA-N 298.430 3.626 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1ccccc1 187583774 XVLOJXWJKBALBJ-XJKSGUPXSA-N 262.349 3.520 30 20 CHED CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cccc(C#N)c1C 187617474 XUZBJLREOPMGGF-NHYWBVRUSA-N 271.364 3.519 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C2CCC2)cc1 190311515 IEQPWDPKNTXIJH-UHFFFAOYSA-N 255.361 3.768 30 20 CHED CCN(C(=O)c1ccc(C#N)c(O)c1)c1cc(C)cc(C)c1 190317062 UPUJVNSUYNGXPR-UHFFFAOYSA-N 294.354 3.547 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC(C)(C)OC(C)(C)C1 190527842 WFOUIFXMGUALFH-CYBMUJFWSA-N 272.392 3.509 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccco2)cs1 190746094 GHGVAJGEKRZGDX-CQSZACIVSA-N 276.361 3.944 30 20 CHED C=C(C)COC(=O)c1ccc(C2SCCS2)cc1 194279936 GITYTNPRVIWWKJ-UHFFFAOYSA-N 280.414 3.898 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)c1 207710012 BGCJOUMLMPSIOR-HYXAFXHYSA-N 294.350 3.971 30 20 CHED COc1cc(CN(C)[C@H](C)c2cccs2)ccc1C#N 234937324 LTULHAIJBTXGQV-GFCCVEGCSA-N 286.400 3.821 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NCc2cc(C#N)cs2)c1 237482150 GTFFDXBLBCAUBX-CQSZACIVSA-N 284.428 3.957 30 20 CHED C[C@@H](NCCCCN1CCCC[C@H]1C)c1cccc(C#N)c1 245842645 DWPYRIXZAYGNAV-IAGOWNOFSA-N 299.462 3.863 30 20 CHED CCOc1ccc(C=NOCc2cc(F)ccc2F)cc1 255212356 GUBIFQIZJARARS-UHFFFAOYSA-N 291.297 3.914 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)cn1 255414675 CMDRRXAODHKYRP-ARJAWSKDSA-N 294.276 3.777 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1 255555041 STVYFIPGQDPSJJ-FLIBITNWSA-N 277.323 3.601 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1cc2ccccc2o1 255639107 OQROGDFCNCJFRT-HJWRWDBZSA-N 288.306 3.977 30 20 CHED N#Cc1ccccc1/C=C\C(=O)NCc1ccc(Cl)cc1 255657239 FXWALDPXFKSAOF-YFHOEESVSA-N 296.757 3.541 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1F)c1ccco1 255685842 YZYGEXIDUOGSEW-UTCJRWHESA-N 250.656 3.968 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)C(C)(C)C 265210058 DWEYBBYMFYBCDK-NSHDSACASA-N 274.364 3.578 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1nc2ccccc2n1CC 267194223 POIQXBBKZCWPKW-ZDUSSCGKSA-N 285.391 3.590 30 20 CHED CCN(C(=O)[C@@H]1CC1(C)C)[C@H](C)c1ccc(C#N)cc1 269699459 INUVUUIEVVAOHR-DOMZBBRYSA-N 270.376 3.514 30 20 CHED C=CCN(C(=O)c1csc2ccccc12)C1CC1 271537313 OXFPIUGQVUWMLC-UHFFFAOYSA-N 257.358 3.692 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1CCC(C)(C)C#N 271953800 BPOJYCUJVGOADA-GOEBONIOSA-N 256.393 3.804 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 276479484 YOLNVPMWBZVQAE-ZIAGYGMSSA-N 297.320 3.843 30 20 CHED CCCCCCCCCCN[C@H](C)c1ccc(=O)[nH]n1 286239764 TXGCBGCAFCXVDI-CQSZACIVSA-N 279.428 3.561 30 20 CHED C=C[C@](C)(CC)c1nc([C@H]2CCC(F)(F)C2)no1 289081589 JQHIKCJXXUFQPC-JOYOIKCWSA-N 256.296 3.826 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc3cc[nH]c3c2)no1 289186067 SMNMXMWFUFYPJM-KRWDZBQOSA-N 297.358 3.698 30 20 CHED CN(CCC#N)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 289357691 MKECJTMIQVCDMM-UHFFFAOYSA-N 278.783 3.623 30 20 CHED Cc1cccc(C2(c3noc(C4(C#N)CCCC4)n3)CC2)c1 290208436 WUGKLMZJPSTXMU-UHFFFAOYSA-N 293.370 3.793 30 20 CHED CC[C@H](OC(=O)CCCC#N)c1ccc(F)cc1F 291339978 VCKGGMYSUJNDCC-ZDUSSCGKSA-N 267.275 3.653 30 20 CHED C=CCN(CCC#N)Cc1cnc(-c2ccccc2)s1 292193783 NIBPNUWUSMDVKX-UHFFFAOYSA-N 283.400 3.712 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)[C@H](C)c1ccccc1 295138706 IVGKQAITYCPIQW-YZVOILCLSA-N 296.414 3.769 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(OC(C)C)c1 296929555 DABJZAXPEJGQEG-UHFFFAOYSA-N 274.364 3.680 30 20 CHED Cc1nc(C(=O)N(CCC(C)C)C2CCCC2)ccc1C#N 298346517 NTMRUGUOWLKSCX-UHFFFAOYSA-N 299.418 3.693 30 20 CHED N#Cc1ccc(NCCOc2ccc(Cl)cc2)cc1 301076867 HLTUVXFSHBCYMH-UHFFFAOYSA-N 272.735 3.703 30 20 CHED CC[C@H](CNc1ccc(C#N)nc1)Oc1cccc(C)c1 301595924 ZDEIKZLSEDBARY-MRXNPFEDSA-N 281.359 3.531 30 20 CHED N#Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccccc2)C1 301644066 CJCOAMBPUUOHEX-QGZVFWFLSA-N 295.361 3.778 30 20 CHED C[C@H](Nc1cccc(C#N)n1)C(C)(C)c1ccccc1 301851506 PMSPGVNNRSWCMC-ZDUSSCGKSA-N 265.360 3.731 30 20 CHED C[C@@H](Sc1ccc(C#N)nn1)c1ccc(Cl)cc1 302015643 YGYZBVNOPWKOKF-SECBINFHSA-N 275.764 3.855 30 20 CHED C=CCC(C)(C)CNCc1cccc2cccnc12 311806257 CCUVLQYUHWORJQ-UHFFFAOYSA-N 254.377 3.927 30 20 CHED CCc1ccc([N+](=O)[O-])cc1NCc1ccc(C#N)cc1 315130242 MCOGKHOMPMTDFW-UHFFFAOYSA-N 281.315 3.641 30 20 CHED Cc1nccc(N/C(O)=N/[C@@H]2CCCCC23CCCC3)n1 329598160 CZJSVUXSONHHQJ-CYBMUJFWSA-N 288.395 3.614 30 20 CHED Cc1coc2ccc(N=C(O)[C@]3(C)CCOC3)cc12 330109914 PVLREIVZSYUVQT-OAHLLOKOSA-N 259.305 3.756 30 20 CHED Cc1cccc(C(O)=Nc2cc(C)nc(C(C)C)n2)c1 330672622 DOPGHGDWSYQYCQ-UHFFFAOYSA-N 269.348 3.853 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)[C@]1(C#N)CC12CCCC2 333025802 ANZBYQQSKCNHKB-RDTXWAMCSA-N 288.435 3.936 30 20 CHED C=CCCC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 335105165 UDTHSIXPCNNRQR-RYUDHWBXSA-N 261.340 3.626 30 20 CHED N#Cc1ccsc1NC(=O)c1sccc1Cl 336034135 IEQVGGVFXMHQQY-UHFFFAOYSA-N 268.750 3.587 30 20 CHED C[C@@H]1c2ccccc2CN1C(=O)[C@]1(C#N)CC12CCCC2 336226639 ZZXRPCQATQVYQY-FZKQIMNGSA-N 280.371 3.564 30 20 CHED N#CC1(CCCN2CC[C@H]2c2ccccc2)CCOCC1 337185166 OGNZKIRQDBNDCM-KRWDZBQOSA-N 284.403 3.534 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(F)cc1C 337675991 SEZAWMKETOJXGX-QGZVFWFLSA-N 296.345 3.887 30 20 CHED CC1(CC(=O)Nc2ccc(C#N)c(C#N)c2)CCCCC1 337966059 CIMNPMDRXXTKQG-UHFFFAOYSA-N 281.359 3.729 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc2c1OCCO2 338212365 MGOSSBMBUXONBA-UHFFFAOYSA-N 295.382 3.646 30 20 CHED C=CCCC(=O)Nc1nc(-c2cccc(F)c2)cs1 338628391 OQUUBPOXMRCGAL-UHFFFAOYSA-N 276.336 3.854 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCC[C@@H]1F 340525630 WZXQARQQXKRSQJ-YESZJQIVSA-N 272.367 3.806 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccc(C#N)cc1 341117871 XBRWFKFEPGAHNR-UHFFFAOYSA-N 294.329 3.526 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(F)c(C#N)c1 341396971 BIAZPPYXNVYFOP-WBMJQRKESA-N 288.366 3.738 30 20 CHED C=CCCCC(=O)N(C)c1cccc2cccnc12 341431708 XDFKQCLSHFLFTG-UHFFFAOYSA-N 254.333 3.554 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCCCc2ccc(Cl)cc21 341884701 WJQOUWZJVHDGRT-SUMWQHHRSA-N 293.838 3.882 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)cc2cccnc12 341972120 RLGBHSHSQULQDJ-UHFFFAOYSA-N 269.348 3.583 30 20 CHED C[C@H](SCCC(C)(C)C#N)C(=O)N(C)c1ccccc1 341995793 DGRUCNVQCWBPEY-ZDUSSCGKSA-N 290.432 3.711 30 20 CHED N#Cc1ccnc(N2CCCC3(CCCCC3)C2)c1 342196755 DNBACIFUJNZDNC-UHFFFAOYSA-N 255.365 3.504 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2ccc3ccoc3c2)c(F)c1 344004733 YVSZDDMVKIHXHG-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CCCN(CC)C(=O)c1cn(CCCC#N)c2ccccc12 345681544 CXUZJHAWJBCAOU-UHFFFAOYSA-N 297.402 3.817 30 20 CHED CCO[C@@H](CCN[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C 346228561 ZAFVQFJZSDPNSX-GUYCJALGSA-N 292.398 3.799 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C(C)C)sc2ccc(F)cc12 347283097 XRUWYVOIJMXWSV-GFCCVEGCSA-N 290.363 3.627 30 20 CHED COc1ccsc1[C@H](C)NCC(C)(C)CCC#N 348216516 OIRPNJHLRKOZRV-NSHDSACASA-N 266.410 3.737 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCCOc2ccccc21 348240482 CVOCFXICEOBJEM-OAHLLOKOSA-N 272.392 3.820 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc3n[nH]cc3c2)ccc1C#N 353104661 WVUFLYYCSGQHTN-ZDUSSCGKSA-N 290.370 3.594 30 20 CHED CCc1ccc([C@@H]2CCCN(CCCC#N)C2)cc1 353265411 IYPAVGLYWCBDBN-QGZVFWFLSA-N 256.393 3.732 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC[C@@H](C)SC 358544508 MLWAXTWHDFAUGE-GFCCVEGCSA-N 283.462 3.794 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 359442572 UNIDHCFVFAUZRB-HUUCEWRRSA-N 276.424 3.767 30 20 CHED CO[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 359908411 XXPPQPMNEKGDAM-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C=CCCC(=O)Nc1cccc2c1CN(c1nccs1)C2 360732804 JUQSGHIOUAJYKF-UHFFFAOYSA-N 299.399 3.568 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc([C@H]2CC2(C)C)no1 361020993 BWNOXQDKGCECCF-GXFFZTMASA-N 267.332 3.607 30 20 CHED C=CCN(CCOC)Cc1csc2ccccc12 361636782 ITMQASIWZHQTDG-UHFFFAOYSA-N 261.390 3.536 30 20 CHED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCCC 365080674 AQXYVIHDRIAPGX-UHFFFAOYSA-N 295.386 3.702 30 20 CHED C#CCCCC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 372952621 HCMKGQMLXUTMAF-IEBWSBKVSA-N 281.399 3.718 30 20 CHED C[C@H]1N(c2ccc(Cl)cc2C#N)CCC12CCOCC2 374935660 ZGGLVBLXSYZGDC-GFCCVEGCSA-N 290.794 3.607 30 20 CHED C=CC(C)(C)C(=O)Nc1cc2sc(C)nc2cc1OC 410439252 VTZOHEGQXLQYRG-UHFFFAOYSA-N 290.388 3.764 30 20 CHED C[C@H]1CC[C@@H](CC(=O)N2CCCc3cc(C#N)ccc32)C1 411003931 VLIXGXIVGBNWFT-UONOGXRCSA-N 282.387 3.664 30 20 CHED C=CCC1(C(=O)N[C@H]2CS[C@@H](C)C2)CCCCC1 412575907 DGYHUJJYNAXGDN-QWHCGFSZSA-N 267.438 3.523 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1nc2c(s1)CCCC2 414168469 QRPVRHOUQAPNJD-NSHDSACASA-N 277.437 3.612 30 20 CHED CS[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1 415382920 BFMIZSNSPRLUSG-CJNGLKHVSA-N 290.432 3.535 30 20 CHED CC(C)CCOc1ccc(CNCC2(C#N)CCC2)cc1 418141196 KSFAZCXTBKBQIX-UHFFFAOYSA-N 286.419 3.895 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)NCc1ccc(C#N)s1 421604886 ROBYAJDDUYLXHC-LBPRGKRZSA-N 290.432 3.842 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1C(F)F 425696815 CVLJRVHINUQLPO-UHFFFAOYSA-N 254.280 3.712 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1c(C)oc2ccccc12 426226893 JEQICAHJMQOEQP-CQSZACIVSA-N 298.386 3.991 30 20 CHED C=CCC(C)(C)C(=O)NCCCn1ccc2ccccc21 429935687 GWMLDCBZUBNDHO-UHFFFAOYSA-N 284.403 3.750 30 20 CHED CC1(C)[C@@H](NCC2(CC#N)CC2)C[C@H]1OCc1ccccc1 430738748 LIYQLYXEVQMQRW-DLBZAZTESA-N 298.430 3.654 30 20 CHED CCc1ccc([C@@H]2CCN(c3nc(C)ccc3C#N)C2)cc1 431509617 VYLWRCBSPWRGJI-GOSISDBHSA-N 291.398 3.818 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)cccc1CC 435742619 WEJDZPNBBDMRPN-PBHICJAKSA-N 293.838 3.973 30 20 CHED CC(C)(C#N)CCCCSc1ccc(C#N)cn1 436201645 BGSKVTPWJLGDGT-UHFFFAOYSA-N 259.378 3.765 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCC[C@H]1C(C)C 436298891 IGYXXTUNUVRMEO-QZWWFDLISA-N 265.441 3.772 30 20 CHED C[C@H]1CCN([C@H](C)c2cccc(C#N)c2)CC1(C)C 442901933 PIWGPTIQWXZCSU-UONOGXRCSA-N 256.393 3.987 30 20 CHED CCc1ccc(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1 447916147 OKWPLXZSEXKUFG-RBUKOAKNSA-N 298.430 3.676 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1ccccc1F 449548805 QVLUXEXABVPXPH-XHSDSOJGSA-N 263.356 3.600 30 20 CHED CC1=C(C(=O)N(C[C@H](C)C#N)C2CC2)CCC(C)(C)C1 450220189 HMECUJWLUONKTP-GFCCVEGCSA-N 274.408 3.664 30 20 CHED C=C(C)CCNC(=O)c1cc(C)c(Cl)cc1C 452720013 VKKJRUOVLOGOHU-UHFFFAOYSA-N 251.757 3.653 30 20 CHED C=CC(C)(C)CNC(=O)C1(Cc2cccc(F)c2)CCC1 452772439 FGPVEDSOAUXZRC-UHFFFAOYSA-N 289.394 3.867 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](CCC)c1ccccc1 452774558 FNXRYXOZDRGWAO-OAHLLOKOSA-N 259.393 3.899 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)c1ccccc1F 452776559 RGLWITSBBPXJKZ-GFCCVEGCSA-N 263.356 3.648 30 20 CHED C=C(C)CCc1noc([C@H]2Cc3c(C)cccc3O2)n1 453183801 OJURQDKCGOFRAD-CQSZACIVSA-N 270.332 3.563 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ccccc1OC(F)F 454224932 LCSWGGHPYQHJGL-NSHDSACASA-N 298.333 3.614 30 20 CHED C=CCC1(CNC(=O)Cc2ccc(C(C)=O)cc2)CCCC1 456485173 KUSDGGYTARERCG-UHFFFAOYSA-N 299.414 3.684 30 20 CHED C=C(C)CCNC(=O)N(C)C1CCC(CC)CC1 459009301 VPQGXPOPUJLSRK-UHFFFAOYSA-N 252.402 3.563 30 20 CHED Cc1cc(Br)ccc1CNCC(C)(C)CC#N 459725491 CQWPUJDVMNNGPX-UHFFFAOYSA-N 295.224 3.787 30 20 CHED C=C(C)Cn1c(N(C)c2ccccc2)nnc1C(C)(C)C 460556935 WTBXCWCZLOJGTE-UHFFFAOYSA-N 284.407 3.920 30 20 CHED C=C(C)Cn1c(CC2CC2)nnc1N(CC)C1CCCC1 460566180 QUTAVBKVTJEOOP-UHFFFAOYSA-N 288.439 3.576 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@H](C)CC 460768126 DNSXYVJXMLPHBI-CHWSQXEVSA-N 264.417 3.602 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N(CC)C(C)C 460948641 JTBAXIDLFNVHBI-UHFFFAOYSA-N 284.407 3.756 30 20 CHED C[C@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)c1cccc(C#N)c1 462117569 CAXKAMIJKJYWKD-IDCJVQTKSA-N 296.414 3.841 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 462124779 WNRHUCVFBMEMPM-CAOSSQGBSA-N 265.441 3.915 30 20 CHED C=CCCN(C)C(=O)[C@H](Oc1ccc(Cl)cc1)C(C)C 462314493 DZLVOHYLVUVYNT-OAHLLOKOSA-N 295.810 3.778 30 20 CHED CC#CCSCc1nc(-c2cccc(Cl)c2)no1 464081891 MHCTWAHSEISZSB-UHFFFAOYSA-N 278.764 3.647 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 465117278 YHZZQCJXJRFYEX-BXUZGUMPSA-N 265.784 3.770 30 20 CHED CN(CC#N)CCCCc1ccc(Cl)c(Cl)c1 474153889 MOKMIGSJUVXPBI-UHFFFAOYSA-N 271.191 3.771 30 20 CHED C=C(C)CN(C)C(=O)CCc1ccc(-c2ccccc2)o1 479306980 DLTWCSHJGNCTRD-UHFFFAOYSA-N 283.371 3.914 30 20 CHED CC1=C(C)CN(CC#Cc2ccc(Cl)cc2)CC1 483361305 XYRJBDZRTMZDTO-UHFFFAOYSA-N 259.780 3.734 30 20 CHED CC#CCCNC(=O)N(CC)C[C@@H](CC)c1ccccc1 483429107 PWUBXQHXCFGGQR-MRXNPFEDSA-N 286.419 3.625 30 20 CHED Cc1c([C@@H](C)NC(=O)NCC(C)(C)C#N)oc2ccccc12 484760211 HRQVKZVGOZGIEA-GFCCVEGCSA-N 299.374 3.651 30 20 CHED Cc1cc(F)ccc1C1CCN(c2ncccc2C#N)CC1 488446109 ZHODEMRKXRTWLJ-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C=CCCCC(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 495122188 XLLIOESQLJTHOL-IRXDYDNUSA-N 287.403 3.597 30 20 CHED Cc1ccccc1[C@H]1CCN(c2ccc(C#N)cc2F)C1 507020906 HAFGCGKCBRYOJY-HNNXBMFYSA-N 280.346 4.000 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 508251356 WWSOHSJGEBDBCP-GDBMZVCRSA-N 285.391 3.895 30 20 CHED C=C(C)CCc1noc(-c2oc(Br)cc2C)n1 508609427 QINGVZCYJRKZGB-UHFFFAOYSA-N 297.152 3.909 30 20 CHED C=C(C)CCc1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1 508687979 UPUVXMZNDUFARF-UHFFFAOYSA-N 299.286 3.900 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC(C=C)CC1 508937414 CLLBOTUFGUPBNE-UHFFFAOYSA-N 294.402 3.534 30 20 CHED COCC[C@H](N[C@@H](C)c1cccc(C#N)c1)C(C)(C)C 508996721 OLFXTXUXBVCSFF-BBRMVZONSA-N 274.408 3.660 30 20 CHED C=CC[C@H](C(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1 509384814 BPYZCEBWGIBPHO-VPAKFMSCSA-N 295.426 3.851 30 20 CHED C=C(C)CCN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 509671603 GANVKGGNUVMDMR-AWEZNQCLSA-N 294.389 3.610 30 20 CHED C=C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 514197898 VOCWUWHOCFJJJX-UHFFFAOYSA-N 286.253 3.770 30 20 CHED Cc1ccccc1OCCCN(C)Cc1ccc(C#N)cc1 515551838 WVHLPXICFORKHC-UHFFFAOYSA-N 294.398 3.768 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCCC[C@H]2CCC)CC1 521167507 QSEGCMASHHWIDC-CVEARBPZSA-N 278.440 3.953 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1ccc(F)cc1C#N 525124778 JRJSVFATDATWJU-OLZOCXBDSA-N 260.356 3.708 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CC1(c2ccccc2)CC1 528307592 UNNRPCMDFIOQBB-UHFFFAOYSA-N 290.366 3.927 30 20 CHED C=C(CC)CN1CCC[C@@H](CN2CCCC[C@H]2C)C1 536893242 LIOHQWKUKWIUHA-IAGOWNOFSA-N 264.457 3.539 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(C#N)s1 537626530 WGTMTZMGQBAOES-LLVKDONJSA-N 286.375 3.878 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](c1cccs1)C1CC1 540768314 UZCSPTJGHBAEPU-JSGCOSHPSA-N 278.421 3.853 30 20 CHED CCCCNc1ccccc1C(=O)N1CCC(CC#N)CC1 543832622 OEXYHOJYYOCHPZ-UHFFFAOYSA-N 299.418 3.664 30 20 CHED CC(C)c1ccc(C(=O)NCC#Cc2ccccc2)s1 544831933 OADDYFYPBGZOTQ-UHFFFAOYSA-N 283.396 3.653 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C#N)CCC)c1ccccc1 548288061 WOXSFUFGYAWXAQ-CVEARBPZSA-N 270.376 3.545 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H]2CCC[C@@H]2C1 549670090 ONKNVYVINPWZFH-RBSFLKMASA-N 288.439 3.604 30 20 CHED CN(CCC(C)(C)C#N)[C@@]1(c2ccccc2)CCCCC1=O 551449326 LVEXUILTYLYTOQ-LJQANCHMSA-N 298.430 3.897 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC(C)(C)c1ccc(C)cc1C 553639929 IWNDKHJQPLJJHA-SFHVURJKSA-N 286.419 3.637 30 20 CHED CC1(C)CCCc2cc(C#N)c(N[C@H]3CC[C@H](F)C3)nc21 554684995 MEGMTHFZAGRYRL-KBPBESRZSA-N 287.382 3.870 30 20 CHED C=C(CC)CSc1nnc2ccc(Br)cn12 555069563 IEQMAPWTPAOFTG-UHFFFAOYSA-N 298.209 3.550 30 20 CHED C=CCC[C@@H](C)NCCc1ccc(Cl)c(OC)c1 556258812 GMWVIWCNUXHNFK-GFCCVEGCSA-N 267.800 3.835 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(C(C2CCC2)C2CCC2)no1 556412640 MEQWFHDSQOOMEB-MGPLVRAMSA-N 271.364 3.555 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc(C(=O)N(C)CC)c1 562059141 SHOUITZGSCMXBY-KBPBESRZSA-N 274.408 3.791 30 20 CHED Cc1cc(SCc2nc(CC(C)C)no2)ccc1C#N 566223022 VCKIAPRJEXRFMD-UHFFFAOYSA-N 287.388 3.741 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N1CCC(CC#N)CC1 566910121 DTYNQKDGGDXOTO-KRWDZBQOSA-N 298.430 3.716 30 20 CHED C=CCCCCN[C@H](C)[C@@H]1CCCN(C2CCC2)C1 567122115 LWAVEVJFHNJZMO-HZPDHXFCSA-N 264.457 3.585 30 20 CHED Cc1cccc(CCN[C@H]2CCc3ccc(C#N)cc32)c1 569055143 CSGOEVHADOUCIP-IBGZPJMESA-N 276.383 3.686 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1CC#N 570601798 ZQRFDXSCURYZML-AWEZNQCLSA-N 278.355 3.570 30 20 CHED CCCC1CCC(NC(=O)N2CCC(CC#N)CC2)CC1 578256504 KFWWDMBHPNRUKE-UHFFFAOYSA-N 291.439 3.681 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(C#N)cc1OC 578828173 ZUIZYCUNCCNVSG-NSHDSACASA-N 274.364 3.578 30 20 CHED CC(C)(CNc1cccnc1C#N)Cc1ccccc1 579174132 OILMUURAVLSWQJ-UHFFFAOYSA-N 265.360 3.634 30 20 CHED COc1ccc(CNC2CCC(C)(C#N)CC2)c(C)c1 590646675 HDPXTAYVJHYWQS-UHFFFAOYSA-N 272.392 3.566 30 20 CHED N#CC1(CNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CCC1 591322821 NPRMNHOWHYJEDJ-IAGOWNOFSA-N 296.414 3.770 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CCCC1 591808813 TVAZDMZBBTUDSH-UONOGXRCSA-N 284.403 3.904 30 20 CHED CN(CCC(C)(C)C)C(=O)Nc1cccc(CC#N)c1 592263361 SPDAXMBSZUWUBM-UHFFFAOYSA-N 273.380 3.653 30 20 CHED N#CCC1(Cn2cc(-c3cccc(C4CCC4)c3)nn2)CC1 594654344 WQKRSTNERYOIGH-UHFFFAOYSA-N 292.386 3.906 30 20 CHED CC[C@H](Cc1cccs1)NCCc1ccc(C#N)cc1 595055638 HLDNHNNYNWSAAK-MRXNPFEDSA-N 284.428 3.773 30 20 CHED C=CCCSCCN[C@@H](C)Cc1cccs1 595057698 CJZPJKUWDHXNKF-LBPRGKRZSA-N 255.452 3.578 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@H]([C@H]2CCCCO2)C1 595787025 FMHAKGWJHPPQAE-HZPDHXFCSA-N 278.440 3.597 30 20 CHED CC[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 596097958 PKNAGKSJVAKWAA-CVEARBPZSA-N 299.418 3.515 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(N)c1 596651366 OXBHXDOIEKDCMS-IBGZPJMESA-N 291.398 3.698 30 20 CHED CCCc1ccccc1NC(=O)N1CCC[C@H](CC#N)C1 596664238 AZDPXHYBUDMVAL-CQSZACIVSA-N 285.391 3.797 30 20 CHED N#CC[C@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 597175054 VDQRTGCHHKNPSC-GFCCVEGCSA-N 298.308 3.711 30 20 CHED N#CC[C@@H]1CCCN(Cc2cscc2C(F)(F)F)C1 597176779 JQYAXBUYNQNYTB-JTQLQIEISA-N 288.338 3.893 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)C1[C@H]3CCCCCC[C@H]13)CC2 597444412 HYZHEYBGAFWXGH-HOTGVXAUSA-N 294.398 3.664 30 20 CHED N#CCCCCNCc1csc(C(F)(F)F)c1 598964382 UFCUZXRLUTVCNL-UHFFFAOYSA-N 262.300 3.550 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCOc2cc(F)ccc2C1 599688211 XDWRKHFJTKTQIN-ZDUSSCGKSA-N 296.345 3.653 30 20 CHED CCC(C#N)(CC)C(=O)N(C)CC1(c2ccccc2)CC1 599795711 XBIXYVJMPBFARY-UHFFFAOYSA-N 284.403 3.507 30 20 CHED CC(C)(CNC(=O)CCCC#N)c1ccc2ccccc2c1 600690150 WDOKNMTZCPRUJL-UHFFFAOYSA-N 294.398 3.927 30 20 CHED CC1(C#N)CCC(Nc2cc(F)cc(C#N)c2)CC1 601140086 QXOCYSUPMPVJGH-UHFFFAOYSA-N 257.312 3.582 30 20 CHED C=CCN(Cc1cccc(C#N)c1)CC1CCSCC1 602453345 IPSFGLDHDWQSPR-UHFFFAOYSA-N 286.444 3.689 30 20 CHED C[C@@H](CCC#N)CNC[C@@H]1CCCc2ccccc21 602512879 VWASCCZVWUEFNN-HOCLYGCPSA-N 256.393 3.636 30 20 CHED CCC[C@@H](C#N)NC(=O)Cc1ccc(-c2ccccc2)cc1 608815465 QXAPZRRCAUOUDJ-SFHVURJKSA-N 292.382 3.705 30 20 CHED CC(C)C[C@H](C#N)NC(=O)Cc1ccc(C(C)(C)C)cc1 610805184 IRLKXSWOJOCTQR-MRXNPFEDSA-N 286.419 3.581 30 20 CHED COc1ccc(CN2CC[C@H]2c2cccc(F)c2)cc1C#N 610994723 OGOWUFXRBCTCJG-KRWDZBQOSA-N 296.345 3.653 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 611118314 RTKLXIKTXIOSHL-XJKSGUPXSA-N 284.403 3.952 30 20 CHED Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(C)n1 611300383 XGWYNKHITVGCQA-ZFWWWQNUSA-N 279.387 3.982 30 20 CHED CC[C@H](NCc1ccnc(C#N)c1)c1ccc(C)cc1 611376546 IHALMJXWTPPWDV-KRWDZBQOSA-N 265.360 3.503 30 20 CHED CC[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)C1CCCCC1 612119239 VUFPTOKOJHYIHE-NVXWUHKLSA-N 291.439 3.681 30 20 CHED CC(C)c1ccsc1C(=O)N1CCC[C@](C)(C#N)C1 612236926 KKYPDFDVVYHZJV-OAHLLOKOSA-N 276.405 3.637 30 20 CHED CCC[C@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 612636108 NASXIDSVBLMYTJ-YOEHRIQHSA-N 299.418 3.983 30 20 CHED C[C@@H](Cc1ccncc1)Nc1nc(C(C)(C)C)ccc1C#N 613426875 LAGNDXJMQCCJQI-ZDUSSCGKSA-N 294.402 3.689 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H]1c1cccc(F)c1 614402134 LPTLVQSNHJTLGP-SFHVURJKSA-N 280.346 3.953 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 617141983 FOLYVURGTLMCHT-QLFBSQMISA-N 284.403 3.784 30 20 CHED C=CCN(C(=O)c1ccc(C2=CCCC2)cc1)[C@@H](C)COC 617584003 VALASCPOCBHNPY-HNNXBMFYSA-N 299.414 3.917 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3nc(C)ccc3c2)C1 617781159 GTNBZFYSHTWJII-OAHLLOKOSA-N 294.398 3.972 30 20 CHED CC(C)CC[C@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618795388 QPWPUMWRROIUKX-GUYCJALGSA-N 299.418 3.669 30 20 CHED C[C@H](CCC#N)CNc1ccc(Cl)c(C[S@](C)=O)c1 619242556 FAHCLWWPTYDTCW-WYRIXSBYSA-N 298.839 3.570 30 20 CHED CCCN(CCC)C(=O)NCc1ccc(C#N)c(Cl)c1 619770431 UNIOOIHIRRKVHY-UHFFFAOYSA-N 293.798 3.543 30 20 CHED C=C[C@@H](CC(=O)N[C@@]1(C)CC1(C)C)c1ccccc1 620077062 BXJXYJBETUHEMX-GUYCJALGSA-N 257.377 3.651 30 20 CHED C=CCC1(C(=O)NCc2cccc3[nH]ccc23)CCC1 636366331 BOUCYIPRZVMHSP-UHFFFAOYSA-N 268.360 3.531 30 20 CHED C=CCCC[C@H](C)N1CCC[C@@H](C(C)(C)C(=O)O)C1 652497765 GVLCEOMTAHMMNU-UONOGXRCSA-N 267.413 3.554 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccnc1Oc1ccccc1 674978973 ZXKACZPYUGYZCT-LBPRGKRZSA-N 283.331 3.570 30 20 CHED C=CCOc1ccc(CN2CC=CCC2)cc1Cl 679359591 OFXHZSIVYIUDTP-UHFFFAOYSA-N 263.768 3.667 30 20 CHED COC(C)(C)CCNc1ccc(C(F)(F)F)c(C#N)c1 711879202 ZKWRAUJORQERPU-UHFFFAOYSA-N 286.297 3.804 30 20 CHED C#Cc1cccc(NC(=S)Nc2cc(C#N)ccc2C)c1 726485373 OUZLTVMRWUWDGJ-UHFFFAOYSA-N 291.379 3.657 30 20 CHED CCCNN=Cc1ccc(Cl)c(C(F)(F)F)c1 727255121 JOFHFIFUQLJURI-UHFFFAOYSA-N 264.678 3.692 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)C(=O)CC)c1 728248730 XPRHJHQEBZYAIO-UHFFFAOYSA-N 263.340 3.611 30 20 CHED Cn1c([C@H](C#N)C(=O)CCCC(C)(C)C)nc2ccccc21 729068230 ZEDHYWYFASDKCW-CYBMUJFWSA-N 297.402 3.966 30 20 CHED C=CCCOC(=O)CCc1ccccc1OC(F)(F)F 729074350 UEAWOFTZAGVSOA-UHFFFAOYSA-N 288.265 3.637 30 20 CHED CCC[C@H](/N=C\c1c(O)cccc1OC)c1ccccn1 729149660 MXVZRYGMZMGUQQ-YQNUULROSA-N 284.359 3.756 30 20 CHED N#CCOc1ccc(CN2CCCc3cc(F)ccc32)cc1 729267095 JDNGCTCYEMZDEY-UHFFFAOYSA-N 296.345 3.681 30 20 CHED C#CCOc1cccc(OC(=O)C2CCCCCC2)c1 730501786 QJJGXBUWGICGRP-UHFFFAOYSA-N 272.344 3.574 30 20 CHED COCC(CC(C)C)=NNc1nc2ccccc2s1 730722456 QSEJPQGPXWVLMR-UHFFFAOYSA-N 277.393 3.757 30 20 CHED C=CC[C@H](NC(=O)NC[C@@H](C)C(C)(C)C)c1ccncc1 734674596 XXZGKVSENYWMOD-HIFRSBDPSA-N 289.423 3.680 30 20 CHED O=C(/C=C\c1ccc(Br)cc1)c1cncs1 735792874 NCZHZUKRXGCZQA-UTCJRWHESA-N 294.173 3.802 30 20 CHED CC(=NNc1cccnn1)c1ccc(OCCC(C)C)cc1 735977383 YPYXQLVYHKDLDG-UHFFFAOYSA-N 298.390 3.738 30 20 CHED C=C(Cl)CNC(=O)NC1CCC(CCCC)CC1 736397605 BHXTWSUQUSJUTO-UHFFFAOYSA-N 272.820 3.787 30 20 CHED Cc1ccc(-c2ccc(C=NNCC(F)F)s2)cc1 740617706 FMATWGGWZXBKDL-UHFFFAOYSA-N 280.343 3.912 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)c1cccc(F)c1)c1ccncc1 742076613 OKOHYZDCTUKSPE-SUMWQHHRSA-N 298.361 3.758 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)c2cccc(C#N)c2)c1O 743501765 RCCAJGDNOCIRLF-RQZLXBNYSA-N 294.354 3.843 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H](C)c2cccc(C#N)c2)c1 743501964 UIMWWICHWQIUBQ-DZUMZMOTSA-N 294.354 3.843 30 20 CHED C=CCOCCCC(=O)O[C@@H](CC)c1ccc(C)cc1 744076684 MILJJFPVOXPABT-INIZCTEOSA-N 276.376 3.972 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)c1ccc(Cl)cc1 748233631 GWXOHZWNMMFTSF-LLVKDONJSA-N 280.751 3.811 30 20 CHED C=CCCCC(=O)N1CCc2ccccc2[C@@H]1CC 748542419 QTRSABTYYMTADV-INIZCTEOSA-N 257.377 3.879 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc2cc(O)ccc2c1 749003544 QJQVVGZIOZZEOO-BQYQJAHWSA-N 292.338 3.781 30 20 CHED COc1ccc(NN=C(C)c2ccc(C)cc2OC)cc1 750921955 MBUPNOFIFKWSGN-UHFFFAOYSA-N 284.359 3.848 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCOC[C@H](C)C1 754576568 DFSBTEUAJYDYAY-HZPDHXFCSA-N 298.471 3.661 30 20 CHED CC[C@H](C)C=Nn1c(S)nnc1-c1cccc(Cl)c1 755564313 LXLODFNFLNBLDW-VIFPVBQESA-N 294.811 3.767 30 20 CHED Cc1ccnc(NN=Cc2c(C)cc(C)cc2C)c1 755906360 LWEBJHVQQSSQOI-UHFFFAOYSA-N 253.349 3.761 30 20 CHED C[C@@H](C=NNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 756873005 NEMNUZIXMBNPNR-NSHDSACASA-N 287.294 3.935 30 20 CHED C#CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 756996358 DZGWMWTXEFDVKP-QGZVFWFLSA-N 294.354 3.757 30 20 CHED C[C@H](C=NNc1nc(O)c2ccccc2n1)c1ccccc1 757590997 UECRWOGVRRVMTE-GFCCVEGCSA-N 292.342 3.537 30 20 CHED C#CCCCC(=O)N1CCCc2cc(C(F)(F)F)ccc21 757961759 UKQQJPAKBLKSEI-UHFFFAOYSA-N 295.304 3.788 30 20 CHED Clc1ccccc1[C@@H]1CCCC1=NNc1ncccn1 758106284 YZQPKGPBOSWKAO-LBPRGKRZSA-N 286.766 3.866 30 20 CHED COC[C@H](C)NN=C1CCC[C@@H]1c1ccccc1Cl 758126180 HPUNSWIYRRBTOW-WCQYABFASA-N 280.799 3.588 30 20 CHED CC(CC1CCC1)=NNCCCOc1ccccc1 758371296 WGWVGIATSWIFSJ-UHFFFAOYSA-N 260.381 3.611 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ccc(Br)cc1 758372568 OJPMTPYUQZIVIR-DTWKUNHWSA-N 253.143 3.503 30 20 CHED C#CCCCCNC(=O)Nc1c(C)cc(C)cc1Cl 758507130 JTSXJXAGODBAGI-UHFFFAOYSA-N 278.783 3.882 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C)c(C(F)(F)F)c1 758530511 PDPYLMGZFFIYGT-UHFFFAOYSA-N 298.308 3.939 30 20 CHED Cc1cccc(C)c1OC(=O)c1ccc(CC#N)cc1 759744522 NDVKDTIHOJAKKK-UHFFFAOYSA-N 265.312 3.589 30 20 CHED CCOCCC1(C/N=C\c2cccc(O)c2O)CCCC1 760212900 UIQWHYKBBSESNK-PDGQHHTCSA-N 291.391 3.504 30 20 CHED CC(C)c1ccc(CC=NNc2ncccc2[N+](=O)[O-])cc1 760250308 YELVPUHCTAIQQL-UHFFFAOYSA-N 298.346 3.754 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(C#N)s1 762448440 HSCCJMVGTIZERQ-UHFFFAOYSA-N 277.299 3.734 30 20 CHED C=CCCCCCN(C)Cc1ccc(OC(C)=O)cc1 762633936 LKDIXERYBLIWAX-UHFFFAOYSA-N 275.392 3.790 30 20 CHED COc1ccc(C=NNc2cc(F)c(F)cc2F)s1 763174799 DYAUXOAETPDYRS-UHFFFAOYSA-N 286.278 3.620 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)NC1CCCCCCC1 763905318 ZTNKVFMQBUVDBB-QGZVFWFLSA-N 298.430 3.988 30 20 CHED CC#CCCN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 764976261 UNSCUVWNVKIABE-RTBURBONSA-N 285.431 3.768 30 20 CHED C=CCC[C@@H](CC)NC[C@@](C)(O)c1cccc(Cl)c1 765684665 RWMWQZFHZHKMMG-HZPDHXFCSA-N 281.827 3.882 30 20 CHED C[C@@H](C#N)OC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 766982652 KPDNDMDVXKGLLW-QLFBSQMISA-N 281.396 3.597 30 20 CHED CS[C@@H]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 767194350 CQUJJLUYMRCFKH-CHWSQXEVSA-N 289.448 3.947 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1cncc(C)c1 767360838 SPLNBWCOZQKCBR-WAYWQWQTSA-N 267.328 3.603 30 20 CHED CCN(Cc1ccccc1)c1ccc(C=NOC)cc1 767478496 UDIQMHRSTWFDQO-UHFFFAOYSA-N 268.360 3.693 30 20 CHED CC#CCCCC(=O)OCc1ccccc1OC(F)F 767667727 SDLJVBKZPDFWTQ-UHFFFAOYSA-N 282.286 3.525 30 20 CHED Cc1cc(C=NNCc2ccccc2Cl)c(C)o1 767908389 ROSGBSAWBGWOKQ-UHFFFAOYSA-N 262.740 3.674 30 20 CHED CCC[C@@H](C)C(=O)OCc1ccccc1C(C)(C)C#N 768004708 HWWNUBGOYOEPRI-CYBMUJFWSA-N 273.376 3.967 30 20 CHED CC(C)(C#N)CCCCOC(=O)C[C@@H]1C=CCCC1 768878636 QLHAOKGAOIJSQF-CQSZACIVSA-N 263.381 3.996 30 20 CHED COc1cc(F)cc(NN=C(C)c2sccc2OC)c1 769794338 UURDZFPBBWYSLM-UHFFFAOYSA-N 294.351 3.741 30 20 CHED CC(C)c1ccc(C=NNCc2ccc(C#N)cc2)cc1 769814284 JEKZKGHPNWATKX-UHFFFAOYSA-N 277.371 3.805 30 20 CHED C=CCC[C@H](NC(=S)NCCCC)c1ccccc1 771847189 DZDJBYRXQNSKBR-HNNXBMFYSA-N 276.449 3.958 30 20 CHED Cc1cccc(NN=CCCc2ccc3c(c2)CCO3)c1 774312996 RDVBAPSWJNSRKV-UHFFFAOYSA-N 280.371 3.960 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccc(Cl)cn1 774385928 UJMBOVOYVNDNMN-UHFFFAOYSA-N 296.761 3.541 30 20 CHED CCCc1cccc(C=NN2Cc3ccccc3C2=O)c1 774408644 FVWCPUACSTVSKM-UHFFFAOYSA-N 278.355 3.629 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCc1ccc(F)c(F)c1 775086582 WRYHKHJUEJZGGN-VURMDHGXSA-N 299.276 3.593 30 20 CHED N#CC1(COC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 775827298 IZXKMCUUWLSAHI-UHFFFAOYSA-N 291.350 3.743 30 20 CHED Cc1ccc(SCC(=O)OCCC(C)(C)C#N)c(C)c1 776355827 HFQPHJKIYSFJFA-UHFFFAOYSA-N 291.416 3.879 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccnc3ccccc23)cn1 776433913 MWXUCBNRMQJYST-FPLPWBNLSA-N 291.354 3.908 30 20 CHED C[C@H](Cc1cccc(F)c1)NC1(c2cccc(C#N)c2)CC1 777249605 MSWPAPANZBVMPG-CQSZACIVSA-N 294.373 3.907 30 20 CHED CCCOc1ccc(OC(=O)c2cccc(F)c2C#N)cc1 777414830 VMPPXOKXQMUTOL-UHFFFAOYSA-N 299.301 3.705 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1ccccn1 777448518 PWOTVDGTXOJJNL-GOSISDBHSA-N 281.403 3.663 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccccc1N(C)C 777906431 JVUCDEBQLHTXQA-UHFFFAOYSA-N 288.782 3.637 30 20 CHED C=C(C)CN(C)C(=S)Nc1cccc(Cl)c1C 777917740 CBHGQZFHARUBJC-UHFFFAOYSA-N 268.813 3.853 30 20 CHED COCC(=NNc1ccc2ccccc2n1)C1CCCC1 780189107 VMBINAPXTZKWGT-UHFFFAOYSA-N 283.375 3.839 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNc1ncncc1Cl 780279348 KAHUHYHTUVGVKO-SECBINFHSA-N 266.776 3.744 30 20 CHED CC[C@H](C#N)OC(=O)COc1ccc(-c2ccccc2)cc1 780424285 XKZKJFLYNXZWLN-MRXNPFEDSA-N 295.338 3.578 30 20 CHED CC(C)(C#N)CC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 782835801 SPYMJEIJUHIAKI-KBPBESRZSA-N 278.440 3.895 30 20 CHED C=CCCCCCOC(=O)Cn1c(C)nc2ccccc21 782983981 BRWWAAZHUJSZIZ-UHFFFAOYSA-N 286.375 3.634 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)[C@@H]1CCCO1 783862167 IZWOOUZLJSDYGV-NSHDSACASA-N 273.254 3.639 30 20 CHED C(=NOC1CCCCC1)c1nccn1-c1ccccc1 790175169 DVNPMGNUSFFWBM-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1c1ccc(C)cc1 791069118 HPVJLAOYNLUOQW-DLBZAZTESA-N 284.403 3.643 30 20 CHED Cc1ccc(F)cc1COC(=O)c1ccc(F)c(C#N)c1 792318913 ZIYXHCFQTYCUSJ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCSc1ccccc1C(C)=NNc1ncncc1F 793210929 OSZNQOLTNJXLQM-UHFFFAOYSA-N 290.367 3.564 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1c2ccccc2C[C@@H]1O 793522822 OMVMJUGWGKIFAL-JCGIZDLHSA-N 273.420 3.759 30 20 CHED CC(=NOC[C@@H]1CCOC1)[C@H](C)c1ccc(Cl)cc1 794536423 WACHYEXRUQRPBI-WCQYABFASA-N 281.783 3.873 30 20 CHED CSCCON=C/C=C1\N(C)c2ccccc2C1(C)C 794573743 IMEYTTUQFJNIOR-CZDHHNPESA-N 290.432 3.663 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1ccnc(F)c1 794722651 RVCKRAAHEQQWCH-XQRVVYSFSA-N 278.286 3.665 30 20 CHED Clc1cnc(NN=C[C@@H]2CCCSC2)c(Cl)c1 794873614 SUNPIUXOGCVPNS-QMMMGPOBSA-N 290.219 3.929 30 20 CHED CC(C)n1nccc1/C=C1\CCc2cc(C#N)ccc2C1=O 794941633 SURDJNCPOXHCJI-XNTDXEJSSA-N 291.354 3.548 30 20 CHED Cc1ccccc1-n1nccc1/C=C\C(=O)c1cscn1 794945259 HNEURJBJTSKDJO-SREVYHEPSA-N 295.367 3.533 30 20 CHED C=CCCCCCOC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 795823024 GMVPTLXAEKALAM-QGZVFWFLSA-N 296.370 3.530 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])oc1C 799895492 CBNDFWFXHFAGKU-FPLPWBNLSA-N 271.272 3.701 30 20 CHED COC(=O)c1c(F)cccc1NN=C(C)C1CCCC1 800817296 OSONTIDHJZFKRS-UHFFFAOYSA-N 278.327 3.590 30 20 CHED C#C[C@@H](NC(=O)/C=C(\C)C1CC1)c1ccc(Cl)cc1F 804419459 NPIIVIPMEUHVEE-TUPIDYKKSA-N 291.753 3.626 30 20 CHED N#Cc1ccc(Sc2nc(Cl)c(C#N)s2)c(F)c1 804506372 UULJRCHIPJDUOH-UHFFFAOYSA-N 295.751 3.830 30 20 CHED Cc1cc(C)cc(NC(=S)NCC(C)(C)CCC#N)c1 806597257 GTFHLVQHKKUXTF-UHFFFAOYSA-N 289.448 3.920 30 20 CHED CC(=NNCC1CCCC1)c1ccc(O)c(Cl)c1 808007241 WNTMIZAWFRSEEG-UHFFFAOYSA-N 266.772 3.549 30 20 CHED COCCOCc1ccc(/C=C/C(=O)c2ccccc2)cc1 809151590 BQPJACZDWKIRMC-VAWYXSNFSA-N 296.366 3.746 30 20 CHED C#CCCCc1nc(C(C)(C)C2=CCCCC2)no1 809489663 QAYLGUPQJQIJAM-UHFFFAOYSA-N 258.365 3.804 30 20 CHED C#Cc1ccc(CN2CCCC[C@H]2c2nccn2CC)cc1 809659077 GDKHMNJGUKSUSH-SFHVURJKSA-N 293.414 3.612 30 20 CHED C=CCCCCCCCNC1CCN(CC)CC1 810243600 QYJDYSBEOVCJHF-UHFFFAOYSA-N 252.446 3.587 30 20 CHED C=CCCCCOC(=O)Cc1cccc2cccnc12 811011636 GJIQGVOAVZCQGD-UHFFFAOYSA-N 269.344 3.677 30 20 CHED Cc1ccc(C2CC(=NNC[C@@H]3CCSC3)C2)cc1 811659300 QOODXVSETWOGJD-CFMCSPIPSA-N 274.433 3.571 30 20 CHED CC(=NNC[C@H]1CCSC1)c1ccc(C(C)C)cc1 811661444 LHEOOYHDBZNJEP-CQSZACIVSA-N 276.449 3.877 30 20 CHED C(=NOC1CCC1)c1ccc(N2CCCCC2)cc1 812236867 XRCSBMDYXOWENK-UHFFFAOYSA-N 258.365 3.580 30 20 CHED COc1cccc2cc(C(C)=NOCCOC(C)C)oc12 812239225 OMOHWRPSAZAUNQ-UHFFFAOYSA-N 291.347 3.607 30 20 CHED N#CCCCC(=O)OCc1c(Cl)ccc(F)c1Cl 813099574 WZQUIUMEWFDDGX-UHFFFAOYSA-N 290.121 3.870 30 20 CHED N#Cc1ccc(C(=O)Nc2cnc(Cl)cc2Cl)cc1 813382595 VLMQHPZLKFUSCP-UHFFFAOYSA-N 292.125 3.512 30 20 CHED O=C(O)c1cccc(C=NOCc2ccccc2)c1Cl 814792141 POQHDZXNLCGZOB-UHFFFAOYSA-N 289.718 3.589 30 20 CHED Cc1cc2ccccc2nc1NN=C1COc2ccccc21 814894393 JSTTURFZWPOJDK-UHFFFAOYSA-N 289.338 3.752 30 20 CHED COc1ccc(C(CCC(C)C)=NNc2cncnc2)cc1 814927057 VIXDORKGNWQKKW-UHFFFAOYSA-N 298.390 3.738 30 20 CHED C#Cc1ccccc1C(C)=NNc1ccc(F)c(F)c1F 814945456 XLHCMSPIOFBQGE-UHFFFAOYSA-N 288.272 3.921 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccccc1Cl 815310810 LSFSTDCRSJFIAP-UHFFFAOYSA-N 260.667 3.595 30 20 CHED C=CCN(CCC#N)C(=O)[C@@](C)(CC)CCCCC 816803294 WAJSTMPFDJCAMG-INIZCTEOSA-N 264.413 3.911 30 20 CHED O[C@@H]1CCC[C@H]1NN=C1CCCC[C@@H]1C1=CCCCC1 817337632 QXCLTTUDDAGMHQ-DJIMGWMZSA-N 276.424 3.536 30 20 CHED CCC[C@H](C=NNc1ccccc1C(F)(F)F)OC 834916328 ZNNBNILAQSAVRF-SNVBAGLBSA-N 274.286 3.918 30 20 CHED CCC[C@H](C=NNc1ncnc2sc(C)c(C)c12)OC 834923405 IUZGMDWUNXMAJB-LLVKDONJSA-N 292.408 3.521 30 20 CHED CC(C)CC(CC(C)C)C(=O)OC1(C#N)CCC1 835213542 UFCCHXQIJAKHFY-UHFFFAOYSA-N 251.370 3.684 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)OCCCC(C)(C)C#N 837930548 FHCOFNIZLYAAQK-IUODEOHRSA-N 251.370 3.686 30 20 CHED O=C(C#CC1CC1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 838057709 YCOQCJDYSGNTIH-IBGZPJMESA-N 293.410 3.934 30 20 CHED C=C(Cl)CN1CCCC[C@H]1c1nc2ccccc2[nH]1 839617839 SGWBDKBVGYCZGQ-AWEZNQCLSA-N 275.783 3.842 30 20 CHED CC(CCCCC#N)=NN=c1cc[nH]c2ccccc12 841623891 OUTPULNDWSMWIC-UHFFFAOYSA-N 266.348 3.528 30 20 CHED C#C[C@H](OC(=O)C1(CC=C)CCC1)c1ccccc1 842363682 NUPNZNHSVBMTRO-HNNXBMFYSA-N 254.329 3.651 30 20 CHED C#C[C@H](OC(=O)c1cnc(CCC)s1)c1ccccc1 842366160 YOFGLTZQNIUOHW-ZDUSSCGKSA-N 285.368 3.627 30 20 CHED C#CC1CCN(C(=O)/C=C(\C)c2ccccc2Cl)CC1 843707573 XEWPPJBOKPTYIP-OUKQBFOZSA-N 287.790 3.615 30 20 CHED O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccc(F)cc1 844153489 UOSAOMKTRHJASO-WCIBSUBMSA-N 292.313 3.908 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cccc(CSCC)c1 844543379 ICFHXESOWWRRHS-NSHDSACASA-N 280.393 3.567 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccc1 846158449 YSTXHVNWIXWTIL-WMLDXEAASA-N 295.382 3.816 30 20 CHED C=C[C@H](C)ONC(=O)c1cccc(N[C@H](C)C(C)C)c1C 846545229 FNULQYVXQNBHSL-GXTWGEPZSA-N 290.407 3.687 30 20 CHED C/C(=C/c1ccco1)C(=O)OCCCCC(C)(C)C#N 848838126 VQSJPHZCHJNWLM-QBFSEMIESA-N 275.348 3.946 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1ccc(CC#N)cc1 849846222 KTBUCYUVZGUOLV-MRXNPFEDSA-N 277.339 3.714 30 20 CHED C[C@H](C#N)Oc1ccc(CNCCCC2CCC2)cc1 850379314 KRDYXXABPGPEHD-CQSZACIVSA-N 272.392 3.647 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1oc(C)nc1C 851145572 XINIUCDCDSCMND-OLZOCXBDSA-N 263.337 3.583 30 20 CHED C#CCCCOc1cccnc1N[C@H]1CC[C@H](SC)C1 853386221 YLTWDPPNBYCUSA-KBPBESRZSA-N 290.432 3.570 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 855546959 QYJPXCHCXBYRPH-FUHWJXTLSA-N 287.403 3.987 30 20 CHED C#CCCCCC(=O)Oc1ccc(CCOC)cc1Cl 861440337 ALMMOMXODWNPPW-UHFFFAOYSA-N 294.778 3.628 30 20 CHED N#CC1(CCONC(=N)CCC(F)(F)F)CCCCC1 863491205 MHKBXNSOELLIHP-UHFFFAOYSA-N 291.317 3.692 30 20 CHED C=CCCC[C@H](C)OC(=O)[C@H]1CCOC2(CCC2)C1 885668042 QTZIHNHXFJSEHA-KBPBESRZSA-N 266.381 3.624 30 20 CHED CC(C)N(C(=O)c1cc(C#N)ccc1F)C1CCCCC1 888647146 ZMXCSCDFDUBOKS-UHFFFAOYSA-N 288.366 3.881 30 20 CHED N#C[C@@H]1CCCN(c2ccc3cc(F)cc(Cl)c3n2)C1 895648693 REPQWQNKHVQPRA-JTQLQIEISA-N 289.741 3.767 30 20 CHED N#C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2F)C1 896503643 OJKYMWCCOVRRFB-SNVBAGLBSA-N 286.272 3.580 30 20 CHED CCOc1ccc(C(=O)/C=C\c2c(C)noc2CC)cc1 899340916 OUHOJTPUVYRZIK-KHPPLWFESA-N 285.343 3.840 30 20 CHED Cc1cc(C)c(C(=O)Nc2sc(C)c(C)c2C#N)c(C)n1 901289433 HDCOZCYZIBHWBY-UHFFFAOYSA-N 299.399 3.809 30 20 CHED CC[C@H](NC1C[C@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 902890944 KGJLIGKMHKFTQT-DCGLDWPTSA-N 272.392 3.555 30 20 CHED CCO[C@@H](c1noc(-c2ccc(CC#N)cc2)n1)C(C)C 904121597 OGLMMNPUNPFXCP-CQSZACIVSA-N 285.347 3.536 30 20 CHED C=CCOc1cccc(CNc2nnc(C3CCC3)o2)c1 905426072 IFAAOUFHLSXIAF-UHFFFAOYSA-N 285.347 3.514 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H]2CCCc3ccccc32)c1 912962645 XGAKDOHUZSLYFX-HYTQYMIGSA-N 295.382 3.940 30 20 CHED C=CCN(C(=O)c1ccc(F)cc1Cl)C(C)C 914683119 GUZDBCGFMIQBQQ-UHFFFAOYSA-N 255.720 3.516 30 20 CHED COc1ccnc(NN=C/C=C(\C)CCC=C(C)C)n1 914696625 YVOPDXUYAQHGSH-GBQPSVCWSA-N 274.368 3.576 30 20 CHED CCCNN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 915965494 KGAHODMMVVOZCJ-UHFFFAOYSA-N 289.360 3.657 30 20 CHED Fc1ccc(NN=Cc2c[nH]c3ccccc23)cc1 916268257 UDJPONGMKOTMMB-UHFFFAOYSA-N 253.280 3.753 30 20 CHED CCCCCCCCCN(C)C(=O)c1cccn1C 918396193 IKMBISNKLCKOOR-UHFFFAOYSA-N 264.413 3.848 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1ccc(OC(F)F)cc1 924573182 URGXLVMZCKUMHP-LBPRGKRZSA-N 296.361 3.748 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1nc(Br)ccc1F 925433587 ZFCLGHCQOYLOMY-BDAKNGLRSA-N 287.176 3.598 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(C)n([C@H](C)CC)n1 935253270 WTHLUENWPUJTQW-YPMHNXCESA-N 263.385 3.703 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCc1cccc(OCC#N)c1 1116461845 ZDRQVUGWGFGCAB-LJQANCHMSA-N 292.382 3.675 30 20 CHED C=C[C@H](COC)N[C@H]1C[C@H](C(C)C)c2ccccc21 1116811419 RGKGVMXFFWFBCW-XYPHTWIQSA-N 259.393 3.662 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)N(CC)[C@@H](C#N)CC)cc1 1121160666 HXXKDEVDFYJCMS-UKRRQHHQSA-N 288.391 3.628 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cccc(Cl)c1Cl 1121252880 IICXAPJHEUYEEU-SECBINFHSA-N 285.174 3.758 30 20 CHED C#CC[C@@H](C)OC(=O)c1sc(-c2ccccc2)nc1C 1122711719 AZPYZQJSWLXHDY-LLVKDONJSA-N 285.368 3.687 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3ccco3)s2)C1 1122716836 AESYMLJDIBQLAG-GHMZBOCLSA-N 287.340 3.857 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2cc(Cl)ccc2F)n1 1162994880 OKRHKYZGZAVNSS-MRVPVSSYSA-N 290.729 3.622 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H](C3CCCC3)C2)c1C#N 1163546181 YPZRJCDQXMXCBO-ZDUSSCGKSA-N 289.810 3.932 30 20 CHED CC[C@@H](NCCCCC1(C#N)CCC1)C1CCOCC1 1262239704 HMCZSFWDAFJFFY-MRXNPFEDSA-N 278.440 3.645 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(CC)[C@H](C#N)CC 1289299019 RZWRYGOHSDXHHJ-KGLIPLIRSA-N 252.402 3.599 30 20 CHED N#Cc1nc(NC[C@@H]2CCC[C@H]2C2CC2)sc1Cl 1307142786 UGUJUNFCNGWDPP-UWVGGRQHSA-N 281.812 3.906 30 20 CHED CCOCc1ccc(NC(=O)CC#Cc2ccccc2)cc1 1319315482 JZSQRUOBRNXZDY-UHFFFAOYSA-N 293.366 3.603 30 20 CHED COc1cc(C=NNc2ccc3ccccc3n2)ccc1F 1319479279 QMXBVOQMLMOLFP-UHFFFAOYSA-N 295.317 3.829 30 20 CHED CC(COC(C)C)=NNc1ccc(C)c(Cl)c1 1321686676 WDWYESWOVGDKGF-UHFFFAOYSA-N 254.761 3.861 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2c(F)cccc2Cl)C1 1322130585 VZFHIHLRHDJSQY-NEPJUHHUSA-N 280.774 3.694 30 20 CHED Cc1cc(C(=O)OCC2(CC#N)CC2)c2c(c1)[C@@H](C)CCN2 1327160730 JYJYMTIVNUHMLH-ZDUSSCGKSA-N 298.386 3.765 30 20 CHED CCCCCCO[C@@H](C)C(=O)OCc1ccc(C#N)s1 1329170502 YVXAJPATQFOHHQ-LBPRGKRZSA-N 295.404 3.648 30 20 CHED CC#CCCCc1nnc(-c2cc(C)nc3ccccc23)o1 1329283523 JZOUTVJAZALJNV-UHFFFAOYSA-N 291.354 3.939 30 20 CHED CC[C@@H](C)CN(CC)c1nnc([C@@H](C)CCC#N)n1CC 1339741294 CYDYHFYTJPTKMX-KGLIPLIRSA-N 291.443 3.578 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 1342111235 OGERAUMEOBJOFV-WMLDXEAASA-N 297.402 3.759 30 20 CHED C#C[C@@H](OC(=O)c1[nH]c2ccc(C)cc2c1Cl)C1CC1 1342665378 XFHHTUFMGCNKJQ-CYBMUJFWSA-N 287.746 3.698 30 20 CHED CSC1(COC(=O)CC2(C#N)CCCCC2)CCC1 1344515223 VMMGZHVKYHWHQW-UHFFFAOYSA-N 281.421 3.679 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc(C)c(OC)c(Cl)c1 1345428542 UWKZAONYJMGEOC-AAEUAGOBSA-N 283.799 3.509 30 20 CHED CC(C)(C)c1cccc(C(=O)NCc2ccc(C#N)cc2)c1 1360629607 FBOVKINEDJUROL-UHFFFAOYSA-N 292.382 3.786 30 20 CHED N#Cc1cnc(C(=O)Nc2cscc2Cl)c(Cl)c1 1438992970 AGTBHUXWJRPMSD-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 1445589002 YSPMUDXTKMQWAW-CXAGYDPISA-N 296.345 3.581 30 20 CHED Cc1cc(=N[C@H](C)c2oc3ccccc3c2C)c(C#N)c[nH]1 1458316445 XKRYVIOECHSSNU-CYBMUJFWSA-N 291.354 3.911 30 20 CHED CC(C)(CC#N)CNC(=O)CC1C2CC3CC(C2)CC1C3 1528380801 IMIILAZZCMYSAI-UHFFFAOYSA-N 288.435 3.505 30 20 CHED C=C(CNC(=O)C1(OC)CCCCCC1)c1ccccc1 1583133696 ZJSOHPXDTHSATA-UHFFFAOYSA-N 287.403 3.555 30 20 CHED CC(C)c1ccc(/C=C/C(=O)c2cc(C(=O)O)co2)cc1 1591949298 SSBLIVZYNKXXNV-VMPITWQZSA-N 284.311 3.997 30 20 CHED CC(C)[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)cc1 1597786718 IKMVZVLJYCPYST-SFHVURJKSA-N 292.382 3.555 30 20 CHED C=CCCC[C@@H](Nc1cnc(C(=O)O)cn1)c1ccccc1 1602872045 FTXFBEBOHKHJSU-CQSZACIVSA-N 297.358 3.684 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(C[C@@H](C)C(=O)O)cc1 1604122789 CJBJUERXJDOKBN-CHWSQXEVSA-N 288.391 3.690 30 20 CHED Cc1cncc(CSc2ccc(C#N)c(C)c2)c1 1614552668 APFQVGCRQQJMCZ-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CC[C@@H](C#N)C(=O)NCC1(c2ccc(C)cc2C)CCCC1 1637843348 FHGSKZVFGWEWCR-INIZCTEOSA-N 298.430 3.781 30 20 CHED Cc1cc(N(C)Cc2nc3ccccc3s2)c(C#N)cn1 1639195155 PFNXOVGDEOELFH-UHFFFAOYSA-N 294.383 3.508 30 20 CHED N#Cc1c[nH]ccc1=NC[C@@H]1CCCC[C@@H]1c1ccccc1 1642692846 FJTZEAIVLNAYON-FUHWJXTLSA-N 291.398 3.761 30 20 CHED CCc1ccc(CN(CCO[C@H](C)C#N)CC(C)C)cc1 1646368345 XMUQXJXEFTXABJ-MRXNPFEDSA-N 288.435 3.636 30 20 CHED CCC[C@@H](CCc1ccccc1)Nc1cncc(C#N)n1 1651559760 YZEQGHNXEVBRAN-HNNXBMFYSA-N 280.375 3.562 30 20 CHED Cc1c(C#N)cccc1NCc1ccc2c(c1)C[C@H](C)O2 1658049564 DRACMHMMNWTXDE-LBPRGKRZSA-N 278.355 3.802 30 20 CHED CCC1(C)CCC(=NNc2ccc(C(=O)O)nc2)CC1 1776070076 UAMSTTRKIZTDQM-UHFFFAOYSA-N 275.352 3.538 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCCC2CCCC2)C1 1776156422 IOZUMKVIEROQSE-KRWDZBQOSA-N 279.424 3.700 30 20 CHED CCc1cccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 7344589 LHDHIFYGJWNFTO-CYBMUJFWSA-N 294.354 3.527 30 20 CHED COc1cc(/C=C/C(=O)C2CCCCC2)ccc1OCC#N 7905607 HPTQRTFZKBWJTJ-VQHVLOKHSA-N 299.370 3.760 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)c(F)c1 35175655 JRUKQVQFJSOXHL-LSDHHAIUSA-N 272.367 3.709 30 20 CHED N#CCCCN(Cc1cccc(Br)c1)C1CC1 51423901 OMYGMFJJGKJTJN-UHFFFAOYSA-N 293.208 3.717 30 20 CHED Cc1cc(N(C)C)ccc1NCc1ccc(C#N)cc1 57667936 AAOXYTPXUCVOSE-UHFFFAOYSA-N 265.360 3.545 30 20 CHED N#Cc1cccc(-c2csc(CC(F)(F)F)n2)c1 62938319 CQUYTAIVNYNWJV-UHFFFAOYSA-N 268.263 3.787 30 20 CHED Cc1cc(C)cc(NC(=O)CNc2cc(C#N)ccc2C)c1 63889991 ZFGUROHJIRZGML-UHFFFAOYSA-N 293.370 3.534 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(F)cc1C#N 72900648 ZJMTUMDZRJAXHM-GFCCVEGCSA-N 280.412 3.661 30 20 CHED CC(C)(C)c1ccc(CN(CCC#N)CCC#N)cc1 72947657 ZJBJPWBYRCXPTA-UHFFFAOYSA-N 269.392 3.613 30 20 CHED CCc1ccc([C@H](COC)Nc2cccc(F)c2C#N)o1 78341289 ITONEXOTCMNONC-HNNXBMFYSA-N 288.322 3.652 30 20 CHED COc1ccc(CNc2ccc(F)c(C)c2)cc1C#N 87824217 CFKPDWVYTSAVLM-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccccc1Br 88162716 CFCNDOUBXPTTFA-VIFPVBQESA-N 274.589 3.852 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C(C)=O)c(C)c1 89918133 DKYDLANBYOQFCL-UHFFFAOYSA-N 271.360 3.905 30 20 CHED CCN(Cc1cc(F)cc(Br)c1)C[C@@H](C)C#N 93938810 TWULXZOVRKSAIB-JTQLQIEISA-N 299.187 3.570 30 20 CHED CCC(O)(CC)CNc1ccc(C(F)(F)F)cc1C#N 94594440 TWKVBPIECDAZNT-UHFFFAOYSA-N 286.297 3.540 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2cccs2)no1 109463099 VPRLFRNIEZYMRF-SNVBAGLBSA-N 297.339 3.810 30 20 CHED C=CC1CCN(C(=O)Cc2cccc3ccccc23)CC1 110363576 LRXRMFQNEONCIM-UHFFFAOYSA-N 279.383 3.807 30 20 CHED C#CCCCCC(=O)N(CC)Cc1c(F)cccc1F 119935692 VKMLPEGKBDXAAW-UHFFFAOYSA-N 279.330 3.507 30 20 CHED CC[C@H](/N=C/c1cc2ccccc2nc1O)c1ccncc1 125131880 VCWQFFBDJKLGQY-DORSJAEJSA-N 291.354 3.906 30 20 CHED C=C(C)COCCN[C@@H]1CCCCc2ccccc21 125616643 ZEOWPZNLVLRGTP-QGZVFWFLSA-N 259.393 3.636 30 20 CHED CCc1nnc(SCC2CCCC2)c(C#N)c1CC 125996401 CDLFRTYHTNZHIK-UHFFFAOYSA-N 275.421 3.755 30 20 CHED CCCCCCCOC(=O)c1ccc([S@@](C)=O)cc1 126046619 FTQQWALWRYZXJF-IBGZPJMESA-N 282.405 3.551 30 20 CHED N#CCC(=O)Nc1ccc(SC2CCCC2)cc1 127533913 WPXUKFLBNLGOBA-UHFFFAOYSA-N 260.362 3.573 30 20 CHED N#Cc1cc(Br)ccc1OC1CCCC1 128107121 OSLVTADBVNNIQV-UHFFFAOYSA-N 266.138 3.642 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCC2)cc1 131471159 FUDJGNHABZCZRF-WBMJQRKESA-N 298.386 3.648 30 20 CHED C=C(C)CN1CCC(NC[C@H]2C(C)=CCC[C@H]2C)CC1 134165847 BYGFQHGMGDOZPS-AEFFLSMTSA-N 276.468 3.609 30 20 CHED CCCCOCCCNc1ccc(Cl)cc1C#N 134350399 ZROTWVDWUBSBDP-UHFFFAOYSA-N 266.772 3.830 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccc(C#N)s1 134498604 TVOARRNWDXXPBW-GQCTYLIASA-N 285.372 3.536 30 20 CHED Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)oc1C 134904449 KCDFYZZFEFUCTD-UHFFFAOYSA-N 282.343 3.950 30 20 CHED CC(C)(CCC#N)CNCc1ccc(F)c(Cl)c1 135171191 YGXSQRNALWMQKY-UHFFFAOYSA-N 268.763 3.899 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccccc1OC 151289027 JWDGGHXXMNUDGU-UHFFFAOYSA-N 260.333 3.507 30 20 CHED Cc1ccc2ncc(/C=C3/CCc4ccccc4C3=O)n2c1 151376103 UAEVPSGDXPUHTA-GDNBJRDFSA-N 288.350 3.855 30 20 CHED CC1(C)Cc2occc2[C@H](NCc2cccc(C#N)c2)C1 151376774 JBGGNUIMFZDOIK-MRXNPFEDSA-N 280.371 3.955 30 20 CHED N#Cc1cc2ccccc2nc1NC[C@H]1CCCCS1 156421023 WCHGSVMTMXXWAS-CQSZACIVSA-N 283.400 3.804 30 20 CHED C=C(C)CNC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 156787049 ZFIKEERHWXSDCV-UHFFFAOYSA-N 290.794 3.715 30 20 CHED C=CCC[C@H](NC(=O)N[C@H](C)CSC)c1ccccc1 158683016 JQBPCAILWROHDV-HIFRSBDPSA-N 292.448 3.745 30 20 CHED CCN(CCC#N)C(=O)c1ccc(CCC(F)(F)F)cc1 160472087 KQKLBLUXPPPPSG-UHFFFAOYSA-N 298.308 3.557 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 160940793 GNPXLEGWLXUKSF-WDEREUQCSA-N 284.186 3.789 30 20 CHED C=C(C)COCCN[C@@H](CC)c1cccc(Cl)c1 163513409 RELSZLJSMVIKCE-HNNXBMFYSA-N 267.800 3.973 30 20 CHED Cc1cc(N[C@@H](CCC#N)c2ccccc2)nc(C)n1 164330951 FCCGGXMJJZPSDS-HNNXBMFYSA-N 266.348 3.550 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cccnc1Cl 171538644 GHQHWAPHWZGHPP-CMDGGOBGSA-N 257.720 3.940 30 20 CHED N#CCN(C(=O)c1cccc(C(F)F)c1)c1ccccc1 171554683 HWBCKFMYXVOKOA-UHFFFAOYSA-N 286.281 3.795 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(-n2cccc2)c1 172104283 ARQQWICHTYIFHE-ZDUSSCGKSA-N 269.348 3.563 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1c(F)cccc1F 172671498 OCWYVJJOZISJHG-SECBINFHSA-N 271.332 3.601 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C)cc1Cl 173033112 CDPUZWRIMMYNCD-UHFFFAOYSA-N 267.756 3.570 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173380352 HJQSGZQVYHVZPP-XQQFMLRXSA-N 297.185 3.515 30 20 CHED C[C@H](N[C@H](C)c1nc(C(C)(C)C)no1)c1cccc(C#N)c1 174357919 SAZRZRHTAUBOOE-NWDGAFQWSA-N 298.390 3.651 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCCN(c2ccccc2)C1 174398958 SJGIQSNEJHFBMJ-MRXNPFEDSA-N 285.435 3.575 30 20 CHED CC(C)(C)Oc1ccc(C(=O)Nc2ccccc2C#N)cc1 175504496 RLJBKPLAQDBAIB-UHFFFAOYSA-N 294.354 3.988 30 20 CHED N#CCCCN1CCc2cc(Cl)cc(Cl)c2C1 177135890 MZTBKMBYPHUEDZ-UHFFFAOYSA-N 269.175 3.655 30 20 CHED CC(C)(C#N)CCCSc1nnc(C(C)(C)C)[nH]1 177231758 NGQJWZCQLKNSIU-UHFFFAOYSA-N 266.414 3.524 30 20 CHED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1cnn(C)c1 179820267 MJYJQRIFFVWFDS-QGZVFWFLSA-N 298.390 3.666 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cccc(Cl)c1 182631886 OQJMZXMRZXXKON-LBPRGKRZSA-N 265.784 3.744 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)CC(C)(C)OC)c1ccccc1 188263368 VWYZQZRMRIVKSK-GOEBONIOSA-N 289.419 3.666 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)CC(C)C)c1ccccc1 188763682 PMHIRNCZKYPSNQ-GDBMZVCRSA-N 259.393 3.897 30 20 CHED C=CC[C@H](C(=O)NC1CCCCC1)c1ccccc1 189366200 UCNDAMJQKCHULV-INIZCTEOSA-N 257.377 3.795 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)c1ccccc1 189945555 ZKOTVEBEKJEPSK-PBHICJAKSA-N 259.393 3.899 30 20 CHED N#Cc1ccc(OCc2ccc(F)cc2C#N)cc1Cl 190251644 NPIUDULZTHJGTA-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CCc1cc(O)ccc1NC(=O)Nc1cc(C#N)ccc1C 192169908 YVWKSRXMURRXPB-UHFFFAOYSA-N 295.342 3.779 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 192278729 RRGHFRUGWIQIFT-QGZVFWFLSA-N 273.351 3.587 30 20 CHED COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 192755204 ZTWUOIMPBXGLPG-STQMWFEESA-N 296.370 3.684 30 20 CHED N#CCCCOc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 193083160 RFNAGJVVEIFJFW-LSDHHAIUSA-N 283.375 3.863 30 20 CHED C/C(=C\C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 195233177 HAMGJGSCCAPCFG-GXDHUFHOSA-N 276.339 3.909 30 20 CHED C=CCCCCCNc1ccc(C(=O)N(C)C)cc1 195447303 KSFURWGNNWCVJH-UHFFFAOYSA-N 260.381 3.547 30 20 CHED CC(C)CN(CCC#N)Cc1cc(Cl)ccc1F 218340738 LOVSLGYYOVOAHP-UHFFFAOYSA-N 268.763 3.851 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)c1ccccc1F 232526283 NGZBMVWILBQRMV-GOSISDBHSA-N 267.369 3.653 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)c1cccs1 232526303 SUTDMVIIKZWSAO-MRXNPFEDSA-N 255.408 3.576 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1nc(Cl)c(C#N)s1 233864068 LWCZBISNGKNPKC-SFYZADRCSA-N 287.841 3.754 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C1 246425446 NMKGMKSTLUONOB-FDZBUTDGSA-N 295.382 3.516 30 20 CHED C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)Oc1ccccc1Cl 248776395 HOZARSDHXBAOAG-MCIONIFRSA-N 292.810 3.779 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2nc3c(cc2C#N)CCC3)C1 252142044 NJFAFGDIYDCLLL-JYAVWHMHSA-N 269.392 3.679 30 20 CHED N#Cc1ccc(NC(=O)/C=C/C2CCCCC2)cc1 253467562 ZVIUAXXJEQXDRX-DHZHZOJOSA-N 254.333 3.633 30 20 CHED C(=NNc1ncnc2c1oc1ccccc12)c1ccccc1 254721196 LLFSDNPTUIISAM-UHFFFAOYSA-N 288.310 3.822 30 20 CHED N#Cc1cccc(N=Cc2cc3ccccc3nc2O)c1 254926788 PEFZWZUJGSQVMB-UHFFFAOYSA-N 273.295 3.563 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3ccc(F)c(F)c3)n2c1 255627564 RPYUDRJYKCOPKX-XQRVVYSFSA-N 298.292 3.817 30 20 CHED CCc1nc([C@H](C)Nc2snc(Cl)c2C#N)cs1 264768334 OSIZJCRTANPAOK-LURJTMIESA-N 298.824 3.860 30 20 CHED C=CCOc1cccc(CNCCCC(F)(F)F)c1 266576073 LHVIQFPWHWBOJM-UHFFFAOYSA-N 273.298 3.684 30 20 CHED N#CCc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 270183506 AANMBKSADHIGAK-GOSISDBHSA-N 290.366 3.560 30 20 CHED C[C@H](NCCCOC1CCCC1)c1ccc(C#N)c(F)c1 271921749 DWPQJWGGZJZNMG-ZDUSSCGKSA-N 290.382 3.697 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 274517989 ZIVKOECWXJKAFU-STQMWFEESA-N 279.330 3.541 30 20 CHED C=CCCN(C)Cc1nc(-c2cccs2)oc1C 276402827 KSQJBOURDGETMG-UHFFFAOYSA-N 262.378 3.719 30 20 CHED C=CCC1(C(=O)NCc2cc(-c3ccccc3)no2)CCC1 276595947 PEOYHYHIOIUXQS-UHFFFAOYSA-N 296.370 3.704 30 20 CHED C#CCN(C)C(=O)Nc1ccc(SC(C)(C)C)cc1 278539802 GFMYYLOPRLINPK-UHFFFAOYSA-N 276.405 3.674 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(SC)c1C 278657873 FBXOKZRJPXMWLT-IUODEOHRSA-N 291.416 3.637 30 20 CHED CN(Cc1ccc(Br)cc1)[C@@H]1CC[C@@H](C#N)C1 278746288 WTNOYPLTEWAVBF-TZMCWYRMSA-N 293.208 3.573 30 20 CHED CC[C@@H](NCc1sc(C)nc1C)c1ccc(C#N)cc1 278889758 YLCSXOGJFVHCLP-OAHLLOKOSA-N 285.416 3.873 30 20 CHED CCC1(C(=O)Nc2cc(C#N)ccc2NC)CCCC1 281104220 GHGFOAWFBJMWHK-UHFFFAOYSA-N 271.364 3.509 30 20 CHED COc1cc(CN[C@@H]2CCCc3ccccc32)ccc1C#N 281703105 NWOKSDINEOJNCW-GOSISDBHSA-N 292.382 3.734 30 20 CHED C=C(C)CCc1noc(C[C@H](O)c2ccc(Cl)cc2)n1 285043341 GVZHTCLXTKJQQK-ZDUSSCGKSA-N 292.766 3.508 30 20 CHED CCc1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1Cl 287852352 XHEAIOHGYUMGNV-SNVBAGLBSA-N 279.771 3.526 30 20 CHED CN(C(=O)C(C1CCC1)C1CCC1)c1ccccc1C#N 288604655 OMJDFYZEVBCKJN-UHFFFAOYSA-N 282.387 3.737 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccnc1C(F)(F)F 288830401 BPARYIIKBFBJLP-UHFFFAOYSA-N 284.281 3.807 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2ccncc2)c(C)c1 293716711 MGXBKATVQUVISI-SFHVURJKSA-N 293.370 3.935 30 20 CHED CCc1ccc([C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)cc1 294189332 AXVDNHSAMDQHGX-AUUYWEPGSA-N 296.414 3.900 30 20 CHED Cc1nc2ccccc2n1C1CCN([C@H](C)CCC#N)CC1 298581016 QYMGXIRKQKECRE-CQSZACIVSA-N 296.418 3.674 30 20 CHED COc1ccc(C)cc1CSc1ccc(C#N)cn1 301089986 UYZLMRBMPMRSIV-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CC[C@H](CNc1ccc(C#N)cc1)Oc1ccccc1F 301490353 APWMQXQYPGIMTK-OAHLLOKOSA-N 284.334 3.967 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1ccc(Cl)c(C#N)n1 301513813 FZHYFMIVPLZYJA-JQWIXIFHSA-N 281.812 3.693 30 20 CHED CC(C)[C@@H]1OCCC[C@@H]1CNc1cccc(F)c1C#N 301591173 QQADYFMQCJCEBR-WBMJQRKESA-N 276.355 3.560 30 20 CHED N#Cc1ccc(NCC2(Cc3ccccc3)CCC2)nc1 301625944 QDGBFKCIJKYSRY-UHFFFAOYSA-N 277.371 3.778 30 20 CHED C[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C 301949786 DEMWPISOXZTLNF-OLZOCXBDSA-N 265.360 3.589 30 20 CHED CCO[C@H](CCNc1ccc2cc(C#N)ccc2n1)C(C)C 301976455 MJEBFKNPGVXZCI-QGZVFWFLSA-N 297.402 3.970 30 20 CHED COc1cccc(OC)c1Sc1cccc(F)c1C#N 302741340 CVGCZSRWBNIUPI-UHFFFAOYSA-N 289.331 3.866 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1 303252705 BQYZHDPXQDWKJM-GQCTYLIASA-N 297.310 3.813 30 20 CHED N#Cc1ccc(NCC2(c3cccc(F)c3)CC2)c(F)c1 303790451 HYXJHQBGJAFKTK-UHFFFAOYSA-N 284.309 3.980 30 20 CHED Cc1cc(C#N)cc(NCc2cc(F)ccc2F)c1 308111452 NWNUVCKORXQOGP-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=C(Cl)CNCc1ccc(C(F)(F)F)s1 308857341 SHYSQMHNVCBPGW-UHFFFAOYSA-N 255.692 3.609 30 20 CHED Cc1ccc(C[C@@H](C)Nc2ccc(C#N)c(C)n2)s1 311604310 HQBBOOQENHRIMD-SNVBAGLBSA-N 271.389 3.675 30 20 CHED CO[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 312526872 IYZAJGQWOSRVCX-ZDUSSCGKSA-N 286.297 3.660 30 20 CHED Cc1ccc(F)cc1CNc1cccc(CC#N)c1 313434829 FLQMGPOFIRQMBE-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C[C@@H](N[C@H](C1CCC1)C1CC1)c1ccc(C#N)cc1 324668370 KHYCYMPATMLEMZ-SJKOYZFVSA-N 254.377 3.788 30 20 CHED O/C(=N/CC1CCCCC1)c1cc2nc[nH]c2cc1F 329332345 WPAIHAMEBYZENY-UHFFFAOYSA-N 275.327 3.587 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)C1CCC(O)CC1 330188485 UOLPSNBVZWTRPS-UHFFFAOYSA-N 299.374 3.524 30 20 CHED CCC(CC)[C@@H]1C[C@H](N/C(O)=N/CC2CCCC2)CCO1 330739959 OUVJJWDGRXPXTE-CVEARBPZSA-N 296.455 3.664 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@H]([C@@H](C)CC)C(F)(F)F 331244771 ZTPMXBAPEVWVAL-WRWORJQWSA-N 292.301 3.827 30 20 CHED CCc1ccc(CC)c(N/C(O)=N/[C@H](C)[C@@H]2CCCO2)c1 331252285 QDSLVUBORPIXSM-WBMJQRKESA-N 290.407 3.705 30 20 CHED CC(C)c1ncsc1/C(O)=N/C[C@H](O)C1CCCCC1 331319883 KWRBHOOJBHZPDX-LBPRGKRZSA-N 296.436 3.512 30 20 CHED CC[C@@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 334167409 AOWJHVQNMAEJIT-OAHLLOKOSA-N 285.391 3.894 30 20 CHED C[C@@H]1CC=C(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 335076545 MEZUGALLMUQNLK-ZIAGYGMSSA-N 282.387 3.824 30 20 CHED CSc1cccc(C)c1NC(=O)c1cc(C#N)oc1C 336152506 DIPNSQYYZWXYHJ-UHFFFAOYSA-N 286.356 3.742 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCc3ccccc32)CC1 336229088 TYLGTWHFRCGJBP-HJOIGYKYSA-N 268.404 3.778 30 20 CHED N#CCN(C(=O)c1ccc(C(F)F)cc1)c1ccccc1 338647466 DVXYJPRFHHUVHC-UHFFFAOYSA-N 286.281 3.795 30 20 CHED Cc1cc(N2CCC[C@H]2c2cccs2)cc(C#N)n1 341371411 ZBAORJRVRBIREE-AWEZNQCLSA-N 269.373 3.665 30 20 CHED N#Cc1cccc(N[C@@H]2CCCOc3cc(Cl)ccc32)n1 342780340 GBDOQZWQCFHYJP-CQSZACIVSA-N 299.761 3.932 30 20 CHED Cc1ccc([C@@H]2CCN(c3cc(C#N)ccn3)C2)c(C)c1 343086719 UDECRSOPUHJEFW-MRXNPFEDSA-N 277.371 3.564 30 20 CHED C=CCCC1(c2nc(-c3ncccc3SC)no2)CC1 347134500 DQBLOOWSGJJLCF-UHFFFAOYSA-N 287.388 3.851 30 20 CHED C=CCN(CC=C)Cc1cscc1Br 347659666 ZEKQGJMZVSGPDV-UHFFFAOYSA-N 272.211 3.685 30 20 CHED Cc1ccc([C@H](C)NC(=O)NCC(C)(C)CCC#N)cc1 351836348 WJGOCSABRRTRBN-AWEZNQCLSA-N 287.407 3.685 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H](CC#N)c1ccccc1 352519263 NDWDDBXALYIKJP-INIZCTEOSA-N 284.403 3.792 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(F)cc1C#N 352700596 SPHOOYGOMWPIOY-UHFFFAOYSA-N 284.334 3.521 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCC1(C3CC3)CCC1)CC2 353252811 KARNLBWAGDSGOO-KRWDZBQOSA-N 266.388 3.715 30 20 CHED Cc1occc1-c1noc(/C=C\c2ccccc2C#N)n1 354049791 RDMIVXKDZBSBAB-SREVYHEPSA-N 277.283 3.680 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)C[C@H](CC#N)c1ccccc1 355139156 WACPIAOZSFKMMR-DZKIICNBSA-N 272.392 3.625 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccn(C)c1CC 356182674 IYFOCACLTOOFQK-UHFFFAOYSA-N 296.414 3.806 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@@H]2c2cccc(OCC)c2)CC1 356696367 IKEAXELHSYXZQH-SJORKVTESA-N 299.414 3.804 30 20 CHED C=C(C)CN(CC)C(=O)CN[C@H](CCC)c1ccccc1 357298376 ZTIMRULVVBDEER-QGZVFWFLSA-N 288.435 3.542 30 20 CHED Cn1nccc1-c1ccccc1OCc1cccc(C#N)c1 358596403 VQKRMPYNBRTUGD-UHFFFAOYSA-N 289.338 3.538 30 20 CHED Cc1nc(C(=O)N[C@@H](C)CCC2CCCCC2)ccc1C#N 359457741 MEKWQSRGHJXNAO-ZDUSSCGKSA-N 299.418 3.741 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2ccccn2)cc1 362267719 KMEUPUWTBIORIB-KRWDZBQOSA-N 279.343 3.627 30 20 CHED CC(C)OCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 371781488 KUPCNWUZQAWOHJ-ROUUACIJSA-N 286.419 3.573 30 20 CHED N#CC[C@H]1CCCN(Cc2cccc(F)c2Cl)C1 397751274 PLLNMEOWLOALKC-LLVKDONJSA-N 266.747 3.605 30 20 CHED N#CC1(CSc2ncnc3ccccc23)CCCC1 405161397 PENIBIVKLBBLAW-UHFFFAOYSA-N 269.373 3.806 30 20 CHED CC[C@@H]1[C@H](C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 409732761 VSXPSTCEVUFXFZ-BXKDBHETSA-N 283.297 3.597 30 20 CHED C[C@@]1(C(=O)Nc2ccc(C#N)cc2Cl)CC=CCC1 410590533 OGISNBJQONQRMM-OAHLLOKOSA-N 274.751 3.897 30 20 CHED N#CCN(CCC1(C#N)CCCCC1)C1CCCC1 411281293 AFTPOPKNMFDEDX-UHFFFAOYSA-N 259.397 3.619 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1F)c1ccc(C)cc1 413028125 OHQUAODFFWYVSC-OAHLLOKOSA-N 269.323 3.964 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)CC(F)(F)F 414276645 YGTKJOIYAGXPRP-UNXYVOJBSA-N 262.319 3.637 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCN[C@H](C)C1 414682807 RZOLPNGUWHMNCU-OLZOCXBDSA-N 298.883 3.778 30 20 CHED C=CCCCNC(=O)N[C@@H](CC(F)F)c1ccccc1 420832889 FAWNTDLPWJKVHX-ZDUSSCGKSA-N 282.334 3.648 30 20 CHED C=CCC[C@H](NCCCC1(O)CCC1)c1ccco1 421861056 TUHZMZCXFFEHHI-AWEZNQCLSA-N 263.381 3.572 30 20 CHED Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Br 424209051 YXCWVOLKLLQMPV-WCQYABFASA-N 293.208 3.539 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 424359832 IHAZMLMJMYRCRP-UHFFFAOYSA-N 287.319 3.807 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)CCCc1ccccc1 424586264 DXCMEHWQYARCEG-UHFFFAOYSA-N 259.393 3.680 30 20 CHED C=CC[C@@H](NCc1cc(-c2ccccc2)cs1)C(=O)O 426810146 HYTACMDTXNITHL-OAHLLOKOSA-N 287.384 3.534 30 20 CHED Cc1c(C(=O)N2CCC(C)CC2)sc2ccc(C#N)cc12 427991115 XDEXNQZTRBGDIE-UHFFFAOYSA-N 298.411 3.954 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc(OC(F)(F)F)cc1 429778368 AYTXCJKUUQWBCP-LLVKDONJSA-N 298.308 3.930 30 20 CHED CCc1ccc(Cn2nc(C#N)c3ccccc32)cc1 432485602 MMSFCJKTDUHSDB-UHFFFAOYSA-N 261.328 3.519 30 20 CHED COC(=O)c1ccc([C@@H](C)Sc2cccc(C#N)c2)o1 435037638 YDOXRKNXRBAHML-SNVBAGLBSA-N 287.340 3.791 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1=C(C)CCC1 437251800 CLRMRKAQOROBDG-UHFFFAOYSA-N 269.388 3.744 30 20 CHED CCC[C@H](C)N(C)Cc1ccc(C#N)cc1OC(F)F 437433073 JCFWGBSRIQVLOU-NSHDSACASA-N 282.334 3.780 30 20 CHED C=CCCCOc1ccc(NC(=O)c2cccnc2)cc1C 442114965 BJGZWXDVXHDKGQ-UHFFFAOYSA-N 296.370 3.987 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(c3ccc(F)cc3)CCC2)C1 442780644 KYZBVSNXWNNMLN-CJNGLKHVSA-N 272.367 3.529 30 20 CHED COc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1C(F)(F)F 442857357 NBHJIOFGIITMGI-NXEZZACHSA-N 284.281 3.818 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)C1CCC(C)(C)CC1 445707866 SWAOSUINANSBSI-QGZVFWFLSA-N 281.440 3.642 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 446640706 YNMISSXPZANUBK-QZTJIDSGSA-N 298.430 3.781 30 20 CHED C=CC[C@@H]1N(Cc2ccc(COC)o2)CCCC1(C)C 446826645 JVRZDAKIXNTFNG-INIZCTEOSA-N 277.408 3.993 30 20 CHED Cc1ccc(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)c(C)c1 448283796 NSPKIDNZQOFYSI-RTBURBONSA-N 298.430 3.731 30 20 CHED C=CCCCC[C@H](C)N[C@@H](CO)c1ccc(F)cc1 449145984 AWHLZYDDWWWUJL-BBRMVZONSA-N 265.372 3.584 30 20 CHED C=CCOc1cccc(CNCc2cc(C)cs2)c1 449477982 JHQOQKPMDNYODB-UHFFFAOYSA-N 273.401 3.911 30 20 CHED C=CC(C)(C)CN[C@@H](C)CCc1n[nH]c2ccccc12 449484575 HZZCHIPWFXLIDM-ZDUSSCGKSA-N 271.408 3.686 30 20 CHED C=CC(C)(C)CN[C@H](C)CCc1ccc(OC)c(O)c1 449485753 OOQGBCOCFXIJNW-CYBMUJFWSA-N 277.408 3.524 30 20 CHED N#Cc1cccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)c1 449624089 MSUHOMOPMGLDBZ-HZPDHXFCSA-N 298.411 3.630 30 20 CHED C=CC(C)(C)C(=O)N1CCC(CCC(C)C)CC1 450110989 GOGHEEJEVMRPRK-UHFFFAOYSA-N 251.414 3.873 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 450195466 UZQYPTHOHMKCEO-BRWVUGGUSA-N 284.403 3.830 30 20 CHED C=C(C)CCNC(=O)[C@@H](OC1CCCC1)c1ccccc1 452727168 XPBJCZAGWQVTPP-KRWDZBQOSA-N 287.403 3.769 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 454892477 UMDVUVWDSXAPGR-ZIAGYGMSSA-N 290.382 3.727 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(OCC)ccc1Cl 455749972 GGGGTTVLUAUFNE-UHFFFAOYSA-N 282.771 3.779 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1cccc(CC#N)c1 455904930 KPUBZOKMBUPSAL-CHWSQXEVSA-N 285.391 3.699 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(CC#N)c1 456750741 MKOXRWOTXYOUSY-GDBMZVCRSA-N 270.376 3.908 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)N(C)CC(C)(C)C#N 459492193 VVPFQZYZIVCTKQ-CYBMUJFWSA-N 256.393 3.718 30 20 CHED CCC1(CC)CN(Cc2cc(F)ccc2C#N)CCS1 464579878 DDEPJHWLQXXNHM-UHFFFAOYSA-N 292.423 3.805 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1oc2ccccc2c1C 464749696 FCHAIONVHXFIHK-PWSUYJOCSA-N 272.348 3.676 30 20 CHED CC#CCCCC(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C 466237448 ANEOTQAAFOOKQQ-ZIAGYGMSSA-N 287.378 3.854 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCC(C)(C)Oc1ccccc1 466433526 IMZIIAXPQHMTLI-CQSZACIVSA-N 275.392 3.563 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1CCCc2ccccc21 466525570 GXUZSRKVMTWBTN-GOEBONIOSA-N 257.377 3.577 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)c1ccc(F)cc1F 472799726 OGZPXDCVGJRCDP-NSHDSACASA-N 282.334 3.681 30 20 CHED C=CCCCCNC(=O)N1CCC(OCCC(C)C)CC1 472853359 OFWLQFAINMXJIO-UHFFFAOYSA-N 296.455 3.579 30 20 CHED C=CCCCCNC(=O)Nc1ccc(F)cc1OCC 473665248 NQEBJTZSYKYPCZ-UHFFFAOYSA-N 280.343 3.702 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CCc2ccccc21 474089129 MAOZQVPNQYUWAG-INIZCTEOSA-N 272.392 3.672 30 20 CHED N#Cc1csc(CN2CCOc3c(Cl)cccc32)c1 475136408 HMEKXTDRCNUBMH-UHFFFAOYSA-N 290.775 3.672 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1C[C@]1(C)C(C)C 477016554 CVNQUYBTSHXEAQ-GDBMZVCRSA-N 251.414 3.873 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H](c2ccc(F)cc2)CC1 481437519 GUGFXULEDSUNBZ-QAPCUYQASA-N 291.410 3.722 30 20 CHED CC#CCCNC(=O)N1CCCC[C@H]1c1ccc(C)cc1 483422981 YUZDSWGYENWKLA-KRWDZBQOSA-N 284.403 3.645 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1sc(CCC)nc1C 488861055 VBEYKDDXRFPLAM-LBPRGKRZSA-N 278.421 3.585 30 20 CHED C=CCn1cccc1C(=O)N1CCCC[C@@H]1CC(C)C 489039899 KLBLFQRYHYXZSB-OAHLLOKOSA-N 274.408 3.715 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC2(CCC2)[C@H]1C(C)C 489853672 GVCMOGWPMDESBV-LSDHHAIUSA-N 278.440 3.951 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1c(CC)cc(C)cc1CC 491361135 IZTABDGRATYTMA-CYBMUJFWSA-N 272.392 3.605 30 20 CHED C=CCCSCc1ccn(-c2c(F)cccc2F)n1 507632559 GSAXJKDICJDAPC-UHFFFAOYSA-N 280.343 3.960 30 20 CHED N#Cc1ccc(CN2CC[C@@H](COc3ccccc3)C2)s1 507715978 SOLGTPJAISCLMV-CQSZACIVSA-N 298.411 3.521 30 20 CHED C=C1CCN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 517799578 INMDVLCLPCGQPW-GFCCVEGCSA-N 275.417 3.665 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc2ccccc2n1C 519055836 PLTFYUCDHCDTQC-UHFFFAOYSA-N 297.402 3.580 30 20 CHED C=CCOCC(=O)N(CCCC)[C@H](C)c1ccccc1 523148201 ZOFBYNZOZOUPKU-OAHLLOKOSA-N 275.392 3.579 30 20 CHED CCOc1ccccc1-c1noc(C(C#N)(CC)CC)n1 528092125 OCIAMYHCFQJRNH-UHFFFAOYSA-N 285.347 3.717 30 20 CHED Cc1cocc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 529008518 KFNXCEQVZJOLEY-JTQLQIEISA-N 288.372 3.832 30 20 CHED CSCc1cccc(Nc2ncccc2C#N)c1 530668520 MSISFYNJQXEYGE-UHFFFAOYSA-N 255.346 3.560 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)CCOc1ccccc1 539435319 WPNSYPVCRPZMLT-CVEARBPZSA-N 289.419 3.953 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1(C)CCCCC1 539464273 GFQDBMVCLKNTOW-ZDUSSCGKSA-N 252.402 3.753 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C#N)cc1 539827482 DCTAJXVTZDVGSD-KXBFYZLASA-N 276.383 3.936 30 20 CHED C=CC1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 541534038 GRKFZSQRXDZVEO-UHFFFAOYSA-N 287.451 3.866 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2C(=O)NC[C@@H](C)C#N)cc1 543804089 LYEGSRFDLIOWFQ-YOEHRIQHSA-N 299.418 3.816 30 20 CHED Cc1ccc(C(=O)N(CCC#N)C(C)C)c(Cl)c1C 544001229 DHWAQJCZZHSCFQ-UHFFFAOYSA-N 278.783 3.721 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCC[C@H]1c1ccccc1Cl 544603749 QNSAQVALNIURLL-QRTARXTBSA-N 293.838 3.750 30 20 CHED CCC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 544674970 QYMLZSOIVACBPZ-WMLDXEAASA-N 299.418 3.983 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc(CC#N)cc1 546867250 HAXVUMNJZUSXAT-OAHLLOKOSA-N 292.382 3.861 30 20 CHED C=C[C@H]1CCCCN1c1nccc(C)c1Br 553567931 RORVKSLGCFZRIK-NSHDSACASA-N 281.197 3.697 30 20 CHED C=CCn1c(SCCOCC(F)F)nc2ccccc21 556290691 VFTJIIGEYQMGBZ-UHFFFAOYSA-N 298.358 3.596 30 20 CHED Cc1ccc([C@@H]2CCN(c3cccnc3C#N)C2)c(C)c1 558608075 FVISVBDSGMQVRO-OAHLLOKOSA-N 277.371 3.564 30 20 CHED C=C(C)COc1cc(CN[C@@H]2CCC[C@@H]2F)ccc1OC 559358867 LRCBUKMIZRQKDY-LSDHHAIUSA-N 293.382 3.630 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCCC[C@H]1CC 564370351 QGSNKYOCGKKJAW-OAHLLOKOSA-N 288.439 3.891 30 20 CHED CCc1ccc([N+](=O)[O-])cc1NCc1cccc(C#N)c1F 564559816 RZZDUJIKZMXMBD-UHFFFAOYSA-N 299.305 3.780 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(CC#N)c1 567081688 WNXYNKREHBZJIZ-ZFWWWQNUSA-N 270.376 3.908 30 20 CHED C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)Oc1ccccc1 567970987 QVMUPEZDKAFENT-LIRRHRJNSA-N 292.382 3.603 30 20 CHED O=C(NCC#Cc1cccc(F)c1)[C@H]1CCCC[C@@H]1C1CC1 569107439 WGEWLVLEBGVGFQ-MSOLQXFVSA-N 299.389 3.510 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccc(O)c2)CCCCC1 569307039 XGZOBPKLHAHPSU-UHFFFAOYSA-N 287.403 3.877 30 20 CHED C[C@@H](N(C)c1ccc(C(F)(F)F)c(C#N)n1)C(C)(C)C 569894024 HQPJKMKPBCJXOK-SECBINFHSA-N 285.313 3.843 30 20 CHED Clc1cccc(C#CCN2CC[C@H](c3ccncc3)C2)c1 575811831 DRFLXEBDHTUGGY-KRWDZBQOSA-N 296.801 3.576 30 20 CHED CC1(C)CCCN(Cc2ccc(Br)o2)[C@@H]1C#N 576304547 BYJNLIYFGRYDQV-LLVKDONJSA-N 297.196 3.556 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 578343587 XVYCHKFQHRSRME-FMUWMXLXSA-N 266.388 3.597 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2C[C@]2(C)CC)cc1 579855000 RKZHNJCKIAYQEN-RYRKJORJSA-N 284.403 3.708 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccsc2C)cc1 580841438 HEKXIOCWNDCKMG-MRXNPFEDSA-N 298.411 3.956 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@@]23CCC[C@H]2C3)CC1 581937400 FRSOSUNGUZTKJL-WZTMSUDTSA-N 288.435 3.791 30 20 CHED CSc1cccc(NC[C@H](C#N)CCC#N)c1C 582960531 XQNVUOFVTSHWAB-LBPRGKRZSA-N 259.378 3.572 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCCC[C@@H]1CC 583052699 GYARTOVMPPJSJV-AWEZNQCLSA-N 290.455 3.822 30 20 CHED Cc1ccc(C)c(Cc2noc(-c3cc(C#N)oc3C)n2)c1 583959489 FQOXCZIHKSFNHP-UHFFFAOYSA-N 293.326 3.717 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC1CC(C(F)(F)F)C1 588232804 LBCSOASTDFQBSN-PIMMBPRGSA-N 294.320 3.866 30 20 CHED COc1cccc(/C=C\C(=O)c2ccccc2F)c1F 588619061 JCVKXELFOASHDR-KTKRTIGZSA-N 274.266 3.870 30 20 CHED CCn1cc([C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)cn1 590730742 XWBQMIFDLOYIRK-LBPRGKRZSA-N 297.406 3.640 30 20 CHED C=C(C)CN1CCC(NCc2ccc(CCC)cc2)CC1 592291241 XFAPOGBDTYYRIH-UHFFFAOYSA-N 286.463 3.769 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 592600083 KMYFKYVCEZLARR-RHSMWYFYSA-N 282.387 3.872 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1ccccc1)CC(C)(C)C 593453513 IFFAZHILQQPZGK-HNNXBMFYSA-N 272.392 3.611 30 20 CHED C[C@H]1CN(c2ccncc2C#N)CCc2ccc(Cl)cc21 593494138 ZJJBDQWQEMCHJC-LBPRGKRZSA-N 297.789 3.773 30 20 CHED CC(C)N(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CCC1 593980738 PQSYQNDSEZVVPF-AWEZNQCLSA-N 284.403 3.526 30 20 CHED N#CCC1(CSc2cc3c(cc2Cl)OCCO3)CC1 594889835 BYEGVNBHBIWFQR-UHFFFAOYSA-N 295.791 3.897 30 20 CHED N#Cc1ccc(CCSc2nnc(C3CC3)s2)cc1 594895444 KRXSQNAQTWEFOL-UHFFFAOYSA-N 287.413 3.622 30 20 CHED Cc1cc(N2CCC[C@@H](CC#N)C2)c2cc(F)ccc2n1 596330247 RQRLEOQZDCHNHL-ZDUSSCGKSA-N 283.350 3.812 30 20 CHED N#Cc1cc(F)ccc1-c1ccc(OC[C@H]2CCCO2)cc1 596635989 LNVYAYZXVOUHBY-QGZVFWFLSA-N 297.329 3.922 30 20 CHED C[C@@H](CCc1ccccc1)CN1CCC[C@H](CC#N)C1 597176242 GWHILJYMMRKDOY-FUHWJXTLSA-N 270.420 3.881 30 20 CHED C=CCC1(NC2CCC(CSC)CC2)CCOCC1 597204323 AEBGMQMDLKNUMB-UHFFFAOYSA-N 283.481 3.623 30 20 CHED C[C@@H](CCC#N)CNCCCO[C@@H](C)c1ccccc1 602509014 AMDABMSTYRDYIY-HOTGVXAUSA-N 274.408 3.684 30 20 CHED Cc1ccccc1[C@H](NC[C@@H](C)CCC#N)C1CC1 602547000 WBKOLWUKRSQTAO-SUMWQHHRSA-N 256.393 3.976 30 20 CHED CCCN(Cc1ccccc1F)C(=O)c1cccc(C#N)c1 603519971 ZXUZOBLAQCTKRS-UHFFFAOYSA-N 296.345 3.750 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)CSC 609936043 JGEIIZHOLDEZNV-CYBMUJFWSA-N 284.469 3.516 30 20 CHED CC1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)CC1 610244973 QUMDHMUWARYLJA-UHFFFAOYSA-N 287.313 3.621 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCc1cccs1 611390416 YGTGYWNQCRUWMS-KRWDZBQOSA-N 282.412 3.829 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2/C=C\c2ccccc2)nc1 611541395 CSPGYAOIGQLIPE-SECOEOQKSA-N 275.355 3.635 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1nc(C)cc(CC)n1 613282304 DLHHXBNZANAOEM-UHFFFAOYSA-N 294.402 3.636 30 20 CHED C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@](F)(C#N)C1 615646882 WXOZAKVIQAKCHH-RNCFNFMXSA-N 287.165 3.992 30 20 CHED Cc1[nH]ccc(=NCc2ccc(C#N)c(Cl)c2)c1Cl 619746547 DCVCXLWMXOTUFQ-UHFFFAOYSA-N 292.169 3.603 30 20 CHED C=CCN(C(=O)c1ccc(Cl)cc1OC)C(C)(C)C 622943901 WFYLCCZVCUMMMG-UHFFFAOYSA-N 281.783 3.775 30 20 CHED C=CC[C@@H](C(=O)N1CCCC(F)(F)CC1)c1ccccc1 628632233 HGZWEQOPLNBEHN-OAHLLOKOSA-N 293.357 3.994 30 20 CHED C=CCCc1noc([C@@H](C)Cc2ccc(OCC)cc2)n1 643121262 ZMQVJNMWFDJNME-ZDUSSCGKSA-N 286.375 3.933 30 20 CHED C=CCCCNC(=O)NC1(c2ccccc2Cl)CC1 645481413 KQVLBXHMRYWPBN-UHFFFAOYSA-N 278.783 3.595 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(F)cc1F 664468893 DVOBCHNSHQKUDZ-UHFFFAOYSA-N 268.307 3.831 30 20 CHED O=C(NO)[C@H](Sc1cccs1)c1cccc(Cl)c1 671994749 CJWSXANUJNWCOH-LLVKDONJSA-N 299.804 3.740 30 20 CHED C=CCCc1nc(Cc2nc3cc(F)ccc3s2)no1 680744842 TUARFGBRRZVVFP-UHFFFAOYSA-N 289.335 3.528 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 682437579 DGSFFFODUYJLIY-DMDPSCGWSA-N 277.330 3.778 30 20 CHED C=CC[C@H]1N(C(=O)NCc2ccoc2C)CCCC1(C)C 683544223 NOBWVHFRXFGXLJ-OAHLLOKOSA-N 290.407 3.864 30 20 CHED CS[C@@H]1CC[C@H](N(C)c2nc(C)c(C#N)cc2Cl)C1 707248690 ICXDVSKTBXQXDR-NWDGAFQWSA-N 295.839 3.635 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCc1cccc(C#N)c1 727881134 MFSWBHNQIUHBHP-CYBMUJFWSA-N 259.349 3.674 30 20 CHED C#CCOc1cccc(OC(=O)[C@H](C)SCCCC)c1 730500455 LIKGKFQPJWNTIN-ZDUSSCGKSA-N 292.400 3.526 30 20 CHED CC1(C)CC(=NNc2cccc([N+](=O)[O-])c2)c2ccoc2C1 731486248 ROUYHKJXDFUWGN-UHFFFAOYSA-N 299.330 3.976 30 20 CHED CCCC(Cc1ccccc1)=NNc1cc(C)ncn1 731934954 LOGICTZXVPAXRD-UHFFFAOYSA-N 268.364 3.596 30 20 CHED CCC(CC)NN=Cc1ccc(SC)c(OC)c1 734366121 FSECYQKBLHTLJH-UHFFFAOYSA-N 266.410 3.529 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(F)cc2F)C1(C)C 736427989 DVFQVHYLTLCWBQ-CYBMUJFWSA-N 268.307 3.568 30 20 CHED COc1cccc(/C=N/CC2(c3cccc(F)c3)CC2)c1O 739426443 MCECURGXHVOPDV-RGVLZGJSSA-N 299.345 3.691 30 20 CHED CCCCCCCN(C)C1CCN(C(C)C)CC1 740875453 AUXCBANBJIYCIY-UHFFFAOYSA-N 254.462 3.761 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CC[C@@H]2CCC[C@H]2C1 742378986 QGPCCGHRBKYIQC-XYJFISCASA-N 283.415 3.757 30 20 CHED C=C(C)CCOC(=O)Cc1cccc(C(F)(F)F)c1 744305339 ZBVCGUCAAQAILA-UHFFFAOYSA-N 272.266 3.757 30 20 CHED CCC(C)(C)CCOC(=O)[C@@H](C)Oc1ccc(C#N)cc1 744341895 FNPFEOVDTQCYIJ-CYBMUJFWSA-N 289.375 3.695 30 20 CHED C=CCCCC(=O)OCc1cc([N+](=O)[O-])ccc1Cl 748233488 BCJHTJKHSMTHCD-UHFFFAOYSA-N 283.711 3.648 30 20 CHED C/C(=C\C(=O)OCCCC#N)c1ccc(C(F)(F)F)cc1 748384622 FIWGQVWBQCSQLE-ZHACJKMWSA-N 297.276 3.956 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)Cc2ccc(F)cc21 749002546 LFCSHKNPCSQSGO-XFFZJAGNSA-N 274.241 3.926 30 20 CHED COc1ccc(NN=Cc2ccc(C)cc2C)cc1 750922079 MYBSJOYXORTETM-UHFFFAOYSA-N 254.333 3.758 30 20 CHED COc1ccc(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 750945962 KEHNWCRIEKPHBU-IAQYHMDHSA-N 270.332 3.858 30 20 CHED CN(C(=O)C1(Cc2ccccc2)CC1)c1ccccc1C#N 752819951 SGHYATAYLBHDBB-UHFFFAOYSA-N 290.366 3.544 30 20 CHED CC[C@@H](C)C=Nn1c(S)nnc1-c1ccccc1Cl 755523729 HMYSFDJHXANLHK-SECBINFHSA-N 294.811 3.767 30 20 CHED C=CCCOC(=O)c1cc(F)cc(C(F)(F)F)c1 756236473 NMYXOASSJAZTCP-UHFFFAOYSA-N 262.202 3.577 30 20 CHED C#CC[C@@H](/N=C\c1c(O)cccc1OC)c1ccccc1 756847712 VEDQKJNONRRALJ-YZYPPFLQSA-N 279.339 3.584 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H]1CC(C)C)c1ccccc1 757065545 VJHMKIKXLVHONY-ROUUACIJSA-N 298.430 3.971 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](CCOC(=O)c2ccc(C#N)cn2)C1 757068442 LEYMLHMHEBBXQD-WDNDVIMCSA-N 286.375 3.572 30 20 CHED O=C(/C=C/c1ccccc1F)c1cc(F)cc(F)c1O 757471459 CPROUSMGKDSKER-AATRIKPKSA-N 278.229 3.706 30 20 CHED C#CC[C@H](NC(=O)/C=C(\C)CCC)c1ccccc1 757579832 PSFGWPZPMITGED-VUSFMPOISA-N 255.361 3.614 30 20 CHED C=CCN(C(=O)Nc1cnn(CC(C)C)c1CC)C(C)C 757903690 OHUSABLCIJWMHN-UHFFFAOYSA-N 292.427 3.530 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1cc(Cl)cs1 759167615 UTMBKOOQEQXOGC-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C#CCCCCCc1nc(Cc2ccc(C)cc2)no1 761567884 RTMPZGOSQRDTPQ-UHFFFAOYSA-N 268.360 3.705 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccccc1Br 766434008 JNVGBKGFPZQOBU-CYBMUJFWSA-N 297.196 3.806 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(C)s1 766771740 KSIXBQLERYGYJB-SREVYHEPSA-N 257.358 3.910 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](CCC)CCc1ccccc1 767094180 XVGRNNXGRBSODT-QGZVFWFLSA-N 285.431 3.954 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(Cl)c(C)c1 767118851 WIVFXGNUMOSRTJ-UHFFFAOYSA-N 264.752 3.741 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc3ncccc3c2)c1 767367156 OWAGGMLRUCUZPO-ALCCZGGFSA-N 274.323 3.834 30 20 CHED Fc1ccc(NN=CC2CCC(C(F)(F)F)CC2)nc1 767378116 MVHCMGOABLWQNG-UHFFFAOYSA-N 289.276 3.987 30 20 CHED CCCCCC(C)=NNc1cc(C#N)cc(Cl)n1 768380296 MMNGUVXXRJCZLH-UHFFFAOYSA-N 264.760 3.975 30 20 CHED CC(C)CC1CCN(Cc2ccc(C#N)s2)CC1 770347835 CBAFSEPDFMMZMR-UHFFFAOYSA-N 262.422 3.878 30 20 CHED COc1cccc(O)c1C=Nc1cc(C)cc(F)c1 770479392 TVUYACYPXWODMU-UHFFFAOYSA-N 259.280 3.599 30 20 CHED N#Cc1cc(Cl)ccc1COc1cccnc1Cl 774762585 PVIBVPZFOSLDBO-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C#CCOc1ccccc1NCc1cccc2cc[nH]c12 775359803 BHLXRFIQVVRQQV-UHFFFAOYSA-N 276.339 3.792 30 20 CHED C[C@H](N[C@H](C)COc1ccccc1)c1ccc(C#N)cc1 776160394 OWOMHORPFMBECW-CABCVRRESA-N 280.371 3.676 30 20 CHED COc1ccc2oc(/C=C\C(=O)c3cscn3)cc2c1 776192986 OBLCGZPPVQKZAI-RQOWECAXSA-N 285.324 3.794 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@H]1CCCCO1 776734235 PUMUXIJTCNUHSE-CYBMUJFWSA-N 292.400 3.691 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=C1CC(C(F)F)C1 777447898 KQLRSBRTBVBAFS-WUJWULDRSA-N 280.362 3.874 30 20 CHED CC(=NNc1ccccc1OC(F)(F)F)c1ccncc1 777452803 IOLANPZBRPBGEO-UHFFFAOYSA-N 295.264 3.816 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)OCc2ccc(C#N)cc2)cc1 778877361 KKNOUINHANPZFH-OAHLLOKOSA-N 293.366 3.789 30 20 CHED O=C1/C(=C/c2cc3ccccc3o2)Cc2cc(O)ccc21 780189336 ZXHFYVHTIFKBBT-JLHYYAGUSA-N 276.291 3.961 30 20 CHED C#CCCCCCC(=O)Nc1cc([C@@H](C)CCC)[nH]n1 780551874 IOSPEDKYPIAZHG-ZDUSSCGKSA-N 275.396 3.836 30 20 CHED C[C@@H]1C(=NNc2ncnc3ccsc23)CCC[C@H]1C 781128716 TUGOLKHSWMRSJL-ZJUUUORDSA-N 274.393 3.915 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 783718009 NBVYYFGMUHADRQ-GOSISDBHSA-N 299.462 3.904 30 20 CHED Cc1ccc(CCCN(CCC#N)CC(C)C)cc1 784159585 MBRVMVSMKXTEHQ-UHFFFAOYSA-N 258.409 3.799 30 20 CHED C[C@H](C(=O)OCc1ccc(C#N)cc1Cl)C(C)(C)C 784228111 BHFWOFSGUNAMNX-SNVBAGLBSA-N 279.767 3.937 30 20 CHED C#CCCCOC(=O)c1cnn(C2CCCC2)c1CCC 784841155 LIHDGROFHWAQDB-UHFFFAOYSA-N 288.391 3.521 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1ccc(F)cc1F 785106249 DEAGZHWMUJQCOY-VIFPVBQESA-N 267.275 3.509 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ncc(-c2ccccc2)o1 785768714 LEBYLILUZWAXDU-QGZVFWFLSA-N 285.343 3.987 30 20 CHED C=CCCN(C)Cn1ccn(Cc2ccccc2)c1=S 786101001 HRBMSUHJBDBTEW-UHFFFAOYSA-N 287.432 3.533 30 20 CHED CC(=NNc1cnccn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788424249 FLARJVPKAHDAPX-VHSXEESVSA-N 292.795 3.783 30 20 CHED Cc1cccnc1NN=Cc1cccc(C(F)(F)F)c1 790185627 IEBYOCIZFLUQQT-UHFFFAOYSA-N 279.265 3.855 30 20 CHED CC(=NNc1ncccc1C)c1ccc(Cl)cc1 790185645 KFXFNELIBYSRJQ-UHFFFAOYSA-N 259.740 3.880 30 20 CHED Cc1cccnc1NN=Cc1cccn1Cc1cccs1 790191113 RTUBEJNXBOTHHO-UHFFFAOYSA-N 296.399 3.747 30 20 CHED Cc1cccnc1NN=C1CC(c2cccc(F)c2)C1 790191790 YBCFYIOCMYPLMU-UHFFFAOYSA-N 269.323 3.875 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1c1ccc(C)cc1 791069122 HPVJLAOYNLUOQW-IRXDYDNUSA-N 284.403 3.643 30 20 CHED FC(F)(F)c1ccc(C=NNc2cccc(Cl)n2)[nH]1 793174087 IDJTVHWSECDUHZ-UHFFFAOYSA-N 288.660 3.528 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc(OC(F)F)cc1 794546120 QSDUBNBSTMNWQR-UHFFFAOYSA-N 296.239 3.554 30 20 CHED CC1(C)C(=NNc2ncccc2F)C[C@@H]1Oc1ccccc1 794984190 JFGWQFVGJFKDPM-HNNXBMFYSA-N 299.349 3.866 30 20 CHED C#CCCN1CC[C@H](Sc2cccc(Cl)c2)C1 795570411 CHZSCQPFFXBYPD-AWEZNQCLSA-N 265.809 3.530 30 20 CHED C=CCN(CC[C@@H](O)c1ccccc1)Cc1cccs1 795848425 KUFYBPXMRLZANN-QGZVFWFLSA-N 287.428 3.860 30 20 CHED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C1CCC1 796748389 RXQVAURMZKUYGP-CJNGLKHVSA-N 271.360 3.806 30 20 CHED CSc1ccc(CC/N=C/c2ccccc2O)cc1 797784743 HBAVCBMUXNEDOR-SFQUDFHCSA-N 271.385 3.776 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)C(C)C 798556430 JQFWCNFPNNKTBE-SWLSCSKDSA-N 292.810 3.700 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(OC(F)F)c(F)c2)C1 799721401 FDGNHOXGPGBLGF-BDAKNGLRSA-N 270.254 3.531 30 20 CHED CCCCCCCS(=O)(=O)N(C)[C@@H](C)c1ccccc1 799746416 KMGAWORMANDQLN-HNNXBMFYSA-N 297.464 3.980 30 20 CHED CCOCc1cccc(Nc2nc(Cl)c(C#N)s2)c1 804410366 YALMCFYYYUFLCX-UHFFFAOYSA-N 293.779 3.948 30 20 CHED COc1ccc(Cl)c(COC(=O)CCCCCC#N)c1 805695177 LWIHGBKYNJYUJB-UHFFFAOYSA-N 295.766 3.866 30 20 CHED C=CCCCCCCNC(=O)N1C[C@H]2CCC[C@@H](C2)C1 806004317 ZKCRRHRYYPVNLI-HOTGVXAUSA-N 278.440 3.955 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2oc(C(C)C)nc2c1 806280042 IJIKDOLMLJTWGX-GFCCVEGCSA-N 299.374 3.875 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(OC(C)C)cc1Cl 806447088 SGONBNZOZLWQKB-NSHDSACASA-N 294.782 3.661 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1cc(C#N)cs1)C2=O 809156907 OWXGDIQXUYAVFO-YHYXMXQVSA-N 299.326 3.590 30 20 CHED C#C[C@H](NCc1cc(C)ccc1O)c1ccc(Cl)cc1 811516509 NWKSASAQJGFFTQ-INIZCTEOSA-N 285.774 3.818 30 20 CHED CCc1ccc(C=NN[C@H](C)COc2ccccc2)s1 811666395 BZHCAQIJXOTXFO-CYBMUJFWSA-N 288.416 3.702 30 20 CHED CC(CCc1ccc(F)cc1)=NOC/C=C/Cl 811670942 JBDZCMFYFWRPOR-JHAGUXJCSA-N 255.720 3.903 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 811685607 XKNDGXZVVUNWJF-BQYQJAHWSA-N 296.257 3.502 30 20 CHED Cc1nn(-c2ccc(Cl)cc2)cc1C=NOC1CCC1 812235700 OQSXQMOOAKCKMJ-UHFFFAOYSA-N 289.766 3.737 30 20 CHED C#CCON=C(C)c1ccc2c(c1)Cc1ccccc1-2 812236618 VBDGXERFQMPNPR-UHFFFAOYSA-N 261.324 3.632 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(F)c(F)c2)c(C(F)F)n1 812241078 BUTRWNDUFIHFLK-HYXAFXHYSA-N 298.239 3.532 30 20 CHED COc1cccc(O)c1C=Nc1cccc(C)c1C 812387212 JAVPQMUYRCXDJL-UHFFFAOYSA-N 255.317 3.768 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCCc3sccc32)c1 814694561 PIMLFPPVCQCBPI-UHFFFAOYSA-N 287.344 3.809 30 20 CHED Cc1cc(NN=C2CCCC23CCCC3)nc(C)n1 814807302 OVCLKPNOJQPLIS-UHFFFAOYSA-N 258.369 3.606 30 20 CHED Fc1ccc(NN=C2CC(c3cc(F)cc(F)c3)C2)nc1 814842553 LHCCKZQWMJBBCE-UHFFFAOYSA-N 291.276 3.844 30 20 CHED COCC(=NNc1cc(C)ccn1)c1cccc(Cl)c1 814867767 NVPAXRROZAAOEM-UHFFFAOYSA-N 289.766 3.506 30 20 CHED CCCC(=NN[C@H](C)COc1ccccc1)c1cccnc1 814934712 YKJWXXGZXOPDAU-OAHLLOKOSA-N 297.402 3.643 30 20 CHED CC(C)CCC(=NNc1nc(-c2cccnc2)no1)C1CC1 814948457 OPKZMJHZEUGUGT-UHFFFAOYSA-N 299.378 3.746 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@@H](C(C)C)c2ccccc21 816507393 GBZSZAOAGFCWAE-ZDUSSCGKSA-N 279.330 3.984 30 20 CHED ClC1(Cl)C[C@@H]1CCON=Cc1cccs1 818074806 YPBVSMHWGPACSA-QMMMGPOBSA-N 264.177 3.683 30 20 CHED CC(=NNc1ncncc1Cl)[C@H]1CCCC[C@@H]1C 834972235 KNCCVISUGYGFAB-ONGXEEELSA-N 266.776 3.744 30 20 CHED COC(=O)c1cc(NN=C2CCC[C@H]2CCF)ccc1F 835010757 AGLFCIPPHYHKLF-JTQLQIEISA-N 296.317 3.540 30 20 CHED C=CC(C)(C)C(=O)Oc1ccccc1OCC(F)(F)F 835134986 YRQLBHSHBYSHAE-UHFFFAOYSA-N 288.265 3.745 30 20 CHED C#Cc1ccc([C@H](OC(=O)[C@@H](C)CC)C(F)(F)F)cc1 836081099 QCLKWKDYTLKLGK-GWCFXTLKSA-N 284.277 3.861 30 20 CHED N#Cc1ccc(NC(=O)N2CCCCCCCC2)cc1F 836626889 HHXWMWYPLATXMW-UHFFFAOYSA-N 289.354 3.885 30 20 CHED CC(C)(C)C#CC(=O)N1CC(C)(C)[C@H]1c1cccs1 837654712 MROWPZJOLCWVPQ-CQSZACIVSA-N 275.417 3.707 30 20 CHED CCCCC[C@H](C)CC(=O)NCC(C)(C)CC#N 837888076 BXFZEGIEGUEXCB-ZDUSSCGKSA-N 252.402 3.649 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@]1(C)CC=CCC1 838181721 BYDIPGZHUBJNQP-INIZCTEOSA-N 263.381 3.996 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)OCCCCC#N)C1(C)C 838440381 XRFXPFKFRIJCKP-WFASDCNBSA-N 251.370 3.686 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc2ccc(Cl)cc2n1 839036666 GIAGWRZAKRTZND-LLVKDONJSA-N 287.746 3.847 30 20 CHED C#CCC[C@H](C)OC(=O)c1cnn([C@@H](C)CC)c1C1CC1 839038776 ZDWUDXWHGALATG-STQMWFEESA-N 288.391 3.690 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1ccc2cnccc2n1 840597049 GEBPAIXJSNDBKA-GFCCVEGCSA-N 270.332 3.531 30 20 CHED CCc1oc2ccccc2c1C=NOC[C@@H]1C[C@H]2CC[C@H]1O2 842021771 WGMYPFOIGGQOLQ-OGHNNQOOSA-N 299.370 3.913 30 20 CHED Cc1cc(C#N)ccc1CSCCC1CCOCC1 842183510 VYSBHJNWPXWRBG-UHFFFAOYSA-N 275.417 3.917 30 20 CHED C#C[C@H](OC(=O)c1csc(C2CC2)n1)c1ccccc1 842363837 BJNKFXWUKFTOIE-AWEZNQCLSA-N 283.352 3.552 30 20 CHED C=C[C@H](C)ONC(=O)C1(c2cccs2)CCCCC1 846546262 UKBUARFZTIGHNF-LBPRGKRZSA-N 279.405 3.572 30 20 CHED Cc1cccc(CCCNc2ccc(C#N)cc2C)n1 846748824 JPMIMMAAWQPUPX-UHFFFAOYSA-N 265.360 3.615 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C[C@@H](C)C2CC2)cc1 847041848 DDPWGHBBTYTGMX-CXAGYDPISA-N 284.403 3.708 30 20 CHED CC/C(=C/C(=O)N(C)[C@@H](C#N)CC)c1cccc(Cl)c1 847167976 KIWFJOROBACXEU-KUGGDMIFSA-N 290.794 3.894 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(C(F)F)nc1)C(C)(C)C 847682583 IEEHWROHKHTHSK-GFCCVEGCSA-N 281.302 3.614 30 20 CHED C=CCCCCCN[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 848561285 WIGBGRXONGXYPX-CQSZACIVSA-N 296.455 3.578 30 20 CHED CCC[C@H](C(=O)OC[C@H](C)C#N)c1ccc(Cl)cc1 850900666 GCPVVWARAXSJMI-RISCZKNCSA-N 279.767 3.927 30 20 CHED Cc1nc(CCCC(=O)O[C@H](C)CC(C)(C)C#N)cs1 851210761 XYEQBUUVQXGRMF-LLVKDONJSA-N 294.420 3.646 30 20 CHED CC(CC(C)(C)C#N)=NNC(=S)Nc1ccc(C)cc1 853264058 NXJCVLQHGIQVTJ-UHFFFAOYSA-N 288.420 3.597 30 20 CHED N#Cc1ccc(CCNc2cc(Cl)nc(C3CC3)n2)cc1 853758382 DIPILZPZJZHWRI-UHFFFAOYSA-N 298.777 3.534 30 20 CHED C#CCCOC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 858905515 BKSGCINJPGKBEI-HNNXBMFYSA-N 296.370 3.507 30 20 CHED Cc1ccc(/C=C2\CCc3scnc3C2=O)c(C)c1 863197307 OKIVJRBIHUNHCP-MDWZMJQESA-N 269.369 3.972 30 20 CHED Cc1ncc([C@H](C)Nc2nc(Cl)c(C#N)s2)s1 866055785 HBESAHPQPSUWKY-YFKPBYRVSA-N 284.797 3.606 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1(C)CC(F)(F)C1 875799460 NAMRPALQIKGLDC-NSHDSACASA-N 292.329 3.513 30 20 CHED C[C@@H](CCC#N)CNc1ccc([C@@H](O)C(F)(F)F)cc1 877667619 QBKVDCIUGUOZON-GXFFZTMASA-N 286.297 3.634 30 20 CHED C=CC(C)(C)CC(=O)NCCc1c(C)[nH]c2ccccc12 878644158 TYAUEUGIAATTHZ-UHFFFAOYSA-N 284.403 3.737 30 20 CHED C=CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cccn1C 879055956 NQVRAKKUGHMAJY-OAHLLOKOSA-N 274.408 3.681 30 20 CHED CC(C)n1cc(Cl)c(NCc2cc(C#N)cs2)n1 886366903 ANFHPQVSPAFVOU-UHFFFAOYSA-N 280.784 3.663 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(-c2ccon2)c1 887103378 WTAAHCLUVFJZCO-GFCCVEGCSA-N 270.332 3.882 30 20 CHED CSc1ccc(CN(CCC#N)CCC(C)C)o1 894003633 ONRSHOZRFKJDTO-UHFFFAOYSA-N 266.410 3.763 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cn(C)nc2C2CC2)c1 899354873 LLGCTCSRUANHCQ-VOTSOKGWSA-N 280.371 3.810 30 20 CHED C=CCCC[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)O 900067124 DHWJWQNMSSWARB-MRXNPFEDSA-N 299.370 3.846 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1ccc(Cl)nc1 901194522 LISBXJKNZJAALE-UHFFFAOYSA-N 291.786 3.575 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc(-c3cnco3)cc2)C1 906525371 MKBYJERLGNORNS-ZBFHGGJFSA-N 281.359 3.514 30 20 CHED C[C@H](Cc1ccccc1Cl)/N=C/c1cccc(O)c1O 915980027 WRQOFJNTMLBMTO-VDCVXVNISA-N 289.762 3.801 30 20 CHED CCOc1cccc(C/N=C/c2cccc(OCC)c2O)c1 915982071 NZAWVGZEJRUUNC-CPNJWEJPSA-N 299.370 3.809 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(C)c(C)c1 916240948 XWNYFUIBLDQJHB-UHFFFAOYSA-N 282.343 3.838 30 20 CHED COc1cc(C(C)=NNc2cccc(C)c2)ccc1O 916256188 OWDQIDLKBQLCLO-UHFFFAOYSA-N 270.332 3.545 30 20 CHED CC(=NNc1ccccn1)c1ccc2ccccc2c1O 916276249 SGVCTCLAUMORLY-UHFFFAOYSA-N 277.327 3.777 30 20 CHED CCCOc1cc(C=NNCc2ccccc2)ccc1OC 916343754 FJUGYTZVSAERPC-UHFFFAOYSA-N 298.386 3.608 30 20 CHED C=C(C)COC(=O)CCC(=O)c1ccc(CCC)cc1 916587645 RTIXXCLPXOABCS-UHFFFAOYSA-N 274.360 3.721 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\Cc1ccco1 920943572 PTIRCJBULUHWGJ-UUASQNMZSA-N 270.115 3.911 30 20 CHED Cc1cc(C)c(C#N)c(N2Cc3ccccc3[C@@H](C)C2)n1 920961601 VFNSALNMYMCEDH-ZDUSSCGKSA-N 277.371 3.694 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H]2CC=CCC2)c1O 920991614 YDNKHWAVVZQSDW-MQHRVFIMSA-N 294.738 3.729 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1N[C@@H](C)CC(C)(C)C#N 926653283 YFAMGVPVEWMJQF-CWRNSKLLSA-N 256.393 3.769 30 20 CHED C#CCN(C(=O)Nc1ccccc1N1CCCCC1)C(C)C 929197077 JNYPNWNQKYWXAQ-UHFFFAOYSA-N 299.418 3.552 30 20 CHED COc1cc(C#N)ccc1C(=O)N(C1CCCCC1)C1CC1 930527784 DMTMVYMPLATVSE-UHFFFAOYSA-N 298.386 3.504 30 20 CHED N#C[C@H]1CCCN(Cc2c(Cl)ccc3cccnc23)C1 932158568 LHKCMFCNJXFPPB-GFCCVEGCSA-N 285.778 3.624 30 20 CHED C=C1CCN(C(=O)Nc2ccc(Cl)c(N(C)C)c2)CC1 932730210 NPKLVYZPFAWLRF-UHFFFAOYSA-N 293.798 3.590 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(O)cc1SC 935632861 OWCOYOWZLRWWSL-SNVBAGLBSA-N 265.378 3.655 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c[nH]nc1-c1ccccc1F 935706350 QZEDUYSHUZYJDL-LLVKDONJSA-N 287.338 3.757 30 20 CHED Cc1ccc(CC2CCN(CCCCC#N)CC2)cc1 1116535280 XWZJSXPVQBPMEP-UHFFFAOYSA-N 270.420 3.943 30 20 CHED CCCCCCCCSCc1ncnn1CC 1116830606 QGXDYWSPWNLKEN-UHFFFAOYSA-N 255.431 3.892 30 20 CHED CCN(Cc1ccccc1F)C(=O)CCCCCC#N 1117526747 SLRULAHDBTXLLU-UHFFFAOYSA-N 276.355 3.648 30 20 CHED C=CCN(CCc1ccco1)Cc1coc(C(C)(C)C)n1 1119775543 BQEIRKUONZKUFN-UHFFFAOYSA-N 288.391 3.796 30 20 CHED CCCC[C@H](C(=O)[C@@H](C#N)c1nccn1CC)C(C)C 1123336842 LWQKBPZNASHTHY-UONOGXRCSA-N 275.396 3.542 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1cc(C)c(C#N)cn1)CCC2 1162862047 RIXUQGXCXPSKFD-KRWDZBQOSA-N 293.370 3.760 30 20 CHED C[C@@H](Cc1cccs1)N(C)c1ncc(C#N)cc1Cl 1185640878 WYIWAAVKUKGSES-JTQLQIEISA-N 291.807 3.736 30 20 CHED CCC[C@]1(C)CCCN(CCOc2ccccc2C#N)C1 1191257775 KWCAXJYPCQCPMD-GOSISDBHSA-N 286.419 3.839 30 20 CHED C[C@]1(C(=O)Oc2ccc(C#N)cc2)CCc2ccccc2C1 1252301809 TYFCKLZGKAHTSH-IBGZPJMESA-N 291.350 3.659 30 20 CHED C[C@@H]1CN(c2cccc(CC#N)n2)CC[C@@H]1c1ccccc1 1255096316 SPHCTAGZSHMMIY-QAPCUYQASA-N 291.398 3.778 30 20 CHED Cc1cc([C@H](C)NC(=O)CCCCCC#N)c(C)o1 1259086371 CACOVFRFHVLSOY-LBPRGKRZSA-N 262.353 3.548 30 20 CHED N#CCCCCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] 1262059958 MZZBKCVMFOHMSM-UHFFFAOYSA-N 287.241 3.719 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1cc(C)c(C#N)cn1 1277610664 RSJOCSAIWUMWOJ-CYBMUJFWSA-N 273.380 3.663 30 20 CHED CCCOc1ccnc(Sc2ccc(C#N)c(C)c2)n1 1307149085 XELOZOGUAFSBLY-UHFFFAOYSA-N 285.372 3.597 30 20 CHED CCN(Cc1ccccc1F)C(=O)c1ccc(CC#N)cc1 1319630016 GIHCTOZROPUPBR-UHFFFAOYSA-N 296.345 3.554 30 20 CHED N#CCc1cccc(N[C@H]2CCCOc3c(F)cccc32)n1 1320359010 CMNZOVISYMNSJZ-HNNXBMFYSA-N 297.333 3.613 30 20 CHED C=CCCCCCCNCc1ccc([S@](C)=O)cc1 1323447642 WQNNBSSGHOOUGJ-IBGZPJMESA-N 279.449 3.650 30 20 CHED Cc1cc(NCC2(CC#N)CC2)nc2ccccc12 1325052666 XEKKCMYLFGQJJP-UHFFFAOYSA-N 251.333 3.649 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](c1ccccc1C)C1CC1 1327598252 BDHRCBVEYWKAOS-GOSISDBHSA-N 296.414 3.501 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1CC1(C#N)CC1 1336267162 BBUFEOSMVTXVNK-ZBFHGGJFSA-N 254.377 3.558 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(Cl)cn2)no1 1338362042 MEOJFTMMVDNAFA-ZDUSSCGKSA-N 263.728 3.639 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cccc(Cl)c2F)C1 1343923004 MFAJVXCAPTUZNJ-ZYHUDNBSSA-N 266.747 3.651 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2cccc(F)n2)C1(C)C 1344002937 DUMWGJMAXSMXRF-YWPYICTPSA-N 286.350 3.635 30 20 CHED CCC(CC)CN(CC)C(=O)c1csc(C#N)c1 1344070602 UTFRILTYYPOQMN-UHFFFAOYSA-N 264.394 3.518 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(C#N)c2C)c1 1344637033 IDLDLZFRCVNLFC-UHFFFAOYSA-N 288.350 3.515 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2ncccc2C)CCCC1 1349367726 ITADVGPPICZLOQ-CQSZACIVSA-N 287.407 3.639 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C[C@H](C)CCC=C(C)C 1349702903 SPTPYZNLAKMYIE-HUUCEWRRSA-N 287.407 3.852 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 1435040299 DFZOQCPOQKEXOC-MLGOLLRUSA-N 288.366 3.786 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2cc(C)cc(C#N)c2)cc1 1436715509 RLTVTTUUMQAMJO-HNNXBMFYSA-N 292.382 3.992 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 1462167362 ALOLFIPJVQKSJL-SWLSCSKDSA-N 274.339 3.852 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)CCC2CCCCC2)n1 1472693947 KARZRPVVKJZNDP-LBPRGKRZSA-N 272.396 3.818 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NN[C@@H](C)C(F)F 1552762468 HCSRKAMABZUCJM-NSHDSACASA-N 279.334 3.720 30 20 CHED CCc1nc(C#N)cc(NC[C@H]2CCCC(C)(C)C2)n1 1559213247 KVZQMPFLBSNQPO-LBPRGKRZSA-N 272.396 3.539 30 20 CHED CC[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@H]1C 1585515925 JGNMKBDSXXBOBG-ZMSDIMECSA-N 284.403 3.721 30 20 CHED CCCCCCCCCCN1C[C@@H](F)C[C@H]1C(=O)O 1595704618 DGKLMGNJPXJLQA-KBPBESRZSA-N 273.392 3.624 30 20 CHED Cc1cc(NC(=O)C2C(C)(C)C2(C)C)c(C#N)cc1N(C)C 1596188952 ZTZXXMLJCCHNEX-UHFFFAOYSA-N 299.418 3.553 30 20 CHED C=C(CCC(=O)O)C(=O)Nc1ccccc1-c1ccccc1 1602787673 PHCLIADCOOSKBS-UHFFFAOYSA-N 295.338 3.713 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc2cc(C(=O)O)oc2c1 1609264394 NGWDOPOKMXXSKQ-MRXNPFEDSA-N 288.299 3.639 30 20 CHED C[C@@H](Nc1nc2ccccc2nc1F)c1cccc(C#N)c1 1612894229 OAPFNIQQCUSETC-LLVKDONJSA-N 292.317 3.814 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N(CC)[C@H](C#N)CC 1617776094 LYCHHIKYTGGLPI-ZFWWWQNUSA-N 290.432 3.708 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(F)cc2)ccc1C#N 1621092887 WGVMXTKNHXFQLY-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C[C@H](CNC1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1621468626 PVGDKUUOROQYSW-OAHLLOKOSA-N 299.462 3.799 30 20 CHED CC[C@@H](C)Oc1cccc(N[C@@H](C)CC(C)(C)C#N)n1 1621490075 SGOVRFPOIIWZAH-QWHCGFSZSA-N 275.396 3.999 30 20 CHED CC(C)(C)CN(CCC#N)c1cc(-c2ccccc2)ncn1 1651708026 LLNQZYCHCKSNDO-UHFFFAOYSA-N 294.402 3.910 30 20 CHED CC[C@@H](CNc1ncc(C#N)cc1F)Oc1cccc(C)c1 1654988535 WHHBAANNGNBAMV-AWEZNQCLSA-N 299.349 3.670 30 20 CHED N#Cc1nc(NCc2ccc3occc3c2)ccc1Cl 1655651996 GWEVUSRJTKCWEU-UHFFFAOYSA-N 283.718 3.965 30 20 CHED COc1ccc(CNc2cccc(C#N)c2C)c(C)c1 1657458021 APAILNUWXVBSFD-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C[C@H](CC1CCCCC1)CN1CC[C@@](F)(C#N)C1 1659459290 WFTVIWVWUHBSEG-UKRRQHHQSA-N 252.377 3.530 30 20 CHED O=C(O)Cc1ccc(NN=C/C=C\c2ccc(F)cc2)cc1 1776084874 ULQFWYXPUKXDIY-PCKQYGQHSA-N 298.317 3.564 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2ccc(Cl)s2)C1 1776155508 SXHFHTHKPHTENN-CQSZACIVSA-N 299.823 3.644 30 20 CHED COc1ccc(/C=C/C(=O)C2CCCCC2)cc1O 7905599 PLZMPXMOSSDSQA-VQHVLOKHSA-N 260.333 3.563 30 20 CHED CN(CCCCC#N)CCCOc1ccc(Cl)cc1 102397658 FWXCMRFAQWMLDW-UHFFFAOYSA-N 280.799 3.735 30 20 CHED N#Cc1cccc(C(=O)N[C@H]2CCc3c(Cl)cccc32)c1 55711984 DXTZPMJPZFEMJA-INIZCTEOSA-N 296.757 3.629 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)Cc1cccs1 58452857 ICQPDXTXSAHRSU-GFCCVEGCSA-N 299.399 3.681 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2sccc2C#N)cc1 52030235 HVVDGZFGLABUGA-LBPRGKRZSA-N 284.384 3.761 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H](C)c1ccco1 178584867 KUMUGRXMHVAFFB-LBPRGKRZSA-N 283.331 3.685 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CCC1 464822759 NXTZMZOCGLSPAP-IAGOWNOFSA-N 254.377 3.558 30 20 CHED C=C(C)CSCC(=O)N[C@H](C)c1ccc(C)c(C)c1 177869874 WHXXFWFXWPBFLS-CQSZACIVSA-N 277.433 3.790 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1ccsc1 61363493 UCTPNXFPSPPDTJ-JTQLQIEISA-N 260.337 3.610 30 20 CHED C=CC[C@H](C)NC(=O)c1nc(-c2ccccc2)oc1C1CC1 116860458 RJNWGRRQKAVGJJ-LBPRGKRZSA-N 296.370 3.913 30 20 CHED C[C@H](Cc1nc2ccccc2s1)Nc1cccc(C#N)n1 301814873 CVDMINNSVVBNHI-LLVKDONJSA-N 294.383 3.606 30 20 CHED CC1(C)CC[C@@H](Nc2ccc(C#N)nn2)c2ccccc21 302008268 VDZMVPMEODQERK-OAHLLOKOSA-N 278.359 3.573 30 20 CHED C=CCOc1cccc(NC(=O)N(C)C[C@@H](C)CC)c1 111736654 IGOGYHARJGQSDO-ZDUSSCGKSA-N 276.380 3.761 30 20 CHED CCCC1(CNC(=O)[C@H](CC#N)c2ccccc2)CCC1 1356174349 YLZQGPDTOKXOCP-MRXNPFEDSA-N 284.403 3.770 30 20 CHED C=CCCCS[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 177851928 WMYUSSXGGDBIMF-ZDUSSCGKSA-N 295.423 3.872 30 20 CHED C=C(C)CN(C)c1nnc(Cc2ccc(Cl)cc2)s1 302396426 DZDZPEGVBMATMC-UHFFFAOYSA-N 293.823 3.795 30 20 CHED Cc1cc(CN(C)Cc2ccccc2F)ccc1C#N 362954168 HSJNVRBEAQMDLD-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C=C(C)CNC(=O)c1sc2ccccc2c1Cl 22325806 HQCALRNZRLAURX-UHFFFAOYSA-N 265.765 3.861 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H](C)[C@H](C)CC 302944151 BSOANSZNRLJZEE-HZPDHXFCSA-N 288.435 3.861 30 20 CHED CCC[C@H]1CCCCN1c1snc(Cl)c1C#N 302133604 LKNNBXDCVCTYNV-VIFPVBQESA-N 269.801 3.827 30 20 CHED C=CCN(CC=C)C(=O)c1cc(SC)ccc1C 120578507 WVKBHBVMWSSTJD-UHFFFAOYSA-N 261.390 3.531 30 20 CHED CCN(Cc1cnn(C(C)C)c1)[C@H](C)c1ccc(C#N)cc1 179463925 DCJBVMKNSZDVNG-OAHLLOKOSA-N 296.418 3.919 30 20 CHED CCC[C@H](CC)NC(=O)c1cccc(SCC#N)c1 175699681 ITNXFKGMYOCRAX-ZDUSSCGKSA-N 276.405 3.611 30 20 CHED C=C(C)CCOC(=O)c1csc(-c2cccs2)n1 174796621 MFTGAOAVRWSBNI-UHFFFAOYSA-N 279.386 3.995 30 20 CHED CN(C)c1ccc(CNc2c(Cl)cccc2C#N)cc1 301373868 UVTYTVKVHQYLSB-UHFFFAOYSA-N 285.778 3.890 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccccc2C#N)c1 121136980 ACZRXEPDVWHPSH-ZHACJKMWSA-N 277.323 3.853 30 20 CHED N#Cc1cc(Cl)ccc1Cn1ccc(=O)c2ccccc21 185371374 IAQLWWGLFWQECR-UHFFFAOYSA-N 294.741 3.575 30 20 CHED Cc1cc2ncn(Cc3cccc(C#N)c3F)c2cc1C 218809996 AXSGGIUSGQGKCG-UHFFFAOYSA-N 279.318 3.712 30 20 CHED Cc1ccccc1S[C@H](C)C(=O)Nc1ccccc1C#N 37665744 PQXZGRVSCLOFBH-CYBMUJFWSA-N 296.395 3.986 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCc1cccc(C)c1 123504120 CDAUTSDLZJCKBE-UHFFFAOYSA-N 294.398 3.893 30 20 CHED C=CCC[C@H](C(=O)N(C)Cc1ccco1)c1ccccc1 186176632 QANMCRLRVJSFHN-KRWDZBQOSA-N 283.371 3.988 30 20 CHED CC(C)(C#N)CCC[S@](=O)c1cc(Cl)ccc1F 505813926 DIZYHBPMDRHJKY-SFHVURJKSA-N 287.787 3.917 30 20 CHED N#Cc1ccc(C(=O)OCCc2ccsc2)cc1Cl 123305361 LGEAKFDAOIJZLW-UHFFFAOYSA-N 291.759 3.673 30 20 CHED C[C@@H](NCCCCC#N)c1nc(C(C)(C)C)cs1 184466047 IAVXZYKGGNUTGQ-LLVKDONJSA-N 265.426 3.785 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(C)[C@@H](C#N)CCC 410833358 GNKIDGAXFQLIQA-UONOGXRCSA-N 252.402 3.599 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 416095896 HEUXKKJGUMNEPW-RDJZCZTQSA-N 296.414 3.878 30 20 CHED Cc1ncc(CNc2ccc(Cl)c(C#N)c2)s1 37797290 FBTODPCCZACVOM-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@H](CC)CC#N)cc1 183966953 DJBQRKCKZJBEBP-XJKSGUPXSA-N 272.392 3.551 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(O[C@H](C)CC)cc1 180476625 DGVKPBGJCTXSOM-CYBMUJFWSA-N 261.365 3.512 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(CC(C)C)c1CC 182650497 WBAMAYNDXZNSJR-CQSZACIVSA-N 291.439 3.576 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416692509 TVPFQGLDUNFGMQ-GDZNZVCISA-N 299.418 3.669 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCc1ccc(F)cc1 31054730 KEEMTHDWENGKKA-UHFFFAOYSA-N 298.361 3.724 30 20 CHED CSCCCCCC/N=C(\N)Nc1ccccc1C 181488452 SNHRNZYXOCLRIR-UHFFFAOYSA-N 279.453 3.645 30 20 CHED CSc1ccccc1C[C@H](C)NCC1(C#N)CCC1 418135670 BIFATYWLEHZMMZ-ZDUSSCGKSA-N 274.433 3.623 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1cccc(Cl)c1 189847787 SOSCWRXXVQWBQG-OAHLLOKOSA-N 265.784 3.901 30 20 CHED C/C(=N/OCc1nc(C2CC2)no1)c1cc2ccccc2o1 123240030 BIYCXUNNKAZALO-ZDLGFXPLSA-N 297.314 3.634 30 20 CHED C=CCOc1ccc(C(=O)NC2(C)CCC(C)CC2)cc1 504682085 GMAZEOHYUWWSMN-UHFFFAOYSA-N 287.403 3.950 30 20 CHED CC#CCCCC(=O)N(C)Cc1cc2ccccc2o1 185754164 HMOMBXNXNLNQIY-UHFFFAOYSA-N 269.344 3.585 30 20 CHED C=C(C)CN(C)C(=O)c1sccc1-n1c(C)ccc1C 183055969 BAUBYXPWDRLJDJ-UHFFFAOYSA-N 288.416 3.804 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)CCC1CCCC1 410998210 KNHRNSOHJJNPEU-UHFFFAOYSA-N 282.387 3.808 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1cccc(C#N)c1 130260331 XLUKSXQUXFCXKS-KRWDZBQOSA-N 265.360 3.536 30 20 CHED N#C[C@@H](C(=O)CCC1CCCC1)c1nc2ccccc2o1 41545752 USYWHJRPHZBFLG-ZDUSSCGKSA-N 282.343 3.974 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2CCO[C@H](CCC)C2)c1 180180254 NECVYMAKYXABTB-SJLPKXTDSA-N 299.414 3.616 30 20 CHED C=CCOCCSC[C@@H](OC)c1ccc(Cl)cc1 419483805 BQXDRCXCDZIJPT-CQSZACIVSA-N 286.824 3.963 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1CCC[C@H](C2CC2)C1 413305219 UPUPBZYYQZNDIS-NSHDSACASA-N 295.308 3.598 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc(F)c2ccccc2c1 410838331 XNCRXOMINRTODC-CQSZACIVSA-N 284.334 3.743 30 20 CHED OC1=N[C@@H](/C(O)=N/[C@H](c2cccs2)C2CC2)CCC1 328818599 QDXOFQCCNQOXAU-MFKMUULPSA-N 278.377 3.665 30 20 CHED CC(C)CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 47649300 PRDFYMLCRIVTEQ-KBPBESRZSA-N 287.407 3.743 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H](CC(F)(F)F)C1 420955592 WPRFDRCGUASSDZ-GFCCVEGCSA-N 276.346 3.981 30 20 CHED C=C(C)CN1CCC(c2nc3c(s2)CCCC3)CC1 425514095 PKOYRLJSSKCPBD-UHFFFAOYSA-N 276.449 3.777 30 20 CHED CC[C@H](C#N)OC(=O)c1csc(-c2ccccc2C)n1 84697881 PXTZDUDDFZIYIK-LLVKDONJSA-N 286.356 3.578 30 20 CHED C[C@@H](CCN1CCC(CC#N)CC1)c1ccccc1 515412179 RQXRWQZWBXEVHM-HNNXBMFYSA-N 256.393 3.806 30 20 CHED C=CCn1c(C)cc(C(=O)COc2cccc(OC)c2)c1C 195550089 XZEFMRVXYPXORN-UHFFFAOYSA-N 299.370 3.561 30 20 CHED Cc1cccc2[nH]cc(CC(=O)Nc3ccc(C#N)cc3)c12 82338683 NGRDDLIHFMCZBQ-UHFFFAOYSA-N 289.338 3.529 30 20 CHED C[C@@H](NC[C@@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 192930228 ALDOQSNPYACBOX-BEFAXECRSA-N 293.414 3.512 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 331625306 YJPHVCRCMVWEBH-UXLLHSPISA-N 297.402 3.534 30 20 CHED C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(C#N)cs1 427223760 PAJJGXOOEXFIHX-JYRVWZFOSA-N 296.395 3.795 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CC1 332318276 OIZFMCHTEHCMNT-WCQYABFASA-N 290.794 3.910 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C2CC2)C1 335995995 PKWDQMUMNYITGX-OAHLLOKOSA-N 283.375 3.521 30 20 CHED Cc1ccc(/C(O)=N/[C@@]2(C)CC=CCC2)cc1[N+](=O)[O-] 331310803 BVFZZBOOESZGEP-HNNXBMFYSA-N 274.320 3.707 30 20 CHED N#Cc1ccc(SC[C@@H]2CCC3(CCCC3)O2)nc1 335240581 XCURQOBSRIQXOH-ZDUSSCGKSA-N 274.389 3.537 30 20 CHED CC[C@H](C)Oc1cccc(NCc2cc(C#N)n(C)c2)c1 232315131 TXSDLEZSDBTFET-ZDUSSCGKSA-N 283.375 3.686 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCC[C@@H](C(C)(C)C)C1 513146602 DYFJDOXDDZUOQR-CQSZACIVSA-N 293.455 3.784 30 20 CHED N#Cc1ccc(C(=O)N2CCCC23CCCCC3)s1 334276307 CPHOUOXLGCBKJN-UHFFFAOYSA-N 274.389 3.559 30 20 CHED CCC[C@H]1CCCCN1C(=O)c1cccc(C#N)c1C 337846623 XAVLGHIYSWNIRE-HNNXBMFYSA-N 270.376 3.662 30 20 CHED CCc1cccc(C)c1NC(=O)c1ccc(C#N)s1 335682011 SJOGCRQXIMDNAL-UHFFFAOYSA-N 270.357 3.743 30 20 CHED CC(C)(C)C1=CCN(Cc2ccc(F)c(C#N)c2)CC1 535406973 SVFKPGUWOOXXAP-UHFFFAOYSA-N 272.367 3.876 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](CC)c1c(C)noc1C 432078682 QXYMSZBRKONVHX-CYBMUJFWSA-N 293.411 3.644 30 20 CHED Cc1cc(N/C(O)=N/C(C)(C)C(C)(C)O)cc(C)c1Cl 331270955 MTJRFOPROXARNO-UHFFFAOYSA-N 298.814 3.832 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(Cl)cc1C#N 435593050 ORLLQOQYMNZKLK-ABAIWWIYSA-N 276.767 3.605 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](CC1CCCC1)C(C)C 524206196 YANMYJOXZAHPNU-HIFRSBDPSA-N 251.414 3.920 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 345277332 WYIDYGQNWFIYNJ-ZJUUUORDSA-N 296.292 3.952 30 20 CHED C=CCCCCN[C@@H]1CCCOc2cc(F)ccc21 349357064 SAWXJDYMXPSHKU-OAHLLOKOSA-N 263.356 3.985 30 20 CHED CCN(C(=O)Nc1cccc(C#N)c1C)[C@@H](C)C(C)C 432262175 LMKASCVVHPGCLR-ZDUSSCGKSA-N 273.380 3.765 30 20 CHED CCO[C@H](CC(=O)Nc1ccccc1CC#N)C1=CCCC1 344404317 WRPZGZSRGMJMEX-QGZVFWFLSA-N 298.386 3.597 30 20 CHED COc1ccc(C2(CNC[C@H](C)CCC#N)CCC2)cc1 602606470 FCEQBJMLIMAFPJ-OAHLLOKOSA-N 286.419 3.646 30 20 CHED C=CCCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 605151281 LNBKNWFWCMDBMC-UHFFFAOYSA-N 275.236 3.769 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1C1CC1 527871734 SIEPEHLGXUVFCK-XZJROXQQSA-N 282.387 3.718 30 20 CHED C=CC[C@H](C)NC(=O)NCCc1ccc(C(C)(C)C)cc1 604894752 HPFNIGCEYWJJEV-AWEZNQCLSA-N 288.435 3.790 30 20 CHED CCOc1cccc(NC(=O)NCC(C)(C)CCC#N)c1 348826475 HIDZIOJRGKZTLR-UHFFFAOYSA-N 289.379 3.537 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cnn(C(C)C)c1)CC2 255081512 ROTKDSCDNNUGPT-CXUHLZMHSA-N 280.371 3.985 30 20 CHED C=CCCOCCCCC(=O)Nc1nc(C2CC2)cs1 342645804 ZQAABWDRTXLVIF-UHFFFAOYSA-N 294.420 3.722 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cc(C)c(C)c(C(=O)O)c1 439899134 VEIBBOXMHUCBFO-LLVKDONJSA-N 275.348 3.542 30 20 CHED CSCc1ccc(CNc2snc(C)c2C#N)cc1 343975739 VOFKEYJWTYXBMT-UHFFFAOYSA-N 289.429 3.798 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)C1CCCCC1 437487821 BOZUTTHKYLCHFE-ZVZYQTTQSA-N 293.451 3.690 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)CC1 343347644 WUXVGZOPDCCTQU-SJORKVTESA-N 299.414 3.627 30 20 CHED C=CCn1cccc1C(=O)N(C)Cc1cc(C)cc(C)c1 347243659 UTEXDHKOMYANSJ-UHFFFAOYSA-N 282.387 3.563 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c(C)cc(OC)c(C)c1C 345974528 WIVVZHAIVIHNDM-AWEZNQCLSA-N 291.391 3.540 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1nnn(-c2ccccc2)c1C 343511161 SUKBYJPXFXBMEZ-UKRRQHHQSA-N 284.407 3.581 30 20 CHED N#CCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 342640808 CXBVGYOHQOFRNC-GHMZBOCLSA-N 297.185 3.517 30 20 CHED C[C@@]1(CN2CCC(CC#N)CC2)C[C@H]1c1ccccc1 602598877 ZJLPEMNGGATPGW-ROUUACIJSA-N 268.404 3.806 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@H](C)C1CC1 601894187 SXSYWYJWTHRTNG-AWEZNQCLSA-N 278.440 3.810 30 20 CHED N#CCN(C(=O)C[C@@H]1CCc2ccccc21)c1ccccc1 609652096 WEPQSPRGHKEVGH-INIZCTEOSA-N 290.366 3.663 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(CC)c(CCC)s1 604880381 GSMHZURCOOGDEV-NSHDSACASA-N 265.422 3.957 30 20 CHED CC(C)[C@H]1CN(c2ccc(C#N)cn2)c2ccccc21 447682927 LHEAUNNHHAYKBY-OAHLLOKOSA-N 263.344 3.845 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1cc2ccccc2o1 255717224 RPGFPYDXIGOLQL-HJWRWDBZSA-N 280.327 3.679 30 20 CHED N#Cc1ccc(NCCCC2CCOCC2)c(Cl)c1 447811980 JBCLWGOAOWELCC-UHFFFAOYSA-N 278.783 3.830 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1cccc(F)c1 255900912 XFSRPTVFWRDIMQ-XQRVVYSFSA-N 260.239 3.567 30 20 CHED CSc1ccc(/C=C\c2ccc(C#N)cn2)cc1 255329320 JVPQJPMKYGBXHX-KXFIGUGUSA-N 252.342 3.846 30 20 CHED C=CCC1(C(=O)Nc2cccc(NC(C)=O)c2)CCCC1 449045792 IQJCFXFKEMOVKI-UHFFFAOYSA-N 286.375 3.720 30 20 CHED C=CCN(C)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 442044975 CGVCOSBEHKRARC-SRVKXCTJSA-N 291.420 3.696 30 20 CHED C=CCN(CCC#N)C(=O)c1cscc1-c1ccccc1 359448658 XYIOWJBJLVTTQU-UHFFFAOYSA-N 296.395 3.957 30 20 CHED C[C@H](CCC#N)CN(C)Cc1nc2ccccc2s1 602433640 AAHVDVOPDZUZIJ-GFCCVEGCSA-N 273.405 3.668 30 20 CHED C[C@H](c1ccccc1Cl)N1CCC(F)(C#N)CC1 352463019 HSEHYFMDERJCTM-LLVKDONJSA-N 266.747 3.729 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@](C)(CCC)C1)OCC 534421666 YLPHHZIEGZBAAF-RDJZCZTQSA-N 281.440 3.787 30 20 CHED Cc1ccc(CCN2CCCC(C)(C)[C@@H]2C#N)cc1 444723432 LAEOSTBPIXBWSH-INIZCTEOSA-N 256.393 3.552 30 20 CHED C=CC(C)(C)C(=O)N1CCC(OC2CCCCC2)CC1 448838850 XSTCOJKUEXWJRV-UHFFFAOYSA-N 279.424 3.539 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(OCCCC)cc1C 267306632 LPJDQGIAMUGSCD-UHFFFAOYSA-N 288.391 3.661 30 20 CHED C[C@H]1CCC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 533322771 HQBATLHIHRXORG-YOEHRIQHSA-N 259.368 3.688 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)N[C@H](C)c1cccc(C#N)c1 611328757 BSJIBIFXOJGUNC-WOSRLPQWSA-N 285.391 3.592 30 20 CHED CCOC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C(C)C 616064549 PBLSTJBRDXUHPK-AWEZNQCLSA-N 289.423 3.724 30 20 CHED C#CCCCCNC(=O)N1CCCC[C@H]1c1ccccc1 359869312 ICQIYQFXBLGAQV-KRWDZBQOSA-N 284.403 3.727 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](C)Cn1ccnc1C 449075458 RDIAXEJIPVGRGS-LSDHHAIUSA-N 263.429 3.552 30 20 CHED CCN(CC(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 354415476 GVIQRMQBIPTHPA-MRXNPFEDSA-N 272.392 3.578 30 20 CHED CCN(CCCSCC#N)c1ccc(Cl)cc1F 440621315 CGXWWXLSCVDGMV-UHFFFAOYSA-N 286.803 3.952 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCC1(CC#N)CC1 355845685 NDPMQXMTDBGSAM-UONOGXRCSA-N 291.439 3.536 30 20 CHED C=CCCCCNC(=O)Nc1ccc(-c2cc[nH]n2)cc1 352563493 VEEBQYLVTZKZGV-UHFFFAOYSA-N 284.363 3.555 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 448621617 LRCHIXKZKNZOSK-UHFFFAOYSA-N 287.281 3.778 30 20 CHED CCCOc1ccc(CN(CCC#N)CC2CC2)cc1 538739727 WFUCEAOAHDFDCU-UHFFFAOYSA-N 272.392 3.601 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CC[C@@H](C)c1ccccc1 611002716 DQENHQZUXWYXBR-ZBFHGGJFSA-N 272.392 3.625 30 20 CHED N#Cc1cccc(CN(C2CCCCC2)C2CC2)c1F 611371075 MBOJZFGCSVJJHL-UHFFFAOYSA-N 272.367 3.994 30 20 CHED N#CCCCN1CCC(Cc2c(F)cccc2F)CC1 451963034 YGHGLYJQICBCAU-UHFFFAOYSA-N 278.346 3.523 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 450978878 GOXNPXOQFNDFAZ-KSZLIROESA-N 280.415 3.948 30 20 CHED COc1ccsc1/C=C/C(=O)c1cnn(C(C)C)c1C 276139538 CLGOZVONPRKXKO-AATRIKPKSA-N 290.388 3.739 30 20 CHED C=C(C)CCNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 454783024 YEWBNTVILMYIAP-JTQLQIEISA-N 280.334 3.619 30 20 CHED Cc1nsc(Nc2ccc3[nH]ccc3c2)c1C#N 360918113 GDLAAERABGYHIH-UHFFFAOYSA-N 254.318 3.548 30 20 CHED N#CCCCNC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 454789638 PXIASHCCNBIPOZ-SJORKVTESA-N 299.418 3.563 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 279938572 LMTPLZIXZYAPGU-GDBMZVCRSA-N 287.378 3.628 30 20 CHED N#Cc1cc(NC(=O)c2ccnc(C3CC3)c2)ccc1Cl 361115543 MGHMFDZCNMJDPP-UHFFFAOYSA-N 297.745 3.736 30 20 CHED CC[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(C#N)c1 610231551 BBYSQDYRGIJYGQ-CQSZACIVSA-N 295.386 3.975 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(SCC)cc1 362369989 JIDGBCPZZHSNAS-NEPJUHHUSA-N 278.421 3.733 30 20 CHED CCCc1nc(C)c(C(=O)Nc2cc(C)cc(C#N)c2)s1 456963537 KTEORWNPCSNVQD-UHFFFAOYSA-N 299.399 3.836 30 20 CHED CC#CCCNC(=O)c1ccc(Cl)c(C(F)(F)F)c1 542674899 XGYAIKYTCABKGU-UHFFFAOYSA-N 289.684 3.502 30 20 CHED CC[C@H](N[C@H](C)CCC#N)c1ccc(F)cc1F 278526719 DHRDMDSUYLJFBQ-YGRLFVJLSA-N 252.308 3.698 30 20 CHED N#CCc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 545548982 ZSAPHWXKQIGSNF-UHFFFAOYSA-N 293.301 3.533 30 20 CHED C=C(CNC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1)c1ccccc1 458757664 KVCKVGRBMKSJOT-QZTJIDSGSA-N 296.414 3.530 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1c(F)cccc1Cl 278616404 MYXHIGFUSVARIJ-GARJFASQSA-N 266.747 3.822 30 20 CHED C=CCC[C@@H](NCCCc1nc(C)no1)c1ccccc1 271517208 UHOFBWKHNZXWTI-MRXNPFEDSA-N 285.391 3.608 30 20 CHED N#Cc1ccc(N2CCCC[C@H]2c2ccccc2)nc1 273809720 AQGCYOLIUXAIGI-INIZCTEOSA-N 263.344 3.685 30 20 CHED C=C(CC)CN[C@@H](C)c1ncc(Br)cc1F 453383420 YRRDAYULVRRHQF-VIFPVBQESA-N 287.176 3.600 30 20 CHED CC[C@@H]1CN(C(=O)CC(C)(C)C#N)CC[C@H]1c1ccccc1 278992328 LETRUHAXEKDDNS-NVXWUHKLSA-N 298.430 3.969 30 20 CHED C=CCC1(CNC(=O)[C@H]2CC23CCSCC3)CCCC1 456506996 NOERMBOIAZLTHD-CQSZACIVSA-N 293.476 3.772 30 20 CHED C=C(C)CCNC(=O)c1c(C)[nH]c2ccc(Cl)cc12 452718753 QVZXIMFQHZVQTL-UHFFFAOYSA-N 276.767 3.826 30 20 CHED C=CCCc1nc(Cc2c(C)[nH]c3ccccc23)no1 274089417 YGIMJWFYVGUZEY-UHFFFAOYSA-N 267.332 3.569 30 20 CHED C[C@@H](c1noc(COc2ccccc2C#N)n1)C(C)(C)C 547126381 YDUSDUHMJSQAOO-NSHDSACASA-N 285.347 3.670 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 542949660 NBDQYOFIWMBDEW-GVDBMIGSSA-N 286.419 3.977 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N(CC#N)c1ccccc1 460067277 RIMXMKISNKINHC-NSHDSACASA-N 284.281 3.522 30 20 CHED COc1ccc(F)cc1CN[C@H](CCC#N)c1ccccc1 271785437 LQBLRUXIWJWLFB-QGZVFWFLSA-N 298.361 3.969 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1C[C@H](c2ccccc2)C1 546581503 ZUADBRQRDRWABC-BZUAXINKSA-N 272.392 3.587 30 20 CHED C=C(C)Cn1c(-c2cccnc2)nnc1N(CCC)CCC 460934003 LQFSZFKAPJALNM-UHFFFAOYSA-N 299.422 3.543 30 20 CHED CC[C@H](O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 374136972 PXKQYOZURMDIJR-LIRRHRJNSA-N 294.398 3.647 30 20 CHED C[C@H]1C[C@H](C)CCN1C(=O)c1ccc(C(C)(C)C#N)cc1 280258018 UUPDFJPQBLHTBF-KGLIPLIRSA-N 284.403 3.748 30 20 CHED CC(C)c1ccc2occ(C(=O)NC3(C#N)CCC3)c2c1 287004529 PCRUEUJUDZFBPV-UHFFFAOYSA-N 282.343 3.732 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)CC1 464168936 JUMAJLVMIWGRCY-CKEIUWERSA-N 278.440 3.893 30 20 CHED CC1(C)CC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)n1 553705645 QWRLABYKFVOJEY-SNVBAGLBSA-N 269.270 3.573 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCCc1ccccc1F)CC2 554999446 CKEVNODKYLPNRT-LJQANCHMSA-N 294.373 3.907 30 20 CHED C[C@@H](NCC1(c2ccccn2)CCC1)c1ccc(C#N)cc1 375638210 YOTIFKGNWSNKST-OAHLLOKOSA-N 291.398 3.726 30 20 CHED N#CCSCCCN1CCC(c2cccc(F)c2)CC1 377992322 JDHMTYOLSNBOLO-UHFFFAOYSA-N 292.423 3.652 30 20 CHED C=CCCC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 378652916 WMVWBLXKTXVGNT-CYBMUJFWSA-N 297.320 3.988 30 20 CHED Cc1cccc(CN(C)C(=O)[C@@H](C)c2cccc(C#N)c2)c1 461899167 NZAJHNJVSKHDSG-HNNXBMFYSA-N 292.382 3.629 30 20 CHED C=CCC[C@H](NCCCOCC1CC1)c1ccco1 285832377 WYMYHVDTSSERCA-HNNXBMFYSA-N 263.381 3.693 30 20 CHED C[C@@H](C(=O)N(C)[C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 462343519 WQDWAAAEQVRLKQ-CJNGLKHVSA-N 284.403 3.699 30 20 CHED C=C[C@@H](C)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 465115892 QBLJDZZHZZQBLG-GHMZBOCLSA-N 285.309 3.890 30 20 CHED C=CC[C@H](C)N[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 638611308 TWROLNDGEQDMJC-KVSKMBFKSA-N 284.447 3.909 30 20 CHED C[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 638900543 QISSRDKKYZKWQH-RISCZKNCSA-N 299.361 3.541 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(C)c2ccccc12 556844668 AKMJANJHERWSDV-ZDUSSCGKSA-N 266.344 3.570 30 20 CHED C=CCOc1ccc(CNC(=O)c2cccc(C)c2C)cc1 557062199 KHRCWBAZDWXNSP-UHFFFAOYSA-N 295.382 3.798 30 20 CHED C=CCCCC(=O)O[C@H](C)c1nccn1-c1ccccc1 803073473 RRJLCYVKLUDLCG-CQSZACIVSA-N 284.359 3.833 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 552073025 KZSPSICLYWINGR-AWEZNQCLSA-N 290.794 3.910 30 20 CHED C#CCCCCC(=O)N(c1ccccc1OC)C(C)C 291824857 ZBEMZTRGVOLOMC-UHFFFAOYSA-N 273.376 3.630 30 20 CHED C#CCCCCc1nc([C@H]2CSc3ccccc32)no1 296416171 LGBICWXIJDPEEV-ZDUSSCGKSA-N 284.384 3.653 30 20 CHED C=CCCCCNC(=O)c1ccc(OC)cc1OCCC 474189096 LJQQDOVFKSSLPL-UHFFFAOYSA-N 291.391 3.570 30 20 CHED CC(Cc1ccsc1)=NNc1nccnc1C1CCC1 807991381 MBNGPMTYFOSSCU-UHFFFAOYSA-N 286.404 3.836 30 20 CHED CCCCCCCC(=O)NCc1cccc(NC(C)=O)c1 298415478 OSBWCUKLUCCSFY-UHFFFAOYSA-N 290.407 3.622 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)cc2)oc1C 800476351 JRCJDOIAAPULJI-LBPRGKRZSA-N 254.333 3.619 30 20 CHED C[C@H](C#N)OCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 801943777 HVUFLXULMIRHGN-NXWXRZEISA-N 298.430 3.573 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc(F)c(C)cc1F 804831697 QLLIHGUTHYAONM-UHFFFAOYSA-N 299.320 3.549 30 20 CHED C=CCN(CC=C)C(=O)C1(c2ccc(C)cc2)CCC1 644536014 FYXCCNARPCQYDW-UHFFFAOYSA-N 269.388 3.617 30 20 CHED CC1(C)CN(c2cccc(F)c2C#N)[C@H]1c1ccncc1 292736003 MLUSTXSTVXCXOR-INIZCTEOSA-N 281.334 3.680 30 20 CHED Cc1ccc(CNC[C@H](C#N)CCC#N)c(OC(C)(C)C)c1 562458419 IXWWQFAVRJIKDH-HNNXBMFYSA-N 299.418 3.705 30 20 CHED N#Cc1cc(NC(=O)C=C2CCCC2)nc2ccccc12 809073896 DWEOUSVYZYSKJC-UHFFFAOYSA-N 277.327 3.545 30 20 CHED C#CCCc1noc(-c2ccc(-c3csc(C)n3)cc2)n1 809398325 XZRHVXUVKBSGDS-UHFFFAOYSA-N 295.367 3.734 30 20 CHED C[C@H](C#N)OCCSCc1cc(F)ccc1Cl 802751407 JDGABWHMQSDIER-SECBINFHSA-N 273.760 3.641 30 20 CHED CCC[C@H](C)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 299470438 BSVLINXMQKURRR-STQMWFEESA-N 258.365 3.562 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1cnc2ccc(F)cc2c1 801023711 RYYZUIAFRDBDHT-MRXNPFEDSA-N 273.307 3.882 30 20 CHED C#CCC(C)(C)c1nc(-c2ccnc(O[C@H](C)CC)c2)no1 809437628 WODYOULZKUYCAR-GFCCVEGCSA-N 299.374 3.610 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2cc(F)ccc2o1 566654799 PYROCBYMYGVNNJ-CYBMUJFWSA-N 273.307 3.753 30 20 CHED CC#CC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 801139777 PYQSGOVHYBPLMW-CQSZACIVSA-N 277.367 3.915 30 20 CHED C[C@@H]1CC(=NNc2nncc3ccccc23)c2ccccc21 807946778 TXFVHFSZLCIORX-GFCCVEGCSA-N 288.354 3.953 30 20 CHED C=CCC[C@H](C)NC[C@H]1CCO[C@@H]1c1ccccc1 477949661 QIQIYUUKIKOABK-USXIJHARSA-N 259.393 3.709 30 20 CHED N#Cc1ccc(C2=CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 560678354 UIIQMTPLYZPWPY-VDGAXYAQSA-N 290.410 3.860 30 20 CHED CCOc1ccc(CN(C(=O)CCCC#N)C(C)C)cc1 291251009 NWZRDESAJXOIKX-UHFFFAOYSA-N 288.391 3.516 30 20 CHED C=CCN(CCC#N)[C@@H](C)c1ccc(OC(F)F)cc1 292318910 VTRROBNPZKFTKQ-LBPRGKRZSA-N 280.318 3.751 30 20 CHED C[C@H](CC(C)(C)C)C(=O)N[C@H](C#N)c1ccccc1F 476229386 BFTRNZHPHMEFKB-BXUZGUMPSA-N 276.355 3.579 30 20 CHED CC(C)[C@@H](O)CSc1ccc(C#N)c(C(F)(F)F)c1 298438193 RVQRTXURLGMZMC-LBPRGKRZSA-N 289.322 3.686 30 20 CHED C=CCCCC(=O)O[C@@H]1CCOc2c(F)cc(F)cc21 806011151 OJGQXFDZWWGGLO-CYBMUJFWSA-N 282.286 3.688 30 20 CHED C(=NNc1nccnc1C1CCC1)c1cnc(C2CC2)s1 807993026 QZHWMOHAKBAEML-UHFFFAOYSA-N 299.403 3.524 30 20 CHED CCCCc1ccc(C(=O)NCC#Cc2ccccc2)cc1 643646520 PXYWJSIAZNITTB-UHFFFAOYSA-N 291.394 3.811 30 20 CHED C=CCCCCCN(C)C(=O)C1(F)CCCCC1 810428236 USMXSMLLYAKRRP-UHFFFAOYSA-N 255.377 3.864 30 20 CHED C=CCCCCOC(=O)C[C@H]1OCCc2ccccc21 811010507 ALIXYPWRLVWXBY-MRXNPFEDSA-N 274.360 3.590 30 20 CHED C=C1CCN(C(=O)[C@H](CC)Oc2ccccc2Cl)CC1 482512690 PTSLSUVCXFTVOC-AWEZNQCLSA-N 293.794 3.676 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2ccccc2C(=O)O)CS1 814769239 WTNHLAUJVNCQJK-CYBMUJFWSA-N 292.404 3.704 30 20 CHED CC(=NNC[C@@H]1CCSC1)C12CC3CC(CC(C3)C1)C2 811661372 JTZBNZUTGMUCBP-SIGVMEELSA-N 292.492 3.921 30 20 CHED C=CCC[C@H](NCC1(OC)CCCCC1)C1CC1 480695200 PMKDJHNJDZCUKG-HNNXBMFYSA-N 251.414 3.670 30 20 CHED N#Cc1c(F)cccc1/C=C1/Cc2nc(Cl)ccc2C1=O 811693292 HJQSPRPTRYCHKF-POHAHGRESA-N 298.704 3.568 30 20 CHED Fc1ccc2c(c1)OCC2=NNc1cccc2cnccc12 814836265 MGAMQCKSXQSZKI-UHFFFAOYSA-N 293.301 3.583 30 20 CHED CC(=NNc1c(F)cccc1F)c1cc(N)ccc1F 814852738 MVVKYSUDDCSOIL-UHFFFAOYSA-N 279.265 3.522 30 20 CHED N#Cc1cccnc1/C=C/c1csc(Br)c1 486055892 UAUIKQYCVUOIQQ-ONEGZZNKSA-N 291.173 3.948 30 20 CHED C#CCCCCCC(=O)N(C)[C@H](C)c1cccc(C#N)c1 819736648 MHDVBGNDQXVUAE-OAHLLOKOSA-N 282.387 3.661 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 483403052 ZHZVQHBLAJVXHI-ZIAGYGMSSA-N 290.382 3.679 30 20 CHED N#Cc1ccc(NC(=O)/C=C/C2CCCCC2)cc1F 813259746 DBXGCABCWHNOCH-RMKNXTFCSA-N 272.323 3.772 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2ccc(C#N)s2)C1 487534862 IHHMLUCATIDOLO-OAHLLOKOSA-N 276.405 3.662 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC2(CCc3ccccc3C2)CC1 653324603 ZJOXHNZGLDUDTB-OAHLLOKOSA-N 298.430 3.542 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@]2(C#N)CC2(C)C)cc1 484912250 QEANPKQPZIGTLP-ACJLOTCBSA-N 284.403 3.551 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(Cl)cc1F 810537952 OJBZUZONPFHLQZ-UHFFFAOYSA-N 287.721 3.642 30 20 CHED CC(C)c1nc(CN2CCC(CC#N)CC2)c2ccccn12 577758625 IVKJYFWODRNLAZ-UHFFFAOYSA-N 296.418 3.583 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cn(C)nc2C(F)F)c1 812240326 LMVBIEZNVAJEHO-VOTSOKGWSA-N 290.313 3.871 30 20 CHED C#CCCOC(=O)c1sccc1-c1ccc(F)cc1 727042093 PAXNOQFSQHAKOI-UHFFFAOYSA-N 274.316 3.734 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)Cc3ccoc3C)c2c1 488055662 XLDTZEPTKYPAKG-UHFFFAOYSA-N 291.354 3.953 30 20 CHED C=CCC[C@H](NC[C@@]1(C)OCCc2sccc21)C1CC1 570977944 IHPLMRMRQCNRQS-DOTOQJQBSA-N 291.460 3.870 30 20 CHED Cc1csc(-c2cccc(Nc3cc(C#N)ncn3)c2)n1 572079351 YEENVCFWWQAQSJ-UHFFFAOYSA-N 293.355 3.524 30 20 CHED CC(C)n1cncc1C=NNc1cc(Cl)nc(Cl)c1 819828897 UFLHGMULIHOCAG-UHFFFAOYSA-N 298.177 3.612 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Cc1cccc(F)c1 488867097 MSGXZRNGRVRVTM-CJNGLKHVSA-N 275.367 3.571 30 20 CHED CN(C)c1ccc(C=NNc2ccc(F)cc2F)cc1F 727650713 RDOHDUAOGRKCGD-UHFFFAOYSA-N 293.292 3.616 30 20 CHED Cc1cccc(NN=C2CCCOc3ccccc32)c1 728427779 VKOALJJBCKHKLB-UHFFFAOYSA-N 266.344 3.984 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(O)c(F)c1 728438660 KKQCDCUMJIVNQR-VURMDHGXSA-N 256.276 3.736 30 20 CHED Cc1cc(N2C[C@@H](C)C[C@@H]2c2ccccc2)cc(C#N)n1 578897792 SMYTWTOQYDCOOQ-SCLBCKFNSA-N 277.371 3.849 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCCCC[C@@H]1c1ccncc1 820636477 WIADLVRIEXYRAN-DLBZAZTESA-N 299.418 3.510 30 20 CHED C=CCCCCSCCCNC(=O)C1CCCC1 581598081 KDIMGKDZKFKCTL-UHFFFAOYSA-N 269.454 3.772 30 20 CHED N#CCCCCCC(=O)NCCCC1CCCCC1 588150480 WKXDCPSBUDMHGQ-UHFFFAOYSA-N 264.413 3.937 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc3oncc3c2)cc1 821027792 LRCDOMJPTSPDEE-KRXBUXKQSA-N 279.295 3.733 30 20 CHED CC[C@H](NC[C@]1(C)CCO[C@H]1C1CC1)c1cccc(C#N)c1 902957163 QXHNMKNJTGCMOD-FHWLQOOXSA-N 298.430 3.804 30 20 CHED Cc1c(C(=O)/C=C\c2cccc3ccccc23)cnn1C 588397054 DLKCDEFJWBGOHY-KHPPLWFESA-N 276.339 3.778 30 20 CHED C/C(C=NNc1nccnc1Cl)=C\c1ccccc1 733080666 VPKVHBCYWSHQLV-VYRZMWHGSA-N 272.739 3.631 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2ncc[nH]2)c1 900556851 XVSYEWYCBHETCK-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2ncc(C)s2)C1 660810592 NXKYNWAPNAFQHI-OLZOCXBDSA-N 293.436 3.510 30 20 CHED CC(C)n1cncc1/C=C1\CCc2sccc2C1=O 901466666 CDJILMQRCVLLGU-YRNVUSSQSA-N 272.373 3.738 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1nc2ccccc2s1 836308090 XRCOGVVKNOQMKT-NSHDSACASA-N 289.404 3.623 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1cccc(OC(F)F)c1 834996390 ROSQHVNHGAFNMK-MRVPVSSYSA-N 296.239 3.552 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)c1ccsc1)c1ccncc1 737854700 KVUGWODYQGIIMG-SWLSCSKDSA-N 286.400 3.680 30 20 CHED COc1ccccc1/C(C)=C/C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839056219 ZSLFCEOGQHDSIS-RTZSPXFWSA-N 299.370 3.724 30 20 CHED C=CCCCOC(=O)c1cc2ccc(OCC)cc2[nH]1 735530200 GOYGIGPDEGJJLK-UHFFFAOYSA-N 273.332 3.690 30 20 CHED C=CCCOCC(=O)N[C@@H](CC1CCC1)c1ccccc1 679205126 BWDQEMQPWRAGPY-KRWDZBQOSA-N 287.403 3.627 30 20 CHED C(=NOCc1ccccc1)c1c[nH]nc1-c1cccs1 839423843 WZMYWJIQEHNEPK-UHFFFAOYSA-N 283.356 3.689 30 20 CHED C#CCOc1cccc(OC(=O)C[C@H](C)c2ccccc2)c1 730498124 ROSOBMNAJFLCMG-HNNXBMFYSA-N 294.350 3.798 30 20 CHED COc1ccc([C@H](C)C(C)=NN[C@@H](C)C(F)(F)F)cc1 835000653 LKLBXEYWRSJVJN-KOLCDFICSA-N 288.313 3.715 30 20 CHED CCCCCCCC(=O)OCc1nc(-c2ccco2)no1 919222542 DCVUFQWQIXDFLK-UHFFFAOYSA-N 292.335 3.733 30 20 CHED CCOc1ccccc1NCCCOc1ccc(C#N)cc1 917802678 MMVDYOMELRVYFR-UHFFFAOYSA-N 296.370 3.838 30 20 CHED COCc1cccc(C/N=C\c2cc(Cl)ccc2O)c1 915979217 MPBMIWAYEWMVTO-ZDLGFXPLSA-N 289.762 3.811 30 20 CHED C[C@H](NN=Cc1cc2ccccc2s1)C(F)(F)F 834999320 CUPZLKFRCCQXAG-QMMMGPOBSA-N 272.295 3.776 30 20 CHED N#CCOc1cccc(CC(=O)OCCC2=CCCCC2)c1 835721236 NSIAZXUGMJXIOW-UHFFFAOYSA-N 299.370 3.565 30 20 CHED CC(C)C#CC(=O)N[C@H](CC1CCC1)c1ccccc1 831799041 CFPQKEGUZOHUEE-QGZVFWFLSA-N 269.388 3.694 30 20 CHED C=CCNc1ncc(C(=O)Nc2ccc(C3CC3)cc2)s1 678580015 LLELCHVXNVNYLT-UHFFFAOYSA-N 299.399 3.871 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(C)cc2OC)c1 917558250 KNBGAWPJXCACNB-UHFFFAOYSA-N 285.343 3.859 30 20 CHED C/C(=C(/F)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1CC1 911313809 SKFPFQSQYJJJGF-IEMQHYRPSA-N 286.350 3.731 30 20 CHED CC[C@H](C)[C@H](C=NNc1cccc(C(F)(F)F)n1)OC 834959584 VHBWDVBLCYQLJA-UWVGGRQHSA-N 289.301 3.559 30 20 CHED N#C[C@H](c1ccccc1)N1CCC[C@@H](CC(F)(F)F)C1 595551418 LRVBWFCAJGOGOE-GXTWGEPZSA-N 282.309 3.916 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1csc(C)c1 834654764 RJXTWXYGZAMRBP-AWEZNQCLSA-N 285.412 3.919 30 20 CHED CCCN(Cc1ccccc1F)[C@H]1CC[C@@H](C#N)C1 595781183 ACBGQRKTQSMQDB-HIFRSBDPSA-N 260.356 3.730 30 20 CHED C[C@@H](N(C)c1nc(C#N)c(Cl)s1)C(C)(C)C 596073491 RGSQLNZOCCKKSC-SSDOTTSWSA-N 257.790 3.539 30 20 CHED C[C@@H]1CC[C@H](C(=O)Oc2cccc(OCC#N)c2)C[C@H]1C 841344064 NWSIVPFESUGJKO-MCIONIFRSA-N 287.359 3.567 30 20 CHED C=CCC1(C(=O)O[C@@H](C)C(=O)c2cccc(F)c2)CCC1 840487243 FZIVCGWDXNAVCO-LBPRGKRZSA-N 290.334 3.687 30 20 CHED CCCCCCCCCC(=O)Nc1cc(C)n(C)n1 749012456 XAONNYCXCNKTPS-UHFFFAOYSA-N 265.401 3.808 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccc(F)cc1)C(C)C 918155938 UQPBRHBDOFICCY-ZDUSSCGKSA-N 263.356 3.742 30 20 CHED C=CCOc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1 916245055 QXTUNKDCNKRXFA-UHFFFAOYSA-N 297.314 3.606 30 20 CHED Oc1ccccc1/C=N\Cc1c(F)cccc1Cl 745624114 FWAIKEXSMKEFJT-IUXPMGMMSA-N 263.699 3.804 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 599059173 OLNVCGWXNSTAJH-BPLDGKMQSA-N 290.357 3.836 30 20 CHED CCc1ccc(C)nc1NC1CCC(C)(C#N)CC1 597185301 WSNQTVNFFIFGRA-UHFFFAOYSA-N 257.381 3.837 30 20 CHED C#CCCc1noc(-c2csc(C3CCCCC3)n2)n1 842492618 YOTLWJIELZZWSY-UHFFFAOYSA-N 287.388 3.807 30 20 CHED Cc1cc(C#N)ccc1N[C@H]1CCOC2(CCCC2)C1 846752494 BCFLYCZZQJBAPC-HNNXBMFYSA-N 270.376 3.770 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)c1ccc(C)o1 742694055 BLLYNCHFKZINJU-AWEZNQCLSA-N 263.381 3.896 30 20 CHED CC[C@H](C#N)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 593446200 NEBYGWZLARWBCJ-DYVFJYSZSA-N 282.387 3.605 30 20 CHED Cc1ccc2c(C)cc(N3CCC[C@H](CC#N)C3)nc2c1 596321488 HYQUFNPLFIIQJZ-OAHLLOKOSA-N 279.387 3.982 30 20 CHED C=CCCCCNC(=O)Nc1ccc(-n2cccn2)cc1C 682764856 KHONOLFOIHZQLU-UHFFFAOYSA-N 298.390 3.659 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593986409 ZTINVCDVDZFPMQ-SOUVJXGZSA-N 286.419 3.678 30 20 CHED C=CCCCCC[C@H](C)NCC(C)(C)C1(O)CCOCC1 841764348 WXCAEDCEPZFHKG-INIZCTEOSA-N 297.483 3.669 30 20 CHED CCCCCCCC(=O)OCc1cccc2c[nH]nc12 745951153 IXLPWSRZZVOMHI-UHFFFAOYSA-N 274.364 3.967 30 20 CHED C=C(C)COC(=O)CCc1c[nH]c2cc(C)ccc12 745756576 CSMYQBLFQUKWFM-UHFFFAOYSA-N 257.333 3.528 30 20 CHED C#CCCCCCC(=O)O[C@H]1C[C@H](C)C(=O)C(C)(C)C1 847937500 LZFNXKHDOJDDET-KBPBESRZSA-N 278.392 3.507 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C=C1CCCCC1 841371092 VNAKVSCKNNSZOW-GOSISDBHSA-N 294.398 3.942 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)Cc2c(F)cccc21 921263961 MGGYXAQEYDMYES-POHAHGRESA-N 274.241 3.926 30 20 CHED CCc1ncc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 929756634 IIOHRJFGDOELRS-DLBZAZTESA-N 295.386 3.509 30 20 CHED C#CC[C@H](NC(=O)c1cnc(C2CC2)s1)c1ccccc1 757582304 ZLEBIHWDBHYUBC-AWEZNQCLSA-N 296.395 3.515 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)c1cccs1 851209455 LDMLOPJBXFBEQK-QWRGUYRKSA-N 265.378 3.723 30 20 CHED C#CCC(C)(C)COC(=O)c1ccsc1Cl 853114055 JJTZQDWRXFJJCI-UHFFFAOYSA-N 256.754 3.608 30 20 CHED C=CCN(C(=O)/C=C/SCc1ccco1)C(C)(C)C 857651346 YRUMQNPVLQCDAO-DHZHZOJOSA-N 279.405 3.840 30 20 CHED C=CCCO[C@@H](C)C(=O)OCCCC1CCCCC1 921146201 NONFYGLWCLJQCS-AWEZNQCLSA-N 268.397 3.871 30 20 CHED C=CC[C@H]1N(Cc2nnsc2Cl)CCCC1(C)C 683528298 QZWTXSMSLGDMTN-LLVKDONJSA-N 285.844 3.758 30 20 CHED CCCCCCCNC(=O)N(C)Cc1ncc(CC)s1 858110979 ODGZOCXZVGPQAF-UHFFFAOYSA-N 297.468 3.817 30 20 CHED C[C@@H](COCC1CCCCC1)NC(=O)CCCCCC#N 928705005 RKKAKTJEJPXPBF-HNNXBMFYSA-N 294.439 3.562 30 20 CHED N#CCc1ccc(NC(=O)CC[C@H]2CC2(Cl)Cl)cc1 854271516 KDKCDCMGJPAGHD-NSHDSACASA-N 297.185 3.665 30 20 CHED C#CCCOC(=O)NC1(c2c(Cl)cccc2Cl)CC1 859063566 UYYMNSVLNRLHPC-UHFFFAOYSA-N 298.169 3.732 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(OC)cc1C 853008574 UGJVSBCOAIAYJX-YVMONPNESA-N 284.359 3.506 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1CCSC1 762054282 XKIYDJZFRQSSSE-CQSZACIVSA-N 271.470 3.949 30 20 CHED Cc1cc(C)nc(NN=C2C[C@@H](C)c3c(C)cccc32)n1 766679527 WHGHIQZURFTHQD-LLVKDONJSA-N 280.375 3.725 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)NCC(C)(C)CCC#N 935993244 PVLSALFTIZSMAQ-UHFFFAOYSA-N 290.407 3.945 30 20 CHED N#Cc1ccc(NC(=O)/C=C\c2ccc3[nH]ccc3c2)cc1 765543965 QHQDNDRUHLZCEU-YWEYNIOJSA-N 287.322 3.691 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccc[nH]2)c1 760766196 HHEWLUMKOUZRKX-ZDUSSCGKSA-N 299.374 3.852 30 20 CHED Cc1cc(OC(=O)c2csc(C(C)C)n2)ccc1C#N 765113104 LCABOKKVVKKLHY-UHFFFAOYSA-N 286.356 3.666 30 20 CHED N#CC1CCN(C(=O)CCc2cccc3ccccc23)CC1 865056085 ZGKMXMOUMYHBBV-UHFFFAOYSA-N 292.382 3.535 30 20 CHED C#CCCN(Cc1cccc2cccnc12)CC(F)(F)F 767899713 LIHLFJWCABAQBX-UHFFFAOYSA-N 292.304 3.622 30 20 CHED CC/C=C(/C)C(=O)OCc1ccccc1C(C)(C)C#N 767986766 AWOAJTWCKYWKQX-JYRVWZFOSA-N 271.360 3.887 30 20 CHED C[C@@H](COC(=O)c1ccc(C#N)[nH]1)c1cccc(Cl)c1 764692370 MSAKTGMRIPOIOD-JTQLQIEISA-N 288.734 3.500 30 20 CHED C#CCCCCNC(=O)CC(C1CCC1)C1CCC1 860020154 CNCZUEAPSLYPIZ-UHFFFAOYSA-N 261.409 3.513 30 20 CHED CC(CC1CCOCC1)=NNc1c(C)cccc1F 769839701 FYOAPHIOHYUBKD-UHFFFAOYSA-N 264.344 3.739 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCC1(C#N)CCC1 1119605844 BFGJRQMBZKXSGZ-QWHCGFSZSA-N 270.376 3.532 30 20 CHED C#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2CCC)cc1 877841928 BZAUDSCXWZMSHV-SFHVURJKSA-N 290.366 3.644 30 20 CHED C#CCCCCC(=O)N(CCC)c1ccccc1F 875884091 ABVLTCNQBXZZIJ-UHFFFAOYSA-N 261.340 3.762 30 20 CHED C#CCN(C(=O)c1cccc2c1ccn2CC(C)C)C1CC1 772561653 RFFOZSCWMVNVNP-UHFFFAOYSA-N 294.398 3.535 30 20 CHED CCC(C)(C)N(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 878245957 HGXSAPCGWNONMI-GOSISDBHSA-N 286.419 3.547 30 20 CHED CCCCCC[C@H](C)NN=C(C)[C@@H]1CCCOC1 779774904 OOHWKUKXZHQHQZ-DZGCQCFKSA-N 254.418 3.737 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)Cc1ccc(C)s1 878906961 UYNXHCAJNXQKPM-LLVKDONJSA-N 265.422 3.706 30 20 CHED Cc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)c(F)c1 776393486 GPYPSQATKZUVPN-OAHLLOKOSA-N 275.323 3.763 30 20 CHED O=C(/C=C\c1ccco1)OCC#Cc1cccc(Cl)c1 773102826 DAYFXGXVIBADJH-HJWRWDBZSA-N 286.714 3.541 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(F)c2Cl)cs1 1128781405 JPWKMSACMMWUNL-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=C(CC)C(=O)N1CCn2c(cc3c(Cl)cccc32)C1 1123759006 XPCGRHPQSOWOSR-UHFFFAOYSA-N 288.778 3.603 30 20 CHED Cc1ccc(COC(=O)C2(C#N)CC(C)C2)c(Cl)c1 773441111 FGPUBMVSOWOAGT-UHFFFAOYSA-N 277.751 3.632 30 20 CHED CCC[C@H](C(=O)OCc1ccc(CC#N)cc1)C(C)C 776112730 LCQQXXOEZSJWNF-INIZCTEOSA-N 273.376 3.868 30 20 CHED Cc1ccncc1CCC=NNc1ccc2ccccc2n1 776720209 JARUCLBODMDBGW-UHFFFAOYSA-N 290.370 3.969 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1nn(C(C)C)cc1Cl 889558383 KISXQOVKEPRPID-SNVBAGLBSA-N 284.791 3.594 30 20 CHED CC(C)CCOc1ccc(C=NOC2CCOCC2)cc1 774456819 HAFJYPUHTUEKRO-UHFFFAOYSA-N 291.391 3.641 30 20 CHED Cc1cc(Cl)nc(C(=O)O[C@H](C)CC(C)(C)C#N)c1 1123181124 CTUUFBMVWDDVEC-SNVBAGLBSA-N 280.755 3.529 30 20 CHED C=C1CCC(C(=O)O[C@@H](C)CC#Cc2cccnc2)CC1 1123062610 UGOJUZRDZLQLNP-HNNXBMFYSA-N 283.371 3.501 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H]1CCC[C@H](C)CC1 1128187301 LXZMNGRYDJHGQD-WFASDCNBSA-N 270.376 3.565 30 20 CHED C#C[C@H](OC(=O)c1cc2cc(C)c(C)cc2o1)C1CC1 783119820 JOQZIQZKKIXLGC-AWEZNQCLSA-N 268.312 3.618 30 20 CHED C=C(C)CCC(=O)N1CCSC[C@@H]1c1ccccc1 1120949180 ACYVJTRRZDLRPE-OAHLLOKOSA-N 275.417 3.659 30 20 CHED CC(C)[C@@H](C)C(=O)OCc1ccc(Cl)cc1C#N 780037101 LLFYNFWHVQVKCD-SNVBAGLBSA-N 265.740 3.547 30 20 CHED C=C(C)CCC(=O)N(CC)[C@@H](C)c1cccc(OC)c1 1120674491 KVOLPEXHMMMMIV-AWEZNQCLSA-N 275.392 3.961 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1cc(Cl)ccn1 783863111 PCEJXZBRWKAGHX-MNOVXSKESA-N 251.761 3.959 30 20 CHED C#CCC1(C(=O)Nc2cccc(C)c2)CCCCC1 788150512 YIJQDWUQHYCUHN-UHFFFAOYSA-N 255.361 3.907 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccccc1COC 1123398777 PRFYEEXUEDZPQW-HNNXBMFYSA-N 288.391 3.796 30 20 CHED CC(C)CN(CCC#N)Cc1cnc(-c2ccco2)s1 787047745 DGVZYARQCCCTQR-UHFFFAOYSA-N 289.404 3.775 30 20 CHED C#CCOc1ccccc1NCc1scnc1C1CC1 785511618 MIKLBXLUOAMHPM-UHFFFAOYSA-N 284.384 3.645 30 20 CHED C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1CCC1(C)C 789059470 CYNRGQFLKWREGO-LBPRGKRZSA-N 288.391 3.502 30 20 CHED C=CCCCCCOC(=O)c1cc(C)nc2onc(C)c12 782626328 DSYBMBFPFGQNFQ-UHFFFAOYSA-N 288.347 3.743 30 20 CHED CC[C@H](C#N)OC(=O)c1sccc1-n1c(C)ccc1C 781167642 SAWDYIADODBPQU-GFCCVEGCSA-N 288.372 3.615 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)C(C#N)(CC)CC 890617523 WWYJQRUNUYMAGK-HNNXBMFYSA-N 270.376 3.810 30 20 CHED CC(C)(C)CN(C(=O)c1ccc(C#N)cc1)c1ccccn1 891504419 POEDJPKWUNZLRL-UHFFFAOYSA-N 293.370 3.646 30 20 CHED N#C[C@@H](NC(=O)[C@@H](F)CC1CCCCC1)C1CCCCC1 793608339 FPNYRSUJZDJNQS-JKSUJKDBSA-N 294.414 3.884 30 20 CHED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(C)(C)C#N 796783027 GPMOHKCDMWYMBQ-DZGCQCFKSA-N 284.359 3.555 30 20 CHED Cc1ccnc2ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc12 797178108 NAOTWMFXZYOWKI-GFCCVEGCSA-N 282.343 3.638 30 20 CHED CC[C@](C)(NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 790458937 GSXBBOQZULHCPZ-SFHVURJKSA-N 296.345 3.753 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cc(F)ccc1F 793173778 DNUGDGHLWMDQAQ-UHFFFAOYSA-N 281.693 3.849 30 20 CHED O=C(NCC#Cc1ccccc1)/C(F)=C/C1CCCCC1 798155346 JSHJQQSRKVOOBV-VKAVYKQESA-N 285.362 3.588 30 20 CHED C#CCC1(C(=O)NC[C@@H]2CC[C@H](C)C2)CCCCC1 794264370 UNZHCDHMLDDVJK-LSDHHAIUSA-N 261.409 3.513 30 20 CHED CC1(C)CC[C@H](C(=O)[C@@H](C#N)c2cnc3ccccc3n2)C1 792110839 UOGSXSJSDOYVAQ-STQMWFEESA-N 293.370 3.632 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2ccnn2C(C)C)c1 794942343 LZNBOZUICJTVKF-WAYWQWQTSA-N 268.360 3.977 30 20 CHED C=CCCCCC[C@H](C)NCC1CCN(C(=O)OC)CC1 797096481 INTVBNQBDTYPLS-HNNXBMFYSA-N 296.455 3.579 30 20 CHED Cc1cc(NN=C[C@H](c2ccccc2)C(C)C)nc(C)n1 794494678 HXCFRYSPYQYUJK-INIZCTEOSA-N 282.391 3.931 30 20 CHED CCC[C@@H](Nc1ccc(C#N)cc1)[C@H](O)c1ccccc1 795210879 YXUDACFRKAGUNR-QZTJIDSGSA-N 280.371 3.872 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C#N 799719576 QMEZTVNXNHEXNQ-JQFCIGGWSA-N 282.387 3.517 30 20 CHED CC(C)C[C@@H](C)C=NNc1nc(-c2ccccc2)no1 799112672 UQUVAHCJZAMVQT-GFCCVEGCSA-N 272.352 3.817 30 20 CHED C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cccs1 48473452 YVXGDZBTVUFYIZ-SNVBAGLBSA-N 271.345 3.502 30 20 CHED C[C@@H](Nc1ccc(C#N)c(Br)c1)c1ccc[nH]1 1307087790 WXEJMOKEGJNWHI-SECBINFHSA-N 290.164 3.822 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc(C(F)(F)F)n1 1350975284 IPZTVTGWINOZGJ-JTQLQIEISA-N 285.313 3.518 30 20 CHED Cc1cc(CNC[C@@H]2CCC[C@H](C)C2)ccc1C#N 1461109601 JKUMUUJNELRQCF-DZGCQCFKSA-N 256.393 3.783 30 20 CHED Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1C 58242955 WJLPZBJSQLWFRO-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CN(CCCN(CCC#N)CC(C)(C)C)c1ccccc1 1307485525 JHIQIJYQSYNTEZ-UHFFFAOYSA-N 287.451 3.775 30 20 CHED N#Cc1c(F)cccc1Oc1nc(Cl)cs1 164936249 KCAZPUKFANVFIA-UHFFFAOYSA-N 254.673 3.600 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1sccc1C#N 1310956700 NMYMRHUJMLRLFA-NEPJUHHUSA-N 291.420 3.958 30 20 CHED N#Cc1cccc(C2(C(=O)NC3CCCCCCC3)CC2)c1 1319519452 IFNCTHWRUWVOEJ-UHFFFAOYSA-N 296.414 3.819 30 20 CHED N#CCc1cccc(N(Cc2ccc(Cl)cc2)C2CC2)n1 1321329684 YKPJCJJMOOUOAZ-UHFFFAOYSA-N 297.789 3.970 30 20 CHED CC[C@H](C)[C@H](C)c1nnc(COc2ccccc2C#N)o1 1325754287 XTKATFLLTYAXOJ-RYUDHWBXSA-N 285.347 3.670 30 20 CHED CCCCC[C@H](C(=O)OCc1ccc(C#N)cn1)C(C)C 1324641850 PITUZWMQGJXHCY-INIZCTEOSA-N 288.391 3.849 30 20 CHED CCCCCCCCN1C(=O)CN(C2CCCC2)C1=O 733208138 RTMOQFFUKWLAGH-UHFFFAOYSA-N 280.412 3.554 30 20 CHED C[C@H]1CCN(c2cccc(CC#N)n2)CC12CCCCC2 1320363699 IEKXAIOLDWDINX-HNNXBMFYSA-N 283.419 3.944 30 20 CHED CC[C@H](C)c1nnc(-c2ccc(C#N)c(Cl)c2)o1 1326109369 FYRZUNOPPRLGSX-QMMMGPOBSA-N 261.712 3.775 30 20 CHED C=CC[C@H](NC[C@@H](C)c1cccc(Cl)c1)C(=O)OCC 1320765785 DMJSFTCEZVTELA-DOMZBBRYSA-N 295.810 3.541 30 20 CHED CC(C)=CCCOC(=O)CSc1ccc(C#N)cc1 1329405117 TUZQWGULWDEIHA-UHFFFAOYSA-N 275.373 3.550 30 20 CHED CN(Cc1cc2ccccc2[nH]1)Cc1cccc(C#N)c1F 1337204459 FYBHVPMJPWSJTP-UHFFFAOYSA-N 293.345 3.811 30 20 CHED C#CCCCCCC(=O)Nc1c(C)cnn1-c1ccccc1 1254359383 PELZJORKOUWTJM-UHFFFAOYSA-N 295.386 3.703 30 20 CHED C#CCCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 692899360 IJURMTDUTYKLFJ-JYJNAYRXSA-N 261.409 3.607 30 20 CHED N#Cc1cnc(N2CC[C@@H]2c2ccc(Cl)cc2)c(F)c1 1186405438 KYSXMKNLQRNHKU-CQSZACIVSA-N 287.725 3.697 30 20 CHED Cc1ccc(NC(=O)N[C@@H](C)CC#N)c(Cl)c1Cl 1255184337 MLJQNQIRCCGNRS-QMMMGPOBSA-N 286.162 3.726 30 20 CHED CC1(C)CCN(c2ccnc(C#N)c2)CC(C)(C)C1 699714199 LEPBMHHSCBDIQR-UHFFFAOYSA-N 257.381 3.606 30 20 CHED CCOc1cc(Cl)ccc1C(=O)N(CC)[C@H](C#N)CC 1337715294 CXRILWYZLCDVAP-LBPRGKRZSA-N 294.782 3.503 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1c(C)oc(C)c1C 1337551925 SMPMZBFFWPDCKU-AWEZNQCLSA-N 261.365 3.776 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(N=S(C)(C)=O)cc1 1347009360 MXKNLEIXBAKUAU-UHFFFAOYSA-N 294.420 3.587 30 20 CHED CC1(COC(=O)C2(c3cccc(C#N)c3)CC2)C[C@@H]2C[C@H]2C1 1344812735 KYZCJCPDNYOZNS-GJZGRUSLSA-N 295.382 3.569 30 20 CHED CC[C@@H](C)c1nnc(C(C)(C)Oc2ccc(C#N)cc2)o1 1345862494 NIKBRBKVCANIDK-LLVKDONJSA-N 285.347 3.769 30 20 CHED CCC[C@@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1355823288 NCGBBUUQDVZFCE-WBVHZDCISA-N 284.403 3.723 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1oc(CCC)nc1C 1353906133 SCGRUJKQTLUICA-CYBMUJFWSA-N 276.380 3.506 30 20 CHED C#C[C@@H](OC(=O)[C@H](C)OC1CCCCC1)c1ccccc1 1525408100 QWLCLONLENJGIZ-WMLDXEAASA-N 286.371 3.642 30 20 CHED C[C@H]1C[C@@H](CCNc2cc(C#N)ncn2)CC(C)(C)C1 1458358891 KMZYJWOKYUECDU-QWHCGFSZSA-N 272.396 3.613 30 20 CHED CCCCc1ccc(C(=O)N(CC)[C@@H](C#N)CC)cc1 1463055134 INLYPFYPNWICPA-MRXNPFEDSA-N 272.392 3.793 30 20 CHED N#CCC1(CNc2cccc3cc(C(=O)O)sc23)CC1 1601062690 TZOVICMLRJUTSK-UHFFFAOYSA-N 286.356 3.705 30 20 CHED CCC1(CC)[C@@H](Nc2cccc(CC#N)c2)C[C@@H]1OC 1474529106 GLXAQACHLFUPME-HOTGVXAUSA-N 272.392 3.758 30 20 CHED C=C(Cl)CN1CCN(Cc2ccccc2)[C@H](CCC)C1 1473305677 LUDVIRHZJVGVIK-QGZVFWFLSA-N 292.854 3.725 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1627603519 TVYCBUPRCKJPDQ-RYUDHWBXSA-N 285.391 3.895 30 20 CHED Cc1cc(C#N)cc(NC2CC(OC(C)(C)C)C2)c1 1621390275 ONNRZTHAWIHTSE-UHFFFAOYSA-N 258.365 3.625 30 20 CHED C=C(CNC(=O)Nc1scc(C)c1C#N)c1ccccc1 1624564199 IJQIJJUWTKGPCY-UHFFFAOYSA-N 297.383 3.763 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1CCCC1 1625418664 VLPOTELGGYXSLU-HNNXBMFYSA-N 289.354 3.788 30 20 CHED CCN(CCc1ccc(C#N)cc1)c1cccc(OC)c1 1559642558 UBVNUUMMZZDYGE-UHFFFAOYSA-N 280.371 3.636 30 20 CHED N#Cc1c(F)cccc1SCc1ccc(F)cn1 1559419347 ZKEJGZGLCAXOPU-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1cc(F)cc(C#N)c1 1563172179 YJYLPBVXLYBVBB-LLVKDONJSA-N 277.343 3.644 30 20 CHED C=CCCCCN[C@@H]1CCC[C@@H](CCCC(=O)O)C1 1573366346 LESZLVHXVVKGAI-LSDHHAIUSA-N 267.413 3.746 30 20 CHED N#Cc1cc2c(nc1OCC1CC(F)(F)C1)CCCCC2 1641365274 GLLORLLJSGCNDJ-UHFFFAOYSA-N 292.329 3.646 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(C)CC(C)(C)C 1740801314 VZICLRODLSUFBJ-UHFFFAOYSA-N 284.835 3.636 30 20 CHED C=CCN(Cc1ccc(C(=O)O)c(Cl)c1)C(C)(C)C 1588829342 UHMSGRLFOXPWID-UHFFFAOYSA-N 281.783 3.825 30 20 CHED C=C(Cl)CN1CCN(C2CC2)c2ccc(Cl)cc21 1654248756 UOQSSBHDLCMEPJ-UHFFFAOYSA-N 283.202 3.881 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNc1ncccc1C#N 1655570502 IOOOAMSDLYAVKF-DZGCQCFKSA-N 257.381 3.972 30 20 CHED Cc1cc(N[C@@H]2c3ccccc3CC[C@H]2C)ncc1C#N 1655319215 IQIKSZXPBVCMAD-XIKOKIGWSA-N 277.371 3.997 30 20 CHED C=CCC1(C=NNc2ccc(C(=O)O)nc2)CCCCC1 1776071526 FIJXURJGFZRFHY-UHFFFAOYSA-N 287.363 3.704 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)C1 1776153021 AKKHJOFQIQJACH-LISAXSMJSA-N 291.435 3.556 30 20 CHED CCCc1cccc(/C=C\C(=O)c2cncc(C(=O)O)c2)c1 1776835513 ILWXHPTYZYTOLA-FPLPWBNLSA-N 295.338 3.628 30 20 CHED Cc1ccc([C@@H](CC(=O)O)/N=C(\O)[C@H]2CC=CCC2)cc1 13181608 FTCACNYGFFWKSQ-LSDHHAIUSA-N 287.359 3.824 30 20 CHED C=CCN(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 161585949 XUCZNPKYMHYUQY-UHFFFAOYSA-N 292.791 3.722 30 20 CHED C=CCCOCCNC(=O)[C@@H](c1ccccc1)[C@H](C)CC 155204273 ZMKIEOKBRBTWBE-NVXWUHKLSA-N 289.419 3.525 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(O[C@H](C)CC)cc1 157265800 ZGGFKEBGGFVPAC-OLZOCXBDSA-N 289.379 3.678 30 20 CHED C=C(C)CNC(=O)Nc1sc(-c2ccccc2)nc1C 157782177 GQUNPYGMQFGSON-UHFFFAOYSA-N 287.388 3.816 30 20 CHED CN(CCOc1ccc(Cl)cc1)CCC(C)(C)C#N 157384312 UAFIKZUPJFDOSE-UHFFFAOYSA-N 280.799 3.590 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)C1CCC(C)(C)CC1 156530248 CLHKZTMRUGNSLD-UHFFFAOYSA-N 284.403 3.733 30 20 CHED CC#CCNC(=O)c1ccccc1Sc1ccccc1 154555717 LUZXLIMKQCXGDP-UHFFFAOYSA-N 281.380 3.591 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 159936797 NMATUDHGPXPOJJ-LLVKDONJSA-N 276.767 3.686 30 20 CHED C[C@@H](COc1ccccc1)Nc1nc(Cl)c(C#N)s1 804375588 VXNKIQAPTHBYIW-VIFPVBQESA-N 293.779 3.548 30 20 CHED CC(C)C1CCN(Cc2cccc(C#N)c2F)CC1 223547377 RQFZSNJYGOKRID-UHFFFAOYSA-N 260.356 3.565 30 20 CHED C=CCCCS[C@H](C)C(=O)N(C)Cc1ccccc1 117944821 HDFCMNWBGBWFIF-CQSZACIVSA-N 277.433 3.733 30 20 CHED COc1ccc(CNCC(C(C)C)C(C)C)cc1C#N 229527463 SGIJDKCKKUTDQG-UHFFFAOYSA-N 274.408 3.585 30 20 CHED N#Cc1ccc(CC(=O)Nc2c(F)cccc2Cl)cc1 122241218 STESLMBUDDDLGJ-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CCCCOc1ccc(CNCC(C)(C)C#N)cc1 168941666 IPJOEHLKNWRSME-UHFFFAOYSA-N 260.381 3.505 30 20 CHED CCCCCCCCNc1ccc(F)c(C(N)=O)c1 59446019 XOFJDWAISMTZEI-UHFFFAOYSA-N 266.360 3.697 30 20 CHED CC(C)O[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 404707845 QFTGYEGDIAHJMR-OAHLLOKOSA-N 292.810 3.601 30 20 CHED CN(C(=O)c1cc(F)ccc1Cl)c1ccccc1C#N 313140186 FSVKEFQKXFIODF-UHFFFAOYSA-N 288.709 3.627 30 20 CHED Cc1cc(F)ccc1CNc1cccc(CC#N)c1 313456115 XQCWUFBUYVYNHM-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cccc(Cl)c1Cl 320155998 ADJREQRYKWTCAY-QWRGUYRKSA-N 288.218 3.971 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cccc(OC(F)(F)F)c1 675934223 LKZSLKOUECYRGG-ZJUUUORDSA-N 259.271 3.810 30 20 CHED N#Cc1ncccc1OCc1ccc(C2CCC2)cc1 477037489 QHZQXXCGAWTVFH-UHFFFAOYSA-N 264.328 3.800 30 20 CHED Cc1nc(N(Cc2ccccc2)CC(F)F)ccc1C#N 488120623 DRVMJVGENKHWCK-UHFFFAOYSA-N 287.313 3.533 30 20 CHED CS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2C)C1 687962969 RDNNOOTUQSVYGT-HOTGVXAUSA-N 274.433 3.583 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCC1CCCC1 804835757 ZMIMPVXDGFNJFG-UHFFFAOYSA-N 269.388 3.619 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc(C)c(C)s1 804834907 RYSWFJQNTUMGIT-UHFFFAOYSA-N 283.396 3.641 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 104429869 UTANUWZKTRXDEZ-UHFFFAOYSA-N 286.306 3.918 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCc1cccc(C#N)c1 308091141 QYVZOACKQOZXBX-MRXNPFEDSA-N 272.392 3.637 30 20 CHED CCc1nc(C#N)cc(NCC2CCC(CC)CC2)n1 308174541 DEMXTYCSIJMURT-UHFFFAOYSA-N 272.396 3.539 30 20 CHED C=C(C)CN(CC)C(=O)/C=C(/C)Cc1ccccc1OC 106607094 HLRBOVZSZMFHDO-QINSGFPZSA-N 287.403 3.609 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccc(-c3ccccc3)[nH]2)C1 179937925 CJYAVDFVONGQIU-TZMCWYRMSA-N 280.327 3.531 30 20 CHED C[C@@H]1C[C@@H]1CNc1cc(Br)c(C#N)cc1F 309517655 ZACXBCLLLPQXSJ-VXNVDRBHSA-N 283.144 3.528 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCCc2sccc21 119178246 XQNOEFXECIQTKB-CYBMUJFWSA-N 263.406 3.593 30 20 CHED N#CCCCSc1nc2ccc(Cl)cc2[nH]1 23004286 XHNPOGUZXKKCPG-UHFFFAOYSA-N 251.742 3.612 30 20 CHED CCC[C@H](C(=O)NCC#Cc1ccccc1)c1ccccc1 55043638 JAMJWPZDHGKFRJ-IBGZPJMESA-N 291.394 3.738 30 20 CHED COc1ncccc1CSc1ccc(C#N)cc1Cl 178830049 ZMQWNCHQGQQGJZ-UHFFFAOYSA-N 290.775 3.908 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(C)c1 116814309 QGTUCSUYIJAJKW-DYVFJYSZSA-N 270.376 3.506 30 20 CHED N#Cc1ccc(OCc2cnc(Cl)s2)c(Cl)c1 310206361 UAPVWGIXKNSWRS-UHFFFAOYSA-N 285.155 3.901 30 20 CHED Cc1ccc(NC(=O)NCCCCC#N)cc1C(F)(F)F 171365870 YITSJPOTIFFKMI-UHFFFAOYSA-N 299.296 3.829 30 20 CHED CC(C)N(C[C@@H](O)c1ccc(C#N)cc1)C1CCCCC1 177727464 VEOTUZRDLFRDTP-GOSISDBHSA-N 286.419 3.635 30 20 CHED CCc1c(C)sc(NC(=O)C[C@H]2C=CCC2)c1C#N 68677828 NVVAYWMCPBNONO-NSHDSACASA-N 274.389 3.785 30 20 CHED COc1ccc(F)cc1[C@@H](C)N[C@H](C#N)C1CCCCC1 115606081 HRYIJSBVQVTXPG-MLGOLLRUSA-N 290.382 3.957 30 20 CHED C[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@@H]2CCCC[C@H]12 302205039 WQWKQJKHZPJRCP-MPKXVKKWSA-N 275.783 3.622 30 20 CHED C/C(=C\C(=O)NCCCCC#N)c1cccc(Cl)c1 176245459 AOQFQYMCCWMYPL-ZRDIBKRKSA-N 276.767 3.553 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](CC1CCCC1)C(C)C 116175767 HSORWTCYAYBSPZ-GOEBONIOSA-N 278.440 3.847 30 20 CHED COc1ccccc1[C@@H]1CCCN1c1ccc(C#N)cc1 301168245 SKBHKXUTXCTSSA-KRWDZBQOSA-N 278.355 3.908 30 20 CHED C[C@@H](CC(=O)[C@@H](C#N)c1ccccn1)c1ccccc1F 170672519 YZNQGFOFCSOXMW-JSGCOSHPSA-N 282.318 3.591 30 20 CHED CC(C)CN1CC[C@@H](CNc2ccc(Cl)cc2C#N)C1 301615082 UWUFRLKJIBCOGB-ZDUSSCGKSA-N 291.826 3.601 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)CC1CCCCC1 178563595 DMUBANAXTPMWJW-UHFFFAOYSA-N 285.391 3.911 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(C#N)cn1C(C)(C)C 170699143 YRMRVSKTFFAFSU-UHFFFAOYSA-N 288.395 3.545 30 20 CHED C=C(C)CCOC(=O)CCC(=O)c1ccc(OCC)cc1 174799879 RJIXOTOMHIEBON-UHFFFAOYSA-N 290.359 3.558 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC 177868715 WSMPNXOQVBWISD-STQMWFEESA-N 293.432 3.570 30 20 CHED CCc1ccc(-c2ccc(C(=O)N[C@@H](C#N)CC)o2)cc1 172954068 SSRUHMUNLMFZGM-CQSZACIVSA-N 282.343 3.541 30 20 CHED CCN(Cc1cccc(OC)n1)[C@@H](C)c1ccc(C#N)cc1 171859662 BIJIMJGYKIJUKK-AWEZNQCLSA-N 295.386 3.545 30 20 CHED C=CCOc1ccccc1CNc1cc(CC)nc(C)n1 302069826 XTLNQDWAFZYLBU-UHFFFAOYSA-N 283.375 3.524 30 20 CHED N#Cc1ccc(CC(=O)N(CC2CC2)C2CCCCC2)cc1 68013394 ZRBYIOWEEBLRIP-UHFFFAOYSA-N 296.414 3.672 30 20 CHED Cc1ccsc1[C@@H](Cc1ccccc1)N[C@@H](C)C#N 122763458 CIQBACXGVBNPPF-DZGCQCFKSA-N 270.401 3.842 30 20 CHED CCCCSc1nnc(S[C@@H](C#N)CC)s1 127291088 UVASWOZYNZNKKN-MRVPVSSYSA-N 273.452 3.825 30 20 CHED N#Cc1ccc(OCc2cccc(F)c2Cl)cc1 124059891 IQZMQMKYXOFIBV-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#Cc1cc(Br)ccc1NCCC(F)(F)F 123718885 IWCFACUQVDBLBX-UHFFFAOYSA-N 293.086 3.685 30 20 CHED N#Cc1cccc(NCCCSc2ccc(F)cc2)n1 301258711 FJTIDZLYGQQJJE-UHFFFAOYSA-N 287.363 3.687 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 181778551 GIMBFBIGHMYGNU-UHFFFAOYSA-N 285.347 3.745 30 20 CHED COc1cccc(C/N=C/c2cc3ccccc3nc2O)c1 121776041 JFRFDYZMYNQOAB-XDHOZWIPSA-N 292.338 3.568 30 20 CHED C=CCCOCCN[C@@H](C)c1csc(C(C)C)n1 186434486 INSXJPOVYXKKKD-LBPRGKRZSA-N 268.426 3.510 30 20 CHED C=CCC1(C(=O)NCC2(Cc3ccccc3)CC2)CCC1 189617460 KEQWOLMPBUUCCP-UHFFFAOYSA-N 283.415 3.872 30 20 CHED C#Cc1cccc(N(C(=O)Cc2cccs2)C(C)C)c1 77293920 IAKDKDIEVGGPFO-UHFFFAOYSA-N 283.396 3.714 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@@H](CC(C)C)C2)c1 302087570 FQCKOTBVFCKTIS-AWEZNQCLSA-N 270.376 3.633 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2ccccc2)cn1 185240987 RKEQBZSNWIPWAA-UHFFFAOYSA-N 278.355 3.881 30 20 CHED C=CC[C@H](C(=O)Nc1ccc2c(c1)CCO2)c1ccccc1 186480145 QXJOSDNHAVYRIF-KRWDZBQOSA-N 293.366 3.920 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H](Cc2ccccc2)C2CC2)C1 185833640 YQQLQFKIQKWAMD-CGTJXYLNSA-N 268.404 3.680 30 20 CHED C[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 79532740 SYPDFHIEPUQJRO-KEYYUXOJSA-N 299.418 3.839 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 180220500 RDAVGTKUIXFJEP-AWEZNQCLSA-N 296.370 3.712 30 20 CHED C#CCCCCC(=O)Oc1ccc(Cl)cc1F 120410354 UZUQDCGFSSFTQI-UHFFFAOYSA-N 254.688 3.578 30 20 CHED C[C@H](C#N)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 126730858 WXXGLORMDWYHED-SJKOYZFVSA-N 286.325 3.750 30 20 CHED COc1cc(/C=C\C(=O)c2c[nH]c3ccccc23)ccc1O 219411971 WTJOGULDZWYJOW-VURMDHGXSA-N 293.322 3.778 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ncc(C#N)cc2F)cc1 413060014 IDVGAGOLFZHOHC-GFCCVEGCSA-N 269.323 3.598 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2C2CCCCC2)c(F)c1 413073928 QQWDIQCKIDVVOF-OAHLLOKOSA-N 273.355 3.641 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 188430162 QQGCTNPYRKZGSV-JKIFEVAISA-N 281.440 3.546 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]1C(C)C 413841864 XLVBJRDJNFNRON-DLBZAZTESA-N 286.419 3.614 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C 183402731 FOMXAUIBGOILIX-CJNGLKHVSA-N 272.392 3.528 30 20 CHED CCN(CCC#N)C(=O)Nc1ccccc1CC(F)(F)F 78624225 JQTURRCNHLVIAP-UHFFFAOYSA-N 299.296 3.559 30 20 CHED C=C(C)CN(C)C(=O)NCC1(c2cccc(Cl)c2)CC1 181186916 BOKSBLGGDJCYSB-UHFFFAOYSA-N 292.810 3.589 30 20 CHED CCC(CC)CC(=O)N(CCC#N)CC(C)(C)C 128827381 LCEICCDPYKHVIY-UHFFFAOYSA-N 252.402 3.601 30 20 CHED C=CCOC(=O)c1ccc(CCC(F)(F)F)cc1 125005714 FCPJLFBRTMJUSE-UHFFFAOYSA-N 258.239 3.524 30 20 CHED C=CCCCC(=O)NC[C@@H](c1ccccc1)C(F)(F)F 187765844 SKLBHXHCFQQBPP-ZDUSSCGKSA-N 285.309 3.805 30 20 CHED C=C(C)CCN[C@H](C)c1nc(-c2ccc(CC)cc2)no1 509595205 ZUMKREHEPXLYRV-CYBMUJFWSA-N 285.391 3.916 30 20 CHED C[C@H](CNc1cc(C(F)(F)F)cnc1C#N)C(F)(F)F 413242300 YXCQKENSTADDID-ZCFIWIBFSA-N 297.202 3.582 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@]1(C)C(C)C 185731858 MNXDNTBQTKMBFA-PKOBYXMFSA-N 296.414 3.755 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1 182796397 OCVJMEXUSRSMLJ-GFCCVEGCSA-N 289.379 3.511 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 410643923 QCEFIQVBJOEVHB-LBPRGKRZSA-N 296.292 3.598 30 20 CHED CC(C)CCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 75299303 CTIOOOXJXQLDEA-IRXDYDNUSA-N 284.403 3.721 30 20 CHED CC#CCCCC(=O)NCc1oc2ccc(F)cc2c1C 185271382 AMLCNNDYYFTRKB-UHFFFAOYSA-N 287.334 3.690 30 20 CHED C=CCC[C@@H](NC(=O)c1cnc(C)nc1C)c1ccccc1 182159540 CPEWCFHSCTZWIK-QGZVFWFLSA-N 295.386 3.531 30 20 CHED Cc1ccnc(N(C)Cc2ccc(Cl)s2)c1C#N 135066852 NEFIGUJYOHGBFV-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C=CCn1c(N2CC[C@H](C(C)(C)C)C2)nnc1C(C)(C)C 508952534 QWFBYZQDEGICBX-ZDUSSCGKSA-N 290.455 3.634 30 20 CHED N#CC1(COC(=O)c2scnc2C2CCCC2)CCC1 183885801 ZRSQROZIHZPKLG-UHFFFAOYSA-N 290.388 3.651 30 20 CHED N#C[C@@H]1CCC[C@H](NCC2(Cc3ccccc3)CC2)C1 185867296 CDCDFYMNGVZXRS-SJORKVTESA-N 268.404 3.681 30 20 CHED C=C[C@H](CC(=O)N[C@@H](CCCC)COC)c1ccccc1 135222917 OXCUFSCLBMBEGM-WBVHZDCISA-N 289.419 3.668 30 20 CHED N#Cc1cc(NC(=O)/C=C/c2ccccc2)ccc1Cl 48824349 JBEUZHNXJSMTPO-RMKNXTFCSA-N 282.730 3.864 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)c1cccc(C)c1 130412831 MAAPBVBWWNHGDZ-UHFFFAOYSA-N 280.371 3.902 30 20 CHED CC[C@H](NCC[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 414162451 HARXFZDWADKWLP-XWTMOSNGSA-N 284.403 3.557 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C(C)(C)C 416309104 MRHIIPCIVHOQJT-HOTGVXAUSA-N 284.403 3.845 30 20 CHED CC[C@H](CN(CC)C(=O)CC(C)(C)C#N)c1ccccc1 505974785 BUMMSIWOTPCGHN-OAHLLOKOSA-N 286.419 3.969 30 20 CHED CC1(C)CCCC[C@@H]1C/C(O)=N/[C@@H]1CCc2nc[nH]c2C1 328930321 HMKJBMCNICIRDV-CHWSQXEVSA-N 289.423 3.830 30 20 CHED O/C(=N/CC1CCCCC1)Nc1scnc1C1CC1 328902833 HBPFHZPFDZRNCS-UHFFFAOYSA-N 279.409 3.927 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cn1 49151526 KZDFHTHTXGPVLU-HWKANZROSA-N 281.142 3.623 30 20 CHED CC[C@H](/N=C(/O)c1coc(C2CCCC2)n1)c1ncc[nH]1 328718658 FYEXCDLFVVSMCI-NSHDSACASA-N 288.351 3.511 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(OC)c(C)c2)CCC1 191226378 AVMFZJVPPFGEDZ-UHFFFAOYSA-N 287.403 3.708 30 20 CHED O/C(=N/CCC1=CCCCC1)Nc1cccc2c1OCO2 329337725 QAGUCNDSMVHPHH-UHFFFAOYSA-N 288.347 3.632 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)CCc2ccccc2)c1 43986326 CRYHNLCDKPYJOU-HNNXBMFYSA-N 292.382 3.811 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(SC)cn2)no1 420516175 WUSYYPMHNPPSGH-AWEZNQCLSA-N 275.377 3.707 30 20 CHED N#Cc1cccc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 531472524 ORDRAJVFZAKWGB-GHMZBOCLSA-N 283.297 3.734 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)CCC1 190806970 XLQZOZNXPMYQKH-UHFFFAOYSA-N 281.359 3.762 30 20 CHED Cc1ccsc1C(=O)Nc1ccc(C#N)cc1Cl 225784376 MNQWPCWYXLEKAS-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccc(F)cc1)C2=O 48985523 TYJSWYMRZKLYQH-LCYFTJDESA-N 268.287 3.793 30 20 CHED CCN(CCC#N)Cc1cc(Cl)ccc1Cl 87759871 AUUYQJNPMOVITP-UHFFFAOYSA-N 257.164 3.729 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(C)Cc1cccc(C#N)c1 516391275 BPTXEHTXSWGXCH-RHSMWYFYSA-N 284.403 3.733 30 20 CHED Cc1cccc([C@H]2CCN(c3cc(C)ncc3C#N)C2)c1 425247791 PBRXUQIKIKOTHV-INIZCTEOSA-N 277.371 3.564 30 20 CHED CCCC[C@@H](C)N(C)C(=O)[C@@H](C#N)CCc1ccccc1 428158663 RLBQSSBNYMXXJF-NVXWUHKLSA-N 286.419 3.796 30 20 CHED C=CCOc1ccccc1C(=O)NC[C@H]1CCC[C@@H](C)C1 195622268 VLLOONIOXWBFPE-CABCVRRESA-N 287.403 3.808 30 20 CHED Cc1ccc(SCCC(=O)OCCCC#N)cc1C 194463898 RKUPLORUUKZDOU-UHFFFAOYSA-N 277.389 3.633 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3ccoc3c2)CC1 336168118 DURIJHXZLPUAFM-UHFFFAOYSA-N 270.332 3.863 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(F)c(F)c2)ccc1O 96792756 ZVVPHQHLRMLTEN-UTCJRWHESA-N 290.265 3.575 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@H]1CCO[C@H](C)C1 330187838 UCGVUHASNBDNMN-RISCZKNCSA-N 299.374 3.788 30 20 CHED N#C[C@H]1CC[C@H](NC2(c3ccc(Cl)cc3)CC2)C1 336170913 LGJXSUBMXASZDJ-FZMZJTMJSA-N 260.768 3.611 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1ccccc1Cl 330749990 AJBIANXTKKEZLV-CQSZACIVSA-N 264.756 3.973 30 20 CHED N#CC1(c2ccccn2)CCN(CC2CCCCC2)CC1 334233097 XHSIWEIOKPQAIU-UHFFFAOYSA-N 283.419 3.519 30 20 CHED N#Cc1ccc(NC(=O)c2sccc2C2CC2)cc1F 336041359 HUNGNUQEDLZDLA-UHFFFAOYSA-N 286.331 3.889 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1sccc1C 432565147 HLPLZONGEMJQEM-UHFFFAOYSA-N 280.437 3.800 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccoc2)s1 430614939 ANUFVTWGHBYVPE-JTQLQIEISA-N 274.345 3.524 30 20 CHED C=CCN(CCC#N)C[C@H](CCC)c1ccccc1 430091526 SUVGEVGRFMOCQQ-KRWDZBQOSA-N 256.393 3.972 30 20 CHED CC(C)C[C@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 245698702 CRXODUFAHOUEQZ-NVXWUHKLSA-N 286.419 3.845 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c(C)o1 345367723 FHUAVLWJDOWWRZ-CYBMUJFWSA-N 293.326 3.571 30 20 CHED CCCCCN(C(=O)c1ncc(C#N)cc1Cl)C(C)C 434922156 LSQMGJQWLUEQHB-UHFFFAOYSA-N 293.798 3.647 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1CC[C@@H](C)C1 345489838 RSAFPICGVXNKTO-GDBMZVCRSA-N 278.440 3.991 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)NC1(C#N)CCCCC1 523354822 OGHMFDHIMUUWMK-KGLIPLIRSA-N 262.397 3.545 30 20 CHED C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 248850147 FDJGMLRFLWQJAK-DYWXZXKOSA-N 297.402 3.699 30 20 CHED C[C@H](CC#N)N(C)CCOc1cccc(C(C)(C)C)c1 345919544 GXCODVLERPTFHY-CQSZACIVSA-N 274.408 3.597 30 20 CHED C[C@@H](CCC#N)CNC[C@H]1SCCc2ccccc21 602564498 SVXKUCNQBBIYJR-XJKSGUPXSA-N 274.433 3.546 30 20 CHED N#C[C@@H](NC(=O)C1CCC=CCC1)c1ccc(Cl)cc1 602095130 CWENNHDIEPUPKH-OAHLLOKOSA-N 288.778 3.767 30 20 CHED C[C@H](CN(C)CCOc1cccc(C#N)c1)c1ccccc1 524307495 GWQNFEQKKIIYKR-MRXNPFEDSA-N 294.398 3.673 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(CSCC#N)n1 341173132 NLSHWAKWPOBWJQ-GHMZBOCLSA-N 265.382 3.510 30 20 CHED CCCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C 248878346 RJJMPZPHUMRPKY-KFWWJZLASA-N 294.439 3.559 30 20 CHED CCCCCCCC(=O)NCC#Cc1ccccc1 248272780 QVRJTQCEIZJUPP-UHFFFAOYSA-N 257.377 3.515 30 20 CHED CSc1cccc(NC(=O)NCC(C)(C)CCC#N)c1 348153420 YCMIVQUSXKHINR-UHFFFAOYSA-N 291.420 3.860 30 20 CHED C[C@H](Sc1ccc(C#N)cc1F)C1CCOCC1 600528742 IQZRIJVSZUUBSB-JTQLQIEISA-N 265.353 3.605 30 20 CHED C=CCN(CCC#N)Cc1ccc(C(F)(F)F)cc1C 430088445 GYKXJLJJYNKRRD-UHFFFAOYSA-N 282.309 3.916 30 20 CHED CC(C)(CC#N)CNCc1ccc2ccc(F)c(F)c2n1 602692749 YUNCBQNOYGWTSE-UHFFFAOYSA-N 289.329 3.542 30 20 CHED CCn1cc(C(=O)/C=C\c2cc(Cl)ccc2F)cn1 255143834 WWKMDUQZDYZGEC-UTCJRWHESA-N 278.714 3.592 30 20 CHED N#CC1(CN(Cc2ccco2)Cc2cccs2)CC1 343247540 JPZMGCRANJHOAH-UHFFFAOYSA-N 272.373 3.647 30 20 CHED C[C@H](CCC#N)CN[C@@]1(C)CCCc2ccccc21 602547932 VBHYIPSXYBECFL-PBHICJAKSA-N 256.393 3.768 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1coc(SC)c1 602309918 WMKFSWBZLYJKSN-UHFFFAOYSA-N 280.393 3.546 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1cc(F)cc(F)c1 255639142 OQTQUFYVWWJVTO-IWQZZHSRSA-N 278.229 3.706 30 20 CHED CCc1nc2c(s1)[C@H](N(C)C[C@@H](C)CCC#N)CCC2 602480398 VXFMGLBINDKBHF-GXTWGEPZSA-N 291.464 3.955 30 20 CHED CC(C)c1cnc(-c2ccc(NC(=O)[C@H](C)C#N)cc2)o1 347124550 OYONSHJTVZGCHJ-LLVKDONJSA-N 283.331 3.563 30 20 CHED Cc1ccc2cccc(C(=O)NCC(C)(C)CCC#N)c2n1 345904690 KIDBEZVLBZQCAN-UHFFFAOYSA-N 295.386 3.603 30 20 CHED CCCCC1CCC(C(=O)N[C@H](CC)CC#N)CC1 54177360 FAHIQDFNQIJCOS-YMAMQOFZSA-N 264.413 3.791 30 20 CHED C=CC[C@H](C)NC(=O)NCC(C)(C)c1ccccc1C 604897584 MYFRHVLWBZZZJW-AWEZNQCLSA-N 274.408 3.536 30 20 CHED C=CCN(CCc1ccc2c(c1)CCO2)Cc1ccccc1 441271875 ZHMJURIHMLHMJW-UHFFFAOYSA-N 293.410 3.852 30 20 CHED Cc1cc(C)c2[nH]cc(C#N)c(=NCCC(F)(F)F)c2c1 525194804 QSVLDUAHTQWXOC-UHFFFAOYSA-N 293.292 3.510 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cc2ccccc2cc1OC 449548546 OLOOGDBVJOPXDG-MSOLQXFVSA-N 297.398 3.672 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1scnc1C)C2 255755281 OCIWFHWMIFLPIS-GHXNOFRVSA-N 255.342 3.582 30 20 CHED C[C@H](C#N)CN(C)C(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 447803404 ADHAINZFHLSGBJ-KFWWJZLASA-N 293.455 3.640 30 20 CHED C=CCCCNC(=O)N1CCC[C@H]1c1ccc(C)s1 448042668 KDEJNFBLNDYGCW-ZDUSSCGKSA-N 278.421 3.869 30 20 CHED Cc1cc(NC(=O)Nc2ccc(F)cc2C#N)c(C)cc1O 444919024 HZRJTGGLSDPYCK-UHFFFAOYSA-N 299.305 3.664 30 20 CHED CC(C)[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1 443508568 FUWAJGWNWQVCRY-GFCCVEGCSA-N 283.297 3.597 30 20 CHED C=CCCCC[C@H](C)NCC1(SC)CCN(C)CC1 449332668 DQWLXGJZAIWORK-HNNXBMFYSA-N 284.513 3.538 30 20 CHED N#Cc1ncccc1N[C@@H]1C[C@H]1c1cccc(Cl)c1 357666590 YVUSXCMNZDYQBP-GXTWGEPZSA-N 269.735 3.575 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CC)C1CCCCC1 604897660 USLPPVQMOLZPRH-JSGCOSHPSA-N 252.402 3.609 30 20 CHED N#C[C@H]1N(CCC2CCCCC2)CCC[C@]12CCCCO2 447916406 VFIFRJZUHQRUED-QZTJIDSGSA-N 290.451 3.884 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(C#N)c1 609034485 WYJLXUIAMLYSQO-DOTOQJQBSA-N 284.403 3.893 30 20 CHED C[C@H]1C[C@@H](C)N(Cc2cccc(OCCCC#N)c2)C1 536681492 JQOHSNPQNMMRHI-LSDHHAIUSA-N 272.392 3.599 30 20 CHED Cc1ccccc1C1CCN(c2cccnc2C#N)CC1 357232865 KBIHPZXFNHAKHE-UHFFFAOYSA-N 277.371 3.646 30 20 CHED C[C@@H]1CC(C(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1 355298310 IWQKVYPEBIGHOS-RYUDHWBXSA-N 256.349 3.569 30 20 CHED C=C(C)CCc1noc(-c2ccn(-c3ccccc3F)n2)n1 351620895 STWHGHNVJFGTEX-UHFFFAOYSA-N 298.321 3.570 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 610220176 BSUUZBRXPMWRRR-LLVKDONJSA-N 284.746 3.954 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCc1cccc(F)c1 611390081 ATIGEFRWGKTDRO-LJQANCHMSA-N 294.373 3.907 30 20 CHED C=CCC1(NC(=O)c2sccc2CC)CCCC1 619104613 QJRYTHYVYXWJFY-UHFFFAOYSA-N 263.406 3.929 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)C(C)(C)C 265210056 DWEYBBYMFYBCDK-LLVKDONJSA-N 274.364 3.578 30 20 CHED N#Cc1ccccc1/C=C/c1ccc2cccc(O)c2n1 533701814 AQZHRJRDEDJOHP-CSKARUKUSA-N 272.307 3.982 30 20 CHED C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1C 350083905 XIBYJZKONFSYCK-GFCCVEGCSA-N 290.436 3.583 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1OC(F)F)CC1CC1 533489876 QVZHTZSZANFIAL-UHFFFAOYSA-N 294.345 3.780 30 20 CHED C=CCCCC[C@@H](C)NCC1(CCO)CCCC1 449169444 DCKUFYYHJFOORF-OAHLLOKOSA-N 253.430 3.654 30 20 CHED CC[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 443507913 CEEPXKAWSSFQCL-SNVBAGLBSA-N 283.297 3.598 30 20 CHED CC(C)Oc1ccc(CCN[C@@H]2CCC[C@@H](C#N)C2)cc1 613255300 XDHBCFUVRYJEFA-IAGOWNOFSA-N 286.419 3.688 30 20 CHED CC#CCNC(=O)N1CCC[C@@H]1c1cccc2ccccc12 534235253 YSYYZRYODRUIJW-GOSISDBHSA-N 292.382 3.710 30 20 CHED C=CCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 617615230 DFGFFEPHWVGVBD-RYUDHWBXSA-N 284.186 3.789 30 20 CHED C[C@@H]1CCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 531207200 PRAJDDMOIOLJGF-MRXNPFEDSA-N 289.378 3.711 30 20 CHED C[C@H](NCCc1ccccc1F)c1ccc(C#N)c(F)c1 539602297 CHSNWHIPSADSNB-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C[C@H](C(=O)N[C@H](C)CC#N)c1ccc(Cl)c(Cl)c1 266911424 HLAFSHKXCQYZTH-BDAKNGLRSA-N 285.174 3.515 30 20 CHED N#Cc1ccc(NCc2ccc(F)c3cccnc23)cc1 361443193 PVWBZKOKKOWQRB-UHFFFAOYSA-N 277.302 3.858 30 20 CHED Cc1ccc([C@H](NCC(C)(C)CC#N)C2CC2)cc1 459735629 TZBVHQLEMWLSMM-INIZCTEOSA-N 256.393 3.976 30 20 CHED CC(C)CCOc1ccc(CN2CC[C@](F)(C#N)C2)cc1 615651572 UFUFVRJFYNUVKG-KRWDZBQOSA-N 290.382 3.549 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 455383586 KVPLIEXRIJAWLC-HOCLYGCPSA-N 286.419 3.991 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(CC#N)c1)C(C)(C)C 455917910 KIBZCQXTZLTYBP-CQSZACIVSA-N 273.380 3.699 30 20 CHED Cc1ccccc1NC(=O)N[C@H](C)c1cccc(C#N)c1 610316987 NCDMWLUOWXCIKY-CYBMUJFWSA-N 279.343 3.749 30 20 CHED CO[C@@]1(C)C[C@@H](N(C)Cc2ccc(C#N)cc2C)C1(C)C 614402364 VLAXEZLIKYENCA-AEFFLSMTSA-N 286.419 3.502 30 20 CHED C=CCC1(C(=O)N[C@@H](CCOC)c2ccc(C)o2)CCC1 276761083 GEQVMQQMGCVJOK-AWEZNQCLSA-N 291.391 3.528 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)C1CCCC1 618805562 IBYRGDVONIYIGZ-YVEFUNNKSA-N 254.377 3.714 30 20 CHED C=CCC1(C(=O)NCc2cc(C)cs2)CCCC1 452754555 HCLGSXWMCKXXSK-UHFFFAOYSA-N 263.406 3.809 30 20 CHED CC[C@H](N[C@H](CCO)c1ccccc1)c1ccc(C#N)cc1 278771123 PFMFVPCUXCOUIH-RBUKOAKNSA-N 294.398 3.723 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 617787232 JSVVRQGZWOWDLK-LLVKDONJSA-N 281.758 3.907 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1cc2cccc(F)c2o1 454852137 JCZSUTBPQLOIDU-LLVKDONJSA-N 290.338 3.898 30 20 CHED Cc1oc(-c2ccccc2)nc1CN1CCC[C@@](C)(C#N)C1 612161969 HOAQHRUFQYEKQT-SFHVURJKSA-N 295.386 3.776 30 20 CHED CCN(Cc1ccc(Cl)s1)[C@H]1CC[C@H](C#N)C1 278578709 JWSWCJCPMQYSFN-QWRGUYRKSA-N 268.813 3.916 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C)C(C)(F)F)c1ccccc1 452875170 SHOGYZBHYZNAAO-OCCSQVGLSA-N 281.346 3.896 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)NCC(C)(C)CC#N)c1 459264734 ZUVBVTKYKUSQMW-INIZCTEOSA-N 299.418 3.781 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 611392949 YGGYORGSNXNUFM-GTNSWQLSSA-N 295.386 3.891 30 20 CHED CCn1c(S[C@H]2CC[C@H](C#N)C2)nc2ccccc21 278547836 KWOJBQBMPVNCFZ-RYUDHWBXSA-N 271.389 3.841 30 20 CHED Cc1cccc(C)c1[C@H](C)NCCOc1cccc(C#N)c1 545518282 SOQMQBNUPCYBIH-INIZCTEOSA-N 294.398 3.905 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 540986609 ABGXWHLZYHRUIC-ZDUSSCGKSA-N 284.762 3.661 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC 620864766 NVVWHNITIASNDT-LSDHHAIUSA-N 287.403 3.660 30 20 CHED N#CCc1ccc(CN2CCc3ccc(Cl)cc3C2)cc1 543192916 VUBUEVCGHROSDB-UHFFFAOYSA-N 296.801 3.964 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](CC)CSC 540344138 CZKZHSWKJGOAPZ-CYBMUJFWSA-N 272.458 3.516 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](CC1CCCC1)C(C)C 546571806 XSDAIMODODAHPN-LSDHHAIUSA-N 264.413 3.647 30 20 CHED C=CCOCCN(C)Cc1ccccc1-c1ccccc1 549806768 RSYNMBFZXHKPDL-UHFFFAOYSA-N 281.399 3.988 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CCC1 450978880 GOXNPXOQFNDFAZ-KZNAEPCWSA-N 280.415 3.948 30 20 CHED Cc1ccnc(N2CCCC[C@H]2CC(C)C)c1C#N 543135382 HIRARUHPWSXYDX-AWEZNQCLSA-N 257.381 3.667 30 20 CHED C#CCCCC(=O)N[C@H](C)c1cc2ccccc2s1 277185237 HHBZELYCWAQXLL-GFCCVEGCSA-N 271.385 3.882 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CCCCC12CCCC2 360545568 LTNWFCGAGWVDGO-HNNXBMFYSA-N 286.375 3.693 30 20 CHED C=CCN(C(=O)Nc1ccc(OCCC)cc1)C1CC1 271360965 FJJJVJAAWFSPHP-UHFFFAOYSA-N 274.364 3.658 30 20 CHED C=CCN(C(=O)c1cccc2cccnc12)C(C)(C)C 622943064 MVTQYWFZAAZYIV-UHFFFAOYSA-N 268.360 3.662 30 20 CHED N#Cc1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12 543265734 MBIZUBIWWQRIDM-UHFFFAOYSA-N 299.280 3.558 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)CC(C)(F)F 276954079 CWQBSVQPNJZHMJ-SNVBAGLBSA-N 298.358 3.922 30 20 CHED N#CCc1ccc(NCc2cnc([C@H]3CCCO3)s2)cc1 273538314 ARPBOPPXOOPEKU-OAHLLOKOSA-N 299.399 3.673 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)C[C@@H](C)c1ccccc1 466366170 DEDLYHMMMJUHOQ-ZBFHGGJFSA-N 274.408 3.786 30 20 CHED C=CCCCCNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 548182919 CDRAABUKZJKEAU-JTQLQIEISA-N 280.334 3.619 30 20 CHED C=CCC1(C(=O)N2CCc3ncc(C)cc32)CCCCC1 623229266 SICJSWIXWUHEBF-UHFFFAOYSA-N 284.403 3.806 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 285583903 VIWMIUWHEQAAQC-PXAZEXFGSA-N 288.391 3.914 30 20 CHED Cc1ccncc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 370814487 KYYUHKCFTIYHDE-RTBURBONSA-N 291.398 3.662 30 20 CHED CC#CCCCC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 466660383 XLHCZXGRVVBTKO-STQMWFEESA-N 289.341 3.665 30 20 CHED CN(CCc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1)C1CC1 463234551 CQJFMJRXYWISAH-WMZOPIPTSA-N 297.446 3.818 30 20 CHED CC(C)n1cnc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 281212275 KXJMEINQSVECOH-UHFFFAOYSA-N 296.374 3.517 30 20 CHED N#Cc1cc(CN2CCC[C@@H]2Cc2ccccc2)ccc1F 468267565 FNAYWSBYVGJDCB-GOSISDBHSA-N 294.373 3.904 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)CCC[C@H]1C 466402418 WBJMUQUDMCZHTK-MCIONIFRSA-N 252.402 3.561 30 20 CHED C=CCCCCCCNC(=O)CCC(F)(F)F 286955428 IERZKEJDWXCVPG-UHFFFAOYSA-N 251.292 3.582 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 464396224 IDTDLWWTWDWFLQ-VDDIYKPWSA-N 297.185 3.720 30 20 CHED C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 461921168 TYTPVLDSKRFKAZ-ZQIUZPCESA-N 284.403 3.604 30 20 CHED Cc1ccc([C@@H](C)NCCCC2(C#N)CCOCC2)cc1 281929708 HWFJUWHJTZCTGU-MRXNPFEDSA-N 286.419 3.746 30 20 CHED CC#CCCCC(=O)N[C@H](C)[C@H](C)C1CCCCC1 466433912 LODSOFMGIWHXJW-LSDHHAIUSA-N 263.425 3.901 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(F)c2ccccc12 280393861 QRUNKZGKJCKUTA-HNNXBMFYSA-N 284.334 3.647 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(-c2nc(C)co2)ccc1C 288631959 RUMYTEIYCJEQBZ-QGZVFWFLSA-N 297.358 3.837 30 20 CHED CCCNc1ccccc1NC(=O)c1cc(C#N)oc1C 281270973 LFQVAOJZRISXJT-UHFFFAOYSA-N 283.331 3.534 30 20 CHED C[C@@H](Oc1ccc(-c2nnco2)cc1)c1cccc(C#N)c1 478785459 RFOREHQREPCEMZ-GFCCVEGCSA-N 291.310 3.748 30 20 CHED C=C(C)COc1cccc(NCc2ncc(C)o2)c1 638252461 VIGOZAGNQUMLRW-UHFFFAOYSA-N 258.321 3.550 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 476257935 WRPAAIYLZOKIEP-KGLIPLIRSA-N 290.794 3.847 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1 474192599 LEFQUFIGMFYYNN-LLVKDONJSA-N 279.330 3.888 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(C)c(Cl)c1 291891197 YKQHBTKWXPJDSQ-UHFFFAOYSA-N 277.755 3.582 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1C[C@@]1(C)C(C)C 476661215 QIHPEEOBTZODCH-RDJZCZTQSA-N 275.392 3.519 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(OC)c(O)c1 475282198 DXVVTYKTBOWCBS-UHFFFAOYSA-N 297.398 3.979 30 20 CHED N#Cc1cc(F)ccc1COc1ccc2c(c1)C(=O)CCC2 478873318 RUCQEIVQRAEPCQ-UHFFFAOYSA-N 295.313 3.795 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] 291114343 LQXBQFGCWKRTLC-SNVBAGLBSA-N 295.289 3.704 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC(C)(C#N)CC3)c2c1 291970513 OVWGRHNGJBCBKC-UHFFFAOYSA-N 290.370 3.545 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)c1ccc2n[nH]cc2c1 566314913 DCBUOIHBFWVGSM-WFASDCNBSA-N 257.381 3.958 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C)c1ccc(NC(N)=O)cc1 561016763 PQBHNNFGLHIBMA-KGLIPLIRSA-N 289.423 3.963 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@@H](C)[C@H](C)C1CCCCC1 560163394 RLYZNYYDQPGPQZ-KBPBESRZSA-N 299.418 3.596 30 20 CHED C[C@@H](Nc1cc(C#N)ncn1)c1cccc(Cl)c1Cl 569774175 SNRQYBIZNXFHHM-MRVPVSSYSA-N 293.157 3.828 30 20 CHED CCCCC[C@@H](C)NC(=O)NCC(C)(C)CCC#N 806283773 DQZLLJFFTPPHBM-CYBMUJFWSA-N 267.417 3.584 30 20 CHED C=CC[C@@H](C(=O)N1CC(C2CCCC2)C1)c1ccccc1 477903048 FQNKZTOPFXMSTJ-GOSISDBHSA-N 283.415 3.995 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1=C(C)OCCS1 806842428 LYWVJXNOVIWOCI-UHFFFAOYSA-N 295.448 3.576 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NC1(Cc2ccccc2)CC1 568151175 OTDRUQMMKZJWCT-UHFFFAOYSA-N 293.326 3.654 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)Cc2nc(Cl)ccc21 806579413 GJFIFGDVKFFUJV-VURMDHGXSA-N 291.684 3.836 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OCC)c(F)c1 473655988 FWEJQQRSSMCFFT-UHFFFAOYSA-N 280.343 3.702 30 20 CHED CCCCC/C(=C\c1ccccc1)CN1CC(O)(CC#N)C1 475111983 REOGIGZJKDJDSB-QGOAFFKASA-N 298.430 3.611 30 20 CHED CC(=O)c1ccc(C#N)cc1NCC(C)(C)CCC#N 808094046 ZFLHDFWMAHFSNV-UHFFFAOYSA-N 269.348 3.503 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC1(C)C 475322007 WYPVUFQIBBVWLG-ZDUSSCGKSA-N 286.375 3.722 30 20 CHED C=CCCCCNC(=O)C1(c2cccc(Cl)c2)CC1 471668801 SRALAUCLBWZGDF-UHFFFAOYSA-N 277.795 3.844 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@H]1CSc3ccccc31)CC2 563296369 TZVCZTULLPOEHE-SJORKVTESA-N 292.407 3.982 30 20 CHED C=CCOCCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 470775545 ZFQKSLJJVWKSQU-PBHICJAKSA-N 277.383 3.801 30 20 CHED CC(C)(C#N)CCCNc1ccccc1OCCF 297529464 DMZFPAIMQVZYPX-UHFFFAOYSA-N 264.344 3.777 30 20 CHED C=CCCC[C@H](C)NC(=O)COC[C@H](C)c1ccccc1 649903150 JUMXTVVOSGLSRY-HOTGVXAUSA-N 289.419 3.668 30 20 CHED Cc1cccc(C)c1CCNc1ccc(C#N)c([N+](=O)[O-])c1 564560457 DLQFERRVPSYKNM-UHFFFAOYSA-N 295.342 3.738 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@@H](C(C)C)CC1 642699333 AOVKLWSLMVFKAT-OAHLLOKOSA-N 290.455 3.679 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NOCCSC 814922156 WYXAUDPNHVBJKI-GOEBONIOSA-N 293.432 3.705 30 20 CHED CCC(Cc1ccc(C)cc1)=NNC[C@H]1CCSC1 811660430 MUKOTOAIGHHMLK-OAHLLOKOSA-N 276.449 3.646 30 20 CHED C#C[C@@H](C)N(C)C/C(C)=C/c1ccccc1OC(F)F 811495964 NHEZQELITFQUKD-RSKUSDAESA-N 279.330 3.645 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1c(C)cccc1F 814905044 MAAUHHHXRSXEJV-UHFFFAOYSA-N 278.327 3.567 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnc(Cl)cc1C 819393049 KSBGFRDIXYNJSN-UHFFFAOYSA-N 252.745 3.584 30 20 CHED CC(C)[C@@H]1CC(=NNCc2cnc3ccccc3c2)CS1 814877507 YAUISQJDGVKJCJ-KRWDZBQOSA-N 299.443 3.842 30 20 CHED C#C[C@H](NC(=O)NCCC1CCC1)c1ccc(Cl)cc1 811893681 OIQLHAGSBKGWJC-HNNXBMFYSA-N 290.794 3.504 30 20 CHED C#C[C@H](NC(=O)N(C)C(C)(C)CC)c1ccc(Cl)cc1 810099772 OLIBMNNTKHZRBQ-AWEZNQCLSA-N 292.810 3.844 30 20 CHED CC(=NOCCC1CC1)[C@H]1CCN(Cc2ccccc2)C1 814246006 RKOFWTLSLQAPJC-SFHVURJKSA-N 286.419 3.701 30 20 CHED N#CCCN(C(=O)C1CC2(CCC2)C1)c1ccc(F)cc1 566974722 HJTHANAPIODJDA-UHFFFAOYSA-N 286.350 3.653 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1coc2ccccc12 488893586 VSGVRFMVALJVDI-MRXNPFEDSA-N 257.333 3.651 30 20 CHED Fc1c(Cl)cccc1NN=C1COc2ccccc21 814818686 DQOGOVVGJKLTDP-UHFFFAOYSA-N 276.698 3.688 30 20 CHED C=CCC1(NC/C=C/c2ccc(F)cc2F)CCOCC1 657633077 FSXILMFMABERMR-ONEGZZNKSA-N 293.357 3.693 30 20 CHED C=CCCn1cc(CN(Cc2ccccc2)[C@H](C)CC)nn1 653489169 LEYBYBBODOWEHE-MRXNPFEDSA-N 298.434 3.655 30 20 CHED C=CCCCCCN(C)Cn1nc(C(F)(F)F)cc1C 811749800 YTZHIZGGALLLPS-UHFFFAOYSA-N 289.345 3.846 30 20 CHED CC(=NNCCC(F)(F)F)c1cccc(C2CC2)c1 814920162 CJZZTBOURPGVEG-UHFFFAOYSA-N 270.298 3.830 30 20 CHED CCCCCCCC(=O)N1C[C@H](CO)Cc2ccccc21 816783531 VWLSOMVEFCKAON-OAHLLOKOSA-N 289.419 3.545 30 20 CHED CC[C@H](C=NN=c1cc[nH]cc1Cl)c1ccccc1 814870341 XZXUZJVCZUEYOE-GFCCVEGCSA-N 273.767 3.748 30 20 CHED Fc1cccnc1NN=C1CC[C@@H](c2ccccc2)C1 814927412 NJFWGPALNSIUNX-CYBMUJFWSA-N 269.323 3.956 30 20 CHED Cc1sc(NC(=O)C2Cc3ccccc3C2)c(C#N)c1C 573519322 SJKZWKDMANIMCS-UHFFFAOYSA-N 296.395 3.590 30 20 CHED C[C@@H](CN(C)C(=O)c1cccc(F)c1C#N)c1ccccc1 488369937 UDCFZLZNMSJDOF-ZDUSSCGKSA-N 296.345 3.573 30 20 CHED CC(C)[C@H]1CC(=NNc2ccc([N+](=O)[O-])cc2)CS1 814682786 QXPOIOPCXVUQPW-CYBMUJFWSA-N 279.365 3.524 30 20 CHED C#C[C@@H](NC(=O)C1(CC=C)CCC1)c1ccc(Cl)cc1 811948017 VRXCPIROTJGVOE-OAHLLOKOSA-N 287.790 3.877 30 20 CHED C=CC[C@H](C)C(C)=NNc1nc2cc(F)c(F)cc2[nH]1 727778571 MTQRNDRSWWGCTE-QMMMGPOBSA-N 278.306 3.841 30 20 CHED C=CCCCCCCCNC(=O)NC1C[C@@H](C)O[C@H](C)C1 811900166 RAXMOLAFANLHDI-HUUCEWRRSA-N 296.455 3.768 30 20 CHED N#CC1(CNC(=O)N(c2ccccc2)c2ccccc2)CC1 576687719 QUNQYHPDKRHAPX-UHFFFAOYSA-N 291.354 3.838 30 20 CHED C=CCC1(NCc2ccc(C(F)F)cc2)CCOCC1 657633120 HRSVNJRJQCBIMG-UHFFFAOYSA-N 281.346 3.839 30 20 CHED CCOc1ccc(NN=Cc2ccc(F)cc2F)cc1 814985275 ZNZLQKRUYBNMSP-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C=CCCCCCSCc1ccc(C(N)=O)cc1 485589067 LMNHWKYZASMHAK-UHFFFAOYSA-N 263.406 3.765 30 20 CHED COCCC(C)=NNc1cc(C)c2ccc(C)c(C)c2n1 814769897 XDIKGLYIILZMLG-UHFFFAOYSA-N 285.391 3.984 30 20 CHED COCCCON=C(C)Cc1c(Cl)cccc1Cl 814931467 USQMQQHIXXHHBG-UHFFFAOYSA-N 290.190 3.965 30 20 CHED Cc1ccc(N2CCN([C@@H]3CC[C@H](C#N)C3)[C@H](C)C2)cc1C 815057604 VWVDZRHNTQPURW-ZIFCJYIRSA-N 297.446 3.506 30 20 CHED C=CCn1cccc1C(=O)N[C@H](c1cccs1)C1CC1 490106270 SULLRHBIANXXBL-HNNXBMFYSA-N 286.400 3.617 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(F)c(F)c1 491307885 RSVRFLWGUWHHDB-UHFFFAOYSA-N 277.314 3.789 30 20 CHED CCOCOc1ccc(CNc2cccc(CC#N)c2)cc1 825147350 DQZUNVREPMIOOW-UHFFFAOYSA-N 296.370 3.738 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N(C)C[C@H](C)C#N 499100507 PNHKQRWDTFKMQZ-ZBFHGGJFSA-N 278.440 3.991 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1C[C@@H]1c1sccc1C 490081494 AYSAASVBYAPRRO-STQMWFEESA-N 277.433 3.879 30 20 CHED N#C[C@H](C(=O)/C=C\c1ccccc1)c1cnc2ccccc2n1 588587840 WAAGTQCVTVFLNL-WOLCWHLNSA-N 299.333 3.519 30 20 CHED CC[C@H](C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 728617237 ZWMFDXOSDJSBNR-KRWDZBQOSA-N 297.329 3.934 30 20 CHED CSc1ccc(NC(=O)C#CC(C)C)cc1Cl 829570989 SOPCQYUIUGIDAN-UHFFFAOYSA-N 267.781 3.660 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCC[C@@H]1CCC)C(C)C 728399785 HNYORTQDNOVHPV-LSDHHAIUSA-N 266.429 3.951 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ncc(C)o1 494348462 MIUOPJHSFGFBEC-UHFFFAOYSA-N 296.779 3.526 30 20 CHED C=C(C)C[C@H](NC(C)=O)c1nc([C@H]2CCCC[C@H]2C)no1 664782345 LFAGQTYLXMZOLZ-XBFCOCLRSA-N 291.395 3.507 30 20 CHED C=CCC1(NC(=O)Nc2ccc(OC)cc2)CCCC1 664404451 WOXHCWTYENSPRS-UHFFFAOYSA-N 274.364 3.706 30 20 CHED Cc1cc(C)cc(NN=Cc2cnn(C(C)C)c2)c1 732711522 OMGRKLYENGCTCC-UHFFFAOYSA-N 256.353 3.527 30 20 CHED C#C[C@H](NC(=O)N(C(CC)CC)C1CC1)c1ccccc1 820600271 VNIGAMCRBUBXJS-KRWDZBQOSA-N 284.403 3.724 30 20 CHED Cc1ccc(C)c(NN=Cc2sc(C)nc2C)c1 736426470 DDKFEMORUPEBAY-UHFFFAOYSA-N 259.378 3.823 30 20 CHED C=C(Br)CN1CCc2ccccc2[C@H]1CC 734058602 UCSNJCJVHMMLCO-CQSZACIVSA-N 280.209 3.904 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)CC2CCCC2)c1 733931529 AWSZVZPCMFGEAI-AWEZNQCLSA-N 269.388 3.847 30 20 CHED C=CC1CCN(C(=S)N[C@H](C)c2ccccc2)CC1 731942048 FMUAYUGXMDQGSX-CYBMUJFWSA-N 274.433 3.520 30 20 CHED C=C1CCN(C(=O)c2ccccc2OCC(C)C)CC1 731343702 GEXXTVKWWYMTMX-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C#CCOc1ccc(NC(=O)NC2CCCCCC2)cc1 731113334 RJNPUUMUAYAUEM-UHFFFAOYSA-N 286.375 3.543 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCc1ccccn1 905105368 ZQVOKBWYZQWKGJ-ZDUSSCGKSA-N 283.400 3.945 30 20 CHED C=CC(C)(C)CC(=O)N(CCC#N)c1ccc(C)cc1 900417213 IAGIUQFKCVWPBG-UHFFFAOYSA-N 270.376 3.844 30 20 CHED O=C(/C=C\c1cc(C(F)(F)F)ccc1F)c1cnccn1 734750907 AKSVXQQXZWKQIE-RJRFIUFISA-N 296.223 3.531 30 20 CHED Cc1cc(C(F)(F)F)ncc1NCc1ccc(C#N)s1 589597245 CIHBYEJGNYBACK-UHFFFAOYSA-N 297.305 3.954 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C1 839044131 PIHCVGARFFVYPU-GXFFZTMASA-N 297.276 3.945 30 20 CHED CC[C@H](NC(=O)C#CC(C)(C)C)c1ccc(C)cc1 837312272 ASVOHUAUVHDYJJ-HNNXBMFYSA-N 257.377 3.612 30 20 CHED C=CCC1(C(=O)OCc2nc(C3CC3)no2)CCCCC1 838151611 NEKCPKQLBIBOHF-UHFFFAOYSA-N 290.363 3.517 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(OC2CCCC2)cc1 736956771 XKCRUAVHIHWWEL-UHFFFAOYSA-N 294.782 3.882 30 20 CHED N#Cc1c(Cl)nsc1Nc1ccc(NC(=O)O)cc1 833761336 VWEKIBWWVVKTJM-UHFFFAOYSA-N 294.723 3.502 30 20 CHED C/C(=C(\F)C(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 900123937 HRZGJZINFJXAMR-SFQUDFHCSA-N 298.361 3.703 30 20 CHED N#C[C@]1(C(=O)OCc2sccc2Cl)CC12CCCC2 837902784 OJGUFKHWNISQEI-AWEZNQCLSA-N 295.791 3.919 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 831513797 HKEVUKYNQAIJDT-HNNXBMFYSA-N 271.404 3.517 30 20 CHED Oc1ccccc1/C=N\[C@H]1CSc2ccccc21 735414940 ODOBKPYISGAJFT-LWLPBDFMSA-N 255.342 3.658 30 20 CHED C=C(Br)CN1CCc2cccc(F)c2[C@@H]1C 738882797 VSSSEIGRXJTIGO-JTQLQIEISA-N 284.172 3.653 30 20 CHED CC(C)C1CCC(=NN[C@H](C)C(F)(F)F)CC1 834999448 FTFWNZRQHBQDMV-YHMJZVADSA-N 250.308 3.729 30 20 CHED CC[C@@H](N[C@@H]1CCCC12CCOCC2)c1cccc(C#N)c1 902981440 OJEKSPVJGVYIBU-QZTJIDSGSA-N 298.430 3.948 30 20 CHED CC(C)[C@@H]1CCCC(=NN[C@@H](C)C(F)(F)F)C1 834998513 UXZMOTSWAUAPJR-VHSXEESVSA-N 250.308 3.729 30 20 CHED Cc1cccc(C)c1CN(C)CCOc1ccccc1C#N 738311679 HUHZLUNEDSPZDB-UHFFFAOYSA-N 294.398 3.686 30 20 CHED CC(C)c1ncc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)s1 839059125 YWQSSPIEALCGEY-MNOVXSKESA-N 278.377 3.506 30 20 CHED C#CCOc1cccc(NC(=O)CCCc2ccccc2)c1 730980099 RMVIYIJVYIWKID-UHFFFAOYSA-N 293.366 3.660 30 20 CHED CCn1cc(/C=C2/CCCc3ccccc3C2=O)cn1 732529240 RXVJAHREHBGQKB-GDNBJRDFSA-N 266.344 3.506 30 20 CHED C=C[C@@](C)(CC)C(=O)OC[C@@]1(C)CC1(Cl)Cl 837658947 RCXVRULJBNXBCP-WDEREUQCSA-N 265.180 3.716 30 20 CHED C=CC(C)(C)COC(=O)CCC(=O)c1ccc(F)cc1F 835726635 SUQIHZVIWPJEIX-UHFFFAOYSA-N 296.313 3.683 30 20 CHED CC(CC(C)(C)C)=NNc1cc(C#N)cc(Cl)n1 834967855 XCEVFDGOCVFNBJ-UHFFFAOYSA-N 264.760 3.831 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H](C)SCc1ccccc1 839033720 HQOQUGYFKGRQRU-ZIAGYGMSSA-N 276.401 3.653 30 20 CHED COc1ccc(C=NN[C@@H]2CCc3c(F)cccc32)s1 835019569 CPELQKQNSAYVCO-CQSZACIVSA-N 290.363 3.507 30 20 CHED Cc1c(C(=O)O)oc2c1C(=NOCc1ccccc1)CCC2 915960176 SYWZAJRHCIQNLI-UHFFFAOYSA-N 299.326 3.543 30 20 CHED C=C(Br)COC(=O)[C@@H](CC)c1ccccc1 918837594 YZDLUCSTAGNQAY-LBPRGKRZSA-N 283.165 3.632 30 20 CHED Fc1ccccc1-c1ncc(C=NNC2CCCC2)s1 834954761 UZOLMWJZCLVTQE-UHFFFAOYSA-N 289.379 3.815 30 20 CHED C=CCN(C(=O)c1ccc(C(F)(F)F)cc1)C(C)C 914683557 SHZMSIYZJCOHNU-UHFFFAOYSA-N 271.282 3.742 30 20 CHED C=CCNC(=O)Nc1ccc(-c2ccccc2)cc1F 915351042 RBVOUPSCYUKFBM-UHFFFAOYSA-N 270.307 3.800 30 20 CHED FC(F)(F)c1ccccc1NN=Cc1cscn1 918707509 JRVFMAFYSFRQQQ-UHFFFAOYSA-N 271.267 3.608 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SC1CCCCC1 597011550 CKLZRVCGDVIBCP-CYBMUJFWSA-N 269.454 3.865 30 20 CHED CCOc1cccc(/C=N\[C@@H]2C[C@@]2(C)c2ccccc2)c1O 741464659 QINDJPDCAWADRV-HUGLALDMSA-N 295.382 3.940 30 20 CHED CCCC(=NOCc1cccnc1)c1cccc([N+](=O)[O-])c1 746587155 GZEAGBJSYFXCGL-UHFFFAOYSA-N 299.330 3.711 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1coc2ccc(Cl)cc12 845459328 ODIPSEKVBCZWOD-ZDUSSCGKSA-N 277.707 3.791 30 20 CHED C=C(Br)CN(C)Cc1cc2ccccc2o1 747532421 XQIBJXVVOJBAME-UHFFFAOYSA-N 280.165 3.773 30 20 CHED CC(=NNc1nncc2ccccc12)C1CCCCC1 915909418 GYORBLZZYCBDDS-UHFFFAOYSA-N 268.364 3.998 30 20 CHED COc1ccc(CNCC[C@H]2CCCC[C@@H]2C)cc1C#N 742371085 HPEBTIGUNRDXPP-GOEBONIOSA-N 286.419 3.873 30 20 CHED Fc1ccc2c(c1)C(=NNc1cnc3ccccc3n1)CC2 748788640 UUAUWFACCPYTPW-UHFFFAOYSA-N 292.317 3.531 30 20 CHED CCCn1nccc1CN(CC)[C@@H](C)c1ccc(C#N)cc1 596983499 APXYVDBBORIGFY-HNNXBMFYSA-N 296.418 3.748 30 20 CHED C=CCC1(C(=O)OC[C@H](CC)CC(F)F)CCC1 845762492 JXEJAUZRSHUUIW-LLVKDONJSA-N 260.324 3.957 30 20 CHED C=C1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 595460231 QKUOBMKOARAMQD-UHFFFAOYSA-N 275.348 3.833 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 917999972 FAGSYADILNFHPO-GFCCVEGCSA-N 295.383 3.649 30 20 CHED CC#CCCOC(=O)c1csc(C2CCCCC2)n1 840664440 FLHDBNHPLDQGLW-UHFFFAOYSA-N 277.389 3.761 30 20 CHED CCO[C@@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)C[C@H]1C 595527577 VMEMSNFVJGODQX-UHOFOFEASA-N 292.810 3.652 30 20 CHED C=CCC[C@H](C)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C 843415188 BFSDRPUSSUEPST-BFHYXJOUSA-N 284.444 3.623 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1NCC1CCCCCCC1 917092849 DYAWSGZPFIUFAM-UHFFFAOYSA-N 288.351 3.634 30 20 CHED C[C@H](C/N=C\c1cc2ccccc2nc1O)CC(F)(F)F 840714152 XPOJFCGNFFKCFZ-OVNPTBDBSA-N 296.292 3.948 30 20 CHED CC(C)(C#N)CCCn1ccnc1[C@@H](O)C1CCCCC1 849948487 RMRXAQSBMJHLFW-HNNXBMFYSA-N 289.423 3.827 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1ncc(C)s1)C2=O 848642532 HLSFFWBQTXAPNV-NTUHNPAUSA-N 269.369 3.891 30 20 CHED CCC(=O)Nc1ccc(C)c(N=Cc2cccc(O)c2O)c1 915979677 ROBFMEGBCUXEBW-UHFFFAOYSA-N 298.342 3.505 30 20 CHED CCc1nc(S[C@H]2CC[C@H](C#N)C2)sc1C 845326232 JEBSSJQPVZLTJW-UWVGGRQHSA-N 252.408 3.798 30 20 CHED C#CCOc1ccc(CNC[C@H](C)Cc2cccs2)cc1 742376024 ZENXIKCXVJEDRP-OAHLLOKOSA-N 299.439 3.729 30 20 CHED C[C@@](C#N)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CCCCC1 593106096 OJRRIYFESRAINO-KKBFJZEXSA-N 286.419 3.567 30 20 CHED Cc1ccc(C)c(NC(=S)NN=Cc2occc2C)c1 743423719 VDGUCERRRLNUAB-UHFFFAOYSA-N 287.388 3.525 30 20 CHED CC(=NNc1ccc(Cl)nn1)[C@H]1C[C@H]2C=C[C@H]1CC2 842519540 NYEPPTAOVYNPQJ-SDDRHHMPSA-N 276.771 3.520 30 20 CHED C[C@H](C#N)N(C(=O)c1cc(Cl)sc1Cl)C1CC1 598128007 WZUNDQKNPXHLOH-ZCFIWIBFSA-N 289.187 3.572 30 20 CHED CCCCCCCCOCC(=O)N[C@@H]1CC=CCC1 741568840 LUHRICQGAQPWBW-OAHLLOKOSA-N 267.413 3.588 30 20 CHED CCCCCCCCOCC(=O)Nc1ccc(O)cc1 747926763 WKHLYFMYMUEADC-UHFFFAOYSA-N 279.380 3.708 30 20 CHED C=CCCCCCCCCN[C@@H]1C[C@@H](C)n2ncnc21 926426660 LRFPIUNYBSUSDQ-HUUCEWRRSA-N 276.428 3.790 30 20 CHED COc1cccc([C@@H]2C[C@H]2CN[C@@H](C)CC(C)(C)C#N)c1 926596664 VXLORDPKTNBZEG-QRTARXTBSA-N 286.419 3.717 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 753588764 ZWRTXWUEPTZZMT-AWEZNQCLSA-N 299.201 3.825 30 20 CHED C=CCCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 757106341 FNQNTPLLPOPNQU-LSDHHAIUSA-N 296.455 3.578 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C/c1ccsc1 851213505 HOTNSQQZYPVUOC-ZWNMCFTASA-N 263.362 3.633 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)OCc1ccc(C#N)cc1F 920731342 VTOVCSKMEZPOQZ-OCCSQVGLSA-N 289.350 3.957 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 757576289 CRUBAIXSWSCUAR-OIISXLGYSA-N 269.388 3.694 30 20 CHED C=C[C@H](OC(=O)CC[C@@H](C)SC)c1ccccc1 851451242 GGODPKRARACMAA-OCCSQVGLSA-N 264.390 3.989 30 20 CHED CCC(C#N)(CC)C(=O)NCc1ccc2ccccc2c1 858346216 YRCYEQZSKDFWOS-UHFFFAOYSA-N 280.371 3.786 30 20 CHED CC1(C)C(=NNc2cnc3ccccc3n2)[C@H]2CCC[C@H]21 853300524 RQHFBWMKHOXIJV-NWDGAFQWSA-N 280.375 3.854 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ccccn1 920364857 JKHPFGMNVYKAMA-UHFFFAOYSA-N 253.349 3.811 30 20 CHED N#Cc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)o1 757702458 DNLMDMOUQTXMMM-MRXNPFEDSA-N 294.354 3.687 30 20 CHED O=[N+]([O-])c1ccccc1NN=C[C@H]1C[C@H]1c1ccccc1 755466274 YGBGGPQIPMUAQK-KGLIPLIRSA-N 281.315 3.796 30 20 CHED C#CC[C@@H](NCc1ccc(F)c(C)c1)c1ccccc1 756995829 KKTDISXUQPALOO-GOSISDBHSA-N 267.347 3.988 30 20 CHED Clc1ccccc1CNN=C/C=C\c1ccco1 920373747 OIUORDGIMDCGKF-ZCTXJBCCSA-N 260.724 3.722 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(CCN(C)C)cc1 926078210 UZVDRCAYJJQGDV-CQSZACIVSA-N 273.424 3.531 30 20 CHED COc1ccc(NN=Cc2cscc2Cl)cc1 750946788 ZWTCRTPVHSYWMB-UHFFFAOYSA-N 266.753 3.856 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cc1cscn1 853131138 BDXRBDDJLXVZGM-KWCYVHTRSA-N 279.405 3.610 30 20 CHED CC(CCCc1cccnc1)=NN1CCCC[C@@H]1C 853381681 IYCLMOIEZCOJPO-HNNXBMFYSA-N 259.397 3.655 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)CCc1cccnc1 851143910 OLNPEXCSSRXZNO-JKSUJKDBSA-N 273.376 3.692 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCc2cc(F)ccc21 851201725 BPJFHWBSWYORMA-XHDPSFHLSA-N 289.350 3.727 30 20 CHED N#CC1(OC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CCC1 850882403 XXFHYMZIJCIKFQ-HZPDHXFCSA-N 283.371 3.635 30 20 CHED C(=NO[C@H]1CCCCO1)c1ccc(N2CCCCC2)cc1 755817068 JAZUOMHNFYGCCE-KRWDZBQOSA-N 288.391 3.554 30 20 CHED C=C(C)[C@@H](C)OC(=O)/C=C\c1ccc2[nH]ccc2c1 755998997 BYZGMYQYMCGYOZ-SMYYYNMVSA-N 255.317 3.689 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC(C)(C)C1 851204946 BESBXVCFMPORAV-NEPJUHHUSA-N 251.370 3.684 30 20 CHED Cc1cc(OC(=O)c2ccc(Cl)c(C#N)c2)ccc1C#N 765091922 PNLGMXRIKZNXRY-UHFFFAOYSA-N 296.713 3.611 30 20 CHED N#Cc1ccc(F)c(CNc2nc3cccc(F)c3o2)c1 864009718 RFTQOOCKVUEUII-UHFFFAOYSA-N 285.253 3.590 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC(F)F)cc1F 935799586 NBLWYTJRBNZTSA-SECBINFHSA-N 287.281 3.512 30 20 CHED CC1(C)CCC/C(=C\c2ccc(F)c(C(=O)O)c2)C1=O 863186622 FHIKLTXWUHMWRQ-DHZHZOJOSA-N 276.307 3.687 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](F)c1ccccc1 769367204 BWBWXZAATXIUAY-SFHVURJKSA-N 297.373 3.955 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC(C)(C)C1)C1CCCCC1 769019139 APZOXNCAXBVXOC-CQSZACIVSA-N 276.424 3.543 30 20 CHED CC(C)c1cccc(C(=O)/C=C/c2cnc(N(C)C)nc2)c1 863196183 YMNUQMGOCAUJJD-CMDGGOBGSA-N 295.386 3.562 30 20 CHED Cc1sc(NC[C@@H](C)C#N)nc1-c1ccc(F)cc1 865568503 RRILKUQCAUTNKG-VIFPVBQESA-N 275.352 3.829 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCSC1 762054248 CWEFLVPPUXJCLR-UONOGXRCSA-N 271.470 3.852 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2cccc(Cl)c2)c1 766503409 XBDQMORWGIFVGU-AATRIKPKSA-N 290.702 3.616 30 20 CHED CC(C)CN(CCC#N)Cc1ccc2[nH]ccc2c1 862212149 HIBYYAYVONXUHE-UHFFFAOYSA-N 255.365 3.540 30 20 CHED C[C@H](CCc1ccc(F)cc1)NCc1ccc(C#N)cc1 765015124 PNKUOYYWNWACED-CQSZACIVSA-N 282.362 3.808 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1cc(C#N)ccc1F 761494125 OTKMQHZBWFYDBP-NSHDSACASA-N 277.339 3.813 30 20 CHED CSc1ccc(C(=O)OCCCCC(C)(C)C#N)o1 768692732 IVNXCXSYHFHHAO-UHFFFAOYSA-N 281.377 3.878 30 20 CHED CC(C(=O)OCc1ccc(C#N)cc1C)=C1CCCC1 765956872 AMHKFRCJWDCSSU-UHFFFAOYSA-N 269.344 3.800 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc3c(c1)ncn3C)C2=O 761201393 SQQVBQPQTYSHGU-RIYZIHGNSA-N 288.350 3.704 30 20 CHED Cc1c(C(=O)N[C@@H]2CC23CCC3)sc2ccc(C#N)cc12 874779106 WZZNWFDAIYXYTH-CQSZACIVSA-N 296.395 3.754 30 20 CHED C=CCC1(C(=O)Nc2cc(C(F)(F)F)no2)CCCC1 1119379914 OASFXNQFLUQDOO-UHFFFAOYSA-N 288.269 3.768 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1F 776727558 ZWQMIMRIILVGOE-FPYGCLRLSA-N 296.257 3.502 30 20 CHED COC[C@H](C)NN=C(C)c1cc2c(ccc3ccccc32)o1 777902332 JRIGJIHGYOMTSV-LBPRGKRZSA-N 296.370 3.935 30 20 CHED Cc1cccc([C@H](C)OC(=O)Cc2ccccc2CC#N)c1 776935130 MMRBAVGQUOABQQ-HNNXBMFYSA-N 293.366 3.908 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CC12CCC2 874780777 OBJBKHPXDMVOTP-AWEZNQCLSA-N 273.401 3.637 30 20 CHED Cc1cc(C=NNc2nccnc2Cl)ccc1Cl 779775911 JRQJUFDYJOLQTJ-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(CC(F)(F)F)CC1 879907890 CFHWVXCIEKCTGX-UHFFFAOYSA-N 277.330 3.780 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc2c(c1)COC2 1116482467 GVLUYQWUUQCMJZ-CYBMUJFWSA-N 294.354 3.792 30 20 CHED O=C(/C=C\c1nc2c(s1)CCCC2)c1sccc1O 773147827 CSUCBLZNDMDJJQ-WAYWQWQTSA-N 291.397 3.685 30 20 CHED C=CC[C@H]1N(C(=O)N[C@@H](C)CCSC)CCCC1(C)C 770675788 QOCHIROGBNDKCL-UONOGXRCSA-N 298.496 3.904 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 1116621471 VUZXNOYBVWHUHW-DZGCQCFKSA-N 277.408 3.716 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc2c(c1)ncn2C 774819801 KGRBPNOPWYIZFV-CQSZACIVSA-N 271.408 3.798 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1)c1cscn1 776191706 JOIFGJDJEMUUGD-ZPUQHVIOSA-N 259.305 3.735 30 20 CHED CC(C)(C)c1ccccc1C(=O)OCc1ccnc(C#N)c1 771620888 IBLQELWUKUNRDO-UHFFFAOYSA-N 294.354 3.608 30 20 CHED CCCCSCCC(=O)OCc1ccc(CC#N)cc1 776114125 WKHUVLVZEJVWAG-UHFFFAOYSA-N 291.416 3.719 30 20 CHED C=Cn1cc(C=NNc2cccc3ccccc23)cn1 773056293 XFJUTMOKXYXDAZ-UHFFFAOYSA-N 262.316 3.583 30 20 CHED CCOc1cccc(/C=C\C(=O)c2sccc2O)c1 771744404 KXEXVQKTHQRFQA-SREVYHEPSA-N 274.341 3.749 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1-c1ncco1 889015248 CTBZVYSXVKBLHT-LBPRGKRZSA-N 285.347 3.818 30 20 CHED C[C@H](C(=O)O[C@H](C#N)C1CCCCC1)c1cccs1 776385409 DRVAXPSQGLCZMC-WCQYABFASA-N 277.389 3.867 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)CC(C)(C)OC)c1cccs1 1123009915 NDOUHGSCNRYHDY-FZMZJTMJSA-N 295.404 3.697 30 20 CHED C=CCN(C)C(=S)Nc1ccc(CCCC)cc1 777472068 YIVOSUAANNXLQJ-UHFFFAOYSA-N 262.422 3.844 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)C1(C#N)CCCC1 1129734011 NEBBIOSLNJASMQ-GJZGRUSLSA-N 276.424 3.793 30 20 CHED CCOc1ccccc1C=NN[C@H]1CCCC1(C)C 782302904 VFOBFTOJVZXLQF-HNNXBMFYSA-N 260.381 3.588 30 20 CHED CN(C(=O)c1ccsc1Cl)c1ccc(C#N)cc1F 1125663631 YRUPVQFMAGFDLB-UHFFFAOYSA-N 294.738 3.689 30 20 CHED C=CCC[C@H](CC)NC[C@@H](O)c1cc(F)cc(Cl)c1 787024081 FTWYOEQLCYXWOB-LSDHHAIUSA-N 285.790 3.847 30 20 CHED C[C@H](OC(=O)C12CCC(CC1)C2)c1cccc(C#N)c1 784865653 ZEUNZQZOQYZXON-POZPTJLLSA-N 269.344 3.743 30 20 CHED C=CCCCC(=O)N(CC(C)(C)C)c1ccccn1 891497815 MWCBVYFCZAAMNV-UHFFFAOYSA-N 260.381 3.817 30 20 CHED CNc1ccccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 782037181 WICKJAJZHLNQDX-GFCCVEGCSA-N 280.327 3.518 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](CC(F)(F)F)C(C)C)c1 782697151 XMVMIMBMFOEHAA-CYBMUJFWSA-N 298.308 3.766 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)C1 896503740 MMJXEVJEMYATPJ-CYBMUJFWSA-N 299.399 3.561 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cnn(C3CCC3)c2)c1 899350522 GZDOKWZLYHESBO-MDZDMXLPSA-N 296.370 3.903 30 20 CHED C=C1CC(c2noc(Cc3cn(C)c4ccccc34)n2)C1 896884109 JLDRIGPZRLPWIV-UHFFFAOYSA-N 279.343 3.586 30 20 CHED CC(=NOC[C@H]1CCOC1)c1ccc(C(C)(C)C)cc1 788035139 XQIKCPLKDIGJAK-AWEZNQCLSA-N 275.392 3.761 30 20 CHED N#CC1(COC(=O)c2cc3c(s2)CCCC3)CCCC1 780529702 AVNUVSWKIHCNTJ-UHFFFAOYSA-N 289.400 3.868 30 20 CHED CCCC(=NNc1ncncc1Cl)c1ccccc1 780280938 AUBMZDDXORDHGR-UHFFFAOYSA-N 274.755 3.746 30 20 CHED C=CCN(C(=O)NCCC1CCC(F)(F)CC1)C1CC1 898582823 KFWGGTADCIHXQL-UHFFFAOYSA-N 286.366 3.562 30 20 CHED COCCCON=C(C)c1ccc(-c2ccccc2)o1 795051079 MJIZVFCTVJPALO-UHFFFAOYSA-N 273.332 3.724 30 20 CHED C[C@H]1CC(=NNCC(C)(C)CO)C[C@H](c2ccccc2)C1 799115590 GQIBCZVWCZSQOP-GDBMZVCRSA-N 288.435 3.554 30 20 CHED CCCCCCCCC[S@](=O)[C@H]1CCCOC1 790210357 DHNXCRYXVQDZQK-YOEHRIQHSA-N 260.443 3.665 30 20 CHED C=CCC1(C(=O)OCc2ccc(F)cc2F)CCC1 791557958 IYKSXUUCVNMCKK-UHFFFAOYSA-N 266.287 3.754 30 20 CHED Cc1ccnc2ccc(C(=O)OCC3(C#N)CCCC3)cc12 797242047 HPFVABNGFQBCAZ-UHFFFAOYSA-N 294.354 3.784 30 20 CHED C=CCCCCC[C@H](C)NCc1ncnn1C(C)(C)C 793563614 DIRAJIBPYVKSIJ-AWEZNQCLSA-N 278.444 3.648 30 20 CHED CCCCCCCN[C@@H](C)c1ccc2c(c1)OCC(=O)N2 796858249 UDDJIMFTROODPY-ZDUSSCGKSA-N 290.407 3.639 30 20 CHED CC[C@@H](C)NN=Cc1ccc(F)c(C(F)(F)F)c1 790184366 UVAQGOMJQLAXER-MRVPVSSYSA-N 262.250 3.567 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 799001481 OSPHMIVTTRIGLV-FZMZJTMJSA-N 297.320 3.727 30 20 CHED C=C(Cl)COC(=O)CC1CC(c2ccccc2)C1 798734421 VFQLTSXIWPAFNO-UHFFFAOYSA-N 264.752 3.866 30 20 CHED Cc1cccnc1NN=Cc1ccc(F)cc1C(F)(F)F 790187074 SXSNNVVTOCHOQJ-UHFFFAOYSA-N 297.255 3.994 30 20 CHED Cc1cccnc1NN=Cc1ccc(OC(F)F)c(F)c1 790190670 KNTPDKKENIOSHB-UHFFFAOYSA-N 295.264 3.577 30 20 CHED CSc1c(F)cccc1C(=O)N(CCC#N)CC(C)C 797843260 WDCHZIBQEDZRAV-UHFFFAOYSA-N 294.395 3.559 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)n1 1530114594 HDKSWBCOFFIUDL-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2[nH]ccc2c1 1308391185 VHMKJUNIRXDAHH-IBGZPJMESA-N 287.366 3.817 30 20 CHED Cc1cccc(CCNc2nc(C#N)c(Cl)s2)c1 1162367031 PYXMDLZTCZXPOA-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C=CCc1cc(CNc2cccc(C#N)c2)cc(OC)c1O 76274816 AGDWEWUGVPFMKM-UHFFFAOYSA-N 294.354 3.613 30 20 CHED C[C@@H]1CCC[C@H](CN(CCC#N)Cc2ccccn2)C1 92799547 NJQKTJNKWPRFPU-CVEARBPZSA-N 271.408 3.624 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccc3c(c2)CCC3)o1 1318776407 ISAXQXZXHWFQHF-UHFFFAOYSA-N 294.358 3.604 30 20 CHED COc1ccc2cc(C(=O)OCCC(C)(C)C#N)ccc2c1 1319955539 ZNEMSUPVLVLBSZ-UHFFFAOYSA-N 297.354 3.945 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccccc1OC 508543124 TVNWDGKEJPWXFT-UHFFFAOYSA-N 267.372 3.883 30 20 CHED C[C@H](C#N)OCCOc1cc(Cl)c(Cl)cc1Cl 393888166 WLOWBSBRSPAPDN-SSDOTTSWSA-N 294.565 3.954 30 20 CHED C=CC[C@H](C)NCc1cccc(Br)c1OC 187248016 QNCKKKLDILFSBB-JTQLQIEISA-N 284.197 3.512 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1320417943 AMZMHFXVVOQLBO-WDEREUQCSA-N 299.773 3.638 30 20 CHED COc1ccc(NCc2cc(C#N)ccc2F)c(C)c1 61567896 RKBMRYXQOAFSFR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#CCC1CCN(Cc2cscc2C(F)(F)F)CC1 564536822 LAIREPOZLNADGL-UHFFFAOYSA-N 288.338 3.893 30 20 CHED C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1cccc(CC#N)n1 1325709991 KRLAYAOZXFTXLZ-NVXWUHKLSA-N 291.398 3.605 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1csc(C#N)c1)C1CC1 1325105328 YXSCWIMHWIJUGI-GHMZBOCLSA-N 276.405 3.659 30 20 CHED C[C@@H](NC(=O)C(C)(C)C#N)c1cccc2ccccc12 42091885 RXQUSINAYIUUPR-GFCCVEGCSA-N 266.344 3.567 30 20 CHED O=C(CC1CC1)N(O)Cc1cc(Cl)cc(Cl)c1 1334857167 LTGASWQGRIIFNY-UHFFFAOYSA-N 274.147 3.511 30 20 CHED C=C1CC(c2noc(-c3ccc(C(F)F)nc3)n2)C1 1331613236 OUVGVSSTYBGWLN-UHFFFAOYSA-N 263.247 3.503 30 20 CHED N#Cc1cccc(Oc2ccnc(NC3CCCCC3)n2)c1 1184580538 QCXJMTPEOBXFBF-UHFFFAOYSA-N 294.358 3.885 30 20 CHED CC1=CCC[C@H](C)[C@H]1CNc1cccc(OCC#N)c1 785978872 KATWAWYDKYLOBH-YOEHRIQHSA-N 270.376 3.993 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1332594208 KZNXUAQERPJZCH-FZMZJTMJSA-N 294.370 3.718 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(OC)c(C)c1 1340654363 CNIMJEHLRHIGHM-UHFFFAOYSA-N 288.391 3.548 30 20 CHED O=C(CC#Cc1ccccc1)OCC[C@H]1CC1(Cl)Cl 1261440989 YLLVZFVXIDSBTN-ZDUSSCGKSA-N 297.181 3.555 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CC1 1350573207 JAGXXKQCGRTWBW-GOEBONIOSA-N 261.409 3.772 30 20 CHED CC[C@@H](F)C(=O)Nc1ccccc1S[C@@H](C)CC#N 1357898914 RXTALEMSXVQIEY-WDEREUQCSA-N 280.368 3.767 30 20 CHED C[C@H]1C[C@@H](C(=O)OCc2ccc(CC#N)cc2)CC[C@H]1C 1435687527 VADSCQSXRAPEGS-KEYYUXOJSA-N 285.387 3.868 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)n1cnc2ccccc21 1514859002 NHMVZYXGTWKFDE-LSDHHAIUSA-N 297.402 3.555 30 20 CHED C[C@@H]1CC[C@H](CC(=O)O[C@@H](CC#N)c2ccco2)C1 1518017602 KJFZZSNZSAVINQ-DYEKYZERSA-N 261.321 3.604 30 20 CHED COc1c(CNc2cc(C)c(C#N)cn2)oc2ccccc12 1458330498 YPNXDOGCHKHFGF-UHFFFAOYSA-N 293.326 3.629 30 20 CHED C=C(CC)C(=O)Nc1cnn(CCC(C)C)c1C(C)C 1520073375 MLTWTMFGHJTRJI-UHFFFAOYSA-N 277.412 3.957 30 20 CHED N#Cc1cc(NC(=O)c2coc3ccccc23)c(F)cc1F 1462280591 CXZFSMACMNIDPI-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(C(=O)O)[nH]2)cc1 1603534121 IUWRUQKSESFKNL-PKNBQFBNSA-N 297.354 3.907 30 20 CHED CCOc1ccc(C=Nc2cccc(C(=O)O)c2C)c(O)c1 1605684665 DLBMJQXIBURUGA-UHFFFAOYSA-N 299.326 3.548 30 20 CHED Cc1cc(C)c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(C)c1 1535479733 YCHDDHVTXQPGHG-CABCVRRESA-N 271.360 3.851 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCC[C@@H](C(=O)O)C1 1610480349 VLQOGLDJMOOUSY-CYBMUJFWSA-N 297.358 3.586 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 20035406 WOFIGENFTWVLKE-GFCCVEGCSA-N 254.308 3.548 30 20 CHED Cc1cc(F)c(CNCc2ccc(C#N)c(F)c2)c(F)c1 1621392936 ISSJXZMABSKBBJ-UHFFFAOYSA-N 290.288 3.574 30 20 CHED Cc1cc2c(NC(=O)CCC3CCCC3)n[nH]c2cc1C#N 1557351440 BZFLWTHZOPDJCQ-UHFFFAOYSA-N 296.374 3.652 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C)C1CCCC1 1560744608 PNDSVSCBFRPWOE-LBPRGKRZSA-N 258.365 3.948 30 20 CHED C[C@@H]1Cc2cc(Nc3nc(Cl)c(C#N)s3)ccc2O1 1651471168 UDTRGTYSAXJSIS-SSDOTTSWSA-N 291.763 3.735 30 20 CHED CC[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1C 1585515923 JGNMKBDSXXBOBG-INMHGKMJSA-N 284.403 3.721 30 20 CHED O=C(O)c1ccc(C=NNc2ccccc2Cl)cc1F 1776014992 XFBIVUJDYVSDHI-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CCc1cccc(F)c1/C=C\C(=O)c1cccc(C(=O)O)c1 1776976261 DYZQCHKNHIJOKM-KTKRTIGZSA-N 298.313 3.982 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1cn(C)nc1C 162786561 LJDQPFXOUWJPGI-UHFFFAOYSA-N 295.839 3.632 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)ccc1-n1cc(C)cn1 158654686 BWLCAUWKEYMARP-AWEZNQCLSA-N 298.390 3.575 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc2cccc(OC)c2o1 164633293 UGUKQQYCWUMYBQ-JTQLQIEISA-N 265.740 3.845 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 116805020 DDFHJAHZNQMUGU-OFQRWUPVSA-N 264.413 3.647 30 20 CHED CCCOc1cc(C)ccc1CNCc1ccc(C#N)o1 153609297 LLEMYMBTXMJERR-UHFFFAOYSA-N 284.359 3.538 30 20 CHED C=CCC[C@@H](NC(=O)N(C)CC=C)c1ccccc1 155522588 VLSMNTYZQYCXIQ-OAHLLOKOSA-N 258.365 3.521 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(C(C)C)on2)s1 154585162 QESLYMMKGHEOTR-UHFFFAOYSA-N 289.360 3.546 30 20 CHED CCN(Cc1cccc(C#N)c1F)c1cccc(F)c1 219526332 GITLSNWHCFPTOP-UHFFFAOYSA-N 272.298 3.863 30 20 CHED C#Cc1cccc(NCc2ccnc3ccccc23)c1 111788301 WBDGUBKSUUEPHY-UHFFFAOYSA-N 258.324 3.828 30 20 CHED Cc1cc([C@H](C)Nc2nccc(C#N)c2Cl)c(C)o1 235538680 ZJHGAPIMXHASHK-VIFPVBQESA-N 275.739 3.990 30 20 CHED N#Cc1ccc(NCc2ccc(C(F)(F)F)cc2)cn1 149339412 FMEQWJJHJVAXJC-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 167410795 XEZWTNXUJPUDHT-SECBINFHSA-N 284.281 3.952 30 20 CHED CCCCCCCCNC(=O)Nc1cccc(CN)c1 159417172 JCFHVOIYQHWIBC-UHFFFAOYSA-N 277.412 3.627 30 20 CHED C[C@H]1CCC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 42373859 FEPVLBIXXYFELB-WFASDCNBSA-N 260.356 3.708 30 20 CHED N#Cc1ccc(CNc2ccc(OCC3CC3)cc2)o1 174386124 CPTGICHVWZOXAF-UHFFFAOYSA-N 268.316 3.552 30 20 CHED C[C@H](CNc1ccc(Cl)cc1C#N)CN1CCCCC1 52857452 HZDJLVXCZDWMBJ-CYBMUJFWSA-N 291.826 3.746 30 20 CHED C=C(C)CN(CC)Cc1coc(-c2ccccc2)n1 66863730 ZTISEXGZWSYRPR-UHFFFAOYSA-N 256.349 3.740 30 20 CHED C[C@H]1CCCC[C@]1(C)NCc1ccc(F)c(C#N)c1 308715098 ONZVVXJTTJTUSB-LRDDRELGSA-N 260.356 3.756 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)nc(Cl)c1 311172139 RHMWRPMUXCSKGQ-UHFFFAOYSA-N 287.190 3.721 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnc(Cl)s1 78686260 MXWPMFJCBJOVTN-UHFFFAOYSA-N 278.808 3.985 30 20 CHED COCC1CCC(Nc2nc(C)c(C#N)cc2Cl)CC1 413530836 KLLCDVGRLDATNB-UHFFFAOYSA-N 293.798 3.532 30 20 CHED C=CC[C@@H](CC)NCc1ccc(Cl)c(OC)c1 623513006 DUHZIYCPTLREBS-GFCCVEGCSA-N 253.773 3.793 30 20 CHED CCC(C)(C)c1ccc(Oc2ncncc2C#N)cc1 383529631 ACZAHETVPGFIOF-UHFFFAOYSA-N 267.332 3.828 30 20 CHED N#CCOc1cccc(CNCC2CCCCCC2)c1 389507103 YIOOEJNULLAZOJ-UHFFFAOYSA-N 272.392 3.649 30 20 CHED CCOc1ccc(OC)cc1NCc1ccccc1C#N 105397130 ZDXYCPYUWQIHLP-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(CCSC)cc1 117005617 FLONISZDWNCUGK-GFCCVEGCSA-N 278.421 3.678 30 20 CHED CC(C)C[C@@H](C)N(C)C(=O)CSc1ccccc1C#N 173720013 FEVCPGUEXBVTMP-CYBMUJFWSA-N 290.432 3.543 30 20 CHED C#CCOc1ccc(C(=O)N(C)c2cc(C)ccc2C)cc1 172788583 YWLLYRPYYHWNIB-UHFFFAOYSA-N 293.366 3.592 30 20 CHED C[C@@H](CCc1ccco1)Nc1snc(Cl)c1C#N 51380833 ZPJAQYORESQPPI-QMMMGPOBSA-N 281.768 3.694 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cnc(-c3ccccc3)s2)C1 179901095 DFBLEQOPSJKKOK-AAEUAGOBSA-N 298.367 3.659 30 20 CHED CCOCc1ccccc1CNCc1ccc(C#N)c(F)c1 404085753 UQZCEWKBUWGEPD-UHFFFAOYSA-N 298.361 3.524 30 20 CHED COC(=O)[C@@H](Nc1ccc(C)c(C)c1)c1cccc(C#N)c1 176707339 XCTIQSMYPHOZKS-KRWDZBQOSA-N 294.354 3.501 30 20 CHED C=CC1CCN(C(=O)c2ccc3ccccc3c2)CC1 110360704 JJKMADJIZBGMFW-UHFFFAOYSA-N 265.356 3.878 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(C)ccc1OC(F)F 119322565 BGPULHUDDREFHY-WDEREUQCSA-N 255.308 3.822 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccsc2)c1C 178030510 KNNXAOVRKVTLHZ-AATRIKPKSA-N 274.389 3.868 30 20 CHED C/C(=C\C(=O)OCCCC#N)c1cccc(Cl)c1 176756786 XZOPIOPPEDDZEB-PKNBQFBNSA-N 263.724 3.590 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H]1CCC[C@@H](C)C1 303830048 GMHOLRCACODWOT-CABCVRRESA-N 287.403 3.694 30 20 CHED C=CCCCCCN1CCCCC[C@@H]1C[C@H](C)O 300257403 OAIZHXQVHCDUHU-JKSUJKDBSA-N 253.430 3.748 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1ccc(O)c(Cl)c1 119262313 ZUSDNIUKFCCZGZ-FNORWQNLSA-N 283.714 3.813 30 20 CHED Cc1ccc(N/C(N)=N/CC(C)(C)c2cccc(F)c2)cc1 304757139 OLDLCQLUQIIEBG-UHFFFAOYSA-N 299.393 3.839 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Nc2ccc3scnc3c2)c1 302702541 GBRQVTYNDZSXPJ-UHFFFAOYSA-N 296.311 3.820 30 20 CHED COc1cccc(/C=C2/COc3c(C)cc(C)cc3C2=O)c1 63411993 LYHMGJAERGDURK-DHDCSXOGSA-N 294.350 3.971 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 69334576 IIQCDIQIQDOQML-RHSMWYFYSA-N 287.403 3.544 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)C2CCC2)c1 176002893 BTLHZUUAEBYTCL-UHFFFAOYSA-N 274.364 3.658 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCc2cccs2)C1 116806582 SJKLDCSWNIANRS-CZUORRHYSA-N 290.432 3.659 30 20 CHED CC(C)c1cccc(N/C(N)=N/CCc2ccccc2)c1 303693607 CGNTZPHLOHTKLX-UHFFFAOYSA-N 281.403 3.779 30 20 CHED C[C@H](OC(=O)c1ccccc1F)c1ccc(C#N)cc1 175752332 HAQDDGHJYSMJPF-NSHDSACASA-N 269.275 3.615 30 20 CHED CCC[C@@H](C)CC(=O)Nc1ncccc1OCCCC#N 171057222 ZNGHWPISHHEVBD-CYBMUJFWSA-N 289.379 3.529 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@H](C)c2ccncc2)s1 120723376 GBMHHAIBDPPOFB-NSHDSACASA-N 299.399 3.709 30 20 CHED C[C@@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 174907019 WKQMCZOXPDRCKR-GFCCVEGCSA-N 271.364 3.504 30 20 CHED C=CCCOCCNC(=O)Nc1ccccc1C(C)C 122389306 XKZDHFYRPSDGMN-UHFFFAOYSA-N 276.380 3.524 30 20 CHED C=C[C@@H](C)Nc1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 301626371 ZZQGEWSZYQUHKX-LLVKDONJSA-N 298.346 3.601 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)C(C)C)c1 129021161 CMRGEFWJCSICKI-UHFFFAOYSA-N 262.353 3.514 30 20 CHED CCCCCCCC(=O)N1CCOC[C@@H]1CC(C)C 303577309 JUBJKEAXQFABDR-HNNXBMFYSA-N 269.429 3.620 30 20 CHED COc1cc(C#N)ccc1CN[C@H](C)c1ccccc1C 181547666 VGPZXYUOJPBJDV-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCNC(=O)Nc1cccc(CSc2ccccn2)c1 72067584 OCUILWQZLWFMNY-UHFFFAOYSA-N 299.399 3.681 30 20 CHED C[C@H](C#N)CNC(=O)N[C@H](CC1CCCC1)c1ccccc1 182733183 LDBLQNPFEHCXLX-RHSMWYFYSA-N 299.418 3.767 30 20 CHED C=CCC[C@H](C)NCc1nccn1CCc1ccccc1 185661772 YSSYJQKSLJEBCI-INIZCTEOSA-N 283.419 3.570 30 20 CHED C=CCCC(=O)Nc1cccc2c1CN(CCC(C)C)C2 76170855 XXSYFDCGVNCRBN-UHFFFAOYSA-N 286.419 3.953 30 20 CHED C[C@H]1Cc2c(ncn2Cc2ccc(C#N)cc2Cl)C[C@H]1C 315352884 DAJMYBNRASPBGS-NEPJUHHUSA-N 299.805 3.827 30 20 CHED CCC(CC)S(=O)(=O)/N=C(\O)C[C@@H](C)c1ccccc1 73838495 RPEINCCBAJVGNN-GFCCVEGCSA-N 297.420 3.655 30 20 CHED CS[C@@H]1CCC[C@H](NCc2ccc(C#N)c(C)c2)C1 443995455 QXCRXZAEJLXPIL-JKSUJKDBSA-N 274.433 3.631 30 20 CHED C[C@@](CO)(NCCC1(C#N)CCCCC1)C1CCCCC1 411284867 PIWSVJLUWSCXCU-KRWDZBQOSA-N 292.467 3.771 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H]1CCCc2c1cnn2C 414311178 XPAYOUZWTJRHQI-FUHWJXTLSA-N 295.430 3.575 30 20 CHED CC1(C)CN(Cc2ccccc2)CC[C@@H]1NCCCCC#N 282518678 PHQQGJCSJVQBSL-SFHVURJKSA-N 299.462 3.571 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](SC)c1ccccc1 415537739 HXDPRKLWDYGXNL-LSDHHAIUSA-N 275.417 3.658 30 20 CHED COCC[C@H](NCCC1(C#N)CCCCC1)C(C)(C)C 411689064 DZLSLPSMLHMJBK-HNNXBMFYSA-N 280.456 3.891 30 20 CHED C[C@@H](NCCCOc1ccc(F)cc1)c1cccc(C#N)c1 181987799 JFVSTGNUPAIICR-CQSZACIVSA-N 298.361 3.817 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 313470861 YBWLSBHTDKQVIF-GOSISDBHSA-N 290.366 3.811 30 20 CHED N#Cc1ccnc(SCCCOCc2ccccc2)c1 185527656 WTEKIBZNZNXBAT-UHFFFAOYSA-N 284.384 3.652 30 20 CHED CC(C)c1cc(=O)oc2cc(OCCCC#N)ccc12 125583066 VDEXLHQBBKHVEB-UHFFFAOYSA-N 271.316 3.599 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)OCC1(C#N)CCC1 183904289 JDVCCLLXEYTBDQ-AWEZNQCLSA-N 271.360 3.726 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc(C(F)(F)F)cc1C 410875455 XVGYPIIOWDVJJW-UHFFFAOYSA-N 286.297 3.950 30 20 CHED C=C[C@](C)(CC)C(=O)NC1CCN(C2CCCCC2)CC1 135093983 LWDCJVZNHUBWTD-GOSISDBHSA-N 292.467 3.502 30 20 CHED C=CCNc1ccccc1CN(C)C(=O)c1cccs1 133476377 YBEWRRCTSGRSQU-UHFFFAOYSA-N 286.400 3.618 30 20 CHED N#Cc1c(Cl)nsc1NCc1ccc(Cl)cc1 47405188 LHGNPDWQFKFLFK-UHFFFAOYSA-N 284.171 3.934 30 20 CHED CC(C)(NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 508163792 QDAYVKJFCRIIEM-UHFFFAOYSA-N 298.773 3.877 30 20 CHED C=C(Cl)CNCc1cc(Cl)ccc1Cl 159638346 SUYHZRPIEQSSLR-UHFFFAOYSA-N 250.556 3.836 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1ccccc1Cl 87591707 LPIUOZCQCWPFIQ-LLVKDONJSA-N 250.773 3.930 30 20 CHED N#Cc1cccc(Sc2ccccc2Br)n1 81622342 JSVDILLWOPFBRE-UHFFFAOYSA-N 291.173 3.867 30 20 CHED CC(=O)c1cc(F)ccc1OCC#Cc1ccc(F)cc1 135229178 KFMINFBCWHYTDZ-UHFFFAOYSA-N 286.277 3.598 30 20 CHED C[C@@H]1C[C@@H](/N=C(/O)CCc2cc3ccccc3o2)CCO1 329089890 ITAQHQPOWKFFHM-OCCSQVGLSA-N 287.359 3.889 30 20 CHED C[C@@]1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CC=CCC1 410646221 YNORZGIBWJRKGO-GOEBONIOSA-N 288.778 3.767 30 20 CHED N=C(O)Nc1ccc(C/N=C(/O)[C@@H]2CC23CCCC3)cc1 329969868 URJILQMDKRTVDM-ZDUSSCGKSA-N 287.363 3.628 30 20 CHED CCCCCCCCC[S@](=O)[C@@H]1CCO[C@@H]1C 191199186 LXALCWSIVDPXKO-CPUCHLNUSA-N 260.443 3.663 30 20 CHED C=CCSCCNC(=O)c1c(Cl)cccc1Cl 81614046 JGIKXRFXWJGNOA-UHFFFAOYSA-N 290.215 3.642 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccc(C#N)o1 135155314 CONHHQJXXMBOJO-HNNXBMFYSA-N 284.359 3.856 30 20 CHED CC(C)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 46439716 XLITWCOQPXIUOO-HNNXBMFYSA-N 264.328 3.695 30 20 CHED C#CCCCC(=O)N(Cc1ccc(C)s1)C(C)C 192229356 AYKSPJVWXZBYNC-UHFFFAOYSA-N 263.406 3.597 30 20 CHED C=C(C)CSCc1nc(-c2ccc(F)c(F)c2)no1 134070306 XOCCVKAOACDVSE-UHFFFAOYSA-N 282.315 3.824 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC(F)F)c(F)c1 190760358 HQDZVOPKCIDOPN-CQSZACIVSA-N 287.281 3.968 30 20 CHED C=CCC[C@H](NC(=O)c1ccnc(F)c1)c1ccccc1 133866707 BHNIWXUXZXUKES-HNNXBMFYSA-N 284.334 3.658 30 20 CHED Cc1ccc(CC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1C 515366564 PGFLQCJMFNTSAD-HNNXBMFYSA-N 292.382 3.595 30 20 CHED C#CCCCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 192124995 KGWAAEOIWXZIDV-ZDUSSCGKSA-N 269.344 3.756 30 20 CHED N=C(O)C1CCC(/N=C(/O)c2cccc3c2CCC3)CC1 329182183 FCZRNDURVUTRKJ-UHFFFAOYSA-N 286.375 3.574 30 20 CHED Cc1ccc(CC[C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 424319561 FBPRFIAXEAXOIK-BHYGNILZSA-N 256.393 3.598 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc2c(s1)CCCC2 424560188 LTLFDORAQLTHJU-UHFFFAOYSA-N 264.394 3.563 30 20 CHED C=CCOc1ccccc1CNC(=O)CC[C@H](C)CC 512667788 GGIWKPMLCCJZAP-CQSZACIVSA-N 275.392 3.694 30 20 CHED N#Cc1cccc(OCCCN2CCC[C@H]3CCC[C@@H]32)c1 87771023 KYFYBRBHPXSASZ-AEFFLSMTSA-N 284.403 3.592 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@@]2(C)c2ccccc2)C1 333590497 SQWGOHINXQEICY-XIVBQZFQSA-N 296.414 3.553 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(Cl)ccc1OC 425381606 HEOZLYZCBGNKMZ-UHFFFAOYSA-N 267.756 3.889 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@H]2C2CC2)cc1C(F)(F)F 230308678 QSCZLPVIIHSXJA-KBPBESRZSA-N 296.292 3.556 30 20 CHED C=CCC[C@@H](O)CN1CCC(c2ccc(F)cc2C)CC1 428721781 FUQGABOXTCGVFT-QGZVFWFLSA-N 291.410 3.641 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 333601876 CVGUDGREBQIRDZ-IRXDYDNUSA-N 295.386 3.519 30 20 CHED CCN(CC#N)Cc1ccc(F)c(-c2cccs2)c1 92398825 SSBWPASOYFNOIJ-UHFFFAOYSA-N 274.364 3.900 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1cccc(F)c1F 424761147 JDJGLOBOJVLIBN-JTQLQIEISA-N 267.319 3.744 30 20 CHED Cc1c([C@@H](C)NCc2ccc(C#N)s2)cnn1C(C)C 421867127 BUPQLRAPDFGUHG-LLVKDONJSA-N 288.420 3.556 30 20 CHED Cc1cccc2c1CN(Cc1ccc(F)c(C#N)c1)CC2 429579114 VPQUXPARHBZYTJ-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=CCOc1cccc(/C=C/c2ncc(C(=O)O)s2)c1 338615404 VONUOMCMVNUPIE-VOTSOKGWSA-N 287.340 3.577 30 20 CHED Cc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C2CCC2)o1 424330848 RHJVOQKBZATRHE-JGGQBBKZSA-N 258.365 3.711 30 20 CHED Cc1ncsc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 93872471 DDSKABFRGCHNOG-HOTGVXAUSA-N 297.427 3.723 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H]2CC23CCCCC3)cc1 514756090 PODCPXWEIWMYCM-SJORKVTESA-N 296.414 3.900 30 20 CHED CCCC(=CC(=O)N[C@@](C)(C#N)C(C)C)CCC 92301290 ZRMSBBAKEDLCLV-HNNXBMFYSA-N 250.386 3.567 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C(C)(C)C)C(F)(F)F 515738097 OONCIVGWGDBNNG-MNOVXSKESA-N 292.345 3.714 30 20 CHED C=CCCNC(=O)c1ccc(Cl)cc1C(F)(F)F 617617815 VKROTSSPIUTTFU-UHFFFAOYSA-N 277.673 3.665 30 20 CHED CSCc1ccccc1NC(=O)c1cccc(C#N)c1C 337856961 ZIHBKRFQHCYUAC-UHFFFAOYSA-N 296.395 3.982 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N[C@@](C)(C#N)C(C)C 513451534 HZNPCRBWZLBPSO-ZBFHGGJFSA-N 264.413 3.647 30 20 CHED C=CCN(CCC#N)CCCc1c(F)cccc1Cl 430104963 KLOKMQOWOHOOHX-UHFFFAOYSA-N 280.774 3.813 30 20 CHED CSc1cccc(NC(=O)C2(C#N)CCCC2)c1C 334330202 OPFNAWCOXSWWRR-UHFFFAOYSA-N 274.389 3.739 30 20 CHED C#CCCCCC(=O)N1CCCC2(CCCCC2)C1 180138114 YHNFMFPCULAFAP-UHFFFAOYSA-N 261.409 3.753 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(C(C)(F)F)cc1 432349513 WAGNZLKZBDVTKA-AWEZNQCLSA-N 296.361 3.952 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(O)cc2)no1 436534203 NZEXLEPELUVAMG-UHFFFAOYSA-N 256.305 3.678 30 20 CHED C=CCCSc1nnc(-c2cccc(C)c2)n1CC 523499379 KJXRNQKCIOUSGU-UHFFFAOYSA-N 273.405 3.942 30 20 CHED C=CCC[C@H](NC(=O)N[C@H]1CC[C@H](F)C1)c1ccccc1 345581533 FCPVDXFVEICHBL-JYJNAYRXSA-N 290.382 3.884 30 20 CHED N#Cc1ccc(CN(Cc2ncccc2Cl)C2CC2)cc1 528359825 LOJJCLRZJIZLMU-UHFFFAOYSA-N 297.789 3.771 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)c(C)n1)c1ccccc1 344380922 IFPZQKRTUFRCTK-MRXNPFEDSA-N 293.370 3.533 30 20 CHED CCS[C@@H]1CCC[C@H](Nc2snc(C)c2C#N)C1 342817116 MFDOLJNHZVOTFI-WDEREUQCSA-N 281.450 3.799 30 20 CHED N#C[C@H]1CC[C@H](Nc2cc(Cl)cc3cccnc23)C1 521967000 AEUMRXWRKFLCSF-GWCFXTLKSA-N 271.751 3.992 30 20 CHED CCOc1ccc(CNc2cc(C(C)=O)ccc2C#N)cc1 347400953 AWWDTXORQJLCIJ-UHFFFAOYSA-N 294.354 3.772 30 20 CHED N#Cc1cc(F)cc(NCc2scnc2C2CC2)c1 601063476 BPIFDTVRMIPTOL-UHFFFAOYSA-N 273.336 3.643 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1sc(C)cc1C 601311956 BFMWBAINPGZWFR-UHFFFAOYSA-N 299.399 3.921 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCCCN1CCCCC1 603112351 XDTRHIDCCSFEPZ-QGZVFWFLSA-N 299.462 3.817 30 20 CHED CC#CCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1 347554855 GRGDZXQLHXVGHX-UHFFFAOYSA-N 284.378 3.900 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)[C@@H]1CC12CC2 527864740 SUGNNYFVBXXNAP-ZFWWWQNUSA-N 257.377 3.530 30 20 CHED COc1cc(/C=C\C(=O)c2cc(F)cc(F)c2)ccc1O 255512078 GJLWKGHQKOLWMH-RQOWECAXSA-N 290.265 3.575 30 20 CHED CC(C)(C)[C@@H]1CCCN1Cc1cccc(C#N)c1F 539248477 SGJRZWOVNGQRBV-AWEZNQCLSA-N 260.356 3.708 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CCCC[C@H]1C 602522409 TZVLPBFMSPSGKE-OAGGEKHMSA-N 278.440 3.501 30 20 CHED CC(C)Sc1ccc(C(=O)N(CCC#N)C(C)C)cc1 608814533 IBUSRLNRTDQTOO-UHFFFAOYSA-N 290.432 3.951 30 20 CHED CCC(CC)[C@H](CCNc1cc(C)nc(C#N)c1)OC 342789247 ZKXANCLNJURMFH-INIZCTEOSA-N 275.396 3.515 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 342178248 MAVMXGGJLGTBQW-ZDUSSCGKSA-N 284.359 3.601 30 20 CHED CCC(C#N)(CC)c1nc(-c2cnc3ccsc3c2)no1 528126250 GYNSUJPAVXPNLQ-UHFFFAOYSA-N 298.371 3.928 30 20 CHED CC[C@@H](NC(=O)CCCC#N)c1cc(C)ccc1C 600516816 IUUCLJPMDYPHHZ-OAHLLOKOSA-N 258.365 3.565 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)c1ccc2ccccc2c1 344692383 CXIQEWUGPGCOLH-KRWDZBQOSA-N 298.411 3.605 30 20 CHED CC[C@@H]1CCCC[C@@H]1CN[C@@H](C)CC1(C#N)CCOCC1 602676381 ZMRFPUGBINHKSE-GVDBMIGSSA-N 292.467 3.891 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCc2c(Cl)cccc21 448784459 SXSLZKQJOFKAQV-CYBMUJFWSA-N 263.768 3.656 30 20 CHED C=CCC1(NCc2ccnn2C(C)C)CCCCC1 449577650 XEAVGYHBALCIKZ-UHFFFAOYSA-N 261.413 3.833 30 20 CHED CC(C)[C@@H]1CN(CCCSCC#N)c2ccccc21 447382353 IISMXIRUTFMVJF-HNNXBMFYSA-N 274.433 3.893 30 20 CHED C[C@H](CCC#N)CNc1cccc(CN2CCCCC2=O)c1 602490398 IQZVRQCETSKINQ-OAHLLOKOSA-N 299.418 3.551 30 20 CHED C=C(CC)CN[C@H](C)CC(=O)Nc1ccccc1CC 449736867 XADHEAPSJCJFLA-CQSZACIVSA-N 274.408 3.522 30 20 CHED CC[C@H](NC[C@H](C)CCC#N)c1ccc(OC)c(OC)c1 602661782 LRWWNVVSMOWJRV-HIFRSBDPSA-N 290.407 3.684 30 20 CHED N#Cc1cccc(CN2CCC=C(c3ccco3)C2)c1F 352551613 YZRZOZORFYGYJA-UHFFFAOYSA-N 282.318 3.580 30 20 CHED COCCN(CCCCC(C)(C)C#N)[C@@H]1CCC[C@H]1C 444692410 MBWMDXDXYMLFFK-HZPDHXFCSA-N 280.456 3.843 30 20 CHED C=CCN(CC=C)C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 443816573 YYGNFKJXIBBIOI-JYJNAYRXSA-N 279.424 3.561 30 20 CHED CC(C)c1ccc(OCCNC[C@@H](C)CCC#N)cc1 602519637 CGBYXNQRDSBMPH-HNNXBMFYSA-N 274.408 3.718 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(CC)c(C)c1 536720265 CCHTVSWMZZHHFQ-UHFFFAOYSA-N 258.365 3.763 30 20 CHED N#CCCCOc1cccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1 448732316 LCDVFLFFRMZEPN-KEYYUXOJSA-N 298.386 3.744 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1cccs1 353565760 XKVNWRLQEALQSU-VIFPVBQESA-N 289.335 3.642 30 20 CHED CCCC[C@H](C)N(C)CCCC1(C#N)CCOCC1 352421065 AHYQMYFYFXWFLK-HNNXBMFYSA-N 266.429 3.597 30 20 CHED C=CCC1(NC(=O)c2cc(F)cc(F)c2)CCCC1 619106115 LZQDLDFIXTXYEZ-UHFFFAOYSA-N 265.303 3.584 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 353549738 OVAXZXFUPBVFMU-MRXNPFEDSA-N 289.354 3.741 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1 448958311 WOFDPCKBPHJCAY-ROUUACIJSA-N 283.415 3.995 30 20 CHED C[C@H]1CC(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C[C@H](C)C1 618730288 CJUOLYUGOIDIBL-VFVRVIDISA-N 296.414 3.734 30 20 CHED CCC#C[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N 614471962 MDVOGMNQPNVVTF-SECBINFHSA-N 284.306 3.866 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cccc(OC(F)F)c1 537233094 ZKOJSFQTYRSVAQ-GFCCVEGCSA-N 297.345 3.692 30 20 CHED C=CCn1c(C2CC2)nnc1N1CC=C(C(C)(C)C)CC1 350751389 DHOWFCWAMXFXJJ-UHFFFAOYSA-N 286.423 3.524 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC(C)(C)C1 533714616 MHDYPHBYMANMCJ-CYBMUJFWSA-N 286.375 3.722 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(OC)cc1 265349327 DQGRTYMHMVHVBI-BBRMVZONSA-N 288.391 3.506 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(-c3ccco3)s2)nc1 610893131 ZRTVTDVZIJMIBR-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCc2cc(F)ccc21 538291875 WVALRNHGVSAKDA-LRDDRELGSA-N 290.382 3.857 30 20 CHED CCSc1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)cc1 351028388 OOGWQPHVRGZZEB-GFCCVEGCSA-N 288.416 3.563 30 20 CHED C=CCOCC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 354707910 DCIVQSUQDIYXHN-ZDUSSCGKSA-N 287.359 3.545 30 20 CHED Cc1cccc2c(N3CC[C@@H](C)[C@@H]3C)c(C#N)cnc12 610588363 GBDKIPGMTMVKIT-YPMHNXCESA-N 265.360 3.650 30 20 CHED N#CCOc1ccc(CN2CCCc3ccccc3C2)cc1 264540124 HCZZQEOPOUYKQR-UHFFFAOYSA-N 292.382 3.537 30 20 CHED CCc1nc(C)c(CSc2ccc(C#N)cc2F)o1 450842902 CRULBIPXLZROEU-UHFFFAOYSA-N 276.336 3.849 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2cccc(OC)c2)CCCC1 456500338 HCRKTGRLKGGHFT-DLBZAZTESA-N 299.414 3.804 30 20 CHED CC[C@H](Nc1ncc(Cl)c(C)c1C#N)C1CCOCC1 612087668 UJDUXYPMRGGBLL-AWEZNQCLSA-N 293.798 3.532 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 454214636 RMEYEGMQVAMKHE-YOEHRIQHSA-N 298.430 3.822 30 20 CHED C=CCCc1noc(C2(c3ccccc3)CCC2)n1 453247785 OWRYNBSHLKSYIA-UHFFFAOYSA-N 254.333 3.658 30 20 CHED COc1cc(OCc2oc(C(C)C)nc2C)ccc1C#N 450925263 XLKCWKPWGORJKY-UHFFFAOYSA-N 286.331 3.566 30 20 CHED CC(=O)c1ccc(Oc2snc(C)c2C#N)c(C)c1 360965967 LRYYUCPNYLWGKF-UHFFFAOYSA-N 272.329 3.627 30 20 CHED CN(CCC1CC1)c1c(C#N)cnc2c(F)ccc(F)c12 610958207 WYUDBOPURKXUJB-UHFFFAOYSA-N 287.313 3.621 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 452737831 JARLVRKLGHBAPZ-UONOGXRCSA-N 297.320 3.891 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 617789946 YLBYCNDIYKABQA-HNNXBMFYSA-N 296.414 3.915 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C1CCC1 457491199 AWAHMBFEAVUYIR-AWEZNQCLSA-N 284.403 3.731 30 20 CHED COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(C#N)cc1 364885474 JTHSGGUVUAOKOL-INIZCTEOSA-N 280.327 3.503 30 20 CHED N#CCCN(Cc1ccco1)C[C@@H]1C[C@H]1c1ccccc1 361316884 WNHNQSAKXIFJIT-WMZOPIPTSA-N 280.371 3.799 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C(C)(C)CCOC 546073177 WFJDCYPEHZWQHN-UHFFFAOYSA-N 281.440 3.644 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2ccccc2n1C 548770385 YVSXAHVSQVPLLC-UHFFFAOYSA-N 270.376 3.510 30 20 CHED CC#CCCCC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 456930871 XNNYWCNBQJYLPX-QAQDUYKDSA-N 299.414 3.593 30 20 CHED COCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C)o1 272551492 CZEMUNSONKSPGP-WMLDXEAASA-N 298.386 3.888 30 20 CHED CC(C)(C#N)CC(=O)N1CCCC2(CCCCC2)CC1 364806653 CSLAXMORZASVHK-UHFFFAOYSA-N 276.424 3.889 30 20 CHED CC(C)(C#N)CC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 278699188 FTCJEYPVSNRMQK-UHFFFAOYSA-N 298.430 3.809 30 20 CHED Cc1nsc(Nc2cccc(OCCCC#N)c2)c1C#N 360967283 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CHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(OC(F)F)cc1 299714811 RDANPWQWZGOZFH-QWRGUYRKSA-N 268.307 3.631 30 20 CHED C#CCCc1noc([C@@H](F)c2ccc(C(F)(F)F)cc2)n1 809397968 LGKXCAMDNVOHTG-LBPRGKRZSA-N 298.239 3.713 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc3ncsc3c2)CC12CCCC2 294350797 FXCHFJNTPFQONW-MRXNPFEDSA-N 297.383 3.709 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC[C@H](C#N)CCC#N)CC2 563013684 GNDPAJIHKJOWCJ-KSSFIOAISA-N 281.403 3.830 30 20 CHED CCCCC/C(=C/c1ccccc1)CN1CC(O)(CC#N)C1 475111982 REOGIGZJKDJDSB-AQTBWJFISA-N 298.430 3.611 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(O)cc1 807991256 UUURSFZBWQXCOI-UHFFFAOYSA-N 299.330 3.835 30 20 CHED Cc1cccc(F)c1NC(=O)N1CCC(CCC#N)CC1 569573579 SJKYAHYSDKDPQB-UHFFFAOYSA-N 289.354 3.682 30 20 CHED CCCC(CCC)C(=O)N(CCC#N)Cc1cccnc1 297576001 FSJLSWXWUZLCPA-UHFFFAOYSA-N 287.407 3.540 30 20 CHED C#CCCCCC(=O)OC[C@H](OC)c1ccc(Cl)cc1 801302697 SIMVHKYSWHVZML-HNNXBMFYSA-N 294.778 3.764 30 20 CHED C=C[C@H](C)NC(=O)c1cnn(-c2ccccc2C)c1C(C)C 477780492 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CC(C)CCN(CCC#N)C[C@@]1(C)CC1(Cl)Cl 827968752 KCMSQIHOHSEAIF-GFCCVEGCSA-N 277.239 3.832 30 20 CHED C=CCC1(CNCc2ccc(/C=C/C(=O)O)o2)CCCC1 902267080 DASLXQSIGZVTKC-BQYQJAHWSA-N 289.375 3.604 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C)C1 665200794 HFEJNILLMWAGGB-CYBMUJFWSA-N 276.355 3.954 30 20 CHED C=CC[C@H](C)Nc1nn2cc(-c3ccccc3)nc2s1 735075962 HQMRULRJIAEGAA-NSHDSACASA-N 284.388 3.834 30 20 CHED C#CCOc1ccccc1OC(=O)O[C@@H](C)CC(C)C 830423526 SXOWNBNRZKYOSM-ZDUSSCGKSA-N 276.332 3.649 30 20 CHED C=CC[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccncc1 734458151 VRYAOMIOQXKLMS-INIZCTEOSA-N 291.354 3.610 30 20 CHED CC(C)CCN(CCC#N)Cn1ccc(-c2ccccc2)n1 731660174 DRDNYTFQJJMKQT-UHFFFAOYSA-N 296.418 3.769 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(N2CCCCC2)cc1 903100616 UOVMQUOZXVRNJB-OAHLLOKOSA-N 285.435 3.877 30 20 CHED CCCCN(CC(F)(F)F)C(=O)CCCCCC#N 588871266 RDPJJFOADOCBHB-UHFFFAOYSA-N 278.318 3.651 30 20 CHED Cc1cccc([C@@H](C)/N=C\c2ccc(O)c(O)c2O)c1C 734366498 UNWCWAGIVOANJD-HALGXTDHSA-N 285.343 3.600 30 20 CHED CCC(=NNc1nccnc1Cl)c1ccc(CC)cc1 733078836 MCMIDHOMZYXTNT-UHFFFAOYSA-N 288.782 3.919 30 20 CHED C=CCC1(NCCCc2ccc(C)nc2)CCCC1 668625109 FVQXGLMOBRAXFA-UHFFFAOYSA-N 258.409 3.801 30 20 CHED N#Cc1ccc(COC(=O)/C=C\C2CCCCC2)c(F)c1 735565779 QXJSYXPCROPXQV-CLFYSBASSA-N 287.334 3.877 30 20 CHED N#CCCCC(=O)OCCc1c(Cl)cccc1Cl 835486311 YMPHEACKPPQCBX-UHFFFAOYSA-N 286.158 3.773 30 20 CHED C#Cc1cncc(C(=O)N(C(C)C)[C@@H](C)c2ccccc2)c1 839365708 LTRVFIPJWCGDHZ-HNNXBMFYSA-N 292.382 3.675 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(F)cc2C)ccc1O 731320003 TVKCXKFKAFGEGR-XVNBXDOJSA-N 286.302 3.744 30 20 CHED CCCn1c(NC(=O)CCCCCC#N)nc2ccccc21 588266747 PVKNDHXTMOAISL-UHFFFAOYSA-N 298.390 3.859 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1cc(F)cc(F)c1 901169835 ALWSPADFLNJBRA-UHFFFAOYSA-N 292.333 3.805 30 20 CHED CC(C)(C)C#CC(=O)NCc1ccc(OC(C)(C)C)cc1 837366017 RLDHAHDOSKIZKS-UHFFFAOYSA-N 287.403 3.530 30 20 CHED C=C(CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 672480949 WSUSTWKGWGQSQG-UHFFFAOYSA-N 285.774 3.712 30 20 CHED C#CCOc1cccc(OCc2cccc3cccnc23)c1 730439307 FYUDMVVNCZGABH-UHFFFAOYSA-N 289.334 3.826 30 20 CHED C=C(C)CN(CC)C(=S)N[C@@H](C)c1ccccc1 915995559 BWFZNIACBRUORN-ZDUSSCGKSA-N 262.422 3.520 30 20 CHED Cc1cccc(C(C)C)c1NN=C1CCn2ccnc21 834978017 AIKPOBSBYUAVLV-UHFFFAOYSA-N 268.364 3.535 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C2CC2)cc1 596745366 ZWPNJWTZLMHEGT-UHFFFAOYSA-N 290.366 3.708 30 20 CHED Cc1c(Cl)cccc1NC(=O)NCc1ccc(C#N)cc1 916409500 AVSNDUJYJUSLFA-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)c1cscn1 918710907 JLVGZLMOJYQYDR-UHFFFAOYSA-N 289.363 3.995 30 20 CHED N#Cc1ccc(CN[C@H](C2CCC2)C2CC2)cc1Cl 590778615 GJEREWDKBGCAAK-MRXNPFEDSA-N 274.795 3.880 30 20 CHED CC(C)=NNc1c(F)cc(F)cc1Br 741772677 ZGZUHONBVDZVFO-UHFFFAOYSA-N 263.085 3.535 30 20 CHED Cc1ccc(C=NNc2oc(C(C)C)nc2C#N)c(C)c1 745625687 ZFXRKPDNEDTRNH-UHFFFAOYSA-N 282.347 3.733 30 20 CHED C=CCOC(=O)CCCCc1ccc(Br)cc1 919357155 JRLPCNWBDGOFQO-UHFFFAOYSA-N 297.192 3.891 30 20 CHED C#CCNc1cc2oc3ccccc3c2cc1OC 746504791 URWONVDWMRLPJX-UHFFFAOYSA-N 251.285 3.640 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)Cc2ccccc21 916992951 DXBIXHFOUJEONP-CYBMUJFWSA-N 291.354 3.709 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1ccc(C(F)F)nc1 595006005 DGQJTTUWPONFLB-LLVKDONJSA-N 287.313 3.742 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(O)cc1F 747642881 XABFKZQCXWSPAI-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C[C@@H](c1ccccc1F)N(C)CCc1ccc(C#N)cc1 595298186 PZFNSOLJSNGDIZ-AWEZNQCLSA-N 282.362 3.933 30 20 CHED C=CCCCCCn1cc([N+](=O)[O-])c(-c2ccccn2)n1 594912541 DVGURRYCJHJIRL-UHFFFAOYSA-N 286.335 3.600 30 20 CHED FC(F)Oc1cccc(C=Nn2cnc3ccccc32)c1 747046683 FWJUPLNSPXHGGS-UHFFFAOYSA-N 287.269 3.520 30 20 CHED N#Cc1c(NC(=O)C2CC2)sc2c1-c1ccccc1OC2 591003800 FDDJIFBQCDPONW-UHFFFAOYSA-N 296.351 3.528 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(F)c(C)c1 742376746 FLTSDSNYQWWJPT-UHFFFAOYSA-N 287.309 3.897 30 20 CHED COc1ccc(C)cc1C(C)=NNc1ccc(C#N)cc1 915962459 MFXSWEONXBGARC-UHFFFAOYSA-N 279.343 3.711 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)[C@H](C#N)CCc1ccccc1 597752607 DYPNIBOYIGVGAP-HOCLYGCPSA-N 284.403 3.548 30 20 CHED Cc1ncsc1CCN[C@@H]1CCCc2cc(C#N)ccc21 590779292 ROUZGDIJJCGXFN-MRXNPFEDSA-N 297.427 3.533 30 20 CHED CCOc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 748679637 MAEPTUJOGDHJFU-CYBMUJFWSA-N 295.338 3.875 30 20 CHED Cc1ccc(C#N)nc1NC[C@H](c1cccnc1)C(C)C 596159912 RSGRHLUQYYQLQP-INIZCTEOSA-N 280.375 3.508 30 20 CHED C=C(C)CNC(=S)N(CC)[C@@H](C)c1ccc(F)cc1 918726223 LNZOLRBNABKBAF-LBPRGKRZSA-N 280.412 3.659 30 20 CHED CC(C)[C@H](CNCC(C)(C)CCC#N)C(=O)OC(C)(C)C 594518135 IBWYRHHOFYLGHE-AWEZNQCLSA-N 296.455 3.520 30 20 CHED CN(CC(C)(C)C#N)C(=S)Nc1ccccc1Cl 840751034 VKCWJJGKKHGANL-UHFFFAOYSA-N 281.812 3.518 30 20 CHED C#CC1CCN(C(=O)C(CC(C)C)CC(C)C)CC1 843699846 ZRGVKGAGYUDPBD-UHFFFAOYSA-N 263.425 3.567 30 20 CHED Cc1c(C(=O)N2CCC[C@@H](CC#N)C2)oc2c(C)cccc12 597910809 BFFLJXYMJWZCOU-AWEZNQCLSA-N 296.370 3.816 30 20 CHED COc1ccc(COCCSCC2(CC#N)CC2)cc1 596339893 QIUYFUIBIBXEHA-UHFFFAOYSA-N 291.416 3.639 30 20 CHED C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)CC(C)(C)C 748410397 JFZCJWXBVBIZMQ-NSHDSACASA-N 274.364 3.665 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C(C)C)oc2ccc(F)cc12 747743102 DPQUYHVHPMTJOQ-CYBMUJFWSA-N 275.279 3.585 30 20 CHED CCOc1cccc(/C=N\[C@@H]2CCCC[C@H]2OCC)c1O 840709293 IKCWIHZGIBSHFY-TYAXTIJKSA-N 291.391 3.558 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cc(F)ccc1OC)C(C)C 918071373 XYONVGNUHGGWDS-GFCCVEGCSA-N 294.370 3.501 30 20 CHED CCCC[C@H](C(=O)N1CCC(CC#N)CC1)C(C)C 598694292 ICMRKPSFOPINJA-HNNXBMFYSA-N 264.413 3.601 30 20 CHED C=CCOc1ccc(CN[C@]2(CC)CCOC2)cc1Cl 682952166 GVZSRTQTTZTQCF-MRXNPFEDSA-N 295.810 3.564 30 20 CHED CC1(C)CCCN(C(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)[C@H]1C#N 597568187 NBFQJPZNCJUTPG-XUWVNRHRSA-N 288.435 3.744 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CCCCC2(F)F)c1 840707158 OAKIXZCALCDSIZ-XZDJTBRNSA-N 298.289 3.545 30 20 CHED C#CCOc1cc(F)ccc1NCc1cccc(OCC)c1 742375239 AZMUXAVEINAYAU-UHFFFAOYSA-N 299.345 3.849 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(C(F)F)cc1F 847678709 HQXGSBYKECGDKN-LLVKDONJSA-N 285.265 3.858 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 924798374 NKJIWRKNYKLNJJ-NEPJUHHUSA-N 275.352 3.574 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](c1ccccn1)C1CC1 921818393 ZJRMXJACSTYWBO-CZUORRHYSA-N 287.407 3.577 30 20 CHED C#CCCCCNC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 758683608 AJPDSGASFHFFKD-KRWDZBQOSA-N 284.403 3.549 30 20 CHED C#CCCCCC(=O)OCCCc1ccc(C)cc1 751577726 YLUXLPSBICEWLW-UHFFFAOYSA-N 258.361 3.664 30 20 CHED C#CCCCC(=O)OCc1ccccc1C(F)(F)F 759191155 HOWGDZREJAQJNV-UHFFFAOYSA-N 270.250 3.552 30 20 CHED C#CCCCC(=O)Nc1ncc(C2CCCCC2)s1 759086163 QGPFTROIRCCZTD-UHFFFAOYSA-N 276.405 3.933 30 20 CHED CC(C)C[C@@H]1COCCN1CCCCC1(C#N)CCC1 929645381 HGIHWGQPWPNYRU-MRXNPFEDSA-N 278.440 3.597 30 20 CHED CC[C@@H](CON=C(C)Cn1nc(C)cc1C)CC(F)F 853656132 UWILLRAPMHEFFO-CYBMUJFWSA-N 287.354 3.574 30 20 CHED C=C(Cl)COC(=O)Cc1ccc(SCC)cc1 751914181 YUBKENFTXJQPJQ-UHFFFAOYSA-N 270.781 3.637 30 20 CHED CC[C@@H](CC(=O)OCc1ccc(F)c(C#N)c1)C(C)C 758948176 XIGWRCPQZNZUPV-ZDUSSCGKSA-N 277.339 3.813 30 20 CHED COc1ccc(NN=C2CCc3ccc(F)cc32)cc1 750926467 YKGQQBLRXWENDW-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C=CCCOCCNCc1cccc(Oc2ccccn2)c1 921938837 PYNHCVWQBOAGTR-UHFFFAOYSA-N 298.386 3.556 30 20 CHED CC1(C)CC(=NNc2ccc(F)cc2F)C(C)(C)O1 755876062 YOEVXHUCJQOLKY-UHFFFAOYSA-N 268.307 3.710 30 20 CHED N#Cc1c(F)ccc(C=NOCC2CCC2)c1Cl 853440769 IFKVRDYHWURPMY-UHFFFAOYSA-N 266.703 3.501 30 20 CHED C#CCCCCNC(=O)/C=C\c1ccccc1O[C@@H](C)CC 758636660 NICBHEKJDWVVQM-FIPLFPIMSA-N 299.414 3.797 30 20 CHED CCCCCCCCOC(=O)c1cnc2nccnc2c1 759804815 MFBQRVDBAOTYTB-UHFFFAOYSA-N 287.363 3.542 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@@H]2C[C@H]2c2ccccc2)cc1 755462092 NEFFHMHYAQUEFJ-BBRMVZONSA-N 281.315 3.796 30 20 CHED CCCCCCCCOCC(=O)Nc1cnc(C)s1 752415160 WHDRQEHYFQOGCM-UHFFFAOYSA-N 284.425 3.767 30 20 CHED C#C[C@H](CC)NC(=O)c1cccc(N[C@H](C)C(C)C)c1C 754358404 ZICDFAWNAFIHLX-HUUCEWRRSA-N 286.419 3.593 30 20 CHED CCOC1CCC(=NN[C@H]2CCCCC2(C)C)CC1 853341020 MVGREUBNJBVILE-LOACHALJSA-N 266.429 3.880 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(Cl)cn2)C12CCCC2 853437405 MZOSDOWWLFRNSG-CYBMUJFWSA-N 293.798 3.872 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(C)c(SCC#N)s1 931387212 DCDBNHDELBVSQO-JTQLQIEISA-N 295.433 3.608 30 20 CHED C#Cc1cccnc1NCc1cccc(COC(C)(C)C)c1 853253451 JFAJJKFQKCJQTG-UHFFFAOYSA-N 294.398 3.990 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cc(F)cc(F)c1O 757460282 BNVKMFMOKWTMBD-SNVBAGLBSA-N 290.313 3.745 30 20 CHED C=CCCOC(=O)C[C@@H](C)c1ccc(F)cc1F 751863620 SHBATZOKSAHLKI-SNVBAGLBSA-N 254.276 3.578 30 20 CHED CC1(C)CN(C(=O)Nc2sccc2C#N)[C@@H]2CCC[C@@H]21 931830110 CKKJEQYEQSFSKT-NWDGAFQWSA-N 289.404 3.662 30 20 CHED FC(F)(F)CON=Cc1cnc(-c2ccccc2)s1 764846823 QUXQFDXHHBZLRD-UHFFFAOYSA-N 286.278 3.723 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2c(C)cccc2F)cc1 766217425 ZOJJSUSSDXQDHT-OAHLLOKOSA-N 297.373 3.997 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CCSC1 762054280 XKIYDJZFRQSSSE-AWEZNQCLSA-N 271.470 3.949 30 20 CHED C=CCCCOC(=O)c1cnn([C@@H](C)CC)c1C1CC1 760634367 RLFBPGAKMCKCLF-LBPRGKRZSA-N 276.380 3.855 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CCCC12CCCCC2 760079631 NWKOWZSHJAJRGV-KTKRTIGZSA-N 294.398 3.897 30 20 CHED C#CCCCN1CCC(Cc2ccc(F)c(F)c2)CC1 769227870 JBCRLTZLYTZJDQ-UHFFFAOYSA-N 277.358 3.633 30 20 CHED C/C=C(/C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 769510262 OPMPVCWOSPSAST-SDQBBNPISA-N 262.397 3.567 30 20 CHED N#Cc1ccc(OC(=O)c2sccc2C2CC2)c(F)c1 769739608 WMAGDUMCCPCPIP-UHFFFAOYSA-N 287.315 3.855 30 20 CHED CC(CCC1CCCCC1)=NNc1ncc(F)cn1 760254640 OTVDMDREDRKXJJ-UHFFFAOYSA-N 264.348 3.764 30 20 CHED C=CCCN(C)C(=O)/C=C\c1ccc(SC)s1 861215588 OHWRDZKTHMPCJA-VURMDHGXSA-N 267.419 3.518 30 20 CHED N#Cc1csc(C=NNc2c(F)cccc2Cl)c1 769829981 VIHVTKYXOBXSPI-UHFFFAOYSA-N 279.727 3.858 30 20 CHED Fc1ccc(NN=CC2Cc3ccccc3C2)c(F)c1 766429245 HNLAMCRZQPYDGC-UHFFFAOYSA-N 272.298 3.778 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(OCC#N)cc1 1117820087 YDJWYECAZIBZAL-XJKSGUPXSA-N 286.375 3.744 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)Oc2ccc(C)cc21 779970612 JMQRXITUPXHRFS-OAHLLOKOSA-N 285.387 3.693 30 20 CHED C#CCCCNCC1CCC(c2ccccc2)CC1 1117577993 KTWDYAQYYDDUJX-UHFFFAOYSA-N 255.405 3.963 30 20 CHED Cc1ccc(C=NOCc2cccc3c2CCOC3)cc1 871722389 CSSJNAYVZLLIBZ-UHFFFAOYSA-N 281.355 3.618 30 20 CHED C#CCCCCCCNc1cc(NC(C)=O)ccc1OC 876817738 DVQSGFDCTSVRRX-UHFFFAOYSA-N 288.391 3.649 30 20 CHED CCCc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)s1 1124928573 IXAWVKPBVHMZOB-UHFFFAOYSA-N 298.411 3.844 30 20 CHED C#CCCCNC1(c2ccc(F)cc2F)CCCC1 775537403 IFBJIAYVZUSGJU-UHFFFAOYSA-N 263.331 3.737 30 20 CHED COc1ccc(NN=C(C)c2cccc(F)c2F)cc1 776260007 UZGUKNACWFPCTP-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1CCc2c(Cl)cccc21 776398740 BVHMOZTXZHEMAN-CYBMUJFWSA-N 291.778 3.853 30 20 CHED Fc1cccc(N2CCCC2)c1C=NOC1CCCC1 774596801 LKLLGGSIZQHRDC-UHFFFAOYSA-N 276.355 3.719 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 884025652 CRMCRBSJPLPLSO-MRXNPFEDSA-N 288.435 3.528 30 20 CHED C=C(CC)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 1123590549 UMLQUJUJEJXUNH-UHFFFAOYSA-N 287.281 3.510 30 20 CHED CCCCCCCCN[C@@H](C)C1CCN(C(=O)OC)CC1 776806614 CRPGPJUTFYCPCU-HNNXBMFYSA-N 298.471 3.803 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1ccc(C#N)cc1OC 1126747797 ZZELFGKMAPEKEJ-CQSZACIVSA-N 288.391 3.656 30 20 CHED Cc1ccc([C@H](C)Nc2ccc(C#N)cc2CO)s1 891963836 MIZKVFKBEXTFFC-NSHDSACASA-N 272.373 3.594 30 20 CHED CCCCC[C@](C)(CC)C(=O)N[C@H](CC)CC#N 781024615 DQUNRVSPOFPWGB-HIFRSBDPSA-N 252.402 3.791 30 20 CHED CC[C@@H](C)NN=C(C)c1cc(Br)cs1 782284782 JQLPHWIWGPQUGL-SSDOTTSWSA-N 275.215 3.623 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H](F)c1ccccc1 784753438 HGLUGEFQQGRAPR-CYBMUJFWSA-N 263.312 3.570 30 20 CHED C=C1CC(c2noc(COc3cc(C)ccc3C)n2)C1 896889718 DKQDNILRFWWORJ-UHFFFAOYSA-N 270.332 3.699 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@@H](C)CCC=C(C)C)CC1 899595312 OOLXOEVMFRKMPG-INIZCTEOSA-N 293.451 3.689 30 20 CHED COCCCON=C(C)c1sc(C(C)(C)C)nc1C 795054709 AMFMJFNTEZCTBV-UHFFFAOYSA-N 284.425 3.526 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)Cc1ccc(C(C)C)cc1 791064970 NMLTXCDRALVKQA-QGZVFWFLSA-N 286.419 3.753 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cn(C(C)C)nc1C 798370267 IAUWTBDWUFDAGD-CLFYSBASSA-N 298.386 3.986 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)C[C@@H](CC#N)c1ccccc1 796829685 MZLYTFRKMNVHTH-HUUCEWRRSA-N 284.359 3.555 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccc(Cl)s1 797888956 VWKAGAXVDGJGII-UHFFFAOYSA-N 281.720 3.532 30 20 CHED CC(C)CSCCCOC(=O)c1ccc(F)c(C#N)c1 792324550 UVYJTYSEWPEIEF-UHFFFAOYSA-N 295.379 3.633 30 20 CHED COc1cccc(/C=C/C(=O)c2cc(C)c(C)o2)c1F 799897275 NNGMQRYLLUQFDD-BQYQJAHWSA-N 274.291 3.940 30 20 CHED C[C@@]1(C=NNc2ncccc2C(F)(F)F)CCCS1 792973973 PGYRXOMMVXENNN-NSHDSACASA-N 289.326 3.784 30 20 CHED CC(C)[C@H](C=NO[C@H]1CCCCO1)c1ccccc1 794524932 WTWMQMWBLRPYHZ-HOTGVXAUSA-N 261.365 3.955 30 20 CHED CC(C)C[C@H]1CCCC(=NOC[C@@H]2CCOC2)C1 794536808 ZCVYLPWQVZMCGX-ZIAGYGMSSA-N 253.386 3.632 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCc2ccc(OCC#N)cc2)C1 792975912 IKGVXYCULRMTJY-IAGOWNOFSA-N 286.419 3.893 30 20 CHED C[C@H](NN=Cc1nccn1-c1ccccc1)c1ccccc1 790159441 GBSJDDNROWEDHF-HNNXBMFYSA-N 290.370 3.557 30 20 CHED C[C@H]1C[C@@H](NC(=O)Nc2sccc2C#N)CC[C@H]1C 1219354789 RVCWSAGSWONXKL-SCVCMEIPSA-N 277.393 3.566 30 20 CHED C[C@H](CCC#N)CN1C[C@@H](C)Oc2c(Cl)cccc21 1308728560 IMTJKSVZYXSJEG-VXGBXAGGSA-N 278.783 3.867 30 20 CHED N#Cc1cc(=NC[C@H]2CCCC[C@@H]2c2ccccc2)cc[nH]1 1163305183 IGCVJWXELPEYIQ-VQIMIIECSA-N 291.398 3.761 30 20 CHED C[C@@H](CNc1ncc(C#N)cc1F)Sc1ccccc1 1162652860 WLUFVWYJEGUYJF-NSHDSACASA-N 287.363 3.685 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)c2ccc(F)c(F)c2)c1 1318750899 ZVUJQEBMJJYPNZ-LBPRGKRZSA-N 299.320 3.713 30 20 CHED C[C@@H]1CN(c2cccc(F)c2C#N)[C@@H]1c1ccccc1 78573414 ZIORNCLYYDFWQK-PXAZEXFGSA-N 266.319 3.895 30 20 CHED Cc1nc(C#N)cc(NCC[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 1163190635 BMRQCXKDMJLGAU-TZMCWYRMSA-N 286.423 3.921 30 20 CHED Cc1ccnc(N[C@@H](C)COCC2CCCCC2)c1C#N 1164185627 OLOMIBJHUUVGOM-AWEZNQCLSA-N 287.407 3.659 30 20 CHED COCCN(Cc1ccccc1)Cc1ccc(C#N)cc1C 186164104 HUOSMSUTZSBELX-UHFFFAOYSA-N 294.398 3.515 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cccc(C(F)F)c2)C1 1321283528 ZODITQCTLVMGPN-FZMZJTMJSA-N 264.319 3.796 30 20 CHED N#CCc1cccc(N[C@H]2CC[C@H](Cc3ccccc3)C2)n1 1320550246 BEPPRACZVNSQQE-AEFFLSMTSA-N 291.398 3.971 30 20 CHED C=CCCCOC(=O)c1sccc1-n1cccc1 735525853 OYPFJSKGJROEKB-UHFFFAOYSA-N 261.346 3.662 30 20 CHED CC1(C)CCC[C@@H]1c1nnc(-c2cccc(C#N)c2)o1 1329323388 HIPPVDRUSYYANE-CYBMUJFWSA-N 267.332 3.902 30 20 CHED Cc1cc2cc(CNc3cccc(CC#N)n3)ccc2[nH]1 1324404418 UTHMHCGOWCNIJH-UHFFFAOYSA-N 276.343 3.550 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1c1cccc(Cl)c1 1323039065 JQUQOQHRTQGAAM-ZDUSSCGKSA-N 299.201 3.939 30 20 CHED COc1cc(CNc2ccc(F)c(C#N)c2)ccc1C 195053963 AZGYEPIZLVGROF-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC(C)[C@@H](C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1334259650 HFLVMMMXNOJGNZ-CYBMUJFWSA-N 270.376 3.736 30 20 CHED C#Cc1ccc(NC(=O)CCCCCCC(C)=O)cc1 1333922637 VQEOTCCOJSZTES-UHFFFAOYSA-N 271.360 3.536 30 20 CHED C=C1CCC(C(=O)NCC(C)(C)c2ccc(C)cn2)CC1 1331483453 MJFGHLFVYCHUFZ-UHFFFAOYSA-N 286.419 3.530 30 20 CHED C=CCCOCCN[C@@H](C)c1cnc2ccsc2c1 90883638 NDILIELTMZDQFI-LBPRGKRZSA-N 276.405 3.540 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)c1cccs1 1335398103 PDQOSCYXQXVWHO-RYUDHWBXSA-N 251.395 3.870 30 20 CHED CO[C@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)C12CCC2 1194385809 SXXZWSPODMHFBM-CVEARBPZSA-N 290.451 3.740 30 20 CHED Cc1ccc2occ(CC(=O)O[C@H]3CC[C@H](C#N)C3)c2c1 1342719274 UCCNDXJCJAHXOV-JSGCOSHPSA-N 283.327 3.519 30 20 CHED CCCCCCCC(=O)N(C)CCc1nccs1 156340150 KLWILSGZHVNOAW-UHFFFAOYSA-N 268.426 3.505 30 20 CHED C=C(C)CCC(=O)[C@H](C#N)c1nc(C(C)C)cs1 1357847223 HULZXHFWFTYIMJ-NSHDSACASA-N 262.378 3.799 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1cc(F)cc(C#N)c1 1438460087 GAYYYZACXRMHTE-LLVKDONJSA-N 262.328 3.708 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 1517998446 TXCGUHYOTRJYFV-SGMGOOAPSA-N 270.376 3.878 30 20 CHED C=C(CC)C(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 1520231257 KUSDIJCOHRTFJL-UHFFFAOYSA-N 299.349 3.998 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc2nc(C)oc2c1 1520767479 OJQSMMLJIMIKIK-UHFFFAOYSA-N 258.321 3.677 30 20 CHED CC(C)(C)CC(=O)COc1nc(C(C)(C)C)ccc1C#N 1459139337 MEVPYBRBLBCKPP-UHFFFAOYSA-N 288.391 3.635 30 20 CHED CCCCCCCCNCc1cn(C)nc1C(F)F 812746597 FBNNOPLTYSPTNC-UHFFFAOYSA-N 273.371 3.808 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1 1466839478 JVRZNFHGTIKMSP-NVXWUHKLSA-N 297.402 3.815 30 20 CHED C=CC[C@H](N[C@H](C)c1cc(Cl)ccc1Cl)C(=O)O 1602841877 ILRNYNNQPOQZHT-PELKAZGASA-N 288.174 3.673 30 20 CHED CCOc1ccc(NC(=O)c2cccc(C#N)c2C)c(F)c1 1536640658 ORDJQOSOHPUPKM-UHFFFAOYSA-N 298.317 3.657 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2csc(Cl)c2)n1 1531702216 BZIQOEQGUVHSTA-UHFFFAOYSA-N 291.763 3.537 30 20 CHED Cc1cnc([C@H](C)Sc2cccc(F)c2C#N)o1 1473037992 TZHIWQTUTXSKNB-VIFPVBQESA-N 262.309 3.847 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H](C)c1ccsc1 1543532395 PNRMSWVNTWDWOV-JTQLQIEISA-N 298.367 3.565 30 20 CHED CN(Cc1cccc(F)c1)C(=O)Nc1cccc(CC#N)c1 1624872749 KXXFULLVTGXOEN-UHFFFAOYSA-N 297.333 3.556 30 20 CHED C[C@@H](NCc1cc(C#N)ccn1)c1ccc(Cl)c(F)c1 1559705477 QJMDBFUOPRIIGO-SNVBAGLBSA-N 289.741 3.597 30 20 CHED CC[C@H](COc1ccc(C#N)c(C)c1)CC(F)F 1613749909 HWRZSNSUIWAHRR-NSHDSACASA-N 253.292 3.927 30 20 CHED Cc1ccccc1SC[C@H](C)CN1CC(C)(C#N)C1 1642930595 QQXFHUAKGGLQEC-CYBMUJFWSA-N 274.433 3.569 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)[C@@H](C#N)CC 1641779665 CPLUIXCRAQSOHT-LSDHHAIUSA-N 266.429 3.991 30 20 CHED Cc1ccc(Cl)cc1CNc1ncc(C#N)cc1F 1640497214 LWFGCOYGVJSXON-UHFFFAOYSA-N 275.714 3.666 30 20 CHED CO[C@@H](COc1nc(C(C)(C)C)ccc1C#N)CC(C)C 1644025628 MXQSEBYSASZKBK-CQSZACIVSA-N 290.407 3.691 30 20 CHED N#Cc1ccnc(CN2CCCCCc3ccccc32)c1 1653647343 RNTNTGOLXNVWLI-UHFFFAOYSA-N 277.371 3.686 30 20 CHED CCCCCCCCCC(=O)N1[C@H](C)CC[C@@H]1C(=O)O 1589645152 RUHVPNSUNXQBJQ-ZIAGYGMSSA-N 283.412 3.591 30 20 CHED Cc1cc(CSc2cccc(F)c2C#N)ccn1 1656593015 NSPHLCLXCOHJEQ-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CC1(C)CN(CCOc2cccc(C#N)c2)c2ccccc21 1659675404 NONQWJMTGOXPKG-UHFFFAOYSA-N 292.382 3.735 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CC1 1585221023 YCXJNPMZUOUQBO-RISCZKNCSA-N 290.794 3.910 30 20 CHED N#Cc1ccc(F)c(CSc2ccc3c(c2)CCO3)c1 1652884815 VBPSLFOGCXLEGT-UHFFFAOYSA-N 285.343 3.925 30 20 CHED CCCCCCC[C@@H](C)CNc1nccnc1C(=O)O 1595704814 HVVSIURAZMPSQO-GFCCVEGCSA-N 279.384 3.583 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2ccc(Cl)cc2s1 136165681 TWXLZOGOUMJSJR-ZDUSSCGKSA-N 293.779 3.828 30 20 CHED C=C(CC)CNc1nc2ccccc2c(C)c1C(=O)O 1776141571 UGRHZDOALZSDOM-UHFFFAOYSA-N 270.332 3.620 30 20 CHED CC(C)(C)c1oncc1/C=C/C(=O)c1cccc(C(=O)O)c1 1776287092 YNAJXUQRHXSPJJ-BQYQJAHWSA-N 299.326 3.566 30 20 CHED CCc1cccc(C)c1NN=Cc1csc(C(=O)O)c1 1776056790 PXUDBSSYSYVYQJ-UHFFFAOYSA-N 288.372 3.763 30 20 CHED O=C(/C=C/c1cc(F)c(C(=O)O)c(F)c1)c1ccccc1 1776114646 VQXFTEKXPGSDKJ-VOTSOKGWSA-N 288.249 3.559 30 20 CHED N#Cc1cccc(CNCc2cccc(C(F)(F)F)c2)c1 19906701 BVIKYFKFTZSCHK-UHFFFAOYSA-N 290.288 3.867 30 20 CHED N#Cc1cccc(-c2csc(NC(=O)CC3CCC3)n2)c1 160894503 FZBQMOWXFZQIHE-UHFFFAOYSA-N 297.383 3.810 30 20 CHED C=CCCSCC(=O)Nc1cccc(Cl)c1 151963088 KCPHLKVQKLJFHF-UHFFFAOYSA-N 255.770 3.588 30 20 CHED C=CCCSCC(=O)N(C)[C@@H]1CCCc2ccccc21 151967002 NQTLMSRZCUCQJL-MRXNPFEDSA-N 289.444 3.832 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(F)c2F)cc1Cl 155513284 VQGQUGKWLPXJFD-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C#CCN(CC1CC1)C(=O)Nc1ccccc1C(F)(F)F 157763445 LQEYBORQVBCQQI-UHFFFAOYSA-N 296.292 3.583 30 20 CHED N#CCCSc1ccccc1NC(=O)C1=CCCC1 154219497 ADMDKGXOROEREK-UHFFFAOYSA-N 272.373 3.741 30 20 CHED CCCCCCCCCNC(=O)Nc1nocc1C 159453879 VODWXHVYKWLYDU-UHFFFAOYSA-N 267.373 3.855 30 20 CHED C#Cc1ccc(CNc2ccc(OC(F)F)cc2)cc1 809596666 OFRDRLHKQLYWDI-UHFFFAOYSA-N 273.282 3.881 30 20 CHED Cc1c(C)c(C)c(CN2CC(C)(C#N)C2)c(C)c1C 1231492164 IBVWHNLDKRFHFO-UHFFFAOYSA-N 256.393 3.574 30 20 CHED CCCC1CCN(Cc2ccc(F)cc2C#N)CC1 1141164912 MYSRMVIKJRCNGZ-UHFFFAOYSA-N 260.356 3.709 30 20 CHED N#C[C@H]1CCC[C@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 227688459 FLZUPKDLMNOXFQ-PRHODGIISA-N 298.173 3.807 30 20 CHED N#Cc1c(F)cccc1OC[C@@H]1CCC2(CCCC2)O1 229497933 DARSIKNZLNTDJF-LBPRGKRZSA-N 275.323 3.568 30 20 CHED C#CCCCCC(=O)Nc1c(F)cccc1Br 121399359 VKJNNAMXPVNWEH-UHFFFAOYSA-N 298.155 3.720 30 20 CHED CC(C)(C)[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 230142233 HDLQDJPQPQUTOR-CQSZACIVSA-N 260.356 3.565 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1F)c1cccs1 230624758 UMVHIXTWVUQLIZ-CYBMUJFWSA-N 274.364 4.000 30 20 CHED CCc1ccc(Oc2nccc(C#N)c2Cl)c(OC)c1 232342322 RMUQUAFEDMLDEH-UHFFFAOYSA-N 288.734 3.970 30 20 CHED CS[C@H]1CCC[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 235174551 OPETWIAVDWRNRY-NEPJUHHUSA-N 291.376 3.553 30 20 CHED CC1=CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 159976207 IUBVMSHHBOZNDE-UHFFFAOYSA-N 266.266 3.733 30 20 CHED N#Cc1cc(NC(=O)CCC2CCCCC2)ccc1F 51637613 HMNHLSTUUPKMDU-UHFFFAOYSA-N 274.339 3.996 30 20 CHED C=C(Br)CNC[C@@H](C)c1cccc(Cl)c1 308975781 GPXNURSDECJUFK-SECBINFHSA-N 288.616 3.942 30 20 CHED Cc1csc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 344566164 WGUPKRVEHOFVGC-UHFFFAOYSA-N 276.748 3.834 30 20 CHED N#CCCC1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 576108680 XJNKKIWXWPDNIU-QZTJIDSGSA-N 268.404 3.806 30 20 CHED N#Cc1ccc(N2CCC[C@H]3C[C@@H]32)cc1C(F)(F)F 588065970 GFXDGDWRDCJIHL-ZANVPECISA-N 266.266 3.566 30 20 CHED Cc1ccc(C#N)cc1NCCCCC1CCOCC1 379911548 SNIJZCZWWDUPDS-UHFFFAOYSA-N 272.392 3.876 30 20 CHED N#Cc1cc(Cl)cc(OCC(=O)C2CCCCC2)c1 382285709 GQPIKYMWAVBHOI-UHFFFAOYSA-N 277.751 3.740 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(OC)cc1OC 393806830 XDBRCCDZXGNBPS-QWHCGFSZSA-N 263.381 3.709 30 20 CHED C#Cc1ccc(CNC[C@H](C)COCc2ccccc2)cc1 809608882 WZMROYWOVNYYKK-KRWDZBQOSA-N 293.410 3.610 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CS1 397919027 KACHMWDOFNXESG-LDYMZIIASA-N 286.322 3.883 30 20 CHED O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 7712431 NRGABSDSSUUYPY-SOFGYWHQSA-N 289.237 3.769 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1 23715182 WTGDMFGHPAAWGL-INIZCTEOSA-N 282.318 3.578 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(C)c1 173734980 BSEYGKWWVQZSIT-CYBMUJFWSA-N 276.380 3.868 30 20 CHED CN(c1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 29147928 PPNIGJLYQULXRU-OAHLLOKOSA-N 293.326 3.590 30 20 CHED COc1ccc([C@@H]2CCCCCN2CCC#N)cc1 52711740 KISLIEDCCKTSJC-INIZCTEOSA-N 258.365 3.526 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(OC(C)(C)C)cc1 177067579 VMSQYIVTBXWYCB-QGZVFWFLSA-N 288.391 3.532 30 20 CHED CCN(Cc1cccnc1OC)[C@H](C)c1ccc(C#N)cc1 176457147 CANFYZBBGWOLCX-CQSZACIVSA-N 295.386 3.545 30 20 CHED CC(C)COC[C@H](NCc1ccc(C#N)cc1)c1ccco1 101596949 OGYGMBDHMVXUIK-KRWDZBQOSA-N 298.386 3.655 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)Cc1ccc(C#N)cc1 176906328 ZRCRNZOHRNLUKG-DLBZAZTESA-N 284.403 3.528 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N(CC)C[C@@H](C)C#N 110634547 SDFCPBNWOJFXQB-ZFWWWQNUSA-N 290.432 3.565 30 20 CHED N#Cc1ccccc1CN1CCC[C@H](Nc2ccccc2)C1 178045771 UVKZSVMIAMNSAZ-IBGZPJMESA-N 291.398 3.635 30 20 CHED N#Cc1cccc(NC(=O)C2CCC(C(F)(F)F)CC2)c1 216269152 NZZINYRHBQXROE-UHFFFAOYSA-N 296.292 3.865 30 20 CHED CN(Cc1cccc(C#N)c1)[C@@H]1CCc2ccc(F)cc21 177683867 JZCBWEYQZZEWOM-GOSISDBHSA-N 280.346 3.817 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N(C)c2cccc(C#N)c2)cc1 180973870 UQYLHOUYPICQSF-HNNXBMFYSA-N 292.382 3.708 30 20 CHED CN(CCCCNCc1ccc(C#N)cc1)c1ccccc1 67217684 GKVYGMLRARISFO-UHFFFAOYSA-N 293.414 3.564 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1ccc(C#N)s1)C2=O 176406915 PZYFRBXIQUIJPM-GHXNOFRVSA-N 295.363 3.895 30 20 CHED N#CCCCCNC(=O)c1ccc(Oc2ccccc2)cc1 171507448 BNMLFCCEJNVGJZ-UHFFFAOYSA-N 294.354 3.903 30 20 CHED CC(C)c1cccc2c1CCN(c1ncccc1C#N)C2 302760460 JZIAEBGJGACQDC-UHFFFAOYSA-N 277.371 3.639 30 20 CHED CCc1ccccc1C(=O)[C@H](C#N)c1nc(C)cs1 178987876 CQNLGWWQEMPQPY-ZDUSSCGKSA-N 270.357 3.504 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)cc1 116933913 SAMBTCMLKKFNGX-QWRGUYRKSA-N 266.772 3.665 30 20 CHED Cc1cccc(C)c1NCC(=O)Nc1cccc(C#N)c1C 178770447 GRNKPVXWGAGWER-UHFFFAOYSA-N 293.370 3.534 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N[C@H](C#N)C2CCCCC2)cc1 182295435 UPNDLTFXSDGYMO-MAUKXSAKSA-N 298.430 3.762 30 20 CHED C=CCC1(C(=O)NCC2(CCOCC)CCCC2)CCC1 189373573 DJHGKGOJBJSLKL-UHFFFAOYSA-N 293.451 3.836 30 20 CHED C=C(C)CNc1nc(-c2ccc(OC)cc2OC)cs1 66938801 OPZMMLQMODUHOA-UHFFFAOYSA-N 290.388 3.815 30 20 CHED COC(=O)c1occc1/C=C1/CCc2ccc(C)cc2C1=O 125412461 MMOUVDHLZHKNFK-RAXLEYEMSA-N 296.322 3.587 30 20 CHED COc1c(Cl)cccc1NCc1ccc(C#N)c(F)c1 479468738 DBQRVFROEVKAJW-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCC[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 69514801 PUWCQVOWGPCWMN-CQSZACIVSA-N 272.392 3.731 30 20 CHED C=C(Br)CN[C@@H](C)c1cc(C)ccc1OC 125076853 MGTDJWXUODJKFN-NSHDSACASA-N 284.197 3.563 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1Cl 182618565 SWOOAVCJNFEYAK-LLVKDONJSA-N 251.757 3.815 30 20 CHED CC[C@H](CC#N)NCc1cnc(C2CCCC2)s1 184097612 VFHXAUPGFRZZLJ-GFCCVEGCSA-N 263.410 3.583 30 20 CHED C[C@@H]1C[C@@]1(NCc1ccc(C#N)o1)c1ccc(Cl)cc1 500414207 GIOLKVRQXDAUAO-BZNIZROVSA-N 286.762 3.830 30 20 CHED C=C(C)CCc1noc(CCc2nc3cccc(C)c3[nH]2)n1 508678097 JHIZYGSABPIVKL-UHFFFAOYSA-N 296.374 3.548 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2cccc(C#N)c2)CC1 328343994 NEYNEZLOZWPVCZ-MQMHXKEQSA-N 256.349 3.713 30 20 CHED C=CC[C@H](C(=O)N1C[C@H]2CCC[C@@H]2C1)c1ccccc1 188526322 OYWOVHJDYVPNPM-ZACQAIPSSA-N 269.388 3.605 30 20 CHED C=CC1CCN(C(=O)c2cc(OC)cc(Cl)c2F)CC1 412101242 UMGJOIHSPLURIX-UHFFFAOYSA-N 297.757 3.526 30 20 CHED C=CCOc1ccccc1C(=O)N(CC)Cc1occc1C 412788734 INQQXMTXXFCSJQ-UHFFFAOYSA-N 299.370 3.815 30 20 CHED C[C@H](OC(=O)CCc1ccc2[nH]ccc2c1)C(C)(C)C#N 181196856 FVGWLWULQTUSLS-LBPRGKRZSA-N 284.359 3.582 30 20 CHED C=CCCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 182855624 ZZUQNLIGAYQRPB-GFCCVEGCSA-N 287.329 3.505 30 20 CHED CC[C@H](C#N)Sc1nc2ccc(Cl)cc2[nH]1 126967397 XKYKJUBLGJKUBY-MRVPVSSYSA-N 251.742 3.611 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(c2ncc(C#N)cc2F)C1 413161973 DXSQFQQESQXRJD-MEDUHNTESA-N 299.324 3.819 30 20 CHED CC(C)(NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 74628646 CRTFOZWVGTYDDS-UHFFFAOYSA-N 279.343 3.615 30 20 CHED N#CCCCCNC(=O)c1cccc(Cc2ccccc2)c1 412004601 DDVHMDOJBHYBKD-UHFFFAOYSA-N 292.382 3.701 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(CSC)cc1 181686731 GLSCYLQHATXHDY-UHFFFAOYSA-N 264.394 3.589 30 20 CHED CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCC[C@H]1C(C)(C)C 416317591 XBUXXDFGNRIUPG-HZPDHXFCSA-N 284.403 3.845 30 20 CHED C=CCOc1cccc(NC(=O)N2CCCC[C@@H](C)C2)c1 186436018 DJWOWUPTSOYCSM-CQSZACIVSA-N 288.391 3.905 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1 217020456 ICJMKXJQRMDERC-YWEYNIOJSA-N 257.720 3.940 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 78560803 YLYPUZBUKHCJRM-BQYQJAHWSA-N 289.237 3.769 30 20 CHED CC1(CNC(=O)c2cccc(SCC#N)c2)CCCC1 79472517 DNKUMXPADIGSFP-UHFFFAOYSA-N 288.416 3.612 30 20 CHED C=CCC[C@H](NCCC[C@H]1CCCCO1)C1CC1 183997200 IFAFHTSKJGSWQY-CVEARBPZSA-N 251.414 3.670 30 20 CHED C[C@@H]1CSCCN(CCC2(C#N)CCCCC2)C1 411638535 UUPLGDVGCCTSOE-AWEZNQCLSA-N 266.454 3.535 30 20 CHED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CC1 77687447 PBDKVGVNQHTHIM-UHFFFAOYSA-N 268.341 3.635 30 20 CHED C[C@H](C#N)Nc1cc(Cl)ccc1OC1CCCC1 186538512 QTCWUNOFBXUCEQ-SNVBAGLBSA-N 264.756 3.985 30 20 CHED C=CCCC1(C(=O)Nc2ccc(CO)c(Cl)c2)CC1 416208407 ZTSXSBLTURVHQQ-UHFFFAOYSA-N 279.767 3.517 30 20 CHED Cc1noc(C2CC2)c1NC(=O)Nc1ccc(CC#N)cc1 137114286 SSKSOODEBMADMX-UHFFFAOYSA-N 296.330 3.571 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C)[C@H](C)C1)c1ccccc1 132188759 MLHBCMUYCSJLHJ-BZUAXINKSA-N 271.404 3.851 30 20 CHED Cc1nc(C)c(C/N=C(/O)[C@@H]2C[C@@H]2C2CCCCC2)o1 329198762 VSMITZNTYUFGTF-ZIAGYGMSSA-N 276.380 3.964 30 20 CHED CCOC(=O)[C@@H](SCCC#N)c1cccc(Cl)c1 413017290 YOYFFCMDMRMGIO-LBPRGKRZSA-N 283.780 3.591 30 20 CHED CC(C)CC[C@H](C)Nc1ccc(F)cc1OCC#N 136890897 IWSDEGBWFJQWSY-LBPRGKRZSA-N 264.344 3.965 30 20 CHED CCCc1nc(CNc2cccc(CC#N)c2)cs1 453143934 JUFYGNYAUDFYSK-UHFFFAOYSA-N 271.389 3.774 30 20 CHED CCc1onc(C)c1N/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 328879234 JSZCKVZOSFLBNC-YNEHKIRRSA-N 291.395 3.840 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1C 41545223 AJKGUHYOGIHLCQ-AWEZNQCLSA-N 290.322 3.935 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](c1ncccc1C)C(C)C 133826601 LRQBYYKEKFNGNE-INIZCTEOSA-N 286.419 3.972 30 20 CHED N#Cc1ccc(NCC2CCC2)c(C(F)(F)F)c1 84219296 FSUYUISTKHXQRG-UHFFFAOYSA-N 254.255 3.789 30 20 CHED N#CCSCCCN1CC2(CCCC2)c2ccccc21 83243889 QUWIUOLRAGGZQI-UHFFFAOYSA-N 286.444 3.965 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1ccc(SC)cc1 194854031 TZWJUGULYFTCMJ-LBPRGKRZSA-N 262.374 3.816 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCCc2sccc21 424774886 HIBOCACMIXTXEO-LBPRGKRZSA-N 263.406 3.844 30 20 CHED Cc1cc(/C(O)=N/C2CCC(c3ccccc3)CC2)cnn1 329878598 LAXPSEFUBJJAGA-UHFFFAOYSA-N 295.386 3.816 30 20 CHED CN(CCCC(C)(C)C#N)C1CC(OC(C)(C)C)C1 420999692 CPKFFVXSZAVAON-UHFFFAOYSA-N 266.429 3.594 30 20 CHED C[C@H](/N=C(/O)Nc1cccc2ccsc12)[C@@H]1CCCO1 328830272 RBLUTKAKQXPECC-GWCFXTLKSA-N 290.388 3.795 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(OC)CCCCC1 193045116 ORIMJEVIWOFPOQ-UHFFFAOYSA-N 293.432 3.612 30 20 CHED N#CC1(CCCN2CCC[C@H]3CCCC[C@@H]32)CCOCC1 337123060 BPTAQVQURJSZLU-SJORKVTESA-N 290.451 3.742 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OC)c(Cl)c1 192567574 ZFRNWAAIWDMYIC-UHFFFAOYSA-N 280.755 3.555 30 20 CHED CC(C)CC[C@H](C)/N=C(/O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 330525437 VHWUBEIOQKNJNW-ZNMIVQPWSA-N 298.471 3.908 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1 191602254 PRAAHEKROMGXCN-AUUYWEPGSA-N 293.414 3.700 30 20 CHED N#C[C@H]1CC[C@@H](NCCCc2c(F)cccc2Cl)C1 425352236 KHFMUTILTBBZRA-NWDGAFQWSA-N 280.774 3.694 30 20 CHED CC[C@@H]1CCCC[C@H]1/N=C(/O)c1scnc1COC 330479923 ZNJVOXCAHCGMPT-GHMZBOCLSA-N 282.409 3.563 30 20 CHED Cc1nnccc1N/C(O)=N/[C@@H]1CCC[C@@H](C(C)C)CC1 330130398 OYSYPFAGCHYDOR-ZIAGYGMSSA-N 290.411 3.716 30 20 CHED C=C(C)CN1CCC(CCc2ccc(O)cc2)CC1 517817550 MSXKUEZQSIHUFV-UHFFFAOYSA-N 259.393 3.613 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C12CCC(CC1)C2 335130675 GDDSSODHJDJAEY-VNSJNIRKSA-N 282.387 3.658 30 20 CHED CCC(C)(C)C1CCC(N/C(O)=N/CCCC#N)CC1 330814532 CQLQUCLWOFMNNK-UHFFFAOYSA-N 279.428 3.789 30 20 CHED N#Cc1ccc(-c2nc([C@H]3CCc4ccccc43)no2)s1 230998068 ZHXSOPNCTHEKEP-ZDUSSCGKSA-N 293.351 3.748 30 20 CHED CC1(C)CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1 333599309 UVGGYCBGEPBSJN-QGZVFWFLSA-N 274.408 3.545 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccc2[nH]ccc12 93101293 WRUHPUAYFXJIFF-UHFFFAOYSA-N 269.392 3.930 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 513181816 DFZURNURFDKQQF-CHWSQXEVSA-N 257.381 3.958 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCO[C@H]2c2ccccc2)CC1 336208303 AKYMRGKYUCXNSL-UMQBVGHOSA-N 284.403 3.579 30 20 CHED CCN(CC1CCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 431437294 ZMMJHMUESWLVHP-UHFFFAOYSA-N 291.782 3.866 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccc(O)c1)CO2 141662106 NQMYEDIHFOLRGK-RIYZIHGNSA-N 280.323 3.668 30 20 CHED C=CCCC(=O)Nc1cc(F)c(Br)c(F)c1 180527372 BFIQGOAYYBLYBU-UHFFFAOYSA-N 290.107 3.632 30 20 CHED C[C@@H](CNc1nc2c(cc1C#N)CCCC2)c1nccs1 230608843 LSBMTVNZHKFSFU-NSHDSACASA-N 298.415 3.504 30 20 CHED C=CCNC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C 434200624 JXCFZRRGHHDVIT-SECBINFHSA-N 299.201 3.808 30 20 CHED OC(=Nc1nc2ccsc2s1)[C@@H]1CCCOCC1 330157886 ZNHXTJANAOHXLA-MRVPVSSYSA-N 282.390 3.763 30 20 CHED C=CCC[C@H](C)Nc1cc(C(=O)NCC2CC2)ccc1C 439078084 OSVCZKGYKHEZNL-AWEZNQCLSA-N 286.419 3.901 30 20 CHED Cc1oc(C#N)cc1C(=O)NCCCCCc1ccccc1 435690923 IWZGIKQVPXFZGJ-UHFFFAOYSA-N 296.370 3.603 30 20 CHED C=C1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CC1 342109200 VGWOVEGZNZXUSJ-UHFFFAOYSA-N 294.398 3.839 30 20 CHED COc1ccc(CN2CC3(CCC3)[C@@H]2C(C)C)cc1C#N 430108611 UKGIGCKGYMMRSI-KRWDZBQOSA-N 284.403 3.577 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CCC(C)(C)CC1 435731545 KTZIMIXSKCWDQA-ZFWWWQNUSA-N 251.414 3.526 30 20 CHED N#CCC1(CNCc2nc(-c3ccccc3)cs2)CC1 430020141 JAOIYYWMCSXBEU-UHFFFAOYSA-N 283.400 3.594 30 20 CHED C=CCOc1cccc(CN[C@@H](C)c2ccnc(OC)c2)c1 342292252 FZGRQFJEFWJYLM-AWEZNQCLSA-N 298.386 3.506 30 20 CHED CS[C@@H](C)C(=O)Nc1ccccc1C#Cc1ccccc1 349165805 DZFWIROFFIKTLB-AWEZNQCLSA-N 295.407 3.776 30 20 CHED CC[C@H](NC(=O)c1cccc(SCC#N)c1)C(C)(C)C 430693290 MZXWPJVNIYJNKT-AWEZNQCLSA-N 290.432 3.857 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(N(C)CCC)cc1 343892276 OYYXLLFIMIYZGM-UHFFFAOYSA-N 274.408 3.571 30 20 CHED Cc1[nH]c2ccccc2c1C1CCN(CC2(C#N)CC2)CC1 343165367 ZEIMAUSKMUWKOK-UHFFFAOYSA-N 293.414 3.960 30 20 CHED C=C(C)CN(CC)c1nccc(Oc2ccccc2)n1 433019401 NQTUWBZLJMOBIU-UHFFFAOYSA-N 269.348 3.671 30 20 CHED C=CCn1c(C)cc(C(=O)COc2ccccc2C)c1C 248049505 APSDPMJLUXPYNA-UHFFFAOYSA-N 283.371 3.861 30 20 CHED C[C@@H](CCC#N)CNCc1ccnc(Oc2ccccc2)c1 602508252 LMZGQBWGRLXOJA-HNNXBMFYSA-N 295.386 3.903 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C)C(F)(F)F 345972069 CYFZABUDQUNZLP-VIFPVBQESA-N 289.322 3.645 30 20 CHED CCc1cccc(CNc2cc(F)cc(C#N)c2)c1 600855429 CTNXFZMPNFDBTQ-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C=CCc1cc(CNC2(C)CCCC2)cc(OC)c1O 522213309 XJTAKEQUZGENNI-UHFFFAOYSA-N 275.392 3.552 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccnc1C)CO2 255005939 QXYUWIZJIRWTDF-OQLLNIDSSA-N 279.339 3.666 30 20 CHED COc1cccc2c(NCC(C)(C)CCC#N)ccnc12 340888531 FLIGYPWIVWBVHR-UHFFFAOYSA-N 283.375 3.985 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)Cc1c(C)noc1C 449159957 JYFRVUKHBSFZAR-STQMWFEESA-N 264.413 3.947 30 20 CHED CCN(CC1(C#N)CC1)c1ccc(Cl)c(F)c1 440637653 MVOQUQKFXINEAV-UHFFFAOYSA-N 252.720 3.609 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)c1cc(C)c(C)o1 602387206 OVBJZKVLLLGUHJ-UHFFFAOYSA-N 286.306 3.514 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 355488284 VYQLMUICVHGSNS-IMRBUKKESA-N 286.375 3.578 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](C)c2ccco2)c1 607490448 XWPMXVHVLUUPSE-ZDUSSCGKSA-N 285.343 3.977 30 20 CHED C/C(=C/c1ccccc1OC(F)F)CN(C)[C@H](C)CC#N 356219675 HICIYOULJBUNRM-KXXVWKPMSA-N 294.345 3.925 30 20 CHED N#Cc1cc(NC(=O)N2CCC[C@H]2C2CCCCC2)ccn1 603140683 YUCUKHLKYYWRCB-INIZCTEOSA-N 298.390 3.530 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)CCC 601877534 NLZGDZXTSNGVIT-AWEZNQCLSA-N 266.429 3.953 30 20 CHED CCS[C@@H]1CCC[C@H](NC[C@H](C)CCC#N)C1 602567895 LUQVSEWCIPAZAN-HZSPNIEDSA-N 254.443 3.580 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)c(C(C)=O)c1 356039851 WBWOWBUQXMAMDD-UHFFFAOYSA-N 275.323 3.735 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 608960601 QXSYERIAZDQLOC-HZSPNIEDSA-N 264.413 3.647 30 20 CHED C=C(CC)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 352818536 UQVQGIDUPHSFDG-CQSZACIVSA-N 288.218 3.973 30 20 CHED CC(C)C[C@H]1CCCN(Cc2cc(C#N)cs2)C1 539824621 HCESGLYNGFVULJ-CYBMUJFWSA-N 262.422 3.878 30 20 CHED C=CC1CCN(C(=O)N[C@H](CC)C2CCCCC2)CC1 600867576 NMVPTRPHJNHANW-MRXNPFEDSA-N 278.440 3.953 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccc(O)cc1)Cc1ccco1 602460413 RUFYSTXKVHAMKH-HNNXBMFYSA-N 298.386 3.927 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 602554422 CMSGTXNPVYVELB-LTIDMASMSA-N 290.451 3.644 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 356771504 QVOVPNTXMBPPCC-IRXDYDNUSA-N 299.414 3.769 30 20 CHED Cc1cccc(N2CC=C(c3ccc(C#N)cc3)CC2)n1 354795476 UNGABEYVZHYQBR-UHFFFAOYSA-N 275.355 3.555 30 20 CHED C=CCCCCCN(C)C(=O)CC[C@@H](C)SC 536923813 GADYLMFNDSBIQK-CYBMUJFWSA-N 257.443 3.723 30 20 CHED CC(C)c1ccc(-c2noc(-c3ccc(C#N)cc3)n2)cn1 445499335 ARJSGVBBCPTQEM-UHFFFAOYSA-N 290.326 3.794 30 20 CHED C=CCOCCCC(=O)N(CC)c1ccc2[nH]ccc2c1 350317733 FFIWAOUONOAWKO-UHFFFAOYSA-N 286.375 3.504 30 20 CHED CCN(C(=O)[C@H]1CC12CCC2)c1ccc(C#N)c(Cl)c1 611359566 OUSNUHPNJAGUCK-CYBMUJFWSA-N 288.778 3.755 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1cccc(C#N)c1F 445878129 FDRQCKJKXKHAFS-GFCCVEGCSA-N 288.288 3.764 30 20 CHED C=CC1CCN(Cc2c[nH]nc2-c2cccc(C)c2)CC1 539829257 LXESVEBJGCZNEK-UHFFFAOYSA-N 281.403 3.783 30 20 CHED C=C(C)CCc1noc(-c2cnn(CCCC)c2C)n1 351639772 DIUUDIJLIZRWMB-UHFFFAOYSA-N 274.368 3.550 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)NCC(C)(C)CCCc1ccccc1 449862546 ACUJDUAEWKTJNN-HNAYVOBHSA-N 298.430 3.701 30 20 CHED C=C[C@@H](CC(=O)NCC(C1CC1)C1CC1)c1ccccc1 533956380 ICZMOBYYWHBOHZ-AWEZNQCLSA-N 283.415 3.899 30 20 CHED C=CCCCC[C@H](C)Nc1cccc(Cn2cncn2)c1 449040068 FVDLUJJUFPKNOG-HNNXBMFYSA-N 284.407 3.873 30 20 CHED C=CCCC1(C(=O)NCc2cccc(OC(F)F)c2)CC1 355409864 FNZJDGLHBQIXHN-UHFFFAOYSA-N 295.329 3.651 30 20 CHED C[C@]1(CCc2ccccc2)CCN(c2cccc(C#N)n2)C1 531193960 IWMGKCGEVKYVHZ-IBGZPJMESA-N 291.398 3.802 30 20 CHED C=C(CC)CSc1nnc(-c2ccco2)n1CC 358554171 IQCVLEXIENXBTR-UHFFFAOYSA-N 263.366 3.616 30 20 CHED C=CCCc1noc(Cc2ccc(OC(F)F)c(F)c2)n1 453228178 ZLGNUAYMEGGVKN-UHFFFAOYSA-N 298.264 3.520 30 20 CHED N#Cc1ccc(NCc2ccc(F)cn2)c(C(F)(F)F)c1 361708076 LPRKFWTZWJFSEN-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ncc(C)s2)CCCC1 450067801 PZTFLZJBVGHGIF-LBPRGKRZSA-N 278.421 3.765 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cc3c(s2)CCCC3)C1 618566890 QHGFXPBZTULONI-TZMCWYRMSA-N 274.433 3.799 30 20 CHED CCCCCCCCCCC(=O)N(C)Cc1cnccn1 265507480 ZCBQTKSFZQZVBG-UHFFFAOYSA-N 291.439 3.966 30 20 CHED N#Cc1cccc(COc2ccc(OCC3CC3)cc2)c1 536117111 OCPAWGZYFVJGEG-UHFFFAOYSA-N 279.339 3.926 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CCCC(=O)C1CC1 451328879 WEVDSOAXGPFUMT-UHFFFAOYSA-N 299.414 3.741 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(OC(F)F)c2)C1 617789220 AQLRGJFWZXWCQX-LBPRGKRZSA-N 295.329 3.716 30 20 CHED C[C@@H](CCc1ccco1)N[C@H]1CCc2cc(C#N)ccc21 618805900 PKCJLRZVMOAPME-UGSOOPFHSA-N 280.371 3.749 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccco1 453332545 AXQHVAUELXKXHI-HZSPNIEDSA-N 271.364 3.779 30 20 CHED C=CCCCN1CCC[C@@H]1c1ccc(Br)cn1 549686487 AHZGEGHBKLIDAS-CQSZACIVSA-N 295.224 3.947 30 20 CHED C[C@H](NC(=O)N(C)Cc1cccs1)c1cccc(C#N)c1 610356444 SHJJXMFOPGSJHB-LBPRGKRZSA-N 299.399 3.522 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C2CC2)c(C)c1 455184157 QLAHQAYHSZFMSV-UHFFFAOYSA-N 258.365 3.960 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1cc2ccccc2o1 276094239 QLKRZMUWMJRTDJ-LBPRGKRZSA-N 272.348 3.711 30 20 CHED Cc1ccc(CCCN[C@@H]2CC[C@@H](C#N)C2)c(C)c1 619672185 YBZFWNGGHHAAJP-NVXWUHKLSA-N 256.393 3.518 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(OC(C)C)cc1Cl 275522032 WELMJVJQHFTHCV-UHFFFAOYSA-N 294.782 3.614 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)o1 547328441 MVGNAZWFRNOSMI-YGRLFVJLSA-N 297.314 3.795 30 20 CHED CCCC[C@@H](COC)NCc1ccc(C#N)c(Cl)c1 619755089 SSWBOOVXDDTASH-AWEZNQCLSA-N 280.799 3.506 30 20 CHED C=C(C)CCNC(=O)C(C)(C)Cc1cccc(Cl)c1 456123139 PQRVONRPSSSIST-UHFFFAOYSA-N 279.811 3.991 30 20 CHED C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)CCC[C@H]1C 548279395 MMTWTEQIVDQPTN-ZETOZRRWSA-N 290.794 3.766 30 20 CHED C=CCC1(CNc2ccc(S(C)(=O)=O)cc2)CCCC1 450847165 QPJNEYWCBOIJMJ-UHFFFAOYSA-N 293.432 3.639 30 20 CHED C=CC[C@@H]1N(C(=O)CCc2cscn2)CCCC1(C)C 278522909 ZEGOEBJCALPJOX-AWEZNQCLSA-N 292.448 3.669 30 20 CHED N#C[C@H]1CC[C@@H](Sc2ncccc2Br)C1 278631071 UDFCTWRZJXSWJV-DTWKUNHWSA-N 283.194 3.628 30 20 CHED C=CCOc1c(Cl)cc(CN[C@H](C)CC=C)cc1OC 623422699 AWCLQAUONXPIAJ-GFCCVEGCSA-N 295.810 3.968 30 20 CHED C=CCCCC(=O)Nc1c(O)ccc(Br)c1C 452760713 WNBNVCAGZQLELP-UHFFFAOYSA-N 298.180 3.758 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCc1nccs1 360841649 SLPDNEKHHUEDEK-INIZCTEOSA-N 297.427 3.615 30 20 CHED C[C@@H](CCc1cccc(C(F)(F)F)c1)NCCCC#N 273167527 BCLGJOAMAOYWMZ-LBPRGKRZSA-N 284.325 3.920 30 20 CHED C=CCCN1CCc2cc(Br)cc(F)c2C1 549039967 LEUZFGYKIIOOLX-UHFFFAOYSA-N 284.172 3.522 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 455329406 SRZPTPMMGNBVGI-HOCLYGCPSA-N 272.392 3.745 30 20 CHED CC(C)[C@@H](CNCC(C)(C)CC#N)c1ccccc1 459739878 ZOIFMAOALJUMNC-MRXNPFEDSA-N 258.409 3.956 30 20 CHED C[C@@H]1CC(NC(=O)c2ccc(C#N)c(Cl)c2)C[C@@H](C)C1 548290024 WELFKAUOPIGPOM-QWRGUYRKSA-N 290.794 3.766 30 20 CHED C=C[C@H](CC(=O)NCC(C)(C)C=C)c1ccccc1 452775319 NWYFZUHHACAENH-CQSZACIVSA-N 257.377 3.675 30 20 CHED Cc1ccnc2ccc(C(=O)Nc3sccc3C#N)cc12 360924204 OTFCCJWXYJACLY-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@H]2CCCC[C@H]12 543893484 VOGNKIIKCBLWLU-WQVCFCJDSA-N 272.367 3.708 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(OCC)cc1C)OCC 270008412 DPOUYXRACKWLCS-INIZCTEOSA-N 291.391 3.704 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C2CC2)c(C)c1 469816298 DPJCPJMIPOKYQV-IAGOWNOFSA-N 285.387 3.792 30 20 CHED N#Cc1nnc2ccccc2c1N[C@@H]1C[C@@H]1C1CCCCC1 462894776 IXGDYNGKIKGRNC-GDBMZVCRSA-N 292.386 3.882 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(F)cc1Cl 468026661 PGPOJEAYVQUOIB-OAHLLOKOSA-N 283.774 3.740 30 20 CHED C=C(C)CCc1noc(Cc2cc(F)c(F)cc2F)n1 285280636 ZSQXRISOYDYFKR-UHFFFAOYSA-N 282.265 3.586 30 20 CHED C=CCOCCOc1ccccc1C(=O)Nc1ccccc1 554971511 SYCNUSITLLZQQT-UHFFFAOYSA-N 297.354 3.520 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 280219051 QRHTWFFEHFJVCS-KKUMJFAQSA-N 299.418 3.761 30 20 CHED C=CCn1c(C)nnc1N(C)Cc1ccc(C(C)(C)C)cc1 558663382 KDHCBVKRYIULMN-UHFFFAOYSA-N 298.434 3.706 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(C)c(OC)c2)n1 556362957 ALDGXPABDDRHQD-UHFFFAOYSA-N 286.375 3.831 30 20 CHED CC[C@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 464476476 XLNPZVBOWJQGCS-HOTGVXAUSA-N 284.403 3.721 30 20 CHED C=C(C)CCc1noc([C@H](C)Oc2ccccc2)n1 285110924 LUZBQMTWEGLTNW-LBPRGKRZSA-N 258.321 3.718 30 20 CHED CC1=C(C)CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 280542911 MEYUNFCQWGDMEA-UHFFFAOYSA-N 289.766 3.786 30 20 CHED CC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 463666768 UBYKUARFRIAPNX-OAHLLOKOSA-N 295.342 3.900 30 20 CHED COc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 556604174 ZPGDZUIRAVKZJC-CQSZACIVSA-N 292.382 3.907 30 20 CHED CC(C)(C(=O)N1CCc2ccc(C#N)cc21)C1CCCC1 550154958 VIGPJXZLQBGWDK-UHFFFAOYSA-N 282.387 3.664 30 20 CHED C=CCCCCNC(=O)Nc1ccnn1-c1ccccc1C 473773941 DOUKSDZYBLIVRW-UHFFFAOYSA-N 298.390 3.659 30 20 CHED CC(C)C[C@H](C)CC(=O)OCCCC1(C#N)CCOCC1 800160818 ZJEPEMPKZJQCCS-HNNXBMFYSA-N 295.423 3.702 30 20 CHED Cc1cc(OC(=O)C2(F)CCCC2)c(C)c(C)c1C#N 809034974 SETGHWUWMKFEPS-UHFFFAOYSA-N 275.323 3.671 30 20 CHED C=C(C)COCCNC(=O)N(CCC)CC1CCCCC1 475060591 DBTZLCLTWMDESJ-UHFFFAOYSA-N 296.455 3.581 30 20 CHED C=CCN(Cc1ccc(N2CCCC2)nc1)c1ccccc1 472605621 JGHUPQMGXXZHRT-UHFFFAOYSA-N 293.414 3.874 30 20 CHED C=CCC(C)(C)C(=O)NCCc1c(C)[nH]c2ccccc12 292264248 NIFWMWAVDAISCL-UHFFFAOYSA-N 284.403 3.737 30 20 CHED CCc1ccc([C@@H]2CCCCCN2CCO[C@H](C)C#N)o1 801922912 SNTQSYSQSJAQEN-ZBFHGGJFSA-N 290.407 3.688 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(OC2CCCC2)cc1 806194841 LHEVYVGJVRNBCR-ZDUSSCGKSA-N 286.375 3.541 30 20 CHED C[C@@H](C[C@@H]1CCCO1)Nc1cc(C#N)ccc1C(F)(F)F 475430858 SCKLDDZMSVFCPG-JQWIXIFHSA-N 298.308 3.947 30 20 CHED Cc1c(C(=O)OCCCC#N)sc2cc(F)ccc12 805706329 FSPWZZCYSJAZGN-UHFFFAOYSA-N 277.320 3.809 30 20 CHED C=CCCCCNC(=O)c1cc(C)nc2ccc(OC)cc12 471706999 UJFLCIPGJLNNKO-UHFFFAOYSA-N 298.386 3.638 30 20 CHED C#C[C@H](NC(=O)C1(CCC)CC1)c1ccc(Cl)cc1F 804416576 PRBIRWLLSIPFBT-AWEZNQCLSA-N 293.769 3.850 30 20 CHED N#Cc1cnccc1/C=C\c1cccc(Br)c1 470289180 MLHMFRJQRRGSDA-PLNGDYQASA-N 285.144 3.886 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](CC)Cc1ccc(C)cc1 472572262 AHZASYNWHZWMHD-QZTJIDSGSA-N 275.436 3.575 30 20 CHED C=CCOc1ccc(CNc2cc(Cl)nc(C)n2)cc1 804773483 LEVZWYLDQOUYDV-UHFFFAOYSA-N 289.766 3.615 30 20 CHED C=CCCC1(C(=O)NCCOc2ccc(Cl)cc2)CC1 474290737 IXTBDKMDRXDKNH-UHFFFAOYSA-N 293.794 3.581 30 20 CHED C[C@@H](Nc1ccc2c(n1)CCCC2=O)c1ccc(C#N)cc1 296497765 LKYRLNOQTZVJRI-GFCCVEGCSA-N 291.354 3.645 30 20 CHED Cc1ccc(OC(=O)[C@@]2(C#N)CC23CCCC3)cc1C 297771284 HFPUZCPMJXJKFI-KRWDZBQOSA-N 269.344 3.683 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCCCCCC1 809882024 PVFZMLXVLOROHO-UHFFFAOYSA-N 274.412 3.502 30 20 CHED C=CCC1(NC(=O)CC2CCSCC2)CCCCC1 562629986 XMIZYYJYZTXGTQ-UHFFFAOYSA-N 281.465 3.915 30 20 CHED CC(C)SCCn1ccc(-c2ccc(C#N)cc2)n1 800868554 SRANZVCWASBVQM-UHFFFAOYSA-N 271.389 3.563 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC=CC[C@H]1C 568074466 IVCNOMYRXNISCD-UKRRQHHQSA-N 298.386 3.886 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc2c(C)cccc2s1 814806613 IOXBUCNSVRUTEZ-UHFFFAOYSA-N 282.315 3.755 30 20 CHED CCOc1ccc(C=NOCCC2CC2)cc1OCC 814245466 TWRBGTMMPDPQDY-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C[C@@H](N=c1cc[nH]c(C#N)c1)c1cccc2ccccc12 561089804 LJZGSWPGYFXARY-CYBMUJFWSA-N 273.339 3.701 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC(CCC(C)C)CC1 560592673 BDIJWWUKUMEFND-INIZCTEOSA-N 264.413 3.601 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H]1CCCc2ccccc21 565936578 PBUAUWYVNPSMRA-MRXNPFEDSA-N 272.392 3.672 30 20 CHED COc1ccc(C=NNc2ccc(F)c(F)c2F)cc1 814945749 OLIOLPBJJGNKPF-UHFFFAOYSA-N 280.249 3.559 30 20 CHED N#Cc1cccnc1/C=C/c1ccc(Cl)c(F)c1 486054883 RGWUFZWYKGKRGG-GQCTYLIASA-N 258.683 3.916 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H](c3ccccc3)C2)C1 488459090 CSLCJXVZCXARKI-BGTYHANMSA-N 268.404 3.995 30 20 CHED CC(=NOC1CCC1)c1ccc(Br)c(F)c1 812234938 CZNPRCDVWDMVEJ-UHFFFAOYSA-N 286.144 3.881 30 20 CHED C=CCCCCCN1CCc2c(ccc(OC)c2OC)C1 488111853 GXIXNTXXVMLFCD-UHFFFAOYSA-N 289.419 3.808 30 20 CHED N#Cc1cc(C(=O)N2CC3(CCCCC3)C2)ccc1Cl 571789321 PSKVDDQCIXLWPY-UHFFFAOYSA-N 288.778 3.618 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCC[C@@H](OC)C1 814418231 HLMIHXLIDGREDV-HZPDHXFCSA-N 281.440 3.834 30 20 CHED c1nc(NN=C2CC[C@@H]2C2CCC2)c2ccsc2n1 814767349 IDDKRSFAFBGAGH-SNVBAGLBSA-N 272.377 3.669 30 20 CHED Fc1cc(F)cc(NN=Cc2cccc3cc[nH]c23)c1 814813773 YVCKDRMSBNATNW-UHFFFAOYSA-N 271.270 3.892 30 20 CHED N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)s1 487280211 QGAOFSJJBCLJBC-INIZCTEOSA-N 296.395 3.891 30 20 CHED C[C@H]1CN(CCCSCC#N)c2cccc(Cl)c2O1 577765562 FHTAGFPVGRIQQJ-NSHDSACASA-N 296.823 3.574 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3nc(C)cs3)c2c1 488273490 FHWVUOYJAHCXLQ-UHFFFAOYSA-N 295.367 3.759 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H]1COc2ccccc21 578396669 YTUXUYDDRHYEDB-HUUCEWRRSA-N 259.393 3.887 30 20 CHED O=C(/C=C\c1cccnc1)c1nccc2ccccc12 811698888 MUVSUKSJLPGEEU-FPLPWBNLSA-N 260.296 3.526 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCOCc1ccccc1 488824272 MXTWHELUVMASHH-KRWDZBQOSA-N 287.403 3.551 30 20 CHED C=C(C)[C@H](NCCSCC)c1ccc(F)c(F)c1 481591748 IRYWNCYBHYRIGR-AWEZNQCLSA-N 271.376 3.925 30 20 CHED C#Cc1ccc(C(=O)OCCCCCCCCC)nc1 729007503 XMQFAZZBAXCREE-UHFFFAOYSA-N 273.376 3.970 30 20 CHED C#Cc1cccc(NC(=S)Nc2cc(F)ccc2F)c1 726435069 YOSOORSQOJAIOL-UHFFFAOYSA-N 288.322 3.755 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cc(F)ccc1OC 812244163 ZTFGVGQYFNPYJZ-GQCTYLIASA-N 285.318 3.688 30 20 CHED CC(C)c1ccc(CCCNCc2cc(C#N)n(C)c2)cc1 480372498 ZMIZMOAERIJWGA-UHFFFAOYSA-N 295.430 3.743 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1Nc1cnn(Cc2ccncc2)c1 657955178 FCHYBAHJIFVAKA-AEFFLSMTSA-N 296.418 3.873 30 20 CHED N#CC1(C(=O)OCCc2c(F)cccc2F)CCCCC1 828781201 DQDJZSGRVYOXCW-UHFFFAOYSA-N 293.313 3.525 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CC[C@H]1CC1(Cl)Cl 824645478 JTTOLZJGFBOJFS-NSHDSACASA-N 297.185 3.779 30 20 CHED C/C(=C/C(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccco1 827855471 DMPHIXGLQCDERZ-MOJYJUKOSA-N 286.375 3.662 30 20 CHED C=CCC1(NC[C@H](C)c2ccccc2)CCOCC1 668551725 VFPZAPHTCKLAQR-HNNXBMFYSA-N 259.393 3.505 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1cc(F)ccc1F 727258343 GDSXVDNOUIMVSA-UHFFFAOYSA-N 298.296 3.744 30 20 CHED CCOc1ccccc1COc1ccc(C#N)c(OC)c1 580516016 CIPRMFLEDJGUNF-UHFFFAOYSA-N 283.327 3.545 30 20 CHED C[C@H]1CC[C@@H](CCC(=O)OCCCCC2(C#N)CCC2)O1 909036300 WTGLUWQAXKAZPC-GJZGRUSLSA-N 293.407 3.741 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)c1ccc(C#N)cn1 589794632 GFIYNLUAEUWKQT-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C#CCOc1cccc(NC(=O)c2cc(C)c(CC)s2)c1 730975913 QLIHTZZXYOYISB-UHFFFAOYSA-N 299.395 3.883 30 20 CHED N#Cc1ccc(N2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 583097229 YATDMIQLWBETFQ-KRWDZBQOSA-N 298.773 3.869 30 20 CHED C[C@H]1CN(C(=O)CCCCCC#N)[C@@H]1c1ccccc1 588623947 CRCXHPNJXKAEEV-YOEHRIQHSA-N 270.376 3.680 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccn2cc(C)nc2c1 668159503 YJDPMZHKPLGICY-GFCCVEGCSA-N 286.379 3.509 30 20 CHED C#C[C@H](C)N(C)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 491286661 IZOLSOXAQSMSJM-RYUDHWBXSA-N 297.320 3.679 30 20 CHED N#Cc1nn(CCOc2cccc(Cl)c2)c2ccccc12 583717109 DOASSCLQLIQKAB-UHFFFAOYSA-N 297.745 3.640 30 20 CHED CCC(CC)C(=O)OCCCCC1(C#N)CCC1 908917810 VYFGVSDMKIRQQS-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1ccc2ccccc2c1O 834995803 BPARVTIJHQACFB-JTQLQIEISA-N 296.292 3.810 30 20 CHED CN(Cc1c(F)cccc1Cl)C(=O)CCCCCC#N 588249372 MZXVIXAWUQIRQU-UHFFFAOYSA-N 296.773 3.912 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 733564061 PPPCJCQDIRIEIW-MRVPVSSYSA-N 293.121 3.542 30 20 CHED CC#CCN(C)C(=O)N[C@@H](C)c1csc2ccccc12 838322087 BYHKISCSYCNAHN-LBPRGKRZSA-N 286.400 3.627 30 20 CHED C=C[C@](C)(CC)C(=O)N(c1nc2ccccc2o1)C1CC1 905883749 YZLWOCDWAOOJFA-QGZVFWFLSA-N 284.359 3.926 30 20 CHED CC1(C#N)CCC(=NNc2ncccc2Cl)CC1 834942631 QDXUMZYURPPUKO-UHFFFAOYSA-N 262.744 3.607 30 20 CHED C=CCC[C@@H](NCc1ccc(CCO)cc1)c1ccco1 903403058 LUFHTUXAQNVAEJ-QGZVFWFLSA-N 285.387 3.612 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(CC(F)(F)F)cc1 837436287 WARNLCSLUSCQCJ-UHFFFAOYSA-N 283.293 3.779 30 20 CHED N#Cc1ccc(OCCCCC2(C#N)CCC2)cc1 901374348 YMICPIZAELRANK-UHFFFAOYSA-N 254.333 3.801 30 20 CHED C=CCN(C(=O)Nc1nn(-c2ccccc2)cc1C)C(C)C 730385732 HNEGUYNTVGGQHF-UHFFFAOYSA-N 298.390 3.609 30 20 CHED C=C(C)CCSc1nnc2ccc(Br)cn12 583037261 QSWQSLMCVAECIC-UHFFFAOYSA-N 298.209 3.550 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NN[C@H](C)C(F)(F)F 834997310 BLDJNXWOXHDHPF-OPRDCNLKSA-N 250.308 3.729 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)CCC(F)(F)F 678858566 JWVVBOITOLITII-LLVKDONJSA-N 280.334 3.715 30 20 CHED O=C(C#CC1CC1)N(Cc1ccccc1F)C1CCCCC1 837396421 JNSVCUNKZGPIKZ-UHFFFAOYSA-N 299.389 3.900 30 20 CHED C#CC[C@@H](OC(=O)c1cc2cccnc2s1)C(C)C 835200957 REMDAMRONFWBJX-GFCCVEGCSA-N 273.357 3.501 30 20 CHED CCOc1cccc(/C=C2/Cc3cc(O)ccc3C2=O)c1 588535104 MLMKPOUWUBJEMF-ZSOIEALJSA-N 280.323 3.613 30 20 CHED CC1(C)OCC[C@H]1NN=C1CCC[C@@H]1Cc1ccccc1 835017994 SYKBCFOHLWNKGL-NVXWUHKLSA-N 286.419 3.542 30 20 CHED C#CCC[C@@H](C)OC(=O)Cc1c[nH]c2ccc(Cl)cc12 839037669 CINRWVYIFRTMOC-LLVKDONJSA-N 289.762 3.709 30 20 CHED C=CCN(C(=O)CCc1ncc(-c2ccccc2)o1)C(C)C 914683830 ZRYOMGMTADOMAL-UHFFFAOYSA-N 298.386 3.697 30 20 CHED C=CCONC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 838707806 QXFVXKIBVYEEPH-GFCCVEGCSA-N 294.420 3.665 30 20 CHED C=CCN(C(=O)NCc1cc2ccccc2o1)C(C)C 918080240 RGNVBQZZVFIGMP-UHFFFAOYSA-N 272.348 3.539 30 20 CHED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1cccc(C#N)c1 597330821 XASKMZGPHHMJRX-AWEZNQCLSA-N 295.386 3.600 30 20 CHED C[C@@H]1CC(=NNc2ccccc2C(F)(F)F)c2nccn21 834915436 JGAHVIGEDDLNHB-SECBINFHSA-N 294.280 3.683 30 20 CHED O=C1/C(=C\c2ccc3ncccc3c2)Oc2ccccc21 742435937 FFLQOJLHGQRXGH-GZTJUZNOSA-N 273.291 3.851 30 20 CHED C[C@@H](C#N)N(CCc1cccc(Cl)c1Cl)C1CC1 595710865 VXBGNZMHXPZSRK-JTQLQIEISA-N 283.202 3.912 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(OC)cc1O 915051603 JGOMGEYKKZPSGP-UHFFFAOYSA-N 284.359 3.799 30 20 CHED COc1ccc(CN2CCC[C@H](CC#N)C2)c2ccccc12 597174446 QTEWGIYMORXLQO-OAHLLOKOSA-N 294.398 3.974 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CC[C@@H]1c1ccccc1 594993275 DCLYNHQXHHQICQ-HZPDHXFCSA-N 256.393 3.852 30 20 CHED C[C@@H]1CN([C@H](C#N)c2ccccc2)[C@@H]1c1ccccc1 595340596 CSBGVMMAEVIFOB-OLMNPRSZSA-N 262.356 3.944 30 20 CHED N#C[C@@H](C(=O)C1CCCCC1)c1nc(C2CC2)cs1 842939005 PQKXSYBETXYQBG-LBPRGKRZSA-N 274.389 3.777 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccccc1 593934669 POTVBEMUAZIBMD-GJZGRUSLSA-N 292.382 3.614 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCc1ccc2ccccc2c1 594087446 FTGPWAIXQZQTPQ-QGZVFWFLSA-N 280.371 3.533 30 20 CHED C[C@H](C#N)OCCSCCc1ccc(Cl)cc1 842182780 IEBWAYJNBBJSGJ-LLVKDONJSA-N 269.797 3.544 30 20 CHED CC(C)=CCCC(C)=Nn1c(S)nnc1C(C)(C)C 749156469 GGISGTWCCYSHKR-UHFFFAOYSA-N 280.441 3.835 30 20 CHED C[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C[C@H](C)C1 593998569 MBNYFZKEPGDQJA-OAGGEKHMSA-N 298.430 3.631 30 20 CHED Cc1cc(N2CCC[C@H](CC#N)C2)nc(-c2cccs2)n1 596325421 KTIJLQYRXGWAGV-CYBMUJFWSA-N 298.415 3.644 30 20 CHED Fc1ccc(CNN=Cc2ccc3ncccc3c2)cc1F 915975788 XCBQDGBSPVBDGY-UHFFFAOYSA-N 297.308 3.637 30 20 CHED CN(C[C@@H](O)CC(C)(C)C#N)C1CCC(C(C)(C)C)CC1 598587608 SQSNAJLACZXODE-GPANFISMSA-N 294.483 3.824 30 20 CHED N#C[C@H]1CC[C@H](Sc2ccc([N+](=O)[O-])cc2F)C1 590736755 CPXTZHDEUJPMQM-WPRPVWTQSA-N 266.297 3.518 30 20 CHED COCCOCc1cccc(-c2ccc(CC#N)c(C)c2)c1 592987375 ZNAKXNDZOHRJBG-UHFFFAOYSA-N 295.382 3.891 30 20 CHED Clc1cccc([C@H]2CCC(=NNc3cnccn3)C2)c1 841618637 GPHGUILUTUZHDY-LBPRGKRZSA-N 286.766 3.866 30 20 CHED CCc1cccc2cc(CNCC(C)(C)C#N)oc12 597084005 WCSXEVNIJCQMKJ-UHFFFAOYSA-N 256.349 3.635 30 20 CHED C=C(Cl)C[S@@](=O)Cc1c(C)cccc1Cl 841721590 IVACJCPPRKWYHX-OAHLLOKOSA-N 263.189 3.650 30 20 CHED Cc1ccc(CN/C(=N/CC2CC2)NC(C)(C)C)c(C)c1 912505868 IFSPSZAVXMFMDB-UHFFFAOYSA-N 287.451 3.547 30 20 CHED C#C[C@H](NC(=O)c1ccc(C)nc1C(C)C)c1ccccc1 843639830 JZLVCWAHQNSWJH-KRWDZBQOSA-N 292.382 3.618 30 20 CHED CC[C@@H](C)CCNC(=O)C[C@H](CC#N)c1ccccc1 597978802 RWTDEOQQJQAOJY-ZBFHGGJFSA-N 272.392 3.626 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@H](C)C1CC1 681592815 IYXLPTOGMQXZQL-LBPRGKRZSA-N 275.417 3.741 30 20 CHED C=CCC[C@@H](C)OC(=O)[C@H](C)Cc1ccc(C#N)cc1 847671887 JZWOPWQOAWOXCE-ZIAGYGMSSA-N 271.360 3.635 30 20 CHED Cc1ccc(OCCCN2CCC[C@@H](CC#N)C2)cc1C 595610970 FHBKNPTYGNOFEC-KRWDZBQOSA-N 286.419 3.698 30 20 CHED C=CCC[C@H](C)OC(=O)[C@H](C)Cc1ccc(C#N)cc1 847671885 JZWOPWQOAWOXCE-KGLIPLIRSA-N 271.360 3.635 30 20 CHED C=CCN(C)C(=O)Nc1c(C)cc(C)cc1Cl 681766285 PYIVBLJYBCBERB-UHFFFAOYSA-N 252.745 3.607 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CC[C@H]2CCC[C@@H]2C1 742378983 QGPCCGHRBKYIQC-JFIYKMOQSA-N 283.415 3.757 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1cnc2n1[C@H](C)CCC2 845528103 ZBZJCPLLSNDYKG-WBMJQRKESA-N 276.380 3.540 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)c2ccc(OC)cc2)c1O 745624968 QOFAZDXBGVXOKZ-QXGSTRBFSA-N 299.370 3.980 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccc(C=C)cc1 683242056 NSGHDGCYKKIZCQ-UHFFFAOYSA-N 293.366 3.824 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(Cc2cc(C)ccc2C)no1 685233695 BNUVBAOYYCLXCZ-NVXWUHKLSA-N 298.386 3.726 30 20 CHED CCCCCCCCCC(=O)NC[C@@H]1CCCCO1 920349669 URDUYSJGQZUXHO-HNNXBMFYSA-N 269.429 3.812 30 20 CHED C#CC[C@H](NC(=O)N1C[C@@H](C)CC1(C)C)c1ccccc1 757762335 OKNONYGJVJWLKF-HOCLYGCPSA-N 284.403 3.581 30 20 CHED C#CCCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 859148060 LXGCQTJOOFUDSI-BJWYYQGGSA-N 283.371 3.557 30 20 CHED C[C@@H]1C(=NNc2cc(F)cc(Cl)c2)CC[C@H]1CC(=O)O 853395773 KKZQHXFEQRLFDB-IUCAKERBSA-N 298.745 3.768 30 20 CHED CC[C@@H](CC(F)(F)F)N[C@H](C)CC(C)(C)C#N 926169987 ACBSUFKEQMGBOI-ZJUUUORDSA-N 250.308 3.635 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)CCc1cscn1 851141949 FBJLPXAXFZWUSH-TZMCWYRMSA-N 279.405 3.754 30 20 CHED C=CCCCCCN(C)C(=O)c1nc(Cl)ccc1F 759146570 HPDYONPJSBQVSC-UHFFFAOYSA-N 284.762 3.693 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl 756731078 DCDVWWPCHGYOJY-FIXISWKDSA-N 285.790 3.845 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCOc1ccc(F)cc1 924861808 RDCMZNVIOVHIPN-ZDUSSCGKSA-N 278.371 3.513 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 855441111 VDBVUCOQVKKVCL-LPQFERQCSA-N 255.361 3.515 30 20 CHED C=CCCN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 755981982 VRLPCYVRGCSMLT-MSOLQXFVSA-N 273.420 3.931 30 20 CHED CC(C)c1ccoc1C(=O)O[C@H](C)CC(C)(C)C#N 851204131 KGWCLRCCESBEMT-LLVKDONJSA-N 263.337 3.888 30 20 CHED C[C@H](C=NNc1ccccc1C(=O)O)c1ccc(F)cc1 756876411 NXURDRDVXPRCBR-LLVKDONJSA-N 286.306 3.725 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CCC(F)(F)C1)c1ccccc1 681666336 SNTIRCJGTJVKMP-KGLIPLIRSA-N 279.330 3.650 30 20 CHED C=C(CC)CN=[S@](=O)(c1ccccc1)C(F)(F)F 853728704 RSQBFZWRDOLYLB-SFHVURJKSA-N 277.311 4.000 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCc2ccccc2C1 682381319 VLEUXNDARDABRY-KBXCAEBGSA-N 271.404 3.510 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1[C@@H](C)c1ccccc1 928384978 NUFQEQFPCVFQND-DOTOQJQBSA-N 269.388 3.585 30 20 CHED CCCCCCCNC(=O)N[C@H]1CCCC12CCOCC2 858112644 HQRCYQFWLCBMFN-HNNXBMFYSA-N 296.455 3.605 30 20 CHED O=C(O)c1ccccc1NN=Cc1cccc(Cl)c1F 759647998 GNQJWJUANYEUSP-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CC[C@@H]1CCCC1=NNc1oc(C(C)C)nc1C#N 758375209 NRJZIBTWBDOFSQ-SNVBAGLBSA-N 260.341 3.648 30 20 CHED C=C[C@H](C)ONC(=O)c1cccc(SC(F)(F)F)c1 855028397 VCTLVZOPMDBMKF-QMMMGPOBSA-N 291.294 3.534 30 20 CHED COCCC(=NNc1cccc(C(F)(F)F)n1)C(C)C 756829399 OVERNVGBCZVQHD-UHFFFAOYSA-N 289.301 3.561 30 20 CHED CC(C)[C@@H]1C[C@H](CC(=O)O[C@H](C)CC(C)(C)C#N)CCO1 851205336 FEZUNOVLCGKFCU-KFWWJZLASA-N 295.423 3.699 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)COc1cccc(Cl)c1 851214694 VGPJZYMGUYHEBD-NSHDSACASA-N 295.766 3.590 30 20 CHED C=CCC1(NC(=O)/C=C/c2ccccc2C#N)CCCC1 855927812 ZZCKPWHMLFZOJR-MDZDMXLPSA-N 280.371 3.577 30 20 CHED CC(=NOCC(F)F)c1sccc1Br 758904570 PWNYPKLHFTXHQC-UHFFFAOYSA-N 284.125 3.516 30 20 CHED C=CCCOCCNC(=S)Nc1cccc(Cl)c1C 756851190 JHVCWUUTJCMXGO-UHFFFAOYSA-N 298.839 3.528 30 20 CHED CCC(CC)NN=C/C=C/c1ccc(F)cc1F 758124225 SKWBUJAVVCVTOU-WCLBPFOISA-N 252.308 3.742 30 20 CHED Cc1ccccc1C1CC(=NNCc2ccc(C#N)cc2)C1 769816596 WEMYXTCBWBFBCH-UHFFFAOYSA-N 289.382 3.890 30 20 CHED CC#CCCCC(=O)Nc1ccc(-n2nc(C)cc2C)cc1 767293678 OAJNMDYHOXSWDB-UHFFFAOYSA-N 295.386 3.621 30 20 CHED COCc1ccccc1C(=O)O[C@H](C)c1cccc(C#N)c1 764612749 IZBDDITYNAOKAB-CYBMUJFWSA-N 295.338 3.623 30 20 CHED Oc1c(Cl)cc(Cl)cc1C=NOCC(F)(F)F 764836474 UIBUETJCDJXUHM-UHFFFAOYSA-N 288.052 3.612 30 20 CHED N#CCOc1ccc(COc2c(F)cccc2Cl)cc1 768427739 ZNIXGAALYZEDRM-UHFFFAOYSA-N 291.709 3.960 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(C2CCC2)cc1 767225368 ANADOUJBPGZARB-UHFFFAOYSA-N 256.345 3.909 30 20 CHED N#CC1(OC(=O)CC(C2CCC2)C2CCC2)CCC1 860594096 QKIOIKISTBJBFZ-UHFFFAOYSA-N 261.365 3.582 30 20 CHED N#CCC1(COC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)CC1 766382543 PJIDJQICMCZXJS-QJRTVWDNSA-N 291.366 3.532 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1nc(O)c2ccccc2n1 766026374 UXBBRFWQKZNQNN-JTQLQIEISA-N 284.363 3.559 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)OC[C@H](C)C#N 860616045 ZKFWEJWLKADYQA-LLVKDONJSA-N 269.300 3.572 30 20 CHED Cc1ccc(C=NNCc2ccc(Cl)cc2Cl)nc1 761805432 CYSQELZFYNLLGC-UHFFFAOYSA-N 294.185 3.821 30 20 CHED C=CCC[C@@H](NC[C@H](C)CC1(C)OCCO1)c1ccco1 866425566 MNSDYEVCLLDPTR-HUUCEWRRSA-N 293.407 3.666 30 20 CHED C=C(C)CN(C)CCc1ccc(OC(F)(F)F)cc1 1118798099 WTLMPQGCODWUPG-UHFFFAOYSA-N 273.298 3.636 30 20 CHED CC1(C)C[C@H](NCCCC#N)c2ccccc2S1 872060778 TVXGZBSLRIBFKY-ZDUSSCGKSA-N 260.406 3.895 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1cccc(F)c1F 773126548 UJPSHTSUPLPXLA-ZDUSSCGKSA-N 266.335 3.857 30 20 CHED C#CCCCCCC(=O)Nc1nc2c(s1)CCCCC2 779769608 ZQESFGNLRCGGTD-UHFFFAOYSA-N 290.432 3.934 30 20 CHED FC(F)(F)CCON=C1CCOc2ccc(Cl)cc21 777456251 VTFDWIKYDPNRKE-UHFFFAOYSA-N 293.672 3.796 30 20 CHED COc1ccc(CCNN=Cc2cscc2Cl)cc1 771878529 IICRNVMERFXUSA-UHFFFAOYSA-N 294.807 3.576 30 20 CHED C=CC[C@H](C(=O)NCCC1CCC1)c1ccccc1 777736421 QLQPJNSPFYJDRT-INIZCTEOSA-N 257.377 3.653 30 20 CHED C=C(C)CN(C)C(=O)/C=C/c1ccccc1O[C@H](C)CC 778123676 XIDATIKGZXGZDB-AYJWMTRPSA-N 287.403 3.912 30 20 CHED Cc1ccc(F)cc1C=NNc1cccc(C(F)(F)F)n1 777889806 XNKFFTOYMMQHOF-UHFFFAOYSA-N 297.255 3.994 30 20 CHED N#C[C@H](OC(=O)/C=C/c1ccccc1)C1CCCCC1 776360622 CIVWHYPIMCMYGW-PCUGXKRQSA-N 269.344 3.715 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC[C@H]1CC1(Cl)Cl 779742689 LUIUYWDXOZDMEE-VHSXEESVSA-N 285.174 3.583 30 20 CHED N#C[C@H](OC(=O)Cc1cc2ccccc2o1)C1CCCCC1 776379719 XOIHTBLGZHBXSR-KRWDZBQOSA-N 297.354 3.991 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2ccc(OC)cc2)CC1 887955977 UVIFCTICAVTWLA-CYBMUJFWSA-N 273.376 3.619 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(Cl)ccc1SCC 770424062 IFRAYKXWABPRNQ-JTQLQIEISA-N 296.823 3.937 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1cc(Cl)ccn1 777907732 ZRCHNIIETPPZGS-SNVBAGLBSA-N 271.751 3.743 30 20 CHED C=CCc1cc(CNC(CC)CC)cc(OC)c1OC 772948756 YROADZLMWUGJFJ-UHFFFAOYSA-N 277.408 3.711 30 20 CHED CC(CC1CCC1)=NNc1nnc(-c2ccccn2)s1 788029302 UDWPKYXMLHAOEZ-UHFFFAOYSA-N 287.392 3.578 30 20 CHED Cc1ccccc1[C@H](C)C(=O)OCC(C)(C)CC#N 1122838024 XLOMWZLHVNQJGR-ZDUSSCGKSA-N 259.349 3.582 30 20 CHED C=CCCN(C)C(=O)c1cc2c(F)cccc2s1 786222925 DSHGVEXUAWCTNF-UHFFFAOYSA-N 263.337 3.689 30 20 CHED CC1(C)CC[C@H](C(=O)O[C@@H](C#N)C2CCCCC2)C1 781698910 SVPCJBRAVMFWGP-KBPBESRZSA-N 263.381 3.828 30 20 CHED C#CCC1(C(=O)N(C)c2ccc(C)cc2)CCCCC1 788203071 WSSDYLVDRAJRBN-UHFFFAOYSA-N 269.388 3.932 30 20 CHED CCC1(C=NNc2ccc(Cl)cc2)CCOCC1 781115007 FSBYSLJXWYRUSL-UHFFFAOYSA-N 266.772 3.945 30 20 CHED Cc1nc2c(s1)C(=NN[C@@H]1CCCC1(C)C)CCC2 782287021 IWRYZZGYDPAGNH-CYBMUJFWSA-N 277.437 3.660 30 20 CHED CCN(CC)c1ccc(/C=C/C(=O)c2cncs2)cc1 787169022 KPXXBQMMSQJXTA-JXMROGBWSA-N 286.400 3.885 30 20 CHED CC#CCCCC(=O)O[C@H]1CCOc2c(C)cccc21 789495542 DBRPVWVQAXXQCA-HNNXBMFYSA-N 272.344 3.555 30 20 CHED Cc1c(Cl)ccc2c(CC(=O)OC(C)(C)C#N)coc12 892852646 BJVMHCOBBDHODZ-UHFFFAOYSA-N 291.734 3.783 30 20 CHED Clc1cccc(C=NNCCc2ccncc2)c1Cl 789097883 MQZFNHHSDUUKQO-UHFFFAOYSA-N 294.185 3.555 30 20 CHED CC(C[C@H](C)CC(C)C)=NN[C@H]1CCOC(C)(C)C1 780251758 DFCDPQGQMNDXTP-HIFRSBDPSA-N 268.445 3.982 30 20 CHED Oc1ccccc1/C=N/CC(F)(F)c1ccccc1 788674944 QQEZJLJOIGRZCT-VCHYOVAHSA-N 261.271 3.603 30 20 CHED C=CCCCCCOC(=O)C(F)(F)c1nccs1 784960947 UCJULTQIYXJYPS-UHFFFAOYSA-N 275.320 3.525 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)CCc2ccccc21 899335725 IRQPBTZZAGXUTR-GDNBJRDFSA-N 278.355 3.821 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(OC(F)F)cc1 785758884 DSRNYANRFBEAJB-OAHLLOKOSA-N 284.302 3.934 30 20 CHED N#C[C@@H]1CCCN(c2cc(-c3cccc(Cl)c3)ncn2)C1 895649851 QVPJYJIERXHECO-LBPRGKRZSA-N 298.777 3.537 30 20 CHED CCc1ccc(C(C)=NNc2ccc3c(=O)[nH]ccc3c2)o1 789075789 ALXRNYPQCHCDJR-UHFFFAOYSA-N 295.342 3.520 30 20 CHED C#CCOc1ccccc1OCc1cnc2ccccc2c1 799175697 LLQFYVIEWQFGQY-UHFFFAOYSA-N 289.334 3.826 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc2c(c1)CCC2 798375657 KYTJQSHCNFOGRR-CQSZACIVSA-N 274.433 3.816 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(Cl)nc2)ccc1C#N 799497486 SCUBQDLEMKPSLB-ZZXKWVIFSA-N 298.729 3.511 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 796794802 FWQSZOGJIXGLCJ-NSHDSACASA-N 277.320 3.801 30 20 CHED C=CCOC(=O)/C=C/c1ccc2cc(OC)ccc2c1 791460665 PGRXLJUUOBYCCK-WEVVVXLNSA-N 268.312 3.591 30 20 CHED COc1cccc(C=NNc2c(F)cccc2F)c1F 799882051 AUAULLUXBCEZAM-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CC(C)n1nccc1/C=C1/Cc2ccc(Cl)cc2C1=O 794946812 QWUUOJHZRRKQFF-WQLSENKSSA-N 286.762 3.940 30 20 CHED CCC[C@@H](CCc1ccccc1)Nc1nc(C)cc(C#N)n1 1306977249 COFAFDUIBFZGMR-INIZCTEOSA-N 294.402 3.870 30 20 CHED N#Cc1ccc(SCCn2cc(Cl)cn2)c(Cl)c1 1307317285 GIVSCSNKFJQKMI-UHFFFAOYSA-N 298.198 3.854 30 20 CHED Cc1cc(N(C)Cc2c(F)cccc2Cl)c(C#N)cn1 1306913673 RZESFTNIVMCPJV-UHFFFAOYSA-N 289.741 3.691 30 20 CHED COc1ccncc1CSc1ccc(Cl)cc1C#N 1307310636 RWJFNFUFRZDJJX-UHFFFAOYSA-N 290.775 3.908 30 20 CHED Cc1nc(N[C@@H]2CCCc3c(F)cccc32)ccc1C#N 1163413552 UVFIYGHMBQFOPU-MRXNPFEDSA-N 281.334 3.890 30 20 CHED C=CCN(Cc1csc(-c2ccco2)n1)C1CC1 271339009 BTDWPKBVKQHYGP-UHFFFAOYSA-N 260.362 3.554 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 390780516 RREHZBZALPEEPD-YQVWRLOYSA-N 286.463 3.841 30 20 CHED CC(C)c1ocnc1COc1ccc(C#N)c(Cl)c1 1321645865 RQMBMWKLQCEMHO-UHFFFAOYSA-N 276.723 3.902 30 20 CHED C=CCOCCN(C)Cc1cc(Cl)cc(Cl)c1 516096144 FPGRNNWZWZXNEQ-UHFFFAOYSA-N 274.191 3.628 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2C)s1 1321224120 URXBIOVQFPUHPK-LBPRGKRZSA-N 284.384 3.728 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)cs1)c1ccc(F)cc1 1320035411 HJOXCCRRAXYJMZ-ZDUSSCGKSA-N 288.347 3.640 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)c(F)c1 1321315159 RIDRVQXLIPEJQL-SECBINFHSA-N 282.746 3.596 30 20 CHED CC(C)(C#N)CCCSCc1ccc(F)cn1 1320949304 RAVVCFCNXNGSEG-UHFFFAOYSA-N 252.358 3.784 30 20 CHED C=C(Br)CN[C@H]1CCCC[C@@H]1SCC 189491199 VBSSNVSYPJZMRO-QWRGUYRKSA-N 278.259 3.549 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 79343180 ZWWLSLFODZZWLF-CQSZACIVSA-N 278.440 3.991 30 20 CHED N#Cc1ccc(OCC(=O)C2CCCCC2)cc1Cl 190264523 DIOCIRUYJHCOGV-UHFFFAOYSA-N 277.751 3.740 30 20 CHED Cc1cc(COc2cnc(F)cc2Cl)ccc1C#N 1322414594 GWBLEHFMYHSAOF-UHFFFAOYSA-N 276.698 3.633 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2ccc(C(C)(C)C)nn2)C1 1327101285 IBYWWBOIPBREAI-VXGBXAGGSA-N 260.385 3.608 30 20 CHED Clc1ccc(NN=Cc2ccc3c(c2)CCC3)cn1 1329992699 YLVXOYAAFCQBAY-UHFFFAOYSA-N 271.751 3.670 30 20 CHED C#CCN(CC)Cc1nc2ccccc2c(C)c1Cl 746457568 ITVCLGLFBOGOPL-UHFFFAOYSA-N 272.779 3.652 30 20 CHED C=CCCC[C@H](C)NC(=O)C(F)(F)c1ccccc1C 1254195798 BWQUJSJRQJIOKH-ZDUSSCGKSA-N 281.346 3.948 30 20 CHED CN(CCC(C)(C)C#N)Cc1cc2ccccc2[nH]1 1254211422 VDYGSKZQZJXWAP-UHFFFAOYSA-N 255.365 3.540 30 20 CHED C[C@H]1C[C@@H](Nc2cccc(OCC#N)c2)CC[C@H]1C 84985095 PRPHPVLBVNRMRJ-IPYPFGDCSA-N 258.365 3.826 30 20 CHED C=CCn1cnnc1S[C@H](C)c1ccc(F)c(F)c1 1337671917 FBMHAHYBHHKXFC-SECBINFHSA-N 281.331 3.596 30 20 CHED C=CCC1(NC(=O)[C@H](C)CC2CCCCC2)CCOCC1 1334554611 WSQJEGKKYJHABB-OAHLLOKOSA-N 293.451 3.834 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1339183307 AIUZOGHCMXURTH-SOUVJXGZSA-N 290.794 3.594 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2cc3ccccc3o2)no1 1262481491 UWSHNTFJIUGMSO-GFCCVEGCSA-N 283.331 3.839 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)s1 1347138081 PMFFDEXLHSBAKC-OAHLLOKOSA-N 272.348 3.706 30 20 CHED C=C(CC)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 1348751148 WQMVQGQZDSWFRK-WCQYABFASA-N 283.293 3.644 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)ccc1C 1264951780 XHRMIVRVIPRNNS-NVXWUHKLSA-N 284.403 3.955 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cccc(-c2ccncc2)c1 1342731816 HLDWJNDVECEXLR-KDOFPFPSSA-N 282.387 3.600 30 20 CHED C#CC[C@@H](C)OC(=O)c1c(-c2ccccc2C)noc1C 1343350440 LRWQEGCOMBRAGX-GFCCVEGCSA-N 283.327 3.527 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1csc(C#N)c1 1347812451 BIWCHDYVESXIEF-RISCZKNCSA-N 276.405 3.661 30 20 CHED C=C[C@H](C(=O)N1CC[C@@H](c2ccco2)C1)c1ccccc1 1351188770 VGXLVTCHAAWJSF-CVEARBPZSA-N 281.355 3.565 30 20 CHED CC(C)CC(CC(C)C)NC(=O)c1ccc(F)c(C#N)c1 1359902498 BUQKSLYCQHVUMS-UHFFFAOYSA-N 290.382 3.888 30 20 CHED CN(C(=O)c1cccc(C2CC2)c1)c1ccc(C#N)cc1 1456727368 KAVNOMIITSWSTI-UHFFFAOYSA-N 276.339 3.712 30 20 CHED Cc1cc(C)c2nc(NCc3ccc(C#N)cn3)sc2c1 1458415422 PCVUWHCYMONGOJ-UHFFFAOYSA-N 294.383 3.792 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2C(F)F)c(F)c1 1526169125 UHJXWPRKKWPOGU-UHFFFAOYSA-N 290.244 3.887 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1ccoc1 1527028219 WXSARBGJATXYTJ-STQMWFEESA-N 283.327 3.634 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)[C@H]1CCCC[C@@H]1C 1528044230 LHGQSPSGPWFOAG-YOEHRIQHSA-N 284.403 3.908 30 20 CHED COc1ccc(Nc2cc(C)c(C#N)cn2)cc1SC 1458434271 ZWHVLHPMKWPTKM-UHFFFAOYSA-N 285.372 3.736 30 20 CHED CC(C)(C(=O)O)c1ccc(Nc2cc(F)ccc2C#N)cc1 1603271772 RXWANYZWIHAGFY-UHFFFAOYSA-N 298.317 3.803 30 20 CHED C=CC[C@@H]1CC[C@@H](NC[C@@H](CC2CCCC2)C(=O)O)C1 1602851134 AROXEELSMCIYEL-FVQBIDKESA-N 279.424 3.602 30 20 CHED CC[C@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)O 1605105554 BRZGRVJNJBKLQL-SJORKVTESA-N 294.354 3.617 30 20 CHED N#Cc1c(F)cccc1CNCc1cccc2ncccc12 1462571938 DNVLAOWTBQGWQN-UHFFFAOYSA-N 291.329 3.535 30 20 CHED Cc1ccnc(N[C@@H]2CCC[C@@H](C(C)C)C2)c1C#N 1472689182 VZSYDEHUFXBTRC-ZIAGYGMSSA-N 257.381 3.888 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H]1CC[C@H](C(C)C)CC1 1617776972 VUAKBQYPARHUHW-KKUMJFAQSA-N 264.413 3.599 30 20 CHED CC[C@](C)(CN1CCC[C@H]1[C@@H](C#N)c1ccccc1)OC 1474326825 MPOYAJKCXYITPN-OKZBNKHCSA-N 286.419 3.573 30 20 CHED N#Cc1ccc(CN2Cc3ccccc3CO2)c(Cl)c1 1473734777 WCLJQCGISDDLKE-UHFFFAOYSA-N 284.746 3.659 30 20 CHED CC[C@H](Nc1snc(Cl)c1C#N)[C@H]1CC1(C)C 1472809214 MAWLHHASWJDJJN-BDAKNGLRSA-N 269.801 3.905 30 20 CHED Cc1cc(C)c([C@@H](C)N2CCC[C@H](C#N)C2)c(C)c1 1560130248 NWHWDCXZBBCIJB-HZPDHXFCSA-N 256.393 3.908 30 20 CHED CCCCCCCC(=O)N1CCC2(CCCC2=O)CC1 856020258 ZTSLYYYYAUHHRZ-UHFFFAOYSA-N 279.424 3.709 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1CCC1 1642471165 QHZZRRGFJATXJE-OAHLLOKOSA-N 290.794 3.910 30 20 CHED C=C(Cl)CNCc1c[nH]nc1-c1ccc(Cl)cc1 1657275704 PJTREMGJWAGWAQ-UHFFFAOYSA-N 282.174 3.572 30 20 CHED C=C(C)CCN[C@H](C(=O)O)c1ccc(Cl)cc1Cl 1588559349 MUFBIQMNZYTURE-LBPRGKRZSA-N 288.174 3.675 30 20 CHED Cc1c(C#N)cccc1NCc1ncc(-c2ccccc2)[nH]1 1656345524 PQABUSZDQTYXHS-UHFFFAOYSA-N 288.354 3.869 30 20 CHED C[C@]1(c2ccccc2)CC[C@H](N2CCC[C@H](C#N)C2)C1 1658883819 NMOYYECXMAPYEK-NJAFHUGGSA-N 268.404 3.732 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2[C@H](C)CCC[C@H]2C)c1 1662642446 JBHRMNNGZBGNTO-CHWSQXEVSA-N 285.391 3.813 30 20 CHED CC[C@@H]1CN(C[C@H](C)CCC#N)c2ccccc2O1 1664398847 WZYAXBPAGCJZHT-ZIAGYGMSSA-N 258.365 3.604 30 20 CHED C[C@H]1CC(=NNc2ccc(F)c(C(=O)O)c2)CC[C@H]1C 1776062693 GBDFCNAKGJEXNP-ZJUUUORDSA-N 278.327 3.748 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cncc(C(=O)O)c2)c1 1776835512 ILWXHPTYZYTOLA-BQYQJAHWSA-N 295.338 3.628 30 20 CHED N#CCOc1ccc(NCc2coc3ccccc23)cc1 161066251 VEPKBKRNNQEKAO-UHFFFAOYSA-N 278.311 3.947 30 20 CHED N#Cc1c(N[C@@H]2CCCc3sccc32)nc2ccccn12 161060095 JIJNXENGALTKIR-GFCCVEGCSA-N 294.383 3.757 30 20 CHED C[C@@H](Sc1cccc(C#N)c1)C(=O)N(C)c1ccccc1 158743923 QMFPSLVBOYWCMW-CYBMUJFWSA-N 296.395 3.702 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccc(F)cc2)c1C 160687918 YUZPXJJMRRYLDK-MDZDMXLPSA-N 286.350 3.945 30 20 CHED C[C@H](NC(=O)C(C)(C)C1CCCC1)c1ccc(C#N)cc1 157443331 MQAODUDRELJBSA-ZDUSSCGKSA-N 284.403 3.952 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(C#N)c(Cl)c2)C1 154309306 GOMNCFHJKARRNO-BXUZGUMPSA-N 290.794 3.862 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1cc(F)ccc1F 208305593 PWVYBHBATQATED-DAXSKMNVSA-N 260.239 3.567 30 20 CHED C#Cc1cccc(CN[C@H]2CCc3ccc(C)cc32)c1 834902967 MLDZFNMBZAQBJC-IBGZPJMESA-N 261.368 3.753 30 20 CHED C[C@H](Cc1ccccc1F)Nc1ccc(CC#N)cc1 157065257 DUTAWOYUBRRIDP-CYBMUJFWSA-N 268.335 3.935 30 20 CHED C[C@@H]1CC[C@H](CNc2ccc(C(F)(F)F)cc2C#N)O1 158338589 VZHKNHXGRUJVPJ-BXKDBHETSA-N 284.281 3.556 30 20 CHED C[C@H](N[C@H]1CCCc2occc21)c1cccc(C#N)c1 37242127 HDULKJOKGXCFNZ-LRDDRELGSA-N 266.344 3.879 30 20 CHED Cc1ccccc1[C@@H](O)CNc1cc(Cl)ccc1C#N 301295937 XLJGBQMDTWLZML-INIZCTEOSA-N 286.762 3.666 30 20 CHED CC[C@H](CC(C)C)C(=O)N(C)c1ccccc1C#N 308091127 QUXVMCNCXRKTBR-CYBMUJFWSA-N 258.365 3.593 30 20 CHED CC(C)(C#N)CNC(=O)c1sc2ccccc2c1Cl 701176933 PNGZIRMWEXHUKE-UHFFFAOYSA-N 292.791 3.834 30 20 CHED N#Cc1ccc(CN2CCC[C@H]3CCCC[C@@H]32)cc1F 403977996 DYYAXQVOLYCHIO-PBHICJAKSA-N 272.367 3.852 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)c(F)c1 404247958 HDAAVINIILLFNN-LRDDRELGSA-N 260.356 3.708 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCc1ccc(C)c(Cl)c1 604352975 LPFURJPQHUFPMX-GFCCVEGCSA-N 292.810 3.589 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 617788973 WBUXCSPUGZJWEZ-CYBMUJFWSA-N 268.360 3.596 30 20 CHED C=CCSCCNCc1cscc1Br 336688068 NGIXXYFPSDUNAB-UHFFFAOYSA-N 292.267 3.519 30 20 CHED C[C@H](N[C@H]1CCC12CCCC2)c1ccc(C#N)cc1 474061071 SRUBWYLMFACKAR-BBRMVZONSA-N 254.377 3.932 30 20 CHED C=C(C)CCN[C@@H](C)c1cccc(OC(F)F)c1 386765570 JJGDGPJYZUCEOG-NSHDSACASA-N 255.308 3.905 30 20 CHED Cc1cc(C)c(C)c(Oc2ccc(C#N)c(C)n2)c1 389051644 PWQTUDLXHCHSMB-UHFFFAOYSA-N 252.317 3.979 30 20 CHED Oc1cccc(C=NOCc2ccccc2)c1Cl 814791522 FPRNLDHLINPPEO-UHFFFAOYSA-N 261.708 3.596 30 20 CHED N#CCc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)cc1 399009583 WLKVAWSWOZNAMS-IRXDYDNUSA-N 254.377 3.517 30 20 CHED C[C@@H]1[C@@H](NCc2ccc(CC#N)cc2)CCC[C@H]1C 399024335 GRLKXUSRSAFFBK-KEYYUXOJSA-N 256.393 3.667 30 20 CHED CSc1ccccc1[C@H](C)Nc1cc(C#N)ccn1 343044409 WXASGQZAVMRHCL-NSHDSACASA-N 269.373 3.848 30 20 CHED Cc1sccc1CN(C)Cc1cc(C#N)ccc1F 350122225 LXFOIWDHZLLIIC-UHFFFAOYSA-N 274.364 3.699 30 20 CHED C[C@@H]1CCc2sc(C(=O)Nc3ccc(C#N)cc3)cc2C1 15594683 VWEBPJBBRIBIJN-LLVKDONJSA-N 296.395 3.997 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CCc2ccco2)cc1 25439557 RMBJFKPZBGFZDS-UHFFFAOYSA-N 282.343 3.652 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C#N)c1 32416391 LHDQDPBOIWRTEZ-HZPDHXFCSA-N 284.403 3.893 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)C1CCCCC1 37228553 LVWCCVFKGFHJBU-CYBMUJFWSA-N 258.365 3.970 30 20 CHED C=CCOc1ccccc1C(=O)[C@@H](C#N)c1nc(C)cs1 41515992 MTMACNMCLUTTDR-CYBMUJFWSA-N 298.367 3.506 30 20 CHED CCCCC1CCC(C(=O)N(C)C[C@@H](C)C#N)CC1 42460259 IAAMRYOVZNNCQR-NFOMZHRRSA-N 264.413 3.601 30 20 CHED CCCCC/C(O)=N/S(=O)(=O)c1ccc(CCC)cc1 45098545 OMODHARWYHLYGA-UHFFFAOYSA-N 297.420 3.865 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1)c1nc(C2CC2)no1 48603338 DQOVTVINTUOUPX-SECBINFHSA-N 271.345 3.672 30 20 CHED COc1cccc(CNc2cccc(Cl)c2C#N)c1 48935851 XFUMGDWYOQDMJJ-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=C(Br)CNCc1cccc2ccccc12 52061643 OFNQDOUWAOSAST-UHFFFAOYSA-N 276.177 3.838 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccccc1C#N 65959671 IFGMRBWVWPNSCF-UHFFFAOYSA-N 276.383 3.789 30 20 CHED Cc1ncsc1CNc1cc(Cl)ccc1C#N 71213176 YQOQXEYWCHMXIF-UHFFFAOYSA-N 263.753 3.589 30 20 CHED N#CCc1ccc(NC(=O)NCCC2CCCCC2)cc1 76083615 CKZYUYKABNWTIZ-UHFFFAOYSA-N 285.391 3.845 30 20 CHED CC1CCC(N(C)C(=O)CCc2ccc(C#N)cc2)CC1 78231401 ONBWQIQHPSHLDG-UHFFFAOYSA-N 284.403 3.528 30 20 CHED CCC[C@@H](Nc1ccc(C#N)nc1)c1ccccc1 80945263 RYOSERSBLCLOMJ-MRXNPFEDSA-N 251.333 3.907 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)cs2)cc1Cl 84057892 ANAFAFWIHWEXRM-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2ccccc2S1 88224438 LIEVHPLMZKUUFI-LBPRGKRZSA-N 294.379 3.699 30 20 CHED N#Cc1ccc(Nc2nc(-c3cccnc3)cs2)cc1 92196933 LHVSFWDCRRAGNY-UHFFFAOYSA-N 278.340 3.820 30 20 CHED Cc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cnn1C(C)C 92715688 ULGULTPHPBMQRZ-ZDUSSCGKSA-N 297.358 3.562 30 20 CHED C[C@H](c1cccnc1)N(C)CC#Cc1ccc(Cl)cc1 93227424 OFAHZIQSDACUIP-CQSZACIVSA-N 284.790 3.780 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1nc(C)cs1 105503676 RKAOJLGJBMSKSO-AWEZNQCLSA-N 271.389 3.564 30 20 CHED N#Cc1cccc(NCc2c(Cl)cccc2[N+](=O)[O-])c1 107904390 WPXLZAVFVQZWLP-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1sccc1OC 112184230 NYILTOOVLTUYOM-UHFFFAOYSA-N 293.432 3.965 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)CC1CCOCC1 117134020 FYCJQSATWDVLEY-OAHLLOKOSA-N 283.456 3.916 30 20 CHED Cc1ccoc1C(=O)/C=C/c1c(Cl)nc(Cl)n1C 119034888 RNPIDCJVSIDODU-ONEGZZNKSA-N 285.130 3.524 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1cc(F)cc(F)c1 120108224 STLAJGMRZQFTLZ-GHMZBOCLSA-N 284.302 3.550 30 20 CHED C=CCC[C@H](NCc1cccc(OC)c1OC)C1CC1 120325431 BWGNVBPTTYHAQH-HNNXBMFYSA-N 275.392 3.538 30 20 CHED COc1ccccc1NCc1ccc(N(C)CCC#N)cc1 121274534 DDIKZAUPSRUIJF-UHFFFAOYSA-N 295.386 3.657 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(C)cc1 122617772 NYZHKQZUFBFUKK-CQSZACIVSA-N 257.377 3.941 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CC12CCOCC2)c1ccccc1 123046823 ZPGQUQLCLZQVTD-SJORKVTESA-N 299.414 3.627 30 20 CHED C=CCCC(=O)NCC1(c2ccc(F)cc2Cl)CC1 124914184 UJKYMPUGBFTURJ-UHFFFAOYSA-N 281.758 3.593 30 20 CHED Cc1cc(Oc2ccc([N+](=O)[O-])cc2C#N)ccc1F 127131393 SEFTZZWJRCDCRQ-UHFFFAOYSA-N 272.235 3.706 30 20 CHED CCCCCCCCCC(=O)NCC1(C)CCNCC1 129107307 OIPJNCBMELYLQT-UHFFFAOYSA-N 282.472 3.633 30 20 CHED CC(C)Oc1ccc(C(=O)/C=C/c2cncs2)cc1 129962138 BBFVUJYPGHIZRN-BQYQJAHWSA-N 273.357 3.826 30 20 CHED Cc1cc(C)cc(Oc2ccc(NC(=O)CC#N)cc2)c1 132455226 XBIXARJVJALLOI-UHFFFAOYSA-N 280.327 3.948 30 20 CHED C=CC[C@H](C)NCc1cc(Cl)ccc1OC(F)F 134747839 XEBBQSOTWXUWBS-VIFPVBQESA-N 275.726 3.996 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1 134748937 PNLQUPJJUIDMAY-SWLSCSKDSA-N 298.386 3.829 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(Cl)c(C)c2)c1 135022937 QVFFRTFUEQUMLT-UHFFFAOYSA-N 269.731 3.882 30 20 CHED N#Cc1cc(F)ccc1NC(=O)Cc1ccccc1Cl 135155146 LKYFDVFVKZQNHQ-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CC1(C)CCC[C@H](NCc2cccc(OCC#N)c2)C1 136128293 DYAHOBIIMFOLIY-HNNXBMFYSA-N 272.392 3.647 30 20 CHED C=C(Cl)C[S@](=O)[C@@H](C)c1cccc(Cl)c1 150899988 AJSNCZWQHBAYOK-BJOHPYRUSA-N 263.189 3.902 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccc(F)cc2C#N)n1 150931806 PAVCKWATOSFKIC-QGZVFWFLSA-N 281.334 3.742 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(N2CCCC2)cc1 151692564 FVPVKYRUYXCQMI-UHFFFAOYSA-N 285.387 3.961 30 20 CHED CC(C)(C#N)CCCNc1ccc(-n2cccn2)cc1 153252025 ZMIFUEXGYOECKG-UHFFFAOYSA-N 268.364 3.614 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1Cl 153916688 UFNMUNYBCMGHEW-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1cc2c(nc1NC[C@@H]1CCCCS1)CCCC2 156420120 MAJCQOLOPBHUTK-AWEZNQCLSA-N 287.432 3.530 30 20 CHED N#Cc1ccc(CNc2cccc(CN3CCCCC3)c2)o1 156484939 RSEKOLYLTLSLBH-UHFFFAOYSA-N 295.386 3.749 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(F)cc1F 156881388 UZMUBADWHVOQJK-UHFFFAOYSA-N 267.319 3.783 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCN2CCC[C@@H]2C1 157549567 AOOIEBCGQGVXEZ-GVDBMIGSSA-N 266.473 3.952 30 20 CHED CN(CCc1nccs1)Cc1ccccc1C(C)(C)C#N 157745515 SJZABSJTIMEJQK-UHFFFAOYSA-N 299.443 3.619 30 20 CHED CCc1nc(CSc2cccc(C#N)c2)cs1 158680379 UHFDVDHWXVKYBB-UHFFFAOYSA-N 260.387 3.869 30 20 CHED CCCCCCCCN[C@H](C)c1cnn(CC)c1 160817241 YWEKSSKRUSPVER-CQSZACIVSA-N 251.418 3.914 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2ccc(CC#N)cc2)C1 164482676 DTFOUVBJBFEAMA-OCCSQVGLSA-N 256.349 3.517 30 20 CHED COCc1cccc(OCc2ccc(C#N)cc2C)c1 165562646 ZVVXTTBBYZRVGN-UHFFFAOYSA-N 267.328 3.592 30 20 CHED CC(C)CC[C@@H](NC(=O)NCCCCC#N)C(C)(C)C 172071125 JLWSZOULRKWTDH-CQSZACIVSA-N 281.444 3.830 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@H](C)[C@H]1C 172640184 AQGWQIKDXCLLQZ-UONOGXRCSA-N 273.376 3.512 30 20 CHED Cc1cccc(O[C@H](C)CNCC(C)(C)CCC#N)c1 174571666 IOSQSDUOHRUQKL-OAHLLOKOSA-N 274.408 3.682 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 175074801 HOINNJVAWPMZHY-IEBWSBKVSA-N 283.415 3.705 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1ccc(F)c(C#N)c1 175339743 GAZSFABYWWYFJS-NSHDSACASA-N 277.343 3.597 30 20 CHED C=CCCCC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 175367638 RPDFWDPUAWOAFN-UHFFFAOYSA-N 297.402 3.625 30 20 CHED CC[C@H](C#N)NC(=O)CCCc1csc2ccccc12 176151137 FMEXFEOFTZCDGG-CYBMUJFWSA-N 286.400 3.642 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C)[C@@H]1C 179829731 MUOOVIJWPHHGBV-AAEUAGOBSA-N 271.364 3.519 30 20 CHED C=CCC[C@H](Nc1ccc(C)c(C(=O)N(C)C)c1)C1CC1 179997145 KYIVMKZGXLPPNX-KRWDZBQOSA-N 286.419 3.854 30 20 CHED C[C@@H](Cc1ccc(O)cc1)N[C@H](C)c1cccc(C#N)c1 181696392 MWKZQVIEWVJLHM-UONOGXRCSA-N 280.371 3.546 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1sccc1O 184517917 JRLOZDQIVGAOJP-DUXPYHPUSA-N 266.268 3.628 30 20 CHED C=C[C@H](CC(=O)NC1Cc2ccccc2C1)c1ccccc1 185748497 MAQYPZNRIDHCIS-OAHLLOKOSA-N 291.394 3.630 30 20 CHED CCOc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1 187229119 MHQZQNJYRBOMEC-ZROIWOOFSA-N 280.323 3.613 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(CC(C)(C)C)nn1C 188355504 AOEJFXMIUZFEII-INIZCTEOSA-N 277.412 3.550 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1 190028065 HFXRKEXVKXWERK-MRXNPFEDSA-N 294.354 3.535 30 20 CHED C#CCCCC(=O)Nc1ccccc1N1CCCCCC1 192113325 YFEFYLXTFXCCFZ-UHFFFAOYSA-N 284.403 3.809 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc(Cl)cc2F)C1 193311196 URCHXXQNJGXJCK-MFKMUULPSA-N 266.747 3.651 30 20 CHED C=CCN(CC=C)Cc1c(F)c(F)c(F)c(F)c1F 196329862 PWDWOPOEEJOZQQ-UHFFFAOYSA-N 277.236 3.556 30 20 CHED Cc1cccc([C@H](C)NCc2cccc(C#N)c2F)c1 227349274 WBJBVTYLDQDDFL-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED CCn1cc([C@@H](C)Nc2ccc(C#N)cc2Cl)cn1 234247142 ZDMXQKJFUFWUTJ-SNVBAGLBSA-N 274.755 3.601 30 20 CHED C[C@@H](NCc1cc(C#N)cs1)[C@H]1C[C@H]2CC[C@H]1C2 246257428 UIXKVTLWMVZXGY-REJLFOLJSA-N 260.406 3.534 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)[C@@H]2CCCO2)C1 248874743 JANFNAXRCOYAKZ-UBDQQSCGSA-N 284.403 3.579 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C#N)s2)s1 255675961 HXJXOFWRDPIYNY-XQRVVYSFSA-N 259.355 3.886 30 20 CHED Cc1cccc(C)c1NC(=S)NN=Cc1ccccc1 256165926 JRYMMQSTDMLIHE-UHFFFAOYSA-N 283.400 3.624 30 20 CHED C=C(C)CN(CC)C(=O)NC1CC(c2ccccc2)C1 264088978 ZOPBGAXZKHEBRU-UHFFFAOYSA-N 272.392 3.540 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CCCc1cccs1 264202728 DVRIKABLTFGZRP-UHFFFAOYSA-N 292.448 3.859 30 20 CHED C[C@H](c1ccccc1)N(C(=O)c1cc(C#N)cs1)C1CC1 267607017 GNBKHRKWZUYUQC-GFCCVEGCSA-N 296.395 3.986 30 20 CHED CC(C)Sc1ccccc1NC(=O)N(C)C[C@@H](C)C#N 268520001 YDFAAQHPCVTWIS-LBPRGKRZSA-N 291.420 3.810 30 20 CHED CC(C)(C#N)CCCn1ccc(-c2cccs2)n1 269316698 HPJCBXGQJQXYGC-UHFFFAOYSA-N 259.378 3.942 30 20 CHED C#CC[C@@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1ccccc1 270458060 TWXUMBRIALOBFU-GOEBONIOSA-N 296.370 3.747 30 20 CHED C[C@H](NC[C@H](c1ccsc1)N(C)C)c1cccc(C#N)c1 271878787 OTCMGYRFCUMTAW-SUMWQHHRSA-N 299.443 3.573 30 20 CHED C[C@H](NCCCC#N)c1cccc(-c2ccncc2)c1 273268768 OFXZTCFKYIPOLK-AWEZNQCLSA-N 265.360 3.703 30 20 CHED C#CCCCCC(=O)Nc1nc(-c2ccccc2F)co1 280859948 NCIBKSNUFXSODO-UHFFFAOYSA-N 286.306 3.613 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(C(C)(C)C#N)cc1 281440202 CKZUYYCCUOGVQW-CZUORRHYSA-N 284.403 3.748 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C=C(CCC)CCC 281650009 YMOLOJSMQVWXAF-NVXWUHKLSA-N 279.424 3.610 30 20 CHED CSc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 282510795 YXXKEUZQNACCPN-MBNYWOFBSA-N 260.406 3.751 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cnc(C(C)(C)C)nc1 284518943 YXTZAQWEKFHHKJ-UHFFFAOYSA-N 288.439 3.536 30 20 CHED CC[C@@](C)(C#N)c1nc(C(C)(C)c2cccc(F)c2)no1 289061592 LQKSPCPSQJQLMS-INIZCTEOSA-N 287.338 3.726 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(-c2ccccc2OCC#N)n1 289171671 OTPLVGNXFSBZSZ-OLZOCXBDSA-N 297.358 3.933 30 20 CHED C#Cc1ccccc1Cc1nc([C@H]2CCCCS2)no1 289755742 JUTRELNYRLAZQI-CQSZACIVSA-N 284.384 3.600 30 20 CHED N#CCCCC(=O)N(Cc1ccccc1)Cc1ccccc1 291029350 DVUPTVWCSLYHFY-UHFFFAOYSA-N 292.382 3.909 30 20 CHED C[C@@H](NCCCC#N)c1csc(-c2ccccc2F)n1 291236691 OLDHISMKTHSULC-LLVKDONJSA-N 289.379 3.904 30 20 CHED N#Cc1ccc([C@H](O)CN[C@H]2CCCCC23CCCC3)cc1 291994502 XANAPEISJCPFOX-MSOLQXFVSA-N 298.430 3.684 30 20 CHED CCCN(C(=O)CCCC#N)[C@@H]1CCc2ccccc21 292287840 KBNAJXQIWMXOEX-MRXNPFEDSA-N 270.376 3.606 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H](C#N)C1 293347758 DLVVMSIZGHISFB-RISCZKNCSA-N 282.309 3.829 30 20 CHED CCN(Cc1cccs1)C(=O)[C@@]1(C#N)CC12CCCC2 294365269 JZALIVKJEMYIEU-INIZCTEOSA-N 288.416 3.571 30 20 CHED CCN(C(=O)[C@@H](C)C(C)(F)F)[C@@H](C)c1ccc(C#N)cc1 294726231 VXZQXDURUPAKBP-NEPJUHHUSA-N 294.345 3.759 30 20 CHED C=CCn1c(SCC=C(C)C)nnc1-c1cccnc1 299615838 YLKPYTISOOINAB-UHFFFAOYSA-N 286.404 3.584 30 20 CHED CCS[C@H]1CC[C@@H](N(C)c2cccc(F)c2C#N)C1 301483187 XQXFQSHFYCLERS-NEPJUHHUSA-N 278.396 3.808 30 20 CHED CC[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H](C)O1 301618874 LIMWCSANTXMGOX-GXFFZTMASA-N 298.308 3.581 30 20 CHED C#CCCCCNc1c(C#N)cnc2c(C)cc(F)cc12 301638698 MKTCQNPSPBGXLK-UHFFFAOYSA-N 281.334 3.769 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(C#N)nn1 302009177 VOJJKZYQMRGGQR-DLBZAZTESA-N 292.386 3.511 30 20 CHED COCc1ccccc1CNc1cc(C(C)=O)ccc1C#N 302022329 ITIJQIUVYZTQDJ-UHFFFAOYSA-N 294.354 3.519 30 20 CHED C[C@H](CC#N)Nc1cnc2cc(Cl)c(Cl)cc2n1 302065483 CRAMJRIRUCXTPY-SSDOTTSWSA-N 281.146 3.651 30 20 CHED N/C(=N/CCCc1ccc(Cl)cc1)Nc1ccccc1 303393776 ZWCAWIVTTKDFHD-UHFFFAOYSA-N 287.794 3.699 30 20 CHED N#Cc1ccc([C@H](O)CSCc2ccccc2)cc1 305077776 SHWZOHPJUJDMPB-MRXNPFEDSA-N 269.369 3.525 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(C#N)c(Br)c1 310220719 GZUKHPQETDOKDE-VIFPVBQESA-N 295.180 3.695 30 20 CHED COc1ccccc1Sc1nc(Cl)c(C#N)s1 310315758 XLDFMXRARCCXJJ-UHFFFAOYSA-N 282.777 3.828 30 20 CHED CC(C)c1cnc(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)s1 328934850 FJHCWGORUIWLGP-ZJUUUORDSA-N 280.393 3.860 30 20 CHED CC(C)c1cccnc1N=C(O)[C@@H]1C[C@H](C)CC(O)=N1 328946929 KBLCPBDHHXRPRM-JQWIXIFHSA-N 275.352 3.548 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2nc3ccsc3s2)CCC1=O 329002844 WMELAFQTBMNUTJ-SFYZADRCSA-N 294.401 3.951 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2CCC[C@@H](CC)C2)c1C 331164214 XVRBMNQEZFKAGP-GXTWGEPZSA-N 292.427 3.830 30 20 CHED CN(C(=O)Nc1ccc(C#N)cc1Cl)C1CC(C)(C)C1 332477810 OJRRCCZXGMTUQQ-UHFFFAOYSA-N 291.782 3.864 30 20 CHED CC(=O)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1 334767215 XRWFWXUNZMHKBN-UHFFFAOYSA-N 298.729 3.667 30 20 CHED Cc1nnc([C@H](C)Sc2ccccc2C#N)s1 334809624 INDMXWOMIDZLCZ-QMMMGPOBSA-N 261.375 3.572 30 20 CHED C=CCN(C(=O)c1c(C)cccc1Br)C1CC1 336686592 GGXCOSYRDJCPRZ-UHFFFAOYSA-N 294.192 3.548 30 20 CHED Cc1nc2cc(NC(=O)c3cccc(C#N)c3C)ccc2o1 338165018 CJCGOJGZIUAGQB-UHFFFAOYSA-N 291.310 3.569 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)cc1 340720385 GYZPYYPDLPVDQQ-RDJZCZTQSA-N 276.339 3.691 30 20 CHED N#CC1(CSCc2nnc(-c3ccccc3)s2)CC1 342741195 MFIAFDCTGMHJLZ-UHFFFAOYSA-N 287.413 3.742 30 20 CHED Cc1cc(NCc2c(C)oc3ccccc23)cc(C#N)n1 342886762 YJXHOMNQFJUJNZ-UHFFFAOYSA-N 277.327 3.928 30 20 CHED C[C@H](NC(=O)c1cccc2c1CCC2)c1ccc(C#N)cc1 342923869 SMSXCBQFXJRPSO-ZDUSSCGKSA-N 290.366 3.538 30 20 CHED Cc1ccnc(N(C)[C@H](C)c2ccc(F)c(F)c2)c1C#N 343504767 CHNMVNQRVPAEPH-LLVKDONJSA-N 287.313 3.737 30 20 CHED CCOc1cccc([C@@H]2C[C@H]2Nc2nccc(C)c2C#N)c1 343537363 MSEXABUQOZNUBK-DOTOQJQBSA-N 293.370 3.628 30 20 CHED Cc1csc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c1C#N 344933888 YHGKBABCNJTDHN-NXEZZACHSA-N 276.405 3.939 30 20 CHED Cc1cccc2cc(C(=O)NCC(C)(C)CCC#N)oc12 345902441 IGTBXRHMJXLAPD-UHFFFAOYSA-N 284.359 3.801 30 20 CHED N#Cc1ccc(Cl)cc1NCCc1cccc(O)c1 346669768 LBARYJLJVWNPED-UHFFFAOYSA-N 272.735 3.572 30 20 CHED C=CCCO[C@H](C)C(=O)N(Cc1ccccc1)CC(C)C 346900022 AUEGCNUMAUKHHO-MRXNPFEDSA-N 289.419 3.652 30 20 CHED CC[C@H]1C[C@H](CC(=O)N(CCC#N)C(C)(C)CC)CCO1 348541237 SHUDUEZHHILJKM-CABCVRRESA-N 294.439 3.513 30 20 CHED C[C@H]1COC[C@@H](c2ccccc2)N1Cc1ccccc1C#N 354857475 ISQUEVQSZITZAI-KXBFYZLASA-N 292.382 3.520 30 20 CHED COc1ccc(C#N)cc1NCc1cc2ccccc2o1 354866241 IUFJAVSUVGYVME-UHFFFAOYSA-N 278.311 3.925 30 20 CHED CC(C)c1ccccc1OCCNc1cccnc1C#N 357262654 MONMUAPBFFJSPF-UHFFFAOYSA-N 281.359 3.568 30 20 CHED CC[C@H](C)c1noc([C@@H](C)c2cccc(C#N)c2)n1 361023735 YXINRISTHPSPTB-QWRGUYRKSA-N 255.321 3.607 30 20 CHED C=CCC[C@H](C)NCc1cccc(Br)c1O 381047112 DMNWYPMWKNPPMD-JTQLQIEISA-N 284.197 3.599 30 20 CHED CC[C@@H](NC(=O)C1(C#N)CCCCC1)C1CCCC1 382855396 REUVPKKPRSJPGD-CQSZACIVSA-N 262.397 3.545 30 20 CHED C=CCOCCN[C@@H](C)c1cccc(C(F)(F)F)c1 388569876 RTSFHKLLVMIJRW-NSHDSACASA-N 273.298 3.559 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 410133613 ZLBGJIKJWXWJMK-KKUMJFAQSA-N 277.795 3.914 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1ccoc1CC 412811442 BWPKHVFAFKJFAJ-OAHLLOKOSA-N 283.371 3.759 30 20 CHED Cc1ccccc1C[C@@H]1CCCN1c1ncc(C#N)cc1F 413140692 LQLCJCNNTTVUKX-INIZCTEOSA-N 295.361 3.612 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1c1ncc(C#N)cc1F 413322825 HMYMHDROJYTYLG-WWGRRREGSA-N 295.361 3.863 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 416107925 PKDDKHUDYJTNFN-GLJUWKHASA-N 296.414 3.878 30 20 CHED N#CC1(CCOc2c(F)cccc2[N+](=O)[O-])CCCCC1 418948841 OVCCPOPAXQFHBQ-UHFFFAOYSA-N 292.310 3.977 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)NCc1ccc(C#N)s1 420840174 JAKWODCNAWLSKP-GFCCVEGCSA-N 291.420 3.554 30 20 CHED N#CC1(CN[C@H](CC(F)F)c2ccccc2)CCC1 420990192 DVJMDPDIJMOBDB-CYBMUJFWSA-N 264.319 3.666 30 20 CHED C=CCC1(CN[C@@H](Cc2ccccc2)[C@@H](C)N)CCCC1 423162560 PWPSHCLPCAYQJD-AEFFLSMTSA-N 286.463 3.671 30 20 CHED C[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)c(F)c1 424317345 BYVAVZHLVPAZFA-FUEDEBDSSA-N 258.340 3.537 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(O)ccc1Br 426551846 HZFFJOUAMUQLMN-GFCCVEGCSA-N 296.208 3.695 30 20 CHED CCCCC[C@H]1CCCN1C(=O)CNc1cccc(C#N)c1 427202765 HBQXRUIQACCFFL-KRWDZBQOSA-N 299.418 3.541 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1nc2cc(Cl)ccc2n1C 427841699 ITOYRXYXNNNZAU-RYUDHWBXSA-N 291.826 3.917 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(C#N)c(Cl)c1 432735950 RJIWGPDPIZNHOP-UHFFFAOYSA-N 291.782 3.935 30 20 CHED Cc1cc(OCc2nc(C3CC3)cs2)ccc1C#N 434649703 CCNQLBNFRVQAOX-UHFFFAOYSA-N 270.357 3.780 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2ccncc2)c(Cl)c1 439433060 YDOYRWLBMPNYOM-QGZVFWFLSA-N 297.789 3.944 30 20 CHED CO[C@H](c1ccccc1Cl)[C@H](C)N[C@@H]1CC[C@H](C#N)C1 442870928 LBHQVYLKOICXIB-JFILPPLUSA-N 292.810 3.698 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(O)CCC(C(C)(C)C)CC1 442982321 LGRWKXDNQWMGPF-ZCDVPAHGSA-N 295.467 3.672 30 20 CHED CCCn1c(-c2ccc(C#N)c(OC)c2)nc2ccccc21 443033022 DHZGRYLPQWTZFL-UHFFFAOYSA-N 291.354 3.994 30 20 CHED CC#CCCN1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 444701999 XLGFLIPRLVUQCU-XJKSGUPXSA-N 277.795 3.515 30 20 CHED C=CC[C@H]1N(CC[C@H]2CCCO2)CCCC1(C)C 444777658 SXTQHORTHKLPKV-HUUCEWRRSA-N 251.414 3.622 30 20 CHED CCO[C@H](CNc1nc(C)cc(C)c1C#N)c1ccccc1 444874935 RJWBMIOVOUVFHZ-QGZVFWFLSA-N 295.386 3.760 30 20 CHED C=CCN(C)C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 448285894 QRSXQKQLVFTUIR-HZPDHXFCSA-N 272.392 3.698 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)c1cc2ccccc2o1 452718013 NPLNVQMZRRUVHE-LBPRGKRZSA-N 257.333 3.619 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(SC2CC2)cc1 452772151 CZEZPKPTGDCJGS-UHFFFAOYSA-N 275.417 3.883 30 20 CHED C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(C)(F)F 453299589 UWROSOZQMPQFFH-ABAIWWIYSA-N 278.346 3.959 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 454962731 NPSXSOPKQFFMRL-MNOVXSKESA-N 298.308 3.584 30 20 CHED C=CCC1(NC(=O)C[C@@H](OCC)C(=C)C)CCCCC1 456365888 LUVHKARDLOMYKB-OAHLLOKOSA-N 279.424 3.753 30 20 CHED N#CCCCC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 456761964 JRGSCEFUZFXRJQ-IRXDYDNUSA-N 284.403 3.770 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)N(C)CC(C)(C)C#N 458263086 ZMBWJSADSFNASM-HUUCEWRRSA-N 293.455 3.782 30 20 CHED CC(C)(CC#N)CNCCCCCOc1ccccc1 459726347 FCGUPCSAECAXID-UHFFFAOYSA-N 274.408 3.765 30 20 CHED CCCn1c(-c2ccc(OC)c(C#N)c2)nc2ccccc21 463897696 LXDSZAZKVXYQQF-UHFFFAOYSA-N 291.354 3.994 30 20 CHED C=CC[C@H](CC)NC1CCN([C@@H]2CCC[C@H](C)C2)CC1 467405836 HSMOWZDOIWGUEZ-XYJFISCASA-N 278.484 3.974 30 20 CHED C=CCCN(C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 470208859 USUXFSSTVJQKRC-JLHYYAGUSA-N 260.337 3.506 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@H](c1ccccc1)N(C)C 471611300 BZAOJQHOIANRAV-LISAXSMJSA-N 274.452 3.868 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CC[C@@H](C)C1)c1ccccc1 474111941 GFFRWVSHGMYPHD-FMKPAKJESA-N 257.377 3.651 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 474906058 JNTARQKHLVQAOH-UHFFFAOYSA-N 287.359 3.879 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@H]1CC[C@@H](F)C1 483140490 PPOVWUUYOSMOLJ-KGLIPLIRSA-N 276.355 3.817 30 20 CHED C[C@H](Cc1ccncc1)Nc1c(Cl)cccc1C#N 487636482 RLENLPZQQIJMHO-LLVKDONJSA-N 271.751 3.650 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCc3cccc(F)c3)c2c1 487934092 WCRIMOUYXWRGJK-UHFFFAOYSA-N 291.329 3.588 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 488004261 FNMKZWOFVQQHLQ-OAHLLOKOSA-N 288.435 3.959 30 20 CHED Cc1nc(N(C)[C@H](C)c2c(F)cccc2F)ccc1C#N 488083293 PPOUPXHMLORNAD-LLVKDONJSA-N 287.313 3.737 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Oc1cccc(Cl)c1 488845619 WUTQSANAZGPODQ-JSGCOSHPSA-N 293.794 3.674 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1c(C)cccc1F 491484102 HFSDNQPJNRLXCU-UHFFFAOYSA-N 296.345 3.801 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 491624506 HYJKZQLSQGZVIG-LLVKDONJSA-N 287.746 3.694 30 20 CHED C#C[C@H](NCc1ccsc1)c1ccc(Cl)cc1 491736027 UPADLFLPAIIPDN-AWEZNQCLSA-N 261.777 3.866 30 20 CHED C[C@H](CSc1cccc(C#N)c1)NC(=O)OC(C)(C)C 492440343 XHWZREHXRAMNAD-LLVKDONJSA-N 292.404 3.564 30 20 CHED C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(C#N)cc1 494855987 GPGABCWTJHWCOQ-NTCAYCPXSA-N 290.366 3.734 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N(C)CC(C)(C)C#N 497449365 YRRLFNLYHHURQH-CQSZACIVSA-N 264.413 3.601 30 20 CHED CCSc1ccc([C@@H](C)NC(=O)[C@](C)(C#N)CC)cc1 511176782 YXPPABYWLGLOSK-WBMJQRKESA-N 290.432 3.916 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(C#N)s1 512046847 VTHRYXJFYORWNG-UHFFFAOYSA-N 282.412 3.850 30 20 CHED C=C1CCN(Cc2cc(C)ccc2OC(F)F)CC1 513461680 ODECBHQBKCVINI-UHFFFAOYSA-N 267.319 3.748 30 20 CHED CCN(c1ncc(C#N)cc1Cl)C1CCCCC1 513630406 OHESQEVMJNQSHV-UHFFFAOYSA-N 263.772 3.766 30 20 CHED C=CC1CCN(C(=O)NCC2(c3ccccc3C)CC2)CC1 522053076 PHSOKRKKRHXRMM-UHFFFAOYSA-N 298.430 3.634 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 525182746 YDNSDBIYSIVMPJ-IXDOHACOSA-N 254.377 3.617 30 20 CHED CCN(C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1)[C@@H](C)c1ccc(C#N)cc1 528160685 UHSPCCRJNDZEET-XLQHLMKVSA-N 296.414 3.760 30 20 CHED N#CCC1CCN(C/C=C\c2ccc(Cl)cc2)CC1 530336761 RWYQRCXVIOECHJ-UPHRSURJSA-N 274.795 3.979 30 20 CHED C=CCCN[C@@H](C)[C@H](OC)c1ccccc1Cl 537588724 ILSLYKDUSKFVAC-FZMZJTMJSA-N 253.773 3.582 30 20 CHED CC(C)[C@H]1CCCN(Cc2cc(C#N)cs2)CC1 537625036 FXDIQNJMNWFOSH-AWEZNQCLSA-N 262.422 3.878 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(N(C)C)cc1C 538338415 LTLCWLXFUJTRLO-AWEZNQCLSA-N 289.423 3.927 30 20 CHED C=C(CC)CNC1(c2nc(C)cs2)CCCC1 539116388 YYNLYXJUPAWTOU-UHFFFAOYSA-N 250.411 3.777 30 20 CHED C=CCCOCCCCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 539501231 CZRQRIUWDUWYQS-BRWVUGGUSA-N 293.451 3.929 30 20 CHED CC(C)(C)[C@H](NCc1cc(C#N)ccc1F)C(F)(F)F 548787102 BFKFJCKEOLWWJV-LBPRGKRZSA-N 288.288 3.764 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)c1cc(C#N)ccc1Cl 552050902 YPVCLMVJXUIEOQ-MNOVXSKESA-N 278.783 3.766 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](C)Sc1ccccc1 556382325 VBDKCFGVPQZANI-CYBMUJFWSA-N 277.433 3.886 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NC[C@@H](C)C#N 556838603 LULTVMRDQPOOPI-CQDIZWNASA-N 290.451 3.895 30 20 CHED C=CCN(CCc1ccco1)C[C@@H]1CCC2(CCCC2)O1 558723694 ZCKQZXSQYCCQSB-KRWDZBQOSA-N 289.419 3.802 30 20 CHED C=CCCCCSCC(=O)Nc1cc(F)ccc1F 561244446 JIMMSIBJORTUNK-UHFFFAOYSA-N 285.359 3.993 30 20 CHED CC1CCC(CNC(=O)N2CCC(CCC#N)CC2)CC1 566149282 HCWVYTYCCUGQCP-UHFFFAOYSA-N 291.439 3.538 30 20 CHED C=C(C)C(C)(C)c1nc(-c2nnc(-c3ccccc3)o2)no1 568499999 MWSJNADSRCZAFZ-UHFFFAOYSA-N 296.330 3.640 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@H](C)c1ccccc1 570331037 SIOIDJNQCOQFQA-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED CC(C)(CC#N)CSCc1ccc2c(c1)OCO2 570410847 JSBQQMGPNMZFOR-UHFFFAOYSA-N 263.362 3.588 30 20 CHED CC[C@](C)(C#N)c1nc(-c2oc3ccccc3c2C)no1 575025182 CWJKQWCFJOWPJN-MRXNPFEDSA-N 281.315 3.983 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C1CCC1)C1CC1 578608541 OSQKBPXGLHTBRH-MRXNPFEDSA-N 283.375 3.567 30 20 CHED C=CCOc1ccc(CC(=O)N(C)[C@H](C)C(C)(C)C)cc1 579796915 YDFOJTLQFGNKLJ-CQSZACIVSA-N 289.419 3.687 30 20 CHED N#CC1(CSc2n[nH]c(/C=C/c3ccccc3)n2)CCC1 582886132 VWEJGYPEAFLAGD-BQYQJAHWSA-N 296.399 3.761 30 20 CHED C=CCCCCSc1nnc(C2CC2)n1CC=C 583363054 NRYCEUYRVXZIQB-UHFFFAOYSA-N 263.410 3.790 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H]2CC=CCC2)cc1 584386169 SQOACPDTAPKSOB-DLBZAZTESA-N 282.387 3.628 30 20 CHED C=CCC1(C(=O)NCc2cccc(C(C)=O)c2)CCCC1 584729925 MQAAIULIXQTZSM-UHFFFAOYSA-N 285.387 3.642 30 20 CHED C[C@H]1CCC[C@H](NC(=O)CCCCCC#N)CC1 588164872 WLBAEEPXJHVSJK-KBPBESRZSA-N 250.386 3.545 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)C[C@@H]1c1cccnc1 588204775 OCIRGUNKRBERJC-AUUYWEPGSA-N 291.398 3.845 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(F)cc31)CC2 589342401 QRVDRTKXKQHPPX-MOPGFXCFSA-N 292.357 3.962 30 20 CHED Cc1c(C(=O)N[C@@H](C)c2cccc(C#N)c2)ccn1C(C)C 590286385 SGFIBJRJPOVGEP-ZDUSSCGKSA-N 295.386 3.740 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](C)c2ccccc21 590726182 ZZGQNSNQQBRLKY-GFCCVEGCSA-N 293.370 3.739 30 20 CHED C[C@H](NC(=O)NCC(C)(C)C1CCC1)c1cccc(C#N)c1 590807360 ABDYZHAKIHMVAB-ZDUSSCGKSA-N 299.418 3.745 30 20 CHED C[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)[C@H]1CCC[C@@H](C)C1 590839756 LGULHKYZXFCGPC-WBTNSWJXSA-N 291.439 3.536 30 20 CHED C[C@@H](C#N)N(Cc1ccccc1OCC(F)(F)F)C1CC1 595719944 BVDLSTRSISSNHM-NSHDSACASA-N 298.308 3.504 30 20 CHED CN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1cccc(C#N)c1 596930093 GRIVZGJXNYSSDE-HZPDHXFCSA-N 282.387 3.737 30 20 CHED N#CC[C@@H]1CCCN(C/C=C/c2ccc(F)cc2F)C1 597176697 JIBPNZCYDGJXPD-OHVSUOQFSA-N 276.330 3.604 30 20 CHED CCCc1csc(NC(=O)CC2(C#N)CCCCC2)n1 597460305 PFTLSCZKRQGUBG-UHFFFAOYSA-N 291.420 3.898 30 20 CHED Cc1ccccc1C1(C(=O)N2CCC[C@H](CC#N)C2)CCC1 597904879 LSCHTOKPIDMTBW-MRXNPFEDSA-N 296.414 3.569 30 20 CHED CCN(C(=O)c1cc2cc(Cl)ccc2s1)[C@@H](C)C#N 598351207 WYJNZINMHHCTNM-VIFPVBQESA-N 292.791 3.929 30 20 CHED CCN(C(=O)[C@H](C)c1ccc2ccccc2c1)[C@@H](C)C#N 598359279 NGGKQMCPUZXZON-UONOGXRCSA-N 280.371 3.704 30 20 CHED CCCOc1ccc(NC(=O)C(C#N)(CC)CC)cc1F 600700596 ITBOSVWOSBSKGH-UHFFFAOYSA-N 292.354 3.883 30 20 CHED COc1ccc(-c2cccc([C@@H]3CCCN3)c2)c(C#N)c1 600789603 GMTMBMFVNRNOLW-SFHVURJKSA-N 278.355 3.658 30 20 CHED N#C[C@@H](Sc1nc(C2CC2)nn1-c1ccccc1)C1CC1 601074127 KJXPURWAGWHFDE-CQSZACIVSA-N 296.399 3.539 30 20 CHED CCc1ccc([C@H](N=c2ccc(C#N)c[nH]2)C(C)C)cc1 602371289 KRRSKJRTRJMNGL-GOSISDBHSA-N 279.387 3.747 30 20 CHED C[C@H](CCC#N)CN1CCC(c2c[nH]c3ncccc23)CC1 602446728 IOWMBMNKSAYYIC-CQSZACIVSA-N 296.418 3.682 30 20 CHED CN(Cc1ccc(Br)s1)CC1(CC#N)CC1 602766594 NPHOQMZQYBDWNZ-UHFFFAOYSA-N 299.237 3.636 30 20 CHED C=CC[C@H](C)NC(=O)c1oc2c(F)cccc2c1C 604880335 YBKLTNVBGMZBGN-VIFPVBQESA-N 261.296 3.575 30 20 CHED C=CCCOCC(=O)N1CCCc2ccc(Cl)c(C)c21 605493239 XDMCVVXLRWNJBD-UHFFFAOYSA-N 293.794 3.520 30 20 CHED C[C@H](NC(=O)Nc1ccc(F)cc1)c1cccc(C#N)c1 610317000 UXPQPPFXEYYMBY-NSHDSACASA-N 283.306 3.580 30 20 CHED C[C@@H](NCc1cc(F)c(F)c(F)c1)c1cccc(C#N)c1 610344880 KGBISZAQJKAKAR-SNVBAGLBSA-N 290.288 3.826 30 20 CHED CCc1ccccc1C(=O)N[C@H](C)c1cccc(C#N)c1 610900202 SPGVIGAADWZCNZ-CYBMUJFWSA-N 278.355 3.612 30 20 CHED CC1(NCc2ccc(C#N)cc2F)CCC(F)(F)CC1 612192043 NBUTUILIKBRDOB-UHFFFAOYSA-N 282.309 3.755 30 20 CHED C[C@H](c1cccc2ccccc12)N1CC[C@@](F)(C#N)C1 615638293 GNMQZHNMFQAFDN-CXAGYDPISA-N 268.335 3.838 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)cc(F)c2)C1 617783284 XHDXLKXLWGUCRY-ZDUSSCGKSA-N 261.340 3.562 30 20 CHED CC[C@H](NC[C@H]1Cc2ccccc21)c1ccc(C#N)cc1 618567907 IIYYXRKMBUMUFR-MJGOQNOKSA-N 276.383 3.939 30 20 CHED CCC[C@@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(C)C 618790250 ZATPSIZSKRDINJ-NVXWUHKLSA-N 284.403 3.734 30 20 CHED Cc1nc(C)c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 618803290 HWDXARNZOQLEND-MEDUHNTESA-N 297.427 3.970 30 20 CHED CC[C@H](OC)C(=O)Nc1cccc(C#Cc2cccs2)c1 620851247 BBCWYKQZAVULSS-INIZCTEOSA-N 299.395 3.511 30 20 CHED C=CCCOCCN[C@@H]1CCc2cc(F)c(Cl)cc21 623924945 STQWNUIBGCUZCS-OAHLLOKOSA-N 283.774 3.649 30 20 CHED C=CCC(C)(C)C(=O)N1CC(Cc2cccc(C)c2)C1 645747088 BIPKDKMQZSMVQA-UHFFFAOYSA-N 271.404 3.598 30 20 CHED C=CCN(C(=O)CC(O)(CCC)CCC)c1ccccc1 647741851 MMFDAJTTZQHPMJ-UHFFFAOYSA-N 289.419 3.927 30 20 CHED C=CCC[C@H](N[C@H]1CCN(C(C)(C)C)C1)c1ccco1 658095478 HRDGWSAWZQMLPP-GJZGRUSLSA-N 276.424 3.749 30 20 CHED C=CCCNC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 665941289 WUXCIVBKOVDFRR-IIAWOOMASA-N 272.392 3.539 30 20 CHED C=C(C)CN(C)C(=O)Nc1nc2c(s1)CCCC2(C)C 685690978 RQBYNYXLOPSCDN-UHFFFAOYSA-N 293.436 3.797 30 20 CHED C#CCOc1cccc(NC(=O)N[C@@H](C)CCCCC)c1 731110936 KYVJPVBJHLSENE-AWEZNQCLSA-N 288.391 3.789 30 20 CHED C=CCc1cc(OCC)cc(CN(C)C[C@@H](C)CC)c1O 732182339 GJCVQBOLEPKRHP-AWEZNQCLSA-N 291.435 3.997 30 20 CHED C#CCOc1ccc(C(C)=NNc2ccc(F)cc2)cc1 733201820 YWSXPXXMXWONPA-UHFFFAOYSA-N 282.318 3.674 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N(CCC#N)CC(C)C 734092636 WGJWNFSZVQDVIF-MRXNPFEDSA-N 278.440 3.991 30 20 CHED C=CC[C@@H](NC(=O)N[C@@H](CC)CCC)c1ccncc1 734664539 GNPVVOHDZIXZIE-LSDHHAIUSA-N 275.396 3.577 30 20 CHED C=CCOC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 738742982 NQDPUNCQFLADLB-SNVBAGLBSA-N 272.266 3.928 30 20 CHED C=C(C)CNC(=S)N1CC[C@@H]1c1ccc(Cl)cc1 741877076 WNIQOXQHALALJO-CYBMUJFWSA-N 280.824 3.537 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc2c(c1)COC2 743417376 HRFFVHPFOFBBOW-UHFFFAOYSA-N 266.344 3.861 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc(Cl)nc2)c1 744394964 OYJJJFIFVPIJAK-UHFFFAOYSA-N 270.763 3.743 30 20 CHED CC1=C(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCC1 747200105 ANGKCYUALURDNB-HNNXBMFYSA-N 276.339 3.911 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2ccccn2)cc1 747626860 ATWUWCNOEVOVJN-LBPRGKRZSA-N 269.348 3.682 30 20 CHED N#Cc1cc2ccccc2nc1NC[C@@H]1CC1(Cl)Cl 750013619 NVLIFVNLCSZERY-NSHDSACASA-N 292.169 3.712 30 20 CHED CC(C)[C@@H]1CN(c2nc3ccccc3cc2C#N)CCS1 750029724 MCXJZRPPSOFMGP-INIZCTEOSA-N 297.427 3.684 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H](C)c1ccc(F)cc1 751374378 NCLKOMUFXAQYJE-CQSZACIVSA-N 290.382 3.718 30 20 CHED CCCc1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)cc1 752423343 GAXYWYSJZNOWEO-QGZVFWFLSA-N 285.391 3.797 30 20 CHED Cc1csc(C=NNc2ncc(Cl)cc2Cl)n1 755541316 ILARXCAVWMVKFL-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)C1CCOCC1 755592641 JOCFVARGUSWWOF-UHFFFAOYSA-N 287.388 3.634 30 20 CHED C=C(C)[C@@H](C)OC(=O)CCc1c[nH]c2cc(C)ccc12 756000950 NLPCIYHRPOYVNA-CYBMUJFWSA-N 271.360 3.917 30 20 CHED C/C(C=NN=c1cc[nH]cc1Cl)=C\c1ccccc1 756838737 NIWLXLKZNNAHQG-AGEXOYPBSA-N 271.751 3.658 30 20 CHED C#CC[C@H](NC(=O)NCCC1=CCCCC1)c1ccccc1 756867263 LFWFOFHYHYPNSI-SFHVURJKSA-N 296.414 3.941 30 20 CHED C=C[C@@H](C)NC(=O)c1sccc1-c1ccc(F)cc1 757009887 NPAWHBODKNZNMA-SNVBAGLBSA-N 275.348 3.859 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(N2CCC(C)CC2)cc1 757192912 HFHPKDRAHBPOQF-CQSZACIVSA-N 287.407 3.619 30 20 CHED C=CCOC(=O)c1ccccc1CCC(F)(F)F 758925409 ATCKFFYJFLLPII-UHFFFAOYSA-N 258.239 3.524 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@@H]1CO 759685877 HZLPZVQVLHJYSH-OAHLLOKOSA-N 269.429 3.501 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CC[C@H](CO)C1 759701161 LPTSTAAJWSOWIV-OFAQMXQXSA-N 281.440 3.524 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2cccc(-n3cccn3)c2)c1 760263490 OATFHEVVSYTAHZ-HJWRWDBZSA-N 299.333 3.640 30 20 CHED Oc1ccccc1/C=N\C1CCC(O)(c2ccccc2)CC1 761013870 CCELVTQMMMENBF-ZHZULCJRSA-N 295.382 3.642 30 20 CHED C=CCCC(=O)COC(=O)c1cc2c(F)cccc2s1 761351561 WZVJKJNMTFPRQC-UHFFFAOYSA-N 292.331 3.733 30 20 CHED C=CC[C@H](N[C@@H](C)c1cnc(C)s1)c1ccncc1 761450907 MESBUCHBHGQPIA-FZMZJTMJSA-N 273.405 3.815 30 20 CHED C#CCCc1noc(-c2cc(F)c(Cl)cc2Cl)n1 762017588 IAVYQLDZDJIVLQ-UHFFFAOYSA-N 285.105 3.748 30 20 CHED FC(F)(F)CON=Cc1c(Cl)cccc1Cl 764847283 XLUZSJJRMZIHFP-UHFFFAOYSA-N 272.053 3.906 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCC[C@H](C)OC)cc1 765630371 NDBQOTVKOMPIKM-KBPBESRZSA-N 297.826 3.894 30 20 CHED C=CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 766021523 UJYJFOHTFDRMDN-CXAGYDPISA-N 297.358 3.958 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)c1cccc(F)c1F 766670026 AJOZIFXSVJQNFP-XPAGJJBOSA-N 291.297 3.859 30 20 CHED C#CCCCN(CCC)[C@H](C)c1ccccc1OC 766896184 QQFLWMDJXWYQQK-OAHLLOKOSA-N 259.393 3.882 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2nc(CCCC)[nH]c2c1 767078672 RVTMGJLJRBXQGN-UHFFFAOYSA-N 297.402 3.894 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc3cccnn23)CCCC1(C)C 767219166 PLMFZIYWNKHRED-MRXNPFEDSA-N 297.402 3.541 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@H]1CC=CCC1 767981649 SVVLGKRVKFFEJE-AWEZNQCLSA-N 283.371 3.887 30 20 CHED CC(C)CN(CCC#N)C[C@H]1C[C@@H]1c1ccccc1 768154470 UESJXODYIBMESP-IAGOWNOFSA-N 256.393 3.662 30 20 CHED C#CC[C@@H](NC(=O)N[C@@H](C)CCC1CC1)c1ccccc1 768948575 YQDMRWJJMCMZJM-WMLDXEAASA-N 284.403 3.629 30 20 CHED C=CCC[C@H](NC(=O)/C=C/C=C\C)c1ccccc1 772170313 RJXNAUUDYSBFCB-LWYJJMIZSA-N 255.361 3.942 30 20 CHED C=CCN(C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC1 772382278 PNQLPOYQFAWRHZ-CQSZACIVSA-N 286.202 3.677 30 20 CHED C=CC[C@H](NC(=O)N1[C@@H](C)CC[C@@H]1CC)c1ccncc1 772494016 LIJKHHZYCQENKK-BPUTZDHNSA-N 287.407 3.671 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)cc1 772796386 HOOMAKPQHWZPAQ-YFHOEESVSA-N 294.329 3.659 30 20 CHED CCCCCCCC(=O)NC1CCC(O)(CC)CC1 772876536 LFWMUXMEOGCVPY-UHFFFAOYSA-N 269.429 3.547 30 20 CHED C#CCSCCN[C@H]1CCSc2c(Cl)cccc21 773010084 FWRWBAZVUHDMBP-ZDUSSCGKSA-N 297.876 3.833 30 20 CHED Cc1cc(C=NN[C@@H]2CCCCC2(C)C)c(C)n1C 773126930 XBUPZGNFDMAJNC-OAHLLOKOSA-N 261.413 3.534 30 20 CHED CCOc1ccc(/C=N/[C@@H](C)c2ccncc2CC)c(O)c1 773152047 QAEDIACVUDAHPM-DZUMZMOTSA-N 298.386 3.928 30 20 CHED N#CCCCOc1cccc(C=NOC2CCCC2)c1 774602142 FJYUKQREWKCNHY-UHFFFAOYSA-N 272.348 3.662 30 20 CHED C=CCOc1cccnc1C(=O)OC/C=C\c1ccccc1 775112416 ISOXSAAHTWCCBO-YFHOEESVSA-N 295.338 3.517 30 20 CHED Cc1ccc(OCCNC2(c3cccc(C#N)c3)CC2)cc1 775430787 JKSZOYTVDUWMPR-UHFFFAOYSA-N 292.382 3.524 30 20 CHED CC#CCN(Cc1ccccc1O)[C@@H](C)c1ccccc1 776009245 IVHZZLYKSIELSN-INIZCTEOSA-N 279.383 3.979 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc1 776727336 WICMTTBZEUOORU-RUDMXATFSA-N 281.286 3.602 30 20 CHED CC(CCn1cccn1)=NOc1ccccc1C(F)(F)F 776775377 IBXJJDSACFBEHH-UHFFFAOYSA-N 297.280 3.747 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 777910411 AVZMRRYTGVWIAI-FNORWQNLSA-N 289.237 3.769 30 20 CHED C[C@H](OC(=O)C[C@H]1C=CCCC1)c1cccc(C#N)c1 778630412 ATKRNBRZIBNYJC-KBPBESRZSA-N 269.344 3.909 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 778696776 BOZRTEFBCKLUJI-VIFPVBQESA-N 275.691 3.723 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)c1ccc(C)o1 778986046 ZLYLEWHVQLKIBZ-AWEZNQCLSA-N 287.359 3.542 30 20 CHED C=CCN(C)C(=O)c1cc(C)ccc1-n1c(C)ccc1C 779125997 QQCIROFMRJUTTJ-UHFFFAOYSA-N 282.387 3.661 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccc3[nH]ncc3c2)C1 779815559 BYBGTFADLWVPMB-NWDGAFQWSA-N 256.353 3.787 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@@H]1CCC=CO1 780150555 WSMMITYWHLFWPG-QCUKBLKESA-N 267.328 3.657 30 20 CHED CCCCCCCC(=O)Nc1cc(O)cc(OC)c1 781025793 XKGLYYIPHMCKDJ-UHFFFAOYSA-N 265.353 3.700 30 20 CHED Cc1cccc2c1C/C(=C/c1cc(C(=O)O)cs1)C2=O 782200559 MTWWKBZLCLLWLZ-YHYXMXQVSA-N 284.336 3.577 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)[C@@]1(C)CCCO1 782221983 PYVBBMXCOIGBIJ-CYBMUJFWSA-N 297.742 3.605 30 20 CHED Clc1csc(C=NNCCCOc2ccccc2)c1 782229362 DFNCXZBPIGGMOD-UHFFFAOYSA-N 294.807 3.794 30 20 CHED Cc1ccc(C(=O)/C=C/c2scnc2C2CC2)c(O)c1 782348165 PYRAVZMGRZMGBS-VOTSOKGWSA-N 285.368 3.931 30 20 CHED C=CCCCCCOC(=O)/C=C/c1ccc(O)cc1 782441181 SRZKYTDGTPHBHK-FMIVXFBMSA-N 260.333 3.695 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(NC(=O)C(C)C)cc1 785603474 ZGVXEXUTIMHYOT-KRWDZBQOSA-N 289.375 3.789 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H]1CCOc2ccc(OC)cc21 786637486 KMMVKKSSXNUMLB-WBVHZDCISA-N 290.359 3.664 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1ncc[nH]1 790151240 XZKCOHWEFFJCRR-UHFFFAOYSA-N 269.135 3.553 30 20 CHED CC[C@H](C)NN=C(C)c1ccc2ccccc2c1O 790182811 LINUNTIENABHFS-NSHDSACASA-N 256.349 3.658 30 20 CHED C#C[C@@H](CCC)NC(=O)CCCCc1ccc(C)cc1 791201448 AHOFCMNYVYPDNQ-KRWDZBQOSA-N 271.404 3.626 30 20 CHED C=CCC1(C(=O)OCCCOCc2ccccc2)CCC1 791560781 NERSRPGRHJWNPM-UHFFFAOYSA-N 288.387 3.883 30 20 CHED C[C@@]1(C=NNc2cc(F)c(F)c(F)c2)CCCS1 793026842 NJNBMUONBUFOQP-LBPRGKRZSA-N 274.311 3.787 30 20 CHED Cc1ccc(F)c(NN=C[C@@]2(C)CCCS2)c1 793028066 XOANCJJHFHKXKB-CYBMUJFWSA-N 252.358 3.818 30 20 CHED Cc1ccc(F)c(NN=C[C@H]2CCCSC2)c1 794918487 IKCNEHFKVRUQGX-LLVKDONJSA-N 252.358 3.675 30 20 CHED CCC(=NOCc1cccnc1)c1cccc(C)c1 794922433 JEVNQGTXSKNALJ-UHFFFAOYSA-N 254.333 3.721 30 20 CHED COc1ccc(/C=C2\CCc3ccc(O)cc3C2=O)cc1C 794960408 RJTNFTHOZXEYHV-XNTDXEJSSA-N 294.350 3.922 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NNc1cccc(F)n1 795008089 VFCICZNUHZLCTB-UHFFFAOYSA-N 297.337 3.518 30 20 CHED Cc1nc(C(C)C)oc1C(=O)O[C@H](C)c1cccc(C#N)c1 796194249 KPJJZAKAZNXYGU-GFCCVEGCSA-N 298.342 3.896 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(C#N)cc1C 796473560 JQZXNGYCNYTIHA-UHFFFAOYSA-N 257.333 3.512 30 20 CHED C=CCC(C)(C)C(=O)O[C@H](C)c1ccc(C#N)cc1 796473975 NIIOMFULSCVUJI-GFCCVEGCSA-N 257.333 3.765 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](CCC=C)c1ccccc1)C(C)C 798544713 RJUCPPJFLQKRRJ-SJORKVTESA-N 284.403 3.651 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1cc(C)c(C)o1 799879987 XRXSJOKSOXWNEG-UHFFFAOYSA-N 279.343 3.703 30 20 CHED C[C@H](C#N)OCCS[C@H](C)c1ccccc1F 801658303 ZKLMXBMQMGJEKU-GHMZBOCLSA-N 253.342 3.549 30 20 CHED Cc1ccc(C#N)c(Oc2ccc(C=O)cc2Cl)n1 804386954 KIUIDRLDXUIUBI-UHFFFAOYSA-N 272.691 3.520 30 20 CHED N#Cc1sc(Oc2cccnc2Cl)nc1Cl 804464172 PUTWKUZHCBSNOM-UHFFFAOYSA-N 272.116 3.509 30 20 CHED C#C[C@H](Nc1cccc(C#N)n1)c1ccc(Cl)cc1F 804808048 MNZJARJRVDXSHZ-AWEZNQCLSA-N 285.709 3.532 30 20 CHED CC(C)CC1CCN(C(=O)CCCCCC#N)CC1 805190849 MOIKDVHHSROQGJ-UHFFFAOYSA-N 264.413 3.745 30 20 CHED Cc1cc(C(=O)/C=C/C=C\c2ccc(F)cc2F)no1 806556133 NRCDBTFUBFDDID-VOERYJCWSA-N 275.254 3.714 30 20 CHED Cc1cc(/C=C\C(=O)c2ccnc(O)c2)ccc1Cl 806556743 ZABUOFJAILVXFN-HYXAFXHYSA-N 273.719 3.645 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)cc2)c(C)c1OC 806569754 ZJXKZKGZKFDRIA-POHAHGRESA-N 298.338 3.614 30 20 CHED N#Cc1nc(F)ccc1OCc1ccc(Cl)c(Cl)c1 808044698 DRHGBWAOYZYPJC-UHFFFAOYSA-N 297.116 3.978 30 20 CHED O=C(/C=C/c1cnccn1)c1cccc(Cl)c1Cl 809153934 ITOCMHFAXFOWFD-SNAWJCMRSA-N 279.126 3.680 30 20 CHED O=C(/C=C\c1cnccn1)c1ccc2c3c(cccc13)CC2 809155258 SIAYTUGKPNUQMA-CLFYSBASSA-N 286.334 3.625 30 20 CHED C#Cc1ccc(CNc2cc(-c3nnco3)ccc2C)cc1 809598525 DCOISPCSQKALAW-UHFFFAOYSA-N 289.338 3.638 30 20 CHED C#C[C@@H](C)NCc1cccc(OCc2ccccc2F)c1 809684027 XXZLSDYJKDPENQ-CQSZACIVSA-N 283.346 3.516 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)n1)c1cccc(Cl)c1 810551280 RONINUYEGXHEHC-JTQLQIEISA-N 286.718 3.525 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H]1CCCCCC(=O)C1 811383355 DAZSRDULACBYGO-AWEZNQCLSA-N 293.407 3.789 30 20 CHED CC[C@H](C)NN=Cc1ncc(-c2ccccc2)s1 811649200 DXVIGFIDGWURDC-NSHDSACASA-N 259.378 3.532 30 20 CHED CC(C)c1ncc(/C=C2\Cc3ccc(C#N)cc3C2=O)s1 811693865 LUMCCPQVJMKDOD-NTUHNPAUSA-N 294.379 3.961 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 812006964 GYTDDQVLXPJTKI-HUUCEWRRSA-N 290.382 3.624 30 20 CHED Cc1nc(C)c2c(C)c(C=NOC3CCC3)sc2n1 812236525 OOORXDHAXNNUBP-UHFFFAOYSA-N 275.377 3.520 30 20 CHED CC(C)OCCON=C1C[C@@H](Oc2ccccc2)C1(C)C 812239629 YHHLTOUGPBPICS-MRXNPFEDSA-N 291.391 3.662 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)OCc1ccccc1C(C)(C)C#N 812636140 KOSWICDMFAGYKC-UKRRQHHQSA-N 285.387 3.967 30 20 CHED CC[C@@H](C=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 814805997 MTACYHRUESRSKD-LBPRGKRZSA-N 284.319 3.581 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccc(C)nc1C 814875364 DLSHYIPGJBNFEP-UHFFFAOYSA-N 287.794 3.866 30 20 CHED CC(=NNC1CCCCC1)[C@H](C)CCCCC(=O)O 814909308 KGTROSMJCKORMP-GFCCVEGCSA-N 268.401 3.566 30 20 CHED CCCC(=NN[C@H](C)COc1ccccc1)c1ccccn1 814935943 UAHJYKNGRZJLMI-OAHLLOKOSA-N 297.402 3.643 30 20 CHED Fc1cccc(C=NNc2nnc(-c3ccccc3)s2)c1 814947283 JRWGUTSALWHKJG-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C=CCC(F)(F)C(=O)N(CC)c1cc(C)ccc1C 815074902 IJCPFKLZTRGGJU-UHFFFAOYSA-N 267.319 3.868 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 821843853 HWANAPBPGQAYCV-BPUTZDHNSA-N 287.403 3.660 30 20 CHED C#Cc1cccc(N(C(=O)C2CC3(CC3)C2)C(C)C)c1 827630001 SLPITUCTRUDCCQ-UHFFFAOYSA-N 267.372 3.600 30 20 CHED C=CCC1(C(=O)NCc2cccc3ncccc23)CCCC1 834663690 SAWYIKPSGMCLKR-UHFFFAOYSA-N 294.398 3.988 30 20 CHED CN(CCCC=NNc1ccccc1)C(=O)OC(C)(C)C 834914196 MLQUIKIFBMLBRR-UHFFFAOYSA-N 291.395 3.731 30 20 CHED C#CC[C@H](Cc1ccccc1)OC(=O)CC1CC(F)(F)C1 835403244 HBMXATAMNKVTEV-OAHLLOKOSA-N 292.325 3.600 30 20 CHED CCCCCCCCNC(=O)NCc1ccnc(C)c1 836375141 WGRUUUZZBHWXOA-UHFFFAOYSA-N 277.412 3.550 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2ccc[nH]2)CCCCC1 838529878 XIHWMEXHXILMDI-CYBMUJFWSA-N 275.396 3.654 30 20 CHED C#CCCCSCc1cnc2c(cnn2C(C)C)c1 842177786 JSLWXDYWGUZXOD-UHFFFAOYSA-N 273.405 3.659 30 20 CHED C#C[C@@H](OC(=O)COC(C)(C)C)c1ccc(Cl)cc1F 842352823 GUDXRDPQTIKWFA-CYBMUJFWSA-N 298.741 3.512 30 20 CHED CCCC(C)(C)C(=O)Nc1ccccc1O[C@H](C)C#N 844475754 XRRYSACGLAEOMG-GFCCVEGCSA-N 274.364 3.742 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1C(C)C 847024463 FYIRIHJXZMOHFH-RHSMWYFYSA-N 287.403 3.521 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1(C(F)(F)F)CCC1 851207039 ZTDQPSJGOGZOGJ-VIFPVBQESA-N 277.286 3.591 30 20 CHED C=C[C@@H](OC(=O)[C@@H](C)c1c(C)noc1C)c1ccccc1 851452007 GGXIXYOSGLEQIN-XHDPSFHLSA-N 285.343 3.865 30 20 CHED CC(C)c1ncc(C=NNc2ccnc(Cl)c2)s1 853395149 MNIJWGYFZGBPHL-UHFFFAOYSA-N 280.784 3.761 30 20 CHED CCc1nn(C)c(Cl)c1C=NNc1ccc(C)c(F)c1 853438853 QFERZIUHQMXXIA-UHFFFAOYSA-N 294.761 3.529 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(F)cc2)C1 855439273 YQMRTVHIIYYWTB-GOEBONIOSA-N 289.394 3.819 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C(/C)c1cccs1 857196236 OLSVISFSPWWPCC-HHQWOOOKSA-N 261.390 3.719 30 20 CHED CCCCCCCNC(=O)NCc1cc(COC)cs1 858114445 JPLCXFOZFBMDTP-UHFFFAOYSA-N 298.452 3.664 30 20 CHED C#CCCCCC(=O)N[C@H]1CCc2ccc(Cl)cc21 863637659 PSDYZKLRXWLJFN-HNNXBMFYSA-N 275.779 3.637 30 20 CHED C=CCC1(O)CCN(C/C=C/c2ccc(Cl)cc2)CC1 886776464 HGPPHUGABCWING-ONEGZZNKSA-N 291.822 3.756 30 20 CHED C=CCC[C@H](C(=O)NC/C=C/Cl)c1ccccc1 891205081 PCCZFGDOZFWFQH-OIOXUXFSSA-N 263.768 3.605 30 20 CHED N#Cc1cc(N2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])s1 891658805 DBNVMIQXOHIDHL-ZDUSSCGKSA-N 299.355 3.869 30 20 CHED Cc1cc(C#N)nc(N2CCC[C@@H]2c2ccsc2)c1 891842120 IOYWZPICNYQBBZ-CQSZACIVSA-N 269.373 3.665 30 20 CHED C=C1CCC(c2nc(-c3cc(C)ccn3)no2)CC1 896005591 GVUFDIFPDUESGV-UHFFFAOYSA-N 255.321 3.654 30 20 CHED C=C1CCC(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)CC1 897994002 WFXNYHTXKOYEQZ-LBPRGKRZSA-N 289.341 3.924 30 20 CHED CO[C@@](C)(C=NNc1ccc(F)cc1Cl)C1CC1 901317248 JAWWDLCGEXOTKW-ZDUSSCGKSA-N 270.735 3.692 30 20 CHED CCCCOc1cccc(NCc2cc(C#N)ccn2)c1 901377304 XMQQVJWTTKXDFW-UHFFFAOYSA-N 281.359 3.744 30 20 CHED Cc1ccc(C(=O)/C=C/c2cncn2C(C)C)cc1 901416642 YCVNCACRPIQKBQ-CMDGGOBGSA-N 254.333 3.669 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1ccc2c(c1)CCCO2 903100817 ZGGMFMOCQXTRJA-OAHLLOKOSA-N 272.392 3.602 30 20 CHED N#CC1(CCCCOC(=O)c2cc3cccnc3[nH]2)CCC1 909392686 RHQNZKOBWZKUTQ-UHFFFAOYSA-N 297.358 3.584 30 20 CHED Clc1cncc(NN=Cc2ccc3ccccc3c2)n1 914557302 PQYRTCLHHVFISH-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 915339841 MEXWVIMRCSGZIL-QEWYBTABSA-N 282.387 3.614 30 20 CHED C=C(Cl)COC(=O)[C@H](C)Oc1cccc(C(C)C)c1 917310319 RIKVGGOZMUSERM-LBPRGKRZSA-N 282.767 3.873 30 20 CHED CCCCCCCCOC(=O)c1cn2ccccc2n1 918811410 OZIUIQMGMHKMQP-UHFFFAOYSA-N 274.364 3.852 30 20 CHED C#CCN(CC)C(=O)NC1CCC(C(C)(C)CC)CC1 919901008 XCORUQMGMRKJGL-UHFFFAOYSA-N 278.440 3.646 30 20 CHED COc1ccc(O)c(/C=N\CCc2ccc(Cl)cc2)c1 920943146 OZUHVDBGWMVVSM-WQRHYEAKSA-N 289.762 3.716 30 20 CHED C[C@H]1CCCCN1CCCCN[C@H](C)CC(C)(C)C#N 924687087 NSRAGTMURBPIFC-CVEARBPZSA-N 279.472 3.559 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)[C@H]1OCCc2sccc21 926471627 AMZDUYZOKBJGJA-LALPHHSUSA-N 292.448 3.668 30 20 CHED CC[C@H](N[C@H](c1cnn(C)c1)C(C)C)c1ccc(C#N)cc1 927071745 UKLWWDAYMLPOQX-ROUUACIJSA-N 296.418 3.730 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](c1ccccc1)c1ccccn1 929775112 UDXXEPWKHMURGW-BEFAXECRSA-N 294.398 3.890 30 20 CHED N#C[C@H]1CCCN([C@H]2CCc3c(Cl)cccc32)C1 932153140 VYXHJYRVBSFKBV-ABAIWWIYSA-N 260.768 3.563 30 20 CHED Oc1ccccc1/C=N/Cc1ccc2c(c1)CCC2 1115852208 WTTVRRYSFQRFBI-LDADJPATSA-N 251.329 3.500 30 20 CHED CCCCCCC[C@@H](C)CNCc1cc(C)[nH]n1 1116017644 SQBJNWRLHFCBER-CYBMUJFWSA-N 251.418 3.804 30 20 CHED CCC[C@H](C)[C@H]1CCCN1c1cccc(CC#N)n1 1116636607 QWNVOCKVUTULGO-DZGCQCFKSA-N 257.381 3.553 30 20 CHED CN(Cc1ccc(Cl)s1)C(=O)c1csc(C#N)c1 1124100789 TVSKQWDPWAETAH-UHFFFAOYSA-N 296.804 3.607 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2F)C[C@H]1C 1129715847 RSYDCPLXYLRGKK-WZRBSPASSA-N 274.339 3.708 30 20 CHED CCO[C@@H]1C[C@@H](NCCC2(C#N)CCCCC2)C12CCC2 1194447712 XHHZYEQOVPMQCH-HZPDHXFCSA-N 290.451 3.788 30 20 CHED CN(Cc1cccc(C#N)n1)C1CCC(C(C)(C)C)CC1 1232925745 MZLKYLCGNYKAFV-UHFFFAOYSA-N 285.435 3.990 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc([C@H](C)CC)cc1 1253563035 JVHJNMSJYWLFQL-CQSZACIVSA-N 269.388 3.686 30 20 CHED Cc1cc(NC(=O)c2cccc(C(C)C)c2)ncc1C#N 1277610120 KTQVJKLLLJJDST-UHFFFAOYSA-N 279.343 3.637 30 20 CHED CCCC[C@H](C)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1300272576 XDFQZLPYGFYKBL-JTQLQIEISA-N 284.363 3.508 30 20 CHED CCC1(CC)[C@@H](Nc2cccc(C#N)c2)C[C@H]1OC 1308658046 YHDFHULACPBZOY-LSDHHAIUSA-N 258.365 3.564 30 20 CHED CN(C(=O)CC#Cc1ccccc1)C1CCC(C)(C)CC1 1319218805 PYJMXRAGGAJONP-UHFFFAOYSA-N 283.415 3.855 30 20 CHED CN(C)c1cccc(Cl)c1CN1CCC(CC#N)CC1 1320092176 DLSGSACCSRARDB-UHFFFAOYSA-N 291.826 3.532 30 20 CHED Cc1cc(C)c(C(=O)OCc2ccc(C#N)cc2Cl)[nH]1 1321646351 YRYCHSKFRXREIM-UHFFFAOYSA-N 288.734 3.514 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)CC#Cc1ccccc1 1323872167 JHMMAONOPWWYFZ-INIZCTEOSA-N 289.378 3.574 30 20 CHED N#CCCCCCC(=O)N1CCC(Nc2ccccc2)CC1 1324078550 SLKBMEAXAXGBST-UHFFFAOYSA-N 299.418 3.564 30 20 CHED CC[C@H]1c2ccccc2CCN1C(=O)c1csc(C#N)c1 1324459379 TXSFTDAQBBNEMF-INIZCTEOSA-N 296.395 3.769 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](OC)[C@H](C)C1 1324536938 QPPQQYPFRUJCKQ-HUUCEWRRSA-N 269.429 3.620 30 20 CHED N#Cc1cc(C(=O)Nc2nc(C3CCC3)cs2)cs1 1324731067 FMJMGNJDPASDGC-UHFFFAOYSA-N 289.385 3.596 30 20 CHED Cc1cccnc1CNc1ccc(OC(C)C)c(C#N)c1 1325156618 GKEFOKDLPQSYQM-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC[C@H](C)c1nnc(-c2cc(-c3cccc(C#N)c3)no2)o1 1329094897 NPTVQASCLRIZCD-JTQLQIEISA-N 294.314 3.777 30 20 CHED C=C(C)CCC(=O)N(CCC#N)CC(CC)CC 1335788389 GJVRLRIAJGZNIY-UHFFFAOYSA-N 250.386 3.521 30 20 CHED CC(C)N(C(=O)CC#Cc1ccccc1)C1CCCCC1 1336412921 HZMFCXOWIZKIKL-UHFFFAOYSA-N 283.415 3.998 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 1336496116 JYTFOURWKUXEGY-UKRRQHHQSA-N 289.423 3.560 30 20 CHED C[C@H](CCC#N)CNCc1cccc(C(F)F)c1 1336754272 HKPALTBNUORDIM-LLVKDONJSA-N 252.308 3.654 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(C)cnc1Br 1340810893 UAKRTLJGSWAEID-SNVBAGLBSA-N 297.196 3.693 30 20 CHED C#C[C@H](OC(=O)c1[nH]c2ccc(C)cc2c1Cl)C1CC1 1342665379 XFHHTUFMGCNKJQ-ZDUSSCGKSA-N 287.746 3.698 30 20 CHED COc1cc2ccccc2cc1C(=O)O[C@H]1CC[C@H](C#N)C1 1344016370 FENXMEJQWVNWFQ-WFASDCNBSA-N 295.338 3.697 30 20 CHED C=C(CC)C(=O)Nc1cccc(CN2CCCCC2)c1 1345612751 RMODQMRDKJMJLG-UHFFFAOYSA-N 272.392 3.577 30 20 CHED Cc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 1348987839 USDYUVAGKLPIOZ-CQSZACIVSA-N 278.355 3.684 30 20 CHED C=C(CC(C)C)C(=O)N1CCCO[C@@H](c2ccccc2)C1 1351167521 ZCGRPYMUEOQCAC-QGZVFWFLSA-N 287.403 3.579 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)c1cc(C#N)ccc1F 1353385285 UHEOFGVBJUWZDE-LBPRGKRZSA-N 282.318 3.531 30 20 CHED CC(C)CC(CC(C)C)NC(=O)c1ccsc1C#N 1359903444 YQPLRGZIWOIYNC-UHFFFAOYSA-N 278.421 3.810 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1ccc(F)c(C#N)c1 1435013531 FLUDBCPRFLUXNQ-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1c1ccnc(C#N)c1 1458303409 DESBWKOPHDUZLH-GOSISDBHSA-N 277.371 3.555 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](Nc2cc(C#N)ncn2)C1 1472804929 RCFUAZQFINPWCP-CWRNSKLLSA-N 292.386 3.733 30 20 CHED C#CCCCCCOC(=O)c1oc(C2CC2)nc1C(F)F 1525168318 ZFCRDJMASDQXNQ-UHFFFAOYSA-N 297.301 3.840 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H](C)c1ccc(Cl)cn1 1528143651 AEBXVNSLVZWFCP-NSHDSACASA-N 266.772 3.515 30 20 CHED CCC(C#N)(CC)C(=O)NC(CC(C)C)CC(C)C 1528661097 KKXZYVFOBKYSJU-UHFFFAOYSA-N 266.429 3.893 30 20 CHED N#Cc1cc(=N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc[nH]1 1559212576 OYIALORVMCPOHJ-ZFWWWQNUSA-N 297.789 3.777 30 20 CHED CCCCCCCCN1CCc2ccc(-c3nn[nH]n3)cc21 1577506092 QZPRAJTXMRSZFJ-UHFFFAOYSA-N 299.422 3.590 30 20 CHED C=C(C)C[C@H](NCc1ccc(C2CC2)c(C2CC2)c1)C(=O)O 1588554201 ZQJDLGSONHOWJN-SFHVURJKSA-N 299.414 3.950 30 20 CHED C=CC[C@H](C(=O)Nc1cccc(C(=O)O)c1)c1ccccc1 1588720983 KIEXSUPNGPIIOE-INIZCTEOSA-N 295.338 3.683 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(CC)cc1C(=O)O 1588737296 IDCMIWJGIKPCGE-UHFFFAOYSA-N 287.359 3.654 30 20 CHED Cc1oc(C=NNc2ccc(Cl)c(F)c2)cc1C(=O)O 1600838752 YVEMPMCPQXWRLN-UHFFFAOYSA-N 296.685 3.525 30 20 CHED O=C(O)/C=C/c1ccc(/C=C/C(=O)C2CCCCC2)o1 1601877712 TZJACFYILUGDSU-GFULKKFKSA-N 274.316 3.540 30 20 CHED CC[C@@]1(C)CCCN(CCc2ccc(C#N)cc2)C1 1615648942 JQJRBZGNSDIIRF-KRWDZBQOSA-N 256.393 3.613 30 20 CHED Cc1ccc2[nH]cc(CCNc3ncc(C#N)cc3F)c2c1 1640525107 HPQRBIAOJLGGJT-UHFFFAOYSA-N 294.333 3.537 30 20 CHED Cc1ccc([C@@H](C)Nc2ncc(C#N)cc2F)s1 1642139976 DLFBMDGMDRNUJO-SECBINFHSA-N 261.325 3.635 30 20 CHED Cc1cc(NC[C@@H](C)c2ccc(F)cc2F)ncc1C#N 1642322786 SPSNVQAUZYEYBM-LLVKDONJSA-N 287.313 3.756 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)[C@@H]1CCCC[C@@H]1C 1642722598 RBZLYCHURKRJOR-WMLDXEAASA-N 286.419 3.967 30 20 CHED C=C(Cl)CN1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C 1643667252 VVEUPAPTSSWYSH-XHSDSOJGSA-N 292.854 3.722 30 20 CHED CC[C@H](c1ccccc1OC)N(C)c1cc(C)c(C#N)cn1 1651906930 OALBQECMTVKCBU-MRXNPFEDSA-N 295.386 3.858 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)s2)c(F)c1 1652649598 WHOBVCPPABFDDF-UHFFFAOYSA-N 275.304 3.540 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2ccc(F)c(C)c2)c1 1672775907 TWAUYOYPZJRXEI-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CCCC(C)(C)C1 1690342152 BWBNALBDFFBYBH-UHFFFAOYSA-N 294.830 3.534 30 20 CHED Cc1cc2cccc(C=NNc3cccc(C(=O)O)c3)c2o1 1776038304 CMEHSAJJIRBIEE-UHFFFAOYSA-N 294.310 3.885 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@@H](C)c2cccc(C)c2)C1 1776154207 ZBQRMYZGJXEXJG-MAUKXSAKSA-N 287.403 3.799 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C(=O)O)cc1F 1776180786 CTJIHFINJVBWGT-UHFFFAOYSA-N 299.345 3.712 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cc(C(=O)O)ccc1F 1777465292 KNFZEYVGMOAFKT-VQHVLOKHSA-N 284.286 3.728 30 20 CHED Cc1sccc1/C=C/C(=O)c1csc(C(=O)O)c1 1777560597 ZWDDGRZTYWBUOK-NSCUHMNNSA-N 278.354 3.712 30 20 CHED N#Cc1sc(N2CCC[C@@H]3CCCC[C@@H]32)nc1Cl 311143480 LOTZQFRIDYYVLH-UWVGGRQHSA-N 281.812 3.827 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1 177291948 HYBGJNWNXKEHDB-UHFFFAOYSA-N 298.386 3.636 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)Nc1ccc(C#N)cc1)C1CC1 109846896 BDNXNPVFHJNVLE-OLZOCXBDSA-N 285.391 3.989 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccccc1Nc1ccccc1 53077218 XLZGEBFTTCXLKB-CQSZACIVSA-N 293.370 3.662 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C)c(OC)c2)c1 103028227 YVYZFRZBNWOCHC-UHFFFAOYSA-N 293.366 3.652 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cc1 112774860 GETIMJLEERPINM-HUUCEWRRSA-N 298.292 3.579 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2ccccc2)cc1 174285952 UHZTVJRELBPFTP-CYBMUJFWSA-N 252.317 3.590 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(SC)o2)c1 112245383 RZOVSQNANUXYDE-UHFFFAOYSA-N 285.368 3.650 30 20 CHED CC(C)COc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 23125235 VKZZATKYUNWJMO-UHFFFAOYSA-N 294.354 3.845 30 20 CHED N#Cc1ccc(C(=O)N2CCC3(CCCCC3)CC2)cc1 61559122 DBJPUGHCTLDCCX-UHFFFAOYSA-N 282.387 3.745 30 20 CHED N#CCC1(COC(=O)CCc2ccc(Cl)s2)CC1 174741716 IUEAJUOVLXSPQX-UHFFFAOYSA-N 283.780 3.571 30 20 CHED C=CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1356509438 RBUCQDUNZHDFJK-UHFFFAOYSA-N 292.338 3.570 30 20 CHED C[C@@H](Nc1nc2ccccn2c1C#N)c1ccc(F)cc1F 302121936 YGQGFVKODSTNBB-SNVBAGLBSA-N 298.296 3.657 30 20 CHED Cc1noc(C)c1[C@H](C)C(=O)O[C@H](C)c1ccc(C#N)cc1 175787204 CCFLNIJBGNGQOD-CMPLNLGQSA-N 298.342 3.571 30 20 CHED CN(C)[C@@H](CNc1cc(Cl)ccc1C#N)c1ccccc1 301275688 LYYXACVJISMKMN-KRWDZBQOSA-N 299.805 3.926 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)cc1F 117004485 KRZPZHBQUVWDJB-LLVKDONJSA-N 280.343 3.699 30 20 CHED CCN(CC)C(=S)SCc1ccc(F)cc1C#N 170852325 HSVSOLGQAJYPGY-UHFFFAOYSA-N 282.409 3.557 30 20 CHED C=CCCCC(=O)OCc1nc2ccccc2n1C(F)F 174914462 ZJOLHWNWWMPPCO-UHFFFAOYSA-N 294.301 3.831 30 20 CHED CCc1nc2c(s1)[C@H](N(C)CCC(C)(C)C#N)CCC2 119985477 NAQGCLYXDCJAHR-CYBMUJFWSA-N 291.464 3.955 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccccc2)c1 172813785 TYWBEUPPIPEJCV-ZHACJKMWSA-N 252.313 3.729 30 20 CHED CCC(CC)CN(CCC#N)Cc1csc(C)n1 173550938 ULZWCAOZBLVTPP-UHFFFAOYSA-N 265.426 3.603 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccc(-c2ccc(F)cc2)s1 64318541 PQGCPUFSRXFESV-JTQLQIEISA-N 288.347 3.586 30 20 CHED C=CCOc1ccc(CNc2cc(C)ccn2)cc1 121507134 SMNNDOAOBOEBMO-UHFFFAOYSA-N 254.333 3.567 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 182449571 GETWTPFYIWGHMT-SMDDNHRTSA-N 287.325 3.683 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](CC)c1nc(C)cs1 188558695 ONOXSSIVQUPBFQ-RISCZKNCSA-N 266.410 3.621 30 20 CHED C=CCCS(=O)(=O)N(C)[C@@H](c1ccccc1C)C(C)C 120563619 LMSDQDAVYCCXCD-MRXNPFEDSA-N 295.448 3.530 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)c1ccccc1F 189939900 RTOSYFFHQSSAEH-ZDUSSCGKSA-N 290.382 3.860 30 20 CHED Cc1ccc(C)c2[nH]c(-c3ccc(C#N)cc3F)nc12 430944963 VHPFQWGGLWTNHJ-UHFFFAOYSA-N 265.291 3.858 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(C)cc2cccnc12 123209900 NASGBVGFMNCNCQ-UHFFFAOYSA-N 281.359 3.749 30 20 CHED C=CCCSc1nnc(CCC2CCCC2)[nH]1 128738576 NNVIJNNZSIDMHB-UHFFFAOYSA-N 251.399 3.596 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)Nc1cccc(C#N)c1 36173231 OIWMVSANUJDVDN-GFCCVEGCSA-N 282.318 3.515 30 20 CHED CCC(CC)CC(=O)Nc1cc(C)c(N(C)C)cc1C#N 415691664 LIKRNXZNLKWJNP-UHFFFAOYSA-N 287.407 3.698 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2ccccc2F)s1 126762568 CTIJLXNDLNRZCO-UHFFFAOYSA-N 288.347 3.502 30 20 CHED C#CCCCCC(=O)Nc1sc(C)c(CC)c1C#N 121077089 WWMGRFQTYVXUSK-UHFFFAOYSA-N 274.389 3.623 30 20 CHED C=CCc1cc(CN(C)C2CCCCC2)cc(OC)c1O 505356037 QAHXYAUPUGKIDO-UHFFFAOYSA-N 289.419 3.894 30 20 CHED Cc1cc(CN(C)Cc2ccccc2C)ccc1C#N 486789802 CNKCKERISKGJOI-UHFFFAOYSA-N 264.372 3.807 30 20 CHED N#CC1(CNc2ccnc3c(Cl)cccc23)CCC1 419022237 NGIODNRVEJTFKE-UHFFFAOYSA-N 271.751 3.994 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(OC)cc(OC)c1Cl 413926820 ADDATGVTWLLTBD-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C=CCCOC(=O)c1scnc1C1CCCC1 183509203 SSOADNCOMGNQIB-UHFFFAOYSA-N 251.351 3.534 30 20 CHED Cc1ccc(CCN[C@@H](C)c2ccc(C#N)cc2)cc1 180129998 FOUWQLXWCQLBNW-HNNXBMFYSA-N 264.372 3.760 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@H](C)CC(F)(F)F 413444504 WBDSGDLMEGIFDJ-GHMZBOCLSA-N 280.334 3.619 30 20 CHED C=CCC1(C(=O)N2CC[C@H](OC)C[C@@H]2C)CCCCC1 410826432 YGKSAPLJOBROQI-GJZGRUSLSA-N 279.424 3.539 30 20 CHED CCCCCCCCC(=O)NC1C[C@@H](C)O[C@H](C)C1 123088485 PFWZNOOLJYXBJQ-ZIAGYGMSSA-N 269.429 3.809 30 20 CHED N#CCSCCCNC1(c2ccc(Cl)cc2)CCC1 72517724 GHVSEQZBWDMFOF-UHFFFAOYSA-N 294.851 3.956 30 20 CHED C=CCCCCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] 314132050 IOYKPECHCDVGEC-UHFFFAOYSA-N 294.326 3.600 30 20 CHED C=CCC[C@@H](C(=O)N(C)c1ncccc1F)c1ccccc1 188727366 PAMAJNHPECSCNG-OAHLLOKOSA-N 298.361 3.934 30 20 CHED C=C(C)CN(C)C(=O)NCC(C)(C)c1ccc(Cl)cc1 180618908 OCGRSPDUWNMZPU-UHFFFAOYSA-N 294.826 3.835 30 20 CHED N#CCC[C@@H](C#N)CNC(c1ccccc1)c1ccccc1 32514664 YZHPCCIRTVPVGH-INIZCTEOSA-N 289.382 3.809 30 20 CHED CC1(C)/C(=C\c2cccc3nccn23)C(=O)c2ccccc21 180312780 XDMAQWRUIWLEKE-VBKFSLOCSA-N 288.350 3.892 30 20 CHED CCN(CC)CCCNc1ccc(C#N)c(C(F)(F)F)c1 37306386 SPITUIRUHYUNFS-UHFFFAOYSA-N 299.340 3.721 30 20 CHED CCCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 76097483 IQHMXRCYUFORTQ-UHFFFAOYSA-N 278.355 3.618 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 186021071 DKTRRUBMAWKMTN-UHFFFAOYSA-N 295.386 3.818 30 20 CHED N#CCc1cccc(NC[C@H]2C[C@@H]2c2ccccc2)c1 449698243 MXJJOJPKDRFALV-SJLPKXTDSA-N 262.356 3.968 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2F)C[C@@H]1c1ccccc1 413198207 HPFGDAIAUSMHDB-OAHLLOKOSA-N 295.361 3.722 30 20 CHED CC(C)(C)OC(=O)CCCSc1cccc(C#N)c1 182076124 SJSBOFPGDQGMEF-UHFFFAOYSA-N 277.389 3.772 30 20 CHED N#Cc1ccc(F)cc1CSCC1CC(F)(F)C1 419518928 ZOSLHEKFIAEMQX-UHFFFAOYSA-N 271.307 3.976 30 20 CHED C=CCC1(C(=O)NCc2ccc(Cl)s2)CCC1 188256684 BCCUTCCNSPVBEL-UHFFFAOYSA-N 269.797 3.764 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 416113510 ZCHISSUSCNOVJH-GOSISDBHSA-N 290.366 3.674 30 20 CHED N#C[C@H]1CCC[C@H](NCCSCc2ccccc2F)C1 185752808 WUTUAJMLYSUEES-ZFWWWQNUSA-N 292.423 3.731 30 20 CHED C#CCC(C)(C)C(=O)OCc1cc2ccccc2o1 185078625 DNVBXQULKFNOJO-UHFFFAOYSA-N 256.301 3.526 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(C(F)F)c1 181675628 GJEREDBQRDWUDF-UHFFFAOYSA-N 254.280 3.664 30 20 CHED CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C 412022732 AYUAIWHYPVXFAY-XHSDSOJGSA-N 284.403 3.603 30 20 CHED N#CCC[C@@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 130605689 QKZYTUWEWWJLSU-DZJNRPSUSA-N 266.388 3.833 30 20 CHED CCN(C(=O)c1[nH]c(C)cc1C)[C@H](C)c1ccc(C#N)cc1 131307193 VUCYIADIERTBDO-CQSZACIVSA-N 295.386 3.727 30 20 CHED CCN(CC)[C@@H](CNc1ccc(C#N)cc1)CC(C)C 507141571 BYJAZVLDNLTLQP-QGZVFWFLSA-N 273.424 3.727 30 20 CHED C=CCCC(=O)Nc1c(C)cc(C)cc1Br 159991315 RKNLKPGLNQOMSL-UHFFFAOYSA-N 282.181 3.971 30 20 CHED C[C@H](SCCC#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1 413013955 PKQYYTGALKWSOW-QWRGUYRKSA-N 296.823 3.553 30 20 CHED CCc1ccc(CCC(=O)N(CC#N)c2ccccc2)cc1 194666444 VOZMVFBUUBKPFP-UHFFFAOYSA-N 292.382 3.738 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(C#N)cc1 194730785 IHRVJKPQCBSBEM-DLBZAZTESA-N 298.430 3.822 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C 501796294 PJUVBUJZVXFNRH-RYUDHWBXSA-N 294.345 3.638 30 20 CHED N#Cc1cccc(CNc2c(F)cccc2Cl)c1 83442325 NNAKYOWSSHIGEB-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C#CCCCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 192087894 ZYWAGJKNSQVRTG-LJQANCHMSA-N 291.394 3.890 30 20 CHED C=C(C)CNC(=O)c1cccc(Oc2ccccc2)c1 196696938 UZSXUNIILLSGIA-UHFFFAOYSA-N 267.328 3.785 30 20 CHED CC(C)c1ccccc1NC(=O)N(C)[C@@H](C)CC#N 86280196 HDYKVVNTULPTMI-LBPRGKRZSA-N 259.353 3.576 30 20 CHED Cc1nc(CC/N=C(/O)[C@@H]2CCCc3ccccc32)c(C)o1 328836111 MROCCKXYYHKJAN-MRXNPFEDSA-N 298.386 3.911 30 20 CHED C#CCCCC(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 191956296 KINGRQDSZUUJGG-UHFFFAOYSA-N 293.326 3.565 30 20 CHED CC[C@H](C#N)NC(=O)c1ccc(C2CCCCC2)cc1 195526012 VNZOAWSAIUOZSO-MRXNPFEDSA-N 270.376 3.766 30 20 CHED C=C(C)CN(CCc1ccc(C)cc1)Cc1ccc(CO)o1 512473333 CIPXOFWRYLILHQ-UHFFFAOYSA-N 299.414 3.701 30 20 CHED CC(C)c1cccc(Nc2nccc(C#N)c2[N+](=O)[O-])c1 132570165 DGYSPBHIWUZHNG-UHFFFAOYSA-N 282.303 3.728 30 20 CHED N#Cc1ccc(N2CCC[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] 227311919 JTFUSESGLOSRLW-SWLSCSKDSA-N 285.347 3.625 30 20 CHED CCCCCCCC[S@@](=O)[C@H](C)c1cnccn1 190851997 IPLYHSIGAXNIRB-FZKQIMNGSA-N 268.426 3.647 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccc(C#N)s1 420884139 JJZNICVHGKFVJV-UHFFFAOYSA-N 291.420 3.508 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C#N)cs2)cc1 84169624 YXBRZDWYNAALEC-HNNXBMFYSA-N 296.395 3.906 30 20 CHED C=CCC1(C(=O)Nc2cc(C3CCCC3)nn2C)CCC1 190116810 XHZARGGTJLYCBM-UHFFFAOYSA-N 287.407 3.763 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1 424698970 QSLKHZVLMFSHSO-UHFFFAOYSA-N 299.374 3.840 30 20 CHED C[C@@H](c1ccco1)N(CCOc1cccc(C#N)c1)C1CC1 86234104 FLNRWQQFHKVSRT-AWEZNQCLSA-N 296.370 3.756 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1ccc2c(c1)CCO2 195620289 IPLNTSREGRPNIT-ORCRQEGFSA-N 286.277 3.796 30 20 CHED C=C(CNC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccccc1 512674415 XCWXLRUEJFFXES-YOEHRIQHSA-N 286.419 3.920 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1 86284105 CRVWFZZXMFUEPM-CHWSQXEVSA-N 289.379 3.630 30 20 CHED Cc1cc(NCc2cc(C#N)n(C)c2)ccc1C(F)(F)F 191158653 RQYRBBFXQRWPOG-UHFFFAOYSA-N 293.292 3.836 30 20 CHED CC1CC(C#N)(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)C1 516852071 ZCGLZIGDHPYDMP-CSLYMUCUSA-N 288.435 3.744 30 20 CHED C=CC[C@@H](CC)NC(=O)c1nsc2ccc(C)cc12 512100315 SFGXDLYCAJUJQD-LLVKDONJSA-N 274.389 3.689 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 332673585 FWOCCCYXCVMNDW-YJNKXOJESA-N 276.424 3.647 30 20 CHED Cc1c(/C(O)=N/C[C@@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] 331074500 KRURLBMTDRRVBB-CMPLNLGQSA-N 276.336 3.644 30 20 CHED N#CCc1ccc(CN(C#N)c2ccccc2Cl)cc1 429779190 LIILDMLAGKARJG-UHFFFAOYSA-N 281.746 3.894 30 20 CHED C=CCCCCOc1cccc(NC(=O)C2CC2)c1 516433412 RNJOXZMOBMDECT-UHFFFAOYSA-N 259.349 3.770 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(C)cc1OC 96930510 BDCTVVSZQLITSJ-LUAWRHEFSA-N 282.339 3.908 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2c(s1)CCCCC2 514688622 RASSOGYFJLPDNS-NSHDSACASA-N 263.406 3.711 30 20 CHED C=CC[C@@H](C)[C@H](C)NCC1(CO)CC(c2ccccc2)C1 433092290 OAYVOULJBYOFNS-JLJREYHVSA-N 287.447 3.733 30 20 CHED C=CCC[C@@H](N[C@H]1CCOC2(CCCC2)C1)C1CC1 90527208 YOECRWVRNJUNKZ-JKSUJKDBSA-N 263.425 3.813 30 20 CHED C=CCN(C(=O)c1ccoc1CC)c1ccccc1 430140094 SIXYKVJHLGPDOW-UHFFFAOYSA-N 255.317 3.675 30 20 CHED C[C@@H](CSCCOc1ccc(C#N)cc1)C(F)(F)F 439028743 PABNYQCHHAHTPT-JTQLQIEISA-N 289.322 3.869 30 20 CHED CCC[C@@](C)(O)C/N=C(/O)c1coc(C2CCCCC2)n1 330441504 QTLYZMXUCUJHIT-MRXNPFEDSA-N 294.395 3.578 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCc1ccsc1 436314805 ZIAYRLSPBITJGU-BPUTZDHNSA-N 279.449 3.640 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(CC)s1 90883859 YATFXKFPVWDLOH-LBPRGKRZSA-N 253.411 3.554 30 20 CHED N#CC1(NC(=O)c2cccc3c2CCCC3)CCCCC1 332348926 MUEFWHIETZZQBK-UHFFFAOYSA-N 282.387 3.522 30 20 CHED C=C(C)COCCN[C@H]1CCC[C@@H]1c1ccc(F)cc1 90451455 VHOCFGYEUMDVQX-SJORKVTESA-N 277.383 3.644 30 20 CHED C[C@@H](CC#N)N(C)Cc1cnc(-c2ccsc2)s1 93090760 OOMYNBIPOLSWBU-JTQLQIEISA-N 277.418 3.606 30 20 CHED C=CCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 97489697 PSVCKPNATHGITP-ZDUSSCGKSA-N 299.201 3.582 30 20 CHED N#CCCCOc1cccc(CN2CC(C3CCC3)C2)c1 348706965 IMNKWQHFHYBBFZ-UHFFFAOYSA-N 284.403 3.601 30 20 CHED C=CCCCCCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 248735313 NMZDLACYLKVDEN-WMZOPIPTSA-N 276.468 3.682 30 20 CHED C=C(C)[C@H](N[C@H]1CCN(C)[C@H](C)C1)c1ccc(F)c(F)c1 248543299 CZBVJZVBPVHICV-IFIJOSMWSA-N 294.389 3.654 30 20 CHED C=CCCc1nc(C2(c3cccc(OC)c3)CCC2)no1 347414903 NPJOVFGWFBPHMK-UHFFFAOYSA-N 284.359 3.667 30 20 CHED N#Cc1cccc(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)n1 435583732 HXWNCQZXNUIGKY-FUKZOUPISA-N 285.297 3.590 30 20 CHED CCOc1cccc(CNc2ccc(COC)c(C#N)c2)c1 527760743 ABBINGUMIREGLD-UHFFFAOYSA-N 296.370 3.715 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1CC[C@H](C)C1 345489839 RSAFPICGVXNKTO-GOEBONIOSA-N 278.440 3.991 30 20 CHED N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C(F)(F)F)o1 344309706 NBULWIGAFYWTNC-CYBMUJFWSA-N 298.239 3.684 30 20 CHED N#CCCN(Cc1ccc(C(F)(F)F)s1)CC1CC1 432749799 WFWRGLZFLZGISI-UHFFFAOYSA-N 288.338 3.893 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc(F)cc1Cl 349432482 MCWQBIWNBSRPEL-UHFFFAOYSA-N 296.773 3.881 30 20 CHED C=CCCN(C)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 342740790 XNWFFMFAAGKBJC-CQSZACIVSA-N 285.391 3.922 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(F)c(F)c(F)c1 182652610 PXWNYQIKEJBFBB-SECBINFHSA-N 271.282 3.579 30 20 CHED C=CCCCCCN(CCOC)[C@@H]1CCCSC1 433202047 YSXBZULTQNYEDO-OAHLLOKOSA-N 271.470 3.577 30 20 CHED CCOCCCSc1ccc(C#N)cc1Cl 163321342 IFPFOEGHWDHJIC-UHFFFAOYSA-N 255.770 3.730 30 20 CHED N#CC1(F)CCN(Cc2ccc(C(F)(F)F)s2)CC1 348700021 BMDXWFJFQQQDAT-UHFFFAOYSA-N 292.301 3.595 30 20 CHED CCC[C@@H](C#N)NC(=O)c1oc2c(Cl)cccc2c1C 523283480 LSBXTNVZCWPWPN-JTQLQIEISA-N 290.750 3.817 30 20 CHED N#Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)s1 438024614 RKGSOCWRXVLJFS-UHFFFAOYSA-N 282.368 3.677 30 20 CHED N#CCCCNC1CC(c2ccc(C(F)(F)F)cc2)C1 346322177 HUFXZURFGCJZRD-UHFFFAOYSA-N 282.309 3.845 30 20 CHED C=CCOc1ccc(/C=C\C(=O)c2ccco2)cc1OC 255421080 VAODYXLKUFLMPP-VURMDHGXSA-N 284.311 3.749 30 20 CHED CCC(C#N)(CC)C(=O)[C@H](C#N)c1ccc2ccccc2n1 528915576 UCBGECQFTDTEPL-CQSZACIVSA-N 291.354 3.741 30 20 CHED Fc1ccccc1C=N/N=C(\S)Nc1ccccc1 254633865 QWIPQSKPRJVYFB-UHFFFAOYSA-N 273.336 3.558 30 20 CHED Cc1cc(C)cc(C[S@@](=O)Cc2ccc(CC#N)cc2)c1 342136927 ORSJCAPOJCAKIN-NRFANRHFSA-N 297.423 3.818 30 20 CHED C=CC1CCN([C@@H](C)c2ccc(F)cc2F)CC1 600683434 YGLIEMXUQKJGFH-NSHDSACASA-N 251.320 3.924 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)Cc1ccsc1 543114092 KDUMJVKHKOFXEZ-NSHDSACASA-N 272.373 3.671 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@H](C)CC(C)(C)C 604455685 PBUGSZSMCXTREW-SWLSCSKDSA-N 252.402 3.503 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2c(cnn2C(C)C)c1 605043142 YLXUCQKJMCGGPQ-GFCCVEGCSA-N 286.379 3.703 30 20 CHED Cc1ccc2[nH]c(CN[C@H]3CC[C@@H](CC#N)C3)cc2c1C 449445181 HIIBEJWWYPCGQE-GJZGRUSLSA-N 281.403 3.957 30 20 CHED C=CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 443662501 ZNFPUXYEIIYUPB-UHFFFAOYSA-N 290.410 3.560 30 20 CHED CCN(Cc1ccc(CN(C)C)cc1)C[C@@H](C)CCC#N 602655984 JSNHABFZDADEEG-INIZCTEOSA-N 287.451 3.510 30 20 CHED Cc1ccc(F)cc1NCc1cn2ccccc2c1C#N 446638588 OTACRDLAJYBOBN-UHFFFAOYSA-N 279.318 3.871 30 20 CHED C=C(C)CN(CC)C(=O)CSC/C=C\c1ccccc1 603772444 ODAVRYQMDLQSDH-FLIBITNWSA-N 289.444 3.858 30 20 CHED CC[C@@H](C)c1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)on1 356491395 CLEIJMFKOWXXDU-NEPJUHHUSA-N 297.358 3.551 30 20 CHED C=C(CC)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 538014020 NLJDJROXYSBJIF-UHFFFAOYSA-N 283.158 3.670 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1nc(C3CC3)cs1)CC2 353256254 OSTJPKLCZUORBY-HNNXBMFYSA-N 295.411 3.669 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N(CCC#N)CCC(C)C 448908286 FCRMISCOYWKMDN-LBPRGKRZSA-N 292.345 3.753 30 20 CHED COc1cc(C)ccc1CN1CCCC(C)(C)[C@H]1C#N 449285517 SAYREBMVQQHRKK-MRXNPFEDSA-N 272.392 3.518 30 20 CHED CCC1(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 269853036 YCXLLDXPHFLPLY-UHFFFAOYSA-N 297.383 3.810 30 20 CHED CCN(Cc1cnccc1C)[C@@H](C)c1ccc(C#N)cc1 269566276 KTIGYVREWSXQAM-HNNXBMFYSA-N 279.387 3.845 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)c1nnc(C)s1 449234486 BZVAQTKVVOUJDZ-WDEREUQCSA-N 253.415 3.632 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2cccc(C)c2)C1 617787405 NXJVJJASLLUPOR-QGZVFWFLSA-N 271.404 3.742 30 20 CHED C=C(CC)CN1CCC(Oc2ccc(OC)cc2)CC1 539094877 YYCNPSSVZBZJBL-UHFFFAOYSA-N 275.392 3.505 30 20 CHED COc1cc(CN(C)Cc2ccc(F)c(C)c2)ccc1C#N 443074566 VZZFHDUHBFWDTB-UHFFFAOYSA-N 298.361 3.646 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1NCCCCC(C)(C)C#N 444678958 LJPPXCYWEIFUAK-CVEARBPZSA-N 280.456 3.890 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](CC1CCCC1)C(C)C 537726594 YCSVBPYMCGXEMI-GJZGRUSLSA-N 264.413 3.647 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 618803440 INRMYZWYMKKSRS-AHIWAGSCSA-N 254.377 3.736 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)c1cccc(C#N)c1 362170671 GJTWKBMGAVIYPI-AWEZNQCLSA-N 297.402 3.593 30 20 CHED Cc1cc(C)c(NCCCC(C)(C)C#N)cc1CO 615696366 NFWRLVJAURUMBT-UHFFFAOYSA-N 260.381 3.538 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCSc1ccc(C)cc1 537500514 MPVOHVWLSLSZTO-CQSZACIVSA-N 292.448 3.741 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1 456956368 DAMRHPCBTWIPCS-SFHVURJKSA-N 290.366 3.999 30 20 CHED C=C[C@H](C)NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 362598576 FSZRNVKCGNZFTJ-JTQLQIEISA-N 299.374 3.528 30 20 CHED Cc1ccc2c(c1)[C@H](N=c1c(C#N)c[nH]c3ccccc13)CC2 610277286 NDKGXEPYPIOXOT-LJQANCHMSA-N 299.377 3.936 30 20 CHED CC(C)(C#N)CC(=O)NCCc1c(Cl)cccc1Cl 278348778 ZGQZOALLZNABBT-UHFFFAOYSA-N 299.201 3.592 30 20 CHED C[C@@H](C(=O)NCCCC#N)c1ccc(Cl)c(Cl)c1 273010266 JDKDDHJTPXBRSR-SECBINFHSA-N 285.174 3.517 30 20 CHED C=CCC1(NCc2cnc(C3CC3)nc2)CCCCC1 459573447 QKGDSPHUWUVQHY-UHFFFAOYSA-N 271.408 3.723 30 20 CHED C=CCCSCCOCc1ccc(OC)cc1 610092192 MNQPMCHAPBXEGG-UHFFFAOYSA-N 252.379 3.521 30 20 CHED C[C@H](CCc1ccsc1)NCC(C)(C)CC#N 459727658 HMXKKBPZFCEVQO-GFCCVEGCSA-N 250.411 3.599 30 20 CHED CO[C@H]1C[C@@H](NCc2ccccc2C(C)(C)C#N)C12CCC2 459774935 USXDMBAVUDHFAW-SJORKVTESA-N 298.430 3.535 30 20 CHED N#CC1(COc2ccc(-c3noc(C4CC4)n3)cc2)CCC1 450819295 DLIBJVJBHDLVHJ-UHFFFAOYSA-N 295.342 3.687 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cc2cc(F)ccc2o1 545211576 APUPKHWGCQPLPC-INIZCTEOSA-N 288.322 3.630 30 20 CHED C=CC[C@H]1CCN(Cc2c(C(=O)O)oc3ccccc23)C1 629365948 BBYALGDZLVNOJM-LBPRGKRZSA-N 285.343 3.529 30 20 CHED Cc1cc(CSCCCCC(C)(C)C#N)on1 277910292 OQBGZYDXCMZHOV-UHFFFAOYSA-N 252.383 3.936 30 20 CHED C#CCC1(C(=O)Nc2cscc2C)CCCCC1 276419995 IHPWYHFBWCOVQW-UHFFFAOYSA-N 261.390 3.969 30 20 CHED Cc1ccc(CCC(=O)N(C)c2ccccc2C#N)s1 361933788 FVBABNVSDNRTSU-UHFFFAOYSA-N 284.384 3.524 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC(F)F)c(OC)c1 620265802 KZGJITFZBRNLDA-OAHLLOKOSA-N 299.317 3.837 30 20 CHED C=CC(C)(C)C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 452400750 VUXQRDSTUJLISO-CVEARBPZSA-N 271.404 3.899 30 20 CHED CCC[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 544674971 QYMLZSOIVACBPZ-YOEHRIQHSA-N 299.418 3.983 30 20 CHED N#CC[C@@H](CC(=O)N1CCC2(CCCC2)C1)c1ccccc1 376506272 PFOAOTJJYBITQP-KRWDZBQOSA-N 296.414 3.867 30 20 CHED C=C[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 464759754 YAUBJZGYRHUUMZ-ZOBUZTSGSA-N 286.419 3.786 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 466230945 APBBUGKFARLUEX-JSGCOSHPSA-N 296.292 3.952 30 20 CHED C=CCn1c(SCCC(=C)C)nnc1-c1ccncc1 274732353 KYOBKHLQPMPJMC-UHFFFAOYSA-N 286.404 3.584 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(-c2ncco2)c1 281923334 JZDGEGGUTLJNMQ-CYBMUJFWSA-N 285.347 3.818 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2ccco2)cc1F 287277109 YQFCEIKRDDTGBH-INIZCTEOSA-N 286.306 3.964 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H](c2ccccc2F)C1 281388717 OXWUVJVJNSTOSY-ZIAGYGMSSA-N 290.382 3.679 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1c(F)cc(F)cc1F 281497264 WOMPGLILGWINEI-VIFPVBQESA-N 272.270 3.580 30 20 CHED C=CCCN(C)C(=O)NC1CCC(CCC)CC1 466972625 HSYDMPSHSFSJDL-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](C)C(C)(F)F)c1 559492071 VIIPASQUGWBHHO-NSHDSACASA-N 283.318 3.871 30 20 CHED C=CCC[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccco1 286343020 YYNYPTCNCDYKDP-KGLIPLIRSA-N 263.381 3.834 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(NC(=O)CCC)c1 468110520 PIMSHBYMCSKOHX-KRWDZBQOSA-N 288.391 3.966 30 20 CHED Cc1ccc(CS(=O)(=O)CCC(C)(C)C#N)c(Cl)c1 559973372 CXLQRARCRMVHJJ-UHFFFAOYSA-N 299.823 3.503 30 20 CHED N#Cc1cccc(CNC2CC(c3cc(F)cc(F)c3)C2)c1 558403758 HVMBAEPPKJECCH-UHFFFAOYSA-N 298.336 3.872 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 471711799 ISYITUXRMYLGGO-ZIAGYGMSSA-N 279.330 3.541 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](CC2CC2)C1 559411630 SGRBOMAJISUQRM-XJKSGUPXSA-N 254.377 3.741 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 806140777 MLRHNYKTTMADCZ-OAHLLOKOSA-N 290.366 3.791 30 20 CHED CC[C@@H](C#N)NC(=O)c1oc2c(ccc3ccccc32)c1C 478795003 LUJDRLNVRULVFL-ZDUSSCGKSA-N 292.338 3.926 30 20 CHED CCCC[C@H](SCc1ccc(C#N)c(C)c1)C(=O)OC 475889079 PLHGFQCELWKCBN-HNNXBMFYSA-N 291.416 3.832 30 20 CHED N#Cc1cccc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)O)c1 566495331 ZCJHRHGAWFUMAY-IEBWSBKVSA-N 289.334 3.514 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2ccccc2C1 292895521 UQMRNJRZKJIPLA-UHFFFAOYSA-N 257.377 3.564 30 20 CHED C=CCCCCCCNC(=O)Cc1cn(C)c2ccccc12 805217960 OCWRPBCRMIAIQI-UHFFFAOYSA-N 298.430 3.974 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(OC)ccc1OCC 298673018 MIURIBMLXFWFSL-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(N2CCCCC2)c1 806227442 NCZPOGZYHKFDIO-HNNXBMFYSA-N 299.418 3.600 30 20 CHED C#C[C@@H](C)NCc1cccc(OCc2ccc(F)cc2)c1 809683172 SHMWCXJSOSNUJG-CQSZACIVSA-N 283.346 3.516 30 20 CHED C=C(C)CSCC(=O)N[C@H](c1ccc(C)cc1)C1CC1 477014132 YRKJCGKNZDOAGX-QGZVFWFLSA-N 289.444 3.872 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(OCCC)cc1 569308565 SVPQLRGUOASWRJ-FUHWJXTLSA-N 289.419 3.546 30 20 CHED CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1c(C)noc1C 804578718 JMFGZJQPBZRMQY-MRVPVSSYSA-N 296.783 3.836 30 20 CHED C=CCOCCSCc1ccc(Br)cc1 564739265 XUWYZTUOAKXLJN-UHFFFAOYSA-N 287.222 3.885 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2ccccc2n1CC 488877424 ZKVFABULRIHUAH-HNNXBMFYSA-N 282.387 3.842 30 20 CHED C=CCN(CC=C)C(=O)CCOc1ccc2ccccc2c1 642137324 NJLCZHSDDCONHY-UHFFFAOYSA-N 295.382 3.809 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1F 814190642 IMPXLVWUYSVVHP-YVMONPNESA-N 296.257 3.502 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccc2c(c1)CCCCC2=O 810667132 AOTHBLIJRMJEAU-INIZCTEOSA-N 299.370 3.691 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 819797812 JXTSDVRYJMNQRG-JKSUJKDBSA-N 261.409 3.655 30 20 CHED C=C(C)CN(C)[C@H](C(=O)O)c1ccc(Cl)cc1Cl 652430529 KMBLDQCDCCFWJE-LBPRGKRZSA-N 288.174 3.627 30 20 CHED CC(C)(C)C1CCC(=NNC[C@@H]2CCSC2)CC1 811661754 RZTQJGACCJCYRN-UEWDXFNNSA-N 268.470 3.921 30 20 CHED C=CCC1(NCc2ccc(Cl)c(C)c2)CCOCC1 657633632 SXJHPBPEONLRFA-UHFFFAOYSA-N 279.811 3.863 30 20 CHED c1ccc(C[C@H]2CCC(=NNC3CCCC3)C2)cc1 814833008 UIJPNUSSDHXZHQ-OAHLLOKOSA-N 256.393 3.917 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc3c(c2)CCC3)no1 573734110 SOUSLZDFTCIPSC-LBPRGKRZSA-N 284.359 3.879 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NOC/C=C/Cl 811668862 KQGMWJSEMYYVNV-VYOGPGGTSA-N 281.636 3.948 30 20 CHED O=C(/C=C/c1cccnc1)c1nccc2ccccc12 811698885 MUVSUKSJLPGEEU-BQYQJAHWSA-N 260.296 3.526 30 20 CHED N#CCOc1ccc(CN[C@@H](c2cccs2)C2CC2)cc1 812358078 GNARPWHHDVMOJX-QGZVFWFLSA-N 298.411 3.891 30 20 CHED COC(=O)c1ccc(Cl)c(/C=C\c2ncccc2C#N)c1 486104764 UQCNUAUZDDCCKI-ALCCZGGFSA-N 298.729 3.564 30 20 CHED COc1ccc(O)c(/C=N\C2CC(c3ccccc3)C2)c1 728226779 YXALOPOVKMLROQ-UNOMPAQXSA-N 281.355 3.766 30 20 CHED C=CCN(C(=O)Nc1ccc(/C=C/C)cc1)C1CC1 497365803 IKXMKPWIPKGABF-HWKANZROSA-N 256.349 3.902 30 20 CHED CN(CC[C@H]1CC1(Cl)Cl)Cc1ccc(C#N)cc1 822570536 LMALDPNBECUNFQ-ZDUSSCGKSA-N 283.202 3.574 30 20 CHED Cc1ccc(NN=Cc2cnn(-c3ccc(F)cc3)c2)cc1 728173238 VZIWKJVJEXWGHS-UHFFFAOYSA-N 294.333 3.766 30 20 CHED C[C@H](Nc1ccc(N(C)C(=O)O)cc1)c1ccc(C#N)cc1 827773264 FWOKABJJEUJYQY-LBPRGKRZSA-N 295.342 3.846 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1C)C(C)C 821564836 UBHYKOYPHYXEKI-GFCCVEGCSA-N 298.308 3.793 30 20 CHED C=CCCC[C@H](C)N1CCOc2ccc([N+](=O)[O-])cc2C1 576269098 WPUIGZTYVHICNG-ZDUSSCGKSA-N 290.363 3.534 30 20 CHED CCOc1cc(C#N)ccc1OC[C@H]1CC1(Cl)Cl 727486706 KCJSPNWYGINTJN-SNVBAGLBSA-N 286.158 3.530 30 20 CHED C=CCCOC(=O)c1[nH]c2ccccc2c1Br 729072284 FMDXNAIIEMTGHU-UHFFFAOYSA-N 294.148 3.663 30 20 CHED CC(C)(C)[C@H]1CCCN1C(=O)/C=C\c1ccccc1C#N 729402640 SWOTWHMSYCFYEM-BLIJAFNYSA-N 282.387 3.609 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](CCC)c1ccccn1 663994316 ODFYNSFXKHFZHU-HNNXBMFYSA-N 289.423 3.967 30 20 CHED N#Cc1c(Cl)ncc2c(Br)cccc12 725541764 AWOJEVDQOJFIRB-UHFFFAOYSA-N 267.513 3.522 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)NCC(C)(C)CC#N 823519428 NRVCMOMTMNMHJC-MRXNPFEDSA-N 286.419 3.620 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NC(=O)CCCCCC#N 588702094 MKFZZJUMKUVBPJ-LLVKDONJSA-N 278.318 3.554 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccsc1C#N 908225196 OAHLZEQUPGNVAM-VXGBXAGGSA-N 290.432 3.907 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(C(=O)OC)c(Cl)c1 823700265 HIFVVHRTZINPOH-UHFFFAOYSA-N 296.750 3.634 30 20 CHED N#Cc1ccc(CN2CC3(CCCC3)c3ccccc32)nc1 583880464 YSMYRQJOGAARNK-UHFFFAOYSA-N 289.382 3.785 30 20 CHED CC(C)n1cncc1/C=C1/CSc2ccccc2C1=O 901428489 GYUHYBQDZLKTTR-GHXNOFRVSA-N 284.384 3.836 30 20 CHED C=C(C)CN(CC)Cc1ccc(Oc2ccccc2)nn1 499103136 WHGLUUHEUAOSNA-UHFFFAOYSA-N 283.375 3.667 30 20 CHED C=C1CCN(c2nc(C(F)F)nc3ccc(F)cc23)CC1 663577110 LEVJATJOYKCUOB-UHFFFAOYSA-N 293.292 3.863 30 20 CHED C#CCOc1ccc(N=Cc2cc(Cl)ccc2O)cc1 730952141 SRGZQOOKXWAWEN-UHFFFAOYSA-N 285.730 3.808 30 20 CHED Cc1cc(C)c(/C=C/C=C2\C(=O)c3ncnn3[C@@H]2C)c(C)c1 905083819 FTAGJZQHIDWBMS-FVURKLFWSA-N 293.370 3.600 30 20 CHED C=CCC1(NC[C@@H]2C[C@@H]2c2ccccc2)CCOCC1 668553032 ZDHBBLKWMHJJAN-DLBZAZTESA-N 271.404 3.505 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)CC3CCCC3)[nH]c12 735791429 YMWQYCRLLFCYON-ZDUSSCGKSA-N 281.359 3.628 30 20 CHED C#CCNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 730204585 CANZQUBLWUAOTQ-UHFFFAOYSA-N 287.721 3.509 30 20 CHED CC(C)COc1ccc(C=Nn2cnc3ccccc32)cc1 730144917 KPNYIKXVOGPSEL-UHFFFAOYSA-N 293.370 3.953 30 20 CHED C#CCOc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 730977578 HAVSKDJGJUAHSA-UHFFFAOYSA-N 299.757 3.533 30 20 CHED CCCCCCCCCNC(=O)N(C)C[C@H]1CCCOC1 730905351 RRCMBJMOWGRDDI-MRXNPFEDSA-N 298.471 3.805 30 20 CHED CCc1c(C)sc(NC(=O)[C@H]2CCCSC2)c1C#N 582215161 XBBUVSQISVLNJO-JTQLQIEISA-N 294.445 3.572 30 20 CHED CC(C)C[C@H](C)OC(=O)Oc1cc(F)cc(C#N)c1 831549902 HDIMTUSLWQFHCF-JTQLQIEISA-N 265.284 3.647 30 20 CHED CC(=NNc1nccnc1Cl)c1cc(C)c(C)cc1C 733079719 RDZGRPMBYRRVSQ-UHFFFAOYSA-N 288.782 3.891 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1(C(F)(F)F)CCC1 837950303 LBCQUJJMVFXRNN-UHFFFAOYSA-N 291.313 3.982 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2coc3ccccc23)C1 839048290 CRNWKVDVQHLFAN-NWDGAFQWSA-N 269.300 3.672 30 20 CHED C#CCC[C@H](C)OC(=O)CSc1ccc(OCC)cc1 839034951 SUNSKMUWIDHKJZ-ZDUSSCGKSA-N 292.400 3.523 30 20 CHED C#CCCCCCOC(=O)c1cnc2ccccc2c1 838853955 OJFWAJDWBHZYDQ-UHFFFAOYSA-N 267.328 3.585 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C)[C@H]1CC 583173093 VJKLCVNULRQCRY-GDBMZVCRSA-N 296.418 3.756 30 20 CHED C=CCC(C)(C)c1noc(-c2ccnc(C3CC3)c2)n1 580104455 SDIJBNAODBPDBF-UHFFFAOYSA-N 269.348 3.863 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(Cl)s1)c1ccncc1 734361198 RFHULUJFYIWMMT-LLVKDONJSA-N 292.791 3.844 30 20 CHED CC(=NN=C1c2ccccc2-c2ccccc21)c1cnccn1 734746161 HQKHUWHLFRVXDT-UHFFFAOYSA-N 298.349 3.719 30 20 CHED Cc1c(NC(=O)C#CC(C)C)cccc1C(F)(F)F 830156343 RYGLGVUMRDZNOS-UHFFFAOYSA-N 269.266 3.612 30 20 CHED CC(C)c1scnc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839063266 QPZJJKNULAVURH-QWRGUYRKSA-N 278.377 3.506 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@@H]1CCC(C)C)C(=O)O 901689781 GRYOQXKHZMLDCR-ILXRZTDVSA-N 267.413 3.600 30 20 CHED CC(C)[C@H](C)C(=O)N1CCCSC1=Nc1ccccc1 733087079 SXULYJWCZIOTMJ-ZDUSSCGKSA-N 290.432 3.932 30 20 CHED C=CCC(=NNc1nc(C)cc(C)n1)c1ccc(F)cc1 735609752 ZICXIRFSQOOJCH-UHFFFAOYSA-N 284.338 3.625 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3nc(O)[nH]c3c2)cc1F 731489816 NHXIXGHTLLOTNO-QPJJXVBHSA-N 296.301 3.612 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccccc1CC 730592495 DULWECIJSHPWBJ-UHFFFAOYSA-N 262.422 3.844 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1cnn(C(C)C)c1 732713594 CWMHJUNCKIRRMU-QPJJXVBHSA-N 272.323 3.808 30 20 CHED C=CC[C@@H](CC)Nc1cc(C(=O)OCC)c(Cl)cn1 580139440 VRCUDCZTFBEXMZ-SNVBAGLBSA-N 282.771 3.678 30 20 CHED N#Cc1ccc(CN(C(=O)OC2CCCC2)C2CC2)cc1 830244992 GLECFIHMROAGAL-UHFFFAOYSA-N 284.359 3.602 30 20 CHED O=[N+]([O-])c1ccccc1/C=C/C=NOCc1ccccc1 839419929 XOKJRALVVVFQMS-PYJFJABNSA-N 282.299 3.811 30 20 CHED N#CCCCCCC(=O)N1CCc2cc(Cl)ccc2C1 588165278 RTQIZQZZZLYJMM-UHFFFAOYSA-N 290.794 3.699 30 20 CHED N#Cc1cc(NC(=O)CCCC2CC2)ccc1Cl 589708299 YESVAFVJODFOIJ-UHFFFAOYSA-N 262.740 3.730 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@@H]1CCC[C@H](C#N)C1 839052307 NEDJVTGDVKURFR-UONOGXRCSA-N 297.354 3.909 30 20 CHED CC[C@@H](NC[C@@H](C#N)CCC#N)c1cc(C)ccc1C 599639817 CPOBRQMRKUPETI-NVXWUHKLSA-N 269.392 3.788 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCc3c(Cl)cccc32)CC1 678839091 QZQROOXYAFXGPW-HNNXBMFYSA-N 289.806 3.794 30 20 CHED N#CC1(c2ccc(-c3ccccc3CO)s2)CCC1 596641790 DMEMHWYUJWIMOJ-UHFFFAOYSA-N 269.369 3.853 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCC(C)(C)CCC#N 835386070 HRUWDZJLXQJOQY-JTQLQIEISA-N 279.302 3.838 30 20 CHED Cc1ccc(-c2ncc(CN(CC#N)C3CC3)s2)cc1C 594601256 JKWVXYXJXWDDEO-UHFFFAOYSA-N 297.427 3.915 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)c2ccco2)n1 747198543 ZBWUQBHMCBBPCC-MNOVXSKESA-N 288.372 3.839 30 20 CHED C=CCCCC(=O)N1CC(C)(C)[C@H]1c1ccccc1 748294880 GYSMOISPLYHILV-MRXNPFEDSA-N 257.377 3.952 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)CCCCCC#N 590771185 UUUHXXQOYCVONV-MRXNPFEDSA-N 264.413 3.888 30 20 CHED C=CCOc1ccccc1CNCc1cccc(CC)c1O 848896439 AWXWSQNMJGEMBU-UHFFFAOYSA-N 297.398 3.809 30 20 CHED CCC(=NNc1nccc2sccc12)[C@H]1CCOC1 741839333 DTUSXOFDXWOCRR-JTQLQIEISA-N 275.377 3.511 30 20 CHED Cc1ccc(C[C@H](C#N)SC(=S)N2CCCC2)cc1 917861594 WFNYVYGHNNEPLW-CQSZACIVSA-N 290.457 3.544 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccnn1CC(C)C 843269268 MHWJKSFZRBEBDS-ALCCZGGFSA-N 286.350 3.883 30 20 CHED Oc1ccc(C=NNCc2ccc(Cl)cc2Cl)cc1 914696725 KDGFBLDALXEEGX-UHFFFAOYSA-N 295.169 3.823 30 20 CHED Oc1ccc2ccccc2c1/C=N/Cc1cccc(F)n1 747690237 GIOSSRQXMXLSMA-YBFXNURJSA-N 280.302 3.699 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1CCC2(CC1)CC2 596920715 PXUSMQBZBBUUFJ-UHFFFAOYSA-N 298.386 3.866 30 20 CHED Cc1ccc(C2(CNC(=O)CCCCCC#N)CC2)c(C)c1 590767414 BDSILQGIEHATEQ-UHFFFAOYSA-N 298.430 3.925 30 20 CHED CCN(C(=O)[C@@H](C)Sc1ccccc1Cl)[C@H](C)C#N 598354470 XYIHOEUAELPWHO-GHMZBOCLSA-N 296.823 3.581 30 20 CHED COc1cccc(/C=N/C[C@@H]2CCCCC2(F)F)c1O 840707997 TWZKPOBOYFODDG-BEAUZRKQSA-N 283.318 3.645 30 20 CHED CC(C)(C#N)CCCSCc1cc2n(n1)CCCC2 593193303 BDFMYPMNROUWPQ-UHFFFAOYSA-N 277.437 3.783 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cccc(C(F)(F)F)c1C 844560276 MDDNDRSWNIGGCW-MRVPVSSYSA-N 288.269 3.641 30 20 CHED C=CCOc1ccc(NC(=O)OC(C)C)cc1Cl 844771387 RSMFEINXVCDYSM-UHFFFAOYSA-N 269.728 3.862 30 20 CHED CCCCC(C)=NNC(=S)Nc1ccccc1OC 915927850 AXQNMNJNKYXVGB-UHFFFAOYSA-N 279.409 3.548 30 20 CHED C#C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1 843643370 RGJWITUAPRPKSJ-GOSISDBHSA-N 289.378 3.500 30 20 CHED CC(CCC1CC1)=NNc1cccc(C(=O)O)c1C 844625121 VZHSORCMHYYSGB-UHFFFAOYSA-N 260.337 3.671 30 20 CHED N#CC[C@H]1CCCN(C(=O)C2(Cc3ccccc3)CCC2)C1 597907467 BFZCXWMNVGZVTR-QGZVFWFLSA-N 296.414 3.552 30 20 CHED C=C(Cl)CSCCOc1ccc(OCC)cc1 913396229 SKDYNPBGYKHWOI-UHFFFAOYSA-N 272.797 3.950 30 20 CHED COc1ccc(C)cc1CON=Cc1cccs1 745581858 WPOXHZZVIYGXPS-UHFFFAOYSA-N 261.346 3.616 30 20 CHED CCC(C[C@H](C)CC)=NNc1cccc(C(=O)O)c1 915935204 APBUYBPVAQHKBM-LLVKDONJSA-N 262.353 3.999 30 20 CHED CC(=NNc1cnccn1)c1ccc(-c2ccccc2)cc1 912958883 MGTRKLYDSOIYBM-UHFFFAOYSA-N 288.354 3.980 30 20 CHED CC1CCN([C@H](C/N=C\c2ccccc2O)C(C)C)CC1 915113145 OZVOGJCQVYBRMJ-UEXNTNOUSA-N 288.435 3.568 30 20 CHED CCCCCC(C)=NNc1cc(Cl)nc(C)n1 741763949 LRLYRHBUNRBDGM-UHFFFAOYSA-N 254.765 3.807 30 20 CHED CC(C)OCCCSc1cccc(F)c1C#N 590596224 BYJKPGHFBHENLG-UHFFFAOYSA-N 253.342 3.605 30 20 CHED C#CCCCNC(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 743691782 DGGPPEGKKVOCAY-QGZVFWFLSA-N 286.419 3.659 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(C#N)s2)c1 748781444 XKMLYIUQCVVKQU-UHFFFAOYSA-N 255.346 3.683 30 20 CHED Clc1ccc([C@@H]2CCCC(=NN[C@H]3CCOC3)C2)cc1 841635685 OKKCJDDZZXKDTM-CJNGLKHVSA-N 292.810 3.732 30 20 CHED FC(F)(F)c1ccc(NN=Cc2ccccn2)cc1 746575306 ACNPLCWGWCIXHN-UHFFFAOYSA-N 265.238 3.546 30 20 CHED CC(C)(CC#N)CNCc1cccc(Oc2ccccn2)c1 922178246 MZGCRPRBLVWZPH-UHFFFAOYSA-N 295.386 3.903 30 20 CHED C#C[C@@H](CCC)NC(=N)Nc1ccc([C@@H](C)CC)cc1 849092947 MHERYLPSTQCQNX-ZFWWWQNUSA-N 271.408 3.938 30 20 CHED CO[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)C1CC1 840707971 YXVKFYDALHBONO-RVWHDZECSA-N 288.174 3.543 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CC[C@H](C)C2)c1 742371014 FSRLKSAJPDKOHF-CWRNSKLLSA-N 272.392 3.646 30 20 CHED C=CCCOC(=O)c1ccccc1NCc1ccco1 740176585 SXNBWASBVMHDAS-UHFFFAOYSA-N 271.316 3.625 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OCCc1cccs1 847635026 VCDAQIIDYPNVDE-CYBMUJFWSA-N 299.395 3.584 30 20 CHED C/C=C(/CC)C(=O)N(CC#N)c1ccc(Cl)cc1 843610313 GIAWHHNYUYRQEL-JYOAFUTRSA-N 262.740 3.553 30 20 CHED CSc1ccc(F)cc1CN[C@H](C)CC(C)(C)C#N 925191311 MSMRKKXJCNEOEV-LLVKDONJSA-N 280.412 3.966 30 20 CHED CC(C)(C)c1nc(C=NNc2ccc(C#N)cc2)cs1 920374285 WWQVVQWYUNILGN-UHFFFAOYSA-N 284.388 3.758 30 20 CHED C[C@H](OC(=O)C1[C@@H]2CCCC[C@@H]12)c1cccc(C#N)c1 751177104 WSVMWPGBLVHGFO-NILFDRSVSA-N 269.344 3.599 30 20 CHED COCc1cc(N[C@H](C)CC(C)(C)C#N)ccc1OC 926800149 WLMDBLDWSRXPAV-GFCCVEGCSA-N 276.380 3.582 30 20 CHED C=C1CN(C(=O)Nc2ccc3nc(C(C)C)sc3c2)C1 929979804 GJPUDMWIQGRJIE-UHFFFAOYSA-N 287.388 3.823 30 20 CHED C=CCCOCc1nc(-c2ccccc2C(F)(F)F)no1 680655485 ITZRVLQKYMBALQ-UHFFFAOYSA-N 298.264 3.848 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Nc1cnns1 755338059 UIDDKZYUQMZPCW-LLVKDONJSA-N 284.429 3.656 30 20 CHED C[C@@H]1CC(=NOc2ccccc2C(F)(F)F)CCN1C 754710003 PVNFLXLVHAEKEC-SNVBAGLBSA-N 286.297 3.554 30 20 CHED CCCNc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1 926287744 KKSJAZGVBZWDOY-CQSZACIVSA-N 273.424 3.926 30 20 CHED CC(C)=CCCn1ccc(-c2ccc(C#N)cc2)n1 853663501 DIZSUOMOYIELGR-UHFFFAOYSA-N 251.333 3.778 30 20 CHED Cc1cc([C@@H](C#N)C(=O)CC2(C)CCCCC2)nc(C)n1 753532986 KSBHLXJROUDNJD-CQSZACIVSA-N 285.391 3.630 30 20 CHED C(=Nn1cnc2ccccc21)c1coc(-c2ccccc2)n1 755611833 JSXMWBLGDNEPOH-UHFFFAOYSA-N 288.310 3.574 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CC[C@H]2CC2(Cl)Cl)C1 851083627 KTVXKFHGYNOHEE-VWYCJHECSA-N 290.190 3.586 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCCN(C)c1ccccc1 924741581 JWJBKGBOYVLDSU-MRXNPFEDSA-N 287.451 3.821 30 20 CHED CCOc1ccc(C=Nc2cccc(F)c2)c(O)c1 920946245 WDNUAENUUVZXKJ-UHFFFAOYSA-N 259.280 3.681 30 20 CHED C=CCCN[C@@H](c1cccnc1)c1cc(C)cc(C)c1 926682364 BSFPOEKWCRNQHJ-SFHVURJKSA-N 266.388 3.954 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ccnn1C(F)F 851142006 FGVGEHOVLGEZTB-JQWIXIFHSA-N 284.306 3.570 30 20 CHED Cc1ccc(C)c(OCCON=Cc2cccs2)c1 852102248 XPTBRVTUMXIEGB-UHFFFAOYSA-N 275.373 3.794 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1ccc(F)c(C#N)c1 758958615 ZGPPZZZWMSWTHO-UHFFFAOYSA-N 277.339 3.813 30 20 CHED COc1ccc(NN=Cc2cccc3[nH]ccc23)cc1 755801787 MZNZXSKRNBHCPF-UHFFFAOYSA-N 265.316 3.623 30 20 CHED C=C(Cl)COC(=O)[C@H](OC(C)(C)C)c1ccccc1 754314690 LEQUMGBFAJHOET-CYBMUJFWSA-N 282.767 3.839 30 20 CHED C#CC[C@@H](NCc1cc(C)cc(C)n1)c1ccccc1 930217530 NSTCUZYSOXEXNU-GOSISDBHSA-N 264.372 3.553 30 20 CHED CCCCCCCCNC(=O)Cn1nc(C)c(Cl)c1C 754849864 LBHQUBOTJQAOKX-UHFFFAOYSA-N 299.846 3.630 30 20 CHED C=CCC1(C(=O)OCc2noc(C3CCC3)n2)CCCC1 859714175 COVPMYSYLSXPKN-UHFFFAOYSA-N 290.363 3.517 30 20 CHED C=C(Cl)CON=C(C)c1ccc(NC(=O)C2CC2)cc1 853649252 SIVPQHFKSFBECS-UHFFFAOYSA-N 292.766 3.528 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1Cl)C1CCCC1 1458379955 BIUNYZPBBSILMJ-CYBMUJFWSA-N 263.772 3.987 30 20 CHED CCCCCCCNC(=O)c1ccccc1Cn1cccn1 862358531 MDZGNUBKMUALAY-UHFFFAOYSA-N 299.418 3.632 30 20 CHED O=C(/C=C/c1nc2ccc(F)cc2s1)c1ccncc1 761473281 BRQPRAWEDSPZKH-ONEGZZNKSA-N 284.315 3.727 30 20 CHED CC(=NNc1cccc(C)n1)c1nc2c(s1)CCCC2 863159587 AFCGHBUOPXUUSO-UHFFFAOYSA-N 286.404 3.561 30 20 CHED C#CCCCN[C@@H](Cc1cccc(OC)c1)c1ccccc1 766222184 IHZOPPKECJGAJS-FQEVSTJZSA-N 293.410 3.982 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCc1cccc2ccccc12 864904589 JGIFWWBBXBAGSB-OAHLLOKOSA-N 294.398 3.781 30 20 CHED C[C@@H](C=NNc1cc(C#N)cc(Cl)n1)c1ccccc1 768382713 XRKKXQYVKVXGNO-NSHDSACASA-N 284.750 3.808 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@@H]1CCC[C@@H]1C 769284475 SWGISIGCCYVBNX-JSGCOSHPSA-N 287.359 3.689 30 20 CHED C#CCN(CC)C(=O)c1ccccc1Nc1ccccc1 764513238 HDHKAYJKFMYSTH-UHFFFAOYSA-N 278.355 3.526 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(F)cc1F 769842163 ZLRIUDAGQGTIHP-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C#CCC(C)(C)C(=O)OCc1cccc2ccccc12 767644963 RVFWGVMVBWIIQC-UHFFFAOYSA-N 266.340 3.933 30 20 CHED CCCC1(C(=O)Nc2ccc(F)cc2OCC#N)CCC1 760800270 FVDVXQLVTBTQEM-UHFFFAOYSA-N 290.338 3.637 30 20 CHED C/C(=C\C1CCC(C)CC1)C(=O)NCCCCC#N 865167199 MBVQPLGSJRLWLR-WYMLVPIESA-N 262.397 3.569 30 20 CHED Cc1ccsc1C(=O)OCCCCC(C)(C)C#N 768374371 UBOAIYUJKKHMMK-UHFFFAOYSA-N 265.378 3.933 30 20 CHED C#CCCCNc1ccc(OC(F)F)cc1OC(F)F 766728571 NPFVYLWKCAPJPB-UHFFFAOYSA-N 291.244 3.715 30 20 CHED Cn1cc(CSc2ccccc2C#N)c(C(F)F)n1 1116652870 BKTLRVXGIYTBRV-UHFFFAOYSA-N 279.315 3.522 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)cn1 775527235 PKGFDLNODQJLNK-SNVBAGLBSA-N 289.741 3.597 30 20 CHED C=C(CC)COC(=O)c1cnn(-c2ccccn2)c1C(C)C 773483034 SRDSVYRXKLCYJO-UHFFFAOYSA-N 299.374 3.514 30 20 CHED CCC(CC)CNN=Cc1cn(C)nc1C1CCCCC1 774463988 STHCMTYBRHGXNI-UHFFFAOYSA-N 290.455 3.828 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)OCC1(C#N)CC1 775859793 QLYGLUKGPPOBPE-AWEZNQCLSA-N 263.381 3.830 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(-n2cccc2)cc1 776369139 LSZIBJABNQVDQB-UHFFFAOYSA-N 282.343 3.574 30 20 CHED COc1ccc(C#N)cc1NCc1cc(C)c(C)cc1O 779590476 NBMOYDJBDRAULY-UHFFFAOYSA-N 282.343 3.501 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2CCC(C)(C)C#N 776590608 FCCUPTAUCPUAAO-ZDUSSCGKSA-N 258.365 3.522 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@H](CC(C)C)C1 1127077884 RIFNQCPVLYUCSQ-MRXNPFEDSA-N 284.403 3.765 30 20 CHED C=CCC[C@@H](NC(=S)NC1(C)CC1)c1ccccc1 789273790 NTPSRIWMJPHLQN-CQSZACIVSA-N 274.433 3.711 30 20 CHED C=C1CCC(C(=O)Nc2cc(OC)c(OC)cc2F)CC1 888847188 NIJUQGQDFMXATH-UHFFFAOYSA-N 293.338 3.528 30 20 CHED Clc1ccc(CNN=C2CCC3(CCCO3)CC2)cc1 788021219 ZZUZSJCZMLSNKP-UHFFFAOYSA-N 292.810 3.909 30 20 CHED C=C[C@@H]1CCCCN1C[C@H](O)c1ccc(C(F)(F)F)cc1 785998613 JGROPCDTVLKDTA-CABCVRRESA-N 299.336 3.779 30 20 CHED CCCCCCC(=O)COC(=O)C1(C#N)CCCCC1 784210464 QBMYVMVWLKLODH-UHFFFAOYSA-N 279.380 3.543 30 20 CHED CSc1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(C)o1 1125786952 CPHDUGZBJOYFDO-UHFFFAOYSA-N 290.319 3.573 30 20 CHED C#CCCCCCC(=O)N(C)[C@H](C)c1cccs1 780380313 UAKLTCBSVQHOAC-CYBMUJFWSA-N 263.406 3.851 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 1123580554 KCMMVSOGJAEBIK-LBPRGKRZSA-N 287.359 3.975 30 20 CHED CC(C)C[C@H](C)C[C@@H](C)NCc1ccc(C#N)cn1 783301714 ZXJBHEGNJUJTIC-UONOGXRCSA-N 259.397 3.504 30 20 CHED Cc1ccnc(NN=Cc2ccc(Cl)cc2F)c1 783521510 UBRDSXCKVDKFNS-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2cccc(Cl)c2o1 781191637 DMSYYMUNFMXMKK-VIFPVBQESA-N 263.680 3.545 30 20 CHED COc1ccc2nc(NN=C(C)[C@@H]3CCCO3)c(C)cc2c1 783864973 YQDQFKFICVFIJL-INIZCTEOSA-N 299.374 3.519 30 20 CHED C=C1CC(c2noc([C@@H]3CCC(=O)c4ccccc43)n2)C1 896877823 QGVBHIHIXOVCEZ-CQSZACIVSA-N 280.327 3.612 30 20 CHED C=CCCC(=O)COC(=O)c1csc2cc(C)ccc12 796354812 ABHABNHIDCMIFF-UHFFFAOYSA-N 288.368 3.902 30 20 CHED CCCCCCCS(=O)(=O)N(CC1CC1)C1CCC1 799820095 HHRTYQQERKRQNC-UHFFFAOYSA-N 287.469 3.551 30 20 CHED C[C@@H](NN=Cc1sccc1Br)C(C)(C)C 793114009 DCSLRWQOOOXHPW-MRVPVSSYSA-N 289.242 3.869 30 20 CHED Cc1cccc(C=NN[C@@H](C)C(C)(C)C)c1OC(F)F 793116957 VXEXBOCOWYSYPR-NSHDSACASA-N 284.350 3.955 30 20 CHED C[C@@H](Cn1ccc2ccccc21)C(=O)OCC1(CC#N)CC1 797074188 MESJLZJPXLDFQN-AWEZNQCLSA-N 296.370 3.514 30 20 CHED CCC(Cc1ccccc1)=NNc1cccc(F)n1 795006491 BOJIHJWGIGUMFP-UHFFFAOYSA-N 257.312 3.641 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2coc(C)n2)cc1 795021789 YCAADBMBDPIZAN-MRXNPFEDSA-N 283.331 3.528 30 20 CHED Fc1cccc(NN=C(CC2CC2)c2ccccc2)n1 795009552 DDZACKKESNYFDP-UHFFFAOYSA-N 269.323 3.837 30 20 CHED CC1(C)CCc2ccccc2C(=NNc2cnccn2)C1 797787632 XGDCXPUDCNRESK-UHFFFAOYSA-N 280.375 3.655 30 20 CHED CC(COC(C)C)=NNc1ccc(C(F)(F)F)cc1 799885591 ZMKHABAWQSQIMX-UHFFFAOYSA-N 274.286 3.918 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2cc(C)oc2C)c1 1351960113 DFIVUGXNSVWRPZ-LLVKDONJSA-N 255.321 3.645 30 20 CHED CC(C)CC1CCN(Cc2cccc(C#N)c2F)CC1 1307524711 WNGLWOHMOBFCHA-UHFFFAOYSA-N 274.383 3.955 30 20 CHED Cc1cc(N[C@@H](C)Cc2ccccc2C)ncc1C#N 1306951855 UIXFKKUUDBSCHN-AWEZNQCLSA-N 265.360 3.613 30 20 CHED Cc1cc(NCC2(Cc3ccc(F)cc3)CC2)ncc1C#N 1161619881 CEACAWZUYRDJCL-UHFFFAOYSA-N 295.361 3.836 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 76068216 ZLWIODONMJJDNJ-CVEARBPZSA-N 274.433 3.664 30 20 CHED C[C@@H](CCc1ccccc1)Nc1cccc(CC#N)n1 1161612914 NVMCRWVRPYANDT-AWEZNQCLSA-N 265.360 3.581 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(OCc2ccccc2)c1 390738503 KLEPGIGSRRMGIL-UHFFFAOYSA-N 294.354 3.754 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 1321236344 AMOPRMJQPWJARC-OWQGQXMQSA-N 296.414 3.908 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)n1cccc1 1323162140 CNBHQACBDWAESA-HNNXBMFYSA-N 274.408 3.644 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CSCc2cccs2)C1 1325324510 JTLGPYBJOVFKKQ-NWDGAFQWSA-N 295.429 3.607 30 20 CHED CCCCCCCNc1ccccc1C(=O)N(C)C 59471625 NOJSKWLYKBXWHM-UHFFFAOYSA-N 262.397 3.771 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1Nc1cccc(C#N)n1 556597331 VSHWWYUABADCCX-YVEFUNNKSA-N 263.344 3.689 30 20 CHED C#CCOc1ccc(NC(=O)C2CCCCCC2)cc1 730982350 BUPHRWFOEJEVTI-UHFFFAOYSA-N 271.360 3.608 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2ccc(OCC#N)cc2)C1(C)C 1320388921 YVWACEFKWCUOLR-HOTGVXAUSA-N 288.391 3.593 30 20 CHED C=CCN(C(=O)c1cc(C)nc2cc(F)ccc12)C(C)C 1248632197 UYJQYZNEGYMVJS-UHFFFAOYSA-N 286.350 3.719 30 20 CHED CCOCc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1 1327031799 RGJABAWYDVUGNW-UHFFFAOYSA-N 294.354 3.656 30 20 CHED N#CCC[C@@H](Nc1cccc(CC#N)n1)c1ccccc1 1320491129 RIMZXJBYDHMMTF-MRXNPFEDSA-N 276.343 3.605 30 20 CHED CC(C)(C#N)c1nnc(CSc2ccc(Cl)cc2)o1 1322189497 IAWLQPKFTMZBHB-UHFFFAOYSA-N 293.779 3.816 30 20 CHED CC(=NOC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 1254352060 GZUDMHBJSUVDPC-INIZCTEOSA-N 274.408 3.700 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2SC)CC1 1331413937 VTCDODBHCOFKIN-ZIAGYGMSSA-N 267.438 3.523 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(F)c2Cl)cc1 90866092 LZUFZMWJDHTYDD-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1cc(C)cc([C@@H](C)Nc2cccc(CC#N)n2)c1 1338244425 VIJQZTXUWRQDSX-CQSZACIVSA-N 265.360 3.938 30 20 CHED C=CCC[C@H]1CCCN1c1nnc([C@@H]2CC=CCC2)n1C 1339648629 UALWLVXOZHWEJO-CABCVRRESA-N 286.423 3.574 30 20 CHED COCC#CC(=O)Nc1c(C(C)C)cccc1C(C)C 1347371344 CSTIESICFNDPSA-UHFFFAOYSA-N 273.376 3.522 30 20 CHED C=C(C)CCC(=O)N1CC(C)(C)[C@H]1c1ccccc1 1262675585 SVWJHKWPZPAHCL-MRXNPFEDSA-N 257.377 3.952 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1cccc(C)c1 1264437416 DGVGJPVKNHNCID-UHFFFAOYSA-N 270.357 3.595 30 20 CHED C=C(Cn1c(CC(C)C)nnc1N(C)CC)c1ccccc1 1359140233 TWDORLLIWQKZBP-UHFFFAOYSA-N 298.434 3.646 30 20 CHED N#Cc1ncccc1SCc1cc(-c2cccs2)on1 1459069785 DIKMQQKWGHMPBC-UHFFFAOYSA-N 299.380 3.962 30 20 CHED N#Cc1cnc(N[C@@H]2C[C@H]2c2ccccc2Cl)c(F)c1 1458493293 ZMIMTJPBVKLVCB-SMDDNHRTSA-N 287.725 3.714 30 20 CHED CC1(C)CC[C@H](C(=O)O[C@H](CC#N)c2ccco2)C1 1520425289 NKKPZYXUAFWHAQ-WCQYABFASA-N 261.321 3.604 30 20 CHED Cc1nc2c(NC(=O)c3ccc(C)c(C#N)c3)cccc2o1 1460044806 RFGATLVBOVSIHZ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(Cl)cc1F 15605493 CHKGZIKBGKOUPL-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1cc(C#N)ccc1C 1539600945 FLGSYTBLMKGFPW-GOSISDBHSA-N 290.366 3.974 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)ccc1Cl 1472676316 FACQZEHZDPVYHC-GHMOJZLGSA-N 287.794 3.843 30 20 CHED N#Cc1cccc(SCc2ncccc2Cl)c1 1472996851 MBDKHTGGPDXIJB-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C=C(CC)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl 1548658005 XNNRJZIBWWCTNT-SNVBAGLBSA-N 286.158 3.509 30 20 CHED CC1(C)CC=C(C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 1556499866 PLYGINGYJDRDSD-AWEZNQCLSA-N 274.408 3.664 30 20 CHED N#Cc1cc(F)cc(NCc2cnc3ccccc3c2)c1 1621033095 YPRXBMBKYHGDOV-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[C@H]1C 1566403000 JSSGNSIIYIDQEH-OCCSQVGLSA-N 285.391 3.755 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1C[C@@H]1C1CCCCC1 1655198447 MCLDGRHKYGARFC-CVEARBPZSA-N 265.360 3.811 30 20 CHED Cc1cc(N[C@H](CCC#N)c2ccccc2)ncc1C#N 1651665006 XLRBNZUHBHLFEJ-MRXNPFEDSA-N 276.343 3.719 30 20 CHED N#Cc1ccc(S[C@H]2CCOc3ccccc32)nc1 1655253955 SRJWBEYIENJEAA-AWEZNQCLSA-N 268.341 3.569 30 20 CHED CCCCCCCN1CCc2cc(C(=O)O)ccc2C1 1595704669 VJIUVCRRUIGAKH-UHFFFAOYSA-N 275.392 3.713 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@@H]2CCCC(C)(C)C2)C1 1776153636 PJGITYOQCCZYRV-CRAIPNDOSA-N 293.451 3.946 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(C)c(C(=O)O)c1 1776982283 UBHOPUHEKXCKJY-SREVYHEPSA-N 295.338 3.547 30 20 CHED O=C(O)c1cc(NN=C2CC[C@H]2C2CCC2)ccc1F 1776063323 MAGCOFFXIXMWTQ-NSHDSACASA-N 276.311 3.502 30 20 CHED C=CCOc1cccc(CNc2cccc(C#N)c2)c1 161158389 ZEXIALYQBCRUFA-UHFFFAOYSA-N 264.328 3.735 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(C)c2)cc1OC 169520880 IYSXHUBQWCALEV-CLFYSBASSA-N 282.339 3.908 30 20 CHED N#CC1(c2ccccc2)CC(NC[C@H]2Cc3ccccc32)C1 158471689 XFUJEXYHYZNKKR-PPDQVPDSSA-N 288.394 3.540 30 20 CHED CN(Cc1ccoc1)c1ccc(C#N)cc1Br 168550521 HFSWEAWIJDTDLU-UHFFFAOYSA-N 291.148 3.550 30 20 CHED C=CCCOCCN[C@@H](C)c1cccc(Cl)c1 155637895 NDZOWVSPBFTQLG-LBPRGKRZSA-N 253.773 3.583 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)c1ccc(C#N)c(Cl)c1 157237654 FRSQEEKRGNWVAU-OAHLLOKOSA-N 290.794 3.862 30 20 CHED N#CCCCN1CC=C(c2c[nH]c3ccccc23)CC1 259355902 YZDJPEGQUAXDAN-UHFFFAOYSA-N 265.360 3.561 30 20 CHED Cc1cc(CN(C)CC2CCCCC2)ccc1C#N 1664140510 USTZUWKQAOWCSU-UHFFFAOYSA-N 256.393 3.879 30 20 CHED C=CCSCCNCc1ccc(OC(F)(F)F)cc1 222059690 FOWBZNHPOVWBSL-UHFFFAOYSA-N 291.338 3.594 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@]1(C)C(=O)O 112787317 ZYDALLQKIUKUPC-MRXNPFEDSA-N 283.412 3.593 30 20 CHED N#Cc1ccc(-c2csc(-c3ccccn3)n2)cc1 23386466 IBQLDTRBSIICJM-UHFFFAOYSA-N 263.325 3.744 30 20 CHED N#Cc1cnc(N2CC[C@@H](c3ccccc3)C2)c(Cl)c1 263728867 CFGSLSWZPKNAJT-CQSZACIVSA-N 283.762 3.601 30 20 CHED N#Cc1ccc(CN(CC2CC2)CC2CC2)c(Cl)c1 162912011 MBZPTVXIYRFFKS-UHFFFAOYSA-N 274.795 3.834 30 20 CHED C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)CCS1 302756542 WACORQHSBHKJIW-SNVBAGLBSA-N 266.797 3.543 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c(Cl)c1 192345840 SFMFQRRVTSQXEJ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)(C)C[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 307777338 QOZWGYSPDALMQQ-CQSZACIVSA-N 274.383 3.955 30 20 CHED C=C(C)CCN(C)Cc1ccc(Br)cc1 404157126 QCNBBYCPQGKGNL-UHFFFAOYSA-N 268.198 3.847 30 20 CHED C#Cc1cccc(NCCCCC2CCOCC2)c1 311327482 DQZIZSQMQVBVTL-UHFFFAOYSA-N 257.377 3.677 30 20 CHED Cc1ccc(CCNc2ccc(Cl)cc2C#N)o1 517796234 IIBLBNLKDGZRAL-UHFFFAOYSA-N 260.724 3.768 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc2sccc2c1 315578575 KWZACENVRKDWKX-UHFFFAOYSA-N 272.373 3.571 30 20 CHED N#Cc1cccc(NCC2CCC(F)(F)CC2)c1 416988566 LHBYNWSCDASJPF-UHFFFAOYSA-N 250.292 3.796 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1csc(C(=O)O)c1 689079042 RSMWTCUAABFRTI-CHWSQXEVSA-N 279.405 3.671 30 20 CHED N#Cc1c(Cl)cccc1NCc1cccc2c1OCC2 692971146 CPIYZQPRXKWGKY-UHFFFAOYSA-N 284.746 3.759 30 20 CHED CSCC1CCC(Nc2ccc(OCC#N)cc2)CC1 385785835 GKSBKJHQQOWTGP-UHFFFAOYSA-N 290.432 3.923 30 20 CHED Cc1ccc(CNc2cc(F)cc(C#N)c2)c(F)c1 718620583 YUSWORSZOMHELM-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCc2ccc(OC)cc21 389205604 SICOAXQHKZBSJN-MRXNPFEDSA-N 259.393 3.874 30 20 CHED C=CCOC(=O)COc1ccc(Oc2ccccc2)cc1 3204737 BHDVDMISXFFWPZ-UHFFFAOYSA-N 284.311 3.587 30 20 CHED N#Cc1ccc(Cl)cc1NCC[C@H]1C[C@H]2CC[C@H]1O2 413410797 QABORILOWFBLAL-PSOPSSQASA-N 276.767 3.581 30 20 CHED Cc1ccc(CNc2cccc(Cl)c2C#N)cn1 58002830 FZHXDJVCAKRERF-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CCOc1ccc(NC(=O)Nc2ccc(C#N)cc2)c(C)c1 56343160 ZCWBDEWPBYYWMI-UHFFFAOYSA-N 295.342 3.909 30 20 CHED Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1C 172035445 GLEAUTPCHNKDOP-INIZCTEOSA-N 298.773 3.952 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)CCC 55891305 HXKYHRGDMBFRTL-AWEZNQCLSA-N 275.392 3.646 30 20 CHED C=CCN1C(=O)/C(=C\c2ccc(C)c(F)c2)SC1=S 171764732 BADZRFVZTGYRPA-XYOKQWHBSA-N 293.388 3.521 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 103031826 WIIXQYRHNRQVQG-ZWKOTPCHSA-N 293.341 3.574 30 20 CHED CS[C@@H]1CC[C@H](Nc2nc(C)c(C#N)cc2Cl)C1 311054638 XWNCFUBTTCSBMP-WDEREUQCSA-N 281.812 3.611 30 20 CHED C=CC1CCN(C(=O)CSCc2cccc(C)c2)CC1 110365223 NSLCCXCWNDQMAD-UHFFFAOYSA-N 289.444 3.653 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 27353963 AORBZXMBAUDLBP-UHFFFAOYSA-N 296.370 3.915 30 20 CHED CC(C)CC1(CNC(=O)Nc2ccc(CC#N)cc2)CC1 119033932 CLSCOSWOBXXMCX-UHFFFAOYSA-N 285.391 3.700 30 20 CHED CC(C)(C)c1nc(N[C@@H](CCC#N)c2ccccc2)no1 302131826 KOEBVQZNDDLWRS-ZDUSSCGKSA-N 284.363 3.824 30 20 CHED C=C1CCC(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)CC1 1350138154 JNPOGSAABBRLMT-YPMHNXCESA-N 289.341 3.922 30 20 CHED Cc1ccc(O[C@@H](C)CNc2c(C#N)cccc2C#N)cc1 302881341 IZQAXWUMLAVBDR-AWEZNQCLSA-N 291.354 3.618 30 20 CHED CCCCCCCNc1cccc(C[S@](C)=O)c1 179848465 CENYZMDYFUOPLW-SFHVURJKSA-N 267.438 3.947 30 20 CHED CCn1cc(/C=C2\C(=O)c3ccsc3S[C@H]2C)cn1 172819507 RGQMYEMQHXFFAO-TXEUWIOXSA-N 290.413 3.725 30 20 CHED N#Cc1cccc(OCc2ncc(-c3cccs3)o2)c1 67428168 MINJAYDPBYEIDI-UHFFFAOYSA-N 282.324 3.854 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1cc(C)ccc1F 171259693 XEBONMLUZYNTIP-UHFFFAOYSA-N 299.301 3.624 30 20 CHED N#CC1(COC(=O)C2(Oc3ccccc3)CC2)CCCCC1 1357676440 KFMBRGHXNDXQGM-UHFFFAOYSA-N 299.370 3.615 30 20 CHED COc1ccc(N[C@@H](C#N)C2CCCCC2)c(C)c1 115606199 VXEXZNUYHKVSMV-INIZCTEOSA-N 258.365 3.888 30 20 CHED C[C@H](C#N)CN(C)[C@@H](C)c1cccc2ccccc12 64795295 ZBMPHIUBHHTNRE-KGLIPLIRSA-N 252.361 3.992 30 20 CHED N#Cc1cccc(CN[C@H]2CCOc3c(Cl)cccc32)c1 67248709 CTNPVCNDCNUVPZ-INIZCTEOSA-N 298.773 3.825 30 20 CHED CCCOC1(CNc2c(C#N)cccc2C#N)CCCCC1 302907988 XWCVOMZFOQYMCR-UHFFFAOYSA-N 297.402 3.971 30 20 CHED Cc1ccc(CNCCCCC#N)cc1Br 127614351 LIIJDHMPQBXBDJ-UHFFFAOYSA-N 281.197 3.541 30 20 CHED N#Cc1ccc(N[C@H]2CCc3ccc(F)cc32)c([N+](=O)[O-])c1 301165893 CADHXOVXVNYICB-AWEZNQCLSA-N 297.289 3.705 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(C)cc2F)c1 176160680 GLPYJSVNBJDBGL-UHFFFAOYSA-N 285.318 3.951 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N3CCC(C#N)CC3)oc12 61584238 YILKVVSNVROCAL-UHFFFAOYSA-N 296.370 3.734 30 20 CHED C=C(C)COCCN[C@H](C)Cc1ccccc1SC 183618518 WPQMPNAXZGFERX-CQSZACIVSA-N 279.449 3.522 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1F 37502477 UCNYBUGOXXBZMV-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=C(C)[C@@H](N[C@H](CC)COC)c1ccc(F)c(F)c1 186449513 TVRQCBLJVMJMEJ-IUODEOHRSA-N 269.335 3.597 30 20 CHED N#Cc1c(F)cccc1N(Cc1ccc(O)cc1)CC1CC1 301858948 CQQDODYUDKQFIC-UHFFFAOYSA-N 296.345 3.820 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccccc2C#N)cc1 120776995 RYSSJQVWKDZJAB-FMIVXFBMSA-N 277.323 3.853 30 20 CHED C#Cc1cccc(NC(=O)c2cccc(F)c2Cl)c1 79403432 PDAZNFSPOBZZKU-UHFFFAOYSA-N 273.694 3.713 30 20 CHED Cc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c(C)s1 31435311 DMUGZVGXODXBOG-LLVKDONJSA-N 284.384 3.728 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1N1CCCC1 122026444 SCEKFAJLRMQGAV-UHFFFAOYSA-N 284.403 3.994 30 20 CHED Cc1cc(C(F)(F)F)c(C#N)c(SC(C)C)n1 71816576 RFTJAWZHVRPURQ-UHFFFAOYSA-N 260.284 3.781 30 20 CHED N#Cc1cccc(NC(=O)NC2(c3ccc(F)cc3)CC2)c1 74629017 FLDPQRUMQWPXTF-UHFFFAOYSA-N 295.317 3.508 30 20 CHED Cc1cccc(-c2cncc(C(=O)OCC(C)(C)C#N)c2)c1 180163930 PXQWWCPSDYKCNK-UHFFFAOYSA-N 294.354 3.764 30 20 CHED C[C@@H](CCc1ccccc1)Nc1ccc(C#N)cc1[N+](=O)[O-] 32533589 VZADLUQWGQJFJL-ZDUSSCGKSA-N 295.342 3.900 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1ccc(-c2ccc(C)cc2)o1 417628326 QWAKWYIHZZIVNK-HNNXBMFYSA-N 299.370 3.764 30 20 CHED CCSc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccn1 187789532 XGBPJTZJZJBQCT-ZDUSSCGKSA-N 297.427 3.916 30 20 CHED N#CCC[C@H](NC[C@H]1CC=CCC1)c1ccccc1 125779397 APSJQLKJNGYZAI-RDJZCZTQSA-N 254.377 3.977 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1ccc(C2CC2)cc1 416710128 WPYFDYBVPVUBRE-GFCCVEGCSA-N 258.365 3.500 30 20 CHED CC(C)c1ccccc1OCCNc1ncc(C#N)cc1F 413145769 OLAGMOKTNMKCAZ-UHFFFAOYSA-N 299.349 3.707 30 20 CHED Cc1ccccc1-n1ccnc1S[C@@H](C)CCC#N 188259480 GBPKJYHLIIKUNU-ZDUSSCGKSA-N 271.389 3.965 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(C2CC2)cc1 416676666 CVTXOMXRDSHYEL-QWHCGFSZSA-N 272.392 3.889 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1c1ncc(C#N)cc1F 413274896 USNKFXNVQRYOLI-BBRMVZONSA-N 295.361 3.865 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 37770694 CVRLYLKJQWPNIC-HNNXBMFYSA-N 280.371 3.748 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(-c2ccsc2)n1 129678891 LKDGROUMGZVAIR-JTQLQIEISA-N 277.418 3.606 30 20 CHED C=CCC(C)(C)C(=O)NCc1c(Cl)cccc1OC 506172707 FVFBGHHKNBMXCH-UHFFFAOYSA-N 281.783 3.567 30 20 CHED CSCc1cccc(CNCc2ccc(C#N)cc2)c1 189475592 GNOWNHGKZUCHEQ-UHFFFAOYSA-N 282.412 3.711 30 20 CHED CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(C#N)c1 121119869 HPWIGJGJGFNEBJ-MRXNPFEDSA-N 294.358 3.568 30 20 CHED CCc1cc(Oc2ncccc2C#N)ccc1Cl 37022217 NEWZXZUIXXOJNV-UHFFFAOYSA-N 258.708 3.961 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1csc2c1CC[C@H](C)C2 120701573 SUMHLUMCAPIXGY-MEDUHNTESA-N 290.432 3.541 30 20 CHED C=CC[C@H](CC)NC(=O)c1csc(C(C)(C)C)n1 410124828 YCMHRGKJTVMBEC-JTQLQIEISA-N 266.410 3.525 30 20 CHED C=C[C@H](CC(=O)Nc1cc(O)cc(OC)c1)c1ccccc1 509512539 AEWNJWITDXZAOJ-CYBMUJFWSA-N 297.354 3.699 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2ccc(C)o2)s1 181723483 NMBOHQHAOWMUHQ-SNVBAGLBSA-N 275.329 3.776 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2ccc(F)cc2C1 181406331 DOTSDSOJPLGBQQ-ZDUSSCGKSA-N 290.382 3.638 30 20 CHED CCc1noc(C)c1COc1cc(C)c(C#N)c(C)c1C 506422275 NNXVLBRUZOPYDM-UHFFFAOYSA-N 284.359 3.921 30 20 CHED N#CCc1ccc(CSCCOCC2CCC2)cc1 419655277 VULKEUIKZRLZFU-UHFFFAOYSA-N 275.417 3.803 30 20 CHED C[C@@H](CCC#N)Sc1nnc(Cc2ccccc2F)o1 188311619 HUHYEUZPRBOUKF-JTQLQIEISA-N 291.351 3.584 30 20 CHED CCCOc1c(CN[C@@H](CC)CC#N)cccc1OCC 184088322 BLEOXHNYMMDXEV-HNNXBMFYSA-N 290.407 3.656 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 508593366 FSFSPXSPOQTPEM-UHFFFAOYSA-N 293.710 3.807 30 20 CHED CCN(CCCc1ccccc1Cl)C[C@@H](C)C#N 181649311 HFVDVWKARBZVFJ-ZDUSSCGKSA-N 264.800 3.754 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 182141308 IVSISAYUPHJGPA-UONOGXRCSA-N 288.391 3.988 30 20 CHED C#CC[C@H](OC(=O)/C=C/c1cccc(F)c1)c1ccccn1 73294357 ASAVKGRVSNSJNU-DVQDXYAYSA-N 295.313 3.542 30 20 CHED CC(=O)c1ccc(OCc2cc(C#N)ccc2F)cc1F 223135276 NOTOAPUNWNFUMY-UHFFFAOYSA-N 287.265 3.618 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)c1 41545430 GVJPRLOUBQGTKX-CQSZACIVSA-N 290.322 3.935 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)NCC1(C#N)CCC1 419623254 HWWAVOBOHXIPDR-OAHLLOKOSA-N 299.418 3.691 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNCC1(C#N)CCC1 418145089 WSAYBYCTSPEFAZ-UHFFFAOYSA-N 282.309 3.797 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 609890677 KAGDGEZHPYCEOB-MELADBBJSA-N 255.365 3.724 30 20 CHED C=CC1CCN(Cc2cnc(-c3ccco3)s2)CC1 194394669 ODHARRMACQKVPO-UHFFFAOYSA-N 274.389 3.801 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@H]2c2ccsc2)n1 160613951 WKKXCZJFYFDKHB-AWEZNQCLSA-N 269.373 3.665 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC 425563026 HUGWTPQOMNCURE-UHFFFAOYSA-N 292.335 3.534 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Br)s1 381288595 CJDDFKAHRFDPLT-AEJSXWLSSA-N 299.237 3.853 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)c1c(F)cccc1Cl 191276600 PGJREHMCOFWLHZ-JTQLQIEISA-N 291.757 3.540 30 20 CHED C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C#N)cc2Cl)C1 426135798 IPZPIJXXLUIKLJ-PHIMTYICSA-N 291.782 3.721 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)c2ccsc2)cc1 194615622 ZFIIJKOANDYDRM-QPJJXVBHSA-N 271.341 3.603 30 20 CHED CCc1sc(C(=O)N(C)Cc2cccc(C#N)c2)cc1C 45243918 AVEGRTHKQYNYKK-UHFFFAOYSA-N 298.411 3.763 30 20 CHED OC(C[C@@H]1CCOC1)=Nc1nc2c(s1)CCCCCC2 329825185 IASVQDGFHXSLIZ-NSHDSACASA-N 294.420 3.817 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2CCC[C@@H](C)[C@@H]2C)C1 328757904 VKDIKSVGSXLBQF-PPCPHDFISA-N 266.385 3.523 30 20 CHED O=C1CC[C@@H](/C(O)=N/CC2CCCCC2)n2cccc21 329883816 ROCQMLSNDJWYAF-AWEZNQCLSA-N 274.364 3.543 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cccc(C(C)C)c1 529062303 HIWNJYQRZQZGIV-UHFFFAOYSA-N 272.392 3.756 30 20 CHED CCOc1cccc([C@H](C)Nc2ncccc2C#N)c1 49469420 OMTPNAANBYHTPD-LBPRGKRZSA-N 267.332 3.525 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCC[C@@H](C)C1 425428871 XFRRDSUYWVJJFN-JKIFEVAISA-N 299.418 3.839 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)c1 49371848 LEFLHNDRMSEKJK-FNORWQNLSA-N 288.730 3.950 30 20 CHED C=C(C)COCCNC(=O)c1ccc(SC(C)C)cc1 136153219 GBDIWZGIAHQOPA-UHFFFAOYSA-N 293.432 3.510 30 20 CHED C=C(Br)CNc1cc(Cl)ccc1C#N 80118484 YCOGMPHOUAWJEA-UHFFFAOYSA-N 271.545 3.532 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCC[C@@H]1C 424728814 AWFLSJVXVCQXGS-SMDDNHRTSA-N 256.349 3.632 30 20 CHED C=CCCOCCNCc1ccc(C(F)(F)F)cc1C 191056790 INCQNUOIFYRLEK-UHFFFAOYSA-N 287.325 3.696 30 20 CHED N#CCCNCc1ccc(Oc2cc(F)cc(F)c2)cc1 425998218 GXHWHAQCAMJVME-UHFFFAOYSA-N 288.297 3.760 30 20 CHED Cc1nccc(Oc2ccc(C#N)c3ccccc23)n1 338830463 YWAZVJSPPYPXPY-UHFFFAOYSA-N 261.284 3.602 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 424765674 OPALPOYOUAIBBC-SWLSCSKDSA-N 293.382 3.620 30 20 CHED COC(=O)c1cccc(CSCCCCCF)c1C#N 516636846 XNMXDSHFGPIRAM-UHFFFAOYSA-N 295.379 3.718 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@@H]2C2CC2)cc1C(F)(F)F 230308671 QSCZLPVIIHSXJA-UONOGXRCSA-N 296.292 3.556 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)cc1F 421348325 BEAACKLTBOKFND-SHTZXODSSA-N 298.336 3.872 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H](CC(F)(F)F)C1 420844485 ALZOSGLPXKYWNH-NEPJUHHUSA-N 292.345 3.715 30 20 CHED Cc1cccc([C@@H](Nc2cncc(C#N)n2)C(C)(C)C)c1 420597432 IJTOMOHUJLANHI-MRXNPFEDSA-N 280.375 3.856 30 20 CHED C[C@H](NCc1ccc(C#N)cc1Cl)c1ccncc1F 338347159 WOTISMZSZUAOBF-JTQLQIEISA-N 289.741 3.597 30 20 CHED CC1(C)CCCc2cc(C#N)c(NCc3ccco3)nc21 428101549 JAECUTLYUJGZTF-UHFFFAOYSA-N 281.359 3.772 30 20 CHED CC(C)N(CCC#N)Cc1ccc(OCC2CC2)cc1 519855972 HONBJMLNRWTUGI-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C[C@@H]1CCN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC1(C)C 336010736 MCNYQKVQENZTQU-IUODEOHRSA-N 285.391 3.503 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[C@H](N)C1 420293111 XMVKZBRWLNVQHT-MFKMUULPSA-N 297.324 3.506 30 20 CHED N#Cc1ccc(OCc2ncccc2C(F)(F)F)c(F)c1 428058680 GVDZFELAFLGFIO-UHFFFAOYSA-N 296.223 3.690 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 510322608 VDNOYEJCXRYCDY-ZUZCIYMTSA-N 293.436 3.558 30 20 CHED C=CC[C@@H](C(=O)NCc1ccncc1CC)c1ccccc1 427940594 DPBZBTZZDOZVIO-GOSISDBHSA-N 294.398 3.620 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 232039484 DFRKCSQQZXSNAW-ZCFIWIBFSA-N 275.110 3.621 30 20 CHED CC[C@H](N[C@H](CO)C1CCCCC1)c1ccc(C#N)cc1 517215496 OAVZHJNEKOHYAJ-ZWKOTPCHSA-N 286.419 3.540 30 20 CHED C=CCC[C@H](NC[C@H](CC)N1CCCC1)c1ccco1 514084606 RAVYVCIOUVLPBE-HOTGVXAUSA-N 276.424 3.751 30 20 CHED CCN(C(=O)[C@@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1 334180726 FJNWGWITPGHOGN-CYBMUJFWSA-N 292.329 3.737 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 331067381 QPZRSRSHLPHOAZ-BBRMVZONSA-N 284.403 3.796 30 20 CHED Cc1coc2ccc(NC(=O)N3CCC(CC#N)CC3)cc12 335691781 FDNHLONXSPQUJY-UHFFFAOYSA-N 297.358 3.899 30 20 CHED CC[C@H](C)C[C@H](C)/N=C(/O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 330511110 ISGZYQNVCPAHTD-XQLPTFJDSA-N 298.471 3.908 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1 336040218 ZABFCIMARYVNPU-UHFFFAOYSA-N 295.729 3.530 30 20 CHED N#Cc1cccc(/C=C\c2nc3cc(C(=O)O)ccc3o2)c1 439272144 KKXNNQNDPVKHGB-DAXSKMNVSA-N 290.278 3.568 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1ccnc(C(C)C)n1 432050544 ZQTBKTQHANJBEV-UHFFFAOYSA-N 294.402 3.888 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1ccccc1CC#N 529293566 YURFWPRCSBHRIW-HNNXBMFYSA-N 292.382 3.878 30 20 CHED Cc1cocc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 528710160 YNKWCYWHGRVPMV-DOTOQJQBSA-N 294.354 3.500 30 20 CHED C=CCC[C@H](N[C@H]1CCCN(c2ccccc2)C1)C1CC1 439006230 SZMMGVYJOFYHDE-HKUYNNGSSA-N 284.447 3.990 30 20 CHED C=CCC[C@H](N[C@@H]1CCOc2c(F)cccc21)C1CC1 437090060 AWYHOWBORUXIBJ-JKSUJKDBSA-N 275.367 3.984 30 20 CHED C=CCN(CCC#N)C[C@@H](c1ccccc1)C(C)C 430098818 WWXYYVRTYOSSFH-QGZVFWFLSA-N 256.393 3.828 30 20 CHED CC(C)[C@@H](C)N(C(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 433300232 SOKFUWSLFRMFNH-NVXWUHKLSA-N 298.430 3.794 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 602508823 BHOSNTGFRNAUCT-UONOGXRCSA-N 299.418 3.626 30 20 CHED C=CC1CCN(C(=O)Cc2c(C)oc3ccccc23)CC1 342012821 PFBIGAMJWXHRFE-UHFFFAOYSA-N 283.371 3.708 30 20 CHED N#C[C@@H](Sc1nnc(-c2cc3ccccc3o2)o1)C1CC1 601077944 CVMNUPOBKUIQOM-CYBMUJFWSA-N 297.339 3.877 30 20 CHED Cc1noc([C@H](C)S[C@H](C)c2ccc(C#N)cc2)n1 609824893 CKZQDSLQMVMRSR-ZJUUUORDSA-N 273.361 3.805 30 20 CHED FC(F)(F)c1ccc(NN=Cc2ccncc2)cc1 254766031 PEPGFJAXLRKUCL-UHFFFAOYSA-N 265.238 3.546 30 20 CHED N#Cc1ccnc(Oc2cccc(-n3cccn3)c2)c1Cl 342414596 MJAXUCCIOWONRC-UHFFFAOYSA-N 296.717 3.585 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(C)c(Cl)c1 435732882 RAFVDZQZBGJQIT-GDBMZVCRSA-N 279.811 3.719 30 20 CHED Cc1ccccc1C1(C(=O)NCCCC#N)CCCCC1 342637507 LXFWLPZZSKXNNH-UHFFFAOYSA-N 284.403 3.617 30 20 CHED CC(C)(CCC#N)CNc1ccnc(C(F)(F)F)c1 340909248 ZFQKQBYGRANSLY-UHFFFAOYSA-N 271.286 3.842 30 20 CHED C=CCCC1(C(=O)NCc2ncc(-c3ccccc3)o2)CC1 527249396 BDUJLUNDDYBEGV-UHFFFAOYSA-N 296.370 3.704 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1cc2cscc2s1 528800997 XKMATYDOPYMNQV-LLVKDONJSA-N 278.402 3.631 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C1CC2(CCC2)C1 521877949 ISWHBTZSVNJLFA-UHFFFAOYSA-N 298.386 3.864 30 20 CHED N#CC1(C(=O)Nc2ccc3c(c2)CCC2(CCC2)O3)CCC1 529705243 FIFOTIJFHHILGR-UHFFFAOYSA-N 296.370 3.567 30 20 CHED O=C1/C(=C\c2cccs2)CCOc2ccccc21 255238379 HWAQKCSKAQPLNJ-KHPPLWFESA-N 256.326 3.797 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)c(Br)c1 522660584 DEFMLABGTHVOMX-JTQLQIEISA-N 297.196 3.844 30 20 CHED CSCCCCC(=O)N(CC#N)c1ccc(F)cc1C 602387881 RWQCTSZEZSGORK-UHFFFAOYSA-N 294.395 3.524 30 20 CHED CC1(C)CCC/C(=C/c2csc([N+](=O)[O-])c2)C1=O 255511279 QSKQTEXIMMYZDT-POHAHGRESA-N 265.334 3.819 30 20 CHED CC(C)c1cccc2c1CCN(c1cnccc1C#N)C2 353069151 RJSOEPNCBFFLKX-UHFFFAOYSA-N 277.371 3.639 30 20 CHED CC1(C)C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C(C)(C)O1 352969138 QFVZRSOWPUXXQT-DLBZAZTESA-N 298.430 3.871 30 20 CHED N#Cc1cccc(NC(=O)/C=C\SCc2ccco2)c1 255884025 ZUCIFOGPYIXDIH-VURMDHGXSA-N 284.340 3.537 30 20 CHED C=CCCCC[C@@H](C)NCCc1c(C)noc1C 449129897 WQCIQCYWONPMNB-GFCCVEGCSA-N 250.386 3.558 30 20 CHED C=CCCCC[C@H](C)Nc1ccccc1SCC(N)=O 449047608 RLLLJZWIUQRSNQ-ZDUSSCGKSA-N 292.448 3.811 30 20 CHED C=CCOc1ccccc1CNc1nccc(C(F)F)n1 359514521 QNDDHNPCKMVYFJ-UHFFFAOYSA-N 291.301 3.591 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CSCc2ccccc21 602530538 BKAFVCZHXZYSFQ-IUODEOHRSA-N 260.406 3.504 30 20 CHED CC(C)CSCCN[C@@H](C)c1ccc(C#N)c(F)c1 539606739 NPKQIYSVWLIFIB-LBPRGKRZSA-N 280.412 3.737 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cc(F)ccc2OCC2CC2)C1 442863184 QKEJTUPEYIRKHE-TZMCWYRMSA-N 274.339 3.719 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCc1cc2ccccc2o1 602514032 KLIKNIQVRMEXGH-AWEZNQCLSA-N 298.386 3.621 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)CCC1 358768726 JKTNPJZXOUCYOX-RISCZKNCSA-N 291.341 3.683 30 20 CHED C=CCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 263983175 LNLLVVOVWCPNQF-UHFFFAOYSA-N 286.419 3.602 30 20 CHED C=CCCC1(C(=O)NCc2cc(C(CC)CC)no2)CC1 356196153 AONASRFXFHKYGP-UHFFFAOYSA-N 290.407 3.941 30 20 CHED CN(Cc1ccc(F)cc1C#N)CC1(c2ccccc2)CC1 444680525 POZYRJQZGZPJDC-UHFFFAOYSA-N 294.373 3.861 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(CC)cc1 538263706 DGMCGMCCJKFCPR-UHFFFAOYSA-N 275.392 3.951 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1Cc1cc(C#N)n(C)c1 449391663 YWIJOKSPWOIFLY-ZRGWGRIASA-N 293.414 3.663 30 20 CHED C=CCN(C(=O)[C@@H](C)Sc1ccccc1Cl)C1CC1 537934661 XVLDZQJKOBUQEI-LLVKDONJSA-N 295.835 3.998 30 20 CHED C[C@@H](C(=O)N(C)CC(C)(C)C#N)c1cc2ccccc2o1 353219800 SMZPWABBNXEQNL-GFCCVEGCSA-N 284.359 3.544 30 20 CHED C=C[C@@H](C)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 352755673 NEQAOPKJTNSXDE-LLVKDONJSA-N 295.308 3.555 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1c1cccc(F)c1C#N 611541246 JQCCWBBKDYQXAB-UWVGGRQHSA-N 286.272 3.865 30 20 CHED CCCCc1ccc(NC(=O)N(C)C[C@@H](C)C#N)cc1 264079833 CWLKYOIVYMRPIX-ZDUSSCGKSA-N 273.380 3.653 30 20 CHED Cc1cc(CN[C@@H](C)Cc2ccccc2C)ccc1C#N 443976187 CGUNGIYMMHFLHH-INIZCTEOSA-N 278.399 3.896 30 20 CHED Cc1cccc([C@@H](NCC2(C#N)CC2)C(C)(C)C)c1 539492389 RXXWLDVHXWRSLT-OAHLLOKOSA-N 256.393 3.976 30 20 CHED C[C@@H](C1CC1)N(CC#Cc1cccc(Cl)c1)C1CC1 446765219 NHMJBBNTANZZFH-ZDUSSCGKSA-N 273.807 3.954 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618730484 GSVILDQPQAQLED-QIIPPGSGSA-N 296.414 3.878 30 20 CHED C=CCC1(C(=O)NCc2cc(F)ccc2F)CCCC1 449843829 JGAWYVGVZIRAID-UHFFFAOYSA-N 279.330 3.718 30 20 CHED C=CCC[C@H](CO)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 449698397 NILJJKNBFGCROQ-QZTJIDSGSA-N 289.394 3.678 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(F)ccc1F 353416162 LBKDRKVWPFAAML-UHFFFAOYSA-N 266.335 3.727 30 20 CHED C[C@H](C#N)CNCc1ccc(Oc2ccc(F)cc2)cc1 610708032 XYKIKLHRQNHYFF-CYBMUJFWSA-N 284.334 3.867 30 20 CHED CC(C)CN(C(=O)[C@H](C)c1ccco1)c1ccc(C#N)cc1 610171425 RMXSLOZXQOSBJI-CQSZACIVSA-N 296.370 3.944 30 20 CHED C[C@H]1CCCC[C@@H]1CCNCc1cc(C#N)cs1 531356460 NWGKWTNVAHZANV-GXTWGEPZSA-N 262.422 3.926 30 20 CHED C=CCC[C@H](CC)NCc1csc([C@H](C)OC)n1 268894751 AMPHMGFLMLDLEE-RYUDHWBXSA-N 268.426 3.685 30 20 CHED Cc1ccc(C2(CN[C@H]3CC[C@H](C#N)C3)CC2)c(C)c1 449381940 ZWUBMLUUANAWKW-HOTGVXAUSA-N 268.404 3.617 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2coc(-c3ccccc3)n2)C1 617783855 ILJAQFIHPORTOX-AWEZNQCLSA-N 296.370 3.770 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCC[C@H]1C(C)C 538369642 DOUCHXNRINREOI-CABCVRRESA-N 266.429 3.951 30 20 CHED C[C@@H](CC(=O)N1CCc2ccc(C#N)cc21)CC(C)(C)C 611139554 FPRYOSBHQDSZRG-ZDUSSCGKSA-N 284.403 3.910 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)NCC(C)(C)CC#N 459238432 ODICTNVEWWEZEO-ZDUSSCGKSA-N 279.428 3.536 30 20 CHED N#CCCCC(=O)Nc1ccc(-c2ccco2)cc1F 360487397 GVFMPUIJJGIOSQ-UHFFFAOYSA-N 272.279 3.718 30 20 CHED C=CCCCC[C@H](C)N1CCC[C@]2(CCOC2)C1 453344397 DYJVUOBQOVQMOU-HOTGVXAUSA-N 251.414 3.624 30 20 CHED Cc1ccnc(NC[C@H]2CCCO[C@H]2C(C)(C)C)c1C#N 612080634 YWXMNCRSIGOGFY-UKRRQHHQSA-N 287.407 3.515 30 20 CHED C[C@H](CNCC(C)(C)C#N)c1cccc(Cl)c1 615136364 NUCVVQCFJXECFP-LLVKDONJSA-N 250.773 3.583 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2CCC(F)(F)CC2)C1 617781765 UFYGBUSLGCLLKL-GFCCVEGCSA-N 271.351 3.627 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 459289549 FOPRLWLAXLCUID-IXDOHACOSA-N 284.403 3.573 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cc(C)cc(C#N)c1 455953887 LFGIYIUGVXYQHU-IUODEOHRSA-N 271.364 3.519 30 20 CHED CC(C)(CC#N)CNC(=O)CCCc1ccc(Cl)cc1 457993314 VSEKRBKDTDESJY-UHFFFAOYSA-N 292.810 3.719 30 20 CHED C=CCCc1noc([C@@H](C)c2ccc(F)c(F)c2)n1 453224978 CKYDZHIKWBEIGI-VIFPVBQESA-N 264.275 3.618 30 20 CHED C[C@@H](CN(CCC#N)Cc1cccnc1)c1ccc(F)cc1 275757332 UHAQWYMEBUTXKU-HNNXBMFYSA-N 297.377 3.740 30 20 CHED C[C@]1(c2ccccc2)CCCN(C(=O)CCCC#N)CC1 360595792 LMROQXXXMIAXNM-SFHVURJKSA-N 284.403 3.651 30 20 CHED CCCCS[C@H](C)C(=O)Nc1ccc(C#N)c(F)c1 362283060 BMBFBCPZHUMUMI-SNVBAGLBSA-N 280.368 3.558 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CCC(C)(C)C2)c1 541578947 XYEMZQKPFZHKAR-CQSZACIVSA-N 256.349 3.751 30 20 CHED C[C@H](NCCCC#N)c1cc(Cl)c(N)c(Cl)c1 273275774 PHRYSMKBNNCSSP-QMMMGPOBSA-N 272.179 3.530 30 20 CHED C=CCOCCN1CC[C@H](C)C[C@@H]1c1ccccc1OC 549717948 LVHBBVRJLUNBKK-DOTOQJQBSA-N 289.419 3.671 30 20 CHED N#CC1(C(=O)Nc2cc(F)cc(Cl)c2O)CCCCC1 274504948 AMGOGXABCCVERK-UHFFFAOYSA-N 296.729 3.597 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccc(F)cc1Cl 620857568 AUSJXBJGAVRDQD-UHFFFAOYSA-N 283.774 3.883 30 20 CHED C[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1nccs1 273452104 OWPQKNRKRYFVOD-QWRGUYRKSA-N 289.379 3.608 30 20 CHED CC[C@@H](N[C@@H](C)CC(C)(C)OC)c1ccc(C#N)cc1 278690975 KJZMPRYNAOVSMY-XJKSGUPXSA-N 274.408 3.803 30 20 CHED C=CCc1cc(CN2CC3(CCCC3)C2)cc(OC)c1O 362309244 PFDKPHFZDYAAJY-UHFFFAOYSA-N 287.403 3.505 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)NCC(C)(C)CCC#N)C1(C)C 457811487 QCPVFUYZJHRRDL-GUYCJALGSA-N 278.440 3.895 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)CC(C)(C)C1 542402325 TXPUGVPENSHIEE-GFCCVEGCSA-N 285.391 3.767 30 20 CHED Cc1ccc2c(c1)CN([C@H](C)c1ccc(C#N)cc1)C2 361602062 LXGJNNUOSHPCCQ-CQSZACIVSA-N 262.356 3.944 30 20 CHED CCC1(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1 453298364 SPAOCLHLXDNUHT-MRXNPFEDSA-N 254.377 3.858 30 20 CHED COc1c(OC[C@@H](C#N)CCC#N)ccc2ccccc12 453012061 IKGFKYAREQHHIM-CYBMUJFWSA-N 280.327 3.671 30 20 CHED CC[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 278383231 DGTMNVASYARSAP-IAGOWNOFSA-N 284.403 3.701 30 20 CHED C#CCCCC(=O)N(C)c1ccc(C)c(Br)c1 277389255 DMQIFTBZWHUEPB-UHFFFAOYSA-N 294.192 3.524 30 20 CHED C=CCCC(C)(C)NC(=O)c1csc(C)c1C 620857913 OIGDDKBJXDNGIP-UHFFFAOYSA-N 251.395 3.840 30 20 CHED CC(C)(C)c1cnc(CNc2cccc(C#N)c2)s1 279204494 VHXFAZRISWCERW-UHFFFAOYSA-N 271.389 3.924 30 20 CHED C=CCCCCCN1CCC2(CCOCC2)[C@H]1C 373239574 DKYZQOXCYZPSBO-OAHLLOKOSA-N 251.414 3.624 30 20 CHED CC(C)(C#N)CC(=O)Nc1ncc(-c2ccccc2)s1 278641167 ZCRKGHAIUUZGSG-UHFFFAOYSA-N 285.372 3.688 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](CC(C)C)C1 466378500 NWMWZYDKIGCIJR-LSDHHAIUSA-N 266.429 3.809 30 20 CHED CC(C)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 463296393 TYJNSJWCWLYPCP-RDJZCZTQSA-N 256.393 3.982 30 20 CHED N#CC1(C(=O)Oc2cnc3ccc(F)cc3c2)CCCCC1 282669219 GWEPSYWUBZJANI-UHFFFAOYSA-N 298.317 3.753 30 20 CHED C=CCC[C@@H](NC[C@H](C)Cn1ccnc1C)c1ccco1 286017611 JNNMNZXCUGLAMB-GOEBONIOSA-N 287.407 3.718 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)CC)cc1 626729462 JUDDJRHNPXKEOL-CYBMUJFWSA-N 274.364 3.756 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2ccccc2C)CCCCC1 465142871 ALNNKIFWEDYCOB-OAHLLOKOSA-N 271.404 3.888 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](C(C)(C)C)CC1 280739165 WPKWMGBAHKAEOR-CYBMUJFWSA-N 288.391 3.748 30 20 CHED C=CCOc1ccc(CNCc2cn(C(C)C)nc2C)cc1 285572125 NUEBUQIXRRGMMC-UHFFFAOYSA-N 299.418 3.627 30 20 CHED Cc1coc(C)c1C(=O)N[C@H](CCC#N)c1ccccc1 285271138 MTEWQKWINCQNJX-OAHLLOKOSA-N 282.343 3.671 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(OCCC(C)C)cc1 465240272 CFKNKNCMKSXMHH-ZDUSSCGKSA-N 276.380 3.808 30 20 CHED CC(C)(C#N)CCOc1ccc2c(c1)C(=O)CC(C)(C)O2 281832501 IKJXKEHLOFZMRP-UHFFFAOYSA-N 287.359 3.749 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccccc1 280537585 CPZSYQJGWOEKLF-ZACQAIPSSA-N 259.393 3.709 30 20 CHED N#Cc1cc(=N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc[nH]1 553517267 MWEGBSMNPLBVQY-MRXNPFEDSA-N 293.345 3.562 30 20 CHED C=CCCCCCCNC(=O)c1ccc(F)cc1F 805218293 VMGVXGPHFKANEJ-UHFFFAOYSA-N 267.319 3.831 30 20 CHED N#Cc1ccc(CNc2ccnc(Cl)c2)cc1Cl 800884905 ZKALYABNGKLMGU-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=CCCCCNC(=O)CCSc1ccc(OC)cc1 471686473 SYNZHYOEAUUEQN-UHFFFAOYSA-N 293.432 3.650 30 20 CHED C=CCCCCCCNC(=O)c1cc(C(C)C)no1 805217870 MTBSSRYGAHGMIV-UHFFFAOYSA-N 264.369 3.664 30 20 CHED C=C(CNC(=O)N1CCC(F)(F)C[C@H]1C)c1ccccc1 637147034 AMXWOYWJAHNZEX-CYBMUJFWSA-N 294.345 3.529 30 20 CHED C[C@@H]1/C(=C\c2cnc3ccccn23)C(=O)c2ccccc21 809155830 GRXPGROUNGACNS-SEJMYLSOSA-N 274.323 3.718 30 20 CHED CC(C)Sc1ccc([C@@H](C)NCCO[C@H](C)C#N)cc1 801937503 OQTPZPOGPXEBGD-ZIAGYGMSSA-N 292.448 3.766 30 20 CHED C=CCCCCNC(=O)Nc1ccc2oc(CC)nc2c1 473700448 RMCUGNMJTCHKKV-UHFFFAOYSA-N 287.363 3.868 30 20 CHED C#C[C@H](NC(=O)[C@@H]1CCc2c(Cl)cccc21)C(C)(C)C 807882453 QAFHDWUBZXVJIO-HIFRSBDPSA-N 289.806 3.534 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC1(C)CCCCCC1 474150817 KMCQDGDSZMFVPS-QGZVFWFLSA-N 281.440 3.692 30 20 CHED N#CCCCC(=O)Nc1ccc2c3c(cccc13)CC2 291198371 PUTZFRTUGXFAEN-UHFFFAOYSA-N 264.328 3.571 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)cc(C)n1 800898843 AEEUXPRFGNMMCG-UHFFFAOYSA-N 260.381 3.517 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)CCCCCC#N)n1 805891154 LHIOXFMCHIZMKB-GFCCVEGCSA-N 289.404 3.917 30 20 CHED Clc1ccccc1C=NN=c1cc[nH]c2ccccc12 299810731 YJGLZYNAYJCSRA-UHFFFAOYSA-N 281.746 3.756 30 20 CHED C=C(C)[C@H](NC(=O)NCC=C(C)C)c1ccc(F)c(F)c1 479776270 SUVDJDVWCPPWSJ-HNNXBMFYSA-N 294.345 3.847 30 20 CHED C[C@H](C#N)OCCS[C@@H]1CCCc2ccccc21 801657450 KPSVKRXKGHGZHV-IUODEOHRSA-N 261.390 3.726 30 20 CHED C=CCCc1noc([C@@H]2C[C@@H]2c2ccc(F)cc2)n1 297482185 ZIQMNSOVIGKVSE-CHWSQXEVSA-N 258.296 3.598 30 20 CHED COc1ccc2cc(CN(C)[C@H](C)CCC#N)ccc2c1 297713635 BLUPQRKWHWBTDN-CQSZACIVSA-N 282.387 3.972 30 20 CHED C=CCOc1ccccc1CNC(=O)N(CCC)C(C)C 566805494 REYHUTKPRKLKPS-UHFFFAOYSA-N 290.407 3.581 30 20 CHED C#Cc1ccc(CN(C)[C@@H](CC)c2ccncc2)cc1 290296596 AWZGXWBEGWCMMG-SFHVURJKSA-N 264.372 3.646 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 479768678 CUQKVKBUTFFOGC-ZDUSSCGKSA-N 289.272 3.902 30 20 CHED C[C@@H](CC(=O)OCCCSCC#N)c1cccc(F)c1 805455742 LGDZLNIPSLJRPL-LBPRGKRZSA-N 295.379 3.509 30 20 CHED C=CCOCCCN1CC[C@@](C)(c2ccc(C)cc2)C1 470874936 YECUDZKRRAVDGW-GOSISDBHSA-N 273.420 3.551 30 20 CHED C#C[C@H](C)N[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 809683930 LDQPKNBCJNTYDS-CORIIIEPSA-N 281.321 3.953 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 475397145 QKIKSVJPDUVJFE-ZBFHGGJFSA-N 290.382 3.679 30 20 CHED CCCN(Cc1ccc(F)cc1)C(=O)C1(C#N)CC(C)C1 562296003 KLPVQAJKSAMFHS-UHFFFAOYSA-N 288.366 3.504 30 20 CHED C=CCC(C)(C)CNC(=O)CO[C@@H]1CCCC[C@@H]1CC 489795238 ICFIVAXTFBBALP-LSDHHAIUSA-N 281.440 3.690 30 20 CHED CCN(CC1(OC)CCCC1)[C@H](C)c1ccc(C#N)cc1 483170729 UAAYJSZMSGJXHA-OAHLLOKOSA-N 286.419 3.900 30 20 CHED CCCCC[C@H]1CCCN1C(=O)c1cccc(C#N)c1 489377239 ZCNDMPWGBBWHOO-INIZCTEOSA-N 270.376 3.743 30 20 CHED Cc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc1F 811696395 SWMOMAQMRWIJFN-UUASQNMZSA-N 277.298 3.828 30 20 CHED C=CCN(CCOC)Cc1ccc(C(F)(F)F)cc1C 483433190 STGIJKDMPGUMJW-UHFFFAOYSA-N 287.325 3.648 30 20 CHED c1cc2sccc2c(NN=C2C[C@H]3CC[C@H]2C3)n1 814808854 JNKVBGQSJCWDCB-UWVGGRQHSA-N 257.362 3.884 30 20 CHED CCCC[C@H](S[C@@H](C#N)c1ccccc1)C(=O)OC 568270435 FJFMVRNHYINFRP-KBPBESRZSA-N 277.389 3.716 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CS[C@H](C(C)(C)C)C1 488588323 KSZHQJIKWMSFPG-WFASDCNBSA-N 290.432 3.899 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc2[nH]ccc2c1 811649453 NIUQUQLDHQWOBM-UHFFFAOYSA-N 279.347 3.527 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(F)cc1C#N 489567982 RCYNWJRLGKJNGI-UHFFFAOYSA-N 282.362 3.762 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)c1ccc(CC)cc1 488849831 FGYLCNYLBBRMOT-RHSMWYFYSA-N 271.404 3.920 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NOCC(C)C 814883903 GWKMUOHEGLKUHE-DOTOQJQBSA-N 275.392 3.998 30 20 CHED N#CCC1(OC(=O)c2cc3c(s2)CCCC3)CCC1 810857239 NVFXRFQUTKGIPS-UHFFFAOYSA-N 275.373 3.620 30 20 CHED CC1(C)CC(=NO[C@@H]2CCCCO2)c2sccc2O1 814886884 GGFGFDLQLIMZKA-GFCCVEGCSA-N 281.377 3.557 30 20 CHED C[C@@H](CCNC[C@@H](O)c1ccc(C#N)cc1)CC(C)(C)C 819254998 VWFRELBPUBURDX-WMLDXEAASA-N 288.435 3.644 30 20 CHED C=CCn1c(CCCC)nnc1N(C)C1CCCCC1 573488450 JFRDCYPXFAWOEL-UHFFFAOYSA-N 276.428 3.576 30 20 CHED CC(CCc1ccc(F)cc1F)=NOCC1CC1 814242219 VTBIMMCTSDNLBN-UHFFFAOYSA-N 253.292 3.700 30 20 CHED CCCC[C@@H](CC)CC(=O)N(CCC#N)CC(F)(F)F 482661945 XKXYLGXWSREDPK-GFCCVEGCSA-N 292.345 3.897 30 20 CHED Cc1sc2ncnc(NN=CCC(F)(F)F)c2c1C 817323867 KGNIOGIFEFYZFQ-UHFFFAOYSA-N 288.298 3.658 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(NC(=O)C2CC2)cc1 819124390 TYIOFMOKEGYLKD-UHFFFAOYSA-N 287.359 3.543 30 20 CHED CCCC(=CC(=O)N(C)CC(C)(C)C#N)CCC 817605245 PKBDQUKACVEQII-UHFFFAOYSA-N 250.386 3.521 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@](C)(CC)c1ccccc1 812984128 SYVRXOYNDUVZPB-FQEVSTJZSA-N 291.394 3.652 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)c1ccnc(O)c1 815642551 GDBGHPQXIZQWBW-KGLIPLIRSA-N 262.397 3.963 30 20 CHED C[C@@H]1CC(=O)c2c(OCC3(C#N)CCC3)ccc(F)c21 578428553 MUZJDOMZHSTRET-SNVBAGLBSA-N 273.307 3.588 30 20 CHED C#CCC1(OC(=O)Cc2c[nH]c3c(C)cccc23)CCC1 810749718 QTAHVBQXYKCBCZ-UHFFFAOYSA-N 281.355 3.508 30 20 CHED C=CCc1ccc(OCCC(F)(F)F)c(OC)c1 577241182 PRGSSNIQZHTKPN-UHFFFAOYSA-N 260.255 3.755 30 20 CHED CCc1noc([C@@H](C)Sc2ccc(C#N)c(C)c2)n1 578131439 AQUXEVNQWFFHGB-SNVBAGLBSA-N 273.361 3.665 30 20 CHED C=CCCCCNc1cccc(C(=O)N2CCCC2)c1C 579918046 KICARBZFSSBQBY-UHFFFAOYSA-N 286.419 3.999 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1nccc2ccccc12 577666758 JVRKTGMGCLQZJD-CQSZACIVSA-N 287.366 3.957 30 20 CHED C=CCn1c(=S)n(CN2CC[C@@H](C)C2)c2ccccc21 725779666 UBZSRTVCSJPXBP-CYBMUJFWSA-N 287.432 3.658 30 20 CHED C=CCCc1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 651356873 DVNKWXQSUOLNAS-UHFFFAOYSA-N 293.754 3.691 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CSc2ccccc21 664162541 SJLVNFPZQDUZSA-CYBMUJFWSA-N 290.432 3.877 30 20 CHED CC(C)C[C@H](C)OC(=O)N(C)c1cccc(C#N)c1 496703548 STRYYGAAEPZDEL-LBPRGKRZSA-N 260.337 3.566 30 20 CHED C#C[C@@H](N[C@@H](C)C1CCOCC1)c1ccc(Cl)cc1F 491473264 BZNDJJKIBILIRA-MEDUHNTESA-N 295.785 3.558 30 20 CHED CC(C)(CCC#N)CNc1cccc(NC(=O)O)c1 826541918 AWAGVCHSGDXKHO-UHFFFAOYSA-N 261.325 3.518 30 20 CHED C=CCC[C@@H](CC)Nc1cccc(N2CCNC2=O)c1C 494530670 UVJGFDZQEGQODK-CQSZACIVSA-N 287.407 3.681 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1ccsc1 729152041 ZUKKTFNUPXHXKX-BJMVGYQFSA-N 260.289 3.546 30 20 CHED C=CCCCC[C@H](C)Nc1cccc(OC(=O)NC)c1 824428834 VUOHKSQMESSFLP-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED CC1(C)CCC[C@H](NC(=O)CCCCCC#N)C1 588164894 YWUVWCJSWIOXLW-ZDUSSCGKSA-N 250.386 3.545 30 20 CHED CC(C)COc1ccc(C=NNc2ccccn2)cc1 730142145 PWKUWKXJSHBEIA-UHFFFAOYSA-N 269.348 3.562 30 20 CHED C=CC[C@H](CC)NC(=O)NCC(C)(C)c1ccccc1F 494697132 NXMPZXRIAZPJPL-ZDUSSCGKSA-N 292.398 3.757 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccc(Cl)s2)no1 904688503 BWBHXRCHOBFDMH-MRVPVSSYSA-N 283.784 3.808 30 20 CHED COc1ccc([C@@H](C)NCC2(C#N)CCC2)c(Cl)c1 903034957 HAUPJSHXNPQVBO-LLVKDONJSA-N 278.783 3.693 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)NCC(C)(C)CCC#N 491995249 DSVXYTMQFWYGHM-HUUCEWRRSA-N 293.455 3.974 30 20 CHED C=CCCN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 499890072 WUDJOWTWIVEEKV-AWEZNQCLSA-N 278.827 3.595 30 20 CHED FC(F)(F)Cc1ncc(C=NNC2CCCCC2)s1 901228387 XESNFVPLBCVHMB-UHFFFAOYSA-N 291.342 3.504 30 20 CHED C=CCCN(C)C(=O)c1cc2cccc(C)c2nc1Cl 839332066 KSRXFYFWVCXGQX-UHFFFAOYSA-N 288.778 3.845 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C)(C)CC 588367208 WTROUCCWDVTQIW-UHFFFAOYSA-N 263.356 3.777 30 20 CHED C=C(Cl)CNC(=O)C1(c2ccc(F)cc2)CCCC1 736242614 PIHANFGQTNPUHR-UHFFFAOYSA-N 281.758 3.506 30 20 CHED CO[C@H](C=NOC1CCCCC1)Cc1ccccc1 834973209 UHEOUVJARBEHCM-INIZCTEOSA-N 261.365 3.579 30 20 CHED CCC(Cc1cccs1)=NNC(=S)NCCC(C)C 730947609 ZKBSYTGPFVVYBE-UHFFFAOYSA-N 297.493 3.567 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCc2sc(Cl)cc21 583116629 RFODSXSNWADISN-WPRPVWTQSA-N 284.812 3.653 30 20 CHED CC(C)n1cncc1/C=C1/CCOc2ccccc2C1=O 901472613 OKWGTLVIMCTRKA-LCYFTJDESA-N 282.343 3.513 30 20 CHED CCCCCCCOC(=O)c1cc(C(C)C)no1 733831903 GKTBTONDYGCLIS-UHFFFAOYSA-N 253.342 3.925 30 20 CHED CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc(F)ccc1OC 903370819 KOQOWYBTKNXJED-WHOFXGATSA-N 276.355 3.567 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1ccc(F)c(C#N)c1 589326752 ANEJICFMGBJMFR-LLVKDONJSA-N 277.343 3.740 30 20 CHED CC(C)CN(CCC#N)Cc1ccccc1OC(C)C 739915448 ZUJWZZBCWQVYQW-UHFFFAOYSA-N 274.408 3.845 30 20 CHED C=CCCCCCN(C)C[C@@H](O)c1c(F)cccc1F 739932206 YMRLTHLUJQUILZ-OAHLLOKOSA-N 283.362 3.676 30 20 CHED N#C[C@@]1(C(=O)OC/C=C/c2ccccc2)CC12CCCC2 837908224 SPWQRPWKQHXJIX-AHKGRUIUSA-N 281.355 3.717 30 20 CHED CC(C(=O)Nc1sc2c(c1C#N)CCCC2)=C1CCC1 839213461 ALVQARNSVHSVML-UHFFFAOYSA-N 286.400 3.937 30 20 CHED Cc1cc(C=NNCc2ccc(C(F)(F)F)cc2)c(C)[nH]1 915972154 IHQTWIMORUEGFN-UHFFFAOYSA-N 295.308 3.774 30 20 CHED Fc1ccc(CON=C2CCOc3ccccc32)cc1F 735488164 HLBNXIQAXIAZMB-UHFFFAOYSA-N 289.281 3.668 30 20 CHED COC1(CON=C(c2ccccc2)C(F)(F)F)CCC1 837630365 PDAQJDIQVVWIID-UHFFFAOYSA-N 287.281 3.539 30 20 CHED CC(C)[C@H]1N(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1(C)C 594365208 YIQPZFZRQATQJH-WMLDXEAASA-N 298.430 3.630 30 20 CHED CC(C)(C#N)CCCCN[C@H](CCO)c1ccccc1F 592159940 HSSVCQWOFMJJJN-MRXNPFEDSA-N 292.398 3.559 30 20 CHED C=C(C)CCNC(=O)N(CCCC)Cc1ccccc1O 838659238 DDSUQXYXHBUNPH-UHFFFAOYSA-N 290.407 3.670 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 590673272 YRWAFNXDGGDBSX-YSVLISHTSA-N 284.403 3.952 30 20 CHED FC1(F)CCC(=NNc2nccnc2C2CCC2)CC1 842533623 RWFAGBLJRRKTTP-UHFFFAOYSA-N 280.322 3.721 30 20 CHED C=C(Cl)CN1C[C@H](C)C[C@H]1c1ccccc1F 743855917 BPTXIOXGIBDFQK-YGRLFVJLSA-N 253.748 3.961 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)N[C@@H](CC)CCC 743201838 NXCOFEUZLGZIIO-ZDUSSCGKSA-N 292.354 3.538 30 20 CHED CC(=NNc1nc(-c2ccc(Cl)cc2)no1)C1CCC1 747631914 XYKBTNOLERIOIS-UHFFFAOYSA-N 290.754 3.978 30 20 CHED Cc1ccc(C=NNc2nc3ccccc3n2C)cc1C 915967185 DQHJHJGNMUFTPS-UHFFFAOYSA-N 278.359 3.636 30 20 CHED CCCC(=O)Nc1cccc(NCC2(CC#N)CC2)c1C 594699755 BVAKLHVVQPBDRF-UHFFFAOYSA-N 285.391 3.839 30 20 CHED CCc1cccc2cc(CN(C)C[C@H](C)C#N)oc12 596990908 GRYGMZFDRFNEAK-GFCCVEGCSA-N 256.349 3.587 30 20 CHED Cc1cc(C)cc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 595073702 YZQLEXLVANVTNE-LJQANCHMSA-N 276.383 3.952 30 20 CHED C=C[C@@H](C)ONC(=O)N(CCC)[C@H]1CCc2ccccc21 845633946 PYIYAGYKOZQTLO-CJNGLKHVSA-N 288.391 3.602 30 20 CHED CCCn1cccc1C=NNCc1cccc2cccnc12 918151816 BGVPRJAPMAWYGI-UHFFFAOYSA-N 292.386 3.570 30 20 CHED CCCCCCCCCN1C(=O)NC2(CCCC2)C1=O 915658748 DLSYVUCBNPGWGU-UHFFFAOYSA-N 280.412 3.602 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C=C1CCCCC1 741644289 VOSWDKZVFBULFK-UHFFFAOYSA-N 287.334 3.667 30 20 CHED CCCCCCCC(=O)NC[C@@H](c1ccsc1)N(C)C 914496204 MNZCJDPLNAOZEV-HNNXBMFYSA-N 296.480 3.828 30 20 CHED CC(C)Cn1nccc1/C=C1/CCc2sccc2C1=O 843267608 BFVPUMGKDQGGJV-XFXZXTDPSA-N 286.400 3.813 30 20 CHED Cc1cc(NC(=O)N(C)CC(C)(C)C#N)ccc1Cl 594189894 YJUAHMPIQNFGMP-UHFFFAOYSA-N 279.771 3.662 30 20 CHED C[C@H](OC(=O)CCCc1c(F)cccc1F)C(C)(C)C#N 847667698 KXWBPILFTCCNGE-NSHDSACASA-N 295.329 3.769 30 20 CHED COc1cc(C(C)=NNc2ccccc2Cl)ccc1O 916262804 ZSMQBDBLTHQEOJ-UHFFFAOYSA-N 290.750 3.890 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1C[C@H]1c1ccc(F)cc1F 599177686 TXUOLKGEKUFADR-DZGCQCFKSA-N 285.297 3.508 30 20 CHED CC1(C)C(=NNc2ccccc2Cl)[C@H]2CCCO[C@H]21 743420365 FLZAFBHQANFDFX-QMTHXVAHSA-N 278.783 3.943 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](CC)c1ccc(C)cc1 743463332 VMWORKISWGQCPQ-GDBMZVCRSA-N 276.376 3.971 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C2(F)CCCC2)cc1 847046491 YMIFLRODQAGRPP-HNNXBMFYSA-N 288.366 3.554 30 20 CHED COc1ccc(O)c(/C=N\C[C@H](C)c2ccccc2)c1 920943903 DPERTFFJJXRRAL-CYUIRQCWSA-N 269.344 3.623 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H](SC)C(C)(C)C)c1 752467647 OHUXVEGKOWAMHT-CQSZACIVSA-N 290.432 3.567 30 20 CHED CCCn1nccc1/C=C\C(=O)c1cc(C)cc(C)c1 853006031 ODGIEXOTMZCUGI-WAYWQWQTSA-N 268.360 3.806 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1cccc(C#N)c1C 857598421 ONPIPMCXHTWECE-OAHLLOKOSA-N 262.328 3.724 30 20 CHED C=CCSCCNC(=O)/C(C)=C/c1ccccc1Cl 755729364 ACLIWCGUEXKPKP-VAWYXSNFSA-N 295.835 3.779 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C1/CC[C@@H](C)C1 753581905 GLAVLECCWVGYQA-WIZMWCRPSA-N 299.414 3.956 30 20 CHED C=CCc1cc(CN2CCC[C@@H]2CC)c(O)c(OC)c1 754726419 HTRVAVRQDVXGBZ-HNNXBMFYSA-N 275.392 3.504 30 20 CHED C=C(C)CN(CC)C(=O)NCCCCCCSC 753261711 OVAVZWZJKMLXGB-UHFFFAOYSA-N 272.458 3.517 30 20 CHED CC(CC(C)(C)C#N)=NNc1cc(F)cc(F)c1 853291952 LOIPAUVJEOESTA-UHFFFAOYSA-N 251.280 3.692 30 20 CHED C#CC[C@H](NC(=O)N(C)C1CCC(C)CC1)c1ccccc1 757772907 SSVGVQCJUVQLNG-VJFUWPCTSA-N 298.430 3.971 30 20 CHED CC1CCC(COC(=O)c2ccc(C#N)s2)CC1 754837428 SWUMGZTZHNLYSY-UHFFFAOYSA-N 263.362 3.603 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)CCc2c(O)cccc21 755599491 BVKCFIGRXLAUHD-IZZDOVSWSA-N 286.277 3.883 30 20 CHED CC(CCCCNC(=O)OC(C)(C)C)=NOCC1CCC1 853440647 HLEBNCSYQDGQLT-UHFFFAOYSA-N 298.427 3.874 30 20 CHED Cc1ccccc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1F 752873354 DACDXCIWEUIBQD-TWGQIWQCSA-N 285.274 3.938 30 20 CHED C=C[C@@H](OC(=O)CC[C@@H](C)SC)c1ccccc1 851451243 GGODPKRARACMAA-TZMCWYRMSA-N 264.390 3.989 30 20 CHED C(=NNC1CCOCC1)C(c1ccccc1)c1ccccc1 757585541 MKOCTIFYEFPYOH-UHFFFAOYSA-N 294.398 3.573 30 20 CHED C[C@H](OC(=O)c1csc(C(C)(C)C)n1)C(C)(C)C#N 753613687 PUEXHTCCMIQTAH-VIFPVBQESA-N 280.393 3.536 30 20 CHED C[C@H](C=NNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 756871870 DKGWCPUYYOQKRM-LLVKDONJSA-N 287.294 3.935 30 20 CHED COc1ccc(CC[C@H](C)/N=C/c2cccc(O)c2O)cc1 921260532 AOYJIRVXRVWUPD-HCZVKUGISA-N 299.370 3.547 30 20 CHED O=C(/C=C/c1cccs1)c1cc(F)ccc1[N+](=O)[O-] 752876211 XAVWKNOIZSYZQU-GQCTYLIASA-N 277.276 3.692 30 20 CHED CCCC[C@](C)(F)C(=O)OC[C@@H](C#N)Cc1ccccc1 850882309 OFZMQEQIYAKURZ-WBVHZDCISA-N 291.366 3.830 30 20 CHED N#Cc1cc(Cl)ccc1CN[C@@H](c1ccccn1)C1CC1 932384310 RJNYCKDQFWQNGN-QGZVFWFLSA-N 297.789 3.848 30 20 CHED CCCn1nccc1/C=C1/COc2ccc(C)c(C)c2C1=O 853006609 WEAQNZFPPHZILI-UVTDQMKNSA-N 296.370 3.569 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 860189603 KJTVFRBIRNYAGE-XEZPLFJOSA-N 263.381 3.686 30 20 CHED CC(C)c1nc(/C=C\C(=O)c2cccnc2)c2ccccn12 762605602 RZTVALKNFLWPCB-HJWRWDBZSA-N 291.354 3.749 30 20 CHED CCc1oc2ccccc2c1CC(=O)O[C@H](CC)CC#N 860694632 KAMOZKFKNODNQT-GFCCVEGCSA-N 285.343 3.773 30 20 CHED Cc1cccc(C)c1CNc1ccc(Cl)c(C#N)n1 765599415 FUBWUQOBGUSYID-UHFFFAOYSA-N 271.751 3.836 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)C1CC(F)(F)C1 863124472 WQDVTENLIWMIRU-UHFFFAOYSA-N 282.290 3.526 30 20 CHED FC(F)(F)CON=C1CCC[C@@H]1c1ccccc1 764835307 KMOYVLJHRFSZOT-LLVKDONJSA-N 257.255 3.889 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 765630185 SOBDCWLHHVIQBQ-TXPKVOOTSA-N 297.398 3.762 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(C#N)c(C)c1)C2=O 766489235 CJXKXQRKMXZKIJ-OQLLNIDSSA-N 289.334 3.698 30 20 CHED CC(C)(C#N)CCCCSC[C@@H]1CC2(CC2)C(=O)O1 766819990 FMFARWPOTSRKBX-LBPRGKRZSA-N 281.421 3.535 30 20 CHED CCC/C=C/C(=O)OCc1ccccc1C(C)(C)C#N 768006897 FFDOQYCQWQUNOQ-IZZDOVSWSA-N 271.360 3.887 30 20 CHED C=CCOc1cccc(CN(CCC#N)CC(C)C)c1 768154387 SITKNYUSGCKGHW-UHFFFAOYSA-N 272.392 3.623 30 20 CHED CCCC(Cc1ccccc1)=NNc1ccc(C(=O)O)cn1 763371131 ZXICOLMAYVJTJO-UHFFFAOYSA-N 297.358 3.591 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H](c1cccc(Cl)c1)C(C)C 767231498 DTAHYHGPLJGTPO-SWLSCSKDSA-N 277.795 3.560 30 20 CHED CC#CCCCCOC(=O)c1cccc2cc[nH]c12 768113555 RTVFLKUKGSUVON-UHFFFAOYSA-N 255.317 3.518 30 20 CHED C#CCCN(C/C=C\c1ccc(F)cc1)CC(F)(F)F 768533605 GZBPMFCYEUUULS-PLNGDYQASA-N 285.284 3.727 30 20 CHED C[C@@H](OC(=O)C1(C)CCCC1)c1cccc(C#N)c1 764616142 ZNODAIOUPHDTCS-GFCCVEGCSA-N 257.333 3.743 30 20 CHED Cc1cc(CN[C@H](C)c2cccc(C#N)c2)c(C)o1 767374604 VEJHXDBFCBLEPJ-GFCCVEGCSA-N 254.333 3.619 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1cccc(F)c1F 1116931081 WJAJAJFSBVJUKC-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSCc1csc(C)n1 1116474334 DCYDJJRAYSXCEW-LLVKDONJSA-N 298.477 3.546 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=Cc1ccccc1C#N 777447273 FLFYFQGAHBPCKC-LJQANCHMSA-N 291.398 3.749 30 20 CHED C=C(CC)COC(=O)c1cc2ccccc2nc1C 773455595 DMDCUUJRBWISNM-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C#CCCCCCC(=O)NCC1(c2ccccc2)CCC1 779877675 OESSPWZPUALDOI-UHFFFAOYSA-N 283.415 3.808 30 20 CHED CN(C(=O)[C@H]1CC=CCC1)c1ccc(C#N)c(Cl)c1 876165794 CIADPAGCFUYOQU-NSHDSACASA-N 274.751 3.531 30 20 CHED C=CCCOC(=O)c1ccccc1COC(C)(C)C 773704395 ILNSEEUTRBIARY-UHFFFAOYSA-N 262.349 3.735 30 20 CHED Fc1ccc(CNN=Cc2c(F)cccc2Cl)cc1 1116288384 MALZNVDPMVURDZ-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1ccc(OC)cc1 776203261 ORUVCQDXIZUZPB-LBPRGKRZSA-N 278.421 3.726 30 20 CHED N#Cc1cccc(C(=O)O[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 771011734 UIZOYYJXDTXRJE-IJEWVQPXSA-N 269.344 3.684 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(Oc2cccnc2)c(C)c1 775184023 SOBYFLWWHRDNAB-OAHLLOKOSA-N 280.371 3.636 30 20 CHED c1ccc2cc(OCCON=C3CCCOCC3)ccc2c1 778601814 PVUNUGLRCDQPOO-UHFFFAOYSA-N 299.370 3.792 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)OCC2(C#N)CC2)cc1 775841642 XIYCIZMAJPIQJC-RMKNXTFCSA-N 283.371 3.844 30 20 CHED Cc1nc(C#N)c(NN=C(CC2CCC2)c2ccccc2)o1 776181204 UMRWNGPXWUUUIS-UHFFFAOYSA-N 294.358 3.861 30 20 CHED Cn1ccnc1[C@H](C#N)C(=O)c1ccc(C2CCCC2)cc1 1122608901 FPBSPINHLGUDKG-MRXNPFEDSA-N 293.370 3.568 30 20 CHED COc1ccc([C@H](C)OC(=O)c2cccc(F)c2C#N)cc1 777765675 MUBSHDCMKAGWJP-NSHDSACASA-N 299.301 3.624 30 20 CHED C#CCOc1ccccc1NCc1ccc(C)c(OC)c1 775012330 GEJIZQJNDQHXOM-UHFFFAOYSA-N 281.355 3.628 30 20 CHED C#C[C@H](N[C@H](C)c1cccc(Cl)c1Cl)[C@H]1CCCO1 775572641 BYXFLLGNQNPRBC-DDTOSNHZSA-N 298.213 3.825 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ncc(Cl)cc2Cl)C1 1120756706 NQDOMGCGSMODLS-SNVBAGLBSA-N 299.201 3.817 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccccc2Cl)c1 1129715601 KRNUXHXLLQZBKA-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC(C)n1cc2c(n1)[C@H](Nc1cccc(F)c1C#N)CCC2 780396986 HEHQARNDTXNCML-MRXNPFEDSA-N 298.365 3.964 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(N3C[C@H]4C[C@H]4C3)c2c1 884589659 GHNGKWUSZYKTBW-PHIMTYICSA-N 283.762 3.524 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@@H](C)SC)c1cccs1 1123011160 WJRHEMFWFURDBD-CKYFFXLPSA-N 283.418 3.634 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cnc(C2CC2)s1 782287496 LRCPGEZYGMOLNT-LBPRGKRZSA-N 263.410 3.523 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C\c1ccc(O)cc1)C2=O 788735161 CXKXURWQZZWBLW-YVLHZVERSA-N 294.350 3.958 30 20 CHED Cc1cc(C)c(COC(=O)c2ccc(C#N)s2)c(F)c1 785925475 NHCIZPWWSMUGBA-UHFFFAOYSA-N 289.331 3.733 30 20 CHED C=C[C@H]1CCCCN1C(=O)C(F)(F)c1ccc(C)cc1 785867115 RJJUIELNIVOKBA-AWEZNQCLSA-N 279.330 3.654 30 20 CHED CC(C)(C#N)CCCCOC(=O)CSCC(F)(F)F 786456369 VSASXUDWPBMUKQ-UHFFFAOYSA-N 297.342 3.545 30 20 CHED CCCCC[C@H](NC(=O)NCCCC#N)c1ccccc1 784452911 FQCWPWRRJHRRIF-INIZCTEOSA-N 287.407 3.911 30 20 CHED C[C@H]1C[C@H]1C=NNCc1c(Cl)cccc1Cl 793116962 HEFQTGZVTDIQBD-IUCAKERBSA-N 257.164 3.725 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2(F)CCCC2)s1 797569601 SXJJMSUXQJHNEV-SNVBAGLBSA-N 294.395 3.899 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1ccc2occc2c1 794934867 ASWUMQQMPNQKNC-UHFFFAOYSA-N 299.261 3.926 30 20 CHED Clc1ccnc(NN=C2CCC[C@@H]2c2ccccn2)c1 794928292 VWRLIIQQCOQVEM-GFCCVEGCSA-N 286.766 3.866 30 20 CHED C=CCOc1ccc(OC(=O)C2CC(C)(C)C2)cc1 796778730 ZMOIXXRGXSTBLU-UHFFFAOYSA-N 260.333 3.593 30 20 CHED C[C@@H](NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C 793115273 QLRSBXGEHXXLBA-SECBINFHSA-N 283.759 3.606 30 20 CHED CCc1cccc(C)c1NN=C(C)[C@]1(C)CCCO1 799493962 XPAHZCPQNUZLQZ-INIZCTEOSA-N 260.381 3.914 30 20 CHED CC[C@@H](C)CON=C1CCN(c2ccccc2OC)CC1 793157456 AOVYEWMYITXYST-CQSZACIVSA-N 290.407 3.714 30 20 CHED O=C(/C=C\c1ccsc1Cl)c1cscn1 790224775 FSCFJEMSAXUUDN-UPHRSURJSA-N 255.751 3.754 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCc3sc(Cl)cc32)o1 796985059 XMGQHBMQMBWRCI-SECBINFHSA-N 293.731 3.710 30 20 CHED N#Cc1cnc(N2CC3(CCC3)c3c(F)cccc32)c(F)c1 1162355728 ISAFDAYIIMHQRS-UHFFFAOYSA-N 297.308 3.805 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)CC(C)(C)C1 1169005557 UYDZINWHYJMBKA-UHFFFAOYSA-N 274.383 3.955 30 20 CHED CCc1cccc2c1N(CCc1ccc(C#N)cc1)CC2 1167858759 AXGQLKIGKFGKAL-UHFFFAOYSA-N 276.383 3.726 30 20 CHED CC1(C)CCC[C@H](CNC(=O)C2(C#N)CCCCC2)C1 1536356015 QQHIJNAYXVDHMV-AWEZNQCLSA-N 276.424 3.793 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(C#N)cc1C)CC2 1233080584 OSPIUJYGPYIZNC-UHFFFAOYSA-N 276.383 3.733 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)c1 1318750881 ZVUJQEBMJJYPNZ-GFCCVEGCSA-N 299.320 3.713 30 20 CHED CC[C@H](NC(=O)c1cccc(CC#N)c1)c1ccc(F)cc1 1323784249 VKYJARDWRQCWKU-KRWDZBQOSA-N 296.345 3.773 30 20 CHED N#CC1(c2nnc(Cc3ccc4ccccc4c3)o2)CCC1 1326062025 UNBDJSSOWYLDPP-UHFFFAOYSA-N 289.338 3.759 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cscc2Br)C1 589173168 LFLTZLQABMSPRJ-LBPRGKRZSA-N 299.237 3.636 30 20 CHED C=CCOc1ccc(CN[C@@H](CC)c2nccs2)cc1 78004326 ATLNANYZQCQJSW-HNNXBMFYSA-N 288.416 3.949 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2Cl)nc1 590754774 KXZWPWMDOMREPW-UHFFFAOYSA-N 285.778 3.547 30 20 CHED C=CCN(CCOC)Cc1cccc(Cl)c1Cl 565380648 RULZVBCGBCYTMJ-UHFFFAOYSA-N 274.191 3.628 30 20 CHED Cc1cc(COc2ccc(C#N)c(C)c2)ccc1C#N 572808185 JODKAEVGVSNNKK-UHFFFAOYSA-N 262.312 3.626 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)OCCCCC#N 1251865786 AIOCCQGXGZIULZ-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2ncccc2c1 1336238189 KMHQFCBKKSAFON-MRXNPFEDSA-N 280.371 3.806 30 20 CHED Cc1cccc2c(CCNc3cccc(CC#N)n3)c[nH]c12 1255096744 WXMNREAKYFDHCD-UHFFFAOYSA-N 290.370 3.592 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2ccc(C)cc2)o1 1338093530 JIHDKXXOFWKKSC-HNNXBMFYSA-N 271.360 3.546 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@@H]1CCc2ccccc21 1346138438 AWFWEIFCQGGDSE-MRXNPFEDSA-N 257.377 3.735 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2cccs2)cc1 1347357299 QGJASZMWPRXHHD-OAHLLOKOSA-N 273.401 3.706 30 20 CHED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3C[C@@H]3F)c2)cc1 1265040217 LQZQVMVFJQAAST-CVEARBPZSA-N 296.301 3.647 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc2c(c1)COC2 1345842724 OFOSWOMKDHNKPJ-INIZCTEOSA-N 286.375 3.679 30 20 CHED Cc1ccc(N(C(=O)c2ccc(C#N)s2)C(C)C)cc1 1357674359 VBYSODGAODOHHU-UHFFFAOYSA-N 284.384 3.983 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 1276114818 KQWMWVWYKDJFNE-SNPRPXQTSA-N 284.403 3.811 30 20 CHED Cc1cc(NC(=O)c2ccc3sccc3c2)ncc1C#N 1437190716 RLYNCBBLUAMUNW-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@@H](OC(=O)C[C@@H]1CCC[C@H]1C)c1cccc(C#N)c1 1457762670 OQXOSLUMUAWTEU-NFAWXSAZSA-N 271.360 3.989 30 20 CHED C[C@H](CC(C)(C)C)Nc1nc(C#N)c(Cl)s1 1458418108 DMJHVBXHSNXKQL-SSDOTTSWSA-N 257.790 3.905 30 20 CHED CCC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ncc(Cl)n1C 1526586764 CDAGNZAZKRJMEG-VXGBXAGGSA-N 295.814 3.712 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H]1CCCC(F)(F)C1 1527618829 ODGQLDBZXSGKNQ-OLZOCXBDSA-N 286.366 3.705 30 20 CHED Cc1cc(NC(=O)C[C@@H](C)c2cccc(F)c2)ncc1C#N 1530656116 IXLMNSOUTPGYAS-GFCCVEGCSA-N 297.333 3.533 30 20 CHED C=C[C@@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O 1609287265 KCVHSCLBNUPVLK-LLVKDONJSA-N 295.747 3.726 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@H]2c2ccc(F)cc2)cc1 1464926492 ZDYYBSJUVFTEIP-INIZCTEOSA-N 295.317 3.676 30 20 CHED Cc1cccc(C(=O)N2CCc3c(C#N)cccc32)c1Cl 1536866770 NPOKQGDXYURKKI-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CN(C(=O)C1C(C)(C)C1(C)C)c1ccc(C#N)c(Cl)c1 1535034003 DWFGOCODDQMCCA-UHFFFAOYSA-N 290.794 3.857 30 20 CHED C[C@@H](NC(=O)c1ccsc1C#N)c1cccc(C2CC2)c1 1544504168 ROJNWQQDRRPQRR-LLVKDONJSA-N 296.395 3.988 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccn1C(F)F 1621144983 YAXKMKZLPMUKCX-UHFFFAOYSA-N 269.339 3.645 30 20 CHED Cc1cscc1NC(=O)Nc1cc(F)cc(C#N)c1 1563171559 AKFXLFWGYQDVJY-UHFFFAOYSA-N 275.308 3.711 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccsc1C(=O)O 1609371796 WKXLXCWJDIBKEL-UHFFFAOYSA-N 287.384 3.635 30 20 CHED N#Cc1cccnc1NCc1cc(Cl)cc(Cl)c1 1612600480 IGJVNOSGEIMWPG-UHFFFAOYSA-N 278.142 3.872 30 20 CHED Cc1ccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)cc1C#N 1640086710 YMVIVLKEYONXAR-KRWDZBQOSA-N 294.329 3.593 30 20 CHED Cc1cc(C#N)ccc1Cn1c(=O)sc2c(C)cccc21 1641185262 XDLXAVRGXMTMBA-UHFFFAOYSA-N 294.379 3.600 30 20 CHED Cc1ccc(Oc2nnc(C)c(C)c2C#N)cc1Cl 1655570368 GOKLCDDFJLWWME-UHFFFAOYSA-N 273.723 3.719 30 20 CHED Cc1c(Cl)cnc(NC[C@@H]2C[C@H]2C2CCC2)c1C#N 1655596004 QODPCGCORZMNIQ-RYUDHWBXSA-N 275.783 3.763 30 20 CHED CCC[C@@H](CC)Nc1ncc(Cl)c(C)c1C#N 1650710230 WITVGYVTOVBUIN-SNVBAGLBSA-N 251.761 3.906 30 20 CHED CC(C)CC[C@H](NC(=O)NCC1(C#N)CCC1)C(C)(C)C 1678912593 XAYVDNKUMSGWDZ-AWEZNQCLSA-N 293.455 3.830 30 20 CHED Cc1cc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cs1 1679527559 ZRYXVAHXNRKISX-LLVKDONJSA-N 285.372 3.811 30 20 CHED O=C(O)c1ccc(NN=CCC[C@H]2C[C@H]3CC[C@H]2C3)cc1 1776012560 DHZLRRHGLYTVPZ-SNPRPXQTSA-N 286.375 3.999 30 20 CHED O=C(O)c1ccc2[nH]cc(/C=C\C(=O)c3ccccc3)c2c1 1776114727 YYMYLPKSWSFWJX-CLFYSBASSA-N 291.306 3.762 30 20 CHED Cc1c(NN=Cc2sccc2Cl)cccc1C(=O)O 1776088031 LJVSFWJQSNPJGK-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@@H]2CC3CCC2CC3)C1 1776153398 JBDRJXGAYRXYBF-OBQMCRIKSA-N 291.435 3.556 30 20 CHED C=CC[C@H](NCc1ccc(C2CC2)c(C2CC2)c1)C(=O)O 1776152546 YSIUTFYIGQHYEP-KRWDZBQOSA-N 285.387 3.560 30 20 CHED C=CCCCCCN(C)CC(=O)N[C@H](C)c1cccs1 150894306 ZFZMDAQROJUUKM-CQSZACIVSA-N 294.464 3.604 30 20 CHED CC(C)n1cnnc1SCC#Cc1ccccc1Cl 162389977 TXJDNUUZFXBWPB-UHFFFAOYSA-N 291.807 3.656 30 20 CHED C=CCC[C@H](CCC)NC[C@@](C)(O)c1ccsc1 160129371 QVKRNJLXQHUCAI-LSDHHAIUSA-N 267.438 3.680 30 20 CHED C[C@@H]1CCC[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 1639447689 XGQANSHIPYQRKK-DGCLKSJQSA-N 257.381 3.851 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc2nc(SC)sc2c1 845081678 CMAJNJQCJPZBEG-QMMMGPOBSA-N 291.401 3.506 30 20 CHED CC1(C)CCC(c2noc(-c3cc(C#N)c[nH]3)n2)CC1 232837099 UMDTYTLVRJUPGM-UHFFFAOYSA-N 270.336 3.620 30 20 CHED COc1ccc(C=O)c(OCCCCC(C)(C)C#N)c1 234884724 FJHQTQXWKCFMCI-UHFFFAOYSA-N 275.348 3.607 30 20 CHED C=C(Br)CNCc1ccc(C)c(Cl)c1 235770506 YXXXKGRZXRYNTK-UHFFFAOYSA-N 274.589 3.647 30 20 CHED Cc1cc(C#N)ccc1CN(C)c1ccc(F)cc1 165469762 GBEYIPLGRXXSQM-UHFFFAOYSA-N 254.308 3.642 30 20 CHED N#Cc1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1 45027098 JRNAGZJLIHUVSC-UHFFFAOYSA-N 289.697 3.995 30 20 CHED C=C(Cl)CN1CCC(CN(C)Cc2ccccc2)CC1 57924397 FRECWZAKLQTZCT-UHFFFAOYSA-N 292.854 3.583 30 20 CHED C=CCCC[C@@H](C)Nc1ccc(S(=O)(=O)CC)cc1 191847960 HMFDPFONXXNVKW-CYBMUJFWSA-N 281.421 3.637 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(C#N)c1F 512449593 IVWHBXQFINRWMJ-UHFFFAOYSA-N 280.346 3.886 30 20 CHED Cc1nc(N[C@@H](C2CCC2)C2CC2)c(Cl)cc1C#N 325061032 XDUPIFMENVVMGJ-AWEZNQCLSA-N 275.783 3.906 30 20 CHED CN(CCSCC1(C#N)CCC1)Cc1ccccc1 450939649 QDHHGEUJTLZTOR-UHFFFAOYSA-N 274.433 3.545 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCCC 471478478 AVYQIHQDIBTHSJ-UHFFFAOYSA-N 260.381 3.574 30 20 CHED N#Cc1cccc(Oc2cccc3sccc23)n1 705102793 CZHGYAJOEKNIED-UHFFFAOYSA-N 252.298 3.960 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc2ccccc12)C(C)C 379593350 AIQIQKDYHDLAPV-OAHLLOKOSA-N 266.344 3.619 30 20 CHED C=CCCSCCN[C@H](C)c1cccc([N+](=O)[O-])c1 595057123 AKGULIVEFDDTQV-GFCCVEGCSA-N 280.393 3.555 30 20 CHED N#CCCC1CCN(Cc2ccc3c(c2)CCC3)CC1 399496289 WJSXKBJJZACXDH-UHFFFAOYSA-N 268.404 3.691 30 20 CHED Cc1ccccc1/C=C1\COc2ccccc2C1=O 3506205 IQROBMYTWVQXKM-GXDHUFHOSA-N 250.297 3.654 30 20 CHED CSCCCNc1ccc(C#N)cc1C(F)(F)F 36973537 OKVGDEAQRSGIDU-UHFFFAOYSA-N 274.311 3.742 30 20 CHED CC(C)Oc1ccc(CNc2cccc(C#N)c2)cc1 37203130 NZIJZZJJSGLAAN-UHFFFAOYSA-N 266.344 3.958 30 20 CHED Cc1ccc(C)c(CN(C)Cc2ccc(C#N)cc2)c1 46526940 SHGUWAOTRXTUET-UHFFFAOYSA-N 264.372 3.807 30 20 CHED N#Cc1ccc(OCCCOCC(F)(F)F)c(Cl)c1 49312499 DLNMLBSMFNFGPM-UHFFFAOYSA-N 293.672 3.559 30 20 CHED N#Cc1ccc(OCCOc2ccccc2)cc1Cl 61851351 OOGDMUGOTCEEHW-UHFFFAOYSA-N 273.719 3.669 30 20 CHED C[C@H]1CCCCN1CCCNc1cc(Cl)ccc1C#N 62785202 DKDRHFWUWLLWFH-ZDUSSCGKSA-N 291.826 3.888 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCc2sccc2[C@@H]1CC 69353605 OJTFGRBUAKCYGH-OCCSQVGLSA-N 293.432 3.565 30 20 CHED CC1(C)C[C@H](Nc2ccc(C#N)c(Cl)c2)CCO1 70348170 NIWZWNLTUWOGCX-GFCCVEGCSA-N 264.756 3.581 30 20 CHED CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CCCCC1 74917167 MCGKIYICQNAUKL-CQSZACIVSA-N 299.418 3.983 30 20 CHED CC(C)c1ccc(C(=O)N(CC#N)C2CCCC2)cc1 78003225 IYSUTHRAPQOBNM-UHFFFAOYSA-N 270.376 3.718 30 20 CHED Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(C#N)cc1 80952256 QWJDTABUTDUDAB-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C=CCOc1ccc(OC(=O)[C@H]2CC=CCC2)cc1 81324157 ASYIZZKPPAROAH-ZDUSSCGKSA-N 258.317 3.513 30 20 CHED CCCCCC(C)(C)CNC(=O)C1(C#N)CCCC1 87402758 QTYYXAIMENDZCD-UHFFFAOYSA-N 264.413 3.793 30 20 CHED Cc1ccc(-c2ncco2)cc1NC(=O)C1(C#N)CCCC1 89618982 IBQIWSNSQJWLHX-UHFFFAOYSA-N 295.342 3.673 30 20 CHED C[C@H](CC1CCCC1)NCc1cccc(OCC#N)c1 89631462 HGTNZDFACBZHKD-CQSZACIVSA-N 272.392 3.647 30 20 CHED C=CCC[C@H](N[C@H]1CCOC2(CCCC2)C1)C1CC1 90527205 YOECRWVRNJUNKZ-HOTGVXAUSA-N 263.425 3.813 30 20 CHED N#CCCN(Cc1cnc(C2CCC2)s1)CC1CC1 93091568 NUSKXEUUQWSKCM-UHFFFAOYSA-N 275.421 3.536 30 20 CHED N#CCCCOc1cccc(CN(CC(F)F)C2CC2)c1 93276491 PZBWFBCSQJLGSL-UHFFFAOYSA-N 294.345 3.599 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCc1ccc(C#N)cc1)C2 100439017 FPOJTCJCFGHAHD-JZXOWHBKSA-N 268.404 3.863 30 20 CHED CC(C)(Cc1ccc(Br)cc1)NCCCC#N 109818715 YCTWRZDVORFOAG-UHFFFAOYSA-N 295.224 3.664 30 20 CHED N#CC1(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CCCCC1 110576692 YHWVYZHPBSNNBO-IAGOWNOFSA-N 296.414 3.913 30 20 CHED C=CCN(CC=C)Cc1cc(F)cc2cccnc12 114723820 WOUDVWXGMFBKSE-UHFFFAOYSA-N 256.324 3.548 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc3c(F)cccc3[nH]2)C1 116809618 PQUMXUXCNINWLE-APPDUMDISA-N 299.349 3.509 30 20 CHED C=CC[C@@H](C)NCc1ccccc1Br 116927310 MCCLIMBJNGQVJN-SNVBAGLBSA-N 254.171 3.503 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2[nH]c(C)cc2c1 117006382 BEESWPQWABMHRP-SNVBAGLBSA-N 257.337 3.562 30 20 CHED C=CCCCS[C@@H](C)C(=O)Nc1ccccc1OC 117944599 QCDIIDZHJIMKDW-LBPRGKRZSA-N 279.405 3.722 30 20 CHED CCN(CC)C(=O)[C@@H](C)S[C@H](C)c1ccc(C#N)cc1 118445740 UAJCWPKZNYQYLM-CHWSQXEVSA-N 290.432 3.609 30 20 CHED CCCCc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1 119870575 CZDSSTDAQWPAJL-ZDUSSCGKSA-N 273.380 3.795 30 20 CHED CC[C@H](C#N)NC(=O)c1ccc(-c2ccccc2Cl)o1 120117547 ZHHUKCCGUZEWQY-SNVBAGLBSA-N 288.734 3.632 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccccc2C#N)cc1[N+](=O)[O-] 120698772 IUWZUOGPLXLYNT-CMDGGOBGSA-N 292.294 3.671 30 20 CHED C=CCC[C@H](NCc1ccc2c(c1)OCCCO2)C1CC1 120900989 MWTJFQNZPLTXTC-INIZCTEOSA-N 287.403 3.682 30 20 CHED C=CCN(C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 121368716 KSLRJCPMYJYLGZ-AWEZNQCLSA-N 274.408 3.563 30 20 CHED CC(C)[C@@H](C#N)OC(=O)CCCc1c[nH]c2ccccc12 121574708 QJWLLYRYOASMPA-MRXNPFEDSA-N 284.359 3.582 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc(C#N)c1 123516881 ZYBAQXDLYBDBPD-WFASDCNBSA-N 271.364 3.601 30 20 CHED Cc1c(Cl)cc(NC(=O)N(C)CCC#N)cc1Cl 126108611 JRCWQOAEPKQSBU-UHFFFAOYSA-N 286.162 3.679 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2)s1 126511354 JUNRZTDCNSCIHB-ONEGZZNKSA-N 275.279 3.794 30 20 CHED N#Cc1ccc(N[C@@H]2CCCc3sccc32)cn1 129646272 GBUNIUGJJSEQTJ-CYBMUJFWSA-N 255.346 3.504 30 20 CHED Cc1ccc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])o1 131130315 WARFOJUOFNXIAR-DLYLGUBQSA-N 283.283 3.949 30 20 CHED Cc1ccnc(NCC[C@@H](C)c2ccccc2)c1C#N 135076430 DGZBDDQOLBKJOT-CYBMUJFWSA-N 265.360 3.867 30 20 CHED C=C(C)COCCNC(=O)Nc1ccc(C(C)C)cc1 136893293 SMAWVIPZCIKKAX-UHFFFAOYSA-N 276.380 3.524 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C#N)c1 151029674 IBORBFRSAAWQBN-KPZWWZAWSA-N 280.346 3.720 30 20 CHED CCc1oc2ccccc2c1C(=O)N(CC#N)C1CCCC1 152732301 YQCABIPMZQWSNO-UHFFFAOYSA-N 296.370 3.904 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Cc1ccc(Cl)cc1 157578747 VGDACZVPXMKBQJ-CYBMUJFWSA-N 277.795 3.719 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCC1(CO)CCCC1 160182800 SLYNMZUBBVBDKA-UHFFFAOYSA-N 298.308 3.542 30 20 CHED CC[C@H](c1ccccc1)[S@](=O)Cc1cccc(C#N)c1 161642225 OXOOXKVOUXZFPV-XLIONFOSSA-N 283.396 3.958 30 20 CHED Cc1cc(C#N)ccc1COc1cccc([N+](=O)[O-])c1C 165557314 NICVXYKFOAIQEE-UHFFFAOYSA-N 282.299 3.662 30 20 CHED CCn1c(C)cc(C(=O)N(CCC#N)CCC(C)C)c1C 171548991 JZTYHQNTSNAHMP-UHFFFAOYSA-N 289.423 3.527 30 20 CHED N#CCCCC[S@](=O)Cc1cc(Cl)ccc1Cl 172843660 DHIRKSGVXXWIFB-KRWDZBQOSA-N 290.215 3.936 30 20 CHED N#C[C@@H](OC(=O)c1ccc(Oc2ccccc2)o1)C1CC1 176061092 SQVFPKKFFMAYFB-CQSZACIVSA-N 283.283 3.531 30 20 CHED Cc1cnc([C@@H](NCc2ccc(C#N)s2)C2CC2)s1 176976326 HQIDODAYTSWUCG-ZDUSSCGKSA-N 289.429 3.626 30 20 CHED Cc1ccccc1NC(=O)[C@@H](C)Sc1cccc(C#N)c1 177103842 JHBZKXFAZCVJCL-CYBMUJFWSA-N 296.395 3.986 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccsc2)cc1 178024539 ZCFYNDXOIQJYKA-CYBMUJFWSA-N 271.385 3.611 30 20 CHED CCC[C@H](CC)NC(=O)Nc1cccc(C#N)c1C 178578500 LLIGURVHJQWSHW-ZDUSSCGKSA-N 259.353 3.567 30 20 CHED CCSc1cc(C(=O)Nc2cccc(C#N)c2C)ccn1 178639603 TXTDYZYTLDZEMZ-UHFFFAOYSA-N 297.383 3.626 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1cccc(C#N)n1)CCC2 179236772 IOXFSCPDWSKZCC-INIZCTEOSA-N 263.344 3.751 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1nc2cc(C#N)ccc2n1CC 181300212 VIYHNFUJQVVYDP-VXGBXAGGSA-N 298.390 3.549 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Cc1ccc(OC)cc1 182650598 CITGCHQLPPKBIS-GJZGRUSLSA-N 289.419 3.735 30 20 CHED CCC(CC)[C@H]1C[C@H](Nc2nc(C)ccc2C#N)CCO1 182971833 ZWTGIHWLSWZXRG-HZPDHXFCSA-N 287.407 3.657 30 20 CHED Cc1cncc(C(=O)/C=C/c2cc(F)c(F)cc2F)c1 184772758 SRMCCTWJVNNRAG-NSCUHMNNSA-N 277.245 3.703 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](O)[C@H](C)C1 186619841 RUSIKLQVHBSNMA-CVEARBPZSA-N 283.456 3.747 30 20 CHED N#Cc1csc(C(=O)Nc2ccsc2Cl)c1 186931234 BURLXZPMFQKGCZ-UHFFFAOYSA-N 268.750 3.587 30 20 CHED CCCCCCn1nc(C(C)(C)C)c(CCC#N)c1O 187176483 NACYRANEUBCHAB-UHFFFAOYSA-N 277.412 3.923 30 20 CHED O=C1/C(=C/C2=Cc3ccccc3OC2)Cc2cc(O)ccc21 187220095 YRYDIVFKRJWPEK-OVCLIPMQSA-N 290.318 3.533 30 20 CHED CC[C@H](CC#N)OC(=O)c1nc(-c2ccco2)sc1C 188110846 GGEHJTSCNYVXOV-SNVBAGLBSA-N 290.344 3.561 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccccc1CCC 188180149 KFTDXRXEKIYFFO-KRWDZBQOSA-N 275.392 3.806 30 20 CHED C=CCC[C@H](NC(=O)/C=C/c1ccc[nH]1)c1ccccc1 188588447 YMOWMWPCHKJNSM-UJGDBWEASA-N 280.371 3.852 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1 189340572 DOFADRIRZWNRLV-AWEZNQCLSA-N 250.345 3.751 30 20 CHED CC#CCCCC(=O)Nc1cc2c(cc1Cl)CCC2=O 191800348 TYDYICRVDYXDAJ-UHFFFAOYSA-N 289.762 3.601 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C1(CC=C)CCC1 191881419 LHUPWRZBDGHVOX-UHFFFAOYSA-N 299.414 3.956 30 20 CHED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)OCCCC#N)c1 194080830 QPSPZPMZRHFYDD-CQSZACIVSA-N 289.375 3.733 30 20 CHED N#Cc1cc(NCc2c[nH]nc2-c2ccccc2)ccc1F 194609383 LQACQHUYLOVQFZ-UHFFFAOYSA-N 292.317 3.700 30 20 CHED C[C@@H](Oc1ccc2c(c1)CCC2=O)c1ccc(C#N)cc1 194706429 PAABVSAZGZYRIJ-GFCCVEGCSA-N 277.323 3.827 30 20 CHED N#Cc1cc(NC(=O)c2cccc3c2CCC3)ccc1Cl 195647166 PUDRBPQBSIYXQW-UHFFFAOYSA-N 296.757 3.953 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc(C)c1O 211769933 QVLVUIAAYQJGTP-HYXAFXHYSA-N 296.322 3.634 30 20 CHED Cc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)c(C)c1 214919517 XQIRMQQKLWTBOK-FPLPWBNLSA-N 268.360 3.977 30 20 CHED Cc1cc(C)nc(SCc2cccc(C#N)c2)c1 229851949 MPUWAFXMXQADJB-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C[C@H](OC(=O)[C@H]1C[C@]12CCCc1ccccc12)C(C)(C)C#N 245557014 SHGJKPDBEMSAJW-CRFBAAHOSA-N 297.398 3.762 30 20 CHED CC[C@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)CC1 255074600 WIYOTXVCHPSZGN-KVPUOBJLSA-N 282.387 3.610 30 20 CHED O=C(/C=C\c1ccccc1C(F)(F)F)c1ccncc1 255173532 SKXBOXHPROTOQK-WAYWQWQTSA-N 277.245 3.997 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2cccs2)cc1 255232629 CMYOZYGXRNOURB-PWWFUAJNSA-N 283.352 3.935 30 20 CHED C/C(=C\c1ccccc1C#N)c1nc(O)c2ccsc2n1 255342002 BEFBRZFRKVMGJM-CSKARUKUSA-N 293.351 3.829 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C\c1ccsc1 255511863 PHLSYAHRVGPNCM-UTCJRWHESA-N 275.348 3.849 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc(OCC#N)cc2)c1 255605798 RUFQLHWUZDXMCL-UITAMQMPSA-N 295.313 3.933 30 20 CHED C[C@@H]1C/C(=C\c2cncs2)C(=O)c2ccccc21 255831281 XVFWQTVOPZNTNZ-UEUZTHOGSA-N 255.342 3.917 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(C(=O)O)cc1 263450946 ZOQGAWLHJQKCOG-CYBMUJFWSA-N 261.365 3.609 30 20 CHED CSc1ccc(C(=O)/C=C\c2c(C)noc2C)cc1 263639393 IBMAESCGZXCUBF-HJWRWDBZSA-N 273.357 3.909 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CCC(C)C)cc1F 264097232 TVBMMENGDLYNMN-UHFFFAOYSA-N 276.355 3.536 30 20 CHED CC(C)n1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)n1 264914673 QOFMTMIRBJUMCV-UHFFFAOYSA-N 296.374 3.517 30 20 CHED C[C@@H](NC(=O)CON=C1CCC1)c1ccc2ccccc2c1 265486438 USNPSRDUGUWBOU-CYBMUJFWSA-N 296.370 3.574 30 20 CHED Cc1noc(C(C)C)c1C(=O)O[C@@H](C)c1ccc(C#N)cc1 267170172 UGTUEBDMSDXFIR-LBPRGKRZSA-N 298.342 3.896 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)Cc1ccc(Cl)c(Cl)c1 267273215 SSAXAKKOZYAPGF-GFCCVEGCSA-N 299.201 3.590 30 20 CHED CC(C)N(Cc1ccc(F)c(C#N)c1)Cc1ccco1 268169271 AADZYDBMCQQLMT-UHFFFAOYSA-N 272.323 3.701 30 20 CHED Cc1ncsc1CN[C@@H](CCC#N)c1ccccc1 269610459 LQAOBFAQSHAQNH-AWEZNQCLSA-N 271.389 3.586 30 20 CHED Cc1cccc2c1N(C(=O)c1ccc(CC#N)cc1)CCC2 270349647 BTQNNBVOTXIZFJ-UHFFFAOYSA-N 290.366 3.654 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(-c2ncco2)c1)C1CC1 271519935 VQRXNIHHNITYMS-UHFFFAOYSA-N 297.358 3.832 30 20 CHED C=CCN(C(=O)Nc1cc(-c2ccccc2)on1)C1CC1 271558684 PHHMRVFCXJERHS-UHFFFAOYSA-N 283.331 3.524 30 20 CHED C[C@H](C(=O)OCc1ccc(CC#N)cc1)c1cccs1 271894397 SVUNKCOHFBBXQW-LBPRGKRZSA-N 285.368 3.661 30 20 CHED C=C[C@H](Cc1nc(C2(OC)CCC2)no1)c1ccccc1 274011381 NAPSKXSQYIYFHP-CYBMUJFWSA-N 284.359 3.608 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@](C)(c2ccccc2)C1 278901695 YPHSRPSGKRYYDE-SFHVURJKSA-N 284.403 3.507 30 20 CHED N#CCCN(CC1CC1)C(=O)c1ccc(F)c2ccccc12 280515252 KCKJEAPYZGRDLD-UHFFFAOYSA-N 296.345 3.745 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccc(SC)cc1 282175987 JQTTUNBHJKFWOB-GFCCVEGCSA-N 278.421 3.687 30 20 CHED N#CCCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 285551530 UQIDEOXFWKEVTK-RCCFBDPRSA-N 268.404 3.948 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(c2cccc(C#N)n2)C1 286419887 OOIZEDHLSKRWQQ-BBRMVZONSA-N 263.344 3.541 30 20 CHED C=CCC[C@H](NCC1CCN(C2CC2)CC1)c1ccco1 287279664 CVHIOYFVVBDKON-KRWDZBQOSA-N 288.435 3.751 30 20 CHED CCCN(CC#N)C(=O)c1cc2cccc(C)c2s1 288455371 VQGOHNMOBWGUFL-UHFFFAOYSA-N 272.373 3.586 30 20 CHED CC[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)OC 290573312 OPCLNVLZMAQLML-JFEKIERCSA-N 276.163 3.543 30 20 CHED CCCCOc1ccc(NC(=O)CCCC#N)c(C)c1 292360553 OUGITXRWCRRSIF-UHFFFAOYSA-N 274.364 3.806 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)c1 294619443 NMBHZGAKSVZHTE-KXBFYZLASA-N 296.414 3.955 30 20 CHED C#Cc1cccc(N(C(=O)c2c(C)nsc2C)C(C)C)c1 294837947 ROCLQXWGNZFVOK-UHFFFAOYSA-N 298.411 3.796 30 20 CHED N#Cc1ccc(N2CCC[C@H]2Cc2ccccc2Cl)nc1 301063994 COADGZNEYHTEDP-HNNXBMFYSA-N 297.789 3.818 30 20 CHED COc1ccc([C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 301175465 YUMMVRKHELTNNW-OAHLLOKOSA-N 296.345 3.700 30 20 CHED Cc1ccc([C@H](CNc2ccc(F)cc2C#N)N(C)C)cc1 301356614 KRBFOAMJFRMCBF-SFHVURJKSA-N 297.377 3.721 30 20 CHED COc1cccc2c1CCN(c1cc(Cl)ccc1C#N)C2 302135131 CXYDABIXDVBTPI-UHFFFAOYSA-N 298.773 3.783 30 20 CHED C#Cc1cccc(N(C)Cc2cccc(OC(F)F)c2)c1 303140669 CWPSMGOKQGSIQT-UHFFFAOYSA-N 287.309 3.906 30 20 CHED CC(C)C[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 307778476 RBJBKDFFUKBXIJ-CQSZACIVSA-N 260.356 3.565 30 20 CHED CC1(C)CCC(/N=C(/O)CC[C@@H]2CCOC2)(C(=N)O)CC1 328804835 BTCBZJGSEBJLRO-GFCCVEGCSA-N 296.411 3.634 30 20 CHED CO[C@H]1CCCC[C@@H]1C(O)=Nc1cnc2c(c1)CCCC2 329072069 ZISONJAOGMOIGE-HOCLYGCPSA-N 288.391 3.754 30 20 CHED CCc1cnccc1[C@H](C)/N=C(/O)[C@@H]1CCCCC(O)=N1 329840982 OKIWLWXFBVRPDP-FZMZJTMJSA-N 289.379 3.561 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1)Nc1ccc(F)cn1 330070072 HUYFLCIUZZBZRU-GMXVVIOVSA-N 277.343 3.515 30 20 CHED Cc1nc(C2(/N=C(/O)C3[C@@H]4CCC[C@@H]34)CCCCC2)no1 330122183 AAUAWGWOCRYVLT-VXGBXAGGSA-N 289.379 3.540 30 20 CHED CCCC1CCC(N(C)C(=O)c2cc(C#N)oc2C)CC1 331228320 GIUALIRTKJPXSQ-UHFFFAOYSA-N 288.391 3.891 30 20 CHED C[C@H](N[C@H]1CCC[C@@H]1C#N)c1ncc(-c2ccccc2)o1 332169889 KRKANGQBFZNEBX-CFVMTHIKSA-N 281.359 3.684 30 20 CHED CC1(C)C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2cc(N)ccc2O1 332205687 HCWBROHVPAEZGA-XPKDYRNWSA-N 299.418 3.543 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc3ccoc3c2)CC12CCCC2 333380605 FLTWMHHQTPZHAZ-QGZVFWFLSA-N 280.327 3.845 30 20 CHED N#Cc1ccc(CN[C@H]2CSc3ccccc32)c(F)c1 335827492 BAFWEPCRZVBNNW-HNNXBMFYSA-N 284.359 3.634 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 336419377 VDAJWCZRZWPFBI-HNNXBMFYSA-N 296.374 3.649 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(F)cc(Cl)c1 336428168 KQKQJJOXWIHTLQ-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@]1(CNc2cccc(C#N)n2)C[C@H]1c1ccccc1 338743779 SDFSODKKIRKCAQ-DOTOQJQBSA-N 263.344 3.559 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)c1ccc(CC#N)cc1 340066679 SBEIPAARBPEAFW-UHFFFAOYSA-N 298.773 3.678 30 20 CHED C=C(CNc1nccc2occc12)c1ccccc1 340854349 TVPYSTQJXVSSRK-UHFFFAOYSA-N 250.301 3.953 30 20 CHED N#Cc1ccnc(NCc2ccc(-c3ccccc3)o2)c1 341579793 AIMAGXNFXRAEBB-UHFFFAOYSA-N 275.311 3.825 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cccc(-c2ccncc2)c1 341881492 RJYKTWXOEDZOHN-JKSUJKDBSA-N 296.414 3.584 30 20 CHED C=C(CN[C@H]1C[C@@H](OCC)C12CCC2)c1ccccc1 344050004 JOYPVXVFDVZSSE-DLBZAZTESA-N 271.404 3.637 30 20 CHED Cc1cnc([C@@H](NCc2ccc(CC#N)cc2)C2CC2)s1 347950101 BDTBVMHERIWGIY-INIZCTEOSA-N 297.427 3.759 30 20 CHED CCOc1ccc(/C=C/c2ccncc2C#N)cc1OC 349112520 OLEUMTFDZDJQSJ-GQCTYLIASA-N 280.327 3.531 30 20 CHED C=CCN(CCc1ccco1)Cc1nc2cccnc2s1 352720995 PSWRMAZNZVBREG-UHFFFAOYSA-N 299.399 3.515 30 20 CHED C[C@H]1CCC[C@@H](c2noc(COc3ccccc3C#N)n2)C1 356221099 QAOWHRJZHBBMHX-QWHCGFSZSA-N 297.358 3.814 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-n2ccc(C)n2)cc1 357310295 XGXOXONJEMSACL-QGZVFWFLSA-N 283.375 3.722 30 20 CHED N#Cc1ncccc1NCCn1ccc2cc(Cl)ccc21 357548890 NYVYXYYBRGKUHW-UHFFFAOYSA-N 296.761 3.673 30 20 CHED Cc1ccc(CC2CCN(C(=O)CCCC#N)CC2)cc1C 358519913 YMRARDMCZVJDCR-UHFFFAOYSA-N 298.430 3.778 30 20 CHED C=CCCCCNCc1cscc1Br 379589132 UYEWWARZYLRCOS-UHFFFAOYSA-N 274.227 3.957 30 20 CHED CC#CCCNC[C@H](C)c1cccc(Br)c1 381242602 NNBVVRULVKGJEP-LBPRGKRZSA-N 280.209 3.556 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(Cc2ccc(C#N)cc2)n1 385038320 QVNCDCYSEMQHGN-WFASDCNBSA-N 281.359 3.826 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 393763932 OMDCIVBZNASUNA-HUUCEWRRSA-N 296.455 3.720 30 20 CHED C[C@@H](CN1CCC(CCC#N)CC1)c1ccccc1 399479165 YVJRJMVUFSHYJM-HNNXBMFYSA-N 256.393 3.806 30 20 CHED C=CCOCCCC(=O)N1CCCc2ccc(C)c(C)c21 411090921 JQQOBPOOJXIBEY-UHFFFAOYSA-N 287.403 3.565 30 20 CHED Cc1cc(SC2CCCC2)c(C#N)cc1[N+](=O)[O-] 413024306 MMKVMJDIJFSCRR-UHFFFAOYSA-N 262.334 3.810 30 20 CHED C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1csnn1 414304427 OSSTVYRJAGKJJL-IAQYHMDHSA-N 298.415 3.528 30 20 CHED CC[C@@H](NC(=O)NCc1ccc(C#N)s1)c1ccccc1 420850653 ATJALXLESCMYPQ-OAHLLOKOSA-N 299.399 3.570 30 20 CHED C=CCC(C)(C)c1nc([C@@H](C)c2nccs2)no1 424357420 WTYMZZPLBYMKCI-SECBINFHSA-N 263.366 3.532 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[C@@H]1C 424610958 CNYMIGLFWWSLKN-MAUKXSAKSA-N 296.414 3.899 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425420527 MSGIYYFBRVYQJB-BFHYXJOUSA-N 287.407 3.695 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCC(C)(C)CC 429039757 JBARUIGFBYXHNR-UHFFFAOYSA-N 288.435 3.863 30 20 CHED C=CCN(Cc1ccc(C(F)(F)F)s1)C1CC1 432924119 KEWVRIFOVSQYOW-UHFFFAOYSA-N 261.312 3.917 30 20 CHED CCN(CC)Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 442861229 SZINYNYXAVBRRW-WBVHZDCISA-N 271.408 3.633 30 20 CHED CC1(C)CCCN(C[C@@H]2CCC3(CCCCC3)O2)[C@H]1C#N 444728808 RLOWCGGXJUHCEO-HOTGVXAUSA-N 290.451 3.882 30 20 CHED COc1ccc(C)cc1CN1CCCC(C)(C)[C@@H]1C#N 444736101 PUDWXSNWGCXWOY-INIZCTEOSA-N 272.392 3.518 30 20 CHED C=CCOCc1nc(C(C)(C)C2CCCCC2)no1 445501849 HPPMHXAGCOCQNM-UHFFFAOYSA-N 264.369 3.630 30 20 CHED C=CCn1c(SCC(=O)CC2CC2)nc2ccccc21 447308634 GIYCXNBQBILKRM-UHFFFAOYSA-N 286.400 3.684 30 20 CHED CC[C@@H](NCCc1cccc(C#N)c1)C1CCCC1 449301910 IQEMHOHOEGTHPH-QGZVFWFLSA-N 256.393 3.659 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1cccc(Cl)c1C#N 450500000 MCQLPXZHCYEFNK-ABAIWWIYSA-N 276.767 3.605 30 20 CHED CCC(CC)Oc1ccc(C(=O)N[C@@H](CC)CC#N)cc1 450626591 SENBRGUZEUJKBM-AWEZNQCLSA-N 288.391 3.676 30 20 CHED C=C[C@@H](CC(=O)N[C@H](CC)C(F)F)c1ccccc1 452251870 UPOWYFRCWKFZGC-WCQYABFASA-N 267.319 3.506 30 20 CHED C=C(C)CCNC(=O)Nc1ncc(C(C)(C)C)s1 454871248 KPERKJYCCLMVOK-UHFFFAOYSA-N 267.398 3.528 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 455540901 PRUZVAQMQCKLOO-INIZCTEOSA-N 290.407 3.754 30 20 CHED C=CCC(C)(C)CNC(=O)N1[C@H](C)CC[C@H]1CC 458815779 YTVJKVAOGGLNDS-CHWSQXEVSA-N 252.402 3.561 30 20 CHED C=C(C)CCNC(=O)N1CC2(CCC2)c2c(F)cccc21 459010552 WNPVSXKZSHLZDN-UHFFFAOYSA-N 288.366 3.743 30 20 CHED CC(C)C[C@@H]1C[C@H]1NCc1cccc(OCCCC#N)c1 459665769 KWDBXVLNTGTDIR-SJLPKXTDSA-N 286.419 3.893 30 20 CHED COc1ccc([C@H](C)[C@@H](C)NCC(C)(C)CC#N)cc1 459729585 KDVWTUTYQDLQIX-ZIAGYGMSSA-N 274.408 3.717 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](C)C[C@H](C)C1 460550374 KLLJNUKGOXOSSE-CABCVRRESA-N 290.455 3.850 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CCCOCC2)c1 461820289 CWHSSUNTEYAJCT-CQSZACIVSA-N 261.365 3.623 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 463072355 ZSOGWGZDMGHMGF-WDEREUQCSA-N 288.416 3.873 30 20 CHED C[C@]1(CN[C@@H]2CCC[C@H](C#N)C2)CCCc2ccccc21 463236526 LGGKTOYMHNARMR-KVSKMBFKSA-N 282.431 3.953 30 20 CHED CC#CCn1nc(-c2ccccc2)nc1-c1ccccc1 464095400 VIQHZFPXYITKKP-UHFFFAOYSA-N 273.339 3.635 30 20 CHED C=CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CCC1 464711834 NHCZJXBOSHIFMX-UHFFFAOYSA-N 288.347 3.842 30 20 CHED C=CCOc1ccccc1CNC(=O)C1(CC)CCCC1 464971338 IRNJMPRHUAFUAB-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC[C@H]2CCCO2)cc1 466400234 BHLLKWCNCHEUDN-SJLPKXTDSA-N 289.419 3.689 30 20 CHED CCN(CC#N)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 467834057 FXVQKGGAXGSVII-UHFFFAOYSA-N 292.810 3.671 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc(SC)cc1 468020776 PQUWRDHRPUDQNK-HNNXBMFYSA-N 263.406 3.974 30 20 CHED C=CCOCCCN(CC)c1ccc2[nH]ccc2c1 470869647 IDKNBVXTTWXTLP-UHFFFAOYSA-N 258.365 3.587 30 20 CHED C=CCCCCNC(=O)N[C@H](C)c1cccc(F)c1F 472771797 NFKZVTYZRRPLHC-LLVKDONJSA-N 282.334 3.681 30 20 CHED C=CCCCCNCc1nc2ccc(OC)cc2s1 473996192 VZDFGFIAXQQFCF-UHFFFAOYSA-N 276.405 3.751 30 20 CHED C=CCN1CCC(NCc2c(Cl)cccc2CC)CC1 474356102 RYYZYMSAUHRCSS-UHFFFAOYSA-N 292.854 3.642 30 20 CHED C=C(C)[C@@H](N[C@@H](C)C1CCOCC1)c1ccc(F)c(F)c1 474932751 UMCHLEZTZUYTJT-YVEFUNNKSA-N 295.373 3.987 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1F 475589020 JIUFZWCFDICSBG-IOASZLSFSA-N 288.366 3.723 30 20 CHED CCCCCc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1 479521387 DGISZGSOICIERX-UHFFFAOYSA-N 281.359 3.871 30 20 CHED C[C@@H]1CCC[C@@H](C)N1Cc1ccc(Cl)cc1C#N 480780611 OHUDNRBEYHWUQF-VXGBXAGGSA-N 262.784 3.975 30 20 CHED CCC(C)(C)N(C)Cc1ccc(C#N)cc1Br 481139536 JQEUZQOLRMDUBA-UHFFFAOYSA-N 295.224 3.941 30 20 CHED CC#CCCNC(=O)N(CCC)[C@@H]1CCc2ccccc21 483418756 GPKYXIGFFNBUHQ-QGZVFWFLSA-N 284.403 3.509 30 20 CHED C=CCN(Cc1nc(CCCC)no1)CC1CCCCC1 484693711 HYZYPHIAOUFPQO-UHFFFAOYSA-N 291.439 3.981 30 20 CHED C=C(CC)CSCc1nc(Cc2cccc(F)c2)no1 485572513 FKJTVJXOQOQTAD-UHFFFAOYSA-N 292.379 3.999 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)s1 487642223 RADHXYKHLMVZSS-GJZGRUSLSA-N 296.395 3.686 30 20 CHED Cc1cccc(CN(C)c2c(C#N)cccc2C#N)c1C 488477424 JEZRWQHLUBHZPF-UHFFFAOYSA-N 275.355 3.683 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OC(F)F)cc1 489431755 RWYFVOOZVHMKQY-ZDUSSCGKSA-N 267.319 3.829 30 20 CHED C=CC[C@H](C(=O)N1CCOC2(CCCC2)C1)c1ccccc1 489694759 IOIUMTZXISHGSZ-KRWDZBQOSA-N 299.414 3.518 30 20 CHED CCC[C@@H](C(=O)N(C)c1ccc(C#N)cc1)C(C)C 489902227 UVJMPBAYKWZAHM-OAHLLOKOSA-N 258.365 3.593 30 20 CHED C#CCN(C(=O)c1cc2nc(C)ccc2o1)C1CCCCC1 490616968 NFGSJGXXNKYRKE-UHFFFAOYSA-N 296.370 3.544 30 20 CHED C#CCN(C(=O)c1sc(Cl)nc1C)C1CCCCC1 490779597 YLAGBTWTXMYFIG-UHFFFAOYSA-N 296.823 3.513 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](c1ccccc1)C1CC1 494238852 UGAVOZFAUPJSLD-DLBZAZTESA-N 284.403 3.888 30 20 CHED COc1cc(C#N)ccc1CN(C)C[C@H](C)c1ccccc1 501188137 RUPHARNXMKMXBZ-HNNXBMFYSA-N 294.398 3.802 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H]2CC[C@H](F)C2)CCCC1(C)C 512782961 HTKVBORYQQGBRX-IHRRRGAJSA-N 282.403 3.653 30 20 CHED C[C@H](CCN1CCC(CC#N)CC1)c1ccccc1 515412180 RQXRWQZWBXEVHM-OAHLLOKOSA-N 256.393 3.806 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1C[C@H]2C=C[C@H]1C2 516557771 DAPPUGCUVGJJAZ-GBESFXJTSA-N 280.415 3.981 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(CC1CCC1)CC1CC1 517915058 QUDQTWOKPVDXFW-UHFFFAOYSA-N 297.402 3.911 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](C)C(C)(C)C)c1 522335977 IHQJYUVTTUJPRV-LBPRGKRZSA-N 261.365 3.872 30 20 CHED N#CC1CCC(CNC(=O)CC2(c3ccccc3)CC2)CC1 529271447 ZQGSJGJUSNWJIW-UHFFFAOYSA-N 296.414 3.554 30 20 CHED COc1ccc(CN(C)C[C@@H](C)c2ccccc2)cc1C#N 533079721 KOXFEWDQVNFUDM-OAHLLOKOSA-N 294.398 3.802 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCC[C@@H]1[C@@H](C)CC)OCC 534396960 KUTNVHKJNCVYKQ-XHSDSOJGSA-N 281.440 3.785 30 20 CHED C=CC1CCN(Cc2cc(F)c(F)cc2F)CC1 536672318 USTLYSMYERDRIX-UHFFFAOYSA-N 255.283 3.502 30 20 CHED C=CCN(Cc1ccc(C)cn1)CC1CCCCC1 536673372 PRGCOHKESFSCFU-UHFFFAOYSA-N 258.409 3.958 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1cccc(C#N)c1F 537046915 RRTFRQORVQEDQN-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1ccc(C#N)s1 537626531 WGTMTZMGQBAOES-NSHDSACASA-N 286.375 3.878 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)Cc2ccccc21 538736330 UAVLSEUXEHGZEO-UHFFFAOYSA-N 282.412 3.913 30 20 CHED CC(C)C[C@H]1C[C@@H](Nc2cccc(F)c2C#N)CCO1 539594795 ALXONHNLSSBHGL-STQMWFEESA-N 276.355 3.703 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)s1 540895563 PRPMELUXDCAIFF-MEDUHNTESA-N 296.395 3.673 30 20 CHED C=CCCCCNC(=O)CCOc1cccc(Cl)c1 547785295 QCZRJGIWECZNGL-UHFFFAOYSA-N 281.783 3.581 30 20 CHED C=CCCN(c1cccc(CO)c1)C1Cc2ccccc2C1 548424241 WBNPWYCJGGBNMT-UHFFFAOYSA-N 293.410 3.729 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC(C)(C)CC1 549731552 LIPVNHRJZZMAPZ-UHFFFAOYSA-N 276.428 3.604 30 20 CHED CCC(CC)CC(=O)Nc1cc(C#N)ccc1NC1CC1 552239698 KGIFTGOBBCKQHW-UHFFFAOYSA-N 285.391 3.897 30 20 CHED Cc1cc(N2CCC[C@@H]2/C=C\c2ccccc2)cc(C#N)n1 553185553 ZKMHOHRMTQITNY-HJCTWCACSA-N 289.382 3.944 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N[C@@](C)(C#N)C(C)C 554138996 ZASAVWYKYVEMLC-ZBFHGGJFSA-N 290.432 3.612 30 20 CHED C=CCCCC(=O)N1CCC[C@@H](c2ccccc2)C1 554151688 HTWFFEVGPBTEFI-MRXNPFEDSA-N 257.377 3.749 30 20 CHED CN(C(=O)Cc1coc2ccccc12)c1cccc(C#N)c1 560460053 PRHFEGCJXBCKAF-UHFFFAOYSA-N 290.322 3.510 30 20 CHED CC(C)(CC#N)CSCc1ccc([N+](=O)[O-])cc1 563551423 YAUVMDZPPIDJGL-UHFFFAOYSA-N 264.350 3.768 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccc(C)cc2F)cc1 564214800 WHFBVTZMBGGMLK-KRWDZBQOSA-N 296.345 3.691 30 20 CHED CCc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1Cl 565321057 KSUYXXFKZQSKCL-UHFFFAOYSA-N 276.767 3.781 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 568354721 QJVHKRDZCYGUMY-XJKSGUPXSA-N 288.366 3.899 30 20 CHED C=C(C)COc1cc(CNC2(CF)CCC2)ccc1OC 568626956 NXRCMXBTVQTTTD-UHFFFAOYSA-N 293.382 3.632 30 20 CHED C=CCCCC(=O)N(C)c1cc(Cl)ccc1C 570958580 VQDHPRPQIGXFGU-UHFFFAOYSA-N 251.757 3.968 30 20 CHED COCC1(CCN[C@@H](C)c2ccc(C#N)cc2Cl)CC1 571642050 YVEYZNWPMZEBFH-LBPRGKRZSA-N 292.810 3.679 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)C1CCC(C(C)(C)C)CC1 574550218 OHDJPMHNDKGAQH-MQBCKMQZSA-N 278.440 3.990 30 20 CHED N#CC1(CNCC2CCC(c3ccccc3)CC2)CC1 576314479 VCLNMSITMNATPV-UHFFFAOYSA-N 268.404 3.854 30 20 CHED N#Cc1ccc(CSc2nc3c([nH]2)CCC3)c(Cl)c1 580750164 YBEXOBVGBHQSDJ-UHFFFAOYSA-N 289.791 3.716 30 20 CHED N#CC1(CNc2ncnc3sc4ccccc4c23)CCC1 580823775 UXOVIMOZEXJJRM-UHFFFAOYSA-N 294.383 3.950 30 20 CHED CC1(c2ccccc2)CC(NC(=O)CCCCCC#N)C1 588156949 QPBHBMGMDDFGSK-UHFFFAOYSA-N 284.403 3.697 30 20 CHED Cc1cc(/C=C\C(=O)c2cccnc2)ccc1Cl 588410348 HYBQXSKLXZQNRQ-ALCCZGGFSA-N 257.720 3.940 30 20 CHED Cc1nsc(Nc2ccc(C3CC3)cc2)c1C#N 588825541 YHHTWRHJIYNYIH-UHFFFAOYSA-N 255.346 3.944 30 20 CHED N#Cc1ccc(OC[C@H]2CCCOC2)c2ccccc12 591372856 CSLZTUNPTRNHMU-ZDUSSCGKSA-N 267.328 3.517 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)C1CC2(CCC2)C1 592607118 HWTOCGXJQOWSJV-SFHVURJKSA-N 296.414 3.598 30 20 CHED Cc1ccccc1C1(NC(=O)CCCCCC#N)CC1 592672391 OJVZVFUPSWMPHI-UHFFFAOYSA-N 270.376 3.574 30 20 CHED C=CCOc1ccc(C(=O)NCC2(C)CCCC2)cc1 595316575 LWWVJULTNQWWGO-UHFFFAOYSA-N 273.376 3.562 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CC#N)C1 597903589 LARFYTXJJSKQHJ-FHLIZLRMSA-N 296.414 3.505 30 20 CHED C[C@H](CCC#N)Sc1ccc(Cl)cc1C#N 601914622 WIGCKGDUXPAZFH-SECBINFHSA-N 250.754 3.996 30 20 CHED Cn1ccnc1[C@H](N[C@H](CCC#N)c1ccccc1)C1CC1 602581800 KYWQQJWSHOTBGN-IAGOWNOFSA-N 294.402 3.506 30 20 CHED CCSCc1ccc(NCc2cccc(C#N)n2)cc1 602684701 REMRPTXAGNIJKG-UHFFFAOYSA-N 283.400 3.818 30 20 CHED C=CCCCCCN(C)Cc1nc(-c2ccccc2)no1 606902683 PYFSQMGUVGZSHY-UHFFFAOYSA-N 285.391 3.915 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](C)c1ccco1 607482846 XIBZFTIDYSVCDM-HNNXBMFYSA-N 283.371 3.640 30 20 CHED CCC(C)(C)C1CCC(Nc2nccnc2C#N)CC1 608830354 GHVPLQSPTCEXOY-UHFFFAOYSA-N 272.396 3.755 30 20 CHED C[C@@H](CNCc1cccc(OCCCC#N)c1)C1CC1 608861027 JZVXGBHWNSJSHS-AWEZNQCLSA-N 272.392 3.505 30 20 CHED CC[C@@H](CC(=O)N[C@H](C#N)CC(C)C)c1ccccc1 609142406 HWGLGDJIETYDBE-HOCLYGCPSA-N 272.392 3.625 30 20 CHED CC(C)(C#N)CNC(=O)C(C)(C)CCCc1ccccc1 611690196 GUYZOMSTZQNPNU-UHFFFAOYSA-N 286.419 3.701 30 20 CHED CCOc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1C 613255221 IGCVRZDFGMEFHE-UONOGXRCSA-N 258.365 3.888 30 20 CHED CC(C)(C#N)CC[S@](=O)C1CCC(C)(C)CC1 615779550 VCSTUVHHRCVCJT-KRWDZBQOSA-N 255.427 3.644 30 20 CHED C[C@H](CCCC(F)(F)F)N[C@@H]1CCC[C@H](C#N)C1 618578071 YPFFDHXPFIJABA-GRYCIOLGSA-N 262.319 3.779 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CCc1ccccc1)C(F)F 623622717 CCZMTGYZKFYOBE-OCCSQVGLSA-N 296.361 3.517 30 20 CHED C=CCOCCCC(=O)Nc1ccc(Cl)c(C)c1 654248850 VOOWVFUWBRVTJW-UHFFFAOYSA-N 267.756 3.570 30 20 CHED C=CCC1(NC[C@H]2CCC[C@H](C)C2)CCOCC1 657633233 KLHKELUQRRHTCK-GJZGRUSLSA-N 251.414 3.528 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NC1CCN(CCC)CC1 657823079 IHZXTECDUSQVTE-RDJZCZTQSA-N 264.457 3.585 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)C1CCC1 677391317 LJEUASOTJYPXIG-CQSZACIVSA-N 278.440 3.953 30 20 CHED C=C(C)CN1CCC(N[C@@H]2c3ccccc3CC[C@@H]2C)CC1 678769131 LOYWLDJMIXBSDZ-JXFKEZNVSA-N 298.474 3.940 30 20 CHED C=CCN(CCc1ccco1)C[C@@H]1CCOc2ccccc21 679364734 LQKFXOCJDAXRTK-INIZCTEOSA-N 297.398 3.876 30 20 CHED Cc1noc(C)c1[C@H](C)NCC#Cc1cccc(Cl)c1 680380772 HJPUYZOWUCLACH-NSHDSACASA-N 288.778 3.647 30 20 CHED C=CCCOCc1nc(Cc2c(F)cccc2Cl)no1 680655225 UTNJEZOEMIJWKU-UHFFFAOYSA-N 296.729 3.546 30 20 CHED C=CCSc1ccccc1C(=O)NCc1ccoc1C 681596379 JPHVMALWTVSUHQ-UHFFFAOYSA-N 287.384 3.796 30 20 CHED C=CCCN(C)C(=O)c1cc2ccc(F)cc2s1 682427540 XRMVYBZBHKEQKC-UHFFFAOYSA-N 263.337 3.689 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@H](C)C2)c1 726455796 GTDFTPQFJQTMRQ-GXTWGEPZSA-N 272.417 3.533 30 20 CHED C#CCOC(=O)C(CC)(CC)c1ccc(Cl)cc1 727040057 ZZMFTJPIXFHCFL-UHFFFAOYSA-N 264.752 3.574 30 20 CHED Cc1ncccc1/C=C1\C(=O)c2c(O)ccc(F)c2[C@@H]1C 728785758 LVJUKQPDYKRQSH-ZPBHHCQCSA-N 283.302 3.618 30 20 CHED COc1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1F 729150798 MSIXJTAUOIDXEM-MDWZMJQESA-N 282.314 3.965 30 20 CHED C=CCN(CC=C)C(=S)NC[C@@H](CC)CCCC 730591076 HKKRLWPGJUKGFP-AWEZNQCLSA-N 268.470 3.751 30 20 CHED CC(=O)c1ccc(OCc2ccc(OCC#N)cc2)cc1F 731158300 CBRQUUQQAIUCRY-UHFFFAOYSA-N 299.301 3.510 30 20 CHED N#CCCCCOC(=O)c1cccc(OC2CCCC2)c1 731260142 AMVMHDMEYTVYAT-UHFFFAOYSA-N 287.359 3.859 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1ccc(F)cc1C 731315156 ZEOOTCXNPDOJTN-UHFFFAOYSA-N 282.322 3.847 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccc(F)c(Cl)c1 731318565 LCBHVCINBZIWAJ-UHFFFAOYSA-N 281.693 3.849 30 20 CHED Cc1ccccc1C(=NNc1ccc([N+](=O)[O-])cn1)C1CC1 731925607 MSJZNPGKUIMNNF-UHFFFAOYSA-N 296.330 3.524 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1nccs1 732622842 XNGJYQMNYGRXBN-UHFFFAOYSA-N 269.732 3.772 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)C(C)(C)C 734709798 ZVBNQLCBGZOGEI-WDEREUQCSA-N 270.332 3.686 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(OC(F)F)cc2)C1(C)C 736431139 VVRUYFNINHESAQ-CYBMUJFWSA-N 298.333 3.891 30 20 CHED CC(=NNc1ccnc2cc(Cl)ccc12)[C@@H]1CCOC1 741756121 CKZLPYUTJMZMMK-LLVKDONJSA-N 289.766 3.713 30 20 CHED Cc1ncsc1/C=C1/C(=O)c2c(O)ccc(F)c2[C@@H]1C 742432410 WBUPFPCHIJBQOX-AJQDLKILSA-N 289.331 3.680 30 20 CHED O=C(OCC#Cc1ccccc1)c1cnc2ccsc2c1 744052803 XABKAHFYUSCJAK-UHFFFAOYSA-N 293.347 3.505 30 20 CHED CC(=NOCc1cccnc1)c1ccc2ccccc2n1 746588987 WRIKNCDRHNUUQK-UHFFFAOYSA-N 277.327 3.571 30 20 CHED CC(C)[C@H]1CCCC1=NNc1cccc([N+](=O)[O-])c1 747744525 OTFINWIMMXECOA-CYBMUJFWSA-N 261.325 3.819 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)Nc1cc(C)ccc1C 748227375 QXOSMHHNZWZWHQ-AWEZNQCLSA-N 289.375 3.530 30 20 CHED C=CCCCOC(=O)Cc1coc2cc(F)ccc12 748228117 KHBRHXPFLYEHKO-UHFFFAOYSA-N 262.280 3.624 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1ccc2c(c1)CCO2 748997914 LLIROWSICDASJS-DAFODLJHSA-N 285.730 3.566 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2ccc(F)cc2OCC#N)CS1 754145495 TYGATDPDQZVVTD-IUODEOHRSA-N 294.395 3.670 30 20 CHED C=CCc1cc(CN(CC)CCCC)c(O)c(OC)c1 754723524 OASXRLAHVFGPKQ-UHFFFAOYSA-N 277.408 3.751 30 20 CHED C=CCc1cc(CN2CC[C@](C)(CC)C2)c(O)c(OC)c1 754741211 YCVXIOLTLPTNNY-SFHVURJKSA-N 289.419 3.751 30 20 CHED CCCCCCCCNC(=O)N1CCC(OC(C)C)CC1 754866182 TWTQGZJINLVCPP-UHFFFAOYSA-N 298.471 3.946 30 20 CHED Fc1ccccc1NN=Cc1cnc([C@@H]2CCCO2)s1 755628893 NWJWRHSGMAIVPV-ZDUSSCGKSA-N 291.351 3.580 30 20 CHED CC(CC1CC1)=NNc1ccc(C(F)(F)F)cn1 756818937 DMWWZSWJXUOLTB-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@](C)(CC)C1)c1ccccc1 757773838 FLWCZVZJOJHNSI-MJGOQNOKSA-N 298.430 3.973 30 20 CHED C#CC[C@@H](NC(=O)c1cccc2c1CCC2)c1ccccc1 758006681 PDPBJHZLKCRSGK-LJQANCHMSA-N 289.378 3.670 30 20 CHED CC[C@@](C)(NC(=O)c1ccc(CC#N)cc1)c1ccccc1 759014637 SWOOWJXYZKEFHD-LJQANCHMSA-N 292.382 3.808 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)c1ccc[nH]1)c1ccccc1 760430976 YUFILVADPFZFME-ZIAGYGMSSA-N 268.360 3.552 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)C(CC)CC)c1ccncc1 761703419 BGQAFUDMZPNSRR-CZUORRHYSA-N 274.408 3.887 30 20 CHED C#CCN(C(=O)CCCc1csc2ccccc12)C1CC1 763800254 MBGKGKPVQWWCEM-UHFFFAOYSA-N 297.423 3.848 30 20 CHED CCCCCCCCOCC(=O)N[C@H]1CCC(F)(F)C1 763868449 OKVIHLKHSGCAGR-ZDUSSCGKSA-N 291.382 3.668 30 20 CHED CN(C(=O)C=C1CCCC1)c1cc(Cl)ccc1C#N 764273542 SNTDLENENJAUCL-UHFFFAOYSA-N 274.751 3.675 30 20 CHED Fc1ccccc1CCNN=C[C@H]1CCOc2ccccc21 764723172 OEHLVFINJKHCKY-OAHLLOKOSA-N 298.361 3.510 30 20 CHED C#CCN(C(=O)N[C@@H](CC(C)C)c1ccccc1C)C1CC1 764727198 JQKUONNWLUZWOF-SFHVURJKSA-N 298.430 3.889 30 20 CHED Cc1cc(OC(=O)[C@@H]2CSc3ccccc32)ccc1C#N 765095239 UPELWMXFSJETBV-OAHLLOKOSA-N 295.363 3.662 30 20 CHED CCc1cccc(Cl)c1/C=C\C(=O)c1ccnn1C 766039029 YMNNQSOSFSMFJK-FPLPWBNLSA-N 274.751 3.532 30 20 CHED CC(C)(C(=O)NCc1cccc(C#N)c1)C1CCCCC1 766331426 IWHUWVOZPJSHII-UHFFFAOYSA-N 284.403 3.781 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2ccccc2C2CC2)c1 766501366 FVGDCPRFRRNLGB-HJWRWDBZSA-N 296.322 3.840 30 20 CHED CCCOc1ccc(CN(CCC#N)CC(C)C)cc1 767405010 LHYZGUSGSKQYDY-UHFFFAOYSA-N 274.408 3.847 30 20 CHED Cc1cccc(C=NNc2cc(C#N)cc(Cl)n2)c1C 768380608 RPPDQOLBXUGUAW-UHFFFAOYSA-N 284.750 3.670 30 20 CHED N#CCC[C@H](NC1CC(C(F)F)C1)c1ccccc1 769532271 OKQBQVGFVJPPKU-RUXDESIVSA-N 264.319 3.665 30 20 CHED C=CCCCCNC(=S)Nc1cccc(OCC)c1 769759771 FKWIGPXNYYDKEZ-UHFFFAOYSA-N 278.421 3.728 30 20 CHED N#Cc1ccc(CNN=C2CCC[C@H]2c2ccccc2)cc1 769820947 NNNKMAHSADENFK-SFHVURJKSA-N 289.382 3.972 30 20 CHED CCO[C@@H]1CC(=NNc2c(C)cccc2F)C12CCC2 769840971 QLPKNLILCSWASQ-CQSZACIVSA-N 276.355 3.881 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(F)cc1C)c1ccncc1 771350212 PIARUEWQKCLEIC-MRXNPFEDSA-N 284.334 3.576 30 20 CHED C=CCC(CC=C)C(=O)OCc1ncc(Cl)s1 772185739 LDAXVYRRYZQCQR-UHFFFAOYSA-N 271.769 3.608 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1sccc1O 773147894 CSVMXWNGNNZCBT-AATRIKPKSA-N 281.336 3.898 30 20 CHED CC(=C/c1ccccc1)/C=C1/C(=O)Nc2cc(C#N)ccc21 773160425 LRLDBLOGPXZVIX-HTJMLESZSA-N 286.334 3.997 30 20 CHED C#C[C@@H](C)NC(=O)N(CCC)[C@@H](CC)c1ccccc1 773592180 DQWIMTHKTYCMOB-ZBFHGGJFSA-N 272.392 3.581 30 20 CHED C#C[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 773592315 FOAPFSMTAROKSQ-PBHICJAKSA-N 284.403 3.678 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)C2CCCCC2)c1 774113919 IZFGWXHTAREKBN-KTKRTIGZSA-N 258.317 3.547 30 20 CHED Cc1ccc(F)c(C(=O)OCc2cccc(C#N)c2F)c1 774940457 ASRUWTFQEFPGHQ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC(C)(C#N)CCOC(=O)CCCC1CCCC1 776391365 LQIFIBZUAIPKDF-UHFFFAOYSA-N 251.370 3.830 30 20 CHED FC(F)(F)CCON=Cc1coc2ccccc12 777458887 FKJGTXDTPZTHCO-UHFFFAOYSA-N 257.211 3.736 30 20 CHED C=CC[C@H](C(=O)OCc1ccc(C)cn1)c1ccccc1 778428727 UCAJUOWZBBSKFW-KRWDZBQOSA-N 281.355 3.793 30 20 CHED C#CCCCCCC(=O)N(C)c1ccc(F)c(F)c1 779861621 XJTYFZRTJZSURV-UHFFFAOYSA-N 265.303 3.511 30 20 CHED C[C@]1(c2ccccc2)CCC(=NNc2ncc(F)cn2)C1 780237623 SZLKQHLIEJGZTH-INIZCTEOSA-N 284.338 3.525 30 20 CHED CCCCCCCOC(=O)C(C)(C)c1cccnc1 781256168 KDOVTDQGHRWGBS-UHFFFAOYSA-N 263.381 3.873 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1sccc1Cl 782354763 QHAUDDIXXSCKLE-UXBLZVDNSA-N 286.743 3.766 30 20 CHED CC(C)(C)CCNN=Cc1ccnc2ccccc12 782902504 BCPPMUDDNVFSBU-UHFFFAOYSA-N 255.365 3.595 30 20 CHED C=CCCCCCOC(=O)[C@@H]1CCOc2ccccc21 783443126 ZFBHPVSMBMEAOR-OAHLLOKOSA-N 274.360 3.842 30 20 CHED C(=NNC1CCCCC1)c1c(C2CC2)nc2sccn12 786040459 NFPVDYCHDYOIMR-UHFFFAOYSA-N 288.420 3.529 30 20 CHED C/C(C=NOCC(F)(F)F)=C\c1cccc([N+](=O)[O-])c1 787161427 CCJRAQWIYMLGOA-VRNVPQLLSA-N 288.225 3.563 30 20 CHED CCC(=NNc1cccc2ccccc12)c1cn[nH]c1 789001084 WHHFYFLSHWSSCL-UHFFFAOYSA-N 264.332 3.789 30 20 CHED CC[C@@H](C)NN=Cc1csc(-c2cccc(OC)c2)n1 790189852 RDJMIGPUWLVBEQ-LLVKDONJSA-N 289.404 3.541 30 20 CHED CC(CN1Cc2ccccc2C1)=NNc1cccc(F)c1 792629750 OXERMZJGBPWMJW-UHFFFAOYSA-N 283.350 3.629 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC3(CC2)CC3)n1 792636536 ZRHCWEVEPYAUOM-UHFFFAOYSA-N 264.760 3.561 30 20 CHED CC(C)[C@@H]1CC(=NNc2ncncc2F)c2ccccc21 793217200 BTPNKUFGGVAHCL-ZDUSSCGKSA-N 284.338 3.575 30 20 CHED CCC(=NNc1ncccc1F)c1ccc(F)cc1 794980445 LDRFTARZJVOWCW-UHFFFAOYSA-N 261.275 3.586 30 20 CHED C=CCNN=Cc1ccc(-c2cccc(F)c2)s1 794999066 WIHGXLIAPBXNCU-UHFFFAOYSA-N 260.337 3.664 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H]1CCC(F)(F)C1 796376421 HZMUVFIKCXWYJE-NSHDSACASA-N 273.323 3.685 30 20 CHED CCCCCCNC1CCN(c2ccc(C#N)cc2)CC1 796666227 OBNJDMDZEBBNEM-UHFFFAOYSA-N 285.435 3.697 30 20 CHED N#Cc1ccc(Cl)cc1N1CC[C@H](c2ccccn2)C1 798414896 CWRVVLMZTRBOKS-ZDUSSCGKSA-N 283.762 3.601 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1coc(C(C)C)n1 799487373 LPUURLUEBDDUPU-CYBMUJFWSA-N 263.385 3.690 30 20 CHED Cc1cc(C)cc(OCCCSCCO[C@H](C)C#N)c1 802749435 CKWWJLGLWOBOHH-OAHLLOKOSA-N 293.432 3.734 30 20 CHED N#Cc1ccc(Sc2nc(Cl)c(C#N)s2)cc1 804373643 WZAPLZKCTLOFMJ-UHFFFAOYSA-N 277.761 3.691 30 20 CHED C=CCCCCCCNC(=O)c1ccc(C=NOC)cc1 805217883 NHUBXECLHFOYBW-UHFFFAOYSA-N 288.391 3.533 30 20 CHED C=CCCCCCCCCNC(=O)[C@H]1CCO[C@@H](C)C1 805277845 KTVBFTBRNZCSSZ-HOTGVXAUSA-N 281.440 3.834 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C(C)(C)C 807878336 LTSPKNQAIBRAKB-KFWWJZLASA-N 289.806 3.608 30 20 CHED CCCCc1ccc(OC(=O)c2cnccc2C#N)cc1 808632800 FYMPFDZXPHJZKQ-UHFFFAOYSA-N 280.327 3.515 30 20 CHED C#CCCOc1ccc(CN(C)[C@@H](CC)CSC)cc1 809767981 ZGZZRHQFCPLRIS-INIZCTEOSA-N 291.460 3.662 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc(Cl)o2)no1 810308640 BJEYHEPHSIJUBK-UHFFFAOYSA-N 284.702 3.555 30 20 CHED C[C@H](OC(=O)[C@@H]1CCCCCC(=O)C1)c1cccc(C#N)c1 811383809 MJWCHLYHNNLMCL-XJKSGUPXSA-N 299.370 3.702 30 20 CHED c1ccc([C@@H]2CCCC2=NNC[C@@H]2CCSC2)cc1 811661190 GFLNMFLVJXGLMF-ZFWWWQNUSA-N 274.433 3.653 30 20 CHED Cl/C=C/CON=CCSCc1ccccc1 811671466 FYZCJENPOFKBEW-SSSAHOFISA-N 255.770 3.675 30 20 CHED C=CCCCCCCCN1C(=O)CN([C@H](C)CC)C1=O 811841750 RJBNJEJKIKLGJM-CQSZACIVSA-N 280.412 3.576 30 20 CHED C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 812185387 QDRWWYMOZMOWNX-GJZGRUSLSA-N 298.430 3.505 30 20 CHED N#Cc1cccc(C(=O)Nc2cnc(Cl)cc2Cl)c1 813382462 SLYZOALOJIYOQX-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C#C[C@@H](Nc1ccc(C#N)c(C)n1)c1ccc(Cl)cc1 813607483 MGXZCWYKEZIWFE-OAHLLOKOSA-N 281.746 3.702 30 20 CHED C=C(C)COc1cccc(NC(=O)NOC[C@H](C)CC)c1 814631352 YVVFFOYIDUBJKR-CYBMUJFWSA-N 292.379 3.741 30 20 CHED Nc1ccc2c(c1)C(=NOCc1ccccc1)CCC2 814791806 MULNYQMYVBOFKJ-UHFFFAOYSA-N 266.344 3.526 30 20 CHED CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNC1CCCC1 814833022 UNMBLRQMNHBHPU-YJBOKZPZSA-N 286.419 3.857 30 20 CHED C#CCOc1ccc(-c2nc(C(C)(C)CC=C)no2)cc1 815706499 MAWJABYIFKJKER-UHFFFAOYSA-N 282.343 3.602 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@H](C)C1CCCCC1 816594151 RDGSBLKFAJSBCX-LLVKDONJSA-N 259.340 3.625 30 20 CHED CCCCCC(C)=NNC(=S)NCc1ccccc1 818217223 RHJSHKYLWRUNHA-UHFFFAOYSA-N 277.437 3.607 30 20 CHED CCCCCCCCNC(=O)[C@H]1CCc2cccnc21 819917100 SFMGSMFUZRHFIL-HNNXBMFYSA-N 274.408 3.588 30 20 CHED COc1ccc([C@@H]2CCCCCN2C(=O)C#CC(C)C)cc1 820014796 CDBKMIMJUYXNOQ-SFHVURJKSA-N 299.414 3.798 30 20 CHED COc1cc(C(=O)/C=C/c2c(Cl)cccc2Cl)on1 821021528 HFAYTTUOLTXKNJ-AATRIKPKSA-N 298.125 3.886 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cccc2cccnc12 821444705 NPVLIYCKOCCLOB-UHFFFAOYSA-N 269.344 3.880 30 20 CHED C#C[C@H](OC(=O)[C@@H]1CSc2ccccc21)c1ccccc1 821613047 USCIRAIVXSMANV-CVEARBPZSA-N 294.375 3.794 30 20 CHED CC(C)C#CC(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 822373000 VRFQQDFIDUJVSN-INIZCTEOSA-N 298.430 3.659 30 20 CHED C=CCCCC[C@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 823683939 MQMLGDCXEHRDFE-QWHCGFSZSA-N 288.391 3.953 30 20 CHED CC(C)(C)C[C@H](Sc1ccc(C#N)cc1F)C(=O)O 833430440 WPNTZOBDRWCIFE-LBPRGKRZSA-N 281.352 3.679 30 20 CHED CCCCc1ccc(C(=O)/C=C/c2c(C)nnn2CC)cc1 834408698 MRVWFZXAKDYHNX-OUKQBFOZSA-N 297.402 3.845 30 20 CHED COC[C@H](C)NN=C1CC=C(c2ccc(Cl)cc2)CC1 834969706 DPPMXLNIZWSYKI-LBPRGKRZSA-N 292.810 3.888 30 20 CHED Cc1cc(Cl)ccc1C=NN[C@@H](C)C(F)(F)F 834997698 IEHBYPFEEMFTIV-QMMMGPOBSA-N 264.678 3.523 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1nc(C)cs1 835038328 VWGIMGIPAWOXBG-UPJWGTAASA-N 276.405 3.844 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 835173160 ODOWUOCRUUDBRM-MGPQQGTHSA-N 295.386 3.874 30 20 CHED C=CCCc1ccccc1NC(=O)NOCCC1CC1 836600371 SWVAWAOXMUDXTO-UHFFFAOYSA-N 274.364 3.658 30 20 CHED CC1(C)CCC[C@H](CNC(=O)Cc2ccccc2CC#N)C1 837117065 OJNYEAMGXKKOTL-HNNXBMFYSA-N 298.430 3.628 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 837396608 TXJVOAHXMDPCCQ-QGZVFWFLSA-N 287.378 3.833 30 20 CHED C=CC(C)(C)C(=O)OCc1nc(C(C)(C)C)cs1 837864938 SVUQXYZDVVYJMK-UHFFFAOYSA-N 267.394 3.696 30 20 CHED C=CCC1(C(=O)OCc2nnc(C(C)(C)C)o2)CCCC1 838281090 YCDPQILKIUEAKR-UHFFFAOYSA-N 292.379 3.547 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3cnco3)cc2)C1 839049791 SKQFKRSKEKUPCF-WFASDCNBSA-N 296.326 3.581 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1F)c1ccccc1OC 840243088 IVDHYCPOEDYYRJ-CQSZACIVSA-N 285.322 3.664 30 20 CHED N#CCC[C@@H](Nc1ncc2c(n1)CCCC2)c1ccccc1 840277560 UTYGRYJLTBFMCI-MRXNPFEDSA-N 292.386 3.812 30 20 CHED N#CC1(CCOC(=O)c2ccc3cc[nH]c3n2)CCCCC1 840432250 MFDDOFWGGRMLSJ-UHFFFAOYSA-N 297.358 3.584 30 20 CHED Oc1ccc2ccccc2c1/C=N/CC[C@H]1C[C@H]2CC[C@H]1O2 840712484 YYQWSMJQRYQEHV-JTINDMHOSA-N 295.382 3.922 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1ccc(C)cc1O 840787757 PIGPGMUJRZUXKF-CQSZACIVSA-N 260.381 3.681 30 20 CHED Clc1cccc([C@@H]2CCC(=NNc3cccnn3)C2)c1 841625159 DRBVPZJZDZKTJE-GFCCVEGCSA-N 286.766 3.866 30 20 CHED CC(CCCCC#N)=NNc1cccc([N+](=O)[O-])c1C 841626266 FQQVLBDPNIOMRS-UHFFFAOYSA-N 274.324 3.775 30 20 CHED CC1(C)C[C@H](C(=O)OC2(CC#N)CCC2)c2ccccc2O1 842352933 MAXCAZOOJPYSIC-AWEZNQCLSA-N 299.370 3.711 30 20 CHED Cc1c(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)cccc1C(=O)O 844625269 XXQFHGZXBLLQJZ-AVGNSLFASA-N 272.348 3.527 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CC[C@H]2SCCS[C@@H]12 846754857 UVBDVUWEMGYTOC-KFWWJZLASA-N 290.457 3.658 30 20 CHED Cc1cccc(-c2cccc(CN=C(N(C)C)N(C)C)c2)c1 849072943 SSSDJJZUWPOGSW-UHFFFAOYSA-N 295.430 3.641 30 20 CHED O=C(/C=C/c1ccnn1CC1CC1)c1ccc(Cl)cc1 849240453 OAQCJJZHQZWFAS-BQYQJAHWSA-N 286.762 3.843 30 20 CHED C=CCCC(C)(C)NCc1ccc(OCC)cc1O 850417136 MGJYQGYFMZTHDL-UHFFFAOYSA-N 263.381 3.625 30 20 CHED CCCn1nccc1/C=C1/C(=O)c2ccccc2[C@H]1C 853007792 DWHMXCQANBVEIK-PILJQMSFSA-N 266.344 3.677 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccsc2Cl)C1 853129160 FQLLICLWXMLGGP-RKDXNWHRSA-N 269.753 3.641 30 20 CHED Fc1cccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)c1OC(F)F 853328111 MZQUJCURGMSPOU-KWBADKCTSA-N 298.308 3.539 30 20 CHED COc1ccc(-c2ccc([C@@H](O)C3CC3)cc2)c(C#N)c1 854196305 VIABMFYWXHMVQR-GOSISDBHSA-N 279.339 3.677 30 20 CHED C#CC[C@@H](NC(=O)OCCC(C)C)c1ccccc1 859081474 PEPBKGAKKKINIE-OAHLLOKOSA-N 259.349 3.523 30 20 CHED C=C(Cl)CSC[C@@H](OC)c1ccc(F)cc1 863399044 SMQOJRBVIFCERR-GFCCVEGCSA-N 260.761 3.999 30 20 CHED C[C@H](NC(=O)OC1CCCCC1)c1cccc(C#N)c1 866897450 CYPFKSKCNXMZBY-LBPRGKRZSA-N 272.348 3.678 30 20 CHED C[C@@H](CCC#N)CN[C@H](c1ccccc1)C1CCOCC1 877042768 WRDLJJGJPXHVAU-MAUKXSAKSA-N 286.419 3.684 30 20 CHED C#CCCCCCCNC[C@H](C)c1ncc(C)s1 877340113 GHXYNGHDXQLROF-ZDUSSCGKSA-N 264.438 3.728 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H](C)c2ccccc2O)cc1 877756550 QXJMYXKETRJYAE-UONOGXRCSA-N 296.370 3.534 30 20 CHED C=CCC1(O)CCN([C@@H](C)c2ccccc2Cl)CC1 886759765 OYVNXDROUXADFA-ZDUSSCGKSA-N 279.811 3.804 30 20 CHED C=C1CCC(C(=O)O[C@H](CC)c2ccncc2)CC1 891440559 YANHIJWNOMFHDI-OAHLLOKOSA-N 259.349 3.822 30 20 CHED CCCCC1CCC(C(=O)N(CC#N)c2ccccn2)CC1 892467788 KAUSXNGBWIVVEF-UHFFFAOYSA-N 299.418 3.935 30 20 CHED C=CCC1(C(=O)Nc2nn(C(C)C)cc2Cl)CCC1 894881949 TVRTZBAZJHVHCS-UHFFFAOYSA-N 281.787 3.802 30 20 CHED CC(C)[C@@H](Nc1ccc(C#N)cc1Cl)c1cnn(C)c1 896422028 GCQBWXOFGQNKHC-OAHLLOKOSA-N 288.782 3.754 30 20 CHED C=C1CC(c2noc(C3(CCOCC)CCCC3)n2)C1 896881760 FVXBLGVFKRTZOW-UHFFFAOYSA-N 276.380 3.742 30 20 CHED C[C@@H]1/C(=C/c2cnn(C3CCC3)c2)C(=O)c2ccccc21 899372377 CQASFYCSMFYKAZ-CHROMADKSA-N 278.355 3.992 30 20 CHED N#CC1(CCCC[S@](=O)CC=C(Cl)Cl)CCC1 899419557 QGIRQXGKRJBDLL-KRWDZBQOSA-N 294.247 3.918 30 20 CHED C=C(C)CNC(=S)Nc1cccc(OC(C)(C)C)c1 899647053 HLNODCODMYMRIY-UHFFFAOYSA-N 278.421 3.726 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2ccsc2C#N)c(C)s1 906067161 QDWJSNHQXUEUSE-SECBINFHSA-N 290.413 3.789 30 20 CHED N#CC1(CCCCOC(=O)c2ccc(O)cc2F)CCC1 909136768 YWXGXSLNQPNGNK-UHFFFAOYSA-N 291.322 3.552 30 20 CHED CCC(C[C@@H](C)CC)=NNc1cccc(C(=O)O)c1 915935206 APBUYBPVAQHKBM-NSHDSACASA-N 262.353 3.999 30 20 CHED C[C@@H](C=NNc1nc2ccccc2n1C)c1ccccc1 915971192 HZFDIYUYGNXVJY-ZDUSSCGKSA-N 278.359 3.775 30 20 CHED CCCc1ccc(C(=O)/C=C/c2c(C)n[nH]c2C)cc1 915985515 MSDZSSXRMGHYFR-ZHACJKMWSA-N 268.360 3.875 30 20 CHED N#C[C@@H](C(=O)C=C1CCCC1)c1ccc2ccccc2n1 918482794 WXLSJXHGNFHCCW-OAHLLOKOSA-N 276.339 3.911 30 20 CHED CCCCCCCC(=O)O[C@H](C)C(=O)N1CCC(C)CC1 919222247 RAGGZIJIULXUSJ-OAHLLOKOSA-N 297.439 3.537 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](CN1CCCC1)c1ccccc1 924604214 LVXNFYDNMHGINP-SJLPKXTDSA-N 299.462 3.741 30 20 CHED CO[C@H](CN[C@@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 925158969 VYTAYIXVZKOQTH-SWLSCSKDSA-N 294.826 3.945 30 20 CHED CC(C)Cc1ccc(C(=O)N(CCC#N)C(C)C)s1 931326114 MPLXWDZLNQNLDN-UHFFFAOYSA-N 278.421 3.711 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 935580565 JLJLHXMEMCVZDV-QWRGUYRKSA-N 277.330 3.778 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)c2ccc(C)cc2)c1 1116266933 VVXCQYWEFYBZTQ-FLIBITNWSA-N 280.323 3.678 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(C(C)(C)C)nn2)[C@@H]1C 1116515485 HQEHLVODUQLIQB-VXGBXAGGSA-N 274.412 3.998 30 20 CHED CC(C)c1occc1C(=O)O[C@@H](CC#N)c1ccco1 1123369886 QAILYKLGKYHAMR-ZDUSSCGKSA-N 273.288 3.808 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1F 1129603145 NLJSJKNODJLFOI-OLZOCXBDSA-N 274.339 3.852 30 20 CHED N#Cc1cc(C(=O)OCc2c(F)cccc2Cl)cs1 1132303402 WNOPENLPQDHOKR-UHFFFAOYSA-N 295.722 3.769 30 20 CHED N#Cc1ccnc(CSc2c(F)cc(F)cc2F)c1 1165552911 CHQWJBOIOQIBOO-UHFFFAOYSA-N 280.274 3.663 30 20 CHED CC[C@@H]1CC[C@@H](C)N(CCc2ccc(C#N)cc2)C1 1196174991 DHLYHGPCVMMXOB-HUUCEWRRSA-N 256.393 3.611 30 20 CHED Cc1cccc2c1N(C(=O)Nc1cccc(C#N)c1C)CC2 1201839168 MAKVFLHJOIVTMP-UHFFFAOYSA-N 291.354 3.770 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 1262609032 BEYNXGSTWKIBCI-HIFRSBDPSA-N 275.367 3.886 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(OC)c1C 1263645953 IDISEQFUJXUXOM-AWEZNQCLSA-N 288.391 3.966 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1ccc(C#N)c(F)c1 1274874819 AFEGMWGFYLCNRO-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C[C@H](OC(=O)[C@@H](CC#N)c1ccccc1)c1cncc(F)c1 1275510104 NTQFTMZVBALBPV-LRDDRELGSA-N 298.317 3.522 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1cccc(CC#N)c1 1310746417 DKCMYEWABBBPCC-UHFFFAOYSA-N 293.370 3.725 30 20 CHED CC(C)N(CCc1ccccc1)C(=O)C#Cc1ccccc1 1318953502 RYXGRKDMTAWYLD-UHFFFAOYSA-N 291.394 3.518 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccn(C2CCCCC2)n1 1321168990 DIQXZNOZMGRCJZ-CYBMUJFWSA-N 290.411 3.865 30 20 CHED N#C[C@H]1CCC[C@H](NCCCCOc2ccccc2)C1 1321277272 OLIXQYYFIUBKFU-HOTGVXAUSA-N 272.392 3.518 30 20 CHED CSc1ccccc1C(C)=NNc1ccc(Cl)nn1 1321668534 JPGMPTFBRJHVPY-UHFFFAOYSA-N 292.795 3.688 30 20 CHED Oc1ccc(Br)cc1/C=N/[C@@H]1C=CCCC1 1322495223 KVQOORFSMOZQKI-KMHUVPDISA-N 280.165 3.682 30 20 CHED C[C@@H](Oc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322511157 ZTFKPMHGFBGDPC-GFCCVEGCSA-N 291.310 3.748 30 20 CHED CC(C)C[C@H](C)Cc1nnc(-c2cccc(C#N)c2)o1 1322585055 IRJAFNOBWZDLHL-LBPRGKRZSA-N 269.348 3.833 30 20 CHED N#CC1(CC(=O)N2CC[C@H]3CCCC[C@H]3C2)CCCCC1 1331310545 OQYGWZMFPWZDGY-CVEARBPZSA-N 288.435 3.889 30 20 CHED C=CCC1(NC(=O)c2c(F)cc(OC)cc2F)CCCC1 1339083797 ALLOJVDFXAJQBI-UHFFFAOYSA-N 295.329 3.592 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)OCc1ccc(C#N)cn1 1344507544 QFUATPBLOZEQGR-CQSZACIVSA-N 286.375 3.769 30 20 CHED CC(C)(C#N)COC(=O)c1ccc(Cl)c2occc12 1344639053 ITYLPWOLCLCMDK-UHFFFAOYSA-N 277.707 3.793 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)[C@@H](C)c1cccs1 1345045583 OBWCJBVKVDKAKT-KGLIPLIRSA-N 299.395 3.620 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H](c1ccccc1)C(C)C 1347337596 KGGUFAQAFPDFKB-HZPDHXFCSA-N 295.386 3.519 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1ccccc1C#N 1349673871 QOCFTGNIUIHGPO-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED N#C[C@@H](NC(=O)CC/C=C/c1ccccc1)C1CCCC1 1350306278 UTHGHNJAOSLLBB-PEJPJJPESA-N 282.387 3.679 30 20 CHED Cc1ccc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)nc1C 1438271980 LRVRUJWYPPMJSI-UHFFFAOYSA-N 299.761 3.500 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)NCC1CCCCCC1 1449663642 WQXYJFYKDGMMNI-GOSISDBHSA-N 298.430 3.846 30 20 CHED COc1cc(C#N)ccc1CN[C@]1(C)CCCC[C@@H]1C 1460213783 RBGGXMMTMOFHRQ-SUMWQHHRSA-N 272.392 3.625 30 20 CHED CCCc1sc(C(=O)Nc2cccc(C#N)n2)cc1CC 1526553203 VNSRQVUSRSSGRS-UHFFFAOYSA-N 299.399 3.782 30 20 CHED Cc1cc(C(=O)Nc2cccc(CC#N)c2)cc(C)c1F 1587610191 SVISLDUWPXBUIN-UHFFFAOYSA-N 282.318 3.761 30 20 CHED C[C@@H](Cc1ccc(NCC(C)(C)CCC#N)cc1)C(=O)O 1592877084 IVMZNWCCWGSKSJ-ZDUSSCGKSA-N 288.391 3.692 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1F 1595562949 AANRHAYPXAVRTD-WBMJQRKESA-N 288.366 3.738 30 20 CHED N#Cc1c[nH]ccc1=N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 1612487669 JEEMIVOFFFMADR-BBRMVZONSA-N 297.789 3.777 30 20 CHED CCCOC1(CN[C@H]2CCC[C@@H](C#N)C2)CCCCC1 1621313568 GYQBOGYIXPUYIH-CVEARBPZSA-N 278.440 3.788 30 20 CHED N#Cc1cc(N2CCc3c2cccc3C(F)(F)F)ccn1 1639764793 CPEHWEUFOBIWGL-UHFFFAOYSA-N 289.260 3.666 30 20 CHED C[C@H](NCc1cccc(C#N)c1)[C@@H]1CCC[C@@H](C)C1 1646205509 XHKYZNDRHSNAGJ-JKIFEVAISA-N 256.393 3.863 30 20 CHED N#Cc1cccc(C(=O)Nc2cc(F)ccc2NC2CC2)c1 1648422666 GZIXPNFXLNLXGU-UHFFFAOYSA-N 295.317 3.524 30 20 CHED N#Cc1cncc(NCC2CCC(c3ccccc3)CC2)n1 1650738166 ZICNEBRNDPIMNU-UHFFFAOYSA-N 292.386 3.734 30 20 CHED CC(C)[C@H]1CCC[C@@H]1NCc1ccc(C#N)c(F)c1 1659457853 IPDFBSVAMJNQKT-ZBFHGGJFSA-N 260.356 3.612 30 20 CHED CNc1ccccc1CN(C)[C@H](C)c1cccc(C#N)c1 1659503732 ODOURWSAOLELAH-CQSZACIVSA-N 279.387 3.793 30 20 CHED CC1(C#N)CN(Cc2cccc(COc3ccccc3)c2)C1 1659977696 COWRXAQHGUSTRK-UHFFFAOYSA-N 292.382 3.611 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(F)cc(C#N)c1 1664072459 YFOISRHPCGIXIM-LBPRGKRZSA-N 297.333 3.922 30 20 CHED CCC[C@H](NC(=O)Nc1cccc(C#N)c1)C(C)(C)C 1667579687 QLKMEVLXUOVPSK-AWEZNQCLSA-N 273.380 3.895 30 20 CHED CC1(C)[C@H]2CC(=NNc3ccc(Cl)c(C(=O)O)c3)C[C@@H]21 1776034440 HHPLLDQTVHZMIU-RYUDHWBXSA-N 292.766 3.872 30 20 CHED C[C@H]1CCCC(=NNc2ccc(CC(=O)O)cc2)CC1 1776085682 FBGUDGUKGZUAMU-LBPRGKRZSA-N 274.364 3.682 30 20 CHED C=CCCC1(C(=O)O)CCN([C@H](C)c2ccccc2)CC1 1776167952 IYWZRSWZLHZTQL-OAHLLOKOSA-N 287.403 3.881 30 20 CHED C=CCc1ccccc1OCC(=O)N[C@H](C)c1ccccc1 1284739 HMQSGTHINNACFW-OAHLLOKOSA-N 295.382 3.671 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(N(C)C)cc2)c1 7586604 GRNOWPDROZBPDU-KPKJPENVSA-N 281.355 3.657 30 20 CHED CCOc1ccccc1NC(=O)Nc1cccc(C#N)c1 51124180 YUTFJCRGNXBCCF-UHFFFAOYSA-N 281.315 3.601 30 20 CHED Cc1cc(C)c(C#N)c(SCc2noc3c2CCCC3)n1 108659480 XEHQLGOMHBRJPK-UHFFFAOYSA-N 299.399 3.729 30 20 CHED C=CCN(CC=C)C(=O)Cc1c(C)nc2ccccc2c1C 57612163 GSAUFGQONFIBRO-UHFFFAOYSA-N 294.398 3.595 30 20 CHED COc1c(Cl)cccc1NC(=O)c1sccc1C#N 52032658 FPUPMWVQTPABJA-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC(C)(C)c1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)s1 119790307 TVKDPOCMPYQNLK-NSHDSACASA-N 278.421 3.714 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(C)c(Oc2ccncc2)c1 116858838 HSJLQOICCZTQTK-AWEZNQCLSA-N 296.370 3.877 30 20 CHED C=CCN(C(=O)/C=C/c1cnc(C)s1)c1ccccc1 112233080 WZAGJQBTAXWKLR-MDZDMXLPSA-N 284.384 3.684 30 20 CHED CN(C(=O)/C=C/c1ccc(Cl)cc1)c1cccc(C#N)c1 63324674 WYXOMLBVVBQIGX-JXMROGBWSA-N 296.757 3.888 30 20 CHED C#CCCCCNC(=O)N1CCC(c2ccccc2C)CC1 177240680 PCZUELOHNKRMCS-UHFFFAOYSA-N 298.430 3.688 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1Cc2ccccc2S1 69177752 UVOOWJDAAJNAQQ-INIZCTEOSA-N 294.379 3.522 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)c(C)n1)c1ccc(C)cc1 68348035 DGARTISNEXQFAA-KRWDZBQOSA-N 294.354 3.878 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(Cl)c2)C1 116808353 OUXZCMYFYOPGKZ-XHDPSFHLSA-N 276.767 3.542 30 20 CHED Cc1c(Cl)cccc1-n1ccnc1S[C@H](C)C#N 28302663 FNHXFQOAKTXRIM-SECBINFHSA-N 277.780 3.838 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(N(C)CCC#N)cc2)C1 73650787 KSDMJKLHIBZJOX-NVXWUHKLSA-N 285.435 3.705 30 20 CHED C[C@H](Cc1nc2ccccc2s1)Nc1ncccc1C#N 301098209 NIZSPGLQHFDWMM-LLVKDONJSA-N 294.383 3.606 30 20 CHED C[C@@H](OC(=O)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 175790997 XIVDADZWEBKRFR-SNVBAGLBSA-N 287.265 3.754 30 20 CHED CCN(c1ccc(NC(=O)C2(C#N)CCCC2)cc1)C(C)C 29971702 YMUOBESOWOMXDH-UHFFFAOYSA-N 299.418 3.944 30 20 CHED N#CCN(CCCOc1ccc2ccccc2c1)C1CC1 68969994 NAXTWAZMALDUGA-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C[C@@H](c1ccsc1)N1CCN(c2ccc(C#N)cc2)CC1 302181739 QWZNPIKFPGUKJB-AWEZNQCLSA-N 297.427 3.503 30 20 CHED C#CCCCN[C@H](C)c1ccc(N2CCCCC2)cc1 178052586 CULGSPQZVHAWNB-MRXNPFEDSA-N 270.420 3.741 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2ccc(C)o2)s1 181723463 NMBOHQHAOWMUHQ-JTQLQIEISA-N 275.329 3.776 30 20 CHED COc1ccccc1C[C@@H](C)N(C)Cc1ccc(C#N)cc1 173004392 URNLRZWSOPHEOX-OAHLLOKOSA-N 294.398 3.630 30 20 CHED C=CCOc1ccc(COC(=O)c2cc(C#N)cs2)cc1 183575635 NYEYPMDLIGZZSL-UHFFFAOYSA-N 299.351 3.542 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1c(Cl)cnn1C)C2=O 122712422 SWMQFYRISCXMOO-VPMLRQHESA-N 286.762 3.765 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@@H]1c1c(F)cccc1F 301321636 SXQSGEJTDUMAKP-BJOHPYRUSA-N 288.272 3.944 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3ccccc32)c(F)c1 35181250 IAVVLDITUBQTIN-SFHVURJKSA-N 280.346 3.865 30 20 CHED C[C@@H]1CC[C@H](Nc2nc(Cl)c(C#N)s2)[C@H](C)C1 300143312 WGVJZNGVMVEJBP-HLTSFMKQSA-N 269.801 3.905 30 20 CHED CCCN(C)c1c(C#N)cnc2ccc(Cl)cc12 301427055 ULIQWHOARSENPF-UHFFFAOYSA-N 259.740 3.606 30 20 CHED C=CCCCCNc1ccc2nnc(-c3ccccc3)n2n1 302238144 GYGCGFUYRJVHLS-UHFFFAOYSA-N 293.374 3.560 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCCc3sccc32)CC1 124123086 WXSJTMJVSRIRCJ-AWEZNQCLSA-N 275.417 3.593 30 20 CHED N#CCc1ccc(NC/C=C/c2ccccc2[N+](=O)[O-])cc1 185154409 ANNFSCOWBSYQQA-HWKANZROSA-N 293.326 3.786 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2ccccc2C1 189340423 PBGPULNHLKDZRF-CQSZACIVSA-N 262.356 3.678 30 20 CHED CC#CCCCC(=O)N(C1CC1)[C@@H](C)c1ccco1 185468394 RZCXMDOVSUSGLX-ZDUSSCGKSA-N 259.349 3.525 30 20 CHED N#Cc1cccc(CNC/C=C/c2ccc(F)cc2)c1 126683563 OBHZWVBOZQHDBG-GORDUTHDSA-N 266.319 3.500 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@H](C)c1ccccc1 502469204 NQONORIMDHFCIN-WMLDXEAASA-N 272.392 3.625 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC12CCCCC2 411004751 XOKSYZNFPBKVQP-INIZCTEOSA-N 294.398 3.808 30 20 CHED C=C(C)[C@@H](NCC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 187769005 RGIJRMYPNKGGRF-OAHLLOKOSA-N 297.345 3.513 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(CC#N)c1 77308140 GJGBVFPSOOUDIH-NVXWUHKLSA-N 284.403 3.841 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1cc(C)sc1C 188547287 HIJVDHXNXWJCOA-HNNXBMFYSA-N 282.405 3.637 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC[C@@H](O)C2)cc1C(F)(F)F 78305323 YDNRHKJMVJODFD-ZWNOBZJWSA-N 298.308 3.540 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)ccc1O 188963675 GXHSSPIKPWCABI-CYBMUJFWSA-N 253.729 3.586 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1ccc(Cl)cc1 506055179 BMJBXVWOWRRSTN-NEPJUHHUSA-N 250.773 3.883 30 20 CHED C=C(Cl)CNCc1ccc(OCCCC)cc1 127328025 IJUSVPGWMBSVJG-UHFFFAOYSA-N 253.773 3.708 30 20 CHED C=CCC[C@@H](NC[C@@H](C)CCOC)c1ccco1 414201258 MBXUGCGLEOWMAN-UONOGXRCSA-N 251.370 3.549 30 20 CHED C=C[C@H](CC(=O)N1[C@@H](C)CC[C@@H]1C)c1ccccc1 127297483 DQWUGINXQJQSIP-SOUVJXGZSA-N 257.377 3.746 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2csc(Cl)c2)C1 188038273 SVBULEQGSHRXIX-RNCFNFMXSA-N 282.796 3.604 30 20 CHED COC1(CCSCCOc2ccc(C#N)cc2)CCC1 419344957 JJTDIGHKODVHBY-UHFFFAOYSA-N 291.416 3.629 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 410990011 VLYKQMXIAKVEPW-VHSXEESVSA-N 276.405 3.900 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)Nc2ccccc2)s1 419827248 BHRIPCFQMBWNOC-GFCCVEGCSA-N 299.399 3.686 30 20 CHED Cc1nn(C)cc1CS[C@H](C)c1cccc(C#N)c1 419459164 COVRIPMDUCUDAX-GFCCVEGCSA-N 271.389 3.595 30 20 CHED C=CCC1(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2OC)CCCC1 415891467 GKVRGMZKLLVKKK-SJORKVTESA-N 299.414 3.552 30 20 CHED CC(C)[C@H](CN[C@H]1CCC[C@H](C#N)C1)N1CCCCCC1 185773038 AGIDPVADCXWMJE-BZSNNMDCSA-N 291.483 3.559 30 20 CHED Cc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1 72592391 IWROVEJEKRSBRM-UHFFFAOYSA-N 283.331 3.536 30 20 CHED C#CCCCCC(=O)Nc1cc(C(C)C)c(O)cc1C 180441373 KNXRQOIFHAPRKK-UHFFFAOYSA-N 273.376 3.956 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(OC(F)F)c1 132766894 DLZFHMWVPRYWGL-UHFFFAOYSA-N 284.306 3.718 30 20 CHED CC(C)CSCCCOc1ccc(C#N)cc1F 507832068 XECFZQFAWGUYLT-UHFFFAOYSA-N 267.369 3.855 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(C#N)c1 82349233 OZUNHCUIWMXTJJ-KDOFPFPSSA-N 290.366 3.576 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(O)=Nc1nccn1-c1ccccc1 328749565 QCFWCKJVXQDATE-KGLIPLIRSA-N 298.390 3.681 30 20 CHED N#CC1(CSCCc2ccc([N+](=O)[O-])cc2)CCC1 419590433 WJPKDFGIRIQTLK-UHFFFAOYSA-N 276.361 3.564 30 20 CHED C=C(C)CCN(CCCO)[C@H]1CCCc2ccccc21 509377113 BELNSOGZVAKQKL-SFHVURJKSA-N 273.420 3.715 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/[C@@H]2CCO[C@@H](C(C)(C)C)C2)CCC1=O 328993240 VTZCYFGISPKJEK-RGCMKSIDSA-N 295.423 3.542 30 20 CHED C=C(C)CCN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 509007676 ITNGJIGVYQYEHS-OAHLLOKOSA-N 297.345 3.628 30 20 CHED N#CCCN(CCSc1ccccc1F)CC1CC1 176257114 XBBXEOOJDRYANG-UHFFFAOYSA-N 278.396 3.543 30 20 CHED C[C@H]1CC[C@@H](C(O)=Nc2ccc(C3CCC3)cn2)O1 329358490 BLWGUANSRJNXCX-GWCFXTLKSA-N 260.337 3.505 30 20 CHED CCc1onc(C)c1N/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 328879232 JSZCKVZOSFLBNC-RWMBFGLXSA-N 291.395 3.840 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 192183839 DPPRWINYAKMEQQ-GOSISDBHSA-N 287.378 3.977 30 20 CHED O/C(CCc1ncc[nH]1)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329498719 XXNTVCFNHHNYAJ-BFHYXJOUSA-N 275.396 3.658 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C2CC2)sc2cccc(F)c12 80397293 XFSJMXDBLVMZMD-LLVKDONJSA-N 289.331 3.808 30 20 CHED C=CCOc1cccc(NC(=O)C2CC3(CCC3)C2)c1 518981928 JPVWXWQALINBPK-UHFFFAOYSA-N 271.360 3.770 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1cc(C#N)ccc1F 130077026 FFOXXFDGEQKJJZ-QGZVFWFLSA-N 283.350 3.675 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(O)cc1CC 191076019 WFOSBIBRAWHPLF-UHFFFAOYSA-N 297.354 3.772 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](CC)Cc1ccccc1C 425577390 FMXMWKTZYUIZBH-RDJZCZTQSA-N 286.419 3.714 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cnn(C(C)C)c2)c1 190969116 ITPGTPSMOMOPEV-UHFFFAOYSA-N 299.374 3.671 30 20 CHED Cc1ccc(C)c(C[S@@](=O)CCCC(C)(C)C#N)c1 83080249 FBTHTOQVHYHWKX-LJQANCHMSA-N 277.433 3.882 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@H]2CCC[C@H]2C#N)cc1 331092929 JHRKKAVKQSLYFZ-IRXDYDNUSA-N 284.403 3.551 30 20 CHED CCCc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 192497491 WQSVOLVZAZQVLG-UHFFFAOYSA-N 278.355 3.957 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 333222725 MORZOBGBVNWICV-DOTOQJQBSA-N 295.386 3.519 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)[C@H]2CCCO[C@@H]2C)[nH]1 330042561 CEFVAUNIYLXIII-OLZOCXBDSA-N 299.374 3.788 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CCCCC1 335083188 GWHQYFRWGHHOOR-CYBMUJFWSA-N 270.376 3.658 30 20 CHED Cc1cc(F)cc(/C(O)=N/[C@@](C)(C#N)CC(C)C)c1 330477950 JSVJHSPWTGRFLT-OAHLLOKOSA-N 262.328 3.767 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(C2CC2)cs1 424607332 KUDXYJHMGIMREK-UHFFFAOYSA-N 250.367 3.561 30 20 CHED Cc1sc(NC(=O)c2ccc(Cl)cn2)c(C#N)c1C 336328868 ZKCPHYCLZAWFNW-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C[C@@H](CC(=O)N(C)c1ccccc1C#N)c1ccccc1F 337883416 UBSHIAFVSGWRCH-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED N#Cc1csc(CNc2ccc([C@H]3CCOC3)cc2)c1 339537837 GGDPJDWFXPEQOB-AWEZNQCLSA-N 284.384 3.736 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)c1ccc(C#N)s1 336419222 CXIMERGWAULEQC-SECBINFHSA-N 276.386 3.514 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 293436942 OIEWBLSSYZYFTI-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(CC)s1 90451222 KAXVXRUJIPOGNU-LBPRGKRZSA-N 253.411 3.554 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 431861504 YGIKLNNQTWUZRQ-KCQAQPDRSA-N 268.360 3.632 30 20 CHED C[C@@H](c1ccccn1)N1CC=C(c2ccc(C#N)cc2)CC1 334477917 PVTMYVVNLGXMGC-HNNXBMFYSA-N 289.382 3.804 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)Nc1ccccc1CC#N 339192122 KZSAFUHQCLSQPJ-CQSZACIVSA-N 288.391 3.532 30 20 CHED C[C@@H](CC#N)N(C)C[C@H](C)c1cccc(Cl)c1 249936951 SGQZTTWEFGDZIR-RYUDHWBXSA-N 250.773 3.677 30 20 CHED CC(C)(CCC#N)CNCCc1ccc(OC(F)F)cc1 524680432 WRTQWBIAYRBOEQ-UHFFFAOYSA-N 296.361 3.750 30 20 CHED C[C@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C[C@@H](C)O1 245881530 KXEKYSYFEMPEFI-FSDCSDTHSA-N 272.392 3.577 30 20 CHED COc1cccc(CCCOc2ccc(C#N)c(OC)c2)c1 435794713 NEYQYBJOLUGUAA-UHFFFAOYSA-N 297.354 3.587 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(C#N)ccc1C 342829785 HBFWEDPUIUUPPI-UHFFFAOYSA-N 286.375 3.568 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cccc2ccccc12 538194077 FWCJYZDLSWHUSP-HUUCEWRRSA-N 269.388 3.675 30 20 CHED C=C(CNC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 348151162 HUJWLTCSBCHUHU-UHFFFAOYSA-N 294.354 3.724 30 20 CHED CC1(C)CN(C(=O)c2cc(C#N)cs2)CC(C)(C)C1 341462606 KAPRTSCTXJITCG-UHFFFAOYSA-N 276.405 3.518 30 20 CHED O=C(/C=C\c1cc(Cl)cc(Cl)c1)c1cnccn1 255299652 RTSVPDORJNGKKN-UPHRSURJSA-N 279.126 3.680 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cc(Cl)cc(Cl)c1F 601037121 ONPAXERRCGLZNA-SSDOTTSWSA-N 289.137 3.507 30 20 CHED COc1ccc2c(c1)CCCN(c1ccc(F)cc1C#N)C2 524690486 IMDUVSRWGJCNIP-UHFFFAOYSA-N 296.345 3.659 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1ccc(F)cc1C#N)CCO2 341628773 FUDURILZXSLBRF-INIZCTEOSA-N 298.317 3.642 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1ccc(Cl)cn1 603503432 TWZNTCZFNCHMOI-ZDUSSCGKSA-N 274.776 3.962 30 20 CHED CCC1(CN[C@H]2CCCc3cc(C#N)ccc32)CCOCC1 341709268 RTVCANOYKJCUAQ-SFHVURJKSA-N 298.430 3.732 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2ccc(F)c(F)c2)cn1 254994894 YFLNRSVKSLLFDH-UTCJRWHESA-N 276.286 3.638 30 20 CHED COc1ccc(CS[C@H](C#N)C2CC2)cc1Cl 601080274 BANVTXHWDNVIEX-CYBMUJFWSA-N 267.781 3.884 30 20 CHED CC[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 346143007 GXXBHEJBLOTYMG-SFHVURJKSA-N 292.382 3.758 30 20 CHED CC1=C(C(=O)NCc2cccc(C#N)c2)CCC(C)(C)C1 448665003 OXVZJYGCYDRKPF-UHFFFAOYSA-N 282.387 3.701 30 20 CHED CC[C@H](C)CCC(=O)N(CC#N)c1ccc(F)cc1C 602393628 XRBXYJWBFTVVBC-LBPRGKRZSA-N 276.355 3.817 30 20 CHED COc1ccccc1N=Cc1cc2ccccc2nc1O 255336184 JGLFDFMAXGSCGI-UHFFFAOYSA-N 278.311 3.700 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)cc1 255207403 WQALNVGCFRRXMF-DAXSKMNVSA-N 274.266 3.870 30 20 CHED Cc1ccc(C(C)(C)CNC[C@@H](C)CCC#N)cc1 602534673 IVBCJXWHMSAGET-HNNXBMFYSA-N 258.409 3.802 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cncc(CC)c1 345160761 IOYOXUSPXSVUFD-UHFFFAOYSA-N 286.419 3.853 30 20 CHED C=CC[C@H](C)[C@H](C)NCCc1ccc2[nH]ccc2c1 442806660 CNRWHVYEAZHQSC-KBPBESRZSA-N 256.393 3.901 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@@H](c3cccs3)C2)C1 449624279 NAKHTILZTZOSDW-LXTVHRRPSA-N 290.432 3.640 30 20 CHED C=CC[C@H]1N(C(=O)c2ncccc2CC)CCCC1(C)C 443863384 XIHMQKAZERXWNH-OAHLLOKOSA-N 286.419 3.851 30 20 CHED C[C@@H](CCC#N)CNCC1(c2ccccc2F)CCC1 602700933 XTRZOOFOOBDXAT-AWEZNQCLSA-N 274.383 3.777 30 20 CHED N#CCc1ccc(CN2CCC=C(c3ccco3)C2)cc1 352571226 SAWZQDABLZGIAJ-UHFFFAOYSA-N 278.355 3.635 30 20 CHED Cc1cc(CNC[C@@H](C)Oc2ccccc2C)ccc1C#N 444002418 NYINCPJLUMCZKM-MRXNPFEDSA-N 294.398 3.732 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnn(-c2ccccc2)c1C 352540063 GRLDKMKVNGCTIV-UHFFFAOYSA-N 297.402 3.513 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 611148993 RAHHPHOLCROPLM-DTWKUNHWSA-N 285.174 3.515 30 20 CHED CC1CCC(N(C)Cc2ccc(OCC#N)cc2)CC1 264527425 CBJOFSMADLPEMR-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N(Cc1ccccc1)CC(C)(C)C 448914826 SUCBSMXLLLFYBO-KSSFIOAISA-N 284.403 3.611 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 449202388 FZVWWTOOOASEGB-CAOSSQGBSA-N 263.425 3.669 30 20 CHED C=C1CCN(Cc2ccccc2OCc2ccncc2)CC1 353331109 NDMCUEMLFLGEFV-UHFFFAOYSA-N 294.398 3.813 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CC[C@@H](C)C2)c1 444146666 UXJMGEJIXWXEJI-TZMCWYRMSA-N 274.364 3.562 30 20 CHED C=C(CC)CNc1cccc(NS(=O)(=O)CCC)c1C 539095064 OVAMALZDNONACP-UHFFFAOYSA-N 296.436 3.525 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(C)c1ccccc1C#N 532793465 YXNIUUGRARMJOM-KBPBESRZSA-N 270.376 3.737 30 20 CHED CCO[C@@H](CCN[C@H]1CCc2ccc(C#N)cc21)C(C)C 353257451 QJNCVUWHDHXWSB-ROUUACIJSA-N 286.419 3.586 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1SCCc2sccc21 352544771 CTFYXDFCECWULG-ZDUSSCGKSA-N 295.473 3.797 30 20 CHED Cc1ccc(F)cc1CN(CCC#N)CCC(C)C 352724383 QILLXDPYDIVLMY-UHFFFAOYSA-N 262.372 3.896 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc2sccc2c1 268482572 JTDJPGXXSXEBLQ-ZDUSSCGKSA-N 272.373 3.569 30 20 CHED COc1ccc(COCCSc2ccccc2C#N)cc1 610340142 WOPDULFMQDPIKK-UHFFFAOYSA-N 299.395 3.876 30 20 CHED N#CCc1ccc(C(=O)N2CCC(C3CCCC3)CC2)cc1 366938667 QMGDWGMFEORKGH-UHFFFAOYSA-N 296.414 3.795 30 20 CHED C[C@H](CC#N)NCc1sc2ccccc2c1Cl 612584316 AKOQGOZHGIPZKN-SECBINFHSA-N 264.781 3.946 30 20 CHED C=CCC1(CNC(=O)C2(C(F)(F)F)CCC2)CCCC1 456505609 LPQMURLWVOJTGT-UHFFFAOYSA-N 289.341 3.972 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)[C@@H](C#N)CCc1ccccc1 453005530 UYAFCMHHHBLUOV-KZNAEPCWSA-N 298.430 3.701 30 20 CHED Cc1cc(CSCc2ccccc2C(C)(C)C#N)nn1C 610857573 GFRYSCAILZYWGH-UHFFFAOYSA-N 299.443 3.963 30 20 CHED C=C(CC)CNC(=O)[C@H](C)Cc1ccccc1Cl 456812602 NOSURYGGOZYNFC-GFCCVEGCSA-N 265.784 3.601 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(C)c(C)c1 456943625 DAHJBRDLJLRCDT-KRWDZBQOSA-N 259.393 3.864 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](CC)CNc1ccccc1 452466644 ZYSIWZZTHVKHTI-INIZCTEOSA-N 286.419 3.762 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1Cc2ccccc2C[C@@H]1C 539392224 STCNTSKGWXJEFQ-CABCVRRESA-N 286.419 3.888 30 20 CHED CC(C)(C#N)CCCN1CCc2ccc(F)c(F)c21 451781138 PGUPMTYZBNJNDI-UHFFFAOYSA-N 264.319 3.657 30 20 CHED CC[C@H](CC(F)(F)F)NC(=O)Nc1cccc(CC#N)c1 455910939 UYMRVLJTNDCFKK-LLVKDONJSA-N 299.296 3.605 30 20 CHED C[C@H](NCCCC#N)c1ccc(SCC(F)F)cc1 273167477 BARBZPWENBFOHE-NSHDSACASA-N 284.375 3.998 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCC(C)(C)CC#N 458578041 HPCBNSCAZCNLDY-BBRMVZONSA-N 299.418 3.549 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 363360440 HZUTWBZLBMSVHB-HNNXBMFYSA-N 279.330 3.985 30 20 CHED Cc1ccnc(NCc2ccc([C@H]3C[C@H]3C)o2)c1C#N 541349701 YXTGLSMBWVLUMQ-YPMHNXCESA-N 267.332 3.590 30 20 CHED C[C@H](NCC[C@@H]1CCO[C@H](C)C1)c1ccc(C#N)c(F)c1 273264048 NNMYOWGMNKMBKC-HZSPNIEDSA-N 290.382 3.553 30 20 CHED C=CCSc1ccccc1C(=O)NC1CC(C)(F)C1 452276914 MZLXEJHCWPQSFO-UHFFFAOYSA-N 279.380 3.585 30 20 CHED C=C(CC)CNC(=O)CCC(=O)c1ccc2ccccc2c1 456826439 JAEABUFIYQCAEQ-UHFFFAOYSA-N 295.382 3.885 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1SCC 453377662 YEEMEVUOBURKJP-YUELXQCFSA-N 277.433 3.793 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 456121297 XCQVIMFUTHBRQO-QWRGUYRKSA-N 277.330 3.684 30 20 CHED Cc1cc(OC(=O)C[C@H](C)c2c(C)noc2C)ccc1C#N 278024366 TYGCYGRKQWKPNU-NSHDSACASA-N 298.342 3.571 30 20 CHED N#CC1(COc2ccc([N+](=O)[O-])c3ccccc23)CCC1 450874148 UOQVSOGVPWYBNX-UHFFFAOYSA-N 282.299 3.821 30 20 CHED CCCN(Cc1cc(C#N)n(C)c1)[C@H]1CCc2ccccc21 361492908 NPEKSVDSUNXKMB-IBGZPJMESA-N 293.414 3.796 30 20 CHED Cc1ncsc1CCNc1ccc(CC#N)cc1Cl 453122939 GYFFQPUVKUKIHK-UHFFFAOYSA-N 291.807 3.826 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccnn1[C@@H](C)CC(C)C 360511821 NUDIKXMLPVHCRT-STQMWFEESA-N 278.400 3.576 30 20 CHED C=CCN(C(=O)[C@@H](C)c1cccc(Cl)c1)C1CC1 271606725 ZFYQSEMJOBFGDQ-NSHDSACASA-N 263.768 3.621 30 20 CHED C=CCN(C(=O)NCc1cccc(C(F)(F)F)c1)C1CC1 271484303 SYIWPXIOWASQBK-UHFFFAOYSA-N 298.308 3.565 30 20 CHED C=CCOc1ccccc1CN(C)CCc1ccccc1O 541551795 QGTQBGDTPSXWKL-UHFFFAOYSA-N 297.398 3.632 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(F)(F)C[C@@H]1C 623856178 OOOJTDHJTRKQBE-NEPJUHHUSA-N 274.355 3.560 30 20 CHED CC(C)(C(=O)N[C@H](C#N)C(C)(C)C)c1ccc(Cl)cc1 464716237 ZRGAAVGLCLPMIP-CYBMUJFWSA-N 292.810 3.672 30 20 CHED N#CCC[C@H](C#N)COc1cccc(-c2nccs2)c1 280450891 KWEJWSWLUJZBFN-GFCCVEGCSA-N 283.356 3.632 30 20 CHED C[C@H](NC[C@H]1CCC[C@@H]1C)c1ccc(C#N)c(F)c1 467433261 PDISCOWGYVLYQK-SLEUVZQESA-N 260.356 3.784 30 20 CHED CCN(c1ncc(Cl)c(C)c1C#N)C1CCCC1 553254987 GLPAXTDBCDAFNG-UHFFFAOYSA-N 263.772 3.684 30 20 CHED C[C@@H]1C[C@H]1CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 464443168 AOFLPLGJXJHBIR-YFTKNLTDSA-N 276.424 3.647 30 20 CHED C=CCN(c1ccccc1)[C@@H](c1nccn1C)C1CC1 639089603 BGBGPKHBAKHTBW-MRXNPFEDSA-N 267.376 3.564 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C(C)(C)C)cc1 463247545 IVOVCQPHYYHOBJ-UHFFFAOYSA-N 275.392 3.905 30 20 CHED C=C(C)CCNc1ccc(CNC(=O)OC(C)C)cc1 288626251 ACVCVKFWWZQLIO-UHFFFAOYSA-N 276.380 3.699 30 20 CHED CC(C)[C@H]1OCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 287783006 IRNZCEOFWSFLNY-MWLCHTKSSA-N 299.827 3.531 30 20 CHED CO[C@@H](C1CC1)[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 388337817 IDNUPSCFOCQFQR-LKFCYVNXSA-N 298.308 3.802 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](C)c1ccc(C)cc1C 472761359 DWDAMJVKVQPDEU-HOTGVXAUSA-N 261.409 3.623 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 294362917 GJKWTYXWOYIXRG-CYBMUJFWSA-N 275.392 3.863 30 20 CHED C=C(Cl)CN[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 299198567 FGOCBKFOFDUWNQ-JTQLQIEISA-N 295.745 3.587 30 20 CHED CCC1(NC(=O)c2c(F)cc(C#N)cc2F)CCCCC1 389902264 RIEBXXXWYNANEI-UHFFFAOYSA-N 292.329 3.679 30 20 CHED C=CCOCCCN[C@H](C)[C@@H](OC)c1ccccc1Cl 470774370 SLOBYHAWICROIG-CZUORRHYSA-N 297.826 3.598 30 20 CHED CC[C@@H](CC(=O)OCCCSCC#N)c1ccccc1 805444331 UGJXEOPZTYRHMQ-AWEZNQCLSA-N 291.416 3.760 30 20 CHED C=CCC[C@H](C)NCCc1cn(C)c2cc(F)ccc12 471601891 LYIZCSOTQKQRCY-ZDUSSCGKSA-N 274.383 3.804 30 20 CHED N#CCCCCCC(=O)OCCc1ccccc1Cl 805695796 IWMDHNIQCRWONX-UHFFFAOYSA-N 279.767 3.900 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(OC(F)F)cc1 562385025 PRZQZVUJOINVON-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C#C[C@H](N[C@H]1CC[C@@H]1C)c1ccc(Cl)cc1F 809699556 SZBWZHVTHPFBBX-HERUPUMHSA-N 251.732 3.542 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C/c2ccsc2)cc1 803374813 STPPSMAOYSUHNP-VMPITWQZSA-N 299.395 3.643 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1cc(C#N)ncn1)CC2 569887580 QRNARHUHTAOPIT-MRXNPFEDSA-N 278.359 3.571 30 20 CHED CC#CCSc1nnc2c3ccccc3n(CCC)c2n1 568455908 HPHDQFJJTWQMSI-UHFFFAOYSA-N 296.399 3.505 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OCC)cc1C 293465584 WCHCBOJHFMXMRG-UHFFFAOYSA-N 261.365 3.935 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(C#N)c(F)c1 560470126 OAYKPIWKKAQJEQ-GXTWGEPZSA-N 288.366 3.530 30 20 CHED C#C[C@H](NC(=O)[C@H](C)c1cccc(Cl)c1)C(C)(C)C 807881950 SPZMQYFGCWXHPV-RISCZKNCSA-N 277.795 3.608 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 293915181 APPUUTDTACXFBE-UHFFFAOYSA-N 296.754 3.580 30 20 CHED C#Cc1ccc(CN2CCS[C@@H](c3ccccc3)C2)cc1 809577770 CJYOWWLGGPKTOM-LJQANCHMSA-N 293.435 3.958 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC[C@@H]2CCCF)cc1 800804340 XDNPTLJLEFEHDJ-LLVKDONJSA-N 279.315 3.913 30 20 CHED C[C@H](C#N)OCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 801932089 GQGRUYQEWVJFNQ-KDOFPFPSSA-N 297.402 3.624 30 20 CHED C(=NN[C@H]1CCSC1)c1ccc(Oc2ccccc2)o1 808000871 VMORNQKXZJRTHL-LBPRGKRZSA-N 288.372 3.501 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)c1nc2ccccc2o1 802753110 WTXKEAWIUJQWES-QWRGUYRKSA-N 276.361 3.551 30 20 CHED C=CCCCCCCCCNC(=O)c1cc(C)no1 805278166 UMRLNIUDSNHJPJ-UHFFFAOYSA-N 264.369 3.630 30 20 CHED C#C[C@H](N[C@@H](CCc1ccccc1)C(F)F)C(C)C 809685668 JOOMKWGSGUFPMK-GJZGRUSLSA-N 265.347 3.500 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H](C)c2ccc(C)o2)cc1 809257958 MHFSLMRMIPFXRB-CJNGLKHVSA-N 296.370 3.635 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2cccc(O)c2)n1 560024652 KSTBXUCPHDDCRD-HJWRWDBZSA-N 270.332 3.799 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(CC)c1CC 489497800 HYPDCUAFCDHVBW-CYBMUJFWSA-N 275.392 3.731 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2nc(CC)sc2c1 646516774 JZJGLDRQZLZRSQ-UHFFFAOYSA-N 289.404 3.899 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 811461935 RRFIGVOUTQYPON-LLVKDONJSA-N 277.795 3.731 30 20 CHED N#CCCCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 813061158 SUEVJURQRQJCLM-ZDUSSCGKSA-N 295.367 3.680 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc(C)cc2F)no1 810305299 KFFFBUVOSGGUEM-UHFFFAOYSA-N 292.313 3.756 30 20 CHED Cc1cc(CN2Cc3ccccc3OC[C@H]2C)ccc1C#N 488249839 OKQGVBMYWSSSIJ-OAHLLOKOSA-N 292.382 3.650 30 20 CHED C=CCC(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2 489943857 VINBJKSIYCSPQI-UHFFFAOYSA-N 275.436 3.921 30 20 CHED CN(Cc1cccc(Cl)c1Cl)c1cc(C#N)ccn1 572745786 MVJWGIMUFSCCEI-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC12CCCC2 811666715 IQBCSRUOKGNLQV-AWEZNQCLSA-N 272.392 3.754 30 20 CHED C#CCN(CCC1(OC)CCC1)[C@H]1CCc2ccccc21 815023452 VMQGCMOZRJISMN-SFHVURJKSA-N 283.415 3.568 30 20 CHED O=[N+]([O-])c1c(Cl)cc(Cl)cc1C=NOCC(F)F 811647355 IIJODKCFSLJZRB-UHFFFAOYSA-N 299.060 3.517 30 20 CHED C=CCN(C)c1ncnc2scc(-c3ccccc3)c12 489914392 DCDKFCKSRTWQDV-UHFFFAOYSA-N 281.384 3.981 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1csc(C)n1 812370867 VJWJCRSFUWAVCO-UHFFFAOYSA-N 265.769 3.941 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C(F)F)nc2)n1 656023432 BEFQNMOWEFLACF-UHFFFAOYSA-N 279.290 3.923 30 20 CHED COc1ccc(F)cc1/C=C1\Cc2cc(F)ccc2C1=O 812243630 QGBQJMQIBVWZLP-KPKJPENVSA-N 286.277 3.796 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1cc(C)ccc1O 727973131 RQHTZQMEWHJXPG-UHFFFAOYSA-N 299.330 3.753 30 20 CHED Cc1nc(SCc2c(F)cccc2F)ccc1C#N 488019978 ZYRZOXBAGPLFRP-UHFFFAOYSA-N 276.311 3.832 30 20 CHED N#CCOc1cccc(/C=C2/CCc3ccccc3C2=O)c1 727744748 JOTYKEXYMIEKQQ-VBKFSLOCSA-N 289.334 3.801 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] 571967008 HRJIPVCSBKSHEG-OUCADQQQSA-N 285.347 3.847 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@H](C)c1ccccc1 488832403 UOYIVHSKOKOIGO-HOCLYGCPSA-N 257.377 3.747 30 20 CHED CC#CCCNC(=O)N1CCCC[C@H]1c1cccc(C)c1C 483420460 NBUIHFLYFSWZCI-SFHVURJKSA-N 298.430 3.953 30 20 CHED Cc1ccc(C[C@H]2CCCN2c2ccc(C#N)c(C)n2)cc1 488057419 NBNVABLLCMNDLC-GOSISDBHSA-N 291.398 3.782 30 20 CHED CC[C@@H](C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 728617239 ZWMFDXOSDJSBNR-QGZVFWFLSA-N 297.329 3.934 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C)c(C(C)=O)c1 654216653 CNMIXPJKXZJIRH-ZDUSSCGKSA-N 274.364 3.674 30 20 CHED Cc1ncccc1C=NNc1cccc(C(F)(F)F)c1 728778519 SOVIMNRVISXQRH-UHFFFAOYSA-N 279.265 3.855 30 20 CHED CCCCCCCCC(=O)NC[C@@H](O)C1CCCCC1 727858689 BDYXEMCUTIBSRW-MRXNPFEDSA-N 283.456 3.794 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(-c2ccccc2)no1 490068940 UYGMTZRUPTWDDL-UHFFFAOYSA-N 284.359 3.674 30 20 CHED C#C[C@H](NC(=O)N1CCCCC[C@H]1c1ccco1)C(C)C 821567258 JHBOHAFNEYCOQZ-GJZGRUSLSA-N 288.391 3.564 30 20 CHED N#Cc1cc(N[C@H](c2ccccc2F)C2CCCC2)ncn1 577258008 CMGBJMZNKBAHTK-KRWDZBQOSA-N 296.349 3.831 30 20 CHED C=CCCC(=O)OCc1ccc(F)cc1Br 726652411 PHBQDKQHUSDLCQ-UHFFFAOYSA-N 287.128 3.598 30 20 CHED C=CCCCSc1cccc(Cl)c1-c1nn[nH]n1 823899225 QSKIHRCJNBWXGU-UHFFFAOYSA-N 280.784 3.578 30 20 CHED CCCCCCCC(=O)Nc1ccc(-n2ccnn2)cc1 726925234 QITLHGGKYXSZHM-UHFFFAOYSA-N 286.379 3.566 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC(C)=C(C)C1 582993571 WDLPYVSACPFCRX-UHFFFAOYSA-N 286.423 3.668 30 20 CHED CCCC[C@@H]1CCCC1=NNc1nc(C)cc(C)n1 727252190 SSRVYHPBLWRGIC-CYBMUJFWSA-N 260.385 3.852 30 20 CHED C[C@H](CNC(=O)CCCCCC#N)c1ccc(F)cc1 588153965 DPQNCFFANYBWOB-CYBMUJFWSA-N 276.355 3.519 30 20 CHED C#CCOc1ccc(NC(=O)N(CC)[C@H](C)C(C)C)cc1 731114489 BZLSODFRKVYJFX-CQSZACIVSA-N 288.391 3.597 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C 904181457 OQTIPOWYNOOHTR-DYVFJYSZSA-N 272.392 3.543 30 20 CHED C#CCC1(C(=O)Nc2cc(O)c(F)cc2F)CCCCC1 909985670 OHFUZTOPZHHJPI-UHFFFAOYSA-N 293.313 3.583 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@]23CCC[C@@H]2C3)c1 665956480 RJTVBHGOFOBUMX-DYVFJYSZSA-N 286.375 3.706 30 20 CHED CCCCN(C)c1ccc(NC(=O)C#CC(C)C)cc1 826760274 HLIZIOGWRHZXSB-UHFFFAOYSA-N 272.392 3.521 30 20 CHED C=CCN(C(=O)[C@@H](CC)Cc1ccccc1)C(C)C 732730689 XWWQFIPQNLGGCL-INIZCTEOSA-N 259.393 3.678 30 20 CHED C=CC[C@H](C)NC(=S)Nc1cccc(Cl)c1C 734985151 BHMPTIUUMBNFPV-VIFPVBQESA-N 268.813 3.899 30 20 CHED C=CCCCOC(=O)C1(c2cc(C)cc(C)c2)CC1 735531127 XKHWCDWYHYRXSZ-UHFFFAOYSA-N 258.361 3.844 30 20 CHED O=C(/C=C\c1ccccc1OC(F)(F)F)c1cncs1 735793228 UURZZEFNVUUFQO-WAYWQWQTSA-N 299.273 3.938 30 20 CHED FCCC[C@H]1CCCC1=NNc1ncc(F)cc1F 835022670 PJZMZAURMBUFKL-SECBINFHSA-N 271.286 3.678 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CC)c1ccc(Cl)cc1 736398243 WCDWBSJRJPKEHM-GFCCVEGCSA-N 287.190 3.843 30 20 CHED C#CCCN[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 830259092 WHIPKUAUHICUER-ZDUSSCGKSA-N 284.256 3.523 30 20 CHED CN(C(=O)CCCCCC#N)C1CCCCCC1 588835279 PGMQKQZEWAZEDL-UHFFFAOYSA-N 250.386 3.642 30 20 CHED CC(=O)c1ccc(F)c(OCCCC(C)(C)C#N)c1 902858732 ROSRBEMGABUMBI-UHFFFAOYSA-N 263.312 3.737 30 20 CHED CC(=NNc1ccc(C)cc1Cl)c1cnc(C)nc1C 835012715 ZFQIODZLGYEEDK-UHFFFAOYSA-N 288.782 3.891 30 20 CHED C[C@@H](NN=Cc1csc(Cl)c1Cl)C(F)(F)F 834997532 DGWBBOCCYZMUJA-SCSAIBSYSA-N 291.125 3.929 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCCSC1 588232488 IVLXKZASZBLQAC-YOEHRIQHSA-N 286.444 3.668 30 20 CHED CC#CCN(C)C(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 583462458 KBXWZAOOSVBTIF-BJLQDIEVSA-N 295.426 3.517 30 20 CHED Cc1coc(-c2cc(NC(=O)C#CC(C)(C)C)ccc2C)n1 837476943 ZCCPTQLIWPEVSL-UHFFFAOYSA-N 296.370 3.946 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccccc1SCC 839287897 VEHHEBLQOULPCH-UHFFFAOYSA-N 272.316 3.915 30 20 CHED CC(=NNc1ncnc2sccc12)c1sccc1C 733744147 AQPXQIQFNSSJPC-UHFFFAOYSA-N 288.401 3.897 30 20 CHED CC(C)c1ccc(C2(C(=O)OCC#N)CCCC2)cc1 731092485 APVIFFKMQSISAF-UHFFFAOYSA-N 271.360 3.689 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCSc2ccccc2)C1 839058680 TVJXEOAJRZPJOS-ZIAGYGMSSA-N 289.400 3.794 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2cccc(Cl)c2F)o1 588555932 FBFZRQZYUPOGFU-UHFFFAOYSA-N 298.657 3.531 30 20 CHED CCOc1ccc([C@H]2CCCN2C(=O)C#CC(C)(C)C)cc1 837321492 WFYHMZZLVPXAIM-QGZVFWFLSA-N 299.414 3.798 30 20 CHED CCc1ccc([C@@H](C)C(=O)NCC(C)(C)CCC#N)cc1 588177531 WYRHKWFPZIUYAM-CQSZACIVSA-N 286.419 3.799 30 20 CHED C=CCCCCCN(C)C[C@@H](O)c1ccc(F)c(F)c1 739931149 QUWYZPDCOSVZSK-MRXNPFEDSA-N 283.362 3.676 30 20 CHED C[C@H](N[C@@H](C1CCC1)C1CC1)c1ccc(C#N)c(F)c1 834912728 UFNGEFAIHUMDFH-GTNSWQLSSA-N 272.367 3.927 30 20 CHED C=CCN(C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)C(C)C 915153415 KTZPSXATXMWLNK-UKRRQHHQSA-N 275.392 3.759 30 20 CHED N#CC[C@H]1CCCN(CCSc2ccc(F)cc2F)C1 595618353 XLWJJSCGPOAUAD-GFCCVEGCSA-N 296.386 3.683 30 20 CHED CC1(C)CC[C@@H]1NCc1cc(C#N)ccc1Br 594004175 WSVRRMUCCRLYHS-ZDUSSCGKSA-N 293.208 3.599 30 20 CHED CCCCCCCCC(=O)N(C)CCc1ccncc1 748727165 BQNHTOHKNOWDEL-UHFFFAOYSA-N 276.424 3.833 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)/C=C(\C)C1CC1 839891980 SNELUSCKXLHSBG-ABDJAZHISA-N 269.388 3.646 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(c2cccc(OC)c2)CC1 671790241 ZRRCACLLFPWIHF-CQSZACIVSA-N 287.403 3.588 30 20 CHED C=CCCCC(=O)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 748667289 KUHMLWHLDVHRJZ-JTQLQIEISA-N 276.307 3.777 30 20 CHED N#Cc1ccc(/C=C2/CCc3sccc3C2=O)s1 748997908 LHPANNYPSXXETN-CLFYSBASSA-N 271.366 3.894 30 20 CHED C1=CC[C@H](C=NNCc2cccc3cccnc23)CC1 915959279 LDGIYFRMHBOZCO-AWEZNQCLSA-N 265.360 3.667 30 20 CHED COCC[C@@H](Cc1ccco1)Nc1ccc(C#N)cc1C 846754604 UHTYNLXMJAGIKW-HNNXBMFYSA-N 284.359 3.519 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)ccc1Cl 598445967 VOUSRWPRHHGGHZ-VGPLMAKISA-N 288.778 3.615 30 20 CHED COCCc1ccc(-c2ccc(OCCC#N)cc2)cc1 592983953 JMXHBSGKTGIDGI-UHFFFAOYSA-N 281.355 3.835 30 20 CHED CC(=O)Nc1ccc(C=NNc2cc(C)cc(C)c2)cc1 916346436 AWOPDJWYDVVSKF-UHFFFAOYSA-N 281.359 3.708 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C\c1ccccc1O 749931144 QUFFMVQGIUIJCA-OLTZHPAZSA-N 263.406 3.875 30 20 CHED C=CCC[C@@H](O)CN1CCc2ccccc2[C@H]1C(C)C 675643404 INVTUAOUYCUXQI-SJLPKXTDSA-N 273.420 3.569 30 20 CHED C=C(Br)CN1CCCC[C@H]1[C@@H](C)CC 740423358 HSEDCUHSVHYIRS-JQWIXIFHSA-N 260.219 3.796 30 20 CHED COc1cccc(NC(=S)NN=C2CCC[C@H](C)C2)c1 916298558 OQKCYFVVNQITHC-NSHDSACASA-N 291.420 3.548 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cc(C)on1 917869415 RSOMVQLNYVRLJG-GFCCVEGCSA-N 266.385 3.709 30 20 CHED CCCON=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 842551769 DAFGRVFFVUAZRW-LLVKDONJSA-N 264.325 3.576 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](CC#N)C2)o1 597173608 KXHIBCOPOLCXSH-NFAWXSAZSA-N 258.365 3.529 30 20 CHED N#Cc1nc(N2CC[C@H](c3ccccc3)C2)sc1Cl 596114343 AJPZKCUKZBVLDP-NSHDSACASA-N 289.791 3.662 30 20 CHED C#Cc1cccc(NC(=S)N(C)CCC(C)(C)C)c1 843282080 WGVIZKNCEMSXJF-UHFFFAOYSA-N 274.433 3.733 30 20 CHED COc1cccc(/C=N\C[C@@H](C)c2cccc(C)c2)c1O 741165942 UBKKVYPXEUGLPN-VCRXTVNUSA-N 283.371 3.932 30 20 CHED C[C@H](SCC1(C#N)CCCC1)C(=O)OC(C)(C)C 917626413 XHKCBNDICWLPKX-NSHDSACASA-N 269.410 3.534 30 20 CHED CC1(C)CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 743023999 XGEBVEPDDRHHSK-UHFFFAOYSA-N 293.823 3.640 30 20 CHED C=C[C@@H](C)ON=C(C)c1ccc(NC(=O)NC(C)C)cc1 844622806 BFZNYBKVXKOUJX-GFCCVEGCSA-N 289.379 3.532 30 20 CHED CN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccc(C#N)nc1 593275375 GFPKSGWWZWZBFY-XOKHGSTOSA-N 297.402 3.523 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1ccc(F)cc1 918154431 NAVSJUAMIHHWKI-YRNVUSSQSA-N 272.250 3.624 30 20 CHED Cc1cccc([C@@H](C)NC(=O)C#Cc2ccccc2)c1C 747397290 JTRXKQMLVLTVCA-MRXNPFEDSA-N 277.367 3.532 30 20 CHED Cc1ccc(NN=Cc2ccc(N(C)CCC#N)cc2)cc1 916250421 DNBXXKNLXZYQJX-UHFFFAOYSA-N 292.386 3.791 30 20 CHED Cc1ccc(C)c(CC(=O)OCc2ccc(C#N)cc2C)c1 748922005 BBVNHVAOUPWBIG-UHFFFAOYSA-N 293.366 3.769 30 20 CHED CC[C@@H]1C[C@H]1CN[C@@H]1CCCc2cc(C#N)ccc21 590779392 JPZNAUCVTGNEDT-UKPHBRMFSA-N 254.377 3.571 30 20 CHED CC(C)c1csc([S@](=O)CCCC(C)(C)C#N)n1 593000415 FPXSGLQWNICDFF-GOSISDBHSA-N 284.450 3.704 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCC=C(Cl)Cl 849315988 OEIQMUAMSHHSPU-VIFPVBQESA-N 271.147 3.708 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(C)cc2)no1 683069200 KVSLMDWYWUJJSC-UHFFFAOYSA-N 265.316 3.700 30 20 CHED CC(C)(C)OC(=O)c1ccccc1OCC1(CC#N)CC1 596268200 HQRYONIPMVFRCK-UHFFFAOYSA-N 287.359 3.715 30 20 CHED N#CCC[C@@H](NCc1cnn(C2CCC2)c1)c1ccccc1 921925485 PZNBREWHEGSBPF-GOSISDBHSA-N 294.402 3.743 30 20 CHED C#CCN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(C)C 928625548 UIXBIVPRZBXZFQ-GFCCVEGCSA-N 297.320 3.836 30 20 CHED C#CCCCOC(=O)/C(C)=C/c1ccccc1Cl 756520391 PEQSJCOGRMCVGY-VAWYXSNFSA-N 262.736 3.700 30 20 CHED C=C[C@H](C)NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 757006848 OHGBXEKDJCEJCS-UQSGXBNBSA-N 283.293 3.799 30 20 CHED CC(C[C@H]1CCOC1)=NNc1cccc(C(F)(F)F)c1 751516999 OHNBUAJQASXYBE-LLVKDONJSA-N 286.297 3.920 30 20 CHED Cc1cc(C(=O)/C=C\c2csc(Br)c2)no1 752874032 CFILZKBOLZUDMU-IHWYPQMZSA-N 298.161 3.703 30 20 CHED C=CCN(C(=S)NC12CC3CC(CC(C3)C1)C2)C(C)C 750999941 BBZKCKHAXUUVCM-UHFFFAOYSA-N 292.492 3.726 30 20 CHED CC#CCCNC(=O)c1cc2c(Cl)cccc2s1 680457064 JUHJZQVIPLZDTF-UHFFFAOYSA-N 277.776 3.698 30 20 CHED COCCC1(C=NNc2ncc(Cl)cn2)CCCCC1 857220389 FYIZWWHUOLLXHX-UHFFFAOYSA-N 296.802 3.515 30 20 CHED CC(C)C(=NNc1ncccc1C(F)(F)F)C1CC1 750937164 GXUQGCBJSXQYBD-UHFFFAOYSA-N 271.286 3.934 30 20 CHED C=CCC1(C(=O)O[C@@H](C)CC(C)(C)C#N)CCCC1 851206160 OZQSZBMNZYANTM-ZDUSSCGKSA-N 263.381 3.994 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@](C)(O)c1ccsc1 850436260 IOBVXCJSMTYNTP-VNQPRFMTSA-N 279.449 3.680 30 20 CHED COC(=O)c1ccc(CSCC2(CC#N)CC2)c(F)c1 853769407 VFDZWPDASAXIKN-UHFFFAOYSA-N 293.363 3.539 30 20 CHED C[C@@H]1CCC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)[C@@H]1C 920943103 NMLWONCHPJZJMC-JFNAFIFTSA-N 276.336 3.544 30 20 CHED CCC(=NNC1CC1)c1cc(Cl)cc(Cl)c1O 758126247 CSMISBVWVILSOQ-UHFFFAOYSA-N 273.163 3.565 30 20 CHED CCOc1ccc(C=NNc2ccc(OC)cc2)cc1 750925122 QCFUOMDAXPFKTA-UHFFFAOYSA-N 270.332 3.540 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1ccc(OC)cn1 853335904 JZIPZKKSHMFQPD-GFCCVEGCSA-N 259.353 3.624 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(C(F)(F)F)nc1Cl 856777727 BMXIYAMQZNZZJX-QMMMGPOBSA-N 278.705 3.981 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2ccc(CC#N)cc2)s1 758655917 VXKIOBLHKDPEBX-GFCCVEGCSA-N 284.384 3.614 30 20 CHED COc1ccc2c(c1)CC(=NOCc1ccccc1)CC2 752722770 DUCUAESPTKTICC-UHFFFAOYSA-N 281.355 3.757 30 20 CHED C=CCC1(NC(=O)Cc2cccnc2Cl)CCCCC1 868742147 SVOYEXJXABQRJH-UHFFFAOYSA-N 292.810 3.673 30 20 CHED Cc1cc(C)c(C=NNCc2ccc(C(F)(F)F)cc2)[nH]1 760243803 PBXHOCZPVNWWKA-UHFFFAOYSA-N 295.308 3.774 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OCCC)c(C)c1 861631234 XALSAAFYRIBKBO-UHFFFAOYSA-N 288.391 3.990 30 20 CHED C#CCCCCC(=O)Nc1n[nH]c(C)c1-c1ccccc1F 863940630 LDXSZSQVWBFNHQ-UHFFFAOYSA-N 299.349 3.656 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1ccncn1 760334885 SAFJVBJDFULMSU-HOTGVXAUSA-N 299.418 3.895 30 20 CHED C#C[C@H](OC(=O)CCc1scnc1C)c1ccc(C)cc1 860963636 ZPJHNOVUXBEWNC-HNNXBMFYSA-N 299.395 3.610 30 20 CHED CCCCOc1ccccc1C=NO[C@@H]1CCCCO1 767386174 BVAPWEOMQLGMCB-MRXNPFEDSA-N 277.364 3.743 30 20 CHED C=C1CCN(C(=O)Nc2c(C)cc(OC)c(C)c2C)CC1 931415968 NBPMJGOIYILPLS-UHFFFAOYSA-N 288.391 3.804 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)O[C@H](C#N)C(C)(C)C 860646341 FXWPCWHLJWCLGB-UKRRQHHQSA-N 273.376 3.655 30 20 CHED CC(CCCC(C)C)=NNC(=S)Nc1cccnc1 764667014 XSNFRWYTLJOXQA-UHFFFAOYSA-N 278.425 3.570 30 20 CHED CSc1ccc(/C=C\C(=O)OCCCCC#N)s1 860289916 LBGYJWXZVXSRAQ-ALCCZGGFSA-N 281.402 3.720 30 20 CHED CC#CC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 764472387 KBNYJNXSOALAOR-AWEZNQCLSA-N 279.339 3.679 30 20 CHED C=CCN(C(=O)NCCC1CC(OC(C)(C)C)C1)C(C)C 764508534 OJRSAWPDJYIDLG-UHFFFAOYSA-N 296.455 3.576 30 20 CHED CCN(CCC1CC1)Cc1ccc(N(C)CCC#N)cc1 761225401 GSHMPJLIBCEZCT-UHFFFAOYSA-N 285.435 3.658 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(C)c(Cl)c1Cl 1116403126 DYYIIVMQRJWZAG-QMMMGPOBSA-N 273.163 3.998 30 20 CHED C#CCCCNc1ccccc1Oc1ncccc1C#N 766725559 OXVZQDVGRFLVQO-UHFFFAOYSA-N 277.327 3.571 30 20 CHED Cc1ccc(C#N)c(NCc2cccc(C(F)F)c2)n1 1116687167 UCXCOLGQQIKDIY-UHFFFAOYSA-N 273.286 3.811 30 20 CHED C=CCCCC(=O)NC[C@@H](OC)c1ccccc1Cl 763840647 UKUCTXQIVWMRKM-CQSZACIVSA-N 281.783 3.500 30 20 CHED CON=Cc1sc(Nc2ccccc2)nc1Cl 767477444 CELONJXZWZDPTL-UHFFFAOYSA-N 267.741 3.520 30 20 CHED N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)C2CC2)cs1 1117763137 XZLSEVVVJNYLNA-INIZCTEOSA-N 296.395 3.543 30 20 CHED CC[C@H]1CCCCN1CC[C@@](C#N)(C(C)=O)c1ccccc1 877934065 AMLSUHQNQBPRPR-RBUKOAKNSA-N 298.430 3.692 30 20 CHED C=C(CC)COC(=O)c1cc(C2CC2)nc2onc(C)c12 773483104 MWBGHIKNASLXOI-UHFFFAOYSA-N 286.331 3.532 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1ccc(-n2cccn2)cc1 878901526 DFZROSJYBBWSAG-YHYXMXQVSA-N 292.313 3.908 30 20 CHED Cc1ccc(NN=Cc2ccc(-n3cccn3)cc2)cc1 873836307 ZJXGTBLTRQLWED-UHFFFAOYSA-N 276.343 3.627 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](CCC)[C@H](O)c1ccccc1 879827623 ZNSPWADHKLSONY-DOTOQJQBSA-N 289.419 3.607 30 20 CHED CC(C)(C)c1nc(COc2ccc(C#N)cc2F)co1 877878917 HVSOJWMHXMMSOC-UHFFFAOYSA-N 274.295 3.562 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ccc(C(=O)O)cc1 773180662 PSABMQQXMBTTTO-IUODEOHRSA-N 272.348 3.775 30 20 CHED Cc1ccc(OCCCC(C)(C)C#N)c(Cl)n1 777541828 SPMGTSMPPXENFR-UHFFFAOYSA-N 252.745 3.752 30 20 CHED C[C@H](COC(=O)c1cccc(F)c1C#N)c1ccccc1 778373272 LSHOFPICOQNFOV-GFCCVEGCSA-N 283.302 3.658 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)c(F)c1 772805123 FJGGABLFMIWCOS-QPJJXVBHSA-N 299.276 3.741 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1)c1ccncc1 776188666 YYOIHHBXKSQKKF-HSFFGMMNSA-N 253.276 3.673 30 20 CHED Cc1nc(Cl)ccc1C(=O)O[C@@H](C#N)C1CCCCC1 776397393 XORKXFJUGTXSBW-ZDUSSCGKSA-N 292.766 3.673 30 20 CHED C=CCN(C(=O)Nc1cc(F)c(F)c(F)c1F)C(C)C 880683030 AMFSJOYARYGMLB-UHFFFAOYSA-N 290.260 3.671 30 20 CHED COCCCC(C)=NN[C@H](Cc1ccccc1)C(C)C 777448065 LAVSEOBGLMBEPF-QGZVFWFLSA-N 276.424 3.646 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](c1ccccn1)C1CC1 1123713763 GXYHSLXDPGJFTB-NVXWUHKLSA-N 299.418 3.673 30 20 CHED CCCCCC1=CCCC1=NOC1CCOCC1 774453244 PLYPHFOFNUTDGM-UHFFFAOYSA-N 251.370 3.839 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2cc(C)sc2C)c1 774117059 VJZUGMVJSINCFB-PLNGDYQASA-N 290.340 3.641 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccnc(Cl)c1 779459571 CCXIUNLFFKJAIX-VOTSOKGWSA-N 273.719 3.640 30 20 CHED Cc1cc2ccccc2nc1NN=C1C[C@@H](C)N(C2CC2)C1 776783432 AXFKALNEJORNAS-CYBMUJFWSA-N 294.402 3.568 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N(CC1CC1)C1CCC1 1122458697 YSGUSWLPGLSIPH-UHFFFAOYSA-N 296.365 3.561 30 20 CHED Cc1cccc(Cl)c1COC(=O)c1cc(C#N)cs1 1129248378 DNABYYIFTHSKBL-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CC1(C)C(=NOCC(F)(F)F)C[C@@H]1Oc1ccccc1 789038900 VKZFDEJSXMHLTM-LBPRGKRZSA-N 287.281 3.799 30 20 CHED C=CCC1(NCc2cn(CC)nc2C)CCCCC1 894743019 JTGNXKIAFBQSAY-UHFFFAOYSA-N 261.413 3.580 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1cccc(Cl)c1 785085334 ANJSPDCSNVZCQK-SNVBAGLBSA-N 265.740 3.884 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1C[C@]12CCc1ccccc12 783954877 YYEYYSFPJAEMEC-APWZRJJASA-N 297.398 3.764 30 20 CHED C=C[C@H](Cc1nc(C2(SC)CC2)no1)c1ccccc1 896784057 RVBDHCAHZHNVQJ-GFCCVEGCSA-N 286.400 3.934 30 20 CHED C[C@@H](CC(=O)N(CC#N)c1ccccn1)C1CCCCC1 892464401 IVWPJKHOJXVVJO-AWEZNQCLSA-N 285.391 3.545 30 20 CHED C#CCCCCN[C@@H]1CC[C@](C)(c2ccccc2)C1 783253038 FPLDAQJTLBRHHY-MSOLQXFVSA-N 255.405 3.890 30 20 CHED COc1ccc(NN=C(C)CCc2ccccc2)nc1 780274429 BCBMCISNJJCRCT-UHFFFAOYSA-N 269.348 3.511 30 20 CHED FC(F)Sc1ccc(C=NOCC(F)(F)F)cc1 781596424 FUYSKWUSKLFHAE-UHFFFAOYSA-N 285.237 3.914 30 20 CHED Cc1ccc2c(c1)OCCCC2=NNc1ccnc(F)c1 781126906 GTRLGRMWZGYOLY-UHFFFAOYSA-N 285.322 3.518 30 20 CHED C=C1CCC(C(=O)Nc2scc(C)c2C#N)CC1 890896435 MRIVEJUBOPHLDB-UHFFFAOYSA-N 260.362 3.613 30 20 CHED C#CCC1(c2nc([C@H]3CC3(Cl)Cl)no2)CCCCC1 896810408 NNARFLNIPVKKJE-SNVBAGLBSA-N 299.201 3.956 30 20 CHED COc1cc(C=NN[C@H]2CCCC2(C)C)ccc1SC 782299544 HWRPOYZOSVQSMA-HNNXBMFYSA-N 292.448 3.919 30 20 CHED COc1cc(F)ccc1NN=Cc1scnc1C1CC1 782285081 NSQYMVSJRYUNSA-UHFFFAOYSA-N 291.351 3.614 30 20 CHED Cc1ccc([C@H]2CCCC2=NOC[C@@H]2CCOC2)cc1 788030582 OXCBCJXPOBJIRK-GDBMZVCRSA-N 273.376 3.672 30 20 CHED C=CCCCCCC(C)=NNc1ccc(C(=O)O)cn1 789035221 YVWIUYIETXUOHG-UHFFFAOYSA-N 275.352 3.704 30 20 CHED CC(C)(C)CC(=NNc1nc(-c2ccncc2)no1)C1CC1 787154179 HENMEKIZGRXMRX-UHFFFAOYSA-N 299.378 3.746 30 20 CHED CN(Cc1cccc(Oc2ccccn2)c1)CC(C)(C)C#N 894610703 OPHCXLSBHUDACU-UHFFFAOYSA-N 295.386 3.855 30 20 CHED CC(C)c1cccc(NC(=S)NCC2(CC#N)CC2)c1 797408978 RINLLFZTYQIVKI-UHFFFAOYSA-N 287.432 3.790 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cc(C)cc(C)c1 796659815 SHCFYSBAEDCQKU-UHFFFAOYSA-N 292.382 3.971 30 20 CHED CC(C)O[C@H](C=NOCC(F)(F)F)c1ccccc1 793028021 VXPIAUGHFZBADA-GFCCVEGCSA-N 275.270 3.717 30 20 CHED Fc1ccc(/C=C/C=NOC2CCCC2)cc1F 794921508 INQLYXYIVPWARH-MRAATPTDSA-N 251.276 3.923 30 20 CHED CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1131134963 SEAPOZMDPUPVOA-UHFFFAOYSA-N 299.761 3.530 30 20 CHED N#Cc1cccc(NC(=O)CCSc2ccccc2)c1 15644351 BRRKHRJVGQJJRW-UHFFFAOYSA-N 282.368 3.679 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C1=C(CC)OCCC1 790285594 IWQQDNTTZRMJMF-UHFFFAOYSA-N 285.387 3.676 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc(OC)c(Cl)c1 798375204 FQRDBDINLQBICA-SNVBAGLBSA-N 298.839 3.990 30 20 CHED CC(C)[C@H]1CCCC(=NNC(=S)Nc2cccnc2)C1 794466708 CURXTXJXRQPLAU-LBPRGKRZSA-N 290.436 3.570 30 20 CHED Cc1oc(C(C)C)nc1C(=O)O[C@@H](C)c1cccc(C#N)c1 796962804 PHMBMNYLKHRVGR-NSHDSACASA-N 298.342 3.896 30 20 CHED Cc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1OC(C)C 799724435 MHZCQYTZVGYANK-HIFRSBDPSA-N 258.365 3.886 30 20 CHED N#CC1(COC(=O)C2CC(c3ccc(F)cc3)C2)CCC1 797091597 VSXFFAYZEHMQPJ-UHFFFAOYSA-N 287.334 3.556 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 793542583 ROOIGCMMRFOGLX-YESZJQIVSA-N 294.483 3.748 30 20 CHED C=C(CNC(=O)N1CC[C@@H]1C(C)(C)C)c1ccccc1 1229643432 NITKNBFKZAYZDI-OAHLLOKOSA-N 272.392 3.530 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(C)[C@@H](C)CCC 1301012800 IAVPLBXZEPEEHO-LBPRGKRZSA-N 284.835 3.779 30 20 CHED N#Cc1nccc(Oc2ccc(Cl)c(C(F)(F)F)c2)n1 1306912661 NUXYIOJXBHOVMD-UHFFFAOYSA-N 299.639 3.813 30 20 CHED COc1cccc(SCCc2ccc(C#N)cc2)c1 1165504864 RUPDSGSQPNBIMM-UHFFFAOYSA-N 269.369 3.902 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C1CCCCCC1 135159109 KZNIPBBNPWPYCO-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CCOc1ccc(CN(C)c2ccc(C#N)cc2)cc1 505738626 VSUQQYYPIHPQSZ-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)CC(F)(F)F 396932444 VFGGVYRRRHEWFB-QWRGUYRKSA-N 270.298 3.797 30 20 CHED Cc1cccc2sc(C(=O)O[C@@H](C)C#N)c(Cl)c12 1322160179 YQZWBWQWTRYNRO-QMMMGPOBSA-N 279.748 3.932 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)cc1C 187528654 NWIZVANMADXEGK-UHFFFAOYSA-N 272.392 3.848 30 20 CHED C=CCC1(NCc2ccc(OCC#N)cc2)CCCC1 690706526 RLDGCGXUNJIEHX-UHFFFAOYSA-N 270.376 3.567 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)CCC#N)CCC2)cc1 1325009306 ZJAIAVWFMNRCBS-UHFFFAOYSA-N 284.403 3.604 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)/C(=C\c1ccnn1C(C)C)C2=O 1321542425 LUUSIZIFZHPZGD-IGVUGNCQSA-N 296.370 3.861 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 1357650445 DPEUXPWSAVANBM-LMLFDSFASA-N 295.791 3.740 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cccc(CC(C)C)c1 1321857441 NPVYYTVMGLPBNB-PBHICJAKSA-N 261.409 3.737 30 20 CHED N#Cc1cc(F)ccc1CN1C2CCCC1CCC2 743852341 XEQZIFOSZWJJHU-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C=CCCSCCN[C@H](C)c1cccc(C#N)c1 594710967 KQMGFFSQFXACBT-CYBMUJFWSA-N 260.406 3.518 30 20 CHED CC[C@@H](C)C[C@@H](CC)NCCc1ccc(C#N)cc1 1258779230 BBQYDRBBEKMZID-RHSMWYFYSA-N 258.409 3.905 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H]1c1ccccn1 572347227 WZRIBGCNDVFIPQ-INIZCTEOSA-N 271.408 3.939 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1Nc1nc(C)ccc1C(=O)O 692213147 FLLDPRDSPRZLRK-OCCSQVGLSA-N 274.364 3.635 30 20 CHED C=CCCCNc1cc(Br)ccc1OC 70592058 BEFNTDLGSKWYNC-UHFFFAOYSA-N 270.170 3.836 30 20 CHED C=CC[C@H](NC1CCC(C2CCCCC2)CC1)C(=O)O 1331932094 MSLCXPMSNDJOFT-GPANFISMSA-N 279.424 3.744 30 20 CHED CCCCc1cc(Nc2cccc(CC#N)c2)ncn1 1186470382 MMJPRMAZVGMILM-UHFFFAOYSA-N 266.348 3.629 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(C)cc1OCCOC 1334885139 XWMSNXYFDGAKBL-CQSZACIVSA-N 291.391 3.561 30 20 CHED C=C1CCC(C(=O)Nc2cn(-c3ccccc3)nc2C)CC1 1334100482 XVBYSUBXHGSESS-UHFFFAOYSA-N 295.386 3.866 30 20 CHED CCCN(c1nc(C(F)(F)F)ccc1C#N)C(C)C 94334924 WDMMTKOTLFMNLO-UHFFFAOYSA-N 271.286 3.597 30 20 CHED C=C[C@@H]1CCCCN1Cc1c(F)c(F)c(F)c(F)c1F 785996173 BQCBKVULXQSJJW-MRVPVSSYSA-N 291.263 3.923 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] 785999596 WRNWNEBNCWLMGW-CYBMUJFWSA-N 280.755 3.789 30 20 CHED N#Cc1cc(Br)ccc1NC1CCCC1 96731028 MGSNPWMRYPZISY-UHFFFAOYSA-N 265.154 3.675 30 20 CHED C[C@H](OC(=O)c1ccsc1C(F)F)C(C)(C)C#N 1342937548 XOGUNCOJMNHFQK-ZETCQYMHSA-N 273.304 3.781 30 20 CHED N#Cc1ccc(Cl)c(-c2nnc([C@H]3CCCCO3)o2)c1 1261577621 DOCHULDEHIFSEN-GFCCVEGCSA-N 289.722 3.503 30 20 CHED C=C1CCC(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC1 1350573205 JAGXXKQCGRTWBW-GDBMZVCRSA-N 261.409 3.772 30 20 CHED C=CC[C@H]1CCCN(c2nnc([C@H](C)SC)n2CC)C1 1356427141 BMBCXZPUSIAOQP-STQMWFEESA-N 294.468 3.515 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCCC(=O)C(C)(C)C 1514858044 BTHNIESCUJAEAZ-AWEZNQCLSA-N 279.424 3.729 30 20 CHED C=C(Cl)CNC(=O)c1ccccc1OC1CCCCC1 1293719975 GWBKPKJZXGCABK-UHFFFAOYSA-N 293.794 3.880 30 20 CHED N#Cc1cc2c(nc1OCC1CCCC1)CCCCC2 1459231060 NCCNMHYQQOIOSB-UHFFFAOYSA-N 270.376 3.791 30 20 CHED N#Cc1cc(C(=O)Nc2c(F)cccc2Cl)cs1 1538366347 QGZDLFAUDVQHRU-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCN(C(=O)CC1CCC(C(C)(C)C)CC1)[C@H](C)C#N 1530026203 KHFNDKDSQLQJFC-WLYUNCDWSA-N 278.440 3.990 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2cc(C#N)c(F)cc2F)C1 1535867181 CKSCVWSYPFRIIH-NXEZZACHSA-N 278.302 3.601 30 20 CHED CCC1(C(=O)Nc2cc(C#N)c(F)cc2F)CCCC1 1544823694 YRALKXHZRDUWAB-UHFFFAOYSA-N 278.302 3.745 30 20 CHED COc1cc(CNC[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1C#N 1474131865 WZGACDIQQRNQLM-ZQIUZPCESA-N 286.419 3.729 30 20 CHED Cc1[nH]nc(NCc2ccc(-c3ccccc3)s2)c1C#N 1474171958 SKEMKVBLFGEVLI-UHFFFAOYSA-N 294.383 3.930 30 20 CHED Cc1nc(N(C)CCC2CCCCC2)ccc1C#N 1472685485 JSUPKPVGDIRIPJ-UHFFFAOYSA-N 257.381 3.668 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(F)cc(C#N)c1 1624287745 QJOHCAVJMYYYQU-YPMHNXCESA-N 274.339 3.852 30 20 CHED C[C@H](c1cccc(O)c1)N(C)c1ccc(Cl)c(C#N)n1 1559125985 RDLMWXBHHORGPO-SNVBAGLBSA-N 287.750 3.510 30 20 CHED CS[C@H]1CCC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 1620913768 VECSZSGNNBEMFG-KGLIPLIRSA-N 294.851 3.975 30 20 CHED N#Cc1ccc(C(=O)Nc2c(Cl)ccc3cnccc23)o1 1624380147 FCSYFNSUBQRDIW-UHFFFAOYSA-N 297.701 3.605 30 20 CHED C[C@@H](CC#N)N(C)c1nc2c(F)cc(Cl)cc2s1 1639566806 QSIHPDSZXJQBRU-ZETCQYMHSA-N 283.759 3.827 30 20 CHED N#Cc1cc(NCc2cnc[nH]2)ccc1Oc1ccccc1 1560498709 UGOXEIPLORINGU-UHFFFAOYSA-N 290.326 3.686 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@H](Oc2ccc(F)cc2)C1 1648240950 UOJYIICNOIOJGI-ROUUACIJSA-N 296.345 3.544 30 20 CHED CCC[C@@H](NCCc1ccc(C#N)cc1)C(C)(C)C 1658685669 NZMFBIXKKDZNQQ-MRXNPFEDSA-N 258.409 3.905 30 20 CHED CC[C@@H](C)Oc1cc(Sc2ccc(C#N)cc2)nc(C)n1 1655010622 CPRXJCSJJAHSNV-LLVKDONJSA-N 299.399 3.985 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1cc(F)cc(C#N)c1 1674218185 BXPNYZDZFPNALD-BDJLRTHQSA-N 289.354 3.788 30 20 CHED C=C(Cl)C[C@H](NCc1ccc([C@@H](C)CC)cc1)C(=O)O 1776142800 LWQZKLLHLUOELS-NHYWBVRUSA-N 295.810 3.886 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@@H](CC)CCCC)C1 1776154545 JZUBKCPQOPOFEF-DOTOQJQBSA-N 281.440 3.946 30 20 CHED O=C(O)c1ccc2[nH]cc(/C=C/C(=O)c3ccccc3)c2c1 1776114728 YYMYLPKSWSFWJX-VQHVLOKHSA-N 291.306 3.762 30 20 CHED Cc1ccc(C=NO[C@H](C)c2ccccc2)cc1C(=O)O 1776082931 CBRQZJGUPKFGED-CYBMUJFWSA-N 283.327 3.805 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@H](CC)CCCC)C1 1776154548 JZUBKCPQOPOFEF-WBVHZDCISA-N 281.440 3.946 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C(CC=C)CC=C 150878938 AVNYWAAQGSYYKG-UHFFFAOYSA-N 287.334 3.545 30 20 CHED Cc1nccn1CCCCSc1cccc(C#N)c1 158026845 RTVXCARLPYLFLS-UHFFFAOYSA-N 271.389 3.636 30 20 CHED CC[C@H](C)NC(=O)[C@@H](Sc1cccc(C#N)c1)C(C)C 158661811 JUOSQJUKQJOVLL-WFASDCNBSA-N 290.432 3.590 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccc(C)cc1F 151988017 BHPCRSLBDXUTND-LLVKDONJSA-N 267.369 3.770 30 20 CHED CCCCCCC(=O)N(CC)c1ccc(C#N)cc1 152013003 TXJGQUZFNFIQLU-UHFFFAOYSA-N 258.365 3.882 30 20 CHED Cc1ccc(C)c(NC(=O)N(CCC#N)Cc2ccco2)c1 156039833 FREHDJHRYWVDOG-UHFFFAOYSA-N 297.358 3.844 30 20 CHED CC(C)(C)c1ccccc1C(=O)[C@@H](C#N)c1ccccn1 155960332 NTLYADOAEXKSNJ-AWEZNQCLSA-N 278.355 3.869 30 20 CHED CS[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 154267952 ZFQPFDVDSZDDKR-QMMMGPOBSA-N 282.434 3.607 30 20 CHED CC[C@H](C#N)OC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 156561612 HIDRGTSEODWDNT-ARFHVFGLSA-N 295.423 3.987 30 20 CHED C#CCCCCNC(=O)[C@@H](C)Sc1ccccc1Cl 156620980 XHQJRQWWVBKROA-GFCCVEGCSA-N 295.835 3.740 30 20 CHED Cn1cc(C(=O)/C=C\c2cccc(Cl)c2Cl)cn1 209234024 HRKMAHBCUJBVGN-WAYWQWQTSA-N 281.142 3.623 30 20 CHED CC(C)CCN(C)c1c(Br)cccc1C#N 1655004709 WQFJDORHBHDCHH-UHFFFAOYSA-N 281.197 3.803 30 20 CHED N#Cc1ccc(OCCCOc2ccccc2)cc1F 113650044 LGGXXXVJBHFNCD-UHFFFAOYSA-N 271.291 3.545 30 20 CHED C[C@H](CC(=O)Nc1cccc(C#N)c1)c1ccccc1 5456172 QSQVSROMKQSQSI-CYBMUJFWSA-N 264.328 3.691 30 20 CHED CC(C)(C)OCCOc1ccc(C#N)c2ccccc12 232497180 XKVVXAFFKOIRRL-UHFFFAOYSA-N 269.344 3.905 30 20 CHED N#Cc1cc(NCCc2nccs2)ccc1C(F)(F)F 130956679 IUFMUDWHSUTGFR-UHFFFAOYSA-N 297.305 3.688 30 20 CHED CCCC[C@@H](CC)CNC(=O)Nc1cccc(C#N)c1 48473497 QIGFOFYVHOOPLB-CYBMUJFWSA-N 273.380 3.896 30 20 CHED C[C@@H](CCNc1ncccc1C#N)c1ccccc1 60394042 YYNHQRKNTRNVGT-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED CCCCC1CCC(C(=O)NC2(C#N)CCC2)CC1 60324333 QPCLESJOWJQYKK-UHFFFAOYSA-N 262.397 3.545 30 20 CHED COc1ccc(CNc2ccc(C#N)cc2Cl)cc1 62790755 UQNCRTRIMQBTFA-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1ccc([C@H](O)COc2ccc(C#N)c(Cl)c2)cc1 190164073 AFQFPSRSZOZGDA-MRXNPFEDSA-N 287.746 3.633 30 20 CHED Cc1ccc([C@H](O)COc2cc(Cl)cc(C#N)c2)cc1 402436695 LYSDZWTVUDVWLR-MRXNPFEDSA-N 287.746 3.633 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)ccc1F 311174115 SPBFDOPAIHWYRE-UHFFFAOYSA-N 269.747 3.811 30 20 CHED CCc1ccnc(CNc2cc(Cl)ccc2C#N)c1 435604849 FXBWOHCBNBUNQU-UHFFFAOYSA-N 271.751 3.781 30 20 CHED C=C(C)CCNC(=O)c1scc(C)c1Br 452715095 CDJHOZRJKPLKOY-UHFFFAOYSA-N 288.210 3.515 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=S)N[C@@H](C)CC 794994823 IESHOJZSNJZHDV-AWEZNQCLSA-N 276.449 3.738 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1 7741442 CTWDWWHURMVTSD-FPYGCLRLSA-N 286.302 3.739 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1O 7743203 NKDZCBUFHUBEIN-FNORWQNLSA-N 288.730 3.950 30 20 CHED CCCOc1ccc(C/N=C\c2cccc(OC)c2O)cc1 103011918 AWJWSRHDWWGFQS-UYRXBGFRSA-N 299.370 3.809 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccc(C)c2O)cc1 174933406 MELIALGECZPWCC-UHFFFAOYSA-N 283.327 3.518 30 20 CHED CCC(CC)(CC)CNC(=O)c1cccc(CC#N)c1 177064531 UTTCSACUOSBPIL-UHFFFAOYSA-N 272.392 3.699 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccc2)c(F)c1 25359708 DTXDONQVOGZRMN-GOSISDBHSA-N 294.373 3.904 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCC(C)(C)C)C1 116813271 YMHKOBZVAWYDGZ-CZUORRHYSA-N 264.413 3.791 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](C)c1ccccc1F 102603019 IWOONTGNTCLVRI-CYBMUJFWSA-N 263.356 3.744 30 20 CHED C[C@H]1C[C@@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 105437546 JLEUIOVZNBFDRE-LIRRHRJNSA-N 292.382 3.635 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccc2cccnc12 109812176 UDCHJLDRULXJPG-UHFFFAOYSA-N 281.403 3.997 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CC)c1ccc(C)cc1 172079992 RBZYCXURZWMURQ-ZFWWWQNUSA-N 260.381 3.710 30 20 CHED C=CCn1c(C)cc(C(=O)CSc2ccccn2)c1C 57471124 ABZGNGQIMPMEOR-UHFFFAOYSA-N 286.400 3.661 30 20 CHED CCNc1nnc(S[C@@H](C#N)C2CCCCC2)s1 115186560 UPYDLJBGYTXWKJ-JTQLQIEISA-N 282.438 3.534 30 20 CHED CCCC(=O)Nc1cccc(CNc2ccc(C#N)cc2)c1 301082090 HXIFOWBOXIOTHQ-UHFFFAOYSA-N 293.370 3.909 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 111704487 SUAMPKQCNFPGNH-UHFFFAOYSA-N 282.746 3.909 30 20 CHED C=CCCCC(=O)NCC1(c2ccccc2Cl)CC1 179722105 ZXCZNRNVRSNJMA-UHFFFAOYSA-N 277.795 3.844 30 20 CHED CN(c1nc(C(F)(F)F)ccc1C#N)C(C1CC1)C1CC1 115516395 CSYNXHNNKSWWHU-UHFFFAOYSA-N 295.308 3.597 30 20 CHED Cc1ccc(N/C(N)=N/Cc2cc(C)c(O)c(C)c2)cc1C 303887760 ONNSGRKWTFPJQT-UHFFFAOYSA-N 297.402 3.553 30 20 CHED C#CCCOc1ccc(Br)c(Cl)c1 307448895 ZRLMMPWHRPAZEW-UHFFFAOYSA-N 259.530 3.505 30 20 CHED C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1cccc(C#N)c1 187609436 OCEXBAODMCZDJJ-CHWSQXEVSA-N 280.375 3.899 30 20 CHED C#C[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)C(C)C 311276182 HIYJPFZVISBAOX-CYBMUJFWSA-N 273.273 3.592 30 20 CHED CC(C)c1ccc(CN(C)Cc2ccc(C#N)o2)cc1 179604278 ZGYRTSLNVXSFOV-UHFFFAOYSA-N 268.360 3.907 30 20 CHED CC[C@H](C)[C@@H](C(=O)N1CCC(C#N)CC1)c1ccccc1 71297967 OSZQDAXRSPPHCQ-WMLDXEAASA-N 284.403 3.578 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)CCc1ccccc1 181386791 UEXKGJJWJJQMJG-HNNXBMFYSA-N 274.408 3.615 30 20 CHED C=C(Br)COC(=O)c1cccc(Cl)c1F 178218714 JEHXTCBVJZFCHI-UHFFFAOYSA-N 293.519 3.545 30 20 CHED Cc1cc(C)cc(CN(CCC#N)Cc2ccccn2)c1 178381666 DSWPSBPCQRRHMF-UHFFFAOYSA-N 279.387 3.614 30 20 CHED CO[C@H](CNc1ccc(C#N)cc1F)c1ccc(F)cc1 301439728 UWIJCPREWQLBHL-MRXNPFEDSA-N 288.297 3.636 30 20 CHED Cc1ccccc1C1(C(=O)Nc2cccc(C#N)c2C)CC1 178625472 SBEOHZKLQQSJLX-UHFFFAOYSA-N 290.366 3.845 30 20 CHED CC(C)C[C@H](CNc1cccc(Cl)c1C#N)N(C)C 603845740 KMFYJKUNLWXEMO-GFCCVEGCSA-N 279.815 3.600 30 20 CHED Cc1ccc(CSc2ccc(C#N)cn2)cc1C 301663813 YVPJLQUGXMBXCK-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C[C@@H](C#N)CNc1ccnc2cc(Br)ccc12 302032896 DAAREGFBQMAFFQ-VIFPVBQESA-N 290.164 3.569 30 20 CHED N#Cc1ccc(N2CCc3c([nH]c4ccccc34)C2)cc1 129986368 YBUSRSIUFBTSAH-UHFFFAOYSA-N 273.339 3.602 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cc(C#N)cs1 127595481 ANDPUYRTNRNBQH-CZUORRHYSA-N 282.412 3.998 30 20 CHED CN(CCC#N)c1ccc(CN(C)c2ccccc2)cc1 180413193 JWKCPJMDEWZMEZ-UHFFFAOYSA-N 279.387 3.673 30 20 CHED C=CCCCC(=O)Nc1ccc(OC)cc1Br 480874382 LCZTWRFCXUDUFI-UHFFFAOYSA-N 298.180 3.753 30 20 CHED C=CCSCCNC(=O)C[C@H](C)c1ccc(CC)cc1 508900683 SUQHOYNGLKXPLP-AWEZNQCLSA-N 291.460 3.778 30 20 CHED Cc1ccccc1NC(=O)c1cccc(SCC#N)c1 79380202 FESFJEHLPYMCFY-UHFFFAOYSA-N 282.368 3.863 30 20 CHED CCc1ccccc1CSc1cc(C#N)ccn1 188188046 XOCFDLDBNGJKRW-UHFFFAOYSA-N 254.358 3.808 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 128391713 ONEQPVGOFYNMEA-ZZXKWVIFSA-N 288.690 3.539 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SCC1CCC1 488752687 OWBZYYSUCADKHQ-UHFFFAOYSA-N 272.295 3.864 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(OC)c(Cl)c1 412794372 JOESFSMNRDIWII-UHFFFAOYSA-N 295.810 3.909 30 20 CHED C[C@H](C#N)N(C)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 410885345 WEWGKBUUFVTKOX-GFCCVEGCSA-N 292.810 3.669 30 20 CHED C=CCOc1cccc(CNC[C@H](C)CC(F)(F)F)c1 414532350 UULGQYZEYNCVRI-GFCCVEGCSA-N 287.325 3.930 30 20 CHED COc1ccc2c(c1)C[C@@H](Nc1cccc(C#N)c1)CC2 129433262 CXTOQUNNBIJEGJ-KRWDZBQOSA-N 278.355 3.536 30 20 CHED C=CCCC(=O)N1CCC[C@]1(C)Cc1ccccc1 184003369 KVRGEWGQRSKCNS-QGZVFWFLSA-N 257.377 3.576 30 20 CHED Cc1ccccc1SCC(=O)c1ccc(C#N)cc1 37666167 BUQJRJPMERSIAC-UHFFFAOYSA-N 267.353 3.842 30 20 CHED C=CC[C@H](C(=O)Nc1cc(CC)nc(C)n1)c1ccccc1 188270851 OZEILGBBBPSWQQ-INIZCTEOSA-N 295.386 3.646 30 20 CHED C=C(C)CN(CC)C(=O)NCC1(CCOC)CCCCC1 186293222 UGMSSJRZDAXZIS-UHFFFAOYSA-N 296.455 3.581 30 20 CHED C=CCN(C)CCN(CC)Cc1ccc(C(F)F)cc1 411643105 OKNATPHWAJVPAH-UHFFFAOYSA-N 282.378 3.564 30 20 CHED Cc1cc(CNC2CCC(F)(F)CC2)ccc1C#N 336426308 FXOCOYSYASOJMB-UHFFFAOYSA-N 264.319 3.534 30 20 CHED Cc1ccccc1C[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 185805746 HUXWFPWADLHSML-VYDXJSESSA-N 256.393 3.598 30 20 CHED COc1cccc(CS[C@@H](C)c2ccc(C#N)cc2)n1 180389931 CHYRCXJDSUAVSU-LBPRGKRZSA-N 284.384 3.956 30 20 CHED CC(C)(C)Nc1ccccc1NC(=O)c1ccc(C#N)o1 505784686 QVHNPTWYMAOGCY-UHFFFAOYSA-N 283.331 3.614 30 20 CHED C[C@H](NC[C@@H]1Cc2ccccc21)c1ccc(OCC#N)cc1 315669297 ZUENXRHSDFTOEM-YOEHRIQHSA-N 292.382 3.579 30 20 CHED C[C@@H]1CCCC[C@H]1OCCNc1c(F)cc(C#N)cc1F 500519987 CEUXFLNWIGSIAF-IAQYHMDHSA-N 294.345 3.844 30 20 CHED C#CCOc1ccc(C(=O)N(C)[C@H](C)c2ccccc2)cc1 131270246 YFEJBDJHYOPONI-OAHLLOKOSA-N 293.366 3.532 30 20 CHED C[C@H](Cc1ccccc1F)Nc1ccc(OCC#N)cc1 134091142 MKHCRCZFVMYFEI-CYBMUJFWSA-N 284.334 3.771 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@@](C)(CC)C1 508938012 FTZNHYLHQZLXJN-MRXNPFEDSA-N 276.428 3.604 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419615987 RPLOWWZYWWRMEZ-KRWDZBQOSA-N 297.402 3.543 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1cccc(F)c1F 182722797 FUSLQSUOHKCXAN-BQYQJAHWSA-N 260.239 3.567 30 20 CHED C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NCCCCC#N 184095969 OYUNPMUULOTQQH-WMLDXEAASA-N 299.418 3.693 30 20 CHED C[C@@H](NCCCOc1ccc(C#N)cc1)c1ccccc1 181369042 MWFUIGVTJMTZHA-OAHLLOKOSA-N 280.371 3.678 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C(/O)[C@@H]1C[C@H](C)CC(O)=N1 328929511 YOYPRSQAQYQBEM-QNWHQSFQSA-N 298.452 3.762 30 20 CHED C/N=C(/O)C1(/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)CC1 329267054 DBFBWARTRRTZRS-STQMWFEESA-N 278.396 3.526 30 20 CHED CC(C)COCCCNc1ccc(Cl)cc1C#N 221701906 LLNYUQGQLKCHQZ-UHFFFAOYSA-N 266.772 3.686 30 20 CHED C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CC=C 508855090 GAXBJRNJYGSBJU-INIZCTEOSA-N 296.418 3.628 30 20 CHED O/C(=N/[C@@H]1CCCc2c[nH]nc21)c1csc(Cl)c1 329870503 ACSOYQAAJFNSPV-SECBINFHSA-N 281.768 3.507 30 20 CHED CC1(C)CN(CC(O)=Nc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 328866119 NSLLIKWLMCXSCP-JKSUJKDBSA-N 297.402 3.657 30 20 CHED O/C(CCc1nccs1)=N/[C@H]1CCCc2occc21 328958314 JRTAHOUJFIXKSB-NSHDSACASA-N 276.361 3.703 30 20 CHED C[C@H](C(=O)NC1CC(C(C)(C)C)C1)c1cccc(C#N)c1 504907079 CTRCIPDHEINOQF-JQRITLKVSA-N 284.403 3.603 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc(OC(F)F)c2)C1 193077145 ADILVVSXHSOYAW-MNOVXSKESA-N 266.291 3.782 30 20 CHED C#C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)C(C)C 381666561 JTCKTTXSNHIEOY-CYBMUJFWSA-N 273.273 3.592 30 20 CHED CC#CCCNC(=O)Nc1cc(Cl)cc(Cl)c1 226699407 OYJZFJNPMGVCHI-UHFFFAOYSA-N 271.147 3.528 30 20 CHED Cc1nc(NC[C@H](C)C#N)c2c(CC(C)C)csc2n1 80757468 VHHQTAXVTSPGFT-SNVBAGLBSA-N 288.420 3.770 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 130277734 WFBLXBFAHZGCAB-CYBMUJFWSA-N 264.328 3.609 30 20 CHED CC(C)N(CCC#N)C(=O)Cc1cccc2ccccc12 42530495 YNBUTYAIBKYUAZ-UHFFFAOYSA-N 280.371 3.533 30 20 CHED CCC1CC(=O)C(=CNc2cccc(SC)c2)C(=O)C1 194956230 YPKCBXPBZSEQHV-UHFFFAOYSA-N 289.400 3.663 30 20 CHED CC(C)N(CCC#N)Cc1ccc(Br)cc1F 44414977 BYDONMJJEXSKKY-UHFFFAOYSA-N 299.187 3.712 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@H](C(O)=Nc3ccccc3)C2)C1 328708130 AYWDGAILDWRLQY-HLLBOEOZSA-N 297.402 3.679 30 20 CHED C=CCC1(C(=O)Nc2cnn(C3CCCC3)c2C)CCC1 192695503 LTYJUTZRGUTHGU-UHFFFAOYSA-N 287.407 3.992 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 425128292 KAYUKRISNNUMIU-CPUCHLNUSA-N 284.403 3.904 30 20 CHED Cc1cc(NC(=O)Nc2cccc(C#N)c2)c(C)c(C)c1O 191014329 ZFJDMDLGXOKCPW-UHFFFAOYSA-N 295.342 3.833 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCC[C@H]1CC(C)C 510206771 FIYLLEUMJFVDMF-INIZCTEOSA-N 284.403 3.908 30 20 CHED Cc1nc(C2(/N=C(/O)[C@H]3C[C@@H]3C3CC3)CCCCC2)no1 330359573 WESPPNIQTOWGNK-OLZOCXBDSA-N 289.379 3.540 30 20 CHED C=CCN1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 428920918 AQFOGMRTUBGLQM-SMDDNHRTSA-N 285.309 3.653 30 20 CHED C[C@H]1CCC[C@@H](N(C)CCCC2(C#N)CCOCC2)C1 337135255 MDEYLCFHFZRFMO-JKSUJKDBSA-N 278.440 3.597 30 20 CHED CCSCC[C@H](C)/N=C(/O)Nc1c(C)cc(C)nc1C 331340253 SBDRSPYCPJCPQD-NSHDSACASA-N 295.452 3.864 30 20 CHED CCOc1cc(C#N)ccc1OC/C(Cl)=C/Cl 92025871 POJSYMUUHCBXTE-POHAHGRESA-N 272.131 3.655 30 20 CHED CC(C)Sc1ccccc1C(=O)N[C@@H]1CC[C@H](C#N)C1 424980262 UONGWBWSZRVKTK-QWHCGFSZSA-N 288.416 3.609 30 20 CHED COc1cc(CN(C)CCCCC(C)(C)C#N)ccc1O 336845381 NSDITMVOPPIOLV-UHFFFAOYSA-N 290.407 3.553 30 20 CHED C#CCCOc1cc(F)c(Cl)cc1Br 236145412 DPYUGXLZFKPDLH-UHFFFAOYSA-N 277.520 3.644 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1occc1C(C)C 334443296 MCLZDGDNGQBOKR-UHFFFAOYSA-N 268.316 3.835 30 20 CHED COc1cc(C)cc(/C(O)=N/[C@]2(C)CC=CCC2)c1O 331360713 YDIVHPJCGDTSFN-MRXNPFEDSA-N 275.348 3.513 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(F)cccc1Cl 335419756 WZXWOPFKHCTLCV-UHFFFAOYSA-N 256.708 3.519 30 20 CHED CN(CCCC(C)(C)C#N)CCc1cccs1 93097825 NZOSRIDJCYXSFJ-UHFFFAOYSA-N 250.411 3.552 30 20 CHED Cc1ccccc1Cc1noc(-c2ccc(C#N)cc2)n1 230958264 NMYVEJDMNHJSBZ-UHFFFAOYSA-N 275.311 3.508 30 20 CHED CCCC[C@@H](NC(=O)NCC(C)(C)CCC#N)C1CCC1 513113556 PEBPXJOCAJSXPT-OAHLLOKOSA-N 293.455 3.974 30 20 CHED Cc1ccc(CNc2nc(Cl)c(C#N)s2)s1 235900141 ZMFAWWCYUDAROZ-UHFFFAOYSA-N 269.782 3.650 30 20 CHED COc1cccc2c1CC[C@@H]2N/C(O)=N/CCC(C)(C)C 330951920 DZFVVDBOVHHZRT-AWEZNQCLSA-N 290.407 3.622 30 20 CHED COc1ccc(C(=O)/C=C/c2cccs2)c(F)c1 98068763 HUPQOPVESNTKEG-FNORWQNLSA-N 262.305 3.792 30 20 CHED C=CCC[C@H](NCCC(C)(C)C(=O)OC)c1ccccc1 338573483 VEWBJFMUGRTEDD-INIZCTEOSA-N 289.419 3.873 30 20 CHED COc1ccc(C#N)cc1NC[C@@H](C)c1ccc(F)cc1 437803691 SYEGNOMDNOVJLU-GFCCVEGCSA-N 284.334 3.922 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1coc2ccccc12 435740662 FTZBHWRYSXIXCY-GUYCJALGSA-N 271.360 3.504 30 20 CHED Cc1ccc(F)c(CN(C)c2c(C#N)cccc2C#N)c1 436434422 OGNIUHCSPJRAJM-UHFFFAOYSA-N 279.318 3.514 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@H]1Cc1ccccc1 436303976 DEFAVRAQUGIIPZ-YRPNKDGESA-N 299.458 3.969 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 246009555 YDBKVRWVHHRURY-TUKIKUTGSA-N 293.357 3.929 30 20 CHED Cc1cc(OCc2ncc(C(C)(C)C)o2)ccc1C#N 434645133 JDZFXNUUWZMUJV-UHFFFAOYSA-N 270.332 3.731 30 20 CHED CCN(Cc1ccc(N(C)CCC#N)cc1)[C@H](C)C(C)C 245558695 KYTBHLDSRBIYHQ-MRXNPFEDSA-N 287.451 3.903 30 20 CHED Cc1cc(CN(C)c2ccc(C#N)cc2[N+](=O)[O-])ccc1F 436437522 YOQRZAUDCFIISO-UHFFFAOYSA-N 299.305 3.550 30 20 CHED C=CCCCOc1cccc2c1C(=O)CC(C)(C)O2 439207172 FZMJWTCFWFHCEZ-UHFFFAOYSA-N 260.333 3.775 30 20 CHED C=CCCC(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 522569038 BWRJZGINRCWRBE-JTQLQIEISA-N 264.394 3.563 30 20 CHED C=C(CC)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 342231353 OAZYLWIBRBSGIH-DOTOQJQBSA-N 259.393 3.710 30 20 CHED N#Cc1ccc(F)cc1CSCc1cccnc1 341999325 FXDHASORVFXLBI-UHFFFAOYSA-N 258.321 3.526 30 20 CHED CC(C)[C@@H](COCc1ccccc1)NCC1(CC#N)CC1 430737523 IKYZPWAGZLNESW-QGZVFWFLSA-N 286.419 3.511 30 20 CHED Cc1nc(C[S@@](=O)CCCCC(C)(C)C#N)c(C)s1 436116638 WCRSWPGYUZHDKK-IBGZPJMESA-N 298.477 3.729 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC2CCC1CC2 342859982 MVSNMVXVPQGJBQ-PESDSKBTSA-N 297.402 3.755 30 20 CHED Cc1cc(F)cc2c(N(C)CC(C)(C)C#N)c(C#N)cnc12 432137074 RZASQFLBZUKONM-UHFFFAOYSA-N 296.349 3.540 30 20 CHED CC1(C)C[C@H](NCc2ccc(C#N)cc2Cl)C(C)(C)O1 439430996 OHVSZHZQQIZDOW-AWEZNQCLSA-N 292.810 3.647 30 20 CHED N#CCCCn1cc(-c2nc(C3CC3)no2)c2ccccc21 345893352 XIVWRXAVMUEHIM-UHFFFAOYSA-N 292.342 3.872 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1 604880258 LCNSEJANIUGEDT-CQSZACIVSA-N 273.420 3.998 30 20 CHED CN1CCCC[C@@H]1CCSc1ccccc1C#N 340694989 GUQBMPBRUWLTSN-CQSZACIVSA-N 260.406 3.525 30 20 CHED CCSc1ccc([C@@H](C)NCC2(C#N)CC2)cc1 343567058 VIXYEHUYNFHERB-GFCCVEGCSA-N 260.406 3.753 30 20 CHED Cc1c(C(=O)NCCCC#N)oc2c1ccc1ccccc12 342648557 JZROPOPQQLPGCN-UHFFFAOYSA-N 292.338 3.928 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cc3c(cc2Cl)CCC3)C1 528001143 LNINJIDJLPUAKK-ZWNOBZJWSA-N 260.768 3.933 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N(C1CC1)[C@@H](C)C#N 600098928 NOAXAQMLOBOIJC-LBPRGKRZSA-N 294.354 3.772 30 20 CHED C[C@H](CCC#N)CN1CC[C@@H](c2ccc(F)cc2)C1 602469752 WLPYLWJOLQNIJX-UKRRQHHQSA-N 260.356 3.555 30 20 CHED Cc1sccc1NC(=O)NC1(c2cccc(C#N)c2)CC1 603083609 VPOWWYUVXRLNCG-UHFFFAOYSA-N 297.383 3.739 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)cc(F)c1F 441608110 GZFZHJJALXCTLX-QMMMGPOBSA-N 289.709 3.538 30 20 CHED N#Cc1cnccc1/C=C\c1cc(Br)cs1 347427668 JLVFEXCWCJGLCZ-UPHRSURJSA-N 291.173 3.948 30 20 CHED C=CCNC(=O)[C@H](C)SCc1ccc(C)cc1Cl 446703275 WDTMLYRJHJGWSX-NSHDSACASA-N 283.824 3.572 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCCCC1(F)F 448910105 JPHOFAYWHZIWJG-CYBMUJFWSA-N 286.366 3.600 30 20 CHED CCc1csc([C@@H](C)Nc2ncc(C#N)cc2Cl)n1 601181566 KHKIXDQBYWHQOZ-MRVPVSSYSA-N 292.795 3.799 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc2occc2c1 352851108 ADDOEHNXHUOADE-WBVHZDCISA-N 271.360 3.504 30 20 CHED Cc1cc(C#N)cc(C)c1OCCCC1CCOCC1 447786316 MDDWUQDZIRQYSI-UHFFFAOYSA-N 273.376 3.761 30 20 CHED COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CC2 268811569 OBEYGNFIGLLSHI-DJJJIMSYSA-N 292.382 3.905 30 20 CHED Cc1cc(-c2noc([C@@H](C)ON=C3CCC3)n2)ccc1F 266615435 JNNQUGHUJMBJKV-SNVBAGLBSA-N 289.310 3.802 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(OCCC(C)C)cc1 608815470 RBCZDMDMYFLWKB-HNNXBMFYSA-N 288.391 3.534 30 20 CHED C=CCN(C(=O)Nc1ccc(CC(F)(F)F)cc1)C1CC1 539009196 QWGGANBAHDEOAE-UHFFFAOYSA-N 298.308 3.974 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 449946967 AZRZXSXTNRVQKO-MLGOLLRUSA-N 281.359 3.585 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2c(F)cccc21 442900479 PTIMCIPNGZUEGO-LBPRGKRZSA-N 266.319 3.821 30 20 CHED C=C(CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 610420469 QHBQRNDCXKFAOW-CQSZACIVSA-N 282.343 3.959 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C12CC3CC(CC(C3)C1)C2 613363236 CNWOUVSAJKEXMJ-RBXDXQPVSA-N 288.435 3.647 30 20 CHED C=CCC1(NC(=O)CCOc2ccccc2F)CCCC1 619106547 RJCDCQZEWZAMNI-UHFFFAOYSA-N 291.366 3.600 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1 353886782 VMJYHJLWNCWYJO-ZDUSSCGKSA-N 286.350 3.636 30 20 CHED CC(C)CSCCCN(C)Cc1cccc(C#N)c1 443677440 ZDDMWSFIMLMPPV-UHFFFAOYSA-N 276.449 3.769 30 20 CHED CC(C)[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccccc1 359775363 ZGGJGNQOCLLYAS-MRXNPFEDSA-N 286.419 3.872 30 20 CHED CCN(CCCC#N)Cc1ccc2ccccc2c1 353451701 WZAJXNTXHBDLAO-UHFFFAOYSA-N 252.361 3.965 30 20 CHED C=C(C)CCc1noc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1 351620520 QATCIUNERPGCRL-UHFFFAOYSA-N 298.321 3.775 30 20 CHED C=CCOc1ccc(C(=O)N2CC3(CCCCC3)C2)cc1 355535979 IKAXAWTVUFTAQI-UHFFFAOYSA-N 285.387 3.658 30 20 CHED C=CCCC1(C(=O)NCc2ccc(C(F)F)cc2)CC1 356762334 HPWXWBDSMOYYNK-UHFFFAOYSA-N 279.330 3.987 30 20 CHED C[C@@H](Nc1ccc(Cl)cn1)c1cccc(C#N)c1 610340412 SZNOYLLBHDQXAT-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CCC(C)(C)CN[C@H]1CCCc2cc(C#N)ccc21 617584299 PUNDPGFYDKADBS-INIZCTEOSA-N 256.393 3.961 30 20 CHED C=C(CC)CNC(=O)[C@H](CC)Oc1ccccc1Cl 456813955 RZVIEDXENJKUAM-ZDUSSCGKSA-N 281.783 3.580 30 20 CHED C=CCCC1(C(=O)N(CC(F)F)CC2CCC2)CC1 361833940 QEUJYWRPPGUNEB-UHFFFAOYSA-N 271.351 3.627 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 535124676 HBCJORKINQZKNJ-BZUAXINKSA-N 261.409 3.794 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCC[C@H]1CCCCO1 612830349 BPPRLJZBAXSQNC-MJGOQNOKSA-N 298.430 3.875 30 20 CHED Cc1cc(C)cc(CCC(=O)N(C)c2ccccc2C#N)c1 538558476 FHHPDOXLGOSXHK-UHFFFAOYSA-N 292.382 3.771 30 20 CHED C=C[C@@H](CC(=O)NC12CCC(CC1)C2)c1ccccc1 364656395 KQWZIJSWMUEHHQ-CSLYMUCUSA-N 269.388 3.795 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1cc2ccccc2o1 278567694 QLZGVEFXFINQTR-LLVKDONJSA-N 270.332 3.550 30 20 CHED C=C(CC)CNC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 456815697 YZDSTFRIWMPEEK-GFCCVEGCSA-N 293.794 3.631 30 20 CHED C=C(C)CCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 453328252 WSTWGGFJLTXUCM-WMLDXEAASA-N 277.383 3.849 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2cccc(F)c2[C@@H]1C 545258054 GGISXLRGZHSQDL-JSGCOSHPSA-N 290.382 3.809 30 20 CHED CC#CCCNC(=O)N[C@@H](CC)c1cccc(Cl)c1 361286537 DNFYOOLMUUPVKP-AWEZNQCLSA-N 278.783 3.504 30 20 CHED C=CCCCCN[C@@H](C)c1cccc(N2CCOCC2)c1 274575564 JOIWPWHMDDSIJA-INIZCTEOSA-N 288.435 3.530 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(-c2cccc(F)c2F)o1 361564179 MNLYFFSATGPURC-NSHDSACASA-N 290.313 3.959 30 20 CHED CC#CCCCC(=O)N[C@H](CC(F)(F)F)c1ccccc1 362144685 DSCYYZLPPLCPBL-CQSZACIVSA-N 297.320 3.990 30 20 CHED Cc1cc(-c2nc3cc(C#N)ccc3[nH]2)cc2cccnc12 544057572 JNJABTYMGOYPHA-UHFFFAOYSA-N 284.322 3.958 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1oc(C)nc1C 279304537 CBPNULLSFQZVEE-UHFFFAOYSA-N 284.359 3.510 30 20 CHED CCOC(=O)c1cccc(S[C@@H]2CC[C@@H](C#N)C2)c1 450928933 HFBCSPQCOBIXMR-BXUZGUMPSA-N 275.373 3.648 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 277241331 CQQUPRZMKDQWDT-QRVBRYPASA-N 295.426 3.975 30 20 CHED Fc1ccc(C#CCN[C@H](Cc2ccccc2)C2CC2)cc1 543471228 ZZVGSHAOSCYSSQ-HXUWFJFHSA-N 293.385 3.788 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Cl)cc1Cl 278323465 UGYWSXIPRKXJRR-UHFFFAOYSA-N 271.147 3.872 30 20 CHED C=CCCN(C)C(=O)c1ccc(SC(C)C)cc1 276343388 GJOOYBHLILWEGR-UHFFFAOYSA-N 263.406 3.835 30 20 CHED C=CCC(C)(C)CNCc1ccnn1-c1ccccc1C 549828404 KEJGZJGQFLQKEK-UHFFFAOYSA-N 283.419 3.873 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1c(F)cccc1F 272375228 ICKBQQCRTWINOQ-LJQANCHMSA-N 285.359 3.543 30 20 CHED N#CC1(CCCN2CCCC23CCCCC3)CCOCC1 375607927 PFBFTOVRFFRIMA-UHFFFAOYSA-N 290.451 3.886 30 20 CHED CC#CCCCC(=O)N1Cc2ccccc2C2(CCC2)C1 376040332 ZSJOOQOIFJEFIX-UHFFFAOYSA-N 281.399 3.644 30 20 CHED N#C[C@@H]1CC[C@H](N2CC[C@](F)(c3cccc(Cl)c3)C2)C1 549695073 XKMLQKVSJWYZIO-UHOFOFEASA-N 292.785 3.903 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 469034836 PQBVMIANXMGBQU-LLVKDONJSA-N 292.345 3.715 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 465119439 HFRGAFMPXYTVCL-HUUCEWRRSA-N 295.382 3.812 30 20 CHED CCc1ccc([C@@H](C)NCCc2cccc(C#N)c2)o1 467437663 WAEKCERXYBSWQQ-CYBMUJFWSA-N 268.360 3.607 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1OCc1ccc(F)cc1 465107538 DBQOJMFZAQARDP-CYBMUJFWSA-N 299.345 3.709 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc(C)cc2F)no1 289703670 MKQMYGMJGNXLSN-MRXNPFEDSA-N 290.338 3.664 30 20 CHED CC[C@H](C)Oc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 559877990 NVIQNBNJVRDBCG-KCQAQPDRSA-N 258.365 3.968 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2cc(C#N)oc2C)cc1 280622950 RUIQDPAVKLREPY-LLVKDONJSA-N 282.343 3.513 30 20 CHED C[C@H]1CC(C)(C)C[C@@H]1NC1(c2cccc(C#N)c2)CC1 551557286 BXBBWVQDTISOJR-BBRMVZONSA-N 268.404 3.962 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)CCC[C@@H]1C 466402420 WBJMUQUDMCZHTK-RDBSUJKOSA-N 252.402 3.561 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1cc(C)c(OC)cc1C 286693917 HAIFKUABEGUYOA-SUMWQHHRSA-N 289.375 3.856 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2(CC)CCC2)cc1 558284812 HOZOJUVYPOODRW-HNNXBMFYSA-N 270.376 3.510 30 20 CHED C=CC[C@@H](CC)NC(=O)c1oc(-c2ccccc2)nc1C 281248509 GBVWBYIUXMUHPM-CQSZACIVSA-N 284.359 3.735 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 280882410 NIPQBHVXGCGSDD-IAGOWNOFSA-N 284.403 3.733 30 20 CHED C=C(CN[C@H]1CCCc2ncccc21)c1ccccc1 631577282 PGDNTAXBYIKFDT-SFHVURJKSA-N 264.372 3.762 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H]1CCCC1(C)C 475406970 KYUGDTSKFQKWOY-OAHLLOKOSA-N 287.403 3.694 30 20 CHED COc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 474078438 IHPXBEJSOUZEFM-UHFFFAOYSA-N 294.354 3.749 30 20 CHED COc1cc(CNC(C)(C)c2ccccc2C)ccc1C#N 555612268 UOGMVPSRQFUMHR-UHFFFAOYSA-N 294.398 3.900 30 20 CHED C=CCC1(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CCC1 294119963 KITGWAZZVHDJHJ-HNNXBMFYSA-N 285.387 3.875 30 20 CHED N#Cc1ccc(CNCCSCc2ccccc2)s1 557654135 WXWJYAJGSQHDKZ-UHFFFAOYSA-N 288.441 3.643 30 20 CHED CC(C)n1cc(C=NNc2cc(Cl)ccc2Cl)nn1 807974282 AUUWSGDXYNMBKI-UHFFFAOYSA-N 298.177 3.612 30 20 CHED C#C[C@@H](NC(=O)[C@H](c1ccccc1)C(C)C)C(C)(C)C 807884110 JNGKVKPVNJOXHO-CVEARBPZSA-N 271.404 3.590 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cccc(C(=O)O)c2)cc1 806559280 YOOMGNMTCGWZPC-DHZHZOJOSA-N 296.322 3.680 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(F)c(C)cc1F 644962069 BWYLKSBVLBZTHC-UHFFFAOYSA-N 267.319 3.605 30 20 CHED C[C@@H](C#N)OCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 801932090 GQGRUYQEWVJFNQ-KSSFIOAISA-N 297.402 3.624 30 20 CHED C#C[C@H](N[C@H](C)Cc1ccccc1SC)C(C)C 809685437 UFPRENLPVHSXCG-HIFRSBDPSA-N 261.434 3.587 30 20 CHED FCCC[C@H]1CCCC1=NNCc1ccc(F)c(F)c1 800809912 CGLLIBSQLVFZFE-GFCCVEGCSA-N 284.325 3.960 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 470289051 RLKRSUPUCXNQNO-CABCVRRESA-N 266.429 3.809 30 20 CHED CC[C@H](NCc1cccc(O)c1)c1ccc(C#N)cc1 566080150 FGWKEVMQGCOIDX-KRWDZBQOSA-N 266.344 3.505 30 20 CHED C=C(C)CN(C)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801688947 BLKYWCVYVSOVLJ-GFCCVEGCSA-N 289.272 3.751 30 20 CHED Cc1cc([C@@H](C)NCc2cc(C#N)ccc2F)oc1C 800482118 OPLQQOQUCCFECN-LLVKDONJSA-N 272.323 3.758 30 20 CHED CC(C)N(CCC#N)C(=O)Cc1cccc(Cl)c1Cl 564707474 ZAENPTJMPYOGAD-UHFFFAOYSA-N 299.201 3.687 30 20 CHED CCCCN(Cc1ccccc1O)[C@@H](C)CCC#N 298626410 VKSUUGVSWNYPMU-AWEZNQCLSA-N 260.381 3.687 30 20 CHED C[C@@H]1CCC[C@H](COC(=O)CCCCCC#N)C1 805697809 HQDQMNHCDRYMJO-KGLIPLIRSA-N 251.370 3.830 30 20 CHED CCCC1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 476351720 FOBBXUWTFVTFNC-UHFFFAOYSA-N 284.403 3.798 30 20 CHED CC(C)C(C)(C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 569216140 SMSSMDHODMGTOH-INIZCTEOSA-N 299.418 3.669 30 20 CHED Cc1ccc(F)cc1/C=C1\Cc2ccc(C#N)cc2C1=O 811694435 QFNMLTXOIKNWMY-OVCLIPMQSA-N 277.298 3.828 30 20 CHED CCCC(=NNc1ccc(F)cc1)c1cccnc1 814693504 UMAYZCQGLJDBCH-UHFFFAOYSA-N 257.312 3.837 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc(F)cc1F 811687270 NATCECNFQSEIPS-QPJJXVBHSA-N 287.240 3.872 30 20 CHED C=CCCCC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 482222582 GHOLUBXZIVZAOB-NWDGAFQWSA-N 277.330 3.828 30 20 CHED Cc1cccc(Br)c1C(=O)OCCCCC#N 811272763 VFYRHEDTDVCMDH-UHFFFAOYSA-N 296.164 3.608 30 20 CHED CC(CCCCCCC(=O)O)=NN[C@@H]1C[C@H]2CC[C@H]1C2 814893378 OLLLLPZSEIRMCL-SOUVJXGZSA-N 280.412 3.566 30 20 CHED Cc1nc(N2C[C@H](C)C[C@H]2c2ccccc2F)ccc1C#N 488049496 MATSQTPMMFVZJS-PXAZEXFGSA-N 295.361 3.988 30 20 CHED CC[C@H](/N=C\c1c(O)cccc1OC)c1ccc(OC)cc1 812396189 MLNCWNAEMBVKNN-JJBLJPBOSA-N 299.370 3.980 30 20 CHED Cc1cccc(-c2noc(-c3cc(C#N)cs3)n2)c1F 485976450 DSFTUCTWSYCLMR-UHFFFAOYSA-N 285.303 3.784 30 20 CHED Cc1sc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c(C#N)c1C 565877315 YHNOCBDQZYGXGF-GRYCIOLGSA-N 274.389 3.611 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(C)c1F 488550708 QRJUZJNDGBFCOX-LBPRGKRZSA-N 262.328 3.707 30 20 CHED CCCCCCCCC(=O)N1CC[C@@]2(CCCN(C)C2)C1 818177735 NTOJHAXWTFFWEU-GOSISDBHSA-N 294.483 3.681 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCNC2(CCC2)C1 817985328 IYTISYMRUIAFJR-JKSUJKDBSA-N 264.457 3.776 30 20 CHED C[C@@H]1SCCC1=NNc1ccc(Br)cc1 814796193 PZXSTKQSYXATMJ-QMMMGPOBSA-N 285.210 3.742 30 20 CHED CCC/C=C/C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813216382 QFIUMEHYPWMZGG-ZWNMCFTASA-N 282.265 3.633 30 20 CHED C=CCC1(NC/C(C)=C/c2ccccc2)CCOCC1 657633429 PBNHIWPYBOTGRM-JQIJEIRASA-N 271.404 3.805 30 20 CHED CCC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1F 814909538 ZINKNDLSGJTWES-GFCCVEGCSA-N 296.361 3.626 30 20 CHED CC(=NOC/C=C/Cl)c1nc2cc(Cl)ccc2n1C 811672419 YKPVOSSWIMIRHV-HRSYEVPKSA-N 298.173 3.720 30 20 CHED CC[C@H](C=NNc1ccc(Cl)nn1)c1ccccc1 814697778 CBDULJKTTUECEY-LLVKDONJSA-N 274.755 3.722 30 20 CHED C=C[C@H]1CCCCN1c1ccnc(Cc2ccccc2)n1 486466791 IOAQGOVDQUFWJA-INIZCTEOSA-N 279.387 3.612 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccc(C)cc2C)cc1 570033188 NADCEHGDANIFOM-SFHVURJKSA-N 292.382 3.861 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccn(-c2ccc(C)cc2)n1 654172319 ZRASWNUUHODMIC-UHFFFAOYSA-N 283.375 3.722 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)c(C)c1)CO2 729151561 XXUPPZMOMZWEHR-MDWZMJQESA-N 298.313 3.801 30 20 CHED Cc1cc(C(=O)/C=C/c2sccc2C)ccc1O 728230241 CCUHHQLITQQUQB-AATRIKPKSA-N 258.342 3.967 30 20 CHED C=CCCCCOC(=O)c1c(F)c(F)cc(F)c1F 811009147 RNFXUWQWIIETGO-UHFFFAOYSA-N 276.229 3.756 30 20 CHED COc1cccc(O)c1C=Nc1ccc(SC)cc1 812402724 IEHQMPIBBDJJEL-UHFFFAOYSA-N 273.357 3.873 30 20 CHED C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@]1(C#N)CC1(C)C 813301138 ZMAGLHDMEJBTIP-KXKDPZRNSA-N 288.778 3.552 30 20 CHED COc1ccccc1/C=C\c1nc2ccccc2n1CC#N 486073963 IOLMUQFYRZDJGJ-KHPPLWFESA-N 289.338 3.739 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(C)ccc1Cl 489963995 LYGPFABTOQOHKH-UHFFFAOYSA-N 274.751 3.888 30 20 CHED C[C@@H]1CCC[C@H]1/N=C/c1cc2ccccc2nc1O 729641659 RXWBZVZBCZEJDP-IBMLWKIOSA-N 254.333 3.548 30 20 CHED Cc1ccc(C)c(OCCSc2ccc(C#N)cn2)c1 498140360 BHHANYSCAXZQJH-UHFFFAOYSA-N 284.384 3.741 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)NC(=O)OC(C)(C)C)n1 495801165 BVMHEWHPTPMYAI-JTQLQIEISA-N 295.383 3.509 30 20 CHED C=CC[C@H](C)N[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1 825660174 YSWFKBMWAWLHFP-QPUJVOFHSA-N 288.174 3.673 30 20 CHED C=C[C@@H](CC)CC(=O)NC1CCC(CSC)CC1 821138318 ZGFSOWSUHLUMLG-HSBZDZAISA-N 269.454 3.627 30 20 CHED CC(C)C#CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 825253221 FNGUALXGRVVWEU-GOSISDBHSA-N 281.399 3.714 30 20 CHED C/C(=C\C(=O)OCCCCC#N)c1ccccc1Cl 727573449 BULPNGZBTJCODJ-VAWYXSNFSA-N 277.751 3.980 30 20 CHED N#CCCCCCC(=O)N(CCC#N)c1ccc(F)cc1 589837699 WHDJPEURCAXVJW-UHFFFAOYSA-N 287.338 3.546 30 20 CHED Cc1nc(NC[C@H](C)c2ccncc2)c(Cl)cc1C#N 589688884 WTMDYGOUAKMCDL-JTQLQIEISA-N 286.766 3.526 30 20 CHED C#C[C@H](NC(=O)Nc1cccc(SCC)c1)C(C)C 821559403 GWFPVPWKRKVREL-AWEZNQCLSA-N 276.405 3.578 30 20 CHED C[C@H](NC[C@@]1(C)CC1(Cl)Cl)c1ccc(C#N)cc1 828663789 ONBZCBPPFMIRRC-GXFFZTMASA-N 283.202 3.793 30 20 CHED C=C(CNCc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 728712052 UINQQPZJXQDWGX-INIZCTEOSA-N 292.382 3.780 30 20 CHED C=CCC[C@@H](N[C@@H]1COc2c(C)cccc2C1)C1CC1 583782522 OSWGFTVEMDJHIV-DLBZAZTESA-N 271.404 3.633 30 20 CHED C=CCC[C@@H](N[C@@H](C)CC(C)(C)c1ccccc1)C(=O)O 901690658 RSPSCUQYILFFIU-GOEBONIOSA-N 289.419 3.752 30 20 CHED CC[C@@H](O)c1cccc(-c2cc(C#N)ccc2OCOC)c1 904883133 XJOIBAAMUFQHMS-QGZVFWFLSA-N 297.354 3.651 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2C[C@]2(C)C(C)C)cc1 582087622 TVERVUMCHGBLME-XYJFISCASA-N 284.403 3.612 30 20 CHED C=C(Cl)COC(=O)c1cc(C(C)C)nc2onc(C)c12 902591668 DPVSFUMETKKTQD-UHFFFAOYSA-N 294.738 3.564 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCCC[C@H]3C)[nH]c12 820083994 HPBFFFWCQQSYOP-KWCYVHTRSA-N 295.386 3.874 30 20 CHED N#CCCCCCC(=O)NCCc1ccc(Cl)s1 588151643 DFNVUOISHDOSST-UHFFFAOYSA-N 284.812 3.534 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@@H](C)c1ncc(C)s1 664659559 XFLRVNBHJDEGEP-LLVKDONJSA-N 295.452 3.599 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1ccsc1 669876685 LOHMYBQHJVNNME-RYUDHWBXSA-N 266.410 3.853 30 20 CHED N#C[C@@]1(C(=O)N2CCCCCCCC2)CC12CCCC2 836920914 RRLWVRHPKLLQDJ-QGZVFWFLSA-N 274.408 3.643 30 20 CHED Cc1ccc(-c2nc(/C=C\C(=O)c3ccncc3)co2)cc1 588386428 QVIKSKAHHBWRMH-SREVYHEPSA-N 290.322 3.941 30 20 CHED C=C(CC)CNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 837098688 AACPUKCGCKHPLB-LBPRGKRZSA-N 289.272 3.798 30 20 CHED CC(C)CC(=O)N(O)Cc1cccc2ccccc12 901368404 YUIDFRGOKYHDIJ-UHFFFAOYSA-N 257.333 3.604 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 580705058 HDHWWWDOXDMEOG-LSDHHAIUSA-N 279.343 3.721 30 20 CHED C[C@@H](C=NOCCC1CC1)c1cc(F)cc(F)c1 834982070 LWFUPLRREMZRKD-JTQLQIEISA-N 253.292 3.871 30 20 CHED CC(C)[C@@H]1C[C@@H](NCC2(C#N)CC2)c2ccccc21 903106879 XSWMJNMIMSFNNO-JKSUJKDBSA-N 254.377 3.764 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1nc2c(s1)CCCC2 736355184 GWPGMLYHXSFTEC-LBPRGKRZSA-N 297.427 3.744 30 20 CHED C#CCO[C@H](C)c1nc(C2CCCCCCC2)no1 834645296 AQLNQUYIEYZAMT-GFCCVEGCSA-N 262.353 3.608 30 20 CHED CCc1ccc(C(=O)/C=C\c2nccn2-c2ccccc2)o1 588578977 KMONZOZOGBUBPB-LUAWRHEFSA-N 292.338 3.924 30 20 CHED CN(CCc1cccc2ccccc12)c1ccnc(C#N)c1 584771755 CMRKRJWOBKFBSX-UHFFFAOYSA-N 287.366 3.785 30 20 CHED Cc1cc(C=NOCc2ccccc2)c(C)n1C1CC1 839422125 XRHWBXXSJIQGLK-UHFFFAOYSA-N 268.360 3.991 30 20 CHED O=C(/C=C\c1sccc1Cl)c1cc(O)ccc1O 588601057 CRMIGZAFJLMTAH-ARJAWSKDSA-N 280.732 3.709 30 20 CHED Cc1ccc(C(C)(C)C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839048817 GPYYZNXYEZISAC-GOEBONIOSA-N 285.387 3.898 30 20 CHED O=C(/C=C\c1sccc1Br)c1ccco1 588467679 AJMHEOANUCFVDF-ARJAWSKDSA-N 283.146 4.000 30 20 CHED Cc1nc2ccccc2cc1C(=O)OC1(CC#N)CCC1 835399907 NRGSEPOAZNAUKO-UHFFFAOYSA-N 280.327 3.536 30 20 CHED N#CCCCCCC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 676329218 UDZSLMNTKANVJJ-ZDUSSCGKSA-N 296.370 3.567 30 20 CHED COc1cc(C=NNc2ccccc2)ccc1OC(F)F 916245814 CFJUYJQJEYBOKC-UHFFFAOYSA-N 292.285 3.743 30 20 CHED CCC(Cc1ccccc1)=NNc1cc(C)nc(C)n1 915967706 KGOCYUHJBNCPRO-UHFFFAOYSA-N 268.364 3.514 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc(COC(C)C)cc1 839035197 UNEGUGVMTKWCPO-CQSZACIVSA-N 274.360 3.570 30 20 CHED Cc1cccc(Cl)c1CN1CCC[C@@H](CC#N)C1 595623462 QFVAUTBAHCBHSX-ZDUSSCGKSA-N 262.784 3.774 30 20 CHED C=CCC[C@H](NCc1ccc(C)nc1N1CCCC1)C1CC1 679724505 YSSLGVZWVUEMIK-SFHVURJKSA-N 299.462 3.825 30 20 CHED N#Cc1cccc(C(=O)COC(=O)CCC2CCCCC2)c1 748220674 PUWIPMFUAOERAC-UHFFFAOYSA-N 299.370 3.645 30 20 CHED C=C(C)CN(C)c1nnc(C2CCCC2)n1CC(=C)C 670212213 WASRQVRBJBVIIG-UHFFFAOYSA-N 274.412 3.524 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H](C)c1ccco1 599326006 PHGORKFNMYFMDO-AWEZNQCLSA-N 276.380 3.562 30 20 CHED CC1CC(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1 598658860 NMJOGFNFWBSEHL-UHFFFAOYSA-N 299.418 3.524 30 20 CHED COC[C@H](C)Oc1ccc(CNc2ccc(C#N)cc2)cc1 596024663 QSSSPRCHOHDVEQ-AWEZNQCLSA-N 296.370 3.584 30 20 CHED CCc1ccc(CC(=O)OCc2ccc(C#N)cc2F)cc1 745113865 INQNZFSIAIAIEG-UHFFFAOYSA-N 297.329 3.546 30 20 CHED CC(C)C[C@H](C(=O)NC1(C#N)CC1)c1ccc(Cl)cc1 598820672 MOMXYEDFHXNGFN-AWEZNQCLSA-N 290.794 3.642 30 20 CHED COC[C@@H](C)N(CCCCC#N)[C@@H]1CCc2ccccc21 599681460 FHJZZCPVEZZNDW-CRAIPNDOSA-N 286.419 3.705 30 20 CHED C=C(C)CON=C(C)c1sc(-c2cccnc2)nc1C 844616572 CNVDSCJCWRZUGE-UHFFFAOYSA-N 287.388 3.830 30 20 CHED CC[C@H](NC(=O)CC1(C#N)CCCCC1)C1CCCC1 597731198 GYYXJXJZQPHVOP-HNNXBMFYSA-N 276.424 3.936 30 20 CHED C/C=C(/C=C/C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CC 841465872 OEFUYTDDBPROEJ-RQQGREHUSA-N 294.398 3.964 30 20 CHED CCCCCC[C@@H](C)C(=O)N(C)c1ccc(C#N)nc1 844826441 RJHDSQADTKLGTM-CYBMUJFWSA-N 273.380 3.523 30 20 CHED N#CCCCCCC(=O)NCc1cc(C2CC2)ccc1F 590767611 OGVUURFTMFMDQY-UHFFFAOYSA-N 288.366 3.793 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cc(Cl)ccc1O 840787695 NWFPSWKBOVCXPH-SNVBAGLBSA-N 266.772 3.636 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 844554419 MRNZOGSHXSUIMJ-NSHDSACASA-N 290.363 3.543 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CC[C@H]2C[C@@H]2C1 596510540 MFWNNPRNPUKZEC-WDEREUQCSA-N 283.762 3.606 30 20 CHED N#Cc1ccc(-c2cccc(N3CCCCC3=O)c2)s1 592989384 UOXCUBZWYNSPKW-UHFFFAOYSA-N 282.368 3.804 30 20 CHED C#CCOc1ccc(NC(=O)N(CC)C[C@H](C)CC)cc1 748949458 XHCPNVAZFZDFBL-CQSZACIVSA-N 288.391 3.599 30 20 CHED C=CCN(C(=O)Cc1c(Cl)cccc1Cl)C(C)C 914683615 VGRJGYORNLTSAH-UHFFFAOYSA-N 286.202 3.959 30 20 CHED C=CCOc1ccccc1CNCc1c(C)cccc1F 742381452 UTBXJIHLDZECOW-UHFFFAOYSA-N 285.362 3.989 30 20 CHED C[C@H]1CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)CC1 845447182 ZWSRGWIPRDVRNL-AVGNSLFASA-N 282.343 3.830 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C[C@@H](C)c2ccco2)cc1 599948792 ULDJRZOODFIHTI-CZUORRHYSA-N 296.370 3.717 30 20 CHED COc1ccccc1C(C)=NNc1cc(F)c(F)c(F)c1 747642160 KHTMSKIRJUVLPN-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C=CCCSCCN[C@H](C)c1nc2c(s1)CCCC2 595058331 HSYLHUMXTRLGDY-GFCCVEGCSA-N 296.505 3.982 30 20 CHED C=CCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 595060549 VFOWJWBFFUEEAD-OAHLLOKOSA-N 260.337 3.528 30 20 CHED Cc1cc(/C=C2/C(=O)c3ccsc3S[C@H]2C)nn1C 840716886 OJNJTNOPTGHYNW-SZUMLMDFSA-N 290.413 3.551 30 20 CHED C=CCN(C(=O)[C@H](CC)Oc1ccccc1Cl)C(C)C 748793108 BUCOQTISZCEOLO-AWEZNQCLSA-N 295.810 3.920 30 20 CHED C=CC[C@H]1N(C(=O)N[C@H](C)CCC)CCCC1(C)C 683529615 HDZOTENPWHVLTI-ZIAGYGMSSA-N 266.429 3.951 30 20 CHED C=CCCO[C@H](C)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 921147449 QUQYASMMQMFDSF-BZUAXINKSA-N 295.467 3.936 30 20 CHED CN(C)c1ccc(/C=C2\Cc3c(F)cc(F)cc3C2=O)cc1 751535202 ICBGWNLCLKDPOP-KPKJPENVSA-N 299.320 3.853 30 20 CHED Cc1ccc(NN=C[C@H]2CCC[C@H](C(F)(F)F)C2)nn1 853304338 JVQHXCQDXUFHGB-QWRGUYRKSA-N 286.301 3.551 30 20 CHED C=CC(C)(C)CCOC(=O)c1coc2c1C(=O)CCC2 851299982 HSNDWYCGOQATCY-UHFFFAOYSA-N 276.332 3.558 30 20 CHED C[C@@H]1CCC[C@H](C(=O)OCc2cc(F)ccc2C#N)C1 759361781 ZAWYFRUURXNRMK-NEPJUHHUSA-N 275.323 3.567 30 20 CHED C=CCOC(=O)c1cc2ccccc2cc1NC(=O)C(C)C 757114452 LLCSZLTXHABQCR-UHFFFAOYSA-N 297.354 3.777 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccc(C)c(OC)c2)c1 920175390 WGWGLPSAHWVSJP-UNOMPAQXSA-N 299.370 3.727 30 20 CHED CCC(=NNc1cc(F)ccc1C)C1CCOCC1 853393405 FVISWGSCBVPMOS-UHFFFAOYSA-N 264.344 3.739 30 20 CHED CC(Cc1cccc(F)c1)=NNc1cc(C)ccn1 759206459 XAYGHEONTVHCRH-UHFFFAOYSA-N 257.312 3.560 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc2cc(O)ccc2c1 755825172 VDANADIXZHMMAI-QGZVFWFLSA-N 285.343 3.813 30 20 CHED C=C(Cl)CN1CC[C@H](Oc2ccccc2Cl)C1 752099375 BUXWCMMDVGKPAZ-NSHDSACASA-N 272.175 3.546 30 20 CHED COc1ccc(C)cc1[C@@H](C)N[C@H](C)CC(C)(C)C#N 924583118 WURMLCWKJJHKBK-ZIAGYGMSSA-N 274.408 3.983 30 20 CHED N#Cc1csc(C(=O)OCc2ccc3ccccc3n2)c1 752285304 PSBMNHYIDIWXTL-UHFFFAOYSA-N 294.335 3.525 30 20 CHED C#CC[C@@H](NC(=O)/C=C(/C)c1ccccc1)c1ccccc1 757574966 AFKINAKAVSVFRV-OAXWQBPPSA-N 289.378 3.971 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccc(F)c(Cl)c1 750950298 SLPJIFJTNQMICC-NVMNQCDNSA-N 293.725 3.812 30 20 CHED CC1(C)CCC/C(=C/c2cccc3c2OCCO3)C1=O 757535890 XKRJMIDEGLBKOP-QBFSEMIESA-N 272.344 3.620 30 20 CHED N#CCC1(CNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 865751499 NTCZUDLYEVNFHO-UHFFFAOYSA-N 281.262 3.638 30 20 CHED C(=NNC1CCCC1)c1cnc(C2CCCC2)s1 767782413 KVQGQAYKEDGTKO-UHFFFAOYSA-N 263.410 3.667 30 20 CHED Cc1ccc(NC(=S)NN=C2CC(C(F)F)C2)c(C)c1 766011033 VIIARBCNJHGZKQ-UHFFFAOYSA-N 297.374 3.621 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@H](CC)COC)cc1 766093072 HBIKHOQEPMLFPR-UKRRQHHQSA-N 297.826 3.894 30 20 CHED CCC(CC)C(=O)N1CCC(=NOCCCC(C)C)CC1 762206784 OOYIRZPTWJOGJT-UHFFFAOYSA-N 296.455 3.854 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(O[C@@H](C)C#N)cc1 769841729 VBSQKNVEUKQOAK-ZDUSSCGKSA-N 297.333 3.871 30 20 CHED C=C[C@H](CC)CC(=O)NCc1ccc2[nH]c(C)cc2c1 935966428 UTIUQDNGZOGVNE-CYBMUJFWSA-N 270.376 3.695 30 20 CHED C[C@@H]1CCCC(=NNc2ncnc3ccsc23)C1 764834869 HWHZVHJCRHBHPL-SECBINFHSA-N 260.366 3.669 30 20 CHED Cc1ccc(C(=O)OCC2(CC#N)CC2)cc1C(F)(F)F 860168350 WRVHOTXPQMZKBW-UHFFFAOYSA-N 297.276 3.865 30 20 CHED COc1ccsc1C(C)=NNc1ccc(F)cc1 769761940 CSWOMSGJGQMXQW-UHFFFAOYSA-N 264.325 3.732 30 20 CHED Cc1sc(NCC2(C#N)CC2)nc1-c1ccc(F)cc1 865752029 IGGRGLMFTXXJRK-UHFFFAOYSA-N 287.363 3.973 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 863810275 HCGDHHGUFXWTDG-OAHLLOKOSA-N 289.806 3.883 30 20 CHED C#CCCCN[C@@H](C)c1oc2ccc(OC)cc2c1C 766232820 HFEOSILGTBWPTG-ZDUSSCGKSA-N 271.360 3.814 30 20 CHED CCCOc1ccc(N=Cc2ccccc2O)cc1 768270395 ZMSIVEXSFXRDMF-UHFFFAOYSA-N 255.317 3.932 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 762722269 JTVMZOONXYIFCR-AWEZNQCLSA-N 283.375 3.713 30 20 CHED CCCCCCCNC(=O)c1c(C)nn(C(C)(C)C)c1C 862360310 FJNPCDBLHDOAAG-UHFFFAOYSA-N 293.455 3.955 30 20 CHED CC(=NOCC(F)(F)F)c1ccc(Cl)s1 764834956 GVDCSWMBPLGFMI-UHFFFAOYSA-N 257.664 3.704 30 20 CHED C#C[C@H](OC(=O)[C@H]1CC=CCC1)c1ccc(C)cc1 860965812 QYSVJAGXLJDXFF-HOTGVXAUSA-N 254.329 3.569 30 20 CHED C=CCCC(=O)COC(=O)[C@H](CCC)c1ccccc1 761371387 GOFUCXKUNNPXAA-MRXNPFEDSA-N 274.360 3.649 30 20 CHED C=CCCC(CC)=NNc1ccc(OC)cc1[N+](=O)[O-] 767803318 LTUXWYPQZYQCRG-UHFFFAOYSA-N 277.324 3.748 30 20 CHED CN(C(=O)C1CCC=CCC1)c1ccc(C#N)c(Cl)c1 876169536 XCEUYHGSAXOHIV-UHFFFAOYSA-N 288.778 3.921 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc2c1OCC[C@H]2OC 879820282 GOLAVFGRUNENJT-CQSZACIVSA-N 289.375 3.697 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 879153251 DHEBYOOLUSWLOF-TZMCWYRMSA-N 293.432 3.639 30 20 CHED C=CCN(CCc1ccco1)C/C(Cl)=C/Cl 778996603 RSXGFNVWCMCIQN-LUAWRHEFSA-N 260.164 3.629 30 20 CHED N#C[C@@H](OC(=O)c1cc(F)c(F)c(F)c1)C1CCCCC1 776384009 WGWHJFWXKRMWGJ-CYBMUJFWSA-N 297.276 3.733 30 20 CHED C#CCOc1ccccc1NC(=S)Nc1cccc(C)c1 774268249 YHBWMXCHINHLTL-UHFFFAOYSA-N 296.395 3.816 30 20 CHED N#CCc1ccccc1CC(=O)NCCCC1CCCCC1 776813823 OKOPEFHXEXMZCE-UHFFFAOYSA-N 298.430 3.772 30 20 CHED C=CCOc1cccnc1C(=O)Oc1ccc(CCC)cc1 775255883 RGAKFCMNQBVNBV-UHFFFAOYSA-N 297.354 3.818 30 20 CHED CCC[C@H](CC)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 873504957 NAMZZCXIEHYGOG-STQMWFEESA-N 283.375 3.874 30 20 CHED Cc1cc(F)ccc1C(=O)OC[C@@H](C#N)Cc1ccccc1 771622137 QHILBOOCHRVEPF-OAHLLOKOSA-N 297.329 3.673 30 20 CHED C=C[C@H](CC)OC(=O)/C=C\c1ccc2[nH]ccc2c1 776104986 NPVCCIDXLJXBPC-IQCBXXCUSA-N 255.317 3.689 30 20 CHED CC1(C)C(=NOC2CCCCC2)[C@H]2CCCO[C@@H]21 777460456 XUIQZSFVOORUCK-OCCSQVGLSA-N 251.370 3.527 30 20 CHED C#CCCCCCC(=O)N1CCCc2sccc2C1 779905903 QTLZXGUIADYZJE-UHFFFAOYSA-N 275.417 3.607 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1ccc(Cl)cn1 774373822 QPKWPTOCSHTFGM-UHFFFAOYSA-N 295.720 3.527 30 20 CHED CC(C)C1CCC(NC(=O)Cc2ccccc2CC#N)CC1 776978844 BHSAIPHGPJKUSM-UHFFFAOYSA-N 298.430 3.626 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@@H](C(F)(F)F)C1 775643286 TYMDISREFQQLIR-LLVKDONJSA-N 288.700 3.596 30 20 CHED CON=Cc1ccc(C(=O)OC/C=C/c2ccccc2)cc1 770282963 KPCDGZUCORSHCB-WQLLGHIXSA-N 295.338 3.537 30 20 CHED C=C(CC)COC(=O)c1cnn(CC(C)C)c1C(F)F 773547469 SNRJXZCXDVCRNF-UHFFFAOYSA-N 286.322 3.600 30 20 CHED Cc1c(F)cccc1C(=O)N[C@@H](CCC#N)c1ccccc1 1127296158 DAEFMGKUICVXKW-KRWDZBQOSA-N 296.345 3.909 30 20 CHED C=CCC[C@H](CCC)NC[C@](C)(O)c1ccc(F)cc1F 772986126 ADKKDVQQOKCIFD-YOEHRIQHSA-N 297.389 3.897 30 20 CHED CC1(C)CCC[C@@H](C=NN[C@H]2CCOC(C)(C)C2)C1 780247574 SSESYQYCRUGTRR-KGLIPLIRSA-N 266.429 3.736 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1[N+](=O)[O-])c1cncs1 787172957 SSOPZXOXMLTBEB-DAFODLJHSA-N 294.719 3.601 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccnc(Cl)c3)cn2c1 789147239 GTVBQLKHCSPKMH-ARJAWSKDSA-N 297.745 3.587 30 20 CHED C=CCC1(O)CCN([C@H](C)c2ccc(Cl)cc2)CC1 886761261 AFCFDKNHPGMDEH-CYBMUJFWSA-N 279.811 3.804 30 20 CHED C#CCCCCCC(=O)OCc1nc2ccccc2nc1C 780255990 ZOQFARSDWYYBDY-UHFFFAOYSA-N 296.370 3.565 30 20 CHED O=C1CCC(=NNc2ccccc2Cl)c2ccccc2N1 783778029 URDJDBBUAZGWOI-UHFFFAOYSA-N 299.761 3.889 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccn(-c2ccccc2)n1 785769074 OSRZAHUOGLUKRD-KRWDZBQOSA-N 284.359 3.518 30 20 CHED C#CCC1(C(=O)N2CCCC(C)(C)CC2)CCCCC1 788225300 PYGCFSVOHBFJBA-UHFFFAOYSA-N 275.436 3.999 30 20 CHED Fc1cccc(C2CC(=NNc3ccc(Cl)nn3)C2)c1 781574770 DIAUHSUDDCDVQG-UHFFFAOYSA-N 290.729 3.615 30 20 CHED O=C(/C=C/c1cc(Cl)cs1)c1cncs1 782327740 UEFMUQILNHJAIK-OWOJBTEDSA-N 255.751 3.754 30 20 CHED C#CCC1(C(=O)NCc2ccc(OCC)cc2)CCCCC1 788170974 CIWSFMZDTNLVPL-UHFFFAOYSA-N 299.414 3.675 30 20 CHED C#CCC1(C(=O)N2C[C@H]3CCCC[C@H]3C2)CCCCC1 788226148 BSGPWVACNMDVPH-IYBDPMFKSA-N 273.420 3.609 30 20 CHED C[C@@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)C[C@H](C)C1 1133912062 XNHYGHSFBPSYNY-INMHGKMJSA-N 284.403 3.578 30 20 CHED Fc1cccc(C=NOCc2ccc(C(F)(F)F)cn2)c1 783869978 DLOAHZLMVZXOON-UHFFFAOYSA-N 298.239 3.790 30 20 CHED CC(=NNc1cccc2c1CCCC2)[C@@H]1CCCO1 783833017 NOYYUCLFMAVKQC-INIZCTEOSA-N 258.365 3.532 30 20 CHED COc1ccc(CCC(C)=NNc2ncccc2C)cc1 790192854 HLQSHTLOKVEFSP-UHFFFAOYSA-N 283.375 3.819 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](C)c1ccccc1F 797886773 VXJYBBKWJJDMQY-SECBINFHSA-N 273.263 3.517 30 20 CHED C[C@H](NN=Cc1cnc(C2CCC2)s1)C(C)(C)C 793116069 WDNYIWYUDZHCSH-JTQLQIEISA-N 265.426 3.769 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccccc2Cl)no1 899990579 RUZIVDZMINXUAH-LBPRGKRZSA-N 277.755 3.746 30 20 CHED C=C1CC(c2noc(-c3c(-c4ccncc4)noc3C)n2)C1 896876970 DSYDBLBOHSPEHE-UHFFFAOYSA-N 294.314 3.529 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2cncnc2)cc1 794979010 UUBFAUOWSHLDKU-OAHLLOKOSA-N 266.348 3.521 30 20 CHED C=C1CC(c2noc([C@@H]3CCCN3Cc3ccccc3)n2)C1 896882910 MIAYAISVMAGHKS-INIZCTEOSA-N 295.386 3.840 30 20 CHED Cc1cccnc1NN=C/C=C/c1ccc(F)c(F)c1 794940029 PGNPKQPQPRELBG-IAJFVOMFSA-N 273.286 3.779 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1coc(C(C)C)n1 799477598 WNWFVLSFUFDPPU-UHFFFAOYSA-N 268.320 3.506 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1ccccc1C#N 16420986 ACMZNFHGTYQAGO-GFCCVEGCSA-N 268.385 3.739 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccc(CF)cc1 796638257 HKZCJXSGJRIWIL-UHFFFAOYSA-N 267.347 3.792 30 20 CHED COCCCON=Cc1ccc(F)c(-c2cccs2)c1 795051649 XPZBTVQISAGTIM-UHFFFAOYSA-N 293.363 3.941 30 20 CHED COc1ccc(NN=Cc2ccsc2Cl)cc1 790171167 GLCMKDIBBCIREO-UHFFFAOYSA-N 266.753 3.856 30 20 CHED CCc1cccc(NC(=O)c2ccc(C)c(C#N)c2)c1 799294809 OAYZDEXVLQHNHM-UHFFFAOYSA-N 264.328 3.681 30 20 CHED Cc1cc(C)cc(NC(=O)NCCc2ccc(C#N)cc2)c1 1202850104 RRVFRSNSABVEEW-UHFFFAOYSA-N 293.370 3.539 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CCCCCCC1 797877919 GKJBHGPEPFYYFG-GOEBONIOSA-N 251.414 3.670 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NN[C@H](C)C(C)(C)C)c1 793116796 UUCRXWHJPQTQJY-CYBMUJFWSA-N 284.407 3.743 30 20 CHED COc1ccccc1CON=C(C)[C@@H](OC)c1ccccc1 799118742 SGPLVZHLBDYQCK-GOSISDBHSA-N 299.370 3.975 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC[C@H]2CCF)c1 794858506 LXXCCZIUODBQCU-JTQLQIEISA-N 265.288 3.522 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)CC#Cc1ccccc1 1319654612 JLWUPWUWOWZMIY-IBGZPJMESA-N 289.378 3.540 30 20 CHED CCc1oc2ccccc2c1C(=O)N1CCC(CC#N)CC1 1319990097 YROUVGHPQHSFCF-UHFFFAOYSA-N 296.370 3.761 30 20 CHED O=C1C=CO[C@@H](C=C(c2ccccc2)c2ccccc2)C1 98178183 QIGIYEDVOXLZRE-GOSISDBHSA-N 276.335 3.990 30 20 CHED CCCc1sc(C(=O)NCC(C)(C)CC#N)cc1CC 701269014 VDRPLRBNGZTNHW-UHFFFAOYSA-N 292.448 3.933 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(Br)cs2)C1 397597040 DTRILZWWYQMYOZ-SNVBAGLBSA-N 299.237 3.636 30 20 CHED C[C@@H]1CC[C@@H](NCCc2ccc(C#N)cc2)C[C@H]1C 1172359784 NVSNVJQWXXXZEQ-CKEIUWERSA-N 256.393 3.515 30 20 CHED Cc1coc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1C 1323374625 ACOQIXMTPWQLRQ-UHFFFAOYSA-N 274.707 3.674 30 20 CHED C#CC[C@@H](NCCc1ccc(F)cc1F)c1ccccc1 1320886232 JAHRGDZWMSTYED-GOSISDBHSA-N 285.337 3.862 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)C1CCOCC1 1323738772 NMFFUUDNDDQXJG-UHFFFAOYSA-N 266.772 3.863 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1c1cccc(CC#N)n1 1320656429 RQVSWSBZHUPYKB-HOCLYGCPSA-N 277.371 3.530 30 20 CHED N#Cc1ccc(NC(=O)c2csc(Cl)c2)cc1 191794622 BFVDSGCUYCWNKC-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=CCCCOC(=O)[C@H](C)Oc1cccc(Cl)c1 735532943 RMMZPSFPGDSHHE-NSHDSACASA-N 268.740 3.617 30 20 CHED C=CCCCOC(=O)c1cnc(Cl)c(Cl)c1 735528440 RDRGUGCMDVJNOT-UHFFFAOYSA-N 260.120 3.511 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc(SC(F)(F)F)c1 1329514808 KUIUYGLNWCELMG-SECBINFHSA-N 289.278 3.757 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1cccc(C#N)c1C 1339965622 BNNXRZJWVORKGI-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C=C(C)CCC(=O)Nc1cc(OC)ccc1Br 1337532570 ZSPYBMPHNOJXCX-UHFFFAOYSA-N 298.180 3.753 30 20 CHED C#CCCCCNCc1cc(Cl)c(OC)cc1Cl 754064009 JMMCVBJUTZCWDZ-UHFFFAOYSA-N 286.202 3.895 30 20 CHED C#CCN(C(=O)c1ccccc1SC)C1CCCCC1 688830773 GGWMZUHQXABHKM-UHFFFAOYSA-N 287.428 3.817 30 20 CHED C[C@@H]1CC[C@H](NCc2cc(C#N)ccc2F)[C@H](C)C1 70113051 PQJIBTKGOHNJOO-HSMVNMDESA-N 260.356 3.612 30 20 CHED C=C(C)CCC(=O)N(CC)[C@H](C)Cc1ccsc1 1337175321 DKVWMJWUWUHFQK-CYBMUJFWSA-N 265.422 3.884 30 20 CHED C=C(Cl)COC(=O)c1cc(C(F)(F)F)ccc1F 761258191 YXSVUXLXBNIVEH-UHFFFAOYSA-N 282.620 3.754 30 20 CHED N#CC1(c2ccccc2)CC(NC2CC3(CCC3)C2)C1 697709491 LJNRQAVKKCPMOZ-UHFFFAOYSA-N 266.388 3.533 30 20 CHED Cc1ccc([C@@H](C)NC(=O)[C@H](CC#N)c2ccccc2)cc1 1264438619 VMMJZSMRTONHER-CRAIPNDOSA-N 292.382 3.870 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@@H](C)C1CC1)c1cccs1 1343904606 FOZVIOCCXNPVOG-MISXGVKJSA-N 277.389 3.928 30 20 CHED N#C[C@@H](C(=O)[C@@]12CCC[C@@H]1C2)c1ccc2ccccc2n1 1345961166 BFKUGSUSPREQFX-HBUWYVDXSA-N 276.339 3.601 30 20 CHED C#C[C@@H](NC(=O)c1cc(C)n(C2CC2)c1C)c1ccccc1 1261499780 VAIWGEHQHZNHHL-GOSISDBHSA-N 292.382 3.544 30 20 CHED N#CC[C@@H](OC(=O)C=C(C1CC1)C1CC1)c1ccco1 1345982526 RORBYSJCKBPQLS-OAHLLOKOSA-N 271.316 3.524 30 20 CHED Cc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1C#N 1349481069 VAWHSJJKTQEMHV-UHFFFAOYSA-N 290.366 3.998 30 20 CHED CCCCO[C@@H]1C[C@@H](Nc2cccc(CC#N)n2)C1(C)C 1342843975 RTTYLCWFZYCDNH-HUUCEWRRSA-N 287.407 3.543 30 20 CHED C=C(C)CCC(=O)Nc1cc(OC)c(Cl)c(OC)c1 1347127991 FFVICGIDFWLNEE-UHFFFAOYSA-N 283.755 3.652 30 20 CHED Cc1nn(C(C)C)c(C)c1CN(CCC#N)CC(C)(C)C 1351950617 QRYSBPNIOHIIBU-UHFFFAOYSA-N 290.455 3.843 30 20 CHED C=C(C)Cn1c(N2C[C@H](C)C[C@H]2CC)nnc1C(C)(F)F 1341808541 OLWCHMYDCPHEKJ-VXGBXAGGSA-N 298.381 3.591 30 20 CHED CCC1(CC)CCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1355641373 UWOZJSGSFLWEGH-INIZCTEOSA-N 284.403 3.723 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2cccc(F)n2)c(C)n1C(C)C 1357579905 DTAGHVQELFOEFO-CQSZACIVSA-N 299.349 3.710 30 20 CHED N#Cc1csc(C(=O)O[C@H]2CCc3cc(F)ccc32)c1 1355278967 RHPKLYCWKDEOIE-ZDUSSCGKSA-N 287.315 3.603 30 20 CHED C=C(Cn1c(C)nnc1N(C)CCCC)c1ccccc1 1359138252 ORGNZGQKTRVUGU-UHFFFAOYSA-N 284.407 3.536 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1ccc(F)c(C#N)c1 1358423833 CHXLFMWNWPSREY-CQSZACIVSA-N 266.291 3.554 30 20 CHED C=CCCCCCCNC1CCN(C(C)(C)C)CC1 806168580 SFEOKZPAEZAERE-UHFFFAOYSA-N 266.473 3.975 30 20 CHED N#Cc1ccc(CSCc2ccncc2)c(F)c1 1459285704 ZFYHNAZVCNWXFT-UHFFFAOYSA-N 258.321 3.526 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1528490945 UWWLCVLCOVKNLC-MGPQQGTHSA-N 263.381 3.828 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)CC(C)(C)C)c1 1466839337 GVWOGBNENHOLQP-GFCCVEGCSA-N 273.380 3.813 30 20 CHED CC(C)Oc1cccc(NC(=O)c2ccsc2C#N)c1 1543941609 ZPRILRGZCRYIMT-UHFFFAOYSA-N 286.356 3.659 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@@H](Cc2ccccc2)C1 1615640221 TWNSOSCRABPSPC-PKOBYXMFSA-N 276.383 3.816 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)c1cccc(C#N)c1 1617777407 CPQGNSYSTNPFTF-SFHVURJKSA-N 292.382 3.699 30 20 CHED COc1ccc(C#N)cc1CN(C)c1cc(C)ccc1C 1559493362 ZLAXNRMAUXJGLC-UHFFFAOYSA-N 280.371 3.820 30 20 CHED COc1ccc(C#N)cc1CN1CCCc2ccc(C)cc21 1559535975 GXOKXAFIEOKPAC-UHFFFAOYSA-N 292.382 3.828 30 20 CHED C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)[C@@H](C)[C@H]1C 1559922800 OCCYCMLBSYBNMH-WOPDTQHZSA-N 262.784 3.688 30 20 CHED Cc1nsc(N[C@@H]2C[C@@H]2C2CCCCC2)c1C#N 1612050902 QWCYRBFOWAFWHH-DGCLKSJQSA-N 261.394 3.704 30 20 CHED CCCN(Cc1ccc(C)cc1)c1cc(C)c(C#N)cn1 1639614245 DDEVKVQCVHNSOM-UHFFFAOYSA-N 279.387 3.987 30 20 CHED N#Cc1cnc(S[C@H]2CCc3ccccc3C2)c(F)c1 1640143537 STDJFGJOJQTENS-AWEZNQCLSA-N 284.359 3.742 30 20 CHED C[C@@H]1CCC[C@H](NCCc2ccc(C#N)cc2)[C@@H]1C 1654217577 BWYXOWVFPVMMHU-CPUCHLNUSA-N 256.393 3.515 30 20 CHED C=CCCCN(CC)[C@H](C(=O)O)c1ccc(Cl)cc1 1588801509 MRZCLEMTGVODBA-AWEZNQCLSA-N 281.783 3.754 30 20 CHED CCO[C@@H]1C[C@H](N(C)CCC(C)(C)C#N)C1(CC)CC 1652780545 JCCRRPUQBFOXCV-LSDHHAIUSA-N 280.456 3.842 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)OCCc1ccccc1 1661423875 IHQBYQOFFIPDMM-UHFFFAOYSA-N 288.391 3.627 30 20 CHED C[C@H](NC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[C@@H](C)C1 1669386088 VUNOUPSMRYBEAO-JKIFEVAISA-N 299.418 3.572 30 20 CHED CCCC[C@@H](S[C@@H](C#N)C1CCCCC1)C(=O)O 1595652650 WBUUHKURDPKYPU-OLZOCXBDSA-N 269.410 3.835 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1676376665 HEPLOGQDARNRBO-UBHSHLNASA-N 286.847 3.747 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccccc1 1679071012 RFLGNRKVRXLOOG-FGTMMUONSA-N 298.430 3.968 30 20 CHED CC1CCN(c2cccc(NC(=O)C3(C#N)CCC3)c2)CC1 153827961 OXUPRVAQTVVETO-UHFFFAOYSA-N 297.402 3.555 30 20 CHED Cc1cc(OC[C@@H](C#N)CCC#N)ccc1Br 153921810 KAVSTWANMDKINP-LLVKDONJSA-N 293.164 3.580 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 156266449 IPHIOBYZEXBTMK-MAUKXSAKSA-N 298.430 3.918 30 20 CHED CC(C)=CCOc1ccc(Br)cc1C#N 157473419 SFGHCVRBABYJJM-UHFFFAOYSA-N 266.138 3.666 30 20 CHED N#Cc1ccc(NCCOC2CCCCC2)cc1Cl 111639543 UQLSDKKDFGYAJF-UHFFFAOYSA-N 278.783 3.973 30 20 CHED C[C@H]1CCN(c2ccc(C#N)c(Br)c2)C[C@@H]1C 228196458 OXCDHKIBIUWYEF-QWRGUYRKSA-N 293.208 3.803 30 20 CHED C#CCCCCC(=O)Nc1cccc(OCCC)c1 119588259 VMSZYFFQIFVJMY-UHFFFAOYSA-N 259.349 3.608 30 20 CHED CC[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N 47873436 LHNJQHDFWRAADQ-SMDDNHRTSA-N 273.336 3.847 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1C1CCCCC1 48565959 ULAGGZDFFPVRFJ-OAHLLOKOSA-N 255.365 3.502 30 20 CHED CC(C)(CC#N)CNC(=O)Cc1ccc(Cl)cc1Cl 458038230 ZPLAXWAVJFDNCX-UHFFFAOYSA-N 299.201 3.592 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CCCCC2(F)F)cc1 294206271 ADWHNUQIIVIZTG-ZDUSSCGKSA-N 278.302 3.517 30 20 CHED C[C@@H](c1ccccc1F)N(C)c1ccc(C#N)cc1 62016683 BHKPPTLIELOJEZ-LBPRGKRZSA-N 254.308 3.895 30 20 CHED C=CC[C@H](CC)Nc1ccncc1Br 308514245 MBXHQZLFKNDRJA-VIFPVBQESA-N 255.159 3.611 30 20 CHED CSC1CCN(c2ccc(C#N)cc2Cl)CC1 310065394 CVSXOWASMLARRE-UHFFFAOYSA-N 266.797 3.543 30 20 CHED COc1cc(C#N)ccc1OC[C@H]1CCC[C@@H](C)C1 311618170 WUFNRDIUBDHYCZ-OCCSQVGLSA-N 259.349 3.772 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1cc(Cl)sc1Cl 312795787 DBRVOLQYYDRMAN-LLVKDONJSA-N 291.203 3.611 30 20 CHED CCOc1ccc2nc(S[C@@H](C)CCC#N)[nH]c2c1 412976401 HXHHFTLLJUTUAT-JTQLQIEISA-N 275.377 3.746 30 20 CHED C=C(C)CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 622842867 XEHFEQGFCFBECS-IRXDYDNUSA-N 259.393 3.662 30 20 CHED C=CC[C@@H](CC)NCc1cnc(C(F)(F)F)s1 341462609 NEBGWJDQHJKQOC-MRVPVSSYSA-N 264.316 3.606 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 708548773 KHVCHJTYCNUVJD-HNNXBMFYSA-N 274.383 3.955 30 20 CHED C#Cc1ccc(CN[C@@H](C)CCOCc2ccccc2)cc1 809781886 CPJQDTPBKXIDHY-KRWDZBQOSA-N 293.410 3.753 30 20 CHED N#CC(CCN1CCCC1)(c1ccccc1)c1ccccc1 29479511 BMSPSRWOTWTTQO-UHFFFAOYSA-N 290.410 3.982 30 20 CHED N#Cc1ccc(COC(=O)c2c[nH]c3ccccc23)c(F)c1 11540359 OATAUGLUYYXNIN-UHFFFAOYSA-N 294.285 3.536 30 20 CHED N#Cc1ccc(OCc2ccc(Br)s2)cc1 19440682 AGQGNJSOBJQSJA-UHFFFAOYSA-N 294.173 3.961 30 20 CHED N#CCOc1ccc(NCc2ccc(Cl)s2)cc1 20126590 UIRBAZMZSOOEDS-UHFFFAOYSA-N 278.764 3.916 30 20 CHED CCc1ccc2nc(NC(=O)C3(C#N)CCCC3)sc2c1 29852348 MRBSZFZRBCGEGK-UHFFFAOYSA-N 299.399 3.881 30 20 CHED N#CC1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCC1 33214677 CTQFOYFMUDTARL-UHFFFAOYSA-N 295.342 3.728 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1c(Cl)cccc1Cl 42449319 ZZZFEIMUYUQZIK-VIFPVBQESA-N 285.174 3.615 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C#N)c1 43329983 CTJAFBYWOIQCKL-UHFFFAOYSA-N 299.761 3.876 30 20 CHED CC(C)Oc1ccc([C@@H](C)Nc2ccc(C#N)cn2)cc1 52356127 YOCOBBFUDWVKOO-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C=C(C)COC(=O)c1csc(-c2ccccc2OC)n1 57581335 LJWBIQMBPPNGLT-UHFFFAOYSA-N 289.356 3.552 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1C 58453694 VWGGEDAPMOLZST-UHFFFAOYSA-N 293.370 3.921 30 20 CHED Cc1cc(C)cc(/C=C2/Cc3c(O)cccc3C2=O)c1 60132726 YPHIHODZJDGLNA-ZROIWOOFSA-N 264.324 3.831 30 20 CHED CCCOCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 65489587 PTCQFGHHXPOWIC-UHFFFAOYSA-N 295.338 3.557 30 20 CHED CC[C@@H](C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 66397660 YBAFXCFBQUTAML-IUODEOHRSA-N 272.392 3.711 30 20 CHED CN(Cc1cccs1)c1nc2ccccc2cc1C#N 71389794 FWRUIULBILJTOK-UHFFFAOYSA-N 279.368 3.804 30 20 CHED C#Cc1cccc(N(Cc2ccon2)Cc2cccs2)c1 77280655 WZEKEKHHHXEZEC-UHFFFAOYSA-N 294.379 3.924 30 20 CHED C=CCNC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 83019082 TVUYPCIPZRGROS-VXGBXAGGSA-N 280.799 3.659 30 20 CHED Cn1c(Cl)cnc1CSCc1ccc(F)cc1C#N 83633362 FMBOLMKFDPOXHQ-UHFFFAOYSA-N 295.770 3.518 30 20 CHED C[C@H](NC(=O)C1(C#N)CCC1)c1ccc(Cl)cc1Cl 83794982 OJYMGPLDMRCYOI-VIFPVBQESA-N 297.185 3.864 30 20 CHED CC[C@H](CNCC(C)(C)CCC#N)Oc1cccc(F)c1 84674683 FCSDQTPWZBGOJO-OAHLLOKOSA-N 292.398 3.903 30 20 CHED C[C@@H](C(=O)O[C@H](C#N)C1CC1)c1ccc2ccccc2c1 84695808 ZJRFGFMZEYUEGQ-SJKOYZFVSA-N 279.339 3.789 30 20 CHED C[C@H](Nc1ccn(CCC#N)n1)c1ccc(Cl)cc1 86154873 WCTRXOOAAAIQFK-NSHDSACASA-N 274.755 3.623 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(CC)s1 90451221 KAXVXRUJIPOGNU-GFCCVEGCSA-N 253.411 3.554 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(F)c(C#N)c1 92224361 LCWMRVRGQRRKNO-QGZVFWFLSA-N 283.350 3.675 30 20 CHED CCOc1cc(Oc2ccc(C#N)cc2)ccc1[N+](=O)[O-] 92581471 URQGQDMRNIGAHV-UHFFFAOYSA-N 284.271 3.657 30 20 CHED C/C(=C/C(=O)N(C)[C@@H](C)CC#N)c1ccccc1Cl 103441104 YVAOEIXCRIZYJC-WEHUKYGOSA-N 276.767 3.504 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@H](c1ccccc1)C(C)C 116858741 NWRQJNOVAQUREU-ZBFHGGJFSA-N 259.393 3.897 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccccc1OC 116973448 KVKCZXKJAPCVEV-HIFRSBDPSA-N 288.391 3.506 30 20 CHED C#CCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 119878598 FXABEQHMZYUXCV-IRXDYDNUSA-N 283.415 3.893 30 20 CHED Cc1nc2c(s1)[C@H](N(C)CCC(C)(C)C#N)CCC2 119919331 ZOERLHPGLFRHCG-CYBMUJFWSA-N 277.437 3.701 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCOC2(CCCC2)C1 127253180 GBMIYXDTAVXKKF-RRFJBIMHSA-N 251.414 3.669 30 20 CHED C=CCCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 132714267 VLERHTQLYZIWKF-UHFFFAOYSA-N 287.382 3.656 30 20 CHED Cc1ccoc1CNc1cccc(OCCCC#N)c1 135158890 ARMMMTVJKGKEAU-UHFFFAOYSA-N 270.332 3.883 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)s2)c(C)o1 135687832 RMPJAKPQMFZLCS-SNVBAGLBSA-N 260.362 3.680 30 20 CHED C[C@]1(CO)CCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 136954824 YNFYLLOHVJYERY-ZIAGYGMSSA-N 298.308 3.540 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(SC(F)F)c1 155987092 NGUAPSOBLVFYCL-SECBINFHSA-N 299.346 3.815 30 20 CHED C=CCN(C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 161858648 JSJKVFLRFITXMN-QWRGUYRKSA-N 284.186 3.741 30 20 CHED CCCc1sc(C(=O)N[C@](C)(C#N)CC)cc1CC 162094386 GPFILNVTLLFCHS-HNNXBMFYSA-N 278.421 3.685 30 20 CHED CC(C)=CCSc1ccccc1C(=O)NC[C@H](C)C#N 172845587 PBPFZXOZRYVSBB-CYBMUJFWSA-N 288.416 3.634 30 20 CHED C#Cc1cccc(NC(=O)N2CCCC(C)(C)CC2)c1 174784930 XCLXQPZYRXVCGN-UHFFFAOYSA-N 270.376 3.712 30 20 CHED C=CCCCC(=O)N(C)CCCCc1ccccc1 175355525 VJCNEGWRTFYCJL-UHFFFAOYSA-N 259.393 3.824 30 20 CHED N#Cc1csc(-c2nc(C3CCCCC3)no2)c1 176659501 QSZGRRGRKMOQIF-UHFFFAOYSA-N 259.334 3.717 30 20 CHED C[C@@H](NC1CCN(C2CCCC2)CC1)c1cccc(C#N)c1 178179310 FLAJDIBYLWIVOA-OAHLLOKOSA-N 297.446 3.616 30 20 CHED C=CCOc1ccc(CN(Cc2c[nH]cn2)C(C)(C)C)cc1 179722753 PBEQZYZJXOJQJX-UHFFFAOYSA-N 299.418 3.775 30 20 CHED C=C(C)CN(C)C(=O)Cc1ccc(Cl)c(Cl)c1 180403222 LWNLJLVTHQPESL-UHFFFAOYSA-N 272.175 3.570 30 20 CHED CCC(CC)CC(=O)Nc1ccccc1O[C@H](C)C#N 182128545 YIWFSMOEGYECJF-GFCCVEGCSA-N 274.364 3.742 30 20 CHED CC[C@@H](CN(CC)C(=O)c1cc(C#N)c[nH]1)c1ccccc1 185145060 YFISCZVAVSFDNP-HNNXBMFYSA-N 295.386 3.542 30 20 CHED N#C[C@@H]1CCC[C@H](NCCOc2cccc3ccccc23)C1 185787598 XEIMBRQHFVQUKV-WBVHZDCISA-N 294.398 3.891 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H](C)[C@@H]2CC)c1 186435737 YUOMLCMKPOLNJJ-BBRMVZONSA-N 288.391 3.904 30 20 CHED CC[C@@H]1[C@@H](C)CCN1Cc1cccc(OCCCC#N)c1 187579572 IQVATVMLNIIFRD-MAUKXSAKSA-N 286.419 3.990 30 20 CHED C=C(C)[C@H](NCCOC(C)C)c1ccc(F)c(F)c1 187774570 STWLEXZMHAUIMX-HNNXBMFYSA-N 269.335 3.597 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1cc(C)cc(C)c1 188593870 GWLOXUWGKPGEBV-QAPCUYQASA-N 289.419 3.709 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C#N)cc2)cnn1C(C)C 188884820 DWJLTNQSNSRMNC-CMDGGOBGSA-N 279.343 3.540 30 20 CHED COc1ccccc1/C=C/C(=O)c1cnn(C(C)C)c1C 188894162 WRIAWXIMWHUHGJ-MDZDMXLPSA-N 284.359 3.677 30 20 CHED N#C[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccccc1Cl 188917038 WQQSXJOSTVICJV-IUODEOHRSA-N 288.778 3.767 30 20 CHED C=C(C)[C@@H](NCC[C@@H]1CCCO1)c1ccc(F)c(F)c1 190009684 QJBMQINNSIRDAU-XJKSGUPXSA-N 281.346 3.741 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(OC)ccc2c1CCC2 190853607 BLDZKCNZWZYOTA-UHFFFAOYSA-N 285.387 3.891 30 20 CHED COc1cccc(/C=C/C(=O)c2ccsc2)c1OC 194615750 OHABOSYLONSBBA-VOTSOKGWSA-N 274.341 3.661 30 20 CHED CCCCCCCCCC(=O)NCC1CCOCC1 194670568 ZBKNSNMXBMIYEG-UHFFFAOYSA-N 269.429 3.670 30 20 CHED COc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)cc1 209193016 GEUUDUYNOLOTHN-UQCOIBPSSA-N 289.312 3.561 30 20 CHED N#Cc1ccc(NCc2cc(C#N)ccc2F)c(Cl)c1 225233530 IHZABZYYYQTWOZ-UHFFFAOYSA-N 285.709 3.835 30 20 CHED Cc1cc(C#N)ccc1CN1CCC(C(C)C)CC1 230226212 CALVCGFBISFXLJ-UHFFFAOYSA-N 256.393 3.735 30 20 CHED CC1(C)CC[C@H](Nc2nc(Cl)c(C#N)s2)C1 232811841 XCBJWAZOMFLYTB-ZETCQYMHSA-N 255.774 3.659 30 20 CHED Cc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)s1 237576877 LXJUIVJDGJMBCP-GFCCVEGCSA-N 286.400 3.637 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 246187732 LEGDUDAFRMUULB-VIKVFOODSA-N 285.391 3.699 30 20 CHED CCCCCCCCCNC(=O)Cc1c(C)noc1C 248290521 SJTNYQZKELMKLS-UHFFFAOYSA-N 280.412 3.701 30 20 CHED Cc1ccc(NC(=S)NN=Cc2sccc2C)cc1 252462200 QPFWRWJKICSEMM-UHFFFAOYSA-N 289.429 3.685 30 20 CHED CCOc1cccc(C=Nc2cc(F)ccc2F)c1O 254520112 WUJIMNYQYJGTQX-UHFFFAOYSA-N 277.270 3.820 30 20 CHED C(=N/N=c1\[nH]c(-c2ccccc2)cs1)c1cccs1 254615094 RUEBODAYVGBGIW-UHFFFAOYSA-N 285.397 3.740 30 20 CHED CCCc1nc(CON=Cc2ccccc2C)cs1 254992676 SITFYCPJBHKDPB-UHFFFAOYSA-N 274.389 3.955 30 20 CHED Cc1ccc([C@@H](O)C/N=C\c2cc(Cl)ccc2O)cc1 255587867 ACRPRCUYRVUTLY-RSFAQHHSSA-N 289.762 3.507 30 20 CHED COc1ccccc1C=NOCc1cccc(F)c1F 255914848 LVIBQBKVSGDXQD-UHFFFAOYSA-N 277.270 3.524 30 20 CHED C=CCCCCC[C@@H](C)NC1CCC(C(=O)O)CC1 263402628 IOQBMYHAIRECRI-WLYUNCDWSA-N 267.413 3.744 30 20 CHED CCOc1cccc(C=Nc2ccc(C)cc2F)c1O 263625993 WHKHHVUFTQAPOP-UHFFFAOYSA-N 273.307 3.989 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc(C#N)c1 265657515 ZDYROYJIBAHBOK-XJKSGUPXSA-N 270.376 3.599 30 20 CHED C[C@H](C1CC1)N(CCCCC#N)Cc1ccccc1 269013957 NXDTYFGWOXHNGG-OAHLLOKOSA-N 256.393 3.981 30 20 CHED C#CC[C@@H](NC(=O)N(CC(C)C)C1CC1)c1ccccc1 270389287 XIWSJBOBVIEVSR-QGZVFWFLSA-N 284.403 3.581 30 20 CHED C[C@H](NC(=O)c1ccc(CC#N)cc1)[C@@H](C)c1ccccc1 270411889 XTZLFJMMOZJTLA-CABCVRRESA-N 292.382 3.675 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cscc1C 272473411 LNCZFGSMWWWUBI-UHFFFAOYSA-N 275.373 3.520 30 20 CHED CC(C)(C#N)c1ccccc1CN[C@]1(C)CCO[C@@H]1C1CC1 273035882 HILSSMFUGQDIEQ-IEBWSBKVSA-N 298.430 3.535 30 20 CHED N#CCc1ccc(-c2nc([C@@H]3CCCCS3)no2)cc1 274138422 WOLLNJKOSJITSH-ZDUSSCGKSA-N 285.372 3.761 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(C(F)(F)F)c1 276340186 RZYTZAIIVJQSIL-UHFFFAOYSA-N 272.270 3.745 30 20 CHED C#CCCCCC(=O)Nc1cc(-c2ccco2)nn1C(C)C 279012746 AQIYNRISIMZDRS-UHFFFAOYSA-N 299.374 3.856 30 20 CHED Cc1ccnc2nc(SCCCC(C)(C)C#N)[nH]c12 279520126 SMXCSYDJOUTNQY-UHFFFAOYSA-N 274.393 3.688 30 20 CHED CO[C@@]1(C)CCCN(c2c(C#N)cnc3ccccc23)CC1 280264363 OEBJDBDZTDZUMJ-SFHVURJKSA-N 295.386 3.502 30 20 CHED Cc1cc(N2CCCCCC2)ccc1NC(=O)C(C)(C)C#N 286132603 NBAFXUULKPBRES-UHFFFAOYSA-N 299.418 3.864 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc3[nH]ccc3c2)no1 288909085 GNLPULNJZYOKHQ-QGZVFWFLSA-N 297.358 3.698 30 20 CHED CC(C)(c1noc(CCCC#N)n1)c1ccccc1Cl 291009312 ASPIMOMJEJKFJT-UHFFFAOYSA-N 289.766 3.895 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)nc1 291417405 YORXBPPDGMQMBU-ZDUSSCGKSA-N 294.354 3.995 30 20 CHED N#Cc1cccnc1NC[C@@H]1CCCCC(F)(F)C1 291973920 WJXSOQBFOBRRQQ-LLVKDONJSA-N 265.307 3.581 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(C)(C)[C@H]1c1cccnc1 292601745 KRLONSWIZACKSJ-LSDHHAIUSA-N 287.407 3.529 30 20 CHED N#Cc1cccc(N2CC3(CCC3)[C@@H]2c2ccccc2)n1 293055752 MQOFFYPGBJLZPO-KRWDZBQOSA-N 275.355 3.685 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 294332027 KUMVMGYDKRZAEJ-XNRPHZJLSA-N 270.376 3.562 30 20 CHED COc1ccc([C@@H]2CCN(c3ccc(C#N)cc3)C2)cc1 301130879 RKGDDABHSCQVPS-MRXNPFEDSA-N 278.355 3.561 30 20 CHED C[C@]1(CNc2ccc(Cl)cc2C#N)CCCC[C@H]1O 301485258 HBDITAQMTSXWLX-HUUCEWRRSA-N 278.783 3.565 30 20 CHED Cc1cc(Oc2nccc(C#N)c2[N+](=O)[O-])ccc1Cl 301635416 KPWSRZXNGOYBSS-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C[C@@H](CC#N)N(C)c1cnc2cc(Cl)c(Cl)cc2n1 302144114 GGQZDPZROJHPIT-QMMMGPOBSA-N 295.173 3.675 30 20 CHED Cc1ccc(CN(C)c2ccc(Cl)cc2C#N)nc1 302698891 UIUDXTQSTLATNG-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CCCCN(C)Cc1ccc(Br)cc1C#N 309279959 HQKJIGDVDRVTGL-UHFFFAOYSA-N 281.197 3.553 30 20 CHED C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 315356422 BFMDCJSARPGGGC-STQMWFEESA-N 295.342 3.878 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCCCC23CCCC3)s1 329641282 XQDHNXOPTJPHQO-CQSZACIVSA-N 288.416 3.853 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)[C@@H]2CCCO[C@H]2C)[nH]1 330042562 CEFVAUNIYLXIII-QWHCGFSZSA-N 299.374 3.788 30 20 CHED C[C@H](O)CC(C)(C)C/N=C(/O)N(C)[C@H](C)C1CCCCC1 330452643 UZNLVSLBWUWAFK-UONOGXRCSA-N 298.471 3.598 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(-c2ccco2)cc1F 334649272 HLVRUNNAKWFHJQ-UHFFFAOYSA-N 272.279 3.574 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2C(C)C)CC1 335016866 YRWSJSBPLKQBSF-UHFFFAOYSA-N 258.365 3.994 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C(F)F)cc2)C1 335931972 POFATPBFIIRWTP-BDJLRTHQSA-N 292.329 3.826 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccs1 336615936 XPCAWQZVDPZKOV-MRXNPFEDSA-N 268.385 3.787 30 20 CHED C=CCC[C@H](NC(C)=O)c1ccc(C(F)(F)F)cc1 337697935 ZKNGGVAJGBLYAP-ZDUSSCGKSA-N 271.282 3.849 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)Cc1ccoc1C 337898949 HADUVOCKXVSLTN-GFCCVEGCSA-N 288.395 3.515 30 20 CHED N#Cc1cccc(C2(NCc3cccc4cccnc34)CC2)c1 341225971 GNEFUGSYWYPABY-UHFFFAOYSA-N 299.377 3.885 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(-c2nccs2)cc1 341431175 KJWRYUWFLHHZBK-UHFFFAOYSA-N 287.388 3.850 30 20 CHED Cc1nsc(N[C@H]2CCCc3ccc(F)cc32)c1C#N 343074444 WOZMVFQLOKXWBI-AWEZNQCLSA-N 287.363 3.952 30 20 CHED N#CCc1ccc(CN2CCc3c(F)cc(F)cc3C2)cc1 343561945 XQTRXSMHQPPMEQ-UHFFFAOYSA-N 298.336 3.589 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)NCC(C)(C)CCC#N)cc1 345883859 KNKSFIHZSBXLKD-OAHLLOKOSA-N 286.419 3.620 30 20 CHED CC(C)C[C@H](C)CC(=O)NCC(C)(C)CCC#N 346011970 QBYDOWSHTPPIOU-ZDUSSCGKSA-N 252.402 3.505 30 20 CHED C=CCn1cccc1-c1nc(-c2cscc2C)no1 347158473 NLNLUEQWNQRYJN-UHFFFAOYSA-N 271.345 3.761 30 20 CHED COc1cc(C#N)ccc1CN1C[C@H](C)CCC[C@H]1C 347241516 AUVWGPMMKKLODT-ZIAGYGMSSA-N 272.392 3.577 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(C(=O)OC)co1 348245556 UCVSLWPPYXXSPG-UHFFFAOYSA-N 299.370 3.645 30 20 CHED Cc1noc(C)c1CN(Cc1ccc(C#N)cc1)CC(C)C 350629664 QPBUXUFBJKIEDY-UHFFFAOYSA-N 297.402 3.821 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1NCc1ccco1 351540770 RMYSMHAHUFFKMY-UHFFFAOYSA-N 284.359 3.540 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)Cc1ccsc1C 353476183 XLWOYDRVSHZYAE-UHFFFAOYSA-N 291.416 3.720 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1 355649820 HUDSBGNXEXQONH-UHFFFAOYSA-N 291.354 3.693 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(CNc2ccc(C#N)cc2)n1 356580936 QAKGELDWUFRYNQ-SWLSCSKDSA-N 296.374 3.847 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@H](C)C2(CCC2)C1 357011394 NUQQFIYXSCCFAE-AWEZNQCLSA-N 284.403 3.579 30 20 CHED Cc1csc2nc(/C=C\c3cc(C#N)cs3)nc(O)c12 358202845 PUJDWIVRAPTDEJ-IHWYPQMZSA-N 299.380 3.809 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)NCC(C)(C)CCC#N 358678694 FEIGOIMNDDSOFZ-KGLIPLIRSA-N 279.428 3.536 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](c1ccccc1)[C@@H](C)CC 359397296 XXVSLIKBHFRNEE-RDJZCZTQSA-N 284.403 3.745 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](CC)C1CCC(C)CC1 359409815 GMRKGXGVSBXBEA-GPANFISMSA-N 276.424 3.767 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 360244287 ZOKHTMPCSGILFG-JKSUJKDBSA-N 282.387 3.517 30 20 CHED CO[C@]1(C)CCCN(CCCCC(C)(C)C#N)CC1 366477432 NTVPALNTPUEMAO-MRXNPFEDSA-N 266.429 3.597 30 20 CHED N#CCCCCN1CCC(Cc2ccccc2F)CC1 369179760 DXLYDYPZMDTMJO-UHFFFAOYSA-N 274.383 3.774 30 20 CHED CC(C)[C@H](C)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 371786072 AFSIUHHBVLBKOD-NXHRZFHOSA-N 298.430 3.967 30 20 CHED C=CC[C@H](C)[C@@H](C)NCC1(c2ccccn2)CCC1 376125233 BLXHIUHZKBZVSJ-LSDHHAIUSA-N 258.409 3.694 30 20 CHED C#CCCCCC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 378401595 XTRCGRROPPZQJT-FUHWJXTLSA-N 283.415 3.660 30 20 CHED Cc1ccc2cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)[nH]c2c1 408399091 FHEKAFMJANKFFS-MRXNPFEDSA-N 295.386 3.631 30 20 CHED C=CCC[C@H](Nc1cccc([C@H]2CCC(=O)N2)c1)C1CC1 414314188 LCNPBROEQCFCHZ-DLBZAZTESA-N 284.403 3.794 30 20 CHED C=CCC[C@@H](C)NC[C@@H]1C[C@H]1c1cccc(OC)c1 414340240 MFQMQZQHCNSYQQ-KMFMINBZSA-N 259.393 3.743 30 20 CHED Cc1occc1CN(Cc1ccc(C#N)cc1)C1CC1 414368093 GDJZQXSOAGKQLD-UHFFFAOYSA-N 266.344 3.624 30 20 CHED C=CCC[C@H](NC[C@H]1NCCc2ccccc21)c1ccco1 423445489 YHDOPOSPPQEXCB-ZWKOTPCHSA-N 296.414 3.764 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(COCC)c1 424653037 XLANKNLSVGRUKY-UHFFFAOYSA-N 261.365 3.764 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(C)(C)c1cccs1 424665089 LANSUJQKIFBHAR-UHFFFAOYSA-N 265.422 3.744 30 20 CHED C=CCCN(C)C(=O)c1cn(-c2ccccc2)nc1C(C)C 424800254 WGUPZENZRFFQKG-UHFFFAOYSA-N 297.402 3.644 30 20 CHED CCS[C@@H]1CCCC[C@H]1N=c1[nH]ccc(C#N)c1Cl 429204861 YTFBPGXAYIADTE-VXGBXAGGSA-N 295.839 3.505 30 20 CHED CC(C)(C)Oc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 429961267 DFMRUIULTHJAKV-UHFFFAOYSA-N 294.354 3.988 30 20 CHED CC(C)[C@H](CNCC1(CC#N)CC1)c1ccccc1 430023898 PMJGKIZKGOBXOU-INIZCTEOSA-N 256.393 3.710 30 20 CHED C=CCN(C)C(=O)N[C@H]1c2ccccc2CC[C@H]1C(C)C 430326899 LATPDMXIEBQLFH-DOTOQJQBSA-N 286.419 3.774 30 20 CHED Cc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c(F)c1 433228620 PMJXIWCQTPLEFW-OAHLLOKOSA-N 296.345 3.845 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1C[C@H]1C1CC1 434075457 QDXMBCFQDBNTAL-HOTGVXAUSA-N 261.409 3.627 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 437471748 WZKFILFYAVLWBL-ZWKOTPCHSA-N 299.414 3.665 30 20 CHED COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H]1c1ccccc1 437573908 COCVRWWLLJNAJX-KUHUBIRLSA-N 292.382 3.760 30 20 CHED N#Cc1ccc(CN2CCCC3(CCCC3)C2)cc1 438375114 SRFLXCYEBLARIG-UHFFFAOYSA-N 254.377 3.714 30 20 CHED N#Cc1ccc(/C=C\c2nc3cc(C(=O)O)ccc3o2)cc1 439269742 DDMIWTHJVAINPI-YVMONPNESA-N 290.278 3.568 30 20 CHED N#CCc1ccc(N[C@H]2Cc3[nH]c4ccccc4c3C2)cc1 442844875 WLPWHQWFJODVSB-OAHLLOKOSA-N 287.366 3.813 30 20 CHED COc1cc(CN2CC=C(C(C)(C)C)CC2)ccc1C#N 442885701 NYWKYBMJOQRCPE-UHFFFAOYSA-N 284.403 3.745 30 20 CHED C=CCC1(C(=O)NCCCCN(CC)CC)CCCCC1 448973932 HCBNGKBIBIONOZ-UHFFFAOYSA-N 294.483 3.751 30 20 CHED CCSCC[C@H](C)NC1CCC(C)(C#N)CC1 449173793 XYNLWDZGFVDSLW-HSBZDZAISA-N 254.443 3.580 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(-c2nc(C)co2)c1 450111458 GOOHEXYXYCKISJ-UHFFFAOYSA-N 270.332 3.801 30 20 CHED Cc1ccc(CN(CC2(C#N)CCC2)C(C)C)s1 450292350 YAGHYONIBHTNFE-UHFFFAOYSA-N 262.422 3.961 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)N(C)Cc1cccc(C#N)c1 455636579 ZALMKECWCLIDPC-CYBMUJFWSA-N 287.407 3.524 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)[C@@H](C)c1cccc(C#N)c1 456348857 SDWORNZYSBEORC-WBAXXEDZSA-N 298.430 3.801 30 20 CHED C=CCC1(NC(=O)C2CCSCC2)CCCCC1 456359350 BZDFUNKEPJKXML-UHFFFAOYSA-N 267.438 3.525 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1scnc1C(C)C)OCC 456444407 WHTDCXRXOUJAMF-LLVKDONJSA-N 282.409 3.576 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cnc(C(C)C)s2)c1 456964196 LDCCJLRSPUGFMB-UHFFFAOYSA-N 285.372 3.699 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H](C)CCSCC 458813114 RYOXMFCSBQKNRF-ZDUSSCGKSA-N 286.485 3.762 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 459007474 SVJXVFHCSLGXRJ-OAHLLOKOSA-N 286.419 3.963 30 20 CHED C=CCN(C(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1ccccc1 459934187 SLIJMZLQTJDMFJ-DZKIICNBSA-N 255.361 3.642 30 20 CHED C[C@@H](C#N)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 461980513 BWJJVEISRXJAHU-LBPRGKRZSA-N 290.794 3.775 30 20 CHED C=CCCCNc1ccc(C(C)(C)C(=O)OC)cc1 462193894 XGLFFMUEAPGSRU-UHFFFAOYSA-N 261.365 3.515 30 20 CHED CN(C)[C@H](CNc1ccc(C#N)cc1F)C1CCCCC1 462929392 MLTBSPXHSPCZRV-QGZVFWFLSA-N 289.398 3.620 30 20 CHED CCC(CC)(CN=c1ccc(C#N)c[nH]1)c1ccccc1 462941985 BOGIJMMKDAWBKJ-UHFFFAOYSA-N 279.387 3.545 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)C1(C)C 463481605 FNOLPQYBQJXZSE-HUUCEWRRSA-N 276.355 3.701 30 20 CHED C=CCCN(C)CC(=O)N[C@H](C)c1cccc2ccccc12 467291260 VJUJPFDAYRLAIX-OAHLLOKOSA-N 296.414 3.525 30 20 CHED C=CCC(CC=C)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 467367973 FFNBSOJIVBFRHW-BPUTZDHNSA-N 261.409 3.697 30 20 CHED CN(CC1CCCCC1)C(=O)[C@H](C#N)CCc1ccccc1 469522139 ODYCQDNSNGBQQD-SFHVURJKSA-N 298.430 3.798 30 20 CHED C=CCOCCCN(C)Cc1csc2ccccc12 470715648 GVQLJGJQCOABDX-UHFFFAOYSA-N 275.417 3.926 30 20 CHED C=CCCCCNC(=O)c1ccc(Cl)cc1C 471718195 UNPMPMSHIPGTDG-UHFFFAOYSA-N 251.757 3.735 30 20 CHED C=C[C@@H](C)NC(=O)N1CC=C(c2cccc(Cl)c2)CC1 474666644 GKDBDPXKEYNYGD-GFCCVEGCSA-N 290.794 3.713 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 475662799 AFQGKPKLJLOJHM-ZMLRMANQSA-N 297.185 3.515 30 20 CHED C=CCCC1(C(=O)N2CCSC(CC)(CC)C2)CC1 476694866 UTGOZFLYJMJHNO-UHFFFAOYSA-N 281.465 3.867 30 20 CHED C=CCC1(C(=O)N2CCc3c(Cl)cccc32)CCC1 478413844 FSMOTIOLIGJRAF-UHFFFAOYSA-N 275.779 3.976 30 20 CHED CC[C@@H](C#N)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 479938104 DGNRLXJUXPQPAF-QMMMGPOBSA-N 296.157 3.507 30 20 CHED C=C(C)CN(C)Cc1ccc(CN(C)CC(=C)C)cc1 481229889 BLSDUGIJCPUDOG-UHFFFAOYSA-N 272.436 3.702 30 20 CHED CC#CCCN[C@@H]1CCC[C@@H]1c1ccccc1Cl 482164838 QGKIHOUCVONBIS-GDBMZVCRSA-N 261.796 3.979 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC=C)CC1CCCCC1 482877806 HJAKBVBKLJKZAH-OAHLLOKOSA-N 279.424 3.563 30 20 CHED C=C[C@H]1CCCCN1c1ncnc2sc(CC)cc12 486489867 UREVPGCYLNUQFI-NSHDSACASA-N 273.405 3.799 30 20 CHED Cc1cc(CN(C)CCOCc2ccccc2)ccc1C#N 488171261 NYTYLEGIANHJLX-UHFFFAOYSA-N 294.398 3.515 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1csc(C(C)(C)C)n1 488855543 AQSMCBOQBOSVRT-CYBMUJFWSA-N 292.448 3.550 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(OC(F)(F)F)c1 488884787 UPNUACFFOKBWOM-LBPRGKRZSA-N 299.292 3.766 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccn(C2CCCC2)n1 489515481 RQJCZGBIVNJJPI-OAHLLOKOSA-N 259.397 3.539 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC2(CCC2)[C@@H]1C(C)C 489853668 GVCMOGWPMDESBV-GJZGRUSLSA-N 278.440 3.951 30 20 CHED C=CCC(C)(C)CNC(=O)CCSCCCC 489936783 RRFVKGNMNUGGIN-UHFFFAOYSA-N 257.443 3.628 30 20 CHED C=CCC(C)(C)CNC(=O)CSc1cccc(OC)c1 490037486 HNZMUUZXYOOJSP-UHFFFAOYSA-N 293.432 3.506 30 20 CHED Cc1ccncc1/C=C/C(=O)Nc1ccc(Cl)c(C#N)c1 492539058 UQEAGNLMOSBXEM-GORDUTHDSA-N 297.745 3.567 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)CC(C)(C)C#N 497045758 FOLSQMOOZLPCEN-KGLIPLIRSA-N 264.413 3.647 30 20 CHED COc1cc(C#N)ccc1CSc1ccccc1F 499325706 FEGHWCFUHVQXEJ-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=CCC(CC=C)C(=O)NCC1CCC(F)(F)CC1 501219064 SIKNSKBWVHQZJH-UHFFFAOYSA-N 271.351 3.697 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@@H]2c2ccc(F)cc2)n1 508633849 SZRDZEFFMIWVQH-ZIAGYGMSSA-N 272.323 3.989 30 20 CHED CCC(CC)(CC)NC(=O)c1cccc(C#N)c1C 509976563 HEZAGURCZVKASW-UHFFFAOYSA-N 258.365 3.565 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1nc2c(cc1C#N)CCC2 511714457 VDBDXDKCDUBIPZ-SFHVURJKSA-N 289.382 3.850 30 20 CHED C=CCN(C[C@@H](OC)c1ccc(Cl)cc1)C1CC1 514137347 FIHMQLAGGWSUBC-OAHLLOKOSA-N 265.784 3.678 30 20 CHED Cc1ccc(C[C@@H]2CCCN(c3cccnc3C#N)C2)cc1 514698276 HVMMRFFVSGVEPF-KRWDZBQOSA-N 291.398 3.721 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ncnc3sc4ccccc4c23)C1 515167099 FYKSSJYAMHDDPW-MNOVXSKESA-N 294.383 3.949 30 20 CHED CC[C@H](CC(=O)Nc1cc(C#N)ccc1OC)C(C)C 521462612 PWAZYPIPGFAETJ-CYBMUJFWSA-N 274.364 3.578 30 20 CHED C=CCCCN(C)C(=O)c1ccc(N(C)CC(C)C)cc1 522954778 LSUXCAFBFVYSBR-UHFFFAOYSA-N 288.435 3.817 30 20 CHED C=CCN1CCC(N[C@@H](CC)CCc2ccccc2)CC1 527857511 CHEORJXKTIQTQV-SFHVURJKSA-N 286.463 3.638 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@@H](c2ccccc2)C1 529422078 JMZBASYQOUCRCD-MRXNPFEDSA-N 284.403 3.723 30 20 CHED CC(C)CCC1CCN(C(=O)C2(C#N)CC(C)C2)CC1 532360158 SFINQVQSJNERSD-UHFFFAOYSA-N 276.424 3.601 30 20 CHED CC(C)(C#N)CCCN1CCOc2c(Cl)cccc21 532381205 FPXJJAJQFOJPBL-UHFFFAOYSA-N 278.783 3.869 30 20 CHED CC(C)C[C@@H]1CCCN1CC#Cc1ccc(F)cc1 533005068 VXVGDTQBTUGXJQ-KRWDZBQOSA-N 259.368 3.688 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)c(F)c1 540544677 WAXFLKMGFBEWCA-SNVBAGLBSA-N 268.307 3.831 30 20 CHED CCCOc1cc(C)ccc1CNc1nccc(C)c1C#N 542211399 WDAPKDFKXGXDOQ-UHFFFAOYSA-N 295.386 3.971 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N2CCC(CC#N)CC2)cc1 543832402 BAJNRWOSAQKHIO-HNNXBMFYSA-N 298.430 3.895 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@H](C(C)(C)C)C1 544111988 KIZBJPJBICKREW-HNNXBMFYSA-N 281.440 3.644 30 20 CHED C=CCOCCN1CCCCC[C@H]1c1ccccc1 549366452 LHWQWVBSCSVVBS-KRWDZBQOSA-N 259.393 3.806 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(C1CC1)C1(C#N)CCC1 551284785 NNBSLUQCDACTLF-UKRRQHHQSA-N 274.408 3.640 30 20 CHED C=C[C@](C)(O)CC(=O)N(CCCC)[C@@H]1CCC[C@H](C)C1 554624144 IURQAWZMDVJXFX-UXLLHSPISA-N 281.440 3.521 30 20 CHED CC(C)N1CCCC[C@@H]1CSc1cccc(C#N)c1 555470608 ZZFJUMHQGUZWID-OAHLLOKOSA-N 274.433 3.913 30 20 CHED CCC(CC)C(=O)N(CCC#N)c1ccc(F)cc1 556707830 ZMRNHMDSVRRDAL-UHFFFAOYSA-N 262.328 3.509 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 557020810 SMGUOCJTUIWFDL-ZFWWWQNUSA-N 299.418 3.549 30 20 CHED CC(F)(F)CNc1ccc(C(F)(F)F)cc1C#N 558949380 KLBIWDHZRBWLEJ-UHFFFAOYSA-N 264.197 3.644 30 20 CHED CCCCN(C(=O)c1ncc(C#N)cc1C)C1CCCCC1 559307714 UZMADUAGBHHXDM-UHFFFAOYSA-N 299.418 3.837 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCOc2c(CC)cccc21 559431503 IHAZFYLYNOTBBA-OAHLLOKOSA-N 287.403 3.791 30 20 CHED C[C@@H]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)C[C@H]1C 560261074 GUOPRFFPYZECSY-CPUCHLNUSA-N 268.404 3.962 30 20 CHED Cc1ccc(C(C)(C)CN(C)Cc2ccc(C#N)cn2)cc1 562496568 TVEOGMMESUACBA-UHFFFAOYSA-N 293.414 3.671 30 20 CHED Cc1ccc(-c2n[nH]c(SCC(C)(C)CC#N)n2)cc1 565314892 NWUDJCGHERAGLH-UHFFFAOYSA-N 286.404 3.812 30 20 CHED C=C(C)CCNC(=O)Nc1nc(C)c(C(F)(F)F)s1 577581984 RUWDVENQBSHPHB-UHFFFAOYSA-N 293.314 3.558 30 20 CHED N#Cc1cc(F)cc(OCc2ccccc2OC(F)F)c1 577892532 VXUNYJURLMJTTQ-UHFFFAOYSA-N 293.244 3.878 30 20 CHED C=C[C@@H]1CCCCN1c1ccc2cc(C#N)ccc2n1 579906478 DSXGATCZRCXGPA-OAHLLOKOSA-N 263.344 3.651 30 20 CHED C[C@H]1CC[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 580958262 ZPROVJNTMUZKRB-WHOFXGATSA-N 290.794 3.847 30 20 CHED N#Cc1sccc1-c1ccc2c(c1)CC[C@]21C[C@H]1C(=O)O 582133031 GQIQYAWSGPYBRT-YOEHRIQHSA-N 295.363 3.575 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2cccc(F)c2[C@H]1C 582828977 JLICMJSJCCZMDQ-GFCCVEGCSA-N 290.382 3.667 30 20 CHED Cc1oc(C)c(C(=O)N(CCC#N)CC(C)(C)C)c1C 585698689 LMLSSQBIFCVBAI-UHFFFAOYSA-N 276.380 3.607 30 20 CHED CC(F)(F)CCN[C@H]1CCCc2cc(C#N)ccc21 590778737 GZYFYNFNWPLJBI-AWEZNQCLSA-N 264.319 3.571 30 20 CHED COC1([C@H](C)NCc2ccc(C#N)c(Cl)c2)CCCC1 591531424 QYSRFSOICBAVNZ-LBPRGKRZSA-N 292.810 3.649 30 20 CHED C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1c1ccc(C#N)cc1 591988501 SFFDSWOJXQVZRQ-ACJLOTCBSA-N 296.345 3.664 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C 592579419 TWOUQBDHELBCMJ-JKSUJKDBSA-N 284.403 3.589 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 593387887 XMDIZALNAACMSV-WMZOPIPTSA-N 292.382 3.636 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 593406511 DDRLQLDVZDUEKR-DOMZBBRYSA-N 290.382 3.969 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1Cc1ccc(C#N)cn1 593962584 RWZUEILPKWFPTF-LJQANCHMSA-N 291.398 3.709 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H]([C@H]2CCCCO2)C1 595788428 NUJLEDMOMWDMHC-ATZDWAIDSA-N 298.430 3.900 30 20 CHED CC[C@@H](C)N(CC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 596632893 QQTAUNNJERUQMF-DYVFJYSZSA-N 299.418 3.766 30 20 CHED COc1ccc(CO)c(-c2cccc(CC(C)(C)C#N)c2)c1 596642215 OKMSVFVDRYPBEI-UHFFFAOYSA-N 295.382 3.947 30 20 CHED CSc1c(F)cccc1N[C@@H]1CC[C@H](C#N)C1 597175872 QXAKSTMHJKBLBI-VHSXEESVSA-N 250.342 3.652 30 20 CHED N#CCCCCCC(=O)NC1CCC(C2CCC2)CC1 598450872 JCJBXKZOFOWEJR-UHFFFAOYSA-N 276.424 3.936 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C[C@@H](C)CCC#N 602450393 VHRXNOZIODCTOJ-HNNXBMFYSA-N 272.392 3.623 30 20 CHED C[C@@H](CCC#N)CNc1cccc(C(=O)N2CCCCC2)c1 602489807 AGPXWNGJYHEXBQ-HNNXBMFYSA-N 299.418 3.664 30 20 CHED Cc1c(NC[C@@H](C)CCC#N)cccc1C(=O)N1CCCC1 602492202 VBNXRZUTVDXXAC-AWEZNQCLSA-N 299.418 3.583 30 20 CHED CC[C@H](NCc1cccc(C#N)n1)c1ccc(C)cc1 602498452 KHPMCSLTLSIJJM-KRWDZBQOSA-N 265.360 3.503 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCCOc2ccc(F)cc21 602532059 UZBGKMMKHZQJMK-WFASDCNBSA-N 276.355 3.569 30 20 CHED Cc1[nH]c2ccc(F)cc2c1CCNC[C@H](C)CCC#N 602728210 ZLBBGOQCQMTCIB-GFCCVEGCSA-N 287.382 3.687 30 20 CHED COc1ccc(C2CCN(CC3(CC#N)CC3)CC2)cc1 602779248 CWUFZGWWVCOOAF-UHFFFAOYSA-N 284.403 3.568 30 20 CHED CSC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 602919287 DNZGSOLCAZNZLA-UHFFFAOYSA-N 288.460 3.815 30 20 CHED N#Cc1c(F)cccc1NCCN1CCCc2ccccc21 604519834 MWQHUAIOJGZSIK-UHFFFAOYSA-N 295.361 3.562 30 20 CHED C=CCCOCC(=O)Nc1ccc(C(F)(F)F)c(C)c1 608476584 WNIHXMCMUHRBPA-UHFFFAOYSA-N 287.281 3.545 30 20 CHED CCCc1cc(C(=O)N[C@H](C#N)CC(C)C)sc1C 608820634 GQLYXQSWEMOXSD-ZDUSSCGKSA-N 278.421 3.677 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(F)cc(Cl)c2)C1 614453280 KLVMBMRQMAEBQM-AWEZNQCLSA-N 266.747 3.605 30 20 CHED COc1cc(C)c([C@H](C)N2CCC(CC#N)CC2)cc1C 614963484 FMHJMIUQUPLRHE-HNNXBMFYSA-N 286.419 3.999 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1nccc2ccccc12)OCC 615885599 ZCBZHKMYOHKCRZ-OAHLLOKOSA-N 284.359 3.545 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(OCC)c2)C1 617785502 KSGRCJHAGVLWKJ-CQSZACIVSA-N 273.376 3.514 30 20 CHED C=C(CNCc1cc(OC)cc(OC)c1)c1ccccc1 620757784 GFVSYPRKQKSTRP-UHFFFAOYSA-N 283.371 3.507 30 20 CHED C=CCCC(C)(C)NC(=O)CCCc1nc(C)cs1 620857211 RXPQDUXNRSGHJX-UHFFFAOYSA-N 280.437 3.635 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OCCC)c(F)c1 627041692 OTCBBDYELZSDTF-NSHDSACASA-N 280.343 3.701 30 20 CHED C=CCCC[C@@H](C)N[C@@H](c1nc[nH]n1)C1CCCCC1 638837809 XPXQCXXRQBHKCM-UKRRQHHQSA-N 276.428 3.761 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccsc1C 640471432 WUGYDUYTUMVUIK-NSHDSACASA-N 250.367 3.629 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 648802200 YSWQCAXXVFFORO-DZGCQCFKSA-N 257.377 3.808 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 653094296 ZYDRZHKKMVBJFK-QWRGUYRKSA-N 292.345 3.571 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC1(CCO)CCCC1 657894601 AIEIUZKCPGZTRC-HOTGVXAUSA-N 265.441 3.654 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@H](CCC)CCO 657896794 VZZNFSDFOOUOAI-BZUAXINKSA-N 253.430 3.510 30 20 CHED C=CC[C@@H]1CCCN(Cc2csc(-c3ccccn3)n2)C1 661379103 SVBXLHOGLGSZGA-CQSZACIVSA-N 299.443 3.993 30 20 CHED C=CC1CCN(c2cc(Cl)c3ncccc3n2)CC1 663586965 WZBFLOYBDVPIPF-UHFFFAOYSA-N 273.767 3.686 30 20 CHED C=CCNc1ccc(C(F)(F)C(F)(F)F)cc1 674904492 WGQHCEAOPJGRKV-UHFFFAOYSA-N 251.198 3.939 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccn([C@H](C)c2ccccc2)n1 675386271 WAGVPQDLBSQIPH-UONOGXRCSA-N 298.390 3.579 30 20 CHED C=C(C)CN(C)C(=O)c1cc2cccc(C)c2s1 675859450 OCKLCODBNYRIJS-UHFFFAOYSA-N 259.374 3.858 30 20 CHED C=CCN(Cc1ccc(O)cc1)Cc1cccs1 682405323 QGTFNQIOXUUNML-UHFFFAOYSA-N 259.374 3.642 30 20 CHED C=CCCN(C)Cc1ncc(-c2ccccc2C)o1 682435004 GVGTVKDFULIILY-UHFFFAOYSA-N 256.349 3.658 30 20 CHED C#CCN(C(=O)[C@@H]1CCC[C@H](C)C1)C1CCCCC1 688892951 LTZACABEBOYLTA-LSDHHAIUSA-N 261.409 3.607 30 20 CHED C#C[C@@H](NCc1csc(C(C)(C)C)n1)C(C)(C)C 705243797 JEZYOLNNBQYIEI-GFCCVEGCSA-N 264.438 3.578 30 20 CHED CCCCCCCC(=O)NCc1nc(C)c2ccccc2n1 726515615 YFUPJPTZZCGACJ-UHFFFAOYSA-N 299.418 3.915 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCCO[C@H](C)C1 727601841 YYNZDJDFHUAZGY-JKSUJKDBSA-N 298.471 3.803 30 20 CHED C=CCNC(=S)N(Cc1ccccc1)CC(C)(C)C 728789797 IRVLXWYRSLPOGO-UHFFFAOYSA-N 276.449 3.595 30 20 CHED C/C(=C\C(=O)N(CCC#N)CCC(C)C)c1ccccc1 728871511 VMLVTJJDCSCACF-JQIJEIRASA-N 284.403 3.878 30 20 CHED C(/C=C\c1ccccc1)=NNCCCc1ccccc1 729146175 OSFVNCHMTMYUEX-GVMLJBEOSA-N 264.372 3.908 30 20 CHED CCC(=NNc1ccc(C)nn1)c1ccc(Cl)cc1 729936746 WZDAXUHMHQZPRH-UHFFFAOYSA-N 274.755 3.665 30 20 CHED Cc1ccc2c(c1)C(=NNc1oc(C(C)C)nc1C#N)CC2 730946633 GCSCRROMIKACOL-UHFFFAOYSA-N 294.358 3.741 30 20 CHED C#CCOc1ccc(NC(=O)CC2CCCCC2)cc1 730982920 YJTZBEGWXNJIHK-UHFFFAOYSA-N 271.360 3.608 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)C[C@@H]2CCOC2)c1 732200914 TXHYCPYFGVCTQI-IBGZPJMESA-N 291.394 3.711 30 20 CHED CC(C)n1cc(C=NNc2nccc3sccc23)cn1 732712419 GTMMSTCURNETQI-UHFFFAOYSA-N 285.376 3.520 30 20 CHED C#CCOc1ccc(CNC[C@@H]2CCc3ccccc32)cc1 733328586 VWTZJESNYCCLAO-SFHVURJKSA-N 291.394 3.518 30 20 CHED COc1cc(C#N)ccc1OC(=O)/C=C/C1CCCCC1 735424373 YBFAYIVAGADPQB-CSKARUKUSA-N 285.343 3.609 30 20 CHED CCO[C@@H]1CC(=NNc2nccc3sccc23)C1(C)C 736429683 DEILIKMSHABLSJ-CYBMUJFWSA-N 289.404 3.899 30 20 CHED C#CCCOC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 739153172 MXDIYBXIFUNKQN-LLVKDONJSA-N 284.277 3.766 30 20 CHED CCCCCCCCC(=O)N1CCO[C@H](C(F)(F)F)C1 739759338 ASYMQRHQFFJNQY-LBPRGKRZSA-N 295.345 3.527 30 20 CHED C=CCCOC(=O)c1ccccc1OCc1ccccc1 740189285 KVFYGJVELFDBSJ-UHFFFAOYSA-N 282.339 3.999 30 20 CHED C#CCOc1cccc(NC(=O)C2CCCCCCC2)c1 741566012 WTHUWRZYIBTXBP-UHFFFAOYSA-N 285.387 3.998 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2sc(C)c(C)c2C#N)o1 744353220 VWGYZTCQDUDGAS-JTQLQIEISA-N 288.372 3.880 30 20 CHED CC#CCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 744974414 HRKIEQQQTHMELK-NEPJUHHUSA-N 283.154 3.663 30 20 CHED Fc1ccc(/C=C/C=NNCCc2ccccc2F)cc1 747765507 AADHMKZYLPAUCH-HRXBDDFPSA-N 286.325 3.796 30 20 CHED N#Cc1c[nH]c(C(=O)OCc2ccc(Cl)cc2Cl)c1 748223903 UWNGIMKQQXPKOY-UHFFFAOYSA-N 295.125 3.550 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)Cc2c(F)cccc21 748997123 FTPHYLJNKRNBIN-POHAHGRESA-N 273.694 3.697 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@@H](C)C1CCCC1 749401241 VAKMOFBOSVTSRM-LBPRGKRZSA-N 289.350 3.603 30 20 CHED C#CCCOC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 752169338 ZNJLHMYOHWPAGA-CYBMUJFWSA-N 284.277 3.766 30 20 CHED FC(F)(F)c1ccccc1ON=Cc1ccccn1 754712836 UVHYMWATOUXWBF-UHFFFAOYSA-N 266.222 3.513 30 20 CHED Fc1ccc(CNN=Cc2ccc(F)c(Cl)c2)cc1F 755657238 NGLCMPMYINVQPK-UHFFFAOYSA-N 298.695 3.881 30 20 CHED FC(F)(F)c1csc(NN=Cc2ccccc2)n1 755903940 KWVAIUIEFKYAET-UHFFFAOYSA-N 271.267 3.608 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1C#N 757472860 AJOPADDBGPGSTE-QHHAFSJGSA-N 299.276 3.741 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccc(F)cc1Br 758374891 YQJMECHVNNLJAM-YUMQZZPRSA-N 271.133 3.642 30 20 CHED C#CCCCCNC(=O)N(C)[C@H]1CCCc2ccccc21 758880533 XCGGDQYNNAXNLT-KRWDZBQOSA-N 284.403 3.509 30 20 CHED C#CCCCCNC(=O)N1CCCCC[C@H]1CC(C)C 758890111 XYXAQDJWDJIMMQ-INIZCTEOSA-N 278.440 3.790 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(C#N)s1)O2 759118109 SMGIIJRJGPKDQW-CHHVJCJISA-N 281.336 3.853 30 20 CHED Fc1ccc(CNN=Cc2cccc(Cl)c2F)cc1F 759652468 HTVPSGGIXSXUNN-UHFFFAOYSA-N 298.695 3.881 30 20 CHED Fc1cnc(NN=Cc2ccc(-c3ccccc3)cc2)nc1 760255594 WQCOWYWTZOTRQO-UHFFFAOYSA-N 292.317 3.729 30 20 CHED C#CCCN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 760292033 NOOMJLURKPMTMY-SFHVURJKSA-N 283.346 3.537 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1Cl)c1cncc(F)c1 761481067 VKQVMWUUMVXNIB-IWQZZHSRSA-N 297.116 3.819 30 20 CHED C#CCCCCCc1nc(-c2ccnc(OC(C)C)c2)no1 761815302 MXFYOEHSNBJFMA-UHFFFAOYSA-N 299.374 3.655 30 20 CHED C#CCOc1ccc(F)cc1NCc1sccc1OC 765248541 FMISHGCUQCRQIF-UHFFFAOYSA-N 291.347 3.520 30 20 CHED C#CCCCOc1ccccc1N1CCC[C@@H](C)C1 766742001 ODEAANAUQZMWDZ-OAHLLOKOSA-N 257.377 3.715 30 20 CHED C=C(CC)COC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 766784867 UCYQWAINIRWWJF-QWRGUYRKSA-N 284.277 3.717 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2cncc(C)c2)c1 767365317 ANKVDRPYQWQCBM-SNAWJCMRSA-N 251.329 3.903 30 20 CHED CC(CSC(C)(C)C)=NNc1cc(C#N)cc(Cl)n1 768372448 AGIJQUJTMMOKAS-UHFFFAOYSA-N 296.827 3.926 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCC(C)(C)C2)cc1 768661771 KRCXLBBFRPIFDG-DZGCQCFKSA-N 272.392 3.646 30 20 CHED CC1(C)C[C@@H](/N=C\c2ccc(O)c(O)c2O)c2ccccc21 769775385 WKGJAJPSJGKPQG-SAGYFLTASA-N 297.354 3.645 30 20 CHED COc1ccc(/C=C\C(=O)c2occc2C)cc1C 769783246 AZGUBVZZYZTVAC-XQRVVYSFSA-N 256.301 3.801 30 20 CHED Cc1ccc(F)c(C=NNc2ccc(F)c([N+](=O)[O-])c2)c1 769830072 WPZOHFVCLLGWOT-UHFFFAOYSA-N 291.257 3.627 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc(F)cn1 770591826 PPPDADURJLEMCW-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1ccc(F)cn1 770606613 ZZEPAMTWEUFHKE-UHFFFAOYSA-N 271.339 3.982 30 20 CHED Cc1cc(C)cc(CCC(=O)N(CCC#N)CC(C)C)c1 771345764 RNLGOEYQEWGNMF-UHFFFAOYSA-N 286.419 3.634 30 20 CHED C#CC[C@H](N[C@@H]1CCc2ccccc2C1)c1ccccc1 773118092 YMQBTUDOHRDNCZ-UXHICEINSA-N 275.395 3.898 30 20 CHED COC(=O)c1coc(/C=C2\C[C@H](C)c3ccccc3C2=O)c1 774134587 DJSHOUWZZPBNBK-SERMCNLOSA-N 296.322 3.840 30 20 CHED N#CCc1ccc(COC(=O)/C=C/c2ccsc2)cc1 776114235 NCLYUVSNCOOEIT-AATRIKPKSA-N 283.352 3.571 30 20 CHED Cc1cc(C)c2cc(C(=O)OCCC(C)(C)C#N)[nH]c2c1 776372155 ZACJRKPBFMCDLD-UHFFFAOYSA-N 284.359 3.881 30 20 CHED Cc1nc(Cl)ccc1C(=O)O[C@H](C#N)C1CCCCC1 776397392 XORKXFJUGTXSBW-CYBMUJFWSA-N 292.766 3.673 30 20 CHED CC(=NOC1CCCCC1)c1ccc(C(C)(C)O)cc1 777459271 PCXCEPUYDURJIZ-UHFFFAOYSA-N 275.392 3.987 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(N(C)C)cc1 777906110 DXVOSXBBPVBELK-UHFFFAOYSA-N 288.782 3.637 30 20 CHED Cc1ccc([C@H]2CCCC2=NN=c2cc[nH]cc2)cc1 779810714 IJVPSJWWXQIRTD-MRXNPFEDSA-N 265.360 3.548 30 20 CHED C#CCCCCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 780380815 HCMHKHANJSPPID-CQSZACIVSA-N 293.370 3.631 30 20 CHED COc1ccc(NN=C(C)[C@@H](OC)c2ccccc2)cc1 782253974 KOKYLTFBFLDDFE-QGZVFWFLSA-N 284.359 3.871 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@H](SC)C(C)(C)C)c1 783682518 WNKZAMAAZNLZKJ-ADFUCPMPSA-N 295.448 3.988 30 20 CHED Cc1ccc([C@@H](C)C(=O)OCc2ccc(C#N)c(C)c2)o1 783941140 UZFHNBWDQPGUPR-CYBMUJFWSA-N 283.327 3.615 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)OCCCC(C)(C)C#N)C1 784117808 NZWXVSZOQRFBGS-CHWSQXEVSA-N 251.370 3.686 30 20 CHED CC[C@H](OC(=O)CC(C)(C)C#N)c1ccc(C)cc1 784531989 VABPOJQJCNJGAW-AWEZNQCLSA-N 259.349 3.929 30 20 CHED C[C@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 784677352 SQGXYMUSYVTLQB-ZDUSSCGKSA-N 259.349 3.663 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)Cc1ccccc1Cl 785522858 CLCWRRZHVOFGMW-LRDDRELGSA-N 279.811 3.990 30 20 CHED N#Cc1ccc(C(=O)OCc2sccc2Cl)cc1 785900332 INXGCVQNOKCMCX-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CCc2c(Cl)cccc21 786404748 FDPWUQACAHOMMC-CYBMUJFWSA-N 277.751 3.810 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1cncs1 787172745 OSRATMKFYKAVCC-XQRVVYSFSA-N 266.325 3.587 30 20 CHED C#CCC1(C(=O)Nc2cccc(C)c2O)CCCCC1 788519753 DCICZRMAYYXMCD-UHFFFAOYSA-N 271.360 3.613 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc3ccccc23)n(C)n1 789159932 RSGPVMOAJBRIIE-KHPPLWFESA-N 276.339 3.778 30 20 CHED C#CCC(C)(C)C(=O)NC1CCC(CC)(CC)CC1 789696343 ZHGQWHSIRUJRIE-UHFFFAOYSA-N 263.425 3.901 30 20 CHED C=C(C)CS(=O)(=O)Oc1ccc(-c2ccccc2)cc1 790007290 JDHUHPGDSVKSKR-UHFFFAOYSA-N 288.368 3.638 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@H](c1ccccc1)C(C)C 791204827 JUBDVBJBNGIJTD-SJORKVTESA-N 271.404 3.734 30 20 CHED CC1(C)CCC[C@H]1C(=O)[C@H](C#N)c1cnc2ccccc2n1 792099411 AEUZWIOFYNGCMI-OLZOCXBDSA-N 293.370 3.632 30 20 CHED Cc1ccc(NN=C[C@@H](OC(C)C)c2ccccc2)nc1 793005661 YCLVMYYSAMJQMP-MRXNPFEDSA-N 283.375 3.954 30 20 CHED C[C@@]1(C=NNCc2cccc(Cl)c2)CCCS1 793023966 BKAVPMNUGGUKJS-ZDUSSCGKSA-N 268.813 3.701 30 20 CHED C[C@@H](NN=Cc1cn(C)c2ccccc12)C(C)(C)C 793110949 DDGAYFPFKRAJLB-GFCCVEGCSA-N 257.381 3.536 30 20 CHED CSCCON=C(C)c1ccc2cc(O)ccc2c1 794572246 MSKVTEKOMSTGAN-UHFFFAOYSA-N 275.373 3.649 30 20 CHED C[C@@H]1CSC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1O 794676270 KUSSKBMVKLJZGY-ZYFUPFLOSA-N 290.215 3.869 30 20 CHED O=C(O)c1ccccc1NN=C1CCC[C@@H]1c1ccccn1 794887182 HDSRHMSBLXZXLI-GFCCVEGCSA-N 295.342 3.515 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1ccc(F)cc1F 794934711 UPDNHWNKVQJWPZ-HYXAFXHYSA-N 296.219 3.845 30 20 CHED Fc1cccnc1NN=Cc1ccc(OC(F)(F)F)cc1 794989935 GOQVQPHLVZNOLJ-UHFFFAOYSA-N 299.227 3.565 30 20 CHED Fc1cccnc1NN=C(CC1CC1)c1ccccc1 794993197 JBGIPUUDYPOWLF-UHFFFAOYSA-N 269.323 3.837 30 20 CHED C[C@@H](C#N)OCCOc1ccc(SC(F)(F)F)cc1 795247673 VXVRFDQWVSMQQW-VIFPVBQESA-N 291.294 3.606 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 797123698 GWTXXNIITRBUNR-XPTSAGLGSA-N 267.275 3.509 30 20 CHED CC[C@H](C)c1ccc(C(=O)NCC2(CC#N)CC2)cc1 797566064 VIEKEEYZAMAIDP-ZDUSSCGKSA-N 270.376 3.624 30 20 CHED C/C=C(/C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572191 UVVGQAQMOCPUDU-ABRRARGCSA-N 262.378 3.583 30 20 CHED Cc1nc(-c2ccc(C(=O)O[C@H](C#N)C3CC3)cc2)cs1 799614902 VGXKGUOAAFIOGV-OAHLLOKOSA-N 298.367 3.578 30 20 CHED COc1cccc(/C=C2/Cc3c(F)cccc3C2=O)c1F 799891712 BRLXLJCDNWNOJK-FLIBITNWSA-N 286.277 3.796 30 20 CHED CCCC[C@H](C)C(=O)OCc1cc(C#N)ccc1F 799960052 OGUZSALXRMUNRN-NSHDSACASA-N 263.312 3.567 30 20 CHED C#CCCCCC(=O)OCc1ccc(Cl)nc1Cl 800193747 WAZAODFXJPBWDP-UHFFFAOYSA-N 286.158 3.625 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@@H](c2cccnc2)C1 800231507 BEHDVTLZNRPIFT-TZMCWYRMSA-N 295.224 3.606 30 20 CHED C#CCCCC(=O)Nc1ccc2c(Cl)cccc2n1 804250758 ROFSMVKJAKYDRR-UHFFFAOYSA-N 272.735 3.630 30 20 CHED Cc1ccc(C#N)c(Nc2cc(Cl)c(N)c(Cl)c2)n1 804328494 LBKRDECXKGLXGF-UHFFFAOYSA-N 293.157 3.894 30 20 CHED C#C[C@H](Nc1nc(C)ccc1C#N)c1ccc(Cl)cc1F 804807680 JBWFQWBSMYFTEX-HNNXBMFYSA-N 299.736 3.841 30 20 CHED C=CCCCCCCNCC1(CC)CCOCC1 808419041 LFESDIZDTXILKL-UHFFFAOYSA-N 253.430 3.919 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C=C2CCCCC2)cc1 809256965 FVGQVMDBMQFIPF-KRWDZBQOSA-N 282.387 3.820 30 20 CHED C=CCCCCCOC(=O)[C@@H](O)c1ccc(Cl)cc1 811279692 URCUAWNEONLNRI-AWEZNQCLSA-N 282.767 3.663 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(OC)c(O)c2)c1 811696684 GQLYWAUYSSEZGO-CLFYSBASSA-N 298.338 3.696 30 20 CHED N#Cc1c(F)cccc1/C=C1/Oc2cccc(Cl)c2C1=O 811697785 GCQILUBTCZKKQI-VGOFMYFVSA-N 299.688 3.967 30 20 CHED C#C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 811947135 UEMBNLXQNFSHOX-OAHLLOKOSA-N 287.721 3.583 30 20 CHED CCOC(=O)c1ccc(NN=CC(C)(C)C)cc1C 812228201 GRUBCDGZIXOWNS-UHFFFAOYSA-N 262.353 3.616 30 20 CHED CC(C)OCCON=Cc1c(Cl)cccc1Cl 812240758 QZMNHUPRKJFOFK-UHFFFAOYSA-N 276.163 3.769 30 20 CHED C=CCC(CC=C)C(=O)OCc1oc(CCC)nc1C 814074908 QPSTXUIXZDXPSY-UHFFFAOYSA-N 277.364 3.747 30 20 CHED CC(C)OC1CC(=NNc2nc3ccccc3s2)C1 814685924 YKMLSODSAGGOJV-UHFFFAOYSA-N 275.377 3.652 30 20 CHED CCCCCC[C@H](C)NN=C(C)C1CCN(C)CC1 814859659 ZNFRZQYBQRUSHI-AWEZNQCLSA-N 267.461 3.653 30 20 CHED CC(=NN[C@@H](CO)c1ccccc1)c1cccc(C2CC2)c1 814920001 WXTXRLLIYKOVKE-IBGZPJMESA-N 294.398 3.611 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)CCc1ccccc1 815311211 BUFHNLYUPCZHHP-GFCCVEGCSA-N 268.303 3.762 30 20 CHED C=CCCCOC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 815405980 QBQWQTFDFYEEOK-UHFFFAOYSA-N 283.711 3.680 30 20 CHED C#CC[C@H](OC(=O)c1nsc2ccc(C)cc12)C1CC1 815975855 TWQVQGHAYGHPJI-ZDUSSCGKSA-N 285.368 3.563 30 20 CHED C=CCC(F)(F)C(=O)OCc1cnc2c(F)cccc2c1 816085142 VTDLZISVHOQENF-UHFFFAOYSA-N 295.260 3.629 30 20 CHED Cc1ccc(COC(=O)c2ccccc2SCC#N)o1 816432817 MXBRQSDGHODZFI-UHFFFAOYSA-N 287.340 3.561 30 20 CHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1O 818355100 CBICDSZATFJABV-WDMOLILDSA-N 278.783 3.779 30 20 CHED C#CCCCC(=O)N(CCCC)[C@@H](C)CCCC 818923559 CKQCYQINDKBRSR-HNNXBMFYSA-N 251.414 3.997 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C=CCC1 821092032 ILAONEHSYTXXDV-LLVKDONJSA-N 296.823 3.818 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccccc1)C(C)(C)C 822654095 DFCYYCJCYLKXNA-MRXNPFEDSA-N 257.377 3.549 30 20 CHED CC(C)(C#N)CCCNc1cc(Cl)cc(C(=O)O)c1 826071530 MLYXDMRHYXYOKE-UHFFFAOYSA-N 280.755 3.780 30 20 CHED C=CC[C@H](NC(=O)C1CCC2(CC1)CC2)c1ccncc1 827862341 BWDIXCFLHSOQPY-INIZCTEOSA-N 284.403 3.785 30 20 CHED CCC(=NNc1ccccc1CC)c1ccncc1 834942010 VPGLLBGEMBJKQZ-UHFFFAOYSA-N 253.349 3.870 30 20 CHED CC(C)ON=Cc1cnc(-c2cccs2)s1 835000999 TZFMKJDDUIXVDE-UHFFFAOYSA-N 252.364 3.631 30 20 CHED C[C@@H](C#N)COC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 835238847 SBJAMEGSHDVEOF-NUEKZKHPSA-N 271.360 3.663 30 20 CHED C=CCC[C@@H](OC(=O)[C@@H]1CC12CCSCC2)C1CC1 835243528 OBZPMHSJJJJQSY-UONOGXRCSA-N 280.433 3.808 30 20 CHED C=CCC1(C(=O)OCCCc2cc(CC)no2)CCCC1 835405711 ASRJYSGMKUGYEZ-UHFFFAOYSA-N 291.391 3.849 30 20 CHED C#CCSCCOC(=O)c1cc(Cl)sc1Cl 835441727 QNBZYDSSYKAKQR-UHFFFAOYSA-N 295.212 3.578 30 20 CHED COc1ccccc1CON=Cc1ccccc1Cl 836285206 BCEBHXWTVRLFMM-UHFFFAOYSA-N 275.735 3.899 30 20 CHED CC(C)(C)SCCCC(=O)O[C@@H]1CCC[C@H](C#N)C1 839054877 MFAJVIBZQGNMCH-QWHCGFSZSA-N 283.437 3.924 30 20 CHED C=CCN(C(=O)c1ccc(C(C)C)nc1C)C(C)C 839244263 DMVRNYJPSRYCIU-UHFFFAOYSA-N 260.381 3.550 30 20 CHED CC(C)(CNc1nc2ccccc2cc1C#N)OCC1CC1 840370040 VAAPEGAFDCJBBQ-UHFFFAOYSA-N 295.386 3.724 30 20 CHED C#C[C@H](OC(=O)c1ccn(C2CCCC2)n1)c1ccccc1 842364760 HHHOFCYGVPLEFB-KRWDZBQOSA-N 294.354 3.530 30 20 CHED C[C@@H](CSc1ccccc1)N(C)C(=O)C#CC(C)(C)C 846320826 OLUVMFBYEXUEJS-AWEZNQCLSA-N 289.444 3.675 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)c1cccc(C2CC2)c1 846971381 VHAVARSCFRPPKH-UHFFFAOYSA-N 295.304 3.592 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC(C)(C)C1 851204953 BESBXVCFMPORAV-VXGBXAGGSA-N 251.370 3.684 30 20 CHED CC[C@@H]1CCCC[C@@H]1OCC(=O)O[C@@H](C)CC(C)(C)C#N 851205427 FSBZEUIIUPNFTG-ZNMIVQPWSA-N 295.423 3.843 30 20 CHED CCc1ccsc1C(=O)O[C@@H](C)CC(C)(C)C#N 851209371 FGRPVCCWRDMAHJ-JTQLQIEISA-N 265.378 3.796 30 20 CHED C=CC(C)(C)CCOC(=O)/C=C\c1scnc1C 851300590 WRFOXYJOGCDPJQ-SREVYHEPSA-N 265.378 3.610 30 20 CHED C#C[C@@](C)(CC)NCc1coc(-c2ccc(OCC)cc2)n1 852101149 MXIJFIGLDSZQTP-SFHVURJKSA-N 298.386 3.632 30 20 CHED C(=NNC1CCOCC1)c1ccc(-c2cccs2)cc1 853319600 ZBUKNDPHAUFUHY-UHFFFAOYSA-N 286.400 3.518 30 20 CHED COc1cc(C=NN2CCCC[C@H]2C)ccc1OC(F)F 853380442 WAIQVSNYVIRZQO-LLVKDONJSA-N 298.333 3.505 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)CON=CC2CC2)cc1 853736710 LHAZUQUELYNYDY-GFCCVEGCSA-N 274.364 3.551 30 20 CHED CCCC[C@](C)(F)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 857601685 QQSYQRMASCDJGD-HIFRSBDPSA-N 296.773 3.939 30 20 CHED C=C(CC)CNC(=O)/C=C\c1ccc(SC)s1 861932985 BWORMQAQHLEXHC-ALCCZGGFSA-N 267.419 3.566 30 20 CHED Cc1cccc(NN=C2CS[C@@H](C(C)(C)C)C2)n1 863160390 BXYAHVWIIRZBPM-GFCCVEGCSA-N 263.410 3.710 30 20 CHED C/C(=C\C1CCC(C)CC1)C(=O)N1CCC(C)(C#N)CC1 867289615 DMFYBPKMTXLAMM-NTCAYCPXSA-N 288.435 3.911 30 20 CHED C[C@H](c1cccc(C#N)c1)N1C[C@H]2CC=CC[C@H]2C1 879529996 IQYXCHIGRHZXNV-XYPHTWIQSA-N 252.361 3.517 30 20 CHED CC(=NNc1ccc(Cl)cc1F)C1CCN(C)CC1 901317730 NHXPDFBXDSNTSP-UHFFFAOYSA-N 283.778 3.609 30 20 CHED CC(=NNc1ccc(F)cc1Cl)C1CCOCC1 901319897 HXUZXKXHPXCWCY-UHFFFAOYSA-N 270.735 3.694 30 20 CHED CCSc1cccc(/C=C2\C(=O)c3nccn3[C@H]2C)c1 901564113 FAQCDXCATAYRCC-HKLRHMNMSA-N 284.384 3.836 30 20 CHED C[C@@H](COCc1ccccc1)CSCCO[C@@H](C)C#N 902387568 QFPKIAAKCMPYBN-GJZGRUSLSA-N 293.432 3.501 30 20 CHED CC[C@@H](NC[C@H]1CCCSC1)c1cccc(C#N)c1 902990191 SUPFTNRFCWXMRD-GDBMZVCRSA-N 274.433 3.742 30 20 CHED CC[C@H](NCc1cc(C)nc(C)c1)c1cccc(C#N)c1 903022348 ICZSRJQCVSHPQF-SFHVURJKSA-N 279.387 3.811 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(Br)c(F)c1 903100234 LAMVHKQBTAICCQ-SECBINFHSA-N 299.187 3.789 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(Cl)c(C)c1 905512744 HVVNZTPAZBGJAF-GFCCVEGCSA-N 266.772 3.863 30 20 CHED C=C(Cl)COC(=O)C1(c2cccc(Cl)c2)CC1 913392309 OFYPSNGRUQRFAD-UHFFFAOYSA-N 271.143 3.667 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)c(C)c1 915106952 XVJFSWMCLKUIEG-KTKRTIGZSA-N 294.350 3.827 30 20 CHED COc1cc(C=NNc2ccccc2)cc(Cl)c1O 916247143 DBCKGPJVHXJVIV-UHFFFAOYSA-N 276.723 3.500 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(N(C)C)cc1 916256264 SWTNBHTXFGZIBM-UHFFFAOYSA-N 267.376 3.897 30 20 CHED CSc1cccc(NC(=O)Nc2sccc2C#N)c1 916973820 ZAWAQXTXRBKGOV-UHFFFAOYSA-N 289.385 3.986 30 20 CHED CC(C)Oc1ccccc1C/N=C\c1cccc(O)c1O 917557656 FIKWVJWGTFRAKV-WQRHYEAKSA-N 285.343 3.504 30 20 CHED CCCCCCCOC(=O)c1cc(=O)c2ccccc2o1 918494496 WGLLEGJUDHBPFD-UHFFFAOYSA-N 288.343 3.920 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CCCCN1C(=O)CC 919478847 YCXGCFRAINZFLX-HNNXBMFYSA-N 297.439 3.681 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CSCc2ccccc21 924847612 HGAIYNUTKQZUGX-IUODEOHRSA-N 274.433 3.892 30 20 CHED C[C@@H](Cc1ccccn1)Nc1cccc(OCCCC#N)c1 925753534 BRFXPXXSQNKDAL-HNNXBMFYSA-N 295.386 3.807 30 20 CHED C[C@H](CC(C)(C)C#N)NCCC[C@@H]1CC1(Cl)Cl 926657118 MIQDBNMCESBSJB-GHMZBOCLSA-N 277.239 3.878 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 1116131839 IZZASDFROHULLQ-VZUCSPMQSA-N 293.322 3.980 30 20 CHED C#CCC1(C(=O)Nc2cc(F)cc(OC)c2)CCCCC1 1116751932 ZTQJWILJCMFRNX-UHFFFAOYSA-N 289.350 3.747 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)o1 1118371164 SYNKULVWXGVYEX-GFCCVEGCSA-N 281.359 3.945 30 20 CHED Cc1c(C#N)cccc1C(=O)OC1CCC(F)(F)CC1 1119279232 GTAUDPUCZJWPMY-UHFFFAOYSA-N 279.286 3.601 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1C 1120733256 JSROXSMBWVBNPE-CQSZACIVSA-N 289.423 3.517 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H]2CCNc3ccccc32)C1 1122062257 LALJJUXOKNQQOQ-JKSUJKDBSA-N 298.430 3.791 30 20 CHED CCCN(CC)c1nnc([C@@H](C)CCC#N)n1CC(C)C 1122684222 ACHCWNOOQMSACW-AWEZNQCLSA-N 291.443 3.578 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CC[C@H](C)OC)c1cccs1 1123107149 RYWFIXGGBJVPGB-ZOWXZIJZSA-N 295.404 3.697 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CCc1ccsc1 1130934118 DKLAPESIPSQGKH-UHFFFAOYSA-N 290.775 3.844 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2CC(C)C)cc1 1136505670 PFFWOYPQVYDTDR-NVXWUHKLSA-N 284.403 3.924 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1ncc(C)s1)C1CC1 1262017403 YTRMKZXJQOYJQF-CYBMUJFWSA-N 278.421 3.621 30 20 CHED N#Cc1ccc(C(=O)NCC2CCCCCCC2)c(F)c1 1264719982 WDKDLLYIDLSEJC-UHFFFAOYSA-N 288.366 3.788 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1-c1cccs1 1290619198 MTEFDOONDOWYGE-NSHDSACASA-N 270.357 3.903 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)c1ccccc1CC#N 1304564770 IFAHLAMMPQBZTR-UHFFFAOYSA-N 298.773 3.645 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCC1(C)C 1310382015 FVGPLKOEKJRFQF-CQSZACIVSA-N 285.391 3.815 30 20 CHED CCN(CCc1ccccc1)C(=O)CC#Cc1ccccc1 1319204378 UHBJNQVSOVIAGC-UHFFFAOYSA-N 291.394 3.519 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)CC(C1CC1)C1CC1 1320191168 MAXHIEJCSOIAOJ-GFCCVEGCSA-N 298.386 3.742 30 20 CHED C=CCN(C)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1320753709 YODJAVBNWALHQZ-UHFFFAOYSA-N 271.404 3.660 30 20 CHED CC(C)(C#N)CC(=O)Nc1nc2ccccc2n1C(C)(C)C 1320900433 OKOOCIJEKVEZAT-UHFFFAOYSA-N 298.390 3.670 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC)c1ccc(F)cc1 1323776695 FLKQAZQBVWAJGH-HNNXBMFYSA-N 276.355 3.660 30 20 CHED COc1c(OC(=O)CC(C)(C)C#N)ccc2ccccc12 1325045855 GJQIXYIUFZPMQI-UHFFFAOYSA-N 283.327 3.694 30 20 CHED CC(C)(C)c1ncc(/C=C/c2cc(C#N)ccn2)s1 1325103756 FVONZRSCQXGNBL-SNAWJCMRSA-N 269.373 3.878 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(Br)c(C)cc1C 1326735872 LKGFSVSUUVKMLB-JTQLQIEISA-N 296.164 3.525 30 20 CHED C[C@H]1CCCC[C@@H]1OCc1nnc(-c2ccc(C#N)cc2)o1 1328348199 NQLDXIHWUCPDHQ-WFASDCNBSA-N 297.358 3.704 30 20 CHED CN(CC1CCC1)C(=O)c1c(Cl)cc(C#N)cc1Cl 1335997855 VTUXKUMZKZBINO-UHFFFAOYSA-N 297.185 3.737 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1OC(F)(F)F 1336883173 IIEAHRRTTYTLFN-UHFFFAOYSA-N 273.254 3.880 30 20 CHED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1 1337413969 PFSXVNCONWPTJH-CYBMUJFWSA-N 288.366 3.867 30 20 CHED Cc1ccc(-c2nc(C=NOC(C)(C)C)co2)cc1 1341308598 NHEGGRJSHGVFNE-UHFFFAOYSA-N 258.321 3.799 30 20 CHED Cc1cc(C=NNc2cc(Cl)ccc2Cl)ncn1 1343846994 MBKNYWSAMNIBIK-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CCCCCCCC(=O)[C@H](C#N)c1ncc(Cl)n1C 1344862947 CIUCTWYCNXNKQV-NSHDSACASA-N 281.787 3.610 30 20 CHED C=CCC(C)(C)C(=O)OCCC(F)(F)C(F)(F)F 1347274353 OQPDKBVSEBVXMU-UHFFFAOYSA-N 274.229 3.720 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](c1ccccc1)C(C)(C)C 1347407011 BFLOSFDNRWGMCX-QGZVFWFLSA-N 298.430 3.829 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1c(C)cccc1C 1347820861 IGBWFNGEPVKYRA-HNNXBMFYSA-N 257.377 3.933 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2csc(C#N)c2)C1 1348314636 RNULIQSUEMZDPE-NSHDSACASA-N 276.405 3.518 30 20 CHED C=C[C@@H](C(=O)N[C@H]1CCCC(F)(F)C1)c1ccccc1 1349329929 KFRQRYHRIBBACT-UONOGXRCSA-N 279.330 3.650 30 20 CHED CC1(C)Cc2cc(C(=O)Nc3ccccc3C#N)ccc2O1 1350618164 BLJKACDQKWMIFU-UHFFFAOYSA-N 292.338 3.524 30 20 CHED CC(C)Cc1ccc(C(=O)NCc2ccc(C#N)cc2)s1 1435240149 HCUIJVHTYDGDKX-UHFFFAOYSA-N 298.411 3.748 30 20 CHED COc1ccc(C#N)cc1N[C@H]1C[C@@H](OC(C)C)C1(C)C 1462071412 PEUZCKKKQQIZNX-JKSUJKDBSA-N 288.391 3.571 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccccc1 1467712065 CTEBGNSQQBHKBE-FRFSOERESA-N 286.419 3.824 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)Nc1sccc1C#N 1476828719 AEEBLOORJLDDQH-UHFFFAOYSA-N 283.356 3.523 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CCC[C@@H](C)C1 1524214567 ACNSSVUUBWSZRM-OLZOCXBDSA-N 294.468 3.515 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(Cl)cc2C#N)c1 1532005722 RKDRJBJXRDHPGW-UHFFFAOYSA-N 295.729 3.530 30 20 CHED Cc1cccc([C@H](C)NC[C@@H](O)c2cccc(C#N)c2)c1C 1559705091 GVIQKEXCRHDKTF-HNAYVOBHSA-N 294.398 3.559 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](SC)C1 1560744322 KIQPGLYBVAEHSO-CHWSQXEVSA-N 276.405 3.653 30 20 CHED C#CCCCCCCNC1(C(=O)O)CCC(CC)CC1 1573301792 KAUATIGMDNPMDA-UHFFFAOYSA-N 279.424 3.583 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)O)C2 1573365224 DOJPRRYPVIOGDZ-KLHDSHLOSA-N 294.439 3.632 30 20 CHED CC1(C)COc2ccc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)cc21 1584703616 VLUMXLSZEHHAOM-OCCSQVGLSA-N 299.370 3.596 30 20 CHED C#CCCCCC(=O)Nc1cc(C(=O)O)c2ccccc2c1 1588440952 ZXEXFESYXICFHK-UHFFFAOYSA-N 295.338 3.670 30 20 CHED CCCC[C@@H](CCC)Nc1c(C#N)cccc1-c1nn[nH]n1 1604163720 SOIWRXJKEDZKGO-CYBMUJFWSA-N 298.394 3.509 30 20 CHED N#Cc1nc(Oc2cccc3c2OCCC3)sc1Cl 1640079902 SSAXSRHUCKQYAI-UHFFFAOYSA-N 292.747 3.785 30 20 CHED C[C@H](C#N)OCCN1CCCc2c(Cl)cc(Cl)cc21 1658910304 UPYLWNOXBJSYDF-SNVBAGLBSA-N 299.201 3.675 30 20 CHED Cc1csc(NC(=O)N2CCc3ccccc32)c1C#N 1661563822 KISLNZKUAQWNPL-UHFFFAOYSA-N 283.356 3.523 30 20 CHED Cc1cccc(C(C)(C)NC(=O)Nc2sccc2C#N)c1 1663159384 KEPZBBRPXSQRGP-UHFFFAOYSA-N 299.399 3.985 30 20 CHED CCCC[C@H](CC)CNC(=O)Nc1cc(C)c(C#N)cn1 1663849554 KHIDEWMOCBITGI-ZDUSSCGKSA-N 288.395 3.600 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2sccc2C)c1 1672775059 DEHLUYMMYBNGIW-UHFFFAOYSA-N 285.372 3.558 30 20 CHED CC[C@@H](NN=C(CC(C)C)c1ccc(Cl)cc1)C(=O)O 1776065828 KUPJLGQVXXJMHD-CYBMUJFWSA-N 296.798 3.543 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2ccc(Cl)s2)C1 1776155507 SXHFHTHKPHTENN-AWEZNQCLSA-N 299.823 3.644 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2ccc(C)c(C)c2)C1 1776159792 HDFJLZYZZNNCFL-SFHVURJKSA-N 287.403 3.546 30 20 CHED C[C@@H](SC1CCCCC1)C(=O)Nc1ccccc1C#N 7602996 FXSMRSMWGVCNMW-GFCCVEGCSA-N 288.416 3.951 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2cccc(C#N)c2)o1 16433545 ZHQREFZWTPESSB-GUYCJALGSA-N 280.371 3.907 30 20 CHED CCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 35053460 UIZODYUGVXKPON-CQSZACIVSA-N 280.371 3.808 30 20 CHED N#Cc1ccc(NCc2ccccc2Cl)c(F)c1 37507389 AQLNJNCWBYSIFU-UHFFFAOYSA-N 260.699 3.963 30 20 CHED COC(=O)c1ccccc1SCc1ccc(C#N)cc1 42136688 KXCTZNORHKSDQM-UHFFFAOYSA-N 283.352 3.637 30 20 CHED Cc1ccc(F)c(NC(=O)N(C)Cc2cccc(C#N)c2)c1 43350641 AMUVIXOYNLBMDR-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CC[C@@H](C#N)Sc1ccccc1Br 43557634 HCCNCEUFCOYEAA-QMMMGPOBSA-N 256.168 3.843 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc(C#N)c1 43748010 HKZSHFROBLHDAR-LBPRGKRZSA-N 282.318 3.531 30 20 CHED N#Cc1cccc(COc2ccc3c(c2)CCCC3=O)c1 44745893 QNDNWBBHMYWEIC-UHFFFAOYSA-N 277.323 3.656 30 20 CHED N#Cc1cc(Cl)ccc1NCc1ccc(C(=O)O)cc1 52856098 IGTJORKROCYBMF-UHFFFAOYSA-N 286.718 3.522 30 20 CHED C=CCN(CC=C)Cc1ccc(OC(F)(F)F)cc1 58918895 XNTJSWXEFPYULM-UHFFFAOYSA-N 271.282 3.759 30 20 CHED C=C(C)CN(CC)C(=O)COc1ccc(C(C)C)c(C)c1 58969577 YQTTWEPKYGJJPH-UHFFFAOYSA-N 289.419 3.922 30 20 CHED C[C@H]1CCCC[C@@H]1Nc1c(F)cc(C#N)cc1F 60196981 MYPVPCNTFHFSJE-ZANVPECISA-N 250.292 3.827 30 20 CHED Cc1ccccc1CCNc1cccc(F)c1C#N 60991695 KMUYHVJIVJTQMJ-UHFFFAOYSA-N 254.308 3.660 30 20 CHED C[C@H](C#N)CN(C)[C@@H](C)c1ccc(F)c(Cl)c1 66470504 XDNCMPVLSXSCKH-ZJUUUORDSA-N 254.736 3.632 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(C)c2)ccc1O 68762087 PDFLHFXQZPYIEX-SOFGYWHQSA-N 268.312 3.605 30 20 CHED COc1ccccc1[C@H]1CCCN1CCCCC#N 69084402 YLSXACPOQUYGMG-OAHLLOKOSA-N 258.365 3.526 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(O[C@H](C)CC)c1 69359437 MBKHFUKYNGRIFC-ZIAGYGMSSA-N 291.391 3.784 30 20 CHED N/C(=N/CC1(Sc2ccccc2)CC1)Nc1ccccc1 69673576 ZSLGTCQNMFTLIV-UHFFFAOYSA-N 297.427 3.738 30 20 CHED N#CCSCCCN1CCCCC[C@@H]1c1ccco1 74991179 YCRKZIOPLGEFDQ-CQSZACIVSA-N 278.421 3.844 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C/c2csnn2)cc1 77564270 TZIMPPPOERFSFQ-VMPITWQZSA-N 290.413 3.935 30 20 CHED Cc1ccc(CNCc2ccc(C#N)cc2F)cc1C 83510144 INGWJXJNNYNTTD-UHFFFAOYSA-N 268.335 3.604 30 20 CHED CCO[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)C12CCCC2 85678096 YBMQMESPVHQGFQ-HZPDHXFCSA-N 270.376 3.708 30 20 CHED N#CCCn1ccc(N[C@H]2CCCCc3ccccc32)n1 86154974 DYCFJUSXBFXIAD-INIZCTEOSA-N 280.375 3.676 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1cccc(SC(F)F)c1 86285533 JHRGHFWVEWGZDE-VIFPVBQESA-N 299.346 3.767 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2cc(F)cc(F)c2)cn1 88305074 HORPNXMGXVVWBG-ONEGZZNKSA-N 276.286 3.638 30 20 CHED C=CCCOCCN[C@@H](C)c1cc2ccccc2o1 90883782 GPQDBSQTMXMLJB-ZDUSSCGKSA-N 259.349 3.676 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCCCC(F)(F)F 97987363 AWIZAUKFSLTCKN-UHFFFAOYSA-N 297.202 3.726 30 20 CHED O=C(/C=C\c1csnn1)c1ccc(Cl)c(Cl)c1 104300810 OSSYHAQCTJRNDR-RQOWECAXSA-N 285.155 3.741 30 20 CHED CC[C@H](/N=C/c1cccc(OC)c1O)c1nc(C)cs1 105356611 BAMYQKIZVPVSGI-WIJRQFRKSA-N 290.388 3.736 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Sc1ccccc1Cl 116851963 YRYRUYXSRMUNLV-GHMZBOCLSA-N 283.824 3.901 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)OC2CCCCCC2)c1 119544966 RLRJEBBMWSGICT-AWEZNQCLSA-N 285.387 3.734 30 20 CHED C#CCCCCC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 120163077 WAIOJJIRODVVAA-UHFFFAOYSA-N 294.738 3.689 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)c1ccc(OC)cc1 120228413 YCVVQBCFVHBIKM-SFHVURJKSA-N 298.361 3.947 30 20 CHED C=C[C@H](CC(=O)Nc1cc([C@H]2C[C@H]2C)n[nH]1)c1ccccc1 120420413 PDMSFACTOXVFMW-NFAWXSAZSA-N 295.386 3.832 30 20 CHED COc1cc(C#N)ccc1CN(C1CC1)[C@@H](C)c1ccco1 121493762 LBIAKXHDDZBPDI-ZDUSSCGKSA-N 296.370 3.885 30 20 CHED Cc1ccc(-c2nnco2)cc1NCc1ccc(C#N)cc1 121912563 AYVUZFIPHWIGTC-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccccc1Cl 123235668 SKFOAXOYNWYLSE-CZUORRHYSA-N 279.811 3.804 30 20 CHED C=C[C@H](CC(=O)Nc1ccnn1CCCC)c1ccccc1 123427199 DACDXKMNNZKYCX-OAHLLOKOSA-N 297.402 3.982 30 20 CHED CCN(CC#N)CCCc1cccc2ccccc12 124120046 UXWXVFYXGLEVNT-UHFFFAOYSA-N 252.361 3.618 30 20 CHED N#CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 125751606 KHKMTZMNLNVCQQ-ARFHVFGLSA-N 288.435 3.936 30 20 CHED CCN(Cc1ccc(OC)c(OCCCC#N)c1)C(C)C 126385799 DPTWWAQBYMMGTF-UHFFFAOYSA-N 290.407 3.608 30 20 CHED CCN(CCC#N)C[C@H](C)c1cccc(Br)c1 127671048 CPPVVBSKPBMHPH-LBPRGKRZSA-N 295.224 3.788 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 128323800 AZLHZMQDTVEWEC-RYUDHWBXSA-N 293.769 3.783 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2C)cc1 131547312 BENZZHVNDAOXPH-YXAMBPQSSA-N 298.386 3.503 30 20 CHED COCCCOc1cccc(CNc2cccc(C#N)c2)c1 132869922 GAQKKCDCQBJRPQ-UHFFFAOYSA-N 296.370 3.586 30 20 CHED CCCCCCC[S@@](=O)Cc1noc2c1CCCC2 133373538 TWQXJAZVNDCHQM-IBGZPJMESA-N 283.437 3.773 30 20 CHED N#Cc1ccc(OC(=O)c2cc(F)c(Cl)cc2F)cc1 133690028 FFWLGGRAFFPZLI-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C=CCC[C@H](NC(=O)c1cc[nH]c1C)c1ccccc1 133715704 OHNPLYTUWKQRAQ-INIZCTEOSA-N 268.360 3.760 30 20 CHED C=C(C)COCCNCc1ccc(-c2ccccc2)o1 134509603 LWQHYAPMNANECP-UHFFFAOYSA-N 271.360 3.629 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1ccc(C#N)c(Cl)c1 135335077 ZRMOUZJSARHWAI-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCOc1ccc(NCC(C)(C)CCC#N)cc1OC 135475879 CSEBCCMLOHSTLO-UHFFFAOYSA-N 276.380 3.836 30 20 CHED N#Cc1cc(NC(=O)/C=C/c2cccs2)ccc1Cl 139921924 WTTFUDWTIOENCK-GQCTYLIASA-N 288.759 3.925 30 20 CHED CCCCCCCCC(=O)N[C@H](CC)c1ncc[nH]1 140676241 URORAEKKTDXVDS-CYBMUJFWSA-N 265.401 3.728 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc(CC)o2)CC1 153057865 UBMBHEXUANTUGN-AWEZNQCLSA-N 276.424 3.533 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccccc1F 156583262 QIXWMMHGYOCQID-AATRIKPKSA-N 277.276 3.692 30 20 CHED N#CCN(Cc1ncc(-c2ccc(F)cc2)o1)C1CCCC1 156642462 CBMURIMWKZQCGX-UHFFFAOYSA-N 299.349 3.749 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(Cl)ccc1SC 157284389 NCGNZRNCTZVDNU-SNVBAGLBSA-N 297.811 3.876 30 20 CHED CC(C)n1cnnc1SCC#Cc1cccc(Cl)c1 159060700 JVSVSXPRAMWSTC-UHFFFAOYSA-N 291.807 3.656 30 20 CHED N#Cc1ccc(C(=O)Nc2ncccc2Cl)cc1Cl 159672968 PPMMQWLWBMCAHF-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC(C)CSCCCN[C@@H](C)c1ccc(C#N)cc1 160013121 JAVCEXMFVZCVEN-AWEZNQCLSA-N 276.449 3.988 30 20 CHED Cc1cccc(N(C)Cc2ccc(C#N)cc2C)c1 165470969 FXESIMRSRFHKMW-UHFFFAOYSA-N 250.345 3.812 30 20 CHED CCCCCCCCCC(=O)N1CCCO[C@H](C)C1 171262726 UENHNEWEAAUYKI-OAHLLOKOSA-N 269.429 3.765 30 20 CHED CCN(C(=O)CSc1ccccc1C#N)c1ccccc1 172682348 WBRKSCKYTJMAFV-UHFFFAOYSA-N 296.395 3.703 30 20 CHED C[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccnc1 173882704 GSQFUWPDQCYALA-ZDUSSCGKSA-N 293.370 3.625 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)[C@H](c2ccccc2)CO1 174882198 ODJUFPIJSGRQOB-WBVHZDCISA-N 286.419 3.778 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1ccc(C)cc1F 175355962 TWIPBINLOJZEOP-UHFFFAOYSA-N 299.301 3.624 30 20 CHED CCCCCCCC(=O)N(CC)Cc1ccccn1 177659232 XHDDJWKVZWXZSM-UHFFFAOYSA-N 262.397 3.791 30 20 CHED CC(C)(C#N)c1nc(-c2c(Cl)cccc2Cl)no1 177720745 QZVSKVWRUFXIRH-UHFFFAOYSA-N 282.130 3.845 30 20 CHED CCc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 178257287 HQUZOHWNLKEOQE-CQSZACIVSA-N 290.322 3.880 30 20 CHED CCCCCCCCn1nc(C(F)(F)F)ccc1=O 178871562 KLVDWDVDJAWBQU-UHFFFAOYSA-N 276.302 3.623 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1ccc(F)c(C#N)c1 179597024 XRSRXHTTYJVFJM-HZPDHXFCSA-N 292.423 3.851 30 20 CHED CCOc1ccc(C#N)cc1NCc1cc(C#N)cs1 181418537 LIKMTLVOTLGCHS-UHFFFAOYSA-N 283.356 3.502 30 20 CHED C=C(C)CN(CC)Cc1ncc(Cl)cc1Cl 181991976 YPMRNIAYCCPFPJ-UHFFFAOYSA-N 259.180 3.786 30 20 CHED Cc1ccc(OCCCCN[C@@H]2CCC[C@@H](C#N)C2)cc1 185783575 GLPNFRKUZVNNHV-IAGOWNOFSA-N 286.419 3.826 30 20 CHED Cc1cccc(C(C)(C)CN[C@@H]2CCC[C@@H](C#N)C2)c1 185804235 VMGGVBVGKYTFPM-NVXWUHKLSA-N 270.420 3.945 30 20 CHED C=C(C)[C@@H](NC(=O)[C@@H](C)C(C)C)c1ccc(F)c(F)c1 186061093 MNNOYTQCCHPFKK-XHDPSFHLSA-N 281.346 3.990 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CCCC(C)C 187791485 UXWRYTBWJQYORK-ZBFHGGJFSA-N 269.429 3.546 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@](C)(C=C)CC 187850125 OBCYGFOSOCXAEA-QGZVFWFLSA-N 275.367 3.943 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1csc(Cl)c1 187992655 MOXHOHZAPMYGPU-UHFFFAOYSA-N 280.711 3.665 30 20 CHED COc1cc(C(C)=O)ccc1S[C@H](C)CCC#N 188326832 CTSDRZJBLCQGEY-SNVBAGLBSA-N 263.362 3.682 30 20 CHED C=CC[C@@H](C)NC(=O)c1c[nH]cc1-c1ccc(C)s1 189651422 WLCKCDZQJSHWFC-SNVBAGLBSA-N 274.389 3.746 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(N(C)C)c(C)c1 190416145 AWUQLSOYMYRRCV-INIZCTEOSA-N 260.381 3.602 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 190477620 NWWXYGWKYKNLFJ-BZNIZROVSA-N 290.363 3.670 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2ncccc2c1 190647675 DLOFMNQOCQCWAG-INIZCTEOSA-N 254.333 3.776 30 20 CHED COc1ccc(C#N)cc1CNc1cccc2ccn(C)c12 190802585 OGRDXXODCDFORV-UHFFFAOYSA-N 291.354 3.671 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)c(Cl)c1 191695482 TWAZQYKFVDTRRN-HNNXBMFYSA-N 290.794 3.851 30 20 CHED C=CCC[C@H](C(=O)NCC=C(C)C)c1ccccc1 191792944 XNUHNYODAPSZLI-INIZCTEOSA-N 257.377 3.819 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccc(O)cc2CC)c1 192002798 ZKTGDUZVXSSNCC-UHFFFAOYSA-N 280.327 3.580 30 20 CHED C[C@@H](/N=C/c1cc2ccccc2nc1O)c1ccccn1 192975615 BBYQADDIFHCMQZ-ZGXHQARYSA-N 277.327 3.516 30 20 CHED COc1ccccc1C1(CN[C@H]2CCC[C@H](C#N)C2)CCC1 193287690 AAGJFVYTUFKERA-HOTGVXAUSA-N 298.430 3.789 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1c(F)cccc1F 193764352 DBPNTKIQHLAXGG-QWRGUYRKSA-N 284.302 3.550 30 20 CHED C=CCSCC(=O)N[C@H](CC)c1ccccc1OCC 195061369 XPHYCIKQXYQKMY-CQSZACIVSA-N 293.432 3.572 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 211392291 OTAHBRZBXAFRCT-XFXZXTDPSA-N 296.326 3.557 30 20 CHED N#Cc1ccc(NC(=O)CCC2CCCCC2)cc1C#N 224333955 KJOJFIOCDXDSTB-UHFFFAOYSA-N 281.359 3.729 30 20 CHED CSC1(CNCc2cc(C#N)cs2)CCCCC1 235263200 MSCGXXMQAWKQAU-UHFFFAOYSA-N 280.462 3.775 30 20 CHED C[C@H](Cc1ccsc1)Nc1nccc(C#N)c1Cl 235490632 KPGJFRHGDCQKEF-SECBINFHSA-N 277.780 3.711 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(C#N)cc2F)o1 237363362 CDVUQOYMCDWCDN-ABAIWWIYSA-N 284.334 3.704 30 20 CHED C/C(=C/C(=O)OCC1(CC#N)CC1)c1ccccc1Cl 255068531 JMWBBJMQWFFKAE-BENRWUELSA-N 289.762 3.980 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)s1 255364116 VWGFSQAMXIFHLI-ARJAWSKDSA-N 280.295 3.936 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2cccc(C#N)c2)c1 255396968 MIDAXNMVFRCQIP-VURMDHGXSA-N 265.287 3.902 30 20 CHED CCN(CCC#N)C(=O)c1sc2cccc(F)c2c1C 264016294 HSIBEVIKQWKVOW-UHFFFAOYSA-N 290.363 3.725 30 20 CHED C=CCCCC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C 267113311 RUFKAYKPPGWOJT-CYBMUJFWSA-N 291.391 3.546 30 20 CHED CC[C@@H](C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1 270312969 ZDBPRAYCXOBNCF-QGZVFWFLSA-N 290.366 3.641 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCc2ccsc2C1 270516637 QYEXBMNLEUAWGS-UHFFFAOYSA-N 297.383 3.518 30 20 CHED C=CCC1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CCC1 276873676 RKZZOODCTNCXNV-UHFFFAOYSA-N 286.419 3.742 30 20 CHED CC#CCCCC(=O)Nc1cnn(CCC(C)C)c1CC 277371516 DDDHTPZOKIXEIN-UHFFFAOYSA-N 289.423 3.624 30 20 CHED COc1cccc(-n2ccnc2S[C@@H]2CC[C@H](C#N)C2)c1 278653720 WLBSYLFMEOUCMR-SWLSCSKDSA-N 299.399 3.665 30 20 CHED Cc1ccc(NCCCC2(C#N)CCOCC2)c(F)c1 281279439 RUZIIMPNUSCRAM-UHFFFAOYSA-N 276.355 3.647 30 20 CHED CC(C)(C)SCCSc1cc(C#N)ccn1 282674740 PIUCIKLUHSDBEE-UHFFFAOYSA-N 252.408 3.577 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 285381931 IWUIQMPQVBWMTR-ZYHUDNBSSA-N 276.767 3.520 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 286544649 QZFUPVUJXBFLDA-YGRLFVJLSA-N 298.308 3.822 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](C)c1ccccn1 286797440 UPIJHKWLCLUAOE-AWEZNQCLSA-N 275.396 3.578 30 20 CHED C[C@H]1C[C@H](C(=O)N(C)Cc2cccc(C#N)c2)CC[C@H]1C 294567670 ZSRAOAHNMADFIY-JKIFEVAISA-N 284.403 3.589 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 295714655 NNWAKXQLRVUJRW-BBRMVZONSA-N 284.403 3.826 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(CC#N)cc1 295756013 JBLBPGUMLMECQL-GOSISDBHSA-N 284.403 3.793 30 20 CHED Cc1cccc(OC(=O)[C@@]2(C#N)CC23CCCC3)c1C 297852839 NVKAAZSMXSKXES-KRWDZBQOSA-N 269.344 3.683 30 20 CHED Cc1c(CNc2ccc(C#N)cn2)oc2ccc(F)cc12 301091923 FRICCJRARJHQIJ-UHFFFAOYSA-N 281.290 3.759 30 20 CHED CC(C)(C)c1cccc(OCCNc2ccc(C#N)cn2)c1 301244441 AVOGTEWJZIDZNU-UHFFFAOYSA-N 295.386 3.742 30 20 CHED CCC[C@H]1CCCN(c2snc(Cl)c2C#N)C1 301620010 MEWHYAPLPKPKHL-VIFPVBQESA-N 269.801 3.685 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCCc2ccccc21 302481485 WOIZFTLMIOPRJC-QGZVFWFLSA-N 273.339 3.919 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc2ncccc2c1 302871344 BVYCNEJHGNGRFE-UHFFFAOYSA-N 271.279 3.770 30 20 CHED CCC[C@H](CC)Nc1ncc(Br)cc1C#N 309171812 AQPNCJMYHUPMBS-NSHDSACASA-N 282.185 3.706 30 20 CHED O/C(=N/[C@@H]1CCCc2occc21)NC1(c2ccccc2)CC1 328716837 UFMLNUFXKLCKLI-OAHLLOKOSA-N 296.370 3.850 30 20 CHED Cc1nc(N=C(O)c2cccnc2C2CC2)cc(C2CC2)n1 329664500 QKBHPHMGYOIGRW-UHFFFAOYSA-N 294.358 3.571 30 20 CHED CC[C@@H]1CCc2nc(N=C(O)C[C@H]3CCOC3)sc2C1 329862762 YTWRFVJTRSJXLL-GHMZBOCLSA-N 294.420 3.673 30 20 CHED CCc1nc([C@H](C)/N=C(/O)[C@H]2CCCOCC2)cs1 329893592 JNNTYOLSARXGNT-QWRGUYRKSA-N 282.409 3.540 30 20 CHED COC1(C/N=C(/O)c2cncc3ccccc23)CCCCC1 330046579 HBAGGTLFSBNDLO-UHFFFAOYSA-N 298.386 3.889 30 20 CHED CCOc1ccccc1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331277706 JLEBLNUJHFXUQT-VXGBXAGGSA-N 262.353 3.600 30 20 CHED COc1c(C)ccc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)c1C 331312389 ZXUXOQMLLGTBJB-ZWNOBZJWSA-N 276.380 3.827 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2c2ccc(F)cc2)c(F)c1 334812491 QKRYXUPDXPHINZ-OAHLLOKOSA-N 285.297 3.573 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 335437810 RWJCGHMSIYNZNG-SKDRFNHKSA-N 286.158 3.523 30 20 CHED CC1(C)CN(CCCC2(C#N)CCOCC2)[C@@H]2CCC[C@@H]21 339715183 CEQZNSGIBJLCHB-JKSUJKDBSA-N 290.451 3.597 30 20 CHED CC(C)c1ccoc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 339849420 CFXYAOHWYSUSIJ-LBPRGKRZSA-N 282.343 3.766 30 20 CHED Cc1cccc([N+](=O)[O-])c1NCC(C)(C)CCC#N 340899082 NFROIFNVMYYULU-UHFFFAOYSA-N 261.325 3.645 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1F 340927978 PXJVMQPIAPFFOA-QWHCGFSZSA-N 279.380 3.585 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(C(C)=O)cc1 342621911 JZNLNXUZGSWBBQ-UHFFFAOYSA-N 289.375 3.591 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCSc2ccccc21 343164421 JWKBVZCYYYRESP-AWEZNQCLSA-N 275.417 3.691 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1nccc(C)c1C#N 343535858 SKLBFFYPOGXYOE-INIZCTEOSA-N 263.344 3.670 30 20 CHED CSc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccn1 344115360 XCDJYIFCOSSWGN-GFCCVEGCSA-N 283.400 3.526 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2ccccc2)cn1 350700921 OTQRKZQRXIXQGS-KRWDZBQOSA-N 279.343 3.627 30 20 CHED CSc1ccc(/C=C/c2ccc(C#N)cn2)s1 351991348 SXIGDBISMTUSKA-SNAWJCMRSA-N 258.371 3.907 30 20 CHED N#Cc1csc(C(=O)NCc2cc3ccccc3s2)c1 352449647 BYTOLWZKQGOHRK-UHFFFAOYSA-N 298.392 3.764 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](c1cccnc1)C(C)C 352476526 IRCOSPPNSXYSRV-OAHLLOKOSA-N 274.408 3.540 30 20 CHED CC1(C)CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 353260901 UIYIJFVDVKIVBN-GDBMZVCRSA-N 254.377 3.714 30 20 CHED CCCN(CC(F)F)C(=O)C[C@H](CC#N)c1ccccc1 355456588 LNPWSCMZSOMIPQ-AWEZNQCLSA-N 294.345 3.578 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(CC)CCC1CC1 358831553 PKYIDDKHKHTBCV-UHFFFAOYSA-N 288.439 3.748 30 20 CHED CO[C@@H]1CCC[C@H]1CN[C@@H]1CCCCc2cc(C#N)ccc21 360650887 YXQLMGNZMDCFID-QXAKKESOSA-N 298.430 3.730 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1ccc(SCC)cc1 362369993 JIDGBCPZZHSNAS-RYUDHWBXSA-N 278.421 3.733 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 362836750 JEZONYQSLQLGJF-RDJZCZTQSA-N 296.370 3.601 30 20 CHED COc1cccc([C@H]2[C@H](c3ccccc3)CCN2CC#N)c1 364711070 PFEYRHBDQNRVKK-OALUTQOASA-N 292.382 3.749 30 20 CHED COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc(C#N)nc2)c1 376357742 YSBMTUQUBFUKHW-ACJLOTCBSA-N 293.370 3.549 30 20 CHED CC[C@H](CNCc1ccc(C#N)cc1)CC(F)(F)F 402674825 YBTSVMKRHDNADO-NSHDSACASA-N 270.298 3.626 30 20 CHED CCOc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 404865738 ZTWJJTIXSAVWBG-CYBMUJFWSA-N 298.361 3.947 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cncc(-c2ccccc2)c1 410828344 NHAXYXFLORKKPF-QGZVFWFLSA-N 293.370 3.513 30 20 CHED C=CC(C)(C)C(=O)Nc1cnc(C(F)(F)F)cc1C 410869948 BEZCERDQEQIJKY-UHFFFAOYSA-N 272.270 3.560 30 20 CHED CC#CCCNC(=O)Nc1ccc(Cl)c(SC)c1 417274766 DDUVJVQEAAXWIJ-UHFFFAOYSA-N 282.796 3.597 30 20 CHED N#Cc1ccc(CN2CCC[C@@H](Oc3ccccc3)C2)cc1 418098993 MUXQLTPXPKDRRU-LJQANCHMSA-N 292.382 3.602 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(C)c(C)n2)no1 420509522 DSUNTWKYHMLILO-HNNXBMFYSA-N 257.337 3.602 30 20 CHED Cc1ccc([C@H]2[C@H](C)CCCN2c2cncc(C#N)n2)cc1 420597439 IKYVPOOWJBSNBN-RDTXWAMCSA-N 292.386 3.634 30 20 CHED N#C[C@H]1CC[C@@H](NCc2c(Cl)oc3ccccc23)C1 424199215 QHBLNCAEMBOQSW-WDEREUQCSA-N 274.751 3.868 30 20 CHED C=CCCC1(C(=O)N2CC3(CCC3)[C@H]2C2CC2)CC1 427597267 SLHMLEONZQSTPI-CQSZACIVSA-N 259.393 3.524 30 20 CHED COC(=O)c1ccc([C@H](C)Sc2cccc(C#N)c2)o1 435037636 YDOXRKNXRBAHML-JTQLQIEISA-N 287.340 3.791 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCCC1CCCCC1 437244730 NBGXMERGGZWLSI-HOTGVXAUSA-N 251.414 3.528 30 20 CHED Cc1cc(CSc2nnc(C3CC3)s2)ccc1C#N 447286738 HZIZQUZKWFKCOY-UHFFFAOYSA-N 287.413 3.888 30 20 CHED CC[C@H](NCC(C)(C)N1CCCCC1)c1ccc(C#N)cc1 447511136 KOEHPCGFCGAGMM-SFHVURJKSA-N 299.462 3.863 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 447960560 AGDNXNRBYQIJTK-DAXOMENPSA-N 272.392 3.745 30 20 CHED CC(C)(CCC#N)CN1CCOC[C@H]1c1ccc(F)cc1 449597078 YQJWRBHLEZIVES-INIZCTEOSA-N 290.382 3.529 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCO[C@@H](c2cccs2)C1 449621554 HTXNLECQKAYULB-ZIAGYGMSSA-N 292.448 3.888 30 20 CHED N#CCc1cccc(NCc2ccnn2C2CCCC2)c1 449701617 QZYKFZFRXVBGOJ-UHFFFAOYSA-N 280.375 3.676 30 20 CHED N#Cc1ccnc(N2CCCC[C@@H]2c2cccc(Cl)c2)n1 450484660 LYZYZKKUJPLNJK-OAHLLOKOSA-N 298.777 3.733 30 20 CHED N#C[C@]1(C(=O)N2CCCC3(CCCC3)C2)CC12CCCC2 451000821 IBBZSJAWIYGFTP-SFHVURJKSA-N 286.419 3.643 30 20 CHED C=C(C)CCNC(=O)c1ccc(C(F)(F)F)cc1C 452746431 YVIZPALHYLEHKI-UHFFFAOYSA-N 271.282 3.710 30 20 CHED C=CCC1(CN[C@@H](C)c2cn(C)nc2C)CCCC1 453382446 SFMFUJAHAPLNLD-ZDUSSCGKSA-N 261.413 3.516 30 20 CHED C=CCC[C@@H](CO)NC(=O)Nc1cc(C)cc2ccccc12 455745753 SSVMKVZRAMFMTP-HNNXBMFYSA-N 298.386 3.597 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C 456342274 PDLLCBGKXQHDCT-KGLIPLIRSA-N 251.414 3.728 30 20 CHED C=CCC1(NC(=O)c2cc(C(C)=O)cs2)CCCCC1 456372554 UQZZGTAEQFORER-UHFFFAOYSA-N 291.416 3.960 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(CC#N)c2)C1 456738813 UXLVQVQPAJDLOY-UKRRQHHQSA-N 270.376 3.908 30 20 CHED CC(C)(C(=O)Nc1cccc(CC#N)c1)C1CCCC1 456751238 NHDKHIMMICJHLB-UHFFFAOYSA-N 270.376 3.908 30 20 CHED C=CCC1(NC(=O)N[C@H]2CCOC(C)(C)C2)CCCCC1 458599548 MTUFOJZDXDSJOH-AWEZNQCLSA-N 294.439 3.522 30 20 CHED C[C@@H](CN(C)CCCCC(C)(C)C#N)C(=O)OC(C)(C)C 459830147 PZOGQIFQWWCCGD-AWEZNQCLSA-N 296.455 3.616 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 462140177 PGOQIQKWAXROMT-JJRVBVJISA-N 284.403 3.747 30 20 CHED C[C@@H](C(=O)NCC(C)(C)C1CCCC1)c1cccc(C#N)c1 462232042 LCOLVOXNLNZMGP-CQSZACIVSA-N 298.430 3.994 30 20 CHED C=CCCC[C@@H](C)N1Cc2ccc(O)cc2C2(CC2)C1 463428169 XJQJDTZUOYYOTN-CQSZACIVSA-N 271.404 3.984 30 20 CHED CCSc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 464155879 FUEOSMHTBGNPTB-INIZCTEOSA-N 290.432 3.857 30 20 CHED CC#CCCCC(=O)N(CC)c1ccc(OCC)cc1 464573478 VEQLJEWRICIIPU-UHFFFAOYSA-N 273.376 3.632 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1OC(F)F 466385739 JGRJLENQIBOMJW-SNVBAGLBSA-N 284.306 3.764 30 20 CHED C=CCCCCCN(C)C(=O)COC(C)(C)C(F)(F)F 469171431 MAOLNCXTVVKOFF-UHFFFAOYSA-N 295.345 3.549 30 20 CHED C=C[C@H](C)NC(=O)c1sc2ccc(C)cc2c1C 469581397 WIROEXRDTVMSIZ-JTQLQIEISA-N 259.374 3.822 30 20 CHED C=CCCC(=O)Nc1ccc2c(c1)N(CCCC)CC2 472665766 KOSVCCDQGMNNGN-UHFFFAOYSA-N 272.392 3.754 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H](CC)CC1 474079868 LMZGQTWVGZWOHI-CQSZACIVSA-N 252.402 3.564 30 20 CHED C=CCOCCCSc1nc2ccc(C)cc2[nH]1 475954503 LZHHSOJHRYGDPW-UHFFFAOYSA-N 262.378 3.556 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccccc1C)C1CC1 479637219 XOEIBCDVCJCKCM-QGZVFWFLSA-N 257.377 3.919 30 20 CHED CC(C)[C@@H]1N(C(=O)C[C@H](CC#N)c2ccccc2)CC1(C)C 480442347 CUMBVLNTKWVMCB-WMZOPIPTSA-N 298.430 3.967 30 20 CHED Cc1ccnc(N2CCC[C@H](C(C)(C)C)C2)c1C#N 481041639 RWZIDPWWISBNQP-ZDUSSCGKSA-N 257.381 3.524 30 20 CHED Cc1nc(N2C[C@@H](C)C[C@@H]2c2ccccc2)ccc1C#N 488020565 BUDNNGKQOJEJQV-SUMWQHHRSA-N 277.371 3.849 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)SCc1ccccc1 488846402 TTYSOQJTAMGIQH-GDBMZVCRSA-N 289.444 3.875 30 20 CHED CCC(CC)(CC)CNC(=O)NCc1cccc(C#N)c1 497608094 GVHUHUHDKZKOPG-UHFFFAOYSA-N 287.407 3.574 30 20 CHED CCCN(CC#N)C(=O)CCc1ccc(CC(C)C)cc1 501801033 DMUASDBWKUDXQI-UHFFFAOYSA-N 286.419 3.580 30 20 CHED N#CCNC1(c2ccc(C(F)(F)F)cc2)CCCC1 505457181 IOQJCUZTBPYQJD-UHFFFAOYSA-N 268.282 3.588 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnc2cc(C)ccn12 508533920 LZGKFPGMVFNKST-UHFFFAOYSA-N 291.398 3.831 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc(F)cc2)n1 508668073 WIOLIEUBWNTHOG-UXBLZVDNSA-N 258.296 3.888 30 20 CHED C=CCn1c(-c2sccc2C)nnc1N(C)CC(=C)C 508994799 JKQAURCBWHIIED-UHFFFAOYSA-N 288.420 3.513 30 20 CHED CC[C@@H](C)[C@@H](C)N(Cc1cccc(C#N)c1)C1CC1 513450331 JISBQWQVTDEPGG-ZIAGYGMSSA-N 256.393 3.957 30 20 CHED CC#CCCCC(=O)N1CCC(C)(CC(C)C)CC1 517242810 SHEVFPICMDOGNL-UHFFFAOYSA-N 263.425 3.855 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 519419641 DVSTYQXYLXDAHI-GFCCVEGCSA-N 295.835 3.999 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc2c(C)cccc2s1 527723423 DGXUBJUAZOQDPP-UHFFFAOYSA-N 287.388 3.873 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc3occc3c2)CC12CCCC2 530004849 WIKVNQPFGRHKBL-QGZVFWFLSA-N 280.327 3.845 30 20 CHED CCCCN(C(=O)[C@H](C)C#N)[C@H](C)c1ccccc1 531061225 OTFYRTMHYJZPPY-ZIAGYGMSSA-N 258.365 3.536 30 20 CHED C=C(C)CSCc1nc(-c2ccc(C)cc2)no1 531350322 BBQQVCABAKANPZ-UHFFFAOYSA-N 260.362 3.854 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](CCCC)C1CCC1)OCC 534417326 FIMUKJMJUDZHJV-JKSUJKDBSA-N 281.440 3.833 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)CCC(C)(C)C)OCC 535211075 PLPLMYRXOQSTCQ-ZIAGYGMSSA-N 269.429 3.689 30 20 CHED Cc1cccc([C@H](C)NCCOc2ccc(C#N)cc2)c1C 536873976 BPSQCRNHLMRPAG-INIZCTEOSA-N 294.398 3.905 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(C)c2cc(Cl)ccc2C#N)C1 537355875 COEYIBVDMPDSMZ-MNOVXSKESA-N 276.767 3.611 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(Cl)cc1Cl 538193325 BPSTXFRFZUFOKC-MNOVXSKESA-N 288.218 3.829 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CSc2ccccc21 540490907 ZKIRHGSPLHOEGY-TZMCWYRMSA-N 290.432 3.877 30 20 CHED Cc1cccc(O[C@@H](C)CN[C@@H](C)c2ccc(C#N)cc2)c1 540593665 NBIXXCOCJHCUJM-HOTGVXAUSA-N 294.398 3.985 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1cc2ccccc2o1 541254732 FYBSKBCAJFSBKU-CQSZACIVSA-N 286.375 3.629 30 20 CHED C=CCN(C(=O)C(C)(C)c1cccc(Cl)c1)C1CC1 541593747 ZDRDVGCRQROAAW-UHFFFAOYSA-N 277.795 3.795 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CCCCS1 543342387 LAFSDEVOYBOSPU-AWEZNQCLSA-N 284.469 3.660 30 20 CHED C=C(C)CN(CC)C/C=C/c1ccc(F)cc1F 543626294 XOFLNDVLEYVLMT-AATRIKPKSA-N 251.320 3.876 30 20 CHED CC#CCCNC(=O)C1(c2c(Cl)cccc2Cl)CC1 544580992 FPVXJPYTUJADQG-UHFFFAOYSA-N 296.197 3.555 30 20 CHED CC(C)CN(C(=O)[C@@H](C)C(C)(F)F)c1ccc(C#N)cc1 550227454 HFFMMDNBVZNVKY-GFCCVEGCSA-N 294.345 3.839 30 20 CHED Cc1ccc(C)c(C(=O)N[C@](C)(C#N)C2CCCCC2)c1 550352115 WWWVDJALEAPGPA-GOSISDBHSA-N 284.403 3.896 30 20 CHED C=CCCCC[C@H](C)NCc1ccc2c(c1)COC2 552599622 JVDUOARMWJQMTE-AWEZNQCLSA-N 259.393 3.941 30 20 CHED N#CC1(CNC2(c3ccc(Cl)c(Cl)c3)CC2)CC1 553614954 BXYHYHIWNCKAKY-UHFFFAOYSA-N 281.186 3.876 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1Nc1cc(C#N)ccn1 557671247 OIBPQFZOPPMSKA-HZPDHXFCSA-N 287.407 3.739 30 20 CHED N#Cc1ncccc1NC[C@H]1CCC[C@@H](C(F)(F)F)C1 562239349 QEOODGUJJJRPQB-WDEREUQCSA-N 283.297 3.734 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OC)c2cccnc12 563155934 RFTAFLYZPFLJDS-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C=CC[C@H](C)N[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F 565088629 IXNJHJRTECUBKB-JOYOIKCWSA-N 288.269 3.752 30 20 CHED C=CC[C@@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 565906982 ZZFPPTRGDQKJEW-SNVBAGLBSA-N 284.384 3.776 30 20 CHED C=CCOCCN1CCc2c(Cl)cc(Cl)cc2C1 568420181 YAUVWGZEMMMELD-UHFFFAOYSA-N 286.202 3.554 30 20 CHED COC1(CCSc2cccc(F)c2C#N)CCC1 570060618 NFAICDRLXXDDGD-UHFFFAOYSA-N 265.353 3.749 30 20 CHED C=CCOc1cccc(CN2CCC(CCC#N)CC2)c1 572484204 FQOKFCXWSDONPX-UHFFFAOYSA-N 284.403 3.767 30 20 CHED CC(C)c1ccc(CSc2ccnc(C#N)n2)cc1 577963008 LXGKLMVTCAQEAP-UHFFFAOYSA-N 269.373 3.764 30 20 CHED CC[C@H]1CCCCN1C(=O)Nc1scc(C)c1C#N 580031696 KBOCNPPEHIUJDZ-NSHDSACASA-N 277.393 3.725 30 20 CHED CCN(CC#N)C/C(C)=C\c1ccccc1OC(F)F 580135973 BKFVVVJXHFIKMA-BENRWUELSA-N 280.318 3.537 30 20 CHED CC(C)[C@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 583542917 LTWKKGFKAGVURI-HNNXBMFYSA-N 286.766 3.811 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(CCC#N)CC1 584170254 FWASCGHBKVXUAF-CQSZACIVSA-N 267.376 3.635 30 20 CHED CC(C)C(C)(C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 584402573 CHQVHGSVPYBLGB-UHFFFAOYSA-N 290.411 3.671 30 20 CHED Cc1cccc([C@@H](C)NC(=O)CCCCCC#N)c1C 588158169 JGZUPUVYJQKBPI-OAHLLOKOSA-N 272.392 3.955 30 20 CHED CSc1ccc(F)cc1CNC(=O)CCCCCC#N 588160495 XEUMLYTYFRRZIM-UHFFFAOYSA-N 294.395 3.638 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)CCCCCC#N 588647167 XFRRFNJUMANLNA-OAHLLOKOSA-N 264.413 3.888 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(F)c1 589800521 GZUHGOQTIUZADL-CQSZACIVSA-N 296.345 3.905 30 20 CHED CSCCCS[C@H](C#N)Cc1ccccc1 591129944 VTIUPIRUKLWZJG-ZDUSSCGKSA-N 251.420 3.608 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H]2C(C)(C)C)cc1 591238654 OTBGPDMQJMUZNY-INIZCTEOSA-N 287.403 3.902 30 20 CHED CSCC1(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 593003713 LNORNKVUBMWUPQ-UHFFFAOYSA-N 294.445 3.708 30 20 CHED N#CCCCCNC(=O)CCCc1ccc2c(c1)CCCC2 593050251 DYRUKCFKUSSWPQ-UHFFFAOYSA-N 298.430 3.698 30 20 CHED C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1 595087831 FGFBMUPXDRNXOA-KZULUSFZSA-N 278.355 3.602 30 20 CHED C[C@@H](c1ccc2c(c1)CCC2)N1CCC[C@H](CC#N)C1 595623238 KLJITELTIKLPLQ-LSDHHAIUSA-N 268.404 3.862 30 20 CHED CC[C@H](NCC1(O)CCC(C)CC1)c1ccc(C#N)cc1 596093684 DKMKBQPPVASGTF-GMXGEUMGSA-N 286.419 3.540 30 20 CHED N#CCC1(CSCc2cnn(-c3ccccc3)c2)CC1 596326073 WQLJCEVEMLTNHE-UHFFFAOYSA-N 283.400 3.799 30 20 CHED C[C@H](C#N)N(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1 598122807 GHCCZXWZHXEZON-MRVPVSSYSA-N 283.158 3.510 30 20 CHED C[C@H](C#N)N(C(=O)CC(C)(C)C1CCCCC1)C1CC1 598137911 PEXGKJKWKMZGLH-CYBMUJFWSA-N 276.424 3.886 30 20 CHED CCC1(CC)CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 598221856 XQZLYHAEOJLTBV-SFHVURJKSA-N 288.435 3.889 30 20 CHED Cc1cc(CSc2nc3c(cc2C#N)CCCC3)ccn1 598713659 WUARGYCKICDRPL-UHFFFAOYSA-N 295.411 3.828 30 20 CHED CC(C)(C#N)C[C@@H](O)CNc1ccc(C2CCC2)cc1 598729341 IQUZRWDQMKRHSQ-MRXNPFEDSA-N 272.392 3.667 30 20 CHED CC(C)(C#N)c1ccccc1CN(C1CC1)C1CC1 599599130 JZEMCQLJSRAHLG-UHFFFAOYSA-N 254.377 3.615 30 20 CHED Cc1ccc(-c2cccc([C@@H]3CCCN3)c2)cc1C#N 600793859 PPYGWWMRZLNHQX-SFHVURJKSA-N 262.356 3.958 30 20 CHED N#Cc1cc(F)cc(NCc2ccc3cnccc3c2)c1 600862116 UHOGSZYBLCFWDN-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CSc1ccc([C@H](C)NCc2cccc(C#N)n2)cc1 602647425 JGAWHYWXFFDKMS-LBPRGKRZSA-N 283.400 3.526 30 20 CHED C[C@H](CCC#N)CNCC1(c2ccccc2F)CCC1 602700936 XTRZOOFOOBDXAT-CQSZACIVSA-N 274.383 3.777 30 20 CHED CCC1CCC(N(C)C(=O)Nc2cccc(C#N)c2)CC1 603841227 VKDITVHUAXVSFL-UHFFFAOYSA-N 285.391 3.991 30 20 CHED C[C@@H](CC#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 604573455 WVKRGGDLOQYOMV-DTWKUNHWSA-N 285.174 3.515 30 20 CHED CCC(C)(C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 608847198 VXJFZCDBXMLXSW-UHFFFAOYSA-N 286.419 3.979 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 610354301 WBGCPWXYSDMDIO-MJBXVCDLSA-N 287.407 3.743 30 20 CHED N#Cc1ccc(C(=O)N2CCC(C3CCCC3)CC2)s1 610522597 KLEXMLGPDWSKJX-UHFFFAOYSA-N 288.416 3.662 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(F)c(C#N)c1)CC2 610719279 GYBLVBPADYBSCW-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CN1Cc2ccccc2[C@H](Nc2c(Cl)cccc2C#N)C1 611133211 OTCWBPQZZKGYJU-MRXNPFEDSA-N 297.789 3.810 30 20 CHED C[C@]1(C#N)CCCN(CCc2ccccc2Cl)C1 612159042 QJQASWZLHRTXQY-OAHLLOKOSA-N 262.784 3.508 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(-c2cnco2)c1 613271080 FMOPYEBZNKWSBR-CYBMUJFWSA-N 284.359 3.816 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CSCc3ccccc32)C1 618570470 FCMMOODUUXNYKV-XPKDYRNWSA-N 272.417 3.646 30 20 CHED C=CCC1(NC(=O)CCc2cccs2)CCCC1 619105343 CLAFNFKKFJTPEZ-UHFFFAOYSA-N 263.406 3.686 30 20 CHED C=CCC1(NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CCCC1 619111882 KWDNMRZTPYRQKI-DLBZAZTESA-N 299.414 3.804 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 628395741 VGJIFNATTWZJKK-VXGBXAGGSA-N 271.351 3.505 30 20 CHED C=CCOc1ccc(C(=O)N2CCCC(F)(F)CC2)cc1 628637580 SZXINZTUULWUPU-UHFFFAOYSA-N 295.329 3.513 30 20 CHED C=CCCCn1cc(-c2ccccc2OC(F)F)nn1 640935492 FCAQURYALNQADV-UHFFFAOYSA-N 279.290 3.513 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC2(CC1)OCc1ccccc12 644675265 NQYQPQDFRMIYAQ-UHFFFAOYSA-N 299.414 3.637 30 20 CHED C=CC[C@@H](Cc1ccccc1)n1cc(/C=C\C)nn1 656457462 NIQHKKDMKJKQEC-XOYTVWKISA-N 253.349 3.671 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1cccnc1N1CCCC1 658106525 QFRUNMVNZXSSOL-WMZOPIPTSA-N 299.462 3.906 30 20 CHED C=CCCNC(=O)N[C@@H](CC)c1cccc(Cl)c1 660391111 MPECRVWWGGZPNR-ZDUSSCGKSA-N 266.772 3.666 30 20 CHED C=CCCN(C)c1nc(C(F)F)nc2ccc(F)cc12 663835334 BGJHONIGFFEUFF-UHFFFAOYSA-N 281.281 3.719 30 20 CHED C=C(CNC(=O)c1cc(F)cc(Cl)c1)c1ccccc1 672481358 QYLOJAYAGNMSFK-UHFFFAOYSA-N 289.737 3.922 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(OCC)cn1 674862405 VEAKATWCQQDMNX-UHFFFAOYSA-N 296.414 3.711 30 20 CHED CCC#C[C@@H](C)Sc1nnc(-c2cccs2)n1CC 677131564 PMPFWBULMKNGPR-LLVKDONJSA-N 291.445 3.921 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(OC(C)C)cc1 678881265 BXDOLIJBDWFOLO-AWEZNQCLSA-N 275.392 3.948 30 20 CHED COCC#CCN[C@@H](C)c1ccc(Cl)c2ccccc12 680898748 SIZYHWUBRVHCQY-ZDUSSCGKSA-N 287.790 3.794 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn(CC(C)C)c1CC 682383003 XOFSWZVUBLJLNL-INIZCTEOSA-N 277.412 3.642 30 20 CHED C=CCC[C@@H](C(=O)N1CC(C)(C)C1)c1ccccc1 684084680 YWIOVIWJZOONBT-OAHLLOKOSA-N 257.377 3.605 30 20 CHED Cc1cccc(C)c1C(=O)Nc1cc(F)cc(C#N)c1 720268193 MOYJGRJTVGMOSG-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CCOc1ccccc1C=NNc1cccc(OC)c1 725853262 HXZSEDQRIMAMBM-UHFFFAOYSA-N 270.332 3.540 30 20 CHED N#CCCCOC(=O)c1ccccc1NCc1ccccc1 726831900 UXANFKJDDVNRED-UHFFFAOYSA-N 294.354 3.759 30 20 CHED CCOCC(C)=NNC(=S)Nc1ccccc1C(C)C 727062646 XOZKNRUITRZDHN-UHFFFAOYSA-N 293.436 3.509 30 20 CHED C#CCCCOC(=O)[C@H](SCc1ccccc1)C(C)C 727630647 CQSLXXGLUQJXCY-MRXNPFEDSA-N 290.428 3.901 30 20 CHED O=[N+]([O-])c1ccc(-c2ccc(C=NNC3CCCC3)o2)cc1 727652263 MADDFOULMKWVBR-UHFFFAOYSA-N 299.330 3.721 30 20 CHED CCC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccn1 729149723 OGWROWSWZGZXOK-DZBQEORWSA-N 299.330 3.656 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)/C=C(/C)C2CC2)cc1 729251096 SXAKPJKNADWWTE-YPKPFQOOSA-N 298.386 3.688 30 20 CHED CCc1oc2ccccc2c1C=NNc1ccc(C)nn1 729935740 MRLFABLCZZZWEM-UHFFFAOYSA-N 280.331 3.540 30 20 CHED C#CCOc1ccc(CNC2CC(c3ccccc3)C2)cc1 733328128 IFQMFAWISRCNNB-UHFFFAOYSA-N 291.394 3.734 30 20 CHED C=CCCCN1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 735492937 LAJXPQJPQJYWJH-HLLBOEOZSA-N 259.393 3.803 30 20 CHED C=CCCCOC(=O)Cn1ccc2ccc(Cl)cc21 735531665 CLMHLRCQYXSKMP-UHFFFAOYSA-N 277.751 3.804 30 20 CHED C=C(Cl)CSc1nc(N)c2c(C)c(C)sc2n1 735618187 GZVJIUKCWVMUJS-UHFFFAOYSA-N 285.825 3.735 30 20 CHED c1ccc([C@H]2CCCCC2=NNc2cccnn2)cc1 735974658 JRXSDZMJOISCDC-CQSZACIVSA-N 266.348 3.602 30 20 CHED CCCCCCCC(=O)N(C)[C@@H](C)CCSC 736063705 UIROXMXIALMGLZ-ZDUSSCGKSA-N 259.459 3.947 30 20 CHED CCCCCCCCCNC(=O)c1ncoc1CC 739691094 UKUCMBRHCZILAJ-UHFFFAOYSA-N 266.385 3.717 30 20 CHED COc1ccc(CN[C@@H]2C[C@@H]2C2CCCCC2)cc1C#N 742375165 KBTDHKIMMIXWRI-IAGOWNOFSA-N 284.403 3.625 30 20 CHED C[C@@H](NC(=O)NC[C@H](C)C(C)(C)C)c1cccc(C#N)c1 743612363 JFMQZWZADCQCEM-QWHCGFSZSA-N 287.407 3.601 30 20 CHED CC#CCOC(=O)CCCC(=O)c1c(C)cc(C)cc1C 744811983 MHJPMBVLCYQVCJ-UHFFFAOYSA-N 286.371 3.531 30 20 CHED CCC(CC)[C@@H](CC/N=C\c1ccccc1O)OC 746522676 PKNZJTVFDBKJHI-WISAJEAXSA-N 263.381 3.652 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc(Oc2ccccc2)o1 749040433 YGRKYSKBDHASQU-NSHDSACASA-N 271.272 3.531 30 20 CHED CC(C)=CCCC(C)=Nn1c(C)nc2ccccc2c1=O 749156483 GZAMDWHDAYEJNH-UHFFFAOYSA-N 283.375 3.675 30 20 CHED C=CCN(Cc1ccc(OC)cc1Cl)C(C)C 749835203 DSRVRTBCIBYEEL-UHFFFAOYSA-N 253.773 3.745 30 20 CHED C#CC[C@@H](OC(=O)c1cnc2ccccc2c1C)C1CC1 750773903 BTYIIXPVDCDIBQ-QGZVFWFLSA-N 279.339 3.502 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](C)CC(C)(C)C2)c1 752467643 OGYFXRCSHQGGIM-CYBMUJFWSA-N 270.376 3.568 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCOC(C)(C)C1 754863362 CWFQVQFMIJQZHP-CQSZACIVSA-N 284.444 3.604 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc([C@H](C)CC)cc1 755279447 LYZJIUSRRODIMC-IUODEOHRSA-N 258.365 3.622 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)CCc2cc(O)ccc21 755592142 XBBOZFUQLSBFAU-XGICHPGQSA-N 286.277 3.883 30 20 CHED FC(F)(F)c1cccnc1NN=C[C@@H]1C[C@H]2C=C[C@H]1C2 755642915 IZJXUUDAELFSMT-DCAQKATOSA-N 281.281 3.710 30 20 CHED Cc1csc(C=NNc2nccc3sccc23)n1 755649886 FDAQHDIAFDZATP-UHFFFAOYSA-N 274.374 3.507 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2CCCC(C)(C)C2)c1 755857780 XQDPHUQNRQBCQG-HNNXBMFYSA-N 269.388 3.847 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccsc1 759084743 QHSANQAEMIOUPW-OWOJBTEDSA-N 255.751 3.754 30 20 CHED C=C(Br)CN1CCCC12CCCCC2 759402200 YIQHWXUYUMRMRJ-UHFFFAOYSA-N 258.203 3.694 30 20 CHED CCc1nc2ccccc2n1N=Cc1cnc(Cl)c(C)c1 760239668 OLUWMWSRKABOGM-UHFFFAOYSA-N 298.777 3.838 30 20 CHED C#CCOc1cccc(-c2noc(/C=C\c3ccco3)n2)c1 761783042 LVLFTYZHAGXYMO-HJWRWDBZSA-N 292.294 3.512 30 20 CHED COc1cc(F)ccc1NN=Cc1c(F)cccc1F 761890266 KMBMTYIMUCVXID-UHFFFAOYSA-N 280.249 3.559 30 20 CHED COCc1ccc(C=NNc2cccc(C(F)(F)F)c2)o1 764648853 LHSJDHHHBIMBTA-UHFFFAOYSA-N 298.264 3.891 30 20 CHED Cc1cc(OC(=O)/C=C/SCc2ccco2)ccc1C#N 765113078 KIGPXEOYVYQDOV-SOFGYWHQSA-N 299.351 3.812 30 20 CHED C#CCCN(Cc1ccc(F)cc1Cl)CC(F)(F)F 767902899 UOCYITGBAYNLFT-UHFFFAOYSA-N 293.691 3.867 30 20 CHED C[C@H](C(=O)OCC1(C#N)CCC1)c1cccc(Cl)c1 768099350 QWPRXGYKPMTBMR-NSHDSACASA-N 277.751 3.681 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1ccc(Cl)nn1 769566923 KIHLUFZKWKMDKF-UWVGGRQHSA-N 266.776 3.744 30 20 CHED CC1(C)CCC(=NNCc2ccc(C#N)cc2)CC1 769820520 GNMJPQPRXBLKJI-UHFFFAOYSA-N 255.365 3.604 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(Cl)ccc1OCCC 770228897 PGNPUAAFYVANHH-NSHDSACASA-N 294.782 3.614 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)c1 770572351 FWCIZCDXQHWWHQ-CLFYSBASSA-N 295.313 3.992 30 20 CHED Cc1ccc(/C=C2\Oc3cc(F)ccc3C2=O)cc1[N+](=O)[O-] 773174801 XZOCIYVOJMBYRP-CHHVJCJISA-N 299.257 3.659 30 20 CHED C=CCc1ccc(OC(=O)CC[C@H](C)SC)c(OC)c1 773761079 DWKLKCRHJDWSPW-LBPRGKRZSA-N 294.416 3.861 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CC[C@@H](C)SC 773761244 GAUIUPMRVZFGML-GFCCVEGCSA-N 294.416 3.861 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2)[C@@H]1Oc1ccccc1 774313956 WFVCEMHFOVWZTB-ROUUACIJSA-N 296.370 3.711 30 20 CHED C#C[C@H](N[C@H](C)c1ccc(-c2ccccc2)o1)[C@H]1CCCO1 775573414 YHPKLRSQASTTOH-SIXWZSSISA-N 295.382 3.778 30 20 CHED C=C(C)[C@H](N[C@H](C)C(=O)OCCC)c1ccc(F)c(F)c1 775721392 XQAOLRYPKXSIHC-ABAIWWIYSA-N 297.345 3.513 30 20 CHED CCc1ccc([C@H](C)CC(=O)OCC2(C#N)CC2)cc1 775860355 UHCWALKFHKSFPM-CYBMUJFWSA-N 271.360 3.590 30 20 CHED C#CCOc1ccc(NC(=O)N[C@@H](C)CCCC=C)cc1 775998599 BHHZLRSYRUIVGS-AWEZNQCLSA-N 286.375 3.565 30 20 CHED C[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)c1cccc(F)c1 776390288 UVSDWIKMYMRKKR-MLGOLLRUSA-N 289.350 3.945 30 20 CHED CCCCCCCCCOC(=O)c1nccn2ccnc12 777092877 NFEUKCAJIIDEMJ-UHFFFAOYSA-N 289.379 3.637 30 20 CHED COCC(=NNc1ccccc1OC(F)(F)F)C(C)C 777452677 GRCJBIMCKJECMR-UHFFFAOYSA-N 290.285 3.656 30 20 CHED C[C@@H](C=NOCCC(F)(F)F)c1ccc(F)cc1 777455875 NHKBAMGKLFKEMK-VIFPVBQESA-N 263.234 3.884 30 20 CHED CCOC(=O)[C@@H]1CCC(=NOC2CCCCC2)C[C@H]1C 777458796 LWQUABWHECOXFI-IUODEOHRSA-N 281.396 3.691 30 20 CHED C#CCOc1cccc(Cl)c1CNc1cncc(C)c1 777733718 VBNGGHRINVCIFM-UHFFFAOYSA-N 286.762 3.668 30 20 CHED CC(C)CNN=Cc1ccc(Oc2ccccc2)o1 779783081 GZEZAKCXNUQWMY-UHFFFAOYSA-N 258.321 3.651 30 20 CHED CC1(C)C[C@@H](NN=Cc2ccc(-c3ccccc3)o2)CCO1 780249008 DPLSAUVPWJGSHY-HNNXBMFYSA-N 298.386 3.828 30 20 CHED CCCOc1ccc(C(C)=NNc2ccc(OC)cn2)cc1 780268415 IJHAEPOMKFUCMK-UHFFFAOYSA-N 299.374 3.715 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNc1ncncc1Cl 780279349 KAHUHYHTUVGVKO-VIFPVBQESA-N 266.776 3.744 30 20 CHED Cc1nc2cc(Nc3cccc(C#N)n3)ccc2s1 781396856 SWPVTBUJNAYDOZ-UHFFFAOYSA-N 266.329 3.615 30 20 CHED CC(C)(C)CCNN=Cc1cccc(Cl)c1F 782903196 RAQVDHMQHMTLDM-UHFFFAOYSA-N 256.752 3.839 30 20 CHED C[C@@H](C=NNc1ccc(C(=O)O)cc1)Cc1ccccc1 783769667 HWQOJSKJQBNXEW-CYBMUJFWSA-N 282.343 3.661 30 20 CHED C[C@H]1CCC(=NNc2ncnc3sccc23)[C@@H](C)C1 783815940 HVADIGDDGARBFM-UWVGGRQHSA-N 274.393 3.915 30 20 CHED N#CC1(C(=O)OCc2ccc(Cl)c(F)c2)CCCCC1 785670149 LQZWGNUQJCRELL-UHFFFAOYSA-N 295.741 3.996 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C(/C)c1ccc(F)cc1 785861476 AJCQIWRTIIFBFN-BFFYNSAMSA-N 273.351 3.796 30 20 CHED CC[C@@H](CC#N)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786514878 ZJDIPHUGYQQHIU-OLZOCXBDSA-N 284.359 3.897 30 20 CHED Cc1cc(C)nc(SCc2ccc(OCC#N)cc2)c1 786744056 NIGCYHFCCCLZMO-UHFFFAOYSA-N 284.384 3.893 30 20 CHED C=CCOCCCC(=O)OC/C=C/c1ccc(Cl)cc1 787719621 FAUPWHAYVKWPBC-HWKANZROSA-N 294.778 3.879 30 20 CHED C#CCC1(C(=O)NCc2ccc(F)c(C)c2)CCCCC1 788136748 XCUUCQZARCCCLP-UHFFFAOYSA-N 287.378 3.724 30 20 CHED Cc1ccc(C#N)cc1NC(=S)Nc1ccsc1 790312676 GTEBGLMHNMJGAL-UHFFFAOYSA-N 273.386 3.737 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)[C@H](C)c1ccccc1Cl 791059562 RLRRTXPHGWEDOB-CHWSQXEVSA-N 292.810 3.844 30 20 CHED CCC(C=NNc1ccc(C)c(C(=O)OC)c1)CC 793099152 YONGFKXLRBTNPK-UHFFFAOYSA-N 262.353 3.616 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCC2(C)C)c1 793539604 JDHGLUJKTXIDIA-GOEBONIOSA-N 272.392 3.646 30 20 CHED CC(C)[C@@H](C=NNc1ccc(C(=O)O)cn1)c1ccccc1 794525688 FPZNGRHWYNMUFJ-OAHLLOKOSA-N 297.358 3.617 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2c(C)cccc2F)[C@@H]1C 794533969 CQDDQZIOGBGSTO-VXGBXAGGSA-N 292.354 3.511 30 20 CHED CCc1cccc2c1OC/C(=C\c1ccc(C#N)s1)C2=O 794728294 OEOZNDCIZXPEJQ-XYOKQWHBSA-N 295.363 3.841 30 20 CHED COCc1ccc(/C=C2\COc3cc(F)ccc3C2=O)cc1 794728669 TWXKRTKHGOCCII-RIYZIHGNSA-N 298.313 3.631 30 20 CHED COc1ccc(NN=Cc2cn(C)c3ccc(F)cc23)cc1 794857976 OBOQZGHMVCKKPD-UHFFFAOYSA-N 297.333 3.772 30 20 CHED CC(C)C1CCC(C=NNCCC(F)(F)F)CC1 794935156 FMTARPKPRBPGDV-UHFFFAOYSA-N 264.335 3.977 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C[C@@H]1CCCSC1 794936674 DGTWPCDGFJVAMM-JTQLQIEISA-N 298.843 3.794 30 20 CHED C=CCNN=Cc1cccc(Oc2ccccc2)c1 794993149 QRJTUJILRYFOBE-UHFFFAOYSA-N 252.317 3.588 30 20 CHED CSc1ccc(C(C)=NNc2ncccc2F)cc1 794994017 RCDYQGDJEVAOID-UHFFFAOYSA-N 275.352 3.779 30 20 CHED FCCC[C@@H]1CCCC1=NNc1cccc(F)n1 795010083 WCWACSAEJGUKGO-JTQLQIEISA-N 253.296 3.538 30 20 CHED CON(CC#Cc1ccc(Cl)cc1)CC(C)(C)C 796469229 MHWHSWYHMWTZPW-UHFFFAOYSA-N 265.784 3.601 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1cccc(Cl)c1 796891096 RBDXLIDOFGFKPL-YGRLFVJLSA-N 265.740 3.884 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CC[C@@H]2CCC[C@H]2C1 797960101 IRAGQCNTXZEURM-RWMBFGLXSA-N 273.332 3.585 30 20 CHED C=CC[C@H](CC)NC(=O)C(F)(F)c1cccc(Cl)c1 798554089 LXYZFTSFOKJIPD-LBPRGKRZSA-N 287.737 3.903 30 20 CHED C#C[C@H](NC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(C)C 799047925 PKXIQDPLOOOJDM-CJNGLKHVSA-N 291.822 3.683 30 20 CHED C#C[C@H](NC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21)C(C)C 799048178 YQZGPZUKAPCOTO-VYDXJSESSA-N 283.415 3.750 30 20 CHED FC(F)C1CCC(=NNc2cc(Cl)ccn2)CC1 799485405 OILRYFMWGPXFPY-UHFFFAOYSA-N 273.714 3.958 30 20 CHED C[C@H](C#N)OCCN[C@@H](c1ccccc1)C1CCCCC1 801935481 FSQXWXDSEALWSR-QAPCUYQASA-N 286.419 3.826 30 20 CHED CCCCC[C@H](NCCO[C@H](C)C#N)c1ccccc1 801937863 XKNVBMVUIMEILA-WBVHZDCISA-N 274.408 3.826 30 20 CHED CCCCCOc1ccc(OCCO[C@@H](C)C#N)cc1 802725407 SEAQEEVDLSTVBE-AWEZNQCLSA-N 277.364 3.563 30 20 CHED C#C[C@@H](NC(=O)C1(F)CCCC1)c1ccc(Cl)cc1F 804416784 SGTBFNYLCQDDLE-CYBMUJFWSA-N 297.732 3.552 30 20 CHED C=CCCCCCCNC(=O)[C@@H](F)c1ccccc1 805221601 RXBFUKAYDQWQII-HNNXBMFYSA-N 263.356 3.950 30 20 CHED CC(C)n1cc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)nn1 806573348 IHZGDYVAMIGQHJ-SLVCOGOPSA-N 293.370 3.559 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C)c1ccc(F)cc1F)C(C)(C)C 807883253 JTGGLVZJAGFYLJ-ABAIWWIYSA-N 293.357 3.623 30 20 CHED Fc1ccc(CON=Cc2ccc(C(F)(F)F)[nH]2)cc1 807983112 XIMNUFFVSIWUTR-UHFFFAOYSA-N 286.228 3.723 30 20 CHED CCO[C@@H]1CC(=NNc2c(C)cccc2CC)[C@H]1SC 807987456 GPKJOCSBCUUHQB-GDBMZVCRSA-N 292.448 3.866 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=Cc1sccc1C 807990675 CSIHRHGAUZEYFR-UHFFFAOYSA-N 275.333 3.719 30 20 CHED Fc1ccc(C=NNCC2CCCC2)c(Cl)c1 808007163 SGNSAASRADKDAA-UHFFFAOYSA-N 254.736 3.593 30 20 CHED C=CCCCCCCNCc1c(O)cccc1OC 808419575 UEDLHKVLCWEAQV-UHFFFAOYSA-N 263.381 3.627 30 20 CHED C#CCOc1ccccc1NC(=O)N(CC)C(CC)CC 808846492 XTHNDUNBLIVZIK-UHFFFAOYSA-N 288.391 3.741 30 20 CHED CC[C@@H](SC)C(=O)Oc1cc(C)c(C#N)c(C)c1C 809037880 LBJINBTXXNJMJL-CQSZACIVSA-N 277.389 3.531 30 20 CHED Cc1ccc(C(C)C)c2c1C(=O)/C(=C/c1cnccn1)CO2 809157877 OPJNQLSTHWPOKC-MDWZMJQESA-N 294.354 3.567 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2ccc(C)s2)cc1 809609295 GSQPSUYWCPMPJE-ZDUSSCGKSA-N 255.386 3.889 30 20 CHED C#Cc1ccc(CNCc2c(F)cc(F)c(F)c2F)cc1 809656494 DJRJXTKRFDEJGH-UHFFFAOYSA-N 293.263 3.514 30 20 CHED C#C[C@@H](C)NCc1ccc(-c2ccc(Cl)cc2)o1 809683889 JQKVNSOADBXRHB-LLVKDONJSA-N 259.736 3.711 30 20 CHED Cc1ccc2sc(C(=O)OC3(C#N)CCC3)cc2c1 810623858 HRSOTAWTCSMHMG-UHFFFAOYSA-N 271.341 3.813 30 20 CHED CCc1ccccc1NN=C1CCc2ccc(C#N)cc21 811637746 JGYUPUDTWIDTKN-UHFFFAOYSA-N 275.355 3.883 30 20 CHED CC1(C)C(=NNC[C@H]2CCSC2)C[C@H]1c1ccccc1 811659545 XWLBTDJEPLDECU-HIFRSBDPSA-N 288.460 3.899 30 20 CHED CCOC(=O)c1ccc(NN=C(C)CC2CC2)cc1C 812229605 MRVRUNZEMPFQRQ-UHFFFAOYSA-N 274.364 3.760 30 20 CHED CC(C)OCCON=Cc1ccc(-c2ccccc2F)o1 812237867 NDSRHTFLMGCUSW-UHFFFAOYSA-N 291.322 3.861 30 20 CHED Fc1cccc(NN=C2COc3ccc(Cl)cc32)c1 814815063 LSGDQEICCKULIN-UHFFFAOYSA-N 276.698 3.688 30 20 CHED CC(Cc1ccc(O)cc1)=NNc1cc(C)ccc1F 814872277 IXIFQOOOZVUYNU-UHFFFAOYSA-N 272.323 3.870 30 20 CHED C=CCC(F)(F)C(=O)N1CCc2ccccc2[C@@H]1C(C)C 815821652 CPQPKKGVJQPZKI-HNNXBMFYSA-N 293.357 3.980 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1O 816594067 OEPNYLZDLWQEGQ-NSHDSACASA-N 269.747 3.725 30 20 CHED C=C(CC)CNC[C@@H](O)c1ccc(Cl)cc1Cl 819357653 UQHUIXGMQNXTST-CYBMUJFWSA-N 274.191 3.583 30 20 CHED C[C@@H](C=NNc1cc(Cl)nc(Cl)c1)CCC#N 819828920 UYGHCTWOERPHML-MRVPVSSYSA-N 271.151 3.726 30 20 CHED C=CCN(CCc1ccco1)Cc1ccnc(Cl)c1F 824120250 WTPDIGNSGYMZMS-UHFFFAOYSA-N 294.757 3.698 30 20 CHED CC(C)N(Cc1cccs1)C(=O)C#Cc1cccs1 825405907 UUHQULOQABRWHS-UHFFFAOYSA-N 289.425 3.598 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 833361655 GDSBZJVAIPKUPM-UHFFFAOYSA-N 293.750 3.560 30 20 CHED C=CCCc1noc(Cc2c[nH]c3cc(C)ccc23)n1 834814714 PKRDRYDMWZUVNG-UHFFFAOYSA-N 267.332 3.569 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cc(F)cc(F)c1O 834882475 AXIRRYDOKVWHKL-VIFPVBQESA-N 255.308 3.533 30 20 CHED CCCC(=NNc1ncncc1Cl)C1CCCC1 834973040 RXGPMGFFOZJYQB-UHFFFAOYSA-N 266.776 3.888 30 20 CHED C[C@@H]1CC(=NNc2ccc(C(C)(C)C)cc2)c2nccn21 834974224 WGBOTSCNJDZOFJ-GFCCVEGCSA-N 282.391 3.962 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NOC(C)C 834999700 DQBCHUKQQIDDNX-GDBMZVCRSA-N 261.365 3.750 30 20 CHED C=CC[C@@H](C)C(C)=NNc1ccc(C(=O)O)c(F)c1 835009859 FZRDBSRDMSXPMJ-SECBINFHSA-N 264.300 3.524 30 20 CHED COc1cc(COC(=O)CCCCCC#N)ccc1Cl 835767106 LHASEZRRYIKNKM-UHFFFAOYSA-N 295.766 3.866 30 20 CHED C[C@@]1(CC(=O)Nc2cccc(CC#N)c2)CC1(Cl)Cl 837074089 YOUNXBCFWNXDOO-CYBMUJFWSA-N 297.185 3.665 30 20 CHED O=C(C#CC1CC1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 837396754 LMSSUZXDPPACFL-QGZVFWFLSA-N 287.790 3.711 30 20 CHED N#CC1(COC(=O)c2nc(-c3ccccc3)cs2)CCC1 837430594 XZXBIQUDVJMYLM-UHFFFAOYSA-N 298.367 3.661 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C#CC2CC2)cc1 837439416 FYZQXYFUAUSBBQ-QZTJIDSGSA-N 281.399 3.503 30 20 CHED O=C(C#CC1CC1)Nc1ccc2nc(C(F)F)sc2c1 837642695 ATDYMGPJJIHISE-UHFFFAOYSA-N 292.310 3.586 30 20 CHED CCCCS[C@H](C)C(=O)O[C@H]1CCC[C@H](C#N)C1 839048114 LEJCSBDUYQEPMC-AGIUHOORSA-N 269.410 3.534 30 20 CHED CSCCCSCc1ccc(OCC#N)cc1 840212728 FCMOCMJNOPIAKS-UHFFFAOYSA-N 267.419 3.575 30 20 CHED Cc1cc(F)c(C=NN[C@@H](C)C(F)(F)F)c(Cl)c1 841641270 WCTMVKBRWOTMCJ-ZETCQYMHSA-N 282.668 3.662 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc(Cl)cc1O 841759232 XKIXNPVKLYNLCO-JTQLQIEISA-N 266.772 3.636 30 20 CHED CCCCCCCn1nc(C)cc(C(F)(F)F)c1=O 842593224 VVLIGVIOBNGPGK-UHFFFAOYSA-N 276.302 3.541 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc3c2OC(C)(C)C3)no1 844550315 MKVMWBAFUGFQHF-BQYQJAHWSA-N 283.327 3.593 30 20 CHED C=C(C)CONC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 846536004 PFJSYENGNNHMOJ-LBPRGKRZSA-N 281.783 3.533 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(C)[C@H](C#N)CC 847168673 PNHAJEXNHNXIFZ-KGLIPLIRSA-N 252.402 3.744 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O[C@@H]3CCOC3)cc2)o1 849244239 WNUURULVLVKAIL-KQQSKNTNSA-N 298.338 3.652 30 20 CHED COc1ccc(NCC2(CC#N)CC2)cc1SC 849317479 QVLZJQWFOAEWBF-UHFFFAOYSA-N 262.378 3.523 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1ccc(Cl)c(F)c1 851204730 UIUUGJLRDSIUQA-SNVBAGLBSA-N 297.757 3.893 30 20 CHED Cc1ccc(OCC(=O)O[C@@H](C)CC(C)(C)C#N)cc1C 851214652 URLZGGQJPPWWCL-AWEZNQCLSA-N 289.375 3.554 30 20 CHED CC[C@H](C)c1ccc(NC(=O)CN(C2CC2)[C@@H](C)C#N)cc1 852480041 MHGPHVAXNULJSO-KBPBESRZSA-N 299.418 3.515 30 20 CHED CCCn1nccc1/C=C1/C(=O)c2ccccc2C1(C)C 853003898 DZQJMSASXFTLSA-VBKFSLOCSA-N 280.371 3.851 30 20 CHED C/C(=C\C(=O)OCC1(C#N)CCCC1)c1cccs1 857015609 DATDZAHGIJQOIO-FMIVXFBMSA-N 275.373 3.779 30 20 CHED C=CCCC(CCC)=NNc1ncc(Cl)cn1 857220302 FKVKRHMZKIHXOG-UHFFFAOYSA-N 252.749 3.664 30 20 CHED C=CC(C)(C)CC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 880088045 XGOPKDJHEUQIRL-HNNXBMFYSA-N 272.392 3.593 30 20 CHED CC(C)n1cc(Cl)c(NCC(C)(C)CCC#N)n1 886366980 DNESIPKKKQADHN-UHFFFAOYSA-N 268.792 3.859 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2ccon2)cc1 886958282 PXPNJCUYWFADGW-UHFFFAOYSA-N 282.343 3.864 30 20 CHED C=C1CCC(C(=O)N(CC)[C@@H]2CCOC(C)(C)C2)CC1 890993212 DVAPHRJKPLBUOV-OAHLLOKOSA-N 279.424 3.539 30 20 CHED COc1cc(C#N)ccc1Oc1cc(C)nc(C2CCC2)n1 891484490 HBFUCPLXGPGLIB-UHFFFAOYSA-N 295.342 3.725 30 20 CHED C=CCN(Cc1ccccc1F)Cc1cn(C)nc1C1CC1 891781871 LNRRGDWYGRCPFH-UHFFFAOYSA-N 299.393 3.625 30 20 CHED CCS[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2CO)C1 892813012 PMYKTPIUSXBBBE-LSDHHAIUSA-N 290.432 3.527 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)CCc2c(O)cccc21 899360714 OFWJUYIYTIWVPP-UKTHLTGXSA-N 294.354 3.526 30 20 CHED CS[C@@H]1CCCC(=NNc2ccc(C#N)cc2)C1 901167468 PYGTXDPJSYOPQH-CQSZACIVSA-N 259.378 3.632 30 20 CHED N#CC1(CCCCOc2ccc(C=O)c(F)c2)CCC1 901571603 DOZFKZDQORDWRG-UHFFFAOYSA-N 275.323 3.881 30 20 CHED N#CN(CCCCC1(C#N)CCC1)c1cccc(F)c1 902739293 UAHNWZSXOUJVPH-UHFFFAOYSA-N 271.339 3.977 30 20 CHED Cc1cc([C@H](C)NCC2(C#N)CC2)sc1Br 903106268 NQPLENOKYLPQON-VIFPVBQESA-N 299.237 3.773 30 20 CHED C=CCCCCCN1[C@@H](C)[C@H](C(=O)O)[C@@H](C)C[C@H]1C 903950553 QRGCUEOLALSSJQ-LJISPDSOSA-N 267.413 3.552 30 20 CHED CC1(CCC(=O)N(CC#N)c2ccc(Cl)cc2)CC1 905973282 IAPZTCBEQCIGHV-UHFFFAOYSA-N 276.767 3.777 30 20 CHED CC(=NNc1cc(C)ccc1C)c1scnc1C 915111350 HGCRSNKFMCXNSL-UHFFFAOYSA-N 259.378 3.904 30 20 CHED CCCNN=Cc1ccc(N(C)c2ccccc2)cc1 915965473 JOSGTCCDONCWRX-UHFFFAOYSA-N 267.376 3.788 30 20 CHED Cc1ncc(COc2nc3c(cc2C#N)CCCCC3)s1 918681387 JPEJMMOLYORQMG-UHFFFAOYSA-N 299.399 3.566 30 20 CHED CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCCCCC1(C#N)CCC1 930628535 NNVLOSDHNYGQLP-XHSDSOJGSA-N 290.451 3.644 30 20 CHED C=CCn1cnnc1S[C@@H](C)CCc1ccccc1 1115862455 RFGLLVNZFSWEPI-ZDUSSCGKSA-N 273.405 3.578 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1ccncc1 1121098642 GYCQKIJNWQDAKC-ZWKOTPCHSA-N 298.430 3.780 30 20 CHED C[C@@H](CN(C)c1cccc(C#N)n1)C1CCCCC1 1163890947 NAOHJYXIRDDGED-ZDUSSCGKSA-N 257.381 3.606 30 20 CHED CCOc1ccc(CNc2nc(C#N)c(Cl)s2)cc1 1185017711 OIUHOIQYHNVCJF-UHFFFAOYSA-N 293.779 3.679 30 20 CHED Cc1ccc(S[C@H](C)c2cccc(C#N)c2)nn1 1188830805 MEEDAJCHNFEQPJ-LLVKDONJSA-N 255.346 3.510 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1c(C)cc(F)cc1C 1189287020 YAULGVYERFBLFV-UHFFFAOYSA-N 298.317 3.575 30 20 CHED CCN(CCc1ccc(C#N)cc1)c1cccc(C)c1 1191655750 QBSWJKAJPKWBJJ-UHFFFAOYSA-N 264.372 3.936 30 20 CHED C=C(CNC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1211226348 MHPAQPCJAZRXSL-MXSMSXNCSA-N 298.430 3.824 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)CC#Cc1ccccc1 1252951765 XRFVETDDOVMUFJ-IRXDYDNUSA-N 269.388 3.513 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)C1=CCCC1)c1cccs1 1263523866 ACHQVBFUGLAKHD-SMDDNHRTSA-N 275.373 3.992 30 20 CHED CC(C)CN(C[C@@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1 1307551809 MLUIMHQLMQDHNE-PBHICJAKSA-N 272.392 3.588 30 20 CHED C[C@H]1CCCN(Cc2cc(C#N)ccn2)c2ccccc21 1307667411 UUAFMSFRZVCNMW-AWEZNQCLSA-N 277.371 3.857 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1Br)C1CCC1 1308362810 SVKOCRPIUHXHDZ-SNVBAGLBSA-N 293.208 3.599 30 20 CHED CCC(CC)SCCC(=O)Nc1cccc(C#N)c1 1319244182 JGSPKEBUEYXXCT-UHFFFAOYSA-N 276.405 3.809 30 20 CHED Fc1ccc(/C=C/C=NNCc2ccc(F)cc2)cc1 1319592111 QGCPKTHAXVOFEP-CAZBMPHGSA-N 272.298 3.754 30 20 CHED C=CCN(C(=O)C(F)(F)c1ccc(Cl)cc1)C1CC1 1320090062 RDMSXUGMAWHAEM-UHFFFAOYSA-N 285.721 3.609 30 20 CHED C=CCCCc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 1320212870 OUNTZCYZMGTRAI-UHFFFAOYSA-N 287.319 3.770 30 20 CHED CC(C)(C)[C@H](NC(=O)CC#Cc1ccccc1)C(F)(F)F 1323875549 GIGWLDLULZQGNX-AWEZNQCLSA-N 297.320 3.521 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)c1csc(C#N)c1 1324643626 DKLITVLWPABLRX-INIZCTEOSA-N 296.395 3.906 30 20 CHED Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1C#N 1327030845 DKLABKQFOQZBJD-ZBFHGGJFSA-N 282.387 3.519 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCOC3(CCCCC3)C2)c1 1333671178 PXYFUNHYRWWJBB-CQSZACIVSA-N 285.391 3.556 30 20 CHED N#Cc1ccsc1NC(=O)N(C1CCCC1)C1CC1 1333712757 NLAGECVCUFDYQG-UHFFFAOYSA-N 275.377 3.559 30 20 CHED C=C(C)CCC(=O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O 1335846051 QHTUQNBLGSYYID-JKSUJKDBSA-N 291.435 3.873 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC(F)F)c(OC)c1 1337291852 FDZZDMHRIVDNAQ-UHFFFAOYSA-N 285.290 3.591 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2cc(C)c(C)cc2o1 1339068001 SMPCGMSEEAJSPR-AWEZNQCLSA-N 284.359 3.814 30 20 CHED N#C[C@H](C(=O)C[C@@H]1CCc2ccccc21)c1cccc(F)n1 1342641027 KXBINQSKCDYDER-ZFWWWQNUSA-N 294.329 3.517 30 20 CHED CC[C@H]1CC[C@H](C(=O)[C@H](C#N)c2cccc(F)n2)CC1 1342675792 RGQCFNAYVZHQND-JHJVBQTASA-N 274.339 3.613 30 20 CHED N#Cc1cccc(-c2nnc(/C=C\C3CCCC3)o2)c1 1346663197 SXVSMLHHGWOQGD-HJWRWDBZSA-N 265.316 3.812 30 20 CHED Cc1ccccc1C1(C(=O)O[C@H]2CC[C@@H](C#N)C2)CCC1 1347169391 CUWCJXRWHWQRIX-CABCVRRESA-N 283.371 3.652 30 20 CHED Cc1cccc([C@H](O)CN[C@H](CCC#N)c2ccccc2)c1 1352737257 LARRQRRAQOPBHO-RTBURBONSA-N 294.398 3.663 30 20 CHED C=CC[C@@H]1CCCN(c2nnc([C@H](C)SC)n2CC)C1 1356427138 BMBCXZPUSIAOQP-QWHCGFSZSA-N 294.468 3.515 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2cc(C)cc(C#N)c2)cc1 1436715511 RLTVTTUUMQAMJO-OAHLLOKOSA-N 292.382 3.992 30 20 CHED CCCN(CC1CCCCC1)c1cc(C#N)nc(CC)n1 1458117454 AEKLTYGLOORLRS-UHFFFAOYSA-N 286.423 3.707 30 20 CHED C[C@H](OC(=O)c1oc(C2CC2)nc1C(F)F)C(C)(C)C#N 1517457457 IOWBFPYLALXQFR-ZETCQYMHSA-N 298.289 3.585 30 20 CHED CCCCCC(C)(C)CNc1ccc(C(=O)O)nc1C#N 1605255721 ZJFMBEIOBSINOY-UHFFFAOYSA-N 289.379 3.670 30 20 CHED C=C(C)C[C@@H](C)c1nc(-c2cccc(C(=O)O)c2)no1 1609226243 JWRKQQLZLKPOKY-SNVBAGLBSA-N 272.304 3.505 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2cccc(C#N)n2)CC1 1621127086 RCXCMCYXSNUJRB-AWEZNQCLSA-N 271.408 3.601 30 20 CHED C[C@@H]1CCC[C@H](N(C)CCc2ccc(C#N)cc2)C1 1644434403 OODAIWULANTTJG-PBHICJAKSA-N 256.393 3.611 30 20 CHED C=C(Br)CN1CCc2cc(Cl)ccc21 1648553868 PQDAMNJTQNMTBY-UHFFFAOYSA-N 272.573 3.611 30 20 CHED CCCc1ccccc1Nc1ncc(C#N)cc1F 1651339236 NHQLNOPCMYBGQE-UHFFFAOYSA-N 255.296 3.788 30 20 CHED CC[C@H]1CCC[C@@H]1CNc1c(C#N)nnc2ccccc12 1651861448 ZEBSZMMVBOFLGC-QWHCGFSZSA-N 280.375 3.740 30 20 CHED Cc1nc(C#N)cc(NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 1655058450 QBWOQZJAWKMESV-NOLJZWGESA-N 286.423 3.777 30 20 CHED N#Cc1cc(CN2CC[C@@H]2c2ccc(F)cc2)ccc1F 1659356600 LRPVBXRHWWNDEW-QGZVFWFLSA-N 284.309 3.783 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1sccc1C#N 1673279322 SGRNGOYLQCCBDA-CMPLNLGQSA-N 277.393 3.710 30 20 CHED O=C(O)c1ccccc1NN=C1CC2(CCCC2)C1 1776031592 OAOIGGXYUFILTO-UHFFFAOYSA-N 258.321 3.507 30 20 CHED CC(C)(C)C1CC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776075633 UVXKYKAIYPZHFH-UHFFFAOYSA-N 278.327 3.748 30 20 CHED Cc1c(NN=CCCC(C)(F)F)cccc1C(=O)O 1776088984 VGAGFIMNKVXIKZ-UHFFFAOYSA-N 270.279 3.526 30 20 CHED C=C[C@@H](C)ON=C(C)c1ccc(-c2ccc(C(=O)O)o2)cc1 1776090615 QVJUGXYMGCPIAX-LLVKDONJSA-N 299.326 3.960 30 20 CHED C=C(C)CN(CC)[C@@H](C(=O)O)c1ccc(F)c(Cl)c1 1776140159 BSZCVWYVQXWJMX-CYBMUJFWSA-N 285.746 3.503 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCC(C)(C)CC)C1 1776153049 FUHFSTDCEBPMIX-MRXNPFEDSA-N 267.413 3.556 30 20 CHED C=CCNC(=S)Nc1ccccc1Cc1ccccc1 6295828 DLZNFUXILJAUBN-UHFFFAOYSA-N 282.412 3.750 30 20 CHED N#Cc1ccc(COc2ccc(C#N)cc2Cl)cc1 7855738 KKMIJOZPEJAGHG-UHFFFAOYSA-N 268.703 3.662 30 20 CHED C=C(C)CSc1nnc(-c2cccs2)n1CC 41098892 NWMKMGFFZMRWSF-UHFFFAOYSA-N 265.407 3.695 30 20 CHED N#Cc1cccc(CNCc2ccc(Cl)c(F)c2)c1 43389789 ULVCCTAJYPUDQT-UHFFFAOYSA-N 274.726 3.641 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccccc2)cc1 45944695 CTOACUMJKMACDW-OAHLLOKOSA-N 265.356 3.549 30 20 CHED Cc1c(C(=O)[C@@H](C#N)c2ccccn2)oc2ccccc12 46439450 KLRJNTNRAHTMLX-ZDUSSCGKSA-N 276.295 3.626 30 20 CHED CSc1ccc(C)c(C(=O)[C@@H](C#N)c2ccccn2)c1 48540429 XEFIIFXCJBVXJH-AWEZNQCLSA-N 282.368 3.602 30 20 CHED N#Cc1cc(NC(=O)CCC2CCCC2)ccc1F 51637504 AUPORYVAPKDDED-UHFFFAOYSA-N 260.312 3.606 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc(F)c(Cl)c2)n1 53158201 ACXMFTLIEJOBPF-UHFFFAOYSA-N 289.741 3.975 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C 66414634 IUWWJAKMINFDSP-RHSMWYFYSA-N 284.403 3.528 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)c2ccccc2)cc1 69526037 BZZCMWNUKOYIOK-UHFFFAOYSA-N 294.354 3.646 30 20 CHED CCC(CC)n1ccc(CN(CC#N)C2CCCC2)n1 69994590 HOUVFHFTRCSGDW-UHFFFAOYSA-N 274.412 3.512 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)CCCSCC#N 74990817 MCVNQLDCFVOULN-INIZCTEOSA-N 276.449 3.962 30 20 CHED N#Cc1ccc(N2CCC(Cc3cccc(F)c3)CC2)nc1 76841279 PDGFFJBKWFAGSJ-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C=CCCC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 78481090 DOJMAGWHSRETQS-DLBZAZTESA-N 271.404 3.870 30 20 CHED C=CCN(C(=O)[C@H](C)CCC)c1nc2c(s1)CCCC2 78714828 GLIKCBHGKOXNIK-GFCCVEGCSA-N 292.448 3.977 30 20 CHED Cc1csc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)n1 80272924 STYULAPMZVRIEW-RYUDHWBXSA-N 271.389 3.735 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2ccncc2)c1 83202090 FZAJVMCYLAKPAD-VOTSOKGWSA-N 267.328 3.767 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(SC)c(OC)c1 90883948 JPOAZZOLWDZQAJ-ZDUSSCGKSA-N 295.448 3.660 30 20 CHED C=CCN(C(=O)OC(C)(C)C)[C@H](CN1CCCC1)C(C)C 91692627 ZFQLEKIHOKKTDJ-OAHLLOKOSA-N 296.455 3.530 30 20 CHED CCCN(CC#N)Cc1nc2ccccc2c(C)c1Cl 104675930 UODCHYNOJSMYJS-UHFFFAOYSA-N 287.794 3.932 30 20 CHED CSc1ccsc1C(=O)Oc1ccc(C#N)cc1 107083584 KGTHCHDKQIFHFZ-UHFFFAOYSA-N 275.354 3.561 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@@H](c2ccccc2)C1 111036589 LWUGTLVVEPGHCR-CQSZACIVSA-N 266.319 3.691 30 20 CHED CCCCCC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 114619288 CQXNUWRYBCYVLZ-ZDUSSCGKSA-N 299.399 3.962 30 20 CHED O=C(/C=C/c1csc(-c2cccs2)n1)c1cnccn1 115962679 LHDQFJNXZAOGSF-ONEGZZNKSA-N 299.380 3.558 30 20 CHED COc1cc(/C=C/C(=O)c2occc2C)cc(OC)c1 119039546 WXYCETOQQCNXIO-SNAWJCMRSA-N 272.300 3.501 30 20 CHED C#CCCCCC(=O)N1CCSc2ccc(Cl)cc21 120585484 JMYDINHGXFIZGJ-UHFFFAOYSA-N 293.819 3.972 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)C1(C#N)CCC1 121098914 AYSIUQVSJLJIDU-MRXNPFEDSA-N 284.403 3.892 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccc(Br)s1 121607141 BNNODYRPYIVIJE-CYBMUJFWSA-N 299.642 3.512 30 20 CHED C=C[C@@H](CC(=O)NCC1(CC)CC1)c1ccccc1 121696401 VVRCVTKXNBQMNC-AWEZNQCLSA-N 257.377 3.653 30 20 CHED C=CCC(CC=C)C(=O)N1c2ccccc2C[C@H]1C 121837972 DLTUPENTNLFXHB-CYBMUJFWSA-N 255.361 3.733 30 20 CHED CC(C)[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 122421015 QIPHPKWKEOGJFL-HOTGVXAUSA-N 286.419 3.871 30 20 CHED COc1ccc(CN(C)[C@@H](C)c2ccccc2F)cc1C#N 125022820 YVVCXVKSHVEHPN-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)Cc1ccccc1F 126023441 MDBLMGQLEIIPCG-CYBMUJFWSA-N 275.367 3.641 30 20 CHED COC(=O)c1cc(/C=C2/C[C@H](C)c3ccccc3C2=O)c[nH]1 131151875 XMRAHEBOLOEERO-LFTLCWSBSA-N 295.338 3.575 30 20 CHED CC(=O)c1ccc(OCCCC(C)(C)C#N)c(C)c1 134842034 GJUVHGUBBIJWCP-UHFFFAOYSA-N 259.349 3.906 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1ccccc1F 135668107 ONHINYLAEKCJGF-SNVBAGLBSA-N 260.337 3.610 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)CCSCC)c1ccccc1 136850410 XAPVQYFXUGEHBN-HUUCEWRRSA-N 291.460 3.994 30 20 CHED C=CCCOCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 145128052 KGCVSZXQUSTXMO-UHFFFAOYSA-N 293.366 3.789 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1C#N 154379391 VMXPEJDZTAUQDE-OLZOCXBDSA-N 282.368 3.670 30 20 CHED CCCCCCCC(=O)N1CCSc2ncccc21 154564230 WKWBBOAVERIWKO-UHFFFAOYSA-N 278.421 3.881 30 20 CHED C=CCn1c(SC(C)C)nnc1-c1ccc(C)cc1 154666291 MFAUKXOVJXUDRC-UHFFFAOYSA-N 273.405 3.940 30 20 CHED COc1ccccc1NCc1ccc(O[C@@H](C)C#N)cc1 155342424 KDTWXCYUBIOUHD-ZDUSSCGKSA-N 282.343 3.598 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OC(C)(C)C)cc1 157483692 XMUZSOGAUXGAOY-UHFFFAOYSA-N 262.353 3.514 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1ccc(OC(F)F)cc1 157649202 WDRZWUFRTQXXTR-NEPJUHHUSA-N 282.334 3.831 30 20 CHED Cc1ccc(C)c(N2CCN(CCCC(C)(C)C#N)CC2)c1 164637273 SOKZJNDFSZPUAQ-UHFFFAOYSA-N 299.462 3.755 30 20 CHED C=C(Br)CN[C@@H](C)CCCC(F)(F)F 166695904 TXKIUMRMJFKJLF-QMMMGPOBSA-N 274.124 3.606 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 166999350 OMQZQJZGPMVIHY-OCCSQVGLSA-N 291.376 3.553 30 20 CHED N#Cc1ccc(NCCc2ccco2)c(Br)c1 168546665 VJECRPJBYCSNDA-UHFFFAOYSA-N 291.148 3.568 30 20 CHED O=C1/C(=C/c2cccnc2Cl)Cc2ccccc21 171349489 OUQQWHNVCNSIOB-FMIVXFBMSA-N 255.704 3.557 30 20 CHED C=CCCCCCN(C)C(=O)Cn1c(C)nc2ccccc21 172465354 JLXZJNFRFZQGDQ-UHFFFAOYSA-N 299.418 3.550 30 20 CHED C=CCCCCCN(C)c1ncccc1-c1nc(C)no1 172762725 WZECNLQVLPORJQ-UHFFFAOYSA-N 286.379 3.623 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1ccccc1C 173039798 LLUUDAIAUFLOJY-UHFFFAOYSA-N 293.370 3.941 30 20 CHED CC(C)(C#N)CCCN1CCO[C@@H](c2ccc(F)cc2)C1 174816297 JYOCOWWOWALZFB-MRXNPFEDSA-N 290.382 3.529 30 20 CHED N#Cc1csc(C(=O)OC[C@H]2CCc3ccccc32)c1 176481261 RZPQFTOPQZOVRL-CYBMUJFWSA-N 283.352 3.507 30 20 CHED C=CCN(CC=C)C(=O)c1cnn([C@@H](C)CC)c1C1CC1 179451794 OSBRWWYHVMLJEJ-ZDUSSCGKSA-N 287.407 3.546 30 20 CHED CC(C)(C#N)COC(=O)/C=C/c1cnc(C(C)(C)C)s1 180134429 OZFFDILVNPVPKK-VOTSOKGWSA-N 292.404 3.547 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)cc1Br 181503243 DHRMJLHEYJDVJN-UHFFFAOYSA-N 297.196 3.797 30 20 CHED Cc1cc(C)cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 182077692 HQRGUIONFQQGSY-AWEZNQCLSA-N 294.354 3.847 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H](C)c1nccs1 184230142 BJXFIRALZDKWTA-ZDUSSCGKSA-N 295.452 3.634 30 20 CHED C=CCCC(=O)Nc1sccc1C(=O)OC(C)(C)C 184454841 SZPGLCGTZRUZRK-UHFFFAOYSA-N 281.377 3.608 30 20 CHED CC#CCCCC(=O)Nc1cccc(Br)c1C 185421151 FTWFOVKRIARWPV-UHFFFAOYSA-N 294.192 3.890 30 20 CHED CCN(CC)Cc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 185762058 QSJRXHHXYAJMOK-LPHOPBHVSA-N 299.462 3.700 30 20 CHED C=CCCCC(=O)N1CC[C@H](c2c(F)cccc2F)C1 186185782 LFSSCEZIZIYLLW-LBPRGKRZSA-N 279.330 3.637 30 20 CHED Cc1csc(C(C)(C)NCc2ccc(C#N)cc2C)n1 186294826 WQUHHYAYIFMBPJ-UHFFFAOYSA-N 285.416 3.657 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(C2CCC2)cc1 188862535 LFGTXQYQGVNGDU-ZDUSSCGKSA-N 270.376 3.576 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc(C#N)c(F)c1 190395848 KLDSPTMONHQWQZ-LBPRGKRZSA-N 295.317 3.600 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NCc1cc(C#N)n(C)c1 190883206 BHFUNDFFKKHHHV-OAHLLOKOSA-N 295.430 3.743 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2ccccc2)nc1 192200115 FQDODNHFLHKOPT-UHFFFAOYSA-N 280.327 3.616 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(Cl)cn1 193063783 VVTCYMQAMWJCIV-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C=CCN(CC=C)C(=O)[C@H](CCC)c1ccccc1 193166756 ZWNHTYJDCKNKKD-MRXNPFEDSA-N 257.377 3.771 30 20 CHED C=CCSCCNC(=O)C(C)(C)c1ccc(Cl)cc1 194476969 YNOXPRXKEQQUCY-UHFFFAOYSA-N 297.851 3.653 30 20 CHED O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccsc1 194615735 UYSSHZVFZRRIOO-AATRIKPKSA-N 259.286 3.552 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OC(C)C)cc1F 194640705 YIWGLIJYWRUOCP-UHFFFAOYSA-N 292.354 3.819 30 20 CHED Cn1nccc1/C=C\C(=O)c1ccc(Cl)cc1Cl 210493086 OPLDHHQCIUQYBK-HYXAFXHYSA-N 281.142 3.623 30 20 CHED C[C@H](C#N)CNCC(c1ccccc1)c1ccccc1 220115166 MEYPMLOSDHPRAJ-OAHLLOKOSA-N 264.372 3.568 30 20 CHED CN(Cc1ccco1)c1ccc(Br)cc1C#N 227635028 BPYOKSWBUDCGAM-UHFFFAOYSA-N 291.148 3.550 30 20 CHED C[C@@H](CC(=O)Nc1ccccc1)Nc1ccc(CC#N)cc1 237321570 BYLKLZLIMXDMHS-AWEZNQCLSA-N 293.370 3.582 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)[C@H]1c1ccccc1 245713147 GKGRSPJBXLNEKI-MLGOLLRUSA-N 268.385 3.813 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2CCCO[C@@H]2c2ccccc2)C1 248901653 UMDQWCDDANMXKH-XGXHKWSGSA-N 298.430 3.826 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)cc(C)c1O 255442488 NOOYCXPWVNDWLS-HYXAFXHYSA-N 286.302 3.750 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1cc2ccccc2o1 255778508 WFIWVRZJUONRAF-FPLPWBNLSA-N 267.284 3.934 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C(=O)O)c(C)cc1C 262552403 UBTGIGSETKZDAV-UHFFFAOYSA-N 287.359 3.709 30 20 CHED Brc1ccc(CON=C2CCC2)cc1 265450785 KLVGKDGCEZRDEP-UHFFFAOYSA-N 254.127 3.506 30 20 CHED N#CCC[C@H](NC(=O)C=C(C1CC1)C1CC1)c1ccccc1 269625672 SLCXGSBXBMWRIA-SFHVURJKSA-N 294.398 3.894 30 20 CHED C=CCCCCNC(=O)Nc1cc(F)c(OC)cc1C 274818275 AWZSDNAFTDITKC-UHFFFAOYSA-N 280.343 3.621 30 20 CHED CC(C)(C)[C@H]1CN(C(=O)NCCCC#N)c2ccccc21 278980558 CUYGZNGLHAQILA-AWEZNQCLSA-N 285.391 3.650 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccn(C(C)C)n1 280626746 ZLXNKPUXPUJSBC-UHFFFAOYSA-N 278.400 3.674 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc2ccccc2n1 280958584 YLCVLCDHCMGTIG-QOKNQOGYSA-N 296.414 3.867 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)c1c(F)cccc1F 281159930 WSQAWLGVWFHACY-GHMZBOCLSA-N 267.319 3.539 30 20 CHED C=CCCCSCCC(=O)Nc1ccccc1[N+](=O)[O-] 283530116 NTCYTBSGQVFIFL-UHFFFAOYSA-N 294.376 3.623 30 20 CHED C=CCN(C)C(=O)Nc1ccc(N2CCCCCC2)cc1 283715180 ZJOZZTPHLNVNCY-UHFFFAOYSA-N 287.407 3.717 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccco1 286045976 KUGOCDWFUZIGHB-FMKPAKJESA-N 274.408 3.502 30 20 CHED C=CC[C@H](C(=O)NCCSC(C)C)c1ccccc1 286548144 ANLDXTLFMBSOCF-HNNXBMFYSA-N 277.433 3.604 30 20 CHED C=CCCCCCCNC1CCN(c2ccccn2)CC1 287173000 USHWYOUNVIKHGA-UHFFFAOYSA-N 287.451 3.777 30 20 CHED COc1ccc2cc(NC(=O)N(C)[C@@H](C)CC#N)ccc2c1 287257365 PXBWJSJGHFDWIV-LBPRGKRZSA-N 297.358 3.614 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C1CC1)c1ccc(C#N)cc1 292884893 VCQLWPIDVWNSNB-GFCCVEGCSA-N 270.376 3.562 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 294349092 VGINWIVDLJCFLC-MRXNPFEDSA-N 285.387 3.897 30 20 CHED N#Cc1ccc(OC(=O)OC2CCCC2)cc1Cl 296227006 MYCPTUGNMLHAFF-UHFFFAOYSA-N 265.696 3.670 30 20 CHED C=CCCO[C@@H](C)C(=O)N(Cc1ccc(F)cc1)C(C)C 299351309 WFNMYDDJPBFWMV-AWEZNQCLSA-N 293.382 3.544 30 20 CHED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(C)(C)C#N 299654833 KRIBRKJVDXCPEC-SECBINFHSA-N 299.201 3.590 30 20 CHED Cc1ccccc1C(C)(C)CNc1nnc(C)c(C)c1C#N 301150646 OPMJIDFPOTVDGC-UHFFFAOYSA-N 294.402 3.663 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)c1ccc(Cl)c(C#N)n1 301503136 FVCHOUZZSHARRU-JTQLQIEISA-N 289.741 3.943 30 20 CHED C[C@H](C1CC1)N(C)c1cc(Br)c(C#N)cc1F 310311866 QUDMGNCHVAHEIU-MRVPVSSYSA-N 297.171 3.695 30 20 CHED Cc1nc(NCC[C@@H](C)c2ccccc2)ccc1C#N 312458182 KUGJZFALZYXYFB-CYBMUJFWSA-N 265.360 3.867 30 20 CHED N#Cc1ccc(NCc2cccc3cc[nH]c23)c([N+](=O)[O-])c1 317917941 OMGCZGMJSVBSEH-UHFFFAOYSA-N 292.298 3.560 30 20 CHED Cc1ncc(N=C(O)CC2CCCC2)c(C2CC2)n1 328801986 ZOMXKWVQUGCCIJ-UHFFFAOYSA-N 259.353 3.831 30 20 CHED C[C@@H]1CCC[C@](C#N)(/N=C(/O)[C@H]2CC23CCCC3)C1 328845199 XEIAHCORABPUAC-IOASZLSFSA-N 260.381 3.996 30 20 CHED C[C@H](CCC1CCCCC1)/N=C(/O)N[C@@H]1CCO[C@H](C)C1 329128785 ZTQXYDVKCAQFTK-IIAWOOMASA-N 296.455 3.807 30 20 CHED COC1CCC(CC/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 329469122 XHAYAPXBAKESOZ-FEWQNLEASA-N 295.423 3.544 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@@H](C(=N)O)C(C)C 330398974 SVZSERFKKLMVCT-LLVKDONJSA-N 297.424 3.514 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 330536207 PBKSFOKWIYQSNA-QGTPRVQTSA-N 298.430 3.797 30 20 CHED C=CC[C@H](C)/N=C(/O)Nc1ccc2c(c1)CC(C)(C)O2 330960893 JJCWYFFLCNFPFY-NSHDSACASA-N 274.364 3.691 30 20 CHED CCC[C@H](CC)/N=C(/O)Nc1c(C)cc(C)nc1C 331336839 QOSMHSXJJJMROO-ZDUSSCGKSA-N 263.385 3.911 30 20 CHED Cc1cccc([C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c1C 333605998 VXVYOTCEOJJCFG-DNVCBOLYSA-N 296.414 3.955 30 20 CHED Cc1nsc(C)c1C(=O)Nc1ccc(Cl)c(C#N)c1 336140827 NBQQFYRHUNJQHI-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(F)c1)c1cccs1 336457264 PICUQFSYLPCTKD-VIFPVBQESA-N 274.320 3.501 30 20 CHED Cc1nc(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)ccc1C#N 340630239 GFAUJKUKGXHYAY-ZBFHGGJFSA-N 299.418 3.596 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1nccc(C)c1C#N 343511979 NGUCBBLZTAOVMG-MLGOLLRUSA-N 299.349 3.589 30 20 CHED COc1ccc(C#N)cc1NCc1ccc2occc2c1 348126341 ZPAMHQASGKXSBT-UHFFFAOYSA-N 278.311 3.925 30 20 CHED C=CCN1CCC(N[C@@H]2CCCc3c(C)ccc(C)c32)CC1 349788221 KSUIXQVWCSXTPI-LJQANCHMSA-N 298.474 3.921 30 20 CHED CCSc1ccc([C@@H](C)NC(=O)CC(C)(C)C#N)cc1 353084791 PDYOJEYYEPYPBY-GFCCVEGCSA-N 290.432 3.916 30 20 CHED Cc1cc(Cl)c(C(=O)N(C)CC(C)(C)C#N)cc1C 353292475 YIQQTSKDAXLWAT-UHFFFAOYSA-N 278.783 3.579 30 20 CHED C=C(C)CN(C)C(=O)Nc1c2c(cc3c1CCC3)CCC2 353937383 KFFNUAAJNQNTOI-UHFFFAOYSA-N 284.403 3.704 30 20 CHED COc1ccsc1CNc1cccc(C#N)c1C 354778959 ZTFZOAMAIZDYKU-UHFFFAOYSA-N 258.346 3.549 30 20 CHED CCCOc1cccc2c(NCCCC#N)ccnc12 355676389 TYTTZAPJOKZFTP-UHFFFAOYSA-N 269.348 3.739 30 20 CHED N#Cc1csc(CN(CC2CCC2)CC2CC2)c1 355723064 BZBJPMXVFXCWJT-UHFFFAOYSA-N 260.406 3.632 30 20 CHED N#Cc1cccnc1N[C@H]1CC[C@@H](c2ccccc2F)C1 360267261 NTTZXGUFPPCYEV-OCCSQVGLSA-N 281.334 3.841 30 20 CHED Cc1cc(C(=O)N2CC(C)(C#N)C2)c(C)n1C1CCCCC1 361232287 YAEOQFQUBZZFBW-UHFFFAOYSA-N 299.418 3.596 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CC(C)C)c1ccccc1OC 362380780 SALYALGVVJOERK-DZGCQCFKSA-N 290.407 3.656 30 20 CHED N#CCCCN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 363836860 PZHMVOKWHSLLES-CABCVRRESA-N 262.784 3.869 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCCC12CCOCC2 380952596 QFRMGXTZKVABEU-CQSZACIVSA-N 251.414 3.528 30 20 CHED N#Cc1cccc(OCCCCC2CCOCC2)c1 388687480 SVXXOPZYDGDSIU-UHFFFAOYSA-N 259.349 3.534 30 20 CHED C=C(CC)CNC1(c2ccc(Br)cc2)CC1 390617706 HLJJBDBHKNAJGV-UHFFFAOYSA-N 280.209 3.994 30 20 CHED Cc1nc(NC[C@H]2CCCC2(F)F)c(Cl)cc1C#N 390889878 NMQZLIUJHPDFBH-SNVBAGLBSA-N 285.725 3.762 30 20 CHED C[C@H]1CCC[C@H](N(C)Cc2ccc(CC#N)cc2)C1 398997238 QBVMWROSLHAVFQ-YOEHRIQHSA-N 256.393 3.763 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](C)c1ncc(C)o1 411186110 IVZSNYXHVALQSO-ZDUSSCGKSA-N 274.339 3.871 30 20 CHED N#Cc1ccc(OCC2CCC(F)(F)CC2)cc1 412975245 FQGCADZRTHMWLP-UHFFFAOYSA-N 251.276 3.763 30 20 CHED CC(F)(F)c1ccccc1NC(=O)NCC1(C#N)CCC1 417191513 MFICKSWHJGASKI-UHFFFAOYSA-N 293.317 3.614 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC[C@H](C2CCCC2)C1 420854344 ZJPNEWGOUNZWCD-HNNXBMFYSA-N 291.439 3.538 30 20 CHED CC[C@@H](C)CCC(=O)Nc1ccc(C#N)c(C#N)c1C 421559128 NXDKTIQATFADQX-LLVKDONJSA-N 269.348 3.503 30 20 CHED C=CCc1cccc(F)c1OCc1nc(C(C)(C)C)no1 424099563 JENHZZXFVSBRDY-UHFFFAOYSA-N 290.338 3.814 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CCCC[C@H]2C)s1 425451489 MLMSLSWQQOZRCL-ZWNOBZJWSA-N 276.405 3.947 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1C(F)F 425703205 OGAIWAVVRPOYER-UHFFFAOYSA-N 268.307 3.958 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC[C@@H]1CCSC1 426145176 YQWCBANPUMAVRZ-ZDUSSCGKSA-N 276.405 3.510 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(N(C)C)cc2)no1 426390454 JSZQROWNHVMLCK-UHFFFAOYSA-N 271.364 3.656 30 20 CHED Cc1c(C(=O)NCC(C)(C)C)sc2ccc(C#N)cc12 428061961 UDCJMQUTASSKDT-UHFFFAOYSA-N 286.400 3.857 30 20 CHED N#Cc1c(F)cccc1CN1CCC[C@@H]2CCCC[C@H]21 428308000 XIZQRWWERIGCPF-SUMWQHHRSA-N 272.367 3.852 30 20 CHED C=CCOc1cccc(NC(=O)c2c(C)nsc2C)c1 429820753 MMHCSFLFQREFBZ-UHFFFAOYSA-N 288.372 3.577 30 20 CHED C=CC1CCN(CC[C@@H](C)N2CCC(C=C)CC2)CC1 431598921 ZYWLTXGTULPSSI-MRXNPFEDSA-N 276.468 3.561 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccccc1OC 436314830 ZNBTUUNREDTUSR-ZVZYQTTQSA-N 289.419 3.717 30 20 CHED CC[C@H](F)CNc1ccccc1SCCC#N 442133771 OILREDMJHVDFSW-NSHDSACASA-N 252.358 3.852 30 20 CHED C=CCC[C@@H](Nc1ncc(F)cn1)c1ccccc1 446984304 GFEVMDYISVPRLN-CQSZACIVSA-N 257.312 3.735 30 20 CHED CC[C@H](NC[C@H](OC)C(C)(C)C)c1ccc(C#N)cc1 447560753 FNLLHMYKVAYEJA-HOTGVXAUSA-N 274.408 3.660 30 20 CHED C=CCCCC[C@H](C)NC[C@H]1CCO[C@H]1C(=C)C 449299084 KORDTIQZGNDVFM-XHSDSOJGSA-N 251.414 3.692 30 20 CHED C=CC1CCN(c2nccc3c([N+](=O)[O-])cccc23)CC1 450335590 LTQLRRKKMZZRSE-UHFFFAOYSA-N 283.331 3.545 30 20 CHED CCc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1C 450361166 DKDMVAGAYAGTGX-SFHVURJKSA-N 282.387 3.970 30 20 CHED Cc1csc(C2(NCC3(C#N)CCC3)CCCC2)n1 450574983 DOIQJBJVPRFCFL-UHFFFAOYSA-N 275.421 3.504 30 20 CHED C=CCC1(C(=O)NCC(C)(C)COCC)CCCCC1 451797906 ALDUYANIYWHGPY-UHFFFAOYSA-N 281.440 3.692 30 20 CHED C=CC[C@@H](C(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1)c1ccccc1 452219075 AQANOOFXLJUETO-QXCZDIPSSA-N 293.410 3.627 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cccc(-c2ccncc2)c1 453363048 QGYHJXHNAPGSGO-DNVCBOLYSA-N 296.414 3.726 30 20 CHED C=C(CC)CN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 453374710 TXQWUZNEXMXTDN-IAGOWNOFSA-N 287.403 3.724 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1C(F)(F)F 454176814 XZQXRYHVOCBAAC-UHFFFAOYSA-N 272.270 3.793 30 20 CHED C[C@H](NC(=O)N[C@H](C)CC(C)(C)C)c1ccc(C#N)cc1 454340099 BUNZMVBOJZRWMN-OLZOCXBDSA-N 287.407 3.743 30 20 CHED CCCN(CC#N)C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 454913201 BTGGTKMDZNBMAH-NSHDSACASA-N 298.308 3.728 30 20 CHED C=C(C)CCNC(=O)N[C@@H](CC)c1ccc(F)cc1F 455319226 ZQINKBJBCTWCTA-AWEZNQCLSA-N 282.334 3.681 30 20 CHED C=C(C)CCNC(=O)N1CC[C@](C)(c2ccc(C)cc2)C1 455321251 INJPZDCTAVWKTL-SFHVURJKSA-N 286.419 3.634 30 20 CHED C=CC[C@H](C(=O)NCc1cnc(C2CC2)o1)c1ccccc1 456755272 BUBAXFHTVIDVSX-INIZCTEOSA-N 296.370 3.528 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)C1CCC1 457511320 ZCIFHDBZIBPOGE-AWEZNQCLSA-N 282.387 3.509 30 20 CHED CCC[C@H](NC(=O)NCC(C)(C)CCC#N)C1CCCC1 458757771 FFBSOEUYXJKHEN-HNNXBMFYSA-N 293.455 3.974 30 20 CHED CCOC[C@@H]1CCCCN1Cc1ccc(Cl)cc1C#N 459695385 APRMXDLTOMSIHC-INIZCTEOSA-N 292.810 3.603 30 20 CHED CC(C)c1ccc(C[C@H]2CCN(C(=O)CCCC#N)C2)cc1 462486987 IUQQTAGANUHSJI-QGZVFWFLSA-N 298.430 3.895 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(C(F)F)cc1 464166443 ANPVDXKBFOAQGB-OAHLLOKOSA-N 280.318 3.682 30 20 CHED N#Cc1cccc(C(=O)NCCC2=CCCCCC2)c1 464239949 BLBHNFIMEOBTBM-UHFFFAOYSA-N 268.360 3.569 30 20 CHED CC(C)(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(F)c1 464644632 ANQCEGAAJCDRMR-UHFFFAOYSA-N 296.345 3.905 30 20 CHED COc1ccc(C#N)cc1NC(=O)Nc1cc(C)ccc1C 466551820 NGHVAZMITPOXMP-UHFFFAOYSA-N 295.342 3.828 30 20 CHED C[C@@]1(CNc2cc(Cl)ccc2C#N)CCO[C@H]1C1CC1 466617930 KNKKDDZBOVZJTJ-HOTGVXAUSA-N 290.794 3.829 30 20 CHED CC(C)C[C@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 466745698 XBDLFQZWQSCCDA-GDBMZVCRSA-N 256.393 3.987 30 20 CHED C[C@H](CCCC(F)(F)F)NCCc1cccc(C#N)c1 467448300 XDNKHEQAAPCHFT-GFCCVEGCSA-N 284.325 3.811 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@](C)(C=C)CC 467934185 WDPKCCFBMNRHRQ-GOSISDBHSA-N 271.404 3.846 30 20 CHED C=CCCCCN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C 471620652 QQPWCXYVJJFQFM-OAHLLOKOSA-N 298.434 3.891 30 20 CHED C=CCCCCNC(=O)[C@H](C)Cc1ccccc1Cl 471677531 QAWQGQIITPZYMV-CYBMUJFWSA-N 279.811 3.991 30 20 CHED C=CCC1(C(=O)NCCOc2cccc(Cl)c2)CCC1 478675274 MRPWWYXAMYTIKK-UHFFFAOYSA-N 293.794 3.581 30 20 CHED C=CCOCCCOc1ccc(Br)cc1C 478790978 BCVNRZDYKYNTHT-UHFFFAOYSA-N 285.181 3.729 30 20 CHED CC#CCCNC(=O)N[C@H](c1ccccc1)C1CCCC1 482879682 YMQDXTDDWTYNQI-QGZVFWFLSA-N 284.403 3.631 30 20 CHED Cc1ccccc1O[C@H]1CCCC[C@@H]1NCC1(C#N)CC1 484636588 BVSSFJQALOIUDW-RDJZCZTQSA-N 284.403 3.578 30 20 CHED C=C(C)CN(C)C(=O)NCc1csc2ccccc12 486308204 BKEVHPRRNWTHSI-UHFFFAOYSA-N 274.389 3.619 30 20 CHED CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)c(C)c2)C12CCC2 488211128 FDSBMULVTBJPAR-ROUUACIJSA-N 298.430 3.646 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(F)c(Cl)c1 488569418 YWGHKDWZANHSTG-UHFFFAOYSA-N 278.714 3.719 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCOc2ccc(F)cc2C1 489233638 HLRHBYBKKIATBL-CYBMUJFWSA-N 296.345 3.653 30 20 CHED C=CCN(CCc1ccco1)C(=O)CCCc1ccccc1 490242076 MCXYNJUKYFULJZ-UHFFFAOYSA-N 297.398 3.860 30 20 CHED CCCC[C@H](CC)C(=O)Nc1cc(C#N)ccc1NC 503241366 AMLHJZIPVAPVQL-ZDUSSCGKSA-N 273.380 3.755 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccnc(-c2ccccc2)c1 504162863 OTHWJVZLOSISJM-UHFFFAOYSA-N 293.370 3.955 30 20 CHED C=CCN(Cc1cnn(CC(F)F)c1)CC1CCCCC1 508551769 LUVDRZHIWLRLBY-UHFFFAOYSA-N 297.393 3.717 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc(F)c(OC)c2)n1 508679678 NKFFHGFVYANEAP-RMKNXTFCSA-N 288.322 3.896 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C1(c2ccccc2)CCCC1 509724421 MRGPCKBZCUANFI-HNNXBMFYSA-N 284.403 3.507 30 20 CHED C=CCc1cc(CN2CCC(CC)CC2)cc(OC)c1O 510671200 ZITNMDUVMJXFAV-UHFFFAOYSA-N 289.419 3.751 30 20 CHED C=CCOc1ccc(CNCc2ccc(F)cc2C)cc1 512531563 HEDZRPDGKNGEEA-UHFFFAOYSA-N 285.362 3.989 30 20 CHED Cc1cc(-c2cccc(C#N)c2)nc2cc3c(cc12)OCO3 515484279 PVYUDOYTYLLSKH-UHFFFAOYSA-N 288.306 3.811 30 20 CHED C=CCCCCN1CCC(O)(Cc2cccc(C)c2)CC1 519805348 WCORPKGALLQGFP-UHFFFAOYSA-N 287.447 3.721 30 20 CHED Cc1ccsc1-c1nnc(SCC2(C#N)CCC2)o1 521190347 HCBXLQQXDFIEFB-UHFFFAOYSA-N 291.401 3.893 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(N2CCCC2)c1 528051783 OLDUIWMFDTYCAR-UHFFFAOYSA-N 285.391 3.555 30 20 CHED C=CC(C)(C)c1nc(Cc2ccc(C(F)(F)F)nc2)no1 528252709 MDAFYFWTNMVXQN-UHFFFAOYSA-N 297.280 3.538 30 20 CHED C=CCCC(=O)N1C[C@H](c2cccc(OC)c2)C(C)(C)C1 529729801 XMEJEQKZHXZMGQ-MRXNPFEDSA-N 287.403 3.613 30 20 CHED C=CCCCCCN(C)C(=O)CCCC(F)(F)F 536143469 CLKNAEXDAOAPCD-UHFFFAOYSA-N 265.319 3.924 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2c(s1)CCC2 537224332 JCAISWCWSNRXBD-LLVKDONJSA-N 263.406 3.711 30 20 CHED Cc1cccc(O[C@H](C)CN[C@H](C)c2cccc(C#N)c2)c1 537292771 OCEHOCBPAKIJHI-HZPDHXFCSA-N 294.398 3.985 30 20 CHED C=CCC[C@@H](Nc1cccc(C(=O)NCCC)c1)C1CC1 537534890 REHSVDBTEQLDQA-QGZVFWFLSA-N 286.419 3.983 30 20 CHED C=C(CC)CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 539094752 HLXWTIWVQXGDOB-MJBXVCDLSA-N 269.454 3.769 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1cc2ccccc2o1)C(C)C 539562501 BLYKYMQKXQRYTB-RDTXWAMCSA-N 287.403 3.904 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC1(c2ccccc2)CCC1 540766554 GLOMOOUPZMVEKM-MRXNPFEDSA-N 286.419 3.762 30 20 CHED N#CCc1ccc(CN2CCC[C@H]2Cc2ccccc2)cc1 542210167 QCTXLLIUHKFBGO-FQEVSTJZSA-N 290.410 3.960 30 20 CHED Cc1cccc([C@@H]2CCN(c3nccc(C)c3C#N)C2)c1 542276820 BPIRPYMBIAEYNL-MRXNPFEDSA-N 277.371 3.564 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC(CC#N)CC1 542844688 MSYGHTSSPYUELQ-HZPDHXFCSA-N 291.439 3.681 30 20 CHED N#Cc1ccc(=NC2CCC(c3ccc(F)cc3)CC2)[nH]c1 542865250 FOAWQVPLDSGGRM-UHFFFAOYSA-N 295.361 3.653 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(C)cc1SC 543236482 NYTPANQUMSDZGJ-AWEZNQCLSA-N 292.448 3.871 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1ccc(F)c(Cl)c1 545252998 UZYYBJYCAARCAU-NSHDSACASA-N 299.773 3.719 30 20 CHED C=CCC[C@@H](NCC[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 549237654 WIBVYNIOZLCGOH-JYYAWHABSA-N 265.441 3.915 30 20 CHED C=C(C)COc1cccc(NC(=O)C[C@H]2C[C@H]2C)c1 555021775 ZIXJVRKOTHQTTP-CHWSQXEVSA-N 259.349 3.626 30 20 CHED C=CCC(C)(C)CN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 556215814 GNDPWDFPWZRISN-QLFBSQMISA-N 263.425 3.526 30 20 CHED CN(Cc1cc(C(F)(F)F)ccc1F)CC(C)(C)C#N 556909432 DWSZSIQIOFZOCZ-UHFFFAOYSA-N 288.288 3.826 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCc1cccc(F)c1)CC2 558497063 KETLOWXROPOGPF-GOSISDBHSA-N 280.346 3.517 30 20 CHED N#Cc1c(Cl)cccc1N1CCC(c2ccncc2)CC1 565814677 UVFSZAAMUCNLPJ-UHFFFAOYSA-N 297.789 3.991 30 20 CHED CCc1nc(S[C@@H](C)c2cccc(C#N)c2)nc(O)c1C 566926453 LSKVJUUIRFCSNT-NSHDSACASA-N 299.399 3.778 30 20 CHED CN(Cc1ccc2ccccc2c1)[C@@H]1CC[C@H](C#N)C1 568419693 JTHHPERLVFESHH-KBXCAEBGSA-N 264.372 3.964 30 20 CHED Cc1ccc(F)c(CN(C)Cc2cc(C#N)cs2)c1 571667356 DLSFIKJTZAVZOR-UHFFFAOYSA-N 274.364 3.699 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)c(F)cc1OC 573371859 MYONDKPARLOLBH-JTQLQIEISA-N 298.333 3.840 30 20 CHED N#Cc1ccnc(NC[C@H](c2ccccc2)C(F)(F)F)c1 574108700 YQOHLGWJVVYKNL-CYBMUJFWSA-N 291.276 3.711 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H](C)C(C)(F)F)cc1 580325681 VVSGOOBJAHHLNB-FZMZJTMJSA-N 294.345 3.563 30 20 CHED C=CCCC(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 588019579 WJQXUDUQEYSPQT-GFCCVEGCSA-N 287.359 3.975 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)CCCCCC#N 588157959 USPBMOYRJLOHJP-HUUCEWRRSA-N 264.413 3.793 30 20 CHED N#CCCCCCC(=O)N1CCCC12CCCCC2 588660877 XJONCMDTABCOEU-UHFFFAOYSA-N 262.397 3.786 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N[C@H](C#N)CC(C)C 590987847 JMBUMGKGIRMSKE-KBPBESRZSA-N 252.402 3.503 30 20 CHED C=CCOCC(=O)Nc1ccc(OCC(C)C)c(Cl)c1 591128425 RYBJHLUYAFBFEZ-UHFFFAOYSA-N 297.782 3.516 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC2(CCOCC2)C[C@H]1C 592184678 RZBRQXCKUDEPDR-CABCVRRESA-N 284.403 3.510 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCC1=CCCC1 592460171 XOYTZXXDWGEPMZ-ZDUSSCGKSA-N 267.438 3.643 30 20 CHED CN(C(=O)CCCCC(C)(C)C)c1ccc(C#N)nc1 593274496 DIDTXXRZSAMTKE-UHFFFAOYSA-N 273.380 3.523 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 593980898 CSTFWQLNPHSCCT-CRAIPNDOSA-N 298.430 3.774 30 20 CHED N#CCCSCc1cc(F)ccc1OC(F)F 594903799 SFHSUKDEEGZAEF-UHFFFAOYSA-N 261.268 3.574 30 20 CHED C=CCCSCCN[C@@H]1CCCNc2ccccc21 595059825 PKAFESREHUILRV-MRXNPFEDSA-N 276.449 3.832 30 20 CHED N#Cc1ccc(CCN2CCCc3ccccc3C2)cc1 595309770 BCDOFUNDOBFQCO-UHFFFAOYSA-N 276.383 3.549 30 20 CHED CC(C)OCCCSCCc1ccc(C#N)cc1 596383771 HGYDJMBREKRMRZ-UHFFFAOYSA-N 263.406 3.649 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)CC2(C#N)CCCCC2)C1 596759976 RBLYLGIAVIKJDY-CABCVRRESA-N 276.424 3.888 30 20 CHED CN(C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)C1(C#N)CCC1 596910889 KNEGBFVRVFAZMX-SJORKVTESA-N 296.414 3.550 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 597994468 IKJCIADRSRKPBR-GFCCVEGCSA-N 288.778 3.640 30 20 CHED Cc1ccc([C@@H](C)CNCCc2ccc(C#N)cc2)cc1 600178289 NWFYDBBKGVZXQQ-INIZCTEOSA-N 278.399 3.803 30 20 CHED Cc1cc(O)cc(NC(=O)CC2(C#N)CCCCC2)c1 600766454 JSAOSTRUEHYRDW-UHFFFAOYSA-N 272.348 3.503 30 20 CHED Cc1cc(S[C@@H](C#N)C2CC2)nc2ccccc12 601070122 PTCYWBNLAYQWMB-AWEZNQCLSA-N 254.358 3.938 30 20 CHED N#C[C@@H](Sc1nnc(-c2ccc(Cl)s2)o1)C1CC1 601077381 SDVAEHMAVKRPTJ-MRVPVSSYSA-N 297.792 3.846 30 20 CHED CCOc1cc2c(cc1NC[C@@H](C)CCC#N)O[C@@H](C)C2 602588514 NFYQFNLKBLVYAW-STQMWFEESA-N 288.391 3.760 30 20 CHED CC[C@@H]1CCCC[C@H]1CN[C@@H](C)CC1(C#N)CCOCC1 602676379 ZMRFPUGBINHKSE-BBWFWOEESA-N 292.467 3.891 30 20 CHED CC(C)(C)OC(=O)CC1(NCCCCC#N)CCCCC1 602877655 IKFRYPRCCLOKDV-UHFFFAOYSA-N 294.439 3.705 30 20 CHED COCc1cc(C#N)ccc1NCCCNc1ccccc1 603286487 PMVSLQBCNKVBGB-UHFFFAOYSA-N 295.386 3.619 30 20 CHED N#Cc1c(F)cccc1NCC1(c2ccc(F)cc2)CC1 603863864 OUARXHXEJCVFKB-UHFFFAOYSA-N 284.309 3.980 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 604880141 WUJQMPOJBNISIO-CHWSQXEVSA-N 296.414 3.987 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2c(cnn2C(C)C)c1 605043319 FOCAPXCQEQZMHJ-UHFFFAOYSA-N 298.390 3.823 30 20 CHED C=CCCCOc1ccc([N+](=O)[O-])cc1Br 609962130 XILOVECMWIQCDV-UHFFFAOYSA-N 286.125 3.702 30 20 CHED CC[C@@H](NCc1ccnc(C#N)c1)c1ccc(C)cc1 611376547 IHALMJXWTPPWDV-QGZVFWFLSA-N 265.360 3.503 30 20 CHED C[C@@]1(C#N)CCCN(CCCSCc2ccccc2)C1 612162709 LXRQWPQDRKTURM-KRWDZBQOSA-N 288.460 3.936 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 617615569 RJHBOSPHWCUDRF-DLBZAZTESA-N 265.356 3.636 30 20 CHED C=CCCNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 617616412 WEALDXVVQFPHNB-CQSZACIVSA-N 265.784 3.772 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2cccc(F)c2)C1 617786301 WTKBDZMEGWHZDS-CABCVRRESA-N 289.394 3.819 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@](C)(C#N)C1 618834681 VQYPCICFCMSDAD-RHSMWYFYSA-N 291.439 3.681 30 20 CHED C=CCC1(NC(=O)[C@H]2Cc3ccccc3S2)CCCC1 619114633 LMLICUVSAVYGLQ-OAHLLOKOSA-N 287.428 3.709 30 20 CHED Cc1cc(C(=O)N2CCC[C@@](C)(C#N)C2)c(C)cc1Cl 619442802 VKKIEYXCIUZSCY-INIZCTEOSA-N 290.794 3.723 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 644963854 DBPWFHMOJJOLND-MNOVXSKESA-N 277.330 3.778 30 20 CHED C=CCC[C@@H](N[C@H](C)Cc1ccccn1)c1ccco1 655834264 NBWVFJKHPPIYIU-GDBMZVCRSA-N 270.376 3.903 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCc2cc3ccccc3[nH]2)C1 663868293 XUSUJOMJBIWTSO-AWEZNQCLSA-N 297.402 3.666 30 20 CHED C=CCC1(N[C@H]2CC(C)(C)C[C@@H]2C)CCOCC1 668551084 HRRNZOSYPALWQA-KBPBESRZSA-N 251.414 3.526 30 20 CHED CCC#C[C@@H](C)N[C@@H](C)c1ccc(SCCOC)cc1 678765266 IQQOTZGYGDNJQR-CABCVRRESA-N 291.460 3.878 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(C(F)F)cc1 684768132 ZHBOIUDTKAYAMV-HUUCEWRRSA-N 281.346 3.695 30 20 CHED CCO[C@@H]1CCC[C@H](Nc2cccc(CC#N)c2)C1 721166967 LIRCOSKRMMCDAU-JKSUJKDBSA-N 258.365 3.512 30 20 CHED N#Cc1c(Cl)nsc1NC[C@@H]1C[C@H]2CC[C@H]1C2 725792508 RVOQPHSXZBARPP-CIUDSAMLSA-N 267.785 3.516 30 20 CHED C=CCCC(=O)OCCCOc1cccc(Cl)c1 726651360 ZVBGYWDJRKKEOL-UHFFFAOYSA-N 268.740 3.618 30 20 CHED C=C(C)COC(=O)CCc1ccccc1OC(F)(F)F 727555494 XYXRXDLCEPNIRZ-UHFFFAOYSA-N 288.265 3.637 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)Oc2c(Cl)cccc21 729149823 HBBCSYYQJWGVKC-OQLLNIDSSA-N 298.725 3.891 30 20 CHED Cc1cccc(C(=O)/C=C\c2cccc(OCC#N)c2)c1 730151471 KYVAPMKRENELSK-HJWRWDBZSA-N 277.323 3.794 30 20 CHED C#Cc1cccc(N(Cc2ccno2)Cc2cccs2)c1 732199762 PSFNRORWIOIHRQ-UHFFFAOYSA-N 294.379 3.924 30 20 CHED COc1ccc(C)cc1C=NNc1cc(F)c(F)cc1F 734302822 QIQDHBUAROUVCR-UHFFFAOYSA-N 294.276 3.867 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](c2ccccc2C)C[C@@H]1C 737447831 GTERGDFHFZBMDE-GJZGRUSLSA-N 288.460 3.623 30 20 CHED C=CCCOC(=O)c1cc2ccccc2c(Cl)n1 740215120 MSSZOHZSTDIWQK-UHFFFAOYSA-N 261.708 3.621 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)[C@H]1CCOC1 741759188 HDGAYXIXWMCLGQ-JTQLQIEISA-N 272.270 3.530 30 20 CHED C#CCN(C(=O)c1ccc2c(c1)CCCC2)C1CCCCC1 743689658 BAWXSSNYYQWWTF-UHFFFAOYSA-N 295.426 3.974 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)nc1)C2 749005934 OLFUUKNFXDYBII-WUXMJOGZSA-N 285.730 3.566 30 20 CHED O=C1/C(=C\c2cccnc2Cl)Cc2c(F)cc(F)cc21 751537719 ZJEIQCLCXIYZCL-WTKPLQERSA-N 291.684 3.836 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@@H]([C@H](C)O)C1 753217093 ZBVAGTIGQFZPQI-JKSUJKDBSA-N 298.471 3.539 30 20 CHED C#CCCN[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 754486544 VWEVICDKKSUPRO-NEPJUHHUSA-N 269.310 3.810 30 20 CHED CCCCCCCCC(=O)N1CC(C)(C)OC[C@@H]1C 754496717 SAMIUFBZQYIDGO-AWEZNQCLSA-N 269.429 3.763 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 755602406 DLNQJCIIRFYHOO-HEHGZKQESA-N 270.376 3.614 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NO[C@H]1CCCCO1 755815167 OULSFRPDNJLNQL-INIZCTEOSA-N 279.355 3.923 30 20 CHED C#CC[C@H](NC(=O)N[C@H](C)c1ccccc1)c1ccccc1 757003515 PGDVOEZZTXTRRG-QAPCUYQASA-N 292.382 3.811 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCCC1(C)C)C(C)C 757766109 WTMCUIPQYOUPRD-CYBMUJFWSA-N 252.402 3.561 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccc(N(C)C)c1 758527866 FSBZXZOAZVRBMI-UHFFFAOYSA-N 273.376 3.564 30 20 CHED CC#CCCOC(=O)c1cncc(-c2ccc(Cl)cc2)c1 760275120 LNENNFRAHFOIDV-UHFFFAOYSA-N 299.757 3.972 30 20 CHED CC#CCCOC(=O)c1cc2ccc(F)cc2s1 760282738 LBBMFVHKNQCWKD-UHFFFAOYSA-N 262.305 3.611 30 20 CHED Cc1cccc(C(=O)OCc2ccc(F)c(C#N)c2)c1F 761281016 MROIWAFRHONIAT-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#CC[C@H](Nc1nc2ccccc2n1C)c1ccccc1 762553522 VTCFTRMHJFMBRJ-HNNXBMFYSA-N 275.355 3.750 30 20 CHED CCCC1CCC(=NNc2ccc(C(=O)O)cn2)CC1 763370158 LSDOBXMRNDSURE-UHFFFAOYSA-N 275.352 3.538 30 20 CHED CCCCC[C@@H](C(=O)Nc1cc(CC#N)ccn1)C(C)C 763906945 CKYBVCCIQQMAQC-OAHLLOKOSA-N 287.407 3.939 30 20 CHED FC(F)(F)C1CCC(=NNc2ccccn2)CC1 766008048 QSUUEMXYFQXNBW-UHFFFAOYSA-N 257.259 3.602 30 20 CHED C#CCOc1ccc(F)cc1NCc1cc(C)oc1C 767374674 XFIJBIBLLVYETQ-UHFFFAOYSA-N 273.307 3.660 30 20 CHED C=CC[C@@H](NC(=O)N[C@@H]1CCC(C)(C)C1)c1ccncc1 768944227 HPEDGERIFOCMCD-HUUCEWRRSA-N 287.407 3.577 30 20 CHED N#CCCCOc1ccc(-c2ccccc2)cc1C=O 769660377 OUFJBAYXSMMGMD-UHFFFAOYSA-N 265.312 3.849 30 20 CHED Fc1cc(NN=C2CC[C@@H]2c2ccccc2)ccn1 769800699 FMNSVAYRUAPGDO-CYBMUJFWSA-N 255.296 3.566 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ccc(F)c([N+](=O)[O-])c1 769830324 YLDHMMCSLQWZOR-UHFFFAOYSA-N 299.305 3.805 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C\c1ccccc1F 770241674 WFBKSXHVGFBZFA-KTKRTIGZSA-N 280.302 3.658 30 20 CHED CCOc1cccc(C=Nc2cc(C)cc(F)c2)c1O 770478615 IJHFEVFPBAVPTF-UHFFFAOYSA-N 273.307 3.989 30 20 CHED COc1cc(/C=C2/Cc3ccc(F)cc3C2=O)ccc1C 773139577 LDLBOCMWFBCUPG-AUWJEWJLSA-N 282.314 3.965 30 20 CHED Cc1cc(/C=C2/Oc3cc(F)ccc3C2=O)cnc1Cl 773170929 FRIVSNRBQJYSJN-WLRTZDKTSA-N 289.693 3.799 30 20 CHED C[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)c1ccccc1F 776386541 VIZLGOOBDCQMOX-MLGOLLRUSA-N 289.350 3.945 30 20 CHED CC(C)c1ncc(C=NNc2cc(Cl)ccn2)s1 777905639 MYSNTTLBQNCMDV-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)c1cccc(F)c1C#N 778361168 VBVLZUKSMFTUIB-CYBMUJFWSA-N 297.329 3.875 30 20 CHED CC1(C)C[C@H](NN=C(Cc2ccccc2)C2CC2)CCO1 780252936 YSNGWRFVDASTCF-MRXNPFEDSA-N 286.419 3.542 30 20 CHED C#CCCCCCC(=O)N1CCCC12CCCCC2 780675661 FPEICKYKMNCDPO-UHFFFAOYSA-N 261.409 3.895 30 20 CHED C[C@H]1CCCC(=NNc2nncc3ccccc23)[C@H]1C 781116504 FCUPIZZETPMNPH-RYUDHWBXSA-N 268.364 3.854 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2ccnc(F)c2)cc1 781132299 BZNABSWXGYCDLF-LLVKDONJSA-N 287.338 3.821 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1ccnc(Cl)c1 782195338 WHOAABKEPIGMJL-PLNGDYQASA-N 279.673 3.909 30 20 CHED C#CCCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 783005436 XAYUDMICCDIADI-QGZVFWFLSA-N 284.790 3.632 30 20 CHED C=C(C)CCOC(=O)c1ncsc1-c1ccccc1 783104033 AOHPGXAQSBPHPD-UHFFFAOYSA-N 273.357 3.933 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@@H]1[C@H]2CCC[C@H]21 783875020 YDZUGFFJUMZZRP-FVQHAEBGSA-N 285.387 3.569 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ccnc(Cl)c1 784832155 JIXICXOJYMPEHN-CQSZACIVSA-N 269.735 3.706 30 20 CHED CC(=NOC[C@H]1CCOC1)C(C)(C)c1ccc(F)cc1 788031550 WAUKZJQQINEFJO-ZDUSSCGKSA-N 279.355 3.532 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccccc1SC1CCCC1 789837004 UYDZCLATBLPARL-GFCCVEGCSA-N 288.416 3.865 30 20 CHED C#C[C@@H](CCC)NC(=O)c1c[nH]cc1-c1ccc(C)s1 791745120 GTOUMAQBMUXDDX-LBPRGKRZSA-N 286.400 3.583 30 20 CHED Cc1cc(NC(=O)[C@@H](C)C#N)ccc1-c1ccccc1 792837205 ZWAMLBGYESZVMA-ZDUSSCGKSA-N 264.328 3.760 30 20 CHED C[C@H](NN=Cc1nc2ccc(F)cc2s1)C(C)(C)C 793115945 USDQRMOPCSMJIP-VIFPVBQESA-N 279.384 3.794 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OCCCC)cc1 793534448 NKYWWGDLKMXKQZ-HNNXBMFYSA-N 259.393 3.930 30 20 CHED C=CCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 794657465 LJJQEKFOTFYHMQ-MSOLQXFVSA-N 267.372 3.627 30 20 CHED Cc1ccc(C(=O)OCc2cc(C#N)ccc2F)cc1C 794671679 PLGNNWIQYBZTJZ-UHFFFAOYSA-N 283.302 3.671 30 20 CHED Cc1cnn(C)c1/C=C1\CC(C)(C)c2ccccc2C1=O 794713357 MYHMFGPFLLXHML-UKTHLTGXSA-N 280.371 3.676 30 20 CHED C[C@@H]1CSCC1=NNc1cccc2ccccc12 794899795 REKUQGFLRXHLNC-LLVKDONJSA-N 256.374 3.991 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@H]1CCF 794935816 KLOLGNLYPGFMRQ-NSHDSACASA-N 264.348 3.528 30 20 CHED CC(=NNc1ncccc1F)c1ccc(C)c(C)c1 794992718 BUGMVDUAMCYPFO-UHFFFAOYSA-N 257.312 3.674 30 20 CHED COCCCON=Cc1sc2ccccc2c1Cl 795055597 NCBKCZPDBABHSB-UHFFFAOYSA-N 283.780 3.942 30 20 CHED C=C(C)CCc1noc(CCCCCCC(C)=O)n1 795769665 UOHLOYVLMQGKSF-UHFFFAOYSA-N 264.369 3.660 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1cc(F)ccc1C#N 796323903 JPQPKRLPHRYRQE-MRXNPFEDSA-N 277.339 3.957 30 20 CHED CCCCCCCCCN1C[C@H](N2CCOCC2)C[C@@H]1C 796376739 JWQBJPQMILWKFC-ZWKOTPCHSA-N 296.499 3.532 30 20 CHED CC/C=C(\C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572349 YGYXRAANZFJINJ-HUYFXPKMSA-N 276.405 3.973 30 20 CHED N#CCCCCOC(=O)c1cccc(C2CCC2)c1 798739270 VACKACVPTOQJKH-UHFFFAOYSA-N 257.333 3.805 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2C)cc1C#N 799316906 NKCWRVJTRLIHNW-HNNXBMFYSA-N 292.382 3.536 30 20 CHED CCc1cc(C#N)ccc1OCc1ncc(C(C)C)o1 799588440 SHNUGLCRPIDVFT-UHFFFAOYSA-N 270.332 3.811 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2C#N)oc1C 799897990 UVMSBGMZHCBOTL-BQYQJAHWSA-N 251.285 3.664 30 20 CHED C#CC[C@H](NC(=O)CC[C@@H](C)CC)c1ccccc1 802887057 WKCSYJRQGOHHOU-HOCLYGCPSA-N 257.377 3.694 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H]1CCc2cc(Cl)ccc21 803318806 BQRRXXFCXWCBNE-ABAIWWIYSA-N 294.778 3.852 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 803318809 BQRRXXFCXWCBNE-XHDPSFHLSA-N 294.778 3.852 30 20 CHED C[C@@H]1CCN(c2nc(Cl)c(C#N)s2)CC1(C)C 804613343 FUNPXBITPCLJJW-MRVPVSSYSA-N 269.801 3.541 30 20 CHED Cc1ccc([C@H](O)[C@H](C)Nc2cccc(F)c2C#N)cc1 804810659 YGELMOSTDUYIGL-YVEFUNNKSA-N 284.334 3.540 30 20 CHED C#Cc1ccc(CN(Cc2ccc(C)o2)C2CC2)cc1 809546336 RKELVHRXJBQEGX-UHFFFAOYSA-N 265.356 3.734 30 20 CHED C[C@@H](COc1ccccc1)N[C@H]1CCc2ccc(C#N)cc21 810213965 KFZZAKABJNMTKF-LIRRHRJNSA-N 292.382 3.603 30 20 CHED C=CCCCCOC(=O)[C@H](OCC)c1ccccc1 811014082 PTYYVQBKVQXFGR-OAHLLOKOSA-N 262.349 3.664 30 20 CHED CC(CCc1ccco1)=NN[C@H](C)COc1ccccc1 811667912 GPJRXMWVXHKGIA-OAHLLOKOSA-N 286.375 3.645 30 20 CHED CCCCCCCNc1ccc(CCO)cc1OC 811763180 UZWDTPDTSFKLNH-UHFFFAOYSA-N 265.397 3.612 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 812200716 ZPWNAXDPLHGKAC-HZPDHXFCSA-N 298.430 3.550 30 20 CHED Cc1ccc2c(C)cc(NN=C[C@@H]3CCOC3)nc2c1C 812443240 OUAUFBHUNQSPMC-AWEZNQCLSA-N 283.375 3.594 30 20 CHED C[C@H](OC(=O)CCCC#N)c1cccc(Cl)c1 812614522 NEBYXLCSYTULTK-JTQLQIEISA-N 251.713 3.638 30 20 CHED CC[C@@H](C)c1ccc(C(=O)COC(=O)CCCC#N)cc1 812616745 NWEREJPQDNNBCU-CYBMUJFWSA-N 287.359 3.620 30 20 CHED Cc1cc2c(cc1C)C(=NNc1ncccc1Cl)CO2 814810411 LCSIFPIARPQNMW-UHFFFAOYSA-N 287.750 3.560 30 20 CHED CC(=NNC[C@@H](C)C#N)c1sc(-c2ccccc2)nc1C 814881211 LNFPFVCZDMPYOB-NSHDSACASA-N 298.415 3.592 30 20 CHED CCCCCCCN[C@@H](c1ccc(F)cc1)c1nc[nH]n1 815600931 JBYSULXBEOCQCP-HNNXBMFYSA-N 290.386 3.593 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1CCc2cccnc2CC1 817327359 GWDKTNLKWXYIAC-KRWDZBQOSA-N 285.435 3.875 30 20 CHED C=CC(C)(C)CNC[C@H](O)c1cccc2ccccc12 819345558 JFBIXGRFEDBWPK-KRWDZBQOSA-N 269.388 3.675 30 20 CHED C[C@H](NN=C1CCC[C@H](C(F)(F)F)C1)c1ccncc1 819815801 CXXKEEMDEUQWNQ-JQWIXIFHSA-N 285.313 3.841 30 20 CHED COc1cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)on1 821021591 IYWUOYXOVGKYKA-HWKANZROSA-N 298.125 3.886 30 20 CHED C=C[C@H](CC)CC(=O)Nc1scnc1C(C)C 821813371 JLOCLWGWOBFVET-SNVBAGLBSA-N 252.383 3.807 30 20 CHED CC(C)C#CC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 822485366 NYWPGHHZGVCYDC-INIZCTEOSA-N 294.398 3.533 30 20 CHED CC(C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)=C1CCC1 826690147 SVRMJPFSPORNGT-ZWKOTPCHSA-N 294.398 3.785 30 20 CHED Cc1cc(Cl)ncc1NC(=O)CC1(C#N)CCCCC1 830449517 XTDPOJZNSLUGDZ-UHFFFAOYSA-N 291.782 3.846 30 20 CHED C#CCO[C@H](C)c1nc(-c2ccc(C(C)C)cc2)no1 834491915 IVZHMEIPIRRLCA-GFCCVEGCSA-N 270.332 3.571 30 20 CHED C#CCCc1noc(C2(Cc3cccc(Cl)c3)CC2)n1 834585251 KWYCKPWTRZWLLI-UHFFFAOYSA-N 286.762 3.563 30 20 CHED CCC[C@@H](C=NNc1ccc(OC(F)F)cc1)OC 834952264 NVNLVIBGSLZELV-LBPRGKRZSA-N 272.295 3.501 30 20 CHED Cc1ccc(SC[C@@H](C)NC(=O)C#CC(C)(C)C)cc1 837536950 CKUMUTGLQMISQC-CQSZACIVSA-N 289.444 3.641 30 20 CHED C#CCN(C(=O)NCc1cc(C)cs1)C1CCCCC1 838663176 PXGLVTLQNUEJEU-UHFFFAOYSA-N 290.432 3.534 30 20 CHED C#CCC[C@@H](C)OC(=O)c1nc(-c2ccccc2)oc1C 839033126 AUIGSLOEZZWMNX-GFCCVEGCSA-N 283.327 3.609 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(Cl)nc2Cl)C1 839444926 LFOSJLAJMDVXGV-IUCAKERBSA-N 299.157 3.628 30 20 CHED N#CC1(CCOC(=O)CC2CCSCC2)CCCCC1 840296411 RXPWCIVNPDWCMZ-UHFFFAOYSA-N 295.448 3.927 30 20 CHED CC(C)(C/N=C/c1cc(Cl)ccc1O)c1cccnc1 840711559 AHBXYRQINGRALU-DJKKODMXSA-N 288.778 3.837 30 20 CHED CC(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)=C1CCCC1 841466030 QMERLLZKWKPUTQ-GOSISDBHSA-N 294.398 3.942 30 20 CHED C/C(=C/c1ccc(Cl)cc1)C(=O)NCC1(C#N)CCC1 841467359 PSOOGOLWEPQOOT-XFXZXTDPSA-N 288.778 3.553 30 20 CHED N#CCCCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842944893 NLHYDASLXPTBLO-LBPRGKRZSA-N 287.388 3.671 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccncc1 843549912 SBVPDAPNUPKPRT-XHSDSOJGSA-N 286.419 3.887 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H]1CCC(C)=C(C)C1 843856530 CKGOZSAGOZPOLH-HNNXBMFYSA-N 283.371 3.774 30 20 CHED N#CCCCCOC(=O)c1coc2ccc(Cl)cc12 845413728 CSPIDCAXRLBBJD-UHFFFAOYSA-N 277.707 3.937 30 20 CHED Cc1cccc(C(=O)/C=C\c2c(C3CC3)cnn2C)c1 849242577 IGJHQSROQNBADK-HJWRWDBZSA-N 266.344 3.502 30 20 CHED CC(C)(C#N)CCCOC(=O)CCc1cccnc1Cl 850116588 VFLOFNSKACIEQK-UHFFFAOYSA-N 294.782 3.541 30 20 CHED COc1ccc(/C=C/C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851214454 QPEBGWLSZPQZCI-RSPDNQDQSA-N 287.359 3.580 30 20 CHED COc1cccc(COC(=O)C2(C#N)CCCCC2)c1C 851459566 LRPZHFQVBDJZJR-UHFFFAOYSA-N 287.359 3.521 30 20 CHED C=CC[C@H]1CCCN(Cc2cnc(Cl)s2)C1 852410673 PFKROOHGYGIJNN-JTQLQIEISA-N 256.802 3.585 30 20 CHED CC(=NOCC1CCC1)c1ccc(C(F)F)nc1 853441122 RWNHZDRRGLSOIL-UHFFFAOYSA-N 254.280 3.560 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1oc2c(C)cccc2c1C 854701675 VLFSGYQWSVJBRD-KRWDZBQOSA-N 269.344 3.581 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H]1c1ccncc1 858110675 XUHHXLSNYBLOFZ-MRXNPFEDSA-N 289.423 3.899 30 20 CHED C=C(C)CCNC(=O)/C=C\c1ccc(SC)s1 861893217 IDTKPJZISKTIDP-XQRVVYSFSA-N 267.419 3.566 30 20 CHED FC(F)Oc1ccc(NN=Cc2cnc(C3CC3)o2)cc1 863087321 LFOLAMDGLHMODL-UHFFFAOYSA-N 293.273 3.599 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)CCc1cccc2ccccc12 866385998 VJYNIKUSXFPGPS-KRWDZBQOSA-N 294.398 3.827 30 20 CHED C/C(=C/C1CCC(C)CC1)C(=O)N1CCC(C)(C#N)CC1 867289616 DMFYBPKMTXLAMM-QINSGFPZSA-N 288.435 3.911 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@H]1F 872372184 XYVLWBIBZZEMRH-MRVPVSSYSA-N 270.739 3.543 30 20 CHED CCC[C@H](CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 873969215 ZRWWCTZIEJHYSP-OCCSQVGLSA-N 258.365 3.562 30 20 CHED CCN(CCC#N)Cc1cc(Br)c(C)s1 876563795 MEFDQGTUMAGNAO-UHFFFAOYSA-N 287.226 3.555 30 20 CHED C#CCCCCCCNC1CCC(OC(C)C)CC1 877113757 FNIONWGLZXXHCF-UHFFFAOYSA-N 265.441 3.896 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)Nc1cccc(OCC#N)c1 877169042 DQAGCUYHCLNEPV-KDOFPFPSSA-N 296.370 3.777 30 20 CHED C=CC(C)(C)CC(=O)N1Cc2ccc(OC)cc2C2(CC2)C1 880046364 SGRPWANHOQCMKR-UHFFFAOYSA-N 299.414 3.671 30 20 CHED C#CCCCCC(=O)Nc1ccc(O)c(C(C)C)c1 882654947 CLMWZMOISVGQKB-UHFFFAOYSA-N 259.349 3.648 30 20 CHED C=C1CC(c2noc(CCc3ccc4[nH]ccc4c3)n2)C1 896885251 ZNBDFZATVDIDQP-UHFFFAOYSA-N 279.343 3.770 30 20 CHED C[C@@H](NN=Cc1cnc(CC(F)(F)F)s1)C(C)(C)C 901246829 ROAWTXUSNWOPHR-MRVPVSSYSA-N 293.358 3.606 30 20 CHED CC(C)(C#N)CCCNc1cccc(CO)c1Cl 902067840 YWCAWJUBFRMLOH-UHFFFAOYSA-N 266.772 3.574 30 20 CHED CC[C@@H](NCc1c(C)nn(CC)c1C)c1cccc(C#N)c1 902790968 TYDMNIVCLITZRJ-GOSISDBHSA-N 296.418 3.632 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(SC)c(C(=O)O)c1 905044698 XMYBBAQWJBUPAM-UHFFFAOYSA-N 293.388 3.648 30 20 CHED N#CC1(COC(=O)c2cc(-c3ccccc3)ccn2)CCC1 909535520 ZWWSTRMLYRBYJY-UHFFFAOYSA-N 292.338 3.599 30 20 CHED Cc1nc(C=NNc2ccc(Cl)cc2)c2ccccn12 914601014 DYCKKGILKNSZIV-UHFFFAOYSA-N 284.750 3.742 30 20 CHED Cc1cc(C)c(C)c(OC(=O)c2cccc(CC#N)c2)c1 915829920 QYHQMZDWOLSZHR-UHFFFAOYSA-N 279.339 3.897 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cc2ccccc2o1 915970756 MGAMHQBLHINSLM-UHFFFAOYSA-N 280.331 3.676 30 20 CHED CCc1oc2ccccc2c1C=NNc1oc(C)nc1C#N 917554129 DSGYLYZBBRQHPJ-UHFFFAOYSA-N 294.314 3.609 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H](C)c1cccc(Cl)c1 917585386 ZRQNXBVBAHGCCJ-NSHDSACASA-N 282.840 3.783 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cccnc1 917872697 OLBVONANHROIQC-CQSZACIVSA-N 262.397 3.808 30 20 CHED C=CCc1cc(OCC)cc(CN(C)CCCC)c1O 919939747 HJKDENBELWELMX-UHFFFAOYSA-N 277.408 3.751 30 20 CHED CCN(CC)c1ccc(C=Nc2cccc(OC)c2)c(O)c1 920943299 BUFWMDUHPVIKOP-UHFFFAOYSA-N 298.386 3.998 30 20 CHED Cc1noc(C)c1/C=C1/Cc2c(Cl)cccc2C1=O 921263593 HGLAPDKAGZEXLW-POHAHGRESA-N 273.719 3.767 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc3c(c1)CCO3)C2=O 921268865 FPSDOXMTCFQLAJ-MHWRWJLKSA-N 276.335 3.752 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cccc(CN2CCCC2)c1 924605491 GRMDGCTUZDBLLK-MRXNPFEDSA-N 299.462 3.700 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(-c2nccn2C)c1 930254167 MIHGWWPYNKYSNI-CYBMUJFWSA-N 283.375 3.628 30 20 CHED COC1(C(=O)Nc2cc(C#N)ccc2C)CCCCCC1 931130886 WKJUDGCPFYXQKM-UHFFFAOYSA-N 286.375 3.545 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNCC1CCOCC1 1116076896 LFJVSRQKEWRFRH-OAHLLOKOSA-N 266.429 3.761 30 20 CHED CC[C@](C)(C#N)c1nnc(-c2ccccc2Cl)o1 1118362443 OTMKGCBTSUENFW-CYBMUJFWSA-N 261.712 3.581 30 20 CHED C#CCCCCCc1nnc(CCCc2ccccc2)o1 1118419390 WCMITFOTJBMTDN-UHFFFAOYSA-N 282.387 3.981 30 20 CHED C=C1CCC(C(=O)NCCCCOc2ccccc2)CC1 1119386210 VNLVFPATWMPRAM-UHFFFAOYSA-N 287.403 3.708 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1Cl 1124863489 PJDFQNAASSTSGJ-UHFFFAOYSA-N 290.775 3.545 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H](CC(C)C)C1 1127077882 RIFNQCPVLYUCSQ-INIZCTEOSA-N 284.403 3.765 30 20 CHED CCCN(CC1CCCCC1)c1ccnc(C#N)c1 1162237859 COSSAFRUNYRHQE-UHFFFAOYSA-N 257.381 3.750 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1cc(C)c(C#N)cn1 1163048143 SJWSGNVSHKDGHH-NTEUORMPSA-N 277.371 3.801 30 20 CHED C[C@H]1Cc2cc(Nc3ccc(Cl)c(C#N)n3)ccc2O1 1164264801 IBOCMHBZWQWHGG-VIFPVBQESA-N 285.734 3.674 30 20 CHED N#Cc1ccc(Sc2nc3cccc(F)c3s2)nc1 1187422226 FJZGJTYQLUCHIS-UHFFFAOYSA-N 287.344 3.853 30 20 CHED N#Cc1cc(F)cc(NC(=O)N[C@@H]2CCc3ccccc32)c1 1192989380 LNBHXDWTIHRUAD-MRXNPFEDSA-N 295.317 3.506 30 20 CHED CCN(Cc1ccccc1F)Cc1ccccc1C#N 1204372567 HAAXWHKTQBPXOI-UHFFFAOYSA-N 268.335 3.719 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCc2c(F)cccc21 1215556453 NBWSKGKRTHXKSF-UHFFFAOYSA-N 295.317 3.600 30 20 CHED N#Cc1cccc(C#N)c1Oc1cccc(C=O)c1Cl 1261236369 GKRDEGBKFAGBKF-UHFFFAOYSA-N 282.686 3.688 30 20 CHED COc1c(C)cnc(CSCC2(CC#N)CC2)c1C 1261658117 WNDUZSTUFJAJJP-UHFFFAOYSA-N 276.405 3.634 30 20 CHED C=C(CC)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 1263750990 OMADBRKZGWTYNI-IAQYHMDHSA-N 261.340 3.701 30 20 CHED C[C@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CC[C@H]1C 1307091249 SVAKWHGUHCGFDE-JFGNBEQYSA-N 263.772 3.843 30 20 CHED N#Cc1ccc(N2Cc3ccc([N+](=O)[O-])cc3C2)cc1Cl 1318723902 GQTQQDNUZATLOE-UHFFFAOYSA-N 299.717 3.640 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)CCC3)o1 1319112542 JTYXAPVDIUFSKT-VQHVLOKHSA-N 252.313 3.973 30 20 CHED Cc1nc(Cn2ccc(-c3ccc(C#N)cc3)n2)c(C)s1 1319546712 LIKPAZINKKVRKT-UHFFFAOYSA-N 294.383 3.543 30 20 CHED COc1ccc(C=NOC(C)(C)C)cc1Br 1319685333 OWMLHDJIKCJFCK-UHFFFAOYSA-N 286.169 3.607 30 20 CHED N#CCc1cccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 1320364278 LOJMMUARRXFPMX-KCQAQPDRSA-N 255.365 3.528 30 20 CHED N#CCC[C@H](Nc1cccc(CC#N)n1)c1ccccc1 1320491122 RIMZXJBYDHMMTF-INIZCTEOSA-N 276.343 3.605 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC/C=C/C1CC1 1324733435 AJMXLLDJIKHDNU-RMKNXTFCSA-N 284.403 3.741 30 20 CHED N#CCCCN1CCC(Nc2ccccc2Cl)CC1 1326287997 OQBGCZSBDGWIPD-UHFFFAOYSA-N 277.799 3.520 30 20 CHED CC(C)n1cccc1-c1nnc(-c2cccc(C#N)c2)o1 1328429085 KAMYYNAKVMPNFK-UHFFFAOYSA-N 278.315 3.658 30 20 CHED Cc1nc(C(=O)OC[C@@H](C)C2CCCCC2)ccc1C#N 1330332973 ANXWMIDJCGBZRU-GFCCVEGCSA-N 286.375 3.635 30 20 CHED Cc1cn(CC(=O)O[C@H]2CCC[C@H](C#N)C2)c2ccccc12 1331158111 PHKJBGIXEPHKKQ-GJZGRUSLSA-N 296.370 3.575 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2cc(C)oc2C)CC1 1331748068 ACPSINIQCLXYOU-LBPRGKRZSA-N 261.365 3.820 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H](C)c1cccs1 1333389722 WNVWHWLCDVVDAY-GFCCVEGCSA-N 284.384 3.761 30 20 CHED CC(C)(C)ON=Cc1ccccc1N1CCCCC1 1334653940 LNYPCUSPWWUKEG-UHFFFAOYSA-N 260.381 3.826 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(F)cc2O)ccc1F 1335667461 XLNGXVPSZRWKBB-XVNBXDOJSA-N 290.265 3.575 30 20 CHED C=CCn1c([C@@H](C)CCC#N)nnc1N(C)c1ccccc1 1340346335 RBOUAABEZUPMKM-AWEZNQCLSA-N 295.390 3.639 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1cccc(C#N)c1 1342631615 SOPYBXMEPXWKFM-HNNXBMFYSA-N 263.312 3.520 30 20 CHED CC(C)[C@@H](OC(=O)c1csc(C#N)c1)c1ccccn1 1343483444 FZUKVTRMBCHZJB-CQSZACIVSA-N 286.356 3.569 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1 1347520991 DYYPEIHMCGNIKR-INIZCTEOSA-N 282.387 3.749 30 20 CHED C=C[C@@H](C(=O)Nc1scnc1C1CC1)c1ccccc1 1348173034 HVVPRQZCYSVIBQ-CYBMUJFWSA-N 284.384 3.929 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)c(F)c1 1351771048 BDPKBFYVZACWLP-KRWDZBQOSA-N 294.329 3.675 30 20 CHED C[C@H]1CCC[C@H](OC(=O)c2ccc(C#N)c(Cl)c2)C1 1352586066 HOCDDNQSAJKQIO-GWCFXTLKSA-N 277.751 3.947 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2cc(F)cc(C)c2C1 1460010521 HKZDRMJUYNWBLO-UHFFFAOYSA-N 294.373 3.873 30 20 CHED Cc1c(Cl)cncc1NCc1cccc(F)c1C#N 1474548818 FKANXDKLXWPINX-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=C(C)Cn1c([C@@H](C)SC)nnc1N1CCC[C@@H](C)C1 1524214566 ACNSSVUUBWSZRM-CHWSQXEVSA-N 294.468 3.515 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1F 1525019121 QOIGLTPQCBBCFQ-NSHDSACASA-N 274.339 3.852 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2ccc(C#N)cc2F)cc1 1534865893 GEZIOSHGXITTII-LBPRGKRZSA-N 283.302 3.924 30 20 CHED Cc1cc(C)c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 1535479735 YCHDDHVTXQPGHG-HUUCEWRRSA-N 271.360 3.851 30 20 CHED CC1CCC(C)(NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 1542705656 SRXZFEDWGQZYJA-UHFFFAOYSA-N 292.329 3.535 30 20 CHED CC[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccc(C)cc1 1559711791 SQWPFYPGELCUJL-RTBURBONSA-N 294.398 3.641 30 20 CHED CC(C)(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1F 1584674005 AKXCDVDNSFWOIQ-UHFFFAOYSA-N 296.345 3.905 30 20 CHED C=CCCCC(=O)Nc1cccc2cc(C(=O)O)sc12 1588782563 IZHXIBMBQKMCED-UHFFFAOYSA-N 289.356 3.894 30 20 CHED CC(C)(C#N)CCOc1cccc2cc(C(=O)O)ccc12 1589554537 DGBDPDFRMRILNH-UHFFFAOYSA-N 283.327 3.857 30 20 CHED N#Cc1c(F)cccc1SC[C@@H]1CCCC[C@H]1C(=O)O 1608194442 PLAYIOIPVYTVOI-WDEREUQCSA-N 293.363 3.680 30 20 CHED CC1CC(CN2CC=C(c3ccc(C#N)cc3)CC2)C1 1642576648 QLLPSVCGJREYKD-UHFFFAOYSA-N 266.388 3.693 30 20 CHED COc1cccc(CSc2ccc(C#N)cn2)c1C 1643636735 WUZFYKQMYLKYMX-UHFFFAOYSA-N 270.357 3.563 30 20 CHED C[C@@H](Cn1cc2c(c(C#N)c1=O)CCCC2)C1CCCCC1 1643959081 PGNHFALJDQDGAN-AWEZNQCLSA-N 298.430 3.815 30 20 CHED CCc1ccccc1CCOc1ccc(C#N)cc1F 1652720993 XEWOEBGPIMVHNL-UHFFFAOYSA-N 269.319 3.881 30 20 CHED CCc1ccc2c(c1)CN(Cc1ccc(C#N)c(C)c1)CC2 1659131875 OWKPPPHZPLODFT-UHFFFAOYSA-N 290.410 3.987 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 1678413159 LDRWVBHWXLLYMK-KRWDZBQOSA-N 285.391 3.911 30 20 CHED O=C(O)c1ccccc1NN=C1CCc2ccccc2CC1 1776030845 XLBCSGFHXIVBRP-UHFFFAOYSA-N 294.354 3.732 30 20 CHED O=C(O)c1ccccc1NN=C[C@@H]1C[C@@H]1c1ccc(F)cc1 1776030966 GGHYAOWXKKNSHO-SWLSCSKDSA-N 298.317 3.725 30 20 CHED CCCc1ccc(/C=C/C(=O)c2cncc(C(=O)O)c2)cc1 1776832188 OXKTULMYCPJWKK-CMDGGOBGSA-N 295.338 3.628 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2ccc(Cl)s2)c1 11489071 CWQQXPTYDURZAT-UHFFFAOYSA-N 295.722 3.769 30 20 CHED Cc1cc(Cl)ccc1NCC(=O)Nc1ccc(C#N)cc1 15290288 UKXQJXMFAZITAA-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(C)c1 23986664 OZGNKSGIOUSJQR-QGZVFWFLSA-N 278.355 3.748 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1ccc(C#N)c(Cl)c1 25801992 NZWXTIRQFOVSNS-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1ccc(NCc2ccc(F)cc2)cc1Cl 36964023 GNZDBXCNCSWAKY-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCN(CCOc1ccccc1C#N)c1cccc(C)c1 40234955 NIJRGCKQYQQLGW-UHFFFAOYSA-N 280.371 3.772 30 20 CHED CSc1nc2ccc(NC(=O)C(C)(C)C#N)cc2s1 42091632 GKKKGDRFCHWMTD-UHFFFAOYSA-N 291.401 3.506 30 20 CHED N#Cc1ccccc1CN1CCC[C@H]1C1CCCC1 44352423 HEWOCIGSUUAPTO-KRWDZBQOSA-N 254.377 3.713 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1C 46440958 XARRLQVQWTXOBD-CQSZACIVSA-N 289.338 3.670 30 20 CHED Cc1ccccc1C1=NN/C(=N\C2CCCCC2)SC1 48640236 LFKAECRWOPKMOO-UHFFFAOYSA-N 287.432 3.724 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC=CCC1 55891098 OJDTWJFSMDEGEI-MRXNPFEDSA-N 285.387 3.566 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1CC1CCCCC1 60837492 XGXOGZQSYIMXHF-HNNXBMFYSA-N 280.481 3.872 30 20 CHED Cc1cccc(C2(C(=O)Nc3ccc(CC#N)cc3)CC2)c1 64708034 UCDLZSDWRRJJOU-UHFFFAOYSA-N 290.366 3.731 30 20 CHED N#CCC[C@H](C#N)CSc1ccc(C(F)(F)F)cn1 66402929 ZVGPSCXCADLOBA-SECBINFHSA-N 285.294 3.636 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 67799930 AWMVTZKHNSLVLG-UONOGXRCSA-N 272.392 3.808 30 20 CHED COc1cccc(/C=C/C(=O)c2sccc2C)c1OC 72614288 YAQFLQBUCARYMW-BQYQJAHWSA-N 288.368 3.970 30 20 CHED C=CCn1c(S[C@H](C)CC)nc2sccc2c1=O 77907424 ZYQRKDQLXNGLJU-SECBINFHSA-N 280.418 3.535 30 20 CHED C[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)CC1 79442356 STPSFCSWNYKKJI-ZDUSSCGKSA-N 288.416 3.564 30 20 CHED N#Cc1cc2ccccc2nc1NCc1ccsc1 83686432 NKKNPYQCIYOAAD-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C[C@@H](C#N)CN(C)C(=O)C(C)(C)Cc1cccc(Cl)c1 84753292 ACOSMLMPFRYHIH-LBPRGKRZSA-N 292.810 3.527 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1nc2c(cc1C#N)CCC2 88298492 LIDOJPAAWHJUNY-VXGBXAGGSA-N 257.381 3.679 30 20 CHED CC(C)CCOc1ccc(CN(C)[C@@H](C)CC#N)cc1 93090910 YLOKLBYDFAFNPU-HNNXBMFYSA-N 274.408 3.845 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(CSC)c1 109390232 RRTKTHTWDPHTIT-UHFFFAOYSA-N 278.421 3.980 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)CCc2ccccc2)s1 110012906 GMRGRGGNZVURQC-KRWDZBQOSA-N 298.411 3.701 30 20 CHED C=CCN(C(=O)CC[C@H]1CCCCO1)c1ccccc1 110195285 GGUAAEAPPQTXQK-MRXNPFEDSA-N 273.376 3.555 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H](C)CC1CC1 112722595 ROXYCWNUADUMJG-GFCCVEGCSA-N 278.421 3.634 30 20 CHED C=CCCC(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 113653579 CZAIXPVHPMIOHO-CJNGLKHVSA-N 298.386 3.814 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc2ccc(C)nc12 114579677 FDUWWBWCXKDISW-UHFFFAOYSA-N 283.375 3.973 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CC2CCCCC2)C1 116808156 SYUSMEDHAZJCQH-CJNGLKHVSA-N 262.397 3.545 30 20 CHED C=CCCCSc1nc2sccc2c(=O)n1CC=C 117547511 BGWYRQFGMSZCDJ-UHFFFAOYSA-N 292.429 3.702 30 20 CHED C#CCCCCC(=O)NCc1cccc2ccccc12 119561791 STPTXPHNMBHDLM-UHFFFAOYSA-N 265.356 3.650 30 20 CHED C=CCCOCCNCc1ccc(Cl)c2cccnc12 120797018 YKXWFLDPJQFOKV-UHFFFAOYSA-N 290.794 3.571 30 20 CHED C#CCCCCC(=O)N(CC)c1ccc(C#N)c(Cl)c1 121532727 YDGQYJWUENHNQI-UHFFFAOYSA-N 288.778 3.758 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCc2ccccc21 121630325 QRXBERUQUZWLIE-INIZCTEOSA-N 255.361 3.559 30 20 CHED C=CC[C@@H](C)NCc1cc(F)cc(Br)c1 122249500 NLNYAVFLCYGVFL-SECBINFHSA-N 272.161 3.642 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccccc1Oc1ccccc1 123600361 OCBSYHMWKHOAKH-ZDUSSCGKSA-N 280.327 3.511 30 20 CHED Cc1cccc2c1C/C(=C\c1cnc3c(C)cccn13)C2=O 125369327 ZWYHLSJAHMMTDU-NTEUORMPSA-N 288.350 3.774 30 20 CHED CC(C)c1ncc(/C=C/C(=O)c2cnn(C(C)C)c2)s1 125426128 AARMJUIZFRWITC-AATRIKPKSA-N 289.404 3.940 30 20 CHED Cc1ccnc(NCc2ccc(C(C)C)cc2)c1C#N 129320843 PRIFMROVAAOOQQ-UHFFFAOYSA-N 265.360 3.997 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(C2CCCC2)n1 129631778 OGDVYPUJRGGREN-NSHDSACASA-N 263.410 3.535 30 20 CHED C=CCC[C@@H](NC(=O)Cc1ccoc1)c1ccccc1 130391391 KUCYWNTYRLQGIJ-MRXNPFEDSA-N 269.344 3.646 30 20 CHED COc1ccc(C#N)cc1CN(Cc1cccs1)C1CC1 130426967 JZWQAGXFBASELL-UHFFFAOYSA-N 298.411 3.793 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2cccnc2)cc1Cl 136088448 XNOXZZFSSAFEHB-MRXNPFEDSA-N 283.762 3.948 30 20 CHED C=CCCSCCC(=O)Nc1ccc(Cl)cc1 151984659 WFJGYWLVRKSZAZ-UHFFFAOYSA-N 269.797 3.978 30 20 CHED COc1ccccc1/C(C)=C/C(=O)O[C@H](C#N)C(C)(C)C 154275828 PEUYJFCSVFONCX-HBIYDYFMSA-N 287.359 3.580 30 20 CHED COc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc(C#N)cc1 154334094 GMOFOIBXYXWJOQ-SCLBCKFNSA-N 292.382 3.905 30 20 CHED C=CCN(C)C(=O)Nc1cccc(SC(F)F)c1 157301710 QRJFKDZIZNLLIH-UHFFFAOYSA-N 272.320 3.651 30 20 CHED CC[C@H](C#N)Oc1cccc(CNc2cccc(C)n2)c1 157571049 NAVUCDASMHNIHF-OAHLLOKOSA-N 281.359 3.683 30 20 CHED C=CCn1c(SCCC(C)C)nnc1-c1ccccn1 159675162 KDAGBPBVTIQGOB-UHFFFAOYSA-N 288.420 3.664 30 20 CHED C=C(C)CNC(=O)[C@H](C)Sc1ccccc1Cl 161135348 BOLQDZATLNABTN-JTQLQIEISA-N 269.797 3.513 30 20 CHED CC/C(=C/C(=O)N(C)C1(C#N)CCC1)c1ccc(C)cc1 161615759 FZBGNUUKZDEWMR-QINSGFPZSA-N 282.387 3.693 30 20 CHED CCOc1cccc(CN(C)Cc2cc(C#N)ccc2F)c1 161656137 KNZRLYNDHUFDMT-UHFFFAOYSA-N 298.361 3.728 30 20 CHED COc1ccc(C(=O)/C=C/c2cccnc2Cl)cc1 171349469 VRNGRLFDNPCDEY-RMKNXTFCSA-N 273.719 3.640 30 20 CHED N#Cc1cc(NC(=O)C2[C@H]3CCCC[C@H]23)ccc1Cl 174058102 XQWGXDPJJQWYGW-RYUDHWBXSA-N 274.751 3.586 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1c1cccc(Cl)c1 174123751 OAOGFPGDPITVDZ-HNNXBMFYSA-N 290.794 3.600 30 20 CHED Cc1csc([C@H](NCc2ccc(C#N)cc2)C2CC2)n1 174542415 KRUVNFGCHZTMBU-OAHLLOKOSA-N 283.400 3.564 30 20 CHED Cc1cccc(C(=O)/C=C/c2cc(C#N)cs2)c1 176839746 GEFNBYUASPRRBQ-AATRIKPKSA-N 253.326 3.824 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)Cc1ccccc1F 178380061 YGXNRRDZTSEQOP-GFCCVEGCSA-N 296.345 3.823 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)CCC[C@H]1C 178535248 CQYRGZOGSPBMKY-CHWSQXEVSA-N 285.391 3.909 30 20 CHED CC[C@H](C#N)NC(=O)Cc1csc2ccc(Cl)cc12 179295919 DLICKRDROMETRE-LLVKDONJSA-N 292.791 3.516 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@H]2CCCC(C)(C)C2)n1 179376125 GVFDUSIMMQWYFO-NWDGAFQWSA-N 276.405 3.844 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)cc1 179395020 XCOCRGSVJBWHCS-KUHUBIRLSA-N 276.383 3.971 30 20 CHED C=C[C@@H](CC(=O)N(CC(F)(F)F)C1CC1)c1ccccc1 179985604 XMRJFXDYJZHLEE-LBPRGKRZSA-N 297.320 3.900 30 20 CHED C=C(C)CN(C)C(=O)CSCc1ccc(Cl)cc1 180454741 CZHSHRFLIGUSFG-UHFFFAOYSA-N 283.824 3.608 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 180954219 RBPLIAKMCRZAAX-QWHCGFSZSA-N 287.407 3.586 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC2(CCCC2)C1 181381746 AIYSRXHXRWEUJO-CQSZACIVSA-N 264.413 3.707 30 20 CHED CCOC(=O)Nc1ccc(NCc2ccc(C)o2)cc1C#N 181508058 MHUYYVIBAONQKQ-UHFFFAOYSA-N 299.330 3.640 30 20 CHED CO[C@H](C)COc1ccc(Oc2ccc(C#N)cc2)cc1 181678981 REGDPZSXZIXMPG-CYBMUJFWSA-N 283.327 3.764 30 20 CHED C=CCC[C@@H](O)CN[C@@H](CC)c1cccc(Cl)c1 182598870 WZKNBTWXVRBTFD-CABCVRRESA-N 267.800 3.708 30 20 CHED C=C(C)CCOC(=O)CCCOc1ccc(C(C)=O)cc1 183005895 LZOXWZSIRFRLGY-UHFFFAOYSA-N 290.359 3.558 30 20 CHED CCC(CC)CNC(=O)Nc1ccccc1O[C@H](C)C#N 184308884 ZRDVCHUDCLBMAP-GFCCVEGCSA-N 289.379 3.535 30 20 CHED CC[C@@H](C)Sc1ccc(NC(=O)CC#N)c(C)c1 184433218 SUTWVNLHNSYAEG-LLVKDONJSA-N 262.378 3.738 30 20 CHED C=C(C)[C@@H](NC(=O)C1[C@H]2CCC[C@H]12)c1ccc(F)c(F)c1 184838223 DSDOLQBDIITTSB-MQIPJXDCSA-N 291.341 3.744 30 20 CHED C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)Oc1ccc(Cl)cc1 185846609 AVVMPCSMUCUQCK-VNHYZAJKSA-N 292.810 3.779 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(Oc2ccccc2)o1 187949730 AAFRNVFPKVLWRD-GFCCVEGCSA-N 285.299 3.921 30 20 CHED C=CCCN(OCc1ccccc1)c1ccc([N+](=O)[O-])cn1 188546565 FJHNVFPIIXKYBO-UHFFFAOYSA-N 299.330 3.504 30 20 CHED C=CCC1(C(=O)Nc2cccc(-c3nccn3C)c2)CCC1 189005036 HOYAPWFSHXKNBC-UHFFFAOYSA-N 295.386 3.772 30 20 CHED Cn1cc(CNC2CCC(c3ccccc3)CC2)cc1C#N 189581513 MEERXDGYMPTURP-UHFFFAOYSA-N 293.414 3.713 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2ccc(C#N)c(F)c2)cc1 191865546 VJJDKLVHXZQILK-CYBMUJFWSA-N 298.361 3.899 30 20 CHED CCCCCCCC(=O)NC[C@H](O)c1ccc(C)cc1 193234451 XPFVTIYBXYPZLW-INIZCTEOSA-N 277.408 3.505 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)CCc2ccc(C#N)cc2)C1 193288768 YHGSTRCYQHGSMD-RHSMWYFYSA-N 284.403 3.528 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1c(F)cccc1F 193767379 UZWNHGGMAKRUKN-NSHDSACASA-N 284.302 3.552 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)Cc1cccc(C#N)c1 194054014 DBXKFCINMBSPBX-RHSMWYFYSA-N 299.418 3.526 30 20 CHED N#Cc1ccc(CC(=O)N2CCC[C@@H]2c2cccs2)cc1 194715739 GMHQDTHNWYVNQA-OAHLLOKOSA-N 296.395 3.526 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H]1CCCC[C@H]1C 229149311 MOWCLGDILMXFTE-CXAGYDPISA-N 256.393 3.877 30 20 CHED CC(C)c1ccc(CNCCCCC#N)cc1[N+](=O)[O-] 236745892 LZFHKVZHMWFCET-UHFFFAOYSA-N 275.352 3.502 30 20 CHED Cc1ccccc1CNCc1ccc(O[C@H](C)C#N)cc1 237578920 KRXXOLLLWCMONG-OAHLLOKOSA-N 280.371 3.576 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](c1ccco1)N1CCCC1 248060294 YFEWRJMWWRWJBP-HRCADAONSA-N 276.424 3.607 30 20 CHED CCC(=NNc1nc2ccccc2[nH]1)c1ccc(F)cc1 254733631 AHPNTJFGRMJLOR-UHFFFAOYSA-N 282.322 3.928 30 20 CHED O=C(/C=C\c1nc(-c2ccccc2)c[nH]1)c1ccc(O)cc1 255412192 BLYUGAOLBRKJAV-KHPPLWFESA-N 290.322 3.678 30 20 CHED C#CC[C@H](NC(=O)N(CCC)CCC)c1ccccc1 270509174 ZVTLAFRBMCKPIQ-INIZCTEOSA-N 272.392 3.583 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccccc2OCC)no1 273778706 VGFRAXWIWIUYOU-GFCCVEGCSA-N 288.347 3.789 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC)c1ccc(F)cc1F 276315093 VCNWTRYZNLLIKZ-CQSZACIVSA-N 282.334 3.633 30 20 CHED C=CC[C@H]1N(C(=O)c2cnn(CCC)c2)CCCC1(C)C 278529222 ZYJFXMRRWFEJSM-OAHLLOKOSA-N 289.423 3.500 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(-c2ccco2)nn1C(C)C 279012639 ANGOXDSWSBLXDE-UHFFFAOYSA-N 299.374 3.712 30 20 CHED COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@H](C)CCC#N 279858070 FMNOYCBVGMVBKE-UKRRQHHQSA-N 291.416 3.505 30 20 CHED CO[C@]1(C)CCCN([C@@H](C)c2cccc(C#N)c2)CC1 280588963 UEFMUFBPSBCYTC-WMLDXEAASA-N 272.392 3.510 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCC=C(C)C 280968927 ZYSIYDOXNPXNJR-PMPSAXMXSA-N 251.414 3.692 30 20 CHED CC[C@H](CC#N)NCc1ccc(N(C)c2ccccc2)nc1 281114698 WKZWTRDCXPZYOO-MRXNPFEDSA-N 294.402 3.631 30 20 CHED N#CCCN(CCCCC1CCOCC1)Cc1ccco1 282086912 UZESGIQTKZLGBV-UHFFFAOYSA-N 290.407 3.592 30 20 CHED CCCC[C@@H](C)C(=O)Nc1ccccc1O[C@H](C)C#N 283615611 UTZUXHDQDQOCFK-CHWSQXEVSA-N 274.364 3.742 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Cc2ccncc2)cc1 285181481 ZMXZJHKRPWEKQH-GOSISDBHSA-N 293.370 3.551 30 20 CHED C#C[C@H](C)NC(=O)Nc1c(CCC)cccc1C(C)C 287091589 IZZWVTNTCBBPHZ-ZDUSSCGKSA-N 272.392 3.906 30 20 CHED CC[C@@H](c1ccncc1)N(C)c1nc(Cl)c(C#N)s1 287296918 MLNLYZNNXVTPFT-JTQLQIEISA-N 292.795 3.651 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)c1cccc(N2CCCC2)c1 288091582 ZYQBTDBMKQHCQF-AWEZNQCLSA-N 292.386 3.727 30 20 CHED C#CCCCC(=O)Nc1cc(C)c(Br)cc1F 288900820 FWNZFJXIPDZDSG-UHFFFAOYSA-N 298.155 3.639 30 20 CHED CC(C)(C#N)CCCCOc1ccc([N+](=O)[O-])c(F)c1F 296123870 YQGMBZLUMLBJEM-UHFFFAOYSA-N 298.289 3.972 30 20 CHED CC[C@@H](CNc1ccc(C#N)cn1)Oc1ccccc1C 301570458 QZAMEFXSAAGDTG-HNNXBMFYSA-N 281.359 3.531 30 20 CHED Cc1cnc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)s1 301570546 RBCYXUSTYWDMEY-MRVPVSSYSA-N 278.768 3.545 30 20 CHED CCc1nnc(Oc2ccc3c(c2)CCC3)c(C#N)c1CC 301617778 KQAFVPOQUVODFF-UHFFFAOYSA-N 293.370 3.754 30 20 CHED C#Cc1cccc(N(C)CCCOCCc2ccccc2)c1 303127539 APRUOJJOWRXQPS-UHFFFAOYSA-N 293.410 3.754 30 20 CHED Cc1nc(C#N)cc(NC2CC(C)(C)CC(C)(C)C2)n1 308267999 QLNUNLMHMQJDKT-UHFFFAOYSA-N 272.396 3.674 30 20 CHED CC(O)=Nc1ccc(F)c(N=C(O)[C@H]2CCCC(O)=N2)c1 328790485 LJSQZLSXGSKZOH-LLVKDONJSA-N 293.298 3.531 30 20 CHED CC1(C)CCC[C@H](C/C(O)=N/[C@H]2CCc3c[nH]nc3C2)C1 328807460 IIQHFXKDRDUJTQ-OCCSQVGLSA-N 289.423 3.830 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1/N=C(/O)[C@H]1CCCC(O)=N1 328833135 WAIRWQMKBJLAEU-GRYCIOLGSA-N 266.385 3.667 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)[C@@H]2C[C@H]3CC[C@H]2O3)[nH]1 330272247 XIMBEOPTXVZZLE-UXIGCNINSA-N 297.358 3.541 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 330536205 PBKSFOKWIYQSNA-BMGDILEWSA-N 298.430 3.797 30 20 CHED CC[C@H](/N=C(/O)c1occc1C(C)C)C1CCOCC1 330552529 XYPNOVHPRIGBFN-AWEZNQCLSA-N 279.380 3.913 30 20 CHED CC(C)c1[nH]ccc1C(O)=Nc1cnn(C(C)(C)C)c1 330584298 KZENFMULPOMQDX-UHFFFAOYSA-N 274.368 3.726 30 20 CHED CC(C)c1ccc(/C(O)=N/[C@H](C)[C@H]2CCCOC2)c(O)c1 331245736 UDHOPCGHVGUTAC-OCCSQVGLSA-N 291.391 3.635 30 20 CHED N#C[C@@]1(C(=O)NC(C2CCC2)C2CCC2)CC12CCCC2 333644262 CQJAIQQEYPWPRF-GOSISDBHSA-N 286.419 3.545 30 20 CHED CC1(C#N)CCN(c2nc(C3CCCCC3)ns2)CC1 333703726 RENYPMCCPBETCM-UHFFFAOYSA-N 290.436 3.716 30 20 CHED N#C[C@@H]1CC[C@H](N2CCCc3c([nH]c4c(F)cccc34)C2)C1 334342720 QFVGPHUYEVUIQG-OLZOCXBDSA-N 297.377 3.747 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1csc(Cl)c1 335083004 ZSHSYJCYWMOHBN-UHFFFAOYSA-N 291.763 3.567 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CC12CCCC2 335192177 LFTSBFPITXCJTR-ZDUSSCGKSA-N 288.778 3.925 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]1C(C)C 336192103 FZWWVTUUSMQYBF-HNNXBMFYSA-N 271.364 3.519 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1CCCc2sccc21 336407350 OJGZFDHCTFZUCT-MLGOLLRUSA-N 290.432 3.613 30 20 CHED C=CCn1c(SCCC(C)(C)C)nnc1C1CC1 340636322 OQBVTAULNYPWCM-UHFFFAOYSA-N 265.426 3.870 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(NC(C)=O)c2C)n1 340825348 NWFBTBDZTPZQQC-UHFFFAOYSA-N 299.374 3.857 30 20 CHED N#CC1(CN(C2CC2)[C@@H]2CCCc3ccccc32)CC1 343316537 SSJDXBSIZXBESW-QGZVFWFLSA-N 266.388 3.832 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CCC(=O)[C@@H](C)C1)c1ccccc1 344367713 NAUYMXAJOZMQMI-XIRDDKMYSA-N 299.414 3.815 30 20 CHED C[C@H](NC[C@H]1CCCCS1)c1ccc(C#N)c(F)c1 346799107 QFAGBBGDOJQXMT-SMDDNHRTSA-N 278.396 3.634 30 20 CHED CCCOC1(CNc2nc(C)ccc2C#N)CCCCC1 346842284 VIIVIDGSMADQQK-UHFFFAOYSA-N 287.407 3.803 30 20 CHED C=CCOCCCN1CCCC[C@@H]1c1nc(C)cs1 347957939 AYPZAEFZNCBXHO-CQSZACIVSA-N 280.437 3.571 30 20 CHED C[C@@H]1CCSCCN1Cc1ccc(C#N)cc1Cl 348149533 KAKUQQDKRFGLAU-LLVKDONJSA-N 280.824 3.539 30 20 CHED C=C(CNC(=O)Nc1ccc(OC)cc1)c1ccccc1 348173145 VIZQJLKUBHUTPI-UHFFFAOYSA-N 282.343 3.530 30 20 CHED CC[C@@H](CC#N)N[C@H](C)CCc1ccc(F)cc1F 348259221 DJURXFPCHDPEQY-RISCZKNCSA-N 266.335 3.568 30 20 CHED C[C@@H](CCC#N)N1CCC[C@H]1c1cccc(N(C)C)c1 351470736 FMKIVZLBZIWPPW-YOEHRIQHSA-N 271.408 3.582 30 20 CHED CCc1nocc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 351759792 LQQKMBZQRVCGSG-AEFFLSMTSA-N 295.386 3.509 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc2ccc(C)nc12 352494953 HFFVPZBWHLERDP-UHFFFAOYSA-N 282.387 3.875 30 20 CHED C[C@@H]1CC[C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1 353990546 MWNQSAZHYSVLAF-INMHGKMJSA-N 299.418 3.767 30 20 CHED CCC1(CNC(=O)NCC(C)(C)CCC#N)CCCC1 354419563 XMBNYIRBBGCUOG-UHFFFAOYSA-N 279.428 3.586 30 20 CHED CCN(CCNc1ccc(C(F)(F)F)cc1C#N)C(C)C 357238312 XSRQNUQECNLZKH-UHFFFAOYSA-N 299.340 3.719 30 20 CHED C=C(C)CSCc1ccc(S(=O)(=O)C(C)C)cc1 358832858 NLZQPOHRDGZJKH-UHFFFAOYSA-N 284.446 3.678 30 20 CHED Cc1oc2ccccc2c1CC(=O)Nc1ccc(C#N)cc1 362242191 CAINZECNMDGVFO-UHFFFAOYSA-N 290.322 3.794 30 20 CHED C=CCC[C@H](CCC)NC[C@@H]1CCCn2cc(C)nc21 374575737 MZGRJYGLMJFFTG-HOTGVXAUSA-N 275.440 3.793 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(OC)cc1F 385154647 KROKJSKDXHDPHJ-NSHDSACASA-N 251.345 3.697 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 397654432 FPDMANGUPGCDAM-SNVBAGLBSA-N 297.185 3.759 30 20 CHED CSc1ccc(C(=O)N2CCC(CCC#N)CC2)cc1 399294121 CCUHFAMKSCWWFQ-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1CCCC1(C#N)CCOCC1 410378564 MVEXHINGNJCXAL-IAGOWNOFSA-N 292.467 3.988 30 20 CHED C[C@H]1CCCCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 410490275 RJFRXEYUQBRVRH-HNNXBMFYSA-N 298.430 3.918 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)CCC(C)(C)C 410831733 ALIMPKNHCWZPDH-STQMWFEESA-N 252.402 3.599 30 20 CHED C=CCCO[C@H](C)C(=O)N(C(C)C)[C@H](C)c1ccccc1 410898056 VBMZTJYXEYYYFB-HZPDHXFCSA-N 289.419 3.966 30 20 CHED Cc1nc(NC(=O)c2ccc(C(C)(C)C)s2)ccc1C#N 411056545 ZPXSRYLMWBXVLQ-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NCCC#N 411767858 CMZMUVDCORVIAU-OAHLLOKOSA-N 264.800 3.800 30 20 CHED C=C(C)CCc1noc([C@H](CC)OC2CCCC2)n1 420503678 LTEXSMAXTJMYFB-ZDUSSCGKSA-N 264.369 3.989 30 20 CHED C=C(C)[C@H](NC(=O)[C@]12CCC[C@H]1C2)c1ccc(F)c(F)c1 421532166 PQMNPAUAPIMREP-NUTKFTJISA-N 291.341 3.888 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@H]1C 424632986 YNTAWKPBEAJJNK-BXUZGUMPSA-N 256.349 3.632 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2[nH]c(CC)cc(=O)c2c1 424786410 LYQKDGGRZIFUFX-UHFFFAOYSA-N 298.386 3.631 30 20 CHED C=CCCN(C)C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 424795772 PPJAGVLQENTKGE-TYUFSLCMSA-N 289.341 3.636 30 20 CHED C=C(C)C(C)(C)C(=O)N=c1cc(C)n(C2CCCCC2)[nH]1 424827673 MNPORANZBRSYQO-UHFFFAOYSA-N 289.423 3.659 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(CC#N)cc1 425530613 FQEDGBBGXOTGIJ-OAHLLOKOSA-N 289.382 3.817 30 20 CHED Cc1nc(C(C)C)oc1CNC1(c2cccc(C#N)c2)CC1 428332396 RCHHBSKHNQBVSD-UHFFFAOYSA-N 295.386 3.757 30 20 CHED N#CCC1(CN[C@H]2CCCCc3ccccc32)CC1 429782465 IPSOBKWVRLAVEY-INIZCTEOSA-N 254.377 3.738 30 20 CHED N#CCC1(CN[C@@H]2CCSc3ccc(F)cc32)CC1 430743920 MCTWFVXUESELPN-CYBMUJFWSA-N 276.380 3.646 30 20 CHED C=CCOCCCS[C@@H](C)c1cc(C(=O)OC)c(C)o1 431106619 NUYVAJFGSDYTTR-LBPRGKRZSA-N 298.404 3.762 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC=CCC1 442904598 REOGWGUDDZTMDT-LSDHHAIUSA-N 254.377 3.907 30 20 CHED C=CCN(CCO[C@@H]1CCCCO1)CC1CCCCC1 444647985 IOSHRXRMBFIWOT-QGZVFWFLSA-N 281.440 3.598 30 20 CHED CC1(C)CCCN(CC#Cc2cccc(Cl)c2)[C@H]1C#N 444723378 KQFNIWRPHOAWLF-INIZCTEOSA-N 286.806 3.706 30 20 CHED N#Cc1cccc(CN2CCCC3(CCCC3)C2)c1F 445852777 YBNOLZBFFPWJOW-UHFFFAOYSA-N 272.367 3.854 30 20 CHED CCN(CCCc1c(F)cccc1Cl)C[C@@H](C)C#N 447743035 FZAOYGCWFFLLOZ-LBPRGKRZSA-N 282.790 3.893 30 20 CHED Cc1ccc(C)c(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 447901630 HNRSPSCZVSGOEA-MOPGFXCFSA-N 298.430 3.731 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(OC)cc2)CCCC1 449093973 XWRLBEQUQIBBCW-UHFFFAOYSA-N 287.403 3.790 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC1CC(c2ccccc2Cl)C1 449546261 BEUJREDZCMLBRG-YCUKKYJWSA-N 291.822 3.909 30 20 CHED C=CCC1(NCc2ncc(CN(C)C)s2)CCCCC1 449576649 UQTBHTNNJAQPCA-UHFFFAOYSA-N 293.480 3.573 30 20 CHED COc1ccc(CN(CC2(C#N)CCC2)[C@@H](C)C2CC2)cc1 450288760 UDZRJORISVZGPB-HNNXBMFYSA-N 298.430 3.990 30 20 CHED C=CCCCCCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 451477730 IMUPLPJIALVAOW-KFWWJZLASA-N 251.414 3.526 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CSc2ccccc21 452228732 VTSPWQJPHGAXAS-AWEZNQCLSA-N 287.428 3.761 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1ccc(F)cc1 453368674 UWTSZYQMSFULKU-OAGGEKHMSA-N 263.356 3.600 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)NC1CCCCCC1 454190565 INFGVOZHUPABMJ-UHFFFAOYSA-N 298.430 3.966 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](C)c1cc(C)ccc1C 455313737 QWMFEIBKAHNZSF-OAHLLOKOSA-N 274.408 3.972 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1ccc(C)s1 455518445 GVVRUPPGIOCBBS-ZDUSSCGKSA-N 278.421 3.869 30 20 CHED C=CCC1(C(=O)NC2CCc3ccccc3CC2)CCC1 456456024 LKYYMKOPJAQSIY-UHFFFAOYSA-N 283.415 3.797 30 20 CHED C=CCCC1(C(=O)NC2CCc3ccccc3CC2)CC1 456468102 ZEECMGYJPNHVIS-UHFFFAOYSA-N 283.415 3.797 30 20 CHED C=C(CC)CNC(=O)C[C@H](CC)c1ccc(OC)cc1 456811893 KRSRUJHIVLMRDV-AWEZNQCLSA-N 275.392 3.661 30 20 CHED CC(C)CCCCC(=O)N1CCCC(C)(C)[C@@H]1C#N 457767495 WCZRSBVOKJTMDZ-AWEZNQCLSA-N 264.413 3.744 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(OC)c(Cl)c(OC)c1 458214308 FDTNMCIRYRLTIQ-UHFFFAOYSA-N 283.755 3.508 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(CN(C)C)c(C)c1 458260809 IJIJOKQTYNETOP-QGZVFWFLSA-N 274.408 3.597 30 20 CHED CCC1(CNC(=O)N(C)CC(C)(C)C#N)CCCCC1 458635727 BQHUOKWZWHDJHS-UHFFFAOYSA-N 279.428 3.538 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC1CCC(CSC)CC1 458934734 SYKJLGCDJNMZDS-NRXISQOPSA-N 296.480 3.658 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCC(C)(C)CC#N 459227764 BXIDYKLHDIACQT-ZIAGYGMSSA-N 293.455 3.782 30 20 CHED C=CC[C@H](CC)NC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 466395225 JFHIADWLRVCPGC-QPSCCSFWSA-N 264.413 3.704 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2ccc(OC)cc2)CC1 467525663 OGEVJRGVKQYTHR-UHFFFAOYSA-N 285.387 3.569 30 20 CHED C=CCCCCCN(C)Cc1cc(F)ccc1C#N 468800975 CAWFQTCKASQFAJ-UHFFFAOYSA-N 260.356 3.876 30 20 CHED CC[C@@H](CN(C)CC#N)Oc1ccc(Cl)c(Cl)c1 469744700 IJPBCLVWSXGXGG-JTQLQIEISA-N 287.190 3.606 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1noc(C(C)(C)C)n1 470913040 LNMAXKSOZPFHIV-UHFFFAOYSA-N 299.418 3.945 30 20 CHED C=C(C)C[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C 471223554 RVEBKRNUBKOCMB-ZDUSSCGKSA-N 284.403 3.705 30 20 CHED CC(C)N(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 473766386 XHSLGFIMWGZFQT-UHFFFAOYSA-N 292.382 3.959 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@H]1CCC(=O)[C@H]1C 475906026 OKCDXRLGHBKRTJ-GOEBONIOSA-N 291.435 3.587 30 20 CHED C=CCSCCNC(=O)N(CC(C)C)C1CCCC1 481742022 NWZVNSSFICLBCZ-UHFFFAOYSA-N 284.469 3.516 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1ccsc1 482912462 RJMXEWBFMYXKFV-UHFFFAOYSA-N 277.433 3.886 30 20 CHED CC[C@@H](Cc1ccccc1)N(CC)Cc1cc(C#N)n(C)c1 483283883 JDXHQKXJULTDOK-SFHVURJKSA-N 295.430 3.740 30 20 CHED C=CCNC(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 483823765 ZTRMWDOIESUCBH-OAHLLOKOSA-N 286.375 3.924 30 20 CHED Cc1cc(NC(=O)NCC(C)(C)C#N)cc(C)c1Cl 484492325 WOEOXZYXYOXJLT-UHFFFAOYSA-N 279.771 3.628 30 20 CHED C=CC1CCN(C(=O)[C@@H](CC)Oc2cccc(C)c2)CC1 487235451 JWESZIKVYIUOHZ-QGZVFWFLSA-N 287.403 3.577 30 20 CHED Cc1nc(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)ccc1C#N 488088958 YRDRKIYKYMVSPD-WBMJQRKESA-N 295.361 3.783 30 20 CHED C=C(C)CNC(=O)NCc1ccc(C)cc1O[C@@H](C)CC 488544091 LGMLQXCAVPAVLJ-AWEZNQCLSA-N 290.407 3.548 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCCC2 488852342 KDQOXLCJOZBZRV-QGZVFWFLSA-N 269.388 3.746 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCCC(C)C 501103631 XJQKRIHYRAPYPO-UHFFFAOYSA-N 274.408 3.820 30 20 CHED Cc1cc(F)cc2c1CN(CCCC(C)(C)C#N)CC2 502917214 BJGCRFNKZATTST-UHFFFAOYSA-N 274.383 3.822 30 20 CHED C=CCCCNC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@H]1C 507456349 QBIHJOVKVFNCRO-WBMJQRKESA-N 292.810 3.841 30 20 CHED C=C(C)CN(C)c1nnc(-c2cccc3ccccc23)n1C 508522831 VROPXFUVWQNHLB-UHFFFAOYSA-N 292.386 3.648 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1Oc1ccncc1 510753314 RBDOVUNTXKGPHY-CQSZACIVSA-N 296.370 3.958 30 20 CHED C=CC[C@H](C)NC/C(C)=C/c1ccccc1COC 511082829 VHZQOVBEFJTLQS-GOFCXVBSSA-N 259.393 3.791 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1nc(C)cc(C)c1C#N 511699434 SZIRFQXGHJGKHZ-KRWDZBQOSA-N 277.371 3.978 30 20 CHED C[C@@H](C#N)CN(C)Cc1cccc(OCc2ccccc2)c1 513962946 IFNPXRAJTJSQAE-INIZCTEOSA-N 294.398 3.857 30 20 CHED C=CCC(F)(F)c1nc(-c2cc(F)ccc2C)no1 516669253 VBLQAGVHHCBHBD-UHFFFAOYSA-N 268.238 3.852 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1cccc(C(F)F)c1 530423035 TZHAMQPOCYXPCV-LJQANCHMSA-N 285.359 3.813 30 20 CHED C/C=C\c1ccc(Oc2cccc(C#N)n2)c(OC)c1 535127926 AHROULPNKWXQII-HYXAFXHYSA-N 266.300 3.787 30 20 CHED Cc1ccccc1O[C@H](C)CN[C@H](C)c1cccc(C#N)c1 537288716 QFZLPFROHGFBAP-HZPDHXFCSA-N 294.398 3.985 30 20 CHED CC#CCN[C@H](c1ccc(F)cc1)c1cccs1 539521307 SIJIABHNERLBFB-OAHLLOKOSA-N 259.349 3.590 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@H](C(C)(C)C)C1 543201892 GXIZERORSWGZLP-KGLIPLIRSA-N 266.429 3.809 30 20 CHED C=CCCCCNC(=O)Nc1cccc2c1ccn2C 546035065 FUACHRYZCIGWET-UHFFFAOYSA-N 271.364 3.656 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 548287819 MNFOAZAZRVWGHI-AWEZNQCLSA-N 290.794 3.910 30 20 CHED C[C@H]1C[C@H](CCNc2cccc(F)c2C#N)C[C@@H](C)O1 549259647 JGFSDDGIADEHOH-CLLJXQQHSA-N 276.355 3.703 30 20 CHED 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C=CCC(CC=C)C(=O)OCc1ccc(F)c(C#N)c1 759010075 INZWDEJQBNOLON-UHFFFAOYSA-N 273.307 3.509 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2O)s1 759092217 WZHMZPDTXUOWKR-ALCCZGGFSA-N 289.312 3.566 30 20 CHED COc1cccc2c1C/C(=C\c1ccccc1F)C2=O 759665943 SJRWCFCLNNUHTK-FMIVXFBMSA-N 268.287 3.657 30 20 CHED C#CCCc1noc(CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 762012163 VEQQSNGGEFAVCD-QLFBSQMISA-N 290.407 3.613 30 20 CHED N#Cc1ccc(C(=O)OCC[C@H]2CCCc3ccccc32)[nH]1 763047100 KPZHXBFCRRKLSR-CQSZACIVSA-N 294.354 3.553 30 20 CHED C#CCN(C(=O)CSc1ccc(C(C)C)cc1)C1CC1 763796179 YKWQGQZNVBFWNQ-UHFFFAOYSA-N 287.428 3.526 30 20 CHED C#CCN(CC)C(=O)c1ccccc1N(C)c1ccccc1 764211091 OIHWHOGQTJUJCU-UHFFFAOYSA-N 292.382 3.550 30 20 CHED COc1cccc2cc(C(=O)OCC(C)(C)CC#N)oc12 764834529 PZFZNFYFABSQMT-UHFFFAOYSA-N 287.315 3.538 30 20 CHED FC(F)(F)CON=Cc1csc(-c2cccs2)n1 764844634 KOCAJNGVPZJSQM-UHFFFAOYSA-N 292.307 3.784 30 20 CHED C#CCCCN[C@H](c1ccc(F)cc1)c1cccs1 766732868 XMOCFXJFBSCOMA-MRXNPFEDSA-N 273.376 3.980 30 20 CHED C=C(Br)CN1CCSC(CC)(CC)C1 766991482 XQISICIZQPIBNI-UHFFFAOYSA-N 278.259 3.503 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNC(=S)Nc1ccccn1 767802985 FVJOELFSXYALDT-NSHDSACASA-N 290.436 3.570 30 20 CHED CCC1(C)CCC(=NNC(=S)Nc2ccccn2)CC1 767807061 VKIVLWYTTYDHSY-UHFFFAOYSA-N 290.436 3.714 30 20 CHED COc1cc2c(cc1/C=C\C(=O)c1ccco1)O[C@@H](C)C2 769784054 ONRPUYJHPOZYER-GZTOBOFZSA-N 284.311 3.508 30 20 CHED CCCC(CC)=NNc1ccnc(Br)c1 769804867 JZMPGSFQJFQFOG-UHFFFAOYSA-N 270.174 3.822 30 20 CHED N#C[C@H](OC(=O)c1cncc2ccccc12)C1CCCCC1 772291536 JVJFSHKRGCWWEP-KRWDZBQOSA-N 294.354 3.864 30 20 CHED Cn1ccc(/C=C/C(=O)c2ccc(SC(F)F)cc2)n1 773154978 YSDBYKXFDFHCBQ-QPJJXVBHSA-N 294.326 3.631 30 20 CHED CC(C)C(CCc1ccccc1)=NOC1CCOCC1 774443835 GBQXAMJKZXULGQ-UHFFFAOYSA-N 275.392 3.827 30 20 CHED C#CCC(C)(C)c1nc([C@H]2CCCc3ccccc32)no1 774807000 GDTOUTMPVFPFCJ-HNNXBMFYSA-N 280.371 3.839 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@H]1CCC[C@H](C)C1 775938676 BHRGVEJURGVJFP-GJZGRUSLSA-N 285.387 3.854 30 20 CHED C=C[C@H](CC)OC(=O)c1ccc2nc(C(F)F)[nH]c2c1 776109726 QEGOPQXCESUFJJ-SECBINFHSA-N 280.274 3.622 30 20 CHED COc1cccc(C(=O)/C=C/c2nc3c(s2)CCCC3)c1 776263915 UMIBTGOQVKMXRO-MDZDMXLPSA-N 299.395 3.927 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCO[C@@H](C)C1 776306674 PJAZUEIWXNBHOY-HRCADAONSA-N 283.456 3.914 30 20 CHED Cc1cccc(CC(=O)O[C@H](C#N)C2CCCCC2)c1 776381991 PQIZXRUZFFANHY-MRXNPFEDSA-N 271.360 3.553 30 20 CHED Cc1nc(-c2ccco2)ccc1C(=O)OCCC(C)(C)C#N 776382452 VYBUMJNBBMCDLD-UHFFFAOYSA-N 298.342 3.747 30 20 CHED C[C@H](OC(=O)Cc1ccccc1CC#N)c1cccc(F)c1 776968698 UQECTCJWRSXQEH-ZDUSSCGKSA-N 297.329 3.739 30 20 CHED CCn1nc(C=NOC2CCCCC2)c2ccccc21 777459798 RGLVKXNLMIFXDE-UHFFFAOYSA-N 271.364 3.739 30 20 CHED C=CCC[C@@H](C(=O)N1CCc2ncccc21)c1ccccc1 777747123 PUYGQAFLSXPJAU-MRXNPFEDSA-N 292.382 3.721 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(F)c(F)c1 777912713 CKEIPAYXUKHRRG-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C(=NN=c1cc[nH]cc1)c1ccccc1-c1ccccc1 779810228 ZPASXJYRIJTEIP-UHFFFAOYSA-N 273.339 3.617 30 20 CHED C#CCCCCCC(=O)Nc1cccc(OCCF)c1 779933890 NWRQCFNKZKTYPI-UHFFFAOYSA-N 277.339 3.557 30 20 CHED CCN(C)c1ccc(C(C)=NNc2ccnc(F)c2)cc1 781128481 XEDUOZLGVRWWJE-UHFFFAOYSA-N 286.354 3.513 30 20 CHED COc1ccc(NN=Cc2ccc3cnccc3c2)cc1 782253549 IBFYZYLRGFPSQG-UHFFFAOYSA-N 277.327 3.689 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1ccc(O)c(F)c1 782328719 XPEXTARQRVOTLC-DJWKRKHSSA-N 293.297 3.976 30 20 CHED CC(C)[C@@H]1C[C@H](CC(=O)OCCCC(C)(C)C#N)CCO1 784650677 XHIMJTATLGVOQE-CABCVRRESA-N 295.423 3.701 30 20 CHED CC[C@@H](C)CCCCC(=O)OCC1(CC#N)CC1 784883041 LOSYSMHLUSDBIL-CYBMUJFWSA-N 251.370 3.830 30 20 CHED C#CCC1(C(=O)OCCCC(C)(C)C#N)CCCCC1 784896617 SOUQWHLEFSJCCJ-UHFFFAOYSA-N 275.392 3.833 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc(SC(C)C)cc1 788032911 YALAICZXSBOHRI-CQSZACIVSA-N 293.432 3.964 30 20 CHED C#CCC1(C(=O)O[C@H](C)c2ccncc2)CCCCC1 788212415 IBXHOZUJIKPTDR-CQSZACIVSA-N 271.360 3.660 30 20 CHED C#CCC1(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)CCCCC1 788222661 HPGWSTLJBUCQDA-MSOLQXFVSA-N 295.426 3.708 30 20 CHED CCc1cccc(Cl)c1C=NNCc1ccc(C#N)cc1 788720682 RDKLJYOAWBZFHG-UHFFFAOYSA-N 297.789 3.898 30 20 CHED CC(=NNCCc1ccncc1)C12CC3CC(CC(C3)C1)C2 789093676 KIDHDWZSQOWVNX-UHFFFAOYSA-N 297.446 3.806 30 20 CHED C#CCCN1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 789556882 VIQRXZDWTUORKV-QGZVFWFLSA-N 297.377 3.766 30 20 CHED Cc1ccc2cc(C=NNc3ncccc3C)ccc2n1 790192916 JZEBVAWKCSMMOB-UHFFFAOYSA-N 276.343 3.693 30 20 CHED CCCCCC[C@@H]1CCCC1=NNc1nccn1C 790300324 UENFPALJPQSMEA-CYBMUJFWSA-N 262.401 3.959 30 20 CHED C#CCN(C(=O)c1cccc2oc(C)nc12)C1CCCCC1 791550692 WLLYXLLUSBRNIE-UHFFFAOYSA-N 296.370 3.544 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C/c1ccco1 791862878 BRWJVCBQFWWYKB-ZHACJKMWSA-N 281.355 3.898 30 20 CHED C[C@@H](/N=C\c1cccc(O)c1O)c1ccccc1Cl 792570325 OTRKSFWZYBZDFE-LGQZLYSRSA-N 275.735 3.931 30 20 CHED C#Cc1ccc(C=NNc2ncccc2C(F)(F)F)cc1 792629355 KLSZIXSQDSCUFU-UHFFFAOYSA-N 289.260 3.528 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1C=CCCCCC1 793401409 MQHJUJMASRAXFJ-GFCCVEGCSA-N 259.305 3.505 30 20 CHED C=CCN(C(=O)Nc1ccc(-n2ccc(C)n2)cc1)C(C)C 794398631 NKRJGUFUGXRDCT-UHFFFAOYSA-N 298.390 3.609 30 20 CHED CSCCON=CCCCCOc1ccccc1 794571849 HGMLGIPIMHLVAD-UHFFFAOYSA-N 267.394 3.601 30 20 CHED O=C1/C(=C/c2cccc(F)c2)CCc2ccc(O)cc21 794960029 IWATXYVSRIBLLQ-MDWZMJQESA-N 268.287 3.744 30 20 CHED CCSc1cccc(C=NNc2ncccc2F)c1 794980437 KZAFUUQNOCGABW-UHFFFAOYSA-N 275.352 3.779 30 20 CHED CC[C@H](C)CC[C@@H](O)CC(=O)O[C@@H](C#N)C1CCCCC1 796348108 FPXYQVYKNSKNCU-IMJJTQAJSA-N 295.423 3.579 30 20 CHED C=CCOC(=O)c1cc(F)c(Br)c(Cl)c1 796837884 FHQFGYUEFQIBSL-UHFFFAOYSA-N 293.519 3.584 30 20 CHED CC[C@H]1CCCN(C(=O)c2ccc(C)c(C#N)c2)CC1 799338142 GVTURHRARJBOPU-AWEZNQCLSA-N 270.376 3.519 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCC(C(F)F)CC2)c1 799483179 UXYCQRRVZRSOKV-UHFFFAOYSA-N 298.724 3.830 30 20 CHED C=CCCCOC(=O)c1ccc(Oc2ccccc2)cn1 799551837 XADQVRUMQJCOIR-UHFFFAOYSA-N 283.327 3.997 30 20 CHED Cc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1C#N 799760683 MUTNJLNKQJHYIY-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CCCC[C@@H](C)C(=O)OCc1ccc(C#N)c(C)c1 800274468 NUDWGPJQVQJYRY-GFCCVEGCSA-N 259.349 3.736 30 20 CHED CCCC[C@@H](C)C(=O)OCc1cc(F)ccc1C#N 800275790 DOZWBYHGKVZQCP-LLVKDONJSA-N 263.312 3.567 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCC1CCCCC1 800328834 VIBQYNTXOVMIRK-KHPPLWFESA-N 269.344 3.695 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1cn(C)c(C)n1 800813920 MLPWWMCVYMOLLQ-UHFFFAOYSA-N 297.189 3.871 30 20 CHED CCC(C)(C)C1CCC(CC(=O)O[C@@H](C#N)COC)CC1 801475473 OAZWEEDBKQETFT-NRXISQOPSA-N 295.423 3.701 30 20 CHED Cc1cc(C)nc(NN=C(CCC(C)C)C2CC2)n1 802703366 BBKJWAMCGCXWEF-UHFFFAOYSA-N 260.385 3.708 30 20 CHED Cc1cccc(C)c1OCCCSCCO[C@@H](C)C#N 802752668 SHNARMSONKLJNA-HNNXBMFYSA-N 293.432 3.734 30 20 CHED C=C(Br)CN(C)[C@H](CC)c1ccccc1OC 805835842 UXXYYTWJCANXOV-CYBMUJFWSA-N 298.224 3.987 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2cc(OC)ccc2c1 806611384 CSHDJEJYKBHYNT-GFCCVEGCSA-N 284.359 3.935 30 20 CHED C#C[C@@H](NC(=O)c1oc2ccc(OC)cc2c1C)C(C)(C)C 807879226 RWUMVAPMBIAZAZ-OAHLLOKOSA-N 299.370 3.528 30 20 CHED C#CCCCCCC(=O)N[C@H](C#N)c1ccc(CC)cc1 809256657 AEECBMDFINHNRD-QGZVFWFLSA-N 282.387 3.514 30 20 CHED C=CCCN(Cc1cccnc1C)OCc1ccccc1 809985777 ROPVAHMGUAQWGE-UHFFFAOYSA-N 282.387 3.900 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](C)[C@@H](C)c1ccccc1 810469509 STESHSATAAGVGO-HZPDHXFCSA-N 291.394 3.519 30 20 CHED C[C@H](COc1ccccc1)NN=C/C=C/c1ccc(F)cc1 811667507 WURYYTIHDIHRCG-CWRLXXSNSA-N 298.361 3.882 30 20 CHED CC(=NOC/C=C/Cl)c1nc2ccccc2n1C(F)F 811668038 JXTYLNSUOYRKJO-VRSGUTFOSA-N 299.708 3.925 30 20 CHED COc1ccc([C@@H](C)C(C)=NOC/C=C\Cl)cc1OC 811668431 FZVNGTZIZBDJTQ-LPLXPHRISA-N 297.782 3.952 30 20 CHED Cl/C=C\CON=C1CCOc2ccc(Cl)cc21 811669823 VJBJQRXTYTVMSO-VPTHNOSGSA-N 272.131 3.596 30 20 CHED C=CC[C@@H](CC)Nc1nc(-c2cccc(OC)c2)no1 811842837 IKLQAGFFHDBLOI-GFCCVEGCSA-N 273.336 3.512 30 20 CHED C(=NOC1CCC1)c1cnc(-c2cccs2)s1 812236200 YDZXACVNTHAHGC-UHFFFAOYSA-N 264.375 3.775 30 20 CHED Cc1c[nH]nc1C=NN=C(c1ccccc1)c1ccccc1 814692139 YUOGJIKSCTXAGP-UHFFFAOYSA-N 288.354 3.590 30 20 CHED CCc1cnc(C=NNc2nccc3sccc23)s1 814808865 KDPIXYQEYAIFTB-UHFFFAOYSA-N 288.401 3.761 30 20 CHED FC(F)(F)c1ccc(CON=C[C@H]2CCCOC2)cc1 814882434 OUWFTLMMMQOMHD-GFCCVEGCSA-N 287.281 3.634 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CC2(Cl)Cl)n1 815707812 QSAYWTYLPDDDHT-ZETCQYMHSA-N 261.152 3.585 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Br)nc1C 819464740 VXSBYKSAUIYGAG-UHFFFAOYSA-N 297.196 3.693 30 20 CHED CC(C)Oc1ccc(C=NN[C@@H](C)c2ccncc2)cc1 819816130 XKKZDLBBXZWDMC-AWEZNQCLSA-N 283.375 3.554 30 20 CHED C[C@@H](NN=C1CS[C@H](C(C)(C)C)C1)c1ccncc1 819817721 DYOHUXCXPWTBHR-RISCZKNCSA-N 277.437 3.640 30 20 CHED C#C[C@H](NC(=O)N(CC1CCC1)C(C)C)c1ccccc1 820595997 UJRSYNJXCLKAMV-KRWDZBQOSA-N 284.403 3.581 30 20 CHED Cc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1O 822526039 PSOOSBLZISQSCU-CQSZACIVSA-N 280.371 3.765 30 20 CHED CC(C)(C)CN(CCC#N)CC[C@@H]1CC1(Cl)Cl 822635284 VAZWIZMPIWJFDU-LLVKDONJSA-N 277.239 3.832 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](CC#N)C1 824379397 LADDZPDBFWQTHR-AEFFLSMTSA-N 298.430 3.716 30 20 CHED CC(C)(C)Oc1ccc(N[C@@H]2CCSC2)cc1C#N 824722351 QOQAOSAYWKZRKE-CYBMUJFWSA-N 276.405 3.653 30 20 CHED CCCCCCCCC(=O)N1C[C@@H](C)OC[C@H]1CC 830030815 SBCKUDSDYDADGD-HUUCEWRRSA-N 269.429 3.763 30 20 CHED C=C(C)CCN[C@@H](C)c1cc(Br)ccc1O 834882688 SXQUGGLHYWLIFG-JTQLQIEISA-N 284.197 3.772 30 20 CHED CC[C@](C)(C=NNc1ncc(Cl)cc1Cl)OC 834926918 YGLAYBDTIHIGDW-LLVKDONJSA-N 276.167 3.601 30 20 CHED CC(C)(C)Sc1c(F)cc(NC(=O)CC#N)cc1F 836810089 QVGOTXMCLXBOKV-UHFFFAOYSA-N 284.331 3.708 30 20 CHED C=CCC1(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)CCC1 836912342 QPYIBAONWALXPH-LBPRGKRZSA-N 290.234 3.823 30 20 CHED C=CCC1(C(=O)O[C@@H](C)C(=O)c2ccco2)CCCC1 838284599 MWTNMCMXTCKLNI-LBPRGKRZSA-N 276.332 3.531 30 20 CHED C[C@@H](CCC#N)N1CCC(c2cccc(F)c2)CC1 839502098 BKRGJOWXMHLGRG-ZDUSSCGKSA-N 260.356 3.697 30 20 CHED CC[C@H]1C[C@H](C(=O)OCCC2(C#N)CCCCC2)CCO1 840422087 GZFLUXQQMJIGSZ-CABCVRRESA-N 293.407 3.599 30 20 CHED CC1=C(C)C[C@H](C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CC1 842817609 BMJNIDHIRJWGLD-RBSFLKMASA-N 261.365 3.748 30 20 CHED CC(C)(C)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842938535 MSJXYCAXRNKOJU-SNVBAGLBSA-N 262.378 3.633 30 20 CHED C#CCCCC(=O)N1CCC[C@@]1(C)Cc1ccccc1F 843668762 KDVORPOGLJEQNG-SFHVURJKSA-N 287.378 3.553 30 20 CHED CC[C@H](COC(=O)Cc1ccccc1CC#N)CC(F)F 845758357 MVMPXEHFYKPMEJ-LBPRGKRZSA-N 295.329 3.520 30 20 CHED CC(C)(CC#N)COC(=O)c1cc(Cl)nc(C2CC2)c1 847684161 QPCHQAAYFMSHAR-UHFFFAOYSA-N 292.766 3.709 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)Cc1csc(C)n1 851142540 SPTFTUSFJUDNCZ-OCCSQVGLSA-N 279.405 3.672 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@]1(C)CCC[C@H]1C 851206332 QQHUWWAKLHYRBT-JMSVASOKSA-N 251.370 3.684 30 20 CHED Cc1cc(F)ccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851207241 AWDWAQZFAHLNSK-NSHDSACASA-N 263.312 3.619 30 20 CHED C=CC(C)(C)CCOC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 851299889 CSBGTDUPMSASRB-CHWSQXEVSA-N 280.408 3.773 30 20 CHED COc1ccc(C=NN2CCCC[C@@H]2C)c(Cl)c1OC 853380585 RBWBVRIBNUHKQH-NSHDSACASA-N 296.798 3.566 30 20 CHED Cc1cccc(-c2cccnc2OCC2CC2)c1C#N 854171649 AGKWQPANLPWHHH-UHFFFAOYSA-N 264.328 3.718 30 20 CHED CC(C)n1c(NC(=O)C#CC(C)(C)C)nc2ccccc21 855858691 JPQIXDDHCWWPDT-UHFFFAOYSA-N 283.375 3.605 30 20 CHED Cn1c(-c2cccc(CC(C)(C)C#N)c2)cnc1Cl 863979045 QGFQVXVLZMULTR-UHFFFAOYSA-N 273.767 3.833 30 20 CHED CCN(CC[C@](C#N)(C(C)=O)c1ccccc1)C1CCCC1 877969203 XTKBBDORHLFQTI-IBGZPJMESA-N 298.430 3.692 30 20 CHED CCN(CCCCC(C)(C)C#N)[C@H](CO)c1ccccc1 880460966 BJLQXQKNQAAKQN-QGZVFWFLSA-N 288.435 3.762 30 20 CHED C=C1CCC(C(=O)NCc2ccc(OC(F)F)cc2)CC1 887745596 DDCRERIIBPWBBT-UHFFFAOYSA-N 295.329 3.651 30 20 CHED C=C1CCC(c2nc(CCC(F)(F)F)no2)CC1 896004970 VEVWKVZYHIVMPH-UHFFFAOYSA-N 260.259 3.778 30 20 CHED C=CC(C)(C)Cc1nc(C2(c3ccncc3)CCC2)no1 896759226 DIIFSUJIGYMGRJ-UHFFFAOYSA-N 283.375 3.689 30 20 CHED CN(C(=O)c1ccsc1C#N)[C@H]1CCCc2ccccc21 901509997 VXNDBUACRANWTF-HNNXBMFYSA-N 296.395 3.769 30 20 CHED C=CCC[C@@H](NC[C@H](CCC)c1ccccc1)C(=O)O 901690528 PKZZBAORBUKMFL-JKSUJKDBSA-N 275.392 3.579 30 20 CHED C=CCC[C@H](CC)N[C@H](C(=O)O)c1ccc(C)c(C)c1 901843030 CRDFYTNHMKOOQR-HOTGVXAUSA-N 275.392 3.764 30 20 CHED CC[C@H](NC[C@H]1CCCSC1)c1cccc(C#N)c1 902990195 SUPFTNRFCWXMRD-ZBFHGGJFSA-N 274.433 3.742 30 20 CHED C[C@@H]1CCCC[C@H]1/N=C/c1cc2ccccc2nc1O 912774557 JJALEPZUKULTQS-IXWQGDBBSA-N 268.360 3.938 30 20 CHED CCC(=NNc1ccc(C#N)cc1)c1ccc(OC)cc1 915963294 YJFODNGVPKOWID-UHFFFAOYSA-N 279.343 3.793 30 20 CHED CCC(=NNc1nc(C)cc(C)n1)c1ccc(Cl)cc1 916241999 UUJBPGRINCPYDA-UHFFFAOYSA-N 288.782 3.973 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(C)o1 916248265 WRUJPYIUOPPUNG-UHFFFAOYSA-N 250.248 3.702 30 20 CHED Clc1ccccc1C=NNc1ncnc2sccc12 916368343 MKZLHWPKDHFVEE-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CCC/C(C)=C\C(=O)[C@H](C#N)c1nc2ccccc2o1 920324152 LSCIHJNUIGDTPJ-MMRAYRKESA-N 268.316 3.750 30 20 CHED CC(CCc1cccc(F)c1)=NNc1ccc(Cl)nn1 920358868 MSAAYCLTUSKKIB-UHFFFAOYSA-N 292.745 3.690 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1ccc(F)c(F)c1 920387903 WFOBVTGFUFYJFA-LSCVHKIXSA-N 281.689 3.943 30 20 CHED CCO[C@H](CCN[C@@H](C)CC(C)(C)C#N)C1CCCC1 925207616 QSVRDAYLAIKOIX-GOEBONIOSA-N 280.456 3.890 30 20 CHED COc1ccnc([C@H](C)N[C@@H](CCC#N)c2ccccc2)c1 925602729 XGHXYNWBLSFFBM-YOEHRIQHSA-N 295.386 3.786 30 20 CHED Clc1ccc(C2CC(=NNCC3CCOCC3)C2)cc1 1116538365 KOXPORACUXTJCK-UHFFFAOYSA-N 292.810 3.590 30 20 CHED Cc1cccc(F)c1CNC1CC(C#N)(c2ccccc2)C1 1116704032 JEBHHHVGTFPESY-UHFFFAOYSA-N 294.373 3.848 30 20 CHED C=C(C)CCC(=O)N(Cc1ccccc1)CC(F)F 1120615215 LGUPOXLDYPFVEL-UHFFFAOYSA-N 267.319 3.637 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C)cc1 1153649671 CSNDXDBLELXCQU-YPMHNXCESA-N 298.308 3.655 30 20 CHED COC(=O)[C@@H](C)c1cccc(Nc2cccc(F)c2C#N)c1 1163489138 WTGAWEATJDAJSF-NSHDSACASA-N 298.317 3.717 30 20 CHED N#Cc1c2c(cn(CC3CCCCCC3)c1=O)CCCC2 1189433163 PPTDZUIKDNFVDV-UHFFFAOYSA-N 284.403 3.569 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)CO1 1205493093 QLKFXOFVMDNDLN-XJKSGUPXSA-N 294.354 3.940 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1F 1219050045 NAKBICDOPQPKNM-STQMWFEESA-N 289.354 3.645 30 20 CHED C[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)CC1 1232605163 VCJABZBWPQNZAI-GFCCVEGCSA-N 262.784 3.834 30 20 CHED CCC[C@H](NC(=O)c1csc(C#N)c1)C1CCCC1 1261336470 GQYKZTQUEPPOQM-AWEZNQCLSA-N 276.405 3.708 30 20 CHED C=C[C@H](CC)OC(=O)c1occc1NC(=O)OC(C)(C)C 1263384069 LOELMAZZOVGOIS-SNVBAGLBSA-N 295.335 3.748 30 20 CHED N#Cc1nc(Oc2cc(F)ccc2F)sc1Cl 1306962507 IGFAISLAMIRUQU-UHFFFAOYSA-N 272.663 3.739 30 20 CHED CCc1ccc(-c2nnc(-c3ccc(C#N)c(C)n3)o2)cc1 1322101776 YCJAALPZEFUNQA-UHFFFAOYSA-N 290.326 3.541 30 20 CHED CO[C@H](C(C)=NNCc1ccc(F)cc1)c1ccccc1 1324773963 ZZWFMCHAMUBHKS-QGZVFWFLSA-N 286.350 3.679 30 20 CHED C=CCCCCCCN[C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 1326287452 UARUBSRFDMDYFY-ZACQAIPSSA-N 290.455 3.734 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)c2cnn(C(C)C)c2)n1 1328076486 SEORGTQHNINJCR-ZDUSSCGKSA-N 283.379 3.521 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2ccc(Cl)cc2C1 1333497153 ZHASUXCMPOZFQG-LBPRGKRZSA-N 277.795 3.827 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 1348727936 WFAZVRBZJRXOBC-OAHLLOKOSA-N 283.375 3.501 30 20 CHED C=C(CC)C(=O)NCc1ccc(-c2csc(C)n2)s1 1350832256 ZDVIFNMNZNOTOD-UHFFFAOYSA-N 292.429 3.762 30 20 CHED C=C(C)[C@@H](NCc1cnc(CC)o1)c1ccc(F)c(F)c1 1351321372 XETRBXAPHSXTOD-MRXNPFEDSA-N 292.329 3.922 30 20 CHED N#Cc1cc(NC(=O)c2ccc(CF)cc2)ccc1Cl 1352798313 MYCFFJMAXNEIDY-UHFFFAOYSA-N 288.709 3.933 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1436285718 XPFMNCWVYDUNPC-AWEZNQCLSA-N 278.355 3.570 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1438134877 HLJSPKMNZYOWPK-CHWSQXEVSA-N 296.374 3.589 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1 1507855600 YXYGVXWZFRZCMO-RYUDHWBXSA-N 296.846 3.636 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(F)cc1 1526208720 IIMGWDSWHIYDTH-GFCCVEGCSA-N 282.318 3.531 30 20 CHED Cc1ccc2c(c1)CN([C@@H](C)c1ccc(C#N)cc1)CC2 1559979901 OGNIJXZSVDSCIM-HNNXBMFYSA-N 276.383 3.986 30 20 CHED C=CC[C@@H](Sc1cc(Cl)ccc1F)C(=O)O 1588759624 XWZJGIWYHULQCK-SECBINFHSA-N 260.717 3.601 30 20 CHED C=CCCC[C@@H](NC/C=C(/C)C(=O)O)c1ccccc1 1588797653 IKOBDAKWHHDIKS-OBEJXRGXSA-N 273.376 3.705 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cc(F)cc(C#N)c1 1596856099 MRSISENZTKSWEL-JTQLQIEISA-N 262.328 3.708 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cc(C(=O)O)cs1 1609556669 BJXIBIBKJZPDAO-UHFFFAOYSA-N 288.372 3.899 30 20 CHED Cc1cc2cc(NC(=O)c3ccccc3CC#N)ccc2[nH]1 1625504003 QXFHWTVCXDKQSH-UHFFFAOYSA-N 289.338 3.795 30 20 CHED N#Cc1cc(N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)ccn1 1639404218 ZAKYAKZLMHSFSN-QBYUYEEZSA-N 281.403 3.748 30 20 CHED CC[C@H]1CCCC[C@H]1CNc1ccc(C#N)c(C)n1 1639972770 CFXZHOCZQMGHRJ-ZFWWWQNUSA-N 257.381 3.890 30 20 CHED CC[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CC1(C)C 1651957518 OIDXVDGMJKFWPB-HTQZYQBOSA-N 269.801 3.905 30 20 CHED CCC1(CC)[C@@H](Nc2cc(C#N)ccc2OC)C[C@H]1OC 1652158376 DIYWGGKFFIPAGK-JKSUJKDBSA-N 288.391 3.572 30 20 CHED CC1(C)CCC(CN2CC(Oc3ccc(C#N)cc3)C2)CC1 1652625674 KGBNSTWZSIXHOW-UHFFFAOYSA-N 298.430 3.838 30 20 CHED COc1cc(COc2ccc(C#N)cc2)ccc1Cl 1656051689 USMQSTRJXQRAHP-UHFFFAOYSA-N 273.719 3.799 30 20 CHED Cc1ccnc2[nH]c(SCc3cccc(C#N)c3F)nc12 1656503441 BAHYPFRSQOTFSG-UHFFFAOYSA-N 298.346 3.569 30 20 CHED N#Cc1ncccc1SCc1ccc(F)cc1F 1656553895 VGFRUMCGMDNUGW-UHFFFAOYSA-N 262.284 3.524 30 20 CHED Cc1cc(C#N)cc(NCc2c(Cl)nc(Cl)n2C)c1 1657528649 NFPPXSKVXUKJGX-UHFFFAOYSA-N 295.173 3.519 30 20 CHED CC1(C)CCC[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1 1673773532 MNENREYGNUOXHG-ZDUSSCGKSA-N 289.354 3.788 30 20 CHED CN(CC1CCCCC1)C(=O)Nc1cc(F)cc(C#N)c1 1673773615 PVIWJZGWIWQVTB-UHFFFAOYSA-N 289.354 3.741 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)C12CCC(CC1)C2 1776065151 XTXISZYRMWSPEO-UHFFFAOYSA-N 290.338 3.892 30 20 CHED C#Cc1ccccc1C(C)=NNc1cccc(C(=O)O)c1C 1776087025 DNRUPHNIGXFEGA-UHFFFAOYSA-N 292.338 3.511 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCC2CCCCC2)C1 1776153102 KPXIJASFRVXDLC-KRWDZBQOSA-N 279.424 3.700 30 20 CHED C=CC[C@]1(C(=O)O)CCN(Cc2ccc(C)cc2Cl)C1 1776161702 VHHLOQCRZXYSLF-INIZCTEOSA-N 293.794 3.501 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(Cc2c(C)cccc2Cl)C1 1776162144 UGGTZOFKWKGWSX-MRXNPFEDSA-N 293.794 3.501 30 20 CHED Cc1cc(C)cc(NC=C2C(=O)CC(C)(C)CC2=O)c1 192814 XLFONMMJGFTWAO-UHFFFAOYSA-N 271.360 3.557 30 20 CHED C[C@@H](CC(F)(F)F)N[C@H](C)c1cccc(C#N)c1 224399264 SUMWSWMTGMJKIL-VHSXEESVSA-N 256.271 3.550 30 20 CHED C=CCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 8074815 RWTJQZJYFGTPFC-UHFFFAOYSA-N 293.366 3.619 30 20 CHED CCN(C(=O)[C@H]1C[C@@H]1C1CC1)[C@@H](C)c1ccc(C#N)cc1 176665477 FQXGFIXOMWWKII-VUCTXSBTSA-N 282.387 3.514 30 20 CHED COc1cc(C(=O)/C=C/c2ccc(C)c(C)c2)ccc1O 59269864 UVAYJKRMGDARLK-SOFGYWHQSA-N 282.339 3.914 30 20 CHED CCc1ccsc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 116810929 RIKCJBYCGOTYSK-ABAIWWIYSA-N 276.405 3.513 30 20 CHED COc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)c(OC)c1 176411142 WRAMNDWYPNHKPP-JYRVWZFOSA-N 298.313 3.665 30 20 CHED C#CCOc1ccc(NC(=O)[C@@H](C)c2ccccc2F)cc1 108973573 WVNFEFUTBRSAOY-ZDUSSCGKSA-N 297.329 3.580 30 20 CHED C#CCCCNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 174301305 CJXOIWCHKCFKSC-FUHWJXTLSA-N 298.430 3.625 30 20 CHED C=CCN(CC=C)Cc1ccccc1Br 58337447 ZTNOSKOGRFWKRC-UHFFFAOYSA-N 266.182 3.623 30 20 CHED CCCCCCCOC(=O)c1ccc(C(=O)N(C)C)cc1 102945358 HTMIWHHFNMUQBB-UHFFFAOYSA-N 291.391 3.516 30 20 CHED C[C@H](NCCCCC#N)c1ccc(F)cc1Cl 178643018 UYLBALXXKFFKDV-JTQLQIEISA-N 254.736 3.824 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)SCC1CCCCC1 58487676 ZVLLIRVEPNOPMB-CZUORRHYSA-N 296.480 3.743 30 20 CHED CC(C)c1nc(CCNCc2cc(C#N)cs2)cs1 177694577 UZWVYLPYRHBTFH-UHFFFAOYSA-N 291.445 3.532 30 20 CHED C=CCN(C(=O)c1cc(C(C)=O)cs1)c1ccccc1 106608198 QIBSZFQCDFOTHF-UHFFFAOYSA-N 285.368 3.784 30 20 CHED C=CCSCCNC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 175401172 AJYBKAWJRRGAIF-OLZOCXBDSA-N 284.469 3.514 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccsc1 116974392 XPFKPZKWKUIBOK-DGCLKSJQSA-N 264.394 3.559 30 20 CHED Cc1nc2ccccc2nc1COc1cccc(F)c1C#N 178996294 VMSGZSKVOMIFFZ-UHFFFAOYSA-N 293.301 3.528 30 20 CHED N#Cc1cccnc1N[C@@H]1CCCc2sccc21 61364326 PIZSGQBSAZVEFO-GFCCVEGCSA-N 255.346 3.504 30 20 CHED N#Cc1csc(CNCc2ccccc2OCC2CC2)c1 177704761 JMNWXVMQDBTJRX-UHFFFAOYSA-N 298.411 3.698 30 20 CHED N#Cc1ccc(NCCOC2CCCC2)cc1C(F)(F)F 111642107 BJDYWHSDRMBEAC-UHFFFAOYSA-N 298.308 3.948 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cc3c(F)cccc3s2)C1 1357612505 XSTOOVNQAJAIBY-VHSXEESVSA-N 289.331 3.889 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cnc3ccccn23)c1 119135398 QJFKIHPQRMKWMU-MDZDMXLPSA-N 292.338 3.629 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)CCc1cccc(F)c1 173030383 ISPCAPNPOSECGX-AWEZNQCLSA-N 275.367 3.595 30 20 CHED N#Cc1ccc(N[C@H]2CCOc3ccc(F)cc32)c(F)c1 68765407 YWTPRRAMWZPOFH-AWEZNQCLSA-N 286.281 3.772 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1ccc(C)s1 65527964 AUQGIBHTTNNDEB-GFCCVEGCSA-N 266.410 3.725 30 20 CHED N#Cc1cccc(C#N)c1NCCc1cc2ccccc2[nH]1 302881002 IRHCCPGJOICYHU-UHFFFAOYSA-N 286.338 3.566 30 20 CHED N#Cc1c(F)cccc1N1CCc2ccc(Cl)cc2C1 301848006 CGZSPMDRNZFSNX-UHFFFAOYSA-N 286.737 3.913 30 20 CHED N#Cc1nc(NCc2ccccc2Cl)ccc1Cl 301167723 WBMJTMFSGZKHID-UHFFFAOYSA-N 278.142 3.872 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1)c1cccc(O)c1 35317681 CJOVLNZNTALCJV-TWGQIWQCSA-N 258.704 3.942 30 20 CHED C=CCCC(=O)N(CC)C[C@H](CC)c1ccccc1 185136759 GMUVXAFWWJLRTE-HNNXBMFYSA-N 259.393 3.995 30 20 CHED CC(C)COc1ccccc1[C@@H](CC(C)C)NCC#N 181721336 WAZYAGLZBMNODI-MRXNPFEDSA-N 274.408 3.922 30 20 CHED CCCC(O)(CCC)CN[C@H](C)c1ccc(C#N)cc1 181779022 ZMDLYFYYLBMERY-CQSZACIVSA-N 274.408 3.540 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)c1ncccc1C#N 301361728 OGYBPGSZJASBFA-QGZVFWFLSA-N 279.387 3.719 30 20 CHED CC(C)N(Cc1cccnc1)Cc1cc(C#N)ccc1F 125629535 RALBFXCXGHRXBO-UHFFFAOYSA-N 283.350 3.503 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)CC1(C)CCC1 432925115 AUCUUJMMILWXRE-UHFFFAOYSA-N 256.393 3.959 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)cn1 210075334 CAHOFERLLJKTMH-YVMONPNESA-N 294.276 3.818 30 20 CHED CCN(Cc1ccc(C#N)cc1F)Cc1occc1C 507158060 YYHSAGKWSFOMRN-UHFFFAOYSA-N 272.323 3.621 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1 76085173 SYQOTOBUAIYSTL-CQSZACIVSA-N 293.370 3.944 30 20 CHED CCCOc1ccc(NC(=O)N(C)[C@H](C)CC#N)c(C)c1 120175405 TUJXELCTGZFNDF-CYBMUJFWSA-N 289.379 3.550 30 20 CHED CC[C@@]1(C)CCCN(c2c(C#N)nnc3ccccc23)C1 78559357 ZLMHAJQGNDIEOC-KRWDZBQOSA-N 280.375 3.518 30 20 CHED CCc1ccc(CNCc2ccc(C#N)c(C)c2)s1 443976429 FIWBFLBHLCFSEB-UHFFFAOYSA-N 270.401 3.780 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ncc(CCC)s1 180805726 JMIGNPCDMMBVLM-UHFFFAOYSA-N 267.398 3.526 30 20 CHED C=CCN(C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 121572831 ZRZHFDMZZRPKJM-UHFFFAOYSA-N 287.794 3.723 30 20 CHED COc1ccc(C)cc1CCN[C@H](C)c1cccc(C#N)c1 181419220 DJCXWQGCKHYFNM-OAHLLOKOSA-N 294.398 3.769 30 20 CHED Cc1cc(C)c(NC(=O)[C@@H](C)SCCC#N)c(Cl)c1 413009955 FAIYADGHUXQPDR-LLVKDONJSA-N 296.823 3.931 30 20 CHED CCn1c(SCCCCC#N)nnc1-c1cccs1 128182409 GJKMBHJMWFJPKR-UHFFFAOYSA-N 292.433 3.812 30 20 CHED C=CCCCC(=O)Nc1cc(-c2nc(CC)no2)ccc1C 79602765 JGZWXEYKEXCSNT-UHFFFAOYSA-N 299.374 3.902 30 20 CHED CCc1sc(C(=O)N(CC#N)c2ccccc2)cc1C 78382553 CSLGFQZDDQKFLW-UHFFFAOYSA-N 284.384 3.789 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@H]1CC[C@H](C)C1 411076291 ZEIODGPXJVLVKT-AAEUAGOBSA-N 284.359 3.526 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(F)cc1C#N 489580015 UESQISHCFAKIOV-LRDDRELGSA-N 260.356 3.708 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2c(Cl)cnn2C)cc1C 122631806 XHSJITMZLFASFV-AATRIKPKSA-N 288.778 3.895 30 20 CHED C[C@H](C(=O)Nc1ccc(CC#N)cc1)c1cccs1 78041082 WMBUUFJAQNDKHM-NSHDSACASA-N 270.357 3.556 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1ccccc1C#N 219383217 BOGCLNLKVGBYRV-CQSZACIVSA-N 280.371 3.726 30 20 CHED Cc1cccc([C@@H](C)Nc2ncc(C#N)cc2F)c1C 413140209 FTIVFVDXNWTFBB-GFCCVEGCSA-N 269.323 3.882 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(F)c(F)c1C 412966556 VMRYMPLZFWDUTF-UHFFFAOYSA-N 297.345 3.975 30 20 CHED Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccc(C#N)cc1 37509046 QSQDCGRAKUFYCV-LBPRGKRZSA-N 281.315 3.948 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccc(F)cc1Cl 78451350 NBWJLAZXFFYZIU-UHFFFAOYSA-N 295.745 3.637 30 20 CHED CC#CCCCC(=O)N[C@H]1CCSc2c(F)cccc21 185076564 LNXIOMMPDPXCTG-AWEZNQCLSA-N 291.391 3.672 30 20 CHED C[C@H](SCC[C@@H]1CCOC1)c1cccc(C#N)c1 419459183 CPVYIBFZFSDPQL-STQMWFEESA-N 261.390 3.779 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CCC)Cc1ccccc1 180965219 PKZWUMBISPYVKH-MRXNPFEDSA-N 274.408 3.615 30 20 CHED N#Cc1nc(N[C@@H](C2CCC2)C2CC2)ccc1Cl 413370024 VJKNIODEYJSTCR-AWEZNQCLSA-N 261.756 3.597 30 20 CHED COCc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 130454843 RJKABUZCGDMASY-LJQANCHMSA-N 294.398 3.968 30 20 CHED CCC[C@@H](C(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 41494155 AFOMDFJFGFRMEP-CVEARBPZSA-N 278.355 3.842 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](C)[C@H]1CC)c1ccccc1 185373666 GOXVMFWXJPUSAT-ZMSDIMECSA-N 271.404 3.993 30 20 CHED Cc1ccccc1C[C@H](C)N[C@H]1CCC[C@H](C#N)C1 185805766 HUXWFPWADLHSML-ZOBUZTSGSA-N 256.393 3.598 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)Cc1ccccc1 181411956 RJPQAKVQPOOOPA-OAHLLOKOSA-N 274.408 3.963 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 181133826 ZJAZBVBZSIGJMD-UWVGGRQHSA-N 280.334 3.617 30 20 CHED CC#CCCCC(=O)Nc1c(F)cc(Cl)cc1F 186120903 YXFJANXCEYMENI-UHFFFAOYSA-N 271.694 3.750 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CCO[C@H](C(C)C)C1 500974616 PIFRWOVHKDDJHU-YOEHRIQHSA-N 288.391 3.572 30 20 CHED C=CCN(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)C1CC1 412229306 MGXYZUOFEAAVBK-HNNXBMFYSA-N 285.387 3.508 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OC(C)(C)C)cc1 181749770 LQYAJRXMRYSCNK-UHFFFAOYSA-N 276.380 3.904 30 20 CHED CC(C)(C(=O)N1CCc2cc(C#N)ccc21)C1CCCC1 416019055 XUXOKKJJYARJAP-UHFFFAOYSA-N 282.387 3.664 30 20 CHED CC1(C)CCC(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)CC1 131925638 PTARUJVDDGXEMY-CYBMUJFWSA-N 295.386 3.956 30 20 CHED Cc1ccc(C2CC(NCC3(C#N)CCC3)C2)cc1 418143963 ROBRFAQEBLNAKG-UHFFFAOYSA-N 254.377 3.525 30 20 CHED C[C@@H]1C[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N 42981061 VKZKTRBESSJQFW-HIFRSBDPSA-N 290.366 3.611 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC2(CCC2)C1 413823838 BEKNOSOTQDWLFE-QGZVFWFLSA-N 298.430 3.759 30 20 CHED C[C@@H](Nc1ccnc2ccncc12)c1ccc(C#N)cc1 85656596 UHRNLJAXLPKTNT-GFCCVEGCSA-N 274.327 3.675 30 20 CHED CCC(C)(C)OCC(=O)Nc1ccc(Cl)cc1CC#N 410967027 LJEIBRQUTOLRHO-UHFFFAOYSA-N 294.782 3.550 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N1CCc2cc(C#N)ccc21 416015461 QOFZPWFCUJYESB-HOCLYGCPSA-N 282.387 3.664 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 410128133 QBDZYZFZYFFOCF-TZMCWYRMSA-N 295.810 3.887 30 20 CHED N#Cc1ccc(OCCc2ccc3c(c2)CCO3)c(Cl)c1 88102373 VVPIIJMZQBHFAR-UHFFFAOYSA-N 299.757 3.768 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC=CCC1 413289528 HFAMLSSLKSNHMF-IAGOWNOFSA-N 284.403 3.582 30 20 CHED O/C(CCc1cnc[nH]1)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329484878 SLSQBOCUXKVXEG-BFHYXJOUSA-N 275.396 3.658 30 20 CHED CCCOc1cccc(NC(=O)c2cc(C#N)cs2)c1 84077754 JNRXJQOHIZSNLK-UHFFFAOYSA-N 286.356 3.661 30 20 CHED C[C@H](C#N)CN(C)Cc1cccc(-c2ccccc2)c1 509815217 QXHBDPDGHVONEH-OAHLLOKOSA-N 264.372 3.945 30 20 CHED Cc1ccc(C#N)cc1NCc1ncc(Cl)s1 225520463 PGNFQGXWULORSR-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CCc1noc(CC)c1C/N=C/c1cc(Cl)ccc1O 86960984 VRXWBIVFFPYZRT-CAOOACKPSA-N 292.766 3.778 30 20 CHED C=C(C)CN(CC)C(=O)c1c(C)oc2ccc(OC)cc12 44958827 HRXGQODWCSUUJC-UHFFFAOYSA-N 287.359 3.788 30 20 CHED C#CCCCC(=O)N(CC(C)(C)C)CC(C)(C)C 190591467 ZUSTWYUKUGDAGL-UHFFFAOYSA-N 251.414 3.711 30 20 CHED CCCNc1ccccc1NC(=O)c1ccc(C#N)cc1 190156176 REBCRHNNTQGEFC-UHFFFAOYSA-N 279.343 3.632 30 20 CHED O/C(=N/CCc1cccc2[nH]ccc12)NC1CCCCC1 328699584 IFRYYRHRNFBTTA-UHFFFAOYSA-N 285.391 3.547 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C#N)s2)c1F 195503069 IXRQIKMWVMMSOP-FNORWQNLSA-N 287.315 3.664 30 20 CHED N#Cc1c(N2Cc3cccc(Cl)c3C2)ncc2c1CCC2 425268626 PHDGATJOEWBRMI-UHFFFAOYSA-N 295.773 3.616 30 20 CHED CCCCCN(C(=O)NCC(C)(C)CCC#N)C(C)C 513136400 WXSYJSYJLXUREA-UHFFFAOYSA-N 281.444 3.927 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cccc(-c3ncco3)c2)CCC1=O 329003096 HJQXRAVUNUKESD-NEPJUHHUSA-N 298.342 3.935 30 20 CHED C[C@H]1CCCC[C@@H]1Nc1snc(Cl)c1C#N 48544422 SVHROZKJLIXDMK-CBAPKCEASA-N 255.774 3.659 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)NC[C@@H](C)C#N)ccc21 84908772 SBMCQWWMOMLAOA-ZDUSSCGKSA-N 298.390 3.578 30 20 CHED Cc1noc(C)c1N(C)Cc1ccccc1C(C)(C)C#N 135266353 XKLHCURCCRUJRC-UHFFFAOYSA-N 283.375 3.729 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 424361383 LNVUZBNIBQUZPV-UHFFFAOYSA-N 287.319 3.807 30 20 CHED C=CCC1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CCC1 519840730 ABPWSPSNYMRNPR-UHFFFAOYSA-N 299.330 3.566 30 20 CHED C=CCC[C@@H](C(=O)NC[C@H]1CC1(C)C)c1ccccc1 426835584 RQIZGFMQXLKHGD-HZPDHXFCSA-N 271.404 3.899 30 20 CHED N#CCN(C(=O)C/C=C\c1ccccc1F)C1CCCC1 426343313 PEAPVYVQUYGOLR-ALCCZGGFSA-N 286.350 3.524 30 20 CHED Cn1ccc2ccc(NCCOc3cccc(C#N)c3)cc21 190625495 FIPYBLBFKRDPDB-UHFFFAOYSA-N 291.354 3.541 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1ccccc1Cl 336100355 TZZOUSSXOVINQR-UHFFFAOYSA-N 290.775 3.940 30 20 CHED N#Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 332780728 UZZXRFSHAJGCLK-FGTMMUONSA-N 296.414 3.781 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)Cc1c(F)cccc1C#N 512747147 BSMBGBWFMITXBP-GFCCVEGCSA-N 290.382 3.571 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccccc2OCC(F)F)C1 193096203 CZORDSQPMIOGQX-NEPJUHHUSA-N 280.318 3.825 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCCC1(C)C 425497926 XNRUURZAAUOSKH-CZUORRHYSA-N 299.418 3.839 30 20 CHED C=CCC1(C(=O)NCc2cc(C)nc(C)c2)CCCCC1 421583238 XBVHFXVROOPAPN-UHFFFAOYSA-N 286.419 3.841 30 20 CHED C[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(CC#N)cc1Cl 335584160 PYUSEOPJHCKGLC-PHIMTYICSA-N 291.782 3.811 30 20 CHED C=C(CNC(=O)N1CC2(CCCCC2)C1)c1ccccc1 512659153 DJCJUGIGLXCNCT-UHFFFAOYSA-N 284.403 3.676 30 20 CHED CC(C)c1ccc(CCCNCc2ccc(C#N)o2)cc1 236642758 MXUDVIPWJAEPHJ-UHFFFAOYSA-N 282.387 3.997 30 20 CHED C[C@H](CC1CCOCC1)N[C@H](CCC#N)c1ccccc1 90665104 NULWLJLMBJIYQG-CRAIPNDOSA-N 286.419 3.826 30 20 CHED CCn1nc(C)c(/C(O)=N/[C@H](C)c2cc(C)oc2C)c1C 330456687 OCRJISJBNQLACR-SNVBAGLBSA-N 289.379 3.795 30 20 CHED Cc1cccc(/C(O)=N/C[C@@H]2CCC3(CCCCC3)O2)n1 330057411 XKZWHUXQGXOZGG-AWEZNQCLSA-N 288.391 3.577 30 20 CHED N#Cc1ccc(Sc2ccc(C(F)(F)F)nn2)cc1 334449507 JVVUFUUMLSZKEZ-UHFFFAOYSA-N 281.262 3.518 30 20 CHED Cc1nnccc1N=C(O)N[C@@H]1CCCC[C@H]1C(C)(C)C 330156356 OPCLEKNOFBKNPU-TZMCWYRMSA-N 290.411 3.525 30 20 CHED C=CCCCCCN(C)Cc1cc(C#N)ccc1OC 438077903 SHOLILCGCQXHQJ-UHFFFAOYSA-N 272.392 3.745 30 20 CHED C[C@@H](c1ccc(OC(F)F)cc1)N(C)CC(C)(C)C#N 433289153 PAGJVMXXUONDGZ-NSHDSACASA-N 282.334 3.831 30 20 CHED Cc1cc(C)c(C#N)c(SCC[C@H]2CCCCN2C)n1 340595277 IJFPGHTWIZUDIS-CQSZACIVSA-N 289.448 3.537 30 20 CHED Cc1csc(NC(=O)c2cccc3cnccc23)c1C#N 344921415 FXFQDVQSMDYNMG-UHFFFAOYSA-N 293.351 3.729 30 20 CHED Cc1ccnc(NCCc2cc3ccccc3o2)c1C#N 343436950 MAVLMVCXUIOIRI-UHFFFAOYSA-N 277.327 3.663 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cccc(Cl)c1Cl 538198744 STCWYUMHVWJKQT-WDEREUQCSA-N 288.218 3.829 30 20 CHED CC(C)(NCc1cc(C#N)cs1)c1cccs1 344308794 PFLGIVAOCAQNFU-UHFFFAOYSA-N 262.403 3.706 30 20 CHED CC(C)n1cc([C@H](C)Nc2ncc(C#N)cc2Cl)cn1 609585901 BWQVSHYYTJZKKC-JTQLQIEISA-N 289.770 3.557 30 20 CHED CCc1ccc([C@H]2CCN(c3cccc(C#N)n3)C2)cc1 431498697 XXLVNHZALSFFPH-INIZCTEOSA-N 277.371 3.510 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435356974 JPFAJUWTJPHXFN-YOEHRIQHSA-N 286.375 3.720 30 20 CHED C[C@]1(C#N)CCCN(c2nc3ccc(F)cc3s2)C1 603334645 LZIYWLQAHYGTQJ-CQSZACIVSA-N 275.352 3.565 30 20 CHED C=CC[C@H]1N(C(=O)NCc2ccco2)CCCC1(C)C 435679818 ALFYYVVQPHMBQZ-CQSZACIVSA-N 276.380 3.556 30 20 CHED N#C[C@H](C(=O)/C=C\c1cccs1)c1nc2ccccc2o1 255086479 ILDYJBDNNWGLKF-QDZRJHCZSA-N 294.335 3.779 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2C)o1 255270500 WQUXTXNNWCRTKO-YVMONPNESA-N 284.311 3.579 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 431941717 MRRBRRSJJHMAMC-WMLDXEAASA-N 286.419 3.713 30 20 CHED COc1ccc(CCNc2ccc(Cl)cc2C#N)cc1 52856766 JTEGWZGZHMBYMW-UHFFFAOYSA-N 286.762 3.875 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H](C)c2ccccc21 348195727 XYCJCWNMRLWUGG-HNNXBMFYSA-N 287.403 3.900 30 20 CHED CCc1nc(CSCCC(C)(C)C#N)cs1 341961938 PUICWBIBRUSREF-UHFFFAOYSA-N 254.424 3.879 30 20 CHED CC(C)(C)c1noc(C[C@@H](CC#N)c2ccccc2)n1 346926984 CKUYXJJGJWRITM-CYBMUJFWSA-N 269.348 3.607 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc2nccn12 342642347 WKCIWQMYIMCHCZ-UHFFFAOYSA-N 291.398 3.565 30 20 CHED C=CCCCSCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 609804966 FVRFBIWAKDGIIW-HZSPNIEDSA-N 269.454 3.627 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(F)c(Cl)c2)cn1 255070336 YYASYFXXKJFVCL-XQRVVYSFSA-N 278.714 3.592 30 20 CHED CN(C)c1ccc(C(F)(F)F)cc1N[C@@H]1CC[C@@H](C#N)C1 442871273 FFBQFVRDZVJKIQ-ZYHUDNBSSA-N 297.324 3.876 30 20 CHED C=C(C)CNCc1cnc(CCc2ccccc2)s1 449267982 CRFWPSHMOYFKMZ-UHFFFAOYSA-N 272.417 3.594 30 20 CHED CCC[C@H](C)C(=O)N(CCC#N)CC(CC)CC 356572763 AWSNAOGLHALDMG-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED Cc1ccc(C)c(-c2cccc(C[C@@H](C#N)CO)c2)c1 600845629 QQSKBJWWWFMQDY-INIZCTEOSA-N 265.356 3.645 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1ccc(C)c(C)c1 538337717 QXNKSLDNDUHELV-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@H]1NCC1CCC(C#N)CC1 442877415 UHNMOYQZFHTANK-XILSRCRHSA-N 286.394 3.979 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)CC(CC)CC)OCC 534414790 KCGLEJUEKBGYPH-OAHLLOKOSA-N 269.429 3.642 30 20 CHED Cc1noc([C@@H](C)S[C@H](C)c2ccc(C#N)cc2)n1 609824890 CKZQDSLQMVMRSR-NXEZZACHSA-N 273.361 3.805 30 20 CHED C=CCCCc1nc(Cc2ccc(C(F)(F)F)cn2)no1 355810496 QGEDIMRDLCCJMD-UHFFFAOYSA-N 297.280 3.583 30 20 CHED C=CCCOCCCCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 539366824 SYGKGBUJTOLOAL-QAETUUGQSA-N 293.451 3.690 30 20 CHED CCCC(CCC)Sc1ncc([N+](=O)[O-])cc1C#N 609383688 HNCDONXTDFRBIP-UHFFFAOYSA-N 279.365 3.922 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)c(C)s1 609638188 NQLYCMNQVAXFJC-MRXNPFEDSA-N 290.432 3.957 30 20 CHED Cc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 353963857 YKONFSFUFNIDLN-QZTJIDSGSA-N 280.371 3.860 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 449952939 XIEWXTLUYZVRCA-GOEBONIOSA-N 271.404 3.851 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(C[S@](C)=O)cc1 353815338 DGERTOHUEBUCIO-PXNSSMCTSA-N 293.476 3.790 30 20 CHED C=CCC[C@@H](CCC)NCc1cccc(N2CCC2=O)c1 442818199 ZMZUTRRNCAGMQE-MRXNPFEDSA-N 286.419 3.648 30 20 CHED CC[C@@H](NCc1ccccc1F)c1ccc(C#N)cc1 447508399 CACCSDSAGRGUII-QGZVFWFLSA-N 268.335 3.938 30 20 CHED CC(C)Oc1cccc(CN2CCC[C@@](C)(C#N)C2)c1 612161788 ACEKHOKBCLOCCY-KRWDZBQOSA-N 272.392 3.599 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618787810 OAZLDMJBIPJJAC-PXAZEXFGSA-N 284.403 3.734 30 20 CHED Cc1nc(C)c(C#N)c(SCCCc2ccccc2)n1 354939231 JFPUIRJQZDPKGW-UHFFFAOYSA-N 283.400 3.690 30 20 CHED C=CCCC1(C(=O)Nc2nccc3sccc23)CC1 356706521 FEBWUXMNCFDCKD-UHFFFAOYSA-N 272.373 3.981 30 20 CHED C[C@@H](N(C)C(=O)C[C@H](CC#N)c1ccccc1)C1(C)CC1 356368123 NGILPFZCIVEKSD-ZBFHGGJFSA-N 284.403 3.721 30 20 CHED C=C[C@H](C)NC(=O)Nc1c(F)cccc1SCC 353937944 PQODERWEQHRLSF-VIFPVBQESA-N 268.357 3.634 30 20 CHED CC1(C)CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 353260905 UIYIJFVDVKIVBN-HOCLYGCPSA-N 254.377 3.714 30 20 CHED CC[C@H](C#N)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 614800080 WOVVGXCPZURMLB-MRVPVSSYSA-N 285.294 3.976 30 20 CHED CC(C)Oc1cc(F)ccc1N[C@@H]1CC[C@H](C#N)C1 442829787 QILDGRADHQIVBH-WCQYABFASA-N 262.328 3.717 30 20 CHED C=C(CC)CNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 539095698 JOUWTVAKUIAJGM-HOTGVXAUSA-N 288.435 3.674 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 614134141 TZCJAXFBCOGHFB-OKZBNKHCSA-N 283.415 3.974 30 20 CHED C=CCCCC[C@H](C)NC[C@@H]1CCCN(C(C)C)C1 449130233 GBMHKXKPDSUAAJ-IRXDYDNUSA-N 266.473 3.831 30 20 CHED C=C[C@H](C)NC(=O)c1cscc1-c1ccccc1 355035276 IBQRHXVDJPYSLH-NSHDSACASA-N 257.358 3.719 30 20 CHED COCC[C@H]1CCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 619754551 CVXRAXNRMKNNKI-CJNGLKHVSA-N 292.810 3.506 30 20 CHED CC1(C(=O)NCc2ccc(C#N)c(F)c2)CCCCCC1 456826908 CMUSWNFAKXISPV-UHFFFAOYSA-N 288.366 3.674 30 20 CHED N#CCCCCSCc1ccn(C2CCCC2)n1 268755695 XHQVKSBMEGCFJR-UHFFFAOYSA-N 263.410 3.925 30 20 CHED C=CCOc1ccc(CC(=O)N[C@H]2CC23CCCCC3)cc1 450371691 JNDGUYRXHLQKPH-KRWDZBQOSA-N 299.414 3.633 30 20 CHED CN(CC#Cc1ccc(F)cc1)CCCc1ccccc1 534602400 VZTIWRLRFUNKSH-UHFFFAOYSA-N 281.374 3.742 30 20 CHED C[C@H](NC(=O)c1cccc(CC#N)c1)[C@H]1CCC[C@@H](C)C1 457003324 NMOKSPJNTYEFSU-YCPHGPKFSA-N 284.403 3.697 30 20 CHED CCC1(NC(=O)c2ccc(C(C)(C)C#N)cc2)CCC1 279738032 DFRDYYBJJWHMDF-UHFFFAOYSA-N 270.376 3.550 30 20 CHED C[C@@H](NC(=O)N1CC[C@@H](C)C(C)(C)C1)c1ccc(C#N)cc1 546109962 VOPZOMVMJVHENT-ZIAGYGMSSA-N 299.418 3.697 30 20 CHED CCC[C@H](NCc1ccc(C#N)c(F)c1)c1cccnc1 453397122 ZCUCHAKOYRKHER-KRWDZBQOSA-N 283.350 3.723 30 20 CHED C[C@@H](C#N)CN(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 271353170 WLLNZYNQONAZMU-OLZOCXBDSA-N 292.810 3.527 30 20 CHED C=CCCS[C@H](C)C(=O)N1CCCc2ccccc21 610092783 ZZAYKRQWQBTGNL-CYBMUJFWSA-N 275.417 3.664 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)Sc1ccc(C)cc1 452722192 JKACTJJLPITNGK-CYBMUJFWSA-N 263.406 3.558 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(OC(F)(F)F)c1 454367609 HLEYONBWMVRJKP-UHFFFAOYSA-N 288.269 3.673 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)CSc1ccc(C)cc1 450699249 KLNAJHIIZQHAOH-ZDUSSCGKSA-N 277.433 3.804 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](OCC)[C@@H](C)C2)CCCCC1 452861174 LUDOCSAWZTVWHU-JKSUJKDBSA-N 293.451 3.787 30 20 CHED Cc1ccc(F)c(CCN[C@@H](C)c2ccc(C#N)cc2)c1 453362499 RICDDXRXUFJDNQ-AWEZNQCLSA-N 282.362 3.899 30 20 CHED C=C(C)CCN[C@H]1CCSc2ccc(F)cc21 453314787 ISCPBLYDDXZRIB-ZDUSSCGKSA-N 251.370 3.918 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC(CC#N)CC1 542854059 NPINNVAARZEYGT-DZGCQCFKSA-N 291.439 3.536 30 20 CHED Cc1cccc([C@H]2CCCCCN2C(=O)NCCCC#N)c1 544328588 OLTUXVOWKNSGJE-QGZVFWFLSA-N 299.418 3.926 30 20 CHED N#Cc1cc2c(nc1S[C@@H]1CC[C@@H](C#N)C1)CCCC2 278511762 FHDLPTYOSNRRDG-BXUZGUMPSA-N 283.400 3.616 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OC(F)F)c(OC)c1 620265998 RWYKEHJEQXWXBZ-UHFFFAOYSA-N 299.317 3.837 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCOC2CCCC2)c1 273174239 FRKUKLXFTUVVPL-UHFFFAOYSA-N 286.375 3.522 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1C[C@H]1C(C)C)c1ccccc1 456296511 JRNVFKOJKSMSCG-XIRDDKMYSA-N 271.404 3.755 30 20 CHED C=CCn1c(C)nnc1SCCCCC(C)(C)C#N 277512739 FVMIZQOORGOIOC-UHFFFAOYSA-N 278.425 3.585 30 20 CHED CN(Cc1ccc(OC(F)(F)F)cc1)[C@H]1CC[C@H](C#N)C1 278701807 SZUMINKAPCOPNS-STQMWFEESA-N 298.308 3.709 30 20 CHED CCN(c1ccc(NC(=O)CC(C)(C)C#N)cc1)C(C)C 278175670 DSNOOEJVFQANSM-UHFFFAOYSA-N 287.407 3.800 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CCCC)C1CC1 540568335 HBXKWWXNYRYLFJ-CYBMUJFWSA-N 252.402 3.705 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(SC)ccc1C 278760706 NNQAWSRECYNEFI-UKRRQHHQSA-N 291.416 3.637 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)C[C@@H](C)C#N)CC2 275336453 GSUHPPXEZXZRKV-GUYCJALGSA-N 299.418 3.598 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 465121655 SOUFLLVGESOJHY-KBPBESRZSA-N 275.392 3.576 30 20 CHED CN(C)C1(CNc2c(Cl)cccc2C#N)CCCCC1 462922408 CMBAIIZYGKRLBT-UHFFFAOYSA-N 291.826 3.888 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC(C2CCCC2)CC1 370460127 LTTYHLIGKIAJBE-UHFFFAOYSA-N 286.375 3.502 30 20 CHED C=C[C@H](C)NC(=O)NCCCc1ccc(C(C)C)cc1 464758571 YYBHCXGDEFOQEH-AWEZNQCLSA-N 274.408 3.616 30 20 CHED CCCN(C(=O)[C@@H](C)c1cccc(C#N)c1)C(C)(C)C 464277375 RAHOQCWVQACQPA-ZDUSSCGKSA-N 272.392 3.699 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N2Cc3cccc(Cl)c3C2)c1 377195362 UIVVBCMDVSWCJM-UHFFFAOYSA-N 299.717 3.640 30 20 CHED Cc1oc(C#N)cc1-c1nc(C2CCCCC2)no1 280621565 RTECFAUTFXAUND-UHFFFAOYSA-N 257.293 3.557 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 466550902 LNUJWYSDSBEKPF-UHFFFAOYSA-N 288.391 3.955 30 20 CHED C[C@@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)C(C)(C)C 464165559 FGEVISWDDXIEPL-XHDPSFHLSA-N 252.402 3.503 30 20 CHED N#Cc1ccnc(N2CCC(c3ccccc3)CC2)c1Cl 552933476 RFBTZHQBPNPPLP-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C[C@@H](CCOCc1ccccc1)/N=C/c1cccc(O)c1O 287372727 ZIEGBMBEWAOWQB-BXUJETTOSA-N 299.370 3.512 30 20 CHED C=CC[C@H](C(=O)N(C)[C@@H](C)C1CC1)c1ccccc1 630640785 RPHYOGOWRQERMR-BBRMVZONSA-N 257.377 3.603 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1cc(C)c(OC)cc1C 286693906 HAIFKUABEGUYOA-CXAGYDPISA-N 289.375 3.856 30 20 CHED CCOc1cc(NC(=O)c2ccc(C#N)s2)ccc1C 551773423 BAUJDIGHHWKDOV-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@H](C2CC2)C1)c1ccccc1 288459219 VUEJBHFWDMSWOD-ZWKOTPCHSA-N 296.414 3.583 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cccc(CO)c2)cc1 287583114 RDBIXCNCAGXGNX-HNNXBMFYSA-N 297.398 3.595 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(c2ccc(C#N)cn2)C1 286631863 VGIRCQGURVEQSX-CJNGLKHVSA-N 263.344 3.541 30 20 CHED CC(C)c1nn(C)c(Cl)c1CNCC(C)(C)CCC#N 808429667 NERFYNJAUDQQBS-UHFFFAOYSA-N 296.846 3.616 30 20 CHED CC1=CC(=NNc2nccnc2C2CCC2)CCC1 807991320 LKEAKEJRSONURX-UHFFFAOYSA-N 256.353 3.642 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@H](C)c1ccccc1 559392579 CSYHSOGHKUESBA-AWEZNQCLSA-N 259.393 3.899 30 20 CHED Cc1ncc([C@@H](C)NCC#Cc2ccc(Cl)cc2)s1 639995731 PPVGXKSREIXKHY-LLVKDONJSA-N 290.819 3.807 30 20 CHED CC(C)(C#N)CCCOC(=O)c1sccc1Cl 803768123 ZRVGJJPXTWDMJM-UHFFFAOYSA-N 271.769 3.888 30 20 CHED C=CCC(CC=C)C(=O)N1CCCC2(CCCC2)C1 474629496 NSVXXGIDRSFEBV-UHFFFAOYSA-N 261.409 3.938 30 20 CHED C#CCOc1cc(F)ccc1NCCCc1cnccc1C 809597128 IILQUFYPDSEHGU-UHFFFAOYSA-N 298.361 3.586 30 20 CHED C#Cc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 809541607 VBTPPFVMZMVBNB-UHFFFAOYSA-N 289.378 3.663 30 20 CHED C#CCCCCCC(=O)NCc1c(F)cccc1SC 803382664 UKIAHUVDARSJRI-UHFFFAOYSA-N 293.407 3.748 30 20 CHED C=CCCCCCCN[C@H](C)CC1CCOCC1 806168235 XVVYZJZQPSZLHE-OAHLLOKOSA-N 253.430 3.918 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2cccc(Cl)n2)c1 808465570 XPRNRNBBJDTBFV-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=C1CCN(C(=O)Cc2c[nH]c3cccc(Cl)c23)CC1 292975723 COVZOVMHXJHFCX-UHFFFAOYSA-N 288.778 3.542 30 20 CHED CC(CC1CCC1)=NNc1nccnc1C1CCC1 807994040 KVMZQNGEOSCRIM-UHFFFAOYSA-N 258.369 3.722 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H](C)C(C)(C)C)o1 800811080 GTLKBGHQTPSWPV-JTQLQIEISA-N 262.357 3.750 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@@H]1Nc1cc(C#N)ncn1 566775141 YOKWAKHJJSIMML-MAUKXSAKSA-N 292.386 3.720 30 20 CHED C=CC(C)(C)C(=O)N1CCC(C)(c2ccccc2)CC1 295550587 UTLDCJOTPOYEOW-UHFFFAOYSA-N 271.404 3.779 30 20 CHED C=CCOc1ccc(C(=O)N(CCC)C(C)C)cc1OC 565843950 RQKREBXSXFHCKI-UHFFFAOYSA-N 291.391 3.521 30 20 CHED C=CCC1(CNC(=O)Nc2ccc3c(c2)CNC3)CCCC1 565822370 SQNSPFSPIZCMLM-UHFFFAOYSA-N 299.418 3.548 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1cccc(OC(F)F)c1 299697100 OMAWZGUQHIVUQO-MNOVXSKESA-N 268.307 3.631 30 20 CHED C#C[C@@H](NC(=O)CCCc1ccc(C)s1)C(C)(C)C 807878392 NZWJIKMFQHRDKG-CQSZACIVSA-N 277.433 3.543 30 20 CHED C#Cc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1 809636866 HKZRPFGHPXTYPA-WFASDCNBSA-N 281.321 3.831 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H]1CCc2ccccc21 644961562 IOEFWZGXBKOELM-HNNXBMFYSA-N 271.404 3.825 30 20 CHED Cc1c([C@@H](C)NC(=O)CC(C)(C)C#N)oc2ccccc12 483730543 ISBHFRCTEYCTLD-GFCCVEGCSA-N 284.359 3.858 30 20 CHED CCC(=NNc1ccccc1C(=O)O)c1cccs1 812445350 VHTFYRSLZSJELM-UHFFFAOYSA-N 274.345 3.673 30 20 CHED C=CCC(F)(F)C(=O)N(CC)Cc1ccc(C)cc1 814941104 BTLNIAPDLGWASH-UHFFFAOYSA-N 267.319 3.555 30 20 CHED Cc1c(Cl)cnc(N2CCCC(C)(C)C2)c1C#N 561768945 ADVPNCXRUZQTOT-UHFFFAOYSA-N 263.772 3.542 30 20 CHED C=CCCCCCCCN[C@@H]1CCN(CC)C[C@H]1C 810243957 WBTZBKRNBJEIMC-IAGOWNOFSA-N 266.473 3.833 30 20 CHED CC(C)[C@H]1CC(=NNc2ccc(F)cc2)CS1 814693189 ANOLHWYGGLIHLR-CYBMUJFWSA-N 252.358 3.755 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc(F)nc2)cs1 812243645 QOXGDZWTWAOELB-HYXAFXHYSA-N 276.336 3.697 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(C#N)s1 489318859 AWXRMKCZLMITPR-LBPRGKRZSA-N 276.405 3.661 30 20 CHED CCSc1ccc(C(C)=NNC[C@@H]2CCSC2)cc1 811657121 FWXAOGZADIGIJU-ZDUSSCGKSA-N 294.489 3.865 30 20 CHED CCC[C@@H](C(=O)NC1(c2cccc(C#N)c2)CC1)C(C)C 486421980 KPXQCGXBHXDUIW-MRXNPFEDSA-N 284.403 3.736 30 20 CHED CCCC(=NNc1ncccc1Cl)c1cccnc1 814810895 YTLQWLUCBQSZQV-UHFFFAOYSA-N 274.755 3.746 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1ccnc(C#N)c1 577978958 UWNMNDQOGBGLOG-OLZOCXBDSA-N 257.381 3.604 30 20 CHED C=C[C@@H](CC(=O)N1CCC(C)=C(C)C1)c1ccccc1 482866425 FLDFGRVHVMYQRA-INIZCTEOSA-N 269.388 3.915 30 20 CHED N#CCC1(OC(=O)Cc2csc3ccccc23)CCC1 810857481 SKXIGBNNSFNBGH-UHFFFAOYSA-N 285.368 3.823 30 20 CHED C#CCNC(=O)Nc1ccc(CCCc2ccccc2)cc1 726701563 RIROQMIAXUEMMO-UHFFFAOYSA-N 292.382 3.617 30 20 CHED C=CCCCCCCCNC(=O)c1csnc1C 811590796 LLMOEGTWVJXYSB-UHFFFAOYSA-N 266.410 3.708 30 20 CHED CC[C@H](CC(=O)OCc1cccc(C#N)c1)C(C)C 729761034 JOALZLPHNUCPMU-OAHLLOKOSA-N 259.349 3.674 30 20 CHED C[C@@H](Cc1ccsc1)NC1CCC(C)(C#N)CC1 578714006 ABRBTFVHKQZMKE-GRTSSRMGSA-N 262.422 3.741 30 20 CHED C=CCNC(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 574564044 VYXWLAGOHREBGG-CYBMUJFWSA-N 299.201 3.930 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccc(Cl)o1 499312471 XDBWMUNLNRHGPU-UHFFFAOYSA-N 289.762 3.804 30 20 CHED CC[C@@H](NCc1cncc(C)c1)c1ccc(C#N)cc1 575311227 OQVAXXIEIIVCFN-QGZVFWFLSA-N 265.360 3.503 30 20 CHED C#CCCOC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 727042090 OXHZPUIHSVEYEG-NSHDSACASA-N 284.277 3.766 30 20 CHED C[C@H](C#N)Oc1ccc(CNC2[C@H](C)CCC[C@H]2C)cc1 728711989 QPCNFUIMXULTMM-RBSFLKMASA-N 286.419 3.892 30 20 CHED CCCC(CCC)=NNc1cnc2ccccc2n1 727258523 OFHCCWDMWJZMHS-UHFFFAOYSA-N 256.353 3.998 30 20 CHED C=C(C)CN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 660710566 VDFSQMQCSJMBMN-JTQLQIEISA-N 263.772 3.785 30 20 CHED C#C[C@H](C)N(C)C(=S)Nc1ccc(Cl)cc1Cl 491555277 PZZHPGSFORTUNB-QMMMGPOBSA-N 287.215 3.644 30 20 CHED C=CCCNC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 665941269 WDAKOGKBLSOMSF-HZPDHXFCSA-N 272.392 3.540 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(OC)ccc1OC 665159509 PAMFGNOGYXKAMR-UHFFFAOYSA-N 292.379 3.570 30 20 CHED C[C@@](C#N)(NC(=O)c1ccc(Cl)s1)C1CCCCC1 583772330 DMHQIEFVOGDQPN-AWEZNQCLSA-N 296.823 3.994 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(N(CC)CC)cc1 822337186 QWHWLLMCDFLFRM-UHFFFAOYSA-N 260.381 3.684 30 20 CHED CC(C)CN(C(=O)Cc1cccs1)c1ccc(C#N)cc1 499307745 GZEQXINTQYPICA-UHFFFAOYSA-N 298.411 3.851 30 20 CHED OCc1ccc(C=NNc2ccc(Cl)cc2Cl)o1 739401075 UDWPDFKQWSTDQT-UHFFFAOYSA-N 285.130 3.525 30 20 CHED C#C[C@@H](NC(=O)N(CC)CCC)c1ccc(Cl)cc1F 820737482 DTSRAWBEYOJMJD-CQSZACIVSA-N 296.773 3.595 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 909109032 WMDNFIIKQXFYAM-UHFFFAOYSA-N 281.739 3.579 30 20 CHED CS[C@H]1CCCC(=NNc2ccnc(Cl)c2)C1 901263145 SXRCWTFJJGTAKL-NSHDSACASA-N 269.801 3.809 30 20 CHED CN(CC#N)C(=O)CC1(CCc2ccccc2)CCCC1 498183101 QYXSSMADPNDBSZ-UHFFFAOYSA-N 284.403 3.552 30 20 CHED CC(C)=CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730416785 HKTVJTVXSSRJNI-SNVBAGLBSA-N 274.320 3.578 30 20 CHED N#CC1(CCCCSCCOC[C@H]2CCCO2)CCC1 901769845 PPDAKBLCIASYMP-OAHLLOKOSA-N 297.464 3.779 30 20 CHED CSCC[C@](C)(C#N)NC(=O)[C@H](C)CC1CCCCC1 584374390 DPADITOMDPPNFF-CZUORRHYSA-N 296.480 3.744 30 20 CHED Clc1nccnc1NN=C1CC[C@H]2CCCC[C@H]2C1 733079540 MHAAUTZYKYONLA-MNOVXSKESA-N 278.787 3.888 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@H](C)C(C)(C)C)cc1 734511119 YKOUPZUIFGKBDE-KBPBESRZSA-N 274.408 3.749 30 20 CHED C=CCCCCCN(C)C(=O)COC1CCCCC1 739653270 ANLPBPOMERVGGY-UHFFFAOYSA-N 267.413 3.541 30 20 CHED C=CCCCOC(=O)c1cn(CC)c2ccccc12 735528448 RNGZRLMZICCVQV-UHFFFAOYSA-N 257.333 3.784 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(Cl)ccc2c1CCO2 904992398 CPZWEGCKGLIJCO-SNVBAGLBSA-N 279.767 3.816 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 901125191 UAFCBQLVQKFQCK-AWEZNQCLSA-N 287.403 3.576 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](CC(C)(C)C)C1 837166025 JFIGOSIOXMWYQD-OAHLLOKOSA-N 263.425 3.855 30 20 CHED COC(=O)c1ccc(NN=C(C)CC2CCC2)cc1F 835018389 MXXOMANSPHZSLM-UHFFFAOYSA-N 278.327 3.590 30 20 CHED COc1ccccc1C=NOCc1c(C)cccc1C 738289373 NXVUDKLOUTWARB-UHFFFAOYSA-N 269.344 3.863 30 20 CHED Cc1sccc1C(=O)OCC1(C#N)CCCCC1 835281650 DEYVURQTMCYJFG-UHFFFAOYSA-N 263.362 3.687 30 20 CHED CCCc1cccc(/C=C\C(=O)c2cnn(C)c2C)c1 588509175 WXXQGXAOAUFLBO-KTKRTIGZSA-N 268.360 3.577 30 20 CHED N#CC1(CCCCn2cc(-c3ccccc3F)nn2)CCC1 900618634 ZILBCLGFGCMLHR-UHFFFAOYSA-N 298.365 3.948 30 20 CHED CCc1nocc1/C=C/C(=O)c1ccc(OC(C)C)cc1 834408011 GLDQEZOIVCJLFH-JXMROGBWSA-N 285.343 3.920 30 20 CHED CC(C)[C@@H]1N(C(=O)C#Cc2cccs2)CC12CCCC2 837189883 HEIFXHOIFGLAPP-INIZCTEOSA-N 287.428 3.527 30 20 CHED COc1cccc2c1CC/C(=C/c1scnc1C)C2=O 588618236 IXOFRRBBKJNJEY-FLIBITNWSA-N 285.368 3.673 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(Cl)c(C)c1 905512745 HVVNZTPAZBGJAF-LBPRGKRZSA-N 266.772 3.863 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2ccc(Cl)c(F)c2)C1 839059430 POSPMXNCUDQRMU-VXGBXAGGSA-N 295.741 3.647 30 20 CHED CC(C)c1cccc2c1OCC/C(=C\c1cncn1C)C2=O 901485417 IZYZEBOABVDSSP-UKTHLTGXSA-N 296.370 3.592 30 20 CHED C=CCCCOC(=O)c1cc2ccccc2nc1C 735529092 XIIVBOKDRYGGNN-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1C(=O)CCCCCC#N 588654478 VGTOQNIJXPTZDR-CYBMUJFWSA-N 288.366 3.745 30 20 CHED c1ccc(CCCCON=C2CCCOCC2)cc1 588510441 CXQFPZJNZVCTIG-UHFFFAOYSA-N 261.365 3.582 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1ccc(F)cc1C#N 581138494 RLYIZJXEMVGZTF-NSHDSACASA-N 277.343 3.740 30 20 CHED C/C=C(/CC)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 588570115 VAISKUMDPGKYNP-BXVXIVLCSA-N 297.383 3.738 30 20 CHED C=CC(C)(C)C(=O)O[C@@H]1CCCc2nc(C)sc21 835156674 OFWBAQJDGSGCDH-LLVKDONJSA-N 265.378 3.584 30 20 CHED C=CCC[C@H](C)OC(=O)c1ccc2cnccc2c1 835267692 MSHDMXNVXQKILU-LBPRGKRZSA-N 255.317 3.746 30 20 CHED CCCCNN=Cc1cc(Cl)c(OCCC)c(OC)c1 915969606 NVMDBSMLXDRUEO-UHFFFAOYSA-N 298.814 3.861 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839048002 BHOTXDPEPTZLFK-GVDBMIGSSA-N 285.387 3.881 30 20 CHED C=CC[C@@H](C(=O)OC[C@H](C)SC)c1ccccc1 835683770 BDNGRTQLKILRFH-GXTWGEPZSA-N 264.390 3.641 30 20 CHED CC(C)(C)C#CC(=O)N1CCC[C@H]1/C=C\c1ccccc1 837521289 AXNPCZDTYLNPFP-CPFIRTDXSA-N 281.399 3.740 30 20 CHED Cc1cc(C#N)ccc1-c1ccc(CCN(C)C)cc1 593954951 UZIDNYIEPLRPLY-UHFFFAOYSA-N 264.372 3.638 30 20 CHED C[C@H](CCc1ccccc1)CN1CCC[C@H](CC#N)C1 597176244 GWHILJYMMRKDOY-SJLPKXTDSA-N 270.420 3.881 30 20 CHED CC[C@@H](C(=O)N(C)[C@@H](C#N)CC)C1CCC(C)CC1 594086254 QWULWDAVILKHJC-NEXFUWMNSA-N 264.413 3.599 30 20 CHED Cc1nn(C)c(Cl)c1CSc1ccc(C#N)cc1F 741860908 QXIXAFFPIZDSHS-UHFFFAOYSA-N 295.770 3.685 30 20 CHED CCCCCCCn1cccc(C(F)(F)F)c1=O 915671759 WUHMZVWAODYAKQ-UHFFFAOYSA-N 261.287 3.838 30 20 CHED C=CCOc1cccc(/C=C/c2ccc(C(=O)OC)cn2)c1 917146359 LFWRPEXIHXIOSL-VQHVLOKHSA-N 295.338 3.603 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1cccs1 206088608 MACBYHVPMPLFNA-XQRVVYSFSA-N 250.269 3.922 30 20 CHED C#Cc1ccc(C(=O)Nc2cccc(CSCC)c2)nc1 741596720 YFGZXNJBEDZFCZ-UHFFFAOYSA-N 296.395 3.568 30 20 CHED CC(C)O[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 593054597 WQLWTSGOYXKMLT-MRXNPFEDSA-N 292.810 3.601 30 20 CHED CC1(C)CC(C(=O)N(CC#N)c2ccc(Cl)cc2)C1 843610967 PBYUIUUHHGTEFY-UHFFFAOYSA-N 276.767 3.633 30 20 CHED CCCCCCC(=O)OCc1ccc(C#N)cc1C 748935142 JBJZDGSBTHGJDE-UHFFFAOYSA-N 259.349 3.880 30 20 CHED COc1ccc2ccccc2c1CN1CCC[C@H](CC#N)C1 597175081 VRBFLDVFKKMTOR-OAHLLOKOSA-N 294.398 3.974 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1sc2ccccc2c1Cl 847173222 PEBFGUSNRVGUFJ-SECBINFHSA-N 292.791 3.929 30 20 CHED CC[C@](C)(C#N)C(=O)OCC[C@@H]1CCc2ccccc21 849775373 IKSMVTORCDKNNZ-WMLDXEAASA-N 271.360 3.590 30 20 CHED N#C[C@H](Cc1ccccc1)Nc1ccc2c(c1)C(=O)CCC2 674237351 FEPYPBCQGWDQTE-KRWDZBQOSA-N 290.366 3.752 30 20 CHED CCC(=NNCc1ccc(F)c(F)c1)c1cccs1 915976092 IFMXROIKHPNFMD-UHFFFAOYSA-N 280.343 3.930 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)N1CCC(CC#N)CC1 591335604 UBTQDMWWOKWEBN-HUUCEWRRSA-N 291.439 3.536 30 20 CHED Cc1ccc(CN(CC#Cc2ccc(F)cc2)C2CC2)o1 676557288 PWUBGYWKZJSRQI-UHFFFAOYSA-N 283.346 3.743 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2nc(C(F)F)[nH]c2c1 684939300 OTQNOGDVBQAGMY-JTQLQIEISA-N 293.317 3.585 30 20 CHED CC(=NNc1nccc2sccc12)c1csc(C)n1 915980686 ZDHFHCULVIVESN-UHFFFAOYSA-N 288.401 3.897 30 20 CHED Cc1cccc(O[C@H](C)C/N=C/c2ccccc2O)c1 741845716 VUSDGMFDAOBFMV-CRRKTRLDSA-N 269.344 3.587 30 20 CHED Cc1ccc(N(C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 846851521 NSWIYQLQHQDPBF-HNNXBMFYSA-N 292.382 3.708 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OCCCC(C)(C)C#N 848798677 SNIDWXWYOQJEDN-CQSZACIVSA-N 298.386 3.610 30 20 CHED C=C[C@@H](C)ONC(=O)[C@H](CC)Oc1ccccc1C(C)C 846543877 CVPGHQHXHJRAQH-HIFRSBDPSA-N 291.391 3.590 30 20 CHED C=CCC[C@@H](NC(=O)NOCC(=C)C)c1ccccc1 845600485 HXDPWRNKOQBLSN-OAHLLOKOSA-N 274.364 3.501 30 20 CHED C#CCCCNc1ccc(C(F)(F)F)c(Cl)n1 742422723 AUTNXWJMCHQGKD-UHFFFAOYSA-N 262.662 3.579 30 20 CHED Cc1cc(C)c(/C=C2/CCc3c(cnn3C)C2=O)c(C)c1 915988849 KFWFBXTVHGZFMU-ZROIWOOFSA-N 280.371 3.558 30 20 CHED C=CCC(C)(C)C(=O)NCCC[C@H]1CC1(Cl)Cl 844958522 QWCLWNMLUCKQPF-JTQLQIEISA-N 278.223 3.679 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cccc(C(C)C)n1 748906014 MHUVNVAVUNLAJJ-UHFFFAOYSA-N 294.354 3.742 30 20 CHED C#CCCCNC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 743692281 WBXWPZQDPNPZNE-OAHLLOKOSA-N 290.407 3.874 30 20 CHED CCn1ccc(CN(C)CC#Cc2cccc(Cl)c2)c1 683029483 LAGIGUAEFVOUEK-UHFFFAOYSA-N 286.806 3.645 30 20 CHED CC(C)[C@@H]1CCC[C@@H]1NCCc1ccc(C#N)cc1 595055385 CDHVAQNAPNVIEZ-IRXDYDNUSA-N 256.393 3.515 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cccc(C(F)(F)F)c1C 844560278 MDDNDRSWNIGGCW-QMMMGPOBSA-N 288.269 3.641 30 20 CHED C#C[C@H](C)OC(=O)c1cc2c(Cl)cccc2s1 744180278 IMETVQVUFWSFMP-QMMMGPOBSA-N 264.733 3.733 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNCC(F)F 740617534 AQBCDRFMYFZTKB-UHFFFAOYSA-N 254.324 3.585 30 20 CHED COc1ccc(C)cc1[C@H](C)N[C@H](C)CC(C)(C)C#N 924583116 WURMLCWKJJHKBK-KGLIPLIRSA-N 274.408 3.983 30 20 CHED CCC1(C(=O)Oc2cccc(OCC#N)c2)CCCCC1 841343527 CKXKEUVATPHZSD-UHFFFAOYSA-N 287.359 3.855 30 20 CHED C[C@H](Cc1ccccn1)N[C@@H](CCC#N)c1ccccc1 925601745 OESRDWIOCFYGOB-QAPCUYQASA-N 279.387 3.647 30 20 CHED Cc1cc(CON=CC(=O)Nc2ccccc2)c(C)s1 920399223 NVBXMESAICRUOG-UHFFFAOYSA-N 288.372 3.506 30 20 CHED CCc1ccc(C=NN[C@H](C)c2ccccc2)cc1 920385816 HXICMLQXXCCMIM-CQSZACIVSA-N 252.361 3.934 30 20 CHED N#C[C@H](C(=O)CCC1CCC1)c1ccc2ccccc2n1 750682714 LNTILIJOAILPRB-HNNXBMFYSA-N 278.355 3.991 30 20 CHED C[C@@H](NN=C1CCCc2cc(O)ccc21)c1ccccc1 750936453 SKSCYFANHIIMEJ-CYBMUJFWSA-N 280.371 3.783 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C/c1ccc(F)cc1 759608870 FLEVDDDGMMDEKS-BJMVGYQFSA-N 287.309 3.927 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(-n2cccn2)cc1 925191724 RHUHPJHPPRABLI-GJZGRUSLSA-N 296.418 3.851 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc2c(c1)C[C@@H](OC)C2 753576922 XMVMDCMZSZQRQS-DCGLDWPTSA-N 259.393 3.813 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCc1cccc(F)c1F 851209775 JXUZEIKXJIJVPW-NSHDSACASA-N 295.329 3.769 30 20 CHED C#C[C@H](CC)NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 754375272 XBIXGAXZIAWIPK-MRXNPFEDSA-N 299.414 3.512 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc(O)cc1)C2=O 921264742 XZELZGBPDLLITB-NTEUORMPSA-N 250.297 3.523 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccccc1)C(F)(F)F 682420153 TVDGNOKBWAFEMZ-LBPRGKRZSA-N 286.297 3.508 30 20 CHED CCC(CC)n1nccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851207898 JHTYEQMVSZHONN-LBPRGKRZSA-N 291.395 3.729 30 20 CHED CCC(=NO[C@H]1CCCCO1)c1ccc(CC)cc1 755818551 SADPWEKTYYPBNQ-INIZCTEOSA-N 261.365 3.906 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc3ncccc3c2)c1 920376182 DVHFXHPXSRSGND-UHFFFAOYSA-N 283.281 3.959 30 20 CHED Cc1cc(CN[C@@H]2CC[C@@H](C#N)C2)c(C)n1-c1ccccc1 858543176 QPKAUGXJDWMRNR-SJLPKXTDSA-N 293.414 3.876 30 20 CHED CC(=NNc1ccccc1Br)C1CCOCC1 755892446 HLDRSZJFNUKPML-UHFFFAOYSA-N 297.196 3.664 30 20 CHED C=C(Br)COC(=O)C[C@H]1CCCC[C@H]1C 920724962 JBXOKGITYJPZKZ-MWLCHTKSSA-N 275.186 3.655 30 20 CHED Clc1cnc(NN=C2CC[C@H](c3ccccc3)C2)nc1 857220700 LSBMSCYCBPVRTP-LBPRGKRZSA-N 286.766 3.866 30 20 CHED C=CCc1cc(CN(CC)[C@H](C)C(C)C)c(O)c(OC)c1 754719535 DAJHPRXVEBCXAR-CQSZACIVSA-N 291.435 3.996 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1cc(F)ccc1C 853783338 KPNVNQVTBODVJI-SNVBAGLBSA-N 287.787 3.947 30 20 CHED C[C@@H]1C[C@@H]1C=NNCc1ccc(Cl)cc1Cl 758373659 ZHXGOLXKTQGMMP-PSASIEDQSA-N 257.164 3.725 30 20 CHED Cc1ncc([C@H](C)NCCCCC2(C#N)CCC2)s1 931467589 KJQJAJCEXPIJFS-LBPRGKRZSA-N 277.437 3.966 30 20 CHED CCCc1ccc(OC(=O)c2ccc(C#N)s2)cc1 752230274 XZLJMURXRWHFPD-UHFFFAOYSA-N 271.341 3.791 30 20 CHED C=CCC[C@@H](NC(=O)N[C@H]1C=CCC1)c1ccccc1 852221035 MJPHLHAAKUUQBL-JKSUJKDBSA-N 270.376 3.712 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(-c2cn[nH]c2)c1 935137635 CMHCFKGHBYGGCZ-GFCCVEGCSA-N 269.348 3.618 30 20 CHED C=C(C)CCNCc1ccc(OC)c(Br)c1 386777485 LOUACPLPTFDEHY-UHFFFAOYSA-N 284.197 3.514 30 20 CHED FC(F)(F)c1sccc1C=NNC1CCCC1 863089329 POWMHOBHZJKOJR-UHFFFAOYSA-N 262.300 3.633 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)COc1cccc(C#N)c1 768188396 UCZQTZNIEHNRCZ-AWEZNQCLSA-N 295.338 3.550 30 20 CHED COc1c(F)cc(NCc2ccc(C#N)c(C)c2)cc1F 767682309 QLFFBOMBTKPAGS-UHFFFAOYSA-N 288.297 3.766 30 20 CHED C#CCCc1noc([C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 762015728 CFNAIIOMOGYCJS-MGPQQGTHSA-N 258.365 3.709 30 20 CHED CCC1(CC)C(=NNc2ccc(Cl)nc2)C[C@@H]1OC 762604264 NLVYVJJFQJKJCI-LBPRGKRZSA-N 281.787 3.728 30 20 CHED N#Cc1ccc(OC(=O)[C@@H]2CCCc3ccccc32)c(F)c1 769739706 DXXQHAHBWLUHGP-OAHLLOKOSA-N 295.313 3.723 30 20 CHED CCO[C@H]1CCCC1=NNc1nccc2sccc12 766450559 ODKMIGLTUMNPSB-LBPRGKRZSA-N 275.377 3.653 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnn(CC(C)C)c1CC 935097082 OSIPGSQSJVQPGQ-CYBMUJFWSA-N 277.412 3.642 30 20 CHED Cc1cccc(C)c1C(=O)Oc1ccc(C#N)cc1F 769740478 UBNOFFJNLYRINY-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1ccc[nH]1 760860626 QNNSBCXESCKBLH-AWEZNQCLSA-N 289.423 3.854 30 20 CHED FC(F)(F)CON=Cc1cc(Cl)cc(Cl)c1 764846624 MFOXJQGRQKCGSS-UHFFFAOYSA-N 272.053 3.906 30 20 CHED C#CCCOc1ccc(CN(C2CC2)[C@H](C)C2CC2)cc1 768531871 FLASEFZEKXMPQC-OAHLLOKOSA-N 283.415 3.852 30 20 CHED CC#CCCOC(=O)[C@@H](C)c1ccc2ccccc2c1 760294345 HXFKTEXDRZDMDI-AWEZNQCLSA-N 266.340 3.900 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C1/CC[C@@H](C)C1 762620514 SESWXGSWZONXNW-KECPUOCWSA-N 262.397 3.712 30 20 CHED C=CCCC(=O)COC(=O)[C@H](CC(C)C)c1ccccc1 761405804 UNFSMOBEDCUCBS-QGZVFWFLSA-N 288.387 3.895 30 20 CHED COc1cc(OC(=O)C2CCC(C)(C)CC2)ccc1C#N 767158912 HWRRGXSAGZHWPK-UHFFFAOYSA-N 287.359 3.689 30 20 CHED CC(=NNc1cnn(C)c1)c1ccc(-c2ccccc2)o1 761881449 NNXBYGXQPVMCDZ-UHFFFAOYSA-N 280.331 3.516 30 20 CHED C(=NNCc1ccccc1)c1cnc(C2CCCC2)s1 767758493 CFGIUJUAZARDRJ-UHFFFAOYSA-N 285.416 3.924 30 20 CHED Cc1cccc(NN=Cc2c[nH]c3ccc(C#N)cc23)c1 760214934 BXVWWFUPHOTHQF-UHFFFAOYSA-N 274.327 3.794 30 20 CHED Cc1sc2ncnc(NN=C3CCC[C@@H]3F)c2c1C 872330360 MBAJIJMXHFKPNH-VIFPVBQESA-N 278.356 3.598 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc(-c2ccco2)s1 766337905 FNZJBIDCOKANRK-LLVKDONJSA-N 275.329 3.713 30 20 CHED COc1ncc(C=NNc2ccc(C)c(Cl)c2)s1 1117692777 LGFOEQVUCFFOGD-UHFFFAOYSA-N 281.768 3.560 30 20 CHED C=CCCc1nc(-c2cccc(C(F)F)c2)no1 771506431 AJQKHRHOYZCQLR-UHFFFAOYSA-N 250.248 3.793 30 20 CHED C=CC[C@H](C(=O)NOC1CCCCC1)c1ccccc1 779322798 DAFITGCNAGJAAV-INIZCTEOSA-N 273.376 3.727 30 20 CHED N#CCC[C@@H](NCc1ccc(Cl)cn1)c1ccccc1 778233055 HTNIBOKHUIECEH-MRXNPFEDSA-N 285.778 3.870 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)c(Cl)n1C 775922913 FUUJPSOMBBWONK-VIFPVBQESA-N 289.206 3.807 30 20 CHED C#CC[C@H](NCc1ccc(C#N)cc1C)c1ccccc1 776798162 HBYUTKZIGXTCOK-IBGZPJMESA-N 274.367 3.721 30 20 CHED C#CCCCCCC(=O)N(CCC(F)(F)F)CC1CC1 779981565 NZUVFHFVNNZJLH-UHFFFAOYSA-N 289.341 3.761 30 20 CHED Cc1ccnc(NN=C2CCCc3ccc(F)cc32)c1 776188039 SNWAVQYOJOWZLB-UHFFFAOYSA-N 269.323 3.682 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)c1 878901503 CFBCSIDCROGZNA-YHYXMXQVSA-N 299.333 3.640 30 20 CHED C[C@@H]1CC(=NOCCC(F)(F)F)c2c(O)ccc(F)c21 777462465 BRIODRXNQICDIZ-SSDOTTSWSA-N 291.244 3.712 30 20 CHED CCN(Cc1cccc(C#N)c1F)c1ccc(OC)cc1 774664976 WVLSFFCUHMUWCC-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CCn1cc(C(=O)OCCC(C)(C)C#N)c2ccccc21 776369482 OFOUTWKUAJEEMD-UHFFFAOYSA-N 284.359 3.758 30 20 CHED C=C(CC)COC(=O)c1nc(-c2cccs2)oc1C 773494757 OITIMQKSOUJNQF-UHFFFAOYSA-N 277.345 3.835 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ncccc2C)CCCC1 1120815464 CBJNQEBFORUWJK-CQSZACIVSA-N 272.392 3.704 30 20 CHED O=C(/C=C/c1cc(F)cc(Cl)c1)c1ccncc1 776722034 MMNJQAAGIIRZFV-OWOJBTEDSA-N 261.683 3.770 30 20 CHED Cc1cc(C)c(C(=O)OCCC(C)(C)C#N)c(C)c1 776365534 RNCQDLSWZFPQDC-UHFFFAOYSA-N 259.349 3.709 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1cc(C#N)ccc1F 888360241 FGULFPZCXFUMDX-LLVKDONJSA-N 277.343 3.597 30 20 CHED CSc1ccc(CNc2ccccc2O[C@@H](C)C#N)o1 883084439 RHILMHXSVUPLCA-NSHDSACASA-N 288.372 3.904 30 20 CHED C=C1CCC(C(=O)OCc2noc(-c3ccccc3)n2)CC1 885653503 PESBEMDWUGNUCX-UHFFFAOYSA-N 298.342 3.526 30 20 CHED CC[C@@H]1CCN(c2c(Br)cccc2C#N)[C@H]1C 1458334750 YGJKNCSYMYAJMP-WDEREUQCSA-N 293.208 3.946 30 20 CHED COc1ccc(NN=C2CC(C)(c3ccccc3)C2)nc1 780271632 VGLXPPYDTALUPQ-UHFFFAOYSA-N 281.359 3.610 30 20 CHED COc1ccc(NN=C2c3cccc(F)c3CC[C@@H]2C)nc1 780265701 OQXSDNGACUNSFU-NSHDSACASA-N 299.349 3.628 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNC(=S)Nc2ccccn2)C1 783857081 RVGSLTJQDFGASB-CHWSQXEVSA-N 290.436 3.570 30 20 CHED N#CCC1(OC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCC1 788145850 YIVAZZVEMPROFE-UONOGXRCSA-N 289.762 3.823 30 20 CHED O=C(O)c1ccccc1NN=C1CCC12CCCC2 788701553 GQLDKTSVWKGPOT-UHFFFAOYSA-N 258.321 3.507 30 20 CHED C[C@@H](C=NN[C@H]1CCOC(C)(C)C1)CCc1ccccc1 780249790 DNFBTTHHNPCFKQ-WBVHZDCISA-N 288.435 3.788 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1cc(C#N)oc1C 890616816 YMCVVWVQNLRFRI-MRXNPFEDSA-N 280.327 3.567 30 20 CHED Cc1ccc(C(=O)OCCCC(C)(C)C#N)c(F)c1 784000979 KGRORMGLZNKEGZ-UHFFFAOYSA-N 263.312 3.621 30 20 CHED CC(C)(C)C[S@](=O)CCCCC1(C#N)CCC1 899290079 YKFIRRKZNDHZRU-QGZVFWFLSA-N 255.427 3.645 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=Nn1cnc2ccccc21 782224837 DEDLHEKWCOOYJJ-UHFFFAOYSA-N 292.317 3.847 30 20 CHED CC(C)[C@@H](F)C(=O)OCc1ccccc1C(C)(C)C#N 784297725 FQZVDYXTESXULJ-CQSZACIVSA-N 277.339 3.525 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(SC)c(C(=O)O)c1 899539577 BXIHARPUEBMJLZ-JTQLQIEISA-N 293.388 3.648 30 20 CHED C=C1CCC(C(=O)N2CCCC3(CCCC3)C2)CC1 897505809 YMFGANRKQQXITB-UHFFFAOYSA-N 261.409 3.916 30 20 CHED CCCC[C@@H](CC)C(=O)NO[C@@H](C)c1cccc(C#N)c1 794726041 JXZOIZQCXLCVMJ-DZGCQCFKSA-N 288.391 3.883 30 20 CHED C[C@H]1CSCC1=NNc1cc(C(F)(F)F)ccc1F 794923581 PRGCKBKUSFMLLC-ZETCQYMHSA-N 292.301 3.995 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1Cc2ccc(F)cc21 796075737 RECMQNVXROMRFQ-OAHLLOKOSA-N 289.350 3.729 30 20 CHED CCCN(Cc1cccc(C#N)n1)[C@H]1CCc2ccccc21 1204803257 KIAUYRLUSFEKBA-IBGZPJMESA-N 291.398 3.853 30 20 CHED N#Cc1ccc(C(=O)Oc2cc(Cl)cc(Cl)c2)o1 796731374 IAECKVMLCSNXFJ-UHFFFAOYSA-N 282.082 3.677 30 20 CHED CC(=NOC1CCCC1)c1ccc(Br)cn1 794525859 BJXNOHQUHYBZEL-UHFFFAOYSA-N 283.169 3.527 30 20 CHED C=CCCCCC[C@H](C)NC[C@H](O)c1ccccc1F 793520247 FDRGGWLFASHTTQ-YOEHRIQHSA-N 279.399 3.974 30 20 CHED Cc1cccnc1NN=C1CC(C)(C)c2ccccc21 790189732 CXFZWVSLUQGWGW-UHFFFAOYSA-N 265.360 3.888 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC)Cc1ccc(Cl)s1 791068700 AGYWCGSYXQAECJ-NSHDSACASA-N 298.839 3.735 30 20 CHED COCc1cccc(/C=C2/CCc3ccc(O)cc3C2=O)c1 794959509 BEIIULHJFZATAO-YBEGLDIGSA-N 294.350 3.751 30 20 CHED N#CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCC1 245851512 BJCRMZFUTYTFJB-QLFBSQMISA-N 274.408 3.545 30 20 CHED Cc1cc(N2CCC(CC(C)C)CC2)c(C#N)cn1 1306993328 NHFYDJVKHQABTE-UHFFFAOYSA-N 257.381 3.524 30 20 CHED CC(C)(C#N)CCCCN1CC=C(C(F)(F)F)CC1 409446042 YMEIEMWARGSBHQ-UHFFFAOYSA-N 274.330 3.901 30 20 CHED CC(C)(C#N)c1nnc(Cc2cccc3ccccc23)o1 1328331656 UIKHJSSHUPMIDC-UHFFFAOYSA-N 277.327 3.615 30 20 CHED CC[C@H](C)N(C(=O)c1csc(C#N)c1)[C@H](C)CC 1324990046 QKDKVPZSVXMHKI-PHIMTYICSA-N 264.394 3.659 30 20 CHED CC(C)(c1ccccc1)c1nnc(-c2cc(C#N)cs2)o1 1322907820 SBGGOSBOQCELGS-UHFFFAOYSA-N 295.367 3.996 30 20 CHED C=CCC1(C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)CCCC1 1326489297 QSAOGUUWPINNGK-ZIAGYGMSSA-N 281.465 3.865 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1 1322689932 VRXPAPKKCUSWIX-HOCLYGCPSA-N 282.387 3.519 30 20 CHED C(=NNc1cccnn1)C1CCC(c2ccccc2)CC1 1327014099 YBYQDIRVUQSBDQ-UHFFFAOYSA-N 280.375 3.848 30 20 CHED C=CC[C@H]1CCCN(CC(=O)Nc2ccccc2Cl)C1 661380005 KNOUXFUQCALNRD-ZDUSSCGKSA-N 292.810 3.567 30 20 CHED Cc1ccc2cc(C=NNCc3ccc(F)cc3)ccc2n1 1338649609 PQNIIKAZNWAIKN-UHFFFAOYSA-N 293.345 3.806 30 20 CHED N#Cc1ccc(CNC2CCc3ccccc3CC2)cc1F 1254452593 LBXDFMQETARICW-UHFFFAOYSA-N 294.373 3.735 30 20 CHED C=C(Br)CN1CCC(n2c(C)ccc2C)CC1 749114560 BJLNBUJHUKXHFW-UHFFFAOYSA-N 297.240 3.650 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)c(F)c1 695723467 GVNYOUGADCPEJA-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCC[C@@H](NC(=O)c1cnc(C(C)C)[nH]1)c1ccccc1 1253329555 LAGCHMIFSMQNOT-OAHLLOKOSA-N 297.402 3.970 30 20 CHED N#CC1(c2nnc(-c3ccc4ccccc4c3)o2)CCC1 1256007687 LCHVVPAASZJOJG-UHFFFAOYSA-N 275.311 3.835 30 20 CHED C=CCC[C@H](NC(=O)c1ocnc1CC)c1ccccc1 1262615726 SNSDRXVSQNWLBE-HNNXBMFYSA-N 284.359 3.674 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](CCC)c1ccccn1 1262654927 WNNUQQQOTQNRSY-CVEARBPZSA-N 286.419 3.923 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)[C@H](C#N)c1cccc(F)n1 1344004582 LVGFORVBBIPBTR-LSDHHAIUSA-N 296.345 3.666 30 20 CHED C=CCOc1cccc(CN(C)[C@@H]2CC[C@@H](SC)C2)c1 1341568671 ANOLFBPCQBSYNF-NVXWUHKLSA-N 291.460 3.967 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3c2CCCC3)c(F)c1 1350936100 WCZRBDXMHULOLP-UHFFFAOYSA-N 294.329 3.828 30 20 CHED C[C@@H]1CC[C@H](C(=O)OCc2ccc(CC#N)cc2)C[C@H]1C 1435687525 VADSCQSXRAPEGS-CPUCHLNUSA-N 285.387 3.868 30 20 CHED C=C[C@H](CC)CC(=O)OC[C@@H](C#N)Cc1cccs1 1358220082 OIAWPDIXSBIZCB-CHWSQXEVSA-N 277.389 3.576 30 20 CHED CC[C@@H](C(=O)N(CC)[C@@H](C#N)CC)C1CCC(C)CC1 1289299980 XZZFJHSGWXKYLJ-QDIHITRGSA-N 278.440 3.990 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1cccc(CC#N)c1 1458360710 VQUWMOIRJHEVBG-KRWDZBQOSA-N 284.403 3.793 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@@H]1CC 1295028856 DKHUTXVMEZJCLT-KBPBESRZSA-N 285.391 3.755 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)c2ccc(C#N)o2)CC(C)(C)C1 1524775806 PLARZCJTEDWIMC-OLZOCXBDSA-N 288.391 3.734 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)n1C)c1cc2ccccc2o1 1529383869 VVMWJEVDCHFJOZ-NSHDSACASA-N 294.310 3.561 30 20 CHED N#Cc1cccc(C(=O)Nc2ccccc2C(F)F)c1 1529638443 QBTKWESPAAIAAB-UHFFFAOYSA-N 272.254 3.748 30 20 CHED C#CC1CCN(CC2CCC(C(F)(F)F)CC2)CC1 830345879 XPMMEXLEZNHGLZ-UHFFFAOYSA-N 273.342 3.700 30 20 CHED CCc1cc(NC(=O)c2cc(C#N)ccc2F)ccc1F 1520929628 OAPGGUXCYNABCO-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C=CC[C@H]1CCC(=NNc2cccc(C(=O)O)c2F)C1 1602851397 JRYGHYXSCPWDKB-JTQLQIEISA-N 276.311 3.668 30 20 CHED Cc1cccc(/C=C\C(=O)c2cc(C(=O)O)cs2)c1 1600524679 KWKHIBIRGINAIR-WAYWQWQTSA-N 272.325 3.651 30 20 CHED CCCC[C@@H](CC)CN1CCN(c2ccccc2C#N)CC1 1615378985 LDFFCCWOBIRFAT-QGZVFWFLSA-N 299.462 3.897 30 20 CHED N#Cc1cccc([C@@H](Nc2ccc(C3CC3)cc2)C(=O)O)c1 1610631503 DCYHWXUQJZHMRZ-QGZVFWFLSA-N 292.338 3.673 30 20 CHED C=C(CC(C)C)C(=O)Nc1csc(-c2ccccn2)n1 1548682365 BIVJBVDORDIOER-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CC[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1ccc(C)cc1 1559711788 SQWPFYPGELCUJL-MOPGFXCFSA-N 294.398 3.641 30 20 CHED C[C@H]1CCCc2ccccc2[C@H]1N=c1cc[nH]c(C#N)c1 1642545150 GTFFCQBGBOHSOF-UGSOOPFHSA-N 277.371 3.501 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(Cl)c(F)c(C(=O)O)c1 1573346790 GSGNLAGXHNOSGE-MRVPVSSYSA-N 299.729 3.718 30 20 CHED CCN(CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)C[C@@H](C)C#N 1641631840 SVUSNFCFWMNBMW-XUWVNRHRSA-N 250.430 3.930 30 20 CHED N#CCc1cccc(NC(=O)c2cc3occc3s2)c1 1587610156 SFNRRBOVFBJZLE-UHFFFAOYSA-N 282.324 3.813 30 20 CHED C=C(C)c1cccc(NC(=O)c2cc(C)cc(C(=O)O)c2)c1 1588605675 MUUODLCPJSIGEV-UHFFFAOYSA-N 295.338 3.979 30 20 CHED C=CC[C@@H](Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)O 1588752367 WQQZJTXQAZWXGQ-GHMZBOCLSA-N 291.244 3.701 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1C)C1CCCC1 1675321022 QLLIWSSFLLRAJO-OAHLLOKOSA-N 285.391 3.957 30 20 CHED CCCCCCC[C@H](C)CNc1cc(C(=O)O)ncn1 1776782306 FFUABAQRDRYUSL-LBPRGKRZSA-N 279.384 3.583 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1ccc(F)c(C(=O)O)c1 1776062415 SNULRPRISUNBEG-ZJUUUORDSA-N 278.327 3.748 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1cc(C)co1 1776783031 RLBDIIHSPWWGBZ-CQSZACIVSA-N 281.396 3.881 30 20 CHED C=Cc1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)cc1 1776194374 CHUNJTUQXIDXLM-BQYQJAHWSA-N 284.336 3.985 30 20 CHED COc1ccc(C)cc1NCc1ccc(C#N)cc1F 20048902 CJTVDEZVHWNZCV-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1c(NN=C2CC(C3CCC3)C2)cccc1C(=O)O 1776089092 BDIYLLRLYXHHLA-UHFFFAOYSA-N 272.348 3.671 30 20 CHED C=CCN(Cc1cccc(C(=O)O)c1)Cc1ccccc1F 1776180983 MJKBAONAYQPNRG-UHFFFAOYSA-N 299.345 3.712 30 20 CHED C=CC[C@@H](NCc1ccc(C2CC2)c(C2CC2)c1)C(=O)O 1776152547 YSIUTFYIGQHYEP-QGZVFWFLSA-N 285.387 3.560 30 20 CHED CC[C@@]1(C)CCCN(c2nc(C)c(C#N)cc2Cl)C1 1639530911 QYRJPQFZLIHNDT-HNNXBMFYSA-N 277.799 3.932 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C#N)c(Cl)c1 158502941 VCQUOSOBVXZTQJ-UHFFFAOYSA-N 274.751 3.919 30 20 CHED CCCCN(CC)Cc1ccc(O[C@@H](C)C#N)cc1 158973892 VKOWGBLVOMXAHM-AWEZNQCLSA-N 260.381 3.599 30 20 CHED C=CCN(C(=O)c1ccc(C)c(Br)c1)C1CC1 165364200 HZKONRKIIAKQBB-UHFFFAOYSA-N 294.192 3.548 30 20 CHED N#Cc1ccc(N2CCC[C@H](Nc3ccccc3)C2)cc1 152725410 HFVYCBJEGBREOH-KRWDZBQOSA-N 277.371 3.639 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1OC(C)C 152770405 UMGVWGPPSPQUKS-UHFFFAOYSA-N 294.354 3.906 30 20 CHED Cc1ccc2c(c1)nc(-c1ccc(O[C@H](C)C#N)cc1)n2C 154503991 TUMXXGSZTIWROI-CYBMUJFWSA-N 291.354 3.840 30 20 CHED CCCCCCCCN1CCC(OC(=O)N(C)C)CC1 815187933 XGNCVQVZVVOFEZ-UHFFFAOYSA-N 284.444 3.510 30 20 CHED COc1ccc(Cl)c(NCc2cccc(C#N)c2F)c1 230054988 CIFKCFGXROJHLE-UHFFFAOYSA-N 290.725 3.971 30 20 CHED COc1cc(CNc2cccc(SC)c2)ccc1C#N 234908606 DDQDKTKZFZINLD-UHFFFAOYSA-N 284.384 3.901 30 20 CHED CCN(CCCOc1cccc(C#N)c1)C1CCCC1 35766106 QDNOBSHMBCVQIL-UHFFFAOYSA-N 272.392 3.592 30 20 CHED C=C(CC)CSc1ccc(Br)cn1 308321107 YPCBFZNCVXERBM-UHFFFAOYSA-N 258.184 3.902 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc(SC)cc1 285868668 HWFQABMGDQNRJA-IAQYHMDHSA-N 276.405 3.526 30 20 CHED CCc1ccc(NCc2ccc(C#N)o2)cc1Cl 513002215 VNQWIGVRAXMWML-UHFFFAOYSA-N 260.724 3.979 30 20 CHED CC(C)(C#N)CCCSC1(CO)CCCCC1 312964920 DQOYRIBUSGABBT-UHFFFAOYSA-N 255.427 3.745 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1oc2ccccc2c1C 320630038 KFCDODLXHIPSGA-KGLIPLIRSA-N 273.376 3.719 30 20 CHED C[C@H](c1ccccc1)N(C)c1ncc(C#N)cc1Cl 358872539 RHQASJMUZWAIEM-LLVKDONJSA-N 271.751 3.804 30 20 CHED Cc1nc(C)c(COc2c(C)cc(C#N)cc2C)s1 360815046 DQLCWAJGSQBLOC-UHFFFAOYSA-N 272.373 3.827 30 20 CHED CC[C@@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1Cl 384292801 XVQGFNMWHIBERN-IAQYHMDHSA-N 262.784 3.832 30 20 CHED N#Cc1cc(F)cc(NC(=O)CC2CCCCC2)c1 720259796 IONBXIDSKKBODH-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CSc1ccccc1 343019935 HDUMYRSEFQPLOP-UHFFFAOYSA-N 290.432 3.567 30 20 CHED N#Cc1ccc(NC(=O)/C=C\c2ccc(Cl)cc2)cc1 108584707 CBUYNNDGXRWEFO-YHYXMXQVSA-N 282.730 3.864 30 20 CHED C=C(C)CN(C)Cc1c(C)nn(-c2ccccc2C)c1C 55083198 QPOHXFBSQQVLQM-UHFFFAOYSA-N 283.419 3.805 30 20 CHED Cc1noc(C)c1CNc1ccccc1SCCC#N 108352423 CYVGHJCRFRJZIO-UHFFFAOYSA-N 287.388 3.909 30 20 CHED CC(C)(NCc1cc(C#N)ccc1F)c1ccc(F)cc1 103482978 DNPSHUQGLFXBHA-UHFFFAOYSA-N 286.325 3.861 30 20 CHED CCCN(CC#N)Cc1ccc(-c2ccc(F)cc2)o1 179555741 LTRQNMYEVLKSFA-UHFFFAOYSA-N 272.323 3.821 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(C#N)c2)C1 345074126 JXIFHRVUOIWODZ-ZJUUUORDSA-N 262.740 3.586 30 20 CHED C=CCN(Cc1nc2ccccc2n1C)c1ccccc1 170607001 QGZHVGRFISWPMG-UHFFFAOYSA-N 277.371 3.766 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 173303091 SPCRESZVAUPERZ-DYVFJYSZSA-N 291.354 3.783 30 20 CHED C[C@@H](Sc1cccs1)C(=O)NC1(C#N)CCCCC1 109708174 VXYSIDHKZFKDOS-LLVKDONJSA-N 294.445 3.571 30 20 CHED C=CCCSCC(=O)Nc1sc(C)c(C)c1C 173833809 XLIDUAXTBFYVHK-UHFFFAOYSA-N 269.435 3.921 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnn(C(C)(C)C)c1 179656941 ZGCTXICEVGDBCZ-GFCCVEGCSA-N 278.400 3.504 30 20 CHED CC(C)n1ncc2ccc(NCc3ccc(C#N)o3)cc21 178206836 NFADRLBQSSJDPC-UHFFFAOYSA-N 280.331 3.694 30 20 CHED N#Cc1cccc(N(Cc2ccco2)Cc2cccs2)n1 301869755 WILXQCYNSQNOMV-UHFFFAOYSA-N 295.367 3.815 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)CC[C@@H]1C 179524818 VOHMXKZEOAAWIZ-AAEUAGOBSA-N 271.364 3.519 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)cc1 175751858 CDRXSGNIGIJEOR-KBXCAEBGSA-N 290.366 3.576 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1snc(Cl)c1C#N 301697438 BWBXMIQJPUQRAZ-RKDXNWHRSA-N 287.841 3.754 30 20 CHED C[C@H](CNc1ccc(C#N)cn1)c1nc2ccccc2s1 301721539 MYXQNJJGPJFAQD-LLVKDONJSA-N 294.383 3.779 30 20 CHED CCC(CC)c1cc(CNCc2ccc(C#N)s2)on1 176976341 OKOYFRGBNCLWRC-UHFFFAOYSA-N 289.404 3.801 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Cl)cc1Cl 122395434 DRWQRQDRJVBIHV-UHFFFAOYSA-N 259.136 3.691 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@H]1C1CCCC1 112012341 ZZFYFELKVBMABG-HNNXBMFYSA-N 258.340 3.856 30 20 CHED CCCSCC(=O)Nc1sc(C)c(CC)c1C#N 68678094 LOKPMTVBKWTONN-UHFFFAOYSA-N 282.434 3.572 30 20 CHED CC(C)(CNc1cccc(C#N)n1)Cc1ccccc1 301272275 KLKBXGSFKIQVPQ-UHFFFAOYSA-N 265.360 3.634 30 20 CHED C=CC1CCN(C(=O)C(C)(C)Cc2ccccc2)CC1 117660968 ZACYIRULYFIYMF-UHFFFAOYSA-N 271.404 3.680 30 20 CHED Cc1ccccc1N/C(N)=N/C[C@H](c1cccnc1)C(C)C 177290286 AJDATIWCUJVPJL-INIZCTEOSA-N 296.418 3.556 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccsc2)cc1 173017912 PZYDDRYNCCOGPU-VOTSOKGWSA-N 258.342 3.791 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccnc2cc(F)ccc12 301305924 ZXLFMAPXFAQVFD-UHFFFAOYSA-N 291.329 3.882 30 20 CHED Cc1ccc(NC(=O)C#Cc2ccccc2)c(Cl)c1 177789128 SZUZUGYPTBTTHY-UHFFFAOYSA-N 269.731 3.639 30 20 CHED N#Cc1cccc(Cl)c1N1CCC2(CCCC2)C1 301466661 LWOPTKGDFNQSOJ-UHFFFAOYSA-N 260.768 3.982 30 20 CHED C=CCN(Cc1cccs1)Cc1cccnc1Cl 129694955 NPDRTCQUAAUAAP-UHFFFAOYSA-N 278.808 3.985 30 20 CHED C=CCCC[C@H](C)Nc1nc(C(F)(F)F)nc2[nH]cnc12 302897205 RHNFGIPHHDBGRL-QMMMGPOBSA-N 299.300 3.528 30 20 CHED C=CCC[C@H](NCCCCN1CCC[C@@H](C)C1)C1CC1 120197942 GKRWDJQSJKLZBP-AEFFLSMTSA-N 278.484 3.833 30 20 CHED N#Cc1ccc2nc(NCCc3ccccc3)ccc2c1 301835495 WPDLADCXIFLUCO-UHFFFAOYSA-N 273.339 3.761 30 20 CHED Cc1ccc(CNc2ccc(C#N)nc2)c(OC(C)C)c1 301556425 ISBRHAPXRGFXLL-UHFFFAOYSA-N 281.359 3.661 30 20 CHED COc1ccccc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 37217614 JWXLGUHTRGBUBX-KGLIPLIRSA-N 280.371 3.979 30 20 CHED CC(C)CCN(CCC#N)C(=O)N(C)Cc1ccccc1 185838513 UIDLMTDMSXNQBR-UHFFFAOYSA-N 287.407 3.500 30 20 CHED Cc1cc([C@H](C)Nc2cccc(C#N)c2[N+](=O)[O-])c(C)o1 125893876 DIAIJEREPPIURW-JTQLQIEISA-N 285.303 3.849 30 20 CHED C=CCCC(=O)Nc1ccccc1N(C)C1CCCC1 125835214 OYOGYBMUTTWNAC-UHFFFAOYSA-N 272.392 3.970 30 20 CHED CC(C)(C)OC(=O)CCCCCNc1ccc(C#N)cc1 503310013 IHJAFJHUMDDCJK-UHFFFAOYSA-N 288.391 3.872 30 20 CHED C=CCOCCSCc1ccc(C#N)cc1OC(F)F 419423670 IYRZUQYZKFYDKY-UHFFFAOYSA-N 299.342 3.595 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1c1ncc(C#N)cc1F 413322821 HMYMHDROJYTYLG-DVOMOZLQSA-N 295.361 3.863 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(F)c(F)c1C 417506247 LJSWPDYKHDBYBF-SNVBAGLBSA-N 268.307 3.749 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](CC)CSC)c1ccccc1 188973394 CKFIIUSXJOIBRQ-HOTGVXAUSA-N 291.460 3.994 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(C)c([N+](=O)[O-])c1 314344044 HUPPOPFWYDYHTC-UHFFFAOYSA-N 282.299 3.662 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(C)cn1)c1ccccc1 186221690 YYNCBJOAFDCBTM-OAHLLOKOSA-N 266.344 3.688 30 20 CHED C=C[C@@H](CC(=O)NCc1ccccc1F)c1ccccc1 122716333 ISHJNUTYQZKBPE-AWEZNQCLSA-N 283.346 3.802 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 213700512 WOODJWVKWGPVMJ-FLIBITNWSA-N 267.284 3.799 30 20 CHED CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C 412376656 ATJFQLNMOLHYNG-GVDBMIGSSA-N 298.430 3.993 30 20 CHED N#CC1(c2ccccc2)CC(NCCOC2CCCCC2)C1 316089554 MAEXGTZKPACKSI-UHFFFAOYSA-N 298.430 3.549 30 20 CHED CC(C)(CCC#N)CN1CCc2c(F)cccc2C1 123818886 OEFKDTRQWYHDAR-UHFFFAOYSA-N 260.356 3.514 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 183722516 CWLHLLLVZYCZMM-JKSUJKDBSA-N 296.455 3.578 30 20 CHED N#CC1(CNC2CC(c3ccc(Cl)cc3)C2)CCC1 418145669 YPVHVZONVOJIQL-UHFFFAOYSA-N 274.795 3.869 30 20 CHED C[C@@H](CC(=O)OCCCC#N)Cc1ccc(Cl)cc1 180400044 LEICAWBTTABUFP-GFCCVEGCSA-N 279.767 3.756 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC(C)C)c1ccccc1 182226029 KYLWFVGIHMTFEN-MRXNPFEDSA-N 274.408 3.991 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)s2)[C@H]1C#N 444713832 BWPARWBKFMUFBN-NSHDSACASA-N 268.813 3.916 30 20 CHED C#CCC(C)(C)C(=O)N(CCC)CCc1cccc(F)c1 185788639 OMNFTFOZYQLGLD-UHFFFAOYSA-N 289.394 3.656 30 20 CHED CC(C)[C@H](CNc1ncc(C#N)cc1F)Nc1ccccc1 413033786 ABRZNYMMIOSBHN-INIZCTEOSA-N 298.365 3.641 30 20 CHED C[C@H](CNc1ccc(C#N)cn1)Sc1ccccc1 78505517 OXXSGKKUJMBZGM-GFCCVEGCSA-N 269.373 3.546 30 20 CHED CC(C)(C#N)C(=O)Nc1nc2c(ccc3ccccc32)s1 77893890 ROORMHFHKFZRKQ-UHFFFAOYSA-N 295.367 3.938 30 20 CHED CC[C@H](CC#N)NC(=O)CSc1ccc2ccccc2c1 183919527 HYJVPALRWUKGRL-OAHLLOKOSA-N 298.411 3.740 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ncc(Br)s1 129639414 WYECJMIHUWDWLJ-YUMQZZPRSA-N 275.215 3.521 30 20 CHED CCc1noc(CC)c1CN[C@H](C)c1cccc(C#N)c1 181878884 JRFZSASELRBIHN-GFCCVEGCSA-N 283.375 3.522 30 20 CHED Cc1ccsc1C(=O)[C@H](C#N)c1nc2ccccc2o1 41546276 YJFGNTSMRXBLRL-JTQLQIEISA-N 282.324 3.688 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(C)c1cccc(C#N)c1 74513597 QDCUEFGYENEMCY-ZDUSSCGKSA-N 270.376 3.737 30 20 CHED CCO[C@H]1CCN(CCC2(C#N)CCCCC2)C[C@H]1C 411784635 BZQDMRMMGAYCRD-CVEARBPZSA-N 278.440 3.597 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(CCC(F)(F)F)cc1 183855988 ZGKLGMPOOLYLMR-ZDUSSCGKSA-N 298.308 3.604 30 20 CHED C[C@@H](C#N)N(C)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 410893688 ZKSQLVUVOZTUTD-MNOVXSKESA-N 298.308 3.569 30 20 CHED C[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 131264795 KHLYOCPMTRWBTP-LBPRGKRZSA-N 281.315 3.682 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 609890675 KAGDGEZHPYCEOB-BFHYXJOUSA-N 255.365 3.724 30 20 CHED COc1ccsc1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 222637512 KBHUUKBBWLSCTJ-WAYWQWQTSA-N 289.312 3.561 30 20 CHED Cc1ccc(Br)c(OCC2(C#N)CCC2)c1F 418985911 XGLVREUGNNWJKE-UHFFFAOYSA-N 298.155 3.969 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCC 413823678 MZZBPJGHGOVVPW-INIZCTEOSA-N 274.408 3.615 30 20 CHED CN(CCCOc1cccc(C#N)c1)Cc1ccccc1F 195646075 YJOKABVVPXYRDB-UHFFFAOYSA-N 298.361 3.598 30 20 CHED CN(Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 507120612 LHLQRZCOVLGSAD-UHFFFAOYSA-N 292.382 3.731 30 20 CHED C[C@@H](CCC1CC1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425505927 ZNDOGZJWKBTYQG-KBPBESRZSA-N 299.418 3.839 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)[C@H]2CCC(=O)c3cccn32)CC1 329878617 LBUSVPLTFSJLDG-VNHYZAJKSA-N 288.391 3.931 30 20 CHED C=CCC[C@@H](C(=O)Nc1nc(C)ccc1O)c1ccccc1 429122187 OJYXYWUHENKOTO-OAHLLOKOSA-N 296.370 3.784 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 135049708 FGQKYFGVLVCNPY-HNNXBMFYSA-N 294.326 3.545 30 20 CHED CC(C)(C)c1nnc(N=C(O)[C@@H]2CCCSC2)s1 329508766 JKISUYRUDQMSNO-MRVPVSSYSA-N 285.438 3.567 30 20 CHED CCC[C@@H]1CCCCN1C(=O)NCC(C)(C)CCC#N 513113794 SEBZGKVFWUYJMI-CQSZACIVSA-N 279.428 3.681 30 20 CHED C[C@H](Nc1ccn(CCC#N)n1)c1ccccc1Cl 86154316 YAVBTPDVXUJOJQ-NSHDSACASA-N 274.755 3.623 30 20 CHED CCOc1ccc(C#N)cc1NCc1scnc1C1CC1 426140768 ACEWMOQFVWINHR-UHFFFAOYSA-N 299.399 3.903 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(Cl)cc1 429931661 JPWVVDOVYRCPDQ-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C=C[C@@H](Cc1nc(C2(N)CCCCC2)no1)c1ccccc1 424340754 HLRHUGQUNXTVQN-AWEZNQCLSA-N 297.402 3.700 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCCC(F)(F)C2)CC1 336217771 ONBSYHGHZZLHPD-OTTFEQOBSA-N 256.340 3.626 30 20 CHED C[C@@H]1CCC[C@@H](Nc2snc(Cl)c2C#N)C1 48558761 BQXOXVRXLRFDRI-HTQZYQBOSA-N 255.774 3.659 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1cc2ccccc2o1 190649215 YSGXEWDWHATRHZ-ZDUSSCGKSA-N 284.359 3.877 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)Cc2ccccc2C)n1 519170883 XBMWUPVYKSCWPL-OAHLLOKOSA-N 279.387 3.922 30 20 CHED O=C(CCCC1CCCC1)NCC#Cc1cccc(F)c1 513222176 LQVIVOFUQHCABJ-UHFFFAOYSA-N 287.378 3.654 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc3oc(C4CC4)nc3c2)C1 335231185 PEGMTCLOPCTNKO-PWSUYJOCSA-N 267.332 3.809 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)NCC(C)(C)C#N 512792505 LCLBTFAFTMBTEU-CQSZACIVSA-N 287.407 3.546 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N2CCc3ccc(C#N)cc32)C1 339813947 QXSUOIJFJNJLAP-KBPBESRZSA-N 282.387 3.664 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(C(F)F)c1Cl 334692645 WSDORBWSOULBGB-UHLUBPPHSA-N 284.693 3.766 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1c(F)cccc1F 331043834 DUMDFFAZUBEDRG-CQSZACIVSA-N 266.291 3.598 30 20 CHED C=CCN(CCOC)[C@@H](C)c1ncc(-c2ccccc2)o1 191136019 KAQAXFYEBYRQTG-AWEZNQCLSA-N 286.375 3.537 30 20 CHED Cc1ccoc1CN(C)Cc1ccc(Cl)cc1C#N 429406143 JNEANMWSMAIAIM-UHFFFAOYSA-N 274.751 3.745 30 20 CHED C=C(C)CN(CCCC(C)C)Cc1ccc(CO)o1 512191724 ARCHCTXZXCASOW-UHFFFAOYSA-N 265.397 3.586 30 20 CHED CC[C@H](C[C@H](C)CO)/N=C(/O)N[C@@H]1CCC(C)(C)C[C@H]1C 331163261 LQFNYXNAISSUCE-GBJTYRQASA-N 298.471 3.502 30 20 CHED CCSc1cccc(-c2noc(-c3cc(C#N)c[nH]3)n2)c1 426577523 CHBQGJULJSILAC-UHFFFAOYSA-N 296.355 3.715 30 20 CHED CCc1nnc(C)cc1/C(O)=N/CC1(CC)CCCC1 330827287 SBQRDROGPMYMNA-UHFFFAOYSA-N 275.396 3.622 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 424874096 BKTKTIVMVIIPAG-INIZCTEOSA-N 282.387 3.654 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCc1ccc(C#N)s1 421602699 NAGZIIPBGRFDID-GFCCVEGCSA-N 278.421 3.698 30 20 CHED N#CC1(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CCC1 332987693 ZKVOUVREBGECFJ-HOTGVXAUSA-N 282.387 3.523 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(SCC)c1 435726449 PPXYBMMKPSLHSX-NVXWUHKLSA-N 291.460 3.869 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H]1C[C@H]1CC)c1ccccc1 437550652 WKFOSYVRDUSFSY-VNQPRFMTSA-N 272.392 3.792 30 20 CHED CC(C)C1CCC(N(C)C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 433417500 LVNBIAMPDZVIAF-BHDPWAOGSA-N 291.439 3.535 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)CC#N)c(Cl)c1Cl 336249797 ABUDNQOYNPGVSH-SECBINFHSA-N 285.174 3.676 30 20 CHED N#C[C@H]1CC[C@@H](N2CCCn3c(cc4ccccc43)C2)C1 335815656 FJNMMUCLTVATBM-GOEBONIOSA-N 279.387 3.539 30 20 CHED C[C@@H]1[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1C1CC1 527871732 SIEPEHLGXUVFCK-KNXALSJPSA-N 282.387 3.718 30 20 CHED CN(Cc1cccc(C(F)F)c1)CC(C)(C)C#N 433316008 DEYURUZRQCBECF-UHFFFAOYSA-N 252.308 3.606 30 20 CHED C=CCCCCCN(C)C(=O)CO[C@H]1CCC[C@@H](C)C1 523510877 HDAVTJIZSHLXPT-CVEARBPZSA-N 281.440 3.787 30 20 CHED N#CC1(N(C(=O)C[C@@H]2C[C@@H]2c2ccccc2)C2CC2)CCC1 341609042 CRMJYKLEPHDAAO-DOTOQJQBSA-N 294.398 3.617 30 20 CHED CC[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 245540202 MBTLAGZTATYUIK-CABCVRRESA-N 272.392 3.599 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CC)c1nc(C)cs1 343440600 CSCGLFJZSBHWPS-CYBMUJFWSA-N 278.421 3.787 30 20 CHED COc1ccc(OCC2(C#N)CCC2)c(C(F)(F)F)c1 600578129 QWGFOAJLLLOMFG-UHFFFAOYSA-N 285.265 3.787 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cc(C#N)cs1)CO2 255072055 JYCWWFGQZSOKQR-AWNIVKPZSA-N 295.363 3.895 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 609129466 UVTWUQXLAGTGNF-OLZOCXBDSA-N 298.308 3.531 30 20 CHED CC(C)Oc1ccc(N=Cc2ccccc2O)cc1C#N 255720528 NRNDDQGAPHIIDW-UHFFFAOYSA-N 280.327 3.802 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)Nc1cccc2ccn(C)c12 602629234 GGSWQNJOQHVBDY-AWEZNQCLSA-N 297.402 3.689 30 20 CHED COc1cc(OC)c2ncc(C#N)c(NCC=C(C)C)c2c1 343231121 XHENXMIWOKZTNQ-UHFFFAOYSA-N 297.358 3.502 30 20 CHED C[C@@H](CC#N)NC(=O)Cc1coc2ccc3ccccc3c12 604510851 XLABFUULWZWKHX-LBPRGKRZSA-N 292.338 3.547 30 20 CHED C=CCC(C)(C)C(=O)N(CCC(F)(F)F)CC1CC1 520437589 BCPJZQUABBHSEL-UHFFFAOYSA-N 277.330 3.780 30 20 CHED C=CCC1(CN[C@H](C)[C@H]2CCCOC2)CCCC1 449606384 QKRACCLMKNEOLA-CABCVRRESA-N 251.414 3.528 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)CC#Cc1ccc(F)cc1 444656365 FAMJIAZDKPQFRO-YOEHRIQHSA-N 259.368 3.688 30 20 CHED CC(C)(C)N(Cc1ccc(F)cc1)Cc1cccc(C#N)n1 602463163 KTUGEGAZGKMQRB-UHFFFAOYSA-N 297.377 3.893 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C)c(OCC)c1 263643885 DQVBWZFFYWGALX-UHFFFAOYSA-N 274.364 3.600 30 20 CHED C=CC[C@@H]1N(CCN2CCCCC2)CCCC1(C)C 444773655 FHSISSPZNOBLLR-INIZCTEOSA-N 264.457 3.539 30 20 CHED C=CCSCCN[C@H](CC)c1cc(F)ccc1F 358027473 RQFDYOLEHGTWBL-CQSZACIVSA-N 271.376 3.925 30 20 CHED C=CCC[C@@H](NC(=O)CC1CCC(=O)CC1)c1ccccc1 355986688 HCPQQSGQCKCXOF-GOSISDBHSA-N 299.414 3.960 30 20 CHED CC(C)C1CCC(N[C@@H](C)CC2(C#N)CCOCC2)CC1 602573275 AREBOHDGFCCNNV-GTPINHCMSA-N 292.467 3.890 30 20 CHED C=CCCCC(=O)N1CCC(OCC2CCCCC2)CC1 530642336 ISGIRPNSQKBHJT-UHFFFAOYSA-N 293.451 3.931 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccccc1OC(F)F 268141817 IHSVOOGZWHXYSI-UHFFFAOYSA-N 295.329 3.673 30 20 CHED Cc1nc(C)c(C#N)c(SC[C@@H]2CCc3ccccc32)n1 355447620 MONYPPYROYRJOJ-AWEZNQCLSA-N 295.411 3.787 30 20 CHED C[C@H](NC(=O)NC1(C)CCCCC1)c1cccc(C#N)c1 610408174 MAOBXAUFWJJDJG-ZDUSSCGKSA-N 285.391 3.641 30 20 CHED CCCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 536638508 BWLPIGKMKLKABU-UHFFFAOYSA-N 294.398 3.979 30 20 CHED CC(C)CCN(Cc1ccc(OCC#N)cc1)C1CC1 264169350 VFDLOODTNRWLSA-UHFFFAOYSA-N 272.392 3.599 30 20 CHED CC(C)CC1(CNC(=O)N2CCC[C@](C)(C#N)C2)CCC1 612143497 XFVZOJFQSMISPQ-MRXNPFEDSA-N 291.439 3.538 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)[C@H](C)c1ccc(OC)cc1 449548002 KMPURUIVGCOTKX-JFTQMJAMSA-N 289.419 3.510 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1coc2ccccc12 359702769 HJKJIXPWDHJBJL-ZDUSSCGKSA-N 272.348 3.587 30 20 CHED CCc1ccc([C@@H](NCC2(C#N)CC2)C(C)C)cc1 538350617 MNZNIKGFEWTRSB-INIZCTEOSA-N 256.393 3.839 30 20 CHED Cc1cc([C@H](Nc2ncccc2C#N)C2CC2)ccc1F 535355605 RKGKQAUGLDVTQB-MRXNPFEDSA-N 281.334 3.964 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 456831028 SFCXYADOQZAFDL-QWHCGFSZSA-N 263.768 3.526 30 20 CHED Cc1cc(NC(=O)N(C)[C@H](C)CC#N)ccc1C1CC1 360823008 TZAXJVNCLNQCJD-GFCCVEGCSA-N 271.364 3.638 30 20 CHED N#Cc1ccc(Sc2ncnc3c2CCCC3)c(F)c1 610785872 HZUDDFRXXJKSCL-UHFFFAOYSA-N 285.347 3.517 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C 363832640 XBQXSEQTLBCKKY-WQGACYEGSA-N 290.432 3.605 30 20 CHED N#Cc1ccnc(N[C@@H](c2ccccc2)C2CCCC2)n1 450310386 XFFOJNIAUUPBBO-INIZCTEOSA-N 278.359 3.692 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)C1CC1 613238865 FNVFNDUPNVKMFI-FUHWJXTLSA-N 283.415 3.822 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc(F)cc1C#N 611541141 BUGLAOKBPDCIBD-ONGXEEELSA-N 286.272 3.865 30 20 CHED N#CCCCN1CCC(Cc2cc(F)ccc2F)CC1 451965060 LQZKKFOFEXBQTB-UHFFFAOYSA-N 278.346 3.523 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@H]1CCSC1 278461502 PAUJHMNYBSIBDR-MRXNPFEDSA-N 274.433 3.523 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 277241330 CQQUPRZMKDQWDT-OTWHNJEPSA-N 295.426 3.975 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 279432380 GSNKVULXFMPTCH-KGLIPLIRSA-N 299.422 3.571 30 20 CHED C=CCN1CCC(N[C@@H](c2ccccc2)C(F)(F)F)CC1 273370537 VRPGSRVJBVPHSG-HNNXBMFYSA-N 298.352 3.530 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 454267844 OSQIZECBUQACPV-AWEZNQCLSA-N 290.407 3.800 30 20 CHED CC(C)Oc1ccc(CN(C)C[C@@H](C)C#N)cc1Cl 275373641 LFUIWIBCSQGMPQ-LBPRGKRZSA-N 280.799 3.719 30 20 CHED CC#CCCCC(=O)Nc1ccc(O)c2ccccc12 545246869 ZIMXVPYLYQONFT-UHFFFAOYSA-N 267.328 3.678 30 20 CHED CCC1(CC)CCN(C(=O)Nc2cccc(CC#N)c2)C1 455915526 HUQWPQDCZLWOHG-UHFFFAOYSA-N 285.391 3.797 30 20 CHED C=C(C)CCNC(=O)N(C)Cc1ccc2ccccc2c1 455304748 CVEIYTXCULIVSL-UHFFFAOYSA-N 282.387 3.947 30 20 CHED N#CCCCN(c1ccc(Br)cc1)C1CC1 451665671 FDROHUFRBBLWML-UHFFFAOYSA-N 279.181 3.722 30 20 CHED N#Cc1ccnc(N2CCCc3ccccc3CC2)c1Cl 450806083 CHLNSPIZZJKKKM-UHFFFAOYSA-N 297.789 3.602 30 20 CHED CC[C@H](C)c1noc(/C=C/c2ccc(OCC#N)cc2)n1 273628856 ABEISNFYRDQNFL-LZGFCCKTSA-N 283.331 3.656 30 20 CHED C=CC[C@H]1N(Cc2nc(C)c(C)[nH]2)CCCC1(C)C 628253084 SSLRBUNODDAXFF-CQSZACIVSA-N 261.413 3.593 30 20 CHED C=CC1CCN(C(=O)Nc2cccc3cc[nH]c23)CC1 547526578 UBOOTOGABVODDQ-UHFFFAOYSA-N 269.348 3.598 30 20 CHED C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 543152868 MGRJMBXZXSIHFH-DOMZBBRYSA-N 270.376 3.862 30 20 CHED N#CCSCCCN1Cc2ccccc2C2(CCC2)C1 375640842 KXBQOLLPVJGKEC-UHFFFAOYSA-N 286.444 3.571 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCC12CCCCC2 466389637 RKOJFHDNQVZKMU-CQSZACIVSA-N 264.413 3.849 30 20 CHED C=CCCCN(CC)Cc1ccc(CN(C)C)cc1 626062017 CYHGFZRAVYSIJD-UHFFFAOYSA-N 260.425 3.536 30 20 CHED CC(C)N(CC1CCC1)C(=O)[C@H](C)c1cccc(C#N)c1 464479607 WXFWELWTBBAJJN-CQSZACIVSA-N 284.403 3.699 30 20 CHED C=C(C)CCc1noc(-c2cccc([C@H]3CCOC3)c2)n1 285000951 CZQRITFYBXMKLL-HNNXBMFYSA-N 284.359 3.749 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCCC12CCCC2)C1CC1 464540206 ZRYGRWGNVYMBDN-OAHLLOKOSA-N 276.424 3.849 30 20 CHED N#CCCN1CCC[C@H]1c1cc(F)cc(Br)c1 373349501 VBFPDILTYCHVSB-ZDUSSCGKSA-N 297.171 3.639 30 20 CHED C=CCCN(C)C(=O)c1cc2cccc(C)c2s1 289423044 MYCAYDNBFMDQHB-UHFFFAOYSA-N 259.374 3.858 30 20 CHED Cc1ccnc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)c1 554793845 XNJAJZRLVIUVGT-UHFFFAOYSA-N 296.717 3.632 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2CCC(F)(F)C2)c1 282078155 WCAIQQPSEPKYAA-NSHDSACASA-N 278.302 3.608 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H](CC)CC1 466377183 BUSQPBGFDXUFLB-UONOGXRCSA-N 252.402 3.563 30 20 CHED Cc1oc(C#N)cc1C(=O)N(Cc1cccs1)C(C)C 280772893 ORPIVOWAYVVKOR-UHFFFAOYSA-N 288.372 3.572 30 20 CHED CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)c1ccccc1 284514257 VWFMORPUWQWWLZ-SFHVURJKSA-N 292.382 3.525 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(C(C)(C)C)cs1 467852155 OXFUICSLAIJPBI-AWEZNQCLSA-N 266.410 3.981 30 20 CHED N#Cc1cccc(CN2CC[C@@](F)(c3ccccc3F)C2)c1 558865582 KDPUXZWJSQNFOT-SFHVURJKSA-N 298.336 3.768 30 20 CHED C=CCC(CC=C)C(=O)N(C)CCCOc1ccccc1 467827110 SNOVKZWDXVDDKC-UHFFFAOYSA-N 287.403 3.682 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 280343887 QHCTWQZCZSBZJN-GDBMZVCRSA-N 290.382 3.679 30 20 CHED C[C@@H](CCOc1cccc(C#N)c1)OCc1ccccc1 473675463 JHHQUWXEEXYNDI-HNNXBMFYSA-N 281.355 3.932 30 20 CHED C=CCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 470000704 SFIWVBJCIKDMPC-LLVKDONJSA-N 272.175 3.633 30 20 CHED C=CCC(C)(C)c1noc(CCO[C@@H](C)CC(C)C)n1 551139743 LBEMHLMJDVKAGC-ZDUSSCGKSA-N 280.412 3.917 30 20 CHED CC(C)CC[C@@H]1CCCCN1c1cc(C#N)ccn1 550785911 GGZAARXKBBEIGU-HNNXBMFYSA-N 257.381 3.748 30 20 CHED COc1cc(Cl)c(Cl)cc1NC(=O)CCCC#N 292845529 BJVBFXJXIPAPGX-UHFFFAOYSA-N 287.146 3.634 30 20 CHED N#C[C@@]1(C(=O)OCc2ccc3occc3c2)CC12CCCC2 297877737 UOGQBLHLEQHEDE-GOSISDBHSA-N 295.338 3.950 30 20 CHED C=CCC[C@H](O)CN(C)Cc1ccc(C(C)C)cc1 472775169 UHNXIQDCNCXYFB-KRWDZBQOSA-N 261.409 3.569 30 20 CHED N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccsc2Cl)C1 297664433 FEYNBDAXWJEZDA-IUCAKERBSA-N 283.784 3.605 30 20 CHED C=CCC[C@H](O)CN1CCCCC[C@H]1c1ccccc1 472747768 IPSGVPDHVZDNCK-ROUUACIJSA-N 273.420 3.931 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccccc2C)CC1 474203842 KZECVNIYDKHOBH-AWEZNQCLSA-N 257.377 3.919 30 20 CHED C=CCCCCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 569899622 DLTIKBGUVIXCME-AWEZNQCLSA-N 287.325 3.685 30 20 CHED C=CCC[C@H](NCC(C)(C)[C@H](O)C(C)C)c1ccco1 560544980 RVXXBUGJUHWDBB-GOEBONIOSA-N 279.424 3.920 30 20 CHED CCOc1cc(C#N)ccc1OCc1csc(Cl)n1 806585892 OIPQFKLYUWPKEK-UHFFFAOYSA-N 294.763 3.646 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)CC1 475646083 PDTQXJXIBJFNHF-OAHLLOKOSA-N 287.378 3.888 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H]1c1nc(C)no1 804905744 CZFIUNLYWIEVJF-AWEZNQCLSA-N 293.411 3.792 30 20 CHED Cc1ccc(C)c(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 294217713 KAQNATYJLUQDQG-KRWDZBQOSA-N 268.360 3.716 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)c2ccsc2)c1 800790458 LPOBVQNQTRFYPR-CYANDVJASA-N 261.346 3.642 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCSc2ccccc21 292545675 WWZLCIGNQJGIBX-ZDUSSCGKSA-N 275.417 3.942 30 20 CHED C#C[C@H](CC)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 809686206 AHWXKZPNAZKJOT-WHOHXGKFSA-N 267.825 3.895 30 20 CHED CSc1ccc([C@H](C)OC(=O)CCCC#N)cc1 291858149 UTNOLYKTRUCHKN-NSHDSACASA-N 263.362 3.707 30 20 CHED C[C@H](CN1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)(C)C 802641878 JNDHKBOZYIZCFO-RHSMWYFYSA-N 286.419 3.614 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 292672988 FYDAJWHMOUQMRU-OCCSQVGLSA-N 293.432 3.639 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1cc(C(C)(C)C)n[nH]1 562585511 VRLYYCZTCNHWOC-CYBMUJFWSA-N 296.418 3.772 30 20 CHED C=CCCCN(C)c1nnc([C@@H]2CCCS2)n1C1CC1 565134252 PNZVFQAVNQJVLS-ZDUSSCGKSA-N 292.452 3.584 30 20 CHED CCc1cccc(Cl)c1CN(CC)C[C@H](C)C#N 475585996 WHNKZYVNAVKXHB-GFCCVEGCSA-N 264.800 3.884 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Br)cc1CC 477980529 FASFMGBLBIKWDA-SECBINFHSA-N 297.196 3.708 30 20 CHED C=CCOCCCN(C)c1cccc(OC(F)(F)F)c1 470779617 NZMKXQNVGQDCNE-UHFFFAOYSA-N 289.297 3.614 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCC[C@H]1C 476814121 KETBWMJMGQSPPI-IUODEOHRSA-N 285.391 3.815 30 20 CHED C=CCCCCNC(=O)Nc1cccc(OC(F)F)c1 473680456 VIMIRGQZSNHPJM-UHFFFAOYSA-N 284.306 3.766 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(OCCC)cc1C 473973927 ABJAXJNCWFWSIS-CQSZACIVSA-N 290.407 3.548 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(C(C)(C)C)cc1 292537877 VIVNEQVEKQPFBY-UHFFFAOYSA-N 270.376 3.526 30 20 CHED Oc1ccccc1/C=N/[C@H]1C[C@H](c2ccc(F)cc2)C1 814183730 NGKUIKULWQAQPH-OWLXYCIXSA-N 269.319 3.896 30 20 CHED C=CCC(F)(F)C(=O)NCC1CCCCCCC1 815073053 DXQWBZOYKHNONN-UHFFFAOYSA-N 259.340 3.675 30 20 CHED C=CCN(C)C(=O)Nc1cc(C(F)(F)F)c(F)cc1C 640148695 UCEFYGYUBVKHTO-UHFFFAOYSA-N 290.260 3.803 30 20 CHED CC(=NNc1cncc(Cl)n1)c1nccc2ccccc12 811637916 BPCXIGMIXIICPQ-UHFFFAOYSA-N 297.749 3.514 30 20 CHED C=CCCCCCCNC(=O)c1csc(C(C)=O)c1 816661677 UVZOBVCCJGYSOF-UHFFFAOYSA-N 279.405 3.817 30 20 CHED Oc1cccc2c1CCC2=NNc1ccc(F)c(F)c1F 814946525 QAOOMZBLUHYISR-UHFFFAOYSA-N 292.260 3.572 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1cccc(Cl)n1 814939034 BUKOMJRPJUCOED-UHFFFAOYSA-N 277.730 3.905 30 20 CHED CCC(=NOCCOC(C)C)c1ccc(F)cc1F 814936876 MRVDKZQCGVEVBB-UHFFFAOYSA-N 271.307 3.521 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)/C=C/c1ccccc1C#N 814330794 OVAZOIRGDVRNNH-ZHACJKMWSA-N 284.403 3.760 30 20 CHED CC#CCCCC(=O)N(C)C1CCC(CCC)CC1 483069016 CZXQQJAUZDKPMS-UHFFFAOYSA-N 263.425 3.997 30 20 CHED CC[C@H](NCCN1CCCC[C@@H]1CC)c1ccc(C#N)cc1 573057111 ODXIZOIMEWQAPF-OALUTQOASA-N 299.462 3.863 30 20 CHED CC1(C)OCCC1=NNc1cccc2ccccc12 814823443 YGZXBWMKPCYUGE-UHFFFAOYSA-N 254.333 3.807 30 20 CHED C=CCCCCCCCNc1cc(-n2ccnc2)ncn1 811847863 HXXYPKIRVNEQAQ-UHFFFAOYSA-N 285.395 3.601 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NCc1cc(C#N)n(C)c1 480342787 ITELLOJGGLQSAK-NVXWUHKLSA-N 273.424 3.591 30 20 CHED C#Cc1ccccc1CC(=O)NCC[C@@H](C)c1ccccc1 810291897 YEPGCLGHKNBZOW-MRXNPFEDSA-N 291.394 3.520 30 20 CHED Fc1cccc(NN=C2CCc3cccnc3CC2)c1 817323785 VMKJCQZQLWPFAG-UHFFFAOYSA-N 269.323 3.568 30 20 CHED CC(Cc1ccccc1C)=NN[C@H](C)c1ccncc1 819814853 GERAAPDSCSHBKK-OAHLLOKOSA-N 267.376 3.659 30 20 CHED C=CCC[C@@H](CC)N[C@H](COC)c1cccc(OC)c1 658162230 CSFVUCSBWWZCOV-NVXWUHKLSA-N 277.408 3.717 30 20 CHED C=CCCC1(c2nc(-c3ccc(Cl)o3)no2)CC1 578368042 ZOBSDUVNFRQGMU-UHFFFAOYSA-N 264.712 3.981 30 20 CHED CCOc1ccc(NN=Cc2ccc(F)cc2)cc1 814983106 CWALWWFBJDCCIX-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C=CCCCCCCNC(=O)c1c(C)nsc1C 814130462 USUZURBJKNBRME-UHFFFAOYSA-N 266.410 3.626 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CCC#N)CC1 579586635 CHZKRVBKYCMOHW-HZPDHXFCSA-N 291.439 3.681 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc(O)c(F)c1 728438659 KKQCDCUMJIVNQR-SOFGYWHQSA-N 256.276 3.736 30 20 CHED N#CCCC1CCN(C/C=C\c2ccc(F)cc2)CC1 578508076 PZMBCAXZEAZJGT-RQOWECAXSA-N 272.367 3.855 30 20 CHED Cn1c(NN=C2CC[C@H]2C2CCC2)nc2ccccc21 814807365 REGICSKASYRTKQ-LBPRGKRZSA-N 268.364 3.551 30 20 CHED Cc1cc(C=NNc2nc(-c3ccccc3)no2)ccc1F 729144882 BLSQGNDVSJMUGW-UHFFFAOYSA-N 296.305 3.630 30 20 CHED N#Cc1csc(CNC2(c3ccccc3)CCCCC2)n1 579166993 RGYNXTKROGLJLV-UHFFFAOYSA-N 297.427 3.964 30 20 CHED CC(C)(C)Oc1ccc(NCC[C@@H]2CCOC2)cc1C#N 824722627 VCDJBYGDFWAZHI-CYBMUJFWSA-N 288.391 3.574 30 20 CHED N#CCCCCNC(=O)c1ccc2c(c1)-c1ccccc1C2 728850194 ORBBWOIWLRCIJL-UHFFFAOYSA-N 290.366 3.681 30 20 CHED Cc1cccc(N(C)C(=O)c2ccccc2SCC#N)c1 727106843 WEKKKYWNRQJLME-UHFFFAOYSA-N 296.395 3.887 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc(F)c(C#N)c1 571350293 ONSIUVFJTJQUEN-CYBMUJFWSA-N 296.345 3.805 30 20 CHED CC(=O)Nc1ccc(NC2CCC(C)(C#N)CC2)cc1C 823524294 VQPIBOYKWXEHMP-UHFFFAOYSA-N 285.391 3.838 30 20 CHED C=C(C)CNC(=O)CCc1cc(Cl)cc(Cl)c1 490051979 DRDWUZZVHZQDJP-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C=CCC(C)(C)CNC(=O)c1nsc2ccc(C)cc12 490029382 JNGSOEHVQQLMSF-UHFFFAOYSA-N 288.416 3.937 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCC[C@@H](F)C1 573812650 ADPBZIHHARYPNP-CQSZACIVSA-N 276.355 3.771 30 20 CHED C=CCC1(NC(=O)N[C@@H]2CCCC(F)(F)C2)CCCC1 664477880 OLMCPIAICTZYKA-GFCCVEGCSA-N 286.366 3.752 30 20 CHED C#CCN(C(=O)CC1(C#N)CCCCC1)C1CCCCC1 824325446 MKIKCLKFGGDPNS-UHFFFAOYSA-N 286.419 3.645 30 20 CHED CCCCCCNC(=O)Nc1cc(C#N)cn1C(C)(C)C 725853559 MUQDZKSAUPSIEQ-UHFFFAOYSA-N 290.411 3.817 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@H]1CCCC[C@H]1C 820742665 XBSZSHZJDFVXKC-IJEWVQPXSA-N 268.397 3.585 30 20 CHED CN(Cc1cc(F)ccc1C#N)Cc1cccc2[nH]ccc12 494049558 NXCIARHGVZVXLS-UHFFFAOYSA-N 293.345 3.811 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CCCOC1 727707534 AIWLDQNKWRFTAY-GJZGRUSLSA-N 269.429 3.526 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 728482157 MIZNNJBJOCXWLW-SJORKVTESA-N 281.399 3.869 30 20 CHED CS[C@@H]1CCCC(=NNc2ncccc2Cl)C1 901171051 XSKWGRKORXWIPP-SNVBAGLBSA-N 269.801 3.809 30 20 CHED C[C@@H](CSc1cccc(C#N)c1)NC(=O)OC(C)(C)C 492440344 XHWZREHXRAMNAD-NSHDSACASA-N 292.404 3.564 30 20 CHED CC[C@H](NCCCc1cccc(C)n1)c1cccc(C#N)c1 902987590 PADXTXFBNMTEMJ-IBGZPJMESA-N 293.414 3.935 30 20 CHED C[C@H]1COCC[C@@H]1Nc1ccc(OC(C)(C)C)c(C#N)c1 824722152 OFBJTUDUYCGLDR-WFASDCNBSA-N 288.391 3.572 30 20 CHED Cc1cc(C=NN=c2cc[nH]c3ccccc23)ccc1F 730147678 IEDYJZVOKZZZFH-UHFFFAOYSA-N 279.318 3.550 30 20 CHED CCCCCCCCOC(=O)c1ccn(C(C)C)n1 733588320 HKWBYLTZBDSZRB-UHFFFAOYSA-N 266.385 3.981 30 20 CHED CC[C@@H](NCc1cc(C)nc(C)c1)c1cccc(C#N)c1 903022347 ICZSRJQCVSHPQF-GOSISDBHSA-N 279.387 3.811 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCc1cc(C)cc(C)c1 495242199 HSRQBZRLGOGZMD-QGZVFWFLSA-N 286.419 3.596 30 20 CHED CC(C)[C@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 734108695 NWYPHEKEJNYTFX-SCOAYWHSSA-N 296.414 3.856 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1coc2ccccc12 908647727 KNBNXYDFPSYAAA-OAHLLOKOSA-N 297.354 3.573 30 20 CHED C=C(Br)CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C 736946557 PSFNBZCNRCMWTC-YPMHNXCESA-N 298.199 3.912 30 20 CHED CC(C)(C)C#CCOC(=O)C[C@]1(C)CC1(Cl)Cl 835391245 ZONWWXWNWYSACK-GFCCVEGCSA-N 277.191 3.553 30 20 CHED C=CCCCCCCNC(=O)NCc1ccc(C)c(C)n1 838591953 NPYUVMLDCUKYBZ-UHFFFAOYSA-N 289.423 3.634 30 20 CHED CC(=NNC(=S)Nc1ccccn1)[C@H]1CCCC[C@@H]1C 834966099 YIIURPMBWFLMQL-AAEUAGOBSA-N 290.436 3.570 30 20 CHED C=CCN(C(=O)NCC(C)(C)C(C)(C)C)C(C)C 838601936 NJOQSCRDDZLOFU-UHFFFAOYSA-N 254.418 3.665 30 20 CHED COCC#CCN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 677818944 YTKYVLQIZDBBME-NSHDSACASA-N 286.202 3.636 30 20 CHED CC(C)Oc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839040994 CCORKMYRSHFHGU-CJNGLKHVSA-N 287.359 3.713 30 20 CHED Cc1ccc(C2(C(=O)OCCC(C)(C)C#N)CCC2)cc1 830329788 HJSDLDNPOULKJU-UHFFFAOYSA-N 285.387 3.900 30 20 CHED N#C[C@@H](CCc1ccccc1)c1nc(-c2ccccc2)no1 904239038 ISOPXQHFEPKFKV-MRXNPFEDSA-N 289.338 3.977 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCC2)CC1 586783046 OOZCFJBTDSTJEU-AWEZNQCLSA-N 254.377 3.885 30 20 CHED CCC(CC)N(CC)C(=O)c1ccc(C#N)c(Cl)c1 589097468 HFOVLKUMCVXMJZ-UHFFFAOYSA-N 278.783 3.862 30 20 CHED CC(C)COc1ccccc1/C=C1/CCn2ccnc2C1=O 901537129 SLNFZSWOZMNDLR-PTNGSMBKSA-N 296.370 3.588 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C)CC1 584319790 OVLOJUWUMPYFHP-HNNXBMFYSA-N 296.418 3.758 30 20 CHED N#CCc1cccc(C(=O)OC[C@@H]2CCc3ccccc32)c1 730926107 DPXULGXRLWDNHW-KRWDZBQOSA-N 291.350 3.639 30 20 CHED CCCCCCCCCNC(=O)N1CCC(COC)CC1 732883419 SOINEAJKJICJRQ-UHFFFAOYSA-N 298.471 3.805 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 736400563 YJTPPHRLSRGODS-XQLPTFJDSA-N 296.842 3.739 30 20 CHED C=C(C)CNc1ccccc1NC(=O)C[C@H]1C=CCC1 730440067 HCCDDKZPOLTNDQ-AWEZNQCLSA-N 270.376 3.969 30 20 CHED Cc1nc(-c2ccccc2)sc1NC(=O)C#CC(C)C 832032602 HTAVJZGHSSGPDW-UHFFFAOYSA-N 284.384 3.716 30 20 CHED CN(C)c1ccc(C=NNc2cc(F)c(F)cc2F)cc1 734302671 JIJRQUYBUFIVHG-UHFFFAOYSA-N 293.292 3.616 30 20 CHED CC(C)(C(=O)O)c1ccc(N=Cc2ccccc2O)cc1 736230924 VWSBSOOURUHUTH-UHFFFAOYSA-N 283.327 3.505 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2sccc2C#N)cc1C 598801563 YPTLCNWGIVJGFZ-LSDHHAIUSA-N 296.395 3.979 30 20 CHED C[C@@H]1CC(=NNc2cccc(C(F)(F)F)c2)c2nccn21 834916695 HZLFEGGCYFEUQI-SECBINFHSA-N 294.280 3.683 30 20 CHED C[C@H](CC(=O)OCC1(CC#N)CC1)c1ccc(F)cc1 744275430 GDUAZBJGXSDXNW-GFCCVEGCSA-N 275.323 3.556 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(OC(F)F)cc1 837329017 JJUCLXVVAREVGF-LLVKDONJSA-N 295.329 3.515 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 741845929 ZMIVMBLZINHKSU-XRWQQLTGSA-N 273.376 3.789 30 20 CHED CCc1ccccc1C/N=C/c1c(O)cccc1OC 740616850 VIDARQWGSFLZRJ-LDADJPATSA-N 269.344 3.582 30 20 CHED CCN(Cc1cccc(Cl)c1Cl)[C@H](C)C#N 595820099 JIYHKSVHPTXRKV-SECBINFHSA-N 257.164 3.727 30 20 CHED O=C(OCCC#Cc1ccccc1)c1cccc2cc[nH]c12 744189112 OINLNQYBPWJXFK-UHFFFAOYSA-N 289.334 3.767 30 20 CHED C#C[C@@H](OC(=O)[C@@H](CC)CC(F)(F)F)c1ccccc1 842392349 OBKVIONAMACQKE-WCQYABFASA-N 284.277 3.883 30 20 CHED C=C(C)CCOC(=O)c1cc2cc(Cl)ccc2[nH]1 744304217 QLLVMTHLJVTHQO-UHFFFAOYSA-N 263.724 3.944 30 20 CHED C=C(CNC(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1 672482702 FWMOOXHYIZULNT-OAHLLOKOSA-N 257.377 3.642 30 20 CHED COc1ccc(C(=O)/C=C\c2ccnn2CC(C)C)c(C)c1 843271763 FGXWQKBOCFZTEZ-YVMONPNESA-N 298.386 3.752 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C(F)=C1CCCC1 841369209 XJSPMWXIFKDITD-MRXNPFEDSA-N 298.361 3.849 30 20 CHED C=CCC[C@@H](C(=O)N1Cc2ccncc2C1)c1ccccc1 848382443 SDOLQBXXQGSHMV-GOSISDBHSA-N 292.382 3.674 30 20 CHED Cc1cc(C)c(NN=Cc2ccc(C#N)s2)c(C)c1 748788816 JVOWHEYXXJRTOQ-UHFFFAOYSA-N 269.373 3.991 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@@H]2CCCC[C@@H]21 595565246 DGUQMZLCCYCFHO-RDJZCZTQSA-N 268.404 3.862 30 20 CHED Cc1cccc(Cl)c1CON=C1CCCOCC1 842039885 SVAYAVITRSECCF-UHFFFAOYSA-N 267.756 3.722 30 20 CHED CCCCCCCCNC(=N)Nc1ccc(OC)cc1 848991760 ARNALRUVVUJIGW-UHFFFAOYSA-N 277.412 3.992 30 20 CHED CCn1ccnc1[C@@H](C)Nc1nc(C(C)(C)C)ccc1C#N 590723760 FLNRPLQVPOTFKJ-GFCCVEGCSA-N 297.406 3.640 30 20 CHED O=C1/C(=C2\COc3ccc(F)cc32)CCc2c(O)cccc21 742435192 RELJDWZWGVIBND-FYWRMAATSA-N 296.297 3.506 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 747633532 SBIIUPLRDXSUTA-UHFFFAOYSA-N 267.716 3.836 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)/C=C/C1CCCC1 843609540 YTIGNAGQALQVFP-CKDFRHGISA-N 294.398 3.798 30 20 CHED CN(C)Cc1cccc(-c2ccc(CC#N)s2)c1 592986345 GMMJBSQTJRCBOM-UHFFFAOYSA-N 256.374 3.543 30 20 CHED C=C(C)CCOC(=O)Cc1cccc(Br)c1 744303550 HJYWLRSLJZSCJY-UHFFFAOYSA-N 283.165 3.501 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 597994182 GTEKGLMLZKUCIV-OAHLLOKOSA-N 296.414 3.916 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(OC)c(O)c1 743450772 QCJKGVMVDPRGJW-CYBMUJFWSA-N 278.396 3.683 30 20 CHED CCc1nocc1COc1ccc(C(F)(F)F)c(C#N)c1 594487095 DHDQPRGJPYCKEV-UHFFFAOYSA-N 296.248 3.706 30 20 CHED Cc1ccc2c(C(=O)N(C3CC3)[C@@H](C)C#N)csc2c1 598137698 MMHQQUSBSZVNKQ-NSHDSACASA-N 284.384 3.726 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1coc2ccccc12 747705758 QNHBPDIKEMAAER-FPLPWBNLSA-N 266.300 3.669 30 20 CHED CN(Cc1ccsc1)c1cc(Cl)ccc1C#N 62789907 UKMHZDZPAWOKQY-UHFFFAOYSA-N 262.765 3.910 30 20 CHED CC(C)c1ccc(CN(C)Cc2ccc(C#N)cn2)cc1 593942436 IJUPCYYRVHCYRW-UHFFFAOYSA-N 279.387 3.709 30 20 CHED C=C(C)CONC(=O)C[C@@H](CC)c1ccc(C)cc1 846536803 AUQBESQLTPAPJE-CQSZACIVSA-N 261.365 3.503 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C2CCc3ccccc32)o1 746497872 FEDULECXMODMQP-UHFFFAOYSA-N 294.358 3.606 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CCc2c(O)cccc21 742435718 XHKOTCAFJYGULX-XFXZXTDPSA-N 295.294 3.513 30 20 CHED C=CCC[C@@H](CC)N[C@H](C)c1cc(OC)ccc1O 845972490 QXYNCYXAHPDDPW-CHWSQXEVSA-N 263.381 3.796 30 20 CHED C=C[C@H](C)ONC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 846548449 OBMASSXSCJTIGQ-OWCLPIDISA-N 297.439 3.764 30 20 CHED CSCCCS[C@@H](C#N)Cc1ccccc1 591129943 VTIUPIRUKLWZJG-CYBMUJFWSA-N 251.420 3.608 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1F 590632017 PPZINALHMWSWJA-UKRRQHHQSA-N 288.366 3.530 30 20 CHED CCn1cc(C(C)=NNc2cccc3c2CCCC3)cn1 920988214 FNLYJTXTFFSNAB-UHFFFAOYSA-N 282.391 3.618 30 20 CHED Cc1ccc(OCCSCC2(CC#N)CC2)cc1 849871589 JPZPFODMUUBYSY-UHFFFAOYSA-N 261.390 3.801 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](CCC)c1ccccn1 683831472 ZOMVFIWSWMBDPM-HOCLYGCPSA-N 287.407 3.673 30 20 CHED Cc1cccc(OCCCNCC(C)(C)CCC#N)c1 742366787 RQOPHTXTXIOYDR-UHFFFAOYSA-N 274.408 3.684 30 20 CHED CC#CCCCC(=O)Oc1ccc(Cl)c(F)c1F 841315298 FHLGDRGUSLUWLU-UHFFFAOYSA-N 272.678 3.717 30 20 CHED C=C(CC)CNC(=S)Nc1ccc(OC(F)F)cc1 840826098 HLWMQCOLRXOQNQ-UHFFFAOYSA-N 286.347 3.541 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccc(C)c1)C2 747441182 SUVQZQXSLFACAD-DHDCSXOGSA-N 264.324 3.826 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccc(-c2ccc(Cl)s2)nn1 848415387 TUHIHSWCNKMUIB-BDAKNGLRSA-N 292.795 3.912 30 20 CHED CC(C)C[C@@H](C)OC(=O)Oc1cccc(OCC#N)c1 841566703 OQIZEEXXNBLNAX-GFCCVEGCSA-N 277.320 3.539 30 20 CHED C#CC[C@H](Nc1snc(Cl)c1C#N)c1ccccc1 756954468 ZPQCGYUNPFURBG-LBPRGKRZSA-N 287.775 3.845 30 20 CHED Cc1cc(C)c(NC(=O)N2CCC[C@H](C#N)C2)c(Cl)c1 929256106 YHTDUGZDTGCOKY-GFCCVEGCSA-N 291.782 3.724 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1cccc(C2CC2)c1 851204461 ABHJOFZVCNZZJQ-ZDUSSCGKSA-N 285.387 3.978 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@]1(C)CCc2ccccc21 851204764 CXOXXWZTQVEEBP-UGSOOPFHSA-N 285.387 3.762 30 20 CHED C=CC[C@@H](N[C@H](C)c1cccc2c1OCO2)c1ccncc1 925075537 PQKYMYLKIMMFLB-CZUORRHYSA-N 296.370 3.778 30 20 CHED C=C(C)[C@H](CC(=O)Oc1c(C)ccc(C)c1C)OCC 756486255 LCVQEARRGKOFBQ-HNNXBMFYSA-N 276.376 3.889 30 20 CHED FC(F)(F)c1csc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)n1 755770902 PODMLQXARUBEHV-CIUDSAMLSA-N 287.310 3.772 30 20 CHED N#Cc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1 921263948 LRVHAHVEABXASK-MDWZMJQESA-N 263.271 3.520 30 20 CHED C=C(C)[C@H](CC(=O)N1Cc2ccccc2[C@@H](C)C1)OCC 755423032 DBGGAIBBXXHBCL-YOEHRIQHSA-N 287.403 3.504 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)c1ccc(C)s1 920175521 WQUNNLHYWPSGLS-RCEBRVLHSA-N 275.373 3.951 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1 855743117 WNSHCTZBXRZONA-OAHLLOKOSA-N 291.366 3.854 30 20 CHED C=CCNC(=S)Nc1ccc(CCC(F)(F)F)cc1 753161891 RVCTUMYOROOZIA-UHFFFAOYSA-N 288.338 3.654 30 20 CHED Cc1ccnc(NN=C(Cc2ccccc2)C2CC2)c1 755901296 UGEVLDXJQBIDGG-UHFFFAOYSA-N 265.360 3.811 30 20 CHED CCCCCCCCNC(=O)c1cnc(C)s1 754852601 CANHKHKGLRRKHT-UHFFFAOYSA-N 254.399 3.542 30 20 CHED CCn1ncc2ccc(N[C@H](C)CC(C)(C)C#N)cc21 926066420 MJNCPHYUXVHRCB-GFCCVEGCSA-N 270.380 3.796 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@H](CCC)C1)c1ccccc1 757058793 IWUCPRYHRNBCQC-FUHWJXTLSA-N 298.430 3.973 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2nc(Cl)sc2C)C1 855436780 KNEWJAQCIIMTQA-JTQLQIEISA-N 284.812 3.533 30 20 CHED CCCC(CCC)C(=O)OCc1ccc(F)c(C#N)c1 753441191 ZUJYKISUHFCFTI-UHFFFAOYSA-N 277.339 3.957 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1cccc(C)c1)OCC 756562940 RXMXWCBLGGMBCW-HOCLYGCPSA-N 276.376 3.971 30 20 CHED CC(C)Oc1ccccc1C=NOCCOc1ccccc1 852289214 LJXQWSABMXJTHS-UHFFFAOYSA-N 299.370 3.903 30 20 CHED CC(C)CN(CCC#N)C(=O)Cc1ccc2c(c1)CCCC2 920445607 LFVHKVOBKQBLBC-UHFFFAOYSA-N 298.430 3.506 30 20 CHED Cc1cc([C@H](C#N)C(=O)[C@H](C)CCC(C)(C)C)nc(C)n1 755600218 RKMJCLJEHXQPLL-RISCZKNCSA-N 287.407 3.732 30 20 CHED C=CC[C@H](N[C@@H]1CS[C@@H](C(C)C)C1)c1ccncc1 754124226 UHDUTAOZGGKGQZ-HRCADAONSA-N 276.449 3.819 30 20 CHED CC(=NNc1ncc(Cl)cn1)C1CCC(F)(F)CC1 857221180 WRTSOSNCFNOFCC-UHFFFAOYSA-N 288.729 3.743 30 20 CHED Cc1ccc(/C=C2/CCc3scnc3C2=O)cc1C 863196348 GIUHUSLFWUMDMY-JYRVWZFOSA-N 269.369 3.972 30 20 CHED Fc1cccc(C=NOCc2ncccc2C(F)(F)F)c1 762190032 VAMFPLGSWUNOHZ-UHFFFAOYSA-N 298.239 3.790 30 20 CHED C#CCN(C(=O)N[C@@H](C)CC(C)(C)c1ccccc1)C1CC1 764692898 POAABULYWCKELX-HNNXBMFYSA-N 298.430 3.550 30 20 CHED C#CCOc1ccccc1CN(C)[C@@H](C)c1cccs1 768417430 OKESKCLSXGFGQK-AWEZNQCLSA-N 285.412 3.953 30 20 CHED O=C1/C(=C\c2cccnc2)[C@@H]2CCCc3cccc1c32 763290919 SRLNLMWGXGWINX-FBKCMUNRSA-N 261.324 3.781 30 20 CHED CC(C)c1ccc2c(c1)C(=NNC[C@@H](C)C#N)CCC2 760246556 LLROFTALDHSGRY-ZDUSSCGKSA-N 269.392 3.600 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ccccc1 767015358 JETISZVSASCEBC-UHFFFAOYSA-N 254.333 3.840 30 20 CHED CCC(=NNc1ccc(C(=O)O)cn1)C1CCCCC1 763368021 IRDNIBHBORYIOS-UHFFFAOYSA-N 275.352 3.538 30 20 CHED FC(F)(F)CON=Cc1csc(-c2ccsc2)n1 764847456 QTICYINROMQJRK-UHFFFAOYSA-N 292.307 3.784 30 20 CHED CC#CCCCC(=O)OCc1cc2c(C)cccc2[nH]1 767993743 KZEUYNZYHKQVBY-UHFFFAOYSA-N 269.344 3.713 30 20 CHED CC(Cc1ccncc1)=NNc1cc(C)cc(C)c1 767760494 YHLFJCDBSVNNNI-UHFFFAOYSA-N 253.349 3.729 30 20 CHED CCCCCCSCC(=O)Nc1cccc(C#N)c1 767877267 UYKPMFUDGWOZJC-UHFFFAOYSA-N 276.405 3.810 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 878039659 BGOBYXCGFCAJII-UHFFFAOYSA-N 286.375 3.576 30 20 CHED C=CC[C@@H]1N(C(=O)c2csc(C#N)c2)CCCC1(C)C 1117757984 FTZFPCIWCFJZEZ-AWEZNQCLSA-N 288.416 3.827 30 20 CHED CC#CCCCc1nnc(-c2ccc(Cl)cc2F)o1 1118434800 KPPKETXECSYYBV-UHFFFAOYSA-N 278.714 3.875 30 20 CHED C#CC[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1 775399423 RFMSARCUUFSQCP-GOSISDBHSA-N 278.330 3.552 30 20 CHED C#CCCCCc1nc(Cc2cccc(Cl)c2)no1 773179840 BIJMPIGZPCJNBG-UHFFFAOYSA-N 274.751 3.660 30 20 CHED CCCCC[C@H](CC)C(=O)Nc1cc(C)n(CCC#N)n1 775793277 ZQWSUOIBHZAJNL-AWEZNQCLSA-N 290.411 3.650 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1CNCC(C)(C)CCC#N 873126478 HTHJNWZDIRIQCS-UHFFFAOYSA-N 289.379 3.631 30 20 CHED C[C@@H](NC(=O)c1csc(C#N)c1)c1cccc(C2CC2)c1 1117947529 STBNRAQRXGYBMQ-LLVKDONJSA-N 296.395 3.988 30 20 CHED N#Cc1cc(C(=O)OC2CCCCC2)ccc1Cl 775611787 ZHJWJTALBAWJHJ-UHFFFAOYSA-N 263.724 3.701 30 20 CHED Cc1ccc(C2=CCN(CC3(CC#N)CC3)CC2)cc1 877910377 UFUNMYKEXUKJQD-UHFFFAOYSA-N 266.388 3.778 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 878417858 GSSNTUPCTWELQW-GOEBONIOSA-N 287.403 3.577 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)o1 770572795 SOUGGABTBDOVDG-QPJJXVBHSA-N 269.275 3.749 30 20 CHED CC#CCCNC(=O)Nc1cccc(SC(F)F)c1 779353938 DYQSVBSCFBSJRN-UHFFFAOYSA-N 284.331 3.536 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccc(C#N)c(Cl)c2)C1 777776421 PUJJDOJXHXSYMX-SKDRFNHKSA-N 263.724 3.557 30 20 CHED C=CCOc1cccnc1C(=O)OCc1cc(C)ccc1C 775111529 ACFFUYRETCHLJU-UHFFFAOYSA-N 297.354 3.620 30 20 CHED C#CCCCNC1(c2c(Cl)cccc2Cl)CC1 775553299 NXSLGBWPLBOHHI-UHFFFAOYSA-N 268.187 3.986 30 20 CHED CC(C)(C#N)CCOC(=O)CCCSC(C)(C)C 776398858 PJBGNBVDECUPIE-UHFFFAOYSA-N 271.426 3.781 30 20 CHED C/C(=C/C(=O)OCC(C)(C)CCC#N)c1ccco1 1122881570 AYZGUSDKQUJJMW-BENRWUELSA-N 261.321 3.556 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 779832421 MSYOPBITCVXOJP-OVYGPGRDSA-N 273.420 3.511 30 20 CHED N#C[C@H](OC(=O)c1ccc(Cl)cc1)C1CCCCC1 776360858 YRTAAJQOUMXBJA-AWEZNQCLSA-N 277.751 3.969 30 20 CHED CC(=C/c1ccccc1)/C=C1\C(=O)Nc2cc(C#N)ccc21 773160415 LRLDBLOGPXZVIX-FNIQPLQKSA-N 286.334 3.997 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)C1C(C)(C)C1(C)C 772958469 HAIVNBABLIFINH-CYBMUJFWSA-N 286.419 3.749 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(CF)cc1 777532432 SXDHAPKRZLXWCA-UHFFFAOYSA-N 271.291 3.615 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 779832423 MSYOPBITCVXOJP-UHDSXZAQSA-N 273.420 3.511 30 20 CHED C#CCCCCCC(=O)N(C)[C@H]1CC[C@@H](SCC)C1 779968619 WCHLJBRVQILJEV-LSDHHAIUSA-N 281.465 3.703 30 20 CHED Cc1cscc1C(=O)O[C@H](C#N)C1CCCCC1 776393255 DDLWXEJTHDXPFA-CYBMUJFWSA-N 263.362 3.686 30 20 CHED C[C@H](C#N)CNN=C1CCCc2c1sc1ccccc21 771100666 VHLPWJQAPGMDLS-LLVKDONJSA-N 283.400 3.691 30 20 CHED C=CCCC[C@H](C)NC(=O)C(F)(F)c1ccc(F)cc1 776016295 MTYOLDULVZIZNT-NSHDSACASA-N 285.309 3.779 30 20 CHED CCC(=O)N(C)c1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 883314869 RBILQDXBPRCFGP-ZFWWWQNUSA-N 285.391 3.554 30 20 CHED N#CCCCCOC(=O)Cc1cccc(Cl)c1Cl 789247382 BWFGQTWTGTUOEQ-UHFFFAOYSA-N 286.158 3.773 30 20 CHED Cc1cc(COC(=O)/C=C/c2ccccc2)ccc1C#N 782023411 IUMSZEPWSXIOIG-CSKARUKUSA-N 277.323 3.623 30 20 CHED C#CCCCCCC(=O)Nc1cn(-c2ccccc2)nc1C 781168929 UFHWBYCDSJYDAJ-UHFFFAOYSA-N 295.386 3.703 30 20 CHED C/C=C(\CC)C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1123347036 QSTHBOWQDAVOHF-RZCNENHTSA-N 287.750 3.749 30 20 CHED N#Cc1ccc(OCCc2ccccc2F)c(Cl)c1 1458873176 JHLHVYFQUZBFPL-UHFFFAOYSA-N 275.710 3.972 30 20 CHED COc1ccc(NN=C[C@@H](C)CCc2ccccc2)nc1 780277140 VUVYNECZYYWXTF-AWEZNQCLSA-N 283.375 3.757 30 20 CHED CCCc1ccc(C(=O)N(C)c2snc(C)c2C#N)cc1 891433317 LPMKXATXLGGQOS-UHFFFAOYSA-N 299.399 3.552 30 20 CHED CCC(=NNc1c(C)cccc1CC)c1cn[nH]c1 789062654 PUWGSGDZKQPZRE-UHFFFAOYSA-N 256.353 3.507 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)OCCCC(C)(C)C#N 784811209 XWUWKHWKQNNYDZ-SWLSCSKDSA-N 251.370 3.542 30 20 CHED CCCC(=NNc1cccc(OC)n1)c1ccsc1 785462003 QVBPKISLONFTHV-UHFFFAOYSA-N 275.377 3.768 30 20 CHED COc1ccccc1[S@](=O)CCCCC1(C#N)CCC1 899277680 OQJRSOCYSAVPQQ-HXUWFJFHSA-N 291.416 3.667 30 20 CHED Cc1cc(C=NNCC2(C)CCCC2)cnc1Cl 793082429 XXTUKAVPLZLEJP-UHFFFAOYSA-N 265.788 3.547 30 20 CHED C=CCOCCOC(=O)C[C@H](c1ccccc1)C(C)C 797310046 PPVDWPKLMCGRIK-INIZCTEOSA-N 276.376 3.562 30 20 CHED CCc1cc(C(=O)Nc2ccc(C#N)cc2)sc1C 15597247 PAMDWNJSVFIASQ-UHFFFAOYSA-N 270.357 3.743 30 20 CHED Cc1cccc(Cl)c1OC(=O)c1cc(C#N)oc1C 798213000 HLTAIBQXWOLXLL-UHFFFAOYSA-N 275.691 3.641 30 20 CHED CCCCCC[C@@H](C)NN=C1CCC12CCOCC2 799881906 VHNYFPFEQSBMIW-CQSZACIVSA-N 266.429 3.882 30 20 CHED C#CCCCCNC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 792604739 YMWTVDWXRKAKAA-HOTGVXAUSA-N 283.415 3.896 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccsc2)c1 790306321 QDGNQDLEIKUYGS-UHFFFAOYSA-N 258.371 3.538 30 20 CHED C[C@H](OC(=O)CCCOC(C)(C)C)c1ccc(C#N)cc1 797101343 SZYCMPGNTJGEMU-ZDUSSCGKSA-N 289.375 3.758 30 20 CHED CCCCCCCCCC(=O)N[C@]1(CC)CCOC1 791415205 HBXMHHDHHYVTKN-MRXNPFEDSA-N 269.429 3.812 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H](F)CC1CCCCC1 796517352 RXNIUWXAVUUIOS-AWEZNQCLSA-N 274.339 3.805 30 20 CHED COC(=O)c1ccccc1NN=C[C@@H](C)CC(C)C 799112791 ZXPYLDGRQPRELF-LBPRGKRZSA-N 262.353 3.553 30 20 CHED CC[C@H](C)CON=C(C)c1c(C)nn(C(C)C)c1C 793143955 AUAMWQCIDJQKRZ-NSHDSACASA-N 265.401 3.868 30 20 CHED Oc1ccc2c(c1)C(=NNc1cccc(Cl)n1)CCC2 793173844 FMMXQNZYEXRKCA-UHFFFAOYSA-N 287.750 3.593 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H](O)c1ccccc1F 793520239 FDRGGWLFASHTTQ-PBHICJAKSA-N 279.399 3.974 30 20 CHED C[C@@H]1CC(=NNc2ncncc2F)C[C@@H](c2ccccc2)C1 793210086 FMGZFWVZJBDSCF-JSGCOSHPSA-N 298.365 3.987 30 20 CHED O=C(/C=C/c1ccc(C(F)F)cc1)c1ccncc1 794928552 YARNDFBHVCVTPH-ZZXKWVIFSA-N 259.255 3.915 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2c(C)noc2C)c(O)c1 799896798 ZFKOKJBLKVLRJE-WAYWQWQTSA-N 271.316 3.510 30 20 CHED CC(C)(CCC#N)COC(=O)[C@@H]1CCC(=O)c2ccccc21 793326341 XLILGGWYBZJNRR-OAHLLOKOSA-N 299.370 3.620 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1C#N 799300784 LFBVHPHCNOEOAO-GOSISDBHSA-N 290.366 3.844 30 20 CHED C=CCC1(C(=O)OCc2ccc(-n3ccnc3)cc2)CCC1 791562798 OXZOCZRGDYFYQP-UHFFFAOYSA-N 296.370 3.662 30 20 CHED CSC(C)(C)CNc1c(C#N)cnc2ccccc12 135362197 GGBMUIPBUYODRC-UHFFFAOYSA-N 271.389 3.660 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 393755547 HOCNOVJYNQLJMC-ZNMIVQPWSA-N 296.455 3.767 30 20 CHED CSCCCCCNc1snc(Cl)c1C#N 274779612 OTZCEXNMLWEHQH-UHFFFAOYSA-N 275.830 3.613 30 20 CHED C=C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 513483807 GCZYJAUHIAVPDY-UHFFFAOYSA-N 271.282 3.737 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2C)C1 186245826 BGEONLXZMFUVHQ-IRXDYDNUSA-N 288.460 3.973 30 20 CHED C[C@H]1CCc2nc(C=NNc3cccc(C#N)c3)sc2C1 1327652622 NUGFJPRCQXPFAA-NSHDSACASA-N 296.399 3.586 30 20 CHED C[C@@H]1c2cccn2CCN1CCCCC(C)(C)C#N 278156995 OYANOJVVRFNWFN-CQSZACIVSA-N 259.397 3.585 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(Cl)cc2)c1 730978134 JVCDZLIBVFIKOP-UHFFFAOYSA-N 285.730 3.604 30 20 CHED C=C[C@H](COC)N[C@@H]1CCCc2ccc(SC)cc21 1328399776 JVZQBBPHLAVSII-CZUORRHYSA-N 277.433 3.577 30 20 CHED C[C@H](CCNC(=O)CC#Cc1ccccc1)c1ccccc1 1322565354 PPTDQHVQULQFCT-QGZVFWFLSA-N 291.394 3.738 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccnc2N(C)C)s1 1323086328 DTBRRWHBKFWJSY-VQHVLOKHSA-N 286.400 3.668 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc(C)c1C 189904891 WMIGXBKSIKPKOC-UHFFFAOYSA-N 272.392 3.848 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2c(C#N)cccc2C#N)o1 1322008414 ZBDWGSXXPMQZPH-ABAIWWIYSA-N 277.327 3.758 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cscn1 1323256029 NZJDQFGFECYUSJ-UHFFFAOYSA-N 265.769 3.941 30 20 CHED Cc1cc(C)c(CN(CC#N)C2CCCC2)c(C)c1 80214982 QZKMPTFOCOLABR-UHFFFAOYSA-N 256.393 3.880 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CC=CC1 595336507 ZKGZMIOOLLFQIJ-QZTJIDSGSA-N 266.388 3.724 30 20 CHED CCc1cc(Nc2snc(C)c2C#N)ccc1F 690138495 OHUSIJOEGABVSK-UHFFFAOYSA-N 261.325 3.768 30 20 CHED CCOc1ccc2ccccc2c1C(=O)N(C)[C@H](C)CC#N 1338415651 WCZFYIXIIXJXMG-CYBMUJFWSA-N 296.370 3.613 30 20 CHED C=C[C@H](COC)NC(=O)[C@H](CCC)c1cccc(Cl)c1 1335169575 JCQWQUWVYYEZCE-HUUCEWRRSA-N 295.810 3.541 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 91437151 KYXUYIQCZMGMNI-WDEREUQCSA-N 269.348 3.575 30 20 CHED CCc1cccc(C)c1NC(=O)c1cc(C#N)ccc1C 1347996573 LTNGOECHVQPQHY-UHFFFAOYSA-N 278.355 3.990 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@@H](C)Oc2ccccc21 1191057838 MPCRNTQHMIKSGC-CQSZACIVSA-N 278.355 3.654 30 20 CHED N#CC[C@H](C(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1ccccc1 1265556805 JMMFCZDAXUEVCD-OKZBNKHCSA-N 296.414 3.769 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)Cc1ccccc1CC#N 1344378369 IMTWHCCMUMIAMU-IBGZPJMESA-N 298.430 3.722 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 1262623025 OQQGVRYFAGISDD-IBGZPJMESA-N 294.398 3.952 30 20 CHED Cc1c(Cl)cccc1C(=O)[C@@H](C#N)c1cccc(F)n1 1343347956 BMVIMIUYNCYTJD-NSHDSACASA-N 288.709 3.673 30 20 CHED C#CCCCCCC(=O)N(C)Cc1cc(F)cc(F)c1 1343753830 SLRCTEBVMFHKQA-UHFFFAOYSA-N 279.330 3.507 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C)nc1Cl 1350157959 PJKUPZSCFZRPLL-SNVBAGLBSA-N 267.760 3.520 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1cc(C#N)ccc1C)C1CC1 1359988178 VZFXUHIGPXWFOS-OCCSQVGLSA-N 284.403 3.906 30 20 CHED C=C(C)Cn1c(N2CCC(CC)CC2)nnc1C(C)(F)F 1515241495 FLAKLFFEGIGDOU-UHFFFAOYSA-N 298.381 3.592 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(-c3ccon3)cc2)cs1 1289178173 AZEYCQWJHPLLEE-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=C[C@H](C(=O)N[C@]1(C)CC=CCC1)c1ccccc1 1528493387 TYRBDFFNKYZQLT-DOTOQJQBSA-N 255.361 3.571 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cccc(C#N)c1 1528904519 XJKKIDSFRJBBGP-ZTFGCOKTSA-N 298.430 3.996 30 20 CHED CC(C)(C)c1cccc(C(=O)Nc2ccc(C#N)cn2)c1 1529972266 WGNRNTKQQKNRQU-UHFFFAOYSA-N 279.343 3.503 30 20 CHED CC/C=C(/C)C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1520067897 AFFLFFLITGVXBZ-BSKOKIOFSA-N 287.750 3.749 30 20 CHED C[C@]1(C(=O)Nc2ccc(C#N)c(F)c2)CCc2ccccc21 1527515367 IUKSALABXICTFV-SFHVURJKSA-N 294.329 3.540 30 20 CHED CC[C@H]1CCC[C@@H]1CNCc1ccc(C#N)c(F)c1 1462275448 YWVZLRZEZQZPSS-DZGCQCFKSA-N 260.356 3.613 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2CCC[C@H]21 1539776199 XAUINDPSYSHXSG-KGYLQXTDSA-N 294.830 3.533 30 20 CHED O=C(O)c1ccc(Cl)c(C=NOCc2ccccc2)c1 1602358294 RDGFYRPRBBPTNH-UHFFFAOYSA-N 289.718 3.589 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)Nc1cccc(C#N)n1 1537420914 OITKZVZLBPXXEJ-AWEZNQCLSA-N 285.391 3.888 30 20 CHED N#Cc1cc(F)cc(NC(=O)C[C@H]2CCc3ccccc32)c1 1535145864 MUZUNFWLQIPVRI-CQSZACIVSA-N 294.329 3.756 30 20 CHED Cc1cc(C)c(/C=C/CN2CCC(C#N)CC2)c(C)c1 1474336162 UWICLDLWDNCBTQ-SNAWJCMRSA-N 268.404 3.861 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCCC[C@@H]1C 1616421829 PNAISKOHAUUPTP-GOEBONIOSA-N 278.440 3.991 30 20 CHED CCC[C@H](C)[C@H]1CCCN1Cc1cc(C#N)ccc1OC 1559647538 JYADYDDMMNTUBP-WMLDXEAASA-N 286.419 3.967 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)NC[C@H](C)C#N 1634156017 OUATWXYYAIUDBF-CABCVRRESA-N 281.444 3.784 30 20 CHED C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1cc2ccccc2o1 1632510699 KLSVIZQWSVMYAE-ACJLOTCBSA-N 296.370 3.689 30 20 CHED C=C(CNCc1ccc2cc[nH]c2c1)c1ccccc1 1656350548 HSRXXCZGVPVPAL-UHFFFAOYSA-N 262.356 3.971 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1cncc(C#N)n1)CCC2 1650937390 QBHRXBSZGGMBPO-QGZVFWFLSA-N 292.386 3.961 30 20 CHED N#Cc1cnc(N[C@H]2CCc3c(Cl)cccc32)c(F)c1 1655021757 XWEMOGLZYJDHMN-AWEZNQCLSA-N 287.725 3.845 30 20 CHED CC(C)(C)[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 1658420522 XTIYXQSWZCRSDQ-KRWDZBQOSA-N 270.420 3.859 30 20 CHED C[C@H]1CC[C@H](Nc2nccc(Oc3cccc(C#N)c3)n2)C1 1655855993 GIRIINXTGWSVMO-JSGCOSHPSA-N 294.358 3.741 30 20 CHED Cc1[nH]nc(NCc2cc(Cl)ccc2Cl)c1C#N 1651184210 ZLLQWCZYZPQNOD-UHFFFAOYSA-N 281.146 3.509 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cc(C#N)ccc1F 1672121228 GXTVKHJJCZQABU-QWRGUYRKSA-N 277.343 3.644 30 20 CHED CC(C)C1CCC(NC(=O)Nc2sccc2C#N)CC1 1671449570 LLIUKJKDMZCAQE-UHFFFAOYSA-N 291.420 3.956 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1ncc(C)s1 1776786699 CQXRFTOGGUUMOW-CYBMUJFWSA-N 298.452 3.745 30 20 CHED CCCCCCCC(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 161728135 KKJGAVAJSRSDLU-DOTOQJQBSA-N 291.435 3.975 30 20 CHED CC(C)c1ccc([C@@H](NC(=O)CC#N)C(C)C)cc1 153522103 UCYGOCRPQKHMRF-INIZCTEOSA-N 258.365 3.537 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1ccc(Br)cc1 155315643 ZFBUUCOHSAFKPT-RYUDHWBXSA-N 295.224 3.992 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(SC)o1 156760907 YQNOKFYVLCRSNE-UHFFFAOYSA-N 267.394 3.820 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@](C)(CN)C1 818594364 MNEMJMWJPJWZRD-KRWDZBQOSA-N 282.472 3.715 30 20 CHED Cc1cc(C#N)ccc1NC[C@H]1CCC(F)(F)C1 846750891 HJEMUHGMSHUPHB-LBPRGKRZSA-N 250.292 3.714 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H]2CCCC[C@@H]2C1 1141167690 VEEJDNHTDBOFHP-ZIAGYGMSSA-N 272.367 3.709 30 20 CHED C#CCCCOc1cc(Br)cc(F)c1F 219902195 PTRWFTXZODVTDD-UHFFFAOYSA-N 275.092 3.520 30 20 CHED COc1ccc(CN[C@H]2CCC[C@H](C)CC2)cc1C#N 227310210 IWUMRLPKKMJPOS-BBRMVZONSA-N 272.392 3.625 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(F)cc1Br 119326926 CLVWSCKXSFFCLY-DTWKUNHWSA-N 272.161 3.813 30 20 CHED CCc1nnc(Sc2ccccc2F)c(C#N)c1CC 125400986 HPYZBIJRJLGIEY-UHFFFAOYSA-N 287.363 3.763 30 20 CHED COc1ccc(C#N)cc1CNc1cc(C)cc(C)c1 129252259 FJVNPZOQLFFMIX-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(OC(F)F)cc1 155626194 RHDNECSYHXLCLW-GFCCVEGCSA-N 285.334 3.531 30 20 CHED Cc1ccsc1CN(C)C(=O)Nc1cccc(C#N)c1 43329407 NBJXKMJLLTVENP-UHFFFAOYSA-N 285.372 3.592 30 20 CHED CC[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N 47873434 LHNJQHDFWRAADQ-FZMZJTMJSA-N 273.336 3.847 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CSC(F)F 296277581 MPSHUIRRCFYDLO-UHFFFAOYSA-N 285.359 3.547 30 20 CHED C[C@@H]1CC[C@H](NCc2cccc(C#N)c2F)[C@H](C)C1 300241843 VXDZLABMZRZNLS-JMSVASOKSA-N 260.356 3.612 30 20 CHED Cc1cccc(NCc2ccc(C#N)c(F)c2)c1F 190394912 RBNXOGDVNBNLFW-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC23CCC3)cc1F 404680258 JYULILFSGPMVGG-OAHLLOKOSA-N 258.340 3.510 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1csc(Cl)c1 309557263 KBBHXZKOUDBSKI-ATZCPNFKSA-N 254.786 3.744 30 20 CHED Cc1nnc(Nc2ccc(C3CC3)cc2)c(C#N)c1C 611305737 IQDCQYOFNLJNQN-UHFFFAOYSA-N 264.332 3.586 30 20 CHED CC(C)c1nc(CN2CCC(CCC#N)CC2)cs1 570959149 XOXCNFNQASUVEL-UHFFFAOYSA-N 277.437 3.782 30 20 CHED N#CC1(CNC(c2ccccc2)c2ccccc2)CC1 538350192 DUSYVWGOHPIDAP-UHFFFAOYSA-N 262.356 3.669 30 20 CHED Cc1ccnc(CNc2ccc(C#N)c(Cl)c2)c1 336891810 JAHGIKTXLQVQQS-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](CC)c1ccccc1 804832438 MVZWLVNBRBBLCR-IBGZPJMESA-N 291.394 3.842 30 20 CHED N#Cc1cc(F)c(N[C@H]2CC23CCC3)cc1Br 721259388 CPGHAKUTTSVJDD-LBPRGKRZSA-N 295.155 3.814 30 20 CHED C[C@@H](CC(=O)N1CCC(CC#N)CC1)CC(C)(C)C 397316221 VEALBAURWNUBIC-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED N#CCCC1CCN(Cc2cc(Cl)ccc2F)CC1 399356617 DMFPJMASTHZVOJ-UHFFFAOYSA-N 280.774 3.995 30 20 CHED C(=NNCc1ccccc1)c1coc2ccccc12 746557266 XONCMUFYAUPJKM-UHFFFAOYSA-N 250.301 3.557 30 20 CHED CCOc1ccc(NCc2ccccc2C#N)cc1 20040280 RFEDRLIWALQERZ-UHFFFAOYSA-N 252.317 3.569 30 20 CHED N#Cc1cccnc1Oc1ccc(Br)cc1F 22801369 PHJGMRURMVROOP-UHFFFAOYSA-N 293.095 3.647 30 20 CHED Cc1nc(-c2cccs2)ccc1C(=O)OCCCC#N 23077004 OGTHTDLGKJPUJZ-UHFFFAOYSA-N 286.356 3.579 30 20 CHED N#Cc1c(F)cccc1NCc1cccc(Cl)c1 35133947 VIWKETSHRIFWPC-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC1(C)Oc2ccc(NCc3cccc(C#N)c3)cc2O1 36933811 BILCKURCOMKEBW-UHFFFAOYSA-N 280.327 3.678 30 20 CHED C[C@@H](CCc1ccco1)N[C@@H](C)c1cccc(C#N)c1 37232963 JQNRAEGPKUBDTL-KBPBESRZSA-N 268.360 3.823 30 20 CHED Cc1nc2scc(C)n2c1CNc1ccc(CC#N)cc1 37301833 NCKOMPZCFBBPTH-UHFFFAOYSA-N 296.399 3.691 30 20 CHED N#Cc1ccc(F)c(CNc2cccc(F)c2F)c1 40230766 BFYLCFRWBLOAIX-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CCN(CC)C[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 41680760 IXBBVDDVWYSFAE-NSHDSACASA-N 299.340 3.719 30 20 CHED CC(C)N(CCC#N)Cc1ccc(F)cc1Br 44414978 SJATXSSDXDFXLO-UHFFFAOYSA-N 299.187 3.712 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)c2cc(C)oc2C)n1 44730816 DFDGUQUZMJUJRX-LLVKDONJSA-N 255.321 3.645 30 20 CHED CCC/C(O)=N/S(=O)(=O)c1cc(C(C)(C)C)ccc1C 46929141 NCSMGAQWZCSFOE-UHFFFAOYSA-N 297.420 3.738 30 20 CHED Cc1cc(C(=O)N(C)c2cccc(C#N)c2)sc1C 49121663 XUIWERIYHOCMDL-UHFFFAOYSA-N 270.357 3.513 30 20 CHED COc1cc(C#N)ccc1Oc1nc2ccccc2s1 49237319 BUMOIBDPEXPNPY-UHFFFAOYSA-N 282.324 3.969 30 20 CHED COc1ccc(CN(CCCC#N)[C@@H](C)C2CC2)cc1 53097894 UOYYHVNHQRNYNZ-AWEZNQCLSA-N 272.392 3.599 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)Cc1ccccc1F 58453600 QKTWTYBWLJSZQO-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)c1cc(C#N)ccn1 62016658 UGRWERAZOTYRAT-LLVKDONJSA-N 271.751 3.804 30 20 CHED CCc1oc2ccccc2c1/C=C/C(=O)c1cnn(C)c1 68395583 JRQNUYPWADCUBU-CMDGGOBGSA-N 280.327 3.625 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 69343656 VAWIYQVKPMDZRX-STQMWFEESA-N 295.810 3.841 30 20 CHED C=CCSc1nnc(C[C@H](C)c2ccccc2)o1 72742150 ZBKWKKHSACQKOG-NSHDSACASA-N 260.362 3.694 30 20 CHED N#CCCSc1nc2c(n1-c1ccccc1)CCCC2 72806867 WXPHQANLYZXNGC-UHFFFAOYSA-N 283.400 3.757 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C 76547490 UMZTZFCNJOJUGE-UHFFFAOYSA-N 287.407 3.526 30 20 CHED CCO[C@@H](C)c1nc(COc2ccccc2C#N)cs1 76694076 NLHNWQXCLCDGFL-NSHDSACASA-N 288.372 3.691 30 20 CHED CS[C@H]1CCC[C@H](Nc2ccc(F)cc2C#N)C1 78267219 HWFXARSDZZQDLL-STQMWFEESA-N 264.369 3.783 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1cccc(O)c1 78561200 ROYFYADNYVLPJX-BQYQJAHWSA-N 260.239 3.567 30 20 CHED CCC(CC)CN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 80883735 CCRKVSPIVJCKJF-ZWKOTPCHSA-N 298.430 3.946 30 20 CHED C=CCCOCCN[C@@H](C)c1cc(C)ccc1OC(F)F 90883453 FAMDOLHEQYPRHE-ZDUSSCGKSA-N 299.361 3.840 30 20 CHED C=CCCCN1CCC(OCc2ccc(F)cc2)CC1 91887024 UFZDWKLMGZNGBO-UHFFFAOYSA-N 277.383 3.773 30 20 CHED N#Cc1c(Cl)nsc1N1CCS[C@H]2CCCC[C@@H]21 92670728 RMDCDCCOZJATDO-UWVGGRQHSA-N 299.852 3.533 30 20 CHED C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C 96609766 OEMJHMOHVLMKJJ-SNVBAGLBSA-N 261.325 3.561 30 20 CHED C=C(C)CSc1nnc(/C=C\c2ccccc2)[nH]1 96983434 CAPOUAWUOSMOMX-HJWRWDBZSA-N 257.362 3.643 30 20 CHED CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(C#N)c1 102675979 SBOQBDFGKLNZGZ-UHFFFAOYSA-N 293.414 3.646 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)c1ccc(F)cc1 102983361 ZRNRCUASUSHCIZ-UHFFFAOYSA-N 263.356 3.528 30 20 CHED C[C@@H]1Cc2ccccc2N1c1ccc(C#N)cc1[N+](=O)[O-] 104946864 KHHFPMFJPCIKEM-LLVKDONJSA-N 279.299 3.549 30 20 CHED C=CCN(Cc1c(C)nn(C)c1C)CC1CCCCC1 112202349 HISKZPXITCXYSP-UHFFFAOYSA-N 275.440 3.605 30 20 CHED N#CCOc1ccc(Cc2nc(C3CCCCC3)no2)cc1 113712426 PGJYPHJCMMXHDT-UHFFFAOYSA-N 297.358 3.610 30 20 CHED CC(C)CCOc1cccc(NC(=O)C2(C#N)CCC2)c1 119362198 GWMOZLUBUSKEKD-UHFFFAOYSA-N 286.375 3.744 30 20 CHED N#Cc1ccc(CNc2ccc(-c3csnn3)cc2)s1 119679273 IIRWIRGHCWXLFS-UHFFFAOYSA-N 298.396 3.750 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 119857433 LLXFITRAMINNPX-DOTOQJQBSA-N 269.388 3.585 30 20 CHED C=CCC[C@@H](NCc1ccc(OC)cc1OC)C1CC1 120333355 NVPVZVQJGSRUMO-MRXNPFEDSA-N 275.392 3.538 30 20 CHED C#CCCCCC(=O)Oc1ccc(OCCC)cc1 120378448 DGRGZCDXQKCJAZ-UHFFFAOYSA-N 260.333 3.574 30 20 CHED C=C[C@H](CC(=O)Nc1cc([C@@H]2C[C@@H]2C)n[nH]1)c1ccccc1 120420864 PDMSFACTOXVFMW-GZBFAFLISA-N 295.386 3.832 30 20 CHED C=CCC[C@@H](NC[C@H](C)Oc1ccccc1OC)C1CC1 121419520 SMTYXENKYGQPNW-GOEBONIOSA-N 289.419 3.797 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1OCCc2ccccc21 122291371 VVLNDXKHIWVIAZ-KRWDZBQOSA-N 287.403 3.505 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(C)cc1O)c1ccccc1 122557114 OLCDVIQUYCXUAZ-CQSZACIVSA-N 281.355 3.999 30 20 CHED CCc1nnc(N[C@H]2CCC[C@H](CC)C2)c(C#N)c1CC 124989479 MMFKEZUPZGGSKW-STQMWFEESA-N 286.423 3.854 30 20 CHED Cc1ccc2oc(C(=O)[C@H](C#N)c3nc(C)cs3)cc2c1 125061746 VAXIEDFKXYPYDB-LBPRGKRZSA-N 296.351 3.996 30 20 CHED CC(C)Oc1ccc(NC(=O)C(C2CC2)C2CC2)cc1C#N 128008198 MDMLOJQURJHRHC-UHFFFAOYSA-N 298.386 3.720 30 20 CHED C[C@H]1CC[C@H](Nc2nc3ccccc3cc2C#N)C1 132732319 IOBIKPGMXGZAMU-FZMZJTMJSA-N 251.333 3.707 30 20 CHED C=C(Cl)C[S@@](=O)[C@H](CC)c1ccc(F)cc1F 150833731 VDJONAHUIOPGRP-PXAZEXFGSA-N 278.751 3.917 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC1(C2CC2)CC1 152364537 PLYHODRXSTZDRG-UHFFFAOYSA-N 284.403 3.574 30 20 CHED C=CCCCCCN(C)C(=O)C(=O)c1ccc(Cl)cc1 156806911 SZCXPNFYZXUIFU-UHFFFAOYSA-N 293.794 3.728 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccn(-c3ccccc3)n2)o1 160819522 KDORPBUVKPCTOB-CMDGGOBGSA-N 278.311 3.670 30 20 CHED C=CCN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 161490980 VRWMUIFBPCJPIK-UHFFFAOYSA-N 265.356 3.541 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 166999238 OMQZQJZGPMVIHY-TZMCWYRMSA-N 291.376 3.553 30 20 CHED CC#CCCNC(=O)Nc1cc(Cl)ccc1Cl 168708734 NHFDHSIMQHFWFJ-UHFFFAOYSA-N 271.147 3.528 30 20 CHED N#Cc1ccc([C@H](O)CN2CCC3(CCCCC3)CC2)cc1 170739804 WRNCCSJEFQETGP-GOSISDBHSA-N 298.430 3.638 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1csc([N+](=O)[O-])c1)C2 170985727 ZYHWGNNFLXYTTQ-LFYBBSHMSA-N 285.324 3.787 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(C#N)ccc1F 173549461 KMIROSMPGHRRMQ-UHFFFAOYSA-N 287.382 3.849 30 20 CHED CCN(CCCC(C)(C)C#N)Cc1ccc(OC)cc1 174822794 ALTMBRPKSCPGIB-UHFFFAOYSA-N 274.408 3.847 30 20 CHED C=CCCCC(=O)N[C@H](c1ncccc1C)C(C)C 175781182 OJVXSZHAQZUSRX-HNNXBMFYSA-N 260.381 3.560 30 20 CHED COc1ccc([C@H](NCc2cc(C#N)cs2)C2CC2)cc1 177682550 YEWWDBCNFMLFJC-QGZVFWFLSA-N 298.411 3.869 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 178393284 PYSSJLBHUOKYPH-UHFFFAOYSA-N 292.338 3.684 30 20 CHED C=C[C@@H](CC(=O)Nc1cnn(CC2CC2)c1)c1ccccc1 178985784 WEMOWTGAGAYQLG-HNNXBMFYSA-N 295.386 3.592 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccn1C(C)C 179703209 DKGJNHRPYKOPQC-UHFFFAOYSA-N 267.332 3.501 30 20 CHED C=C(C)CN(C)C(=O)CCCCOc1cccc(C)c1 180446518 BZJKITOEEDUSEB-UHFFFAOYSA-N 275.392 3.579 30 20 CHED C=C(C)CN(C)Cc1cnc(-c2ccccc2)s1 181293758 VSOWVFCOXNNMBT-UHFFFAOYSA-N 258.390 3.818 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(-n2ccnc2)cc1 181453201 BINQIOXZVLBYGS-UHFFFAOYSA-N 288.354 3.665 30 20 CHED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccncc1 181806407 ZUWRDMRULVVRTD-GUYCJALGSA-N 265.360 3.755 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(-c2ccccn2)noc1C 182640704 PRAQYCYGVRBSPI-GFCCVEGCSA-N 299.374 3.520 30 20 CHED Cc1nnc(SC[C@@H](C)c2ccccc2)c(C#N)c1C 182715907 ITDZWPBQLMHKPO-LLVKDONJSA-N 283.400 3.861 30 20 CHED C#CCCCCNC(=O)N(CCC)CCc1cccs1 184136109 BKSZWUZKJZSJQF-UHFFFAOYSA-N 292.448 3.516 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 185688977 FKSHRBDRFYZOIK-YOEHRIQHSA-N 287.378 3.929 30 20 CHED CN1C(=O)CCc2cc(/C=C/C(=O)C3CCCCC3)ccc21 187633942 HYTRARYBUAXAOK-DHZHZOJOSA-N 297.398 3.758 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2occ(C)c2c1 187940313 KIEXJZIUDQIBMS-NSHDSACASA-N 258.321 3.827 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](CC)Cc1ccccc1 188159906 HOGOMJFAFMHZLX-RDJZCZTQSA-N 259.393 3.726 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccccc1CCC 188180126 KFTDXRXEKIYFFO-QGZVFWFLSA-N 275.392 3.806 30 20 CHED C/C=C(\CC)C(=O)Nc1sc2c(c1C#N)CCCC2 188267158 KWKBGEQVBTUWHK-XCVCLJGOSA-N 274.389 3.793 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCCC2)CC1 189896820 SZOJZRPGVOGCOE-APWZRJJASA-N 297.446 3.570 30 20 CHED CC[C@@H](CC(=O)N(CCC#N)C(C)(C)CC)C(C)C 189902538 JRIIMUSTVWLHLW-AWEZNQCLSA-N 266.429 3.990 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CC1(O)CCCCCC1 190039690 KHTWVABDMMZFCQ-OAHLLOKOSA-N 286.419 3.636 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(OC)c1C 191830849 FYUDYSBUAVOLGI-MRXNPFEDSA-N 261.365 3.853 30 20 CHED CCCCCCCS(=O)(=O)Nc1c(C)cccc1F 194804210 UWFBHVSOJPPHCT-UHFFFAOYSA-N 287.400 3.846 30 20 CHED CCn1cc([C@H](C)Nc2cccc(OCCCC#N)c2)cn1 194985195 NQNGOWRJQILBOA-AWEZNQCLSA-N 298.390 3.759 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1 207247228 VXUDRZWKURPKSC-FLIBITNWSA-N 297.310 3.890 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(C)s1 210335002 UDDLEIZKHZTONR-HJWRWDBZSA-N 258.342 3.961 30 20 CHED C=CCCCCCOc1ccc(/C=C/C(=O)O)cc1OC 234869134 WAKSNVLNODPRFL-PKNBQFBNSA-N 290.359 3.918 30 20 CHED C[C@H]1SCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 235657193 PLGPOGAIQLUACM-LDYMZIIASA-N 286.322 3.883 30 20 CHED C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 245925925 OFKXTSNZMQNPII-JEBQAFNWSA-N 292.382 3.704 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc(C#N)cc2)c1 255429521 CJCISTHENLDMGP-CLFYSBASSA-N 265.287 3.902 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])cc1 255696897 RYBMTHZFINKDHT-TWGQIWQCSA-N 283.283 3.505 30 20 CHED O=C(/C=C\c1ccccc1Cl)c1cncc(F)c1 255891847 INCWKRFAGCHYEK-WAYWQWQTSA-N 261.683 3.770 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc(Cl)s1 264235584 IXANKINYHZJGSW-UHFFFAOYSA-N 284.812 3.803 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(C#N)cs2)C1 267701534 GFQYXIPKOKOUJK-BLLLJJGKSA-N 288.416 3.661 30 20 CHED C=C[C@@H](CC(=O)N(CC)CC(F)(F)F)c1ccccc1 270356576 QCIOJLUMOUBLSP-LBPRGKRZSA-N 285.309 3.757 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)CC(=O)c1cccs1 271190711 VXSDMMFAKQHGJM-GFCCVEGCSA-N 291.416 3.594 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)c1ccc([S@@](C)=O)cc1 271478549 JKZRWKGNJHVNPS-ZUEVXXBESA-N 279.449 3.819 30 20 CHED N#Cc1cccc(N2CCCC[C@H]2c2ccccc2)n1 273813862 BNUDSTWXOWFNMW-INIZCTEOSA-N 263.344 3.685 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(OC(F)F)cc1 274416587 HZZRQXAAHRWNIG-GVXVVHGQSA-N 280.318 3.631 30 20 CHED C=CCCCCNC(=O)Nc1c(C)cccc1F 274845303 VCKIFIKADDOOKG-UHFFFAOYSA-N 250.317 3.612 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCCSC 279434632 DSGREPJSRXMRDA-UHFFFAOYSA-N 292.448 3.527 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@@H]2CCC[C@@H](OC)C2)c1 280498540 KUGJKQVWBSBHNP-SJLPKXTDSA-N 299.414 3.616 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1cc2ccccc2o1 281215964 CROSFVRUCUPKEF-AWEZNQCLSA-N 286.375 3.929 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1O 285502703 AZTTUSNTQYRLBN-GFCCVEGCSA-N 287.146 3.577 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H](C)c2cccs2)cc1 290111059 FLICNGJMJDKXCP-DOMZBBRYSA-N 298.411 3.795 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)CCCCCc1cccs1 291436052 ATZXYYBTOVXPHA-INIZCTEOSA-N 290.432 3.659 30 20 CHED Cc1ccc(C(C)(C)CNC(=O)CC(C)(C)C#N)c(C)c1 292144574 RHFLLOBRRGHUIK-UHFFFAOYSA-N 286.419 3.637 30 20 CHED CCCCCCCCC(=O)NCc1oc(CC)nc1C 293756682 UOHLHKZTSRNFPX-UHFFFAOYSA-N 280.412 3.912 30 20 CHED N#C[C@]1(C(=O)Nc2ccc(Cl)cc2F)CC12CCCC2 294197520 BKHJOGJOHFCTCV-HNNXBMFYSA-N 292.741 3.892 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2ccsc2)cc1 298697300 FVIHPMRAUFFTRL-OAHLLOKOSA-N 254.358 3.961 30 20 CHED N#Cc1ccc(NCc2cccc(OC(F)F)c2)cc1 301071941 CAVXQKPKPAABBO-UHFFFAOYSA-N 274.270 3.772 30 20 CHED CC(C)[C@H](CNc1ncccc1C#N)c1ccccc1 301084700 MBCCJIFGKMWFHH-INIZCTEOSA-N 265.360 3.805 30 20 CHED C[C@H](Sc1ccc(C#N)cn1)c1ccccc1F 301106774 RNNQHRGHLHJPNY-JTQLQIEISA-N 258.321 3.946 30 20 CHED C[C@H](Nc1ncccc1C#N)c1ncc(-c2ccccc2)o1 301334592 CIOUKVYZPFDCLE-LBPRGKRZSA-N 290.326 3.781 30 20 CHED N#Cc1cccc(Sc2ncnc3sccc23)c1 301640751 NGYMYRFRHSJOSV-UHFFFAOYSA-N 269.354 3.714 30 20 CHED COCCC1(CNc2ccc(C#N)cc2F)CCCC1 301666484 OPDZUPZJUJZEBS-UHFFFAOYSA-N 276.355 3.706 30 20 CHED Cc1c(Cl)ccc2ccc(NC[C@@H](C)C#N)nc12 302046968 LJOGPBMPXRHRNZ-VIFPVBQESA-N 259.740 3.768 30 20 CHED CSCc1cccc(CNc2c(C#N)cccc2C#N)c1 302906789 XFJYRPAMOHXOBV-UHFFFAOYSA-N 293.395 3.905 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@@H](C)CC 302992834 JPBOIGSNSXBOBY-LSDHHAIUSA-N 274.408 3.819 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cc(F)ccc1O 311173835 SKTKDAUGADFUCJ-NSHDSACASA-N 251.345 3.784 30 20 CHED N#CCc1cccc(NCc2cn3cc(Cl)ccc3n2)c1 313454585 WFOHVFVNTKXKCF-UHFFFAOYSA-N 296.761 3.666 30 20 CHED COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1C#N 319978137 RKYJQBYPSZHZLH-UHFFFAOYSA-N 296.414 3.625 30 20 CHED O/C(=N/Cc1ccsc1)c1coc(C2CCCC2)n1 328729459 HIZUYMRXXXHRFZ-UHFFFAOYSA-N 276.361 3.899 30 20 CHED CC1CCC(C/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)CC1 328837504 NBCXRURYPOMISA-MVKMKZAISA-N 266.385 3.524 30 20 CHED CCC[C@H](/C(O)=N/[C@H](C)[C@@H]1CCCOC1)c1ccccn1 329394698 VHWWITSRKPAOIR-KFWWJZLASA-N 290.407 3.737 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1conc1C1CC1 329523900 QCLJCLSILMYCEF-WCFLWFBJSA-N 274.364 3.825 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1ccc(C#N)cc1 331747034 ZIRUAZMXBAMBJH-RRQGHBQHSA-N 297.402 3.593 30 20 CHED Cc1nc2cc(NC3CCC(C)(C#N)CC3)ccc2n1C 336215825 NFUKGUHDBFHEFG-UHFFFAOYSA-N 282.391 3.766 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccsc1 336457251 MNZGJZVUZVMVSW-SECBINFHSA-N 274.320 3.501 30 20 CHED N#CCCN(CCSC1CCCCC1)CC1CC1 337210263 CGTPPLOWVLARAL-UHFFFAOYSA-N 266.454 3.678 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C)CCC[C@H]1C 337943412 FZVPDYGZMFCXRE-CHWSQXEVSA-N 270.376 3.517 30 20 CHED N#Cc1cccc(NCC2(Sc3ccccc3)CC2)n1 339221577 ISHZWNNWOLRBAC-UHFFFAOYSA-N 281.384 3.690 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 341448682 BWSXEVSUYCLUIH-QLFBSQMISA-N 255.365 3.724 30 20 CHED Cc1ccnc(N[C@H](c2ccccc2)C2CC2)c1C#N 343448271 ZQUYNKWAHMODBX-MRXNPFEDSA-N 263.344 3.825 30 20 CHED N#Cc1cc(F)ccc1NCC1(C(F)(F)F)CCC1 343951472 MUXFKGBMXZDCAJ-UHFFFAOYSA-N 272.245 3.842 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N(C1CC1)C1(C#N)CCC1 344044395 CEPYNVNPBVPYEX-UHFFFAOYSA-N 286.375 3.762 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 344181014 YGDYNEYERZTPFV-WMLDXEAASA-N 296.414 3.675 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C1Cc2ccccc2C1 345891647 SJSAVPWOXZXOAW-UHFFFAOYSA-N 298.430 3.580 30 20 CHED C=CCOCCCN(Cc1c(F)cccc1F)C1CC1 348193791 OICKKLFXXDXZGV-UHFFFAOYSA-N 281.346 3.522 30 20 CHED Cc1nc2cc(C(=O)Nc3cccc(C#N)c3C)ccc2o1 348347853 FFRMULLJZXLUJQ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C=C(C)CCc1noc(-c2cc(-c3cccs3)on2)n1 351623933 KRWKSNMOZRROIA-UHFFFAOYSA-N 287.344 3.962 30 20 CHED C[C@@H](CCC#N)N1CCC(Cc2ccccc2)CC1 351634230 QGIJDTHWXAIFKP-HNNXBMFYSA-N 256.393 3.633 30 20 CHED C=CCN(CCc1ccco1)Cc1sccc1OC 352989564 MEWARAHWYVTMMY-UHFFFAOYSA-N 277.389 3.580 30 20 CHED C=CCCCCNC(=O)Nc1cnn(C)c1-c1ccccc1 353141501 RBJKQKPVLBLAQI-UHFFFAOYSA-N 298.390 3.565 30 20 CHED C=CCC[C@H](N[C@H](C)C[C@@H]1CCCO1)c1ccco1 353494458 CUWLYZXUEXJXCM-ILXRZTDVSA-N 263.381 3.834 30 20 CHED C=CCCC1(C(=O)NCc2ccccc2OC(F)F)CC1 353828140 QCEJSJCLYWBQGL-UHFFFAOYSA-N 295.329 3.651 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H](C)C1 355131572 JAQYPOIVWLCERA-OLZOCXBDSA-N 260.356 3.565 30 20 CHED CC(C)(C)Oc1c(F)cc(NC(=O)CCCC#N)cc1F 360719636 WNKXELSVONNCAR-UHFFFAOYSA-N 296.317 3.774 30 20 CHED N#CCCCN1CC[C@@](F)(c2cccc(Cl)c2)C1 374624346 GUGCJPPZWQZWLK-AWEZNQCLSA-N 266.747 3.514 30 20 CHED C#C[C@@H](NCc1ccc(OC)c2ccccc12)C(C)C 382930248 JTJUSQCACUCESB-QGZVFWFLSA-N 267.372 3.596 30 20 CHED CCOc1ccc(-c2nc3cc(C#N)ccc3n2CC)cc1 387819255 UVMZMHZUWZWXAB-UHFFFAOYSA-N 291.354 3.994 30 20 CHED Cc1cccc(C)c1CN1CCC(CCC#N)CC1 399363022 HCVLZHXFCBSGTP-UHFFFAOYSA-N 256.393 3.819 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@H]1C 409713242 VXVFUKNBNMEEGZ-OCCSQVGLSA-N 278.421 3.634 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 409722983 VFDWOJQTEXMZAI-QWRGUYRKSA-N 285.309 3.890 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 410123950 VBGHPXDTNKLQJE-QWHCGFSZSA-N 295.810 3.887 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2CCC2CCCC2)n1 410212291 BVDNEFHVCMAVNX-MRXNPFEDSA-N 269.392 3.892 30 20 CHED C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 411142360 PGGDXEXHEONMEA-JEBQAFNWSA-N 290.366 3.539 30 20 CHED Cc1ccc(-c2nnc([C@H](C)SCCC#N)o2)cc1 413010825 HXNLYYORPAEFJH-NSHDSACASA-N 273.361 3.753 30 20 CHED N#C[C@@H](Nc1ccccc1OCCF)C1CCCCC1 414156011 OSKOPJJLYHIRBE-OAHLLOKOSA-N 276.355 3.919 30 20 CHED C=CCC[C@@H](CC)Nc1cccc([C@@H]2CCC(=O)N2)c1 414313159 KDOUILVVDGKASE-ZBFHGGJFSA-N 272.392 3.794 30 20 CHED N#Cc1csc(CNC[C@H]2CCC[C@@H]2C2CC2)c1 414486935 RLISCQAKOFHWKA-UKRRQHHQSA-N 260.406 3.536 30 20 CHED COCC[C@@H]1CCC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 417355609 AYOLFOBQCVMJEB-IPELMVKDSA-N 298.430 3.730 30 20 CHED CC#CCCCC(=O)N[C@@H](CC(F)F)c1ccccc1 421698618 KPKNNKXAOKEHQE-AWEZNQCLSA-N 279.330 3.693 30 20 CHED C=CCC1(C(=O)N2C[C@@H](CC)O[C@H](CC)C2)CCCC1 421967135 GQCKRLVYWQJZMO-HUUCEWRRSA-N 279.424 3.539 30 20 CHED C=CCC[C@@H](N[C@@H](C)CCCCN)c1ccccc1 422991473 BEZSNMKCQDXVKY-DOTOQJQBSA-N 260.425 3.801 30 20 CHED CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[C@H]1C(C)(C)C 425856717 FLMRRXUZBYHWMO-YJNKXOJESA-N 291.439 3.535 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 430352150 HGKWTNFTLAVUIF-CQSZACIVSA-N 296.361 3.927 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)Cc1cccs1 432559373 ROVSVWUHQXYZJT-UHFFFAOYSA-N 280.437 3.882 30 20 CHED CN(CC(C)(C)C#N)[C@H]1CCc2c(Cl)cccc21 433317139 KGYJEZVDEOQORT-AWEZNQCLSA-N 262.784 3.809 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H]2CCC[C@@H]21 433377571 NFUOULQDBIQMNN-BZSNNMDCSA-N 296.414 3.550 30 20 CHED Cc1cc(OCc2nc(-c3cccs3)no2)ccc1C#N 434649337 XAMYPHOXPNWCSA-UHFFFAOYSA-N 297.339 3.557 30 20 CHED Cc1cc(OCC(=O)c2cccc(Cl)c2)ccc1C#N 434651205 VPHPXJHXPWJZEG-UHFFFAOYSA-N 285.730 3.782 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)NCCCC#N)CC1 436316210 IKCNLBADWFVLAX-KBPBESRZSA-N 279.428 3.584 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2ccc(Cl)cc2Cl)C1 442651424 QJZLNWOKZGAXGC-MFKMUULPSA-N 283.202 3.818 30 20 CHED CCO[C@H]1C[C@H](NCc2ccc(C#N)c(C)c2)C12CCCC2 443993292 KYNPLJITDPXZPS-ROUUACIJSA-N 298.430 3.694 30 20 CHED N#Cc1ccn(CCc2cc(Cl)cc(Cl)c2)c1 447788431 VHGUYXQHBMMKQI-UHFFFAOYSA-N 265.143 3.909 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 448814721 ZTYBGPXZTGFJMQ-FGTMMUONSA-N 283.415 3.680 30 20 CHED COCc1nc2cc(NC3CCC(C)(C#N)CC3)ccc2o1 449176048 LWUYDUNAYRWZSL-UHFFFAOYSA-N 299.374 3.859 30 20 CHED C=C(C)CCNCc1c[nH]nc1-c1ccc(Cl)cc1 449471640 CXOGCAFDWAATDO-UHFFFAOYSA-N 275.783 3.786 30 20 CHED COc1cccc([C@H]2C[C@H](N[C@H]3CCC[C@H](C#N)C3)C2)c1 449617320 HBFGJDCZZVNMGL-HJWJTTGWSA-N 284.403 3.613 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC1(C#N)CC1 451194545 ZCWZKLAVZGPJNF-IIAWOOMASA-N 254.377 3.557 30 20 CHED C=CC(C)(C)CNC(=O)c1cccc(C)c1Cl 452773186 HVFHXYCLRPOZJJ-UHFFFAOYSA-N 251.757 3.590 30 20 CHED C=CC(C)(C)CNC(=O)c1cnc(-c2ccsc2)s1 452778705 YQZDRHCTLQHMCF-UHFFFAOYSA-N 292.429 3.814 30 20 CHED C=CCC1(c2nc([C@@](C)(CC)OC)no2)CCCC1 453188127 PLOYWBQIEAHTLF-CQSZACIVSA-N 264.369 3.729 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1cc(C)sc1C 454250505 OZYQQXKOVOEQGU-NSHDSACASA-N 266.410 3.691 30 20 CHED CC#CCN(C)C(=O)Nc1cccnc1-c1csc(C)c1 455216378 IPRFYQFSMYDKCB-UHFFFAOYSA-N 299.399 3.606 30 20 CHED C=C(C)CCNC(=O)N(C)Cc1ccccc1SC 455328186 RCDSFAVDUVDBDM-UHFFFAOYSA-N 278.421 3.516 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(CC#N)c1 455922354 QIRPVCDFVZKPRR-GOEBONIOSA-N 285.391 3.843 30 20 CHED C=CCC1(CNC(=O)CCc2ccc(C#N)cc2)CCCC1 456490327 WSOJOHGTSWIROE-UHFFFAOYSA-N 296.414 3.744 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)[C@H]1CCOC(C)(C)C1 458805528 AOPDCASWCWINQH-AWEZNQCLSA-N 296.455 3.578 30 20 CHED C[C@H](NC(=O)N(C)CC(C)(C)C#N)c1cccc(C2CC2)c1 458901308 KNIQRMJBTYXNSI-ZDUSSCGKSA-N 299.418 3.816 30 20 CHED CC(C)[C@@H]1CN(C(=O)NCC(C)(C)CC#N)c2ccccc21 459249584 YXVHHWSJAUVHIG-HNNXBMFYSA-N 299.418 3.896 30 20 CHED N#Cc1ccc(CCC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 460476082 ABXPXJIYPQCBCG-RCCFBDPRSA-N 296.414 3.576 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)CCCC 460653951 BKYFFMBDQJACCT-ZIAGYGMSSA-N 254.418 3.951 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 469752443 MMMSFRJJUNKYOR-JKSUJKDBSA-N 263.425 3.901 30 20 CHED C=C(C)[C@H](NCc1ccc(F)cn1)c1ccc(F)c(F)c1 469792863 XLUYOVYDPBYEGX-INIZCTEOSA-N 292.304 3.906 30 20 CHED C=CCCCCNC(=O)Nc1ccc(SC)cc1 473497600 LESMMMWLFOPBFT-UHFFFAOYSA-N 264.394 3.886 30 20 CHED C=CCCCCNC(=O)c1c(Cl)c2ccccc2n1C 474669256 COTPBIATBNMWIK-UHFFFAOYSA-N 290.794 3.918 30 20 CHED CC(C)c1cccc(CNC(=O)c2cccc(C#N)c2)c1 475987863 XCHRDBJTZJTZLA-UHFFFAOYSA-N 278.355 3.612 30 20 CHED CC(=O)c1ccc(OCCOc2cccc(C#N)c2)c(C)c1 476669936 GNWJMWBBZQRFMN-UHFFFAOYSA-N 295.338 3.527 30 20 CHED COc1cc(NCCOc2ccc(C#N)cc2)c(C)cc1C 480310040 ZDWARGCIQKIWSJ-UHFFFAOYSA-N 296.370 3.675 30 20 CHED CCCCn1ncc(NCc2ccc(C#N)o2)c1C(C)C 480477047 AXVJMYGWKOBTBO-UHFFFAOYSA-N 286.379 3.883 30 20 CHED CC#CCCCC(=O)Nc1cnn(C(CC)CC)c1CC 482685892 DZSOWCVYENAWSV-UHFFFAOYSA-N 289.423 3.939 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)s1 487642221 RADHXYKHLMVZSS-CABCVRRESA-N 296.395 3.686 30 20 CHED Cc1[nH]c(=N[C@H](c2ccc(F)cc2)C2CCC2)ccc1C#N 488063893 AINRUIBRSAKEEL-SFHVURJKSA-N 295.361 3.776 30 20 CHED N#Cc1c(F)cccc1COc1ccnc(C(F)(F)F)c1 488257263 BJKCPWOWHKJNPI-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccccc1SC 488845152 VXVBZUJDIDHSRF-AWEZNQCLSA-N 275.417 3.518 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@H](C)[C@H]1C)c1ccccc1 489014741 PFXRRZWAKRNLMN-UXLLHSPISA-N 271.404 3.993 30 20 CHED COc1cc(C#N)ccc1CN1CCCC12CCCCC2 501317882 POIOLQKMPSPAIG-UHFFFAOYSA-N 284.403 3.866 30 20 CHED N#Cc1ccccc1SCc1ccncc1Cl 505501908 UPZBJDFSUUCIHD-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC1(C)C(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1(C)C 505797092 SJJUEFLYNRTUIB-GFCCVEGCSA-N 290.794 3.703 30 20 CHED C=C(C)CCc1noc(-c2cc(OC)c(C)c(OC)c2)n1 508634908 GUQYPEYOWBBJDN-UHFFFAOYSA-N 288.347 3.571 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1 509338618 RUXIAACYGVEFBG-QFACEVIFSA-N 295.426 3.851 30 20 CHED COc1ccccc1-c1noc(-c2cccc(C#N)c2C)n1 511221887 KNFUUEACTZRUIU-UHFFFAOYSA-N 291.310 3.592 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc(C#N)cc1 512118719 OPLKOMOFNKAHOH-RHSMWYFYSA-N 299.418 3.574 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(c2nccs2)CC1 513463307 LFJMLWVHBWSPIY-CQSZACIVSA-N 293.480 3.836 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(-c2ccccc2)cc1 513962315 VJPMGILJVDFGMF-HNNXBMFYSA-N 264.372 3.945 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1nc2c(cc1C#N)CCC2 520029852 FZTWULOGCDEYPH-CQSZACIVSA-N 291.398 3.794 30 20 CHED C=CC[C@H]1N(C(=O)CSC(C)C)CCCC1(C)C 521717768 HCIGVKAHLADXOT-CYBMUJFWSA-N 269.454 3.721 30 20 CHED CC(C)CCOCCSc1ccc(C#N)cc1F 524727044 DLKDEKJROJJOFA-UHFFFAOYSA-N 267.369 3.852 30 20 CHED C=CCC[C@H](C)NCCc1c[nH]c2cc(C)ccc12 527371653 RIFOFFQVQNLGLL-AWEZNQCLSA-N 256.393 3.963 30 20 CHED N#C[C@H](CO)Cc1cccc(-c2ccc(OC3CC3)cc2)c1 527588030 ITYATFRIOAXJRK-OAHLLOKOSA-N 293.366 3.569 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1[C@@H](C2CC2)[C@H]1C 528101375 PKTUYQZOHJLNPY-FSPWUOQZSA-N 299.414 3.502 30 20 CHED CO[C@H](CNc1cccc(CC#N)c1)Cc1ccc(F)cc1 530112674 FQQPURSJKITJSM-SFHVURJKSA-N 298.361 3.561 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 534964788 BDSOZAXTWXMNBP-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc2nsnc2c1 538528859 FQXFKLBROVXEDL-UHFFFAOYSA-N 289.404 3.510 30 20 CHED C=CCN(c1ncc(C(F)(F)F)cc1Cl)C1CC1 538939011 MRUCKTSLAQHQRV-UHFFFAOYSA-N 276.689 3.909 30 20 CHED C=C(CC)CN(C)Cc1cc(Cl)ccc1OC 540193459 KKZREPPAMMBWBD-UHFFFAOYSA-N 253.773 3.747 30 20 CHED Cc1ccc([C@@H](C)NCCOc2cccc(C#N)c2)cc1 540331557 VXRXASHQWNSGTQ-OAHLLOKOSA-N 280.371 3.596 30 20 CHED CC1(C)Cc2cc(CN3CCC(CC#N)CC3)ccc2O1 542848943 AZMISHWTVRQUGY-UHFFFAOYSA-N 284.403 3.526 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN2CCC(CC#N)CC2)o1 542851737 ZCZJRHVPCTVBJR-IUODEOHRSA-N 258.365 3.529 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)Cc1ccsc1 543114089 KDUMJVKHKOFXEZ-LLVKDONJSA-N 272.373 3.671 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(C)cc1SC 543236483 NYTPANQUMSDZGJ-CQSZACIVSA-N 292.448 3.871 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1ccc(F)cc1Cl 543876515 PWLUWNAMTMIRKE-CYBMUJFWSA-N 298.789 3.676 30 20 CHED C=CCCCc1nc(-c2ccc3cc(OC)ccc3n2)no1 545600740 JYGZPKQWMODIEI-UHFFFAOYSA-N 295.342 3.802 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc2cc[nH]c12 548148361 ICLLWMZYXAUGAX-UHFFFAOYSA-N 292.338 3.985 30 20 CHED N#CCCCOc1cccc(N[C@@H]2CC[C@@H]2C2CC2)c1 554370451 QRHJUZZIQPCUKK-IAGOWNOFSA-N 270.376 3.970 30 20 CHED CC(F)(F)CNc1ccc(C#N)cc1C(F)(F)F 555204598 VUEFKNBIDRLBAR-UHFFFAOYSA-N 264.197 3.644 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(C1CC1)C1CC1 557517297 IRWKGHRSCSBUEZ-QGZVFWFLSA-N 266.388 3.714 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)NCC#Cc1cccc(F)c1 558714311 XQBZRQWCKFDIHZ-GDBMZVCRSA-N 287.378 3.510 30 20 CHED Cc1cc(N2C[C@H](c3ccccc3C)C[C@H]2C)cc(C#N)n1 566578337 LXOPXTPLUBYGCT-HZPDHXFCSA-N 291.398 3.953 30 20 CHED C=C(C)CCc1noc(-c2ccc(C#N)c(Cl)c2)n1 571482497 UQIAIGYADZWSQD-UHFFFAOYSA-N 273.723 3.770 30 20 CHED CC(C)c1ncc(/C=C\c2ccc(C#N)cn2)s1 572303924 OUFVTXHFJWEYGD-WAYWQWQTSA-N 255.346 3.704 30 20 CHED N#C[C@H]1CC[C@H](NCCOc2cccc(Cl)c2Cl)C1 578287242 RVDKCQPQXIKSGJ-QWRGUYRKSA-N 299.201 3.654 30 20 CHED Cc1oc(C)c(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1C 585699289 FIKDZUOHOKOOQO-KRWDZBQOSA-N 288.391 3.797 30 20 CHED N#CCCCCCC(=O)NCC1(c2ccccc2)CCC1 588149607 ICFWPVSXRVHJIW-UHFFFAOYSA-N 284.403 3.699 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)CCCCCC#N)C1 588158730 CYYRCLZVJBPZJV-ZIAGYGMSSA-N 250.386 3.545 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1cccnc1 588203901 SQAMIGYYSYHNHP-SFHVURJKSA-N 277.371 3.599 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(F)nc1)CCO2 588523933 HSXQPAHMGDLYQR-NTEUORMPSA-N 297.329 3.886 30 20 CHED CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)CCCCCC#N 588924702 PKXRKCJOPLZHGC-GFCCVEGCSA-N 292.345 3.896 30 20 CHED CCC(C)(C)C1CCC(NC(=O)c2cccc(C#N)n2)CC1 589257524 HXFLIHBCMNRQMJ-UHFFFAOYSA-N 299.418 3.678 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CCCC1CC1 589703606 SORHFTBLOBFVFS-UHFFFAOYSA-N 285.391 3.899 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)Nc2cc(CC#N)ccn2)C1(C)C 590907731 FVTQHBOWSSYCGF-SJCJKPOMSA-N 285.391 3.549 30 20 CHED C[C@H]1CN(CCCCC(C)(C)C#N)CC2(CCCC2)O1 592194651 PVKDQSJIYYRBTC-HNNXBMFYSA-N 278.440 3.740 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N(CC#N)c1ccc(Cl)cc1 592650945 CVVDNSRXLDZVPE-VXGBXAGGSA-N 278.783 3.879 30 20 CHED CCN(C(=O)c1sc2cccc(F)c2c1C)[C@H](C)C#N 598350596 QEILCWGMMBSZHI-SECBINFHSA-N 290.363 3.723 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@@H](C)CC(C)C)n1 598851491 AWWZRVUUQODJME-NSHDSACASA-N 273.380 3.581 30 20 CHED N#CCCCCCc1nc(C2(c3cccc(F)c3)CC2)no1 599174642 WTOLAIYJVCRNDM-UHFFFAOYSA-N 299.349 3.915 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 599527877 WHKHDUJJWIWOGC-ALKREAHSSA-N 298.430 3.762 30 20 CHED CCCOc1cccc(-c2cn([C@H]3CC[C@H](C#N)C3)nn2)c1 600974117 VTCDOKKERXGPKV-ZFWWWQNUSA-N 296.374 3.599 30 20 CHED N#CCCCCCC(=O)Nc1ncc(Cl)cc1Cl 602234334 RLYJYAQAKZRHTK-UHFFFAOYSA-N 286.162 3.801 30 20 CHED C[C@H](CCC#N)CNc1cccc(Oc2cnccn2)c1 602485425 SNAGGIBABANSDM-CYBMUJFWSA-N 282.347 3.621 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)s1 604028657 CGVCGXVMFGIBSP-KWBADKCTSA-N 274.389 3.557 30 20 CHED C=CCCCCCN(C)C(=O)COc1ccc(C)cc1C 606816913 YGUCTMFBKBPWIL-UHFFFAOYSA-N 289.419 3.887 30 20 CHED C[C@H](N[C@@H](C#N)C1CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 609676967 JCFZBUKESZZEMG-PTTAZLHSSA-N 260.425 3.873 30 20 CHED CC(C)c1nc(CN[C@@H](C)c2cccc(C#N)c2)cs1 610345117 SCYHGBFPJPAJPI-LBPRGKRZSA-N 285.416 3.989 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC(F)(F)C1 611475704 AZRJUDVVCMLHDD-HIFRSBDPSA-N 276.330 3.713 30 20 CHED N#CCCCCN1CCC[C@@H]1/C=C\c1ccccc1 611554632 HMVKLCFUTHSJPQ-WFTPILKQSA-N 254.377 3.858 30 20 CHED CSc1ccccc1CN1CCC[C@@](C)(C#N)C1 612162152 FRSPNITYBQRQPI-HNNXBMFYSA-N 260.406 3.534 30 20 CHED CCCC1CCC(NC(=O)N2CCC[C@](C)(C#N)C2)CC1 612358638 PQVRQLGGIOJPNS-VMBOVVBDSA-N 291.439 3.681 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 617789436 JASUPZJCDDFVPL-LBPRGKRZSA-N 263.768 3.768 30 20 CHED C[C@@H]1CC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)C[C@H]1C 618802826 FZZQENTYLYOYGL-MHRLRVJTSA-N 268.404 3.960 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1SCCc2sccc21 620858826 QFIXSWOFEQSDBV-ZDUSSCGKSA-N 295.473 3.940 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccccc1C 620864486 FVZZTTRTDQIGET-JKSUJKDBSA-N 271.404 3.960 30 20 CHED C=CCN(C(=O)c1sccc1SC)C(C)(C)C 622944346 OGEVQZDGSLFLGD-UHFFFAOYSA-N 269.435 3.897 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2ccccc2OC)CCCCC1 645766107 YDNZTEYXNPBATA-CQSZACIVSA-N 287.403 3.588 30 20 CHED C=CCC1(NC(=O)NCc2cscc2C)CCCC1 664770396 URPCKPMOANMCBD-UHFFFAOYSA-N 278.421 3.745 30 20 CHED C=CCCNC(=O)N1CCCC[C@H]1c1ccccc1OC 665946278 VAJXBVRWRFGERT-HNNXBMFYSA-N 288.391 3.508 30 20 CHED C=CCCN[C@H](COC)c1cccc(C(F)(F)F)c1 678780830 RAYQDAOAGHWERU-CYBMUJFWSA-N 273.298 3.559 30 20 CHED C=CCCOCc1nc([C@@H]2CCCc3ccccc32)no1 680679151 NYISTRWOKWIZHQ-OAHLLOKOSA-N 284.359 3.631 30 20 CHED CCCCSCC(=O)Nc1ccc(C#N)cc1Cl 701255826 PISNNCVMQWSANY-UHFFFAOYSA-N 282.796 3.683 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc2c(c1)-c1ccccc1C2 726533292 ZBAWTGOAGSRKGD-MRXNPFEDSA-N 290.366 3.680 30 20 CHED C#CCCOC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 727042930 VSUBAEOXRPNCDZ-JOHJCKIYSA-N 260.377 3.550 30 20 CHED Cc1ccc(C)c(NN=Cc2nccn2CC(F)(F)F)c1 727683200 FPPBPOJSUHYULN-UHFFFAOYSA-N 296.296 3.508 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)OCc1ccc(F)cc1C#N 728624844 LSOCKMKOMMFQNP-OLZOCXBDSA-N 289.350 3.957 30 20 CHED CC(C)(C)CCCC(=O)OCc1ccccc1C#N 729025870 FWMJMMTUQMARGQ-UHFFFAOYSA-N 259.349 3.818 30 20 CHED C=CCCOC(=O)C(C)(C)c1ccc(Cl)cc1 729074126 CMRBFVSMOGNSBC-UHFFFAOYSA-N 252.741 3.737 30 20 CHED CC(C)(C)[C@@H]1CCCN1C(=O)/C=C\c1ccccc1C#N 729402643 SWOTWHMSYCFYEM-SNGWPZLWSA-N 282.387 3.609 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)C[C@H]2CCOC2)c1 732200915 TXHYCPYFGVCTQI-LJQANCHMSA-N 291.394 3.711 30 20 CHED C[C@@H](OC(=O)CC[C@@H]1CCCCO1)c1cccc(C#N)c1 732501900 FDCCUTTYAAXACS-CJNGLKHVSA-N 287.359 3.512 30 20 CHED C[C@@H]1CCC[C@H](N2CCC(=NNC3CCCC3)CC2)C1 733747311 JDXAKHDGTFIQMR-PBHICJAKSA-N 277.456 3.549 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)CCC1CCCCC1 734309514 XHAOMLKTCVVAMO-ZDUSSCGKSA-N 268.470 3.776 30 20 CHED C[C@H](CC(=O)OCc1ccc(C#N)cc1)c1cccc(F)c1 734906249 MPOZOOKQNWBXHR-CYBMUJFWSA-N 297.329 3.934 30 20 CHED Cc1ccc(F)c(C=NNc2ccc(F)cc2F)c1 734976473 ALEJWWGZZICEME-UHFFFAOYSA-N 264.250 3.858 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2csc(C(=O)O)c2)c1 734981888 XYPNBSXYGWJHMT-HWKANZROSA-N 290.315 3.790 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2CSc3ccccc32)c1 735414891 MVECHABXERBYEH-KDVQLTRESA-N 285.368 3.667 30 20 CHED C=C(Cl)CNC(=O)CCCCc1ccc(C)cc1 736241201 ZQYPWGIVWZWIEI-UHFFFAOYSA-N 265.784 3.577 30 20 CHED CCCc1ccc(N[C@H](C(=O)O)c2ccc(C#N)cc2)cc1 737044930 KTFBRMSSAXCUPT-KRWDZBQOSA-N 294.354 3.749 30 20 CHED COc1ccc(CCNN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 737440516 KYRNGQHQQBRAFK-UBDQQSCGSA-N 298.430 3.639 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1C=NOCc1ccccc1 739411300 HBRIYNJVHLLRJG-UHFFFAOYSA-N 290.706 3.799 30 20 CHED CCCCCCCCCN(C)C(=O)C[C@@H]1CCOC1 739524782 LYDTXCIDGOMKLB-HNNXBMFYSA-N 269.429 3.622 30 20 CHED C=CCCCCCN(C)c1nnc(C)cc1C(F)(F)F 739899004 YOPSUIWYANULBZ-UHFFFAOYSA-N 287.329 3.986 30 20 CHED Cc1ccoc1C=NNc1ccc2ccccc2n1 743421068 NVMKLGWMCJKEHB-UHFFFAOYSA-N 251.289 3.582 30 20 CHED C=CCSCCNC(=S)Nc1cccc(Cl)c1 745019675 RGZQIJCHDXRVNV-UHFFFAOYSA-N 286.853 3.546 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cc(C#N)cs1 748078769 FZCWVHSHRXIJKO-GFCCVEGCSA-N 263.410 3.902 30 20 CHED Cc1cc(C#N)ccc1COC(=O)Cc1cccc(Cl)c1 748935502 TUMMFQMBKBOBHX-UHFFFAOYSA-N 299.757 3.806 30 20 CHED Cc1cc(F)ccc1/C=C1/Cc2c(O)cccc2C1=O 750906946 SZZTWYSOYGHCOS-WQLSENKSSA-N 268.287 3.662 30 20 CHED COc1cc(C)c(C=NNc2ccccc2F)cc1OC 751520247 FVNWCFNSMQJGFK-UHFFFAOYSA-N 288.322 3.597 30 20 CHED C=CCN(C(=O)[C@H]1CC[C@H](C(C)C)CC1)C(C)C 753046589 SOQBVLNOZFGNCP-SHTZXODSSA-N 251.414 3.872 30 20 CHED C[C@@H]1CC/C(=C\C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 753804240 ZMKWVGLMIQHBNV-YURTZEIPSA-N 280.327 3.750 30 20 CHED C#C[C@H](CC)NC(=O)c1ccccc1SCc1ccco1 754366896 NRRNJYLENUZQAE-CYBMUJFWSA-N 299.395 3.714 30 20 CHED C#C[C@H](CC)NC(=O)c1sccc1-c1ccc(C)cc1 754393868 LRTPZKSIWOMNEL-CQSZACIVSA-N 283.396 3.865 30 20 CHED CCCCc1ccc(C(=O)/C=C/c2cn(C)nc2C)cc1 755582374 XINGJLVDBVORSB-VAWYXSNFSA-N 282.387 3.967 30 20 CHED Cc1cccc(C)c1C=NNc1ncccc1Cl 755655632 TZADFWAAYXUZQZ-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)CCc1ccccc1)OCC 756479647 KMJKMTGOXGBBCC-RDJZCZTQSA-N 290.403 3.922 30 20 CHED Cc1sc(C(=O)O[C@H](C)C#N)cc1-c1ccc(F)cc1 756539778 LKMMVBWWFCMKMO-SECBINFHSA-N 289.331 3.932 30 20 CHED Cc1ncsc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1C 756777788 OADWRHZDWVLAMX-VOTSOKGWSA-N 288.328 3.564 30 20 CHED C#CC[C@H](NC(=O)c1sc(CC)nc1C)c1ccccc1 757596820 DUOKYNRHDGTQGF-AWEZNQCLSA-N 298.411 3.508 30 20 CHED C=CCNC(=S)Nc1ccccc1COC(C)(C)CC 757941995 GGMNMYPXSZUGRR-UHFFFAOYSA-N 292.448 3.864 30 20 CHED CC(=NO[C@H]1CCCCO1)c1c(Cl)cccc1[N+](=O)[O-] 758128915 MDGSGBJAQXVHMF-LBPRGKRZSA-N 298.726 3.515 30 20 CHED CC[C@@H]1CCCC1=NNc1cc(F)cc(OC)c1 759211051 YBOVMNJXPDQAMJ-SNVBAGLBSA-N 250.317 3.812 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1C[C@@]12CCOC2 763424866 DCEQHVYGDFQHFN-YQQAZPJKSA-N 281.440 3.526 30 20 CHED C[C@@H](OC(=O)C#Cc1ccccc1)c1ccc(F)c(F)c1 764344796 IGQDTKLBMFBACN-GFCCVEGCSA-N 286.277 3.621 30 20 CHED COc1ccc(C(=O)/C=C/c2sccc2OC)c(F)c1 764435775 URVIDQCUMSRCMI-AATRIKPKSA-N 292.331 3.801 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)cc1 765826899 VMGNFDZRSDNBJG-WDZFZDKYSA-N 296.322 3.680 30 20 CHED C#Cc1cccc(NC(=O)NCCc2c(C)cccc2C)c1 765872446 QQTAZQPDPKDQMK-UHFFFAOYSA-N 292.382 3.649 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1ncccc1CC 766305510 BZMLHPDUZOVIFV-UHFFFAOYSA-N 297.354 3.600 30 20 CHED CCO[C@@H]1CCCC1=NNc1nc2ccccc2s1 766428050 BENJNKNWVOKGBK-GFCCVEGCSA-N 275.377 3.653 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(C(C)(C)O)cc1 767356718 WANIFWNZFLYVBB-UHFFFAOYSA-N 293.370 3.622 30 20 CHED CCCCC[C@H](C)NC(=O)Nc1cccc(C#N)c1C 770291117 SRPCKAYOAVNRTR-LBPRGKRZSA-N 273.380 3.957 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@H](O)c1cccc(F)c1 770389763 XCCSZOMBBRLYDI-GUYCJALGSA-N 295.398 3.724 30 20 CHED Clc1ccc(NN=C2CCCOCC2)c(Cl)c1 770591670 NWBYPQSLXHSKBT-UHFFFAOYSA-N 273.163 3.962 30 20 CHED C#C[C@@H](C)NC(=O)C1(c2ccc(C(C)C)cc2)CCCC1 772974264 ANVSRWYNQRLGMO-OAHLLOKOSA-N 283.415 3.760 30 20 CHED COc1ccsc1C=NN[C@H]1CCCCC1(C)C 773126878 WFSJFLRQAMOFIJ-ZDUSSCGKSA-N 266.410 3.649 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CC[C@H]2SCCS[C@@H]12 773137364 PUGGSKVYLLZKSO-DGAVXFQQSA-N 271.495 3.700 30 20 CHED C=C(CC)COC(=O)CCOc1ccccc1Cl 773480198 ICGRQNRPLNGIJS-UHFFFAOYSA-N 268.740 3.618 30 20 CHED CCCCCCCN[C@H](c1cnn(C)c1)C(F)(F)F 773990967 NYSVMHQCFIXXFY-GFCCVEGCSA-N 277.334 3.584 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2cccc(C)c2C)c1 774139381 PXIMCIINERNBIY-FPLPWBNLSA-N 284.311 3.579 30 20 CHED Cc1ccc(F)c(/C=C2\CC(=O)Nc3ccccc3C2=O)c1 774144732 LDRJJXRFCDBZHI-UKTHLTGXSA-N 295.313 3.743 30 20 CHED C#CC[C@@H](NCc1cc(F)ccc1OC)c1ccccc1 775398311 GEDLRKIBVAPWDE-QGZVFWFLSA-N 283.346 3.689 30 20 CHED N#CC1(COC(=O)CCc2ccc(-c3ccccc3)o2)CC1 775827347 GCYGVVNRTPCYDO-UHFFFAOYSA-N 295.338 3.726 30 20 CHED O=C1/C(=C/c2nc3c(s2)CCCC3)Oc2ccccc21 776263258 CFYYHGINWYESMR-LCYFTJDESA-N 283.352 3.638 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)OCCC(C)(C)C#N 776383631 WOKJAZKKPXYVQI-UHFFFAOYSA-N 294.420 3.846 30 20 CHED CC(C)(C#N)CCOC(=O)c1cccc(Cl)c1F 776395521 MAHACEQRABOVAM-UHFFFAOYSA-N 269.703 3.576 30 20 CHED CCNc1ccc(C#N)cc1NCCOc1cccc(C)c1 776850235 ZAYXUVBLTQYXMD-UHFFFAOYSA-N 295.386 3.789 30 20 CHED C=C(C)CNC(=O)Nc1ccc2nc(SC)sc2c1 779389957 BIVIXCHSNYGSMV-UHFFFAOYSA-N 293.417 3.716 30 20 CHED CCn1cc(C=NN[C@H]2CCOC(C)(C)C2)c2ccccc21 780251851 FEBCKGHTJWDNCB-HNNXBMFYSA-N 299.418 3.542 30 20 CHED Fc1cc(NN=CCCCCOc2ccccc2)ccn1 781125558 ZOKUAGRWUGYPHT-UHFFFAOYSA-N 287.338 3.868 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3ccnc(Cl)c3)n2c1 782194501 PUFZXTGFFLDHQG-ONEGZZNKSA-N 297.745 3.587 30 20 CHED CCOC(=O)Nc1ccc(N[C@H](C)[C@@H](C)CC)cc1C#N 783661836 WUOQBUOMQNUYOC-NWDGAFQWSA-N 289.379 3.973 30 20 CHED CC1(C)CCC(=NNc2cc(C#N)cc(Cl)n2)C1 783862199 DJMHEGSQHSPPPE-UHFFFAOYSA-N 262.744 3.585 30 20 CHED CCC(CC)n1nccc1C(=O)OCCCC(C)(C)C#N 784266894 WGUNARALEUQMMV-UHFFFAOYSA-N 291.395 3.731 30 20 CHED C[C@@H](ON=C(c1ccccc1)C(F)(F)F)c1cnccn1 784673016 WMAHLDXKYASALJ-SNVBAGLBSA-N 295.264 3.521 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc2ccccc2cc1OC 787086230 MEFXEJBBCOVKKA-AWEZNQCLSA-N 283.327 3.697 30 20 CHED OC[C@@H](NN=C1CCC[C@H]1c1ccccc1)c1ccccc1 788469863 SMRPCBOJTRDPGZ-PKOBYXMFSA-N 294.398 3.633 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc2nc(C(C)C)sc2c1 789837206 ZXXONAKWLNIALL-SNVBAGLBSA-N 287.388 3.563 30 20 CHED Cc1ccc(NN=Cc2nccn2-c2ccccc2)cc1 790136173 CCYAZAZTOSLVIH-UHFFFAOYSA-N 276.343 3.627 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(Br)c2)no1 791431811 KMSILDOZQNFRLT-WAYWQWQTSA-N 292.132 3.642 30 20 CHED C=CCC1(C(=O)OCc2ncc(Cl)s2)CCC1 791559162 WFOQLSKECLLKJD-UHFFFAOYSA-N 271.769 3.586 30 20 CHED CC1(CNN=CC2=Cc3ccccc3OC2)CCCC1 793084413 OGYVPADHWMZYBB-UHFFFAOYSA-N 270.376 3.618 30 20 CHED C=CCCCCC[C@@H](C)NCCc1nccs1 793529778 VCECPTPPAAAMSJ-CYBMUJFWSA-N 252.427 3.800 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)C1CCOCC1 793532537 MKJUIPGXUOWVEY-HUUCEWRRSA-N 253.430 3.916 30 20 CHED O=C(/C=C\c1cscc1Cl)c1ccnc(F)c1 794717962 DNHPEEGWHCQWBQ-UPHRSURJSA-N 267.712 3.832 30 20 CHED COC(=O)c1csc(C(=O)/C=C\c2ccccc2C)c1 794724337 FQUMPEFLCKSBAK-FPLPWBNLSA-N 286.352 3.739 30 20 CHED CC(C)=NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 794982136 SQGROILMECVNLE-UHFFFAOYSA-N 294.280 3.970 30 20 CHED C=CCNN=C(C)c1sc(-c2ccc(C)cc2)nc1C 794992827 JMXSPAAXGZKDHE-UHFFFAOYSA-N 285.416 3.927 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1ccc(F)cc1Cl 796860088 HOJMKRFSDFAQLV-QMMMGPOBSA-N 293.681 3.862 30 20 CHED C=C[C@](C)(CC)C(=O)OCCCCC1CCOCC1 798653516 NDNKQZQHDRPGPP-MRXNPFEDSA-N 268.397 3.729 30 20 CHED CCCCCCCS(=O)(=O)N(C1CC1)[C@H](C)C1CC1 799759293 LIJKPVCQHGUUTK-CYBMUJFWSA-N 287.469 3.550 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)c2ccsc2)c1 801609965 FQVSSFGLZHJWDS-NSHDSACASA-N 270.357 3.612 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc(C)cc1Cl 802819591 ZKVQXQUXDWXDLM-CQSZACIVSA-N 265.740 3.632 30 20 CHED C=C(CNC(=O)Nc1cccc(Cl)n1)c1ccccc1 806334365 FIRDFSNTLGBUET-UHFFFAOYSA-N 287.750 3.570 30 20 CHED Oc1ccc(Cl)cc1/C=N\[C@@H](C1CC1)C(F)(F)F 806550481 CSXPQWWAJWYYSS-XGOHCEGFSA-N 277.673 3.805 30 20 CHED C#Cc1cccc(NCc2ccc(OC)c(OC)c2C)c1 808402323 ADXFRUDYHMCQJC-UHFFFAOYSA-N 281.355 3.606 30 20 CHED C=CCN(CC[C@H](O)c1ccccc1)Cc1ccccc1 808707237 ITIZBRSEIFTBSL-IBGZPJMESA-N 281.399 3.798 30 20 CHED C[C@@H]1/C(=C\c2ccc(O)cc2)C(=O)c2ccccc21 809159248 LQISQVOAEPHMLC-YAFRSCOQSA-N 250.297 3.776 30 20 CHED C#Cc1ccc(CNC[C@@H](SC)C(C)(C)C)cc1 809639552 WWDYEOBUXILIBK-OAHLLOKOSA-N 261.434 3.535 30 20 CHED CC(=NNc1ccccc1F)[C@@H](C)NC(=O)OC(C)(C)C 811637051 PTOXVXWCQXJMMS-SNVBAGLBSA-N 295.358 3.527 30 20 CHED CC(=NOC/C=C/Cl)c1c(C)nn(C(C)C)c1C 811669812 JKAFEYYVFIPMTA-YERMKXDQSA-N 269.776 3.574 30 20 CHED Cc1cccc(C(=O)/C=C\c2cccc(F)c2C#N)c1 811686702 GPZHMGQAWJETBS-HJWRWDBZSA-N 265.287 3.902 30 20 CHED N#Cc1ccc(/C=C2\Oc3cccc(Cl)c3C2=O)cc1 811697876 NTEQHDWMSNNZKM-ZSOIEALJSA-N 281.698 3.828 30 20 CHED CC(C)OCCON=Cc1cnc(-c2ccccc2)s1 812239400 UYTGZBWYHYZZKX-UHFFFAOYSA-N 290.388 3.586 30 20 CHED N#C[C@H](C(=O)CCCC1CC1)c1nc2ccccc2o1 813061653 OOIKOVTXUFAJPZ-GFCCVEGCSA-N 268.316 3.584 30 20 CHED C(=NNc1nncc2ccccc12)c1cccc2cc[nH]c12 814703089 FZBXQBYLVDUJKJ-UHFFFAOYSA-N 287.326 3.557 30 20 CHED c1ccc2c(NN=C3CC[C@H]3C3CCC3)nncc2c1 814705917 QDYJZZRBHUENJR-ZDUSSCGKSA-N 266.348 3.608 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cccc(CO)c1 814860653 SGXICGOBORSLDO-UHFFFAOYSA-N 282.387 3.940 30 20 CHED CCc1nocc1C=NOc1ccccc1C(F)(F)F 814888114 PVHQQUYNQZTFGH-UHFFFAOYSA-N 284.237 3.669 30 20 CHED CCc1cccc(C)c1NN=C1CC[C@@H](CC(=O)O)[C@H]1C 814923297 ONSDONBSIDEGBW-OCCSQVGLSA-N 288.391 3.846 30 20 CHED CSC(C)(C)CC=NNc1ccc([N+](=O)[O-])cc1C 814931027 CTTXETHDDBJQOV-UHFFFAOYSA-N 281.381 3.833 30 20 CHED CC(=NNCC1(C)CCCC1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814937519 JJTHAMCFLALPCB-KGLIPLIRSA-N 294.439 3.669 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](c1ccccc1)C(F)(F)F 815091884 ZOLAUWZGCVJQKB-SNVBAGLBSA-N 293.235 3.618 30 20 CHED C=CCC(F)(F)C(=O)N1CCC=Cc2ccccc21 816392272 XRCRGTPZXMLXNJ-UHFFFAOYSA-N 263.287 3.648 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(F)=C1CCCC1 819736244 FWGAPDXIEJQRLM-LBPRGKRZSA-N 286.350 3.875 30 20 CHED C[C@H](NN=C(Cc1ccccc1)C1CC1)c1ccncc1 819815608 SGVSGJULLDIFOC-AWEZNQCLSA-N 279.387 3.741 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1 819951979 ITHSNMJQDPHLIQ-FRRDWIJNSA-N 282.343 3.830 30 20 CHED C[C@]1(CCOC(=O)CCCCCC#N)C[C@@]1(F)Cl 822040788 MAGJZFCEGLUNQJ-STQMWFEESA-N 275.751 3.708 30 20 CHED C#CC1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 825589798 FWEKCCWHOSVQBW-GOSISDBHSA-N 298.430 3.829 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCOc2ccccc2[C@@H]1C 826763978 TXGZASCSDWVBFT-KBPBESRZSA-N 273.376 3.571 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 826945682 ALWWKYYOJJPMCE-QGZVFWFLSA-N 297.446 3.825 30 20 CHED C[C@H](NC[C@]1(C)CC1(Cl)Cl)c1ccc(C#N)cc1 828663788 ONBZCBPPFMIRRC-GWCFXTLKSA-N 283.202 3.793 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2)s1 830244846 IKLANVQOQDBWRM-MDZDMXLPSA-N 286.352 3.905 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2sccc2OC)c1 834902252 GFMAAIXLILWIGG-LBPRGKRZSA-N 271.385 3.589 30 20 CHED C#Cc1cccc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)c1 834903994 UQDQLFWANSVLDV-LRDDRELGSA-N 295.357 3.851 30 20 CHED CO[C@H]1CC(=NNc2ccc(OC(F)F)cc2)C12CCC2 834951889 GXGRVTBDKNQMFW-ZDUSSCGKSA-N 296.317 3.645 30 20 CHED CC(C)(C)CC(=NNc1ncc(F)cc1F)C1CC1 835022085 BBVXXNKKPYQZLU-UHFFFAOYSA-N 267.323 3.974 30 20 CHED CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 836780434 VFKLAHMCWSLBSW-JKSUJKDBSA-N 274.408 3.662 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C#CC(C)(C)C)o1 837448018 WKJDZBFERFBRCC-ZFWWWQNUSA-N 287.403 3.937 30 20 CHED C#CCC1(C(=O)OCCCCCC(C)=O)CCCCC1 837659029 AGNNHIDOCRDULG-UHFFFAOYSA-N 278.392 3.653 30 20 CHED C=CC[C@H](NC(=O)N(C)C1CC(C)(C)C1)c1ccncc1 838478901 XOAAMZUAHVYJSC-HNNXBMFYSA-N 287.407 3.529 30 20 CHED C=CCONC(=O)NC1(c2ccc(Cl)cc2)CCCC1 838707833 RSEYXMPGXLWELM-UHFFFAOYSA-N 294.782 3.526 30 20 CHED CCc1sc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1C 839044952 WLMOIIFJJMZBBP-RYUDHWBXSA-N 277.389 3.858 30 20 CHED N#CC1(CCOC(=O)c2ncoc2C2CC2)CCCCC1 840577105 JQKTWJUMABFIDR-UHFFFAOYSA-N 288.347 3.573 30 20 CHED CCOC1(C/N=C/c2cc(Cl)ccc2O)CCCC1 840707519 WCEMAYIUWDEIDR-LICLKQGHSA-N 281.783 3.814 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cnc(C(C)(C)C)nc1 840716078 JCDXXZBLOPHYAZ-WAYWQWQTSA-N 270.332 3.572 30 20 CHED C/C(=C/C(C)(C)C)C(=O)Nc1nc(Cl)c(C#N)s1 841224326 KYUIVNJVJXQFGJ-ALCCZGGFSA-N 283.784 3.599 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Oc2cccc(OCC#N)c2)C1 841342247 AKGMABLUIFHGEM-KBPBESRZSA-N 287.359 3.711 30 20 CHED CC[C@@H](O)CNN=C1CCC[C@@H](c2cccc(Cl)c2)C1 841639755 UVSHAHGBQZPPBA-CZUORRHYSA-N 294.826 3.714 30 20 CHED COC(=O)c1cc(NN=C(C)CCCCC#N)ccc1C 841642665 ZAZYOPSBPDTWNG-UHFFFAOYSA-N 287.363 3.653 30 20 CHED CS[C@H](C)CCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940400 DGUNEYTXJKPJMQ-KOLCDFICSA-N 294.445 3.728 30 20 CHED Cc1c(NN=C2CC[C@H]2C2CCC2)cccc1C(=O)O 844622346 CISWTULQMIHKDS-ZDUSSCGKSA-N 272.348 3.671 30 20 CHED C=C[C@H](C)ON=C/C(C)=C\c1ccccc1COC 844625688 OOITWQYRFCKVQT-MHUGYEHMSA-N 259.349 3.813 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCC[C@H]1CC1(Cl)Cl 844960451 IZMHAIVPTJEJPI-JQWIXIFHSA-N 278.223 3.679 30 20 CHED C=C(C)CONC(=O)N[C@H](c1ccccc1)C(C)(C)C 845591058 HCJNBBGHGOGDKY-CQSZACIVSA-N 276.380 3.581 30 20 CHED CC(=O)c1ccc(C#N)cc1NC1CC2(CCC2)C1 845757135 OVWCIBRBANOKNI-UHFFFAOYSA-N 254.333 3.505 30 20 CHED COc1ccc(N[C@H](C)Cc2ccsc2)cc1C#N 846748479 QWUGFMKRFBMFLW-LLVKDONJSA-N 272.373 3.671 30 20 CHED N#C[C@H](OC(=O)CCc1c(Cl)cccc1Cl)C1CC1 847653978 HHINAGRHCKMFGO-ZDUSSCGKSA-N 298.169 3.771 30 20 CHED Cc1cc(C)c2c(c1)CCC2=NNc1nccnc1Cl 848406307 LRVOVYVFALMXNB-UHFFFAOYSA-N 286.766 3.509 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)c(C)c1 849243905 ZPEXHIUAJMPEMR-HJWRWDBZSA-N 280.371 3.810 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cn(C)c2ccccc12 851211697 BZGUTPGVFWTMBO-LBPRGKRZSA-N 284.359 3.663 30 20 CHED C#C[C@@](C)(CC)NCc1coc(-c2ccc(C)cc2)n1 852098020 CNNQLJZJNNPWGB-KRWDZBQOSA-N 268.360 3.542 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C/SCc2ccco2)C1 855438554 KLRSNAXRZVPBMK-BMGYJQCNSA-N 291.416 3.841 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(CC)s2)C1 855441068 UGXHBXGBACMUHD-GFCCVEGCSA-N 263.406 3.739 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCCN(CC2CC2)C1 856477033 LNPSLJBHCWZILP-KRWDZBQOSA-N 294.483 3.585 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)/C=C(\C)c1cccs1 857020710 IXTXCTYDYHEQBN-BYIUCRAPSA-N 294.416 3.923 30 20 CHED C#CCC1(OC(=O)/C=C(/C)c2cccs2)CCC1 857022946 JLODLZHEBNPATE-QXMHVHEDSA-N 260.358 3.641 30 20 CHED CC(C)(CCC#N)COC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 860735617 LXISKNWZFDNJKW-HEHGZKQESA-N 263.381 3.686 30 20 CHED C#C[C@H](OC(=O)CCC(F)(F)F)c1ccc(C)cc1 860964330 NGBVOTISMFDBGJ-LBPRGKRZSA-N 270.250 3.555 30 20 CHED CCCCCCCNC(=O)C1CCC(F)(F)CC1 862358024 QKRGENXQIRYYPF-UHFFFAOYSA-N 261.356 3.899 30 20 CHED C[C@H](NN=Cc1c(F)ccc(F)c1Cl)C(C)(C)C 863115019 XNTDQCIEVYXHOT-QMMMGPOBSA-N 274.742 3.976 30 20 CHED Fc1cccc(NN=C2CCC23CCOCC3)c1Cl 863158713 MYMBLHGZFZKKGU-UHFFFAOYSA-N 282.746 3.838 30 20 CHED C=CC(C)(C)CC(=O)N(CC)Cc1cccs1 877974230 QURIYFVPHNADNT-UHFFFAOYSA-N 251.395 3.699 30 20 CHED C=CC(C)(C)CC(=O)NC1(c2ccccc2F)CC1 878894348 CEMWPPCDSXQDEG-UHFFFAOYSA-N 261.340 3.533 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccccc1)CC(F)F 889289333 BCCJWRSATTYLHI-UHFFFAOYSA-N 281.346 3.883 30 20 CHED Cc1cc(F)ncc1CN(Cc1ccc(C#N)cc1)C(C)C 891622226 DWPUSKRVAVTCAB-UHFFFAOYSA-N 297.377 3.811 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc(NC(=O)N(C)C)c1 894742293 CKIBJFFKQWABLX-GFCCVEGCSA-N 288.395 3.520 30 20 CHED CSC1(CNC[C@@H](C)CCC#N)CCCCC1 895811526 FNXGDFOMELJMQP-ZDUSSCGKSA-N 254.443 3.582 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1ncccc1Cl 901171080 YFRRHTRGTRSWNX-UHFFFAOYSA-N 291.786 3.575 30 20 CHED CCCCOc1ccccc1NCc1cc(C#N)ccn1 901383930 ZFJQWCJMKPWBNV-UHFFFAOYSA-N 281.359 3.744 30 20 CHED CC[C@@H](NC[C@@H]1CCCSC1)c1cccc(C#N)c1 902990192 SUPFTNRFCWXMRD-GOEBONIOSA-N 274.433 3.742 30 20 CHED CC(C)(C#N)CN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 903102039 QHJRHYADVHBBLP-CYBMUJFWSA-N 297.324 3.617 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(Cc2ccccc2CC)no1 903673942 OCCXSSFEOFBKEW-NVXWUHKLSA-N 298.386 3.671 30 20 CHED CCCCCCCC[C@@H](N)c1nc(-c2ncoc2C)no1 904706887 FUBSVYICIPURGC-GFCCVEGCSA-N 292.383 3.783 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](C)OC[C@@H]1C 914498425 ZNODZMGGZKNEIA-LSDHHAIUSA-N 269.429 3.763 30 20 CHED CCCNN=C(C)c1ccc(OC)c2ccccc12 915964802 PDQHSRAEEHMEOQ-UHFFFAOYSA-N 256.349 3.572 30 20 CHED CCc1ccc(C/N=C\c2cccc(OC)c2O)s1 915979997 VZKWJNMTNILLKQ-SXGWCWSVSA-N 275.373 3.644 30 20 CHED FC(F)Oc1ccccc1C=NNc1ccccc1 916246010 TWZIBYVSOZSQNA-UHFFFAOYSA-N 262.259 3.734 30 20 CHED C#CCOc1ccccc1C=NNc1ccccc1Cl 916262504 NWTOICNVLJRMTK-UHFFFAOYSA-N 284.746 3.798 30 20 CHED CCc1ccc(C(C)=NNc2ccc(Cl)nn2)cc1 916287984 KMKOXHNXRGZPCQ-UHFFFAOYSA-N 274.755 3.529 30 20 CHED Cc1[nH]c2ccccc2c1C=NNCc1ccccc1 916344305 RIJMTGLXKGTOPV-UHFFFAOYSA-N 263.344 3.600 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)CSc2ccccc21 917517912 UDRQLDFUPVEOIE-UVTDQMKNSA-N 294.375 3.994 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccc2c(c1)CCO2 917518824 BGPWXNWIIKTBJT-XQRVVYSFSA-N 294.350 3.835 30 20 CHED C#CCN(CC)Cc1c(-c2ccccc2)nc2sccn12 919898926 NADNOYVTXDUJPF-UHFFFAOYSA-N 295.411 3.518 30 20 CHED Cc1cc(/C=C2\Cc3c(F)cccc3C2=O)cc(C)c1O 921263924 LBBNMGBSSDKMGZ-MDWZMJQESA-N 282.314 3.971 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)[C@H](c1ccccc1)N(C)C 926197514 ZHYJTTKNDPSYQP-BFYDXBDKSA-N 287.451 3.596 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 928245859 XCKHCQRRXSBDLJ-GFCCVEGCSA-N 288.347 3.518 30 20 CHED C[C@H](CC(=O)NCc1ccc(C#N)c(F)c1)c1ccccc1 1144429887 HTTKEZGSBOJVIK-CYBMUJFWSA-N 296.345 3.507 30 20 CHED Cc1cc(C)c(/C=C/CN(C)C[C@@H](C)C#N)cc1C 1204826549 LXAVBKPQRKLAIL-YBJDMEARSA-N 256.393 3.717 30 20 CHED N#Cc1c(CN2CC[C@H]3CCCC[C@H]3C2)cn2ccccc12 1317858933 NJUMROXOFAUBNV-CVEARBPZSA-N 293.414 3.823 30 20 CHED CCOc1ccc(C=Nc2cc(F)cc(OC)c2)c(O)c1 1319101906 XCWMYMOATWYJHS-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CCOC(=O)C(F)(F)[C@@H]1CCCC(=NOC(C)(C)C)C1 1319582775 FOUWVVXNAVDRCH-SNVBAGLBSA-N 291.338 3.546 30 20 CHED CC(=NNc1ccn(C)n1)c1cc2cc(Cl)ccc2o1 1320814883 SHQJHEWKKLWOQJ-UHFFFAOYSA-N 288.738 3.656 30 20 CHED CC(C)(C)c1ccc(NN=CC2Cc3ccccc3C2)nn1 1320926815 VOTMCESOJQDPJM-UHFFFAOYSA-N 294.402 3.587 30 20 CHED Cc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1N1CCCC1=O 1322130847 XUNAPYFOELERLG-GJZGRUSLSA-N 297.402 3.616 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccn(C2CCCCC2)n1 1327997182 OSGOFNNOUSBSFG-UHFFFAOYSA-N 275.396 3.929 30 20 CHED N#Cc1ccc(CC(=O)OCc2ccccc2C2CC2)cc1 1329978030 NUGNFBFRDKWKLX-UHFFFAOYSA-N 291.350 3.722 30 20 CHED CCCC1(c2nnc(-c3cccc(C#N)c3)o2)CCC1 1330056276 ONSAKAZBHGWIFZ-UHFFFAOYSA-N 267.332 3.830 30 20 CHED CC(C)(C)c1cccc(C(=O)OCc2ccc(C#N)cn2)c1 1332868908 KNMVJLIWUJPKAS-UHFFFAOYSA-N 294.354 3.608 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCCOc1ccccc1 1333555796 RDMRWKXKFRXPBE-OAHLLOKOSA-N 274.408 3.764 30 20 CHED Cc1cc(CSCc2cc(C#N)ccn2)ccc1N(C)C 1334706092 LWGAXOUFERATMF-UHFFFAOYSA-N 297.427 3.761 30 20 CHED C=C(C)CCC(=O)Nc1cc(NC(=O)CC)ccc1C 1337012356 RZICKXPHIOWYDV-UHFFFAOYSA-N 274.364 3.638 30 20 CHED C=C(C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1337078916 RLKKGIDYVYRZTP-UHFFFAOYSA-N 288.435 3.846 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1c1ccccc1OC 1337113623 GWNOVKCWHRIDRX-HNNXBMFYSA-N 273.376 3.715 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)Cc1ccc(Cl)c(Cl)c1 1339199018 ZGUITWROXPVGSE-NSHDSACASA-N 299.201 3.687 30 20 CHED CCOc1cccc(C=NNc2ccc(C(C)(C)C)nn2)c1 1339230222 HHFLKGANTYBTLL-UHFFFAOYSA-N 298.390 3.619 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)Cc1ccco1)c1cccs1 1343902490 UFMFTFFSUDYZKF-ABAIWWIYSA-N 289.356 3.718 30 20 CHED N#CCOc1cccc(CN[C@@H]2CCC[C@@H]2CCCF)c1 1344652223 XFNOMFZAILKHOP-NVXWUHKLSA-N 290.382 3.597 30 20 CHED C#CCC[C@@H](C)OC(=O)CCc1nc2ccccc2s1 1345801990 SMOPEEHFZYEROB-GFCCVEGCSA-N 287.384 3.574 30 20 CHED C=CCC[C@@H](C(=O)OCc1conc1C)c1ccccc1 1346758120 QRVBRXJRJACDKY-MRXNPFEDSA-N 285.343 3.776 30 20 CHED Cn1c(Cl)cnc1[C@@H](C#N)C(=O)CC1CCCCCC1 1349701625 HNZKNYPVBUIHKI-LBPRGKRZSA-N 293.798 3.610 30 20 CHED C=C(C)CCC(=O)N(Cc1ccccc1OC)C1CC1 1353538747 AHCDQZQGISDGRW-UHFFFAOYSA-N 273.376 3.543 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)cc1F)C1CCCC1 1436676845 WKKMTFRNDPNKKY-MRXNPFEDSA-N 288.366 3.786 30 20 CHED CC(C)(C)C1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 1447753984 SWFNFBJKCKPCJB-QGZVFWFLSA-N 298.430 3.969 30 20 CHED C[C@H](c1nccc2ccccc12)N1CCC[C@@H](C#N)C1 1474703819 DHYQXJOZVYAUHZ-KGLIPLIRSA-N 265.360 3.531 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c1 1476739545 KPEZRSHVYDOHQE-CWRNSKLLSA-N 297.402 3.815 30 20 CHED N#Cc1cnc(NCc2cccc(C(F)F)c2)c(F)c1 1559166065 WASKCMDCZOLNKT-UHFFFAOYSA-N 277.249 3.642 30 20 CHED N#Cc1cc(NC[C@@H]2CCCC[C@H]2c2ccccc2)ncn1 1559190566 VSRJNDLGMGBDAJ-RDJZCZTQSA-N 292.386 3.734 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)N2CCC(CC#N)CC2)c1 1564479414 JTVGIQDQGYTHMJ-OAHLLOKOSA-N 299.418 3.700 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2cc(C(=O)O)cs2)c1 1607789554 UGDDHXKGZXXERX-HWKANZROSA-N 290.315 3.790 30 20 CHED C=C(Cl)CN(C)Cc1ccc(Br)cc1F 1620475699 JPNXEEPCJGKRAW-UHFFFAOYSA-N 292.579 3.773 30 20 CHED C[C@@H](c1nccc2ccccc12)N1CCC[C@@](C)(C#N)C1 1621196755 MHTZPRJTTFJHPA-KSSFIOAISA-N 279.387 3.921 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@H](F)CC2CCCCC2)c1 1624291880 VSUKPCJIDXAGTH-OAHLLOKOSA-N 292.329 3.944 30 20 CHED Cc1cc(N(C)CCC2CCCCC2)ncc1C#N 1639394094 RRVOKYROGWOBRY-UHFFFAOYSA-N 257.381 3.668 30 20 CHED N#Cc1nc(Oc2cccc(F)c2)sc1Cl 1641978664 FJHLZBXHDDCEFK-UHFFFAOYSA-N 254.673 3.600 30 20 CHED CC(C)[C@H]1N(Cc2cccc(F)c2C#N)CC12CCC2 1652556395 OYTVKNVKEFHIER-MRXNPFEDSA-N 272.367 3.708 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2Cc2cccc(C#N)n2)c1 1657328894 ZGIZVENSPRYMAN-IBGZPJMESA-N 291.398 3.907 30 20 CHED CCNc1ccccc1CNc1cc(C)cc(C#N)c1 1658122850 KDDZTEPRLXPJJV-UHFFFAOYSA-N 265.360 3.911 30 20 CHED Cc1cc(C)c(/C=C\CN(CCC#N)CCC#N)cc1C 1658668901 NRCZRKXGPIBKRY-DAXSKMNVSA-N 281.403 3.754 30 20 CHED Cc1scc(C=NNc2ccccc2C(=O)O)c1C 1776031195 RRGPPXRBGTYHBQ-UHFFFAOYSA-N 274.345 3.509 30 20 CHED C=CCC[C@H](C)N1CCC([C@@H]2CCC[C@H]2C(=O)O)CC1 1776166376 WEPBDIHGJXIEII-CWRNSKLLSA-N 279.424 3.554 30 20 CHED C=CCc1ccccc1OCCOc1ccc(C#N)cc1 11833016 FALVBXBRVMATSN-UHFFFAOYSA-N 279.339 3.745 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)c1ccc2ccccc2c1 16011571 SUEOJYOCGLHMRM-UHFFFAOYSA-N 286.334 3.988 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)OCc1ccccc1C#N 16296314 PJFQPMHLHKRRLR-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(C#N)cc1 20126465 ZMOQRXUQCWTVHE-ZDUSSCGKSA-N 277.327 3.634 30 20 CHED Cc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 41545228 TZUPRMKQQCCFJB-ZDUSSCGKSA-N 276.295 3.626 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2C2CCCC2)c(F)c1 44352393 YMBMKAICDQJVFT-KRWDZBQOSA-N 272.367 3.852 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(OC)c(Cl)c1 44764690 QIIFKNSAVWKJQL-UHFFFAOYSA-N 280.755 3.617 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1c1ccccc1Cl 48566513 ITMRXCRUBXCXFX-OAHLLOKOSA-N 283.762 3.948 30 20 CHED N#Cc1cc(NC(=O)c2ccc(Cl)s2)ccc1F 51637448 HFEPPRBWFOOIMA-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=C(Br)CN(Cc1ccc(C#N)cc1)C(C)C 58396948 NYYLCRYUXLHZSL-UHFFFAOYSA-N 293.208 3.677 30 20 CHED Cc1ccc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)cc1 60528924 RVQBVJJIOXIUHD-MDZDMXLPSA-N 268.360 3.912 30 20 CHED CN(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1 61850949 CQXHGBXZUORCRK-UHFFFAOYSA-N 274.726 3.987 30 20 CHED C[C@@H](CCNc1cc(C#N)ccn1)c1ccccc1 61910890 DKOIZJKVLXEZQW-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED N#Cc1ccc(NC(=O)NCCc2ccccc2Cl)cc1 62648303 ZNCKDQCUYWXRLI-UHFFFAOYSA-N 299.761 3.576 30 20 CHED CC(C)(C)c1ncc(C(=O)Nc2ccc(CC#N)cc2)s1 67477759 TZJPCPVZCHSWCV-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C[C@@H](Sc1ccc(C#N)cn1)c1ccc(F)cc1 74232714 FTCJSCIQIWFGNQ-SNVBAGLBSA-N 258.321 3.946 30 20 CHED C[C@@H]1CN(CCCCC#N)c2cc(Cl)ccc2O1 76005622 SQBYRYJTZUMNKB-LLVKDONJSA-N 264.756 3.621 30 20 CHED CS[C@@H]1CC[C@H](Nc2ccc(Cl)cc2C#N)C1 78477225 HIEZKPOZGZLGLP-NWDGAFQWSA-N 266.797 3.908 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1ccc(Cl)cc1 83076400 JGJZDFWHYWFDHJ-SFHVURJKSA-N 283.824 3.919 30 20 CHED C[C@H]1CCC[C@@H](NC2CC(C#N)(c3ccccc3)C2)C1 86036692 IKVKHJLHRFRLQH-VFPGXZCRSA-N 268.404 3.779 30 20 CHED Cc1cc(=O)oc2cc(OCCCC(C)(C)C#N)ccc12 87608925 KXKWMADFJKGIBR-UHFFFAOYSA-N 285.343 3.810 30 20 CHED COc1ccc(CNc2ccccc2SC)cc1C#N 87823211 ITCFMTQSYRGSLQ-UHFFFAOYSA-N 284.384 3.901 30 20 CHED COc1ccc(OCCC2(C#N)CCCCC2)cc1 88415822 OLPUIWAUVQUBRJ-UHFFFAOYSA-N 259.349 3.938 30 20 CHED O=C(/C=C/c1ccn(-c2ccccc2)n1)c1ccccc1F 90987815 LMASTYUTYPRTCC-ZHACJKMWSA-N 292.313 3.908 30 20 CHED CCC1(CC)CCN(c2nc(C(F)(F)F)ccc2C#N)C1 94802826 HROWZXPOHGLCFU-UHFFFAOYSA-N 297.324 3.989 30 20 CHED CCOc1ccccc1CNc1ccc(F)cc1C#N 97635477 OLDYGIPUNJYMLM-UHFFFAOYSA-N 270.307 3.708 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 107086122 VJFCVNRQTPAFRP-LSDHHAIUSA-N 296.757 3.954 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cn2ccccc2c1C#N 109813616 HQSLHJNBPNHVSX-UHFFFAOYSA-N 294.402 3.573 30 20 CHED C=CC1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC1 111257150 NZPSLBYSTQKCHG-HNNXBMFYSA-N 286.419 3.528 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(OCC)cc2)CC1 111700374 VJXMUKIDILKOIK-UHFFFAOYSA-N 274.364 3.515 30 20 CHED CCOc1cccc(/C=C/C(=O)c2occc2C)c1 119019808 IABBXEXNPMKQMR-BQYQJAHWSA-N 256.301 3.883 30 20 CHED C#CCCOc1ccc(CNc2ccccc2COC)cc1 119442400 SFMVJCIWRPSOER-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C=CCC[C@@H](NCc1ccc(OC)c(F)c1)C1CC1 119985523 CSARUNVCBLKLSH-OAHLLOKOSA-N 263.356 3.669 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(F)ccc1OC(F)F 121688005 VRAMOEIPMHWYHU-MRVPVSSYSA-N 288.269 3.513 30 20 CHED N#Cc1ccc(CNc2ccc(-c3ncco3)cc2)cc1 122221834 CMFJYRSLKUGCLR-UHFFFAOYSA-N 275.311 3.825 30 20 CHED Cc1c([C@H](C)NCC(C)(C)C#N)oc2ccccc12 122252406 CZJLMEFLWBSECT-LBPRGKRZSA-N 256.349 3.942 30 20 CHED CCC[C@H](C(=O)Nc1cc(C#N)ccc1C)C(C)C 123438209 QYLMQLIPFJQGOL-AWEZNQCLSA-N 258.365 3.878 30 20 CHED C=CCN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 125673105 IMEDMDGWCAQWDF-ZDUSSCGKSA-N 281.831 3.824 30 20 CHED C=CCC[C@@H](C)N[C@H]1CCCN(Cc2ccccc2)C1 130551069 MUVHOMYAXXTBRH-AEFFLSMTSA-N 272.436 3.595 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccc(C(C)C)nc1 131576056 GCRKIBHBINMLHZ-UHFFFAOYSA-N 294.354 3.742 30 20 CHED C=CCCOCC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 138339199 DBSWAXULOBXKON-INIZCTEOSA-N 295.810 3.746 30 20 CHED CCCCCCCC(=O)OCc1ccccc1C#N 139374526 QHEONOTYQVCRPI-UHFFFAOYSA-N 259.349 3.962 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C1(C)CCCCC1 153419940 CGGBCSZFSLDSDM-ZDUSSCGKSA-N 286.375 3.886 30 20 CHED C#CCCCCNC(=O)Nc1cc(-n2cccc2)ccc1F 153452244 SXDAXRCSGFBUJL-UHFFFAOYSA-N 299.349 3.541 30 20 CHED CCc1noc(C)c1CSc1nc(C)cc(C)c1C#N 154656349 IKYKZIKBXJSIPW-UHFFFAOYSA-N 287.388 3.721 30 20 CHED C#CCCCCNC(=O)C(C)(C)CCCc1ccccc1 156385428 VMWYEXPUHDXZDA-UHFFFAOYSA-N 285.431 3.955 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](c1ccccn1)C(F)(F)F 160187724 JIQQMDUDCMQDLR-CYBMUJFWSA-N 299.292 3.997 30 20 CHED N#Cc1cc(CN(Cc2cccs2)C2CC2)ccc1F 160754342 QATINUVQYIIAEJ-UHFFFAOYSA-N 286.375 3.923 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 161222256 GTDNXSBIFZCFNI-SFHVURJKSA-N 294.398 3.912 30 20 CHED CCCC(CCC)C(=O)N(C)Cc1ccc(C#N)cc1 163170031 GEUYMROXYBWNHH-UHFFFAOYSA-N 272.392 3.733 30 20 CHED N#CCC[C@@H](Nc1ncnc2c1CCCC2)c1ccccc1 164309180 INPUKKWMRXTEPZ-MRXNPFEDSA-N 292.386 3.812 30 20 CHED C[C@@H](Nc1c(Cl)cccc1C#N)c1ccccn1 171808104 SOQXRQVOPRRJPA-SNVBAGLBSA-N 257.724 3.780 30 20 CHED C=CCCCC(=O)NCCSCc1ccccc1F 175125351 QPLOKWQDUNPTPC-UHFFFAOYSA-N 281.396 3.531 30 20 CHED COc1ccc(F)cc1C(=O)O[C@H](C)c1ccc(C#N)cc1 175755112 WPNRQDIQIOTCIN-LLVKDONJSA-N 299.301 3.624 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C(C)=C1CCCC1 176579379 OJWKSGZZHGJSPG-UHFFFAOYSA-N 284.359 3.786 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1OC 177860913 NCNCPXFKGSGNGS-QGZVFWFLSA-N 298.361 3.947 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)Cc1ccc(C#N)cc1 178327964 HLVKZFMDVZSAMO-UHFFFAOYSA-N 286.419 3.631 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2cccc(C#N)c2C)cc1 178538185 AGJHVRMLCAMBNP-UHFFFAOYSA-N 293.370 3.839 30 20 CHED COC[C@H](C#N)Nc1cccc(COc2ccccc2)c1C 181337662 GKPXSOVYXDJCEX-INIZCTEOSA-N 296.370 3.525 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 182008210 UOAAJLFJIOLBEY-CABCVRRESA-N 272.392 3.984 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1cccc(F)c1 182629795 PCOJNSMQGGVDQG-OLZOCXBDSA-N 263.356 3.790 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 184974474 VKUDSTLTIVEAJL-LLVKDONJSA-N 295.329 3.515 30 20 CHED C#CCOc1ccccc1NC(=O)c1ccc(C)c(C)c1 187159548 LYIOROGYNABBMO-UHFFFAOYSA-N 279.339 3.568 30 20 CHED C=C(C)CN(C)Cc1cc(-c2ccncc2)ccc1OC 187365450 NVMWUDKPNGCQRP-UHFFFAOYSA-N 282.387 3.765 30 20 CHED N#Cc1ccc(OC[C@H](O)CC2CCCC2)cc1Cl 188632900 ALPSAHPBBUTODX-CYBMUJFWSA-N 279.767 3.532 30 20 CHED CCCCCCCCC[S@](=O)Cc1cc(C)no1 190733756 PHBNDPPUVIWPFE-SFHVURJKSA-N 271.426 3.982 30 20 CHED CCOc1cccc(/C=N/c2ccccc2CCOC)c1O 191696931 OBFNNBGQJLSNMO-CPNJWEJPSA-N 299.370 3.730 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cnn(-c3ccccc3F)c2)C1 193103542 KOURDMZVAHIQJU-CHWSQXEVSA-N 284.338 3.506 30 20 CHED CSCc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 193327560 AGGXLCFMYBDCNV-CJNGLKHVSA-N 274.433 3.722 30 20 CHED CCC1CC(=O)C(=CNc2cccc(C)c2C)C(=O)C1 194955589 GMWSUOVWQCECOR-UHFFFAOYSA-N 271.360 3.557 30 20 CHED CCCC[C@@H](CCC)Nc1nccc(C#N)c1[N+](=O)[O-] 230186157 NMXVMNBIGUFFPN-GFCCVEGCSA-N 276.340 3.632 30 20 CHED CS[C@H]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)C1 235167336 JMLCBVNPHMYJSY-OCCSQVGLSA-N 264.369 3.783 30 20 CHED C[C@H]1CCC[C@H](CNc2nc(Cl)c(C#N)s2)C1 235657865 LRDMZFQIBRNPNN-IUCAKERBSA-N 269.801 3.906 30 20 CHED C#CCOc1ccccc1CNC[C@@H]1C[C@@H]1c1ccccc1 236688093 NKLDGNWGYMMYJQ-RBUKOAKNSA-N 291.394 3.592 30 20 CHED CCn1cc(C(=O)/C=C\c2cc3ccccc3o2)cn1 254986270 WPZKXAAWFWPGNP-FPLPWBNLSA-N 266.300 3.545 30 20 CHED COc1ccc(/C=C\C(=O)c2cnccn2)c2ccccc12 255371025 KOPNWRSLTLYMCY-VURMDHGXSA-N 290.322 3.535 30 20 CHED C=C1CCN(Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 264466352 LZSUTYMYCIMZOQ-UHFFFAOYSA-N 283.371 3.562 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(OC(F)F)cc1)OCC 270132969 PJNGXLHFTHIAJJ-ZDUSSCGKSA-N 299.317 3.598 30 20 CHED C=C(C)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273515560 PFUCTCIXJITUSH-HOTGVXAUSA-N 263.356 3.554 30 20 CHED CCCCCCCCC(=O)N[C@@H](CCO)c1ccco1 274545381 LNXJUNUDUVBYDJ-AWEZNQCLSA-N 281.396 3.570 30 20 CHED N#Cc1ccc(NC2CC(F)(F)C2)c(C(F)(F)F)c1 276970163 DPAYJRXMWGJWJZ-UHFFFAOYSA-N 276.208 3.787 30 20 CHED Cc1nc(-c2ccc(NC(=O)CC(C)(C)C#N)cc2)cs1 278187750 DODXICBXLNQQMX-UHFFFAOYSA-N 299.399 3.997 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2coc3ccccc23)C1 278780748 PSVQOHYCORINKA-GXTWGEPZSA-N 254.333 3.605 30 20 CHED CC[C@H](Nc1cnn(CC(F)F)c1)c1ccc(C#N)cc1 278904392 ZREOOEIAYJONJX-AWEZNQCLSA-N 290.317 3.583 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCCC3(CC3)C2)cc1 281649703 RHOZERGOAPJHGO-UHFFFAOYSA-N 282.387 3.504 30 20 CHED C=CCNC(=O)Nc1ccc(N2CCCCCC2)cc1C 287197455 LMVLMCLPOUKVOL-UHFFFAOYSA-N 287.407 3.683 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1ccc(F)cc1O 287644368 USYAOFJAXBHIKO-MJEQTWJJSA-N 293.382 3.553 30 20 CHED CC(C)(C#N)CCNc1cccc(OC[C@H]2CCCO2)c1 288724095 MLMPZRNDVJEJCK-MRXNPFEDSA-N 288.391 3.596 30 20 CHED C#CCC(C)(C)c1nc(-c2c[nH]c3ccccc23)no1 289180339 WFXOHGVNMFXJIW-UHFFFAOYSA-N 265.316 3.519 30 20 CHED C#CCCCc1nc(Cc2cccc(C(F)(F)F)c2)no1 290293092 ZHQSIDFDLWBBPL-UHFFFAOYSA-N 294.276 3.635 30 20 CHED Cc1ncn(-c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)c1C 291235294 KTYYKRNQMVMECO-NVXWUHKLSA-N 294.402 3.983 30 20 CHED C[C@@H]1C[C@H]1[C@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 292191260 QYDPLRMVJPOELP-DJSGYFEHSA-N 290.794 3.847 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 292615045 BPLASJZCGNEITB-HOCLYGCPSA-N 271.404 3.993 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)Cc1ccc(C)s1 292819870 OKPLKOIXVHWVKH-LLVKDONJSA-N 265.422 3.706 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1ccccc1 293347723 BBBFDTSQPHMVJF-AWEZNQCLSA-N 279.330 3.952 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 293695205 LOFOURZGJJEKOU-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)c2nccn21 296662461 FIKJSRQWINHHLY-VNQPRFMTSA-N 280.375 3.524 30 20 CHED Cc1ccc(C[C@@H](C)Nc2ccc(C#N)cn2)c(C)c1 301216582 ZSNUQTAEZUNJKJ-CQSZACIVSA-N 265.360 3.613 30 20 CHED CCOc1cccc(CNc2cc(C(C)=O)ccc2C#N)c1 302109198 OSPVUAXXDIUDRG-UHFFFAOYSA-N 294.354 3.772 30 20 CHED C[C@@H]1CN(c2cccc(F)c2C#N)[C@@H]2CCCC[C@@H]12 302177110 NCDKAICTPSMELO-TYNCELHUSA-N 258.340 3.712 30 20 CHED CC(C)Oc1ccc(OCCOc2ccc(C#N)cc2)cc1 303676905 LEXRGZCULXVEPV-UHFFFAOYSA-N 297.354 3.803 30 20 CHED CCCC/N=C(/N)N[C@@H](C)c1ccc(Cl)cc1Cl 303703537 JMESTCPQTWBGGG-VIFPVBQESA-N 288.222 3.759 30 20 CHED CCc1cccc(N/C(N)=N/Cc2ccc3c(c2)CCC3)c1 303882830 LWGRIKWINZTYCL-UHFFFAOYSA-N 293.414 3.665 30 20 CHED C#CCCNC1(c2c(Cl)cccc2Cl)CC1 309488645 HPLQVSNCBVTRMN-UHFFFAOYSA-N 254.160 3.595 30 20 CHED C[C@H](C#N)OCCNc1ccccc1Oc1ccccc1 314155798 GKZUQSDRZDILAU-CQSZACIVSA-N 282.343 3.819 30 20 CHED C=CCC[C@@H](CO)N[C@H](CC)c1cccc(Cl)c1 321024462 OVOYKDFTEKYJHB-LSDHHAIUSA-N 267.800 3.708 30 20 CHED N#C[C@@H]1CCC[C@H]1/N=C(/O)c1ncsc1-c1ccccc1 328617309 UBNKIRLEPCATEX-QWHCGFSZSA-N 297.383 3.807 30 20 CHED COc1ccsc1C(O)=Nc1cnc2c(c1)CCCC2 329362924 CZQHUINBQHVRMW-UHFFFAOYSA-N 288.372 3.667 30 20 CHED CCC[C@@H](/N=C(/O)Cc1cncnc1)C1CCCCC1 329522030 PETOVLLXNLXRHK-OAHLLOKOSA-N 275.396 3.725 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1)Nc1ccc(F)cn1 330070071 HUYFLCIUZZBZRU-DMDPSCGWSA-N 277.343 3.515 30 20 CHED Cc1oc(C(C)C)cc1C(O)=Nc1ncn(C(C)(C)C)n1 330600318 HFERNVQULPCQFU-UHFFFAOYSA-N 290.367 3.694 30 20 CHED C[C@@H]1[C@@H](N[C@@H](C(=N)O)c2ccc(C#N)cc2)CCC[C@H]1C 330790916 ABPILIDDKVQEFT-GUYJKWIASA-N 285.391 3.549 30 20 CHED CCc1ccc(CC)c(N/C(O)=N/[C@@H]2CC[C@H](OC)C2)c1 330984298 IDRSCDDDCNFLDT-CABCVRRESA-N 290.407 3.705 30 20 CHED CC[C@H](/N=C(/O)c1cncc(OC(C)C)c1)C(C)C 331111660 ISVHTCNJAGLXJY-AWEZNQCLSA-N 264.369 3.608 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1CCCc2ccccc21 334273577 ZJDHOHNMQBFOLW-QGZVFWFLSA-N 290.366 3.811 30 20 CHED Cc1ccc(OC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1C 334399137 MFMGXZCIUTZIKU-SJORKVTESA-N 298.430 3.839 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cccc(CC#N)c2)C1 334738834 AHEMMNGXMFZGCC-XJKSGUPXSA-N 285.391 3.795 30 20 CHED Cc1cccc2c1CC[C@@H]2NCc1ccc(C#N)s1 335080555 FXOSXILBGXETDA-INIZCTEOSA-N 268.385 3.705 30 20 CHED Cc1ccc(S(=O)(=O)[C@@H](C)c2cccc(C#N)c2)cc1C 335788769 CUZFGMMEOQIBSJ-AWEZNQCLSA-N 299.395 3.710 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C)[C@H]1c1ccccc1 338129865 JFKFPTHTQUZFNS-UGSOOPFHSA-N 290.366 3.700 30 20 CHED C=CCCSCc1ccc(-n2ccnc2)cc1C 339090554 GLQVIKDYVSAZEN-UHFFFAOYSA-N 258.390 3.990 30 20 CHED N#Cc1ccc(N2Cc3cccc(Cl)c3C2)cc1 340882401 SRRSQDPHVRSCKD-UHFFFAOYSA-N 254.720 3.732 30 20 CHED CC(C)CC1(C)CCN(C(=O)NCCCCC#N)CC1 341308860 LJTCSZUVAHSILI-UHFFFAOYSA-N 279.428 3.538 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1 341752867 YZDNBNSRPMQVMC-SFHVURJKSA-N 262.356 3.725 30 20 CHED COc1ccc2oc(CNCC(C)(C)CCC#N)cc2c1 342294404 PGVFSWUPRJIJGG-UHFFFAOYSA-N 286.375 3.861 30 20 CHED C[C@H]1Cc2ccccc2CN1c1nccc(C#N)c1Cl 342837710 DXYMLYHHLQNPHO-NSHDSACASA-N 283.762 3.558 30 20 CHED N#Cc1cc(F)ccc1NCC1(c2ccccn2)CCC1 343969875 PSAQGVDXAJGAID-UHFFFAOYSA-N 281.334 3.626 30 20 CHED N#Cc1ccc(CNC2CC(c3ccccc3F)C2)s1 344185636 TXYIIURFKWWIES-UHFFFAOYSA-N 286.375 3.795 30 20 CHED Cc1csc(NC(=O)c2cccc(Cl)c2)c1C#N 344929859 PQBRWSPTEKKCFT-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCCCC#N 351196384 BPBDQZDSSSWYTL-IUODEOHRSA-N 280.799 3.699 30 20 CHED N#Cc1cc(Oc2ccc(NCc3cc[nH]c3)cc2)ccn1 353197815 XLMVHEIIODEJHS-UHFFFAOYSA-N 290.326 3.686 30 20 CHED CCS[C@H]1CCCCN(Cc2ccc(C#N)cc2)C1 353601532 AVYVNKXIKIEIHL-INIZCTEOSA-N 274.433 3.666 30 20 CHED C=C1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 354393510 RQKNZSVHZUEBJR-UHFFFAOYSA-N 295.835 3.752 30 20 CHED CC[C@H](CC#N)NCc1cnc(-c2ccsc2)s1 358293470 XAHFJWGIWYWQLL-LLVKDONJSA-N 277.418 3.653 30 20 CHED COC1CCC(C)(CN[C@H](C)c2ccc(C#N)cc2)CC1 359000654 JWLVGGXLFHTDCG-RWBZWWBESA-N 286.419 3.804 30 20 CHED C=CCOCCCSCC(=O)Nc1ccc(C)c(C)c1 359160933 YWXGCEAMLDAJEQ-UHFFFAOYSA-N 293.432 3.568 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 359392054 SJAIBEFIIDKVBU-BZUAXINKSA-N 274.408 3.521 30 20 CHED N#CCCCC(=O)Nc1cccc(C(=O)c2ccccc2)c1 360165307 XSDSOWNONKBFKH-UHFFFAOYSA-N 292.338 3.550 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 361482818 BJGZFBQIWBRQKG-BFHYXJOUSA-N 290.382 3.726 30 20 CHED C=C[C@H](C)NC(=O)N(Cc1ccco1)Cc1cccs1 362381060 VAJATKTXNAJJJV-LBPRGKRZSA-N 290.388 3.627 30 20 CHED N#Cc1cc(N2Cc3cccc(Cl)c3C2)ccc1[N+](=O)[O-] 367927353 OEISIKUTPDBVHT-UHFFFAOYSA-N 299.717 3.640 30 20 CHED COc1ccc([C@@H]2CCCN2c2cc(C#N)cc(C)n2)cc1 377138135 BSCNECCMYFNMEB-KRWDZBQOSA-N 293.370 3.612 30 20 CHED Cc1nc(N2CCCC[C@H]2C(C)C)c(Cl)cc1C#N 396116791 XKZVEEZGYABFJQ-AWEZNQCLSA-N 277.799 3.930 30 20 CHED COc1ccc(CN2CCC[C@H]2CC(C)C)cc1C#N 396871805 OMCBCVKXJXCGRR-INIZCTEOSA-N 272.392 3.577 30 20 CHED CC1(C)CCCCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 409658269 SKAJJVOMJDNAAG-UHFFFAOYSA-N 297.324 3.989 30 20 CHED C=CCC1(CNC(=O)CCc2scnc2C)CCCC1 412390127 HXVSBCNBWYJUJC-UHFFFAOYSA-N 292.448 3.637 30 20 CHED CCC1(c2ccccc2)CN(c2ncc(C#N)cc2Cl)C1 413459892 SRDZRVKWPWFXAR-UHFFFAOYSA-N 297.789 3.775 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1cc(F)ccc1F 414162756 HQVRKXOEYSKDNI-AWEZNQCLSA-N 266.335 3.945 30 20 CHED C[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1ccc(C2CC2)cc1 419567196 PZAVJKYQLICKBO-CYBMUJFWSA-N 299.418 3.816 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCCC2 424316700 BCRLIZVCVIXACX-SUNYJGFJSA-N 268.404 3.908 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(C)c(SCC#N)s1 424634960 GBNUBTXTKBFCIB-UHFFFAOYSA-N 295.433 3.608 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(Cl)o2)no1 426588101 NXKKBZIZIMILAC-UHFFFAOYSA-N 252.701 3.837 30 20 CHED CC(F)(F)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 427992690 MPPQZQBTECJJBA-UHFFFAOYSA-N 286.281 3.922 30 20 CHED CC1(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CC1 428797234 BKKGQLWUYSFSOZ-LBPRGKRZSA-N 296.292 3.576 30 20 CHED CC(C)[C@@H]1N(c2nc(C(F)(F)F)ccc2C#N)CC1(C)C 431479074 VQJIRWIMDJMNFM-LBPRGKRZSA-N 297.324 3.843 30 20 CHED CCc1ccc([C@H]2CCN(c3ccc(C#N)cn3)C2)cc1 431506939 KAVRDOJRLPEXBW-KRWDZBQOSA-N 277.371 3.510 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 431753528 ODGUQXNUPXMMGD-MQIPJXDCSA-N 290.382 3.713 30 20 CHED CC1(C)C[C@H]1NC(=O)N[C@@H](CCCC#N)c1ccccc1 431823610 RBNBCIIPBYVFMQ-LSDHHAIUSA-N 285.391 3.519 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1C[C@H]1c1ccc(F)cc1)CCC2 432941178 ZRUSFDCEWKSATP-DOTOQJQBSA-N 293.345 3.549 30 20 CHED Cc1cc(OCC(=O)Nc2cccc(C)c2C)ccc1C#N 434648730 NUNYYDRGMWVLDB-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C)c(C)c2O)n1 436565588 NQVGKNUGIIQNDH-UHFFFAOYSA-N 272.348 3.913 30 20 CHED C=CCC[C@H](C)Nc1ccc(C(=O)NC(C)(C)C)cc1 437135905 KFZLKEOVCZRVTD-ZDUSSCGKSA-N 274.408 3.982 30 20 CHED CC(C)C1CCN(Cc2cn3ccccc3c2C#N)CC1 441449586 PKHNWTILDDCQCP-UHFFFAOYSA-N 281.403 3.679 30 20 CHED COc1cc(CN(C)C[C@@H](C)c2ccccc2)ccc1C#N 442882116 CINFVZXNNLXLMG-OAHLLOKOSA-N 294.398 3.802 30 20 CHED C=C(C)CN(C)C(=O)NCC[C@@H](C)CC(C)(C)C 443165529 GZERDDSOOCIXTF-CYBMUJFWSA-N 254.418 3.666 30 20 CHED C=CC[C@@H]1N(Cc2ccc(C)cn2)CCCC1(C)C 444787801 SHMVGOVCTWFGSP-INIZCTEOSA-N 258.409 3.957 30 20 CHED N#Cc1cc(NC(=O)c2ccc(C3CC3)cn2)ccc1Cl 445675133 MFUGNCKIACSZLQ-UHFFFAOYSA-N 297.745 3.736 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](OCC)c1ccccc1 446848631 SWWTXROVPYUJIS-YQQAZPJKSA-N 261.409 3.955 30 20 CHED C=CCCCCNCc1ncc(C(C)(C)C)s1 447899207 RLPSQOYYXSCRQW-UHFFFAOYSA-N 252.427 3.887 30 20 CHED CC1(C#N)CCC(NCCc2ccccc2Cl)CC1 449107273 OVMVYSACPWZAIB-UHFFFAOYSA-N 276.811 3.945 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](CC)COCC(F)(F)F 449379839 KHXPHFKYZBZMRA-SDDRHHMPSA-N 267.335 3.534 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H]2SCC)CCCC1 450090096 UDWYZYOWROCLER-ZIAGYGMSSA-N 281.465 3.913 30 20 CHED Cc1ccc(C[C@H]2CCCN2CC2(C#N)CCC2)cc1 450404806 PAXMWVKEAUHOKP-QGZVFWFLSA-N 268.404 3.696 30 20 CHED CN(CC1(C#N)CCC1)[C@H]1CCCC[C@H]1C(F)(F)F 451050102 MRWWZFFAHYNOGG-NEPJUHHUSA-N 274.330 3.733 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1NC 451608132 NFAPWXOTPIDWGU-CYBMUJFWSA-N 273.380 3.611 30 20 CHED C=C[C@H](CC(=O)NC[C@H](OC)[C@H](C)CC)c1ccccc1 452411135 LTLJHDCTJRQZIL-INMHGKMJSA-N 289.419 3.524 30 20 CHED CCC[C@@H](OC)c1noc([C@@H](C)c2cccc(C#N)c2)n1 453218409 LDFZFTDVCJGUNQ-SMDDNHRTSA-N 285.347 3.581 30 20 CHED C=CCCc1noc([C@H]2C[C@@H]2c2sccc2C)n1 453238610 QTJZARRZSIUIMO-QWRGUYRKSA-N 260.362 3.829 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(COC(C)C)cc1 454572804 MPDDNJIWNWJRJY-UHFFFAOYSA-N 290.407 3.945 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc2oc(CC)nc2c1 454815662 QTJZIAUKPPGRQC-UHFFFAOYSA-N 287.363 3.724 30 20 CHED C=CC(C)(C)CNC(=O)C1(Cc2cccc(Cl)c2)CC1 456119786 JIOLVIJNMUJGLI-UHFFFAOYSA-N 291.822 3.991 30 20 CHED C=CCC1(CNC(=O)c2ncccc2Cl)CCCC1 456500643 DIIPWGPVNLBFFH-UHFFFAOYSA-N 278.783 3.601 30 20 CHED CC[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C1CCCC1 456663977 QIYLHLIGFVXCAI-CXAGYDPISA-N 284.403 3.747 30 20 CHED C[C@H](C(=O)NCC(C)(C)CC#N)c1ccc2ccccc2c1 457991870 JXFDKCDJQNQCGL-AWEZNQCLSA-N 294.398 3.999 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 459008649 LLEXTLBMNGDZNM-YHUYYLMFSA-N 291.439 3.679 30 20 CHED N#Cc1ncccc1N1CCC(CCc2ccccc2)CC1 460426997 AYLGMGHKTCJNSB-UHFFFAOYSA-N 291.398 3.802 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 462909865 FWIUMEGQMGIKCE-RRFJBIMHSA-N 269.392 3.951 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(CC(C)(C)C)no1 463057968 TTZBJCPYMYPVSA-NSHDSACASA-N 269.348 3.682 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 465117591 UVHVRSITDZRRBO-CYBMUJFWSA-N 292.338 3.655 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 465166865 SGJAVZRBDYGIMU-ZDUSSCGKSA-N 297.358 3.878 30 20 CHED CC#CCCCC(=O)Nc1ccnc(-c2ccccc2)c1 466237211 BHUHXYUOAOSXDQ-UHFFFAOYSA-N 278.355 3.881 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1c(F)ccc(OCC)c1F 466870544 MXIBORDAHUOIQL-JTQLQIEISA-N 283.318 3.904 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)COc1cccc(C)c1 467814677 ZCILAUPRGATGSH-OAHLLOKOSA-N 287.403 3.647 30 20 CHED C=C(C)CN(CC)C[C@H](O)Cc1ccc2ccccc2c1 470726611 NNWDRNPLGYFSBG-LJQANCHMSA-N 283.415 3.641 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCSCc1ccccc1 471164845 JUMRSNWSADKFCD-INIZCTEOSA-N 289.444 3.877 30 20 CHED C=CCCCCNC(=O)NC[C@@H](C)Sc1ccccc1 472760939 BNPQHZKIAZUDHL-CQSZACIVSA-N 292.448 3.823 30 20 CHED C=CCC[C@H](O)CN(CC)[C@@H](CC)Cc1ccccc1 472954583 QTCVRWAIDZYRPA-ROUUACIJSA-N 275.436 3.657 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(C#N)c1 477416152 IMYIRXZXJPNMKZ-ZDUSSCGKSA-N 295.386 3.975 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3cccc(C#N)n3)C2)cc1 486483824 DKHMGWNXVXQNSC-GDBMZVCRSA-N 277.371 3.644 30 20 CHED N#Cc1c(F)cccc1COc1ccc(F)c(F)c1 488240605 BBIVXKMBEFQKPS-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 488928101 ZYSQCNVYKALXMS-RBSFLKMASA-N 284.403 3.784 30 20 CHED C=CC[C@@H](C(=O)N1CCC[C@H](CC)C1)c1ccccc1 489720152 UGNCLLMRCIKMGE-DOTOQJQBSA-N 271.404 3.995 30 20 CHED C=CCn1cccc1C(=O)N1C[C@H](C)Cc2ccccc21 490049269 YNHCYXVGDUWFRX-CQSZACIVSA-N 280.371 3.513 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)Cc1cccc2ccccc12 502428138 YBPZEGHVOCGBOQ-IBGZPJMESA-N 294.398 3.827 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CCc1ccc(Cl)cc1 503650385 RWNFQDZMCHMMAZ-INIZCTEOSA-N 292.810 3.717 30 20 CHED C=CCN(CC=C)Cc1cc(Cl)c(OC)c(OCC)c1 505886493 GLWDWCKTACTUPJ-UHFFFAOYSA-N 295.810 3.921 30 20 CHED C=CCOc1ccc(CN(C)[C@@H]2CCSC2)cc1Cl 506219712 MYBAOPJYSHEDII-CYBMUJFWSA-N 297.851 3.842 30 20 CHED C=CCCC(=O)N[C@H](c1cccc(C)c1)C(F)(F)F 511834693 ZWNQUXKCUTTWRX-CYBMUJFWSA-N 271.282 3.681 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(OC(C)(C)C)cc1 513479782 RCBKKRKHKGQFSB-MRXNPFEDSA-N 274.364 3.742 30 20 CHED N#Cc1ccc(CNC2(CF)CCC2)c(C(F)(F)F)c1 514938416 CBPFCUKUIGMPKA-UHFFFAOYSA-N 286.272 3.559 30 20 CHED C=CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 517656986 FNFMXAHFUMRYMB-UHFFFAOYSA-N 283.415 3.923 30 20 CHED C=CCn1c(-c2ccc(C)s2)nnc1N(CC)C(C)C 520461518 HQHMHPDLADEIIL-UHFFFAOYSA-N 290.436 3.736 30 20 CHED C=CCCCCCN(C)c1cc(C)nc(C2CC2)n1 523533359 CKBONKHJTAKWDP-UHFFFAOYSA-N 259.397 3.845 30 20 CHED N#Cc1ccc(N2CCC(Oc3cccc(F)c3)CC2)cc1 528082796 PBKGYOJJEPSCPJ-UHFFFAOYSA-N 296.345 3.745 30 20 CHED CCN(c1ccccc1)c1noc(C2(C#N)CCCC2)n1 528221207 JPVAAWZZZMYDGZ-UHFFFAOYSA-N 282.347 3.563 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 529119999 CAJHCJSYYWCQFK-IAGOWNOFSA-N 298.430 3.844 30 20 CHED C=C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 535231277 WLWDOTVTMPWAMN-UHFFFAOYSA-N 286.253 3.770 30 20 CHED CC(C)(C)C1=CCN(C(=O)Nc2cccc(C#N)c2)CC1 535367173 FZVJMLVNPCACNE-UHFFFAOYSA-N 283.375 3.768 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cccc2ccccc12 538194081 FWCJYZDLSWHUSP-LSDHHAIUSA-N 269.388 3.675 30 20 CHED Cc1cccc(CCN[C@H](C)c2ccc(C#N)c(F)c2)c1 539608596 TUSHGHFVYLJGIY-CQSZACIVSA-N 282.362 3.899 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)CCCC(F)(F)F 546179152 SOVXQRTWRVFLSW-GHMZBOCLSA-N 280.334 3.761 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1ccc(F)c(C#N)c1)CCC2 548085691 FUXVHBDRWNSHIT-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=CCOCCSc1cccc(Br)c1 549033415 KWKIAHBEJURUTP-UHFFFAOYSA-N 273.195 3.744 30 20 CHED Cc1c(C(=O)N(C)c2cccc(C#N)c2)ccn1C(C)C 549633950 RIQTUXOQXMOXHK-UHFFFAOYSA-N 281.359 3.526 30 20 CHED Cc1ccc(-c2nc(CN(C)CC(C)(C)C#N)co2)cc1 552316654 INUXETDGPLAPNV-UHFFFAOYSA-N 283.375 3.632 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCCC1(C)C 555194298 AXCQCFZGDHBIPO-UHFFFAOYSA-N 288.439 3.891 30 20 CHED C=CCCCCCN(Cc1ccccc1)C[C@H](C)O 559001229 DRTGFIUJYMOOGZ-INIZCTEOSA-N 261.409 3.616 30 20 CHED CC[C@H](N=c1cc(C)[nH]c(C#N)c1)c1ccc(F)cc1F 561212914 RMSANOMGHOCKGR-INIZCTEOSA-N 287.313 3.525 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@H]1[C@@H](C)CCC 563654787 FQMGTDSLBCFEQY-ZFWWWQNUSA-N 288.439 3.747 30 20 CHED N#CCN(C/C=C\c1ccc(F)c(F)c1)C1CCCC1 563777042 ATOWUFLLKVGOCU-ARJAWSKDSA-N 276.330 3.746 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 564038051 FILGDDSDHSHMMP-MRXNPFEDSA-N 296.414 3.532 30 20 CHED CC[C@@H](Cc1cccc(-c2ccsc2C#N)c1)C(=O)O 565235643 HTGJHIIFHHQLRT-LBPRGKRZSA-N 285.368 3.940 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(C#N)cn1)C(C)(C)C2 565960080 XUPVOAZJEOCQHM-UHFFFAOYSA-N 291.398 3.599 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](CC2CC2)c2ccccc2)C1 566096175 BLZQPPZAPUNAIP-HYVNUMGLSA-N 254.377 3.810 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCCCCC1 567401745 XIUFGGWFCXRUSL-UHFFFAOYSA-N 274.412 3.502 30 20 CHED CC(C)Oc1c(Cl)cccc1NC[C@H](C#N)CCC#N 567702873 OLVLDUPVLZUBLC-LBPRGKRZSA-N 291.782 3.983 30 20 CHED N#Cc1ncccc1SCCOC1CCCCCC1 581893990 GHBQKCXVLDWESL-UHFFFAOYSA-N 276.405 3.785 30 20 CHED CSc1ccccc1NC(=O)CCCCCC#N 588746572 RMJOBDYXBQQOKB-UHFFFAOYSA-N 262.378 3.821 30 20 CHED C[C@@H]1c2ccsc2CCN1C(=O)CCCCCC#N 588747367 BNOCFJBRSPDBDH-GFCCVEGCSA-N 276.405 3.668 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC2CC(F)(F)C2)n1 589870068 IDJKFWROOJSJRW-UHFFFAOYSA-N 279.334 3.708 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCCC[C@H]1CCC 590640012 IXUFMHDALGGTEY-CABCVRRESA-N 264.413 3.729 30 20 CHED N#CC[C@]1(O)CCN(Cc2ccc(C3CCCCC3)cc2)C1 592151387 OAVMXIPLXKSGHZ-IBGZPJMESA-N 298.430 3.585 30 20 CHED CCCN(C(=O)[C@@H](C#N)CC)[C@H](C)c1ccccc1OC 593425745 OJJNYMRVVBZLOQ-ZIAGYGMSSA-N 288.391 3.545 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 593489677 WOHMKLCNUBXLTR-OIISXLGYSA-N 284.403 3.639 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 595057304 CEIYAPKOJRVDCS-CYBMUJFWSA-N 294.420 3.863 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(OC)c(OC)c1 595057729 DFCHPLPYIGSTKU-CYBMUJFWSA-N 295.448 3.664 30 20 CHED CCN(Cc1cccs1)c1nc(C#N)c(Cl)s1 596070936 IVGNXZJYPUZCGV-UHFFFAOYSA-N 283.809 3.756 30 20 CHED N#Cc1nc(N2CCS[C@H]3CCCC[C@@H]32)sc1Cl 596154382 ISJGREAHKVEPEQ-UWVGGRQHSA-N 299.852 3.533 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]32)cc1 597830542 XXGFFQTYNNRFPK-HOCLYGCPSA-N 282.387 3.502 30 20 CHED N#C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C1CC1 601072762 SCJOZRPIYYDWCI-NSHDSACASA-N 290.779 3.519 30 20 CHED CC(C)N(C)Cc1cccc(CNC[C@H](C)CCC#N)c1 602533408 GXTPVVMOOHXARD-MRXNPFEDSA-N 287.451 3.556 30 20 CHED C=CCCCN(C)C(=O)[C@H](C)Sc1ccc(C)cc1 605644499 MIBMTXRZAZATKU-AWEZNQCLSA-N 277.433 3.900 30 20 CHED C=C1CCN(C(=O)[C@@H](CC(C)C)c2ccccc2)CC1 607111862 YAIOOQNYIQOHEL-KRWDZBQOSA-N 271.404 3.995 30 20 CHED Cc1cccc2c(=NCCCC(F)(F)F)c(C#N)c[nH]c12 610340292 PJKZNIWFVTZSQF-UHFFFAOYSA-N 293.292 3.591 30 20 CHED C[C@H]1CCCC[C@@H]1OCCNC1(c2cccc(C#N)c2)CC1 611396024 AQGKHKIXZQXYEY-YJBOKZPZSA-N 298.430 3.732 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CCO[C@H](CC(C)C)C2)n1 611467834 DSPCOGNONUVONF-LSDHHAIUSA-N 287.407 3.576 30 20 CHED N#Cc1ccc(Oc2ncc(Cl)s2)c(F)c1 613182036 GJVFYACKSQYITL-UHFFFAOYSA-N 254.673 3.600 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 617789616 OIDBBNBBDDERAX-CQSZACIVSA-N 280.371 3.663 30 20 CHED COc1cccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 618802224 DAGSMUXVLKNOEL-ORAYPTAESA-N 292.382 3.905 30 20 CHED C=CCC1(NC(=O)CC(O)(CCC)CCC)CCCC1 619107837 KIQOIISAYPIPDM-UHFFFAOYSA-N 281.440 3.713 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cncc(F)c1 619748472 MECOLPBMYLDPNW-SNVBAGLBSA-N 289.741 3.597 30 20 CHED C=CCOc1ccc(Oc2cc(C3CC3)ncn2)cc1 641404985 NUHMFELBZVMNIF-UHFFFAOYSA-N 268.316 3.711 30 20 CHED CCc1occc1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 647379599 YEVIAJILBYOKPC-LLVKDONJSA-N 286.356 3.666 30 20 CHED C=CCCC(=O)N1CCC[C@@]1(C)Cc1cccc(F)c1 648456992 QZBGWYVAABDITK-KRWDZBQOSA-N 275.367 3.716 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(C(F)F)nc1 658003733 PBXSXORYTRDSPE-LNSITVRQSA-N 296.361 3.651 30 20 CHED C=C(CNC(=O)NCc1ccccc1C)c1ccccc1 672684613 GADTZAYBVBKSKW-UHFFFAOYSA-N 280.371 3.508 30 20 CHED C=C(C)CNC(=O)Nc1ccc(COC(C)(C)C)cc1 681773372 UKHMJSGLZLLKQP-UHFFFAOYSA-N 276.380 3.699 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H]2CCC[C@H]21 685547174 RKJVMMVNHIEIAU-GOEBONIOSA-N 294.402 3.510 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCCCC12OCCO2 715939729 NJRWLIUTZIREJS-OAHLLOKOSA-N 297.439 3.539 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccc(O)c(F)c1 728430003 WMRFWQDGZAREOG-UHFFFAOYSA-N 292.741 3.699 30 20 CHED Cc1cc(/C=C2/COc3c(F)cccc3C2=O)ccc1F 729151195 SVONUDXLCOXBGX-WQLSENKSSA-N 286.277 3.932 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(C(=O)O)cc1)C2=O 729151290 QGUVOQFZWSJXMK-ZROIWOOFSA-N 278.307 3.516 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cnc(C3CC3)s2)c1 729371598 IGXHEEVMQAMGFO-UHFFFAOYSA-N 296.395 3.669 30 20 CHED C=C1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1 731026968 MJAUHHIJMAHNBO-UHFFFAOYSA-N 296.399 3.614 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(F)cc1C 731313636 CODWDRXGMWROQP-UHFFFAOYSA-N 267.307 3.842 30 20 CHED C=CCN(C(=O)c1cc2cc(F)ccc2o1)C(C)C 735428471 IQWIVGKJRVFANE-UHFFFAOYSA-N 261.296 3.609 30 20 CHED C=CCN(C(=O)Nc1ccc(N(C)C)c(Cl)c1)C(C)C 738935471 IBSYYZAEKHYMLV-UHFFFAOYSA-N 295.814 3.834 30 20 CHED C#CCN(C(=O)NCCCC(C)(C)C)C1CCCCC1 740485137 CRKCGSVGZVBSBH-UHFFFAOYSA-N 278.440 3.790 30 20 CHED C=C(Cl)CNC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 743620776 QNQSCZDZGBRHMM-YGRLFVJLSA-N 296.773 3.671 30 20 CHED C[C@H](OC(=O)[C@@H](C)c1ccco1)c1cccc(C#N)c1 744101888 MCRMRJXMMRUNMK-RYUDHWBXSA-N 269.300 3.559 30 20 CHED C=CCOCCCC(=O)OCCc1ccc2ccccc2c1 744139646 RBSHFEPOYNMNAE-UHFFFAOYSA-N 298.382 3.908 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)CC(C)(C)CC 744483249 XLKOONKASWFLAP-UHFFFAOYSA-N 275.367 3.614 30 20 CHED C(=Nn1cnc2ccccc21)c1cccc(-c2ccccn2)c1 747751784 QZWHUYRXDIGNSS-UHFFFAOYSA-N 298.349 3.981 30 20 CHED COc1ccc2c(c1)O/C(=C\c1ccc(C)s1)C2=O 749132817 RVTKJYBRSIFQHM-ZSOIEALJSA-N 272.325 3.681 30 20 CHED CSCC(=Nn1cnc2ccccc21)c1ccccc1 749444665 UUBBPWYEEBNUAM-UHFFFAOYSA-N 281.384 3.652 30 20 CHED Cc1cc(C(=O)OC[C@@H](C#N)Cc2ccccc2)ccc1F 750782036 FWYZMJPIIURFQW-OAHLLOKOSA-N 297.329 3.673 30 20 CHED CC(/C=C/C(=O)c1c(C)nn(C)c1C)=C\c1ccccc1 750912447 FQUCBPFJTQPLTA-AQASXUMVSA-N 280.371 3.879 30 20 CHED COC(=O)c1cc(/C=C2\C[C@@H](C)c3ccccc3C2=O)c[nH]1 751537231 XMRAHEBOLOEERO-KAQJVSAMSA-N 295.338 3.575 30 20 CHED C=CC[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccncc1 752982233 SPUQCLSXPRNJPB-ZFWWWQNUSA-N 287.407 3.529 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](CCC)c1ccc(F)cc1F 753180035 MKHSRRXPMUPUNO-DOMZBBRYSA-N 294.345 3.517 30 20 CHED C=C(C)[C@H](CC(=O)OC/C=C/c1ccccc1)OCC 756473599 SMMPAFRGVJFZIK-KXKDPZRNSA-N 274.360 3.614 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1ccc(F)cc1O 757475792 LFURQSHQRSSOMY-BQYQJAHWSA-N 293.297 3.976 30 20 CHED C#CC[C@@H](NC(=O)CC1CCCCC1)c1ccccc1 757578050 IVKDJWDIGPCWHG-QGZVFWFLSA-N 269.388 3.838 30 20 CHED C#CCCCCNC(=O)NC1CCC(c2ccccc2)CC1 758682744 FCSNEDLQBWIGIY-UHFFFAOYSA-N 298.430 3.816 30 20 CHED CC(=NNc1cc(C)ccc1F)c1csc(C)n1 759665932 SBTFWSVBBCTWPO-UHFFFAOYSA-N 263.341 3.735 30 20 CHED CCCCCCCCC(=O)N(C)Cc1cccn1C 760774891 YFEVKUWOYWNBIO-UHFFFAOYSA-N 264.413 3.734 30 20 CHED C=CCOCC(=O)Nc1ccc(-c2ccccc2)c(C)c1 762511752 RCAAKZRQPORMKM-UHFFFAOYSA-N 281.355 3.803 30 20 CHED CC1(C)CCCN(C(=O)c2cc(Cl)cs2)[C@H]1C#N 765160701 JPBCUELRTNFNRL-NSHDSACASA-N 282.796 3.556 30 20 CHED Cc1ccc(C2=CCN(c3nc(C)ccc3C#N)CC2)cc1 766386439 HOJTYRYDTLUZEN-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C=CCOCC(=O)O[C@H]1c2cc(Cl)ccc2CC1(C)C 766579465 RSRNNWMAXUVUHA-HNNXBMFYSA-N 294.778 3.709 30 20 CHED CC#CCCCC(=O)O[C@@H]1CCc2ccc(F)cc21 767097366 SRHPBTLERDVQKM-OAHLLOKOSA-N 260.308 3.550 30 20 CHED CC#CCCCC(=O)OCc1csc(CCC(C)C)n1 767679756 IMXGSADZCITQBB-UHFFFAOYSA-N 293.432 3.969 30 20 CHED CCc1ccc([C@H](C)CC(=O)OCC2(C#N)CCC2)cc1 768095831 BKZQTJCSHZHPTL-CQSZACIVSA-N 285.387 3.980 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)OCc1cc(C#N)ccc1F 769182281 LZBUIGQLMXOQDR-YPMHNXCESA-N 275.323 3.567 30 20 CHED C#CCOC(=O)c1sc(C(C)(C)c2ccccc2)nc1C 769881118 XZNBJJLEGUEGRF-UHFFFAOYSA-N 299.395 3.567 30 20 CHED CCCCCCCCNC(=O)c1cccc([S@@](C)=O)c1 770248202 JKQBXCJKYSTWAE-HXUWFJFHSA-N 295.448 3.514 30 20 CHED C=CCCCCNC(=O)N[C@H](C)c1ccc(C)s1 770509795 ZCMFFLTVNUBYBL-GFCCVEGCSA-N 266.410 3.773 30 20 CHED C=C(Cl)CNC(=O)c1cccc2c1ccn2CC(C)C 772282943 VPLVIZXODUPKIT-UHFFFAOYSA-N 290.794 3.780 30 20 CHED C=C(Cl)CN[C@@H]1CCCOc2cc(C)ccc21 773005119 OJEGIQVMHVWOMM-CYBMUJFWSA-N 251.757 3.551 30 20 CHED C#CCOc1ccc([C@@H](C)NCC2(C3CC3)CC2)cc1 773099094 PYZVKRNTAOIEPO-CQSZACIVSA-N 269.388 3.539 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cccc(C(=O)O)c2)c1 774126275 IGENYMNRAWCFLR-KTKRTIGZSA-N 296.322 3.680 30 20 CHED Cc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)c(F)c1 776393485 GPYPSQATKZUVPN-HNNXBMFYSA-N 275.323 3.763 30 20 CHED Fc1ccc(C2=CCC(=NNC3CCOCC3)CC2)cc1 776775702 DCCNVTDHDFETTI-UHFFFAOYSA-N 288.366 3.518 30 20 CHED Clc1ccnc(NN=Cc2nccc3ccccc23)c1 777906450 WTHMWNBWIMZJGA-UHFFFAOYSA-N 282.734 3.729 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(O)cc(O)c2)ccc1Cl 779713597 QARQNOBZKTVMJY-HWKANZROSA-N 288.730 3.956 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=S)Nc1ccccc1 779728638 VGKUVNNBHXIGFV-GFCCVEGCSA-N 297.383 3.786 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N 780175813 HGWAWDBBBDRLNA-QWHCGFSZSA-N 288.391 3.988 30 20 CHED CC(C)(C)C1CCC(C=NN[C@H]2CCCOC2)CC1 780261552 JSHMXJCONLSNRY-NRXISQOPSA-N 266.429 3.593 30 20 CHED C=C[C@@H](C)OC(=O)CCc1c[nH]c2cc(C)ccc12 781580581 RZFMRDQIHOMXGI-GFCCVEGCSA-N 257.333 3.527 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccnc(Cl)c1 782193831 JEIAEDNJMDFOGH-IWQZZHSRSA-N 285.730 3.566 30 20 CHED CC(C)[C@@H](CCc1ccccc1)NCc1ccc(C#N)cn1 783294038 LRQLIWPNTJHGEG-LJQANCHMSA-N 293.414 3.700 30 20 CHED C[C@@H](C(=O)OCCCC(C)(C)C#N)c1cccs1 783746760 UBZGHKDQBIXGSZ-LLVKDONJSA-N 265.378 3.725 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N2CCC[C@@](C)(C#N)C2)cc1C 784746601 MDBQNZGMELWWEE-GHOSXJJBSA-N 296.414 3.777 30 20 CHED CC[C@H](CC#N)OC(=O)c1c(C)oc2ccc(OC)cc12 787089762 NPGQOUQRFNGXBT-LLVKDONJSA-N 287.315 3.599 30 20 CHED C=Cc1ccc(C(=O)Oc2ccc(C#N)cc2OCC)cc1 788128467 XPJLAEOVODIKGG-UHFFFAOYSA-N 293.322 3.819 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1ccc(F)c(C#N)c1 788278243 PYMVKHIBMLCCTD-GFCCVEGCSA-N 276.355 3.786 30 20 CHED Cc1ccc(C)c(OC(=O)c2ccc(F)c(C#N)c2)c1 790098341 PTTGPTLMMQTVMU-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](CCC=C)c1ccccc1 791202659 UJYFAJILCYDGPF-IAGOWNOFSA-N 269.388 3.655 30 20 CHED CCCCCCCCCN(C)C[C@@H]1CCN(C(C)=O)C1 792265172 ISYGKXLFMRHNML-KRWDZBQOSA-N 282.472 3.537 30 20 CHED CCOC(=O)[C@H]1CCC(=NNCC2(C)CCCC2)[C@@H](C)C1 793089069 DZGZZSYYMUAZRV-KBPBESRZSA-N 294.439 3.512 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)ccc2F)Cc2ccccc21 793498011 NTUJBANTTBJYPF-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=CCCCCC[C@H](C)NC1CCN(C2CC2)CC1 793520636 UUAHTKUXUVAFAY-HNNXBMFYSA-N 264.457 3.728 30 20 CHED COCCCC(C)=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 794540827 DYRFMHDPAKSKOE-IIAWOOMASA-N 266.429 3.593 30 20 CHED COc1cc(Cl)ccc1CON=Cc1cccs1 794714245 KNWNLLOSPCCVFQ-UHFFFAOYSA-N 281.764 3.961 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2ccnn2C(C)C)cc1 794940595 BGSAODUQCZTKEV-KHPPLWFESA-N 297.402 3.816 30 20 CHED C=CCNN=C(C)c1ccc(OC(C)C)c(Cl)c1 794993842 JIAUZGNKERXKPQ-UHFFFAOYSA-N 266.772 3.627 30 20 CHED CSc1ccc(/C=C2/Cc3c(O)cccc3C2=O)s1 798231289 GNLCIKVPIRIYLD-CLFYSBASSA-N 288.393 3.998 30 20 CHED C=CC[C@H](N[C@@H]1CCCc2cccnc21)c1ccncc1 798928991 JIUYCAJEPMMIEB-DLBZAZTESA-N 279.387 3.761 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1cccc(C(C)C)n1 799444637 VCCARPCREOKTBS-UHFFFAOYSA-N 294.354 3.858 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C#N)cc2F)oc1C 799896360 IAGPXUPKBDHVAX-WAYWQWQTSA-N 269.275 3.803 30 20 CHED CCCCCCCC(=O)NC[C@H](O)c1cc(C)cc(C)c1 801531397 MQYWFIMHQKSOPX-KRWDZBQOSA-N 291.435 3.814 30 20 CHED Cc1cccc2c1CCN2c1nc(Cl)c(C#N)s1 804394720 WAXIFOPUJQLIIZ-UHFFFAOYSA-N 275.764 3.671 30 20 CHED C=C(Cl)COC(=O)c1cc(C)n(CC(F)(F)F)c1C 805620476 AZZFTEHGLMFLFZ-UHFFFAOYSA-N 295.688 3.577 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1nc2ccccc2o1 805695283 OWXGATWHYPSHDH-LBPRGKRZSA-N 286.331 3.906 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1 809602972 FOSVHKBZSIYGNA-LBPRGKRZSA-N 271.310 3.797 30 20 CHED CC(=NOCC(F)F)c1csc(-c2ccccc2)n1 810018046 PZTIKBLKGPKZIZ-UHFFFAOYSA-N 282.315 3.816 30 20 CHED CC1(C)CCC[C@@H](C=NNC[C@H]2CCSC2)C1 811657211 IDEPROCBLVCFPX-CHWSQXEVSA-N 254.443 3.531 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1ccc([C@H]2C[C@H]2C)o1 811666770 JQTNHJGUZJZHFH-CPUCHLNUSA-N 298.386 3.794 30 20 CHED CC(CCc1cccc(F)c1)=NOC/C=C\Cl 811669905 WGJNHBGZSQDKLJ-RXMSCADBSA-N 255.720 3.903 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1cc(F)cc(F)c1)C2 811696664 VLPVOCTUNNXMRY-QLKAYGNNSA-N 281.261 3.659 30 20 CHED COc1cccc(-c2nc(C=NOC3CCC3)cs2)c1 812236639 PPSFFBSEGADAHF-UHFFFAOYSA-N 288.372 3.722 30 20 CHED CSc1ccc2c(c1)CCCC2=NOCCOC(C)C 812238042 KIAOCIBYMLDRDJ-UHFFFAOYSA-N 293.432 3.891 30 20 CHED CCCCCCCCC(=O)N(C)Cc1nncn1C(C)C 814167873 QKFFPLFWDFCESD-UHFFFAOYSA-N 294.443 3.568 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H](c2ccccc2)C1 814334088 GRQXCECHJHTDKT-SFHVURJKSA-N 283.415 3.976 30 20 CHED C[C@H]1SCCC1=NNc1cccc(C(F)(F)F)c1 814689792 GGLQFYUTBMEZTB-MRVPVSSYSA-N 274.311 3.999 30 20 CHED N#C[C@H]1CCCC(=NNc2ncccc2C(F)(F)F)C1 814801762 RQCMXVOLAKCTHZ-VIFPVBQESA-N 282.269 3.582 30 20 CHED CC(C)c1cnc(C=NN[C@@H](C)c2ccccc2)s1 814814979 HRTIWHVYXSQPOS-LBPRGKRZSA-N 273.405 3.951 30 20 CHED Cc1c(NN=Cc2cccc3cc[nH]c23)cccc1[N+](=O)[O-] 814833475 GDSXDCMNHPVUOO-UHFFFAOYSA-N 294.314 3.831 30 20 CHED c1ccc(-c2nnc(NN=C3CCCC3)s2)cc1 814946350 HCKJBZAQIZDVMT-UHFFFAOYSA-N 258.350 3.547 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)OCc1cccc(C#N)c1 815349625 NPVQWCRDSVISNG-UHFFFAOYSA-N 294.354 3.742 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(C)CC(C)(C)C#N)cc1 817618035 QCJJHAXDRBCEFS-CYBMUJFWSA-N 272.392 3.822 30 20 CHED C=CCC1(CNC[C@H](O)c2ccc(F)c(F)c2)CCCC1 819356889 NKHOLSKPBRLHTD-INIZCTEOSA-N 295.373 3.724 30 20 CHED CC[C@@H]1CCC1=NNc1cc(Cl)nc(Cl)c1 819829046 ZLRSFYDCAMXLCU-SSDOTTSWSA-N 258.152 3.976 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H]1CCOc2ccccc21 820423725 PYVAIXZVLMPSRB-AWEZNQCLSA-N 260.333 3.656 30 20 CHED CCC[C@H](CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 820444392 AUUVCXRZSYJKBB-JSGCOSHPSA-N 258.365 3.562 30 20 CHED C=CCC1(CNCc2cccnc2Cl)CCCC1 825078907 FFABATMLWKOWKX-UHFFFAOYSA-N 264.800 3.961 30 20 CHED C#CCC1(C(=O)NCC2=CCCCC2)CCCCC1 833351095 ZRKOXMIALMUMPK-UHFFFAOYSA-N 259.393 3.577 30 20 CHED CCc1nocc1/C=C1/CCc2ccc(F)cc2C1=O 834434489 KUEYWGHHGJVOGC-XFFZJAGNSA-N 271.291 3.589 30 20 CHED Cc1ccc(CNN=C2CCC3(CCOCC3)CC2)cc1 835009575 ZDAIJGUGRWWABN-UHFFFAOYSA-N 286.419 3.811 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2nc(C3CC3)no2)CCCC1 835303814 LLLZEJMLJHKCLK-LLVKDONJSA-N 290.363 3.688 30 20 CHED C=CC(C)(C)COC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 835722321 QWEATYGGYHZZSM-FZMZJTMJSA-N 294.416 3.753 30 20 CHED CC(C)C[C@H](C)CC(=O)O[C@H]1CCC[C@@H](C#N)C1 839051880 OVPMTKMVKIDUCX-MJBXVCDLSA-N 251.370 3.684 30 20 CHED C#Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc(C)c32)nc1 839385725 ATWDCQPOUJYZQV-CYBMUJFWSA-N 290.366 3.525 30 20 CHED C#Cc1cccc(NC(=S)NCC(C)(C)CC=C)c1 840749621 ORCXEBOSUJGRNP-UHFFFAOYSA-N 272.417 3.557 30 20 CHED C=CCNC(=S)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 840862412 GDCRLLPAFXHEFA-JKSUJKDBSA-N 288.460 3.705 30 20 CHED Clc1cccc([C@@H]2CCC(=NNc3ccncn3)C2)c1 841641348 OOMNNKXXMIUHGJ-GFCCVEGCSA-N 286.766 3.866 30 20 CHED N#CC1(CCONC(=N)C2CCCC2)CCCCC1 842020764 DWQBVINTTXRHOV-UHFFFAOYSA-N 263.385 3.539 30 20 CHED C#C[C@H](OC(=O)CCC)c1cccc(C(F)(F)F)c1 842407995 FESMJZQDCBFDMV-LBPRGKRZSA-N 270.250 3.723 30 20 CHED C#C[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 842409718 RUOOAYKNIGLBIU-BIMULSAOSA-N 282.261 3.579 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C=C/C1CCCC1 843556838 LVUBKLZJFLCMKV-JXMROGBWSA-N 287.334 3.523 30 20 CHED C=C[C@@H](C)ON=Cc1cc2cnn(C(C)C)c2nc1Cl 844626139 YTCNBOZRPVKOKS-SNVBAGLBSA-N 292.770 3.591 30 20 CHED N#C[C@@H](C(=O)[C@@H]1C[C@H]1C1CCC1)c1nc(C2CC2)cs1 845614503 KEAYTJXZCJRCMC-XQQFMLRXSA-N 286.400 3.633 30 20 CHED C=C[C@@H](C)ONC(=O)N(CC)[C@H](CC)Cc1ccccc1 845629034 GXLSTXLXDMIJPQ-GDBMZVCRSA-N 290.407 3.545 30 20 CHED Cc1cc(C#N)ccc1N1CCC[C@@H]1c1cccnc1 846755809 RWNWGUMJJIBISG-QGZVFWFLSA-N 263.344 3.603 30 20 CHED Cc1cc(C)c2c(c1)CCC2=NNc1ccc(Cl)nn1 848399297 MOXUKNATHJHMKC-UHFFFAOYSA-N 286.766 3.509 30 20 CHED CC1(C)C(=NNc2ccc(Cl)nc2)[C@H]2CCC[C@H]21 853312819 HTKDHCWAQOSILV-WDEREUQCSA-N 263.772 3.959 30 20 CHED COc1cccc(CSCCO[C@@H](C)C#N)c1Cl 853773975 OPUCIRDZVXABQZ-JTQLQIEISA-N 285.796 3.510 30 20 CHED C=C[C@@H](OC(=O)[C@@H](C)OCCCC)c1ccccc1 857658286 DQGMNDMFLTWMLP-UKRRQHHQSA-N 262.349 3.662 30 20 CHED C=CCCCC(=O)N[C@H](CC)CCc1ccccc1 862691565 STKQOVWTQOWPTP-MRXNPFEDSA-N 259.393 3.870 30 20 CHED CC(C[C@H]1CCOC1)=NNc1cccc(F)c1Cl 863158951 XEUPDIXHPIHHLM-SNVBAGLBSA-N 270.735 3.694 30 20 CHED C#CCOc1ccc(CNc2cccc3oc(C)nc23)cc1 864014074 FYTJXISWPAJLGR-UHFFFAOYSA-N 292.338 3.760 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NOC[C@@H]1CCOC1 872367666 CPDNDJNKDXEMMB-CQSZACIVSA-N 286.375 3.530 30 20 CHED C[C@H](CCC#N)CN1CCC(c2cccc(F)c2)CC1 876724381 VLAHYNZPCILGSN-CQSZACIVSA-N 274.383 3.945 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](c2ccccc2C)C1 878595672 JWJSEQLSSJPNIP-HNNXBMFYSA-N 271.404 3.913 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](COc2ccccc2)C1 879423543 HNQDQVLWQGFHHQ-OAHLLOKOSA-N 287.403 3.516 30 20 CHED C=CCCC[C@H](NC[C@H]1CC[C@@H](O)C1)c1ccccc1 883218357 YWEIXHBCJQMPFI-JQHSSLGASA-N 273.420 3.835 30 20 CHED C=C1CCC(C(=O)NC(C)(C)CC(F)(F)F)CC1 890105253 AEQRKBPPTZOTFA-UHFFFAOYSA-N 263.303 3.580 30 20 CHED C=C1CCC(C(=O)NCc2cccc3[nH]ccc23)CC1 893203225 BKIIUNJEOZBFSS-UHFFFAOYSA-N 268.360 3.531 30 20 CHED CCCSC[C@@H](C)Nc1ccccc1O[C@H](C)C#N 893473989 ZLUJSRKZMKGHRV-CHWSQXEVSA-N 278.421 3.921 30 20 CHED N#Cc1cnc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)s1 896493657 UBCXOZVRFFCTCA-KBPBESRZSA-N 297.383 3.537 30 20 CHED Cc1ccc(C(=O)/C=C/c2cncn2C(C)C)s1 901437748 CXRUFCZWOLQTHN-AATRIKPKSA-N 260.362 3.730 30 20 CHED O=C(/C=C/c1ccccc1C1CC1)c1cc2n(n1)CCC2 901561986 YLQNLYWDXZVWAJ-MDZDMXLPSA-N 278.355 3.603 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)c1c(C)n[nH]c1C)c1ccccc1 910069510 NRQZTTPHCYAMTC-DOMZBBRYSA-N 297.402 3.564 30 20 CHED Oc1ccccc1/C=N\C[C@H]1CCCc2ccccc21 912962680 YNQCABXORQYOIF-JPVKTXQWSA-N 265.356 3.931 30 20 CHED CCCNC(=S)NN=C(C)CC(C)(C)c1ccccc1 915951460 CAUGPKZUYNHWMG-UHFFFAOYSA-N 291.464 3.604 30 20 CHED COc1ccc(CNN=Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 917547078 IKUMMOVMIBXHFH-MLGOLLRUSA-N 284.359 3.535 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)c1c(F)cccc1F 917558802 YWNOKGKLXCVAMZ-XTTRTJGBSA-N 291.297 3.859 30 20 CHED C=C(Cl)COC(=O)C(C)(C)c1ccc(Cl)cc1 917978753 PDNBCUYSGGDQIM-UHFFFAOYSA-N 273.159 3.913 30 20 CHED CC/C=C/CCOC(=O)CSCc1ccc(C#N)cc1 918507861 RHNARILHDGNKNN-ONEGZZNKSA-N 289.400 3.691 30 20 CHED Cc1cc(COC(=O)c2ccccc2CC#N)c(C)s1 920516871 LKVIDCNAZRGSBV-UHFFFAOYSA-N 285.368 3.788 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 926590384 BZDLEOVAEDTESU-RXABAKJHSA-N 285.431 3.719 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2Br)CC1 929099215 GJDAKDBXOTVGFR-UHFFFAOYSA-N 295.180 3.633 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)CC(C)C)c2ncccc12 931304251 PVDBHOJRNVEGBT-GOSISDBHSA-N 295.386 3.601 30 20 CHED N#Cc1ccsc1NC(=O)N1CCCCCCCC1 931835724 HUXUHSXMZOWVRF-UHFFFAOYSA-N 277.393 3.808 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](CC)c1nc(C)cs1 932053989 NOJDCLKJTDRBMB-VXGBXAGGSA-N 266.410 3.621 30 20 CHED N#C[C@@H]1CCCN(Cc2c(Cl)oc3ccccc23)C1 932151561 KQASXWJWHMTWLQ-NSHDSACASA-N 274.751 3.822 30 20 CHED C[C@@H](c1cccc(Br)c1)N1CCC[C@H](C#N)C1 932157029 ARMWHMUPESPHTK-NWDGAFQWSA-N 293.208 3.746 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cccc(COC(C)(C)C)c1 933215573 SICGZKMIJHMJSN-AWEZNQCLSA-N 288.391 3.535 30 20 CHED N#C[C@H](NC(=O)c1cccc2ccsc12)C1CCCC1 1119444637 DFTDNPRUXQKSEF-AWEZNQCLSA-N 284.384 3.713 30 20 CHED C=C(CC)C(=O)N(C)Cc1ccc(Cl)cc1Cl 1123575321 RGGPDBXYBWRSSF-UHFFFAOYSA-N 272.175 3.918 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccncc1 1128412235 OYJJMAKXEWBYMK-DLBZAZTESA-N 292.382 3.942 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc2ccccc2n1C 1139870691 ODOJYNSCECTPLF-UHFFFAOYSA-N 289.382 3.682 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2cccc(C#N)c2)C1(C)C 1180489229 WVVVOCLYMPSFHS-HUUCEWRRSA-N 258.365 3.562 30 20 CHED CCCN(Cc1ccc(F)cc1F)CC1(CC#N)CC1 1190604935 IVYOAFGKRNTTHW-UHFFFAOYSA-N 278.346 3.871 30 20 CHED CCCCCCc1nnc(COc2ccccc2C#N)o1 1256356003 SBANRJPRWSKXHN-UHFFFAOYSA-N 285.347 3.643 30 20 CHED CSc1cc(C)ccc1CNc1ncc(C#N)cc1F 1307002829 QGOCPOLINAOXNJ-UHFFFAOYSA-N 287.363 3.735 30 20 CHED Cc1cc(Nc2cccc(CC#N)c2)nc(C2CCC2)n1 1307121364 HHHCXGINLITSFB-UHFFFAOYSA-N 278.359 3.862 30 20 CHED C=C(C)CN1CCC(Nc2ccccc2Cl)CC1 1319377941 QDRYTNQSLXCTIW-UHFFFAOYSA-N 264.800 3.792 30 20 CHED CN(C(=O)CC#Cc1ccccc1)[C@H]1CCc2ccccc21 1319640480 LYFNMEPITKRRQX-IBGZPJMESA-N 289.378 3.574 30 20 CHED CCCc1ccn(Cc2ccccc2C(C)(C)C#N)n1 1319783007 IDAVBLSPNKAGJN-UHFFFAOYSA-N 267.376 3.685 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc(F)c(Cl)cc1Cl 1320306111 MHEZBRWQLJTJNE-RKDXNWHRSA-N 292.181 3.984 30 20 CHED C=C[C@@H](COC)N[C@@H]1CCc2cc(Cl)cc(Cl)c21 1324021870 NERZGXDVECFQFQ-WCQYABFASA-N 286.202 3.771 30 20 CHED C=C(C)C(C)(C)c1nnc(-c2ccc(OC)cc2OC)o1 1327042861 SKFQPMXZPBBZFD-UHFFFAOYSA-N 288.347 3.608 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc(-c2ccccc2)oc1C 1328917298 SHODFOBQUCCABG-UHFFFAOYSA-N 293.366 3.740 30 20 CHED Cc1ccsc1COC(=O)c1cccc(C#N)c1C 1343352179 SDOBNDGSDCNCBI-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C[C@H](CC(=O)O[C@H]1CC[C@@H](C#N)C1)c1c[nH]c2ccccc12 1344034820 JYWGCASQRZVTBJ-MCIONIFRSA-N 296.370 3.897 30 20 CHED C/C(=C\C(C)(C)C)C(=O)O[C@@H](CC#N)c1ccco1 1347949084 QEFTVWWTVCBZNI-NHAQELONSA-N 261.321 3.770 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccccc1N1CCCC1 1348474064 OZYACLLWNGILCB-UHFFFAOYSA-N 272.392 3.828 30 20 CHED C=CCCCc1nnc(COc2cc(C)ccc2C)o1 1349923464 SNSJFXYVGJTLCX-UHFFFAOYSA-N 272.348 3.774 30 20 CHED C=CCCCN(CC)[C@@H](C(=O)O)c1ccccc1Cl 1352777713 HJXTWZXCKZGKRU-CQSZACIVSA-N 281.783 3.754 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCC[C@@H](C)CC1 1356019130 JQIKWJOKMBHDNP-OLZOCXBDSA-N 294.468 3.515 30 20 CHED C[C@H](NC(=O)OCC1CCCCC1)c1cccc(C#N)c1 1464493414 HHVDFQJXIPWCAM-ZDUSSCGKSA-N 286.375 3.926 30 20 CHED CC(C)CCSCC(=O)O[C@@H](CC#N)c1ccco1 1518000523 HFLZCUQCYTWXNB-ZDUSSCGKSA-N 281.377 3.557 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(CCC(C)C)CC1 1525622410 GPMNFHRZTVLXFB-UHFFFAOYSA-N 278.440 3.991 30 20 CHED CC(C)C1CCC(NC(=O)c2ccsc2C#N)CC1 1533085913 ZNJOFSDTSYEIRQ-UHFFFAOYSA-N 276.405 3.564 30 20 CHED Cc1cc(N(C)[C@@H](C)C2CCCCC2)ncc1C#N 1559182755 SJZYMZZBXHNLAD-ZDUSSCGKSA-N 257.381 3.667 30 20 CHED N#Cc1nc(Sc2ccc3[nH]ncc3c2)sc1Cl 1559210421 PABMNFJYIXLLTR-UHFFFAOYSA-N 292.776 3.696 30 20 CHED COc1cc(C#N)ccc1CN1CCC(C)(C(C)C)CC1 1559770638 QPJXJQVMUYJUBT-UHFFFAOYSA-N 286.419 3.825 30 20 CHED C[C@@H](Nc1cccc(CCC(=O)O)c1)c1cccc(C#N)c1 1593365654 DVOFCNOVHFDHMR-CYBMUJFWSA-N 294.354 3.749 30 20 CHED C[C@@H]1CN(C(=O)c2cccc(F)c2C#N)[C@H]1c1ccccc1 1620454468 XMUYQASMYLVCKJ-SJKOYZFVSA-N 294.329 3.531 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1C#N 1629742908 QICMKRCECSCSBL-HIFRSBDPSA-N 288.366 3.642 30 20 CHED COc1ccccc1SCc1ccc(C#N)s1 1640883568 KFESOKNKMBJAMW-UHFFFAOYSA-N 261.371 3.921 30 20 CHED CCN(Cc1cccc(Cl)c1)c1ncc(C#N)cc1F 1642088154 CBYOKVCQFRQPKY-UHFFFAOYSA-N 289.741 3.772 30 20 CHED C[C@H]1C[C@H](C)CN(CCSc2ccc(C#N)cc2F)C1 1643725205 YKURGXOHJCJFGX-STQMWFEESA-N 292.423 3.767 30 20 CHED Cc1ccnc(N[C@@H]2CCC[C@@H]2C(C)(C)C)c1C#N 1651933518 YIVDVQCBZOADLH-UONOGXRCSA-N 257.381 3.888 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 1662637537 IQVFNKJSDQIWFW-DOMZBBRYSA-N 271.364 3.567 30 20 CHED CCC1(NC(=O)Nc2ccc(C#N)c(F)c2)CCCC1 1672081038 YSPDHPCXFDOUOD-UHFFFAOYSA-N 275.327 3.542 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCC(C)(C)CC#N 1678523514 JSJGRSLTZQQAAP-CABCVRRESA-N 293.455 3.830 30 20 CHED CC[C@H](C)[C@H]1CCC(=NNc2ccccc2C(=O)O)C1 1776030622 XPVCCSJEPMSVDV-RYUDHWBXSA-N 274.364 3.999 30 20 CHED O=C(O)c1cc(C=NNc2cccc(F)c2)sc1Cl 1776038972 ZEZUZKILROAOMD-UHFFFAOYSA-N 298.726 3.685 30 20 CHED Cc1c(NN=Cc2ccc(Cl)s2)cccc1C(=O)O 1776086637 FZYLQNLDHXNPBC-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1scc(Cl)c1Cl 1776149578 JAHMJQSTJIWIMX-ZETCQYMHSA-N 294.203 3.564 30 20 CHED CCCCCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)O 1776786743 ITXPHOUIIVFMEE-HUUCEWRRSA-N 297.439 3.839 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2cccc(C(=O)O)c2)c1 1777439422 JRZQPAJEXREVBU-VURMDHGXSA-N 284.286 3.728 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1ccc2c(c1)OCO2 6341026 NPLLRJQZNKBWJR-AATRIKPKSA-N 288.249 3.590 30 20 CHED N#Cc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1 8391550 LYSZJOCEFPTOLF-UHFFFAOYSA-N 297.789 3.538 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(C#N)c2)C1(C)C 16467536 FVJPADMKUHRJGT-HUUCEWRRSA-N 268.360 3.735 30 20 CHED CC(C)(C)SCCCC(=O)Nc1ccccc1C#N 19870233 QIPPPJZAPNJKBK-UHFFFAOYSA-N 276.405 3.809 30 20 CHED Cc1ccc(C)c(OCC(=O)Nc2ccc(C#N)cc2)c1C 28942704 YGINGPAKRITGFI-UHFFFAOYSA-N 294.354 3.501 30 20 CHED N#Cc1c(F)cccc1NCCc1cccc2cccnc12 29627238 SZEDFLLUJVPXLB-UHFFFAOYSA-N 291.329 3.900 30 20 CHED Cc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)sc1C 33179322 YFRKPTZVQLCZDZ-NSHDSACASA-N 284.384 3.728 30 20 CHED CC(C)c1cccc(NC[C@@H](O)c2ccc(C#N)cc2)c1 37884629 SVCSVKMWTCDKRE-GOSISDBHSA-N 280.371 3.827 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 44812949 QCDCXDMHDNPROH-RKDXNWHRSA-N 285.174 3.720 30 20 CHED C=CCN(CCOc1ccc(F)cc1)Cc1cccs1 60942776 BQSPFZAJWWYYNY-UHFFFAOYSA-N 291.391 3.954 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(F)cc2)c1C 65722628 GTSIUFYTGRTXMF-JXMROGBWSA-N 272.323 3.555 30 20 CHED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)CCCCC#N 68556996 RDUSAMJLWAFCFZ-UHFFFAOYSA-N 293.432 3.760 30 20 CHED C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H](C)S1 70387381 CBRYIDBAMHMIEE-NXEZZACHSA-N 266.797 3.542 30 20 CHED C=CCCC(=O)Nc1ccnc(Oc2ccccc2)c1 74076337 YQRXHSRQTCDQMG-UHFFFAOYSA-N 268.316 3.779 30 20 CHED C=C(C)CN1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 75008120 DTUZIZYQPKITPF-UHFFFAOYSA-N 296.455 3.532 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])o1 76851888 UNIRRIBTTWVMQN-MFKMUULPSA-N 297.314 3.795 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CCC(C)C 76992084 VYDXIMSZIKEHJK-ZWKOTPCHSA-N 298.430 3.887 30 20 CHED CCOc1cc(NCC(C)(C)CCC#N)ccc1OC 80192831 AOSVVLJPQWAREN-UHFFFAOYSA-N 276.380 3.836 30 20 CHED N#Cc1cccc(NC/C=C/c2ccc(F)cc2)c1 83391789 RRNBNONSEBLCOB-DUXPYHPUSA-N 252.292 3.823 30 20 CHED Cc1ccc2nc(-c3ccc(OCC#N)cc3)[nH]c2c1C 90065903 NJIBUIVDXNXMAI-UHFFFAOYSA-N 277.327 3.749 30 20 CHED Cc1cc2c(SCCCCC#N)ncnc2s1 90203069 XNHNLQAKVFDMJX-UHFFFAOYSA-N 263.391 3.786 30 20 CHED C=CCC[C@H](NCc1nc(C2CC2)cs1)C1CC1 90458993 CQXWUCSKQSEEND-ZDUSSCGKSA-N 262.422 3.855 30 20 CHED C=CCCC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 91799105 BCVMXWSXZQNUDZ-GFCCVEGCSA-N 289.272 3.902 30 20 CHED N#Cc1ccc(NC2CCCCCC2)cc1[N+](=O)[O-] 94591584 OORJHEXQOFIGMP-UHFFFAOYSA-N 259.309 3.601 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)CSc1ccccc1 110195146 IXJURQFJQZZFMR-CQSZACIVSA-N 275.417 3.615 30 20 CHED C=C1CCN(C(=O)COc2ccc(C(C)C)c(C)c2)CC1 111175514 XVYFLZPHDMUFLX-UHFFFAOYSA-N 287.403 3.676 30 20 CHED N#CCC[C@@H](C#N)CN1CCC[C@@H](c2ccccc2)CC1 112560332 CTKNBFIAUTWDLK-FUHWJXTLSA-N 281.403 3.700 30 20 CHED CCC[C@H](C)C(=O)Nc1sc(CC)cc1C#N 112797942 SJOVXVJWRNECRW-VIFPVBQESA-N 250.367 3.557 30 20 CHED C=CC[C@H](C)NC(=O)CCCCCc1cccs1 116855359 NYHUWKXZIMQOFX-ZDUSSCGKSA-N 265.422 3.932 30 20 CHED C#CCN(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 119502120 PQVDMLNTLMUQJF-ZDUSSCGKSA-N 270.401 3.745 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@@H](C#N)c2ccccc2F)c1 121016985 ULSWZAOSGDABIV-DYVFJYSZSA-N 296.345 3.619 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)c1ccccc1 122694041 SCCRFVJOMJUMGZ-JSGCOSHPSA-N 289.338 3.543 30 20 CHED C=C[C@@H](CC(=O)Nc1ccnn1C(C)C)c1ccccc1 124721954 DYUHPDWTBSJUBI-AWEZNQCLSA-N 283.375 3.762 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 126923323 VCRZXUIRLUATLG-HRCADAONSA-N 286.419 3.847 30 20 CHED CCN(CCC#N)Cc1ccc(Oc2cccnc2)c(C)c1 127645792 KESFGWCXZOEPRB-UHFFFAOYSA-N 295.386 3.918 30 20 CHED CCc1c[nH]c(S[C@@H](C)c2ccc(C#N)cc2)n1 129063751 XXAVZIPXQRYSOA-JTQLQIEISA-N 257.362 3.697 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2C)cc1 130133291 MSUQAAJZWKTGKH-DHZHZOJOSA-N 297.310 3.808 30 20 CHED N#Cc1ccc(F)c(CSc2cccc(O)c2)c1 131014863 DXNBEVRGFADYMQ-UHFFFAOYSA-N 259.305 3.695 30 20 CHED C=CCN(CCC(C)(C)C#N)Cc1ccc(OC)cc1 131219373 PZPWSPAJQWGLHP-UHFFFAOYSA-N 272.392 3.623 30 20 CHED C/C(=C/C(=O)O[C@H](C)C(C)(C)C#N)c1ccc(F)cc1 131325597 YYXIYNRHKBNRCQ-UCQJPZFISA-N 275.323 3.710 30 20 CHED C=CCCC(=O)COc1cccc(C(F)(F)F)c1 134644488 UJSKIUZFVSSGPY-UHFFFAOYSA-N 258.239 3.620 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@H]2CCC[C@@H]2C1 135284767 BZONOMAAZCHXHQ-HUUCEWRRSA-N 268.404 3.720 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C1CC1 150938135 PBOPOHFJEOYFSU-UHFFFAOYSA-N 299.292 3.505 30 20 CHED Cc1ccc(CC(=O)N[C@H](CCC#N)c2ccccc2)cc1 153145909 VVDJBZNABUCWTE-GOSISDBHSA-N 292.382 3.699 30 20 CHED Cc1cc(SC(C)(C)C)ccc1NC(=O)CC#N 153722884 VYLPSWPAFPGXJG-UHFFFAOYSA-N 262.378 3.738 30 20 CHED C=C[C@H](C)NC(=O)CCCCc1nc2ccccc2s1 154065643 REGVFWRCCVENBA-LBPRGKRZSA-N 288.416 3.700 30 20 CHED C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(C#N)cc1 154505565 DPJRVUHEKUNZPY-YVEFUNNKSA-N 284.334 3.621 30 20 CHED CC[C@@H](CC(=O)N(CC)C[C@@H](C)C#N)c1ccc(C)cc1 156391798 NRXDVTRVQXXXJJ-HOTGVXAUSA-N 286.419 3.887 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1cc(O)ccc1O 156662453 ZJNHFMAWWUQDME-QPJJXVBHSA-N 291.306 3.542 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(C)cc1F 157749433 JERAIVNFZPHGIS-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCN(C)C(=O)CCc1ccc(Cl)cc1Cl 161515421 UQYPOQUEEKYVLW-UHFFFAOYSA-N 272.175 3.570 30 20 CHED CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3ccccc3)cc21 164955614 WKDABVQBWAUTPQ-DHZHZOJOSA-N 291.350 3.812 30 20 CHED C=CCCCC(=O)NCC1(Sc2ccccc2)CC1 175614917 UBEYNNIZGYAKCX-UHFFFAOYSA-N 275.417 3.784 30 20 CHED Cc1ncc(/C=C/C(=O)O[C@@H](C)c2ccc(C#N)cc2)s1 175766067 GSSQBWALPPNGGZ-AEZGRPFRSA-N 298.367 3.641 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(Oc2ccccc2)o1 176415288 HHJYXJYOOPLZOH-LBPRGKRZSA-N 271.316 3.766 30 20 CHED CCCCC[C@@H](C)NC(=O)CSc1cccc(C#N)c1 177108056 IXYODHAYYLXSRB-CYBMUJFWSA-N 290.432 3.735 30 20 CHED N#Cc1cccc(SCc2cccc([N+](=O)[O-])c2)c1 177109817 KKUMBZYKTZHYSW-UHFFFAOYSA-N 270.313 3.759 30 20 CHED COc1cc(CNc2cccc(C#N)c2)c2c(c1)C[C@@H](C)O2 179550838 LNNVVRDBMQTOBY-GFCCVEGCSA-N 294.354 3.502 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(Cl)c(F)c1 179775311 KNAZMMMHMXABEV-UHFFFAOYSA-N 288.709 3.912 30 20 CHED COc1cc(C)ccc1CN[C@@H](C)c1cccc(C#N)c1 181891128 NAGPZZCGBBLNAL-AWEZNQCLSA-N 280.371 3.726 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182141252 IVSISAYUPHJGPA-KGLIPLIRSA-N 288.391 3.988 30 20 CHED C=C(C)[C@H](NC(=O)NCCC1CC1)c1ccc(F)c(F)c1 184328095 XQVITBKEVLLESS-HNNXBMFYSA-N 294.345 3.681 30 20 CHED C=CCn1c(SCC/C=C/CC)nnc1C1CC1 185175606 GFKVXGBQEBKBFW-AATRIKPKSA-N 263.410 3.790 30 20 CHED C=CCCCN[C@H](C)c1nc(C2CCCCC2)no1 185266178 OQLPUZZTUNYBER-GFCCVEGCSA-N 263.385 3.734 30 20 CHED CC#CCCCC(=O)Nc1nc(-c2ccco2)cs1 185346371 AHMIGQMTGBXTDW-UHFFFAOYSA-N 274.345 3.535 30 20 CHED CC(C)[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)Nc1ccccc1 185768997 OFHNEPMTRROUOA-CGTJXYLNSA-N 285.435 3.795 30 20 CHED N#Cc1ccc(Cc2cnc(NCc3ccco3)s2)cc1 185934043 GDEXFGPQNWPKNM-UHFFFAOYSA-N 295.367 3.811 30 20 CHED C=C(C)[C@@H](N[C@H](COC)C1CC1)c1ccc(F)c(F)c1 186448479 HIZFBWRONOURDN-HZPDHXFCSA-N 281.346 3.597 30 20 CHED C=CC[C@H](C(=O)N(C)C[C@@H](C)CC)c1ccccc1 187855155 GLRNZWMDFBTYPT-HOCLYGCPSA-N 259.393 3.851 30 20 CHED Cn1cc(CNc2cccc(C(F)(F)F)c2)cc1C#N 189573468 QIWKEBQVJHCGSB-UHFFFAOYSA-N 279.265 3.528 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C)CC=C)c1ccccc1 189651689 GAGVCWNKKOCKSO-HOCLYGCPSA-N 257.377 3.817 30 20 CHED CCCn1c(C(=O)N(C)C2(C#N)CCC2)cc2ccccc21 190309806 QBDDWNIZEKJUEL-UHFFFAOYSA-N 295.386 3.570 30 20 CHED N#C[C@H](C(=O)c1ccc(C2CCC2)cc1)c1ccccn1 192195803 TVVJUUXLYPTPEJ-INIZCTEOSA-N 276.339 3.839 30 20 CHED CCCCCCCC(=O)NC[C@@H](O)c1ccc(C)cc1 193234463 XPFVTIYBXYPZLW-MRXNPFEDSA-N 277.408 3.505 30 20 CHED COc1cccc2c1CC/C(=C\c1ccc(O)cc1)C2=O 194592983 DDOZZRKYGQSOBF-ACCUITESSA-N 280.323 3.613 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1 211342092 DKTUHVGKFBXDLC-BAQGIRSFSA-N 288.249 3.559 30 20 CHED N#Cc1ccc(Oc2ccc(C#N)c(Br)c2)cc1 228200346 GSGLWASKDPZFSF-UHFFFAOYSA-N 299.127 3.985 30 20 CHED N#CCSCc1nc(C2CCCCCCC2)no1 231028570 IOHNLHPLOJNMGB-UHFFFAOYSA-N 265.382 3.654 30 20 CHED N#Cc1ccccc1CN1CC[C@H]2CCCC[C@H]2C1 250078109 FSIMXDFYCROOJS-ZBFHGGJFSA-N 254.377 3.570 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 252186886 UKUVTVWZONSDNV-PJXYFTJBSA-N 273.336 3.703 30 20 CHED O=C(/C=C\c1ccc(Cl)s1)c1cc(O)ccc1O 254942249 KCQFVUAJYNTTOP-DJWKRKHSSA-N 280.732 3.709 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1cc(O)cc(O)c1 254990365 RGFZPERREHVFMT-FPLPWBNLSA-N 298.338 3.781 30 20 CHED CCc1nc2cc(N=Cc3ccccc3O)ccc2o1 255038951 VUILSTDZWRYRCY-UHFFFAOYSA-N 266.300 3.846 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2cc(O)cc(O)c2)c1 255564685 ANAFIJGAXAVDFJ-ARJAWSKDSA-N 268.312 3.611 30 20 CHED COc1cccc(/C=N\C[C@H](C)Oc2ccc(C)cc2)c1O 255660124 AGPFKKCQMSDNCE-YQNUULROSA-N 299.370 3.596 30 20 CHED CN(Cc1cccc2ccccc12)CC(C)(C)C#N 258968480 URTHBLWCJCXUII-UHFFFAOYSA-N 252.361 3.821 30 20 CHED C=C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 264101992 MWSJNVXRRRSQRE-UHFFFAOYSA-N 250.729 3.524 30 20 CHED C#CCN(CC)C(=O)Nc1cccc(N2CCCCCC2)c1 267303153 KPUOIMFLPOHFDT-UHFFFAOYSA-N 299.418 3.554 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(-c2ccccc2)ccc1O 271113665 DFLCNZNGDPEOFM-CQSZACIVSA-N 280.371 3.651 30 20 CHED C#CC[C@H](N[C@@H](C)c1cnccc1C)c1ccccc1 271425220 CLFRQMXQUSIESS-YJBOKZPZSA-N 264.372 3.805 30 20 CHED C=CCN(C(=O)Nc1ccc(COC(C)C)cc1)C1CC1 271621549 XSUIRBGVGPSGMG-UHFFFAOYSA-N 288.391 3.794 30 20 CHED CCCCCCCc1nc(Cc2cccnc2)no1 273766196 QRFSGCJDSCWCAG-UHFFFAOYSA-N 259.353 3.568 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCCC1 279981807 QOEKWLVPBQBOFJ-UHFFFAOYSA-N 284.403 3.892 30 20 CHED Cc1cc(F)cc(NCCCC2(C#N)CCOCC2)c1 280902445 BQVUFTAZBPFPSU-UHFFFAOYSA-N 276.355 3.647 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)c1cn(C)c2ccccc12 280987319 BWYMOLSRNADWEY-ZIAGYGMSSA-N 284.403 3.753 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CC=CC[C@H]2C)s1 284237684 JORIUCNBGFBCEX-ZWNOBZJWSA-N 274.389 3.723 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1O 285502705 AZTTUSNTQYRLBN-LBPRGKRZSA-N 287.146 3.577 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1 285651366 MGFCVOJWOJGOPX-SWLSCSKDSA-N 288.778 3.616 30 20 CHED CCN(Cc1ccccc1Cl)C(=O)[C@@](C)(C#N)CC 285676361 ZORRULXODYXALM-OAHLLOKOSA-N 278.783 3.628 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(SC)ccc1C 285798084 LOBXKCPAOFIDIX-CQSZACIVSA-N 262.378 3.595 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cc2ccccc2s1 286300672 XMKYGDSIJKFGBH-HNNXBMFYSA-N 273.357 3.884 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCC#N 291675405 KVHMFRWARWLEOY-LBPRGKRZSA-N 287.388 3.713 30 20 CHED N#Cc1c(Cl)nsc1NC[C@H]1CCCCC1(F)F 294920414 JUANYRLTHQANLU-SSDOTTSWSA-N 291.754 3.906 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 295267960 LIDWOHLAIIDPGU-HOCLYGCPSA-N 271.404 3.678 30 20 CHED C=C(C)CN(CC)C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 295687880 LLOBQPNRONNCQH-UHFFFAOYSA-N 296.754 3.595 30 20 CHED CC[C@H](NCC1(OC)CCCC1)c1ccc(C#N)cc1 297464458 YBYVFQIAJWPDGB-INIZCTEOSA-N 272.392 3.558 30 20 CHED Cc1ccc(Nc2ccc(C#N)cn2)cc1OCC(F)F 301173438 KRTYINTUGONGQR-UHFFFAOYSA-N 289.285 3.649 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC2(CCCC2)C1 301469939 OHNNCBQBEDIRKY-UHFFFAOYSA-N 260.768 3.982 30 20 CHED COc1cccc2c1CC[C@@H]2Nc1ccc(F)cc1C#N 301614612 AWIYUJJUMMKDTC-INIZCTEOSA-N 282.318 3.805 30 20 CHED N#Cc1c(F)cccc1Oc1ccc(Br)nc1 301634876 VZZCNYBNKJLZRG-UHFFFAOYSA-N 293.095 3.647 30 20 CHED C[C@H]1CCC[C@H]1Nc1ccc2cc(C#N)ccc2n1 301981222 QCMHXCJAYRUAPR-SMDDNHRTSA-N 251.333 3.707 30 20 CHED COc1cccc2c1CCN(c1c(Cl)cccc1C#N)C2 302149303 HJZQYQNQNCTDOC-UHFFFAOYSA-N 298.773 3.783 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Oc2cccc(Cl)c2)c1 302223258 UATCMNSNXJSJIB-UHFFFAOYSA-N 274.663 3.912 30 20 CHED Cc1ccc(SC[C@H](C)Nc2ccc(C#N)cn2)cc1 302258047 OXCZBXZPZWFWHD-ZDUSSCGKSA-N 283.400 3.854 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1c1c(C#N)cccc1C#N 302891963 PWBMJJWRWHLDKA-KSSFIOAISA-N 287.366 3.812 30 20 CHED CC(C)c1cccc(N/C(N)=N/CCc2ccccc2F)c1 303792822 YTRFXLIVRZQTDF-UHFFFAOYSA-N 299.393 3.918 30 20 CHED CCC1(C/N=C(/O)Nc2scnc2C2CC2)CC1 328907912 CNHCJLTUBUXOPW-UHFFFAOYSA-N 265.382 3.537 30 20 CHED CC1(C)CC[C@H](/N=C(/O)c2csc([C@H]3CCCO3)n2)C1 328996585 JYJWAKQPRPXGGY-CMPLNLGQSA-N 294.420 3.878 30 20 CHED C[C@H](/C(O)=N/C1CCC(C)(C)CC1)c1cncnc1 329213090 IVTRGHPGGVJGCX-NSHDSACASA-N 261.369 3.505 30 20 CHED C[C@H](/C(O)=N/CCC1CCCCC1)c1cncnc1 329323851 SFINHTPGDGQROX-LBPRGKRZSA-N 261.369 3.507 30 20 CHED N#Cc1csc(C(=O)N[C@@H]2CCCCC23CCCC3)c1 329752026 WBKDZPBIBCSUKQ-CQSZACIVSA-N 288.416 3.853 30 20 CHED C[C@@H]1C[C@@H](NC(O)=Nc2cccc(C3CCC3)c2)CCO1 329796488 GYOGTCKGVNPMCL-WBMJQRKESA-N 288.391 3.657 30 20 CHED CC[C@@H](N/C(O)=N/CC1CCCCC1)c1c(C)noc1C 330476754 VJZBALALGNCMGV-CQSZACIVSA-N 293.411 3.826 30 20 CHED CCC[C@H]1CCc2nc(NC(=O)CCCC#N)sc2C1 330902985 SRYZOSLNDIVAJF-NSHDSACASA-N 291.420 3.680 30 20 CHED N#Cc1ncccc1OCc1csc(C2CCCC2)n1 331870288 BFVBDOCHRMAUHN-UHFFFAOYSA-N 285.372 3.646 30 20 CHED C[C@@H](C1CC1)n1cc(NC2CCC(C)(C#N)CC2)cn1 333269769 HLWRYQMQFYVTRB-YGONEPDPSA-N 272.396 3.738 30 20 CHED N#CCCCC(=O)N1CCCC2(CCCCC2)CC1 335327121 SYSSIIHFSRLBRF-UHFFFAOYSA-N 262.397 3.643 30 20 CHED C[C@@H](Nc1nc2c(cc1C#N)CCCC2)c1ccncc1F 337809277 LQKOCMOECIOKNT-LLVKDONJSA-N 296.349 3.539 30 20 CHED N#Cc1cc(F)c(NCc2c(F)cc(F)cc2F)c(F)c1 338771923 IINPNFUHHVJALE-UHFFFAOYSA-N 298.214 3.866 30 20 CHED Cc1cc(CNCc2coc3ccccc23)ccc1C#N 339408155 USOJPOFTEITSDB-UHFFFAOYSA-N 276.339 3.903 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H](C)c2c(C)noc2C)n1 340773159 LCHYGWCQVRDWLV-SNVBAGLBSA-N 289.379 3.874 30 20 CHED Cc1nsc(N[C@@H]2CSc3ccccc32)c1C#N 342409128 PBTFUDIKYNZDMU-LLVKDONJSA-N 273.386 3.582 30 20 CHED N#CCCCCNCc1cccc(-c2ccncc2)c1 344282779 MGASJPWDUDTMCG-UHFFFAOYSA-N 265.360 3.532 30 20 CHED CCS[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 344726225 QREPDHKZHHDWSM-LSDHHAIUSA-N 292.423 3.851 30 20 CHED N#Cc1ccc(CSCCOCC(F)F)c(Cl)c1 344873886 SQJYEKGSYOTJGZ-UHFFFAOYSA-N 291.750 3.727 30 20 CHED Cc1coc(C)c1C(=O)Nc1cc(C#N)c2ccccc2n1 345039896 RTJYXUUGPMCOPX-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CCSCc1ccc(C(=O)N(CC)C[C@H](C)C#N)cc1 347044887 AEDYVJZXNXFJPQ-CYBMUJFWSA-N 290.432 3.561 30 20 CHED N#Cc1ccc(C2=CCN(c3ccncc3Cl)CC2)cc1 348125878 PSQWFCAVTHZNBX-UHFFFAOYSA-N 295.773 3.900 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc(F)cc2C(F)(F)F)C1 349846482 BRJQYLKTXZIKDJ-CABZTGNLSA-N 286.272 3.626 30 20 CHED C[C@H](CCc1ccc(F)cc1F)NCCCCC#N 353492049 NDPSXCAKRZYSRR-GFCCVEGCSA-N 266.335 3.569 30 20 CHED Cc1csc([C@@H](C)CN[C@@H]2CCc3ccc(C#N)cc32)n1 353683131 YDKNCUCFHDEBLJ-MEDUHNTESA-N 297.427 3.704 30 20 CHED C[C@@H]1C[C@H]1CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 355390589 WYAUNDMMGVBSSW-MFKMUULPSA-N 297.383 3.666 30 20 CHED CC(C)N(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCC1 356142392 AMCUDIGSBYELAK-MRXNPFEDSA-N 284.403 3.863 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@H](C)C1CCC1 356557058 XRYVKCZDZOSYHS-CYBMUJFWSA-N 273.376 3.512 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@H]1CF 359593187 IYOQWTOTXKRGRR-LBPRGKRZSA-N 279.380 3.539 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccncc2CC)CCC1 359904502 SWTHZTCXEASAEM-ZDUSSCGKSA-N 272.392 3.568 30 20 CHED C=C(CNC(=O)c1ccc(C)c(C(C)=O)c1)c1ccccc1 360206506 AKSQRZHMHWDGNB-UHFFFAOYSA-N 293.366 3.641 30 20 CHED N#CCCCC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 360493963 ZRYZNGUQFVWFCY-JKSUJKDBSA-N 270.376 3.523 30 20 CHED CCN(CC)CCCN[C@@H]1CCCCc2cc(C#N)ccc21 360819036 GTNUPSLSYNQFIE-LJQANCHMSA-N 299.462 3.647 30 20 CHED Cc1ccc(C#N)cc1NCc1nccn1-c1ccccc1 361585166 HPRYZXVBSRGVOP-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=CCC1(C(=O)N2CCN(C3CC3)c3ccccc32)CCC1 362506669 BNVMBJAYJXCPEE-UHFFFAOYSA-N 296.414 3.748 30 20 CHED C=C[C@H](C)NC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C 362611583 CVZJHTGCRALNRV-AWEZNQCLSA-N 297.402 3.608 30 20 CHED CC(C)(C#N)CCCCN[C@H]1CCCC12CCOCC2 370306067 RQHMIDVHXJDIQU-HNNXBMFYSA-N 278.440 3.645 30 20 CHED N#Cc1cc(F)cc(OCc2sccc2Cl)c1 384124811 ZTGXZVXSFOPWHR-UHFFFAOYSA-N 267.712 3.991 30 20 CHED C[C@@H](NC[C@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 390917030 UUSXMMPEAACDAD-TZMCWYRMSA-N 294.345 3.675 30 20 CHED CCCC[C@H](C)C(=O)N[C@@](C)(C#N)CCc1ccccc1 409989529 VRJDTDBGUGJSBY-MAUKXSAKSA-N 286.419 3.844 30 20 CHED C=CC[C@H](CC)NC(=O)CSCc1ccc(C)cc1 410135861 PDEFYEBNQILAPK-HNNXBMFYSA-N 277.433 3.699 30 20 CHED N#CC1(CCN2CCC[C@H]2C2CCOCC2)CCCCC1 411491985 FWNKBVKVPAOVLD-KRWDZBQOSA-N 290.451 3.742 30 20 CHED CCO[C@H](C)c1nccn1CCC1(C#N)CCCCC1 413002675 SFQMPDLESFSGBA-CQSZACIVSA-N 275.396 3.845 30 20 CHED C=CCSCCNC(=O)Nc1ccc(C)cc1SC 417229572 UHGODEQBLIUDSD-UHFFFAOYSA-N 296.461 3.758 30 20 CHED C[C@@H](NCc1cccc2c1CCCN2)c1cccc(C#N)c1 423411807 GJEALKBEXIEOEX-CQSZACIVSA-N 291.398 3.767 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](CC)Cc1ccccc1C 424681970 WDYKMEUTYVNCKY-CABCVRRESA-N 259.393 3.645 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1c(C)c2ccccc2n1C 424811521 MAIZSQIFAMKFIW-UHFFFAOYSA-N 284.403 3.705 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[C@@H]1CC[C@H](C#N)C1 424965489 JATUCLCAMNGFLJ-QKPAOTATSA-N 296.414 3.784 30 20 CHED Clc1ccc(C#CCN(CC2CC2)CC2CC2)cc1 427003047 SXCVFSJTSGROSL-UHFFFAOYSA-N 273.807 3.814 30 20 CHED C=CCC[C@H](CC)N[C@H](C(=O)OC)c1ccc(F)c(C)c1 428377390 XNKURERGTQKENI-HOCLYGCPSA-N 293.382 3.683 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)c1 429366043 KHRDTIKWWIFDLR-BBRMVZONSA-N 286.375 3.658 30 20 CHED C[C@@H]1CC[C@H](N(C)CC#Cc2ccccc2Cl)C1 429566787 LQCATHYOCWJSRW-HIFRSBDPSA-N 261.796 3.812 30 20 CHED COc1cc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)ccc1C#N 440827258 PVVCVMBHQVWLGA-YQQAZPJKSA-N 284.403 3.625 30 20 CHED N#C[C@H]1CC[C@H](NCC2(c3ccc(F)cc3)CCCC2)C1 442719597 QMHKYLXQMIQNCS-YOEHRIQHSA-N 286.394 3.919 30 20 CHED CC(C)[C@@H](COCc1ccccc1)NCCCCC#N 446838963 NUHINKLUYBDNKA-QGZVFWFLSA-N 274.408 3.511 30 20 CHED CCN(CCCc1c(F)cccc1Cl)C[C@H](C)C#N 447743034 FZAOYGCWFFLLOZ-GFCCVEGCSA-N 282.790 3.893 30 20 CHED N#Cc1csc(CNC2(Cc3ccc(F)cc3)CC2)c1 449567564 UNVRMIVNBQRPJL-UHFFFAOYSA-N 286.375 3.624 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 450817274 XRBWNHCKXPGPBP-NJAFHUGGSA-N 299.414 3.505 30 20 CHED C=CC[C@H](C(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1)c1ccccc1 452219076 AQANOOFXLJUETO-VPAKFMSCSA-N 293.410 3.627 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)C(C)(F)F)c1ccccc1 452455389 JYOUGKGUPAPAJZ-VXGBXAGGSA-N 267.319 3.506 30 20 CHED C=CC(C)(C)CNC(=O)c1nsc2ccc(C)cc12 452783704 MNNXKPKVJNZRAG-UHFFFAOYSA-N 274.389 3.547 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1cccc(OC(F)F)c1 454274349 VOHWIJWPHRYWQS-LLVKDONJSA-N 298.333 3.614 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@H](CC(C)C)C2)c1 456005526 PGKRXVNGLOSGBK-CQSZACIVSA-N 285.391 3.767 30 20 CHED C=C(CC)CNC(=O)CCCc1ncc(-c2ccccc2)o1 456824979 GAUISLZUTWKYHL-UHFFFAOYSA-N 298.386 3.747 30 20 CHED C=CCC1(C(=O)NC2CCC(OC)CC2)CCCCC1 458061708 NSQZEMAJJNEWJV-UHFFFAOYSA-N 279.424 3.587 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@]1(C)CC=CCC1 460006325 GHACIKZVYBMYGK-LJQANCHMSA-N 299.414 3.956 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H]3C)c2c1 463060666 AFTISNZWDMIQKU-CYBMUJFWSA-N 265.360 3.712 30 20 CHED C=CC[C@@H](CC)NCc1nc2c(s1)C[C@H](C)CC2 466402399 VRVQZKCXGRVPEV-VXGBXAGGSA-N 264.438 3.712 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](C)C1CCCCC1 470415172 PTIGGWILEUZQRN-AWEZNQCLSA-N 274.408 3.715 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(CO)cc1 470908872 KKEJOINTJJGMBQ-UHFFFAOYSA-N 281.399 3.757 30 20 CHED CN(CCSc1ccc(C#N)cc1F)c1ccccc1 471249838 MNQOAUUQURGVHI-UHFFFAOYSA-N 286.375 3.926 30 20 CHED C=CCCCCNC(=O)Cc1cccc2ccccc12 471666409 GGZTZGWVRBDMQA-UHFFFAOYSA-N 267.372 3.855 30 20 CHED C=CCCCCNC(=O)CCc1ccc(OC(F)F)cc1 471690048 WQLDBKWUKDYWGZ-UHFFFAOYSA-N 297.345 3.693 30 20 CHED C=CCCCC(=O)NC1(c2ccccc2)CCCC1 480840054 KWEHGEBWJRRAMP-UHFFFAOYSA-N 257.377 3.928 30 20 CHED Cn1cc(CN[C@@H]2CCC[C@H](c3ccccc3)C2)cc1C#N 486866731 OCMZKXUZWONRBZ-ZWKOTPCHSA-N 293.414 3.713 30 20 CHED Cc1nc(Oc2ccccc2OC(F)F)ccc1C#N 488063546 KHWNZXHTSFORDR-UHFFFAOYSA-N 276.242 3.655 30 20 CHED N#Cc1c(F)cccc1COc1cccc(Cl)c1 488257697 RUQVOAMNEUZZRA-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cnn(CCCC)c1C 488884526 BMULCIUVUKNZQI-AWEZNQCLSA-N 290.411 3.564 30 20 CHED C=CCC(C)(C)CNC(=O)CCCOc1ccccc1 489804782 WZXDDQWWAPWKNG-UHFFFAOYSA-N 275.392 3.564 30 20 CHED CC(C)(NCc1cc(C#N)cs1)c1ccccc1F 492108520 QNFJVHBUTBVYJI-UHFFFAOYSA-N 274.364 3.784 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)CCCC(F)(F)F 495118492 IDHWVCXLLDVVKH-NSHDSACASA-N 277.330 3.992 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1c[nH]c2cc(C)ccc12 500717890 BLRRELNXKKYLSO-HNNXBMFYSA-N 299.418 3.673 30 20 CHED CC#CCCNC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 502105435 OKXWRXBWJQYTCA-WBVHZDCISA-N 284.403 3.583 30 20 CHED CC[C@H](C(=O)Nc1cc(C#N)ccc1NC)c1ccccc1 503265005 MGMQPYNNKVFZEO-HNNXBMFYSA-N 293.370 3.732 30 20 CHED C=CCn1c(SCCC(=C)C)nc2sccc2c1=O 505432988 MJCBRMNZXQYLMS-UHFFFAOYSA-N 292.429 3.702 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N[C@H](C#N)C(C)C)c1 511731019 VVXCOQQDJHZVEN-WMLDXEAASA-N 286.419 3.653 30 20 CHED C=C(CNC(=O)N(C)Cc1ccccc1F)c1ccccc1 512668269 UGMWRGFUMRQFDH-UHFFFAOYSA-N 298.361 3.681 30 20 CHED CC1(C)Cc2cccc(NC(=O)c3cccc(C#N)c3)c2O1 530447488 JSZBOXKRDKDDOB-UHFFFAOYSA-N 292.338 3.524 30 20 CHED C=CCCOCCNC(=O)[C@H](CC)CC1CCCCC1 535308367 UXECVAXRASJZLT-MRXNPFEDSA-N 281.440 3.692 30 20 CHED C=C(CC)CN1CCC(Nc2ccc(F)cc2)CC1 536905377 NWOHJYGHYGIKIW-UHFFFAOYSA-N 262.372 3.668 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc([C@H]2C[C@H]2C)o1 537187536 LWEYNKNRWZXEAI-IPYPFGDCSA-N 290.407 3.947 30 20 CHED CO[C@@H]1[C@@H](C)[C@H](Nc2ccc3cc(C#N)ccc3n2)C1(C)C 539393354 PJIRTOAEHROVQC-MZPVMMEZSA-N 295.386 3.578 30 20 CHED C=CCCC[C@H](C)NC(=O)CSc1ccc(F)cc1 539433254 CRFHEAXDXCAPAR-LBPRGKRZSA-N 281.396 3.779 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1ccc(Cl)s1 539709634 JZOPQJWQPCXNJO-JTQLQIEISA-N 286.828 3.598 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1 540524616 GPLARLYKPUUTDN-GJZGRUSLSA-N 275.392 3.623 30 20 CHED Cc1ccc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 540708793 CJAUUMSCPMGJCJ-AWEZNQCLSA-N 282.362 3.899 30 20 CHED CC[C@H]1CN(CC2(C#N)CC2)c2cccc(Cl)c2O1 542253446 OIDJOHLPDBIZKI-NSHDSACASA-N 276.767 3.621 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2nccc(C)c2C#N)C1 543206195 JFQMKFYHJLGKOK-CVEARBPZSA-N 291.398 3.953 30 20 CHED C=CCCCNC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C 544630552 MHILUYLAAACKKW-RDJZCZTQSA-N 286.419 3.930 30 20 CHED N#Cc1ccc(SCc2nc(CCC3CC3)no2)cc1 545821427 AUAPXEHVHDWRII-UHFFFAOYSA-N 285.372 3.576 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1c1cccc(C#N)n1 546633960 BBLVZCYHYYZILR-GOSISDBHSA-N 277.371 3.555 30 20 CHED CC1(C)CC(CC(=O)N[C@@H](C#N)c2ccccc2Cl)C1 551116060 OLBWBYTVAYNLAF-AWEZNQCLSA-N 290.794 3.847 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H](C)CCCC)cc1 552583294 VPTOSULKHGVZLJ-CQSZACIVSA-N 275.392 3.694 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCCC2)nc1 554360632 UJUVWHQDZPCCJX-IBGZPJMESA-N 291.398 3.974 30 20 CHED CC(C)O[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1(C)C 558508151 BZCSAHMUTNLVIA-OKZBNKHCSA-N 298.430 3.727 30 20 CHED C=CCN(CCc1ccco1)C[C@H]1CCC2(CCCC2)O1 558723695 ZCKQZXSQYCCQSB-QGZVFWFLSA-N 289.419 3.802 30 20 CHED N#Cc1ccc(NC(=O)CSCC2=CCCCC2)cc1 561244457 KBWBGGCQHZJDIW-UHFFFAOYSA-N 286.400 3.730 30 20 CHED C[C@H](SCc1nc(C2CC2)nn1C)c1cccc(C#N)c1 573491384 XKOCFWLCUOHCAX-NSHDSACASA-N 298.415 3.559 30 20 CHED CC(C)(C)CN(CCC#N)c1nc(C(C)(C)C)ns1 573980883 FCRDJOKPSDSFEZ-UHFFFAOYSA-N 280.441 3.602 30 20 CHED N#CCc1cccc(NC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1 578121374 WIQSCNIRIWWQEC-DOTOQJQBSA-N 297.402 3.700 30 20 CHED CCc1cccc(NC(=O)N2CCC(CCC#N)CC2)c1 581427709 GUFOCOFRIATMTR-UHFFFAOYSA-N 285.391 3.797 30 20 CHED Cc1ccnc(COc2cc(C)c(C#N)c(C)c2C)c1 586237678 VUNFLJRFFQMWGK-UHFFFAOYSA-N 266.344 3.766 30 20 CHED CCc1cc(NC(=O)c2cccc(C#N)c2)ccc1F 586825809 DYVBPNIOYJFEEK-UHFFFAOYSA-N 268.291 3.512 30 20 CHED N#CCCCCCC(=O)N(Cc1cccs1)C1CC1 588277821 IFZVDJDQAGUBMO-UHFFFAOYSA-N 276.405 3.713 30 20 CHED N#Cc1ccccc1/C=C1\COc2ccc(Cl)cc2C1=O 588425911 VJPVVMCZKMRESH-NTUHNPAUSA-N 295.725 3.870 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H]1C[C@H]1c1ccccc1 590962122 HCLOKINRNBDTBL-YSIASYRMSA-N 288.394 3.939 30 20 CHED C[C@@H]1CCCc2ccccc2[C@H]1NC[C@@H](C#N)CCC#N 591760870 KOWLDFYGUMQTEM-RKVPGOIHSA-N 281.403 3.733 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCCc1ccc2c(c1)CCCC2 593454115 WDXUJRLWHNVZAV-OAHLLOKOSA-N 298.430 3.649 30 20 CHED N#Cc1c(F)cccc1SCc1noc2c1CCCC2 594897973 FMIABFPHOLAQHI-UHFFFAOYSA-N 288.347 3.856 30 20 CHED CC(C)=CCC[C@@H](C)NCCc1ccc(C#N)cc1 595058186 YZMRXECTMODONX-OAHLLOKOSA-N 256.393 3.825 30 20 CHED CC[C@@H](CNC1(c2cccc(C#N)c2)CC1)CC(F)F 595419449 XULMKENLTSQDQZ-GFCCVEGCSA-N 278.346 3.818 30 20 CHED CC(C)(CCC#N)CNc1nccc2c(N)cccc12 596245392 YWMBPYYQMNUSTB-UHFFFAOYSA-N 268.364 3.559 30 20 CHED CCCC[C@H](C)N(C)C(=O)CC1(C#N)CCCCC1 597671546 MQYIJDBOOCZVLZ-AWEZNQCLSA-N 264.413 3.888 30 20 CHED CC(C)(C)c1ccc(C(=O)N2CCC[C@H](CC#N)C2)s1 597907468 BGMZJWYMQXNVIH-GFCCVEGCSA-N 290.432 3.811 30 20 CHED CCN(C(=O)C[C@@H](c1ccccc1)C(C)C)[C@@H](C)C#N 598357719 BBAIGMHMRYIJBG-GOEBONIOSA-N 272.392 3.577 30 20 CHED CN(Cc1cccc2ccccc12)C[C@H](O)CC(C)(C)C#N 598585666 IOBHKZMJHVFAGT-QGZVFWFLSA-N 296.414 3.572 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)c(C)c1 600085127 JABZDVADGBHRJU-UHFFFAOYSA-N 264.756 3.917 30 20 CHED C=CCn1c(S[C@@H](C#N)C2CC2)nc2ccccc21 601071446 YTLSRBNBNQTIDL-AWEZNQCLSA-N 269.373 3.617 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1Cc1ccc(F)cc1 602449446 MNVMIFCSDJKOEV-PBHICJAKSA-N 274.383 3.772 30 20 CHED C[C@H](CCC#N)CNc1cccc(OCC(F)(F)F)c1 602491155 HHAOQLFNXSIJAT-LLVKDONJSA-N 286.297 3.979 30 20 CHED CC(C)(C)[C@H](NCc1cccc(C#N)n1)c1ccc(F)cc1 602532183 KZFNHHKWXSOQIM-QGZVFWFLSA-N 297.377 3.969 30 20 CHED CC#CCN(Cc1ccccc1C(F)(F)F)C1CC1 607726969 PUEAIHGNIWJNMO-UHFFFAOYSA-N 267.294 3.693 30 20 CHED CC#CCN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 607728010 RDSUVAXICAVRCK-LLVKDONJSA-N 255.283 3.722 30 20 CHED N#Cc1ccccc1CN1CCCc2sccc2C1 609323133 UYTSVKLFYUEQNG-UHFFFAOYSA-N 268.385 3.568 30 20 CHED C[C@@H](NC(=O)Nc1cccc(F)c1)c1cccc(C#N)c1 610317195 QLRJQVQLITYEQY-LLVKDONJSA-N 283.306 3.580 30 20 CHED C=CCN(C(=O)[C@H]1CCC[C@H]1Cc1ccccc1)C1CC1 613238867 FNVFNDUPNVKMFI-WMZOPIPTSA-N 283.415 3.822 30 20 CHED Cc1cccc(Cl)c1NC(=O)N1CCC[C@](C)(C#N)C1 613504872 QVFFNBWUIQBHCU-OAHLLOKOSA-N 291.782 3.806 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2ccsc2)CCCC1 619108010 MVQKNSBYYNZYSH-LBPRGKRZSA-N 263.406 3.857 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2ccc(F)c3ccccc23)C1 619503413 XKKIIYBMLPGMFC-SFHVURJKSA-N 296.345 3.745 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2cccc(C3CCC3)c2)C1 619615781 WJECLZOKWFPACH-SFHVURJKSA-N 282.387 3.720 30 20 CHED C=CCOc1c(Cl)cc(CNC[C@@H]2C[C@@H]2C)cc1OC 623357308 ILOLXBFHHJJPPP-AAEUAGOBSA-N 295.810 3.659 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1cccc2c1CCCC2 627526072 UDERKGFPVGQRDR-OAHLLOKOSA-N 298.430 3.566 30 20 CHED C=CCC[C@@H](CC)N[C@H](C)c1ccc2nc(O)oc2c1 631738000 ZPKRKRQVZLGEKQ-DGCLKSJQSA-N 274.364 3.929 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCOC(C)(C)C1 634684843 ARVMAKOTRFCEDW-IAGOWNOFSA-N 273.420 3.721 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(OC)c1 642103445 LUWPMMUMXVHYMW-UHFFFAOYSA-N 267.372 3.883 30 20 CHED C=CCCCNC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 645482323 YEMINGAXXGOGPY-CQSZACIVSA-N 298.390 3.580 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1CC(c2ccc(F)cc2)C1 646088411 YMMSPODMKYWATI-VMBOVVBDSA-N 287.378 3.886 30 20 CHED C=CCCC(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 646675836 MGSOYRWCXVTFFR-UHFFFAOYSA-N 297.320 3.673 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCc1c(F)cccc1F 653784398 PZWRTFKTVPLFMQ-GFCCVEGCSA-N 281.346 3.758 30 20 CHED C=CCC[C@@H](N[C@@H]1CCOc2c(OC)cccc21)C1CC1 655850245 GOLHBFCGEMLIAV-HZPDHXFCSA-N 287.403 3.853 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](CO)c1ccc(Cl)cc1 672619627 IDWGLSJCQXKDSX-GUTXKFCHSA-N 281.827 3.606 30 20 CHED C=C(CN[C@@H]1CCc2c(OC)cccc21)c1ccccc1 675783263 FITPLAIXBAFFKU-GOSISDBHSA-N 279.383 3.986 30 20 CHED COCC#CCN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C 678793717 KURGTNKIXHBRRO-HNNXBMFYSA-N 299.336 3.642 30 20 CHED C#CCN(C(=O)c1cccc(C)c1C)C1CCCCC1 708451938 PCOIEOJNKLLGDZ-UHFFFAOYSA-N 269.388 3.712 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 727637272 VUNPSWDABXGOKO-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(O)c(Cl)c2)ccc1O 728232158 SIEFXVWKLBTSGA-DJWKRKHSSA-N 288.730 3.956 30 20 CHED CC(=NNc1ccc(Br)cc1C)c1ccc[nH]1 728433096 RKXWFBGIOAQSJO-UHFFFAOYSA-N 292.180 3.922 30 20 CHED Cc1ccc(Cn2ccc(-c3ccc(C#N)cc3)n2)cc1 728710892 NPRYVIOARMOLAD-UHFFFAOYSA-N 273.339 3.779 30 20 CHED C=C(CNCc1cc(C)ccc1O)c1ccccc1 733325345 FGPOQVTUHFMAJH-UHFFFAOYSA-N 253.345 3.504 30 20 CHED Cc1cccc(-n2c(C)cc(C(=O)O[C@H](C)CC#N)c2C)c1 733708245 QCMCGWNHWPSBAL-CQSZACIVSA-N 296.370 3.862 30 20 CHED C#CCCOC(=O)C[C@H](C)c1ccc(C(C)C)cc1 739153150 LBDDSRYSAPUCJW-AWEZNQCLSA-N 258.361 3.870 30 20 CHED O=[N+]([O-])c1ccc(NN=CC2CCCC2)c(Cl)c1 741842352 JCCSKHWHGLIVME-UHFFFAOYSA-N 267.716 3.836 30 20 CHED CCOc1cccc(C(=O)/C=C\c2scnc2C)c1 742432871 IQBDAMMXWQBWDF-FPLPWBNLSA-N 273.357 3.746 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@H]2CCC[C@@H]21)c1ccncc1 745827396 JTIVNAPCOPFVTN-IKGGRYGDSA-N 299.418 3.673 30 20 CHED CC(=NOCc1cccnc1)c1ccc(C)cc1C 746587247 KQLGVUGTDDLLJM-UHFFFAOYSA-N 254.333 3.639 30 20 CHED C[C@@H](OC(=O)[C@H]1Cc2ccccc21)c1ccc(C#N)cc1 748679463 GWCWNWSJEWTKLW-PXAZEXFGSA-N 277.323 3.502 30 20 CHED CC1(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)CCC1 750893463 ARDNSUBKYNPPPH-UHFFFAOYSA-N 296.288 3.790 30 20 CHED C/C=C(\C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 751353172 CSYLYLFUHWNJEY-QDEBKDIKSA-N 297.383 3.510 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1cccc(Cl)c1F 751526827 RINCIMDAAXFWCL-JTQLQIEISA-N 270.735 3.694 30 20 CHED C=C(C)CN[C@@H](c1ccc(OC)cc1)c1ccccc1OC 751563165 PMFHIAYUPZHVLN-IBGZPJMESA-N 297.398 3.959 30 20 CHED O=C(/C=C\c1ccsc1)c1cc([N+](=O)[O-])ccc1F 752874560 MFNDUFVQSOQERC-RJRFIUFISA-N 277.276 3.692 30 20 CHED C[C@@H]1CC[C@H](Nc2snc(Cl)c2C#N)C[C@H]1C 754115912 XJIZMMZSXZOBRS-HLTSFMKQSA-N 269.801 3.905 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccccc1N(C)c1ccccc1 754388508 LTRLYNMRLNYLSQ-HNNXBMFYSA-N 292.382 3.596 30 20 CHED C#CC[C@@H](NC(=O)CCc1cccc(C)c1)c1ccccc1 757597351 LETRSBWEGJWELK-LJQANCHMSA-N 291.394 3.808 30 20 CHED C#CCCCCNCc1cc(Cl)cc(Cl)c1OC 758498030 VHBYDAGTCHLYBB-UHFFFAOYSA-N 286.202 3.895 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ncccc1C(F)(F)F 758575433 DWDQCDAXMYVDGO-ZDUSSCGKSA-N 287.281 3.746 30 20 CHED C=C[C@H](CC(=O)OCc1ncc(CC)o1)c1ccccc1 758917134 YSQDGBGBIVAESW-CYBMUJFWSA-N 285.343 3.640 30 20 CHED CC(Cc1cccc(F)c1)=NNc1cc(Cl)nc(C)n1 759195645 HATZDILOTYZCCU-UHFFFAOYSA-N 292.745 3.608 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CCc2c(OC)cccc21 759641707 FZIMRGFDSIUGMX-SKCQWOFPSA-N 297.354 3.516 30 20 CHED C#CCCNc1ccc(C)c(Oc2cc(C)ccn2)c1 760295945 OABJOOQWVZWBMK-UHFFFAOYSA-N 266.344 3.926 30 20 CHED C#CCCCCCc1nc(Cc2ccccc2C)no1 761396597 GZOCBAHXUAMLPK-UHFFFAOYSA-N 268.360 3.705 30 20 CHED CCCCCCCCCc1nc(Cc2cnn(C)c2)no1 761798132 ALTUFMPATVVWNX-UHFFFAOYSA-N 290.411 3.687 30 20 CHED N#Cc1cccc(NN=C2CCc3ccc(Cl)cc32)c1 762447754 SLWYOZTXMJTYCS-UHFFFAOYSA-N 281.746 3.974 30 20 CHED COc1ccc2oc(C=NNCc3ccccc3)cc2c1 763353914 FRDJOSZZNMUODS-UHFFFAOYSA-N 280.327 3.565 30 20 CHED CC#CC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 764343792 RBEPMNHHNGBTEV-OAHLLOKOSA-N 289.787 3.630 30 20 CHED Cc1cc(OC(=O)/C=C2/CC[C@@H](C)C2)ccc1C#N 765117988 LODQHVAKNCMBKL-NASPGAHYSA-N 255.317 3.519 30 20 CHED O=C(O)c1csc(/C=C/C(=O)c2cccc(Cl)c2)c1 765827562 WCDHEDSEFPQECY-SNAWJCMRSA-N 292.743 3.996 30 20 CHED CC1CCC(=CC(=O)N[C@](C)(C#N)C(C)(C)C)CC1 766583599 NXDHWTURNWYMHU-PVQCJRHBSA-N 262.397 3.567 30 20 CHED CC(C)(C#N)CCCCSC[C@H]1CC2(CCC2)C(=O)O1 766821538 NYFAMISYTTYZSN-CYBMUJFWSA-N 295.448 3.925 30 20 CHED CC#CCCCC(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C 767048738 XRJZQTBLGBNKNF-LLVKDONJSA-N 288.318 3.615 30 20 CHED CCC(CC)(CNCc1ccc(C#N)c(C)c1)SC 767691177 NXSHQYNIJGXPLU-UHFFFAOYSA-N 276.449 3.878 30 20 CHED COc1ccc(NN=C[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 768367979 UMQQIZYFCAWDNP-VXGBXAGGSA-N 291.351 3.827 30 20 CHED C=CCN(Cc1cc(Cl)c(OC)c(OC)c1)C(C)C 768548097 WPSYYPZJGDHMDF-UHFFFAOYSA-N 283.799 3.754 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1csc(C(C)C)n1 768763943 NXKLVMDPUCSBCL-UHFFFAOYSA-N 295.799 3.546 30 20 CHED CC(C)CN(CCC#N)Cn1nc(Cl)c2ccccc21 769649137 MLUXIKHMLZCGEO-UHFFFAOYSA-N 290.798 3.519 30 20 CHED CCSc1ccc(C(C)=NNCC(F)(F)F)cc1 769809906 HFKCHMUXKQLXCU-UHFFFAOYSA-N 276.327 3.675 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)C1 769999668 BFHBFMZVIRQHEU-IIAWOOMASA-N 282.387 3.715 30 20 CHED C[C@H](Cc1ccco1)Nc1ccc2cc(C#N)ccc2n1 771654731 SZGOGZRMGSCHRP-GFCCVEGCSA-N 277.327 3.743 30 20 CHED N#Cc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)c(F)c1 772800408 GJMQWHRKQDFNBH-QPEQYQDCSA-N 281.261 3.659 30 20 CHED C=CCC[C@@H](CCC)NCc1cccc2c1OCCO2 772987050 YWLULGXIIGHMMY-OAHLLOKOSA-N 275.392 3.682 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C#N)c(F)c2)ccc1C 773143194 PLMAMLIYHQPKAE-YVMONPNESA-N 295.313 3.911 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc3c(c2)OC(F)(F)O3)C1 774275781 YVIQYMVFJZJDSZ-VHSXEESVSA-N 280.274 3.502 30 20 CHED CC(=NOC1CCOCC1)c1ccc(C(C)(C)C)cc1 774453203 PCQGHUNFDNIWIE-UHFFFAOYSA-N 275.392 3.904 30 20 CHED FC(F)C(Cc1ccccc1)=NOC1CCCC1 774597055 NYCJTKGDPLKGNT-UHFFFAOYSA-N 253.292 3.809 30 20 CHED COc1ccc(N(C)Cc2ccc(C#N)c(C)c2)cc1OC 775063569 SPKQQKJFINPAEH-UHFFFAOYSA-N 296.370 3.520 30 20 CHED C#CC[C@H](NCc1ccncc1Cl)c1ccccc1 775398320 GHIMZEYTTHPVSF-INIZCTEOSA-N 270.763 3.589 30 20 CHED N#C[C@H](OC(=O)c1c(O)cccc1Cl)C1CCCCC1 776379989 UOGSFAPOGVTAPP-ZDUSSCGKSA-N 293.750 3.675 30 20 CHED COc1cccc(NN=C(C)c2ccc(C#N)c(F)c2)c1 776762993 DJPPXAZSWFEHIH-UHFFFAOYSA-N 283.306 3.542 30 20 CHED CN(C)c1nc(Cl)c(C=NOC2CCCCC2)s1 777456472 ANESGUFALCQJDA-UHFFFAOYSA-N 287.816 3.546 30 20 CHED Clc1ccnc(NN=C2CCCOc3ccccc32)c1 777907662 ZHHMDSHLKGWUNT-UHFFFAOYSA-N 287.750 3.724 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1F 777919052 FQQVMXXQYAYKHR-HWKANZROSA-N 275.235 3.531 30 20 CHED N#Cc1c(F)cccc1C(=O)OCC1(c2ccccc2)CC1 778734343 JOUMJBZILGVGGN-UHFFFAOYSA-N 295.313 3.586 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1ccccc1C 779820665 LWABQBIPXUEXCS-UHFFFAOYSA-N 264.332 3.707 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2ccc(OC)cn2)C1 780267216 IDDNVDYUMMSUJI-CHWSQXEVSA-N 261.369 3.704 30 20 CHED COc1ccc(NN=Cc2ccc3ccccc3c2)nc1 780268416 ILVIIBNTPWWWBE-UHFFFAOYSA-N 277.327 3.689 30 20 CHED Fc1cc(NN=Cc2ccc(-c3ccccc3)o2)ccn1 781132379 KQBVMEKKIOJRBP-UHFFFAOYSA-N 281.290 3.927 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc(Cl)c(C)c1 781172334 GVIFRYDYVFDPDB-LBPRGKRZSA-N 282.767 3.673 30 20 CHED C=CCCCCCOC(=O)c1ccc(F)c(NC(C)=O)c1 783125419 LTSFZRRZHBLDNB-UHFFFAOYSA-N 293.338 3.687 30 20 CHED C#CC[C@H](N[C@@H](C)c1ccccc1O)c1ccccc1 783525198 LOTQICUBKWIELG-YOEHRIQHSA-N 265.356 3.807 30 20 CHED C=CCCCCCOC(=O)Cc1ccc2c(c1)COC2 784695265 MZHFTDJRXJSFPI-UHFFFAOYSA-N 274.360 3.549 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 787084289 MCZDMRGCICMGEF-CYBMUJFWSA-N 296.370 3.896 30 20 CHED C#Cc1ccc(C(=O)OC/C=C/c2ccc(Cl)cc2)cn1 787695059 OGVHCDGBBDSFIB-ONEGZZNKSA-N 297.741 3.587 30 20 CHED COc1ncc(C(C)=NNc2ccccc2F)cc1Cl 788975891 RUPMFDSPFSRAAW-UHFFFAOYSA-N 293.729 3.719 30 20 CHED CCCCOc1ccc(C(=O)/C=C/c2cn(C)nc2C)cc1 789158872 ZKZBXFRVDYUNSF-DHZHZOJOSA-N 298.386 3.804 30 20 CHED Cc1n[nH]c(C)c1C=NNc1cc(Cl)cc(Cl)c1 790202236 PXSWTXUSOPZZPU-UHFFFAOYSA-N 283.162 3.779 30 20 CHED C#CCN(C)C(=O)c1ccc(Sc2ccccc2C)cc1 790965611 TWTSSHMDONZQGZ-UHFFFAOYSA-N 295.407 3.851 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC)Cc1ccccc1Cl 791068414 UAJTWHMIDATMKW-AWEZNQCLSA-N 292.810 3.673 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H](CC)c1ccccc1 791143781 ZYZORYATBBOXJU-CQSZACIVSA-N 297.320 3.594 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)c1ccc(F)c(C#N)c1 792317965 LDOWGKRZGTVYQO-CYBMUJFWSA-N 297.329 3.875 30 20 CHED Cn1cc(C=NNc2cccc(Cl)n2)c2ccccc21 793162080 PTNJKTPZVAKCEB-UHFFFAOYSA-N 284.750 3.673 30 20 CHED Oc1ccc(Cl)cc1/C=N/CC1CC(F)(F)C1 793654981 NKIINGWPRSCNMF-FRKPEAEDSA-N 259.683 3.510 30 20 CHED CC(C)n1nccc1C=NNc1ccc(C(F)(F)F)cc1 794522675 AQFKZKPXPFXDBV-UHFFFAOYSA-N 296.296 3.929 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNCCC(F)(F)F 794553492 RSWKOFYPJSJBCV-VIFPVBQESA-N 250.308 3.731 30 20 CHED CSCCON=C(C)c1ccc(F)cc1OC(F)F 794574650 LFGWAUJUVRRCSH-UHFFFAOYSA-N 293.310 3.531 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)COc2cc(F)ccc21 794728490 RJQZZTFWSXGTKB-XVNBXDOJSA-N 295.722 3.594 30 20 CHED C#CCCCN[C@H]1CCCc2cc(Br)ccc21 794804866 VSLWZXYMVFSRDS-HNNXBMFYSA-N 292.220 3.830 30 20 CHED O=C1/C(=C/c2c(F)ccc(O)c2F)Cc2c(F)cccc21 794935474 RQGILIVWMIMGDU-BQYQJAHWSA-N 290.240 3.632 30 20 CHED O=C1/C(=C\c2ccccc2F)CCc2ccc(O)cc21 794960670 WCHGIWCMDZQOKV-LCYFTJDESA-N 268.287 3.744 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1cccc(F)n1 795006826 LVPRMFBLTARKON-LLVKDONJSA-N 269.323 3.853 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H](F)CC1CCCCC1 796213829 IQXKAFCRXICKDX-ZDUSSCGKSA-N 269.360 3.778 30 20 CHED CCCCCCCCOC(=O)C[C@H]1CCC(=O)[C@@H]1C 796224312 NAMYUSJSJZLPHM-ZIAGYGMSSA-N 268.397 3.895 30 20 CHED C#CCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 796281031 HUPHHAIXMNSZQO-KURKYZTESA-N 253.389 3.668 30 20 CHED C#CCCCC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 797577105 RUMKFDAZEXJVIL-ZWKOTPCHSA-N 277.367 3.615 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 798018457 LPLSBOXPTQXDGT-JKSUJKDBSA-N 289.806 3.896 30 20 CHED CCc1cccc(C)c1NN=C(C)c1ccnc(OC)c1 799493604 IRTMYHXKMDCSSE-UHFFFAOYSA-N 283.375 3.797 30 20 CHED C#CCCCC(=O)Nc1ccc2ccc(Cl)cc2n1 800125404 MRRVESOCJWLSMX-UHFFFAOYSA-N 272.735 3.630 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(N2CCCCCC2)cc1 801775547 NRWYXRMOLDLLIB-AWEZNQCLSA-N 287.407 3.763 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OCc2ccccc2F)c1 803835587 UDHZIAWGCSWEQU-UHFFFAOYSA-N 289.693 3.708 30 20 CHED N#Cc1sc(N2CCc3cccc(F)c32)nc1Cl 804563209 ZGYFCHATMCATLB-UHFFFAOYSA-N 279.727 3.501 30 20 CHED Cc1cc(NCc2cc(Cl)ccc2C)cc(C#N)n1 804643515 KZUGDSUARGNBKI-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C=CCCCCCCNC(=O)N(CC)Cc1ccoc1 806003824 DJOUPMICGCWOIG-UHFFFAOYSA-N 278.396 3.948 30 20 CHED C=CCCCCCCNC(=O)N1CCO[C@H](C(C)(C)C)C1 806003896 LQYGJKCPXIKPDF-HNNXBMFYSA-N 296.455 3.579 30 20 CHED C[C@H](CCOCc1ccccc1)/N=C\c1ccccc1O 806552318 RGPRKINFBQRAAB-JPVKTXQWSA-N 283.371 3.807 30 20 CHED C#C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C)C(C)(C)C 808316263 RPKJOHQNMUVXMD-XIRDDKMYSA-N 298.430 3.622 30 20 CHED C#C[C@@H](CCC)NC(=O)CCSc1cccc(Cl)c1 808420556 IQAPABBZQYLMKN-ZDUSSCGKSA-N 295.835 3.740 30 20 CHED C=CCCOCCN[C@H](C)c1cc(Cl)cc(C)c1O 808708229 JUNGOXDZIKSTOG-GFCCVEGCSA-N 283.799 3.597 30 20 CHED C=CCCCC(=O)Oc1ccc(Br)cc1OC 809057990 RCUOHLYGRFUCIN-UHFFFAOYSA-N 299.164 3.719 30 20 CHED CCC(=CC(=O)N[C@H](C#N)c1ccc(CC)cc1)CC 809257477 FUWQBOFYUXFOLV-MRXNPFEDSA-N 270.376 3.676 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(C)(C)c2ccccc21 809359946 LMXRYWTWEFDBPG-UHFFFAOYSA-N 269.388 3.750 30 20 CHED C#Cc1ccc(CNc2ccccc2OC(F)F)cc1 809598839 WALHOCSRMUSTPA-UHFFFAOYSA-N 273.282 3.881 30 20 CHED C#C[C@H](NCc1cc(F)cc2cccnc12)C(C)(C)C 809781375 PNEFAYIWGBVCGB-HNNXBMFYSA-N 270.351 3.511 30 20 CHED Cc1cccc(C)c1CN[C@@H]1CCc2ccc(C#N)cc21 810227240 ACZFASGSAMXPBQ-LJQANCHMSA-N 276.383 3.952 30 20 CHED Cc1ncccc1COC(=O)c1ccc(C(C)(C)C#N)cc1 810882041 FYOGMKAWBWBLAM-UHFFFAOYSA-N 294.354 3.548 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1cc(F)ccc1F 811687249 DLCVRRPADUXYLU-DAXSKMNVSA-N 287.240 3.872 30 20 CHED CON(Cc1ccc(Cl)cc1)Cc1ccccc1C#N 812911548 WPXUOOMQSXTJQZ-UHFFFAOYSA-N 286.762 3.775 30 20 CHED COc1cc(C)c(C(C)=NOCCC2CC2)cc1OC 814246753 XKXHRNNOQQSXLR-UHFFFAOYSA-N 277.364 3.553 30 20 CHED Fc1ccc(/C=C/C=NOCCC2CC2)cc1F 814247247 XYARYIPYUDYEAV-YBWUAALTSA-N 251.276 3.781 30 20 CHED C[C@H]1SCCC1=NNc1nc2ccccc2s1 814684618 BDMOWTOGACOVRH-MRVPVSSYSA-N 263.391 3.590 30 20 CHED O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=C1CC2(CC2)C1 814697653 WXJIUCIPVUTYKF-UHFFFAOYSA-N 299.252 3.956 30 20 CHED Brc1cncc(NN=C2CC[C@@H]2C2CCC2)c1 814886550 DWGVCPZVIKVJSV-GFCCVEGCSA-N 294.196 3.822 30 20 CHED c1ccc(C2CC(=NNc3ccc4[nH]ncc4c3)C2)cc1 814900264 KUOBVEZGMPOMQQ-UHFFFAOYSA-N 276.343 3.908 30 20 CHED C1CCC2(CCCC2)C(=NN[C@@H]2CCSC2)C1 814933296 KTMIIMLGUBYEQO-GFCCVEGCSA-N 252.427 3.572 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCc2c(Cl)cccc21 815099842 GFCRQTCJCIJPGX-LBPRGKRZSA-N 285.721 3.655 30 20 CHED N#Cc1cc(F)cc(OCC[C@@H]2CC2(Cl)Cl)c1 818088220 ZCCSDDOHCYYDEN-SECBINFHSA-N 274.122 3.660 30 20 CHED CO[C@](C)(C=NNc1cc(Cl)nc(Cl)c1)C1CC1 819828976 XHWLBIPDTFQVHL-GFCCVEGCSA-N 288.178 3.601 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)c1cc(C#N)ccc1F 830499147 UEAKSBWZALBELU-CQSZACIVSA-N 288.366 3.738 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccccc1[C@H](C)CC 835050154 XXDGPCALKHBWJO-YUELXQCFSA-N 274.360 3.697 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CCC[C@@H]1CCC)c1ccccn1 835131911 HBZWHPZNRGODBA-UXLLHSPISA-N 285.387 3.906 30 20 CHED C=C[C@](C)(CC)COC(=O)c1cccc(C(F)(F)F)n1 835337340 QZVCEPJSEIVCKQ-CYBMUJFWSA-N 287.281 3.860 30 20 CHED N#Cc1c(F)cccc1C(=O)OC[C@H]1CCCCC1(F)F 835643093 QLAMBBISSYKRQI-SNVBAGLBSA-N 297.276 3.680 30 20 CHED Cc1cccc2c(CC(=O)O[C@@H]3CCC[C@@H](C#N)C3)c[nH]c12 839053861 MEKQXXUTIKQZKS-UKRRQHHQSA-N 296.370 3.644 30 20 CHED CCN(CC)c1ccc(/C=N/[C@@H]2CS[C@H](C)C2)c(O)c1 840711878 SXCRGFIRWYZVRE-STYDFJLESA-N 292.448 3.551 30 20 CHED C[C@H]1OCCC1=NNc1cccc(Cl)c1Cl 841645755 RTVNHWXMSKCBKQ-SSDOTTSWSA-N 259.136 3.570 30 20 CHED N#Cc1ccc(OCCCSCC2(C#N)CCC2)cc1 842172088 VIZBFSCLAKHWIE-UHFFFAOYSA-N 286.400 3.754 30 20 CHED C=C(C)C(C)(C)C(=O)OCCc1noc2ccccc12 847773101 GBVHKXFNOBXOTC-UHFFFAOYSA-N 273.332 3.516 30 20 CHED C=C(Cl)COC(=O)c1cc(Cl)nc(C2CC2)c1 848803412 XIIOUEVLYBGSRS-UHFFFAOYSA-N 272.131 3.522 30 20 CHED CN(C)/C(=N/CCC1=CCCCC1)NCc1ccccc1 849054885 GPBAMQSNZYNPEV-UHFFFAOYSA-N 285.435 3.584 30 20 CHED O=C(/C=C\c1ccnn1CC1CC1)c1ccc(Cl)s1 849241334 CYWADTQMIKDURH-ARJAWSKDSA-N 292.791 3.904 30 20 CHED C=CCCCCn1ccnc1[C@@H](O)C1CCCCC1 849950353 CJOAWCGGLSKWCW-HNNXBMFYSA-N 262.397 3.853 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1ccc(CF)cc1 850973470 UQXNOCWQJOSYHS-MRXNPFEDSA-N 280.339 3.542 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)O[C@H](C)CC(C)(C)C#N 851205976 LJPLQDHWZRJOIE-YNEHKIRRSA-N 251.370 3.684 30 20 CHED C/C(=C\C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccco1 851206909 YHIJOBLNWDKTJQ-OBIHZWKSSA-N 261.321 3.554 30 20 CHED CCCn1nccc1/C=C1\CCc2c(OC)cccc2C1=O 853008522 SNVUYBWSOVYDNT-OUKQBFOZSA-N 296.370 3.514 30 20 CHED CCc1cccc2cc(C=NNC[C@@H]3CCSC3)oc12 853346600 GMDMTWIKLJEICI-LBPRGKRZSA-N 288.416 3.672 30 20 CHED CCC(=NNc1cc(F)ccc1C)c1c(C)nn(C)c1C 853393550 KTYDPXARTZICOH-UHFFFAOYSA-N 288.370 3.711 30 20 CHED C=CCC[C@H](NCc1cccc(CC2CCC2)c1)C(=O)O 864510491 WTNBHSRSUKCTBI-KRWDZBQOSA-N 287.403 3.538 30 20 CHED CC(=O)[C@](C#N)(CCSCC(C)C)c1ccccc1 871631366 DOMYIBVVURXJDV-MRXNPFEDSA-N 275.417 3.816 30 20 CHED CS[C@H](C)CCC(=O)N(C)c1ccc(C#N)c(Cl)c1 876167499 QAKGFIMFUJMWOM-SNVBAGLBSA-N 296.823 3.706 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC(c3ccccc3)C2)cc1 877665531 AOMVKXNEVBAGCG-HNNXBMFYSA-N 292.382 3.577 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2ccnc(C)n2)c1 878201464 ZZWMAMUOOCQWEY-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 879413474 OWPWNNIVDNZHES-HUUCEWRRSA-N 281.440 3.689 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C1 888363320 KMCMFIYQIDSUPI-LBPRGKRZSA-N 289.354 3.597 30 20 CHED C=CCCC(=O)N(C[C@H](C)N(C)C)c1c(C)cccc1C 891568685 MPUCXXVNAGFBKE-INIZCTEOSA-N 288.435 3.553 30 20 CHED C=CCC(C)(C)c1nc(CCOCc2ccccc2)no1 896527533 QAFYMAIGKCFZCP-UHFFFAOYSA-N 286.375 3.683 30 20 CHED CCc1onc(C)c1/C=C1\CCc2cc(F)ccc2C1=O 899360524 LHUKYBZYGZJORS-FMIVXFBMSA-N 285.318 3.897 30 20 CHED CC1(C(=O)N(O)Cc2cccc3ccccc23)CCC1 901371250 PRLVEQQJANLFMV-UHFFFAOYSA-N 269.344 3.748 30 20 CHED CC[C@H](NCc1ccc(OC)cc1F)c1cccc(C#N)c1 902878386 ARWAFTHBPIRSIO-SFHVURJKSA-N 298.361 3.947 30 20 CHED CCO[C@@H]1CCC[C@H]1N[C@@H](CC)c1cccc(C#N)c1 903013806 JCNKDNVARKZWAI-GVDBMIGSSA-N 272.392 3.557 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCC2(C#N)CC2)cc1 903101137 AUHCDDVUMOSDSX-ZDUSSCGKSA-N 290.794 3.772 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2nnc(-c3ccccc3)o2)no1 904063779 FYUZYYGUHWPQJA-NSHDSACASA-N 296.330 3.541 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccc(F)cc2C)no1 904596095 FDZZJSQQQXOUJL-ZDUSSCGKSA-N 275.327 3.540 30 20 CHED CCCCCCCCCC(=O)N1C[C@H](C)OC[C@@H]1C 914498421 ZNODZMGGZKNEIA-GJZGRUSLSA-N 269.429 3.763 30 20 CHED COc1ccc(O)c(/C=N/CC(C)(C)c2ccccc2)c1 914701592 MMRSGSFNIZHXGS-XDHOZWIPSA-N 283.371 3.798 30 20 CHED FC(F)(F)c1cccnc1NN=Cc1cccs1 915050992 ISKJHXMEUMZLTP-UHFFFAOYSA-N 271.267 3.608 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(SC(F)F)cc1 919884885 ZJASARAKOKYEMS-SNVBAGLBSA-N 298.358 3.623 30 20 CHED Oc1cccc(/C=N/[C@H]2CCc3c(Cl)cccc32)c1O 920178158 OPMCFWYWZGGHPB-RMNBPEERSA-N 287.746 3.858 30 20 CHED C[C@@H](NN=Cc1csc(C2CC2)n1)c1ccccc1 920383117 SQMCKPZBMPMVSN-LLVKDONJSA-N 271.389 3.705 30 20 CHED CCOc1ccc(C=NNCc2ccccc2)cc1OCC 920985566 RMJJGKAITXSBKE-UHFFFAOYSA-N 298.386 3.608 30 20 CHED C=CCSCCN[C@@H](c1ccc(C)cc1)c1cccnc1 925355054 ZZPZAUSSQYXYDI-SFHVURJKSA-N 298.455 3.988 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCc1ccccc1F 926338618 GYMVKAJFJCSGPA-CYBMUJFWSA-N 262.372 3.676 30 20 CHED C=C[C@H](CC)CC(=O)NC(C)(C)c1nc(C)c(C)s1 933196230 MDHJXNUXWVZFPF-GFCCVEGCSA-N 280.437 3.714 30 20 CHED CC[C@H](NCCCSCC#N)c1ccc(F)cc1 1116542437 SBIXOOMIIFYKMX-AWEZNQCLSA-N 266.385 3.513 30 20 CHED N#CCCCCSCc1nccn1-c1ccccc1 1116780784 JMAZZFVGUCAMCK-UHFFFAOYSA-N 271.389 3.799 30 20 CHED Cc1c(C#N)cccc1-c1nc([C@H]2CCOC(C)(C)C2)no1 1117831320 MMBTXIXMTRPJSN-LBPRGKRZSA-N 297.358 3.589 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H](c1ccccc1)C(F)F 1117888083 RFMPHZAKFNWZKZ-KRWDZBQOSA-N 299.320 3.551 30 20 CHED N#CCC[C@H](C#N)CN[C@H](C1CCCCC1)C(F)(F)F 1120596066 APDTUHTVRHHQIB-DGCLKSJQSA-N 287.329 3.531 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCCC[C@H]1CC 1121657516 ZFZWXTLYGMPNEY-QWHCGFSZSA-N 294.468 3.657 30 20 CHED CCC[C@H](CC(C)C)C(=O)[C@H](C#N)c1cccc(F)n1 1122732892 YGLAQKLMAFSDBU-CHWSQXEVSA-N 276.355 3.859 30 20 CHED C[C@H](Nc1cc(C#N)cnn1)c1cc(Cl)ccc1Cl 1163113323 XMXZCMBPYVMZLV-QMMMGPOBSA-N 293.157 3.828 30 20 CHED C[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1185013205 MXTZVFRWNGSVCL-LLVKDONJSA-N 283.306 3.580 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc(F)c3occc23)c1 1287803484 MXJGPZNWKUFFPX-UHFFFAOYSA-N 298.248 3.835 30 20 CHED Cc1cc(F)ccc1CCNc1nc(C#N)c(Cl)s1 1306996060 YLEUSUMTEYLUML-UHFFFAOYSA-N 295.770 3.770 30 20 CHED C=CCN(C(=O)Nc1nc2c(s1)C[C@@H](C)CC2)C(C)C 1318012699 HRPHKVSBSFONFO-NSHDSACASA-N 293.436 3.696 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCCC[C@@H]1N(C)C 1319212202 RFOWCBFEAMONGE-XHSDSOJGSA-N 252.446 3.584 30 20 CHED CC(C)N(CCc1ccccc1)C(=O)c1ccc(C#N)cc1 1322613912 LBBHOABLCHLHGB-UHFFFAOYSA-N 292.382 3.652 30 20 CHED C=C[C@H](COC)N[C@H](CC)c1ccccc1OC(F)F 1324022883 SWGPHAFJZPNCLX-DGCLKSJQSA-N 285.334 3.530 30 20 CHED C=C[C@@H](Cc1nnc(C(C)(C)C)o1)c1ccccc1 1326283625 NTNMGAKRQRWDRA-LBPRGKRZSA-N 256.349 3.879 30 20 CHED C=CCCCCNC(=O)N1Cc2ccccc2C2(CCC2)C1 1326520757 CKNJUDMOIFWBGK-UHFFFAOYSA-N 298.430 3.990 30 20 CHED N#CCC1(CSCc2nccn2-c2ccccc2)CC1 1327689172 RJUOFJUKHZIKBZ-UHFFFAOYSA-N 283.400 3.799 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)c1noc(C)n1 1329851915 WNYUEYRDVRVQNZ-NEPJUHHUSA-N 253.390 3.778 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1nc(C2CCCCC2)cs1 1333069721 CAMNSHJKOVBXOI-JTQLQIEISA-N 292.408 3.614 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC[C@@H](C#N)CCC#N 1335351899 QZOUSLGQEIFHPR-KFWWJZLASA-N 261.413 3.624 30 20 CHED CC(C)(C)Oc1ccc(CCNc2ncccc2C#N)cc1 1340951024 KAVUGDPSAICTCF-UHFFFAOYSA-N 295.386 3.785 30 20 CHED C=CCc1ccccc1OC(=O)[C@@H]1CCOC(C)(C)C1 1343554802 TXZRDENLMBONEP-CQSZACIVSA-N 274.360 3.526 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2ccc(OCC#N)cc2)CS1 1343628210 XQPOMPRTFJFZRI-UKRRQHHQSA-N 276.405 3.531 30 20 CHED CC[C@@H](F)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 1346343945 GOWFHZJYTYHKSR-DTWKUNHWSA-N 296.754 3.874 30 20 CHED C[C@H]1CCCC[C@H]1COC(=O)CCCCCC#N 1350079127 ULSQFDQREYNPIP-KBPBESRZSA-N 251.370 3.830 30 20 CHED CC1(CC(=O)N(c2ccccc2C#N)C2CCC2)CC1 1350241229 FEANKZYBPZFOFY-UHFFFAOYSA-N 268.360 3.634 30 20 CHED N#CC[C@@H](O)CN[C@@H](CC1CCCCC1)c1ccccc1 1354473311 XLQCPVICPRTMOB-MSOLQXFVSA-N 286.419 3.562 30 20 CHED CCc1ccc(CC)c(NC(=O)c2ccsc2C#N)c1 1435316494 OMJRUEJXEOEJGP-UHFFFAOYSA-N 284.384 3.997 30 20 CHED CC(C)CN(CCC#N)C[C@H](C)c1cc(F)cc(F)c1 1474403060 WWLBRPLUOJGRPH-ZDUSSCGKSA-N 280.362 3.940 30 20 CHED N#CC[C@@H](C(=O)Nc1cccc(F)c1F)c1ccccc1 1526904734 LJPOPMWETPHQOG-GFCCVEGCSA-N 286.281 3.601 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1cccc(OC(F)F)c1 1537722768 NJZVWQKWUVOQIX-JTQLQIEISA-N 297.301 3.832 30 20 CHED CCCCC1CCC(CNC(=O)[C@H](C#N)CC)CC1 1542299479 OPDXFZNJKSQUPS-NRXISQOPSA-N 264.413 3.649 30 20 CHED C[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@@H]1C[C@H]2CC[C@H]1C2 1559063551 YPNQFIBKJIZDTP-RHYQMDGZSA-N 275.783 3.843 30 20 CHED CC(=NNc1ccc(C)cc1)c1cc(C(=O)O)cs1 1589016497 QBPFIGRABIEBKJ-UHFFFAOYSA-N 274.345 3.591 30 20 CHED C=C[C@H](N[C@@H](C)c1ccc(-c2ccccc2)cc1)C(=O)O 1602818865 HAXKKNJUODXJJD-GUYCJALGSA-N 281.355 3.643 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(-c2ccncc2)ccc1C 1606679080 SCRVVXQCRCTYGN-CYBMUJFWSA-N 279.343 3.545 30 20 CHED Cc1cc(C(=O)/C=C\c2ccoc2C(=O)O)c(C)s1 1607566536 XDAUKLAJCRHMOV-ARJAWSKDSA-N 276.313 3.552 30 20 CHED Cc1nc(Sc2cccc(CO)c2)c(Cl)cc1C#N 1612908175 JYLGTPXWDDEAHT-UHFFFAOYSA-N 290.775 3.559 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1ccc(C#N)c(C)n1)CCC2 1651661409 APPNGROCKGZTRS-KRWDZBQOSA-N 293.370 3.760 30 20 CHED CCO[C@@H]1C[C@H](N(C)CC2(CC#N)CC2)C12CCCCC2 1652614842 SBWLPGWJFUBHDW-JKSUJKDBSA-N 290.451 3.740 30 20 CHED Cc1cc(C#N)ccc1CN1CCOc2c(Cl)cccc21 1652673457 QUTDXTQLBSSIIC-UHFFFAOYSA-N 298.773 3.919 30 20 CHED Cc1cc(CNC2C[C@@H](C)C[C@H](C)C2)ccc1C#N 1655671595 MUZCIUAANTVSOG-STQMWFEESA-N 256.393 3.781 30 20 CHED Cc1ccc(-n2cc(NC[C@H](C)CCC#N)cn2)c(C)c1 1658891968 XVLUZFCBUYHGEE-CQSZACIVSA-N 282.391 3.841 30 20 CHED C[C@H](NC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@@H](C)C1 1671449912 QURRDPBORYQWTA-GRYCIOLGSA-N 291.420 3.956 30 20 CHED CC[C@@H](NN=C1CCC(C2CCCCC2)CC1)C(=O)O 1776066028 MOUGYPIUHUHTJZ-AWKYBWMHSA-N 280.412 3.566 30 20 CHED CC[C@@H](NN=C1CCCC[C@H]1C1CCCCC1)C(=O)O 1776066204 TVVCVZGSCXBMHS-UONOGXRCSA-N 280.412 3.566 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1ccc(C(=O)O)c(F)c1 1776074423 ZNYUPPIYNWEZTM-JTQLQIEISA-N 298.317 3.532 30 20 CHED Cc1cc(C(=O)OCc2ccccc2C#N)c(C)s1 5231494 SJKRIUQQDFFTKY-UHFFFAOYSA-N 271.341 3.594 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1C 5558670 VUGIHTKMZFLIQX-CQSZACIVSA-N 294.354 3.581 30 20 CHED N#Cc1cccc(C(=O)OCc2ccc(Cl)cc2)c1 7395760 JRGOULTUYVTIRY-UHFFFAOYSA-N 271.703 3.569 30 20 CHED N#Cc1ccc(C(=O)OCc2cc3ccccc3o2)cc1 16471048 CEJMAPQPBOHILN-UHFFFAOYSA-N 277.279 3.661 30 20 CHED C=CCOc1ccccc1CN[C@H](C)CCc1ccco1 34993291 WILHGZXFNCWUIK-OAHLLOKOSA-N 285.387 3.955 30 20 CHED Cc1ccc(Cl)c(OCCOc2ccccc2C#N)c1 37139161 BJLGNBUUFGJNJN-UHFFFAOYSA-N 287.746 3.978 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cccc(O)c1 37319153 MTOILJYMBBNJSB-CQSZACIVSA-N 283.371 3.808 30 20 CHED C[C@H](c1cccs1)N(C)CCOc1ccc(C#N)cc1 42315351 FHTOSUFVRICVOM-CYBMUJFWSA-N 286.400 3.692 30 20 CHED C=C(Cl)CSc1nccn1-c1ccc(OC)cc1 48398066 JXOXAAGERVYZED-UHFFFAOYSA-N 280.780 3.726 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)cc2[N+](=O)[O-])cc1 50443207 BIUNOSZYGDINQR-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C=CCn1c(SCCCC#N)nnc1-c1ccccc1 57508452 FZVREYPSBCJDOU-UHFFFAOYSA-N 284.388 3.527 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CCCc2sccc21 61359937 FGDAQEVRCFRZAV-MRXNPFEDSA-N 297.423 3.927 30 20 CHED C=C(C)COc1cccc(NC(=O)CC[C@H]2CCCO2)c1 66463246 PGGIBRZKIRMAPV-OAHLLOKOSA-N 289.375 3.539 30 20 CHED CCc1c(C)sc(NC(=O)c2ccc(C#N)cc2)c1C#N 68677941 UEIMMDWZSAKVCE-UHFFFAOYSA-N 295.367 3.615 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(CCC#N)Cc1ccco1 72572120 JBQUVFYLOHWNPL-AWEZNQCLSA-N 288.391 3.738 30 20 CHED C=CCN(C(=O)c1cc(C)cc(F)c1)c1ccccc1 74241120 HDLUBSNFTKDRMY-UHFFFAOYSA-N 269.319 3.967 30 20 CHED CCOc1cccc(/C=N/CC[C@@H](OCC)C(C)C)c1O 74797265 FJSMYXVQLCYDER-GYZOOYGHSA-N 293.407 3.661 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC=CCC1 77639379 YPKPYCUKCOMSRN-KRWDZBQOSA-N 284.403 3.535 30 20 CHED CC[C@@H]1CCCN(c2c(F)cc(C#N)cc2F)CC1 83704186 HICVGJXECHGWCH-LLVKDONJSA-N 264.319 3.853 30 20 CHED CC(C)(C#N)CCOc1ccc(Cl)cc1[N+](=O)[O-] 87595996 KOUVHMKRVRXDOS-UHFFFAOYSA-N 268.700 3.567 30 20 CHED N#Cc1ccc(-c2csc([C@@H]3CCCO3)n2)cc1 87803520 RQTZQMIUBONUOC-ZDUSSCGKSA-N 256.330 3.533 30 20 CHED C[C@@H](NCCCCC#N)c1nc2ccc(Cl)cc2n1C 91319617 PSQZUHAHSFCHTF-LLVKDONJSA-N 290.798 3.571 30 20 CHED C=CCCC(=O)N1CC=C(c2ccc(OCC)cc2)CC1 91925479 TWOJBZMCEMVBSN-UHFFFAOYSA-N 285.387 3.667 30 20 CHED CCN(Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)C(C)C 92590258 YBMYVKQRJGGPFB-GJZGRUSLSA-N 274.408 3.844 30 20 CHED Cn1cc(/C=C/C(=O)c2ccccc2)c(C(C)(C)C)n1 93901679 WZVZISIKXJQJLM-ZHACJKMWSA-N 268.360 3.614 30 20 CHED N#CC1(C(=O)NCc2cccc3ccccc23)CCCCC1 98113149 CFBFRRIHDWDQLR-UHFFFAOYSA-N 292.382 3.930 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1OC(C)C 105001339 PYTHUMKPHJNJTE-UHFFFAOYSA-N 276.380 3.904 30 20 CHED CC[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C)C(C)C 105754063 XRFBWBVLYFCWFG-KGLIPLIRSA-N 297.402 3.822 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(c1)OCO2 106763059 IFRKQAKMADKKLB-UHFFFAOYSA-N 263.337 3.714 30 20 CHED COC(=O)c1occc1/C=C/C(=O)c1cc(C)cc(C)c1 107066928 KJNDQTVXMKZNPA-SNAWJCMRSA-N 284.311 3.579 30 20 CHED Cn1nccc1/C=C/C(=O)c1ccc(SC(F)F)cc1 116609472 YZYXBXMNOGVHEG-QPJJXVBHSA-N 294.326 3.631 30 20 CHED C[C@@H](N[C@@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)cc1 118443386 SIYVRLCWNBLQMV-PBHICJAKSA-N 287.451 3.575 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccc(OC)cc1)C1CC1 121388493 PEINIHWDLDZVPR-UHFFFAOYSA-N 299.414 3.955 30 20 CHED CCCCC[C@H](C(=O)N(CC)C[C@@H](C)C#N)C(C)C 121790602 FYEPZINZDMQROC-GJZGRUSLSA-N 266.429 3.847 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1ccc(F)cc1F 123179079 QIBKVWICWMLTCE-LLVKDONJSA-N 282.334 3.633 30 20 CHED C=C(C)CN(CC)C(=O)NCCCn1ccc2ccccc21 123262555 HREXKNAIIUJOPC-UHFFFAOYSA-N 299.418 3.639 30 20 CHED CC(C)(C)OC(=O)N[C@H](CCC#N)c1ccccc1 124493215 ZXVDLPYGMPURTG-CYBMUJFWSA-N 260.337 3.556 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 128688115 PNOFKAAAIDWUSV-NXEZZACHSA-N 286.297 3.640 30 20 CHED COc1cccc2cc(C(=O)O[C@H](C)C(C)(C)C#N)oc12 130480702 AKRYMAUKDYTBMQ-SNVBAGLBSA-N 287.315 3.536 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2c2ccc(C#N)nc2)c1 131543112 UFHQKCZJLMVQIT-SFHVURJKSA-N 277.371 3.912 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 131963204 HVBQCMPDCZQIHU-SFYZADRCSA-N 259.180 3.801 30 20 CHED Cc1cc(C)c(C#N)c(SCCc2csc(C)n2)n1 156646103 LDCVAACYNBJPEU-UHFFFAOYSA-N 289.429 3.670 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 157795898 XQKLACBODGQWEA-LBPRGKRZSA-N 290.794 3.720 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccc(C)s2)cc1 160920157 UFOQJCIBZHAZCK-CQSZACIVSA-N 285.412 3.919 30 20 CHED C[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 164376554 JCGWDYIWVJUITA-SNVBAGLBSA-N 268.282 3.813 30 20 CHED COc1ccc(C#N)cc1COc1cccc(Cl)c1F 167126796 RYMZRWNPCLOISV-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC(C)[C@H](CC(=O)OCCCC#N)c1ccccc1 171494654 CXZBZIUPGHCTBU-HNNXBMFYSA-N 259.349 3.663 30 20 CHED C=C(C)COC(=O)c1cnc(-c2ccc(OC)cc2)s1 174021879 SFJOZXSIUUZVCI-UHFFFAOYSA-N 289.356 3.552 30 20 CHED C#CCCCNC(=O)N[C@@H](CC)c1cccc(Cl)c1 174077489 QRJNZFMSMMFNNW-AWEZNQCLSA-N 278.783 3.504 30 20 CHED N#CCc1ccc(NC(=O)N(C2CCCC2)C2CC2)cc1 175674701 XJKWMBLSSMOQRN-UHFFFAOYSA-N 283.375 3.692 30 20 CHED CC(C)C1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 176092926 VYORGHBKTQNJKO-UHFFFAOYSA-N 289.354 3.597 30 20 CHED C=CCC(CC=C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 177197655 NYLRZKSVCFRAMH-CYBMUJFWSA-N 280.327 3.772 30 20 CHED Cc1cc(Cl)ccc1C(=O)NC1(C#N)CCCCC1 177801306 DNBOBWRNQBTHTF-UHFFFAOYSA-N 276.767 3.605 30 20 CHED C[C@H](NCCCCC#N)c1ccccc1OC(F)F 178644159 OUEVNYIWCJPZGX-NSHDSACASA-N 268.307 3.632 30 20 CHED C=CCC[C@H](NCCCn1ccnc1)c1ccccc1 178755381 NAGKQEGJJXUPCX-KRWDZBQOSA-N 269.392 3.570 30 20 CHED C=CC[C@H](C)NC(=O)N1CC=C(c2cccc(C)c2)CC1 180366661 STAVDBOVPPGWAK-HNNXBMFYSA-N 284.403 3.758 30 20 CHED C=CCN[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 180604130 ZPRGQVCSHOBDGJ-ZDUSSCGKSA-N 298.361 3.915 30 20 CHED CCCn1ccc2ccc(NC(=O)c3c[nH]c(C#N)c3)cc21 182256403 VUEXOCWCUZZBGH-UHFFFAOYSA-N 292.342 3.503 30 20 CHED CC[C@H](NCC#Cc1ccc(F)cc1)c1c(C)noc1C 182398115 HKNVIBMSUOJPCK-INIZCTEOSA-N 286.350 3.523 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 183052264 UXDUTNSZALJJHG-LXZKKBNFSA-N 297.402 3.909 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H](CC)c1ccc(C)cc1 183859706 NCENUULTJHZXJK-GDBMZVCRSA-N 272.392 3.687 30 20 CHED N#CCC(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 184871891 LMPNNHMIHJNQSL-UHFFFAOYSA-N 287.322 3.754 30 20 CHED C/C(=C\C(=O)O[C@@H](C#N)C(C)(C)C)c1ccc(F)cc1 184930901 TXTZQCCLOOOLRU-MARXPDLDSA-N 275.323 3.710 30 20 CHED COc1ccc(Cl)cc1N[C@@H]1CCC[C@@H](C#N)C1 185735277 AXYAXBHAMRZGBZ-ZYHUDNBSSA-N 264.756 3.843 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCN(c2cccs2)CC1 187703217 FOEPSHNGKNLTLN-AWEZNQCLSA-N 297.427 3.503 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc(Br)o1 188739675 PDZOAKHLWHZGFZ-VHSXEESVSA-N 272.186 3.732 30 20 CHED CC[C@@H](C)Oc1ccc(NCc2cc(C#N)n(C)c2)cc1 190861388 XDLCMHUKIUQKAH-CYBMUJFWSA-N 283.375 3.686 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cc(C#N)n(C)c2)C1 191382763 HEDPRFLPFNLJAB-UGSOOPFHSA-N 297.377 3.619 30 20 CHED C#CCCCC(=O)Nc1cc(Cl)ccc1Cl 192035018 ZQDXZJFFELQNDB-UHFFFAOYSA-N 256.132 3.735 30 20 CHED C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 193058662 CVPAXRQDRWNHHH-OKILXGFUSA-N 299.418 3.998 30 20 CHED COc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1OC(C)C 193287898 HORFDRCDMCWTCK-KGLIPLIRSA-N 288.391 3.977 30 20 CHED C=CCSCCNC(=O)c1cc(Cl)sc1Cl 194494444 UZOHSMFYLNLFLW-UHFFFAOYSA-N 296.244 3.704 30 20 CHED COc1cccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2C)c1 195233458 QAVLSYJCSKYVGA-CYBMUJFWSA-N 294.354 3.618 30 20 CHED CCOc1cc(/C=C\C(=O)c2cccc(C#N)c2)ccc1O 213185002 LJXFXLPDCXWRKR-VURMDHGXSA-N 293.322 3.559 30 20 CHED N#Cc1ccc(CSC[C@@H]2CCCO2)c(Cl)c1 220956145 VSNSUOCUBXKWGE-LBPRGKRZSA-N 267.781 3.624 30 20 CHED N#Cc1ccc(NC[C@H]2CCCS2)cc1Br 228192133 HWQFPLPMNCQPOD-LLVKDONJSA-N 297.221 3.628 30 20 CHED N#Cc1ccnc(Sc2ccccc2F)c1Cl 236161562 AUXFURTXVAOOLB-UHFFFAOYSA-N 264.712 3.897 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 245749104 XCVXPKKTUNEWOH-FXUDXRNXSA-N 276.424 3.601 30 20 CHED Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1[N+](=O)[O-] 248708577 AZTUWXRPDJUIJQ-GZBFAFLISA-N 287.363 3.636 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(CC#N)cc2)c1 254952650 XMAZVGOHBFQNEO-UHFFFAOYSA-N 280.327 3.608 30 20 CHED C=CCCCN(C)C(=O)N[C@H](C)c1c(F)cccc1F 265660000 ZJLKPVDLPLBSPY-LLVKDONJSA-N 282.334 3.633 30 20 CHED CC(C)c1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)on1 267166675 SOCYMTAFJWATLJ-NSHDSACASA-N 284.315 3.588 30 20 CHED C#CC[C@H](NCc1ccc(C)s1)c1ccccc1 270195129 LNCHSFVYRBEOMH-INIZCTEOSA-N 255.386 3.911 30 20 CHED C#CCCCCC(=O)N(C1CC1)[C@H](C)c1ccccc1 271385302 SPLPKCOBPWXGEI-OAHLLOKOSA-N 269.388 3.932 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1ccc([S@](C)=O)cc1 271478545 JKZRWKGNJHVNPS-WTANOLMUSA-N 279.449 3.819 30 20 CHED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCCC#N 273194373 HODBGCLAELYMQA-NSHDSACASA-N 270.298 3.530 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2ccccc2C)C1 274371317 VUFYCXRBEAIFTL-MRXNPFEDSA-N 269.388 3.505 30 20 CHED CCN(CC#N)Cc1nc(C2CCCCC2)cs1 277739709 OTCGTOBKQSEVMA-UHFFFAOYSA-N 263.410 3.536 30 20 CHED CC[C@@H](NC[C@@H](O)c1ccc(C)cc1)c1ccc(C#N)cc1 278269061 OWKHRHYOWYHUEZ-RTBURBONSA-N 294.398 3.641 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CCCC3)cc2)C1 278613410 FTLSWVMYBWTMFA-GDBMZVCRSA-N 269.392 3.781 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C#N)oc1C 280631042 MCFJKKPYNRJUBF-XHDPSFHLSA-N 274.364 3.501 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1 281809209 GUHFDTXSHZHAIC-BXUZGUMPSA-N 293.313 3.988 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](CC)c1ccc(F)cn1)OCC 285778335 JYCGJFUJAIWYCA-GJZGRUSLSA-N 295.354 3.586 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2cscc2C)no1 288936758 APNVRVJGUFPZAH-CQSZACIVSA-N 278.377 3.587 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc3cnccc3c2)C1 296585496 PYOHLUGPVVFCOM-WFASDCNBSA-N 251.333 3.729 30 20 CHED N#CCCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 298683871 ZDBZCUATVHJJSQ-CYBMUJFWSA-N 284.281 3.540 30 20 CHED C=CCSCCNC(=O)N1CCC[C@@H]1c1ccsc1 299346444 VWEBPBJDSSEISY-CYBMUJFWSA-N 296.461 3.514 30 20 CHED C[C@@H]1CCCN(CCCCNc2cccc(F)c2C#N)C1 301108380 QSHFCVNKLBPBRK-CQSZACIVSA-N 289.398 3.621 30 20 CHED N#Cc1cccc(Cl)c1NCCOc1ccccc1 301200036 MBQCFSKASLOBMV-UHFFFAOYSA-N 272.735 3.703 30 20 CHED CC[C@@H]1CN(c2ncccc2C#N)CC[C@@H]1c1ccccc1 301425598 GXBPHFJTCOFBTH-QAPCUYQASA-N 291.398 3.973 30 20 CHED CCSCC[C@H](C)N(C)c1ccc(F)cc1C#N 301746796 QIBWPTCFOSDHAZ-NSHDSACASA-N 266.385 3.665 30 20 CHED COc1cc(F)cc(CNc2ccc(Cl)cc2C#N)c1 301937311 QZIAPARGZOYBKX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCO[C@H](CNc1ccc(C#N)cc1F)c1ccccc1 302824098 LNCFNRBKFRKJON-QGZVFWFLSA-N 284.334 3.887 30 20 CHED C=CCCCOC(=O)[C@@H](C)Oc1ccc(SC)cc1 303856585 LPIMQQSRMIBNPZ-GFCCVEGCSA-N 280.389 3.685 30 20 CHED N#CCc1cccc(NC(=O)c2coc3ccccc23)c1 313471293 VIXAJWLPIYDUNE-UHFFFAOYSA-N 276.295 3.751 30 20 CHED OC1=N[C@@H](C(O)=Nc2cccc(C(F)(F)F)c2)CCC1 328821277 RCBKVLILZDPBKM-SNVBAGLBSA-N 286.253 3.802 30 20 CHED Cc1ccc(-c2ncco2)cc1N=C(O)N1C[C@@H]2CCC[C@@H]21 328898157 XXGLZRKOJAJVNU-ZFWWWQNUSA-N 297.358 3.680 30 20 CHED CCSc1nnc(N=C(O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)s1 329915406 YINADYAPRVOAOD-RBXMUDONSA-N 295.433 3.530 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N[C@@H]2CCCC2(C)C)c1C 331114377 JPUQVMODMRJPMH-SMDDNHRTSA-N 292.427 3.876 30 20 CHED CCC(=O)c1cccc(N=C(O)N[C@@H]2CC[C@@H](C)C2)c1 331290546 JYIVZJWXVMNIRO-BXUZGUMPSA-N 274.364 3.603 30 20 CHED C[C@@H](Sc1nnc(C2CCC2)n1C)c1cccc(C#N)c1 333554705 QQHZQQVPQHGEOA-LLVKDONJSA-N 298.415 3.808 30 20 CHED N#Cc1cnccc1NC(=O)c1cc2c(s1)CCCCC2 335672959 PCFXSTJITRAADA-UHFFFAOYSA-N 297.383 3.536 30 20 CHED Cc1c(F)ccc(Cl)c1C(=O)N1CCC(CC#N)CC1 335817932 RKRIUWOFZNBWEV-UHFFFAOYSA-N 294.757 3.553 30 20 CHED N#Cc1cnc(NCc2c(F)cc(F)cc2F)c(Cl)c1 338770693 DJUNTDXZWDODNV-UHFFFAOYSA-N 297.667 3.636 30 20 CHED Cc1ccc([C@@H]2CCCN2c2ccnc(C#N)c2)cc1 341742534 FQCHRAHOOMEUPF-KRWDZBQOSA-N 263.344 3.603 30 20 CHED CN(Cc1ccc(CC#N)cc1)Cc1ccccc1F 342693710 MRSZSWLJNLMPTE-UHFFFAOYSA-N 268.335 3.524 30 20 CHED Cc1ccsc1CN(C)Cc1ccc(CC#N)cc1 342712944 BCDZASALKBYEPA-UHFFFAOYSA-N 270.401 3.755 30 20 CHED Cc1nsc(NCC2(Cc3ccccc3)CC2)c1C#N 342778309 LDMLLEXHADONTB-UHFFFAOYSA-N 283.400 3.758 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H](C)C(C)(C)C 342826947 WUZJJKNHSKAGQG-CQSZACIVSA-N 266.429 3.847 30 20 CHED CCC1(CC)CCN(c2snc(C)c2C#N)CC1 343028783 UMGBRTOTTHETKP-UHFFFAOYSA-N 263.410 3.730 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)ccc1-n1ccnc1 343525287 OOTZUZOLOMXGTF-HNNXBMFYSA-N 297.402 3.655 30 20 CHED N#Cc1ccc(NCC2(C(F)(F)F)CCC2)cc1 343965272 RPCXYYKZUIUYNY-UHFFFAOYSA-N 254.255 3.703 30 20 CHED Cc1[nH]c2ccc(C(=O)NCC(C)(C)CCC#N)cc2c1C 345880981 GXUPUTDZWSEUKO-UHFFFAOYSA-N 297.402 3.845 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)CCC1CC1 346339335 PQFWPYXXNQPKAX-LLVKDONJSA-N 271.364 3.567 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(F)c(C(F)(F)F)cc1F 347061308 UFLJADCZIQCBQE-MRVPVSSYSA-N 292.251 3.718 30 20 CHED CCc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cn1 347620992 YMAQQXYSZXSWIX-UHFFFAOYSA-N 293.414 3.926 30 20 CHED C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 353317798 ZVUCOXMKDVVBMX-YJBOKZPZSA-N 292.382 3.951 30 20 CHED N#Cc1ccc(SCc2cc(-c3ccccc3)no2)nc1 353707594 HMNYRYKHLKRWCA-UHFFFAOYSA-N 293.351 3.901 30 20 CHED CC(C)c1cc(N(Cc2ccc(C#N)cc2)C2CC2)ncn1 354099712 PGWPFEJUPNRSRP-UHFFFAOYSA-N 292.386 3.641 30 20 CHED N#Cc1ccncc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 354560433 MOMGVBCCKSOHII-PWSUYJOCSA-N 283.297 3.734 30 20 CHED CCOc1cccc(CNc2cc(C#N)ccc2OC)c1 354854669 ROERZZGTWAEWMD-UHFFFAOYSA-N 282.343 3.578 30 20 CHED CC1CCC(C)(NC(=O)Nc2ccc(F)c(C#N)c2)CC1 356053823 XRXRJYMDEWHBOT-UHFFFAOYSA-N 289.354 3.788 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CCC(F)(F)C1 359726061 ZQIGBZWSQWGUMT-ZDUSSCGKSA-N 286.366 3.600 30 20 CHED N#Cc1ccnc(N[C@H](c2ccccc2)c2ccccn2)c1 376104051 QCHUWGKFIFZIOQ-GOSISDBHSA-N 286.338 3.550 30 20 CHED C#C[C@@H](CC)NCc1ccc(F)c(Cl)c1Cl 381566475 USIBXDFKYVSTIT-VIFPVBQESA-N 260.139 3.634 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Cl)ccc1F 393828523 UUSFDLRRQZIVGN-JTQLQIEISA-N 255.720 3.564 30 20 CHED N#CCc1ccc(COc2cccc(Cl)c2)cc1 399115098 FVXRCXXPIVAEHN-UHFFFAOYSA-N 257.720 3.985 30 20 CHED Cc1ccccc1N1CCN(CCCCC(C)(C)C#N)CC1 409447326 HBAVTNBGSUPFTL-UHFFFAOYSA-N 299.462 3.837 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H]1CCc2ccccc2C1 410127973 DZRUBJUCAQOZIX-RHSMWYFYSA-N 271.404 3.653 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Sc1ccc(OC)cc1 410130930 ACZGINVGWSYJHI-QWHCGFSZSA-N 293.432 3.647 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1cccc(Cl)c1 410146009 RKOOATQIZALCQQ-SMDDNHRTSA-N 265.784 3.914 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C)c1nc(CC)no1 411252248 AXIXSCBWMURFCY-ZDUSSCGKSA-N 277.412 3.761 30 20 CHED C=CCC1(C(=O)NC[C@@H](CC)CC(F)(F)F)CCC1 412657684 PCJOJNBYDSFTKE-NSHDSACASA-N 277.330 3.828 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C)(C)C1 413833615 KSJGWWDRMNBEKO-MRXNPFEDSA-N 286.419 3.615 30 20 CHED Cc1cc([C@H](C)NCC(C)(C)CC#N)c(C)s1 414163420 IOGUVEKIRBXWCH-NSHDSACASA-N 250.411 3.955 30 20 CHED CC[C@@H](C)C[S@](=O)CCC1(C#N)CCCCC1 414243004 JCVKNZMRQVGRQU-CXAGYDPISA-N 255.427 3.645 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCCc2c1cnn2C 414311177 XPAYOUZWTJRHQI-AEFFLSMTSA-N 295.430 3.575 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCN[C@H](C)C1 414682806 RZOLPNGUWHMNCU-CHWSQXEVSA-N 298.883 3.778 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C(C)(C)C 416309108 MRHIIPCIVHOQJT-JKSUJKDBSA-N 284.403 3.845 30 20 CHED C=CC(C)(C)C(=O)Nc1nc2c(s1)CCC2(C)C 421631632 NOFFUQABAVIVGL-UHFFFAOYSA-N 264.394 3.518 30 20 CHED C=CCCCC(=O)N1CCC[C@@H](CC(F)(F)F)C1 421954901 GXTDBHBBFOXYID-NSHDSACASA-N 263.303 3.534 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@H](C#N)C1 424317862 CKPSQPFWFNLJNW-USXIJHARSA-N 274.383 3.675 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1coc(-c2cccs2)n1 424556414 HDYQZOXJOMDIEY-UHFFFAOYSA-N 290.388 3.622 30 20 CHED CC[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCC(C)CC1 424963431 DEUQIZJQLHJRRG-VQPKISINSA-N 276.424 3.647 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1cccs1 425127329 ISKUZARNZPMZKO-QWHCGFSZSA-N 298.411 3.943 30 20 CHED C=C(C)CNC(=O)c1ccccc1Nc1cccc(OC)c1 428127356 YFKGJAFSEZHBSJ-UHFFFAOYSA-N 296.370 3.745 30 20 CHED CCN(Cc1ccccc1Cl)[C@@H]1CC[C@@H](C#N)C1 429704904 BRCSRCBHULQDGM-TZMCWYRMSA-N 262.784 3.854 30 20 CHED COC[C@H](C)n1c(-c2cccc(C#N)c2)nc2ccccc21 435717017 YSXSAUGOHXYVQP-ZDUSSCGKSA-N 291.354 3.782 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc(Cl)ccc1F 435737101 DMTKGMYEKZSGRS-XHDPSFHLSA-N 283.774 3.550 30 20 CHED Cc1ccc(/C=C/c2nc(C(=O)O)ccc2C#N)cc1Cl 435749011 QRBMRSBNVVGEAM-GQCTYLIASA-N 298.729 3.784 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(O)c(OCC)c2)no1 436877356 OJXPMSHCARYPAQ-INIZCTEOSA-N 288.347 3.695 30 20 CHED C=CC1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)CC1 438512638 BATTVIVXEBBIBX-UHFFFAOYSA-N 293.436 3.871 30 20 CHED COCc1cccc(NCc2ccc(C#N)c(C)c2)c1 443963455 KAFNQYCKXPONNN-UHFFFAOYSA-N 266.344 3.625 30 20 CHED CC1(C)CCCN(Cc2ccc(F)cc2Cl)[C@@H]1C#N 444718289 KQSNHRYRRHLXMI-CQSZACIVSA-N 280.774 3.993 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)Cc1cccc(Cl)c1 449547622 JCTVCGZOPZWWIJ-MAZHCROVSA-N 279.811 3.594 30 20 CHED CC(C)(CCC#N)CN1CCC[C@@]2(CCSC2)C1 449729272 ACHZSAXXBODFCC-OAHLLOKOSA-N 266.454 3.535 30 20 CHED C=CCC1(C(=O)N(C)Cc2csc(C)n2)CCCC1 449815032 UZOHKORBJDDDQH-UHFFFAOYSA-N 278.421 3.546 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1c1ccc(C)cc1 449984189 GQKWALVDDPFWBQ-KURKYZTESA-N 299.414 3.640 30 20 CHED C=C1CCN(Cc2ccc(Cl)c(OC)c2)CC1 450394283 PWJCDECROCKKAD-UHFFFAOYSA-N 251.757 3.501 30 20 CHED CC#CCCCC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 452399859 RIAXKZBYGPWJBK-ZWKOTPCHSA-N 283.415 3.880 30 20 CHED C=CC[C@H](C(=O)NCC(C)(C)C=C)c1ccccc1 452775742 PFNGFRLUZQCRLS-HNNXBMFYSA-N 257.377 3.675 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1ccc(Cl)c(F)c1 455361711 DYQRLARFWJBHPZ-UHFFFAOYSA-N 298.789 3.833 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@H]1C[C@H]2CC[C@H]1O2 455634577 WMVWUPYUOZMUAL-BRWVUGGUSA-N 291.435 3.539 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 457011596 IMVVPJPJXIELGW-QGZVFWFLSA-N 298.430 3.776 30 20 CHED N#C[C@H](NC(=O)c1[nH]ccc1C1CC1)c1ccccc1Cl 457594245 ZGXSBBNPCFGQME-AWEZNQCLSA-N 299.761 3.540 30 20 CHED C[C@@H]1C[C@H](NCC(C)(C)CC#N)CCN1Cc1ccccc1 459726287 DSWKYXIBOQIJCJ-SJLPKXTDSA-N 299.462 3.569 30 20 CHED CC(C)CC[C@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 461779180 URIKPBVRCWSWEF-KBPBESRZSA-N 272.392 3.603 30 20 CHED C[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)c1cccc(C#N)c1 461900157 RLISPYYPDRTYGC-GFCCVEGCSA-N 289.338 3.782 30 20 CHED C[C@H](C(=O)NCC[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 462064889 HMFUAOZTIZCJRO-HLLBOEOZSA-N 298.430 3.994 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H]1CCN(c2ccccc2F)C1 462808832 WLYMZPBREFQQIU-XHSDSOJGSA-N 290.426 3.842 30 20 CHED C=CC[C@H](CC)NC(=O)NC(C)(C)c1cccs1 466367562 WNCUAZJSHCXTSM-NSHDSACASA-N 266.410 3.637 30 20 CHED C=CCCN(C)C(=O)[C@H](C)CSc1ccc(F)cc1 466633673 HHWYNXBPVLCWEO-GFCCVEGCSA-N 281.396 3.588 30 20 CHED C=CCC(CC=C)C(=O)NCCOc1cc(C)cc(C)c1 467335624 LFPSHGMUSRAWIW-UHFFFAOYSA-N 287.403 3.567 30 20 CHED C=CCOCCCN1C[C@H](c2ccc(C)cc2)C[C@H]1C 470865298 GAPXZRSTFOVIKW-SJLPKXTDSA-N 273.420 3.766 30 20 CHED C=CCCCCNC(=O)c1cc(C)cc(Cl)c1 471670377 ZBTXGZPDMPIQKJ-UHFFFAOYSA-N 251.757 3.735 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[C@@H](C)C1 475483843 WDWBHDJZTNMPIZ-NVXWUHKLSA-N 286.419 3.820 30 20 CHED CCC[C@@H](CC)Sc1ncc([N+](=O)[O-])cc1C#N 480845504 MFPSBKHRDYGBKU-LLVKDONJSA-N 265.338 3.532 30 20 CHED CCCCN(Cc1cc(C#N)n(C)c1)Cc1ccccc1F 483185507 NNXUOVOZOBPBMO-UHFFFAOYSA-N 299.393 3.838 30 20 CHED C[C@@H](CC(=O)Nc1nc2c(cc1C#N)CCCC2)C(C)(C)C 484146585 YNQUIVKLZFWGOZ-LBPRGKRZSA-N 299.418 3.843 30 20 CHED CN(Cc1cc(F)cc(Cl)c1)Cc1cccc(C#N)c1 485704282 WKLIBWZBKASRSI-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1SC 486757328 BANGGUGMGQFMHJ-LBPRGKRZSA-N 276.405 3.981 30 20 CHED CN(Cc1ccccc1C(C)(C)C#N)CC(C)(C)C 487360001 DUHVAFDGHCZHAK-UHFFFAOYSA-N 258.409 3.966 30 20 CHED C=CCN(Cc1cc(C)n(C)n1)Cc1ccc(Cl)s1 487396459 GNWQFWGUDQEQKB-UHFFFAOYSA-N 295.839 3.632 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccc(SCC)cc1 488878423 MHUHEADYFBBTBV-OAHLLOKOSA-N 289.444 3.908 30 20 CHED CC(C)(C#N)CC(=O)NCC1CCC(C(C)(C)C)CC1 501364661 UJIDIFLOOUJWSS-UHFFFAOYSA-N 278.440 3.895 30 20 CHED C=CCN(CC=C)Cc1cc(C)ccc1OC(F)F 505872337 MFGSPWXMJXBLAI-UHFFFAOYSA-N 267.319 3.770 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)CC(C)C 506645826 JKCBJDCWMWQLLO-HNNXBMFYSA-N 274.408 3.819 30 20 CHED CC[C@@H](C)CCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 510331587 LOFBGQWGCYJSJA-BXUZGUMPSA-N 278.783 3.847 30 20 CHED CCC[C@H](C)CC(=O)Nc1cc(C#N)cn1C(C)(C)C 518125240 JSJDIGGLRJKKQD-LBPRGKRZSA-N 275.396 3.880 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](Oc1ccccc1)c1ccccc1 522645144 BPCDHXVESNHYAX-QAPCUYQASA-N 295.382 3.888 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](c2cccc(C)c2)C1 529021927 XSOMOIRILWQTQA-INIZCTEOSA-N 284.403 3.641 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(c2ccsc2)CC1 529067885 IJFZZBRBHGKWBK-UHFFFAOYSA-N 290.432 3.784 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 529224095 VUISXZAWSBRNQQ-MRXNPFEDSA-N 298.430 3.949 30 20 CHED Cc1cn(CC[C@@H](C)OCc2ccccc2)cc1C#N 530436931 SQSZHOFODDVZBZ-OAHLLOKOSA-N 268.360 3.664 30 20 CHED CC1CC(C#N)(C(=O)N2CCc3c(cccc3C(C)C)C2)C1 530458743 XRSJSMZJBVYUPI-UHFFFAOYSA-N 296.414 3.635 30 20 CHED N#Cc1ccc(CN[C@H](c2cccs2)C2CC2)c(F)c1 532588871 RGGRMKFXEGINMZ-INIZCTEOSA-N 286.375 4.000 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(F)cc1O)c1ccccc1 536220962 WZMHWTMACMSEBZ-LBPRGKRZSA-N 285.318 3.830 30 20 CHED CSc1cccc(NC(=O)C2(C#N)CC(C)C2)c1C 537173341 MJPGLSREUALTRS-UHFFFAOYSA-N 274.389 3.595 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)ccc1F 537407388 KCCHTFDJRQOJSF-GFCCVEGCSA-N 286.325 3.996 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 539299343 XYBRMCBUHBNXKS-RRQGHBQHSA-N 293.838 3.750 30 20 CHED C=CCC[C@@H](NCc1ccc(OC)cc1C)C1CC1 540164139 JHROZIMIERCPMR-QGZVFWFLSA-N 259.393 3.838 30 20 CHED C=C(C)CCc1noc(-c2cnn(-c3ccccc3F)c2)n1 552043049 RYYCHDZJAIPORU-UHFFFAOYSA-N 298.321 3.570 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)Nc1cc(C#N)ccn1 553152161 CMWVGETXZYFRCQ-CHWSQXEVSA-N 251.333 3.557 30 20 CHED CCN(Cc1ccc(Cl)cc1)[C@@H]1CC[C@H](C#N)C1 555334194 PURIZSKQZVLOFN-DZGCQCFKSA-N 262.784 3.854 30 20 CHED C[C@@H]1CC[C@H](CNC2CCN(c3ccc(C#N)cc3)CC2)C1 560545794 WPYQFDUPXFNSRA-WBVHZDCISA-N 297.446 3.553 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCC(F)(F)c1ccccc1)CC2 562103403 KYPOVYOMCKCOCI-KRWDZBQOSA-N 298.336 3.927 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(C)s2)no1 564129477 NZGULYIDPYNDNT-AWEZNQCLSA-N 262.378 3.884 30 20 CHED Cc1cccc(CN2CCC(CCC#N)CC2)c1F 565364537 DTCLDNALDMKRAB-UHFFFAOYSA-N 260.356 3.650 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1scc(C)c1C#N 566420963 SYPSATNIPYVCOP-MWLCHTKSSA-N 277.393 3.581 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2cccc3ccsc23)C1 570275063 GAKLYUQVCNBLOL-CMPLNLGQSA-N 285.372 3.715 30 20 CHED CC[C@H](C)n1ncc(Nc2ncc(C#N)cc2F)c1C1CC1 572940011 ZWKJZQIXRGQOLN-JTQLQIEISA-N 299.353 3.881 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)Cc2ccsc2)c1 574278276 IEVUBGYPYOYWER-GFCCVEGCSA-N 299.399 3.681 30 20 CHED C=CCNC(=O)CSCc1ccc(C2CCCC2)cc1 577894460 JTNTVJCJVIJLPK-UHFFFAOYSA-N 289.444 3.880 30 20 CHED CCCN(CC#N)C(=O)c1cc2cccc(Cl)c2s1 578324856 ZKQRNNVLURVCQH-UHFFFAOYSA-N 292.791 3.930 30 20 CHED CC[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@@H](CC)O1 583805514 UWSCWEFVTNMLJC-HZPDHXFCSA-N 295.386 3.500 30 20 CHED CC(F)(F)CCC(=O)Nc1cc(C#N)ccc1NC1CC1 586819160 RUXBYPVNGJMPPT-UHFFFAOYSA-N 293.317 3.506 30 20 CHED N#CCCCCCC(=O)N1Cc2ccccc2C(F)(F)C1 588162113 ODZVFQDIFCTJCO-UHFFFAOYSA-N 292.329 3.595 30 20 CHED N#Cc1cc(Cl)ccc1CON=Cc1ccc(F)cc1 588510209 MGWIDSSJZRCSOT-UHFFFAOYSA-N 288.709 3.901 30 20 CHED CCN(CC)c1ccc(/C=N\Cc2ccncc2C)c(O)c1 588523159 JLVUQKPIIBDONB-MOSHPQCFSA-N 297.402 3.561 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)CCCCCC#N 588652366 QAXBIBWPKAHIFA-HUUCEWRRSA-N 264.413 3.888 30 20 CHED Cc1ccc(CCC(=O)N[C@H](C)c2cccc(C#N)c2)s1 589437779 GKDMJUBPZHGASX-CYBMUJFWSA-N 298.411 3.738 30 20 CHED Cc1nc(CSc2cccc(F)c2C#N)cs1 590596244 PGTIWTZTVATCIG-UHFFFAOYSA-N 264.350 3.755 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)CCC1CCCCCC1 594033530 RGFUKTABGOHVOD-MRXNPFEDSA-N 262.397 3.545 30 20 CHED C[C@H](CCc1ccsc1)NCCc1ccc(C#N)cc1 595055744 ILPXTJLMWKYHGI-CQSZACIVSA-N 284.428 3.773 30 20 CHED CCc1nc(CSCC2(CC#N)CC2)cs1 596335178 DVQAJXXSOVLFNS-UHFFFAOYSA-N 252.408 3.633 30 20 CHED N#Cc1ccc(CCSCc2cc3n(n2)CCCC3)cc1 596372783 DYRBCMYLSPPRQX-UHFFFAOYSA-N 297.427 3.567 30 20 CHED N#CC1(CC(=O)N[C@@H]2CCc3ccccc32)CCCCC1 598195268 ZNWROSOFURFYFM-MRXNPFEDSA-N 282.387 3.654 30 20 CHED C=CCOc1ccc(-c2nc(Cc3cccs3)no2)cc1 598557738 YZRNWQABXSTTSE-UHFFFAOYSA-N 298.367 3.954 30 20 CHED COc1ccc(Br)cc1OCC1(C#N)CCC1 598730525 PLPQBPAVFOZIQH-UHFFFAOYSA-N 296.164 3.530 30 20 CHED CN(c1ccc(C#N)nc1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 598848456 SIQIBTQNRYNANG-SHTZXODSSA-N 297.402 3.523 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 600180125 ZRJPGBHINBKLAY-JTQLQIEISA-N 288.338 3.893 30 20 CHED CCCN(C)c1ccccc1N[C@@H]1CC[C@H](C#N)C1 600215433 LDFCBGSVUNPIOW-UONOGXRCSA-N 257.381 3.637 30 20 CHED N#C[C@H]1CC[C@H](N2CCc3ccc(C(F)(F)F)cc3C2)C1 602928479 OGBZURZFKITSMU-NHYWBVRUSA-N 294.320 3.756 30 20 CHED Cc1cccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 610316986 LMMOJOFOBRLWIB-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED Cc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)sc1C 610362553 PLQXEYLPIFMIQM-NSHDSACASA-N 284.384 3.728 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)C1CCCC1 610521657 LMIOLLLZPWVZHQ-BEFAXECRSA-N 298.430 3.844 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)cc2F)ccc1F 610812832 UXEAWWPGZVEKSN-LBPRGKRZSA-N 286.325 3.996 30 20 CHED C[C@@H](NC(=O)[C@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 611118312 RTKLXIKTXIOSHL-CJNGLKHVSA-N 284.403 3.952 30 20 CHED CCc1ccc(C(C)(C)C(=O)N[C@H](C#N)CC(C)C)cc1 611250220 FYMJSATYXMWWFT-INIZCTEOSA-N 286.419 3.581 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CC=CCC1 611394820 HOQHRNKBDUMIBV-NVXWUHKLSA-N 252.361 3.634 30 20 CHED C=CCCNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 617614886 RORNWKLKOYHWAW-NSHDSACASA-N 285.309 3.891 30 20 CHED C=CCCNC(=O)c1sc2ccc(OC)cc2c1C 617616180 MKBCMTQRIQIDKJ-UHFFFAOYSA-N 275.373 3.524 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 617779748 IHEHCHGJWCTCQW-XOKHGSTOSA-N 287.378 3.744 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCc3c(O)cccc32)C1 617780240 RCASWEKUWOGSAB-PBHICJAKSA-N 299.414 3.627 30 20 CHED C=CC[C@H](CC)NC(=O)NC12CC(c3ccccc3)(C1)C2 641827847 RPRZXJQKMJLCOB-ZLPCBKJTSA-N 284.403 3.515 30 20 CHED C=C(C)CCNCc1c(Cl)ccc2cccnc12 648727227 LEOMAAKOFFYJBM-UHFFFAOYSA-N 260.768 3.944 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCc2sccc2C)C1 660477183 JIZZQIJTBBWJAZ-CYBMUJFWSA-N 278.421 3.554 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](CC)CCC)C1 660499996 PKBXNNOCJCCQFT-UONOGXRCSA-N 252.402 3.563 30 20 CHED C=CCCCC[C@@H](C)NC[C@H]1CCCN(CC2CC2)C1 663466484 UMFUWHSOVMESRP-SJLPKXTDSA-N 278.484 3.833 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2cc(C)ccc2s1 685744807 MKRLMZNMSLQQPU-NSHDSACASA-N 259.374 3.904 30 20 CHED CSC1CC(Nc2cccc(OCCCC#N)c2)C1 706742159 JHGWBCNAAZKCCF-UHFFFAOYSA-N 276.405 3.675 30 20 CHED C#CCCCCC(=O)N1CCC(C2CCCCC2)CC1 708833685 HJRIKNWVHVRYRM-UHFFFAOYSA-N 275.436 3.999 30 20 CHED COc1cccc(NN=C/C=C/c2ccccc2)c1 725853062 DLUKTCWEDXQZKO-VFXUPEKQSA-N 252.317 3.806 30 20 CHED C=CCCC(=O)O[C@H](C)C(=O)c1cc(C)c(C)cc1C 726652990 ZAVHHSWEXKAFER-CQSZACIVSA-N 274.360 3.692 30 20 CHED C#Cc1cccc(NC(=O)C[C@H](C)c2ccccc2F)c1 726751913 WBNFBAOZQBHQCQ-ZDUSSCGKSA-N 281.330 3.939 30 20 CHED C#CCCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727955016 ISBZVVBUSABVFQ-MNOVXSKESA-N 283.154 3.663 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cccnc2C)c1 728787855 UTXLJWGBZFTVFL-MDZDMXLPSA-N 267.328 3.685 30 20 CHED C=CCNC(=S)N[C@@H](C)c1ccc(SC(C)C)cc1 728794328 SIOXWIVUXBDLSI-LBPRGKRZSA-N 294.489 3.898 30 20 CHED Cc1cccc2c1CCC2=NNc1ccc(F)cc1 729140293 AHNGGAJDDLYXIT-UHFFFAOYSA-N 254.308 3.897 30 20 CHED CC(=NNc1ccc(C)nn1)c1cc(C)c(C)cc1C 729936395 RNPVZXWRERVMKL-UHFFFAOYSA-N 268.364 3.546 30 20 CHED CC[C@H](CC(=O)OCc1ccc(OCC#N)cc1)C(C)C 733488332 WLJPKZRITZCZHX-OAHLLOKOSA-N 289.375 3.704 30 20 CHED COc1ccc(O)c(/C=N/Cc2coc3ccccc23)c1 733903983 SZOYKWRNEVXYFE-GIJQJNRQSA-N 281.311 3.766 30 20 CHED C=CCCCOC(=O)COc1cccc(C(C)C)c1 735530286 XMLUAQJSFMABIS-UHFFFAOYSA-N 262.349 3.698 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)/C=C/c1ccccc1C#N 736052915 MLPJWTBRWDDGQG-HBWSCVEGSA-N 284.403 3.902 30 20 CHED Cc1ccc(CC(=NNc2oc(C)nc2C#N)C(C)C)cc1 741461578 LEYWQBZAHQPUMY-UHFFFAOYSA-N 296.374 3.830 30 20 CHED Cc1cc(C=NNC2CCCC2)c(OC(F)F)cc1C 743438846 RKSZDLAJQREUIW-UHFFFAOYSA-N 282.334 3.771 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc(Cl)nc2)o1 743450563 MUTAXYVANCQOLU-BXKDBHETSA-N 275.739 3.897 30 20 CHED C(=NNCCCOc1ccccc1)c1coc2ccccc12 746575688 KIISNOAVBVRMMT-UHFFFAOYSA-N 294.354 3.825 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=Cc1sccc1C 747062059 SALIRPXZXOLPGC-UHFFFAOYSA-N 275.333 3.719 30 20 CHED O=C(C#Cc1ccccc1)N1CCCC2(CCCCC2)C1 747389105 KEEGZWRNBHGWNC-UHFFFAOYSA-N 281.399 3.611 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\Cc1cccc(F)n1 747690214 FDKWNWWBOZSMIP-FMQZQXMHSA-N 299.132 3.852 30 20 CHED N#Cc1cccc(OCCSCCc2cccs2)c1 749700325 XURQXOUCVBEGCH-UHFFFAOYSA-N 289.425 3.974 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3c(c2)CCN3C)ccc1O 751535234 MWYUWSOFYOOSHW-QPJJXVBHSA-N 293.366 3.589 30 20 CHED O=C(CON=C(c1ccccc1)C(F)(F)F)C1CCCC1 751954809 MSJWSZSNFCMGOR-UHFFFAOYSA-N 299.292 3.729 30 20 CHED CCc1ccc(C(C)=NNc2cc(F)cc(F)c2)o1 752163674 BKPTUFPXWHLARL-UHFFFAOYSA-N 264.275 3.956 30 20 CHED COc1cccc(CC(=NOCc2cccnc2)C2CC2)c1 752736377 WFWRZHUSCRCALT-UHFFFAOYSA-N 296.370 3.616 30 20 CHED C#CCOCCN[C@H](CCc1ccccc1)c1ccccc1 753761627 ODUGNSQUAOUJSC-HXUWFJFHSA-N 293.410 3.600 30 20 CHED C#C[C@H](CC)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 754393633 CKSZYJSTGLBBQH-NXEZZACHSA-N 284.186 3.625 30 20 CHED COCCON=C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 754704295 BKWXMZPYEHMVKR-AWEZNQCLSA-N 277.408 3.812 30 20 CHED CCCCCCCCNC(=O)NCCc1ccc(C)nc1 754853076 AAYUCIVIZVFENP-UHFFFAOYSA-N 291.439 3.592 30 20 CHED C=C(C)COC(=O)[C@@H](C)CSc1ccc(F)cc1 756235312 YDXDDEDTYWAXKS-NSHDSACASA-N 268.353 3.673 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(F)ccc2O)cc1F 757466884 ACTHLOWYQDJHLN-DJWKRKHSSA-N 290.265 3.575 30 20 CHED C#CC[C@@H](NC(=O)N1C[C@@H](C)CC1(C)C)c1ccccc1 757762333 OKNONYGJVJWLKF-GOEBONIOSA-N 284.403 3.581 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C=C(CC)CC 759281988 KNAOLPYXLNLJGB-UHFFFAOYSA-N 273.332 3.609 30 20 CHED C#CCOc1ccc([C@H](C)NC2Cc3ccccc3C2)cc1 762775570 BFBPDGRBOUIEDE-HNNXBMFYSA-N 291.394 3.517 30 20 CHED CC#CC(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 764479613 NFNDPQKMYNCPSF-UHFFFAOYSA-N 297.329 3.675 30 20 CHED C#CC[C@H](Nc1ncc(Cl)s1)c1ccccc1 765055633 MAXAVUQPBDTMOI-NSHDSACASA-N 262.765 3.973 30 20 CHED Cc1cc(OC(=O)C[C@H]2CC[C@@H](C)C2)ccc1C#N 765093152 GGGAESIVQPGLRO-YPMHNXCESA-N 257.333 3.598 30 20 CHED Cc1cc(OC(=O)/C=C2/CC[C@H](C)C2)ccc1C#N 765117986 LODQHVAKNCMBKL-KWJWQAOWSA-N 255.317 3.519 30 20 CHED C=CC[C@@H]1N(C(=S)N[C@H](C)CC)CCCC1(C)C 766525963 STXVESURBJEPAE-OLZOCXBDSA-N 268.470 3.726 30 20 CHED C#CCCOC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 766619716 WCABHSNFVQDYDS-CVEARBPZSA-N 280.408 3.709 30 20 CHED Cc1cscc1C(=O)OCCCCC(C)(C)C#N 768749730 YUJBTLYMJZOJEI-UHFFFAOYSA-N 265.378 3.933 30 20 CHED C[C@H](OC(=O)C[C@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 769307938 XBNXVRMKOLYBAW-HEHGZKQESA-N 271.360 3.989 30 20 CHED COc1ccc2cc(/C=C/C(=O)OC[C@@H](C)C#N)ccc2c1 770941630 ICWPNLOOOGIQSL-GBVBUYCNSA-N 295.338 3.564 30 20 CHED CCCCCCCC(=O)OCc1ncc(C)s1 771916586 AUYLQTNNBPGTMT-UHFFFAOYSA-N 255.383 3.855 30 20 CHED C#CC[C@H](N[C@@H](C)c1ccc(F)cn1)c1ccccc1 773114380 IZGFHHURPHFSFX-GUYCJALGSA-N 268.335 3.636 30 20 CHED CCc1ccc(/C=C2/C(=O)Nc3cc(C#N)ccc32)s1 773158639 CNVKOUMZBUUJNU-RIYZIHGNSA-N 280.352 3.675 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc(Cl)s1 773164311 ZPRBXFHZLSPKFE-IZZDOVSWSA-N 286.743 3.766 30 20 CHED C#C[C@H](C)NC(=O)N(CCC)[C@H](CC)c1ccccc1 773592176 DQWIMTHKTYCMOB-GOEBONIOSA-N 272.392 3.581 30 20 CHED C#CCCCCC(=O)OCCc1c(F)cccc1Cl 773636067 SXLBRWVOZPZQAL-UHFFFAOYSA-N 282.742 3.758 30 20 CHED C[C@H](OC(=O)c1ccoc1Cl)c1cccc(C#N)c1 774079316 WWRINLMDBAWIEG-VIFPVBQESA-N 275.691 3.723 30 20 CHED C=C(C)[C@H](NC(=S)N[C@H](C)CC)c1ccc(F)c(F)c1 774207116 RJRASGUZBILTBX-YGRLFVJLSA-N 298.402 3.845 30 20 CHED CC(C)[C@@H]1C[C@@H]1COC(=O)c1cc2ccccc2n1CC#N 774861471 JJLMBZBVAHBJOX-CABCVRRESA-N 296.370 3.614 30 20 CHED CC(C)[C@@H](NCc1cc(C#N)ccc1F)c1ccccn1 775446619 QCBRWELWTSWTGN-QGZVFWFLSA-N 283.350 3.579 30 20 CHED C=CCN(Cc1nc2ccc(OC)cc2s1)C(C)C 775571338 FRPNYCSYEZUAFF-UHFFFAOYSA-N 276.405 3.701 30 20 CHED C#CC[C@H](NC(=O)N[C@H](C)CCCC=C)c1ccccc1 775756122 XTHNLTDVYRCYDK-WBVHZDCISA-N 284.403 3.795 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)[C@@H]1CCCOC1 779771918 DYTOFRUNMISRNH-LLVKDONJSA-N 284.306 3.502 30 20 CHED C#CCCCN1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 781947401 JSDYUPJKKOUBLH-CZUORRHYSA-N 277.795 3.515 30 20 CHED CCC(CC)(CNc1nc2ccccn2c1C#N)SC 782337729 SZEWOHKFLUHIQH-UHFFFAOYSA-N 288.420 3.540 30 20 CHED Cc1c(Cl)ccc(C(=O)OCCCC(C)(C)C#N)c1N 783125639 UVMZKBNQKREWNL-UHFFFAOYSA-N 294.782 3.717 30 20 CHED CCc1nnc(CSCc2ccc(F)cc2C#N)s1 783897089 ANJCOOCDTHAYQX-UHFFFAOYSA-N 293.392 3.545 30 20 CHED COc1ccc(Cl)cc1/C=C\C(=O)c1cncs1 787170489 WTNIMJCUJNXYEX-RQOWECAXSA-N 279.748 3.701 30 20 CHED C#CCC1(C(=O)N2CCc3cccc(F)c32)CCCCC1 788233952 YLNIJZVDESYNCN-UHFFFAOYSA-N 285.362 3.689 30 20 CHED C#CCC1(C(=O)Nc2cccc(Cl)c2O)CCCCC1 788522290 XKZWDUPAYGZGLL-UHFFFAOYSA-N 291.778 3.958 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccccc2)cc(Cl)n1 788715351 XNSCTMQXLILGPZ-GFCCVEGCSA-N 273.767 3.728 30 20 CHED Cc1cc(C)c2c(c1)OCCC2=NNc1ncccc1C 790185239 DZCDPVADDDXSDO-UHFFFAOYSA-N 281.359 3.606 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1ccnc(O)c1 790297438 OXDYXIGOOUYJPF-UHFFFAOYSA-N 269.348 3.549 30 20 CHED Cn1ccnc1NN=C(CC(C)(C)C)c1ccccc1 790301035 DPCDCOIUXIAHAX-UHFFFAOYSA-N 270.380 3.673 30 20 CHED C#C[C@H](CCC)NC(=O)C(c1ccccc1)c1ccccc1 791202083 WKATYZIRQOFEGW-GOSISDBHSA-N 291.394 3.737 30 20 CHED N#Cc1cc(C(=O)OCCCCCF)ccc1Cl 792133025 BWZJEVGLQFBHIY-UHFFFAOYSA-N 269.703 3.508 30 20 CHED CC[C@@H](C)CON=C(C)CCc1ccccc1[N+](=O)[O-] 793160975 YQFAYYVBPROREO-GFCCVEGCSA-N 278.352 3.966 30 20 CHED O=C(/C=C\c1ccc(Cl)s1)c1ccnc(F)c1 794718622 CANRBWSVZFUKGG-IWQZZHSRSA-N 267.712 3.832 30 20 CHED CC(=NNc1cccc(F)n1)c1cc(C)ccc1C 795009490 ASOVEKDEQRIUPZ-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OC2CCCC2)cc1 796040164 VOWXJQCWBLHMCL-UHFFFAOYSA-N 257.333 3.587 30 20 CHED C=CCOCCOC(=O)C1(c2cccs2)CCCCC1 797294589 HUXXJDOGVUPHKB-UHFFFAOYSA-N 294.416 3.696 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1cc2c(C)cccc2[nH]1 797952969 WXNCDDPLQFVFPO-UHFFFAOYSA-N 294.310 3.606 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CCCC(F)(F)C2)c1 800721403 MKQMKQYKZOIJBD-VJCPFXPRSA-N 298.289 3.545 30 20 CHED CC(C)C(Cn1cccn1)=NNc1cccc2cnccc12 802711060 HKXUBUDHCLLDNN-UHFFFAOYSA-N 293.374 3.555 30 20 CHED C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CCCCC1 802713148 DAMSIKOMXLCEGO-CYBMUJFWSA-N 288.391 3.646 30 20 CHED COc1cccc(C=NOCCSC(C)(C)C)c1OC 802726531 LTXIHZFSZOJDFI-UHFFFAOYSA-N 297.420 3.586 30 20 CHED C=CCCCCCCNC(=O)c1ccc([N+](=O)[O-])s1 805218915 PEZNCOQHDCRPLB-UHFFFAOYSA-N 282.365 3.523 30 20 CHED C=CCCCCCCNC(=O)c1ccc(C)s1 805219236 BHOKCXFKIHQSIW-UHFFFAOYSA-N 251.395 3.923 30 20 CHED CC(C)[C@H](C#N)OC(=O)[C@H](C)Cc1cncc2ccccc12 805873605 MPRACPPUFBPNGJ-DYVFJYSZSA-N 296.370 3.505 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnccc1C#N 807583983 NCQRJXMSQWVJAJ-UHFFFAOYSA-N 287.407 3.776 30 20 CHED CCSCC(=NNc1ncccc1C)c1ccccc1 807984649 SRTMLGPLHOOPQV-UHFFFAOYSA-N 285.416 3.959 30 20 CHED Cc1ccc([C@@H]2CCCC2=NN[C@@H]2CCSC2)cc1 807999886 WWBAHLUMCWBPHF-CABCVRRESA-N 274.433 3.714 30 20 CHED Clc1ccc(C2CC(=NN[C@@H]3CCSC3)C2)cc1 808003347 MQBAQQRIMMXEEC-GLGOKHISSA-N 280.824 3.669 30 20 CHED CCOc1ccccc1C=NOCC[C@H](O)c1ccccc1 808244464 BLBGMWRFVMFXMW-KRWDZBQOSA-N 299.370 3.560 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1C)C(C)(C)C 808315450 FNISSPRBUQRGKM-SJORKVTESA-N 298.430 3.889 30 20 CHED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCC#N 812461062 DVMHHSUVCYQIDI-UHFFFAOYSA-N 298.308 3.748 30 20 CHED CC(=NNc1ccnc2cc(Cl)ccc12)c1c[nH]nc1C 814693646 BEANMQVOSKXPIF-UHFFFAOYSA-N 299.765 3.756 30 20 CHED CC(C)[C@H]1CC(=NNc2ccc(Cl)nc2)CS1 814859423 UFAWUTYDZFWVDF-LLVKDONJSA-N 269.801 3.664 30 20 CHED COc1ccc2nc(NN=C3CC(C)C3)c(C)cc2c1 814899511 ZXOSKMLVJZRQIJ-UHFFFAOYSA-N 269.348 3.750 30 20 CHED C=CCC(C)(C)c1noc(CSC(F)(F)F)n1 815706771 XDRTWNACXQOLDM-UHFFFAOYSA-N 266.288 3.676 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C(F)=C3CCCC3)[nH]c12 815954919 NVRQFXGBCQWTRF-LBPRGKRZSA-N 297.333 3.845 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1nc(C2CC2)cs1 816011554 SEEAPLHNYOQLPY-MRVPVSSYSA-N 287.331 3.836 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2cc(C)nc(C)c2)cc1 817590113 TWPAUGGEQISLOW-MRXNPFEDSA-N 294.398 3.561 30 20 CHED COc1cc(C(=O)/C=C/c2ccccc2C(F)(F)F)on1 821023156 YGSBDRSGAIMPSO-VOTSOKGWSA-N 297.232 3.598 30 20 CHED CC(C)C#CC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 824381120 TWDXKLBPQDBWFW-UHFFFAOYSA-N 296.197 3.758 30 20 CHED Fc1cccc2c1CC[C@@H]2NN=C1CCCc2cccnc21 835020232 KRKKNEAERHNARM-INIZCTEOSA-N 295.361 3.538 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(C)cs1 835038327 VWGIMGIPAWOXBG-JHJVBQTASA-N 276.405 3.844 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)c2cc(C#N)[nH]c2C)cc1 837068880 KESWVHHHDFAIJB-UHFFFAOYSA-N 295.386 3.806 30 20 CHED CC(C)(C)C#CC(=O)NCCc1cccc2ccccc12 837343465 NDHYEEJQXVOHIW-UHFFFAOYSA-N 279.383 3.548 30 20 CHED CC/C(=C\C(=O)OCC1(C#N)CCC1)c1ccc(OC)cc1 837588235 JNGXDQVWSWEICF-SDNWHVSQSA-N 299.370 3.726 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H](C)Cc1cncc2ccccc12 839040406 NRLYUTNGUQBTFI-GJZGRUSLSA-N 295.382 3.759 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Oc1ccc(C#N)c(C)c1 839339510 IZWRBTUPWXYFBJ-JTQLQIEISA-N 285.265 3.751 30 20 CHED Cc1c(Cl)cccc1NC(=S)N(C)CC(C)(C)C#N 840748603 FSLDQISTKDZFSJ-UHFFFAOYSA-N 295.839 3.827 30 20 CHED CC(CCCCC#N)=NNc1oc(CC(C)C)nc1C#N 841622294 WLSDJFKKWYOQMY-UHFFFAOYSA-N 287.367 3.617 30 20 CHED CO[C@@H](C)C(C)=NNc1cccc(Cl)c1Cl 841645963 UMDRMTPKXKBHMU-QMMMGPOBSA-N 261.152 3.816 30 20 CHED CC[C@H]1CCC1=NNc1cc(CO)ccc1Br 841653373 HEUMHBJRICJMLY-JTQLQIEISA-N 297.196 3.529 30 20 CHED COc1cccc(C=NOCc2ccc(C)cc2C)c1OC 842019397 RBYUJZSFMMUTLR-UHFFFAOYSA-N 299.370 3.871 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccnn2CC(C)C)o1 843269793 RBNJOMBTBQWDIB-ALCCZGGFSA-N 272.348 3.591 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCc2cc(C(C)C)ccc21 845229272 PZXVWIUGIINOBW-ZDUSSCGKSA-N 270.376 3.639 30 20 CHED C=C(C)CONC(=O)N(Cc1ccccc1)[C@H](C)CC 845600030 YODZLQQFTOHLDB-CQSZACIVSA-N 276.380 3.504 30 20 CHED COCc1ccc([C@H]2CCCN2c2ccc(C#N)cc2C)o1 846756561 ZNBNFAXZKNMCON-QGZVFWFLSA-N 296.370 3.948 30 20 CHED C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 846964731 RFEWWXMICADPAC-NXOAAHMSSA-N 293.451 3.521 30 20 CHED CCC(=O)c1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851206143 MUAFBBCRSUVQGN-GFCCVEGCSA-N 287.359 3.764 30 20 CHED CS[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccccc1 851210347 UEHWDVFZSVSWAG-JSGCOSHPSA-N 291.416 3.962 30 20 CHED CSc1cc(C)c(C(=O)O[C@H](C)CC(C)(C)C#N)o1 853135041 PDFQKRDAEZTCDT-SNVBAGLBSA-N 281.377 3.795 30 20 CHED C/C=C/C=C\C(=O)N1CCCSC1=Nc1ccccc1 859323298 ZCAKOIZSAKENAO-CBGWDLDTSA-N 286.400 3.772 30 20 CHED N#Cc1cccc(Br)c1SC[C@H]1CCCO1 865726045 JQRPSQVKDTVLQO-SNVBAGLBSA-N 298.205 3.592 30 20 CHED C#CCCCCCCNc1ccc2c(c1)NC(=O)CS2 876873435 GQBJQKHFLOUMOR-UHFFFAOYSA-N 288.416 3.726 30 20 CHED C[C@@H](CCC#N)CNC[C@H](O)c1ccc(C(C)(C)C)cc1 877039906 QXNDUODFEVEFJN-YOEHRIQHSA-N 288.435 3.547 30 20 CHED COc1ccc(NC[C@@H](C)CCC#N)cc1OC(C)C 877352889 LRIJOQCAODHBLM-ZDUSSCGKSA-N 276.380 3.834 30 20 CHED C#CC[C@H](CCOC)N[C@@H](C)CCc1c[nH]c2ccccc12 877661090 XCBWTTIRLVSAHY-DOTOQJQBSA-N 298.430 3.507 30 20 CHED CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccsc1 892558051 JAVRNVLGSUQJSL-AWEZNQCLSA-N 284.384 3.798 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1ccc(Cl)nc1 899364568 AELRRAFBSZRUAB-GQCTYLIASA-N 287.750 3.553 30 20 CHED Cc1cc(/C=C\C(=O)c2cnn(C(C)C)c2C)cnc1F 899367766 AGNWUKWHLZQAFM-WAYWQWQTSA-N 287.338 3.511 30 20 CHED CCCC(CCC)C(=O)N(O)Cc1ccc(F)cc1 901376669 YBLMRCBXJCTLRJ-UHFFFAOYSA-N 267.344 3.760 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cncn1C(C)C)C2=O 901465735 YHIZPHMEKLXDOJ-RIYZIHGNSA-N 266.344 3.595 30 20 CHED C=CCc1ccc(OCc2cnc(CC)o2)c(OC)c1 902690149 HYNRHJFMLPIQRJ-UHFFFAOYSA-N 273.332 3.553 30 20 CHED CCCn1nc(C)c(-c2ccc(F)c(C#N)c2)c1C 906172195 NSJSTUQIACNDLV-UHFFFAOYSA-N 257.312 3.588 30 20 CHED CCc1ccccc1NN=Cc1cccc(OC)c1OC 915051759 QGNWUBMZSJJQNR-UHFFFAOYSA-N 284.359 3.712 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccco1 915917904 TUWFFLRVCQJLKT-UHFFFAOYSA-N 269.226 3.530 30 20 CHED Clc1cnc(NN=Cc2ccsc2)c(Cl)c1 916316391 AOJJARAJHJWJMD-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CCCCCCCOC(=O)Cc1ccccc1[N+](=O)[O-] 918493202 JWMVWSQTJFGNSW-UHFFFAOYSA-N 279.336 3.651 30 20 CHED Cc1cc(N[C@H](C)CC(C)(C)C#N)ccc1N(C)C 926052805 OWUPVNZTQFDICP-CYBMUJFWSA-N 259.397 3.801 30 20 CHED Cc1cc2cc(CN[C@@H](C)CC(C)(C)C#N)ccc2[nH]1 926418590 SXKJKEYWEZLVGA-ZDUSSCGKSA-N 269.392 3.894 30 20 CHED CC[C@@H](N[C@H](c1cnn(C)c1)C(C)C)c1cccc(C#N)c1 927066412 MZPSZSDZRBFMCO-MSOLQXFVSA-N 296.418 3.730 30 20 CHED CC(C)[C@H](NCCCCC1(C#N)CCC1)C1(CO)CCC1 930585235 FZGWEWXRDMVKHN-INIZCTEOSA-N 292.467 3.627 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1c1ccc(COC)o1 935432133 VDPOSRVRZDYJRN-ZFWWWQNUSA-N 291.391 3.692 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnn([C@@H](C)CC)c1C 935623142 QJGHKYDBFYQTOO-AAEUAGOBSA-N 263.385 3.703 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)[C@H](C)c1ccccc1 1122968571 RRQUZPNGYIUCSG-JKSUJKDBSA-N 293.366 3.559 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNCc1cccc(C#N)n1 1182370838 WQSOIZOVYBPUPE-CABCVRRESA-N 271.408 3.649 30 20 CHED Cc1cc(N(C)Cc2cccc(C)c2C)ncc1C#N 1186557645 ZPVLWOCPEGVDDX-UHFFFAOYSA-N 265.360 3.515 30 20 CHED CC(C)(C)[C@@H]1CSCCN1Cc1ccc(F)cc1C#N 1197297067 NKWRTYMNFKCZSL-HNNXBMFYSA-N 292.423 3.661 30 20 CHED CC1CCC(C)(NC(=O)Nc2cc(F)cc(C#N)c2)CC1 1219799445 SERHFLIJWUQNRI-UHFFFAOYSA-N 289.354 3.788 30 20 CHED CC(C)(C)c1nnc(-c2cc3ccccc3n2CC#N)o1 1257911511 POWVQJQGSYXBDE-UHFFFAOYSA-N 280.331 3.512 30 20 CHED Cc1ccc([C@H](C)N(C)c2cc(C)c(C#N)cn2)cc1 1306935005 UUAMILUWJBEVML-AWEZNQCLSA-N 265.360 3.768 30 20 CHED N#Cc1ccc(CCNc2nc3ccc(F)cc3s2)cc1 1307164723 VXRLBEXBLJCQJJ-UHFFFAOYSA-N 297.358 3.962 30 20 CHED CC[C@@H]1C[C@H]1CSc1nc2c(cc1C#N)CCCC2 1307286503 JZOPMEYLUIGMLV-RISCZKNCSA-N 272.417 3.970 30 20 CHED CC[C@H](Sc1cccc(F)c1C#N)C(=O)OC(C)(C)C 1307351160 NNAAZQOXWREWMG-LBPRGKRZSA-N 295.379 3.910 30 20 CHED CC(C)Cc1nnc(-c2ccc(C(C)(C)C#N)cc2)o1 1325822583 LXJRGQJYFJNLQW-UHFFFAOYSA-N 269.348 3.736 30 20 CHED c1ccc(C2CC2)c(CON=C2CCCOCC2)c1 1329939334 HYGOVHKWTZUMCE-UHFFFAOYSA-N 259.349 3.637 30 20 CHED C=C1CCC(C(=O)Nc2nccc(-c3ccccc3)n2)CC1 1331271861 RWGZSPIDHPUSBK-UHFFFAOYSA-N 293.370 3.829 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(Nc2ccccc2)CC1 1331985457 JDXIBVMFCKUMCE-UHFFFAOYSA-N 286.419 3.692 30 20 CHED C[C@H]1CCCC[C@H]1Cc1nnc(-c2ccc(C#N)cc2)o1 1333058936 KQVBPOOTNUHOJH-WFASDCNBSA-N 281.359 3.977 30 20 CHED CS[C@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)C1 1333705125 CJXVZPOBFCBECU-HIFRSBDPSA-N 276.405 3.675 30 20 CHED CCC(C)(C)c1noc(-c2cccc(C#N)c2C)n1 1335531240 ZKIGVQRDGLXZOD-UHFFFAOYSA-N 255.321 3.604 30 20 CHED CCCCCC[C@H](C)CC(=O)[C@H](C#N)c1nccn1C 1342163134 CAURYIZECLDVAL-KBPBESRZSA-N 275.396 3.593 30 20 CHED C=C1CCC(C(=O)N2CC[C@H]3CCCC[C@H]3C2)CC1 1350573216 JAGXXKQCGRTWBW-ZBFHGGJFSA-N 261.409 3.772 30 20 CHED Cc1cc(N2CCC(C)(C(C)C)CC2)ncc1C#N 1458330443 FTFQMSUYFVEGLD-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C=C[C@H](C(=O)NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1 1528592485 IFJQNSJOSXZKGJ-IRXDYDNUSA-N 299.414 3.564 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CSc1ccccc1Cl 1536522591 YIAJFYSHNOCENK-NSHDSACASA-N 296.823 3.583 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(C#N)c(C)n2)C12CCCCC2 1559105054 GQJLWHXMZWMKQK-CVEARBPZSA-N 299.418 3.802 30 20 CHED C=CCCCCNC(=O)N[C@H]1c2ccccc2NC1(C)C 1574907602 SRQRZKLKSUNRCO-HNNXBMFYSA-N 287.407 3.587 30 20 CHED Cc1c(C(=O)Nc2cccc(C#N)n2)oc2c(C)cccc12 1585912871 NGGDHSHVIIMMKU-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C=C(C)c1cccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)c1 1588605525 KVCLJCIUHSOMNW-DARAHFNDSA-N 271.360 3.631 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C1C(C)(C)C1(C)C 1596040645 OOLUMTGNZGAFNX-UHFFFAOYSA-N 285.391 3.611 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC(C)(C)CC(C)(C)C1 1611089873 NYAJQGSTKBLOIZ-UHFFFAOYSA-N 284.403 3.765 30 20 CHED N#Cc1cc(F)ccc1COc1ccc(F)c2cccnc12 1641249482 LPMOMPDVQPWWID-UHFFFAOYSA-N 296.276 3.964 30 20 CHED COc1ccc(C#N)cc1NCc1nccc2ccccc12 1651186519 QUYHVEUKMSISNM-UHFFFAOYSA-N 289.338 3.727 30 20 CHED Cc1ccnc(N[C@H]2CCC[C@H]2C(C)(C)C)c1C#N 1651933517 YIVDVQCBZOADLH-KGLIPLIRSA-N 257.381 3.888 30 20 CHED N#Cc1cc(Cl)ccc1SCCc1ccncc1 1652691744 QBNIHGOTFODRGV-UHFFFAOYSA-N 274.776 3.941 30 20 CHED C=C(Br)CN[C@](C)(CC)c1ccc(F)cc1 1654475448 SKSKNJQRPNATSW-CYBMUJFWSA-N 286.188 3.949 30 20 CHED CC(C)(C)C1CCC(CN=c2cc[nH]c(C#N)c2)CC1 1655244580 FSVZPRRITAPXPZ-UHFFFAOYSA-N 271.408 3.640 30 20 CHED CC(C)C(C)(C)CNC(=O)Nc1cc(C#N)ccc1F 1670761031 MHAKVWLFTXKLMU-UHFFFAOYSA-N 277.343 3.501 30 20 CHED C[C@@H](NC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1 1671449199 BIYDXEZIJZQMOZ-NWDGAFQWSA-N 299.399 3.933 30 20 CHED CCC[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1CCC1 1672080916 WKORWYZWOWHRJA-OAHLLOKOSA-N 289.354 3.788 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)NCc1cccc(C#N)c1 1675350777 HCRMPMHIJVMKPH-QGZVFWFLSA-N 299.418 3.668 30 20 CHED Cc1c(NN=C2CCc3cc(F)ccc32)cccc1C(=O)O 1776087014 DIOODYBCYKPFPI-UHFFFAOYSA-N 298.317 3.595 30 20 CHED O=C(O)/C=C/c1ccc(/C=C/C(=O)c2ccccc2F)cc1 1776131448 RKNFRZJTTZQANO-WGDLNXRISA-N 296.297 3.820 30 20 CHED C=C(C)CCCC(=O)Nc1cc(C(=O)O)ccc1Cl 1776138360 SLGYZEZFTBEGGS-UHFFFAOYSA-N 281.739 3.723 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ccc(C(=O)O)c(C)n1 1776139646 MVWSNRTVFZDQIH-UHFFFAOYSA-N 296.370 3.671 30 20 CHED C=CC[C@@H](CNc1ncccc1C(=O)O)c1ccccc1 1776151922 OXSGZVANWNGMCS-AWEZNQCLSA-N 282.343 3.552 30 20 CHED c1ccc(NN=C2c3ccccc3-c3ccccc32)nc1 6346797 ANPOVMWBCZRWEU-UHFFFAOYSA-N 271.323 3.927 30 20 CHED O=C(/C=C/c1ccccc1OC(F)F)c1cccnc1 7777500 DDWRVPWAFVWCHZ-BQYQJAHWSA-N 275.254 3.579 30 20 CHED Cc1ccc(CNC(=O)Nc2cc(C#N)ccc2C)c(C)c1 58452119 CHQXOZKLBKMBOB-UHFFFAOYSA-N 293.370 3.805 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCSc2ccccc21 53962690 CECVDDLOLRMUSM-CQSZACIVSA-N 290.432 3.831 30 20 CHED Cc1ccccc1CCN[C@@H](C)c1ccc(OCC#N)cc1 178221547 RKNQNDNGRYWUTN-INIZCTEOSA-N 294.398 3.791 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1 179411087 LJRJEUOAIRQLHZ-FNORWQNLSA-N 268.703 3.503 30 20 CHED C=CCn1c(SC(C)C)nnc1-c1ccc(F)cc1 59795707 DGWAXMLTQLVGDD-UHFFFAOYSA-N 277.368 3.771 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CC2CCCCC2)C1 116808158 SYUSMEDHAZJCQH-BBRMVZONSA-N 262.397 3.545 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1sccc1OC 105943372 KIOTZUOSCDBPIS-UHFFFAOYSA-N 293.413 3.647 30 20 CHED C=C(C)CN1CCC(NCc2ccc(Cl)c(F)c2)CC1 106245366 GBQGBBNGENHIHY-UHFFFAOYSA-N 296.817 3.609 30 20 CHED CCN(Cc1cc(OC)ccn1)[C@H](C)c1ccc(C#N)cc1 106933742 HPRGDKIKBOKSGP-CQSZACIVSA-N 295.386 3.545 30 20 CHED C[C@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N 68841964 GDWUQTJUXOAHPB-CYBMUJFWSA-N 295.342 3.900 30 20 CHED C[C@@H](C#N)Oc1ccc(-c2nc3ccccc3n2C)cc1 178967285 OJBKAGLIPUNDPC-LBPRGKRZSA-N 277.327 3.531 30 20 CHED C=CCn1c(S[C@@H](C)CCC)nnc1C1CC1 178408983 WMTVAEWBRVXQEK-JTQLQIEISA-N 251.399 3.622 30 20 CHED N#Cc1ccc(N2CCC(Nc3ccccc3)CC2)c(F)c1 301356183 MKMACQCWFAHMBP-UHFFFAOYSA-N 295.361 3.778 30 20 CHED C=CCN(CC=C)C(=O)CNc1cc(Cl)cc(Cl)c1 66210073 JKAUASURNCOYAC-UHFFFAOYSA-N 299.201 3.606 30 20 CHED CC(C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 302187977 JJTRAWDEYKNCFO-CYBMUJFWSA-N 287.363 3.729 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(Cl)cc1C 301998976 QVPUDUNAUMCNJL-CYBMUJFWSA-N 295.810 3.840 30 20 CHED C[C@@H]1CCCC[C@H]1OCCNc1ccc(C#N)cc1 301085553 JAAYHAGTJGVSRB-CZUORRHYSA-N 258.365 3.565 30 20 CHED CC(=O)N1CCCN(CCCC(C)(C)C#N)c2ccccc21 177818823 YCXMTBFMDYZXSH-UHFFFAOYSA-N 299.418 3.580 30 20 CHED C=CCC[C@@H](NC[C@@H](c1cccs1)N(C)C)C1CC1 119844751 VYVDRDUSFYIRGL-CABCVRRESA-N 278.465 3.685 30 20 CHED Cn1cc(/C=C/C(=O)c2cccc(Cl)c2Cl)cn1 116609395 LORIIVKNNXAISE-AATRIKPKSA-N 281.142 3.623 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)s1 23715225 DZUSXFPYGIHHJE-HNNXBMFYSA-N 284.384 3.809 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCC[C@H](C(F)(F)F)C1 302439281 MSZYIRNWZKLXQM-QWHCGFSZSA-N 293.292 3.963 30 20 CHED CSc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)o1 175766025 YQAFKTJDSAOXNV-JTQLQIEISA-N 287.340 3.791 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)Cc1c(Cl)cccc1Cl 120671067 IHLPBGDWZYAODS-AWEZNQCLSA-N 299.201 3.590 30 20 CHED N#Cc1cccc(OCCCSC[C@H]2CCCCO2)c1 125134683 MPCMIYVZPIYPTB-MRXNPFEDSA-N 291.416 3.629 30 20 CHED N#Cc1ccc(NCc2c(O)cccc2Cl)cc1 127237987 SISHWIMVAKHZKK-UHFFFAOYSA-N 258.708 3.529 30 20 CHED CCc1ccccc1C/N=C(/N)Nc1ccc(C)c(C)c1 304759394 RCVXKZQFNSLCBF-UHFFFAOYSA-N 281.403 3.793 30 20 CHED CN(Cc1cc2ccccc2o1)c1c(C#N)cccc1C#N 302875777 FQNIOHBJROWPNJ-UHFFFAOYSA-N 287.322 3.813 30 20 CHED CCCC(O)(CCC)CNc1ccc(C#N)c(Cl)c1 303903956 SZUGXFSYQGIFNI-UHFFFAOYSA-N 280.799 3.955 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 408079293 GQBOLICCBQRFNG-HNNXBMFYSA-N 288.391 3.866 30 20 CHED CCO[C@H]1C[C@H](Nc2c(F)cc(C#N)cc2F)C12CCC2 301344232 JTXNDWQNOHVBSF-KBPBESRZSA-N 292.329 3.596 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccc(O)c(F)c1 120931588 KPYXSRVOHOZGTN-GQCTYLIASA-N 286.302 3.744 30 20 CHED CC#CCCCC(=O)N[C@@H](CC)c1cc(F)ccc1F 185648406 IKXBRZSIYQETMX-HNNXBMFYSA-N 279.330 3.726 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C)ccc1F 121449348 OLRLJQBODNWQPF-UHFFFAOYSA-N 276.355 3.727 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(OC)cc1)c1ccccc1 121593138 BRKHYWYXKWRAFG-AWEZNQCLSA-N 281.355 3.994 30 20 CHED C[C@@H](C#N)CNCc1ccc(-c2cccc(F)c2)s1 183820129 ZTQIKIGNNVNQMI-NSHDSACASA-N 274.364 3.803 30 20 CHED C#CCCCCC(=O)[C@H](C#N)c1nc(C(C)C)cs1 180776160 GXKSTLGFVBBFIR-LBPRGKRZSA-N 274.389 3.636 30 20 CHED CC[C@H](C)[C@H](C)NCc1ccc(Br)cc1C#N 310310479 TUTFVRLILQJQHF-QWRGUYRKSA-N 295.224 3.845 30 20 CHED C[C@H](NC(=O)c1cccc2cc[nH]c12)c1cccc(C#N)c1 75273956 ANEQVZOGFBZFOC-LBPRGKRZSA-N 289.338 3.531 30 20 CHED CCOCCC1(CNc2cc(Cl)ccc2C#N)CC1 127783349 CWQUCAWJDIAJHV-UHFFFAOYSA-N 278.783 3.830 30 20 CHED Cc1coc2ccc(NC(=O)NCCCCC#N)cc12 188020695 VKHCLTMUHGKPQB-UHFFFAOYSA-N 271.320 3.557 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc2ccccc12 189578805 GRCBBHZVLBIIAZ-CQSZACIVSA-N 289.382 3.901 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 180954183 RBPLIAKMCRZAAX-STQMWFEESA-N 287.407 3.586 30 20 CHED C=CCC[C@@H](C)NCc1ccc(Br)s1 126791458 AQOPNIXCPVWIFN-SECBINFHSA-N 274.227 3.955 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 185934909 SBGMHLAPRGUZLV-LBPRGKRZSA-N 291.778 3.648 30 20 CHED Cc1c([C@@H](C)Nc2ccc(C#N)nn2)oc2ccccc12 189589142 LDRSQTIQKKGDGP-LLVKDONJSA-N 278.315 3.576 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(F)cc2C)c1 184777760 CKEFGCWWOXEJLX-GQCTYLIASA-N 255.292 3.734 30 20 CHED C=CCSCCNC(=O)[C@@H](CC(C)C)c1ccccc1 508899346 OPMLZNBLWZXZPW-INIZCTEOSA-N 291.460 3.852 30 20 CHED CC[C@@H](C#N)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 189683741 JWXLNOKYFNHXMN-AWEZNQCLSA-N 292.810 3.717 30 20 CHED CC#CCCCC(=O)Oc1ccc(Oc2ccccn2)cc1 185139810 ASVUUOJBLPWQRY-UHFFFAOYSA-N 295.338 3.973 30 20 CHED N#CC1(COC(=O)Cc2cccc3ccccc23)CCC1 183859468 VRSKQADMEPBFQI-UHFFFAOYSA-N 279.339 3.619 30 20 CHED CC[C@H]1[C@H](C)CCN1C(=O)Nc1cc(C#N)ccc1C 186704645 CUEDXOKYLJAJQD-DOMZBBRYSA-N 271.364 3.519 30 20 CHED CCO[C@@H]1C[C@@H](NCCCC(C)(C)C#N)C1(CC)CC 187041793 VNVQUOLZXVOTGS-HUUCEWRRSA-N 280.456 3.890 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cnn(CCC)c2)c1 180917165 KEZKHRGGNPODKO-UHFFFAOYSA-N 299.374 3.500 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(C)c2ccc(C#N)cc2)C1 503421294 VYUGJWDKTBFNAF-NHAGDIPZSA-N 270.376 3.593 30 20 CHED CC[C@H](CC#N)NC(=O)c1cccc(-c2csc(C)n2)c1 183968618 ZKIVPVSXGMLTTG-CQSZACIVSA-N 299.399 3.541 30 20 CHED N#CCOc1ccc(CN[C@@H]2CCC[C@H](C3CC3)C2)cc1 180553763 ZDBBKXUIRBOZIV-DLBZAZTESA-N 284.403 3.647 30 20 CHED CN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C(C)(C)C 416284965 GNWIBXBYHIELKI-IAGOWNOFSA-N 298.430 3.774 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccccc1)C1CCC1 185475491 BDUWMDOJPDZFMU-SFHVURJKSA-N 269.388 3.838 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCC1CCC1 416091452 AEEJWOGMXMGRAD-QGZVFWFLSA-N 282.387 3.632 30 20 CHED Cc1ccc(O)c(CN[C@H](CCC#N)c2ccccc2)c1 130591375 KEHMWSLFDSUBGJ-QGZVFWFLSA-N 280.371 3.835 30 20 CHED CC#CCCCC(=O)N1CCC(Oc2ccc(C)cc2)CC1 185594769 BGHWGBOFTYQSQT-UHFFFAOYSA-N 299.414 3.558 30 20 CHED N#Cc1ccc(SCc2ccncc2Cl)cc1 505531767 FXONHYPZKYAXOO-UHFFFAOYSA-N 260.749 3.899 30 20 CHED N#Cc1cnccc1/C=C/C=C/c1ccc(F)c(F)c1 504728580 DVLXBWYZHPFFLF-ZPUQHVIOSA-N 268.266 3.958 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 185724205 MKZVQRFOBGDNAI-MLGOLLRUSA-N 283.375 3.529 30 20 CHED CCOC(=O)c1ccc(NCCCC(C)(C)C#N)cc1 133650802 LARIMLXEHXZLEK-UHFFFAOYSA-N 274.364 3.605 30 20 CHED Cc1nsc(NC[C@@H]2CCCC(F)(F)C2)c1C#N 286304764 DWNCOTVLUKJQGW-SECBINFHSA-N 271.336 3.561 30 20 CHED N#Cc1cc(Br)ccc1N[C@H]1CC[C@@H](F)C1 379468636 ZPOQCNPHNPTXDZ-MNOVXSKESA-N 283.144 3.623 30 20 CHED CCS[C@H](C)c1noc(CSCC2(C#N)CCC2)n1 419428642 AXRDMQLFEJVXHT-SNVBAGLBSA-N 297.449 3.811 30 20 CHED C=CCN(C)CCCC(=O)c1ccc(Br)cc1 450753472 BWHHQWBDIBPXQG-UHFFFAOYSA-N 296.208 3.530 30 20 CHED CC(C)c1ccc(C(=O)N(CCC#N)CC(F)(F)F)cc1 80798931 CYNQESVUFQSPMP-UHFFFAOYSA-N 298.308 3.728 30 20 CHED C=CCC[C@@H](NC(=O)c1ccoc1)c1ccccc1 134001843 QMXGDKUIBNZNBK-OAHLLOKOSA-N 255.317 3.717 30 20 CHED N#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCCC1 227850098 TWMIIFROCIBDMN-BZUAXINKSA-N 288.435 3.888 30 20 CHED CC[C@H](NCCCC#N)c1ccccc1Br 132397057 NIZALKRWKPSQRH-ZDUSSCGKSA-N 281.197 3.794 30 20 CHED O=C1CC[C@H](/C(O)=N/C2CCC3(CC2)CC3)n2cccc21 329883567 REPUQXMDTWFPHS-CQSZACIVSA-N 286.375 3.685 30 20 CHED C[C@@H]1CN(CCCCC(C)(C)C#N)CCN(C2CCC2)C1 429396543 BVVFRNYEURQWRM-MRXNPFEDSA-N 291.483 3.513 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc(F)cc1 48625093 HPMPYGMVDALHGA-LREOWRDNSA-N 268.287 3.657 30 20 CHED CC(C)(C)OCc1ccc(NC(=O)C2(C#N)CCC2)cc1 84207601 UNGMSBAZRVQOCQ-UHFFFAOYSA-N 286.375 3.634 30 20 CHED C=CC[C@H](C)NC(=O)Nc1sc(C)nc1CC(C)C 135475167 DPVJLAMQYHCDSX-JTQLQIEISA-N 281.425 3.736 30 20 CHED Cc1cccc(-c2cncc(C(=O)O[C@@H](C#N)C3CC3)c2)c1 132444153 WEVPNKWEJCCAHJ-KRWDZBQOSA-N 292.338 3.516 30 20 CHED C=CCC1(C(=O)NCc2ccnc(SCC)c2)CCC1 190538038 VAQLCACAWFOHHP-UHFFFAOYSA-N 290.432 3.556 30 20 CHED CC[C@H](C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 190513405 XLVDPFFUKCHZDZ-AWEZNQCLSA-N 272.392 3.731 30 20 CHED C=CCN(C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 428373933 MEHCGTPVTRRRIR-UHFFFAOYSA-N 289.810 3.760 30 20 CHED C=CCC[C@H](C)NCc1nc2cc(Cl)ccc2n1C 427882006 LEZUMDIOUHTFSL-NSHDSACASA-N 277.799 3.671 30 20 CHED C[C@H]1CC[C@@H](CC(O)=Nc2cnccc2-n2cccn2)C1 328641686 DHRRWLWJBPGPNR-QWHCGFSZSA-N 284.363 3.682 30 20 CHED OC(=Nc1scnc1C1CC1)C1(C2CC2)CCOCC1 329733160 JJPDOXOJULIRQD-UHFFFAOYSA-N 292.404 3.815 30 20 CHED C[C@H](C#N)C(=O)N(C)c1ccc(Oc2ccccc2)cc1 510422025 ZYSWFXHTWSRJJM-CYBMUJFWSA-N 280.327 3.601 30 20 CHED CC1(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 428792379 HBCUOXHKNDRONW-OAHLLOKOSA-N 284.403 3.855 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(C)nc1)c1ccccc1 133686851 WQKMERGBLOGENF-KRWDZBQOSA-N 280.371 3.827 30 20 CHED C=CCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 512541921 JHDXLUAYSGJYRZ-UHFFFAOYSA-N 292.382 3.721 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC(C)(C)CC(C)C 426051258 OKRJRRYVBKLVPM-AWEZNQCLSA-N 266.429 3.809 30 20 CHED C=CC[C@H](C)NC(=O)c1coc2ccc(CC)cc12 512745025 UVWOFIMCFNIIPG-NSHDSACASA-N 257.333 3.690 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)o1 83982192 ITMISPHFNASWJS-CSKARUKUSA-N 292.338 3.924 30 20 CHED CCC1CCC(N/C(O)=N/CC[C@@H]2CCO[C@H](C)C2)CC1 330818763 DYVCDPQTUWXHBF-YHNBSYBMSA-N 296.455 3.664 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@@]2(C)CC=CCC2)cc1 331356026 RKBXHCYVHOPYFF-SFHVURJKSA-N 282.387 3.716 30 20 CHED C=CCN(C)C[C@@H](C)c1cccc(Br)c1 428396546 CYICDZGXDUWVFF-LLVKDONJSA-N 268.198 3.670 30 20 CHED Cc1coc(C)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 334241193 MYXDGVSUBPJZET-ZDUSSCGKSA-N 288.734 3.545 30 20 CHED CC(C)(c1ccccc1)c1noc(-c2ccc(C#N)s2)n1 232528600 LRLTVGTUEFEDOU-UHFFFAOYSA-N 295.367 3.996 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC2(CCC2)C1 338800342 OTRFUBOEPBFYOF-CQSZACIVSA-N 288.439 3.748 30 20 CHED COCc1ccc(CN(CCC#N)CCC(C)C)cc1 93100839 RCEULKPNZBVYTN-UHFFFAOYSA-N 274.408 3.595 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1ccc(C(C)C)nc1 330479361 MEAVMNCGDDJYRB-INIZCTEOSA-N 273.380 3.838 30 20 CHED C[C@H](CCc1cccc(C(F)(F)F)c1)NCCC#N 426004898 QMMDKGXDTPNWCF-LLVKDONJSA-N 270.298 3.530 30 20 CHED N#CCC1CCN(C(=O)c2cc(F)c3ccccc3c2)CC1 334944793 KSXKDTHTNVMLAO-UHFFFAOYSA-N 296.345 3.745 30 20 CHED C=CC1CCN(Cc2ccc(OC)c(OC(F)F)c2)CC1 93359250 GHOSJXRATUUJBD-UHFFFAOYSA-N 297.345 3.695 30 20 CHED C=CCCCCCN[C@H](C)c1ccc2n[nH]cc2c1 513219849 VUCOKMFKCNPPKJ-CYBMUJFWSA-N 257.381 3.960 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1O 96766168 VCXKSLUELZEWRM-UITAMQMPSA-N 268.312 3.605 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)c1ccsc1 425125535 GPVFEAPVSOWTRB-OLZOCXBDSA-N 298.411 3.943 30 20 CHED CCN(CCC(F)(F)F)CC(C)(C)CCC#N 92753919 HHWWEZQNNXHHJP-UHFFFAOYSA-N 250.308 3.591 30 20 CHED C=CCC[C@H](C)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 382503690 LVQUUCUJAWBMIH-KKUMJFAQSA-N 296.455 3.624 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@@](C)(CCC)C1 337842423 GEQBOSIRNMKXAZ-QGZVFWFLSA-N 288.439 3.748 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc2ccccc12 435746358 WNRLTARJOWPDJB-IEBWSBKVSA-N 281.399 3.911 30 20 CHED CCC(CC)CN(CCC#N)Cc1ncccc1C 93178369 JJIQGRFXUZQHAU-UHFFFAOYSA-N 259.397 3.542 30 20 CHED C=CCNC(=O)NC(c1cccc(C)c1)c1cccc(C)c1 437129884 WSZPMSPNVPWSQF-UHFFFAOYSA-N 294.398 3.878 30 20 CHED N#Cc1csc(C(=O)NCCCCCc2ccccc2)c1 437568618 OMFJCFVUWIJONF-UHFFFAOYSA-N 298.411 3.763 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(C)c2ccc(C#N)cc2)C1 439933797 OXNZMAYXFCACIK-DZGCQCFKSA-N 270.376 3.737 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@H](Cc3ccccc3)C2)c1 342957947 FRQNMSNDKSCYCP-WBVHZDCISA-N 277.371 3.777 30 20 CHED C=CCOCCCN[C@H](C)c1ncc(-c2ccccc2)o1 348035190 PFTWIWDNFKAVCP-CQSZACIVSA-N 286.375 3.585 30 20 CHED Cc1c(NCCC(C)(C)C#N)cnn1-c1ccccc1 345343380 MXGSQEIWUBTWCE-UHFFFAOYSA-N 268.364 3.533 30 20 CHED C[C@H](CCC#N)CN1CCC2(C=Cc3ccccc3O2)CC1 602725442 WWBLZQITZAAREC-MRXNPFEDSA-N 296.414 3.867 30 20 CHED C=CCCCS[C@@H](C)C(=O)NC1CCCCC1 609805250 ZQRPRUYGHFCBJC-LBPRGKRZSA-N 255.427 3.523 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccoc1CC 430411570 ZWRKRTYHWNNNBC-UHFFFAOYSA-N 287.334 3.810 30 20 CHED N#Cc1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)cc1 255641297 YPAXVZTYCOTSIF-QXMHVHEDSA-N 299.333 3.758 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CCCC1(C)C 602678006 ZIVGGCGQHVNRHO-CABCVRRESA-N 278.440 3.501 30 20 CHED CN(C(=O)CC#N)[C@H](c1ccc(Cl)cc1)C1CCCC1 343751640 JHUZGKTXGOMHTQ-INIZCTEOSA-N 290.794 3.943 30 20 CHED Fc1ccc(CON=Cc2cccs2)c(F)c1 254927723 INTSRZSQQSHPEV-UHFFFAOYSA-N 253.273 3.577 30 20 CHED Cc1csc(NC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C#N 344933887 YHGKBABCNJTDHN-IAZYJMLFSA-N 276.405 3.939 30 20 CHED C=C(C)CCNCc1ccccc1OCc1ccncc1 449478958 TWTRWWZMMRITLG-UHFFFAOYSA-N 282.387 3.716 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1(CC(C)C)CC1 440694212 PPQSNMSEBYCJIW-UHFFFAOYSA-N 286.375 3.722 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2N[C@H]2CCC[C@@H](C#N)C2)cc1 447525862 ADFVKOLAVPZPAW-BVBHFADKSA-N 298.430 3.887 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C[C@H](C)CCC#N 602440236 OSCVLLICKVUZPQ-OAHLLOKOSA-N 269.392 3.709 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@@H](c1ccccc1)C(C)C 609129398 FUYAJJZBYAWNEV-JKSUJKDBSA-N 272.392 3.625 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H](c2cccs2)C2CC2)C1 447541171 LLEWDKSZJUBMDD-KYOSRNDESA-N 260.406 3.871 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@@H](C)c1ccc(C)cc1)OCC 533721822 KIOSKNZKIPRHDL-RDJZCZTQSA-N 289.419 3.886 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc([C@H](C)OCC)s1 352544454 ATVIRSBGUALCLR-NSHDSACASA-N 296.436 3.573 30 20 CHED CC[C@@H](NC[C@@H](OC)c1ccccc1)c1ccc(C#N)cc1 447559834 BDRIVUXKSGXMBM-RTBURBONSA-N 294.398 3.987 30 20 CHED Cc1cnc2c(NC(=O)CCCC#N)cccc2c1Cl 602362638 YWCAVTFTRPMCDP-UHFFFAOYSA-N 287.750 3.829 30 20 CHED CN(CC(C)(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 355548462 BRZUVIZSSIBWQS-OAHLLOKOSA-N 272.392 3.578 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(CCCc2ccccc2)c1 530576111 WSZLFWLKKWCUAQ-HNNXBMFYSA-N 292.382 3.960 30 20 CHED C=C(C)CCNC1CCC(c2ccc(O)cc2)CC1 449470931 BQRJEZVNGQHQBD-UHFFFAOYSA-N 259.393 3.974 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(NC(=O)c3ccoc3)c2)C1 442867509 YLUCEHCHLWLCJH-LRDDRELGSA-N 295.342 3.636 30 20 CHED N#Cc1cn(CCCCC(F)(F)F)c2ccccc2c1=O 269763983 ZRNIWDMDMMIQCU-UHFFFAOYSA-N 294.276 3.606 30 20 CHED CCC(CC)Oc1ccc(C(=O)N(CC)CCC#N)cc1 449795307 AYVDLHHOWKWGLH-UHFFFAOYSA-N 288.391 3.630 30 20 CHED C=CCC[C@@H](NCCc1ccncc1)c1ccccc1 351573180 ICBHIPGCTWDTMA-GOSISDBHSA-N 266.388 3.921 30 20 CHED C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)C1CC1 611391946 BOVBRQHRKXYQHT-PXAZEXFGSA-N 254.377 3.571 30 20 CHED COc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)cc1)CC2 268811568 OBEYGNFIGLLSHI-BFUOFWGJSA-N 292.382 3.905 30 20 CHED CC(C)Cc1ccc([C@H](C)NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1 448572832 KRSHUYBLKMZECO-SUNYJGFJSA-N 284.403 3.612 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1cnc2ccccc2n1 618693625 LBHWMMTVNCIPQS-OAHLLOKOSA-N 286.338 3.601 30 20 CHED C=C(CC)CSCC(=O)Nc1cc(F)ccc1F 358631533 BYFLLRQGFOWGNS-UHFFFAOYSA-N 271.332 3.603 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC=CCC1 442904582 REOGWGUDDZTMDT-CABCVRRESA-N 254.377 3.907 30 20 CHED C=CCCS[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 534997450 VVZGTSXTFDLKNB-CYBMUJFWSA-N 299.798 3.894 30 20 CHED C[C@H](Nc1ccnc2c(O)cccc12)c1ccc(C#N)cc1 619475997 QANJHYUBTUHROB-LBPRGKRZSA-N 289.338 3.985 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(F)cc(Cl)c2)C1 614453281 KLVMBMRQMAEBQM-CQSZACIVSA-N 266.747 3.605 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCCOC1CCCCC1 539388709 XDCOQALSBDDGFB-OAHLLOKOSA-N 296.455 3.770 30 20 CHED CSCCCCCN[C@@H]1CCc2ccc(C#N)cc21 353594017 FESIPNKYKBKDPC-MRXNPFEDSA-N 274.433 3.668 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)NCC(C)(C)CCC#N 358676839 APUNXXDISPTQJL-AWEZNQCLSA-N 279.428 3.536 30 20 CHED C=CCC[C@@H](NCc1ccc(OC)c(O)c1)c1ccco1 353505810 WIRYBRUFWGUMPF-CQSZACIVSA-N 287.359 3.791 30 20 CHED C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(C#N)c1 611408754 ABMNWBBWOKAUBC-NSHDSACASA-N 296.757 3.803 30 20 CHED COCCCCCN(CC(C)C)c1ccc(C#N)cc1 533038635 IVCIACZPRHMRIZ-UHFFFAOYSA-N 274.408 3.837 30 20 CHED C=CCC1(CNC(=O)N[C@H](C)c2ccccn2)CCCC1 454215131 BRGPPPIJCQHIII-CQSZACIVSA-N 287.407 3.578 30 20 CHED CC(C)(CCC#N)CN1CCC[C@@H]1c1ccccn1 536629488 SEPLRZGRJVWPHT-OAHLLOKOSA-N 257.381 3.548 30 20 CHED C=CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C 456170076 BBYRSFJTEIHJFI-UHFFFAOYSA-N 291.351 3.710 30 20 CHED Cc1ccc(C[C@@H]2CCCN(c3cnccc3C#N)C2)cc1 611281019 JPJXSNBAGPVTBI-KRWDZBQOSA-N 291.398 3.721 30 20 CHED C[C@H](CCCc1cccnc1)NCC#Cc1ccc(F)cc1 459636252 KCEXYWRGGJYLPX-MRXNPFEDSA-N 296.389 3.573 30 20 CHED CCc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1C 538773295 HKHRIYWOMVAVHV-UHFFFAOYSA-N 293.370 3.751 30 20 CHED C=CCCC1(C(=O)Nc2ccc3cnccc3c2)CC1 457192647 FMUKEVLKPKZPII-UHFFFAOYSA-N 266.344 3.920 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCC(C)(C)CC#N 459260367 POGOUVUVANPMQO-HOCLYGCPSA-N 299.418 3.514 30 20 CHED C=CCN(C(=O)Nc1cc(Cl)ccc1OC)C1CC1 271407232 VIJNRUJQQNFWIE-UHFFFAOYSA-N 280.755 3.531 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(CC#N)c2ccccc2)c1 610043056 YZMMCZYSWPQEDJ-OAHLLOKOSA-N 278.355 3.655 30 20 CHED C=CCC[C@H](CO)Nc1cc(C)nc2c(F)c(F)ccc12 450913484 MMUWQTDZSFWERQ-LLVKDONJSA-N 292.329 3.560 30 20 CHED N#Cc1cccnc1N1CCC(c2cccc(F)c2F)CC1 364914458 DIKVJGNABUUGFT-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=C(CC)CN[C@@](C)(CC)COc1ncccc1Cl 540214714 KAQHFKGJBRLKAN-HNNXBMFYSA-N 282.815 3.838 30 20 CHED C[C@H]1C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CC[C@H]1C 618802827 FZZQENTYLYOYGL-VNVHMNPZSA-N 268.404 3.960 30 20 CHED C=CCCC(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 458044442 AMCOFWPZKIDBOU-HOTGVXAUSA-N 257.377 3.747 30 20 CHED C=CCOc1ccc(Cc2nc(C(C)(C)C)no2)cc1 453021011 MIYBHNFTZLKVNS-UHFFFAOYSA-N 272.348 3.523 30 20 CHED CCc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1C 450361165 DKDMVAGAYAGTGX-GOSISDBHSA-N 282.387 3.970 30 20 CHED CCN(C(=O)c1ccc(CC#N)cc1)C1CCCCC1 270255481 NJWXXQZUIFUZAA-UHFFFAOYSA-N 270.376 3.547 30 20 CHED C[C@H](N[C@H]1COc2ccc(Cl)cc21)c1cccc(C#N)c1 540607694 URHCXLCEGIINLB-ZBEGNZNMSA-N 298.773 3.996 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccs1 272197213 INEUEPGFLCUOHU-GFCCVEGCSA-N 268.385 3.960 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 542587775 WJRMNPRBBXGCJI-ARFHVFGLSA-N 281.440 3.690 30 20 CHED C[C@H]1CCC[C@H](C)N(Cc2ccc(CC#N)cc2)C1 543206552 RPJWPVBYQVMKTA-GJZGRUSLSA-N 256.393 3.763 30 20 CHED COc1cccc([C@@H]2C[C@@H](C)CN2CCCCC#N)c1 360465652 GSWFELVBLKXNBG-PBHICJAKSA-N 272.392 3.772 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 456829997 PWICTWWONNUXIN-YIYPIFLZSA-N 273.376 3.589 30 20 CHED C=CC(C)(C)CNC(=O)C/C=C/c1ccccc1F 452778105 WWSMCWXVYQDJDL-VQHVLOKHSA-N 261.340 3.557 30 20 CHED C=CCC1(C(=O)NCC(F)(F)C(F)F)CCCCC1 451143072 GSJUEBFKFWRSGI-UHFFFAOYSA-N 281.293 3.530 30 20 CHED Cc1cc(C(=O)N(C)C2CCC(C(C)C)CC2)ncc1C#N 457747083 DGZGGLRMXMIIQU-UHFFFAOYSA-N 299.418 3.549 30 20 CHED C[C@H](C#N)CN(C)Cc1ccccc1OC1CCCC1 271111481 BQAVRXBFHWGICC-CQSZACIVSA-N 272.392 3.599 30 20 CHED C=C(C)CCNC(=O)Nc1cccc2ccc(C)nc12 454751943 PEXDBIHELGBQPI-UHFFFAOYSA-N 269.348 3.631 30 20 CHED CC(C)(C#N)CCN1CCN(C2CC2)c2ccc(F)cc21 548491622 IGXLNCMBYAZTAT-UHFFFAOYSA-N 287.382 3.554 30 20 CHED C=CCCO[C@@H](C)c1nc([C@H]2CCCCS2)no1 273844441 BETILTBQEPEBFM-WDEREUQCSA-N 268.382 3.682 30 20 CHED C=CCCOCCN[C@@H]1C[C@H](C)c2c(C)cccc21 540151711 SWPKALNQIKSFHJ-GOEBONIOSA-N 259.393 3.726 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 460956889 JHCFZKAZKSFZLY-GJZGRUSLSA-N 290.455 3.678 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1ccccn1 548157915 ZWUACJJJYACUNK-KRWDZBQOSA-N 297.789 3.944 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N(C)Cc1cccc(C#N)c1 541585183 SAXMZRLKVKQDKS-AWEZNQCLSA-N 286.419 3.979 30 20 CHED C=CCCCc1nc(C[C@H](C)c2ccccc2)no1 547175864 ZJDOXKIDRSAOHV-ZDUSSCGKSA-N 256.349 3.925 30 20 CHED C=CCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 467385395 ZWVTXFMDLUQRKA-UHFFFAOYSA-N 286.331 3.863 30 20 CHED C=CCCCCCN(C)C(=O)NCC[C@H]1CCO[C@H](C)C1 541372980 DXZCRYUFXAOWGE-CVEARBPZSA-N 296.455 3.579 30 20 CHED N#CCCCSc1nc(C2CC2)nn1-c1ccccc1 288858010 PPVHRJXTYXLRSG-UHFFFAOYSA-N 284.388 3.541 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)NCCCCC#N)c1 285611080 MSIGOGADWYXSBH-HNNXBMFYSA-N 286.419 3.799 30 20 CHED CCCc1ccccc1NC(=O)c1ccc(F)c(C#N)c1 469506013 ASNLHHZUJUHPTQ-UHFFFAOYSA-N 282.318 3.902 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)Nc1cccc(C#N)c1 466385727 JCKXWFDKRBVNFA-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C=C(C)COCCNC(=O)Nc1cccc(C2CCC2)c1 463832185 TWMRIDJIZAGZHY-UHFFFAOYSA-N 288.391 3.668 30 20 CHED C=C[C@](C)(CC)c1nc([C@@H]2CCCCS2)no1 289804972 RJLNOHFCPMTOPR-GXFFZTMASA-N 252.383 3.882 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2ccc(C)c(OC)c2)CC1 466532956 UUTUWVGEILKSMM-HNNXBMFYSA-N 287.403 3.506 30 20 CHED C=CCC[C@H](C)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 382454981 ILEVWSBGLHWJEP-SOUVJXGZSA-N 296.455 3.767 30 20 CHED CCc1ccc(-c2noc(-c3ncc(C#N)cc3C)n2)cc1 550958639 YIWKKZOMHBEDNG-UHFFFAOYSA-N 290.326 3.541 30 20 CHED C=CCCCC(=O)N[C@H]1CCC[C@H]1c1ccccc1 479627254 QAPDMBWWHVPWBT-HOTGVXAUSA-N 257.377 3.795 30 20 CHED C=C(C)CN(CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 470176374 KAEJVJVJGINGGF-ZROIWOOFSA-N 274.364 3.896 30 20 CHED COc1ccccc1N(C(=O)c1cc(C#N)oc1C)C(C)C 291713319 PIQXPCCFIMDJQH-UHFFFAOYSA-N 298.342 3.524 30 20 CHED C=C(C)[C@H](NC(=O)NCC(C)(C)C)c1ccc(F)c(F)c1 476858016 LLDFWKNUEBCFCY-AWEZNQCLSA-N 296.361 3.927 30 20 CHED Cc1cc(COC(=O)[C@@H]2CCCC(F)(F)C2)ccc1C#N 800278692 ALTWSQJHUFHWBV-CYBMUJFWSA-N 293.313 3.735 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 292944909 YAUWGGXLOIRMHP-HOCLYGCPSA-N 271.404 3.993 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1C)C(C)(C)C 808315448 FNISSPRBUQRGKM-IAGOWNOFSA-N 298.430 3.889 30 20 CHED Cc1ccc(OC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 293178174 SIQFAXSEHSMNFG-JKSUJKDBSA-N 284.403 3.531 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1c(F)cccc1Cl 807983801 YCOQZEJRNWIULG-LLVKDONJSA-N 298.789 3.750 30 20 CHED C#Cc1ccc(CN(C)c2ccc3cc[nH]c3c2)cc1 809657215 YGCMOIZVDWOMIR-UHFFFAOYSA-N 260.340 3.786 30 20 CHED C#Cc1ccc(CN(C2CC2)[C@@H](C)c2ccco2)cc1 809552377 MMVJJLAONQZQAO-AWEZNQCLSA-N 265.356 3.987 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 476117762 KCGYOOKWODFWQI-LSDHHAIUSA-N 261.409 3.818 30 20 CHED C=CCCCCNC(=O)c1ccn(Cc2ccccc2)c1 471709538 QNZKIBSINAPZPO-UHFFFAOYSA-N 282.387 3.623 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)Cc2nc(Cl)ccc21 806579251 ATPHOLUMYDJXJH-WEVVVXLNSA-N 291.684 3.836 30 20 CHED C=CCCCCCCNC(=O)N[C@H](C)c1cccc(O)c1 806793752 KFAHRWFSYTYSBV-CQSZACIVSA-N 290.407 3.889 30 20 CHED C=C(Cl)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 297939928 AGIHQPIRPVLAIH-QWHCGFSZSA-N 272.175 3.512 30 20 CHED N#CC1(c2nc([C@H]3CSc4ccccc43)no2)CCCC1 296581134 VYQBXWZQSKVMTL-LBPRGKRZSA-N 297.383 3.643 30 20 CHED N#CC1(CS[C@H]2CCCN(Cc3ccccc3)C2)CC1 566678122 RCYODXODNKYOAO-INIZCTEOSA-N 286.444 3.688 30 20 CHED Cc1csc(NC(=O)/C=C\c2cccs2)c1C#N 809004115 JDYVVXRRQQAKEP-PLNGDYQASA-N 274.370 3.642 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cccc(Cl)c1Cl 803783606 AONVQWMAWJQIOD-CYBMUJFWSA-N 286.158 3.976 30 20 CHED C#C[C@@H](NC(=O)N(CC(=C)C)Cc1ccccc1)C(C)(C)C 808318503 MGLHLSSVJQBUEY-QGZVFWFLSA-N 298.430 3.822 30 20 CHED CCc1occc1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 647379600 YEVIAJILBYOKPC-NSHDSACASA-N 286.356 3.666 30 20 CHED N#Cc1ccnc(NCCCc2cccc(F)c2)c1Cl 561192210 MRUGMHTWABARFY-UHFFFAOYSA-N 289.741 3.790 30 20 CHED C[C@@H]1SCCC1=NNc1ncnc2c1oc1ccccc12 814773618 LZWMVQFCMKTFMS-VIFPVBQESA-N 298.371 3.669 30 20 CHED C=CCCCCCCCNC(=O)[C@@H](C)C(F)(F)F 811590741 HZAXPRJALNPLDP-LLVKDONJSA-N 265.319 3.828 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1/C=C\c1ccccc1 816021540 RWHDHMZNYNQJFK-WOLCWHLNSA-N 291.341 3.902 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC[C@@H]1C(C)(C)C#N 814935549 NRUJFZDYWLKQEV-HOCLYGCPSA-N 299.418 3.749 30 20 CHED Cc1cc(CN2Cc3ccccc3OC[C@@H]2C)ccc1C#N 488249837 OKQGVBMYWSSSIJ-HNNXBMFYSA-N 292.382 3.650 30 20 CHED C=CCCCCOC(=O)c1ccc(-c2nnc(C)o2)cc1 811010047 GWDHMJFAPCOKKA-UHFFFAOYSA-N 286.331 3.558 30 20 CHED N#Cc1ccc2c(c1)C(=NNc1ccc3ccccc3n1)CC2 811629729 CWQBDAIAXVODAK-UHFFFAOYSA-N 298.349 3.869 30 20 CHED C=CCC1(NCc2cc(Cl)ccc2F)CCOCC1 657632932 CWQZSZQDHNEOLJ-UHFFFAOYSA-N 283.774 3.694 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ncc2c(n1)CCC(C)(C)C2 488430442 DTZFRVCCIYPFBU-LBPRGKRZSA-N 287.407 3.532 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1ccc(C(C)C)cc1 811661443 LHEOOYHDBZNJEP-AWEZNQCLSA-N 276.449 3.877 30 20 CHED C#Cc1ccccc1CC(=O)N(C1CCC(C)CC1)C1CC1 812879354 OQASPYQRDUKOTD-UHFFFAOYSA-N 295.426 3.780 30 20 CHED Cc1ccc(Cn2nc(C)c(C=NOC3CCC3)c2C)cc1 812235218 AYKKZDBAOFGMQM-UHFFFAOYSA-N 297.402 3.760 30 20 CHED CC#CCCN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 482167541 WUBDPJGRXMKALP-HOTGVXAUSA-N 261.796 3.979 30 20 CHED C=CCn1cccc1C(=O)Nc1ncc(C(C)(C)C)s1 488754547 UOEMMNOZPBVKGR-UHFFFAOYSA-N 289.404 3.680 30 20 CHED C=C(CC)Cn1cc(-c2ccc(OC)c(Cl)c2)nn1 656453643 PJGMHGHLIQLYGH-UHFFFAOYSA-N 277.755 3.573 30 20 CHED Cc1ccc2c(c1)C/C(=C1\COc3ccc(F)cc31)C2=O 729148512 AUCOGXHLMBCGJN-NXVVXOECSA-N 280.298 3.719 30 20 CHED C=CCCCCCCCNC(=O)c1c(C)nsc1NC 811589851 IYOMPMDXLBBFTI-UHFFFAOYSA-N 295.452 3.750 30 20 CHED Cc1nc(N[C@@H]2COCc3ccccc32)c(Cl)cc1C#N 574261467 DRSDEZHQXKCIHX-OAHLLOKOSA-N 299.761 3.599 30 20 CHED C=CC[C@@H](C)C(C)=NNC(=S)Nc1ccc(C)cc1 727776616 CUMZZJZFEIQPAG-GFCCVEGCSA-N 275.421 3.870 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)s1 728230186 AZCGYFRAKDVMNG-SOFGYWHQSA-N 258.342 3.967 30 20 CHED C[C@@H]1[C@@H](NC2CCC(Oc3ccccc3C#N)CC2)C[C@H]1C 495051385 VMNALOWSJWKELG-RAGICBKZSA-N 298.430 3.882 30 20 CHED CCCN(C(=O)C#CC(C)C)[C@@H](C)c1ccccc1OC 824501985 CWTVSJDRMGSANC-HNNXBMFYSA-N 287.403 3.654 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C#N)cc2)cnn1C(C)C 588559560 DWJLTNQSNSRMNC-HJWRWDBZSA-N 279.343 3.540 30 20 CHED C=CCCCC[C@H](C)Nc1cccc(CC(=O)O)c1 581536036 ZPIPGAMCXZFXRA-ZDUSSCGKSA-N 261.365 3.861 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCC[C@H]1CC)c1ccncc1 825857907 COTXAMPJSKUTGH-KBMXLJTQSA-N 272.392 3.641 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cnc(Cl)cc2C)C1 821985391 AACCEHQMTYBASY-GFCCVEGCSA-N 293.798 3.863 30 20 CHED C=CCC[C@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1ccco1 902436582 ZXQSKLIWJQLWQK-LZLYRXPVSA-N 282.387 3.501 30 20 CHED N#Cc1sccc1-c1ccc(C2(C#N)CCOCC2)cc1 904894957 LDVIAUSHCMRBNZ-UHFFFAOYSA-N 294.379 3.859 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(C)c(Cl)c2)cn1 588596075 DAJLLEGQIUDZRL-SREVYHEPSA-N 274.751 3.761 30 20 CHED Fc1cccc(C=NNc2ccc3ccccc3n2)c1F 730721345 DVBUAULXNGYSGC-UHFFFAOYSA-N 283.281 3.959 30 20 CHED CCCCCCCCCN(C)C(=O)/C=C\[C@@H]1CCOC1 822696768 DDXISQDHLRFAOL-BLIJAFNYSA-N 281.440 3.788 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)CCc2ccco2)C1 660254649 OKJAKTWGUUEIKV-LSDHHAIUSA-N 290.407 3.598 30 20 CHED Cc1ccc(CCC(=O)N[C@@H](C)c2cccc(C#N)c2)s1 589437781 GKDMJUBPZHGASX-ZDUSSCGKSA-N 298.411 3.738 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)/C=C\c1ccsc1 730936593 IXIPJNGLAXGLLM-PLNGDYQASA-N 299.399 3.828 30 20 CHED C[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1F 839048404 DEIUWLGFRBSDNB-YNEHKIRRSA-N 275.323 3.555 30 20 CHED Clc1cnc2oc(C=NOCCC3CC3)cc2c1 834981831 BRAGMVIIJULXBW-UHFFFAOYSA-N 264.712 3.632 30 20 CHED FC(F)C(F)(F)COc1cccc(C(F)(F)F)c1 736433469 BTPHFNSSKFGRRN-UHFFFAOYSA-N 276.151 3.985 30 20 CHED COC(=O)c1ccc(NN=C2CCC[C@@H]2CCF)cc1F 835017928 CRDAPHJGFXIHDW-SNVBAGLBSA-N 296.317 3.540 30 20 CHED C#Cc1ccc(C(=O)N(CC)[C@H](C)Cc2ccsc2)cc1 907548505 ADCDAYPCDGWFTO-CQSZACIVSA-N 297.423 3.823 30 20 CHED CN(Cc1cc(C#N)ccc1Br)C(C)(C)C 582001450 ROMVLXYVLJRZFT-UHFFFAOYSA-N 281.197 3.551 30 20 CHED CC[C@H](Nc1cnn(C)c1C1CC1)c1cccc(C#N)c1 902958255 YEAAWFYIDAIUPC-HNNXBMFYSA-N 280.375 3.732 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc(C)c1F 839051314 DIZMPRRSFYRNQF-GXTWGEPZSA-N 275.323 3.682 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1ccc(N)cc1C 835020158 JCYZRCRNYHXFLW-SFHVURJKSA-N 297.377 3.717 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)O)s1 901913608 ZVFUCBBGPUYJRT-MNOVXSKESA-N 282.409 3.627 30 20 CHED C[C@@H](NN=Cc1cccc(Cl)c1Cl)C(F)(F)F 834996733 OJFPACIXNJDWMM-ZCFIWIBFSA-N 285.096 3.868 30 20 CHED CC(=NNCCCOc1ccccc1)c1sccc1C 733747810 TYIUGEUGRUPXPH-UHFFFAOYSA-N 288.416 3.839 30 20 CHED C[C@H]1CC[C@H](C)C(=NNc2cc(C#N)cc(Cl)n2)C1 834967489 HAWQGAUSDHCXIG-UWVGGRQHSA-N 276.771 3.831 30 20 CHED C#C[C@H](NC(=O)C(C)=C1CCC1)c1ccc(Cl)cc1F 832373526 AVQGQPUGQDDNQB-HNNXBMFYSA-N 291.753 3.770 30 20 CHED CCCCCCCCCOC(=O)[C@H]1CCCN(C(C)=O)C1 919015723 KMYRYAMHCMRKSZ-INIZCTEOSA-N 297.439 3.539 30 20 CHED C=C(Cl)COC(=O)CCOc1ccc(F)cc1Cl 917289078 UQYWAROVVZILSC-UHFFFAOYSA-N 293.121 3.544 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1ccccc1)CO2 737443556 KCKGSBLONBOETL-GDNBJRDFSA-N 264.324 3.962 30 20 CHED CC(C)CO[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839436455 YDFFRZWICDHKHO-ZDUSSCGKSA-N 296.370 3.711 30 20 CHED N#CC1(CCN2CCOCC3(CCCC3)C2)CCCCC1 591028696 NMBYRDUOXLBHIW-UHFFFAOYSA-N 290.451 3.743 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCOC1CCC1 743044116 FOTOLSOLNINFJA-PDGQHHTCSA-N 269.344 3.533 30 20 CHED CC(=NN=C1CCC[C@@H]1CCC(C)C)c1cnccn1 745202001 QGUFVODSCULCMF-CQSZACIVSA-N 272.396 3.878 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ncnc2sccc12 747755235 NMGGRUJZUYNQPT-SNVBAGLBSA-N 274.393 3.915 30 20 CHED CCC[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 597371870 LMVZZXGXAPTQMQ-HNNXBMFYSA-N 276.424 3.889 30 20 CHED COc1cc(C=NNc2cccc3c2CCCC3)ccc1O 917552521 JRVUYOIOCMZSMH-UHFFFAOYSA-N 296.370 3.726 30 20 CHED C[C@@H]1C[C@H](CC(=O)N2CCC[C@@H](CC#N)C2)CC(C)(C)C1 597913979 SKTGWKUKKKMTNZ-OWCLPIDISA-N 290.451 3.991 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C 842336863 YIZZPDWKDQWISN-BBWFWOEESA-N 295.382 3.643 30 20 CHED CC1CCC(CNC(=O)/C=C\c2ccccc2C#N)CC1 919866687 OPBOCEQXCWAXGM-KHPPLWFESA-N 282.387 3.514 30 20 CHED CC[C@H](C)C(C)=NNc1ncccc1C(F)(F)F 915051106 LDHZJRSRFVUCHE-QMMMGPOBSA-N 259.275 3.934 30 20 CHED C=C(C)CCOC(=O)c1ccccc1Oc1ccccn1 744304744 AHJLENJZBFVWQR-UHFFFAOYSA-N 283.327 3.997 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 842676597 BGTJWLQFISXRLQ-YNEHKIRRSA-N 295.386 3.811 30 20 CHED C=CCN(CC=C)C(=O)/C=C(\CC)c1ccc(C)cc1 741529059 QAZJECBAPFYZSJ-JQIJEIRASA-N 269.388 3.989 30 20 CHED CCCCCCCC(=O)N1C[C@@H](C)S[C@H](C)C1 742772551 LMUYCGGTXXEOTR-CHWSQXEVSA-N 257.443 3.699 30 20 CHED CCCCCCCCCN(C)C(=O)Cc1cncc(O)c1 848369291 HQMAELYSJFULFS-UHFFFAOYSA-N 292.423 3.539 30 20 CHED C=CC(C)(C)COC(=O)c1cccc2ccncc12 842810148 FGXZIRHMKAYNGB-UHFFFAOYSA-N 255.317 3.604 30 20 CHED CC[C@@H](C#N)C(=O)N(C)Cc1ccccc1-c1ccccc1 593444786 AWOMDOMKFUCJSH-HNNXBMFYSA-N 292.382 3.862 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(C(F)F)cc1F 847398601 FNFUJNTXSCKSFJ-UHFFFAOYSA-N 298.308 3.775 30 20 CHED C=CCN(C(=O)NCCCCc1ccccc1)C(C)C 918061940 IDKQISNRPRAYOJ-UHFFFAOYSA-N 274.408 3.615 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)[C@@H]1CCC[C@@H](C)C1 595649238 XLHFEUBVXVNPOY-FXUDXRNXSA-N 291.439 3.536 30 20 CHED CCCCCCCOC(=O)[C@H]1Cc2ccccc2O1 918493409 SFZRZOCKBNWKQE-OAHLLOKOSA-N 262.349 3.504 30 20 CHED Oc1nc2ccccc2cc1/C=N\[C@@H]1CCCC[C@H]1F 840712284 IHJBYUYMONQOJA-CDDIRPGHSA-N 272.323 3.640 30 20 CHED C[C@@H](NC(=O)[C@@H]1CC2CCC1CC2)c1cccc(C#N)c1 590072364 XDBJILZUKXGGQD-ZHOLYQSMSA-N 282.387 3.562 30 20 CHED CC(C)(C#N)CCCN1CC(C)(C)[C@@H]1c1ccncc1 596589805 BBMJAPFVBDTBBO-HNNXBMFYSA-N 271.408 3.794 30 20 CHED CCOc1cccc([C@@H](C)/N=C\c2cc(OC)ccc2O)c1 745012711 ONJYCKWLYHHIDW-CQLSMYGBSA-N 299.370 3.980 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 847168720 OAEHXUOTXJDGIK-ZWNOBZJWSA-N 298.308 3.569 30 20 CHED CC(CCCCC#N)=NNc1ncnc2sccc12 841613924 JIAXOJHZIBIFRW-UHFFFAOYSA-N 273.365 3.563 30 20 CHED C(=NNc1ccccn1)c1csc(-c2ccsc2)n1 920364639 HMISNLUNZZBWRD-UHFFFAOYSA-N 286.385 3.713 30 20 CHED C#CC1CCC(=NNc2ccc(C(F)(F)F)cn2)CC1 853262611 CQQGFASFLCXGRB-UHFFFAOYSA-N 281.281 3.692 30 20 CHED CCC[C@@H](C)C(=O)OCc1ccc(C#N)cc1OC(F)F 752539592 CNJJHUIPWPURFZ-SNVBAGLBSA-N 297.301 3.639 30 20 CHED Fc1ccc(Oc2ccc(C=NOCC3CC3)cn2)cc1 853349438 YHXQYGWDXOXFNY-UHFFFAOYSA-N 286.306 3.774 30 20 CHED C#Cc1cccc(NC(=S)NN=C(C)CC2CCC2)c1 758375027 NILBMOXJYCFJCI-UHFFFAOYSA-N 285.416 3.520 30 20 CHED Cn1c(C=NNc2cccc(Cl)c2)nc2ccccc21 755472462 UDEIHNJNMTUSRL-UHFFFAOYSA-N 284.750 3.673 30 20 CHED C#CCCCC(=O)OCc1ccc2ccccc2c1 759172814 BPCQHHPNCLBXQV-UHFFFAOYSA-N 252.313 3.687 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCCc2cc(C#N)ccc21 926603097 SZOSSZLITNRIEC-GUYCJALGSA-N 281.403 3.854 30 20 CHED C=CCC(CC=C)C(=O)OCCOc1ccccc1F 758527856 XEVHOZTVJURVSB-UHFFFAOYSA-N 278.323 3.516 30 20 CHED C#C[C@H](CC)NC(=O)N(CC)[C@@H](CC)c1ccccc1 753258258 ADUBBKRTYFRINU-CVEARBPZSA-N 272.392 3.581 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@H](C)CCC(C)(C)C 754026253 OWGPLSUHIWIZFM-GFCCVEGCSA-N 289.375 3.935 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(O)c(COC(C)C)c1 936027821 JRUFWVBJHNZAOO-CYBMUJFWSA-N 291.391 3.858 30 20 CHED C=C1CCN(C(=O)Nc2c(C)cccc2OC(F)F)CC1 930186636 WEGQFOXBKRPXFQ-UHFFFAOYSA-N 296.317 3.780 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1cc(F)ccc1F)OCC 756479119 XIPFAADURXZMBO-XHDPSFHLSA-N 298.329 3.940 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 934921351 AXEWFTMMGSRTKS-GJZGRUSLSA-N 279.424 3.587 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1ccccc1O 757474938 ONXYRLHYLCJIQH-VMPITWQZSA-N 260.239 3.567 30 20 CHED CCCCCCCCCN(C)C(=O)c1nc(C2CC2)no1 865911812 HPMLGNQNSZDSNV-UHFFFAOYSA-N 293.411 3.770 30 20 CHED N#Cc1cccc(NN=Cc2c(F)cccc2Cl)c1 767336556 RYTFGOOQGWXNLC-UHFFFAOYSA-N 273.698 3.797 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(C)ccc1OC 767373134 KARBGFWKSDFHIM-UHFFFAOYSA-N 293.370 3.798 30 20 CHED CCCCCCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] 862358768 UZXNYTUGASVLAX-UHFFFAOYSA-N 278.352 3.603 30 20 CHED C=CCOc1ccc(C=NOCC(F)(F)F)cc1Cl 764845050 PNCFDSUNOKCMOS-UHFFFAOYSA-N 293.672 3.818 30 20 CHED CS[C@H](C)CCC(=O)OCC#Cc1cccc(Cl)c1 762924937 BSBKBEKTKACSBV-GFCCVEGCSA-N 296.819 3.766 30 20 CHED CCCCCCCNC(=O)/C=C/c1cnc(C)s1 862356674 MXBIMXFYERJHEZ-CMDGGOBGSA-N 266.410 3.551 30 20 CHED C#CCCCCNC(=O)N1CC[C@H](C)C2(CCCCC2)C1 765895357 XHGILXDMEMHCNY-INIZCTEOSA-N 290.451 3.792 30 20 CHED Cc1cc(Br)ccc1NN=Cc1cncs1 767787380 UDGVUAXHSKAWPI-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C=CCC[C@@H](O)CN1CCC(c2cc3ccccc3[nH]2)CC1 760828210 HQCCMCYJOCUBKH-QGZVFWFLSA-N 298.430 3.674 30 20 CHED Brc1cc(NN=C/C=C/c2ccco2)ccn1 769810908 SIAKAEKYPCWXGM-CSEFEUEDSA-N 292.136 3.548 30 20 CHED C[C@H](NC(=O)N1[C@H](C)CCC1(C)C)c1ccc(C#N)cc1 878421621 AQCOPKVYPXCPIT-OLZOCXBDSA-N 285.391 3.592 30 20 CHED C=CCCC[C@H](C)NC(=S)NC1CCCCC1 776204698 WOVKOXJKTYYIPI-LBPRGKRZSA-N 254.443 3.528 30 20 CHED C[C@H]1CN(C(=O)NCC(C)(C)CCC#N)Cc2ccccc21 873014288 NTXOTGSFHZXRPN-AWEZNQCLSA-N 299.418 3.645 30 20 CHED C=CCCCCNC(=O)c1ccc(F)c(C(=O)CC)c1 770083673 XJGBTURXSNKOFR-UHFFFAOYSA-N 277.339 3.505 30 20 CHED C#CCN(C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21)C1CC1 779686125 YXZNXUHHNIFUJE-GOSISDBHSA-N 296.414 3.605 30 20 CHED CCCCCCCCCNC(=O)N1CCCC[C@H]1CCO 776038728 IWNQQGYRJRMZAS-INIZCTEOSA-N 298.471 3.684 30 20 CHED Cc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)oc1C 776395156 IESOOGKMDUGBAY-AWEZNQCLSA-N 261.321 3.526 30 20 CHED C=C(C)CN(C)C(=O)/C=C/c1ccccc1OC(F)(F)F 778457259 MVIQVXRAUJICCF-CMDGGOBGSA-N 299.292 3.633 30 20 CHED CN1CCC(C=NNc2ccc(Cl)c(Cl)c2)CC1 872341378 QFNSTPADRLMXLA-UHFFFAOYSA-N 286.206 3.733 30 20 CHED C[C@@H](C(=O)OCCC(C)(C)C#N)c1cccc(Cl)c1 776388791 ATJSQWULMAGQSH-LLVKDONJSA-N 279.767 3.927 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cnccc1C 771552761 JAZKLPQIVPNVAM-UHFFFAOYSA-N 261.275 3.504 30 20 CHED CCCc1cccc(/C=C\C(=O)c2cnn(CC)c2)c1 774126075 DNRLDFOAULSIPT-KTKRTIGZSA-N 268.360 3.752 30 20 CHED C#C[C@H](C)N(C)Cc1cc(Br)c(Cl)s1 775182564 CZMHISXDHLNRNK-ZETCQYMHSA-N 292.629 3.618 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1ccc(N)cc1C 773125034 LUYXGAIBWFVGMW-INIZCTEOSA-N 273.424 3.860 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(Cl)ccc1SCC 770424063 IFRAYKXWABPRNQ-SNVBAGLBSA-N 296.823 3.937 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)Oc2c(F)cccc21 775421572 RGNPCPBJYNTCGV-CYBMUJFWSA-N 289.350 3.523 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)OC1(CC#N)CCC1 1122999197 JMUOTLOODCEBPV-NSHDSACASA-N 293.363 3.686 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccsc2)cc1F 776726389 JAEYKNIQFLUCFN-RJRFIUFISA-N 257.289 3.655 30 20 CHED CCC/C=C/C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887699325 WAFIOMODKCVNLW-SNAWJCMRSA-N 282.387 3.621 30 20 CHED O=C(/C=C/c1ccccc1C1CC1)c1cncs1 787169015 KOBCLRPMPSDATH-BQYQJAHWSA-N 255.342 3.917 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCCc2ccccc21)c1cccc(F)n1 1122714309 JEANDOJFHDPXHV-CABCVRRESA-N 294.329 3.517 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@@H](c1ncccn1)C1CCCC1 1122798616 SKYSJUKNDWZIEX-XJKSGUPXSA-N 288.391 3.853 30 20 CHED CCCC(CCc1ccccc1)=NOC[C@@H]1CCOC1 788031680 XNOVVDQHIXQIAR-MRXNPFEDSA-N 275.392 3.828 30 20 CHED CC#CCCCC(=O)Oc1ccc(OCC(C)C)cc1 789528033 ODMNVAKCVWIUDH-UHFFFAOYSA-N 274.360 3.820 30 20 CHED C#CCCCCCC(=O)N1CCc2ccccc2C1(C)C 780733047 YXHGKIKVEREQPJ-UHFFFAOYSA-N 283.415 3.890 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)nc(Cl)c1 787939624 UAMFSVMGIHPLLN-GFCCVEGCSA-N 273.163 3.929 30 20 CHED CC(=NN1CCOCC1)c1ccccc1SC(C)(C)C 788409072 RXYDROHVDINAPE-UHFFFAOYSA-N 292.448 3.633 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)C1(C#N)CCCC1 890610724 VHNXERFVJGDSQT-HNNXBMFYSA-N 268.360 3.564 30 20 CHED Brc1ccc(NN=C2CCC23CCCC3)cn1 788715927 WWSVQFPRFOSLPE-UHFFFAOYSA-N 294.196 3.966 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(F)c(C(=O)CC)c1 785856671 XMDDWCDYZVZXBI-CYBMUJFWSA-N 289.350 3.599 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)CC1 890141324 IWAATFLZJYKFCN-GFCCVEGCSA-N 289.341 3.922 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCC(F)(F)C2)c(CO)c1 893947277 ZJQVVPSNNVGHGZ-ZDUSSCGKSA-N 294.345 3.678 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\[C@H]2C[C@H](c3ccccc3)C2)c1 797785131 UTPWEZVLFMTYIL-LALNJWKFSA-N 296.326 3.666 30 20 CHED C#C[C@H](CCC)NC(=O)CCc1ccc2ccccc2c1 791201043 MHSDENKEDZIQEV-GOSISDBHSA-N 279.383 3.691 30 20 CHED CC(C)(C#N)CC(=O)N1CCCc2ccc(F)c(Cl)c21 892142963 PVVGYYRMTYAUQL-UHFFFAOYSA-N 294.757 3.698 30 20 CHED Cn1c(NN=C2CCC[C@H]2CCF)nc2ccccc21 794894089 CXWQZDDAQXZUQK-NSHDSACASA-N 274.343 3.501 30 20 CHED Cc1cc(C)cc(NN=C2CCC23CCOCC3)c1 799870051 AKPNZDZASZIGRC-UHFFFAOYSA-N 258.365 3.662 30 20 CHED C=CC[C@H](CC)NC(=S)NCCCCC(F)(F)F 798376571 WFMFPSQOUNCZCX-JTQLQIEISA-N 282.375 3.538 30 20 CHED CC[C@H](Cc1ccc(C)cc1)OC(=O)c1ccc(C#N)o1 796926231 AYJCHFJFGMOAFD-CQSZACIVSA-N 283.327 3.638 30 20 CHED CCOc1ccccc1NC(=O)Nc1cc(F)cc(C#N)c1 1202145043 IIHPCPFIYJGNKS-UHFFFAOYSA-N 299.305 3.740 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)COc2cc(F)ccc21 794726867 FRXHSPXKVNLSQW-YHYXMXQVSA-N 290.240 3.763 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)n1)c1ccc(C)cc1 1219254442 ICDOTAQRUNDWFF-HNNXBMFYSA-N 294.358 3.535 30 20 CHED Cc1nc(C#N)cc(NC[C@H]2CCC[C@H]2c2ccccc2)n1 1307126984 JJGJQYODLKBWGR-WBVHZDCISA-N 292.386 3.653 30 20 CHED Cc1cc(F)cc2c1CN(CCc1ccc(C#N)cc1)CC2 1169699326 YXYTWKLWZFAFAE-UHFFFAOYSA-N 294.373 3.607 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)c2ccc(C)s2)c1 1319117684 CGOLXOOEUVLPQM-BQYQJAHWSA-N 286.352 3.739 30 20 CHED Cc1ccc(OC(=O)C2(c3cccc(C#N)c3)CC2)cc1F 1321156180 GNMVMWABSIQENV-UHFFFAOYSA-N 295.313 3.643 30 20 CHED CCCC(=CC(=O)OCc1ccc(C#N)cn1)CCC 1324641471 KBWDZSYTMRESOZ-UHFFFAOYSA-N 272.348 3.523 30 20 CHED N#CCCCOC(=O)c1ccc(-c2cccs2)s1 1320016277 CWNUZNHVINEETN-UHFFFAOYSA-N 277.370 3.937 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@@H](C(C)C)CC2)n1 79343647 LGSGYVMOMRTODR-CQSZACIVSA-N 257.381 3.524 30 20 CHED N#Cc1ncccc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 562239348 QEOODGUJJJRPQB-QWRGUYRKSA-N 283.297 3.734 30 20 CHED C[C@H]1C[C@H](NCc2cccc(OCC#N)c2)CC[C@H]1C 85040273 WEEVIXBYFOUEKB-IJEWVQPXSA-N 272.392 3.503 30 20 CHED C#CCN(CC1CC1)C(=O)c1cccc(OCC=C(C)C)c1 1324383220 XFAJYVOMIYKESX-UHFFFAOYSA-N 297.398 3.517 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC)c(OC(C)C)c1 1338949263 GOVYPRYMLWTLSG-UHFFFAOYSA-N 277.364 3.777 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2cccc(C#N)c2)C1(C)C 1180489227 WVVVOCLYMPSFHS-GJZGRUSLSA-N 258.365 3.562 30 20 CHED CSc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1 92213020 YUPYQYMBYZCWCC-OAHLLOKOSA-N 288.416 3.611 30 20 CHED CCCOc1cccc(CN2CCCC(C)(C)[C@H]2C#N)c1 1194101896 REXUAVSOSJEYOV-QGZVFWFLSA-N 286.419 3.990 30 20 CHED C=C[C@@H](COC)N[C@H](C)CC(C)(C)c1ccccc1 1342744306 JSSYVGKDJZVRHR-ZBFHGGJFSA-N 261.409 3.533 30 20 CHED CC(C)c1nnc(-c2ccc(C(C)(C)C#N)cc2)o1 1261431085 NLPCGWIPHCKPSE-UHFFFAOYSA-N 255.321 3.661 30 20 CHED C[C@@H](OC(=O)C1(C(C)(F)F)CC1)c1ccc(C#N)cc1 1261777405 CAMHEYCNHRSXFQ-SNVBAGLBSA-N 279.286 3.598 30 20 CHED C#Cc1ccc(N[C@@H](CC)c2ccc(OC)c(OC)c2)nc1 1262696463 HDESQAZDJQWGEU-HNNXBMFYSA-N 296.370 3.643 30 20 CHED CN(C(=O)c1ccsc1C(F)F)c1cccc(C#N)c1 1357381294 KFVNUAMRDCLWJB-UHFFFAOYSA-N 292.310 3.834 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)[C@@H](CC#N)c1ccccc1 1517972827 YKJHBYWNOMBYDA-JKSUJKDBSA-N 284.403 3.769 30 20 CHED CSc1ccc(CCC(=O)O[C@@H]2CC[C@H](C#N)C2)cc1 1525006741 PNWMTMCGNOVADB-UONOGXRCSA-N 289.400 3.577 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2ccc(F)c(C#N)c2)C1 1528163962 IQCNWRFTCPDRIV-ZDUSSCGKSA-N 275.323 3.823 30 20 CHED Cc1ccc(C)c(CSc2ccc(C(=O)O)nc2C#N)c1 1607762950 KHBZCYPZLSOLBK-UHFFFAOYSA-N 298.367 3.561 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1cccc(C#N)c1C 1538799733 QWYGYQZWSATSFS-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1532511480 NMGRFADAIALVDI-ONGXEEELSA-N 278.302 3.601 30 20 CHED N#Cc1cc(Cl)ccc1SCCc1ccccn1 1613587211 PQXTXEYMJJCKJJ-UHFFFAOYSA-N 274.776 3.941 30 20 CHED N#Cc1c(F)cccc1N1CCc2cccc(Cl)c2C1 1612468516 KDHZWISAOIZSBK-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H](C)C1 1620591932 VIDMVMQRIGDUTN-KFWWJZLASA-N 256.393 3.987 30 20 CHED Cc1ccc(C#N)c(NCC2(CC(C)C)CCC2)n1 1639642695 GFQSFTJXNJAUMS-UHFFFAOYSA-N 257.381 3.890 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccc2c1NCCC2 1560657933 GAVZITPWSZQYGF-UHFFFAOYSA-N 285.435 3.806 30 20 CHED CCc1ccc([C@H](N=c2cc[nH]c(C#N)c2)C(C)C)cc1 1649351908 JYSFJIUOUNZFEP-GOSISDBHSA-N 279.387 3.747 30 20 CHED COc1cc(OC[C@@H]2CCCC[C@@H]2C)ccc1C#N 1643890725 OWABQIMMAVCBHM-JSGCOSHPSA-N 259.349 3.772 30 20 CHED CC(C)CC1CCN(c2cccc(F)c2C#N)CC1 1642386331 RDECGKOHGSLWNS-UHFFFAOYSA-N 260.356 3.960 30 20 CHED CN(C(=O)c1ccc(Cl)o1)c1ccc(C#N)c(Cl)c1 1587817138 UCLGJXZRAURLCD-UHFFFAOYSA-N 295.125 3.735 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2cccs2)c1 1584930878 YQWOBIKVBIPXQC-NSHDSACASA-N 270.357 3.670 30 20 CHED C=Cc1ccc(CCNc2nc(C#N)c(Cl)s2)cc1 1651876268 XRUXOHFTAOWPRB-UHFFFAOYSA-N 289.791 3.966 30 20 CHED Cc1cc(CNc2ccc(OCC(C)C)nc2)ccc1C#N 1650815205 ZTIKIIGKUOLRHC-UHFFFAOYSA-N 295.386 3.909 30 20 CHED Cc1nc(C#N)cc(N[C@H](c2ccccc2)C(C)(C)C)n1 1655276337 OEIUPVFQADAVHK-MRXNPFEDSA-N 280.375 3.856 30 20 CHED C=C(CNC(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1664072128 MOYOYDWIMHMJHW-UHFFFAOYSA-N 295.317 3.532 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccccc1 1679985399 KGJHAPZYKXKFPP-JJRVBVJISA-N 286.419 3.824 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(Cc2cccc(Cl)c2C)C1 1776162499 KOGAWJITZCMAQS-MRXNPFEDSA-N 293.794 3.501 30 20 CHED Cc1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)c(F)c1 1777433898 YVOLKZWJUSCGFZ-HWKANZROSA-N 290.315 3.790 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 1776155091 ZIENUDOFWSSZQZ-JENIJYKNSA-N 299.414 3.533 30 20 CHED N#CCCCN(CCc1cccc(F)c1)C1CCCC1 152587612 CESYELIPRQVZMW-UHFFFAOYSA-N 274.383 3.917 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C)c(OC(F)F)c1 153846505 BLGBAIWTCZUSMY-UHFFFAOYSA-N 296.317 3.521 30 20 CHED N#CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 153994204 BKZDJOBEVHTCJK-UHFFFAOYSA-N 293.754 3.516 30 20 CHED CC(C)(C#N)C(=O)Nc1ccccc1CCC(F)(F)F 155315874 OINZJLAIXVAVEV-UHFFFAOYSA-N 284.281 3.670 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 157371527 SUXGSYKPLGGFAV-GFCCVEGCSA-N 289.404 3.731 30 20 CHED N#CCN(Cc1cc(-c2cccs2)on1)C1CCCC1 156739522 CAUBFMBUPXFYIV-UHFFFAOYSA-N 287.388 3.671 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(O)c2)c(C)s1 8322639 CDNLARREYJSBNP-VOTSOKGWSA-N 258.342 3.967 30 20 CHED Cc1cc(CN[C@@H]2CCC[C@@H](C)CC2)ccc1C#N 1662242070 NMPDWCHNBYOLRS-CXAGYDPISA-N 256.393 3.925 30 20 CHED C#CC1CCN(Cc2nc(-c3cccs3)oc2C)CC1 830305758 UDIMLRWKICMJJZ-UHFFFAOYSA-N 286.400 3.557 30 20 CHED CC(C)c1ccccc1C(=O)N1CCC[C@](C)(C#N)C1 832066756 WWTGSMAWOLFNES-QGZVFWFLSA-N 270.376 3.576 30 20 CHED CSCCCCCNc1ccc(F)cc1C#N 229570070 WNOMYWHZLUHGFO-UHFFFAOYSA-N 252.358 3.643 30 20 CHED CC(C)c1ccc(-c2noc(CSCC#N)n2)cc1 230958126 UJOPCRLKLKATFI-UHFFFAOYSA-N 273.361 3.617 30 20 CHED COc1ccc(NCc2ccc(F)c(C#N)c2)c(C)c1 124340192 KOIAIBIYAXWFCX-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CN(CCCOc1ccc(C#N)cc1)Cc1cccs1 35717403 HGRFJJROGKBKQF-UHFFFAOYSA-N 286.400 3.521 30 20 CHED C[C@H](N[C@H](C)CCc1ccco1)c1cccc(C#N)c1 37232964 JQNRAEGPKUBDTL-KGLIPLIRSA-N 268.360 3.823 30 20 CHED COc1ccc(CNc2cc(Cl)ccc2C#N)cc1F 37758078 WTKDGGHEQBPZDL-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#CC1(NC(=O)c2ccc(Cl)c(Cl)c2)CCCCC1 40215382 HAJRFQPFWOSKPC-UHFFFAOYSA-N 297.185 3.950 30 20 CHED N#CCc1ccc(COc2cc(F)ccc2F)cc1 44370578 NAYFTUDZCKWKNL-UHFFFAOYSA-N 259.255 3.610 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccsc1 50343042 RGKIIRUGWRWRBH-SECBINFHSA-N 273.317 3.701 30 20 CHED CC1(C)CCC[C@@H]1Nc1snc(Cl)c1C#N 301511671 AVCKUOCEJZBMHP-QMMMGPOBSA-N 255.774 3.659 30 20 CHED C[C@@H]1CCC[C@H](CNCCc2cccc(C#N)c2)C1 466409939 NKUMZMUZALVEDN-PBHICJAKSA-N 256.393 3.517 30 20 CHED CC(C)c1nc(/C(O)=N/[C@@H](CO)CC2CCCC2)cs1 330450515 YCDZEHGGWHZNQR-GFCCVEGCSA-N 296.436 3.512 30 20 CHED N#Cc1cc(Cl)ccc1NCCCc1nccs1 344431705 KVQYIMGUWMDRMD-UHFFFAOYSA-N 277.780 3.713 30 20 CHED N#Cc1cnc(N[C@H]2CC23CCCCC3)c(Cl)c1 356769688 BCPUXJRCCAENBM-LBPRGKRZSA-N 261.756 3.741 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](O)c1ccc(F)cc1 692250013 BXSRYGYIWIUXHQ-XOKHGSTOSA-N 277.383 3.584 30 20 CHED N#CCc1ccc(COc2ccc(Cl)cc2)cc1 399116961 GJWZBPCSOPXQCL-UHFFFAOYSA-N 257.720 3.985 30 20 CHED COc1cc(NCc2ccc(CC#N)cc2)ccc1F 399148431 XXOONEBXQALWAQ-UHFFFAOYSA-N 270.307 3.512 30 20 CHED C=CCOc1cc(NC(=O)OC(C)(C)C)ccc1C 769563250 SMPBHRPRJBIYQW-UHFFFAOYSA-N 263.337 3.907 30 20 CHED C=CCSc1nnc(Nc2ccccc2OC)s1 6831803 GLBLZMGXPPJYQV-UHFFFAOYSA-N 279.390 3.568 30 20 CHED CC(C)Oc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 8570293 NZNMTHYXGFMNEE-UHFFFAOYSA-N 280.327 3.598 30 20 CHED Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1 15499428 KREREKMMCZQSBM-CQSZACIVSA-N 293.370 3.500 30 20 CHED COc1cccc2c1N(Cc1ccc(C#N)cc1F)CCC2 26339263 XQYKQSGVOIXACX-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CN(CCOc1ccccc1C#N)C1CCCCCC1 36328534 JFYRJVLJPLSIEE-UHFFFAOYSA-N 272.392 3.592 30 20 CHED C[C@H](N[C@H]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 37211362 ZDZGJPMOGNNHJI-ZQIUZPCESA-N 272.392 3.818 30 20 CHED N#CCc1cccc(C(=O)Oc2cccc(Cl)c2)c1 42194155 VYOVJZYKPOHHND-UHFFFAOYSA-N 271.703 3.625 30 20 CHED C[C@@H](N(C)CCCOc1cccc(C#N)c1)C(C)(C)C 42763973 YIDVDPXLKLRQLU-CQSZACIVSA-N 274.408 3.694 30 20 CHED CCC[C@H](C(=O)NCc1cccc(C#N)c1)c1ccccc1 45212192 BWLQOMOYBHSYJG-SFHVURJKSA-N 292.382 3.758 30 20 CHED CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)cc1 45405363 BISCNDWGKSYYBJ-FZMZJTMJSA-N 293.798 3.592 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1 59270268 PGJVDXBDDUZCLF-RMKNXTFCSA-N 251.260 3.593 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2ccccn2)cc1OC 60830468 XWZQNBYJCNQYHF-AWEZNQCLSA-N 298.386 3.506 30 20 CHED N#Cc1ccc(NCCc2ccc(O)cc2)cc1Cl 61846251 NVNAQWJYFXANQF-UHFFFAOYSA-N 272.735 3.572 30 20 CHED C=CCN(Cc1nnsc1Cl)CC1CCCCC1 69860211 HKJBIXUJXCQICZ-UHFFFAOYSA-N 285.844 3.760 30 20 CHED CC[C@H](Nc1snc(Cl)c1C#N)c1ccncc1 78306123 LEFSTJCAJACGHM-JTQLQIEISA-N 278.768 3.626 30 20 CHED Cc1ccc2c(CNc3ccc(C#N)cc3)cc(=O)oc2c1 78333369 WPPNBAORULRJIE-UHFFFAOYSA-N 290.322 3.585 30 20 CHED N#Cc1ccc(CNC(=O)CCCC2CCCC2)cc1 79485405 HCAVKEMKXWLBAH-UHFFFAOYSA-N 270.376 3.535 30 20 CHED C=C(C)CN(CC)C(=O)[C@]1(C)CCc2ccccc2C1 79512689 ADZOCVXIWSIFHB-GOSISDBHSA-N 271.404 3.606 30 20 CHED CCOc1ccc(OCC)c(NCCC(C)(C)C#N)c1 87590895 OHPGVMSIDJUDCX-UHFFFAOYSA-N 276.380 3.836 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cccnc1Cl 88154442 WGHJIRLAZGARIV-UHFFFAOYSA-N 272.735 3.803 30 20 CHED C=CCCOCCN[C@@H](C)c1cc(Cl)ccc1OC 90883616 QMFDAIPWXZVEQX-LBPRGKRZSA-N 283.799 3.592 30 20 CHED C=CCCOCCN[C@@H]1CCSc2ccc(F)cc21 90884015 DPYHTDBJQYNJEK-CQSZACIVSA-N 281.396 3.545 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 91437156 KYXUYIQCZMGMNI-GHMZBOCLSA-N 269.348 3.575 30 20 CHED C#Cc1cccc(Nc2nc(C3CCOCC3)cs2)c1 92197048 OFUQAPZIOBLOGM-UHFFFAOYSA-N 284.384 3.762 30 20 CHED COc1ccc(CNc2c(C#N)cnc3ccccc23)cc1 97393462 KLLCAABPPKPILJ-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(F)ccc1F 104543794 XHJDNZVVIYNYRH-UHFFFAOYSA-N 294.345 3.757 30 20 CHED N#CCc1ccc(NCc2cn3cc(Cl)ccc3n2)cc1 105862918 DULMFLGIEQUSOR-UHFFFAOYSA-N 296.761 3.666 30 20 CHED Cc1ccc(C)c(N(C(=O)c2ccc(C#N)cn2)C(C)C)c1 107472081 KWFGECBHBKHJOS-UHFFFAOYSA-N 293.370 3.625 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccccc2C)cc1 113312884 YALVISRDTKVMRV-INIZCTEOSA-N 279.383 3.858 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H](c2ccccc2)CC1 116972448 YYPQZUYVUQXRSP-RDJZCZTQSA-N 286.419 3.930 30 20 CHED Cc1ccsc1/C=C/C(=O)c1cnn(C(C)C)c1 119673281 PKRKXFDQIQOAGU-SNAWJCMRSA-N 260.362 3.730 30 20 CHED C#CCCCCC(=O)Nc1ccc2nc(C3CC3)oc2c1 119974686 ANAUWYQUDFKSCQ-UHFFFAOYSA-N 282.343 3.837 30 20 CHED Cc1nc(NCc2cccc(C#N)c2)c2c(C)csc2n1 121443869 AHGPWLQHDGWHPZ-UHFFFAOYSA-N 294.383 3.792 30 20 CHED C=CCNC(=O)CS[C@H](C)c1ccc2ccccc2c1 122249312 LABPNTQTWFSMCK-CYBMUJFWSA-N 285.412 3.936 30 20 CHED N#Cc1ccccc1OCc1cccc(F)c1Cl 124060831 NJKFCSSHPZZLSF-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=CCn1c(SCCCC#N)nnc1-c1ccccc1C 124106560 NUCSGFKFUQGQLN-UHFFFAOYSA-N 298.415 3.835 30 20 CHED C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(C#N)cc1 128936294 RRDWQKBYRZNFDP-FZMZJTMJSA-N 272.373 3.544 30 20 CHED Cc1ccc(CN[C@H](CCC#N)c2ccccc2)o1 130461714 OPKSNIZMHOKRRF-MRXNPFEDSA-N 254.333 3.723 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)o1 136160553 OQUKOMLSGYPHQC-YVEFUNNKSA-N 266.344 3.564 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)c(F)c1 151136976 IZDIMTLGXRNUQL-QGZVFWFLSA-N 284.309 3.614 30 20 CHED C=CCCOc1ccccc1NC(=O)COc1ccccc1 157050784 SNBRRMUVEVVHDF-UHFFFAOYSA-N 297.354 3.659 30 20 CHED CC1(C)C[C@H](Nc2c(Cl)cccc2C#N)CCO1 160714366 RMCYLWFUXYRXOI-LLVKDONJSA-N 264.756 3.581 30 20 CHED N#CCC[C@H](Nc1ncnc2c1CCCC2)c1ccccc1 164309316 INPUKKWMRXTEPZ-INIZCTEOSA-N 292.386 3.812 30 20 CHED CN(Cc1nccs1)c1ccc(C(F)(F)F)c(C#N)c1 166979856 GDJFAAODPDPVHU-UHFFFAOYSA-N 297.305 3.670 30 20 CHED N#CCCCOC(=O)/C=C/c1cccc(OC2CCCC2)c1 170818766 SNTRTTAZWYXUPF-ZHACJKMWSA-N 299.370 3.868 30 20 CHED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCCCCC#N 170997344 YQYCRFWCBFOKBJ-HNNXBMFYSA-N 299.418 3.691 30 20 CHED C/C(=C\C(=O)NCCCCC#N)c1ccccc1Cl 171499143 FSUYDQFWYRNGHD-VAWYXSNFSA-N 276.767 3.553 30 20 CHED N#C[C@H](C(=O)c1cccc(C(F)F)c1)c1ccccn1 171566269 LODRIPMAZHFVNM-LBPRGKRZSA-N 272.254 3.509 30 20 CHED CC[C@H](NC(=O)NCCCCC#N)c1cccc(Cl)c1 171739523 GIOFHFGTPFCAQT-AWEZNQCLSA-N 293.798 3.784 30 20 CHED CC[C@@H](NC(=O)NCCCCC#N)c1cccc(Cl)c1 171739528 GIOFHFGTPFCAQT-CQSZACIVSA-N 293.798 3.784 30 20 CHED Cc1nc2ccccc2nc1CN(CCC#N)CC(C)(C)C 172164799 OAUUUWBWALLACG-UHFFFAOYSA-N 296.418 3.700 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](C)CCSCC)cc1 173280817 JCRHWFLQKVSDHN-ZDUSSCGKSA-N 293.432 3.513 30 20 CHED C#CCCCNC(=O)Nc1ccc(C(F)(F)F)c(C)c1 174291680 KUNWHOQLSNOMHQ-UHFFFAOYSA-N 284.281 3.549 30 20 CHED CC(C)(C#N)CCCNc1cc2c(cc1Cl)OCCO2 176439582 CBALKALOAVGUMT-UHFFFAOYSA-N 294.782 3.853 30 20 CHED Cc1cc2cc(C(=O)/C=C/c3ccnn3C)oc2cc1C 177404095 VBOLCZFLRMVXJI-SNAWJCMRSA-N 280.327 3.679 30 20 CHED C#CCCCN[C@H](C)c1sc(C(C)C)nc1C 178054358 WXTWOPMZSGLMAT-LLVKDONJSA-N 250.411 3.639 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)C1CCCC1 179797413 OKKWFMVGKDYIJX-UHFFFAOYSA-N 272.392 3.744 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H](C)[C@H](C)CC 180141355 KJGDTOIMMNWETB-KGLIPLIRSA-N 275.392 3.550 30 20 CHED CC(C)(C)C[C@H](NC(=O)C1(C#N)CCCC1)C(F)(F)F 180491782 FRRAYZBFRQIYEA-JTQLQIEISA-N 290.329 3.554 30 20 CHED CC(C)(C#N)CCCSCc1ccc(CO)cc1 180741871 PDERKIOIPPMCJZ-UHFFFAOYSA-N 263.406 3.742 30 20 CHED C[C@@H](c1nc2ccccc2o1)N(C)Cc1ccc(C#N)cc1 180912263 LDWHNYZRHYGIFO-ZDUSSCGKSA-N 291.354 3.892 30 20 CHED C=CCCCC(=O)Nc1c(Cl)ccc2nsnc12 181249150 IYWTZNNITJUTBS-UHFFFAOYSA-N 281.768 3.640 30 20 CHED CC[C@H](C)NC(=O)c1ccccc1Oc1ccccc1C#N 182117091 BMCDAGDSNXCLCN-ZDUSSCGKSA-N 294.354 3.879 30 20 CHED C#Cc1cccc(Nc2nc([C@H]3CCCOC3)cs2)c1 183880875 VLUBGYIGHQAPMY-ZDUSSCGKSA-N 284.384 3.762 30 20 CHED C=CCC[C@@H](C)N[C@@H](COCC(C)C)c1ccco1 184199529 JLFYLUNAJMTOOA-CABCVRRESA-N 265.397 3.938 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(CCN3CCCC3)cc2)C1 185741691 MEVDCJNCODMKFK-MJGOQNOKSA-N 297.446 3.819 30 20 CHED O=C1/C(=C/c2cc(F)c(F)c(F)c2)Cc2cc(O)ccc21 187222815 DBTIHZJWEPYYKB-XCVCLJGOSA-N 290.240 3.632 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1nc2ccccc2s1 188159272 JHEPBOGMUMBDJZ-OAHLLOKOSA-N 274.389 3.515 30 20 CHED C=CCCC(=O)NCCCCCc1ccc(F)cc1 188935494 BGRZARYEABLPHQ-UHFFFAOYSA-N 263.356 3.621 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)c1ccc(F)c(Cl)c1 189763317 KUPNYMALMMLFRZ-HNNXBMFYSA-N 299.773 3.671 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(F)c(C#N)c1 229748225 MGJGAOMNACSAIJ-LRDDRELGSA-N 260.356 3.708 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1)Cc1ccccc1 236733598 LYZPKHWCSGLXOV-UHFFFAOYSA-N 278.399 3.917 30 20 CHED Cc1cccc(CNCc2cccc(OCCCC#N)c2)c1 237637242 ZMTSSYQRFOKSOG-UHFFFAOYSA-N 294.398 3.967 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 245757087 OWYORRDPOSIGBV-HZPDHXFCSA-N 286.419 3.990 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1Nc1ccc(OCC#N)cc1 252201501 UEFGDYUDSOZVOH-VIKVFOODSA-N 258.365 3.826 30 20 CHED Cc1noc(C)c1/C=C1/CCc2ccccc2C1=O 255132530 USNARSVGQSXPCH-LCYFTJDESA-N 253.301 3.504 30 20 CHED O=C1/C(=C/c2ccc(Cl)cc2)CCc2nc(O)ccc21 255626513 NTIVGUGWJUIXOB-PKNBQFBNSA-N 285.730 3.653 30 20 CHED CCCCCCCCCN(C)C(=O)Cc1cc(C)on1 265085735 KWIMFIMTFVXJIB-UHFFFAOYSA-N 280.412 3.735 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1cccc(C)c1C 267634915 OWUPFTFFDRIFMY-UHFFFAOYSA-N 284.384 3.903 30 20 CHED C#CC[C@@H](NCc1ccc(C)s1)c1ccccc1 270195133 LNCHSFVYRBEOMH-MRXNPFEDSA-N 255.386 3.911 30 20 CHED N#CCCCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 273002006 HQPGRZNLEMRUDW-OLZOCXBDSA-N 297.185 3.517 30 20 CHED C=CCC(CC=C)c1nc(Cc2ccc(C)nc2)no1 273848094 BZAUJFWWYPJZKW-UHFFFAOYSA-N 269.348 3.600 30 20 CHED N#CCCCNC1CC(c2cccc(Br)c2)C1 278809688 ZPBIXGUHKMUYOR-UHFFFAOYSA-N 293.208 3.588 30 20 CHED CCCn1ncnc1CS[C@@H](C)c1ccc(C#N)cc1 279688929 FXWIJIMZNNENQC-LBPRGKRZSA-N 286.404 3.554 30 20 CHED C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 279700678 RCBRWPNGVPNMFN-CQSZACIVSA-N 284.403 3.750 30 20 CHED N#Cc1ccc(CN[C@H]2CC[C@H](c3ccc(F)cc3)C2)o1 279760526 ZSBDQOZTHXBXFJ-ZFWWWQNUSA-N 284.334 3.716 30 20 CHED COc1cccc(SCCCC2(C#N)CCOCC2)c1 281117261 ZRTOETLKIYQYRZ-UHFFFAOYSA-N 291.416 3.888 30 20 CHED COC(=O)c1cc([C@@H](C)SCCCCC#N)oc1C 292446035 NJTAKENQUQOEAU-LLVKDONJSA-N 281.377 3.863 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc([C@H]2CCOC2)cc1 294349088 VGINWIVDLJCFLC-INIZCTEOSA-N 285.387 3.897 30 20 CHED CSCc1cnc(CN2CCCC(C)(C)[C@H]2C#N)s1 294674964 MKFMXYWSMRVNTK-GFCCVEGCSA-N 295.477 3.520 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@@H](SC)C1)c1ccccc1 295593633 RQCIOPMOWOJPOT-CVEARBPZSA-N 289.444 3.700 30 20 CHED C[C@@H](Sc1ncccc1C#N)c1ccccc1F 301085033 JTIPHYVDMHXCCJ-SNVBAGLBSA-N 258.321 3.946 30 20 CHED Cc1cc(F)cc2c(N3C[C@H]4[C@@H](C3)C4(C)C)c(C#N)cnc12 301466837 QHXBENCPWFDXQO-GASCZTMLSA-N 295.361 3.646 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CCCC[C@@H]2C)c1 302043417 SKTJOZGDJXEXPL-XHDPSFHLSA-N 256.349 3.751 30 20 CHED Cc1cc(C)c2c(c1)CN(c1ccc(Cl)c(C#N)n1)CC2 302468783 PRODQLQIHKJPEV-UHFFFAOYSA-N 297.789 3.786 30 20 CHED N#Cc1ccc(NC(=O)c2sccc2Cl)cc1F 307941574 CKOVBIYMVGGPDK-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2ccccc2[nH]1 311737952 SFDGZKAGANZPLL-UHFFFAOYSA-N 256.349 3.500 30 20 CHED Cn1nncc1/C(O)=N/[C@@H](CC1CCCCC1)C(C)(C)C 328851674 WTUJBMXEVGHDEP-AWEZNQCLSA-N 292.427 3.505 30 20 CHED Cc1cnc(N=C(O)N2CC(C)(C)[C@@H]2c2cccs2)o1 329347884 DKNPUBLHLADXNY-NSHDSACASA-N 291.376 3.673 30 20 CHED Cc1noc(C2CC2)c1N/C(O)=N/CC1CCCCC1 329813688 TWCVBMYOMFLKNY-UHFFFAOYSA-N 277.368 3.767 30 20 CHED Cc1nc2cc(N=C(O)N3CC[C@@H]4CCC[C@@H]43)ccc2o1 330254859 PKKYJZOSWJAEFS-FZMZJTMJSA-N 285.347 3.556 30 20 CHED CC(C)(O)C(C)(C)NC(O)=Nc1cccc2ccsc12 330893340 QQJPKRDWEIJFKB-UHFFFAOYSA-N 292.404 3.586 30 20 CHED N#CCc1ccccc1NC(=O)C1CCCCCC1 334178396 DCJJALFQGOOYTC-UHFFFAOYSA-N 256.349 3.662 30 20 CHED N#Cc1ccc(NC(=O)N2[C@H]3CCC[C@H]2CC3)c(Cl)c1 335283825 KWHSYSZCBDBYII-RYUDHWBXSA-N 289.766 3.760 30 20 CHED CN(C(=O)[C@H]1CCC(F)(F)C1)c1cc(Cl)ccc1C#N 336089284 WXALPRQAQDEGHT-VIFPVBQESA-N 298.720 3.610 30 20 CHED Cc1cccc(CN2CC=C(c3ccc(C#N)cc3)CC2)n1 336247521 SIDSMLHIKUYNCY-UHFFFAOYSA-N 289.382 3.551 30 20 CHED CCC(CC)CN(CCC#N)C(=O)N(C)C1CCCC1 337821662 PDALKEDMJGLPON-UHFFFAOYSA-N 279.428 3.633 30 20 CHED C[C@@H](N[C@H](C)c1ccncc1F)c1cccc(C#N)c1 338015795 VXMUFCPJMXZVDV-VXGBXAGGSA-N 269.323 3.504 30 20 CHED N#Cc1cnc(NCc2nccc3ccccc23)c(Cl)c1 339136164 YPWKQIDORACGFN-UHFFFAOYSA-N 294.745 3.767 30 20 CHED C=CCC[C@H](NCCCO)c1ccc(C(F)(F)F)cc1 342217131 FDRDNYMCLFDLGK-AWEZNQCLSA-N 287.325 3.685 30 20 CHED C=C(C)CN(CC)C(=O)CSCC/C=C\CC 342737172 NIHPQIQOFWIKMK-FPLPWBNLSA-N 255.427 3.501 30 20 CHED N#Cc1cc(F)ccc1N1CCC=C(c2ccco2)C1 343221228 KNKWFONZNZATSF-UHFFFAOYSA-N 268.291 3.584 30 20 CHED N#CCc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1 343537330 MJJDCDOADFLMDV-SJORKVTESA-N 286.444 3.613 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc3[nH]c(C)cc3c2)n1 343800874 CDGRGSFWODINDR-UHFFFAOYSA-N 290.370 3.972 30 20 CHED N#C[C@@H](NC(=O)c1csc(Cl)c1)c1ccccc1F 344080949 UMKXVVFLSVOYTE-LLVKDONJSA-N 294.738 3.535 30 20 CHED CSc1ccc(F)cc1CNCc1ccc(C#N)s1 344715954 PPRWCUOMMIXARP-UHFFFAOYSA-N 292.404 3.771 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H](C)C1 345056341 HVHLVNYOEWZHHU-WMLDXEAASA-N 284.403 3.731 30 20 CHED CC[C@H](C)N(C)C(=O)c1cn(CCCC#N)c2ccccc12 345869939 AFKUWTNIQKIIKY-AWEZNQCLSA-N 297.402 3.816 30 20 CHED Cc1ccc(F)cc1-c1noc(-c2cc(C#N)oc2C)n1 345948054 WFQMSELUOOZROV-UHFFFAOYSA-N 283.262 3.624 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc([N+](=O)[O-])cc1 348208793 AGVDJLIGOVVAEJ-LBPRGKRZSA-N 275.352 3.575 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(OC(F)F)c(F)c1 349109646 OBOHQJAWWOUPRY-HNQUOIGGSA-N 290.244 3.864 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCSc3ccccc32)C1 349340387 GYIAVVIAFIOQLR-DYEKYZERSA-N 258.390 3.505 30 20 CHED N#C[C@@H]1CCC[C@H]1NCc1cccc(-c2ccncc2)c1 350359525 SISCSHMRYOJFDA-ZWKOTPCHSA-N 277.371 3.530 30 20 CHED C[C@H](c1ncc(-c2ccccc2)o1)N1CCC(F)(C#N)CC1 352484283 NJRLJLLUIMHNHS-CYBMUJFWSA-N 299.349 3.730 30 20 CHED CC1(C)C[C@@H]1c1noc(/C=C/c2cccc(C#N)c2)n1 355898937 VTATUFCQVVNZBE-KTRBRXNASA-N 265.316 3.625 30 20 CHED C=CCCC1(C(=O)N2CCS[C@H]3CCCC[C@H]32)CC1 356377953 AAENETZVDSNTNP-KGLIPLIRSA-N 279.449 3.619 30 20 CHED N#CC[C@@H](CC(=O)Nc1ccc(F)cc1O)c1ccccc1 356568884 VHYVLFXXHIGATN-ZDUSSCGKSA-N 298.317 3.557 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCCc3c(O)cccc32)CC1 357062099 VTWGJMRFUSUFCQ-HNNXBMFYSA-N 285.387 3.632 30 20 CHED CC[C@@H](C)c1nnc(N(CCC#N)CCC(C)C)n1CC 358600571 SDIJXCYGTMHDQD-CQSZACIVSA-N 291.443 3.578 30 20 CHED C=CCCCC(=O)N1CC2(CCC2)c2c(F)cccc21 359174395 WWPOEANYMZSODK-UHFFFAOYSA-N 273.351 3.950 30 20 CHED C=C1CCN(Cc2ccc(Cl)cc2OC)CC1 361275394 WSCISSNWQPBNHX-UHFFFAOYSA-N 251.757 3.501 30 20 CHED Cc1ccc2c(c1)CCN(Cc1cccc(C#N)c1F)C2 361849227 MLKKARGJBNAHIY-UHFFFAOYSA-N 280.346 3.564 30 20 CHED N#Cc1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1 365529875 WHTJOIIANOBKBJ-MRXNPFEDSA-N 296.757 3.799 30 20 CHED C=CCCCCCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 388513313 PDUMTNHDCVPKCW-XHSDSOJGSA-N 265.441 3.916 30 20 CHED C=CCCCCNCc1csc(Br)c1 389210565 AEEAZAURLMGXIH-UHFFFAOYSA-N 274.227 3.957 30 20 CHED C=C(Br)CN[C@@](C)(CC)c1ccccc1 389913298 KALYCTXEEZYQAW-ZDUSSCGKSA-N 268.198 3.810 30 20 CHED CC[C@H](C)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 409445852 CAECVTFUBCFEIP-XIRDDKMYSA-N 256.393 3.804 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(C#N)cc2)c1 410047995 RWPOVJPPGCZKRX-AWEZNQCLSA-N 278.355 3.666 30 20 CHED CCCC[C@H](CC)CC(=O)N(C)[C@H](C#N)CCC 410826559 IODZVOLJCFATGQ-KBPBESRZSA-N 252.402 3.744 30 20 CHED CC#CCCCC(=O)Nc1ccc(Cl)cc1CC#N 410967990 MZYMRRSNLPHSQA-UHFFFAOYSA-N 274.751 3.538 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(CC#N)cc1Cl 411011916 FVTJYHWCHFQMJZ-UHFFFAOYSA-N 276.767 3.947 30 20 CHED N#Cc1cc2c(nc1SCc1ccncc1F)CCCC2 412992483 UAESXJTZCVHBMR-UHFFFAOYSA-N 299.374 3.658 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@@H]1C 413834763 MLPLOGGESLDWJJ-HLLBOEOZSA-N 286.419 3.614 30 20 CHED CC(C)(CC#N)CN[C@H]1CCCCc2ccccc21 414168085 QFXRZJSDQDJCHV-INIZCTEOSA-N 256.393 3.984 30 20 CHED CCC1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCC1 416094603 FTHCLUNADMMGKL-MRXNPFEDSA-N 282.387 3.632 30 20 CHED CC(C)(C#N)CCCN1CCSC[C@H]1C1CCC1 419356633 GSUHNLBUTJWFRY-AWEZNQCLSA-N 266.454 3.534 30 20 CHED CCC(CC)[C@@H](C)C(=O)N1CCc2c(C#N)cccc21 421656716 LIWSVWNISDLGAC-GFCCVEGCSA-N 270.376 3.520 30 20 CHED C=CCCCC(=O)Nc1ccc2c(c1)C(=O)CCCC2 421713126 GMHLPRSMMCXOHY-UHFFFAOYSA-N 271.360 3.891 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(Cl)cc1OC 421841608 JBZUJEJBVJZIMJ-GFCCVEGCSA-N 283.799 3.592 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(N2CCCCC2)nc1 424558960 JUFOGNNEDWRFIQ-UHFFFAOYSA-N 287.407 3.613 30 20 CHED C[C@H](Nc1ncc2c(c1C#N)CCC2)c1cccc(F)c1F 425242795 DCMUAHQQVUDMAC-JTQLQIEISA-N 299.324 3.893 30 20 CHED C=CCC(C)(C)c1nc(Cc2c(F)cccc2F)no1 426424317 GQAJBBLYFFPLJI-UHFFFAOYSA-N 278.302 3.792 30 20 CHED CCCC1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 435358018 NPTIXMGFYSUCPN-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCc1cccc(F)c1 436306826 PMMKYPDXVJUPPH-HFTRVMKXSA-N 291.410 3.718 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(F)cc(Cl)c1 439421969 LXUZWPPBYPIWJT-NSHDSACASA-N 270.735 3.955 30 20 CHED Cc1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1F 439677027 ZNVNVLRNLPQQLA-INIZCTEOSA-N 296.345 3.909 30 20 CHED COc1cc(CNc2ccc3nc(C)oc3c2)ccc1C#N 440627919 JHDZNSCFGBRBRC-UHFFFAOYSA-N 293.326 3.629 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 443060946 QGXNAWMWLHRUQN-ZDUSSCGKSA-N 287.281 3.952 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCC(C)(C)C1 443594619 RKYGRSODIOFGOJ-AWEZNQCLSA-N 285.391 3.957 30 20 CHED Cc1cc(CNCc2nc(C(C)C)cs2)ccc1C#N 444004157 WXSIYRAWTWANSG-UHFFFAOYSA-N 285.416 3.736 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccc(C(C)=O)o2)c1 446089957 HKUPLXCSWKUGCJ-UHFFFAOYSA-N 299.326 3.689 30 20 CHED C=C(C)CCNC(=O)[C@H](CC(C)C)c1ccccc1 452716412 HPKFXSLJPLKLFB-MRXNPFEDSA-N 259.393 3.899 30 20 CHED CC[C@H](NC[C@@H](OC)[C@@H](C)CC)c1ccc(C#N)cc1 453271779 UHWKPEFUGYIFQE-RRQGHBQHSA-N 274.408 3.660 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)C1=CCC(C)(C)CC1 454589467 LYNGIKVIKYECJD-UHFFFAOYSA-N 282.387 3.653 30 20 CHED CCN(CCC#N)C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 454950170 TZIRFRQTTHHZRK-LLVKDONJSA-N 298.308 3.728 30 20 CHED C=C(CC)CNC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 455521752 LKHHVOCCCYYMHH-NWDGAFQWSA-N 292.345 3.621 30 20 CHED C[C@H](C(=O)N[C@@]1(C)CCCC[C@@H]1C)c1cccc(C#N)c1 457309809 XWVUXDGDIUYXIJ-DEYYWGMASA-N 284.403 3.747 30 20 CHED CCC1(CC)CCC(NC(=O)N(C)CC(C)(C)C#N)CC1 458686911 IEEABIIBIRLELY-UHFFFAOYSA-N 293.455 3.927 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1ccc(F)cc1)C(C)C 458993757 YAVAILCLPDHUAR-UHFFFAOYSA-N 292.398 3.958 30 20 CHED CC(C)Sc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1 459485119 SZNSZODRGAHJPS-GDBMZVCRSA-N 274.433 3.969 30 20 CHED C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC 460312581 RAOPEIVKUBWYCI-UHFFFAOYSA-N 284.407 3.676 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCC1(C)C 460567332 XANFQRGPNXNUKH-CYBMUJFWSA-N 276.428 3.747 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 464759604 ZLQPKTKXCPBIBW-YJBOKZPZSA-N 294.398 3.958 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](CC)c1ccc(F)cc1 466540426 OJCIVKTVWSOSKU-GJZGRUSLSA-N 263.356 3.790 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 466642270 AYMPZCDAUMGGIG-ZIAGYGMSSA-N 297.320 3.843 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)c2ncccc12 468111267 QOFWNLFFQCGRKE-KRWDZBQOSA-N 284.359 3.784 30 20 CHED C=CC1CCN(C(=O)NCC(CC)(CC)CC)CC1 469418197 OBRZNJTZSPQAOF-UHFFFAOYSA-N 266.429 3.810 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(C(F)(F)F)cc1 477028048 ZHARPXPLNHIFKZ-UHFFFAOYSA-N 289.322 3.953 30 20 CHED C=C(C)CN(C)C(=O)CC(C)(C)c1ccc(C)cc1 479316764 RECXNJFFGOANDQ-UHFFFAOYSA-N 259.393 3.697 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)cc1F 483962467 YTKVOWUHWKVNIR-MRXNPFEDSA-N 298.336 3.826 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 485887080 FHLVPPLGXCOXSQ-KURKYZTESA-N 280.415 3.948 30 20 CHED C/C=C/c1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc1 497412549 RFUXCPQZVBNZQQ-OOPCZODUSA-N 283.375 3.876 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 497433377 GWKYMAFBVQIAMT-NXEZZACHSA-N 296.823 3.513 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C(C)C)nc1C 497938455 QOZQNAOKDXGOMC-ZDUSSCGKSA-N 274.408 3.988 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cccc2c(=O)n(C)ccc12 502309654 MFVWIRKYGPSGRF-CHWSQXEVSA-N 270.376 3.551 30 20 CHED CC1CCC(CNC(=O)c2cc(C#N)ccc2Cl)CC1 506767909 QWHBLROQCYUMGZ-UHFFFAOYSA-N 290.794 3.768 30 20 CHED COc1cc(C#N)ccc1COc1c(F)cccc1Cl 507356852 ZKLLEOGTLFVUOZ-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 508766028 VUGKYEQRQVQBGA-CVEARBPZSA-N 284.403 3.769 30 20 CHED CCN(C(=O)[C@H]1CC12CCCCC2)c1ccc(C#N)cc1 510411723 GLJBDGQEDPEXID-MRXNPFEDSA-N 282.387 3.882 30 20 CHED C=CCN(C/C(C)=C\c1ccccc1COC)C1CC1 512464405 XIYJVEMPBIXACP-QINSGFPZSA-N 271.404 3.887 30 20 CHED C=CCOc1ccc(CN[C@H]2CCO[C@H](C(C)C)C2)cc1 512573854 OMWCOXJUAFVAPC-WMZOPIPTSA-N 289.419 3.545 30 20 CHED C=CCc1cc(CN(C)CC2CCCC2)cc(OC)c1O 512676592 CAWIERISVQXZMJ-UHFFFAOYSA-N 289.419 3.751 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1C(F)F 513188582 QADPIFHJGSVKGE-CQSZACIVSA-N 278.346 3.717 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(C#N)s1 519838104 IUEGSZNNWLTZQK-RYUDHWBXSA-N 290.432 3.907 30 20 CHED C=CCCC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 522572219 ZMPYQJNIPMDNGE-OAHLLOKOSA-N 263.356 3.995 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2scnc2c1 528344793 LEJNENQCLGNMKW-UHFFFAOYSA-N 273.361 3.565 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2c2ccccc2Cl)n1 530665238 TWZURJLXUXYSJJ-OAHLLOKOSA-N 283.762 3.948 30 20 CHED CC(C)N(Cc1ccc(F)c(C#N)c1)Cc1ccccn1 531580248 BDIQNLLABHYNPI-UHFFFAOYSA-N 283.350 3.503 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](Nc1nccnc1C#N)CCC2 534980632 ZUACGZHPJQUAKI-INIZCTEOSA-N 292.386 3.961 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccccc1CCC(F)(F)F 535449838 GKZDRKQBFFRJER-AWEZNQCLSA-N 298.308 3.604 30 20 CHED C=CCCCCCN(C)[C@@H](C)c1ccc(C(=O)OC)o1 538150169 MNKVXYZFCZCJIY-ZDUSSCGKSA-N 279.380 3.805 30 20 CHED Cc1ccccc1NC(=O)c1ccc(Cl)c(C#N)c1 538268067 ATTYZMRNLNMISP-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1ccc(F)cc1)C1CCCC1 539293963 FZQQGTCDPYGRRE-RDTXWAMCSA-N 291.410 3.831 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(SCC)cc1 539296477 BIMJVFYAEXGBMG-KBPBESRZSA-N 279.449 3.634 30 20 CHED CN(CCC(C)(C)C#N)Cc1ccc(Cl)c(F)c1 539612601 AQMJBVHAOHHOIC-UHFFFAOYSA-N 268.763 3.851 30 20 CHED C=CCC[C@@H](CCC)NCCNc1cccc(C)n1 540222830 WFSUIJFQSPUEQA-OAHLLOKOSA-N 261.413 3.526 30 20 CHED C=CCC[C@H](CCC)NCC[C@H]1CCO[C@@H](C)C1 542488212 CLXVAPSATGESEJ-JYJNAYRXSA-N 253.430 3.916 30 20 CHED C=CCN(Cc1ccc2cc(OC)ccc2c1)C1CC1 542692023 WHDVFAQATMYVGG-UHFFFAOYSA-N 267.372 3.999 30 20 CHED Cc1ccnc(N2CCC[C@@H]2/C=C/c2ccccc2)c1C#N 544142106 LWMBOKRYKHOARL-OAGJVSPASA-N 289.382 3.944 30 20 CHED C=CCC[C@@H](C)Nc1ccc(C)c(-c2nnnn2C2CC2)c1 544600244 IZWPLDAHCOZBIS-CYBMUJFWSA-N 297.406 3.750 30 20 CHED N#CC1(c2ccccn2)CCN([C@H]2C=CCCCCC2)CC1 549673791 YBYCNHILAIFKFP-KRWDZBQOSA-N 295.430 3.828 30 20 CHED C=CCn1cccc1C(=O)N1C[C@H](C)C[C@H]1c1ccccc1 553337753 UGYKMMJCEHMERW-QAPCUYQASA-N 294.398 3.897 30 20 CHED C=CCCCN(C)c1nnc(-c2sccc2C)n1CC 555097275 LTWFGYCBBBZQPQ-UHFFFAOYSA-N 290.436 3.737 30 20 CHED C=CC1CCN(c2nnc(-c3ccccc3C)n2CC)CC1 555105622 UKBHOAAIZWZSSE-UHFFFAOYSA-N 296.418 3.676 30 20 CHED C=CCC1(CN[C@H](CC)C2CCOCC2)CCCC1 556440477 CLNAGVJCIXLLHM-MRXNPFEDSA-N 265.441 3.918 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)C1CC1 556853452 SNEZUGIVGPXKLN-PBHICJAKSA-N 286.419 3.614 30 20 CHED CCCn1ncc(NCc2ccc(C#N)s2)c1C1CC1 560152765 XJQFWSJTMBMXRG-UHFFFAOYSA-N 286.404 3.716 30 20 CHED Cc1nc(N2CCC[C@H]2c2ccccn2)c(Cl)cc1C#N 562272974 PFCJBEBHIUDKPD-HNNXBMFYSA-N 298.777 3.652 30 20 CHED N#Cc1ccc(Oc2cccc(NCC3(O)CCC3)c2)cc1 569594825 DHTDHLRIEGKDTE-UHFFFAOYSA-N 294.354 3.677 30 20 CHED CCc1cccc2c(CCNc3cccnc3C#N)c[nH]c12 573770248 ZNXLXYVAMULZCI-UHFFFAOYSA-N 290.370 3.652 30 20 CHED COc1cc(CNc2cccc3cc[nH]c23)ccc1C#N 574955317 MSKYPTNRHGQPLG-UHFFFAOYSA-N 277.327 3.660 30 20 CHED Cc1cc(C[S@](=O)CCC(C)(C)C#N)c(C)s1 578477791 DXCMQJKJQPKTER-QGZVFWFLSA-N 269.435 3.554 30 20 CHED N#Cc1nccc(N[C@H](c2ccccc2F)C2CCCC2)n1 579004190 GBBYKHXEYGBIKN-KRWDZBQOSA-N 296.349 3.831 30 20 CHED CCc1c(C)sc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1C#N 581653048 GIAROKPNASCTAL-NTZNESFSSA-N 288.416 3.865 30 20 CHED CC[C@H](CC#N)N[C@H](C)c1ncc(-c2ccccc2)o1 583639823 SCEQQQGFPZLDHL-TZMCWYRMSA-N 269.348 3.684 30 20 CHED CC(C)C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)CCO1 584868922 OYWOKTRXLFNYLE-ZHALLVOQSA-N 298.430 3.729 30 20 CHED COCc1ccc(N=Cc2cc(Cl)ccc2O)cc1 588595783 MENFWHGINOPWCV-UHFFFAOYSA-N 275.735 3.943 30 20 CHED CCCCN(C)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 589343980 DIDYSKNAMIOVCZ-DNVCBOLYSA-N 299.462 3.646 30 20 CHED CC1(C)[C@H]2CC[C@H](NC(=O)Nc3cccc(CC#N)c3)[C@H]1C2 592262631 OZAZYKFFQVQXCH-IMJJTQAJSA-N 297.402 3.699 30 20 CHED Cc1cc(-c2ccc(CN(C)C)c(F)c2)ccc1CC#N 592987122 PMBYZLNUBWCBLI-UHFFFAOYSA-N 282.362 3.929 30 20 CHED CC(C)O[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 593055742 OFUWXEWCGDFVRW-RHSMWYFYSA-N 272.392 3.509 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(C)nc1C 595059447 OKODNWDANMWKFE-ZDUSSCGKSA-N 264.438 3.658 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(Cl)cn1 595059865 QNUZOGWWGNMAEU-NSHDSACASA-N 270.829 3.695 30 20 CHED COc1cccc(CSCC2(C#N)CC2)c1Cl 596379653 GQBKZAFLGYOXKG-UHFFFAOYSA-N 267.781 3.886 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCc2ccccc21 596704401 ANXIUFMPRXJZPX-KRWDZBQOSA-N 296.414 3.996 30 20 CHED Cc1cccc2[nH]c(CN3CCC[C@@](C)(C#N)C3)cc12 597080886 VRDSXGDKDMSUOQ-KRWDZBQOSA-N 267.376 3.602 30 20 CHED N#CC1(CC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCCCC1 597300575 HEQXNWXWDHHWMG-HRCADAONSA-N 288.435 3.936 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)CC1(C#N)CCCCC1 597754930 JTHKFUAURBHZKA-CYBMUJFWSA-N 264.413 3.791 30 20 CHED N#CC1(N(C(=O)C2[C@H]3CCCCCC[C@H]23)C2CC2)CCC1 598833838 MIUVYMZZCGGJDC-GJZGRUSLSA-N 286.419 3.640 30 20 CHED Cc1coc(C)c1C(=O)N(c1ccc(C#N)cc1)C1CCC1 598881215 CSJSGHXSVHYWLH-UHFFFAOYSA-N 294.354 3.967 30 20 CHED N#Cc1ccc(N(C(=O)C2[C@@H]3CCCC[C@@H]23)C2CCC2)cc1 598887484 VGXGZRKUPWOTFO-IAGOWNOFSA-N 294.398 3.880 30 20 CHED COc1cc(CNc2cc(F)cc(C#N)c2)ccc1Cl 600855488 FGWIVPHRRCOHRZ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@@H](CCC#N)CN(Cc1cccc(F)c1)C1CC1 602442389 YEGMYZJYWQYYBP-ZDUSSCGKSA-N 260.356 3.730 30 20 CHED C[C@@H](CCC#N)CNc1ccc(SCCCO)cc1 602494709 IOAQNFSOJMYWSV-ZDUSSCGKSA-N 278.421 3.513 30 20 CHED Cc1ccc(SCCNC[C@H](C)CCC#N)cc1 602505286 WWJNECBUUCTRRG-CQSZACIVSA-N 262.422 3.617 30 20 CHED CCC[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccn1 609199388 FMOHPUJVMNAGCO-MRXNPFEDSA-N 294.358 3.616 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C(C)(C)c1ccc(Cl)cc1 611250403 CTQOJWDVINVAGK-AWEZNQCLSA-N 292.810 3.672 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCc3ccsc3C2)n1 613430713 GFCHQPJAERLVQA-UHFFFAOYSA-N 297.427 3.875 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCCCC(C)C 615672412 GBQWDCFJMFHFHQ-UHFFFAOYSA-N 292.398 3.960 30 20 CHED C=CCC1(NC(=O)Cc2ccc(CC)cn2)CCCCC1 615960322 BSNWDRNQPFZFQS-UHFFFAOYSA-N 286.419 3.582 30 20 CHED N#Cc1ccc(CNc2cccc3ccncc23)cc1F 616273816 PLGJKCDTNFFCKP-UHFFFAOYSA-N 277.302 3.858 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H]1C[C@H]2CC[C@H]1C2 618742288 LXJXAKLQPCRQLC-ZKNMIIFVSA-N 266.388 3.571 30 20 CHED Cc1cccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1C 618784823 VHEAMNBNLKHUQZ-SFHVURJKSA-N 290.366 3.592 30 20 CHED CC1=C(C)CN(c2nc(C(C)(C)C)ccc2C#N)CC1 619505749 GBNZJZFNUHJFCH-UHFFFAOYSA-N 269.392 3.797 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Cc1ccccc1C 626851006 LHHXHPLEHMDFBO-ZBFHGGJFSA-N 259.393 3.645 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc1 641993264 HRANNBHTCCVRCY-ZDUSSCGKSA-N 275.392 3.758 30 20 CHED C=CCC1(CN[C@H]2CCO[C@H](CC)C2)CCCC1 648788853 AYPSJTYNUGDNQQ-LSDHHAIUSA-N 251.414 3.670 30 20 CHED C=CCOCCN[C@H](C)c1ccc(Oc2ccccc2)cn1 651322016 VLFZNJAMXLMOLF-OAHLLOKOSA-N 298.386 3.727 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(C)C2 660990894 JHGFAKJQRJFPHW-ILXRZTDVSA-N 264.413 3.704 30 20 CHED C=CCOCCCN1CC[C@@](F)(c2cccc(Cl)c2)C1 669942925 JACRWRUZPHYYAL-INIZCTEOSA-N 297.801 3.803 30 20 CHED C=C(CNC(=O)[C@@H](C)c1cccc(F)c1)c1ccccc1 672481165 MRSGWGRPFYQIPM-AWEZNQCLSA-N 283.346 3.759 30 20 CHED C=CCCCCNCc1ncccc1C(F)(F)F 681134969 PKENOOPJXXUBBR-UHFFFAOYSA-N 258.287 3.546 30 20 CHED Cc1nc(NC2CC3(CCC3)C2)c(Cl)cc1C#N 700154997 HHSTXTULTLFYBM-UHFFFAOYSA-N 261.756 3.660 30 20 CHED CCCC(=NNc1nc(C)cc(O)n1)C1CCCCC1 727779408 ASVKTEMHXZRHRM-UHFFFAOYSA-N 276.384 3.639 30 20 CHED CC1(c2ccccc2)CC(/N=C\c2cccc(O)c2O)C1 729937065 LEPVDTRSOZRHSB-UNOMPAQXSA-N 281.355 3.637 30 20 CHED Cc1ccc(OCCN(CCC#N)CC(C)(C)C)cc1 731847426 ITLAXZLNVAKQGI-UHFFFAOYSA-N 274.408 3.636 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NNc1ccccn1 733201556 MJZRXZGSMYOHAK-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CCCCC)C(C)(C)C)cn1 734346634 VGDITJFMFGJWCT-INIZCTEOSA-N 286.419 3.788 30 20 CHED C#CCOc1cccc(OC(=O)CCSCCCC)c1 739562220 AIPYHKXMBDISRV-UHFFFAOYSA-N 292.400 3.527 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2C[C@@H]2C2CCCCC2)c1 741465769 YFXDNYOPPKVKAA-SBSYXSKNSA-N 288.347 3.688 30 20 CHED C=C(C)CCOC(=O)COc1cccc(Cl)c1C 744303168 PJIGLPJHSCSIBR-UHFFFAOYSA-N 268.740 3.537 30 20 CHED Cc1cc(C)c(NN=Cc2ccc(OCC#N)cc2)c(C)c1 744743184 PEFGOPUVXPSTFC-UHFFFAOYSA-N 293.370 3.960 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)NC2(C#N)CCC2)cc1 745382906 LEMVJJDRWILYFR-YFHOEESVSA-N 282.387 3.560 30 20 CHED C=CCN(C(=O)c1sc(C(C)(C)C)nc1C)C(C)C 747124045 PYZPSDIFEGGCNK-UHFFFAOYSA-N 280.437 3.786 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNc1cncc(Cl)n1 748251150 RWNLCMPMHXPNOB-SECBINFHSA-N 266.776 3.744 30 20 CHED C=C(Br)CNC(=O)N[C@@H](CCC)CCCC 748958724 GMTMCEFSQMJVQJ-NSHDSACASA-N 291.233 3.553 30 20 CHED Cc1cccc2ncc(/C=C/C(=O)c3ccc(F)c(F)c3)n12 748997197 AVAKJWKJFYOWHE-SOFGYWHQSA-N 298.292 3.817 30 20 CHED C=CCN(C(=O)NCC(C)(C)C1CCCC1)C(C)C 753669605 FHCZUHKRKKXHDI-UHFFFAOYSA-N 266.429 3.809 30 20 CHED Cc1ncccc1C=NOc1ccccc1C(F)(F)F 754708878 GJHQUKFMKCQWFK-UHFFFAOYSA-N 280.249 3.822 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@@](C)(C#N)CC)cc1 755275800 WNNWJWYEXFFYSA-MLGOLLRUSA-N 258.365 3.622 30 20 CHED CCCCC[C@@H](C(=O)Nc1ccc(C#N)cn1)C(C)C 755287766 MDVYAQLRKXWQSL-CQSZACIVSA-N 273.380 3.744 30 20 CHED Fc1ccccc1NN=Cc1c[nH]nc1-c1ccccc1F 755629541 XBGLQARQLFZORE-UHFFFAOYSA-N 298.296 3.801 30 20 CHED C=C(C)[C@H](C)OC(=O)/C=C/c1ccc2[nH]ccc2c1 755998996 BYZGMYQYMCGYOZ-PZBABLGHSA-N 255.317 3.689 30 20 CHED C#CC[C@@H](NC(=O)N(CC)Cc1ccoc1)c1ccccc1 757059828 WLSBRRCEJIINPG-QGZVFWFLSA-N 296.370 3.576 30 20 CHED C#CCCCCNC(=S)Nc1cccc(Cl)c1C 758432700 ALPTWENXTYEXFI-UHFFFAOYSA-N 280.824 3.738 30 20 CHED C#CCCCCNC(=O)C1(c2ccccc2F)CCCC1 758627109 RKUJAVGESBNFLN-UHFFFAOYSA-N 287.378 3.557 30 20 CHED N#Cc1cccc(NN=Cc2cnc(C3CCC3)s2)c1 760240906 XZYWQYPFTLTDGZ-UHFFFAOYSA-N 282.372 3.728 30 20 CHED CCCC1(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 761013245 RLSZRDPLPVCROA-CQSZACIVSA-N 278.355 3.991 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(F)cc2OC)C12CCC2 761886449 ZTKXRQRKDINPQR-OAHLLOKOSA-N 292.354 3.581 30 20 CHED CCCCCCCc1nc(C2(OC)CCCC2)no1 763356330 CEUMAILOGWIZTH-UHFFFAOYSA-N 266.385 3.998 30 20 CHED CCC(=NNc1ncnc2ccsc12)c1ccccc1 764836411 ZXBPJWPIKKFJLZ-UHFFFAOYSA-N 282.372 3.918 30 20 CHED FC(F)C1CC(=NNc2cccc(Br)c2)C1 766017120 DWMITUPBKMDNRU-UHFFFAOYSA-N 289.123 3.892 30 20 CHED C#CCOC(=O)/C(C)=C/c1c(Cl)cccc1Cl 766797139 ZGGSAMHBAPAZPQ-CMDGGOBGSA-N 269.127 3.573 30 20 CHED CCCCCCCCS(=O)(=O)CCC(F)(F)F 766897616 YKIHMDVAEQVELU-UHFFFAOYSA-N 274.348 3.714 30 20 CHED COc1ccc(NN=CC2CCCCCC2)c([N+](=O)[O-])c1 767801763 UBHLGFFSTKVWHE-UHFFFAOYSA-N 291.351 3.972 30 20 CHED C[C@H](OC(=O)c1cccc2ccsc12)C(C)(C)C#N 768003878 RMOQQLGLAFQFOD-JTQLQIEISA-N 273.357 3.996 30 20 CHED Cc1ccc2c(c1)C(=NNc1cc(C#N)cc(Cl)n1)CC2 768374873 MKKVFWYPMYBKGZ-UHFFFAOYSA-N 296.761 3.678 30 20 CHED CCCCCCCCOC(=O)C1SCCS1 768583794 ZVWVFSWPPKAZKO-UHFFFAOYSA-N 262.440 3.696 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1csc(C(C)C)n1 771744848 OBDFJNUATDQUOP-WAYWQWQTSA-N 276.361 3.767 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cscc1Cl 771871950 NNFJOHKJBNGTFE-UHFFFAOYSA-N 281.724 3.756 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1cncc(C)c1 773124694 KQWIIBKNSSQJMK-OAHLLOKOSA-N 259.397 3.672 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H]1CCCC1(C)C 774226459 KQPQKMUCIZHLJI-OAHLLOKOSA-N 271.360 3.736 30 20 CHED C(=NOC1CCOCC1)c1ccc(Oc2ccccc2)o1 774451598 AUHPZJQOQAEUSD-UHFFFAOYSA-N 287.315 3.601 30 20 CHED COc1ccc(C=NOC2CCCC2)cc1OC(F)F 774602476 KMVWKYVWNAIDQC-UHFFFAOYSA-N 285.290 3.590 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1C[C@]1(C)C(C)C)c1ccccc1 775458265 AUDSPOGDINXWOC-XYJFISCASA-N 269.388 3.549 30 20 CHED C=C(C)CCOC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 776093626 GMGPVXPFYNJSFW-GFCCVEGCSA-N 289.158 3.536 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2CC[C@@H](C)C2)cc1 776707489 ZVVNWGSKLQDNEJ-CABCVRRESA-N 270.376 3.678 30 20 CHED CCCCCCNC(=O)c1ccc(C#N)c(Cl)c1 777404364 YYQDWFPERKAHIF-UHFFFAOYSA-N 264.756 3.522 30 20 CHED C[C@H]1CC(Nc2ccc(F)cc2OCC#N)C[C@H](C)C1 779608527 CFOLZHIQTFELHY-VXGBXAGGSA-N 276.355 3.965 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)OCc1ccccc1 779627008 LUKIGYKPVQBOHU-AWEZNQCLSA-N 276.380 3.504 30 20 CHED CC(=NNc1ccccc1Cl)[C@]1(C)CCCO1 782113662 PJXLKAAZTXONLR-ZDUSSCGKSA-N 252.745 3.697 30 20 CHED CC#CCCCC(=O)OCc1cc(F)ccc1Cl 782315881 WZIXMZWEDFCWRG-UHFFFAOYSA-N 268.715 3.716 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCCc1ccsc1 783060680 IZQLRGYXSKIEDD-UHFFFAOYSA-N 284.384 3.890 30 20 CHED C[C@H]1CCC(=NNc2nncc3ccccc23)[C@H](C)C1 783793495 UWFCFCYDKJEALW-NWDGAFQWSA-N 268.364 3.854 30 20 CHED C=CCCN(C)C(=O)/C=C(\C)c1ccccc1Cl 786223006 IXZXFKSAUJFFBZ-VAWYXSNFSA-N 263.768 3.778 30 20 CHED C/C(C=NN[C@H]1C[C@H]2CC[C@H]1C2)=C/c1cccc([N+](=O)[O-])c1 787163587 WFWIDTYMFYJZBO-FRURRNSGSA-N 299.374 3.762 30 20 CHED CC(C)(C)C1CCN(N=Cc2c[nH]c3ncccc23)CC1 790179246 UQFOKENEGVUOHG-UHFFFAOYSA-N 284.407 3.655 30 20 CHED CCOc1ccc(C=NOCCCC2CCOCC2)cc1 790425846 DIZDYYUZKICLII-UHFFFAOYSA-N 291.391 3.643 30 20 CHED N#CC1(OC(=O)c2ccc(C3CCC3)cc2)CCC1 791824175 PNWGHUNHAIGAJZ-UHFFFAOYSA-N 255.317 3.557 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C(=O)N(C)C)cc2)cc1 792924538 DGUNIHHREJTCOP-JYRVWZFOSA-N 293.366 3.593 30 20 CHED COc1cc(C=NNCC2(C)CCCC2)ccc1SC 793089803 MIYINDVMJNPODR-UHFFFAOYSA-N 292.448 3.921 30 20 CHED CC(C)C[C@H]1CCCC(=NNCCOCC(F)(F)F)C1 794526916 YQSZTNBLHHZUQQ-GFCCVEGCSA-N 294.361 3.747 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccnc(F)c2)c(C)c1 794722721 TVRMINFZLGSWFS-AATRIKPKSA-N 255.292 3.734 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2C(C)C)c(C)c1 794932646 AZLAYILEZKDVFY-SOFGYWHQSA-N 268.360 3.977 30 20 CHED CCC(=NN(C)CCOC)c1ccc(Cl)c(Cl)c1 794963178 NQPLTBVKEXDHSF-UHFFFAOYSA-N 289.206 3.686 30 20 CHED CC(=NNc1ncccc1F)c1ccc2ccccc2c1O 794994120 SMBMZPGDDPKNRJ-UHFFFAOYSA-N 295.317 3.916 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@@H]2CCC(C)(C)C2)c1 795026768 OQZGJWPEYMSKPP-OAHLLOKOSA-N 286.444 3.875 30 20 CHED CC(C)(C#N)CCCOC(=O)c1c[nH]c(C(F)(F)F)c1 796282294 MIVZDIUXQRQJKU-UHFFFAOYSA-N 288.269 3.520 30 20 CHED Cc1noc(C2CCC(=NN[C@H]3CCCC3(C)C)CC2)n1 797403774 YSWOUCJRHUUOSD-PYMCNQPYSA-N 290.411 3.560 30 20 CHED C#CCN(Cc1cc(C)nc(Cl)c1)C1CCCCC1 797590256 QKURWNNAOYQGCP-UHFFFAOYSA-N 276.811 3.811 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1C/N=C/c1c(O)ccc2ccccc12 797785065 SLGSOHSGDUZPGA-OAPRFOFOSA-N 295.382 3.946 30 20 CHED C#C[C@H](NC(=O)N[C@H](CCC=C)c1ccccc1)C(C)C 798544708 RJUCPPJFLQKRRJ-DLBZAZTESA-N 284.403 3.651 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1cn(C(C)C)nc1C 798941909 LASWYTFRDTZFPZ-UHFFFAOYSA-N 299.393 3.547 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(C)c(C#N)c2)c1 799320198 ZXMPVYQZKOQCAJ-UHFFFAOYSA-N 292.338 3.684 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)c1cc2ccccc2n1CC#N 799484733 CGAJGUOUADHWJA-INIZCTEOSA-N 296.370 3.900 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C\c1ccc(C#N)cc1 799897611 QWYHICLISUHBHD-DHDCSXOGSA-N 274.323 3.668 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)oc1C 799897861 SYDIHOPLJIBKGR-ONEGZZNKSA-N 278.254 3.776 30 20 CHED C[C@H]1CC[C@H](C=NNCc2cccc(Cl)c2)C1 800814008 OEROTWNJFXZEFM-AAEUAGOBSA-N 250.773 3.852 30 20 CHED C[C@H](C#N)OCCN(c1ccsc1)C1CCCCC1 801951433 FNEVCIKOFTVSOE-CYBMUJFWSA-N 278.421 3.816 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1sccc1Cl 803771469 HBAYIOPGTUTTOV-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C#C[C@H](NC(=O)[C@H](C)C(C)C)c1ccc(Cl)cc1F 804419648 SDGOXTZBZPDNOB-YGRLFVJLSA-N 281.758 3.562 30 20 CHED C=CCC[C@@H](C)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 806173835 DYLDVWZXPNQKSW-BXUZGUMPSA-N 287.325 3.683 30 20 CHED COc1ccc(/C=C\C(=O)c2cccs2)c(C)c1OC 806569043 INQYPZIKOWBZOJ-VURMDHGXSA-N 288.368 3.970 30 20 CHED C[C@H]1CC(=NNc2nccnc2C2CCC2)CC[C@H]1C 807990730 AWADXKTTWUIFIT-NEPJUHHUSA-N 272.396 3.968 30 20 CHED C#CCCCc1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 809342331 STLRYZYJBBNETK-UHFFFAOYSA-N 279.343 3.791 30 20 CHED Cc1cccc(C)c1CNC(=O)Nc1ccc(C#N)c(F)c1 810255928 UKNYQYHPYVXMKT-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 811994820 HKZBANBVYKDDHN-RHSMWYFYSA-N 286.419 3.609 30 20 CHED c1ccc(CN2C[C@@H]3CCCC(=NOC4CCC4)[C@H]3C2)cc1 812237201 PATNFJLQQNQWNC-WMZOPIPTSA-N 298.430 3.844 30 20 CHED COc1cccc(O)c1/C=N\CCc1c[nH]c2ccccc12 812390894 NOWWTGVSPBPJBL-UNOMPAQXSA-N 294.354 3.544 30 20 CHED Cc1cccc(NC(=S)NN=C2CC[C@H]2C2CC2)c1C 814707138 KYKOSGRVVQQPOP-ZDUSSCGKSA-N 287.432 3.766 30 20 CHED CCOC1CC(=NOc2ccccc2C(F)(F)F)C1 814888432 ZPGURRYZMKLNLM-UHFFFAOYSA-N 273.254 3.639 30 20 CHED OCCC[C@H]1CCCCC1=NOC1CCCCC1 814910604 YUCXFANMDVZROY-CYBMUJFWSA-N 253.386 3.654 30 20 CHED Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C#N)cc1 815560679 MXGKTNZSHFYIAK-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=CCC(C)(C)c1noc(-c2nc(C)n3ccccc23)n1 815704257 BVZUZGJPZVXCAQ-UHFFFAOYSA-N 282.347 3.546 30 20 CHED CC(CCCCCCC(=O)O)=NN[C@@H](C)c1ccncc1 819819202 UANOPJOSNSIGJP-AWEZNQCLSA-N 291.395 3.533 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)N1CCC[C@@H](C#N)C1 830065845 MRDCPEVZIWSXLI-AWEZNQCLSA-N 284.403 3.651 30 20 CHED N#Cc1ccsc1C(=O)OCC1CCC(F)(F)CC1 837485774 QVRDGHXQNWPWST-UHFFFAOYSA-N 285.315 3.602 30 20 CHED C=CCCCC(=O)OCc1ccn(CCc2ccccc2)n1 837557596 HDIRISYUFIXDKW-UHFFFAOYSA-N 298.386 3.525 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@]1(C)CC=CCC1 839013564 PBTYBVPHOUMZEI-SUMWQHHRSA-N 299.374 3.598 30 20 CHED Cc1cc(C)cc(NN=Cc2c[nH]nc2-c2cccnc2)c1 839401712 USNLESNDZNYHPB-UHFFFAOYSA-N 291.358 3.535 30 20 CHED CCCCC(=O)Nc1cc2ccccc2cc1C#N 839435870 QPOIISYWDAJCTQ-UHFFFAOYSA-N 252.317 3.840 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)Oc2cccc(OCC#N)c2)C1(C)C 841342903 RLMAONXARVGZIB-HZPDHXFCSA-N 299.370 3.733 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(Cl)c(C)c2)CC1 847252657 FDERRODJAOOYLP-UHFFFAOYSA-N 276.767 3.526 30 20 CHED CC[C@](C)(C#N)C(=O)OCCSc1cccc(Cl)c1 849775864 VFTFJTJAQDAXLJ-CQSZACIVSA-N 297.807 3.915 30 20 CHED C#CC[C@@H](OC(=O)CC[C@H]1CC1(Cl)Cl)C(C)C 850874257 WZLWXYASFYIMAD-WDEREUQCSA-N 277.191 3.552 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1CCC(F)(F)CC1 851208183 PFEWJCFUBRXGTF-JTQLQIEISA-N 273.323 3.683 30 20 CHED CCCn1nccc1/C=C1\C(=O)c2ccccc2C1(C)C 853003896 DZQJMSASXFTLSA-FOWTUZBSSA-N 280.371 3.851 30 20 CHED C#Cc1cccnc1NCCCCOCCc1ccccc1 853195135 BDSGASFDSKJTHM-UHFFFAOYSA-N 294.398 3.514 30 20 CHED CC/C(=C/C(=O)N1CCC[C@H](CC#N)C1)c1ccc(C)cc1 855254857 QYMQZKOAIXDYPM-UDLNKVAWSA-N 296.414 3.941 30 20 CHED C/C(=C\C(=O)NCC(C)(C)CCC#N)c1cccs1 857259219 QUMKYKLKIINBQN-ZRDIBKRKSA-N 276.405 3.598 30 20 CHED C1=CC[C@@H](C=NNCCCOCc2ccccc2)CC1 863178406 PIVIRKFIABCURG-MRXNPFEDSA-N 272.392 3.525 30 20 CHED COc1ccc(CN2CCCc3cc(C#N)ccc32)cc1C 864029293 IPSNNNSLERMJRX-UHFFFAOYSA-N 292.382 3.828 30 20 CHED CC(C)(C)Oc1cccc(/C=C2\CCn3nccc3C2=O)c1 865225794 JRDUBOKKQQDVRE-SDNWHVSQSA-N 296.370 3.730 30 20 CHED C=C(C)CN(CCC(C)(C)SC)Cc1ccc(CO)o1 877516980 KAZCKXMJOAFVHU-UHFFFAOYSA-N 297.464 3.682 30 20 CHED C=CC(C)(C)CC(=O)N1CC(C)(C)[C@H]1c1ccncc1 880106766 MKCPZTXCHCLMBR-OAHLLOKOSA-N 272.392 3.593 30 20 CHED C#CCN(CC)C(=O)Nc1cc(Cl)cc(Cl)c1F 880892200 AGPMQICVXVLUIK-UHFFFAOYSA-N 289.137 3.620 30 20 CHED CCCCCCCC(=O)NCCCN1CCCCCC1 884771765 UXINDZQUTBKQIQ-UHFFFAOYSA-N 282.472 3.729 30 20 CHED C=C1CCC(C(=O)Nc2ccc(NC(=O)CC)cc2)CC1 888247937 NMYGRSMVSQAHQU-UHFFFAOYSA-N 286.375 3.720 30 20 CHED N#C[C@@H]1CCCN(c2nc(Cl)cc3cc(F)ccc23)C1 895648786 IJFYKTFJDNMUGK-JTQLQIEISA-N 289.741 3.767 30 20 CHED C=C1CC(c2noc([C@H]3CCC(=O)[C@H](C)C3(C)C)n2)C1 896877208 HZPJGXXAKHZYBG-CMPLNLGQSA-N 274.364 3.612 30 20 CHED Cc1cccc([S@](=O)CCCCC2(C#N)CCC2)c1 899275344 CELKDHGCSBWCCM-LJQANCHMSA-N 275.417 3.967 30 20 CHED C#CCC(C)(C)C(=O)N(O)Cc1cccc2ccccc12 900093931 CAQSGOAEZHRQJC-UHFFFAOYSA-N 281.355 3.607 30 20 CHED CC(=NNc1ccc(F)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1O2 901317700 NHRRUOBMOBBISI-UHIISALHSA-N 282.746 3.834 30 20 CHED COc1cc(NC[C@H](C#N)CCC#N)cc2ccccc12 901643167 HNFBJGNCIJYETE-ZDUSSCGKSA-N 279.343 3.704 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc(Cc2ccncc2)no1 904933493 JIVGSFRWBBXWEJ-INIZCTEOSA-N 291.354 3.763 30 20 CHED N#Cc1sccc1C(=O)N1CCC2(CCCCC2)CC1 906513995 WJGGBAYRDGCZMZ-UHFFFAOYSA-N 288.416 3.806 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 908682951 APPRLIGRFNCYSN-CQSZACIVSA-N 281.739 3.579 30 20 CHED CCCCCCCC(=O)NCc1ccc(OC(C)C)nc1 915711331 OBROIXKSEIRGGO-UHFFFAOYSA-N 292.423 3.846 30 20 CHED CCCCCCCCCCN1C(=O)[C@H]2CCCCN2C1=O 915794113 GAPYIMODOXSQJI-OAHLLOKOSA-N 294.439 3.944 30 20 CHED C=CCN(C(=O)c1c(C)oc2ccc(OC)cc12)C(C)C 916151891 GSVYWZCXKSRKRR-UHFFFAOYSA-N 287.359 3.786 30 20 CHED CCC(=NNc1ccccn1)c1ccc(Cl)cc1 916275962 CMHJDBKZLYFUAC-UHFFFAOYSA-N 259.740 3.961 30 20 CHED C=CCc1ccccc1OC(=O)c1cc(C(C)(C)C)n[nH]1 916858960 BBYINBLDSXWENR-UHFFFAOYSA-N 284.359 3.655 30 20 CHED COCCOc1cccc(C=NNc2cc(C)ccc2C)c1 917540215 KCGYEZWWOAADCD-UHFFFAOYSA-N 298.386 3.775 30 20 CHED CCC/C(C)=C\C(=O)Oc1c(Cl)cc(C#N)cc1OC 920219620 YDIFKRHNLBMHPC-POHAHGRESA-N 293.750 3.872 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)/C=C\c1ccccc1C#N 920230769 XEPDCGPTHSZIQA-JGYUQMGLSA-N 282.387 3.514 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(F)cc2Cl)c1 920942586 LCTWXTBDKAEIQM-UHFFFAOYSA-N 294.669 3.844 30 20 CHED C#CC[C@H](NCc1ccc(OC)cc1C)c1ccccc1 921935203 JOIRSPWJSVTWCR-IBGZPJMESA-N 279.383 3.858 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(N2CCCCC2)cn1 925760253 WCAYLSNIOQKECA-AWEZNQCLSA-N 286.423 3.812 30 20 CHED CCCCC[C@](C)(CC)C(=O)N1CCC[C@@H](C#N)C1 928219336 UJFDDUWJBPRTOS-HOCLYGCPSA-N 264.413 3.745 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(C(C)C)nc1 928617486 HIXYLBYCZJDQQB-UHFFFAOYSA-N 290.407 3.907 30 20 CHED Cc1cc(NC(=O)N2CCC[C@H](C#N)C2)c(Cl)cc1F 931374794 PPHWJFONBKNZCB-SNVBAGLBSA-N 295.745 3.555 30 20 CHED N#C[C@@H]1CCCN([C@H]2CCc3c(Cl)cccc32)C1 932153142 VYXHJYRVBSFKBV-NHYWBVRUSA-N 260.768 3.563 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 935787991 USOYTDGJMPECNS-XNRPHZJLSA-N 275.367 3.790 30 20 CHED C(=NNc1ncccn1)c1ccc(-c2ccccc2)s1 1115833216 PJIFVVZFLBFWKA-UHFFFAOYSA-N 280.356 3.651 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1c(C#N)cccc1C#N 1116798478 CINKCYBOPBTALG-QGZVFWFLSA-N 273.339 3.838 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCC1(C#N)CCC1 1119605845 BFGJRQMBZKXSGZ-STQMWFEESA-N 270.376 3.532 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1[C@@H](O)C(F)(F)F 1120714251 FUDQCNHYMJYRTA-CYBMUJFWSA-N 287.281 3.577 30 20 CHED C=CC[C@H](C)NC(=O)N1Cc2ccccc2[C@@H]1CC 1121876668 VOZNLHPGXCHPCN-WFASDCNBSA-N 258.365 3.628 30 20 CHED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@H]2F)cc1 1125441207 JGTRQQGUDLVCQJ-LSDHHAIUSA-N 296.301 3.647 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3cccc(CC#N)n3)C2)cc1 1256071118 WBFVYBHYUKEMJI-DOTOQJQBSA-N 291.398 3.839 30 20 CHED Cc1ccc(C[C@H]2CCCN([C@H](C)CCC#N)C2)cc1 1307441352 DGCNNJMDGVGFJV-SJLPKXTDSA-N 270.420 3.942 30 20 CHED C=C(Cl)CN1CCCN(c2ccccc2Cl)CC1 1307750075 WCFRRMUIAMQSPT-UHFFFAOYSA-N 285.218 3.605 30 20 CHED N#Cc1ccc(OC(=O)C2(Sc3ccccc3)CC2)cc1 1319445952 FWDHHDUUSSUVAN-UHFFFAOYSA-N 295.363 3.789 30 20 CHED CCN(CCC#N)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 1320376494 QLPXHZPLOKMHKM-UHFFFAOYSA-N 298.430 3.994 30 20 CHED C=C[C@@H](COC)NCc1ccc(SC(F)(F)F)cc1 1321238915 DHVQATSJMOLPAX-NSHDSACASA-N 291.338 3.589 30 20 CHED C#CCN(Cc1ccc(C(F)(F)F)cc1)CC1CC1 1322948884 UAFKGQPKJWEVQQ-UHFFFAOYSA-N 267.294 3.551 30 20 CHED Cc1c(C(=O)OCCCCC(C)(C)C#N)ccc2cncn12 1324688380 YZQJZINRAPXCCP-UHFFFAOYSA-N 299.374 3.520 30 20 CHED COc1ccc(Cl)c(NC(=O)CC#Cc2ccccc2)c1 1327106306 LLECVSBGZPHXKK-UHFFFAOYSA-N 299.757 3.729 30 20 CHED N#CCOc1ccc(N[C@@H]2CCCc3scnc32)cc1 1329744869 FZTQRVLTNJOCKJ-CYBMUJFWSA-N 285.372 3.535 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Cn2cccc2)cc1 1338593113 YEURYSPQMZFHCN-UHFFFAOYSA-N 282.387 3.575 30 20 CHED CCOCCCC(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1345106625 VMFFXVVLBSZGEY-DOMZBBRYSA-N 295.404 3.699 30 20 CHED CC(C)(C)c1ccc(NN=C2CCC(F)(F)CC2)nn1 1345931646 SSGVBPULIRRHRS-UHFFFAOYSA-N 282.338 3.751 30 20 CHED C=C(CC)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 1347281855 BGWMVQYMGBYLDE-UHFFFAOYSA-N 282.387 3.840 30 20 CHED C=CCc1ccc(OC(=O)C2(C(C)(F)F)CC2)c(OC)c1 1351258687 LTIFNSHEPYMJPF-UHFFFAOYSA-N 296.313 3.765 30 20 CHED CCCCCCCCCC(=O)NCC1(C#N)CCOCC1 1353946797 INFASPMMGCRRKK-UHFFFAOYSA-N 294.439 3.564 30 20 CHED C=C(CNC(=O)[C@H]1CCc2cc(F)ccc21)c1ccccc1 1460673995 NVYBVMQJXJNSDX-SFHVURJKSA-N 295.357 3.685 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc(C)cc(C#N)c1 1466839306 FTMVLFKIFKEEDI-YPMHNXCESA-N 273.380 3.813 30 20 CHED CC(C)C[C@@H](C(=O)N(C)[C@@H](C)CC#N)c1ccccc1 1518826086 SSRRGYFSFGTGHU-GOEBONIOSA-N 272.392 3.577 30 20 CHED COc1cc(Cl)cc(C(=O)Nc2sccc2C#N)c1 1523570202 CDFYDFUUNKTKGA-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCCN(C(=O)c1csc(C#N)c1)c1ccccc1F 1532195522 JWRXTJMCWPDCCU-UHFFFAOYSA-N 288.347 3.816 30 20 CHED Cc1ccc(COC(=O)c2ccc(C)c(C#N)c2)cc1 1538361117 XDRNFQZFQSPABR-UHFFFAOYSA-N 265.312 3.532 30 20 CHED N#Cc1ncccc1SCc1cccc2cccnc12 1559412371 IZKYNBMNYWVPSO-UHFFFAOYSA-N 277.352 3.794 30 20 CHED C=C(CNC(=O)N[C@@H]1C[C@H]1CC(C)(C)C)c1ccccc1 1564882644 XEAJFAUGUPEYTL-JKSUJKDBSA-N 286.419 3.824 30 20 CHED C#Cc1ccc(NC(=O)c2ccc3c(c2)CCN3)c(Cl)c1 1574756738 FYBAVEPYOQOQMO-UHFFFAOYSA-N 296.757 3.542 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cc(C(=O)O)ccc1Cl 1593904769 KSISIIPVONQYPQ-ZDUSSCGKSA-N 294.782 3.540 30 20 CHED CC1(CNC(=O)Nc2ccc(F)cc2C#N)CCCCC1 1623179996 CPHZGJFTFXTVBC-UHFFFAOYSA-N 289.354 3.789 30 20 CHED CC1(C)CCCC[C@@H]1Nc1ccc(Cl)c(C#N)n1 1650851183 CPGDBBVQEVBDGD-LBPRGKRZSA-N 263.772 3.987 30 20 CHED Cc1cc(=N[C@@H](c2ccc(F)c(C)c2)C2CC2)c(C#N)c[nH]1 1650885406 OSAZKFANTCJTFF-GOSISDBHSA-N 295.361 3.694 30 20 CHED N#Cc1cc(COc2ccc(F)c3cccnc23)ccc1F 1652077638 CODFFKDGVBQHDA-UHFFFAOYSA-N 296.276 3.964 30 20 CHED C[C@]1(Cc2ccc(F)cc2)CCCN1c1cccc(C#N)n1 1655589039 OHICBLQVAHMDED-GOSISDBHSA-N 295.361 3.694 30 20 CHED N#Cc1ccc(F)c(CNC2CCc3ccccc3CC2)c1 1656974628 UQRXKLGDZXDBSL-UHFFFAOYSA-N 294.373 3.735 30 20 CHED C[C@H]1C[C@@H]1CNC(=O)Nc1scc(C(C)(C)C)c1C#N 1677855020 FUELTKFHSRVDTL-VHSXEESVSA-N 291.420 3.695 30 20 CHED CC(C)[C@H]1CCC(=NNc2cccc(C(=O)O)c2)C1 1776037258 PHFZZCMRCCEMIE-NSHDSACASA-N 260.337 3.609 30 20 CHED O=C(O)c1cc(NN=C2C[C@H]3CCC[C@@H](C2)C3)ccc1F 1776064898 LIMIESYQJIGJOO-PHIMTYICSA-N 290.338 3.892 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@@H]2C=CCCCCC2)C1 1776154622 OGGPSMDZNVSOFS-WBVHZDCISA-N 277.408 3.618 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1)C2 6004497 WLNXGKLGUVFTLX-NTEUORMPSA-N 250.297 3.518 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 6471456 TWLMXYRTHBEUIY-RMKNXTFCSA-N 251.260 3.593 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1OC 8080272 NVHREDMOHAKXDF-FNORWQNLSA-N 288.368 3.970 30 20 CHED N#Cc1ccc(CNC2CCCCCCC2)c(F)c1 20046431 CZWPNEXGAMEFDC-UHFFFAOYSA-N 260.356 3.900 30 20 CHED CCCOc1cccc(NC(=O)c2ccc(C#N)cc2)c1 27071128 QIRVCFFHLZNDAB-UHFFFAOYSA-N 280.327 3.599 30 20 CHED N#Cc1ccc(CNc2cc(Cl)ccc2F)cc1 35083697 WUUQFTZBOXIHPV-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCc1sc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1C 41521522 GFOGWFWKLILNAI-JTQLQIEISA-N 290.413 3.874 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1cc(C)oc1C 44729544 ZVILHMVOSYAZLJ-CQSZACIVSA-N 283.371 3.759 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)c2ccc(C)cc2)c1 47399951 GUGAENHPSOYEQE-AWEZNQCLSA-N 278.355 3.859 30 20 CHED Cc1ccccc1C(=O)COc1ccc(C#N)cc1Cl 48353357 UXQOVTKNUCPDQM-UHFFFAOYSA-N 285.730 3.782 30 20 CHED Cc1ccccc1CC(=O)Nc1sc(C)c(C)c1C#N 57498267 PYDHIHGPVYVJCB-UHFFFAOYSA-N 284.384 3.726 30 20 CHED C=CCCC(=O)Nc1sc(C)c(CC)c1C(=O)OCC 60364706 VMBDYHVATBFQMO-UHFFFAOYSA-N 295.404 3.700 30 20 CHED C=CCCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 60365159 ZPLDOZZESYVJOM-AWEZNQCLSA-N 259.393 3.825 30 20 CHED CCN(Cc1cc(-c2ccc(C)cc2)no1)C[C@@H](C)C#N 66425066 NWVHIXLBLRDTOR-AWEZNQCLSA-N 283.375 3.632 30 20 CHED CC(C)[C@@H](C)CC(=O)Nc1cccc(OCCCC#N)c1 67816669 ZQZGQWFWCBLJGM-AWEZNQCLSA-N 288.391 3.990 30 20 CHED CCN(C[C@H](C)C#N)Cn1ccc(=S)c2ccccc21 68617019 SZXMBPZDTSHHQK-CYBMUJFWSA-N 285.416 3.810 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1F 71923718 OVKVPMQKWWOKBG-FNORWQNLSA-N 281.286 3.602 30 20 CHED Cc1cc(C)c(NC(=O)c2cc(C#N)ccc2F)c(C)c1 75914026 MPBMVGWEPSLROD-UHFFFAOYSA-N 282.318 3.875 30 20 CHED N#CCSc1cccc(C(=O)N2CCc3ccccc32)c1 79381098 SBTDRJJGOHXUDQ-UHFFFAOYSA-N 294.379 3.505 30 20 CHED CCCCCC[C@H](C)NC(=O)c1cc(C#N)cs1 84169346 QFCUTNSYCQDWFJ-NSHDSACASA-N 264.394 3.708 30 20 CHED C[C@H]1CCC[C@@H](CNc2cccc(OCC#N)c2)C1 89607006 QEOQFEIUEAGNJQ-UONOGXRCSA-N 258.365 3.827 30 20 CHED C[C@@H](NCCCC(F)(F)F)c1ccc(C#N)cc1 97988586 CULZVOLZVADTRP-SNVBAGLBSA-N 256.271 3.551 30 20 CHED C=CCCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 102218497 ONLASHKNXWKHFZ-UHFFFAOYSA-N 272.175 3.918 30 20 CHED CC[C@@H](CC(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 103638073 HWNYRWYVSKDFCH-HOCLYGCPSA-N 278.355 3.842 30 20 CHED C[C@@H](CC(=O)N(C)Cc1cccc(C#N)c1)C(C)(C)C 108688925 RIBGCDDRVVYFPI-ZDUSSCGKSA-N 272.392 3.589 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc([N+](=O)[O-])c(O)c1 113771983 OLIZQPYINMSPGI-HWKANZROSA-N 289.312 3.566 30 20 CHED C=CCS[C@@H](C)c1nc(-c2cccs2)no1 114756621 HPSULFIUXGUMGV-QMMMGPOBSA-N 252.364 3.778 30 20 CHED Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)c(C)n1 119066827 UHHLLGGRUUTLBI-CYBMUJFWSA-N 281.359 3.601 30 20 CHED C=C[C@@H](CC(=O)NCCOCCC(C)C)c1ccccc1 119315798 UOUXFXHAQOCIFZ-INIZCTEOSA-N 289.419 3.525 30 20 CHED C=CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Br 122712165 YQIFMMXYLRXAAU-MRVPVSSYSA-N 285.141 3.734 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H]1c1cccc(Cl)c1 123191022 VDBCLLLKSXQVTD-JKSUJKDBSA-N 279.811 3.804 30 20 CHED N#CCCCN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 123888226 CUBQQURHJNKVMW-MSOLQXFVSA-N 286.419 3.658 30 20 CHED CCCCCCCCOC(=O)c1csc(NC(C)=O)n1 125992685 DCIYYXIRCLEETO-UHFFFAOYSA-N 298.408 3.619 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)Cc1ccc(C(C)C)cc1 126387226 GCFNWGFEFRZDSR-HNNXBMFYSA-N 289.419 3.750 30 20 CHED N#Cc1ccc(CN2CCc3c([nH]c4ccccc34)C2)cc1 127174969 GKXGYPLQPKHLJF-UHFFFAOYSA-N 287.366 3.598 30 20 CHED C=CCCC(=O)N[C@@H](CCC)CCc1ccccc1 130334108 YCQRXVJJCSXHBS-INIZCTEOSA-N 259.393 3.870 30 20 CHED C=CCCC(=O)CSc1nnc(-c2sccc2C)o1 134811043 DZHAVHVJERSKNB-UHFFFAOYSA-N 294.401 3.734 30 20 CHED CCCCCCCCS(=O)(=O)c1ccccc1 137196058 JPMVDVIGHJCZJW-UHFFFAOYSA-N 254.395 3.821 30 20 CHED C[C@H](CCc1ccc(F)cc1)NCc1cccc(C#N)c1 151397719 ADZWNAMVUAVXLS-CQSZACIVSA-N 282.362 3.808 30 20 CHED CCN(C(=O)CCC(C)(C)C)c1ccc(C#N)cc1 151988985 QLPGXPGFLADCRI-UHFFFAOYSA-N 258.365 3.737 30 20 CHED CCCCCCCCC(=O)N1CCOCC12CCC2 152065317 MEPAAULSRYEEDN-UHFFFAOYSA-N 267.413 3.519 30 20 CHED COC(=O)Nc1cccc(NCCCC(C)(C)C#N)c1 153404167 LLNCJZNTOUWGNZ-UHFFFAOYSA-N 275.352 3.607 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1ccc(OC(C)(C)C)cc1 154756307 PEIAULFJIRNCNF-DHZHZOJOSA-N 298.386 3.802 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C/c1cccs1 155823719 YJVNXMDOSFDVBD-SOFGYWHQSA-N 275.348 3.849 30 20 CHED C=CCCCCCN(C)C(=O)c1c(OC)cccc1OC 156079152 VYENRDNNHNQQGX-UHFFFAOYSA-N 291.391 3.522 30 20 CHED C=C(C)CNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 156262522 COGBXXSSKSWYOE-UHFFFAOYSA-N 299.201 3.637 30 20 CHED C=CCCNc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 157149839 KAMLCXGEGFTNRK-GJZGRUSLSA-N 286.419 3.793 30 20 CHED C=C(C)CNC(=O)Nc1cccc(-c2nc(C)cs2)c1 157286096 PFZHXLQODBHIIU-UHFFFAOYSA-N 287.388 3.816 30 20 CHED N#CCCCCN1CCC(Oc2ccccc2Cl)CC1 157394084 JXAJRXFVWMNFFQ-UHFFFAOYSA-N 292.810 3.877 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)CSCc1ccccc1 162786423 ONJOORJGYQZDKK-KGLIPLIRSA-N 277.433 3.637 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(Cl)cc2C)c1 162881235 GTZLXZQRONDRPQ-UHFFFAOYSA-N 283.758 3.906 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)cc2C)c(C)c1 165697206 RJIISUGKOUWXHK-UHFFFAOYSA-N 279.339 3.957 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1oc2ccc(F)cc2c1C 172063886 CGMCEJAXEWNSLK-SNVBAGLBSA-N 290.338 3.644 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1sc(C)nc1C 172765269 VQHXPWQTVYTSBX-UHFFFAOYSA-N 297.427 3.820 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(C(C)=O)cc2)cc1 173525916 DWTGYGSTAGTDSZ-UHFFFAOYSA-N 296.322 3.673 30 20 CHED N#C[C@H](C(=O)CC1CCC1)c1nc(-c2ccncc2)cs1 174104349 AELAYNKLSZQQGT-CYBMUJFWSA-N 297.383 3.572 30 20 CHED CC1(C)CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 176089253 QDGYGASPCLNVOF-UHFFFAOYSA-N 289.354 3.741 30 20 CHED Cc1ccccc1C1(CNCc2cc(C#N)cs2)CC1 177694696 KHKSNEXWNFBTPA-UHFFFAOYSA-N 282.412 3.750 30 20 CHED COc1c(C)cc(C(=O)Nc2ccc(CC#N)cc2)cc1C 179649126 LWAFFVCDJQSOIV-UHFFFAOYSA-N 294.354 3.630 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(CC)ccn1 180208855 JOQSQINDSRCECN-UHFFFAOYSA-N 286.419 3.853 30 20 CHED N#CCCCN[C@@H](c1cccc(F)c1)C1CCCC1 181020516 WNSXHOIFVAUVPR-MRXNPFEDSA-N 260.356 3.950 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(Cl)cc1C 181495982 NYHYJAFKFJYWBN-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1ccccc1O 183507210 HJVNOORZUZBEID-AWEZNQCLSA-N 283.371 3.808 30 20 CHED C=CCOc1ccccc1C(=O)N1CCc2c(F)cccc21 183761394 GBLFHFGHPABSID-UHFFFAOYSA-N 297.329 3.593 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)c1nc(C)cs1 183852029 LMYPSGNHYQGMOG-VXGBXAGGSA-N 295.452 3.599 30 20 CHED Cc1cc(C#N)ccc1CSCc1nc(C2CC2)no1 186081607 QXDGPHGTWKJNJZ-UHFFFAOYSA-N 285.372 3.561 30 20 CHED C[C@H](Nc1cnn([C@H](C)C2CC2)c1)c1cccc(C#N)c1 187609421 OCEXBAODMCZDJJ-QWHCGFSZSA-N 280.375 3.899 30 20 CHED Cc1cc2nnc(S[C@@H](C)CCC#N)n2c2ccccc12 188223352 KHESMFXYKXFJSH-LBPRGKRZSA-N 296.399 3.975 30 20 CHED CCN(Cc1ccc2nc(C)ccc2c1)C[C@@H](C)C#N 189743854 MJFFFUDPTUWQFM-ZDUSSCGKSA-N 267.376 3.525 30 20 CHED CC(=O)c1ccc(O[C@H](C)c2cccc(C#N)c2)cc1 190086045 HVKGNBBZARASPD-CYBMUJFWSA-N 265.312 3.901 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 190454535 MVGXCQRJLZMOQF-MRXNPFEDSA-N 290.363 3.624 30 20 CHED C#CCCCC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 190509486 DJVCKDRZNAEZEB-CYBMUJFWSA-N 292.448 3.898 30 20 CHED C#CCCCC(=O)Nc1ccnc(Oc2ccccc2)c1 192308714 CYAPTFXOFJIOOI-UHFFFAOYSA-N 280.327 3.616 30 20 CHED C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCCCC#N 194074328 DUOACYLZMVMOHI-CYBMUJFWSA-N 289.375 3.598 30 20 CHED N#CCCN(Cc1ccco1)Cc1cc(Cl)cs1 194302587 KBNMYRZFRBSQGT-UHFFFAOYSA-N 280.780 3.910 30 20 CHED CCCN(C)c1c(C#N)cnc2c(F)ccc(Cl)c12 195732210 PRXWOADFIFKZTN-UHFFFAOYSA-N 277.730 3.745 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1cccc(OCC#N)c1 221888356 CCNFIIANVHYXST-WWGRRREGSA-N 258.365 3.826 30 20 CHED C=CCCOCCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 222442708 BNQAUZFNRDLMHV-BZUAXINKSA-N 251.414 3.528 30 20 CHED Cc1ccc(OCc2ccc(C#N)cc2C)cc1F 226418853 GSXSDZCQNNKCFA-UHFFFAOYSA-N 255.292 3.893 30 20 CHED N#Cc1ccc(NCc2ccccc2O)c(Cl)c1 228428632 LVSWJMJBTXPYKN-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C#CCCCCNC(=O)c1cc2ccc(F)cc2s1 229746311 JRGCVPGCEJSXLS-UHFFFAOYSA-N 275.348 3.574 30 20 CHED CC(C)CCN(CCC(C)C)c1cccc(C#N)n1 232553096 GPFMUVQIQBFQDP-UHFFFAOYSA-N 259.397 3.852 30 20 CHED C[C@@H]1[C@@H](NCc2ccc(OCC#N)cc2)CCC[C@H]1C 250113387 NIDKCBGMGFJFFU-KEYYUXOJSA-N 272.392 3.503 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(C#N)cc2F)C[C@H]1C 251744066 JLMFNJXNQAOTFT-JMSVASOKSA-N 260.356 3.612 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(OC)cc2)cc1 255194748 LYSWQLYKHVUWRJ-GHXNOFRVSA-N 282.339 3.738 30 20 CHED Fc1ccccc1C=NOCc1ccn(-c2ccccc2)n1 255588171 KXUHSRSPZBGTCA-UHFFFAOYSA-N 295.317 3.562 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(O)c1)CC2 255883403 XKVIUNYFEQDCOH-XNTDXEJSSA-N 264.324 3.913 30 20 CHED C=C1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 264457775 JMDWAVPIUGTFOM-UHFFFAOYSA-N 299.201 3.584 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 265901302 UYBRMHGKYAAJIZ-RCCFBDPRSA-N 298.430 3.584 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2ccco2)s1 269308666 VGTNRHOYPCZDJI-VOTSOKGWSA-N 261.346 3.930 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H](COc2ccccc2)C1 272474484 BBTJVPBNLIXIEU-MRXNPFEDSA-N 286.419 3.717 30 20 CHED C[C@H](NC(=O)C[C@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 274405437 NORVWZGTMGBESQ-HEHGZKQESA-N 270.376 3.562 30 20 CHED C=CCCCCN[C@@H](c1ccc(F)cc1)c1ncc[nH]1 275742610 QRDFFBPGZWEFJE-HNNXBMFYSA-N 273.355 3.584 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 276042682 GHIJDNSVHWRQNE-CQSZACIVSA-N 260.381 3.582 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)CC(C)(C)C#N)C1CC1 278484358 KKCOWVAGKADQBW-ZDUSSCGKSA-N 270.376 3.678 30 20 CHED CN(Cc1ccccc1C(F)(F)F)[C@@H]1CC[C@H](C#N)C1 278564445 ISHQVBDDOXBNSH-WCQYABFASA-N 282.309 3.829 30 20 CHED CCCCCCCCCCNC(=O)CCc1cnccn1 279952010 PCBLINCXNIZLQV-UHFFFAOYSA-N 291.439 3.666 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(F)cc(F)c1 280712041 DPXICLWGANCYPB-MKBNYLNASA-N 281.346 3.597 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1ccc(Cl)s1 281430126 RMIYRFAIPIPLNB-JTQLQIEISA-N 286.828 3.898 30 20 CHED N#CC1CCC(CNc2nnc(-c3ccccc3)s2)CC1 281629902 LEZRMGIQJMUSMP-UHFFFAOYSA-N 298.415 3.947 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 285775014 JPQFZSGYXMFLQM-LBPRGKRZSA-N 287.146 3.577 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCCc2cc(Cl)ccc21 289185437 WGWIZHSSRITADF-OAHLLOKOSA-N 276.767 3.559 30 20 CHED CC[C@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 290877592 BNBVWAXPAZCRTC-ZDUSSCGKSA-N 264.756 3.601 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(NC(=O)OC)c1C 292295118 IPUVUFAKMWPSFD-UHFFFAOYSA-N 290.363 3.714 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C 292615050 BPLASJZCGNEITB-ZBFHGGJFSA-N 271.404 3.993 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cccc(C2CC2)c1 295608388 PUPJFYPARDPWJW-MORSLUCNSA-N 299.414 3.722 30 20 CHED CCOC1CC2(CCN(c3cccc(Cl)c3C#N)C2)C1 295739229 XTABKNHFXZUCNN-UHFFFAOYSA-N 290.794 3.607 30 20 CHED COc1ccc([C@@H](C)N(C)c2ccc(C#N)cc2)cc1 301232343 BHOOWAGJPCQWCE-CYBMUJFWSA-N 266.344 3.764 30 20 CHED CCS[C@@H]1CC[C@H](N(C)c2cccc(F)c2C#N)C1 301483188 XQXFQSHFYCLERS-NWDGAFQWSA-N 278.396 3.808 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)C(C)(C)c1ccccc1 301851505 PMSPGVNNRSWCMC-CYBMUJFWSA-N 265.360 3.731 30 20 CHED N#Cc1ccc(N[C@@H](c2ccccc2F)C2CCCC2)nn1 301976761 WGURNHTWNNLYRG-QGZVFWFLSA-N 296.349 3.831 30 20 CHED CC(C)[C@@H](Nc1ccc(C#N)nn1)c1ccccc1Cl 301990238 MDKJNFUQDQDQDV-OAHLLOKOSA-N 286.766 3.811 30 20 CHED CCC[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 302197541 PLDBZBVQYQPNJC-INIZCTEOSA-N 287.363 3.873 30 20 CHED C=CCN(Cc1cccs1)Cc1ccccc1OC 302593280 NODKPGRBMDKMPR-UHFFFAOYSA-N 273.401 3.945 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CCc2ccccc21 302822070 DUFMWLPYRCEJPP-INIZCTEOSA-N 259.312 3.529 30 20 CHED Cc1cccc(C)c1OCc1ccc(F)cc1C#N 303203003 OSKSCZOETFMKPT-UHFFFAOYSA-N 255.292 3.893 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 303622182 DKJNSDCZWZBZDS-ZZXKWVIFSA-N 284.286 3.759 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccccc2Cl)c1 308176532 AXEMJWQXCRYKMV-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Cc1nc(NCC2CCC(C)(C)CC2)ccc1C#N 311477204 BTLIUYOFTKXXSC-UHFFFAOYSA-N 257.381 3.890 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 311902820 YLBUYSNFERJVIY-GFCCVEGCSA-N 276.767 3.976 30 20 CHED CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C12CCCC2 315813160 ISCKFBMMCPOXKM-BMGDILEWSA-N 298.430 3.947 30 20 CHED O/C(COc1cccnc1)=N/C[C@@H]1C[C@H]1C1CCCCC1 329334824 KXNMHQDXRVSLPW-HOCLYGCPSA-N 288.391 3.633 30 20 CHED C[C@@H]1OCC[C@@]1(C)/N=C(/O)c1scnc1C1CCCC1 329529732 UAYGQZXLSOHIML-ZUZCIYMTSA-N 294.420 3.673 30 20 CHED CC[C@H]1CCCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C 334169748 AZXUDYDPNURQMB-ZDUSSCGKSA-N 288.395 3.521 30 20 CHED Cc1ncc(NC(=O)c2ccc(C(C)(C)C#N)cc2)s1 335386838 JKDOGCUHGLFCHN-UHFFFAOYSA-N 285.372 3.505 30 20 CHED C=C1CCN(C(=O)c2cc(-c3ccccc3)ns2)CC1 335836228 BIQLEHMJIQKXFQ-UHFFFAOYSA-N 284.384 3.602 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC(CC)(CC)CC1 337926168 MJRSOHHKEHZDAB-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CCCCN[C@@H](CC(=O)OC(C)C)c1ccccc1 340848081 LTUDBEWIRBTIOM-INIZCTEOSA-N 275.392 3.625 30 20 CHED COc1cccc([C@@H](C)NCc2ccc(F)cc2C#N)c1 341187294 BXPLHDLKHGYMDH-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CCN(CCC#N)C(=O)C(CC)(CC)c1ccccc1 344184606 IQTODHDZQPYTFC-UHFFFAOYSA-N 272.392 3.507 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCC[C@@H]1CCCF 348208984 VTAWFZIFGGGNJZ-KGLIPLIRSA-N 254.393 3.824 30 20 CHED Cn1cc(/C=C/c2ccncc2C#N)c(-c2ccccc2)n1 349115931 YFHODAZBTRVBIK-BQYQJAHWSA-N 286.338 3.524 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccsc1 352383683 MDWOWCSUBRGDFC-UHFFFAOYSA-N 273.401 3.945 30 20 CHED C=C(CN[C@H](C)c1ccc(OC)c(O)c1)c1ccccc1 353412665 MKQPCMXBNYHFIH-CQSZACIVSA-N 283.371 3.765 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@@H](C)C2(CCC2)C1 357019312 COVZFQQRCALDMG-CQSZACIVSA-N 284.403 3.579 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 357147947 GHXDLAUQTMOONP-GHMZBOCLSA-N 275.314 3.532 30 20 CHED Cc1nc(-c2nc([C@@H]3C[C@@H](C)C[C@@H](C)C3)no2)ccc1C#N 357660335 FHUBKPVUWZBVKC-YABSGUDNSA-N 296.374 3.851 30 20 CHED C=CCN(C(=O)Nc1ccc2[nH]c(C)cc2c1)C1CC1 357869182 SKTWNRVMZKVDGH-UHFFFAOYSA-N 269.348 3.659 30 20 CHED C=CCCC1(C(=O)Nc2cc(C3CC3)ccn2)CC1 358218323 FHFNLOGJSKAARG-UHFFFAOYSA-N 256.349 3.644 30 20 CHED N#CCCCC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 360493960 ZRYZNGUQFVWFCY-CVEARBPZSA-N 270.376 3.523 30 20 CHED N#CCC[C@H](C#N)CN1CCC(=Cc2ccccc2F)CC1 362407001 YHDSMLXYRYDNNA-MRXNPFEDSA-N 297.377 3.748 30 20 CHED C=CCCCC(=O)N1CCC(c2cccc(F)c2)CC1 364268505 RLKJNWIDNPMEKI-UHFFFAOYSA-N 275.367 3.888 30 20 CHED C#CCCN1CCc2sccc2[C@@H]1c1cccs1 371462783 JDESQXYTFPZNPT-OAHLLOKOSA-N 273.426 3.780 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 373495489 MZEHDIHCECLCCB-ZBFHGGJFSA-N 290.382 3.679 30 20 CHED N#CCOc1ccc(NCc2sccc2Cl)cc1 394094770 MLTFFBHCWRBOSG-UHFFFAOYSA-N 278.764 3.916 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)COCc1ccccc1 409965561 VDDFDFRHNXBDSH-MRXNPFEDSA-N 289.419 3.700 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(C#N)cc1Cl 410589701 MECIKUUVFXZPMD-BMIGLBTASA-N 276.767 3.976 30 20 CHED Cc1c(C(=O)Nc2ccccc2CC#N)ccn1C(C)C 410831433 ZDZTYNVBLYJURR-UHFFFAOYSA-N 281.359 3.696 30 20 CHED CCC[C@H](C)CC(=O)Nc1ccc(C#N)cc1C(C)=O 411059563 FQGDIMUSIDBJBC-NSHDSACASA-N 272.348 3.526 30 20 CHED CCc1cc(N[C@H]2CCCc3cc(C#N)ccc32)nc(C)n1 419019764 VXRCJLODBLPDAN-KRWDZBQOSA-N 292.386 3.709 30 20 CHED C[C@@H]1C[C@H](C(=O)NCc2ccc(C#N)s2)CC(C)(C)C1 421605266 UNLZTALORDVLPO-NEPJUHHUSA-N 290.432 3.698 30 20 CHED Cc1ccc(F)cc1OCc1cccc(F)c1C#N 427543330 LKPKCBUHRPBFCH-UHFFFAOYSA-N 259.255 3.724 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(C3CCC3)cc2)cc1O 427988370 OEZYLUXQUFSHHV-UHFFFAOYSA-N 292.338 3.784 30 20 CHED N#Cc1cccnc1NC[C@H](c1ccccc1)C1CC1 431490346 KNFXUPYKXOZEJY-MRXNPFEDSA-N 263.344 3.559 30 20 CHED N#CCCCCNCc1ccc(F)c(Cl)c1Cl 432247734 VFSACZQFPVWDGV-UHFFFAOYSA-N 275.154 3.916 30 20 CHED N#Cc1cc(CN[C@@H](c2ccccc2)C(F)F)ccc1F 433050443 BZIGCEUTBWKUSN-HNNXBMFYSA-N 290.288 3.793 30 20 CHED CCc1ccc([C@@H](C)C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 434031080 LIBHCCHAVPGWPO-PBHICJAKSA-N 298.430 3.893 30 20 CHED CC[C@H](C)n1ncc(Nc2c(C#N)cccc2C#N)c1C 436373758 VDYKSQFFOUSPLV-NSHDSACASA-N 279.347 3.649 30 20 CHED Cc1ccc(C)c(N(C)Cc2cc(C#N)cs2)c1 437999697 YHNGOSROKBOPGZ-UHFFFAOYSA-N 256.374 3.873 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 442847298 QCCGRTOIBIZVCU-GZOSKZMVSA-N 268.404 3.982 30 20 CHED O=C(CSCC#Cc1ccc(F)cc1)Nc1ccccc1 443410263 ZLCKLEHRZDJFOG-UHFFFAOYSA-N 299.370 3.549 30 20 CHED C=CCN(C)Cc1nc(C2CCCCC2)cs1 444667555 APCIRSWNZDNFTK-UHFFFAOYSA-N 250.411 3.809 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCCCC(C)(C)C#N 445892021 YPSKRMAGOUPEAA-LLVKDONJSA-N 264.335 3.883 30 20 CHED C=CC1CCN(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)CC1 446290400 XYSCXYVJQLTWRX-CMPLNLGQSA-N 292.345 3.571 30 20 CHED CC[C@@H](NC[C@H](C)C(F)(F)F)c1ccc(C#N)cc1 447602447 ULZOEMNMHQVODO-GXFFZTMASA-N 270.298 3.797 30 20 CHED C=CCC[C@@H](C)Nc1cccc2c1OCC[C@H]2OC 448026273 HOYWDUAOAZBQHP-IUODEOHRSA-N 261.365 3.923 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 448667466 XPLKWMFGGBJUBR-LSDHHAIUSA-N 287.407 3.530 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@@H]1CCc2ccccc21 448819237 ABSHLZIVBFSNPE-KURKYZTESA-N 299.414 3.504 30 20 CHED C=CC(C)(C)C(=O)NCCCCCOC1CCCCC1 448964189 UWPZXGQQPQXYAD-UHFFFAOYSA-N 281.440 3.834 30 20 CHED N#Cc1cccc(CNCC[C@@H]2CCc3ccccc32)c1 449380277 VVIWEWNDWIRSEN-SFHVURJKSA-N 276.383 3.768 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H]1CCOC2(CCC2)C1 449475113 FATIKVBQCRSQIV-RRFJBIMHSA-N 251.414 3.526 30 20 CHED C=CCC1(C(=O)Nc2cccc(CN(C)C)c2)CCCC1 449540563 JKPUPNQHOHUZNN-UHFFFAOYSA-N 286.419 3.823 30 20 CHED C=CCC[C@H](CCC)NC[C@H](c1ccccc1)c1nc[nH]n1 449670887 QMKDJVNXYLMHFI-DLBZAZTESA-N 298.434 3.661 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2cccc(O)c2)CCCC1 450170267 VUXZWJNFMCYOJZ-CQSZACIVSA-N 287.403 3.576 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1ncc(C#N)cc1[N+](=O)[O-] 450436192 GMNWIYSCEQYBCK-LBPRGKRZSA-N 296.330 3.651 30 20 CHED C=CCN(C(=O)Cc1cc2ccccc2s1)C1CC1 450583134 ILFKXKQCOFUONI-UHFFFAOYSA-N 271.385 3.621 30 20 CHED C=CCC1(CNc2nccc(C(F)F)n2)CCCC1 450845142 MHOLDZYTWBVXCK-UHFFFAOYSA-N 267.323 3.963 30 20 CHED C=CCCN(C)C(=O)c1ccc(OC(CC)CC)cc1 451058569 GMTSNNGBLPRPLM-UHFFFAOYSA-N 275.392 3.902 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C2CC2)nc1C 452137442 DVKHVGYFUHWSLL-UHFFFAOYSA-N 272.392 3.600 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@]1(C)CC(C)C)OCC 452507899 HOQLCVIGAHTKGS-DOTOQJQBSA-N 281.440 3.785 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cnn(C(C)(C)C)c1C 453308700 NKAIPEKQMUZVHU-LBPRGKRZSA-N 263.429 3.809 30 20 CHED CN(C(=O)C(C)(C)Cc1ccc(C#N)cc1)C1CCCC1 454427875 GKYMSJHVKNUZLU-UHFFFAOYSA-N 284.403 3.528 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(COCC)c1 454683634 ZGPUXAMRSRADAB-UHFFFAOYSA-N 276.380 3.557 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccccc1SC 454907459 PLQCYXYEZGZISU-GFCCVEGCSA-N 278.421 3.735 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@@H](c2ccccc2F)C1 455365263 KFRBTEWSHMYSSZ-CYBMUJFWSA-N 290.382 3.537 30 20 CHED CC[C@@]1(C(C)C)C[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 455606724 BGQUIJQOKIUQSA-AEFFLSMTSA-N 299.418 3.524 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2cccc(CC#N)c2)C1 456760989 XJNZJABSQOETKF-ZDUSSCGKSA-N 256.349 3.517 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2cc(F)ccc21 458815510 YDAJTWKNQWPCGW-UHFFFAOYSA-N 276.355 3.500 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCC[C@@H]1c1ccccc1 459725524 CUCQVSHDTVRZIZ-HZPDHXFCSA-N 256.393 3.852 30 20 CHED C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CC 460256098 GZIUPWDLWBPHNP-UHFFFAOYSA-N 288.370 3.507 30 20 CHED C[C@@H](C(=O)N1CCCc2ccccc21)c1cccc(C#N)c1 461770569 XAGYDFPAOHBIJG-CQSZACIVSA-N 290.366 3.641 30 20 CHED CN(C)[C@H](CNc1ccc(F)cc1C#N)C1CCCCC1 462925668 CSCMPSVPUNUFFS-QGZVFWFLSA-N 289.398 3.620 30 20 CHED C=CCOCCCC(=O)N[C@@H]1CCC[C@H]1CCC(C)C 463488940 GHDYVRAUZOENTF-JKSUJKDBSA-N 281.440 3.690 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@]1(C)CC 466321623 YXFDNZMGUUOUSS-WMZOPIPTSA-N 271.404 3.680 30 20 CHED C=C(C)C[C@@H](C)C(=O)NC1(Cc2ccccc2)CCC1 466417771 RZVDLNYXVDXMGA-OAHLLOKOSA-N 271.404 3.870 30 20 CHED C[C@@H]1CC[C@@H](C)N1CC#Cc1ccc(C(F)(F)F)cc1 466693975 XNGXWPKHWYPZQQ-CHWSQXEVSA-N 281.321 3.930 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)C 466767996 QSXIWFMVMWATEF-OAHLLOKOSA-N 296.361 3.879 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)CC1CC1 471908303 DNGXYFLOIMFVPA-HNNXBMFYSA-N 286.419 3.963 30 20 CHED C=CCc1ccc(OC[C@H](O)C2CCCCC2)c(OC)c1 473774871 UUKJTGCKLAQMLP-INIZCTEOSA-N 290.403 3.744 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC12CCCC2 474352056 DUMGXFLMDRZNFX-KRWDZBQOSA-N 299.414 3.790 30 20 CHED C[C@@H]1[C@@H](NCc2ccc(F)cc2C#N)CCC[C@H]1C 481181462 WDYZAQXLNIMFDF-WQGACYEGSA-N 260.356 3.612 30 20 CHED C=CCN(C)Cc1cc(Cl)ccc1OCC1CC1 482864601 WVHKGTNTQLPORW-UHFFFAOYSA-N 265.784 3.747 30 20 CHED Cc1nc(N2CCc3ccc(Cl)cc32)ccc1C#N 488053858 UQSFUTHWJSYTQJ-UHFFFAOYSA-N 269.735 3.609 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NC[C@]3(C)CCCS3)c2c1 488083290 PONDRRLZZAGOEY-KRWDZBQOSA-N 297.427 3.534 30 20 CHED C=CCn1cccc1C(=O)N1CCCC12CCCCC2 488809694 OJUIMJIJBXCCES-UHFFFAOYSA-N 272.392 3.613 30 20 CHED C=CCCCCCN(C)Cc1cccc(O)c1OC 490537405 CKIWLUHKNMZEJN-UHFFFAOYSA-N 263.381 3.579 30 20 CHED CCOc1ccc(C#N)cc1NCc1c(F)cccc1F 500972322 IQHQMDKEPLEVEG-UHFFFAOYSA-N 288.297 3.847 30 20 CHED CC#CCCNC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 502105433 OKXWRXBWJQYTCA-NVXWUHKLSA-N 284.403 3.583 30 20 CHED C[C@@H]1[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CCC[C@H]1C 504567029 XMDZMLJJCMYVRU-ZETOZRRWSA-N 290.794 3.766 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 505320787 ZPEOQYBMRVWGIK-LXZKKBNFSA-N 299.418 3.887 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1cccc(C#N)c1C 508019164 QDZLYGORHMEWAH-UHFFFAOYSA-N 292.382 3.840 30 20 CHED C=C(C)CCN(CC(=O)OCC)[C@@H](C)c1ccccc1 508967136 LOYLNZBDNBODJV-HNNXBMFYSA-N 275.392 3.579 30 20 CHED C=CCC[C@@H](O)CN1CC=C(c2ccccc2Cl)CC1 509428967 GMUQAOUDAAYIPH-OAHLLOKOSA-N 291.822 3.756 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@@H]2CCCF)CC1 510728457 AOLRRZZUNCLNEC-WBVHZDCISA-N 282.447 3.535 30 20 CHED CC[C@@H](C)CCC(=O)Nc1cc(C#N)ccc1OC(F)F 510842611 PNFAKYCCULFIEO-SNVBAGLBSA-N 296.317 3.924 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CCCC1 521201135 VVWWZSQWRGFZFW-UHFFFAOYSA-N 299.418 3.668 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(C#N)c1 521274217 UZRLHWNMNGEEMA-JSGCOSHPSA-N 256.349 3.713 30 20 CHED CC(C)Cc1ccc([C@H](NC(=O)[C@H](C)C#N)C2CC2)cc1 524071039 XPEMEDYOYZRNJB-DYVFJYSZSA-N 284.403 3.612 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C#N)c2)C1 525534497 FUPYJSOFONQDMK-WDEREUQCSA-N 276.767 3.976 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(-n2cccc2)c1 527827502 BHOVUDLNZDMINI-UHFFFAOYSA-N 281.359 3.746 30 20 CHED C=C(C)[C@H](CC(=O)N(C)C[C@H](C)c1ccccc1)OCC 535126140 RNJUCVCWMFXPAF-RDJZCZTQSA-N 289.419 3.620 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCC[C@@H]1CC(C)C)OCC 535148635 YJGSGSLUGUQHBT-HZPDHXFCSA-N 281.440 3.785 30 20 CHED CCCOc1ccc(CN(CC#N)C2CCCC2)cc1 537615794 CYZUIKOIEOQTJK-UHFFFAOYSA-N 272.392 3.744 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccccc1C)C(C)(C)C 538258013 PHYGMJOBQZESPB-NVXWUHKLSA-N 275.436 3.999 30 20 CHED Cc1ccc(OCCN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 539609342 FHNHCICWIVCFOU-AWEZNQCLSA-N 298.361 3.735 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1ccc(Cl)s1 539709635 JZOPQJWQPCXNJO-SNVBAGLBSA-N 286.828 3.598 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(C(C)C)cc1 540398974 WCQZNBMLVZPUFP-CABCVRRESA-N 261.409 3.645 30 20 CHED C=CCC[C@H](CCC)NCC1([C@H](O)C(C)C)CC1 540607468 NMFYUGJPACHURU-LSDHHAIUSA-N 253.430 3.508 30 20 CHED COCCOc1ccc(C#N)cc1N[C@H](C)C1CCCC1 542487733 RRTLGIZSGWDCDT-CYBMUJFWSA-N 288.391 3.574 30 20 CHED C=CC[C@H](C)N[C@H](c1ccc(F)cc1)c1ccccn1 542496380 NVAHQSVVJXZKPN-SUMWQHHRSA-N 270.351 3.864 30 20 CHED CC(C)[C@@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 547708818 AWPZBARBAOCHHK-MRXNPFEDSA-N 279.387 3.979 30 20 CHED C=CCOCCN1CCCCC[C@@H]1c1ccccc1 549366453 LHWQWVBSCSVVBS-QGZVFWFLSA-N 259.393 3.806 30 20 CHED C=CCOc1cccc(CNc2cc(C(=O)O)ccc2C)c1 551057864 IPZAYJXFCWXJIR-UHFFFAOYSA-N 297.354 3.870 30 20 CHED N#CCN[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 551428665 WKHXHQBENWLSAC-HUUCEWRRSA-N 262.784 3.869 30 20 CHED N#Cc1ccc(-c2nc(CC3CCCC3)no2)cc1Cl 556373674 QEEAKXIQUFDMGG-UHFFFAOYSA-N 287.750 3.994 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N[C@H](C#N)C(C)(C)C 563719374 XHOKOFFJEQZXRK-GDBMZVCRSA-N 286.419 3.700 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CC23CCCC3)cc1 564218589 HTYHHPXWSBPZKP-JKSUJKDBSA-N 282.387 3.510 30 20 CHED CC[C@H](Cc1ccccc1-c1csc(C#N)c1)C(=O)O 565235816 IVKQKFCMGBDBQI-LLVKDONJSA-N 285.368 3.940 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1ccc2n[nH]cc2c1 566314910 DCBUOIHBFWVGSM-DOMZBBRYSA-N 257.381 3.958 30 20 CHED Cc1cc(C(=O)N2CC(C)(C#N)C2)sc1-c1ccccc1 569138900 WFIHBNJVOSUMPZ-UHFFFAOYSA-N 296.395 3.709 30 20 CHED N#CC1(CCn2nccc2-c2ccncc2)CCCCC1 581716280 DNPBRVGRNAIOEY-UHFFFAOYSA-N 280.375 3.809 30 20 CHED C[C@H](Cc1ccsc1)N[C@H]1CCc2ccc(C#N)cc21 583470552 SFJQEOPNOYHCKT-PXAZEXFGSA-N 282.412 3.828 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC1(c3ccccc3F)CC1)CC2 584690460 MEWRZJJNQDYUNP-SFHVURJKSA-N 292.357 3.964 30 20 CHED C=C(CNC(=O)[C@@H](C)SCCCC)c1ccccc1 588172465 OBPOMYNXMCHMTP-CQSZACIVSA-N 277.433 3.738 30 20 CHED N#CCCCCCC(=O)Nc1ccc(F)cc1Cl 588814171 QRSXRVVXCXUVCW-UHFFFAOYSA-N 268.719 3.892 30 20 CHED COc1cccc([C@H](C)c2noc(CCCCCC#N)n2)c1 589112658 QRRHVQLIUVCPJE-ZDUSSCGKSA-N 299.374 3.856 30 20 CHED C=C(C)COc1cccc(NC(=O)NCC(C)(C)C)c1 589739962 FMVRYBBMGIDWKJ-UHFFFAOYSA-N 276.380 3.809 30 20 CHED C[C@@](C#N)(NC(=O)CCCC1CC1)C1CCCCC1 589785226 RSIPTYMPFAKBLH-INIZCTEOSA-N 262.397 3.545 30 20 CHED CC(C)O[C@H](CN1CCC[C@](C)(C#N)C1)c1ccccc1 589990768 BGOVNCONKHWXCV-QZTJIDSGSA-N 286.419 3.778 30 20 CHED N#CCN(C(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1ccc(Cl)cc1 592653422 UJYVEXCCAMKZPP-HUBLWGQQSA-N 288.778 3.633 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCC(CCC#N)CC2)C[C@H]1C 592817784 OFEDABKPVTUPCP-FMKPAKJESA-N 276.424 3.601 30 20 CHED C[C@@H](C#N)c1ccc(-c2cccc(OCCN(C)C)c2)cc1 592983443 GOSBHIXZXDUVAR-HNNXBMFYSA-N 294.398 3.921 30 20 CHED N#CC1(c2cccc(-c3ccc(N4CCCC4)nc3)c2)CC1 592986195 FFAAWURMSVDQEQ-UHFFFAOYSA-N 289.382 3.904 30 20 CHED CCC[C@H](C)N(C)C(=O)Nc1scc(C)c1C#N 594108483 JJXNKUILIJEWGE-JTQLQIEISA-N 265.382 3.581 30 20 CHED CC[C@@H](C)CCNC1CCN(Cc2ccc(C#N)cc2)CC1 594968536 RMYZSMWXXOYQJK-MRXNPFEDSA-N 299.462 3.548 30 20 CHED Cc1ccccc1[C@H]1CN([C@H](C#N)c2ccccc2)CCO1 595325610 KHHDZVNBPVJZNS-RTBURBONSA-N 292.382 3.633 30 20 CHED CC1(C)CN(CCc2ccc(C#N)cc2)[C@H]1c1ccncc1 596595396 ZDAVHUADTZIYML-SFHVURJKSA-N 291.398 3.579 30 20 CHED Cc1cscc1NC(=O)CC1(C#N)CCCCC1 597424757 NYUXLWNLMNNHIT-UHFFFAOYSA-N 262.378 3.859 30 20 CHED C[C@@H](CC#N)C(=O)NC1(Cc2ccccc2)CCCCC1 597516032 BXWUHJNYKQSURS-HNNXBMFYSA-N 284.403 3.598 30 20 CHED Cc1cccc2cc(C(=O)N3CCC[C@@H](CC#N)C3)oc12 597910880 BYQCKJPPUMWZST-ZDUSSCGKSA-N 282.343 3.507 30 20 CHED CC[C@H](CC#N)NCCc1cccc(C(F)(F)F)c1 600151361 MVCFIQVDUQMDEG-CYBMUJFWSA-N 270.298 3.530 30 20 CHED COC(=O)c1ccc(N[C@H](C)c2cccc(C#N)c2)cc1C 600848914 IUCGGKOEFPFNEE-CYBMUJFWSA-N 294.354 3.826 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NC[C@H](C)CCC#N 602566050 UZWSVSXXIJWVAA-HZSPNIEDSA-N 254.443 3.580 30 20 CHED Cc1ccc([C@H]2CCN(Cc3cccc(C#N)n3)C2)c(C)c1 602650962 UDMXPHRPGLYLJU-INIZCTEOSA-N 291.398 3.560 30 20 CHED Cc1c(Cl)cncc1N[C@@H](C)CC1(C#N)CCOCC1 602670412 FLLUVQDOKCABEE-NSHDSACASA-N 293.798 3.554 30 20 CHED CC#CCN(Cc1cccs1)Cc1ccccc1OC 607723961 WCUANIXOVLXRTJ-UHFFFAOYSA-N 285.412 3.782 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1nc(C)cc(C)c1C#N)CC2 609288346 LIBBOKAWFTUVIL-QGZVFWFLSA-N 277.371 3.978 30 20 CHED Cc1ccc(F)c(CN[C@@H](C)c2cccc(C#N)c2)c1 610344608 AHQWQGIKULECLW-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED CN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 610661691 HSRCTWDUQLUWNJ-MRXNPFEDSA-N 293.326 3.590 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1nc3ccccn3c1C#N)CC2 611752757 PZDGVGVWUIPQKK-HNNXBMFYSA-N 288.354 3.614 30 20 CHED Cc1c(Cl)cccc1NC(=O)N1CCC[C@](C)(C#N)C1 612290268 WOSJDFIEXRNKRW-OAHLLOKOSA-N 291.782 3.806 30 20 CHED CC(C)COc1ccc(CN2CCC[C@](C)(C#N)C2)cc1 612406551 PPRICHQNRRUTJV-GOSISDBHSA-N 286.419 3.847 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 614534459 BZZOCVLGGJSROM-BLLLJJGKSA-N 292.338 3.945 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccsc1Cl 615287097 VZGJZUQVQITCCB-UHFFFAOYSA-N 257.786 3.734 30 20 CHED CCCn1c(C(=O)N[C@H](C#N)CC(C)C)cc2ccccc21 615745602 WKAPHGCEGRDQLV-HNNXBMFYSA-N 297.402 3.719 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCc3sccc32)C1 617783268 WXUUKCZYESJLGH-HIFRSBDPSA-N 289.444 3.983 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccc(F)c(Cl)c2Cl)C1 617852706 HRCZJSJMYYAEJD-LBPRGKRZSA-N 291.128 3.570 30 20 CHED C=C(CNCc1c[nH]nc1C(C)(C)C)c1ccccc1 620756712 OPCZGQUIEWZCRT-UHFFFAOYSA-N 269.392 3.510 30 20 CHED C=CCN(C(=O)c1cnc(OCC)c(Cl)c1)C(C)(C)C 622944212 JPAFAZJPEAWNSC-UHFFFAOYSA-N 296.798 3.560 30 20 CHED C=CCN(C(=O)Cc1ccccc1CC)C(C)(C)C 622944938 LHULQRHSLSKGBW-UHFFFAOYSA-N 259.393 3.605 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCCC(F)(F)CC1 624966963 JCLRADYBQCPGCS-UHFFFAOYSA-N 298.381 3.603 30 20 CHED C=CCC(C)(C)C(=O)N1Cc2ccccc2C(F)(F)C1 644810849 MLVWYYIFCZTIQF-UHFFFAOYSA-N 279.330 3.723 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCS[C@H]1C 648680341 ZQYXAVZMYXVQLM-AAEUAGOBSA-N 293.457 3.589 30 20 CHED C=CCC1(NC[C@@H](O)[C@H](C)c2ccccc2)CCCC1 661851380 UGLIVJCNLRZPEB-NVXWUHKLSA-N 273.420 3.630 30 20 CHED C=CCCC(C)(C)NC(=O)NCCC1C[C@@H](C)O[C@H](C)C1 664845337 NELIRKDMRWRITL-ZIAGYGMSSA-N 296.455 3.624 30 20 CHED C=CCC(C)(C)c1nc(-c2ncccc2OC(C)C)no1 664994968 OMJRMAWVNUFTNQ-UHFFFAOYSA-N 287.363 3.773 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(Cc2ccccc2)C1 678922002 KPZCUJWUDGAVTE-OAHLLOKOSA-N 286.419 3.615 30 20 CHED C=CCCCCNC(=O)c1cnc(OC(C)C)c(Cl)c1 681146488 ZMUSBCIPWUGCFG-UHFFFAOYSA-N 296.798 3.608 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@H](CC)C1CCCCC1 682080880 WBSASXPDROSEJR-WBVHZDCISA-N 281.440 3.690 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1c(C)nc2ccccc2c1C 684938484 BMXIAVLDLDAMFW-HNNXBMFYSA-N 296.414 3.865 30 20 CHED C=CCn1c(-c2ccccc2F)nnc1N(CC)CCC 685535339 XPTXZRGFJPWCHX-UHFFFAOYSA-N 288.370 3.507 30 20 CHED CCCCCCCNCc1c(C)nc2ccccn12 703770137 HJVXWUZMDBGAEB-UHFFFAOYSA-N 259.397 3.703 30 20 CHED CCc1ccccc1NC(=S)N(CCC#N)CC1CC1 728789924 KRNRHVBXOZHZMU-UHFFFAOYSA-N 287.432 3.571 30 20 CHED C=CCCOC(=O)CCCOc1ccc(Cl)cc1 729072205 CJENIMGIOIMXIL-UHFFFAOYSA-N 268.740 3.618 30 20 CHED C(=NNCCCc1ccccc1)c1cc2ccccc2o1 729146479 YZFAAZSIPYTBSA-UHFFFAOYSA-N 278.355 3.989 30 20 CHED CCCCNN=C(C)c1ccccc1OC(F)(F)F 730947648 BFERHWJIEPQFAL-UHFFFAOYSA-N 274.286 3.699 30 20 CHED C#CCOc1ccc(NC(=O)C[C@@H](CC)C(C)C)cc1 730980870 VZMRVGCCIBRGFJ-CQSZACIVSA-N 273.376 3.709 30 20 CHED C[C@H](OC(=O)CC[C@H]1CCCCO1)c1cccc(C#N)c1 732501902 FDCCUTTYAAXACS-XJKSGUPXSA-N 287.359 3.512 30 20 CHED Cc1cc(C)cc(NN=C2C(=O)Nc3c(F)ccc(C)c32)c1 732711541 PEIOOTBDGFVZBK-UHFFFAOYSA-N 297.333 3.519 30 20 CHED CC(=NNCc1cc(F)ccc1F)C1CCCC1 733076487 RFGXTDOVYDAYTO-UHFFFAOYSA-N 252.308 3.621 30 20 CHED Clc1nccnc1NN=C1CCCCc2ccccc21 733078646 HQIFUJQXELPMGN-UHFFFAOYSA-N 286.766 3.673 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H](C)CC1CCCC1 733954137 UAWKMJNAAZYQFL-AWEZNQCLSA-N 264.413 3.601 30 20 CHED C#CC(C)(C)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 733979195 UVENCRZAKFDONW-QWRGUYRKSA-N 296.197 3.625 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc(O)c(F)c2)c1 734979861 DQMUXIGTHHMINL-ZZXKWVIFSA-N 274.266 3.875 30 20 CHED C=C(C)CNC(=S)NCCCc1ccc(C(C)C)cc1 734983992 QUTQOTODPSWBGD-UHFFFAOYSA-N 290.476 3.783 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@@H](CC)CC2)c1 735241294 ARXWAKCNDRPMBH-CQSZACIVSA-N 286.444 3.877 30 20 CHED COc1ccc(CCNN=Cc2ccc([C@H]3C[C@H]3C)o2)cc1 737440184 XPKKQVKKEVIYNJ-DYVFJYSZSA-N 298.386 3.578 30 20 CHED Cc1cccc(C)c1CON=Cc1cccc(F)c1 738290368 ZFTWZIVJBQNFBL-UHFFFAOYSA-N 257.308 3.993 30 20 CHED CCO[C@H]1CC(=NNc2ccc3ccccc3n2)C12CCC2 741160109 JVBYTURJBYELNC-INIZCTEOSA-N 295.386 3.982 30 20 CHED CSc1ccc(C(C)=NNC2CCCC2)cc1F 741764747 WZWVHOQWQRZPSA-UHFFFAOYSA-N 266.385 3.804 30 20 CHED CC#CCOC(=O)CCCc1ccc(Cl)c(Cl)c1 744817884 SXAYHJHRUNHYKK-UHFFFAOYSA-N 285.170 3.883 30 20 CHED CC(=NNc1ccc(Cl)nn1)C1C(C)(C)C1(C)C 746558466 NEHGSCNXGZTIMP-UHFFFAOYSA-N 266.776 3.600 30 20 CHED C=CCCCC(=O)OCc1csc(CCCC)n1 748239383 FVTPGHSHZCZABZ-UHFFFAOYSA-N 267.394 3.885 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)C[C@@H]1CCOC1 749566080 WDUAGMWNNZWJFJ-HOTGVXAUSA-N 298.471 3.661 30 20 CHED C#Cc1cccc(NC(=O)C[C@H]2CCC[C@@H](C)C2)c1 749785776 LEIHWABACSZCRE-HIFRSBDPSA-N 255.361 3.823 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cccc(O)c1 750938647 KVMYQNPWFIHDLE-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C=CCCOC(=O)C[C@H](C)c1ccc(F)cc1F 751863619 SHBATZOKSAHLKI-JTQLQIEISA-N 254.276 3.578 30 20 CHED C#C[C@H](CC)NC(=O)N(Cc1ccccc1)CC(C)(C)C 753258327 BDKARVOFNDAUMV-MRXNPFEDSA-N 286.419 3.656 30 20 CHED C#C[C@H](CC)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 754390717 ZPBHFUGWSLXOJD-WXHSDQCUSA-N 296.197 3.625 30 20 CHED CCCCCCCCNC(=O)CCC1CCOCC1 754842676 SESQKSVDCYFEMH-UHFFFAOYSA-N 269.429 3.670 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)Oc2ccccc21 755600642 JJDDHJSNJXJUDW-VGOFMYFVSA-N 258.223 3.581 30 20 CHED COc1cc(F)cc(NN=Cc2cn(C)c3ccccc23)c1 755770291 XXQKADXNBWHKTD-UHFFFAOYSA-N 297.333 3.772 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccccc1Cl 755818864 USZMFEAGMXYYDI-ZDUSSCGKSA-N 253.729 3.607 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1F 756265327 GXPGBSLOIHDQMW-WAPJZHGLSA-N 269.250 3.733 30 20 CHED CCCCCCCCCNC(=O)N(C)[C@@H]1CCSC1 756659048 MWCMBRVBCXNTPI-CQSZACIVSA-N 286.485 3.884 30 20 CHED O=C(/C=C\c1ccccc1C1CC1)c1ccc(O)cc1O 757472104 LDRNUUKJVNOGIF-YFHOEESVSA-N 280.323 3.871 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccccc1O 757476638 XSFPAOYLNQHCSP-HJWRWDBZSA-N 260.239 3.567 30 20 CHED Fc1cccc(-c2ccc(C=NNC3CC3)s2)c1 758126680 MZXUCCMJDATXMW-UHFFFAOYSA-N 260.337 3.640 30 20 CHED C#CCCCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C 759156982 OFXUOBZSJZAJSZ-APWZRJJASA-N 283.415 3.866 30 20 CHED CCCC[C@@H]1CCCC1=NNc1ncccc1[N+](=O)[O-] 759203653 SLBYFELNQQOIAG-LLVKDONJSA-N 276.340 3.748 30 20 CHED C#CCOc1cccc(-c2noc([C@H]3CC34CCCC4)n2)c1 761781393 GUKJTOHNVOJNEO-OAHLLOKOSA-N 294.354 3.796 30 20 CHED CCCC(C#N)(CCC)NC(=O)C=C1CCCCC1 762608060 XXDVFEJXNLCHSF-UHFFFAOYSA-N 262.397 3.856 30 20 CHED C[C@@H](OC(=O)C1Cc2ccccc2C1)c1ccc(C#N)cc1 763048849 BEQSULCGJGXHFH-CYBMUJFWSA-N 291.350 3.577 30 20 CHED C#CCCCOC(=O)c1c(Cl)cc(F)cc1Cl 763542814 DLQBRIRYAQGQIF-UHFFFAOYSA-N 275.106 3.703 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C/C(=C/C)CC 765655170 LCPDJZADYXXATK-XQCUBCESSA-N 287.334 3.689 30 20 CHED Cc1ccc(C=NNc2cncc(Cl)n2)cc1Cl 766433700 ICAUHXOZVTXOHQ-UHFFFAOYSA-N 281.146 3.538 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ccccc1[N+](=O)[O-] 767012785 UZRGFVYDGBDRBF-UHFFFAOYSA-N 299.330 3.748 30 20 CHED COc1cc(OC(=O)C[C@H]2CCC[C@@H](C)C2)ccc1C#N 767154244 OBVMLRYAHPPPPU-OLZOCXBDSA-N 287.359 3.689 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(N)cc1 769839708 GARZGAHIRFQPII-UHFFFAOYSA-N 257.312 3.552 30 20 CHED CC1(C)Cc2cc(NCc3cc(C#N)cs3)ccc2O1 770603619 ZRTRFBSIVXZRFA-UHFFFAOYSA-N 284.384 3.945 30 20 CHED Cc1cc(F)ccc1C(=O)OC[C@H](C#N)Cc1ccccc1 771622133 QHILBOOCHRVEPF-HNNXBMFYSA-N 297.329 3.673 30 20 CHED O=C(O)c1cc(NN=C2CC3(CCC3)C2)ccc1Cl 772831492 VWKMXNUCPQHHTA-UHFFFAOYSA-N 278.739 3.770 30 20 CHED C=Cn1cc(C=NNc2ccc(Cl)cc2Cl)cn1 773020272 YSWHTNXITMINQU-UHFFFAOYSA-N 281.146 3.736 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1sccc1O 773142925 ITNTYMXAMJHCAG-SNAWJCMRSA-N 266.268 3.628 30 20 CHED C=C(CC)COC(=O)c1cc(Cl)nc(Cl)c1 773518364 JWDBAMVHBIOXIW-UHFFFAOYSA-N 260.120 3.511 30 20 CHED C#CCCCCC(=O)O[C@@H](C)C(=O)c1ccc(C)c(C)c1 773649021 RBUDBUWLRUSSLG-HNNXBMFYSA-N 286.371 3.611 30 20 CHED CC#CCNc1ccc(Cl)cc1[C@H](O)c1ccccc1 776207339 MPHBOSDYPPAJHD-QGZVFWFLSA-N 285.774 3.857 30 20 CHED C=CCOc1ccc(CNCc2ccc(Cl)cn2)cc1 776254359 CJVCSQPTUFLKJK-UHFFFAOYSA-N 288.778 3.590 30 20 CHED O=C1/C(=C\c2nc3c(s2)CCCC3)COc2ccccc21 776263733 DITSOWCATGGFLL-LUAWRHEFSA-N 297.379 3.681 30 20 CHED C=CCc1ccc(OC(=O)[C@H]2CC[C@@H](C)C2)c(OC)c1 776289896 BZFOTXLBUIRHLH-OCCSQVGLSA-N 274.360 3.765 30 20 CHED Clc1ccnc(NN=Cc2coc3ccccc23)c1 777906495 BILROJZLPAAWTK-UHFFFAOYSA-N 271.707 3.927 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(F)cc2OCC#N)C1 779608523 CFOLZHIQTFELHY-IMRBUKKESA-N 276.355 3.965 30 20 CHED COc1cccc(NN=C(C)c2ccc(SC)cc2)n1 779817783 RYYYCWSQTOTHFT-UHFFFAOYSA-N 287.388 3.648 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 779904170 VRGLPAHOQDDTSN-CVEARBPZSA-N 263.425 3.901 30 20 CHED CCCCCC[C@@H]1CCCC1=NN[C@H]1CCCOC1 780262716 PTOZNBAWDNFVHP-CABCVRRESA-N 266.429 3.882 30 20 CHED C[C@@H]1CCC(=NNc2ncncc2Cl)c2ccccc21 780279742 PFLUNPSXIWSJKY-SNVBAGLBSA-N 286.766 3.844 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N(CC)C[C@@H](C)C#N 780378154 YQCIYYXJOMSIEG-GOEBONIOSA-N 266.429 3.991 30 20 CHED CC(C)CNN=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]12 781124292 CYGQYKNCAVFUSS-MSOLQXFVSA-N 299.462 3.520 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccccc1CCC(F)(F)F 781197508 TURMQCQGTUNTCO-NSHDSACASA-N 285.265 3.640 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccc2c(c1)CCO2 782322679 HPXAGQVKSYOHDH-XQRVVYSFSA-N 297.379 3.852 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)Oc2ccc(F)cc21 782329998 VMEVRBZOTAGOTP-SDQBBNPISA-N 287.315 3.776 30 20 CHED CC(C)(C)CCNN=Cc1cc(F)cc2cccnc12 782908663 YCMRHZCSWDZWBL-UHFFFAOYSA-N 273.355 3.734 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C#N)cn1 783301056 SNAOJRXZBAXSNW-SGTLLEGYSA-N 295.361 3.506 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2cc(C)nc(C)n2)C1 783826932 IOEJZNPGJQVELB-ZIAGYGMSSA-N 260.385 3.708 30 20 CHED N#CCCCN1CCCCc2c(Br)cccc21 784304752 WNMDKBNGEYNWJY-UHFFFAOYSA-N 293.208 3.896 30 20 CHED C#CCC1(C(=O)O[C@@H]2COc3ccccc32)CCCCC1 788454626 UKNHNFLKJQNUSZ-MRXNPFEDSA-N 284.355 3.637 30 20 CHED COc1cc(NN=Cc2ccc(F)cc2)ccc1Cl 788472000 NHBODKZLFMTQAT-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccc3c(=O)[nH]ccc3c2)C1 789084690 BPDQLXONVIRFJT-STQMWFEESA-N 283.375 3.752 30 20 CHED Cc1ccc(C(=O)OCC2(C#N)CCC2)c(F)c1Cl 789479933 MGBHJYTYKWXTBU-UHFFFAOYSA-N 281.714 3.638 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(SC2CCCC2)cc1 789844109 JHSORKUNHFPQPN-LBPRGKRZSA-N 288.416 3.865 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccc(C)cc2C)CCC1 791558360 LTIWTQQYKBLYHR-UHFFFAOYSA-N 286.371 3.776 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc2cccnc2c1 791850754 RQBVQPFSBYTEDP-INIZCTEOSA-N 255.317 3.743 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCC3(CC2)CC3)c1 792635876 XZBSADLXCYZHAN-UHFFFAOYSA-N 274.755 3.729 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(C#N)c(F)c1 793163053 WPWXBEXCIFGXBH-UHFFFAOYSA-N 288.713 3.582 30 20 CHED COc1ccc2cc(C=NOCCSC)ccc2c1 794571748 GSQVBNHYBKDZOP-UHFFFAOYSA-N 275.373 3.562 30 20 CHED C=CCOc1ccc(C=NOCCSC)cc1Cl 794573678 HKKDZEHNFRPZSM-UHFFFAOYSA-N 285.796 3.618 30 20 CHED CSCCON=C1C[C@H](OCc2ccccc2)C1(C)C 794576907 KFHULLKLQZWTFB-HNNXBMFYSA-N 293.432 3.737 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccnc(F)c1 794720452 ROYVKCGCHJRAQE-ZZXKWVIFSA-N 293.244 3.718 30 20 CHED C[C@H]1CSCC1=NNc1cccc(Br)c1 794886510 LUBDAKRBMKCLLN-QMMMGPOBSA-N 285.210 3.600 30 20 CHED COc1ccc(NN=C2CCC[C@@H]2CCF)c([N+](=O)[O-])c1 794920790 SOYYPMTZNAHFOX-SNVBAGLBSA-N 295.314 3.531 30 20 CHED CCC[C@@H](Nc1nccc(C)c1C#N)[C@H](O)c1ccccc1 795210649 XBAWPVHVTOQIQC-IAGOWNOFSA-N 295.386 3.576 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Oc1ccc(C#N)cc1F 796828502 ULHRGOVQJIORHJ-CHWSQXEVSA-N 275.323 3.819 30 20 CHED C/C(=C\Cl)CSCC(=O)Nc1ccc(CC#N)cc1 797808985 VSCJXGRTRWMVGV-DHZHZOJOSA-N 294.807 3.567 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](F)CC1CCCCC1 798550589 BUUSMNLQJPDNET-UONOGXRCSA-N 255.377 3.766 30 20 CHED Cc1ccc(NN=C2CCCC23CCOCC3)cc1 799864434 NTVOFLHGBPYSFQ-UHFFFAOYSA-N 258.365 3.744 30 20 CHED CSc1ccccc1CSCCO[C@H](C)C#N 802750966 FKEFXPDBEFESLP-LLVKDONJSA-N 267.419 3.570 30 20 CHED Cc1ccc([C@H](C)NC(=O)CCCCCC#N)s1 805168778 NNHGLFPKJAZAJC-LBPRGKRZSA-N 264.394 3.708 30 20 CHED C/C(=C\C(=O)NCC(C)(C)CCC#N)c1ccccc1 805280209 CQOTWVNHPBRBBN-WYMLVPIESA-N 270.376 3.536 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCCSC1 807723938 UVEZTUXWQFWJGK-ZDUSSCGKSA-N 257.443 3.606 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(C(C)(C)O)cc2)c1 807977273 YXMONHADZNPUCX-UHFFFAOYSA-N 286.350 3.808 30 20 CHED C=CCCCCOC(=O)c1c(C)noc1C(C)C 811009579 YUKPXGMEUVRNNZ-UHFFFAOYSA-N 251.326 3.620 30 20 CHED CC(=NNc1ccc(C)cn1)c1nccc2ccccc12 811641268 UUZCGHHXGKAXPI-UHFFFAOYSA-N 276.343 3.774 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1c[nH]c2ccccc12 811668187 LKUWEVSOHJBDRB-CQSZACIVSA-N 293.370 3.559 30 20 CHED Cl/C=C/CON=Cc1cnn(-c2ccc(Cl)cc2)c1 811671854 LFPQGXLBQHLHRG-PXAXFQINSA-N 296.157 3.629 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(C)c2C)cc1O 811696861 AMWRSCNVUUGOOY-CLFYSBASSA-N 282.339 3.914 30 20 CHED CC[C@@H](/N=C/c1c(O)cccc1OC)c1ccc(OC)cc1 812396190 MLNCWNAEMBVKNN-PUMYGXPMSA-N 299.370 3.980 30 20 CHED CC1(C)CCCC[C@H]1NN=C1CCO[C@H](C(F)(F)F)C1 814918018 YPLSNPDUKCDGPU-NEPJUHHUSA-N 292.345 3.642 30 20 CHED Cc1nc(C(C)C)ccc1COC(=O)c1ccc(C#N)cc1 815173104 GERUBPVVTIZEQT-UHFFFAOYSA-N 294.354 3.742 30 20 CHED C=CCC(F)(F)C(=O)OCc1nc(Cl)ccc1Cl 815314931 MIDPCIAQCPSZBY-UHFFFAOYSA-N 296.100 3.643 30 20 CHED O=C(/C=C/c1ccsc1)c1ccc([N+](=O)[O-])cc1F 821009277 YRWOYUDJWJCPPF-DAFODLJHSA-N 277.276 3.692 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc[nH]2)CCCCC1 827483382 HBGMFHKHUKVMEL-CYBMUJFWSA-N 260.381 3.719 30 20 CHED N#Cc1ccccc1SCc1ccc(C(=O)O)s1 833077072 XPBXSUJGPPTMGA-UHFFFAOYSA-N 275.354 3.610 30 20 CHED C#CC[C@@H](OC(=O)[C@@H]1CC12CCSCC2)C(C)(C)C 835302198 JCJHHKOEECWTAO-QWHCGFSZSA-N 280.433 3.501 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1C(=O)C#CC(C)(C)C 837692617 RIAZXXJFZDIMOR-MRXNPFEDSA-N 287.378 3.847 30 20 CHED N#CC1(CCOC(=O)c2coc(C3CC3)n2)CCCCC1 840523148 BVTIRKAOQVALLC-UHFFFAOYSA-N 288.347 3.573 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cn(C(C)C)nc1C)C2=O 840722454 HYYQHGUYJOWWLG-LZYBPNLTSA-N 294.354 3.543 30 20 CHED C=CC(C)(C)C(=O)Oc1ccc(Cl)c(F)c1F 841315922 JBBSNIAHOQIALY-UHFFFAOYSA-N 260.667 3.736 30 20 CHED CCC[C@@H](C(=O)Oc1cccc(OCC#N)c1)C(C)C 841346430 YUOKMSHKNDDUIJ-OAHLLOKOSA-N 275.348 3.567 30 20 CHED CCc1ccc(CN(CC(C)C)C(=O)C#CC2CC2)cc1 843955099 BUEMCYMPPJDZIY-UHFFFAOYSA-N 283.415 3.647 30 20 CHED C=CC[C@@H](C(=O)OCc1cc(C2CC2)n[nH]1)c1ccccc1 848011241 FDTFBYMVESZQQK-MRXNPFEDSA-N 296.370 3.690 30 20 CHED CC(C)Cc1nc(C(=O)O[C@H](C)CC(C)(C)C#N)cs1 851210990 XMDPKOHPFBCMHF-LLVKDONJSA-N 294.420 3.827 30 20 CHED Cc1ccc(F)cc1NN=C1CCCC12CCOCC2 853394113 YIIQCZLTGYVFQY-UHFFFAOYSA-N 276.355 3.883 30 20 CHED C/C(=C/Cl)CSc1nc(C#N)c(Cl)s1 853566269 FRRTURZUSUPYOD-DJWKRKHSSA-N 265.190 3.903 30 20 CHED C=CC[C@@H](NC(=O)NCCCC1CCC1)c1ccncc1 853746271 HNSUIPFPLASRDQ-MRXNPFEDSA-N 287.407 3.578 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(F)c(C(=O)CC)c1 856374151 PXGFDKARIGWSJY-UHFFFAOYSA-N 291.366 3.893 30 20 CHED Cc1cccc(NN=C(C[C@H]2CCOC2)c2ccccc2)n1 863160202 UXICVTWNFFPUAJ-OAHLLOKOSA-N 295.386 3.633 30 20 CHED N#CCC1(COC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 869598759 VVELLBZEAYDXBD-WDEREUQCSA-N 289.297 3.592 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc2cnccc12 878060666 KTSDXSWHCHUZJJ-UHFFFAOYSA-N 254.333 3.776 30 20 CHED C=CC(C)(C)CC(=O)Nc1[nH]nc(-c2ccncc2)c1CC 878437602 XREPASNGPYHZAC-UHFFFAOYSA-N 298.390 3.575 30 20 CHED CC(C)(C)SCCCN1CCC[C@H](CC#N)C1 878886592 MSZQZRHPBOMMAY-CYBMUJFWSA-N 254.443 3.534 30 20 CHED C[C@H](c1ccccc1)N1CCN(CCCC(C)(C)C#N)CC1 880248703 XNVGYAVIEFQROT-QGZVFWFLSA-N 299.462 3.695 30 20 CHED C=C1CCC(C(=O)NCc2cc(-c3ccccc3)on2)CC1 888689319 VVNOMRDHUYXQBC-UHFFFAOYSA-N 296.370 3.704 30 20 CHED Cc1nc2c(s1)CN(c1nc(C(C)(C)C)ccc1C#N)C2 894907673 RWIBAPWJALJJGA-UHFFFAOYSA-N 298.415 3.536 30 20 CHED Cc1ncc([C@H](C)Nc2ccc(C#N)cc2C)s1 894922960 DEKRCHOTBQOHAE-JTQLQIEISA-N 257.362 3.805 30 20 CHED Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cnc1F 894964494 SEILGGMGKRPZKV-KRWDZBQOSA-N 295.361 3.568 30 20 CHED O=C1/C(=C/c2cnn(CC3CCC3)c2)Cc2c(F)cccc21 899350658 LAQJMIAUJQFHOE-VGOFMYFVSA-N 296.345 3.645 30 20 CHED CCn1c(C)nnc1SCCCCC1(C#N)CCC1 901483841 OGALCMGXWVDWBC-UHFFFAOYSA-N 278.425 3.563 30 20 CHED N#CC1(CN[C@@H]2CCSc3c(Cl)cccc32)CC1 903107061 ZRCTYGQHLNJICF-GFCCVEGCSA-N 278.808 3.770 30 20 CHED C=C[C@H](CC)Cc1nc(-c2ccc(SC)cn2)no1 904091982 RGBZWDZOAQHLRM-SNVBAGLBSA-N 275.377 3.608 30 20 CHED N#CC1(CCCCOC(=O)/C=C/c2cccc(O)c2)CCC1 909060057 XZRRNWKAQBRRQU-BQYQJAHWSA-N 299.370 3.813 30 20 CHED C=C1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 912445015 DSOXFHXSFLBESA-UHFFFAOYSA-N 295.304 3.526 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2cccc(C)c2)c1 912787282 ASQQDCKWYBFQLY-PDGQHHTCSA-N 269.344 3.718 30 20 CHED CCC1CCC(N(C)C(=O)/C=C\c2ccccc2C#N)CC1 914492675 ALCOPLMOFHNAAJ-RAXLEYEMSA-N 296.414 3.999 30 20 CHED C=CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(C)C 914683181 JOKXZVGJUWZSCB-UHFFFAOYSA-N 286.202 3.959 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 917142514 FZBJHLTYLMHVOO-RJRFIUFISA-N 295.266 3.831 30 20 CHED C(=NOCc1ccccc1)c1cnc(-c2ccccc2)nc1 917545332 AAUGUQFDAYBWAH-UHFFFAOYSA-N 289.338 3.694 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ncccc1Cl 917546608 RRZKXMBIXSVYRH-UHFFFAOYSA-N 289.766 3.888 30 20 CHED COc1cccc([C@@H](C)/N=C\c2cccc(OC)c2O)c1 917558751 XGIDRARVEFTQPI-OTWJJXBCSA-N 285.343 3.590 30 20 CHED CCCCCCCOC(=O)[C@H]1CCCCN1C(=O)CCC 919618348 ZQRMYIOFHMTBKW-OAHLLOKOSA-N 297.439 3.681 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 920827092 URQXCHHRKDNGKW-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C=C(C)CCc1noc([C@@]2(c3ccccc3)CCCO2)n1 924066735 FSLGJSDIORKZEQ-KRWDZBQOSA-N 284.359 3.632 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1c[nH]c2ccccc12 924536512 ZPGSGOAYKNFOHD-CYBMUJFWSA-N 269.392 3.628 30 20 CHED CC(C)CSCCCN[C@H](C)CC(C)(C)C#N 925635481 VDCJYTVMYBZSDX-CYBMUJFWSA-N 256.459 3.684 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)c(OC)c(F)c1 930336421 SKSYMKPYQNISHQ-SECBINFHSA-N 269.291 3.514 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(CC1CC1)C1CCC1 930459781 XNRORGWCRMMPKW-UHFFFAOYSA-N 283.375 3.663 30 20 CHED C=C1CCN(C(=O)Nc2nc3c(s2)CCC3(C)C)CC1 931775268 UXYZZNPVQWOOOY-UHFFFAOYSA-N 291.420 3.551 30 20 CHED N#C[C@@H](NC(=O)c1ccsc1C(F)F)C1CCCCC1 934130598 OJELJPPUKXSQIZ-LLVKDONJSA-N 298.358 3.888 30 20 CHED CC(C)=CCOc1cccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c1 1122717900 PFAXQNHSEDDWRJ-RHSMWYFYSA-N 299.370 3.881 30 20 CHED CCC[C@@H](C(=O)[C@H](C#N)c1nccn1CC)c1ccccc1 1123234177 RNIXMRPYMQQQGQ-CVEARBPZSA-N 295.386 3.663 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1F 1123330144 KXMNXZAYKDRKLK-CYBMUJFWSA-N 287.338 3.660 30 20 CHED CN(C(=O)c1ccc(C2CC2)cc1)c1ccc(C#N)cc1 1126425011 HJHOJSOHOUGGLX-UHFFFAOYSA-N 276.339 3.712 30 20 CHED CSC1(CNCc2cccc(F)c2C#N)CCCCC1 1183842595 CSDRKLNVFMFNTK-UHFFFAOYSA-N 292.423 3.853 30 20 CHED CC1(C)CCC[C@@H](Nc2c(C#N)cccc2C#N)C1 1186145021 YVMCGVDCIPUNJQ-CQSZACIVSA-N 253.349 3.811 30 20 CHED CCSc1ccccc1CN1CCC[C@](C)(C#N)C1 1307602303 QIKGAAWWNGIAHY-MRXNPFEDSA-N 274.433 3.924 30 20 CHED N#Cc1cc(F)ccc1NCCOc1ccc2c(c1)CCC2 1318724000 IJLRLDLLSZTGAF-UHFFFAOYSA-N 296.345 3.677 30 20 CHED C=CCCCCNC(=O)c1cc(C)n(CC2CC2)c1C 1320366274 GXSSDIGVNALEQN-UHFFFAOYSA-N 274.408 3.601 30 20 CHED COc1ccc(F)cc1NC1CC(C#N)(c2ccccc2)C1 1320689499 CJPYVRSYYYLLGA-UHFFFAOYSA-N 296.345 3.870 30 20 CHED C[C@@H]1CCCC[C@H]1[C@@H](C)NCc1cccc(OCC#N)c1 1324601396 KLQVZKQGDNVNAL-IIDMSEBBSA-N 286.419 3.893 30 20 CHED C[C@@H]1CCc2nc(CNc3ccc(CC#N)cc3)sc2C1 1325435951 YUSLMGVHTQSHGK-GFCCVEGCSA-N 297.427 3.946 30 20 CHED C=CC(C)(C)CNC(=O)c1ccccc1OC1CCC1 1326608089 BBLWYPZWSLFMKV-UHFFFAOYSA-N 273.376 3.560 30 20 CHED C=C(C)CCOC(=O)c1ccc2cc(OC)ccc2c1 1345050981 HFSGFMBQDNSDGZ-UHFFFAOYSA-N 270.328 3.971 30 20 CHED C=CCOc1cc(OC)ccc1-c1nnc(C2CCC2)o1 1346034259 NJPSXQINYONBLH-UHFFFAOYSA-N 286.331 3.578 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)c1cscn1)c1cccs1 1346401114 MJXDUHSUZCSFGA-CABZTGNLSA-N 292.385 3.652 30 20 CHED C[C@H](CC(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1347125655 WXICFVVDTUSVMQ-TZMCWYRMSA-N 282.318 3.591 30 20 CHED CCCc1ccc(C(=O)NCc2cccc(C#N)c2)s1 1352771674 FZVMXPYQPATTQP-UHFFFAOYSA-N 284.384 3.502 30 20 CHED CCC[C@@H](CC)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 1436580164 PJMDAEFZAAIMTE-CYBMUJFWSA-N 287.407 3.698 30 20 CHED CCC[C@@H]1CCCC[C@@H]1Nc1ncc(C#N)cc1F 1458166302 QIHBGGAQCHYFMY-OCCSQVGLSA-N 261.344 3.863 30 20 CHED C=C(Cl)CN(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 1473578233 LXFQMMUMEBJQDE-KRWDZBQOSA-N 292.854 3.724 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1cccc(CC#N)c1 1533223967 SBMWFSQYEZDLDI-UHFFFAOYSA-N 282.318 3.706 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2cc(C#N)ccc2F)[C@@H]1C 1537623222 AKRNOUDVDSTQNT-UEKVPHQBSA-N 275.323 3.679 30 20 CHED CCCCC1CCC(Nc2nc(C)cc(C#N)n2)CC1 1559078979 DSTGWHILSXLFEK-UHFFFAOYSA-N 272.396 3.818 30 20 CHED CN(CCCCC1(C#N)CCC1)c1ccccc1C(=O)O 1598475817 MDWYHVQABSLPEK-UHFFFAOYSA-N 286.375 3.685 30 20 CHED C=C[C@H](Nc1ccc(-c2ccccc2)c(C)c1)C(=O)O 1609272424 PVSLYBSGKZGMKK-INIZCTEOSA-N 267.328 3.713 30 20 CHED C[C@H]1C/C(=C/c2ccc(C(=O)O)[nH]2)C(=O)c2sccc21 1609841204 NJPPBYDMLOIAOS-FZGDARCMSA-N 287.340 3.548 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H](C)c1cc2ccccc2o1 1631260037 HCVREMSYGJRTAQ-AWEZNQCLSA-N 298.386 3.935 30 20 CHED CCN(CCC1C[C@H](C)C[C@@H](C)C1)C[C@@H](C)C#N 1641631837 SVUSNFCFWMNBMW-KFWWJZLASA-N 250.430 3.930 30 20 CHED CC1(C)CN(CCOc2cccc(C#N)c2)CC(C)(C)C1 1645197541 YTANPJRMVUYCCG-UHFFFAOYSA-N 286.419 3.695 30 20 CHED N#Cc1cccc(C#N)c1NC[C@@H]1CSc2ccccc21 1651090560 XDJLQBZIJYYLMC-CQSZACIVSA-N 291.379 3.731 30 20 CHED CCc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1 1651300615 NDPVBQWKRXIGNO-UHFFFAOYSA-N 257.724 3.913 30 20 CHED Cc1cc(N(C)C[C@H](C)C2CCCCC2)ncc1C#N 1652116471 YJCVRKQKRMMCFT-AWEZNQCLSA-N 271.408 3.914 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CCCC(C)(C)C1 1657717954 XFJCIQFTAUNOSY-ZDUSSCGKSA-N 258.365 3.948 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NCc1cc(C#N)cs1 1658599973 FJRQJNAHRWLISZ-QGZVFWFLSA-N 284.428 3.977 30 20 CHED COc1ccc(CN(C)[C@H](C)CC#N)cc1C(C)(C)C 1658954736 CDYKPUCOJJVTOH-CYBMUJFWSA-N 274.408 3.727 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1csc(C(=O)O)c1 1776056782 PFMRQNCNSXAPQB-CYBMUJFWSA-N 294.420 3.729 30 20 CHED CC[C@H](NN=C(C)c1ccccc1-c1ccccc1)C(=O)O 1776067550 DIIXKJVELIANOM-KRWDZBQOSA-N 296.370 3.530 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)C[C@@H]1C 1776074955 DSAHGJVHHPHZNL-UWVGGRQHSA-N 278.327 3.748 30 20 CHED C=CC[C@H](CC(C)C)C(=O)Nc1ccc(C(=O)O)c(F)c1 1776151916 JILSFTTWBMMBCN-LLVKDONJSA-N 293.338 3.701 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC2CCC(CC)CC2)C1 1776153562 KUSWRABLLCBMRS-HTWSVDAQSA-N 293.451 3.946 30 20 CHED CCCCCCC[C@@H](C)CNc1cc(C(=O)O)ncn1 1776782305 FFUABAQRDRYUSL-GFCCVEGCSA-N 279.384 3.583 30 20 CHED N#Cc1ccc(OCCCOc2ccc(F)cc2)cc1 34651708 APFOUGOLMTUUNZ-UHFFFAOYSA-N 271.291 3.545 30 20 CHED C=CCN(CC=C)C(=O)CCSc1ccc(F)cc1 47465315 ILCCTEZRKADZET-UHFFFAOYSA-N 279.380 3.509 30 20 CHED N#CCCCOc1cccc(NCC2CCCC2)c1 50271948 QILQNZFNXFYNGI-UHFFFAOYSA-N 258.365 3.971 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1sc2ccccc2c1Cl 57292772 MCRRZTLXAXTLNI-SECBINFHSA-N 292.791 3.786 30 20 CHED Cc1ccc(CNC(=O)Nc2cc(C#N)ccc2C)s1 58452176 CIZDMCRFFCGHEN-UHFFFAOYSA-N 285.372 3.558 30 20 CHED COc1cccc(COc2cc(Cl)ccc2C#N)c1 62790188 ATZPCHJSBNVYQN-UHFFFAOYSA-N 273.719 3.799 30 20 CHED N#CCN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)C1CC1 65895085 IJZYMDUFKBQOKD-DAFODLJHSA-N 295.169 3.521 30 20 CHED CCCCCC[C@H](C)/C(O)=N/S(=O)(=O)c1ccccc1 76755602 KRKQSTRCTGKADJ-ZDUSSCGKSA-N 297.420 3.938 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 79827061 KECRIFQVCDMLIF-SECBINFHSA-N 298.173 3.761 30 20 CHED Cc1cc(F)cc(C(=O)N(CCC#N)CCC(C)C)c1 80027572 LWCWOZHOBAHYSL-UHFFFAOYSA-N 276.355 3.536 30 20 CHED N#CCCN(CCOC1CCCCCC1)Cc1ccco1 81517590 IQRIMJKBTBOLJR-UHFFFAOYSA-N 290.407 3.735 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc2ccc(Cl)cc2n1 83940372 NOXDJKNWQBBCBX-CQSZACIVSA-N 288.734 3.593 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn([C@@H](C)CC)c1C1CC1 89751162 IZHYBHGEUMPVMO-ZDUSSCGKSA-N 289.423 3.770 30 20 CHED C=CC[C@@H](C)NC(=O)COc1ccccc1[C@@H](C)CC 116863161 ZJKWICQWOKFGHU-UONOGXRCSA-N 275.392 3.660 30 20 CHED N#CCC[C@@H](C#N)COc1cccc(Cl)c1Cl 119251456 GGIMMZFRDAZGLV-VIFPVBQESA-N 269.131 3.816 30 20 CHED CC#CCN[C@H](C)c1sc(-c2ccccc2)nc1C 119407773 OFQAZMVGACANBY-GFCCVEGCSA-N 270.401 3.792 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(Cl)c1 120726459 RNPUUAREQLIQQQ-CYBMUJFWSA-N 285.174 3.661 30 20 CHED Cc1cc2occ(CC(=O)NC3(C#N)CCCC3)c2cc1C 121979419 NFMOPRMBAOXKJC-UHFFFAOYSA-N 296.370 3.545 30 20 CHED Cc1ccc2c(CC(=O)NC3(C#N)CCCC3)coc2c1C 121979618 LQSMJBHVGPJPEO-UHFFFAOYSA-N 296.370 3.545 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 123577595 FQOZQDAODUBWQG-QWHCGFSZSA-N 298.308 3.617 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(OC)cc2)no1 124509083 HIPUMYNLNFBAPC-UHFFFAOYSA-N 270.332 3.981 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2C)c1 125852093 SDQKJOFKXCQBQU-CJNGLKHVSA-N 270.376 3.710 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2ccc(C#N)cc2)c1 129983140 FJFCKFNYEGIGSG-CYBMUJFWSA-N 264.328 3.609 30 20 CHED Cc1cccc(C)c1CNCc1ccc(O[C@@H](C)C#N)cc1 132138007 YCBAWJDQZXRZEZ-INIZCTEOSA-N 294.398 3.884 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 132188370 MLHBCMUYCSJLHJ-OWCLPIDISA-N 271.404 3.851 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F 134010996 BDQXMMVJKTWNFZ-DOMZBBRYSA-N 291.341 3.705 30 20 CHED CCOCCC1(CNCc2ccc(C#N)s2)CCCC1 151874587 UZTJYSNDPIZZPK-UHFFFAOYSA-N 292.448 3.696 30 20 CHED CCn1nccc1/C=C1/COc2ccc(C(C)C)cc2C1=O 152640652 JIJMDFOTRBEBJU-ZROIWOOFSA-N 296.370 3.685 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc(C)cc2C)CC1 153016413 VQIBZWHWZQETGQ-QGZVFWFLSA-N 286.463 3.995 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 156211839 YSHQNROARKQSDA-CQSZACIVSA-N 278.783 3.763 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)c1cnn(C)c1 159141618 RCJONTISOZVHSB-CQSZACIVSA-N 279.428 3.738 30 20 CHED CC(C)C[C@@H](/N=C/c1ccccc1O)C(=O)OC(C)(C)C 159851109 LSSMAOGBCAJAHX-XWAFYUISSA-N 291.391 3.568 30 20 CHED N#Cc1cccc(C(=O)CSc2nc3ccccc3o2)c1 160520794 WLTSPYXCFJUPKO-UHFFFAOYSA-N 294.335 3.674 30 20 CHED N#C[C@H](NC(=O)c1ccc(F)c(Cl)c1)C1CCCCC1 164316588 BKBNCIPGYLPGAP-AWEZNQCLSA-N 294.757 3.681 30 20 CHED C=C(C)CCOc1cc(Br)ccc1C(C)=O 168003927 YWXANQHOVRAIPT-UHFFFAOYSA-N 283.165 3.997 30 20 CHED CC(=O)Nc1cccc(CSc2ccccc2C#N)c1 173720229 ZRYWCJGONQSDQE-UHFFFAOYSA-N 282.368 3.809 30 20 CHED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCC1 174906733 AHRQGJSRJXJGMY-UHFFFAOYSA-N 271.364 3.504 30 20 CHED CC[C@@H](C#N)OC(=O)CCSc1ccc(C)c(C)c1 176021513 PSZRQYDLPLJGCH-ZDUSSCGKSA-N 277.389 3.631 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 177026593 JTWDLINCORUINT-JKSUJKDBSA-N 273.351 3.566 30 20 CHED CCC(CC)CN(CCC#N)Cc1c(C)nn(C)c1Cl 177032374 XTDCARIQXVAEGB-UHFFFAOYSA-N 296.846 3.534 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)CC2CCCCC2)cc1 179936566 RSRWYHFMAVZNSW-OAHLLOKOSA-N 286.419 3.990 30 20 CHED N#Cc1ccc(CN2CCc3ccc(Cl)cc3C2)s1 180149831 LRASBUBMDKNDRJ-UHFFFAOYSA-N 288.803 3.831 30 20 CHED C=CCC[C@@H](NC(=O)COC(C)(C)C)c1ccccc1 183386116 LCMKNWMPJBDVPU-OAHLLOKOSA-N 275.392 3.625 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc2ccc(C)nc12 185644319 BHKISXRLFBULPI-UHFFFAOYSA-N 266.344 3.531 30 20 CHED C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 185845513 SXACRZXZJIOVKV-HLLBOEOZSA-N 294.402 3.605 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 185879628 UFENXRGTXUQQKT-DUVNUKRYSA-N 288.366 3.711 30 20 CHED Cc1ccnn1-c1ccccc1N[C@@H]1CCC[C@H](C#N)C1 185897728 AQYYWBYZQWLHCU-LSDHHAIUSA-N 280.375 3.675 30 20 CHED CCOc1cccc(/C=N/CC2(OC)CCCCC2)c1O 186844328 SGBXILDUUWHIGV-LDADJPATSA-N 291.391 3.559 30 20 CHED C=CCC[C@H](O)CNC(C)(C)c1cccc(Cl)c1F 186889177 KFRDLDWDVSGJQZ-NSHDSACASA-N 285.790 3.631 30 20 CHED C=CCC1(C(=O)Nc2ccc(N(C)C)c(C)c2)CCC1 188524918 YPEVXQVWSOYBJH-UHFFFAOYSA-N 272.392 3.746 30 20 CHED C=CCC[C@@H](NC[C@H]1CCC=CO1)c1ccccc1 188575803 AYEWVIBZKMWFFY-IAGOWNOFSA-N 257.377 3.976 30 20 CHED C#CCCCCC(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 188648521 NOZUWCXBHURSHQ-QGZVFWFLSA-N 287.359 3.716 30 20 CHED CCCCCCCC[S@](=O)Cc1cc(C)on1 190758807 IZOCVFVVLGEYDP-KRWDZBQOSA-N 257.399 3.592 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)c1cnn(C)c1C 192891681 QHPWQDAOWVMWMY-ZDUSSCGKSA-N 279.428 3.656 30 20 CHED CCC(=O)Nc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 193110837 NVHDSVBUNRDYRL-SWLSCSKDSA-N 271.364 3.529 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)c(C)c1 214176068 CVIIMJVCIZUNLE-DAXSKMNVSA-N 294.350 3.971 30 20 CHED N#Cc1cc(F)cc(N[C@@H]2CCc3ccccc3C2)c1 227615788 QBMAJPZTKFIENQ-MRXNPFEDSA-N 266.319 3.667 30 20 CHED N#Cc1ccc(NCC2CCCC2)cc1Br 228177906 PJFFKLFGCPEKFU-UHFFFAOYSA-N 279.181 3.923 30 20 CHED C=CCC[C@@H](C)NCC1CCN(C(=O)OC(C)(C)C)CC1 230660260 DFNYILTUXANYMS-CQSZACIVSA-N 296.455 3.578 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1 245417835 AGQJBMLREDSZIJ-ZSHCYNCHSA-N 282.387 3.862 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)cc1 250264160 WDBDMVNXCTVCNB-IRXDYDNUSA-N 254.377 3.570 30 20 CHED CC(=NOCc1c(C)noc1C)c1cc2ccccc2o1 255036216 GPMZQLHMDXFBGD-UHFFFAOYSA-N 284.315 3.978 30 20 CHED CCc1cccc(N/C(N)=N/Cc2ccc(C)s2)c1 261968184 CEEFUZCNABZCQA-UHFFFAOYSA-N 273.405 3.546 30 20 CHED N#CCCCCN(CCc1ccc(F)cc1)C1CC1 265453499 SXPYTWVYAMOOFL-UHFFFAOYSA-N 260.356 3.526 30 20 CHED CC(C)[C@@H]1CCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 269618275 OXPBAAVJOLJTEF-IRXDYDNUSA-N 299.418 3.861 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(F)ccc1Cl)OCC 270061581 OYIJOAJQKCUAPF-ZDUSSCGKSA-N 285.746 3.789 30 20 CHED C#CC[C@@H](NCc1cccc(OCC)c1)c1ccccc1 270256370 VGPXADSRMNLHFK-LJQANCHMSA-N 279.383 3.940 30 20 CHED C=C(C)[C@@H](Cc1nc([C@@H](C)c2cccs2)no1)OCC 273849885 KEDXJUJWFOGEMU-NWDGAFQWSA-N 292.404 3.807 30 20 CHED C[C@@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 274312343 IMCNJNKHXMPIMP-SJCJKPOMSA-N 290.382 3.764 30 20 CHED C[C@H](CCC#N)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 276285194 GNNSCROVHXTLFG-UMVBOHGHSA-N 260.356 3.696 30 20 CHED CCN(C[C@@H]1CCSC1)[C@H](C)c1ccc(C#N)cc1 278374524 CBUJBFVYTAIHAA-HIFRSBDPSA-N 274.433 3.694 30 20 CHED CCC[C@@H](CCc1ccccc1)NC(=O)CC(C)(C)C#N 278420903 XMTUIPJESPRBPR-INIZCTEOSA-N 286.419 3.844 30 20 CHED N#Cc1ccc(S[C@H]2CC[C@@H](C#N)C2)c(Cl)c1 278642194 VISLJPRIENDTFW-KOLCDFICSA-N 262.765 3.996 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nccn1C(F)F 279275524 JQYSREZVZQHMFB-UHFFFAOYSA-N 291.345 3.857 30 20 CHED N#CCCN(Cc1cccc(C(F)F)c1)CC1CC1 279715263 LPEYFYBETWXXSM-UHFFFAOYSA-N 264.319 3.750 30 20 CHED C[C@H]1Cc2ccccc2N1CCCC1(C#N)CCOCC1 281148649 BESVUUDBVMLFAL-HNNXBMFYSA-N 284.403 3.538 30 20 CHED N#CCC[C@H](C#N)CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 281994921 ILMCBAHGWADLRE-ATZDWAIDSA-N 291.398 3.750 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCC=C(c2ccccc2)C1 284735496 AUMBPCOIWFGJSW-IBGZPJMESA-N 299.414 3.531 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc(-c2cccs2)cs1 287168605 QRRYNUBYBPXCNU-CYBMUJFWSA-N 291.401 3.750 30 20 CHED COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1O 289849060 RANYWXRWRLWRRY-CHWSQXEVSA-N 296.370 3.684 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2cc(C)cc(F)c2)no1 290138878 OWZKCHHFTZPJOP-INIZCTEOSA-N 290.338 3.664 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nccc2ccccc12 290608258 HSNLFNNKUCQRSF-GMBSWORKSA-N 296.414 3.867 30 20 CHED C=CCCCCNC(=O)CCc1ccc2ccccc2n1 291586463 CYTHIPWBLAXKIK-UHFFFAOYSA-N 282.387 3.640 30 20 CHED C=C(Cl)CN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 292031321 DJVPKXMYPUMZJQ-DOMZBBRYSA-N 283.774 3.636 30 20 CHED C=CCN(CCC#N)C(=O)Nc1c(C)cc(C)cc1C 292899544 WANPNUHFVPVZHX-UHFFFAOYSA-N 271.364 3.545 30 20 CHED Cn1cc(CN2CC3(CCC3)[C@H]2c2ccccc2)cc1C#N 294094237 ZTDPYMLZAPERCJ-GOSISDBHSA-N 291.398 3.624 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(OCCCC#N)c1 294522441 QLFFVUQIOBQSDX-UHFFFAOYSA-N 272.348 3.520 30 20 CHED N#Cc1c(Cl)nsc1NCCOC1CCCCCC1 301268871 GGFHSLYHELLKAS-UHFFFAOYSA-N 299.827 3.819 30 20 CHED CO[C@H](CNc1ccc(C#N)c(Cl)c1)C(C)(C)C 301424726 KRWFOZCHMKPAEA-CYBMUJFWSA-N 266.772 3.685 30 20 CHED N#Cc1cccc(N(Cc2ccc(Cl)cc2)C2CC2)n1 301512736 IXOKSNJFARUEKB-UHFFFAOYSA-N 283.762 3.776 30 20 CHED CO[C@H]1CC[C@H](Nc2c(C#N)cnc3c(C)cc(C)cc23)C1 302766165 LLUKMEYGZUEVQQ-GJZGRUSLSA-N 295.386 3.703 30 20 CHED CN(Cc1ccc(F)cc1Cl)c1c(C#N)cccc1C#N 302882723 KEPUFMCPYRTECK-UHFFFAOYSA-N 299.736 3.859 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1ccc(OCC#N)cc1 308084826 FINAKMOMCJARID-AWEZNQCLSA-N 288.391 3.990 30 20 CHED C=CC[C@H](CC)NCc1ccc(Br)cc1 308903938 BZFYQDZQQICCCH-ZDUSSCGKSA-N 268.198 3.893 30 20 CHED N#Cc1cnc2ccccc2c1N[C@H]1CCC(F)(F)C1 313575549 RYEBDCPVEZPHNO-NSHDSACASA-N 273.286 3.706 30 20 CHED C[C@H](N[C@@H](C1CCC1)C1CC1)c1ccc(C#N)cc1 324668368 KHYCYMPATMLEMZ-SJCJKPOMSA-N 254.377 3.788 30 20 CHED COc1cccc2c1CC[C@@H]2/N=C(/O)c1ncoc1C1CC1 328865390 BRZDURHJWZMVHD-ZDUSSCGKSA-N 298.342 3.553 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2ccc(F)c(C#N)c2)CC1(C)C 332491886 XGTOVIHTBCRWDR-AWEZNQCLSA-N 289.354 3.596 30 20 CHED N#CCC1CCN(Cc2cc3ccccc3o2)CC1 334260292 WAXUPWIXXOYZHX-UHFFFAOYSA-N 254.333 3.558 30 20 CHED C=CCC1(C(=O)N2CCSc3ncccc32)CCCC1 334511802 BDVXDMBJDSPJPW-UHFFFAOYSA-N 288.416 3.657 30 20 CHED CC1(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]2C[C@H]2C1 334645338 NXYDFLPGADQMRR-RYUDHWBXSA-N 288.778 3.781 30 20 CHED N#Cc1ccc(CN[C@H]2CCCNc3ccccc32)s1 335567517 JEBVHSAVAZXGMM-INIZCTEOSA-N 283.400 3.656 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)c1cccc(Cl)c1 336151916 ACUPPDSDLWENPI-UHFFFAOYSA-N 288.734 3.780 30 20 CHED N#CCC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 336592891 VCDOUITUQMHWME-UHFFFAOYSA-N 297.185 3.759 30 20 CHED C=CCOCCCN[C@H](C)c1ccccc1SC 337359915 HIGHWUPYZJQLRQ-CYBMUJFWSA-N 265.422 3.652 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC1(C)C 337375271 UTRGKIPZZRKWPX-INIZCTEOSA-N 284.403 3.589 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C1 339098465 HWZBUZMELBFCOR-GXTWGEPZSA-N 271.364 3.506 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1 339179812 YPSIFSSCPOZTSI-GOSISDBHSA-N 293.366 3.839 30 20 CHED C=CCC(C)(C)CNCc1scnc1C1CC1 339416326 HNABLQUJFGMEKC-UHFFFAOYSA-N 250.411 3.712 30 20 CHED COc1ccc(CN2CCc3ccccc3[C@H]2C)cc1C#N 340155693 ZXEFSHRNHXOCKL-CQSZACIVSA-N 292.382 3.686 30 20 CHED C=CCN(C(=O)c1ccc(C)c(C)c1Cl)C1CC1 341542348 SUGZIWCRMPVWEA-UHFFFAOYSA-N 263.768 3.747 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(COC(C)C)c1 341655805 VOGYEDOKHJXEFG-UHFFFAOYSA-N 276.380 3.651 30 20 CHED C=CCCOCCCCC(=O)Nc1cnc2ccccc2c1 342614678 FHIOSOKHEDALBV-UHFFFAOYSA-N 298.386 3.936 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@H](OCC)C1=CCCC1 343263950 ZAEGYIOKJXSGKR-HOCLYGCPSA-N 279.424 3.753 30 20 CHED N#Cc1cccc(CCN[C@H]2CCCc3cc(F)ccc32)c1 343513872 OOTWRSYONBLHOG-IBGZPJMESA-N 294.373 3.907 30 20 CHED Cc1c(Cl)cnc(Nc2ccc3c(c2)ncn3C)c1C#N 343542657 YAMRWPKAMPMFNZ-UHFFFAOYSA-N 297.749 3.545 30 20 CHED N#Cc1ccc(F)c(COc2ccc3c(c2F)CCC3=O)c1 344578212 LLHRRHDMBIINOL-UHFFFAOYSA-N 299.276 3.544 30 20 CHED C[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(SCC#N)c2)C1 346998939 XPMBSJYQZLVEFD-TZMCWYRMSA-N 288.416 3.563 30 20 CHED CC[C@@H](Sc1ccc(C#N)cn1)C(=O)c1ccccc1 348129482 GQEYXJICOFORFQ-CQSZACIVSA-N 282.368 3.707 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 348347088 UFBRGVPUDUCPQM-UHFFFAOYSA-N 292.338 3.712 30 20 CHED C=C(C)CCc1noc(-c2cc(-c3ccc(C)o3)[nH]n2)n1 349787479 SNGCVSNBCPEWKC-UHFFFAOYSA-N 284.319 3.537 30 20 CHED N#C[C@@H]1CC[C@H](NCc2csc(-c3ccccc3)n2)C1 349789978 MQFOGGVKGYGRMB-OCCSQVGLSA-N 283.400 3.592 30 20 CHED CC[C@H](C)CCC(=O)N(CCC#N)CC(C)(C)C 352271381 BQAUVBUFGUXEJE-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H](OCC)C1=CCCC1 352468914 AXNHQVXHNBBMRC-OAHLLOKOSA-N 279.424 3.610 30 20 CHED Cc1ccc2c(CC(=O)N(C)CC(C)(C)C#N)coc2c1C 353268510 XZTXYZAOIUGFBN-UHFFFAOYSA-N 298.386 3.600 30 20 CHED C[C@H](NCCSCC(F)(F)F)c1ccc(C#N)cc1 354243253 ONUOEGMEJLQVMP-JTQLQIEISA-N 288.338 3.504 30 20 CHED N#Cc1ccnc(SC[C@H]2CCc3ccccc32)c1 355448592 RUMUBPCEIROPSX-CQSZACIVSA-N 266.369 3.775 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C(C)C)oc1C 355541389 BCQUZKCKFMCAJT-CYBMUJFWSA-N 261.365 3.892 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@@H](C)C1 355653513 OLHWRHLHXMXEFB-OLZOCXBDSA-N 285.391 3.755 30 20 CHED C=C(CC)CSCCC(=O)Nc1cccc(OC)c1 358636450 NDMDMHFMMJCQKY-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCCCO1 360876016 YCXUGFLALKBERR-JVPBZIDWSA-N 298.430 3.873 30 20 CHED Cc1ccc2c(c1)CCN(Cc1cc(F)ccc1C#N)C2 361839075 GNTJSRQDWXOZLA-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CCCC)c1ccc(OC)cc1 362372421 ZRGRECDGBGWFJK-BBRMVZONSA-N 290.407 3.800 30 20 CHED CC[C@H](C#N)Nc1cc(-c2cccnc2)ccc1C 366436718 VGNMIOZVORTSAH-OAHLLOKOSA-N 251.333 3.771 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 368775940 WDVPQRPACXZEOY-KRWDZBQOSA-N 287.378 3.553 30 20 CHED C[C@@H]1CCN(CC#N)[C@H]1c1ccc(C(F)(F)F)cc1 374423245 VTAXRPMCFCPYER-ZWNOBZJWSA-N 268.282 3.612 30 20 CHED N#Cc1ncccc1NCc1ccc(-c2ccncc2)cc1 378051573 CEFTUMGIONXAKO-UHFFFAOYSA-N 286.338 3.627 30 20 CHED CC[C@@H]1CCC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 388583425 GKZZMVHHFPXOFS-YKWDICOMSA-N 268.404 3.779 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CCC[C@H]1C)c1ccccc1 409667627 UXYDKODIQMKIHO-VNQPRFMTSA-N 257.377 3.651 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc(Cl)c(OC)c1 410129115 XCGDOKWQYPXGEF-ZDUSSCGKSA-N 295.810 3.752 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)c1ccccc1 410223188 IJWDCOWMLIBAAL-PBHICJAKSA-N 259.393 3.899 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 410829850 SLEUDZRJLYPSAP-IJLUTSLNSA-N 290.329 3.506 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)CCC(C)(C)C 410831730 ALIMPKNHCWZPDH-OLZOCXBDSA-N 252.402 3.599 30 20 CHED C[C@@H](c1ccccn1)N(C)CCC1(C#N)CCCCC1 411431139 ZLLIFMJLGLGCCJ-HNNXBMFYSA-N 271.408 3.939 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 419410532 OVDBMSDFZAMPRO-VIFPVBQESA-N 289.322 3.952 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cnc(-c3cccs3)s2)C1 424193125 JRWJZWAKMDQINZ-MNOVXSKESA-N 289.429 3.653 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCSC2(CCCCC2)C1 424713845 SKKSJXAABCRMSQ-UHFFFAOYSA-N 281.465 3.867 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 425607992 HYLXZDJAMMXYTO-HRCADAONSA-N 299.418 3.698 30 20 CHED CCc1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1Cl 425670438 FVMAMHIQWDWJAZ-CMPLNLGQSA-N 291.782 3.716 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2occc2C(C)C)no1 426194138 MBBMKMFPJYUQEX-CHWSQXEVSA-N 288.347 3.902 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OC(F)F)c(F)c1 426541370 BFARCBUDUPCUDX-LBPRGKRZSA-N 285.309 3.968 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)[C@H]1CC1(C)C 426547674 GICQUKIMIIKUTH-INIZCTEOSA-N 272.392 3.599 30 20 CHED C[C@H](C#N)C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 427506105 QIDQOVXAYDADJD-SNVBAGLBSA-N 296.292 3.608 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@H](C)[C@H](C)C1)c1ccccc1 427556756 QKZHRBVSDGEJEF-INMHGKMJSA-N 271.404 3.851 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 428883209 UPALAKNQELNFDJ-ZOBUZTSGSA-N 286.419 3.847 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1cccc(OC)c1 432077439 ISTIJRGEAGERSD-CYBMUJFWSA-N 290.407 3.658 30 20 CHED C=CCNC(=O)Nc1ccccc1CN(C)c1ccccc1 433769988 ZZRYPWIXRWPIHJ-UHFFFAOYSA-N 295.386 3.631 30 20 CHED CC[C@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 437428474 DLDWNMPBSLQMCR-AWEZNQCLSA-N 294.345 3.924 30 20 CHED C=CCCCSCCC(=O)N(C)c1ccccc1 439017495 CABSCUDBDYQFKJ-UHFFFAOYSA-N 263.406 3.739 30 20 CHED N#C[C@H]1CC[C@H](NCCCc2ccc(Cl)cc2)C1 442859647 AOYBIOPKHCFPLN-ZFWWWQNUSA-N 262.784 3.554 30 20 CHED C=CCOc1ccccc1CN[C@H](COC)C1CCCC1 446842476 FYDXQBBXWQNFJM-QGZVFWFLSA-N 289.419 3.546 30 20 CHED C=CC[C@@H](C)N[C@H](COCc1ccccc1)C(C)C 446928239 KOAVPZORLOHRFX-NVXWUHKLSA-N 261.409 3.782 30 20 CHED CC[C@H](NCCc1cccc(F)c1)c1ccc(C#N)cc1 447508501 KPYRMTWKGBBRGP-SFHVURJKSA-N 282.362 3.981 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2N[C@@H]2CCC[C@@H](C#N)C2)cc1 447525867 ADFVKOLAVPZPAW-YSHGAJCASA-N 298.430 3.887 30 20 CHED C=CC[C@H](CO)CN[C@@H]1C[C@H](C(C)C)c2ccccc21 447588538 VIZCNCOLMVXDAF-BMGDILEWSA-N 273.420 3.645 30 20 CHED C=C(C)CCNC(=O)c1oc2ccc(F)cc2c1C 448550411 AGUKMGYGGBAIPC-UHFFFAOYSA-N 261.296 3.576 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1ccc(C(C)(C)C)cc1 448662378 BGBCHDPBHIGYCV-VBHSOAQHSA-N 284.403 3.711 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N1CC(C)(C)c2c(Cl)cccc21 448828741 QJNSMXTXOCFXQE-QFYYESIMSA-N 288.778 3.514 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCO[C@H](C2CC2)C1 449252918 UJWUOBKZGJJWET-IMJJTQAJSA-N 251.414 3.669 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)Cc1cccc(F)c1 452777619 VUNBZBGZKFIVBC-CYBMUJFWSA-N 277.383 3.723 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(CC)cc1 452779433 SVHBHLJKMDQOFX-UHFFFAOYSA-N 259.393 3.510 30 20 CHED C=CCCc1noc(CCCOc2ccc(C)c(C)c2)n1 453243604 ZIXWSRWYUNFMCR-UHFFFAOYSA-N 286.375 3.817 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 453360779 MXLPBMLSZOTCTA-LBPRGKRZSA-N 272.392 3.533 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1cccc(OC(C)C)c1 454259122 DRYUOXRCGRSERO-CQSZACIVSA-N 290.407 3.800 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cc(C)cs1 454804397 JDIVBBOANWSBDA-LBPRGKRZSA-N 266.410 3.601 30 20 CHED C=C(C)CCNC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 455307918 JEYNSDJVMBTVOF-NEPJUHHUSA-N 292.345 3.621 30 20 CHED C=CCC1(CNC(=O)CCc2cccs2)CCCC1 456489664 VBPYVDZNNMIGBD-UHFFFAOYSA-N 277.433 3.933 30 20 CHED C[C@H](Cc1ccccc1Cl)C(=O)NCC(C)(C)CC#N 457998719 XTLUNDKBXIXZDG-GFCCVEGCSA-N 292.810 3.575 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)NCC(C)(C)CCC#N 458774529 VLGQATPEXSLTHX-XJKSGUPXSA-N 279.428 3.584 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1cncc(F)c1 459177024 UNPIBQWOHSMFJM-ZDUSSCGKSA-N 293.386 3.670 30 20 CHED C[C@H](C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21)c1cccc(C#N)c1 462594921 SERAAGYNGDWRBB-DFEHZGFQSA-N 296.414 3.699 30 20 CHED C=CCOCCCC(=O)N(C1CCC(CC)CC1)C1CC1 463144283 VSENKYZWGNBSCA-UHFFFAOYSA-N 293.451 3.929 30 20 CHED Cc1ccc(CSCCN[C@@H]2CCC[C@H](C#N)C2)cc1 463286426 VEXCOOYWYAJYOW-DLBZAZTESA-N 288.460 3.900 30 20 CHED C=CCC[C@H](CC)N[C@H](CO)c1cccc(Cl)c1F 467406511 PXUBQDAEMCGDPZ-SMDDNHRTSA-N 285.790 3.847 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(F)c(C#N)c1 468272100 SPSIPJLRIZTTFI-UHFFFAOYSA-N 294.373 3.928 30 20 CHED C=CCOc1ccc(C(=O)N(CC)C[C@@H](C)CC)cc1 480223942 KZEVFVPUKIBYAB-AWEZNQCLSA-N 275.392 3.760 30 20 CHED Clc1ccc(C#CCN(CC2CC2)C2CCC2)cc1 483308801 ALPRZIKPQYVSLM-UHFFFAOYSA-N 273.807 3.956 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@@]2(C#N)CC2(C)C)cc1 484905919 GXZYZAZUSLFXNG-GOSISDBHSA-N 284.403 3.551 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)ccc1C 486749540 WWZOEDSIWZFDGD-CQSZACIVSA-N 258.365 3.876 30 20 CHED CCc1cccc(NC(=O)N[C@H](CC)CC#N)c1CC 487636164 CLGZGEZIGRFABQ-CYBMUJFWSA-N 273.380 3.625 30 20 CHED COc1ccc(C2(NCc3ccc(C#N)c(C)c3)CC2)cc1 488168980 IOQLPAXBNRONMT-UHFFFAOYSA-N 292.382 3.654 30 20 CHED C=CCn1cccc1C(=O)N(C1CCC(C)CC1)C1CC1 489995911 VPNHBHKCBUUMBB-UHFFFAOYSA-N 286.419 3.857 30 20 CHED COC(=O)Nc1ccccc1OCc1ccc(CC#N)cc1 495140962 RAFBZCSYKNYHGG-UHFFFAOYSA-N 296.326 3.510 30 20 CHED C=CCN(CCc1ccco1)C(=O)NCC1(C)CCCC1 497635352 ZPRCUVCOUMVOFA-UHFFFAOYSA-N 290.407 3.600 30 20 CHED CC#CCCNCc1ccc(-c2ccccc2F)o1 499211845 IRQPENGTRXJNJS-UHFFFAOYSA-N 257.308 3.589 30 20 CHED C=CCN(CCCCC1CCOCC1)CCc1ccco1 499616351 AHBVGPJTQYJYAE-UHFFFAOYSA-N 291.435 3.907 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](CCC)c1ccccn1 503937418 RMXBINLFBMWATH-LSDHHAIUSA-N 274.408 3.826 30 20 CHED CCOC1CC(CSCc2ccc(CC#N)cc2)C1 507115113 DSFNARQYZUXJDH-UHFFFAOYSA-N 275.417 3.801 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](C)[C@@H](C)C1 508734809 STLHAUXWEWHWPP-GJZGRUSLSA-N 296.418 3.613 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)NCC#Cc2ccccc2)C1 509342978 JNABEDQNWQBLCG-MSOLQXFVSA-N 298.430 3.552 30 20 CHED C=C(C)CSc1nc2nc(C)c(CCCC)c(C)n2n1 515565030 BZEBFCWMKLSXPN-UHFFFAOYSA-N 290.436 3.752 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1 524518388 ZFBJEDPSWUTGMK-ZBFHGGJFSA-N 270.376 3.647 30 20 CHED CC[C@H](C)[C@H]1CCCCN1Cc1ccc(C#N)cc1 524811670 GAJXYLHZDFPTCB-WMLDXEAASA-N 256.393 3.959 30 20 CHED Cc1ccc2oc(N(CCC#N)CC(C)(C)C)nc2c1 536174130 YCFWJSSBQDDNTN-UHFFFAOYSA-N 271.364 3.902 30 20 CHED COc1ccc([C@H](C)NCC#Cc2ccc(F)cc2)cc1 537028063 DUQKOUHQQCRVBX-AWEZNQCLSA-N 283.346 3.537 30 20 CHED C=CCN(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CC1 539009922 GKBFPLWGUVHWKP-UHFFFAOYSA-N 288.391 3.965 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1cccc(Cl)c1 539608475 MSXKKDHFTXLIPH-CQSZACIVSA-N 280.799 3.536 30 20 CHED CC#CCCCC(=O)Nc1n[nH]c(C)c1-c1ccccc1 546660504 JSYMODGUYVIHHB-UHFFFAOYSA-N 281.359 3.517 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)[C@@H]2CCC[C@@H]21 552139688 RVXHQUJQCCDFNG-UONOGXRCSA-N 260.406 3.630 30 20 CHED CC(C)(C)CCCNC1CCN(c2ccc(C#N)cc2)CC1 552262363 SNEVJKARYKCVQP-UHFFFAOYSA-N 299.462 3.943 30 20 CHED CN(CCCCC#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 554304885 AUHMQSPHKGJVCY-IRXDYDNUSA-N 286.419 3.858 30 20 CHED C=CCN(Cc1ccc(C(C)C)nc1CC)C1CC1 555420374 CFHBGGXOEQTMAJ-UHFFFAOYSA-N 258.409 3.918 30 20 CHED CCN(C(=O)c1ncc(C#N)cc1C)c1cc(C)cc(C)c1 559000517 GTYLDHMAIJPACV-UHFFFAOYSA-N 293.370 3.545 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 563608010 KHAYZMWROWXIPW-HOTGVXAUSA-N 282.387 3.908 30 20 CHED Cc1ccc([C@H](C)CN=c2[nH]ccc(C#N)c2Cl)cc1 566381352 OIDFUXFVWKOQTN-GFCCVEGCSA-N 285.778 3.553 30 20 CHED CSc1ccc(CN2CCC(CCC#N)CC2)s1 572122133 VAEXVYOTNHSKPA-UHFFFAOYSA-N 280.462 3.986 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)CCCN2 573693206 OEBZRFRYZLDCHG-GFCCVEGCSA-N 258.365 3.586 30 20 CHED CC(C)CCc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1 574245390 ZJSSCOIVHSTAIO-GUYCJALGSA-N 270.376 3.763 30 20 CHED Cc1cc(C(=O)NC[C@@H](C)C#N)sc1-c1ccccc1 577408952 LLEHRENYICTMGG-NSHDSACASA-N 284.384 3.613 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2ccsc2)CCCC1 578843518 UVUQZBSTBAUOMK-CYBMUJFWSA-N 277.433 3.932 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)C1(c2ccccc2)CCCC1 580555405 QYGDRIIWCPKOQT-DLBZAZTESA-N 295.430 3.920 30 20 CHED Cc1cc(F)ccc1Cc1noc(C2(C#N)CCCCC2)n1 581349528 DGIDESCUAAPMEB-UHFFFAOYSA-N 299.349 3.833 30 20 CHED C[C@@H](CCC#N)N1CCC(c2cccc(F)c2F)CC1 581594211 USZYICIYSMZOEO-LBPRGKRZSA-N 278.346 3.836 30 20 CHED CSCCCS[C@H](C#N)Cc1ccc(C)cc1 582486843 FVSZAIMYURFBJM-AWEZNQCLSA-N 265.447 3.916 30 20 CHED CC[C@H](CC#N)N[C@H](CC)c1ccc(F)cc1F 583033023 AWZKRHIWHKCAEC-BXUZGUMPSA-N 252.308 3.698 30 20 CHED Cc1cc(C(=O)Nc2scc(C)c2C#N)cc(C)c1F 589035321 OAARQPCQLYGKLA-UHFFFAOYSA-N 288.347 3.936 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCC1CCC(C#N)CC1 592628269 QECXVZOBIOOANW-PFSRBDOWSA-N 276.424 3.505 30 20 CHED CN(CCC(C)(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 592683701 GDOSSHIFGWDYPU-MRXNPFEDSA-N 286.419 3.969 30 20 CHED N#CC1(c2ccc(-c3cccc(CO)c3)s2)CCC1 592985540 NTCCAKNLKFNWEB-UHFFFAOYSA-N 269.369 3.853 30 20 CHED C=C1CCN(C(=O)CCCCCc2ccc(O)cc2)CC1 594848060 KTEBNLSSTYXSAB-UHFFFAOYSA-N 287.403 3.674 30 20 CHED N#CCC1(CSc2nccn2Cc2ccccc2)CC1 594881409 XPWHOCHITVJEOR-UHFFFAOYSA-N 283.400 3.717 30 20 CHED CC[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 595092455 VUVHJAHMVIBGBV-RBUKOAKNSA-N 292.382 3.992 30 20 CHED CCc1nc(C)c(COc2ccc(C#N)cc2CC)o1 596278462 NLEOSSXPGHGVGO-UHFFFAOYSA-N 270.332 3.559 30 20 CHED N#CC[C@H]1CCCN(C(=O)CCC2CCCCCC2)C1 597901410 JZGBOSOPPMUGOJ-MRXNPFEDSA-N 276.424 3.889 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N[C@H](C#N)C1CCCCC1 599629975 PTQVDTDREQTZIF-CRAIPNDOSA-N 298.430 3.762 30 20 CHED COC(=O)c1c(F)cccc1N[C@@H](C)c1cccc(C#N)c1 600847462 SUXOPKGGJABGMA-NSHDSACASA-N 298.317 3.657 30 20 CHED Cc1nn(C)c2cc(N[C@@H](C)c3cccc(C#N)c3)ccc12 600852559 VJOUVYGXAYHADW-LBPRGKRZSA-N 290.370 3.927 30 20 CHED C[C@H](CCC#N)CN1C[C@H](c2ccccc2)C[C@H]1C 602476563 XPWIYDOXSPRSSI-BFYDXBDKSA-N 256.393 3.804 30 20 CHED Cc1nc(C)c([C@@H](C)N(C)C[C@H](C)CCC#N)s1 602477399 VRLMEAIFHURMBY-ZYHUDNBSSA-N 265.426 3.693 30 20 CHED C[C@H](CCC#N)CNCCC(C)(C)c1ccccc1 602519967 BZEKUQUTGVIMKS-OAHLLOKOSA-N 258.409 3.884 30 20 CHED C[C@H](c1cc(F)ccc1F)N(C)CC1(CC#N)CC1 602766666 QNBRULOAYKJBPW-LLVKDONJSA-N 264.319 3.651 30 20 CHED COCc1cc(C#N)ccc1N1CCC=C(c2ccco2)C1 603374306 JQZGMGYSKNDAOV-UHFFFAOYSA-N 294.354 3.591 30 20 CHED C=CCOc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 603633479 OZHCDMYRNWYEOU-HNNXBMFYSA-N 292.382 3.974 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CCC)Cc1ccccc1 604898010 WPZOGMQSRNZCII-GOEBONIOSA-N 274.408 3.662 30 20 CHED CCCCN(C(=O)c1ccc(C#N)[nH]1)[C@H](C)c1ccc(C)o1 611029719 UYYKTBWKTVEAGY-CYBMUJFWSA-N 299.374 3.791 30 20 CHED CC1(C)CN(c2cccc(C#N)n2)[C@H]1c1ccccc1 611116130 SXMFZCNFLXRHQR-INIZCTEOSA-N 263.344 3.541 30 20 CHED CC(C)(C)C[C@H](NC1CCN(CC#N)CC1)c1ccccc1 611438480 UWSMTOXYJVQULE-SFHVURJKSA-N 299.462 3.741 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(Br)cs2)C1 612162004 XPZOQDVSFLFYGQ-GFCCVEGCSA-N 299.237 3.636 30 20 CHED C[C@]1(C#N)CCCN(CCCOc2ccc(Cl)cc2)C1 612167614 RLIUDBQUVMWNGA-MRXNPFEDSA-N 292.810 3.735 30 20 CHED CC(C)Cc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 613365868 ZLALYAQHIPLFEO-GOSISDBHSA-N 286.419 3.943 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(F)ccc2Cl)C1 617779232 XLOFDUVCAQFYOY-NSHDSACASA-N 281.758 3.907 30 20 CHED CCN(Cc1oc(C)nc1C)[C@@H](C)c1ccc(C#N)cc1 618904190 WVJWJZNAJKYDPE-ZDUSSCGKSA-N 283.375 3.746 30 20 CHED C[C@@H](NC(=O)N(C)[C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 619428734 SJOZIGXLLGLUKF-CJNGLKHVSA-N 299.418 3.839 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)o1 619755143 ULZNDQNWEGJBGR-LLVKDONJSA-N 274.751 3.964 30 20 CHED CCc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619764544 YXEAKAWCQRRNGZ-UHFFFAOYSA-N 298.773 3.704 30 20 CHED C=CCC1(C(=O)N2CCOc3ccccc3[C@@H]2C)CCC1 622987848 QFIRMISDJAOGHH-AWEZNQCLSA-N 285.387 3.715 30 20 CHED C=CC[C@@H](C(=O)NC[C@H](CCC)OCC)c1ccccc1 628343752 NGHCSKPJXWKDOO-DLBZAZTESA-N 289.419 3.668 30 20 CHED C=CCn1c(C)nnc1SCC[C@H]1CCc2ccccc21 657230295 QRMPSUORWDZICF-OAHLLOKOSA-N 299.443 3.985 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1ncc(C)s1 664335418 UVSAZPUFLVNPRG-LLVKDONJSA-N 281.425 3.557 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Cl)c2ncccc12 674975740 NXODKIQXWGFMAJ-SECBINFHSA-N 275.739 3.584 30 20 CHED N#Cc1ccc(OCc2csc(C(=O)O)c2)c(Cl)c1 689112552 MFYHJJDWDNMWCF-UHFFFAOYSA-N 293.731 3.550 30 20 CHED Cc1nc(C)c(C(=O)Nc2ccc(Cl)cc2C#N)s1 695713983 OGOXLPXALGKXTD-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc2c(F)cccc2s1 704284778 ADHAOUTVSNGWQE-UHFFFAOYSA-N 287.359 3.526 30 20 CHED C#C[C@@H](NC1CCC(CSC)CC1)C(C)(C)C 705304085 HRJREGWLWYQIEY-JXQTWKCFSA-N 253.455 3.546 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc(C)c(C)c1O 728156708 MMGKEQGOMXACFY-UHFFFAOYSA-N 298.342 3.543 30 20 CHED C=C(Br)CN1CC[C@H](c2cccc(F)c2)C1 729545001 PKGGTWYWVBKLSL-LBPRGKRZSA-N 284.172 3.524 30 20 CHED Cc1ccc(NN=C2CCC[C@@H]2CCC(C)C)nn1 729937740 BTUQWUXXSKISAD-CYBMUJFWSA-N 260.385 3.789 30 20 CHED C[C@@H]1CCCCC1=NN=c1cc[nH]c2ccccc12 730148534 WWSKYLAYYWUNIR-GFCCVEGCSA-N 253.349 3.635 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@H](C)C(C)C 733092683 LNGKBVNLMDXHLA-GFCCVEGCSA-N 262.349 3.621 30 20 CHED C[C@@H](NN=Cc1occc1Br)c1ccccc1 735229845 SNCFSNFGTDJBQC-SNVBAGLBSA-N 293.164 3.727 30 20 CHED CC(=NNCc1ccccc1)c1c(Cl)nc2ccccn12 737423781 XEZOYWBSJYPNDS-UHFFFAOYSA-N 298.777 3.502 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1ccsc1 739425046 BCVHWFFHULMMFY-UHFFFAOYSA-N 285.294 3.998 30 20 CHED O=C1C(=Cc2nccc3ccccc23)C(=O)c2ccccc21 740763748 HTEKACHAQDSKCT-UHFFFAOYSA-N 285.302 3.697 30 20 CHED C=CCCCS[C@H]1CCN(c2ccc(C)cc2)C1=O 742970222 GTVVDESMGYDGSU-HNNXBMFYSA-N 275.417 3.800 30 20 CHED C=C(C)CCOC(=O)c1cc2ccccc2cc1OC 744302913 HFQPRNTXXDHKBD-UHFFFAOYSA-N 270.328 3.971 30 20 CHED CC#CCOC(=O)Cc1coc2cc(C)c(C(C)C)cc12 744499718 CCQQNFFYFKHQOT-UHFFFAOYSA-N 284.355 3.974 30 20 CHED CCC(=NNc1cc(F)c(F)cc1F)C1CCOCC1 745203443 GWOMLXGRYNYLDW-UHFFFAOYSA-N 286.297 3.708 30 20 CHED C=CCOCCCC(=O)OCc1csc2ccccc12 745537031 VHPSRCLLFIFNJM-UHFFFAOYSA-N 290.384 3.927 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCc3ccccc3C2)c1 745843414 GZHXQANKUQMDHQ-UHFFFAOYSA-N 281.315 3.552 30 20 CHED c1ccc(NN=C2CCCC[C@@H]2N2CCCCCC2)nc1 749812294 MFAFJBKYWNLFPI-INIZCTEOSA-N 286.423 3.668 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)[C@H](C#N)C(=O)Nc2ccccc2)C1 750668409 SPUAFYBHKQFJSS-FMKPAKJESA-N 298.386 3.550 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=Cc1ccc[nH]1 753948084 XFCUCODAHBRJPY-UHFFFAOYSA-N 271.217 3.619 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 754374907 UVZBIEUGXFWOFB-VIFPVBQESA-N 289.684 3.500 30 20 CHED COCc1ccc(C=NOc2ccccc2C(F)(F)F)o1 754723080 IYOVGWMEASYAPZ-UHFFFAOYSA-N 299.248 3.858 30 20 CHED CC#CCCNC(=O)C=C1CCC(C(C)(C)C)CC1 756144969 KBSPOMMVWUTRAG-UHFFFAOYSA-N 261.409 3.679 30 20 CHED C=C[C@@H](C)NC(=O)Cc1ccc(OCCCCCC)cc1 757004913 UHDXLEIOCWSJLV-OAHLLOKOSA-N 289.419 3.879 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(C)c(OC)c1 758529605 OFGSQUGKYMDFTN-UHFFFAOYSA-N 274.360 3.815 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)cnc1Cl 760264637 KMWOYFYPPTWRDS-RQOWECAXSA-N 291.709 3.784 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccsc1 761885423 TYIZGNXAEUGAMA-UHFFFAOYSA-N 264.325 3.732 30 20 CHED C#CCCc1noc(/C(C)=C\c2ccccc2Cl)n1 762013788 IIDKYYSXAFOPKZ-KHPPLWFESA-N 272.735 3.849 30 20 CHED CCn1nccc1/C=C1\C(=O)c2cccc3c2[C@H]1CCC3 763291046 UOYQUAYNAXIBQG-HNDQUVLASA-N 278.355 3.603 30 20 CHED CCC(Cc1ccc(OC)c(OC)c1)=NNC1CCCC1 763361860 AVSMZALFLBXPDS-UHFFFAOYSA-N 290.407 3.545 30 20 CHED COCc1ccc(C=NNc2c(C)cc(C)cc2C)o1 764698890 NDUATWNSRDDWNL-UHFFFAOYSA-N 272.348 3.797 30 20 CHED CC1CCC(=NNCc2cnc3ccccc3c2)CC1 764775245 JBXAPDMKBPPJKF-UHFFFAOYSA-N 267.376 3.891 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C(C)(C)C)cnc2ccccc12 765632916 GWTZLHKECUMPIY-OAHLLOKOSA-N 282.343 3.638 30 20 CHED Fc1cc(F)c(NN=CC2Cc3ccccc3C2)cc1F 766450274 HJLFCNXQWHHSJP-UHFFFAOYSA-N 290.288 3.917 30 20 CHED CCO[C@H]1CCCC1=NNc1c(F)cccc1Cl 766455245 RAUDKPJUKGRJNH-LBPRGKRZSA-N 270.735 3.836 30 20 CHED N#CCCCCOC(=O)c1cccc2ccsc12 767626594 NFJYXNYXXQHNAO-UHFFFAOYSA-N 259.330 3.752 30 20 CHED Cc1cc(CNCc2ccc(N(C)C)cc2C)ccc1C#N 767692685 XSWGTKWGCXLALF-UHFFFAOYSA-N 293.414 3.531 30 20 CHED C#CCCCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767877774 WLYMQZOBXPBROR-AWEZNQCLSA-N 281.321 3.908 30 20 CHED CC1(C)CCC(C(=O)Oc2ccc(C#N)cc2)CC1 768757328 UMVHWYJFCDEEMT-UHFFFAOYSA-N 257.333 3.680 30 20 CHED C=C(C)CNC(=S)N[C@H](C)CSc1ccc(C)cc1 769761110 UFWJYBPMMHRCDE-CYBMUJFWSA-N 294.489 3.516 30 20 CHED COc1ccc(C=NNc2c(C)cccc2F)cc1OC 769828368 SFSRGKQVFPOESR-UHFFFAOYSA-N 288.322 3.597 30 20 CHED Cc1cccc(F)c1NN=Cc1cn(C)nc1C(C)(C)C 769839276 BJOPUWQDZDAHAW-UHFFFAOYSA-N 288.370 3.611 30 20 CHED C=CCCCc1nc(-c2c(Cl)nc3ccccn23)no1 771325339 PBPUEIJXGBOUIP-UHFFFAOYSA-N 288.738 3.546 30 20 CHED C#CC[C@@H](N[C@@H](COC)Cc1ccccc1)c1ccccc1 773115143 LSCDBRSPRXHWQG-WOJBJXKFSA-N 293.410 3.598 30 20 CHED C#C[C@H](N[C@H](C)c1ccc2ccccc2c1)[C@H]1CCCO1 775574494 PRLFITMPJNTUOI-MDASCCDHSA-N 279.383 3.671 30 20 CHED C#CCCCCC(=O)N[C@](C)(c1ccccc1)C(F)(F)F 776342899 LIZJTIPCZUBNPB-OAHLLOKOSA-N 297.320 3.774 30 20 CHED N#C[C@@H](OC(=O)c1ccc(F)cc1F)C1CCCCC1 776361041 IWYISQZEOKREFW-CQSZACIVSA-N 279.286 3.594 30 20 CHED Cc1cccc(C2(C(=O)OCCC(C)(C)C#N)CC2)c1 776377671 DKBUVYMPUBSTCJ-UHFFFAOYSA-N 271.360 3.510 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2c(c1)OCO2 776767583 DGHFDIGITUKUJB-INIZCTEOSA-N 292.338 3.776 30 20 CHED N#Cc1ccc(F)c(CNCc2cc(F)cc(Cl)c2)c1 776801104 PVNPMYGPCLREOL-UHFFFAOYSA-N 292.716 3.780 30 20 CHED C#Cc1ccc(C(=O)N(CC(C)(C)C)c2ccccc2)cn1 776975064 CLQPRNBHGCTLEQ-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CC(=NNCCCc1ccccc1)C1CCSCC1 777440876 OMSUHBQJDIRLSO-UHFFFAOYSA-N 276.449 3.728 30 20 CHED C#CC(C)(C)NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 778837661 UPTJFXZGMUAVLU-UHFFFAOYSA-N 289.684 3.500 30 20 CHED C#CCCCCCC(=O)NCc1c(C)cc(C)cc1C 779807163 OHBRKDUATBROKL-UHFFFAOYSA-N 271.404 3.812 30 20 CHED C#CCCCCCC(=O)NC[C@H](C)Cc1cccs1 779920453 JIPOORZSVNBTFW-CQSZACIVSA-N 277.433 3.627 30 20 CHED N#Cc1cccc(C(=O)OCc2ccc(Cl)cc2F)c1 781131986 PECMBVXOYDMIER-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CO[C@H](C(C)=NNc1nc2ccccc2[nH]1)c1ccccc1 782127239 LNLXEPVCCOLOHG-MRXNPFEDSA-N 294.358 3.738 30 20 CHED C=CCCC(=O)OCc1ccc(C)c(Br)c1 782266413 KOIZFQIZMOAAPC-UHFFFAOYSA-N 283.165 3.767 30 20 CHED Fc1cccc(Cl)c1NN=C1COCc2ccccc21 782271296 BHJYFCUGJGGGNC-UHFFFAOYSA-N 290.725 3.826 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)CCc2c(O)cccc21 782341220 IHBKNPWUQXXDLX-DHZHZOJOSA-N 297.379 3.939 30 20 CHED CCCCCCCCCC(=O)N[C@@]1(C)CCO[C@H]1C 784241596 IRHQUGDYIPSPBP-HOCLYGCPSA-N 269.429 3.811 30 20 CHED CC(C)(C#N)CC(=O)OCCc1ccc2ccccc2c1 785096114 MGGFWHLBNATRMC-UHFFFAOYSA-N 281.355 3.865 30 20 CHED C=C(Cl)COC(=O)[C@@H](CC)Sc1ccccc1 785919696 VUWHBHYLCWSPHA-GFCCVEGCSA-N 270.781 3.853 30 20 CHED C=CCCN(C)C(=O)/C=C/c1ccccc1O[C@H](C)CC 786669922 JPVOQSPSDORKOL-RDRICISKSA-N 287.403 3.912 30 20 CHED CCC(=NNc1ccnc2cc(Cl)ccc12)c1cn[nH]c1 788950282 GQYLBZXNDNPZPC-UHFFFAOYSA-N 299.765 3.838 30 20 CHED CC(C)(C)C1CCN(N=Cc2cc(C#N)cs2)CC1 790180504 HCSPTWANQTZWJC-UHFFFAOYSA-N 275.421 3.712 30 20 CHED Cc1cccnc1NN=C1CCCc2ccc(F)cc21 790193128 UXHSBCJJZZGJQZ-UHFFFAOYSA-N 269.323 3.682 30 20 CHED CC(=NNc1nccn1C)c1ccc(SC(F)F)cc1 790303066 PXLPVNQBRZDYQT-UHFFFAOYSA-N 296.346 3.571 30 20 CHED CC#CCCCC(=O)OCc1cc(OC)ccc1Cl 791450121 XVZOSWLSUABWGL-UHFFFAOYSA-N 280.751 3.585 30 20 CHED CC1(C)CCCC[C@@H]1NN=C[C@@]1(C)CCCS1 793051133 HFWNXLOPRZJZCZ-GXTWGEPZSA-N 254.443 3.816 30 20 CHED CCc1cccc2c1OC/C(=C/c1ccc(C#N)cc1)C2=O 794726610 COFAGIOYETVTIT-YBEGLDIGSA-N 289.334 3.779 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C1CCC[C@@H]1CCF 794900029 RXBLFQWESRAGHU-SNVBAGLBSA-N 295.314 3.531 30 20 CHED Cc1ccc(F)c(NN=C[C@@H]2CCCSC2)c1 794918515 IKCNEHFKVRUQGX-NSHDSACASA-N 252.358 3.675 30 20 CHED CCC(=NNc1ncccc1[N+](=O)[O-])c1cccc(C)c1 794919470 ZJCDGWOCJQXACL-UHFFFAOYSA-N 284.319 3.524 30 20 CHED Fc1cccc(NN=C2CC[C@H]2c2ccccc2)n1 795008538 KNYLPFFIOYMMDE-LBPRGKRZSA-N 255.296 3.566 30 20 CHED CCCCCCCCCOC(=O)C1CCC(O)CC1 795643500 YKGBIKZRGZVONW-UHFFFAOYSA-N 270.413 3.831 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNC(=S)Nc1cccnc1 797400191 QWJRPRPKGQWTDO-NWDGAFQWSA-N 290.436 3.570 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H]2CCC(F)(F)C2)cc1 797468068 HJRRVZPMVSNZEK-OCCSQVGLSA-N 294.345 3.502 30 20 CHED COc1ccc(C)cc1[C@@H](C)OC(=O)c1cc(C#N)oc1C 797962393 YNCZGMORUJOPLM-LLVKDONJSA-N 299.326 3.695 30 20 CHED C#CC[C@@H](N=c1cc[nH]c(C)c1Cl)c1ccccc1 798396484 WEMQDBFCJFFVHN-CQSZACIVSA-N 270.763 3.642 30 20 CHED COc1ccccc1CON=C(C)c1ccc(N(C)C)cc1 799118008 TTWHZHWPOQVPMY-UHFFFAOYSA-N 298.386 3.702 30 20 CHED CC[C@H](C)Oc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 799721333 BPFHEVXSSGWUEY-GUTXKFCHSA-N 258.365 3.968 30 20 CHED N#Cc1cccc(COC(=O)[C@H]2CCCC(F)(F)C2)c1F 800279656 KRANCNXUOMONTC-JTQLQIEISA-N 297.276 3.566 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)c2ccsc2)c1 800790461 LPOBVQNQTRFYPR-XBLUXWHVSA-N 261.346 3.642 30 20 CHED Cc1cc(C)cc(OCCOC(=O)CCCCCC#N)c1 805696981 NLRJWSIYOSLBPG-UHFFFAOYSA-N 289.375 3.700 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)Cc2nc(Cl)ccc21 806579881 VEQVMNXGRAZHJB-UITAMQMPSA-N 291.684 3.836 30 20 CHED C#C[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1)C(C)(C)C 807882202 KXELAAIBRWVCKM-GFCCVEGCSA-N 299.748 3.596 30 20 CHED FC(F)(F)c1ccc(C=NNc2ncccc2Cl)[nH]1 807964455 INURXDMXQBMJEZ-UHFFFAOYSA-N 288.660 3.528 30 20 CHED C[C@@H](Oc1ccccc1C=O)c1cccc(C#N)c1 808244326 VPHHVOQWAJSQIA-GFCCVEGCSA-N 251.285 3.511 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2CC[C@@H]2C2CC2)cc1C#N 809635024 BMRHWFWJVYOAPL-ZBFHGGJFSA-N 299.374 3.727 30 20 CHED C=CCCCCCCCNC(=O)c1snnc1C1CC1 811590802 LZEUOUFGXLILID-UHFFFAOYSA-N 293.436 3.672 30 20 CHED C=CC[C@H](CC)Nc1nc(-c2cccc(OC)c2)no1 811842838 IKLQAGFFHDBLOI-LBPRGKRZSA-N 273.336 3.512 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(O)c(C)c1 812241760 MLZLJCINQWOXEV-DAXSKMNVSA-N 286.302 3.744 30 20 CHED C=C(Cl)CNC/C(C)=C/c1ccccc1COC 814292879 BHWPIEXCRFWIBU-XYOKQWHBSA-N 265.784 3.578 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2cccc3cc[nH]c23)o1 814820826 PUYMIEFPNYRJBV-UHFFFAOYSA-N 293.330 3.597 30 20 CHED C=CCC(C)(C)CNCc1c(Cl)nc2ccccn12 815142392 RYEOHVOLVOJQQM-UHFFFAOYSA-N 277.799 3.680 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H](C)[C@@H]1CCC 815715679 PWXDPUYCQUGDOC-RYUDHWBXSA-N 259.340 3.625 30 20 CHED CCCCCCCCC(=O)N1C[C@@H](CO)c2ccccc21 817782770 NVMUVSIYGXALOW-HNNXBMFYSA-N 289.419 3.860 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1F 834876298 AABOYWUIJDWQDH-DJWKRKHSSA-N 298.313 3.665 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1ccc(Cl)s1 834995666 JTFMGVHZDMLSBM-LURJTMIESA-N 270.707 3.666 30 20 CHED C[C@H](NN=C/C=C/c1ccc(F)cc1F)C(F)(F)F 834998600 VZKJQXARFFRXLL-CPAKVPMESA-N 278.224 3.504 30 20 CHED CC(=NNc1ncc(F)cc1F)C1CCC(F)(F)CC1 835023086 ZFDUWFDMDNJSDG-UHFFFAOYSA-N 289.276 3.973 30 20 CHED CC(C)(C)C#CC(=O)NCc1ccc2ccccc2c1 837335808 ZTGPSXQJTSXFMS-UHFFFAOYSA-N 265.356 3.506 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)c1ccccc1 837390577 HLRXRVSKGAQUSN-AWEZNQCLSA-N 271.404 3.518 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(F)cc1F 839052983 KBWZDDMLZVXSSY-WDEREUQCSA-N 279.286 3.512 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2sccc2Cl)C1 839062804 NVHHRXWYKZAYAI-RKDXNWHRSA-N 269.753 3.641 30 20 CHED CCC(=NNc1ncnc2sccc12)[C@@H]1C[C@@H]1C 841615044 UZHGXIYWWDBKDF-WCBMZHEXSA-N 260.366 3.525 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)/C=C\C1CCCC1 843565118 NQZDHYXMDOFZTQ-JZHDPFOFSA-N 296.414 3.764 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1coc(C(C)C)n1 844552914 NWUMGZAKWQUFPH-GQCTYLIASA-N 289.306 3.842 30 20 CHED C=C(Cl)CNc1ccc(S(=O)(=O)C2CCCC2)cc1 849313915 RWZQIHBPQXUFTI-UHFFFAOYSA-N 299.823 3.567 30 20 CHED CC1(C)CC(=NNc2ncc(Cl)cn2)c2ccoc2C1 857223581 VAULPVWTGOFPTB-UHFFFAOYSA-N 290.754 3.512 30 20 CHED C#C[C@@H](OC(=O)c1nc(C(C)C)oc1C)c1ccc(C)cc1 860963274 SUQNSWGTQQJWNY-OAHLLOKOSA-N 297.354 3.946 30 20 CHED Clc1cnc(NN=Cc2cnc(C3CC3)o2)c(Cl)c1 863069685 JSPBMCSKOYPODD-UHFFFAOYSA-N 297.145 3.700 30 20 CHED Cc1ccc(-c2ccc([C@@H](O)C3CC3)cc2)cc1C#N 863729515 GCFCIWCYJCYAEW-GOSISDBHSA-N 263.340 3.977 30 20 CHED C[C@@H](CCC#N)CNc1ccc2c(c1)[C@H](O)CCCC2 877624473 CCZHAZJNRWUPSQ-SUMWQHHRSA-N 272.392 3.798 30 20 CHED C=CC(C)(C)CC(=O)Nc1scnc1C1CC1 879335831 WUOAQWRGFJAYFI-UHFFFAOYSA-N 250.367 3.561 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(F)cc(F)cc1F 889263163 OPTUKSRXWJUNPN-UHFFFAOYSA-N 257.255 3.645 30 20 CHED C=C1CCC(C(=O)NCCc2csc(C(C)C)n2)CC1 896081927 PCOBKWNXFCXQSN-UHFFFAOYSA-N 292.448 3.672 30 20 CHED C=C1CC(c2noc(Cc3nsc4ccccc34)n2)C1 896873811 GRIJVJYJTLHBHS-UHFFFAOYSA-N 283.356 3.704 30 20 CHED C=C1CC(c2noc(CCCOc3ccccc3)n2)C1 896889529 AVHWSUBVYMZRJD-UHFFFAOYSA-N 270.332 3.515 30 20 CHED C=C1CN(C(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 898696539 WZUAEDFKAHGEAV-NSHDSACASA-N 283.293 3.597 30 20 CHED N#CC1(CCCCOc2ccc([N+](=O)[O-])cc2F)CCC1 901472207 UUACCOPSYUELEN-UHFFFAOYSA-N 292.310 3.977 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2Cl)C1 902916701 AKPGACLXFVRCGH-SECBINFHSA-N 298.173 3.761 30 20 CHED CC[C@H](N[C@H](C)[C@](C)(OC)C1CC1)c1cccc(C#N)c1 903019076 JRLHSFXYRYROAR-BVGQSLNGSA-N 286.419 3.803 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc2ccccc2n1 903032759 WYAKKDDCXMMGRL-ZDUSSCGKSA-N 265.360 3.579 30 20 CHED N#CC1(c2ccc(-c3cccc(O)c3)cc2)CCOCC1 904767087 RQHMTLVAKSGPCC-UHFFFAOYSA-N 279.339 3.631 30 20 CHED C=CC[C@H](C(=O)NCCCCCC(C)=O)c1ccccc1 909102111 PMSRYNGUZSPOML-KRWDZBQOSA-N 287.403 3.612 30 20 CHED FC(F)(F)c1ccc(NN=Cc2cccs2)nc1 915917502 DYVRKQAFNBNQRE-UHFFFAOYSA-N 271.267 3.608 30 20 CHED CSc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1 916268956 ILCIMGQVQHPGPC-UHFFFAOYSA-N 287.344 3.763 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)Cc2ccccc2C)c1 917556924 RNESCRIVBPGPSE-VCRXTVNUSA-N 283.371 3.759 30 20 CHED Cc1ccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 917559273 JGIFLRVOAQAIGK-VAKHEIKFSA-N 284.315 3.789 30 20 CHED C[C@H](C#N)OC(=O)CCCc1ccc(Cl)c(Cl)c1 919488583 QDEJNESMFPWKCV-SECBINFHSA-N 286.158 3.771 30 20 CHED N#Cc1sccc1C(=O)OC[C@H]1CCCCC1(F)F 923567843 VZXCQHKBLSJTCD-SECBINFHSA-N 285.315 3.602 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)C1(Cl)CC1 925601774 OPCBZIPALCJWPA-TZMCWYRMSA-N 262.784 3.781 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1csc(C(C)(C)C)n1 925662256 HOYJUVVWSBKJAK-LBPRGKRZSA-N 293.480 3.901 30 20 CHED C#CCCCCC(=O)N[C@H](CC)c1cc(F)ccc1OC 928779887 RTEHXGDQUXIORE-OAHLLOKOSA-N 291.366 3.595 30 20 CHED CCN(CCc1ccccc1)C(=O)c1cc(C#N)ccc1C 930016568 RWDYRWFQZUYJDQ-UHFFFAOYSA-N 292.382 3.572 30 20 CHED Cc1cc(CN[C@H](c2ccncc2)C2CC2)ccc1C#N 934699368 WIJVVDAWFRKDBU-SFHVURJKSA-N 277.371 3.503 30 20 CHED N#CCOc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 1116466865 KVEHMLGZCVURMR-SFHVURJKSA-N 296.345 3.505 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2)oc1C(C)C 1116785489 WNKWNZWIQRKAHX-CYBMUJFWSA-N 296.370 3.559 30 20 CHED N#Cc1ccc(COC(=O)C(C2CCC2)C2CCC2)s1 1118336881 UTNVFCUTLNRKHM-UHFFFAOYSA-N 289.400 3.879 30 20 CHED C=C[C@H](C(=O)N1CCCc2occc2C1)c1ccccc1 1123880380 ORLPPRQYVJMLKY-INIZCTEOSA-N 281.355 3.524 30 20 CHED CCN(Cc1ccccc1)C(=O)[C@@H](CC#N)c1ccccc1 1124385673 ZORCNBUMHICVPZ-SFHVURJKSA-N 292.382 3.733 30 20 CHED N#CCc1cccc(NC(=O)c2ccccc2OC2CC2)c1 1128983015 SPCJRHFRADOXAZ-UHFFFAOYSA-N 292.338 3.546 30 20 CHED Cc1coc(C)c1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1132213895 VEOBUBZSWINMQH-UHFFFAOYSA-N 288.734 3.698 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1nc(C#N)c(Cl)s1 1185897505 DSSYUBFAANFBAI-ZJUUUORDSA-N 299.827 3.674 30 20 CHED CC(C)c1cnc(S[C@H](C#N)C2CC2)n1C1CC1 1188814232 JNICYMZQJLUIOJ-CYBMUJFWSA-N 261.394 3.736 30 20 CHED COc1cc(O)ccc1/C=C1/CCCC(C)(C)C1=O 1319081395 HHJFBLBAYFBGSF-XFXZXTDPSA-N 260.333 3.563 30 20 CHED C=CC[C@@H](CC)NC(=O)C(F)(F)c1ccc(Cl)cc1 1321331838 HUYASLJJFROJBV-GFCCVEGCSA-N 287.737 3.903 30 20 CHED COc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1F 1321633341 ALDDLARWRPZDOP-UHFFFAOYSA-N 296.345 3.870 30 20 CHED CCCCCCCS(=O)(=O)Cc1nc(C)sc1C 1322899909 ZGPAVDBFEOHHAW-UHFFFAOYSA-N 289.466 3.645 30 20 CHED C=C[C@@H](COC)N[C@H](CC)c1ccccc1OC(F)F 1324022885 SWGPHAFJZPNCLX-WCQYABFASA-N 285.334 3.530 30 20 CHED C=C[C@](C)(CC)c1nnc(Cn2c(C)nc3ccccc32)o1 1333091936 UFTZODPXNYEDAJ-QGZVFWFLSA-N 296.374 3.630 30 20 CHED CCc1ccc(N[C@H](C)c2ccc(C#N)cc2)nc1 1337774731 QQLLFTBOBUEWFP-GFCCVEGCSA-N 251.333 3.689 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1ncc(C)s1 1340097237 BIAYTEFHORLWOV-STQMWFEESA-N 293.436 3.653 30 20 CHED CCc1oc2ccccc2c1CC(=O)O[C@H]1CC[C@H](C#N)C1 1342645610 MRXKPEMBZGWSBL-STQMWFEESA-N 297.354 3.773 30 20 CHED Cc1ccc(C(=O)O[C@H](CC#N)c2ccco2)c(C2CC2)n1 1350312778 XQCCQTFSQLFSQJ-OAHLLOKOSA-N 296.326 3.672 30 20 CHED CC[C@@H](C(=O)N(C)c1ccccc1C#N)c1ccc(F)cc1 1356248488 FEWIGVJPLXUNSW-MRXNPFEDSA-N 296.345 3.854 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)[C@@]2(C#N)CC23CCCC3)[C@@H]1C 1358222735 NNXOIDGICQUOIF-WVZRYYJFSA-N 275.392 3.828 30 20 CHED N#Cc1cccc(Br)c1NCC1CCC1 1458090308 CVAQRZDQMWCCBL-UHFFFAOYSA-N 265.154 3.533 30 20 CHED CC[C@H](CC(=O)N1CCCc2cc(C#N)ccc21)C(C)C 1460300787 DSAPHPUEPWNXHY-OAHLLOKOSA-N 284.403 3.910 30 20 CHED Cc1cc(CN[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1C#N 1461024481 UQMWHVJMFLLRNI-YQYZPQCESA-N 268.404 3.781 30 20 CHED Cc1coc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1C 1525413860 HEHQCYATZWEBLH-LLVKDONJSA-N 286.356 3.720 30 20 CHED CCC[C@H]1CCCN1C(=O)Nc1cc(C#N)c(F)cc1F 1526878814 HOEYYJVJGYNUMR-NSHDSACASA-N 293.317 3.633 30 20 CHED C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc23)C[C@H]1C 1559116277 UEVPREBMESAGQR-GHMZBOCLSA-N 285.778 3.852 30 20 CHED C[C@H]1N(c2ccc(C#N)cn2)c2ccccc2C1(C)C 1559236765 RTWNQXWOTYQSID-GFCCVEGCSA-N 263.344 3.771 30 20 CHED N#C[C@H]1CCCN(CCc2cccc(Cl)c2Cl)C1 1560129743 CJZSTWTWTAUHBR-LLVKDONJSA-N 283.202 3.771 30 20 CHED C=CC[C@H](Nc1ccc([C@H](F)C(F)(F)F)cc1)C(=O)O 1588752438 WQQZJTXQAZWXGQ-QWRGUYRKSA-N 291.244 3.701 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2(C3CCCCC3)CC2)c1 1596856424 RGSGGOGJFFSQQQ-UHFFFAOYSA-N 286.350 3.996 30 20 CHED Cc1sccc1C=NNc1ccc(C(=O)O)c(Cl)c1 1600890344 AHMCUOHOQRYYKK-UHFFFAOYSA-N 294.763 3.854 30 20 CHED O=C(O)c1ccc(C=NOCc2ccc(Cl)s2)cc1 1608879692 SWHHEDMSDVPSGK-UHFFFAOYSA-N 295.747 3.650 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(O)c(F)c1 1621144833 SUKARIXFGHPXHG-UHFFFAOYSA-N 278.371 3.683 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1cc(C#N)ccc1F 1625455466 STOAWWCGMDONSK-NSHDSACASA-N 277.343 3.644 30 20 CHED CC[C@@H]1CCC[C@@H]1NCc1cc(Cl)ccc1OCC#N 1645282730 UGWBCYHCKGHKBT-DOMZBBRYSA-N 292.810 3.911 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 1653416182 COTZVTONIXNGQI-OAHLLOKOSA-N 274.383 3.955 30 20 CHED Cc1cccc2[nH]cc(CCNc3ncc(C#N)cc3F)c12 1655101206 KPCXPGQAKPWEMN-UHFFFAOYSA-N 294.333 3.537 30 20 CHED COc1ccc(C#N)cc1CSc1ccc2c(c1)CCO2 1656627782 NQTIAFGOSPNMCD-UHFFFAOYSA-N 297.379 3.794 30 20 CHED O=C(O)c1ccccc1NN=C1CCC2(CCCC2)C1 1776031993 HVGWOCQHHWLIKP-UHFFFAOYSA-N 272.348 3.897 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCc1ccc(Cl)cc1 58453737 RKJHSVHPEBJZCC-UHFFFAOYSA-N 299.761 3.842 30 20 CHED CS[C@H]1CCC[C@H](NCC(C)(C)CCC#N)C1 174406639 MZIWTCIJTRGZMQ-STQMWFEESA-N 254.443 3.580 30 20 CHED C=CCCCCCN(C)Cc1nnc(-c2ccccc2)o1 172654914 VNGZJPSNQLFRQW-UHFFFAOYSA-N 285.391 3.915 30 20 CHED CC(C)CCSCC(=O)O[C@@H](C)c1ccc(C#N)cc1 175771479 ZOWGGWZJLBDICH-ZDUSSCGKSA-N 291.416 3.942 30 20 CHED Cc1noc(C)c1C/N=C/c1cc(Cl)cc(Cl)c1O 63427681 JGORXPGATYDPHK-FZSIALSZSA-N 299.157 3.923 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H]1C=CCC1 56212725 ZHYNAOKTLRJTIV-CYBMUJFWSA-N 284.359 3.640 30 20 CHED Cc1occc1C(=O)Nc1cccc(OCCCC#N)c1 55569431 XAIBWJFAZRNFAN-UHFFFAOYSA-N 284.315 3.523 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(F)c(C#N)c1 102955038 YWXJVVURPXYSSN-SNVBAGLBSA-N 287.294 3.515 30 20 CHED C[C@H](SC[C@@H]1CCCCO1)c1ccc(C#N)cc1 118443846 GJPKBUWDQISEOF-WFASDCNBSA-N 261.390 3.922 30 20 CHED C#CCCCNC(=O)C1(c2cccc(F)c2)CCCCC1 172932067 TYQZOUSQZSQIPA-UHFFFAOYSA-N 287.378 3.557 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1ccc(O)cc1)C2=O 63411840 WZLZLDHNKCHUEA-NTEUORMPSA-N 280.323 3.668 30 20 CHED C[C@H](C#N)CN(C)C(=O)CSc1ccc2ccccc2c1 68081968 WSAZRTQMZCFYCB-CYBMUJFWSA-N 298.411 3.550 30 20 CHED N#CC1(c2nc(-c3ccc(F)c(F)c3)no2)CCCCC1 177724310 MXBBSTJKWRMRIU-UHFFFAOYSA-N 289.285 3.740 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccnc2ccccc12 179795854 DBWPBLQSSNPYBX-CYBMUJFWSA-N 268.360 3.709 30 20 CHED CCC[C@@H](C#N)NC(=O)c1csc(-c2ccccc2C)n1 66645953 QUTJNQRMJAYXPK-LBPRGKRZSA-N 299.399 3.541 30 20 CHED C=CC[C@H](C)NC(=O)N(C)CCc1cccc2ccccc12 116972029 NVQCOEQMGSZUFL-HNNXBMFYSA-N 296.414 3.988 30 20 CHED Cc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1Cl 63021707 DIWUHRBJNSPEHQ-UHFFFAOYSA-N 298.773 3.792 30 20 CHED N#Cc1ccc(Nc2cccc(CCC(F)(F)F)c2)nn1 301971657 SOQLVQVEHRYHLZ-UHFFFAOYSA-N 292.264 3.587 30 20 CHED COc1ccc([C@H]2CCN(c3cccc(F)c3C#N)C2)cc1 301125992 OHWMWZNSMOGLLL-AWEZNQCLSA-N 296.345 3.700 30 20 CHED C=CCCCC(=O)Nc1cc2c(cc1Cl)OCCCO2 177493879 XNVCXTAQHQXEPP-UHFFFAOYSA-N 295.766 3.796 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)c1sccc1C#N)CCC2 179598125 QVNXKLBFKLHECT-HNNXBMFYSA-N 296.395 3.736 30 20 CHED CC[C@@H](CC(=O)N[C@H](C#N)C1CCCCC1)C(C)C 176595365 UDJPMLWTOGIXJN-DZGCQCFKSA-N 264.413 3.647 30 20 CHED N#Cc1ccnc(SCc2ncc(Cl)cc2Cl)c1 179795281 JNXSXMJIWTXIGQ-UHFFFAOYSA-N 296.182 3.947 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3CCC[C@H]3C2)cc1 119918204 PASDKXMYOBFBGC-OKILXGFUSA-N 297.402 3.752 30 20 CHED CCCN(CC#N)Cc1csc(-c2ccc(F)cc2)n1 113930072 QTCLOVASMIUTJQ-UHFFFAOYSA-N 289.379 3.685 30 20 CHED N#Cc1ccc2nc(N3CCCCCCC3)ccc2c1 301832802 UKOXTXMPJJCDBR-UHFFFAOYSA-N 265.360 3.877 30 20 CHED CCOCc1ccc(CNc2ccc(C#N)cc2)cc1 301072882 GKQNOYIUVNSLNT-UHFFFAOYSA-N 266.344 3.707 30 20 CHED CC(C)[C@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 171919603 SIWMTXORUNIQAV-LBPRGKRZSA-N 258.365 3.718 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccnc1C)CO2 171419486 QXYUWIZJIRWTDF-DHDCSXOGSA-N 279.339 3.666 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C(C)(C)c1ccccc1Cl 171531033 OYFYAUJMMCUTDQ-GFCCVEGCSA-N 292.810 3.626 30 20 CHED N#CCC[C@H](Nc1nc(C2CC2)ns1)c1ccccc1 301815074 ZVQVJMGCPMPAGY-ZDUSSCGKSA-N 284.388 3.872 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)c1cc(C#N)cs1)C1CC1 177046337 DCCQBMPDQANISJ-WDEREUQCSA-N 276.405 3.659 30 20 CHED N#Cc1cccc(Cl)c1NCCc1cccs1 301159410 BLSCRXNADQXWHZ-UHFFFAOYSA-N 262.765 3.928 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)N(C)c1cccc(C#N)c1 68810956 SEGDUFYQMOXYQA-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED N#Cc1ccc(N2CCCC3(CCCCCC3)C2)cn1 301582186 VBSAPOVRHMDYSE-UHFFFAOYSA-N 269.392 3.894 30 20 CHED CCCC[C@H](C)C(=O)NC(C#N)(CCC)CCC 409968911 WXPFHQHTDTWYRU-ZDUSSCGKSA-N 252.402 3.791 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(Cl)s1 126198483 WVVINSLLAFSTFD-UHFFFAOYSA-N 284.812 3.994 30 20 CHED Cc1ccc(CNc2ccccc2O[C@H](C)C#N)c(C)n1 184505604 VPKLIKFYGNHOTH-CYBMUJFWSA-N 281.359 3.601 30 20 CHED CC(C)c1ccc(C(=O)N(C)[C@H](C)CC#N)cc1Cl 189246006 VGEYXHCBUKXMEI-LLVKDONJSA-N 278.783 3.838 30 20 CHED CC(C)Sc1ccccc1NC(=O)c1c[nH]c(C#N)c1 182414735 TXDNXOXGBNZWSN-UHFFFAOYSA-N 285.372 3.639 30 20 CHED C[C@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)[C@@H]1C 301499281 WCTZKXLSBADCAF-VHSXEESVSA-N 268.282 3.812 30 20 CHED CC(C)c1nsc(N(Cc2ccc(C#N)cc2)C2CC2)n1 301933853 RAVWLJKAAUOJFN-UHFFFAOYSA-N 298.415 3.702 30 20 CHED C=CCCCCNc1ncnc2nc(SC)sc12 302232601 CRGZWFZCBMPAPD-UHFFFAOYSA-N 280.422 3.576 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)[C@H]1CC 185189603 XVPOTYUTGKSGKP-MELADBBJSA-N 252.402 3.561 30 20 CHED N#Cc1ccc(Cl)cc1Oc1cnc2ccccc2n1 474793783 XQHHKKMAIIBETD-UHFFFAOYSA-N 281.702 3.947 30 20 CHED COCc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 38010522 IHSVKDHNSAXXKM-CQSZACIVSA-N 280.371 3.555 30 20 CHED C=C(C)CN(C)Cc1ccccc1OCc1cccnc1 181050636 MVTZQYCLUBNSOU-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)c1ccco1 181393722 BISUTJHEJCVOJZ-QWHCGFSZSA-N 264.369 3.727 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(C(=O)CC)c1 120920004 LLMGONYQYQESGM-UHFFFAOYSA-N 271.360 3.986 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@H](c2ccncc2)C1 520424631 AEYSBDTZBHRNNU-MRXNPFEDSA-N 271.408 3.591 30 20 CHED C[C@@H](c1ccncc1)N(C)CCC1(C#N)CCCCC1 411423315 OODAXDCHJCQEKB-HNNXBMFYSA-N 271.408 3.939 30 20 CHED N#CC1(CC[S@](=O)CCC(F)(F)F)CCCCC1 414248094 UVNTVKXEOHYLNU-SFHVURJKSA-N 281.343 3.552 30 20 CHED C=CC[C@@H](C(=O)N1CCCC[C@H]1C)c1ccccc1 186040910 COGHRZVZMUOTSF-GDBMZVCRSA-N 257.377 3.747 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C(C)=O)cc1 121538139 XCLVVQIVTYKDDN-UHFFFAOYSA-N 257.333 3.596 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC1(C)C 413677257 PYMHCRAZJUSTTP-INIZCTEOSA-N 299.418 3.524 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C)c(F)cc1F 121695257 YJQXOJPSIATISG-UHFFFAOYSA-N 294.345 3.866 30 20 CHED CCc1cc(C#N)ccc1OCc1nnc(C(C)C)s1 418985839 GGRAZZATMCJBLD-UHFFFAOYSA-N 287.388 3.675 30 20 CHED COc1cc(C#N)ccc1NCc1cc2ccccc2o1 127973195 RSUJGLUZBZMLRA-UHFFFAOYSA-N 278.311 3.925 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccc(F)c(Cl)c1 411634878 MGQUDZUBJQDBAT-JTQLQIEISA-N 254.736 3.603 30 20 CHED Cc1ccccc1[C@@H]1CCCN1CCCSCC#N 74981991 XUMLHESTUZIYPV-INIZCTEOSA-N 274.433 3.779 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 216320526 PZPSDTHATJOKML-UTCJRWHESA-N 277.663 3.737 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2cc(F)cc(F)c2)c1C 126508994 KFKVEWMIZUCGAQ-AATRIKPKSA-N 290.313 3.694 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(C#N)cc1 341243651 RFJYYFHDCWPFFB-NWDGAFQWSA-N 259.353 3.504 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C)c(C)c1 126232807 KAJLQSIKPMLDLW-UHFFFAOYSA-N 272.392 3.896 30 20 CHED CC(C)N(CCC#N)Cc1cccc(Cl)c1F 218995566 CAVYVCNWYGPUHE-UHFFFAOYSA-N 254.736 3.603 30 20 CHED C#Cc1cccc(NC(=O)[C@H](c2ccccc2)C2CC2)c1 121385112 TZRWTKWWBWVOIH-GOSISDBHSA-N 275.351 3.800 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(C2CCC2)c1 410015834 MPMILPWJRDBSNR-ZWKOTPCHSA-N 299.414 3.665 30 20 CHED Cc1ccsc1/C=C1\Cc2cc(O)ccc2C1=O 187224058 HVOFJTSNMXISJN-DHZHZOJOSA-N 256.326 3.585 30 20 CHED C=CCOc1ccc(OC(=O)C2(OC)CCCCC2)cc1 187450728 RGUGIBHQHIOIDO-UHFFFAOYSA-N 290.359 3.506 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1F)c1ccc(OC)cc1 413031206 WXVLDPFTMTZVAW-OAHLLOKOSA-N 285.322 3.664 30 20 CHED CCOC(=O)[C@@H](CC)SCCC1(C#N)CCCCC1 412995545 CZSIZIGFKRLPPW-CYBMUJFWSA-N 283.437 3.925 30 20 CHED Cc1nnc(-c2cccc(N[C@H]3CCC[C@H](C#N)C3)c2)o1 185748418 YUNPEQHGSAZJBK-JSGCOSHPSA-N 282.347 3.539 30 20 CHED CC(C)CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411253880 HFRSQHXMHDDVNB-RRQGHBQHSA-N 284.403 3.603 30 20 CHED Cc1cc(NCC2(C#N)CCC2)c2cccc(F)c2n1 419018655 HVVNIERSACXGMZ-UHFFFAOYSA-N 269.323 3.788 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)o1 78998371 AGNVEGMGYVJEPW-YGRLFVJLSA-N 297.314 3.795 30 20 CHED C=C(C)CN(C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 181282532 YVUDQTQGAVATRO-HNNXBMFYSA-N 288.435 3.953 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@H](C)c1nc2ccccc2n1C 187973050 TVARAJLDGVNEDY-PXAZEXFGSA-N 286.375 3.780 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](C)Sc1ccccc1 188461970 DJCZLVRFDAPPBO-CZUORRHYSA-N 277.433 3.886 30 20 CHED Cc1c(-c2ccc(Cl)cc2)nnn1CCC(C)(C)C#N 419011126 ZDFCROQBEVTNQX-UHFFFAOYSA-N 288.782 3.847 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)CCSCC)c1ccccc1 188344935 YLKWOAWPISDUHF-GOEBONIOSA-N 291.460 3.994 30 20 CHED CN(C[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1C#N 48950206 LESLKVKGAJOWEV-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(F)cc2C#N)C1 133778049 WHCHXTUNAFNVBM-BXUZGUMPSA-N 289.354 3.740 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](CC)CSC)c1 181760656 PDSUDQLXEVSGAK-LBPRGKRZSA-N 294.420 3.515 30 20 CHED CC(C)CC[C@@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 42999307 JPGCZDRKAPARRN-CQSZACIVSA-N 287.407 3.524 30 20 CHED CC(C)CCC[C@H](C)NC(=O)NCc1ccc(C#N)cc1 47616673 NBVUDLPYTFUSJG-AWEZNQCLSA-N 287.407 3.572 30 20 CHED C=CCCN[C@@H](c1cccc(Cl)c1)c1ccccn1 133754636 LFEFBMYFEIIYDS-INIZCTEOSA-N 272.779 3.990 30 20 CHED Cc1ccncc1[C@@H](C)NCc1ccc(C#N)cc1Cl 615231342 RDIDBPPHBVUZJT-GFCCVEGCSA-N 285.778 3.766 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CCC2CCCCC2)n1 41519590 LQTGXSZQMZMQDB-ZDUSSCGKSA-N 276.405 3.988 30 20 CHED C#CCN(C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 192238760 DEUYCUYRPWDHOS-LBPRGKRZSA-N 288.778 3.929 30 20 CHED CCCc1nc(COc2ccc(C#N)cc2)cs1 42274055 JUAKCVCGGSTIIO-UHFFFAOYSA-N 258.346 3.546 30 20 CHED COc1ccccc1CN(CCC#N)Cc1cccs1 46437752 HWQCONMJOPWZEA-UHFFFAOYSA-N 286.400 3.673 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(C)ccc1F 45169946 IRBGHQAXFLPYFI-UHFFFAOYSA-N 285.318 3.951 30 20 CHED Cc1ncsc1CCSCc1ccc(CC#N)cc1 507131141 DALIPXCNYHRNQM-UHFFFAOYSA-N 288.441 3.994 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)o1)CC2 501723323 KPFJSDBTKJGZRL-MRXNPFEDSA-N 294.354 3.692 30 20 CHED CC1(C)CN(c2ncccc2C#N)C[C@H]1c1ccccc1 135575772 FTOWMEONKYDWPQ-INIZCTEOSA-N 277.371 3.583 30 20 CHED C[C@@H]1CCC[C@H](/C(O)=N/CCc2cnc(C3CC3)nc2)C1 328772478 BEPQFNUHPSJFCX-DOMZBBRYSA-N 287.407 3.679 30 20 CHED Cc1cscc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 429605218 PACOYMWATXBXEQ-NSHDSACASA-N 295.367 3.731 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc2occc2[nH]1 131536647 KZRWCMBSJFTTHL-UHFFFAOYSA-N 294.354 3.632 30 20 CHED CC(C)=CCOc1ccc(CC[C@@H](C)NCCC#N)cc1 426006212 VRQKCPHICDTRRS-MRXNPFEDSA-N 286.419 3.856 30 20 CHED COc1cc(CNC(C2CCC2)C2CCC2)ccc1C#N 325070375 BZQXVULCQDAVFK-UHFFFAOYSA-N 284.403 3.625 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CC1CCCC1 194221888 ZLXCIQBQFWEPBE-UHFFFAOYSA-N 275.367 3.921 30 20 CHED CC1CCC(C)(/N=C(/O)[C@H]2CCC(=O)c3cccn32)CC1 329880402 NMOGECHYPOUDMF-KDJCLPLCSA-N 288.391 3.931 30 20 CHED Cc1csc(C2(/N=C(/O)[C@@H]3O[C@H](C)C[C@H]3C)CCC2)n1 328657440 OZXOAERDUIZJKI-YUSALJHKSA-N 294.420 3.601 30 20 CHED Cn1cc(N=C(O)NC2(C)CCCC2)c(-c2ccccc2)n1 329566435 SURZVIMUVRNUIE-UHFFFAOYSA-N 298.390 3.555 30 20 CHED Cc1coc(-c2cccc(N=C(O)N3C[C@@H]4CCC[C@H]43)c2)n1 329933972 QHUCZASGPCOPSI-DZGCQCFKSA-N 297.358 3.680 30 20 CHED Cc1cc([C@@H](C)Nc2nc3c(cc2C#N)CCC3)c(C)o1 44730819 ZHUCSZVYGXBPEU-LLVKDONJSA-N 281.359 3.825 30 20 CHED N#Cc1cc(NC(=O)[C@H]2CSc3ccccc32)ccc1F 83774525 FRMBFDWUBKDVMI-ZDUSSCGKSA-N 298.342 3.525 30 20 CHED N#Cc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 43468467 AQMXTTGRJMVNPN-UHFFFAOYSA-N 295.386 3.649 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccccc2C)no1 426402015 BKHKESGHZTZQOC-UHFFFAOYSA-N 256.349 3.823 30 20 CHED C[C@@H]1CCC[C@H](CC(O)=Nc2ccc3nncn3c2)C1 329097002 CATWCWNYUVVNPJ-NEPJUHHUSA-N 272.352 3.534 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(OC)ccc1Cl 224908456 XBKFSBNNKAHDOH-UHFFFAOYSA-N 267.756 3.889 30 20 CHED CC(C)(C)OCCCOc1ccc(C#N)c(Cl)c1 615175513 JJOPNXDCXQSYMS-UHFFFAOYSA-N 267.756 3.796 30 20 CHED C=CC[C@H](CC)NC/C=C\c1ccc(F)c(F)c1 512344562 YKHGAQZINLZQCT-VGVVRCBHSA-N 251.320 3.922 30 20 CHED CN(Cc1ccccc1Br)CC1(CC#N)CC1 88259323 WNLSAUBZEKENQW-UHFFFAOYSA-N 293.208 3.575 30 20 CHED N#CCCC1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1 335380730 PMRIDPSJDZJFGE-UHFFFAOYSA-N 296.374 3.716 30 20 CHED CCO[C@H]1C[C@H](Nc2cccc(F)c2C#N)C12CCCC2 85679285 FEDMLJYDYMINJF-HOTGVXAUSA-N 288.366 3.847 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@@H](C)CC(C)(C)O 331358661 VLWQLEWCJHKJDA-JTQLQIEISA-N 298.452 3.504 30 20 CHED C[C@@H](NCc1ccc(F)c(C#N)c1)c1c(F)cccc1F 223633816 XCWSGYSOHLRJTK-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=CC[C@H]1N(Cc2ncnn2C(C)(C)C)CCCC1(C)C 338362767 MVLFZEJPMVPBDV-CQSZACIVSA-N 290.455 3.600 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(C(F)F)c2)ccc1F 335769700 CZMMXZMVSJRFCT-UHFFFAOYSA-N 290.244 3.887 30 20 CHED CC(C)Oc1cc(O)ccc1N=C(O)C1=CCCC1 331195073 NAHQAEPWPBDWAG-UHFFFAOYSA-N 261.321 3.878 30 20 CHED Cc1ccc(C(=O)N2CCC(C)(C#N)CC2)c(Cl)c1C 334886204 SDDPOGLIRBFBCB-UHFFFAOYSA-N 290.794 3.723 30 20 CHED Clc1ccccc1C#CCN1CC[C@@H]2CCC[C@H]21 426462056 RWPMKPCCJCTXCO-GOEBONIOSA-N 259.780 3.566 30 20 CHED CC(C)Oc1cncc(/C(O)=N/C[C@H]2CC[C@@H](C)C2)c1 331089175 ULOWYORTALLGSG-OLZOCXBDSA-N 276.380 3.610 30 20 CHED C=CCC(C)(C)C(=O)NCc1c(F)cccc1Cl 429805788 KOSRIBCYAISJRJ-UHFFFAOYSA-N 269.747 3.698 30 20 CHED CC(C)CN1C(=O)c2ccccc2N[C@@]12CCC[C@@H](C#N)C2 334883809 RFGOFCVCYMKREK-KDOFPFPSSA-N 297.402 3.620 30 20 CHED C=CCN(CCC#N)[C@@H](C)CCc1cccc(F)c1 430101710 NMZUFEBHAGRXHN-AWEZNQCLSA-N 260.356 3.548 30 20 CHED CCC1CCN(Cc2ccc(C#N)cc2Cl)CC1 162876576 BHCPWFBFXLXVJX-UHFFFAOYSA-N 262.784 3.834 30 20 CHED N#Cc1ccncc1NCCc1csc2ccccc12 94138609 GWTNJASEHZDPSH-UHFFFAOYSA-N 279.368 3.823 30 20 CHED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 335674020 OOFHOTBIZONOKK-SCLBCKFNSA-N 262.356 3.896 30 20 CHED C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccncc1F 338347035 UHPVPIIGYZHXEG-ZDUSSCGKSA-N 297.377 3.873 30 20 CHED CC1(C)COc2c(C(=O)Nc3sccc3C#N)cccc21 336250923 SFPDCRXFFUXCAG-UHFFFAOYSA-N 298.367 3.542 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C 335584225 SNAYMTUTMFBBLH-QWRGUYRKSA-N 291.782 3.526 30 20 CHED Cc1ccnc(N(C)Cc2ccc(F)c(Cl)c2)c1C#N 432872673 NRSQQSZGEYWLQC-UHFFFAOYSA-N 289.741 3.691 30 20 CHED N#Cc1ccc(CN2CCC(Cc3cccc(F)c3)CC2)o1 92103027 ZVXAEXJKIJVHKC-UHFFFAOYSA-N 298.361 3.745 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ncsc1C(F)(F)F 527170427 JNHSVIDWWWSIBK-MRVPVSSYSA-N 292.326 3.637 30 20 CHED CC(C)n1nccc1CNc1cccc(OCCCC#N)c1 347856154 VVDLIXVHBQYBQC-UHFFFAOYSA-N 298.390 3.759 30 20 CHED C=C(CNC(=O)c1cccc(C(C)C)n1)c1ccccc1 345756777 YXJFQKXZTPPQCQ-UHFFFAOYSA-N 280.371 3.648 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(-c2ccco2)nc1C 341652643 PJIPIIFQXARLMX-ZDUSSCGKSA-N 284.359 3.735 30 20 CHED Cc1c([C@@H](C)NCCc2cccc(C#N)c2)cnn1C(C)C 343507391 HLOFFIRVIDXGSN-CQSZACIVSA-N 296.418 3.537 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)NCC(C)(C)CCC#N 345891934 UAGOGNNWKJTDFF-ZIAGYGMSSA-N 264.413 3.649 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2c1OCC[C@H]2OC 344924297 IJOIBZLPETWGDL-PBHICJAKSA-N 289.375 3.697 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H]1CCSC1)c1ccccc1 435292632 YVBXXZGOKGWITC-HUUCEWRRSA-N 275.417 3.563 30 20 CHED N#Cc1ccc2[nH]c(-c3nc4ccc(F)cc4s3)nc2c1 430888502 YTIKLPOXLZLWCH-UHFFFAOYSA-N 294.314 3.850 30 20 CHED C=C(CC)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 539104033 KOPJQYLOIDWYAW-IRXDYDNUSA-N 254.377 3.724 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 435573942 KZBBEXSTKNEFHO-IUODEOHRSA-N 270.282 3.804 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1Br 182625741 UWRLPSDPXJFGNL-LLVKDONJSA-N 296.208 3.924 30 20 CHED CCc1occc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 430513927 ZLCICCSSNWHTSL-LBPRGKRZSA-N 293.326 3.517 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2ccc(C)c(OC)c2)CCC1 342370385 DWTKFSUEBYWWHC-CQSZACIVSA-N 287.403 3.506 30 20 CHED C=CCOc1cccc(CN[C@H](C)c2ccnc(OC)c2)c1 342292256 FZGRQFJEFWJYLM-CQSZACIVSA-N 298.386 3.506 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 528666660 YKJWSIDFXWYQQK-DOTOQJQBSA-N 298.430 3.969 30 20 CHED C#CC[C@@H](OC(=O)/C=C\c1cccc(F)c1)c1ccccn1 255563173 ASAVKGRVSNSJNU-QXPKXGMISA-N 295.313 3.542 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2scnc2c1 439524014 YECSUYBOWDESGJ-JTQLQIEISA-N 275.377 3.773 30 20 CHED COCCNc1ccc(-c2csc(C)c2)cc1C#N 600779055 OKYNKASKIBMAQW-UHFFFAOYSA-N 272.373 3.654 30 20 CHED Cc1sc(CNCc2ccc(C#N)cc2)nc1C(C)C 344145595 DEUUQKRWFDZFBD-UHFFFAOYSA-N 285.416 3.736 30 20 CHED C=C(C)CN(CC)C(=O)CSCCCc1ccccc1 603770678 MAGHFZGCUHOPHX-UHFFFAOYSA-N 291.460 3.777 30 20 CHED Fc1ccc(C=NOCc2cccc3cccnc23)cc1 255868084 QXCWQOOPGQNTTR-UHFFFAOYSA-N 280.302 3.925 30 20 CHED C[C@H](C=NNc1nc2ccccc2[nH]1)c1ccccc1 254412181 LBGQVLARMMBDQC-GFCCVEGCSA-N 264.332 3.764 30 20 CHED C[C@@H](CCC#N)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 602663157 JREYGOWKLBKQGU-RWMBFGLXSA-N 276.346 3.979 30 20 CHED CC(C)COc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442866517 LWJLRYDTWFGYIT-ZFWWWQNUSA-N 258.365 3.826 30 20 CHED C=CCOc1ccccc1-c1nc([C@H]2CC[C@H](C)O2)no1 528238664 MDVCDGIHKIAOLD-SMDDNHRTSA-N 286.331 3.541 30 20 CHED CSc1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)co1 601180215 KCZRZEFXEITKCP-OAHLLOKOSA-N 292.404 3.594 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CCc3ccc(F)cc32)n1 521627646 JUNLJJJNNQLHJT-INIZCTEOSA-N 281.334 3.809 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl 448985780 YYMZDPKJXCXLGE-XUJVJEKNSA-N 290.794 3.847 30 20 CHED CC(C)(C)c1cnc(CN2CCCC(C)(C)[C@@H]2C#N)s1 448358177 BQULXUNGSCKVSZ-LBPRGKRZSA-N 291.464 3.955 30 20 CHED C=CC[C@H]1N(C(=O)c2sccc2OC)CCCC1(C)C 443860246 ORTKOUPEVRVUNE-CYBMUJFWSA-N 293.432 3.964 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1nc(C(C)C)cs1)C1CC1 255171124 VHOZDQSKWKGWAL-GYGFLDJKSA-N 274.389 3.799 30 20 CHED C=CC[C@H](CC)NC(=O)c1ncccc1Oc1ccccc1 440903592 MLHDHJVLOFUCCN-AWEZNQCLSA-N 296.370 3.958 30 20 CHED C=CCN(C(=O)c1ccc(N(CC)C(C)C)cc1)C1CC1 357967010 WPLCUNYTMVAMRM-UHFFFAOYSA-N 286.419 3.712 30 20 CHED N#Cc1ccc(-c2ccc(C3CCNCC3)cc2)cc1 600777837 UTDSPTAZQWJTGV-UHFFFAOYSA-N 262.356 3.692 30 20 CHED C[C@H](CCC#N)CN(Cc1ccco1)Cc1ccco1 602435769 UJOPJDGQNWXJLE-CQSZACIVSA-N 272.348 3.815 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)Cc1ccccc1C 538714714 RXJSZBAMLKITQA-HOCLYGCPSA-N 274.408 3.580 30 20 CHED C[C@H](CCC#N)CN1CC=C(c2ccc(C#N)cc2)CC1 602494311 NEDLQGDLPQWPKX-OAHLLOKOSA-N 279.387 3.587 30 20 CHED C=C(C)[C@H](CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21)OCC 535895726 LBFHQPBHIJZCLU-YVSFHVDLSA-N 293.451 3.785 30 20 CHED CN(C(=O)C1(Cc2ccccc2)CC1)c1ccc(C#N)cc1 269656964 JJLFXVDZIDIVNX-UHFFFAOYSA-N 290.366 3.544 30 20 CHED C=CC[C@H]1N(CCc2ccncc2)CCCC1(C)C 352367614 AHTOLDZCDGMRGP-MRXNPFEDSA-N 258.409 3.691 30 20 CHED C=CC[C@H](CO)CNCc1cccc(-c2ccccc2)c1 538123193 HJBDBNCHTZYYAR-KRWDZBQOSA-N 281.399 3.628 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H](C)CCC#N)C1 351187060 VNVSZFYIBDSONV-ARFHVFGLSA-N 256.393 3.865 30 20 CHED C=CCCOCCCCC(=O)NC1[C@@H](C)CCC[C@@H]1C 537317469 JLLGRDQEJRDPLZ-GJZGRUSLSA-N 281.440 3.690 30 20 CHED N#Cc1cc(N(C#N)Cc2ccc3c(c2)CCC3)ccc1F 351826803 JOVPOEXNFJUZIB-UHFFFAOYSA-N 291.329 3.674 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccc(CC#N)cc1 534655469 LEJKWFPCVMIOEM-INIZCTEOSA-N 272.392 3.841 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCC[C@](C)(C#N)C1 612125346 PLCTYXRWAPAMKH-HLLBOEOZSA-N 291.439 3.538 30 20 CHED Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)cc(C(F)(F)F)c1 617033430 LWCXHTFUJXPUGR-JTQLQIEISA-N 299.296 3.780 30 20 CHED C=CCC[C@H](NC[C@H]1CCCS1)c1ccco1 353395648 QMIRRUGXASJVRC-OLZOCXBDSA-N 251.395 3.772 30 20 CHED N#Cc1ccc(NCCCCc2ccccc2)c([N+](=O)[O-])c1 619568878 RCCLQHGYEPKKOZ-UHFFFAOYSA-N 295.342 3.901 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccccc1C)C1CC1 357523204 DISXJYDMHPZDIB-CQSZACIVSA-N 257.377 3.666 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)s1 267235446 WMPNLGOLFNJCFC-INIZCTEOSA-N 268.385 3.705 30 20 CHED C=CCCOCCCCC(=O)NC(C)(C)c1cccs1 539401690 RLQMHMNVKLCMGE-UHFFFAOYSA-N 295.448 3.862 30 20 CHED CC[C@@H](CC(=O)N(CCC#N)CC1CC1)c1ccccc1 264014126 CIKCSVGSCZZYMY-INIZCTEOSA-N 284.403 3.723 30 20 CHED CC(C)N(CCC#N)C(=O)Cc1ccc(C(C)(C)C)cc1 531954894 YMPMLQFJQRLHQQ-UHFFFAOYSA-N 286.419 3.677 30 20 CHED CC[C@@H](NCCCOc1cccc(C#N)c1)C(C)(C)C 539492077 FUOZIXXFHGJHJA-MRXNPFEDSA-N 274.408 3.741 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 452771845 BYGIURNASWZMLQ-QWRGUYRKSA-N 297.320 3.536 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(SCC)nc2)C1 617783549 BNWZUAZEOVIDLE-CYBMUJFWSA-N 290.432 3.622 30 20 CHED CC1CCC(C)(NC(=O)c2ccc(Cl)c(C#N)c2)CC1 539784621 DWDGOLUJCCKCDV-UHFFFAOYSA-N 290.794 3.910 30 20 CHED C#Cc1ccc(CNc2cccc(-c3nnc(C)o3)c2)cc1 367379249 ZGIANZNUXSNDCA-UHFFFAOYSA-N 289.338 3.638 30 20 CHED COc1ccc(CN2CCC[C@](C)(C#N)C2)c2ccccc12 612406770 SUZKEDHNZVIKOP-LJQANCHMSA-N 294.398 3.974 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 451350778 DKHMAVLICOFAGQ-CZUORRHYSA-N 297.801 3.847 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1ccc(C#N)cc1F 610004207 FJSJXXHFFIEVMP-LBPRGKRZSA-N 298.336 3.956 30 20 CHED CC1(C)CCC(CNC(=O)N2CCC[C@](C)(C#N)C2)CC1 612149495 RLCNKDJWWCOHJU-QGZVFWFLSA-N 291.439 3.538 30 20 CHED C=CCCC1(C(=O)N2Cc3ccc(Cl)cc3C2)CC1 458301899 WQLFNMVRLSHOQS-UHFFFAOYSA-N 275.779 3.929 30 20 CHED CC[C@H](C)n1ncc(NC(=O)C2(C#N)CCCCC2)c1C 361308812 GUIBDYMDNSXMMV-LBPRGKRZSA-N 288.395 3.575 30 20 CHED Cc1cccc2c(=NC[C@H]3CCCCS3)c(C#N)c[nH]c12 612094528 DTNQMWWMYSASGL-CQSZACIVSA-N 297.427 3.534 30 20 CHED CC#CCSCc1cc(-c2ccc(OC)cc2)no1 613274850 VOHKAIIESWXGOL-UHFFFAOYSA-N 273.357 3.607 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1c1ncccc1C#N 450598987 KBOCXOYADUBXCB-KEYYUXOJSA-N 277.371 3.724 30 20 CHED CC(=O)CCCCCOc1cc(Cl)cc(C#N)c1 450962823 RHBDYOJJAWGASG-UHFFFAOYSA-N 265.740 3.740 30 20 CHED CC1=CCN(c2c(C#N)cnc3c(F)ccc(F)c23)CC1 611116220 NHPBZPLXFUZUAC-UHFFFAOYSA-N 285.297 3.541 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)[C@@]1(C#N)CC12CCCC2 452158706 INVZCAIEFPZGSQ-KRWDZBQOSA-N 276.424 3.649 30 20 CHED N#Cc1ccc(CNCc2ccc(F)c(F)c2)cc1Cl 619748283 GJDCKZOJNZADHO-UHFFFAOYSA-N 292.716 3.780 30 20 CHED C=CCCc1nc(CCc2ccc(OC(F)F)cc2)no1 274045146 WRGHWZRJFOLVQO-UHFFFAOYSA-N 294.301 3.575 30 20 CHED CCSc1cccc(CN2CCC[C@@](C)(C#N)C2)c1 613746434 WNHUHTPRIOKDTP-INIZCTEOSA-N 274.433 3.924 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccc(SC)cc1 454936506 PYTYNRUGTSZVSU-GFCCVEGCSA-N 278.421 3.735 30 20 CHED C=CCC[C@H](CCC)NCC[C@@H]1CCO[C@H](C)C1 542488215 CLXVAPSATGESEJ-OAGGEKHMSA-N 253.430 3.916 30 20 CHED C=C(C)CCNC(=O)N1CCCC[C@H]1CC(C)C 459001838 NIYKLECMNMJJAB-AWEZNQCLSA-N 252.402 3.563 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cc(F)ccc2C)no1 273891243 VXBBKXQNZWEYLA-LLVKDONJSA-N 276.311 3.838 30 20 CHED CCCc1cc(C(=O)Nc2sc(CC)cc2C#N)ccn1 361599869 HHIJHVNJLNQREP-UHFFFAOYSA-N 299.399 3.782 30 20 CHED C=CCCC(=O)N1CCCCc2c(Cl)cccc21 544456130 ILQPPMUGZXXCBT-UHFFFAOYSA-N 263.768 3.976 30 20 CHED CC[C@@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)s1 273521727 QRGMVWSQLQPONG-WDEREUQCSA-N 281.812 3.886 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)c2c(C)noc2C)CCCC1 450204670 VSZUHNGVFVAMBL-GFCCVEGCSA-N 290.407 3.648 30 20 CHED C=CCOCCNC(C)(C)c1ccc(OCC(C)C)cc1 549928740 ZQONAYBLEXXIAW-UHFFFAOYSA-N 291.435 3.749 30 20 CHED C=CC[C@@H](C)N[C@H](COC)c1cccc(C(F)(F)F)c1 540168982 JBGHNDZUTAYNBV-BXUZGUMPSA-N 287.325 3.947 30 20 CHED CC[C@H](CC#N)NCc1ccc(-c2ccccc2F)o1 273851686 KDUAJKQEDOCJFX-GFCCVEGCSA-N 272.323 3.868 30 20 CHED C=CCCS(=O)(=O)N1c2ccccc2CC[C@@H]1CCC 546072587 DXUSIFBITBSXHS-HNNXBMFYSA-N 293.432 3.514 30 20 CHED CC#CCCCC(=O)Nc1ccccc1NCCC 276831322 OPKOHXKQTZKQTO-UHFFFAOYSA-N 258.365 3.641 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 468018028 XFSQQJHSYFAXII-MLGOLLRUSA-N 295.810 3.826 30 20 CHED CC#CCCCC(=O)NC(C)(C)c1ccc(CC)cc1 466873478 QBGSDOZGEFLFNI-UHFFFAOYSA-N 271.404 3.794 30 20 CHED C=C1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 462798910 PAQIGLSGZARVMN-UHFFFAOYSA-N 287.403 3.794 30 20 CHED CC(C)c1ccc(C[C@H]2CCN(C(=O)C(C)(C)C#N)C2)cc1 372052696 GTPCDOAWGWPEOM-MRXNPFEDSA-N 298.430 3.751 30 20 CHED Cc1ccc(C(=O)N(CC#N)c2ccccc2)c2c1CCC2 460064929 PIKHFIDJHSLOIK-UHFFFAOYSA-N 290.366 3.654 30 20 CHED C=CCOc1ccc(CNC(=O)c2ccoc2C(C)C)cc1 286115489 XYDWSYPZTQLSPI-UHFFFAOYSA-N 299.370 3.898 30 20 CHED C=CCN(C)C(=O)Nc1c(CC)cc(C)cc1CC 280731156 KNYSYXVHDSXELM-UHFFFAOYSA-N 260.381 3.770 30 20 CHED N#Cc1[nH]c(=N[C@H]2CCC[C@H]2c2ccccc2)ccc1Cl 558117086 QRQHUUOAIXBHEY-ZFWWWQNUSA-N 297.789 3.777 30 20 CHED COc1cc(CNC(C)(C)c2cccc(F)c2)ccc1C#N 281802488 VKZINOWYRREENV-UHFFFAOYSA-N 298.361 3.731 30 20 CHED C=CCC[C@@H](NC(=O)c1cnc(C2CC2)o1)c1ccccc1 639991129 MFMGVXKMNGISQE-OAHLLOKOSA-N 296.370 3.989 30 20 CHED C=CCOc1cccc(CNc2cccc(C(=O)O)c2C)c1 551059302 KQAUVXAPHSYTLM-UHFFFAOYSA-N 297.354 3.870 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 286772927 LRNNHMNFNZADRB-WMZOPIPTSA-N 284.403 3.853 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(-c2ccncc2)cs1 636416071 ANUQPYKVVIZNNG-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=CCCCCCCNC(=O)c1sccc1CN(C)C 286937232 HFNPJTKCBVPUFI-UHFFFAOYSA-N 294.464 3.676 30 20 CHED C=C[C@H](Nc1cccc(Oc2ccccc2)c1)C(=O)OC 385250359 NSECZWSSAOCBEJ-INIZCTEOSA-N 283.327 3.618 30 20 CHED C=CCOCCN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 555333583 CGOFCCFJULMZMX-LBPRGKRZSA-N 287.325 3.901 30 20 CHED CCCOc1ccc(NC(=O)[C@@](C)(C#N)CC)c(C)c1 288492784 YRWVEWSYKJGRRP-MRXNPFEDSA-N 274.364 3.662 30 20 CHED Cc1ccc(C)c(CC(=O)N[C@](C)(C#N)C2CCCCC2)c1 550352363 YNFCTIPKBWXTJR-LJQANCHMSA-N 298.430 3.825 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C(C)=C/CC 804560241 XGURCXUYGVQDHS-OVCLIPMQSA-N 289.423 3.725 30 20 CHED C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)CCCC#N)C1 291448827 LAVFPTMMWAWKDI-ZBFHGGJFSA-N 270.376 3.680 30 20 CHED COc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)c(C)cc1C 297033868 LFVLGHDXAXAPCH-GOSISDBHSA-N 298.386 3.725 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCCC2(CCCCC2)C1 473799061 HASRAFDZJZSYAS-KRWDZBQOSA-N 293.451 3.788 30 20 CHED C=CCCCCCCCCNC(=O)[C@H]1CCSC1 805278296 XAADLTHXMSRWTL-AWEZNQCLSA-N 269.454 3.772 30 20 CHED C=C[C@](C)(CC)C(=O)OC[C@@H](OC)c1ccccc1 801861095 POORMENDLIYXCD-GDBMZVCRSA-N 262.349 3.520 30 20 CHED CC(C)c1ccc(CN(C)c2cc(C#N)ccn2)cc1 561080062 VZPBAUPCEKGTNN-UHFFFAOYSA-N 265.360 3.713 30 20 CHED CCN(C[C@H](O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 299031133 HXVQPBXAKRQKOL-BEFAXECRSA-N 294.398 3.675 30 20 CHED Cc1cc(OC(=O)CCC(C)(F)F)c(C)c(C)c1C#N 809036535 ZRIKRUIVOBHYGR-UHFFFAOYSA-N 281.302 3.824 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(CCC#N)CC(C)(C)C 475647719 MFSUEZBSZWQYOI-LSDHHAIUSA-N 278.440 3.991 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CC(C)(C)C1CCCCC1 476725557 KWPUMYKQWQUIER-CQSZACIVSA-N 264.413 3.647 30 20 CHED C=CCOc1ccc(OCc2ncc(Cl)s2)cc1 478944309 NVGZNAPROPFLOL-UHFFFAOYSA-N 281.764 3.940 30 20 CHED CC(C)(C)c1cc(C(=O)OCC#N)c(O)c(C(C)(C)C)c1 807004551 OXPVQNOEVWHBLM-UHFFFAOYSA-N 289.375 3.668 30 20 CHED C=CCCC1(c2nc(Cc3c(F)cccc3F)no2)CC1 563916594 CQYMWDIRVOJGFZ-UHFFFAOYSA-N 290.313 3.936 30 20 CHED CC#CCN(C)C(=O)Nc1sc(-c2ccccc2)nc1C 297340161 ZMMJDBHTGCPNGC-UHFFFAOYSA-N 299.399 3.606 30 20 CHED C=CCOCCCN[C@@H](c1ccc(F)cc1)C1CCC1 470770535 CJWZJDDMUWICAV-QGZVFWFLSA-N 277.383 3.849 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C)c1nnc(C)o1 298825455 BJFSHDFIAOFPCR-LBPRGKRZSA-N 263.385 3.507 30 20 CHED C=CCCCCNC(=O)Nc1cc(OC)ccc1OCC 473668865 ACIZJYPNBRMXFZ-UHFFFAOYSA-N 292.379 3.572 30 20 CHED CC[C@H]1CCC1=NNc1ncnc2c1oc1ccccc12 807959441 SWVNWFASOYLYOV-JTQLQIEISA-N 280.331 3.964 30 20 CHED C#CC[C@@H](NCc1ccc(O)c(OCC)c1)c1ccccc1 297562265 HFXPLQWWAZXSOO-QGZVFWFLSA-N 295.382 3.645 30 20 CHED CCCCCCCCC(=O)NCc1nccs1 298805882 LNKSLQHKICPGQZ-UHFFFAOYSA-N 254.399 3.510 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC[C@H]1COCC 474726646 GEHYQWSVANXQFC-DLBZAZTESA-N 289.419 3.546 30 20 CHED C=CCCCCNC(=O)c1cc(C)n(C2CCCCC2)n1 471674675 VHFDCAIAQDMCSZ-UHFFFAOYSA-N 289.423 3.783 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(CCC#N)CC1 566149557 IULCFKZTZJRYLT-ZBFHGGJFSA-N 291.439 3.538 30 20 CHED C#CCON=Cc1c(-c2ccccc2)[nH]c2ccccc12 812234783 VQNCIBCBYCCCDJ-UHFFFAOYSA-N 274.323 3.819 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCSC(C)(C)C3)c2c1 488119324 AOMZBRMLWYKCRF-UHFFFAOYSA-N 297.427 3.747 30 20 CHED Cc1nc(C)c(COc2c(C)cc(Cl)cc2C#N)o1 817585926 QPMQQKKVUCFGRA-UHFFFAOYSA-N 276.723 3.704 30 20 CHED C[C@@H](N=c1cc[nH]c(C#N)c1)c1cccc(Cl)c1Cl 569394403 VHRIQRLVLJSAPM-SECBINFHSA-N 292.169 3.855 30 20 CHED C=CCCCS(=O)(=O)Oc1cc(C)ccc1C(C)C 813641751 LDNHHETYNMVTFF-UHFFFAOYSA-N 282.405 3.793 30 20 CHED CC(C)Cc1ccccc1C(=O)N(C)CC(C)(C)C#N 817618095 TZYYTJJNBRINFJ-UHFFFAOYSA-N 272.392 3.507 30 20 CHED CC(=NNc1ccccc1F)c1cccc(CN(C)C)c1 814789176 ANPHKKSTMOYERD-UHFFFAOYSA-N 285.366 3.723 30 20 CHED C=CCCCCCCCCNC(=O)c1nc(C)oc1C 814324039 SVIBUBBAOXZILX-UHFFFAOYSA-N 278.396 3.938 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N(C)CC(C)(C)C#N)cc1C 817617951 MEAGZVSMIZPRJN-FPLPWBNLSA-N 284.403 3.633 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1ccsc1Cl 811665071 LAPYPZWSLHKGKV-NSHDSACASA-N 294.807 3.793 30 20 CHED C=CCC(F)(F)C(=O)N(C)C/C(C)=C\c1ccccc1 816484878 RPDDYYCCCLKKRR-QBFSEMIESA-N 279.330 3.760 30 20 CHED C=CCC1(CNC(=O)C[C@H](C)c2ccncc2)CCCC1 654081878 WUWKWCJIKHPLBX-HNNXBMFYSA-N 286.419 3.828 30 20 CHED C=CC[C@H](C)NC(=O)c1csc2cc(C)ccc12 480041586 HLZKYOJQQBUJRT-NSHDSACASA-N 259.374 3.904 30 20 CHED C=C(C)CNC(=O)N[C@@H](CC(C)C)c1ccccc1OC 488585875 URGOWIQIRKFQCC-HNNXBMFYSA-N 290.407 3.658 30 20 CHED CC[C@@H](C)NN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811648082 DRBPCSWDTBRNSD-SSDOTTSWSA-N 290.150 3.624 30 20 CHED COCC1(CCN[C@H](C)c2ccc(C#N)cc2Cl)CC1 571642049 YVEYZNWPMZEBFH-GFCCVEGCSA-N 292.810 3.679 30 20 CHED COc1cccc(NN=Cc2cc3ccccc3o2)c1 812454587 PDFRQAFYEMOCFC-UHFFFAOYSA-N 266.300 3.887 30 20 CHED O=[N+]([O-])c1ccccc1-c1ccc(C=NOCC2CC2)o1 814243017 AWXZAZFZMCTUNN-UHFFFAOYSA-N 286.287 3.615 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](c1ccccc1)C1CCC1 815416329 XGNLMXDMXHJTLN-CQSZACIVSA-N 279.330 3.855 30 20 CHED CC(=NNc1ncnc2sccc12)c1cccc(C)c1 725817965 SDOZQFGDBBYKJP-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C#Cc1cccc(NC(=O)NC2(c3ccc(F)cc3)CC2)c1 729553302 NGACLXQWLCPFPT-UHFFFAOYSA-N 294.329 3.618 30 20 CHED COc1ccc(F)cc1C=NNc1ccc(C)cc1 812223317 VLDJXNIKZQICSC-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CCc1cnc(C=NNc2cc(F)c(F)cc2F)s1 814849761 JIHIQBSMRZKSNV-UHFFFAOYSA-N 285.294 3.569 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OCC)c(OCC)c1 652078120 HIPKLHHHBOQRJJ-UHFFFAOYSA-N 292.379 3.572 30 20 CHED COc1ccc(-c2nc(C=NOC3CCC3)cs2)cc1 812235165 NRPVWZBFMQJIAY-UHFFFAOYSA-N 288.372 3.722 30 20 CHED Fc1ccc(NN=C2CCCOc3ccccc32)c(F)c1 728429838 KRWBOUHAMHSINS-UHFFFAOYSA-N 288.297 3.954 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cccc(N2CCCCCC2)c1 491746026 PVCGGFXBZQUZAB-OAHLLOKOSA-N 299.418 3.552 30 20 CHED C=CCCN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 499890073 WUDJOWTWIVEEKV-CQSZACIVSA-N 278.827 3.595 30 20 CHED C#Cc1ccc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)cn1 728810884 NNFXARONWCEWQN-UHFFFAOYSA-N 298.430 3.740 30 20 CHED C#C[C@H](NC(=O)N(C)C1CCC(C)CC1)c1ccccc1 820604308 ARTVUKJGIFRPTE-PREGVCBESA-N 284.403 3.581 30 20 CHED C=CCCCCN[C@@H](C)[C@H]1OCCc2sccc21 578293486 ZPTBEANAYJILKX-SWLSCSKDSA-N 265.422 3.696 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccccc1CCC(F)(F)F 491731718 KQJUKHIISUDBQG-ZDUSSCGKSA-N 297.320 3.713 30 20 CHED Cc1ccc(F)c(CN(C)c2ccc(C#N)c([N+](=O)[O-])c2)c1 576678423 PBTFGKYZXUOALC-UHFFFAOYSA-N 299.305 3.550 30 20 CHED C=CCN(CC=C)Cc1coc(-c2ccc(F)c(F)c2)n1 492147584 GCDIFKGLVAELRU-UHFFFAOYSA-N 290.313 3.794 30 20 CHED CCC/C(C)=C/C(=O)O[C@@H](C)c1cccc(C#N)c1 727635987 QIGFQRPVOXCUGA-SRXBQZRASA-N 257.333 3.909 30 20 CHED CC(C)(C)Oc1ccc(NCc2ccccn2)cc1C#N 824722041 MKYXFHAKFZOHDT-UHFFFAOYSA-N 281.359 3.743 30 20 CHED C=CCCNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 661565622 QWGAIJBXHKLTMR-HNNXBMFYSA-N 272.392 3.745 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cccc(NC(=O)CC)c1 820922154 VFUCAYJOKGRILE-UHFFFAOYSA-N 289.375 3.681 30 20 CHED N#Cc1nn(C[C@@H]2CCC3(CCCCC3)O2)c2ccccc12 584876408 RKSNISCOSGGUCU-AWEZNQCLSA-N 295.386 3.790 30 20 CHED C=C[C@H](CC)CC(=O)N(CC(F)(F)F)C1CCC1 903757373 CUNGRGNPVUOVTQ-SNVBAGLBSA-N 263.303 3.532 30 20 CHED CCCCCCCCC(=O)NC[C@H]1C[C@H]2CC[C@H]1N(C)C2 909769084 XIISWKCPMYQKHP-BRWVUGGUSA-N 294.483 3.584 30 20 CHED Cc1csc(Nc2ccc(NC(=O)C#CC(C)C)cc2)n1 826828104 OIWIAJWIUSDECI-UHFFFAOYSA-N 299.399 3.793 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 823683938 MQMLGDCXEHRDFE-OLZOCXBDSA-N 288.391 3.953 30 20 CHED C=CC1CCN(C(=S)Nc2cc(C)ccc2C)CC1 731942833 RQHYMHYFZNQTQT-UHFFFAOYSA-N 274.433 3.898 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)CCCCCC#N 588277954 GBNPFYPSTNBEJA-ZDUSSCGKSA-N 276.355 3.819 30 20 CHED C=CC[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C)c1ccncc1 734652867 USWJYZBSVKLRML-BPUTZDHNSA-N 287.407 3.577 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C)c(O)c(C)c1C 907463922 AVPOKTBCUWAXPF-UHFFFAOYSA-N 261.365 3.858 30 20 CHED C=C[C@H](C)ON=C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 496292575 ISOZBJSIQKRFGK-MELADBBJSA-N 296.411 3.599 30 20 CHED CC[C@@H](C)[C@H](C(=O)Nc1cccc(C#N)n1)c1ccccc1 583754251 FDRHMZKKVVLDBZ-DYVFJYSZSA-N 293.370 3.722 30 20 CHED CCCCCCO[C@@H](C)C(=O)Nc1cc(C#N)ccc1C 839603339 CSDKSBSHWYSMHW-AWEZNQCLSA-N 288.391 3.791 30 20 CHED C[C@@H](NN=Cc1ccc(SC(F)F)cc1)C(F)(F)F 834998274 SFFTUNRECCQXRU-SSDOTTSWSA-N 298.280 3.876 30 20 CHED O=C(C#CC1CC1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 837402155 MSNOGYDQANZLPN-SFHVURJKSA-N 292.382 3.635 30 20 CHED Cn1ncc(/C=C2\CCCc3ccccc3C2=O)c1Cl 834398155 BKTZGHIKGSFPPO-FMIVXFBMSA-N 286.762 3.676 30 20 CHED O=C(C#CC1CC1)N[C@@H](Cc1ccccc1)c1cccs1 837423727 JHRGGQUNNNQTEN-INIZCTEOSA-N 295.407 3.562 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCCc3occc32)C1 660316266 XPSCEIXYGRBYGC-HIFRSBDPSA-N 288.391 3.655 30 20 CHED C#C[C@H](NC(=O)N(Cc1ccc(C)s1)C(C)C)C(C)C 838596741 VUOSZSNFYMQSRH-HNNXBMFYSA-N 292.448 3.634 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCC[C@@H](F)C2)c1 582546085 ZKQOQGAFPYJAIF-HUUCEWRRSA-N 263.356 3.622 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1-c1cn[nH]c1 907330520 VAVVSCPTDNKDTB-UHFFFAOYSA-N 269.348 3.618 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c1C 734305022 FLNLVXVNBWJCQZ-CLFYSBASSA-N 297.310 3.813 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(C)c([N+](=O)[O-])c2)c1 588476151 BRBKZBKSUDVMKX-WAYWQWQTSA-N 282.299 3.503 30 20 CHED CCCCSCCC(=O)O[C@@H]1CCC[C@H](C#N)C1 839055331 QEHYDNPGZIZBCN-QWHCGFSZSA-N 269.410 3.535 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCOc2c(OC)cccc21 678588885 NRGHMCWZOYCIGS-HIFRSBDPSA-N 275.392 3.853 30 20 CHED Cc1nc2c(n1CC#Cc1ccc(Cl)cc1)CCCC2 582857547 UMWPAYNEAMPXHL-UHFFFAOYSA-N 284.790 3.775 30 20 CHED Clc1nccnc1NN=Cc1ccc2ccccc2c1 733079724 RLEISIAIVWKMEX-UHFFFAOYSA-N 282.734 3.729 30 20 CHED c1ccc([C@H]2CCCC2=NNc2ccccn2)cc1 732528263 UVCHEIAQGPEFRO-CQSZACIVSA-N 251.333 3.817 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@H](C)CC[C@@H]2C)o1 834947696 IBYAIGKYTUSXPX-MNOVXSKESA-N 274.368 3.894 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H](CC=C)c1ccccc1 839038738 LKROMSOLLZWDPC-HOCLYGCPSA-N 256.345 3.691 30 20 CHED COc1ccc(O)c(/C=N\CC(C)(C)c2cccs2)c1 733904635 ZAEPTNHLQCPKHP-YVLHZVERSA-N 289.400 3.859 30 20 CHED COCC1CCC(=NNc2nc3ccccc3s2)CC1 834913866 IGWILELGTNBSLD-UHFFFAOYSA-N 289.404 3.901 30 20 CHED C=CC(C)(C)COC(=O)C[C@H](C)c1c(C)noc1C 835724319 IRDPOZUCMYXDHX-JTQLQIEISA-N 265.353 3.540 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)[C@H](C#N)CC 593731629 FQUCNVIEAJDYAS-KGLIPLIRSA-N 252.402 3.744 30 20 CHED C=CCSCCN[C@H](C)c1ccc(C(F)F)nc1 595015315 SIHXJRKQXIGPIT-SNVBAGLBSA-N 272.364 3.589 30 20 CHED C=C(Cl)CN(C)[C@H]1C[C@H](OCC)C12CCCCC2 741808740 FCULFHBZMKLKQK-KBPBESRZSA-N 271.832 3.799 30 20 CHED Cc1ccc(-n2cc(CN(CCC#N)C(C)C)c(C)n2)cc1 594603562 SUBISDKAEPCGPO-UHFFFAOYSA-N 296.418 3.613 30 20 CHED C#C[C@@H](OC(=O)c1csc(C2CC2)n1)c1ccccc1 842389179 BJNKFXWUKFTOIE-CQSZACIVSA-N 283.352 3.552 30 20 CHED COCc1cccc(/C=C2\Cc3cc(C)ccc3C2=O)c1 742432503 BHAXMUUNENUQAB-LICLKQGHSA-N 278.351 3.964 30 20 CHED Clc1ccc(-c2ccc(C=NNc3cnccn3)o2)cc1 912961724 LZEATRDBAQVMDF-UHFFFAOYSA-N 298.733 3.836 30 20 CHED CC(=NN=C1CCC[C@H]1c1ccccc1)c1cnccn1 745201921 NOAZAKASEJSDRT-HNNXBMFYSA-N 278.359 3.609 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)c1 915987462 DWUAAPZOXPUNST-YFHOEESVSA-N 280.323 3.518 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@@H]2C[C@H]21)c1ccccc1 672131529 MNGOSKKOUPYRKT-IXDOHACOSA-N 269.388 3.747 30 20 CHED C=C[C@@H](C)ON=C1CC(c2cc(F)cc(F)c2)C1 844620273 JJJMNIXSBQGYST-BFHBGLAWSA-N 251.276 3.789 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 842342126 GMPGMVOLGVLRJK-GXTWGEPZSA-N 287.359 3.567 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1CCCc2sccc21 596194231 HEWQDRQQSDUQRT-CYBMUJFWSA-N 269.373 3.813 30 20 CHED N#Cc1ccccc1OCCSCCc1cccs1 749700226 VAMXVXIWVYRPGV-UHFFFAOYSA-N 289.425 3.974 30 20 CHED O=[N+]([O-])c1ccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 916244964 IPYWMSNDDMMEFF-RABLLNBGSA-N 285.347 3.819 30 20 CHED CC(C)c1nsc(Sc2cccc(F)c2C#N)n1 596307395 WAATVVRFMBQFFC-UHFFFAOYSA-N 279.365 3.823 30 20 CHED CCOc1ccc(NN=C(C)Cc2ccc(OC)nc2)cc1 841640467 MQNIHTHHRJGELN-UHFFFAOYSA-N 299.374 3.519 30 20 CHED CCCC[C@H](CC)CC(=O)OCC1(CC#N)CC1 744279638 WZZZJZDPJLTDGR-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED CCCN(C(=O)[C@H](C#N)CC)[C@@H](CC)c1ccccc1 593425672 NJOMGGQBPDGRNV-HOCLYGCPSA-N 272.392 3.926 30 20 CHED CCCOc1ccc(-c2cc(OC)ccc2CO)cc1C#N 596642265 PWFGOJIYNGYXGA-UHFFFAOYSA-N 297.354 3.515 30 20 CHED Cc1csc(NC(=O)N[C@@H](C)CCC2CC2)c1C#N 594106792 XGPUKZWUKCIXHR-JTQLQIEISA-N 277.393 3.628 30 20 CHED CCCCCCCCC(=O)NCC(C)(C)SC 743795236 ZRXWLQTXZDZIBY-UHFFFAOYSA-N 259.459 3.995 30 20 CHED N#CC[C@H](CC(=O)N1CC[C@@H](C2CCC2)C1)c1ccccc1 591125743 OYWLKHDPBZWOFT-QZTJIDSGSA-N 296.414 3.723 30 20 CHED C=CCCC(=O)OCc1cc(F)cc(Br)c1 748803035 HJXCBNVJJYWKCM-UHFFFAOYSA-N 287.128 3.598 30 20 CHED N#CCCCCN1CC[C@H]1c1ccc(Br)cc1 595845846 SFUKGNWCDHUGAL-AWEZNQCLSA-N 293.208 3.890 30 20 CHED FC(F)CNN=Cc1ccccc1-c1ccccc1 740616147 JGBFDOIYQFCCPJ-UHFFFAOYSA-N 260.287 3.542 30 20 CHED C=C(C)[C@@H](NC(=O)NC1CC=CC1)c1ccc(F)c(F)c1 681321004 YTELLMAGFGHXNL-OAHLLOKOSA-N 292.329 3.600 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)c1ccc2ccccc2c1 845349372 HZRGAGYOIUTWAA-ZDUSSCGKSA-N 266.344 3.742 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 684929394 YIMYYAWYYYQBRC-WOPDTQHZSA-N 292.345 3.714 30 20 CHED N#CCCSc1ccc(C(F)(F)F)c(Cl)n1 840354274 VDJQSBRBUXRHET-UHFFFAOYSA-N 266.675 3.760 30 20 CHED C=CCN(Cc1oc(C)nc1C)CC1CCCCC1 685564136 NFLYRTOTOCWFSU-UHFFFAOYSA-N 262.397 3.860 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1cn(C)c2ccccc12 926704119 XEBVVRUXDHNLCE-CQSZACIVSA-N 283.419 3.639 30 20 CHED CCOc1cccc(/C=N\Cc2ccccc2C)c1O 920945019 MKTXDFNRRSMGLT-PDGQHHTCSA-N 269.344 3.718 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc2ncccc2c1 926039976 XDSQZHNPJMPVTG-GFCCVEGCSA-N 253.349 3.975 30 20 CHED CC(C)Oc1ccc(NCC2(CC#N)CC2)c(F)c1 849313701 KCXWIAKIHZIPEL-UHFFFAOYSA-N 262.328 3.719 30 20 CHED COc1ccc(CC[C@@H](C)N[C@H](C)CC(C)(C)C#N)cc1 924855811 SXCQWGUKNKRMFV-HUUCEWRRSA-N 288.435 3.934 30 20 CHED CCCOc1ccc(C=NN[C@@H](C)c2ccncc2)c(C)c1 853360169 XBEALPYUFZCKEW-HNNXBMFYSA-N 297.402 3.864 30 20 CHED C[C@H]1CC[C@@H](CC(=O)OCc2cc(F)ccc2C#N)C1 759412419 BDJZWNODYXSKJT-NWDGAFQWSA-N 275.323 3.567 30 20 CHED C#C[C@H](OC(=O)C1CC2(CC2)C1)c1ccc(Cl)cc1F 851010249 LEDCGDGGTJAKCH-AWEZNQCLSA-N 292.737 3.887 30 20 CHED CC(C)CON=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] 753713677 KJWUJCNPPJCGRU-CYBMUJFWSA-N 290.363 3.966 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(Br)s2)no1 752877656 NVALMPAPSCMGDN-DUXPYHPUSA-N 298.161 3.703 30 20 CHED c1ccc([C@H]2CCCC2=NO[C@H]2CCCCO2)cc1 755817593 MXYVZIBJTFFGBF-ZBFHGGJFSA-N 259.349 3.853 30 20 CHED N#C[C@H](C(=O)/C=C/c1cccnc1)c1ccc2ccccc2n1 759188151 RTFBCHKTSJWGKZ-JCVNQNCUSA-N 299.333 3.519 30 20 CHED Cc1ccnc(NN=C2CCc3cc(Cl)ccc32)c1 755900540 LFBGIOTTWUDHFF-UHFFFAOYSA-N 271.751 3.806 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2c(C)nn(C)c2C)c(C)c1 920832728 UGSUKEGQSPXKPJ-FPLPWBNLSA-N 282.387 3.858 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1OC 757476543 WYXTXHMLRRKQJQ-CSKARUKUSA-N 298.338 3.696 30 20 CHED CCC(CC)NN=C/C=C\c1ccc(F)cc1F 758124224 SKWBUJAVVCVTOU-ADLNQRAGSA-N 252.308 3.742 30 20 CHED N#CC1(CC(=O)N[C@@H](c2ccccn2)C2CC2)CCCCC1 928614923 QMEONQPVYBWDGB-QGZVFWFLSA-N 297.402 3.513 30 20 CHED C#CCOCCSc1nc(C)c(C)n1C1CCCCC1 853015734 WAXCSWFLJXBLFH-UHFFFAOYSA-N 292.448 3.747 30 20 CHED Fc1cc(F)cc(C=NNc2cc(F)c(F)cc2F)c1 755730744 NBDUDEASDRAKJF-UHFFFAOYSA-N 286.203 3.828 30 20 CHED CCN(C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](C)C#N 856074874 DRGUQGVBNQIYLF-WDEREUQCSA-N 298.308 3.569 30 20 CHED CCCCCCCC(=O)OCc1c(CC)noc1C 757992448 SJYKYFYENCJOAI-UHFFFAOYSA-N 267.369 3.949 30 20 CHED CC(C)CCOC(=O)Oc1ccc(C#N)cc1Cl 858884450 SMHJFLQEDKFPDD-UHFFFAOYSA-N 267.712 3.773 30 20 CHED CCSc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cn1 851209963 LZRJJVLVULIWMA-NSHDSACASA-N 292.404 3.679 30 20 CHED C=C[C@H](OC(=O)c1cnc2n1[C@@H](C)CCC2)c1ccccc1 851452581 UXLJFMWXUOPCPQ-BBRMVZONSA-N 296.370 3.865 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(F)cc2N(C)C)c1 759610948 MZWWLCANRTVZCA-YFHOEESVSA-N 299.345 3.796 30 20 CHED C#CCCOC(=O)N[C@H](C)c1oc2ccccc2c1C 859131713 PTDNIFTYPXJOJH-GFCCVEGCSA-N 271.316 3.552 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1nccn1-c1ccccc1 935991439 GRFSMQLHLJCCMU-GJZGRUSLSA-N 297.402 3.652 30 20 CHED CC1(C)CC(CN=c2cc[nH]cc2C#N)CC(C)(C)C1 699455799 LWGSJXUYKULFAX-UHFFFAOYSA-N 271.408 3.640 30 20 CHED CC(C)c1cccc(C(=O)OCc2ccc(F)c(C#N)c2)n1 762044857 IYHGZQLBNPJARJ-UHFFFAOYSA-N 298.317 3.573 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 869599354 OPKLYQJCXALQBD-MNOVXSKESA-N 291.313 3.838 30 20 CHED FC(F)(F)c1ccc(C=NNC2CCCC2)s1 761807122 GAHZQMLUXMBLPS-UHFFFAOYSA-N 262.300 3.633 30 20 CHED CCOc1ccc2ccccc2c1C(=O)NCCCCC#N 931967945 ADBSSOUFBAMUSI-UHFFFAOYSA-N 296.370 3.662 30 20 CHED CCc1cccc(C)c1NN=Cc1cnc(C2CC2)o1 863111153 OYWJNBIBCKMPKZ-UHFFFAOYSA-N 269.348 3.869 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)NCC1CCC(C#N)CC1 935817702 CHTPXHOARSFJJI-QQFBHYJXSA-N 284.403 3.545 30 20 CHED C#CCCN(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 760852447 HUVNVQCCDQGYOM-FQEVSTJZSA-N 293.410 3.554 30 20 CHED C=C(C)CN(CC)Cc1cc2cccc(OC)c2o1 768140642 QUXIMDFECREMEU-UHFFFAOYSA-N 259.349 3.839 30 20 CHED CCC/C(C)=C\C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767970935 LYHHJYFQXWFLTJ-SQFISAMPSA-N 294.398 3.920 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cccc(C(C)C)c1 863107098 CNHFRQXEYCQNPQ-AWEZNQCLSA-N 261.365 3.587 30 20 CHED Cc1ccc2sc(CSCCO[C@@H](C)C#N)nc2c1 863397620 RPPJHZMYDLUNOG-NSHDSACASA-N 292.429 3.767 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccc(C(=O)O)cc2)C1 768352558 OQIAPVPFVXIKJI-NEPJUHHUSA-N 260.337 3.609 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CCc1cccc2ccccc12 865078280 UBAPHHSWGTXLTN-LJQANCHMSA-N 294.398 3.827 30 20 CHED CCCCCCCNC(=O)C[C@@H](C)c1ccco1 862354538 ASDRTCKETLYBHN-CYBMUJFWSA-N 251.370 3.860 30 20 CHED CC(=NN=c1cc[nH]cc1)c1ccc(OC(C)(C)C)cc1 764907104 CVFQUEQRJWTNSA-UHFFFAOYSA-N 283.375 3.517 30 20 CHED c1ccc(NN=C2CCCOc3cc4c(cc32)CCC4)nc1 768477721 XRMLPNWOQJFCGW-UHFFFAOYSA-N 293.370 3.559 30 20 CHED C#CCCOC(=O)c1ccc(OC)c(-c2ccccc2)c1 1116939311 JJJZATZZULVUBI-UHFFFAOYSA-N 280.323 3.542 30 20 CHED C=CCc1ccc(OC(=O)c2cccs2)c(OC)c1 875121604 BLLXLFQDASUBQN-UHFFFAOYSA-N 274.341 3.704 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(Cn2cccc2)cc1 1116836377 YTHROPSYMSTRLU-SFHVURJKSA-N 294.398 3.717 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](C)c1ccccc1F 779807961 UBBSMNXLIAVLQB-AWEZNQCLSA-N 275.367 3.929 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1cncn1C(C)C)C2=O 1119598168 WQNBRNXINBOSER-AUWJEWJLSA-N 296.370 3.740 30 20 CHED COc1cc(/C=C/C(=O)c2cccs2)ccc1F 1116377747 NDBJDTPNJBUSTI-FNORWQNLSA-N 262.305 3.792 30 20 CHED Cc1ccc(COC(=O)/C=C\c2ccccc2C#N)cc1 775064277 PREGPJSOEUTFBC-KHPPLWFESA-N 277.323 3.623 30 20 CHED CC(C)c1ccc(C(=O)OCc2ccc(F)cc2C#N)cn1 772403295 BHWPVMQICQIPPI-UHFFFAOYSA-N 298.317 3.573 30 20 CHED Cc1ccsc1/C=C1\Oc2cc(F)ccc2C1=O 773174795 XULGPKYHKUCTGU-GHXNOFRVSA-N 260.289 3.812 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1c(CC)ccc(Cl)c1CC 770058334 HDEJNUUPLQTZIW-NSHDSACASA-N 292.810 3.950 30 20 CHED CCCCCCCNC(=O)N(C)Cc1ccc(O)cc1 875765287 KHKNLAKMIGICBY-UHFFFAOYSA-N 278.396 3.504 30 20 CHED C#CCOc1ccccc1NC(=O)NC(C(C)C)C(C)C 776090345 WKIPPKUUIMTWEG-UHFFFAOYSA-N 288.391 3.501 30 20 CHED C[C@H](CCC#N)CNc1ccc(OCC(F)F)cc1 876829644 MZLSXOGXIWHZKF-LLVKDONJSA-N 268.307 3.682 30 20 CHED CC(C)Cn1ccc2c(C(=O)OCCCC#N)cccc21 773717157 QSNCNNPCOGIJFZ-UHFFFAOYSA-N 284.359 3.758 30 20 CHED C=C(C)CCOC(=O)[C@H]1CCCc2sccc21 771615427 FRXVBMZPRGISBX-LBPRGKRZSA-N 250.363 3.677 30 20 CHED C#CCCCCCC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 779961896 BCNLFRRMPOWCTD-LBPRGKRZSA-N 277.330 3.663 30 20 CHED C=C(C)[C@H](NC(=S)NCCCC)c1ccc(F)c(F)c1 774203402 BRYCUOHVQKUIEF-AWEZNQCLSA-N 298.402 3.846 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2cc(C#N)cs2)CCC[C@H]1C 779270938 SIPWWHSZVYMCQE-SCVCMEIPSA-N 263.362 3.601 30 20 CHED CC(=NN=c1cc[nH]cc1)c1ccc(-c2ccccc2)o1 779811789 JGLIYYLVCJCAFD-UHFFFAOYSA-N 277.327 3.600 30 20 CHED COc1cccc(NN=Cc2cc(F)cc(Cl)c2)c1 776724708 RABHJOZHCFEPLF-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CCCCCC[C@H](C)CC(=O)OCC1(C#N)CC1 775854796 GFKRLEFBALRPCZ-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED C#CCCCCCC(=O)N[C@@H](CC)c1nc(C)cs1 779905031 POYVNHDDPCEZAL-ZDUSSCGKSA-N 278.421 3.603 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@H]1CCCC[C@@H]1C 775940717 SPWZCFSUCLVBKN-LSDHHAIUSA-N 285.387 3.854 30 20 CHED C[C@@H](CC(=O)OCCC(C)(C)C#N)c1ccc(F)cc1F 776395349 IWVPHKJDTDMLDF-NSHDSACASA-N 295.329 3.941 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H]1CCc2cccnc21 886626760 KFUWQEQKYHEWQM-ROUUACIJSA-N 278.399 3.846 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc2[nH]c(CC)cc(=O)c2c1 1123778770 DCEFIUPGFIHHDP-UHFFFAOYSA-N 298.386 3.631 30 20 CHED C[C@H]1CCC[C@@H]1Nc1c(Br)cccc1C#N 1559100244 JKUSCHQNCBFSTO-CABZTGNLSA-N 279.181 3.921 30 20 CHED C=C[C@@H](C(=O)N1CCCc2occc2C1)c1ccccc1 1123880381 ORLPPRQYVJMLKY-MRXNPFEDSA-N 281.355 3.524 30 20 CHED CC1(C)CC[C@H](C(=O)OCc2ccc(F)c(C#N)c2)C1 781703714 HVCPJWKASAEERE-LBPRGKRZSA-N 275.323 3.567 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NOCC(F)F)C1 780241732 URGUGOSYBYGBMB-CQSZACIVSA-N 253.292 3.766 30 20 CHED CC[C@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C 1559770080 YBWKNCKESOAETQ-YPMHNXCESA-N 262.784 3.832 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCC(C)(C)C1 781684843 QHLCKMBTQXXOOP-GFCCVEGCSA-N 289.350 3.603 30 20 CHED Brc1cc(C=NNC2CCCCC2)cs1 786042930 DCAXFLPJGBRLBP-UHFFFAOYSA-N 287.226 3.767 30 20 CHED CCSc1cccc(/C=C/C(=O)c2cc(C)nn2C)c1 789155528 BCZSFSHIIYFEQW-CMDGGOBGSA-N 286.400 3.737 30 20 CHED C=C1CCN(Cc2ccc(Cl)nc2C(F)(F)F)CC1 787246904 WBXAARSRMFETQW-UHFFFAOYSA-N 290.716 3.906 30 20 CHED C#CC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccccc1 894361644 LKPMYBXMAGZHRD-QGZVFWFLSA-N 295.382 3.563 30 20 CHED C=C[C@@](C)(CC)c1nc(CCOCc2ccccc2)no1 896523348 HIBPDKBLILGRJJ-KRWDZBQOSA-N 286.375 3.683 30 20 CHED C[C@@H]1C[C@H](CC(=O)N(CC#N)c2ccccn2)CC(C)(C)C1 892465221 STKDYIRGJKROHX-HUUCEWRRSA-N 299.418 3.791 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NNc1ccnc(F)c1 782227271 JCZQYNYXGJMWQK-UHFFFAOYSA-N 297.337 3.518 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(-c3ccon3)cc2)C1 897364119 SLYJVEQKGINPRK-SWLSCSKDSA-N 267.332 3.836 30 20 CHED Cc1cccnc1NN=Cc1sccc1Cl 782284284 AFJDYPADOKZZBC-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C=C1CCC(c2nc(-c3nccc4[nH]ccc34)no2)CC1 896286333 ZEZIMTYGVOPSIO-UHFFFAOYSA-N 280.331 3.827 30 20 CHED Cc1cc(C=NNc2ccccc2C(F)(F)F)sn1 785450391 DXOSMRGEWKHBJO-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CCSCCC=NNc1ccc(C(F)(F)F)cn1 781116770 ILRSDICRBXARHM-UHFFFAOYSA-N 277.315 3.641 30 20 CHED Cc1cc(C(=O)OCc2ccc(C#N)cc2Cl)c(C)o1 784180419 DHUHWRYSOXNJLJ-UHFFFAOYSA-N 289.718 3.779 30 20 CHED c1cc(NN=C2CCC23CCC3)c2ccncc2c1 799878925 JUYNIRBZMIPBQT-UHFFFAOYSA-N 251.333 3.967 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)C(=O)N1CCCC[C@@H]1C 793523889 GUZMPMHABWTLMD-YESZJQIVSA-N 294.483 3.891 30 20 CHED COCCCON=C1CCCC[C@H]1c1ccccc1 795055693 OIRVHHNUKNUTKT-HNNXBMFYSA-N 261.365 3.753 30 20 CHED CCCCCCCCOc1ccccc1S(C)(=O)=O 795250965 KGYZXUOJUVLECR-UHFFFAOYSA-N 284.421 3.829 30 20 CHED COC(=O)[C@H](C)c1cccc(N[C@@H](C)CC(C)(C)C#N)c1 894903056 PHPZMHUVQGYLAR-QWHCGFSZSA-N 288.391 3.703 30 20 CHED C=CCOCCOC(=O)c1ccc(-c2ccc(C)o2)s1 797288097 YKKDXNFZFMCGQK-UHFFFAOYSA-N 292.356 3.676 30 20 CHED CC(C)n1nccc1C=NNc1ccccc1Cl 794453704 VBCOJMXFJVAJSK-UHFFFAOYSA-N 262.744 3.563 30 20 CHED CC[C@@H](C)CON=C(C)c1cc(OC)c(OC)cc1F 793146990 XDVAWKMDIDRYDL-SNVBAGLBSA-N 283.343 3.630 30 20 CHED COCCON=C/C(C)=C/c1ccccc1C(F)(F)F 799881167 IQKRUJTTWDQTNF-VYRZMWHGSA-N 287.281 3.758 30 20 CHED C/C(=C\C(=O)N(C1CC1)C1(C#N)CCC1)c1ccc(F)cc1 791003443 RWPVTYWUZCDBAQ-ACCUITESSA-N 298.361 3.666 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1OCC(C)C 790844364 QACGIDDTWNKUTC-UHFFFAOYSA-N 273.376 3.536 30 20 CHED CC(C)n1nccc1C=NNc1cccc(Cl)c1 794456506 XEGYOYZWCBGYBQ-UHFFFAOYSA-N 262.744 3.563 30 20 CHED Cc1csc(NC(=O)NC[C@H]2CCCC[C@H]2C)c1C#N 1204889501 RDYUMQPCFGPONO-ZYHUDNBSSA-N 291.420 3.876 30 20 CHED Fc1cccnc1NN=C1CC[C@@H]2CCCC[C@H]2C1 794994039 RGNVWNNJNBNZRL-RYUDHWBXSA-N 261.344 3.979 30 20 CHED CCSc1ccccc1C(C)=NOCCCOC 795049177 ZPZBLRMDEWYAPY-UHFFFAOYSA-N 267.394 3.576 30 20 CHED CC(=NNc1cccc(Br)c1)c1cnoc1C 799474769 NUZDIKDKNGAQRV-UHFFFAOYSA-N 294.152 3.582 30 20 CHED C#CCCCC(=O)NCC(C)(C)c1ccc(C)cc1C 794878921 KEXRSHQXUQIQEZ-UHFFFAOYSA-N 271.404 3.501 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc2ccccc2n1 794547189 FRMPPQZMJXFXNK-UHFFFAOYSA-N 281.281 3.501 30 20 CHED CCc1ccc(CCC=NNc2ncccc2C)cc1 790190761 LSTJUZIFOCKGRB-UHFFFAOYSA-N 267.376 3.983 30 20 CHED N#CCCCCOC(=O)c1ccc(F)c2ccccc12 796365551 GFKRGYYYNDXRCH-UHFFFAOYSA-N 271.291 3.830 30 20 CHED CCc1cc(NC(=O)c2ccccc2CC#N)ccc1F 1157300450 UCZVPHFSVPPEBN-UHFFFAOYSA-N 282.318 3.706 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 1158091151 OZZTYXOFGIYMCF-SNVBAGLBSA-N 286.281 3.730 30 20 CHED CCC1(CC)[C@H](Nc2cccc(C#N)c2)C[C@H]1OC 1308658045 YHDFHULACPBZOY-HUUCEWRRSA-N 258.365 3.564 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1nc(C#N)c(Cl)s1 1306981076 CDXYGKMPHLBQFT-BXUZGUMPSA-N 289.791 3.810 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1cccc(C#N)c1 75912375 MVWNWMHCRYDRSB-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC(C)CN(Cc1ccc(OCC#N)cc1)CC(C)C 77253162 WJMLIDMJLAYAKK-UHFFFAOYSA-N 274.408 3.703 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)c2cccc(F)c2)c1 1319640351 JLYQDJHYDSFTAE-CMDGGOBGSA-N 284.286 3.508 30 20 CHED Cc1cc(N(CCc2ccccc2)CC(C)C)ncc1C#N 1162886237 GKXFVNAWYLIFKR-UHFFFAOYSA-N 293.414 3.967 30 20 CHED CC(=NOC(C)(C)C)c1cc(Br)ccc1O 1319579630 WLWMDCLSSZSSIT-UHFFFAOYSA-N 286.169 3.694 30 20 CHED C[C@H]1CCCC[C@H]1OCCN1CCc2ccc(C#N)cc21 1168924233 ACTBKBRKAARLPP-KBXCAEBGSA-N 284.403 3.516 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc2c(c1)CCC2 1319471836 KMJCKTGUKCVNNH-SOFGYWHQSA-N 252.313 3.973 30 20 CHED C#Cc1cccc(N(C)Cc2ncc(C(C)(C)C)o2)c1 103146339 NYDKEICUEGXLNB-UHFFFAOYSA-N 268.360 3.590 30 20 CHED CN(c1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 511650247 QXILLSCCVBZFKS-SFHVURJKSA-N 262.356 3.552 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C 702274201 DMLXQKQPWFGJTM-GFCCVEGCSA-N 264.756 3.509 30 20 CHED C=C(CC)CNC(=O)N[C@@H](CC)c1ccc(F)cc1 1326769856 VPJMMERZWVDOQW-AWEZNQCLSA-N 264.344 3.542 30 20 CHED CCc1nnc(SCCC(F)(F)F)c(C#N)c1CC 280303448 RPDHYCCCTOFEAJ-UHFFFAOYSA-N 289.326 3.518 30 20 CHED N#Cc1ccccc1/C=C\c1nnc(-c2ccccc2F)o1 1324004058 GZMVNCPBUGQWQA-KTKRTIGZSA-N 291.285 3.918 30 20 CHED CC(C)(C#N)CNc1ccnc(-c2cccc(Cl)c2)n1 1186070309 PCPBSTRXNHPHFQ-UHFFFAOYSA-N 286.766 3.759 30 20 CHED Cc1cnc(Nc2c(C#N)cnc3c(Cl)cccc23)[nH]1 1185736124 PUAGQOSRKLJHBC-UHFFFAOYSA-N 283.722 3.535 30 20 CHED C[C@H]1CCCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 78832665 XNONRUOUCOACKB-GXSJLCMTSA-N 283.297 3.963 30 20 CHED N#Cc1ccsc1NC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1333713585 SYLSSXCIFLIXOT-DGCLKSJQSA-N 289.404 3.664 30 20 CHED C[C@@H](NCc1cnc(Cl)s1)c1cccc(C#N)c1 718211765 MNOIGRASEDUJDB-SECBINFHSA-N 277.780 3.519 30 20 CHED C[C@@H]1CCC[C@H](Nc2ccc(OCC#N)cc2)[C@@H]1C 85085956 HPSVKVHQMKUYPF-IOASZLSFSA-N 258.365 3.826 30 20 CHED COCc1cccc(CNc2cc(C#N)ccc2C)c1 88553668 FZKWDVYVJBVDTO-UHFFFAOYSA-N 266.344 3.625 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N(C)[C@H](C)CC#N 1337671274 YZMLUJRCMVAHOU-SNVBAGLBSA-N 296.823 3.826 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1-c1ncco1 1262102053 XOPSSYZJOAGNLK-UHFFFAOYSA-N 270.332 3.882 30 20 CHED N#CCOc1cccc(CN[C@H]2CCc3c(F)cccc32)c1 1341682262 ATKXINVFXIGOQP-SFHVURJKSA-N 296.345 3.505 30 20 CHED C=CC1CCN(c2nnc([C@H]3CC=CCC3)n2CC)CC1 1340127318 MBPPWQLFJCRKNK-HNNXBMFYSA-N 286.423 3.524 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)[C@@H](C#N)c1cccc(F)n1 1344007207 OKUJGEBWRLBMMB-AGIUHOORSA-N 274.339 3.613 30 20 CHED C[C@@H](CC1CCCC1)C(=O)O[C@H](CC#N)c1ccco1 1350311375 JZIIJPJNXOGNLT-SWLSCSKDSA-N 275.348 3.994 30 20 CHED C=C(C)Cn1c([C@H](CC)OCC)nnc1N(CC)C(C)C 1356426112 ZWMAFDZTYCMRPK-AWEZNQCLSA-N 294.443 3.577 30 20 CHED C[C@@H](CCNC(=O)c1ccc(F)c(C#N)c1)CC(C)(C)C 1516246079 AVAAKFDSXPZQSX-LBPRGKRZSA-N 290.382 3.890 30 20 CHED C=CC1(CC(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)CCCCC1 1455920292 PDEGROUGFADWOW-APIJFGDWSA-N 261.409 3.674 30 20 CHED Cc1nc(C(=O)Nc2cc3ccccc3cc2C#N)c(C)o1 1525266955 ZAMLWMPFNYBOMA-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C=CCCC(C)(C)CNC(=O)Nc1ccc(C(=O)O)s1 1602856157 WWPQTCUWDVOTAY-UHFFFAOYSA-N 296.392 3.560 30 20 CHED CC(C)[C@H]1CCCCN1CCc1ccc(C#N)cc1 1473166444 WRCXKAKXOVWLLN-QGZVFWFLSA-N 256.393 3.611 30 20 CHED CCSCc1ccc(NC(=O)c2ccc(C#N)o2)cc1 1543593888 IVWQKDRGVVDPSD-UHFFFAOYSA-N 286.356 3.657 30 20 CHED CCN(Cc1ccccc1C)c1ccc(Cl)c(C#N)n1 1472726056 ULCKUIRFJCOMBY-UHFFFAOYSA-N 285.778 3.942 30 20 CHED Cc1nc2cc(Nc3ncc(C#N)cc3F)ccc2s1 1472884953 HHBLIBOEYZOQRV-UHFFFAOYSA-N 284.319 3.754 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(Cc2cc(C#N)ccn2)C1 1473573989 KVOOTTKJBLFXGZ-SFHVURJKSA-N 291.398 3.926 30 20 CHED COc1ccccc1N(C)CCC1(C#N)CCCCC1 1559980834 WTBHZIULCWSVBZ-UHFFFAOYSA-N 272.392 3.996 30 20 CHED CCc1cc2c(NCC3(C#N)CCC3)nc(C)nc2s1 1642815313 YINDFCTVRJLXES-UHFFFAOYSA-N 286.404 3.668 30 20 CHED Cc1nc(N2CC3(CCCC3)[C@H]2C(C)C)ccc1C#N 1642790002 UNIRRISWXNQRPI-MRXNPFEDSA-N 269.392 3.667 30 20 CHED Cc1ccc([C@@H](C)CNc2ncc(C#N)cc2F)cc1 1642288455 BXCDBIIODBRROE-LBPRGKRZSA-N 269.323 3.616 30 20 CHED C[C@@H](Sc1ncncc1C#N)c1ccc(Cl)cc1 1655054951 JGCFITZHQVBDMG-SECBINFHSA-N 275.764 3.855 30 20 CHED C[C@@H]1CCCC[C@@H]1[C@@H](C)NCCc1ccc(C#N)cc1 1658537990 QVEADKSGAMJSFV-RKVPGOIHSA-N 270.420 3.905 30 20 CHED C=CC[C@@H]1CC[C@H](Nc2cc(COC)cc(C(=O)O)c2)C1 1588770553 ASIXOPSQMHHLLD-DOMZBBRYSA-N 289.375 3.688 30 20 CHED N#Cc1cccc(CN2CCc3c(Cl)cccc32)c1 1652808167 ROLUKNMMPVGERK-UHFFFAOYSA-N 268.747 3.774 30 20 CHED CC1(C)CCC(C)(C)N(Cc2ccc(OCC#N)cc2)C1 1655120954 DSNHJFUOFVXDII-UHFFFAOYSA-N 286.419 3.990 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1(CC#N)CC1 1660269333 DRVGVOISLGQQOT-RDJZCZTQSA-N 268.404 3.948 30 20 CHED Cc1cccc(N(C)C(=O)Nc2cc(C#N)ccc2F)c1 1672625431 SGOBJBVLPXSJPT-UHFFFAOYSA-N 283.306 3.674 30 20 CHED CC(=NOC1CCCCC1)c1cc(C(=O)O)ccc1C 1776056338 CODUHNMZTGFTAO-UHFFFAOYSA-N 275.348 3.767 30 20 CHED C=CCCCN(CC)[C@@H](C(=O)O)c1ccc(F)c(Cl)c1 1776174080 PKRUBCZCONNTGI-CQSZACIVSA-N 299.773 3.893 30 20 CHED C=C[C@@H](C)ON=Cc1c(F)ccc2sc(C(=O)O)cc12 1776090638 RYEVFBYYPHYPCJ-MRVPVSSYSA-N 293.319 3.664 30 20 CHED CC[C@H](Nc1ccc(C#N)cc1)c1c(C)noc1C 161662474 GKOAPUNWNYLNLD-AWEZNQCLSA-N 255.321 3.726 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(CC(F)(F)F)c1 156134943 RNRNKXSPYYGDTH-NSHDSACASA-N 299.296 3.605 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 156360930 USQGRCJJWJDXDM-CQSZACIVSA-N 295.386 3.685 30 20 CHED CC[C@@H](C#N)NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 157988649 GIIRIWZZVQGELB-CJNGLKHVSA-N 272.392 3.722 30 20 CHED C[C@H](C#N)Oc1ccc(-c2nc3cccc(F)c3[nH]2)cc1 154754054 ZYFGWZJMBOAELC-SNVBAGLBSA-N 281.290 3.660 30 20 CHED C=CCN(Cc1ccc(F)c2cccnc12)C(C)C 917069781 VNGMXASNRBJHCD-UHFFFAOYSA-N 258.340 3.770 30 20 CHED CCCCCCCCCC(=O)N1CCCC[C@H]1C(=O)O 106537858 DEXLCTWBOFQJAZ-AWEZNQCLSA-N 283.412 3.593 30 20 CHED CCSc1ccc(-c2noc(CCCC#N)n2)cc1 233861741 CUJUZVPSAHNFCW-UHFFFAOYSA-N 273.361 3.695 30 20 CHED Cc1csc(C(=O)N(C)c2ccc(C#N)cc2)c1Cl 234266874 MTNDTXSRTBQGBX-UHFFFAOYSA-N 290.775 3.858 30 20 CHED COc1cc(CN(C)c2ccc(C)cc2)ccc1C#N 234939297 RVZPLADITZIWQG-UHFFFAOYSA-N 266.344 3.512 30 20 CHED COc1cccc(Cl)c1CNc1nccc(C)c1C#N 234962208 WZTUVCBWNDIEEY-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C[C@@H](NCCSC(C)(C)C)c1cccc(C#N)c1 271818890 BYFTWKBJDSASLR-GFCCVEGCSA-N 262.422 3.741 30 20 CHED N#Cc1nccnc1Oc1ccc(Cl)c2ccccc12 54380175 GRYYRWMNNLCBRE-UHFFFAOYSA-N 281.702 3.947 30 20 CHED C[C@H](CCC1CC1)Nc1snc(Cl)c1C#N 302230831 XDCTTZYOJTYRFG-SSDOTTSWSA-N 255.774 3.659 30 20 CHED C[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CC[C@H]1C 404147675 KJXDMWOPMYQIRQ-TYNCELHUSA-N 260.356 3.612 30 20 CHED N#Cc1ccc(CNCc2c(Cl)cccc2Cl)o1 539466655 OJEMSMITQISQHV-UHFFFAOYSA-N 281.142 3.748 30 20 CHED N#CCC1CCN(Cc2ccsc2Cl)CC1 335291565 FYANEOKIZFTAMN-UHFFFAOYSA-N 254.786 3.527 30 20 CHED Cc1cc(F)cc(NCc2ccc(C#N)cc2F)c1 91513283 NDECCTRJIKZGER-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#CC1(CN(Cc2ccccc2)Cc2ccccc2)CC1 343263035 XCNCDLMNEKKPOT-UHFFFAOYSA-N 276.383 3.993 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 481032347 DMYJUUFTYRBCHX-GFCCVEGCSA-N 277.799 3.869 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc3[nH]ccc3c2)c1 107567938 JKCLOTQWXDQTSC-UHFFFAOYSA-N 292.338 3.985 30 20 CHED C=CCSCCOc1ccc(Br)cc1 308518776 GSPSWJSUFCUHJB-UHFFFAOYSA-N 273.195 3.747 30 20 CHED C=CCCCC(=O)N1CCCSc2ccccc21 177516281 PVBWVZDYGBQKNT-UHFFFAOYSA-N 261.390 3.872 30 20 CHED N#Cc1cc(Cl)cc(OCC(=O)c2cccs2)c1 311154153 NYCBSAQFYGFTKD-UHFFFAOYSA-N 277.732 3.535 30 20 CHED C#CCCCCC(=O)Nc1ccc(-c2ccccc2)cn1 119667109 IWBBNTNGTKLZJN-UHFFFAOYSA-N 278.355 3.881 30 20 CHED CCCCCCCC(=O)NCCc1nc2ccccc2[nH]1 59254766 UXQSIEAWCVQKDL-UHFFFAOYSA-N 287.407 3.582 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 111432803 PMBHZPWIBMRBAQ-HNNXBMFYSA-N 286.419 3.615 30 20 CHED CCN(CC)CCS[C@H](C#N)C1CCCCC1 176943287 JTIQRWNPDDENPH-CQSZACIVSA-N 254.443 3.534 30 20 CHED Cc1ccc(C(C)(C)CNc2cccc(C#N)n2)cc1 301276541 MADLPFMEWJRPGH-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=CC1CCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 111258773 ICZCTIZGTAJWSY-LLVKDONJSA-N 289.404 3.757 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)C1CC1 178391102 GMISEHGWDGMYNB-SNVBAGLBSA-N 283.824 3.962 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccn(C(C)C)n1 172012951 SKLQBIXYFYNKPP-UHFFFAOYSA-N 283.419 3.695 30 20 CHED Cc1ccc(Oc2ccccc2C/N=C(\N)NC(C)C)cc1 304742628 CTNATWWJQXGDPR-UHFFFAOYSA-N 297.402 3.600 30 20 CHED C=CCCCC(=O)NCC1(OCCC)CCCCC1 177396604 JKIKYWIEBHOKER-UHFFFAOYSA-N 267.413 3.588 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 116971817 TUWCMEUKEWKKGE-CZUORRHYSA-N 290.407 3.656 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCCCCCCO)c2c1 302038644 VROXMHUTBYFNFK-UHFFFAOYSA-N 297.402 3.688 30 20 CHED CCOc1ccc(C#N)cc1NCc1cnc(Cl)s1 179279012 JJBCVGIINASPKE-UHFFFAOYSA-N 293.779 3.679 30 20 CHED Cc1nnc(Oc2cccc3c2CCCC3)c(C#N)c1C 301469514 HYYRXFCLEPMCLL-UHFFFAOYSA-N 279.343 3.636 30 20 CHED C[C@H]1CCN(c2c(Cl)cccc2C#N)CCS1 302731552 MLLDOOGWKCUMTC-JTQLQIEISA-N 266.797 3.543 30 20 CHED C[C@H](Cc1cccs1)Nc1ccc(Cl)c(C#N)n1 67350066 NYXCCOCKTMQDAX-SECBINFHSA-N 277.780 3.711 30 20 CHED COc1cccc(Sc2c(C#N)cccc2C#N)c1 302818033 CFNQLKBWHADVNR-UHFFFAOYSA-N 266.325 3.590 30 20 CHED COc1cc(CNc2cccc(C#N)c2)c2c(c1)C[C@H](C)O2 179550850 LNNVVRDBMQTOBY-LBPRGKRZSA-N 294.354 3.502 30 20 CHED Cc1ccc(OCCCNc2ccc(C#N)cc2)cc1 301159205 SPVQHHBDJAEVLB-UHFFFAOYSA-N 266.344 3.748 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)Cc1ccc(C)s1 188437333 BVGMUXBLYZTKAU-XHDPSFHLSA-N 265.422 3.706 30 20 CHED C[C@@H](NC(=O)CC#N)c1ccc(Cl)c2ccccc12 187505276 NGJSXRJFCVTEFK-SNVBAGLBSA-N 272.735 3.584 30 20 CHED Cc1ccccc1S[C@@H](C)C(=O)Nc1ccccc1C#N 37665743 PQXZGRVSCLOFBH-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED CC[C@@H](C)CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 189983264 QEIRBNNFHHWDKR-ZIAGYGMSSA-N 272.392 3.904 30 20 CHED C=CCC[C@@H](C(=O)NCC(C)(C)OCC)c1ccccc1 189672488 VUWOXGPCFUZGLE-MRXNPFEDSA-N 289.419 3.668 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)sc2C)cc1O 213708145 ZSQILYBWUVJWQO-XQRVVYSFSA-N 288.368 3.975 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1c[nH]c2cccc(C)c12 182641757 WAONIBNIXGRKAZ-CQSZACIVSA-N 284.403 3.880 30 20 CHED CC#CCCCC(=O)N(C)c1ccc(F)c(Cl)c1 186010695 UIRNOSKCMFWWNL-UHFFFAOYSA-N 267.731 3.636 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H](C)[C@@H](C)CC 180141364 KJGDTOIMMNWETB-KBPBESRZSA-N 275.392 3.550 30 20 CHED Cc1ccc(SCc2ccc(C#N)cc2C)nc1 186080918 SERVITQWJSTKIP-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)o1 78998400 AGNVEGMGYVJEPW-IINYFYTJSA-N 297.314 3.795 30 20 CHED C=C(C)CN(C)C(=O)Cc1cc(Cl)ccc1Cl 180475889 GXMVROCGAYKRGG-UHFFFAOYSA-N 272.175 3.570 30 20 CHED COc1cccc(/C=C\C(=O)c2cccs2)c1OC 33391928 IEAIVTMCGXHWPX-HJWRWDBZSA-N 274.341 3.661 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(F)cc1OCC#N)C(C)C 120783613 PNCFBACMZUPYBO-LBPRGKRZSA-N 292.354 3.739 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(C)cc1 31852020 WOTUTSHVRALFFT-AWEZNQCLSA-N 275.417 3.676 30 20 CHED C=C(C)CCOc1ccc2cc(C(=O)OC)oc2c1 505539599 IFCNJRHLIICBJY-UHFFFAOYSA-N 260.289 3.564 30 20 CHED CSC1(CNc2cc(Cl)ccc2C#N)CCOCC1 78412207 VJEJVSZHPWONHV-UHFFFAOYSA-N 296.823 3.536 30 20 CHED CC1(C)C[C@@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 128360509 BTYSXNZEHLHLRC-MWLCHTKSSA-N 297.185 3.720 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1 33558664 CDHWNXIYADIGFA-XGICHPGQSA-N 268.312 3.687 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(N(C)CCCC)cc1 181710163 ZDRXBGGFTPOWHM-UHFFFAOYSA-N 289.423 3.963 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](OCC)c1ccccc1 182613545 PPNVQTDBSBCALA-ZBFHGGJFSA-N 275.392 3.625 30 20 CHED Cc1ccc(CNc2nc(C(F)(F)F)ccc2C#N)cc1 78832674 TVWRAUGIFUREOL-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=C(Cl)CNC(=O)c1sc2cccc(F)c2c1C 134817294 DTPXKINKDVZKNF-UHFFFAOYSA-N 283.755 3.831 30 20 CHED Cc1cc(C)n(-c2cccc(N[C@@H]3CCC[C@@H](C#N)C3)c2)n1 185740357 BMEMMZKKENVUCU-HZPDHXFCSA-N 294.402 3.983 30 20 CHED CC(C)N(CCCNc1ncc(C#N)cc1Cl)C(C)C 74773078 LSZNDWDBNBCFIG-UHFFFAOYSA-N 294.830 3.527 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)CC#N)c(C)c1OC 414175021 YTHOFKBAXBAPHS-ZDUSSCGKSA-N 290.407 3.603 30 20 CHED Cc1ccc([C@@H]2OCCC[C@H]2Nc2ccc(C#N)cn2)cc1 74778287 WNRRPOYZBZFWTO-AEFFLSMTSA-N 293.370 3.594 30 20 CHED CC(C)CC[C@@H]1CCCN1CCCSCC#N 135321591 WBMSUCQNRHJVHY-AWEZNQCLSA-N 254.443 3.534 30 20 CHED N#Cc1cccc(NCc2cccc(F)c2Cl)c1 83442323 OFMGIYHEFPYNHN-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#Cc1ccc(OCCN2CCC[C@@H]2C2CCCC2)cc1 44352429 HVFKLPBSHQHZLG-GOSISDBHSA-N 284.403 3.592 30 20 CHED CC[C@H]1CCN(c2ccc(C#N)cc2Br)C1 135536553 REVFXZINCMUKDW-JTQLQIEISA-N 279.181 3.557 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCSC2(CCC2)CC1 413433275 JXGJXEKKJBUYKK-AWEZNQCLSA-N 296.480 3.802 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/CC2CCC(F)(F)CC2)C1 329186220 PTLORWGGYRFRSR-ONGXEEELSA-N 288.338 3.523 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)c1cccc(Cl)c1 500705130 OTFRTVNOSIRFGI-GFCCVEGCSA-N 281.783 3.674 30 20 CHED CN(C/C=C/c1ccc(F)cc1)Cc1cccc(C#N)c1 130773278 MWECMQZZELDIHK-ZZXKWVIFSA-N 280.346 3.843 30 20 CHED N#Cc1cccc(CNC[C@@H]2CCCc3ccccc32)c1 44862009 HVPIYMVEQWUIIL-SFHVURJKSA-N 276.383 3.768 30 20 CHED N#Cc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 86036042 UAAPYALWMLQUID-UHFFFAOYSA-N 273.339 3.594 30 20 CHED Cc1nccc(CC/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 328834002 LNVQJEDLMCPEDE-SQWLQELKSA-N 287.407 3.643 30 20 CHED Cc1c(C(=O)NCc2ccc(C#N)cc2)oc2ccccc12 45222981 TYQXRUUPWSPFBA-UHFFFAOYSA-N 290.322 3.543 30 20 CHED C/C(=C/C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C1CC1 131093657 ROGIXSDZMJEXAX-WQLSENKSSA-N 284.359 3.640 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@]1(C)C[C@@H]1F 425488795 LGSYMRYSNYCTLJ-DGFSRKRXSA-N 292.379 3.625 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)Nc1cccc(C#N)c1 519888418 UVJWPARTRMTTFS-UHFFFAOYSA-N 293.370 3.921 30 20 CHED CC1(C)CCCc2sc(N=C(O)C[C@H]3CCOC3)nc21 329608050 MZJFIZGVROMAEX-SNVBAGLBSA-N 294.420 3.772 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1sccc1C#N 518553766 MLNNVAPLMGNKGJ-WCQYABFASA-N 290.432 3.907 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OCCCC)cc1O 190108874 MSJIUBNEZBMYAP-UHFFFAOYSA-N 291.391 3.609 30 20 CHED CC(C)n1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)cn1 425369265 ZUKJKHQLZFGYBQ-AWEZNQCLSA-N 282.391 3.529 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](C)[C@H](C)CC)c1 512723712 XBNFBPBPOXXPAQ-CHWSQXEVSA-N 276.380 3.808 30 20 CHED N#CCOc1ccc(NC(=O)C2CCCCCCC2)cc1 86579639 STFJYZSSJMMNIR-UHFFFAOYSA-N 286.375 3.888 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc(C#N)cc2)cc1 194731771 GAPCOROTQZQICE-HNNXBMFYSA-N 292.382 3.629 30 20 CHED C=CCSCCNC(=O)Nc1ccc(CCC)cc1 195729801 GKQIHZOVCCPTOB-UHFFFAOYSA-N 278.421 3.680 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 86284633 UNNFOFXRVXOEDR-ZBFHGGJFSA-N 283.375 3.663 30 20 CHED CC(C)c1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 335135161 AJAMHMDGKNLDKZ-SWLSCSKDSA-N 271.364 3.624 30 20 CHED CC(C)c1cccc(-c2ccc(C(=O)NCCC#N)o2)c1 427650355 GTKCOKGQFNOPGA-UHFFFAOYSA-N 282.343 3.713 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCCOc1ccccc1C 429803232 QARFORLRDKXIRV-UHFFFAOYSA-N 289.419 3.825 30 20 CHED O/C(=N/[C@@H]1CCCc2c[nH]nc21)C1(c2ccc(F)cc2)CC1 330164372 VXGQQOGCBYNJTR-CQSZACIVSA-N 299.349 3.615 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C3(C#N)CC(C)C3)C2)cc1 518048549 WGHCYURODYHQBE-HLCARVAJSA-N 296.414 3.639 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1CCC[C@H](CC)C1 330803261 FHSCNFMVXXZXQP-NWDGAFQWSA-N 264.369 3.819 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@H](F)C1 335128443 CJLIPJKTXQBSEB-YPMHNXCESA-N 294.757 3.873 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H]2C2CC2)c(C#N)s1 91208397 IEUVAPZKHXGKJW-WDEREUQCSA-N 288.416 3.902 30 20 CHED N#CCC1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 334315766 RJRSUPOEGXVMEL-UHFFFAOYSA-N 295.745 3.637 30 20 CHED Cc1cc(Br)cc(NCC2(CC#N)CC2)c1 232068811 VWICPLDIPJMZOJ-UHFFFAOYSA-N 279.181 3.863 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2cccc(C#N)c2F)n1 334334821 YQUCWDXSMRLVKZ-KRWDZBQOSA-N 295.361 3.738 30 20 CHED CCOc1cc(/C=C\C(=O)c2cccc(O)c2)ccc1OC 97993491 DBFGENAPEQYTQV-CLFYSBASSA-N 298.338 3.696 30 20 CHED CC1(CC(=O)NCCc2cccc(C#N)c2)CCCCC1 330481960 SPQSJAMPSNMVLS-UHFFFAOYSA-N 284.403 3.577 30 20 CHED N#Cc1cc(F)ccc1NCc1ccccc1OC(F)F 96470560 BYWDFXCPXFCNNA-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=CCC[C@@H](N[C@@H](COC)C1CC1)c1ccccc1 90580618 RCUGBBCJZMZBTJ-SJORKVTESA-N 259.393 3.709 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccnn1-c1ccccc1C 439369818 LBKLYKSZTKKUKQ-CQSZACIVSA-N 298.390 3.657 30 20 CHED COc1ccc(CN2CCC[C@@H]2c2ccccc2)cc1C#N 340129042 NMDWAEKMJJVRNL-GOSISDBHSA-N 292.382 3.904 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc(-c2ccccc2)nc1 431941566 XEVJRWZQIPNAPG-UHFFFAOYSA-N 281.359 3.684 30 20 CHED CC(C)CN(C)c1c(C#N)cnc2c(F)ccc(Cl)c12 520981800 FHPQMLWRGFWWOR-UHFFFAOYSA-N 291.757 3.991 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(C#N)c1C 342947503 SFYFWEYEBSISEI-UHFFFAOYSA-N 286.375 3.568 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 249134775 WNIQCOVAJFJBBD-QGPMSJSTSA-N 271.404 3.993 30 20 CHED N#Cc1cc(F)ccc1NCc1ncc(-c2cccs2)[nH]1 340922748 MOJDILQAYSFVGV-UHFFFAOYSA-N 298.346 3.761 30 20 CHED CCN(C[C@H](C)CCC#N)[C@@H](C)c1ccc(C#N)cc1 602444766 PXLMGZPMWZZICA-CABCVRRESA-N 269.392 3.881 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccnc(C#N)c2)C1 342412878 LPVWRKZMWYYDMF-LSDHHAIUSA-N 277.371 3.644 30 20 CHED N#CCCN1CCC[C@@H](CCCc2ccccc2)C1 439150746 IFBUPXLKQUIMFG-QGZVFWFLSA-N 256.393 3.635 30 20 CHED Cc1nn(CCCOc2cccc3ccccc23)cc1C#N 439184084 DZLGXXVKNSVYNJ-UHFFFAOYSA-N 291.354 3.686 30 20 CHED C=CCC[C@H](NC(=O)N1C[C@@H](C)[C@H](C)C1)c1ccccc1 435108259 LAWZRRYHEORNTG-INMHGKMJSA-N 286.419 3.991 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N(CC#N)c1ccccc1 341650737 WBOMQZMCEMFHDH-UHFFFAOYSA-N 282.343 3.882 30 20 CHED CCN(C(=O)[C@@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 347035117 KFNWSKOVKZPSON-WDEREUQCSA-N 298.308 3.775 30 20 CHED Cc1cc(C)c(CC(=O)NCC(C)(C)CCC#N)c(C)c1 345976725 XNIJTSATAWYJQV-UHFFFAOYSA-N 286.419 3.601 30 20 CHED COc1ccc(Cl)cc1CSc1cc(C#N)ccn1 603726904 JYXYNYXWHLZTCM-UHFFFAOYSA-N 290.775 3.908 30 20 CHED CCCN(CC#N)C[C@H](C)c1cccc(Cl)c1 525866831 SVLBBCFZWJCWBI-LBPRGKRZSA-N 250.773 3.679 30 20 CHED CCOc1c(Cl)cccc1CN1CCC(F)(C#N)CC1 348701160 CFPKBXWRLUFFTM-UHFFFAOYSA-N 296.773 3.566 30 20 CHED C[C@@H](Nc1cnn(C(C)(C)C)c1)c1cccc(C#N)c1 183389339 FQTJUZXMKFZGCE-GFCCVEGCSA-N 268.364 3.683 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(OC(F)F)ccc1F 529198112 HLHCZPAFWHEFRQ-SNVBAGLBSA-N 299.292 3.608 30 20 CHED COCCSc1ccc([C@H](C)NCCCCC#N)cc1 341744123 MJHZBDNEPBJINW-AWEZNQCLSA-N 292.448 3.770 30 20 CHED C=CCOc1ccc(C(=O)N2CCCC3(CCC3)C2)cc1 347909701 HQAJKWHBQYFJQM-UHFFFAOYSA-N 285.387 3.658 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1c(F)cccc1Cl 522057132 TYDRBAHBMYSBLS-JTQLQIEISA-N 289.741 3.597 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)ccc1F 255799888 JSDFEZKRFJCUQF-OQFOIZHKSA-N 295.313 3.933 30 20 CHED C[C@H](CCO)C1(CNc2c(Cl)cccc2C#N)CCC1 342850393 OPLMYFSJWJTVSU-GFCCVEGCSA-N 292.810 3.812 30 20 CHED CCc1cc(OC)ccc1CNCC(C)(C)CCC#N 342284939 IRCIKCAJHLZTFD-UHFFFAOYSA-N 274.408 3.677 30 20 CHED CSCC[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 344686229 WXTDEKGVFJGFGA-XJKCOSOUSA-N 296.480 3.600 30 20 CHED N#CC1(Cn2cc(-c3cc(Cl)cc(Cl)c3)nn2)CC1 603228409 ZQOBEIVBIQQLRS-UHFFFAOYSA-N 293.157 3.556 30 20 CHED C[C@@H](CCC#N)CN1CC2(CCOCC2)[C@H]1c1ccccc1 602690773 OHVRODSIVPZNPP-FUHWJXTLSA-N 298.430 3.780 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)c(F)c1F 601040022 UEXNFHFJKDPWKO-UHFFFAOYSA-N 294.345 3.675 30 20 CHED Cc1nc(C)c(C#N)c(SC[C@H]2CCc3ccccc32)n1 355447624 MONYPPYROYRJOJ-CQSZACIVSA-N 295.411 3.787 30 20 CHED N#Cc1ccncc1NCCc1cccc(Cl)c1Cl 354559306 KHAJWRQRHKJBKU-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 536008904 UZYHYLABCHBPRA-UKRRQHHQSA-N 284.403 3.654 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 353549541 OQZYIEABIFENMD-LLVKDONJSA-N 283.306 3.580 30 20 CHED C=CCOCCCSCC(=O)Nc1cccc(CC)c1 359127412 XQBDDXGULPEXSO-UHFFFAOYSA-N 293.432 3.513 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 604913189 URYPYCUKGZJEGT-BYNSBNAKSA-N 264.413 3.609 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 449998207 GXQQWSIVOJKYNH-FUHWJXTLSA-N 288.435 3.889 30 20 CHED CC1(C)CN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@H]1C1CC1 359290039 MLCSVVDMSXGOAX-AEFFLSMTSA-N 296.414 3.721 30 20 CHED C=CC(C)(C)CNCc1ccc(OCc2ccncc2)cc1 449483607 BHPZSLVUMOBMSR-UHFFFAOYSA-N 296.414 3.962 30 20 CHED Cc1cc(CNCc2cccc3cccnc23)ccc1C#N 443976764 FFCGGJWIGFWMBR-UHFFFAOYSA-N 287.366 3.705 30 20 CHED C=CCOCCCC(=O)NCc1cc2ccccc2s1 266308155 VXYBLPWEPQAUNK-UHFFFAOYSA-N 289.400 3.500 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccc(CC)n1 449855954 LNYVEZQTBDGNDL-UHFFFAOYSA-N 286.419 3.853 30 20 CHED C/C=C/c1ccc(NCc2nc(C#N)cs2)cc1 352852829 KRUPACIEJWZGMY-NSCUHMNNSA-N 255.346 3.660 30 20 CHED CC(C)CC(CC(C)C)NC(=O)N1CCC[C@](C)(C#N)C1 612120916 YCNHSSORFCNCKQ-QGZVFWFLSA-N 293.455 3.782 30 20 CHED CCN(CCCCC#N)Cc1ccc(Cl)cc1 263803440 KOWHVODSJVTFFP-UHFFFAOYSA-N 250.773 3.856 30 20 CHED N#Cc1ccc(NCCc2ccc3[nH]ccc3c2)c(F)c1 440559830 GKKURXPCYYKDGY-UHFFFAOYSA-N 279.318 3.833 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccccc1Cl 539388608 PCGDKQLKHYQMGJ-GFCCVEGCSA-N 280.799 3.884 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 614534461 BZZOCVLGGJSROM-WBMJQRKESA-N 292.338 3.945 30 20 CHED C=CCC[C@H](O)CN[C@H](c1cccc(F)c1)C(C)(C)C 538233151 JRTVXNUWWCNFOZ-JKSUJKDBSA-N 279.399 3.830 30 20 CHED Cc1cccc2c1CCCN2C(=O)c1ccc(CC#N)cc1 611150474 UJDLUTVPZINHIM-UHFFFAOYSA-N 290.366 3.654 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC=C(C(F)(F)F)CC1 537262318 DADSFAWYIXMOBU-LLVKDONJSA-N 290.329 3.635 30 20 CHED CCc1cccnc1NCc1ccc(N(C)CCC#N)cc1 269820960 PJVFZRUPFKMTRR-UHFFFAOYSA-N 294.402 3.606 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccco1 367592334 CCRVBNVOGUJMMA-HLLBOEOZSA-N 275.392 3.834 30 20 CHED CO[C@@H]1C[C@H](NCc2ccccc2C(C)(C)C#N)C12CCC2 459774931 USXDMBAVUDHFAW-DLBZAZTESA-N 298.430 3.535 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1F 362298125 SQZJKEJGGLHPJY-LSDHHAIUSA-N 298.292 3.579 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H]1CCOC(C)(C)C1 453408455 GQGALSICKLWSBQ-HUUCEWRRSA-N 253.430 3.916 30 20 CHED Cc1ccc2[nH]c(C(=O)N3CCC[C@@](C)(C#N)C3)cc2c1C 612364193 FUUDNLIMBGNZOX-SFHVURJKSA-N 295.386 3.551 30 20 CHED N#CCc1ccc(NCCC(F)(F)F)c(Cl)c1 453122146 FZPBMDTVWNIFIN-UHFFFAOYSA-N 262.662 3.770 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC)cc1C)C1CC1 271456866 DMGTUBNMGACVDY-UHFFFAOYSA-N 274.364 3.576 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2C[C@H](c3ccccc3)C2)C1 367183100 BLVILGABFVUREI-MXASKKJJSA-N 254.377 3.605 30 20 CHED C=CCCCc1nc([C@H](OC)c2ccccc2Cl)no1 273864886 CJVUFIOTDSPZQU-CQSZACIVSA-N 292.766 3.968 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cc(C)cc(C#N)c1 455953890 LFGIYIUGVXYQHU-SWLSCSKDSA-N 271.364 3.519 30 20 CHED CC(C)(C#N)CCCCN1CC[C@H](CN2CCCCC2)C1 365436334 ZCEUBUNVSVUFDX-QGZVFWFLSA-N 291.483 3.514 30 20 CHED C=CC(C)(C)c1nc(Cc2c[nH]c3cc(F)ccc23)no1 453106711 ZPOFFDFQWQZICG-UHFFFAOYSA-N 285.322 3.744 30 20 CHED N#Cc1ccnc(NCc2ccc(-c3ccncc3)cc2)c1 367734923 UOZPVKMLXXOYDL-UHFFFAOYSA-N 286.338 3.627 30 20 CHED C=CCC1(C(=O)Nc2sc(C)c(C)c2C#N)CCC1 362479465 IPYGEIGOASZLLK-UHFFFAOYSA-N 274.389 3.922 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc2ccn(C)c2c1 454865758 PLFBNDJXCINTSZ-UHFFFAOYSA-N 271.364 3.512 30 20 CHED CSc1ccc(C)c(C(=O)N[C@@](C)(C#N)C(C)(C)C)c1 274330561 MEGRLNSNDOUCQC-INIZCTEOSA-N 290.432 3.775 30 20 CHED C=CCCC[C@H](C)NC(=O)N1Cc2cccc(F)c2C1 458627841 WOBZQBAJLBOEGZ-LBPRGKRZSA-N 276.355 3.596 30 20 CHED COc1ccsc1CNc1ccccc1O[C@@H](C)C#N 272408512 BPUXNEDPXYZVGI-NSHDSACASA-N 288.372 3.660 30 20 CHED CC(C)CCCCC(=O)N[C@]1(C#N)CCc2ccccc2C1 457759577 ZDUFXZSGHGZYCV-LJQANCHMSA-N 298.430 3.770 30 20 CHED C[C@H](CNC[C@@H](C)C#N)Cc1ccc(C(C)(C)C)cc1 543624569 ULCHFIIRCYMDDU-GJZGRUSLSA-N 272.436 3.912 30 20 CHED CCO[C@H](CC(=O)Nc1cccc(CC#N)c1)C1=CCCC1 456746168 HTYDDANLQVWPCX-QGZVFWFLSA-N 298.386 3.597 30 20 CHED CC(C)(C#N)CCSCCOc1ccccc1C#N 276608998 LIOQZECZMBXIPR-UHFFFAOYSA-N 274.389 3.610 30 20 CHED N#CC1(COc2ccc(C(=O)c3ccccc3)cc2)CCC1 450626398 VJXDTFSEWVWZHV-UHFFFAOYSA-N 291.350 3.990 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](CC)C1CCC(C)CC1 546597421 DHLBLIGYIUBOBZ-NEXFUWMNSA-N 264.413 3.647 30 20 CHED C=CCC1(CNC(=O)c2cnn(C(C)(C)C)c2)CCCC1 456488480 RAGHELNPBKUPIN-UHFFFAOYSA-N 289.423 3.504 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)c1ccccc1 542536492 HMABKAFMZBNDPL-HUUCEWRRSA-N 274.408 3.834 30 20 CHED CC(C)(C#N)CC(=O)N1CCC(CCc2ccccc2)CC1 278800298 NNQLZMCYHFOMTR-UHFFFAOYSA-N 298.430 3.798 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(OCC)cc1C)OCC 270008413 DPOUYXRACKWLCS-MRXNPFEDSA-N 291.391 3.704 30 20 CHED COCCC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCC1 271931926 IPZCLWVRBZMWTF-CYBMUJFWSA-N 290.382 3.555 30 20 CHED C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)c(F)c1 272706363 ZTQUIJMFWBOVQB-ABAIWWIYSA-N 290.382 3.694 30 20 CHED C=CC(C)(C)CCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 628316284 PTQPVDFOJWDAFW-KBPBESRZSA-N 293.357 3.787 30 20 CHED Cc1ccc([C@@H](NCCCCC#N)c2ccccn2)cc1 279926476 FSPKCVUZHORCHC-GOSISDBHSA-N 279.387 3.763 30 20 CHED C=CCCN(C)C(=O)c1ccc(C(C)(C)C)s1 276438319 SKEBOSKJWSWQRR-UHFFFAOYSA-N 251.395 3.694 30 20 CHED C=CCN(C(=O)c1cnc(-c2ccccc2)s1)C1CC1 271443014 CTCYCUUJVNEMIM-UHFFFAOYSA-N 284.384 3.601 30 20 CHED C=CCCCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 468376442 CUZJYUDDJUHXNK-MNOVXSKESA-N 281.758 3.665 30 20 CHED Cc1cccc([C@H]2CCN(Cc3cccc(C#N)c3)C2)c1 541386410 KDBGTKYSAGTGIQ-IBGZPJMESA-N 276.383 3.856 30 20 CHED C=C(CC)CN1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 463216675 WGZUWGNXYVKUFT-NXOAAHMSSA-N 265.441 3.604 30 20 CHED C=CCC[C@@H](C(=O)N1CC(C)(CC)C1)c1ccccc1 462737078 VHZCFYGAHOAPIF-MRXNPFEDSA-N 271.404 3.995 30 20 CHED C=CCCCCNC(=O)c1ccc(C)c(Cl)c1F 469339788 YXENLSMSEOFCMM-UHFFFAOYSA-N 269.747 3.874 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CCCCC(C)(C)C 557471668 RIEHBUHGAVLMPV-OAHLLOKOSA-N 252.402 3.647 30 20 CHED C[C@H](C(=O)NC1CCCCCC1)c1cccc(C#N)c1 461764350 JKMPIIZPRLXLQC-ZDUSSCGKSA-N 270.376 3.501 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccc(C)cc1O 280227228 VCQZZEIDQHFFCN-KRWDZBQOSA-N 280.371 3.813 30 20 CHED CCOc1ccccc1[C@@H](CC)NC(=O)[C@@](C)(C#N)CC 288390658 LPXUUNYWUCLKNQ-RHSMWYFYSA-N 288.391 3.592 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1CCC1(C)C)c1ccccc1 558025641 XCZUHAFIQWPODW-HUUCEWRRSA-N 257.377 3.651 30 20 CHED CN(C(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 284982423 AAPYMTUVNBNYKQ-UHFFFAOYSA-N 276.767 3.616 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N[C@@H](CC)CC#N 280664411 DLPWYAZWIITAQV-HNNXBMFYSA-N 287.407 3.934 30 20 CHED C=CCN1CCC(NC[C@H](c2ccccc2)C(C)C)CC1 474706760 HUVIFKHITUOSDJ-IBGZPJMESA-N 286.463 3.666 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(F)cc1F 280719342 UVTGDNUUSUNBRI-MKBNYLNASA-N 281.346 3.597 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 555819981 FUISWMLYQSDSPA-HZPDHXFCSA-N 299.418 3.596 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H](C)CCCC)cc1 552583293 VPTOSULKHGVZLJ-AWEZNQCLSA-N 275.392 3.694 30 20 CHED CCCc1nnc(S)n1N=Cc1ccc2ccccc2c1 808008329 FJHDAUCZJLSEPY-UHFFFAOYSA-N 296.399 3.555 30 20 CHED C#Cc1cccc(N(C(=O)CCCCCC#N)C(C)C)c1 808367380 NLFGDLPHNKEATN-UHFFFAOYSA-N 282.387 3.883 30 20 CHED CCCC1(C=NOCC)CCN(C(=O)OC(C)(C)C)CC1 807960425 GRDBKJKFENUVCL-UHFFFAOYSA-N 298.427 3.826 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)nc2Cl)[C@H]1C#N 801551029 HCWXJUUUWQJOOH-NSHDSACASA-N 298.217 3.903 30 20 CHED CO[C@@H](CSCCO[C@@H](C)C#N)c1ccc(Cl)cc1 802752939 ZAKQOAAEKUQPFD-FZMZJTMJSA-N 299.823 3.689 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C(C)(C)C)s1 479287232 WJAOGERUISCJAB-UHFFFAOYSA-N 251.395 3.694 30 20 CHED C=C(C)CCOC(=O)c1scnc1C(C)(C)C 803376823 PPISDRINNIVRSD-UHFFFAOYSA-N 253.367 3.564 30 20 CHED Cc1ccccc1/C=C\C(=O)c1cccc(C(=O)O)c1 806559252 XXBLUFVNJJDJEB-KTKRTIGZSA-N 266.296 3.589 30 20 CHED CC(C)(Cc1ccc(C(F)(F)F)cc1)NCCC#N 298582748 RDFRGKQHVRVSDX-UHFFFAOYSA-N 270.298 3.530 30 20 CHED Cc1n[nH]c(C)c1[C@H]1CCCCCN1Cc1ccc(C#N)o1 290359640 GRWJAHBGUWCFFO-MRXNPFEDSA-N 298.390 3.609 30 20 CHED N#CC[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1 701288963 OHGNQLUTJXTNFU-DUMNWFOQSA-N 294.807 3.567 30 20 CHED C=C(CC)CNC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 645532556 BKQNADLKXKODAM-CQSZACIVSA-N 298.390 3.580 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OC[C@H]1C[C@H]2CC[C@H]1C2 800013651 DWVJZRMATLWVGZ-VOISCLMNSA-N 281.355 3.551 30 20 CHED C=CCCC1(C(=O)N[C@H](CC)Cc2ccccc2)CC1 475582915 DERMICDVRZVJPM-MRXNPFEDSA-N 271.404 3.870 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)[C@H](C#N)CCc1ccccc1 563761933 DVSSCRZRPOOKNT-DLBZAZTESA-N 298.430 3.701 30 20 CHED N#Cc1ccncc1C(=O)OCc1csc2ccccc12 805717687 SZWIIOBRYJTVDM-UHFFFAOYSA-N 294.335 3.525 30 20 CHED Cc1ccc(SCC(=O)Nc2ccccc2CC#N)cc1 564641849 KBOOYUMBDVRIAZ-UHFFFAOYSA-N 296.395 3.792 30 20 CHED C[C@H](CC(C)(C)C#N)NC1CC(OCc2ccccc2)C1 716210694 AJHHASMQPGYXRH-ODIFPOPNSA-N 286.419 3.652 30 20 CHED CC1CC(=NNc2c(F)cc(F)cc2Br)C1 814857751 VPBFAKAOMJTYCM-UHFFFAOYSA-N 289.123 3.925 30 20 CHED Cc1cccc(C)c1CN[C@H]1CCc2ccc(C#N)cc21 810227239 ACZFASGSAMXPBQ-IBGZPJMESA-N 276.383 3.952 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)o1 811692602 XSGDJIDJTDENGR-SOFGYWHQSA-N 269.275 3.749 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc2c(c1)CC(C)(C)O2 489016234 ROJWGTHNJPAWIL-UHFFFAOYSA-N 296.370 3.640 30 20 CHED N#Cc1ccncc1N[C@H]1CC[C@@H](c2cccc(F)c2)C1 480783315 CMNBCDKUGZNMTQ-CJNGLKHVSA-N 281.334 3.841 30 20 CHED CCCC(C)(C)CC(=O)N[C@H](C#N)c1ccccc1F 486431350 CYMPAQAQDDFKHX-CQSZACIVSA-N 276.355 3.723 30 20 CHED COc1cc(F)ccc1NN=C1CC[C@@H]1C1CCC1 814916434 UGYZNZSSRUJCPM-GFCCVEGCSA-N 262.328 3.812 30 20 CHED C=CCCn1cc(-c2nc3ccc(F)cc3n2C(C)C)nn1 656486443 ZICBFMGIRWVUOO-UHFFFAOYSA-N 299.353 3.591 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(Cl)cc1OC 817579262 BDTMIKPZRMARMS-SECBINFHSA-N 260.164 3.752 30 20 CHED C[C@H](COc1ccccc1)NN=C1CC(c2ccccc2)C1 814935609 PJQYVBRRJYQYCM-LDCVWXEPSA-N 294.398 3.977 30 20 CHED CC(=NOC/C=C\Cl)[C@@H]1CCN(Cc2ccccc2)C1 811669641 RPIGFXGHOCUSRC-RBGKGJMBSA-N 292.810 3.654 30 20 CHED CCOc1ccc(NN=C(C)c2cc(F)ccc2O)cc1 814984881 LEJWFHLNIUWNPL-UHFFFAOYSA-N 288.322 3.766 30 20 CHED Cc1ccoc1CN(C)Cc1ccc(O[C@@H](C)C#N)cc1 814174938 NMHFJZSNVRGBEK-AWEZNQCLSA-N 284.359 3.511 30 20 CHED Cc1cc(Cl)cc(C=NNc2cc(C)nc(C)n2)c1 814807361 QYIQGNQRYPHRCS-UHFFFAOYSA-N 274.755 3.501 30 20 CHED C=CCCCCCSCC(=O)N[C@H](C)C(C)C 485587329 CSLATKREWJWHMV-CYBMUJFWSA-N 257.443 3.627 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(O)c(F)c1 728427780 VMHLAMSEYKDYEN-UHFFFAOYSA-N 258.296 3.676 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(F)c(Cl)c1 811670452 SMDPXHJRVOCREP-MDIBBOIVSA-N 262.111 3.972 30 20 CHED COc1ccc([C@H](OC(=O)CCCC#N)C2CC2)c(C)c1 813081222 KSWLGYWOCVFIMR-QGZVFWFLSA-N 287.359 3.692 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2cccc(F)n2)CS1 814927993 QRIDXNMHGIHRPG-JTQLQIEISA-N 267.373 3.540 30 20 CHED C=CCN(C(=O)c1cccc(C(F)F)c1)C(C)C 729175245 PYMGKZRYBBFXAW-UHFFFAOYSA-N 253.292 3.661 30 20 CHED CC(C)OCCON=C1CCCOc2c(Cl)cccc21 812239458 VTUNQLWWMRAOIL-UHFFFAOYSA-N 297.782 3.658 30 20 CHED C=CCCCC(=O)N1CCSC12CCCCC2 577886521 NBUWMIGFQDXJJW-UHFFFAOYSA-N 253.411 3.579 30 20 CHED C=CCCCCN[C@@H](Cc1nc(C)no1)c1ccccc1 576583540 VKRYYJGRQNPPRY-INIZCTEOSA-N 285.391 3.608 30 20 CHED C=C(C)CN(C)C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F 497831184 HOCYWUGEWIRLDH-NEPJUHHUSA-N 292.345 3.573 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H](CC)C(C)(C)C 497637679 IUWPQXMHUXRERI-OAHLLOKOSA-N 292.423 3.844 30 20 CHED N#CC1(CNC(=O)c2sccc2C(F)F)CCCCC1 824588804 QGMQWOPNBPTDSA-UHFFFAOYSA-N 298.358 3.890 30 20 CHED C=CCN(C(=O)c1cccc2c1CCCC2)C(C)C 823096359 CTJBOANOWFVXMI-UHFFFAOYSA-N 257.377 3.602 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1(C)CC(F)(F)C1 823604652 HPIKOEPNPHLYLJ-CQSZACIVSA-N 293.357 3.725 30 20 CHED C#C[C@@H](CC)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 491640624 YVARWJJQFKZEFE-VIFPVBQESA-N 292.791 3.538 30 20 CHED CC(C)c1ccc(OCCNc2cccnc2C#N)cc1 581103995 AQFAVYAMPISYAV-UHFFFAOYSA-N 281.359 3.568 30 20 CHED C=C(CC)CN1CCOc2ccc(Br)cc2C1 582134892 XMOMHHUODUHCGQ-UHFFFAOYSA-N 296.208 3.610 30 20 CHED CC(C)c1ccccc1Nc1ccc(C(=O)NO)cc1 901367583 JOBREKFLGFNZGS-UHFFFAOYSA-N 270.332 3.673 30 20 CHED C=CCCC(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 588037252 DDPYGCJCBDDFKZ-LLVKDONJSA-N 278.421 3.953 30 20 CHED C=CCCNC(=O)Nc1ccc(F)c(C(F)(F)F)c1 665885580 KZVVWGKAVMORDH-UHFFFAOYSA-N 276.233 3.542 30 20 CHED CCCCC(COC)=NNc1cccc([N+](=O)[O-])c1C 737432117 VGXMZRFKOCBBAF-UHFFFAOYSA-N 279.340 3.508 30 20 CHED C=C(Cl)CNC(=S)Nc1ccc(C(C)C)cc1 735982636 VLAAGHPLLKIOFJ-UHFFFAOYSA-N 268.813 3.849 30 20 CHED Cc1sc(NC(=O)CCCC#N)nc1-c1ccccc1 589686232 WGYDNSHMJHOYCA-UHFFFAOYSA-N 285.372 3.751 30 20 CHED C=C(Cl)CNC(=O)N(CCc1ccccc1)CC(C)C 736400594 ZYZQDVDYXZZIHS-UHFFFAOYSA-N 294.826 3.649 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cnc(Cl)c(Cl)c2)C1 839055500 JUEOQFFOSKDMQQ-PSASIEDQSA-N 299.157 3.628 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@@H]1c1ccc(C)cc1)C(=O)O 901692839 PRXMHLZZVDIPBK-ZACQAIPSSA-N 287.403 3.640 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccccn1 835132064 HMDABMOCJKSDHZ-ANQUJSFKSA-N 285.387 3.762 30 20 CHED C=CCONC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 838711828 MONFCUPIPPNCTK-VXGBXAGGSA-N 296.798 3.591 30 20 CHED Clc1cc(Cl)c(NN=Cc2ncc[nH]2)c(Cl)c1 731150363 GXWXGHQWSYHSEX-UHFFFAOYSA-N 289.553 3.816 30 20 CHED CC(C)(C)C#CC(=O)NC1(c2ccc(F)cc2)CCCC1 837389922 BNXSPCNSJMYJOT-UHFFFAOYSA-N 287.378 3.761 30 20 CHED CC[C@@H](NC1CCC(OC)CC1)c1cccc(C#N)c1 903016084 DPSOYTWGVVTGPM-OFLPRAFFSA-N 272.392 3.557 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@]1(C)CCc2ccccc21 830269871 DAYSKKNZFUJJNY-SFHVURJKSA-N 285.387 3.764 30 20 CHED CC(C(=O)O[C@@H](C)c1ccc(C#N)cc1)=C1CCC1 838238152 UQBMYWWQWJKVES-LBPRGKRZSA-N 255.317 3.663 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)/C(C)=C\CC 839889968 CSHKROMTHNNTBX-IHWMJMDHSA-N 257.377 3.646 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(OC)ccn1 734771986 WXGOSQDFKXBFGF-UHFFFAOYSA-N 292.423 3.913 30 20 CHED C[C@H](CC(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 839043174 KIQHLDBMCZWHKK-IJEWVQPXSA-N 271.360 3.806 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(C(=O)O)s2)c1C 731156879 OHXICVXSVNONPZ-VOTSOKGWSA-N 286.352 3.959 30 20 CHED CC[C@@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1C#N 738602563 RXVPTFXOHVGRHH-SECBINFHSA-N 290.388 3.508 30 20 CHED CCC[C@@H](C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 735793653 WXLBJAQREKLOTQ-YPMHNXCESA-N 283.375 3.874 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCc2c[nH]c3ccccc23)C1 839041937 FPMSMFVTNXUTSW-HIFRSBDPSA-N 296.370 3.726 30 20 CHED CC(C)C#CC(=O)N[C@@H](CC1CCC1)c1ccccc1 831799038 CFPQKEGUZOHUEE-KRWDZBQOSA-N 269.388 3.694 30 20 CHED Brc1csc(C=NNc2ccccc2)c1 916247327 PPWLBLCSFQSEIK-UHFFFAOYSA-N 281.178 3.957 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](CC#N)c1ccccc1 598445793 SFQUNOILPNMGTE-QDZFIJTISA-N 296.414 3.863 30 20 CHED C#CCCCCC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 833598774 MLJVYTVYBOFNPD-ROUUACIJSA-N 283.415 3.880 30 20 CHED N#CCCCCCc1nc(C2(c3ccc(F)cc3)CC2)no1 591665876 YALALQQYXRKKRM-UHFFFAOYSA-N 299.349 3.915 30 20 CHED CC[C@](C)(C#N)NC(=O)CCC1CCCCCC1 593996154 LUUICJDMUSCMHR-OAHLLOKOSA-N 250.386 3.545 30 20 CHED C#CCOc1ccc(C(=O)N(CC)c2cccc(C)c2)cc1 741532758 QNEJORKCFCGQAF-UHFFFAOYSA-N 293.366 3.674 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1F 590632019 PPZINALHMWSWJA-ZFWWWQNUSA-N 288.366 3.530 30 20 CHED C/C(=C\C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 917644674 FSGQMUIOIFZGEF-ZQHYZAEZSA-N 290.366 3.839 30 20 CHED C=CCOc1ccc(OC(=O)[C@H](C)c2ccco2)cc1 742860628 BFECFQMHGGBSPR-GFCCVEGCSA-N 272.300 3.554 30 20 CHED C=CCCSCCOc1ccc2c(C)cc(=O)oc2c1 740898042 MFGZEJHEMUJANL-UHFFFAOYSA-N 290.384 3.790 30 20 CHED C=CCOc1ccc(CN2[C@H]3C=CC[C@H]2CC3)cc1OC 678341998 NEXDSMPXIFTZIH-HOTGVXAUSA-N 285.387 3.553 30 20 CHED CCCc1ccc(CN2CCC(CC#N)CC2)s1 598672621 ARUWIGDRFKPTQU-UHFFFAOYSA-N 262.422 3.826 30 20 CHED C#CC1CCN(C(=O)[C@@H](CCCCC)C(C)C)CC1 843706142 KXXOQUQEDCPXEM-INIZCTEOSA-N 263.425 3.711 30 20 CHED C=CCC1(NCCCCC(=O)OCC)CCCCC1 599609448 HVIOYTVFIJIRPF-UHFFFAOYSA-N 267.413 3.588 30 20 CHED C=CCOc1ccccc1C(=O)Oc1cc(F)cc(F)c1 749520745 WDJYBUMHSRFQEJ-UHFFFAOYSA-N 290.265 3.749 30 20 CHED N#Cc1ccc(N(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C2CCC2)cc1 598885569 MXYZRUJOQOPYPM-RLFYNMQTSA-N 294.398 3.880 30 20 CHED Cc1ccc(C=NNCCC(F)(F)F)c(Cl)c1 844593024 JAWZHHXIQWUFNN-UHFFFAOYSA-N 264.678 3.524 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccc(Cl)cc1C 840934431 QKQCZIRRAKYYFN-UHFFFAOYSA-N 286.824 3.920 30 20 CHED Clc1ccc(CNN=C2CCn3cccc32)c(Cl)c1 914696934 VSZGDRFPBYCRRD-UHFFFAOYSA-N 294.185 3.693 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 598827142 FVQXLZLTJGCLHN-HALDLXJZSA-N 298.386 3.722 30 20 CHED CC(C)N(CCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 592153993 GHMAXEXASREKSC-IBGZPJMESA-N 299.462 3.665 30 20 CHED CC(=NNc1ccccn1)c1ccccc1C(F)(F)F 912787070 ZKRRPDUTQZXRDK-UHFFFAOYSA-N 279.265 3.937 30 20 CHED C=CCSc1nc2ccccc2n1CN(C)C1CCC1 742173856 YROAWWCZZIOEIB-UHFFFAOYSA-N 287.432 3.756 30 20 CHED C[C@@H]1CC(=NNc2cccnn2)C[C@H](c2ccccc2)C1 749859566 RCZSUASHDGGOLD-DZGCQCFKSA-N 280.375 3.848 30 20 CHED C=CCOc1ccc(OC(=O)C[C@H](C)C2CC2)cc1 742861603 AKDMYKOOMLVKFS-LBPRGKRZSA-N 260.333 3.593 30 20 CHED C#C[C@H](OC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C)c1ccccc1 842363434 ITLKEYNGJTYPIG-LXZKKBNFSA-N 298.382 3.546 30 20 CHED Cc1cc(C(=O)OCc2cccc(C#N)c2)c(C)n1C(C)C 844182414 AIRIKHUFHNYEBI-UHFFFAOYSA-N 296.370 3.915 30 20 CHED CC(C)(CC#N)C/N=C\c1cc(Br)ccc1O 840709390 CPZLIQGNUWHQAQ-PXNMLYILSA-N 295.180 3.513 30 20 CHED Clc1cccc2c1CC(=NOCc1cccnc1)CC2 841632735 LZPAIPRJANBYEW-UHFFFAOYSA-N 286.762 3.797 30 20 CHED Clc1ccccc1CNN=Cc1csc(C2CC2)n1 920373997 UAMXBEDNBBEDQY-UHFFFAOYSA-N 291.807 3.798 30 20 CHED CC[C@H](CSCc1cc(Cl)ccc1OCC#N)OC 842174156 BYNBEMAUHUWDRJ-CYBMUJFWSA-N 299.823 3.901 30 20 CHED CC(CCCCC#N)=NNc1cc(F)c(F)c(F)c1 841628327 SWHPJDOIBWNRKO-UHFFFAOYSA-N 269.270 3.976 30 20 CHED CCOc1ccc(NCC2(CC#N)CC2)cc1Cl 849313545 CLLOBPLMWRAFSR-UHFFFAOYSA-N 264.756 3.844 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCO[C@@H](c2ccccc2)C1 682360123 KNLPEZVKQLBYNV-AEFFLSMTSA-N 287.403 3.579 30 20 CHED CC(CC1CCCC1)=NNc1cnc2ccccc2n1 752733943 NBSQLPMSVVJZJQ-UHFFFAOYSA-N 268.364 3.998 30 20 CHED CCc1cnccc1[C@H](C)N[C@@H](C)CC(C)(C)C#N 925685191 KRYQBXXWQVADAE-STQMWFEESA-N 259.397 3.623 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cc2ccc(F)cc2s1 751161678 SQKAYGFBMFYDOC-LLVKDONJSA-N 277.320 3.745 30 20 CHED CC[C@@H](OC(=O)CSCC#N)c1ccc(Cl)cc1 920843213 ZCNWBMFVQPPWSS-GFCCVEGCSA-N 283.780 3.591 30 20 CHED C=CCNC(=S)N(CCc1ccccc1)c1ccccc1 921143517 MPUQDTJIVCDTQG-UHFFFAOYSA-N 296.439 3.796 30 20 CHED C[C@H](C#N)Oc1ccc(-c2nc3cnccc3s2)cc1 758452594 CKEKXBMUZRMWJJ-SNVBAGLBSA-N 281.340 3.649 30 20 CHED C#C[C@](C)(CC)NC(=O)CCc1cccc(C(F)(F)F)c1 854700591 VSGHXHRGEBQYGY-OAHLLOKOSA-N 297.320 3.556 30 20 CHED C#CCCCC(=O)O[C@@H](CC)c1cc(OC)cc(OC)c1 851473500 HMFXVSQOUJJHIM-INIZCTEOSA-N 290.359 3.502 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1(c2ccccc2)CCC1 851213154 OECVDLSKRKUPIT-AWEZNQCLSA-N 285.387 3.980 30 20 CHED Clc1c[nH]ccc1=NN=C(CC1CC1)c1ccccc1 756837986 FWNJPCRAOIMLSG-UHFFFAOYSA-N 285.778 3.773 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnn(C2CCCC2)c1 928796205 FRQRLMHFGLLMOC-UHFFFAOYSA-N 261.369 3.539 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)COc2ccccc21 755571385 ZUNDHAXTRMVSOL-WZUFQYTHSA-N 272.250 3.624 30 20 CHED CCC(CC)NN=Cc1cccc(F)c1OC(F)F 853308570 OBYQDOKMVJMQNJ-UHFFFAOYSA-N 274.286 3.539 30 20 CHED COc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1F 757535091 QOECGWMMXOAJDV-XFXZXTDPSA-N 262.324 3.997 30 20 CHED C#CCCCNC(=O)Nc1cc(Cl)c(F)c(Cl)c1 755500026 JIHDFHANFFOQPV-UHFFFAOYSA-N 289.137 3.667 30 20 CHED Cn1cc(C=NNc2ccccc2[N+](=O)[O-])c2ccccc21 755465865 QGXLTOSKSDDKEL-UHFFFAOYSA-N 294.314 3.533 30 20 CHED CC(=NOCC(F)F)c1sc(C(C)C)nc1C 758902085 BGLUEYVXDUUMBI-UHFFFAOYSA-N 262.325 3.581 30 20 CHED C=CCCOCC(=O)N(C)c1ccc(CCCC)cc1 752372613 QKKXIHMWTIPXJA-UHFFFAOYSA-N 275.392 3.585 30 20 CHED N#Cc1ccc(-c2ccn(CCC3CCC3)n2)cc1 853663836 KOVZQOACZCOOAG-UHFFFAOYSA-N 251.333 3.612 30 20 CHED C#CC[C@H](NC(=O)c1cc(C)c(C)s1)c1ccccc1 757580104 PCUGQRBBAITPHZ-HNNXBMFYSA-N 283.396 3.859 30 20 CHED N#Cc1cc(C(=O)Oc2cc(F)cc(F)c2)ccc1Cl 754199497 LBRDDPBXPUEEKY-UHFFFAOYSA-N 293.656 3.709 30 20 CHED CCCCCC[C@@H](C)C(=O)N1CCC[C@](C)(C#N)C1 753164193 OHWHQQRZKSDELB-GDBMZVCRSA-N 264.413 3.745 30 20 CHED CS(C)(=O)=Nc1cccc(NCc2cccc(C#N)c2)c1 864015420 NSKWPEHOXCWINR-UHFFFAOYSA-N 299.399 3.529 30 20 CHED CCO[C@H]1CC(=NNCc2cnc3ccccc3c2)C1(C)C 764788002 IBTNJVGCBOCOPB-KRWDZBQOSA-N 297.402 3.515 30 20 CHED CCC[C@H](C(=O)OC[C@@H](C)C#N)c1cccc(Cl)c1 860616653 XLNSBEFJQBRZCQ-FZMZJTMJSA-N 279.767 3.927 30 20 CHED Cn1cc(NN=C2CCC[C@H](C(C)(C)C)CC2)cn1 761860720 NZXQHJVTFDRKPD-LBPRGKRZSA-N 262.401 3.814 30 20 CHED FC(F)(F)C1CCC(=NNc2ccc(Cl)nn2)CC1 766009855 PEUAJQHODGCYHB-UHFFFAOYSA-N 292.692 3.650 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)N(C)C[C@@H](C)C#N 930487435 ZMLZHIIBVBVOOR-AWEZNQCLSA-N 292.382 3.894 30 20 CHED Cc1ccc(NN=C[C@H](C)c2cccc(Cl)c2)nn1 763363453 RFKKLLWAFJHWNQ-JTQLQIEISA-N 274.755 3.640 30 20 CHED CC#CCCCCOC(=O)c1[nH]c(-c2ccccc2)nc1C 768113552 RPILEENJQVBMJR-UHFFFAOYSA-N 296.370 3.736 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 767244450 YBKSGBDXIFIWLN-GHMZBOCLSA-N 298.213 3.652 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H](CC)c1ccncc1 933246546 CLWBFQZNXQSHRH-DZGCQCFKSA-N 260.381 3.593 30 20 CHED CCCCCCCNC(=O)c1c(C)oc(C)c1C 862359962 XPJVKOAUIPQHEB-UHFFFAOYSA-N 251.370 3.905 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1 863864805 WNZNICCZHUHREY-HZPDHXFCSA-N 297.354 3.977 30 20 CHED CCN(Cc1ccc(N(CC)CC)c(F)c1)C[C@H](C)C#N 768880134 CREJJNZFHCHIGU-CQSZACIVSA-N 291.414 3.653 30 20 CHED CC(=NNc1c(F)cccc1F)c1cncc(C)c1 767378587 IDQAPSFFADYBMG-UHFFFAOYSA-N 261.275 3.504 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 765927331 PRXMEFGSDIDSGQ-DJIMGWMZSA-N 297.402 3.540 30 20 CHED C=CCc1ccc(OC(=O)CCC(C)C)c(OC)c1 875117774 NMTNBWJOEJHVCJ-UHFFFAOYSA-N 262.349 3.765 30 20 CHED CCCCCCCNC(=O)N(Cc1ccccn1)C1CC1 875765461 OYEYTRBFHBUDBH-UHFFFAOYSA-N 289.423 3.726 30 20 CHED CC(C)(C(=O)Nc1cc(C#N)c(F)cc1F)C1CCC1 876348801 QVFSUWFHDBFOCN-UHFFFAOYSA-N 278.302 3.601 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCC#Cc2ccc(F)cc2)c1 771359621 BEWMQIPJXRGHQW-OAHLLOKOSA-N 296.341 3.833 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(Oc2cccnc2)c(C)c1 775184022 SOBYFLWWHRDNAB-HNNXBMFYSA-N 280.371 3.636 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)CC#Cc1ccccc1 1116270810 NBKVFUFLTALUCA-INIZCTEOSA-N 289.378 3.796 30 20 CHED C=CC[C@H](C(=O)OC/C=C/Cl)c1ccccc1 778419051 PRAASDFYYKTMLS-PPOCWRSBSA-N 250.725 3.642 30 20 CHED CCCCCCCNC(=O)N(C)C1CCC(OC)CC1 875765796 ZOPOQDFWNLJQFB-UHFFFAOYSA-N 284.444 3.556 30 20 CHED C[C@@H]1C[C@H](CC(=O)OCC2(C#N)CC2)CC(C)(C)C1 775854924 JNNUHZOJBNRVBZ-CHWSQXEVSA-N 263.381 3.686 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCc2c(C)cccc21 779904672 IIQZMSUPRCPMFK-KRWDZBQOSA-N 269.388 3.682 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2coc(-c3ccccc3)n2)C1 1116807830 VYWYYFPGNNJESD-ZBFHGGJFSA-N 295.386 3.556 30 20 CHED CC(C)Oc1ccc(C(=O)OCCC(C)(C)C#N)cc1 776356307 ZWLITQNNTQFYRP-UHFFFAOYSA-N 275.348 3.570 30 20 CHED CCc1ccccc1NN=Cc1ccc(C#N)cc1F 772841897 XWYUINXGMAFNCH-UHFFFAOYSA-N 267.307 3.706 30 20 CHED CC1CC(C#N)(C(=O)OCC2CCC(C)(C)CC2)C1 775869072 XUVDWAIAQJGTCP-UHFFFAOYSA-N 263.381 3.686 30 20 CHED N#Cc1ccc(NC(=O)c2coc3ccc(Cl)cc23)nc1 1125789018 KOYHMAJOHSKCGD-UHFFFAOYSA-N 297.701 3.605 30 20 CHED C=C(CC)CN(C)C1CCC(NC(=O)OC(C)(C)C)CC1 773426245 YXASXQAWZRTKHT-UHFFFAOYSA-N 296.455 3.720 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2cc(C#N)ccc2F)CC1(C)C 888369441 WLZXSPDODXOBFP-CQSZACIVSA-N 289.354 3.596 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1 788035350 ZSBOLNSEEFATLJ-SNVBAGLBSA-N 288.174 3.771 30 20 CHED C#CCCCCCC(=O)N1CC[C@H]1c1cccc(F)c1 780588628 AUXKDICPCXMKIF-INIZCTEOSA-N 273.351 3.683 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCC[C@@H](C)C2)CCCCC1 788156703 FWOZHQDFTCUITH-HUUCEWRRSA-N 261.409 3.655 30 20 CHED C=C[C@H]1CCCCN1C[C@@H](O)c1ccc(F)cc1Cl 785997005 JFJWBZCALAQCFQ-SWLSCSKDSA-N 283.774 3.553 30 20 CHED Cc1cc(C)c(C#N)c(NCCCOc2ccccc2F)n1 784220149 WKDSMQIDJJYVJV-UHFFFAOYSA-N 299.349 3.590 30 20 CHED C=CCCCC(=O)OCc1ccc(Cl)cc1F 781182795 KKMAABHZDBZSDG-UHFFFAOYSA-N 256.704 3.879 30 20 CHED Fc1ccc(Br)c(C=NNC2CCCCC2)c1 786041004 UCBQJVUTZHSYGU-UHFFFAOYSA-N 299.187 3.844 30 20 CHED CC(CCC1CCCCC1)=NOC[C@@H]1CCOC1 788036489 KFGNYYZZILDQNI-OAHLLOKOSA-N 253.386 3.776 30 20 CHED CC1=CC(=NNc2ncncc2Cl)CC(C)(C)C1 780283072 PUDZFPMIEKNIFU-UHFFFAOYSA-N 264.760 3.664 30 20 CHED COc1cc(C)ccc1Oc1ccccc1CNCCC#N 894581232 ZPFAIWYFPDRNPH-UHFFFAOYSA-N 296.370 3.799 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 791065658 AEZBQSWYOYITJS-GJZGRUSLSA-N 290.794 3.598 30 20 CHED C=C(C)CCc1noc([C@@H]2CC(c3ccc(C)cc3)=NO2)n1 896280909 KTZNGKFVCLLMHV-HNNXBMFYSA-N 297.358 3.752 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNCCC(F)(F)F 794552080 HKHXMHRWKFJDNW-UHFFFAOYSA-N 278.705 3.833 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCc2ccccc2F)cc1 796037015 RMPBYQMOJOUILE-UHFFFAOYSA-N 297.329 3.984 30 20 CHED COc1cccc(/C=N/[C@H]2C[C@H](c3ccccc3)C2)c1O 797784725 GNFKNKLWOJLNOV-PCZNSANZSA-N 281.355 3.766 30 20 CHED C=CCNN=C(C)c1ccc(SCC(F)(F)F)cc1 795000140 ZYCXPXOGILHWES-UHFFFAOYSA-N 288.338 3.841 30 20 CHED CC[C@H]1CCC[C@@H]1CNCc1ccc(C#N)c(C)c1 1202458048 YSUSUKUROWMNGH-DOTOQJQBSA-N 256.393 3.783 30 20 CHED CCCCOc1ccc(/C=C/C(=O)c2ccnc(O)c2)cc1 791430532 CFMXTNOAYLLFEF-RMKNXTFCSA-N 297.354 3.862 30 20 CHED COc1ccc(N[C@H]2CC[C@H](C#N)C2)c(Br)c1 799723446 JGPKKUHXYHUGAY-UWVGGRQHSA-N 295.180 3.562 30 20 CHED CC(C)(C(=O)OCCC1CCC1)c1cc(F)cc(C#N)c1 797266914 NARBBDAPYXCZEZ-UHFFFAOYSA-N 289.350 3.708 30 20 CHED C#C[C@H](CCC)NC(=O)NCc1csc2ccccc12 791014030 VVVHSYPLBOYZIU-CYBMUJFWSA-N 286.400 3.502 30 20 CHED CCc1cccc2c1OC/C(=C\c1cccs1)C2=O 794723675 JAUMIQYKLIBUNZ-FMIVXFBMSA-N 270.353 3.969 30 20 CHED C=CCC[C@H](C(=O)OCC(=O)C1(C)CC1)c1ccccc1 795598946 VZTHIJYZIYMKIX-HNNXBMFYSA-N 286.371 3.649 30 20 CHED CCCCCCCCC(=O)OC[C@H]1CCC[C@H](O)C1 795332313 HJEXMTUUCJZCMA-GJZGRUSLSA-N 270.413 3.831 30 20 CHED Cc1cccnc1NN=Cc1nc(-c2ccccc2)cs1 790185696 KTXJZQQODZCISD-UHFFFAOYSA-N 294.383 3.960 30 20 CHED CN(CCc1ccccc1Cl)Cc1ccc(C#N)cc1 58907128 IUMDECAZVLNMGE-UHFFFAOYSA-N 284.790 3.886 30 20 CHED Cc1cc(C)cc(NC(=O)c2cc(C#N)ccc2F)c1 75913911 NARVOPJHMCTEHP-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Fc1ccc(CNN=Cc2ccc(Cl)c(F)c2)cc1 1319196492 YGYBWAQHDSZFMZ-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C=C(C)COCCN[C@@H](CCC)c1ccc(OC)cc1 90451131 YQHVUFUXNFOPGG-KRWDZBQOSA-N 277.408 3.719 30 20 CHED CCc1nc2c(s1)C(=NOC(C)(C)C)CCC2 1319579649 XGLJFONXEMYQDM-UHFFFAOYSA-N 252.383 3.561 30 20 CHED N#CC[C@@H]1CCCN(Cc2cscc2Cl)C1 597175538 BKHZBUBYWQOTTC-JTQLQIEISA-N 254.786 3.527 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(F)c(N)c1 1327445256 AALPTKLDGBLUGY-UHFFFAOYSA-N 279.359 3.618 30 20 CHED N#Cc1ccc(N[C@@]23CCC[C@@H]2C3)cc1Br 693159422 CJWFLMARFUZPIW-ZWNOBZJWSA-N 277.165 3.675 30 20 CHED C[C@H](CCC#N)CN1CCO[C@H](c2ccc(Cl)s2)C1 1331692983 UTWVYRIAGJLXQD-NEPJUHHUSA-N 298.839 3.715 30 20 CHED CC(C)C[C@@H](C)C=NNc1cncc(Br)c1 1256541653 FSCKLAZYYMHUNU-SNVBAGLBSA-N 284.201 3.924 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(OC(C)C)cc1 90398044 HELNDXKPXYNCSV-HNNXBMFYSA-N 259.393 3.928 30 20 CHED CC(C)n1cc([C@@H](C)Nc2cc(C#N)cc(Cl)n2)cn1 1336515950 GYFCIPFXAKUYBC-SNVBAGLBSA-N 289.770 3.557 30 20 CHED CCCc1ccc(COC(=O)Cc2ccc(C#N)cc2)cc1 1338157655 PENBHQODNOCAQF-UHFFFAOYSA-N 293.366 3.797 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 1335806097 ICYRZUOOTZQDBC-HNNXBMFYSA-N 275.367 3.573 30 20 CHED C[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccc(F)c(F)c1 1345125555 UTHJWMIFINTGPS-MNOVXSKESA-N 295.329 3.940 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C1=C(c2ccccc2)CCCC1 1262822837 LTBLJAJHAZMHHI-AWEZNQCLSA-N 282.387 3.775 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)Cc1ccco1)c1cccs1 1343902493 UFMFTFFSUDYZKF-XHDPSFHLSA-N 289.356 3.718 30 20 CHED N#Cc1cc(C(=O)OC[C@@H]2CCc3ccccc32)cs1 1343484149 NDCNBCDTDSGMSZ-LBPRGKRZSA-N 283.352 3.507 30 20 CHED CCCCCCCCCC(=O)[C@H](C#N)c1nccn1C 1343717193 OOBPVCCVBDFDSY-AWEZNQCLSA-N 275.396 3.737 30 20 CHED N#CC1(c2ccccc2)CC(NC2(c3ccccc3)CC2)C1 1343271785 COPAOTFHFPVAQF-UHFFFAOYSA-N 288.394 3.889 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C(C)C)nn1CC 1261781201 MMHISHXHZCKLNG-UHFFFAOYSA-N 277.412 3.501 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)OC1CCCCC1 1348751377 XASLOHSYWZSNIB-QWHCGFSZSA-N 281.396 3.596 30 20 CHED N#CCc1cccc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)c1 1344492807 DNAQFOWCWIYCTM-CVEARBPZSA-N 297.402 3.797 30 20 CHED N#Cc1ccsc1NC(=O)N1CC2(CC2)c2ccccc21 1341895591 WDOKMSNVVQOMEJ-UHFFFAOYSA-N 295.367 3.703 30 20 CHED CCC(CC)c1nnc(N(C)[C@H](C)CC#N)n1CC(C)C 1342906163 DQSRDVLURVPBII-CYBMUJFWSA-N 291.443 3.576 30 20 CHED C[C@H](CCC(=O)N[C@@H](C#N)C1CCCC1)c1ccccc1 1354137184 FRRMJKGXFJVMRA-PBHICJAKSA-N 284.403 3.769 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)c1csc(C#N)c1 1351631760 NNCIBRJYZAYAMW-OAHLLOKOSA-N 298.411 3.761 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccoc1Br 1514859053 NYADURRAIDQYDE-SNVBAGLBSA-N 298.180 3.613 30 20 CHED Cc1cccc2oc(C(=O)OC3(CC#N)CCC3)cc12 1518591863 RGXXVMNKOOEQBL-UHFFFAOYSA-N 269.300 3.734 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@H]2CCC2CCCC2)n1 1458258370 YUWWBUVYZWDQOR-INIZCTEOSA-N 298.434 3.850 30 20 CHED Cc1cc(Cl)cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 1528082141 UXMGXLWGLPATIP-BXUZGUMPSA-N 277.751 3.888 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCCC[C@H]1C(C)C 1520766920 YUZZRGWKOXMRRN-HNNXBMFYSA-N 274.364 3.501 30 20 CHED COc1cc(CN2CC[C@H]2c2ccc(F)cc2)ccc1C#N 1462637856 XKWNADNERZYWDM-KRWDZBQOSA-N 296.345 3.653 30 20 CHED CC[C@H]1COC(C)(C)CN1Cc1ccc(Cl)cc1C#N 1473618487 SLEZXKXLBDQEHN-HNNXBMFYSA-N 292.810 3.601 30 20 CHED CSc1ccc(Oc2ncc(C#N)cc2F)cc1 1559048400 FDENLPQFCPICQS-UHFFFAOYSA-N 260.293 3.607 30 20 CHED COc1ccc([C@H](C)COc2ccc(C#N)c(F)c2)cc1 1559372970 TYFUBUHOQFFGCU-GFCCVEGCSA-N 285.318 3.888 30 20 CHED Cc1nnc(S[C@H](C)c2ccccc2F)c(C#N)c1C 1559085758 YOWBMOOQYRMGOI-LLVKDONJSA-N 287.363 3.958 30 20 CHED CCC(CC)(CN=c1cc(C)[nH]cc1C#N)c1ccccc1 1639547735 KHOTWCGBLLDHNE-UHFFFAOYSA-N 293.414 3.854 30 20 CHED C=C[C@H](OC(=O)c1cccc(NC(=O)O)c1)c1ccccc1 1573348446 XCPFUAQEMCRIQF-HNNXBMFYSA-N 297.310 3.861 30 20 CHED Cc1cc(SCC(=O)c2ccsc2)ccc1C#N 1656667111 PFHVVRFXJSTWMB-UHFFFAOYSA-N 273.382 3.903 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccccc1NC(C)C 1584804720 IVETVUBDVYWFJK-UHFFFAOYSA-N 293.370 3.939 30 20 CHED CC(C)[C@H]1CCCCCN1CCCC1(C#N)CCOCC1 1653916698 PQKIUIDJIDLNNW-QGZVFWFLSA-N 292.467 3.988 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc2ncccc12 1656186635 QHOMSBUWTQIXJU-HXUWFJFHSA-N 299.377 3.884 30 20 CHED C/C=C/c1ccc(Oc2ncc(C#N)cc2F)c(OC)c1 1654872388 ANFORTBCCSKSCD-ONEGZZNKSA-N 284.290 3.926 30 20 CHED C[C@H](CCC#N)CN1CC(C)(C)Oc2ccccc21 1657670530 IYWPBWULWCEVTO-CYBMUJFWSA-N 258.365 3.604 30 20 CHED CCc1ccc(C=NNc2cccc(F)c2C(=O)O)s1 1597519817 CQZBARFHUORPQQ-UHFFFAOYSA-N 292.335 3.594 30 20 CHED C=CCC1(C(=O)O)CCN([C@H](C)c2ccccc2F)CC1 1776157381 HEGVLTWBPBWDIL-CYBMUJFWSA-N 291.366 3.630 30 20 CHED C[C@@]12C[C@@H]1CCCC2=NNc1ccc(F)c(C(=O)O)c1 1776062770 JLZGNPPNVATZQF-BJOHPYRUSA-N 276.311 3.502 30 20 CHED CC(CC(C)(C)C)=NNc1ccc(F)c(C(=O)O)c1 1776063597 YKVWSAPVUPOVFQ-UHFFFAOYSA-N 266.316 3.748 30 20 CHED Cc1ccc(C=NNc2ccccc2C(=O)O)cc1Cl 1776030532 MCOJMLKPJJPCFL-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)OCc2ccc(C#N)cc2)C1(C)C 5159137 MQRCYPSLRFLLOE-JKSUJKDBSA-N 283.371 3.840 30 20 CHED N#Cc1cccc(NC(=O)/C=C/c2ccc(Cl)s2)c1 14282593 KKTIQJQXIGEPFA-FNORWQNLSA-N 288.759 3.925 30 20 CHED N#Cc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 7155734 WJJRUOYCUWUNDZ-VGOFMYFVSA-N 280.714 3.704 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 161273627 YGPKVLMZGXSHKG-QWHCGFSZSA-N 283.293 3.501 30 20 CHED CCn1cc(C(=O)/C=C/c2cc3cc(OC)ccc3o2)cn1 160501665 UPFWPBBSACOFHI-GQCTYLIASA-N 296.326 3.554 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)c1cccc(C#N)c1 163035450 HFPSWCKTGLMMTG-MRXNPFEDSA-N 270.376 3.599 30 20 CHED COc1ccc(C#N)cc1COc1ccc2ncccc2c1 163420320 IQGDVLQXPYRGTA-UHFFFAOYSA-N 290.322 3.694 30 20 CHED CC(C)(C#N)c1ccccc1CSc1nncn1C1CC1 151368296 XBIYKKICTZPCBZ-UHFFFAOYSA-N 298.415 3.706 30 20 CHED CC(C)CCc1nc(CN(CC#N)C2CCCC2)cs1 151130314 STPXQBFCUZLFIS-UHFFFAOYSA-N 291.464 4.000 30 20 CHED C[C@H](c1ccco1)N(C(=O)Nc1cccc(C#N)c1)C1CC1 152887901 HGLPIQDMWYYYSZ-GFCCVEGCSA-N 295.342 3.909 30 20 CHED C=CCOc1ccccc1CNC(=O)Nc1ccsc1 157506917 ACRAFQURJDWTSM-UHFFFAOYSA-N 288.372 3.635 30 20 CHED CC[C@@H](C)N(CCCC(C)(C)C#N)CC(=O)OC(C)(C)C 159228204 DQXFMAMSTNSWAO-CQSZACIVSA-N 296.455 3.759 30 20 CHED N#Cc1sc(N2CCCC23CCCCC3)nc1Cl 804577957 JDMWRPDYJYQMKR-UHFFFAOYSA-N 281.812 3.971 30 20 CHED C#C[C@@H](CC)NCc1cc(Cl)c(OC)cc1Cl 809686190 ZNMDYCUPLFBVKU-JTQLQIEISA-N 272.175 3.503 30 20 CHED C=C(CNCc1cc(F)ccc1F)c1ccccc1 110057544 MGRLIPVLELHUMT-UHFFFAOYSA-N 259.299 3.768 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)[C@H]1C[C@H]2CC[C@H]1C2 251515384 IVDLODNUSXZAQP-TWJWRFFLSA-N 272.367 3.612 30 20 CHED N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 227688454 FLZUPKDLMNOXFQ-QPUJVOFHSA-N 298.173 3.807 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCc1ccc(Cl)cc1Cl 127621801 TVBSSEIPSNSLKN-AWEZNQCLSA-N 299.201 3.734 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCC(F)(F)F 173428926 ZIXMIMITCZIUIX-UHFFFAOYSA-N 271.282 3.544 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2C=CCC2)ccc1Cl 284472801 OHXGTJONNUNTNC-SNVBAGLBSA-N 260.724 3.506 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1)CC(F)F 177912190 HRPDZHCHKJCEFA-UHFFFAOYSA-N 267.319 3.637 30 20 CHED CC1(C)CN(c2nc(Cl)c(C#N)s2)[C@@H]2CCC[C@@H]21 294022199 KUBSXRNGKJTNCQ-DTWKUNHWSA-N 281.812 3.683 30 20 CHED N#C[C@@H](C(=O)c1ccc2sccc2c1)c1ccccn1 350628673 ZJXOXTXDCIEBDM-CYBMUJFWSA-N 278.336 3.786 30 20 CHED N#C[C@H]1CCC[C@H]1NC1CC(c2ccccc2Cl)C1 61891938 NZCCXMHCYNJBQF-NEQJSVFRSA-N 274.795 3.868 30 20 CHED CC[C@H](CNc1snc(C)c1C#N)CC(F)(F)F 402634537 DUNWDSZXXFXBHR-QMMMGPOBSA-N 277.315 3.714 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCCn1nc(C)cc1C 657822153 WPEIJROZVMAUKP-DLBZAZTESA-N 275.440 3.615 30 20 CHED C=C(C)CN(CCOC(C)(C)C)Cc1ccccc1 470908488 ITHDYTYUIYTIAM-UHFFFAOYSA-N 261.409 3.880 30 20 CHED N#CCc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 399117640 NLWPWYGAYJWSGS-ROUUACIJSA-N 268.404 3.907 30 20 CHED C(=NOCc1ccccc1)c1cc2ccccc2[nH]1 788420777 AQXNZIAXCNYCMN-UHFFFAOYSA-N 250.301 3.719 30 20 CHED N#Cc1cc2c3c(c(C#N)cc4c3c1CCC4)CCC2 2332241120 MADBSRYREUMDJR-UHFFFAOYSA-N 258.324 3.561 30 20 CHED N#CCOc1ccc(NC2CC(c3ccccc3)C2)cc1 36840497 XBHOYTYPHCYWFA-UHFFFAOYSA-N 278.355 3.947 30 20 CHED C[C@@H](N[C@H]1CCc2c(O)cccc21)c1ccc(C#N)cc1 36991936 PHPCDGNTBYTMBA-PXAZEXFGSA-N 278.355 3.602 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(Cl)cn1C 46394858 ZTOZTSZFQYFWPR-UHFFFAOYSA-N 288.778 3.507 30 20 CHED N#Cc1c(Cl)cccc1NCc1ccccc1[N+](=O)[O-] 48337323 PVDITXIOMACPMI-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CCCOc1ccc(NC(=O)c2cccc(C#N)c2)c(C)c1 55989763 XXCIKHMHQRXKOW-UHFFFAOYSA-N 294.354 3.908 30 20 CHED CCC(C#N)(CC)C(=O)NCc1ccc(C(F)(F)F)cc1 61627116 APYHPMAMSPPCNB-UHFFFAOYSA-N 298.308 3.652 30 20 CHED CC(C)[C@H]1CCCN(CCOc2ccccc2C#N)CC1 79378650 YUBVJOOXKKPFHB-INIZCTEOSA-N 286.419 3.695 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1Nc1ccc(C#N)cn1 80231399 KVNNGZRRSLMAIY-APPDUMDISA-N 281.334 3.828 30 20 CHED CCCCSc1nc(C(F)(F)F)ccc1C#N 94336935 GXBYSIHSHZLTNJ-UHFFFAOYSA-N 260.284 3.864 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@H](CC)C2)c1 98029856 NHDQWEDFGYZGNP-AWEZNQCLSA-N 288.391 3.905 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(OCCC(C)C)cc1 98067339 IIRFYABWLTUYAU-UHFFFAOYSA-N 287.403 3.926 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C)cc2)c1 113961452 GMKDVRXTYYPZHB-SFHVURJKSA-N 294.398 3.966 30 20 CHED CCCCCCCCC(=O)NCCc1ccc(N)cc1 115854674 BTEVGDIWERFFFJ-UHFFFAOYSA-N 276.424 3.678 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1cccs1 116974084 HHVABDXGVVUICW-RYUDHWBXSA-N 264.394 3.559 30 20 CHED C=CCC[C@H](NCc1ccc(-n2cccn2)cc1)C1CC1 120191717 FOUPTIAEMSNNLW-SFHVURJKSA-N 281.403 3.707 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H](C)c1cccs1 120650901 JOMGBJLERHAAOK-GFCCVEGCSA-N 286.400 3.821 30 20 CHED C#Cc1cccc(NC(=O)c2cc(Cl)ncc2Cl)c1 121617859 COUMSLBXRHFRJK-UHFFFAOYSA-N 291.137 3.622 30 20 CHED CN(CC#Cc1cccc(Cl)c1)Cc1ccc(C#N)cc1 122147475 ZLNYUSOHDGQAGW-UHFFFAOYSA-N 294.785 3.695 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(OCCC(C)C)CC1 124281119 BGHOWZXHEPNMBN-UHFFFAOYSA-N 293.451 3.809 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(F)cc1Cl 124433421 UAVOMQLLEYCPOS-JTQLQIEISA-N 294.757 3.740 30 20 CHED CCN(C(=O)C1=CCCCC1)[C@@H](C)c1ccc(C#N)cc1 126064582 YPEJFVYOQBPAJN-AWEZNQCLSA-N 282.387 3.968 30 20 CHED C=CCCCCCN(C)C(=O)NCCC1CCC1 131066325 VCQURMNWNYIMBG-UHFFFAOYSA-N 252.402 3.564 30 20 CHED Cc1ccc(OCCCC(C)(C)C#N)cc1[N+](=O)[O-] 131628222 AEBVHUNXDKMBAS-UHFFFAOYSA-N 262.309 3.612 30 20 CHED N#Cc1ccc(NCc2ccc(OCC(F)F)cc2)cc1 132864329 MCBHRLPSQZZSHM-UHFFFAOYSA-N 288.297 3.814 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)c1nc(C)cs1 134040959 LCZMITFWNKLUAE-UHFFFAOYSA-N 278.421 3.571 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 136964317 OQLPNIITBQWEKC-CQSZACIVSA-N 282.368 3.678 30 20 CHED C=CCCC(=O)NCc1ccc(C)cc1O[C@@H](C)CC 151009617 ASGUQUGWUCUUJR-AWEZNQCLSA-N 275.392 3.755 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C(=O)CC)cc1 151125550 RPDPPHOOZARNFG-UHFFFAOYSA-N 272.344 3.953 30 20 CHED CCCC1(CNCc2ccc(O[C@H](C)C#N)cc2)CC1 151572537 XSASNJIKMIGOEC-CQSZACIVSA-N 272.392 3.647 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1CCC 151698203 YMTSDMWOUICIKU-UHFFFAOYSA-N 258.365 3.564 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H](CC)c1ccc(OC)cc1 152257732 NOYRJXPRJZLTAU-UONOGXRCSA-N 275.392 3.660 30 20 CHED CCn1nccc1/C=C/C(=O)c1cccc2ccccc12 152589927 SUPMZVHCYLLFKS-ZHACJKMWSA-N 276.339 3.952 30 20 CHED C=C[C@@H](C)NC(=O)CCc1cccc(OC2CCCC2)c1 154165921 DAFQAVXLCBXXGC-CQSZACIVSA-N 287.403 3.631 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(C(C)(C)C)cc1 155426263 OFJVPZFWYSQNFA-CYBMUJFWSA-N 273.380 3.798 30 20 CHED C=C(C)CNc1nc(-c2cccc(C#N)c2)cs1 158375726 LEHNHXIQTKIILD-UHFFFAOYSA-N 255.346 3.670 30 20 CHED CCN(C(=O)c1cc(C)c(F)c(C)c1)c1ccc(C#N)cc1 159356059 DAMPCNGYDBGCNQ-UHFFFAOYSA-N 296.345 3.981 30 20 CHED Cc1ccc(C#N)c(NCc2coc(-c3cccs3)n2)n1 160425895 FZSSLSGYMZAQCO-UHFFFAOYSA-N 296.355 3.590 30 20 CHED N#Cc1cccc(NCc2cc(F)cc3cccnc23)c1 161156728 HLMYLSQPEXEQIJ-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CC[C@H](C)[C@H](C(=O)Nc1ccc(C#N)cn1)c1ccccc1 161671543 XHYDFSIIROYYHL-GUYCJALGSA-N 293.370 3.722 30 20 CHED C=C[C@@H](C)NCc1ccc(Cl)c(Br)c1 162697430 RGOCJPICDGEHDM-MRVPVSSYSA-N 274.589 3.767 30 20 CHED N#Cc1ccc(COc2ccc(C#N)c(F)c2)c(Cl)c1 162995837 IPVHJMDEIATNNQ-UHFFFAOYSA-N 286.693 3.801 30 20 CHED N#C[C@H](NC(=O)CC1CCC1)c1cccc(Cl)c1Cl 173250985 ZWPCNHBXPXNXCM-LBPRGKRZSA-N 297.185 3.864 30 20 CHED C=CCOCCCC(=O)Nc1ccc(COC(C)C)cc1 173806009 SZKPNLIGBRQVJH-UHFFFAOYSA-N 291.391 3.533 30 20 CHED CCN(C(=O)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 174077296 UANHPUFHRSSMOG-UHFFFAOYSA-N 286.281 3.503 30 20 CHED C[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 174907035 WKQMCZOXPDRCKR-LBPRGKRZSA-N 271.364 3.504 30 20 CHED O=C1/C(=C/c2cc(O)ccc2[N+](=O)[O-])CCc2ccccc21 176379038 XXYDRUSHJPLMQR-FMIVXFBMSA-N 295.294 3.513 30 20 CHED C=CCN1CCC(N[C@@H]2CC(C)(C)Cc3occc32)CC1 177907528 MJXQMSAVJSGPPA-MRXNPFEDSA-N 288.435 3.533 30 20 CHED COCCCCO/N=C(\C)c1cc2ccccc2o1 179343687 BKRCCBWAKZUADT-FOWTUZBSSA-N 261.321 3.600 30 20 CHED C=CCCCC(=O)Nc1cc(CSCC)ccn1 179419262 IUBGCJDNTIXUPW-UHFFFAOYSA-N 264.394 3.630 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)Cc1ccc(C#N)o1 179695200 YUSJZKAZMHNDPE-CQSZACIVSA-N 268.360 3.952 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 185892353 MFVWDDANHSHHPP-CXHZTBPHSA-N 268.404 3.982 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1CCC[C@@H]1C 185998034 OPBURPZRIZKKLO-IHRRRGAJSA-N 286.375 3.742 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1nc2ccccc2o1 186120349 LSYWYRAXPMHFKY-GFCCVEGCSA-N 271.316 3.626 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@H](C)c1cccc(O)c1 186292170 XCLRHRPHQRNHFE-CQSZACIVSA-N 280.371 3.765 30 20 CHED C#CCOc1ccccc1NC(=O)CCCc1cccs1 187214705 OSZQMTKFKZMZBM-UHFFFAOYSA-N 299.395 3.722 30 20 CHED C=CCOc1cccc(NC(=O)Nc2ccc(O)cc2C)c1 189829016 VFMHUANGSMUARZ-UHFFFAOYSA-N 298.342 3.909 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2sccc2[nH]1 191994097 JIILYAOSPVXSHW-UHFFFAOYSA-N 281.340 3.662 30 20 CHED Cc1cc(Cl)ccc1C(=O)N(C)c1ccccc1C#N 228831803 BWSCTMQRYOTRIH-UHFFFAOYSA-N 284.746 3.797 30 20 CHED N#Cc1ccc(Cl)cc1OC[C@@H](O)CC1CCCC1 232135832 NPWBVXHWZSAWDT-AWEZNQCLSA-N 279.767 3.532 30 20 CHED COc1cc(C#N)cc(OCc2cccc(Cl)c2)c1 234985121 VAYFTDNONWIAQP-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2ccc(N(C)CCC#N)cc2)C1 237581999 OWIIEMAETDIXKN-SJLPKXTDSA-N 299.462 3.952 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@@](C)(C#N)CCc1ccccc1 249050147 WRKYFTDKZQUNCT-SZVBFZGTSA-N 298.430 3.844 30 20 CHED Fc1cccc(CON=Cc2cccs2)c1F 254999955 RSHZKKMLTWSSCK-UHFFFAOYSA-N 253.273 3.577 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2cc(F)cc(F)c2)c1 255338571 LRFVWLFMHISPFS-PLNGDYQASA-N 269.250 3.733 30 20 CHED O=C1/C(=C\c2ccccc2[N+](=O)[O-])Cc2ccc(F)cc21 255378695 RGEQIIALZNMUJO-WQLSENKSSA-N 283.258 3.556 30 20 CHED N#CCCCOc1cccc(N=Cc2ccccc2O)c1 255715452 LPLJHLNWLNSDNM-UHFFFAOYSA-N 280.327 3.825 30 20 CHED CC(C)Oc1ccc(N/C(N)=N/[C@H]2C[C@@]2(C)C(C)C)cc1 263058348 FGGITXDTTVXFKJ-RDJZCZTQSA-N 289.423 3.635 30 20 CHED CCCN(Cc1cccc(C#N)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 265872539 MRDYZVXPEHBNNG-KURKYZTESA-N 298.430 3.584 30 20 CHED CC(C)(C)c1cnc(CNc2cccc(F)c2C#N)o1 267089291 UISVXZQRIQRWLB-UHFFFAOYSA-N 273.311 3.595 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)c1cccc(F)c1F)OCC 270956215 WLZRMKDYDOGABS-FZMZJTMJSA-N 297.345 3.513 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(C(F)(F)F)cc1 272436209 RRBHKDYQAXOKOY-CQSZACIVSA-N 298.308 3.764 30 20 CHED Cc1ccnc(N2CCC[C@H]2c2ccccc2)c1C#N 273352530 PLBQVXUBFFOMOD-INIZCTEOSA-N 263.344 3.603 30 20 CHED CC[C@H](NCCCC#N)c1cccc(Cl)c1F 274080925 RAZUJQDIXJZWAH-LBPRGKRZSA-N 254.736 3.824 30 20 CHED C=CCCCCNC(=O)c1cnn(CC(C)C)c1C(F)F 274454171 IHJIXAQSXZRFNP-UHFFFAOYSA-N 299.365 3.563 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)cnc1Cl 276526257 UAYYDAOWKYNPCH-ZDUSSCGKSA-N 252.745 3.584 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 276988177 ICEBOXCDNFCNAN-NSHDSACASA-N 299.292 3.566 30 20 CHED C=CC[C@H]1N(C(=O)c2cnc(C)s2)CCCC1(C)C 278310716 HFNNJNKYBWXFNX-CYBMUJFWSA-N 278.421 3.658 30 20 CHED COc1ccc2cc(COC(=O)CC(C)(C)C#N)ccc2c1 278380211 HLVKDBGAOKZNEV-UHFFFAOYSA-N 297.354 3.831 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 278380443 HPUFHKVCAPJPKO-JTQLQIEISA-N 298.308 3.822 30 20 CHED N#CC1(CCCSCc2ccco2)CCOCC1 280947639 IUFPSOMAZKELEM-UHFFFAOYSA-N 265.378 3.613 30 20 CHED CC[C@@H]1CCc2nc(NC(=O)[C@](C)(C#N)CC)sc2C1 285006918 HGHVWKNVIMLEPC-BMIGLBTASA-N 291.420 3.536 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 285814467 QWUISBNFEGQKHL-PBHICJAKSA-N 287.359 3.772 30 20 CHED C[C@]1(c2ccccc2)CCCN(C(=O)C2(C#N)CCC2)CC1 285933307 HGUHWJNKVUGEMO-SFHVURJKSA-N 296.414 3.651 30 20 CHED Cc1nsc(SCCSC(C)(C)C)c1C#N 288026746 AEMZMPKHMHHCOH-UHFFFAOYSA-N 272.464 3.947 30 20 CHED CN(c1ncccc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 289216122 YUMUNOGRHRAXGX-TXEJJXNPSA-N 283.297 3.511 30 20 CHED C#CCCCCN[C@@H](C)c1nccc2ccccc12 290666817 KZVMIYNZWAURNO-AWEZNQCLSA-N 252.361 3.689 30 20 CHED Cn1cc(/C=C2/CCc3ccccc3C2=O)c(C(F)F)n1 291283969 BAIJCQURMYEUML-FLIBITNWSA-N 288.297 3.570 30 20 CHED N#CCCCC(=O)N1CCC[C@H]1CCCc1ccccc1 291894580 KJKJJQSPAHWGCQ-QGZVFWFLSA-N 284.403 3.694 30 20 CHED C=CCN(CCC#N)Cc1ccccc1C(F)(F)F 292078547 DJARKCJYNWYXMQ-UHFFFAOYSA-N 268.282 3.607 30 20 CHED CN(Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C#N)C1 293374678 FXZYBORXHNSNDF-BXUZGUMPSA-N 293.208 3.573 30 20 CHED N#C[C@@]1(C(=O)Nc2ccccc2Cl)CC12CCCC2 294292586 VRDLPMIXBGJUEK-OAHLLOKOSA-N 274.751 3.753 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC1(F)F 294714864 USHOXPFGBDZIJZ-VHSXEESVSA-N 296.342 3.532 30 20 CHED C=CCC(CC=C)C(=O)NC1CCC(CSC)CC1 295619457 ZMNHKCGEYZSJQI-UHFFFAOYSA-N 281.465 3.793 30 20 CHED CCC(CC)(C(=O)N(C)[C@@H](C)C#N)c1ccc(Cl)cc1 297652773 BHHXVHYQJBZEHK-LBPRGKRZSA-N 292.810 3.768 30 20 CHED C=CCN(C(=O)c1ccc(C(C)C)nc1CC)C1CC1 297726336 IUIPVVQRYOPHCS-UHFFFAOYSA-N 272.392 3.558 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1onc(C2CCCCC2)c1C 297824662 QGCZRTZIKPXHBO-INIZCTEOSA-N 289.379 3.909 30 20 CHED C=CCC(C)(C)CNc1nc(Cl)c(C#N)s1 309846491 UJCROTNFGMYUKO-UHFFFAOYSA-N 255.774 3.682 30 20 CHED C[C@@H](C#N)OCCNc1ccccc1Cc1ccccc1 314223126 PEAZTICDVVSHKV-HNNXBMFYSA-N 280.371 3.618 30 20 CHED N#Cc1c[nH]c(-c2nc(-c3ccc4ccccc4c3)no2)c1 319037212 BOAAQADKRQXRCV-UHFFFAOYSA-N 286.294 3.757 30 20 CHED CC1CCC(C)(/N=C(/O)c2ncoc2C2CC2)CC1 328870018 PIGAEODKJOPIRA-UHFFFAOYSA-N 262.353 3.825 30 20 CHED Cc1ncc(/C(O)=N/CC[C@@H]2C[C@H]3CC[C@H]2C3)c(C2CC2)n1 329423191 HRQAQNCAORFTQP-AEGPPILISA-N 299.418 3.793 30 20 CHED C[C@H](/N=C(/O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccnc1 329785346 WVJSSESCYHMBPP-RZLSGREXSA-N 287.407 3.615 30 20 CHED CSC1(C(O)=Nc2ncn(C3CCCCC3)n2)CCC1 329909717 MRYBKHSHQKXZGV-UHFFFAOYSA-N 294.424 3.657 30 20 CHED Cc1coc2ccc(N=C(O)[C@@H]3CCO[C@H]3C)cc12 330059896 LSUZXBLDWCYSMT-CMPLNLGQSA-N 259.305 3.754 30 20 CHED Cc1cc(C)nc(N/C(O)=N/C2CCC3(CC2)CC3)c1 330061206 NXXTYFOZXBOCHZ-UHFFFAOYSA-N 273.380 3.747 30 20 CHED O/C(=N/C[C@@H]1CCC2(CCCCC2)O1)Nc1ccsc1 330162661 USSOEXUCNDWXJL-ZDUSSCGKSA-N 294.420 3.956 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](C(=N)O)c2ccccc21 332708456 ODJKLAOHOPYHHN-CXAGYDPISA-N 286.375 3.644 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 333899502 SIWOXERNXUVIOY-GLJUWKHASA-N 288.435 3.791 30 20 CHED Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)cc1O 334388256 QKHXYEIDPPHBJX-ZDUSSCGKSA-N 294.354 3.623 30 20 CHED N#CCc1ccc(NC(=O)C2CCCC2)c(Cl)c1 334533259 ZVXRUCIRSNXJKB-UHFFFAOYSA-N 262.740 3.535 30 20 CHED Cc1c(C(=O)Nc2sccc2C#N)ccn1C(C)C 334785498 JOGSBUJYNVWKKY-UHFFFAOYSA-N 273.361 3.563 30 20 CHED CC1=C(C(=O)N2CCC(CC#N)CC2)CCC(C)(C)C1 336202714 IOTYDPVTTFWJJG-UHFFFAOYSA-N 274.408 3.665 30 20 CHED C[C@H](Nc1nc2c(cc1C#N)CCCC2)c1ccncc1F 337809278 LQKOCMOECIOKNT-NSHDSACASA-N 296.349 3.539 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)Cc1ccoc1 338808307 ONLJOLQZNIFPCS-ZDUSSCGKSA-N 288.395 3.597 30 20 CHED N#Cc1cc(NC(=O)C[C@H]2C[C@@H]2c2ccccc2)ccc1F 340743792 NYIWFKWYKQVIOF-CZUORRHYSA-N 294.329 3.830 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CC=CC[C@@H]2C)s1 340868407 JORIUCNBGFBCEX-GXFFZTMASA-N 274.389 3.723 30 20 CHED N#CCc1ccc(C[S@@](=O)c2ccc(Cl)cc2)cc1 342114268 CFKVHCQOTZSMSW-LJQANCHMSA-N 289.787 3.714 30 20 CHED Cc1nsc(N[C@H]2CSc3ccccc32)c1C#N 342409132 PBTFUDIKYNZDMU-NSHDSACASA-N 273.386 3.582 30 20 CHED N#Cc1c(F)cccc1N1CCC=C(c2ccco2)C1 343223007 OYFGQMIKPBPYCI-UHFFFAOYSA-N 268.291 3.584 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)nn1-c1ccccc1 343943970 LIGNJSKNTJOJJC-UHFFFAOYSA-N 295.386 3.888 30 20 CHED C=CCn1cccc1C(=O)Nc1c(C)cc(OC)c(C)c1C 345860361 BMIDEFSEUZHPSH-UHFFFAOYSA-N 298.386 3.860 30 20 CHED C=CCC1(c2nc(-c3cccnc3OCC)no2)CCC1 346093503 NHOYXTSCKSFOHT-UHFFFAOYSA-N 285.347 3.528 30 20 CHED C=CC[C@@H]1N(C(=O)c2c(C)ccn2C)CCCC1(C)C 347452106 USKHBCIWMCUVKR-AWEZNQCLSA-N 274.408 3.540 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)s2)CC12CCC2 354899693 PGSONRNDSFFRKZ-GFCCVEGCSA-N 260.406 3.632 30 20 CHED C=CCOCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 355007018 YLWMEQAMITUDSN-MRXNPFEDSA-N 293.794 3.500 30 20 CHED C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1ccccn1 355684850 VNWCTBLWCYWKAU-OAHLLOKOSA-N 277.371 3.702 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@]1(C)C(C)C 356466546 XUBCIQUGROBYNC-DOTOQJQBSA-N 278.440 3.847 30 20 CHED N#Cc1ccc(NCC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] 357524752 CYTHDQNSIOMNSV-UHFFFAOYSA-N 299.252 3.611 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(OCC)c(OCC)c1 358305214 RXAYKAQMZFSGQO-CHWSQXEVSA-N 263.381 3.709 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCC12CCCCC2)OCC 366899115 AEFMVUINXWOTDR-HNNXBMFYSA-N 279.424 3.683 30 20 CHED C=CCCCCNC(=O)c1ccc(F)c(C(F)(F)F)c1 383730468 FZLUOWNZHMQSCA-UHFFFAOYSA-N 289.272 3.931 30 20 CHED C=C(C)CCNCc1cc(Cl)c2c(c1)OCCCO2 387471707 UAINGUGTPDUHFX-UHFFFAOYSA-N 281.783 3.557 30 20 CHED N#Cc1cnc2ccccc2c1N1CCC2(CC1)CC2(F)F 404849925 QEJKRWGNAKJUHY-UHFFFAOYSA-N 299.324 3.732 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1ccccc1CCC(F)(F)F 410566633 YZUWLULDOJQFCT-IINYFYTJSA-N 296.292 3.670 30 20 CHED CC(C)=CCSc1ccccc1C(=O)N(C)[C@@H](C)C#N 410883536 NTOHINAOQQNMIP-ZDUSSCGKSA-N 288.416 3.729 30 20 CHED CCCCCC(=O)Nc1ccc(Cl)cc1CC#N 410969764 QDZWZGJELHIGQH-UHFFFAOYSA-N 264.756 3.925 30 20 CHED COc1cccc([C@@H]2C[C@H]2CNC2CCC(C)(C#N)CC2)c1 414338396 KKZIRRSBYOKRQU-YQBZFSLMSA-N 298.430 3.861 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ncc(CC)s1 414543072 YRPWHGTYLRKIHQ-HNNXBMFYSA-N 286.444 3.983 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)cc1SC 417233148 NPXFYTYESANDPN-NSHDSACASA-N 264.394 3.803 30 20 CHED CCCCN(CC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419619323 YHWQRAMPBCQBNT-KRWDZBQOSA-N 299.418 3.767 30 20 CHED Cc1c(NC(=O)C[C@H](C)CC(C)C)ccc(C#N)c1C#N 421557602 LRBWDEZZJGEZAG-GFCCVEGCSA-N 283.375 3.749 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCCC[C@@H]1C 424728809 AWFLSJVXVCQXGS-FZMZJTMJSA-N 256.349 3.632 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(CN(C)C)c1 424845576 WUXDUMBDNWCENR-UHFFFAOYSA-N 294.826 3.942 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1CC1(C)C)c1ccccc1 426836499 LMFYIHVQBALONK-LSDHHAIUSA-N 257.377 3.509 30 20 CHED C=CCCCC(=O)N(CC1CCC1)CC(F)(F)F 427910699 CAZXYWDJZJWXHC-UHFFFAOYSA-N 263.303 3.534 30 20 CHED C=C(C)CNC(=O)Nc1ccc(C)c(C(F)(F)F)c1 429268265 AQYLEQSVAQFSAL-UHFFFAOYSA-N 272.270 3.711 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1cncc(-c2ccccc2)n1 435583170 FJIBDYNDFOMGBS-CRAIPNDOSA-N 295.386 3.537 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(CC)cc1O 436798453 TYNHPFBKBGGPGI-UHFFFAOYSA-N 295.382 3.783 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCC(CC)(CC)CC 437262509 KNTFUWUYUJUGMH-CABCVRRESA-N 253.430 3.774 30 20 CHED CC(C)[C@H](NC(=O)[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 439658102 KNUJGNPTSWWIOS-MFKMUULPSA-N 298.308 3.678 30 20 CHED CC(C)CC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CC1 441295834 LSKTVVBVECXVDD-AWEZNQCLSA-N 290.794 3.847 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1N[C@@H]1CC[C@H](C#N)C1 442856421 DLOCSPOCYZQXMY-YLFCFFPRSA-N 278.440 3.642 30 20 CHED Cc1cc(CNCCc2ccc(Cl)s2)ccc1C#N 443968222 NNQRJRKQNNAVOF-UHFFFAOYSA-N 290.819 3.914 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCCC3(CCCC3)C2)c1 445659415 FMNBFXBMJDYBJJ-UHFFFAOYSA-N 282.387 3.921 30 20 CHED C=CCCCC[C@H](C)NC1CCN(CC(=C)C)CC1 449125079 RSICQGVULMCYQF-INIZCTEOSA-N 264.457 3.751 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(CCO)cc1OC 449282407 HJDQRFVNDVYGMQ-AWEZNQCLSA-N 277.408 3.777 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](COCC)C2)CCCCC1 449858814 FQWXYTYTEBJQOT-MRXNPFEDSA-N 293.451 3.788 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)CC1(C#N)CCC1 450315598 XIYXIAYDHXPFEE-UHFFFAOYSA-N 281.403 3.710 30 20 CHED Cc1ccc(N2[C@@H](C)C[C@H](CC(F)(F)F)[C@H]2C)nc1C#N 450569641 OTDLLMOKWSVNOD-QJPTWQEYSA-N 297.324 3.817 30 20 CHED Cc1ccc2nc([C@H]3CCCN3CC3(C#N)CCC3)[nH]c2c1 451011789 BOJCXBLUKYAEAR-MRXNPFEDSA-N 294.402 3.702 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)C(C)(F)F)c1ccccc1 452455387 JYOUGKGUPAPAJZ-NWDGAFQWSA-N 267.319 3.506 30 20 CHED CC(C)C(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1 452924345 BSNUFCJQPSOVKY-UHFFFAOYSA-N 298.386 3.938 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(CC#N)cc1 454336931 AJUWVUOXNCEPKJ-CXAGYDPISA-N 285.391 3.843 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 455304744 CUSQZOGINTYIQH-UKRRQHHQSA-N 290.382 3.679 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(OCC)ccc1Cl 455784607 WJZDFJFWEXQJFT-JTQLQIEISA-N 282.771 3.825 30 20 CHED C[C@H]1CC[C@@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 456037735 OYHXJIVMXIAXBW-WMLDXEAASA-N 298.430 3.679 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 457588529 VCENQNOBTKYWCC-RRFJBIMHSA-N 291.439 3.536 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2C#N)C[C@H]1C 459834906 LZELMUMXWOUYGL-JHJVBQTASA-N 256.349 3.569 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCCC[C@H]1CC(C)C 460367988 GJPBNEAHWJOVFP-HNNXBMFYSA-N 276.428 3.568 30 20 CHED CC#CCCN1CC=C(c2ccc(OCC)cc2)CC1 462360743 RAEZWFCSLFRSAO-UHFFFAOYSA-N 269.388 3.588 30 20 CHED N#Cc1nnc2ccccc2c1N[C@H]1C[C@@H]1C1CCCCC1 462894784 IXGDYNGKIKGRNC-ZBFHGGJFSA-N 292.386 3.882 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 464404753 MTWIOIWDVXPFOC-DFAYQTQMSA-N 297.185 3.720 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 465290151 OMSRVWYISCWEAY-KGLIPLIRSA-N 274.408 3.617 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1sccc1C 466388256 JAFOYAARMSUYEV-GFCCVEGCSA-N 266.410 3.553 30 20 CHED CC[C@H]1CCC[C@H](NCCc2cccc(C#N)c2)C1 466425850 PSLQICZNRSQVHB-YOEHRIQHSA-N 256.393 3.659 30 20 CHED N#Cc1nnc2ccccc2c1Oc1cnc2ccccc2c1 466446261 PEEFAEGXJWIENV-UHFFFAOYSA-N 298.305 3.842 30 20 CHED C=CCC[C@H](O)CN(C)Cc1cccc2ccccc12 472744756 CYXCPIXDAWJJJV-KRWDZBQOSA-N 269.388 3.599 30 20 CHED C=C[C@H](C)NC(=O)N1CCC(c2cccc(Cl)c2)CC1 474669975 RSCAWRDHIAYOES-LBPRGKRZSA-N 292.810 3.804 30 20 CHED C=CCC[C@H](C)Nc1cccc(N(C)C(=O)NCC)c1 475513270 KJJFCMQAMWDIGR-ZDUSSCGKSA-N 275.396 3.619 30 20 CHED C=CCOCCCSc1ccc2ccccc2n1 475956276 JDVXCWBNSWMBEC-UHFFFAOYSA-N 259.374 3.920 30 20 CHED C[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 478967266 UYPKWJIPOYILAP-ZDUSSCGKSA-N 281.321 3.931 30 20 CHED C=CCOCC(=O)N1c2ccccc2[C@H](C)CC1(C)C 479313085 UFOGNDNZAUQCCD-CYBMUJFWSA-N 273.376 3.508 30 20 CHED COc1ccc2c(c1NCc1ccc(CC#N)cc1)CCC2 479447068 BXWQHEJVPZJHCU-UHFFFAOYSA-N 292.382 3.862 30 20 CHED C=CCOCCCSCCOc1ccc(F)cc1 479581924 BOKMGZZQHQCHIL-UHFFFAOYSA-N 270.369 3.530 30 20 CHED C[C@H](NC(=O)Cc1ccc(C#N)cc1)[C@@H](C)C1CCCCC1 480377051 MWUONJWVZGDWAI-CABCVRRESA-N 298.430 3.822 30 20 CHED N#Cc1ccc(NCCCc2ccccc2F)cc1 480787297 ONINEYDSEJAQJN-UHFFFAOYSA-N 254.308 3.742 30 20 CHED CC(C)(C#N)CCCCSc1nc2c([nH]1)CCC2 487894321 HAGMRGKMZWRHJY-UHFFFAOYSA-N 263.410 3.711 30 20 CHED C#C[C@@H](NCc1scnc1C)c1ccc(Cl)cc1 491631177 QCNHPJDFRHKONW-CYBMUJFWSA-N 276.792 3.569 30 20 CHED CC#CCCNC(=O)c1cc2ccccc2c2cccnc12 498577977 QUAPZLHNHDRZBG-UHFFFAOYSA-N 288.350 3.531 30 20 CHED CC[C@](C)(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 504216275 SFYAAGZNARSDTC-XPSVCEGCSA-N 285.391 3.729 30 20 CHED C=CCn1c(SCC[C@@H](C)F)nnc1-c1ccoc1C 505427588 NINHECPXMCPPIF-SNVBAGLBSA-N 295.383 3.873 30 20 CHED C=CCOc1ccc(CN2CCC[C@H]2C(C)C)cc1OC 507122211 SEZVFNPXGZKSGT-INIZCTEOSA-N 289.419 3.880 30 20 CHED C=C(C)CCc1noc(Cc2ccccc2SC)n1 508675740 BDBOFEHKTVVQHP-UHFFFAOYSA-N 274.389 3.891 30 20 CHED C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](C)C1 508849712 RSHXLUUNMFIEIK-AWEZNQCLSA-N 296.418 3.540 30 20 CHED C=C(C)CCN(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 509363921 CMFZAZLAPNQSOF-HKUYNNGSSA-N 286.463 3.938 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC(C)(C)c1cccs1 509428134 BKPHVQSYFIFWMW-UHFFFAOYSA-N 298.411 3.636 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H](C)CC1CCCC1 510788931 WGRVVKRSWMCJFR-LBPRGKRZSA-N 286.375 3.722 30 20 CHED Cc1ccc2oc(=N[C@@H](C)c3ccc(C#N)cc3)[nH]c2c1 513651460 ZZRGMFCYPKOMEX-LBPRGKRZSA-N 277.327 3.603 30 20 CHED C=CCCC(=O)Nc1ccccc1N1CCCCCC1 523951386 XQLAWUYXHIPZMD-UHFFFAOYSA-N 272.392 3.972 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1(C)CCCCC1 525832693 CZBNURYUUUBCAA-UHFFFAOYSA-N 286.375 3.866 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 528965726 YKBDAHYPRFAUMY-UHFFFAOYSA-N 281.359 3.950 30 20 CHED C=CCCN(C)Cc1ncc(Cl)cc1Br 529554634 ILBVWPBPNQUJGR-UHFFFAOYSA-N 289.604 3.505 30 20 CHED C=CCCCN(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 530950221 SUFPQGLKFCOLNX-MJGOQNOKSA-N 286.463 3.938 30 20 CHED Cc1cccc(OC[C@H](C)NCc2ccc(C#N)cc2F)c1 533448923 WMFGNBYQCCOEKF-AWEZNQCLSA-N 298.361 3.563 30 20 CHED CC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(C#N)c1 538267028 XEXRTMYSXDHPME-UHFFFAOYSA-N 298.729 3.667 30 20 CHED C=C(C)CN(CC)C(=O)CNc1cc(SC)ccc1C 538414726 RBNHTWWJMICDEI-UHFFFAOYSA-N 292.448 3.553 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCO[C@@H]1C(C)C)C1CC1 539119235 FUGFQLXJKVNCEK-YESZJQIVSA-N 265.441 3.772 30 20 CHED C=CCC[C@@H](NC[C@@H](C)Oc1ccccc1)C1CC1 540181838 JEFDHMUBENWIOW-RHSMWYFYSA-N 259.393 3.788 30 20 CHED C=CCSCCN[C@@H]1CCc2c(Cl)cccc21 541905395 WWPGIIUDKKTFNS-CQSZACIVSA-N 267.825 3.836 30 20 CHED C=C(C)CN1CCC(Nc2ncc(C(C)C)s2)CC1 544394633 FDUXHAYDPVEEAT-UHFFFAOYSA-N 279.453 3.719 30 20 CHED CC(C)(C)Cc1noc(/C=C\c2cccc(C#N)c2)n1 545746251 GJIRECYOVHBIBJ-FPLPWBNLSA-N 267.332 3.700 30 20 CHED CC[C@@H]1Cc2ccccc2CN1CCC(C)(C)C#N 546638966 CARCXBHLZOLQSY-MRXNPFEDSA-N 256.393 3.763 30 20 CHED Cc1cccc(N(C)C(=O)Nc2cccc(C#N)c2)c1C 551099324 IQFHFVYNFBEMOF-UHFFFAOYSA-N 279.343 3.843 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 551310794 JFYGHHLUAQNWAB-FQUUOJAGSA-N 274.795 3.868 30 20 CHED C=C[C@@H]1CCCCN1c1nccc(C)c1Br 553567930 RORVKSLGCFZRIK-LLVKDONJSA-N 281.197 3.697 30 20 CHED N#Cc1cccc(NCc2ccc(OC3CCCC3)cc2)n1 555537894 MOMBWSIAYHVWOE-UHFFFAOYSA-N 293.370 3.887 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ncc(Cl)cc1Cl 557663104 QQVUWLDCKFEQKP-SKDRFNHKSA-N 287.190 3.782 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H](C)CC(F)F)cc1 563359152 HQUDBQOOTOWEQI-FZMZJTMJSA-N 294.345 3.563 30 20 CHED CC1=C(C)C[C@H](C(=O)N2CCc3c(C#N)cccc32)CC1 565004870 PLFFJVLANNKGJL-CQSZACIVSA-N 280.371 3.584 30 20 CHED C=CC1CCN(Cc2ccc(SC)s2)CC1 567091463 YJNLDCIESNZGEI-UHFFFAOYSA-N 253.436 3.868 30 20 CHED C=CCCCC(=O)NC[C@@H]1CCCCC(F)(F)C1 569369633 OQJDNUJXKAERFP-GFCCVEGCSA-N 259.340 3.675 30 20 CHED Cc1cccc(C2(C(=O)N3CCC(CCC#N)CC3)CC2)c1 570096132 HWGFJEJIXGTJLZ-UHFFFAOYSA-N 296.414 3.569 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H](F)C1 570566470 GTRFFJQLNODRFX-CVEARBPZSA-N 290.382 3.665 30 20 CHED C=CCn1c(C2CCC2)nnc1N(CC)C1CCCCC1 570857386 MVJIBNQWFFQWJF-UHFFFAOYSA-N 288.439 3.891 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)C1 574699521 UGRQEXZWACHEQA-UHFFFAOYSA-N 296.370 3.548 30 20 CHED C=C(C)CCNc1cc(OC)ccc1OC(F)F 576429666 BDLFPZWCVMQERM-UHFFFAOYSA-N 257.280 3.675 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC=C(c2ccncc2)C1 576496823 AZHTYXFMDLBIHL-HNNXBMFYSA-N 299.418 3.625 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N1CCc2c(C#N)cccc21 578876763 SCZREDWTTQCUET-KBPBESRZSA-N 282.387 3.664 30 20 CHED N#CCC[C@H](C#N)CN[C@@H]1C[C@H]1c1cccc2ccccc12 579070420 MCCMFSMKALJCBP-MDASCCDHSA-N 289.382 3.729 30 20 CHED CCN(Cc1ccccc1)C(=O)CCCCCC#N 588253995 BNWSEPLEKNTPNY-UHFFFAOYSA-N 258.365 3.509 30 20 CHED Cc1ccc(/C=C\C(=O)c2cn(C)nc2C)cc1Cl 588596082 JOHLBSNIYJYORR-SREVYHEPSA-N 274.751 3.586 30 20 CHED CC[C@@H](C(=O)N(C)c1ccc(C#N)cc1F)c1ccccc1 589763701 QRGSGNMBUFYLNU-OAHLLOKOSA-N 296.345 3.854 30 20 CHED C[C@@]1(Cc2ccccc2F)CCCN1CC1(C#N)CC1 592143770 MZOHKELLDVNATB-INIZCTEOSA-N 272.367 3.526 30 20 CHED CC(C)(O)Cc1ccc(-c2ccc(C#N)s2)cc1 592989016 ONWDTBWXSQOFSK-UHFFFAOYSA-N 257.358 3.600 30 20 CHED CC[C@H](C#N)C(=O)Nc1sc(-c2ccccc2)nc1C 593595475 GTODDOJKWKGAQA-LLVKDONJSA-N 285.372 3.607 30 20 CHED C=C1CCN(C(=O)c2oc3c(F)cccc3c2C)CC1 594848141 UROMHZFBANLZSE-UHFFFAOYSA-N 273.307 3.673 30 20 CHED C[C@H](CN(C)[C@@H](C#N)c1ccccc1)c1ccccc1 595304744 GFKHZHZPPHSAOU-QAPCUYQASA-N 264.372 3.987 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 597077130 ZEKLNGOWUCVRGG-KSZLIROESA-N 298.430 3.700 30 20 CHED Cc1cc(F)c(CN2CCC[C@@H](CC#N)C2)c(Cl)c1 597177592 PYBXYPBQAIVFPF-LBPRGKRZSA-N 280.774 3.913 30 20 CHED C[C@@H]1Cc2ccccc2CN1C(=O)CC1(C#N)CCCCC1 597295882 FIVKZOUXVKHKIF-OAHLLOKOSA-N 296.414 3.824 30 20 CHED C[C@@H]1CC[C@H](NC(=O)CC2(C#N)CCCCC2)C[C@H]1C 597500600 MGDPRUBBMZZVLD-KFWWJZLASA-N 276.424 3.791 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@](C)(C#N)CC(C)C)c1 599233266 PUUKZLDMIRIIMT-LZLYRXPVSA-N 284.403 3.543 30 20 CHED CC(C)[C@@H]1C[C@H](NC(=O)C2(C#N)CCC2)c2ccccc21 600416409 WWUOILUWYPEVEF-HOTGVXAUSA-N 282.387 3.681 30 20 CHED C[C@@H](CCC#N)CNCCc1nc(C(C)(C)C)cs1 602539100 CIKVNQZTWQUURD-LBPRGKRZSA-N 279.453 3.513 30 20 CHED CCC1(c2ccccc2)CN(C[C@H](C)CCC#N)C1 602687564 NOJZYXUOOJBNAW-OAHLLOKOSA-N 256.393 3.590 30 20 CHED C=CC[C@H](Cc1ccccc1)NC[C@@H](C)CCC#N 602693002 KYHSPGYUZJPMNJ-DOTOQJQBSA-N 256.393 3.703 30 20 CHED C=CC[C@@H](C)NC(=O)NCC(C)(C)Cc1ccccc1 605018762 WFASKKNKMIDWTK-CQSZACIVSA-N 274.408 3.519 30 20 CHED Cc1ccccc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 610316988 NCDMWLUOWXCIKY-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED CC[C@]1(C)CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 610407165 RAMOZPQPEZHONV-RDTXWAMCSA-N 299.418 3.841 30 20 CHED N#Cc1ccccc1OCC#Cc1cccc(Cl)c1 610946230 REUHMZFLUOYUSH-UHFFFAOYSA-N 267.715 3.642 30 20 CHED CC(C)Oc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1 610982777 HEDRAIBCFHNJPO-UHFFFAOYSA-N 294.354 3.622 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCC[C@@](C)(C#N)C1 612135110 OJPRNKCORZSXPS-CPUCHLNUSA-N 291.439 3.536 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cnc(C3CCCC3)s2)C1 612406825 VBQCOWQZCBJCSY-INIZCTEOSA-N 289.448 3.926 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(SC)oc1C 613276404 ZQNRLHUCTZPPSQ-JTQLQIEISA-N 267.394 3.785 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC(CC)CC1 617193875 VIUMKXJJGTVZMA-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 617789615 OIDBBNBBDDERAX-AWEZNQCLSA-N 280.371 3.663 30 20 CHED C[C@H]1CC(N[C@@H]2CCc3cc(C#N)ccc32)C[C@H](C)C1 618801829 CKHCKPBWEIIVFL-SNUQEOBHSA-N 268.404 3.960 30 20 CHED N#Cc1ccc(CN2CCCCc3sccc32)cc1 619553888 LPSQTMMHMSCILQ-UHFFFAOYSA-N 268.385 3.963 30 20 CHED COc1cc(CN(Cc2ccc(C)o2)C2CC2)ccc1C#N 619674196 NWXKIQCKJVUSMK-UHFFFAOYSA-N 296.370 3.633 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccsc1 619758483 XDIXXVCHJLEGFQ-VIFPVBQESA-N 290.775 3.764 30 20 CHED C=CCOc1cccc(NC(=O)NC2CC3(CCC3)C2)c1 650007261 IXUZZUMZGAHVBL-UHFFFAOYSA-N 286.375 3.706 30 20 CHED C=CC[C@H]1CC[C@@H](NCc2noc(-c3cccs3)n2)C1 651822609 DFKLQGGCLWHMRS-NWDGAFQWSA-N 289.404 3.633 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)COC2 666508924 WBWUEYCKUIMUFH-UHFFFAOYSA-N 274.364 3.583 30 20 CHED CC#CCCNC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 681538821 WKPLLGACTOLQPN-HNNXBMFYSA-N 290.407 3.874 30 20 CHED CC(C)c1nc(CNc2ccc(OCC#N)cc2)cs1 696464998 UVIXIXOHAKOOML-UHFFFAOYSA-N 287.388 3.781 30 20 CHED CCCCCCCNc1nc(Cl)c(C(=O)O)s1 703748025 FHLQXCYGKKDDFJ-UHFFFAOYSA-N 276.789 3.877 30 20 CHED O=C(C=NOCc1ccc(Cl)s1)Nc1ccccc1 727412184 ZIWUTGLTAYKLJJ-UHFFFAOYSA-N 294.763 3.543 30 20 CHED C=CCCOC(=O)CCC(=O)c1ccc(CCC)cc1 729072769 YSFQLYMPSVDMAF-UHFFFAOYSA-N 274.360 3.721 30 20 CHED C#CCOc1ccccc1OC(=O)/C=C(/C)c1ccccc1 730510093 YVBLQWJUGFRORI-PFONDFGASA-N 292.334 3.708 30 20 CHED CCc1ccc(/C=C/C(=O)c2cccc(O)c2)s1 731156552 HAOWUHJIVRTEQT-CMDGGOBGSA-N 258.342 3.912 30 20 CHED CC(C)n1cc(/C=C2/CCOc3ccccc3C2=O)cn1 732714074 KUSXRXVCPCEEPR-ZROIWOOFSA-N 282.343 3.513 30 20 CHED C=C(C)CNC(=S)N(CCC)CCc1cccc(F)c1 733211169 ABYPWZUAMLLNFJ-UHFFFAOYSA-N 294.439 3.531 30 20 CHED C#Cc1ccc(C(=O)O[C@H](C)c2c(C)cc(C)cc2C)nc1 733487229 MLXMOORHBBUNDS-OAHLLOKOSA-N 293.366 3.906 30 20 CHED Cc1cccc([C@H](C)/N=C\c2ccc(O)c(O)c2O)c1C 734366499 UNWCWAGIVOANJD-PGQWVYTBSA-N 285.343 3.600 30 20 CHED C=C(Cl)CNC(=O)N1CCC(C2CCCCC2)CC1 736397963 OPXQQHIMIDOLJI-UHFFFAOYSA-N 284.831 3.741 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)c1ccccc1OC(C)C 736398846 GUFSEEPVNJGBTO-LBPRGKRZSA-N 296.798 3.587 30 20 CHED COc1cccc(/C=N\[C@H](C)Cc2ccc(C)s2)c1O 737440052 AQMWRCPHTZRQQY-VBYYMIJXSA-N 289.400 3.821 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccccc2C#N)C1 740797144 HQLGDUSVJZUPNG-JGYUQMGLSA-N 282.387 3.656 30 20 CHED Fc1cccc(F)c1NN=Cc1ccc2ccccc2n1 741460135 ITUGHLLKMVXPTP-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C#CCN(CCC(C)(C)C#N)[C@H]1CCc2ccccc21 741754279 MXQZXJOBWGGPMD-KRWDZBQOSA-N 266.388 3.549 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(Cl)o1 742375160 JUPKWAJMTVJWLI-UHFFFAOYSA-N 279.698 3.696 30 20 CHED Cc1ccc(/C=C2\CCc3c(O)cccc3C2=O)s1 742434632 LEMUVSPHLXAHPG-PKNBQFBNSA-N 270.353 3.975 30 20 CHED C#CCCCNC(=O)c1sccc1-c1ccc(F)cc1 742790303 APGMVTSJJUUXFR-UHFFFAOYSA-N 287.359 3.697 30 20 CHED C=C(C)CCOC(=O)c1oc2ccccc2c1COC 744303966 HYUACQMOEUJXMC-UHFFFAOYSA-N 274.316 3.702 30 20 CHED CCCCCCCC(=O)NCC1(CC)CCOCC1 744802057 JRQCEEAQKKDHDY-UHFFFAOYSA-N 269.429 3.670 30 20 CHED Cc1ccc(F)c(NC(=S)NN=Cc2ccsc2)c1 745006238 QXEXGTSROLTHFI-UHFFFAOYSA-N 293.392 3.516 30 20 CHED Cc1cccc(NC(=O)NCc2ccc(C#N)cc2)c1Cl 746035451 IAFBTBARKUDBFR-UHFFFAOYSA-N 299.761 3.842 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCCCCC(C)C 747908025 UXOUQMSZUCPLIN-AWEZNQCLSA-N 252.402 3.601 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(OC)c(C)c2)c1C 750909770 NUBPMTNMWFFUGM-CLFYSBASSA-N 298.386 3.733 30 20 CHED Fc1ccc(NN=Cc2ccccc2C2CC2)nc1 751133535 PGBLGQAXSRTRNV-UHFFFAOYSA-N 255.296 3.544 30 20 CHED O=C(/C=C\c1ccsc1)c1cc(F)ccc1[N+](=O)[O-] 752875691 RYUIGQRKVYAXGU-RJRFIUFISA-N 277.276 3.692 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C1/CC[C@H](C)C1 753582985 VYTHYOYQQOEPGM-SUCHYCSPSA-N 269.388 3.948 30 20 CHED Cc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc1-n1cccc1 753616542 OQLPOFSMVFBZQP-CQSZACIVSA-N 296.370 3.881 30 20 CHED CCc1nn(C)c(CC)c1C=NNc1ccc(Cl)cc1 755461715 KXKPNDKYONLTEW-UHFFFAOYSA-N 290.798 3.644 30 20 CHED CCCCCC=NNc1nc2cc(F)c(F)cc2[nH]1 755631343 LRSZYVMLJPMFHQ-UHFFFAOYSA-N 266.295 3.819 30 20 CHED Cc1ccnc(NN=C[C@@H]2CCc3ccccc32)c1 755770669 NYZISYLQANILKJ-AWEZNQCLSA-N 251.333 3.518 30 20 CHED Cc1csc(C=NOc2ccccc2C(F)(F)F)n1 755817379 XQZZUQJRALBABJ-UHFFFAOYSA-N 286.278 3.883 30 20 CHED CC[C@@H](C)C(C)=NNc1nc(C(F)(F)F)cs1 755904509 ONJUSAUZFKGWLE-ZCFIWIBFSA-N 265.304 3.996 30 20 CHED C#CC[C@H](NCc1ccc(F)cc1)c1ccccc1 756996221 PBVKYFWWOGMLAU-KRWDZBQOSA-N 253.320 3.680 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)c1ccsc1)c1ccccc1 757577356 GTTRJNMROGKEAE-BBRMVZONSA-N 283.396 3.732 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1F)c1ccncc1 758018353 UHCAXTVBBYLYRB-HSFFGMMNSA-N 271.266 3.812 30 20 CHED C#CCCCCNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 758631859 QDBSYOQJOONOFF-GJZGRUSLSA-N 263.425 3.759 30 20 CHED FC(F)CON=Cc1cccc(OC2CCCC2)c1 758912831 YRSXBMDNHXHLCD-UHFFFAOYSA-N 269.291 3.624 30 20 CHED C=C[C@H](CC(=O)OCC1(CC#N)CC1)c1ccccc1 759388731 WXFSQEXGUUVWFY-CQSZACIVSA-N 269.344 3.583 30 20 CHED C=C(Cl)COC(=O)c1cc(C)sc1Br 761295012 PFBPAQNYAJJTOC-UHFFFAOYSA-N 295.585 3.728 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](C)c1ccc(Cl)s1 761411492 SUCVMAYLIFOEEI-VIFPVBQESA-N 286.780 3.584 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1ccccc1C#N 761490462 DSFPMFSFVURHNJ-LBPRGKRZSA-N 259.349 3.674 30 20 CHED C[C@H](C=NNC1CCCC1)c1cccc(Cl)c1 763362687 JTHTVOJXRLOQSY-LLVKDONJSA-N 250.773 3.962 30 20 CHED C=C(CC)COC(=O)c1ccc2nc(C)sc2c1 763500253 SCYJPWYEFKNWJB-UHFFFAOYSA-N 261.346 3.728 30 20 CHED FC(F)(F)CON=Cc1ccccc1OC1CCCC1 764838995 GECFBHZNBBHKIQ-UHFFFAOYSA-N 287.281 3.921 30 20 CHED CC(C)O[C@H]1CC(=NNc2ccccc2F)C1(C)C 764906064 XZTOKYIEPGBGRX-AWEZNQCLSA-N 264.344 3.817 30 20 CHED C=CCCCCCN(C)Cn1ccc(-c2nccs2)n1 766096649 YCXGHKAMPWYTRK-UHFFFAOYSA-N 290.436 3.642 30 20 CHED CCO[C@@H]1CCCC1=NNc1nc(C(F)(F)F)cs1 766456347 ZQRANWHFCPWADX-MRVPVSSYSA-N 293.314 3.519 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)c2cccc(F)c2F)c1 766670104 BDEIJMPTCMWXRW-DWOMLUCJSA-N 291.297 3.859 30 20 CHED CC(=NNc1nccc2sccc12)c1cncc(C)c1 767370605 JWDKVBFVVSGNKE-UHFFFAOYSA-N 282.372 3.836 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cncc(F)c1 769826273 DBMQGPCSFAYKJE-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C[C@H](C#N)COC(=O)c1cccc(Oc2ccccc2)c1 770949638 LRIAXRPLTUZBGF-CYBMUJFWSA-N 281.311 3.795 30 20 CHED Cc1cccc(C(=O)/C=C/c2cccc(C(=O)O)c2)c1C 774140862 VWRVZCLRZQURNK-MDZDMXLPSA-N 280.323 3.898 30 20 CHED C=C(Cl)CN[C@H](c1ccc2nc(O)oc2c1)C(C)C 774449268 NJILHZPCOSRZMF-ZDUSSCGKSA-N 280.755 3.573 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1CCC=CO1 774837174 BEMPQFMAFPJBPF-GOSISDBHSA-N 284.403 3.709 30 20 CHED CCOc1cccc([C@@H]2C[C@H]2/N=C\c2ccccc2O)c1 775631000 OSGQDBWMVGOPPW-XXJCARGKSA-N 281.355 3.766 30 20 CHED CC[C@H](C)n1nc(Nc2snc(Cl)c2C#N)cc1C 775701423 VJIQFYMBFXKTCO-ZETCQYMHSA-N 295.799 3.888 30 20 CHED Cc1cc(NN=C2CC=C(c3ccc(F)cc3)CC2)ncn1 776769518 GMNZJUAWTSMIGT-UHFFFAOYSA-N 296.349 3.960 30 20 CHED C[C@H](C=Nn1ccccc1=O)Cc1ccc(C(C)(C)C)cc1 776787034 LVELCLXAIJMROR-HNNXBMFYSA-N 296.414 3.859 30 20 CHED CCCCCCCCCCN1CC[C@H](n2cncn2)C1 776875856 AVSITVHRSAKXLP-INIZCTEOSA-N 278.444 3.666 30 20 CHED C=CCSc1ccccc1C(=O)OCC1(CC#N)CC1 777325305 SNFNWOQVOOTMBR-UHFFFAOYSA-N 287.384 3.815 30 20 CHED C=C(Cl)CSc1nc(C(F)(F)F)ccc1C#N 777570929 ZTPJSEHSVBRGQR-UHFFFAOYSA-N 278.686 3.817 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@@H]1C=CCCC1 777693649 BZPNJBFDXNXLMA-CYBMUJFWSA-N 287.334 3.523 30 20 CHED COc1ccc(NN=CC[C@H](C)c2ccccc2)nc1 780268439 JKAYHLODLCDMSB-ZDUSSCGKSA-N 269.348 3.682 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H]2CCCC[C@H]2C)o1 783838314 WONIXEKFSUFTHW-NEPJUHHUSA-N 274.368 3.894 30 20 CHED C=CCCCCCOC(=O)c1ccccc1C(C)=O 784100968 MELNFWWMBACXAW-UHFFFAOYSA-N 260.333 3.792 30 20 CHED CCC(CC)n1ccc(C(=O)OCCCC(C)(C)C#N)n1 784258277 DZNVBYCMNQCYOG-UHFFFAOYSA-N 291.395 3.731 30 20 CHED CCC(CC)[C@H](C)C(=O)OCCCC(C)(C)C#N 784426334 IOFDSHXNMBJPDX-LBPRGKRZSA-N 253.386 3.932 30 20 CHED COc1cccc2cc(C=NNC3CCCCC3)oc12 786043209 KYPPXBOIOMMDNF-UHFFFAOYSA-N 272.348 3.698 30 20 CHED CC(=NNCc1ccccc1)c1csc(Cl)c1 787153472 UTLCNAXIFWDUHO-UHFFFAOYSA-N 264.781 3.915 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](c1ccccc1C)C(C)(C)C 788037878 DKQNUSATWSUYOG-GOEBONIOSA-N 286.419 3.745 30 20 CHED C(=NNCCCOc1ccccc1)c1cc2ccccc2[nH]1 788427308 IWSMFJRAULXHPG-UHFFFAOYSA-N 293.370 3.561 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1 789830690 AZUGHRXKOOEUFN-CYBMUJFWSA-N 280.327 3.622 30 20 CHED CCC(=O)c1ccc(OC(=O)c2ccc(F)c(C#N)c2)cc1 790099655 XGEUSINUKBFVDL-UHFFFAOYSA-N 297.285 3.509 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cn(C(C)(C)C)nn2)c1 790213681 DEMOUYPPWSLRED-HJWRWDBZSA-N 283.375 3.546 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)Cc1cnccn1 793524708 HKYGMTFCCOZDMF-CABCVRRESA-N 261.413 3.522 30 20 CHED COC(=O)C[C@@H]1CCC(=NN[C@H]2CCCCC2(C)C)[C@@H]1C 794538618 UBWZMOWXEAAWCB-IPYPFGDCSA-N 294.439 3.510 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1cc2ccccc2s1 794716082 XNPDIIRXDPUAPC-FPLPWBNLSA-N 282.368 3.839 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccnc(F)c2)cc1 794718692 DNMOEGUUCZISDO-BQYQJAHWSA-N 255.292 3.679 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1cccc(F)n1 795007205 UNKKZPCJJRBSEH-UHFFFAOYSA-N 271.339 3.950 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccccn1 796784438 UXBZBFSUTGWGBN-JONQDZQNSA-N 282.387 3.864 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1cc(C)sc1C 797109348 LVYXUMPKWDFZCN-PLNGDYQASA-N 290.340 3.641 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1Cl)C(C)C 798555634 MEWQDZNQWYKUNU-WFASDCNBSA-N 292.810 3.700 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(C#N)c1)CC2 799333596 UXKRKANHSHXZDT-SFHVURJKSA-N 290.366 3.592 30 20 CHED COc1cc(/C=C2/Cc3ccc(F)cc3C2=O)ccc1C#N 799497379 PGEYLZPWGSGXCO-NSIKDUERSA-N 293.297 3.528 30 20 CHED C#CCCCCNC(=O)Nc1cc(C)c(Cl)c(C)c1 799519382 HREWTDKCNPQPNG-UHFFFAOYSA-N 278.783 3.882 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC(CC(C)C)CC1 800786371 BTTJADLCQJOGJW-UHFFFAOYSA-N 290.455 3.850 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1cn(C)c(C)n1 800816463 LILLUNAFBLMHBR-UHFFFAOYSA-N 297.189 3.871 30 20 CHED C=C(Cl)COC(=O)Cc1ccc2ccccc2c1 803405049 OTUUDURTNSNLML-UHFFFAOYSA-N 260.720 3.678 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)c1cc(C#N)ccc1Cl 803833072 NPOHDJHQEMWXTB-ZDUSSCGKSA-N 277.751 3.947 30 20 CHED C[C@@H](Cc1ccccc1Cl)Nc1cc(C#N)ccn1 804355166 VBPFGCKBZLYQBW-NSHDSACASA-N 271.751 3.650 30 20 CHED CC[C@@H]1CCC1=NNC(=S)Nc1cccc(Cl)c1 807951454 VFUJNFJLXXYPFL-SECBINFHSA-N 281.812 3.802 30 20 CHED CC(=NN[C@H]1CCSC1)[C@@H](C)c1ccc(Cl)cc1 807998759 ANXUFXUUFAJWJV-YGRLFVJLSA-N 282.840 3.915 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(Oc2cccnc2)cc1 808896564 HWGNVNDXWKDAET-UHFFFAOYSA-N 297.358 3.914 30 20 CHED C#Cc1ccc(-c2nc(-c3ccc4ccccc4c3)no2)cn1 809534331 GIAOVJJECQTJRQ-UHFFFAOYSA-N 297.317 3.933 30 20 CHED CC(C)CN(C/C=C/c1ccc(F)c(F)c1)CCC#N 809537733 DDBGPZCOEMXTHI-HWKANZROSA-N 278.346 3.850 30 20 CHED CON=CC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 809691542 JJMWHXIJEYGVRH-CYBMUJFWSA-N 296.798 3.566 30 20 CHED C#C[C@H](N[C@H]1CCC[C@@H](c2cccnc2)C1)C(C)(C)C 809782192 JXHIOTILTFDYAU-PVAVHDDUSA-N 270.420 3.745 30 20 CHED CC(C)[C@@H]1CCCCC1=NNC[C@@H]1CCSC1 811658070 GLHIHAGMIHQBMG-STQMWFEESA-N 254.443 3.531 30 20 CHED CC(=NOC/C=C\Cl)c1cnn(-c2ccccc2)c1C 811669053 LWKBPHBBIUAQLJ-WPFQCSIDSA-N 289.766 3.674 30 20 CHED N#Cc1cccc(Cl)c1NCCc1ccccc1O 811773971 FIABYHCBPPUALX-UHFFFAOYSA-N 272.735 3.572 30 20 CHED CCn1cc(C=NNc2c(C)cccc2C(C)C)cn1 812233539 ZAGAIOMAPZRJEW-UHFFFAOYSA-N 270.380 3.781 30 20 CHED CC(C)OCCON=C1CC[C@@H]2CCCC[C@H]2C1 812240681 XOJOYSNFZRERSP-KBPBESRZSA-N 253.386 3.774 30 20 CHED Cc1nc(Oc2cccc(C=O)c2)c(Cl)cc1C#N 812449852 WXCBYZMOXRDAGF-UHFFFAOYSA-N 272.691 3.520 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3ncc(C)s3)c2c1 813577543 WJKJTGNVKUZSAL-UHFFFAOYSA-N 295.367 3.759 30 20 CHED C1=C([C@@H]2CCCCC2=NNc2cncnc2)CCCC1 814926793 KCZKHIXBJWWVRY-HNNXBMFYSA-N 270.380 3.935 30 20 CHED C=CCC(F)(F)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 816146598 IIRQDHRKEKQFKE-UHFFFAOYSA-N 298.377 3.813 30 20 CHED CC(Cc1ccc(F)cc1Cl)=NOC1CCOCC1 817327104 AIGFLMURBVHCEJ-UHFFFAOYSA-N 285.746 3.593 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccnc1Cl 822525598 JKNXEPOSVPQUQF-LBPRGKRZSA-N 285.778 3.800 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(-n2ccnc2C)nc1 823676653 HAINIJVXBIRIBD-OAHLLOKOSA-N 298.434 3.800 30 20 CHED CCCCCCCCCN(C)C(=O)CC1CCNCC1 827533348 FBWPEAPWSKBZNH-UHFFFAOYSA-N 282.472 3.585 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 834904147 VPPYRXIDCSQNTI-OAHLLOKOSA-N 299.418 3.557 30 20 CHED C[C@H]1CC[C@@H](C)C(=NNc2cc(C#N)cc(Cl)n2)C1 834967490 HAWQGAUSDHCXIG-VHSXEESVSA-N 276.771 3.831 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1csc(C)n1 835021409 WDKUYGPWIJHBKF-AWEZNQCLSA-N 289.379 3.592 30 20 CHED C#CC[C@@H](OC(=O)c1cc2ccncc2s1)C(C)C 835200479 KPKJYMLNXSSHRY-GFCCVEGCSA-N 273.357 3.501 30 20 CHED CCCOc1cc(C)ccc1NC(=O)C#CC(C)(C)C 837352849 PLOLYOSFNFFSFI-UHFFFAOYSA-N 273.376 3.772 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CSc2ccc(F)cc2)C1 839045163 YAWSMPXZVLCZDJ-YPMHNXCESA-N 293.363 3.543 30 20 CHED CCc1ccsc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839048873 PFBZEZNHHSXNSV-ZYHUDNBSSA-N 263.362 3.550 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(F)ccc2Cl)C1 839062879 OFJFIKZUZUIICW-ONGXEEELSA-N 281.714 3.718 30 20 CHED C=C(C)CN(C)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 840040556 GBCYCVMAGIITPO-KRWDZBQOSA-N 298.430 3.596 30 20 CHED N#CC1(CCOC(=O)c2cc(F)ccc2F)CCCCC1 840056022 SLVPAQIZPAIYGM-UHFFFAOYSA-N 293.313 3.986 30 20 CHED CC1(CCCCSc2ccc(C#N)cc2)OCCO1 840191864 HHNXGKHIIRKULJ-UHFFFAOYSA-N 277.389 3.584 30 20 CHED CO[C@@H](C=NNc1ccc2ccccc2n1)CC(C)C 841603260 AWUVPABJDIAXQM-CQSZACIVSA-N 271.364 3.694 30 20 CHED CCCNN=C1CC[C@@H](c2cccc(Cl)c2)C1 841618059 OWTVQMHQKDNOIU-GFCCVEGCSA-N 250.773 3.963 30 20 CHED CCCCCCCCNC(=O)N(CCC)C1CCNCC1 841864508 NMMSVSOPFPGMCP-UHFFFAOYSA-N 297.487 3.521 30 20 CHED Cc1cc(S[C@H](C)OC(=O)OC(C)C)ccc1C#N 842632012 BOZCXRZJLHOEFT-LLVKDONJSA-N 279.361 3.866 30 20 CHED CC[C@H](/N=C\c1cc(Cl)ccc1O)C(=O)OC(C)(C)C 843265520 WRNZHEABALTJND-CHROMADKSA-N 297.782 3.585 30 20 CHED C#CC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 843706623 WNWHHUDTTNDFSO-UHFFFAOYSA-N 295.426 3.832 30 20 CHED C[C@@H]1Cc2cc(-c3ccc(CC#N)s3)ccc2O1 844226701 JJCMQYNPVXMSQC-SNVBAGLBSA-N 255.342 3.805 30 20 CHED Cc1cccc(-c2cc3c(c([C@H](C)O)c2)OCC3)c1C#N 844231326 PXOFNINGPBDECY-LBPRGKRZSA-N 279.339 3.522 30 20 CHED COc1ccc(-c2ccc(C)nc2)cc1C1(C#N)CC1 844234194 YLNBGEHGFIYUIW-UHFFFAOYSA-N 264.328 3.621 30 20 CHED C=CC[C@H](OC(=O)C[C@@H](C)n1ccnc1)c1ccccc1 845520521 ALEFBUZNDRQQAV-ZBFHGGJFSA-N 284.359 3.695 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ccc(CC(=O)O)cc1 848415493 MSFNSBYWUSFQNJ-LBPRGKRZSA-N 276.380 3.928 30 20 CHED C=CCCSCCNC(=S)Nc1ccc(C)c(F)c1 849278036 PPXUQHPWNPWXGF-UHFFFAOYSA-N 298.452 3.730 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@@H]1CCC[C@H](C#N)C1 851083424 JDUNCXOJUCFJIV-SCRDCRAPSA-N 255.333 3.530 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)CCc1cccnc1 851143909 OLNPEXCSSRXZNO-HZPDHXFCSA-N 273.376 3.692 30 20 CHED C=CC(C)(C)CCOC(=O)/C=C\c1cnccc1C 851299938 GEEJUKOZNLLEBK-SREVYHEPSA-N 259.349 3.549 30 20 CHED C=CC(C)(C)CCOC(=O)CCc1nc(C)cs1 851300363 RSPKHSHMGOKIPI-UHFFFAOYSA-N 267.394 3.530 30 20 CHED CCCn1nccc1/C=C1\COc2cc(C)cc(C)c2C1=O 853005775 VLYXHNOBRXDMDS-GXDHUFHOSA-N 296.370 3.569 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)[C@@H]1c1cccnc1 854038426 AHCAPIPRDAYSLH-QGZVFWFLSA-N 295.361 3.675 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C\c2cccs2)C1 855437673 ZOSGLIJJBHEPHI-LJTDUEICSA-N 261.390 3.576 30 20 CHED C#CCCOC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 858892054 KLCQRPFLVPZODU-LBPRGKRZSA-N 271.316 3.586 30 20 CHED CC(C)(C)OC(=O)N[C@@H]1CCC(=NOC2CCCCC2)C1 863108202 IPIRNVWAEMGTBZ-GFCCVEGCSA-N 296.411 3.769 30 20 CHED C[C@@H]1CSC(S[C@@H](C#N)CCc2ccccc2)=N1 865361963 HITJWRVTDNVWAT-DGCLKSJQSA-N 276.430 3.736 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(Cl)nc2)no1 867164627 GPRFGMIWTSXODB-UHFFFAOYSA-N 277.755 3.563 30 20 CHED 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298.415 3.622 30 20 CHED CC(C)(C)c1ccc(NN=CC2CCCCC2)nn1 1116086999 ADAQLHJCTAKNAB-UHFFFAOYSA-N 260.385 3.752 30 20 CHED C=CCCC[C@H](C)NC(=O)CSCc1csc(C)n1 1116474460 DCYDJJRAYSXCEW-NSHDSACASA-N 298.477 3.546 30 20 CHED Oc1ccccc1/C=N/Cc1cccc(C(F)F)c1 1116683973 DBGPGLKTXKWDNC-VCHYOVAHSA-N 261.271 3.949 30 20 CHED COCCCC(=NOC(C)(C)C)c1ccc(F)cc1 1116920410 BHMLAXFGANSFLJ-UHFFFAOYSA-N 267.344 3.772 30 20 CHED C=C(C)C(C)(C)c1nnc(COc2ccccc2OC)o1 1118423577 NNNRNMNTNBUHGQ-UHFFFAOYSA-N 288.347 3.511 30 20 CHED C#CCCCC(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1123105256 DHRWURGLESVIBC-DOMZBBRYSA-N 275.373 3.686 30 20 CHED Cc1nc(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)ccc1C#N 1128211784 UFLVAFOABFRDIV-ZBFHGGJFSA-N 299.418 3.596 30 20 CHED Cc1csc2ncnc(NCc3ccc(C#N)c(F)c3)c12 1159082534 GVMMLAMTPHCUSU-UHFFFAOYSA-N 298.346 3.623 30 20 CHED CC[C@H](C)CN(C)c1nccc(Oc2cccc(C#N)c2)n1 1162514694 AZDALGMXOULYSL-ZDUSSCGKSA-N 296.374 3.623 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC[C@H]2C2CC2)cc1F 1182358126 ZUYYXKHPBNLCLM-CVEARBPZSA-N 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CC1=CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 270136486 KODUSIYQEFZNIJ-UHFFFAOYSA-N 299.374 3.529 30 20 CHED Cc1cnn(CCCCCN[C@@H](C)c2ccc(C#N)cc2)c1 271620575 CUKMAZMYKGDLGW-INIZCTEOSA-N 296.418 3.584 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccccc1CCC(F)(F)F 273866592 NNAVSLZIJRXZCE-LBPRGKRZSA-N 298.308 3.604 30 20 CHED CCOC1CC(CCN[C@@H](C)c2ccc(C#N)c(F)c2)C1 276711624 WTLDYDRWTBHJIG-FUJMWEONSA-N 290.382 3.553 30 20 CHED CC(C)(C#N)CC(=O)Nc1nc2c(Cl)cccc2s1 278670043 CLMICOZGTFKUAI-UHFFFAOYSA-N 293.779 3.828 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)[C@H](c1ccccc1)C(C)C 280516082 ARLGSYODNGIWNR-KRWDZBQOSA-N 296.370 3.929 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 281234910 FBSYIKNFUNEPRP-INIZCTEOSA-N 297.402 3.587 30 20 CHED C=CC[C@@H](CC)NC(=O)c1sccc1SC 281387742 OAORYWDPDXBSPH-SECBINFHSA-N 255.408 3.555 30 20 CHED Cc1cc(C(=O)/C=C/c2cnn(CC(C)C)c2)oc1C 282174980 ODHQQFHZVXSKEP-AATRIKPKSA-N 272.348 3.645 30 20 CHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 282352814 PKQMAUXZQOSQBI-JTNHKYCSSA-N 293.208 3.792 30 20 CHED N#CCCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 285551523 UQIDEOXFWKEVTK-KZNAEPCWSA-N 268.404 3.948 30 20 CHED C=CCC[C@@H](NCCCCOCC)c1ccco1 285611607 KGQJJVUZLOEXHA-CQSZACIVSA-N 251.370 3.693 30 20 CHED CCCOc1cccc(-c2noc(CC(C)(C)C#N)n2)c1 289034080 WDQWJSKEKHAVSQ-UHFFFAOYSA-N 285.347 3.618 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(Cl)s1 292141070 DZQPTZZMQGBISX-UHFFFAOYSA-N 271.813 3.962 30 20 CHED CCCNc1ccc(Cl)cc1NC(=O)CCCC#N 292313776 WIMOHZNFYBDPDK-UHFFFAOYSA-N 279.771 3.794 30 20 CHED N#C[C@@]1(C(=O)Nc2cccc(Cl)c2)CC12CCCC2 294258529 QEJCTFDOWSNZCV-OAHLLOKOSA-N 274.751 3.753 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc(C#N)c1 295861943 TXCWHRHTXFJOPT-QGZVFWFLSA-N 270.376 3.599 30 20 CHED CC#CCCCC(=O)Nc1cc(Cl)cnc1Cl 297767098 PKEDKHFOFPBIEH-UHFFFAOYSA-N 271.147 3.521 30 20 CHED C[C@@](O)(CNc1ccc(C#N)c(Cl)c1)c1cccs1 301371990 UGFYTRWYRAPQPH-CQSZACIVSA-N 292.791 3.593 30 20 CHED C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)C1 301763503 FGWHHQSZOMWPNF-MNOVXSKESA-N 297.324 3.844 30 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RFGOFCVCYMKREK-KSSFIOAISA-N 297.402 3.620 30 20 CHED Cc1cc(F)cc(NC(=O)c2cccc(C#N)c2C)c1 337890806 HTZWHHAKXSCRJZ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)c1cc(C)sc1C)OCC 339419804 RMOCOMCKLBIXIW-WFASDCNBSA-N 295.448 3.913 30 20 CHED CSc1ccc(N(C)C(=O)c2ccc(CC#N)cc2)cc1 340155568 OYTODRGXOONPKM-UHFFFAOYSA-N 296.395 3.751 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H]1CCCSC1 340935234 HWNZVWAIPQWESC-JTQLQIEISA-N 266.797 3.767 30 20 CHED Cc1ccnc(N(C)Cc2cc3ccccc3o2)c1C#N 343534393 RKJLUOZCMNZLRR-UHFFFAOYSA-N 277.327 3.644 30 20 CHED C=C(C)CCNc1cc(C[S@](C)=O)ccc1Cl 345307667 AUBFQZCBRFJYCL-KRWDZBQOSA-N 271.813 3.597 30 20 CHED C[C@@H](C1CCC1)N(C)C(=O)c1ccc(C2(C#N)CC2)cc1 347169269 NMTGULIXNXWKDX-ZDUSSCGKSA-N 282.387 3.502 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@H](C)CCSCC 350794463 MCGUVAXCCIKTNN-CYBMUJFWSA-N 296.484 3.555 30 20 CHED C=C(C)CN(CC[C@H](C)F)Cc1cnn(C(C)C)c1 352922112 NOOIPLJPUVDVNG-AWEZNQCLSA-N 267.392 3.590 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C#N)ccc1NC1CC1 355656273 TZDNDYAOFHUFFX-NEPJUHHUSA-N 285.391 3.753 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1nc(C#N)cs1 356300903 KGVZJGAUAHRUEI-UKRRQHHQSA-N 297.427 3.783 30 20 CHED C=CCC1(C(=O)N[C@H](C)CC(=O)c2cccs2)CCC1 358178794 FCFYGMORDFAKLW-GFCCVEGCSA-N 291.416 3.572 30 20 CHED C=C(CC)CSCCCC1(C#N)CCOCC1 358457776 RXPNBJWZOAYHOH-UHFFFAOYSA-N 253.411 3.786 30 20 CHED C=CCCCC(=O)Nc1cccc(-c2nccc(C)n2)c1 360102230 PQGHHRNLYISXJC-UHFFFAOYSA-N 281.359 3.747 30 20 CHED CO[C@H](CN[C@H]1CCCCc2cc(C#N)ccc21)C(C)C 360656537 IMXGTJBDYAEMPU-ZWKOTPCHSA-N 286.419 3.586 30 20 CHED C=CCCC1(C(=O)N2Cc3ccc(C)cc3C2)CC1 361326612 PBXHAUDMJQIZHR-UHFFFAOYSA-N 255.361 3.584 30 20 CHED Cc1csc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 380942951 YLFBSUKWYWENAE-ZDUSSCGKSA-N 286.400 3.810 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@@H]1CCCOC1 388951322 UQAHXCZAVLUSBJ-GHMZBOCLSA-N 298.308 3.804 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1CCCCC1(F)F 390924474 YDGQVTPSMHPMHX-LBPRGKRZSA-N 258.356 3.731 30 20 CHED N#CC[C@H]1CCCN(Cc2cccc(Cl)c2F)C1 397661206 CMNYXNBNORHLTP-LLVKDONJSA-N 266.747 3.605 30 20 CHED C[C@H](C#N)OCCOc1cccc(OCc2ccccc2)c1 399193264 WXLKONXMIWILBX-OAHLLOKOSA-N 297.354 3.573 30 20 CHED N#Cc1nc(N2C[C@H]3CCCC[C@H]3C2)ccc1C(F)(F)F 409713331 RYDQYFQVVIEKKR-PHIMTYICSA-N 295.308 3.598 30 20 CHED COc1cc([C@H](C)N[C@H](C)CCC#N)ccc1OC(C)C 411450210 MZEAHNRHGPLBRU-KGLIPLIRSA-N 290.407 3.825 30 20 CHED CN(CCCC#N)[C@H]1CCCC[C@H]1c1ccccc1 411998292 MPEONRYUTQPPBM-IRXDYDNUSA-N 256.393 3.948 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1cccs1 412811480 BXYVSKJFNKYYRH-INIZCTEOSA-N 299.439 3.984 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1Cl)[C@H]1CC1(C)C 416084873 PPOUBDHDGGVPMV-OCCSQVGLSA-N 290.794 3.766 30 20 CHED N#Cc1ccccc1CSCc1nnc(C2CC2)s1 419399265 YPBMOHLZEFZYBH-UHFFFAOYSA-N 287.413 3.721 30 20 CHED C=CCCCN(C)C(=O)N[C@H](CC(F)F)c1ccccc1 422253192 CWJWOLJSKAIYLH-CQSZACIVSA-N 296.361 3.991 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(C(F)(F)F)cc1 424575033 ZNKAYKXHBOVVMH-UHFFFAOYSA-N 285.309 3.924 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(F)c(Cl)c1 424631658 AQDSPYCTOXLNAF-UHFFFAOYSA-N 269.747 3.698 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 424704714 XGNQKYFMBREAEH-CHWSQXEVSA-N 269.454 3.721 30 20 CHED CCN(C(=O)[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 425518447 SBHPVJIALNWMQC-BBRMVZONSA-N 270.376 3.737 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425528096 PPUGSYAEBQUWST-BBRMVZONSA-N 285.391 3.615 30 20 CHED CN(CC#Cc1ccc(Cl)cc1)C(C1CC1)C1CC1 427019310 JWGDVIARVKHOGB-UHFFFAOYSA-N 273.807 3.812 30 20 CHED C[C@@H](NC(=O)c1cc2sccc2[nH]1)c1ccc(C#N)cc1 429718588 NLJCUJSRLVIKAU-SNVBAGLBSA-N 295.367 3.592 30 20 CHED N#CCC1(CNC(=O)Nc2ccc(Cl)cc2Cl)CC1 429812085 VSBJEFQVIISRMW-UHFFFAOYSA-N 298.173 3.809 30 20 CHED C=CCCS(=O)(=O)Nc1cc(Cl)c(C)c(Cl)c1 431213560 PIHRMSCGHOGCEV-UHFFFAOYSA-N 294.203 3.620 30 20 CHED C=CCNC(=O)c1ccc(N2CCCc3ccccc32)cc1 431653673 CODIIWCDZCQYDH-UHFFFAOYSA-N 292.382 3.687 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@H](C)[C@H]1c1ccccc1 432553838 BMFKIIOYHSJGIL-HOCLYGCPSA-N 286.419 3.991 30 20 CHED CC(C)C1CCC(N(C)C(=O)c2ccc(C#N)cc2)CC1 432573195 KHIVWAAKZZMEQO-UHFFFAOYSA-N 284.403 3.845 30 20 CHED Cc1oc(C#N)cc1C(=O)N(Cc1ccccc1)CC(C)C 435886805 BOMFWBBLFRDZAO-UHFFFAOYSA-N 296.370 3.758 30 20 CHED C[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)CC1 437120864 CBOUXSGZNDXKKO-GFCCVEGCSA-N 294.345 3.782 30 20 CHED C[C@@H](CSCCOc1cccc(C#N)c1)C(F)(F)F 439027725 OOYKRRHHDREPEA-JTQLQIEISA-N 289.322 3.869 30 20 CHED CN(CCC#N)C(=O)Nc1ccc2c(c1)oc1ccccc12 443918273 KNIHLPDQDKVOSR-UHFFFAOYSA-N 293.326 3.963 30 20 CHED Cc1cc(COc2ccc(F)c(F)c2)ccc1C#N 447299033 NFEPICPSHOFTDZ-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC[C@H](N[C@H]1COc2ccc(F)cc21)c1ccc(C#N)cc1 447600607 NBZPFRBZNVJGSO-IRXDYDNUSA-N 296.345 3.872 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)[C@@]1(C#N)C[C@H]1C 448610185 GKIFBFHVPQEJSI-KZULUSFZSA-N 296.370 3.503 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 449151248 WUCUAHGPKLJWNF-VUGNNNGISA-N 292.467 3.890 30 20 CHED C=CC(C)(C)CN[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 449486744 VCHUNTSAMBVGRD-FUHWJXTLSA-N 286.463 3.699 30 20 CHED C=CC(C)(C)CNCc1c[nH]nc1-c1cccc(C)c1 449486963 WLYFVABBKARHOQ-UHFFFAOYSA-N 269.392 3.687 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 452546078 YISFHYZHYYESGL-OAHLLOKOSA-N 296.414 3.841 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 452712553 AZTAFBPJRYVLAG-QWHCGFSZSA-N 297.320 3.891 30 20 CHED C=CC(C)(C)CNC(=O)c1sccc1C(C)C 452773318 AOBYDWMGMVOHEK-UHFFFAOYSA-N 251.395 3.814 30 20 CHED C=CC(C)(C)CNC(=O)Cc1ccc(SCC)cc1 452778100 WUMCWJPJCDYWSW-UHFFFAOYSA-N 277.433 3.670 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(-c2ccccc2)o1 453341804 CYTUJNNQCFYKJT-BMFZPTHFSA-N 283.371 3.941 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)Nc1ccc(CC#N)cc1 454339486 DKZWQWFCYVQOSC-IRXDYDNUSA-N 299.418 3.897 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(C)cc(N(C)C)cc1C 455013946 RHJKUVOWZHRWNA-UHFFFAOYSA-N 289.423 3.703 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](C)[C@@H]2C)c1 455948736 BOJAJOSYLFSSHM-STQMWFEESA-N 271.364 3.519 30 20 CHED CC(C)(CNC(=O)[C@H](C#N)CCc1ccccc1)C1CCC1 456114528 ATPJNOCZIXCCEI-INIZCTEOSA-N 298.430 3.701 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)NCC(C)(C)CC#N 457996500 SIBPQKYXOZOQLZ-INIZCTEOSA-N 286.419 3.557 30 20 CHED N#Cc1c[nH]c2ccccc2c1=NC[C@@H]1CCc2ccccc21 462830496 XXKZVRYJLLKVFQ-HNNXBMFYSA-N 299.377 3.670 30 20 CHED CC#CCCCC(=O)Nc1cccc(OCC(C)C)c1 464440196 GTBMPIUVCIOISX-UHFFFAOYSA-N 273.376 3.854 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CCc2ccccc2C1 466382698 HYNYWPAEMRULKR-IAGOWNOFSA-N 286.419 3.540 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1[C@@H](C)CCC 466395706 KNZQXVCUNAPAQA-KKUMJFAQSA-N 266.429 3.951 30 20 CHED CC[C@H](CNCCc1cccc(C#N)c1)c1ccccc1 466424063 UVDCWAICHMFVFJ-GOSISDBHSA-N 278.399 3.884 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2nccc(C)n2)c1 468001439 UQGCUFIAQDDNFD-GOSISDBHSA-N 295.386 3.993 30 20 CHED C=CCOCCCN(C)Cc1cccc(C(F)(F)F)c1 470723018 LSVPLEOPIXAZCP-UHFFFAOYSA-N 287.325 3.730 30 20 CHED C=CCN(CCc1ccccc1)c1cc(C)c([N+](=O)[O-])cn1 470859171 MHVBCBRCGAYQSB-UHFFFAOYSA-N 297.358 3.533 30 20 CHED CC[C@H]1CN(CCCC#N)CC[C@@H]1c1ccccc1 472251821 VRGLBHRHSNRLHG-RDJZCZTQSA-N 256.393 3.806 30 20 CHED Cc1ccc(SCC(=O)N(C)c2ccccc2C#N)cc1 479686382 FUNUWJOEBDVZFN-UHFFFAOYSA-N 296.395 3.622 30 20 CHED N#Cc1cccc(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 480586798 WHPCKBCVFRDYCW-ZFWWWQNUSA-N 281.334 3.841 30 20 CHED C=C(C)COc1cccc(NC(=O)NCC=C(C)C)c1 483715169 WMHRKVDAXTZJRG-UHFFFAOYSA-N 274.364 3.729 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1 485568233 KCTRHHHBGMTRGQ-CQSZACIVSA-N 278.783 3.590 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)c1ccc(Cl)s1 486811628 WILHRGZFYQUAJB-ZETCQYMHSA-N 296.804 3.826 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCS[C@H](C)CC3)c2c1 487721009 NIJULCQRJIDWEF-CYBMUJFWSA-N 297.427 3.747 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 487746419 DMKCTJDSZMJRQG-JKSUJKDBSA-N 272.392 3.540 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ncc(CCC)s1 488560969 LJHSGSAPAJABQE-LLVKDONJSA-N 279.409 3.668 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1c1cccs1 488576149 IQBRGNFKSISPAU-ZDUSSCGKSA-N 286.400 3.713 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1cccc(F)c1 488867100 MSGXZRNGRVRVTM-XJKSGUPXSA-N 275.367 3.571 30 20 CHED C=C[C@@H]1CCCCN1Cc1csc([C@@H](C)OCC)n1 489442075 ACEQQEUQFAADFC-TZMCWYRMSA-N 280.437 3.781 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccn(C(CC)CC)n1 489514865 RARUJXJSWRVMSW-MRXNPFEDSA-N 261.413 3.785 30 20 CHED C=C(CC)CNc1cccc(C(=O)OC)c1Br 492750859 RCJHBMDLKDKUPJ-UHFFFAOYSA-N 298.180 3.614 30 20 CHED C=CC[C@H](C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 494825347 RNWIJXQHQPODLF-HNNXBMFYSA-N 291.354 3.861 30 20 CHED C=CCOc1ccc(CN2CCCC[C@H]2C)cc1OC 505899434 WORPSCAJEIBRBE-CQSZACIVSA-N 275.392 3.634 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1cccc(C)c1)C(F)(F)F 510445829 QYHRIDBPNZKHKU-ZIAGYGMSSA-N 287.325 3.515 30 20 CHED Cc1cccc(OCCN(C)Cc2cccc(C#N)c2F)c1 512408102 AOBLGLYBNYAZLV-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@@H]2CCCC[C@H]12 513107317 FFEOQEXHJGLTJV-RBSFLKMASA-N 291.439 3.536 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(Cc3ccc(C#N)cn3)C2)cc1 514871530 XWTVVTLVKPZKHM-CRAIPNDOSA-N 291.398 3.640 30 20 CHED C=C(C)CN(CC)C(=O)NCCCCC(C)(C)C 521522227 VQNPQGAVAWOVML-UHFFFAOYSA-N 254.418 3.810 30 20 CHED COc1cccc([C@H]2CN(CC3(C#N)CCC3)CC2(C)C)c1 528621125 UDBKMLCTISXCSF-QGZVFWFLSA-N 298.430 3.814 30 20 CHED CC(C)(C)CCCNC(=O)C1(c2cccc(C#N)c2)CC1 532522751 XACHIKFMYLBCFR-UHFFFAOYSA-N 284.403 3.532 30 20 CHED C[C@H](C#N)CN(C)Cc1cnc(C2CCCCC2)s1 536641617 FNYDPLXNFBRALY-GFCCVEGCSA-N 277.437 3.782 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(OC)c1 537187714 VAZZPLMBANUXBH-KGLIPLIRSA-N 290.407 3.800 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 537232610 QJMDYQZKPMLVDO-RYUDHWBXSA-N 281.346 3.929 30 20 CHED C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)C1CC1 537979401 FIEGVWJPJQHEOJ-IGEOTXOUSA-N 284.403 3.636 30 20 CHED C=C(C)CN[C@H](C)c1ccc(SCCOC)cc1 539307773 ZRNPAKLCKUKPRH-CYBMUJFWSA-N 265.422 3.652 30 20 CHED C[C@@H](COc1cccc(F)c1)N[C@@H](C)c1ccc(C#N)cc1 540597959 YIDHBVDWUNOJKT-KBPBESRZSA-N 298.361 3.815 30 20 CHED C[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)C(F)(F)F 543175843 JOOBKTGGLIIZCN-NSHDSACASA-N 282.309 3.721 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1NCC1CCCCC1 543916379 PFYFKBQAMGRLJW-CYBMUJFWSA-N 285.391 3.777 30 20 CHED Cc1nnc(N2CC[C@@H](C)C3(CCCCC3)C2)c(C#N)c1C 546613503 ZAHLDLDXKPAVNK-CYBMUJFWSA-N 298.434 3.762 30 20 CHED C=CCC(C)(C)CN[C@@H](C)CC(=O)N(C)c1ccccc1 550855908 DUKCFZVMMSAULJ-HNNXBMFYSA-N 288.435 3.620 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C)cc1C#N 551295103 WJFPNOHMZIMFIV-CZUORRHYSA-N 298.386 3.886 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(OCC)c1 551506380 JAZOJDSZLLSNRI-INIZCTEOSA-N 261.365 3.935 30 20 CHED C[C@H](c1ccc(Br)cc1)N(C)CC(C)(C)C#N 552316881 QMHVDHGIYKDNSK-LLVKDONJSA-N 295.224 3.992 30 20 CHED C=CCC(C)(C)c1noc(C[C@H]2CCO[C@@H](C(C)C)C2)n1 556362418 NAMBLFCKDDWKBX-UONOGXRCSA-N 292.423 3.917 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 560767974 HNWQYIFEEMPBES-DODZYUBVSA-N 296.414 3.603 30 20 CHED C=CCCCCSCC(=O)N1CCc2sccc2C1 561243491 LBKRBDCSSUREHP-UHFFFAOYSA-N 295.473 3.722 30 20 CHED C=CCC(C)(C)CN[C@@H](C)[C@H](OC)c1ccccc1 563825600 CRRLLLGGFZGGNX-HOCLYGCPSA-N 261.409 3.955 30 20 CHED N#CCC[C@H](C#N)CNc1cccc(Oc2ccccn2)c1 565460297 YGZYQHMHRVUQRF-CQSZACIVSA-N 292.342 3.729 30 20 CHED C=CCCCNC(=O)c1cc2cc(C)ccc2s1 567003421 BTFMPLCUCALLSI-UHFFFAOYSA-N 259.374 3.906 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cc(OC3CCC3)ccn2)no1 568038575 CKSNNOZLAVQFSN-KRWDZBQOSA-N 299.374 3.917 30 20 CHED Cc1cc(CN2CCC=C(c3ccccn3)C2)ccc1C#N 568762958 ANKHOVIOUCFVOJ-UHFFFAOYSA-N 289.382 3.551 30 20 CHED CC[C@@H](c1ccc(F)cc1)[S@](=O)CCC(C)(C)C#N 570103514 PLPGPEPQYBJVGN-IFXJQAMLSA-N 281.396 3.965 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 570788736 KKULNLHVHHRNJO-YJBOKZPZSA-N 297.402 3.605 30 20 CHED C=C[C@@](C)(CC)C(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 571545595 OMIMYCDPMJEKSN-ZWOKBUDYSA-N 297.442 3.899 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1C1CCC1 574210212 ORSZIZIXLKPWDR-UONOGXRCSA-N 288.778 3.781 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(F)c(F)c2)n1 579261311 DUNKTDXQZQHYRZ-UHFFFAOYSA-N 278.302 3.792 30 20 CHED C[C@H](CCC#N)N1CCC(c2cccc(F)c2F)CC1 581594210 USZYICIYSMZOEO-GFCCVEGCSA-N 278.346 3.836 30 20 CHED C=CCOc1ccc(CN2CCC[C@H]2CF)cc1Cl 581831778 FICRFPAJGXUGAN-ZDUSSCGKSA-N 283.774 3.839 30 20 CHED N#CC1(CNCc2ccc(-c3cccc(F)c3F)o2)CC1 584030388 JJHVSOUXRMZWSM-UHFFFAOYSA-N 288.297 3.618 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CC)C1CCCCC1 586909501 ZVPHVYGEKKITDA-OAHLLOKOSA-N 264.413 3.729 30 20 CHED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1ccncc1 588386414 OLPFJZBQLMNHGU-UTCJRWHESA-N 289.281 3.622 30 20 CHED CCCCN(C(=O)CCCCCC#N)[C@H](C)CC 588864828 LVOAQZMYZZYOAK-CQSZACIVSA-N 252.402 3.888 30 20 CHED CC1(C)CN(C(=O)CCCCCC#N)c2ccccc2O1 588948149 LCYJPUXZQGFNBA-UHFFFAOYSA-N 286.375 3.665 30 20 CHED CC(C)OC1CCC(N[C@H]2CCc3ccc(C#N)cc32)CC1 589343568 FKKGGPWBGUDTCN-TVPLGVNVSA-N 298.430 3.871 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)CC(C)(C)C)cc1 589828900 GOCLTVILZIRGPW-OAHLLOKOSA-N 272.392 3.708 30 20 CHED Cc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)cc1CC#N 592985113 TZTOALKPXNNTRK-LJQANCHMSA-N 293.366 3.896 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCSc1ccc(C)c(C)c1 594098109 SCMLYABACYMPFF-AWEZNQCLSA-N 290.432 3.546 30 20 CHED CC(C)(C#N)CNc1cc(SCc2ccccc2)ncn1 594575128 SPUHVWRRWKKMKT-UHFFFAOYSA-N 298.415 3.731 30 20 CHED COc1cc(NCC2(CC#N)CC2)ccc1C(F)(F)F 594708000 ORRVXKCGBBOJSX-UHFFFAOYSA-N 284.281 3.820 30 20 CHED CO[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C1CCCC1 595095931 TXOWTSNQKIDSBT-PXAZEXFGSA-N 290.382 3.553 30 20 CHED CC(C)CCc1nc(CN2CCC[C@H](CC#N)C2)cs1 595613359 BVYPEICBPGBRSA-CQSZACIVSA-N 291.464 3.857 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(C#N)c2C)C1 596802912 HJMAQYFXXPTPDH-TZMCWYRMSA-N 285.391 3.909 30 20 CHED CS[C@H]1CCCCN(C(=O)CC2(C#N)CCCCC2)C1 597414234 KMDGFMPNZBPZHD-AWEZNQCLSA-N 294.464 3.595 30 20 CHED C[C@@H]1CCN(C(=O)CC2(C#N)CCCCC2)C[C@H](C)C1 597432744 NPTRYIIBXOXTMT-HUUCEWRRSA-N 276.424 3.745 30 20 CHED CCC[C@@H](C(=O)NCCCC#N)c1ccc(Cl)cc1 597491723 PTKIGYGMBVTGNM-CQSZACIVSA-N 278.783 3.644 30 20 CHED CC[C@@H](C)N(CC)C(=O)C[C@H](CC#N)c1ccccc1 597855632 LHAWLKZHRFURBQ-ZBFHGGJFSA-N 272.392 3.721 30 20 CHED CCN(C(=O)[C@H](C)c1c(Cl)cccc1Cl)[C@@H](C)C#N 598355468 CZPXZEIAQHOONA-VHSXEESVSA-N 299.201 3.857 30 20 CHED CC(C)(C#N)C[C@@H](O)CSc1ccc(Cl)cc1 598704173 MGFKTOULCFQZKO-LLVKDONJSA-N 269.797 3.733 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(SC)c1C 599732532 CLGXWCVCGYRESI-UHFFFAOYSA-N 276.405 3.985 30 20 CHED C=C(C)CN1C[C@H](c2ccccc2Cl)OC[C@@H]1C 600728853 YSAOCRAMAPSTMO-SWLSCSKDSA-N 265.784 3.678 30 20 CHED Cc1ccc(CNc2cc(F)cc(C#N)c2)cc1[N+](=O)[O-] 600862098 SKIWSNFGEKQICC-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CCN(C[C@H](C)CCC#N)[C@@H](C)c1cccc(O)c1 602446686 HSLJRCNZZXOQCZ-KGLIPLIRSA-N 260.381 3.715 30 20 CHED CCN(CC)Cc1ccc(CNC[C@@H](C)CCC#N)cc1 602512693 MUXOYYJEUIPTKR-INIZCTEOSA-N 287.451 3.558 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NCc1cccc(C#N)n1 602531432 IDDSBDRKOKHZAH-OAHLLOKOSA-N 293.414 3.799 30 20 CHED C[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)CS1 602579557 AIQUDEJSIZVXOL-YUELXQCFSA-N 260.406 3.515 30 20 CHED N#Cc1cccc(CNC[C@H]2CCC[C@H]2c2ccccc2)n1 602672015 BUCNBXBKQPIIAQ-APWZRJJASA-N 291.398 3.627 30 20 CHED Cc1ccc(C)c(OC2CCN(CC3(CC#N)CC3)CC2)c1 602764318 PNYCCQDXYJXRPT-UHFFFAOYSA-N 298.430 3.841 30 20 CHED C[C@H](NC(=O)NC[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 604430295 UEZLLLYUEOGNBE-KEYYUXOJSA-N 299.418 3.745 30 20 CHED N#CCCCCNC(=O)c1cc2c(Cl)cccc2s1 609142005 WKDQOVCAFYHDLV-UHFFFAOYSA-N 292.791 3.978 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H]1C1CCCCC1 610211105 VBIFHIUPKLGWDA-GDBMZVCRSA-N 285.347 3.847 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCc1ccccc1F 611390092 BJSRCSJKGNTDEO-IBGZPJMESA-N 294.373 3.907 30 20 CHED CC(C)CCc1nc(CN2CCC[C@](C)(C#N)C2)cs1 612165002 HPOIIJSBTJOCMH-MRXNPFEDSA-N 291.464 3.857 30 20 CHED CC[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)CCS1 613426216 QDQKYZKTDVXFLG-CYBMUJFWSA-N 289.448 3.583 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(F)c2Cl)C1 617783053 SBWHFGSJOXQDLN-LLVKDONJSA-N 281.758 3.907 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(C)c1 618784488 BZXAFLWHRFNDHQ-GOSISDBHSA-N 290.366 3.592 30 20 CHED C=CCN(C(=O)c1ccc(C(C)C)nc1)C(C)(C)C 622944910 KCHCBKPZRGJTCE-UHFFFAOYSA-N 260.381 3.632 30 20 CHED CN1CCC(=O)C[C@H]1c1ccc(-c2ccc(C#N)s2)cc1 629711294 BOUDEDAPPXBYRE-INIZCTEOSA-N 296.395 3.623 30 20 CHED C=CCOc1ccc(CNCc2ccc(SC)o2)cc1 641755234 VCBPQRANWOBXAW-UHFFFAOYSA-N 289.400 3.856 30 20 CHED C=CCC1(C(=O)NC[C@H]2Cc3ccccc32)CCCC1 648877361 WJZLJIBVOAOMEU-OAHLLOKOSA-N 269.388 3.579 30 20 CHED C=CCC1(NCc2cnc(C(C)(C)C)s2)CCOCC1 657633383 NDZJIFOCOUWLRM-UHFFFAOYSA-N 294.464 3.656 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCO[C@]2(CCSC2)C1 657929099 QWBCXUBUWFNKEB-LTIDMASMSA-N 295.492 3.766 30 20 CHED C=CCCNC(=O)N(CC)[C@@H](CC)c1ccccc1 661572620 UIXDNEAKXJDZBG-HNNXBMFYSA-N 260.381 3.745 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)COC 667302056 BTJPYLYEPVFVGG-GFCCVEGCSA-N 296.798 3.703 30 20 CHED C=C(CNC(=O)N1CCc2c(C)cccc21)c1ccccc1 673194597 NJFRWXKUJYFZNK-UHFFFAOYSA-N 292.382 3.781 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CC23CCC3)CCCC1(C)C 683457875 PBQJGBQMISYFOW-KBPBESRZSA-N 261.409 3.770 30 20 CHED CC[C@](C)(C#N)NC(=O)/C=C(\C)c1ccccc1Cl 727378814 XXLKGQNWQOOGCH-SLZMIMFISA-N 276.767 3.552 30 20 CHED Cc1ccc(OC(=O)CSc2ccc(C#N)cc2)c(C)c1 728459189 SNXTUVJVXXPYKH-UHFFFAOYSA-N 297.379 3.873 30 20 CHED C#CCN(C(=O)[C@H](C)c1ccccc1F)C1CCCCC1 731323293 CNOKHFXYPJBPJA-CQSZACIVSA-N 287.378 3.724 30 20 CHED Cc1ncc(/C=C\C(=O)O[C@@H](C)c2cccc(C#N)c2)s1 732902493 HKRCYHCHMHEACT-ZADCQDASSA-N 298.367 3.641 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(SC(F)(F)F)cc1 735066003 LXMRDPBSXBFRPL-SECBINFHSA-N 289.322 3.993 30 20 CHED COc1ccc(CCNN=C(C)c2cc(C)ccc2C)cc1 737439800 INIWWCDDYVXDRJ-UHFFFAOYSA-N 296.414 3.868 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CC[C@@H](COC)C1 740473701 OQQOMWVXIVQNJN-JKSUJKDBSA-N 298.471 3.661 30 20 CHED COCc1ccc(C=NNc2ccc(C)cc2)cc1 741759673 MJCHCXHCIRJXMY-UHFFFAOYSA-N 254.333 3.587 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc(-c2ccc(F)cc2)cc1F 744177828 BGVPDAIICIDMMM-LLVKDONJSA-N 286.277 3.810 30 20 CHED C=C(C)CCOC(=O)c1cn(CC)c2ccccc12 744304448 WBUZXRLNQNBHFO-UHFFFAOYSA-N 257.333 3.784 30 20 CHED CC(=NN=C1CCC[C@H]1c1ccc(C)cc1)c1cnccn1 745209074 QASXIGWJYDEDNG-INIZCTEOSA-N 292.386 3.918 30 20 CHED N#Cc1cccc(NN=C/C=C/c2ccc(F)cc2)c1 747751931 SKOAUUZXGUNFBQ-GFNUMTGTSA-N 265.291 3.808 30 20 CHED CCCCCCCCN1CCN([C@H](C)C(F)(F)F)CC1 749800784 OCUARENCNUEKMN-CQSZACIVSA-N 294.405 3.915 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H](C)c1cnn(C)c1 749917956 DJKRXBJWKCVNSN-OAHLLOKOSA-N 293.455 3.733 30 20 CHED Cc1ccc(N(C(=O)c2ccc(C#N)cc2)C(C)C)cc1 751135365 RJHXBGOXEYPLTP-UHFFFAOYSA-N 278.355 3.922 30 20 CHED C=C(Br)CN1CCC(c2cccc(F)c2)CC1 752087513 DJIPNDUBZAUHIG-UHFFFAOYSA-N 298.199 3.914 30 20 CHED C#C[C@@H](CC)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 754390692 ZFCJMEKUSZORDL-NEPJUHHUSA-N 297.320 3.727 30 20 CHED Cc1ccc(C=NNc2ccc(C(F)(F)F)nn2)c(C)c1 754711858 YXMPWJOOBURYQN-UHFFFAOYSA-N 294.280 3.558 30 20 CHED Cc1ccc(C(=O)OCCCCC#N)c(Br)c1 754971485 KWACKWXHMBORLE-UHFFFAOYSA-N 296.164 3.608 30 20 CHED Cc1ccc2ncc(C=NNc3ccc(Cl)cc3)n2c1 755461423 CKQXDKSYMGBSSZ-UHFFFAOYSA-N 284.750 3.742 30 20 CHED C=C(C)COC(=O)c1cc(F)cc(C(F)(F)F)c1 756233468 FFFAFXXGTMWZFU-UHFFFAOYSA-N 262.202 3.577 30 20 CHED C=C[C@H](C)NC(=O)Cc1ccc(OCCCCCC)cc1 757004908 UHDXLEIOCWSJLV-HNNXBMFYSA-N 289.419 3.879 30 20 CHED C[C@H]1C[C@H]1C=NNc1nc(-c2ccccc2)cs1 758370443 DEVLWCVBHSCAOV-JQWIXIFHSA-N 257.362 3.864 30 20 CHED C#CCCCCNC(=O)NC1(c2cccc(C)c2)CCCC1 758743918 MLVYTVDSTPFOFM-UHFFFAOYSA-N 298.430 3.867 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H](C(C)(C)C)CC1 758885586 IMCKMUQTAIYQJC-OAHLLOKOSA-N 278.440 3.648 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc(Cl)nc1 759083564 NGDQEUBPRYRRGR-GQCTYLIASA-N 287.746 3.948 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1nc(Cl)cs1)C2 759085192 SLIFUEYFDFGPPD-UXBLZVDNSA-N 275.760 3.927 30 20 CHED N#Cc1ccc(F)cc1COC(=O)C=C1CCCCC1 759357130 GKRGAVKUSJUHDQ-UHFFFAOYSA-N 273.307 3.631 30 20 CHED Fc1cnc(NN=C2CC(c3cccc(Cl)c3)C2)nc1 760262795 PFHCVGBWLLMQGH-UHFFFAOYSA-N 290.729 3.615 30 20 CHED CCCCCCCN1CCC(Nc2ccccn2)CC1 761117715 LYUJWIAUVGBFRU-UHFFFAOYSA-N 275.440 3.928 30 20 CHED N#CC1(OC(=O)c2ccc(Cl)cc2Cl)CCC1 762096178 ZCWPIARNWZKBNV-UHFFFAOYSA-N 270.115 3.596 30 20 CHED CCC(=NNc1ccc(C)nn1)c1cccc(Cl)c1F 763406492 OLUHAHKQAYAABJ-UHFFFAOYSA-N 292.745 3.804 30 20 CHED N#Cc1ccc(CN(C/C(Cl)=C/Cl)C2CC2)cc1 763506461 FGNNNRRGBQAZAC-QPEQYQDCSA-N 281.186 3.842 30 20 CHED C#CCN(CC)C(=O)C1(c2c(Cl)cccc2Cl)CC1 764211708 WUUUYUONTXURKS-UHFFFAOYSA-N 296.197 3.507 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc2c(c1)COC2 764436196 QOTHXEGVVAMURT-PLNGDYQASA-N 286.352 3.683 30 20 CHED CCc1cnccc1C(C)=NOCc1ccccc1 765570955 ALUHJQAICHFIAQ-UHFFFAOYSA-N 254.333 3.585 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1ccccn1 766687530 GIQIETGVUKBRPK-GFCCVEGCSA-N 251.333 3.713 30 20 CHED CCOc1ccc(C=O)c(OCCCCC(C)(C)C#N)c1 767032701 GRWDFOPSPQMDCK-UHFFFAOYSA-N 289.375 3.997 30 20 CHED COc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1 768373352 ODLGKWQWTDUSCU-UHFFFAOYSA-N 275.348 3.572 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(C(C)C)cc1O 769724451 CCXZCTIDXPVZGO-UHFFFAOYSA-N 288.391 3.527 30 20 CHED CC[C@@H](C)C(C)=NNc1ccnc(Br)c1 769803350 ASGKRUMVIXVQLY-MRVPVSSYSA-N 270.174 3.678 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cccc(F)c1 769828977 MTZWGLAIFNMGIJ-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CCc1nc(C=NNc2c(C)cccc2F)cs1 769840954 QAFNVLFTIQJTBE-UHFFFAOYSA-N 263.341 3.599 30 20 CHED C#CCSCCN[C@@H](C)c1ccc(OC)c2ccccc12 773011009 QSYAYEAUTQMZPX-AWEZNQCLSA-N 299.439 3.865 30 20 CHED CCOc1ccccc1C(C)=NNc1nccnc1C(C)C 773093030 IURXSSOLORFGPO-UHFFFAOYSA-N 298.390 3.835 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCCC1(C)C 773134656 DGARBYBUOWWHNP-ZDUSSCGKSA-N 289.350 3.603 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1cc(C#N)cc(Cl)n1 773207813 MAJJTCJKLQMOEW-AAEUAGOBSA-N 288.782 3.997 30 20 CHED C=C(CC)COC(=O)C[C@H](C)c1cccc(OC)c1 773522298 JIIUIOPUZSCFRR-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED C=C(CC)COC(=O)[C@@H]1C[C@H]1c1sccc1C 773537487 VDACRHJADVPRBW-VXGBXAGGSA-N 250.363 3.669 30 20 CHED Cc1cccc(Cl)c1OC(=O)Cc1ccccc1CC#N 776935121 MLLATCWYFQXNCU-UHFFFAOYSA-N 299.757 3.863 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1ccc2cc(O)ccc2c1 777467326 LAQNZSRSIGSTPX-XFSBKJJWSA-N 293.297 3.976 30 20 CHED C=CCC[C@H](C(=O)OCc1nccs1)c1ccccc1 778558940 HGIPRHDLEZDAHV-AWEZNQCLSA-N 287.384 3.936 30 20 CHED CCOc1cc(Cl)ccc1C(=O)OCCCCC#N 778893085 LZKFGDONNDUIIA-UHFFFAOYSA-N 281.739 3.589 30 20 CHED CCc1ncc(CNc2ccccc2O[C@@H](C)C#N)s1 779988856 LCWZTAHVJRUCBO-NSHDSACASA-N 287.388 3.608 30 20 CHED CC(=O)Nc1ccc(C(C)=NN[C@H](C)c2ccccc2)cc1 781587554 GHQCJPXZJBJQJC-CYBMUJFWSA-N 295.386 3.720 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1ccc(Cl)cn1)OCC 781709998 CEIVBMLIDHYNHG-RISCZKNCSA-N 297.782 3.711 30 20 CHED Clc1ccsc1C=NNc1nc2ccccc2[nH]1 782126933 GNFNOWUWMPEWJZ-UHFFFAOYSA-N 276.752 3.724 30 20 CHED Cc1cc(OC(=O)CC(C)(C)C#N)cc(C)c1Cl 782602127 WGSLCDRRMQWFJY-UHFFFAOYSA-N 265.740 3.802 30 20 CHED CCCC[C@H](NCc1ccc(C#N)cn1)c1ccccc1 783292996 FKWIQNXNRDNQQW-SFHVURJKSA-N 279.387 3.974 30 20 CHED C=CCCCC(=O)OCc1ncc(C(C)C)s1 783492597 MQAWTFRLOGLVKJ-UHFFFAOYSA-N 253.367 3.666 30 20 CHED N#Cc1ccc(COC(=O)/C=C\c2ccco2)c(Cl)c1 784189201 XYOFPGZBQXCTAE-WAYWQWQTSA-N 287.702 3.561 30 20 CHED CCCCCCCOC(=O)Cc1ccc2c[nH]nc2c1 786556500 QZFAQBXZTKKKGA-UHFFFAOYSA-N 274.364 3.619 30 20 CHED C#Cc1ccc(CNc2ccc(-c3cnco3)cc2)cc1 787769234 CVPKWQTYVDDQNL-UHFFFAOYSA-N 274.323 3.935 30 20 CHED C#CCC1(C(=O)O[C@H](C)C(=O)c2ccccc2)CCCCC1 788213514 OALVCZMCTDUOCM-OAHLLOKOSA-N 298.382 3.775 30 20 CHED C#CCC1(C(=O)NCc2ccc(OC)cc2C)CCCCC1 788231610 GPTIRAFHHQCZBZ-UHFFFAOYSA-N 299.414 3.594 30 20 CHED O=c1[nH]ccc2cc(NN=Cc3cccc(Cl)c3)ccc12 789071817 XWVOBOQEVXWFOB-UHFFFAOYSA-N 297.745 3.628 30 20 CHED C=C(C)[C@H](NC(=S)NC1(C)CC1)c1ccc(F)c(F)c1 789298056 WZSOHSQDUSMYNA-ZDUSSCGKSA-N 296.386 3.599 30 20 CHED C=CCCN(C[C@H]1CC[C@@H](C)O1)OCc1ccccc1 789424118 VBDMPQNZZWELGV-NVXWUHKLSA-N 275.392 3.564 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1ccc(Cl)cc1 790310446 HXNYCRJDCIRQIA-UHFFFAOYSA-N 293.685 3.833 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1ccsc1Cl 790311313 ZVBHWUUWWBPZQW-UHFFFAOYSA-N 299.714 3.895 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@@H](c1ccccc1)C(C)C 791204825 JUBDVBJBNGIJTD-IAGOWNOFSA-N 271.404 3.734 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc2cccnc2c1 791850755 RQBVQPFSBYTEDP-MRXNPFEDSA-N 255.317 3.743 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccccc1N(C)C 793163208 ZLMOVTGFYBNQMV-UHFFFAOYSA-N 288.782 3.637 30 20 CHED Cc1ccc(CCCC=NNc2ncncc2F)cc1C 793224920 CEOUTLCOKFNLEQ-UHFFFAOYSA-N 286.354 3.653 30 20 CHED CCN(CC)c1ccc(/C=N\CC2CC(F)(F)C2)c(O)c1 793656920 UIMUMBHUJKPLRK-ODLFYWEKSA-N 296.361 3.703 30 20 CHED CC(CCc1ccc(F)cc1)=NNCCC(F)(F)F 794552063 HHNCMAIEGJJTGF-UHFFFAOYSA-N 276.277 3.676 30 20 CHED Cc1cccc(CN(C)Cc2ccc(OCC#N)cc2)c1C 794643111 WTJSDZGAUQFDTL-UHFFFAOYSA-N 294.398 3.838 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1cccc2ccccc12 794689397 AYOCCENGYSNVFU-KHPPLWFESA-N 276.339 3.778 30 20 CHED C#CCCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 797434970 HJRUHNBNSZMJFJ-UHFFFAOYSA-N 299.305 3.621 30 20 CHED CC(C)CCOc1ccc(C(=O)/C=C\c2cn(C)cn2)cc1 798231957 MTQFIIWZTXLGIR-TWGQIWQCSA-N 298.386 3.741 30 20 CHED Cn1cnc(/C=C\C(=O)c2cc(Cl)sc2Cl)c1 798232249 PEYBLJVQQTZNTR-IHWYPQMZSA-N 287.171 3.685 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(C#N)c(OC)c2)o1 799497469 RIOFABVIBXQMBD-VMPITWQZSA-N 281.311 3.618 30 20 CHED COc1ccc(NN=C2CCC[C@@H](c3cccnc3)C2)nc1 799885686 ACFMFAHYCHFEIB-CYBMUJFWSA-N 296.374 3.611 30 20 CHED CCCCCCCn1ccc(C(F)(F)F)cc1=O 799963438 OAHUNIAESGRCLN-UHFFFAOYSA-N 261.287 3.838 30 20 CHED N#CC1(CCCOC(=O)C2=CCCCCC2)CCOCC1 800204496 MQCNRNJSPZCDJJ-UHFFFAOYSA-N 291.391 3.521 30 20 CHED C=CCCCCCCNC(=O)C[C@H]1CCC[C@H](OC)C1 805218331 WTLFTMBHHUJDCU-HOTGVXAUSA-N 281.440 3.834 30 20 CHED C#CCCCCN[C@H](CC)c1cccc(Cl)c1O 806148453 ULKPSWWXANVUIX-CQSZACIVSA-N 265.784 3.890 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cc(Cl)cc(C)c1O 807981599 JUZAUFLKKZADPV-ZDUSSCGKSA-N 283.755 3.621 30 20 CHED Cc1cc(Cl)cc([C@@H](C)NCC2(CC#N)CC2)c1O 808718327 MNLBMJOWQFRTJV-LLVKDONJSA-N 278.783 3.699 30 20 CHED C#Cc1ccc(CN[C@H](c2cccs2)C2CC2)cc1 809603091 JSTGTUCFQBXVMT-KRWDZBQOSA-N 267.397 3.970 30 20 CHED N#CCC1(OC(=O)c2csc3c2CCCC3)CCC1 810858933 RKRBLNKFPYPNMX-UHFFFAOYSA-N 275.373 3.620 30 20 CHED CC1(C)C(=NNC[C@@H]2CCSC2)C[C@H]1c1ccccc1 811659547 XWLBTDJEPLDECU-ZFWWWQNUSA-N 288.460 3.899 30 20 CHED FC(F)(F)c1ccccc1C=NOC/C=C/Cl 811669678 HZMWGKSZXDLPCT-HCVKYZOSSA-N 263.646 3.808 30 20 CHED Fc1cc(C=NOC/C=C/Cl)cc(C(F)(F)F)c1 811669734 IMLVKTFOSTWKKU-AQPVDJSSSA-N 281.636 3.948 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1[nH]cnc1C 812233103 RNEMYOBYQFXDKR-UHFFFAOYSA-N 256.353 3.596 30 20 CHED CCc1cccc(N=Cc2c(O)cccc2OC)c1 812391650 MVCZANDIPHKGNF-UHFFFAOYSA-N 255.317 3.714 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccc(F)c(C)c2)c1 812415055 XIKUJIWXHCFDAT-ODLFYWEKSA-N 287.334 3.858 30 20 CHED C=C(CNC(=O)/C(=C\c1ccccc1)OC)c1ccccc1 813622366 PVQCMGLANLWTFV-QGOAFFKASA-N 293.366 3.504 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ncnc2ccsc12 814880146 RVWPXWKJVVGZNF-JTQLQIEISA-N 299.403 3.809 30 20 CHED COc1ccccc1CON=C1CC[C@H]1C1CCC1 814924147 VTUCNPVZIQUGNU-AWEZNQCLSA-N 259.349 3.778 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1O 815588684 VXEYCOWNYHNGEB-IUCAKERBSA-N 259.271 3.636 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)CC(C)(C)C1CC1 815693006 JBWOMEXYTVBWRV-UHFFFAOYSA-N 289.350 3.603 30 20 CHED CN(Cc1ccccc1N1CCCCC1)CC(C)(C)C#N 816632842 BDGGHXFFRXXYTO-UHFFFAOYSA-N 285.435 3.658 30 20 CHED C[C@@H](OC(=O)C1CC2(CCC2)C1)c1ccc(C#N)cc1 830625507 FVIGJTNLVPIRTA-GFCCVEGCSA-N 269.344 3.743 30 20 CHED C=CCCCCC(C)=NNc1cc(Cl)nc(C)n1 834963129 SBUKCVSXBRKRBO-UHFFFAOYSA-N 266.776 3.973 30 20 CHED c1ccn2nc(NN=C3CCCC34CCCCC4)nc2c1 834974572 ICHXWHNFYUTODI-UHFFFAOYSA-N 283.379 3.632 30 20 CHED Cc1cc(NC(=O)C#CC(C)(C)C)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 837512312 CBZXHOSMZAMNMH-SOUVJXGZSA-N 299.418 3.541 30 20 CHED N#C[C@@]1(C(=O)OCCCc2ccccc2)CC12CCCC2 837909793 XQRNVKHLMAVGCT-GOSISDBHSA-N 283.371 3.636 30 20 CHED CC(C)c1nc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cs1 839051037 MGVBHFOPLXXPIQ-QWRGUYRKSA-N 278.377 3.506 30 20 CHED C=C[C@H](CC(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1 839053635 JWZXNVTUITZPRB-UXLLHSPISA-N 283.371 3.972 30 20 CHED C#CCCCCCC(=O)Nc1nccc(-c2ccccc2)n1 839228437 PADIHLPMNVRSKW-UHFFFAOYSA-N 293.370 3.666 30 20 CHED C#CCCCCCC(=O)NC[C@H]1CCC[C@H]1C1CC1 839808109 URKVNCJEYACMOT-CVEARBPZSA-N 261.409 3.513 30 20 CHED C#CC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 843708959 ONKAOLKHYGWRGD-UHFFFAOYSA-N 289.378 3.839 30 20 CHED C[C@H]1Cc2cc(-c3ccc(CC#N)s3)ccc2O1 844226700 JJCMQYNPVXMSQC-JTQLQIEISA-N 255.342 3.805 30 20 CHED C=C[C@@H](C)ONC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 846545233 FNULQYVXQNBHSL-OCCSQVGLSA-N 290.407 3.687 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCC(C)=O 847744139 NPCNQHRJYCSBPH-VHDGCEQUSA-N 266.381 3.670 30 20 CHED O=C(O)Cc1ccc(NN=C2CCC[C@@H]2CCCF)cc1 848414336 MBAZCPIFMUXTIS-CYBMUJFWSA-N 292.354 3.631 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2 851143714 NGPXXGDWBSLCRR-YIDVYQOGSA-N 278.392 3.622 30 20 CHED CON=C(C)Cc1ccc(Cl)c(C(F)(F)F)c1 853288586 FKCXZKRHIDKHKH-UHFFFAOYSA-N 265.662 3.924 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)[C@H]1c1ccncc1 854043630 OWZQTRCBJBXKHK-KRWDZBQOSA-N 295.361 3.675 30 20 CHED Cc1cnc(F)cc1-c1cccc(C2(C#N)CCOCC2)c1 854189613 ODQIRAKQYPNXBD-UHFFFAOYSA-N 296.345 3.768 30 20 CHED CC#CC(=O)N(CC)[C@H](C)Cc1ccc(C(F)(F)F)cc1 856258490 RSIJCQRFRSBGCO-GFCCVEGCSA-N 297.320 3.508 30 20 CHED N#CC1(c2ccc(-c3ccccc3O)cc2)CCOCC1 857832476 CMHYOUFEAJXOPT-UHFFFAOYSA-N 279.339 3.631 30 20 CHED CCCCCCCNC(=O)N1CC[C@H](c2ccco2)C1 858111545 KQAROGRDTAIEHM-AWEZNQCLSA-N 278.396 3.749 30 20 CHED CCCCCCCCC(=O)N(CC)C1CCN(C)CC1 861893160 GIYXQUFAUJGVDY-UHFFFAOYSA-N 282.472 3.680 30 20 CHED CCCCCCCNC(=O)/C=C\c1cnc(C)s1 862356676 MXBIMXFYERJHEZ-HJWRWDBZSA-N 266.410 3.551 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCCCCCc1ccccc1 862625004 IJHSGYUOKYBUHK-SFHVURJKSA-N 286.419 3.846 30 20 CHED CCCC(CC)=NNCCCOCc1ccccc1 863177981 WNQRXLMLMWMIRS-UHFFFAOYSA-N 262.397 3.749 30 20 CHED Cc1ccc2ncc(C#N)c(OCSC(C)C)c2c1 863335940 PESSIAOIGHBDTI-UHFFFAOYSA-N 272.373 3.893 30 20 CHED C[C@H](NC(=O)N1[C@@H](C)CCC1(C)C)c1ccc(C#N)cc1 878421623 AQCOPKVYPXCPIT-STQMWFEESA-N 285.391 3.592 30 20 CHED C=C1CCC(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)CC1 891165814 PZRPRLJGDCEQFI-LSDHHAIUSA-N 261.409 3.770 30 20 CHED C/C(=C\C(C)(C)C)C(=O)Nc1cc(C#N)ccc1F 891450511 HKDRWWDWLNHJIX-CSKARUKUSA-N 260.312 3.628 30 20 CHED COC(=O)c1c[nH]c2cc(N[C@H](C)CC(C)(C)C#N)ccc12 895567456 PUIHGSFTDBLRIT-LLVKDONJSA-N 299.374 3.695 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 901002819 SBIKXSLBZYGOKG-INIZCTEOSA-N 299.414 3.853 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CC3(CCCC3)C2)c1 901204916 HQXWASGFNQYODJ-UHFFFAOYSA-N 274.755 3.729 30 20 CHED CNc1ccc(C)cc1CN[C@@H]1CCc2cc(C#N)ccc21 902529186 BBBDNBGETIHIRY-LJQANCHMSA-N 291.398 3.686 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)cn1 902867572 CROXXQLACQZSRZ-VHSXEESVSA-N 258.287 3.716 30 20 CHED CC[C@H](N[C@@H](C)c1nccn1CC)c1cccc(C#N)c1 903010953 UMBBGXLDFFGNJK-BBRMVZONSA-N 282.391 3.577 30 20 CHED C=C[C@H](CCC(=O)O)NC/C=C\c1c(C)cc(C)cc1C 904014459 RKLCAHGKQWMLCW-MWWKQMNYSA-N 287.403 3.634 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C#N)ccc1NC1CC1 907934300 IHCGQBDHKAYKQD-UHFFFAOYSA-N 283.375 3.673 30 20 CHED Oc1nc2ccccc2cc1C=Nc1n[nH]c2ccccc12 912774541 IHECXZCUXUYZPY-UHFFFAOYSA-N 288.310 3.567 30 20 CHED CCCCCCCC(=O)NCc1ccc(F)c(F)c1 914477422 PIUXJDVFDGSUNO-UHFFFAOYSA-N 269.335 3.942 30 20 CHED C=CCN(C(=O)CCc1ccc(CC)cc1)C(C)C 914682926 SIIJLGFETAZPNN-UHFFFAOYSA-N 259.393 3.605 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1ccc(C)c(C)c1 915970860 QACVNMDIJHRIGK-UHFFFAOYSA-N 268.364 3.546 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 916268253 TWYQGGRTBVBLCN-UHFFFAOYSA-N 273.267 3.570 30 20 CHED Oc1cccc(/C=N\CCCSc2ccccc2)c1O 920944523 NSBLZDKLYXNIHF-ATVHPVEESA-N 287.384 3.699 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc2oc(N(C)C)nc2c1 926094937 WFBDBTKTEVMCGU-NSHDSACASA-N 286.379 3.634 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1[C@@H](C)c1ccccc1 928388730 YTGJSCCDAXDBFM-DZGCQCFKSA-N 293.357 3.993 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)CCCC(F)(F)F 935640029 PVVKAHYLBKRYMO-MNOVXSKESA-N 265.319 3.826 30 20 CHED O=C(CC#Cc1ccccc1)N1CCCc2cc(F)ccc21 1116270956 VZROPYGLWXRAJL-UHFFFAOYSA-N 293.341 3.547 30 20 CHED CC(C)(C)c1ccc(NN=CCCc2ccccc2)nn1 1116378795 AOSPTUSIWVFFSR-UHFFFAOYSA-N 282.391 3.805 30 20 CHED Cn1cc(-c2ccc(/C=C/C(=O)c3ccco3)cc2)cn1 1116889923 KNJYENPRLBLOLN-RMKNXTFCSA-N 278.311 3.576 30 20 CHED CCC1CCC(N(C)C(=O)c2csc(C#N)c2)CC1 1117740185 CZNZOSVHNQKKRU-UHFFFAOYSA-N 276.405 3.661 30 20 CHED CC[C@H]1CCC[C@H]1c1nnc(-c2cccc(C#N)c2)o1 1118372132 PBWBXVLJROPKPI-GXTWGEPZSA-N 267.332 3.902 30 20 CHED C=C(C)CCC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 1120706503 CBUQHJYAFCYEHI-AWEZNQCLSA-N 283.375 3.787 30 20 CHED CCC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(F)n1 1122732896 YGLAQKLMAFSDBU-STQMWFEESA-N 276.355 3.859 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)c1cccc(C(C)(C)C)c1 1123232883 DHBPTMRUNOTFCZ-HNNXBMFYSA-N 295.386 3.691 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccccc1COC 1123398778 PRFYEEXUEDZPQW-OAHLLOKOSA-N 288.391 3.796 30 20 CHED CSc1cc(F)ccc1NC(=O)c1sccc1C#N 1130290790 SALYUCFABDXEKI-UHFFFAOYSA-N 292.360 3.733 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2C[C@H]2C2CCC2)c1C#N 1186773620 YQAHBSMTRIJLCF-GXFFZTMASA-N 261.756 3.516 30 20 CHED C[C@@H](OC(=O)CCNc1ccccc1)c1ccc(C#N)cc1 1256048418 MIJHVUFLNCEMIS-CQSZACIVSA-N 294.354 3.665 30 20 CHED CCc1ccc(C(=O)NCC(C)(C)CCC#N)cc1CC 1261120187 ALEUZTHJPMGVQJ-UHFFFAOYSA-N 286.419 3.871 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(CC)CC1CCC1 1286627855 RLCSFSBAOQCHCA-UHFFFAOYSA-N 294.830 3.534 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1F)c1ccc(F)cc1F 1306988379 BOECMEKIKYQCHN-MRVPVSSYSA-N 277.249 3.544 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cncnc1C 1317909545 VHWAMVSBQUMNPW-CYBMUJFWSA-N 277.412 3.511 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NCCCCC#N 1318506856 GTQSGNLLFQSZCV-BZUAXINKSA-N 293.455 3.688 30 20 CHED N#CCc1cccc(N(Cc2ccco2)Cc2ccco2)n1 1319740435 NNDAJQQGWMEEEU-UHFFFAOYSA-N 293.326 3.540 30 20 CHED CCC[C@]1(C)CCCN(c2cccc(CC#N)n2)C1 1320359431 IASGKZWOFCJPKY-MRXNPFEDSA-N 257.381 3.554 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(-n2cccc2)ccc1F 1324278149 GMMVEEZBUQVEJO-UHFFFAOYSA-N 294.276 3.766 30 20 CHED N#Cc1ccc(-c2nnc(C3CCC3)o2)cc1Cl 1325833486 MZLNTZAPUGZBAC-UHFFFAOYSA-N 259.696 3.529 30 20 CHED Cc1ncsc1CSCc1cc(F)ccc1C#N 1330033782 BMOXTNGTLPJWGZ-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)c1ccc(Cl)s1 1334282782 WSBNUULYABYULM-MWLCHTKSSA-N 296.823 3.704 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCOc2c(CC)cccc21 1337113150 FBUKWOXXYJHSGG-OAHLLOKOSA-N 273.376 3.545 30 20 CHED N#Cc1cccc(NC(=O)C2(Sc3ccccc3)CC2)c1 1339507297 YRSRKPBHLNFBRU-UHFFFAOYSA-N 294.379 3.822 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](c1ccncc1)C1CC1 1341057078 ICAAMFHICSSRQF-SJORKVTESA-N 299.418 3.673 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(OCC#N)c1 1346383087 LTTBBADWBBMYLG-OAHLLOKOSA-N 299.374 3.551 30 20 CHED C=C(CC(C)C)C(=O)Nc1cn(-c2ccccc2)nc1C 1349412451 APBYTSQJBGCZFH-UHFFFAOYSA-N 283.375 3.722 30 20 CHED CCC[C@H](CC(C)C)C(=O)O[C@H]1CC[C@H](C#N)C1 1357677013 PQCZZASXIQHUAC-MJBXVCDLSA-N 251.370 3.684 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)Cc2cccc(C#N)c2)c1 1458438265 KETXYNVQUJNTGW-OAHLLOKOSA-N 292.382 3.595 30 20 CHED CC[C@@H]1CCC[C@@H]1CNc1ccc(Cl)c(C#N)n1 1472786760 RGQWQZMYWUVKNA-GHMZBOCLSA-N 263.772 3.845 30 20 CHED COc1cc(CN(CC(C)C)c2ccc(C#N)cc2)ccn1 1473248382 QQZPGASPCHGALC-UHFFFAOYSA-N 295.386 3.624 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(Cl)cn1 1474163597 AAZKPWWDULRLJP-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=C(C)CCC(=O)OCc1ncc(-c2ccc(F)cc2)o1 1515242873 QWIFFKAEWNBAJD-UHFFFAOYSA-N 289.306 3.880 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(F)cc1C#N 1516236929 XSPLKIYNYVDMGO-UHFFFAOYSA-N 297.333 3.777 30 20 CHED CCc1ccc(CCC(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 1528082589 ZPEHHLSHSTVERV-IAGOWNOFSA-N 285.387 3.807 30 20 CHED N#Cc1cc(NC(=O)C2(c3ccccc3)CC2)c(F)cc1F 1535434976 JPLKWDGUQCWMDD-UHFFFAOYSA-N 298.292 3.507 30 20 CHED Cc1cc(F)cc(C)c1C(=O)N1CCc2ccc(C#N)cc21 1535924525 KTGZAKHEHVFZIA-UHFFFAOYSA-N 294.329 3.517 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1ccc(C#N)cc1F 1539827490 ZINGODHABUFHPF-CHWSQXEVSA-N 296.345 3.619 30 20 CHED C=C(C)CCS[C@H](C)c1ccc(-c2nn[nH]n2)cc1 1588424112 GDKFYCFENSOOPU-LLVKDONJSA-N 274.393 3.627 30 20 CHED C=CCC1(CN[C@@H](C)c2ncc(C(=O)O)s2)CCCC1 1588767153 LXLWIENNTGLOOL-NSHDSACASA-N 294.420 3.628 30 20 CHED C=CCCCCCOC(=O)C12CCC(C(=O)O)(CC1)CC2 1588799715 BYVPDKHVTLXRCJ-UHFFFAOYSA-N 294.391 3.701 30 20 CHED CCC(CC)CN(CCC#N)C[C@H]1CCCC[C@H]1C(=O)O 1595111617 QNLRSKWINARSPP-HZPDHXFCSA-N 294.439 3.529 30 20 CHED CSc1ccc(N[C@H](C)CC(C)(C)C#N)cc1C(=O)O 1599820756 LNPJRMUXOOGLDK-SNVBAGLBSA-N 292.404 3.847 30 20 CHED N#Cc1cc(NCc2csc(C(=O)O)c2)ccc1C1CC1 1608197457 AJHHYPFSECOFIX-UHFFFAOYSA-N 298.367 3.807 30 20 CHED Cc1nc(C#N)cc(NC[C@@H](c2ccccc2)C(C)C)n1 1611779484 KBZLHJLPDKOVET-MRXNPFEDSA-N 280.375 3.508 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1cccc(F)c1C#N 1612516261 JUTKFJNDQWHOEK-GFCCVEGCSA-N 279.318 3.766 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CC(C1CCC1)C1CCC1 1626862553 JPLLOMUARURVBM-OAHLLOKOSA-N 276.424 3.744 30 20 CHED C=C(Br)CN[C@H]1CCC[C@H]1CCCC 1642621689 ZGIUSOMYOUKJOZ-NEPJUHHUSA-N 260.219 3.844 30 20 CHED Cc1cc(Oc2ccc(F)c3c2C(=O)C[C@@H]3C)ncc1C#N 1649590919 UJVVYFHLZNQJHI-JTQLQIEISA-N 296.301 3.883 30 20 CHED N#Cc1cnc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 1651815422 YYJWFVXHIGDSLP-DZGCQCFKSA-N 299.324 3.980 30 20 CHED C[C@@H]1CCC[C@@H](CN2CCN(c3ccc(C#N)cc3)CC2)C1 1654541822 YXIPGJNBQUWKEG-SJLPKXTDSA-N 297.446 3.507 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)c1ncc(C#N)cc1F 1655191630 GWDAHJRPJJKDFH-HNNXBMFYSA-N 283.350 3.550 30 20 CHED CC[C@H](NC(=O)Nc1ccc(F)cc1C#N)[C@H]1CC1(C)C 1669604602 CUQSYWQUYXRUGP-OLZOCXBDSA-N 289.354 3.644 30 20 CHED Cc1c(NN=Cc2cccc3c2CCC3)cccc1C(=O)O 1776088412 KHPOBCYKMKWUIU-UHFFFAOYSA-N 294.354 3.628 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 6596510 SZHDEJJWNSUEOA-INIZCTEOSA-N 279.343 3.831 30 20 CHED CC(C)Oc1ccc(NC(=O)C2(C#N)CCCC2)c(F)c1 52021206 PLLXWDIHGLAUEU-UHFFFAOYSA-N 290.338 3.635 30 20 CHED C[C@H]1CCC[C@@H](N(C)Cc2ccc(F)cc2C#N)C1 343731022 YRTDQWGWTHVWNG-BLLLJJGKSA-N 260.356 3.708 30 20 CHED CC(C)CN(CC(F)(F)F)C(=O)Nc1cccc(C#N)c1 51558692 CKKJJRLQSRBIJD-UHFFFAOYSA-N 299.296 3.610 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C/c1ccccc1 56475659 XKNUJJSGNIKZAK-PKNBQFBNSA-N 292.338 3.609 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CC=CCC1 173041907 GIGQSPKRUJGGHQ-AWEZNQCLSA-N 283.375 3.675 30 20 CHED N#CCCCOC(=O)CCSc1ccc(Cl)cc1 58817548 AEUICRVHDYZSAI-UHFFFAOYSA-N 283.780 3.669 30 20 CHED C#CCCCNC(=O)N[C@H](CC)c1cccc(Cl)c1 174077500 QRJNZFMSMMFNNW-CQSZACIVSA-N 278.783 3.504 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCc2c(C)cccc21 105290974 LFHYPPPHMNIZJA-MRXNPFEDSA-N 272.392 3.590 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 177632131 ISCDONOIZCPVBG-KUHUBIRLSA-N 294.398 3.998 30 20 CHED C=C[C@H](C)NC1CCN(Cc2c(F)cccc2Cl)CC1 119368736 NAFUPIJULVGMKF-LBPRGKRZSA-N 296.817 3.608 30 20 CHED C=CCSc1nc2ccccc2c(=O)n1C1CCCC1 26947460 KDEYJOXSRVYMHY-UHFFFAOYSA-N 286.400 3.790 30 20 CHED C=CCOc1ccc(OCc2csc(C)n2)cc1 174232724 LWFOKCVELSFPTK-UHFFFAOYSA-N 261.346 3.595 30 20 CHED Cc1c(C(=O)OCCCC#N)cccc1-c1ccccn1 179417899 POXDEPKRFJCYRV-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(N2CCCC2)cc1 62996644 NSPHOPJGSXMEDI-UHFFFAOYSA-N 285.391 3.555 30 20 CHED N#Cc1cc(Cl)cc(OCc2csc(Cl)n2)c1 310383296 PVUVPBUGKAJHRH-UHFFFAOYSA-N 285.155 3.901 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C/C1CCCCC1 117634834 YODJFFQDQNLHGQ-MDZDMXLPSA-N 268.360 3.942 30 20 CHED C[C@H](CC#N)N[C@H](C)c1ccc(OC(F)(F)F)cc1 68482344 OPSYVKRUZKUWJA-NXEZZACHSA-N 272.270 3.538 30 20 CHED CC(C)Oc1ccc([C@H](C)Nc2cccc(C#N)n2)cc1 301807851 AQUZWLKEIFGKNF-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C=CCCCC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 175230554 NXXOHLGQRCQGSE-INIZCTEOSA-N 289.375 3.539 30 20 CHED C=CCCCCCN(C)C(=O)CC[C@H]1CC[C@@H](C)O1 174310445 NYXUDSILAPYFBD-HUUCEWRRSA-N 267.413 3.539 30 20 CHED Cc1cccc2c(CCNCc3ccc(C#N)s3)c[nH]c12 176975256 XEASPHMONLGUCI-UHFFFAOYSA-N 295.411 3.742 30 20 CHED COc1ccccc1CSc1c(C#N)cccc1C#N 302887000 NKJWHEKQBCZGDN-UHFFFAOYSA-N 280.352 3.731 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)nc1 179122508 SKQZRBAOKPFHEQ-SNVBAGLBSA-N 289.741 3.597 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H](Cc3ccccc3)C2)nc1 302485673 IBBAZKCYTQTYDI-NVXWUHKLSA-N 277.371 3.777 30 20 CHED C=CC1CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 173314210 WVPYRVSFZSZOJH-CQSZACIVSA-N 289.394 3.819 30 20 CHED CCCCC1CCC(C(=O)N(C)C2(C#N)CCC2)CC1 66322393 HFYJPIKAVPHWOI-UHFFFAOYSA-N 276.424 3.888 30 20 CHED CCc1ccc(N/C(N)=N/Cc2ccccc2Cl)cc1 303707400 MHHFDOUZORFOGX-UHFFFAOYSA-N 287.794 3.829 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCc3ccoc3)c2c1 174698835 DXKVEKLHLILQSV-UHFFFAOYSA-N 277.327 3.928 30 20 CHED COc1cc(C#N)ccc1NCc1ccc2c(c1)CCC2 127960883 ZFANMUIAZRWEAT-UHFFFAOYSA-N 278.355 3.668 30 20 CHED C=CCc1ccc(OCc2c(C)noc2C)c(OC)c1 66059747 LOLMSWYOXSJXEZ-UHFFFAOYSA-N 273.332 3.608 30 20 CHED C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccccc1C#N 175039216 AYJAELLWMVSOJN-CYBMUJFWSA-N 296.345 3.905 30 20 CHED CCSCC[C@@H](C)N(C)c1ccc(C#N)cc1F 301739988 KBSUQOZJEMTOAD-LLVKDONJSA-N 266.385 3.665 30 20 CHED C[C@H](NCc1cc(C#N)cs1)c1cccc(F)c1F 121923677 VYTUKVQNMSQNCM-VIFPVBQESA-N 278.327 3.749 30 20 CHED Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc(C(C)C)n1 37502114 QWHBYRQTLZLYKI-ZDUSSCGKSA-N 280.375 3.953 30 20 CHED C=C(C)CN(C)Cc1cc(Cl)cc2cccnc12 181330665 CCPMPEMXCYEJFB-UHFFFAOYSA-N 260.768 3.896 30 20 CHED C#CCCCCC(=O)N(C)c1ccc(C)c(Cl)c1 120145725 ZBYVVVUPHRBTBQ-UHFFFAOYSA-N 263.768 3.805 30 20 CHED CC[C@@]1(C)CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 128225365 GXCCVXJYSAHGNX-INIZCTEOSA-N 290.794 3.864 30 20 CHED COc1ccccc1-c1ccc(CNC[C@H](C)C#N)cc1 183839529 VRYXZYVBOCXCFS-CQSZACIVSA-N 280.371 3.611 30 20 CHED CC(=O)c1ccc(OCCOc2ccc(C#N)cc2)c(C)c1 77166573 BAAYYOAXQWDVID-UHFFFAOYSA-N 295.338 3.527 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 507180332 IRWRDAUUCYLHDK-INIZCTEOSA-N 294.373 3.995 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)cc1F 120924121 QNQZHMVMTXKEPC-GORDUTHDSA-N 290.265 3.575 30 20 CHED CC[C@H](C#N)Sc1nccn1-c1ccc(OC)cc1C 187959166 DDLRLEFNJMABOO-CYBMUJFWSA-N 287.388 3.584 30 20 CHED CC[C@@H](CC(=O)Nc1ccccc1O[C@@H](C)C#N)C(C)C 182034172 OCXNTGBOHSLBHC-KBPBESRZSA-N 288.391 3.988 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)N(CCC#N)CC1CC1 125136116 PQYKICLYVJRUIJ-HNNXBMFYSA-N 276.424 3.745 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccccc1OC(F)F 489412821 XJGIFUWDNSKXRG-CYBMUJFWSA-N 267.319 3.829 30 20 CHED C=CCC[C@H](Nc1ccc(NC(C)=O)cc1)C1CC1 181954439 BKALWZSFUFKLQX-INIZCTEOSA-N 258.365 3.802 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H]2CCC[C@@H]2C)s1 186657855 GGFXTAUVXRDJHK-QWRGUYRKSA-N 276.405 3.947 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H](Cc2ccccc2)C2CC2)C1 185833655 YQQLQFKIQKWAMD-SZMVWBNQSA-N 268.404 3.680 30 20 CHED Cc1noc(C)c1CSCc1cc(F)ccc1C#N 122237646 DBRNSQNDDVWJOJ-UHFFFAOYSA-N 276.336 3.736 30 20 CHED C[C@H](NC(=O)c1sccc1C1CC1)c1cccc(C#N)c1 75268207 HTQUNDKPXVYYEP-NSHDSACASA-N 296.395 3.988 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Cc1ccc(C)cc1 410126160 WAGGYWHDJBCJLU-ZBFHGGJFSA-N 259.393 3.645 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F 211341181 ZTBSACGBNKMFGD-BAQGIRSFSA-N 289.237 3.769 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 188911030 OQKLGYOOQKJEFJ-AEFFLSMTSA-N 286.419 3.692 30 20 CHED CC[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(C#N)cc1 414310721 LLFXJEQSZMTIGA-OWCLPIDISA-N 260.356 3.880 30 20 CHED CCCOc1ncccc1CN[C@@H](C)c1cccc(C#N)c1 181581087 YVDYBZNCAVGVSI-AWEZNQCLSA-N 295.386 3.593 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC1CC(OCC)C1 505546255 DBFYKSYXBYTHEY-UHFFFAOYSA-N 290.403 3.926 30 20 CHED C=CC[C@@H](C(=O)NCCOc1ccccc1)c1ccccc1 186167633 XIIICIMVCGHWFH-GOSISDBHSA-N 295.382 3.542 30 20 CHED Cc1ccc(CNc2ncccc2OCCCC#N)c(C)c1 184289575 OMCRQQSZSIOWMX-UHFFFAOYSA-N 295.386 3.993 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cc(-c3ccccc3)on2)C1 185806923 LDYXSIZOXCIDBG-UKRRQHHQSA-N 281.359 3.514 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc(Cc2ccccc2)cs1 186138756 QIXJDSBWYYEMIO-UHFFFAOYSA-N 298.411 3.722 30 20 CHED C=CCN(C)C(=O)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 413758971 PGOMOMKHLGORRW-HYVNUMGLSA-N 286.419 3.786 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)c1ccccc1Cl 42230081 KAJDUINKZWCHHQ-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CN(C(=O)NCCCCC#N)[C@H]1CCC[C@H]1C(C)(C)C 419452279 GJMDCWVDFJTLFS-KGLIPLIRSA-N 279.428 3.536 30 20 CHED CN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1 504573178 RQMKRUWGUBWZAP-UHFFFAOYSA-N 296.345 3.638 30 20 CHED Cc1cccc(NC(=O)NCCc2cccc(C#N)c2)c1C 500217651 PVPYSVNNPIHTAE-UHFFFAOYSA-N 293.370 3.539 30 20 CHED C=CCN(Cc1cccs1)[C@@H](C)c1nc(C2CC2)no1 411129825 CFVPTPFWSJZINR-NSHDSACASA-N 289.404 3.758 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCCc1nc2ccccc2[nH]1 134983006 MAQVMJHRGXNARZ-SFHVURJKSA-N 299.418 3.556 30 20 CHED Cc1ccc(-c2n[nH]c(S[C@H](C)CCC#N)n2)cc1 412985487 SVACYTQOTOSKJU-LLVKDONJSA-N 272.377 3.565 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCC1CC(F)(F)C1 419513674 MPISAFNOPSFLTO-LLVKDONJSA-N 291.407 3.578 30 20 CHED C=C(Cl)CSc1nncn1[C@@H](C)c1ccccc1 49517478 KMVXOLGOEZGCTD-NSHDSACASA-N 279.796 3.732 30 20 CHED N#Cc1ccc(/C=C/c2ncc(Br)s2)cc1 193050994 NFZNWRUDTMZSMP-AATRIKPKSA-N 291.173 3.948 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)cc1F 503586151 IEGQQNNSLMUFFG-GFCCVEGCSA-N 286.325 3.730 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2cc(C#N)cs2)c1C 84112045 ABJZDYWOAAMKRV-LBPRGKRZSA-N 284.384 3.728 30 20 CHED O/C(=N/[C@@H]1CCCC(F)(F)C1)Nc1cc(C2CC2)ccn1 329554393 GSJQZZWGGTYLLE-GFCCVEGCSA-N 295.333 3.863 30 20 CHED CC1(C)[C@@H](N[C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccccc1 424332858 TWSLPYGRGNLUSS-ORQFMDKSSA-N 268.404 3.851 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3cccc(F)c3)C2)cc1 513472554 HGLXCQAAKDBOER-KRWDZBQOSA-N 280.346 3.687 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1OCC(C)C 193753612 MDBQQPYDUBQCFR-UHFFFAOYSA-N 288.391 3.927 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccsc1 194614437 BBFRECSVZGMKCV-OWOJBTEDSA-N 265.315 3.614 30 20 CHED CC(C)(C#N)CCC[S@](=O)c1ccccc1Cl 87611176 BGEUEOMIFVMPKO-QGZVFWFLSA-N 269.797 3.778 30 20 CHED C=CCCCCCNc1cccc(C[S@](C)=O)c1 195449078 UQOPFEZSWNYYNS-SFHVURJKSA-N 265.422 3.723 30 20 CHED CC[C@H]1CCCN1c1ccc(C#N)c(Br)c1 228179367 VZDYRNLIQGLGDM-NSHDSACASA-N 279.181 3.700 30 20 CHED C#CCSCCN[C@@H]1C[C@H](C)Sc2sccc21 222117203 YVDJZNPSAVEKOP-CMPLNLGQSA-N 283.487 3.630 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N2CCC[C@H]2C)c1C1CC1 328951688 XIRBGGKBQUYBCO-VXGBXAGGSA-N 290.411 3.761 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H](C)C2CCCCC2)C1 328828308 IVJOTJDLTCAPDV-LOWVWBTDSA-N 266.385 3.667 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(F)cc2Cl)cn1 130038258 GBABAZMPEZLOQL-GQCTYLIASA-N 278.714 3.592 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2nncn2CC)c1 134935505 CDIUPQQWSGEALE-QGZVFWFLSA-N 298.390 3.506 30 20 CHED C=CCCCCCSCc1nc(C2CC2)n[nH]1 192549372 LSOPUQNMPIZFAO-UHFFFAOYSA-N 251.399 3.662 30 20 CHED CN(C[C@@H]1CCCCO1)c1ccc(C#N)c(C(F)(F)F)c1 48950200 MEJZYAVINNRRJN-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED CCCC[C@@H](CC)/C(O)=N/S(=O)(=O)c1ccc(C)cc1 46927406 PKIYAGLNKLTZHY-CYBMUJFWSA-N 297.420 3.857 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(OC)c(OC)c2)no1 426396848 PILLLHVQBLXBNF-UHFFFAOYSA-N 288.347 3.608 30 20 CHED CC(C)(C)Oc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 429927609 CEZZQZDFMFYOEG-UHFFFAOYSA-N 294.354 3.988 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 89269279 GZECSRQFGJNWJQ-HOTGVXAUSA-N 299.761 3.549 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1cc(C#N)cs1 84112564 OWXCLZYFUJXPPI-SNVBAGLBSA-N 264.394 3.564 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N(C)CC(C)(C)C 425219180 GGGGHTUVWYUDMK-ZDUSSCGKSA-N 287.407 3.649 30 20 CHED N#Cc1c(F)cccc1COc1cccc2cccnc12 427559507 MQRSLMHUWFFQQI-UHFFFAOYSA-N 278.286 3.825 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc2[nH]ccc12 337798631 HAYODKNVKBXGBN-UHFFFAOYSA-N 275.311 3.600 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCCOC(F)F)c1 193617108 CAYRGAZYBAOVLM-UHFFFAOYSA-N 294.223 3.618 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)C1CCC(C)CC1 337756595 MCUOPQWMGVCZRY-UHFFFAOYSA-N 270.376 3.517 30 20 CHED CCOc1cc(C#N)ccc1OCc1cc(F)ccc1C 97849379 LYANHRURQUPMQQ-UHFFFAOYSA-N 285.318 3.984 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCc3cc(F)ccc32)CC1 336214465 UTLJDZOCVLFLJN-ARWYELJZSA-N 272.367 3.875 30 20 CHED CC(C)CCCNCc1ccc(O[C@@H](C)C#N)cc1 236697966 OCMVAUFJOAWFHU-AWEZNQCLSA-N 260.381 3.503 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 331907300 YBWKAMNACUMHSL-HOCLYGCPSA-N 283.375 3.663 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@H]2CCCF)CC1 510728451 AOLRRZZUNCLNEC-DOTOQJQBSA-N 282.447 3.535 30 20 CHED CC[C@@](C)(/N=C(/O)c1ncccc1C)c1nc(C)cs1 331178907 YFIDCNBEQFVJNG-OAHLLOKOSA-N 289.404 3.785 30 20 CHED CN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCC(C)(C)C1 336132584 UKEZZUPJTBOWSM-HNNXBMFYSA-N 285.391 3.795 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C1CC1)[C@H](C)c1ccco1 337869949 NASMFIJWTCWQMN-CYBMUJFWSA-N 294.354 3.826 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccnc1-c1ccccc1 339110324 MJALHFJDWHCYCT-CYBMUJFWSA-N 281.359 3.835 30 20 CHED C[C@H]1Oc2cc(F)ccc2[C@@H]1NC1CCC(C)(C#N)CC1 336219290 KNNGZLKGZMFKHI-QQBRFCFWSA-N 288.366 3.710 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(C(F)(F)F)cc1 435747279 GFSOMXSGVLPXDX-DZGCQCFKSA-N 299.336 3.776 30 20 CHED C=CCN(C(=O)Nc1ccc(F)c(C2CC2)c1)C1CC1 439795246 RBEWOAXSCDARMU-UHFFFAOYSA-N 274.339 3.885 30 20 CHED CC1(CNc2cc(C#N)ccc2C(F)(F)F)CCOCC1 337242253 BKALGMSOMYZNNH-UHFFFAOYSA-N 298.308 3.806 30 20 CHED C[C@]1(CNc2cccnc2C#N)C[C@@H]1c1ccccc1 338743720 RJBNOUKFEDEXIK-RHSMWYFYSA-N 263.344 3.559 30 20 CHED C[C@H](C#N)Oc1ccc(CN(CCC#N)CC(C)(C)C)cc1 93101158 UNVIKPUWGSXBAV-OAHLLOKOSA-N 299.418 3.739 30 20 CHED N#Cc1ccc(C(=O)NC2CCC3(CCCCC3)CC2)[nH]1 347123267 HEZITVKWAKYLJP-UHFFFAOYSA-N 285.391 3.509 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ncccc1F 528036882 ZKPUNZWOJGDIQN-NEPJUHHUSA-N 269.323 3.504 30 20 CHED N#Cc1cnccc1/C=C/c1nc2ccc(F)cc2s1 349114132 UHXCHNMLBCOYJI-DAFODLJHSA-N 281.315 3.872 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)CCC2 521542664 XXGLTVIXLXVTRQ-BOFPYLFWSA-N 296.414 3.853 30 20 CHED CC(C)(CCC#N)CN[C@H]1CSCCc2ccccc21 348206904 MWCMDGRQVFKJMB-INIZCTEOSA-N 288.460 3.937 30 20 CHED N#Cc1cccc(SCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 248688820 IKAAALIIIDQKHP-WHOFXGATSA-N 271.385 3.656 30 20 CHED N#CCc1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1 340136394 KLDXWHCMLSVPEW-UHFFFAOYSA-N 286.281 3.943 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 524194452 BCOWLIAWBWURNN-GJZGRUSLSA-N 289.419 3.967 30 20 CHED C[C@H]1CCCN(C(C)(C)CN[C@H](C)c2cccc(C#N)c2)C1 245937861 UIBRVKSNCGJYKU-JKSUJKDBSA-N 299.462 3.719 30 20 CHED CC[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 245885845 AFQGKPKLJLOJHM-USWWRNFRSA-N 297.185 3.515 30 20 CHED N#Cc1ccc(SCC#Cc2ccc(F)cc2)cc1 433371391 LLOHFMFGZYVUJJ-UHFFFAOYSA-N 267.328 3.841 30 20 CHED CCC(CC)c1cc(CNC[C@@H](C)CCC#N)on1 602556928 GWPQSMCWMCQCTL-LBPRGKRZSA-N 263.385 3.608 30 20 CHED CCCCCn1cc(CNCC(C)(C)CCC#N)c(C)n1 348349349 ZOFZRXQHRXHUDN-UHFFFAOYSA-N 290.455 3.801 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2cccc(OCCCC#N)c2)[C@@H]1C1CC1 528058381 ZLGUZNKXNYSFHL-ZLIFDBKOSA-N 298.386 3.600 30 20 CHED Cc1ccn(-c2ccc(NCCC(C)(C)C#N)cc2)n1 345359022 WZVWWWVHWOIEFH-UHFFFAOYSA-N 268.364 3.533 30 20 CHED N#CCC[C@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 343336834 ZFBKWNGECKCMJW-RLNQZENFSA-N 296.414 3.974 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1Cc1ccccc1C 604900837 POMAHIKGKYYKRR-RDJZCZTQSA-N 286.419 3.676 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(F)ccc1-c1ccoc1 349873908 DXEJTDPECAOMAJ-NSHDSACASA-N 273.307 3.780 30 20 CHED Cc1c(CNC[C@H](C)CCC#N)oc2ccc(F)cc12 602522322 USDDLVNXQMDOKE-LLVKDONJSA-N 274.339 3.910 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cccc(C)c1 346887374 CDHZTRNRVIKGLB-UHFFFAOYSA-N 279.343 3.551 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)Nc2c[nH]nc2C#N)cc1 602365831 UAOVMKVMEWPHCI-LBPRGKRZSA-N 296.374 3.537 30 20 CHED N#Cc1csc(CNC2CCc3ccccc3CC2)c1 449595526 ULOPGFLSVKQFTL-UHFFFAOYSA-N 282.412 3.657 30 20 CHED CCCCOc1cccc(CNC[C@@H](C)CCC#N)c1 602517331 YTHHAXUWJJXRDJ-HNNXBMFYSA-N 274.408 3.895 30 20 CHED COc1cccc2c1CC[C@@H]2NCc1ccc(C#N)c(C)c1 443993836 BUBQIFPCBDSCLJ-SFHVURJKSA-N 292.382 3.652 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)[C@@H](C)c1ccccc1 449548636 PDHSCRCBZDSBAU-SRABZTEZSA-N 259.393 3.502 30 20 CHED C=CCCCCCN(C)C(=O)CO[C@@H]1CCC[C@@H](C)C1 523510879 HDAVTJIZSHLXPT-HZPDHXFCSA-N 281.440 3.787 30 20 CHED C=CCCN(C)C(=O)c1ccc(-c2ccsc2)nc1C 342009771 JKNFITNLAINDLX-UHFFFAOYSA-N 286.400 3.767 30 20 CHED N#Cc1ccc(CNCCc2ccc3[nH]ccc3c2)c(F)c1 441191872 APSVFZLMVKGZFD-UHFFFAOYSA-N 293.345 3.511 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2cccs2)cc1 255232625 CMYOZYGXRNOURB-OJIASSBASA-N 283.352 3.935 30 20 CHED N#Cc1cccc(CN2CCCSc3ccc(F)cc32)n1 602668220 CRGRWMMYXRGHQM-UHFFFAOYSA-N 299.374 3.595 30 20 CHED COCc1cc(C#N)ccc1NCCCC(C)(C)COC 603376243 MFRMDXSYADEWNP-UHFFFAOYSA-N 290.407 3.569 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@H](C#N)c2ccccc2F)C1 355962480 LBTPZQVXMVBVHS-LMOYCYGVSA-N 288.366 3.579 30 20 CHED CCCCn1ncc(N[C@@H]2CC[C@H](C#N)C2)c1C(C)C 442857038 DWMZUKDVCXZQRS-UONOGXRCSA-N 274.412 3.911 30 20 CHED CC[C@@H](CC#N)NCc1cnc(-c2ccccc2F)s1 449243989 OPJLNJISTYCOSV-NSHDSACASA-N 289.379 3.731 30 20 CHED C=CCCCCNC(=O)N[C@@H](c1nc(C)cs1)C1CC1 351680905 WIJWYTCDKFTJJR-CYBMUJFWSA-N 293.436 3.558 30 20 CHED COC1CCC(C)(CNC2CCC(C)(C#N)CC2)CC1 449295791 VEZBLEGUTLWNBP-UHFFFAOYSA-N 278.440 3.644 30 20 CHED C[C@H](CN(C)Cc1cccc(C#N)c1F)c1ccccc1 539237312 BSJVZQDOKVQYEL-CQSZACIVSA-N 282.362 3.933 30 20 CHED C=C(C)CN(CCOC(C)(C)C)Cc1cnn(C(C)C)c1 352899778 DUXOBJQDYXVWNW-UHFFFAOYSA-N 293.455 3.657 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccc(CC)n1 449100816 XPQAUEROXKTECP-UHFFFAOYSA-N 286.400 3.534 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1cccc(C#N)c1)C1CC1 264226032 WWFOLXWFFWJRNW-OLZOCXBDSA-N 270.376 3.597 30 20 CHED C=C(CNC(=O)Nc1c(C)noc1C1CC1)c1ccccc1 350631331 HCJIDEXGPKPWGU-UHFFFAOYSA-N 297.358 3.695 30 20 CHED Cc1cc(C)cc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 618739745 RIFFXZPCVUGNHM-GOSISDBHSA-N 290.366 3.592 30 20 CHED CC(C)Oc1cccc(CN2CCCC(C)(C)[C@@H]2C#N)c1 444719575 ATRUZHPVSIRKNF-KRWDZBQOSA-N 286.419 3.988 30 20 CHED CN(C(=O)c1cc2occc2s1)c1ccc(C#N)cc1 610982845 VRHSYKBOUXONBV-UHFFFAOYSA-N 282.324 3.643 30 20 CHED CCC[C@@H](C)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 269691583 ONAIPWWEDCTKLL-GDBMZVCRSA-N 287.407 3.861 30 20 CHED Cc1oncc1CN(CC(C)C)c1ccc(C#N)cc1 445808792 CFFBLTQVGKRKTL-UHFFFAOYSA-N 269.348 3.517 30 20 CHED CCN(C(=O)[C@H]1CC12CCC2)[C@H](C)c1ccc(C#N)cc1 610737318 MEMFBQPQLRWMMQ-CZUORRHYSA-N 282.387 3.658 30 20 CHED C=C(C)[C@H](CC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C)OCC 535134287 RSMPYNFIBRNJPH-UGUYLWEFSA-N 279.424 3.537 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1c(C)cccc1C 617177176 NRSBLUMHXKKEOZ-OAHLLOKOSA-N 257.377 3.933 30 20 CHED CC(C)(C#N)CNc1ncc(-c2ccccc2)s1 611617887 MTQVOLIMHZJFII-UHFFFAOYSA-N 257.362 3.772 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(F)c2)ccc1Cl 539785539 ZIXTVMMIOXNXCU-UHFFFAOYSA-N 274.682 3.603 30 20 CHED COc1ccccc1CNCc1ccc(C#N)c(Cl)c1 619748354 BFIDFZMBBRSAOF-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C[C@@H]1C[C@@H](CCN[C@H]2CCCc3cc(C#N)ccc32)CCO1 612421042 WBCOHIFCMVEMFV-VCBZYWHSSA-N 298.430 3.730 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc([C@H]2CCCC(C)(C)C2)no1 453174372 MYWFIBBXDSBPSS-XQQFMLRXSA-N 276.380 3.812 30 20 CHED N#CC1(COc2ccc(C(F)(F)F)cc2F)CC1 450927605 DEONRLKYXWRTTE-UHFFFAOYSA-N 259.202 3.527 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 544412811 UCLPVWBAIUQGDA-NSHDSACASA-N 276.767 3.686 30 20 CHED C[C@H](NCc1scnc1C1CC1)c1cccc(C#N)c1 618725782 FQILFZXHJUNSPD-NSHDSACASA-N 283.400 3.743 30 20 CHED CC[C@@H](O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 367770010 PXKQYOZURMDIJR-IFXJQAMLSA-N 294.398 3.647 30 20 CHED N#CCCCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 360247103 ZARUVRHZGKNAFD-HNNXBMFYSA-N 298.411 3.842 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H](C)CCc2ccco2)c1 273247317 VOMXAZNBWMAFOX-GFCCVEGCSA-N 282.343 3.787 30 20 CHED CC1(C)CN(CC2(C#N)CC2)c2cccc(Cl)c21 540549413 KZDPFPGETOMPQJ-UHFFFAOYSA-N 260.768 3.741 30 20 CHED C=CCC1(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CCCC1 450154546 ANSRBEUYIHVBDI-KZNAEPCWSA-N 295.426 3.825 30 20 CHED CC#CCN(C)C(=O)C(C)(C)c1cccc2ccccc12 452171862 UKJFHJPGYAFVRN-UHFFFAOYSA-N 279.383 3.599 30 20 CHED C[C@@H](c1ccccc1)N(Cc1cc(C#N)n(C)c1)C1CC1 276764292 NKCJOYJVCBLTEP-AWEZNQCLSA-N 279.387 3.622 30 20 CHED Cc1ccnc(N2CCC[C@@H](CC(C)C)C2)c1C#N 544063265 NGUIZQABGTVXPR-AWEZNQCLSA-N 257.381 3.524 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC2(CCCCC2)CC1 451088382 XVGOEBVLNVMBMN-CVEARBPZSA-N 291.435 3.587 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl 452529216 OPXBCWKMKKVTNN-OLZOCXBDSA-N 290.794 3.768 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cc(C)ccc1C 620861487 RWMLKTRJEKHWAM-UHFFFAOYSA-N 259.393 3.707 30 20 CHED C[C@H](C1CC1)N(C(=O)Nc1cccc(CC#N)c1)C1CC1 455917903 KGYAECIXGSGOJF-GFCCVEGCSA-N 283.375 3.547 30 20 CHED CC1(C)Cc2cc(/C=C/C(=O)c3cncs3)ccc2O1 276393532 SEBHJUVJOXMLLE-HWKANZROSA-N 285.368 3.753 30 20 CHED CCC[C@H](C#N)NC(=O)CCCCCc1ccc(F)cc1 547959956 XEOGEWINERXUEY-MRXNPFEDSA-N 290.382 3.737 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(N(CC)CCCC)cc1 465146300 LEVKXCQLCFKZIM-AWEZNQCLSA-N 274.408 3.617 30 20 CHED C[C@H](c1ccc(F)cc1)[S@](=O)CCC(C)(C)C#N 547484706 SRVLTMDOZILSGO-ADLMAVQZSA-N 267.369 3.575 30 20 CHED CCCCCCCOc1ccc(CN[C@H](C)C(=O)O)cc1 284344073 VNRLHRYFJARNFN-CQSZACIVSA-N 293.407 3.599 30 20 CHED C[C@@H]1CCC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 558493275 MVXFZUVGKWJPLY-PVUWLOKVSA-N 254.377 3.714 30 20 CHED C=CC[C@@H](CC)N[C@H](C)CC(=O)Nc1ccccc1C 281711648 TYYIYAUYFSPGBJ-HUUCEWRRSA-N 274.408 3.656 30 20 CHED CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)C#N 467817463 NFXPRTFEELOASJ-ZDUSSCGKSA-N 290.794 3.794 30 20 CHED CC#CCCCC(=O)N(CC(C)C)C(CC)CC 466434065 HYRZOZVDXNVOAX-UHFFFAOYSA-N 251.414 3.853 30 20 CHED CCc1ccc2occ(C(=O)N(CCC#N)CC3CC3)c2c1 285563535 JTPNUNWKNSZXFS-UHFFFAOYSA-N 296.370 3.761 30 20 CHED Cc1ccc(C#N)c(N2CCS[C@@H](c3ccccc3)C2)n1 371386116 WUWRYCKZFOQLHZ-MRXNPFEDSA-N 295.411 3.556 30 20 CHED C[C@@H]1CCN(C(=O)NCC(C)(C)CCC#N)CC12CCC2 377015963 QOFZWTXFQANEIV-CQSZACIVSA-N 291.439 3.538 30 20 CHED C=CCN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C 558169638 MKTKLOJHBWAGHT-HNNXBMFYSA-N 294.826 3.907 30 20 CHED C=CCC[C@@H](NC[C@@H](O)C(CC)CC)c1ccco1 552246381 SDFVVYNEBBVKAB-HUUCEWRRSA-N 265.397 3.674 30 20 CHED N#CC1(CCCSc2ccc(O)cc2)CCOCC1 280956437 JPVJXMANIUAASH-UHFFFAOYSA-N 277.389 3.585 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@]12CCC(C)(C)C2 639403351 GSGYKOSYRQAUEY-QGZVFWFLSA-N 270.376 3.647 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCCc2nc(C)sc21 281488867 GEYDKRHFWZVNQP-WCQYABFASA-N 250.411 3.773 30 20 CHED C=CCNc1cccc(Oc2ccc(C#N)cc2)c1 554162623 CVOYEWRBIDLHAW-UHFFFAOYSA-N 250.301 3.948 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc2ccccc2c1O 386727011 UDEHMJKRPIQNDZ-UHFFFAOYSA-N 296.370 3.557 30 20 CHED C[C@@H](C#N)OCCN1Cc2ccccc2-c2ccccc2C1 801917244 VXLUSNPGBIGKDM-HNNXBMFYSA-N 292.382 3.598 30 20 CHED C=CCCCCCCCCN1C(=O)CN(C(C)C)C1=O 806673353 FZZQADNHAPDOGL-UHFFFAOYSA-N 280.412 3.576 30 20 CHED C=CCCCCNC(=O)CCCOc1ccccc1Cl 471703394 ZYLDXWFKHKVEGQ-UHFFFAOYSA-N 295.810 3.972 30 20 CHED CC(C)[C@H](NCCO[C@H](C)C#N)c1ccccc1Cl 801940064 UZIUSMXCMSLGKF-DOMZBBRYSA-N 280.799 3.555 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2ccccc2OC)C1 293083333 FFEARXUZFNKYSM-AWEZNQCLSA-N 287.403 3.613 30 20 CHED C=C(CNC(=O)Nc1ccnc(Cl)c1)c1ccccc1 806379110 JLBJZTXNQPSPJF-UHFFFAOYSA-N 287.750 3.570 30 20 CHED N#C[C@]1(C(=O)N[C@H]2CCCc3ccccc32)CC12CCCC2 294248854 FMXGNOARWCAANO-LPHOPBHVSA-N 294.398 3.654 30 20 CHED CC(C)[C@H](C#N)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 701309322 RVRJCPKESCOQJB-SCOBNMCVSA-N 297.185 3.671 30 20 CHED C=CCCCC(=O)Nc1nc2c(s1)CCCCC2 479523083 PEXCYGTVRNPVOR-UHFFFAOYSA-N 264.394 3.707 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C/C(=C\C)CC)cc1 804140050 UHRRUVABSNKVJF-YUJVCWSTSA-N 285.387 3.780 30 20 CHED C=CCCCCCCNCc1cnc2ccc(C)cn12 808419496 SQPFLSZKLQVHIJ-UHFFFAOYSA-N 271.408 3.869 30 20 CHED C#Cc1ccc(CNc2cc(CN(C)C)ccc2C)cc1 809601377 YKIROTOTCWOETB-UHFFFAOYSA-N 278.399 3.650 30 20 CHED C#CCCCC(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 297095829 FQQWPAWMXMVVFN-DLBZAZTESA-N 269.388 3.585 30 20 CHED CO[C@H](CN(CCC#N)CC(C)C)c1ccc(Cl)cc1 801517492 HNLFWXLFHPWTSC-MRXNPFEDSA-N 294.826 3.899 30 20 CHED C=CCC(C)(C)C(=O)NCc1nc(C(C)(C)C)cs1 292944989 YBNNXCKESYNDGP-UHFFFAOYSA-N 280.437 3.659 30 20 CHED CC(C)(CCC#N)CNCc1c(O)ccc(Cl)c1F 808429354 JJIGERCIVGHKKM-UHFFFAOYSA-N 284.762 3.604 30 20 CHED CC(C)(C)Oc1cc(F)ccc1NC(=O)CCCC#N 291665088 HWTGVGMPDWPNCC-UHFFFAOYSA-N 278.327 3.635 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)NC1(c2cccc(C#N)c2)CC1 560842995 FWWJPRZKSVKLLH-HOCLYGCPSA-N 296.414 3.880 30 20 CHED C[C@H](CCC#N)N1CCO[C@H](c2ccc(F)cc2Cl)C1 299195983 DSTKQBWSGLJZAX-ABAIWWIYSA-N 296.773 3.545 30 20 CHED C[C@H]1/C(=C\c2cccc3nccn23)C(=O)c2ccccc21 809155588 AXHPMBJVZQBONQ-PILJQMSFSA-N 274.323 3.718 30 20 CHED C#CCN(C)C(=O)Nc1cc(C)ccc1Oc1ccccc1 801637628 KYELQOWGTDSRRZ-UHFFFAOYSA-N 294.354 3.884 30 20 CHED C=CCCN(OCc1ccccc1)c1cc(C)nc(CC)n1 804645603 UAIXBOQHHBHJQK-UHFFFAOYSA-N 297.402 3.862 30 20 CHED CC(C(=O)Nc1cc(C#N)ccc1NC1CC1)=C1CCCC1 803319537 IYQWWAGEPBSRGW-UHFFFAOYSA-N 295.386 3.962 30 20 CHED C=CCC(F)(F)c1nc(Cc2ccccc2CC)no1 645565674 XBUSQZQEMWCSAY-UHFFFAOYSA-N 278.302 3.891 30 20 CHED Fc1ccc(C=NOC2CCC2)c(C(F)(F)F)c1 812235308 RSRQVPOSLFJJEZ-UHFFFAOYSA-N 261.218 3.748 30 20 CHED C=Cc1ccc(CC/N=C\c2cccc(OC)c2O)cc1 812444779 NHJSEPJDIAHGDL-UYRXBGFRSA-N 281.355 3.705 30 20 CHED Cc1ccc(CNC[C@@H](C#N)CCC#N)c(OC(C)(C)C)c1 562458420 IXWWQFAVRJIKDH-OAHLLOKOSA-N 299.418 3.705 30 20 CHED CC(C)CCNc1ccc2c(c1)CCC(=O)N2CCCC#N 488559742 NNSVLMYDUACUBL-UHFFFAOYSA-N 299.418 3.728 30 20 CHED CC[C@@H](CC#N)NCCOc1cc(Cl)ccc1Cl 573814747 URUYSMBZPNRYKQ-NSHDSACASA-N 287.190 3.654 30 20 CHED C=CCC(C)(C)CNC(=O)C1(c2ccccc2C)CC1 489799294 IVWDNGXNJWLQOI-UHFFFAOYSA-N 271.404 3.745 30 20 CHED CCC(CC)CN(CC)C(=O)c1ccc(C#N)s1 486761878 MZQVZNCYKPXNMC-UHFFFAOYSA-N 264.394 3.518 30 20 CHED CCC(=NOCCOC(C)C)c1ccc(Cl)s1 812239818 FSLSQATYONGMEK-UHFFFAOYSA-N 275.801 3.957 30 20 CHED COc1ccc(F)cc1/C=C1\Oc2cc(F)ccc2C1=O 812241237 BDLJWBMNZAJFPI-CHHVJCJISA-N 288.249 3.590 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc2ccccc2n1CCC 815274091 IWZZQVGHEGHSSB-UHFFFAOYSA-N 293.317 3.596 30 20 CHED C/C(=C\C(=O)N[C@@]1(C#N)CC1(C)C)c1cccc(Cl)c1 813301086 XMRQKTWLYQRJPH-AYAUWGRQSA-N 288.778 3.552 30 20 CHED C[C@@H](CN(C)Cc1ccc(CC#N)cc1)c1ccccc1 576546121 LFZAPSBJGIFIQO-INIZCTEOSA-N 278.399 3.988 30 20 CHED C#CCCCCNC(=O)c1ccc(C2=CCCC2)cc1 810525807 VXGGEQBOYBBPJJ-UHFFFAOYSA-N 267.372 3.787 30 20 CHED N#Cc1ccnc(NCC(F)(F)c2ccc(Cl)cc2)c1 577641983 KMMOEMAJVKVJBH-UHFFFAOYSA-N 293.704 3.811 30 20 CHED C[C@@H]1SCCC1=NNc1ccc(C#N)c(Cl)c1 814901870 XWUGXRDAGNKJDZ-QMMMGPOBSA-N 265.769 3.505 30 20 CHED CC(C)CCC=NNc1nc2cc(F)c(F)cc2[nH]1 814795795 GXTKCAHWYCYJTA-UHFFFAOYSA-N 266.295 3.675 30 20 CHED CCc1ccccc1NN=Cc1cnc(C(C)(C)C)nc1 814801914 OWUQSDVKYDZJQM-UHFFFAOYSA-N 282.391 3.783 30 20 CHED C=CCC1(NCc2nccn2C(C)C)CCCCC1 657483635 NDCAUQKLRGAOFF-UHFFFAOYSA-N 261.413 3.833 30 20 CHED C[C@@H]1CCC(=NNc2cc(Cl)nc(Cl)c2)C1 819828408 BTRWULKHPZYSOT-SSDOTTSWSA-N 258.152 3.976 30 20 CHED CC(=O)Nc1ccc(/C=C2\CCc3sccc3C2=O)cc1 726891768 JPHKXEOYJQGQKN-JLHYYAGUSA-N 297.379 3.919 30 20 CHED C=C(Cl)CNC(=O)c1cc2cc(C)ccc2s1 810421889 VFRWZLVFUMXRIQ-UHFFFAOYSA-N 265.765 3.692 30 20 CHED CC#CCCN[C@@H](C)Cc1ccc(Br)cc1F 482167533 WCBXVOQUCGNJHU-NSHDSACASA-N 298.199 3.522 30 20 CHED C#CCCCCCc1nc(-c2ccc(SC)cn2)no1 817097450 QTSDXHYQCATADW-UHFFFAOYSA-N 287.388 3.590 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)cn1 728863507 VAYOGKGDXFIJFN-GOSISDBHSA-N 296.414 3.638 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)no1 488865992 FHJGRTOQZCUHLN-AWEZNQCLSA-N 282.343 3.522 30 20 CHED CC#CCCNC(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 483424057 VHCINDGSCRTANK-ZWKOTPCHSA-N 298.430 3.686 30 20 CHED Cc1ccc(C)c(NC(=S)N(CCC#N)CC2CC2)c1 728791190 BDIBUKYOAPMFKM-UHFFFAOYSA-N 287.432 3.626 30 20 CHED CC#CCCNCC1=Cc2cc(Cl)cc(Cl)c2OC1 499209604 FFXSEBNSSPXSNB-UHFFFAOYSA-N 296.197 3.772 30 20 CHED C=C(C)C(C)(C)C(=O)OCC(=O)c1ccc(SC)cc1 821445078 WEJMOOUQDLQBKF-UHFFFAOYSA-N 292.400 3.737 30 20 CHED C=CC[C@@H]1N(C(=O)NCCC(C)(C)F)CCCC1(C)C 666431056 HKBLAWNDSZCZHT-ZDUSSCGKSA-N 284.419 3.901 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](C2CCC2)C1 666432237 KAYCPNGWUPUGLL-UKRRQHHQSA-N 288.439 3.604 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)Cc1cccc(C)c1 726752689 PZZSYQFEZVEKNP-UHFFFAOYSA-N 296.366 3.880 30 20 CHED CC(C)(C)n1cc(C=NNc2cccc3cnccc23)cn1 728432195 OQPUCXBTYGCZBX-UHFFFAOYSA-N 293.374 3.632 30 20 CHED C[C@]1(CC(=O)Nc2ccc(CC#N)cc2)CC1(Cl)Cl 822226692 DGOKGHIMTXUCTE-ZDUSSCGKSA-N 297.185 3.665 30 20 CHED C=CCCCC[C@@H](C)N[C@@H]1CCCc2nc(C)ncc21 823855158 ICOKCNZSNGESCT-CZUORRHYSA-N 273.424 3.887 30 20 CHED CCC(C)=NNc1ncnc2c1oc1ccccc12 725841613 JKGWTZNVRVWMLS-UHFFFAOYSA-N 254.293 3.574 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(OC(C)(C)C)cc1 903106389 OZLWKMPIINQHKS-CYBMUJFWSA-N 272.392 3.818 30 20 CHED CCOc1ccccc1-c1noc(CCCCCC#N)n1 589086092 GREGUKVZKIFERD-UHFFFAOYSA-N 285.347 3.762 30 20 CHED C=CCCCCN1CCC[C@](CO)(Cc2ccccc2)C1 581351381 KPOZHPKHNOEUKS-IBGZPJMESA-N 287.447 3.660 30 20 CHED Cc1c(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)cnn1C 588397096 ZIWLHFFIOZONDJ-ARJAWSKDSA-N 295.169 3.931 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)COC 664322010 ZENKSIWAYAEVND-LBPRGKRZSA-N 296.798 3.703 30 20 CHED C=CCSc1ccccc1C(=O)N=[S@@](C)(=O)C(C)C 906193871 DHCLXXVZNQFNMI-IBGZPJMESA-N 297.445 3.611 30 20 CHED CCCC[C@H](CC)CC(=O)N(CCC#N)CC(C)C 735271501 JLHMKFHEHNBEKE-HNNXBMFYSA-N 266.429 3.991 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(F)cc3ccoc23)C1 905929431 PGNRAZJTYBRSNN-MFKMUULPSA-N 287.290 3.811 30 20 CHED C=CCC[C@@H](Nc1cc(COC)ncn1)c1ccccc1 583584737 YTHPVDOGNXFESU-MRXNPFEDSA-N 283.375 3.742 30 20 CHED CCCCN(C)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 588960731 DIDYSKNAMIOVCZ-KXBFYZLASA-N 299.462 3.646 30 20 CHED N#CCSCCCSc1nc2ncc(Cl)cc2o1 901671398 DQTGEXLNFDPQID-UHFFFAOYSA-N 299.808 3.615 30 20 CHED C=C(C)[C@H](NC(=O)OC1CCC1)c1ccc(F)c(F)c1 831134714 AGINGYOPIWLOII-AWEZNQCLSA-N 281.302 3.861 30 20 CHED C=C[C@H](C)NCc1cn(Cc2ccccc2)nc1C(C)(C)C 678937599 POJCWSQQYCYKLS-HNNXBMFYSA-N 297.446 3.893 30 20 CHED CC[C@@H](NCc1ccnc(SC)c1)c1cccc(C#N)c1 902849094 FZKOOKQPDWAIFJ-MRXNPFEDSA-N 297.427 3.916 30 20 CHED C=C(Cl)CNC(=O)Nc1c(C)cc(C)cc1Cl 736953221 LROPUPAXLVLLKI-UHFFFAOYSA-N 273.163 3.831 30 20 CHED C=C(CNC(=O)c1ccc(Cl)cc1F)c1ccccc1 672480042 BITWEVUYLQQKPA-UHFFFAOYSA-N 289.737 3.922 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1oc(C)nc1C#N 731925720 SEXYRDJBJLPPCN-UHFFFAOYSA-N 282.347 3.584 30 20 CHED C#CC[C@@H](OC(=O)[C@@H](CC)CC(F)(F)F)c1ccccn1 835135018 ZZUGKFMLNKJLDF-WCQYABFASA-N 299.292 3.668 30 20 CHED CC(C)(C)c1cnc(CN2CCCc3cc(C#N)ccc32)o1 590601170 QRWFAOADUPXZDB-UHFFFAOYSA-N 295.386 3.797 30 20 CHED Cc1cc(C=NNc2ccccc2)c(C)n1C1CC1 916247398 VHPZIGMPJHUMHG-UHFFFAOYSA-N 253.349 3.886 30 20 CHED Fc1ccc2[nH]c3c(c2c1)C(=NNc1ccccn1)CCC3 914559889 WVGWBYSXYXPIQB-UHFFFAOYSA-N 294.333 3.855 30 20 CHED CCCCCCCC(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C 919222234 QHQLZZVKPBVZFY-HUUCEWRRSA-N 297.439 3.585 30 20 CHED CCc1cccc(CN2CCC(CCC#N)CC2)c1 592135182 SWPCGMGTVGPHRH-UHFFFAOYSA-N 256.393 3.765 30 20 CHED CCC[C@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 596164207 XMNTXABBRGCMQC-VIFPVBQESA-N 269.801 3.685 30 20 CHED CCC[C@H](C(=O)N(CC)CC#N)c1cccc(Cl)c1 599154860 NPXCZEMCUOWIDK-AWEZNQCLSA-N 278.783 3.596 30 20 CHED CC(=NNc1cccc(C#N)c1)c1c(C)nn(C(C)C)c1C 746488838 MEGWHQNNVTXBSS-UHFFFAOYSA-N 295.390 3.789 30 20 CHED CC(C)(C#N)CCCOC(=O)CC[C@H]1CC1(Cl)Cl 849876579 RUGRHULFIDTRGM-JTQLQIEISA-N 292.206 3.834 30 20 CHED CCC[C@H](NC(=O)CCCCCC#N)C1CCCC1 590924085 VKUQKXJVWZBBKT-HNNXBMFYSA-N 264.413 3.936 30 20 CHED CC(C)c1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1 598588294 HTAWTPNKMVKVLJ-QGZVFWFLSA-N 288.435 3.543 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc2c(c1)-c1ccccc1C2 749613648 WRAXUCCVUCNYOQ-IBGZPJMESA-N 290.366 3.680 30 20 CHED N#Cc1ccc(OCCCNc2ccccc2F)cc1 917803683 VFGFODMAEVOVIM-UHFFFAOYSA-N 270.307 3.578 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC12CCCCC2 594000683 JPWKWRJKQWUPLK-WMLDXEAASA-N 296.414 3.576 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC(C2CC2)C2CC2)cc1 742386367 BTPQCRFQQFIGEK-ZDUSSCGKSA-N 284.403 3.503 30 20 CHED N#CCCCCOC(=O)c1cc2c(s1)CCCCC2 912956127 NZYPFILLAZXNNY-UHFFFAOYSA-N 277.389 3.868 30 20 CHED C=CCCC(=NNc1cnc2ccccc2n1)C1CC1 747750726 DINZKJNIVPVSQG-UHFFFAOYSA-N 266.348 3.774 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1ccc(F)cc1CO 596646921 QTRAFRUTNDTOPK-UHFFFAOYSA-N 299.345 3.838 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N(C1CC1)[C@@H](C)C#N 598136825 KFTVUVHKBLVVHV-KBPBESRZSA-N 262.397 3.662 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)CCc2c(O)cccc21 742434754 MKITYZWXNGJMJF-FLIBITNWSA-N 286.277 3.883 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC[C@H](CC#N)C3)c2c1 596325913 PLNDNFWTRCTSEV-CQSZACIVSA-N 290.370 3.545 30 20 CHED Cc1ccc([C@H](C)N(C)C[C@H](O)CC(C)(C)C#N)c(C)c1 598585592 GOPARNMDHKEEAZ-JKSUJKDBSA-N 288.435 3.597 30 20 CHED Fc1ccc(F)c2c1CCC2=NNc1ncccc1Cl 749612821 SFGKIGDHACGNHV-UHFFFAOYSA-N 293.704 3.776 30 20 CHED Cc1ccc(NC(=N)NCC(C)(C)CCC#N)cc1C 849029026 XMPYZUJIFSPQPK-UHFFFAOYSA-N 272.396 3.570 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1ccccn1 917552070 NQHNLIMUHJMEHO-UHFFFAOYSA-N 265.360 3.797 30 20 CHED C=CCCOC(=O)CCOc1ccc2ccccc2c1 740216763 YYNJHYABGPKQJH-UHFFFAOYSA-N 270.328 3.728 30 20 CHED Cc1cc(C#N)ccc1CSCc1nc(C(F)F)no1 591626926 LNLHUWOGNDBZTP-UHFFFAOYSA-N 295.314 3.621 30 20 CHED Cc1cccc(O[C@@H](C)C/N=C\c2ccccc2O)c1 741845718 VUSDGMFDAOBFMV-HIXWQLQUSA-N 269.344 3.587 30 20 CHED Cc1cnc([C@H](N[C@@H](C#N)c2ccccc2)C2CC2)s1 595429529 FXLWWIGOCKPXEU-LSDHHAIUSA-N 283.400 3.757 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(N(C)C)cc2)c1 916346708 QAAIAAGECFXKIL-UHFFFAOYSA-N 267.376 3.815 30 20 CHED CCCCC(C)=NNC(=S)Nc1ccccc1F 915921031 LIROEQWMOWYJQD-UHFFFAOYSA-N 267.373 3.678 30 20 CHED C#CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 841330865 GIXHXBFYAUCXTM-QZTJIDSGSA-N 283.415 3.975 30 20 CHED COc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1C#N 742367280 PIIKPUMMMJPPQY-MLGOLLRUSA-N 296.370 3.573 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2cc(C#N)cn2C(C)(C)C)o1 744361415 AJCVFNSOTYTCIJ-LBPRGKRZSA-N 299.374 3.758 30 20 CHED C=C1CCN(C(=O)COc2cc(C)ccc2C(C)C)CC1 591062852 QTBJXIKMHDCKKB-UHFFFAOYSA-N 287.403 3.676 30 20 CHED Fc1ccc(C=NNc2cc(F)c(F)c(F)c2)cc1 747642932 YULQEFQRENNCEC-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C=CCNC(=O)[C@H](C)SCC[C@H]1CCc2ccccc21 596415564 LRELMACPIMPWAP-DZGCQCFKSA-N 289.444 3.530 30 20 CHED CCCCC[C@@H](C)CC(=O)N(CCC#N)CC(F)(F)F 748801363 AVEQMYRMKGQMLG-GFCCVEGCSA-N 292.345 3.897 30 20 CHED CCCn1cccc1C=NN[C@@H](C)c1ccccc1 920382824 PKCCMQQXZNTKQK-AWEZNQCLSA-N 255.365 3.583 30 20 CHED C=C(Br)CN1C[C@H](CC)Oc2ccccc21 743853130 SYEMANLVLUCFCX-NSHDSACASA-N 282.181 3.573 30 20 CHED Cc1noc(C)c1/C=C1\Cc2c(Cl)cccc2C1=O 921263599 HGLAPDKAGZEXLW-UXBLZVDNSA-N 273.719 3.767 30 20 CHED Cc1cc(CON=C(N)c2ccc(F)c(C)c2)c(C)s1 920401378 XRWWTZVEGZHGLW-UHFFFAOYSA-N 292.379 3.650 30 20 CHED C#CCCOc1ccc(C(=O)N(CC=C)C(C)(C)C)cc1 857653322 DFGGHWIMHMWKTQ-UHFFFAOYSA-N 285.387 3.515 30 20 CHED C=C(Cl)CSCC(=O)Nc1c(C)cccc1C 853782628 IGFCYGSOOGLACT-UHFFFAOYSA-N 269.797 3.728 30 20 CHED N#C[C@@H](OC(=O)c1ccc2c(c1)-c1ccccc1C2)C1CC1 751176690 HEFPZUHRHFFYPO-GOSISDBHSA-N 289.334 3.717 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1c(C)cccc1C)OCC 756472054 SUIMSJVCUZSTBA-MRXNPFEDSA-N 276.376 3.718 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)/C=C3\CC[C@H](C)C3)[nH]c12 753811371 ULSHXUQQXMGVMM-WSOPCDFXSA-N 293.370 3.794 30 20 CHED Cc1ccc(C(=O)/C=C\c2nc(Cl)cs2)c(O)c1 759085686 WUACYUHRRRGDCB-PLNGDYQASA-N 279.748 3.707 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1cc(F)cc(F)c1 755892535 WZEGGYKEIRCOBH-UHFFFAOYSA-N 296.708 3.553 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)SC 42847493 NDYBROBHGNKLOF-VIFPVBQESA-N 289.853 3.668 30 20 CHED C#CCCCOC(=O)CCC(C)(C)c1ccccc1 754531207 UQNTWNBHJISPPQ-UHFFFAOYSA-N 258.361 3.701 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NO[C@@H]1CCCCO1 755815169 OULSFRPDNJLNQL-MRXNPFEDSA-N 279.355 3.923 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)co1 752893084 ZZDWXLWTWCKPCC-ONEGZZNKSA-N 292.316 3.664 30 20 CHED Fc1ccc(NN=Cc2cnc([C@H]3CCCO3)s2)cc1 755472988 ZRDSEGORRLACQU-CYBMUJFWSA-N 291.351 3.580 30 20 CHED CC(C)O[C@@H]1CC(=NNc2ccc(Cl)cn2)C1(C)C 853438125 ZYXLOBFRQFBXAI-GFCCVEGCSA-N 281.787 3.726 30 20 CHED C=C[C@H](OC(=O)C[C@H]1CSCCS1)c1ccccc1 851451214 FTIAZLHVKHLEFC-KBPBESRZSA-N 294.441 3.696 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C=C1CCC1 755178978 VUHLRILIHKMCER-UHFFFAOYSA-N 282.387 3.653 30 20 CHED C#C[C@@H](CC)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 754389746 DSSRLRGXHHCJBD-YOEHRIQHSA-N 271.404 3.517 30 20 CHED C=CCC[C@H](C)NC[C@H](O)c1cccc2ccccc12 850517427 TYGSXPLLEQTFPP-KSSFIOAISA-N 269.388 3.818 30 20 CHED Cc1cc(NC(=O)N2CCC[C@H](C#N)C2)c2ccccc2c1 931598786 YUERFVDNROKACL-CQSZACIVSA-N 293.370 3.916 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(CC1CCC1)CC1CC1 935770607 HNPPNNMGQUIUMT-UHFFFAOYSA-N 282.387 3.519 30 20 CHED Cc1cc(CN(C2CC2)[C@H](C)C#N)ccc1N1CCCCC1 852481294 JJTDZAPHGXQQIK-MRXNPFEDSA-N 297.446 3.862 30 20 CHED COCC(=NNc1cccc(F)c1Cl)C(C)C 863159014 ZQFNKWMVOSNEEN-UHFFFAOYSA-N 258.724 3.549 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CCCOc2ccccc21 931362249 HWRBRSMSIDSSNH-UKRRQHHQSA-N 273.376 3.619 30 20 CHED CC[C@@H](C(=O)OCC1(C#N)CC1)C1CCC(C)CC1 764627183 GDZRKTKXCHRUCR-JXQTWKCFSA-N 263.381 3.686 30 20 CHED N#Cc1ccc(Sc2ncc(Cl)s2)cc1 765014643 PCXVAJYDCWMJHQ-UHFFFAOYSA-N 252.751 3.819 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)OCc1cccc(C#N)c1F 769179458 UQQOQOGUPWKDOK-NWDGAFQWSA-N 275.323 3.567 30 20 CHED CO[C@@H]1CCCCC1=NNc1c(F)cccc1Cl 769826734 IVEQOXBFIIBFBV-GFCCVEGCSA-N 270.735 3.836 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCC(C)(C)OC)cc1 766586248 WFNNPCCIGNQWGT-CYBMUJFWSA-N 297.826 3.894 30 20 CHED Nc1ncccc1C=NNc1c(Cl)cc(F)cc1Cl 767909214 FQKWFEATYQVPEP-UHFFFAOYSA-N 299.136 3.556 30 20 CHED COc1ccccc1[C@@H](C)N(CCCC(C)(C)C#N)OC 932547696 PYAKHRBJXKHFIQ-CQSZACIVSA-N 290.407 3.950 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccccc1N(C)C 769568530 ZSYNHGSGOKRZHD-UHFFFAOYSA-N 267.376 3.897 30 20 CHED COc1cc(F)cc(NN=Cc2cnc(Cl)c(C)c2)c1 760260239 LSJXAIRZZKCTGD-UHFFFAOYSA-N 293.729 3.637 30 20 CHED CCn1cc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)cn1 763288225 GOXFHWNJHYMJKH-SLVCOGOPSA-N 278.355 3.603 30 20 CHED COc1cc(OC(=O)CC2(C)CCCCC2)ccc1C#N 767158332 PZOHIOGABKQPRR-UHFFFAOYSA-N 287.359 3.833 30 20 CHED COc1ccc(F)cc1C(=O)OCCCCC(C)(C)C#N 768457683 BEAULKVPBJRPPB-UHFFFAOYSA-N 293.338 3.711 30 20 CHED CCOCCON=Cc1cc(C(F)(F)F)ccc1Cl 774418357 UMNSIJMGTGYQSM-UHFFFAOYSA-N 295.688 3.746 30 20 CHED C#CCCCCCC(=O)N1CCC(OCCC(C)C)CC1 779850719 MUIZXFGUQLLQFE-UHFFFAOYSA-N 293.451 3.624 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc2c(c1)-c1ccccc1C2 770950327 PAQKWGFIAYGVIR-LBPRGKRZSA-N 277.323 3.574 30 20 CHED Clc1ccc(Cl)c(NN=C2CCCOCC2)c1 770604587 BFYZGMHBJATHTI-UHFFFAOYSA-N 273.163 3.962 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1nc2ccccc2s1 877045972 HNINZTFKRLCGDE-VXGBXAGGSA-N 273.405 3.887 30 20 CHED C#CCCCCCC(=O)NCC[C@H](C)c1ccccc1 779890414 KGWLUTXESBSKFA-INIZCTEOSA-N 271.404 3.880 30 20 CHED C=C(CC)COC(=O)c1ccc(Br)s1 773423027 CUPOOXKEKBZNOA-UHFFFAOYSA-N 275.167 3.634 30 20 CHED Clc1ccnc(NN=C[C@H]2CCc3ccccc32)c1 777905303 DPQPSBDWYXUOMX-GFCCVEGCSA-N 271.751 3.863 30 20 CHED CCCCCCCOC(=O)c1csc2cncn12 777100739 NOZMQFZCWKLGKY-UHFFFAOYSA-N 266.366 3.523 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@H]2c2ccccc2)cc1 771939282 PJMDMSKNFZKGSF-KXBFYZLASA-N 292.382 3.924 30 20 CHED COc1cc(NC(=O)CC(C)(C)C#N)cc2ccccc12 887080050 INFMCCOUHCOZQD-UHFFFAOYSA-N 282.343 3.727 30 20 CHED C=C1CCC(C(=O)Nc2cn(C)nc2-c2ccccc2)CC1 889852674 UUNNETFKAMJMTR-UHFFFAOYSA-N 295.386 3.772 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1c(F)cccc1Cl 773159969 JGGFPJFLGJOPNL-XFFZJAGNSA-N 298.704 3.843 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1cnccc1C 771561159 SJMWURUFKGFYNB-UHFFFAOYSA-N 279.265 3.643 30 20 CHED C=CC(C)(C)CC(=O)N(CC(F)(F)F)C1CCC1 889373019 RJZGSXDBBWBWLZ-UHFFFAOYSA-N 263.303 3.532 30 20 CHED CC(=O)c1c(Cl)cccc1NCC1(C#N)CCC1 882469750 SUIYHRLHCVGZPT-UHFFFAOYSA-N 262.740 3.648 30 20 CHED C#CCC1(C(=O)N2C[C@H](C)CCC[C@@H]2C)CCCCC1 788446650 FQOSKIOXDSXVMB-CVEARBPZSA-N 275.436 3.997 30 20 CHED CCCC[C@@](C)(F)C(=O)O[C@H](C)CC#Cc1cccnc1 1123062773 VLYGYRUJUFPLFZ-RHSMWYFYSA-N 291.366 3.673 30 20 CHED Cc1cccc(NC(=S)N2CCC(CC#N)CC2)c1C 781547403 NLNACJSBEGRYLO-UHFFFAOYSA-N 287.432 3.626 30 20 CHED CC1CC(C#N)(C(=O)O[C@@H](C)c2ccc(F)c(F)c2)C1 784203058 TUXCUEJSTNGMQU-VOZQYIJBSA-N 279.286 3.509 30 20 CHED COc1ccc2[nH]cc(C=NN[C@@H]3CCCC3(C)C)c2c1 782287017 ITBIANNVECJKOR-MRXNPFEDSA-N 285.391 3.679 30 20 CHED CCSCCC=NNc1ncc(Cl)cc1Cl 781119123 VEMZABFDVZDWEO-UHFFFAOYSA-N 278.208 3.929 30 20 CHED C#CCCCCCC(=O)OC/C=C\c1ccccc1 780254553 BZZAWDPEWWBOEL-RAXLEYEMSA-N 256.345 3.827 30 20 CHED C[C@H]1CCCC(=NNc2cnc3ccccc3n2)[C@@H]1C 781121440 BCPFVKLCCMSSCH-NWDGAFQWSA-N 268.364 3.854 30 20 CHED C=CCC[C@H](CC)Nc1cccc([S@](C)(=O)=NC)c1 895736761 SKRVKUIIHCIPRP-DJJJIMSYSA-N 280.437 3.930 30 20 CHED N#CC1(COC(=O)C2(Cc3ccccc3Cl)CC2)CC1 784283944 XYERSGCAHRASHW-UHFFFAOYSA-N 289.762 3.510 30 20 CHED CC1(C)C[C@@H](NN=C/C=C/c2ccc(F)cc2F)CCO1 780249318 CZDOANNNXGXEEV-VBTKJOAQSA-N 294.345 3.511 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1ccc2ccccc2c1 785998044 VULXNGKACWMQOU-SFHVURJKSA-N 294.398 3.819 30 20 CHED C/C(C=NO[C@H]1CCCCO1)=C/c1cccc([N+](=O)[O-])c1 787163478 RNGARKCMMNSESW-STVXQSFCSA-N 290.319 3.527 30 20 CHED CC(=NNCCc1ccccn1)c1cc2c(s1)CCCC2 789105377 PKIMAEGZGVHDNZ-UHFFFAOYSA-N 299.443 3.578 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccc(C(F)F)cc1 782443470 LOEAQTCSUNMWET-INIZCTEOSA-N 298.329 3.896 30 20 CHED Fc1cccc(NN=Cc2sccc2Cl)c1 782200092 DFIPAIZZRQCZPI-UHFFFAOYSA-N 254.717 3.987 30 20 CHED CC(C)(C#N)CCCn1c(=O)ccc2ccc(Cl)cc21 786893638 IAZPLZKBWDJPOH-UHFFFAOYSA-N 288.778 3.985 30 20 CHED C=CCCCCCON=CC(=O)Nc1ccc(F)cc1 783016271 TWWQXJWPTPIUFB-UHFFFAOYSA-N 278.327 3.513 30 20 CHED CCCC[C@H](C(=O)N1CCCc2nc(C#N)ccc21)C(C)C 892393700 PWHCRLZOJYFMDH-HNNXBMFYSA-N 299.418 3.695 30 20 CHED C=C1CCC(C(=O)O[C@H]2C[C@@H](C)C(=O)C(C)(C)C2)CC1 893129680 KNZKRBOVPVBGII-OCCSQVGLSA-N 278.392 3.670 30 20 CHED CCCc1cc(C(=O)N(CC#N)c2ccccn2)sc1C 892469517 SKDSLGWOFPVOBF-UHFFFAOYSA-N 299.399 3.574 30 20 CHED C#C[C@H](NC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C)C(C)C 798551906 ICAZUUWMDYUXCX-NJAFHUGGSA-N 298.430 3.540 30 20 CHED CC(C)[C@H]1CCCC(=NNc2ccc(Cl)nn2)C1 794457153 VWIXYKYLTGJZFJ-JTQLQIEISA-N 266.776 3.744 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2cc(C#N)ccc2C)C1 1137031372 OEBYTPSAJXOPQE-GOSISDBHSA-N 284.403 3.909 30 20 CHED CC[C@@H](C)CON=C1CCC[C@@H]1CNC(=O)OC(C)(C)C 793146667 UFDFEZITJFSDAT-CHWSQXEVSA-N 298.427 3.730 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cccc(OC)c1F 799893407 YAYLUXLQVLNLEL-BQYQJAHWSA-N 285.318 3.688 30 20 CHED C#C[C@H](CCC)/N=C/c1cc(Cl)cc(Cl)c1O 790098277 FYWKIWHUIMGIAC-FNQVVVRFSA-N 270.159 3.920 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1cn(C)c2ccccc12 794934437 KWRCIRWZPOTZNP-HJWRWDBZSA-N 293.370 3.852 30 20 CHED CCC(=NNc1ncccc1C)c1cc(C)ccc1OC 790190333 JFKWGALQSSISGK-UHFFFAOYSA-N 283.375 3.933 30 20 CHED Fc1ccc(/C=C/C=NNc2cccc(F)n2)c(F)c1 795009008 WLPHBNCPQGCQTM-FLGXVMQYSA-N 277.249 3.610 30 20 CHED CC(=NNc1ccc(F)cc1F)c1coc(C(C)C)n1 799463531 AODHTSYTIQMFJZ-UHFFFAOYSA-N 279.290 3.912 30 20 CHED CC(C)CNN=Cc1cc(Br)c(Cl)s1 790169791 AUFNTMGQSCUUTI-UHFFFAOYSA-N 295.633 3.744 30 20 CHED CC[C@H](CNc1ncc(C#N)cc1F)Oc1ccccc1C 1162636873 DHOAPLLETJQMSA-CQSZACIVSA-N 299.349 3.670 30 20 CHED COc1ccc(C#N)cc1CSCc1ccc(C)cn1 1319859260 SBUXHKXSGYLANB-UHFFFAOYSA-N 284.384 3.704 30 20 CHED CC[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 1232608919 AMEUCVLPMYVKMZ-LBPRGKRZSA-N 262.784 3.834 30 20 CHED Cc1cc(CNC(=O)Nc2cccc(CC#N)c2)ccc1F 1310746281 AYEXDEHVSYNTJH-UHFFFAOYSA-N 297.333 3.522 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2ccco2)cc1 83201393 LRLXTTCNWMKGJP-JXMROGBWSA-N 256.301 3.965 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(Cl)cc(Cl)c1 97079144 UGUZRIMPQPNOHP-VIFPVBQESA-N 257.164 3.727 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 185587459 SHJHGAZNORCREF-CQSZACIVSA-N 263.425 3.711 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccccc2Cl)c1 103032819 RVLRLWSFCNONGQ-UHFFFAOYSA-N 269.731 3.598 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)C1 186245847 BGEONLXZMFUVHQ-IAGOWNOFSA-N 288.460 3.973 30 20 CHED C[C@@H](NCCCC#N)c1ccc(Br)cc1F 275673628 HLROLYBWDJAZOW-SECBINFHSA-N 285.160 3.543 30 20 CHED CC#CC(=O)N(Cc1ccccc1)c1ccc(C)cc1 1321739077 NMUCNVNTALJODB-UHFFFAOYSA-N 263.340 3.552 30 20 CHED N#Cc1ccsc1NC(=O)c1csc(Cl)c1 191799595 VUVLGLWMVFFCCP-UHFFFAOYSA-N 268.750 3.587 30 20 CHED N#Cc1cc(C(=O)N(CC2CCCCC2)C2CC2)cs1 1324645931 QUCQSBVUGVNGSZ-UHFFFAOYSA-N 288.416 3.805 30 20 CHED C[C@@H](Nc1ccc(CC#N)cc1)C1CCSCC1 192725970 BAZBQSCDACQRMH-GFCCVEGCSA-N 260.406 3.696 30 20 CHED N#Cc1ccc(NCCOc2ccccc2)c(Cl)c1 62791118 VEJPQSJQFBGILF-UHFFFAOYSA-N 272.735 3.703 30 20 CHED N#CCSCCCN1CCC(C2CCCCC2)CC1 745942471 KLDJMOZYVDYXCJ-UHFFFAOYSA-N 280.481 3.926 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccnn1C1CCCC1 1336238629 QKQUDEORYQEDGZ-AWEZNQCLSA-N 287.407 3.569 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1c1cc(C)c(C#N)cn1 1185536348 YMPKYTQMRKDLKJ-WFASDCNBSA-N 257.381 3.667 30 20 CHED Cc1nccn1CCCSCc1ccc(CC#N)cc1 1331831646 HIRRLAWDZDCLQY-UHFFFAOYSA-N 285.416 3.581 30 20 CHED C=C[C@H](CC)CC(=O)O[C@@H](c1ccccc1)c1cnn(C)c1 1345925861 XTZDNNKZSTXOSN-KDOFPFPSSA-N 298.386 3.655 30 20 CHED C=C(C)Cn1c([C@H]2CCC(F)(F)C2)nnc1N(C)CCC 1343781020 WZHXBTQHWPMKRU-LBPRGKRZSA-N 298.381 3.603 30 20 CHED C=C(CC)C(=O)N(Cc1ccccn1)Cc1ccccc1C 1346438205 ALNCUXQLSDNYLS-UHFFFAOYSA-N 294.398 3.885 30 20 CHED C=CCCO[C@@H](C)c1nnc(-c2cc3c(s2)CCC3)o1 1345737183 QXLVGPZEGAYFHQ-JTQLQIEISA-N 290.388 3.941 30 20 CHED C#CC[C@H](C)OC(=O)c1cnc(-c2ccc(C)cc2C)s1 1343310240 SHEWKVSCVBKBKN-ZDUSSCGKSA-N 299.395 3.996 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCOC(C)(C)C2)CCCC1(C)C 1262620918 SYIHZOOVDCUNBH-GJZGRUSLSA-N 293.451 3.785 30 20 CHED CS[C@@H](C)[C@@H](C)OC(=O)CC1(C#N)CCCCC1 1263478674 FOBQBZXKNAZOIF-NEPJUHHUSA-N 269.410 3.534 30 20 CHED CCC[C@@H](CC)C(=O)Nc1ccc(Cl)c(C#N)c1 1264297812 VDRBMKTVJMKXRX-SNVBAGLBSA-N 264.756 3.976 30 20 CHED CC(C)CCCCC(=O)[C@H](C#N)c1cccc(F)n1 1342699180 OKEHVUSAGORSIJ-GFCCVEGCSA-N 262.328 3.613 30 20 CHED C[C@@H](OC1CCCCC1)C(=O)O[C@@H](CC#N)c1ccco1 1347948482 IGWQNKCSJUPPJO-DOMZBBRYSA-N 291.347 3.515 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnc(Cl)c(Cl)c1 1262819015 HCCXYDVVPBNXGH-NSHDSACASA-N 299.201 3.959 30 20 CHED CC(C)C[C@H]1CCCC(=NNc2nncc(N)c2Cl)C1 1344414850 DLULJWOELYDFKG-SNVBAGLBSA-N 295.818 3.716 30 20 CHED Cc1cccc([C@@H](O)CN[C@@H](CCC#N)c2ccccc2)c1 1352737254 LARRQRRAQOPBHO-OALUTQOASA-N 294.398 3.663 30 20 CHED C#CC[C@@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 1516783709 XJJDMQFMPUBHCU-CQSZACIVSA-N 294.354 3.514 30 20 CHED Cc1ccc(C[C@@H](C)N(C)c2ccc(Cl)c(C#N)n2)cc1 1458191394 VPWGHJTXHDLLTJ-CYBMUJFWSA-N 299.805 3.983 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 1521250549 XVKYYYZMAIHACO-GFCCVEGCSA-N 291.366 3.758 30 20 CHED N#Cc1ccccc1CNc1cc(C(=O)O)ccc1Cl 1601126338 UXZLUBVNSLKTDA-UHFFFAOYSA-N 286.718 3.522 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H](C)c2ccccc2C)n1 1534294119 NBTNBGBMLGKFGI-ZDUSSCGKSA-N 293.370 3.702 30 20 CHED CCCOc1ccc(NC(=O)c2ccsc2C#N)cc1 1533979860 SAVPWEOZEPZMQA-UHFFFAOYSA-N 286.356 3.661 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F 1532198667 DEPWGGJUICTVEC-ZFWWWQNUSA-N 289.350 3.957 30 20 CHED Cc1csc(NC(=O)N2CCc3c(C)cccc32)c1C#N 1476559476 WAILTLJWLLFLQC-UHFFFAOYSA-N 297.383 3.831 30 20 CHED Cc1ccc(NN=Cc2ccccc2Cl)cc1C(=O)O 1610509882 RPTGQLYXKKPNIZ-UHFFFAOYSA-N 288.734 3.793 30 20 CHED N#Cc1cncnc1N1CCc2c(-c3ccccc3)cccc21 1642546349 TVDCRLIXJJFXBW-UHFFFAOYSA-N 298.349 3.709 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccc(C#N)s2)n1 1656012775 GVQCJOUFRUGPFO-UHFFFAOYSA-N 285.397 3.796 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCCN1C1CCCCC1 1659026304 TZDDUHYENBVWKA-WBVHZDCISA-N 291.483 3.701 30 20 CHED CN(CC1(CC#N)CC1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1658882692 WISLXGLSYNWSEG-SJORKVTESA-N 298.430 3.858 30 20 CHED CCc1cc(N(C)[C@@H](C)c2cccc(C#N)c2)nc(CC)n1 1655596072 RORHONMABCPAIC-ZDUSSCGKSA-N 294.402 3.670 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCC(C)(C)CC1 1593806494 BWFRWHKHERJQEN-UHFFFAOYSA-N 296.846 3.780 30 20 CHED CC[C@H](NC(=O)Nc1cc(C)cc(C#N)c1)C1CCCC1 1678413528 XXLILOCBWQDKNQ-INIZCTEOSA-N 285.391 3.957 30 20 CHED O=C(O)Cc1ccc(NN=C/C=C/c2ccc(F)cc2)cc1 1776084873 ULQFWYXPUKXDIY-CAZBMPHGSA-N 298.317 3.564 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(C(=O)O)c(F)c2)c1 1776127118 IETDZIXQPSNLDF-VURMDHGXSA-N 284.286 3.728 30 20 CHED C[C@@H]1Cc2ccccc2C(=O)/C1=C\c1ccc(C(=O)O)s1 1776665815 DJXZQBGIBBWCAZ-AHEVQNHNSA-N 298.363 3.905 30 20 CHED C#CCCCCNCc1ccc(OC)c(OCC(C)C)c1 150730381 VXGWGLIUYYSAKM-UHFFFAOYSA-N 289.419 3.623 30 20 CHED C=C(C)CNC(=O)Cc1csc2ccc(Cl)cc12 161073105 NAWHJODZLSDURT-UHFFFAOYSA-N 279.792 3.790 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(C#N)cc1 160014969 WTOWKTVRAHEGKZ-KBPBESRZSA-N 282.368 3.670 30 20 CHED Fc1ccc(C#CCN(C2CCCC2)C2CC2)cc1 160083622 VPZLPKTWKQSXLJ-UHFFFAOYSA-N 257.352 3.584 30 20 CHED C=CCCN[C@H](C)c1ccc(OC(F)(F)F)cc1 163897002 GCFWCJPMZPNJJJ-SNVBAGLBSA-N 259.271 3.812 30 20 CHED C=CCCSCC(=O)Nc1c(C)cccc1CC 151994771 WPVXVTSGXGNJBX-UHFFFAOYSA-N 263.406 3.805 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccc(N(C)C)cc1 151382481 WXEXHGRNDZKSLS-IBGZPJMESA-N 293.414 3.865 30 20 CHED C[C@H]1CC=CC[C@H]1COC(=O)c1c(F)cc(C#N)cc1F 152270792 DRALGSVUFRSAKX-JQWIXIFHSA-N 291.297 3.596 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCc3ccc(C)cc32)CC1 153017710 QIFNBMULWIGGDD-LJQANCHMSA-N 284.447 3.612 30 20 CHED N#Cc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1 155072564 BOFSDBMMFYAPST-LJQANCHMSA-N 291.398 3.635 30 20 CHED C=C(C)CNC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 156358086 CIPJVYYIAMCBRG-MRXNPFEDSA-N 274.408 3.534 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCCC1(C)C 156988698 HQZJUGLHVODXSL-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C#CCCCCNC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 154947240 WWFTUIAGHOJAAZ-WMZOPIPTSA-N 298.430 3.625 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)ccc1C#N 1656064223 URQKPOWNJCMENJ-OGHNNQOOSA-N 256.393 3.781 30 20 CHED N#CCC1CCN(CCOc2cccc3ccccc23)CC1 260324497 AOERNJUKAYZJTN-UHFFFAOYSA-N 294.398 3.844 30 20 CHED N#Cc1ccc(CNc2cccc(-c3cnco3)c2)s1 119732013 XJDPODFOBOJHEB-UHFFFAOYSA-N 281.340 3.887 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1cccc(C#N)c1 5511842 KQRUCFVFYXRWRB-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C[C@H]1CCC[C@@H](c2noc(-c3ccc(C#N)cc3)n2)C1 230997641 XTRCETSHLIFTMI-SMDDNHRTSA-N 267.332 3.902 30 20 CHED N#CCOc1cccc(NCc2ccc(F)c(Cl)c2)c1 163782792 UYBFWIIOUZBAGT-UHFFFAOYSA-N 290.725 3.994 30 20 CHED CCc1noc(C)c1COc1cc(Cl)ccc1C#N 268487521 NCQQAFDMQISVSO-UHFFFAOYSA-N 276.723 3.650 30 20 CHED C=CCC[C@H](CO)N[C@H](CC)c1ccc(Cl)cc1 321029653 QAIJVPVJVGMFOJ-HUUCEWRRSA-N 267.800 3.708 30 20 CHED C=CCOc1ccc(CN[C@H](C(C)C)C2CC2)cc1 324536275 NISIJRJIKWGTCU-QGZVFWFLSA-N 259.393 3.776 30 20 CHED C[C@H]1CCC[C@H](N(C)c2ncc(C#N)cc2Cl)C1 339138654 XTWIRVNAJAOTAQ-JQWIXIFHSA-N 263.772 3.622 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCCn1nc(C)cc1C 657822156 WPEIJROZVMAUKP-SJORKVTESA-N 275.440 3.615 30 20 CHED N#Cc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1F 359000699 ZNBUPVGVYGUTHO-UHFFFAOYSA-N 285.709 3.835 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCC(OCC)OCC 692239073 IXCWYLSAMOLUCV-CABCVRRESA-N 269.429 3.500 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cccc(Cl)c1 695859738 RGGZGFXWALCRMO-LLVKDONJSA-N 250.773 3.758 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(CC#N)cc1 399008329 VTZSYTWQWLSSTI-RHSMWYFYSA-N 256.393 3.763 30 20 CHED N#CCCC1CCN(Cc2ccc(C#N)cc2Cl)CC1 399322948 IUWHAVARAQRRDT-UHFFFAOYSA-N 287.794 3.727 30 20 CHED Cc1cc(C#N)ccc1OC[C@H](O)c1ccc(Cl)cc1 771586251 NWIKJASQKOIKQU-HNNXBMFYSA-N 287.746 3.633 30 20 CHED C=CCCSCCNCc1c(Cl)cncc1Cl 865624275 XFDQPXNJDUXYAE-UHFFFAOYSA-N 291.247 3.787 30 20 CHED C[C@H](/N=C/c1cc(Cl)ccc1O)c1ccccn1 5228201 HVPOZUTUFWSQEK-VJCPFXPRSA-N 260.724 3.621 30 20 CHED CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C#N)cc1 14022394 NQKIJOHLDJRCRB-KRWDZBQOSA-N 294.354 3.663 30 20 CHED C[C@@H](CC(=O)Nc1sccc1C#N)c1ccccc1 14626428 SZTYEJWLHWRECF-NSHDSACASA-N 270.357 3.752 30 20 CHED C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 19878235 IZJMPZRCIHPVEW-ZIAGYGMSSA-N 250.345 3.970 30 20 CHED C=CCCC(=O)N1CCC(Cc2ccc(F)cc2)CC1 22312150 QSIJIESUAHFBBW-UHFFFAOYSA-N 275.367 3.573 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Cl)c1 31661409 XPDKWFNFMAWDGI-UHFFFAOYSA-N 299.761 3.876 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2ccc(C)s2)SC1=S 48402766 HZBIWBAJBKMCBT-IZZDOVSWSA-N 295.454 3.834 30 20 CHED C=CCOc1cccc(NC(=O)N2CCCCCC2)c1 48955420 XNYKJHGQFIRCMC-UHFFFAOYSA-N 274.364 3.659 30 20 CHED C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(CC#N)c1 49623824 JXZOSKILPRBUJN-GFCCVEGCSA-N 296.395 3.574 30 20 CHED CC(C)CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 49866438 CQQCWLHJADUFGR-HNNXBMFYSA-N 272.392 3.711 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2sccc2C#N)c1 52032174 IJPVMSYQVBJZMN-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CCCCOc1ccc(CN[C@H](CC)CC#N)cc1 54183224 SUNXQQTTXWIBAK-OAHLLOKOSA-N 260.381 3.647 30 20 CHED C=C(C)COC(=O)c1ccccc1NCc1ccco1 57470383 ZGNFEXZQRXDFFB-UHFFFAOYSA-N 271.316 3.625 30 20 CHED C=C(C)COC(=O)CCCc1ncc(-c2ccccc2)o1 58821061 CCYCAKZHGWRMDY-UHFFFAOYSA-N 285.343 3.784 30 20 CHED COCCOc1ccc(C(=O)/C=C/c2ccccc2C)cc1 59270548 JZARKYQYNWAJGV-FMIVXFBMSA-N 296.366 3.916 30 20 CHED CCCCCCCCNc1cccc(C(N)=O)c1C 59434628 XHJMPEYCYFTJKQ-UHFFFAOYSA-N 262.397 3.866 30 20 CHED CC(C)c1ccc(CCC(=O)OCCCC#N)cc1 61565597 AKYVLOZCTWBOGU-UHFFFAOYSA-N 259.349 3.590 30 20 CHED N#Cc1cccc(NC(=O)NCCc2ccccc2Cl)c1 62648291 LTQFEBGBQGEJGI-UHFFFAOYSA-N 299.761 3.576 30 20 CHED CN(Cc1cccc(C#N)c1)c1cc(Cl)ccc1C#N 62785116 MMBOLLKDFDAJPE-UHFFFAOYSA-N 281.746 3.720 30 20 CHED Cc1cccc2c1N=C(O)/C2=N\Nc1cc(F)cc(F)c1 63387534 KKCADMCUEDTRSH-UHFFFAOYSA-N 287.269 3.691 30 20 CHED C=C(C)COc1cccc(NC(=O)NCc2ccoc2)c1 67320760 MLFACMXOQXYDLM-UHFFFAOYSA-N 286.331 3.556 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 69311542 NAYFNVUKGCPFDJ-VIFPVBQESA-N 288.174 3.913 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccnc1Cl 72692653 UFIXQIBMAPHKNE-UHFFFAOYSA-N 279.815 3.887 30 20 CHED CCC(CC)CN(CCC#N)Cc1sc(C)nc1C 72692675 KVZYBZWOFTVMEE-UHFFFAOYSA-N 279.453 3.912 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1ccc(CC#N)cc1 74415504 XLWPCPOXRGUCTE-CYBMUJFWSA-N 270.376 3.908 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 75679354 DLUXUVSWIMDTHL-INIZCTEOSA-N 284.403 3.598 30 20 CHED N#Cc1cccc(CNC2(c3cccc(Cl)c3)CC2)c1 77467753 UWJCOJLDTJDBOF-UHFFFAOYSA-N 282.774 3.991 30 20 CHED C=CCOc1ccc(CN[C@H](CC)c2nccs2)cc1 78004328 ATLNANYZQCQJSW-OAHLLOKOSA-N 288.416 3.949 30 20 CHED CC(C)(C)c1ncsc1C(=O)Nc1ccc(C#N)cc1 80839921 QLJNEAYTDOAWGC-UHFFFAOYSA-N 285.372 3.565 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CSc2ccccc21 83748554 ZWLILVVVVSCUIS-CQSZACIVSA-N 297.339 3.725 30 20 CHED CN(CCCOc1ccc(F)cc1)CC(C)(C)CCC#N 91949038 GZLVJJOWPTZYLL-UHFFFAOYSA-N 292.398 3.856 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 92326834 HBHOMVPCKMVVSW-GHMZBOCLSA-N 269.348 3.575 30 20 CHED COC(C)(C)C[C@@H](C)Nc1ccc2cc(C#N)ccc2n1 92916796 OHDSRNJRHHQOQT-GFCCVEGCSA-N 283.375 3.722 30 20 CHED Cc1ccc(-c2nnco2)cc1NCc1cc(C#N)cs1 93686252 FWDQDCQPJKIDLO-UHFFFAOYSA-N 296.355 3.590 30 20 CHED Cn1cc(/C=C/C(=O)c2cccs2)c(C(C)(C)C)n1 93901695 BJXKVRYGORYDRR-BQYQJAHWSA-N 274.389 3.675 30 20 CHED C=CCOc1ccc(C(=O)N(CC(C)C)C2CC2)cc1 97214330 ODRNNRFLYCCBGR-UHFFFAOYSA-N 273.376 3.512 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCCC1CCCCC1 97727831 MEXFLHBPRXEVJZ-AWEZNQCLSA-N 264.413 3.745 30 20 CHED C=CCSCCNCc1ccc(CSC(F)F)o1 105462440 YSMUAXUZDNQOEC-UHFFFAOYSA-N 293.404 3.744 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1F)C1CCCC1 108364529 RKFSLVDQFKWGCI-UHFFFAOYSA-N 260.356 3.850 30 20 CHED C=CC1CCN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 110366028 YSGUZGZARINTQH-CABCVRRESA-N 261.409 3.649 30 20 CHED C=CCCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 115252067 FFRRGDMQXCBHEY-SFHVURJKSA-N 294.398 3.756 30 20 CHED C[C@@H](CC(=O)Nc1ccccc1C#N)c1cccc(F)c1 115972490 CDVZCPJOFZAHJT-LBPRGKRZSA-N 282.318 3.830 30 20 CHED C=C(Br)CNCc1csc2ccccc12 122710496 ICJXLZOGRMYJRU-UHFFFAOYSA-N 282.206 3.900 30 20 CHED CCc1cccc(Oc2nnc(CC)c(CC)c2C#N)c1 125027353 PKIZEJAGCUUAKA-UHFFFAOYSA-N 281.359 3.828 30 20 CHED CCc1nnc(Sc2ccccc2OC)c(C#N)c1CC 125406001 YBSZOLFAZKNSKM-UHFFFAOYSA-N 299.399 3.633 30 20 CHED C=CCCCN(C)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 125748123 CXTSISIPMBJAJU-DLBZAZTESA-N 286.419 3.930 30 20 CHED COc1cc(/C=C/C(=O)c2ccco2)ccc1OC(F)F 130859786 HVSAKCFAGSJROZ-GQCTYLIASA-N 294.253 3.786 30 20 CHED CN(CCCCC(F)(F)F)Cc1ccc(C#N)cc1 130879112 DPGWMYZJLAGALA-UHFFFAOYSA-N 270.298 3.723 30 20 CHED CC(C)(C)C1CCC(=CC(=O)NC2(C#N)CCC2)CC1 132701596 RBWOSXHXNPHIBP-UHFFFAOYSA-N 274.408 3.712 30 20 CHED N#Cc1cc(Br)ccc1NCc1ccoc1 132702997 NNOBVJNEMQBNDW-UHFFFAOYSA-N 277.121 3.526 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)Cc1cc(Cl)ccc1Cl 134104696 ZSCGEMBYOIKATJ-AWEZNQCLSA-N 299.201 3.590 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 135188756 FEIQLHVPBMRVQX-RYRKJORJSA-N 287.403 3.625 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccccc3)no2)cc1 137893786 QCXDJRSWEUYWNQ-UHFFFAOYSA-N 278.311 3.968 30 20 CHED CC1(C)CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1 149801458 SYIISKOCZHKCGD-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H]1CC[C@@H](SCC)C1 151032666 FLEKSUKTIRPSRJ-LSDHHAIUSA-N 281.465 3.887 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccc(CC)cc1 151975044 WVETUEPCAPIEJK-GFCCVEGCSA-N 263.406 3.885 30 20 CHED C=CCC[C@@H](CC)Nc1cccc(-c2ncn(C)n2)c1 153521801 VAIJXPUKSXXCHO-CQSZACIVSA-N 270.380 3.639 30 20 CHED CC#CCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 155190136 VLAFHTQWJIYJQS-UHFFFAOYSA-N 289.806 3.648 30 20 CHED C=CCN(C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 156860413 DGHAVZSDRKZXAH-GFCCVEGCSA-N 262.353 3.514 30 20 CHED C=CCCN[C@H](C)c1sccc1Br 168552270 HHRBMRWRCRGWHR-MRVPVSSYSA-N 260.200 3.737 30 20 CHED CCCc1nc(CO/N=C(\C)c2cc3ccccc3o2)no1 171729471 HMHDZLITVXVKDJ-WOJGMQOQSA-N 299.330 3.709 30 20 CHED COc1ccc([C@H](NCc2ccc(C#N)s2)C2CC2)cc1 176943731 NGYPHFXZEIAQTF-QGZVFWFLSA-N 298.411 3.869 30 20 CHED COc1cc([C@H](C)NCCCCC#N)ccc1OC(F)F 178642844 MBSDKNUVTJTTPI-NSHDSACASA-N 298.333 3.641 30 20 CHED C=CCCCC(=O)OCc1nc(C(F)(F)F)cs1 179249943 GRZMNVNFHHALPM-UHFFFAOYSA-N 279.283 3.561 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 180229690 GDSPKKXTFPSICP-UHFFFAOYSA-N 288.709 3.627 30 20 CHED Fc1ccc([C@H](CC(F)(F)F)NCC(F)(F)F)cc1 180559764 YPDKNSRHJYKORJ-VIFPVBQESA-N 289.194 3.971 30 20 CHED CC1(C)CCN(Cc2ccc(C#N)cc2Br)C1 181125617 BSJCTKOUKAHZSO-UHFFFAOYSA-N 293.208 3.553 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](CC)c1ccncc1 181383134 LFSMCXVVOVFIGW-HIFRSBDPSA-N 275.396 3.577 30 20 CHED CC(C)CN1CCC[C@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 182045646 SLYBXCWGTJQQCV-FUHWJXTLSA-N 299.462 3.577 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccccc1F 182568603 GNBNOYJMYFEPLC-GFCCVEGCSA-N 270.307 3.729 30 20 CHED C=C[C@H](CC(=O)N1CCCC2(CC2)C1)c1ccccc1 185355078 GVLOVWLQXPVKLB-OAHLLOKOSA-N 269.388 3.749 30 20 CHED Cc1coc2ccc(NC(=O)c3cc(C#N)cs3)cc12 185796931 MZVCHAQTKSCJSD-UHFFFAOYSA-N 282.324 3.927 30 20 CHED Cc1ccccc1C1(CN[C@H]2CCC[C@H](C#N)C2)CC1 185809167 HIPAQHKJYNAOFZ-HOTGVXAUSA-N 268.404 3.699 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CCC(C)(C)C 188919761 ADMYFFAYHKYSJL-XJKSGUPXSA-N 269.429 3.546 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cncc(C)c1 189785331 IFDJIIGTDXPHMJ-UHFFFAOYSA-N 279.387 3.674 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)c(F)cc1F 189922605 JOSGRXPNHVEIJF-UHFFFAOYSA-N 294.345 3.818 30 20 CHED C=CCC1(C(=O)Nc2ncc(CCC)s2)CCC1 190027441 SAMMDNHJDDNYEF-UHFFFAOYSA-N 264.394 3.781 30 20 CHED COc1ccc(CNc2cccc3ccn(C)c23)cc1C#N 190793738 ZBGAWIQNNZPDPC-UHFFFAOYSA-N 291.354 3.671 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2sccc2O)cc1 191478175 YHIRWDCVKMRDCR-TZOMUSMUSA-N 299.351 3.641 30 20 CHED CCN(Cc1cc(C#N)ccc1Br)CC1CC1 191789785 LOLNINLLVYMTQK-UHFFFAOYSA-N 293.208 3.553 30 20 CHED CCS[C@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 192020872 QFWUNLNUNQZJQB-HNNXBMFYSA-N 292.423 3.805 30 20 CHED C=CCN(C(=O)Cc1ccsc1)c1ccccc1 192607565 GDNDWOXYKVIMBN-UHFFFAOYSA-N 257.358 3.510 30 20 CHED N#Cc1ccc(NCCCOC(F)F)cc1C(F)(F)F 193617371 RLMRECLNFQRTAC-UHFFFAOYSA-N 294.223 3.618 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Sc2ccccc2)c1 215804423 XHSUIGOQMBNEJY-UHFFFAOYSA-N 256.286 3.618 30 20 CHED Cc1ccc(Cc2noc(-c3cccc(C#N)c3)n2)cc1 230995885 BXWBHSPXVDJTEH-UHFFFAOYSA-N 275.311 3.508 30 20 CHED C[C@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)[C@H]1C 245555626 IKFZYPFCEBZSJW-HOTGVXAUSA-N 285.435 3.657 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 247079851 XNRSYVSHRWUOFG-FRRDWIJNSA-N 298.169 3.942 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C\c1coc2ccccc12 255212731 PUZLTMLHVNHBDF-SREVYHEPSA-N 290.278 3.568 30 20 CHED Fc1ccc(C=NOCc2ccn(-c3ccccc3)n2)cc1 255275954 BHVXJVSSNVAWEH-UHFFFAOYSA-N 295.317 3.562 30 20 CHED COc1cccc(/C=N\[C@H]2CCCOc3ccccc32)c1O 255532015 ICDRJNKQKKNLKR-CCRNYGKSSA-N 297.354 3.734 30 20 CHED C=CCCC(=O)N(Cc1cccnc1)Cc1ccccc1C 263957123 COXIJBUQMBTDST-UHFFFAOYSA-N 294.398 3.885 30 20 CHED C=C1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)CC1 269722363 CHRRTQVCVWILPE-UHFFFAOYSA-N 297.320 3.974 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(C(=O)CC)c1)OCC 270213904 LRGOSAIIDXXPJS-INIZCTEOSA-N 289.375 3.589 30 20 CHED C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 271868238 MANAIIMAIPUNEW-BEFAXECRSA-N 294.398 3.723 30 20 CHED CCCCCCC[S@@](=O)Cc1cc(OC)cc(C)n1 274372474 UDKNTGLSRYTBBW-LJQANCHMSA-N 283.437 3.618 30 20 CHED C=CC[C@@H](C(=O)N1CCC(=C)CC1)c1ccccc1 275245682 GVLVWFWHJVVWPU-MRXNPFEDSA-N 255.361 3.525 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H](OC)c1ccccc1F 276917664 LUVQGZQBAVJRIC-YLQAJVPDSA-N 293.382 3.620 30 20 CHED CCCN(C(=O)CC(C)(C)C#N)[C@@H]1CCc2ccccc21 278164246 AVWHKYCLDFOUNH-MRXNPFEDSA-N 284.403 3.852 30 20 CHED COc1ccc(NCCCC2(C#N)CCOCC2)c(C)c1 281372110 YKZPPERDKIRXPI-UHFFFAOYSA-N 288.391 3.516 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)CCO1 286590193 UAXWXSJKVULEGW-WPRPVWTQSA-N 299.827 3.674 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ccncc2)C1 289383014 QFZCGRPZNADOOT-KXBFYZLASA-N 291.398 3.894 30 20 CHED C=CCC(C)(C)C(=O)Nc1cn(-c2ccccc2)nc1C 292920372 WHLTWGFZFAPZEG-UHFFFAOYSA-N 283.375 3.722 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(c3ccc(F)c(F)c3)CC2)C1 293061265 LDTNTPZCVMPWEE-DOMZBBRYSA-N 290.357 3.836 30 20 CHED C=C[C@H](CC(=O)NC1(C(C)C)CC1)c1ccccc1 293934772 NGIGAIOQKRWMEA-CQSZACIVSA-N 257.377 3.651 30 20 CHED N#CCCCN[C@H](CCc1ccccc1)c1ccccc1O 294101445 JKGPZSLBXAKXTA-GOSISDBHSA-N 294.398 3.959 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)cs1 296916101 PLNKMZGVCHCNSE-CYBMUJFWSA-N 286.400 3.810 30 20 CHED N#Cc1ccc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1 298186544 AQZRIKBFGWMQFW-CYBMUJFWSA-N 292.329 3.504 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C)c1nnc(C)o1 298825453 BJFSHDFIAOFPCR-GFCCVEGCSA-N 263.385 3.507 30 20 CHED C[C@H]1CCC[C@H](N(C)c2ccc(Cl)c(C#N)n2)C1 301165666 HNCCEAOVJJONTJ-QWRGUYRKSA-N 263.772 3.622 30 20 CHED CC(C)CCC1CCN(c2ccc(C#N)cn2)CC1 301653747 RFVHIBHECLBCKQ-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C=CCCC[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 301992574 GJOGEAYPJRPUNP-LLVKDONJSA-N 259.309 3.623 30 20 CHED C[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1nccs1 302160917 YHVKBETVSRKTNJ-NSHDSACASA-N 294.383 3.779 30 20 CHED C[C@H](C#N)OCCSc1ccc2ccccc2c1 302313624 DCLXHBCTGTXYST-GFCCVEGCSA-N 257.358 3.861 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1 313429178 CWEPVRCPQLHKRF-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CCC1(C(O)=Nc2nc(-c3cccs3)nn2C)CCC1 329637486 AHTBIASHISSZRV-UHFFFAOYSA-N 290.392 3.712 30 20 CHED C[C@@H]1OCC[C@@]1(C)/N=C(/O)c1cncc(-c2ccccc2)c1 329664852 QNXZXCDGTSVRQZ-SCLBCKFNSA-N 296.370 3.621 30 20 CHED C[C@@H](SC/C(O)=N/C1CCCCC1)c1cnccn1 329807308 AAQUSXKJKIXSFN-LLVKDONJSA-N 279.409 3.560 30 20 CHED O=C1CC[C@H](/C(O)=N/CC2CCCCC2)n2cccc21 329883817 ROCQMLSNDJWYAF-CQSZACIVSA-N 274.364 3.543 30 20 CHED CCc1occc1/C(O)=N/[C@H](C)c1nc(C(C)(C)C)no1 331205594 ZFJIQABFIJMYSI-SECBINFHSA-N 291.351 3.588 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[C@@H]2C#N)c2ccccc21 331761100 GMCFQTSOKMFIMZ-OMNBBPDLSA-N 297.402 3.616 30 20 CHED Cc1c(C(=O)Nc2cccc(C#N)c2)ccn1C(C)C 334457448 PICLULFHOMMWLN-UHFFFAOYSA-N 267.332 3.501 30 20 CHED N#Cc1cccc(C2(NC(=O)Nc3ccccc3F)CC2)c1 334865125 ULRSQIGFEVWREB-UHFFFAOYSA-N 295.317 3.508 30 20 CHED N#C[C@@H]1CC[C@H](NCc2nc3cc(Cl)ccc3s2)C1 334904465 ZKECYKAAJCIHED-KOLCDFICSA-N 291.807 3.732 30 20 CHED CC(C)(C)c1cnc(NC(=O)c2ccc(C#N)s2)s1 336453954 NLFNQGLFSLBRKV-UHFFFAOYSA-N 291.401 3.626 30 20 CHED N#Cc1ccc(NC(=O)C23CCC(CC2)C3)c(Cl)c1 336510860 FJFQXENBJOZFPF-UHFFFAOYSA-N 274.751 3.730 30 20 CHED C=CCCC(=O)N[C@H](CC(F)(F)F)c1ccccc1 338661824 IXFADRCSPSFIOU-GFCCVEGCSA-N 271.282 3.763 30 20 CHED C=CCCN1CCC[C@@H]1c1ccc(Br)cn1 339174666 WAVWVADOEDSFNS-CYBMUJFWSA-N 281.197 3.557 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(F)c(F)c2)s1 340442805 DLJQFSZRAWVHRH-UHFFFAOYSA-N 292.310 3.713 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCCC[C@H]1C 340733615 BMIPAKULCGEIBT-WBMJQRKESA-N 288.366 3.738 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)c1ccc(C#N)cn1 340810907 ZYIMIDIYWHBBLD-MRXNPFEDSA-N 281.359 3.549 30 20 CHED Cc1c(Cl)cnc(NC2CC(C(F)(F)F)C2)c1C#N 340938479 QKSAEZNDNYAEMV-UHFFFAOYSA-N 289.688 3.668 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(CC#N)cc1 342566779 LYIAXCYGPMYKSG-UHFFFAOYSA-N 261.328 3.545 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCCc2occc21 342625120 NMDMFPKSCZTBFV-HNNXBMFYSA-N 291.391 3.536 30 20 CHED C=CCCN(C)[C@@H](C)C(=O)Nc1c(CC)cccc1CC 342722587 OAXDOXFNLJQZBJ-AWEZNQCLSA-N 288.435 3.646 30 20 CHED CC(C)[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)c2)c2ccccc21 343084220 NLBDWGZSNHTDKE-ZWKOTPCHSA-N 277.371 3.672 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(CC2(C#N)CC2)C2CC2)o1 343258945 KLTAWUUAVIDBKT-IUODEOHRSA-N 270.376 3.671 30 20 CHED N#CC1(CN2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)CC1 343312773 CVILAVXVHLMZAG-JONQDZQNSA-N 258.409 3.581 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(Cl)c(OC)c1 345384543 QLAKFEUJCWIKJU-UHFFFAOYSA-N 290.750 3.588 30 20 CHED CC[C@H](c1ccccc1OC)N(C)CCCCC#N 347556849 MTPXHPHVILSSHG-OAHLLOKOSA-N 260.381 3.772 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(F)cc1Cl 349115948 YHJIIAZANAUYGN-UPHRSURJSA-N 258.683 3.916 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2nc(C(F)F)sc2c1 352631970 XCTRLPSYJMEFGQ-SSDOTTSWSA-N 297.330 3.930 30 20 CHED CCOc1ccccc1CN(CCC#N)CCC(C)C 353417275 RMXXIWKETZBNKP-UHFFFAOYSA-N 274.408 3.847 30 20 CHED CC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1NC1CC1 355656349 UANZWNMZQONCBV-LLVKDONJSA-N 271.364 3.507 30 20 CHED C=CCCC1(C(=O)N[C@H](CC)c2nc(C)cs2)CC1 355664298 SOMXAGXBYPXZCI-GFCCVEGCSA-N 278.421 3.765 30 20 CHED CCCCn1cc(CNc2ccc(C#N)cc2F)c(C)n1 358459322 UCFBVGVDVGQFBS-UHFFFAOYSA-N 286.354 3.615 30 20 CHED CC[C@H](N[C@@H](CO)CCC(C)(C)C)c1ccc(C#N)cc1 359088193 XOKSKOUMIOOFBG-SJORKVTESA-N 288.435 3.786 30 20 CHED C=CCOCCCS[C@H](C)c1nc(C(C)C)no1 359113839 FBOATDSEIRITJW-LLVKDONJSA-N 270.398 3.580 30 20 CHED N#Cc1ccccc1SCCc1ccc2c(c1)OCCO2 359772441 JWVOJRNDPXSYJZ-UHFFFAOYSA-N 297.379 3.664 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H]1CCC(C)(C)C1 361469529 MTFKVJZJXKXMNI-HNNXBMFYSA-N 272.392 3.577 30 20 CHED N#CCCCC(=O)N(CC1CCCCC1)c1ccccn1 361963505 JDJKPJTVRDTCLY-UHFFFAOYSA-N 285.391 3.689 30 20 CHED C=CCCC[C@@H](C)NC1CCC2(CCCO2)CC1 364947965 IEIDORJPPGJTRT-QQFBHYJXSA-N 251.414 3.813 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](C)C2(CCC2)C1 369846418 MTOBKUPXQNCOQH-CQSZACIVSA-N 261.409 3.794 30 20 CHED N#Cc1cnc2ccccc2c1N1CCCc2occc2C1 377161968 OJHKMGREWYUHDJ-UHFFFAOYSA-N 289.338 3.652 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)[C@@H]2CCC[C@H]21 378813919 AUDOMSISPOUTKU-GDBMZVCRSA-N 272.367 3.708 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)CC1=CCCCC1 411001803 NGPGOUHSGILAAP-UHFFFAOYSA-N 280.371 3.728 30 20 CHED C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1ncc(C)o1 411179587 PBYLYEYLSUGYOV-AWEZNQCLSA-N 286.375 3.741 30 20 CHED C=CCN(CCc1ccccc1)[C@H](C)c1ncc(C)o1 411190625 HZZFQYNETXAPEI-OAHLLOKOSA-N 270.376 3.775 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccc(F)c(Br)c1 411765195 AIDROCDVKGQVDL-ZJUUUORDSA-N 299.187 3.931 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H](C)CC(F)F)cc1C#N 412192800 DBKWVDWRLYEVFN-JTQLQIEISA-N 296.317 3.575 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCC 413823679 MZZBPJGHGOVVPW-MRXNPFEDSA-N 274.408 3.615 30 20 CHED CCCC(CCC)C(=O)N1CCc2cc(C#N)ccc21 416009676 FJJZQIAJVHOLCR-UHFFFAOYSA-N 270.376 3.664 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)CCOCc1ccccc1 424847949 KZNAVQMFYSUFPN-HNNXBMFYSA-N 289.419 3.700 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCCCCn1cccn1 425538832 SOIGFTLWWUBBKV-MRXNPFEDSA-N 296.418 3.618 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(C#N)cc1Cl 426161505 MOFVIKDKWHPKLY-ZYHUDNBSSA-N 291.782 3.864 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CCCC(F)(F)F 426396094 LYCXLUGFIZXMSZ-VXGBXAGGSA-N 292.345 3.858 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(N(CC)CC)cc1 428054794 OZAFATPVZODNKE-MRXNPFEDSA-N 286.419 3.714 30 20 CHED CC1(CC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)CC1 428787272 JWNXAQQSSFVGCP-NSHDSACASA-N 297.185 3.864 30 20 CHED C[C@@H](C#N)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 428882840 OPDQRDYVKBPVLF-JTQLQIEISA-N 292.766 3.760 30 20 CHED Cc1c(C#N)cccc1NCCCOc1cccc(C#N)c1 431319414 REMFYSMBSVNHSV-UHFFFAOYSA-N 291.354 3.619 30 20 CHED Cc1nnc(NC[C@@H](c2ccccc2)C2CC2)c(C#N)c1C 431477675 MLONFXAQBQQKSK-KRWDZBQOSA-N 292.386 3.571 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC[C@](C)(c2ccc(C)cc2)C1 435469612 KHXSVGLVDFLFCI-QAPCUYQASA-N 286.419 3.633 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(C#N)oc2C)c1 435702200 YEIWLPHTLITVPG-UHFFFAOYSA-N 296.326 3.667 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H]1Cc1ccccc1 437844263 HWCGAKNZDKQYJO-GOSISDBHSA-N 280.346 3.514 30 20 CHED C=C(C)[C@H](NC[C@H](F)CC)c1ccc(F)c(F)c1 440501024 CYQPUTWYIFWWQY-RISCZKNCSA-N 257.299 3.920 30 20 CHED C=CCN(C)C(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 441945612 LHTLJTCTNMWCOV-LLVKDONJSA-N 293.436 3.698 30 20 CHED CC(C)Oc1cc(F)ccc1N[C@H]1CC[C@@H](C#N)C1 442829789 QILDGRADHQIVBH-YPMHNXCESA-N 262.328 3.717 30 20 CHED Cc1cc(CNC[C@@H](C)c2ccccc2)ccc1C#N 443957427 JKQRCNNJSJGSOA-OAHLLOKOSA-N 264.372 3.760 30 20 CHED Cc1cccc(NCc2cn3ccccc3c2C#N)c1F 447019039 VVVZBIDHTVZMIB-UHFFFAOYSA-N 279.318 3.871 30 20 CHED CC[C@H](Nc1cccc2c1OCO2)c1ccc(C#N)cc1 447591415 HXQGWYOMHPKWLG-AWEZNQCLSA-N 280.327 3.850 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 448925583 PTWYMBRIDJPMLP-JTQLQIEISA-N 280.437 3.830 30 20 CHED C=CCCCC[C@@H](C)NCCc1csc(C)n1 449070931 GBYSGDQMYJRJPF-GFCCVEGCSA-N 252.427 3.719 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CS1 449734199 AJHBBKMAUMZYSM-HIFRSBDPSA-N 292.423 3.707 30 20 CHED C=CC[C@H](C)[C@@H](C)NCC(C)(C)C1(O)CCCC1 449735215 GFNTUNHRADOYEG-UONOGXRCSA-N 253.430 3.508 30 20 CHED C[C@@H]1C[C@@H]1[C@H](Nc1nccc(C#N)n1)c1ccc(Cl)cc1 450358470 SBTHFXZVFGXBJX-WKPIXPDZSA-N 298.777 3.811 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)c(Cl)c1 451208879 BKFAWCHRVLAKII-BMIGLBTASA-N 292.766 3.615 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 451680959 MZJWUQCCDJISQG-AYOQOUSVSA-N 296.414 3.507 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 452778334 XQHZKEQABBJWOM-LBPRGKRZSA-N 279.811 3.847 30 20 CHED C=CC(C)(C)c1nc([C@@H](OCC)c2ccccc2)no1 453163733 JHEFETUPLLKYDY-ZDUSSCGKSA-N 272.348 3.659 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 455331468 WXMJRYGDKJHICS-QXPKXGMISA-N 284.403 3.840 30 20 CHED C=CCC1(NC(=O)c2oc(CCC)nc2C)CCCCC1 456372235 UFPVDCPBAGXYFZ-UHFFFAOYSA-N 290.407 3.944 30 20 CHED CC(C)c1scnc1C(=O)Nc1cccc(CC#N)c1 456755145 RJAVOYKJHKBWMC-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C=CCOc1cccc(CNCc2ccc(C)c(C)n2)c1 459670982 OTLROCCAAHAGMC-UHFFFAOYSA-N 282.387 3.553 30 20 CHED Cc1sc(NC(=O)[C@H](C)C2CCC2)c(C#N)c1C 459846079 OTBLCRJFBXITID-SECBINFHSA-N 262.378 3.611 30 20 CHED CCC(CC)N=c1c(C#N)c[nH]c2ccc(Cl)cc12 461453624 OVBZLBBENWAWQR-UHFFFAOYSA-N 273.767 3.782 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(C)cc1C 464758060 OQAXYGSDLKDCMP-UONOGXRCSA-N 260.381 3.580 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 465120174 NYHDDYKNRDUDFQ-IUCAKERBSA-N 272.175 3.788 30 20 CHED C=CC[C@H](CC)NC(=O)N(CCCC)CCCC 466379605 ZXLZZUZZYCIUAQ-AWEZNQCLSA-N 254.418 3.953 30 20 CHED C=CCCN(C)CC(=O)N[C@@H](C)c1cccc2ccccc12 467291259 VJUJPFDAYRLAIX-HNNXBMFYSA-N 296.414 3.525 30 20 CHED C=CCOCCCN1CCC2(CCCCC2)CC1 470767923 WZMZECOGVTVHLN-UHFFFAOYSA-N 251.414 3.625 30 20 CHED CCC(C)(C)N(C)Cc1ccc(C#N)cc1OC(F)F 471073555 XNJPQIQQNLILTN-UHFFFAOYSA-N 282.334 3.780 30 20 CHED C=CCCCCNC(=O)c1ccc(-c2ccccc2)nc1O 471698215 UMGYHFMTZWETPO-UHFFFAOYSA-N 296.370 3.540 30 20 CHED C=CCOCCCOc1ccc(C)cc1Br 478783856 XBSJWOSYLNCXIP-UHFFFAOYSA-N 285.181 3.729 30 20 CHED C[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)[C@@H]1C 480537274 NQIMKLUXWJOLRP-VXGBXAGGSA-N 262.784 3.832 30 20 CHED Cc1ccccc1O[C@@H]1CCCC[C@H]1NCCCCC#N 484649499 KDNUMFVRSOGELY-SJLPKXTDSA-N 286.419 3.969 30 20 CHED N#Cc1ccc(C(=O)NC2(c3ccccc3)CCCC2)s1 487057928 LIRQOQLVPZSBBR-UHFFFAOYSA-N 296.395 3.819 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccccc1OC(F)(F)F 488840776 PBZGRLOYAAHAFX-LLVKDONJSA-N 299.292 3.766 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1cc2ccccc2o1 488841826 RFSDLQUWVXATIT-HNNXBMFYSA-N 283.371 3.933 30 20 CHED C=CCn1cccc1C(=O)N1CCCC2(CCCCC2)C1 488932469 INMMWFRZZZANIT-UHFFFAOYSA-N 286.419 3.861 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1sc(-c2ccccc2)nc1C 491615067 APBOSSNMKUOLKF-NSHDSACASA-N 299.399 3.604 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(Cl)cc1C(F)(F)F 491654151 PDYZFCLYOJAAEW-SECBINFHSA-N 289.684 3.500 30 20 CHED C#C[C@H](CC)NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 491754961 WVNONAWUYQONIJ-GXTWGEPZSA-N 284.359 3.547 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)Cc1ccc(C)s1 495244134 QISDRFVXEUVFSD-TZMCWYRMSA-N 292.448 3.738 30 20 CHED C=CCOc1ccccc1C(=O)NCc1ccc(C)cc1C 496503153 KZCGQZJJMIKIMD-UHFFFAOYSA-N 295.382 3.798 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N(C)CC(C)(C)C#N 497143375 IPGDHSIGDXJYMO-CYBMUJFWSA-N 264.413 3.601 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCc2c(F)ccc(F)c21 500813915 IIFJMWYXSHLYMX-YGRLFVJLSA-N 251.320 3.896 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 502147686 WCSKJKNFSNRAHR-GOSISDBHSA-N 298.430 3.551 30 20 CHED C=CCOCCCN1CC[C@@](F)(c2cc(C)cc(F)c2)C1 502904893 UKOGAAIQMRDLDJ-KRWDZBQOSA-N 295.373 3.597 30 20 CHED C[C@@H]1CCCC[C@H]1NCCSCc1ccccc1C#N 512058225 NZMVMDWRKUASBH-RHSMWYFYSA-N 288.460 3.960 30 20 CHED C=CCCCN[C@](CC)(C(=O)OC)c1ccc(Cl)cc1 512280786 XFJLUANDQDSJTL-INIZCTEOSA-N 295.810 3.674 30 20 CHED C=CCNC(=O)[C@@H](C)Nc1ccc2oc3ccccc3c2c1 514731983 XSRQCRHGLHXJLO-GFCCVEGCSA-N 294.354 3.689 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@@H](C)CCC=C(C)C 514938332 GZVCPDHDLKQPAX-DZGCQCFKSA-N 250.386 3.567 30 20 CHED C[C@H](CN(C)c1ccc(Cl)c(C#N)n1)c1ccccc1 517577386 UVEDCORQGAIPSK-GFCCVEGCSA-N 285.778 3.847 30 20 CHED C=CC[C@@H](C)NC(=O)NC(CC(C)C)CC(C)C 522631158 NEMLOUMSFNEUMX-CYBMUJFWSA-N 254.418 3.711 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H](C)c2ccncc2)n1 528201507 BPLWHRQNLBSQNQ-GFCCVEGCSA-N 271.364 3.665 30 20 CHED N#CCc1ccnc(NC(=O)c2cc3ccccc3s2)c1 531670474 PONYOZRPUJCMIE-UHFFFAOYSA-N 293.351 3.615 30 20 CHED CCC(CC)N(Cc1ccc(OC)c(C#N)c1)C1CC1 534681387 WUWZORWPWXIPOM-UHFFFAOYSA-N 272.392 3.720 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(Cl)c1)OCC 535126456 ZLILHLGZHBIGJA-CQSZACIVSA-N 281.783 3.958 30 20 CHED C=C(C)COc1cc(CN2C3CCC2CC3)ccc1OC 536633283 ONLQTPBFSSEDKC-UHFFFAOYSA-N 287.403 3.777 30 20 CHED C=C(CC)COc1ccccc1C(=O)NC1CCCC1 536881600 LGTMVHNWJMLGST-UHFFFAOYSA-N 273.376 3.704 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(c2ccccc2F)CC1 538334269 SLNZVNHTHDISPY-ZDUSSCGKSA-N 275.367 3.718 30 20 CHED Cc1cccc(CCCN(C#N)c2ccc(F)c(C#N)c2)c1 538659646 CQGPQONIPDJGEM-UHFFFAOYSA-N 293.345 3.926 30 20 CHED COCCOc1ccc(C#N)cc1N[C@@H]1CCCC[C@H]1C 544374476 QDJXTBOUVSWNRM-UKRRQHHQSA-N 288.391 3.574 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCCC2 549552544 BCRLIZVCVIXACX-GLJUWKHASA-N 268.404 3.908 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)[C@H]2CCC[C@@H]21 552139686 RVXHQUJQCCDFNG-KBPBESRZSA-N 260.406 3.630 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@@H]1CC 564620645 VGKDNLLBRWRZFL-HNNXBMFYSA-N 288.439 3.891 30 20 CHED C[C@@H](C#N)c1ccc(-c2cccc(C(=O)O)c2)cc1 569225407 KVAQDSXNGCAYBN-NSHDSACASA-N 251.285 3.679 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCCC[C@@H]1CC 569742412 FHQXKAXTJKQDCP-KBPBESRZSA-N 276.428 3.747 30 20 CHED CS[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C 571129762 YYHREKHFJASFPC-HZPDHXFCSA-N 288.460 3.913 30 20 CHED C=CCCCCCNC(=O)c1cncc(Cl)c1C 572659848 RCHSAXLHJIVNEZ-UHFFFAOYSA-N 266.772 3.520 30 20 CHED Cc1ccc2ccnc(N(C)CC(C)(C)C#N)c2c1 577605016 HKCVJPWCKRSLNU-UHFFFAOYSA-N 253.349 3.529 30 20 CHED C=CCN(CCC#N)CCCOc1ccc(Cl)cc1 578109414 LMYRNBCGKDEBGX-UHFFFAOYSA-N 278.783 3.511 30 20 CHED CC[C@H](C#N)NC(=O)c1ccccc1Nc1ccc(C)cc1 578187417 VSHCLJQJKLJUDT-CQSZACIVSA-N 293.370 3.771 30 20 CHED CCc1ccc(CC(=O)Nc2scc(C)c2C#N)cc1 583777226 NXOBWOXLKHZYQW-UHFFFAOYSA-N 284.384 3.672 30 20 CHED CN(Cc1ccc(F)c(Cl)c1)C(=O)CCCCCC#N 588165391 GGWFXWIBTCSIEN-UHFFFAOYSA-N 296.773 3.912 30 20 CHED CC[C@H](C#N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 593385727 WFIQVFRYAGINFE-SNVBAGLBSA-N 285.174 3.502 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@H]1c1ccccc1Cl 593412611 LOPZYSBBTKEMCW-SMDDNHRTSA-N 276.767 3.553 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCCc1ccc2c(c1)CCCC2 594083149 HLBUJXJQFCXXDW-SFHVURJKSA-N 298.430 3.649 30 20 CHED C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1F 595091685 SDABJEGGGHWAEK-BBATYDOGSA-N 296.345 3.741 30 20 CHED Cc1ccc(-c2nc(CN(C3CC3)[C@@H](C)C#N)co2)cc1 595712737 AAUYMTAJILMCFO-ZDUSSCGKSA-N 281.359 3.527 30 20 CHED CCc1nc(C)c(COc2c(C)cc(C#N)cc2C)o1 596262129 XXSIBJVIUVGPCJ-UHFFFAOYSA-N 270.332 3.613 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 597074839 GMEXEFXXZOHXSC-BZUAXINKSA-N 276.424 3.647 30 20 CHED C[C@H](NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1cccc(C#N)c1 597318486 ATSDTDKIAXSNLR-VIBAHUMZSA-N 296.414 3.952 30 20 CHED CC(C)c1cccc(C(=O)N2CCC[C@](C)(C#N)C2)c1 597501926 NPLSVQACGVXJSC-QGZVFWFLSA-N 270.376 3.576 30 20 CHED C[C@@H](CC(=O)N(C1CC1)[C@H](C)C#N)c1c[nH]c2ccccc12 598136281 GNVFEMYIJLBLSC-QWHCGFSZSA-N 295.386 3.565 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(CC)[C@H](C)C#N)cc1 598358417 FITUQHVXJIOLHY-ZIAGYGMSSA-N 272.392 3.503 30 20 CHED CCCc1ccc(CN(CC)C[C@@H](C)C#N)s1 598678259 DPAIZHHFGJUJMF-LBPRGKRZSA-N 250.411 3.682 30 20 CHED CC(C)[C@@H]1N(C[C@@H](O)CC(C)(C)C#N)CC12CCCCC2 598706692 UDPXZUZEIMBRPQ-HOTGVXAUSA-N 292.467 3.578 30 20 CHED CCCC[C@H](C(=O)Nc1ccccc1C#N)C(C)C 598797297 KYSYIJHFJQHYJZ-AWEZNQCLSA-N 258.365 3.959 30 20 CHED C[C@H]1CCc2sc(NC(=O)CCCF)c(C#N)c2[C@@H]1C 598839903 WQIFPRBJSVZUQY-VHSXEESVSA-N 294.395 3.994 30 20 CHED Cc1ccc([C@@H](C)CN2CCC[C@H](CC#N)C2)cc1 600176790 GQYRCCXUYBGLNX-JKSUJKDBSA-N 256.393 3.724 30 20 CHED Cc1[nH]c2ccccc2c1CCNC[C@@H](C)CCC#N 602527695 KDXPFYDPDIQLEN-ZDUSSCGKSA-N 269.392 3.548 30 20 CHED COc1ccccc1C(C)(C)CNC[C@H](C)CCC#N 602530123 DOMWMXIQGWEIHZ-CQSZACIVSA-N 274.408 3.502 30 20 CHED CC(C)n1ncc2ccc(NC[C@@H](C)CCC#N)cc21 602590435 UKFASXOILVBFAQ-ZDUSSCGKSA-N 270.380 3.969 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCC1CCCCCC1 602677562 YONCUFJJFCAOOL-HNNXBMFYSA-N 278.440 3.645 30 20 CHED C[C@@H](C#N)CN(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl 604572979 HRAOGZHOOKZJAS-VHSXEESVSA-N 299.201 3.715 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cccc(C)c1 606918478 RYAUZMKVJHHSBD-UHFFFAOYSA-N 274.408 3.883 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 609890679 KAGDGEZHPYCEOB-MGPQQGTHSA-N 255.365 3.724 30 20 CHED C[C@H](NC(=O)c1ccccc1Cl)c1cccc(C#N)c1 610363004 WBRHFRHRIWMZNM-NSHDSACASA-N 284.746 3.703 30 20 CHED CC(C)Cc1ccc([C@@H](C)NCC2(C#N)CC2)cc1 611433105 IAMYOOPWQCNPQK-CQSZACIVSA-N 256.393 3.839 30 20 CHED C[C@H](C(=O)NCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 611690260 KBWHGFQWAGEBFM-VIFPVBQESA-N 299.201 3.763 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(F)c2)C1 617782651 JSRMBDZHSDPFHH-UONOGXRCSA-N 275.367 3.744 30 20 CHED C[C@H](Cc1ccsc1)N[C@H]1CCc2cc(C#N)ccc21 618805828 PHMWZVVFYFOMQY-PXAZEXFGSA-N 282.412 3.828 30 20 CHED C=CCC1(NC(=O)c2ccc(-c3cnco3)cc2)CCCC1 619104741 UURGYIIAMLQVMB-UHFFFAOYSA-N 296.370 3.960 30 20 CHED CCc1ccnc(CNc2nc(C(C)(C)C)ccc2C#N)c1 619549812 CDKDPNODBISQTO-UHFFFAOYSA-N 294.402 3.820 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1 619673637 NZCPQMMRVLNXJP-KPZWWZAWSA-N 278.355 3.602 30 20 CHED C=CCN(C(=O)CSc1ccc(OC)cc1)C(C)(C)C 622943173 QWOCWCWPQAGNEH-UHFFFAOYSA-N 293.432 3.600 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Cc1ccccc1C 626851004 LHHXHPLEHMDFBO-GOEBONIOSA-N 259.393 3.645 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)CC)cc1 628693691 KIXNYJPTHICZAZ-MRXNPFEDSA-N 259.349 3.820 30 20 CHED C=CCN(CCC(=O)Nc1ccccc1C)C(C)(C)C 661757012 BEQQFXHHVNVMBE-UHFFFAOYSA-N 274.408 3.610 30 20 CHED C=CCCN(C)C[C@@H](OC)c1ccc(Cl)cc1 669934878 WLUCCSXOCHXCLJ-CQSZACIVSA-N 253.773 3.535 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1ccc(Cl)cc1Cl 675485616 CEOCPOMRYPFWQZ-CYBMUJFWSA-N 288.218 3.752 30 20 CHED C=CCCC[C@H](C)NC(=O)N1c2ccccc2C[C@@H]1C 678921060 ATKMGPJPAHPMOF-KBPBESRZSA-N 272.392 3.892 30 20 CHED N#CC1(CSc2nc3cnccc3s2)CCCC1 703004350 ZKGULNMQXOUGSU-UHFFFAOYSA-N 275.402 3.867 30 20 CHED N#Cc1ccc(OCc2cc(C(=O)O)cs2)c(Cl)c1 711434959 IRHJVHNHCFLIFF-UHFFFAOYSA-N 293.731 3.550 30 20 CHED COc1cccc(NN=C(C)c2cccc(F)c2)c1 725853003 BLKLBNXNJJRJDT-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C(=NNC1CCCC1)c1csc(-c2ccsc2)n1 727651778 PXGXCSRAEFOHGH-UHFFFAOYSA-N 277.418 3.738 30 20 CHED C#CCN(C(=O)Cc1cc(C)ccc1C)C1CCCCC1 727995261 UEJHWHZYSHDZRB-UHFFFAOYSA-N 283.415 3.640 30 20 CHED c1ccc2c(c1)OCCCC2=NNc1nc2ccccc2[nH]1 728426943 FIERUMUJLPSTPL-UHFFFAOYSA-N 292.342 3.552 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2Cl)cn1 728811388 WHEWNUZAFSGGCD-GFCCVEGCSA-N 298.773 3.550 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)/C=C(\C)C2CC2)cc1 729251095 SXAKPJKNADWWTE-BUHFOSPRSA-N 298.386 3.688 30 20 CHED Cc1ccc(C2CC(=NNc3oc(C)nc3C#N)C2)cc1 729816867 TXUYGDORERIIFX-UHFFFAOYSA-N 280.331 3.509 30 20 CHED CC/C=C(\C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730421727 NZJULFHPVFZHQW-VCFDLTMXSA-N 288.347 3.968 30 20 CHED C=C1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 731032416 JMFVDQNVLXVJDN-UHFFFAOYSA-N 257.164 3.540 30 20 CHED C#Cc1cccc(NC(=S)NCC2(C)CCCC2)c1 731160154 RKDGHOOULYOENL-UHFFFAOYSA-N 272.417 3.535 30 20 CHED CCCCCCCC(=O)NCC1CCSCC1 733225800 VEZWQTUJLAKTTO-UHFFFAOYSA-N 257.443 3.606 30 20 CHED CC(=NNC(=S)Nc1ccccc1)c1sccc1C 733745537 ONVMJZHGJZWLJB-UHFFFAOYSA-N 289.429 3.767 30 20 CHED Cc1ccc(F)c(C=NNc2ncnc3sccc23)c1 734978454 IPAYEEVIBVVFSU-UHFFFAOYSA-N 286.335 3.585 30 20 CHED C=CC[C@H](C)NC(=O)C(F)(F)c1cccc(Cl)c1 735066072 JVBTWUSKFQIOGF-VIFPVBQESA-N 273.710 3.513 30 20 CHED C=CCCCOC(=O)c1cc(F)c(F)cc1Cl 735528863 WZQHPIYPNYCJPU-UHFFFAOYSA-N 260.667 3.741 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(C)o1 735619731 QGFXPHQJJLLAGI-UHFFFAOYSA-N 250.248 3.702 30 20 CHED Cc1cc(C)cc(CC/N=C\c2cc([N+](=O)[O-])ccc2O)c1 740763562 KWXDWBXQMOLMDC-WQRHYEAKSA-N 298.342 3.579 30 20 CHED COc1cccc(O)c1/C=N\C[C@H](C)Oc1ccccc1C 741845438 TXJSNQPQHXQTJG-YQNUULROSA-N 299.370 3.596 30 20 CHED C#CCN(C(=O)N[C@H](C)CCC(C)C)C1CCCCC1 744809880 BDDBWRUSNQVCLB-OAHLLOKOSA-N 278.440 3.789 30 20 CHED CC(=NNc1oc(CC(C)C)nc1C#N)c1ccccc1 745613229 ANYKWUUDRNAQDJ-UHFFFAOYSA-N 282.347 3.581 30 20 CHED Cc1ccc(C)c(C=NNc2cc([N+](=O)[O-])ccc2C)c1 747062451 XFNZVASNRYEVBM-UHFFFAOYSA-N 283.331 3.966 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1nnc(-c2ccccc2)n1C 747753317 NHJVNMSLAORBGO-AWEZNQCLSA-N 297.406 3.706 30 20 CHED Cc1ccsc1CCCC(=O)N(CCC#N)CC(C)C 747825109 DVZXCSYIYOEAFD-UHFFFAOYSA-N 292.448 3.778 30 20 CHED Cc1cccc2ncc(/C=C/C(=O)c3cccs3)n12 748994888 UNBWTHIQNZPIFE-BQYQJAHWSA-N 268.341 3.600 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)nc1)CC2 749006346 TUZCJXOXANIZOW-MDWZMJQESA-N 299.757 3.956 30 20 CHED CSCC(=NNc1ncccc1Cl)c1ccccc1 749446705 IGDGIGICFKWZDM-UHFFFAOYSA-N 291.807 3.914 30 20 CHED C=CCCCN(C)C1CCC(NC(=O)OC(C)(C)C)CC1 749803737 YUSNPNYDDAJJSG-UHFFFAOYSA-N 296.455 3.720 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc(C(=O)O)s1 750903772 RCBSRVSXELWEQU-HYXAFXHYSA-N 290.315 3.790 30 20 CHED COCCOc1ccccc1C=NNc1cc(C)ccc1C 751523019 WDBWEPYRXAEDRF-UHFFFAOYSA-N 298.386 3.775 30 20 CHED CC(CC1CCCC1)=NNc1nc2ccccc2[nH]1 752718828 MXYASOHLHYAXFL-UHFFFAOYSA-N 256.353 3.931 30 20 CHED C=C(C)COC(=O)/C=C(\C)c1ccccc1OC(F)F 753399018 CXAJITBJPNZMAB-DHZHZOJOSA-N 282.286 3.811 30 20 CHED C#CC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 754003122 LHNVBNINWIOYTJ-CQSZACIVSA-N 279.339 3.707 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@]1(C)CCOC1 754169014 MTFOQJIJRDOSEJ-HOCLYGCPSA-N 269.429 3.526 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N[C@@H](C#N)CC(C)C 755843158 ZVZNGUSHFOUUDR-FWLQQBITSA-N 290.794 3.798 30 20 CHED C=C[C@@H](C)NC(=S)Nc1cccc(Cl)c1C 756798748 QWDRYBPVMRKBBA-MRVPVSSYSA-N 254.786 3.509 30 20 CHED C#CC[C@@H](Nc1cc(C(C)C)ncn1)c1ccccc1 756953918 UPBRPRXATVGNRC-OAHLLOKOSA-N 265.360 3.777 30 20 CHED C#CC[C@H](NCc1ccc(F)c(C)c1)c1ccccc1 756995830 KKTDISXUQPALOO-SFHVURJKSA-N 267.347 3.988 30 20 CHED CC(C)c1ncc(C=NNc2cnc3ccccc3n2)s1 758375774 ZNHMBUUVFQCTAD-UHFFFAOYSA-N 297.387 3.656 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(O)cc2F)c1 759212470 GIOUZFZUQAMAAN-UHFFFAOYSA-N 292.285 3.515 30 20 CHED COc1cc(F)ccc1NN=Cc1c(C)cccc1C 761885098 PQLSPKRNIGPVML-UHFFFAOYSA-N 272.323 3.897 30 20 CHED C#CCCc1noc(C2(c3ccccc3F)CCCC2)n1 762008448 DGTAOJNUXOBMEO-UHFFFAOYSA-N 284.334 3.635 30 20 CHED CC(CC1CC1)=NNCc1cnc2ccccc2c1 764779133 OHHYSSFELOOQBN-UHFFFAOYSA-N 253.349 3.500 30 20 CHED C[C@@H](OC(=O)CCc1cncc2ccccc12)C(C)(C)C#N 765607635 CIXJRAGACHUOQZ-CYBMUJFWSA-N 296.370 3.649 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H]2CC[C@@H](SC)C2)cc1 766220585 CSBUQJKMUPSVQJ-JLJPHGGASA-N 289.444 3.633 30 20 CHED C#CCCCSc1nnc2cc(C)c3ccccc3n12 766284611 NKIAIIDSEAJSFP-UHFFFAOYSA-N 281.384 3.696 30 20 CHED C#CCCCN1CCC(Oc2cc(C)ccc2C)CC1 766896377 SDIDNIBILKAJAT-UHFFFAOYSA-N 271.404 3.560 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(F)cc1F 767362992 PZDYMWPINLRNJY-UHFFFAOYSA-N 285.297 3.759 30 20 CHED CC(C)C1CCC(=NNC(=S)Nc2ccccn2)CC1 767803726 QEUMOYQHPQHTJR-UHFFFAOYSA-N 290.436 3.570 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)CCC1CC1 768027496 XNNAAIARWKRMIN-UHFFFAOYSA-N 271.360 3.721 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccnc(Cl)c1F 768826523 XTBBXRDKINJJSP-UHFFFAOYSA-N 298.745 3.751 30 20 CHED C=CC[C@H](NC(=O)N[C@@H]1CCC(C)(C)C1)c1ccncc1 768944223 HPEDGERIFOCMCD-CABCVRRESA-N 287.407 3.577 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CCC[C@@H]1C 769439100 ACUGGCBUTOLLET-HOCLYGCPSA-N 287.378 3.614 30 20 CHED CC(=NNCC(F)(F)F)C12CC3CC(CC(C3)C1)C2 769823883 AMOJRLAGYDEVEE-UHFFFAOYSA-N 274.330 3.731 30 20 CHED CCCCCCCC(=O)N[C@H](CO)c1ccccc1C 771221655 HODQWULSBBZLNC-MRXNPFEDSA-N 277.408 3.505 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@H]2c2ccccc2)cc1 771939276 PJMDMSKNFZKGSF-BEFAXECRSA-N 292.382 3.924 30 20 CHED C#CC[C@@H](N[C@H](C)c1cnc(C)s1)c1ccccc1 773113843 FTOIEYVOKCFNBW-IUODEOHRSA-N 270.401 3.867 30 20 CHED C#CCCCCC(=O)OCC(=O)c1c(C)cc(C)cc1C 773640635 NKGLRKWXMQXUFS-UHFFFAOYSA-N 286.371 3.531 30 20 CHED N#CCCCn1cc(C(=O)OC2CCC2)c2ccccc21 774114608 HEOWFFLMEOZPJW-UHFFFAOYSA-N 282.343 3.654 30 20 CHED c1ccc(C[C@H]2CCCC2=NOC2CCOCC2)cc1 774435665 UUSZMJQUUMNXIH-OAHLLOKOSA-N 273.376 3.581 30 20 CHED CO[C@@H]1CCC[C@@H]1C/N=C\c1c(O)ccc2ccccc12 774543533 XDKHMWANOCOLBN-QCIGAMRASA-N 283.371 3.779 30 20 CHED CSCC[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 775391423 BGPRHADBAJDQRQ-BLLLJJGKSA-N 274.433 3.667 30 20 CHED Cc1cc(C(=O)OCc2ccc(CC#N)cc2)sc1C 776113100 FJJQNMRHFAOAEO-UHFFFAOYSA-N 285.368 3.788 30 20 CHED CCNc1ccc(C#N)cc1NCCCOC(C)(C)C 776843609 CLRJOHRAUHTMLW-UHFFFAOYSA-N 275.396 3.607 30 20 CHED CCNc1ccc(C#N)cc1NCc1ncc(C(C)C)o1 776843846 JWPAOIYVCLMXED-UHFFFAOYSA-N 284.363 3.714 30 20 CHED COC[C@@H](C)NN=C1CCC[C@@H](C(C)(C)C)CC1 777893431 QPARYMVQYYEXSX-CHWSQXEVSA-N 254.418 3.593 30 20 CHED C=C(C)CN(C)C(=S)Nc1ccc(OC(C)C)cc1 777918241 LCCWXXPFESMGKD-UHFFFAOYSA-N 278.421 3.679 30 20 CHED CC(C)CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccccc1 780252284 HNCOZRCKXUOAEZ-MRXNPFEDSA-N 288.435 3.984 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1cnn(C(C)C)c1C 782288969 TUTOJKPVUYUQMZ-OAHLLOKOSA-N 276.428 3.665 30 20 CHED CCc1cc(Br)ccc1NN=C1CCO[C@@H]1C 783871201 BMBGTMLRRRIFHE-SECBINFHSA-N 297.196 3.588 30 20 CHED N#Cc1ccc(NN=Cc2cccc(F)c2)cc1Cl 783877752 OCHVDAKKMUISAX-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H](F)C(C)C)c1ccc(F)c(F)c1 784165251 JTMBJEJTAWMPCT-KBPBESRZSA-N 285.309 3.692 30 20 CHED CC[C@H](C#N)OC(=O)C1(Cc2ccccc2Cl)CC1 784281316 YCELPBIMVLIAAY-GFCCVEGCSA-N 277.751 3.508 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1cc(C)sc1C 785760734 YMHKWMRAUFVATM-OAHLLOKOSA-N 280.389 3.693 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccc(O)c(C)c3)cn2c1 789144749 XHAPUCFSHHUMDE-FNORWQNLSA-N 292.338 3.553 30 20 CHED CCCn1c(C=NNc2ncccc2C)nc2ccccc21 790193245 ZQENYWPEJVJRDP-UHFFFAOYSA-N 293.374 3.596 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cc(F)c(F)cc1C)OCC 791422682 NXQMRXQLSITGIX-CYBMUJFWSA-N 284.302 3.550 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C(C)=C\CC 791863864 FOGFYJYGSJXWGM-DHDCSXOGSA-N 257.377 3.948 30 20 CHED CC(C)Oc1ccc(N[C@H](C)[C@H]2CCCOC2)cc1C#N 793063137 MPPUQHWNHHQEGI-KGLIPLIRSA-N 288.391 3.572 30 20 CHED CC[C@H](C)CON=C1c2ccccc2CC12CCOCC2 793146978 WYNDLXUNCGJYLE-AWEZNQCLSA-N 287.403 3.806 30 20 CHED Cc1ccc(-c2ccc(C=NNc3ncncc3F)o2)cc1 793210812 DVEOBLMIWGJANM-UHFFFAOYSA-N 296.305 3.630 30 20 CHED CCCCNN=C(C)[C@@H](C)c1ccc(OC)c(OC)c1 794493764 LHVNGBZKUBKECE-GFCCVEGCSA-N 278.396 3.573 30 20 CHED CC(C)[C@H](C=NNc1nccnc1Cl)c1ccccc1 794511357 AKXSAGJYXRAUMJ-ZDUSSCGKSA-N 288.782 3.968 30 20 CHED CC(C)C[C@@H]1CCCC(=NNCC(F)(F)F)C1 794534489 ITIQWWQHUJNBJT-JTQLQIEISA-N 250.308 3.731 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccnn2-c2ccccc2C)o1 794939862 UVPIIWUJMKJPMS-HJWRWDBZSA-N 292.338 3.978 30 20 CHED O=C(/C=C/c1ccc(C(F)F)cc1)c1cscn1 794945713 JQZNIVSPMKQXQY-ZZXKWVIFSA-N 265.284 3.977 30 20 CHED C=C(C)CCOC(=O)c1ccc(C(C)(C)C#N)cc1 796734572 NSLZVOYEMNAXSF-UHFFFAOYSA-N 257.333 3.611 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cccc(C(F)(F)F)c1 796857539 PQCJYXMAXABCLK-ZDUSSCGKSA-N 285.265 3.688 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(C)nc(Cl)c1 797605991 XCVMIDKHBZZKFN-CYBMUJFWSA-N 250.773 3.584 30 20 CHED C#C[C@@H](NC(=O)c1ccc(-c2ccsc2)nc1C)C(C)C 799048435 JTSSSKQSKRYTAF-OAHLLOKOSA-N 298.411 3.506 30 20 CHED CC(C)C[C@@H](C)C=NNc1ccc(C(F)(F)F)nn1 799112218 QESZCLBTWURKQL-SECBINFHSA-N 274.290 3.575 30 20 CHED C#CCCNc1ccc(OCC(F)(F)F)c(Cl)c1 799971219 XRDNKSVWNWAMQB-UHFFFAOYSA-N 277.673 3.716 30 20 CHED FCCC[C@@H]1CCCC1=NNc1ccnc(F)c1 800815622 HTQCQCOACHMBDS-JTQLQIEISA-N 253.296 3.538 30 20 CHED C=C(C)CCOC(=O)c1ccccc1NC(=O)C(C)(C)C 803351613 RJKMVTFFSSEEHF-UHFFFAOYSA-N 289.375 3.794 30 20 CHED C=CCCCCCCNC(=O)N1CCS[C@@H](C)CC1 806004648 JWBCOHFWQFQXDB-AWEZNQCLSA-N 284.469 3.660 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1F 806116539 DFQZDLUDBZAFJH-UHFFFAOYSA-N 296.345 3.801 30 20 CHED C#C[C@@H](NC(=O)C1(c2cccc(C)c2)CCC1)C(C)(C)C 807879383 BNZZHINNOHLWKV-MRXNPFEDSA-N 283.415 3.581 30 20 CHED CC(C)(C)c1ccc(C(=O)/C=C/c2cnccn2)cc1 809152016 MTDDMGGQAAPFFD-CMDGGOBGSA-N 266.344 3.670 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1ccccc1C1CC1 811665246 MRVOAISRXQJMCH-HNNXBMFYSA-N 294.398 3.955 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1cc2ccccc2[nH]1 811665705 SIMJZTNSFRUEFT-AWEZNQCLSA-N 293.370 3.559 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(C)c2)cc1O 811698653 MPBGODTVDZMNIR-VURMDHGXSA-N 268.312 3.605 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)cc1O 811698765 NHVIZCXFPIITMX-RQOWECAXSA-N 290.265 3.575 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)c1ccc(Cl)cc1 811883298 RCHBAWPQKCCERY-UHFFFAOYSA-N 297.785 3.917 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNCc2ccccc2)cc1 812434164 YTWJEVAQZVTAPT-UHFFFAOYSA-N 290.370 3.509 30 20 CHED CC(C)[C@@H](OC(=O)CCCC#N)c1ccc(F)c(F)c1 813080850 HEJOPRPGMXOPEF-OAHLLOKOSA-N 281.302 3.899 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C2(F)CCCCC2)cc1 813428545 ZQPDIVXIKHVTSZ-UHFFFAOYSA-N 288.366 3.914 30 20 CHED CCc1ccc(C#CC(=O)Nc2cccc(F)c2F)cc1 814643220 ORGRLUDLZLJOFL-UHFFFAOYSA-N 285.293 3.517 30 20 CHED CCOc1ccc(NC(=S)NN=C2CC[C@@H](C)C2)cc1 814717985 YHRYVPJTPWRBGJ-LLVKDONJSA-N 291.420 3.548 30 20 CHED C#CCOCSc1ncc(-c2ccc(Cl)cc2)o1 814738403 XGUHFMNJZOXPMS-UHFFFAOYSA-N 279.748 3.694 30 20 CHED CC(Cc1ccc(O)cc1)=NNc1cc(F)c(F)cc1F 814849692 GYIGLWGKTUZLIV-UHFFFAOYSA-N 294.276 3.840 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1csnn1 814860698 KDZHGQVSJQRKCD-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 814936935 OKSQQOLZUCSABZ-LBPRGKRZSA-N 297.345 3.862 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)OCCOCCC#N 815211764 ZCRRRUYAORPMKY-INIZCTEOSA-N 295.423 3.702 30 20 CHED C=CCCCCCCCNC(=O)c1ncc(C#N)cc1C 816746489 BNQNXGAMGMGVTO-UHFFFAOYSA-N 285.391 3.518 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1cccc(C2CC2)c1 817342681 FLQIALCBOAZYTN-TWGQIWQCSA-N 266.344 3.502 30 20 CHED C/C(=C\C(=O)N(C)CC(C)(C)C#N)c1ccccc1Cl 817617918 KTJWZEIFYPDKRN-FMIVXFBMSA-N 290.794 3.751 30 20 CHED C=CCCCNC[C@@H](O)c1ccc(Cl)cc1Cl 819272683 DBIPLSPPJFGFSA-CYBMUJFWSA-N 274.191 3.583 30 20 CHED C=CCC(C)(C)CNC[C@H](O)c1cccc(Cl)c1 819331148 LRMHVGFMRBHMNK-AWEZNQCLSA-N 267.800 3.565 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1ccc(C)c(C)c1 819814683 DRMBEMWOFWZTMB-CQSZACIVSA-N 267.376 3.773 30 20 CHED C#C[C@H](NC(=O)N1CC2(CCC2)[C@H]1C(C)C)c1ccccc1 820591306 PPYIWKZKCIIBJM-DLBZAZTESA-N 296.414 3.581 30 20 CHED C=CC[C@H](C(=O)OC[C@]1(C)C[C@@H]1F)c1ccccc1 822127195 CQMHVXLBUKTPBW-DZKIICNBSA-N 262.324 3.638 30 20 CHED CN1CCCc2cc(CNC3CCC(C)(C#N)CC3)ccc21 823729708 JGXPTHBEOZBPBC-UHFFFAOYSA-N 297.446 3.631 30 20 CHED CCCCCCCCNC(=O)[C@H]1CC12CCSCC2 827323986 VQUNXLOAZJOTBC-CQSZACIVSA-N 283.481 3.996 30 20 CHED Cc1ccc([C@@H](C)Nc2nc3c(cc2C#N)COCC3)s1 827441721 ARZMRSCJRGYFRJ-LLVKDONJSA-N 299.399 3.569 30 20 CHED C#CC[C@@H](Nc1nc(C(C)=O)c(C)s1)c1ccccc1 827821584 RYEDQVZRHPNZEI-CQSZACIVSA-N 284.384 3.831 30 20 CHED CCON(CC1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 832791732 YXVVJUNPEHKFKG-HUUCEWRRSA-N 250.386 3.512 30 20 CHED C=CCC1(C(=O)N(OC)[C@H](C)c2csc(C)n2)CCC1 833743628 JOTNGKOUOIQMDQ-LLVKDONJSA-N 294.420 3.649 30 20 CHED COc1nccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)n1 834401327 WTAKRYHSXHQUTD-MDZDMXLPSA-N 296.370 3.679 30 20 CHED CC(CC(C)(C)C)=NNc1cnc2ccccc2n1 834954100 HJHVZBJJXRRMPQ-UHFFFAOYSA-N 256.353 3.854 30 20 CHED c1ccc2c(NN=C3CCCC34CCC4)cnnc2c1 834958420 NSPZVDLIRCPZCD-UHFFFAOYSA-N 266.348 3.752 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)[C@@H]1C[C@H]2CC[C@H]1O2 834963823 SQTCEESWOUMKBC-UHIISALHSA-N 282.746 3.834 30 20 CHED CC(CCc1ccccc1F)=NN[C@@H](C)C(F)(F)F 834998996 AIBNBBGRRUSLIQ-JTQLQIEISA-N 276.277 3.675 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1NCC(F)(F)F 837372237 KPSKNZOXSPRDJB-UHFFFAOYSA-N 298.308 3.649 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C[C@@H]2CCc3ccccc32)C1 839050452 LNDXYVPYJUVPAZ-KBMXLJTQSA-N 283.371 3.732 30 20 CHED C#CCC1(C(=O)Nc2ncc(CCCC)cn2)CCCCC1 839433815 HZKRWHFRPDTUIM-UHFFFAOYSA-N 299.418 3.732 30 20 CHED COC1(CC/N=C\c2c(O)ccc3ccccc23)CCC1 840707601 WUXXYKFXGBDEDJ-UYRXBGFRSA-N 283.371 3.924 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)C[C@H]1CCOC1 840887713 NKNAZTBZYNZYAJ-CGTJXYLNSA-N 273.420 3.579 30 20 CHED Cc1cc(NC(=O)/C=C2\CC[C@@H](C)C2)c(C#N)cc1N(C)C 841240317 PWRVFLBOLKPOPL-ZMTLZGASSA-N 297.402 3.618 30 20 CHED C#C[C@@H](OC(=O)C1(F)CCCCC1)c1ccccc1 842391354 LPWHECLFHIKSBR-CQSZACIVSA-N 260.308 3.577 30 20 CHED C[C@@H]1CCCCCC1=NNc1cnnc2ccccc12 844580960 FSTPUOJVOLQJCU-GFCCVEGCSA-N 268.364 3.998 30 20 CHED CCCCCCCCCNC(=O)N1C[C@H]2[C@H](C1)C2(F)F 844865719 ZVAZUMYCBLDREN-STQMWFEESA-N 288.382 3.644 30 20 CHED C=CCN(C(=O)c1cc(Cl)nc(C2CC2)c1)C(C)C 846810205 CWMCYNAMTSYDHP-UHFFFAOYSA-N 278.783 3.649 30 20 CHED CCCCCCCCC(=O)N(C)[C@@H](C)c1nc(C)no1 847213192 QRSWJDCMGARCKT-LBPRGKRZSA-N 281.400 3.648 30 20 CHED COc1ccc(CNN=Cc2ccccc2C(C)C)cc1 848402775 HKZZCYGFLQQHPC-UHFFFAOYSA-N 282.387 3.942 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1c(Cl)cnn1C)C2=O 848642301 DCLVZSITDODOHV-GHXNOFRVSA-N 286.762 3.513 30 20 CHED Cn1ccc(C(=O)OCCCCC#N)c1-c1ccccc1 849971903 SHYITTPCTRCSCZ-UHFFFAOYSA-N 282.343 3.543 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851205012 GAWIQCRLDCLIHQ-XQQFMLRXSA-N 251.370 3.684 30 20 CHED C=C[C@H](OC(=O)c1cc(C(C)C)n(C)n1)c1ccccc1 851451426 HQMKCWNMFPJLFD-INIZCTEOSA-N 284.359 3.628 30 20 CHED CCCn1nccc1/C=C1\Cc2cc(Cl)ccc2C1=O 853006300 RJJJSAFPWRBWJN-ZRDIBKRKSA-N 286.762 3.769 30 20 CHED CCOc1ccc(NN=C(C)CC(C)(C)C#N)cc1 853352066 DZUBYJSCULWLHW-UHFFFAOYSA-N 259.353 3.813 30 20 CHED CCCCCCC[C@@H](C)NCC1(C(=O)O)CCC1 854244370 BTXQOUPYZQOAST-CYBMUJFWSA-N 255.402 3.580 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1ccc(F)cc1)C(C)(C)C 857650673 BXXAJKKQTZSWTC-CYBMUJFWSA-N 277.383 3.817 30 20 CHED CC(=NNc1cccc(F)c1Cl)[C@@H]1C[C@H]2CC[C@H]1O2 863158866 VGRDCLFWCIHDBT-GBIKHYSHSA-N 282.746 3.834 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc([C@@H](O)C(F)(F)F)cc2)C1 866417369 OSYRJTVJGOUWSE-LERXQTSPSA-N 298.308 3.777 30 20 CHED CC(C)(C)CCCCC(=O)Nc1ncc(C#N)s1 896489436 ONHHYBFGDYLQJR-UHFFFAOYSA-N 265.382 3.560 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1cc(F)ccc1F 899342878 IIKPIWKQRVUVTP-QPJJXVBHSA-N 288.297 3.782 30 20 CHED CCO[C@@H]1CCC[C@H](N[C@@H](CCC#N)c2ccccc2)C1 902884945 QCRLNLDSFSCGCZ-KSZLIROESA-N 286.419 3.969 30 20 CHED CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1cccc(C#N)c1 902889333 HHNQLZQWJDQUKB-WFASDCNBSA-N 297.406 3.602 30 20 CHED N#CC1(CCCCOC(=O)[C@H]2CCCSC2)CCC1 909333774 AGGPJCBQZRJLFI-ZDUSSCGKSA-N 281.421 3.537 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(C(=O)O)c(C(C)C)s1 910705616 LHYCGUWJGCBBFB-UHFFFAOYSA-N 296.392 3.506 30 20 CHED CCC(=NNc1nc2ccccc2n1C)c1cccs1 915968282 VQCIBFAOFJLVIJ-UHFFFAOYSA-N 284.388 3.861 30 20 CHED CC[C@@H](C)C(C)=NNc1ccc(Cl)c(C(=O)O)c1 916259267 ABSUQWSLDYGXLJ-MRVPVSSYSA-N 268.744 3.872 30 20 CHED CCCOc1ccc(C=NNc2ccccn2)cc1OCC 916276041 HZJCEABIGHQNHO-UHFFFAOYSA-N 299.374 3.715 30 20 CHED O=[N+]([O-])c1ccccc1C=NNc1ccc2ccccc2n1 916286458 GIBLUZPAGYWNOJ-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C/N=C/c2ccccc2O)o1 917556788 MYZNRJHXTDUMJE-NBAUWIOGSA-N 255.317 3.728 30 20 CHED C=CCc1cc(OCC)cc(CN(C)[C@@H](C)C(C)C)c1O 919940417 GDRDZMONYHIJLC-AWEZNQCLSA-N 291.435 3.996 30 20 CHED C#CCN(CC)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 920061634 ZIUSDCYQIHHXEI-GJZGRUSLSA-N 278.440 3.504 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NNc1cccc(F)c1 920386399 ZGOBMFRUZYHCAW-UHFFFAOYSA-N 294.761 3.782 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)OCc1cccc(C#N)c1 920731604 RLJYDEQWCKADNY-BBRMVZONSA-N 271.360 3.818 30 20 CHED CCC[C@H](/N=C\c1ccc(O)c(O)c1O)c1ccccc1 920947160 DLGWRNDUNCVSCX-DZBQEORWSA-N 285.343 3.764 30 20 CHED Cc1cccnc1NC=C1C(=O)CC2(CCCCC2)CC1=O 920976077 GBVIBQXMVOEBNQ-UHFFFAOYSA-N 298.386 3.568 30 20 CHED C[C@@H]1Cc2cc(CN[C@H](C)c3ccc(C#N)cc3)ccc2O1 921516984 WXZRGBXRZSINLQ-ZIAGYGMSSA-N 292.382 3.732 30 20 CHED N#CCCCNCc1cccc(COc2ccccc2)c1 921984162 GQFJUDKMEYXTJA-UHFFFAOYSA-N 280.371 3.659 30 20 CHED C#CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)C(C)C 928626622 OBMBGMMXMXWGJK-UHFFFAOYSA-N 297.320 3.665 30 20 CHED C#Cc1ccc(NC(=O)N(CC)C(CC)CC)cc1 934925883 QZBALGNMQCYBDJ-UHFFFAOYSA-N 258.365 3.710 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F 1116437769 SQTJSVHLMHHQPI-VIFPVBQESA-N 287.281 3.571 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc3cccc(F)c3o2)c1 1132445846 NREIRDFMKYLOLH-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CC(C)CN(CC(C)C)c1ccc(Cl)c(C#N)n1 1163577631 YWJMBFWWBFLYGP-UHFFFAOYSA-N 265.788 3.725 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC[C@@H]2C2CC2)cc1F 1182358128 ZUYYXKHPBNLCLM-HZPDHXFCSA-N 272.367 3.613 30 20 CHED C(#Cc1nnc(-c2cccc3ncccc23)o1)c1ccccc1 1261568437 WDPXNVZGVCEECU-UHFFFAOYSA-N 297.317 3.685 30 20 CHED Cc1nc(N2CCc3cc(F)ccc32)c(Cl)cc1C#N 1307104579 PJPREVXWEUYMSR-UHFFFAOYSA-N 287.725 3.748 30 20 CHED Cc1ccc([C@@H]2C[C@H]2Nc2cccc(F)c2C#N)cc1 1307148304 OQCPQKCWGNDNCB-SUMWQHHRSA-N 266.319 3.974 30 20 CHED C=C(Br)CN1C[C@H](C)C[C@H]1c1ccccc1 1307754464 WWVJXRXCOWEWTB-RISCZKNCSA-N 280.209 3.978 30 20 CHED C=C[C@H](C)NC(=O)c1nc(-c2ccccc2)oc1C(C)C 1319074248 ZVLJNQWZGPFETD-LBPRGKRZSA-N 284.359 3.769 30 20 CHED C=CCCCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1319362537 TVTHHENNTLWITF-CQSZACIVSA-N 297.402 3.625 30 20 CHED C#CCCCCc1nnc(CCCc2ccccc2)o1 1324179166 UATIHFSYYSYYDP-UHFFFAOYSA-N 268.360 3.591 30 20 CHED C[C@H]1CC(=NNc2ccccc2Cl)C[C@@H](C)O1 1324848537 QKCITTLCFKRBIC-AOOOYVTPSA-N 252.745 3.695 30 20 CHED CCCCCCCN[C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 1324965340 OQGQQJPYOVJMKY-XHSDSOJGSA-N 278.444 3.568 30 20 CHED N#Cc1ccccc1N(C(=O)Cc1ccsc1)C1CCC1 1331470186 ZKGSHQDQELLFTN-UHFFFAOYSA-N 296.395 3.748 30 20 CHED Cc1ccccc1[C@H](C)C(=O)OCC(C)(C)CCC#N 1345925556 UBRBMMYFHRGUBF-AWEZNQCLSA-N 273.376 3.972 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cs1 1351600687 KOXMEPOUZAGXQK-UHFFFAOYSA-N 296.273 3.891 30 20 CHED CC(C)N1CCCC[C@@H]1CN(CCC#N)CC(C)(C)C 1459544607 ZDMOVPLCRINBPV-MRXNPFEDSA-N 279.472 3.511 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1cc(C#N)ccc1F 1515340490 ZOPUJWOKDYGKJO-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)/C=C\SC)c1cccs1 1515589772 ORDHZCGLGOHKRW-RRJFDULASA-N 281.402 3.759 30 20 CHED CCO[C@H](CC)C(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1519365385 LEZXJZCKBFRJQL-BZPMIXESSA-N 295.404 3.697 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1C 1520423813 UMTPELBPEHKONS-IJLUTSLNSA-N 274.339 3.708 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1CCCC1 1521338606 XDLPTGBCHNJIDO-HNNXBMFYSA-N 290.794 3.910 30 20 CHED CCC1(CNC(=O)c2cc(C#N)ccc2C)CCCCC1 1521725380 QYPRYVFGSDAIGL-UHFFFAOYSA-N 284.403 3.957 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)OCC2(C#N)CCCC2)c1 1524779584 BTMNAEXGHCPOHC-JKSUJKDBSA-N 283.371 3.726 30 20 CHED CC[C@H](OC(=O)C(C)(C)C#N)c1ccc(C)c(F)c1 1535606583 MFBWYAHLEOCOSR-ZDUSSCGKSA-N 263.312 3.678 30 20 CHED C=C(CC(C)C)C(=O)N1CCSC[C@H]1c1ccc(C)o1 1548661692 FUMOTIPZWKWVKJ-AWEZNQCLSA-N 293.432 3.807 30 20 CHED Cc1ccc(C#N)cc1N[C@@H]1CCc2cccnc2CC1 1560497272 IZRUAZSVQQTCRT-MRXNPFEDSA-N 277.371 3.621 30 20 CHED Cc1cc(C#N)cc(NCc2ccc3c(c2)C[C@H](C)O3)c1 1560504362 RJZCKVBNPNOYDT-ZDUSSCGKSA-N 278.355 3.802 30 20 CHED Cc1cc(CN2CCC[C@H]2C(C)(C)C)ccc1C#N 1560667924 WDWMPQJDQRQJBM-INIZCTEOSA-N 256.393 3.877 30 20 CHED CC(C)(CC#N)CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 1560878614 AHYCLEBOBYBRGB-KBPBESRZSA-N 278.440 3.642 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CCCn2cccc2)cc1 1584080924 RZAJDTMMWSBHPR-UHFFFAOYSA-N 295.386 3.524 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2c(C)cccn2c1 1587421902 UNMHQWKHAJZHKS-UHFFFAOYSA-N 289.338 3.680 30 20 CHED C=CC[C@H](C(=O)O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 1588729107 HDHNJACOEKRCCK-USXIJHARSA-N 287.403 3.531 30 20 CHED C=CC[C@H](C)N[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 1588735534 DCSJXOZEDLIETF-QPUJVOFHSA-N 288.174 3.673 30 20 CHED C=CCCCC(=O)O[C@H](c1ccc(C(=O)O)cc1)C(F)F 1588783042 VCPPTUWHILPDGS-CYBMUJFWSA-N 298.285 3.591 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C)c(F)c(C)c2)c1 1597281454 SRXJFXSUNXPDPA-UHFFFAOYSA-N 282.318 3.875 30 20 CHED COc1cc(C#N)ccc1CN[C@H]1CCC(C)(C)C[C@@H]1C 1617401673 OLWQPWAGHUAIJB-BBRMVZONSA-N 286.419 3.871 30 20 CHED N#Cc1cccc(NCc2ccc(OC(F)F)cc2F)c1 1620876112 HCDVQENDSPFODW-UHFFFAOYSA-N 292.260 3.911 30 20 CHED COc1ccc(C#N)cc1NC1C[C@H](C)C[C@@H](C)C1 1621239119 KYNWAHSVCOGNEE-VXGBXAGGSA-N 258.365 3.803 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](C#N)C1 1631058263 VYVJCUBZVKNNLL-HRCADAONSA-N 291.439 3.536 30 20 CHED C[C@H]1CCCc2ccccc2[C@@H]1N=c1cc[nH]c(C#N)c1 1642545147 GTFFCQBGBOHSOF-SCLBCKFNSA-N 277.371 3.501 30 20 CHED CC(C)(C#N)CCN1CCC[C@H]1COc1ccc(F)cc1 1648449786 SHRDHHQBDRIFSR-HNNXBMFYSA-N 290.382 3.609 30 20 CHED COc1cc(CN(C)[C@H](C)C2CCCCC2)ccc1C#N 1652298672 XPLMFVYIRNNWQH-CQSZACIVSA-N 286.419 3.967 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1C[C@H]1C1CCCCC1 1655198648 MCLDGRHKYGARFC-HOTGVXAUSA-N 265.360 3.811 30 20 CHED CCNc1ccccc1CNCc1ccc(C#N)c(Cl)c1 1656146015 MWYLICBIXYYLQC-UHFFFAOYSA-N 299.805 3.933 30 20 CHED O=C(O)c1cc(C=NOC2CCCCC2)sc1Cl 1776056411 JQMIUQQJLYTGHT-UHFFFAOYSA-N 287.768 3.783 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(CC(=O)O)c2)cc1 1776114125 GRZTVPWOYCBKMW-JXMROGBWSA-N 280.323 3.518 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCC2=CCCCC2)C1 1776153058 GRGJCDAXKNHSME-KRWDZBQOSA-N 277.408 3.620 30 20 CHED C=CCN(CCc1ccccc1C(=O)O)Cc1ccccc1 1776179621 YPXWMRBNEHKAFP-UHFFFAOYSA-N 295.382 3.616 30 20 CHED C=C(Cl)CSc1nc(-c2ccc(CC)cc2)n[nH]1 5180577 RVVGSIZJUPABCU-UHFFFAOYSA-N 279.796 3.879 30 20 CHED C[C@@H](/N=C/c1ccccc1O)c1ccc(F)cc1F 5293542 YCWXLVCNJZEUQL-SVXRXWARSA-N 261.271 3.851 30 20 CHED CCc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C#N)c1 7240958 LFPPNHSGOFJMGX-ZDUSSCGKSA-N 293.370 3.560 30 20 CHED C#Cc1cccc(NC(=O)c2ccccc2Cl)c1 23009678 PBDKJUKLIKVNHC-UHFFFAOYSA-N 255.704 3.574 30 20 CHED CCc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 28967705 ZZTXFOQBFHJCQG-UHFFFAOYSA-N 271.360 3.503 30 20 CHED COc1cccc(/C=C2/Cc3ccccc3C2=O)c1OC 33406504 XXVAUZIRWUKFIA-KAMYIIQDSA-N 280.323 3.526 30 20 CHED C[C@@H](NC[C@@H]1CC=CCC1)c1ccc(OCC#N)cc1 45629101 JLSNBGSNAGRZQH-HUUCEWRRSA-N 270.376 3.596 30 20 CHED Cc1cc(C#N)nc(Nc2ccc(C(C)(C)C)cc2)n1 49657795 WZNHIAYCFZPZMT-UHFFFAOYSA-N 266.348 3.698 30 20 CHED CCCCN(CCCC)C(=O)c1ccc(CC#N)cc1 58242395 SPZPJPNUOHJKGW-UHFFFAOYSA-N 272.392 3.795 30 20 CHED CC(C)(C)c1ncc(CNc2ccc(C#N)cc2)s1 62838806 VINCPMMDFWKDHQ-UHFFFAOYSA-N 271.389 3.924 30 20 CHED C[C@H](CC#N)NC(=O)Cc1coc2ccc3ccccc3c12 64346449 XLABFUULWZWKHX-GFCCVEGCSA-N 292.338 3.547 30 20 CHED CCc1ccsc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 66516514 AAKYULURHOWNOY-LLVKDONJSA-N 296.351 3.942 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2[nH]c(C(F)F)nc2c1 68318886 QUKQPCLBSGDMNI-UHFFFAOYSA-N 293.317 3.539 30 20 CHED COc1ccccc1[C@@H]1CCCN1Cc1cccc(C#N)c1 69085661 MAFLAJQUUDWFBC-SFHVURJKSA-N 292.382 3.904 30 20 CHED C=CCCCNc1ccc(C(=O)NCCC)c(Cl)c1 77245485 MKPQAMUJIOWQNN-UHFFFAOYSA-N 280.799 3.858 30 20 CHED N#Cc1ccc(F)c(CNc2c(Cl)cccc2C#N)c1 78474656 ULFCOTDEZUTUML-UHFFFAOYSA-N 285.709 3.835 30 20 CHED C=CCCC(=O)Nc1cc(-c2nc(CC)no2)ccc1C 79602825 FSRJHCHBNNSYBK-UHFFFAOYSA-N 285.347 3.512 30 20 CHED C=CCOCCCC(=O)N[C@H](c1ccccc1)C1CCC1 80034617 HSHPNYKFMGGXIW-GOSISDBHSA-N 287.403 3.627 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(C#N)c1 82349236 OZUNHCUIWMXTJJ-RDTXWAMCSA-N 290.366 3.576 30 20 CHED CC[C@H](C(=O)N[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 84186794 QZDFMMRHYWRIME-MFKMUULPSA-N 298.308 3.617 30 20 CHED COc1ccc(CNc2ccc(C)c(F)c2)cc1C#N 87822421 SXZZJELVHRGGQS-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(C(F)(F)F)c1F 94351138 QWQCQIUXGCJQLK-UHFFFAOYSA-N 289.272 3.883 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cccc3c2OCO3)cc1 97152181 QPLUXZVHXSGISZ-FLIBITNWSA-N 296.322 3.710 30 20 CHED CCCCCCCC(=O)Nc1cccc(C(=O)N(C)C)c1 100316248 IPHJRAZEFPIHJG-UHFFFAOYSA-N 290.407 3.687 30 20 CHED C=C(CNCc1ccc(OC)cc1OC)c1ccccc1 110057663 RIKUGHDHWUAXRF-UHFFFAOYSA-N 283.371 3.507 30 20 CHED C=CCNC(=O)Nc1cccc(-c2ccccc2OC)c1 111774091 FCILXGLQKPFDRK-UHFFFAOYSA-N 282.343 3.670 30 20 CHED C#CCCCCC(=O)N[C@H]1c2ccccc2CC[C@@H]1C 120345101 JRHFVERSLGYYGQ-KBXCAEBGSA-N 269.388 3.620 30 20 CHED C#CCCCCC(=O)Nc1cc(-c2ccccc2)ns1 120479340 IRHDBFDDIAHDJO-UHFFFAOYSA-N 284.384 3.942 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cc2c(s1)CC[C@H](C)C2 120719037 WHQZDLVQWNJWRI-ZBEGNZNMSA-N 290.432 3.541 30 20 CHED CC(C)(C#N)CCCN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 124753169 DKMFTAIMPUPYBH-BBWFWOEESA-N 292.467 3.722 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H]1C1CCCCC1 125374865 CTELQSQLZIYIEI-ZBFHGGJFSA-N 279.424 3.539 30 20 CHED C=CCCSc1nncn1-c1cccc(Cl)c1 128655541 ZECJYHIRAJMBJS-UHFFFAOYSA-N 265.769 3.589 30 20 CHED Cc1cncc(C/N=C/c2c(O)ccc3ccccc23)c1 130526236 ZLLYZAAOHDASRG-UDWIEESQSA-N 276.339 3.868 30 20 CHED C=CCC[C@H](C)Nc1cccc(NC(=O)C2CC2)c1 130603478 MGBWEJIIKQAHCY-LBPRGKRZSA-N 258.365 3.802 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2C2CCCC2)s1 130962328 AJZRXXZGNPOMGO-OAHLLOKOSA-N 260.406 3.774 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 131580687 LIBDSFYGXVVHHY-HNNXBMFYSA-N 288.778 3.789 30 20 CHED C=C(Br)CNCc1ccc(N(CC)CC)cc1 134402405 QBGKJIJFOHVZHH-UHFFFAOYSA-N 297.240 3.531 30 20 CHED CC[C@@H](CC#N)NCc1ccc(Br)cc1C 135040701 OGMZGYVSOPEZTJ-ZDUSSCGKSA-N 281.197 3.539 30 20 CHED CC(C)(C)CCNc1c(C#N)cnc2ccccc12 135051725 RHYGMSAUOCGDGR-UHFFFAOYSA-N 253.349 3.955 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2cncc(F)c2)c1 150953136 XHGJAZJWNUBFSK-VOTSOKGWSA-N 285.318 3.906 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 151053515 PJYDUGBIYUPRBL-YJBOKZPZSA-N 299.414 3.743 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc(C)cc2)CC1 153043213 ZPZRWXWDSAOWLR-MRXNPFEDSA-N 272.436 3.686 30 20 CHED C#CC[C@H](OC(=O)c1coc(-c2ccccc2)n1)C(C)(C)C 159842614 VPWLKQDJEIWFQN-HNNXBMFYSA-N 297.354 3.936 30 20 CHED N#Cc1cc(NC(=O)CC2CCCCCC2)ccc1F 162001186 MMYHTYUIYDUTLY-UHFFFAOYSA-N 274.339 3.996 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(OC)c(Cl)c1 164304046 VHVZBAROCYPZMV-UHFFFAOYSA-N 293.794 3.733 30 20 CHED Cc1cc2ncn(Cc3ccc(C#N)cc3C)c2cc1C 165512845 OODJAXONTCBRFD-UHFFFAOYSA-N 275.355 3.882 30 20 CHED Cc1cccc2[nH]cc(CC(=O)Nc3sccc3C#N)c12 171426786 PTYLJYFIGBNCIT-UHFFFAOYSA-N 295.367 3.591 30 20 CHED C=CCCCC(=O)Nc1ccc(OCC(F)(F)F)cc1 175164275 PVGZEWCEJLLZFM-UHFFFAOYSA-N 287.281 3.923 30 20 CHED N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 175236694 NNWRKXWQEVOKPV-OAHLLOKOSA-N 299.761 3.517 30 20 CHED CCOc1cc(/C=C2/Cc3ccc(F)cc3C2=O)ccc1O 176410429 HPVASIYLBBRLSQ-QPEQYQDCSA-N 298.313 3.752 30 20 CHED C=CCCCN1C[C@H](CCN2CCCC2=O)c2ccccc21 177432191 JXJFKDRPKUPBSY-INIZCTEOSA-N 298.430 3.569 30 20 CHED C=C(C)CS[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 177869239 CBVMLJHVYPTSDK-VXGBXAGGSA-N 281.396 3.701 30 20 CHED C=CCCCC(=O)NOCc1ccc(C(F)(F)F)cc1 178748641 DEZVZCGVAFSUNM-UHFFFAOYSA-N 287.281 3.610 30 20 CHED C=CCC[C@H](NCc1cccc(OC)n1)c1ccccc1 178759563 FUUGYQHKKILATO-KRWDZBQOSA-N 282.387 3.887 30 20 CHED C#CCCCCC(=O)NC1(c2ccc(OC)cc2)CCCC1 179946664 WJVVIBWJRPEOEK-UHFFFAOYSA-N 299.414 3.774 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCc2occc21 180459362 CWBYXPAGYCIYHV-GXTWGEPZSA-N 276.380 3.701 30 20 CHED C=CCCOCCN[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 181025817 OSULYMVAKBVMNX-HNNXBMFYSA-N 298.430 3.516 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 181643804 QBXHLVXQBPAZLD-UHFFFAOYSA-N 299.374 3.998 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1 182182762 BZQQQTBGLPDAMH-KSMMKXTCSA-N 279.449 3.819 30 20 CHED CC#CCNc1cc(NC(=O)OC(C)(C)C)ccc1C 182309940 OWTIAXLAHVJHQZ-UHFFFAOYSA-N 274.364 3.777 30 20 CHED CC(C)(CC#N)COC(=O)CCCc1c[nH]c2ccccc12 184780369 BREGJRAZZSPQMH-UHFFFAOYSA-N 298.386 3.974 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(SCC)c1 185563670 DPFAKJUOCZCOAS-UHFFFAOYSA-N 261.390 3.787 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 185623114 LBQIEWQIWNYTPF-HIFRSBDPSA-N 287.378 3.580 30 20 CHED CCCOc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 185725556 KWRKKGXMQJINIE-ZIAGYGMSSA-N 258.365 3.970 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2cc3ccccc3o2)C1 185838368 DFYCRZSJITUIHE-HIFRSBDPSA-N 268.360 3.647 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2coc(-c3ccccc3)n2)C1 185844054 MQEANFGYAIWJIR-HIFRSBDPSA-N 281.359 3.514 30 20 CHED Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OCC2CC2)c1 185863345 HIGYDGDLZDZJDQ-AEFFLSMTSA-N 298.430 3.956 30 20 CHED C=C(C)[C@H](N[C@H](C)CCOC)c1ccc(F)c(F)c1 186449170 RQSKKSKEYNTNET-ABAIWWIYSA-N 269.335 3.597 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc(C)c1O)c1ccccc1 187333713 XZPLGINFNDBMHS-OAHLLOKOSA-N 281.355 3.999 30 20 CHED C=CC[C@@H](C(=O)NCC1(C2CC2)CC1)c1ccccc1 188777423 LIYPCSHBRQZSIA-MRXNPFEDSA-N 269.388 3.653 30 20 CHED C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1CCCCC#N 189495986 GHZBNDVWOQLMSS-BBRMVZONSA-N 292.810 3.796 30 20 CHED N#Cc1ccc(CC(=O)N2CCC=Cc3ccccc32)cc1 190126642 SJVGLKSAWIWQBY-UHFFFAOYSA-N 288.350 3.551 30 20 CHED N#Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1Cl 190246758 GVGGYWTXJNVUKR-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C[C@H](S[C@H](C)c1cccc(C#N)c1)C(=O)NC(C)(C)C 190908718 JRRFMMXDUJUZGA-NEPJUHHUSA-N 290.432 3.656 30 20 CHED CC(C)(C(=O)NCCCCC#N)c1ccc(Cl)cc1F 191524712 VHWRRCNMTPKNEC-UHFFFAOYSA-N 296.773 3.567 30 20 CHED C#CCCCC(=O)N1CCC[C@@H](c2ccccc2)CC1 192038268 ZPCWRJMJCNMGIH-QGZVFWFLSA-N 269.388 3.586 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 192171073 BXDPWVGZZXWRGH-QGZVFWFLSA-N 269.388 3.770 30 20 CHED Cc1ccccc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 193229762 HSOWDCCFOGQRDK-UHFFFAOYSA-N 290.366 3.672 30 20 CHED COc1ccc([C@@H]2CCN(Cc3cccc(C#N)c3)C2)cc1 195134504 HBHDSIMRLLQSOY-GOSISDBHSA-N 292.382 3.556 30 20 CHED Cc1c(Cl)cccc1C(=O)N(CCC#N)CC(C)C 219677867 YJKYWOOOUARHPS-UHFFFAOYSA-N 278.783 3.660 30 20 CHED C#CCOc1ccccc1CNc1cnc(Cl)c(C)c1 225947127 XYPHXUBZYWNROU-UHFFFAOYSA-N 286.762 3.668 30 20 CHED COc1cccc(Sc2nccc(C#N)c2Cl)c1 235011741 REIYNWHWQQCSCW-UHFFFAOYSA-N 276.748 3.766 30 20 CHED C[C@H](O)C[C@H]1CCCCCN1CCCCC(C)(C)C#N 235545875 JXMLYALMIIPCJG-JKSUJKDBSA-N 280.456 3.722 30 20 CHED N#Cc1ccc(N[C@@H]2CCOC3(CCC3)C2)c(Cl)c1 236031875 AETLOLATSPOFBA-GFCCVEGCSA-N 276.767 3.725 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H](C)CC2CCCC2)C1 247061918 PFAZCDYZMMMUSP-CKEIUWERSA-N 276.424 3.791 30 20 CHED C=C(C)CNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 250143203 ZIAZHOYAGOQIPX-LNLFQRSKSA-N 283.415 3.728 30 20 CHED O=C1/C(=C\c2cc3ccccc3o2)CCc2nc(O)ccc21 254975264 OYRPWLZPAMAEER-BENRWUELSA-N 291.306 3.746 30 20 CHED CCOc1ccc(/C=C\C(=O)c2occc2C)cc1 255226762 AABYDISTTMIBBG-TWGQIWQCSA-N 256.301 3.883 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)o1 255237286 ZCSLWHAXVPKCTE-OYVUYXNMSA-N 281.311 3.775 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1cccc(Cl)c1 255297557 MWQKDWFWYBUHMR-FPLPWBNLSA-N 282.730 3.884 30 20 CHED CC(=O)c1cccc(N=Cc2cc(Cl)ccc2O)c1 255314739 PCQKLHPDOMDVCP-UHFFFAOYSA-N 273.719 3.999 30 20 CHED O=C1/C(=C\c2cccnc2)CCOc2c(Cl)cccc21 255426667 HVCNYRODANYLKW-XFXZXTDPSA-N 285.730 3.784 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](C)c1ccccc1OC 263980175 BYRROGAQZCVZHG-CQSZACIVSA-N 275.392 3.613 30 20 CHED C[C@H](C(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 266119068 OEFJJJKVLZHCIA-LBPRGKRZSA-N 290.794 3.786 30 20 CHED CC(C)(C#N)CCSc1ncnc2sccc12 266248048 OTTDEWRYNHWIQX-UHFFFAOYSA-N 263.391 3.723 30 20 CHED CC[C@@H](C)CN(C)C(=O)Nc1ccc(C#N)cc1Cl 269166547 WEWIBDZKSVIADT-SNVBAGLBSA-N 279.771 3.721 30 20 CHED Cc1nnc(-c2cccc(NCCCC(C)(C)C#N)c2)n1C 269387061 BIECPKHMRUZQJF-UHFFFAOYSA-N 297.406 3.532 30 20 CHED CC[C@H](CNC(=O)c1ccc(CC#N)cc1)c1ccccc1 270197792 CUGZNLSVYJRNCU-MRXNPFEDSA-N 292.382 3.676 30 20 CHED CSc1ccc(C)c(NC(=O)NCCCCC#N)c1 271778969 BCIKKEQAEHBQKA-UHFFFAOYSA-N 277.393 3.532 30 20 CHED COCc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 271935337 MUFCLLQDDHHFEA-ZDUSSCGKSA-N 298.361 3.695 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C=C(C1CC1)C1CC1 272758605 YMXZZAYTJJGVEN-LBPRGKRZSA-N 296.370 3.662 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 273849599 JPTKYIRZEGNYRE-ONGXEEELSA-N 299.201 3.905 30 20 CHED C=C(C)CCN1CCC[C@@H]1C[C@@H](O)c1cccs1 274820626 YDCSMBQJNBUHFV-ZIAGYGMSSA-N 265.422 3.602 30 20 CHED C#CCC1(C(=O)N2Cc3ccccc3C2)CCCCC1 276266612 JJQVUWFZRQZHTI-UHFFFAOYSA-N 267.372 3.503 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 276902548 JEZLKYQDVOSJGX-RHSMWYFYSA-N 275.367 3.744 30 20 CHED N#CC1(c2nc(-c3ccc(Cl)o3)no2)CCCCC1 277996094 VWZLUCCEMRJSDA-UHFFFAOYSA-N 277.711 3.708 30 20 CHED COc1ccc(C(=O)Nc2sccc2C#N)cc1C1CC1 278381332 YZPQXBMBRGVRKB-UHFFFAOYSA-N 298.367 3.758 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)NCC1CCC(C#N)CC1 282322547 SMHVFACBPGCMLJ-QQFBHYJXSA-N 299.418 3.685 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)c(C)o1 282735367 MVKCDCSBVGQIHF-BJJXKVORSA-N 263.381 3.528 30 20 CHED C=CCCCc1nc(-c2ccnc(C(F)(F)F)c2)no1 289031918 HCSLNWMQBCDVTF-UHFFFAOYSA-N 283.253 3.659 30 20 CHED C=CCCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 294264479 SFRPKRXPYPPVKY-INIZCTEOSA-N 255.361 3.706 30 20 CHED C[C@H](CN(C)C(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 294744613 YJNSBTHIURZCIR-DNVCBOLYSA-N 296.414 3.723 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)c(C)n1 298172867 RGYLCFWVUBJJSK-UHFFFAOYSA-N 260.381 3.517 30 20 CHED C=CCNC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 299430648 UXUJOYAVXJXUQT-SECBINFHSA-N 287.190 3.882 30 20 CHED CN(Cc1cccc(C#N)c1)c1c(C#N)cnc2ccccc12 301139562 CMRYYUFPMXWXGJ-UHFFFAOYSA-N 298.349 3.615 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)[C@@H]1COc2ccccc21 301815544 DDYWKOCHZGNAHY-ABAIWWIYSA-N 282.318 3.674 30 20 CHED N#Cc1ccc(NCC2(c3cccs3)CCCCC2)nn1 301954823 DTEYFLVXJHUOBQ-UHFFFAOYSA-N 298.415 3.724 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(c2ccc(F)cc2C#N)C1 302160959 YINWCAWIZWLMHC-SJCJKPOMSA-N 281.334 3.680 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2c(C#N)cccc2C#N)C1 302880199 ICZOHRXWAPENFQ-ZIAGYGMSSA-N 271.389 3.516 30 20 CHED O/C(=N/C[C@@H]1CCCCS1)Nc1scnc1C1CC1 329579997 UMBCNXADXFSYEP-JTQLQIEISA-N 297.449 3.632 30 20 CHED CCC1CCC(N(C)C(O)=Nc2ncc(OC)s2)CC1 330486389 DUEJJSRCOPGGLM-UHFFFAOYSA-N 297.424 3.598 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1N[C@H](C(=N)O)c1ccc(C#N)cc1 331114863 KFRMPYJHRCSTDR-KNPMLCFXSA-N 285.391 3.549 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC3(CCC3)[C@H]2C(C)C)c1 333665833 MVQQCUPOXIQZAR-MRXNPFEDSA-N 297.402 3.909 30 20 CHED C[C@H](N[C@@H]1CCc2cccnc2CC1)c1ccc(C#N)cc1 335026910 AJFDYOJOPISXSG-KBXCAEBGSA-N 291.398 3.551 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2scnc2C(C)C)c1 335112936 SKDMTCBURKSSJO-UHFFFAOYSA-N 285.372 3.699 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC(C)(C)C1 335132984 XMCQIXAUQOZAAM-UHFFFAOYSA-N 284.403 3.748 30 20 CHED Cc1ccc(C(=O)N2CCC(CC#N)CC2)c(Cl)c1C 336534028 IOPZXVIHIBHZBO-UHFFFAOYSA-N 290.794 3.723 30 20 CHED C=C(CC)CSCCC(=O)Nc1ccccc1[N+](=O)[O-] 336964170 HLZKZYNHCREOKI-UHFFFAOYSA-N 294.376 3.623 30 20 CHED CC[C@H]1CCCN(CCCC2(C#N)CCOCC2)CC1 337194870 VOVSMJZVJVGIAN-INIZCTEOSA-N 278.440 3.599 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 338129861 JFKFPTHTQUZFNS-FZKQIMNGSA-N 290.366 3.700 30 20 CHED C[C@H](NCc1nc2ccc(F)cc2o1)c1ccc(C#N)cc1 338378790 UCYXCKFGYWQUEG-NSHDSACASA-N 295.317 3.689 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccc(CC#N)c1 340562421 YYXFAFHHCMTGBC-UHFFFAOYSA-N 296.395 3.643 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 341487416 PCJAUPFQCHSUHQ-RISCZKNCSA-N 262.740 3.586 30 20 CHED C=CCS[C@H](C)C(=O)Nc1ccccc1SC 341900190 KBKMGOKJZFIXDJ-SNVBAGLBSA-N 267.419 3.655 30 20 CHED CC(C)Cn1ncc(NCc2cccc(C#N)c2)c1C1CC1 342276776 BKZRCMXBHUTFNA-UHFFFAOYSA-N 294.402 3.900 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(CC#N)cc1 342482500 QCWGCFJXBZLOOV-UHFFFAOYSA-N 292.338 3.602 30 20 CHED Cc1cc(Cl)c(NC(=O)NCCCC#N)cc1Cl 345173835 WEKQVIHAIPSCBE-UHFFFAOYSA-N 286.162 3.727 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 352544599 BGWFZLSWLOHXPN-CVEARBPZSA-N 287.403 3.625 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(C#N)c(F)c1 353525017 VXNLLYNVJOQIOK-LBPRGKRZSA-N 297.333 3.922 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1Cc1nc(C#N)cs1 356300898 KGVZJGAUAHRUEI-DZGCQCFKSA-N 297.427 3.783 30 20 CHED N#Cc1ncccc1NCc1ccc2sccc2c1 357593674 KHMPETBYYUUYLX-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](CC)c1nc(C)cs1 358983520 CGSXDEZQBJFJJL-RYUDHWBXSA-N 281.425 3.557 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOC1CCCC1 360644531 BBEALNPRFWXUGF-IBGZPJMESA-N 298.430 3.875 30 20 CHED COc1cccc2c1OCC[C@@H]2Nc1ccc(F)cc1C#N 361359506 ZFUAYESTKAHWNV-HNNXBMFYSA-N 298.317 3.642 30 20 CHED C=CCCCCNC(=O)Nc1cnn([C@@H](C)CC)c1C 362319443 NAVWLAJYJPPXES-LBPRGKRZSA-N 278.400 3.640 30 20 CHED CCC(CC)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 363492838 IRDZFXLVSTXXBM-DLBZAZTESA-N 299.418 3.656 30 20 CHED N#Cc1cccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 365525307 HFSJNOUDMXYGSF-MRXNPFEDSA-N 296.757 3.799 30 20 CHED C=CCCC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 375095048 UQMJOQZUZOYYHB-UHFFFAOYSA-N 291.341 3.937 30 20 CHED CO[C@](C)(CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 384296856 GVSBZHRAQDYJAZ-HNAYVOBHSA-N 294.398 3.771 30 20 CHED CC(C)(NCc1ccc(CC#N)cc1)c1ccccc1 399078936 OYOGLMVCUWWIFR-UHFFFAOYSA-N 264.372 3.778 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)c(F)c2)c2ccccc21 404060781 IAQHIUPCIYFHDU-LBPRGKRZSA-N 266.319 3.821 30 20 CHED Cc1ccc2nc(C(=O)N[C@@](C)(C#N)C(C)(C)C)ccc2c1 410678790 XUNXNXQJAMEFGM-SFHVURJKSA-N 295.386 3.601 30 20 CHED CC[C@H](C)c1ccc(NC(=O)CSCCC#N)cc1 413013277 NXNOQBMGXCGBCC-LBPRGKRZSA-N 276.405 3.785 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CCC[C@@H]2C[C@@H]21 413444311 BJPYTBPXDXCXAW-DVVUODLYSA-N 281.281 3.573 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)[C@@H]1CCCOC1 414310849 XFDOVKVWJIRLQT-KBAYOESNSA-N 273.420 3.579 30 20 CHED C[C@@H]1CC(C(=O)N2CCc3cc(C#N)ccc32)C[C@@H](C)C1 416014443 OWAUPPCGIVSQAS-STQMWFEESA-N 282.387 3.520 30 20 CHED CSc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 430752193 FLSMVRVSVSCESW-GFCCVEGCSA-N 260.406 3.753 30 20 CHED Cc1c(C#N)cccc1NCC(=O)Nc1ccc(Cl)cc1 431352704 QBHONWSVFYBVJS-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1c2cc(F)ccc2C[C@@H]1C 436302499 AQYUVSHYKBYAKS-YENGBRFLSA-N 289.394 3.630 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(SC)cc1OC 439402788 IGPNPNUKSDYBGF-LLVKDONJSA-N 294.420 3.893 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC=CCC1 442904591 REOGWGUDDZTMDT-HUUCEWRRSA-N 254.377 3.907 30 20 CHED CCn1c(-c2ccc(C#N)c(OC)c2)nc2ccccc21 443037441 NVESBNGGADHOJB-UHFFFAOYSA-N 277.327 3.603 30 20 CHED C=CC(C)(C)C(=O)NCC(C)(C)c1cccc(C)c1 448819615 WORWCHATZLKYMO-UHFFFAOYSA-N 259.393 3.601 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 449151245 WUCUAHGPKLJWNF-CTMQZQKCSA-N 292.467 3.890 30 20 CHED N#CCc1cccc(NC2CCN(C3CCCCC3)CC2)c1 449696424 JXHASGWVNZKGJJ-UHFFFAOYSA-N 297.446 3.962 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)c(C)c2)CCCC1 450176881 KFHXEEXXGMJBPM-UHFFFAOYSA-N 259.349 3.776 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)cc2F)CCCCC1 450513568 WWJWPVJFSBAWPD-UHFFFAOYSA-N 277.339 3.996 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1 451601852 BUQOLTMOMKPZJB-FZQKWOKYSA-N 286.202 3.988 30 20 CHED C[C@H]1CC(NC(=O)Nc2cccc(CC#N)c2)C[C@H](C)C1 455911105 DMYXOYRWJXFDBI-CHWSQXEVSA-N 285.391 3.699 30 20 CHED C=C[C@@](C)(CC)C(=O)NC1CCc2ccccc2CC1 456449588 DRROJBLNZPUUDS-SFHVURJKSA-N 271.404 3.653 30 20 CHED CC1CCC(CC(=O)NCc2ccc(C#N)c(F)c2)CC1 456835298 KMFMEPBLGZHWTJ-UHFFFAOYSA-N 288.366 3.530 30 20 CHED CC(C)CC(CC(C)C)C(=O)NCC(C)(C)CC#N 458048125 YLUBUIBAEBJDRA-UHFFFAOYSA-N 266.429 3.751 30 20 CHED C=CC(C)(C)CNC(=O)N1CCCC12CCCCC2 458985164 HTFOULBTEMBJCH-UHFFFAOYSA-N 264.413 3.707 30 20 CHED N#Cc1ccc(CN2CCc3cccc(Cl)c3C2)s1 459693361 FNLJOIPQPFVWHR-UHFFFAOYSA-N 288.803 3.831 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)C1 462140176 PGOQIQKWAXROMT-CPUCHLNUSA-N 284.403 3.747 30 20 CHED COc1ccc(CN(C)c2ccc(F)cc2C#N)cc1C 462824346 DOUODLYZSSPSLO-UHFFFAOYSA-N 284.334 3.651 30 20 CHED CS[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)C(C)(C)C 463492576 ILOZUDKXDIROBP-ZDUSSCGKSA-N 293.392 3.656 30 20 CHED C=CCOc1cccc(CN[C@@H](C)CC(F)(F)F)c1 463714446 BJWBSDXJTINVBO-NSHDSACASA-N 273.298 3.682 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)Oc1cccc(Cl)c1 466526407 JROMBUTZVNJSTE-ZDUSSCGKSA-N 295.810 3.968 30 20 CHED C=C(C)CN(CC)C(=O)NCCCCC1CCCC1 466597198 GFFZWIWKDJSMQO-UHFFFAOYSA-N 266.429 3.955 30 20 CHED C=CCC[C@@H](CC)N[C@@H](CO)c1cccc(Cl)c1F 467406510 PXUBQDAEMCGDPZ-RISCZKNCSA-N 285.790 3.847 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCCc1cccc(C#N)c1 467432135 ISQSCNCMBMUCJU-HALDLXJZSA-N 256.393 3.515 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H]1CCc2ccccc2C1 467535576 AFKFHASKXURNHJ-GOSISDBHSA-N 283.415 3.771 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccccc1-c1ccccc1 468901602 JTXJZBTVKDNHAU-GOSISDBHSA-N 281.355 3.619 30 20 CHED C=CCC[C@H](O)CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 472588112 CMVALAIESZONAN-RRQGHBQHSA-N 277.383 3.536 30 20 CHED C=CCCCC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 479598392 DWHRSSVQYHZFQO-UHFFFAOYSA-N 284.403 3.899 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]1C 483674631 YBJWMUAJZDCODO-ZBFHGGJFSA-N 278.440 3.953 30 20 CHED C=CC[C@H](C)NC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 484025737 DPLHZKYDAOLYRL-SRVKXCTJSA-N 292.345 3.619 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N[C@]2(C#N)CC2(C)C)CC(C)(C)C1 484911573 QNDSVODTMQZABI-IGCXYCKISA-N 276.424 3.647 30 20 CHED N#Cc1ccc(OCC#Cc2ccc(Cl)cc2)cc1 485271668 HQRNGXONTXFFQF-UHFFFAOYSA-N 267.715 3.642 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(SC)c1 486776244 PKJOBMGTYLBLMW-CYBMUJFWSA-N 276.405 3.981 30 20 CHED N#Cc1ccc(=N[C@@H]2CCC[C@H](c3ccccc3)C2)[nH]c1 487143949 XTECZTXKKHRUMD-DLBZAZTESA-N 277.371 3.513 30 20 CHED N#CCN(Cc1cc2ccc(F)cc2[nH]1)C1CCCC1 488341467 BVEKUSAUGHOQQI-UHFFFAOYSA-N 271.339 3.575 30 20 CHED CC#CCNC(=O)Nc1ccc(N2CCCCCC2)cc1C 489461015 WULLWHIGRPNIGM-UHFFFAOYSA-N 299.418 3.520 30 20 CHED C#C[C@@H](NCc1cccc(OCCCC#N)c1)C(C)(C)C 491692670 JBMBTKBKFZOHMA-QGZVFWFLSA-N 284.403 3.507 30 20 CHED N#Cc1ccc(NC(=O)CCc2cccs2)c(Cl)c1 494614514 UBEACMJFJGVEOE-UHFFFAOYSA-N 290.775 3.844 30 20 CHED Cc1cccc(C2(C(=O)N(C)CC(C)(C)C#N)CCCC2)c1 497376358 JGMATODNLPVUMN-UHFFFAOYSA-N 298.430 3.815 30 20 CHED CC1CCC(CN(CCC#N)Cc2ccco2)CC1 505749146 BMSXPUHSTZIRNB-UHFFFAOYSA-N 260.381 3.822 30 20 CHED C=CCN(Cc1ccccc1)Cc1c(CC)nn(C)c1CC 508558935 CUYWZBBOMHLFLH-UHFFFAOYSA-N 297.446 3.733 30 20 CHED C=CCSCCNC(=O)C1(CC(C)C)CCCC1 508901243 BGJOMGARVINISP-UHFFFAOYSA-N 269.454 3.628 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC1CCC(F)(F)CC1 508972768 ZWTYZCDWMHQFLT-CYBMUJFWSA-N 286.366 3.562 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(OC)c(O)c1 512038169 JFMQELJDBHSLCZ-UHFFFAOYSA-N 297.398 3.632 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)NCC#Cc2cccc(F)c2)C1 513213402 FDQXMLRNRDOSIU-GDBMZVCRSA-N 287.378 3.510 30 20 CHED C=CCN(CCOc1ccc(OC)cc1)Cc1ccccc1 515549237 BWNGDHYVJTYEAJ-UHFFFAOYSA-N 297.398 3.762 30 20 CHED Cc1ncc(C)c(Nc2ccc(C(C)(C)C#N)cc2)n1 516491013 SERGZWAMOQIEKR-UHFFFAOYSA-N 266.348 3.638 30 20 CHED N#CCCCOc1cccc(/C=C\c2ccncc2C#N)c1 519838993 OGVMVDPNOIDPPF-SREVYHEPSA-N 289.338 3.806 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(OC3CCCC3)nc2)C1 520494296 XTGNMASVLHAWHN-QWHCGFSZSA-N 271.364 3.507 30 20 CHED C=CC[C@H](C)NC(=O)NC[C@@H](c1ccccc1)C(C)C 522594178 FAOOYOLZOQLCHD-GOEBONIOSA-N 274.408 3.690 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 536128662 WQROKDADKMUQED-UHFFFAOYSA-N 294.354 3.792 30 20 CHED C=C(CC)CS[C@H]1CCN(c2c(F)cccc2F)C1=O 537993302 RMUZTCPYEVRFOB-ZDUSSCGKSA-N 297.370 3.770 30 20 CHED C=CCN1CC[C@@H](Sc2ccc3ccccc3c2)C1=O 539512926 ZYRLNGLADFSMPP-MRXNPFEDSA-N 283.396 3.719 30 20 CHED CC[C@](C)(NCc1cccc(C#N)c1F)C(F)(F)F 540295738 RTYQBLANERWQKX-LBPRGKRZSA-N 274.261 3.518 30 20 CHED CCN(C[C@H](C)C#N)[C@@H]1CCc2ccc(Cl)cc21 541271164 JZVHAMPQJPXXSP-IAQYHMDHSA-N 262.784 3.809 30 20 CHED C=CCCCc1nc(Cc2c[nH]c3c(C)cccc23)no1 545715302 IXHZAPHUSOIGGC-UHFFFAOYSA-N 281.359 3.959 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](CC)C1 549265891 MKOMZVCCKOLNDJ-CQSZACIVSA-N 276.428 3.604 30 20 CHED C=C(C)CCSc1nnc(-c2ccc(F)cc2)o1 552009126 FUNYUBCADSMSRM-UHFFFAOYSA-N 264.325 3.934 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2ccccc2CC#N)[C@@H]1c1ccccc1 558190940 SYYSOUHCQRXSCL-KKXDTOCCSA-N 290.366 3.741 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 563934353 BJSVDGKREDUHBP-CHWSQXEVSA-N 276.355 3.755 30 20 CHED C=CCOc1ccccc1-c1nc([C@@H](C)C2CC2)no1 567427636 XIMMIYQZYKESSN-NSHDSACASA-N 270.332 3.815 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(OCCC)cc1 569308564 SVPQLRGUOASWRJ-AEFFLSMTSA-N 289.419 3.546 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N1CCC(CCC#N)CC1 575318507 USWLZAGBLUTZAL-HZPDHXFCSA-N 276.424 3.745 30 20 CHED C=CCn1c(N(C)c2ccccc2)nnc1C(C)(C)C 576315528 GISCGTKWMHPLHT-UHFFFAOYSA-N 270.380 3.530 30 20 CHED C[C@H](NCC1(C#N)CC1)[C@H](C)c1ccc(Cl)cc1 577458180 WBSQJELFTFVCSI-RYUDHWBXSA-N 262.784 3.725 30 20 CHED N#Cc1cc(N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ncn1 578604615 WYOOSMGSGVXUNO-OCCSQVGLSA-N 298.777 3.750 30 20 CHED COc1ccccc1/C=C/CN1CCCC(C)(C)[C@H]1C#N 579795459 JMBMSCNKUHXGTJ-RCMYXZNBSA-N 284.403 3.723 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2ccsc2C)cc1 580841433 HEKXIOCWNDCKMG-INIZCTEOSA-N 298.411 3.956 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(NC(C)C)nc2)n1 583579208 BZETZXZVDGVVCB-UHFFFAOYSA-N 286.379 3.806 30 20 CHED N#Cc1ccc(N2CCC[C@@H]3C[C@@H]32)c(C(F)(F)F)c1 588066476 QFPCQJQANJDQRO-MFKMUULPSA-N 266.266 3.566 30 20 CHED C[C@@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 588146976 VXZQSJTUVFMUHZ-GFCCVEGCSA-N 278.783 3.991 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CCCCCC#N 588158400 WGQNTTMIMNEDOT-WBVHZDCISA-N 284.403 3.865 30 20 CHED CC(C)(C)C1=CCN(C(=O)CCCCCC#N)CC1 588658915 RVAWMEUPAUMLCJ-UHFFFAOYSA-N 262.397 3.665 30 20 CHED N#C[C@@H]1CC[C@@H](NC[C@@H](Cc2ccccc2)C(F)(F)F)C1 589344288 GGQGABJKHROOCM-RBSFLKMASA-N 296.336 3.689 30 20 CHED CCCCN(CCOCCC#N)[C@@H](C)c1ccc(C)o1 590156448 NYLHSASAMXTAEP-HNNXBMFYSA-N 278.396 3.681 30 20 CHED Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)nc1C 591242782 HWQSRVPCWYCFRL-IBGZPJMESA-N 291.398 3.737 30 20 CHED CC[C@@H](C#N)C(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 593414106 GRVGWTUSOQKDAX-RYUDHWBXSA-N 290.794 3.942 30 20 CHED CC(C)(NCCc1ccc(C#N)cc1)c1cccs1 595429474 OOKYJXBHUPUHFE-UHFFFAOYSA-N 270.401 3.687 30 20 CHED N#CC[C@@H]1CCCN([C@@H]2CCCc3ccc(F)cc32)C1 595619493 BZGCITHTBIXESM-SUMWQHHRSA-N 272.367 3.829 30 20 CHED CSCC1(CCNc2nc(C)c(C#N)cc2Cl)CC1 596420337 VESJRDNAONSHSV-UHFFFAOYSA-N 295.839 3.860 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCc2ccccc21 596704402 ANXIUFMPRXJZPX-QGZVFWFLSA-N 296.414 3.996 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 597077133 ZEKLNGOWUCVRGG-RCCFBDPRSA-N 298.430 3.700 30 20 CHED CC(C)(CCC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597906339 LTNPYFSPNSOYSE-INIZCTEOSA-N 298.430 3.897 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1nc(C)cc(C)c1C#N 598856927 JRISMZNJVDXKDU-CQSZACIVSA-N 287.407 3.971 30 20 CHED Cc1cc(SCCCc2cnoc2)ccc1C#N 600561399 GHQPIILWVMKHJK-UHFFFAOYSA-N 258.346 3.580 30 20 CHED CC1=NN(c2ccc(C(C)(C)C)cc2)C(=O)[C@H]1CCC#N 601934046 IZEJMVIVEMHGLY-HNNXBMFYSA-N 283.375 3.627 30 20 CHED CCN(CCCNC[C@H](C)CCC#N)C1CCCCC1 602699236 OCCDHZNUTUPOIX-MRXNPFEDSA-N 279.472 3.561 30 20 CHED CCN(CC1(CC#N)CC1)[C@@H](C)Cc1ccc(OC)cc1 602774798 BJVQFONFXJKJBW-HNNXBMFYSA-N 286.419 3.642 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)cc1 607554689 OZAXDIIANGEHRW-LSDHHAIUSA-N 287.403 3.902 30 20 CHED CCN(CC#N)C(=O)c1sc2cc(C)ccc2c1Cl 609149703 BSKAMNOXVOFLEM-UHFFFAOYSA-N 292.791 3.849 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 609188363 OKZPKCUNRYZZMX-HRCADAONSA-N 276.424 3.601 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(C#N)cc1 610023542 JZBFRNHUOGZXFK-PBHICJAKSA-N 299.418 3.668 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1 610220211 JDOWEUVTPRFEDK-JTQLQIEISA-N 286.281 3.579 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 610280476 RADOQYBFHPHUMM-SJORKVTESA-N 293.326 3.609 30 20 CHED C[C@H](NC(=O)C[C@@H](C)c1ccccc1)c1cccc(C#N)c1 610361331 ZTEKMZACWZNZMH-CABCVRRESA-N 292.382 3.929 30 20 CHED CCCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H](C)c1ccc(C)o1 610490065 YTWMCBVOOZEVQU-ZDUSSCGKSA-N 299.374 3.791 30 20 CHED COCCC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCC1 611393596 IMFWIBKNGPNLBG-GOSISDBHSA-N 298.430 3.732 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cnn(CC2CC2)c1 611476754 PAXZQLRCPOHNQI-SFHVURJKSA-N 292.386 3.654 30 20 CHED CCc1ccc([C@H](C)C(=O)N2CCC(CC#N)CC2)cc1 611675396 ZYHQNTVYDUWZIQ-AWEZNQCLSA-N 284.403 3.505 30 20 CHED C[C@@H]1c2ccccc2OCCN1Cc1ccc(C#N)c(F)c1 616764587 WYVHFTMFHMOKNB-CYBMUJFWSA-N 296.345 3.653 30 20 CHED Cc1ccsc1CN[C@H]1CCc2cc(C#N)ccc21 618741682 KMNGWKMNDRKQJP-HNNXBMFYSA-N 268.385 3.705 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cc(C2CC2)no1 659848839 IQPICTUZPGTIKX-UHFFFAOYSA-N 298.386 3.749 30 20 CHED C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C)C1 661379359 XHBCPIQZVRISOZ-CVEARBPZSA-N 286.419 3.610 30 20 CHED C=CCCCCNC(=O)N1CCCc2sccc2C1 681162418 CQCDYWPJGVMEDH-UHFFFAOYSA-N 278.421 3.562 30 20 CHED C=C(C)CS(=O)(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 684760920 CWPVQOQMBUYWGZ-AWEZNQCLSA-N 299.436 3.657 30 20 CHED CCC1(CC)CCCN(Cc2cccc(C#N)c2)C1 690547355 HMDWZWCTBVAAAP-UHFFFAOYSA-N 256.393 3.960 30 20 CHED Cc1ccc(C)c(N=C2NN=C(C(C)C)CS2)c1 730816037 NXIZTRAJTYURBM-UHFFFAOYSA-N 261.394 3.639 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCc1ccc(F)cc1F 732623143 ZWBFPNNVTUOYEA-DJKKODMXSA-N 295.716 3.985 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)Cc2ccccc2)c1 732731205 SMYFQPGWUUOOFJ-QGZVFWFLSA-N 277.367 3.875 30 20 CHED C=CCCCOC(=O)c1sc(CC(C)C)nc1C 735533945 NZXGKUWEWCLGGO-UHFFFAOYSA-N 267.394 3.773 30 20 CHED C=C(C)CNC(=S)N1C[C@H](c2ccccc2C)C[C@@H]1C 737447833 GTERGDFHFZBMDE-LSDHHAIUSA-N 288.460 3.623 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)c1ccsc1 739141809 CYTXRAYQUSRSRD-JQWIXIFHSA-N 295.367 3.604 30 20 CHED CCCCCCCN1CCN([C@@H](C)c2cccnc2)CC1 741789335 ZCXBSQFRJJIXAI-KRWDZBQOSA-N 289.467 3.731 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1 742434477 IAPUOCOPCIFXFM-RMKNXTFCSA-N 294.350 3.759 30 20 CHED C=CCN(C(=O)c1ccc(OC2CCC2)cc1)C(C)C 742639410 ZFGUWSPUPCHKFY-UHFFFAOYSA-N 273.376 3.655 30 20 CHED COCc1cccc(C=NNc2cc(C)cc(C)c2)c1 743431660 ZFNLESDYPDMISH-UHFFFAOYSA-N 268.360 3.896 30 20 CHED CC1(C)C(=NNc2cccc3cnccc23)[C@@H]2CCCO[C@@H]21 743438774 QMEUJLZRXWFPTO-YOEHRIQHSA-N 295.386 3.838 30 20 CHED C=CCCCOC(=O)c1cc(OCc2ccccc2)ccn1 745645643 DBHZVGDHXBXIKP-UHFFFAOYSA-N 297.354 3.784 30 20 CHED C#CCN(Cc1ccc2cc(OC)ccc2c1)C(C)C 746147730 PWUOUYPSUVVTTE-UHFFFAOYSA-N 267.372 3.692 30 20 CHED Clc1ccc(NN=Cc2coc3ccccc23)cn1 746577617 VRQDSBSCEVEQLW-UHFFFAOYSA-N 271.707 3.927 30 20 CHED Oc1ccc2ccccc2c1/C=N\[C@@H]1CCCSC1 749008039 RSPYJXPTCZXKTQ-OMJMQIJPSA-N 271.385 3.860 30 20 CHED CCCCCCCCC(=O)N(C)Cc1ccc(OC)nc1 749033469 OKPHZGYJWIXJJU-UHFFFAOYSA-N 292.423 3.799 30 20 CHED CCCCCCCCCC(=O)NCc1cccc(F)n1 749127839 QXKKWZBLYSZINN-UHFFFAOYSA-N 280.387 3.978 30 20 CHED C[C@H]1CC(=NNc2ncccn2)C[C@@H](c2ccccc2)C1 749859115 QEUYGNRUPYFPOD-HIFRSBDPSA-N 280.375 3.848 30 20 CHED CCCCCCCC(=O)N1CCC(CCC(=O)OC)CC1 753326766 XZNWTSHFKCWXAV-UHFFFAOYSA-N 297.439 3.539 30 20 CHED C#CC[C@@H](NC(=O)/C=C\c1cccc(F)c1)c1ccccc1 757577236 GPLDNWHUULNUCZ-MENFKHAKSA-N 293.341 3.720 30 20 CHED C#CCCCCNC(=O)N[C@@H](c1ccccc1C)C1CC1 758769216 VLMGELNVODDWPZ-QGZVFWFLSA-N 284.403 3.549 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)c1ccc[nH]1 760742546 ZVHFBYBDBCZOOS-ZDUSSCGKSA-N 250.386 3.943 30 20 CHED C#CCOc1ccccc1-c1noc([C@H]2CC23CCCC3)n1 761992442 FYGSMFWNZDJKQJ-CQSZACIVSA-N 294.354 3.796 30 20 CHED C#CCCc1noc(Cc2ccc(Cl)c(Cl)c2)n1 761999549 PLZXGGRURZROAJ-UHFFFAOYSA-N 281.142 3.533 30 20 CHED CON=Cc1ccc(-c2nc([C@H](C)C(C)(C)C)no2)cc1 762153423 YSNPQZZWQPBBBT-NSHDSACASA-N 287.363 3.867 30 20 CHED CCCCCCCCn1cc([N+](=O)[O-])cc(Cl)c1=O 763263239 UAHGKOYGBSDBLI-UHFFFAOYSA-N 286.759 3.770 30 20 CHED CCCCCCCCOCC(=O)N1CC[C@H](C2CC2)C1 764068378 HJXFMOOYRQZNGS-INIZCTEOSA-N 281.440 3.622 30 20 CHED C#CCOc1ccc(COC(=O)[C@H](C)c2ccccc2)cc1 765138340 JJVFLQSVXQOQMD-OAHLLOKOSA-N 294.350 3.546 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1C#N 766483218 DXFQPRFHRJXJQK-SOFGYWHQSA-N 292.294 3.671 30 20 CHED Cc1cc(/C=C2\CCc3c(O)cccc3C2=O)ccc1C#N 766492407 XMIWPJMAAOFZOG-GXDHUFHOSA-N 289.334 3.785 30 20 CHED CC1(c2ccccc2)CCC(=NNC2CCOCC2)CC1 766714894 ZEBXGOZLGORUQH-UHFFFAOYSA-N 286.419 3.643 30 20 CHED CCCCCON=Cc1c(Cl)nc2ccccn12 766750818 NSTYHZRCZRYVAJ-UHFFFAOYSA-N 265.744 3.528 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccccc1OC 766772373 QVWKJQWZNANSMH-HJWRWDBZSA-N 267.328 3.549 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCCC(C)(C)C1 767152296 MGYFBCQOOPJVRX-LBPRGKRZSA-N 289.341 3.617 30 20 CHED CCC(=CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)CC 767973565 OTOOWXBNEJYECW-UHFFFAOYSA-N 294.398 3.920 30 20 CHED C=CCN(Cc1c(C)nn(Cc2ccccc2)c1C)C(C)C 768547471 OAYDULSEVUJEQG-UHFFFAOYSA-N 297.446 3.945 30 20 CHED Cc1ccc(F)c(N)c1C(=O)OCCCCC(C)(C)C#N 768636696 HVPWISYLPCBDFE-UHFFFAOYSA-N 292.354 3.593 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1cc2ccccc2nc1O 773872598 SBCLCRWPHBEZHS-GFCCVEGCSA-N 285.343 3.842 30 20 CHED CC(=NNc1ncc(F)cn1)C1(c2ccccc2)CCCC1 774396962 TVXWFQXXAUGFIX-UHFFFAOYSA-N 298.365 3.916 30 20 CHED C#CCOc1ccccc1NC(=O)/C=C(/C)C(C)(C)C 775950150 GNHRAVSPXWXDKC-SEYXRHQNSA-N 271.360 3.630 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc(C#N)c(F)c1 776725754 FABTVKCYKHQXHO-SREVYHEPSA-N 295.313 3.911 30 20 CHED CCCCCCCN[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1 776823332 NXAKNEQVVNJYKI-HZPDHXFCSA-N 298.471 3.803 30 20 CHED C=CCN(C)C(=O)N[C@@H](CCCCC)C(C)(C)C 777530284 GPMWMXMVXYDJTD-ZDUSSCGKSA-N 254.418 3.809 30 20 CHED CCCCCCCN1CCC[C@H]1C1CCOCC1 777739621 MKRQDUODDORYAI-INIZCTEOSA-N 253.430 3.848 30 20 CHED Cc1cc(C=NNCc2ccccc2)ccc1Cl 779762588 JWMMCTYWRWYADT-UHFFFAOYSA-N 258.752 3.772 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 779948495 BCHDKYJPBMMKHE-DLBZAZTESA-N 293.451 3.670 30 20 CHED CC1(C)C[C@@H](NN=C2CC(c3cccc(F)c3)C2)CCO1 780240547 DMXDLCNGQMIVFR-WUJWULDRSA-N 290.382 3.606 30 20 CHED C[C@@H]1CC(=NN[C@@H]2CCCOC2)C[C@H](c2ccccc2)C1 780260213 JHLYJRYTUHZMGF-USXIJHARSA-N 286.419 3.715 30 20 CHED O=C1c2ccccc2CN1N=CC1CCCCCC1 781596951 KWRMYZNKKISEKF-UHFFFAOYSA-N 256.349 3.599 30 20 CHED C=CCCCCCNc1ccc2c(c1)C[C@H](OC)C2 783214917 GUIGWGNAPZHFHV-QGZVFWFLSA-N 259.393 3.959 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1ccoc1C 783874906 VWPXUYQXPNYVNV-UHFFFAOYSA-N 285.343 3.738 30 20 CHED C=C(Cl)CN1C[C@@H](C)C[C@H]1c1cccc(OC)c1 784351489 GWYDKCOMXNWCBU-NHYWBVRUSA-N 265.784 3.831 30 20 CHED CCCCS[C@H](C)C(=O)OCc1ccc(C#N)c(C)c1 785732984 DLNJWZQCBOATDL-CYBMUJFWSA-N 291.416 3.832 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)cc1OC 786645058 XMQYUVJAUGAOLY-AWEZNQCLSA-N 267.756 3.889 30 20 CHED C=CC[C@H](C)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 788735428 AGSSMQIATLLFSI-YOEHRIQHSA-N 296.455 3.578 30 20 CHED Cc1cccnc1NN=C1CC[C@H]1c1ccccc1 790188282 WVZWUOKNQVVGOW-AWEZNQCLSA-N 251.333 3.736 30 20 CHED Clc1cc(Cl)cc(NN=Cc2cc[nH]c2)c1 790201775 KYZCACWKBPUFPH-UHFFFAOYSA-N 254.120 3.768 30 20 CHED c1ccc2[nH]c(NN=C3CCC4(CC3)CC4)nc2c1 792632065 RIESMJXJCRFJEO-UHFFFAOYSA-N 254.337 3.685 30 20 CHED CC(=NNCC(F)F)[C@@H](C)c1ccc(Cl)cc1 794515315 QWERNTXJQMUEPF-MRVPVSSYSA-N 260.715 3.674 30 20 CHED CC(=NNCCC(F)(F)F)c1csc(Cl)c1 794545302 KIPQWVVDPPAKNF-UHFFFAOYSA-N 270.707 3.668 30 20 CHED CCC(Cc1ccccc1)=NNCCC(F)(F)F 794552101 KWKSZTRWQKGSDD-UHFFFAOYSA-N 258.287 3.537 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNCc2ccccc2N(C)C)o1 794956322 HCUNFNQPWOLATI-CZUORRHYSA-N 297.402 3.593 30 20 CHED CCc1occc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 797461639 AVNKNXXSQMFJTL-NSHDSACASA-N 269.300 3.632 30 20 CHED CCC(CC)N(C(=O)c1ccc(C)c(C#N)c1)C1CC1 799308498 LLAHBTLTHZBNFE-UHFFFAOYSA-N 270.376 3.660 30 20 CHED COc1cccc2c1CC/C(=C/c1ccnn1C(C)C)C2=O 799502840 RHRRHSZJTZZWQW-QBFSEMIESA-N 296.370 3.685 30 20 CHED COc1cccc(O)c1/C=N\C[C@H]1CCCC(F)(F)C1 800721460 NPSPDPFQAJSTMF-TZQXVGBESA-N 283.318 3.645 30 20 CHED C#C[C@H](NC(=O)C(C)(C)C(C)C)c1ccc(Cl)cc1F 804422893 AELIEQCJGIWGLW-AWEZNQCLSA-N 295.785 3.952 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1nc(Cl)c(C#N)s1 804505503 YUQQTJKSHACGTF-FZMZJTMJSA-N 289.791 3.810 30 20 CHED C=CCCCCCCNC(=O)c1ccc(F)c(C#N)c1 805221096 KHVRUUXMPLQWTD-UHFFFAOYSA-N 274.339 3.564 30 20 CHED C=CCCCCCCNC(=O)NC[C@@H]1CCC(F)(F)C1 805423373 CSICZLLVHYTYKX-CYBMUJFWSA-N 288.382 3.858 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@H]1CC=CCC1 807989938 QMXWPZXSQACZGN-LBPRGKRZSA-N 259.309 3.657 30 20 CHED C(=NNc1nc[nH]n1)c1c2ccccc2cc2ccccc12 807998630 NGNCWEGDTOYYKH-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C(=NN[C@H]1CCSC1)c1ccc(-c2ccccc2)cc1 808003858 XGOBLTDLDFQUNY-KRWDZBQOSA-N 282.412 3.783 30 20 CHED CCCc1nnc(S)n1N=C[C@@H]1CCC[C@@H](CC)C1 808009387 DIHGXPQFHHRIKU-VXGBXAGGSA-N 280.441 3.570 30 20 CHED C#CCCCCN[C@@H](C)c1cc(Cl)cc(C)c1O 808706363 IDXTVOIYVKEKAS-LBPRGKRZSA-N 265.784 3.808 30 20 CHED O=C1/C(=C\c2cnccn2)CSc2c(Cl)cccc21 809154311 RHXHMNRTKANXHP-TWGQIWQCSA-N 288.759 3.502 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H](F)c2ccccc2)cc1 809258753 GOBPFONLWOJXAQ-DLBZAZTESA-N 296.345 3.641 30 20 CHED C#CCOc1cccc(-c2noc(-c3c(C)coc3C)n2)c1 809342531 IDJBOTMZVHRCNX-UHFFFAOYSA-N 294.310 3.625 30 20 CHED C#Cc1ccc(CN[C@@H](CCC)[C@H](O)c2ccccc2)cc1 809657266 ZGHGSHZOYCDWOY-VQTJNVASSA-N 293.410 3.660 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(SC)cc1 809992746 AKSHKUMPDJGDEC-UHFFFAOYSA-N 281.380 3.571 30 20 CHED FC(F)(F)C1CCC(=NOC/C=C/Cl)CC1 811671122 AELXIRZEGRHDAU-BBOXIUEISA-N 255.667 3.864 30 20 CHED Cl/C=C\CON=Cc1cccc(-c2cccnc2)c1 811672025 OGXPEENUZJNQKZ-SQELGJJDSA-N 272.735 3.852 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)C1(F)CCCCC1 812926180 LXBOPMQWYJWTHO-UHFFFAOYSA-N 291.370 3.726 30 20 CHED N#CC1(C(=O)Nc2cnc(Cl)cc2Cl)CCCCC1 813381628 AXIKRIZPXFXQAL-UHFFFAOYSA-N 298.173 3.801 30 20 CHED CC(=NOCC1CC1)c1ccc(F)c(Br)c1 814244628 CXQLHFRBWDLAJZ-UHFFFAOYSA-N 286.144 3.739 30 20 CHED CCCCC/C(C=NNc1cnnn1C)=C/c1ccccc1 814983155 AWZIEJNEISAJHL-SOYATDBDSA-N 297.406 3.877 30 20 CHED C#CCCCCCC(=O)O[C@@H](C(=O)C1CC1)c1ccccc1 820504787 FWYKNYCJMGFSQC-LJQANCHMSA-N 298.382 3.834 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(C#N)n1C 822697798 TWFJABNGHXKMAJ-UHFFFAOYSA-N 289.423 3.719 30 20 CHED C[C@@H](COc1ccccc1)NC1CCC(C)(C#N)CC1 823716797 QWMYSBXSJIIKEH-UQPPLGOBSA-N 272.392 3.516 30 20 CHED CC(C)C#CC(=O)N(Cc1cccc(F)c1)C1CCCC1 827018153 TXQYSVLJOQSVKR-UHFFFAOYSA-N 287.378 3.756 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@]1(C)CC1(Cl)Cl 827322894 BKNHHBQKTGIGNB-ZDUSSCGKSA-N 283.202 3.574 30 20 CHED C=CCC[C@@H](OC(=O)c1ccc(NC(=O)O)cc1)C1CC1 833373729 ZMRIUERLLXSRQF-CQSZACIVSA-N 289.331 3.678 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1ncc(Cl)n1C)C2=O 834434988 ZBAHYIAMDQWTIJ-CEXMDJMXSA-N 286.762 3.765 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1ncc(Cl)n1C)C2=O 834434989 ZBAHYIAMDQWTIJ-QVIVLVACSA-N 286.762 3.765 30 20 CHED CCC(C=NOC1CCC1)(CC)CNC(=O)OC(C)(C)C 834978968 KGJVNWVARTUSMN-UHFFFAOYSA-N 298.427 3.872 30 20 CHED C[C@@H](NN=C1CCC(C(F)(F)F)CC1)C(F)(F)F 834997766 JEROYFDLWGSPDT-ULUSZKPHSA-N 276.224 3.635 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CC[C@H](Cc2ccccc2)C1 835022267 YLKGBDNVLRHHME-WBVHZDCISA-N 286.419 3.542 30 20 CHED C=CCONC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 837043982 UHWBGNDWFBMCFK-AWEZNQCLSA-N 298.386 3.562 30 20 CHED Cc1cccc(CCC(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 839043922 LIIAYGVWLQFFGZ-JKSUJKDBSA-N 271.360 3.553 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 839273248 USCJRELAPJDDJW-UHFFFAOYSA-N 282.727 3.789 30 20 CHED C=CC(C)(C)C(=O)Oc1cc(Br)ccc1F 839315923 CTESHZFEPMRDOH-UHFFFAOYSA-N 287.128 3.706 30 20 CHED CCCCCCCCN1CCC([C@@H](O)c2ncc[nH]2)CC1 839579208 UPHHDZLORQPXEO-MRXNPFEDSA-N 293.455 3.516 30 20 CHED N#Cc1c(Cl)nsc1N[C@H](C1CCC1)C1CC1 840317962 BZVWVHPDUSONSC-SNVBAGLBSA-N 267.785 3.659 30 20 CHED CC[C@H](C)c1ccc(C(=O)NCC2(C#N)CCC2)cc1 841467722 VVGPAAIQSMJXME-ZDUSSCGKSA-N 270.376 3.624 30 20 CHED C#C[C@@H](OC(=O)C1CC=CC1)c1cccc(C(F)(F)F)c1 842408124 FYZQFJOMTRMKHW-CQSZACIVSA-N 294.272 3.889 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@@H]1CCC(C)=C(C)C1 842770841 CFMQTRGWHDNROZ-NVXWUHKLSA-N 280.408 3.895 30 20 CHED C#CCCCCC(=O)Nc1cc(-c2cccs2)on1 844154399 ZGLKMZHJQWDEFL-UHFFFAOYSA-N 274.345 3.535 30 20 CHED Cc1c(NN=C2CCCC[C@H]2C)cccc1C(=O)O 844626939 FUDBXKKNMTUXEQ-SNVBAGLBSA-N 260.337 3.671 30 20 CHED C#CCCCNCc1cnc(-c2ccc(C)c(C)c2)s1 848541750 VCZVYGBDXGCALM-UHFFFAOYSA-N 284.428 3.930 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2[C@@H]3CCCCCC[C@@H]23)n1 850736799 NJZXQXHJHVGHIH-JHJVBQTASA-N 288.416 3.844 30 20 CHED C#C[C@@H](OC(=O)[C@@](C)(F)CCCC)c1ccccc1 851085926 CKCHYWJHNNDAAA-ZBFHGGJFSA-N 262.324 3.823 30 20 CHED CC(C)C#CC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 854430402 IGVVLVYMPSCHGQ-NVXWUHKLSA-N 269.388 3.646 30 20 CHED C#Cc1ccc(C(=O)N(C)C2CC(C)(C)CC(C)(C)C2)nc1 855568722 LUESUOOTAKESNM-UHFFFAOYSA-N 298.430 3.740 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)/C=C\c1ccccc1C#N 856272984 QMOTTYCGOFKNCQ-MWVLQEFPSA-N 282.387 3.751 30 20 CHED CCCC[C@](C)(F)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 857629925 FSCGXJOKIDKHTO-GUYCJALGSA-N 290.382 3.996 30 20 CHED C=CCC(F)(F)C(=O)N(c1cccc(F)c1)C(C)C 857673700 UMJIBVTURKWIOL-UHFFFAOYSA-N 271.282 3.779 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CCc2ccc(Cl)cc21 858514037 NRPKIQSTIGKTLP-AWEZNQCLSA-N 278.783 3.593 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(F)ccc1C 860198521 XGNBZCJRRNVCNN-UHFFFAOYSA-N 263.312 3.507 30 20 CHED CCCOc1ccc(NC(=O)NCCCCC#N)cc1C 861628032 GONRLAGYQFSPGZ-UHFFFAOYSA-N 289.379 3.599 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C/c2csnn2)cc1 863197484 RTDLUDVLUPIHRY-FBOQAHMBSA-N 272.373 3.948 30 20 CHED C[C@@H](O)c1ccc(-c2cccc(C3(C#N)CC3)c2)cc1 864550279 QCHCRDLGOCHZOB-CYBMUJFWSA-N 263.340 3.962 30 20 CHED CCc1csc([C@H](C)Nc2nc(Cl)c(C#N)s2)n1 865898278 OZFIXNVZRVLEGV-LURJTMIESA-N 298.824 3.860 30 20 CHED CCn1nc(C)c(C=NNc2cc(Cl)ccc2F)c1C 872418156 DKPQCYZIENOEAL-UHFFFAOYSA-N 294.761 3.758 30 20 CHED C=CCC1(O)CCN([C@@H](CC)c2ccc(F)cc2F)CC1 886766927 VQTYUXKBWYTBDQ-INIZCTEOSA-N 295.373 3.819 30 20 CHED C=CC(C)(C)CC(=O)NC(C)(C)c1ccccc1OC 888804085 VEHZKPWZACNRTH-UHFFFAOYSA-N 275.392 3.649 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1ccc(C#N)s1 890611728 DYGWPVPPYZTZLJ-AWEZNQCLSA-N 282.368 3.727 30 20 CHED C=CCC(C)(C)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc12 892643846 LMCNYFYUEKXNLS-UHFFFAOYSA-N 299.330 3.684 30 20 CHED C=C1CCC(c2nc(CCCSCC)no2)CC1 896267505 YAXPOGLJMKXDHF-UHFFFAOYSA-N 266.410 3.969 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)CC1 897361383 GQFGEPHHVLSYFL-CWRNSKLLSA-N 261.409 3.770 30 20 CHED C=C1CN(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)C1 898701615 ZLBYAZSADJCURU-UHFFFAOYSA-N 277.795 3.697 30 20 CHED CN(C)C(=O)c1cccc(/C=C2/CCCC(C)(C)C2=O)c1 899363264 JRLLSOSKLRKJSH-KAMYIIQDSA-N 285.387 3.551 30 20 CHED CC[C@H](NCc1csc(C)n1)c1cccc(C#N)c1 902756319 FPFAEGPNOIZUMO-HNNXBMFYSA-N 271.389 3.564 30 20 CHED CC[C@@H](N[C@@H](C)CC(C)(C)OC)c1cccc(C#N)c1 902819614 JDSOOSQPVBLZEV-XJKSGUPXSA-N 274.408 3.803 30 20 CHED CCCCc1ccc(C(C)=NNc2nccc(OC)n2)cc1 914696350 CALYSAGHFDXFBD-UHFFFAOYSA-N 298.390 3.664 30 20 CHED C[C@@H](C/N=C\c1cc(Cl)ccc1O)N1CCCC[C@H]1C 915271434 URVMJEVFHQQORT-NLKYIXICSA-N 294.826 3.727 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc2c(c1)CCO2 920381917 BRULXWWMCMEUMT-CYBMUJFWSA-N 280.371 3.696 30 20 CHED COc1ccc(C=NN[C@H](C)c2ccccc2)cc1C 920381951 BZZIFVHPOAIBGI-CQSZACIVSA-N 268.360 3.688 30 20 CHED COc1ccc(O)c(/C=N/CCc2ccc(C)cc2C)c1 920864473 WSZMYZYTEHSRCI-XDHOZWIPSA-N 283.371 3.679 30 20 CHED N#Cc1cccc(NN=Cc2ccc(Cl)c(F)c2)c1 921258684 MUHVLVHWSDQODI-UHFFFAOYSA-N 273.698 3.797 30 20 CHED COc1cccc(C[C@@H](C)CC(=O)OCCCCC#N)c1 924303651 UWGIPIRUQZONCR-CQSZACIVSA-N 289.375 3.501 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCSc1nccs1 925103767 RPGMLWAJLMWUHQ-LLVKDONJSA-N 283.466 3.543 30 20 CHED C[C@@H](NCC1CCC(C#N)CC1)c1cccc(CN(C)C)c1 926357598 YFJCTDQNQRDURR-KLAILNCOSA-N 299.462 3.729 30 20 CHED C=C1CCN(C(=O)Nc2cccc(SC)c2)CC1 929129656 MCTTYULDGRYSDP-UHFFFAOYSA-N 262.378 3.592 30 20 CHED N#CC1(CCCCN2CC[C@@H](c3ccccn3)C2)CCC1 930316256 SPPNJTGAXCAYBJ-MRXNPFEDSA-N 283.419 3.735 30 20 CHED CO[C@@H]1CCN(CCCCC2(C#N)CCC2)CC1(C)C 930639546 HTPGVILVZNFJCR-OAHLLOKOSA-N 278.440 3.597 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cc(F)cc2ccoc12 930901983 LJSHDGBTISSKOZ-UHFFFAOYSA-N 288.322 3.584 30 20 CHED Cc1cc(C)c2c(c1)CCN(c1ccc(C#N)cc1F)C2 1120944402 MJZULXQNJJQRKB-UHFFFAOYSA-N 280.346 3.877 30 20 CHED CC[C@H](C)c1ccc(C(=O)OCc2ccc(C#N)cn2)cc1 1122862236 FDSDDFWPBNSELN-ZDUSSCGKSA-N 294.354 3.824 30 20 CHED CC(C)Oc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1 1129085056 KKZGGQFEXTVOIO-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CC[C@H](Cc1ccccc1)N(C)c1ccc(C#N)c(C)n1 1162631902 WXQLMYIXCNRLCA-QGZVFWFLSA-N 279.387 3.719 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)c2cc3ccccc3o2)n1 1163061832 HMLGNEFUNRFJLN-NSHDSACASA-N 292.342 3.830 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1ncnc2ccsc12 1163559395 SLJKRDUCTKPHBF-NSHDSACASA-N 294.383 3.760 30 20 CHED C=CCC(CC=C)c1nnc(-c2ccc3c(c2)OCO3)o1 1257731361 RGADWQBHHLIPSA-UHFFFAOYSA-N 284.315 3.701 30 20 CHED N#Cc1cc(C(=O)N2CCCCCc3ccccc32)cs1 1261260754 XJVHKVUDMAGHCD-UHFFFAOYSA-N 296.395 3.993 30 20 CHED CCCC[C@H](CC)C(=O)Nc1cnc(Cl)cc1C#N 1262797754 YJLRRECUGXKSLZ-JTQLQIEISA-N 279.771 3.762 30 20 CHED CC[C@@H](C)[C@H](C)N(Cc1ccc(C#N)c(OC)c1)C1CC1 1308616431 VPVXXKBVFHIQEO-KGLIPLIRSA-N 286.419 3.966 30 20 CHED C[C@H](C#N)CN(C)Cn1cc(-c2ccccc2)oc1=S 1318040212 XGSFEOYLJSREEW-GFCCVEGCSA-N 287.388 3.527 30 20 CHED C=CCCOCCNC(=O)c1ccc([C@H](C)CC)cc1 1319730520 BIQYKUUPOWREEQ-CQSZACIVSA-N 275.392 3.523 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccccc1N(C)C 1320096142 ZQQMGXUDIFALRK-AWEZNQCLSA-N 295.386 3.828 30 20 CHED COc1cc(C)nc(CSCCCC(C)(C)C#N)c1 1320669669 IUIIRFIKDGXDIS-UHFFFAOYSA-N 278.421 3.962 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1cc(C)oc1C 1320770160 JYAWDSLCBXKOBY-CYBMUJFWSA-N 261.365 3.657 30 20 CHED C[C@@H](OC(=O)C1(c2cccc(C#N)c2)CC1)c1ccccc1 1320874895 XUVPOSJBLKJKKW-CQSZACIVSA-N 291.350 3.894 30 20 CHED CC(C)(CCC#N)CNCc1ccccc1N1CCCC1 1324441124 GYIBXWYDPKBIGX-UHFFFAOYSA-N 285.435 3.706 30 20 CHED C=C(CC)CNC(=O)C(F)(F)c1ccc(Cl)cc1 1326728739 CLDUZAHDHAUGSR-UHFFFAOYSA-N 273.710 3.514 30 20 CHED C=CCN(C(=O)c1csc(-c2ccco2)n1)C(C)(C)C 1331462490 RGNAGSKLBKZJDN-UHFFFAOYSA-N 290.388 3.830 30 20 CHED C=CC[C@H](N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)O 1331952316 XXVPVWCOVZVOCA-MMWGEVLESA-N 299.823 3.512 30 20 CHED C[C@H]1C[C@H](CCNc2cc(C#N)cc(Cl)n2)C[C@@H](C)O1 1336638266 PPTLQODUJZJCAH-ZSBIGDGJSA-N 293.798 3.612 30 20 CHED N#CC1(COC(=O)c2nsc3ccccc23)CCCC1 1345402134 LKZRXORFPGLPNI-UHFFFAOYSA-N 286.356 3.537 30 20 CHED C=C(CC)C(=O)N(CCc1ccccc1)Cc1cccnc1 1347568244 OQMIRXJUTHORBT-UHFFFAOYSA-N 294.398 3.619 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1cccc(C)c1C 1348983792 IYYBDOHBMGMFOM-INIZCTEOSA-N 257.377 3.933 30 20 CHED CCC(=O)c1ccc(Oc2ncc(C#N)cc2F)c(F)c1 1458265130 CNORFBKUVWCSCW-UHFFFAOYSA-N 288.253 3.616 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cccc(Cl)c2F)c1 1460790650 PPALWKAXSBMZFH-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2(CC(C)C)CC2)c1 1476740513 NAMYOERDEDVIPV-UHFFFAOYSA-N 271.364 3.567 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(SC)cn1 1520250611 KQZXWJRQTHBGLU-LBPRGKRZSA-N 291.420 3.766 30 20 CHED C=C[C@@H](C(=O)NC[C@H]1CCCC1(F)F)c1ccccc1 1521646646 QVOATPSVDOWPJS-ZIAGYGMSSA-N 279.330 3.508 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H](C(C)(C)C)C1 1524146233 SNHLTZSXWBTBNB-OAHLLOKOSA-N 284.403 3.765 30 20 CHED C[C@H]1CC[C@@H](CCC(=O)O[C@@H](C)c2cccc(C#N)c2)O1 1525564793 QLKKWBVJFKOLSS-XEZPLFJOSA-N 287.359 3.510 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3c(C)cccc3o2)n1 1526861086 YCZVVTTYERBYNA-UHFFFAOYSA-N 291.310 3.569 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC(C2CCC2)C2CCC2)n1 1526861196 ZODPJJGYZGSFOD-UHFFFAOYSA-N 297.402 3.807 30 20 CHED C=C(CNC(=O)[C@@]1(C)CCc2ccccc21)c1ccccc1 1527981916 VOQJXGVBAMOVLB-FQEVSTJZSA-N 291.394 3.720 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2ccncc2c1 1534737871 BTTTURLSPWPIGF-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=C(CC)C(=O)N(CCC)[C@H]1CCCc2cccnc21 1548687709 UQBBPHQABHMUEV-HNNXBMFYSA-N 272.392 3.664 30 20 CHED Cc1c(C#N)cccc1C(=O)NC1CCC(C2CCC2)CC1 1587771976 KNVVDRQFTSNKEV-UHFFFAOYSA-N 296.414 3.955 30 20 CHED C#CC1CCC(=NNc2ccc(C(=O)O)c(Cl)c2)CC1 1588382644 RJWGNNWMDQOUAP-UHFFFAOYSA-N 290.750 3.630 30 20 CHED C=C1CCC(C(=O)Oc2ccc(C(=O)O)c(Cl)c2)CC1 1588649995 RFQICODPCMABDH-UHFFFAOYSA-N 294.734 3.690 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(C(=O)O)cs2)s1 1600397424 IQJSGGGNJVXNKU-PLNGDYQASA-N 278.354 3.712 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 1624718031 CLAIKBVBEYOUFM-UHFFFAOYSA-N 294.141 3.754 30 20 CHED CC[C@H]1CCCC[C@H]1CNc1nccc(C)c1C#N 1639973352 XUPFVWLUKKVRLL-KBPBESRZSA-N 257.381 3.890 30 20 CHED Cc1nsc(Nc2ccc(Cl)c(N(C)C)c2)c1C#N 1640438609 OXIZTTQCCPXBBL-UHFFFAOYSA-N 292.795 3.786 30 20 CHED Cc1nsc(NCC2(CC(C)C)CCC2)c1C#N 1642437410 KAQIWDIGNABVDT-UHFFFAOYSA-N 263.410 3.952 30 20 CHED Cc1nc(C#N)cc(N[C@H]2C[C@H](c3ccccc3Cl)C2)n1 1642740609 PWIDGQQROSUHIZ-HAQNSBGRSA-N 298.777 3.668 30 20 CHED N#Cc1c(F)cccc1N1CCc2c(F)cccc21 1651727008 XQQVELWZZBQBOA-UHFFFAOYSA-N 256.255 3.531 30 20 CHED C[C@@H]1CCC[C@H](CNCc2ccc(C#N)c(F)c2)[C@@H]1C 1659009538 PKMWEGULLAQBNK-XJKCOSOUSA-N 274.383 3.859 30 20 CHED CCC(=NNc1ccc(F)c(C(=O)O)c1)[C@@H]1CC1(C)C 1776063630 ZSACOQUDPZPECW-NSHDSACASA-N 278.327 3.748 30 20 CHED CC(=NO[C@H](C)c1ccccc1)c1ccc(CC(=O)O)cc1 1776083229 SQONQRXPFQJPEI-CQSZACIVSA-N 297.354 3.816 30 20 CHED CCCn1c(C)cc(C(=O)COc2ccccc2C#N)c1C 3532698 ZBYGFPMOUQCZQT-UHFFFAOYSA-N 296.370 3.648 30 20 CHED CN(C(=O)c1ccc(C#N)cn1)c1ccc(C(C)(C)C)cc1 107459903 ZQQXRNPPACCYGG-UHFFFAOYSA-N 293.370 3.527 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2cccnc2Cl)c1 171350991 AJZOLEZYJDNPTC-VOTSOKGWSA-N 268.703 3.503 30 20 CHED C[C@@H]1CN(C(=O)C2(C#N)CCCC2)CC[C@H]1c1ccccc1 173946689 WDZJWKGMZSEFIK-NVXWUHKLSA-N 296.414 3.723 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 116973283 LWERWPOHDINRNU-GHMZBOCLSA-N 282.334 3.632 30 20 CHED C[C@@H](c1cccs1)N(C)c1cccc(F)c1C#N 105990211 JJCCRGUSBKZDIT-JTQLQIEISA-N 260.337 3.956 30 20 CHED C[C@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H]1C 178824100 WONCIMWNRZZADF-ZOBUZTSGSA-N 299.418 3.861 30 20 CHED CCC[C@@H](C)N(C)C(=O)Nc1cc(C#N)ccc1C 58451534 UEUVGCLLYLAGSX-GFCCVEGCSA-N 259.353 3.519 30 20 CHED C[C@H](Nc1ncccc1C#N)c1cccc(OC(F)F)c1 52218048 WAANLSRKFLUDSM-JTQLQIEISA-N 289.285 3.728 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1cccc(OC(F)F)c1 52218049 WAANLSRKFLUDSM-SNVBAGLBSA-N 289.285 3.728 30 20 CHED CCN(CCc1cccs1)Cc1ccc(C#N)c(C)c1 486649960 ITDXCVKUZNMKCT-UHFFFAOYSA-N 284.428 3.993 30 20 CHED CCOc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1 112371193 OJFBLBBAAMICDY-AWEZNQCLSA-N 296.370 3.988 30 20 CHED CCCCCCCN1CCC[C@H](C(C)(C)C(=O)O)C1 135024914 GMHMTEOJLQANGM-AWEZNQCLSA-N 269.429 3.780 30 20 CHED N#Cc1c(F)cccc1NCc1ncc(-c2ccccc2)[nH]1 301186554 POJYRFWUEVRGJD-UHFFFAOYSA-N 292.317 3.700 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@H](C)CC[C@@H]1C 1359141551 KLWDCRNEORERIY-YPMHNXCESA-N 296.846 3.779 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCc2nc(C)cs2)c1 302108740 OPCBSOXXVDIUCP-UHFFFAOYSA-N 299.399 3.571 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cc2cc(F)ccc2o1 177578230 LYYDQAUSMQIZIK-UHFFFAOYSA-N 298.248 3.835 30 20 CHED C#CCCCCC(=O)Oc1ccc2ccc(OC)cc2c1 119512551 JDHPWGDBJDKOHS-UHFFFAOYSA-N 282.339 3.947 30 20 CHED CCN(C(=O)C[C@@H](C)SC)[C@@H](C)c1ccc(C#N)cc1 179259109 BNCLLQNTQMPPQC-OLZOCXBDSA-N 290.432 3.609 30 20 CHED C#CCCCNC(=O)C[C@H](C)c1ccc(C(C)C)cc1 172947329 GXEYYKYNXLLGJZ-HNNXBMFYSA-N 271.404 3.833 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)c1 23164412 WCCIPHRAUDVWDB-FNORWQNLSA-N 283.283 3.505 30 20 CHED C[C@H]1[C@H](C)CCN1c1cc(C#N)ccc1C(F)(F)F 302276993 IZFKRIRZBLZYKD-ZJUUUORDSA-N 268.282 3.812 30 20 CHED C[C@@H](C#N)OCCOc1c(Cl)cc(Cl)cc1Cl 302427681 RWCZBAVCGFNQTO-ZETCQYMHSA-N 294.565 3.954 30 20 CHED N#Cc1c(F)cccc1NCCc1cc2ccccc2[nH]1 301729964 CTKPTMBJAWDSBK-UHFFFAOYSA-N 279.318 3.833 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 122497730 CFNMKSWYBFEEMQ-LLVKDONJSA-N 284.746 3.954 30 20 CHED N#Cc1ccc(Oc2ccc(N)cc2Br)cc1 43597593 CZGOSEQZTXREFV-UHFFFAOYSA-N 289.132 3.695 30 20 CHED C#CCOc1ccc(C(=O)N2CCC[C@H](C(C)C)CC2)cc1 303845709 JEGFUFPFXDQDFG-INIZCTEOSA-N 299.414 3.597 30 20 CHED Cc1ccc(N/C(N)=N/C[C@H]2CCCc3ccccc32)cc1 303909042 YAYQZECAMUDLAX-MRXNPFEDSA-N 293.414 3.842 30 20 CHED CCCCCCCC(=O)Oc1ccc2c(c1)CCC(=O)N2 127911520 KWQQWZJEEPTYTK-UHFFFAOYSA-N 289.375 3.837 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1ccc2ccccc2c1 210441868 YFUVSGBJFXOGIQ-KTKRTIGZSA-N 276.339 3.778 30 20 CHED CC1(C)CCCN(Cc2ccc(F)c(Cl)c2)[C@@H]1C#N 444724809 LLEFBSHCJKWRDV-CQSZACIVSA-N 280.774 3.993 30 20 CHED Cc1ccc(F)cc1CN1CCCC(C)(C)[C@@H]1C#N 444726572 OPXWXXHUJCBQES-HNNXBMFYSA-N 260.356 3.648 30 20 CHED CC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N 316578163 MUOYXOOLOJXOGF-HNNXBMFYSA-N 295.342 3.900 30 20 CHED C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc21 506522896 BCJCVFPOAMXGGD-LLVKDONJSA-N 296.757 3.976 30 20 CHED C[C@@H](NCCOC1CCCCCC1)c1cccc(C#N)c1 181977817 AUPXQHDMUSYTRA-OAHLLOKOSA-N 286.419 3.948 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Sc1ccc(OC)cc1 410130929 ACZGINVGWSYJHI-OLZOCXBDSA-N 293.432 3.647 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)c(Br)c1 181545363 WMOHJSPHUGTPPU-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=CCCCC(=O)N[C@H](CC=C)Cc1ccccc1 412839343 LOYWDGQXYJWDIK-MRXNPFEDSA-N 257.377 3.646 30 20 CHED CCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 185722767 FILNOHRSNWLURL-ZIAGYGMSSA-N 258.365 3.888 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc(C#N)cc1 184771074 DYQGFWCTDBCPHS-VOTSOKGWSA-N 269.325 3.524 30 20 CHED CC(C)[C@@H](NCC#N)c1ccc(C(F)(F)F)cc1 181502111 VQLGUWBQFPAFJB-GFCCVEGCSA-N 256.271 3.516 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)CC=C 413993241 ZECCRRVAIRGSEU-INIZCTEOSA-N 271.404 3.892 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OCC)cc1C 188325353 KJUVJZBLRCYFQT-KRWDZBQOSA-N 291.391 3.561 30 20 CHED N#C[C@H]1CCC[C@H](NCC2(c3cccc(F)c3)CC2)C1 185837575 HXWKGPMGLHMKKZ-BBRMVZONSA-N 272.367 3.529 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2OCC2CC2)cc1 76932631 FWJYNIKJHRDFEX-UHFFFAOYSA-N 292.338 3.599 30 20 CHED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(C#N)cc1F 413160865 VAYHGJZGHDHTAJ-SMDDNHRTSA-N 299.324 3.614 30 20 CHED C#C[C@H](C)NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 186081090 BZBOQJZNKOFPPF-LSDHHAIUSA-N 284.403 3.581 30 20 CHED N#Cc1cnc(Oc2cccc(-n3ccnc3)c2)c(Cl)c1 77982068 KOYDPBLRSSSKDE-UHFFFAOYSA-N 296.717 3.585 30 20 CHED COCCCCCSCc1ccc(C#N)c(C)c1 485572528 FMFMRPLJBOWFFF-UHFFFAOYSA-N 263.406 3.917 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H]1CC12CCOCC2)c1ccccc1 123046647 ZPGQUQLCLZQVTD-DLBZAZTESA-N 299.414 3.627 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCc3ccsc3C2)cc1 127057539 AZQZWJVQPVPMDH-ZDUSSCGKSA-N 298.411 3.597 30 20 CHED C[C@]1(c2ccccc2)CC[C@@H](N(CCC#N)CCC#N)C1 188218910 JXVFVSNHUSALNW-MSOLQXFVSA-N 281.403 3.626 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@@H](C)C[C@H]2CC)c1 72940101 CEDIRYXDMITHPO-DZGCQCFKSA-N 288.391 3.904 30 20 CHED CC(C)c1ncc(CN(C)Cc2ccc(C#N)cc2)s1 131161282 KVIKCKRSPQVYOC-UHFFFAOYSA-N 285.416 3.770 30 20 CHED CC#CCCCC(=O)N(CC(F)(F)F)[C@@H](C)C(C)C 185704882 INHJRECBZBIEJL-LBPRGKRZSA-N 277.330 3.615 30 20 CHED C=CCOCCCC(=O)Oc1ccc2ccccc2c1 79345085 KCRJIPOMIGXNIO-UHFFFAOYSA-N 270.328 3.728 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)Oc2c(F)cccc21 185543215 OIWOPFBDLYULGN-GFCCVEGCSA-N 289.350 3.708 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1CCC(F)(F)CC1 501248213 VNTYTTRYSOULPB-CYBMUJFWSA-N 259.340 3.530 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1scc(C)c1C#N 410861009 RJVSGKDUKVKXRK-MRVPVSSYSA-N 290.310 3.845 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H]2CCC[C@H]2C)s1 186657891 GGFXTAUVXRDJHK-MNOVXSKESA-N 276.405 3.947 30 20 CHED C=CCC[C@@H](NC(=O)N(C)C(C)C)c1ccccc1 131085633 HCCRRLULNSDXSL-OAHLLOKOSA-N 260.381 3.744 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCCc2sccc21 136571164 RGQPNPZZAMHLOG-ZDUSSCGKSA-N 276.405 3.509 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(C)s2)c1C 131155796 CEIXYSCBRRUNSA-CMDGGOBGSA-N 274.389 3.786 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2nc(C3CC3)cs2)CCC1=O 328911643 GOIPNDGGRAGGDG-PSASIEDQSA-N 278.377 3.614 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 45672761 KEYLWDCFNXDSDQ-UHFFFAOYSA-N 278.355 3.611 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)cc1Cl 136166057 HFCQPDRFESNNAC-GFCCVEGCSA-N 271.147 3.872 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 192130551 CSGIWQHTGRZYKY-HZPDHXFCSA-N 269.388 3.503 30 20 CHED Cc1cccc(C(C)(C)CNc2ncccc2C#N)c1 49469890 ZMHRNHHLOLDYRO-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CC[C@@H]1CCC[C@H](/N=C(/O)[C@H]2CCC(=O)c3cccn32)C1 329828213 DCSLHFHLNGROEI-VNHYZAJKSA-N 288.391 3.931 30 20 CHED CC(C)CCOCCNc1c(C#N)cnc2ccccc12 45108164 OTMHRFVSUOKKFL-UHFFFAOYSA-N 283.375 3.581 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC[C@H](C#N)CCC#N 191877474 TTXJMFFZCNYEJV-HRCADAONSA-N 261.413 3.624 30 20 CHED Cc1nc(C)c(CN(C)[C@@H](C)c2cccc(C#N)c2)s1 425363653 CIWXGHLHTYUDAG-LBPRGKRZSA-N 285.416 3.825 30 20 CHED CO[C@H]1CCCC[C@H]1C(O)=Nc1scnc1C1CC1 328980607 XWVGGEFMSLKQDD-MNOVXSKESA-N 280.393 3.814 30 20 CHED N#Cc1nnc2ccccc2c1Nc1cccc(Cl)c1 41529607 GZRLLXMXARTAJL-UHFFFAOYSA-N 280.718 3.898 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(C)(C)C1CC1 425632963 DVOJYJJFTLWYAB-GFCCVEGCSA-N 270.376 3.514 30 20 CHED C=CCCOCC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 138339306 DBSWAXULOBXKON-MRXNPFEDSA-N 295.810 3.746 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(Br)cc(F)c1O 134928654 KSOHUUJFHYBNDU-JGVFFNPUSA-N 288.160 3.519 30 20 CHED C[C@H](Nc1snc(Cl)c1C#N)c1ccccc1 48543801 SJWMDAHVGDIALZ-QMMMGPOBSA-N 263.753 3.841 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H](C)C1CCCCC1 513343441 PTIGGWILEUZQRN-CQSZACIVSA-N 274.408 3.715 30 20 CHED C=CCC1(C(=O)Nc2ccc(C#N)c(C#N)c2C)CCCC1 421552880 CUMGVDMEVXMZAQ-UHFFFAOYSA-N 293.370 3.813 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 426053365 WQTJGMUSCOKKRN-ZDUSSCGKSA-N 294.354 3.988 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN(CCC#N)Cc1ccco1 81517765 BIPHAKWHMFKOQO-NVXWUHKLSA-N 290.407 3.591 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1CC(F)(F)F 86300597 DJCQNHBAISTMRT-JTQLQIEISA-N 299.296 3.557 30 20 CHED CCC1(C)CCN(C(=O)Nc2cccc(CC#N)c2)CC1 334985246 LESXURPAIXQODD-UHFFFAOYSA-N 285.391 3.797 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2ccc(F)cc2C#N)C1 178894753 IRFSVRFHZKWTOY-LLVKDONJSA-N 274.339 3.852 30 20 CHED Cc1cc2cc(C(=O)N(C)CC(C)(C)C#N)oc2cc1C 335763595 KQZWCKLCGAVZDT-UHFFFAOYSA-N 284.359 3.671 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCc2ccccc2OC1 510936880 WIRRNMPPVDQQTO-CVEARBPZSA-N 259.393 3.715 30 20 CHED CC[C@H]1CCCCN1C(O)=Nc1cc(F)cc([N+](=O)[O-])c1 330978223 OQMVWOPXCTZFPP-LBPRGKRZSA-N 295.314 3.544 30 20 CHED C=CCN=c1[nH]nc(SCc2cc(C)sc2C)s1 517996607 XPJIGKDVCAWFHJ-UHFFFAOYSA-N 297.474 3.529 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCCC1(C)C 425497925 XNRUURZAAUOSKH-CJNGLKHVSA-N 299.418 3.839 30 20 CHED C=C[C@H](C)NC(=O)N1CC=C(c2ccc(CC)cc2)CC1 93136364 RSDXBTQEXNORAO-AWEZNQCLSA-N 284.403 3.622 30 20 CHED Cc1cc2cc(N=c3[nH]ccc(C#N)c3Cl)ccc2[nH]1 429215239 OQYSCRUVYGBKKS-UHFFFAOYSA-N 282.734 3.562 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(F)cc1C#N 97036629 HFHAQNIFLVVVSG-GFCCVEGCSA-N 297.333 3.922 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CC=CCC1 425649532 DOPDQAFDIZQAET-LSDHHAIUSA-N 297.402 3.617 30 20 CHED Cc1nsc(NCc2ccccc2OC(F)F)c1C#N 339969285 PKLSIFRFJJVOLD-UHFFFAOYSA-N 295.314 3.537 30 20 CHED CC1(C#N)CCN(C(=O)Nc2ccc3ccoc3c2)CC1 333312780 JNWYLVMFSKJEIM-UHFFFAOYSA-N 283.331 3.590 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](CC)C1 518569882 KZPVWHLCVVHBIK-ZIAGYGMSSA-N 276.428 3.604 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(c3ccccc3F)CC2)C1 518571968 RIQWLDACCJCCHT-HIFRSBDPSA-N 272.367 3.697 30 20 CHED C=CCOCC(=O)Nc1ccc2oc3ccccc3c2c1 517800199 KPDGHLGHEOVLTK-UHFFFAOYSA-N 281.311 3.727 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1ccccc1C 179792250 ZGEWMULYCQTNEG-QGZVFWFLSA-N 269.388 3.852 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)NC1CCCCCC1 331498426 SAECZAPMKFSDFT-INIZCTEOSA-N 284.403 3.598 30 20 CHED CCCN(CC#N)CCc1ccc2ccccc2c1 511735707 ABCSQZKVWFHVNT-UHFFFAOYSA-N 252.361 3.618 30 20 CHED C=CC[C@H](C)NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 437444580 GBSHWKFZEDOCMO-QJPTWQEYSA-N 292.345 3.619 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/C1CCCCC1 330028284 OFZACAIEMCOMPE-UHFFFAOYSA-N 262.353 3.573 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCCC1CCCCC1 437244728 NBGXMERGGZWLSI-CVEARBPZSA-N 251.414 3.528 30 20 CHED Cc1cc(CN(CCC#N)CC2CC2)ccc1Cl 180429636 BOPZSWMNUDPGCR-UHFFFAOYSA-N 262.784 3.774 30 20 CHED CCN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H](C)C#N 91983349 NIDJREKFEHWEEX-VIFPVBQESA-N 287.190 3.681 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCc1cccc(F)c1 436306829 PMMKYPDXVJUPPH-ZVZYQTTQSA-N 291.410 3.718 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1=CCCCC1 526113971 PZVYZEBMKMXQGT-UHFFFAOYSA-N 269.388 3.744 30 20 CHED CCCN(CC1(C#N)CC1)[C@@H]1C[C@@H](OCC)C12CCCC2 343321974 PGTJSFCTYMTVRZ-HZPDHXFCSA-N 290.451 3.740 30 20 CHED C=CCOc1cccc(CN(C)Cc2occc2C)c1 430157525 QUIUEHKIOFIUFZ-UHFFFAOYSA-N 271.360 3.785 30 20 CHED Cc1cc(Oc2ncnc3[nH]ccc23)c(C)c(C)c1C#N 343918279 RBPYTYJRMXLGCT-UHFFFAOYSA-N 278.315 3.547 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(N(CC)C(C)C)cc1 521176887 NEIRUXHGSWMNCI-UHFFFAOYSA-N 288.435 3.960 30 20 CHED C=CCC[C@H](CC)NCC1(CO)CC(c2ccccc2)C1 433080945 FKLZSQWTNRCWCF-XBMUEBEBSA-N 287.447 3.877 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCCCC1CCCC1 602506768 GTPSWNQEVQDSHZ-HNNXBMFYSA-N 278.440 3.645 30 20 CHED Cc1ccc(C#N)cc1OCc1cn2ccccc2c1C#N 345500157 CYSLGJKUMDTRGX-UHFFFAOYSA-N 287.322 3.570 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2cc(C#N)cs2)C1 600226327 OUGKTRCBDWVRMI-UHFFFAOYSA-N 276.405 3.661 30 20 CHED C=CCCCCCN(C)C(=O)CCOc1ccc(F)cc1 606813888 DEMZLKVMACGYTL-UHFFFAOYSA-N 293.382 3.799 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)c1sccc1C#N)C1CC1 342702216 VHNANCUCJGOAPN-LBPRGKRZSA-N 296.395 3.986 30 20 CHED CC(C)c1ccccc1-n1ccnc1SCC#N 342733633 QAETVVZJLMWWQL-UHFFFAOYSA-N 257.362 3.611 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1cc(C#N)ccn1 342833282 YDBQDJWQHWIRAF-CYBMUJFWSA-N 251.333 3.743 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC)c1ccc(OC(F)F)cc1 341892205 WHBXXGNXVJDFEM-WFASDCNBSA-N 299.361 3.513 30 20 CHED C=CCCCS[C@@H](C)C(=O)N(C)C1CCCCC1 522758320 RPOLDMPGSWNUBG-ZDUSSCGKSA-N 269.454 3.865 30 20 CHED C=CCC[C@@H](NCC[C@@H]1CCCN1C)c1ccccc1 341948613 VDDVTIFANFZAED-ZWKOTPCHSA-N 272.436 3.768 30 20 CHED CC[C@@H](N[C@@H]1C[C@]1(C)OC(C)C)c1ccc(C#N)cc1 528003772 CJJIDPQMKURBNT-ZACQAIPSSA-N 272.392 3.555 30 20 CHED CSCCCCCCNCc1cc(C#N)cs1 184179376 IDYLJVKAYJCLSN-UHFFFAOYSA-N 268.451 3.633 30 20 CHED Cc1ccc(-c2cnn(Cc3ccc(C#N)cc3)c2)cc1 523316943 CSMGQJUXDFNFAB-UHFFFAOYSA-N 273.339 3.779 30 20 CHED N#CC1(CSCc2cc(-c3cccs3)on2)CC1 344482010 IHLIOVCFPXTJMG-UHFFFAOYSA-N 276.386 3.940 30 20 CHED CC[C@@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(C#N)cc1 447538318 BAFNSJILHQIMTH-AUUYWEPGSA-N 294.398 3.936 30 20 CHED COc1cc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1C#N 442838464 SQRYQAZNCCCTMS-IAOVAPTHSA-N 284.403 3.577 30 20 CHED CCC[C@@H](Cc1ccccc1)Nc1cccc(C#N)n1 522936129 HOMZHSQTRXGTDD-HNNXBMFYSA-N 265.360 3.777 30 20 CHED Cc1ncc([C@@H](C)N(C)[C@@H](C)c2cccc(C#N)c2)c(C)n1 602691980 JWQAWALLZYKOOO-UONOGXRCSA-N 294.402 3.719 30 20 CHED C[C@@H](CCC#N)CNc1cnn([C@@H](C)c2ccccc2)c1 602698668 DZGQPOBAXZYZPD-GJZGRUSLSA-N 282.391 3.844 30 20 CHED CCS[C@H](C)c1noc(C2(c3cccc(C#N)c3)CC2)n1 357330462 OQNHIBCORASVTK-LLVKDONJSA-N 299.399 3.835 30 20 CHED N#CCCNC(=O)c1csc(-c2ccc(Cl)cc2)c1 351592735 AWVJUBLLPIKLSB-UHFFFAOYSA-N 290.775 3.712 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)CCCC1 449242770 GMNXDVJYVBXCMK-CYBMUJFWSA-N 297.402 3.877 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCCC[C@@H]1CC(C)C 449974035 LNKPFMKRVOFCAT-OAHLLOKOSA-N 287.407 3.626 30 20 CHED C=C1CCN([C@@H](C)C(=O)Nc2cccc3ccccc23)CC1 533281025 BSDOAWGEGFDOAL-HNNXBMFYSA-N 294.398 3.819 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(-c2ccsc2)no1 359916488 IAWFFRZWRHRKCJ-JTQLQIEISA-N 281.340 3.822 30 20 CHED C[C@@H]1c2ccccc2OCCN1Cc1ccc(C#N)cc1F 609145836 RWHXRLAUBJVNLK-CYBMUJFWSA-N 296.345 3.653 30 20 CHED COCCCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 442868005 BIGWSTHQLDMBCL-NXHRZFHOSA-N 286.419 3.826 30 20 CHED CCCN(C(=O)c1cc(C#N)c[nH]1)[C@H](CC)c1ccccc1 267107796 BAOLMKHAJRNEMM-QGZVFWFLSA-N 295.386 3.890 30 20 CHED N#C[C@H]1CC[C@H](NCCOc2ccc3ccccc3c2)C1 442709388 AFPODMREAMXLNQ-YOEHRIQHSA-N 280.371 3.500 30 20 CHED C=CCN(CCC#N)C/C(C)=C/c1ccccc1COC 353584474 HBXRTWZQMFSPCC-DTQAZKPQSA-N 284.403 3.638 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1nc(C#N)cs1 356300900 KGVZJGAUAHRUEI-HIFRSBDPSA-N 297.427 3.783 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(-c2ccccn2)cc1 353985394 ZWIHYOGQEURIQP-ZDUSSCGKSA-N 281.359 3.835 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](CC(C)C)c1ccccc1 538828558 MOYKXAYVKWVZRF-HZPDHXFCSA-N 272.392 3.625 30 20 CHED C[C@@H]1CCC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 533322768 HQBATLHIHRXORG-PBHICJAKSA-N 259.368 3.688 30 20 CHED CC(C)C(C)(C)CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 445868091 DMAVODOWPOGPOE-ZDUSSCGKSA-N 287.407 3.601 30 20 CHED N#Cc1c(F)cccc1SC1Cc2ccccc2C1 610281508 ZUXQWXXEMBBMGZ-UHFFFAOYSA-N 269.344 3.957 30 20 CHED C=CCN(C(=O)[C@H](C)Sc1ccc(Cl)cc1)C1CC1 536820883 LPMSFWRWHQJTBG-NSHDSACASA-N 295.835 3.998 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(C(=O)NCC)cc1 449075634 FQAYVUUGSNIOMR-OAHLLOKOSA-N 288.435 3.661 30 20 CHED Cc1cc(C)c(CC(=O)Nc2ccc(F)c(C#N)c2)c(C)c1 539122804 NTLFDFDTWLQTSV-UHFFFAOYSA-N 296.345 3.804 30 20 CHED COc1cc(CNCc2ccc([C@@H]3C[C@H]3C)o2)ccc1C#N 353223300 SPVKZOGPNFXJHE-MLGOLLRUSA-N 296.370 3.573 30 20 CHED CC1(C#N)CCC(Nc2cnc3c(c2)CCCC3)CC1 449233736 MUYRAUHXLSDEOV-UHFFFAOYSA-N 269.392 3.845 30 20 CHED C=CCC1(C(=O)N[C@H](CC)[C@H]2CCCO2)CCCCC1 450245654 PHAUMLCEPRLKJR-HUUCEWRRSA-N 279.424 3.587 30 20 CHED Cc1nc(N2CC(c3cccc(Cl)c3)C2)ccc1C#N 450822014 AWOMRXOOENIJGF-UHFFFAOYSA-N 283.762 3.519 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCO[C@@H](CCC)C2)CCCCC1 456367997 OLGAKQWYXWXMGY-CVEARBPZSA-N 293.451 3.977 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](c2cccnc2)C(C)C)C1 617779493 BMRUZZOHRZUYMB-RDJZCZTQSA-N 286.419 3.636 30 20 CHED C[C@H](C[C@H]1CCOC1)Nc1ccc(C(F)(F)F)c(C#N)c1 618579335 RRBBSQHTDGAKJB-GHMZBOCLSA-N 298.308 3.804 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 455518052 FZEQFQFPAIOYKO-INIZCTEOSA-N 290.382 3.508 30 20 CHED C[C@H](NC(=O)CCCC#N)c1cc2ccccc2s1 360184972 WCUVCYAOLTYKLT-NSHDSACASA-N 272.373 3.772 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@](C)(C#N)C1 619809588 YIURKAFAHLAKPP-SCTDSRPQSA-N 296.414 3.505 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1=CC[C@@H](C)CC1 455187624 SLHDHXUHAZUMOY-LLVKDONJSA-N 254.333 3.552 30 20 CHED N#CCCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 273032914 NEQGHAVTRZDALH-WDEREUQCSA-N 297.185 3.517 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1O 273533121 WTAXJZNCYJAEHH-LBPRGKRZSA-N 296.345 3.743 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CCC1 611126091 LOMLDKWWCSRHNG-SECBINFHSA-N 277.755 3.522 30 20 CHED N#Cc1ccc(/C=C/c2nc(-c3ccc(F)cc3)no2)cc1 546249814 MZRFGWJGJCSNHU-BJMVGYQFSA-N 291.285 3.918 30 20 CHED C[C@@H]1c2cc(F)cc(F)c2CCN1CC1(C#N)CCC1 450481252 DDEQAILXTOYMIP-LLVKDONJSA-N 276.330 3.578 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)c1ccc(F)cc1F 452778880 ZYJAPAUSNXTUBC-NSHDSACASA-N 281.346 3.787 30 20 CHED CN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H]1CC1(C)C 458846164 QRAKUVCIVVEWTN-HZPDHXFCSA-N 299.418 3.861 30 20 CHED C#CCCCCC(=O)Nc1cccc(SC)c1C 271629494 FKAMTYOXWPDQRS-UHFFFAOYSA-N 261.390 3.849 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@H]1N[C@H]1CC[C@@H](CC#N)C1 453289134 IBTAIFOHBUPGMH-HJXMPXNTSA-N 272.367 3.731 30 20 CHED C=CCC1(CN[C@H](C)c2cnc(C)nc2C)CCCC1 453360212 JSADHPCTSYLRQG-CYBMUJFWSA-N 273.424 3.881 30 20 CHED C=C(CC)CNC(=O)[C@H](OC1CCCC1)c1ccccc1 456832165 WFBSHLSNHDEIRF-QGZVFWFLSA-N 287.403 3.769 30 20 CHED CC(C)(C#N)CCCOc1cnn(Cc2ccccc2)c1 276441308 KLLWNRYGKMRLPH-UHFFFAOYSA-N 283.375 3.640 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(F)cc1OCCC 276078777 KVKXVFVGLCADTI-UHFFFAOYSA-N 280.343 3.654 30 20 CHED Cc1cccc(C)c1OC[C@@H](NCCCC#N)C(C)(C)C 540519274 IOIWFVLRJIZPGC-MRXNPFEDSA-N 288.435 3.990 30 20 CHED COCCOc1ccc(C#N)cc1NCC1CCCCC1 542223955 FDTIIIQVZAPJBS-UHFFFAOYSA-N 288.391 3.576 30 20 CHED C=CCCN[C@H](COc1ccccc1)c1ccccc1 540419684 YPRAECHWRMJXIS-GOSISDBHSA-N 267.372 3.972 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 281124661 GVZGRCLXDKTMCP-HIFRSBDPSA-N 288.366 3.518 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(OC(C)C)c1 280670842 PULTUHGJHDRACI-FUHWJXTLSA-N 289.419 3.545 30 20 CHED Cc1cccc(O[C@H](C)CNc2cccc(F)c2C#N)c1 462911686 LQSMPKBGSSWXKT-CYBMUJFWSA-N 284.334 3.885 30 20 CHED C#CCN(C)C(=O)Nc1c(CCC)cccc1C(C)C 283696491 WPOMQCAEXZPQJS-UHFFFAOYSA-N 272.392 3.859 30 20 CHED C=CCCN(C)C(=O)[C@@H](SCc1ccccc1)C(C)C 466645331 RMBCBMHTTNWOHO-INIZCTEOSA-N 291.460 3.979 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1-c1cnn(C)c1 373623772 NGNMAYQWSXEGDB-UHFFFAOYSA-N 287.338 3.521 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC(F)F)c(F)c1 466405368 ONTYILDJTLJNMR-NSHDSACASA-N 273.298 3.871 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2cc3ccccc3o2)no1 285697562 ZXPOTCGPSLHMAP-HNNXBMFYSA-N 267.288 3.674 30 20 CHED CCCCc1ccc(CC(=O)N[C@H](C#N)C(C)(C)C)cc1 464710836 LFKPIFYUSXFBPJ-MRXNPFEDSA-N 286.419 3.626 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ocnc2C2CC2)cc1 289172224 VETYOEMBIRIWRN-UHFFFAOYSA-N 295.342 3.605 30 20 CHED C=CCOCCCC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 469753484 RRHKHVPBALXEFE-HZPDHXFCSA-N 281.440 3.690 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 466432745 YZKLODVHABBTBT-FUHWJXTLSA-N 284.403 3.983 30 20 CHED Cc1ccc([C@@H]2CCN(C[C@H](C#N)CCC#N)C2)c(C)c1 280460025 OKKXKLQVMPAYTD-DLBZAZTESA-N 281.403 3.536 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@](C)(CC)C1 466317264 IUKXJUAWIKCGGR-HIFRSBDPSA-N 252.402 3.563 30 20 CHED CCOc1ccc(N(CC)C(=O)c2cc(C#N)oc2C)cc1 280662861 XPUNPDFOETZCBN-UHFFFAOYSA-N 298.342 3.525 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(OCC(=C)C)c1 806254754 RTALZQHHBLEBQE-CQSZACIVSA-N 286.375 3.565 30 20 CHED C#C[C@H](Nc1nccc(C)c1C#N)c1ccc(Cl)cc1F 804808855 WKNWQSITYMOWFA-HNNXBMFYSA-N 299.736 3.841 30 20 CHED CCC(CC)=NN[C@H](C)CCc1ccc2c(c1)OCO2 802713501 MRRHQGDZKDVZNY-GFCCVEGCSA-N 276.380 3.502 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)C(F)(F)F 470645630 RHUZBXBKNONBSM-GFCCVEGCSA-N 285.309 3.790 30 20 CHED C#CCCCC(=O)O[C@@H]1CCc2cc(Cl)ccc21 803470726 FZENTMDZUKMNLK-CQSZACIVSA-N 262.736 3.674 30 20 CHED C#Cc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1 809636567 BTZPYSIGFDJFEL-CQSZACIVSA-N 276.339 3.571 30 20 CHED CCCCCCC[C@@H](C)CNCc1cn(C)cn1 808380976 JPJJEAUXAYOCSA-CQSZACIVSA-N 251.418 3.506 30 20 CHED C#C[C@H](NC(=O)[C@](C)(C=C)CC)c1ccc(Cl)cc1F 804422586 SGPHNTFBCMQNBX-GOEBONIOSA-N 293.769 3.872 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2cc(C)ccc2O1 476538430 DWAAITLVNYKUAO-RHSMWYFYSA-N 287.403 3.550 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1ccccc1[N+](=O)[O-] 805695997 RWFSNWVTNZEJCZ-LBPRGKRZSA-N 290.319 3.673 30 20 CHED C[C@H](C#N)OCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 801943779 HVUFLXULMIRHGN-QXCFHYIPSA-N 298.430 3.573 30 20 CHED CC#CC(=O)Nc1cccc(OCc2ccccc2C)c1 801155122 PGJGYTQWPNKZBZ-UHFFFAOYSA-N 279.339 3.536 30 20 CHED C[C@H](C1CC1)n1cc(Nc2nc(Cl)c(C#N)s2)cn1 804624148 LGRRMTGIOHVTJG-SSDOTTSWSA-N 293.783 3.579 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC1CCC1)CC1CC1 474654937 FYASIRMKMMPTFZ-AWEZNQCLSA-N 278.440 3.953 30 20 CHED COC(=O)c1c(F)cccc1NN=C(C)c1cccs1 800817055 MJQIZUCGWGBJIO-UHFFFAOYSA-N 292.335 3.510 30 20 CHED C#Cc1ccc(CNCC2(c3cccc(F)c3)CC2)cc1 809621527 ICDWZUKPYPPXMO-UHFFFAOYSA-N 279.358 3.628 30 20 CHED C=CCCc1noc(-c2oc3ccccc3c2COC)n1 297170140 DJYDGZYKAVPEBQ-UHFFFAOYSA-N 284.315 3.748 30 20 CHED CCc1ccc([C@@H]2CCN(C(=O)CC(C)(C)C#N)C2)cc1 293480566 XJFYAURPJNYNMQ-MRXNPFEDSA-N 284.403 3.505 30 20 CHED CCC[C@@H](C)c1noc(-c2ccccc2OCC#N)n1 809360425 YFKSOQNFVUYNCT-LLVKDONJSA-N 271.320 3.543 30 20 CHED C=CCCCCS(=O)(=O)[C@@H](C)c1ccc(F)cc1 562740634 LALUPZUGXRPXCX-LBPRGKRZSA-N 270.369 3.658 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 488772393 ZGOBYAINFNIEHM-NVXWUHKLSA-N 294.398 3.692 30 20 CHED C=CCCO[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1CC 482827492 NFAJKGITLHXOIA-ZBFHGGJFSA-N 287.403 3.726 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NCCc1cccc(C#N)c1 561281961 ZZOBYZSLPAQWKP-AWEZNQCLSA-N 286.419 3.679 30 20 CHED Cc1ccnc(NN=C2CCCCc3ccc(N)cc32)c1 817325931 PFASTLZDNRIIOB-UHFFFAOYSA-N 280.375 3.515 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](c2ccccc2C)C1 489007233 FPSSSKNRSGPXRB-INIZCTEOSA-N 294.398 3.612 30 20 CHED Fc1ccc(-c2[nH]ncc2C=NNc2ccccc2)cc1 812370519 AEDZSSHWDXZSQW-UHFFFAOYSA-N 280.306 3.662 30 20 CHED Fc1ccc2c(c1)C(=NOC/C=C/Cl)CCS2 811671445 RRNAHGOUMBEGFT-IJUMTXSKSA-N 271.744 3.795 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)NCCc1cccc(C#N)c1 563865107 XHRMRSCKGSKIOJ-HNNXBMFYSA-N 298.430 3.823 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(C2=CCCC2)cc1 810623521 CZVXYYBSVGGAES-HNNXBMFYSA-N 255.317 3.713 30 20 CHED C=CCC(F)(F)C(=O)N1CCCSc2ccccc21 814893939 FJPZDXAWDGLKFO-UHFFFAOYSA-N 283.343 3.727 30 20 CHED CC(C)Oc1cccc(/C=C/c2ncccc2C#N)c1 486078787 VRCGAFDXZDLMFI-CMDGGOBGSA-N 264.328 3.911 30 20 CHED C#C[C@@H](/N=C\c1c(O)cccc1OC)c1ccc(Cl)cc1 811625815 WKWXBZFEXFAHQR-MXDDHBLUSA-N 299.757 3.848 30 20 CHED CCN(CCC#N)C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 488743431 AFPSDFDOVYOEQO-HUUCEWRRSA-N 284.403 3.738 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 813071824 FTPFMZCMDWNAOY-UTUOFQBUSA-N 276.405 3.879 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@@H](C(=O)O)C[C@@H]1C 814858848 IBXZAXAHUNHBPA-MELADBBJSA-N 282.428 3.812 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(O)c2ccsc2c1 817457097 LRIYIVVZVYDLHB-UHFFFAOYSA-N 289.400 3.939 30 20 CHED CCCCCc1ccc(C(CC)=NNc2cnnn2C)cc1 814981443 ILVXZHYAJNIZNE-UHFFFAOYSA-N 299.422 3.774 30 20 CHED CC(=NNCC1(C)CCCC1)[C@H](C)CCCCC(=O)O 814937834 QNQXLMAPVMRGTD-CYBMUJFWSA-N 282.428 3.813 30 20 CHED C=C(C)CN(C)C(=O)NCC(C)(C)C1CCCCC1 488029188 DLYQFNQOVFPCED-UHFFFAOYSA-N 266.429 3.810 30 20 CHED Cc1cc(COC(=O)C2(F)CCCCC2)ccc1C#N 811247858 NBDDVLFHVGFAHB-UHFFFAOYSA-N 275.323 3.582 30 20 CHED N#Cc1sc(NC(=O)CCC2CCCCC2)nc1Cl 813368812 DSEYBZFWPWRAQU-UHFFFAOYSA-N 297.811 3.967 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(-c2ncco2)c1 488803748 PGWZYBPSBHWHTO-UHFFFAOYSA-N 293.326 3.581 30 20 CHED C=CCCNCc1csc(-c2ccc(C)cc2)n1 657583018 UATRMORTWFYIMF-UHFFFAOYSA-N 258.390 3.784 30 20 CHED Cc1cccc(OCCN(C)Cc2ccc(C#N)c(F)c2)c1 483508659 AAOMJZSVGVLYHZ-UHFFFAOYSA-N 298.361 3.517 30 20 CHED CCC(C)(C)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813214517 ZAJZTXXFVNSMFQ-SNVBAGLBSA-N 284.281 3.713 30 20 CHED C=CCn1cccc1C(=O)N(Cc1ccccc1)CC(C)C 488975891 XJRNYYHQBLNXKZ-UHFFFAOYSA-N 296.414 3.973 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@H](CC1CCCCC1)C(C)(C)C 571606459 VVEHDYUDYSOIAC-CRAIPNDOSA-N 295.467 3.815 30 20 CHED C=CCC(F)(F)C(=O)Oc1cccc(Cl)c1F 816029180 XICLXIBBTQGZBN-UHFFFAOYSA-N 264.630 3.596 30 20 CHED Clc1cccc(C=NNC[C@H]2CCSC2)c1Cl 811659461 SSDUVESCVSJRCO-SECBINFHSA-N 289.231 3.670 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C)c1cc(C)c(C(=O)O)o1 659802589 ZTWZUYGRRMUKQL-RWMBFGLXSA-N 275.348 3.530 30 20 CHED COc1cccc(NN=Cc2ccccc2OC(C)C)c1 725852584 BBVBIZGXNGMGEY-UHFFFAOYSA-N 284.359 3.928 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@@H](N)C1)c1ccccc1 573235145 MAYBCYNEWZTZDA-ZACQAIPSSA-N 258.409 3.553 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)c(NC(=O)O)c1 825659901 KKXNHJXALGDGTD-UHFFFAOYSA-N 292.310 3.623 30 20 CHED CC(C)C1CCC(=NNc2nc(-c3ccncc3)no2)CC1 729638929 MUKDRPQSRNTQHA-UHFFFAOYSA-N 299.378 3.746 30 20 CHED C=CC(C)(C)C(=O)OCc1cc2nc(Cl)ccc2o1 821124112 RMSOKYWPZCVVPG-UHFFFAOYSA-N 279.723 3.737 30 20 CHED N#Cc1cccc(F)c1Cc1nc(CC2=CCCCC2)no1 571957708 DISBBSVADGUCTJ-UHFFFAOYSA-N 297.333 3.714 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@H](C)C1)c1ccccc1 490271809 NEZQTXMZJRBMFM-GOEBONIOSA-N 257.377 3.605 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccc(N)cc1 728432204 PCJHESZTPWAPGP-UHFFFAOYSA-N 276.343 3.653 30 20 CHED O=C(/C=C/c1ccc2oncc2c1)c1cccc([N+](=O)[O-])c1 821022153 PFYZISARKPOKLF-GQCTYLIASA-N 294.266 3.632 30 20 CHED Cc1sc(NC(=O)c2occ3c2CCC3)c(C#N)c1C 588815017 DLLVYTOJALAMQR-UHFFFAOYSA-N 286.356 3.571 30 20 CHED Cc1ncccc1C=NNc1cccc2c1CCCC2 728781298 QLSFAPPUGNVHFM-UHFFFAOYSA-N 265.360 3.715 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC(C)C)c1ccccc1 498885319 BSYDJLYAGKJAMH-HNNXBMFYSA-N 275.392 3.657 30 20 CHED Cc1ccc(-c2csc(NC(=O)C#CC(C)C)n2)s1 826894171 KEBMXNBHLPQILA-UHFFFAOYSA-N 290.413 3.778 30 20 CHED Cc1ccc(C#N)nc1NCc1coc(-c2cccs2)n1 589111236 UHHNZOIPNVZQOD-UHFFFAOYSA-N 296.355 3.590 30 20 CHED CC[C@@H]1C[C@H](C(=O)OCCCCC2(C#N)CCC2)CCO1 909153035 GOCXDNJEDGNYMP-HUUCEWRRSA-N 293.407 3.599 30 20 CHED CCn1cncc1/C=C1\CCc2ccc(Cl)cc2C1=O 901489496 KMJYVVAORSWPFD-KPKJPENVSA-N 286.762 3.769 30 20 CHED Oc1ccccc1/C=N/[C@@H]1C[C@@H]1c1c(F)cccc1F 734752570 GXKWHDXWPQGBOO-JXXLIYAASA-N 273.282 3.645 30 20 CHED C[C@H]1Cc2c(sc(NC(=O)C(C)(C)F)c2C#N)[C@H](C)C1 839389958 UXMZBCMPLZJPRH-RKDXNWHRSA-N 294.395 3.992 30 20 CHED CCc1ccc(CN(C)Cc2cc(C#N)ccc2F)cc1 585762644 WPVMEHQQOVTYAY-UHFFFAOYSA-N 282.362 3.892 30 20 CHED Cc1cc(Nc2ccc([C@@H]3CCOC3)cc2)c(C#N)cn1 584406854 RKEFLMYEGPUBFV-CQSZACIVSA-N 279.343 3.509 30 20 CHED CCCSCC(C)=NNc1cc(Cl)ccn1 901214481 BNHQRGMFECDFCN-UHFFFAOYSA-N 257.790 3.666 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1ccccc1OC(F)F 834995844 LXAONULTFNGUAQ-MRVPVSSYSA-N 296.239 3.552 30 20 CHED CSc1ccc(CCCC(=O)NCCCCC#N)cc1 583500681 AZBJLSQJJZNWSH-UHFFFAOYSA-N 290.432 3.541 30 20 CHED CC[C@@H]1CCCC(=NNc2nncc3ccccc23)C1 734977150 GABSGWJYOCFRGE-GFCCVEGCSA-N 268.364 3.998 30 20 CHED C=C(C)[C@H](CC(=O)OC[C@H]1CCCCC1(F)F)OCC 835638903 RFPSNOAWJXOPKC-OLZOCXBDSA-N 290.350 3.726 30 20 CHED N#Cc1ncccc1N[C@H]1CCC[C@H]1c1ccccc1 580373311 PTPFCYQHCHWDDF-GJZGRUSLSA-N 263.344 3.701 30 20 CHED CCc1cccc(C)c1NN=C(C)[C@@H]1C[C@H]2CC[C@H]1O2 834976025 GVGXWDQONKNWKW-OWCLPIDISA-N 272.392 3.913 30 20 CHED CC[C@@H](NCCc1cccc(C)n1)c1cccc(C#N)c1 902976395 QHDUSACHXIKFGU-GOSISDBHSA-N 279.387 3.545 30 20 CHED COC(=O)c1cccc(NN=C2CCCC23CCC3)c1F 835019048 LSUDWAXFHLWVQN-UHFFFAOYSA-N 290.338 3.734 30 20 CHED CO[C@H]1CCC[C@@H](C(=O)OCCCCC2(C#N)CCC2)C1 909343032 HFAVTGWDFRXFMO-CABCVRRESA-N 293.407 3.599 30 20 CHED CC(=NNc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1O2 834918706 GEJXYPGFNNPJFU-MGPQQGTHSA-N 264.756 3.695 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2ncc(Cl)n2C)CCCC1 835269229 KYDUSMPJSRFJOY-NSHDSACASA-N 296.798 3.814 30 20 CHED C=CC[C@H](NC(=O)c1cc(C)cc(C)c1)c1ccncc1 734235108 DSGOMXSCUAHHHC-KRWDZBQOSA-N 280.371 3.746 30 20 CHED N#CC[C@H](CC(=O)OCC1CC(F)(F)C1)c1ccccc1 835486679 CCACURUBHAGUHV-CQSZACIVSA-N 293.313 3.662 30 20 CHED Cc1cc(/C=C2\Cc3cc(O)ccc3C2=O)cc(C)c1O 588535182 SQQFRLNLPOGZKB-VGOFMYFVSA-N 280.323 3.537 30 20 CHED N#C[C@H](OC(=O)c1cccc2ccncc12)C1CCCCC1 830109080 DVMRVMIEZQNYEN-KRWDZBQOSA-N 294.354 3.864 30 20 CHED CCCN(C(=O)Nc1ccc(C#N)cc1Cl)C(C)C 583271911 TWWDKHRZZKDVCM-UHFFFAOYSA-N 279.771 3.864 30 20 CHED CCCCCCCCOC(=O)c1cc(OC)ccn1 734912176 RVVZOZWZSQVYFI-UHFFFAOYSA-N 265.353 3.608 30 20 CHED C#CCOc1ccc([C@H](C)NCc2cnc(C)cc2C)cc1 834902368 HJLWEVWPRWRIRT-INIZCTEOSA-N 294.398 3.561 30 20 CHED C[C@H](NCCCC#N)c1ccc(F)cc1C(F)(F)F 599046210 VVDYOUABYLXEST-VIFPVBQESA-N 274.261 3.799 30 20 CHED C=CC(C)(C)COC(=O)/C=C/c1ccc(Cl)nc1 835723454 XIJQCGXJVTZAJC-SOFGYWHQSA-N 265.740 3.504 30 20 CHED CCc1ccccc1NN=Cc1ccc(OC)c(OC)c1 915051887 XLBHVRBCNXYFNM-UHFFFAOYSA-N 284.359 3.712 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1ccccc1Cl)CC1CC1 593698795 SSCMATJAZFHMAW-CYBMUJFWSA-N 290.794 3.628 30 20 CHED C[C@]1(C=NNc2cccc(F)n2)C[C@@H]1c1ccccc1 841638709 XHJBCLPJPNYXRL-CZUORRHYSA-N 269.323 3.812 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H](C)CCC(C)(C)C)n1 598855912 AKQCZCWIROIXKU-NSHDSACASA-N 287.407 3.971 30 20 CHED CCCCCCCC(C)=NNc1nccc(OC)n1 914696907 UQTXCVSPWSOMHX-UHFFFAOYSA-N 264.373 3.634 30 20 CHED O=C(/C=C/c1cccc(OC2CCCC2)c1)c1ncccn1 840722726 NRTACMFSKGFBMW-MDZDMXLPSA-N 294.354 3.694 30 20 CHED C=CCCC[C@@H](C)OC(=O)CCc1scnc1C 840605276 NTXKPVIEVIMQMX-LLVKDONJSA-N 267.394 3.672 30 20 CHED C=CCCCOC(=O)[C@@H]1CCSc2ccccc21 745425481 SKRZFYHZCJUOKG-CYBMUJFWSA-N 262.374 3.775 30 20 CHED C=CCN(CCc1ccccc1)C[C@@H]1CC1(Cl)Cl 744739345 VVJNLORHRSFSLR-AWEZNQCLSA-N 284.230 3.911 30 20 CHED C=CC1CCN(C(=O)NCC(CC)(CC)SC)CC1 743697734 HSDNRIQSNMBSGH-UHFFFAOYSA-N 284.469 3.516 30 20 CHED C#C[C@H](CCC)/N=C(/Nc1ccccc1)N1CCCCC1 849093274 VSBWPBXADDALPU-MRXNPFEDSA-N 283.419 3.742 30 20 CHED CC1(C#N)CCC(NCCCCC(=O)OC(C)(C)C)CC1 590647528 LPLSNBIJSCQVEX-UHFFFAOYSA-N 294.439 3.560 30 20 CHED CCCCCCC[C@H](C)NCC(C)(C)C1(O)CCOCC1 841891155 VECANAQGWKOXNI-INIZCTEOSA-N 299.499 3.893 30 20 CHED C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCc2ccc(Cl)cc21 593066728 PNCXYQAJTBMQEC-XJKCOSOUSA-N 288.822 3.994 30 20 CHED CN(CC(C)(C)C#N)C(=S)Nc1cccc(Cl)c1 840748584 DYXXCVYNEOPBFE-UHFFFAOYSA-N 281.812 3.518 30 20 CHED Cc1ccoc1CC(=O)OCc1ccccc1C(C)(C)C#N 849870195 RZAJYTNBBQDKGB-UHFFFAOYSA-N 297.354 3.675 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(O)c(OC)c1 743449185 PPJPORLHXPXLHH-CYBMUJFWSA-N 278.396 3.683 30 20 CHED C=C1CCN(C(=O)Cc2c(C)nc3ccccc3c2C)CC1 591062791 ARRWJIIJRVPGOG-UHFFFAOYSA-N 294.398 3.573 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C1CCCCC1)C1CCC1 592696986 JOGGNNCSSOFAMJ-RDJZCZTQSA-N 276.424 3.791 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 594097229 MOEOQJRISVYOFS-GXSJLCMTSA-N 299.201 3.857 30 20 CHED CCOc1cc(C=NNc2ccc(F)cc2)ccc1OC 916268287 WIYOQQWILTZSTA-UHFFFAOYSA-N 288.322 3.679 30 20 CHED Cc1cccc(O)c1NC(=O)CC1(C#N)CCCCC1 597466389 MCJIIWKJBHLQCT-UHFFFAOYSA-N 272.348 3.503 30 20 CHED C#C[C@H](C)OC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 744178437 SIVQDKFAJQSVIS-LBPRGKRZSA-N 299.395 3.534 30 20 CHED CC[C@@H](CC#N)NCc1ccc(N2CCCCC2)c(C)c1 846980853 JMCUOLJKIRLELI-KRWDZBQOSA-N 285.435 3.767 30 20 CHED CC(C)=CCOc1cccc(C(=O)OCC2(CC#N)CC2)c1 744277124 UTMSUBCPTVWLED-UHFFFAOYSA-N 299.370 3.882 30 20 CHED C=C(Br)CN(CCC)Cc1ccc(F)cc1 746652410 MDMYHBWMSHLLQO-UHFFFAOYSA-N 286.188 3.946 30 20 CHED Cc1ccc2c(C=NNc3ccc(C#N)cc3)c[nH]c2c1 917548088 JTYHPEZLNSLQPW-UHFFFAOYSA-N 274.327 3.794 30 20 CHED C/C(=C/C(=O)N[C@](C)(C#N)CC(C)C)c1ccc(F)cc1 749615274 MDGQPPGZQSSRTK-GQPJMJRUSA-N 288.366 3.674 30 20 CHED N#Cc1cccc(-c2cccc(CO[C@H]3CCOC3)c2)c1 592989807 ZXQHUAKAVATLAI-SFHVURJKSA-N 279.339 3.531 30 20 CHED C#CCCCN[C@H](C)c1csc(-c2ccccc2)n1 840725426 AWSDEICPDJSXOH-CYBMUJFWSA-N 270.401 3.874 30 20 CHED C[C@H](N)c1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 595253479 ORWNYRCERDKJEN-ZDUSSCGKSA-N 285.391 3.509 30 20 CHED C#Cc1ccc(C(=O)OCc2ccc3ccccc3c2)cn1 740246162 XMOLFZLKCUDMPF-UHFFFAOYSA-N 287.318 3.573 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cscn1 847744147 NRIWMLXAIHAKPZ-NTZNESFSSA-N 265.378 3.681 30 20 CHED N#Cc1csc(C=NNc2ccc(Cl)c(F)c2)c1 748078710 DAIUWUKSLPROQF-UHFFFAOYSA-N 279.727 3.858 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(C(C)(C)O)cc1 842211032 IXKANZNVTQXLIY-UHFFFAOYSA-N 280.371 3.706 30 20 CHED COc1ccsc1C(=O)OCCC1(C#N)CCCCC1 840226618 SSWCYQKMIHWYLT-UHFFFAOYSA-N 293.388 3.778 30 20 CHED C=C(Cl)COC(=O)c1ncoc1-c1ccc(C)cc1 745357987 ACKRXJZXDAJNRF-UHFFFAOYSA-N 277.707 3.559 30 20 CHED COc1cncc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)c1 849245917 CJHGCSVTZIHSOU-MBBOSUJBSA-N 291.350 3.790 30 20 CHED Cc1cc(C#N)ccc1N1CC[C@H](C(F)(F)F)[C@@H]1C 846756372 XRAZDJARUKMTFK-JQWIXIFHSA-N 268.282 3.644 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1c2ccccc2CC[C@H]1C 684774195 SYLZCFBSLGVJLU-JZGRTCEGSA-N 285.431 3.881 30 20 CHED CC(C)(C)CC=Nn1c(S)nnc1-c1ccccc1F 755545332 JPXVEFQFXZHYRZ-UHFFFAOYSA-N 292.383 3.643 30 20 CHED CSc1cccc(N=Cc2cccc(O)c2O)c1 920945937 KZGQBRFTXVYCTH-UHFFFAOYSA-N 259.330 3.570 30 20 CHED C[C@H](OC(=O)CSCC#N)c1cccc2ccccc12 920519935 HECNJLCZYOHNKA-LBPRGKRZSA-N 285.368 3.701 30 20 CHED COCCC(=NNc1ccccc1Cl)C(C)C 756816327 UDZFJSVWVXDZBP-UHFFFAOYSA-N 254.761 3.800 30 20 CHED C#C[C@@H](CC)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 754365895 CHBMUBGQPPRPPJ-HNNXBMFYSA-N 289.806 3.680 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(N(C)C(C)=O)cc1 858497675 YRPWMMJGJPDRBV-KRWDZBQOSA-N 288.435 3.894 30 20 CHED CC(C)n1ccn(CN(C)c2ccccc2C#N)c1=S 754757902 FXPIEMVQDGMNMB-UHFFFAOYSA-N 286.404 3.566 30 20 CHED C=CCN(C(=O)Nc1cc(OC)ccc1Cl)C(C)C 920783708 PLIJLTXTYGLUSO-UHFFFAOYSA-N 282.771 3.777 30 20 CHED CC1(C)C[C@@H]1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 752495477 KIYGGJTXPUROME-VHSXEESVSA-N 288.347 3.658 30 20 CHED CCCCCCCCC(=O)Nc1c(C)cnn1CC 855751769 FNCURXDRZBZSGV-UHFFFAOYSA-N 265.401 3.901 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc(CC(=O)O)cc1 750905532 MKLVIJAWONLQEV-VQHVLOKHSA-N 298.313 3.657 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccsc1Cl 853933307 CXLKKXCYHZIILJ-UHFFFAOYSA-N 271.769 3.888 30 20 CHED C[C@H]1CCCCN1N=Cc1cn(CCC#N)c2ccccc12 853380537 XDRMCOFYBJCDTD-HNNXBMFYSA-N 294.402 3.763 30 20 CHED CCOc1ccc(/C=N\C[C@@H]2CC=CCC2)c(O)c1 920990842 GAHBMSJTDDMYGA-KAECEXQPSA-N 259.349 3.566 30 20 CHED FC(F)(F)Oc1cccc(CC=NOCC2CC2)c1 853348814 MPZYINQHUFWZNF-UHFFFAOYSA-N 273.254 3.540 30 20 CHED CCCCc1nnc(S)n1N=C[C@@H]1CCCC(C)(C)C1 752721953 JHVGQAMBMUMOPC-GFCCVEGCSA-N 294.468 3.960 30 20 CHED C#CCCCCNC(=O)Nc1ccc2oc(C(C)C)nc2c1 758612276 XYQKOYFVZOCEPQ-UHFFFAOYSA-N 299.374 3.876 30 20 CHED N#Cc1cccc(C=NOc2ccccc2C(F)(F)F)c1 754723925 LLVQBKGRNVUMOJ-UHFFFAOYSA-N 290.244 3.990 30 20 CHED Fc1cc(F)cc(C=NNc2cccc(F)c2)c1 755663080 SYNJPXVICYNPGB-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CCCCCCCNC(=O)NCc1cc(C(C)C)no1 858111438 GOJUOMFLEWJJMX-UHFFFAOYSA-N 281.400 3.568 30 20 CHED CCCn1nc(C)c(C=NNc2ccccc2CC)c1C 755643591 UMYJVDHHJSZWIN-UHFFFAOYSA-N 284.407 3.918 30 20 CHED C=CCCCCCCCNC(=O)Cc1cnccc1C 854500332 TXCNTHGQXDKSCQ-UHFFFAOYSA-N 274.408 3.575 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCc1cccs1 851213538 RDLDFWYJXYSIAO-LLVKDONJSA-N 265.378 3.552 30 20 CHED CCCCCCCCCCNC(=O)c1ccnnc1C 753114811 NRQYNTIVKOKKJN-UHFFFAOYSA-N 277.412 3.656 30 20 CHED C=C[C@@H](CC)CC(=O)NC1CCN(C2CCCCC2)CC1 934021237 LSFWTOUGFZLIAS-HNNXBMFYSA-N 292.467 3.502 30 20 CHED CC(=NNc1ccc(Cl)cc1)C1CCOCC1 755874377 OCDMLRPZKZOCGL-UHFFFAOYSA-N 252.745 3.554 30 20 CHED C=C[C@H](OC(=O)[C@H](OC)[C@H](C)CC)c1ccccc1 851451387 GXBJQPSARRMFSY-VHDGCEQUSA-N 262.349 3.518 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)/C=C/SC 751565082 YASRQJFZNSHUFM-OCHBPSSRSA-N 257.443 3.976 30 20 CHED C[C@@H](CCc1ccc(F)cc1)C(=O)OCCCCC#N 869863896 YQXXSOLKOQLNQI-ZDUSSCGKSA-N 277.339 3.631 30 20 CHED Cc1oc2ccccc2c1CC(=O)OCC1(CC#N)CC1 767990773 MOZRZBSTSBVFAN-UHFFFAOYSA-N 283.327 3.521 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](c1ccccc1)c1cccnc1 931891799 VQULJMCGDNFFKA-BEFAXECRSA-N 294.398 3.890 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc3ncccc3c2)c1 767367157 OWAGGMLRUCUZPO-FNORWQNLSA-N 274.323 3.834 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(C#N)s1 769839166 ATSQWMVFYHZCOW-UHFFFAOYSA-N 259.309 3.513 30 20 CHED NC(=NO[C@H]1CCCc2ccc(F)cc21)c1cccs1 760173747 LCISCCCSPLXFSF-ZDUSSCGKSA-N 290.363 3.602 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1sccc1O 769781050 CLMLQBGLBCWKBJ-UHFFFAOYSA-N 298.314 3.891 30 20 CHED C#CCCCC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 767142002 QFIGMWANLPJXJU-SFHVURJKSA-N 289.378 3.969 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1(c2ccccc2)CC1 768370051 TWBPMPPPPVIGPH-UHFFFAOYSA-N 285.387 3.981 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNCCc2ccccc2F)o1 764724297 VGJDAPFAVUVJCN-WFASDCNBSA-N 286.350 3.708 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(F)cc1OCC#N 761771523 ASGIVSJEQGEVFB-LLVKDONJSA-N 292.354 3.739 30 20 CHED C#CCCCN1CCCCC[C@H]1C[C@@H](O)c1cccs1 766906560 RMGHNOCQXKJJIM-JKSUJKDBSA-N 291.460 3.830 30 20 CHED C#CCCc1noc(/C=C\c2cnc(C(C)(C)C)s2)n1 762010139 DVPZUPNSOYUTGX-HJWRWDBZSA-N 287.388 3.560 30 20 CHED Cc1cccc(-c2ccn(CC3(C#N)CCC3)n2)c1 871790234 GHEKXGKWTFSKFM-UHFFFAOYSA-N 251.333 3.552 30 20 CHED N#CCC1(CSCc2cnc3ccccc3n2)CC1 1118600722 NJRRSGBAEVRQEB-UHFFFAOYSA-N 269.373 3.557 30 20 CHED N#Cc1cccc(-c2nnc(-c3ccc(F)cc3F)o2)c1 1117231329 OFPSLDCIBOILJX-UHFFFAOYSA-N 283.237 3.553 30 20 CHED CC[C@@H](C)CC(=O)N(C)c1ccc(C#N)c(Cl)c1 876168019 DNSJPMFYVUVRHI-SNVBAGLBSA-N 264.756 3.611 30 20 CHED Cc1ccc(CON=C(N)c2cccs2)c(Cl)c1 774804935 ZWRGKXPORGCIIG-UHFFFAOYSA-N 280.780 3.547 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CCO[C@H](C)C1 776422238 XXGMXOMCQCBJIO-ZIAGYGMSSA-N 256.386 3.705 30 20 CHED C/C(=C/C(=O)OCC1(C#N)CC1)c1ccccc1Cl 775855517 QYQPSGKNDQUBJX-FLIBITNWSA-N 275.735 3.590 30 20 CHED Cc1ccc(F)cc1/C=C1\Cc2c(O)cccc2C1=O 777915680 PMIPCVKEYQOXIL-KPKJPENVSA-N 268.287 3.662 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)C1CCOCC1 777448481 PFQHKODOUZBANK-SFHVURJKSA-N 288.435 3.646 30 20 CHED C=CC[C@@H](NC(=O)C1=CCCCCC1)c1ccncc1 772998917 YKGCZLGPTQCZON-MRXNPFEDSA-N 270.376 3.706 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1cccc(F)c1C#N 777742307 JDTIZVLHMTZNII-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C=CCC[C@H](C(=O)OCC(=O)CCC)c1ccccc1 778553176 SRWTUEAUOMHXHZ-INIZCTEOSA-N 274.360 3.649 30 20 CHED C=CCCc1nnc(CSc2ccc(C)cc2)o1 1117204169 FAYZSNOGMHUGLY-UHFFFAOYSA-N 260.362 3.789 30 20 CHED C(=NOC1CCCCC1)c1ccc(-n2cccn2)cc1 777458697 KGRXUKHQHAKHMA-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C#CCOc1ccc(CNc2ccc(F)c(F)c2)cc1 776253649 ZIWTYOLTOGDFCO-UHFFFAOYSA-N 273.282 3.589 30 20 CHED C#C[C@H](C)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 775384208 BQTOSKCJPVWDQL-ZDUSSCGKSA-N 289.806 3.680 30 20 CHED Clc1ccc(Cl)c(C=NOC2CCOCC2)c1 774450123 APAQEVDJJHFDNJ-UHFFFAOYSA-N 274.147 3.523 30 20 CHED C[C@H](CCc1ccccc1F)C(=O)OCCC(C)(C)C#N 776391065 JWCZOENTSGPTKK-CYBMUJFWSA-N 291.366 3.877 30 20 CHED CC[C@@H]1CCN(c2c(Br)cccc2C#N)[C@@H]1C 1458334736 YGJKNCSYMYAJMP-GHMZBOCLSA-N 293.208 3.946 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccccc1OC(F)(F)F 773004342 KKOUMQNBRYPKLG-VIFPVBQESA-N 279.689 3.988 30 20 CHED CSCCCCCCNc1ccc(Cl)c(C#N)n1 784175660 WSIIOJZGFJBTFT-UHFFFAOYSA-N 283.828 3.942 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N2CCC[C@@](C)(C#N)C2)cc1C 784746612 MDBQNZGMELWWEE-RURPWVQCSA-N 296.414 3.777 30 20 CHED CCC(=NNc1ccc(OC)cn1)c1cc(F)ccc1F 780275898 HPSKPUWFSYAYOS-UHFFFAOYSA-N 291.301 3.595 30 20 CHED C=CCCOC(=O)c1cc(OC)c(C(C)C)c(OC)c1 781296549 QLZDOLTVFCVPDW-UHFFFAOYSA-N 278.348 3.560 30 20 CHED CCCN(CC(C)C)C(=O)Nc1cc(C#N)c(F)cc1F 880714897 CLQAVQPRMMXRTI-UHFFFAOYSA-N 295.333 3.736 30 20 CHED CCSc1ccc(C(C)=NNCCc2ccccn2)cc1 789127117 KHGARZPFESOMOZ-UHFFFAOYSA-N 299.443 3.750 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2nccc(C)n2)c1 889004176 TYVYJOSTVSPFHL-UHFFFAOYSA-N 295.386 3.993 30 20 CHED Clc1cncnc1NN=C1CCC[C@H]1c1ccccc1 780281942 ZPCRGTUURXDTMI-LBPRGKRZSA-N 286.766 3.866 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1nc(Cl)c(C#N)s1 888418143 ZLVHURMJNQOFCC-QMMMGPOBSA-N 298.799 3.534 30 20 CHED CC[C@H](CC#N)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 787089233 HJDSEJPHKWKPAT-CQSZACIVSA-N 297.358 3.543 30 20 CHED C=C1CCC(C(=O)Nc2ccc(COC)cc2)CC1 890266607 VIJUZXPBPHXMCT-UHFFFAOYSA-N 259.349 3.518 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2sccc2Cl)c1 782353412 BHKIUCFOWDGTFD-NSCUHMNNSA-N 296.731 3.677 30 20 CHED N#Cc1sc(N[C@H](c2ccncc2)C2CC2)nc1Cl 897424244 YVRSRGCMUKDQQE-NSHDSACASA-N 290.779 3.626 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1ccccc1F 899335671 HQCAEOGLLKEMGD-CMDGGOBGSA-N 270.307 3.643 30 20 CHED C=C1CCC(C(=O)N[C@H](C)CCCc2cccnc2)CC1 891516380 GMMJCMMRBPJOOC-OAHLLOKOSA-N 286.419 3.655 30 20 CHED CC(C)(C)OCCCCOC(=O)c1cccc(CC#N)c1 789032943 UHLUZQXDFZVCRU-UHFFFAOYSA-N 289.375 3.505 30 20 CHED CC(C)(C)CCCOC(=O)c1ccc(C#N)s1 781183342 QRAHELBOFXBQLD-UHFFFAOYSA-N 251.351 3.603 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 788690559 JZQARGHNCJKBDC-RYUDHWBXSA-N 277.368 3.572 30 20 CHED Cc1ccc(S(=O)(=O)CCCCC2(C#N)CCC2)s1 899501024 ISQOOIHRVFQXBO-UHFFFAOYSA-N 297.445 3.694 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NC(=O)c1csc(C#N)c1 1133739232 OADXJYAOCZONQF-MRXNPFEDSA-N 298.411 3.617 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1ccc(OCC)cc1 782408826 OEMONHZJLKLKPH-CQSZACIVSA-N 290.432 3.823 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2ccc(Cl)s2)n1 1131018163 DYMYBDIUPSTTNY-UHFFFAOYSA-N 291.763 3.537 30 20 CHED Cc1cc(F)ccc1C(=O)OCCCC(C)(C)C#N 784279409 MQIUWXVWWZMJLS-UHFFFAOYSA-N 263.312 3.621 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cn(CC)nc2C)c1 899351064 YKDLBFKSNGFWHF-MDZDMXLPSA-N 284.359 3.506 30 20 CHED O=C(/C=C/C=C/c1ccc(F)c(F)c1)c1ccncc1 794689825 FFEIEBUJIGMOBH-ZPUQHVIOSA-N 271.266 3.812 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(C)C 799047441 ZPNBUPXQDKOTOY-GXFFZTMASA-N 298.213 3.871 30 20 CHED O=C(/C=C\c1c(Cl)cccc1Cl)c1ccnc(O)c1 791431144 GKOSIOOBKRXWLC-PLNGDYQASA-N 294.137 3.990 30 20 CHED Cc1cc(C)cc(OC(=O)/C=C\c2ccccc2C#N)c1 799586263 HEVWZRRVMFHBEM-FPLPWBNLSA-N 277.323 3.794 30 20 CHED CC(=NNc1cccc(F)n1)c1cc(C)cc(C)c1 795009918 PCIRWQSMTQXLAE-UHFFFAOYSA-N 257.312 3.674 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 794692440 WLECNLNKAPGOLB-AATRIKPKSA-N 295.169 3.931 30 20 CHED COc1ccccc1CON=CCCc1ccccc1 799120579 XXTRRACEFHQKHD-UHFFFAOYSA-N 269.344 3.830 30 20 CHED CCCCCCCCCc1nc(-c2ccncn2)no1 799188756 ZPFXFIMKDBELPH-UHFFFAOYSA-N 274.368 3.820 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C2CC(C)(C)C2)n1 797094045 OOFQOFVZERGSRN-LLVKDONJSA-N 276.405 3.879 30 20 CHED C=C(C)CN(CC)Cc1coc(-c2cccc(F)c2)n1 45822824 NAVCARWEWBCDFU-UHFFFAOYSA-N 274.339 3.879 30 20 CHED CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@@H]1C(C)C 1308763496 RUQXAHOEPKYRMN-DOTOQJQBSA-N 274.383 3.810 30 20 CHED Cc1ccc(F)c(OCCc2ccc(C#N)cc2)c1 1165710926 WVLUQHFEAQPSNU-UHFFFAOYSA-N 255.292 3.627 30 20 CHED Cc1cccc(C)c1OC[C@H](C)Nc1ncc(C#N)cc1F 1162292335 MGRSKUGCGPCUEF-ZDUSSCGKSA-N 299.349 3.589 30 20 CHED N#CCc1ccc(CN(Cc2ccoc2)C2CC2)cc1 723744725 KDYSJYBLSMTLNH-UHFFFAOYSA-N 266.344 3.510 30 20 CHED CC1(C)CCCN(C(=O)c2cccc(Cl)c2F)[C@H]1C#N 277804954 GPLQPWWWAXULPZ-LBPRGKRZSA-N 294.757 3.633 30 20 CHED C#CCCCNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1321817038 JVNVXTGABQFFMC-UHFFFAOYSA-N 283.415 3.545 30 20 CHED C/C=C(/C=C/c1nnc(-c2cccc(C#N)c2)o1)CC 1327907423 PPHJHIXXEHFZFJ-FNAOXXECSA-N 265.316 3.978 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(C#N)cc1 594711419 NCBNEFBKZPMLAV-CYBMUJFWSA-N 260.406 3.518 30 20 CHED C=CCCCOc1ccc(Br)cc1C=O 70592635 PKGBTQYNSRJNFX-UHFFFAOYSA-N 269.138 3.607 30 20 CHED C#CCCN(Cc1ccc(Br)cc1)C(C)C 760816962 ASGILQRLECXWMD-UHFFFAOYSA-N 280.209 3.683 30 20 CHED COc1ccc([C@H](C)Nc2ccc(F)cc2C#N)cc1 90310509 IJSLLMICVKKDGG-NSHDSACASA-N 270.307 3.879 30 20 CHED C=C[C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1 1347091607 UJULRUAWEKJAFZ-AWEZNQCLSA-N 279.330 3.650 30 20 CHED C[C@]1(C(=O)O[C@H](CC#N)c2ccco2)CCc2ccccc21 1345546821 GNUZRJCETSZIGX-AEFFLSMTSA-N 295.338 3.682 30 20 CHED C=CCC1(C(=O)N2CCC(O)(C(C)C)CC2)CCCCC1 1348254769 TVGMLOWANODQAC-UHFFFAOYSA-N 293.451 3.523 30 20 CHED Cc1cccc(Cl)c1C(=O)N1CCc2ccc(C#N)cc21 1435784166 XGNZVJKFKRLWIW-UHFFFAOYSA-N 296.757 3.723 30 20 CHED COc1ccccc1COC(=O)CC1(C#N)CCCCC1 1350126148 OVMJHPAXQHSMRC-UHFFFAOYSA-N 287.359 3.603 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccc(C(C)=O)c1 164746028 SKMALGHMNPVXDD-UHFFFAOYSA-N 272.344 3.701 30 20 CHED CC(C)CCSCC(=O)O[C@H](CC#N)c1ccco1 1518000519 HFLZCUQCYTWXNB-CYBMUJFWSA-N 281.377 3.557 30 20 CHED Cc1nnc(N2C[C@@H](C(C)C)c3ccccc32)c(C#N)c1C 1458353852 FIAVNKRAYNSLTM-INIZCTEOSA-N 292.386 3.856 30 20 CHED C=C(CC)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 1521307878 DLFYQVNAXHFLGZ-UHFFFAOYSA-N 275.682 3.846 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@H]2CCSc3ccccc32)C1 1524712094 PVWGKUCUDDSSDO-DYEKYZERSA-N 287.384 3.501 30 20 CHED C=C(CC(C)C)C(=O)NC(C)(C)c1nc(C)c(C)s1 1521029987 WCAVGZUYECUOAZ-UHFFFAOYSA-N 280.437 3.714 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)c(F)cc1F)c1ccsc1 1535439283 GVSWUEJBNTXWEB-QMMMGPOBSA-N 292.310 3.640 30 20 CHED CC(C)(C(=O)Nc1cc(C#N)c(F)cc1F)C1CCCC1 1532512118 XLIDXCIHIQKUCC-UHFFFAOYSA-N 292.329 3.991 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1ccc(F)cc1C#N)CC2 1476231634 FTIFCWUJFXJZBP-UHFFFAOYSA-N 295.317 3.600 30 20 CHED N#Cc1cc(F)c(C(=O)N(c2ccccc2)C2CC2)c(F)c1 1544863279 UZRPCRJOURMPNB-UHFFFAOYSA-N 298.292 3.646 30 20 CHED CC1(C)CN(CCc2ccc(C#N)cc2)c2ccccc2O1 1616356522 IGESGDRXKLRNRV-UHFFFAOYSA-N 292.382 3.778 30 20 CHED Cc1oc(C=NNc2cccc(Cl)c2C)cc1C(=O)O 1610579382 BHWNDPSTVAYLLI-UHFFFAOYSA-N 292.722 3.694 30 20 CHED C=CC[C@H](CC)NC(=O)c1nc(Cl)sc1Cl 848033871 VOJZFSCTMSKUDC-LURJTMIESA-N 279.192 3.534 30 20 CHED N#Cc1cncc(Nc2ccc3nc(C4CC4)sc3c2)n1 1611874717 AVIDJUYLOMWBFG-UHFFFAOYSA-N 293.355 3.579 30 20 CHED Cc1ccccc1SC[C@H](C)CN1CC[C@@](F)(C#N)C1 1642732263 URNNBZNDSIJCTB-CZUORRHYSA-N 292.423 3.661 30 20 CHED Cc1cc(OCC(=O)CC(C)(C)C2CC2)ccc1C#N 1641098501 JGPOKONDGPPRGZ-UHFFFAOYSA-N 271.360 3.641 30 20 CHED CC(C)CCN(CCC#N)Cc1cccn1C(F)F 1658955983 OWKLQXFJSVCBFA-UHFFFAOYSA-N 269.339 3.645 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1CC1(CC#N)CC1 1652931151 AHVRANSKRATVPK-QWHCGFSZSA-N 272.367 3.827 30 20 CHED CC1(C)CC[C@H](CN2CCC(c3ccc(C#N)cc3)CC2)O1 1654932994 WOPLTROZHHDBOA-GOSISDBHSA-N 298.430 3.695 30 20 CHED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC(=O)O 1588886580 MYICKVMGVMFOHM-LBPRGKRZSA-N 289.375 3.588 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H]1CC(C)(C)C 1667620118 OOEUCUZBVJEMCA-DZGCQCFKSA-N 285.391 3.813 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1676376666 HEPLOGQDARNRBO-XBFCOCLRSA-N 286.847 3.747 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)c1 1672775955 VLSWQAWUPZODOH-TZMCWYRMSA-N 285.391 3.815 30 20 CHED Cc1cc2c(s1)C/C(=C/c1ccc(C)c(C(=O)O)c1)C2=O 1777428132 VPGBLVHEQRPKTH-SDQBBNPISA-N 298.363 3.886 30 20 CHED C[C@]1(C=NNc2ccc(C(=O)O)cc2)C[C@@H]1c1ccccc1 1776013244 PTRUAJDKDSAJHH-SJLPKXTDSA-N 294.354 3.976 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncc(Cl)s1 150916553 LDKUMADZMKFEEO-UHFFFAOYSA-N 256.758 3.503 30 20 CHED C=CC[C@@H](C)N[C@H]1CCc2cc(Br)ccc21 161673091 FVAOTUVLYNZMOU-YGRLFVJLSA-N 280.209 3.991 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(-c2nc(C)co2)c1 158514985 HJZOMKABYKEUHZ-UHFFFAOYSA-N 297.358 3.856 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(C#N)c1 158980074 AOMSUSRUFHQIRA-KGLIPLIRSA-N 282.368 3.670 30 20 CHED C=C[C@@H](CC(=O)Nc1nc(C)cs1)c1ccccc1 155630546 BQBDCKUESJGFTF-LBPRGKRZSA-N 272.373 3.750 30 20 CHED C[C@@H]1CSC(S[C@H](C)c2ccc(C#N)cc2)=N1 155379590 WJFAOMPADMMZNV-NXEZZACHSA-N 262.403 3.844 30 20 CHED C=C(C)CNC(=O)c1cc2c(ccc3ccccc32)[nH]1 154332239 IWLAOYURZKFDMR-UHFFFAOYSA-N 264.328 3.627 30 20 CHED CC1(C)C[C@H](c2ccc(C#N)cc2)C(=O)c2ccc(O)cc21 328578192 CPAAPSHDQDAHFP-MRXNPFEDSA-N 291.350 3.912 30 20 CHED Cc1cc(C#N)nc(-c2ccc(Cl)c(Cl)c2)n1 1222342615 KAAHWYVLORRVLM-UHFFFAOYSA-N 264.115 3.631 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@H]32)c(F)c1 217728241 PYTZUEYTHRZMAS-WMLDXEAASA-N 272.367 3.852 30 20 CHED CC(C)=CCNc1ccc(C#N)cc1Br 232639293 XDKCPNOSNMFFAY-UHFFFAOYSA-N 265.154 3.699 30 20 CHED N#C[C@H](NC(=O)CC1CCCCC1)C1CCCCC1 40360113 IYRFAFVUQCFWOI-HNNXBMFYSA-N 262.397 3.545 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1C 49490016 QMMVLUKDFWZDDW-UHFFFAOYSA-N 264.328 3.736 30 20 CHED N#Cc1cc(Br)ccc1N1CC[C@@H](C2CC2)C1 400143569 ZUPASCSBILDPCQ-LLVKDONJSA-N 291.192 3.557 30 20 CHED CC[C@@H]1CC[C@H](C)N1c1nc(C)c(C#N)cc1Cl 311118618 ODXUQBVVNOERGK-JOYOIKCWSA-N 263.772 3.682 30 20 CHED N#Cc1cnc(Sc2ccccc2F)c(Cl)c1 513646077 SSWBNUPNNOPZDW-UHFFFAOYSA-N 264.712 3.897 30 20 CHED N#Cc1ccc(NCc2noc3c2CCCC3)c(Cl)c1 610856879 CCNQDHLJENULKQ-UHFFFAOYSA-N 287.750 3.691 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 424534004 DAWVSEARPFARGW-DOMZBBRYSA-N 256.349 3.517 30 20 CHED C=CC[C@H](C)NC1CCC(CNC(=O)OC(C)(C)C)CC1 496457032 IDECHPIALJMNSP-NFOMZHRRSA-N 296.455 3.624 30 20 CHED C=C(C)CCN[C@H](C)c1ccccc1OC(F)F 386744411 FBFDYNNKOGKNRV-LLVKDONJSA-N 255.308 3.905 30 20 CHED CCCC[C@H](CC)C(=O)Nc1cc(F)cc(C#N)c1 720262398 VODIDQOUSOGNDF-LBPRGKRZSA-N 262.328 3.852 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H]1CC(C)C 396883393 TVVRGOWCBOAMFI-INIZCTEOSA-N 272.392 3.577 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2F)c2ccccc21 398509463 PTUDHOKLRDLNNJ-LBPRGKRZSA-N 266.319 3.821 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1ccc(CC#N)cc1 399224538 MBHAYWMAHMEBOK-HNNXBMFYSA-N 264.372 3.946 30 20 CHED Cc1ccc(CN2CCC(CCC#N)CC2)cc1C 399431468 YYYHCRSAEDJEAM-UHFFFAOYSA-N 256.393 3.819 30 20 CHED CC(=NNCc1ccccc1)[C@@H](C)c1ccccc1 746369348 WWTFOOAMJFQVDU-CQSZACIVSA-N 252.361 3.956 30 20 CHED Cc1cc(/C=C/C(=O)c2ccccc2)cc(C)c1O 7717842 JUQQCXDIMXXQBS-CMDGGOBGSA-N 252.313 3.905 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccccc1 20085301 GMRULPMKBRYYPB-HNNXBMFYSA-N 265.356 3.549 30 20 CHED CN(c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCc2ccccc21 29147834 GQHZVVVERCBJIM-QGZVFWFLSA-N 293.326 3.590 30 20 CHED C=CCOc1ccc(C(=O)NCc2ccc(C)c(F)c2)cc1 30574440 PWDRSUZKCFOXJV-UHFFFAOYSA-N 299.345 3.629 30 20 CHED N#Cc1ccc(OCCSc2ccc(F)cc2)cc1 34651310 FUTINVURGLWALR-UHFFFAOYSA-N 273.332 3.868 30 20 CHED N#Cc1ccc(NCc2ccc(N3CCCC3)cc2)cc1 35255709 SGTIIXRAGWXRJN-UHFFFAOYSA-N 277.371 3.771 30 20 CHED Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)o1 37280825 IAXYKPUXZFMWKQ-QWHCGFSZSA-N 254.333 3.872 30 20 CHED C[C@@H](NC(=O)Nc1cccc(F)c1)c1ccc(C#N)cc1 43154954 VWWUGBZDVWDWOV-LLVKDONJSA-N 283.306 3.580 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C2CCCCC2)cc1 49882566 YPRIOHBLYPKVOF-QGZVFWFLSA-N 284.403 3.852 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1cccc(C#N)c1 52039145 FIVKQLBOIJTWMU-UHFFFAOYSA-N 280.371 3.589 30 20 CHED N#Cc1ccc(CSCC(=O)OCc2ccccc2)cc1 58237891 UTWOMKVPLVHGQE-UHFFFAOYSA-N 297.379 3.535 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1 59269404 VFMGLJINBKOSKL-RUDMXATFSA-N 274.266 3.870 30 20 CHED N#Cc1c(F)cccc1OCCCOc1ccccc1 62665795 JLGCYYLIPDEITN-UHFFFAOYSA-N 271.291 3.545 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(C)cc2)c1C 65722814 HCUPCBBIGOWIMC-ZHACJKMWSA-N 268.360 3.724 30 20 CHED C=CCOc1cccc(NC(=O)Nc2nc(C)c(C)o2)c1 65821299 GLKBIRSTDRNOFT-UHFFFAOYSA-N 287.319 3.500 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)CC 73445253 CVFSNEFLAQQXKR-VIFPVBQESA-N 281.739 3.562 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1scnc1C 78693288 APZNMKSSACFVGF-FNORWQNLSA-N 273.357 3.665 30 20 CHED Cc1ccccc1NC(=O)[C@H](C)Sc1ccc(C#N)cc1 79647968 GPLSIKLQRJELGZ-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED C=C(CC)CNCc1ccc(Br)s1 85057661 DBMRQGSEPVNSOW-UHFFFAOYSA-N 260.200 3.566 30 20 CHED N#CC1(c2ccccc2)CC(NCCc2cccs2)C1 86036122 MHFYSRFKXPGVRX-UHFFFAOYSA-N 282.412 3.504 30 20 CHED C[C@H](Cc1cccs1)NC1CC(C#N)(c2ccccc2)C1 86036990 HNPLHTSPICLTBG-MXWWQKGMSA-N 296.439 3.893 30 20 CHED N#CCCN(Cc1cccc(-c2ccncc2)c1)CC1CC1 93091449 PAWWDSZQNBNIKA-UHFFFAOYSA-N 291.398 3.874 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1F 119709063 ICYTUSYGGLZOMR-UHFFFAOYSA-N 299.345 3.663 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccc(CC(F)(F)F)cc1 120549922 OPRLYWBXAJFBNA-SNVBAGLBSA-N 299.296 3.557 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)cc1F 120960017 AYMVOLMZHVRRER-UHFFFAOYSA-N 251.276 3.672 30 20 CHED CCCCCCC(=O)[C@H](C#N)c1nc2ccccc2n1C 123438399 DWUPIRZGYVBWCM-ZDUSSCGKSA-N 283.375 3.720 30 20 CHED C=C[C@H](CC(=O)NCCc1cccs1)c1ccccc1 123489261 AOYJDPKJLNNGOD-CQSZACIVSA-N 285.412 3.767 30 20 CHED CCN(CCC#N)Cc1cnc(-c2ccc(C)cc2)s1 127684150 PCAZJKLTSSAWOH-UHFFFAOYSA-N 285.416 3.854 30 20 CHED C#CCCCC/N=C(\N)Nc1ccc([C@H](C)CC)cc1 129160194 USBUKSODLGAJHL-CQSZACIVSA-N 271.408 3.730 30 20 CHED C=CCCC1=NN=C(Nc2ccc(N(C)C)cc2)SC1 134438486 INGVSGGOXOZUIB-UHFFFAOYSA-N 288.420 3.590 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1ccccc1 135688405 QGNWEOJFXZUKTC-HNNXBMFYSA-N 256.374 3.861 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 154354128 RWJMIRHOWVUVSC-OLZOCXBDSA-N 299.374 3.666 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1coc2ccccc12 159037767 WWVYDCVPGZYKLC-CMDGGOBGSA-N 288.306 3.977 30 20 CHED C=CCN(C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 161539770 NATPFOXDBMBPFZ-SJORKVTESA-N 265.356 3.588 30 20 CHED C=CCN(C(=O)c1cnc(Cl)c(Cl)c1)C(C)(C)C 165233961 CQHVFHPFLAQUQB-UHFFFAOYSA-N 287.190 3.815 30 20 CHED CC(C)CCOC1CCN(c2ccc(C#N)cc2F)CC1 170639688 DLCNEHUWKLPJAZ-UHFFFAOYSA-N 290.382 3.729 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C2 170985770 FBJMJZOYGAHHDH-RIYZIHGNSA-N 279.295 3.726 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2scnc2c1 171372496 QHQSAJPQGODMHB-UHFFFAOYSA-N 273.361 3.502 30 20 CHED CC(C)[C@@H](CC(=O)OCCCC#N)c1ccccc1 171494651 CXZBZIUPGHCTBU-OAHLLOKOSA-N 259.349 3.663 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCCCC#N 172425676 QEEFKOUWNMJXCE-LLVKDONJSA-N 299.292 3.731 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 173537368 APPUEQXHXGOCML-LBPRGKRZSA-N 257.333 3.744 30 20 CHED N#Cc1ccc(CNCC2(c3ccc(F)cc3)CCC2)o1 174327097 DORWLHFNZTWECM-UHFFFAOYSA-N 284.334 3.502 30 20 CHED C#CCCCNCc1cc(Cl)cc(Cl)c1OC 174611800 WNZPKPYMIBOZDL-UHFFFAOYSA-N 272.175 3.505 30 20 CHED CC(C)CCOC1CCN(CCCC(C)(C)C#N)CC1 174821947 QHMXNBVUQYMECT-UHFFFAOYSA-N 280.456 3.843 30 20 CHED CC(C)(C#N)CCCN1CCC(OC2CCCC2)CC1 174838125 FQOGJJIFFDQZDB-UHFFFAOYSA-N 278.440 3.740 30 20 CHED CCO[C@@H]1C[C@@H](NCC(C)(C)CCC#N)C1(CC)CC 175037252 QUIJOZVOFHNABP-HUUCEWRRSA-N 280.456 3.890 30 20 CHED N#CCCCCNCc1ccc(Cl)c2cccnc12 177766552 JJLXUSLFPCHDJQ-UHFFFAOYSA-N 273.767 3.672 30 20 CHED CC1CCC(N(C[C@@H](O)c2ccc(C#N)cc2)C2CC2)CC1 178301422 CJWUERFISBWBFB-ITXXBFQVSA-N 298.430 3.635 30 20 CHED C=CCCCC(=O)O[C@@H](c1ccccn1)C(F)(F)F 178801639 VNSABKYUJTYDHB-LBPRGKRZSA-N 273.254 3.585 30 20 CHED CC[C@@H](C#N)NC(=O)C1(c2ccccc2C)CCCCC1 179241693 WIBOLJVTEDAVMN-HNNXBMFYSA-N 284.403 3.615 30 20 CHED Cc1cc2cc(/C=C/C(=O)c3cnn(C)c3C)oc2cc1C 179858682 LVDDKEVRDSPSEW-AATRIKPKSA-N 294.354 3.988 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)C1CCCC1 181114739 FVMHKVLKFKSIJR-ZDUSSCGKSA-N 252.402 3.705 30 20 CHED COc1cccc2cc([C@H](C)NCCCCC#N)oc12 181684263 GHIMHMUHKQRMFI-LBPRGKRZSA-N 272.348 3.786 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](C)CCCOC)c1ccccc1 183385734 RKUXIUXJZXNTRN-NVXWUHKLSA-N 289.419 3.873 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)N[C@H](CC)CC#N 183943175 VSNKLWXCKXACED-GFCCVEGCSA-N 294.782 3.551 30 20 CHED C=CCOCCCC(=O)Nc1ccc2occ(C)c2c1 185786052 PKEPKZKTRUSDFD-UHFFFAOYSA-N 273.332 3.663 30 20 CHED Cc1nn(-c2ccccc2)cc1N[C@@H]1CCC[C@@H](C#N)C1 185895397 JSDCHMSXINFEDF-HUUCEWRRSA-N 280.375 3.675 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)CSc2ccccc21 186386582 NLAVCJHTPJZMOR-XFFZJAGNSA-N 271.316 3.593 30 20 CHED CC(C)(C#N)C(=O)NC1CCC2(CCCCC2)CC1 188338069 KRGTUCPDFNCZPL-UHFFFAOYSA-N 262.397 3.545 30 20 CHED CC(C)(C)OC(=O)Nc1ccc(OCCC#N)c(Cl)c1 190697331 FBSYAXCEWADTEE-UHFFFAOYSA-N 296.754 3.979 30 20 CHED C#CCCCC(=O)NC(c1ccccc1)c1ccccc1 192050161 OEBJLJAZZULUQJ-UHFFFAOYSA-N 277.367 3.696 30 20 CHED C=CCN(CC=C)C(=O)C1(Cc2ccccc2)CCC1 193123353 JCZDGQFJEAVZGI-UHFFFAOYSA-N 269.388 3.600 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2cccc(F)c2)c1 208568012 WMUXSFLOLZVWFQ-FPLPWBNLSA-N 251.260 3.593 30 20 CHED Cc1ccc(-c2noc(-c3ccc(C#N)s3)n2)cc1 226760729 GDWZWZJPNCSPKY-UHFFFAOYSA-N 267.313 3.645 30 20 CHED Cc1ccc(F)cc1-c1noc(-c2cccc(C#N)c2)n1 230996868 TUOVNSZOXKUBFC-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CC[C@](C)(C#N)C(=O)NCCCCCCC(C)C 234085125 SMDNNQMZGKPKBO-OAHLLOKOSA-N 252.402 3.649 30 20 CHED Cc1csc(C(=O)N[C@H](C#N)C2CCCCC2)c1Cl 235963687 VMWAKTHRCAGSAM-LLVKDONJSA-N 296.823 3.912 30 20 CHED CC(=NNc1ccccc1Br)c1ccco1 254394670 JKMDKLZWNURBAP-UHFFFAOYSA-N 279.137 3.878 30 20 CHED C/C=C\c1ccc(OC[C@H](C#N)CCC#N)c(OC)c1 255089230 HWINUTCTPHLVPM-MFBWXBCUSA-N 270.332 3.551 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C(C)C)oc2ccc(Cl)cc12 264661802 VTHUTMMEZSDSMC-LBPRGKRZSA-N 290.750 3.673 30 20 CHED C[C@H](O)C[C@H](CNc1cccc(F)c1C#N)c1ccccc1 268269806 NIVXKTQBFZFWPV-DZGCQCFKSA-N 298.361 3.664 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(Cl)c1OC)OCC 270007070 AGLUWLWCVSPTHG-ZDUSSCGKSA-N 297.782 3.658 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)cc1C)OCC 270030208 DJEJVZHMJRGCHN-CQSZACIVSA-N 281.783 3.958 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](C)c1sc(C(C)C)nc1C 270350988 PUYWPUKTAIORRL-ZIAGYGMSSA-N 296.480 3.895 30 20 CHED C=C1CCN(C(=O)c2ccnc(SC(C)(C)C)c2)CC1 272226604 HGXXNHZYAZJADH-UHFFFAOYSA-N 290.432 3.764 30 20 CHED C=C(C)[C@H](Cc1nc([C@H](C)c2cccs2)no1)OCC 273849881 KEDXJUJWFOGEMU-NEPJUHHUSA-N 292.404 3.807 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C(C)(C)C 274388447 ZYUMCCIUVBJYMH-HDMKZQKVSA-N 284.403 3.543 30 20 CHED C#CCOc1ccccc1NCc1ncc(C(C)(C)C)o1 274805719 PWZAKSAQBFSCKV-UHFFFAOYSA-N 284.359 3.596 30 20 CHED C=CC[C@H](C(=O)N1CCC(=C)CC1)c1ccccc1 275245681 GVLVWFWHJVVWPU-INIZCTEOSA-N 255.361 3.525 30 20 CHED CC(C)(C#N)CCCCN[C@@H](CCCO)c1ccccc1 278661963 HUAOTNXRLQQQQT-KRWDZBQOSA-N 288.435 3.810 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H](C)c1c[nH]c2ccccc12 279126596 XQUPBFZSBNXNSL-STQMWFEESA-N 270.376 3.742 30 20 CHED CCC(CC)C(=O)Nc1cc(C#N)ccc1NC1CC1 280681628 AQSSMBKLGSVDNJ-UHFFFAOYSA-N 271.364 3.507 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2[nH]ccc2c1 281228986 BYOZLWYOMNJHIX-GFCCVEGCSA-N 257.337 3.644 30 20 CHED CC(C)(C#N)CC(=O)O[C@H]1CC(C)(C)Oc2ccccc21 282298556 YZAZEHKXHAACCI-AWEZNQCLSA-N 287.359 3.772 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(Cl)cc2)no1 285213321 FHBYOJMRSIBLFN-CYBMUJFWSA-N 261.712 3.581 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(c2ccc(C#N)nc2)C1 286315634 IJLDJSBRQNVXAI-DYVFJYSZSA-N 263.344 3.541 30 20 CHED Cn1cc(CN2CC(C)(C)[C@H]2c2cccs2)cc1C#N 290235554 UCPBYWRMPOVNQU-OAHLLOKOSA-N 285.416 3.541 30 20 CHED CC(C)[C@@H]1N(c2snc(Cl)c2C#N)CC12CCC2 291627959 AGYJQWIARFGFIQ-JTQLQIEISA-N 281.812 3.683 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 292353101 UGQBCSQFCVSCJV-OAHLLOKOSA-N 287.403 3.613 30 20 CHED Cc1c(C#N)c(S[C@H]2CC[C@@H](C#N)C2)nc2c1CCC2 294995253 NPGLJKKYZALZQI-NEPJUHHUSA-N 283.400 3.535 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1cccc(C2CC2)c1 295097986 BLWMJAYTGYOJBQ-KGLIPLIRSA-N 267.376 3.658 30 20 CHED C=C(C)[C@H](N[C@@H]1CCn2ccnc21)c1ccc(F)c(F)c1 296487980 PNCCAPFWJPDCRI-CABCVRRESA-N 289.329 3.513 30 20 CHED CCOCCCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297661283 FDYQASOQVBWTCQ-UHFFFAOYSA-N 294.420 3.672 30 20 CHED CN(Cc1ccccc1C(F)(F)F)c1ccc(C#N)cn1 301086434 TUKFDZFOBUJHAI-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC(C)(C)Oc1ccc(Nc2ncccc2C#N)cc1 301543466 ORTUBYPGLWZCMI-UHFFFAOYSA-N 267.332 3.874 30 20 CHED C=C(C)COCCNc1nc(-c2ccc(F)cc2)cs1 301647874 FAIFJSOLJLGYGQ-UHFFFAOYSA-N 292.379 3.954 30 20 CHED N#Cc1c(NCc2cccc3ccccc23)nc2ccccn12 302061163 BNKICMGPMOQZHL-UHFFFAOYSA-N 298.349 3.971 30 20 CHED Cc1cccc(Nc2cc(C#N)ccc2[N+](=O)[O-])c1 302230918 YLLYTJCFEATZJD-UHFFFAOYSA-N 253.261 3.519 30 20 CHED C=CCCCCNC(=O)c1ccc(Br)s1 309040091 JGXHKLHOVHFBBB-UHFFFAOYSA-N 288.210 3.597 30 20 CHED CC1(C)CC[C@@H](Nc2ncc(Br)cc2C#N)C1 310103377 YWSFRQLDHQZPJM-LLVKDONJSA-N 294.196 3.706 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1 320768673 PORAJOGPEXVDMU-PWSUYJOCSA-N 288.218 3.971 30 20 CHED Cc1nc(NC(C2CCC2)C2CCC2)ccc1C#N 324890554 MDJDSTDRHISDMR-UHFFFAOYSA-N 255.365 3.642 30 20 CHED OC(=Nc1ccc(N=C(O)[C@H]2C[C@H]3C=C[C@H]2C3)cn1)C1CC1 329217201 PTYVXDOECVMUQE-JKOKRWQUSA-N 297.358 3.880 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cnc3c(c2)CCCC3)CCC1=O 329304244 OFPIXEDZSHIKSJ-DGCLKSJQSA-N 286.375 3.554 30 20 CHED CCC[C@H](/N=C(/O)Cc1cncnc1)C1CCCCC1 329522028 PETOVLLXNLXRHK-HNNXBMFYSA-N 275.396 3.725 30 20 CHED Cc1cc(C)n(-c2ccccc2N=C(O)C[C@@H]2CCOC2)n1 329793457 VOBSTOQUKLWZCP-AWEZNQCLSA-N 299.374 3.504 30 20 CHED CC(C)CC1(C/N=C(/O)c2csc(O)n2)CCCC1 329922147 SZLVVEANRQDTQD-UHFFFAOYSA-N 282.409 3.760 30 20 CHED O/C(=N/CC1CCCC1)N[C@@H]1CCOC2(CCCCC2)C1 330122843 AJULIASQMDEGEN-OAHLLOKOSA-N 294.439 3.562 30 20 CHED CCCOC1(C/N=C(/O)c2ncccc2C)CCCCC1 331125339 CWSNIQDEXKNNFY-UHFFFAOYSA-N 290.407 3.824 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccn(C(C)C)c1C 334253393 XBTHSLBLBCYPRT-UHFFFAOYSA-N 281.359 3.810 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@H](c2cccnc2)C1 335417291 NHTPPKOXVQUKFU-HNNXBMFYSA-N 297.789 3.596 30 20 CHED Cc1cc(C(F)(F)F)ccc1C(=O)N(C)C1(C#N)CCC1 336239784 OGSYJCNWOFRLSQ-UHFFFAOYSA-N 296.292 3.532 30 20 CHED Cc1cc([C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c(C)o1 336244644 VFYOUBJSGFZAHL-SJKOYZFVSA-N 286.375 3.548 30 20 CHED N#CC1CCN(Cc2cc(C(F)(F)F)ccc2F)CC1 336475722 OXQCRMAQLBQZHC-UHFFFAOYSA-N 286.272 3.580 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCCC2(CCC2)C1 337903060 KRRVIBMWKLPYAH-UHFFFAOYSA-N 286.423 3.502 30 20 CHED C=CCCC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 338658879 KHNBDSUHROHYOK-YPMHNXCESA-N 283.293 3.644 30 20 CHED CC(C)CN(CCCCC#N)c1ccc(C#N)cc1 338734984 RWTAKSXQIQKITJ-UHFFFAOYSA-N 255.365 3.715 30 20 CHED Cn1cc(C#N)cc1-c1nc([C@H]2CCCC(C)(C)C2)no1 339509177 MDTSVVBYFNRMJO-LBPRGKRZSA-N 284.363 3.631 30 20 CHED N#CCCCCN1CCOc2cc(Cl)c(Cl)cc21 339722457 RVHNZELVPTXAPF-UHFFFAOYSA-N 285.174 3.886 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(OC)c(C#N)c2)C1 340193676 CNIIHLXUQBEOKF-KRWDZBQOSA-N 272.392 3.579 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2cc(C#N)ccn2)C1 342422023 YMZLMVZOQJVWBY-ZBFHGGJFSA-N 277.371 3.644 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@H]2c2ccc(Cl)cc2)n1 343047455 XISDPHIXVUVFEL-GJZGRUSLSA-N 283.762 3.883 30 20 CHED N#CC1(CN(Cc2ccccc2)Cc2ccco2)CC1 343247393 JCMNHCUDDAQQQD-UHFFFAOYSA-N 266.344 3.586 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)C1CCC(C(F)(F)F)CC1 346473770 LQNCUYDYHMQASO-GCZXYKMCSA-N 290.329 3.506 30 20 CHED C[C@H]1CC[C@@H](C)N1Cc1ccc(Br)cc1C#N 347041892 ZSQSSLRKGLCDSB-PHIMTYICSA-N 293.208 3.694 30 20 CHED Cn1c(SCC2(C#N)CC2)nc2cc(Cl)ccc21 347070130 MYFNUHYSLCOURK-UHFFFAOYSA-N 277.780 3.623 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccccc2)CCCC1(C)C 347423028 FXVPBOFBOBOZKP-HNNXBMFYSA-N 257.377 3.894 30 20 CHED N#C[C@@H]1CCC[C@H]1NCc1cnc(-c2ccsc2)s1 350394691 RUAKZWVQQHLJGW-GXFFZTMASA-N 289.429 3.653 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)c1c(F)cncc1F 353218022 JCDHAODATLQMGE-LLVKDONJSA-N 281.350 3.730 30 20 CHED CCCN(CC)C[C@H](C)N[C@@H](CC)c1ccc(C#N)cc1 353481926 LDWHVRWTRMSEOE-YJBOKZPZSA-N 287.451 3.719 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-n2ccc(C)n2)cc1 353521173 PJFVZTKVIUOCPW-UHFFFAOYSA-N 283.375 3.722 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(C#N)c(F)c2)C1 353551814 WFWRBWLPPANQNF-FZMZJTMJSA-N 289.354 3.740 30 20 CHED C[C@H](CCC1CC1)N[C@H]1CCc2ccc(C#N)cc21 353593752 DVKIUZIPXMSLDS-PXAZEXFGSA-N 254.377 3.714 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn(CC(C)C)c1C1CC1 355073941 UVQCVYDJOZIFCU-UHFFFAOYSA-N 289.423 3.957 30 20 CHED COCC(C)(C)CCCNc1nc(C)c(C#N)cc1Cl 359953668 DTVMMNBZDYTFEJ-UHFFFAOYSA-N 295.814 3.780 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 360568083 JFBZWOUSVYTRAH-GXFFZTMASA-N 295.329 3.507 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(F)cc1C#N)C2 361599268 CMRZLNZKFBHDPT-UHFFFAOYSA-N 266.319 3.522 30 20 CHED Cc1ccccc1CN(C)Cc1ccc(C#N)c(F)c1 361703429 SHGCNSZBZWCBRH-UHFFFAOYSA-N 268.335 3.638 30 20 CHED Cc1cc([C@H]2CCCN2c2ccc(C#N)c(Cl)c2)no1 370240596 JMCNVCMDLMDZEZ-OAHLLOKOSA-N 287.750 3.850 30 20 CHED Cc1n[nH]c(C)c1[C@@H]1CCCN1CCCCC(C)(C)C#N 373071461 SKPYVWFRMXHVDM-HNNXBMFYSA-N 288.439 3.884 30 20 CHED C=CCNC(C)(C)Cc1ccc(Br)c(C)c1 390550277 OLQDKHYSROVHPQ-UHFFFAOYSA-N 282.225 3.854 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C[C@H]1C=CCC1 410964650 IGZSWWTUEGRXQS-NSHDSACASA-N 274.751 3.701 30 20 CHED Cc1ccc2c(c1C)N(C(=O)c1ccc(C#N)s1)CCC2 411086088 ADESXMMBBPDVEF-UHFFFAOYSA-N 296.395 3.830 30 20 CHED C=CCCCC(=O)NCc1cc(C)ccc1Br 412642951 OUXILQKHAHZNSV-UHFFFAOYSA-N 296.208 3.730 30 20 CHED Cc1ccc([C@@H]2CCN(c3ncc(C#N)cc3F)C2)c(C)c1 413260343 DTUYATWJJBRJCC-OAHLLOKOSA-N 295.361 3.703 30 20 CHED CC(C)(C)c1ccncc1CNCc1ccc(C#N)s1 414495398 GZKKBEUICYSASW-UHFFFAOYSA-N 285.416 3.602 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416676665 CVTXOMXRDSHYEL-OLZOCXBDSA-N 272.392 3.889 30 20 CHED CCN(Cc1occc1C)C(=O)Nc1cc(C#N)ccc1C 416764166 FGUXWJNPZVSHRI-UHFFFAOYSA-N 297.358 3.822 30 20 CHED C=CCOc1ccc(CNCC2(C#N)CCC2)cc1Cl 418143522 PXZJOFNHEMBNHB-UHFFFAOYSA-N 290.794 3.688 30 20 CHED CC(=O)c1cccc(CSCC2(C#N)CCC2)c1 419503124 GTKOLVXVZPRYRS-UHFFFAOYSA-N 259.374 3.816 30 20 CHED CC(C)(C)[C@H]1C[C@H](NCc2ccc(C#N)s2)CS1 421347596 CSCKMVHDWKZYGC-GXFFZTMASA-N 280.462 3.630 30 20 CHED Cn1cc(CN2CC[C@H](c3ccccc3)C2(C)C)cc1C#N 421399677 QPFOPUDISZRQSU-GOSISDBHSA-N 293.414 3.665 30 20 CHED CCC1(C(=O)Nc2ccc(C#N)c(C#N)c2C)CCCC1 421556126 JEOYAYRVDOXTPM-UHFFFAOYSA-N 281.359 3.647 30 20 CHED C[C@H]1C[C@@H](C(=O)N2CCc3c(C#N)cccc32)CC[C@H]1C 421655553 HJASDSWRJRNAIY-RDBSUJKOSA-N 282.387 3.520 30 20 CHED C=CCC1(CN[C@H](C)c2ccc(CN)nc2C)CCCC1 423162009 OPDZHRDFKBGFCU-CQSZACIVSA-N 287.451 3.636 30 20 CHED CCCC[C@H](CCC)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 425468293 QXASSCCNSCOXKR-SOUVJXGZSA-N 279.428 3.584 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(Cc3cc(C#N)n(C)c3)C2)cc1 426540641 QGNZNSGICWDNJE-CRAIPNDOSA-N 293.414 3.583 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)CCCC(F)(F)F)OCC 427738125 ACVRVOWUQSYYIG-VXGBXAGGSA-N 295.345 3.595 30 20 CHED Cc1ccc(NCc2ccc(F)c(C#N)c2Cl)c(C)n1 428872655 RPEFFYJCIIMJMJ-UHFFFAOYSA-N 289.741 3.975 30 20 CHED C[C@H]1CC[C@H](N(C)CC#Cc2ccc(Cl)cc2)C1 429558368 FEICLPCHMHMYRZ-BBRMVZONSA-N 261.796 3.812 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1cc(C)oc1C 432344629 FDLJZZPGOJYYGL-LBPRGKRZSA-N 278.396 3.859 30 20 CHED CC#CCCCC(=O)N(C)C1CCC(C(C)C)CC1 432574356 ORWFTEZNRZTXJG-UHFFFAOYSA-N 263.425 3.853 30 20 CHED C=CC[C@H]1N(Cc2ccc(F)cn2)CCCC1(C)C 434505971 AKOQZPSSMOFGNC-OAHLLOKOSA-N 262.372 3.787 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCc2ccccc21 435674418 QRLYMXBCUVMCRG-NXHRZFHOSA-N 271.404 3.635 30 20 CHED CC(C)(C#N)CCCCSc1ccc([N+](=O)[O-])cn1 436210064 MHIUEKAJHYYRMR-UHFFFAOYSA-N 279.365 3.802 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)C1CCC(F)(F)CC1 436303913 CQRIBUSIKHZBJT-CFVMTHIKSA-N 287.394 3.771 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C1=C(C)CCC1 438039220 ZTJPKVHMZLACRF-UHFFFAOYSA-N 283.375 3.819 30 20 CHED C=CCCCN1C[C@H](c2ccccc2C)OC[C@H]1C 441449729 OKSDCROYILQYKD-NVXWUHKLSA-N 259.393 3.723 30 20 CHED COc1cc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1C#N 442838466 SQRYQAZNCCCTMS-JQFCIGGWSA-N 284.403 3.577 30 20 CHED COc1cc(Br)cc(N[C@@H]2CC[C@H](C#N)C2)c1 442857400 PMRQGXVAYYXGAW-GXSJLCMTSA-N 295.180 3.562 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(C#N)cc1 444445587 CYIBENIARXZBTR-UHFFFAOYSA-N 275.311 3.600 30 20 CHED N#Cc1cc(NCC#Cc2cccc(Cl)c2)ccc1F 448072930 AKUQEKTULKVEJE-UHFFFAOYSA-N 284.721 3.814 30 20 CHED C=CC(C)(C)C(=O)NCCOc1cccc2ccccc12 448749588 OPCQBWGYJUFBFG-UHFFFAOYSA-N 283.371 3.547 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 449207927 RTPZGCTVTIMCMG-OLZOCXBDSA-N 264.417 3.714 30 20 CHED N#Cc1ccc(CNC2(Cc3ccc(F)cc3)CC2)cc1 449564236 CQWFCORTXVCWIH-UHFFFAOYSA-N 280.346 3.562 30 20 CHED CC(C)(C#N)CCCN1CCOC[C@H]1c1ccc(F)cc1 451792660 ALXDQIXZDLFFOJ-INIZCTEOSA-N 290.382 3.529 30 20 CHED C=C(C)CCNC(=O)CC(C)(C)CC(=O)c1ccccc1 452717541 LSQQKEYKWCEILC-UHFFFAOYSA-N 287.403 3.758 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCC[C@@H]1CCOC1 453364178 LROOFXWKDIZTOB-DNVCBOLYSA-N 298.430 3.732 30 20 CHED C=CC[C@H](C)NC(=O)NCCc1cc2ccccc2s1 454514615 CCGXTGLWDAEGNW-LBPRGKRZSA-N 288.416 3.708 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OC(C)C)c(OC)c1 455144572 CIBOJFQPLQBRBF-UHFFFAOYSA-N 292.379 3.570 30 20 CHED C=CCC1(CNC(=O)N(C)CCCC)CCCC1 455477851 LUKNHSIYHFGQKO-UHFFFAOYSA-N 252.402 3.564 30 20 CHED CN(C(=O)c1cccc(SCC#N)c1)C1CC(C)(C)C1 458183623 KJIZUDMVTCGEBM-UHFFFAOYSA-N 288.416 3.563 30 20 CHED CCCCN(CCCC)C(=O)c1ncc(C#N)cc1Cl 459993135 ZIARKMLLYCRDJA-UHFFFAOYSA-N 293.798 3.649 30 20 CHED N#Cc1cccc(OCCNc2ccc(Cl)cc2F)c1 462215138 QQHFKPKKEGFHSO-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)CC1CCCCC1 466325076 KROALADSYIFOOP-CQSZACIVSA-N 252.402 3.563 30 20 CHED C=C(C)C[C@H](C)C(=O)N(CC(=O)OC(C)(C)C)[C@H](C)CC 466429265 WUMFRQMPNIWYBY-UONOGXRCSA-N 297.439 3.558 30 20 CHED CC#CCCCC(=O)NCC[C@@H](C)CC(C)(C)C 468080678 RCEYZBWNQDHBCM-CQSZACIVSA-N 251.414 3.759 30 20 CHED CCC1(CC)CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 469932611 LJEVOEAVTFUREJ-UHFFFAOYSA-N 298.430 3.920 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H]1c1cccc(C)c1C 472590484 NIYUZVWPLPGDMT-WMZOPIPTSA-N 273.420 3.767 30 20 CHED C=CCCCCNC(=O)NC[C@H](C)Cc1cccs1 472799527 LUJWJULSCPXUBT-CYBMUJFWSA-N 280.437 3.582 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@](C)(Cc1ccccc1)[C@@H](C)O 477856872 IVBBYYQAIRBDNV-BMFAXAFESA-N 289.463 3.807 30 20 CHED C=CCC1(C(=O)N2CCc3ccc(Cl)cc32)CCC1 479886447 PJCQMGPQCYUKGN-UHFFFAOYSA-N 275.779 3.976 30 20 CHED C=C[C@H](C)N[C@@H](C)Cc1ccccc1C(F)(F)F 481664139 XWVGALHBTHPGNT-QWRGUYRKSA-N 257.299 3.801 30 20 CHED C=CCN(C(=O)Cc1ccc(OCC)cc1)c1ccccc1 484268190 ZNQWLRTVKYZTAV-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1ccc(C)cc1 486746587 KBNNEKVKGSWFFL-UHFFFAOYSA-N 284.359 3.851 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)c(C(C)=O)c1 486788905 TWOSRFFDHFNMIC-LLVKDONJSA-N 292.354 3.895 30 20 CHED C=C(C)CNC(=O)N[C@H]1c2ccccc2CCC[C@H]1C 488561747 QVVNBYZLCMNVRJ-CZUORRHYSA-N 272.392 3.575 30 20 CHED C=CCC(C)(C)CNC(=O)CO[C@H]1CCCC[C@@H]1CC 489795235 ICFIVAXTFBBALP-GJZGRUSLSA-N 281.440 3.690 30 20 CHED C=CCCO[C@H](C)C(=O)N(CCC)CC1CCCCC1 502158191 YLVTYRWWEOUYSG-OAHLLOKOSA-N 281.440 3.787 30 20 CHED COc1ccc(C)cc1CCNc1ccc(C#N)cc1F 506833361 RDNOVNJSMGUOQV-UHFFFAOYSA-N 284.334 3.669 30 20 CHED C=C(C)CCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 509358011 NDGPFFOBPUXAGQ-SFHVURJKSA-N 294.398 3.922 30 20 CHED N#Cc1cnc(N2CCC[C@H]2Cc2ccccc2)c(Cl)c1 513651014 UYGUQWBLSPGGOE-HNNXBMFYSA-N 297.789 3.818 30 20 CHED C[C@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)n1cccc1 517101524 VTPYSJWNPACLQS-CQSZACIVSA-N 295.386 3.879 30 20 CHED C=C(C)COc1cc(CN2CCC[C@@H](F)C2)ccc1OC 517948200 RCNXGNIYOUNPQT-OAHLLOKOSA-N 293.382 3.584 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)C2(C#N)CCCCC2)c(C)c1 519469036 LUXOFKCXTUXNFW-INIZCTEOSA-N 298.430 3.825 30 20 CHED COc1ccc(CN2CCC(CCC#N)CC2)cc1Cl 520804925 CZEAYUOOHFXLBG-UHFFFAOYSA-N 292.810 3.864 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@@H](C)[C@H]1C1CC1 527861713 YXVUDFYXRHDQQZ-DOPJRALCSA-N 296.414 3.589 30 20 CHED C=CC[C@@H](C(=O)N1CCC(F)(F)C[C@@H]1C)c1ccccc1 530008544 IOOCVCAIISWAIY-DZGCQCFKSA-N 293.357 3.993 30 20 CHED CCCCNC(=O)[C@@H](C)Sc1ccc(C#N)cc1Cl 533626925 IJHKXVQOJBQURA-SNVBAGLBSA-N 296.823 3.609 30 20 CHED CCN(C(=O)c1ccc(CC#N)cc1)c1cccc(F)c1 536244139 OJVUQOQXZUTJQC-UHFFFAOYSA-N 282.318 3.558 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H](C)c1ccc(C#N)cc1 536802238 OBWANQLUJRHQHV-DVOMOZLQSA-N 285.391 3.592 30 20 CHED C=C(CC)CN(CCCO)[C@@H]1CCCc2ccccc21 538000239 KJEXZSBWASVSSY-GOSISDBHSA-N 273.420 3.715 30 20 CHED CN(CCCOc1ccc(Cl)cc1)CCC(C)(C)C#N 538465679 LVMBBHLSTWFXQV-UHFFFAOYSA-N 294.826 3.981 30 20 CHED C=CCOc1cccnc1C(=O)Nc1cc(C)cc(C)c1 539292214 IWEPNDVXWUWXJL-UHFFFAOYSA-N 282.343 3.516 30 20 CHED CC(C)C[C@@H]1C[C@H](Nc2c(F)cc(C#N)cc2F)CCO1 539611562 MGZFICYCZIESNE-CHWSQXEVSA-N 294.345 3.842 30 20 CHED C=CCN(C(=O)C1(c2ccc(F)cc2)CCCC1)C1CC1 542527423 ZIHXDTKFYNGFKV-UHFFFAOYSA-N 287.378 3.815 30 20 CHED N#Cc1cc(C(=O)N2CC[C@@H]2c2ccccc2)ccc1Cl 543632344 NSYKVULNYMRBEG-MRXNPFEDSA-N 296.757 3.799 30 20 CHED CC[C@H](CC(F)(F)F)Nc1ccc(C#N)cc1[N+](=O)[O-] 546181690 AUGBBEZSURHGEI-SECBINFHSA-N 287.241 3.609 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(F)c(C#N)c2)c1 547763295 LUDKBHXTQLDCND-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(C#N)c(Cl)c1 548610965 LKORSXCYZYWHJP-GHMZBOCLSA-N 290.794 3.766 30 20 CHED C=CCOc1ccc(CNC(=O)CC2=CCCCC2)cc1 552242598 AFGUBGJPDUKBFI-UHFFFAOYSA-N 285.387 3.758 30 20 CHED CCN(CCc1ccccc1)c1nccc(C#N)c1Cl 553296608 JYSAPIRLUKQUKK-UHFFFAOYSA-N 285.778 3.676 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NC[C@@H](C)C#N 556838606 LULTVMRDQPOOPI-YOFIQYCBSA-N 290.451 3.895 30 20 CHED C=CC[C@H](C)N[C@@H](C)CCc1ccc(F)cc1F 560546432 TUYQJWLRYAXBAD-RYUDHWBXSA-N 253.336 3.840 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](C)c1cccc(CC(C)C)c1 561016204 UHBPLIPKJWNWGV-INIZCTEOSA-N 298.430 3.917 30 20 CHED C=CCCCCNC(=O)NCc1ccc(CSC)cc1 561690424 KUMRYEMAWYBYSL-UHFFFAOYSA-N 292.448 3.705 30 20 CHED Cc1cc(CN(C)c2ccc(C#N)c([N+](=O)[O-])c2)ccc1F 562245300 HLTSWSZEQABIEU-UHFFFAOYSA-N 299.305 3.550 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 564768002 OCDHPAPOAQICAU-OAHLLOKOSA-N 288.366 3.899 30 20 CHED C=C(C)CCNc1cc(Cl)ccc1N1CCOCC1 566326242 PHZUJVOWIAZUEW-UHFFFAOYSA-N 280.799 3.555 30 20 CHED C[C@H]1CC[C@H](C(=O)N2CCCc3cc(C#N)ccc32)CC1 566857319 AMKRLEGUIJXBGB-CTYIDZIISA-N 282.387 3.664 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1onc(C(F)(F)F)c1CC 568408724 WVJBHDVTOPXQAV-UHFFFAOYSA-N 290.285 3.797 30 20 CHED CC#CCN(C)C(=O)C1(c2ccc(F)cc2)CCCCC1 569496366 PYXXHIUVZHTLQP-UHFFFAOYSA-N 287.378 3.509 30 20 CHED C=CCCC1(c2nc(Cc3ccccc3)no2)CC1 571718658 RRUMQLMTQHXABU-UHFFFAOYSA-N 254.333 3.658 30 20 CHED CC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CCCCC1 577259835 NRSLJRILCQAIJS-CQSZACIVSA-N 290.794 3.991 30 20 CHED C=CCCCCCNc1cc(C(=O)NCC)ccc1C 578712527 AAKVFYYNVVOFSH-UHFFFAOYSA-N 274.408 3.903 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@]23CCC[C@H]2C3)CC1 581937399 FRSOSUNGUZTKJL-ONKUYLGYSA-N 288.435 3.791 30 20 CHED CC(C)C[C@@H](C)CC(=O)NC1(c2cccc(C#N)c2)CC1 582682705 WQZBJQULWFLGDJ-CQSZACIVSA-N 284.403 3.736 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 584749841 ZHFDEOXZDDYUBJ-KBPBESRZSA-N 290.455 3.678 30 20 CHED N#Cc1ccc(C(=O)Nc2ncc(Cl)cc2Cl)cc1 585715473 PSVMNAILLNTTTD-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC[C@H]1Cc2ccccc2CN1c1cc(C#N)cc(C)n1 588018936 OVOVAGWPIBCVAE-KRWDZBQOSA-N 277.371 3.603 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)NC[C@H](C)C#N 588478032 FUENNIYNOXEFJP-WPVMNKCKSA-N 297.185 3.673 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccc(O)c(Cl)c2)c1 588480290 QAVWVYYMZGHXTA-XQRVVYSFSA-N 283.714 3.813 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(c2cccnc2C#N)C1 589584183 IKXMAMRRLFRTGU-LJQANCHMSA-N 291.398 3.802 30 20 CHED CC[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)C1CCCC1 590807533 IZZRCFMGQWXLSP-DYVFJYSZSA-N 299.418 3.887 30 20 CHED CCN(CCc1cccs1)[C@@H](C#N)c1ccccc1 595297413 SYCQDIHOAKCLRJ-INIZCTEOSA-N 270.401 3.877 30 20 CHED COc1ccc([C@H](NCC2(C#N)CC2)c2ccccc2)cc1 595635962 PEZSBEVIMIZVQT-GOSISDBHSA-N 292.382 3.678 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)[C@H]1CCC[C@@H](C)C1 595649241 XLHFEUBVXVNPOY-UGUYLWEFSA-N 291.439 3.536 30 20 CHED CC(C)c1ccc2ncnc(N3CCC(C)(C#N)CC3)c2c1 596189709 PVVCNZNEWQLRRY-UHFFFAOYSA-N 294.402 3.883 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@@]1(c2ccccc2)CC1(C)C 597661753 SEDPCGISYXGBAF-IBGZPJMESA-N 298.430 3.800 30 20 CHED C=CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)C 598868549 DAUIVOVKKFAJEL-UHFFFAOYSA-N 284.403 3.914 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1F 601027232 XCEYYPYVKSHBGI-LBPRGKRZSA-N 289.137 3.555 30 20 CHED N#CCC1(CSCc2cccc3c2CCOC3)CC1 601061909 WEFFLZZTWMSANN-UHFFFAOYSA-N 273.401 3.686 30 20 CHED C[C@H](CCC#N)CN[C@H]1CC[C@@H](c2ccc(F)cc2)C1 602647666 JVBLSXFVILQWHT-UNEWFSDZSA-N 274.383 3.991 30 20 CHED CN(Cc1ccc(F)c(Cl)c1)CC1(CC#N)CC1 602819789 IQIKUFZBEJHLJV-UHFFFAOYSA-N 266.747 3.605 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)N(C)C[C@@H](C)C#N 609687808 UBNWFMLOAKHNAT-KBPBESRZSA-N 279.428 3.536 30 20 CHED C[C@H](NCc1ccnc(C#N)c1)c1cccc2ccccc12 611376665 UAGOBUWCMYVKKI-AWEZNQCLSA-N 287.366 3.957 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1c(C)cc(C)cc1Cl 613855064 WPIVYAIKDXGMNB-LLVKDONJSA-N 279.771 3.771 30 20 CHED C=CCC1(NC(=O)c2ccc(C(C)=O)s2)CCCC1 619115243 YQWUMYSKIJQINQ-UHFFFAOYSA-N 277.389 3.569 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC1CC=CC1 624541194 TYQIFOSQNQHYTK-UHFFFAOYSA-N 284.403 3.741 30 20 CHED C=CCCCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 647436860 GWAOKVOMFLMQDG-HNNXBMFYSA-N 293.794 3.676 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2c(C)noc2C)CCCCC1 654021108 YWYDMTRGKUPXPD-LBPRGKRZSA-N 290.407 3.790 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC1(CCOCC)CC1 657932577 QBORZAWLYZFJLW-HZPDHXFCSA-N 265.441 3.918 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)CCC(F)(F)F 678858567 JWVVBOITOLITII-NSHDSACASA-N 280.334 3.715 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 682370682 WQJQERIDNXBBHM-LJQANCHMSA-N 296.414 3.963 30 20 CHED C=CC[C@H]1N(c2nnc(C(C)(C)C)n2C)CCCC1(C)C 685518083 WLIPQUDDSVVCON-CYBMUJFWSA-N 290.455 3.684 30 20 CHED CO[C@@H](CNc1cccc(F)c1C#N)C1CCCCC1 695070167 FKQNTLHFKNSEHZ-INIZCTEOSA-N 276.355 3.705 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCCCC1(F)F 695835048 FYDXROLOAZHVBD-VXGBXAGGSA-N 258.356 3.730 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 717676364 VBEPIZPVNDJKCV-UHFFFAOYSA-N 296.754 3.723 30 20 CHED C[C@@H]1CCCC(=NNc2ncnc3sccc23)C1 725818095 VIBNJWJXBZLVKN-SECBINFHSA-N 260.366 3.669 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)c2cccs2)c1 726441706 QJNBLRVHXSNDNN-NSHDSACASA-N 286.425 3.777 30 20 CHED C=CCNC(=O)N[C@@H](CCCCC)c1ccccc1 728065731 LSYARACVYJYMEO-HNNXBMFYSA-N 260.381 3.793 30 20 CHED CCc1ccccc1NN=Cc1ccc(OC)c([N+](=O)[O-])c1 730144996 MVHYNOZGHBLOHB-UHFFFAOYSA-N 299.330 3.612 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C\c1ccco1 732644264 QBUJRORWYUQKOJ-KHPPLWFESA-N 273.376 3.888 30 20 CHED C#CCOc1ccc(C(C)=NNc2cccc(F)c2)cc1 733203601 RSHFWNSZWIPUGW-UHFFFAOYSA-N 282.318 3.674 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1ncnc2sccc12 734295804 AGFIITKYUBWYDD-UHFFFAOYSA-N 298.346 3.593 30 20 CHED C=C(Cl)CNC(=O)CCc1ccc2ccccc2c1 736246637 CRGBBBMEHZBXCJ-UHFFFAOYSA-N 273.763 3.641 30 20 CHED Clc1ccc([C@H]2CCCC2=NNc2ncccn2)cc1 741459200 VJOSLNGUDJWFNT-CYBMUJFWSA-N 286.766 3.866 30 20 CHED C=CC[C@H](NC(=O)Cc1ccc(CC)cc1)c1ccncc1 741693200 LLHUFSZTSBASFI-SFHVURJKSA-N 294.398 3.620 30 20 CHED CC(=NNc1cccc2ccccc12)[C@H]1CCOC1 741761072 FTXJYXHVJIKSAN-AWEZNQCLSA-N 254.333 3.664 30 20 CHED CCCCCCCCOC(=O)c1cc(C2CC2)n(C)n1 744046107 UOYKQZFRSBTGPK-UHFFFAOYSA-N 278.396 3.815 30 20 CHED Cc1cc(C)cc(C=NNc2oc(CC(C)C)nc2C#N)c1 745613417 SXMNNYMKSFQDON-UHFFFAOYSA-N 296.374 3.808 30 20 CHED C=CCN(C(=O)[C@@H](CC)Oc1ccccc1Cl)C(C)C 748793110 BUCOQTISZCEOLO-CQSZACIVSA-N 295.810 3.920 30 20 CHED C#CCN(Cc1ccnc(Cl)c1)[C@@H]1CCc2ccccc21 748806599 KPXLCYJZKNKJIQ-QGZVFWFLSA-N 296.801 3.858 30 20 CHED Cc1ccc(N(C(=O)c2cccc(C#N)c2)C(C)C)cc1 751135447 SGOBMLXBYGEQEG-UHFFFAOYSA-N 278.355 3.922 30 20 CHED CCCc1ccc(C(=O)/C=C\c2ccc(C(=O)OC)[nH]2)cc1 751515429 ZVKXGLJWINWHFM-BENRWUELSA-N 297.354 3.650 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc(F)c(F)c2)co1 752891378 UDPLWURTTHBWAG-GQCTYLIASA-N 277.270 3.972 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1F)c1ccc(O)cc1O 753717923 RPBHGMOECAJKMV-LZCJLJQNSA-N 292.693 3.786 30 20 CHED CCCCCCCCNC(=O)Cc1ccc(OC)c(F)c1 754841154 GEFBSYMYMVTUEP-UHFFFAOYSA-N 295.398 3.854 30 20 CHED Cc1ccnc(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)c1 755907156 VTJSXSSECFQZAU-DGCLKSJQSA-N 255.321 3.552 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2ccc(Cl)nc2)c1 757468182 OWHKAAKKPQWKNA-UTCJRWHESA-N 273.719 3.645 30 20 CHED CC(=NOCC(F)F)c1cccc(C(F)(F)F)c1 758902059 AGPHFOYVLVASPJ-UHFFFAOYSA-N 267.197 3.711 30 20 CHED C=C[C@H](CC(=O)OCc1c(CC)noc1C)c1ccccc1 758907588 KMMDZYXLLYJEIF-CQSZACIVSA-N 299.370 3.949 30 20 CHED CCCCCCCCNC(=O)NCc1cncc(C)c1 760329921 NFLAUZYENLUKMA-UHFFFAOYSA-N 277.412 3.550 30 20 CHED Oc1nc2ccccc2cc1/C=N\C1CCC(F)(F)CC1 761181862 SGLGJQCMCWDORI-GRSHGNNSSA-N 290.313 3.937 30 20 CHED COc1cc(F)ccc1NN=Cc1c[nH]c2ccccc12 761885509 VHAAEHISTLCLFA-UHFFFAOYSA-N 283.306 3.762 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1cccc(F)c1 764776289 VCDURLIMFNPOTC-UHFFFAOYSA-N 293.345 3.888 30 20 CHED Cc1c(C(=O)OCC(C)(C)CC#N)oc2c(F)cccc12 764834172 FGDWROPQMDSPJZ-UHFFFAOYSA-N 289.306 3.977 30 20 CHED Brc1ccsc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 764908956 ZEIPELHJAFCGOL-ATZCPNFKSA-N 299.237 3.623 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccccc2)ccc1C#N 766450650 PJRZYBDUVMBMAU-AWEZNQCLSA-N 263.344 3.551 30 20 CHED CC#CCCCC(=O)O[C@@H](CC)c1cccc(OC)c1 767122721 UPPNNHXIUZHVGD-INIZCTEOSA-N 274.360 3.883 30 20 CHED C#C[C@H](C)N(C)C(=O)/C=C\c1cccc(OC2CCCC2)c1 767244459 YHIQOFBPYVKWAX-LLNWESEBSA-N 297.398 3.501 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cccc(Oc2ccccc2)c1 767254558 NVQDBRSFAJUETG-CQSZACIVSA-N 279.339 3.573 30 20 CHED CC#CCCCC(=O)OCc1ccc(Cl)s1 767664578 LYYQRACITJNUQR-UHFFFAOYSA-N 256.754 3.638 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCOC2(CCC2)C1 768397003 MGMIPQZDFLJZQM-HNNXBMFYSA-N 281.440 3.955 30 20 CHED C[C@H](Cc1cccs1)Nc1ccc(F)cc1OCC#N 768519620 UAMXBGIQTQNZQT-LLVKDONJSA-N 290.363 3.833 30 20 CHED Cc1ccncc1[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 770745076 DKCAFZZCAOBCDL-GJZGRUSLSA-N 295.386 3.532 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCCC1(C)C 773135949 QIHMJTRMGVHFKJ-CYBMUJFWSA-N 289.350 3.603 30 20 CHED O=C(/C=C/C=C/c1ccccc1)c1sccc1O 773143156 NIRIPJZAWCDAKU-KBXRYBNXSA-N 256.326 3.906 30 20 CHED C=C[C@@H](CC(=O)NN1[C@@H](C)CCC[C@H]1C)c1ccccc1 773394421 XGVXWRQUYDBIJB-XHSDSOJGSA-N 286.419 3.640 30 20 CHED C=C(CC)CN1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 773427293 FXUMMRYCOVIZIY-HLLBOEOZSA-N 259.393 3.803 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)o1 774593459 ODASZGMANSVOJV-NUNXZZDCSA-N 258.365 3.515 30 20 CHED Cc1cc(F)ccc1C(=O)OCc1cccc(C#N)c1F 774971833 MRAISRJYKPLBFA-UHFFFAOYSA-N 287.265 3.502 30 20 CHED N#CCc1ccc(COC(=O)c2cccc(Cl)c2)cc1 776111918 PPAYRKZFBKTDOL-UHFFFAOYSA-N 285.730 3.763 30 20 CHED N#Cc1csc(/C=C\C(=O)c2cccc(F)c2F)c1 776268090 MKAZSZYHQLKJEY-PLNGDYQASA-N 275.279 3.794 30 20 CHED CSc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)o1 776386901 XLZHDYDABHYJKP-LBPRGKRZSA-N 279.361 3.631 30 20 CHED CC(C)[C@@H]1CC(=NNc2nccc3sccc23)CCO1 776767407 XWJSOXSABCNINI-ZDUSSCGKSA-N 289.404 3.899 30 20 CHED C=CCOc1cccc(C=NOCCC(F)(F)F)c1 777461042 URUMLXIGRKOMHR-UHFFFAOYSA-N 273.254 3.554 30 20 CHED Fc1cccc(CON=C2CCCOCC2)c1Cl 778601939 RKNKTNDQICYVBC-UHFFFAOYSA-N 271.719 3.552 30 20 CHED C=CCC[C@H](C(=O)OCC[C@H]1CCCO1)c1ccccc1 778666074 KDFSTCUTSPRYES-SJORKVTESA-N 288.387 3.849 30 20 CHED CC(C)(C)Sc1cc(C(=O)OCCCCC#N)ccn1 778863443 LYUDKPKQISRJGS-UHFFFAOYSA-N 292.404 3.823 30 20 CHED C#CCCCCCC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 779946742 FLWDHKBTVAHVMY-OWCLPIDISA-N 261.409 3.750 30 20 CHED C#CCCCCCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 780301621 KIYYMOKARJYKLM-INIZCTEOSA-N 290.366 3.995 30 20 CHED O=C1c2ccccc2CN1N=Cc1cccc2ccccc12 781598253 YROPOTUIPDDUQJ-UHFFFAOYSA-N 286.334 3.830 30 20 CHED CCc1cc(Br)ccc1NN=C(C)[C@H](C)OC 783871733 MCEYWJXAKNQSRJ-JTQLQIEISA-N 299.212 3.834 30 20 CHED N#CCCCNC(=O)c1c(Cl)ccc(Cl)c1Cl 784133869 CQYZFVABVKCVIE-UHFFFAOYSA-N 291.565 3.680 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)C12CCC(CC1)C2 784889585 PKTBFINWIURJSM-UHFFFAOYSA-N 288.774 3.815 30 20 CHED CC(C)C(=NOC[C@H]1CCOC1)C1CCCCC1 788031712 XYEUFWIEXNSEKZ-ZDUSSCGKSA-N 253.386 3.632 30 20 CHED CC(=NOCc1ccccc1)c1cc(C(=O)O)ccc1C 788422149 NJZYGHCVGBVRBS-UHFFFAOYSA-N 283.327 3.634 30 20 CHED C(=NN[C@@H]1CCOC1)c1ccc(Sc2ccccc2)cc1 788440719 XCWCEXQQBCIBEZ-OAHLLOKOSA-N 298.411 3.550 30 20 CHED CCC(C[C@@H](C)CC)=NN[C@H](CO)c1ccccc1 788470411 XGTDSTLVHHVCGX-XJKSGUPXSA-N 262.397 3.512 30 20 CHED c1ccc(OCCCNN=C2CCC23CCCC3)cc1 788714046 OSDMMTRFUGCBAP-UHFFFAOYSA-N 272.392 3.755 30 20 CHED CCC(=NNc1c(C)cc(C)cc1C)c1cn[nH]c1 789020674 KVRBHZQUFOSYQW-UHFFFAOYSA-N 256.353 3.561 30 20 CHED CC[C@H](C)NN=C(C)c1nc2ccccc2n1C(F)F 790190897 WCMWAQXRKXIRBV-VIFPVBQESA-N 280.322 3.544 30 20 CHED C#CCN(C)C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 790965602 SVXKBISBTPSVNQ-UHFFFAOYSA-N 291.394 3.723 30 20 CHED C#CCCCNC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 792598964 UIAPIVVARGQBBO-LSDHHAIUSA-N 269.388 3.506 30 20 CHED CC[C@@H](C)CON=Cc1ccc(OC)c(OC)c1Cl 793164789 YXKXTCRJPTWEON-SNVBAGLBSA-N 285.771 3.754 30 20 CHED C=CCC[C@H](C)N[C@@H](CCC)[C@H](O)c1ccccc1 793239042 QJIKOOVSAMVUNA-BHYGNILZSA-N 261.409 3.833 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H]1[C@@H]1CCCO1 793483621 OAXHFPKBPSMIHZ-HOTGVXAUSA-N 281.440 3.907 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)c1ccc(C#N)o1 794335144 DJGCTWQRISJBMW-GFCCVEGCSA-N 274.364 3.630 30 20 CHED Cc1ccc(C)c(NN=Cc2ccnn2C(C)C)c1 794479962 ITHNVCZHPQKZKO-UHFFFAOYSA-N 256.353 3.527 30 20 CHED C=C(C)COC(=O)c1ccccc1COc1ccccc1 794547544 ROKWFPIEGLFQRD-UHFFFAOYSA-N 282.339 3.999 30 20 CHED C#Cc1cccc(NC(=O)c2ccoc2C(C)C)c1 794917384 VZTBRVXEOYCSMZ-UHFFFAOYSA-N 253.301 3.637 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1/CCc2ccc(O)cc2C1=O 794960157 MMNRXOFRXDWGTD-WQLSENKSSA-N 296.370 3.625 30 20 CHED Fc1ccc2c(c1)C(=NNc1ncccc1F)CCS2 794993089 IPHFYXWZZYLZPH-UHFFFAOYSA-N 291.326 3.672 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H](F)CC2CCCCC2)n1 796617368 BTQRUSZEGPWCGL-OLZOCXBDSA-N 294.395 3.936 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccn(C(CC)CC)n1 796631172 DGXXLVQLBVRIQE-UHFFFAOYSA-N 295.430 3.880 30 20 CHED C=C(C)CCN1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799359833 AZBRAMVSPABOIH-OAHLLOKOSA-N 296.455 3.579 30 20 CHED COCC[C@H]1CCCC1=NNc1cc(C)cc(C)c1 799870428 KZHLZTTZZVCINP-CQSZACIVSA-N 260.381 3.908 30 20 CHED CCCC[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 800393856 RAAQCQMZXWCEAC-CHWSQXEVSA-N 283.375 3.874 30 20 CHED C[C@@H](CCSCCO[C@H](C)C#N)OCc1ccccc1 802750326 CKKJETDXKIWJRW-LSDHHAIUSA-N 293.432 3.644 30 20 CHED C[C@@H](C#N)OCCSCCc1c(F)cccc1Cl 802750913 FGOUOMQHPJNZNY-JTQLQIEISA-N 287.787 3.683 30 20 CHED C#CCC(C)(C)C(=O)NCC(F)(F)c1ccc(Cl)cc1 804679886 GWBHWZQWLQAHEW-UHFFFAOYSA-N 299.748 3.598 30 20 CHED C=CCC[C@H](NC(=O)Cc1ccc(F)cn1)c1ccccc1 807113899 RCCGFSVCLHNVRL-KRWDZBQOSA-N 298.361 3.587 30 20 CHED C=CCCCCCCCCNC(=O)N1CC[C@H]1C 807592313 QGTMPCNOVXRCBU-CQSZACIVSA-N 252.402 3.707 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@H](C)c3ccccc32)o1 807967161 PDSJIRNENMFUDQ-NSHDSACASA-N 294.358 3.993 30 20 CHED CCCCCCCCC(=O)OCc1ncc(C)cn1 808504326 BCTHNOZYIYXAIN-UHFFFAOYSA-N 264.369 3.579 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1CCN(C(C)C)C1 809735622 MKNLWZQJSOPUOP-IRXDYDNUSA-N 266.473 3.831 30 20 CHED CCCCCCCn1c(Br)cccc1=O 809977703 QBAJDRMVXIANEN-UHFFFAOYSA-N 272.186 3.581 30 20 CHED Fc1ccc(C2CC(=NOC/C=C/Cl)C2)cc1 811669374 OOWXVPOTEKMYQN-WJAYDXFRSA-N 253.704 3.828 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCCCCCC1 812175502 RFGBIODBBNNHJE-UHFFFAOYSA-N 288.439 3.892 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](CC1CCCC1)c1ccccc1 812176453 CBJAPUKHOVYTKX-MAUKXSAKSA-N 298.430 3.971 30 20 CHED CC(C)OCCON=C[C@@H](C)CCc1ccccc1 812238218 WDAHTGOKPZKTAZ-HNNXBMFYSA-N 263.381 3.683 30 20 CHED Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc(F)c(F)c1 812490171 BIENBGGTPKPCMQ-XQRVVYSFSA-N 296.704 3.556 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)OCCCCC(C)(C)C#N 812640236 SEGCCAJKJYGCAY-CHWSQXEVSA-N 251.370 3.686 30 20 CHED C=CCCCCCCCNC(=O)Cn1cnc2ccccc21 813256358 CUITVPMCUVVHPY-UHFFFAOYSA-N 299.418 3.679 30 20 CHED C=CCCCCCCCNC(=O)c1cn(C)nc1C(C)C 813256667 IPYUAVZEBBWCRF-UHFFFAOYSA-N 291.439 3.800 30 20 CHED C/C(=C/C(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)C 813260187 QAXNVVRGDJUPKC-YFHOEESVSA-N 260.312 3.628 30 20 CHED C=CCCS(=O)(=O)Oc1ccc(C2CC2)cc1Cl 814404447 PZMXPEVETFPECE-UHFFFAOYSA-N 286.780 3.502 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cc(C(=O)O)cs1 814686294 YBCRADPFBWSUAZ-UHFFFAOYSA-N 296.298 3.561 30 20 CHED O=C(O)c1cccc(NN=C2CCCC23CCCC3)c1 814687222 CEXTXHHVEGEACN-UHFFFAOYSA-N 272.348 3.897 30 20 CHED COCCON=C(Cc1ccccc1Cl)c1ccoc1 814865348 UMDYCZYZQPVHSJ-UHFFFAOYSA-N 293.750 3.543 30 20 CHED Clc1cccc(CNN=Cc2nccs2)c1Cl 814913816 WMSBUFQLPCGCBU-UHFFFAOYSA-N 286.187 3.574 30 20 CHED C=CCCN(OCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 815100969 YLWYUHWMFRPGDI-SJORKVTESA-N 270.376 3.689 30 20 CHED C=CC[C@@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccncc1 815622807 GCOHWMPDPICIEB-GMGZGELVSA-N 284.403 3.641 30 20 CHED C[C@@]1(COC(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]2C[C@@H]2C1 816138838 HGPBTKAZTAGJLJ-VIKVFOODSA-N 289.762 3.805 30 20 CHED CCCCN(C(=O)c1ccc(C#N)o1)[C@H]1CCC[C@H](C)C1 818802319 MAVYYZZWICFOFJ-KBPBESRZSA-N 288.391 3.972 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1(F)CCCCC1 819737413 XOJDIHWNHVMLSH-ZDUSSCGKSA-N 288.366 3.750 30 20 CHED CC[C@@H]1CCC[C@@H](C=NN[C@@H](C)c2ccncc2)C1 819816665 MNAGKINKDVPVQS-RRFJBIMHSA-N 259.397 3.934 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)c(OC)c(F)c1OC 821729962 AVRAGFZSTJYPDB-SECBINFHSA-N 299.317 3.523 30 20 CHED C=CC[C@H](NCc1ccc(C)cc1OC)c1ccncc1 823887454 HYFHBXZBVQEACO-KRWDZBQOSA-N 282.387 3.806 30 20 CHED COCC[C@H](C)Nc1ccc(OC(C)(C)C)c(C#N)c1 824722029 MBEWUJCOLDLYRZ-LBPRGKRZSA-N 276.380 3.572 30 20 CHED Cc1ccc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 830043451 WGAXMQPCNNZCNV-BXUZGUMPSA-N 296.461 3.592 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2cccc3ccccc23)[nH]1 833311810 DIWOXYROYKTEMY-PKNBQFBNSA-N 291.306 3.762 30 20 CHED O=C(/C=C\c1cccc(Cl)c1)c1ccc2nc(O)[nH]c2c1 834827640 KVXSRQATJPRQJX-DAXSKMNVSA-N 298.729 3.818 30 20 CHED COc1cc(NN=C2C[C@@H](OC)C23CCC3)ccc1Cl 834977591 UWYHJHFIHRFSBL-CQSZACIVSA-N 294.782 3.706 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccc(C(=O)O)c(F)c2)C1 835009943 IVSHUSCIRFIULA-WDEREUQCSA-N 278.327 3.748 30 20 CHED C=CCC[C@@H](C)OC(=O)C1(C(F)(F)F)CCC1 835269780 ZGFPMZODWDIUFA-SECBINFHSA-N 250.260 3.617 30 20 CHED C=C(C)[C@@H](C)OC(=O)C1(Cc2ccccc2)CCOCC1 835299111 XOCPSELDMCXXBT-OAHLLOKOSA-N 288.387 3.534 30 20 CHED C=CC(C)(C)CNC(=O)/C=C/c1nc2ccccc2s1 836828976 SBRKWXNUOFAYOG-MDZDMXLPSA-N 286.400 3.638 30 20 CHED COc1cccc([C@H]2C[C@H](C)CN2C(=O)C#CC(C)(C)C)c1 837524722 INRILTBIQXFVCF-WMLDXEAASA-N 299.414 3.654 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(Cl)cc2F)C1 839042601 FRUFNFSGFNJPPX-GXSJLCMTSA-N 281.714 3.718 30 20 CHED N#CCCCCCC(=O)OCCC1(C#N)CCCCC1 840570982 BEXKWDWJAVTUTG-UHFFFAOYSA-N 276.380 3.868 30 20 CHED C#C[C@@H](OC(=O)CO[C@H](C)CC)c1ccc(Cl)cc1F 842353880 RJZOUWYBHANESI-QMTHXVAHSA-N 298.741 3.512 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C\C1CCCC1 843534277 YZSQVXBICPUKIL-RAXLEYEMSA-N 299.414 3.956 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](c1ccccc1)C1CCCC1 845633074 HHQWQDKFOJERPB-CZUORRHYSA-N 288.391 3.723 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1CCCNCC1 846668731 LDXKXSOQDMJGAE-MRXNPFEDSA-N 282.472 3.633 30 20 CHED CC(C)CCC(=NNc1ccc(CC(=O)O)cc1)C1CC1 848413962 GAAJVBUXJQBKLU-UHFFFAOYSA-N 288.391 3.928 30 20 CHED Cc1cc(C(=O)/C=C\c2ccnn2CC2CC2)c(C)s1 849242183 ACPJVLNPNTXHEW-WAYWQWQTSA-N 286.400 3.868 30 20 CHED N#Cc1ccc(OCCC2SCCS2)c(Cl)c1 853015827 WRRKBDCYMZHCIH-UHFFFAOYSA-N 285.821 3.787 30 20 CHED C[C@H]1CCCCN1N=Cc1csc(Br)c1 853380765 SMOJRIUBFJWQEO-VIFPVBQESA-N 287.226 3.719 30 20 CHED C(=NOCC1CCC1)c1ccc(OCc2ccncc2)cc1 853439235 BEYLZJMIHZIYQQ-UHFFFAOYSA-N 296.370 3.811 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1cccc(C#N)c1C 857598420 ONPIPMCXHTWECE-HNNXBMFYSA-N 262.328 3.724 30 20 CHED N#CCC1CCN(C(=O)OCc2cccc(Cl)c2)CC1 859100213 DYRSIRBUQWHPBW-UHFFFAOYSA-N 292.766 3.602 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(Cl)ccc1OC 860196423 YIRSUUAVCBBBMV-UHFFFAOYSA-N 295.766 3.722 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)OCC(C)(C)CC#N 860658168 CQERPPQBXDSHJM-CQSZACIVSA-N 273.376 3.657 30 20 CHED CCCCCCCC(=O)N1CCC(c2ncco2)CC1 862110654 PNXGPFBBIYWLON-UHFFFAOYSA-N 278.396 3.741 30 20 CHED Cc1cccc(NN=Cc2ccccc2C2CC2)n1 863160146 SDCWSJFBMPVMKG-UHFFFAOYSA-N 251.333 3.713 30 20 CHED COc1ccc2c(c1)C/C(=C/c1cn(C(C)C)nc1C)C2=O 865227561 SIXKCDJSTARCGH-ZSOIEALJSA-N 296.370 3.603 30 20 CHED CCc1nocc1/C=C1/CCc2c(F)cccc2C1=O 865227749 WDSOSAQQHMRUBI-NTMALXAHSA-N 271.291 3.589 30 20 CHED C=CCC[C@H](C(=O)NCCC(C)(C)OC)c1ccccc1 871257826 CSNCMTUGMGJKCM-INIZCTEOSA-N 289.419 3.668 30 20 CHED C#CCCCCCCN[C@@H]1CCO[C@@H](C(C)(C)C)C1 877123585 LURHWJTZWAYMIG-HZPDHXFCSA-N 265.441 3.753 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H](CF)C1)c1ccccc1 881598086 JWESMFXIGIGRIA-HUUCEWRRSA-N 275.367 3.554 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1cc(C#N)cs1 887960266 DXUOEYPTZBSKAS-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1conc1C 888730600 KBHGDBVHGCBZLT-UHFFFAOYSA-N 285.347 3.593 30 20 CHED C=C1CCC(C(=O)NC(C#N)(CCC)CCC)CC1 889452345 YOCLJIFAHBCGNK-UHFFFAOYSA-N 262.397 3.712 30 20 CHED C=C1CCC(C(=O)NC2(c3cccc(OC)c3)CC2)CC1 889490530 WYXZLZYFXRWRJI-UHFFFAOYSA-N 285.387 3.547 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C#N)cc1Cl 889598136 XBFVXTWTVQPJTH-UHFFFAOYSA-N 262.740 3.752 30 20 CHED N#Cc1c(Cl)nsc1N[C@H](c1ccccn1)C1CC1 895793706 JJOCKZLJOFRHTP-NSHDSACASA-N 290.779 3.626 30 20 CHED C=C(C)C[C@@H](NC1CC(C)(C)CC(C)(C)C1)C(=O)O 901679045 LYSGNBYTGBPFPV-CYBMUJFWSA-N 267.413 3.600 30 20 CHED C=CCNC(=O)N[C@@H](c1ccccc1)C1CCCCC1 915675242 IUZQBIRBOKFYFF-INIZCTEOSA-N 272.392 3.793 30 20 CHED C(/C=C\c1ccccc1)=NNc1nncc2ccccc12 915909355 FTWVBSVDDWSEOS-WPFQCSIDSA-N 274.327 3.741 30 20 CHED C=CCN(Cc1cc(Cl)c2c(c1)OCCCO2)C(C)C 917069184 JTESLPDMTCMOLX-UHFFFAOYSA-N 295.810 3.898 30 20 CHED Cc1ccc2c(c1)CC[C@H]2/N=C/c1cccc(O)c1O 920177860 LWIRONUDASIBBA-BFERYNQYSA-N 267.328 3.513 30 20 CHED C=CCOc1cccc(C=NNc2cccc(F)c2)c1 920384111 OYNWOFWNINYRIU-UHFFFAOYSA-N 270.307 3.837 30 20 CHED CC(Cn1nc(C)cc1C)=NOC/C=C/c1ccccc1 920400233 FJDOFQXQNZXSHC-PZBAQERWSA-N 283.375 3.606 30 20 CHED CCC(CC)c1cc(CN[C@H](C)CC(C)(C)C#N)on1 925155962 LCIQXDHVGNJZRK-GFCCVEGCSA-N 277.412 3.996 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1noc(-c2ccccc2)n1 925273333 FIIZAGNALCHENX-CHWSQXEVSA-N 298.390 3.716 30 20 CHED CCSc1ccccc1CCN[C@@H]1CC[C@H](C#N)C1 926920526 RAZBATYOUILCPM-DZGCQCFKSA-N 274.433 3.623 30 20 CHED COc1cc(/C=C\C(=O)c2occc2C)ccc1F 1116377682 MJUXJDHFCGGXCS-XQRVVYSFSA-N 260.264 3.632 30 20 CHED CCS[C@@H]1CCC[C@@H](Nc2cccc(CC#N)n2)C1 1116661938 MHWUYXPPBSYBKS-ZIAGYGMSSA-N 275.421 3.624 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cccnc2N(C)C)cc1 1117350362 IRBOJNOJQBYABE-SEYXRHQNSA-N 294.398 3.996 30 20 CHED N#CCC1(COC(=O)C(F)(F)c2ccc(Cl)cc2)CC1 1118444296 QUFOKYATSLCUOQ-UHFFFAOYSA-N 299.704 3.669 30 20 CHED N#CCCCCCC(=O)N(c1cccc(C#N)c1)C1CCC1 1119487420 NDECQJVKMSLTSS-UHFFFAOYSA-N 295.386 3.918 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccc(CC#N)cc2)[C@H](C)C1 1126375213 LNFHJSWBAUMDFE-IOASZLSFSA-N 271.360 3.734 30 20 CHED C[C@H](NC(=O)c1cccc(CC#N)c1)C1CCCCCC1 1127958144 WKTFWHXLSXHNDX-AWEZNQCLSA-N 284.403 3.841 30 20 CHED C[C@H](C#N)CNC(=O)c1sc2cccc(F)c2c1Cl 1146978822 RPQWGDYRMJJIDQ-SSDOTTSWSA-N 296.754 3.583 30 20 CHED Cc1cc(=NCC[C@H]2C[C@H](C)CC(C)(C)C2)c(C#N)c[nH]1 1186316401 SWMFZJLAMOIEOF-ZFWWWQNUSA-N 285.435 3.948 30 20 CHED CCc1ccccc1CNC(=O)Nc1cccc(CC#N)c1 1205389988 GIJZTEMTIJDIBC-UHFFFAOYSA-N 293.370 3.637 30 20 CHED CCCn1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)c(C)n1 1206377375 WLQUEGZAHHUXEY-HNNXBMFYSA-N 296.418 3.666 30 20 CHED C[C@@H]1Cc2ccccc2CN1CCc1ccc(C#N)cc1 1208928866 KDUNJKYVHFEIPO-OAHLLOKOSA-N 276.383 3.548 30 20 CHED COc1cc(/C=C2\CCCC(C)(C)C2=O)ccc1F 1253611492 GTAUEYRDBKMOMP-FMIVXFBMSA-N 262.324 3.997 30 20 CHED N#Cc1cc2ccccc2nc1N[C@@H]1CCC[C@H](F)C1 1261452360 BDQNNLQLBRLGFH-UONOGXRCSA-N 269.323 3.799 30 20 CHED C[C@@]1(C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H]2CC[C@H]1C2 1264297369 DMEJMRVVSKOMNC-KNHMANMVSA-N 288.778 3.976 30 20 CHED CCCOc1cccc(C(=O)Nc2cc(C#N)ccc2F)c1 1275425518 IKEVLGHUBMQVGO-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCC(C)CC1 1286620874 UZDKNCLCAMCUJB-LBPRGKRZSA-N 296.846 3.780 30 20 CHED C[C@H]1CC[C@H](C)N1c1ccc(C#N)c(Br)c1 1307000214 XJUMBFXOLMAZDH-UWVGGRQHSA-N 279.181 3.698 30 20 CHED CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cccc(C#N)c1 1307543661 MZRCDGCWOYXMME-IAGOWNOFSA-N 286.419 3.584 30 20 CHED C=CCCOCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 1317989116 DWPIPLZNPTYSRW-HNNXBMFYSA-N 293.794 3.596 30 20 CHED C#CCN(Cc1csc(CCC(C)C)n1)CC1CC1 1319667372 VYJZXIONMHYNBT-UHFFFAOYSA-N 276.449 3.577 30 20 CHED C=C(C)CNC(=O)c1nc(-c2ccccc2)oc1C(C)C 1320783673 ROYKKVJWYDBFNY-UHFFFAOYSA-N 284.359 3.771 30 20 CHED CC(C)(C)c1cnc(NC(=O)c2csc(C#N)c2)s1 1325529134 IJJZOFOMOMAMMC-UHFFFAOYSA-N 291.401 3.626 30 20 CHED Cc1coc(C(=O)N(c2cccc(C#N)c2)C2CCC2)c1 1331451945 AJNLLOIFZSNRCJ-UHFFFAOYSA-N 280.327 3.659 30 20 CHED C[C@H]1CSCCN(CCCCC2(C#N)CCC2)C1 1334194409 PRPPPWRCFNPQEQ-CQSZACIVSA-N 266.454 3.535 30 20 CHED CC[C@H](C#N)C(=O)N1CCC(c2cc(C)ccc2C)CC1 1342709639 SODAPQFEGUDLEE-OAHLLOKOSA-N 284.403 3.559 30 20 CHED CCCCCCCCCC(=O)NC1CC2(CC(N)C2)C1 1343442021 OPSLYQDCVIVBFK-UHFFFAOYSA-N 280.456 3.513 30 20 CHED CC(C)(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 1346663143 SASBXZKJUMDVQI-UHFFFAOYSA-N 267.332 3.587 30 20 CHED O=C(CC#Cc1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 1348040721 LJDDYXOLYKGHKR-ROUUACIJSA-N 281.399 3.609 30 20 CHED CCCC[C@H]1CCC[C@H]1Nc1cc(C#N)nc(CC)n1 1472685002 JWTLNBPMNMRQKU-GXTWGEPZSA-N 272.396 3.681 30 20 CHED N#Cc1c(F)cccc1Sc1cnc2ccccc2n1 1472816409 GJYNQIWYJXWCGL-UHFFFAOYSA-N 281.315 3.792 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CC[C@@H](c3ccccc3)C2)C1 1474591359 GYRIQROZXRJIPT-SVGFKBNWSA-N 254.377 3.605 30 20 CHED Cc1cc(F)c(C(=O)Nc2ccc(F)c(C#N)c2)c(F)c1 1528017034 GPZKUVSKRVKDOC-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=C[C@@H](N[C@H](CC)c1cccc2ccccc12)C(=O)O 1573347168 JJLMJEIMYLHLSH-HZPDHXFCSA-N 269.344 3.520 30 20 CHED Cc1cc(C)c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)s1 1583565798 LRTYMKFGFARXHX-NWDGAFQWSA-N 263.362 3.604 30 20 CHED C=C(C)C[C@H](C)C(=O)Oc1ccc(C(=O)O)cc1Cl 1588536943 WAOLFKBXXOFCJQ-VIFPVBQESA-N 282.723 3.546 30 20 CHED CSc1ccc(C(=O)/C=C/c2cc(C(=O)O)co2)cc1 1610386281 QBRKARKVVYYLTR-QPJJXVBHSA-N 288.324 3.596 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1cc(Cl)ccc1F 1612221226 MGULNZREGBWSTG-SECBINFHSA-N 275.714 3.919 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3cc(C)c(C#N)cn3)C2)cc1 1612321710 GMXQUEZVWRAQNB-RDJZCZTQSA-N 291.398 3.953 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)c1c(F)cccc1F 1612945782 MZNDBHRUSBGIEJ-QMMMGPOBSA-N 277.249 3.544 30 20 CHED CN(c1ncccc1C#N)[C@H]1CCC[C@@H]1C(C)(C)C 1640047204 NMKRGLTULOGFGG-KBPBESRZSA-N 257.381 3.604 30 20 CHED Cc1ccc(CNc2c(Br)cccc2C#N)o1 1640217027 QBTSWOICLCBIFQ-UHFFFAOYSA-N 291.148 3.834 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1c1ccnc(C#N)c1 1652034086 BRAPPDSNDZTAQL-QGZVFWFLSA-N 277.371 3.912 30 20 CHED C[C@@H](CCC#N)CN1CC(C)(C)Oc2ccccc21 1657670531 IYWPBWULWCEVTO-ZDUSSCGKSA-N 258.365 3.604 30 20 CHED CC[C@@]1(C)CCCC1=NNc1ccc(C(=O)O)cc1 1776012451 SLTKRAFYOPYZML-HNNXBMFYSA-N 260.337 3.753 30 20 CHED C=C[C@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776076472 QDPWRDJYAVDQMP-JTQLQIEISA-N 276.311 3.668 30 20 CHED CCOc1ccc(/C=N/[C@@H](C)c2ccccc2)c(O)c1 1497004 BGRXMSPKEZAVJP-HTMJNSLASA-N 269.344 3.971 30 20 CHED CCC(CC)=NNc1ncnc2sc3c(c12)CCC3 8284813 YTSNOWIBPFXJHZ-UHFFFAOYSA-N 274.393 3.768 30 20 CHED N#Cc1cccc(CSc2nnc(-c3cccs3)o2)c1 28230085 WEYYPZXJHLNBRZ-UHFFFAOYSA-N 299.380 3.962 30 20 CHED COc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1F 37290422 VOBKSZFUGMJXAW-NSHDSACASA-N 270.307 3.879 30 20 CHED CCN(Cc1ccccc1)c1nc(C)cc(C)c1C#N 40418569 BZOZSPJUYQIHHD-UHFFFAOYSA-N 265.360 3.597 30 20 CHED Cc1cc(C)c(C#N)c(NCCC2=CCCCC2)n1 40418603 PHUINYHACSRILY-UHFFFAOYSA-N 255.365 3.873 30 20 CHED N#Cc1ccc(OCCN(Cc2cccs2)C2CC2)cc1 42349984 NDRHRNMGJZIFHB-UHFFFAOYSA-N 298.411 3.663 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1cccc(C#N)c1 43474176 QOAIENCSPPDHAE-JTQLQIEISA-N 285.278 3.779 30 20 CHED CC(C)C/C(N)=N/OCc1cccc2ccccc12 49391763 RKICIQAEZQYKGR-UHFFFAOYSA-N 256.349 3.675 30 20 CHED CCOc1cccc(CNc2ccc(F)c(C#N)c2)c1 51636131 JEHMUHFKYFNHJN-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CN(C(=O)c1sccc1C#N)[C@@H]1CCCc2ccccc21 52028925 PAVVFWIOVDCYNW-OAHLLOKOSA-N 296.395 3.769 30 20 CHED C[C@@H](OC(=O)c1sccc1C#N)c1cccc(F)c1 52222951 RIZMLBSYAGLYRV-SECBINFHSA-N 275.304 3.677 30 20 CHED COc1ccc(CN(C)Cc2cccc(C#N)c2)cc1C 71959523 DTVPQWMECINXSC-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(CCC#N)Cc1ccco1 72572121 JBQUVFYLOHWNPL-CQSZACIVSA-N 288.391 3.738 30 20 CHED Cc1nc2ccc(Nc3nnc(C)c(C)c3C#N)cc2s1 74145037 NHCDHVKZKKZUCQ-UHFFFAOYSA-N 295.371 3.627 30 20 CHED CCCc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)CCC)cc1 76762625 UYWUVFCHDPRFBN-GFCCVEGCSA-N 297.420 3.721 30 20 CHED N#Cc1c(F)cccc1Sc1ccc(C(=O)O)cc1 93408172 NPYHXRVUMKHEGO-UHFFFAOYSA-N 273.288 3.547 30 20 CHED CCOc1ccc(NCc2cc(C#N)cs2)cc1 93492179 JAYNRKWVFXBIKP-UHFFFAOYSA-N 258.346 3.631 30 20 CHED CC(C)(C)CC(C)(C)NCc1cc(C#N)cs1 93492278 OUHCBCMQGFFAHD-UHFFFAOYSA-N 250.411 3.924 30 20 CHED C=CCCC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 110463347 WSHOVXCGQCJRMX-UHFFFAOYSA-N 288.391 3.884 30 20 CHED N#Cc1ccc(NCc2ccnc3ccccc23)cc1 111788384 BYAYZXGLYOMNKR-UHFFFAOYSA-N 259.312 3.719 30 20 CHED N#C[C@@H](NC(=O)C1CCCCCC1)c1ccc(Cl)cc1 113176320 KGDGQWQDOCEUML-OAHLLOKOSA-N 290.794 3.991 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCc2cccc(OCC#N)c2)o1 113346868 AXCBHCZUKXRTIE-SUMWQHHRSA-N 296.370 3.595 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@@H]2CCc3ccccc32)n1 115901041 HLXTXRWCPCIPQX-DZGCQCFKSA-N 296.395 3.748 30 20 CHED C=CC[C@@H](C)NC(=O)c1sc(-c2ccccc2)nc1C 116852548 XNIOZQNHUATBAC-LLVKDONJSA-N 286.400 3.813 30 20 CHED C=CC[C@@H](C)NC(=O)c1occc1-c1ccccc1 116857779 DGCHSTMEMVXCOE-GFCCVEGCSA-N 255.317 3.641 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1OC 116973445 KVKCZXKJAPCVEV-UKRRQHHQSA-N 288.391 3.506 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCCc3occc32)cc1 119373030 AMJDCITXXGLXTQ-INIZCTEOSA-N 297.354 3.652 30 20 CHED CCN(CC#Cc1ccc(Cl)cc1)Cc1ccccn1 119797909 OPFTUOUZNLMHDF-UHFFFAOYSA-N 284.790 3.609 30 20 CHED C=C[C@@H](CC(=O)OCCOC(C)(C)C)c1ccccc1 122309402 VWOCIBSTFOYDFY-AWEZNQCLSA-N 276.376 3.705 30 20 CHED N#CCCCN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 123887588 CUBQQURHJNKVMW-ZWKOTPCHSA-N 286.419 3.658 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3ccc(F)cc3)cnc12 125220000 LIFOOPUPLSWUCG-CMDGGOBGSA-N 280.302 3.678 30 20 CHED Cc1nc([C@@H](C)N(C)CC#N)oc1-c1ccc(Cl)cc1 125314020 ZEMZGTRJKIIRCX-LLVKDONJSA-N 289.766 3.820 30 20 CHED C[C@@H](NC(=O)CCc1ccc(C#N)cc1)C1CCCCC1 125585611 UNBCFPXWRJLJSK-CQSZACIVSA-N 284.403 3.576 30 20 CHED CC(=O)N1CCCc2cc(NCC(C)(C)CCC#N)ccc21 128043281 VDQGYNGVNMPWNS-UHFFFAOYSA-N 299.418 3.728 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1C#N 130951726 FKVCRVYPZRFHBB-UHFFFAOYSA-N 298.317 3.737 30 20 CHED C[C@@H](Cc1ccccc1Cl)NCc1ccc(C#N)s1 135679986 YBZLGHCPQUCGQQ-NSHDSACASA-N 290.819 3.994 30 20 CHED CCN(CC#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 152809254 KTODPSNCWFBQOL-CQSZACIVSA-N 272.392 3.676 30 20 CHED C=C(C)CNC(=O)Nc1cccc(Cl)c1OC(C)C 157445145 XRLVVLSZYWLEIB-UHFFFAOYSA-N 282.771 3.825 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H]1CCCCS1 158200720 VFOWAPZURFUJBK-LBPRGKRZSA-N 266.797 3.909 30 20 CHED Cc1ccc(N/C(N)=N\CCCSCC(C)C)cc1 158336964 SCQOFMLGGVYXHQ-UHFFFAOYSA-N 279.453 3.501 30 20 CHED N#Cc1ccc(S[C@@H]2CCCc3ccccc32)nn1 160469751 HNPCXCDEDJZMHX-CQSZACIVSA-N 267.357 3.518 30 20 CHED C=CCC[C@@H](NC(=O)NCc1ccccn1)c1ccccc1 160552183 WXRUNRKEAPEYMR-QGZVFWFLSA-N 295.386 3.588 30 20 CHED C=C(C)CNC(=O)CCCCOc1cc(C)ccc1C 161085696 FHYMHRDCMMLFLE-UHFFFAOYSA-N 275.392 3.545 30 20 CHED CC(C)CCCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 171304067 MTXJOPBZVDWGKS-UHFFFAOYSA-N 299.418 3.668 30 20 CHED CC(C)C[C@H](C)CC(=O)N(CC#N)c1ccccc1 171418592 VYBDVFSXZAZAQO-AWEZNQCLSA-N 258.365 3.615 30 20 CHED COCc1cccc(/C=C2\CCc3c(O)cccc3C2=O)c1 172819217 XOFKSCMQIHVWHX-RVDMUPIBSA-N 294.350 3.751 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 174295280 OZIZUVDYNZXLQQ-PBHICJAKSA-N 285.387 3.656 30 20 CHED CC(C)(CCC#N)CNCCc1nc(C(C)(C)C)cs1 174359107 DVSBUZXBGGKYPB-UHFFFAOYSA-N 293.480 3.903 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(Cl)cn1 175878588 CFBHRTPBEWGJQS-UHFFFAOYSA-N 281.787 3.945 30 20 CHED COc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1C#N 176411594 AUHQJJXHPIQBES-MLPAPPSSSA-N 293.297 3.528 30 20 CHED CCCCCCCC(=O)N1CCO[C@@H](c2ccco2)C1 176735308 QFLAABOGDXEZMO-OAHLLOKOSA-N 279.380 3.540 30 20 CHED O=C1/C(=C/c2cncs2)CSc2c(F)cccc21 178321923 CWCOIJZNBGOWBW-XBXARRHUSA-N 277.345 3.654 30 20 CHED CCCOc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 179390868 LDOXKQFFUFUDEM-UHFFFAOYSA-N 294.354 3.794 30 20 CHED CCCCCCCNc1cccc(C[S@@](C)=O)c1 179848482 CENYZMDYFUOPLW-GOSISDBHSA-N 267.438 3.947 30 20 CHED C=CCSCCN[C@H](CC)c1ccccc1OC 180458046 IVISXNBMFMOXAL-CQSZACIVSA-N 265.422 3.655 30 20 CHED CC[C@@H](Cc1ccccc1)NCc1ccc(OCC#N)cc1 180546851 NPOCZEIJVROUEI-SFHVURJKSA-N 294.398 3.700 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 181001580 WRSLSPDIFRHOTE-INIZCTEOSA-N 272.392 3.745 30 20 CHED CCCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cn1 181725690 GZAFOJTYDQCHOH-AWEZNQCLSA-N 295.386 3.593 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCc3c(F)cccc32)cc1 184427175 CJKHNTWOFWPPHM-CYBMUJFWSA-N 296.345 3.679 30 20 CHED C=CCCC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 185469468 IDGWVJXSCSSUKY-OAHLLOKOSA-N 271.404 3.969 30 20 CHED COc1cc(C#N)ccc1CSc1cccc(O)c1 185692848 JGMOJDLZTKOXRO-UHFFFAOYSA-N 271.341 3.565 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCSc2ccc(F)cc2)C1 185767216 UAONMXUVUXMLFX-DZGCQCFKSA-N 292.423 3.980 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cc3ccccc3o2)C1 185780751 WSHVNOOQFDMROM-GXTWGEPZSA-N 254.333 3.605 30 20 CHED Cc1cc(Cl)ncc1NCc1ccc(C#N)s1 186057019 VYCDRSQXSLGSQJ-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc(C)cc(C)c1 187170678 KXZDVQOTHAXUQU-UHFFFAOYSA-N 279.339 3.568 30 20 CHED COc1ccc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)cc1 188871866 FJCQWQFFSUSMTL-DHZHZOJOSA-N 298.386 3.851 30 20 CHED CC[C@H](CC#N)NC(=O)c1c(-c2ccccc2)oc(C)c1C 189128202 MJOZPFNXPCVFNR-OAHLLOKOSA-N 296.370 3.986 30 20 CHED C=CCCCC(=O)NCc1ccc(C(F)(F)F)cc1C 189837372 ROMWWDRCXKVXOB-UHFFFAOYSA-N 285.309 3.986 30 20 CHED Cn1ccc2cccc(NCCOc3cccc(C#N)c3)c21 190814139 ZLPDNMATWMCFTD-UHFFFAOYSA-N 291.354 3.541 30 20 CHED C#CCN(C)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 191032943 LVMYOKJSICYLLX-UHFFFAOYSA-N 287.359 3.568 30 20 CHED N#Cc1ccc(CNc2ccc(N3C[C@@H]4CC[C@@H]3C4)cc2)o1 192217769 LJCHVDCFTCQBAI-CZUORRHYSA-N 293.370 3.752 30 20 CHED C=CCCCC(=O)Nc1ccc(SC)cc1OC 192705210 QFWYNRCKWRXNNU-UHFFFAOYSA-N 265.378 3.712 30 20 CHED Cc1ccccc1C[C@H](C)NCc1ccc(OCC#N)cc1 193904447 ODUANZOFESPKBX-INIZCTEOSA-N 294.398 3.618 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(O)c([N+](=O)[O-])c2)c1 209181755 WCCIPHRAUDVWDB-ALCCZGGFSA-N 283.283 3.505 30 20 CHED C[C@H]1CCC[C@@H](N(C)Cc2cc(F)ccc2C#N)C1 229957314 OTXCZYCZMFKEEX-BLLLJJGKSA-N 260.356 3.708 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(OC)c1 233905460 ZAVLLTMRKVVFCP-ZBFHGGJFSA-N 272.392 3.625 30 20 CHED COc1cc(C#N)cc(OCCCc2ccccc2)c1 234961930 DZEYPKQDZBKUOC-UHFFFAOYSA-N 267.328 3.578 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)s1 247114295 FEIZSWBPVRVPDU-NPODOCJWSA-N 272.417 3.534 30 20 CHED Oc1ccccc1/C=N\C[C@H](c1ccccc1)N1CCCC1 255421807 QOAOEKSIJGAKOM-WRDGEJPTSA-N 294.398 3.648 30 20 CHED N#Cc1ccccc1/C=C1/C(=O)Nc2cc(Cl)ccc21 255569638 MNESHRPKCXPDBH-VGOFMYFVSA-N 280.714 3.704 30 20 CHED O=C(/C=C\c1cc(F)c(F)cc1F)c1ccc(O)cc1 255620973 HQELHXVIWXMZSS-UTCJRWHESA-N 278.229 3.706 30 20 CHED N#CCC1(COC(=O)/C=C\c2ccc(Cl)cc2)CC1 255676228 HRNZCWYTWWIECT-UTCJRWHESA-N 275.735 3.590 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2c(C)noc2C)cc1 255884850 STOBPVZBNTWELC-KTKRTIGZSA-N 285.343 3.976 30 20 CHED CCCCCCCS(=O)(=O)Cc1ccccc1OC 268711183 KISZZKICFGNXNM-UHFFFAOYSA-N 284.421 3.580 30 20 CHED COCCC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCC1 271931928 IPZCLWVRBZMWTF-ZDUSSCGKSA-N 290.382 3.555 30 20 CHED CC(C)C[C@@H]1C[C@H](Nc2ccc(C#N)cc2)CCO1 272012892 NHAROAPUVONTGG-HZPDHXFCSA-N 258.365 3.564 30 20 CHED C=CCCN(C)C(=O)Nc1c(C)noc1-c1ccccc1 276059799 INTTVUKFJOHWII-UHFFFAOYSA-N 285.347 3.690 30 20 CHED CC[C@@H](NCCC[C@@H]1CCCCO1)c1ccc(C#N)cc1 278685993 KBPYBBDWHNWXKH-ZWKOTPCHSA-N 286.419 3.948 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)N(C)C[C@@H](C)C#N)c2ccccc21 279835407 NSZIIIBZOSTVHN-IAOVAPTHSA-N 299.418 3.672 30 20 CHED N#Cc1ccc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)o1 280420916 ZCRDTORBXGCVPE-ZFWWWQNUSA-N 284.334 3.716 30 20 CHED C#CC[C@@H](NC(=O)N1CCC(C)=C(C)C1)c1ccccc1 280713537 HPMNDUNFZIMWJE-QGZVFWFLSA-N 282.387 3.503 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1nc2ccccc2n1C 281543376 ITLXEAPPWSAKED-STQMWFEESA-N 257.381 3.579 30 20 CHED CC1=CC[C@H](Nc2ccccc2O[C@@H](C)C#N)CC1 285134228 LNQIQDUKJNAVMI-KBPBESRZSA-N 256.349 3.888 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 285452769 PDEVUAFBFORBJB-BXUZGUMPSA-N 288.778 3.777 30 20 CHED C=CCC[C@H](NCc1nc(C)cs1)c1ccco1 285461273 AHLLQNWUYBEUAV-LBPRGKRZSA-N 262.378 3.842 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCSc1cccc(Cl)c1 289839011 DPENHIIVFZIJFJ-LLVKDONJSA-N 296.823 3.583 30 20 CHED Cc1cnccc1SCCCC1(C#N)CCOCC1 292701587 GSVRUXBDJLCZOB-UHFFFAOYSA-N 276.405 3.583 30 20 CHED C=C1CCN(C(=O)c2nc3cc(Cl)ccc3s2)CC1 296381181 RZVDKKNGGRWTHB-UHFFFAOYSA-N 292.791 3.742 30 20 CHED CC[C@H](NCCCc1ncccc1C)c1ccc(C#N)cc1 296577988 UCDITILEDGLDKG-SFHVURJKSA-N 293.414 3.935 30 20 CHED C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)c2nccn21 296662453 FIKJSRQWINHHLY-FVQBIDKESA-N 280.375 3.524 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 297157965 ACHQWGREWFDZEC-KOMQPUFPSA-N 290.382 3.679 30 20 CHED C[C@@H]1CCC[C@@H](Nc2nc(Cl)c(C#N)s2)[C@@H]1C 300120599 CGENHWCUDFXRNM-IWSPIJDZSA-N 269.801 3.905 30 20 CHED N#Cc1ccc(NCCCSc2ccccc2)cn1 301497118 CRBUPIBOEDLNPJ-UHFFFAOYSA-N 269.373 3.548 30 20 CHED C=CCN(CC1CCCCC1)c1ccc(C#N)cn1 301758438 FDQSDEZSNPTUCB-UHFFFAOYSA-N 255.365 3.526 30 20 CHED CC(C)N(CCNc1ccc2cc(C#N)ccc2n1)C(C)C 301977981 NNSDXCCIHJVTPP-UHFFFAOYSA-N 296.418 3.637 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccc(C)c(F)c2)c1 302019818 HFRGGPVRQATLQH-UHFFFAOYSA-N 282.318 3.821 30 20 CHED CCN(C[C@H](C)C#N)c1cc(C(C)(C)C)nc(C(C)C)n1 302784506 UVYRFNIVYAFNPX-CYBMUJFWSA-N 288.439 3.883 30 20 CHED Cc1cc(C#N)cc(NCc2cn(C)nc2C(C)(C)C)c1 308155272 OZOGFYNYSCLCHR-UHFFFAOYSA-N 282.391 3.510 30 20 CHED C[C@]1(C(O)=Nc2ccc3ccoc3c2)CCCOC1 329848539 RNWVFIDXVPWPGI-HNNXBMFYSA-N 259.305 3.838 30 20 CHED OC1=N[C@H](/C(O)=N/C2(c3ccc(F)cc3)CC2)CCCC1 329876156 HNSNWZREWWMWGC-ZDUSSCGKSA-N 290.338 3.670 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C(C)(C)C1CCCC1 330621727 MVFWGHDREXQIBO-UHFFFAOYSA-N 285.391 3.755 30 20 CHED CCc1cncc(/C(O)=N/[C@@H]2CCCO[C@H]2CC(C)C)c1 330950316 JLABIMSBYFYUER-CVEARBPZSA-N 290.407 3.542 30 20 CHED CC(C)n1cc(C(O)=Nc2ncc(C(C)(C)C)s2)cn1 330984874 WNVRREOSQGSQKX-UHFFFAOYSA-N 292.408 3.854 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)CC(C)C 331421073 FBYNXGBHXCXSKZ-LZLYRXPVSA-N 284.403 3.543 30 20 CHED Cc1c(C(=O)N2CCCC(C)(C)[C@H]2C#N)oc2ccccc12 332201712 DJMVNTCCUQEQFG-OAHLLOKOSA-N 296.370 3.896 30 20 CHED CC[C@@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)CC1 332264309 BDPDABPPVMKEAA-QQFBHYJXSA-N 291.439 3.538 30 20 CHED CCN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCC1 334985534 FBXZSJZLZQKRAA-QGZVFWFLSA-N 297.402 3.520 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2F)c1 335327527 YUYRXTIUTAKNEH-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C1CC2(CCC2)C1 335456552 XPDMFNLICIUXSY-UHFFFAOYSA-N 288.778 3.925 30 20 CHED CC(C)(C)c1csc(NC(=O)c2cc(C#N)cs2)n1 335864133 LJNBYGRHBJYGBO-UHFFFAOYSA-N 291.401 3.626 30 20 CHED C=C(C)CNCc1cnc(-c2ccsc2)s1 336688776 VVHFBDNWPFYDBB-UHFFFAOYSA-N 250.392 3.537 30 20 CHED CSc1cccc(NC(=O)c2cccc(C#N)c2C)c1 337858561 MIQSFALUOUBSDJ-UHFFFAOYSA-N 282.368 3.841 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cc(C#N)cc(C)n2)C12CCCCC2 342366183 WKMRIQKLQGPKGZ-HZPDHXFCSA-N 299.418 3.802 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cccc2cccnc12 343259798 ODVGALIDHHYHGN-CQSZACIVSA-N 282.387 3.638 30 20 CHED C=CC[C@H](C(=O)NCc1occc1C)c1ccccc1 343577542 CLWNWKKJVVDWTE-HNNXBMFYSA-N 269.344 3.564 30 20 CHED CSCC[C@](C)(C#N)NC(=O)[C@H](C)CCC(C)(C)C 344689239 YRAINAIDPINMHR-IUODEOHRSA-N 284.469 3.600 30 20 CHED CCCN(CC#N)C(=O)c1ccc(Oc2ccccc2)cc1 345579047 AOYSQJGHGDCVDZ-UHFFFAOYSA-N 294.354 3.855 30 20 CHED CC[C@@H]1C[C@H](CC(=O)N(CCC#N)C(C)(C)CC)CCO1 348541239 SHUDUEZHHILJKM-HUUCEWRRSA-N 294.439 3.513 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)CCC#N)C1 351187067 VNVSZFYIBDSONV-HRCADAONSA-N 256.393 3.865 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1ccc3ncccc3c1)CC2 353624901 GCTWMLSCRSBMFU-HXUWFJFHSA-N 299.377 3.884 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCC2(CCCC2)C1)OCC 354239678 PDRXRTLOMAYTST-HNNXBMFYSA-N 279.424 3.541 30 20 CHED C=CCOCCCSCc1csc([C@@H](C)OC)n1 359131875 MPGMJMFYMUHFBA-LLVKDONJSA-N 287.450 3.676 30 20 CHED CC1CCC(CC(=O)N(CCC#N)Cc2cccnc2)CC1 359964226 OYXPMJLGUWAWRS-UHFFFAOYSA-N 299.418 3.540 30 20 CHED C=CCC[C@@H](CC)N[C@@H](CC(=O)N(C)C)c1ccccc1 360165422 XZAZUDGHRGVMBI-SJORKVTESA-N 288.435 3.540 30 20 CHED C=CCCC1(C(=O)Nc2cc(OC)ccc2OCC)CC1 361688759 YAGLXQJSNRSDEP-UHFFFAOYSA-N 289.375 3.779 30 20 CHED C=C[C@H](C)NC(=O)Nc1cnn(-c2ccccc2)c1C(C)C 362998909 ZOAZALFMYUKKMN-ZDUSSCGKSA-N 298.390 3.692 30 20 CHED N#CCSCCCN1CCC[C@H]1/C=C/c1ccccc1 378601016 ZGGFJJPCPJHSSF-FVNWOWOISA-N 286.444 3.811 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CC12CCOCC2 395643973 GCURDSCWRUMPOD-CYBMUJFWSA-N 296.292 3.558 30 20 CHED C[C@@H]1Cc2ccccc2N(Cc2ccc(CC#N)cc2)C1 399125922 KEURSPHWBLKUQH-OAHLLOKOSA-N 276.383 3.951 30 20 CHED N#Cc1ccc(NCC2CCC(F)(F)CC2)cc1 409672919 LEZZNWLEWBRRGE-UHFFFAOYSA-N 250.292 3.796 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C(C)C)[C@H](C)c1ccccc1 410898054 VBMZTJYXEYYYFB-CVEARBPZSA-N 289.419 3.966 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(CC#N)cc1Cl 411011876 FSIUHKKWOCNUAE-OAHLLOKOSA-N 276.767 3.947 30 20 CHED C=CCCC1(C(=O)NC[C@H](CC)CC(F)(F)F)CC1 412644114 CCJWRCBUVMECJP-LLVKDONJSA-N 277.330 3.828 30 20 CHED C[C@H](CCC#N)Sc1n[nH]c(/C=C/c2ccccc2)n1 412987612 JUTXNOXOBSDKBU-BZYZDCJZSA-N 284.388 3.759 30 20 CHED N#CCCSCc1nnc(-c2ccccc2Cl)o1 413017565 ZBDSBYHFTSCMFY-UHFFFAOYSA-N 279.752 3.537 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)Cc2cccc(C3CC3)c2)C1 413471319 NQZVXGJGEBSBDT-LIRRHRJNSA-N 296.414 3.695 30 20 CHED C=C[C@H](Cc1nc([C@@H](N)CC(C)C)no1)c1ccccc1 414616853 KLLDMPQQPUYIEX-HIFRSBDPSA-N 285.391 3.628 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)s1 416104932 KFLJEFQRJJQDAB-HNNXBMFYSA-N 296.395 3.736 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419615989 RPLOWWZYWWRMEZ-QGZVFWFLSA-N 297.402 3.543 30 20 CHED Cc1c(NC(=O)CCCC(C)(C)C)ccc(C#N)c1C#N 421561146 RYXIYOZSGZGUMB-UHFFFAOYSA-N 283.375 3.893 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cc(F)ccc1SC 424707808 MXARKRRUFMNEHS-UHFFFAOYSA-N 281.396 3.766 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 424717527 WMJFSVGKIHABLB-HOCLYGCPSA-N 271.404 3.993 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425449844 TZHIOSFKAWMOTR-JONQDZQNSA-N 291.439 3.583 30 20 CHED CC[C@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 425935804 JYBPLAGWOWJEFO-WNHJNPCNSA-N 298.430 3.540 30 20 CHED C=CCC(C)(C)c1nc(C2CCSCC2)no1 426452173 XNAMBVYBCFMZKZ-UHFFFAOYSA-N 252.383 3.534 30 20 CHED Cc1noc(C)c1CSCc1cccc(F)c1C#N 427533373 IAKZLCRBCFKBJR-UHFFFAOYSA-N 276.336 3.736 30 20 CHED C=CCN(C)C(=O)N[C@H]1c2ccccc2CCC[C@H]1C 430328242 NMASSLOVZPXMRG-CZUORRHYSA-N 272.392 3.528 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(Cl)s1 431906347 XSIRAJIXMDQBOP-UHFFFAOYSA-N 257.786 3.620 30 20 CHED C=CCN(CCC1CCOCC1)CC1CCCCC1 432818742 DWJPZHOAQFKPPX-UHFFFAOYSA-N 265.441 3.871 30 20 CHED C=CCC[C@@H](NC(=O)NCC1(C)CC1)c1ccccc1 435110356 IYSSXTRYUMCVSY-OAHLLOKOSA-N 272.392 3.793 30 20 CHED CCCn1c(C)nnc1SCCCCC(C)(C)C#N 436199122 SAKUFZBKOWKDED-UHFFFAOYSA-N 280.441 3.809 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1C1CCCCC1 437857527 HGUASTXEKRPSMU-FUHWJXTLSA-N 292.467 3.502 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CC[C@H](C#N)C1 442708451 JFGMRHNSBXOIJH-YDHLFZDLSA-N 272.392 3.883 30 20 CHED Cc1cc(NC(=O)Nc2ccc(F)c(C#N)c2)cc(C)c1O 443609845 NKPHVAVRMIVRRE-UHFFFAOYSA-N 299.305 3.664 30 20 CHED C=CC[C@@H]1N(Cc2nc(CCC)no2)CCCC1(C)C 444773464 DNSYDPKEFUOFHN-ZDUSSCGKSA-N 277.412 3.589 30 20 CHED CC(C)CN(CC#Cc1cccc(Cl)c1)C1CC1 446770202 UAQGTKMLBMLMAV-UHFFFAOYSA-N 261.796 3.812 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(OC3CCCC3)nc2)C1 446814189 JPZNYMQGLBJKNF-ZIAGYGMSSA-N 285.391 3.897 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(Cn2ccnc2)cn1 449317174 BPCHFTXSAAMBBH-HNNXBMFYSA-N 284.407 3.873 30 20 CHED C=C(CC)CNCc1ccc(OCCC)c(OC)c1 449729819 BQTRHAQZYNCVAG-UHFFFAOYSA-N 263.381 3.540 30 20 CHED C=C(C)CN(CC1=CCCCC1)Cc1ccc(CO)o1 450981125 HKMDARVNDUQVEJ-UHFFFAOYSA-N 275.392 3.650 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Oc1ccc(SC)cc1 452778477 XVIFSAAMAACFER-GFCCVEGCSA-N 293.432 3.504 30 20 CHED CC[C@H](C)Oc1ccc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)cc1 453105741 CINXFVFMVFITGM-PRXAMGSTSA-N 297.358 3.715 30 20 CHED CC[C@H](N[C@H](C)c1nccn1CC)c1ccc(C#N)cc1 453353219 NNOJQVUSCQBYNM-CJNGLKHVSA-N 282.391 3.577 30 20 CHED C=CCC[C@@H](NC(=O)N[C@H]1CCC[C@H]1F)c1ccccc1 454693669 MLHLALCHLDZGEK-OAGGEKHMSA-N 290.382 3.884 30 20 CHED C=C(CC)CNC(=O)c1scc(C)c1Br 456809455 BQMGXSAHYYECNC-UHFFFAOYSA-N 288.210 3.515 30 20 CHED CCS[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)C(C)C 456963374 KHTZPWQHKPDNAZ-CQSZACIVSA-N 276.405 3.583 30 20 CHED C=C(C)COc1cccc(NCc2cc(C)on2)c1 459361836 WPGYDJUMQYPWSD-UHFFFAOYSA-N 258.321 3.550 30 20 CHED Cc1ccc(Cl)c(NC(=O)NCC(C)(C)CC#N)c1 459444033 QMTZDIFYVJWNAH-UHFFFAOYSA-N 279.771 3.710 30 20 CHED COc1ccc([C@@H](C)[C@H](C)NCC(C)(C)CC#N)cc1 459729579 KDVWTUTYQDLQIX-KBPBESRZSA-N 274.408 3.717 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1Cc2ccccc21 460371223 AJHPAVGOEJNPGA-MRXNPFEDSA-N 257.377 3.531 30 20 CHED CC#CCCCC(=O)N(CCC)[C@H]1CCc2ccccc2C1 466432643 YMFUZKAGGZLKSX-IBGZPJMESA-N 297.442 3.976 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)Cc1ccccc1 466535969 KNXHXKCTKNUAGC-HNNXBMFYSA-N 259.393 3.726 30 20 CHED CC1(C)Cc2cc(NC(=O)c3ccc(C#N)s3)ccc2O1 469443292 UXCIDSYGFUWSIM-UHFFFAOYSA-N 298.367 3.586 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(C(C)C)[nH]n2)CCCC1(C)C 470302176 FMIYQWKKKVTFSO-HNNXBMFYSA-N 289.423 3.740 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)C1CCCCC1)OCC 470409273 QMMSGQPWWLLWOH-GOEBONIOSA-N 281.440 3.785 30 20 CHED CC(C)(C#N)CCCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 476484677 PWOKGUOFJGHGMG-UHFFFAOYSA-N 298.346 3.788 30 20 CHED C[C@H](NC(=O)NC1[C@H](C)CCC[C@H]1C)c1ccc(C#N)cc1 477767824 QGDNJWCOBJVFHB-MCIONIFRSA-N 299.418 3.743 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N(C)Cc1ccccc1 478889341 OZENRCKJDWDFRO-UHFFFAOYSA-N 294.398 3.927 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC(C)(C)C[C@H]1C 484217751 FPSAUCOOOLRYEF-KGLIPLIRSA-N 264.413 3.585 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C1CCC(C(C)C)CC1 486092941 RSPIJWUURWLPKK-BHUNQDJPSA-N 293.451 3.641 30 20 CHED C=CCCCS(=O)(=O)N[C@@H](CC(C)C)c1ccccc1 489035278 CRZAVBWDRUNXSC-INIZCTEOSA-N 295.448 3.659 30 20 CHED CCCCC[C@H]1CCCN1C(=O)c1cc(C#N)cs1 489302436 UMRUOKRTEOXPNB-ZDUSSCGKSA-N 276.405 3.805 30 20 CHED C[C@H]1CN(Cc2ccc(F)cc2C#N)c2ccccc21 489627124 ZDYLJCFOUMKGDN-LBPRGKRZSA-N 266.319 3.821 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CC[C@H](CC)CC1 490026960 CAQOBIHRHVUNHS-HDJSIYSDSA-N 251.414 3.921 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(F)c(F)c(F)c1 495127541 MWLLIVIMAZBRAC-UHFFFAOYSA-N 295.304 3.928 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)CCOc1ccccc1C#N 497596344 AHIMVNWWCZWOJQ-AWEZNQCLSA-N 298.361 3.769 30 20 CHED C[C@H](C#N)CN(C)CC(c1ccccc1)c1ccccc1 507584516 RJZHHCRRYJAZEL-MRXNPFEDSA-N 278.399 3.910 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CC2(C)CCCCC2)C1 511851534 IDQPODOWEXZQPW-YOEHRIQHSA-N 276.424 3.936 30 20 CHED C=C(CNC(=O)N(C)CC1CCCC1)c1ccccc1 512674053 VBAKETODKXHVCJ-UHFFFAOYSA-N 272.392 3.531 30 20 CHED C=CCNC(=O)NCC1(c2cccc(F)c2)CCCCC1 513889059 LQERMDLTPGYTAR-UHFFFAOYSA-N 290.382 3.513 30 20 CHED C=CCN(CCOCCCC)Cc1ccccc1F 515772491 KNNXFSJTLMNTPX-UHFFFAOYSA-N 265.372 3.630 30 20 CHED C[C@H](CNC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 520489939 KSPKUDUWVQSJSH-GFCCVEGCSA-N 297.333 3.623 30 20 CHED CCC[C@H](CC)NC(=O)Nc1cc(C#N)ccc1OCC 521693455 ZKXUHKWWZHUQRF-ZDUSSCGKSA-N 289.379 3.657 30 20 CHED C=CC1CCN(C(=O)CCc2ccnc3ccccc23)CC1 522965422 ZEVIYNGTBALQKL-UHFFFAOYSA-N 294.398 3.592 30 20 CHED C=C(C)CN(C)CC1(c2ccc(Br)cc2)CC1 524991376 VZCGWLIBKBSGGE-UHFFFAOYSA-N 294.236 3.989 30 20 CHED C=C(C)COc1cccc(NC(=O)NCC2CC=CC2)c1 528967123 UPLJDTQJPYSWRE-UHFFFAOYSA-N 286.375 3.729 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)C[C@H](C)c1ccccc1)OCC 535126138 RNJUCVCWMFXPAF-DOTOQJQBSA-N 289.419 3.620 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cc(C)ccc1O 535317226 DGRWOFVJMOLQCE-UHFFFAOYSA-N 299.345 3.668 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCC[C@H](C(C)C)C1)OCC 535908698 AURQODBUBAPHNX-XHSDSOJGSA-N 281.440 3.689 30 20 CHED C=CCCOCCCCC(=O)NC1C[C@H](C)C[C@@H](C)C1 537202018 ZPGRHIJDARIXAL-HUUCEWRRSA-N 281.440 3.690 30 20 CHED Cc1ccc(O[C@@H](C)CN[C@@H](C)c2ccc(C#N)cc2)cc1 538392974 FQIIJOBROVKOAT-HOTGVXAUSA-N 294.398 3.985 30 20 CHED CC(C)[C@H](NCCSCc1ccccc1C#N)C1CC1 539077164 ZBMCNFGKHDVVHZ-KRWDZBQOSA-N 288.460 3.816 30 20 CHED C=CCC[C@H](O)CN[C@H](c1cccc(C)c1)C(C)(C)C 539339918 PTHNTUZDGKAIFC-DLBZAZTESA-N 275.436 3.999 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 539919292 FMTXEXVVVAECCA-WHOFXGATSA-N 295.386 3.507 30 20 CHED C=CCCOCCCCC(=O)NC[C@H]1CCCC[C@@H]1C 540498222 SHRSLBDMCGWSKJ-JKSUJKDBSA-N 281.440 3.692 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(Cl)cc1OC 542854767 TXWHQWGDBFQSRY-ZDUSSCGKSA-N 296.798 3.503 30 20 CHED C[C@@H](c1ccc(F)cc1)[S@@](=O)CCC(C)(C)C#N 547484708 SRVLTMDOZILSGO-VOJFVSQTSA-N 267.369 3.575 30 20 CHED C=CCC(C)(C)CNC/C=C/c1ccccc1[N+](=O)[O-] 550225763 PFHCYUUBBAVNED-VQHVLOKHSA-N 274.364 3.800 30 20 CHED C=CCN(CCC#N)C(=O)C1CCC(CCCC)CC1 553101905 JMPGUMGYABBGQL-UHFFFAOYSA-N 276.424 3.911 30 20 CHED C=CCOc1ccc(CN[C@@H]2CC[C@H]2C2CC2)cc1 554094418 DWZQFLDYFJAANO-DLBZAZTESA-N 257.377 3.530 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCc1cccc(F)c1)CC2 558497071 KETLOWXROPOGPF-SFHVURJKSA-N 280.346 3.517 30 20 CHED CC(C)C1CCC(N(C)c2ccncc2C#N)CC1 561340427 QRNJMJVUBCSGNW-UHFFFAOYSA-N 257.381 3.604 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1CC12CCCCC2 563770342 NKIAKPNBWVKOQP-AWEZNQCLSA-N 268.360 3.662 30 20 CHED N#Cc1ccc(CSc2ccc(C(F)(F)F)cn2)nc1 564275977 XLGVGLAQBVODIU-UHFFFAOYSA-N 295.289 3.659 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2ccc(C3=CCCC3)cc2)C1 564874789 KENXDBRMVGBAIR-SUMWQHHRSA-N 280.371 3.676 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@@H]2C=CCC2)cc1 568156868 HWLLEQZUAWRLLB-WBVHZDCISA-N 282.387 3.628 30 20 CHED CCC[C@H](C#N)NC(=O)c1[nH]c2c(Cl)cccc2c1C 568851254 ZHNGGLYCEVZCPD-SNVBAGLBSA-N 289.766 3.552 30 20 CHED C[C@H]1CN(CC#Cc2ccc(Cl)cc2)CCC1(F)F 574368129 CFICBSVMHBCAKD-LBPRGKRZSA-N 283.749 3.669 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCCc2ccccc21 577136068 PUZWTACBEOLBAH-KRWDZBQOSA-N 294.354 3.609 30 20 CHED C=CCN1CC[C@H](Oc2ccc(-c3ccccc3)cc2)C1=O 577520072 LZAZZUCGVYFOGU-SFHVURJKSA-N 293.366 3.519 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(Cc2ccc(C#N)cn2)C1 579854484 ATUSBSVKRMNJQF-FZKQIMNGSA-N 295.361 3.675 30 20 CHED C=C(C)CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F 581195785 OTWJCKAPXQGKMV-LBPRGKRZSA-N 288.269 3.754 30 20 CHED C=CCOCCN(CC)[C@@H](CC)Cc1ccccc1 582289211 ITDPUMPJHJDVNZ-KRWDZBQOSA-N 261.409 3.532 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)CCCCCC#N 588148729 KDHLACWILIHONJ-UHFFFAOYSA-N 278.783 3.772 30 20 CHED Cc1cccc(C(C)(C)NC(=O)CCCCCC#N)c1 588929600 ZBGKIWFCGKUMFB-UHFFFAOYSA-N 272.392 3.820 30 20 CHED N#CCCCCCC(=O)N1CCCc2c(F)cccc21 588937660 JLJMOAUHLOWXLM-UHFFFAOYSA-N 274.339 3.579 30 20 CHED CC(C)[C@H]1N(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1(C)C 590927499 FJKMEYFDBPVWHD-XJKSGUPXSA-N 299.418 3.695 30 20 CHED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1C[C@@H]1C 591241401 CQGOIHWRFJXNEK-RGXXSHLXSA-N 254.377 3.570 30 20 CHED C=C(C)CN1CCC(NC(=O)C[C@H](C)CC(C)(C)C)CC1 592075792 VBRLAXRFKIFDAX-HNNXBMFYSA-N 294.483 3.606 30 20 CHED C[C@@H](COCC1CC1)N[C@@H]1CCCCc2cc(C#N)ccc21 593719725 PNNROVRQUHGQSI-IFXJQAMLSA-N 298.430 3.730 30 20 CHED CSc1c(F)cccc1NCC1(CC#N)CC1 594715868 IPCNEOKOKHYBNH-UHFFFAOYSA-N 250.342 3.653 30 20 CHED CCOc1cccc([C@@H](C)NCCc2ccc(C#N)cc2)c1 595055209 AXISGDMKLHBLNB-OAHLLOKOSA-N 294.398 3.850 30 20 CHED C=CCCSCCN[C@H](C)c1cnn(C(C)(C)C)c1C 595060112 RRMVBSACSWMPIN-CYBMUJFWSA-N 295.496 3.906 30 20 CHED N#CC[C@H]1CCCN(c2ccnc3cc(F)ccc23)C1 596331595 RWCFDPMWYYTXID-GFCCVEGCSA-N 269.323 3.504 30 20 CHED CC1(C)CN(Cc2cc(C#N)ccc2F)[C@H]1c1ccncc1 596594855 WPPIMNBHWIUJJY-KRWDZBQOSA-N 295.361 3.675 30 20 CHED Cc1ccc(F)cc1NC(=O)CC1(C#N)CCCCC1 596626366 GUQIXTGLGPFEKG-UHFFFAOYSA-N 274.339 3.937 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 596648196 LARSSKKWLJZSCL-SNVBAGLBSA-N 295.745 3.637 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 596822123 DFQWYCHWFSYCKY-NXHRZFHOSA-N 298.430 3.654 30 20 CHED C=CCCC(=O)N(CCC)c1cc(Cl)ccc1C#N 598811848 NWKLLEWYPMSJCL-UHFFFAOYSA-N 276.767 3.921 30 20 CHED CCOC(=O)[C@@H](Sc1ccc(C#N)cc1)C(C)(C)C 600519820 GCIJXJFBOBCEQG-CYBMUJFWSA-N 277.389 3.628 30 20 CHED CCN(Cc1cccc(C#N)n1)[C@H](C)c1cccc(OC)c1 602444088 LMQRTQONXZPCRE-CQSZACIVSA-N 295.386 3.545 30 20 CHED C[C@H](CCC#N)CNCCSc1ccc(Cl)cc1 602503400 OKGCWNNQWRTXSW-GFCCVEGCSA-N 282.840 3.962 30 20 CHED COc1ccc(C(C)(C)CNC[C@@H](C)CCC#N)cc1 602547092 ZDRBINXLGXDUEV-AWEZNQCLSA-N 274.408 3.502 30 20 CHED Cc1ccsc1-c1cn(CCCC(C)(C)C#N)nn1 603258551 DMLIJMDYVSEURJ-UHFFFAOYSA-N 274.393 3.645 30 20 CHED C=CCCCN1CCC[C@@H]1c1ccc(OC)cc1OC 605149625 GKKLTXHQBZXREI-MRXNPFEDSA-N 275.392 3.807 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(F)c(C#N)c2)C1 609102538 IGPCAFIXVIBASK-NEPJUHHUSA-N 274.339 3.852 30 20 CHED COc1cc(CCNc2nc(C)cc(C)c2C#N)ccc1C 610160587 ZLZSENKWLDVCSE-UHFFFAOYSA-N 295.386 3.542 30 20 CHED CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 610496673 IRYQSVVJWXQNAD-XLAORIBOSA-N 296.414 3.722 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H](C)Cc1ccccc1Cl 611082063 GXRMZTSKTHAJBS-GXTWGEPZSA-N 292.810 3.573 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(C#N)cc1 611541166 DYNDSXNAQSGELE-CMPLNLGQSA-N 268.282 3.725 30 20 CHED COc1ccc2c(c1)CC[C@H](Nc1ccc(F)cc1C#N)C2 612098325 MMAMZNZEOSSMKA-INIZCTEOSA-N 296.345 3.675 30 20 CHED CC(=C\c1ccccc1)/C=C(\C)c1nc(C)c(C#N)c(O)n1 619095328 RGGJFERXTUHWHE-DSEBWEOJSA-N 291.354 3.869 30 20 CHED CC(C)[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CS1 619847286 NSFGBVSNFIXYJR-ZFWWWQNUSA-N 294.851 3.831 30 20 CHED C=CCCOCC(=O)Nc1ccc(Cl)cc1Cl 620235961 SGSOXNCTJGURPX-UHFFFAOYSA-N 274.147 3.525 30 20 CHED CC(C)(C)[C@@H]1CC=C(c2ccc(C#CCO)nc2)CC1 623168888 WRGCVLBWZMXNQR-MRXNPFEDSA-N 269.388 3.655 30 20 CHED C=CCCCC[C@@H](C)Nc1cnn(Cc2ccccn2)c1 648497899 WNBPXZSDNXEKNH-OAHLLOKOSA-N 284.407 3.873 30 20 CHED C=C(CC)CNCc1cnn(Cc2ccccc2Cl)c1 648840023 AGGNYIHEAXMECC-UHFFFAOYSA-N 289.810 3.641 30 20 CHED C=CCc1ccccc1OCc1cc2n(n1)CCCC2 650309012 DHUUCJIYZQDMTB-UHFFFAOYSA-N 268.360 3.527 30 20 CHED C=CCCN[C@@H](C)Cc1ccc(Br)c(F)c1 658115836 DVTIDBDOUYPTKG-JTQLQIEISA-N 286.188 3.685 30 20 CHED C=CCOc1ccc(C(=O)N2CCC3(CCC3)CC2)cc1 671876941 TZUQVNFHFVPDJS-UHFFFAOYSA-N 285.387 3.658 30 20 CHED C=CCN(C(=O)c1ccccc1Oc1cccnc1)C1CC1 680398899 XDBGUIDUWFCTEW-UHFFFAOYSA-N 294.354 3.665 30 20 CHED CCC[C@@H](C#N)NC(=O)c1sc2ccccc2c1Cl 701175782 IYLLOJLYCRRFMZ-VIFPVBQESA-N 292.791 3.977 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2F)Cc2ccccc21 725784693 LXXZTKGIIDAWBZ-GFCCVEGCSA-N 266.319 3.821 30 20 CHED C#CCCOC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 727041525 BGQPVTXPUAGDKZ-UHFFFAOYSA-N 282.126 3.655 30 20 CHED FC(F)(F)Oc1cccc(C=NNCc2ccccc2)c1 727971189 PCIRZSHSBOUUBV-UHFFFAOYSA-N 294.276 3.709 30 20 CHED C[C@@H](CCc1ccco1)NCc1ccc(O[C@H](C)C#N)cc1 728713277 WSQKVEWPROUXLO-LSDHHAIUSA-N 298.386 3.681 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1cc(C)ccc1Cl 729073386 VXXKOCRKCLQYDC-LLVKDONJSA-N 268.740 3.535 30 20 CHED Cc1ccc2c(c1)C(=NNc1cccc(C#N)c1)CC2 730947643 BBPYHCFPKXEPBE-UHFFFAOYSA-N 261.328 3.629 30 20 CHED C[C@H](CC#N)N(C)Cn1ccc(=S)c2ccccc21 731660838 WBYSZWUCHOBTQI-GFCCVEGCSA-N 271.389 3.562 30 20 CHED Oc1ccccc1/C=N\CCc1cc2ccccc2o1 739427548 UQZZBQXPUCPITO-PDGQHHTCSA-N 265.312 3.800 30 20 CHED Fc1cc(-c2cccs2)ccc1C=NNCC(F)F 740618450 QTTNAWFCRJBIQW-UHFFFAOYSA-N 284.306 3.743 30 20 CHED COc1ccc(CNC[C@H](C)c2cccc(F)c2)cc1C#N 742369510 ZQCCDXGRNDZEGM-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED Oc1cccc2c1CCCC2=NOCc1ccccc1 743434123 LGCSYNUBCOSBNJ-UHFFFAOYSA-N 267.328 3.649 30 20 CHED O=C(/C=C\c1coc2ccccc12)c1ccc(O)cc1O 746520248 MYLKMEYVHKAVBS-YVMONPNESA-N 280.279 3.740 30 20 CHED Cc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)nc1 746576309 MLXIFNCGNKVNBR-UHFFFAOYSA-N 294.276 3.960 30 20 CHED Oc1cccc(C=NOCc2ccc(C(F)(F)F)cc2)c1 746576850 QXVWAOPZWWHUIN-UHFFFAOYSA-N 295.260 3.962 30 20 CHED CC[C@H](SC)C(=O)[C@H](C#N)c1ccc2ccccc2n1 747200986 MZNHVRSAOPDRDF-DOMZBBRYSA-N 284.384 3.553 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CC(C)C 747825828 HNJXFUZVUXOSON-ZIAGYGMSSA-N 290.432 3.558 30 20 CHED CCCCCCCC(=O)Nc1cc(C#N)ccc1O 748002025 FXLIMFOLBONHKO-UHFFFAOYSA-N 260.337 3.563 30 20 CHED Cc1ccc([C@@H](C)C(=O)N[C@H](CCC#N)c2ccccc2)o1 749034148 FYOFSCQLLRFBIK-GDBMZVCRSA-N 296.370 3.853 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1cc(F)ccc1F 750396360 YOUJMCPYUKTLKJ-MRVPVSSYSA-N 293.294 3.816 30 20 CHED COc1ccc(NN=C(C)c2cc(F)ccc2F)cc1 750946579 VAFAHAJRXJSJAS-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CCCCCCCCCNC(=O)[C@H]1CSCCS1 750991034 ZONHMDWDWJDZQF-CYBMUJFWSA-N 289.510 3.702 30 20 CHED C#C[C@H](CC)NC(=O)N(CCC)[C@@H](CC)c1ccccc1 753242387 CGPHGSXBLFYYCM-SJORKVTESA-N 286.419 3.971 30 20 CHED C#Cc1cccc(N(C)C(=O)Cc2cccc(C)c2Cl)c1 754547452 JZNOTJPEJSKSST-UHFFFAOYSA-N 297.785 3.835 30 20 CHED Fc1ccc(NN=Cc2c[nH]nc2-c2ccccc2)c(F)c1 755464135 MJRKIXWFOSSDPZ-UHFFFAOYSA-N 298.296 3.801 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cccc2[nH]ccc12 755465332 HNIXRCYUNUFUHX-UHFFFAOYSA-N 280.287 3.522 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1ccccc1C#N)C2=O 755589395 RYMGPXSGBZFNRJ-SXGWCWSVSA-N 289.334 3.834 30 20 CHED Cc1csc(C=NNc2cccc(Br)c2)n1 755624158 HEIRBIOJBRTZQW-UHFFFAOYSA-N 296.193 3.660 30 20 CHED Cc1cccc(CC(=NO[C@@H]2CCCCO2)C2CC2)c1 755823613 MPVLAYLZJVPSLQ-QGZVFWFLSA-N 273.376 3.847 30 20 CHED CC1CC(C#N)(C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)C1 758181982 AYKZSVHAWHARRH-DIODGJHASA-N 290.451 3.895 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(F)ccc2O)cnc1Cl 760263935 IDARACPEXOBTMC-RQOWECAXSA-N 291.709 3.784 30 20 CHED C=CCCC(=O)COC(=O)CCCc1c[nH]c2ccccc12 761349379 PHQFVRAWTUINIW-UHFFFAOYSA-N 299.370 3.569 30 20 CHED Clc1ccc2c(c1)C(=NOCc1cccnc1)CC2 762453240 TWFMGMKZXBZPDG-UHFFFAOYSA-N 272.735 3.602 30 20 CHED C#CCCN1CC=C(c2cccc(Br)c2)CC1 762621600 APCYGYSADZVELP-UHFFFAOYSA-N 290.204 3.562 30 20 CHED CO[C@H](C)C(C)=NNc1ccc(Cl)c(Cl)c1 763163175 GXBOMYZIUUQRDU-MRVPVSSYSA-N 261.152 3.816 30 20 CHED N#CC1(COC(=O)c2c(Cl)cc(F)cc2Cl)CC1 763548676 USTFAMIMYVBVIW-UHFFFAOYSA-N 288.105 3.593 30 20 CHED C=C(Cl)COC(=O)[C@@H](CC)c1ccc(F)cc1 764647342 QBAMATIMUCNECT-LBPRGKRZSA-N 256.704 3.615 30 20 CHED C#CCN(C(=O)N[C@H](c1ccccc1)C(CC)CC)C1CC1 764676214 GSPSWGZZUORZRK-SFHVURJKSA-N 298.430 3.971 30 20 CHED Cc1ccc(CC(=NOCC(F)(F)F)C2CC2)cc1 764835675 NFAYZHWJLTYZNP-UHFFFAOYSA-N 271.282 3.882 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 767252666 QVEPBLRBAMCVIF-HERUPUMHSA-N 296.197 3.577 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1O 767259351 RJDRQILNKJJDCE-CYBMUJFWSA-N 287.403 3.733 30 20 CHED C#C[C@@H](CC)OC(=O)c1cccc(-c2csc(C)n2)c1 768047931 HQIUPCRIPUGHLO-AWEZNQCLSA-N 285.368 3.687 30 20 CHED CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCC1(C#N)CCC1 768077668 FYCKRXJPNBLTHO-KFWWJZLASA-N 293.407 3.597 30 20 CHED C[C@H](Cc1cccc(Cl)c1)C(=O)OCC1(C#N)CCC1 768090678 GXXJIWSYRVIBSV-GFCCVEGCSA-N 291.778 3.756 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)Cc1ccc(C#N)cc1 768191532 ZXOOYWQLDHHFRI-CQSZACIVSA-N 279.339 3.714 30 20 CHED Cc1cc(NN=C2C[C@H](c3ccccc3)C2(C)C)ncn1 768485645 UKOQCXBMVJRVGD-CQSZACIVSA-N 280.375 3.767 30 20 CHED Cn1c(NN=Cc2cscc2Cl)nc2ccccc21 771877798 ZHNSOOHPPLGRFR-UHFFFAOYSA-N 290.779 3.734 30 20 CHED CC(=NNc1nccnc1C(C)C)c1cccc(C)c1 773091472 QPMKLQOMLIZLJT-UHFFFAOYSA-N 268.364 3.745 30 20 CHED CCc1cnccc1[C@H](C)/N=C/c1ccccc1O 773147389 FRKNYKNGOJINAQ-HWQJWEFDSA-N 254.333 3.530 30 20 CHED CCOCCON=C1CCC[C@@H]1c1ccc(F)cc1 774413568 CNMIIKGGIPIPDM-CQSZACIVSA-N 265.328 3.502 30 20 CHED Fc1ccc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 774608729 UFDMHMMWYDAKOT-PKFCDNJMSA-N 266.747 3.591 30 20 CHED C#CC[C@H](NC[C@H]1CCOc2ccccc21)c1ccccc1 776252198 JTGOENKIVUAOBR-MJGOQNOKSA-N 291.394 3.907 30 20 CHED Cc1cccc(OCCCC(=O)OCCC(C)(C)C#N)c1 776353769 GYMIIXVDUQOETD-UHFFFAOYSA-N 289.375 3.637 30 20 CHED CC(C)(C#N)CCN[C@H](c1ccccc1)C1CCOCC1 776604530 CMACGAKIRGKIEX-QGZVFWFLSA-N 286.419 3.684 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCCOc2cc(F)ccc21 776725789 OUMXWOVGTVQWPA-BKQORJHRSA-N 285.318 3.864 30 20 CHED Cc1cccc(NC(=O)Cc2ccccc2CC#N)c1Cl 776977962 NVUOEWBFTUZZOV-UHFFFAOYSA-N 298.773 3.896 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1c(F)cc(C#N)cc1F 779276097 TXCJFESXRLTZOE-ISTVAULSSA-N 293.313 3.818 30 20 CHED Cc1ccc(NN=C2CC(C)(C)CC(C)(C)C2)nn1 779777068 QSRFFJOONQCCPF-UHFFFAOYSA-N 260.385 3.789 30 20 CHED CCO[C@H]1CC(=NNc2ccc3[nH]ncc3c2)C12CCCC2 779811021 BKCKZHODDQDGQZ-INIZCTEOSA-N 298.390 3.700 30 20 CHED C#CCCCCCC(=O)OCc1ccc(OC)c(Cl)c1 780013528 SHCAHSDSHHIJRO-UHFFFAOYSA-N 294.778 3.976 30 20 CHED O=C1c2ccccc2CN1N=Cc1cc2ccccc2s1 781594600 BTENUWYTRWFSEG-UHFFFAOYSA-N 292.363 3.891 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 783307339 CGUCDEVMIQZFCA-SOUVJXGZSA-N 296.455 3.576 30 20 CHED Cc1ccc(C)c(CC(=O)OCCCC(C)(C)C#N)c1 783439953 HAQPGEAMXHPXSX-UHFFFAOYSA-N 273.376 3.719 30 20 CHED Cc1noc(C)c1[C@H](C)CC(=O)OCCCC(C)(C)C#N 784367376 LHMAKAXTXYJTCV-LLVKDONJSA-N 292.379 3.658 30 20 CHED C=C[C@@](C)(CC)C(=O)OCCCCC(F)(F)F 785758534 BHZNLDPDESZQQB-NSHDSACASA-N 252.276 3.865 30 20 CHED COc1cc(NN=C(C)c2ccc(F)cn2)ccc1Cl 788467185 DZAMHJXRPJPWKT-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C/C=C(\CC)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 788788814 KFLHUYYKEOGUEX-YAXRCOADSA-N 284.403 3.899 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(C(C)(C)C)s1 791200314 RKVUTFNAVRGCST-LLVKDONJSA-N 263.406 3.577 30 20 CHED CCOc1ccc(/C=N/CCCc2cccc(C)n2)c(O)c1 794682316 UYPPUIAPFZJBIS-CPNJWEJPSA-N 298.386 3.546 30 20 CHED Cc1ccccc1/C=C1\COc2cc(F)ccc2C1=O 794727829 KILIKZYQLDOTEL-MDWZMJQESA-N 268.287 3.793 30 20 CHED C=C(C)CN(C/C=C\Cl)Cc1cnn(C(C)C)c1 796452635 WDRGUJNTWPNNFE-WAYWQWQTSA-N 267.804 3.595 30 20 CHED C/C(=C\Cl)CSc1ncc(C#N)cc1Cl 797830632 XVKGVHLBOAVCIC-XVNBXDOJSA-N 259.161 3.841 30 20 CHED C#CCCOc1ccc(CN[C@H](CC)CC=C)cc1 798502972 ZHSCFTKUIVELPI-MRXNPFEDSA-N 257.377 3.533 30 20 CHED CC(C)C[C@H](C)COC(=O)c1cccc(CC#N)c1 798596464 FQPIFQRAYPZFCU-ZDUSSCGKSA-N 259.349 3.592 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(OCC(F)(F)F)cc2)C1 799720510 ISLBAISEQZRZDH-ZYHUDNBSSA-N 284.281 3.732 30 20 CHED CSc1ccccc1[C@@H](C)OC(=O)CC(C)(C)C#N 800024598 XPJFOHDCYKRAST-LLVKDONJSA-N 277.389 3.953 30 20 CHED CC(C)SCCOC(=O)c1ccc(C(C)(C)C#N)cc1 803512164 JMRWCVUAXHNAKW-UHFFFAOYSA-N 291.416 3.786 30 20 CHED CC(C)c1[nH]ccc1C(=O)OCc1ccc(F)c(C#N)c1 803780148 WBKOODVNIHCMKV-UHFFFAOYSA-N 286.306 3.506 30 20 CHED C=CCCCCCCNC(=O)C(C)(C)c1cccnc1 805219038 SWCZKFXHQJJVHV-UHFFFAOYSA-N 274.408 3.612 30 20 CHED C#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C(C)(C)C 807878335 LTSPKNQAIBRAKB-ILXRZTDVSA-N 289.806 3.608 30 20 CHED c1cnc(C2CCC2)c(NN=C2CCC3(CC2)CC3)n1 807991667 RCJRGIWCJSIWKA-UHFFFAOYSA-N 270.380 3.866 30 20 CHED C[C@@H]1/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 809157848 WGLPBKQNADWKRF-YAFRSCOQSA-N 279.295 3.978 30 20 CHED C#C[C@@H](NCc1cnc(C2CCCC2)s1)C(C)C 809685248 JINORBDJGBWYKF-CQSZACIVSA-N 262.422 3.548 30 20 CHED CC[C@@H]1CC[C@@H](C)N1Cc1ccc(N(C)CCC#N)cc1 809768538 OGKPYMXLQMTZCB-NVXWUHKLSA-N 285.435 3.799 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 809975983 XZICRRTVSFAXCW-ZHALLVOQSA-N 295.426 3.686 30 20 CHED C=C[C@H](CC(=O)OCc1cccnc1C)c1ccccc1 810887337 MFLOUAPAWJBPQG-OAHLLOKOSA-N 281.355 3.793 30 20 CHED C=CCCCCCCCNC(=O)c1ccnc(C2CC2)n1 811590118 PVHXEGXWPLXYSJ-UHFFFAOYSA-N 287.407 3.610 30 20 CHED C#C[C@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1 811949329 UZTSVSAULMMCCO-KRWDZBQOSA-N 297.785 3.763 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccccc1 814572704 IBEUGVYQIBHOMH-CYBMUJFWSA-N 294.354 3.542 30 20 CHED c1ccc(OCCCNN=C2CC[C@@H]2C2CCC2)cc1 814838428 NBUYWJZTRNSTKL-MRXNPFEDSA-N 272.392 3.611 30 20 CHED CO[C@@](C)(C=NNc1ccc(Cl)c(F)c1)C1CC1 814862164 HPHHSHDBAJCQDM-ZDUSSCGKSA-N 270.735 3.692 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CCCC12CCCC2 814870487 FEWXSJVOZCQGKF-UHFFFAOYSA-N 274.324 3.502 30 20 CHED CC[C@@H](C=NNc1ccc(OC)cn1)c1ccccc1 814908214 KNKUJSWHNLBMQD-ZDUSSCGKSA-N 269.348 3.682 30 20 CHED FC(F)(F)CCON=C1CC[C@@H]2CNc3cccc1c32 814909804 KYCYHZFRLQJCAM-SECBINFHSA-N 284.281 3.663 30 20 CHED CC(=NOC1CCCCC1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814910633 ZXWSDBMPRCQLNT-OCCSQVGLSA-N 281.396 3.849 30 20 CHED CC[C@H](C)CON=Cc1ncc(C(C)(C)C)s1 814939451 RDQNOGGZPUKJBO-JTQLQIEISA-N 254.399 3.837 30 20 CHED CC(CC1CC1)=NNc1nnc(-c2ccccc2)s1 814947061 ADBJMQFGIDXTHK-UHFFFAOYSA-N 272.377 3.793 30 20 CHED C=CCC(C)(C)CN[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 815636925 GGFMMVRQSCQFCS-UONOGXRCSA-N 296.455 3.624 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1coc(C(C)(C)C)n1 821018539 HAHIUYVUFKFPAU-UHFFFAOYSA-N 265.353 3.618 30 20 CHED Fc1cccc(C=NOCCOc2ccccc2Cl)c1 824222885 PWDBCPOHVLOCTR-UHFFFAOYSA-N 293.725 3.909 30 20 CHED CC(C)(C)Oc1ccc(N[C@@H]2CCCOCC2)cc1C#N 824721273 BKXAVMWEQWDOKD-CQSZACIVSA-N 288.391 3.717 30 20 CHED CN(CCCCc1ccccc1)C(=O)C#Cc1cccs1 825315472 BPCVVQZLEICTLA-UHFFFAOYSA-N 297.423 3.581 30 20 CHED CCCCCCCCCN(C)C[C@@H]1CCNC(=O)CC1 827484064 OMWULXSJLUQZIU-INIZCTEOSA-N 282.472 3.585 30 20 CHED C#CCCCCCC(=O)Nc1cncc(Cl)c1C 833141468 DIROCWHQJASCTI-UHFFFAOYSA-N 264.756 3.566 30 20 CHED C=CCC[C@H](Nc1ccc(CN(C)C(=O)O)cc1)C1CC1 833373636 VLRUANLXNIZYFS-INIZCTEOSA-N 288.391 3.953 30 20 CHED CCCC[C@](C)(F)C(=O)N[C@H]1CCc2cc(C#N)ccc21 834678022 CQMSBQSCYQLQEP-RDJZCZTQSA-N 288.366 3.580 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 834902539 IQHMDBIOJPARID-GOSISDBHSA-N 277.367 3.541 30 20 CHED C#Cc1cccc(CN[C@@H]2CCc3ccc(C)cc32)c1 834902968 MLDZFNMBZAQBJC-LJQANCHMSA-N 261.368 3.753 30 20 CHED C#CCCCCCOC(=O)c1cc2ccncc2s1 835278198 MJBLTCDTQXIHQU-UHFFFAOYSA-N 273.357 3.647 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CC12CCOCC2 836868001 CJHGHKSQUBFEJL-HNNXBMFYSA-N 281.440 3.812 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C#CC(C)(C)C 837323615 POENPPHGQMPVPH-NSHDSACASA-N 279.330 3.534 30 20 CHED CC(C)(C)C#CC(=O)NC1CCC(c2ccccc2)CC1 837332560 LXQACPVMTHDLFP-UHFFFAOYSA-N 283.415 3.879 30 20 CHED C=CCCCC(=O)OCc1ccc(C(=O)OC)c(Cl)c1 837559523 PFVHKIVTVCFTPP-UHFFFAOYSA-N 296.750 3.526 30 20 CHED C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 837904401 YPGSSSNQUFKRGE-DYVFJYSZSA-N 269.344 3.765 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2nnc(C)s2)CCCCC1 838153312 FSLNNCNAARVCEO-LLVKDONJSA-N 294.420 3.977 30 20 CHED Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCCCC(C)C)nc12 838812118 FYPMISNYNHZTIR-CYBMUJFWSA-N 298.390 3.659 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)C2CCC2)n1 838812236 UWFPSPPSYHWDIS-PWSUYJOCSA-N 276.405 3.879 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@]1(C)CC=CCC1 839013558 PBTYBVPHOUMZEI-CXAGYDPISA-N 299.374 3.598 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(Cl)nc2Cl)C1 839444925 LFOSJLAJMDVXGV-DTWKUNHWSA-N 299.157 3.628 30 20 CHED C#C[C@@H](OC(=O)[C@H](c1cccnc1)C(C)C)c1ccccc1 842391160 JPHZFMSVYSWVQQ-MSOLQXFVSA-N 293.366 3.739 30 20 CHED C=CCOc1ccccc1C(=O)OC[C@H](C)CC(F)F 842440281 UQPHQVQGKHPHGH-LLVKDONJSA-N 284.302 3.700 30 20 CHED C=CCOc1ccc(CN2C[C@@H]3[C@H](C2)C3(F)F)cc1Cl 846111641 MPKKFQGIRZHMQX-TXEJJXNPSA-N 299.748 3.602 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccnn1CC1CC1)CC2 849247900 YUDFFDLWOFAUDO-LFIBNONCSA-N 292.382 3.814 30 20 CHED CC(C)(F)CCNC(=S)Nc1ccc(C#N)c(Cl)c1 849291838 NBOZKMMXXSVFQO-UHFFFAOYSA-N 299.802 3.636 30 20 CHED C=C(Cl)CSCC(=O)Nc1ccc(CC)cc1 853782743 LMSJFHSBNWVJQF-UHFFFAOYSA-N 269.797 3.673 30 20 CHED CC(C)[C@@H](C#N)c1ccc(-c2ccc(O)nc2F)cc1 854189866 RCHBLCOHZFYVPW-CQSZACIVSA-N 270.307 3.856 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N(C1CC1)[C@@H](C)C#N 855582369 GLORKPOYYVMWKJ-OBIHZWKSSA-N 288.778 3.646 30 20 CHED C/C(=C/C(=O)NCC(C)(C)CCC#N)c1cccs1 857259218 QUMKYKLKIINBQN-BENRWUELSA-N 276.405 3.598 30 20 CHED C=C[C@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 857658597 KKBHTIZEHZFINS-WFVVYAPDSA-N 298.382 3.852 30 20 CHED FC(F)(F)C(F)(F)CNN=Cc1coc2ccccc12 863181600 RUIQCOJRSTUNRI-UHFFFAOYSA-N 292.207 3.554 30 20 CHED C#CC[C@@H](CCOC)NC(=O)c1ccc(C2CCCC2)cc1 863782646 YFOZDQZSJAVESJ-SFHVURJKSA-N 299.414 3.502 30 20 CHED Fc1ccc(CON=Cc2c[nH]c3ccccc23)cc1 864952759 KMZQJPYGBFCWQU-UHFFFAOYSA-N 268.291 3.858 30 20 CHED C=CCC1(O)CCN([C@@H]2CCc3c(Cl)cccc32)CC1 886774792 VUVIEGYBTMAEFT-MRXNPFEDSA-N 291.822 3.730 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1c(F)cccc1F 888362482 YDSLXNRBZBYAHY-UHFFFAOYSA-N 253.292 3.530 30 20 CHED C=C1CC(c2noc(C3(c4cccc(F)c4)CC3)n2)C1 896882399 KIHUZOTVMZCEJD-UHFFFAOYSA-N 270.307 3.722 30 20 CHED C=C1CC(c2noc([C@H](C)Oc3ccccc3)n2)C1 896890119 HXNVSIZERCPYRH-NSHDSACASA-N 256.305 3.643 30 20 CHED CCC(=NNc1cc(F)ccc1F)c1c(C)nn(C)c1C 901319673 CXOIEKQOEADQGZ-UHFFFAOYSA-N 292.333 3.541 30 20 CHED C=CCCC[C@@H](N)C(=O)Nc1c(C)cccc1C(C)C 911937859 YVOSCQCUHVGMDE-OAHLLOKOSA-N 274.408 3.741 30 20 CHED CCOCc1ccccc1C/N=C\c1cc(OC)ccc1O 914600405 UIIQJMGQENGNRV-UNOMPAQXSA-N 299.370 3.556 30 20 CHED CCC/C(C)=C/C(=O)Nc1ccc(C#N)c(Cl)c1 920214698 MXVKUDZIJVWXAB-JXMROGBWSA-N 262.740 3.897 30 20 CHED Fc1cc(F)cc(NN=Cc2cnn(-c3ccccc3)c2)c1 920375069 RBBYVXXSRIWIIP-UHFFFAOYSA-N 298.296 3.597 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1nc2ccccc2[nH]1 921253974 UMIUURRKUKYYIB-UHFFFAOYSA-N 276.343 3.634 30 20 CHED Cc1cc(C)cc(C=NNCc2cccc3cccnc23)c1 921257994 DJNDXJLQGSUHAY-UHFFFAOYSA-N 289.382 3.975 30 20 CHED Cc1ccc2sc(C(=O)N3CCC[C@H](C#N)C3)cc2c1 928216940 ZUXUDTCLXKOFOB-GFCCVEGCSA-N 284.384 3.586 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCC[C@H]1C(C)C 933065610 FCIXWBCFINYNEQ-INIZCTEOSA-N 270.376 3.517 30 20 CHED C=C[C@H](CC)CC(=O)N1CCn2c(Cl)ccc2[C@H]1C 936008652 ROOJXRBVSNFDDC-VXGBXAGGSA-N 280.799 3.647 30 20 CHED C=CCC(C)(C)c1nnc(CCc2ccccc2)o1 1118372212 RZYCRCVUKFZXRK-UHFFFAOYSA-N 256.349 3.709 30 20 CHED N#Cc1nc(N2CCc3cc(Cl)ccc32)ccc1Cl 1164309630 CIZLTPIMAAIGRL-UHFFFAOYSA-N 290.153 3.954 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1CCOc1cccc(C#N)c1 1168124282 DCYHQUFYOYDDHR-YJBOKZPZSA-N 286.419 3.838 30 20 CHED CN(CC1CCC1)c1c(C#N)cnc2c(Cl)cccc12 1187799924 YKMLCJBMVKJIKS-UHFFFAOYSA-N 285.778 3.996 30 20 CHED Cc1ccc(CN2CCc3c(C#N)cccc32)c(C)c1 1195313606 CYDBMZRNASGBTA-UHFFFAOYSA-N 262.356 3.738 30 20 CHED COc1cc(C)ccc1CN(CCC#N)CC(C)(C)C 1204496928 KIBNLLLPLGWCER-UHFFFAOYSA-N 274.408 3.765 30 20 CHED CCSc1ccccc1CN1CCC(CC#N)CC1 1249439972 PVBFNAQJLNFWPZ-UHFFFAOYSA-N 274.433 3.924 30 20 CHED CN(C)c1cccc(Cl)c1C=NNc1ccc(F)cc1 1253804609 CNYONWGLSMYGQX-UHFFFAOYSA-N 291.757 3.991 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cnc(Cl)cc1C#N 1262797643 VHDGSDZHQFMFMS-SNVBAGLBSA-N 279.771 3.617 30 20 CHED COc1c(C)ccc(NC(=O)c2cc(C#N)ccc2F)c1C 1264491452 DDLXGCAKAKMNIG-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)n(CC3CC3)c2C)c1 1318318897 QSPWZVGJTUPFDN-UHFFFAOYSA-N 292.382 3.749 30 20 CHED CCCC(CCc1ccccc1)=NNCC1CCOCC1 1319038190 GOPPMNQKQZFNLI-UHFFFAOYSA-N 288.435 3.792 30 20 CHED C=CCCC(=O)COC(=O)c1ccc2cc(OC)ccc2c1 1319787946 SEIZYBVHVIIJMZ-UHFFFAOYSA-N 298.338 3.541 30 20 CHED Cc1ccc(CSCc2cc(F)ccc2C#N)nc1 1319856784 FMAFKFLKJKCUTA-UHFFFAOYSA-N 272.348 3.834 30 20 CHED CSc1ccc(F)cc1CNc1cccc(CC#N)n1 1320363682 HNOGUTZCNUPMEA-UHFFFAOYSA-N 287.363 3.621 30 20 CHED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1cncs1 1320756077 WZJQRZOAIPRABK-YVMONPNESA-N 284.384 3.639 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H]1c1cccc(F)c1 1321282239 SJYOMAQWWNKHMZ-KRWDZBQOSA-N 294.329 3.593 30 20 CHED C=CCCOC(=O)c1c(C)c(C)nc2ccccc12 1326599638 HMVGMBDQUAWPRW-UHFFFAOYSA-N 255.317 3.585 30 20 CHED CCCCS[C@@H](C)C(=O)OCCc1ccc(C#N)cc1 1327978657 PVSKPIUZHDLHII-ZDUSSCGKSA-N 291.416 3.566 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 1332609296 ITYVZYWOUXEBMI-HZPDHXFCSA-N 282.387 3.519 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCSc2c(F)cccc21 1335666789 UYSJFVDZUHNLGZ-ZDUSSCGKSA-N 279.380 3.835 30 20 CHED N#CC1(CN2CCC(c3cc4ccccc4[nH]3)CC2)CC1 1337261970 MKJLNPJLKDWIMX-UHFFFAOYSA-N 279.387 3.651 30 20 CHED Cn1ccc(NN=Cc2cccc(Oc3ccccc3)c2)n1 1338903747 VABYRZSTJGRHPQ-UHFFFAOYSA-N 292.342 3.658 30 20 CHED CC(=O)c1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1C 1344245605 KURKDEYQCJPFPK-LBPRGKRZSA-N 287.359 3.683 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC=CCC1)c1nc2cccc(Cl)c2[nH]1 1347391997 PJIJOMIWCYZPLW-GHMZBOCLSA-N 299.761 3.749 30 20 CHED C=C(CC)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1348223552 WCJSLXQYIMGURJ-MLGOLLRUSA-N 273.376 3.571 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C23CCC(CC2)CC3)C1 1349718789 UOHHOFUUJDPFRO-IQXANGCESA-N 261.365 3.582 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CC2(CC2)C1 1350944950 VIWPZVNCGUFHTA-HNNXBMFYSA-N 281.440 3.501 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2F)C1 1435089426 UOIVKJJNXDXWDR-KGLIPLIRSA-N 288.366 3.642 30 20 CHED N#Cc1cccc(S[C@@H]2CCOc3ccccc32)n1 1458249021 SZGQQALLYAZRDA-CQSZACIVSA-N 268.341 3.569 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)[C@H](CC#N)c1ccccc1 1460390797 RAKIXFBUYYICFR-OAHLLOKOSA-N 286.419 3.872 30 20 CHED Cc1cc(NCc2ccccc2Cl)ncc1C#N 1472641148 VCGFQIXHXXAYSE-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1cc(C(=O)OC2(CC#N)CCC2)c(C)n1CC1CC1 1518320869 ARNZRHXDGCKBGU-UHFFFAOYSA-N 286.375 3.508 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)Cc2ccccc2)c1 1525310729 LRVOHRMJUKSCCB-AWEZNQCLSA-N 278.355 3.684 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 1533708900 ZUXZUDIDUQGNLZ-GJZGRUSLSA-N 276.424 3.793 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(C(=O)O)c1Cl 1588439179 IMXMTEJGFCNHDV-UHFFFAOYSA-N 299.729 3.718 30 20 CHED Cc1cc(F)c(C#N)c(N[C@H](CCC(C)(C)C)C(=O)O)c1 1594308983 IYNSELJMNLRDNF-CYBMUJFWSA-N 292.354 3.697 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc3c(c2)CCC=C3)C1 1596978154 LSNFARUFQRMAMI-SUMWQHHRSA-N 281.355 3.885 30 20 CHED O=C(O)c1coc(C=NNc2ccc(Cl)cc2Cl)c1 1602553840 MROXHGRFQWQOML-UHFFFAOYSA-N 299.113 3.731 30 20 CHED C#Cc1ccc(NCc2csc(C(=O)O)c2)c(Cl)c1 1602738588 HNFQUOVMCNZFNG-UHFFFAOYSA-N 291.759 3.693 30 20 CHED CCS[C@H]1CCC[C@@H]1NCc1ccc(Cl)cc1C#N 1645559130 WWGJSWOHRPLTTG-GJZGRUSLSA-N 294.851 3.975 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CCC[C@@H]2CCC(C)C)n1 1651482322 FQODUYIPVYKWHN-HIFRSBDPSA-N 286.423 3.927 30 20 CHED Cc1cc(NCc2cc(C#N)ccc2F)nc(C2CCC2)n1 1655182297 VISBVVWSKUTKHL-UHFFFAOYSA-N 296.349 3.675 30 20 CHED N#Cc1c(Cl)nsc1NC[C@@H]1CCC[C@@H]1C1CC1 1655567664 XLCVSDMWFOEOMD-VHSXEESVSA-N 281.812 3.906 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)Nc1ccc(F)c(C#N)c1 1658947644 JULJUCHHSNUIKB-UHFFFAOYSA-N 291.370 3.891 30 20 CHED CC[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1672409930 FGZXMDWSOFOYMO-MRXNPFEDSA-N 297.333 3.970 30 20 CHED C[C@H](CCC1CC1)NC(=O)Nc1cc(C#N)c(F)cc1F 1680088709 VMQJUBYDBWCVGN-SECBINFHSA-N 293.317 3.537 30 20 CHED C=CCCC[C@H](NCc1ccc(C)c(C2CC2)c1)C(=O)O 1776171136 UNUMDZODDZXIIF-KRWDZBQOSA-N 287.403 3.772 30 20 CHED N#Cc1ccnc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1 342550354 XLGOJHPJPUZJAZ-RYUDHWBXSA-N 283.297 3.734 30 20 CHED C[C@@H](NC(=O)CC1=CCCCC1)c1ccc(C#N)cc1 106610689 IMCIYBFLGOMGKJ-CYBMUJFWSA-N 268.360 3.626 30 20 CHED C=CCOc1ccccc1CNCc1ccc(F)cc1F 50198631 VDLXHLHAGWGORG-UHFFFAOYSA-N 289.325 3.819 30 20 CHED CC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 109739469 HQVZGLUPRQRFAX-UHFFFAOYSA-N 298.729 3.667 30 20 CHED C[C@H](NC(=O)c1ccccc1Cl)c1ccc(C#N)cc1 26136036 DOUMXKAQENRGFH-NSHDSACASA-N 284.746 3.703 30 20 CHED N#CCCCOC(=O)c1cc2c(s1)-c1ccccc1CC2 21976228 COPSYTOXXKIXCQ-UHFFFAOYSA-N 297.379 3.974 30 20 CHED C/C=C/C=C/C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 66396460 KOHVXYLKLQALFQ-BITZQCGMSA-N 282.387 3.797 30 20 CHED N#Cc1cccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)c1 106503504 VZQLYXOFFWGPRC-INIZCTEOSA-N 295.317 3.506 30 20 CHED CC[C@H](CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1)C(C)C 116798991 ZVMKJZICALPHKW-LZWOXQAQSA-N 264.413 3.647 30 20 CHED CC(C)(C)CN(CCC#N)Cc1nc2ccc(F)cc2o1 119095205 AOINJTDZPSXTEQ-UHFFFAOYSA-N 289.354 3.729 30 20 CHED Cc1ccsc1C(=O)O[C@H](C)c1ccc(C#N)cc1 175781714 DBVMWMAYHRRWDQ-LLVKDONJSA-N 271.341 3.846 30 20 CHED C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1CCCCC#N 111278547 KBVZJSRFDAMIQW-HLLBOEOZSA-N 272.392 3.531 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2ccc(C)s2)c1C 171045344 QIAYSEBEQVLIHE-BQYQJAHWSA-N 274.389 3.786 30 20 CHED Cc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)o2)cc1 66238758 AZROTXDBWCIPTP-LBPRGKRZSA-N 298.371 3.581 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc(Cl)nc1 179411073 JLVYODVNMIHGQD-SOFGYWHQSA-N 257.720 3.940 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 173302121 QAILADZMLSRXBW-CXAGYDPISA-N 291.354 3.783 30 20 CHED CC[C@@H](C#N)Sc1nc(-c2ccccc2)c(C)[nH]1 187996991 NRUQOYHLQZYHDY-LBPRGKRZSA-N 257.362 3.779 30 20 CHED C=CCOc1ccc(CNCc2ccco2)cc1Cl 66969787 DJSDWGXVBOSIBX-UHFFFAOYSA-N 277.751 3.788 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1c(C)[nH]c2ccccc12 171206343 FEAQRHLXBZCQIY-UHFFFAOYSA-N 299.418 3.626 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1CC[C@@H](C)C1 189912805 JMZILETXGYEYCU-KGLIPLIRSA-N 264.413 3.744 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc(Cl)cc1 302850611 PQDQSRGURURRTM-UHFFFAOYSA-N 254.676 3.876 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1ccccn1)c1ccc(Cl)s1 175099341 GSQSGTYPVRQGIU-UWVGGRQHSA-N 290.775 3.776 30 20 CHED N#Cc1ccc(CN(Cc2cc(F)ccc2O)C2CC2)cc1 179925204 QNYMAOGDEPZDSR-UHFFFAOYSA-N 296.345 3.568 30 20 CHED CCN(c1ccc(Nc2ncccc2C#N)cc1)C(C)C 32735896 GWQMGWSIMNZBMQ-UHFFFAOYSA-N 280.375 3.932 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccc(F)cc2O)cc1 123374786 DHTITHGGBHYQFO-UHFFFAOYSA-N 298.317 3.585 30 20 CHED Cc1ccc(OCC(=O)Nc2cc(C#N)ccc2C)cc1C 63960538 QISLYOARLFQCNP-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CC[C@H](C#N)Sc1nnc(NC2CCCCC2)s1 127097470 YNZLWJVIQYBCCE-SNVBAGLBSA-N 282.438 3.677 30 20 CHED CCc1c[nH]c(S[C@H](C)c2ccc(C#N)cc2)n1 129064001 XXAVZIPXQRYSOA-SNVBAGLBSA-N 257.362 3.697 30 20 CHED C=C(C)CN1CCCCC[C@@H]1C[C@H](O)c1ccco1 121866329 JBZTZQJKNZXDRK-CABCVRRESA-N 263.381 3.524 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNc1cccc(C#N)n1 302729310 URXIAWPCAOJEJR-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCC(CC)[C@H]1C[C@@H](Nc2c(C#N)cccc2C#N)CCO1 302904217 UYYSURWMXAFCDF-DLBZAZTESA-N 297.402 3.826 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@]1(C#N)CCc2ccccc2C1 183999075 ZODHTTOELYFDOW-DNVCBOLYSA-N 298.430 3.626 30 20 CHED N#Cc1c(NC(=O)/C=C\c2ccccc2)sc2c1CCC2 33320023 SATZEKGXGUFJRS-KTKRTIGZSA-N 294.379 3.760 30 20 CHED CCCc1sc(C(=O)NCC2(C#N)CCC2)cc1CC 416353266 IHHUZIUZBYBYJB-UHFFFAOYSA-N 290.432 3.687 30 20 CHED CC(C)=CCCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416708147 BFVVVYINPHAQKH-QGZVFWFLSA-N 297.402 3.591 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C)C1 413810903 AKNIWMNBTNYBDI-RDJZCZTQSA-N 286.419 3.615 30 20 CHED CC(C)(CCC#N)CN(Cc1ccc(C#N)cc1)C1CC1 180031352 BAOHGHIZWRPQLJ-UHFFFAOYSA-N 281.403 3.853 30 20 CHED CCN(C(=O)c1ccc(C#N)c(C)n1)c1ccc(C)cc1C 76012548 SZTCKQLZTATREM-UHFFFAOYSA-N 293.370 3.545 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnc(-c2ccsc2)s1 410124090 RODCIGYPYQOEOZ-LLVKDONJSA-N 292.429 3.956 30 20 CHED C=C(C)[C@H](NCCCC(=O)OCC)c1ccc(F)c(F)c1 187771688 XLQVIEFXNDPSPT-INIZCTEOSA-N 297.345 3.515 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)CCC#N 411722502 VCUAEUHAPDADNF-OAHLLOKOSA-N 274.412 3.534 30 20 CHED C=CCC[C@H](NCc1cnoc1C)c1ccccc1 129915027 PRWONFAHYQPOEK-INIZCTEOSA-N 256.349 3.780 30 20 CHED Cc1cc([C@@H]2CCCN2CCCCC(C)(C)C#N)no1 368439102 QQMNYJPFWAQCMU-HNNXBMFYSA-N 275.396 3.840 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccc(C)cc1 37770989 OTZRQBODATUNQM-MRXNPFEDSA-N 279.383 3.858 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CCc1cccs1 121077706 ANEHLDPVUQDCGH-CYBMUJFWSA-N 270.401 3.855 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](C)[C@@H](C)CC 503057265 SZLZLFYKAJBXCY-JKSUJKDBSA-N 273.420 3.926 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCc2cscn2)c1 125067961 KLZGRBXLQLVMFF-UHFFFAOYSA-N 297.305 3.688 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Cl)cc2Cl)n(C)n1 210524785 JNKVHBQOCUADJF-XQRVVYSFSA-N 295.169 3.931 30 20 CHED C=C[C@](C)(CC)C(=O)N(CC)Cc1cccs1 189888849 LNXUWJGUKSGKEC-CQSZACIVSA-N 251.395 3.699 30 20 CHED Cc1occc1CN(C)[C@@H](C)c1cccc(C#N)c1 186971242 RUZMQJWQBJVRPT-LBPRGKRZSA-N 254.333 3.653 30 20 CHED C=C(C)CCNc1cc(OC)cc(OC)c1Cl 417064524 OXHFENKIOMBYJH-UHFFFAOYSA-N 255.745 3.735 30 20 CHED CC[C@H](c1ccncc1)N(C)c1ncc(C#N)cc1Cl 77989726 GQOWBTKPDTUEEK-CQSZACIVSA-N 286.766 3.589 30 20 CHED CCc1ccc(OCCOc2cccc(C#N)c2)c(OC)c1 318377863 ZDTNBHLFWYAMAK-UHFFFAOYSA-N 297.354 3.587 30 20 CHED N#CCSCC(=O)OC1c2ccccc2-c2ccccc21 41760809 XUCMETBREDKJHJ-UHFFFAOYSA-N 295.363 3.556 30 20 CHED C=CCC[C@H](C(=O)N(CC)C[C@H](C)C#N)c1ccccc1 188389394 PKQACYSURCOHLP-WBVHZDCISA-N 284.403 3.745 30 20 CHED N#Cc1cccnc1NCc1ccc(F)cc1C(F)(F)F 71954301 APZNOJRHKZHGGV-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccccc1C#N 76709096 GRUDWUXKEOSMKV-GFCCVEGCSA-N 282.318 3.515 30 20 CHED Cc1cc(N2CCC[C@H]2c2cccs2)c(C#N)cn1 335090939 OKYWAVZSRUFOBC-ZDUSSCGKSA-N 269.373 3.665 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](C)CC(F)F)CCCC1(C)C 412294261 QXKOBLWCFJONDG-NWDGAFQWSA-N 273.367 3.871 30 20 CHED Cc1cnc(N[C@@H]2CCCc3cc(C#N)ccc32)s1 419011316 ALZDUGSBPDYKPW-CQSZACIVSA-N 269.373 3.813 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cc(Cl)ccc1C 187820002 MCGZDCSTIOPDMQ-OAHLLOKOSA-N 281.783 3.816 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)c(CC)s1 410140417 AJNZCSXMHDBBQF-NSHDSACASA-N 251.395 3.703 30 20 CHED CCC(CC)C(=O)Nc1cccc(C#Cc2ccccn2)c1 43483728 FCLYZMXSGIGCKZ-UHFFFAOYSA-N 292.382 3.856 30 20 CHED CC#CCCCC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@@H]1C 410362206 UEDRTRHCXVOOBM-SUMWQHHRSA-N 289.806 3.885 30 20 CHED C[C@]1(N/C(O)=N/[C@H]2CCCCC23CCCC3)CCCOC1 329792258 FJAJZDNAOYZPCH-HOCLYGCPSA-N 294.439 3.562 30 20 CHED N#Cc1ccc(N2CCCc3sccc3C2)c(F)c1 609333696 CJUGMDHGLXEJKN-UHFFFAOYSA-N 272.348 3.712 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC([C@H]2CCCO2)CC1 190048454 ZRTBQQMVRACQLB-RDTXWAMCSA-N 284.403 3.510 30 20 CHED C[C@@H](Cc1ccc(F)cc1)Nc1cccc(OCC#N)c1 133737194 SJVLKRSLIBEDPP-ZDUSSCGKSA-N 284.334 3.771 30 20 CHED C#C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)C(C)C 381666562 JTCKTTXSNHIEOY-ZDUSSCGKSA-N 273.273 3.592 30 20 CHED CSc1ccc(Nc2nc(C)ccc2C#N)cc1 43398944 VLCDUCQWTSBAEB-UHFFFAOYSA-N 255.346 3.727 30 20 CHED C#CC[C@@H](C)OC(=O)c1cccc(-c2nc(C)cs2)c1 83785192 MIMSWVGBHSDAAF-GFCCVEGCSA-N 285.368 3.687 30 20 CHED COc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1C#N 134986035 DZVOECOMBWOXBW-MRXNPFEDSA-N 298.411 3.965 30 20 CHED Cc1coc(-c2cccc(N=C(O)N3CCC34CCC4)c2)n1 329831592 FRGLUJVIPFNPFH-UHFFFAOYSA-N 297.358 3.824 30 20 CHED C=CCn1c(SCC(=C)C)nnc1-c1ccoc1C 47822256 JTALNBKTCOBKFS-UHFFFAOYSA-N 275.377 3.701 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)c1c(F)cccc1Cl 81381490 LVZIHHCEDOKEEW-MNOVXSKESA-N 299.773 3.638 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 424603468 XFHMSMMRUZTEJW-UHFFFAOYSA-N 287.338 3.552 30 20 CHED COc1cc(SC)ccc1NCc1ccccc1C#N 193497354 LRBYTBDKWVCPDF-UHFFFAOYSA-N 284.384 3.901 30 20 CHED N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 41546318 ULQYAZPJHYXXIB-GFCCVEGCSA-N 296.713 3.971 30 20 CHED COCCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 424331355 SALIHSBZYBLYKI-XKQJLSEDSA-N 290.382 3.575 30 20 CHED CCCCCCCCOc1c(CO)cc(F)cc1CO 192776707 NBYHBXKBGTUYOX-UHFFFAOYSA-N 284.371 3.550 30 20 CHED C=C(C)C(C)(C)C(=O)NC1CCC(CSC)CC1 424859024 CHTWNBUPMPKPPK-UHFFFAOYSA-N 269.454 3.627 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](CC)c1ccc(OC)cc1 191810203 CKMZEWUUSBBWQC-RDJZCZTQSA-N 275.392 3.865 30 20 CHED Cc1cccc2c1CC[C@H]2NCc1cc(C#N)cs1 531356120 RSWBYFCEVXLURL-MRXNPFEDSA-N 268.385 3.705 30 20 CHED COc1cccc(F)c1NCc1cn2ccccc2c1C#N 193482332 ONJNLLSSKDBPJE-UHFFFAOYSA-N 295.317 3.571 30 20 CHED C=CCCCN(C)C(=O)N[C@@H](CC(F)F)c1ccccc1 422253191 CWJWOLJSKAIYLH-AWEZNQCLSA-N 296.361 3.991 30 20 CHED N#Cc1c(F)cccc1Cn1ccc(-c2ccc(F)cc2)n1 427552473 IPEDRZFGQMVADZ-UHFFFAOYSA-N 295.292 3.748 30 20 CHED C=C(C)CNC(=O)C1(Sc2ccccc2)CCCC1 427942009 IDVXHRYFJFUWFL-UHFFFAOYSA-N 275.417 3.784 30 20 CHED N#CC1(CNCc2ccc(-c3ccccc3)s2)CC1 515198464 ASAGDKPIQDWNKI-UHFFFAOYSA-N 268.385 3.808 30 20 CHED Cc1ccccc1CCNCc1ccc(O[C@@H](C)C#N)cc1 237698835 QBKKRRVSKAMECJ-INIZCTEOSA-N 294.398 3.618 30 20 CHED CC(C)[C@@H](Nc1cccc(C#N)n1)c1nc2ccccc2[nH]1 339219404 WEGQQYZNODCHFL-MRXNPFEDSA-N 291.358 3.639 30 20 CHED C=CCC[C@@H](NC1CCC(CN)CC1)c1ccccc1 422997579 OKZSOPOLADTYON-VMWRSERWSA-N 272.436 3.801 30 20 CHED Cc1csc(C(=O)N(C2CC2)C2(C#N)CCC2)c1Cl 334352925 IBZWPLQDMJOMDW-UHFFFAOYSA-N 294.807 3.761 30 20 CHED N#Cc1ccc(CN2CCC(Nc3ccccc3)CC2)cc1 237841492 YWNMVCQFKRVITL-UHFFFAOYSA-N 291.398 3.635 30 20 CHED CC[C@H](N/C(O)=N/Cc1nc(C(C)(C)C)cs1)C(C)C 330622300 NQBSGKKAEFMBIB-NSHDSACASA-N 297.468 3.879 30 20 CHED C[C@H]1CCCC[C@H]1CNc1nc(Cl)c(C#N)s1 235585193 CUHLBUMLZAZFMC-IUCAKERBSA-N 269.801 3.906 30 20 CHED Cc1csc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1C#N 336479019 UFGPHRKVLSISMQ-NSHDSACASA-N 295.367 3.542 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 520760074 KVXPOOAAAJBBAI-YQVWRLOYSA-N 292.382 3.752 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CC12CC2 527909672 LEVSXNNANOSLLU-AFAVFJNCSA-N 266.388 3.714 30 20 CHED C=CCCC(=O)N[C@H](c1nc2ccccc2[nH]1)[C@@H](C)CC 522577699 XEKAGOHDTCSSSJ-LRDDRELGSA-N 285.391 3.733 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(C)oc1C 346487781 VTOWURRPIQOOJW-UHFFFAOYSA-N 283.371 3.767 30 20 CHED N#CCCN(Cc1ccc2occc2c1)Cc1ccccn1 347787823 PXPQHZSDNLSLGZ-UHFFFAOYSA-N 291.354 3.744 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1cccc2cccnc12)OCC 341374746 PSLWLIHUPVQKIG-MRXNPFEDSA-N 298.386 3.569 30 20 CHED CC[C@H](NCc1cnc2ccc(C#N)cn12)c1cccs1 342733361 UAFQRNRJIKLWNK-AWEZNQCLSA-N 296.399 3.508 30 20 CHED C=C(C)C[C@@H](C)c1nc(-c2ccc(O)cc2C)no1 436882555 SPRRCZARSFTALI-LLVKDONJSA-N 258.321 3.820 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(CC)Cc1ccc(C)cc1 525831212 CVPPTWQWXUHGQQ-GOSISDBHSA-N 289.419 3.572 30 20 CHED COc1cc(OCCCCOC(C)(C)C)ccc1C#N 435784741 IBCBMOCJOVCRRS-UHFFFAOYSA-N 277.364 3.541 30 20 CHED C=CCCN(C)Cc1csc(CCC(C)C)n1 342727508 UPIDDTFNSKVIMZ-UHFFFAOYSA-N 252.427 3.740 30 20 CHED Cc1c(F)cccc1N[C@H](C)CC1(C#N)CCOCC1 602489949 BPPPCOXTRMEOBT-GFCCVEGCSA-N 276.355 3.645 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCc3ccccc32)c1 348667169 WVNBSGDKFGOXBR-INIZCTEOSA-N 296.757 3.629 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC/C=C\c1ccc(F)cc1F 435748982 QPNOFYVTAHEPLK-GPAZVNKHSA-N 293.357 3.549 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(C)cc2)c(OC)cc1O 255413338 MIUPTUGIUUQRDN-HJWRWDBZSA-N 298.338 3.614 30 20 CHED C[C@H](CCC#N)CNCC1(c2ccc(F)cc2F)CC1 602576195 JHIUVZUIAMJEOZ-GFCCVEGCSA-N 278.346 3.526 30 20 CHED N#CCC1(CN[C@@H](c2ccccc2)C2CCC2)CC1 602792272 NPPIZTKDLVSEDM-INIZCTEOSA-N 254.377 3.811 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1ccc(O)c(F)c1 255768598 FMYBLWFWWUIVEE-DJWKRKHSSA-N 278.229 3.706 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)O[C@H](C#N)C1CC1 255597760 JUZSNVCXZLGSTF-DNGMOHDESA-N 275.735 3.589 30 20 CHED C[C@H](CC(=O)N(CC#N)C1CCCC1)C1CCCCC1 524584253 SZTZDWUVJPORKZ-CQSZACIVSA-N 276.424 3.888 30 20 CHED CC(C)OCc1ccc(NC[C@H](C)CCC#N)cc1 602487956 QEGKHHZTCZFBSK-CQSZACIVSA-N 260.381 3.963 30 20 CHED C=CC[C@@H]1N(C(=O)c2sccc2OC)CCCC1(C)C 443860247 ORTKOUPEVRVUNE-ZDUSSCGKSA-N 293.432 3.964 30 20 CHED CC(C)COc1ccc(CN2CCC(F)(C#N)CC2)cc1 348713346 WKPWZNBTIOZISI-UHFFFAOYSA-N 290.382 3.549 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1nc(C)sc1C 443626499 WBQPNEQCBISIBY-UHFFFAOYSA-N 297.427 3.820 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@H](c2ccccc2)CC1 448889303 YJTYRPOMZZNAHI-MRXNPFEDSA-N 271.404 3.995 30 20 CHED C=CCNC(=O)c1sc(C2CC2)nc1-c1ccccc1 359351467 YEFPJKKIIKXSPV-UHFFFAOYSA-N 284.384 3.603 30 20 CHED C=CCn1c(C)cc(C(=O)CN(CC2CC2)C(C)C)c1C 533035988 HONGBMJEPFSEAF-UHFFFAOYSA-N 288.435 3.594 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccccc1SC 355831698 HPNOUNDCHCWEAK-XHDPSFHLSA-N 276.405 3.526 30 20 CHED N#CC1(F)CCN([C@@H]2CCCc3ccc(F)cc32)CC1 352442720 WFDMYJYFTZIQCO-OAHLLOKOSA-N 276.330 3.531 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H]1CCCn2cc(C)nc21 449174979 ZKKKUUWJKYKCEY-ZBFHGGJFSA-N 275.440 3.793 30 20 CHED C=CCN(C(=O)CC/C=C\c1ccccc1)[C@H](C)COC 617579644 IORADYCZFOVYTI-IYCSXQJISA-N 287.403 3.530 30 20 CHED C=C(C)CN(C)[C@H]1CCOc2ccc(Br)cc21 445890397 MZIYPRJWJLAMKC-ZDUSSCGKSA-N 296.208 3.781 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccccc12 618622349 AGEPUGDUULPDHV-KRWDZBQOSA-N 286.338 3.601 30 20 CHED Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1Br 613661046 YXCWVOLKLLQMPV-AAEUAGOBSA-N 293.208 3.539 30 20 CHED C=CCN(C(=O)N[C@H]1CCc2c(Cl)cccc21)C1CC1 537913999 LMIIJIAGNLKGMM-HNNXBMFYSA-N 290.794 3.687 30 20 CHED CCc1cccc(N/C(N)=N/Cc2cc(C)cs2)c1 263142167 OKVDIYGTDJBZMT-UHFFFAOYSA-N 273.405 3.546 30 20 CHED N#CC[C@H](CC(=O)N1Cc2ccccc2C1)c1ccccc1 355681545 YMJIXMUXLRVKCQ-MRXNPFEDSA-N 290.366 3.616 30 20 CHED N#C[C@@H](Cc1ccccc1)SCc1ccc2c(c1)OCO2 619460979 VUAHBIOMOPBCCJ-OAHLLOKOSA-N 297.379 3.783 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H]1CC 358950211 HDXULXBJJHFCLA-AWEZNQCLSA-N 274.412 3.501 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC)c(SC)c1 459651403 PNOWLTXLVHPSCA-SNVBAGLBSA-N 280.393 3.503 30 20 CHED C=CCCCSCC(=O)N[C@@H](C)c1cccs1 265439168 UMFMIZJALKINES-NSHDSACASA-N 269.435 3.625 30 20 CHED COc1ccccc1C(C)(C)NCc1cccc(C#N)c1F 538146946 AXNROXKUZASRMD-UHFFFAOYSA-N 298.361 3.731 30 20 CHED C=CCC1(CNC(=O)[C@@H]2Cc3ccccc32)CCCC1 456486349 NNJIBJNIJSMGBT-MRXNPFEDSA-N 269.388 3.579 30 20 CHED C=CCCC(=O)N1CCC(Cc2c(F)cccc2F)CC1 456809356 KZTZXOQAQVHKEZ-UHFFFAOYSA-N 293.357 3.712 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 451688759 KFVHCHSZNDRIBH-BGTYHANMSA-N 299.414 3.577 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1csc(CCC(C)C)n1 451675110 OTZXDFFTSGYALT-CABCVRRESA-N 294.464 3.555 30 20 CHED C=CCOCCCN[C@H]1CCCC[C@H]1CC(F)(F)F 451292294 ASGLFUHBBWQTAU-STQMWFEESA-N 279.346 3.680 30 20 CHED C[C@@H](COc1cccc(F)c1)N[C@@H](C)c1cccc(C#N)c1 538397101 PZLYMDLEQZXLKB-KBPBESRZSA-N 298.361 3.815 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](C)C2CCC2)c1 457483515 UYMKUIWPSZKHTC-GFCCVEGCSA-N 259.349 3.626 30 20 CHED C=C(CC)CSCc1nnc(C2CC2)n1C1CC1 360923714 DBSYIMKUPPUBMX-UHFFFAOYSA-N 263.410 3.690 30 20 CHED CC(C)CCN(C(=O)Nc1cccc(CC#N)c1)C1CC1 455920458 NNNDZWLVUVNABP-UHFFFAOYSA-N 285.391 3.795 30 20 CHED CC(C)CC1(CNC(=O)Nc2ccc(F)c(C#N)c2)CC1 362679928 NQEJBOQYCOEMMF-UHFFFAOYSA-N 289.354 3.645 30 20 CHED CC(C)COc1cccc(CN2CCC[C@@](C)(C#N)C2)c1 612405646 BWLCRNVHLHNJFX-SFHVURJKSA-N 286.419 3.847 30 20 CHED CCCOc1cccc(C(=O)N[C@](C)(C#N)C(C)(C)C)c1 274319632 KCDCBMVCLOLIOL-QGZVFWFLSA-N 288.391 3.534 30 20 CHED C=CCCC(=O)NCc1nn(CCC(C)C)c2ccccc12 452803694 XWSZEJVBKBSPKM-UHFFFAOYSA-N 299.418 3.665 30 20 CHED C=CCN(C)C(=O)c1ccc(OC(CC)CC)cc1 450795742 RLUZIICDZZSBQO-UHFFFAOYSA-N 261.365 3.512 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccccc1OC(C)C 540827183 RIKJEYIMPGSTFD-HNNXBMFYSA-N 290.407 3.628 30 20 CHED Cc1ccc(Cl)cc1NC(=O)N(CCC#N)C(C)C 547974145 XOTQKGLQYNCXMR-UHFFFAOYSA-N 279.771 3.804 30 20 CHED C=C(C)[C@@H](NC(=O)N1CC[C@@H](C)C1)c1ccc(F)c(F)c1 275137773 PKUYXQFYTNEGOR-IAQYHMDHSA-N 294.345 3.633 30 20 CHED N#CCCCNC(=O)N1CCC[C@@H]1CCC1CCCCC1 541321302 HIOCNNNGESWOHV-MRXNPFEDSA-N 291.439 3.825 30 20 CHED CCn1c(S[C@@H]2CC[C@@H](C#N)C2)nnc1-c1ccccc1 278619660 SJKJLBCAXDJAOV-TZMCWYRMSA-N 298.415 3.749 30 20 CHED Cc1cc(F)cc(-c2noc(-c3cc(C#N)cs3)n2)c1 547033258 VERGDXUQZIIDPC-UHFFFAOYSA-N 285.303 3.784 30 20 CHED C=CCCN(C)C(=O)Nc1cccc2ccc(C)nc12 276163545 RSNPJRADJVGMEK-UHFFFAOYSA-N 269.348 3.583 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 279925230 KRUMIQQPLBJWLR-NVXWUHKLSA-N 287.378 3.772 30 20 CHED C=C(C)CNC(=O)c1ccc(Cl)cc1C(F)(F)F 275339054 OIVKGGYUVLSUBT-UHFFFAOYSA-N 277.673 3.665 30 20 CHED CO[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 278672738 JGWKITJLQPZAJW-APHBMKBZSA-N 292.810 3.699 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@@H](C2CC2)C1)c1ccccc1 362684951 JQTGFAOWJCLOFI-WMLDXEAASA-N 269.388 3.605 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)Cc1ccc(F)cc1F 277947760 QWTDNXBGECRGDU-HXUWFJFHSA-N 299.386 3.934 30 20 CHED C=CCCC(C)(C)NC(=O)CCC(=O)c1ccccc1 620864190 VAGSSONXJUQECS-UHFFFAOYSA-N 273.376 3.511 30 20 CHED CCCCCCCCCCC(=O)N1CCCN(C)CC1 163065796 ODIUVEKDVVRDJO-UHFFFAOYSA-N 282.472 3.681 30 20 CHED CC(C)(C#N)CCCC[S@](=O)Cc1cccc(F)c1 277971192 SGGYBRZKRVAFHW-IBGZPJMESA-N 281.396 3.794 30 20 CHED C=CC[C@H]1N(C(=O)c2ccnn2C(C)C)CCCC1(C)C 278297336 GMEMRYVIYOGHGD-OAHLLOKOSA-N 289.423 3.671 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(C)(C)c1ccccc1 274646796 SEDQYPOOQPSYAP-SQWLQELKSA-N 256.393 3.635 30 20 CHED C[C@H]1Oc2ccccc2[C@@H]1Nc1snc(Cl)c1C#N 377177739 VXHKTKOHAHOAMN-RDDDGLTNSA-N 291.763 3.602 30 20 CHED Cc1ccccc1-c1cccc(CNC[C@@H](C)C#N)c1 541760669 OJHQTZJEKFZMKN-AWEZNQCLSA-N 264.372 3.911 30 20 CHED CC(C)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 463296391 TYJNSJWCWLYPCP-DOTOQJQBSA-N 256.393 3.982 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](COC)c1ccc(F)cc1 540188964 NNVWRHUXIZYMDO-ZENOOKHLSA-N 265.372 3.704 30 20 CHED C#CCCCN[C@H](C)c1ccc(Oc2cccnc2)cc1 289461341 QBMDSTKSKMEAKI-OAHLLOKOSA-N 280.371 3.938 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](N[C@H]1CCC[C@@H](C#N)C1)C2 463293270 GSBDCLPTVHXNCQ-HNLJFRNMSA-N 260.425 3.873 30 20 CHED C=CCCN(C)Cc1ccccc1OCC(F)(F)F 467300060 ACZFPPZDQBBVJR-UHFFFAOYSA-N 273.298 3.636 30 20 CHED C=CC[C@@H](CC)N[C@H](C)CC(=O)Nc1cccc(C)c1C 281734436 VDMIXVRCKAUILW-GDBMZVCRSA-N 288.435 3.965 30 20 CHED C[C@@H](C[S@](=O)CCCC(C)(C)C#N)c1ccccc1 280061192 STEOIKLHSDHCQQ-IFXJQAMLSA-N 277.433 3.869 30 20 CHED C=C(C)CCN[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 639226966 JKIWRQUXJKCLTN-HKUYNNGSSA-N 284.447 3.910 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@@H](C(C)C)CC1 551181735 IMEOUYSZQQOLCR-CQSZACIVSA-N 251.414 3.873 30 20 CHED C=CCOCCN1CCC[C@H](c2ccc(F)cc2)CC1 555421498 SLRJGUFFVAXCAO-HNNXBMFYSA-N 277.383 3.598 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)N[C@@H](C)CC#N)c2)o1 280992975 KMJKVVQOCIUZIK-LBPRGKRZSA-N 297.358 3.987 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(C)cnc1Cl 281273173 BGVQCBIRMQNAQY-JTQLQIEISA-N 267.760 3.520 30 20 CHED CC[C@](C)(C#N)c1nc([C@@H]2CCCc3ccccc32)no1 285376551 OLQUAWOLHKHSTL-RHSMWYFYSA-N 281.359 3.729 30 20 CHED Cc1ccncc1CCCN[C@@H](C)c1ccc(C#N)cc1 289209819 ILQMFBDQICBKSM-HNNXBMFYSA-N 279.387 3.545 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(C)c(OC)c2)no1 554795227 DLYYVYGXMQOUFS-INIZCTEOSA-N 272.348 3.907 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 289690430 VTVURTGQGPXIDK-JLSDUUJJSA-N 296.414 3.653 30 20 CHED CC(C)(C#N)CCN1CC[C@H](c2cccc(F)c2)C1 557966181 LXMLLUVKZUYKEO-AWEZNQCLSA-N 260.356 3.555 30 20 CHED C=CCCC1(c2nc(-c3c(CC)noc3C)no2)CC1 558386055 KKGWCEBFMCCGKY-UHFFFAOYSA-N 273.336 3.593 30 20 CHED C=CCCCCN[C@H](c1ccc(F)cn1)C(C)C 471615620 VFGWAAWXVZYLBU-HNNXBMFYSA-N 250.361 3.864 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C\c1ccccc1F 804834431 CXWIHGIPKLUERJ-SEYXRHQNSA-N 293.341 3.501 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)cc(Cl)c1F 632703027 LWPPLPOGDWVNOQ-UHFFFAOYSA-N 276.138 3.781 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1c(F)cccc1F 298922211 DSZHAXDNXUNQOR-NSHDSACASA-N 282.334 3.633 30 20 CHED C[C@@H](C#N)OCCSCc1ccc(F)cc1Cl 802749683 JWXHWDQZYQGKSJ-VIFPVBQESA-N 273.760 3.641 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2ncnc3sccc23)C1 800808757 OZABVXWWAYIJRY-NXEZZACHSA-N 260.366 3.525 30 20 CHED C=CCCC1(C(=O)NCCc2cc(C)cc(C)c2)CC1 476099632 OXMNGFWYHMYJKK-UHFFFAOYSA-N 271.404 3.709 30 20 CHED C=CCOc1ccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc1 568447610 YWYXYGAYBQIXPH-XUVXKRRUSA-N 291.394 3.679 30 20 CHED CCCCCCCCC(=O)Nc1n[nH]c(C2CC2)c1C#N 807698971 HJAJAOPBZGPDFD-UHFFFAOYSA-N 288.395 3.848 30 20 CHED CCCCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[C@@H](C)C1 294439747 ZHUVWFOIAWZGIJ-HIFRSBDPSA-N 287.407 3.707 30 20 CHED C#C[C@@H](NC(=O)CC(C)(C)c1ccccc1)C(C)(C)C 807884317 YBOZXDAVAHGKEJ-OAHLLOKOSA-N 271.404 3.518 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCCCC1(F)F 295432535 NNAUKOWPQNBNEK-CYBMUJFWSA-N 271.351 3.697 30 20 CHED C=C[C@@](C)(CC)c1nc(CSCc2ccco2)no1 290192606 MRXKOZAWIBRNOO-AWEZNQCLSA-N 278.377 3.950 30 20 CHED CC(C)C[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 560707408 POHADNONQKKENE-KRWDZBQOSA-N 299.462 3.501 30 20 CHED N#CCN(C/C=C/c1ccc(F)c(F)c1)C1CCCC1 563777045 ATOWUFLLKVGOCU-ONEGZZNKSA-N 276.330 3.746 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1nccn1-c1ccccc1 292245007 DXELZQDFXVIENT-AWEZNQCLSA-N 297.402 3.652 30 20 CHED C=CCCCNC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 645482322 YEMINGAXXGOGPY-AWEZNQCLSA-N 298.390 3.580 30 20 CHED CC(C)(C)CN(Cc1ccccc1)C(=O)CCCC#N 291775694 WFJPKABHLVDSQF-UHFFFAOYSA-N 272.392 3.755 30 20 CHED CC[C@H]1CCC1=NNc1ncc(Cl)cc1Cl 807952974 PYGIHBHDKSDHLX-ZETCQYMHSA-N 258.152 3.976 30 20 CHED N#Cc1ccccc1N(Cc1ccco1)C(=O)C1CCCC1 298324320 GHPHUHLSCAIPHB-UHFFFAOYSA-N 294.354 3.875 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCCC#N)o1 292142852 OWDOVPQJJINZJB-OCCSQVGLSA-N 274.364 3.582 30 20 CHED C=CCCc1noc(C2CCN(Cc3ccccc3)CC2)n1 297192066 FLOZAYXRNGOSJJ-UHFFFAOYSA-N 297.402 3.568 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(OC(F)(F)F)cc1 488875138 VYHGAYCUMAFDRE-LBPRGKRZSA-N 299.292 3.766 30 20 CHED CC(Cc1cccs1)=NN[C@H](C)COc1ccccc1 811667458 VXCPKAXKDUKYAR-CQSZACIVSA-N 288.416 3.724 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(C3CC3)c2)C1 569738497 CZBHCVVYGJECOO-UGSOOPFHSA-N 282.387 3.766 30 20 CHED N#Cc1ccc(NC(=O)C2(F)CCCCC2)c(Cl)c1 813067575 AVMIOZIMVQGODQ-UHFFFAOYSA-N 280.730 3.823 30 20 CHED C[C@H](C=NN1Cc2ccccc2C1=O)C1CCCCC1 814902384 LITKWNHKVIYQIO-CYBMUJFWSA-N 270.376 3.845 30 20 CHED C=CCOCCOC(=O)C[C@H](CC)c1ccc(C)cc1 813894344 JOEADBSACVXYLF-HNNXBMFYSA-N 276.376 3.625 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(Cl)c(N)c1 814897926 GTYOFSDRPOMBPC-UHFFFAOYSA-N 295.173 3.807 30 20 CHED C#Cc1cccc(NC(=O)CCSc2ccc(F)cc2)c1 819395754 UBQPZHDQFONIPQ-UHFFFAOYSA-N 299.370 3.928 30 20 CHED C=CC[C@@H](C)N[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 652165890 DCQNHAUGHNUPAW-OCCSQVGLSA-N 293.407 3.718 30 20 CHED Cc1nc(N(C)C[C@@H](C)c2ccccc2)ccc1C#N 488065723 DZPAVAKHHOFLOB-CYBMUJFWSA-N 265.360 3.502 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 814116880 ZTPCOECRDQGBKF-UHFFFAOYSA-N 295.766 3.667 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)CCCC1CCCCC1 484907952 JBHOJXHUPWOAQL-INIZCTEOSA-N 262.397 3.545 30 20 CHED C(=NNCCc1ccccn1)c1ccc(C2CCCC2)cc1 812229666 GHHJUSWUAVMXAK-UHFFFAOYSA-N 293.414 3.905 30 20 CHED N#Cc1nc(Oc2cccc(C=O)c2Cl)ccc1Cl 814902998 MJOZTGLYKFXRPI-UHFFFAOYSA-N 293.109 3.865 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc(C(F)(F)F)cs1 489451911 UXHNSYFKVKIWRE-SECBINFHSA-N 276.327 3.702 30 20 CHED CCCCCCCCCCC(=O)N1C[C@@H](C)C[C@@H](CO)C1 817632112 RJSANJIFETWGOE-DLBZAZTESA-N 297.483 3.994 30 20 CHED C=CCCCCN[C@@H](c1ncc(C)s1)C1CC1 573176499 ICGMUJMDYVZXEA-CYBMUJFWSA-N 250.411 3.849 30 20 CHED C#CC[C@H](OC(=O)c1nc2ccccc2cc1Cl)C1CC1 810609098 FVCQBBFONDJPNT-HNNXBMFYSA-N 299.757 3.847 30 20 CHED C=C[C@H]1CCCCN1c1ncnc2sc(C)c(C)c12 486463883 FHCOMUWHOFXFBR-LBPRGKRZSA-N 273.405 3.853 30 20 CHED C=CCn1c(N2CCC[C@H](CC)CC2)nnc1C(C)(C)C 573765172 VVMLHODBTDQPLG-AWEZNQCLSA-N 290.455 3.778 30 20 CHED C=CCCCCCCCNC(=O)N1CCC(COC)CC1 812495241 LZZFGMUAPRZSNG-UHFFFAOYSA-N 296.455 3.581 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](c1ccc(OC)cc1)C(C)C 814858457 YOEIABPZQWPBHO-AWEZNQCLSA-N 297.345 3.720 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc(C)cc1)c1ccccc1 484216885 FAQCXWSICJZOHI-INIZCTEOSA-N 295.382 3.982 30 20 CHED Clc1cccc(Cl)c1NN=C[C@@H]1CCCOC1 814871794 JWPMTIJKYHRVRR-VIFPVBQESA-N 273.163 3.818 30 20 CHED C=C(C)CN(C)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 497832534 QCQQIPIYSNYRJL-RYUDHWBXSA-N 292.345 3.573 30 20 CHED CC(C)COc1ccccc1NC[C@@H](C#N)CCC#N 573480074 GCCISFZETBJULV-CQSZACIVSA-N 271.364 3.577 30 20 CHED Cc1ccc([C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)s1 822717076 VOICRAVSOLBKAD-WBMJQRKESA-N 288.416 3.708 30 20 CHED CC1(C#N)CCC(NCC2([C@H](O)c3ccccc3)CC2)CC1 824023559 VDIVXOZORUUKHI-LXPRWKDFSA-N 298.430 3.562 30 20 CHED Clc1ccc(NN=Cc2nc(-c3ccccc3)no2)cc1 726419651 GEZFSDATSQYWKD-UHFFFAOYSA-N 298.733 3.836 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H]1CCN(c2ccccc2)C1 820089740 CCLIDBROTBHETQ-HNNXBMFYSA-N 287.403 3.658 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(C2CCCC2)cc1 575356621 MTWFFMZYQGHKMG-AWEZNQCLSA-N 256.393 3.936 30 20 CHED C=CC[C@H]1CCCN(C[C@@H]2CCCCN2C(C)C)C1 661384080 GPRDPEHYGPLDEM-IRXDYDNUSA-N 264.457 3.537 30 20 CHED CC(C)c1ccc(NC(=S)NCCCCC#N)cc1 728797713 AFXLVZAKLSQZQU-UHFFFAOYSA-N 275.421 3.790 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cncc(Cl)c1C 667160932 PKKUPLSKWKQRRE-UHFFFAOYSA-N 281.787 3.910 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](CC)CC(F)(F)F)C1 661025049 RNNRBMZAATVSGE-RYUDHWBXSA-N 292.345 3.715 30 20 CHED C=CCNC(=O)CC1(CCc2ccccc2)CCCC1 498023685 DCYJTJZRYNLUNX-UHFFFAOYSA-N 271.404 3.872 30 20 CHED N#Cc1cccc(-c2nc(-c3cccc4ccccc34)no2)n1 589360193 RXHLSFILVDWZIO-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc(OC(=O)NC)c1 824428833 VUOHKSQMESSFLP-CYBMUJFWSA-N 276.380 3.952 30 20 CHED C=CCCNC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 666357891 UAFAREQCKRLGTL-UHFFFAOYSA-N 285.347 3.656 30 20 CHED CCCCCC(C)(C)CNC(=O)c1cc(C#N)[nH]c1C 826799347 DFXMINQJIHCCHW-UHFFFAOYSA-N 275.396 3.531 30 20 CHED C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)CC1(F)F 494218273 BALCBDSRRFSWBZ-ZDUSSCGKSA-N 292.373 3.965 30 20 CHED CS[C@H]1CCCC(=NNc2ccc(F)c([N+](=O)[O-])c2)C1 901221039 UQJVRLBUWGWAFL-NSHDSACASA-N 297.355 3.807 30 20 CHED Brc1cscc1CON=C1CCC1 902263468 MUHSKWYNFHOPGW-UHFFFAOYSA-N 260.156 3.567 30 20 CHED CC(CCC1CCCCC1)=NNc1ncnc2[nH]cnc12 731925700 RFDXHIORCMDXGL-UHFFFAOYSA-N 286.383 3.501 30 20 CHED CC[C@@H](NC[C@H](C)c1ccncc1)c1cccc(C#N)c1 902832493 NLYZTPZFMKWQAH-KBXCAEBGSA-N 279.387 3.798 30 20 CHED C[C@H](COC(=O)c1ccc(C#N)cc1)c1ccccc1 735123794 JKGOXKGJUVHJJO-CYBMUJFWSA-N 265.312 3.519 30 20 CHED CC(=NNc1ccccc1Br)c1nccs1 732622336 QEXZNYJAGGYOJF-UHFFFAOYSA-N 296.193 3.742 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)CCCCCC#N 588373516 BTLZANACQOGQJU-CYBMUJFWSA-N 252.402 3.791 30 20 CHED Cc1ccnc(NN=CC(C)(C)Oc2ccccc2)c1 834964853 QSYRCBBJQBQVOS-UHFFFAOYSA-N 269.348 3.645 30 20 CHED C=C[C@H](CC(=O)O[C@H](C)c1csnn1)c1ccccc1 836092438 XOUODTYTFKKBPW-VXGBXAGGSA-N 288.372 3.502 30 20 CHED O=C(C1CC2(CC2)C1)N(O)Cc1cccc2ccccc12 901370804 GXZVWJDDBBNGFN-UHFFFAOYSA-N 281.355 3.748 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(-c2ccncc2)cc1 903099977 DWMLNFIPIAPUTC-AWEZNQCLSA-N 279.387 3.949 30 20 CHED C=C(C)CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 490015005 RQZFCNFJBXDHKZ-ZDUSSCGKSA-N 276.449 3.777 30 20 CHED C=C(C)CNC(=S)N[C@H](CC)c1ccc(Cl)s1 733905286 KYAMFGICFJNLFT-SECBINFHSA-N 288.869 3.893 30 20 CHED Cc1cccc(CC(=NNc2ccccn2)C2CC2)c1 736427643 NVLVUKPEPIZQKA-UHFFFAOYSA-N 265.360 3.811 30 20 CHED CC1(C#N)CCC(=NN[C@@H]2CCc3c(F)cccc32)CC1 835022078 VQPUNFXKYFIXGZ-TZHYSIJRSA-N 285.366 3.862 30 20 CHED C#CCN(C(=S)Nc1ccc(C(C)C)cc1)C(C)C 905652745 WWWPRMXWAGHBTJ-UHFFFAOYSA-N 274.433 3.850 30 20 CHED COc1ccccc1C=NNc1cc(F)c(F)cc1F 734301548 DEIJEIUJAZPJKG-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 909106898 HJGBEQRFIANUGG-AWEZNQCLSA-N 281.739 3.579 30 20 CHED C=CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C 731480748 XIWLTFNQQBIQIS-OAHLLOKOSA-N 296.455 3.530 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cccc(-c2ccncc2)c1 903100008 FYOCFWTYKRKPDO-CQSZACIVSA-N 279.387 3.949 30 20 CHED CC(C)C#CC(=O)Nc1cnn(-c2ccccc2)c1C(C)C 834385603 IUAYHJOUKHYTGT-UHFFFAOYSA-N 295.386 3.594 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)c1cccc(CC(C)C)c1 671771189 NGJVURYTFZESGX-KBPBESRZSA-N 259.393 3.679 30 20 CHED C[C@H](C=NNc1ccc(C(=O)O)cc1)c1ccccc1 916240669 JSDXTUVADKWNLN-GFCCVEGCSA-N 268.316 3.586 30 20 CHED N#CCOc1ccc(COc2ccccc2Cl)cc1 731156636 XFVUZXQVHLVPBG-UHFFFAOYSA-N 273.719 3.821 30 20 CHED CC(=NNc1c(C)cccc1Cl)c1cc(C)nn1C 835012155 WZTPIRHSMPMWNX-UHFFFAOYSA-N 276.771 3.526 30 20 CHED Clc1cc(Cl)cc(C=NNc2ccccn2)c1 917536660 SPDCHTAOFUUPBQ-UHFFFAOYSA-N 266.131 3.834 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1nccc2sccc12)OC 834940730 CJVFKQMGQNQMLE-ZYHUDNBSSA-N 277.393 3.755 30 20 CHED Cc1cc(C)cc(CC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 596740156 CLFVLYTYYQQYOY-HNNXBMFYSA-N 292.382 3.595 30 20 CHED CCCCOCCSc1cccc(F)c1C#N 594897990 IGYRJTFMNXKIKX-UHFFFAOYSA-N 253.342 3.606 30 20 CHED CC1(C)C[C@H](Nc2ncccc2C#N)c2cc(F)ccc2O1 593496697 WATWVDHLZRMMRW-AWEZNQCLSA-N 297.333 3.807 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cc(F)c(O)c(F)c1 749895114 YRKCFDGTCXWIAL-NSCUHMNNSA-N 280.295 3.936 30 20 CHED C#C[C@@H](OC(=O)c1ccc(C)nc1C1CC1)c1ccccc1 842392602 RWYUOPCFBKYGLS-QGZVFWFLSA-N 291.350 3.799 30 20 CHED CCc1ccc([C@H](C)CC(=O)N2CCC[C@@H](CC#N)C2)cc1 597910063 VAWCXLNDPBVBHN-WBVHZDCISA-N 298.430 3.895 30 20 CHED CCOc1ccc(/C=N\[C@@H]2CCCC[C@H]2OCC)c(O)c1 840708325 ABXGOOPKRSZTTA-GIBKEPBISA-N 291.391 3.558 30 20 CHED Cc1ccc(C2(C(=O)Nc3sccc3C#N)CCC2)cc1 591841971 BDQCYPBJBIUHEZ-UHFFFAOYSA-N 296.395 3.989 30 20 CHED CSCc1ccc(CNc2nc(C#N)ccc2C)cc1 596229214 GQZVRSXILVHUFX-UHFFFAOYSA-N 283.400 3.737 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc3ccccc3c2)cc1 916240371 AIFGBVDKUDZQES-UHFFFAOYSA-N 290.322 3.984 30 20 CHED C[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)[C@@H](C)[C@H]1C 842167180 RZQITRZZOSYUET-AGIUHOORSA-N 292.810 3.719 30 20 CHED CCCCCCCNC(=O)Nc1ccc(F)cc1 916645340 RXDCKSLAEXRCLR-UHFFFAOYSA-N 252.333 3.918 30 20 CHED C=C(C)CNC(=S)NCc1ccc(C(C)(C)C)cc1 745651452 PDDOWVDMQYERHC-UHFFFAOYSA-N 276.449 3.524 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc2nc(C(F)F)sc2c1 593704723 QTGLJEWDWIHERY-SSDOTTSWSA-N 295.314 3.722 30 20 CHED CCC(=NNCc1ccc(OC)cc1)c1ccc(F)cc1 917548852 MCANSSXFWZQNFI-UHFFFAOYSA-N 286.350 3.738 30 20 CHED CCOc1cccc([C@H](C)/N=C/c2c(O)cccc2OC)c1 745013084 SQLOTGHUIMCVIO-HCZVKUGISA-N 299.370 3.980 30 20 CHED C(=NNc1nncc2ccccc12)c1ccc2ncccc2c1 915913847 DEZYOWCHRZNEMB-UHFFFAOYSA-N 299.337 3.624 30 20 CHED Cc1cc(NC(=O)C2CCCCCCC2)ncc1C#N 847137633 WXKDTVZDFJZFMP-UHFFFAOYSA-N 271.364 3.561 30 20 CHED N#CCCCOC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 748151636 AXEXSODGKUIRPR-LNLFQRSKSA-N 297.398 3.882 30 20 CHED CCSC1(CN[C@H](C)c2ccc(C#N)cc2F)CC1 595098552 IIZWRIZZYDUNSR-LLVKDONJSA-N 278.396 3.634 30 20 CHED C[C@H](C(=O)OC1(CC#N)CCC1)c1ccc(Cl)cc1 845556588 PTHSHFARGCTGDC-NSHDSACASA-N 277.751 3.823 30 20 CHED CCCN1C(=O)C(=NN=C[C@H]2CC=CCC2)c2ccccc21 916312709 LINRTCGHNPVPKS-AWEZNQCLSA-N 295.386 3.574 30 20 CHED CCOc1ccccc1C=NNc1ccc(F)cc1 916268247 SOCUNWSTKLTFJV-UHFFFAOYSA-N 258.296 3.670 30 20 CHED COc1cccc(SC)c1NCC1(CC#N)CC1 594704814 OAJLBCPGZQUERA-UHFFFAOYSA-N 262.378 3.523 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)C1CCCCC1 843270425 ZCUSGMGBJMEUTD-CMDGGOBGSA-N 260.381 3.702 30 20 CHED N#Cc1cccc(CNCc2cccc(OC3CC3)c2F)c1 594915932 XZIYAUITFVMAPU-UHFFFAOYSA-N 296.345 3.528 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1ccc(OCC#N)cc1 741797347 KGNBHPGLKZMIMY-OAHLLOKOSA-N 292.382 3.536 30 20 CHED C=CCC[C@@H](NC(=O)OCCCF)c1ccccc1 841507220 VAMIPPQTXTYHPF-CQSZACIVSA-N 265.328 3.780 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)C[C@@H](C)C1CC1 920790241 TZTWKAAXFFJNPX-GFCCVEGCSA-N 274.360 3.765 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(O)cc2O)s1 757472569 OQLAVZGYLRADMK-VURMDHGXSA-N 274.341 3.618 30 20 CHED CCCCNN=Cc1cnc(-c2cccs2)s1 751527554 VJJPTKRJIRACSX-UHFFFAOYSA-N 265.407 3.595 30 20 CHED Cc1cccc(CC(=O)OCCC(C)(C)C#N)c1Cl 753597985 NFNGNTYBXGPLMK-UHFFFAOYSA-N 279.767 3.674 30 20 CHED COc1ccc(NN=C(C)c2c(F)cccc2OC)cc1 750920511 ACWNAUXIOSXPTG-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CC1CCCCC1 851214777 WRNVFWSIPKPKAB-LBPRGKRZSA-N 251.370 3.828 30 20 CHED CCC1(C)CCC(=NNc2nc(C)cc(C)n2)CC1 751516797 MOPTZDWHLXZMTF-UHFFFAOYSA-N 260.385 3.852 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@@H]1CCCC(C)(C)C1 755431376 VBZGYFZPXQABOT-CYBMUJFWSA-N 287.359 3.689 30 20 CHED COCCOc1ccc(N[C@@H](C)CC(C)(C)C#N)c(C)c1 925872082 OSWOCSJSUGSYDL-AWEZNQCLSA-N 290.407 3.761 30 20 CHED C=CCOc1ccc(OC(=O)C(CC=C)CC=C)cc1 758507379 YKVPIARQYFZLIR-UHFFFAOYSA-N 272.344 3.925 30 20 CHED FCC[C@H]1CCCC1=NNc1ccc(Cl)cn1 853437448 OBXWFLXUGUCPQB-SECBINFHSA-N 255.724 3.663 30 20 CHED CCCCCCCCC/C=C\C(=O)N[C@@H]1CCOC1 752419914 VUZHKGARWXYXGP-JQPIKURYSA-N 267.413 3.588 30 20 CHED Fc1ccccc1C=NOC/C=C/c1ccccc1 852146205 ILFPDHHPQSQJBC-CGYDAQLOSA-N 255.292 3.890 30 20 CHED O=C(/C=C/c1ccc(Cl)c(F)c1)c1cc(O)ccc1O 757467375 DQBCGHOLEWDDPQ-GORDUTHDSA-N 292.693 3.786 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc2nc(O)oc2c1 926792254 YRRAPOCGLCVLJH-MNOVXSKESA-N 287.363 3.512 30 20 CHED COc1cc(C=NN2CCCC[C@H]2C)ccc1OC(C)C 853380525 WVQSWWWTKXMHMT-CQSZACIVSA-N 290.407 3.691 30 20 CHED CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)CC(C)(C)C#N 925227332 UBLNBSBFXOQCND-MELADBBJSA-N 268.470 3.969 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(O)cc1 759653360 PVUFTNWEPCIWAF-UHFFFAOYSA-N 258.296 3.676 30 20 CHED CCCCCCCCCCNC(=O)c1cc(C)n(C)n1 755487638 UVSCLSPJKKODEW-UHFFFAOYSA-N 279.428 3.599 30 20 CHED CCC1(C)CCN(C(=O)/C=C\c2ccccc2C#N)CC1 750768452 MICZIAXBWOVBMU-HJWRWDBZSA-N 282.387 3.610 30 20 CHED C(=NO[C@H]1CCCCO1)c1csc2ccccc12 755825119 UEJAQXHJVAQMTC-AWEZNQCLSA-N 261.346 3.778 30 20 CHED Cc1cccc2[nH]c(COC(=O)c3ccc(C#N)s3)cc12 754702111 SJNGTVXRGUOGFV-UHFFFAOYSA-N 296.351 3.767 30 20 CHED C#CCCOc1ccc(-c2ccccc2)cc1C=O 751769603 MZWWRFVDFPKZCT-UHFFFAOYSA-N 250.297 3.568 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 761393657 SJHDMGYAHHOAJX-LSDHHAIUSA-N 292.762 3.522 30 20 CHED Cc1oc2ccccc2c1CC(=O)OCC(C)(C)CC#N 768029329 GBMLLIXIERLTQY-UHFFFAOYSA-N 285.343 3.767 30 20 CHED C#CCOc1cc(F)ccc1NCc1ncc(Cl)s1 769918080 TWRNVVXYCKILKO-UHFFFAOYSA-N 296.754 3.560 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)Nc2sccc2C#N)C1 864258195 PRTYLEQSRCZXSO-NSHDSACASA-N 277.393 3.520 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc2c(c1)CCC2 860197872 NVZGIOYQDJCQQR-UHFFFAOYSA-N 271.360 3.548 30 20 CHED C#CCN(C(=O)N[C@@H](CC)C(C)(C)c1ccccc1)C1CC1 764724953 HWZIWPGHFVSDFO-KRWDZBQOSA-N 298.430 3.550 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1c(C)cccc1C 765980428 BNISHAMWOCMVTG-GJZGRUSLSA-N 276.376 3.889 30 20 CHED CCC(C)(C)c1noc(CSc2ccc(C#N)cc2)n1 867176511 VRKKXZIYVNHYEW-UHFFFAOYSA-N 287.388 3.921 30 20 CHED CC(CCCCN(C)C)=NNc1c(F)cccc1Cl 769826261 CRXDWJFYAXACDE-UHFFFAOYSA-N 285.794 3.999 30 20 CHED CCC(=NNc1ccc(F)c(Cl)c1)[C@@H]1CCOC1 863179592 ZBBKKCBPPQLIOS-SECBINFHSA-N 270.735 3.694 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccncc1 766019491 MCIZFCOAKKPEGH-BLLLJJGKSA-N 271.339 3.584 30 20 CHED CCC1(CC)C(=NNc2nncc3ccccc23)C[C@H]1OC 762604941 RMQFHYQGGVNCQQ-OAHLLOKOSA-N 298.390 3.623 30 20 CHED COc1cccc(NCC#Cc2ccc(Cl)cc2)c1F 769897056 BYLXHQNGVDFDRD-UHFFFAOYSA-N 289.737 3.951 30 20 CHED C#CCCCCCCNc1cccc(NC(C)=O)c1 876819637 KFBAWXHQUOLJJQ-UHFFFAOYSA-N 258.365 3.641 30 20 CHED CCOc1ccc(C=NOCc2ccc(C#N)cc2C)cc1 776744026 YXLCASZLKHLCNY-UHFFFAOYSA-N 294.354 3.816 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2c(F)cccc2C1 775777314 KPKHDXQIYKCJPP-CYBMUJFWSA-N 290.382 3.638 30 20 CHED Cn1ccc(/C=C/C(=O)c2cccc(-c3ccccc3)c2)n1 773153781 NJTZHQVOBCZBKI-ZHACJKMWSA-N 288.350 3.983 30 20 CHED C#CC[C@@H](NC[C@H]1CCOc2ccccc21)c1ccccc1 776252195 JTGOENKIVUAOBR-IEBWSBKVSA-N 291.394 3.907 30 20 CHED CCC[C@@H](C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1119488378 WYYQNHYMJLPRSZ-CYBMUJFWSA-N 270.376 3.880 30 20 CHED C[C@H]1CC/C(=C/c2nnc(-c3cccc(C#N)c3)o2)C1 1118360578 KJRSHJSFAYVMMT-AWPPVZKDSA-N 265.316 3.812 30 20 CHED Cc1cccc2c1CCN(c1ccc3cc(C#N)ccc3n1)C2 771651293 CZJKXVPLDYLOCI-UHFFFAOYSA-N 299.377 3.978 30 20 CHED CC#CCOC(=O)CC1(CSc2ccccc2)CC1 770613009 SFWROFJRWFBSDH-UHFFFAOYSA-N 274.385 3.516 30 20 CHED N#C[C@H](C(=O)CCCC(F)(F)F)c1nc2ccccc2o1 771262344 WJCCFKLNJQIWFQ-SECBINFHSA-N 296.248 3.737 30 20 CHED COc1cc(C)c(C=NOC2CCCCC2)cc1OC 777459988 UIMYVBFRWKIHSF-UHFFFAOYSA-N 277.364 3.695 30 20 CHED COC1(C(=O)O[C@H](C)c2cccc(C#N)c2)CCCCC1 774043261 DUOSYXWXQVHCIE-CYBMUJFWSA-N 287.359 3.512 30 20 CHED Cc1ccc(F)c(C(=O)O[C@@H](C#N)C2CCCCC2)c1F 776394691 ADDXAVOLWAUILE-ZDUSSCGKSA-N 293.313 3.903 30 20 CHED CCCCCC[C@H](CC)C(=O)OCC1(C#N)CC1 775860257 WQCKQEAKAYHMMV-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED C#CCCCCC(=O)Nc1cc(CC2CCCCC2)[nH]n1 774278963 YHQDTHWDLCXOOB-UHFFFAOYSA-N 287.407 3.665 30 20 CHED Cc1cc(C)c2c(c1)C(=NOCCC(F)(F)F)CCO2 777461110 UTSCMCWGSBAALQ-UHFFFAOYSA-N 287.281 3.759 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CC(=NNc1ccccn1)CC3 778537789 BNLZZENZUAOMKO-UHFFFAOYSA-N 290.370 3.828 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCC[C@H]1OC 775247213 ZTGIKVQAVUPZAB-HUUCEWRRSA-N 269.429 3.668 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 779929693 HRRKAHDBMGFEBQ-AEFFLSMTSA-N 283.415 3.975 30 20 CHED Cc1nc(C=NN[C@@H](Cc2ccccc2)C(C)C)cs1 777448206 NAFYEVQWNFADGL-INIZCTEOSA-N 287.432 3.642 30 20 CHED CC(C)c1nccnc1NN=C[C@H]1CCC[C@@H](C)C1 773091469 QPIQTNQKCXBIIU-OLZOCXBDSA-N 260.385 3.824 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCC(C)(C)C2)CCCCC1 788237855 ZBBKAYQIZBGNFM-CQSZACIVSA-N 261.409 3.655 30 20 CHED C=C(C)CCC(=O)Nc1ccc(N2CCCC2)cc1 1120789990 YFJMDLHKSYDNQD-UHFFFAOYSA-N 258.365 3.582 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H]2CC[C@@H](C)C2)cc1 783305821 AQPIBQRREZKDIE-YCPHGPKFSA-N 257.377 3.538 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)Cc1ccccc1Cl 785522857 CLCWRRZHVOFGMW-BLLLJJGKSA-N 279.811 3.990 30 20 CHED N#Cc1ccc(S/C=C/c2ccc([N+](=O)[O-])o2)c(F)c1 789922595 PUAYVYMERRQJDW-AATRIKPKSA-N 290.275 3.962 30 20 CHED O=C(/C=C/c1c(F)cccc1Cl)c1cncs1 787171521 AQPRFZITIUFGBV-SNAWJCMRSA-N 267.712 3.832 30 20 CHED Clc1ccc(NN=Cc2ccc3cnccc3c2)cn1 782237700 BGASOQSRSIASGO-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C=C1CCC(C(=O)[C@H](C#N)c2nc3ccccc3o2)CC1 892553471 OKQQTWYETBWODH-ZDUSSCGKSA-N 280.327 3.750 30 20 CHED CC(=NNC1CCCCC1)c1cnn(C(C)(C)C)c1C 787161723 FPYWCSOVTJWZOX-UHFFFAOYSA-N 276.428 3.593 30 20 CHED C=CCCCCCOC(=O)[C@H](C)c1ccc(C)o1 783941085 USBYTLDBAODTDT-CYBMUJFWSA-N 250.338 3.981 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2cccc(CC#N)c2)C1(C)C 894768435 WIXFNFDONFZVJQ-JKSUJKDBSA-N 272.392 3.757 30 20 CHED CCCC1CCC(NC(=O)c2ccccc2CC#N)CC1 1136398304 DOBRCBCODBYZEY-UHFFFAOYSA-N 284.403 3.841 30 20 CHED O=C1/C(=C/c2ccc3cnccc3c2)Cc2c(O)cccc21 782322304 GNBAVPRYMCWHMW-OQLLNIDSSA-N 287.318 3.763 30 20 CHED C[C@H]1CCC(=NNc2ncnc3sccc23)[C@H](C)C1 783815941 HVADIGDDGARBFM-VHSXEESVSA-N 274.393 3.915 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H]3CCC[C@H]32)CCCCC1 788450936 WWDZMJFVYGOYND-JKSUJKDBSA-N 273.420 3.751 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H]2CCCC(F)(F)C2)cc1 799953437 MXXJNIHVXXTSDH-GFCCVEGCSA-N 296.313 3.982 30 20 CHED O=C(/C=C/c1cnn(CC2CCC2)c1)c1ccccc1F 899335584 FGOSBJTVAULNED-CMDGGOBGSA-N 284.334 3.718 30 20 CHED Cc1cc([C@@H](C)Nc2cccc(OCCCC#N)c2)n(C)n1 793549910 TTZSBGFPKHOUHJ-CQSZACIVSA-N 298.390 3.584 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1cccc(C(F)F)c1 790708907 USJWNDQZAJXUPZ-UHFFFAOYSA-N 281.302 3.650 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1cc(F)cc(F)c1 797123697 GWTXXNIITRBUNR-OTYXRUKQSA-N 267.275 3.509 30 20 CHED CC(CC(C)(C)c1c[nH]c2ccccc12)=NN[C@@H]1CCOC1 799487122 CJGRQKYPNZLKDR-CQSZACIVSA-N 299.418 3.590 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cc(C)c(C)o1 799884096 CZYLTUKEABSFCD-UHFFFAOYSA-N 263.728 3.781 30 20 CHED Cc1oc(C#N)cc1C(=O)OC[C@H]1CCCc2ccccc21 797885160 LRFSLIFAGDSZJX-CQSZACIVSA-N 295.338 3.737 30 20 CHED COc1ccc(C(C)=NNc2cccc(Cl)n2)cc1F 793160812 FDGWRFNNWXDSRM-UHFFFAOYSA-N 293.729 3.719 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1ccnc(F)c1 794720424 RHRFGOCJJIYWQM-AATRIKPKSA-N 278.286 3.665 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H]1CSCCS1 793534133 OLNKSVCAYMMGAX-ZIAGYGMSSA-N 273.511 3.950 30 20 CHED O=C1/C(=C\c2cccnc2Cl)COc2cc(F)ccc21 794729130 YFYUBBIZUDNDDF-POHAHGRESA-N 289.693 3.533 30 20 CHED CC[C@H](C)NN=Cc1nc(-c2ccccc2)cs1 790183274 KXFYTPHROAAQQE-NSHDSACASA-N 259.378 3.532 30 20 CHED COc1ccc2c(c1OC)O/C(=C/c1cccc(C)c1)C2=O 799500753 FNBTUNAYLXZHNV-XNTDXEJSSA-N 296.322 3.628 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccccc2C#N)cc1F 799497858 BLVIHGQXLMTXGR-CSKARUKUSA-N 294.329 3.659 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 1141615599 MHTCQAYBIGPSEB-ZDUSSCGKSA-N 279.343 3.545 30 20 CHED C(#C[C@H](c1ccncc1)N1CCCCC1)c1ccccc1 98179796 LWTHEPKNZBKYRL-LJQANCHMSA-N 276.383 3.660 30 20 CHED CSc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1 135152394 YXNZSYAXNICKIZ-UHFFFAOYSA-N 286.331 3.672 30 20 CHED CC(C)C[C@@H]1CCCN(c2cccc(F)c2C#N)C1 1162799796 KYFLRONWTBOWPM-ZDUSSCGKSA-N 260.356 3.960 30 20 CHED C=CCC[C@H](NC(=O)c1nc(C)cs1)c1ccccc1 1319906432 CTRKYAYJKXTLBO-AWEZNQCLSA-N 286.400 3.889 30 20 CHED C=C(Cl)CN1CCC(Nc2ccccc2Cl)CC1 1319389755 ZMMYTDMUSIWQJM-UHFFFAOYSA-N 285.218 3.969 30 20 CHED C=CCn1cnnc1SCc1ccccc1C(C)(C)C#N 1319240159 DZTHACACQAJGSH-UHFFFAOYSA-N 298.415 3.558 30 20 CHED Cc1cccc(Cl)c1C#CCNC(=O)OC(C)(C)C 95883616 JFMAUENCKZLCFV-UHFFFAOYSA-N 279.767 3.525 30 20 CHED CC1(C)CCCN(C(=O)c2cc(Cl)ccc2F)[C@@H]1C#N 277984349 QVLHXPQZRAWRTD-CYBMUJFWSA-N 294.757 3.633 30 20 CHED C=C(Cl)CN1CCS[C@H](c2ccccc2)C1 735561755 DAGHRVKYPABKBK-ZDUSSCGKSA-N 253.798 3.529 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc3occc3c2)C1 589173282 SGJNSBIWPCSJRM-INIZCTEOSA-N 254.333 3.558 30 20 CHED CC(C)CN(CCC#N)Cc1cc(Cl)nc(Cl)c1 739914999 VAFUGOZXAIERLZ-UHFFFAOYSA-N 286.206 3.760 30 20 CHED CC[C@H]1CCC[C@H]1c1nnc(COc2ccc(C#N)cc2)o1 1329294798 CFKITJJQDLXKQT-DZGCQCFKSA-N 297.358 3.814 30 20 CHED C=CCC(F)(F)c1nnc(COc2cc(C)cc(C)c2)o1 1327824401 QFBVDHQNWNZGSF-UHFFFAOYSA-N 294.301 3.933 30 20 CHED Cc1nc(C(C)C)oc1COC(=O)CC#Cc1ccccc1 1324024145 PMELZZUMURIUDW-UHFFFAOYSA-N 297.354 3.591 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 695711904 DDJYJUDYVOTTDO-KWBADKCTSA-N 274.751 3.586 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 769400481 YMDVRYXGJQYPOZ-CABCVRRESA-N 263.425 3.757 30 20 CHED O=C(CC#Cc1ccccc1)N1CCc2cc(Cl)ccc21 1349813755 ROALLDKQNOWJEM-UHFFFAOYSA-N 295.769 3.671 30 20 CHED N#CC[C@@H](OC(=O)CCCOc1ccccc1)c1ccco1 1263660648 LLBMIRMMJRIMPI-MRXNPFEDSA-N 299.326 3.637 30 20 CHED N#Cc1ccc(NC(=O)[C@@H](F)CC2CCCCC2)cc1 1349960248 CPNCXOXGFVPBEM-HNNXBMFYSA-N 274.339 3.805 30 20 CHED CCn1cc(Cl)cc1C(=O)O[C@H](CC#N)c1ccco1 1346706421 JVKKXNWEQBOZCA-CYBMUJFWSA-N 292.722 3.566 30 20 CHED CCCC[C@@H](C)N(C)C(=O)[C@H](CC#N)c1ccccc1 1274864013 YQMJFHQTEUHCFX-GDBMZVCRSA-N 272.392 3.721 30 20 CHED CC[C@H](CC1CCCC1)C(=O)Nc1cc(C)c(C#N)cn1 1277611089 XOONLGFMYFXWEP-CQSZACIVSA-N 285.391 3.807 30 20 CHED Cc1cccc(NC(=O)Cc2cccc(C#N)c2)c1Cl 1354465247 NFPJBZHMIMNQOD-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CC(C)c1ocnc1C(=O)Nc1ccc(Cl)cc1C#N 1437641081 PFSGUHYHTOJWPC-UHFFFAOYSA-N 289.722 3.575 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)c1 1436704588 CFYYEWKNNNDFQM-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED CC(C)CC1(C(=O)O[C@H](CC#N)c2ccco2)CCC1 1518018251 PXRIVEYXDCAVLJ-CQSZACIVSA-N 275.348 3.994 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](c1ccccc1)C1CC1 1524590123 ROHUODMZIUILNJ-GOSISDBHSA-N 290.366 3.748 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccccc2nc1Cl 1528383077 IDXUMSJGZIKMRP-LBPRGKRZSA-N 288.778 3.973 30 20 CHED N#CC[C@H](C(=O)Nc1cccc(F)c1F)c1ccccc1 1526904735 LJPOPMWETPHQOG-LBPRGKRZSA-N 286.281 3.601 30 20 CHED CCc1c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)oc2ccccc12 1524747815 ZDVRXUDEZURYQU-VXGBXAGGSA-N 283.327 3.844 30 20 CHED CCC1(CNC(=O)c2ccsc2C#N)CCCCC1 1528209601 PJDOCCHFHFPCDW-UHFFFAOYSA-N 276.405 3.710 30 20 CHED C=C(Cl)CNC(=O)NCC(C)(C)C1CCCCC1 1469444035 HOHKGNGTCJADIK-UHFFFAOYSA-N 272.820 3.645 30 20 CHED C[C@@H]1C[C@H](OC(=O)c2ccc(C#N)s2)CC(C)(C)C1 1533849512 VVOXZILULXSDPV-MNOVXSKESA-N 277.389 3.991 30 20 CHED N#Cc1cccc(N(C(=O)c2ccccc2F)C2CCC2)c1 1532046059 ZSJAHTKYBDMDOR-UHFFFAOYSA-N 294.329 3.897 30 20 CHED Cc1ccc(NN=Cc2cc(C(=O)O)ccc2Cl)cc1 1607808181 HVDUWUCMJGRXDR-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC[C@@H]1C[C@H]1CN(Cc1ccc(C#N)cc1)C1CC1 1473304753 RREWLWUYAZASTA-CVEARBPZSA-N 254.377 3.569 30 20 CHED C[C@H]1CN(CCC(C)(C)C#N)c2cccc(Cl)c2O1 1473460106 WJGDRIBWJYECRA-NSHDSACASA-N 278.783 3.867 30 20 CHED CCCCc1oc2ccccc2c1CNc1n[nH]cc1C#N 1474141274 CGSWVOLEZGLCBH-UHFFFAOYSA-N 294.358 3.982 30 20 CHED Cc1ccc(C(C)(C)CN(C)Cc2cccc(C#N)n2)cc1 1621117248 GHIKQRNSBXLCJH-UHFFFAOYSA-N 293.414 3.671 30 20 CHED CCOc1ccc(C[C@H](C)CNc2ncccc2C#N)cc1 1559206894 RNQXYHHRVFMJIR-AWEZNQCLSA-N 295.386 3.643 30 20 CHED CCc1cccc(N(C)C(=O)c2ccccc2CC#N)c1 1556938396 JYFCEHXPYWZCOJ-UHFFFAOYSA-N 278.355 3.592 30 20 CHED C=CCCC(=O)Nc1cc(C(=O)O)cc(Cl)c1Cl 1573353137 PRXVOBBHNHKVQY-UHFFFAOYSA-N 288.130 3.596 30 20 CHED CC[C@H](C)[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)OC 1640999121 OOZKGZZAEPGHMT-TVQRCGJNSA-N 297.807 3.891 30 20 CHED COc1cc(C#N)ccc1CNC1(C2CCCCC2)CC1 1648570125 IYLOFQPOKZQRNB-UHFFFAOYSA-N 284.403 3.769 30 20 CHED C[C@H]1CC[C@H](CNc2ncc(C#N)cc2Br)C1 1651033099 QZTLXMAYKRGCMX-UWVGGRQHSA-N 294.196 3.564 30 20 CHED Cc1cc(CN2CCc3cc(F)cc(C)c3C2)ccc1C#N 1658988400 MMGCYFMAIOFQHV-UHFFFAOYSA-N 294.373 3.873 30 20 CHED CCCOc1ccnc(Oc2ccc(C#N)cc2Cl)n1 1651321099 LLABECKOTWYSEN-UHFFFAOYSA-N 289.722 3.583 30 20 CHED Cc1nc(C#N)cc(NC[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 1655058447 QBWOQZJAWKMESV-DUVNUKRYSA-N 286.423 3.777 30 20 CHED N#Cc1ccc(SCc2ccc(Cl)nn2)c(Cl)c1 1656378283 LAIWIHWXFUZGNC-UHFFFAOYSA-N 296.182 3.947 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)n1 1651801105 ITUKIKXWDWLQIU-UONOGXRCSA-N 298.777 3.532 30 20 CHED CCCCCCCCC(=O)NCc1cc(C)c(C(=O)O)o1 1595705280 UGKGBHUVLGAENM-UHFFFAOYSA-N 295.379 3.653 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc2c(c1)CCCO2 1663717128 FZBLQURXXZYKLS-UHFFFAOYSA-N 286.419 3.773 30 20 CHED CCN(C(=O)Nc1cccc(C#N)c1)c1cccc(OC)c1 1667575134 PJLZJWWSVMQLOU-UHFFFAOYSA-N 295.342 3.625 30 20 CHED CCc1cc(NCc2cccc(C(=O)O)c2C#N)ccc1F 1597482342 FIZKNXXPUOLWQN-UHFFFAOYSA-N 298.317 3.570 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)Nc2sccc2C#N)C1 1671449913 QURRDPBORYQWTA-SDDRHHMPSA-N 291.420 3.956 30 20 CHED N#Cc1ccsc1NC(=O)NCCC1CCCCC1 1678963388 WDLYLLMRGUYFQN-UHFFFAOYSA-N 277.393 3.712 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ccccc1C(=O)O 1776030187 OMXADJRYJBKLHZ-LLVKDONJSA-N 262.353 3.999 30 20 CHED C=CCCC(C)(C)CNc1c(C(=O)O)cccc1[N+](=O)[O-] 1776165405 ODFNODIPLYHGLX-UHFFFAOYSA-N 292.335 3.697 30 20 CHED C=C[C@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776064393 MKBYHZMTKYETRP-JTQLQIEISA-N 276.311 3.668 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@H](C)c2ccccc2C)C1 1776153586 IZRLIZINSAAQEF-QAPCUYQASA-N 287.403 3.799 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@H](C)CC(C)(C)C)CC1 1776159595 MQQOMXSTCAFGQJ-CQSZACIVSA-N 281.440 3.802 30 20 CHED CCCCCCCCCN(C)c1ncc(C(=O)O)c(C)n1 1776785400 SBDCPRGMBCPUFF-UHFFFAOYSA-N 293.411 3.670 30 20 CHED CC[C@@H](C)c1ccc(C=NNc2ccc(C(=O)O)nc2)cc1 1776072931 UWUYVFOWFJIDQQ-GFCCVEGCSA-N 297.358 3.739 30 20 CHED Cc1ccc(NC(=S)NN=C2CCCC[C@H]2C)cc1 13144529 OZBSRQUCTJBHSD-GFCCVEGCSA-N 275.421 3.848 30 20 CHED COCc1ccc([C@H]2CCCN2c2ccc(C#N)cc2)o1 161576881 YMLAXBIJIIVBEL-MRXNPFEDSA-N 282.343 3.639 30 20 CHED Cc1cc(-c2nnco2)ccc1NCC(C)(C)CCC#N 162965640 NVVWZMHGNIMFAI-UHFFFAOYSA-N 284.363 3.787 30 20 CHED CC(=O)c1ccc(F)cc1OCc1ccc(F)c(C#N)c1 157529521 XQFSWNMNNHURGW-UHFFFAOYSA-N 287.265 3.618 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)c1 209251429 LEFLHNDRMSEKJK-ALCCZGGFSA-N 288.730 3.950 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)[C@H]1C[C@H]2CC[C@H]1C2 251551059 LPDAQDKCFKMDMA-TWJWRFFLSA-N 272.367 3.612 30 20 CHED Cc1ccc(F)c(CNc2cccc(OCC#N)c2)c1 227113970 XKHLLDDCVZRWMG-UHFFFAOYSA-N 270.307 3.649 30 20 CHED Cc1occc1SCCC(=O)Nc1cccc(C#N)c1 229513372 FSYNYIYAVQAZHO-UHFFFAOYSA-N 286.356 3.581 30 20 CHED CCN(Cc1ccc(C(F)(F)F)cc1)C[C@H](C)C#N 42323784 OEYZLWIOUWMLOD-LLVKDONJSA-N 270.298 3.687 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1ccc(F)c(C#N)c1 160555987 ZEOYFCHHPDHKRU-CYBMUJFWSA-N 268.335 3.890 30 20 CHED C=CCOc1ccccc1CNC[C@@H]1CC=CCC1 44583688 MAFVEPRXCFEJCJ-OAHLLOKOSA-N 257.377 3.697 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1ccc(C#N)cc1F 49943069 ZOGURXMFUWBGIT-NSHDSACASA-N 286.375 3.878 30 20 CHED CCOc1cccc(CNc2cc(C#N)ccc2C)c1 50430011 MELFALNJFLZAQA-UHFFFAOYSA-N 266.344 3.878 30 20 CHED C[C@H](C#N)CNCc1ccc(-c2ccccc2)cc1 54179000 AOFRLWJJCRVKMP-CQSZACIVSA-N 250.345 3.603 30 20 CHED C=CCC(C)(C)C(=O)N(Cc1ccccc1)C1CC1 297766617 QAPFSYZLYKMNRE-UHFFFAOYSA-N 257.377 3.780 30 20 CHED C[C@H](c1ccc(Cl)cc1)N(C)CC(C)(C)C#N 405141560 UUVYNEUUXUNISL-LLVKDONJSA-N 250.773 3.883 30 20 CHED CC(C)c1nc(CN2CCCC(C)(C)[C@@H]2C#N)cs1 444732636 LQNMBWGUEZZFMZ-ZDUSSCGKSA-N 277.437 3.781 30 20 CHED CC#CCCNCc1ccc(Cl)c(C(F)(F)F)c1 499212667 LNDHHBWGGILZHX-UHFFFAOYSA-N 275.701 3.862 30 20 CHED C=C(C)CN(CCC(=O)C(C)C)Cc1ccccc1 808754413 QEXAPNWWDVJFJN-UHFFFAOYSA-N 259.393 3.680 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)CCc1ccc(OC)cc1 393794621 OEBMFNTVYDCCPC-GOEBONIOSA-N 261.409 3.961 30 20 CHED C=CC[C@H](C)N[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 788256834 HUWYPMPACCHIRZ-KKUMJFAQSA-N 296.455 3.767 30 20 CHED C=C(C)CNC(=S)NN(c1ccccc1)c1ccccc1 6158571 LRCWAUXEQSLZEI-UHFFFAOYSA-N 297.427 3.780 30 20 CHED CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 7724196 PHRKAVZMDSYXOD-ZDUSSCGKSA-N 294.354 3.527 30 20 CHED CSc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 10510756 MFNAUDNVARDIJG-UHFFFAOYSA-N 268.341 3.532 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C=C/c1ccsc1 10543358 ZYJLBJCZSNCBKW-GQCTYLIASA-N 299.351 3.637 30 20 CHED Cc1ccc2c(c1)CCCN2Cc1ccc(C#N)cc1F 11193065 ZJHPQUHAUCFSNS-UHFFFAOYSA-N 280.346 3.959 30 20 CHED N#C[C@@H](C(=O)c1ccc2c3c(cccc13)CC2)c1ccccn1 41482591 NOFTWUQLEPLMLT-QGZVFWFLSA-N 298.345 3.823 30 20 CHED CC(C)c1ccccc1NC(=O)c1sccc1C#N 52027881 WDHFTSBKTWVDKS-UHFFFAOYSA-N 270.357 3.995 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCCc2sccc21 61366890 CEAMFZNYKYPQKP-GFCCVEGCSA-N 276.405 3.572 30 20 CHED C=C(Cl)CSc1nc(NCC)c2ccccc2n1 71806727 JCUAWKLXWIBFKR-UHFFFAOYSA-N 279.796 3.906 30 20 CHED N#CCSCCCSc1ccc2c(c1)OCCCO2 75075364 JPFSBIBOVLSRJL-UHFFFAOYSA-N 295.429 3.587 30 20 CHED COc1cccc(CSCCCSCC#N)c1 75076469 PNDISTBHAFLEHK-UHFFFAOYSA-N 267.419 3.575 30 20 CHED CCCCN(C(=O)c1ccc(C#N)c(C)n1)c1ccccc1 75719820 MOGVKIRMOVKWRC-UHFFFAOYSA-N 293.370 3.709 30 20 CHED CC(=O)c1ccc(OCc2ccccc2C#N)c(C)c1 77166638 GZWAOMLVILGNAJ-UHFFFAOYSA-N 265.312 3.648 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H]2C=CCC2)n1 80455223 JDRDOWLOFASHKU-NEPJUHHUSA-N 274.389 3.799 30 20 CHED CC[C@H](C#N)OC(=O)CCSc1ccc(Cl)cc1 84714496 NSOOGRHGKBLYNR-LLVKDONJSA-N 283.780 3.668 30 20 CHED N#CCCN(CCC1CCCCC1)Cc1cccnc1 85826682 XOZKRNLDMOXMME-UHFFFAOYSA-N 271.408 3.768 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc(Cl)ccc1OC 90450956 UUPSTEUNQKZAMQ-LBPRGKRZSA-N 283.799 3.592 30 20 CHED CCOC(=O)/C(Cl)=N/Nc1ccc(C(C)(C)C)cc1 100207408 IBJFFXBTMRQSCP-ATVHPVEESA-N 282.771 3.511 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Oc1cc(F)cc(F)c1 111323383 XVLBNLJOPPMTDH-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(SC)o1 112230488 KALUDIOLJGBPAA-UHFFFAOYSA-N 293.413 3.891 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 116854385 HJDRYTJTPIMHDR-AWEZNQCLSA-N 290.366 3.920 30 20 CHED CC[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 117153923 IMHQATKYLCYBHV-OAHLLOKOSA-N 284.403 3.530 30 20 CHED C=C[C@H](CC(=O)Nc1nc(C)ccc1OC)c1ccccc1 119173335 GSJWGKXCJOCZNW-CQSZACIVSA-N 296.370 3.697 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(F)c(F)c(F)c1 119361516 UPIUZKHKNCXJRV-UHFFFAOYSA-N 272.270 3.534 30 20 CHED CC(C)Oc1cccc(CN(C)CCCCC#N)c1 120574329 ZODKJZUFEKDVST-UHFFFAOYSA-N 260.381 3.599 30 20 CHED COc1cc(C(=O)/C=C/c2cc(F)cc(F)c2)ccc1O 120818391 JSLWBZDADOSYNZ-DUXPYHPUSA-N 290.265 3.575 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N(C)C2(C#N)CCC2)cc1 126979090 VTNJIMQRMOTCGU-HNNXBMFYSA-N 298.430 3.893 30 20 CHED CN(CCC#N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 127502165 GWHYELDBNIKGEY-UHFFFAOYSA-N 299.296 3.559 30 20 CHED C=C(Br)CN[C@@H](C)c1cccc(F)c1F 132403287 QPPCNGMVIZQBCZ-QMMMGPOBSA-N 276.124 3.524 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C(F)(F)F)nc1 132883946 BEFQYVIKEJAFIS-UHFFFAOYSA-N 284.281 3.807 30 20 CHED C=CCC[C@@H](NC(=O)c1scnc1C)c1ccccc1 133726412 MQHYFYLFIQFFRY-CQSZACIVSA-N 286.400 3.889 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCCCCCCO 134655306 AGYNWNVKEUXGHC-AWEZNQCLSA-N 292.448 3.903 30 20 CHED C=CC[C@@H](C)NCc1ccc(F)cc1Br 136164862 XIDXSIJMLHKXOZ-SECBINFHSA-N 272.161 3.642 30 20 CHED Cc1cc(Cl)cc(C(=O)N(C)Cc2cccc(C#N)c2)c1 147457896 BOZJYOVOJNOELK-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C=CCOc1ccc(CNc2ccnc(Cl)c2)cc1 149190165 XBCCJIYJNAFBFW-UHFFFAOYSA-N 274.751 3.912 30 20 CHED C#CCCCCNCc1ccc(CSC(F)F)o1 150730301 GORBBKXFVFDSHN-UHFFFAOYSA-N 273.348 3.629 30 20 CHED FC(F)(F)CCCCO/N=C/c1cccs1 154140687 UVMMRRWTTRUFIL-RIYZIHGNSA-N 251.273 3.831 30 20 CHED C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(C#N)cc1 154505674 DPJRVUHEKUNZPY-SJKOYZFVSA-N 284.334 3.621 30 20 CHED C=CCCOCCN[C@H](C)c1ccccc1Cl 155647076 TXHRAZNHLYLRCQ-GFCCVEGCSA-N 253.773 3.583 30 20 CHED CC#CCCN(CCc1ccccn1)Cc1ccc(F)cc1 156614832 PARJGXYBYVYCDE-UHFFFAOYSA-N 296.389 3.679 30 20 CHED C=CCN(CC=C)Cc1cccc(OCCCC#N)c1 158126056 GOMAYMXUEUOKIX-UHFFFAOYSA-N 270.376 3.543 30 20 CHED C=C(C)CSCCC(=O)Nc1ccc(OCC)cc1 161904444 ZEHNFGVMURFMFE-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C=CCN(C)C(=O)c1cccc(OCc2cccc(C)c2)c1 161910227 WOYZGHIJINLAMM-UHFFFAOYSA-N 295.382 3.832 30 20 CHED CCc1ccc(CNc2ncccc2OCCCC#N)cc1 162247727 VVAYOEGUVKEGOW-UHFFFAOYSA-N 295.386 3.939 30 20 CHED CC[C@H](CC#N)NCc1ccc(F)c(C(F)(F)F)c1 162586009 QWDCNODWKQFCKH-SNVBAGLBSA-N 274.261 3.626 30 20 CHED C=CCCC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 162706711 QBEOJODWYHPQOZ-AEFFLSMTSA-N 269.388 3.881 30 20 CHED CCC1(CC)CCN(Cc2ccc(C#N)cc2C)C1 165496528 HCKWMMWHBLEOAT-UHFFFAOYSA-N 256.393 3.879 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CC)c1ccccc1OCC 172065869 NTQHAWFDMUGANE-DZGCQCFKSA-N 290.407 3.800 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)c1cccs1 172661566 CWRKCXAGIOPGCQ-MNOVXSKESA-N 296.351 3.869 30 20 CHED CC(C)(CCC#N)CNc1ccc(O[C@@H]2CCOC2)cc1 174420669 UXZACLUSBJRQJR-MRXNPFEDSA-N 288.391 3.596 30 20 CHED C=CCCCC(=O)NCc1ccccc1OC1CCCC1 175359808 ICDUJOQBIKZTGT-UHFFFAOYSA-N 287.403 3.981 30 20 CHED C=CCCCC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1 175401685 XAMGYTUXGVUBMW-ZDUSSCGKSA-N 288.391 3.510 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1cc(C#N)cs1)C1CC1 177046351 DCCQBMPDQANISJ-MNOVXSKESA-N 276.405 3.659 30 20 CHED CCc1cccc(NC(=O)CSc2cccc(C#N)c2)c1 177108506 MAQOZHHVXAQISA-UHFFFAOYSA-N 296.395 3.851 30 20 CHED C=CCC[C@H](NC[C@H](O)CCC=C)c1ccccc1 180046653 DFCCWCYGSPJDTK-SJORKVTESA-N 259.393 3.611 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCO[C@@H](CCC)C1 180686195 WSPAUZGSOFGVDJ-CVEARBPZSA-N 281.440 3.787 30 20 CHED C=CCCC(=O)Nc1nc(Cc2ccccc2)cs1 182003576 GZDGKIVGNZMAPF-UHFFFAOYSA-N 272.373 3.639 30 20 CHED Cc1cc(F)ccc1COC(=O)C1(C#N)CCCCC1 182441897 PGOJPIWJGHJRNC-UHFFFAOYSA-N 275.323 3.651 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1ccon1 183540167 FWFIEUSKOMCAKR-UHFFFAOYSA-N 267.373 3.889 30 20 CHED Cc1ccc(/C=C/C(=O)c2sccc2O)s1 184517418 GGFXBAHENIPGHG-SNAWJCMRSA-N 250.344 3.720 30 20 CHED Cc1cncc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)c1 184777610 NQRQAFFSNCFQQR-NSCUHMNNSA-N 277.245 3.703 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccnn2Cc2ccccc2F)C1 185887187 HBMBJCXZPZMGJZ-HIFRSBDPSA-N 298.365 3.565 30 20 CHED CC#CCCCC(=O)N[C@H](CC)CSc1ccccc1 185931551 XWHQMFURGOPUTI-OAHLLOKOSA-N 289.444 3.867 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1=CCCCCC1 186779776 KWISSFZNNJCTQK-UHFFFAOYSA-N 254.333 3.696 30 20 CHED Cc1ccc(NC(=O)CC#N)cc1OCC1CCCCC1 187001530 OTBIYKLITVDQNW-UHFFFAOYSA-N 286.375 3.806 30 20 CHED N#CCCCCN[C@@H]1CC[C@H](Cc2ccccc2)C1 189142051 NSXSRNXZMYWEHJ-IAGOWNOFSA-N 256.393 3.681 30 20 CHED COC(=O)[C@H](Sc1ccccc1C#N)c1ccccc1C 190242282 WUVAGWNGADGWBZ-MRXNPFEDSA-N 297.379 3.873 30 20 CHED CC(C)CCN(CCC#N)Cc1nccn1-c1ccccc1 191325464 GVIBEOIDLKDHNB-UHFFFAOYSA-N 296.418 3.634 30 20 CHED C#CCCCC(=O)N1CCC(CCc2ccccc2)CC1 192058130 DGASWTKUXYZOQX-UHFFFAOYSA-N 283.415 3.661 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1CCO[C@H]1c1ccccc1 192398492 ZGUGRSCKFYGCKP-ZWILPSFYSA-N 281.355 3.589 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@](C)(C=C)CC 193041296 XJPUKSSXNUGDCO-HNNXBMFYSA-N 263.406 3.865 30 20 CHED N#CCCCOC(=O)c1ccc(C2SCCS2)cc1 194231794 GYWWMKFJTWHOGV-UHFFFAOYSA-N 293.413 3.626 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C\c1ccccc1 205227460 PNVUXQGVXJZSFO-YPKPFQOOSA-N 277.367 3.915 30 20 CHED CC#CCCNCc1cc(Br)ccc1Cl 226745823 FBTCWCAPIGJBGB-UHFFFAOYSA-N 286.600 3.606 30 20 CHED COc1ccc2cc(CNc3ncccc3C#N)ccc2c1 247937553 HKIJUSIYQOPHBA-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)C[C@@H](C)O1 252105064 IUSLZAKURQIVJC-DDFAGTSDSA-N 264.756 3.580 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2ccco2)c1 255116136 WMIFITORGZSBON-HJWRWDBZSA-N 254.285 3.741 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2ccco2)c1 255497890 LVTJKLKOVXUGPM-HJWRWDBZSA-N 256.301 3.965 30 20 CHED N#Cc1ccc(/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)nc1 255554167 GMKXMLSIIWPNBO-RJRFIUFISA-N 285.690 3.685 30 20 CHED CCO[C@@H](C)c1nc(CON=Cc2cccs2)cs1 255759050 IOKWEXZGRFXGBT-JTQLQIEISA-N 296.417 3.853 30 20 CHED C=CCCC(=O)NCCCc1cccc(C(F)(F)F)c1 263958922 CZXYDHFOUFLAJF-UHFFFAOYSA-N 285.309 3.720 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 266506935 LMYOBFGJAJBKBJ-SMDDNHRTSA-N 278.783 3.761 30 20 CHED C#CC[C@H](N[C@H](C)c1csc(C)n1)c1ccccc1 271526424 PBCROTZOKYXSFD-DOMZBBRYSA-N 270.401 3.867 30 20 CHED C[C@@H](NCCOC1CCCCC1)c1ccc(C#N)c(F)c1 271951031 OLSGXIVDWXSGBU-CYBMUJFWSA-N 290.382 3.697 30 20 CHED C[C@@H](O)CN(CCCCC(C)(C)C#N)c1ccccc1 277746783 PGAVCVKWIIZNIU-OAHLLOKOSA-N 274.408 3.594 30 20 CHED Cc1cc(-c2noc(C3(C#N)CCCCC3)n2)c(C)o1 278057855 VKOLTEHTHXHBTO-UHFFFAOYSA-N 271.320 3.672 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccnn2C(C)C)CCCC1(C)C 278297331 GMEMRYVIYOGHGD-HNNXBMFYSA-N 289.423 3.671 30 20 CHED CCn1c(S[C@H]2CC[C@H](C#N)C2)nnc1-c1ccccc1 278619652 SJKJLBCAXDJAOV-JSGCOSHPSA-N 298.415 3.749 30 20 CHED CC#CCCCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 279460275 CPLDFVBQJASDBV-WBVHZDCISA-N 287.378 3.772 30 20 CHED C=C(C)CN1CCC(N[C@@H](c2cccnc2)C2CCC2)CC1 280895564 PJNILPYWNJCQBL-LJQANCHMSA-N 299.462 3.553 30 20 CHED CC(C)(C#N)CCOc1ccc(OCC(F)(F)F)cc1 281966689 RENMPTBOBNHDEW-UHFFFAOYSA-N 287.281 3.946 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(c2ccnc(C#N)c2)C1 286367294 LEWPIGLTSXZGJT-GUYCJALGSA-N 263.344 3.541 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 293389865 NNLUSTQDIACYTR-GFCCVEGCSA-N 290.363 3.683 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(NC(=O)OC)c(F)c1 293480375 NCVSLKORVFAXTL-UHFFFAOYSA-N 294.326 3.545 30 20 CHED C=CCC[C@H](C)NCc1ccnc(C(F)(F)F)c1 295036650 MFOQDGVYCFATIA-JTQLQIEISA-N 258.287 3.545 30 20 CHED CC(C)n1ccnc1SCCOc1ccc(C#N)cc1 295622726 ALLJFKLEBSDQRD-UHFFFAOYSA-N 287.388 3.507 30 20 CHED C=CCCc1noc([C@H](C)[C@@H]2OCCc3sccc32)n1 297290463 LSVWKSINAXRYGQ-YGRLFVJLSA-N 290.388 3.667 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)[C@@H]2CCCS2)s1 297816750 PRXHPWZBBLIZFJ-JTQLQIEISA-N 294.445 3.751 30 20 CHED C[C@@H](Nc1nc2ccccc2o1)c1cccc(C#N)c1 301453071 QXZJRWQZDDJDNV-LLVKDONJSA-N 263.300 3.873 30 20 CHED C[C@H](CNc1ccc(C#N)cc1F)Oc1ccccc1F 301474128 VJPDYQYGGPFUJJ-LLVKDONJSA-N 288.297 3.716 30 20 CHED Cc1ccc(C)c(N2CCN(c3ccc(C#N)cc3)CC2)c1 301725713 UZDAEKUNJWWIIB-UHFFFAOYSA-N 291.398 3.502 30 20 CHED CCOc1ccccc1[C@@H](CC)Nc1cccc(C#N)n1 301814976 CYJNQXUDWMVMAW-OAHLLOKOSA-N 281.359 3.915 30 20 CHED C[C@@H](CCNc1c(F)cc(C#N)cc1F)N1CCCCC1 302127487 FZECDKMOHBNQEW-LBPRGKRZSA-N 293.361 3.513 30 20 CHED C=CCCCCNc1nc(C(F)(F)F)cs1 302281738 UUXPBPDFJGZBEA-UHFFFAOYSA-N 250.289 3.930 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc(CCCC)cc1 302816564 PLKPHJVIZZVQMO-UHFFFAOYSA-N 273.420 3.996 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1cccc(C)c1)c1ccccc1 303001144 YGWZVOSVVOJMFK-MRXNPFEDSA-N 295.382 3.982 30 20 CHED C=CCC(C)(C)CNCc1ccc(OC)c(OCC)c1 312563741 QJRWVQNKZYLERE-UHFFFAOYSA-N 277.408 3.786 30 20 CHED N#Cc1cccc(CSc2cccc([N+](=O)[O-])c2)c1 313538114 GATQTBQKIQRMLD-UHFFFAOYSA-N 270.313 3.759 30 20 CHED Cc1noc(C)c1C/N=C(/O)[C@H]1CCC(=O)c2ccccc21 328879335 VEOVZJGIHATDNO-AWEZNQCLSA-N 298.342 3.508 30 20 CHED CC(C)(C)c1ncc(N=C(O)c2ccnc(C3CC3)c2)cn1 329355734 ZBBNYMLVOJWZDO-UHFFFAOYSA-N 296.374 3.683 30 20 CHED CC(C)(C)c1csc(N=C(O)[C@@H]2CCCOCC2)n1 330255834 KFMUIDPWAPXRCL-SNVBAGLBSA-N 282.409 3.845 30 20 CHED N#CC1(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CCCCC1 332915144 VQPJNJNWDJRGPQ-QLFBSQMISA-N 274.408 3.545 30 20 CHED N#Cc1cnc(C(=O)Nc2ccccc2Cl)c(Cl)c1 334877863 UTVQBSRSRYCZIB-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#CC1(N(C(=O)c2cc(F)ccc2Cl)C2CC2)CCC1 335164898 VZVDLOVHVSTANF-UHFFFAOYSA-N 292.741 3.530 30 20 CHED C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(C#N)s1 335186144 WVCDZDZRBDCXOS-SNVBAGLBSA-N 288.347 3.592 30 20 CHED CSc1ccccc1[C@H](C)NC(=O)CC(C)(C)C#N 337136527 DWLJQKUUGBDDOC-NSHDSACASA-N 276.405 3.526 30 20 CHED C=CCCSCC(=O)N(C)Cc1ccc(CC)cc1 339090506 JEOWNNARMQIHGI-UHFFFAOYSA-N 277.433 3.517 30 20 CHED Cc1nsc(N[C@@H](C)c2c(F)cccc2F)c1C#N 341560467 SJPBQSMSOLZPCK-QMMMGPOBSA-N 279.315 3.775 30 20 CHED C[C@@H](CC1CCOCC1)N[C@H]1CCCc2cc(C#N)ccc21 341663374 ZUJHYGRYUZJWFX-LIRRHRJNSA-N 298.430 3.730 30 20 CHED N#Cc1cccc(CN2CCC=C(c3ccccc3)C2)c1 341997144 VSQXROSJYWEWAP-UHFFFAOYSA-N 274.367 3.848 30 20 CHED CCCN(CC1(C#N)CC1)[C@H]1CCc2ccccc21 343324835 YBIUZIZPQZGYND-INIZCTEOSA-N 254.377 3.690 30 20 CHED Cc1ccnc(N[C@H]2CCOc3c(Cl)cccc32)c1C#N 343534420 RRTVPGQLOHQUHD-AWEZNQCLSA-N 299.761 3.851 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(F)c1 345375108 BHCNMMYZAONFLA-UHFFFAOYSA-N 283.346 3.963 30 20 CHED C=CCOc1ccc(C(=O)N2CCS[C@H]2CCC)cc1 345460676 IJKRJZDLSXETOY-HNNXBMFYSA-N 291.416 3.567 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CC[C@H](c3ccccc3)O2)CC1 346486929 FGKLJTKMHCZRAZ-DLBZAZTESA-N 299.414 3.769 30 20 CHED C=CCC[C@H](N[C@H](C)[C@@H]1CCCO1)c1ccccc1 346625419 CEQSGRKQTUIADS-PVAVHDDUSA-N 259.393 3.851 30 20 CHED COC(=O)c1ccc(Cl)c(/C=C/c2ccncc2C#N)c1 349106963 ISTXXEGWXIMIJL-NSCUHMNNSA-N 298.729 3.564 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)[C@@H](C)c1ccco1 350652019 GLGRIXNHLXBQEA-STQMWFEESA-N 288.395 3.768 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@H]1CCC1CCCC1 350752444 OEJJSVCNRBAJMJ-INIZCTEOSA-N 288.439 3.712 30 20 CHED C=C(C)CCN(C)Cc1ccc(OC)c(OC(F)F)c1 351864120 XLDJSCZKJHTQKS-UHFFFAOYSA-N 285.334 3.695 30 20 CHED COC1(CN[C@@H]2CCc3ccc(C#N)cc32)CCC(C)CC1 353597608 QAMHMMJLGOBDPH-PJOPYLDSSA-N 298.430 3.730 30 20 CHED CN(Cc1cccc(-c2ccncc2)c1)CC(C)(C)C#N 354016781 CREOEUJKJIJKJN-UHFFFAOYSA-N 279.387 3.730 30 20 CHED C=CCCC1(C(=O)Nc2nnc(CCCC)s2)CC1 354926114 GKWUTCHJNVQTEB-UHFFFAOYSA-N 279.409 3.566 30 20 CHED CC[C@@H](NCCc1cccc(C#N)c1)c1ccccc1 355674396 VGYKSXSRRDSKFV-GOSISDBHSA-N 264.372 3.842 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)Cc2nc(C#N)cs2)c1 356057867 FVUYATJGCPYZBJ-CYBMUJFWSA-N 285.416 3.825 30 20 CHED CSC1(CN(Cc2ccc(C#N)cc2)C2CC2)CCC1 356087860 BZTFANRQPALQSS-UHFFFAOYSA-N 286.444 3.808 30 20 CHED C=CC1CCN(C(=O)CCc2ccc3ccccc3n2)CC1 362779885 HDECSMIWLDTLPY-UHFFFAOYSA-N 294.398 3.592 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)ccc1F 398060780 BOPNCVSKAFQARL-JTQLQIEISA-N 269.747 3.954 30 20 CHED Cc1cccc(C)c1OCc1ccc(CC#N)cc1 399126253 KMLXHAUHDSWWNJ-UHFFFAOYSA-N 251.329 3.949 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 410829852 SLEUDZRJLYPSAP-SDDRHHMPSA-N 290.329 3.506 30 20 CHED CCc1ccccc1C(=O)N1CCCc2cc(C#N)ccc21 411004789 XWQRWMQHJXKQRW-UHFFFAOYSA-N 290.366 3.714 30 20 CHED CCN(Cc1ccccc1Br)[C@@H](C)CCC#N 411670924 GWSGFQUBWBLMLX-LBPRGKRZSA-N 295.224 3.963 30 20 CHED CC(C)[C@@H](SCCC#N)C(=O)Nc1ccccc1Cl 413016440 VYAXODHFEVXISJ-CYBMUJFWSA-N 296.823 3.950 30 20 CHED N#Cc1cnc(N2Cc3ccccc3C3(CCC3)C2)c(F)c1 413281278 MRRAOZXIWHYJQB-UHFFFAOYSA-N 293.345 3.534 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(C)on1 414297894 HUGGJDCGGWXJQE-GOEBONIOSA-N 270.376 3.821 30 20 CHED C[C@@H](CC(F)F)C(=O)Nc1sc2c(c1C#N)CCCC2 414670013 CLVHXMKHHLMHEK-QMMMGPOBSA-N 298.358 3.728 30 20 CHED CC(C)c1ccc(C(=O)N2CCc3cc(C#N)ccc32)s1 416010432 HBIOBTVLYWOPLR-UHFFFAOYSA-N 296.395 3.946 30 20 CHED C/C=C\c1ccc(OCC2(C#N)CCC2)c(OC)c1 418800594 XFZVRODYFKRSJK-HYXAFXHYSA-N 257.333 3.801 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 425114811 SXBNQHXWNIMTRE-ISWURRPUSA-N 282.387 3.514 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCCC(F)(F)F 425123150 DHTXKQMCUKYTEJ-NSHDSACASA-N 298.308 3.810 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1cc(C)ccc1OC 429918272 FCHVPQRDNWSSRW-CYBMUJFWSA-N 275.392 3.783 30 20 CHED C=CCCC[C@@H](C)N1C(=O)NC2(CCC(CC)CC2)C1=O 431269176 IARRBWVADXASGP-TUBUQKNSSA-N 292.423 3.622 30 20 CHED CCN(Cc1ccc(OC)cc1)c1ccc(C#N)cc1 432047148 GXCYUQKVLVFKRN-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1c(Cl)cccc1[N+](=O)[O-] 432147506 HIANHDAJAOZBGU-HZMBPMFUSA-N 296.754 3.641 30 20 CHED N#Cc1cccc(C2(C(=O)Nc3cc(F)cc(F)c3)CC2)c1 435154870 HXPNHVNZWOQGEX-UHFFFAOYSA-N 298.292 3.507 30 20 CHED CCOc1cccc([C@@H]2C[C@H]2Nc2ccc(C#N)cc2)c1 435574920 BKXNHCJZJDFIBC-ZWKOTPCHSA-N 278.355 3.925 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](Cc1ccccc1)C1CC1 436312983 LAWYYGWWQFYVMF-OTWHNJEPSA-N 285.431 3.579 30 20 CHED CCOCc1cc(CNc2ccccc2C#N)ccc1OC 438929996 VGTKFSMTWUWKMA-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1nc(C2CCC2)cs1 442073452 AILLGIWWAPCAQC-LLVKDONJSA-N 279.409 3.887 30 20 CHED C=CCCCN(C)C(=O)Nc1ccc2ccoc2c1 443394341 YPSQBHOPNFUTKJ-UHFFFAOYSA-N 258.321 3.863 30 20 CHED C=CC[C@H]1N(S(=O)(=O)c2cccs2)CCCC1(C)C 443986262 FXAKTUCFNHSAMY-GFCCVEGCSA-N 299.461 3.504 30 20 CHED C=CC[C@H]1N(C(=O)NC[C@@H]2CCSC2)CCCC1(C)C 448256550 PHLKPSVSPLULAD-UONOGXRCSA-N 296.480 3.516 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1OC 448831193 OZPHAIPFEXSGCC-KBPBESRZSA-N 286.375 3.722 30 20 CHED CC1(C#N)CCC(N[C@@H]2COc3ccc(Cl)cc32)CC1 449188715 ODLKFXOJEMDFRW-CXOJTPOUSA-N 290.794 3.836 30 20 CHED CCc1cc(=N[C@@H](CCC#N)c2ccccc2)cc[nH]1 450386326 FJCHZXPTJMIWAM-KRWDZBQOSA-N 265.360 3.523 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c(Cl)c1 452652179 XXNMDQMKPPEYAV-AVGNSLFASA-N 286.762 3.557 30 20 CHED C=CCC[C@@H](NCCc1ccc(C)cn1)c1ccco1 453441075 WZLXIGBGNZCUML-MRXNPFEDSA-N 270.376 3.823 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C)cc1Cl 454159980 FCFZQIJUMPGKMA-UHFFFAOYSA-N 252.745 3.736 30 20 CHED CC[C@@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)C1CCCC1 454345177 IYWXDUSFCAYTGC-CXAGYDPISA-N 299.418 3.887 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(CSC)cc1 454680042 HNOARNLCXQEQSR-UHFFFAOYSA-N 264.394 3.637 30 20 CHED C=C(CC)CNC(=O)Nc1c(C)cccc1Cl 455143305 AXYBBRBBRUCUDW-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=CCN(CCOC)C(=O)Nc1cc(C)c(C)cc1Cl 455740659 FHJWCGBVIMJZEX-UHFFFAOYSA-N 296.798 3.623 30 20 CHED C=CCC1(NC(=O)CCCOC(C)C)CCCCC1 456374911 XLIOBINCZWCVKA-UHFFFAOYSA-N 267.413 3.587 30 20 CHED CC(C)c1c[nH]nc1NC(=O)C[C@H](CC#N)c1ccccc1 456724524 DRTVBOKVQVKOID-AWEZNQCLSA-N 296.374 3.559 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 456846705 UYHQSYLJMCUULL-HIFRSBDPSA-N 288.366 3.530 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)NCc2ccc(C#N)cc2)C1(C)C 457429589 YWEHTMXHFPBRGO-UGSOOPFHSA-N 284.403 3.637 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCC(C)(C)C1CC1 458855063 BIUFSHNQLIOZLX-CQSZACIVSA-N 264.413 3.563 30 20 CHED CC(C)(C)C1CC(NCCc2cccc(C#N)c2)C1 459526261 HZHVXFSPZMWZKG-UHFFFAOYSA-N 256.393 3.515 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cc(C)c(C)c(C(=O)OC)c1 464644772 AABNMNVQYRZYHJ-GFCCVEGCSA-N 289.375 3.631 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(COc2ccc(C)cc2C)o1 465103844 QPDSZZQADJYDIY-CQSZACIVSA-N 299.370 3.780 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCOc1ccccc1Cl 466363777 XZRMHHDMVMGDSX-MRXNPFEDSA-N 295.810 3.780 30 20 CHED C=CCOCCCN1CCC(C)(c2ccccc2)CC1 470768826 FPGPHHYOWOJAFS-UHFFFAOYSA-N 273.420 3.633 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 478907196 FXSRAGVWWJLYIT-CQSZACIVSA-N 285.391 3.848 30 20 CHED N#CC1(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 481845083 QDYKZVBCVRDEPK-UHFFFAOYSA-N 274.795 3.823 30 20 CHED C=CCN(CC=C)Cc1cc(OC)ccc1Cl 483515805 WOHBOGNNBRRJLQ-UHFFFAOYSA-N 251.757 3.523 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(-c2ccccc2)cn1 484687182 BRBXIOKNHRELGZ-QGZVFWFLSA-N 281.359 3.684 30 20 CHED C=CCCCCCN1CCC[C@H]1CN1CCCCC1 487911213 IFZLEIIXJLRDSW-KRWDZBQOSA-N 264.457 3.683 30 20 CHED C=C(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 488586314 YPQGZEITGMIZGG-RDJZCZTQSA-N 286.419 3.788 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 488714337 FDDZOTPZIJNLNM-LEUOFYLZSA-N 283.415 3.899 30 20 CHED Cc1cc(C(C)(C)C)cc(C)c1COc1cnc(C#N)nc1 488805714 LSFNIOBAMLSJQA-UHFFFAOYSA-N 295.386 3.842 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccc(CC)cc1 488840324 HDLYAVWEDIIJCX-KRWDZBQOSA-N 271.404 3.749 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2cc(Cl)ccc2n1C 489438575 MHUILXLVEIERIT-ZDUSSCGKSA-N 289.810 3.767 30 20 CHED N#Cc1cccc(CNC[C@@H]2CCCCC(F)(F)C2)c1 491598107 CKFOPKLQVTZGLB-OAHLLOKOSA-N 278.346 3.863 30 20 CHED CCCc1sc(C(=O)N(CC)C[C@@H](C)C#N)cc1CC 500810744 WRJGJUPPDHTLPH-LBPRGKRZSA-N 292.448 3.885 30 20 CHED C=CCSCC1(COc2cccc(COC)c2)CC1 503946035 LPKORFPZUJRLEM-UHFFFAOYSA-N 278.417 3.911 30 20 CHED C=CCOc1ccccc1C(=O)N1CC(CC)(CC)C1 504103151 JABJEVWFTGKRAR-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C=CCSCCNC(=O)[C@@H](c1ccccc1)[C@H](C)CC 508884158 XWTTWIHBLANRQR-GDBMZVCRSA-N 291.460 3.852 30 20 CHED C=CCCCCCN(C)C(=O)N(C)C1CCCC1 510275708 VRGCEEYWTODFGO-UHFFFAOYSA-N 252.402 3.659 30 20 CHED N#CCCCCSc1nnc(-c2ccc(F)cc2)o1 514468930 REVABKBCVLNWBE-UHFFFAOYSA-N 277.324 3.662 30 20 CHED CCN(CC#N)CC(Cc1ccccc1)Cc1ccccc1 516168971 ROLYVZPSEKUSJE-UHFFFAOYSA-N 292.426 3.933 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccc(OC3CCCCC3)nc2)C1 518473113 NVWRYRORBLIYFD-GDBMZVCRSA-N 299.418 3.575 30 20 CHED N#Cc1ccccc1SCCCC1CCOCC1 519174389 JUKACHOBPVIHRU-UHFFFAOYSA-N 261.390 3.857 30 20 CHED CC1(C)[C@H]2CC[C@@H](NC(=O)Nc3ccc(CC#N)cc3)[C@H]1C2 519392094 RTQJLTDIZVCIGO-NUEKZKHPSA-N 297.402 3.699 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccnc(OC3CCCCC3)c2)C1 521531465 KAWVYBLUADGSHL-ZBFHGGJFSA-N 299.418 3.575 30 20 CHED CCC1CCC(CNC(=O)NCc2ccc(C#N)cc2)CC1 522974286 GYRFTACAOZNTNB-UHFFFAOYSA-N 299.418 3.574 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(O)c3ccccc23)c1 530751029 BOVQPCDZDKUMMM-UHFFFAOYSA-N 294.335 3.731 30 20 CHED O=C(NCC#Cc1ccccc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 535906584 OLBXXIDBXSCIIA-GUDVDZBRSA-N 295.426 3.761 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 537185614 LFIHFMHUTJCGAT-ZIAGYGMSSA-N 285.391 3.663 30 20 CHED CCOc1cccc([C@H]2C[C@@H]2Nc2ccc(C#N)cc2)c1 537189720 BKXNHCJZJDFIBC-MSOLQXFVSA-N 278.355 3.925 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@H](CC(C)C)C1 537201498 GXWBJZAVEPQQNK-MRXNPFEDSA-N 281.440 3.644 30 20 CHED Cc1ncsc1CN(C)c1ccc2cc(C#N)ccc2n1 537877742 NELGXXSUAHBVQR-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C=C(C)COc1cccc(NC2CC(OCC)C2)c1 542139087 QGKHELXBPJGMDJ-UHFFFAOYSA-N 261.365 3.621 30 20 CHED C[C@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2)CC[C@H]1C 544545362 ITXMVGLFAUPXJA-DVOMOZLQSA-N 285.391 3.699 30 20 CHED Cc1cccc(C)c1[C@H](C)NCCOc1ccccc1C#N 546227903 GAUDSOQIUPIBFN-INIZCTEOSA-N 294.398 3.905 30 20 CHED N#CCC[C@@H](C#N)CNCC1(c2ccccc2)CCCCC1 554487869 XKIYOMTZNQVGCW-KRWDZBQOSA-N 295.430 3.922 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(/C=C\C)cc1 557936408 DXQLGZAFVPMVON-KSLSASGISA-N 271.360 3.639 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1cc2ccccc2o1 559101332 GLSLKGIAUVKAJN-CQSZACIVSA-N 284.359 3.683 30 20 CHED C=CCC(C)(C)CNCc1conc1Cc1ccccc1 559308714 UZXMMAFNJVHAEV-UHFFFAOYSA-N 284.403 3.957 30 20 CHED CCN(CC)C[C@@H]1CCCC[C@H]1NCc1ccccc1C#N 559328312 LGRVQNKPHKUYJZ-RBUKOAKNSA-N 299.462 3.548 30 20 CHED C=CCN(CCc1ccccc1)CCC(C)(C)CC(=O)O 563280625 YSGSFGZNIIOZQE-UHFFFAOYSA-N 289.419 3.608 30 20 CHED COc1cccc2c1CCC[C@H]2NCc1ccc(C#N)s1 566083066 PVHXCEGGHBOJKO-MRXNPFEDSA-N 298.411 3.796 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1conc1CC 569378711 ZJMGCSUNVPWJME-UHFFFAOYSA-N 287.359 3.862 30 20 CHED CC[C@H](CSc1ccc(C)c(C)c1)NCCC#N 570795357 RIOJACLGWFWYQL-CQSZACIVSA-N 262.422 3.677 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572701657 GOJHIJUJDNANCW-TWILYEHCSA-N 296.414 3.747 30 20 CHED C=CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)CCC 574003718 KQDXBJPZAOEFFJ-GFCCVEGCSA-N 288.395 3.657 30 20 CHED C=CCCCCN[C@H](C)[C@H]1OCCc2sccc21 578293485 ZPTBEANAYJILKX-IUODEOHRSA-N 265.422 3.696 30 20 CHED C=CCC(F)(F)c1nc(Cc2cc(C)ccc2C)no1 578627619 MVBHCTFQYKZFDH-UHFFFAOYSA-N 278.302 3.945 30 20 CHED N#Cc1cc(=NCc2cc3ccccc3[nH]2)[nH]c2ccccc12 580125186 WMGZDWPULVNXFP-UHFFFAOYSA-N 298.349 3.622 30 20 CHED C=C(C)COCCN[C@H](C)c1cccc(C2CC2)c1 580174926 WIQWDOTWHGGTHR-CQSZACIVSA-N 259.393 3.807 30 20 CHED N#Cc1ccc(CSc2ccc(F)cc2F)nc1 581348522 JGTFSVMYYONEKO-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H](C)C2CCC2)cc1 584121230 FWHBRFLBYYGEJA-DYVFJYSZSA-N 284.403 3.708 30 20 CHED CSc1ccccc1C(=O)/C=C\c1cccc2nccn12 588618067 DJRMKVCPSXWTNQ-KTKRTIGZSA-N 294.379 3.952 30 20 CHED COc1cccc(/C=C\C(=O)c2ccccc2C#N)c1F 588618980 KIHRPYXVDMARBB-KTKRTIGZSA-N 281.286 3.602 30 20 CHED C=C(C)COc1cccc(NC(=O)Cc2ccccc2F)c1 589384570 IYLQQFPZTUIBOJ-UHFFFAOYSA-N 299.345 3.962 30 20 CHED C=C(CNCc1ccccc1N(C)C)c1ccccc1 589645891 FKEVLCVDEGSHCW-UHFFFAOYSA-N 266.388 3.556 30 20 CHED N#Cc1ccc(-c2ccccc2C[C@H]2CCCCN2)s1 593950915 BYSCUZVIVBBTTP-CQSZACIVSA-N 282.412 3.971 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCCC[C@H]1C 593958344 JWJPEWYULBXGCC-RKVPGOIHSA-N 298.430 3.774 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@]1(C)CCCc2ccccc21 599735796 WVEIIYVMJRXJBO-SFHVURJKSA-N 298.430 3.727 30 20 CHED CCN(C(=O)c1cc(-c2ccccc2)oc1C)[C@H](C)C#N 600109174 HAPCVEVPLCGHGA-GFCCVEGCSA-N 282.343 3.629 30 20 CHED N#CCc1ccccc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 600977690 LKPMNWQZCDVXCL-USXIJHARSA-N 296.414 3.841 30 20 CHED C[C@@]1(C#N)CCCN(c2nc3ccc(F)cc3s2)C1 603334643 LZIYWLQAHYGTQJ-AWEZNQCLSA-N 275.352 3.565 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1c(F)cc(C#N)cc1F 610280231 JHQXJOCBSLMVJU-RDJZCZTQSA-N 284.309 3.979 30 20 CHED CC(C)c1ccsc1C(=O)Nc1cc(CC#N)ccn1 610791433 ILHGEEQVTRFDME-UHFFFAOYSA-N 285.372 3.585 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)NCC(C)(C)C#N)cc1 611693070 BUTXRGVSBKQTHE-AWEZNQCLSA-N 286.419 3.655 30 20 CHED N#Cc1ccc(Oc2ccc(OCC(F)F)cc2)cc1 613328325 NSFCSJSUYPCPMY-UHFFFAOYSA-N 275.254 3.994 30 20 CHED COc1ccc(COCCSCCC(C)(C)C#N)cc1 616302224 ROMKLIRXTWFDMH-UHFFFAOYSA-N 293.432 3.885 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccccc1C)[C@@H](C)COC 617579580 HMJQZTHSFNOTTF-CVEARBPZSA-N 289.419 3.538 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cnccc2C(F)(F)F)C1 617777117 ILVDXQHICMOTSF-NSHDSACASA-N 298.308 3.529 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C(C)C)nc2)C1 617782962 PXUYRALGGQYNJD-CQSZACIVSA-N 272.392 3.633 30 20 CHED CC[C@H](NCc1ccoc1C)c1ccc(C#N)cc1 618566881 OXUVUOBYFLKEAS-INIZCTEOSA-N 254.333 3.701 30 20 CHED C=CCC1(NC(=O)[C@@H](CC)OC2CCCC2)CCCC1 619107939 MCFMYTOALYNOIO-OAHLLOKOSA-N 279.424 3.729 30 20 CHED Cc1ccc2c(c1)N(C[C@H](C)CCC#N)C[C@H](C)O2 619568573 AJFLUSCDDMCJGF-KGLIPLIRSA-N 258.365 3.522 30 20 CHED C=C[C@H](C)NC(=O)[C@H](CCC)c1cccc(Cl)c1 626066273 CGYPNKQBXZJWHP-SMDDNHRTSA-N 265.784 3.914 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2oc(C)nc12 633347239 UWSHKACFKQQLLW-HNNXBMFYSA-N 258.321 3.677 30 20 CHED C=C[C@@H](CC(=O)NC/C=C/c1cccnc1)c1ccccc1 647811896 OORJLCVOKUHJGB-LKUPDRCFSA-N 292.382 3.571 30 20 CHED C=CC(C)(C)c1nc([C@@H](C)c2cccc(OC)c2)no1 651215798 XGBVNOIIIIJSSH-NSHDSACASA-N 272.348 3.694 30 20 CHED C=CC[C@@H](C)N[C@@H](c1ccc(OC)cc1)c1ccccn1 652166392 QNRQKLPQRJPSAT-KDOFPFPSSA-N 282.387 3.734 30 20 CHED C=CC[C@H]1CCCN(Cc2oc(CCC)nc2C)C1 661383503 DJJZZGNRUNDYEP-AWEZNQCLSA-N 262.397 3.724 30 20 CHED C=CCCCCCN(C)C(=O)NCCC(C)(C)F 661749864 MKQOCTWHZYMKRP-UHFFFAOYSA-N 258.381 3.512 30 20 CHED C=CCCNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 665944823 UERXVTCDGMFDDT-OAHLLOKOSA-N 294.345 3.778 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](CC)C1CCOCC1 666238541 LJWDYSZKUXYOEZ-MOPGFXCFSA-N 287.447 3.969 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CC[C@H](C2CCC2)C1 666432238 KAYCPNGWUPUGLL-ZFWWWQNUSA-N 288.439 3.604 30 20 CHED C=C(CNC(=O)c1ccc(C)c(F)c1)c1ccccc1 672482234 YTLDDFZUTOFPEW-UHFFFAOYSA-N 269.319 3.577 30 20 CHED C=CCC[C@H](C(=O)NC[C@@H](C)C1CC1)c1ccccc1 681654294 LGSFCHOMXJDQGU-PBHICJAKSA-N 271.404 3.899 30 20 CHED C=C(C)CNC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 681706720 KWRBWSHPXOQDAU-UHFFFAOYSA-N 285.347 3.656 30 20 CHED C[C@H](CC1CCCC1)NCc1ccc(OCC#N)cc1 712576899 FJJMETCRZKIMBN-CQSZACIVSA-N 272.392 3.647 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2snc(Cl)c2C#N)o1 725788274 PUVYLIRXNJLJCV-APPZFPTMSA-N 293.779 3.997 30 20 CHED c1nc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c2ccsc2n1 725819441 NKNAACANZWTJOU-BLFANLJRSA-N 298.415 3.915 30 20 CHED Fc1cc(C=NNc2ncccc2Cl)cc(F)c1F 727969328 DGABTXBXBIDBRY-UHFFFAOYSA-N 285.656 3.598 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(O)c(F)c1 728430247 PMUSKDMFLGKWCU-UHFFFAOYSA-N 280.249 3.646 30 20 CHED C[C@H]1CCCCC1=NN=c1cc[nH]c2ccccc12 730148535 WWSKYLAYYWUNIR-LBPRGKRZSA-N 253.349 3.635 30 20 CHED C=CCCOC(=O)[C@H](C)CSc1ccccc1 732497246 JXAZBHDGUNDOTG-GFCCVEGCSA-N 250.363 3.534 30 20 CHED COc1ccc(O)c(C=Nc2ccc(OCC3CC3)cc2)c1 733081206 QWJQHOWMWUYELE-UHFFFAOYSA-N 297.354 3.940 30 20 CHED C[C@H](C(=O)OCc1cn2ccccc2c1C#N)C(C)(C)C 734624031 AZVJTMSXQFZAGA-GFCCVEGCSA-N 284.359 3.536 30 20 CHED CCc1nn(C)c(Cl)c1C=NNc1ccccc1Cl 734744188 FKSVTFAZHVQDIM-UHFFFAOYSA-N 297.189 3.735 30 20 CHED C=CCCCOC(=O)c1ccc2nc(CC)c(CC)nc2c1 735524066 HXEUUEKRCLXANK-UHFFFAOYSA-N 298.386 3.878 30 20 CHED COc1cccc(NN=Cc2cccc3c2OC(C)(C)C3)c1 737427996 SYUAINBBRRDFCE-UHFFFAOYSA-N 296.370 3.855 30 20 CHED C=C(Cl)CNC(=O)C1(c2cccs2)CCCCC1 737858168 RXCCCNUOXQOLQY-UHFFFAOYSA-N 283.824 3.819 30 20 CHED Oc1ccccc1/C=N\CC1(c2cccc(F)c2)CC1 739427753 YBJXAMBABYWKOB-ODLFYWEKSA-N 269.319 3.682 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cn1)C1CC1 741161163 JLYOHJAHGNKYCT-UHFFFAOYSA-N 257.259 3.688 30 20 CHED CCCCCCCCOCC(=O)N1C[C@@H](C)C[C@@H]1C 741695273 UTHGDQUUWSFIIC-GJZGRUSLSA-N 269.429 3.620 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CCCCCCC2)C1 741696748 RLFYYICRBISSIY-RHSMWYFYSA-N 276.424 3.936 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1 742436434 KESSQPDMAFQGBF-VMPITWQZSA-N 294.350 3.759 30 20 CHED C#CCOC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 744040896 VEZNOWXOTJVSNV-UHFFFAOYSA-N 290.240 3.561 30 20 CHED C=C(C)CCOC(=O)CCc1ccc(OC)c(Cl)c1 744304756 BRDFDPSFVPWAAV-UHFFFAOYSA-N 282.767 3.791 30 20 CHED COc1ccc([C@@H](C)[C@@H](C)NCc2ccc(C#N)cc2)cc1 747100114 RLRDECDOBCDNAL-LSDHHAIUSA-N 294.398 3.849 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1nnc(-c2cccs2)o1 748233496 BMOZZFKMEORULE-JTQLQIEISA-N 292.360 3.759 30 20 CHED C=CCCCC(=O)OCc1cccc(OC(F)F)c1 748240588 QQUHILUKTZZRNX-UHFFFAOYSA-N 270.275 3.688 30 20 CHED N#Cc1cccc(C2(NC(=O)/C=C/C3CCCCC3)CC2)c1 749016014 QTAMXWXPQDAIDD-MDZDMXLPSA-N 294.398 3.800 30 20 CHED C=C(Br)CN1C[C@H](C)[C@H]1c1ccccc1 749115876 UOUSVWQZZBWLNR-GWCFXTLKSA-N 266.182 3.588 30 20 CHED C/C(=C\C(=O)N(C)c1ccc(C#N)cc1)c1ccccc1 749151077 RQBGWCOTQBTYMY-WYMLVPIESA-N 276.339 3.625 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CCC2CCC2)cc1 749364046 VCRBSUHEOOBNMJ-UHFFFAOYSA-N 270.376 3.822 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cc(C)ccc2C)o1 749453427 SWQZJVLCLUGJMN-SOFGYWHQSA-N 284.311 3.579 30 20 CHED CC(C)CON=Cc1ccccc1OCc1ccncc1 749631974 UFMSIZZJTZNFSD-UHFFFAOYSA-N 284.359 3.667 30 20 CHED N#Cc1ccc(C(=O)OC[C@@H]2CCc3ccccc32)s1 750705177 GIKDVZHVZAEKDC-LBPRGKRZSA-N 283.352 3.507 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H]1CCCCC1(C)C 751750664 WFLSAQFUQFBRAF-HNNXBMFYSA-N 278.440 3.991 30 20 CHED O=C(/C=C/c1ccccc1F)c1cc(F)ccc1[N+](=O)[O-] 752875723 TVZDSXIFDDXAQP-VMPITWQZSA-N 289.237 3.769 30 20 CHED CCCCCCCN1CC[C@@H](C2CCOCC2)C1 755057551 QDYAAZVDEURJSV-MRXNPFEDSA-N 253.430 3.705 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cccc(Cl)c1)OCC 756481654 LXCZEIMXXORQTG-CYBMUJFWSA-N 268.740 3.617 30 20 CHED C[C@H](C#N)OC(=O)CCCc1cc(Cl)sc1Cl 756511490 IPBNYTMOWCIPJX-SSDOTTSWSA-N 292.187 3.833 30 20 CHED C#CC[C@H](NC(=O)N(CC)Cc1ccoc1)c1ccccc1 757059827 WLSBRRCEJIINPG-KRWDZBQOSA-N 296.370 3.576 30 20 CHED C#CCCCCNC(=O)/C=C(\C)c1cccc(Cl)c1 758631909 RGJFEBPFFODZOE-ACCUITESSA-N 275.779 3.663 30 20 CHED COCCCC(C)=NNc1ccc(Cl)c(F)c1 759206255 WQHLXYZXMNPAEX-UHFFFAOYSA-N 258.724 3.694 30 20 CHED C=C(CC)COC(=O)c1scnc1C1CCCC1 759757159 KVEZTURRDGZASG-UHFFFAOYSA-N 265.378 3.924 30 20 CHED CCC(C)(C)CCN1CCO[C@H](c2cccc(C#N)c2)C1 761764524 BFUPZXFBEILKHW-KRWDZBQOSA-N 286.419 3.758 30 20 CHED COc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)ccc1F 763502916 VECYHFDGUBDMFZ-LLVKDONJSA-N 299.301 3.624 30 20 CHED c1nc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c2sccc2n1 764840703 JUOCIUQGLJKTHM-KXNHARMFSA-N 298.415 3.915 30 20 CHED CC(C)O[C@@H]1CC(=NNc2cccc(C#N)c2)C1(C)C 764906007 VYCHIUNJLAINTL-OAHLLOKOSA-N 271.364 3.550 30 20 CHED C#CCCCSc1nnc(-c2ccccc2Cl)o1 766289289 KCFOECVQWUJBOL-UHFFFAOYSA-N 278.764 3.896 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(F)ccc2O)ccc1C#N 766492096 UZYGWXBTACVXKN-UTCJRWHESA-N 281.286 3.608 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(CSCC)c1 767086739 SXCKYEGYEXXNJB-UHFFFAOYSA-N 275.417 3.928 30 20 CHED C#CCOc1ccccc1CN1CC[C@@H]1c1cccc(F)c1 769506205 DBXWMNBILZKWNF-GOSISDBHSA-N 295.357 3.785 30 20 CHED COCCC(=NNc1c(F)cccc1Cl)C(C)C 769830956 SWJCAYKLVMIRRS-UHFFFAOYSA-N 272.751 3.940 30 20 CHED C#CCSCCN[C@H](C)c1ccc(-c2ccncc2)cc1 773010421 JQURNMVUBGAXCD-OAHLLOKOSA-N 296.439 3.766 30 20 CHED C#CCCCCN[C@H]1c2cccc(F)c2CC[C@@H]1C 773042817 XBYJKKIKSUDBPG-SUMWQHHRSA-N 259.368 3.842 30 20 CHED CCC1(CC)C(=NNc2nccnc2C(C)C)C[C@H]1OC 773086743 SOTABHBCHNPMQZ-CYBMUJFWSA-N 290.411 3.593 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccc(F)cc1 773089913 BFNCWLDVHWIVFJ-UHFFFAOYSA-N 272.327 3.575 30 20 CHED Cn1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)n1 773151518 AMSWQVBRKNOMLI-BQYQJAHWSA-N 278.311 3.576 30 20 CHED C#CCCCCC(=O)N(Cc1cscn1)c1ccccc1 773357881 XZJFCEQERRDGBQ-UHFFFAOYSA-N 298.411 3.870 30 20 CHED C#CCCCCC(=O)N1CCc2ccccc2[C@H]1C(C)C 773457436 JMSXJWCAUUPSEP-LJQANCHMSA-N 283.415 3.962 30 20 CHED CC(=NOC1CCOCC1)c1ccc2c3c(cccc13)CC2 774435806 JFLCFLGHTHTMTA-UHFFFAOYSA-N 295.382 3.858 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)NC1=NCCS1 774809994 GJXGLLSUYPJROY-CYBMUJFWSA-N 284.469 3.982 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)Cc1ccccc1CC#N 776927277 SUJGQMCPKNVRLM-CVEARBPZSA-N 298.430 3.628 30 20 CHED N#Cc1ccc(-c2ccn(Cc3ccc(CF)cc3)n2)cc1 777540068 JTINTULEVFALSE-UHFFFAOYSA-N 291.329 3.940 30 20 CHED Cc1cccc(CCCOC(=O)C2(C#N)CCCCC2)c1 778107809 OUJBWFWRFCBPIT-UHFFFAOYSA-N 285.387 3.945 30 20 CHED C#CCCCCCC(=O)OCCCc1ccccc1 779713238 RUMOTEVWVFEWIG-UHFFFAOYSA-N 258.361 3.746 30 20 CHED CCc1ccc(C(C)=NNc2ccc3[nH]ncc3c2)o1 779819669 WHXWJKBBUOCVKM-UHFFFAOYSA-N 268.320 3.554 30 20 CHED C#CCCCCCC(=O)OCc1cccc([N+](=O)[O-])c1C 780255305 PNZZWJXTTULNLJ-UHFFFAOYSA-N 289.331 3.530 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(F)cc(F)c1 782296301 VBPQBCHUQPRZER-UHFFFAOYSA-N 266.287 3.776 30 20 CHED C#CCCCNC(=O)Nc1ncc(C2CCCCC2)s1 782641479 DSWLKEMCNJAXBZ-UHFFFAOYSA-N 291.420 3.726 30 20 CHED C/C(=C\C(=O)OCCCC(C)(C)C#N)c1ccccc1 783085838 NFOYBAJUZNZCNC-WYMLVPIESA-N 271.360 3.963 30 20 CHED C=C[C@@H]1CCCCN1c1cc(Cl)nc(C2CC2)n1 784670143 AOAJVHODUWLAFQ-LLVKDONJSA-N 263.772 3.552 30 20 CHED N#CCc1cccc(C(=O)OCc2sccc2Cl)c1 785909475 HWYUBJVJLRFBBZ-UHFFFAOYSA-N 291.759 3.825 30 20 CHED CC(=NNC1CCCCC1)c1ccc(O)c(Cl)c1 786040216 KWMQUFSRRLVEHJ-UHFFFAOYSA-N 266.772 3.692 30 20 CHED Cc1[nH]c2ccccc2c1C=NNC1CCCCC1 786042029 HBACGRSGUJQOOO-UHFFFAOYSA-N 255.365 3.733 30 20 CHED CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCCC(C)(C)C#N 786344147 LDAPAHVNYCQWQD-KKUMJFAQSA-N 295.423 3.843 30 20 CHED CCc1oc2ccccc2c1C=NOCCOCC(F)F 786738862 ORGWCUBEDSCHIH-UHFFFAOYSA-N 297.301 3.627 30 20 CHED C#CCC1(c2nc(-c3ccc(OC)cc3)no2)CCCCC1 788095647 GYMPYDQFRYVXTN-UHFFFAOYSA-N 296.370 3.970 30 20 CHED Cc1oc(-c2ccccc2)nc1C(=O)OC1(CC#N)CCC1 788144280 CNDQNNYBRAOETF-UHFFFAOYSA-N 296.326 3.643 30 20 CHED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1Cl 788437730 CUEBMOPPAVLHFR-DETPVDSQSA-N 287.794 3.714 30 20 CHED CC(C)Sc1cccc(Cl)c1C=NN[C@H]1CCOC1 788440513 VESNOXRGRBBEHF-NSHDSACASA-N 298.839 3.553 30 20 CHED COc1cc(NN=C(C)c2ccccc2O)ccc1Cl 788468349 TXSOPZLLORCULC-UHFFFAOYSA-N 290.750 3.890 30 20 CHED CC(=NNc1ccc(Cl)nn1)C1CCC(F)(F)CC1 788698003 LRKMTZIPZLHMQU-UHFFFAOYSA-N 288.729 3.743 30 20 CHED CC1(C)CCC1=NNc1ccc(OC(F)F)cc1 789005852 TZOPIIVVKGQCEW-UHFFFAOYSA-N 254.280 3.876 30 20 CHED CC#CCCCC(=O)O[C@@H]1CCOc2c(C)cccc21 789484926 DBRPVWVQAXXQCA-OAHLLOKOSA-N 272.344 3.555 30 20 CHED CCOc1ccc(C=NOCCCCCF)cc1OC 789566962 QBIHMQKYBASHQE-UHFFFAOYSA-N 283.343 3.584 30 20 CHED C#CCN(C)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 790964797 LMEKQJXLKKJQCY-UHFFFAOYSA-N 299.757 3.838 30 20 CHED COc1ccc2c(c1)CCCN2Cc1ccc(C#N)c(F)c1 792202594 MJPOLGOAHDFXFQ-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CC[C@H](C)CON=Cc1cccn1Cc1cccs1 793143997 BDMJVAXJDDAFEC-ZDUSSCGKSA-N 276.405 3.995 30 20 CHED CC(=NNc1ncncc1F)c1ccc(CC(C)C)cc1 793211473 MPCLMWHXLSPTAO-UHFFFAOYSA-N 286.354 3.650 30 20 CHED COc1ccc2cc(NC(=O)c3ccc(C#N)o3)ccc2c1 794498010 JASJGEVLCKMWCY-UHFFFAOYSA-N 292.294 3.565 30 20 CHED N#Cc1cccc(NN=C2CCC[C@@H]2c2ccccn2)c1 794886206 FRXWDZGIABAKKT-OAHLLOKOSA-N 276.343 3.689 30 20 CHED CC(=NNc1cncnc1)c1ccc(Cl)cc1Cl 794979173 CVFVRVRHZSIWKI-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CC(C)(C#N)CCCOC(=O)C[C@H](CC#N)c1ccccc1 795985301 YVEFVLHWWYKWHC-INIZCTEOSA-N 298.386 3.947 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)OCC(=O)c1cccc(C#N)c1 796327188 SKGVSQNTOLFIPF-HOCLYGCPSA-N 299.370 3.501 30 20 CHED C#C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(C)C 798343499 IBGPBJZPYCUIGV-YNUIFBACSA-N 270.159 3.776 30 20 CHED Cc1ccc(C(=O)N2CC=C(C(C)(C)C)CC2)cc1C#N 799713125 QGXVMDJGQQZXAO-UHFFFAOYSA-N 282.387 3.685 30 20 CHED CC(C)SCCSc1ccc(C#N)cc1F 800835244 UBWUAZSGHXZZFK-UHFFFAOYSA-N 255.383 3.931 30 20 CHED C#CCCCC(=O)OCc1cccc(-c2ccccn2)c1 800977094 LRGKGHYQEQFTOU-UHFFFAOYSA-N 279.339 3.595 30 20 CHED C[C@H](NCCCOc1ccc(C#N)cc1)c1ccsc1 801569629 AAMNBXKEFDCBEQ-ZDUSSCGKSA-N 286.400 3.739 30 20 CHED C#C[C@@H](NC(=O)C(CC)CC)c1ccc(Cl)cc1F 804417731 RUSDPDFNJZANBV-CQSZACIVSA-N 281.758 3.706 30 20 CHED CCCCCCCCC(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C 804523867 DDEXGKYAXHQVBV-IRXDYDNUSA-N 294.483 3.822 30 20 CHED N#Cc1cc(Oc2ccc(SC(F)(F)F)cc2)ncn1 804838532 FALWSUQNYRJBQF-UHFFFAOYSA-N 297.261 3.752 30 20 CHED C[C@H](N[C@@H]1CCc2nc(Cl)ccc21)c1cccc(C#N)c1 806141656 KSJREUQCHZKJKT-XHDPSFHLSA-N 297.789 3.945 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)cc1 806566118 YQBPTNMAAGALGF-YFHOEESVSA-N 280.371 3.979 30 20 CHED C=CCCCCCCNC(=O)N(C(C)C)C1CC1 807571671 MUBLBYYOFSMYGT-UHFFFAOYSA-N 252.402 3.705 30 20 CHED C#C[C@H](NC(=O)N(CC)CC(CC)CC)C(C)(C)C 808316956 MRRUHGHRCRIZMS-AWEZNQCLSA-N 266.429 3.502 30 20 CHED Cc1cccc(Cc2noc(-c3ccc(C)c(C#N)c3)n2)c1 809288026 NLZHBFRGOULTOX-UHFFFAOYSA-N 289.338 3.816 30 20 CHED C#CCC(C)(C)c1nc(-c2ccnc(O[C@@H](C)CC)c2)no1 809437629 WODYOULZKUYCAR-LBPRGKRZSA-N 299.374 3.610 30 20 CHED C#C[C@H](NCc1ccccc1O)c1ccc(Cl)cc1F 809698514 FKBRVGNMDGMYFB-HNNXBMFYSA-N 289.737 3.649 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(F)c([C@H](C)O)c1 809715720 GCWFGAQAJXRQFY-SRVKXCTJSA-N 251.345 3.892 30 20 CHED C=CCCCCOC(=O)C[C@H](C)c1c(C)noc1C 811012350 IKPOSOITTPHKFU-NSHDSACASA-N 265.353 3.685 30 20 CHED CC(=NOC/C=C/Cl)c1csc(C(C)C)n1 811667931 GXXBOOKJGWLASK-BPMLJBRASA-N 258.774 3.760 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cccc(F)c2C#N)c1 811692174 CIQUWOLXPAIYCZ-VURMDHGXSA-N 281.286 3.608 30 20 CHED CC(=NOCCOC(C)C)c1ccc2cc(O)ccc2c1 812238725 DKZDGXWTEMISCF-UHFFFAOYSA-N 287.359 3.711 30 20 CHED N#CCCCC(=O)O[C@H]1CCc2c(Cl)cccc21 812616012 RCYREVMTSDLXMQ-ZDUSSCGKSA-N 263.724 3.564 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 812640119 RKCXKCXNIFXUSD-KCPJHIHWSA-N 257.333 3.599 30 20 CHED N#C[C@H](C(=O)CCCC1CC1)c1ccc2ccccc2n1 813057681 PAFNTRHUAWAFLT-HNNXBMFYSA-N 278.355 3.991 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1ccc(C(C)C)cn1 813240071 ZSHPJLHKYPPROQ-UHFFFAOYSA-N 294.354 3.858 30 20 CHED C/C(=C\C(C)(C)C)C(=O)Nc1ccc(C#N)c(F)c1 813259765 DXDHKVORTGWNNH-CSKARUKUSA-N 260.312 3.628 30 20 CHED CC(=NOCC1CC1)c1cccc(Br)c1 814243471 YFTFKFCTTOWNNY-UHFFFAOYSA-N 268.154 3.600 30 20 CHED COc1cccc(NN=C(C)CCCCCCC(=O)O)c1 814778710 SCZNGTOYTPJUOJ-UHFFFAOYSA-N 292.379 3.908 30 20 CHED Cc1ccc(NN=C2CS[C@H](C(C)(C)C)C2)nc1 814831592 IQWQEMZUDITVQS-LBPRGKRZSA-N 263.410 3.710 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(Cl)c(N)c1 814859631 XUXJMDVXLSAZQW-UHFFFAOYSA-N 295.173 3.807 30 20 CHED CCC(=NNc1nccnc1C1CCC1)c1ccc(F)cn1 814932061 MKAMSJDAZYHRSH-UHFFFAOYSA-N 299.353 3.504 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NN[C@H](C)C(C)(C)C)C1 814938257 XYRPHAOHOUZSJE-ZIAGYGMSSA-N 296.455 3.900 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(C)CC(C)(C)C#N 817618193 XZCMABGSTIUBKO-CQSZACIVSA-N 266.429 3.991 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(C)(C)CCCC(OC)OC 819501282 AWNQXMAEGWKZTJ-UHFFFAOYSA-N 299.455 3.520 30 20 CHED CC(C)n1nccc1C=NNc1cc(Cl)nc(Cl)c1 819828444 DGBNPRNRDMMBJB-UHFFFAOYSA-N 298.177 3.612 30 20 CHED CC(C)CONc1c(C#N)cnc2c(Cl)cccc12 825885499 NJIVOWSCEKMADS-UHFFFAOYSA-N 275.739 3.759 30 20 CHED C#Cc1cccc(NCc2cc(C(=O)O)ccc2Cl)c1 833367013 GPMUCBPENFNLDD-UHFFFAOYSA-N 285.730 3.632 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc2c(c1)CCO2 834877222 IJARTEXVIKJRMG-XQRVVYSFSA-N 294.350 3.835 30 20 CHED CC(C)ON=C1CCCc2ncc(C(F)(F)F)cc21 835003039 QCKGYPKTMCAPSY-UHFFFAOYSA-N 272.270 3.566 30 20 CHED CC/C(C)=C/C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 835103820 MXBFLUIHFZUKNB-YKWSONSWSA-N 297.383 3.738 30 20 CHED CC[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(F)(F)F 835656686 JSGNUTAQLOUNKR-GFCCVEGCSA-N 299.292 3.985 30 20 CHED C#CC[C@@H](NC(=O)N1CC(C)(C)[C@@H]1C(C)C)c1ccccc1 838530104 WAXVNANJIIKXJQ-SJORKVTESA-N 298.430 3.827 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(Cl)ccc2F)C1 839043573 KEWFXWADWBMXSA-GXSJLCMTSA-N 281.714 3.718 30 20 CHED CC(C)(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 839054452 OJDWDNLXDVDGJN-IUODEOHRSA-N 289.350 3.729 30 20 CHED Cc1ccc(N(C)[C@H]2CCCN([C@H](C)CCC#N)C2)cc1 839552202 ZWYFWZVRLWXNHN-AEFFLSMTSA-N 285.435 3.588 30 20 CHED CCn1nncc1/C=C1/CCc2ccc(C(C)C)cc2C1=O 841485287 JHEQINLYRNHDJY-DHDCSXOGSA-N 295.386 3.634 30 20 CHED C[C@@H]1c2c(sc(NC(=O)C(F)F)c2C#N)CC[C@H]1C 844546951 BXRLJELIHORVOM-RQJHMYQMSA-N 284.331 3.509 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2cccc3c2CCC3)cn1 844548045 MSWWUYIXKYAVGQ-MDZDMXLPSA-N 280.371 3.849 30 20 CHED CC[C@H](COC(=O)c1cccc(F)c1C#N)CC(F)F 845762591 KKPCZMULVUPYOD-VIFPVBQESA-N 285.265 3.536 30 20 CHED CCCC(CCC)=NNc1ccc(CC(=O)O)cc1 848416039 WWXRNFMTHOWFRG-UHFFFAOYSA-N 262.353 3.682 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)Cc1ccsc1)OCC 851143053 BKPGTFZNWSGHJJ-GXTWGEPZSA-N 282.405 3.594 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1(C(F)F)CCCC1 851203495 AXVQGSQOJAAQQK-SNVBAGLBSA-N 273.323 3.683 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)s1 851214763 WMDZBSHHZBDNGN-VIFPVBQESA-N 251.351 3.542 30 20 CHED FC(F)(F)[C@@H]1CCC[C@@H](C=NO[C@H]2CCCCO2)C1 853326180 UWYYGUIPKYMISK-UTUOFQBUSA-N 279.302 3.884 30 20 CHED Cc1cccc(-c2ccc(NC[C@@H]3CCCO3)nc2)c1C#N 863690022 IPXMQSQTKALJGU-HNNXBMFYSA-N 293.370 3.520 30 20 CHED CCOc1cccc(/C=N/[C@@H](C)c2cnc(C)s2)c1O 864347065 JLZAGRJQYMAGJG-MDKXCRPYSA-N 290.388 3.736 30 20 CHED C[C@H](CCC#N)CNc1ccc(OCC(F)(F)F)cc1 876820920 WAZSONJBTQLUFA-LLVKDONJSA-N 286.297 3.979 30 20 CHED C=C1CCC(C(=O)Oc2ccc(C(C)=O)cc2OC)CC1 887661703 MTQVYEJNKZLWKG-UHFFFAOYSA-N 288.343 3.550 30 20 CHED CC(C)(CCC#N)CNCc1ccc(Cl)cc1[N+](=O)[O-] 894513930 RLTYVSXIMHREGZ-UHFFFAOYSA-N 295.770 3.668 30 20 CHED Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cnc1F 894964495 SEILGGMGKRPZKV-QGZVFWFLSA-N 295.361 3.568 30 20 CHED C=C1CCC(C(=O)Nc2cccc(-c3cn[nH]c3)c2)CC1 897252983 SMJSLBPDANSVKQ-UHFFFAOYSA-N 281.359 3.762 30 20 CHED Cc1occc1[S@](=O)CCCCC1(C#N)CCC1 899288715 YSIWQQCYPNMSRO-GOSISDBHSA-N 265.378 3.560 30 20 CHED C=CCNc1ncc(C(=O)N(C(C)C)C2CCCC2)s1 900565512 LDBWYJZUSXFOHS-UHFFFAOYSA-N 293.436 3.534 30 20 CHED COc1cc(C#N)cc(OCCCCC2(C#N)CCC2)c1 901538227 UVNSHKPPJVIOOP-UHFFFAOYSA-N 284.359 3.810 30 20 CHED CCCCCCC[C@H](C)NCc1ccc(C(=O)O)o1 901664688 XGPVKCWJDJCKDD-LBPRGKRZSA-N 267.369 3.816 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1ccc(C)s1 915967163 DGJKJPMTRTZWGI-UHFFFAOYSA-N 284.388 3.779 30 20 CHED CCOc1ccc(C=Nc2ccc(N(C)C)cc2C)c(O)c1 915979788 SVULBUFZQPTJIM-UHFFFAOYSA-N 298.386 3.916 30 20 CHED Cc1ccc(C)c(NN=C2COc3ccc(F)cc32)c1 918152429 JZYVHEGJIWLGRH-UHFFFAOYSA-N 270.307 3.651 30 20 CHED Cc1cc(COC(=O)/C=C\c2ccccc2C#N)c(C)s1 920518420 VJLKZPTYLIWXBP-FPLPWBNLSA-N 297.379 3.993 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc3c(c1)CCO3)C2=O 921268866 FPSDOXMTCFQLAJ-YBEGLDIGSA-N 276.335 3.752 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)c(NC(C)=O)c1 930694675 UNMZADWEVBLUQX-NSHDSACASA-N 294.782 3.839 30 20 CHED C=C[C@@H](CC)CC(=O)N1C[C@H]2CCCN2c2ccccc21 932488367 LUGZEZVNFOKGNH-LSDHHAIUSA-N 284.403 3.604 30 20 CHED CC(C)OCCCN1CCC(c2ccc(C#N)cc2)CC1 933613285 VTEAGPILAQMUPV-UHFFFAOYSA-N 286.419 3.553 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1ccc(Cl)cn1 935530852 KFZVVQHMXLMBDN-QWRGUYRKSA-N 266.772 3.515 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc2c1OCC[C@@H]2OC 935728182 BKGNJLHFLVXMSJ-WFASDCNBSA-N 289.375 3.697 30 20 CHED CC(C)Nc1nnc(S[C@H](C#N)C2CCCCC2)s1 1116078297 WHKBWYJBBVNIBV-LLVKDONJSA-N 296.465 3.923 30 20 CHED C=C(CNC(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 1117487105 LUDVLUUPESRHBQ-MSOLQXFVSA-N 298.430 3.922 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc(-c3ccco3)s2)C1 1122716845 AESYMLJDIBQLAG-WDEREUQCSA-N 287.340 3.857 30 20 CHED N#Cc1ccc(CNC(=O)c2cccc(C3CC3)c2)c(F)c1 1125897712 FGYZHLHBGPDSDL-UHFFFAOYSA-N 294.329 3.505 30 20 CHED CC(=NOC(C)(C)C)c1[nH]c(-c2ccccc2)nc1C 1253788626 GYQIGJBNKBYKTD-UHFFFAOYSA-N 271.364 3.924 30 20 CHED C#C[C@H](CC)NC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 1261660462 OJHPQDRPMQFRMJ-LMMKCTJWSA-N 296.414 3.509 30 20 CHED Cc1ccc(C)c(CC(=O)O[C@@H](CC#N)c2ccco2)c1 1263660370 DTEUZGWALUTICY-INIZCTEOSA-N 283.327 3.637 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc(C2CC2)c1 1265977753 LTFPMGJQQYHDJS-UHFFFAOYSA-N 276.339 3.996 30 20 CHED CC(C)(C)CCCNC(=O)Nc1ccc(OCC#N)cc1 1318657964 HQCOZXIONVPNRU-UHFFFAOYSA-N 289.379 3.537 30 20 CHED Cn1cc(CSCc2ccc(C#N)cc2)c(C(F)F)n1 1320626089 RTKGDPLYIVVQJF-UHFFFAOYSA-N 293.342 3.663 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2nocc2C)CCCC1(C)C 1320837797 LCMLRPBYYRNBMG-LBPRGKRZSA-N 277.368 3.582 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(O)cc1 1321920359 JSEJQNULKUOXSG-UHFFFAOYSA-N 298.390 3.706 30 20 CHED C#CCCCC(=O)NC[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1326334839 GAFOYKURXBYEHP-HRCADAONSA-N 263.425 3.615 30 20 CHED C=C[C@H](OC(=O)[C@H]1CCOC2(CCC2)C1)c1ccccc1 1331438567 WVLYGKHCGPBIDO-HOTGVXAUSA-N 286.371 3.806 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CC#Cc1ccccc1 1332982891 MVDCKVLFOWKPJZ-KBAYOESNSA-N 281.399 3.608 30 20 CHED Cc1c(C#N)cccc1NC(=O)CC(C1CC1)C1CC1 1334094822 FSDIKAKUDGXBKI-UHFFFAOYSA-N 268.360 3.632 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc2cc(F)ccc2[nH]1 1337551915 SBRQBHPTDJWPSL-AWEZNQCLSA-N 286.350 3.878 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)/C=C\c1ccc(Cl)s1 1339185215 PKQQZFPJWGOWFV-ZEBCKKTISA-N 282.796 3.565 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(C#N)c(C)n1 1343561574 ALFPXPKERLEVFM-UHFFFAOYSA-N 285.391 3.518 30 20 CHED Cc1ccccc1C(F)(F)C(=O)O[C@@H]1CCC[C@H](C#N)C1 1344887814 VXMYBNSSLMDFDW-QWHCGFSZSA-N 293.313 3.712 30 20 CHED Cc1cc(NC[C@H](C)c2ccc(F)cc2)ncc1C#N 1458139721 AGJSLSKHLMBTJX-LBPRGKRZSA-N 269.323 3.616 30 20 CHED CC[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@H]1C 1458327549 AXNDZBYOHMULLL-QWHCGFSZSA-N 271.408 3.876 30 20 CHED CC(C)(CNc1c(C#N)cccc1C#N)C1CCC1 1458378480 JVTUWNOUSRPZSY-UHFFFAOYSA-N 253.349 3.668 30 20 CHED COc1cc(Cl)ccc1CN1CCc2c(C#N)cccc21 1460285642 NNGLGVYFFMJWBD-UHFFFAOYSA-N 298.773 3.783 30 20 CHED CCc1cccc(N(C)C(=O)c2cc(C#N)ccc2C)c1 1460719726 LCHDABRLHHPEDM-UHFFFAOYSA-N 278.355 3.706 30 20 CHED Cc1ccc(C(=O)NC2CCC(C3CCC3)CC2)cc1C#N 1461698957 IJICAQZEGNVKDR-UHFFFAOYSA-N 296.414 3.955 30 20 CHED CC(C)(CNC(=O)c1ccc(C#N)cc1F)C1CCCC1 1519593327 INHYDIMPUDBGRP-UHFFFAOYSA-N 288.366 3.644 30 20 CHED CC1(C)CC[C@H](C(=O)O[C@@H](CC#N)c2ccco2)C1 1520425287 NKKPZYXUAFWHAQ-AAEUAGOBSA-N 261.321 3.604 30 20 CHED CC(F)(F)c1ccc(C(=O)Nc2sccc2C#N)cc1 1523570412 KWFAWOHTHSZKEC-UHFFFAOYSA-N 292.310 3.984 30 20 CHED Cc1ccccc1NC(=O)[C@@H](CC#N)c1ccccc1 1523690336 NVQVZDAMMIPQHP-HNNXBMFYSA-N 264.328 3.631 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)ccc1Cl 1525048258 CPQUKFWFOYUQQI-YPMHNXCESA-N 277.751 3.888 30 20 CHED CCN(CCC#N)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 1543457559 HTBLNSSZJVYLQA-VXGBXAGGSA-N 290.329 3.507 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 1543864443 LFQYTDQAQDIOPO-LLVKDONJSA-N 299.305 3.501 30 20 CHED Cc1cc(NCC(C)(C)c2cccs2)ncc1C#N 1559104218 CXTNDIVBKCXLPQ-UHFFFAOYSA-N 271.389 3.713 30 20 CHED N#Cc1c(F)cccc1SCC(=O)c1ccccc1F 1559418989 QSDXNBRXDDPVJT-UHFFFAOYSA-N 289.306 3.811 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2cccc(F)c2C#N)[C@@H]1C 1560786734 AMLYATWNILMOGZ-MCIONIFRSA-N 274.383 3.859 30 20 CHED O=C(O)c1cccc(NN=CC2CCCCC2)c1F 1602446670 IRAZPXGYVIGRAT-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)[C@]1(C#N)CC12CCCC2 1617140729 YAFJNYMPVZMMLW-LJQANCHMSA-N 294.398 3.612 30 20 CHED Cc1cc(SCc2ccccc2C)ncc1C#N 1641946833 XBAWKAWQVGRTCF-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CCN(Cc1cc(C#N)ccc1Br)C(C)(C)C 1643220827 SDHKHJAKRCXRRP-UHFFFAOYSA-N 295.224 3.941 30 20 CHED CCC[C@H](C)[C@H]1CCCN1Cc1cccc(C#N)c1 1653768444 ZVDARWOARZMKQD-WMLDXEAASA-N 256.393 3.959 30 20 CHED CN(CCCc1ccccc1)c1nc(C#N)c(Cl)s1 1655345878 GLGPYRDZNNHMPT-UHFFFAOYSA-N 291.807 3.737 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1F)CC2 1658109588 QFGUXJDFLFYMGI-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CCc1ccc(CC)c(NC(=O)N2CCC[C@@H](C#N)C2)c1 1659546809 IXQIITFSYNODCF-AWEZNQCLSA-N 285.391 3.579 30 20 CHED CC(C)(CNc1cc(F)cc(C#N)c1)Oc1ccccc1 1660487411 UEZMUGNYNOJFNN-UHFFFAOYSA-N 284.334 3.967 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 1672775839 RTQGXZKPPUUFMF-RPCCPQHDSA-N 297.402 3.813 30 20 CHED CSc1cccc(NC(=O)Nc2ccc(C#N)cn2)c1C 1673895871 MYMOXWFOKPABOY-UHFFFAOYSA-N 298.371 3.628 30 20 CHED C=CCCC[C@H](NCc1ccc2sccc2c1)C(=O)O 1776172438 ZEEIQMYTMDAMRS-AWEZNQCLSA-N 289.400 3.800 30 20 CHED CCc1cccc(C)c1NC(=S)NN=C1CCCC1 7055436 GCSGQHTWKUQKED-UHFFFAOYSA-N 275.421 3.774 30 20 CHED N#CCc1ccc(NC(=O)c2cccc3cccnc23)cc1 15030420 PCQNMWTWXFAEBA-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CCN(CCC(=O)Nc1ccccc1C#N)C1CCCCC1 20261046 TUXYWAISWHEISW-UHFFFAOYSA-N 299.418 3.541 30 20 CHED CCOc1ccc(NCc2ccc(C#N)cc2)cc1OCC 20827362 MALLOJNWHAYQGC-UHFFFAOYSA-N 296.370 3.968 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CSc2ccccc21 33530444 YNMNLYLGAHCVGP-WQLSENKSSA-N 297.335 3.967 30 20 CHED CCCOc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 35823632 QXQCJQOSRDAHDW-UHFFFAOYSA-N 295.342 3.991 30 20 CHED CCCC[C@H](CC)C(=O)N[C@H](C#N)C1CCCCC1 40360128 WCVBVJPNOKOSCM-DZGCQCFKSA-N 264.413 3.791 30 20 CHED N#C[C@H](C(=O)c1cccs1)c1ccc(C(F)(F)F)cn1 41555302 WPFHCNKXKPUQLE-VIFPVBQESA-N 296.273 3.652 30 20 CHED C[C@H](Nc1ncccc1C#N)c1ccc(Cl)s1 42240392 XPJAYNGERUCDRV-QMMMGPOBSA-N 263.753 3.841 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc2ccc(C)cc2s1 44764738 LRRFSWNLMYLNQW-UHFFFAOYSA-N 287.388 3.873 30 20 CHED O=C1/C(=C\c2cc3ccccc3o2)Oc2cc(O)ccc21 45008289 OYJRPGCTFWLFIT-CXUHLZMHSA-N 278.263 3.755 30 20 CHED Cc1cccc(C2(C(=O)Nc3cccc(C#N)c3)CC2)c1 52935783 NNBBPTARYNIXIN-UHFFFAOYSA-N 276.339 3.537 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1sc2ccccc2c1Cl 57292773 MCRRZTLXAXTLNI-VIFPVBQESA-N 292.791 3.786 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)c1ccccc1 58453520 XZHNHNNGNQGRRO-AWEZNQCLSA-N 293.370 3.792 30 20 CHED N#Cc1cccnc1N[C@H]1CCCc2sccc21 61364328 PIZSGQBSAZVEFO-LBPRGKRZSA-N 255.346 3.504 30 20 CHED C[C@@H]1CCc2c(sc(NC(=O)CC3CCC3)c2C#N)C1 73851311 AFJCEZQIEHRFCO-SNVBAGLBSA-N 288.416 3.873 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1 75297689 VOOMYACSLLCOEP-QZTJIDSGSA-N 290.366 3.599 30 20 CHED C=CCN(CCc1ccccc1)CCC(F)(F)F 77272070 ZCYANRWQNXWQGC-UHFFFAOYSA-N 257.299 3.670 30 20 CHED N#Cc1ccc(OCCn2ccc(-c3ccccc3)n2)cc1 78639848 ZQKMHUVQVUCFIY-UHFFFAOYSA-N 289.338 3.501 30 20 CHED CN(C(=O)c1cc(C#N)cs1)C1CCCCCCC1 84089581 AIMRNPBPQKBXIA-UHFFFAOYSA-N 276.405 3.805 30 20 CHED CC(C)C(=O)Nc1ccc(OCc2ccc(C#N)cc2)cc1 84918859 NJMWZSVUZLUZNU-UHFFFAOYSA-N 294.354 3.732 30 20 CHED C[C@H](CNc1nc2c(cc1C#N)CCC2)C(C)(C)C 96609741 YAGIHCVWCZMVOY-LLVKDONJSA-N 257.381 3.536 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1ccc(C#N)cc1 106862199 NHKSHVCTSCJFOH-CQSZACIVSA-N 262.356 3.678 30 20 CHED C=CC1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 110363633 BNKUGLXDHPMZOF-UHFFFAOYSA-N 295.835 3.857 30 20 CHED N#Cc1ccc(OC(=O)c2coc3ccccc23)cc1 113009880 QOLOWJAZFVSYFZ-UHFFFAOYSA-N 263.252 3.524 30 20 CHED CC1(NC(=O)Nc2ccc(CC#N)cc2)CCCCC1 116480063 JAHISGOEWUKGMO-UHFFFAOYSA-N 271.364 3.597 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(C)cc1 116973133 QQOOPKDRKMKTFB-UONOGXRCSA-N 260.381 3.662 30 20 CHED CC[C@@H](NCCCCC#N)c1cc(F)ccc1F 118963464 RKPDOKUOJWYQCD-CQSZACIVSA-N 252.308 3.699 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1ccnc(C)c1 119443096 GXNPPVNFIXSMGE-UHFFFAOYSA-N 287.388 3.672 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](CC)c1cccc(OC)c1 119774988 RIHVKJVDNBJENX-CJNGLKHVSA-N 292.375 3.671 30 20 CHED C=CCC[C@H](NC[C@H]1CCN(c2ccccc2)C1)C1CC1 120118575 FNZPADUZUJQSCK-APWZRJJASA-N 284.447 3.847 30 20 CHED C=CCN(C)Cc1nc(-c2c(F)cccc2F)cs1 121545076 CSHNLGVZGGSKNF-UHFFFAOYSA-N 280.343 3.706 30 20 CHED CCn1ncc2ccc(NCc3ccc(C#N)s3)cc21 123427726 BOFUISDHUSJYJI-UHFFFAOYSA-N 282.372 3.601 30 20 CHED Cn1c(SCCC(C)(C)C#N)nnc1-c1cccs1 123910416 BJIJYXJVEJDXJW-UHFFFAOYSA-N 292.433 3.576 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC(C)(C)C 126356781 QZKUJSKWXWLKOZ-UHFFFAOYSA-N 251.395 3.699 30 20 CHED CCCCCCCCC(=O)N(C)Cc1cccnc1 127645725 UKAWYIMXQIXOHJ-UHFFFAOYSA-N 262.397 3.791 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 128323582 AZLHZMQDTVEWEC-NWDGAFQWSA-N 293.769 3.783 30 20 CHED C#Cc1cccc(N(CC)C(=O)C(CC=C)CC=C)c1 130545916 UBBLVRGSMKDKFO-UHFFFAOYSA-N 267.372 3.789 30 20 CHED COCc1ccc([C@@H]2CCCN2Cc2cccc(C#N)c2)o1 130939172 HOEKGEPCWHARNJ-KRWDZBQOSA-N 296.370 3.635 30 20 CHED C=CCCS[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 151993689 ZRJLZGGTNCJGOQ-KGLIPLIRSA-N 277.433 3.604 30 20 CHED C=C[C@H](C)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 154216259 ULEZCZNPGZENPQ-MNOVXSKESA-N 285.309 3.890 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(CC(F)(F)F)cc1 156105612 YZXGKPZZMKBPEO-NSHDSACASA-N 299.296 3.605 30 20 CHED CC1(C)CCC(C(=O)Nc2ccc(CC#N)cc2)CC1 156245348 BYOJCZOETWBLKQ-UHFFFAOYSA-N 270.376 3.908 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 156747203 KTZAFIVMEDFUJC-UHFFFAOYSA-N 290.363 3.722 30 20 CHED C[C@@H]1CC[C@@H](CNc2ccc(C(F)(F)F)cc2C#N)O1 158338877 VZHKNHXGRUJVPJ-SKDRFNHKSA-N 284.281 3.556 30 20 CHED C=CCN(C)C(=O)[C@H](c1cccc(Cl)c1)C(C)C 161401528 OHYLGIISDYJYDZ-AWEZNQCLSA-N 265.784 3.724 30 20 CHED CC[C@H](O)c1ccc(OCc2ccc(C#N)cc2C)cc1 166038857 OLNIMWZYMQKRGG-SFHVURJKSA-N 281.355 3.889 30 20 CHED C[C@H]1C[C@@H](CC(=O)NCCCCC#N)CC(C)(C)C1 171499291 DRHQFDODIOGQBO-KBPBESRZSA-N 264.413 3.649 30 20 CHED C=CCSCCNC(=O)C[C@H](CC)c1ccccc1 171535162 UMXDORYZBWSMKV-AWEZNQCLSA-N 277.433 3.606 30 20 CHED C=CC1CCN(Cc2cc(C(C)=O)ccc2OCC)CC1 171953309 YBJZUPULAJFWHI-UHFFFAOYSA-N 287.403 3.686 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCC(F)(F)F 173727330 AXNPNRKWKCBPON-UHFFFAOYSA-N 289.272 3.683 30 20 CHED Cc1ccccc1OCCN[C@@H](C)c1ccc(C#N)cc1 173981427 YKRFIOKXDYEXFA-HNNXBMFYSA-N 280.371 3.596 30 20 CHED CC(C)COc1cccc(C(=O)OCC2(CC#N)CC2)c1 174733383 GLHLDJUYRXZMDM-UHFFFAOYSA-N 287.359 3.572 30 20 CHED N#CCC1(COC(=O)c2cc(Cl)ccc2Cl)CC1 174750399 VRJAQFCUXBWXDH-UHFFFAOYSA-N 284.142 3.844 30 20 CHED CCCOc1ccc(OC(=O)c2cc(C#N)cs2)cc1 176456973 LZLZYARAXOXBTO-UHFFFAOYSA-N 287.340 3.628 30 20 CHED CCN(C(=O)Nc1ccc(CC#N)cc1)C1CCCC1 176545764 BMDYJYSMSMZTIO-UHFFFAOYSA-N 271.364 3.549 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2cc(Cl)ccc2O)cn1 176955714 OZGLHNMKFOFPKQ-HWKANZROSA-N 290.750 3.719 30 20 CHED N#Cc1cc(F)ccc1NC(=O)CC1=CCCCC1 177573069 NBESIAVCQANCRF-UHFFFAOYSA-N 258.296 3.526 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1cc(C)ccc1C 177871385 RCZMVBMNFNHYNR-CYBMUJFWSA-N 263.406 3.940 30 20 CHED c1ccc2cc(CO/N=C3/CCCOCC3)ccc2c1 180489516 XMTFDROPMXOMDX-ZCXUNETKSA-N 269.344 3.913 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc(C)c(C)cc1Cl 180649672 CNUJHQNLSJVQFX-SNVBAGLBSA-N 278.783 3.579 30 20 CHED CC(C)N(CCCN[C@H](C)c1cccc(C#N)c1)C(C)C 181846808 MVQNAHKLQJIUAZ-MRXNPFEDSA-N 287.451 3.718 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)[C@@H](C)CC 182609844 VJAXCFSFZSWJBT-STQMWFEESA-N 265.422 3.945 30 20 CHED C=CCCC[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 182683529 JEJMVDIIPZMZTR-LSDHHAIUSA-N 272.392 3.812 30 20 CHED CC[C@H](CC#N)NC(=O)CCc1ccc2ccccc2c1 183911555 SQACROFFPCEYQW-QGZVFWFLSA-N 280.371 3.581 30 20 CHED CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 185786305 TUFUFLGDXPYIDJ-IAGOWNOFSA-N 285.435 3.705 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)c1cccc(O)c1)c1ccccc1 186851037 OSCJVXOWEYAASV-KDOFPFPSSA-N 295.382 3.929 30 20 CHED N#CC1(C(=O)OCc2ccc(OCC3CC3)cc2)CCCC1 190512525 CPGCRQSDELHECG-UHFFFAOYSA-N 299.370 3.603 30 20 CHED CC(C)(C)CN(CCC#N)Cc1nccn1-c1ccccc1 191325738 AURHRVLVAHQJJE-UHFFFAOYSA-N 296.418 3.634 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C#N)c(Cl)c1 191800715 BGKKOZDZWYWDBK-CQSZACIVSA-N 262.740 3.752 30 20 CHED C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1cccs1 192471902 HTAFSVZUUGKYAA-VIFPVBQESA-N 289.335 3.642 30 20 CHED C#CCOc1ccccc1NC(=O)c1ccccc1CC 192505443 BHJIUNSYNNZHOX-UHFFFAOYSA-N 279.339 3.513 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc(Cl)s2)C1 192751412 DYGLZSVLWQQPHJ-UWVGGRQHSA-N 254.786 3.573 30 20 CHED C=C(C)[C@@H](NC[C@@H]1CCC=CO1)c1ccc(F)c(F)c1 194718301 LYFXWFTXFPINHR-XJKSGUPXSA-N 279.330 3.864 30 20 CHED CC(C)Oc1cccc(/C=C/c2ccc(C#N)cn2)c1 194858410 BBXHXEBGGPJYIJ-SOFGYWHQSA-N 264.328 3.911 30 20 CHED C=CCCC(=O)CSc1nc(-c2ccccc2)co1 195101501 RTYIEMBNASRANP-UHFFFAOYSA-N 273.357 3.969 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2ccccc2F)c1 212585733 VBCCSRQXYFQLBK-CLFYSBASSA-N 286.302 3.739 30 20 CHED C=CCSCCN[C@H](CC)c1ccc(OC)c(OC)c1 221943718 BBNXSXRURKENEA-CQSZACIVSA-N 295.448 3.664 30 20 CHED C#CCCCCNc1cc(Br)ccc1[N+](=O)[O-] 223013072 IFDJGFYQSLAQSP-UHFFFAOYSA-N 297.152 3.573 30 20 CHED CC1(C)C(Nc2nc(Cl)c(C#N)s2)C1(C)C 232799056 JHXSPEKTPKITHG-UHFFFAOYSA-N 255.774 3.515 30 20 CHED C[C@@H](CNc1nccc(C#N)c1Cl)c1ccccc1 235143574 JGGYEXWBKPIJPG-NSHDSACASA-N 271.751 3.822 30 20 CHED CCCCCCCC(=O)OCC(=O)Nc1ccc(C)cc1 247994306 OYIRRGKLNTXLDK-UHFFFAOYSA-N 291.391 3.837 30 20 CHED N#Cc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1F 248895777 UAEOLIYRNUDHRO-CVEARBPZSA-N 290.407 3.557 30 20 CHED C/C(=C/C(=O)O[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl 255514833 GWACOBAAWUJVDV-ZBNJQPBLSA-N 289.762 3.979 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(OC)c(C#N)c2)o1 255580322 KLEJOVARIPHBKX-DAXSKMNVSA-N 281.311 3.618 30 20 CHED Oc1ccccc1C=Nc1ccc(OC(F)F)c(F)c1 255602797 CMUGODRURYRANW-UHFFFAOYSA-N 281.233 3.883 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@@H]1CCCS1 255900709 NYWKRDWQSFNWJI-MFVBVHDHSA-N 271.385 3.860 30 20 CHED CN(CC1(C#N)CCC1)c1ccc(F)c(Cl)c1 258801479 ARUGCAFWLKILFQ-UHFFFAOYSA-N 252.720 3.609 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(C[C@H](C#N)CCC#N)C1 267568212 COKDMZPJSRINJF-RBUKOAKNSA-N 295.430 3.775 30 20 CHED N#C[C@H](NC(=O)C=C1CCC1)c1c(Cl)cccc1Cl 267981837 LLCLTMJPICZPPL-LBPRGKRZSA-N 295.169 3.785 30 20 CHED C#CC[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccccc1 270226452 HWGXGTKFPSDJAR-RDTXWAMCSA-N 296.414 3.724 30 20 CHED C#CCCCCC(=O)N(CC)c1ccc(OCC)cc1 271371712 LHXYRAVKOODRJW-UHFFFAOYSA-N 273.376 3.632 30 20 CHED C=CCN(C(=O)Nc1cccc(SCC)c1)C1CC1 271595703 UMIGEMXCSLRNIE-UHFFFAOYSA-N 276.405 3.981 30 20 CHED COc1cc(C)cc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 271919546 DDSUFIZJOYPUDT-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C=CC[C@H](C)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 272883052 NTHMWTZQLDCQMQ-LZLYRXPVSA-N 272.436 3.594 30 20 CHED C=C(Cl)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273410900 IDWGGJDWFROICK-LSDHHAIUSA-N 283.774 3.730 30 20 CHED CC(C)(C#N)CCCCOc1ccc(Cl)cc1C(N)=O 277730467 PHWYECKWJMYYKQ-UHFFFAOYSA-N 294.782 3.538 30 20 CHED C=CC[C@H](C)N[C@@H]1CCC[C@@H](c2ncccc2C)C1 281156256 BDUDPPBKNOEIKF-ARFHVFGLSA-N 258.409 3.970 30 20 CHED C=C1CCN(C(=O)c2nc(-c3ccccc3)cs2)CC1 283121945 HXCMKIQMVZKWJD-UHFFFAOYSA-N 284.384 3.602 30 20 CHED CCOC1CC2(CCN(c3c(Cl)cccc3C#N)C2)C1 286314869 JHGHETDYSWWFKM-UHFFFAOYSA-N 290.794 3.607 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C)C(F)(F)F)c1ccccc1 289971316 CULDNIZSQPWPDD-DGCLKSJQSA-N 285.309 3.803 30 20 CHED C=CCC1(C(=O)N2Cc3cccc(Cl)c3C2)CCC1 290334669 FDNSLWYLQGTNRM-UHFFFAOYSA-N 275.779 3.929 30 20 CHED C=C[C@@H](CC(=O)N1CCC(F)(F)[C@@H](C)C1)c1ccccc1 290839582 HDTWUFNPYQMWNG-KBPBESRZSA-N 293.357 3.850 30 20 CHED C=CC[C@H](CC)NCc1ccnc(Cl)c1Cl 291684959 XMPLXFUASZCDRK-JTQLQIEISA-N 259.180 3.833 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 292601733 KRLONSWIZACKSJ-GJZGRUSLSA-N 287.407 3.529 30 20 CHED CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[C@@H](C#N)C1 293374801 FYVNEEACHFBFBJ-MJGOQNOKSA-N 297.446 3.801 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(F)cc2F)no1)OCC 293376164 PPVKAMLLIKXVAR-CYBMUJFWSA-N 294.301 3.539 30 20 CHED CSc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 294395894 LVLKUWGDAUVYEG-MRXNPFEDSA-N 286.400 3.821 30 20 CHED CN(CC(C)(C)CCC#N)[C@H](CO)c1ccc(Cl)cc1 295102665 TVWSYECGEUCSFU-OAHLLOKOSA-N 294.826 3.635 30 20 CHED CC(C)(C#N)C(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 297805736 LGYPUYVEKNJCHN-LLVKDONJSA-N 296.292 3.619 30 20 CHED N#Cc1cc2c(nc1N1CCC[C@H]1c1ccsc1)CCC2 298731169 SJGNJBSVULNIKN-INIZCTEOSA-N 295.411 3.845 30 20 CHED N#Cc1c(NC2CC(c3ccccc3)C2)nc2ccccn12 302103550 QWJSDZCBHBCLJF-UHFFFAOYSA-N 288.354 3.564 30 20 CHED CC[C@H]1CCCCN1CCNc1ccc(Cl)cc1C#N 303529706 DRMAWVIOMMRHRD-HNNXBMFYSA-N 291.826 3.888 30 20 CHED Cc1ccc(N/C(N)=N/CC2(C)CCCC2)cc1C 304757727 PEJZGYONEMJJII-UHFFFAOYSA-N 259.397 3.610 30 20 CHED Cc1cc(C#N)cc(NC(=O)CSc2ccccc2)c1 308119424 COBCNSWVYSZHGK-UHFFFAOYSA-N 282.368 3.598 30 20 CHED Cc1cscc1CNc1snc(Cl)c1C#N 309614326 BCDFXTVGDFDXNX-UHFFFAOYSA-N 269.782 3.650 30 20 CHED C=CCCCCN[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 309752209 WGOVIXHQAOEXGL-CABCVRRESA-N 296.455 3.626 30 20 CHED Cc1c(C(=O)N(C2CC2)C2(C#N)CCC2)oc2ccccc12 330088171 NVBXFJFLPORSMM-UHFFFAOYSA-N 294.354 3.792 30 20 CHED CC1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CCCC1 331077443 WGAWHVVQFHJPHW-UHFFFAOYSA-N 284.403 3.798 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N(C)CC(C)(C)C)c1C 331142098 RJNXGXQUGBYEGC-NSHDSACASA-N 280.416 3.686 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCOC2(CCC2)C1 335104588 PKPFQZJSYDMFQN-FUHWJXTLSA-N 296.414 3.627 30 20 CHED CC(C)c1ncc(C(=O)Nc2ccc(C#N)c(F)c2)s1 335183574 GDPWSKQUZNPXRZ-UHFFFAOYSA-N 289.335 3.530 30 20 CHED C[C@H](N[C@H]1COCc2ccccc21)c1ccc(C#N)c(F)c1 335305031 VPSODSDXFPUNQM-SGTLLEGYSA-N 296.345 3.619 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(F)c(SC)c1 337086503 FDYLCVWYLUBWPA-LLVKDONJSA-N 267.369 3.632 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](CC#N)c1ccccc1 337092868 MVOMIYUIXGYEPI-HOTGVXAUSA-N 270.376 3.545 30 20 CHED C[C@H](Nc1c(Cl)cccc1C#N)c1ccncc1F 337871621 RNTJOBDCCQJCAG-VIFPVBQESA-N 275.714 3.919 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1Cl)c1c(C)noc1C 339784970 HSQJBVOCSXKFIH-LBPRGKRZSA-N 290.754 3.775 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(OC)c(C#N)c2)C1 340193677 CNIIHLXUQBEOKF-QGZVFWFLSA-N 272.392 3.579 30 20 CHED C[C@H]1CCC[C@@H](C)CN1c1nccc(C#N)c1Cl 342350955 QFRJWGKIPBYOHO-MNOVXSKESA-N 263.772 3.622 30 20 CHED Cc1ccc([C@H]2CCCN2c2ccnc(C#N)c2)s1 342406911 LHUKGARFJGMUSU-CQSZACIVSA-N 269.373 3.665 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 343042411 AWEGFPZFQDEKMU-HUUCEWRRSA-N 283.762 3.883 30 20 CHED Cc1ccnc(N[C@H]2CSc3ccccc32)c1C#N 343430622 DJFULNMNZTZTHM-ZDUSSCGKSA-N 267.357 3.521 30 20 CHED COc1ccc(CNc2nccc(C)c2C#N)cc1Cl 343474339 JBFGKMDAXXSOSR-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CCCc2sc(C)nc21 346459403 OLACBHHUOAUJRJ-AAEUAGOBSA-N 292.448 3.732 30 20 CHED CCc1nc([C@H](C)Nc2ccc(C#N)cc2)cs1 347265714 BFNHRXPRJDRGTB-JTQLQIEISA-N 257.362 3.750 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(C)o1 348875239 KOMHXIJTYOBGAD-UHFFFAOYSA-N 287.407 3.944 30 20 CHED C=CCN(Cc1ccc(OC)c(OCCC)c1)C1CC1 350269769 RVIRZRKAWVJOBC-UHFFFAOYSA-N 275.392 3.634 30 20 CHED N#CCN(Cc1cc(C(F)(F)F)ccc1Cl)C1CC1 352742578 OLXZOFSURZVDHR-UHFFFAOYSA-N 288.700 3.847 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)c1ccc(C)nc1 352757781 HMNXSWYJTMCNPY-UHFFFAOYSA-N 272.392 3.510 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H](C)C1 355131574 JAQYPOIVWLCERA-QWHCGFSZSA-N 260.356 3.565 30 20 CHED C=CCC(CC=C)c1nc(Cc2c[nH]c3ncccc23)no1 357140227 GXHOSKJPUWNTSU-UHFFFAOYSA-N 294.358 3.773 30 20 CHED C[C@H](Nc1cccnc1C#N)c1ccc(OC(F)F)cc1 358849856 DTRAVOLJRDLDPB-JTQLQIEISA-N 289.285 3.728 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H]1C(C)C 359119447 YNDNBNNPRPSVMY-OAHLLOKOSA-N 288.439 3.747 30 20 CHED C=CCC1(C(=O)NCCc2ccc3ccccc3n2)CCC1 359429208 APIXVUQOOJYABI-UHFFFAOYSA-N 294.398 3.640 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](CC3CC3)C2)cc1 359698105 VFYKBBXLDKQZJJ-HNNXBMFYSA-N 285.387 3.514 30 20 CHED Cc1nc(NCC[C@H]2CCO[C@H](C)C2)c(Cl)cc1C#N 360085836 ATONNIBRHOLBQZ-PWSUYJOCSA-N 293.798 3.532 30 20 CHED C=C(C)CCc1noc([C@H](C)c2cccc(C#N)c2)n1 361261999 IFXJYECSSNJSEV-GFCCVEGCSA-N 267.332 3.602 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(OC3CCC3)cc2)c1 361435690 NHCMWYICASNWBG-UHFFFAOYSA-N 292.338 3.742 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(CCCC(C)(C)C#N)C1 363830509 UVMMUXJHPGVVGE-ZBFHGGJFSA-N 271.408 3.794 30 20 CHED C#Cc1ccc(CN[C@H]2CCCc3cnn(C(C)C)c32)cc1 367360989 MGGNORWUWLQCFQ-SFHVURJKSA-N 293.414 3.613 30 20 CHED CC(C)(C#N)CCCCN[C@@H]1CCCC12CCOCC2 370306068 RQHMIDVHXJDIQU-OAHLLOKOSA-N 278.440 3.645 30 20 CHED CCC[C@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 371414830 MMRBFVBKUMEVMM-AWEZNQCLSA-N 282.387 3.610 30 20 CHED C=CC[C@H](C)[C@H](C)NCC1(c2ccccn2)CCC1 376125231 BLXHIUHZKBZVSJ-GJZGRUSLSA-N 258.409 3.694 30 20 CHED CCCCCCCCCCCC(=O)N1C[C@@H](O)C[C@H]1C 385087432 INDRPIYMPZDCDG-CVEARBPZSA-N 283.456 3.889 30 20 CHED N#CCOc1cccc(N[C@@H]2CCCC23CCC3)c1 394742990 SUSYYGNZKRFSJT-OAHLLOKOSA-N 256.349 3.724 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Oc1ccccc1Cl 410140663 BPEUWIYCLOOFSP-VXGBXAGGSA-N 281.783 3.578 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 410833383 GQODXFDYSYVMAY-LVQVYYBASA-N 276.424 3.744 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](C)CC(F)F)c1 411937818 MJHBXJCLSQUXRK-NSHDSACASA-N 283.318 3.871 30 20 CHED C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1(C)C 412256666 VZTLGIQSJNNSFP-RRQGHBQHSA-N 296.414 3.556 30 20 CHED CC1(C)CCCN(C(=O)Cc2cccc(C3CC3)c2)[C@H]1C#N 412287997 FWLADMKWDUVCPE-KRWDZBQOSA-N 296.414 3.647 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC[C@@H]1CCSC1 414541834 WXJCRFRYESQXSQ-HOTGVXAUSA-N 261.434 3.517 30 20 CHED C=CCC[C@H](C)N[C@H]1CC(C)(C)Oc2ccc(N)cc21 415034025 KPTNIANVVYENEJ-WFASDCNBSA-N 274.408 3.815 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(CC#N)c1)[C@@H]1CC1(C)C 417208285 OJSORVZZINDQPC-LSDHHAIUSA-N 285.391 3.699 30 20 CHED C=CCCCn1c2c(c(=O)c3cc(OC)ccc31)CCCC2 419122803 GARXZFWMAZMLSV-UHFFFAOYSA-N 297.398 3.855 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1ccc(C#N)cc1 421868583 CXHHHBZJXOEZQU-MRXNPFEDSA-N 281.384 3.732 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(C#N)s2)c(F)c1 421878761 MGRRUTFLNVDCRM-SNVBAGLBSA-N 290.363 3.618 30 20 CHED CCCC[C@@H](C)N(C)C(=O)[C@H](C#N)CCc1ccccc1 428158670 RLBQSSBNYMXXJF-WBVHZDCISA-N 286.419 3.796 30 20 CHED C[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 429549179 POJKDEUFTUVLEJ-GXFFZTMASA-N 291.782 3.864 30 20 CHED Cc1ccccc1-c1noc([C@@H](C)N(C)CC(C)(C)C#N)n1 433297010 KCFZRSSOTCFQDA-CYBMUJFWSA-N 298.390 3.588 30 20 CHED Fc1ccc(C#CCOc2ccc(F)cc2F)cc1 433387919 SHRBBFDAYQAQGV-UHFFFAOYSA-N 262.230 3.534 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCc1cccc(F)c1 436306828 PMMKYPDXVJUPPH-LESCRADOSA-N 291.410 3.718 30 20 CHED C=C(C)CN(C)Cc1ccc(N(C)c2ccccc2)nc1 437143638 MQFHPQCDQXSSLB-UHFFFAOYSA-N 281.403 3.857 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccnn1[C@@H](C)CC(C)C 439387341 NQFJCJRRIJJACW-UONOGXRCSA-N 292.427 3.966 30 20 CHED C=CCNC(=O)NCc1sc2ccc(Cl)cc2c1C 441017788 ZFVKGKLPOIMLFR-UHFFFAOYSA-N 294.807 3.848 30 20 CHED Cc1oncc1CN(Cc1ccc(C#N)cc1)CC(C)C 445798411 HMQLOAJIHHUZPC-UHFFFAOYSA-N 283.375 3.513 30 20 CHED CCC1(CC)CCN(c2c(C#N)nnc3ccccc23)C1 446844197 FPPZOSUTBHZKIF-UHFFFAOYSA-N 280.375 3.518 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccc(C#N)cc1 447564355 WTNILEIACAWPIY-SFHVURJKSA-N 275.355 3.671 30 20 CHED N#Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)c(F)c1 448111581 ZMJAVYAWLCYSRH-UHFFFAOYSA-N 273.217 3.519 30 20 CHED CCCOc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1Cl 448747240 JFVXSWXCULTQTP-BMIGLBTASA-N 292.766 3.617 30 20 CHED CC[C@H](NC1CCC(C)(C#N)CC1)c1ccncc1 449160779 CNLDTDROGUYESC-PCKAHOCUSA-N 257.381 3.595 30 20 CHED C=CCC1(CN[C@H]2CCO[C@H](C(F)(F)F)C2)CCCC1 449606262 QDDFORLZSRZKPV-STQMWFEESA-N 291.357 3.822 30 20 CHED C=CCC1(C(=O)NCCc2nc(C)c(C)s2)CCCC1 450133933 NFGJDSHHJZGTON-UHFFFAOYSA-N 292.448 3.555 30 20 CHED C=CCCN(C)C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 455211755 PLIUFXCNPRNYHJ-SJORKVTESA-N 286.419 3.788 30 20 CHED C=CCCC1(C(=O)N2CCCc3ccccc3CC2)CC1 456314926 PKXKNTBTVSTNGY-UHFFFAOYSA-N 283.415 3.750 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1cccc(CC#N)c1 456744685 HBLNPXGBZOQRAN-TZMCWYRMSA-N 256.349 3.517 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1cccc(CC#N)c1 456749645 LFVQWNUFVKEPTA-UHFFFAOYSA-N 293.370 3.832 30 20 CHED C=C(C)CN(CC)c1nnc(-c2sccc2C)n1CC 460309152 FOXHVGIBJARZAU-UHFFFAOYSA-N 290.436 3.737 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@H]1CC 460562433 SNDQABWQKTUXBI-MRXNPFEDSA-N 296.418 3.900 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)c1ccccc1 460786839 MVEXDSVJXHXQJA-UHFFFAOYSA-N 270.380 3.746 30 20 CHED N#Cc1ccc(NC(=O)NCCC2=CCCCCC2)cc1 463670946 COSVUZGKJOIZJN-UHFFFAOYSA-N 283.375 3.960 30 20 CHED C=CCN(CC=C)C(=O)COc1ccc(C2CCC2)cc1 466380364 NEDTYPFIABIWBJ-UHFFFAOYSA-N 285.387 3.534 30 20 CHED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)C#N 467289955 VUHBYMWCGNNVRR-JTQLQIEISA-N 299.201 3.890 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2ccsc2s1 468003933 KMWRITYGOXDESD-GFCCVEGCSA-N 266.391 3.899 30 20 CHED N#Cc1ccc(SCc2ccc(F)c(C#N)c2)cc1 468632375 WOSXOILFPIFGPQ-UHFFFAOYSA-N 268.316 3.861 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)CCC1CC1 469786953 QXRQFBDFQNATHR-CYBMUJFWSA-N 273.376 3.560 30 20 CHED C=CCCCCNC1CCN([C@H]2CCCC[C@@H]2C)CC1 471598753 YFVUKEDVKWOUHE-WMZOPIPTSA-N 278.484 3.975 30 20 CHED C=CCC[C@H](NCC1(C)CCC(OC)CC1)C1CC1 479453437 NBNGPTRUTRGCDJ-CGZBRXJRSA-N 265.441 3.916 30 20 CHED CN(C(=O)[C@H]1CC12CCCC2)c1cc(Cl)ccc1C#N 479563607 NNDWPWLOLXLCHH-CYBMUJFWSA-N 288.778 3.755 30 20 CHED C=C(C)CN(C)Cc1c(C(=O)OCC)oc2ccccc12 481232681 HAKUXGQIZSHPNG-UHFFFAOYSA-N 287.359 3.617 30 20 CHED N#CCN(CCCc1c(Cl)cccc1Cl)C1CC1 482162788 IMOGHHFDCUHVHX-UHFFFAOYSA-N 283.202 3.914 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccc(OC)c1 482882456 VZYUUKMTJOUKQF-UHFFFAOYSA-N 287.403 3.904 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1cccc(C#N)c1)C1CC1 485583836 WKNAIGJTPBHKJG-GOSISDBHSA-N 290.366 3.748 30 20 CHED C=CCC(C)(C)C(=O)NCCc1c(C)cc(C)cc1C 487471419 AGMLTAXHJZZYCV-UHFFFAOYSA-N 273.420 3.873 30 20 CHED Cc1nc(N(C)[C@H](C)c2ccc(F)c(F)c2)ccc1C#N 487927190 SDFAFXFFVJSYBR-LLVKDONJSA-N 287.313 3.737 30 20 CHED C=CCC[C@H](N=c1ccc(C#N)c(C)[nH]1)c1ccccc1 488096034 XWJLTTPOEFFWDB-KRWDZBQOSA-N 277.371 3.803 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)Oc1ccccc1F 488875429 GGVJDPBHSFTWSZ-HIFRSBDPSA-N 291.366 3.550 30 20 CHED C=CCN(C)Cc1cc(Br)ccc1Cl 494246097 YBVOMJSFDWCWHX-UHFFFAOYSA-N 274.589 3.720 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCCOc1cccc(C#N)c1 495400837 GCRQWOYWNUCNEE-HZPDHXFCSA-N 294.398 3.719 30 20 CHED C=CC[C@@H](CC)N[C@H](C(=O)N(CC)CC)c1ccccc1 500815947 NDLWMGYIDQBAGD-SJORKVTESA-N 288.435 3.540 30 20 CHED C=C(C)CCc1noc(Cc2ccc(Cl)cc2)n1 508642571 ARWZJBPOAUUKMB-UHFFFAOYSA-N 262.740 3.823 30 20 CHED C=C(C)CCN1C[C@H](c2ccccc2C)OC[C@H]1C 509679426 HSWBVLFARCPUGV-NVXWUHKLSA-N 259.393 3.723 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C)cc(Cl)c1 515374387 QVCKDRIQBCVSKN-GOEBONIOSA-N 279.811 3.719 30 20 CHED N#CC1(CNc2ccnc3cc(F)c(Cl)cc23)CC1 519521797 GNEBXBVAGJTYRF-UHFFFAOYSA-N 275.714 3.743 30 20 CHED C=CC1CCN(CCCOCCc2ccccc2)CC1 522080458 ICWGZOCZMJVFTC-UHFFFAOYSA-N 273.420 3.534 30 20 CHED CC(C)(C)[C@@H]1CCCN1Cc1ccc(F)cc1C#N 525271810 TYIYTLMNSJCQCA-HNNXBMFYSA-N 260.356 3.708 30 20 CHED CCN(CC)C[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 530714363 QBSBZRNIABRXTP-OALUTQOASA-N 299.462 3.548 30 20 CHED Cc1cc(C)cc(OCC(=O)Nc2cccc(C#N)c2C)c1 532892653 MRCJUZDUPVQMPU-UHFFFAOYSA-N 294.354 3.501 30 20 CHED COC(=O)c1cccc(CSc2ccc(C)cc2)c1C#N 535919540 TYFRFGHEGSYAEQ-UHFFFAOYSA-N 297.379 3.946 30 20 CHED C=C(C)CN(CC)Cc1ccc([N+](=O)[O-])cc1Cl 541070298 HEFQWMTZXRTSPM-UHFFFAOYSA-N 268.744 3.646 30 20 CHED C=CCNC(=O)CS[C@H](C)c1ccc(C(C)C)cc1 541293231 RCYDOVPFXJXYPV-CYBMUJFWSA-N 277.433 3.906 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 542376975 AOAJEJXGERMYBK-LBPRGKRZSA-N 289.354 3.597 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 552410404 XWFXQSKIOHFPLX-AUUYWEPGSA-N 298.430 3.898 30 20 CHED C=CCN(CC=C)C(=O)NCC[C@@H](C)c1ccccc1 555907485 CUEKQLAFLJPUKH-OAHLLOKOSA-N 272.392 3.564 30 20 CHED C=CCCc1noc(-c2scnc2C2CCCC2)n1 556450358 AROKQLXHHNDOPV-UHFFFAOYSA-N 275.377 3.969 30 20 CHED CC(C)(CNc1cc(C#N)ccn1)c1ccccc1Cl 557565759 NCVDXHJHFGTZHT-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CSc1cccc(C)c1NC(=O)c1ncc(C#N)cc1C 560381530 IQVAGVIFIYMJIU-UHFFFAOYSA-N 297.383 3.544 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)C(C)(C)C 565364640 GVZOGWFISPVAPG-UHFFFAOYSA-N 260.381 3.599 30 20 CHED N#Cc1cc[nH]c(=Nc2ccc(OCC3CC3)cc2)c1Cl 569951347 ANDKXIXKPDKYTJ-UHFFFAOYSA-N 299.761 3.561 30 20 CHED C=CCC1(CN[C@H]2CCC23CCOCC3)CCCC1 573198796 QHMLLCVWXAQKRV-HNNXBMFYSA-N 263.425 3.672 30 20 CHED CCCOc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 574298676 RHAVDGFVYKMSEY-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C=CCn1cccc1C(=O)NC[C@@H]1CCCCC(F)(F)C1 574352259 OELINIQJHSXWTN-CYBMUJFWSA-N 296.361 3.620 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)O)cc1 578523904 VCDRHQCTZFZUET-MJGOQNOKSA-N 289.334 3.514 30 20 CHED Cc1nsc(N2CCC[C@@H](CC(C)C)C2)c1C#N 578629140 HVSDVPGNGUJXEH-LBPRGKRZSA-N 263.410 3.586 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(CC)C(C)C 582036334 LXSIEEKCOGYRLC-UHFFFAOYSA-N 276.428 3.747 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)CCCCCC#N)[C@@H]1C 588166037 JNJUYSDZFPKCJR-KFWWJZLASA-N 264.413 3.649 30 20 CHED CCC[C@H](NC(=O)CCCCCC#N)C1CCC1 590922306 SCTUBNQSKQVFFC-AWEZNQCLSA-N 250.386 3.545 30 20 CHED C[C@H]1C[C@H](CC(=O)N(C)c2ccc(C#N)nc2)CC(C)(C)C1 593275070 YDFJKAOVWFVRNN-UONOGXRCSA-N 299.418 3.769 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 593438393 AMDCDJPBPSRQEH-SECBINFHSA-N 285.372 3.662 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](C)c1ccccc1C(F)(F)F 594088003 FYNGHDQROHYVOT-MNOVXSKESA-N 298.308 3.569 30 20 CHED C[C@@H](C#N)N(Cc1cc(Cl)cc(Cl)c1)C1CC1 595710702 UTFYQSOZRLSCNF-VIFPVBQESA-N 269.175 3.870 30 20 CHED CCc1ccc(O)c(NC(=O)CC2(C#N)CCCCC2)c1 597441375 LWDOXYOOSLGXIX-UHFFFAOYSA-N 286.375 3.757 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC#N)C1 601620434 JBTUHCUSGSEHCN-DZKIICNBSA-N 284.403 3.697 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1CC#N 601628007 LSXUWPPUTIVBRL-CVEARBPZSA-N 284.403 3.697 30 20 CHED COCC[C@@H](C)Sc1ccc(Cl)cc1C#N 601910890 CAGKMPPEDHTWIL-SECBINFHSA-N 255.770 3.729 30 20 CHED COc1ccc(Cl)cc1CN(C)C[C@H](C)CCC#N 602437014 QAJOZSWDHMWTDX-GFCCVEGCSA-N 280.799 3.720 30 20 CHED C[C@@H](CCC#N)CN1CCc2c(Cl)cccc2C1 602477886 YKKHLJVHWZIICY-LBPRGKRZSA-N 262.784 3.638 30 20 CHED N#Cc1cccnc1NCCc1c[nH]c2cc(Cl)ccc12 604487177 OQWCGNMFEUMOLN-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccccc1C#N 609092641 GEOHJZNGYBUJRG-STQMWFEESA-N 256.349 3.713 30 20 CHED CC(C)(NC(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 609976387 LJOCUXRRCOALJB-UHFFFAOYSA-N 298.773 3.877 30 20 CHED N#Cc1ccc(N2CCC(C3CCCC3)CC2)c([N+](=O)[O-])c1 610281821 PKXQFFYKWUQFEK-UHFFFAOYSA-N 299.374 3.873 30 20 CHED C[C@H](NC(=O)N1C[C@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 610357686 RJLMSNNYBHOUML-ILXRZTDVSA-N 299.418 3.839 30 20 CHED CCCN(CCCOC(C)(C)C)Cc1ccc(C#N)cc1 610681314 NOZBMPREVDUHMS-UHFFFAOYSA-N 288.435 3.975 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1CC1(C#N)CC1 611430353 ABWDEBCSVRJMQQ-INIZCTEOSA-N 254.377 3.546 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)N[C@H](C)c1cccc(C#N)c1 618795108 BHDMWWVDTGKEGI-VCBZYWHSSA-N 294.398 3.985 30 20 CHED C=CCN(C(=O)[C@@H]1CCc2ccc(OC)cc21)C(C)(C)C 622945022 PCFJAJXOHHBCLJ-OAHLLOKOSA-N 287.403 3.538 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(OC)c1C 628697608 DFSVVTTXDLVPOS-UHFFFAOYSA-N 291.391 3.705 30 20 CHED C=CCCC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 643612582 MGXNBLYCAYBIPF-JTQLQIEISA-N 291.782 3.702 30 20 CHED C=CCCCCNC(=O)NCc1ccc2occc2c1 661034224 RSFRMDKFQLSEBW-UHFFFAOYSA-N 272.348 3.588 30 20 CHED C=CC[C@@H]1CCCN(Cc2csc([C@H](C)OC)n2)C1 661381153 WMPMEGPJNDSONT-QWHCGFSZSA-N 280.437 3.639 30 20 CHED C=C(C)CCNC(=O)c1cc2c(C)cc(C)nc2s1 661738924 VVQCGFQTCUGPCP-UHFFFAOYSA-N 274.389 3.609 30 20 CHED C=C[C@@H](C)NC(=O)CCc1nc2cc(Cl)ccc2s1 674952234 YKXZFBWCHYTWDK-SECBINFHSA-N 294.807 3.573 30 20 CHED C=CCCOCc1nc([C@H]2CCCc3ccccc32)no1 680679150 NYISTRWOKWIZHQ-HNNXBMFYSA-N 284.359 3.631 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)Cc1ccccc1F 695727833 BQEPULCGNCFNLG-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 708548933 KHVCHJTYCNUVJD-OAHLLOKOSA-N 274.383 3.955 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1ccc(F)c(F)c1 727255784 GHJDYOPECKDKHM-UHFFFAOYSA-N 298.296 3.744 30 20 CHED CC(=NNC1CCCC1)c1ccc(OC(F)F)cc1 727652530 QPMQFLJWXRNUOE-UHFFFAOYSA-N 268.307 3.544 30 20 CHED C=CCOCC(=O)OCc1ccc(-c2ccccc2)cc1 729650139 OZXMTHUSCHCWAH-UHFFFAOYSA-N 282.339 3.599 30 20 CHED C=C(Cl)CN(C)CCc1ccc(Br)cc1 730377893 CNBTWDKUUKPTNK-UHFFFAOYSA-N 288.616 3.676 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H](c1ccccc1)C(C)C 732927683 VOZFWYYMGGTQFT-OAHLLOKOSA-N 276.449 3.766 30 20 CHED CCC(CC)NN=Cc1c(C)nn(Cc2ccccc2)c1C 734366577 XUFFRIMAHHQWIS-UHFFFAOYSA-N 298.434 3.660 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)CCc1ccc(C#N)cc1 736032919 JDBGBIMTVNKOHU-JKIFEVAISA-N 285.387 3.859 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)CCC(C)(C)C)[nH]c12 739193624 SULFHAJECQAWSK-LBPRGKRZSA-N 283.375 3.874 30 20 CHED CC(C)CN(CCC#N)CCCOc1cccc(Cl)c1 739914683 NHOLJVBAVSHNEO-UHFFFAOYSA-N 294.826 3.981 30 20 CHED COc1cccc(/C=N\C[C@H](C)c2cccc(C)c2)c1O 741165943 UBKKVYPXEUGLPN-YQNUULROSA-N 283.371 3.932 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 741845668 VIEUCVCOPHQGGB-PZEKQYFXSA-N 288.347 3.688 30 20 CHED C#CCCCNC(=O)Nc1nc(C)c(-c2ccccc2)s1 743077337 DGSPBPPKGUSIGR-UHFFFAOYSA-N 299.399 3.653 30 20 CHED CC(=NNc1nccc2sccc12)c1cnn(C(C)C)c1 746680135 QEYQDOCARSNFNO-UHFFFAOYSA-N 299.403 3.910 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)C1=C(C)CCC1 746797009 XGQMLEHXRCTRKB-UHFFFAOYSA-N 291.734 3.626 30 20 CHED CCN(Cc1ccc(SC(F)F)cc1)C[C@H](C)C#N 747447326 HITSNZZPAWXSHX-LLVKDONJSA-N 284.375 3.983 30 20 CHED N#Cc1csc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1 748439481 UZACTZSTXGTBMJ-XGICHPGQSA-N 286.743 3.766 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Cl)nc2)ccc1O 748999499 YPFHIKUGIWSKNT-DJWKRKHSSA-N 273.719 3.645 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)s1 749005465 KDTJXXKHUALXRK-AATRIKPKSA-N 281.336 3.546 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3ccc(F)c(F)c3)ccc21 751520523 BLDHDHRRDOJNSK-CLTKARDFSA-N 299.320 3.853 30 20 CHED C#Cc1cccc(NC(=S)NCC2(CC)CCC2)c1 752246811 HOORXPQLRAIAQL-UHFFFAOYSA-N 272.417 3.535 30 20 CHED CCCCCCCCNC(=O)/C=C/c1cnc(C)s1 754890361 ASUYYBSQSJSNCE-MDZDMXLPSA-N 280.437 3.941 30 20 CHED CCCCCCCCC(=O)N[C@@H](CC)[C@@H]1CCCO1 756105074 DTWDJFIPYRBTMM-GJZGRUSLSA-N 269.429 3.811 30 20 CHED CCCCCCCC(=O)OCCc1c(C)noc1C 756173889 HBLBRRQTCBZYKJ-UHFFFAOYSA-N 267.369 3.738 30 20 CHED Cc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)c(O)c1C 756734614 XLKGGBQYGHPWNA-CYBMUJFWSA-N 298.361 3.871 30 20 CHED C#CC[C@H](Nc1ccnc(C(C)(C)C)n1)c1ccccc1 756957004 ITNPVQVHRLZRGB-HNNXBMFYSA-N 279.387 3.951 30 20 CHED CN1CCCC(=NNc2ccccc2C(F)(F)F)CC1 758087981 AICHYFYXFOOFNZ-UHFFFAOYSA-N 285.313 3.589 30 20 CHED C#CCCCC(=O)OCCOc1ccc2ccccc2c1 759172920 CKKKSIZHZHFXTG-UHFFFAOYSA-N 282.339 3.565 30 20 CHED N#Cc1ccc2[nH]cc(C=NNc3c(F)cccc3F)c2c1 760259150 QEDKOPHLAZUXIV-UHFFFAOYSA-N 296.280 3.764 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)cnc1Cl 760266747 ZYDNAKRFFCEECS-DJWKRKHSSA-N 299.757 3.970 30 20 CHED O=C1/C(=C\c2csnn2)CCc2c1sc1ccccc21 763101756 RDVIBSIVFCHVPQ-CLFYSBASSA-N 298.392 3.965 30 20 CHED CO[C@H](C)C(C)=NNC(=S)Nc1ccccc1C(C)C 763167474 DOENROQODACQSM-GFCCVEGCSA-N 293.436 3.507 30 20 CHED CCC[C@H](C(=O)OCc1ccc(F)c(C#N)c1)C(C)C 763852721 FWSLLIRLOJNVAQ-AWEZNQCLSA-N 277.339 3.813 30 20 CHED C#CCCCN[C@H](C)c1cc(Cl)ccc1OCC 766223424 OYYAMTBQJPWCOD-GFCCVEGCSA-N 265.784 3.803 30 20 CHED C#CCC(C)(C)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 767048114 ZVDREKNQIHENTF-UHFFFAOYSA-N 285.431 3.992 30 20 CHED CCCCCCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 769896260 GMSQGTINMKAVDU-OLZOCXBDSA-N 281.362 3.592 30 20 CHED C#CCCNc1cccc(-c2ccc3c(c2)CCO3)c1 771682842 HJWHMPWRSNBMLI-UHFFFAOYSA-N 263.340 3.724 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)c1ccccc1)c1ccncc1 772063062 BIXMEEXNZNAUDV-RHSMWYFYSA-N 280.371 3.619 30 20 CHED CC[C@@](C)(NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 775394739 MUKSMZHRKQMRLN-RBUKOAKNSA-N 294.398 3.507 30 20 CHED N#CC1(COC(=O)c2cc3c(ccc4ccccc43)[nH]2)CC1 775828022 ZNXXWZXXWWENMC-UHFFFAOYSA-N 290.322 3.782 30 20 CHED C[C@H](C#N)OC(=O)CCCc1ccc2ccccc2c1 775919495 YHYQOPGTJIEVHJ-CYBMUJFWSA-N 267.328 3.618 30 20 CHED CCC[C@@H](C)CC(=O)O[C@@H](C#N)C1CCCCC1 776382178 AJCBMBSDSBRTSE-OCCSQVGLSA-N 251.370 3.828 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 777412801 ULWUHLFICUAMAI-BHDSKKPTSA-N 275.735 3.557 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccnc(Cl)c1 779460076 JSASTMGAKQPQSW-SREVYHEPSA-N 257.720 3.940 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccncc2)cc1 779825206 OMYXVBRLSXLPNZ-UHFFFAOYSA-N 253.349 3.825 30 20 CHED N#Cc1ccc(CNN=C2CC(c3cccc(F)c3)C2)cc1 781596250 AGULKFIUALAPBF-UHFFFAOYSA-N 293.345 3.721 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(O)c(Cl)c1 781987881 QHBXODVAUUNYTJ-UHFFFAOYSA-N 281.739 3.532 30 20 CHED CC(C)(C)CCNN=Cc1c(C2CC2)nc2sccn12 782907666 MRGGOEMOOXVIKR-UHFFFAOYSA-N 290.436 3.633 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2cncc(Cl)n2)C1 783823814 JTYOADVVBZPFAS-GHMZBOCLSA-N 266.776 3.744 30 20 CHED C#Cc1cccc(N[C@@H](CCOC)Cc2cccc(F)c2)c1 784659398 VMSPDVQUOMUCBH-IBGZPJMESA-N 297.373 3.867 30 20 CHED C=C[C@@](C)(CC)C(=O)NC1CCC(N2CCCCC2)CC1 785411829 XSWCHGKACXZDME-HTWSVDAQSA-N 292.467 3.502 30 20 CHED CCC(Cc1ccc(C)cc1)=NN[C@H](CO)c1ccccc1 788462611 YNGDGOVTSHQZIY-LJQANCHMSA-N 296.414 3.627 30 20 CHED CCC(C[C@H](C)CC)=NN[C@H](CO)c1ccccc1 788470409 XGTDSTLVHHVCGX-CZUORRHYSA-N 262.397 3.512 30 20 CHED C=CCCCc1nc(-c2cccc3ncccc23)no1 789854761 LKPKMZZQNOQFJC-UHFFFAOYSA-N 265.316 3.794 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])C1CCCC1 790306304 GKDMLEIHPKSLEX-UHFFFAOYSA-N 265.288 3.712 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C[C@@H]1C[C@H]2CC[C@H]1C2 790310688 KWZOEAUNBJDQLZ-DCAQKATOSA-N 277.299 3.568 30 20 CHED CC(C)(C)CCC(=O)[C@@H](C#N)c1cnc2ccccc2n1 792110264 XVOGNPRVSZDSPW-LBPRGKRZSA-N 281.359 3.632 30 20 CHED CCCCCCCC(=O)N1CC(C2CCCC2)C1 794197281 XNDMJUUNFRXKEA-UHFFFAOYSA-N 251.414 3.996 30 20 CHED CCCCCNC(=S)NN=Cc1ccc(C(F)F)cc1 794478475 PMZWNVBZTKQDHX-UHFFFAOYSA-N 299.390 3.612 30 20 CHED Cc1nsc(C)c1C(=O)O[C@H](C)c1cccc(C#N)c1 795949653 ZWKBAUWMRYODBZ-SNVBAGLBSA-N 286.356 3.550 30 20 CHED N#CC[C@H](CC(=O)OC/C(Cl)=C/Cl)c1ccccc1 795992995 RZTCMIFFHWGVBP-FNWMBBJUSA-N 298.169 3.936 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@](C)(CC)CCC 796326016 DFCSBXCFJMYCNE-YOEHRIQHSA-N 297.439 3.559 30 20 CHED CC#CCCCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567676 LHGOPTRPQIJELC-LBPRGKRZSA-N 288.416 3.810 30 20 CHED COc1ccccc1CON=Cc1cc(C)nc(Cl)c1 799117237 HDZHEVNDAVWOOO-UHFFFAOYSA-N 290.750 3.603 30 20 CHED COc1cc(/C=C2\Cc3ccc(F)cc3C2=O)ccc1C#N 799497378 PGEYLZPWGSGXCO-MKMNVTDBSA-N 293.297 3.528 30 20 CHED CC(=NNCc1ccccc1)c1c(C)cc(C)cc1O 799870475 NGSBZWXNMMWEQS-UHFFFAOYSA-N 268.360 3.523 30 20 CHED CCC(CC)NN=C1CCC[C@H](c2cccnc2)C1 799881133 ZBGJOQBMNBEKAH-ZDUSSCGKSA-N 259.397 3.873 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cccc3nccn23)c(O)c1 799896537 WEYVTCLOOIFNOO-VOTSOKGWSA-N 292.338 3.553 30 20 CHED N#CC1(CCCOC(=O)CC2=CCCCC2)CCOCC1 800163668 QCHPGTUUFXTVCZ-UHFFFAOYSA-N 291.391 3.521 30 20 CHED C[C@@H]1CC[C@H](C=NNc2ccc(Cl)c(C(=O)O)c2)C1 800805134 JOBKMPYEGRPYCV-ZJUUUORDSA-N 280.755 3.872 30 20 CHED Cc1ccc(CNc2nc(Cl)c(C#N)s2)cc1F 804338528 SYWUMVBZFRCSQF-UHFFFAOYSA-N 281.743 3.728 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1ccccc1F 805695672 CZWGVOACEWTVBX-LBPRGKRZSA-N 263.312 3.904 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCCSC1 807723668 OKJBPNKDPBZVJA-CQSZACIVSA-N 271.470 3.996 30 20 CHED C#C[C@H](NC(=O)c1cccc(-c2ccoc2)c1)C(C)(C)C 807878435 PVTGBLXTBCCLPG-INIZCTEOSA-N 281.355 3.724 30 20 CHED CC(CC(C)(C)c1ccccc1)=NN[C@@H]1CCSC1 808001460 CERQXLXKPOBBMN-OAHLLOKOSA-N 276.449 3.825 30 20 CHED C=C(CNc1cc(Cl)nc(C)n1)c1ccccc1 808073446 LMOMZTWGQQQAMI-UHFFFAOYSA-N 259.740 3.564 30 20 CHED CC[C@@H](C#N)OC(=O)CCSc1cccc(Cl)c1 808702455 HVDXKASLMJXOMJ-NSHDSACASA-N 283.780 3.668 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1cc(F)ccc1F 809579344 YZTPPSJCZRVLOB-ZDUSSCGKSA-N 252.308 3.555 30 20 CHED C=CCCCCOC(=O)c1cnn(C)c1Cc1ccccc1 811011723 JNKDBYCVOWWUGY-UHFFFAOYSA-N 298.386 3.524 30 20 CHED C#C[C@H](NC/C(C)=C/c1ccccc1OC(F)F)C(C)C 811505069 CMAVIZXKJKOJAX-VOMSXAGXSA-N 293.357 3.939 30 20 CHED CCC(=NOC/C=C\Cl)c1ccc2c(c1)CCO2 811669787 JDYWFNPBRRZOLY-RGJJDVKGSA-N 265.740 3.505 30 20 CHED C#CCON=C1CCC[C@H]1c1cccc(C(F)(F)F)c1 812232701 KGTJLIUIMNCVQX-ZDUSSCGKSA-N 281.277 3.979 30 20 CHED Cn1cc(/C=C\C(=O)c2cc(F)ccc2F)c(C(F)F)n1 812242270 UMZSWLDYOFMOKN-DJWKRKHSSA-N 298.239 3.532 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C(C)=C2CCCC2)cc1 813678982 VPNHBRUVMVDDJY-KRWDZBQOSA-N 282.387 3.820 30 20 CHED CC(C)(C#N)CCOC(=O)/C(F)=C/C1CCCCC1 814542624 LKFKQFWVNNGSBQ-RAXLEYEMSA-N 267.344 3.903 30 20 CHED Cc1cc(Cl)cc(C=Nn2cnc3ccccc32)c1 814778958 CSAFYQUXGQDCOM-UHFFFAOYSA-N 269.735 3.880 30 20 CHED CCCCCC[C@@H](C)NN=Cc1conc1CC 814858772 GTYANRXCJMSZFG-GFCCVEGCSA-N 251.374 3.519 30 20 CHED Oc1c(C=NOC/C=C\Cl)ccc2ccccc12 814933883 DMVXBPNTLILOHE-WFXYSFRUSA-N 261.708 3.648 30 20 CHED CC1(CNN=Cc2conc2Cc2ccccc2)CCCC1 814937265 AGOCQSUHIDLYKU-UHFFFAOYSA-N 297.402 3.769 30 20 CHED C[C@@H](NN=Cc1ncc(C(C)(C)C)s1)C(C)(C)C 814938421 KSPNSQXLQMCYHV-SNVBAGLBSA-N 267.442 3.799 30 20 CHED C=C1CCN(Cc2ccc3ccccc3c2O)CC1 816504822 DCQMYZOTUBZVIN-UHFFFAOYSA-N 253.345 3.697 30 20 CHED C#C[C@H](NC(=O)C(C)(C)CC=C)c1ccc(Cl)cc1F 816644809 XIHAKFGSJNQSRV-AWEZNQCLSA-N 293.769 3.872 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2n1C 819937302 CSGKAAIBAZUNDY-MCIONIFRSA-N 295.386 3.576 30 20 CHED CC1(C)CC[C@H](OC(=O)[C@]2(C#N)CC23CCCC3)C1 820719376 WKGGFEQGOCDZDF-BLLLJJGKSA-N 261.365 3.582 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccnc(Cl)c1 822269458 COWHSXGQHCFYGA-UHFFFAOYSA-N 267.760 3.601 30 20 CHED C=CCCCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 828729833 LLETZOYOPVSUOT-UHFFFAOYSA-N 296.754 3.643 30 20 CHED N#Cc1ccc(SCc2ccc(C(=O)O)s2)c(F)c1 833074527 ZVQQAKZDLYTZQC-UHFFFAOYSA-N 293.344 3.749 30 20 CHED CC(=NOCCC(F)(F)F)c1csc(C)c1 834971128 AQBMYBFUSRWCLK-UHFFFAOYSA-N 251.273 3.750 30 20 CHED CC[C@@H](C)CC=NNc1cccc(F)c1[N+](=O)[O-] 834975782 DGDAXGAZPOVEFG-SECBINFHSA-N 253.277 3.568 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCC(C)(C)CCC#N 835386072 HRUWDZJLXQJOQY-SNVBAGLBSA-N 279.302 3.838 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 837586844 CPJDDKWGVBKMSS-GDBMZVCRSA-N 287.378 3.628 30 20 CHED N#Cc1cccc(C=NNc2ccccc2Cl)c1 839384377 WKAYMWZZJFNKAH-UHFFFAOYSA-N 255.708 3.658 30 20 CHED N#CC1(CCOC(=O)CCc2ccoc2)CCCCC1 840277617 CYLYHQZUTRFIDG-UHFFFAOYSA-N 275.348 3.620 30 20 CHED Cc1cccc(-c2cccc(CO[C@@H]3CCOC3)c2)c1C#N 844231421 SIQSFHLJZWBEAN-QGZVFWFLSA-N 293.366 3.839 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)[C@H](C)c1ccccc1Cl 845639942 UCHMPPKSFZRHCL-GHMZBOCLSA-N 282.771 3.549 30 20 CHED N#CCCCCCC(=O)OCCc1ccc2ccccc2n1 845658819 CSDQTKQXCOXWGS-UHFFFAOYSA-N 296.370 3.795 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1ccc(C(F)F)nc1 847692214 YUBTYMJQPHXRRO-AWEZNQCLSA-N 269.291 3.778 30 20 CHED C=C(CC)COC(=O)c1ccc(C(F)F)cc1F 847723332 XPJXOGHFHFGUFU-UHFFFAOYSA-N 258.239 3.886 30 20 CHED C=CC(C)(C)CCOC(=O)c1cnc(C(C)(C)C)nc1 851300440 TVHGZQJOVMIFHO-UHFFFAOYSA-N 276.380 3.533 30 20 CHED CCc1cccc(OCCON=Cc2cccs2)c1 852107635 USRDNRIUPDQRSS-UHFFFAOYSA-N 275.373 3.740 30 20 CHED C[C@@]1(C#N)CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 853476801 TXLRTXZYGXGVBP-AWEZNQCLSA-N 295.289 3.662 30 20 CHED CCCCCCC[C@H](C)NCC1(C(=O)O)CCCC1 854242612 NXLFHEJLTLADAJ-AWEZNQCLSA-N 269.429 3.970 30 20 CHED C#CCC1(C(=O)NCCC2(CSC)CC2)CCCCC1 855397739 IRYMDHHLVMKYNR-UHFFFAOYSA-N 293.476 3.610 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](O)c1cccc2ccccc12 855483028 FNXRLTRDPUJPRU-IEBWSBKVSA-N 297.398 3.592 30 20 CHED C/C(=C\C(=O)O[C@H](C#N)C(C)(C)C)c1cccs1 857017157 CLQDXJROOYRHQS-ZJNQMXKESA-N 263.362 3.633 30 20 CHED C=C[C@](C)(CCOC)COC(=O)/C=C(/C)c1cccs1 857020711 IXTXCTYDYHEQBN-DVFVSVACSA-N 294.416 3.923 30 20 CHED Cc1cc(C#N)cnc1C(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 857069382 FNMCITLHKNPALX-RISCZKNCSA-N 286.375 3.633 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 858114929 XNMOWRJDAXAKSD-CVEARBPZSA-N 296.455 3.557 30 20 CHED C#CC[C@H](CCOC)Nc1ncc(-c2ccccc2)s1 858856964 JIMNUUUEOABVRM-CQSZACIVSA-N 286.400 3.650 30 20 CHED C=CCC1(NC[C@H](O)c2c(F)cccc2F)CCCCC1 859745330 JNCPMPXAPBEQBM-HNNXBMFYSA-N 295.373 3.867 30 20 CHED FC(F)(F)C(F)(F)CNN=Cc1ccsc1Cl 863181488 OWTFIEOZNHYXIA-UHFFFAOYSA-N 292.660 3.523 30 20 CHED C=C1CCN(C(=O)N[C@@H]2CCSc3ccccc32)CC1 864252633 CQQATCLTLOTCLD-CQSZACIVSA-N 288.416 3.585 30 20 CHED C[C@@H](C#N)OCCOc1ccccc1NC1CCCCC1 871792175 ZIESJRCBRZKBLI-AWEZNQCLSA-N 288.391 3.739 30 20 CHED C#CCCCCCCNCc1csc([C@@H](C)OC)n1 877074177 BFKAJSBJVHVXGD-CYBMUJFWSA-N 280.437 3.524 30 20 CHED C=CC(C)(C)CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 893061287 GMPOXZXJVPZPFJ-NSHDSACASA-N 296.292 3.879 30 20 CHED C[C@@H](CCC#N)CN1CCc2ccccc2C1(C)C 895017537 YGAWYDMWQQHKRP-AWEZNQCLSA-N 256.393 3.720 30 20 CHED N#Cc1nc(Nc2cnn(C3CCCC3)c2)ccc1Cl 895887225 RDAMLNFLXDKRQI-UHFFFAOYSA-N 287.754 3.662 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC3(CCCC3)C2)o1 901180383 VRFRCUALAQUFEW-UHFFFAOYSA-N 272.352 3.792 30 20 CHED CC[C@H](NC[C@@](C)(O)c1ccccc1)c1cccc(C#N)c1 902804363 PBGUHXUGRJZQDF-RBUKOAKNSA-N 294.398 3.507 30 20 CHED CC[C@H](N[C@@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 902888941 YRGMYLYEUJIMFL-CVEARBPZSA-N 272.392 3.557 30 20 CHED CC[C@H](NCCC(C)(F)F)c1cccc(C#N)c1 902999424 BYXFGGMSHMFQHF-ZDUSSCGKSA-N 252.308 3.644 30 20 CHED C[C@@H]1CCCC[C@@H]1/N=C/c1cc2ccccc2nc1O 912774558 JJALEPZUKULTQS-LEMBFTOYSA-N 268.360 3.938 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1cc2ccccc2o1 915654027 QGWRJOMKPVSZPG-BQYQJAHWSA-N 266.300 3.669 30 20 CHED COc1ccccc1NC(=S)NN=C1CCC[C@H](C)C1 915924805 BMVCZIACFGHWAZ-NSHDSACASA-N 291.420 3.548 30 20 CHED CC(=NNc1ccc(C)cc1)c1cc(F)ccc1O 916581229 USAFUIRFPFIQMP-UHFFFAOYSA-N 258.296 3.676 30 20 CHED CCC(=NNc1ccccc1)c1ccc2c(c1)OCCO2 917530698 WLABUNDLQJLKGZ-UHFFFAOYSA-N 282.343 3.684 30 20 CHED C(=NNc1nccc2sccc12)c1ccc2c(c1)CCO2 917545688 XEDAJUKKAJNNOU-UHFFFAOYSA-N 295.367 3.677 30 20 CHED C=CCOc1cccc(NC(=O)/C=C\c2ccsc2)c1 919872782 AGZRHLBUFUVATC-SREVYHEPSA-N 285.368 3.965 30 20 CHED COc1ccccc1C(C)=NN[C@H](C)c1ccccc1 920385842 IKSWOEOHGDLEEC-CYBMUJFWSA-N 268.360 3.770 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cc3ccccc3[nH]2)CC1 924984927 YSMAHQRQGAZJKW-HNNXBMFYSA-N 297.446 3.859 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)OC2CCCCC2)c1 1116064865 PPBQXOROBVPRRN-HNNXBMFYSA-N 299.414 3.759 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)CC#Cc1ccccc1 1116270232 JOOXYLDQTJDDCN-WMZOPIPTSA-N 283.415 3.761 30 20 CHED N#CCc1cccc(NCC2(Cc3ccc(F)cc3)CC2)n1 1116636765 XJUUMQYOJATKAZ-UHFFFAOYSA-N 295.361 3.722 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C#N)ccc1C 1125781431 PIWPABMWZPCOHL-KRWDZBQOSA-N 292.382 3.618 30 20 CHED C[C@H]1Cc2cc(Nc3nc(C#N)c(Cl)s3)ccc2O1 1164265771 YUQYJXIVMRTJDZ-ZETCQYMHSA-N 291.763 3.735 30 20 CHED Cc1ccccc1NC(=O)Nc1cc(C#N)ccc1F 1202186135 XBMRDOHTVWNGTM-UHFFFAOYSA-N 269.279 3.650 30 20 CHED CC(C)OC(=O)O[C@H](C)Sc1cccc(F)c1C#N 1261597161 QHTBQGNKFHLAHG-VIFPVBQESA-N 283.324 3.697 30 20 CHED C[C@H](OC(=O)[C@@H]1CC2CCC1CC2)c1ccc(C#N)cc1 1265620315 GNVMSFAOIBZJDG-ZJOIDMRUSA-N 283.371 3.989 30 20 CHED Cn1cc(CSc2ccc(C#N)cc2)c(C(F)F)n1 1321268816 FLMSCRWBBQSXJB-UHFFFAOYSA-N 279.315 3.522 30 20 CHED CC(C)Cc1nnc(CSCc2ccc(C#N)cc2)o1 1322290307 WTNHBDWTGMVYEI-UHFFFAOYSA-N 287.388 3.573 30 20 CHED CC(C)(C)c1ccc(NN=C[C@H]2C[C@H]2c2ccccc2)nn1 1322999881 WJYILKIFENWDIY-CABCVRRESA-N 294.402 3.976 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)CC#Cc1ccccc1 1323858097 WKHSYHPGPRQNJY-UHFFFAOYSA-N 289.378 3.716 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](C)c1cc2ccccc2o1 1323974978 NLNZMMOVCJPLLX-CYBMUJFWSA-N 296.370 3.549 30 20 CHED CCn1nnc(C)c1CSCCCCC1(C#N)CCC1 1335237871 DDISRZHAUFWTHD-UHFFFAOYSA-N 292.452 3.704 30 20 CHED CC(C)(C)ON=C1CCC(NC(=O)OC(C)(C)C)CC1 1336227950 KXBZWHWRXHANKJ-UHFFFAOYSA-N 284.400 3.625 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCC[C@H]1CCC 1340531516 QJZWEGCZRYIJTM-CHWSQXEVSA-N 294.468 3.657 30 20 CHED Cc1cc(C)c2cc(C(=O)O[C@@H](C#N)C(C)C)sc2n1 1344435482 FHMOXRYVYKDXID-LBPRGKRZSA-N 288.372 3.618 30 20 CHED C[C@H]1CCCC[C@@H]1c1nnc(COc2ccc(C#N)cc2)o1 1346638424 JAZHMEGZIMYXNA-WFASDCNBSA-N 297.358 3.814 30 20 CHED N#CC1(COC(=O)c2ccc3scnc3c2)CCCC1 1347886630 ZFYBDYDTUSLYGM-UHFFFAOYSA-N 286.356 3.537 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1cnc(Cl)cc1C#N 1349666396 BZLSWNKONKOSNA-CMPLNLGQSA-N 291.782 3.762 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@H](CC#N)c2ccccc2)CC1 1435929165 UVWDIAVLTQUTEB-HYVNUMGLSA-N 284.403 3.769 30 20 CHED CCC1(CNc2ncc(C#N)cc2Br)CCC1 1458235379 XSGDGRWFDJVOOJ-UHFFFAOYSA-N 294.196 3.708 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cc1F)c1ccccn1 1461950614 FVDLDKFPQWVMHT-UHFFFAOYSA-N 297.333 3.539 30 20 CHED C[C@H](OC(=O)C(C)(C)C(F)(F)F)c1cccc(C#N)c1 1516898110 CBGVJTHNURMXMH-VIFPVBQESA-N 285.265 3.751 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1524153509 WKTFQQYRXHYMEK-ISWURRPUSA-N 283.371 3.784 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)c1ccccc1F 1524902399 PNSCKTCNDMMCQR-UHFFFAOYSA-N 286.281 3.503 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(F)c1 1529667313 WOGQSRWNEBDLFX-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C 1530862790 UGVMONYWKAHIDP-XEZPLFJOSA-N 284.403 3.669 30 20 CHED Cc1ccc(CC(=O)O[C@H]2CCC[C@H](C#N)C2)cc1Cl 1535479429 RFVKGXLUPLQAKF-KBPBESRZSA-N 291.778 3.817 30 20 CHED C[C@H]1C[C@@H](CCNc2cncc(C#N)n2)CC(C)(C)C1 1559179957 PAIMUFAYZHPAJM-QWHCGFSZSA-N 272.396 3.613 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C)c1ccccc1 1564052496 SWZJMHMACIDLAW-JJRVBVJISA-N 286.419 3.824 30 20 CHED CCCC1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1566174636 ITNDIARXPIQADK-SFHVURJKSA-N 298.430 3.798 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(C3CC3)c2)cc1F 1584264147 JIJFDVQDVHOSRZ-UHFFFAOYSA-N 280.302 3.827 30 20 CHED N#Cc1cc(NC(=O)c2ccc(C3CC3)cc2)c(F)cc1F 1595653147 PSELXJUGYUGWLB-UHFFFAOYSA-N 298.292 3.966 30 20 CHED CCCSc1cccc(N[C@@H]2CC[C@@H](C#N)C2)n1 1621474420 VDGKPMYDVSMUBQ-VXGBXAGGSA-N 261.394 3.688 30 20 CHED CC(C)[C@H]1CN(c2ncc(C#N)cc2F)c2ccccc21 1639868665 XQMBPCJYQBAOMC-CQSZACIVSA-N 281.334 3.984 30 20 CHED CCS[C@H]1CCCCN(CCc2ccc(C#N)cc2)C1 1644583984 JOUUXVYKTMFTPX-KRWDZBQOSA-N 288.460 3.708 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccc(F)c(F)c1 1645901561 YWIKYBQGRRVSCU-UHFFFAOYSA-N 284.309 3.789 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2ncc(C#N)cc2F)c1 1650796190 RPVMMKMJNAYITK-CYBMUJFWSA-N 283.350 3.752 30 20 CHED N#Cc1c[nH]ccc1=NCC1(c2ccc(Cl)cc2)CCC1 1655087319 ZIIDRWTVRHTNJL-UHFFFAOYSA-N 297.789 3.562 30 20 CHED Cc1cc(N[C@H]2CCCc3ccc(F)cc32)ncc1C#N 1655451035 SFNRVOXLYRKITO-INIZCTEOSA-N 281.334 3.890 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2ccc(Cl)cc2)c1 1678408436 OGXODJNAUPZKQX-UHFFFAOYSA-N 299.761 3.842 30 20 CHED O=C(O)c1ccccc1NN=Cc1cccc2ccoc12 1776030476 DDJJCCVNLBOJAF-UHFFFAOYSA-N 280.283 3.577 30 20 CHED Cc1cc(C=NNc2cccc(C(=O)O)c2)ccc1Cl 1776037080 SJDQCRBBNYFCCP-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CCCC[C@H](CC)CC(CC)=NN[C@H](CC)C(=O)O 1776067422 ADIVOAXEDFCYFU-GXTWGEPZSA-N 270.417 3.812 30 20 CHED Cc1cccc2c1CCC2=NNc1ccc(C(=O)O)c(F)c1 1776074261 QSTHBITUZYOBHE-UHFFFAOYSA-N 298.317 3.595 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)c1ccc(N)cc1 1776088649 AEHRUUSYZOWHIZ-UHFFFAOYSA-N 297.358 3.502 30 20 CHED CC(CCc1cccnc1)=NNc1cccc(C(=O)O)c1C 1776088697 CSHZVLLKJNUMMY-UHFFFAOYSA-N 297.358 3.509 30 20 CHED C=C(C)C[C@@H](NCc1ccc([C@@H](C)CC)cc1)C(=O)O 1776137600 XTLBSDHOMHRHEB-XJKSGUPXSA-N 275.392 3.709 30 20 CHED CN(CCC#N)C(=O)Nc1ccccc1Oc1ccccc1 8204309 IRDGLLFAVCHSOZ-UHFFFAOYSA-N 295.342 3.856 30 20 CHED C[C@@H](N[C@@H]1CCc2ccccc2C1)c1cccc(C#N)c1 51630976 BTDBHLDTINNJQI-AUUYWEPGSA-N 276.383 3.766 30 20 CHED N#Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)nc1 51953202 SXSBGMGHZLPUEQ-UHFFFAOYSA-N 297.383 3.536 30 20 CHED C[C@H]1C[C@@H](C)CN(c2ccc(Br)cc2C#N)C1 227634947 BHCUPGPJYJJTQJ-PHIMTYICSA-N 293.208 3.803 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(-n2nc(C)cc2C)cc1 57157975 IEEJICCXGWEVJJ-UHFFFAOYSA-N 297.402 3.527 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(Cl)ccn2)C(C)C)c1 102909098 KEXSEPBXPOEYNC-UHFFFAOYSA-N 298.773 3.772 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1OCC1CC1 177883639 OWBWJTYGJOXADI-UHFFFAOYSA-N 277.339 3.909 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c(C#N)c2)C1 345074123 JXIFHRVUOIWODZ-NXEZZACHSA-N 262.740 3.586 30 20 CHED CCCCCCCCC/N=C(\N)Nc1ccccn1 170908560 YQYOPNYTASPALH-UHFFFAOYSA-N 262.401 3.559 30 20 CHED C[C@H](Oc1ccccc1)C(=O)O[C@H](C)c1ccc(C#N)cc1 175752724 KUZSEELRTKJUGZ-KGLIPLIRSA-N 295.338 3.630 30 20 CHED C#CCCCN[C@H]1CCc2c(F)ccc(Br)c21 179319341 WSYYXPIVXGDZQK-ZDUSSCGKSA-N 296.183 3.579 30 20 CHED CC(C)(C)[C@@H]1CCN(c2nc(Cl)c(C#N)s2)C1 310565211 XGCUBJPDLBIPSF-MRVPVSSYSA-N 269.801 3.541 30 20 CHED CC[C@H](C#N)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 179247044 DOLIZRVRWUZZDM-CQSZACIVSA-N 290.794 3.570 30 20 CHED CCN(CC)[C@@H](CNCC(C)(C)CCC#N)c1ccco1 174321277 HPCQIWNDPJLUGR-HNNXBMFYSA-N 291.439 3.582 30 20 CHED CC(C)(NCc1cc(C#N)cs1)c1ccccc1 310758563 KOLRSWWTGOPODG-UHFFFAOYSA-N 256.374 3.645 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccc(C)s1 110426320 NAULTLGZBBQSQM-UHFFFAOYSA-N 287.384 3.551 30 20 CHED C=CCNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 117955207 BJXDDZGYPFJSIR-QMMMGPOBSA-N 273.163 3.540 30 20 CHED N#C[C@H](C(=O)c1ccc(OC2CCC2)cc1)c1ccccn1 76823993 SEAVBNGHUFPGKB-INIZCTEOSA-N 292.338 3.503 30 20 CHED C[C@@H](c1cccs1)N(C)c1ccc(Cl)c(C#N)n1 301554446 WGQBKKZDOAYLQL-VIFPVBQESA-N 277.780 3.866 30 20 CHED C=CCOc1ccc(Oc2cc(C#N)ccc2[N+](=O)[O-])cc1 302227325 WTPYICMGFJCBHM-UHFFFAOYSA-N 296.282 3.824 30 20 CHED C=CCCN(C)Cc1cc(Cl)ccc1OC(F)F 467283749 LGWDLHRHOIGBRX-UHFFFAOYSA-N 275.726 3.949 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)c2cnccn2)cc1 115962710 GFYDJMCYZLSLEM-RMKNXTFCSA-N 266.344 3.670 30 20 CHED CC[C@@H](C)NC(=O)[C@@H](Sc1ccccc1C#N)C(C)C 173710544 PIZLRHYHBLDBCK-DOMZBBRYSA-N 290.432 3.590 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(c2ncc(C#N)cc2Cl)C1 302134239 LQTYNGOVZMTBTK-IAQYHMDHSA-N 298.777 3.589 30 20 CHED CC(C)(C#N)CCSc1nc2ncc(Cl)cc2[nH]1 78924160 IIHZMEQGNJKRPS-UHFFFAOYSA-N 280.784 3.643 30 20 CHED Cc1cc2occ(CC(=O)O[C@H]3CC[C@@H](C#N)C3)c2cc1C 179985840 OZGAVCRQCBBMOQ-HIFRSBDPSA-N 297.354 3.828 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCc2[nH]ncc2C1 114410594 SQPDLRFCEUTUQE-OAHLLOKOSA-N 291.439 3.524 30 20 CHED C=CCCCN[C@@H](C)c1cc(OC)c(OC)cc1C 179628505 ORPCRQUHJVKDKU-ZDUSSCGKSA-N 263.381 3.629 30 20 CHED CN(C[C@H]1CCCCO1)c1cc(C#N)ccc1C(F)(F)F 301717738 LADKGOKSBZFHLZ-GFCCVEGCSA-N 298.308 3.582 30 20 CHED C=CCCCC(=O)Oc1c(Br)cccc1OC 178359353 WDVQAXWOLQYXRY-UHFFFAOYSA-N 299.164 3.719 30 20 CHED C=CC1CCN(c2nnc(Cc3ccccc3)s2)CC1 302092558 QEQJQZOXHVIVEW-UHFFFAOYSA-N 285.416 3.531 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1c1cccc(OC)c1 175178184 NWWIBLIMRVJRPU-INIZCTEOSA-N 273.376 3.715 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C/c2ccnn2C)cc1 170852172 VCRLDAXMDWDRNW-RMKNXTFCSA-N 286.400 3.817 30 20 CHED C=CC1CCN(C(=O)N[C@H](CC)c2nc(C)cs2)CC1 111858787 GIHSEIBKMAEBDN-CYBMUJFWSA-N 293.436 3.510 30 20 CHED Cc1csc(CCCN[C@@H](C)c2ccc(C#N)cc2)n1 174040035 LTUTWWUZBVGICH-ZDUSSCGKSA-N 285.416 3.607 30 20 CHED Cc1ccccc1[C@H](Nc1ccc(C#N)nn1)C(C)(C)C 301951929 JFJSUSGFOLGNLR-INIZCTEOSA-N 280.375 3.856 30 20 CHED Cc1nc(CC(C)C)c(C(=O)[C@H](C#N)c2ccccn2)s1 119954913 DYNLWHVGSPBNRT-GFCCVEGCSA-N 299.399 3.535 30 20 CHED C=CCCSCc1nc([C@@H](C)OCC(C)C)no1 174252671 ITPUHRITDZRDIJ-LLVKDONJSA-N 270.398 3.613 30 20 CHED C=CCCCC(=O)N(C)[C@@H](C)c1sc(CC)nc1C 175763072 XWRZRHQDBZFPFX-LBPRGKRZSA-N 280.437 3.890 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc(C(C)C)s1 426554075 SZRAMTWIDQWGAO-GFCCVEGCSA-N 250.411 3.807 30 20 CHED CSC1CCN(c2cc(Cl)ccc2C#N)CC1 302291269 HPWSOTONHOWVKD-UHFFFAOYSA-N 266.797 3.543 30 20 CHED CC(C)[C@@H](CNCc1cc(C#N)cs1)Nc1ccccc1 177697923 XMPYSCJCBKQEKV-QGZVFWFLSA-N 299.443 3.846 30 20 CHED CN(CCc1ccccc1)c1c(C#N)cnc2ccccc12 301361306 QFBGYSYVOOZKQZ-UHFFFAOYSA-N 287.366 3.785 30 20 CHED C=CCCCC(=O)N(C)c1ccc(F)c(Cl)c1 180227745 DBVCBFOLISPZLW-UHFFFAOYSA-N 255.720 3.798 30 20 CHED CC(C)c1cnc(CN(C)Cc2ccc(C#N)cc2)s1 182987529 WQCXVEHQFPOHCK-UHFFFAOYSA-N 285.416 3.770 30 20 CHED O=C(/C=C/c1cnc(-c2cccs2)s1)c1cnccn1 177615601 GMUKARCKGRLYBL-ONEGZZNKSA-N 299.380 3.558 30 20 CHED C#CCCCOC(=O)c1cccc(-c2nc(C)cs2)c1 124237658 QHTDDSUYGIISFD-UHFFFAOYSA-N 285.368 3.689 30 20 CHED CC(C)(C)N1CCC(Nc2cc(Cl)ccc2C#N)CC1 122655448 ZWWXCEROULKQDL-UHFFFAOYSA-N 291.826 3.886 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1C(F)(F)F 302551876 KEYYFGGIFCSOTP-IACUBPJLSA-N 296.292 3.556 30 20 CHED N#C[C@@H]1CCC[C@H](NCCSCc2ccccc2F)C1 185752847 WUTUAJMLYSUEES-HIFRSBDPSA-N 292.423 3.731 30 20 CHED C=CCC[C@@H](NCc1cncn1CC)c1ccccc1 417941565 ARZLSFVPGXXEOW-QGZVFWFLSA-N 269.392 3.700 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1OCC1CC1 181745712 MGURDRWGIXDLKA-UHFFFAOYSA-N 274.364 3.515 30 20 CHED Cc1cc(OCc2ccc(C#N)cc2Cl)ccc1C#N 434650941 SZZVNMWRWLQOMT-UHFFFAOYSA-N 282.730 3.971 30 20 CHED N#CCSCC(=O)Nc1ccccc1Nc1ccccc1 180802618 YNBKVHWOGUNSDI-UHFFFAOYSA-N 297.383 3.625 30 20 CHED C=C(C)[C@H](N[C@@H]1CCSC1)c1ccc(F)c(F)c1 186453224 VIOCRRAMJVMORM-RISCZKNCSA-N 269.360 3.677 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)C1CC1 121159810 DCVNWKMCYUHXNX-BLLLJJGKSA-N 287.407 3.573 30 20 CHED N#Cc1ncc(NC(=O)[C@H]2CC23CCCCC3)cc1Cl 411034924 SYKWZYZRVRRMQA-LLVKDONJSA-N 289.766 3.516 30 20 CHED COc1ccc(NCc2ccc(C#N)s2)c2cccnc12 121402974 WXCJPZFZTSROOV-UHFFFAOYSA-N 295.367 3.789 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(-c2nc(C)no2)cc1 182593932 NIVMPZJYFDKYMR-GFCCVEGCSA-N 299.374 3.520 30 20 CHED C=CCCCCCCN[C@H]1CCC12CCOCC2 367895424 IQZQIJQPPZSTCO-HNNXBMFYSA-N 251.414 3.672 30 20 CHED COc1cc(C#N)ccc1OCCC1(C#N)CCCCC1 418810689 UXOLYIQMPCXFLP-UHFFFAOYSA-N 284.359 3.810 30 20 CHED Cc1c2c(nc3cc(F)ccc13)CC[C@@](C)(C#N)C2 416394276 WWNOOYNYSVNPCX-MRXNPFEDSA-N 254.308 3.701 30 20 CHED C=CC(C)(C)C(=O)NCc1cc(C)ccc1Br 412648632 YIOPEAVSFWTILX-UHFFFAOYSA-N 296.208 3.586 30 20 CHED C=CC[C@@H](C)NCc1ccc(Br)c(C)c1 128708407 BUPNHMLBYHZUTF-LLVKDONJSA-N 268.198 3.812 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CC[C@H](C)SC 412838747 KKYQZXRSQFSDRP-GOEBONIOSA-N 291.460 3.822 30 20 CHED C=CCCSCc1cnc2c(cnn2C(C)C)c1 419425838 PTPFPKKHRJNVAY-UHFFFAOYSA-N 261.394 3.822 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1ccc(O)cc1 33472143 LTRTUNXINRJKRW-YFHOEESVSA-N 290.265 3.890 30 20 CHED C#Cc1cccc(NC(=O)N(Cc2ccccc2)C2CC2)c1 76097293 XSAZNACQPMBELF-UHFFFAOYSA-N 290.366 3.864 30 20 CHED CCC1(C)CCN(C(=O)CCc2ccc(C#N)cc2)CC1 504857402 KVRTVWLSTPTJTF-UHFFFAOYSA-N 284.403 3.530 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C/c1cccs1 189904914 JTJTYQVYGCXKQV-CMDGGOBGSA-N 276.405 3.692 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)c1ccc(Cl)s1 180478065 ZHHXJRKRUBARJP-VIFPVBQESA-N 257.786 3.540 30 20 CHED CCCOc1ccc(C(F)(F)F)cc1N[C@H](C)C#N 78369078 VVIPRRIDMXHMCR-SECBINFHSA-N 272.270 3.818 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 48578932 AJIPZISSQVFNLQ-LZCJLJQNSA-N 277.276 3.692 30 20 CHED Cc1nc(Sc2cccc(F)c2C#N)sc1C 78447389 TYGVQHJIMHIFRH-UHFFFAOYSA-N 264.350 3.922 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(C(C)C)no1 412847383 YFAIIBGFOOPLAI-OAHLLOKOSA-N 298.386 3.715 30 20 CHED C=CCC1(C(=O)Nc2cnn(-c3ccccc3)c2C)CCC1 189606551 UOGWCRCOZCIFDQ-UHFFFAOYSA-N 295.386 3.866 30 20 CHED C=CCc1ccccc1OCc1nnc(C(C)C)o1 131636616 RCUDUWCLHVCGDZ-UHFFFAOYSA-N 258.321 3.501 30 20 CHED CC(C)[C@H](SCCC#N)C(=O)Nc1ccccc1Cl 413016469 VYAXODHFEVXISJ-ZDUSSCGKSA-N 296.823 3.950 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(CC#N)c1 42392572 XPQMODNTIFNVOD-AWEZNQCLSA-N 278.355 3.586 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H]2CCC[C@H]2C)c1 503053193 UOLXPMMBLFAFOG-CJNGLKHVSA-N 288.391 3.952 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ccc(C)nc1 414528904 BNFOVOCJDOUCAC-SFHVURJKSA-N 266.388 3.667 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 412161994 KUSYZVQYUHMURR-HNNXBMFYSA-N 285.387 3.532 30 20 CHED C=C(C)CCN1CCC(CCN(CC)CC2CC2)CC1 508990196 FJAJUBUQNMYFMQ-UHFFFAOYSA-N 278.484 3.787 30 20 CHED Cc1cccc(/C=C2/COc3c(F)cc(F)cc3C2=O)c1 195651276 GVBQFHGLWWSSNT-SDQBBNPISA-N 286.277 3.932 30 20 CHED CCCCCCCCC(=O)N1CCC(CC)(CO)CC1 134680951 CGPNJHFEIVFERY-UHFFFAOYSA-N 283.456 3.748 30 20 CHED COc1ccc(C#N)cc1COc1ccc(C#N)c(Cl)c1 190250862 YZTDBECFHGHKTK-UHFFFAOYSA-N 298.729 3.671 30 20 CHED CCCCCCC[S@@](=O)Cc1c(C)nn(C)c1Cl 133387656 FEAABECSFIEENM-SFHVURJKSA-N 290.860 3.601 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(C)c(C)c2)n1 41519700 ZRGZZVNFIFSHHS-CYBMUJFWSA-N 270.357 3.558 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)[C@H]1CCc2ccccc21 191930710 LIAXPCLYWXCOFO-SFHVURJKSA-N 280.346 3.817 30 20 CHED CC1(C)CC[C@@H](/N=C(/O)Nc2ccc3c(c2)COC3)C1 329060109 JHWGBZYFIVNMNI-CQSZACIVSA-N 274.364 3.621 30 20 CHED OC[C@@H]1CCC[C@H](C/N=C(/O)[C@@H]2CC3CCC2CC3)C1 328584649 BRQJNNBQDXVHIL-JXLIZBIESA-N 279.424 3.568 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccc(OC)cc2)no1 424226572 XXPPPLPYWORRSD-UHFFFAOYSA-N 272.348 3.523 30 20 CHED CCC(CC)SCC(=O)Nc1ccc(CC#N)cc1 131819729 JCLINXMGWFJCMO-UHFFFAOYSA-N 276.405 3.613 30 20 CHED C=C(CNC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccccc1 512662468 XPUWWRJJVRTYKW-IAGOWNOFSA-N 284.403 3.674 30 20 CHED C#CCCCC(=O)Nc1cc(C(C)(C)C)sc1C#N 190507627 FBBXEXBGDFIZSU-UHFFFAOYSA-N 274.389 3.659 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(-c2ccncc2)cc1 424686184 PREUARJBDDROOP-UHFFFAOYSA-N 294.398 3.967 30 20 CHED N#Cc1cccc(C[S@@](=O)c2cc(Cl)ccc2F)c1 334376858 WFLUNSJQLRWRMW-LJQANCHMSA-N 293.750 3.659 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NC[C@@H](C#N)CCC#N 516452857 BOECJUYRORNONM-JKSUJKDBSA-N 283.419 3.776 30 20 CHED CC[C@@H](C#N)OC(=O)CCc1ccc2ccccc2c1 84697249 RGEVZIBWUJARGA-INIZCTEOSA-N 267.328 3.618 30 20 CHED CC(C)(C)c1csc(N=C(O)[C@H]2CCCOCC2)n1 330255833 KFMUIDPWAPXRCL-JTQLQIEISA-N 282.409 3.845 30 20 CHED CC(C)(CC#N)CNC(=O)N1CC2(CCC2)c2ccccc21 335588383 GOXURMJTKGBFMI-UHFFFAOYSA-N 297.402 3.578 30 20 CHED COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)ccc1C 193132951 QRLYGJPFKGALDK-BQYQJAHWSA-N 284.359 3.677 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cccc(C)c2Cl)c1 179047181 SNWRINPAXYMQKT-UHFFFAOYSA-N 283.758 3.906 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 192386214 AWPKFQAOROEMKW-INIZCTEOSA-N 293.357 3.972 30 20 CHED CCC[C@@H](CC)NC(=O)Nc1cc(C#N)ccc1C 194583170 VUBSCICXDXDDKI-CYBMUJFWSA-N 259.353 3.567 30 20 CHED CC[C@@H](C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425115503 UFAJXKSKEPOEPZ-CHWSQXEVSA-N 258.365 3.514 30 20 CHED C=CCC(C)(C)c1nc(Cc2cccc(C)c2)no1 426452493 WKJMIHACBBSJEY-UHFFFAOYSA-N 256.349 3.823 30 20 CHED CCN(CC#N)Cc1ccccc1OCc1ccccc1 92398935 IBKPUDJVDBHWAM-UHFFFAOYSA-N 280.371 3.611 30 20 CHED Cc1cc(Oc2snc(Cl)c2C#N)ccc1F 92685599 HOIFRUQXVHPBKZ-UHFFFAOYSA-N 268.700 3.908 30 20 CHED Cc1c(NC(=O)[C@@H]2CC23CCCCC3)ccc(C#N)c1C#N 519135788 DCNIILUDUCRSRN-HNNXBMFYSA-N 293.370 3.647 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCCC[C@@H]2C)c1 518248864 XLTIQQAXSQLKFX-WMLDXEAASA-N 259.393 3.920 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@@]2(C)c2ccccc2)C1 333590494 SQWGOHINXQEICY-OYSPMZIOSA-N 296.414 3.553 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC2(CCC2)C[C@H]1C 336350937 DFKCLJSHMDGPJJ-GFCCVEGCSA-N 283.375 3.663 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(-c3nccs3)c2)C1 335381726 ZADPTDSJEOVJCN-BXUZGUMPSA-N 269.373 3.914 30 20 CHED Cc1cc(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c(C#N)cn1 425224103 CULJCEAFCJWZND-DZGCQCFKSA-N 295.361 3.783 30 20 CHED C[C@@H](N[C@@H]1COCc2ccccc21)c1ccc(C#N)c(F)c1 335305029 VPSODSDXFPUNQM-KZULUSFZSA-N 296.345 3.619 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 98008538 CNWBJWVNKCIBFJ-DAXSKMNVSA-N 289.237 3.769 30 20 CHED Cc1sc(NC(=O)[C@@H]2CCC(F)(F)C2)c(C#N)c1C 335707800 RQCYANRARNQEPV-SECBINFHSA-N 284.331 3.611 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCc3c(C)cccc32)n1 517092699 OHELGADDDYHJFQ-QGZVFWFLSA-N 277.371 3.978 30 20 CHED C[C@@H](CSC(C)(C)C)NCc1ccc(OCC#N)cc1 180547641 YEHGVYXEEAWZPX-ZDUSSCGKSA-N 292.448 3.599 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2ccccc2C#N)C1 335669985 MCNVBGVPXIAHAY-KBXCAEBGSA-N 277.371 3.536 30 20 CHED N#CCCN(Cc1ccco1)Cc1ccc(C#N)cc1Cl 439448111 ZTPPAZXXFKNFLH-UHFFFAOYSA-N 299.761 3.721 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ccc(C)s1 521321996 SGBJASOORFPUEY-LBPRGKRZSA-N 265.422 3.850 30 20 CHED COc1ccc(C#N)cc1CN1CCc2ccccc2[C@@H]1C 437574168 DXTJJVHRNORSCL-AWEZNQCLSA-N 292.382 3.686 30 20 CHED CC1(C)CCC(c2noc(-c3ccc(C#N)nc3)n2)CC1 347483838 ICGBIVDARQIXNJ-UHFFFAOYSA-N 282.347 3.687 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)CCc1ccccc1 527891665 CIPBNEAMTXYZBL-OTWHNJEPSA-N 287.447 3.969 30 20 CHED C=CCCC(=O)N(Cc1ccccc1F)CC(C)C 523224240 TYSBBGSFSUZSNQ-UHFFFAOYSA-N 263.356 3.777 30 20 CHED C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(C#N)oc1C 437181106 PJHAFWQZVHHLLP-UKTHLTGXSA-N 294.354 3.635 30 20 CHED C=CCCN(C)Cc1ccc(CN(C)CCC=C)cc1 342730264 JFWRHNRJWZRMSX-UHFFFAOYSA-N 272.436 3.702 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2c(s1)CC[C@H](C)C2 523968529 ZIUROQHWUQQBQX-QWRGUYRKSA-N 263.406 3.567 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(C#N)c2)C1 343620308 GTXNXERWMRRALM-KDOFPFPSSA-N 290.366 3.782 30 20 CHED CC[C@H](NC(=O)CCc1ccc(C#N)cc1)C1CCCCC1 604564147 YLDJCCPKZAEBDU-SFHVURJKSA-N 298.430 3.966 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccsc1 255886986 YVJVFPBXQWPXGH-IWQZZHSRSA-N 256.326 3.579 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccccc1C 341111558 PQAZFBCZMHCXHM-UHFFFAOYSA-N 283.346 3.963 30 20 CHED Cc1ccccc1C[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 603869285 GPRYEDNMZUDJFU-ZDUSSCGKSA-N 295.342 3.818 30 20 CHED CC(C)CCN(CCC#N)C(=O)Cc1ccc(Cl)cc1 349399243 IYGCBCKQZQQODK-UHFFFAOYSA-N 292.810 3.671 30 20 CHED N#Cc1cccc(NCCOc2ccc3ccccc3c2)n1 609890593 CTODDYLETMOPLK-UHFFFAOYSA-N 289.338 3.597 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1[N+](=O)[O-] 255078241 NNJWVNPNURWJBN-XQRVVYSFSA-N 298.323 3.733 30 20 CHED C[C@@H](CCC#N)CN1Cc2cccc(Br)c2C1 602620373 VVJOOEJSQFQBGL-NSHDSACASA-N 293.208 3.705 30 20 CHED Cc1sc2nc(SCCCCC#N)nc(N)c2c1C 345094418 KSUMPKULZCBGSA-UHFFFAOYSA-N 292.433 3.676 30 20 CHED C=CCN(CC=C)Cc1nc2cc(C)ccc2s1 528351394 PDSBGJKRTTUJOE-UHFFFAOYSA-N 258.390 3.779 30 20 CHED C=CCC[C@H](NCCC1(O)CCC1)c1ccccc1 342809057 GKOPBCXCNPFZCM-INIZCTEOSA-N 259.393 3.589 30 20 CHED Cc1cc(OCC(=O)Cc2ccccc2Cl)ccc1C#N 443474624 ODYSWPDUBBCABR-UHFFFAOYSA-N 299.757 3.711 30 20 CHED C=CC1CCN(C(=O)c2ccc(C)c3c2CCC3)CC1 448957981 VENJYUVEDQOQEI-UHFFFAOYSA-N 269.388 3.522 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)C[C@H](C)CCC#N)C1 602485094 PYBKSFFHKSMSRJ-MGPQQGTHSA-N 254.443 3.532 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccccc2C#N)s1 255283099 CQRMCPIJAIIZIW-FPLPWBNLSA-N 253.326 3.824 30 20 CHED CCN(Cc1ccc(C#N)cc1C)[C@H](C)C(F)(F)F 602990180 MHXVJZLASLNKID-LLVKDONJSA-N 270.298 3.639 30 20 CHED CCN(Cc1ccc(C#N)c(OC)c1)Cc1ccccc1C 442805636 ALJWGWWJSKKOEB-UHFFFAOYSA-N 294.398 3.897 30 20 CHED CCc1cccc2c(CCNC[C@H](C)CCC#N)c[nH]c12 602555033 GBJRWNWKKVGHTD-CQSZACIVSA-N 283.419 3.802 30 20 CHED CCCN(CCC)C(=O)C[C@H](CC#N)c1ccccc1 353316074 ULPYRDACXHKOBH-INIZCTEOSA-N 272.392 3.723 30 20 CHED CC[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 604498993 FDCCDLVHMSIUSJ-AWEZNQCLSA-N 287.407 3.524 30 20 CHED CC(C)CN(C(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1ccc(C#N)cc1 448820850 FTXMOGYCEGPQBH-BQFCYCMXSA-N 296.414 3.983 30 20 CHED N#Cc1ccc(NC(=O)C2CC(c3cccc(F)c3)C2)cc1 604547792 PIKFBGDLPFLJPA-UHFFFAOYSA-N 294.329 3.830 30 20 CHED CCN(CCCNC1CCC(C)(C#N)CC1)c1ccccc1 449067698 NQGSLRHWQKVSKY-UHFFFAOYSA-N 299.462 3.965 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1F)C1CC1 357399759 DHXVUKLANHBJDP-UHFFFAOYSA-N 268.719 3.661 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1cc(C)ccc1Cl)C1CC1 537932703 UGVITQIHGUVLCZ-LBPRGKRZSA-N 293.794 3.593 30 20 CHED C=C(C)CN1CCC(NCc2ccsc2Cl)CC1 359744681 ZFEUVTXXYZIIGA-UHFFFAOYSA-N 284.856 3.532 30 20 CHED C=CC[C@@H](CC)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] 440646226 KKRTWHDYDBDGTL-GFCCVEGCSA-N 262.309 3.564 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1ccc(C)cc1C 539431173 WYZONNPHCCDXNJ-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C=CCCC(=O)N[C@H](CC)c1ccccc1OC(F)F 263700556 UFPDCIOAMYQDQM-GFCCVEGCSA-N 283.318 3.822 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](C)C1 444134557 AKOHKIFJQZGWOE-WMLDXEAASA-N 299.418 3.668 30 20 CHED N#Cc1csc(CN[C@H]2CCc3ccc(F)cc32)c1 610488757 PREOHNKNTIXZRF-HNNXBMFYSA-N 272.348 3.536 30 20 CHED CC(C)n1ncc2cc(NCc3ccc(C#N)o3)ccc21 610910966 RCNNOSVCSXJTKI-UHFFFAOYSA-N 280.331 3.694 30 20 CHED N#CC[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccccc1 356302979 MTOJKXDPEPWBNI-KURKYZTESA-N 296.414 3.723 30 20 CHED Cc1cc(CNC[C@@H](C)Oc2ccc(F)cc2)ccc1C#N 444004973 UFZSPNMDIBWGFR-CQSZACIVSA-N 298.361 3.563 30 20 CHED N#CC1(CSc2nc(C3CC3)nn2-c2ccccc2)CC1 538657378 RYRCXQDELYLCTO-UHFFFAOYSA-N 296.399 3.541 30 20 CHED C=CCN(Cc1cnc(-c2ccc(C)o2)s1)C1CC1 350323134 VRHGGHUPROKYCM-UHFFFAOYSA-N 274.389 3.862 30 20 CHED Cc1ccccc1[C@@H](Nc1nccc(C#N)n1)C(C)(C)C 450374814 GDSWCNSXPBVSTR-OAHLLOKOSA-N 280.375 3.856 30 20 CHED C=CCn1c(S[C@@H](C)CC(C)C)nnc1C1CC1 450650853 OJTGDTCSHNQEKL-NSHDSACASA-N 265.426 3.868 30 20 CHED CCc1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1Cl 455414967 UEWCTQZBOQKQKI-UHFFFAOYSA-N 293.798 3.916 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)CSc1ccc(C#N)cc1 457224841 LTQHSSRLHHAPRV-LBPRGKRZSA-N 290.432 3.591 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 455304061 BQBITDZMANPDSF-CZUORRHYSA-N 290.382 3.884 30 20 CHED CC1(CNC(=O)Nc2ccc(CC#N)cc2Cl)CCC1 455699476 HIKUMZNFEINWQH-UHFFFAOYSA-N 291.782 3.718 30 20 CHED N#Cc1ccc(/C=C/c2nc([C@H]3CCCS3)no2)cc1 274063705 FBYHFQYSXCAJFL-SBDDDAINSA-N 283.356 3.680 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1nc2ccccn2c1C#N 542042876 OPQGEEFPTRTQQY-OAHLLOKOSA-N 288.354 3.614 30 20 CHED COCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccco1 272397169 DQQCHPYDGQVABB-CZUORRHYSA-N 284.359 3.580 30 20 CHED Cc1cc(Nc2c(C#N)nnc3ccccc23)ccc1F 610131216 XLDZNZLFCDKDIG-UHFFFAOYSA-N 278.290 3.693 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H](CC(C)(C)C)C1 457044004 HFCXKHPWYLKDOZ-CQSZACIVSA-N 284.403 3.765 30 20 CHED CC#CC(=O)Nc1ccccc1SC1CCCC1 277337471 GUYAYOYEXBIQTD-UHFFFAOYSA-N 259.374 3.683 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(CC(C)C)CC(C)C 451394674 SURAOUMAZYZJSX-DOTOQJQBSA-N 295.467 3.792 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1C[C@H]1C(C)C)c1ccccc1 456296510 JRNVFKOJKSMSCG-PVAVHDDUSA-N 271.404 3.755 30 20 CHED Cc1cc(C)cc(OCCCN(CCC#N)CC2CC2)c1 361445119 BTVCUBIQVKPXGL-UHFFFAOYSA-N 286.419 3.698 30 20 CHED CC(C)(C)c1ncc(COC(=O)C2(C#N)CCCC2)s1 278564818 WXQRFZDJIHTOTE-UHFFFAOYSA-N 292.404 3.568 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1N(C)C 453361324 AXCFVAHLKQCUHJ-CYBMUJFWSA-N 297.377 3.614 30 20 CHED CC[C@H](N[C@@H](CC)C(F)F)c1ccc(C#N)cc1 453251375 SYGZZSNFWUJOAR-STQMWFEESA-N 252.308 3.643 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1CSCC 279364071 SWYHOBCHWSOCKQ-UHFFFAOYSA-N 275.417 3.754 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(OC)c(Cl)c1 543998920 XRLJBXUKWBXAKA-GFCCVEGCSA-N 296.798 3.503 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc3[nH]ccc3c2)no1 273685371 IVBQBMNNMFNQNA-LLVKDONJSA-N 283.331 3.872 30 20 CHED C=CCCc1noc(-c2csc(CC(C)C)n2)n1 453228739 BXXHBCJZSVOHOI-UHFFFAOYSA-N 263.366 3.510 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 458041672 MHZJHJLXCZMDND-JKSUJKDBSA-N 284.403 3.626 30 20 CHED C=CC(C)(C)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 450490330 SMPIELRMXRCQTL-NSHDSACASA-N 275.396 3.882 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2c(F)cccc2OC(F)F)C1 274237571 VBGHOGTVNLEAGB-GHMZBOCLSA-N 298.308 3.599 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)NCCCC#N 273232156 PINDOBGKEHKIJG-UHFFFAOYSA-N 295.770 3.554 30 20 CHED CC#CCCCC(=O)N1CCCC[C@H]1Cc1ccccc1 464442463 DLECSKRWJUJQEO-SFHVURJKSA-N 283.415 3.804 30 20 CHED C=CC[C@H](CC)NCc1ccc(OCCC)c(OC)c1 466386750 RVLVJUMYANSCMA-HNNXBMFYSA-N 277.408 3.928 30 20 CHED N#CCC1CCN([C@H]2CCc3c(Cl)cccc32)CC1 543808168 ZGQDXECCQVBJIZ-INIZCTEOSA-N 274.795 3.953 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(F)c1Cl 274297090 FASGHPUCTGZZGH-CQSZACIVSA-N 282.746 3.537 30 20 CHED Cc1ccccc1[C@H](NCCCSCC#N)C1CC1 272077619 VVJGXFJTPHRSST-MRXNPFEDSA-N 274.433 3.683 30 20 CHED CC/C=C/CCOc1c(Cl)cc(C#N)cc1OC 469548616 BEKLLJQPOZDUHE-SNAWJCMRSA-N 265.740 3.955 30 20 CHED FC(F)(F)c1ccc(C#CCN[C@H]2C[C@H]3CC[C@H]2C3)cc1 540186428 BVYORGUVXSNJAR-DZKIICNBSA-N 293.332 3.835 30 20 CHED N#Cc1cccc(C(=O)N2CCC(C3CCCC3)CC2)c1 371112969 JCHVJRQUBDSHQI-UHFFFAOYSA-N 282.387 3.601 30 20 CHED N#Cc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 460492786 QYMSJGGTIBGQPF-UHFFFAOYSA-N 290.366 3.931 30 20 CHED C=CCC[C@H](NC[C@](C)(O)c1ccccc1)c1ccco1 286023307 JUYCULGOHILRSO-WMZOPIPTSA-N 285.387 3.784 30 20 CHED Cc1cc(NCCc2cccc(C#N)c2)c(F)cc1[N+](=O)[O-] 461954122 FDZJNUDJQBSPLT-UHFFFAOYSA-N 299.305 3.569 30 20 CHED CC[C@@H](N[C@H](C)CC#N)c1ccc(Br)cc1 379437031 HXOMMAWTKLRILE-ZWNOBZJWSA-N 281.197 3.792 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC=C(c2cccnc2)C1 289464596 YMVBQSLICSOFSB-HNNXBMFYSA-N 289.382 3.804 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)c1cccc(F)c1 281098443 PSUYXLLQGDYVCB-AWEZNQCLSA-N 263.356 3.574 30 20 CHED C=CCC[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccco1 285940338 DJCWYWHAQKNJRB-CABCVRRESA-N 275.392 3.978 30 20 CHED CC(C)CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 281021593 XPPQVWLXSLEIJG-UHFFFAOYSA-N 284.403 3.748 30 20 CHED N#Cc1cccc(CCN[C@@H](Cc2ccccc2)C2CC2)c1 467442583 NHNIBNMUSRWRRT-FQEVSTJZSA-N 290.410 3.712 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc2cc(OC)ccc2c1 286918219 KPHKUTAQIYPRAO-ZDUSSCGKSA-N 299.370 3.768 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3cccnc3c2)C1 633620025 ZAXDHHWFFPXMOY-AWEZNQCLSA-N 280.371 3.663 30 20 CHED C[C@@H](NCC1CCC(C#N)CC1)c1ccc(Cl)nc1 282240039 JAPOVGGTXUBYSV-PNESKVBLSA-N 277.799 3.716 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CCCCSC 282143213 OZYXRVMHEZLTQU-UHFFFAOYSA-N 277.389 3.559 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1OCC(C)C 468111543 VJVQTMAQPLUDCF-SFHVURJKSA-N 289.419 3.940 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(N(C)C)cc1C 281232749 DWOHKWLBRAYJDS-ZDUSSCGKSA-N 275.396 3.537 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2c(C)c(F)ccc2s1 285729111 QSJDKIMAYLYVSR-CQSZACIVSA-N 291.351 3.622 30 20 CHED C=CCC[C@@H](NC[C@@H](O)CC(C)(C)C)c1ccco1 552058282 AGJRWNKLBZCANX-UONOGXRCSA-N 265.397 3.674 30 20 CHED C=CCCCCNC(=O)C1(c2cc(C)cc(C)c2)CC1 471673470 HCMUVZBTOGXMDX-UHFFFAOYSA-N 271.404 3.808 30 20 CHED C=CCCCCN[C@H](C)CCc1ccccc1[N+](=O)[O-] 471613112 PNMSROJBLOWKDN-CQSZACIVSA-N 276.380 3.862 30 20 CHED COC(=O)c1cc(NCC(C)(C)CCC#N)c(C)cc1C 471806662 XPGJYPVMFJOVGD-UHFFFAOYSA-N 288.391 3.832 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1cc(C#N)ncn1)CCC2 559495500 QMYNIMXEXRRBGS-QGZVFWFLSA-N 292.386 3.961 30 20 CHED C#Cc1ccc(CNc2cccc3c2OCC[C@@H]3OC)cc1 809656955 PVEYRNQYWDRELK-SFHVURJKSA-N 293.366 3.750 30 20 CHED C[C@@H](SCC#Cc1ccc(F)cc1)C(=O)OC(C)(C)C 479705363 LOXYITVIAICRJC-GFCCVEGCSA-N 294.391 3.641 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(-c2nccs2)c1 806225266 JFEYNYDHDOXYGX-CYBMUJFWSA-N 299.399 3.734 30 20 CHED CSc1ccccc1[C@@H](C)OC(=O)c1ccc(C#N)[nH]1 800440510 BTHOUEGIPWXDAU-SNVBAGLBSA-N 286.356 3.526 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc(C)cc1Cl 802819590 ZKVQXQUXDWXDLM-AWEZNQCLSA-N 265.740 3.632 30 20 CHED CCOc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1 806579921 WDRLPYQVGXFDJF-XFXZXTDPSA-N 299.757 3.956 30 20 CHED CCCCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[C@H](C)C1 294291420 RWJBFJDETYMYJL-ZFWWWQNUSA-N 287.407 3.707 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)C(C)(F)F 293109709 GVCXVZPESJJQMA-SNVBAGLBSA-N 295.333 3.610 30 20 CHED CC1CC(C#N)(C(=O)O[C@@H]2CCc3c(Cl)cccc32)C1 803394313 BTQYEXBKMIWFSQ-XHYCCTMSSA-N 289.762 3.810 30 20 CHED CCCSCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 470200019 ITIXOUZXLDAPDT-UHFFFAOYSA-N 296.480 3.744 30 20 CHED C=CCCCCCCCCNC(=S)NC1CCOCC1 806598036 GCEGGAZAKXYJDE-UHFFFAOYSA-N 298.496 3.546 30 20 CHED C#C[C@H](NC1CCN([C@@H]2CCC[C@H](C)C2)CC1)C(C)(C)C 809781520 UJKITHYPYQUKHS-JQHSSLGASA-N 290.495 3.667 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)CCC)c1ccc(Cl)cc1F 804418555 PVWLUIHVQZZNFP-IINYFYTJSA-N 281.758 3.706 30 20 CHED C=CCOCCCN(CC)Cc1ccc(Cl)s1 470723753 RCUXYSPRYUOHNX-UHFFFAOYSA-N 273.829 3.816 30 20 CHED N#Cc1cc(F)ccc1COC(=O)[C@@H]1CCCC(F)(F)C1 800279312 INYBTLXVSQNTPY-SNVBAGLBSA-N 297.276 3.566 30 20 CHED C#CCCCN(Cc1ccc(OC)cc1)C(C)(C)C 808796019 ZSSPVHKVDKOYEI-UHFFFAOYSA-N 259.393 3.709 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccccc1 560593797 QGDCEIFGBIGYEL-ZDUSSCGKSA-N 293.370 3.732 30 20 CHED N#Cc1ccc(F)cc1COC(=O)[C@@H]1CCCC(F)(F)C1 800283682 VCLITLUZVPSHTB-SNVBAGLBSA-N 297.276 3.566 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1ccc(F)cc1Cl 565515215 BKIJLQSVTPQCAC-GOSISDBHSA-N 287.787 3.668 30 20 CHED C=CCN(CCc1ccccc1)CCc1ccncc1C 565948261 QPPJOKMCANGEBE-UHFFFAOYSA-N 280.415 3.663 30 20 CHED CN(CC#N)C(=O)c1ccccc1NCCC1=CCCCC1 563375461 CSIGWEXUULVWFD-UHFFFAOYSA-N 297.402 3.585 30 20 CHED C#C[C@@H](NC(=O)[C@H](CCC=C)c1ccccc1)C(C)(C)C 807879121 OCKXOZIHERHVND-IAGOWNOFSA-N 283.415 3.901 30 20 CHED CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(C#N)cc1 562569533 ZPLACYUGSVUGEU-VBNZEHGJSA-N 280.375 3.501 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 563490193 BKGZUZJJPVKDAV-ZWNOBZJWSA-N 297.383 3.666 30 20 CHED C=CCCCCCN(C)C(=O)C[C@@H]1CCC[C@H](OC)C1 476091006 NGNBEBXMAAETBX-CVEARBPZSA-N 281.440 3.787 30 20 CHED CCc1ccccc1NC(=O)CSCC1(C#N)CCC1 568850037 CRJQTSOGIJOSTJ-UHFFFAOYSA-N 288.416 3.615 30 20 CHED C#CCCCCCc1nc(Cc2ccc(C)s2)no1 809535724 UXNARCVWHCBLKP-UHFFFAOYSA-N 274.389 3.766 30 20 CHED C[C@H](C#N)CN(C)C(=O)CC(C)(C)C1CCCCC1 475121706 RTRQFGHNMOQQMB-CYBMUJFWSA-N 264.413 3.601 30 20 CHED C=CCCCCCCN[C@H](C)CC(=O)N1CCCCCC1 806168024 SVCDHZSDUVAGRS-QGZVFWFLSA-N 294.483 3.894 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)c1ccccc1 567086423 HQZFFIXRKKKNPI-UHFFFAOYSA-N 282.391 3.890 30 20 CHED C(/C=C/c1ccccc1)=NNc1nccnc1C1CCC1 807991598 NOACOPVHHSQAPX-VAAIBFCQSA-N 278.359 3.855 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1c(F)cccc1Cl 564930511 XVWGSGPKLHBMEM-UHFFFAOYSA-N 295.745 3.637 30 20 CHED C=C(CNC(=O)[C@H]1CCC(C)=C(C)C1)c1ccccc1 648392978 LAUMUOLZNQMRAE-KRWDZBQOSA-N 269.388 3.953 30 20 CHED Cc1cc(CN2CCC[C@H](CC#N)C2)c2ccccc2n1 397628567 UWHQTUJQCWSYNU-OAHLLOKOSA-N 279.387 3.669 30 20 CHED C(=NOCCC1CC1)c1ccc(N2CCCCC2)s1 814246168 FHBFBGFHECFMHE-UHFFFAOYSA-N 278.421 3.889 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2cc(C#N)cs2)[C@@H]1C 481823864 LCTZVFCBQJDWMR-BZPMIXESSA-N 262.422 3.782 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccc(-c2ccccc2)cc1C 810090560 RPCOCQUMFLTAEG-LJQANCHMSA-N 295.382 3.928 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccccc1F 811685294 ODGZOEAQIWAVMO-CMDGGOBGSA-N 269.250 3.733 30 20 CHED C#CCOc1ccccc1CNc1ncc(Cl)cc1C 812345515 CCKRSQSAVVZQCH-UHFFFAOYSA-N 286.762 3.668 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)c1ccc(OC)cc1 489961315 YMBXSTXXGHBBLW-UHFFFAOYSA-N 289.419 3.691 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H](CCO)CC1 817777495 UTUAFKFPISLODS-INIZCTEOSA-N 298.471 3.541 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccccc1C 650383410 MWVVXEBQBRBKSG-UXLLHSPISA-N 257.377 3.569 30 20 CHED CC(C)(C)CCCN[C@H]1CCc2ccc(C#N)cc21 575624383 CWQUJNCHGCBUEC-INIZCTEOSA-N 256.393 3.961 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 815698949 FYVYTILXBSQJSO-HIFRSBDPSA-N 293.357 3.850 30 20 CHED CC(CSC(C)(C)C)=NN[C@H](C)COc1ccccc1 811667747 CGUQWMNTRCZONA-CYBMUJFWSA-N 294.464 3.951 30 20 CHED C=C[C@](C)(CC)c1nc(C2(c3ccncc3)CCC2)no1 656035057 UDBPEMOJQCGAPZ-MRXNPFEDSA-N 283.375 3.788 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1coc2ccccc12 488893584 VSGVRFMVALJVDI-INIZCTEOSA-N 257.333 3.651 30 20 CHED CCN(CCC#N)C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 488743429 AFPSDFDOVYOEQO-GJZGRUSLSA-N 284.403 3.738 30 20 CHED C=CCC1(NCc2cnc3c(C)cccn23)CCCC1 657701923 FIICUMVBDAWJAL-UHFFFAOYSA-N 269.392 3.621 30 20 CHED C[C@H](C#N)CN[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 575985170 RVETZGIEBNKSOB-XPKDYRNWSA-N 276.811 3.800 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCC[C@H]2C(C)C)CC1 482642713 PQCBSTNOYURVHE-ROUUACIJSA-N 278.484 3.831 30 20 CHED CC#CCCNC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 483154012 JZVKFJUTCSLPEL-OAHLLOKOSA-N 290.382 3.626 30 20 CHED C=CCn1cccc1C(=O)N(Cc1cccc(F)c1)C1CC1 488367453 ALGDRIXHUGNYBJ-UHFFFAOYSA-N 298.361 3.618 30 20 CHED Cc1ccc([C@H]2CCN(c3ccc(C#N)c(C)n3)C2)c(C)c1 487719974 HYJPFTWANLPYSA-KRWDZBQOSA-N 291.398 3.872 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 814857924 CDOYNDBSYMTABB-CYBMUJFWSA-N 285.309 3.850 30 20 CHED C=C(CC)CNCc1nc(C(C)C)n2ccccc12 651825289 KJHSHKCLETXJPR-UHFFFAOYSA-N 257.381 3.514 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@@H](c3cccc(F)c3)C2)c1 577131003 CGOJIYWJKNXGQG-OAHLLOKOSA-N 298.336 3.826 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1SC[C@H](C)C#N 826877221 DJSVRZFBQDVNGX-CYBMUJFWSA-N 286.400 3.536 30 20 CHED CC(C)[C@@H](Nc1ccnc(C#N)n1)c1ccccc1Cl 571178449 DTPWJEYKUXENGC-OAHLLOKOSA-N 286.766 3.811 30 20 CHED Cc1cccc(OCCCN[C@H]2CCC[C@@H](C#N)C2)c1C 494495208 MOJJLEVSBYMJJR-SJORKVTESA-N 286.419 3.744 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC(CC#N)CC3)c2c1 578478877 YUPHXUUWVYALIH-UHFFFAOYSA-N 290.370 3.545 30 20 CHED C=CCCC(=O)OCc1ccccc1Oc1cccnc1 728342764 RAKMYCDTNYGDCM-UHFFFAOYSA-N 283.327 3.883 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2CCc3c(C)cccc32)c1 729641123 CMYOTRLUKSOPAN-BEWREHSGSA-N 281.355 3.816 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cnccc1C(F)(F)F 663473295 GWMLJUBDRUUNIU-QWRGUYRKSA-N 272.314 3.791 30 20 CHED C=CCCCCNC(C)(C)c1cc(C(F)(F)F)on1 572234417 FSMYOVLONZBLEN-UHFFFAOYSA-N 276.302 3.874 30 20 CHED C=CCN(C)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 490929516 XGEOVDDQINQLBH-SECBINFHSA-N 272.175 3.741 30 20 CHED COc1cc(C(=O)/C=C/c2cc(C)c(C)cc2C)on1 821022139 PBRHGBYZXPLAOI-AATRIKPKSA-N 271.316 3.505 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 499820172 ANQMJOIKQVRNIZ-LJISPDSOSA-N 287.403 3.931 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C)ccc2F)C1 664334147 VQWTVPVLHGMFFZ-ZDUSSCGKSA-N 276.355 3.954 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C\C1CCCC1 493675004 QFWITGJQYZJFFC-HJWRWDBZSA-N 254.333 3.552 30 20 CHED C=CCC1(N[C@@H]2CCC[C@@H](CC)C2)CCOCC1 668552550 OMCCOQBWGKTKDY-HUUCEWRRSA-N 251.414 3.670 30 20 CHED CCc1nc2cc(NC(=O)CCCCCC#N)ccc2o1 588151853 FSQBPYZGHLYNPL-UHFFFAOYSA-N 285.347 3.803 30 20 CHED Cc1cccc(/C=C/C(=O)c2csc(C(=O)O)c2)c1 730149275 FIAOZCQBSPSQQL-AATRIKPKSA-N 272.325 3.651 30 20 CHED C#CC(C)(C)NC(=O)CC1CCC(c2ccccc2)CC1 733976567 HPCJDDXFYHVNIO-UHFFFAOYSA-N 283.415 3.879 30 20 CHED Cc1ccc2[nH]cc(C=NNc3ccc(C(=O)O)cc3)c2c1 735609746 ZGLWYPYXJGXJHY-UHFFFAOYSA-N 293.326 3.621 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(C#N)cc1 734302691 JYKIGROZQPKWSE-UHFFFAOYSA-N 289.260 3.812 30 20 CHED CN(CCCC(C)(C)C#N)Cc1cccc2[nH]ccc12 494000239 PMANPVWLJMEGOM-UHFFFAOYSA-N 269.392 3.930 30 20 CHED Cc1scc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1C 839055571 OBBJBDDLRDIJHK-NEPJUHHUSA-N 263.362 3.604 30 20 CHED C=CCCC[C@H](N)c1nc(CC2CCCCC2)no1 904578124 XCUOWOKGQDLLTR-ZDUSSCGKSA-N 263.385 3.549 30 20 CHED C[C@@H]1/C(=C\c2cccc(OC(C)(C)C)c2)C(=O)c2nccn21 901565727 NKJOBOGZEHNGGA-PKVLTRFUSA-N 296.370 3.901 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](CCC)c1ccccc1 835119498 YBZBINZXCJEIRV-OWCLPIDISA-N 274.360 3.662 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCc2ccccc2C)cc1 837153326 IKYGIJQTQDHZCM-UHFFFAOYSA-N 296.370 3.894 30 20 CHED C[C@H]1OCC[C@@H]1SCCCCC1(C#N)CCC1 901526655 CTXSNVUEKYISMJ-OLZOCXBDSA-N 253.411 3.761 30 20 CHED CCc1ccccc1NN=Cc1c(C)noc1CC 901167564 RYMCEDFNTZBGSN-UHFFFAOYSA-N 257.337 3.554 30 20 CHED CCc1cccc2c(C=NNc3ccc(F)cn3)c[nH]c12 731318941 PIAJQEYDEFJCHV-UHFFFAOYSA-N 282.322 3.710 30 20 CHED N#Cc1ccc(C(=O)Oc2cc(Cl)ccc2F)cc1 735454599 HSZPFXCQPIARLX-UHFFFAOYSA-N 275.666 3.570 30 20 CHED CC[C@H](NCCC(O)(CC)CC)c1cccc(C#N)c1 902969142 BYEVQCFEJWDDHT-INIZCTEOSA-N 274.408 3.540 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccncc2)c1OC(F)F 588394011 FXNWQJBTESVZSF-WAYWQWQTSA-N 289.281 3.888 30 20 CHED CCCN(CC#Cc1cccc(Cl)c1)CC(F)(F)F 676575210 LKIUZSSEJUZWQF-UHFFFAOYSA-N 289.728 3.966 30 20 CHED C=CCC(F)(F)C(=O)N(C)c1ccc(Cl)cc1F 839348817 DQCHLNAJPRQGSS-UHFFFAOYSA-N 277.673 3.653 30 20 CHED C=CC[C@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 734986405 LLTVHKGPNWEUJR-VIFPVBQESA-N 288.338 3.956 30 20 CHED COc1cccc(/C=N/Cc2cccc(OC(C)C)c2)c1O 915981211 OERIDYJRVQVQBB-XDHOZWIPSA-N 299.370 3.807 30 20 CHED Cc1ccc(COC(=O)[C@]2(C#N)CC23CCCC3)cc1C 837904051 VXNNQKCGTFVYTM-GOSISDBHSA-N 283.371 3.821 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CCCC23CCC3)o1 834947269 DHUYXWGDTSQLHH-UHFFFAOYSA-N 286.379 3.867 30 20 CHED CC(=NNc1cncc(Cl)n1)c1ccc(Cl)cc1 914559667 GYOLPBASRONUSZ-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 591092384 JWLVFUFDANRMAK-UHFFFAOYSA-N 291.394 3.997 30 20 CHED Cc1cc(COc2c(C)cc(Cl)cc2C#N)nc(C)n1 594905976 DSVYFMWGQPEDAW-UHFFFAOYSA-N 287.750 3.506 30 20 CHED CC[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1 839056489 MGTHWUHJHXOFTP-BPUTZDHNSA-N 271.360 3.806 30 20 CHED COc1ccc(-c2ccc(F)c(C#N)c2)cc1N1CCCC1 593951697 GXBANTGHOFRRDQ-UHFFFAOYSA-N 296.345 3.973 30 20 CHED CC(C)N(CC1CCC1)C(=O)[C@H](C)Cc1ccc(C#N)cc1 594013540 VQXVVGLITZVFGY-OAHLLOKOSA-N 298.430 3.774 30 20 CHED C=C(C)CCOC(=O)c1ccc(OCc2ccccc2)nc1 744302882 FUWJEODDVULCNR-UHFFFAOYSA-N 297.354 3.784 30 20 CHED CC1(C)C(=NNc2ccc(Cl)cc2)[C@H]2CCCO[C@H]21 743419735 YUWAFHZEPNJOPT-TZMCWYRMSA-N 278.783 3.943 30 20 CHED Cc1cnc(C(C)(C)N[C@@H](C#N)c2ccccc2)s1 595430262 UAGPHDKGQGMHEL-ZDUSSCGKSA-N 271.389 3.541 30 20 CHED COc1cccc(/C=N/C[C@H](C)Cc2cccs2)c1O 741465656 XDNTZUKRSAFFJW-PBSOMRJOSA-N 289.400 3.760 30 20 CHED Oc1cccc(/C=N\Cc2cccc3ccccc23)c1O 745624141 HABKPOLNYRMTTC-UNOMPAQXSA-N 277.323 3.870 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 590709659 WLNJVURBZPBTTC-KXBFYZLASA-N 296.414 3.955 30 20 CHED C=CCCCOC(=O)[C@@H]1SCCc2sccc21 745639240 XDOUOSAJUFNJEB-GFCCVEGCSA-N 268.403 3.588 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCC[C@H](C)C1 915920347 FWJOJCDKHCMDAR-NSHDSACASA-N 275.421 3.848 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C)ccc2OC)cc1 747003289 HGOHLKQOEFVAKL-JXMROGBWSA-N 282.339 3.908 30 20 CHED CCC[C@H](C(=O)N[C@H](C#N)C(C)C)c1cccc(Cl)c1 599412431 PDFLFZHSMSPIME-LSDHHAIUSA-N 292.810 3.888 30 20 CHED CC#CCOC(=O)CCCSc1ccc(Cl)cc1 744451115 PAJIYGXTBZDUMG-UHFFFAOYSA-N 282.792 3.779 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc2nc(O)oc2c1 671763735 GDQJRYOSZTTXHV-JQWIXIFHSA-N 260.337 3.539 30 20 CHED CC(C)c1ccc(N(C)Cc2ccc(C#N)cn2)cc1 846817862 PNIDDHJDBBWHQO-UHFFFAOYSA-N 265.360 3.713 30 20 CHED CCOc1ccc(/C=N\[C@H](CC)c2ccncc2)c(O)c1 741466447 RNHNKHCVQRQMEK-BKAYVGFPSA-N 284.359 3.756 30 20 CHED CCCCCCCc1nc(Cc2ccc(N)cc2)no1 843165011 XSIFPFJLHHXFQP-UHFFFAOYSA-N 273.380 3.756 30 20 CHED C=C[C@@H](C)ON=C(C)c1[nH]c(-c2ccccc2)nc1C 844626088 XLVCEJPXEDGBDY-LLVKDONJSA-N 269.348 3.700 30 20 CHED CC[C@@H](C#N)C(=O)NC(C)(C)CC1CCCCCC1 593636598 AGQAUZBGAIAQIG-AWEZNQCLSA-N 264.413 3.791 30 20 CHED C/C(=C/C(=O)N(CCC#N)CC(C)(C)C)C(C)(C)C 742643822 YGLUEDJLAAJMPU-QBFSEMIESA-N 264.413 3.767 30 20 CHED C=CCC[C@H](C)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C 843415189 BFSDRPUSSUEPST-IHRRRGAJSA-N 284.444 3.623 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc([S@](C)=O)cc1 746366588 PVQSLBDJEVBNTJ-FQEVSTJZSA-N 286.400 3.569 30 20 CHED CC(C)CC1(NCc2ccc(C#N)cc2OC(F)F)CC1 595832592 XTJCBADNINDGAH-UHFFFAOYSA-N 294.345 3.828 30 20 CHED N#CC1(CC(=O)Nc2c(O)cccc2Cl)CCCCC1 597701059 QQVSQGJUDUZMEM-UHFFFAOYSA-N 292.766 3.848 30 20 CHED C[C@H](CC(=O)N1CCC[C@@H](CC#N)C1)C1CCCCC1 597912263 UFENCBSVSUSDRQ-CABCVRRESA-N 276.424 3.745 30 20 CHED CCCON=Cc1csc(-c2cccs2)n1 842555675 DZSWUOAJXWGWNK-UHFFFAOYSA-N 252.364 3.632 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C\C1CCCC1 843826383 SOAXKIDVOGOUFE-NTMALXAHSA-N 283.375 3.675 30 20 CHED C=C[C@H](C)ON=C1CCC(c2ccc(O)cc2)CC1 844626612 YCXCBZYTJCTXOJ-UEWDXFNNSA-N 259.349 3.997 30 20 CHED N#Cc1c(N2CCC3(CCCC3)C2)cccc1-n1cccn1 848669112 BVWLIPWHRLBPGO-UHFFFAOYSA-N 292.386 3.514 30 20 CHED COCCOc1cccc(-c2ccc([C@@H](C#N)OC)cc2)c1 844228870 NXXVPNYEKVKRIE-GOSISDBHSA-N 297.354 3.590 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H](C)Oc2cccc(C)c2)c1 741841622 BRALYWFFSQWPBE-ONDHQXCVSA-N 299.370 3.596 30 20 CHED N#CC1(CC(=O)NCCCc2cccs2)CCCCC1 597462611 GMAWTAKCXNVLIZ-UHFFFAOYSA-N 290.432 3.661 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC(C)(C)c2ccccc21 682086580 GABXFUVBRALKII-GOSISDBHSA-N 287.403 3.540 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])co1 752882854 OLNGKZSNNAASIT-FPLPWBNLSA-N 286.287 3.602 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 755324698 AEBGBKZSSJCZSM-OLZOCXBDSA-N 258.365 3.574 30 20 CHED COc1ccc(NN=C(C)c2cc(F)cc(F)c2O)cc1 750921440 JOWWTGVVBVYLGU-UHFFFAOYSA-N 292.285 3.515 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc2c(c1)CCO2 920385684 GBFOHFJQDDWMRM-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C=C[C@H](OC(=O)CCC(C)(F)F)c1ccccc1 851452019 GODFWOKUXSPDHX-LBPRGKRZSA-N 254.276 3.892 30 20 CHED C#CC[C@H](Nc1ccnc(C(C)C)n1)c1ccccc1 756957258 NKULJLNVGMZOQE-HNNXBMFYSA-N 265.360 3.777 30 20 CHED CC[C@H](C)c1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1 855254371 JGVMNYPPPCKOAD-GJZGRUSLSA-N 284.403 3.966 30 20 CHED C=CCCN[C@@H](C)c1cc(Br)cc(C)c1O 850502972 YGFBWRBCGZHUJQ-JTQLQIEISA-N 284.197 3.690 30 20 CHED CCCn1nc(C)c(C=NN[C@H](C)c2ccccc2)c1C 755664310 KGXSOENHVVQXBL-CYBMUJFWSA-N 284.407 3.595 30 20 CHED CC(=NNc1nc2ccc(Cl)cc2s1)[C@H]1CCOC1 853438777 NFHCRZNCZKGBOE-VIFPVBQESA-N 295.795 3.774 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(N(C)C)cc1 920383861 ZGNCFCFUZQJFIZ-CQSZACIVSA-N 281.403 3.827 30 20 CHED Cc1ccc(F)c(CC(=O)O[C@@H](C)CC(C)(C)C#N)c1 851204572 BMJAWAVFQBBGEO-LBPRGKRZSA-N 277.339 3.548 30 20 CHED Clc1cc(Cl)cc(C=NO[C@@H]2CCCCO2)c1 755816281 DKNAYSGAPKWNNS-GFCCVEGCSA-N 274.147 3.871 30 20 CHED Cc1cccc(CCC(=O)O[C@@H](C)CC(C)(C)C#N)c1 851213646 SIWFOSZCPVZWTC-AWEZNQCLSA-N 273.376 3.799 30 20 CHED C#CCCCC(=O)Oc1ccc(OC)c2ccccc12 758521394 DEFCXOGJOQEQMV-UHFFFAOYSA-N 268.312 3.557 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C(F)F)n(C)n1 936025434 BOSVKXUPYHJRQC-UHFFFAOYSA-N 299.365 3.614 30 20 CHED Cc1ncc(C=NNc2cccc(F)c2)n1-c1ccccc1 755662518 QCNCZBBEGUPCLA-UHFFFAOYSA-N 294.333 3.766 30 20 CHED CC(=NNc1ncnc2ccsc12)c1cccc(C)c1 764836355 YJFAXQQLAIUAGT-UHFFFAOYSA-N 282.372 3.836 30 20 CHED CC(C)CCCC=NNc1ccc(C(=O)O)c(F)c1 863118220 RDZDCYSFVXBAON-UHFFFAOYSA-N 266.316 3.748 30 20 CHED CCc1cnccc1C(C)=NN[C@H](C)c1ccccc1 765572963 VRCAFWOLKAJBNR-CYBMUJFWSA-N 267.376 3.719 30 20 CHED Cc1ccc(SCC(=O)Oc2ccc(C#N)c(C)c2)cc1 765093522 BOGUYELWCNWPMJ-UHFFFAOYSA-N 297.379 3.873 30 20 CHED CC(=NNC(=S)Nc1ccccn1)[C@H](C)c1ccccc1 767805347 BOBSKXJDHUKXMT-LBPRGKRZSA-N 298.415 3.548 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCCc2ccccc2C1 932208312 XUISISWOTMFNRX-AWEZNQCLSA-N 257.377 3.564 30 20 CHED C#CCOc1ccccc1-c1noc(-c2ccc(C)cc2)n1 761989379 IQOQSEBYNALUQX-UHFFFAOYSA-N 290.322 3.724 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccc(C)cc1 860616544 TUVSNRDSMMMTKB-ZDUSSCGKSA-N 259.349 3.929 30 20 CHED C=CCN(C/C=C/c1ccccc1[N+](=O)[O-])C(C)C 768547875 SYKRLBVZHAHCIL-VQHVLOKHSA-N 260.337 3.504 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc2c(c1)COC2 762157805 SERFRBOZEYFAKG-UHFFFAOYSA-N 272.344 3.528 30 20 CHED Fc1cc(NCCC(F)(F)F)c(F)c(F)c1F 871856648 TVHWEAXCICYDLH-UHFFFAOYSA-N 261.140 3.607 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)CCC(F)(F)F 768036854 VKXYNISAXGCJEO-UHFFFAOYSA-N 299.292 3.873 30 20 CHED CC(C)O[C@H]1CC(=NNc2cnc3ccccc3n2)C1(C)C 764910895 DYKACGAYVANOSO-HNNXBMFYSA-N 298.390 3.621 30 20 CHED CC(=O)[C@](C#N)(CCN(C)[C@@H](C)C1(C)CC1)c1ccccc1 878179309 KUVVLOIRRJOWQS-HNAYVOBHSA-N 298.430 3.547 30 20 CHED N#Cc1ccc(CSc2ccc(Cl)cn2)cc1 70211198 KEVBDROVIBMSKA-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Fc1ccccc1-c1ccc(C=NOC2CCOCC2)o1 774435914 LJCOJMWLFRWTOX-UHFFFAOYSA-N 289.306 3.615 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCC[C@H]1CCO 779536369 MVBHGGTYYHCNMS-HOTGVXAUSA-N 298.471 3.539 30 20 CHED CC(C)[C@H]1C[C@@H](NCc2ccc(C#N)cn2)c2ccccc21 774372497 YFOAKLZYXWRNEO-RTBURBONSA-N 291.398 3.927 30 20 CHED COc1cc(Cl)ccc1NCc1ccccc1C#N 774369055 JPQLIBBBCUAJBO-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CCCCCCCN[C@@H](C)CC1(C#N)CCOCC1 876897647 KYKRSHFRTZOBFE-HNNXBMFYSA-N 266.429 3.645 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)c1c[nH]c(C#N)c1 779237329 TYFPSMCQRBBVDM-XHDPSFHLSA-N 280.327 3.600 30 20 CHED CCCC[C@@H](CCC)NC(=O)Nc1cc(CC#N)ccn1 871725867 AQFKRGWNEUWKSS-CQSZACIVSA-N 288.395 3.628 30 20 CHED C#CCCCCCc1nc(-c2ccc(CN(C)C)cc2)no1 779742789 KCOVDHXESABPHR-UHFFFAOYSA-N 297.402 3.534 30 20 CHED CC(=NOC1CCOCC1)c1cc(C)c(C)cc1C 774460429 WUMSRZGYUXMPNI-UHFFFAOYSA-N 261.365 3.531 30 20 CHED C#CC[C@@H](NCCc1ccc2c(c1)CCO2)c1ccccc1 775400413 ZXRZIKJBENFZFF-LJQANCHMSA-N 291.394 3.518 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cc1 776727201 SIGHNIIJWSQTPJ-TWGQIWQCSA-N 295.313 3.740 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc2c(s1)CCCC2 776353822 HFOBYXPOVCUSET-UHFFFAOYSA-N 277.389 3.724 30 20 CHED CCCCCCCCCC(=O)N1CC=C(COC)CC1 772983231 WFBHYRHKRYUYBD-UHFFFAOYSA-N 281.440 3.932 30 20 CHED Fc1cc(Br)ccc1C1CC(=NN2CCC2)C1 872398100 DHQUZDZJFQYYCE-UHFFFAOYSA-N 297.171 3.527 30 20 CHED C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)Cc2ccccc21 873014289 NTXOTGSFHZXRPN-CQSZACIVSA-N 299.418 3.645 30 20 CHED C[C@H](NCc1cccc(Cl)c1O)c1cccc(C#N)c1 776218422 IMYSHPAINXCGLS-NSHDSACASA-N 286.762 3.768 30 20 CHED Cn1c(C=NOC2CCCCC2)nc2ccc(Cl)cc21 777456963 JIFKWHNMLRTJTQ-UHFFFAOYSA-N 291.782 3.910 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc(O)cc1 777912645 WLBXMJSMXLZNEB-WEVVVXLNSA-N 256.276 3.736 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1csc2ccccc12 777508535 BTSVJCVVJMSVBW-NSHDSACASA-N 274.389 3.790 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCOC[C@@H]1C#N 775487998 LJTUWEAGOLYGKX-CVEARBPZSA-N 294.439 3.514 30 20 CHED CCc1ccc(C(C)=NNc2nccnc2C(C)C)o1 773089897 ARVRQDYHIXBOBL-UHFFFAOYSA-N 272.352 3.592 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1cc(Cl)nc(C)n1 773203581 RQUOQRKXQODSFN-ZYHUDNBSSA-N 278.787 3.829 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1F 777914199 ATCYLVSSXSRRIB-VQHVLOKHSA-N 285.274 3.938 30 20 CHED Cc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)c(C#N)n1 882469327 WRGXUMLRHPJYNM-MRXNPFEDSA-N 288.354 3.623 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc(Cl)cc2F)n1 783521458 TZDDFWPYZUSWFS-UHFFFAOYSA-N 299.136 3.677 30 20 CHED CC[C@@H](CC#N)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786514881 ZJDIPHUGYQQHIU-STQMWFEESA-N 284.359 3.897 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H](OC)CC1 783258835 SIYJIOANWZTRHX-HNNXBMFYSA-N 284.444 3.557 30 20 CHED C=C[C@@H](C)NC(=O)c1c(Cl)cccc1C(F)(F)F 889472560 YFBSUXBPLFMFJR-SSDOTTSWSA-N 277.673 3.663 30 20 CHED Cc1oc(C)c(C(=O)OCCCC(C)(C)C#N)c1C 782562773 AAQLABNDMKAIQV-UHFFFAOYSA-N 263.337 3.692 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(CCC(=O)OC)c1 786578985 ZNHDVUFSWINBDT-ZIAGYGMSSA-N 275.392 3.805 30 20 CHED Cc1cc(CN(C)[C@H](C)Cc2cccs2)ccc1C#N 1560663283 IXPIMIVYJHVSDH-CQSZACIVSA-N 284.428 3.991 30 20 CHED Cc1cc(C)c2cc(N[C@H]3CC[C@@H](C#N)C3)ccc2n1 895879636 SUYRSBAUVAPXIK-KGLIPLIRSA-N 265.360 3.956 30 20 CHED N#C[C@H]1CCCN(Cc2cccc(Oc3ccccn3)c2)C1 896502653 YQXQJOZHSNGSKX-MRXNPFEDSA-N 293.370 3.609 30 20 CHED Cn1cc(/C=C2/Cc3cc(Cl)ccc3C2=O)c(C2CC2)n1 899360294 IBVJXZRVWLYWCK-GHXNOFRVSA-N 298.773 3.773 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1ccc(O)c(F)c1 782328721 XPEXTARQRVOTLC-GORDUTHDSA-N 293.297 3.976 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N 780175816 HGWAWDBBBDRLNA-STQMWFEESA-N 288.391 3.988 30 20 CHED C[C@@H]1C(=NNc2cccc([N+](=O)[O-])c2)CCC[C@H]1C 781113802 HQAWXFRTCTXPAJ-MNOVXSKESA-N 261.325 3.819 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1ccc(C#N)cc1 15144752 INJFUEFPEFTBEC-LBPRGKRZSA-N 268.385 3.739 30 20 CHED CC(C)c1cccc(CNc2n[nH]c(C3CC3)c2C#N)c1 1202731311 IUONIDPWUNLEPG-UHFFFAOYSA-N 280.375 3.894 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)C1(C#N)CCCC1 890610725 VHNXERFVJGDSQT-OAHLLOKOSA-N 268.360 3.564 30 20 CHED FC(F)(F)c1csc(NN=C[C@H]2CCCSC2)n1 794919494 ZWKRIOLSYCGXCH-SSDOTTSWSA-N 295.355 3.703 30 20 CHED C=CCN(C(=O)c1ccc2c(c1)CCC=C2)C(C)C 793466326 PPYZFIBRIJCKGD-UHFFFAOYSA-N 255.361 3.683 30 20 CHED CCOc1ccc(C=Nc2cc3c[nH]nc3cc2C)c(O)c1 790100437 UODVPEHCROXCGX-UHFFFAOYSA-N 295.342 3.726 30 20 CHED CCCCc1ccc(C(C)=NNc2ncncc2F)cc1 793217090 AFIZUKHAPMSBBQ-UHFFFAOYSA-N 286.354 3.794 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1scnc1C1CC1 799499830 ZPBFMEDZQSBVTE-FPLPWBNLSA-N 280.352 3.788 30 20 CHED CC1(C)CCC(C)(CNc2ncccc2C#N)CC1 1307142670 XUHYXKYSYRLBOI-UHFFFAOYSA-N 257.381 3.972 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N1C2CCCC1CCC2 1146507953 RIAXQSMORDDENE-WWDZGPRUSA-N 296.414 3.693 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1C#N 799308196 YWIUVXZGFKIKOQ-UHFFFAOYSA-N 292.382 3.574 30 20 CHED CCCCCCCN1CC[C@H](c2ccccc2)S1(=O)=O 793856391 MKGIYKXZZOHBJU-MRXNPFEDSA-N 295.448 3.734 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)c1ccc(F)c(C#N)c1 790849158 GRSLTJDQJWQVPQ-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] 45796762 LTWDUIPCMLJZIL-UHFFFAOYSA-N 282.343 3.783 30 20 CHED COc1cc(C#N)ccc1CNc1cccc(C)c1C 83492942 HIAYXWNBQUDYKW-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CN(C(=O)C1CCC(C)(C)CC1)c1ccccc1C#N 508087938 MPODNVUXZXKQMT-UHFFFAOYSA-N 270.376 3.737 30 20 CHED C=CC1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 750044071 BOMFJYOZWDHANR-UHFFFAOYSA-N 293.794 3.646 30 20 CHED CC1(C)CC[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C1 514139588 CREYVIZOMPZIRH-SNVBAGLBSA-N 276.767 3.976 30 20 CHED CC(C)(C#N)CCCCN1CCc2cccc(F)c2C1 277770720 RBMGZLWAQGDQCC-UHFFFAOYSA-N 274.383 3.904 30 20 CHED N#Cc1ccc(CNCc2ccc3occc3c2)cc1 586776377 FBDQGJWJIGPLTN-UHFFFAOYSA-N 262.312 3.594 30 20 CHED N#CCCCC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 1327647002 IDECNQWLTLCFTJ-SJLPKXTDSA-N 282.387 3.608 30 20 CHED C[C@H]1CC[C@H](Cc2nnc(-c3cccc(C#N)c3)o2)C1 1322411117 BBSBOTDFPVYUTA-RYUDHWBXSA-N 267.332 3.587 30 20 CHED C[C@@H]1CCC[C@@H](c2nnc(-c3cccc(C#N)c3)o2)C1 1328429380 MWRXCHMARSUGTR-DGCLKSJQSA-N 267.332 3.902 30 20 CHED C=C[C@H](COC)NC(=O)CC1CCC(C(C)(C)C)CC1 1325635068 PTMKIGUQNJBTNI-YMAMQOFZSA-N 281.440 3.546 30 20 CHED N#CCCN(CCC#N)CCc1cc(Cl)cc(Cl)c1 194739625 GMISZXGZFJDNQW-UHFFFAOYSA-N 296.201 3.665 30 20 CHED N#Cc1cc2c(nc1NCc1cccc(C(F)F)c1)CCC2 1255362000 ZNATYGQEMRUMRE-UHFFFAOYSA-N 299.324 3.992 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(CC#N)cc1 596658025 GMKFMTQJVJBZPS-UHFFFAOYSA-N 271.364 3.619 30 20 CHED C=C(C)CCC(=O)Nc1cc(C)nn1Cc1ccccc1 1335738547 DXXBYYKLDIHQGD-UHFFFAOYSA-N 283.375 3.535 30 20 CHED N#Cc1ccc(F)cc1CSc1ccc(C(=O)O)cc1 69401066 YDQOVSQVKFZLOY-UHFFFAOYSA-N 287.315 3.688 30 20 CHED N#CCOc1cccc(OC(=O)C2C[C@H]3CCC[C@H](C2)C3)c1 1331434119 IJWLWBLLMVPGRI-KBPBESRZSA-N 299.370 3.711 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC(F)(F)C(F)F)n1 599113047 WPJRSHKZYNFQKA-UHFFFAOYSA-N 289.276 3.563 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H](C)COCc1ccccc1 695840468 BSOFWRBIRBIQJX-CVEARBPZSA-N 288.435 3.757 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 1184763094 OTDHTPMUTRQWDL-MRXNPFEDSA-N 297.333 3.970 30 20 CHED C#Cc1ccc(N[C@H](C)c2ccc(OC)c(OC)c2C)nc1 1337876649 QIMZNBHMBGNNCB-CYBMUJFWSA-N 296.370 3.562 30 20 CHED Cc1cc(Cl)c(NCc2cccc(C#N)n2)cc1C 1181922576 ZYDZEQGWHSUXPE-UHFFFAOYSA-N 271.751 3.836 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C#N)C1 1251879208 PTRMWDBTXGSBFH-OAGGEKHMSA-N 291.439 3.538 30 20 CHED C=C(CC)CN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 773428658 LYXVPLAKJZFUNY-HZPDHXFCSA-N 277.408 3.914 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(C)c(Cl)c1Cl 1261505900 ZPLZCCVTMAEWLA-MRVPVSSYSA-N 289.162 3.929 30 20 CHED CCC[C@H]1CCCN1C(=O)[C@H](C#N)CCc1ccccc1 1262647243 YOBXHKNVGFBHIG-IRXDYDNUSA-N 284.403 3.550 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cccc(C(F)F)c1 1351521111 ABPWZDNNVRUMHN-UHFFFAOYSA-N 280.318 3.570 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(F)c1 1355526219 HLMABHWLLYSWLM-UHFFFAOYSA-N 299.349 3.815 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 1276114817 KQWMWVWYKDJFNE-QEJZJMRPSA-N 284.403 3.811 30 20 CHED C[C@@H](OC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 1524302445 PRHWSBKTGBYYIY-BSXOQXRQSA-N 283.371 3.989 30 20 CHED CC(C)[C@H](Cc1ccccc1)Nc1ccc(C#N)cn1 1458587436 ITXOTSPLMVDUDA-INIZCTEOSA-N 265.360 3.632 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(C)n(C(C)C)n1 1520277131 NEFMQENCFXHDFY-AWEZNQCLSA-N 290.411 3.735 30 20 CHED Cc1cc(S[C@@H](C)C(=O)OC(C)(C)C)ccc1C#N 1459144794 ZYWDNEXUQSTWFU-NSHDSACASA-N 277.389 3.689 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)O[C@H](CC#N)c2ccco2)C1 1526993584 UKQXUSUOUYTEIW-YRGRVCCFSA-N 261.321 3.604 30 20 CHED Cc1noc(C)c1C(=O)Nc1cc2ccccc2cc1C#N 1535784533 IYOSHVUMAYMZKL-UHFFFAOYSA-N 291.310 3.569 30 20 CHED Cc1cc(F)ccc1COC(=O)c1cccc(C#N)c1C 1536576821 UEKAVKMNCLBEGK-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C[C@H](CCC#N)Sc1nccn1-c1cccc(F)c1 1613352989 DNMRSLADWDOXGB-LLVKDONJSA-N 275.352 3.796 30 20 CHED CCCCCCCCCC(=O)NC1(CO)CCCC1 103606032 NHPMXJOAYZBLDU-UHFFFAOYSA-N 269.429 3.548 30 20 CHED CC(C)(C(=O)Nc1cccc(CC#N)c1)c1ccc(F)cc1 1543579154 OASZERCGHFXKJD-UHFFFAOYSA-N 296.345 3.808 30 20 CHED COc1cc(CN2CCC[C@H](C(C)(C)C)C2)ccc1C#N 1621283143 KKOVRDPHGSPBTP-INIZCTEOSA-N 286.419 3.825 30 20 CHED C[C@@H](Nc1nc2ccccc2nc1F)c1ccc(C#N)cc1 1559082405 MZPUEGORDAIXDQ-LLVKDONJSA-N 292.317 3.814 30 20 CHED CC1(C)OB(/C=C/c2c(F)cccc2F)OC1(C)C 307348834 DINVFVZFISLFER-CMDGGOBGSA-N 266.096 3.609 30 20 CHED C[C@H](Sc1ccc(C#N)cc1)C(=O)c1ccccc1 1559361899 NPLZSVDPQCUGRM-LBPRGKRZSA-N 267.353 3.922 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1cc(F)cc(C#N)c1 1563171761 JHBCPRRSLWKCRD-NEPJUHHUSA-N 289.354 3.740 30 20 CHED CCCN(CCC1CCC1)Cc1ccc(C#N)cc1 1644334756 ZIHUYBNJHDSDDF-UHFFFAOYSA-N 256.393 3.960 30 20 CHED C=C[C@H](N[C@@H](C)c1ccc(Cl)c2ccccc12)C(=O)O 1588692604 FQOAZRMQNZHPAJ-BONVTDFDSA-N 289.762 3.783 30 20 CHED CC(C)C[C@@]1(CO)CCCN1CCC1(C#N)CCCCC1 1654344778 JCIKVPOEUWRSRI-GOSISDBHSA-N 292.467 3.724 30 20 CHED Cc1ccc(F)c(COC(=O)c2ccc(C#N)cc2F)c1 1587488361 YRDNEFRFEOHDFQ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=CC[C@@H]1CC[C@H](Nc2ccc(CCC(=O)O)cc2)C1 1588770661 CBIOLVVSTWMSQT-ZBFHGGJFSA-N 273.376 3.861 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2oc3ccccc3c2C)n1 1595473159 ZUFFFAHEJQAIHR-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)CC1 1674213322 QDDICBPODXBQEY-SMDDNHRTSA-N 289.354 3.788 30 20 CHED C[C@H](NC(=O)NCC1CCCCCC1)c1ccc(C#N)cc1 1676108288 PGBZFSXJFQETHU-AWEZNQCLSA-N 299.418 3.889 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)Nc1cc(F)cc(C#N)c1 1673773658 RHOSSTNDTRVUMN-UHFFFAOYSA-N 295.317 3.600 30 20 CHED C[C@@H]1Cc2ccccc2C(=O)/C1=C\c1cc(C(=O)O)cs1 1776665881 HVTSQFSYHCHTCP-IIBSKXHVSA-N 298.363 3.905 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)s2)c(C)c1 1776132700 CALBTOSTRUOGHU-DAXSKMNVSA-N 286.352 3.959 30 20 CHED Cc1c(F)cccc1C=NNc1cccc(C(=O)O)c1C 1776089766 GWHWVSHPJGGEMN-UHFFFAOYSA-N 286.306 3.587 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2csc(C(=O)O)c2)c1 1776133594 CIUIPXOFJULWEI-AATRIKPKSA-N 286.352 3.959 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(C)cc1F 1776014691 ZFRUGAUDRYFTCN-UHFFFAOYSA-N 286.306 3.668 30 20 CHED C[C@@H]1CCCCC1=NNC(=S)Nc1ccccc1 13136341 MQUIDKFTZLXHED-LLVKDONJSA-N 261.394 3.539 30 20 CHED C=CCN(C)C(=O)Cc1cc2c(ccc3ccccc32)o1 161638604 VXKZUUOSVCRQHK-UHFFFAOYSA-N 279.339 3.773 30 20 CHED C[C@H](CCC(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 160142368 ICPHXKFKDWIFPA-ZBFHGGJFSA-N 278.355 3.842 30 20 CHED C=CCCCCCN(C)C(=O)Nc1nc(C)cs1 153294363 XTBWIVMKROWWGT-UHFFFAOYSA-N 267.398 3.662 30 20 CHED CC#CCCSc1nnc(-c2c[nH]c3ccccc23)o1 155061902 XVGSGNFRVNZCSS-UHFFFAOYSA-N 283.356 3.723 30 20 CHED Cc1cc(CNc2ccc([N+](=O)[O-])c(C#N)c2)ccc1F 157609792 CYRXVMKACHANPF-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccccc1C(C)(C)C 155498861 PNNKCEKEWOEONE-GFCCVEGCSA-N 273.380 3.798 30 20 CHED C=C[C@@H](CC(=O)Nc1ncccc1C)c1ccccc1 154460291 KEPDLLASTAJMBI-AWEZNQCLSA-N 266.344 3.688 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(OC)c1 156759306 RHGLFVPOPOIIBV-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 156860135 ZPFLVQQRCDMIOY-UHFFFAOYSA-N 290.363 3.722 30 20 CHED C#C[C@@](C)(CC)NCc1csc(-c2cccs2)n1 852097581 RKDJARHSHAFFQB-AWEZNQCLSA-N 276.430 3.763 30 20 CHED N#CCCCc1nc(Cc2ccc(Cl)cc2Cl)no1 236049204 FYBAZMWUFTVMPA-UHFFFAOYSA-N 296.157 3.813 30 20 CHED N#Cc1ccc(F)c(COc2ccc(Cl)cc2C=O)c1 36805078 RRANTEKTLJOCTN-UHFFFAOYSA-N 289.693 3.742 30 20 CHED Cc1ccc([C@H](C)Nc2nc3c(cc2C#N)CCC3)s1 44377424 PDULWTSGICGDSE-NSHDSACASA-N 283.400 3.985 30 20 CHED CCc1nc(C#N)cc(N[C@H](CC)C2CCCCC2)n1 308182546 VMGYOFRSKHVTHL-CQSZACIVSA-N 272.396 3.681 30 20 CHED COc1cc(C#N)ccc1OC[C@@H]1CCC[C@H](C)C1 311618168 WUFNRDIUBDHYCZ-GXTWGEPZSA-N 259.349 3.772 30 20 CHED CC1(C#N)CCN(C(=O)c2cc3cscc3s2)CC1 528991564 BVUQEUSDNOWTCF-UHFFFAOYSA-N 290.413 3.729 30 20 CHED Cc1nc(NCc2cc(F)ccc2F)c(Cl)cc1C#N 336834988 SSMKNPBJKWBFME-UHFFFAOYSA-N 293.704 3.805 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)c1n[nH]c(C)n1 392417082 KXCCDUQBSSZBMT-NWDGAFQWSA-N 252.406 3.513 30 20 CHED C=CCCOC(=O)[C@H](C)Sc1ccc(Cl)cc1 729073207 GNTXAIVWBYWTHW-JTQLQIEISA-N 270.781 3.940 30 20 CHED CCC(=NOCc1ccccc1)c1ccc(O)cc1 839418827 CIPYKGWVAJDWCU-UHFFFAOYSA-N 255.317 3.723 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1F 343020685 VPHUOWUXZNLTGG-UHFFFAOYSA-N 276.355 3.536 30 20 CHED N#Cc1ccc(CN2CCC(c3ccc(O)cc3)CC2)cc1 55102573 RGPDBQACPJVLCY-UHFFFAOYSA-N 292.382 3.643 30 20 CHED C=CCOCCCC(=O)N(C)[C@H](C)c1cccc(Cl)c1 173360940 WRBJJVYZNJWGCI-CYBMUJFWSA-N 295.810 3.842 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCc2cc(C)ccc21 56841861 KGHJOVKYAFWZLK-INIZCTEOSA-N 272.392 3.590 30 20 CHED N#CC1(CNCc2c(Cl)cccc2Cl)CCC1 418141714 LNRGEFUMQUXSON-UHFFFAOYSA-N 269.175 3.777 30 20 CHED CCOc1cccc(NC(=O)/C=C/c2ccccc2C#N)c1 55768297 LHJQSJKYUWIVAU-ZHACJKMWSA-N 292.338 3.609 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(CC#N)c1 178112008 ICNDGRHQKSVMBL-WMLDXEAASA-N 284.403 3.793 30 20 CHED O=C(/C=C/c1csnn1)c1cccc(Cl)c1Cl 116609383 ZZKHPXQTUWRKLU-SNAWJCMRSA-N 285.155 3.741 30 20 CHED CCC1(CC)CN(Cc2ccc(C#N)cc2F)CCS1 464579205 RHOVFVBSZPZTDL-UHFFFAOYSA-N 292.423 3.805 30 20 CHED Oc1ccccc1/C=N/C[C@@H](c1ccccc1)N1CCCC1 22769577 QOAOEKSIJGAKOM-OFBHVFLISA-N 294.398 3.648 30 20 CHED C[C@H]1CCCN1c1c(C#N)cnc2c(F)ccc(Cl)c12 172812743 ZFQGJJCNVKKIMB-VIFPVBQESA-N 289.741 3.888 30 20 CHED CCCCCCCCCC(=O)N(C)C[C@@H](C)C#N 109476453 GLKPGLZTCRBOKL-AWEZNQCLSA-N 252.402 3.745 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCCCCCC1 58453654 YNOYTVUYTFSTJZ-UHFFFAOYSA-N 271.364 3.665 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 117000359 GXOZWDDJSOVZKX-LBPRGKRZSA-N 271.364 3.574 30 20 CHED C#Cc1cccc(NCc2cnc(C)n2-c2ccccc2)c1 174286790 JFQALAJSQAGJLD-UHFFFAOYSA-N 287.366 3.774 30 20 CHED Cc1cc(C)cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 116808309 VPVVEDCNFITUBF-PXAZEXFGSA-N 270.376 3.506 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc2ccc(C)nc12 117006657 QRPMYMJHYUJFHN-NSHDSACASA-N 269.348 3.629 30 20 CHED C[C@@H](OC(=O)CC[C@@H]1CCCCO1)c1ccc(C#N)cc1 175802821 LLWFSFXVQSOSPF-CJNGLKHVSA-N 287.359 3.512 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccccc1F 60678031 WBOCYTFHGOSSRP-UHFFFAOYSA-N 275.348 3.716 30 20 CHED COc1cccc2c1CC[C@@H]2NCC(C)(C)CCC#N 348233216 VCINPMFPMBECKS-HNNXBMFYSA-N 272.392 3.602 30 20 CHED CC[C@@H](C)CSc1ccc(C#N)cc1[N+](=O)[O-] 301582600 AALCRDZQCPYKLQ-SECBINFHSA-N 250.323 3.605 30 20 CHED C[C@H](CC(=O)[C@@H](C#N)c1ccccn1)c1cccc(F)c1 116592234 SNZWACVRUAAXES-DOMZBBRYSA-N 282.318 3.591 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC(F)(F)F 112184249 KZBCRXXLADKCMC-UHFFFAOYSA-N 263.303 3.534 30 20 CHED C#CCCOc1ccc(CNCc2ccc(C)c(F)c2)cc1 113316524 CSTUGGRZBZEPNT-UHFFFAOYSA-N 297.373 3.826 30 20 CHED C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C 348931371 AYFREDQZRZWTMS-TYNCELHUSA-N 271.364 3.504 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)O[C@@H]1CC[C@@H](C#N)C1 179969524 UDKWIVAYGSAFGQ-KAEGKVQSSA-N 289.762 3.979 30 20 CHED CCc1cccc(OCCSc2cc(C#N)ccn2)c1 302964132 QVWJSWLXLANYMK-UHFFFAOYSA-N 284.384 3.687 30 20 CHED CC(C)(C(=O)O[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 179892897 HQYUHHDABPDVMU-SMDDNHRTSA-N 291.778 3.853 30 20 CHED N#C[C@@H](NC(=O)c1ccoc1)c1cccc(Cl)c1Cl 66394680 DXDHTDAHZBDEEY-LLVKDONJSA-N 295.125 3.581 30 20 CHED CCCCOc1cccc(Nc2ccc(C#N)cn2)c1 64915358 NSSGIAKGHHZFPU-UHFFFAOYSA-N 267.332 3.876 30 20 CHED Cc1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1C 174160941 IONIFRYYLLXCOR-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C=CCCCSCC(=O)N[C@H](C)c1ccccc1OC 117944658 PSERKUDTBVWYAI-CYBMUJFWSA-N 293.432 3.572 30 20 CHED C=CC1CCN(c2ncnc3sc(CC)cc23)CC1 301242381 KDRZHMXGNTZIFL-UHFFFAOYSA-N 273.405 3.656 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(N2CCCCC2)c1 117003176 DOQLSCYKBJQVQI-CQSZACIVSA-N 287.407 3.763 30 20 CHED CC(C)CCOCC/N=C(/N)Nc1cccc(C(C)C)c1 303888832 PFAGZRVDCNJELG-UHFFFAOYSA-N 291.439 3.599 30 20 CHED CCOc1cc(Oc2ccc(C#N)cc2C)ccc1[N+](=O)[O-] 301954284 KFPFVBIJJWQWFF-UHFFFAOYSA-N 298.298 3.966 30 20 CHED COc1cccc2c1CCN(c1ccc(Cl)cc1C#N)C2 302200001 UUBPNNGAUXLZFT-UHFFFAOYSA-N 298.773 3.783 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 69316765 AWDIPCSXVGVHFO-LBPRGKRZSA-N 281.783 3.877 30 20 CHED Cc1cc(Cl)c(C(=O)N(CC#N)C2CCCC2)cc1C 180828874 FFIYLEQBTFZDRJ-UHFFFAOYSA-N 290.794 3.865 30 20 CHED CCOc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 181979523 NPUCLKJTOUYYFM-AWEZNQCLSA-N 280.371 3.808 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1 31661411 QWXNDIVVZAYALI-UHFFFAOYSA-N 299.761 3.876 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 185249513 ZUQYGSIFPDJLFR-GFCCVEGCSA-N 293.794 3.583 30 20 CHED C=CCCC[C@H](C)NC(=O)c1sccc1OC(F)F 182652776 XWGAWCFTSFCBCT-VIFPVBQESA-N 289.347 3.824 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(Oc2ccncc2)c1 185536827 MJIFVGSQDDTJFE-UHFFFAOYSA-N 294.354 3.862 30 20 CHED C=CCN(C(=O)[C@@H]1CCO[C@@H](CCC)C1)c1ccccc1 182851415 FDOTVXLRTQTCMP-WBVHZDCISA-N 287.403 3.801 30 20 CHED C=CCOc1ccc(CNc2cccc(F)c2C#N)cc1 36138477 HFIKBHNPXBAGRA-UHFFFAOYSA-N 282.318 3.874 30 20 CHED C=CCOc1ccc(CN[C@H](C)CCCCN)cc1Cl 415010208 GBQNPJVRPNTNHU-CYBMUJFWSA-N 296.842 3.512 30 20 CHED COCC1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 414313302 OQPGNVKDPYXBDX-YVNUBYTISA-N 298.430 3.730 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccco1 412838122 JEBZTOQACUZUBC-INIZCTEOSA-N 283.371 3.516 30 20 CHED Cc1nc(-c2ccccc2)oc1C(=O)OCC1(CC#N)CC1 181761554 BXLJBOAZAKOSSG-UHFFFAOYSA-N 296.326 3.501 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCC[C@@H]2C2CC2)CC1 414195838 OKNHLCXHHAZEMR-ORBLRFAASA-N 260.425 3.875 30 20 CHED CCCCC[C@@H](NC(=O)NC[C@H](C)C#N)c1ccccc1 182640454 AYIXWRBYALWLHT-GDBMZVCRSA-N 287.407 3.767 30 20 CHED C=C[C@@H](CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 125603312 WYILQMRAYJPXTL-ZDUSSCGKSA-N 291.354 3.861 30 20 CHED COc1ccccc1CC(C)(C)Nc1ncc(C#N)cc1F 413187602 RVVXVUKVKYWKSW-UHFFFAOYSA-N 299.349 3.534 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cc(Cl)ccc1OC 182633942 VBBCECMHQASMIM-LBPRGKRZSA-N 295.810 3.752 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cccc(Cl)c2)o1 72059085 UPFWMTJJLDAXGF-FNORWQNLSA-N 290.702 3.616 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C 180015883 SEUPLSJUECPWKC-UHFFFAOYSA-N 298.390 3.529 30 20 CHED C=CC[C@@H](C)NC(=O)c1csc(Br)c1C 185446446 DSCISBPDVUWFIU-SSDOTTSWSA-N 288.210 3.513 30 20 CHED CO[C@H](CSCCCC1(C#N)CCOCC1)CC(C)C 419633319 PROAJVIAZJYADX-HNNXBMFYSA-N 299.480 3.881 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H]1CCOC2(CCC2)C1 414302074 NIJKPKMZOKZFCY-ZWKOTPCHSA-N 285.431 3.865 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(Cc1cccnc1)C1CC1 181110824 ATFGAQCGZAMLOZ-CQSZACIVSA-N 287.407 3.500 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H](C)CC 73445250 CVFSNEFLAQQXKR-SECBINFHSA-N 281.739 3.562 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2c(Cl)cnn2C)c1 122632072 QKZISINMVKDFQA-VOTSOKGWSA-N 274.751 3.586 30 20 CHED CCOc1cccc(/C=N/CCC[C@H]2CCCCO2)c1O 184306984 BMGZJPXLLMOHRO-COYFKBPASA-N 291.391 3.559 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(SCC)cc1 410140449 ALHJXBXGPVXFNL-ZDUSSCGKSA-N 263.406 3.883 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCC[C@@H](C)C1 411075014 XDJILOLLCUEPGJ-BXUZGUMPSA-N 284.359 3.526 30 20 CHED C=CCC1(C(=O)Nc2cc(Cl)ccc2O)CCC1 189658534 RYZLNQGBBIXGLM-UHFFFAOYSA-N 265.740 3.731 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)CC(C)(C)C#N)CC1 505128959 MKUGWFGJYFQTPF-KBPBESRZSA-N 264.413 3.647 30 20 CHED CCN(C/C(C)=C/c1ccccc1COC)C[C@@H](C)C#N 507586222 VWINIQFGNVABGA-KMPOOHAWSA-N 286.419 3.718 30 20 CHED C=C(C)[C@@H](NC(=O)CC[C@H](C)OC)c1ccc(F)c(F)c1 186040954 ZIECWFIUYAVIAN-MEDUHNTESA-N 297.345 3.513 30 20 CHED C=C(C)[C@H](NCc1cnoc1C)c1ccc(F)c(F)c1 189590121 WKMLXMQTPPRQJC-HNNXBMFYSA-N 278.302 3.668 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1ccc(CC#N)cc1 175131182 UBROBVYSTTURNA-CYBMUJFWSA-N 273.380 3.653 30 20 CHED Cc1cccc([C@@H]2CCCN2CCCC(C)(C)C#N)n1 159919548 QVWHBZRCHJVPKL-INIZCTEOSA-N 271.408 3.857 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccnc(Cl)c1 88154484 XBNXZQFZSBJDKV-UHFFFAOYSA-N 272.735 3.803 30 20 CHED Cc1cc(N=C(O)[C@@H]2C[C@@H]2C2CC2)cc2n[nH]cc12 329074623 PIEYNAIPOPDXIN-VXGBXAGGSA-N 255.321 3.505 30 20 CHED CN(Cc1ccccc1C#N)Cc1c(F)cccc1Cl 42364681 ZMMGJOSJGIWNKX-UHFFFAOYSA-N 288.753 3.983 30 20 CHED N#Cc1cccc(CN2C3CCCC2CCC3)c1F 611372211 PCCCSUHTQSVJPY-UHFFFAOYSA-N 258.340 3.604 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)[C@@H]1CCCC[C@H]1C 84095101 IOAIHAZKKHTOTK-DGCLKSJQSA-N 276.405 3.661 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(F)cc1Cl 192516589 CZYWCCFXMRKGGV-UHFFFAOYSA-N 268.719 3.685 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C1=CCCCCC1 131569916 SKUCFZFBAZHNMH-UHFFFAOYSA-N 287.334 3.667 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2c2ccccc2)c1Cl 429206083 SQEZZVDMTCDVCC-AWEZNQCLSA-N 283.762 3.948 30 20 CHED O/C(Cc1ccc2c[nH]nc2c1)=N/[C@H]1CC12CCCCC2 329488082 GXABLJKWMGCPJZ-HNNXBMFYSA-N 283.375 3.785 30 20 CHED CN(Cc1cc2ccccc2o1)C(=O)c1cc(C#N)cs1 84135483 AAKXOCZJNMUTLG-UHFFFAOYSA-N 296.351 3.638 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N1CCc2c(C#N)cccc21 421658076 RCLZIFPWJOLIMF-CZUORRHYSA-N 282.387 3.664 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(NC(C)=O)ccc1Cl 134979531 PHDZVZCYKNXIQQ-OAHLLOKOSA-N 294.782 3.839 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 42566808 WARQTDAKLCHBCN-NWDGAFQWSA-N 296.292 3.865 30 20 CHED C/C=C/C=C/C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 45501061 KNTQZUFEEFCHIX-VJOYGEABSA-N 268.360 3.600 30 20 CHED CCCCc1ccc(CC(=O)[C@@H](C#N)c2ccccn2)cc1 41493362 VPIIWUGEUFMEKV-KRWDZBQOSA-N 292.382 3.843 30 20 CHED C=CCC1(C(=O)NCc2cccc(OC(F)F)c2)CCC1 190766688 RFJRPDYXWSUVGW-UHFFFAOYSA-N 295.329 3.651 30 20 CHED N#Cc1cccnc1N1CC=C(c2ccc(Cl)cc2)CC1 81034300 WMXIABJQYWBHKN-UHFFFAOYSA-N 295.773 3.900 30 20 CHED CSc1ccc(CNCc2ccc(C#N)s2)s1 421352646 RFBDHTCPEUMLRA-UHFFFAOYSA-N 280.443 3.693 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2CCC[C@@H]2C)c1C1CC1 328951684 XIRBGGKBQUYBCO-RYUDHWBXSA-N 290.411 3.761 30 20 CHED CN(CCCOc1cccc(Cl)c1)[C@H]1CC[C@H](C#N)C1 429714043 FYJJWODGWQSZEZ-ZFWWWQNUSA-N 292.810 3.733 30 20 CHED O/C(=N/C[C@@H]1CCCOC1)Nc1cccc2ccsc12 328771355 GXOZESXAZWSNPU-NSHDSACASA-N 290.388 3.654 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 424751713 NJEGYRZAKTXUGJ-AWEZNQCLSA-N 289.419 3.592 30 20 CHED Cc1ccc2ccccc2c1CN1CCC(F)(C#N)CC1 510886305 DNPUWRJPZWXGMJ-UHFFFAOYSA-N 282.362 3.976 30 20 CHED C=CCC[C@H](C)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 382503692 LVQUUCUJAWBMIH-RRFJBIMHSA-N 296.455 3.624 30 20 CHED CC1(C)CC(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 334514248 GJQNGNZDTNOZTG-UHFFFAOYSA-N 294.398 3.610 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 426152809 IRAVGWASDIXWHJ-ZDUSSCGKSA-N 291.782 3.912 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 332683747 FQHLRMLHRGFNIJ-QLFBSQMISA-N 291.439 3.584 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCC(F)(F)C1 334960903 CPCLGBCHBFZHQL-LLVKDONJSA-N 278.302 3.631 30 20 CHED C=CCC(C)(C)c1nc(-c2ccnc(OC(C)C)c2)no1 426388647 HYXRQPTWWQFTAA-UHFFFAOYSA-N 287.363 3.773 30 20 CHED C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)c(F)c1 424287145 HEOAEOAVDMFDHZ-RLCCDNCMSA-N 272.367 3.784 30 20 CHED COc1ccc(F)cc1NCc1cn2ccccc2c1C#N 193474309 JSVZEQGTKYJJSS-UHFFFAOYSA-N 295.317 3.571 30 20 CHED N#Cc1ccc(NC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)cc1 337609897 VFPNTNFXJHFBIO-KKUMJFAQSA-N 283.375 3.506 30 20 CHED CCC(CC)[C@@H]1C[C@H](N/C(O)=N/[C@@H]2CC[C@@H](C)C2)CCO1 331241500 XTFMDSLMQYLUFU-MIGQKNRLSA-N 296.455 3.662 30 20 CHED C=CCCCCNCc1c(Cl)cccc1OC 383393156 LGHPJDYPAWSGKW-UHFFFAOYSA-N 253.773 3.795 30 20 CHED N#Cc1ccc(SCC(=O)c2ccc(Cl)s2)nc1 339997065 JWMGIUKCLRWMDU-UHFFFAOYSA-N 294.788 3.643 30 20 CHED CC(C)[C@H]1N(C(=O)c2ccc(CC#N)cc2)CC12CCCC2 334768184 AFGQUVCCXCAYQG-QGZVFWFLSA-N 296.414 3.793 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(c3c(F)cccc3F)CC2)C1 336527891 IGGWEQGXZNKNIH-OCCSQVGLSA-N 290.357 3.836 30 20 CHED N#Cc1cccc(NC/C=C\c2ccc(F)c(F)c2)c1 511909165 HTGPGTMZISGVJB-RQOWECAXSA-N 270.282 3.962 30 20 CHED C=C[C@H]1CCCCN1Cc1cn(-c2ccccc2)nc1C 426571716 VUXCPTNQWYEEJE-KRWDZBQOSA-N 281.403 3.721 30 20 CHED CC1(C)CCCN(C(=O)c2coc3ccccc23)[C@@H]1C#N 336141497 QDYABNFYLHWWEB-OAHLLOKOSA-N 282.343 3.587 30 20 CHED Cc1ccc2c(c1)CN([C@H](C)c1cccc(C#N)c1)CCO2 512257224 BSWYBDITBINIQF-OAHLLOKOSA-N 292.382 3.822 30 20 CHED COc1cc(CN[C@H]2CCCc3sccc32)ccc1C#N 235009494 LPZQHHPFRNTTIS-HNNXBMFYSA-N 298.411 3.796 30 20 CHED C=CCOc1ccc(CN2CC[C@@H](C)C2)cc1Cl 511974208 TVOLHPUZMHJPRY-GFCCVEGCSA-N 265.784 3.747 30 20 CHED CC[C@H](C(=O)N1CCC(C#N)CC1)C1CCC(C)CC1 336397537 MFHVDXIWPPGSHB-BCLQGDPASA-N 276.424 3.601 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1cccc(C#N)c1 438473286 DFSZROSZYPXKKJ-ZDUSSCGKSA-N 270.298 3.625 30 20 CHED C=CCCC(=O)NCc1cccc(Cl)c1Cl 523223072 JOSBCYSVNKMVLF-UHFFFAOYSA-N 258.148 3.576 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnn(CC(C)C)c1C 343525180 WKMTYACTOWEWRY-CYBMUJFWSA-N 292.427 3.714 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1c(F)cccc1Cl 435742652 WLYPDNSJHUEPOT-XHDPSFHLSA-N 283.774 3.550 30 20 CHED CCO[C@@H]1C[C@@H](NC[C@H](C)CCC#N)C12CCCCC2 602546706 KNCSSFBUKQLQDS-BZUAXINKSA-N 278.440 3.644 30 20 CHED C=CC[C@@H](C(=O)NCC1(C(F)F)CC1)c1ccccc1 348747383 OHDGSQGOYKXKCE-CYBMUJFWSA-N 279.330 3.508 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCC[C@@H](C(C)C)C2)c1 436466284 PGSKRVHGECUWOP-MRXNPFEDSA-N 270.376 3.633 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](C)c1ccco1 607482847 XIBZFTIDYSVCDM-OAHLLOKOSA-N 283.371 3.640 30 20 CHED CCN(CC#N)C(=O)c1cc2c(Cl)cccc2s1 604481128 JBRWKIYTWDSNBR-UHFFFAOYSA-N 278.764 3.540 30 20 CHED CC(=NOCc1cccnc1)c1cc2ccccc2o1 255925219 SZOQOQHNLUHMAV-UHFFFAOYSA-N 266.300 3.769 30 20 CHED CCN(CCCNC[C@@H](C)CCC#N)C1CCCCC1 602699235 OCCDHZNUTUPOIX-INIZCTEOSA-N 279.472 3.561 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccnn1CC 346867026 IYADOCAHLVCNAH-UHFFFAOYSA-N 298.390 3.513 30 20 CHED N#CCC1(CN2CC[C@@H](CSc3ccccc3)C2)CC1 602786524 QVULDZQSJRDOBH-OAHLLOKOSA-N 286.444 3.794 30 20 CHED C=C(CNC(=O)CCc1cccs1)c1ccccc1 345731146 RXZNHTFMLLLQHA-UHFFFAOYSA-N 271.385 3.510 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCC(CC)(CC)CC1 348008079 LUBYHWMBAFGGDL-OAHLLOKOSA-N 281.440 3.787 30 20 CHED C=CCCC1(C(=O)N[C@@H]2COc3cccc(Cl)c32)CC1 346256754 YVLSOGFXQLIVFG-GFCCVEGCSA-N 291.778 3.636 30 20 CHED CC[C@H](N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C)c1ccc(C#N)cc1 447581569 VFLKYKXWISUSNL-ZFVVBOAOSA-N 286.419 3.658 30 20 CHED COc1cccc(S[C@@H](C#N)Cc2ccccc2)c1 603454265 FYRNMCQVJANGCE-MRXNPFEDSA-N 269.369 3.922 30 20 CHED C[C@H]1SCCN(CC2(CC#N)CC2)[C@H]1c1ccccc1 602778516 GYOLFRUVWYZLAQ-GDBMZVCRSA-N 286.444 3.859 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@H](c2ccccc2)C1 529422077 JMZBASYQOUCRCD-INIZCTEOSA-N 284.403 3.723 30 20 CHED N#Cc1ccc(SCCc2ccc3c(c2)CCO3)c(F)c1 525630013 VQNZAJFYSJCJEJ-UHFFFAOYSA-N 299.370 3.967 30 20 CHED N#CCCN(C/C=C\c1ccc(F)cc1)Cc1ccccn1 255564653 YMEDZARSKWZJAC-HYXAFXHYSA-N 295.361 3.650 30 20 CHED CC(=O)Nc1cccc(N[C@H](C#N)Cc2ccccc2)c1C 603585113 IFDVPBJIQPCNPU-INIZCTEOSA-N 293.370 3.500 30 20 CHED C=CCN1CCC(N[C@@H](C)Cc2coc3ccccc23)CC1 449120625 DRMMJRWBYRJFBF-HNNXBMFYSA-N 298.430 3.604 30 20 CHED Cc1cccc(C)c1CCNC1CCC(C)(C#N)CC1 449184401 FYSKWBIQRDDSHK-UHFFFAOYSA-N 270.420 3.908 30 20 CHED CC(C)N(CCC#N)C(=O)c1cncc(-c2ccccc2)c1 532326784 BNQVOTKXVDSIFG-UHFFFAOYSA-N 293.370 3.513 30 20 CHED C=CCCC(=O)N1CCCCC[C@H]1CC(=O)c1ccco1 268396900 DYRKRTSZAMTEFF-AWEZNQCLSA-N 289.375 3.590 30 20 CHED C=C(CNCc1ccn(-c2ccccc2)n1)c1ccccc1 358516149 OAAGPPBCIJMZIU-UHFFFAOYSA-N 289.382 3.675 30 20 CHED CCC(CC)[C@H](C)C(=O)N(CC#N)c1ccccc1 534133878 ZKAOLZRSWAUFHT-ZDUSSCGKSA-N 258.365 3.615 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(O)c2ccccc12)OCC 535205674 JHDCJHZALUNROC-KRWDZBQOSA-N 299.370 3.855 30 20 CHED C=CCn1c(C)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 351071317 CQNTWWAQWOAODF-LBPRGKRZSA-N 296.374 3.716 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(-n2cccn2)c1 537235616 IMHMQSZOSWOMNX-AWEZNQCLSA-N 298.390 3.739 30 20 CHED C=CCOc1ccc(CN[C@H](CC)[C@H](O)CC)cc1Cl 449636594 DQVLVTCEEAHXHP-HUUCEWRRSA-N 297.826 3.544 30 20 CHED C[C@H](C1CCC1)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 356692286 DKGZDKRNOKWHRV-RHSMWYFYSA-N 284.403 3.721 30 20 CHED CC[C@H](N[C@@H](C)Cc1ccncc1)c1ccc(C#N)cc1 447585044 IWGUYACPRIETDC-KSSFIOAISA-N 279.387 3.625 30 20 CHED CC1(C)Cc2cccc(NCc3ccccc3C#N)c2O1 530436535 JVHINLSLZFAVDI-UHFFFAOYSA-N 278.355 3.884 30 20 CHED N#Cc1csc(CNC2(Cc3ccccc3)CCC2)c1 532119990 KLIBJVGPMNCAJA-UHFFFAOYSA-N 282.412 3.875 30 20 CHED C=CCc1ccccc1OCCCSCCOC 447317715 NXYYJULERWLDTN-UHFFFAOYSA-N 266.406 3.564 30 20 CHED C=C(CC)CN1CCn2cccc2[C@H]1c1ccccc1 536888702 DTEQYRLILIKWEN-GOSISDBHSA-N 266.388 3.859 30 20 CHED Cc1ccccc1O[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1 539494694 MHHFDDMEXVPBFP-JKSUJKDBSA-N 294.398 3.985 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2ccc(OC(F)F)cc2)C1 618562188 FNBIGHZWVRZXLK-UONOGXRCSA-N 294.345 3.502 30 20 CHED C=CCCC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 263720364 YDJFUXSCMVFDID-SNVBAGLBSA-N 271.282 3.849 30 20 CHED C[C@@H](CCN1CCC[C@@](C)(C#N)C1)OCc1ccccc1 616113722 FWSCNZSVWBSMMM-WMZOPIPTSA-N 286.419 3.607 30 20 CHED N#Cc1cc(F)ccc1NCc1ccc2c(n1)CCCC2 443964477 PPQDBUAJWAMKQM-UHFFFAOYSA-N 281.334 3.583 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCOc2ccccc21 352901238 LNCGHYDLXVHYMI-UKRRQHHQSA-N 288.391 3.554 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(SC(F)F)cc1 267265517 RALXVYWXQWFJLI-LLVKDONJSA-N 298.358 3.669 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C2CCCCC2)C1 618186648 PWDSMPBSJDNOQZ-FUHWJXTLSA-N 293.451 3.644 30 20 CHED CCC1(C)CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 264258444 QRYFRTKNVZOGPE-UHFFFAOYSA-N 285.391 3.911 30 20 CHED C[C@H](NC(=O)c1cccc2[nH]ccc12)c1cccc(C#N)c1 610473931 GQZWISPHQIEKIP-LBPRGKRZSA-N 289.338 3.531 30 20 CHED C=C1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1 354139521 SOCYRHLYCAMJIA-UHFFFAOYSA-N 280.371 3.644 30 20 CHED C[C@H](NC[C@@H](C)Oc1ccccc1)c1ccc(C#N)c(F)c1 538508887 KAPWDAFARRLCQX-KGLIPLIRSA-N 298.361 3.815 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 617788417 IQLNGHQXPAZRAY-GFCCVEGCSA-N 293.794 3.777 30 20 CHED C[C@@H](CC(=O)N(C1CC1)C1(C#N)CCC1)c1ccccc1 357387501 WEWFIBDHDRQPMJ-AWEZNQCLSA-N 282.387 3.617 30 20 CHED C=C(C)COc1cc(CN2C[C@H](C)C[C@H]2C)ccc1OC 539820689 CZGIOUVGHZHCEN-HUUCEWRRSA-N 289.419 3.880 30 20 CHED C=CC(C)(C)C(=O)NCc1cc(Br)ccc1C 451017917 QVWMYMNRDBVDKG-UHFFFAOYSA-N 296.208 3.586 30 20 CHED C[C@H](NC(=O)N1CC[C@@H](C)C(C)(C)C1)c1cccc(C#N)c1 612771817 UVMPZTKWCNXHCL-KGLIPLIRSA-N 299.418 3.697 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)nc3ccccc23)C1 617789629 OWUXJXRIZDPVKT-OAHLLOKOSA-N 294.398 3.972 30 20 CHED C=C(CC)CN[C@H]1CCSc2ccc(F)cc21 453373326 SLWSQLPESCRNDG-ZDUSSCGKSA-N 251.370 3.918 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(Cl)c(OC)c1 452138977 LLVQVJQRJBKWNM-UHFFFAOYSA-N 295.810 3.610 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@@H](C)c1cccc(C#N)c1 611184107 FZKHRQJAXNOUST-STQMWFEESA-N 272.392 3.808 30 20 CHED C=CC(C)(C)CNC(=O)Cc1c[nH]c2ccc(Cl)cc12 452771924 CARXWGPEYGLAPY-UHFFFAOYSA-N 290.794 3.692 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)Cc1ccccc1C 538714712 RXJSZBAMLKITQA-GDBMZVCRSA-N 274.408 3.580 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Sc1ccc(OC)cc1 452775784 IWSPPFSJHJNUQA-GFCCVEGCSA-N 293.432 3.504 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1ccc(C)cc1 364310528 HZWGKKDHVQBUDZ-QGZVFWFLSA-N 269.388 3.852 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc2sccc2c1 610756062 BWFJNKIFNAZDDN-ZDUSSCGKSA-N 272.373 3.569 30 20 CHED C=C(CC)CNC(=O)N1CCCCC[C@H]1c1ccco1 459090465 ZPTOTYPRFNCOGE-AWEZNQCLSA-N 276.380 3.873 30 20 CHED C=CCCC1(C(=O)Nc2ccccc2COC)CC1 361580897 DDGLMCZHWPCFCY-UHFFFAOYSA-N 259.349 3.518 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)[C@H]2C2CC2)CCCC1 452151693 LQPUYCUKGJBPRP-CQSZACIVSA-N 261.409 3.770 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1sc(C(C)C)nc1C 453360722 PQBLIYAYVPRFQO-DGCLKSJQSA-N 282.453 3.553 30 20 CHED C=CCC1(C(=O)Nc2cccc(CC#N)c2)CCCC1 456727276 INFOAIJXPCTVMJ-UHFFFAOYSA-N 268.360 3.828 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)CSCc1ccccc1 456815209 XCEXOIOARXUTQA-AWEZNQCLSA-N 277.433 3.638 30 20 CHED CC(C)c1nc2ccc(Nc3cc(C#N)ncn3)cc2s1 617942327 XTCNMYOGEDJNIM-UHFFFAOYSA-N 295.371 3.825 30 20 CHED CC(C)(CC#N)CNCc1ccc(C(F)(F)F)cc1 459693568 NHNHPHISYGFWNS-UHFFFAOYSA-N 270.298 3.735 30 20 CHED CC1(C#N)CN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 459595367 MIVWYSIHRFYXCY-UHFFFAOYSA-N 288.700 3.704 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1cccc(F)c1 455527651 VOIUGPCPECIPQP-OAHLLOKOSA-N 276.355 3.638 30 20 CHED C=CCC1(c2nc(-c3ccnc(OC)c3)no2)CCCC1 453028280 BWUDFVOIATUOBR-UHFFFAOYSA-N 285.347 3.528 30 20 CHED N#CCCCC(=O)Nc1nc(/C=C/c2ccccc2)cs1 360248977 BIBZUVKQPYRCSC-MDZDMXLPSA-N 297.383 3.946 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc(Cl)cc1 451604884 IWURIRNEIPFVAC-ZNMIVQPWSA-N 265.784 3.724 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cn1)C1CCCCC1 548862786 MSESMIZVQQAGKL-UHFFFAOYSA-N 285.391 3.528 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1F 455089117 IUUKBGWDXLSIRH-JKSUJKDBSA-N 290.382 3.665 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCOc2c(F)ccc(F)c21 361219534 FJZVRPSDBFPXAU-LRDDRELGSA-N 295.329 3.507 30 20 CHED C[C@H](NC(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)s1 457757307 XFMOKNTZQLNWPX-VIFPVBQESA-N 299.827 3.654 30 20 CHED C=C(CC)CN[C@@H](c1ccc2nc(O)oc2c1)C(C)C 453360808 MXPKQYIAZROYEO-OAHLLOKOSA-N 274.364 3.786 30 20 CHED CC(C)(C#N)CCN1CC[C@H](c2c(F)cccc2F)C1 546690660 SNLSNZRSECRHSC-LBPRGKRZSA-N 278.346 3.694 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1CSC 455135198 IQSPHIATTIEFIU-UHFFFAOYSA-N 264.394 3.637 30 20 CHED CCS[C@H](C)c1noc(-c2ccc(/C=N/OC)cc2)n1 274007335 RSCDVBQTVOJTGA-KXUVPBGPSA-N 291.376 3.531 30 20 CHED N#CCc1ccc(CNc2ccc([C@@H]3CCOC3)cc2)cc1 453114297 GDSFHOCEXBIAIE-GOSISDBHSA-N 292.382 3.869 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@H](C)c1c(F)cccc1F 274305286 VGOPSWGNSLIORG-WDEREUQCSA-N 267.319 3.744 30 20 CHED Cc1cc2cc(NC(=O)N3CCC(CC#N)CC3)ccc2[nH]1 541972626 NZHBORGFLIAZFU-UHFFFAOYSA-N 296.374 3.634 30 20 CHED N#Cc1ccc(OCCNc2cccc3cc[nH]c23)cc1 548467996 QYSGVESVSKMSBN-UHFFFAOYSA-N 277.327 3.530 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1cccnc1 369754088 INDKEZVUMOJOOT-ZBFHGGJFSA-N 287.407 3.673 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)Cc1ccc(F)cc1F 361700145 UVIAHOTWKCKDKT-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C=CCOCCCN[C@H](C)c1ccccc1OC(C)C 548751886 RDNDKRZDSKNFRA-OAHLLOKOSA-N 277.408 3.717 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)OCC 621206777 CEJMRFIVYOUWNZ-HRCADAONSA-N 279.424 3.539 30 20 CHED C=CC(C)(C)CNC(=O)c1csc2ccccc12 452778622 REJZXWKJKVRPRU-UHFFFAOYSA-N 259.374 3.843 30 20 CHED C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)CC12CCC2 271248618 HBEGYERAZNQDQK-CYBMUJFWSA-N 283.375 3.602 30 20 CHED CCC[C@@H](NC(=O)c1ncc(C#N)cc1C)c1ccccc1 549513839 APDDFRZBHHFJGM-MRXNPFEDSA-N 293.370 3.533 30 20 CHED N#CCCCNCC(c1ccccc1)c1ccccc1 272409222 KUBGISQNDOLRLX-UHFFFAOYSA-N 264.372 3.712 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1cccc(N(C)C)c1 620856889 DWLLSWFYKPYBRP-UHFFFAOYSA-N 288.435 3.546 30 20 CHED C[C@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@H]1c1ccccc1 377001608 JHTJBVDPCWWSPI-GOEBONIOSA-N 299.418 3.719 30 20 CHED C=CCCNCc1cc(Cl)c(OCC=C)c(OC)c1 623563827 LGHPPOIJSPFKSX-UHFFFAOYSA-N 281.783 3.579 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnc2ccccc2c1C 466531993 GXOJKZDYPQUFLF-CYBMUJFWSA-N 268.360 3.628 30 20 CHED Cc1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1F 544411632 ALFTYNBDWDCPBY-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1(C)C 544789098 TYTTXPWZWQAROU-LLVKDONJSA-N 289.354 3.597 30 20 CHED C=CCC1(NC(=O)[C@@H](CCC)CC(C)C)CCOCC1 622939665 AYBGQOGZYFRYMX-HNNXBMFYSA-N 281.440 3.690 30 20 CHED Cc1ccc(CN(C)C(=O)[C@H](C)c2cccc(C#N)c2)cc1 461727882 HGRXISZGQQBEMV-OAHLLOKOSA-N 292.382 3.629 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 284186429 LILRVUBUAHOITF-DJIMGWMZSA-N 282.387 3.750 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccnc2ccccc12 622980909 OYRGGVZKKCGDML-UHFFFAOYSA-N 268.360 3.709 30 20 CHED C=CCCNC(=O)Nc1ccc(C(F)(F)F)c(F)c1 626621440 ZWRFEOPOLZAYQQ-UHFFFAOYSA-N 276.233 3.542 30 20 CHED C=C[C@H](C)NC(=O)NC(c1ccccc1)c1ccccc1 464758689 YKIZSGKEFZYEDI-AWEZNQCLSA-N 280.371 3.650 30 20 CHED C/C(=C\c1ccccc1OC(F)F)CNCCCCC#N 289613857 VUZLLDQICKMCQN-ACCUITESSA-N 294.345 3.975 30 20 CHED C=C(C)CCc1noc(CCO[C@@H](C)CC(C)C)n1 285270821 YSNZLRBPFKOCKP-ZDUSSCGKSA-N 266.385 3.572 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@H](CCC)C1 466857788 MLXNLIZLRKBEPZ-HNNXBMFYSA-N 287.403 3.904 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC1(C)C 288109263 VKLRGLZSARJRFW-MRXNPFEDSA-N 299.418 3.667 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H](CC(C)C)C1 466378497 NWMWZYDKIGCIJR-CABCVRRESA-N 266.429 3.809 30 20 CHED CC(C)C[C@@H](NCc1ccc(C#N)cn1)c1ccccc1 554068062 SYOBTHKFLRWWMT-GOSISDBHSA-N 279.387 3.830 30 20 CHED CCCCCCCCCC(=O)N(C)c1cnccn1 289016843 NSWBFPCXHXNPPH-UHFFFAOYSA-N 263.385 3.580 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1ncc(C#N)cc1C 551522746 VKANVIFHZXVQGL-CQSZACIVSA-N 287.407 3.598 30 20 CHED C=CCC[C@@H](NCc1cncc(OC)c1)c1ccccc1 290131769 ZNFXHAMMIZLGIB-GOSISDBHSA-N 282.387 3.887 30 20 CHED C#C[C@@H](NCc1ccc(N(C)c2ccccc2)nc1)C(C)C 809685562 AOJZGFSKNUNUOO-GOSISDBHSA-N 293.414 3.597 30 20 CHED Cc1[nH]c(C=NNc2ccc(C(C)(C)C)cc2)cc1C(=O)O 800815603 HCYMTOPCJSUXAG-UHFFFAOYSA-N 299.374 3.765 30 20 CHED C[C@H](SCCO[C@H](C)C#N)c1c(F)cccc1F 801656937 CPZALGPVRSZUPK-ZJUUUORDSA-N 271.332 3.688 30 20 CHED C#Cc1ccc(C(=O)O[C@H](C)c2ccccc2SC)nc1 800023941 KLTBNELPFXOCRC-GFCCVEGCSA-N 297.379 3.703 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(COC(C)C)cc1 294638634 UVJXVMWLCUDDNY-UHFFFAOYSA-N 261.365 3.762 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCc2cc(C)ccc21 472951074 MBQZFQHSQOLVGW-MRXNPFEDSA-N 272.392 3.638 30 20 CHED C=CCCCCCCNC(=O)N[C@@H]1CCC(F)(F)C1 805213602 FUYQHXVAUFOVAB-GFCCVEGCSA-N 274.355 3.610 30 20 CHED C=CCC[C@H](CCC)NCc1cccc(OC)c1O 809740353 VGKUVGKDAALXPW-AWEZNQCLSA-N 263.381 3.625 30 20 CHED CC[C@H]1Cc2ccccc2CN1c1nccc(C#N)c1Cl 565262213 HYTJRIYZRIKEPC-HNNXBMFYSA-N 297.789 3.948 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCCC[C@@H]1CC(C)C 642711676 OYOCLCAGSMPIDD-OAHLLOKOSA-N 290.455 3.822 30 20 CHED C=CCCCCNC1(Cc2cccc(F)c2)CCOCC1 567684785 LPODMAKPAVJSOV-UHFFFAOYSA-N 291.410 3.863 30 20 CHED Cn1cnc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)c1 800792692 GUFUTIRIJANVGV-CSKARUKUSA-N 288.350 3.568 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc([C@H]2CCOC2)cc1 294214300 OLYKBHSPTBRUPJ-WMLDXEAASA-N 273.376 3.731 30 20 CHED N#CCCCC(=O)Nc1ccc(CCC(F)(F)F)cc1 291859118 HDPAYVIOQRJOSG-UHFFFAOYSA-N 284.281 3.814 30 20 CHED Cc1cc(C)c(C#N)c(N(C)Cc2cc3ccccc3o2)n1 474184452 QBNGUTCOQWZKOT-UHFFFAOYSA-N 291.354 3.953 30 20 CHED C#CCOc1ccccc1NC(=O)c1sccc1Cl 803122552 ZVAHUIHDSMOYRG-UHFFFAOYSA-N 291.759 3.666 30 20 CHED C=C(C)CSCC(=O)N[C@H](C)CCCC(C)C 477008208 HOUDXAIIYNLRBX-CYBMUJFWSA-N 257.443 3.627 30 20 CHED C=CCOCCCN1CCC(Cc2cccc(F)c2)CC1 470721989 FASBCDNKJDUURC-UHFFFAOYSA-N 291.410 3.673 30 20 CHED C[C@H]1CC[C@@H](C=NNc2ncnc3ccsc23)C1 800814769 XPIWPIMWSMVMPI-VHSXEESVSA-N 260.366 3.525 30 20 CHED C=CCC1(C(=O)N2CC[C@H]3[C@H](C(F)(F)F)[C@@H]32)CCCC1 649043106 JOZKHXIMDNNGIU-SDDRHHMPSA-N 287.325 3.532 30 20 CHED CC(=NOCCC1CC1)c1ccc(OC(F)F)cc1 814247149 TTWAFCFWJUXHBP-UHFFFAOYSA-N 269.291 3.829 30 20 CHED Cc1cccc2cc(C(=O)OC3(CC#N)CCC3)oc12 810859319 IPMZVBWODLSJHU-UHFFFAOYSA-N 269.300 3.734 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(F)c(F)c2F)C1(C)C 814944160 TXDPVOHSSQCOTH-LLVKDONJSA-N 286.297 3.707 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNC[C@@H]1CCSC1 811661117 ZHMOADGHLQWNOJ-FRRDWIJNSA-N 254.443 3.531 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=Cc2ccc(Cl)o2)o1 814821704 GXRBSHNOQUNIPZ-UHFFFAOYSA-N 292.726 3.536 30 20 CHED C=CCn1cccc1C(=O)N1CCCC[C@H]1[C@H](C)CC 488735154 NHHFLQZCDCEJJZ-CABCVRRESA-N 274.408 3.715 30 20 CHED C#Cc1ccccc1CC(=O)N(C)C1CCC(C)(C)CC1 810501538 YXDJYVCDAPYQQY-UHFFFAOYSA-N 283.415 3.638 30 20 CHED N#CCCCC(=O)OCc1cc(Cl)cc(Cl)c1 812617712 UPMMRLJKIGCVTD-UHFFFAOYSA-N 272.131 3.730 30 20 CHED Fc1ccc(NN=Cc2ccc3oncc3c2)c(F)c1 814686505 JPZYRYCDFNQVDZ-UHFFFAOYSA-N 273.242 3.552 30 20 CHED CC[C@H]1CC[C@H](C)N1Cc1ccc(Cl)cc1C#N 480862146 BWZDBKYHXWMSEF-NHYWBVRUSA-N 262.784 3.975 30 20 CHED c1ccc2[nH]c(NN=C3CCCc4sccc43)nc2c1 814709345 ZYWFDSCIVZRXSU-UHFFFAOYSA-N 282.372 3.777 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(c3cccc(F)c3)CC2)C1 815058759 SENKMXUQVYWMQH-SUMWQHHRSA-N 272.367 3.697 30 20 CHED CC(C)(C)c1cnc(C=NNc2cccc(Cl)n2)s1 814939575 WCBBQVVBSHDRTC-UHFFFAOYSA-N 294.811 3.935 30 20 CHED C#C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 811949626 JZYHQVFXPZWIHB-DLKVLKDVSA-N 287.790 3.567 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](c1ccco1)N(C)C 657821470 NFZLBSBDIZDBSE-PMPSAXMXSA-N 276.424 3.607 30 20 CHED COc1ccc(C)cc1N[C@@H]1CCc2ccc(C#N)cc21 810233461 KWGBUXMNHIOZBQ-MRXNPFEDSA-N 278.355 3.975 30 20 CHED C[C@@H]1[C@@H](CNC(=O)C2(C#N)CCCCC2)CCC[C@H]1C 482705332 NLCXNRIFLSYDIQ-QLFBSQMISA-N 276.424 3.649 30 20 CHED C=CCNC(=O)c1ccccc1NCCc1ccc(C)cc1 488049744 QIGRSSLQNSDNPZ-UHFFFAOYSA-N 294.398 3.565 30 20 CHED CC(Cc1cccs1)=NNc1ccc(C#N)cc1 729637868 WEVGBYMDJMMIQB-UHFFFAOYSA-N 255.346 3.650 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1cccc(C2CC2)c1 814698112 QXRIESBYRGHEEX-UHFFFAOYSA-N 286.766 3.844 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC[C@H]2C)c(C)c1 729141052 SWUDOLKWPKDLKJ-LLVKDONJSA-N 275.421 3.766 30 20 CHED C=CCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1C(C)C 726654380 BOLNSHBPFYYRGF-ZDUSSCGKSA-N 289.375 3.646 30 20 CHED C=CCC(CC=C)C(=O)Oc1cc(Cl)ccc1C(=O)O 825664510 CKGZERAFOKIBEN-UHFFFAOYSA-N 294.734 3.712 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(C#N)c([N+](=O)[O-])c1 574682819 DKSUFYHSOJOQHM-INIZCTEOSA-N 293.326 3.874 30 20 CHED C=C(C)COC(=O)c1ccc(-c2ccsc2)nc1C 726229332 BZGDETFXCHRQIK-UHFFFAOYSA-N 273.357 3.851 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ccc(-c2ccco2)cc1F 490494491 DBLWZBSNYNMCAA-SNVBAGLBSA-N 287.294 3.509 30 20 CHED C#CCCNc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 494066025 URBZQXSLRYGANB-ZDUSSCGKSA-N 288.391 3.708 30 20 CHED CON=C(CCc1ccccc1)Cc1ccccc1 729143257 LOTNFMWZEPHLDZ-UHFFFAOYSA-N 253.345 3.864 30 20 CHED Cc1sc(NC(=O)CCCCCC#N)c(C#N)c1C 588815040 GRSPWDVBOXJXFR-UHFFFAOYSA-N 275.377 3.649 30 20 CHED CN(C(=O)/C=C/c1cccc(F)c1)c1ccc(C#N)cc1F 729654360 SVONKWWWMVRQJZ-SOFGYWHQSA-N 298.292 3.513 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cncn2C(C)C)c1 901466830 BJYHMBFXPXQZPH-CMDGGOBGSA-N 284.359 3.759 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1cccc(C#N)c1 903047277 KVGJMMMGKZKQIS-LJQANCHMSA-N 289.382 3.713 30 20 CHED CCCSCC(C)=NNc1ccc(F)c([N+](=O)[O-])c1 901219549 FXHLYPNQPKCGSW-UHFFFAOYSA-N 285.344 3.665 30 20 CHED Cc1nc(C)c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 589254900 OZCCGKUUGXLXRG-IAGOWNOFSA-N 295.386 3.563 30 20 CHED C=CCOc1ccc(CNCc2cc(C)ccc2NC)cc1 902556844 FOZBQNHAPSLOLA-UHFFFAOYSA-N 296.414 3.891 30 20 CHED C=CCCCOC(=O)/C=C(\C)c1ccccc1OC 735533067 KQFFQNRXPBJMFF-OUKQBFOZSA-N 260.333 3.608 30 20 CHED C=CCNC(=O)NCc1ccc(-c2ccccc2)c(C)c1 490917977 ZDASQOGTYQAMLB-UHFFFAOYSA-N 280.371 3.647 30 20 CHED Cc1nc(C#N)c(NN=C2CCC[C@H]2Cc2ccccc2)o1 735614242 RBCVWSLZYIIYPS-AWEZNQCLSA-N 294.358 3.665 30 20 CHED CC(C)CCC[C@H](C)NC(=O)CCCCCC#N 588269984 PYSGVRBVDFSNJD-AWEZNQCLSA-N 252.402 3.791 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)Cc1ccc(C)s1 737440186 FEUHNVMPFSHXGW-MUOOZZNISA-N 289.400 3.821 30 20 CHED CCN(C(=O)N1CCC(c2ccc(C#N)cc2)CC1)C(C)C 907502196 QHILMKZPMZLDDI-UHFFFAOYSA-N 299.418 3.588 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C\c2cncn2C)c1 901507022 SEWDUJMSYBDQAH-FPLPWBNLSA-N 268.360 3.515 30 20 CHED O=C(/C=C\c1ccc(-n2cccn2)cc1)c1sccc1O 588598943 LAAFECBWMVSTJT-DAXSKMNVSA-N 296.351 3.536 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2nccn2-c2ccccc2)cc1 588578389 VIEKEVAKUYRTEL-KHPPLWFESA-N 299.333 3.640 30 20 CHED CC#CCCCC(=O)Nc1cccc(F)c1Cl 581394419 JVHDGLPIJOSBHK-UHFFFAOYSA-N 253.704 3.611 30 20 CHED N#CC1(CN[C@H]2CC3(CCC3)Oc3ccccc32)CCC1 903030727 FDMSCFYIUNBWAM-HNNXBMFYSA-N 282.387 3.716 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1cncn1C(C)C)CO2 901477123 HAZSUHKYCPVTOV-VGOFMYFVSA-N 296.370 3.740 30 20 CHED CC[C@H]1CCCC1=NNc1ccc(C(=O)O)c(F)c1 835009854 FSFOXPSEAXSGBP-VIFPVBQESA-N 264.300 3.502 30 20 CHED CCC(CC)NN=Cc1ccc(Br)s1 734366092 DZTZZZMLBBFXGK-UHFFFAOYSA-N 275.215 3.623 30 20 CHED CC(C)(C)C#CC(=O)N[C@](C)(Cc1ccccc1)C1CC1 837693748 WANQXKULMMDIIB-LJQANCHMSA-N 283.415 3.564 30 20 CHED CON=Cc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 733738440 KRIODXHOOVZFSZ-UHFFFAOYSA-N 293.326 3.692 30 20 CHED C/C(=C\C(=O)Nc1cccc(CC#N)c1)C(C)(C)C 837072213 SCKBMEDBGNTBRG-ZRDIBKRKSA-N 256.349 3.684 30 20 CHED C[C@@H]1Cc2ccccc2N(Cc2ccc(OCC#N)cc2)C1 731213095 HWUUOOMHSFXZOV-OAHLLOKOSA-N 292.382 3.788 30 20 CHED CC[C@@H]1CCCC[C@H]1/N=C\c1cccc(OC)c1O 915113240 RYMSQZVYNVQMEU-NJPOPAGRSA-N 261.365 3.789 30 20 CHED C=C(CNC(=O)c1cc2ccccc2n1C)c1ccccc1 673341619 JKOBWKUECUDVNX-UHFFFAOYSA-N 290.366 3.622 30 20 CHED Cc1c(-c2ccc([C@@H](C#N)C(C)C)cc2)cnn1C 592989133 KRZRVMAAUAVGTL-HNNXBMFYSA-N 253.349 3.659 30 20 CHED N#CCCCCCC(=O)N1CC[C@@H]1c1ccc(F)cc1 598099609 HOTXNFCNIYLLAC-OAHLLOKOSA-N 274.339 3.573 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(Cl)ccc2F)C1 839043577 KEWFXWADWBMXSA-MWLCHTKSSA-N 281.714 3.718 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1nc(-c2ccccc2)no1 748228112 XTJSZYQSEILMJU-LBPRGKRZSA-N 286.331 3.697 30 20 CHED CCC#C[C@H](C)Sc1nnc(NCc2ccco2)s1 677131517 NXEHQPVANSGZHD-JTQLQIEISA-N 293.417 3.637 30 20 CHED Cc1c(Cl)cnc(N2C[C@H](C)C(F)(F)[C@@H](C)C2)c1C#N 599118818 PZFAVKVKLXWDGV-IUCAKERBSA-N 299.752 3.643 30 20 CHED Cc1cc(C)cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 839044319 PVMMUTPOTQVUHJ-HIFRSBDPSA-N 257.333 3.543 30 20 CHED Cc1cc(C#N)ccc1COC(=O)/C=C/c1ccccc1 748905554 BMFCSLMNIDUGAD-CSKARUKUSA-N 277.323 3.623 30 20 CHED C/C=C\COc1ccc(CCC(C)=NOCCOC)cc1 748789246 DZKXRBAACROCRG-QJPXQYEWSA-N 291.391 3.613 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(CC#N)c2)C1(C)C 590884353 QENVUGRNEOEETR-HOTGVXAUSA-N 282.387 3.930 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC3(C=Cc4ccccc4O3)CC2)C1 595876296 BACACNSVNCRILT-WBVHZDCISA-N 294.398 3.619 30 20 CHED CCN(C(=O)c1cc2c(s1)CCCCCC2)[C@H](C)C#N 598352926 GKYWYFRMARSPMD-GFCCVEGCSA-N 290.432 3.781 30 20 CHED N#CCCCOC(=O)COc1ccc(-c2ccccc2)cc1 916599139 HLHWGHRFVVYWHR-UHFFFAOYSA-N 295.338 3.579 30 20 CHED CCCCCCCCC(=O)N1CCC(CC(=O)OC)CC1 918397889 SSRUQWDSMJKIES-UHFFFAOYSA-N 297.439 3.539 30 20 CHED C#CCOc1ccc(C(=O)N(CC)[C@H]2CCCC[C@H]2C)cc1 741553329 JEIUWQMNBWPQBG-QAPCUYQASA-N 299.414 3.739 30 20 CHED CCC(C)(C)C1CCC(NC[C@H](O)CC(C)(C)C#N)CC1 598705131 ZBRWTGJJEQAJIA-UYSNPLJNSA-N 294.483 3.872 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1oc(C(C)C)nc1C#N 745614069 ZCDGZYVIRGEIFA-UHFFFAOYSA-N 294.358 3.741 30 20 CHED C[C@]1(C(=O)OCC2(C#N)CCCC2)C[C@@H]1c1ccccc1 842328843 FPDPFHGKKXRHDT-WBVHZDCISA-N 283.371 3.807 30 20 CHED CCOc1cccc(/C=N\CCC2(CSC)CC2)c1O 849169806 GTQYUHCUEXZPOO-BOPFTXTBSA-N 293.432 3.743 30 20 CHED N#CCCN(Cc1cc(F)ccc1OC(F)F)CC1CC1 595331871 GHBXBACGJOCITD-UHFFFAOYSA-N 298.308 3.553 30 20 CHED CC[C@H](C)[C@H](C)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940385 CMTMEQAVCWGBBV-NHCYSSNCSA-N 276.405 3.879 30 20 CHED C=CCCS(=O)(=O)NC(C)(C)c1ccc(C(C)C)cc1 675755695 QGKZSOZVIMCUKA-UHFFFAOYSA-N 295.448 3.541 30 20 CHED CCC(C#N)(CC)c1nc([C@@H]2CCCCS2)no1 599153285 UDNFYDOQBSHHIC-JTQLQIEISA-N 265.382 3.609 30 20 CHED CCN(CCO)N=C(C)Cc1ccc(-c2ccccc2)cc1 842534385 NUVQYPPEWAFNJS-UHFFFAOYSA-N 296.414 3.586 30 20 CHED COc1ccc([C@@H]2CCCN2CCC(C)(C)C#N)cc1F 595754198 WQJCJBAJCAKMMS-HNNXBMFYSA-N 290.382 3.911 30 20 CHED CCC(=NNc1ncnc2sccc12)[C@H]1C[C@@H]1C 841615045 UZHGXIYWWDBKDF-WPRPVWTQSA-N 260.366 3.525 30 20 CHED Fc1ccc(/C=C\C=NNc2ccc(Cl)nc2)cc1 747764898 UXAGQWCQCLWFKZ-JFVURICHSA-N 275.714 3.985 30 20 CHED COc1cc(C)ccc1[C@@H](C)NCC(C)(C)CC#N 591243105 WCHDVLZPXDRZRY-CYBMUJFWSA-N 260.381 3.594 30 20 CHED Cc1cccc(CC2CN(Cc3ccc(C#N)cc3)C2)c1 590967203 JGHUKFVURDTNNF-UHFFFAOYSA-N 276.383 3.541 30 20 CHED FC(F)(F)c1ccc(NN=C2CCn3cccc32)cc1 746578349 MIYLVPBRLRJRHO-UHFFFAOYSA-N 279.265 3.727 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cc(C)oc1C 743449693 DXBKXOKAMPEQDU-UHFFFAOYSA-N 263.728 3.781 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1c(C#N)cnn1C)CC2 596210945 YSCLLPALWBULNS-MRXNPFEDSA-N 280.375 3.515 30 20 CHED Cc1cc(C=NNc2ccccn2)cc(C)c1OC(F)F 916273846 VBQAKGDXTCHVNA-UHFFFAOYSA-N 291.301 3.746 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 683788460 OIJVEMZHHRJUHE-SQWLQELKSA-N 287.403 3.903 30 20 CHED CO[C@]1(C)CC(=NNc2cc(F)c(F)c(F)c2)C1(C)C 746577517 GVRHCOMOSHQMOF-CQSZACIVSA-N 286.297 3.707 30 20 CHED C=CCc1ccc(OC(=O)[C@H]2Cc3ccccc32)c(OC)c1 741888963 RNNCWRINJVCTEA-INIZCTEOSA-N 294.350 3.669 30 20 CHED C=CCNC(=S)N(CC1CCC1)[C@H](C)c1ccccc1 740773844 YSHSJIPJWLDGDL-CQSZACIVSA-N 288.460 3.910 30 20 CHED CCCCCC[C@@H](C)NN=C(C)c1cncs1 743450540 LTSQEHXOJQSVCX-LLVKDONJSA-N 253.415 3.816 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccnn1CC(C)C 843269392 PNQRLMCPUWYERK-SOFGYWHQSA-N 298.386 3.752 30 20 CHED C[C@@H]1C[C@H](C/N=C/c2c(O)ccc3ccccc23)[C@@H](C)O1 840712800 MEFITFGWQZRWDX-FRUBDDEUSA-N 283.371 3.778 30 20 CHED CN(C(=O)c1ccc(C#N)s1)C1CCCCCCC1 749362873 MSIGLMKPUIJNAD-UHFFFAOYSA-N 276.405 3.805 30 20 CHED CCc1nc(S[C@@H](C)CCC#N)c2ccccc2n1 594466775 MNWFBOZNUOYJSF-NSHDSACASA-N 271.389 3.977 30 20 CHED O=[N+]([O-])c1ccc(NN=CC2CCCCCC2)cc1 741838088 KRJKNSNBKPXFOQ-UHFFFAOYSA-N 261.325 3.963 30 20 CHED C=CCCCOC(=O)C[C@H](C)C(=O)c1cccc(F)c1 746085333 SRZUKGVWLXZUJB-LBPRGKRZSA-N 278.323 3.544 30 20 CHED C#CCN(CC)C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 748186255 PXVAWEGCFZONGP-QXMHVHEDSA-N 295.304 3.590 30 20 CHED Cc1nc2ccccc2c(N2CCC[C@@H](CC#N)C2)c1C 596331070 XHHLLCWAHVEGDW-HNNXBMFYSA-N 279.387 3.982 30 20 CHED CCc1nc(S[C@H](C#N)CC)c2ccccc2n1 594465251 CRUNIJLFBFUKKJ-JTQLQIEISA-N 257.362 3.586 30 20 CHED CCCCCCCCN1CCC[C@H]([C@H]2C[C@@H](N)CCO2)C1 846223353 PWOQLAAVNYMSPC-OKZBNKHCSA-N 296.499 3.565 30 20 CHED C[C@H]1CCCN1Cc1cccc(-c2cncc(C#N)c2)c1 592986449 NZKIZRIYQXBKNR-AWEZNQCLSA-N 277.371 3.605 30 20 CHED COc1ccc(-c2ccc(C#N)s2)cc1C1(C#N)CC1 592989434 WTNMDYVGXIGBDU-UHFFFAOYSA-N 280.352 3.851 30 20 CHED C=CCCSCCNCc1nc2ccc(F)cc2s1 594959748 BPTZAGKDIGPROO-UHFFFAOYSA-N 296.436 3.834 30 20 CHED Oc1c(Cl)cc(Cl)cc1C=NOCc1cccnc1 746585588 HSHPRGMUKVZLQN-UHFFFAOYSA-N 297.141 3.645 30 20 CHED COCCN(C)N=C1CCC[C@H](c2ccc(Cl)cc2)C1 841637676 VCRIMGFJBZXPQJ-AWEZNQCLSA-N 294.826 3.932 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@@H]2CCC[C@@H]21 685552146 VVKHBYQVEWUONJ-ZFWWWQNUSA-N 286.423 3.501 30 20 CHED COc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1F 921263897 KPCQIQGPVNHYTA-XFFZJAGNSA-N 286.277 3.796 30 20 CHED CCOC1(C/N=C/c2cc3ccccc3nc2O)CCCC1 840705470 GFIFCWPQOWOHMP-XDHOZWIPSA-N 298.386 3.709 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(O)c(F)c1)c1ccccc1 681057567 BJOWPDQOCXMJHS-MRXNPFEDSA-N 299.345 3.969 30 20 CHED C=C[C@@H](OC(=O)c1cn(C(C)C)nc1C)c1ccccc1 851452720 WAWMUOZCXJEKFP-MRXNPFEDSA-N 284.359 3.857 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 753259031 NQZBVSRKKCFALV-DOTOQJQBSA-N 284.403 3.508 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 853783493 KZRHLPSKEDJLAL-YPMHNXCESA-N 297.851 3.781 30 20 CHED COc1ccc2c(c1)CC(=NNc1ccccc1)CC2 752712623 BAXSMHUENSQMOQ-UHFFFAOYSA-N 266.344 3.652 30 20 CHED C=C[C@@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 756798187 QJAFBYUVPKVVFC-MRVPVSSYSA-N 274.311 3.566 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNc1ncccc1[N+](=O)[O-] 759202464 YJNXZLQEWZWDJK-SNVBAGLBSA-N 276.340 3.604 30 20 CHED Cc1cc(F)ccc1C=NN[C@H](C)c1ccccc1 750935476 AEERODGXZCXIEX-CYBMUJFWSA-N 256.324 3.819 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](C#N)C1 928222910 UBDALCCTKJHSOQ-CVEARBPZSA-N 276.424 3.745 30 20 CHED C#CC[C@H](NC(=O)c1ccc(C)c(F)c1)c1ccccc1 757599985 XCZOVVNYWHPPFD-KRWDZBQOSA-N 281.330 3.629 30 20 CHED N#CC1(C(=O)OCc2cc3ccccc3o2)CCCCC1 920020801 IKOITZXIDRAPAA-UHFFFAOYSA-N 283.327 3.950 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 754432864 YBGQHASSFKPKLL-QWHCGFSZSA-N 294.443 3.856 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)C1CCCCCCC1)CC2 757542725 CFSXDLOPDYFCQP-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C#CCCCC(=O)NCC(C)(C)CCCc1ccccc1 757937652 IBPMPPCMJITZBT-UHFFFAOYSA-N 285.431 3.955 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1CCc2cc(F)ccc21 850270832 MZEYHSCIKFEGRJ-OAHLLOKOSA-N 289.350 3.729 30 20 CHED CCCn1nccc1/C=C1\COc2ccc(C)c(C)c2C1=O 853006607 WEAQNZFPPHZILI-GXDHUFHOSA-N 296.370 3.569 30 20 CHED C=CCCC(=O)O[C@H](CC)c1cc(OC)cc(OC)c1 851474916 YTNJRNWFIRVMFE-OAHLLOKOSA-N 278.348 3.664 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc2c1OCC[C@@H]2OC 935728175 BKGNJLHFLVXMSJ-DOMZBBRYSA-N 289.375 3.697 30 20 CHED CCCCCCCC(=O)N1CCCC[C@@H]1C(=O)CC 765458798 STHSCNHKHUQCJE-CQSZACIVSA-N 267.413 3.707 30 20 CHED COC(=O)c1ccc(C(C)=NNc2ccc(C)cc2)cc1 767744916 WZIMXBVRQHSSPR-UHFFFAOYSA-N 282.343 3.618 30 20 CHED C#C[C@H](OC(=O)CC[C@H]1CCCCO1)c1ccc(C)cc1 860964156 KPBHFWGYJIBIOY-SJORKVTESA-N 286.371 3.562 30 20 CHED C=CCN(Cc1ccc(OC[C@H]2CCCO2)cc1)C(C)C 768547861 SKQKVEZPAUTYKU-GOSISDBHSA-N 289.419 3.641 30 20 CHED Cc1ccc(OC(F)F)c(C(=O)/C=C\c2cccnc2)c1 762605411 VMGMBJCBPOHIRD-WAYWQWQTSA-N 289.281 3.888 30 20 CHED CC#CCCCC(=O)O[C@H](C)C(=O)c1ccc(CC)cc1 767674474 GHIDBBNMEWKSSN-CQSZACIVSA-N 286.371 3.557 30 20 CHED CCCCCC[C@H]1CCCC1=NNc1cnn(C)c1 761868026 UQVYUOBOGWJDKL-ZDUSSCGKSA-N 262.401 3.959 30 20 CHED CC(C)c1ccc(CC=NNc2ccc([N+](=O)[O-])cn2)cc1 760250037 KEBOTEVGAOIYSZ-UHFFFAOYSA-N 298.346 3.754 30 20 CHED CC(CCCCO)=NNc1c(Cl)cccc1Cl 766713062 PUBWJOMXJAVYOU-UHFFFAOYSA-N 275.179 3.944 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2cc3ccccc3o2)c1 766491801 RBONQCCSUUTYCJ-SREVYHEPSA-N 296.278 3.709 30 20 CHED C#CCC(C)(C)COC(=O)/C=C/c1nc2ccccc2s1 760268860 RVEYZFNPGXLDOD-MDZDMXLPSA-N 299.395 3.902 30 20 CHED C#CCCNc1ccc(C(F)(F)C(F)(F)F)cc1 760297932 ZPDNRTVRKYSOEP-UHFFFAOYSA-N 263.209 3.776 30 20 CHED CC1(C)CN(C(=O)/C=C\c2ccccc2C#N)CC(C)(C)C1 767190889 NTOKLVBJEHMNMH-KTKRTIGZSA-N 296.414 3.856 30 20 CHED O=C(O)c1cccc(/C=C2\CCc3ccccc3C2=O)c1 765823691 HAPWTSADMFLFNN-GXDHUFHOSA-N 278.307 3.597 30 20 CHED C[C@@H]1CCC[C@@H](C=Nn2c(S)nnc2C(C)(C)C)C1 768351709 IKKSTIMQKLLDIT-GHMZBOCLSA-N 280.441 3.525 30 20 CHED Cn1cc(NN=C2CCCCc3ccc(Cl)cc32)cn1 761868330 ZUFZHGHBSFMPGE-UHFFFAOYSA-N 288.782 3.616 30 20 CHED CCC/C(C)=C\C(=O)OCCCCC(C)(C)C#N 768642805 JYKKOGOTMMOBRW-QBFSEMIESA-N 251.370 3.996 30 20 CHED Cc1n[nH]c(C)c1/C=C1\CCc2ccc(Cl)cc2C1=O 761205264 JANCTLGYEXOYLL-KPKJPENVSA-N 286.762 3.892 30 20 CHED C#CCCCN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 766234449 VCQZFQBVJNHZPW-HOTGVXAUSA-N 261.796 3.979 30 20 CHED C=CCC[C@@H](C)OC(=O)Cn1nc(C(F)F)cc1C1CC1 873436192 HTPJMYIXQIOFIW-SNVBAGLBSA-N 298.333 3.596 30 20 CHED CC(C)C[C@H](C)CC(=O)OCc1cccc(C#N)c1F 774944143 MXHCYMLTWHGXFI-LBPRGKRZSA-N 277.339 3.813 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCO[C@H](C)C1 776306673 PJAZUEIWXNBHOY-ARFHVFGLSA-N 283.456 3.914 30 20 CHED CCC[C@@H](C)OC(=O)c1ccc(C#N)c(Cl)c1 778542017 DDCJREIDDYHPHV-SECBINFHSA-N 251.713 3.557 30 20 CHED C[C@@H](CC(=O)O[C@@H](C#N)C1CCCCC1)c1ccncc1 776395177 IQILFYJZVDRGDW-BBRMVZONSA-N 286.375 3.591 30 20 CHED C(=NOC1CCOCC1)c1ccccc1-c1ccccc1 774443279 YQJCKUNPFBXTRP-UHFFFAOYSA-N 281.355 3.883 30 20 CHED C=C(C)CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 775641981 SNZJMNPYIDHQPB-GJZGRUSLSA-N 296.455 3.578 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2cc3c(s2)CCC3)c1 774135359 JQCFAWVGPAOZDF-FPLPWBNLSA-N 298.363 3.831 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCCC1CC1 1559555129 RVPCACYGCQKKRW-ZWKOTPCHSA-N 268.404 3.948 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(F)c(OC)c2)o1 1116378159 ZZQLSTHXLNCYRB-YVMONPNESA-N 274.291 3.886 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](C)c1ccc(OC)cc1 878090262 WRJPQHNIXWQZDW-CYBMUJFWSA-N 275.392 3.817 30 20 CHED Cc1ccc(-c2ccccc2NC(=O)N2CC(C#N)C2)s1 880278389 AGEWZIDSJXBNFG-UHFFFAOYSA-N 297.383 3.711 30 20 CHED Cn1cc(C=NNc2ccccc2F)c(-c2ccccc2)n1 771551113 QWYPOQXQZQDJTM-UHFFFAOYSA-N 294.333 3.672 30 20 CHED C=C1CCC(C(=O)N2CCC(OC(C)(C)C)CC2)CC1 889495892 AMOAHLRIEGDFIW-UHFFFAOYSA-N 279.424 3.539 30 20 CHED C#CCOc1ccccc1NCc1cc(F)ccc1F 774378020 HCMCYUZZJYLERO-UHFFFAOYSA-N 273.282 3.589 30 20 CHED CCO[C@H]1CC(=NNc2ccnc(F)c2)C1(CC)CC 781130561 XWIRSEYJQAGIIO-ZDUSSCGKSA-N 279.359 3.604 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H](C)c1ccccc1 1122871043 RPOGBNHSESFZMI-CYBMUJFWSA-N 265.312 3.785 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccncc2)cc1F 782300590 GZBUAIXKRRTCQY-HWKANZROSA-N 271.291 3.516 30 20 CHED C=CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C 787406390 JVNMSKMBFHNIGT-UVTDQMKNSA-N 274.364 3.895 30 20 CHED Cc1nsc(N(C)C(=O)C2CCC(C)(C)CC2)c1C#N 891431038 KPNSWCODWTUNGC-UHFFFAOYSA-N 291.420 3.502 30 20 CHED Cc1cc2ccccc2n1CC(=O)OCCCC(C)(C)C#N 782563491 ANKXNOFCXUQQBS-UHFFFAOYSA-N 298.386 3.823 30 20 CHED N#Cc1cnc(NC(=O)c2cccc(C3CCC3)c2)s1 896489665 XMLJIOPAQIDCIY-UHFFFAOYSA-N 283.356 3.535 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1F 782300509 FZNJDNSRVRZYJX-UITAMQMPSA-N 295.313 3.992 30 20 CHED Cc1cc2ccccc2nc1NN=CCC1CCOCC1 788726563 WFZVPAWRCQFRLB-UHFFFAOYSA-N 283.375 3.758 30 20 CHED C=CC[C@@H](N[C@H](C)CSCCC)c1ccncc1 892973649 UFSBDQBBKACNNI-UKRRQHHQSA-N 264.438 3.820 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1c(F)cccc1Cl 782303801 ZYVOLIOZTWJAKV-ZDUSSCGKSA-N 268.763 3.981 30 20 CHED COc1ccc(CNCc2ccc(C#N)s2)cc1Cl 132294351 MOKGIBTUHKSVQP-UHFFFAOYSA-N 292.791 3.572 30 20 CHED CCC(C)(C)C(=O)OCc1ccc(C#N)cc1Cl 784221000 YYOKFBBYANMCHB-UHFFFAOYSA-N 265.740 3.691 30 20 CHED C=C1CCC(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CC1 892553470 OKQQTWYETBWODH-CYBMUJFWSA-N 280.327 3.750 30 20 CHED C#CCOc1ccccc1OC(=O)c1csc(Cl)c1 786458363 ZXTKEXLDCVVOJB-UHFFFAOYSA-N 292.743 3.633 30 20 CHED Cc1ccnc(N2CCC(c3ccc(C#N)cc3)CC2)c1 896864745 NHDDJJNDEJUCLY-UHFFFAOYSA-N 277.371 3.646 30 20 CHED CC(=NNC[C@@H](C)C#N)c1ccc(OC(C)C)c(Cl)c1 789036484 BZLBRPLPRMOGOW-NSHDSACASA-N 293.798 3.600 30 20 CHED CCC(=NNCCc1ccncc1)c1ccc(Cl)s1 789096699 HAONNERPMGILTM-UHFFFAOYSA-N 293.823 3.743 30 20 CHED N#Cc1cc(=Nc2ccc(OC3CCCC3)c(F)c2)cc[nH]1 1206640383 ZOUXEEIHYWNRNS-UHFFFAOYSA-N 297.333 3.579 30 20 CHED C=C[C@@H](CC(=O)OCc1cc(C)ccn1)c1ccccc1 791433322 AGIWEKPTCNGGAY-HNNXBMFYSA-N 281.355 3.793 30 20 CHED C=CCC(C)(C)c1noc(Cc2sc(C)nc2C)n1 896328108 KGGFDQNXVKWCGM-UHFFFAOYSA-N 277.393 3.587 30 20 CHED Brc1cscc1C=NNc1ccccc1 794855842 BGHHEKJWHUZKHS-UHFFFAOYSA-N 281.178 3.957 30 20 CHED CCCCCCCCN1CCSC[C@H]1c1cnn(C)c1 792415057 JUFXWXPOUNYDEW-INIZCTEOSA-N 295.496 3.871 30 20 CHED CCC(=NNc1cccc(F)n1)c1ccc(F)cc1 795007233 VTIRCFSWTXXMIX-UHFFFAOYSA-N 261.275 3.586 30 20 CHED C=C(C)CCc1noc(COc2ccc3c(c2)CCC3)n1 795763828 FJIJUXHLJZNKKF-UHFFFAOYSA-N 284.359 3.646 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C)c1ccc(CC)cc1)C(C)C 799048352 GZFLNWQZQOIGPX-WMLDXEAASA-N 271.404 3.517 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@H](C)c1ccsc1 799442314 GLDDJKYWWCGUGK-NSHDSACASA-N 285.368 3.891 30 20 CHED COc1ccc(/C=C\C(=O)c2ccncc2)c(Cl)c1 796975953 JKYQZAWBMARDRO-HYXAFXHYSA-N 273.719 3.640 30 20 CHED N#Cc1cccc(Cl)c1N1CC[C@H](c2ccccn2)C1 798416754 PVHZOEXCUUINPW-ZDUSSCGKSA-N 283.762 3.601 30 20 CHED C[C@@H](NN=Cc1ccc(Cl)cc1F)C(C)(C)C 793112450 SEDOTTCYGHMOMX-SECBINFHSA-N 256.752 3.837 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C[C@@H]1C=CCCC1 799444859 YYCFHDZJZIEANF-CYBMUJFWSA-N 269.344 3.772 30 20 CHED CC(C)(C)CN(CCC#N)CCc1ccc(F)cc1 1341963181 PENRNXZEWVYUQM-UHFFFAOYSA-N 262.372 3.630 30 20 CHED CCSc1ccccc1CN1CCC[C@@](C)(C#N)C1 1307602302 QIKGAAWWNGIAHY-INIZCTEOSA-N 274.433 3.924 30 20 CHED C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](C#N)C1 1308063953 KVLAORQLCJISDB-NWDGAFQWSA-N 298.308 3.882 30 20 CHED N#CCCN(Cc1ccc(Cl)c(F)c1)CC1CC1 93091591 JFNNUPPDIFICOV-UHFFFAOYSA-N 266.747 3.605 30 20 CHED CC(=O)c1cccc(NCc2ccc(F)c(C#N)c2)c1 83497101 GWDCEXKIAYIZIM-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1cccc2c1CCCN2C(=O)CC#Cc1ccccc1 1319315401 IXKFUSMIYTTWEP-UHFFFAOYSA-N 289.378 3.716 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)c1cccs1 301172014 XLIOMRFOWPBPLQ-QMMMGPOBSA-N 263.753 3.841 30 20 CHED Cc1c(C#N)cccc1-c1nnc(CC(C)(C)C)o1 1326555209 ZMTGUYQDNZRBEX-UHFFFAOYSA-N 255.321 3.505 30 20 CHED C=C[C@@H](COC)N[C@H](C)Cc1c(Cl)cccc1Cl 1320306536 VZOJUUSBOAUANM-MNOVXSKESA-N 288.218 3.715 30 20 CHED CC#CCSCc1ccc(Oc2ccccc2)nn1 1320260250 UPTVEZDXLRYOMD-UHFFFAOYSA-N 270.357 3.525 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 1338068530 LGIUWWALZFXDIG-MRVPVSSYSA-N 292.326 3.695 30 20 CHED N#CCc1cccc(C(=O)Nc2cccc(Cl)c2)c1 42192696 IRMPFBKZLIKZGN-UHFFFAOYSA-N 270.719 3.658 30 20 CHED Cc1ccc(SCCc2ccc(C#N)cc2)nc1 1188626704 BHAXRVUAODKFFK-UHFFFAOYSA-N 254.358 3.597 30 20 CHED N#CCOc1ccc(N[C@@H]2CCC23CCCC3)cc1 694400553 CHVVCAOLWNZLOV-OAHLLOKOSA-N 256.349 3.724 30 20 CHED CCC[C@@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 1336163371 MKJHUSODZCVTTF-DLBZAZTESA-N 284.403 3.865 30 20 CHED C=C[C@H](COC)NC1CCC(c2ccccc2)CC1 1255026373 SPEHLFVSMYNIPA-AQFXKWCLSA-N 259.393 3.503 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 1346895185 KRUXKUXFCXOILQ-KGLIPLIRSA-N 293.432 3.519 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCc1cc2ccccc2o1 1355303621 KRKQLONLQUJWGX-UHFFFAOYSA-N 290.322 3.543 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cncc2ccccc12 1353906319 TXPONUCZGBCXJF-OAHLLOKOSA-N 280.371 3.806 30 20 CHED Cc1c(F)cccc1C(=O)Nc1ccccc1O[C@H](C)C#N 1435648764 QZWLPGVXOCKBAJ-LLVKDONJSA-N 298.317 3.677 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2csc(C#N)c2)[C@H](C)C1 1456643965 KRAOBEHDMGWVFP-BREBYQMCSA-N 263.362 3.601 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(O)c1 1527645860 ACVCDKVYFLGAQJ-HIFRSBDPSA-N 288.391 3.593 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 1459514028 UUEHYXRYASEPGA-QFBILLFUSA-N 294.373 3.955 30 20 CHED CCCC[C@H](C(=O)N1CCc2c(C#N)cccc21)C(C)C 1529231677 ICJUVGMCONPTMV-HNNXBMFYSA-N 284.403 3.910 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3ccccc3n2C)c1 1528802731 RMFPPFLFADAHIV-UHFFFAOYSA-N 289.338 3.611 30 20 CHED CC[C@H](C)[C@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 1461935521 OBAMILMUOZOSIQ-WMLDXEAASA-N 286.419 3.967 30 20 CHED C=CCC[C@@H](NCc1cc(C(=O)O)n(C)c1)c1ccccc1 1609324909 VEXRKFIDLDONJO-MRXNPFEDSA-N 298.386 3.520 30 20 CHED CCCCN(C(=O)c1ccc(F)c(C#N)c1)c1cccnc1 1461576377 FGWXPGHGLGNVRU-UHFFFAOYSA-N 297.333 3.539 30 20 CHED N#Cc1cc(=NC2CCC(c3ccc(F)cc3)CC2)cc[nH]1 1612237545 OCYWSAWNPPZIIO-UHFFFAOYSA-N 295.361 3.653 30 20 CHED N#C[C@H]1CCCN(CCSc2cccc(Cl)c2)C1 1560130493 RJBGUDDMMIJLGK-GFCCVEGCSA-N 280.824 3.668 30 20 CHED Cc1nc(NCc2cccc(F)c2F)c(Cl)cc1C#N 1640227799 AYTWEXLHNSVFDZ-UHFFFAOYSA-N 293.704 3.805 30 20 CHED N#Cc1ccc(C(=O)NC2CCC(C3CCC3)CC2)cc1 1587772408 SBUZAIPSVUNPPM-UHFFFAOYSA-N 282.387 3.647 30 20 CHED N#Cc1cc(Sc2nc3cc(F)ccc3s2)ccn1 1651408996 IJEQZIQNAVZROI-UHFFFAOYSA-N 287.344 3.853 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC[C@@H]1C(=O)O 1588771510 WNWJQCJJGIUVFS-UGUYLWEFSA-N 279.424 3.602 30 20 CHED COc1ccc(C#N)cc1CN1CCC=Cc2ccccc21 1653299955 QSVWMSUHORJJIN-UHFFFAOYSA-N 290.366 3.990 30 20 CHED CCCCCCCN[C@@H](C)c1cc(C(=O)O)co1 1595704823 ZDOKJNGNLLOXFI-NSHDSACASA-N 253.342 3.599 30 20 CHED N#Cc1ccc(NC(=O)NCCC2CCCCC2)cc1F 1678225723 WDHQTRYCZWWUCX-UHFFFAOYSA-N 289.354 3.789 30 20 CHED Cc1cccc(NN=Cc2cc(C(=O)O)c(Cl)s2)c1 1776032890 CJFSGXGCHZEKEQ-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=C(CNC(=O)N[C@@]1(C)CCCC[C@H]1C)c1ccccc1 1686696620 KQWIREYPGSTTFM-QAPCUYQASA-N 286.419 3.968 30 20 CHED Cc1c(NN=C2C[C@H](C)CC[C@H]2C)cccc1C(=O)O 1776087949 GRGNSYYMORNXHW-GHMZBOCLSA-N 274.364 3.917 30 20 CHED C=CCCCCN1C[C@H](c2ccccc2)C[C@@H](C(=O)O)C1 1776207675 BJRKQZWYMLCIIX-IAGOWNOFSA-N 287.403 3.533 30 20 CHED C=C(Cl)COc1ccc(F)cc1Br 19515823 CPGFULBOGJQQCM-UHFFFAOYSA-N 265.509 3.720 30 20 CHED C=CCN(C)C(=O)C1CCC(c2ccccc2)CC1 161708544 UMRLPEODXMRCPA-UHFFFAOYSA-N 257.377 3.605 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1occc1-c1ccccc1 160434266 GHOMNUDZNLLVCW-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED CC(C)Oc1c(Cl)cccc1NC(=O)N[C@@H](C)CC#N 160513385 BLLIPLCLTHQBKQ-JTQLQIEISA-N 295.770 3.551 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(F)cc1C 153063771 ZNMNUERJZQOPTI-UHFFFAOYSA-N 275.367 3.561 30 20 CHED Cc1cc(C#N)ccc1OCc1nc(C(F)(F)F)cs1 154301636 AZLSQPVKYOQIOU-UHFFFAOYSA-N 298.289 3.921 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)[C@H](N)c1ccccc1 159187343 NNZRUGYSKUMGKK-WBVHZDCISA-N 288.435 3.527 30 20 CHED CCOc1ccc(NCc2cc(C#N)n(C)c2)cc1Cl 232314795 SKMGKCLJSSROJA-UHFFFAOYSA-N 289.766 3.561 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)cc2C#N)ccc1Cl 124646987 AMTPWRAQHHOXAE-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(C)COCCNCc1ccc(Cl)c2cccnc12 125769587 OKCQNKCFMIIATB-UHFFFAOYSA-N 290.794 3.571 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCC1(C2CC2)CC1 131286957 ITTFYHAHIMKYGB-UHFFFAOYSA-N 281.281 3.574 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2ccccc2[nH]1 182625460 NDNALEXNMQAINK-LBPRGKRZSA-N 256.349 3.643 30 20 CHED N#Cc1ccc(N2CCCC3(CC3)C2)c(Br)c1 302227936 AGRHMAUXPVRSMW-UHFFFAOYSA-N 291.192 3.701 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1sc(C(C)(C)C)nc1C 320460680 LFCGXNZWKQXPME-DGCLKSJQSA-N 296.480 3.727 30 20 CHED COc1cc(C)nc(CNc2ccc(Cl)c(C#N)c2)c1 354234442 BZIVEBRSUBOGPE-UHFFFAOYSA-N 287.750 3.536 30 20 CHED CCC(CC)N(CC)c1ncc(C#N)cc1Cl 584431882 FSZAPYRGRIDKBI-UHFFFAOYSA-N 251.761 3.622 30 20 CHED C[C@H]1CCN(c2cccc(Cl)c2C#N)CCS1 380370075 SQCQIZPRYOWVRQ-JTQLQIEISA-N 266.797 3.543 30 20 CHED C#CCCC1(CCOc2ccc(Br)cc2)N=N1 2090611379 XSZHSSLPBCJLRT-UHFFFAOYSA-N 293.164 3.794 30 20 CHED Cc1cc(C)cc(NCc2ccc(C#N)cc2F)c1 20053390 CNZQFHQGIGYQAW-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1ccc(O)c([C@H](C)Nc2ccc(OCC#N)cc2)c1 35628814 CBFAHWIDCPQTQZ-ZDUSSCGKSA-N 282.343 3.776 30 20 CHED Cc1ccccc1C[C@H](C)NCc1ccc(C#N)cc1 37777072 VGRGYXHLNHQJQZ-HNNXBMFYSA-N 264.372 3.588 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(OC)c1 46885362 YEENLVRUDQBNCV-UHFFFAOYSA-N 296.370 3.915 30 20 CHED C[C@H](c1ccco1)N(C(=O)c1sccc1C#N)C1CC1 52032556 BEMADMNNRXFCJU-SNVBAGLBSA-N 286.356 3.579 30 20 CHED CCc1ccccc1CNc1ccc(F)c(C#N)c1 52203250 PUXHYDJWAYERQJ-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc[nH]c1 68448854 HWVPAMJLCCEMIC-NSHDSACASA-N 285.372 3.661 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)Cc1cccc2ccccc12 69342829 RYRLEKYNYFASCM-OAHLLOKOSA-N 297.398 3.779 30 20 CHED CN(Cc1ccccc1C(F)(F)F)C[C@H](C#N)CCC#N 73895256 HSLCZTMYXPCMOE-LBPRGKRZSA-N 295.308 3.581 30 20 CHED CCN(Cc1cccc(Cl)c1)c1ncccc1C#N 76829587 FPAUNZKXZWRYLY-UHFFFAOYSA-N 271.751 3.633 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc2ccc(C)nc12 78076211 NWJKHYBYAHOXHH-UHFFFAOYSA-N 268.360 3.581 30 20 CHED CC(C)[C@H](C)SCC(=O)Nc1cc(Cl)ccc1C#N 79081532 FUCVPSYEWFZKID-JTQLQIEISA-N 296.823 3.928 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)c1ccsc1 89949488 ARKPRDUZMWCSJS-GFCCVEGCSA-N 278.421 3.830 30 20 CHED O=C1/C(=C\c2cccnc2)CCC/C1=C/c1cccnc1 90646082 LYDLODGAUHPYGN-APGQMXJTSA-N 276.339 3.697 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC[C@@H]1C 105308327 ABYHPAIPABKVCM-BBRMVZONSA-N 290.382 3.712 30 20 CHED C=CC1CCN(C(=O)/C=C(\C)Cc2ccccc2OC)CC1 110368134 YSRXDEFYVNFLSB-CCEZHUSRSA-N 299.414 3.609 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)c1ccc(C)c(Cl)c1 113069278 LGWFAABCLCWAPT-LBPRGKRZSA-N 281.783 3.592 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)[C@H](C)C1 113533548 HJYCGHXIJUZPHE-IOASZLSFSA-N 285.391 3.699 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(Br)c1C 117005193 WXSGBMGNTJBTED-SECBINFHSA-N 297.196 3.844 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](Cc1ccccc1)C(C)C 119144244 LXHZRJBKZDBPEG-DOTOQJQBSA-N 286.419 3.509 30 20 CHED C#CCCCCC(=O)N(C)Cc1cccc(C(F)(F)F)c1 119638710 MERXQEAFQVJBIV-UHFFFAOYSA-N 297.320 3.857 30 20 CHED C=CCC[C@H](NCc1ccc(COC)cc1)C1CC1 119999579 KQEJJPDXFIGXIU-KRWDZBQOSA-N 259.393 3.667 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H]1c1cccs1 120489046 QCVVIDXREMYAHE-HNNXBMFYSA-N 298.411 3.965 30 20 CHED C=CCC[C@H](CC)NC[C@@H](O)c1ccc(Cl)cc1 120502582 MGSNBZLEGXTCDP-LSDHHAIUSA-N 267.800 3.708 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](C)c2ccccc2)c1 120701906 KRQJUDPDGJUIQM-CQSZACIVSA-N 281.355 3.994 30 20 CHED C=C[C@@H](CC(=O)NCc1ccccc1C)c1ccccc1 123550958 ARFBSKBNUFLPKK-INIZCTEOSA-N 279.383 3.971 30 20 CHED CCCCCCCCC(=O)N[C@H](C)C1CCOCC1 123970406 JMQNAHQMHNAIHE-CQSZACIVSA-N 269.429 3.668 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1ccccc1F 124555000 QMKSAIYHNNXDTN-LBPRGKRZSA-N 279.380 3.507 30 20 CHED COc1ccc(CNc2cccc3cccnc23)cc1C#N 124917352 JOIYNERAERCMSF-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=C(Br)CN[C@@H](C)c1ccc(F)cc1F 125047407 QDAKGRZGNZTLHP-QMMMGPOBSA-N 276.124 3.524 30 20 CHED N#CCOc1cccc(NCCC2CCCCC2)c1 125055558 DXLXFOWHTQBWDX-UHFFFAOYSA-N 258.365 3.971 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1Cc1cc(C#N)cs1 127595254 ANDPUYRTNRNBQH-BBRMVZONSA-N 282.412 3.998 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(F)cc2[nH]cnc12 128730198 AAEFSQGLDYEWBF-UHFFFAOYSA-N 289.354 3.520 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)ccc1Cl 135026174 WDKXZTCDCSTIBY-OAHLLOKOSA-N 290.794 3.851 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)CCSC)c1ccccc1 135236632 KTWTUBFMUVVTEV-KGLIPLIRSA-N 277.433 3.604 30 20 CHED C[C@H](c1cccc(Cl)c1)[S@](=O)CCCCC#N 150956516 RQZYQKOCTNKXFZ-DIFFPNOSSA-N 269.797 3.844 30 20 CHED Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)c(F)c1 151901297 OGEMYEMSZHJKPV-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CCC[C@@H](C)CC(=O)N(CC)c1ccc(C#N)cc1 152001890 AYZCFHZHDGWDLQ-CYBMUJFWSA-N 258.365 3.737 30 20 CHED CCCOc1cc(F)ccc1NCc1ccc(C#N)o1 152064239 SBWBFNDMBHKKOJ-UHFFFAOYSA-N 274.295 3.691 30 20 CHED C=C(C)CNC(=O)c1ccccc1-c1ccccc1C#N 152979174 MBGRBRVQAAAEPM-UHFFFAOYSA-N 276.339 3.531 30 20 CHED CC(C)(CCC#N)CNCCc1csc(C(C)(C)C)n1 153667461 DINSYTQYTJMENM-UHFFFAOYSA-N 293.480 3.903 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)NCCCC(C)(C)C 154644885 YNTXBODHRCAFMZ-UHFFFAOYSA-N 287.407 3.526 30 20 CHED Cc1ccc2nc(-c3ccc(O[C@H](C)C#N)cc3)[nH]c2c1 154646271 HLQXDNUWGPAHQJ-GFCCVEGCSA-N 277.327 3.829 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 156463672 GMFBHGGOURVYFM-QGZVFWFLSA-N 298.361 3.790 30 20 CHED CCCCCCCN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O 158721456 DTJGAHTYANNDBC-XHSDSOJGSA-N 253.430 3.582 30 20 CHED N#Cc1cc(Cl)ccc1N[C@@H]1CCO[C@@H](C2CC2)C1 160346866 XZEIJEQIZXVXMI-UKRRQHHQSA-N 276.767 3.581 30 20 CHED C[C@]1(CNc2c(F)cc(C#N)cc2F)CCCS1 161951687 NJFJAXQOCSRQNC-CYBMUJFWSA-N 268.332 3.534 30 20 CHED CCN(CC(C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 171145534 MOWLMVVJGIHXNK-UHFFFAOYSA-N 290.411 3.625 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)NCCCCC#N)cc1 171380100 NGPGHWVDQSQFII-ZDUSSCGKSA-N 289.379 3.679 30 20 CHED N#Cc1cc(F)ccc1NCc1ccc(N2CCCC2)cc1 174680257 RAPWBQURPUMGLD-UHFFFAOYSA-N 295.361 3.910 30 20 CHED C[C@H]1CN(C)c2ccccc2N(CCCC(C)(C)C#N)C1 174875434 XHRJGTYFIGKGLX-HNNXBMFYSA-N 285.435 3.909 30 20 CHED CCC[C@@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 176749493 ZWVLGOIQDJKNST-AUECHBEKSA-N 282.387 3.610 30 20 CHED COc1ccc(CNc2ccc3scnc3c2)cc1C#N 179030990 PHRUZIRNVRLQJH-UHFFFAOYSA-N 295.367 3.789 30 20 CHED Cc1c(NCc2ccc(C#N)cc2)cnn1-c1ccccc1 180358421 YALUYKIFGZXQHG-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC(C)C)C1CC1 181087563 KVSBSFZISVTFJK-CYBMUJFWSA-N 252.402 3.561 30 20 CHED CCC(CC)[C@H](NC(=O)NC[C@H](C)C#N)c1ccccc1 182564944 UQTSRNVZEPMXNE-CJNGLKHVSA-N 287.407 3.623 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ccc(OC)c(F)c1 182637522 XVRVRRRDOVQSLO-ZDUSSCGKSA-N 293.382 3.628 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@H](c2ccccc2)CC1 185439925 RMXVPADRDIYDSY-KRWDZBQOSA-N 283.415 3.832 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(OC(F)F)c(F)c2)C1 185727772 ASLRFNQMLDYLTB-UWVGGRQHSA-N 284.281 3.921 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCc2ccc(Cl)cc2)C1 185822640 JPTKQXATTYXEKQ-ZBFHGGJFSA-N 276.811 3.945 30 20 CHED C=C(C)[C@H](NC(=O)CSCCC)c1ccc(F)c(F)c1 186041374 NGMNEGIQHIZYFR-HNNXBMFYSA-N 299.386 3.841 30 20 CHED C=C(C)[C@@H](NC(=O)c1cc[nH]c1C)c1ccc(F)c(F)c1 186066922 YCGMNYKTQRAYMM-OAHLLOKOSA-N 290.313 3.649 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1cnccn1)c1ccc(F)c(F)c1 186455434 ROBHZRRAHWHAOB-MEDUHNTESA-N 289.329 3.723 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H]1CCC[C@H]1C 186844820 VBKVPBGUJIIWQW-KGLIPLIRSA-N 264.413 3.791 30 20 CHED C#CCOc1ccccc1NC(=O)CCC1CCCC1 187212975 NNYKGEDXHCIUMN-UHFFFAOYSA-N 271.360 3.608 30 20 CHED Cc1ccoc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187297288 ZBVHBBCDAGFOHU-UHFFFAOYSA-N 288.391 3.817 30 20 CHED C=CCCN(Cc1cccnc1)OCc1ccccc1 187376576 ABNVVWWAZMMVEU-UHFFFAOYSA-N 268.360 3.592 30 20 CHED COCCCSCc1ccccc1C(C)(C)C#N 187942866 OWZOAYRJLDDOGH-UHFFFAOYSA-N 263.406 3.757 30 20 CHED C=CCN(C)C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 188177502 TZYSMRKJHJMXNJ-UHFFFAOYSA-N 290.363 3.624 30 20 CHED C#CCN(C)C(=O)c1sc(-c2ccccc2)cc1OCC 191138458 MWBVQLCPSYITPR-UHFFFAOYSA-N 299.395 3.519 30 20 CHED CCc1ccc(NCc2cc(C#N)n(C)c2)cc1CC 191554722 PXAPGYGNAZHURH-UHFFFAOYSA-N 267.376 3.634 30 20 CHED C#CCCCC(=O)N(C)Cc1cccc2ccccc12 192134190 ISAPPJPUDBETNW-UHFFFAOYSA-N 265.356 3.602 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1CCCC1 194221867 MIRPUUMZOWRNJQ-UHFFFAOYSA-N 261.340 3.531 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc2ncccc2c1 194293653 JXAKPIDLAGPZDK-AWEZNQCLSA-N 297.402 3.779 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(F)c(F)c1 229676418 LFGYEHUERCXZBK-LLVKDONJSA-N 266.335 3.945 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(Cl)nc1Cl 232599059 RIJOJSJOMPPZDS-UHFFFAOYSA-N 286.206 3.760 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(=O)N[C@H](CCC#N)c1ccccc1 247054231 ZLJGIXXJGHRTBT-IIAWOOMASA-N 285.391 3.614 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1ccc(C#N)cc1 247178340 RVPVZLZAOMPGOZ-FHLIZLRMSA-N 296.414 3.670 30 20 CHED C=CCN(C(=O)c1cc(F)ccc1F)c1ccccc1 247967669 CCAYBIPRIZFCGN-UHFFFAOYSA-N 273.282 3.798 30 20 CHED CCCCCCCOc1ccc(C=Nn2cnnc2)cc1 254749406 RDDQQEXMJHTDQU-UHFFFAOYSA-N 286.379 3.510 30 20 CHED CCOc1cc(/C=C\c2ccc(C#N)cn2)ccc1OC 255469780 NIEPPROYZLJXJT-DAXSKMNVSA-N 280.327 3.531 30 20 CHED C=C1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 264194461 RJTHCUQHFRJVII-UHFFFAOYSA-N 270.159 3.786 30 20 CHED Cc1ccc(-c2cc(CON=C3CCC3)on2)cc1 265453844 LIKOJALVIMIFBQ-UHFFFAOYSA-N 256.305 3.707 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)c1c(F)cccc1F)OCC 270015690 HCMFLNXFMGWFLW-FZMZJTMJSA-N 297.345 3.513 30 20 CHED C=CCN(C(=O)N[C@@H](C)[C@H](C)c1ccccc1)C1CC1 271358863 FFCPVNFHVCJBFH-KBPBESRZSA-N 272.392 3.539 30 20 CHED C[C@@H](NCCCC#N)c1ccc(F)cc1Br 273197251 IDPRFAUAPVOUOQ-SECBINFHSA-N 285.160 3.543 30 20 CHED CC[C@H](NC1CCN(CC(C)C)CC1)c1ccc(C#N)cc1 278173397 CPYHQSJSWKFNKR-IBGZPJMESA-N 299.462 3.719 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(c2ncc(C)s2)CC1 278333369 ZSDUVLJEJGSVRQ-INIZCTEOSA-N 292.448 3.760 30 20 CHED C#Cc1cc(F)c(NCCCC(C)(C)C#N)c(F)c1 278489570 HCKQSSVXHJTMAY-UHFFFAOYSA-N 262.303 3.688 30 20 CHED Cc1nc2ccccc2nc1S[C@@H]1CC[C@H](C#N)C1 278505643 DJKFBIAIHBDCEX-NWDGAFQWSA-N 269.373 3.723 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(OC2CCCC2)cc1 278553966 OQKFRGBGUDMNHK-UHFFFAOYSA-N 286.375 3.886 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(C)c1Cl 278989794 KVPPWGTUKJYALD-BXUZGUMPSA-N 279.767 3.568 30 20 CHED CC[C@H](NCC1(SC)CCC1)c1ccc(C#N)cc1 279133453 REEMHBLMNCQVQE-HNNXBMFYSA-N 274.433 3.885 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 279995875 CWKKZXJRUVAQSU-PBHICJAKSA-N 296.414 3.892 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 280554572 PSISPKVQTVYZME-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccccc1OC(C)C 280717198 UOSDWGCNAWJMQH-WMZOPIPTSA-N 289.419 3.545 30 20 CHED C[C@H](OC(=O)[C@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1 281809215 GUHFDTXSHZHAIC-FZMZJTMJSA-N 293.313 3.988 30 20 CHED C=CC[C@@H](CC)NC(=O)N1Cc2cccc(Cl)c2C1 287245899 QIVSHPPJNIXREU-GFCCVEGCSA-N 278.783 3.720 30 20 CHED N#CCN[C@@H](c1c(Cl)cccc1Cl)C1CC1 290001653 ZBPPWKUZTJCBPV-GFCCVEGCSA-N 255.148 3.558 30 20 CHED C=C[C@](C)(CC)c1nc(C(CC)(CC)OC)no1 290404707 IDSHHUBYRSCZMA-CYBMUJFWSA-N 252.358 3.585 30 20 CHED C[C@H](NC(=O)CCCC#N)c1cc(Cl)ccc1Cl 291853445 GRRIPVWOLYECFT-VIFPVBQESA-N 285.174 3.864 30 20 CHED C[C@@H]1CC(C)(C)N(C(=O)CCCC#N)c2ccccc21 291904342 XPVOFSQQQCUTMX-CYBMUJFWSA-N 270.376 3.999 30 20 CHED C=CCN(CCC#N)C(=O)c1cc2cc(C)ccc2s1 292209376 BHDIEEMZWQWOLL-UHFFFAOYSA-N 284.384 3.752 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 293504257 NHJMSBILIIJVDB-JKSUJKDBSA-N 287.403 3.625 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C2CC2)c1 294457657 WAQOKMXEYYBBPB-GDZNZVCISA-N 254.377 3.907 30 20 CHED C#CCN(C(=O)Nc1cccc(SC(F)F)c1)C1CC1 296591801 VOORUPJTBGSBHT-UHFFFAOYSA-N 296.342 3.631 30 20 CHED C=CCCc1noc([C@H](C)[C@H]2OCCc3sccc32)n1 297290459 LSVWKSINAXRYGQ-QMTHXVAHSA-N 290.388 3.667 30 20 CHED N#Cc1c(Cl)cccc1N[C@@H]1CCOC2(CCC2)C1 297529766 PCUKOSPOZLGDPE-LLVKDONJSA-N 276.767 3.725 30 20 CHED Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCC#N 298890162 LDEFVIDFGDFBMT-LLVKDONJSA-N 271.389 3.683 30 20 CHED C=CCOc1ccccc1CNc1ccc(Cl)c(C#N)n1 301248764 LYUGVNONWKCTQQ-UHFFFAOYSA-N 299.761 3.784 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)c1snc(Cl)c1C#N 301920428 DYBZYEZGNJJEMH-PSASIEDQSA-N 269.801 3.683 30 20 CHED Cc1cc(CNc2ccc(C#N)nc2)ccc1Cl 302122141 GOIQUYPDZMSRNQ-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C#CCOCCNc1ccc2ccc(Cl)c(Cl)c2n1 302149942 LTMDXLAHJLTSKB-UHFFFAOYSA-N 295.169 3.603 30 20 CHED Cc1ccc(N/C(N)=N/CCc2ccc(C)cc2C)cc1 303895116 SYMMPRWHRLBJGR-UHFFFAOYSA-N 281.403 3.581 30 20 CHED CC(C)(C)CCCNc1snc(Cl)c1C#N 309349694 MMYMQZREPZMMDA-UHFFFAOYSA-N 257.790 3.906 30 20 CHED C[C@@H](C1CC1)N(C)c1cc(Br)c(C#N)cc1F 310311868 QUDMGNCHVAHEIU-QMMMGPOBSA-N 297.171 3.695 30 20 CHED O/C(=N/[C@H]1CCCC(F)(F)C1)c1cnc2cnccc2c1 328828990 QUMFJIYVXGMSHQ-LBPRGKRZSA-N 291.301 3.512 30 20 CHED CSc1n[nH]c(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)n1 329054835 HVOAXNVTOKPBOW-HBNTYKKESA-N 294.424 3.721 30 20 CHED CC1(C)CC[C@@H](C(O)=Nc2scnc2C2CC2)O1 330129928 KEZYOKATBBUDJS-VIFPVBQESA-N 266.366 3.566 30 20 CHED CC(C)c1ccsc1/C(O)=N/[C@@H]1CCCc2c[nH]nc21 330133092 QWFQPRCDBYOIAI-GFCCVEGCSA-N 289.404 3.977 30 20 CHED CC[C@H](C)C[C@H](C)/N=C(/O)N[C@@H]1CCO[C@@H](C(C)C)C1 330646286 ZCSXQZXJOIRKOO-BYNSBNAKSA-N 284.444 3.518 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/CC(C)(C)C)s1 330917319 LSBNALFASKTGIA-SECBINFHSA-N 270.398 3.591 30 20 CHED Cc1ncc(CN(C)c2cccc(Cl)c2C#N)s1 339038343 AXQZXTUMMKJOAQ-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C=CCCSCCC(=O)Nc1cc(F)cc(F)c1 339091663 OENBMABQYBIRTA-UHFFFAOYSA-N 271.332 3.603 30 20 CHED C=CCCSCC(=O)Nc1ccc(Cl)cc1 339092515 SUIGBUMDGYXWIN-UHFFFAOYSA-N 255.770 3.588 30 20 CHED C=CCC(C)(C)CNCc1ncc(-c2ccccc2)[nH]1 339415338 AGANDHHQKWIEPR-UHFFFAOYSA-N 269.392 3.769 30 20 CHED CC1(C)CN(CCCC2(C#N)CCOCC2)[C@H]2CCC[C@@H]21 339715171 CEQZNSGIBJLCHB-HOTGVXAUSA-N 290.451 3.597 30 20 CHED Cc1ccccc1C[S@](=O)Cc1ccc(CC#N)cc1 342100439 KMRYOSKLNMSGFX-HXUWFJFHSA-N 283.396 3.510 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCCc3cc(F)ccc32)c1 343513873 OOTWRSYONBLHOG-LJQANCHMSA-N 294.373 3.907 30 20 CHED C[C@@H](C(=O)NCC(C)(C)CCC#N)c1cc2ccccc2o1 345916572 WWTYTAJLSHUGQM-CYBMUJFWSA-N 298.386 3.982 30 20 CHED CCN(Cc1cc(C)c2ncccc2c1)C[C@@H](C)C#N 346223890 UYPJXRDVDSWVLY-ZDUSSCGKSA-N 267.376 3.525 30 20 CHED C=CCCN(C)C(=O)c1cccnc1Nc1ccccc1F 346819585 HPKHBHSCMUTITA-UHFFFAOYSA-N 299.349 3.612 30 20 CHED N#CCCN(CCc1ccccc1F)C1CCCC1 346941420 MHMUAMANSDZSCL-UHFFFAOYSA-N 260.356 3.526 30 20 CHED C=CCN(C(=O)C[C@H](OCC)C(C)C)c1ccccc1 348468836 ZNIXUBPXMUWWFZ-INIZCTEOSA-N 275.392 3.657 30 20 CHED COCCCOc1cccc(/C=C\c2ccncc2C#N)c1 349102497 AXRZBNFWLCVUMD-SREVYHEPSA-N 294.354 3.539 30 20 CHED N#CCCN(CC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 352575968 FDHILEICURIXHG-YESZJQIVSA-N 288.435 3.745 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Oc2ccccc2)nc1 352823103 CRJFDVIARSAGHJ-UHFFFAOYSA-N 295.342 3.752 30 20 CHED CCOc1cccc(CN(CCC#N)CCC(C)C)c1 353404261 OCTZMEAODNFJNG-UHFFFAOYSA-N 274.408 3.847 30 20 CHED CC1(C)CC(C(=O)N[C@H](CCC#N)c2ccccc2)C1 354193937 GDICYEJYYQTQOR-OAHLLOKOSA-N 270.376 3.584 30 20 CHED C=C(C)CN(C)C(=O)c1c(-c2ccccc2)noc1CC 356636071 TYPSIWHZJRGJDX-UHFFFAOYSA-N 284.359 3.552 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H](F)C1 357683599 VWRNYYRGZVKSMH-NSHDSACASA-N 272.245 3.515 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@H](C)C[C@H](C)C1 359249016 ZJGZLOUHXHIQGL-KGLIPLIRSA-N 288.439 3.604 30 20 CHED N#CCC[C@@H](Nc1nccc(C(F)F)n1)c1ccccc1 359589586 NALRMDUDKYVANX-GFCCVEGCSA-N 288.301 3.871 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(Cl)cc1C#N 359856482 OHNSQDVSPURXKN-UHFFFAOYSA-N 289.810 3.973 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCC(C)(C)C#N 360263334 BDVGIZMGEOVSBN-ZIAGYGMSSA-N 284.403 3.642 30 20 CHED C=CCOCCCC(=O)N(Cc1ccccc1)[C@@H](C)CC 361759182 HJORSROIZGGLLZ-INIZCTEOSA-N 289.419 3.797 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1CCCCC#N 366878553 FRVFWLTZXKIRMB-NVXWUHKLSA-N 256.393 3.948 30 20 CHED CN(CCC(=O)Nc1cccc(C#N)c1)C1CCCCCC1 386499630 PYBYCZBVVDUQIC-UHFFFAOYSA-N 299.418 3.541 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(Br)c1 398287629 VTCZFNARMHVGMZ-LLVKDONJSA-N 296.208 3.924 30 20 CHED C=CC[C@@H](CC)NC(=O)COc1cc(C)ccc1C(C)C 410140834 SLCHSSPTBHYFFO-OAHLLOKOSA-N 289.419 3.968 30 20 CHED C=CCC[C@@H](NCCc1cncs1)c1ccccc1 411471891 LTPHWNIRLBDSGL-MRXNPFEDSA-N 272.417 3.983 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CS[C@@H](C)C1 412604085 PCNWJCXPFWPCDE-NWDGAFQWSA-N 293.457 3.589 30 20 CHED COc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)CCC2 414168546 QSNFQZSOADTPTR-MRXNPFEDSA-N 272.392 3.602 30 20 CHED C=C(CC)CSCc1ccn(CC(F)(F)F)n1 419443165 PBXDNMUTIHKDOW-UHFFFAOYSA-N 264.316 3.645 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2c(F)cccc2F)CCC1 421547402 WRXICAUHSAMVGS-GFCCVEGCSA-N 293.357 3.857 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCC1(C)C 425126891 IILWWCZZBXFPOX-CJNGLKHVSA-N 284.403 3.904 30 20 CHED COc1ccccc1NCC#Cc1ccc(Cl)cc1 426314870 RIZVJJWYVWAPGO-UHFFFAOYSA-N 271.747 3.812 30 20 CHED C=C(C)CNC(=O)Nc1ccc2oc(C)c(C)c2c1 429551129 ZTDIZICJCBEDLT-UHFFFAOYSA-N 258.321 3.747 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCSC(C)(C)CC1 432559169 CBUKLBMZZAMPSA-UHFFFAOYSA-N 284.469 3.516 30 20 CHED Cc1ccc(F)c(CN(C)C(=O)Nc2cccc(C#N)c2)c1 435907255 OTBHWEXNQYQKGF-UHFFFAOYSA-N 297.333 3.670 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccccc2OCC(F)(F)F)C1 442869091 AMDMYVOADFUSPG-GHMZBOCLSA-N 284.281 3.732 30 20 CHED CCCc1cc(O)nc(S[C@H](C)c2cccc(C#N)c2)n1 442911745 KCWLMOOORWQXJC-LLVKDONJSA-N 299.399 3.860 30 20 CHED Cc1cc(CNc2ccc(-n3cccn3)cc2)ccc1C#N 443995182 UZEJRXBQDDUMMF-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=C(C)CN1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 444698619 CRJUQAHLSHIAJA-WFASDCNBSA-N 265.784 3.678 30 20 CHED CC1(C)CCCN(CCCCOc2ccccc2)[C@@H]1C#N 444726936 CXIVLDUDOBZWRG-QGZVFWFLSA-N 286.419 3.860 30 20 CHED CC(C)[C@H](CC(F)(F)F)N[C@@H]1CCC[C@H](C#N)C1 446814863 ZWIOBWPOZOPTEX-TUAOUCFPSA-N 262.319 3.635 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)CC1 448912749 QZSNSWZNISKJEU-DLBZAZTESA-N 269.388 3.749 30 20 CHED C=CCSCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 449131560 NSZXIZTXJWXEKT-LLVKDONJSA-N 287.350 3.600 30 20 CHED CCCCn1ncc(Nc2cccc(C#N)c2[N+](=O)[O-])c1C 450387609 HFCICTKAXYBSHH-UHFFFAOYSA-N 299.334 3.515 30 20 CHED CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 452037138 UHKDQJBCDCAUOA-KBRIMQKVSA-N 272.392 3.557 30 20 CHED C=CCC1(CN[C@H](C)c2cnn(CC)c2)CCCC1 453389843 XWEVUBFVJLCBCW-CQSZACIVSA-N 261.413 3.690 30 20 CHED C=C(CC)CNC(=O)N1CC(C)(C)[C@@H]1c1cccs1 455541771 QMLZFYRIVKULLO-ZDUSSCGKSA-N 278.421 3.807 30 20 CHED CCC[C@H]1C[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 455698780 GKWSUUZHBQZHCX-SMDDNHRTSA-N 291.782 3.716 30 20 CHED CCN(CC1CC1)C(=O)Nc1ccc(CC#N)cc1Cl 455701557 JPJQNEJZZWAFEH-UHFFFAOYSA-N 291.782 3.670 30 20 CHED CCC(CC)N(CC)C(=O)Nc1cnc(C#N)c(Cl)c1 455755841 GRHZOEFRUMSMEU-UHFFFAOYSA-N 294.786 3.649 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 457315342 ZFHCTRIKXUXNFV-VQIMIIECSA-N 296.414 3.796 30 20 CHED C=CCC1(NC(=O)NCCC(C)(F)F)CCCCC1 458905407 DQCOMPQZWWTPOH-UHFFFAOYSA-N 274.355 3.610 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1ccc2c(c1)CCC2 459332700 YWRVJYIBBPDQCN-ZIAGYGMSSA-N 256.393 3.718 30 20 CHED C=C(CC)CN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 463216676 WGZUWGNXYVKUFT-TWMKSMIVSA-N 265.441 3.604 30 20 CHED CCc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)sc1C 464168730 MCWZRNSINIMXSI-OAHLLOKOSA-N 278.421 3.677 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 466402170 RYFVGPJMXFAODX-HYVNUMGLSA-N 286.419 3.929 30 20 CHED C=CCCN(C)C(=O)c1cccn1[C@@H](C)Cc1ccccc1 466637552 ZZDTVNOTUIXOLY-INIZCTEOSA-N 296.414 3.940 30 20 CHED C=CCn1c(SCC[C@@H]2CCCO2)nc2ccccc21 468474227 FRNMWYMKNOQEPX-ZDUSSCGKSA-N 288.416 3.884 30 20 CHED CCN(CCc1ccccc1)Cc1cc(F)ccc1C#N 468780425 AZNVNJHWDKHJDN-UHFFFAOYSA-N 282.362 3.762 30 20 CHED C=CCC[C@H](O)CN(Cc1ccccc1F)CC(C)C 472760162 RVQMEBLSZRPHNW-INIZCTEOSA-N 279.399 3.611 30 20 CHED C=CCCCCNC(=O)NCc1ccc(OCCC)cc1 472864297 RBMURESRKRUNRE-UHFFFAOYSA-N 290.407 3.631 30 20 CHED CC#CCNC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 477381373 CELDVNCCHVZGAH-UHFFFAOYSA-N 291.394 3.771 30 20 CHED C=C(C)CS(=O)(=O)N(C)[C@H](c1ccccc1C)C(C)C 477582353 VSSPUWBVSVREIG-INIZCTEOSA-N 295.448 3.530 30 20 CHED CCCCOc1ccc(NCc2ccc(C#N)cc2)cn1 478622175 NYGGUJFGDTZVNI-UHFFFAOYSA-N 281.359 3.744 30 20 CHED CC[C@H](C)CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 480111000 RTZAGBVJKULZIA-GXFFZTMASA-N 298.308 3.822 30 20 CHED N#Cc1ccc(Oc2ccc(OC[C@H]3CCOC3)cc2)cc1 480333828 XFBILMUWQBMDGR-HNNXBMFYSA-N 295.338 3.766 30 20 CHED C=CCCCCCSCC(=O)NCc1ccccc1F 485594487 PKWAOPPIHWBXAC-UHFFFAOYSA-N 295.423 3.922 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)s2)cc1 486639200 JIHQVGNIKMLEAE-HNNXBMFYSA-N 296.395 3.906 30 20 CHED Cc1nc(N2CC[C@H](C)C[C@H]2c2ccco2)ccc1C#N 488065127 BRPGITMXKNYYBH-WFASDCNBSA-N 281.359 3.832 30 20 CHED C[C@H](NC1CCC2(CC1)CC2)c1ccc(C#N)cc1 488419879 KTXOASUXSRZWDY-ZDUSSCGKSA-N 254.377 3.932 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)[C@H](C)CC#N 488730534 IAOMWXZFJMNEEE-KFWWJZLASA-N 284.403 3.737 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NC1(C#N)CCC1 489729994 RVWJDCDHDZTJRS-KGLIPLIRSA-N 282.387 3.538 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 491808455 VYSYCDPOZUQAAU-KBPBESRZSA-N 297.320 3.641 30 20 CHED CC[C@@H]1C[C@@]1(NCCCSCC#N)c1cccc(C)c1 502592532 GGKVSDHMHJEQPV-WBVHZDCISA-N 288.460 3.857 30 20 CHED CN(C(=O)NCC(C)(C)C#N)C1CCC(C(C)(C)C)CC1 512923399 TYTJWEYNXLMVRD-UHFFFAOYSA-N 293.455 3.782 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C1 514139587 CREYVIZOMPZIRH-JTQLQIEISA-N 276.767 3.976 30 20 CHED CC1(C)Cc2cc(CN3CCC(CCC#N)CC3)ccc2O1 514605371 POEUWFOFNPOSAP-UHFFFAOYSA-N 298.430 3.916 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](c1ccccc1)C1CCC1 517142122 ISTJSJNBHGNSQP-QGZVFWFLSA-N 284.403 3.911 30 20 CHED CCC(CC)N(CC)C(=O)Nc1scc(C)c1C#N 518996119 STUCOYAAJFPMEP-UHFFFAOYSA-N 279.409 3.971 30 20 CHED CC(C)n1cc([C@@H](C)Nc2ccc(F)cc2C#N)cn1 524686544 RMJINSLORCFMCL-LLVKDONJSA-N 272.327 3.648 30 20 CHED C[C@H](N(C)C(=O)C[C@H](CC#N)c1ccccc1)C(C)(C)C 527243673 JCUNLBXSLVIKKE-HOCLYGCPSA-N 286.419 3.967 30 20 CHED CCC[C@H](OCC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 527869078 NNBIJAZNDAYANE-HNNXBMFYSA-N 288.391 3.631 30 20 CHED CCC(C#N)(CC)C(=O)N1CCc2cc(Cl)ccc2C1 529140330 CSAIZAVSHSXFIQ-UHFFFAOYSA-N 290.794 3.555 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 529164246 WAEGOIJYPPKHPR-UHFFFAOYSA-N 298.386 3.938 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@H]1CCCCC(F)(F)C1 529419784 VIOMRCMMUVQPJV-LBPRGKRZSA-N 286.366 3.648 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2occc2c1 530004877 XBCMWPURBYZYDD-UHFFFAOYSA-N 256.305 3.701 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CC12CCCCC2 532893273 HGKJYNTUOOHNJF-AWEZNQCLSA-N 268.360 3.776 30 20 CHED C=C(C)[C@@H](CC(=O)NCC1(CC(C)C)CCC1)OCC 535910719 PPKAATNKBKVGFG-OAHLLOKOSA-N 281.440 3.690 30 20 CHED CC[C@@H](C)NC1CCC(Oc2ccccc2C#N)CC1 539081952 BLKKSAXTIKZXIA-IUDNXUCKSA-N 272.392 3.636 30 20 CHED C=C(CC)CSc1ccc2c(c1)OCCCO2 540210758 BVESCKOBTBGIAD-UHFFFAOYSA-N 250.363 3.906 30 20 CHED CC(C)N(C/C=C\c1ccc(F)cc1F)CCC#N 543634230 OFRDVAHWQUTUKU-HYXAFXHYSA-N 264.319 3.602 30 20 CHED N#Cc1cccc(CN[C@H](Cc2ccccc2)C2CC2)c1F 544445164 QZVQXQNZKLYLPB-GOSISDBHSA-N 294.373 3.808 30 20 CHED C[C@H](C#N)CN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 546654543 GRRASASCBPIFMB-DFBGVHRSSA-N 262.784 3.725 30 20 CHED Cc1cc(F)ccc1CN(C#N)c1ccc(F)c(C#N)c1 548469942 XEMWNQQNFXRMKC-UHFFFAOYSA-N 283.281 3.633 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@H]1CCCC[C@H]1C 551182652 YNPABAMKACBTBK-ZIAGYGMSSA-N 251.414 3.921 30 20 CHED Cc1cc(Br)ccc1CN(CCC#N)C(C)C 552071732 SKSHOPZCQRXFLW-UHFFFAOYSA-N 295.224 3.882 30 20 CHED Cc1c(Cl)cnc(N2C[C@H]3CCC[C@@H](C3)C2)c1C#N 553602459 XGKZXHRELXVBEH-RYUDHWBXSA-N 275.783 3.542 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(C)CCCC 555241393 YNGKATVGCMENRP-CYBMUJFWSA-N 264.417 3.604 30 20 CHED C=CCCCCCN(C)c1nnc(C2CC2)n1CC(=C)C 555257369 OYVJUIHGULWJSU-UHFFFAOYSA-N 288.439 3.914 30 20 CHED Cc1cc(C#N)cnc1C(=O)NCC1(CC(C)C)CCCC1 556581816 BWNJCQWCCUABSD-UHFFFAOYSA-N 299.418 3.598 30 20 CHED C=CCCCCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 561270852 UAAUXOBLMPVLFR-UHFFFAOYSA-N 262.309 3.566 30 20 CHED COCC1(CN[C@@H](C)c2cccc(C#N)c2)CCCCC1 562091973 OATWUKAARGKBII-HNNXBMFYSA-N 286.419 3.806 30 20 CHED C=CCN(Cc1cccs1)Cc1cc(C(=O)O)oc1C 565104994 PYFNOWGGUXLRGO-UHFFFAOYSA-N 291.372 3.536 30 20 CHED CC[C@@H](CC#N)NCc1nc2ccccc2c(C)c1Cl 567404171 ZOJCIVMYPUHYLY-LBPRGKRZSA-N 287.794 3.979 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2ccccc2C1 570048407 TUFJAXUWZYPKFZ-PBHICJAKSA-N 271.404 3.653 30 20 CHED CC#CCN(C)C(=O)CCCc1ccc(Cl)c(Cl)c1 571796845 DKSNMYKIQDGNHM-UHFFFAOYSA-N 298.213 3.798 30 20 CHED C=CCCCCCN1CCC[C@@H](OCC(F)(F)F)C1 574893120 LZATYDBUBXSGEH-CYBMUJFWSA-N 279.346 3.776 30 20 CHED C=CCCCc1nc(Cc2ccccc2OC(F)F)no1 575632031 JHCHPWANFATOGO-UHFFFAOYSA-N 294.301 3.771 30 20 CHED CC[C@@H](NCc1ccc(OC)cc1F)c1ccc(C#N)cc1 583421044 WNVNYFSDUJIQTB-GOSISDBHSA-N 298.361 3.947 30 20 CHED N#CCCC1CCN(Cc2ncc(-c3ccccc3)o2)CC1 583750302 HVHVFOCOHHHTFM-UHFFFAOYSA-N 295.386 3.857 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1scc(C)c1C#N 584061543 ODRCFWRNHCMWGN-GHMZBOCLSA-N 277.393 3.723 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(c2cc(C#N)ccn2)C1 587993995 FPDJAMWWXJARPF-LJQANCHMSA-N 291.398 3.802 30 20 CHED CCOc1ccc(O)c(/C=N\CCC[C@@H]2CCCCO2)c1 588457749 IWWIRWLZBUSOOT-LUJRCDHRSA-N 291.391 3.559 30 20 CHED C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccsc1 589344249 VQDOHOFGSZQJOD-BZNIZROVSA-N 268.385 3.958 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 590673271 YRWAFNXDGGDBSX-UNEWFSDZSA-N 284.403 3.952 30 20 CHED C=CCCCCSCc1nc(C(=O)OCC)cs1 591395272 CEIXSARAPUXAHI-UHFFFAOYSA-N 285.434 3.909 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H]2C[C@H]21 591941484 LYDICAOXLZJCCV-QMTHXVAHSA-N 283.762 3.749 30 20 CHED N#Cc1cccc(F)c1Cc1nc([C@@H]2CCC[C@H]3C[C@@H]32)no1 594534957 FXCCQJUGBLQDGU-UHTWSYAYSA-N 297.333 3.575 30 20 CHED CCN(Cc1cccc(Cl)c1Cl)[C@@H](C)C#N 595820100 JIYHKSVHPTXRKV-VIFPVBQESA-N 257.164 3.727 30 20 CHED N#C[C@H]1CC[C@H](N2CCC3(C=Cc4ccccc4O3)CC2)C1 595876293 BACACNSVNCRILT-RDJZCZTQSA-N 294.398 3.619 30 20 CHED C=CCC1(NC(=O)Nc2ccc(C#N)cc2)CCCC1 596480567 RXTGHBNTXBTUAV-UHFFFAOYSA-N 269.348 3.569 30 20 CHED CCCn1nc(C)c(-c2ccc(C)c(C#N)c2)c1C 596640999 TVDOXGZBLJYISE-UHFFFAOYSA-N 253.349 3.757 30 20 CHED CC(C)(CCC#N)CN1CCC([C@@H]2CCCCO2)CC1 597226778 YUMVOABMXXZOEO-INIZCTEOSA-N 278.440 3.597 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)CC2(C#N)CCCCC2)C1 597294408 QVOSCVBOSNFGQF-LSDHHAIUSA-N 276.424 3.888 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(C(C)(C)C#N)cc1 598521481 HYYNRTVNBQHBJZ-UHFFFAOYSA-N 284.403 3.962 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(CSC)c1 599430142 MIURXHUKSFNQNS-UHFFFAOYSA-N 276.405 3.818 30 20 CHED N#Cc1ccccc1S[C@H]1CCO[C@H](c2cccnc2)C1 600524112 COBKYOAYANMSQT-HOTGVXAUSA-N 296.395 3.966 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1CCC=CCC1 602081252 VBRKCTAUHZLDHM-UHFFFAOYSA-N 284.359 3.642 30 20 CHED CCN(Cc1cccc(F)c1N)[C@@H](C)c1ccc(C#N)cc1 602443746 KWESWSQVVHKJSG-ZDUSSCGKSA-N 297.377 3.863 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1N)CC(C)(C)C#N 602676081 QKMCQNOVMDCNIC-UHFFFAOYSA-N 286.206 3.557 30 20 CHED CCCCc1c(C)nn(-c2cccc(C#N)c2)c1C 603924129 ZRIKGXWZOPZYRJ-UHFFFAOYSA-N 253.349 3.703 30 20 CHED C=CCCC(=O)Nc1ccc2c(cnn2C(C)C)c1 604994045 GDAIADXQSVWNKH-UHFFFAOYSA-N 257.337 3.522 30 20 CHED N#Cc1c(N2CCC(C3CCCC3)CC2)nc2ccccn12 611754229 QRNFTQLBPFXOCI-UHFFFAOYSA-N 294.402 3.613 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCc2ccc3[nH]ccc3c2)C1 617781743 SYQKRWNQZKICLU-INIZCTEOSA-N 296.414 3.915 30 20 CHED CCCCN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CC1 618845630 FQQGPDLTAHNHAF-KRWDZBQOSA-N 297.402 3.520 30 20 CHED C=CCN(C(=O)Cc1ccc(Cl)c(F)c1)C(C)(C)C 622944693 BACWARWEHXOXMX-UHFFFAOYSA-N 283.774 3.835 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C(C)(C)CC)o2)C1 641657317 SLWLDRBWWLZPKB-GFCCVEGCSA-N 263.385 3.550 30 20 CHED Cc1cscc1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 647378431 YYZLYDXFIWIEAL-SNVBAGLBSA-N 288.397 3.881 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)c1ccc(Cl)cc1 650069151 OZVPKESOTHNUPZ-NSHDSACASA-N 251.757 3.526 30 20 CHED C=CCCC(C)(C)NCc1cc(OC)cc(OC)c1 657804649 AOLPMTVLYWICFN-UHFFFAOYSA-N 263.381 3.538 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C(F)F)nc1 658003732 PBXSXORYTRDSPE-KYOSRNDESA-N 296.361 3.651 30 20 CHED C=CCCC(C)(C)NC(=O)N1CCc2ccccc21 660141309 BSWZFKUAQRTHOY-UHFFFAOYSA-N 258.365 3.504 30 20 CHED C=CCN(CC(=O)Nc1cc(C)ccc1C)C(C)(C)C 661755623 WFTNODNWBYJDFU-UHFFFAOYSA-N 274.408 3.528 30 20 CHED C=CCc1cccc(F)c1OCc1oc(CC)nc1C 664100316 HYRPFDMEPOQZDH-UHFFFAOYSA-N 275.323 3.992 30 20 CHED C=C(CNC(=O)[C@@H](C)c1ccccc1)c1ccccc1 672482036 NEEGMVMLLNIGCD-HNNXBMFYSA-N 265.356 3.620 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCc2c(C)cccc21 685549810 CPXNQNDRFPGLHU-UHFFFAOYSA-N 282.391 3.590 30 20 CHED CCCCCCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 713566769 USZPLZWKJNSAHC-RRFJBIMHSA-N 251.414 3.504 30 20 CHED CCC(=NNc1nc(-c2ccccc2)no1)c1ccccc1 726739997 ZVKNDBJWNWIDBC-UHFFFAOYSA-N 292.342 3.963 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(C)c(C)c1O 728157061 SDMPOOUTUSTMMH-UHFFFAOYSA-N 272.323 3.984 30 20 CHED Cc1ccc(/C=C\C(=O)c2c(C#N)c3n(c2C)CCC3)cc1 730085314 NZHWMOZSWWTJEW-KTKRTIGZSA-N 290.366 3.819 30 20 CHED CCOc1ccc(C=NNC(CC)CC)cc1OCC 734366082 DTOGDJVSXVXABF-UHFFFAOYSA-N 278.396 3.596 30 20 CHED CCO[C@H]1CC(=NNc2ccc(F)cc2F)C1(C)C 736427997 DVFQVHYLTLCWBQ-ZDUSSCGKSA-N 268.307 3.568 30 20 CHED C=C(Cl)CN1CCC(c2ccccc2F)CC1 736945546 GGIQNEVGNXMOLU-UHFFFAOYSA-N 253.748 3.758 30 20 CHED COc1cc(/C=C\C(=O)c2ccsc2)ccc1OCC#N 749105402 SIXFDWDBMVDXBZ-RQOWECAXSA-N 299.351 3.555 30 20 CHED C[C@@H](C=NNc1ccccn1)CCc1ccccc1 749156755 NJASKZOAHMMCAZ-CQSZACIVSA-N 253.349 3.748 30 20 CHED CCC(=NNc1ccc(F)cc1C)c1c(C)nn(C)c1C 750945490 HDOLBOGXJSCIEC-UHFFFAOYSA-N 288.370 3.711 30 20 CHED CCC1(CNCc2ccc(O[C@@H](C)C#N)cc2)CCC1 752266402 QFSCOANANQLJLE-AWEZNQCLSA-N 272.392 3.647 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)c1ccccc1C(F)(F)F 753423706 GELWMCUKJSNMEW-UWVGGRQHSA-N 285.265 3.654 30 20 CHED CC(C)c1cnc(NCc2ccc(OCC#N)cc2)s1 754031445 UYRUHJHEBDEBOK-UHFFFAOYSA-N 287.388 3.781 30 20 CHED C=C(C)[C@H](CC(=O)NC1CCCCCCC1)OCC 755386225 QWKUFUWQDDEPBA-HNNXBMFYSA-N 267.413 3.587 30 20 CHED C#CC[C@H](NC(=O)NC1CCCCCC1)c1ccccc1 757059329 QGPPODGEIBPIQV-KRWDZBQOSA-N 284.403 3.773 30 20 CHED COC(=O)c1ccc(/C=C2\CCCC(C)(C)C2=O)cc1 757535798 VWIAHBKFMZBFEY-SDNWHVSQSA-N 272.344 3.636 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(C#N)cc1F 759009411 DYVLUJXCAJNGLO-UHFFFAOYSA-N 273.307 3.509 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)ccc2F)C1(C)C 759667944 ZORUYZRCQKHLOV-CQSZACIVSA-N 264.344 3.737 30 20 CHED CC(C)CC(=NNc1cccc(C#N)c1)c1ccccn1 760240938 YKGNXLDMOCIHAA-UHFFFAOYSA-N 278.359 3.816 30 20 CHED Cc1cc(CNCc2cc(C#N)ccc2F)c(C)s1 760677852 DKFUZFCNZYZGAT-UHFFFAOYSA-N 274.364 3.666 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H](C)c2ccc[nH]2)c1 760766195 HHEWLUMKOUZRKX-CYBMUJFWSA-N 299.374 3.852 30 20 CHED Cc1sc(Cl)nc1C(=O)N(CCC#N)CCC(C)C 762888580 KVOBAKCWNJLNKR-UHFFFAOYSA-N 299.827 3.507 30 20 CHED CCCCCCCc1nc([C@@]2(C)CCCO2)no1 763320233 IJWOBWMRTIXIDQ-CQSZACIVSA-N 252.358 3.608 30 20 CHED CC(CCc1ccsc1)=NNc1cc(Cl)nc(C)n1 764908805 DTFIFQTXEMIZBN-UHFFFAOYSA-N 294.811 3.921 30 20 CHED N#Cc1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 765013512 HUNSLVHVEDCICG-GOSISDBHSA-N 294.423 3.678 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ccc(C(=O)O)cc1 766992269 APHXSNXURCMDOL-UHFFFAOYSA-N 298.342 3.538 30 20 CHED C#CCCCCCC(=O)N1Cc2ccccc2C[C@@H]1CC 767139197 GGABNBKXOQUOLW-SFHVURJKSA-N 283.415 3.934 30 20 CHED CC1(C)CN(c2snc(Cl)c2C#N)CC(C)(C)C1 767211560 DOGVKPDGMMUUNM-UHFFFAOYSA-N 283.828 3.931 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(OCCCC)cc1Cl 767253174 MMAQMMYLZHTHNA-GFCCVEGCSA-N 293.794 3.613 30 20 CHED C=C[C@@](C)(CC)C(=O)OCCCCC(C)(C)C#N 768879245 PKRFANLVSPNNDN-HNNXBMFYSA-N 251.370 3.852 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@H]1CCC[C@H]1C 769472977 HJSCDQNQZBPRKX-CHWSQXEVSA-N 289.350 3.603 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1ccc(C)c(C)c1 769821322 QMAHGANJDCGUAX-UHFFFAOYSA-N 277.371 3.689 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ccc(C(=O)O)cc1 773180665 PSABMQQXMBTTTO-SWLSCSKDSA-N 272.348 3.775 30 20 CHED CC(=NOC1CCCC1)c1cccc([N+](=O)[O-])c1C 774603221 PJUQYUJUGBRLIS-UHFFFAOYSA-N 262.309 3.586 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NOC1CCCC1 774603223 PKJVHPNUCIZDBW-UHFFFAOYSA-N 276.336 3.863 30 20 CHED CC[C@H](NCC1(C#N)CC1)c1ccc(OC(F)F)cc1 776009292 FUVOLBYZEQDLCA-ZDUSSCGKSA-N 280.318 3.632 30 20 CHED COc1cccc(OC)c1/C=C1\Cc2cc(C)ccc2C1=O 776190257 QEDOQCXSRZNNSU-SDNWHVSQSA-N 294.350 3.835 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1occc1C 776786566 YWEUMGMXTFQEDD-UHFFFAOYSA-N 265.316 3.891 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc(CC(=O)O)cc1 777916044 TYTNWUYTZOVQIE-CLFYSBASSA-N 298.313 3.657 30 20 CHED C=C(C)CN(C)Cc1cc(OC)cc(C(C)(C)C)c1O 777961024 RNWQGSYPZRXPMH-UHFFFAOYSA-N 277.408 3.706 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)Nc1cccc(C)c1C 778248883 ZAVMRMLQCRYSRM-UHFFFAOYSA-N 298.308 3.723 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1cnn(C)c1C 778538809 VJFZFJIWPZQJSW-UHFFFAOYSA-N 297.189 3.871 30 20 CHED C[C@]1(C#N)CCCN([C@@H]2CCc3cc(Cl)ccc32)C1 782192602 JBWPBTBPJZAKKH-HZPDHXFCSA-N 274.795 3.953 30 20 CHED COc1ccc(NN=Cc2cnc(-c3ccco3)s2)cc1 782252566 BLDAOKMHMISFOB-UHFFFAOYSA-N 299.355 3.858 30 20 CHED Cc1cc(C(=O)/C=C/c2scnc2C2CC2)ccc1O 782327568 RQHQVBNJVOOJFN-VOTSOKGWSA-N 285.368 3.931 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccco2)cc1F 782346522 AEHSKKXQTCGSBZ-ALCCZGGFSA-N 260.264 3.714 30 20 CHED C=CCCCCCOC(=O)/C=C/c1ccc(OC)c(O)c1 783081372 SDJAIJCWMDMGGD-PKNBQFBNSA-N 290.359 3.704 30 20 CHED N#Cc1ccc(OCCCCCCCO)cc1Cl 783985374 AYWHOWPGKFSNFI-UHFFFAOYSA-N 267.756 3.533 30 20 CHED CO[C@H]1Cc2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2C1 784075938 HSCVCKUXGFBMAF-DJJJIMSYSA-N 292.382 3.845 30 20 CHED CCN(CC)c1ccc(CNc2nccc(C)c2C#N)cc1 784150874 GSYBEMHWHGDYIR-UHFFFAOYSA-N 294.402 3.720 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 785415703 KTAAOWDBTHLGLR-RHSMWYFYSA-N 289.423 3.560 30 20 CHED CC(C)C(C=NNc1cccc([N+](=O)[O-])c1)C(C)C 788950828 KLETZJQQCKYYMB-UHFFFAOYSA-N 263.341 3.921 30 20 CHED CCCCCCCCC(=O)NCC1(SC)CC1 790078666 SFZJVKLPGXSRRJ-UHFFFAOYSA-N 257.443 3.749 30 20 CHED CC[C@H](C)NN=C(C)c1ccccc1Br 790188686 HHANHIKJZDEDSN-VIFPVBQESA-N 269.186 3.561 30 20 CHED C=CCN(Cc1ccnn1-c1ccccc1C)C(C)C 792796181 ZAHAVOCMQXQSLP-UHFFFAOYSA-N 269.392 3.577 30 20 CHED CCc1ccccc1NN=C1CC[C@H](CC(=O)OC)[C@@H]1C 794494378 TUQWGWCWTUSYND-GXTWGEPZSA-N 288.391 3.626 30 20 CHED FC(F)(F)CCNN=C1CCCc2c(Cl)cccc21 794547660 JEOKJYSEVFPFBL-UHFFFAOYSA-N 290.716 3.922 30 20 CHED FC(F)(F)CCNN=Cc1cnc(-c2ccccc2)s1 794551050 AIYMQKXPVXKMOQ-UHFFFAOYSA-N 299.321 3.686 30 20 CHED c1ccc([C@H]2CCCC2=NNc2ccc3[nH]ncc3c2)nc1 794928339 WUSPWJWZKKUMEJ-CQSZACIVSA-N 291.358 3.694 30 20 CHED Cc1cc(Cl)ccc1C=NNc1ncccc1F 794989928 JOCGWIOOCKFLFO-UHFFFAOYSA-N 263.703 3.629 30 20 CHED Fc1cccc(NN=Cc2ccccc2OC(F)(F)F)n1 795010246 ZDTPTLRAMGICBI-UHFFFAOYSA-N 299.227 3.565 30 20 CHED CN(c1snc(Cl)c1C#N)[C@@H]1CCC(C)(C)C1 795271194 SLHOMBWBKFQGSU-MRVPVSSYSA-N 269.801 3.683 30 20 CHED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(C)(C)C#N 796783033 GPMOHKCDMWYMBQ-UKRRQHHQSA-N 284.359 3.555 30 20 CHED C#Cc1ccc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc1 797406554 CYZJEXDDGYEZIB-BZUAXINKSA-N 283.371 3.579 30 20 CHED CNc1ccc(C#N)cc1NC(=O)/C=C(\C)c1ccccc1 798265160 AHJXWSXVZQREOE-JLHYYAGUSA-N 291.354 3.642 30 20 CHED COc1ccccc1CON=Cc1cc(Cl)cs1 799120487 XCOHEWMYAGVNFG-UHFFFAOYSA-N 281.764 3.961 30 20 CHED Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cc1C#N 799647684 AHKGQTGIYWOMGV-RDTXWAMCSA-N 290.366 3.700 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(N3CCCC3)c(F)c2)C1 799721389 DSTWDKDOLWUMBX-QWHCGFSZSA-N 273.355 3.530 30 20 CHED CC#CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 801111004 HYQSPCPCJCUYDW-UHFFFAOYSA-N 295.182 3.686 30 20 CHED C=CCN(Cc1ccc(C)cc1-c1ccnn1C)C(C)C 802638132 LNDCKCOINNLOGN-UHFFFAOYSA-N 283.419 3.792 30 20 CHED C[C@H](C#N)OCCSCc1coc(-c2ccccc2)n1 802749579 HFCQQHPBJSAHGE-GFCCVEGCSA-N 288.372 3.503 30 20 CHED CC1(C)CCC[C@H]1OC(=O)c1cc(C#N)ccc1Cl 803833070 NPOHDJHQEMWXTB-CYBMUJFWSA-N 277.751 3.947 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C[C@H](C)CC(C)C 804835816 BSCCCLHTMZMGDD-MRXNPFEDSA-N 271.404 3.721 30 20 CHED C=CCCCCCCNC(=O)c1cccc(C(C)=O)c1 805221873 WVXHXUBFFIASPB-UHFFFAOYSA-N 273.376 3.756 30 20 CHED CC(C)Oc1ccccc1COC(=O)CCCCCC#N 805698040 PEJGKWABBWMQQZ-UHFFFAOYSA-N 289.375 3.991 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@H]1CC 806003766 YSOCMYDZDJAPTO-CQSZACIVSA-N 252.402 3.707 30 20 CHED Cc1cc(C(=O)/C=C/c2nc3ccc(F)cc3s2)no1 806556401 SANXKHFVTNNRSS-SNAWJCMRSA-N 288.303 3.628 30 20 CHED CC(=NNc1cccc(F)n1)c1cc(Cl)cc(C)c1O 807987591 LPNDIGOTCTWZDD-UHFFFAOYSA-N 293.729 3.724 30 20 CHED C#Cc1ccc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 809587183 MVCQXBJUINPTIQ-KBXCAEBGSA-N 297.423 3.691 30 20 CHED CON=CC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 809691543 JJMWHXIJEYGVRH-ZDUSSCGKSA-N 296.798 3.566 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)[C@@H](C)OC)cc1 810258466 WBNSNVMHCARSDX-HZSPNIEDSA-N 297.826 3.892 30 20 CHED Cc1cc(C=NOC/C=C/Cl)c(C)n1-c1nccs1 811667906 GOCZMUPCMKFOBM-IZHGCUBQSA-N 295.795 3.654 30 20 CHED CCOc1ccccc1C(C)=NOC/C=C\Cl 811671703 JZAQAWSQDCHKHQ-DCQHWMSFSA-N 253.729 3.578 30 20 CHED FC(F)SCc1ccc(C=NOC/C=C\Cl)o1 811672374 XNHCQSTXWJAEOV-BHCMBYFYSA-N 281.711 3.838 30 20 CHED c1ccc(CN2C[C@H]3CCCC(=NOC4CCC4)[C@H]3C2)cc1 812237198 PATNFJLQQNQWNC-AEFFLSMTSA-N 298.430 3.844 30 20 CHED Cc1cccc(F)c1CNc1nc(C)c(C#N)cc1Cl 812460625 WZCDFDCJRXPKPX-UHFFFAOYSA-N 289.741 3.975 30 20 CHED Cc1nc(C(C)C)oc1COC(=O)C1(C#N)CCCCC1 813220813 ZBFCYZPZNHNAJL-UHFFFAOYSA-N 290.363 3.624 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cccc(CO)c1 814753082 FICYZDSOICGZMP-UHFFFAOYSA-N 268.360 3.632 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1cnc2ccccc2n1 814830353 IGRYRTJMLVBZCR-GFCCVEGCSA-N 293.374 3.748 30 20 CHED CCCC(=NNc1cnnc2ccccc12)c1ccccn1 814849334 QMAGJBJMLBGHAH-UHFFFAOYSA-N 291.358 3.641 30 20 CHED Fc1cc(NN=C2CC[C@H](c3ccccc3)C2)ccn1 814902875 YCIXZYOJTHLJME-ZDUSSCGKSA-N 269.323 3.956 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NN=C1CCC[C@H](C#N)C1)C2 814919096 LBKUNXZDGKBJDV-HPZZRFSDSA-N 273.424 3.861 30 20 CHED CCOc1ccc(NN=C(CC)c2cccc(N)c2)cc1 814984664 SOIMXGQHWZURRR-UHFFFAOYSA-N 283.375 3.894 30 20 CHED Cc1cc(CN(CCC#N)CCC(C)C)ccc1N(C)C 815057639 WXIJLUAYZXPRRT-UHFFFAOYSA-N 287.451 3.823 30 20 CHED C=CCC(F)(F)C(=O)N(CC)[C@H](C)c1ccc(F)cc1 815064495 FKMRAENXYNNTCH-LLVKDONJSA-N 285.309 3.947 30 20 CHED C=CCC(F)(F)C(=O)NCCCc1cccc(Cl)c1 815146735 ISCNTGZRARLHJO-UHFFFAOYSA-N 287.737 3.600 30 20 CHED C#CCCCCCC(=O)N1CC(C)(C)[C@H]1c1ccncc1 817176403 PTNQYTWBUBXKEV-QGZVFWFLSA-N 284.403 3.575 30 20 CHED C#CC[C@H](N[C@@H]1CCc2cccnc2CC1)c1ccccc1 817580017 GKJRITYIVRRFOV-QUCCMNQESA-N 290.410 3.683 30 20 CHED COc1cc(C(=O)/C=C/c2cccc(Cl)c2Cl)on1 821021007 ASTSCYWCSLEEBX-AATRIKPKSA-N 298.125 3.886 30 20 CHED CC[C@H](C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 821488374 LRGJYJDLABHYII-VIFPVBQESA-N 279.409 3.837 30 20 CHED CCCCC[C@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 822394254 LOSGPDYBJSKTLQ-XJKSGUPXSA-N 262.397 3.545 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(OC)c(CO)c1 823539063 WHYMQCLJTHUCIY-ZDUSSCGKSA-N 263.381 3.734 30 20 CHED C#Cc1cccc(CNCc2cccn2CCC(C)C)c1 825225886 AZNNUBCVLIXYGG-UHFFFAOYSA-N 280.415 3.805 30 20 CHED CC(C)CC1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 826937779 MMWJSMOZNQTFGU-GOSISDBHSA-N 288.435 3.745 30 20 CHED C=C(C)[C@@H]1CC=C(COC(=O)c2cncnc2C2CC2)CC1 835199944 ZGRQBGQUAWLYNF-CQSZACIVSA-N 298.386 3.813 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 835348208 LBVZCRFXUGYGKO-SNUQEOBHSA-N 293.370 3.632 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(OCC(F)(F)F)cc1 837322435 NXWROXGWFIPDGT-UHFFFAOYSA-N 299.292 3.616 30 20 CHED CC(C)c1cccc2c1CCN(C(=O)C#CC(C)(C)C)C2 837572390 LEDWIPLHKFYYDQ-UHFFFAOYSA-N 283.415 3.744 30 20 CHED C#CCCCN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 840727580 LAKRODXJHWLJOR-ZBFHGGJFSA-N 261.796 3.979 30 20 CHED Cc1c(C=NN(C)[C@H](C)CO)sc2c(Cl)cccc12 842538283 JWPXPAAAZVQQRJ-SECBINFHSA-N 296.823 3.510 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)/C=C/C1CCCC1 843565115 NQZDHYXMDOFZTQ-CVTTXWKISA-N 296.414 3.764 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(OCCC)c(Cl)c1 844511151 DNJQLWMGAHTENO-JTQLQIEISA-N 298.770 3.756 30 20 CHED C=C(C)CONC(=O)N[C@@H](C)c1ccc(SCC)cc1 845595390 GNKWZAALEDHTDW-LBPRGKRZSA-N 294.420 3.667 30 20 CHED CC1(C)CC[C@@H]1NCc1cc(Cl)ccc1OCC#N 846961071 NEGYKBSHTMFYRE-AWEZNQCLSA-N 278.783 3.521 30 20 CHED CCCOc1ccc(COC(=O)CCCC#N)c(C)c1 847917647 WJYZOCKFPDSBKX-UHFFFAOYSA-N 275.348 3.521 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCCC1(C)C 851205205 CZUBNUAKGTYAQJ-RYUDHWBXSA-N 251.370 3.684 30 20 CHED Cc1ccc(C)c(C(=O)O[C@H](C)CC(C)(C)C#N)c1 851214788 WZVOBRLOBBWELP-CYBMUJFWSA-N 259.349 3.789 30 20 CHED CO[C@H](C/N=C\c1cc(Cl)ccc1O)C1CCCC1 852998177 IAYPGIZSSVNJDP-GESOSKEOSA-N 281.783 3.670 30 20 CHED CC(C)CCCCCCNC(=O)N1CCC[C@@H](CC#N)C1 853221786 XVAXHPUIZLWZIY-INIZCTEOSA-N 293.455 3.928 30 20 CHED C=CCc1ccc(OCc2oc(C)nc2C)c(OC)c1 853644855 BZRZVGWWYCGBFS-UHFFFAOYSA-N 273.332 3.608 30 20 CHED C[C@@H](ON=CC1CC1)c1nc(-c2ccc(Cl)cc2)no1 853735334 RJWXAQQWUQEEIV-SECBINFHSA-N 291.738 3.863 30 20 CHED C#CCCCCC(=O)N[C@@]1(c2ccccc2)CC1(C)C 856458607 WHTVLLVHLNJFRW-GOSISDBHSA-N 269.388 3.622 30 20 CHED C[C@H]1CCC(=NNc2ncc(Cl)cn2)c2ccccc21 857221327 ZEJZWSMKRCOHFJ-JTQLQIEISA-N 286.766 3.844 30 20 CHED CCCCCCCNC(=O)N1CC2(CCOCC2)C[C@H]1C 858114542 MSBSOFHILRXZKZ-OAHLLOKOSA-N 296.455 3.557 30 20 CHED CCC(=NOC1CCOCC1)c1cc(C)ccc1C 863108608 ULQBJPXMPDWRPO-UHFFFAOYSA-N 261.365 3.613 30 20 CHED C=C1CCN(C(=O)Nc2sc(CCC)nc2C)CC1 864253067 MCPJVWSWRZUWMI-UHFFFAOYSA-N 279.409 3.588 30 20 CHED C=CCC[C@@H](NCc1cc(N)cc(F)c1)c1ccco1 873288308 BEBBVSBWSKQBQH-OAHLLOKOSA-N 274.339 3.798 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2nnc(C)o2)cc1 878905277 RZHLUXLIFDWWAT-UHFFFAOYSA-N 285.347 3.586 30 20 CHED C=C[C@@H](C)Nc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882081454 FQHZRKBAFGYUIG-NTCNTBNZSA-N 278.299 3.598 30 20 CHED CN(CCC(C)(C)C)C(=O)Nc1cc(C#N)ccc1F 888372292 SXSYLVAJFVRHDQ-UHFFFAOYSA-N 277.343 3.597 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(OC(C)(C)C)c1 888557952 HUCNCDUUWVLHMO-UHFFFAOYSA-N 274.364 3.742 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NC[C@H](C)CCC#N 895748484 YOQVUEPNRCUFPE-NVXWUHKLSA-N 258.409 3.783 30 20 CHED CS[C@@H]1CCCC(=NNc2cccc(C(=O)O)c2C)C1 901261176 CTZCZUNWKROMLG-GFCCVEGCSA-N 292.404 3.767 30 20 CHED C=CCn1c(S[C@@H](C)OCC)nnc1-c1ccccc1 901354712 VVDBYHKMFDAIES-LBPRGKRZSA-N 289.404 3.606 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)O 901689913 HZFADKKSYCDEQF-KKUMJFAQSA-N 281.440 3.990 30 20 CHED CC(C)(C#N)CCOc1ccc(Br)c(C#N)c1 901716155 VKSHWEMSNIUNON-UHFFFAOYSA-N 293.164 3.639 30 20 CHED CC[C@H](Nc1cc(C)ccn1)c1cccc(C#N)c1 902898730 UDQBKRBLJDPBDU-HNNXBMFYSA-N 251.333 3.825 30 20 CHED CCSc1ccc([C@@H](C)NCC(C)(C)C#N)cc1 903100172 IQIAGMIRRBCBBL-GFCCVEGCSA-N 262.422 3.999 30 20 CHED CCOCOc1cnccc1-c1ccc([C@H](C)C#N)cc1 904882153 LWERSTBUIFFWBW-CYBMUJFWSA-N 282.343 3.748 30 20 CHED CCCc1ccc(C(C)=NNc2cc(C)nc(C)n2)cc1 915970839 PDOXVLATDNURRX-UHFFFAOYSA-N 282.391 3.882 30 20 CHED Cc1sc2ncnc(NN=Cc3ccsc3)c2c1C 916309097 DUUOUFDWQOZLDK-UHFFFAOYSA-N 288.401 3.816 30 20 CHED C=C(Cl)COC(=O)COc1c(Cl)cccc1Cl 916609959 KEBOJKPSLZWCSM-UHFFFAOYSA-N 295.549 3.668 30 20 CHED CCCCCCCOC(=O)c1cccnc1N1CCCC1 919002467 YFYDCRVBQUZVRG-UHFFFAOYSA-N 290.407 3.809 30 20 CHED CCC/C=C\C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 920744379 MLJFJCROQQRGNA-WBTMPAOCSA-N 270.376 3.824 30 20 CHED COc1cc(N[C@H](C)CC(C)(C)C#N)cc(OC)c1C 926479413 YYFOCVCTMFPYCY-LLVKDONJSA-N 276.380 3.753 30 20 CHED COc1cc(F)cc(C[C@@H](C)N[C@H](C)CC(C)(C)C#N)c1 926556433 XRXYRBBFALJWPE-CHWSQXEVSA-N 292.398 3.683 30 20 CHED Cc1ccc(C)c(C2CCN(C[C@H](C#N)CCC#N)CC2)c1 934800135 WLDBBZUYHNKLDB-KRWDZBQOSA-N 295.430 3.926 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(Cl)c(O)cc1F 935973319 SPQBQKOOMXQGTN-QMMMGPOBSA-N 271.719 3.726 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)CCc2ccc(Cl)c(F)c2)C1 1122655391 KRMHBTRPJOLBAS-NWDGAFQWSA-N 295.741 3.647 30 20 CHED CCC[C@@H](CC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1129977414 SEZBPWYSNNKWLH-RHSMWYFYSA-N 284.403 3.878 30 20 CHED C=C(Cl)CN1CCCCc2ccc(OC)cc21 1171400571 ZVLOMSNKJHXUTE-UHFFFAOYSA-N 251.757 3.590 30 20 CHED CCC1CCC(CNC(=O)c2ccsc2C#N)CC1 1264752939 WUBROXQBUWWBHH-UHFFFAOYSA-N 276.405 3.566 30 20 CHED Cc1cc(C#N)nc(N[C@H]2C[C@@H](C(C)C)c3ccccc32)n1 1307184031 BPOPUCSNLUQNKH-IRXDYDNUSA-N 292.386 3.953 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1320417940 AMZMHFXVVOQLBO-MNOVXSKESA-N 299.773 3.638 30 20 CHED COc1cccc2c1CC[C@H]2Nc1ccc(OCC#N)cc1 1320675347 LLQPZIVSDVRADH-QGZVFWFLSA-N 294.354 3.697 30 20 CHED CN(C)[C@@H]1CCCC(=NNc2ccccc2Cl)C1 1320983007 WJZHLSWPMHJZCD-GFCCVEGCSA-N 265.788 3.612 30 20 CHED C[C@H]1CC[C@@H](Cc2nnc(-c3cccc(C#N)c3)o2)C1 1322411115 BBSBOTDFPVYUTA-NWDGAFQWSA-N 267.332 3.587 30 20 CHED C[C@@H]1CCCC[C@H]1c1nnc(COc2ccccc2C#N)o1 1327012905 NYKWPTHTMOJPLB-TZMCWYRMSA-N 297.358 3.814 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CCCC1CC1 1332578443 IALIRXMVOLLZNE-UHFFFAOYSA-N 262.740 3.730 30 20 CHED N#CCc1cccc(NCCCCc2ccccc2)n1 1338233453 LSPBLLHCLZJSAK-UHFFFAOYSA-N 265.360 3.582 30 20 CHED C=C(C)CCC(=O)Nc1c(C)nc2ccc(Cl)cn12 1338960125 JXQOWSNRIXDEKT-UHFFFAOYSA-N 277.755 3.591 30 20 CHED C=CCCCCCN(C)C(=O)C[C@@H]1CNc2ccccc21 1340081277 YZAQOUCNLNZJSS-OAHLLOKOSA-N 286.419 3.791 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2ccc(F)cc2s1 1340890803 CPXKZDDINJRNBA-GFCCVEGCSA-N 290.363 3.805 30 20 CHED COc1ccc2cc(C(=O)N[C@H](C#N)C(C)(C)C)ccc2c1 1343773291 DWCRSLUUUYFXKT-MRXNPFEDSA-N 296.370 3.516 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1csc(C#N)c1 1344096484 SLWVGGRLIYFSSE-GXTWGEPZSA-N 296.395 3.638 30 20 CHED CCCCC[C@H](C)NC(=O)c1cccc(C#N)c1C 1344640354 XABZEOXXAONCRU-LBPRGKRZSA-N 258.365 3.565 30 20 CHED C=C(CC(C)C)C(=O)N1CCC(OC2CCCC2)CC1 1346387081 DDJLQWRNIHYUNW-UHFFFAOYSA-N 279.424 3.539 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)c1ccoc1)c1cccs1 1346403783 UHIKLCBBWUGKEA-GWCFXTLKSA-N 275.329 3.789 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 1346750575 UPCRPXRUTMUADY-UHFFFAOYSA-N 298.390 3.890 30 20 CHED Cc1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1Cl 1349961898 SDPPYDWGKHKKCN-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1354216808 HZCAOZPDJIAJAP-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H](C)c1ccccc1 1355755053 SKSWGANONFVEHM-AWEZNQCLSA-N 278.355 3.700 30 20 CHED COc1ccc2oc(C)c(C(=O)O[C@@H]3CC[C@@H](C#N)C3)c2c1 1357610911 PMRIBQSUORUXDG-DGCLKSJQSA-N 299.326 3.599 30 20 CHED CC[C@H](F)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1436546590 MVGITQHOSZUXRA-YWVKMMECSA-N 294.395 3.992 30 20 CHED COc1cc(C#N)ccc1NC(=O)C1(C2CCCCC2)CC1 1458664660 GBWTZNGRKCEXFC-UHFFFAOYSA-N 298.386 3.866 30 20 CHED Cc1cccnc1SCCc1ccc(C#N)cc1 1459108740 ZQELDNOPVSOJTJ-UHFFFAOYSA-N 254.358 3.597 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H](C)c2ccc(F)cc2)n1 1460435468 KCPYTJDTKDMPPK-LLVKDONJSA-N 297.333 3.533 30 20 CHED N#CCC1(CN2CCc3cccc(C(F)(F)F)c3C2)CC1 1473696136 LNMQAUCGBYNCEP-UHFFFAOYSA-N 294.320 3.757 30 20 CHED C=C(CC)COC(=O)c1oc(C2CC2)nc1C(F)F 1519016568 YLTNEUXLCORQSQ-UHFFFAOYSA-N 271.263 3.613 30 20 CHED CC/C=C(/C)C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1520067899 AFFLFFLITGVXBZ-HYHWUIIZSA-N 287.750 3.749 30 20 CHED Cc1cc(F)ccc1COC(=O)[C@H](CC#N)c1ccccc1 1534636104 YKLYMZVJXFMSEU-QGZVFWFLSA-N 297.329 3.875 30 20 CHED C=CCCCCSc1ccc(C)cc1-c1nn[nH]n1 1588601786 UTIMFXAISCMZON-UHFFFAOYSA-N 274.393 3.624 30 20 CHED C=C[C@@H](S[C@H](C)c1ccc(Cl)cc1)C(=O)O 1588715354 WNPSAFDDIXKKQK-LDYMZIIASA-N 256.754 3.773 30 20 CHED CCCCCCCN[C@@](CC)(C(=O)O)c1ccccc1 1595704351 HIFLHXSTZATLOZ-QGZVFWFLSA-N 277.408 3.937 30 20 CHED CCC[C@H](C)NCc1cc(C#N)ccc1Br 1620727200 YYJPBNBCYLPVTN-JTQLQIEISA-N 281.197 3.599 30 20 CHED CC(C)C[C@@H](C)CN1CCN([C@H](C#N)c2ccccc2)CC1 1644837551 LOFMJXVZPQXEGH-IEBWSBKVSA-N 299.462 3.551 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)c1ncc(C#N)cc1F 1651572395 JCRCCFZARSMYLR-MRXNPFEDSA-N 297.377 3.858 30 20 CHED Cc1ccnc(N[C@@H]2CCC[C@H](C3CC3)C2)c1C#N 1651964948 ZBLKDSXHVZZPCB-UONOGXRCSA-N 255.365 3.642 30 20 CHED CC[C@H]1CN(Cc2ccc(F)c(C#N)c2)c2ccccc2O1 1652596844 YGUOGEIXXPIXID-HNNXBMFYSA-N 296.345 3.875 30 20 CHED CC(C)CN(CCc1ccccc1)Cc1cccc(C#N)n1 1657409119 KGQRZHVLVQJTSV-UHFFFAOYSA-N 293.414 3.654 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1C)[C@H]1CC1(C)C 1675086200 RWINKXHDSAHRDF-ZIAGYGMSSA-N 285.391 3.813 30 20 CHED CC(C)(CC#N)CNC(=O)NCC(C)(C)C1CCCCC1 1679184637 HGXOAFWQWWOHBF-UHFFFAOYSA-N 293.455 3.832 30 20 CHED C=C(C)CCCN1CCC[C@@H]([C@@]23CC[C@@H](C2)[C@H]3C(=O)O)C1 1776139266 XQSKMLBUXTWSCS-UIBIWLFHSA-N 291.435 3.556 30 20 CHED C=CCCCCN1CC2(CC2)c2ccccc2[C@H]1C(=O)O 1776207816 RFNJUKBBZRBDLV-INIZCTEOSA-N 285.387 3.516 30 20 CHED N#Cc1ccc(COC(=O)c2cc3ccccc3o2)cc1 4332459 GDNRRFLVBFZHOG-UHFFFAOYSA-N 277.279 3.661 30 20 CHED C[C@@H]1/C(=C\c2ccc(O)cc2)C(=O)c2c(O)ccc(F)c21 7333191 BVHYDKDULGTQBA-YXYQAXARSA-N 284.286 3.620 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)sc2C)cc1O 8322646 ZSQILYBWUVJWQO-GQCTYLIASA-N 288.368 3.975 30 20 CHED COc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1F 22817886 HTNDZKVKTBHKPT-LBPRGKRZSA-N 284.334 3.557 30 20 CHED CCCOc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 30826846 VVKOMWOPLBEKLW-UHFFFAOYSA-N 294.354 3.794 30 20 CHED CCCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32292042 DEPRAMJYRVSEPB-UHFFFAOYSA-N 294.354 3.876 30 20 CHED N#Cc1ccc(NCc2ccccc2N2CCCC2)cc1 37212087 MGDWRUSCHAGDMW-UHFFFAOYSA-N 277.371 3.771 30 20 CHED C[C@H]1C[C@H](NCc2cccc(C#N)c2)CC(C)(C)C1 37748747 DAZUKJZEJPAFAT-BBRMVZONSA-N 256.393 3.863 30 20 CHED N#Cc1cccc(CN[C@@H]2CSCc3ccccc32)c1 37748947 JJPLTQDKXRCPNY-QGZVFWFLSA-N 280.396 3.636 30 20 CHED CCc1nc2cc(NCc3ccc(C#N)cc3)ccc2o1 37786068 INCPUFNOEUCVSS-UHFFFAOYSA-N 277.327 3.874 30 20 CHED Cc1cc([C@H](C)Nc2cc(C#N)ccn2)c(C)s1 44388263 VJXYVUCODWZDQK-JTQLQIEISA-N 257.362 3.805 30 20 CHED N#C[C@H](C(=O)/C=C/c1cccs1)c1nc2ccccc2[nH]1 46440919 BTBGDACGKSVOBB-ABZNLYFFSA-N 293.351 3.514 30 20 CHED N#Cc1cc(NC(=O)C2CCCCC2)ccc1Cl 48824396 KXAZLKONWQNVQV-UHFFFAOYSA-N 262.740 3.730 30 20 CHED Cc1cccc(CSCC(=O)Nc2ccccc2C#N)c1 48930894 LQLCYTVGKZQZRJ-UHFFFAOYSA-N 296.395 3.739 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccc(CC#N)cc1 55351756 PGWRWZUMJCCHDC-CQSZACIVSA-N 258.365 3.908 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2cc(C#N)ccc2C)cc1 58453597 YXELSIXNRQDQBI-UHFFFAOYSA-N 293.370 3.839 30 20 CHED CCC(C#N)(CC)C(=O)NCC[C@H](C)c1ccccc1 61911227 WHAWWAWAQXHADU-AWEZNQCLSA-N 272.392 3.626 30 20 CHED N#Cc1ccc(Cl)cc1NCCc1ccc(O)cc1 62785376 VEEMGBOWBOJVEB-UHFFFAOYSA-N 272.735 3.572 30 20 CHED N#CCCCN(CCc1ccccc1)C1CCCC1 69072297 ABUPOTMVQDMWAL-UHFFFAOYSA-N 256.393 3.777 30 20 CHED Cc1sc(NC(=O)CCC(C)C)c(C#N)c1C 69260217 QEBJUPSMTVNSCN-UHFFFAOYSA-N 250.367 3.611 30 20 CHED O=C(/C=C/c1ccccc1OC(F)(F)F)c1cccnc1 73116070 FRBMMRSINSXZGC-BQYQJAHWSA-N 293.244 3.876 30 20 CHED N#Cc1ccc(Nc2ccc3[nH]ccc3c2)c([N+](=O)[O-])c1 74259496 BIUHYZREEGGXJJ-UHFFFAOYSA-N 278.271 3.691 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(CCCSCC#N)C1 74991728 ISSXAGRCZQSGRG-XJKSGUPXSA-N 292.423 3.855 30 20 CHED CC(C)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 75463873 UIDXHOGXXQGHJX-UHFFFAOYSA-N 294.354 3.736 30 20 CHED Cc1ccc(CN(C)C(=O)CCc2ccc(C#N)cc2)s1 76174947 UMDQKEPAXWOUIU-UHFFFAOYSA-N 298.411 3.519 30 20 CHED CCCN(CC#N)C(=O)[C@H](C)c1ccc2ccccc2c1 84531295 XQZSGSZXJDHJGK-CQSZACIVSA-N 280.371 3.705 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]2CCC[C@H]21 86284635 UNNFOFXRVXOEDR-GDBMZVCRSA-N 283.375 3.663 30 20 CHED C#CCCCCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 90399395 JGVOTHDMDSCDPB-IAGOWNOFSA-N 259.368 3.855 30 20 CHED CCC(=O)Nc1ccc(NCc2cc(C#N)cs2)cc1 93492664 JWGULIVMFDPRSM-UHFFFAOYSA-N 285.372 3.580 30 20 CHED Cc1ccccc1C1(CNCc2cccc(C#N)c2)CC1 102434262 UUYNIULOWXDYFZ-UHFFFAOYSA-N 276.383 3.688 30 20 CHED CC(C)[C@@H](CC(=O)N(C)[C@@H](C)CC#N)c1ccccc1 103441058 XSTOROWIJNZXFD-GOEBONIOSA-N 272.392 3.577 30 20 CHED CCCc1ccc(C(=O)N[C@@H](C#N)c2ccccc2F)cc1 108802570 UAHDHFJAGYSACG-KRWDZBQOSA-N 296.345 3.773 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(Cl)c2)C1 116808352 OUXZCMYFYOPGKZ-IAQYHMDHSA-N 276.767 3.542 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(CCSC)cc1 117005615 FLONISZDWNCUGK-LBPRGKRZSA-N 278.421 3.678 30 20 CHED CCN(CCC(C)(C)C#N)[C@H](C)c1cccc(O)c1 119672261 QKDLJZRDWYRBJR-CYBMUJFWSA-N 260.381 3.715 30 20 CHED C=CCC[C@@H](N[C@@H](C)Cc1ccc(O)cc1)C1CC1 120996739 OZNMBFRKMNNWAE-SUMWQHHRSA-N 259.393 3.658 30 20 CHED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 122583772 ANCYHJUWAYDDLR-GFCCVEGCSA-N 291.354 3.616 30 20 CHED COc1cc(OC)c(N[C@H](C#N)C2CCCCC2)cc1F 133252911 USAMLOZGXGIEJH-CQSZACIVSA-N 292.354 3.727 30 20 CHED CCN(CCC#N)C(=O)Nc1cccc(C(F)(F)F)c1C 135221045 FNHRAWYMJRGQNI-UHFFFAOYSA-N 299.296 3.781 30 20 CHED N#Cc1cc(Cl)ccc1N[C@H]1CCCSC1 135494025 AZHUZOHZXVSANA-NSHDSACASA-N 252.770 3.519 30 20 CHED N#Cc1cc(F)c(C(=O)Oc2ccc(Cl)cc2)c(F)c1 151786522 XOBNGERMIDAQAC-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(CCOCC)CCCC2)c1 152322854 CHCBVTLMAYZFDL-UHFFFAOYSA-N 299.414 3.618 30 20 CHED Cc1cc(C)c(C)c(OC[C@H](O)c2ccc(C#N)cc2)c1 153364793 ITKDYDRGVUDVSO-KRWDZBQOSA-N 281.355 3.596 30 20 CHED CC(C)c1ccc(N(C)C(=O)c2ccc(C#N)cc2)cc1 155778857 YFIWCGZVECVVFE-UHFFFAOYSA-N 278.355 3.958 30 20 CHED CCCOc1ccc(CNc2nc(C)ccc2C#N)cc1 160670933 YAHGGORFFCKHBF-UHFFFAOYSA-N 281.359 3.663 30 20 CHED C=CCN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 161826890 CCRWYMMRCQYYQI-UHFFFAOYSA-N 292.791 3.722 30 20 CHED N#Cc1c(Br)cccc1NC[C@H]1CCCS1 165001343 OJVCFBAUNOHCOA-SECBINFHSA-N 297.221 3.628 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccccc2)c2cccnc2)c1 171440387 NNVUFNHULWONIN-FQEVSTJZSA-N 299.377 3.832 30 20 CHED CC[C@@H](CC(=O)N(CC#N)c1ccccc1)C(C)C 171742053 ADNAMDCNTDXVSL-AWEZNQCLSA-N 258.365 3.615 30 20 CHED C=CCNC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 172925104 MLYNCFVBKDCGES-UHFFFAOYSA-N 291.272 3.687 30 20 CHED CC(C)n1ccc(CSc2ccccc2C#N)n1 173718122 GPRUHJZTMAWDEF-UHFFFAOYSA-N 257.362 3.628 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 174900676 AASZQCMCMNZSIM-HUUCEWRRSA-N 286.419 3.786 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cc1 175315915 CJFBSZMESNTPHJ-FARCUNLSSA-N 290.265 3.575 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@H](SCC)C1 175900029 SDRKFENGOHXMBY-KGLIPLIRSA-N 284.469 3.658 30 20 CHED CC[C@H](C#N)OC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 176020129 TYKSKWBSAMPBHR-UTSBKAFOSA-N 297.276 3.954 30 20 CHED C=CCCCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 177462185 XKCQRKSRPNZDBY-UHFFFAOYSA-N 262.309 3.506 30 20 CHED Cc1ccc(CCC(=O)Nc2ccc(F)cc2C#N)c(C)c1 177567683 RLWZGIRPEUZUOW-UHFFFAOYSA-N 296.345 3.886 30 20 CHED C=CC1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1 178257051 ZEKLVHSQZOQVCN-UHFFFAOYSA-N 263.768 3.687 30 20 CHED C#CCCCNC(=O)Cc1csc2ccc(Cl)cc12 178762762 OHKXTGYWJZUKJC-UHFFFAOYSA-N 291.803 3.627 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@H](C)CC1)c1ccccc1 179179748 HFKZFSFNNCBVBM-HOTGVXAUSA-N 271.404 3.995 30 20 CHED C=C(C)CN(C)C(=O)/C=C(\C)c1ccccc1OC(F)F 180449029 DLNSXIFGNUSOTE-FMIVXFBMSA-N 295.329 3.726 30 20 CHED C#CCOc1ccc([C@H](C)NCCCCOC(C)C)cc1 180457079 VHDVQBOVVMPCFS-INIZCTEOSA-N 289.419 3.554 30 20 CHED CC[C@@H](C)C[C@@H](CC)NCc1ccc(OCC#N)cc1 180558950 LTSXARYPTRWCMC-GDBMZVCRSA-N 274.408 3.893 30 20 CHED Cc1noc(C)c1[C@H](C)CN[C@H](C)c1cccc(C#N)c1 182060694 ZQHFRASHFPXEDT-VXGBXAGGSA-N 283.375 3.617 30 20 CHED COC1(C/N=C/c2c(O)ccc3ccccc23)CCC1 182197957 LPHQJAYZRYWKHA-WOJGMQOQSA-N 269.344 3.533 30 20 CHED CC(C)(C)OC(=O)CS[C@@H](C#N)C1CCCCC1 185098032 TYVZWQPFCRZZOH-LBPRGKRZSA-N 269.410 3.534 30 20 CHED Cc1nc2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2o1 185861541 YWOIDQALMIXTIX-NEPJUHHUSA-N 255.321 3.631 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Cl)cc1OCC 186028193 CVPYWTUTMBTLDU-UHFFFAOYSA-N 279.767 3.727 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc(F)nc1 186405715 IQWRFOQGYGEGAE-FNORWQNLSA-N 287.338 3.511 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1nccn1C)c1ccc(F)c(F)c1 186447132 NIAPRRZRWCPSLZ-NHYWBVRUSA-N 291.345 3.666 30 20 CHED C=C(C)[C@H](NC[C@@H]1CCCCO1)c1ccc(F)c(F)c1 187785546 KSPALVKMGDEAPD-BBRMVZONSA-N 281.346 3.741 30 20 CHED C[C@@H](CCC#N)Sc1ncccc1Br 188317121 IXIBUBIVKUDYQG-QMMMGPOBSA-N 271.183 3.628 30 20 CHED N#CC1(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)CCCC1 189614828 IOTJQQLWKXTQCM-IRXDYDNUSA-N 296.414 3.598 30 20 CHED C#CCCCC(=O)N(CC(F)F)c1cccc(Cl)c1 192380976 XRPPBJRIQGAHJX-UHFFFAOYSA-N 285.721 3.742 30 20 CHED N#C[C@H]1CCC[C@@H](NCCOc2ccc3ccccc3c2)C1 192639166 QABQHGBDCASZHS-MAUKXSAKSA-N 294.398 3.891 30 20 CHED COc1cccc2c1CC/C(=C\c1ccc(O)c(F)c1)C2=O 194592681 UFGULKCFIBERFJ-FMIVXFBMSA-N 298.313 3.752 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1c(C#N)nnc2ccccc12 224826107 APVAYDFDULLLOX-DYEKYZERSA-N 280.375 3.738 30 20 CHED COc1ccc(C#N)cc1CNc1cc(F)cc(Cl)c1 227260180 CZTMLOWLOUTJLO-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCCOCCN[C@@H]1CCCc2c1[nH]c1ccccc21 231798600 DFVHPODQJSJJPI-QGZVFWFLSA-N 284.403 3.728 30 20 CHED CCOc1cccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c1 248912930 VQCNQDKODFTTJH-SQWLQELKSA-N 272.392 3.818 30 20 CHED C/C(=C/C(=O)OCCCC#N)c1cccc(C(F)(F)F)c1 255379726 BZSFDXQCSGRMQN-LUAWRHEFSA-N 297.276 3.956 30 20 CHED Cc1c(F)cccc1NC(=O)/C=C\c1ccccc1C#N 255638191 PKYGXVCLMPPBSX-KTKRTIGZSA-N 280.302 3.658 30 20 CHED Cc1cccc([C@H](C)Nc2nccc(C#N)c2[N+](=O)[O-])c1C 268457146 HAZLDIVHNFJCEC-LBPRGKRZSA-N 296.330 3.651 30 20 CHED C[C@@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)C1 269616299 OCWDFCUJKPQZDE-BFYDXBDKSA-N 299.418 3.861 30 20 CHED C#CC[C@H](N[C@H](C)c1cnn(C(C)C)c1)c1ccccc1 271537262 QKZDJDKUOSYRHO-QAPCUYQASA-N 281.403 3.879 30 20 CHED C[C@@H](NCC1(C2CC2)CC1)c1ccc(C#N)c(F)c1 271951119 OVUVXKPSZFTGMS-LLVKDONJSA-N 258.340 3.538 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccccc1CCC(F)(F)F 273866588 NNAVSLZIJRXZCE-GFCCVEGCSA-N 298.308 3.604 30 20 CHED Cc1ccc2cccc(C(=O)N[C@](C)(C#N)C(C)(C)C)c2n1 274303039 GLHWNHXOZVBHEU-GOSISDBHSA-N 295.386 3.601 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 274345202 NIKOZRGIOPUOJM-DOTOQJQBSA-N 283.415 3.516 30 20 CHED C=CCCCCNC(=O)Nc1c(C)cc(N(C)C)cc1C 274851538 XAGWEKGOTVCGJK-UHFFFAOYSA-N 289.423 3.847 30 20 CHED C=CCCN(C)[C@@H](C)c1nc(O)c2c(C)c(C)sc2n1 276454368 PXCQCKBIYSNGPA-JTQLQIEISA-N 291.420 3.583 30 20 CHED CC#CC(=O)N1CCC[C@H]1c1cccc2ccccc12 277625923 IXMYIZMKAWPISJ-KRWDZBQOSA-N 263.340 3.527 30 20 CHED CC(C)(C#N)CC(=O)Oc1cccc2ccccc12 278242262 LMONOROPEFMPMV-UHFFFAOYSA-N 253.301 3.685 30 20 CHED CC(C)n1nccc1CN(Cc1ccc(C#N)cc1)C1CC1 279685319 QGRCPHVRSGEJCF-UHFFFAOYSA-N 294.402 3.500 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccnn1C(C)C 280001843 HYDRQDKKUZNIGY-VOTSOKGWSA-N 284.359 3.677 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 280343890 QHCTWQZCZSBZJN-GOEBONIOSA-N 290.382 3.679 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccn(C(C)C)n1 280722872 JTTGHGGCTLYRAU-UHFFFAOYSA-N 298.390 3.684 30 20 CHED C#CC[C@H](N[C@H]1CCC[C@H]1CCOC)c1ccccc1 282355764 VXOMDMWMRCNZOD-BZSNNMDCSA-N 271.404 3.546 30 20 CHED N#Cc1ccc(NC(=O)NC[C@H]2CCCC(F)(F)C2)cc1 282643704 DCECTLNBEJYZBL-LBPRGKRZSA-N 293.317 3.505 30 20 CHED C#CCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 283638034 PKFCLMVPXWAKQQ-BCDXTJNWSA-N 295.426 3.973 30 20 CHED Cc1oc(C(C)C)cc1C(=O)NC1(C#N)CCCCC1 285973714 LOPUZOHYLNLBJP-UHFFFAOYSA-N 274.364 3.668 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1nccn1-c1ccccc1 287251579 ZOBLIMNRHYMUDZ-XHSDSOJGSA-N 294.402 3.605 30 20 CHED CCOc1ccccc1[C@@H](CC)NC(=O)[C@](C)(C#N)CC 288390655 LPXUUNYWUCLKNQ-PBHICJAKSA-N 288.391 3.592 30 20 CHED C=CCC[C@@H](CCC)NCc1csc(COC)n1 289993683 YOGSZNYDLYJTNO-GFCCVEGCSA-N 268.426 3.514 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1c1ccccc1 291081966 ROVCWUIQQJQZAR-MRXNPFEDSA-N 282.391 3.504 30 20 CHED COc1cccc(C=C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 292735811 GYRBOBBVBYTMSZ-QZTJIDSGSA-N 296.414 3.867 30 20 CHED C#Cc1ccc(CN[C@H](C)[C@H]2OCCc3sccc32)cc1 292743807 HROJWADSWKZWLM-FZKQIMNGSA-N 297.423 3.522 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](C#N)C1 293347753 DLVVMSIZGHISFB-FZMZJTMJSA-N 282.309 3.829 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1c1ccc(C#N)cn1 294835015 ANTYHGIDYYNVOY-HOSYDEDBSA-N 283.297 3.509 30 20 CHED CCOc1ccccc1[C@@H](CC)Nc1ncccc1C#N 301136732 AMIISSGEELVVFU-OAHLLOKOSA-N 281.359 3.915 30 20 CHED N#Cc1ccc(NCC2(CCO)CCCCC2)cc1Cl 301587138 WERNYGUVWKJAIO-UHFFFAOYSA-N 292.810 3.956 30 20 CHED CC(C)[C@@H]1OCCC[C@H]1CNc1ccc(F)cc1C#N 301600797 VDTPIOHMSCTVCG-LRDDRELGSA-N 276.355 3.560 30 20 CHED CC[C@H]1Cc2ccccc2CN1c1ccc(Cl)c(C#N)n1 302206893 KQVXEPQQILNTOX-AWEZNQCLSA-N 297.789 3.948 30 20 CHED CC(C)C(CNc1cccc(OCC#N)c1)C(C)C 311426334 DXXRHDTZZNWLTN-UHFFFAOYSA-N 260.381 3.929 30 20 CHED CC1=C(C(O)=Nc2cccc(-n3cnnc3C)c2)CCC1 328991362 IKRZFONBZXIITA-UHFFFAOYSA-N 282.347 3.664 30 20 CHED N#Cc1cccnc1-n1cc(NCC2CCCCCC2)cn1 329697564 CHWFVOXBEJESAU-UHFFFAOYSA-N 295.390 3.521 30 20 CHED Cc1cc2cc[nH]c2cc1N=C(O)[C@]1(C)CCC(O)=NC1 329843621 PMXYMZKNRGVKNY-MRXNPFEDSA-N 285.347 3.821 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2ccc3ccoc3c2)CCO1 329849074 RTXIWZGCOJKDJI-JQWIXIFHSA-N 259.305 3.836 30 20 CHED CC(C)c1ccoc1/C(O)=N/CC(C)(C)[C@H](O)C(C)C 330481462 PJOBVXWNEKMWKM-CQSZACIVSA-N 281.396 3.751 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc2c(c1)CCCC2 334252254 LCJBYPVFIRYKLR-UHFFFAOYSA-N 290.366 3.884 30 20 CHED N#Cc1cnc(N2CCC(c3ccsc3)CC2)c(F)c1 334602249 RYQIMTFTIUZXOV-UHFFFAOYSA-N 287.363 3.538 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCCc3c(O)cccc32)CC1 334679469 WALOKABHBIBBGC-CRPOECCBSA-N 284.403 3.832 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc12 335113086 TWIGYEGJVPHDNL-UONOGXRCSA-N 278.355 3.570 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1CC(C)C 338122069 SZABQBVPBYEMCQ-OAHLLOKOSA-N 270.376 3.517 30 20 CHED COCC(C)(C)CCCNc1c(F)cc(C#N)cc1F 340964802 MSHKOEPNYXBECO-UHFFFAOYSA-N 282.334 3.701 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(F)c1 341758237 OUIULHFSPFULLG-GOSISDBHSA-N 280.346 3.865 30 20 CHED CO[C@@H](c1ccccc1F)[C@H](C)Nc1nccc(C)c1C#N 343541210 SDXVIXLCUGAZFD-BLLLJJGKSA-N 299.349 3.589 30 20 CHED CCCOc1cccc(CNCC(C)(C)CCC#N)c1 343566889 LELGWLFKSVVWJT-UHFFFAOYSA-N 274.408 3.895 30 20 CHED CCC[C@@H](NCC1(C#N)CC1)c1ccc(F)cc1F 343584378 VJLTYYURBCNDEZ-CQSZACIVSA-N 264.319 3.699 30 20 CHED CC(C)COc1ccc(NCc2cccc(C#N)c2)cn1 344846782 FQNONDYISWUQGZ-UHFFFAOYSA-N 281.359 3.600 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C)C1 345077730 ZEMDNMQUQRVBCN-GDBMZVCRSA-N 257.377 3.637 30 20 CHED C=CCC(CC=C)C(=O)Nc1nccn1Cc1ccccc1 345534687 GPEGTJBHICJLOV-UHFFFAOYSA-N 295.386 3.638 30 20 CHED CCc1ccccc1NC(=O)NCC(C)(C)CCC#N 348071715 JYKZKKHHSWPRTI-UHFFFAOYSA-N 273.380 3.700 30 20 CHED C=CCCCCNCc1cc(F)cc2cccnc12 349663609 FDHCGTGZTLNEGW-UHFFFAOYSA-N 258.340 3.820 30 20 CHED C=CCn1c(C)nnc1N1C[C@H](C(C)C)c2ccccc21 350623721 STBVNQHGXVBHNE-OAHLLOKOSA-N 282.391 3.664 30 20 CHED CCc1oc2ccccc2c1CN(C)C[C@@H](C)C#N 352091893 MMEYUXAYLRWOGF-LBPRGKRZSA-N 256.349 3.587 30 20 CHED N#Cc1cc(Cl)cc(OCCCO[C@H]2CCCCO2)c1 352198906 RPDMPAPHORGIAZ-HNNXBMFYSA-N 295.766 3.524 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C(C)C)nc1 352544962 FFLIFFNCTSMQDW-UHFFFAOYSA-N 260.381 3.537 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc2cc[nH]c2c1 352579475 CCGSUIRHXUIENX-UHFFFAOYSA-N 294.354 3.632 30 20 CHED COC1(CN[C@H]2CCc3ccc(C#N)cc32)CCC(C)CC1 353597609 QAMHMMJLGOBDPH-WHDUELSGSA-N 298.430 3.730 30 20 CHED CC[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 354396532 WOFARRHNOQXIPR-WBVHZDCISA-N 284.403 3.723 30 20 CHED COc1ccsc1CNc1cc(C#N)ccc1C 354856090 DKRUNSOQQGOTIE-UHFFFAOYSA-N 258.346 3.549 30 20 CHED C[C@H]1CN(Cc2cc(C#N)cs2)c2cccc(F)c2O1 361138327 ARGRTYUVPHCTME-JTQLQIEISA-N 288.347 3.546 30 20 CHED C=CCSc1ccccc1C(=O)N(C)Cc1ccco1 362388196 FLROTMZIFFIIAL-UHFFFAOYSA-N 287.384 3.830 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CCC=C(F)C1 362643532 MVFYPSOMJVBHLD-UHFFFAOYSA-N 287.725 3.823 30 20 CHED CSCC1CCC(Nc2cc(C#N)cc(C)n2)CC1 385478359 NKENDFOIJQSKBW-UHFFFAOYSA-N 275.421 3.595 30 20 CHED CCC[C@H](C#N)N(C)C(=O)Cc1cc2ccccc2s1 410832596 DJQKQZCYLXCHFF-CYBMUJFWSA-N 286.400 3.594 30 20 CHED Cc1ccc(C[C@@H](NCC(C)(C)CC#N)C2CC2)cc1 414169755 SADLHQXENJEMRF-QGZVFWFLSA-N 270.420 3.846 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](CO)c1ccc(F)cc1 414288279 LHZPRVCYXAEHAZ-GDBMZVCRSA-N 279.399 3.626 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416109965 RKTJEYFMCZYXKR-DCGLDWPTSA-N 284.403 3.734 30 20 CHED C=CCCCCCSCc1c(C)nnn1CC 419504478 UTGYAGREGAMNOP-UHFFFAOYSA-N 253.415 3.586 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H](C)c1ccc2c(c1)CCC2 419589328 PYYABPPXBPTUJT-CHWSQXEVSA-N 289.444 3.660 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCCC[C@H]1C 424650357 UIZYLHVTQPXMML-CABCVRRESA-N 264.413 3.601 30 20 CHED C=CCN(CCC#N)CCOc1cccc2ccccc12 428858677 DXUULDQVWJCZBU-UHFFFAOYSA-N 280.371 3.620 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CC[C@H](C)C1 429739171 BSQHELCNEZKATP-SMDDNHRTSA-N 271.364 3.519 30 20 CHED C=CCC[C@@H](C)NCc1c(F)cc(F)c(F)c1F 430751476 WWKSEGZHTMKERI-MRVPVSSYSA-N 261.262 3.687 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cc2ccccc2o1 430758201 ZVWNUYLFAQTNSL-LBPRGKRZSA-N 254.333 3.777 30 20 CHED CC(C)CC(C)(C)CNC(=O)C1(c2cccc(C#N)c2)CC1 435252751 WMDWFBRNALHTNT-UHFFFAOYSA-N 298.430 3.778 30 20 CHED C=CCC[C@@H](NC(=O)COC1CCCC1)c1ccccc1 435293451 YXWVVRQVWIMYFN-QGZVFWFLSA-N 287.403 3.769 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccc2ccccc12 435746360 WNRLTARJOWPDJB-PKOBYXMFSA-N 281.399 3.911 30 20 CHED Cc1oc(C#N)cc1C(=O)NCc1csc2ccccc12 436133158 VJUIDQOUDQMZJM-UHFFFAOYSA-N 296.351 3.604 30 20 CHED CC(C)(C)c1ccc(CNC(=O)c2cc(C#N)cs2)cc1 437130354 YOCLBUOCMHRULT-UHFFFAOYSA-N 298.411 3.847 30 20 CHED C[C@H](CSCc1ccccc1C#N)C(F)(F)F 439024994 PWTKWFTXPORYTD-SECBINFHSA-N 259.296 3.990 30 20 CHED N#Cc1cc(F)c(NCCc2ccc3[nH]ccc3c2)c(F)c1 440557600 IRIXUOXARRAMBE-UHFFFAOYSA-N 297.308 3.972 30 20 CHED COc1ccccc1C1(CN[C@H]2CC[C@H](C#N)C2)CCCC1 442723347 WWMCCLZMQKQIHW-HOTGVXAUSA-N 298.430 3.789 30 20 CHED Cc1ccc(CNCc2ccc(C#N)c(C)c2)c(C)c1 443976999 GNVKVQWZMNBMDF-UHFFFAOYSA-N 264.372 3.773 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCCC(C)(C)C1 446656268 ZITAXNDBFJHJBM-AWEZNQCLSA-N 266.429 3.953 30 20 CHED Cc1cc(CNc2cc(C#N)ccc2C)ccc1C#N 446810832 SBJYLKJPQHXQEG-UHFFFAOYSA-N 261.328 3.659 30 20 CHED CCO[C@@H](CNCc1ccc(C#N)c(C)c1)c1ccccc1 446847660 NUKABBMJXFPJMG-IBGZPJMESA-N 294.398 3.734 30 20 CHED Cc1cc(C(F)(F)F)ccc1C(=O)N[C@@](C)(C#N)C(C)C 448843869 KPQINAATZCUCEQ-AWEZNQCLSA-N 298.308 3.682 30 20 CHED COc1cccc2c(CN[C@H]3CCC[C@@H]3C#N)cccc12 449240800 OXZFWQHXQQWOGY-DYVFJYSZSA-N 280.371 3.630 30 20 CHED Cc1cc(CNC[C@@H]2CCCCC2(F)F)ccc1C#N 449376896 NDGAJMLNHRPSOP-HNNXBMFYSA-N 278.346 3.782 30 20 CHED C=C(C)CCNCc1nc2cc(C(F)(F)F)ccc2n1C 449473248 HFGMYSVYCRSULI-UHFFFAOYSA-N 297.324 3.648 30 20 CHED C=C(CC)CNCc1cnc(-c2ccsc2)s1 449733742 QBFPGVREUPPLFH-UHFFFAOYSA-N 264.419 3.927 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1SCC 453377661 YEEMEVUOBURKJP-CFVMTHIKSA-N 277.433 3.793 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H](CC)C(F)F)c1 454664749 GUBNHMPGNSXSAK-ZDUSSCGKSA-N 298.333 3.807 30 20 CHED C=CCC1(CNC(=O)Cc2noc3ccccc23)CCCC1 456481384 BIGKJYKGUMFNPE-UHFFFAOYSA-N 298.386 3.623 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1c1cccc(Cl)c1 464751252 KWZZENMWHOTBDT-RISCZKNCSA-N 278.783 3.761 30 20 CHED C=CCOc1cccc(CN[C@H]2C[C@](C)(OC)C2(C)C)c1 465005880 ZZVPENKBLAWYKM-WMZOPIPTSA-N 289.419 3.545 30 20 CHED C=C[C@H](C)NC(=O)c1sc2ccc(OC)cc2c1C 465110698 GWDVGFXGJREGCL-VIFPVBQESA-N 275.373 3.523 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 465281828 AIENSSVMHRSYKD-DZGCQCFKSA-N 274.408 3.956 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 466378949 AQJHPQHSQZFMJW-WDEREUQCSA-N 292.345 3.714 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)CSc1ccccc1 466527794 FJRDEZBWNHTOFE-UONOGXRCSA-N 277.433 3.886 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](Cc1ccc(F)cc1)C(C)C 467065892 RUBKYMZMHJYLHZ-CZUORRHYSA-N 292.398 3.657 30 20 CHED C[C@@H]1CCC[C@@H](NCCc2cccc(C#N)c2)[C@@H]1C 467434140 UEXINWDDMNPOPK-CKEIUWERSA-N 256.393 3.515 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1Sc1ccccc1 468250401 MMUSGEWREMUCTI-LBPRGKRZSA-N 282.368 3.936 30 20 CHED C=CCSCCNC[C@@H](C)c1cccc(Cl)c1 470358638 DYAZSGHBUJCFAW-GFCCVEGCSA-N 269.841 3.952 30 20 CHED C=CCCC(=O)Nc1ccc(-c2ccco2)cc1F 470531541 LOQTXGCQYHZWAS-UHFFFAOYSA-N 259.280 3.990 30 20 CHED CC(C)(C)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 472139003 VEZWNOPZYKNURJ-ZBFHGGJFSA-N 256.393 3.766 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1COc2cc(C)c(C)cc21 472393543 BODDLHAXBDBRLB-GDBMZVCRSA-N 287.403 3.640 30 20 CHED C=CCOc1ccc(C(=O)N2CC(C3CCCC3)C2)cc1 477882551 BTADCCSAIIQSAC-UHFFFAOYSA-N 285.387 3.514 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)s1 486786032 FGHCWQFAHLBYCX-CQSZACIVSA-N 288.416 3.805 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 487098262 GQRPHKMDFNDPPS-GWCFXTLKSA-N 296.773 3.553 30 20 CHED Cc1nc(N2C[C@H](C)C[C@@H]2c2ccccc2)ccc1C#N 488020562 BUDNNGKQOJEJQV-CXAGYDPISA-N 277.371 3.849 30 20 CHED C=C[C@H]1CCCCN1Cc1cn2cc(Cl)ccc2n1 489506537 HMFJJAYKNWOAAW-AWEZNQCLSA-N 275.783 3.528 30 20 CHED C#CCN(C(=O)c1ccc2ncsc2c1)C1CCCCC1 490594086 MTUJWEVMCBKLMI-UHFFFAOYSA-N 298.411 3.704 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1CCC(F)(F)F 491094929 IOOWRQONZQISPM-GFCCVEGCSA-N 298.308 3.715 30 20 CHED C=C(CNC(=O)N1CC2(CCC2)[C@@H]1C(C)C)c1ccccc1 491189894 XOYBZWGXDARLMZ-KRWDZBQOSA-N 298.430 3.920 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccccc1CC(F)(F)F 491220368 MVKYTDWDQXLQAI-LBPRGKRZSA-N 298.308 3.715 30 20 CHED C=CC[C@H](CC)NC(=O)NCC[C@@H](C)c1ccccc1 494585035 IXEAQSPYHRTMLJ-ZBFHGGJFSA-N 274.408 3.834 30 20 CHED COc1cccc(OCCSCc2ccc(C#N)cc2)c1 507582867 GUMBIALIFXBTPP-UHFFFAOYSA-N 299.395 3.879 30 20 CHED C=CCCCc1nc(CCCc2ccccc2)no1 530652885 WNOPHCUDAODBQC-UHFFFAOYSA-N 256.349 3.754 30 20 CHED C=CCCCc1nc(Cc2ccc(Cl)cc2)no1 531366859 RWMHVJFWQVXSHA-UHFFFAOYSA-N 262.740 3.823 30 20 CHED C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccccc1C#N 531833466 XEYIJFNSYSDHGE-LBPRGKRZSA-N 298.336 3.956 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(CC#N)cc1 534041557 BQWPYXJPWIPSEJ-RDJZCZTQSA-N 284.403 3.793 30 20 CHED C=CCn1c(SCC(=C)CC)nc2ccccc2c1=O 538015932 SWDWWVLYYACXHG-UHFFFAOYSA-N 286.400 3.641 30 20 CHED CC(C)(NCc1ccccc1C#N)c1cccs1 542574390 NTJVYIVVGKFJLV-UHFFFAOYSA-N 256.374 3.645 30 20 CHED C=CCCCCNC(=O)N(C(CC)CC)C1CC1 547459397 DXLNXRGQYZQPHJ-UHFFFAOYSA-N 252.402 3.705 30 20 CHED C=CCOCCN(CCC)[C@H](C)c1ccccc1OC 549399110 ZYNKFQKNDPRRSS-OAHLLOKOSA-N 277.408 3.671 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)C2CCC2)C1 549527982 ZCBTVSFVFDXMDZ-XOKHGSTOSA-N 254.377 3.810 30 20 CHED C=C(C)COCCN[C@@H](Cc1ccccc1Cl)C1CC1 550703978 QOKAHVFOXUJPTQ-KRWDZBQOSA-N 293.838 3.843 30 20 CHED C=CCC(C)(C)c1noc(CCNc2ccccc2C)n1 551135825 MLKWXPZZHDJQOY-UHFFFAOYSA-N 285.391 3.886 30 20 CHED C=CCN(C(=O)Nc1ccc(OC(C)C)cc1C)C1CC1 552527150 ZUQJHLKTAHUKFV-UHFFFAOYSA-N 288.391 3.965 30 20 CHED CCN(Cc1ccc(Cl)cc1)[C@H]1CC[C@@H](C#N)C1 555334197 PURIZSKQZVLOFN-HIFRSBDPSA-N 262.784 3.854 30 20 CHED C=CCC[C@H](CCC)NC[C@]1(CO)C[C@@H]1c1ccccc1 562102920 IELTXMOTRZPKIA-OTWHNJEPSA-N 287.447 3.877 30 20 CHED Cc1cscc1CNC(=O)c1ccc(Cl)c(C#N)c1 565927364 OPXBIVFIHHTFIV-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C/C=C/c1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 569283752 NZQHDLJVUBSULK-NSCUHMNNSA-N 280.287 3.638 30 20 CHED C=CCCCCCNC(=O)NCC1(C)CCC(OC)CC1 573577349 PYJDITQRHWFYJY-UHFFFAOYSA-N 296.455 3.627 30 20 CHED CCOC(=O)C[C@@H](C)S[C@H](C#N)Cc1ccc(C)cc1 573800818 BDLUVWXFGAQXFI-HIFRSBDPSA-N 291.416 3.505 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1ncc(C#N)cc1F 579092128 IQXXCYJDOQJIHG-OAHLLOKOSA-N 267.307 3.500 30 20 CHED COc1ccc(-c2ccccc2C)cc1CNC[C@H](C)C#N 581711976 ITFKTFKFPGVODH-CQSZACIVSA-N 294.398 3.920 30 20 CHED N#Cc1cccc(C(=O)Nc2ccccc2-c2ccccc2)n1 589611935 OLUVCRKKGYYMAJ-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)s1 590979900 CSWPHAUJJNPANK-NRUUGDAUSA-N 274.389 3.557 30 20 CHED CCC[C@H](N[C@@H](C#N)Cc1ccccc1)C(C)(C)C 591242787 KECTZTFVMBRLMU-CVEARBPZSA-N 258.409 3.926 30 20 CHED Cc1cc(NC(=O)[C@H](C)C2CCCC2)c(C#N)cc1N(C)C 591306691 YHSNNMVTDKVTON-CYBMUJFWSA-N 299.418 3.698 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 593393272 TZHKSOPECJGGHG-WCQYABFASA-N 299.399 3.510 30 20 CHED Cc1cc(-c2cccc(CO[C@@H]3CCOC3)c2)ccc1C#N 593952396 KPQQGOAAJCQGRY-LJQANCHMSA-N 293.366 3.839 30 20 CHED CCC1(CC)CCCN(C(=O)NCC(C)(C)CCC#N)C1 595627800 FMYOEGJFBMVJNE-UHFFFAOYSA-N 293.455 3.928 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]([C@@H]2CCCCO2)C1 595784879 CEELIBHWNWTDEU-SJORKVTESA-N 292.467 3.988 30 20 CHED CC1(C#N)CCN(C(=O)[C@@]2(c3ccccc3)CC2(C)C)CC1 597485440 DVFQWEMNLBPYPW-IBGZPJMESA-N 296.414 3.507 30 20 CHED CC1(C)CN(C(=O)CC2(C#N)CCCCC2)[C@H]2CCC[C@H]21 597699730 POCXZKRJYXJYDU-CABCVRRESA-N 288.435 3.888 30 20 CHED Cc1sc(NC(=O)C2(C#N)CCCC2)nc1C(C)C 597894812 OCSHLVYOFDTWFA-UHFFFAOYSA-N 277.393 3.597 30 20 CHED CC(C)[C@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597909865 QTPCEBMOIDLOFV-RDJZCZTQSA-N 284.403 3.578 30 20 CHED Cc1[nH]c2c(C(=O)N3CCC[C@@H](CC#N)C3)cccc2c1C 597914623 HKXIWSOQRCKFNV-AWEZNQCLSA-N 295.386 3.551 30 20 CHED C=CC[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 597993762 CHDNQCKUVQWPSN-HNNXBMFYSA-N 274.408 3.665 30 20 CHED CC(C)(C#N)C[C@@H](O)CN1CCCC2(CCCCCC2)C1 598591985 DEAUJJUTORZNCK-MRXNPFEDSA-N 292.467 3.724 30 20 CHED CN(C(=O)C1CCC2(CC1)CC2)c1ccc(C#N)cc1F 598811163 SVLBUMVWWVSGSV-UHFFFAOYSA-N 286.350 3.631 30 20 CHED CCc1ccc([C@H](C)NC(=O)C(C#N)(CC)CC)cc1 598968683 BUSMCUSNVNGLAJ-ZDUSSCGKSA-N 272.392 3.756 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 602508819 BHOSNTGFRNAUCT-KBPBESRZSA-N 299.418 3.626 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1[C@H](C)CCC1(C)C 602898217 LETUEWBZIIKQQM-LLVKDONJSA-N 271.364 3.662 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@@H]1OCCc2ccccc21 609586607 YODFKWIFFYDOSL-KRWDZBQOSA-N 298.773 3.938 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccsc1Cl 613275646 UIVCWNONQGDZTQ-SECBINFHSA-N 257.786 3.876 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 617787086 HIIXEMMECPEOFN-GFCCVEGCSA-N 286.350 3.735 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc3c(cnn3C(F)F)c2)C1 618573780 BQCBMYLAKVQODT-PWSUYJOCSA-N 290.317 3.926 30 20 CHED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCO2)CC1 619167415 HXCGWLQGVKQHLL-KRWDZBQOSA-N 291.435 3.563 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](CCC)c1ccccn1 620856875 DDTHVGCWLCILNQ-CQSZACIVSA-N 274.408 3.826 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCOC(C)(C)C1 634684845 ARVMAKOTRFCEDW-SJORKVTESA-N 273.420 3.721 30 20 CHED C=CCOCCN(CCCC)[C@H](C)c1ccc(C)o1 645081312 ZFXQFMJBFVISGN-OAHLLOKOSA-N 265.397 3.954 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC1(C)CCOCC1 657925119 BDSYFWAHEJLABN-GJZGRUSLSA-N 251.414 3.528 30 20 CHED C=CCC1(NCc2cn3c(C)cccc3n2)CCCC1 661847991 HZOYDJXMNHYKGS-UHFFFAOYSA-N 269.392 3.621 30 20 CHED C=C(CNC(=O)NCCc1ccccc1C)c1ccccc1 672684652 BFUBGLSLILGXQO-UHFFFAOYSA-N 294.398 3.550 30 20 CHED C=C(CN[C@@H]1CCc2ccc(OC)cc21)c1ccccc1 675783650 OMOAIDOMVUZTOH-LJQANCHMSA-N 279.383 3.986 30 20 CHED C=CCCN(C)Cc1cn(C)nc1-c1cc2ccccc2o1 682436732 WJTHNWSWUBECNW-UHFFFAOYSA-N 295.386 3.841 30 20 CHED C=CCCOCC(=O)Nc1ccc(-c2ccco2)cc1F 683798193 JHIUECZBICNGNR-UHFFFAOYSA-N 289.306 3.617 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](CCC)c1ccccn1 683831470 ZOMVFIWSWMBDPM-GDBMZVCRSA-N 287.407 3.673 30 20 CHED C#CCN(C(=O)CC1CCCCC1)C1CCCCC1 688795930 ZFFOLVXGZZDYMB-UHFFFAOYSA-N 261.409 3.751 30 20 CHED C#CCCOC(=O)[C@H](C)c1c(Cl)cccc1Cl 727042379 WNZBXFQPIORTOV-SECBINFHSA-N 271.143 3.663 30 20 CHED Br/C(C=NNC1CCCC1)=C/c1ccccc1 727652438 IUDAWNRSILLQAX-GLWOHCGISA-N 293.208 3.940 30 20 CHED Cc1ccc(C(=O)OCc2cccc(C#N)c2)cc1Cl 728673604 HEXCSRUKIDOJJQ-UHFFFAOYSA-N 285.730 3.877 30 20 CHED C#Cc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2C)nc1 728801326 XWUOFPLBPWRZFZ-UHFFFAOYSA-N 293.366 3.888 30 20 CHED CCOc1cccc(/C=N\[C@H](C)c2c(C)noc2C)c1O 733749978 HNQPQFPCPRQTPV-LGQZLYSRSA-N 288.347 3.576 30 20 CHED C#CCNC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 735376454 WBSOMNZDIMHQKP-HNNXBMFYSA-N 290.794 3.600 30 20 CHED Cc1cc([C@@H](C#N)C(=O)C2CCCCCCC2)nc(C)n1 744025640 FJPXJINXSLEKIJ-OAHLLOKOSA-N 285.391 3.630 30 20 CHED Cc1cc(F)cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1 744101840 LQOOJSWVKNGXKF-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CCCNN=C[C@H](C)c1cccc(Br)c1 747632407 CIRSXMYIBMYYSF-JTQLQIEISA-N 269.186 3.538 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1ccc[nH]1 747636394 JJUWTAXSYAXXRR-UHFFFAOYSA-N 251.692 3.643 30 20 CHED C=CCCCC(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C 748667292 KUHMLWHLDVHRJZ-SNVBAGLBSA-N 276.307 3.777 30 20 CHED COCCON=C(C)c1ccc(-c2cccs2)cc1 748791079 FIGNMIIMKYFECN-UHFFFAOYSA-N 275.373 3.802 30 20 CHED C/C(=C\C(=O)NC1(c2cccc(C#N)c2)CC1)C(C)(C)C 749016056 RJTBABILNUWPAC-JLHYYAGUSA-N 282.387 3.656 30 20 CHED C[C@@H](OC(=O)[C@H](C)C1CCCC1)c1ccc(C#N)cc1 750200225 BIAXHESQDGQAPX-CHWSQXEVSA-N 271.360 3.989 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1ncccc1Cl 751130178 FGMGLZIVVLEASC-SNVBAGLBSA-N 271.751 3.743 30 20 CHED CC1(C)CCC[C@H](C=NNCc2ccc(C#N)cc2)C1 752735592 PXZLNVKZVHFJHJ-INIZCTEOSA-N 269.392 3.850 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 753111416 FTBPMODOCODBBH-ONGXEEELSA-N 299.201 3.765 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccn1 756377168 ZKBHAWUENBCMKY-BZUAXINKSA-N 298.386 3.603 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1c(F)cccc1F)OCC 756478487 VKEGXQFAHQFLIK-FZMZJTMJSA-N 298.329 3.940 30 20 CHED C#CC[C@@H](/N=C/c1cc(OC)ccc1O)c1ccccc1 756846544 KKXQKFVJHIJZPU-HNMKQIAWSA-N 279.339 3.584 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(-c2ccco2)nc2ccccc12 757014278 XJPLQWIFBVDGAP-GFCCVEGCSA-N 292.338 3.799 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1ccccc1O 757474960 OWZZUVVBGOVDNL-KTKRTIGZSA-N 290.265 3.890 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNc1nc(O)c2ccccc2n1 757583578 DZZPCCURNBEDLD-LLVKDONJSA-N 298.390 3.950 30 20 CHED CC(=NOCC(F)F)c1cccc(Cl)c1Cl 758912113 UGEMOUCHSGRUCZ-UHFFFAOYSA-N 268.090 3.999 30 20 CHED CC(=NNc1ncccc1[N+](=O)[O-])[C@H](C)c1ccccc1 759203671 SRLKJYGCWHCLGZ-NSHDSACASA-N 284.319 3.581 30 20 CHED C=CC[C@H](NC(=O)C[C@@H]1CC[C@H](C)C1)c1ccncc1 759219460 YFGCQUIJXYDKKW-LZWOXQAQSA-N 272.392 3.641 30 20 CHED CC#CCCOC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 760281940 FRXABLAVHJIELK-GFCCVEGCSA-N 292.762 3.506 30 20 CHED CC#CCCOC(=O)CCc1nc(C)c(-c2ccccc2)o1 760287847 RHFPURUXYBWLLX-UHFFFAOYSA-N 297.354 3.539 30 20 CHED CCCCCCCCCCC(=O)N1C[C@@H](O)[C@@H](CC)C1 760983210 JOLUAWQUMBJXRK-JKSUJKDBSA-N 283.456 3.747 30 20 CHED C#CCOc1ccccc1-c1noc(-c2cccc(F)c2)n1 761989772 MMNGXIIWJRDFBN-UHFFFAOYSA-N 294.285 3.555 30 20 CHED Fc1cccc(C=NOCc2ccn(C3CCCC3)n2)c1 763175417 JRXLQBSTUZBWND-UHFFFAOYSA-N 287.338 3.688 30 20 CHED N#Cc1cccc(OCCCON=Cc2cccc(F)c2)c1 763177468 YSBNJNUWYMXYOQ-UHFFFAOYSA-N 298.317 3.517 30 20 CHED Cc1ccc(F)c([C@@H](C)OC(=O)c2cc(C#N)cs2)c1 764337544 FSXUPJDXWOQMFR-SNVBAGLBSA-N 289.331 3.985 30 20 CHED CC1CC(C#N)(C(=O)OCc2ccc(C(F)F)cc2)C1 764558216 YQDXKNFNJDKJAO-UHFFFAOYSA-N 279.286 3.607 30 20 CHED C#CCN(CC)C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 766402270 BLDYEOROXBFSMF-IRXDYDNUSA-N 293.451 3.624 30 20 CHED C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCCCC#N 766618598 AHTVBJPCSDPTPW-MDZDMXLPSA-N 297.185 3.817 30 20 CHED CC#CCCCC(=O)OCC(=O)c1cc(C)c(C)cc1C 767672361 RBOZXIAPFVTFKL-UHFFFAOYSA-N 286.371 3.531 30 20 CHED CCCOc1ccc(N=Cc2cc(OC)ccc2O)cc1 768270137 WGHXPYBVCWKRSO-UHFFFAOYSA-N 285.343 3.940 30 20 CHED C#CCCN(Cc1ncc(C(C)C)s1)CC(F)(F)F 768533184 DVEUZCALBFOUSA-UHFFFAOYSA-N 290.354 3.654 30 20 CHED C#Cc1cccc(N(C)C(=O)C2CCC(C)(C)CC2)c1 768925349 MZJTZNSRDWXEPN-UHFFFAOYSA-N 269.388 3.847 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(C2CC2)cc1 771553327 NYAIBXDRDQNXHE-CQSZACIVSA-N 284.403 3.565 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc([C@H]2C[C@H]2C)o1 773090806 KAMOIWDCANZZJP-YPMHNXCESA-N 284.363 3.762 30 20 CHED C=CCC[C@@H](CCC)NC[C@@]1(O)CCc2ccccc21 773102424 MSFNKMRGEBIPPN-AEFFLSMTSA-N 273.420 3.545 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 774144634 KLLZUFIJQKHUOF-YLQAJVPDSA-N 271.360 3.845 30 20 CHED CCC(CC)(CC)C(=O)OCc1cccc(C#N)c1F 774969847 XNWRYSKMQIZDFC-UHFFFAOYSA-N 277.339 3.957 30 20 CHED CC[C@H](C)Oc1ccccc1/C=C\C(=O)OCC1(C#N)CC1 775857267 QAFZVCXNURKYJB-CKXPSTMWSA-N 299.370 3.724 30 20 CHED C[C@H](CCc1ccccc1)CNCc1ccc(C#N)cc1 776020379 VBQMMWZIDOQIDN-MRXNPFEDSA-N 278.399 3.917 30 20 CHED CCOc1ccccc1C(=O)O[C@H](C#N)C1CCCCC1 776358945 ASJHGOZMLNBIHD-MRXNPFEDSA-N 287.359 3.715 30 20 CHED CC(C)(C#N)CCOC(=O)C1(c2cccc(Cl)c2)CC1 776375979 PAELUBAVIHQLKH-UHFFFAOYSA-N 291.778 3.855 30 20 CHED CC(C)c1cccc(C(=O)O[C@H](C#N)C2CCCCC2)n1 776394756 FXGRALXUNHGDFB-MRXNPFEDSA-N 286.375 3.834 30 20 CHED C=CC[C@@H](C(=O)NC[C@H]1CC1(Cl)Cl)c1ccccc1 778423987 HNQVZWWBMWRTLR-CHWSQXEVSA-N 298.213 3.656 30 20 CHED CC(=NNCCOC(C)C)c1ccc(Cl)cc1Cl 778552342 VMPIXNOWNJBULN-UHFFFAOYSA-N 289.206 3.732 30 20 CHED COC(=O)c1cccc(NN=C[C@H]2CCC[C@H](C)C2)c1 779826175 GUZXALSSVVYSSV-STQMWFEESA-N 274.364 3.697 30 20 CHED C[C@]1(c2ccccc2)CCC(=NNCC(F)(F)F)C1 780241709 TXSBYYDQXYKRFR-ZDUSSCGKSA-N 270.298 3.636 30 20 CHED Cc1ccc(-c2cc(C(=O)OCCCCC#N)n[nH]2)cc1C 781379939 QYDGQJBSZNIDHW-UHFFFAOYSA-N 297.358 3.544 30 20 CHED Fc1ccc2c(c1)OCCCC2=NNc1ccccc1 781574742 PJFSQFZKMQDTDT-UHFFFAOYSA-N 270.307 3.815 30 20 CHED C=CCCCCCOC(=O)c1cc2ccccc2oc1=O 782049110 PUXYRXRKZIDRJP-UHFFFAOYSA-N 286.327 3.696 30 20 CHED Fc1c(Cl)cccc1NN=C1COCc2ccccc21 782214803 NCDXHSGOXAUBPU-UHFFFAOYSA-N 290.725 3.826 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1nccc2ccccc12 782288272 OUBNCTVBCYYYIR-INIZCTEOSA-N 267.376 3.737 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1c(C)oc2ccc(OC)cc12 785862288 YYGADDRCEBPGJZ-CYBMUJFWSA-N 299.370 3.931 30 20 CHED CC(C)Sc1cccc(Cl)c1C=NNC1CC1 786038717 WSFPGNPZVBBHAH-UHFFFAOYSA-N 268.813 3.926 30 20 CHED C=CCCN(C)C(=S)Nc1cccc(Cl)c1 786091595 QRLRTHCDQKQFMT-UHFFFAOYSA-N 254.786 3.545 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(N(C)CCCC)cc1 786114970 WUGAMIXKBWOMOT-UHFFFAOYSA-N 289.423 3.963 30 20 CHED C=CCCN(C)C(=O)/C=C(/C)c1ccccc1Cl 786223005 IXZXFKSAUJFFBZ-QXMHVHEDSA-N 263.768 3.778 30 20 CHED C=CCCN(C)C(=O)/C(C)=C\c1ccccc1Cl 786672560 YRHRQEYIOQHVHJ-QXMHVHEDSA-N 263.768 3.778 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3ccc(C)s3)cn2c1 789128756 BFOKWZDDQDFBEK-WAYWQWQTSA-N 282.368 3.909 30 20 CHED CC1(NC(=S)Nc2ccccc2SCCC#N)CC1 789230764 FKMLGMOBTVCUAJ-UHFFFAOYSA-N 291.445 3.531 30 20 CHED CC[C@H](C)NN=Cc1ccccc1OCc1ccccc1 790182495 DCAQBTPYIDXDQG-HNNXBMFYSA-N 282.387 3.988 30 20 CHED CC[C@@H](C)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 790183217 JUXRPIPSYHTBFK-LLVKDONJSA-N 287.319 3.577 30 20 CHED Oc1ccc(F)c(C=NNc2ccc3ccccc3n2)c1F 794459916 MJZGZXQDGLCVRT-UHFFFAOYSA-N 299.280 3.665 30 20 CHED CC(=NNC[C@H](C)C#N)[C@@H](C)c1ccc(Cl)cc1 794523341 MREBXKITCKFJHZ-GHMZBOCLSA-N 263.772 3.569 30 20 CHED C[C@H]1CCC(=NNCCC(F)(F)F)c2ccccc21 794545644 NJPLZCMAXHTGAV-JTQLQIEISA-N 270.298 3.830 30 20 CHED O=C(/C=C/C=C\c1ccc(F)c(F)c1)c1ccncc1 794689822 FFEIEBUJIGMOBH-HSFFGMMNSA-N 271.266 3.812 30 20 CHED C[C@@H](CC=NNc1ncccc1F)c1ccccc1 794980204 HEMYYBCRJCWATJ-LBPRGKRZSA-N 257.312 3.812 30 20 CHED COCCCON=C(C)c1ccc(SC(C)C)cc1 795043412 DQHKJFHXFSNFPL-UHFFFAOYSA-N 281.421 3.964 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C2CC(C)(C)C2)cc1 795788817 AWXOYIUBPGNSOU-UHFFFAOYSA-N 270.376 3.678 30 20 CHED CCCCCCCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 796328194 DLKRWWDHXYUVCW-ZIAGYGMSSA-N 295.389 3.840 30 20 CHED C#CCOc1ccc(CNc2ccc(F)c([C@H](C)O)c2)cc1 796524403 XRHRCEPNXKFWOW-ZDUSSCGKSA-N 299.345 3.503 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc(C(F)(F)F)cc1 796856297 LPMTYHWFTTYAGC-CYBMUJFWSA-N 285.265 3.688 30 20 CHED C#CCCCCC(=O)Nc1cc(C)nc(-c2ccccc2)n1 798238746 IGCMRUZLFGKCED-UHFFFAOYSA-N 293.370 3.584 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 798936407 GKTDHVLMJZYOKJ-GOEBONIOSA-N 286.419 3.819 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(C)c(C)o2)c1 799895805 DRGLYBQDMCMRHL-FPLPWBNLSA-N 256.301 3.801 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C)c1c[nH]c2ccccc12)C(C)(C)C 807884582 PUNSTNNEPMAHKE-CXAGYDPISA-N 296.414 3.826 30 20 CHED O=C(/C=C/c1cnccn1)c1ccc(Cl)cc1Cl 809152437 QZMOJGSBXQVNPW-DUXPYHPUSA-N 279.126 3.680 30 20 CHED C#C[C@@H](CC)NCc1ccc(C(F)(F)F)cc1C 809685969 DWYMBGJSKJNMJG-ZDUSSCGKSA-N 255.283 3.515 30 20 CHED C#Cc1ccccc1CC(=O)N(C)Cc1ccccc1Cl 809940146 COZOWMXFNJOMOS-UHFFFAOYSA-N 297.785 3.522 30 20 CHED C=CCCCCCCCNC(=O)c1ccc2nccnc2c1 811590672 DDSQRURRLQPHMB-UHFFFAOYSA-N 297.402 3.886 30 20 CHED CC(Cc1ccsc1)=NN[C@@H](C)COc1ccccc1 811664590 GJZQOCAJXRBOED-AWEZNQCLSA-N 288.416 3.724 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1cc(Cl)cs1 811667580 YLRNEBOFYHBUGY-NSHDSACASA-N 294.807 3.793 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C)s2)cc1O 811697399 CRSQYEHVCROEMF-VOTSOKGWSA-N 274.341 3.667 30 20 CHED COCC1(CNc2nc(Cl)c(C#N)s2)CCCCC1 811864703 IRWFVKADBUCFOO-UHFFFAOYSA-N 299.827 3.677 30 20 CHED CCc1ccc(C(=O)/C=C/c2cc(F)ccc2OC)o1 812243817 VDONLWOAUNKUBO-QPJJXVBHSA-N 274.291 3.886 30 20 CHED CC(=NOCC1CC1)c1ccccc1OC(F)(F)F 814244379 QJBTZMARTGORSR-UHFFFAOYSA-N 273.254 3.736 30 20 CHED CC(=NOCC1CC1)c1ccccc1Br 814245278 VQCFZBSPJHMPGX-UHFFFAOYSA-N 268.154 3.600 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(Br)cc1 814685760 NNPAHVMVMHMHEP-UHFFFAOYSA-N 290.107 3.599 30 20 CHED C=CCC(F)(F)C(=O)NCCc1ccc(C(C)C)cc1 814768580 ZAPNLYRYTFKWNO-UHFFFAOYSA-N 281.346 3.680 30 20 CHED Cc1cc(C)c(NN=C2CC[C@H](CC(=O)O)[C@H]2C)c(C)c1 814860333 PMCSDUQCFNOALY-ZIAGYGMSSA-N 288.391 3.901 30 20 CHED COCCC(C)=NNc1c(Cl)cccc1Cl 814871466 BGSJESAMPARZQY-UHFFFAOYSA-N 261.152 3.818 30 20 CHED FC(F)(F)CON=C1CC[C@@H](c2ccccc2)C1 814881350 WPRQRSYSEGTPEL-LLVKDONJSA-N 257.255 3.889 30 20 CHED C=CCC(F)(F)C(=O)NCCOc1ccc(C(C)C)cc1 815032374 RGBLPTVOBYHPLQ-UHFFFAOYSA-N 297.345 3.516 30 20 CHED C=CC[C@H](C(=O)OC[C@@]1(C)C[C@@H]1F)c1ccccc1 822127200 CQMHVXLBUKTPBW-OFQRWUPVSA-N 262.324 3.638 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1cccc(C2CC2)c1 822161712 WXXZVNMTCNFARL-UHFFFAOYSA-N 267.284 3.556 30 20 CHED C=CCCCC[C@H](C)NC[C@@](C)(O)c1ccsc1 823915291 MQQYYIUKUFKVBT-DZGCQCFKSA-N 267.438 3.680 30 20 CHED COc1ccc2oc([C@H](C)NC(=O)C#CC(C)C)c(C)c2c1 826680693 RWVWSZBSZMJZCW-ZDUSSCGKSA-N 299.370 3.586 30 20 CHED C=CCN(CCc1ccco1)C[C@]1(C)CC1(Cl)Cl 828742928 HZPJNFTZXBRGAG-ZDUSSCGKSA-N 288.218 3.894 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C#CC(C)C 831205416 WUEQVRALMLZUGO-ZDUSSCGKSA-N 292.448 3.754 30 20 CHED C=C(C)[C@@H](NC(=O)C(F)(F)CC)c1ccc(F)c(F)c1 832370589 YWSWDHWPDDKJHR-GFCCVEGCSA-N 289.272 3.744 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2cccnc2)CCCC1 835158884 MGIJNDBIORVUHP-ZDUSSCGKSA-N 259.349 3.822 30 20 CHED Cc1sccc1C(=O)OCC(C)(C)CCC#N 835386016 GXIVSWHMCZKWQS-UHFFFAOYSA-N 251.351 3.543 30 20 CHED C=CC(C)(C)CNC(=O)N1CCCCCCCC1 836592561 LLAOMGVSCHFRTH-UHFFFAOYSA-N 252.402 3.564 30 20 CHED CC(C)(C)C#CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 837323912 RIXXQWHQORUWBO-OAHLLOKOSA-N 273.351 3.539 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C#CC(C)(C)C)C1 837439534 HRWFQYVJKDGTLA-CJNGLKHVSA-N 287.378 3.785 30 20 CHED Oc1nc2ccccc2cc1/C=N/C[C@@H]1CCCC1(F)F 840710503 SNPBIRFSASDVPI-PFHXIJNMSA-N 290.313 3.795 30 20 CHED C#CCC1(C(=O)O[C@@H](C)c2cc(C)on2)CCCCC1 841213570 YPDJUCGSRSMBBL-ZDUSSCGKSA-N 275.348 3.561 30 20 CHED CCCCCCCCC/C=C/C(=O)NC1CCNCC1 843280745 JPZXCYBCOMJPRK-ZHACJKMWSA-N 280.456 3.552 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)co1 844553773 XFVFSZXEQUPEGE-SREVYHEPSA-N 299.374 3.782 30 20 CHED CC(C)(C)c1ccc(C=NOCc2cc3n(n2)CCC3)cc1 844762189 LTNJVKUKXPGFSX-UHFFFAOYSA-N 297.402 3.678 30 20 CHED CC[C@@H](CC#N)OC(=O)c1coc2ccc(Cl)cc12 845529047 RCVHYDJGTNOFKG-JTQLQIEISA-N 277.707 3.935 30 20 CHED C=C(C)CONC(=O)N(C)CCc1cccc2ccccc12 845595723 WJOKQLMDHJPEAY-UHFFFAOYSA-N 298.386 3.531 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1cccc2sccc12 847118782 DRTGEXHGDPOVHS-NSHDSACASA-N 276.357 3.788 30 20 CHED O=C1/C(=C\c2ccnn2CC2CC2)CCc2sccc21 849245320 GZBKZLMHIOEJOP-XFXZXTDPSA-N 284.384 3.567 30 20 CHED CC(C)(C)O[C@H]1C[C@@H](OC(=O)CC2(C#N)CCCCC2)C1 851069232 GDGWQMJZEYOPMX-OKILXGFUSA-N 293.407 3.740 30 20 CHED C=CCC(CC=C)C(=O)O[C@H]1CCN(c2ccccc2)C1 851185197 RDAFWFNKQKYKLQ-KRWDZBQOSA-N 285.387 3.577 30 20 CHED C=CC(C)(C)CCOC(=O)c1ncoc1C(C)C 851299202 CIQMWJFTIVCAQC-UHFFFAOYSA-N 251.326 3.557 30 20 CHED C=CCC1(NC[C@H](O)c2ccc(Cl)c(F)c2)CCCC1 852587878 JSOZNVYKSSRDHS-HNNXBMFYSA-N 297.801 3.991 30 20 CHED CC(C)N(C[C@H](O)c1ccc(C#N)cc1)c1cccc(F)c1 852653835 BHHGMPAUAAEMEB-SFHVURJKSA-N 298.361 3.646 30 20 CHED N#Cc1ccc(CCNC(=O)C2CCCCCCC2)cc1 855226128 WAIJXGYFHWIHJF-UHFFFAOYSA-N 284.403 3.577 30 20 CHED N#CC1(NC(=O)/C=C/CCc2ccccc2)CCCCC1 865077124 CMLFXMPVLMOXQJ-WUXMJOGZSA-N 282.387 3.518 30 20 CHED CC(=O)N(c1ccc(NC[C@H](C)CCC#N)cc1)[C@H]1C[C@H]1C 877555721 ZMSFKBNHPKDSHH-LBTNJELSSA-N 299.418 3.800 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](CC)c1nc(C)cs1 878740568 QQDMBGSYOFZOLQ-LLVKDONJSA-N 266.410 3.621 30 20 CHED CCCCCCCOc1ccc(N2C(=O)CCC2=O)cc1 883036957 DYHFFWIHBDOPIP-UHFFFAOYSA-N 289.375 3.689 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2cnco2)cc1 888288474 NPPDYOQGTJYDGI-UHFFFAOYSA-N 270.332 3.882 30 20 CHED C=CC(C)(C)CC(=O)N1Cc2ccccc2C[C@@H]1C 889210484 LVYDSJVWCHUSCQ-ZDUSSCGKSA-N 257.377 3.562 30 20 CHED Cc1ccc(C(=O)/C=C/c2nc(C)c(C)[nH]2)c(C)c1 901430148 IIGZLFJKKAGYRF-BQYQJAHWSA-N 254.333 3.539 30 20 CHED CCn1cncc1/C=C\C(=O)c1cccc(C2CC2)c1 901515034 YDRYTSHICKIHIV-HJWRWDBZSA-N 266.344 3.677 30 20 CHED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 915088068 ZRLKQFPEFYRJCA-QGZVFWFLSA-N 276.339 3.691 30 20 CHED CCCCNN=Cc1cc(Cl)ccc1OC(F)F 915969616 NZEFJKQSSQJICC-UHFFFAOYSA-N 276.714 3.665 30 20 CHED COc1cc(C)c([C@H](C)/N=C\c2ccccc2O)cc1OC 915980663 YGKWZHRPIRCHCZ-JFENUBAZSA-N 299.370 3.898 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1cccc([N+](=O)[O-])c1 916268879 CHYHLTBQCNJIDN-UHFFFAOYSA-N 299.330 3.721 30 20 CHED CCCCCCCNCc1cn(C)nc1-c1ccncc1 920175788 IPYZMGVGCXIRSP-UHFFFAOYSA-N 286.423 3.542 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)OCc1ccc(C#N)cc1F 920731344 VTOVCSKMEZPOQZ-TZMCWYRMSA-N 289.350 3.957 30 20 CHED O=C1CC2(CCCCC2)CC(=O)C1=CNc1ccccc1O 920974339 HOTCRVWJNJJXIF-UHFFFAOYSA-N 299.370 3.571 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCOc2ccc(F)cc21 925382623 LUZUKKCJRQGAIS-SMDDNHRTSA-N 276.355 3.567 30 20 CHED CC(C)[C@H](CC(F)(F)F)N[C@H](C)CC(C)(C)C#N 926238996 ZJRGLJBMLYDFJH-MNOVXSKESA-N 264.335 3.881 30 20 CHED C[C@@H](NCc1cccc(OCC#N)c1)C1C(C)(C)C1(C)C 1116461071 FEDOWMLPQJDERQ-CYBMUJFWSA-N 286.419 3.749 30 20 CHED CC[C@@H]1CCC[C@H]1c1nnc(-c2cccc(C#N)c2)o1 1118372135 PBWBXVLJROPKPI-TZMCWYRMSA-N 267.332 3.902 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1ccsc1C#N 1127767104 OFGIKFOLCLFTOI-JFGNBEQYSA-N 263.362 3.601 30 20 CHED C[C@H](Sc1cccnc1C#N)c1cccc(F)c1 1166183038 QTFHJFLOQDUDNI-JTQLQIEISA-N 258.321 3.946 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2oc3ccccc3c2C)n1 1184998493 DBOXASXXVATZGE-NSHDSACASA-N 292.342 3.884 30 20 CHED CC(C)C[C@@H]1C[C@H]1Nc1ncc(C#N)cc1Br 1186673065 OFAAEPTYPXBIHY-ZYHUDNBSSA-N 294.196 3.562 30 20 CHED CC(C)(C)Cc1nnc(CC2(C#N)CCCCC2)o1 1257870483 BMGAYJAEHDDBDS-UHFFFAOYSA-N 261.369 3.675 30 20 CHED CN(C)c1ncccc1/C=C1\Cc2c(Cl)cccc2C1=O 1258513731 ZTZGNLAUCUCCQY-FMIVXFBMSA-N 298.773 3.623 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc(C(C)C)n1 1262654776 RQCNGOMGCJLKCJ-AWEZNQCLSA-N 272.392 3.776 30 20 CHED Cc1ccc(N(C)Cc2cccc(C#N)c2)c(F)c1 1307844994 NQUREGCTNANKCI-UHFFFAOYSA-N 254.308 3.642 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 1310873040 RLPVOJGMSTXLCN-UMVBOHGHSA-N 285.391 3.813 30 20 CHED C#Cc1cccc(NC(=O)N(CC)Cc2ccccc2F)c1 1318064719 LMLRKHCLRDOFRK-UHFFFAOYSA-N 296.345 3.861 30 20 CHED C#CC(C)(C)NC(=O)c1csc(-c2ccc(CC)cc2)n1 1318833573 RFIPBRWGBFPFBF-UHFFFAOYSA-N 298.411 3.514 30 20 CHED C=CC1CCN(C(=O)N[C@@H](CC)c2ccc(F)cc2)CC1 1320077504 LNZALTAHHVASCH-INIZCTEOSA-N 290.382 3.884 30 20 CHED COc1ccnc(CSCc2ccc(C#N)cc2F)c1 1320279408 FYEOALUYZJVBCP-UHFFFAOYSA-N 288.347 3.534 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2cccs2)s1 1320819143 OPHZOHJDMYWEBK-VIFPVBQESA-N 277.370 3.936 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNc1nncc(N)c1Cl 1320923583 PMCWYPBCAJWCCG-NXEZZACHSA-N 295.818 3.572 30 20 CHED CCCCCCCc1nnc(CCN2CCC(C)CC2)o1 1322533830 SEKOTQMPNHQMHI-UHFFFAOYSA-N 293.455 3.857 30 20 CHED Cn1cc(C=NNCc2ccc(F)cc2)c2cc(F)ccc21 1326874141 QWIYRFRDZVZKFC-UHFFFAOYSA-N 299.324 3.580 30 20 CHED C=C(C)CCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 1335940087 HTYLAFDDOBEXHZ-ZWNOBZJWSA-N 281.758 3.808 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)CCc1ccccc1F 1339198283 VLWBRMPBFKNIBU-HIFRSBDPSA-N 290.382 3.545 30 20 CHED N#CCc1cccc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 1344492808 DNAQFOWCWIYCTM-HOTGVXAUSA-N 297.402 3.797 30 20 CHED CC(C)(CC(=O)O[C@H](CC#N)c1ccco1)C1CC1 1345547578 NEEHGFKPDNGJMJ-CYBMUJFWSA-N 261.321 3.604 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1355925773 GEQIGVCNOBSUKP-SRCQZFHVSA-N 271.360 3.845 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NC/C=C\Cl 1458674361 IHADUHPTQGUADK-DJWKRKHSSA-N 278.142 3.924 30 20 CHED CCCOc1ccc(CN(C[C@@H](C)C#N)C2CC2)cc1C 1461927505 OJQYZTLYIYGGMR-AWEZNQCLSA-N 286.419 3.908 30 20 CHED CC1(CNCc2cccc(F)c2C#N)CCCCC1 1462305679 QEPMRYCQXLQXBO-UHFFFAOYSA-N 260.356 3.757 30 20 CHED CCCOc1ccc(CN2CCC[C@@H](C#N)C2)cc1C 1462574554 WITSOEQUTWJGKJ-INIZCTEOSA-N 272.392 3.519 30 20 CHED N#Cc1nnc2ccccc2c1NC[C@@H]1CCC[C@@H]1C1CC1 1472806592 XONFFMLWESFSRJ-UONOGXRCSA-N 292.386 3.740 30 20 CHED Cc1c(Cl)cnc(Sc2cccc(CO)c2)c1C#N 1472876364 PFGRNCPCXUPCLS-UHFFFAOYSA-N 290.775 3.559 30 20 CHED N#Cc1cc(Cl)ccc1SCc1ccc(CO)cc1 1472997824 PPCPFGLMZSNRDX-UHFFFAOYSA-N 289.787 3.996 30 20 CHED CCc1ccc2c(c1)CCN2CCOc1ccccc1C#N 1473872435 AZAXZKFSFBDYFV-UHFFFAOYSA-N 292.382 3.562 30 20 CHED CCOc1ccc(Cl)cc1CN1CCC[C@@](C)(C#N)C1 1474388449 JQAIBHZOTDFFHR-INIZCTEOSA-N 292.810 3.864 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(-c3ccon3)cc2)c1 1538291248 MRSAAHGJFBMRHO-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC(C)C[C@H]1CCCCCN1C(=O)NCC1(C#N)CCC1 1564947480 PRECJXFXDPGRJW-OAHLLOKOSA-N 291.439 3.681 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccsc2C#N)CC1 1585597286 PUUIAUICZRNUFP-STQMWFEESA-N 290.432 3.954 30 20 CHED N#CCc1cccc(C(=O)Nc2nsc3ccccc23)c1 1586326097 LCYLZHWIOJAESN-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C[C@@H]1C[C@@H](OC(=O)c2ccc(C#N)s2)CC(C)(C)C1 1595392795 VVOXZILULXSDPV-GHMZBOCLSA-N 277.389 3.991 30 20 CHED Cc1cccc(C)c1CON=Cc1ccc(C(=O)O)cc1 1610518955 CKNVNVCFEDQJSH-UHFFFAOYSA-N 283.327 3.552 30 20 CHED N#Cc1ccc(Oc2ccc(NC(=O)CCF)cc2)cc1 1625957306 PYCWQDPSGBDUOZ-UHFFFAOYSA-N 284.290 3.649 30 20 CHED CCCC[C@@H](CCC)CNc1nc(C)cc(C#N)n1 1642407052 HKLOSCRKNXTQLN-CYBMUJFWSA-N 260.385 3.675 30 20 CHED Cc1ccc(C[C@H](C)Nc2ccc(C#N)c(C)n2)c(C)c1 1650750562 ODHMUXNIIJESAR-AWEZNQCLSA-N 279.387 3.922 30 20 CHED Cc1cc(N2CCC[C@H](CC(C)C)C2)ncc1C#N 1650862228 IBWVWGLMRGEVMI-CQSZACIVSA-N 257.381 3.524 30 20 CHED COC(=O)[C@@H]1CCCC[C@H]1CSc1cccc(C#N)c1 1651840584 VOFOSCOGFWZTHR-DZGCQCFKSA-N 289.400 3.630 30 20 CHED CC[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CC1(C)C 1651957519 OIDXVDGMJKFWPB-JGVFFNPUSA-N 269.801 3.905 30 20 CHED Cc1nc(C)c(CSc2ccc(C#N)cc2F)o1 1656305080 ZLYWUIHDMALZNO-UHFFFAOYSA-N 262.309 3.595 30 20 CHED CC(CCc1cccc(C)c1)=NNc1ccc(C(=O)O)nc1 1776069515 OILHOLTXENTSBB-UHFFFAOYSA-N 297.358 3.509 30 20 CHED COc1ccc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@H]2C)cc1 7333194 FYCKSILJZIAITB-AVMBBCFPSA-N 298.313 3.923 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1cccc(Cl)c1 7743232 ZXXWQNSBTVEVIH-BQYQJAHWSA-N 258.704 3.942 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc1 8321696 MIBDSAHWIQWJIP-IZZDOVSWSA-N 277.323 3.794 30 20 CHED N#Cc1ccc(C(=O)N[C@H](c2cccs2)C2CC2)cc1 11235088 LWJYQGXDSLPBJY-HNNXBMFYSA-N 282.368 3.501 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)cc2)c(F)c1 37412542 AZWCSUCRDWJZLE-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCn1c(CNc2ccc(C#N)cc2)nc2ccccc21 37979416 CXZJRCKLPPPYAK-UHFFFAOYSA-N 276.343 3.540 30 20 CHED N#Cc1cc(NC(=O)c2cc(Cl)ccn2)ccc1Cl 37979472 KAHKMJNENMKYFT-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 42381089 AFJHWXIORBQCMM-RDJZCZTQSA-N 282.387 3.547 30 20 CHED CC[C@@H](C#N)Sc1ccc(Br)cc1 43557638 MPUYIOATRKYXCU-VIFPVBQESA-N 256.168 3.843 30 20 CHED CSc1cccc(NC(=O)C2(C#N)CCCCC2)c1 44385113 IWBZDHZQBBTZBJ-UHFFFAOYSA-N 274.389 3.821 30 20 CHED C=CCNC(=O)N(Cc1ccco1)Cc1ccc(C)s1 49284220 TWDXHKQKBWHJIW-UHFFFAOYSA-N 290.388 3.547 30 20 CHED CCOc1ccc(CNc2cc(C#N)ccc2C)cc1 50428850 WHGAXHJRKLPBEN-UHFFFAOYSA-N 266.344 3.878 30 20 CHED N#Cc1cc(NC(=O)c2c(F)cccc2Cl)ccc1F 51637520 YSBIKESLKCCVOY-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@@H](NC/C=C/c1ccccc1)c1ccc(C#N)cc1 51790048 BJCJEZNNQVOPCQ-SBJJXXPASA-N 262.356 3.922 30 20 CHED N#Cc1cccc(CNc2nc(Cl)nc3ccccc23)c1 52811913 KGOHQHUVJXVNKD-UHFFFAOYSA-N 294.745 3.767 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCCOCC1CC1 61242246 ZMAKLRCWFKSADB-XDHOZWIPSA-N 283.371 3.781 30 20 CHED COc1ccc(Sc2c(C#N)nnc3ccccc23)cc1 77187584 YALDVCUJFDHGNE-UHFFFAOYSA-N 293.351 3.661 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)CCSC 77643496 ZAFUERQUZUVCBV-CQSZACIVSA-N 292.448 3.526 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(C#N)cn2)C1 78450591 YXTPNQZBXLEJOA-WBMJQRKESA-N 281.334 3.680 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(C)cc(F)c2)c1 80003698 SIUKJCCYJKISPZ-UHFFFAOYSA-N 281.330 3.782 30 20 CHED N#Cc1ccccc1CNc1cc(F)ccc1Cl 83442344 NCNFVQGTAIIMOP-UHFFFAOYSA-N 260.699 3.963 30 20 CHED COc1ccc(CN(C)CC2CCCCC2)cc1C#N 87833246 YYAKRVBKRVQHMQ-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C=CCNc1cccc(OCc2cccc(C#N)c2)c1 89104070 HKBVGWZNZOOHKP-UHFFFAOYSA-N 264.328 3.735 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)[C@H](C)c1ccccc1 90117857 RVPZPBCLTPMTCM-KBPBESRZSA-N 282.362 3.979 30 20 CHED C=CCN(CC=C)C(=O)NCC1(c2ccccc2)CCCC1 96997451 MNIBFDBTTNGOLL-UHFFFAOYSA-N 298.430 3.882 30 20 CHED O=C(/C=C/c1cccc2c1OCO2)c1c[nH]c2ccccc12 97402604 OCNBCVZJBMBDQD-CMDGGOBGSA-N 291.306 3.793 30 20 CHED CC[C@@H](/N=C/c1cccc(OC)c1O)c1nc(C)cs1 105356614 BAMYQKIZVPVSGI-GGNJANJASA-N 290.388 3.736 30 20 CHED CCN(Cc1ccc(C#N)cc1)c1ccc(F)c(F)c1 108258294 WPUVQNBLJDKWSF-UHFFFAOYSA-N 272.298 3.863 30 20 CHED C=CC1CCN(C(=O)Nc2cc(C)cc(C)c2)CC1 111704341 DTNUIPNGAGNLMY-UHFFFAOYSA-N 258.365 3.733 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(COCC)c2)CC1 111748041 QXADSZFKAWWCFL-UHFFFAOYSA-N 288.391 3.653 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)CC1CC1 112751908 PDHVKDJSPYQLEZ-CYBMUJFWSA-N 290.382 3.712 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OC(F)F)cc1 121062250 XWUQUTPADWBHBR-UHFFFAOYSA-N 281.302 3.995 30 20 CHED C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 123385970 XMMVUTWQSOKIOD-CQSZACIVSA-N 272.392 3.578 30 20 CHED C=CCOc1cccc(NC(=O)c2c(C)noc2C2CC2)c1 129338638 CMIKIFPCOIONJE-UHFFFAOYSA-N 298.342 3.678 30 20 CHED Oc1ccc2ccccc2c1/C=N/Cc1ncccc1F 129561210 GKUBMMLRHFRKHA-VXLYETTFSA-N 280.302 3.699 30 20 CHED C#CCCCCN[C@@H](CC)c1ccc(F)cc1F 130815118 QFIBQCVIWDTAJL-HNNXBMFYSA-N 251.320 3.809 30 20 CHED C=CCCc1csc(CN(C)C(=O)c2ccccc2)n1 134517355 MLSJLNWQAQXUCO-UHFFFAOYSA-N 286.400 3.534 30 20 CHED COc1ccc(F)cc1[C@@H](C)NCc1ccc(C#N)s1 135681115 IRLWCBIZJFNSLI-SNVBAGLBSA-N 290.363 3.618 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc2ccccc12 136163340 RJGBWUHLWFGDDD-INIZCTEOSA-N 252.317 3.718 30 20 CHED C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C#N)c(Cl)c1 154157553 AVJGFDCPZLKPAK-QWRGUYRKSA-N 276.767 3.615 30 20 CHED COc1ccc(NCC(C)(C)CCC#N)cc1F 155962285 DVKDXDXPZACIJN-UHFFFAOYSA-N 250.317 3.576 30 20 CHED COc1cc(C#N)ccc1NCc1ccc(Cl)cc1F 160890929 GZKRONHLRKOTGQ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC[C@@H](C(=O)N[C@H](C#N)c1ccccc1F)c1ccccc1 161450651 BVMBYDXWTCRQIG-RHSMWYFYSA-N 296.345 3.700 30 20 CHED Cc1c(C(=O)NC[C@H](C)C#N)oc2c1ccc1ccccc12 171838621 IGMPMZWLLGUARX-LLVKDONJSA-N 292.338 3.784 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)C(C)C 171912998 ATBGWNAJXKVAIH-GFCCVEGCSA-N 251.395 3.555 30 20 CHED Cc1nc(SCCCSCC#N)n(CC(C)C)c1C 174008809 CHQAVZYYERQKIU-UHFFFAOYSA-N 297.493 3.895 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H](C)Cc2cccs2)c1 174784060 KOGNPUKUPWSDTI-ZDUSSCGKSA-N 298.411 3.730 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C#N)cs1 176909116 IUIHAXSMLOOBRA-OLZOCXBDSA-N 276.405 3.661 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1ccco1 178994208 UCGBCUFXTCQHLK-VOTSOKGWSA-N 264.227 3.777 30 20 CHED CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)OCCCC#N 179598463 HZMVIRSRJAHLSV-CQSZACIVSA-N 295.766 3.590 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 179771187 OUCBMCMQTKZBGV-LLVKDONJSA-N 294.326 3.517 30 20 CHED CCc1oc2ccccc2c1C(=O)O[C@@H]1CC[C@@H](C#N)C1 179952343 NJKYGSYYTAHIMJ-VXGBXAGGSA-N 283.327 3.844 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(OC)ccc1OC 182766445 NFCRWIWGDYESBR-GFCCVEGCSA-N 292.379 3.570 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H](Oc2cccc(F)c2)C1 183354274 BTHIVZYEQSKSOV-MRXNPFEDSA-N 290.382 3.609 30 20 CHED N#Cc1ccc(Nc2nc([C@@H]3CCCOC3)cs2)cc1 183880202 BBCSIOGLVCKBHE-GFCCVEGCSA-N 285.372 3.652 30 20 CHED C#CCC(C)(C)C(=O)NCC1(c2ccccc2)CCCC1 184985000 NAWSAWVDZWQQDW-UHFFFAOYSA-N 283.415 3.664 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 185499301 DZYYZDIFHDQCMT-CQSZACIVSA-N 257.377 3.530 30 20 CHED CC#CCCCC(=O)Nc1ccc(OCC2CC2)cc1 185551366 FWYJDBRSHXDQGC-UHFFFAOYSA-N 271.360 3.608 30 20 CHED CC#CCCCC(=O)Nc1ccccc1SCCC#N 185727480 DBDAEWVSWUIOPD-UHFFFAOYSA-N 286.400 3.824 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(F)cc2OCC(F)F)C1 185877322 SXOGUYVFMVAALU-JQWIXIFHSA-N 298.308 3.964 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCOC(C)C)cc1 186642486 BPMHWVVRMWBARG-CQSZACIVSA-N 297.826 3.894 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cc(C#N)ccc1C 186704629 CUEDXOKYLJAJQD-IUODEOHRSA-N 271.364 3.519 30 20 CHED CC[C@H](CC#N)OC(=O)Cc1coc2cc3c(cc12)CCC3 188082424 JCAGVKRNBZZLBL-OAHLLOKOSA-N 297.354 3.699 30 20 CHED CC(C)c1ccccc1NCc1cc(C#N)n(C)c1 189574449 GJWQBMKZCJPOBJ-UHFFFAOYSA-N 253.349 3.632 30 20 CHED Cn1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1C#N 190950376 YLEBAZYAZSMIPJ-GOSISDBHSA-N 297.377 3.667 30 20 CHED C#CCCCC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 192068274 WELZGNXKNPMVLI-UHFFFAOYSA-N 295.386 3.505 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)C1(C#N)CCCCC1 193472976 SADJGUZKXBZIFW-CQSZACIVSA-N 276.424 3.936 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(F)cc1C#N 193709730 UJIFACALIDJECK-NHYWBVRUSA-N 289.354 3.740 30 20 CHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccccc1 209250271 DQFSAUVQSKATCR-VURMDHGXSA-N 258.704 3.942 30 20 CHED C[C@@H]1CC(Nc2ccc(C#N)cc2Cl)C[C@@H](C)O1 235292275 CWCVGDARIXWFSK-NXEZZACHSA-N 264.756 3.580 30 20 CHED C[C@H]1CCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 237583548 PYQIKIQXFHHTLJ-WFASDCNBSA-N 281.321 3.835 30 20 CHED Cc1ccccc1C(C)(C)CNCc1ccc(C#N)cc1 237685670 BQBTYEWTEIMHRU-UHFFFAOYSA-N 278.399 3.934 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC2CC2)cc1)C1CC1 271490072 HUDLJSLRIUSLFS-UHFFFAOYSA-N 286.375 3.658 30 20 CHED N#Cc1ccc(NCc2ccccc2N2CCCCC2)nc1 272281962 YGCVLOHXQRUPKU-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C=CCC[C@@H](C(=O)N(C)[C@H]1CCSC1)c1ccccc1 275285122 FNZFZFJZWDIVKG-JKSUJKDBSA-N 289.444 3.700 30 20 CHED CC[C@H](N[C@@H](C)CC(C)(C)OC)c1ccc(C#N)cc1 278690970 KJZMPRYNAOVSMY-BBRMVZONSA-N 274.408 3.803 30 20 CHED Cc1cccc(N(C)CCCC2(C#N)CCOCC2)c1C 281953181 JUJDXTAOGOQLLC-UHFFFAOYSA-N 286.419 3.840 30 20 CHED CCC[C@H](CC)NC1CCN(c2ccc(C#N)cc2)CC1 285535389 BXIZVTFRPYFLGE-INIZCTEOSA-N 285.435 3.695 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1c(F)cccc1Cl 286249498 UNTPMONAXRWRNF-OTYXRUKQSA-N 282.746 3.596 30 20 CHED C=C(CNC(=O)c1nc(C(C)C)oc1C)c1ccccc1 286864644 YXNSEANTGWIPIU-UHFFFAOYSA-N 284.359 3.550 30 20 CHED CC(C)(C#N)CCCCn1ccc(C(F)(F)F)cc1=O 289816813 ZUMUCGVSAOWYOB-UHFFFAOYSA-N 286.297 3.587 30 20 CHED N#CCCCC(=O)Nc1cc(Cl)cc(Cl)c1 291823086 DDMSGQQFHAVKOL-UHFFFAOYSA-N 257.120 3.626 30 20 CHED N#CCCCC(=O)NCCCc1ccc(Cl)cc1Cl 292307423 ZBGAWHVYMRRFOA-UHFFFAOYSA-N 299.201 3.736 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2oc(CCC)nc2C)c1 293252949 ZEUDENVSSPSOLC-UHFFFAOYSA-N 296.370 3.584 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H](C)c1ccccc1OC 294085485 COSPJQIDGXMVGZ-AWEZNQCLSA-N 289.419 3.907 30 20 CHED C[C@@H](C#N)CN(C)[C@H](C)c1ccc(F)c(Cl)c1 299175937 XDNCMPVLSXSCKH-VHSXEESVSA-N 254.736 3.632 30 20 CHED CC(C)CN1CCC(Nc2c(Cl)cccc2C#N)CC1 301195488 KBQHUIMBUGPNGZ-UHFFFAOYSA-N 291.826 3.744 30 20 CHED C[C@@H]1[C@@H](Nc2snc(Cl)c2C#N)CCC[C@H]1C 301536694 MWGGPBOHAWTQLO-WEDXCCLWSA-N 269.801 3.905 30 20 CHED C[C@@H](Nc1sccc1[N+](=O)[O-])c1ccc(C#N)cc1 302013160 ZUWLCVBLHACFTB-SECBINFHSA-N 273.317 3.701 30 20 CHED CCCOc1ccc(CNc2cccc(C#N)n2)c(C)c1 302649855 GJNRFLISNHZNOL-UHFFFAOYSA-N 281.359 3.663 30 20 CHED Cc1nc(N2CC[C@@H](CC(C)(C)C)C2)ccc1C#N 307771505 GSTYQGHGCZADGZ-ZDUSSCGKSA-N 257.381 3.524 30 20 CHED C=CCCC(=O)Nc1cc(C)c(Br)cc1F 309403337 HPXHZULVIIPJOF-UHFFFAOYSA-N 286.144 3.801 30 20 CHED N#Cc1cccc(COc2cc(F)ccc2Cl)c1 310722722 RUKDOAXGYUSMGK-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2CCCCC2(F)F)c1 313505485 ANGAYQYYXPVGPJ-ZDUSSCGKSA-N 278.302 3.517 30 20 CHED C=CCCCCCCNc1ccc([N+](=O)[O-])c(C(=O)O)c1 314524235 VOTLVMDLRMLGQQ-UHFFFAOYSA-N 292.335 3.841 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C(/O)c1cccc(SCC#N)c1 330388704 NJPXRXBFVNASQV-RISCZKNCSA-N 274.389 3.795 30 20 CHED Cc1cccc(/C(O)=N/[C@@](C)(C#N)CC(C)C)c1C 330484057 WKXVNDLWGAIJJF-MRXNPFEDSA-N 258.365 3.936 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)Nc2cccc(CC#N)c2)C1 334982601 PKLYTZMRJFYQKW-CQSZACIVSA-N 285.391 3.653 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC(C#N)CC1 335878569 BUSAHHLZXRCJNG-ZBFHGGJFSA-N 296.414 3.738 30 20 CHED Cc1cccc(NC(=O)c2cc(C#N)oc2C)c1Cl 336569356 AJPHGXYAVPTHIQ-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCCC(F)(F)C1 337488371 KJLJVZIMCWRRMI-LBPRGKRZSA-N 286.366 3.600 30 20 CHED N#C[C@@H](C(=O)c1ccc(C(F)F)cc1)c1ccccn1 338864162 XHFNANUNPWXMEB-GFCCVEGCSA-N 272.254 3.509 30 20 CHED N#Cc1ccn(Cc2ncc(-c3cccc(Cl)c3)o2)c1 339193335 CIBVIMQEBGVUIS-UHFFFAOYSA-N 283.718 3.716 30 20 CHED N#Cc1cccc(N2CC3(CCC3)c3c(F)cccc32)n1 339212401 CPVQSPBLCWIUJT-UHFFFAOYSA-N 279.318 3.666 30 20 CHED CCn1c(SCc2ccc(CC#N)cc2)nnc1C1CC1 342247058 MJAAFHNKVNPWHM-UHFFFAOYSA-N 298.415 3.534 30 20 CHED N#CCCN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 342845684 KDDJDKMNCILIJP-KGLIPLIRSA-N 282.309 3.845 30 20 CHED CCSc1cccc(CNC(=O)c2ccc(C#N)cc2)c1 343657831 XHDWIRMWXZKZDT-UHFFFAOYSA-N 296.395 3.600 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCO[C@H]1c1cccnc1 344243445 JFAXPJKHNVIYNH-ULQDDVLXSA-N 274.408 3.636 30 20 CHED C[C@@H](CCC1CC1)NC(=O)c1cccc(SCC#N)c1 346615128 NXPDNJSIZMDQHV-LBPRGKRZSA-N 288.416 3.611 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NCCCC#N)CCCO2 346802551 CVPDLFIELMFMHZ-MRXNPFEDSA-N 272.392 3.917 30 20 CHED Cc1ccc(C#N)c(N2C[C@@H](c3ccccc3C)C[C@H]2C)n1 346813941 IGSLJSNJWHZJJK-WBVHZDCISA-N 291.398 3.953 30 20 CHED C=CC1CCN(C(=O)c2c[nH]cc2-c2ccccc2)CC1 347836982 VKMBAKHNTBLZHY-UHFFFAOYSA-N 280.371 3.720 30 20 CHED C=C(C)CN(Cc1cccc(O)c1)Cc1cnn(C(C)C)c1 348864526 BUYQFQPGAKTKME-UHFFFAOYSA-N 299.418 3.748 30 20 CHED Cc1ccc(F)c(CN(CCC#N)CCC(C)C)c1 353422760 NQUMZKNEQJRUOD-UHFFFAOYSA-N 262.372 3.896 30 20 CHED C=CCOc1cccnc1-c1nc(-c2sccc2C)no1 354069673 KIBITSUVMKNQLS-UHFFFAOYSA-N 299.355 3.733 30 20 CHED CC1(C)C(NC(=O)C[C@@H](CC#N)c2ccccc2)C1(C)C 356321518 NDYRJWSELLLIMM-CQSZACIVSA-N 284.403 3.625 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C[C@@H]2c2ccccc2)cc1F 362299919 JEKPGYHDEZMQGU-GDBMZVCRSA-N 294.329 3.830 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1 366901637 UWTWQRCISOCBKS-TWKWOARYSA-N 296.414 3.510 30 20 CHED C=CCCCCCNC1(c2noc(C(F)F)n2)CCC1 367858550 LJWMHJQOJXXHDK-UHFFFAOYSA-N 285.338 3.722 30 20 CHED CO[C@@H](COc1c(C)cc(C#N)cc1C)c1ccccc1 379099298 GPWPFRRUHWJGGF-KRWDZBQOSA-N 281.355 3.942 30 20 CHED CC[C@@H]1[C@@H](C)CCN1c1nc(C)c(C#N)cc1Cl 384279602 DOHHZWKUKLCJJR-TVQRCGJNSA-N 263.772 3.540 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@H](CC)CC(F)(F)F 413578877 ODRAFZVOFWCYLQ-LLVKDONJSA-N 294.361 3.867 30 20 CHED CC[C@H]1CCCN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419638925 LDDFZYOPRZHFMY-RDJZCZTQSA-N 297.402 3.520 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1cc2ccccc2o1 424686717 QDEAMPBSCORVAL-UHFFFAOYSA-N 271.360 3.694 30 20 CHED C=C(C)CCNC(=O)[C@H](CC)Cc1ccccc1C 424870319 UHTHCUCHHXCLDQ-OAHLLOKOSA-N 259.393 3.646 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CCC1 425117707 WZUCHVRPXNEJKL-QWHCGFSZSA-N 270.376 3.514 30 20 CHED Cc1c(NC(=O)[C@H]2CCCC[C@@H]2C)ccc(C#N)c1C#N 425622542 NXSIBVBNNCVANC-FZMZJTMJSA-N 281.359 3.503 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnn(C(CC)CC)c1C 428050595 SWQZALAXSDKYFM-OAHLLOKOSA-N 289.423 3.733 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 432096530 SQUVRPOSDUMRHI-HUUCEWRRSA-N 290.382 3.583 30 20 CHED CC1(CC(=O)N2CCCC(C)(C)[C@H]2C#N)CCCCC1 434034616 DPHDJUVSKCIXMB-CQSZACIVSA-N 276.424 3.888 30 20 CHED C=CCC[C@@H](NC(=O)NCC1CCC1)c1ccccc1 434970429 BIULDUYHWXDVID-MRXNPFEDSA-N 272.392 3.793 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2ccc(F)cc21 436313664 XGXJVJKLVYGZNW-QGTPRVQTSA-N 289.394 3.774 30 20 CHED Cc1ccsc1CCCC(=O)N(C)c1ccc(C#N)cc1 439937479 RAZZCHCKILBIPK-UHFFFAOYSA-N 298.411 3.914 30 20 CHED C=CC[C@H]1N(C(=O)Cc2ccccc2O)CCCC1(C)C 444642658 JADVLMBMEZKOHQ-MRXNPFEDSA-N 287.403 3.528 30 20 CHED CC(C)(C#N)CCCCN1CCc2ccc([N+](=O)[O-])cc21 444679279 AEBAVZFCFFEKRQ-UHFFFAOYSA-N 287.363 3.677 30 20 CHED C=CCC1(CNCC2(CC)CCOCC2)CCCC1 449605504 NNSJALJEDAQOGI-UHFFFAOYSA-N 265.441 3.919 30 20 CHED N#CC1(CN[C@H]2CCC[C@H]2Cc2ccccc2)CCC1 450823400 UPBOSYNKWSKCLI-IRXDYDNUSA-N 268.404 3.681 30 20 CHED Cc1cc(CN2CCC=C(c3cccnc3)C2)ccc1C#N 451022143 AHABNSSXHYUPMG-UHFFFAOYSA-N 289.382 3.551 30 20 CHED C=CCC1(C(=O)N2CCOc3ccc(C)cc3C2)CCCC1 451707207 MTYGHQBFLAYHRR-UHFFFAOYSA-N 299.414 3.853 30 20 CHED C=C(C)CCNC(=O)c1c(Cl)c2ccccc2n1C 456115267 CBXUCYMNHBVGPV-UHFFFAOYSA-N 276.767 3.528 30 20 CHED C=C(CC)CNC(=O)[C@@H](CC)Oc1ccccc1Cl 456813953 RZVIEDXENJKUAM-CYBMUJFWSA-N 281.783 3.580 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1ccc(F)cc1C 456833436 FKONCHKCFVDTQN-HNNXBMFYSA-N 261.340 3.764 30 20 CHED C[C@H](C#N)C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 456858770 DUXVANNTJCUGHM-ZLDLUXBVSA-N 290.794 3.642 30 20 CHED C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(C)(C)CC#N 459728864 JLXAOGZPKXNNFX-UKTHLTGXSA-N 287.363 3.528 30 20 CHED Cc1ccc(NCCOc2cccc(C#N)c2)c(C)c1 462204129 SXYJUHUJFZFJMK-UHFFFAOYSA-N 266.344 3.666 30 20 CHED CC[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccc(C)cc1 464713221 RBJXWOVVHNJNDN-GOEBONIOSA-N 286.419 3.933 30 20 CHED C=CCCC(=O)Nc1cc(C(=O)OC)ccc1C(C)C 467049159 WJVBHZLIMNZNGE-UHFFFAOYSA-N 275.348 3.501 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C 467412910 KRIJSMXDFGKPTN-GOEBONIOSA-N 298.434 3.889 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2ccccc2)CCC1 467819985 VIVZNCPWVOKCEF-UHFFFAOYSA-N 269.388 3.950 30 20 CHED C[C@H](CN(C)Cc1cc(F)ccc1C#N)c1ccccc1 469194921 JRZSVMOPSVFNMR-CQSZACIVSA-N 282.362 3.933 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C/C(C)=C/c1ccccc1 469837442 ZDUYIYUDFJWRFT-HRSGCLKMSA-N 299.414 3.530 30 20 CHED C=CCCCCNC(=O)c1sc(C)nc1CC(C)C 471709525 QHRJLDVVLXIOHD-UHFFFAOYSA-N 280.437 3.736 30 20 CHED C[C@H](NC(=O)N(C)[C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 474136766 YTOBTIKESXMDCY-BBRMVZONSA-N 299.418 3.839 30 20 CHED C[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC(C)(C)C1 476675861 VYFGOMZAWLRKAT-CQSZACIVSA-N 298.430 3.996 30 20 CHED C[C@@H](SCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C 479709961 GYKLZVTVCBVILE-SNVBAGLBSA-N 295.379 3.661 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC(C)(C)O1 480510512 QBYSXNLUMHVICT-KRWDZBQOSA-N 289.419 3.641 30 20 CHED C[C@H]1C[C@H](C)CN(Cc2ccc(Cl)cc2C#N)C1 480534492 ZBXOSTOANNUJOI-RYUDHWBXSA-N 262.784 3.690 30 20 CHED CC[C@H]1CC[C@@H](C)N1Cc1ccc(Cl)cc1C#N 480862143 BWZDBKYHXWMSEF-ABAIWWIYSA-N 262.784 3.975 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1sc(CCC)nc1C 488623002 LXVPHMQXQVZSAJ-GFCCVEGCSA-N 293.436 3.976 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)c2ccccc2n1 488846008 ZTKACOLHVXNYTA-CQSZACIVSA-N 280.371 3.724 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1csc(CC(C)C)n1 488863370 SRIGJLVURNHNAW-LBPRGKRZSA-N 278.421 3.522 30 20 CHED C=CCCCS(=O)(=O)N(C)[C@H](C)c1cc(C)ccc1C 489211129 VWBMJACFLBOHEJ-OAHLLOKOSA-N 295.448 3.592 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(C(F)(F)F)c1 499490581 KBSLHKHRGMIUAK-CQSZACIVSA-N 298.308 3.764 30 20 CHED Cc1cc(C)cc(NC(=O)NCCc2cccc(C#N)c2)c1 500198224 MCXKDIAFQBWOPR-UHFFFAOYSA-N 293.370 3.539 30 20 CHED C=C(C)CCc1noc(Cc2cccc3cccnc23)n1 508622433 XFKBIFPMUAWXDZ-UHFFFAOYSA-N 279.343 3.717 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC(C)(C)CC1 508940457 YHNKVHUWUWMZOJ-CYBMUJFWSA-N 276.428 3.604 30 20 CHED CCN(CC#N)Cc1cccc(OCC2CCCCC2)c1 511497757 ZUPZPIAGRPCMLA-UHFFFAOYSA-N 286.419 3.991 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2cccc(OC)c2)no1 515491857 QJFJJUZRVKSPON-INIZCTEOSA-N 272.348 3.523 30 20 CHED C=CCC(C)(C)c1noc(CCC(=O)c2cccs2)n1 516858021 VSNFRTYINCVEQZ-UHFFFAOYSA-N 290.388 3.800 30 20 CHED N#Cc1cc(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)O)cs1 517966252 VULRUFRLWGVHJU-RDJZCZTQSA-N 295.363 3.575 30 20 CHED Cc1cccc(C)c1OC[C@@H](C)NCc1cccc(C#N)c1 518275464 HMKOEUNHVXNDAC-MRXNPFEDSA-N 294.398 3.732 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 520262603 NJGBSTYUIJSCLF-HWPZZCPQSA-N 288.322 3.689 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@H](C)c1c[nH]c2ccccc12 521717657 FPEBOYMVHYOUNB-AWEZNQCLSA-N 297.402 3.812 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(C(C)C)cc1 523880479 GBEGUYJVPHGHOQ-CYBMUJFWSA-N 260.381 3.574 30 20 CHED CC1CC(C#N)(C(=O)N(C)Cc2ccc3ccccc3c2)C1 531808565 URSHVTKTDSJBMB-UHFFFAOYSA-N 292.382 3.738 30 20 CHED CN(C(=O)c1cc2cc(F)ccc2o1)c1ccccc1C#N 533113967 BJQGTHJPTJQMJZ-UHFFFAOYSA-N 294.285 3.720 30 20 CHED CN(C(=O)[C@@H]1CCCC(C)(C)C1)c1ccccc1C#N 534474298 GONVTJVATZANPK-CYBMUJFWSA-N 270.376 3.737 30 20 CHED C=CCN1CC[C@H](Nc2cc(Cl)c(C)cc2Cl)C1=O 538610992 FLWUIDQGMRESHD-LBPRGKRZSA-N 299.201 3.501 30 20 CHED C=CCN(C(=O)[C@H](C)Sc1ccc(C)cc1)C1CC1 539036581 VACWTGIHAGBOPI-ZDUSSCGKSA-N 275.417 3.653 30 20 CHED C=C(CC)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 539104034 KOPJQYLOIDWYAW-SJORKVTESA-N 254.377 3.724 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(OCC)cc1 539443094 MRQKFWVWIXZBPJ-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED C=CCC[C@@H](CCC)NCCc1nc(C)oc1C 540083800 JQTVEJFDNPSKNF-CQSZACIVSA-N 250.386 3.558 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(C(C)C)CC1 540569504 UMDGUGJDWINFHT-AWEZNQCLSA-N 266.429 3.809 30 20 CHED CC(C)CCc1ccc(NC(=O)NCCCC#N)cc1 542349381 HCOAPFSLHCEPHI-UHFFFAOYSA-N 273.380 3.700 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 542528934 ZXJWRLXDQPAABW-YGRLFVJLSA-N 276.767 3.520 30 20 CHED Cc1cc(Cl)ccc1CN(CCC#N)C(C)C 546653757 UGJPHLMAYFHBCI-UHFFFAOYSA-N 250.773 3.773 30 20 CHED C=C(C)Cn1c(CC2CCCC2)nnc1N1CCCCC1 549646838 RRAYWRZYYNNQQN-UHFFFAOYSA-N 288.439 3.577 30 20 CHED C=CCC(C)(C)c1noc(C(=O)c2ccc(Cl)s2)n1 551492072 LEAWMOXDBPMBIW-UHFFFAOYSA-N 296.779 3.869 30 20 CHED N#Cc1ccc(F)c(CN2CCC=C(c3ccccc3)C2)c1 551708244 NVPYOFNVMACFOM-UHFFFAOYSA-N 292.357 3.987 30 20 CHED N#Cc1cccc(SCc2ccc(Cl)cn2)c1 554177638 QXBNWCHIMMFPGY-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)NC(=O)CC(C)(C)C#N 558424316 QERBXIOIPPQWPV-CYBMUJFWSA-N 288.391 3.591 30 20 CHED C=CCOCCN1CCC[C@H]1c1cccc(C)c1C 559105836 IDRVINMJESRIOF-KRWDZBQOSA-N 259.393 3.643 30 20 CHED CCCOc1ccc(CN2CCC(CCC#N)CC2)cc1 565539111 WHLFCMDLUPQLCT-UHFFFAOYSA-N 286.419 3.991 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1C[C@H]1C 571728400 GFKQUHUNFOEOBA-UPJWGTAASA-N 288.416 3.923 30 20 CHED CC(C)[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1F 571875710 WLGSARCILLUTMC-MLGOLLRUSA-N 291.345 3.695 30 20 CHED C=CCC[C@H](C(=O)N1CC(C(F)(F)F)C1)c1ccccc1 571987382 XQFXUAXCUATVBE-AWEZNQCLSA-N 297.320 3.757 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1ccccc1C 575938974 LCPVBJMUWRLVLS-UHFFFAOYSA-N 273.420 3.991 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)CC1CCCCC1 576611344 PMBMCVXQNIEDDE-AWEZNQCLSA-N 264.413 3.744 30 20 CHED Cc1sccc1C(=O)N[C@](C)(C#N)C1CCCCC1 577466647 DDFZWLMURGSZIS-OAHLLOKOSA-N 276.405 3.649 30 20 CHED CCN(CC#N)C/C(C)=C/c1ccccc1OC(F)F 580135974 BKFVVVJXHFIKMA-ZRDIBKRKSA-N 280.318 3.537 30 20 CHED C=CCN(Cc1ccccc1)CC1(O)CCC(C)CC1 581461191 BUFYSARVACOFRJ-UHFFFAOYSA-N 273.420 3.616 30 20 CHED C=CCOCCN[C@@H]1CCCC[C@@H]1Cc1ccccc1 581739316 XSARIJYQKAIKAI-QZTJIDSGSA-N 273.420 3.580 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1F 589799313 PRWIDAPHHGZKMM-ZDUSSCGKSA-N 294.329 3.756 30 20 CHED CCc1noc(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 590258874 JLUMBPXHRDRHMU-GOSISDBHSA-N 295.386 3.584 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2cccc(C#N)n2)n1 590285326 MOHKWTFSRLIORL-WCQYABFASA-N 282.347 3.687 30 20 CHED N#CCN(C(=O)C[C@H]1C=CCC1)c1ccc(Cl)cc1 592651616 WYTNOOZSBZMSTJ-LBPRGKRZSA-N 274.751 3.553 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1ccncc1 592984425 BPWITYVMBOJSJO-UHFFFAOYSA-N 252.317 3.602 30 20 CHED N#CC1(c2ccc(-c3cccs3)cc2)CCOCC1 592986091 RIVZTYDJJPRZPC-UHFFFAOYSA-N 269.369 3.987 30 20 CHED CCC1(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)CCCC1 593991394 BNRDWFGOWUUCBU-OAHLLOKOSA-N 298.430 3.823 30 20 CHED CC[C@H](C#N)N(C)C(=O)C/C=C\c1ccc(C(C)C)cc1 594086242 QTTAVCPHJSMJPY-JTGQJZMRSA-N 284.403 3.974 30 20 CHED N#Cc1ccc(CCN2CC[C@@H](c3cccc(F)c3)C2)cc1 595300746 UJVDSZNCDZJBKI-GOSISDBHSA-N 294.373 3.729 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)N1CCC[C@H](CC#N)C1 595435213 MGYPBYZJWKZLSK-HUUCEWRRSA-N 279.428 3.536 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(COC(C)C)cc2)n1 596086695 BQKRBWAGEUMXDZ-UHFFFAOYSA-N 296.374 3.579 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2ccc(C3CC3)cc2)C1 596820791 UBXZNOZJYARCQR-CYBMUJFWSA-N 283.375 3.722 30 20 CHED CC(C)c1nc(CN[C@@H]2CCCC[C@H]2C#N)c2ccccn12 597195486 JAGNCAZODQKQFU-LSDHHAIUSA-N 296.418 3.630 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 597997994 KOWBVJWTSOQSCG-LBPRGKRZSA-N 288.778 3.640 30 20 CHED CCN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)[C@H](C)C#N 598359725 PKFWYQARGAHBBA-GHMZBOCLSA-N 298.308 3.569 30 20 CHED C=CC1CCN(C(=O)CCOc2ccccc2Cl)CC1 599687767 ZDCVQSHDHCGSRW-UHFFFAOYSA-N 293.794 3.534 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N(C1CC1)[C@H](C)C#N 600098927 NOAXAQMLOBOIJC-GFCCVEGCSA-N 294.354 3.772 30 20 CHED Cc1ccc([C@H](C)CN(CCC#N)Cc2cccnc2)cc1 600105945 FVVWRMHONGSVAE-QGZVFWFLSA-N 293.414 3.909 30 20 CHED N#C[C@H]1CCC[C@H]1NCCc1cccc(C(F)(F)F)c1 600143338 ASLPRCAWRRHVON-TZMCWYRMSA-N 282.309 3.530 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCCC(C)(C)C1CC1 602674961 GSQRARXZUYQJLD-AWEZNQCLSA-N 278.440 3.501 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)CCC1CCCCC1 604899494 HORMFSGFUFAGPW-ZIAGYGMSSA-N 266.429 3.999 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1csc2c1CC[C@H](C)C2 608821036 KRINWYPCSQLWTP-NWDGAFQWSA-N 290.432 3.541 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc2c(s1)CC[C@H](C)C2 608821238 OZOZDYUVQAEWJR-WCQYABFASA-N 290.432 3.541 30 20 CHED Cc1ccc(CCCCC(=O)N[C@H](C#N)CC(C)C)cc1 608824795 SNOUZXHMLOSHRI-KRWDZBQOSA-N 286.419 3.762 30 20 CHED N#Cc1ccc(OCCOc2cccc(Cl)c2)cc1F 609424893 AOLGGVZIRDOJOL-UHFFFAOYSA-N 291.709 3.809 30 20 CHED CCC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccn1 609585709 AVNLGJZMVKYEAZ-INIZCTEOSA-N 296.330 3.815 30 20 CHED Cc1ccc(CN(Cc2ccc(F)c(C#N)c2)C2CC2)o1 610719337 XQONFPRWELXTEA-UHFFFAOYSA-N 284.334 3.763 30 20 CHED CC1(C)CN(C(=O)c2ccc(CC#N)cc2)c2ccccc21 611153644 ODTOGWYYYPLMAD-UHFFFAOYSA-N 290.366 3.691 30 20 CHED CC(C)(C#N)CNCc1c(Cl)cccc1N1CCCC1 612585129 PFOUWPZDFJYVNN-UHFFFAOYSA-N 291.826 3.580 30 20 CHED CC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ncc[nH]1 616378941 JCTOIPFGMJKBQR-LBPRGKRZSA-N 283.379 3.537 30 20 CHED C[C@H](NC(=O)N[C@@H](C)c1ccsc1)c1ccc(C#N)cc1 619756741 PDIZRNVZOPHMRO-RYUDHWBXSA-N 299.399 3.741 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](CC)OC1CCCC1 620858724 PQWZRRBRWVHCKV-CQSZACIVSA-N 267.413 3.585 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc2c(O)nccc12 640227337 BAULLLDYZTXDRS-LBPRGKRZSA-N 297.358 3.513 30 20 CHED C=CCC1(NCc2sccc2Cl)CCOCC1 657633279 LEYBVHNJEHBKHH-UHFFFAOYSA-N 271.813 3.616 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2c1c(C(=O)O)cnc2ccccc12 659787902 SLLFBTRHFYJVJO-BETUJISGSA-N 294.354 3.620 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](CC)CCC)C1 660499995 PKBXNNOCJCCQFT-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)cccc1C 660881759 OLHPHNCDBNKRDB-CABCVRRESA-N 272.392 3.724 30 20 CHED C=C(CNCc1cccc(-n2cccn2)c1)c1ccccc1 675472678 JWZDSCPYWWBDKZ-UHFFFAOYSA-N 289.382 3.675 30 20 CHED C=CCCOCC(=O)Nc1cccc(C(F)(F)F)c1C 675473444 SQOSEIYXJQLYKH-UHFFFAOYSA-N 287.281 3.545 30 20 CHED C=CCCOCC(=O)Nc1ccc(F)cc1OC(C)(C)C 677978384 ZMBHFVVFDBEKMD-UHFFFAOYSA-N 295.354 3.534 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cc2ccccc2o1 678881613 PFYAOWFFASFJOE-ZDUSSCGKSA-N 271.360 3.836 30 20 CHED C=CC[C@H](C(=O)N1CCC(F)(F)CC1)c1ccccc1 684517867 HAPPBMMWIKUJJB-AWEZNQCLSA-N 279.330 3.604 30 20 CHED CCOCC(C)=NNc1ccnc2cc(Cl)ccc12 726417933 NJFYFFGPCPUISO-UHFFFAOYSA-N 277.755 3.713 30 20 CHED C#Cc1cccc(NC(=S)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c1 726467213 PMTMVDJXSYAZRE-HRCADAONSA-N 298.455 3.781 30 20 CHED N#CCCCOc1cccc(C=NNc2ccccc2)c1 726738101 QHZNADMSAVEQAE-UHFFFAOYSA-N 279.343 3.815 30 20 CHED CC(=NNC1CCCC1)c1cccc(C(F)(F)F)c1 727652950 XMSWPHQITMEYLM-UHFFFAOYSA-N 270.298 3.962 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)o2)c2c(c1)C[C@H](C)O2 727744291 NGSMBGHWEJEBTF-FYJFLYSWSA-N 298.338 3.816 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2ccc(Cl)cc2)cn1 728937770 RFVWNCUELJHNKV-NSHDSACASA-N 285.730 3.634 30 20 CHED Cc1cc(C=NNc2ncccc2C(F)(F)F)ccc1F 729142404 RVNNAUQAYNQXNC-UHFFFAOYSA-N 297.255 3.994 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H]2CC[C@H](C)CC2)cc1 731041602 JKAYFMDFZRXACM-IIAWOOMASA-N 272.392 3.646 30 20 CHED N#CCOc1ccc(COc2ccc(Cl)cc2)cc1 731156544 UZNRXGOHHKEGTA-UHFFFAOYSA-N 273.719 3.821 30 20 CHED C[C@H](COC(=O)/C=C\c1ccccc1C#N)c1ccccc1 735130801 AGJMBZFVNXDWNF-QYMJWVLRSA-N 291.350 3.918 30 20 CHED CCC(=NNc1ccc(OC(F)F)cc1)C1CC1 741162775 JUWUPMLHYPAKPH-UHFFFAOYSA-N 254.280 3.876 30 20 CHED CC[C@@H](/N=C\c1cc2ccccc2nc1O)c1ccncc1 741466552 VCWQFFBDJKLGQY-SDLDRHLBSA-N 291.354 3.906 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)CCc2c(O)cccc21 742434753 MKITYZWXNGJMJF-DHZHZOJOSA-N 286.277 3.883 30 20 CHED C=CC[C@H](NC(=O)c1cccc2cc[nH]c12)c1ccncc1 742675906 DTGDRNZZXLCOER-INIZCTEOSA-N 291.354 3.610 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ccc(Cl)nc1 743451954 ORJPQXHWPSNUTE-UHFFFAOYSA-N 271.751 3.806 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(O)c(OC)c2)c1 743538800 OEGLELZAIVUBDL-CLFYSBASSA-N 298.338 3.696 30 20 CHED C[C@H]1CCC[C@@H](C(=O)OCc2cc(C#N)ccc2F)C1 745156361 BPWGYCPCRIJYDB-WCQYABFASA-N 275.323 3.567 30 20 CHED Cc1nc(Cl)cc(NN=Cc2coc3ccccc23)n1 746575230 BAJUWILUTVJAFU-UHFFFAOYSA-N 286.722 3.631 30 20 CHED C=C(Br)CN1C[C@@H](C)[C@H]1c1ccccc1 749115885 UOUSVWQZZBWLNR-MFKMUULPSA-N 266.182 3.588 30 20 CHED CCCCCCCNc1cccc(Cl)c1C(N)=O 749275951 RRAVTVIDENSABJ-UHFFFAOYSA-N 268.788 3.821 30 20 CHED C/C(=C\C(=O)N(CCC#N)Cc1ccco1)c1ccccc1 749378394 CJQGTTFBJWTKBM-FYWRMAATSA-N 294.354 3.625 30 20 CHED C[C@@H](OC(=O)[C@H](C)C1CCCC1)c1cccc(C#N)c1 750697228 NAPUNMRMCYEAPL-CHWSQXEVSA-N 271.360 3.989 30 20 CHED O=C(OCC#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 750874555 HTGXKBAIMVWMFP-UHFFFAOYSA-N 296.288 3.790 30 20 CHED Oc1nc2ccccc2cc1/C=N\CC1(C2CC2)CC1 751525031 ZHBMNOXVGLUCQZ-ZDLGFXPLSA-N 266.344 3.550 30 20 CHED Cc1noc(C)c1CON=C(c1ccccc1)C(F)(F)F 751965618 PHYANTXAOFPYDW-UHFFFAOYSA-N 298.264 3.775 30 20 CHED CC(C)CCn1cccc1C=NNc1ccc(F)cn1 755707620 VZHZZKSFTWHFAH-UHFFFAOYSA-N 274.343 3.514 30 20 CHED CC(=NNc1nncc2ccccc12)c1cc(F)cc(F)c1 755880656 SQEDYQCPJQFNBI-UHFFFAOYSA-N 298.296 3.744 30 20 CHED C=C(C)[C@@H](C)OC(=O)CCc1c[nH]c2c(C)cccc12 756015794 VQHOCWUKGWTKQU-CYBMUJFWSA-N 271.360 3.917 30 20 CHED CC(CC1CCOCC1)=NNc1ccccc1Cl 757559928 APZZAXOEWPQMRY-UHFFFAOYSA-N 266.772 3.945 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(OCC(=O)OCC)cc1 757911368 AIUFFNWNYSPRAE-KGLIPLIRSA-N 291.391 3.641 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccc(N)cc1C 758116130 DMAKEMBAVAWSJU-UHFFFAOYSA-N 287.794 3.744 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1nc(-c2ccccc2)cs1 758370445 DEVLWCVBHSCAOV-ZYHUDNBSSA-N 257.362 3.864 30 20 CHED C#CCCCCNC(=O)c1ccc(OCCCCC)cc1 758627283 QSVQIPNQESEOFL-UHFFFAOYSA-N 287.403 3.789 30 20 CHED CCCCC1CCC(C(=O)[C@H](C#N)c2ccncn2)CC1 760344554 IPPMZZAABVQWSY-YMAMQOFZSA-N 285.391 3.649 30 20 CHED CCCCNN=C(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 761262043 VRSMZCBWBZAJTJ-LBPRGKRZSA-N 277.368 3.539 30 20 CHED Cc1cc(C)nc(NN=C2CCc3ccc(Cl)cc32)n1 762441267 KEFLXORDUBPTOJ-UHFFFAOYSA-N 286.766 3.509 30 20 CHED C=CCCC(=O)OCc1nc2cc(C(F)(F)F)ccc2o1 762585833 FUWZDVMEPSXQIA-UHFFFAOYSA-N 299.248 3.856 30 20 CHED C#CCCCCCC(=O)Nc1ccc(O)cc1OC(C)C 762697692 PSMKJCKBICYJEX-UHFFFAOYSA-N 289.375 3.702 30 20 CHED COCc1ccc(C=NNCc2ccc(Cl)cc2)cc1 764718759 SGHBOWINPJDRKL-UHFFFAOYSA-N 288.778 3.610 30 20 CHED Cc1cc(OC(=O)C[C@H]2CCC[C@@H]2C)ccc1C#N 765093659 LPPPDLPLWYVCEM-WCQYABFASA-N 257.333 3.598 30 20 CHED C=CC[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccncc1 766019956 OAARFCFVZIZPJC-CJNGLKHVSA-N 296.370 3.778 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2cc(C)ccc2C)c1 766394220 XKVCTPYHOIAKRT-UHFFFAOYSA-N 278.355 3.953 30 20 CHED CCn1cc(/C=C2/C(=O)c3ccccc3[C@@H]2C(C)C)cn1 766507731 XBIMSMTULXNOFY-NDCSFFLDSA-N 280.371 3.923 30 20 CHED C#CCC(C)(C)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 767091529 NUTYBXBZBUQVAQ-NEPJUHHUSA-N 289.341 3.521 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(-c2cscn2)cc1 767103984 XLDCONNTOYYZGZ-UHFFFAOYSA-N 285.368 3.765 30 20 CHED Oc1cccc(/C=N/[C@H]2CCCc3sccc32)c1O 767338460 PLWMOARLAGRTRV-RGZVIEDOSA-N 273.357 3.656 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1cncc(C)c1 767360825 SPLNBWCOZQKCBR-AATRIKPKSA-N 267.328 3.603 30 20 CHED C=CCCC(=O)COC(=O)c1cccc2ccsc12 767625916 JHFMEKLOVVYOBV-UHFFFAOYSA-N 274.341 3.593 30 20 CHED C[C@@H]1CCc2sc(C(=O)OCC3(C#N)CCC3)cc2C1 768092479 ZUICIXDKRSWKJE-LLVKDONJSA-N 289.400 3.724 30 20 CHED CC(CCC1CC1)=NNCCCOc1ccccc1 768778267 YREOMQZKDGMBGG-UHFFFAOYSA-N 260.381 3.611 30 20 CHED N#Cc1ccc(/C=C2\Cc3ccccc3C2=O)c(F)c1 772802560 MJMQXUQPOWVMFY-NTEUORMPSA-N 263.271 3.520 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1ccc(N)cc1C 773125402 LUYXGAIBWFVGMW-MRXNPFEDSA-N 273.424 3.860 30 20 CHED CC(C)c1cccc(C/N=C/c2ccc(O)c(O)c2O)c1 773905930 LIOKFTYSGUAQQF-VCHYOVAHSA-N 285.343 3.546 30 20 CHED CCC[C@H](C)CC(=O)OCc1ccc(CC#N)cc1 776112721 KYZMZZHBMRBURK-ZDUSSCGKSA-N 259.349 3.622 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1cc(F)cc(Cl)c1 776720515 PGCOURXOLJVQTD-SNAWJCMRSA-N 292.741 3.726 30 20 CHED Cc1ccncc1CCC=NNc1ccc(F)cc1C 776725683 CYOGVICGMHTBJH-UHFFFAOYSA-N 271.339 3.868 30 20 CHED FC(F)CNN=CCCOc1ccc(Cl)c(Cl)c1 777438410 XTPFUQFHHLWZFP-UHFFFAOYSA-N 297.132 3.603 30 20 CHED C[C@H]1CCC[C@@H](CCON=C2CCCOCC2)C1 778600688 LWUDADCMMAUHCB-KBPBESRZSA-N 253.386 3.776 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 779904176 VRGLPAHOQDDTSN-JKSUJKDBSA-N 263.425 3.901 30 20 CHED C=CCCCC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 780269816 VBZXJKWANQRFBE-QWRGUYRKSA-N 263.303 3.532 30 20 CHED Fc1cc(NN=Cc2cc3ccccc3s2)ccn1 781125250 VGABLOMJKHYLGZ-UHFFFAOYSA-N 271.320 3.881 30 20 CHED FC(F)(F)CCON=Cc1cc(Cl)cs1 782283593 RNJJDRBJNYIESJ-UHFFFAOYSA-N 257.664 3.704 30 20 CHED CC(C)c1ncc(C=NNCCC(C)(C)C)s1 782906570 ARWOEDDJFJXSAT-UHFFFAOYSA-N 253.415 3.626 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCCCC(C)(C)C#N 783423760 RYCGQYSNNYOSTM-CYBMUJFWSA-N 253.386 3.932 30 20 CHED Cc1cc(C=Nn2cnc3ccccc32)cc2cccnc12 783815129 CWKTUSJLRDTLJY-UHFFFAOYSA-N 286.338 3.775 30 20 CHED C#CCN(CCCCC(=O)OC(C)(C)C)C1CCCCC1 784138302 CDZSEZXJURFUPY-UHFFFAOYSA-N 293.451 3.766 30 20 CHED N#C[C@H](C(=O)C12CCC(CC1)C2)c1ccc2ccccc2n1 784820985 GNEKYEDKOSJLRC-BTUGKURYSA-N 290.366 3.991 30 20 CHED CC[C@H](C)NN=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] 790180833 AXDUIUVGDSLNAO-STQMWFEESA-N 289.379 3.682 30 20 CHED Cn1ccnc1NN=C1CCC[C@H]1c1ccccc1Cl 790299622 GJDSWNSGFDPUQY-LBPRGKRZSA-N 288.782 3.809 30 20 CHED C=C(C)CNC(=S)Nc1cnn(C(CC)CC)c1CC 790352153 IPQBDBSYVJZBQX-UHFFFAOYSA-N 294.468 3.669 30 20 CHED CC#CCCCC(=O)OCc1ncc(C(C)(C)C)s1 790885493 PRHOWNCUXIEPOW-UHFFFAOYSA-N 279.405 3.677 30 20 CHED N#CC[C@@H](CC(=O)Nc1ccc(Cl)nc1)c1ccccc1 792939436 LYEVXSJBVIDAGB-ZDUSSCGKSA-N 299.761 3.761 30 20 CHED Fc1cncnc1NN=C1CC(c2cccc(Cl)c2)C1 793225968 NEQSMLOOIXAYBK-UHFFFAOYSA-N 290.729 3.615 30 20 CHED C=CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 793416144 CAHQTKRIDPQPPM-UHFFFAOYSA-N 270.376 3.524 30 20 CHED C=C(Cl)CS[C@@H](Cc1ccc(C)cc1)C(=O)OC 794457895 WICMAVTVQLPUHZ-ZDUSSCGKSA-N 284.808 3.565 30 20 CHED Fc1ccc(-n2nccc2C=NNc2ccccc2F)cc1 794490342 PIFYNROMCJHYCR-UHFFFAOYSA-N 298.296 3.597 30 20 CHED COc1ccc([C@H](C)C(C)=NOCC(C)C)cc1OC 794522755 BZCPSSYJIQUDEC-GFCCVEGCSA-N 279.380 3.856 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)o1)c1ccccc1Cl 796144956 UFDTUBKDHQUCQC-SECBINFHSA-N 275.691 3.723 30 20 CHED Cc1ccc2c(C(=O)OC[C@H](C)C#N)csc2c1 796776107 FQRHCOKBNUQYLI-SNVBAGLBSA-N 259.330 3.526 30 20 CHED CC[C@H](C)CCC(=O)O[C@H](C)c1cccc(C#N)c1 796961306 GVDBSRYSYPPWJN-QWHCGFSZSA-N 259.349 3.989 30 20 CHED CCCCc1ccc(OC(=O)[C@](C)(C#N)CC)cc1 797178953 RXKZHKVQSMJWKI-INIZCTEOSA-N 259.349 3.874 30 20 CHED N#CCCN(CC1CC1)C(=O)/C(F)=C\C1CCCCC1 798174528 ZJRJJRDNFOSDGT-RVDMUPIBSA-N 278.371 3.572 30 20 CHED C#Cc1cccc(N(C)C(=O)c2c(F)cccc2SC)c1 798429488 XTKRIXALVFJVGG-UHFFFAOYSA-N 299.370 3.806 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C/c1cnc(C(C)(C)C)s1 798554952 VUYKDAIWZCKNPH-VMPCVLLUSA-N 292.448 3.925 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C(C)C 798556346 IHEZMNWBGKBXGY-UKRRQHHQSA-N 298.386 3.793 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1C#N 799302364 IRDYSKWENXKMFQ-GOSISDBHSA-N 290.366 3.626 30 20 CHED Cc1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1C#N 799319888 SQTIEAKKHSWOEI-ZDUSSCGKSA-N 294.354 3.826 30 20 CHED C#CCOc1ccc(CNC[C@H]2CCCC(F)(F)C2)cc1 800276568 MILJFJKKBUDYQR-HNNXBMFYSA-N 293.357 3.614 30 20 CHED C[C@H](C=NNc1nnc(-c2ccccn2)s1)C(C)(C)C 800816959 SRYTWQBMNCFVTD-SNVBAGLBSA-N 289.408 3.680 30 20 CHED CO[C@H](CSCCO[C@H](C)C#N)c1ccc(Cl)cc1 802752936 ZAKQOAAEKUQPFD-BXUZGUMPSA-N 299.823 3.689 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H](C)c1cccc(CC(C)C)c1 803194097 MYQNHWLKQOCDOH-WMLDXEAASA-N 271.404 3.517 30 20 CHED CCCCCCCCCC(=O)NC[C@@H]1CCOC[C@H]1C 804616453 FBZIXVKOTYKAHQ-CVEARBPZSA-N 283.456 3.916 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C(/C)c1ccccc1 804831042 CPXWOHGLURRFEA-ICFOKQHNSA-N 289.378 3.752 30 20 CHED C=CCCCCCCNC(=O)[C@H](C)Oc1ccccc1 805220063 FWPOUHOLNZQRHT-HNNXBMFYSA-N 275.392 3.707 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)Cc2nc(Cl)ccc21 806579250 ATPHOLUMYDJXJH-UITAMQMPSA-N 291.684 3.836 30 20 CHED Cc1cccc(NN=Cc2ccc(C(F)(F)F)[nH]2)c1 807943853 MGEPCUUXOXGQJM-UHFFFAOYSA-N 267.254 3.788 30 20 CHED c1cncc([C@H]2CCCC(=NNCC3CCCC3)C2)c1 808006955 JDVDGFUOLNHZNM-HNNXBMFYSA-N 271.408 3.875 30 20 CHED C#Cc1ccc(CNCCCO[C@H](C)c2ccccc2)cc1 809603224 LZBQWGIUXPQGJP-QGZVFWFLSA-N 293.410 3.925 30 20 CHED C#CCC1(OC(=O)c2cnc(-c3ccco3)s2)CCC1 810749076 VRMLQRIJGXGRGQ-UHFFFAOYSA-N 287.340 3.506 30 20 CHED C[C@@H]1CCc2c(C(=O)OC3(CC#N)CCC3)csc2C1 810855347 ISCOWZVKHNDTFV-LLVKDONJSA-N 289.400 3.866 30 20 CHED C#CCCN(Cc1ccc(SC)s1)CC(F)(F)F 811490959 WVZRZWTYQWUNGN-UHFFFAOYSA-N 293.379 3.858 30 20 CHED C#C[C@@H](NC/C(C)=C/c1ccccc1OC(F)F)C(C)C 811505068 CMAVIZXKJKOJAX-NRMKIYEFSA-N 293.357 3.939 30 20 CHED CCCC[C@@H](C)N(C)Cc1ccc(O[C@H](C)C#N)cc1 811520325 NAAHLQJJHSIWNY-HUUCEWRRSA-N 274.408 3.988 30 20 CHED CCCCOc1ccccc1C=NNC[C@@H]1CCSC1 811658053 FYEUJEXCSPUISB-AWEZNQCLSA-N 292.448 3.542 30 20 CHED Fc1ccc(CC=NOC/C=C\Cl)c(Cl)c1 811668583 HSRVEHQGHGKZQU-NOZGCHNHSA-N 262.111 3.777 30 20 CHED C[C@H](Cc1ccccc1Cl)Nc1cccnc1C#N 811727824 PFBSRPIVSINDHZ-LLVKDONJSA-N 271.751 3.650 30 20 CHED C#C[C@H](NC(=O)N[C@@H](c1cccs1)C1CC1)C(C)(C)C 811998342 WORUADQPLGOULJ-UONOGXRCSA-N 290.432 3.546 30 20 CHED C#CCN(C)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 812176684 IQWWIVXVHAXVPW-KRWDZBQOSA-N 284.403 3.583 30 20 CHED N#CCCCC(=O)O[C@@H]1CCc2cc(Cl)ccc21 812618252 NGYKDRCBUBBDOO-CYBMUJFWSA-N 263.724 3.564 30 20 CHED CCOc1ccc(NN=C(C)c2ccc3c(c2)OCO3)cc1 814984703 GBOPPCUTFOWOIZ-UHFFFAOYSA-N 298.342 3.650 30 20 CHED C#CCC1(C(=O)N2CCC(C3CC3)CC2)CCCCC1 816906753 UMKXJQWFEPMVSI-UHFFFAOYSA-N 273.420 3.609 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCCC1(O)CCC1 817707813 ODUQCDFYRZCXCS-UYRXBGFRSA-N 283.371 3.660 30 20 CHED CO[C@@H](C=NNc1cc(Cl)nc(Cl)c1)CC(C)C 819828455 DPYXSIMBHJTKOM-SNVBAGLBSA-N 290.194 3.847 30 20 CHED CCCCCCCCCN(C)C(=O)/C=C/[C@H]1CCOC1 822696769 DDXISQDHLRFAOL-OFAQMXQXSA-N 281.440 3.788 30 20 CHED C#CC[C@@H](NC1CCC(C)(C#N)CC1)c1ccccc1 824037542 RWKJAKUHAKCYGQ-LXPRWKDFSA-N 266.388 3.813 30 20 CHED C[C@@]1(CSc2cc(C#N)ccn2)CC1(Cl)Cl 829053041 PXOUMCFAQWDLBR-JTQLQIEISA-N 273.188 3.629 30 20 CHED CCC[C@@H](C=NNc1nccc2sccc12)OC 834941746 JXDTVIIEIRNJJP-JTQLQIEISA-N 263.366 3.509 30 20 CHED COc1cc(NN=C2C[C@H](OC)C23CCC3)ccc1Cl 834977396 UWYHJHFIHRFSBL-AWEZNQCLSA-N 294.782 3.706 30 20 CHED Fc1cccc2c1CC[C@H]2NN=C[C@H]1CC=CCC1 835021751 ZBTLDDDYSZLRGI-BLLLJJGKSA-N 258.340 3.745 30 20 CHED CC[C@H]1CCCC1=NNc1cccc(Br)n1 835024212 FNKVBYQDHPZGMN-VIFPVBQESA-N 282.185 3.822 30 20 CHED C[C@H](CC(C)(C)C)NCc1ccc(O[C@H](C)C#N)cc1 835065303 OFHHWPRPPCWVKH-ZIAGYGMSSA-N 274.408 3.892 30 20 CHED C[C@@H](c1ccc(C(=O)O[C@H](C#N)C2CC2)cc1)C(F)(F)F 835197119 UWPMBOSITJVEIK-TVQRCGJNSA-N 297.276 3.811 30 20 CHED C#CCCCCCCOC(=O)[C@H](C)Sc1ccccn1 835715348 YYRSBSUZPXJSCB-AWEZNQCLSA-N 291.416 3.689 30 20 CHED C#CC[C@H](NC(=O)N[C@H](C1CCC1)C1CC1)c1ccccc1 836376098 IILDTXTZLUSVDS-ZWKOTPCHSA-N 296.414 3.629 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 837597005 ZWUUBSCFGMJQFG-ZWKOTPCHSA-N 291.394 3.861 30 20 CHED C=C(C)CCOC(=O)c1nc2ccccc2nc1C1CC1 838098420 CBJXWGYVDSAXCD-UHFFFAOYSA-N 282.343 3.630 30 20 CHED C[C@@H]1CC[C@H](CCC(=O)OCCC2(C#N)CCCCC2)O1 840242486 ZKIIMQZBCUBCLL-HUUCEWRRSA-N 293.407 3.741 30 20 CHED Cc1cc(/C=C2/COc3ccc(C(C)C)cc3C2=O)nn1C 840717802 IUVDKWMSXPATLR-ZSOIEALJSA-N 296.370 3.511 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cnc(C(C)(C)C)nc1 840722234 ZFUKJSFAMWPWFP-VOTSOKGWSA-N 295.386 3.628 30 20 CHED C=C[C@@H](C)ON=C(C)[C@@H](C)c1ccc(OC)c(OC)c1 844624994 KMSNNCKFPGPNCK-VXGBXAGGSA-N 277.364 3.774 30 20 CHED C=C[C@@H](C)ONC(=O)c1ccc(SC(F)(F)F)cc1 846543237 MTSGQSNLNLDFSC-MRVPVSSYSA-N 291.294 3.534 30 20 CHED C=C[C@@H](OC(=O)c1ccc2c(c1)CCOC2)C(C)(C)C 851008141 MBGBVIMSXUXKDB-OAHLLOKOSA-N 274.360 3.517 30 20 CHED C#CCCCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 852126872 JBCUAOKFYSDHTR-LLVKDONJSA-N 275.783 3.623 30 20 CHED C=CCCCC(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 855548039 ARNIGEHZDKLNQS-INIZCTEOSA-N 273.376 3.741 30 20 CHED CC(C)(C#N)CCOC(=O)c1c(F)ccc(F)c1Cl 856970405 WPEKXBZNBLHVRJ-UHFFFAOYSA-N 287.693 3.715 30 20 CHED CCCc1ccc(/C=C\C(=O)c2cn(C)nc2C)s1 857203020 XGYGRAFHNWLSQK-HJWRWDBZSA-N 274.389 3.639 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1C[C@H]1c1ccco1 860440341 AOYPXUVSYSZDIR-CHWSQXEVSA-N 275.348 3.646 30 20 CHED CC[C@H](CC#N)OC(=O)Cc1cc(Cl)cc(Cl)c1 860694272 DWBRZGCTEDZDMJ-GFCCVEGCSA-N 286.158 3.771 30 20 CHED Cc1c(/C=C\C(=O)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] 871657633 CFMITRDHXIXYCY-FPLPWBNLSA-N 299.330 3.577 30 20 CHED CCC(C#N)(CC)C(=O)Oc1c(F)cccc1Cl 875520148 CJFBMHPNUSFSTE-UHFFFAOYSA-N 269.703 3.714 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2ccc(F)cc2)CC1 876724411 VYNMGDBYILJSCV-AWEZNQCLSA-N 274.383 3.945 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccc(C)o1)C1CC1 878283384 IELGEXFVQUWSEH-UHFFFAOYSA-N 261.365 3.681 30 20 CHED CCN(C[C@H](C)C#N)c1ccc(C(F)(F)F)c(Cl)n1 892840524 PRWOCHADWSJWEY-MRVPVSSYSA-N 291.704 3.740 30 20 CHED C=C1CCC(c2nc([C@](C)(CC)OC)no2)CC1 896314388 RZWASRCOYDQKQB-AWEZNQCLSA-N 250.342 3.555 30 20 CHED C=C(Cl)CN(C)Cc1ccccc1OC(F)(F)F 898578379 KUEKVWMBHRPIGQ-UHFFFAOYSA-N 279.689 3.770 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1cccc(F)c1 899336349 UGYWYDITWHJNBB-FPLPWBNLSA-N 270.307 3.643 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1cn(C)nc1C1CC1)C2=O 899367135 WKVUAPCLZPUUGS-DZZSIBQASA-N 292.382 3.989 30 20 CHED CC[C@H](NCc1cnccc1C)c1cccc(C#N)c1 903007680 FIHGAYBYAGXNNC-KRWDZBQOSA-N 265.360 3.503 30 20 CHED CSc1ccc(C)c(C(=O)OCCCCC#N)c1 914626741 ZIIMINUDRFVVPB-UHFFFAOYSA-N 263.362 3.568 30 20 CHED FC(F)Oc1ccc(Cl)cc1C=NNc1ccccn1 915943417 CKNVYAKJZKCPDT-UHFFFAOYSA-N 297.692 3.782 30 20 CHED CC(=NNCc1cccc2cccnc12)c1scnc1C 915958901 AFXLYCPBOIHUNJ-UHFFFAOYSA-N 296.399 3.514 30 20 CHED Fc1ccc(CNN=Cc2cccc3cccnc23)cc1F 915975295 AUNMMPQECWBIKV-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C=CCN(C(=O)[C@H](C)SCc1ccccc1)C(C)C 916047232 JELFRMPWBPWBSW-AWEZNQCLSA-N 277.433 3.731 30 20 CHED CCCCCCCCCNC(=O)NCc1ccoc1 916194179 IVFUBAKQIMZGDD-UHFFFAOYSA-N 266.385 3.829 30 20 CHED COc1ccc(O)c(C(C)=NNc2ccc(Cl)cc2)c1 916246756 LRAMRTBZDXAMKM-UHFFFAOYSA-N 290.750 3.890 30 20 CHED N#CC1(CSc2nncc3ccccc23)CCCC1 916575548 PYYVDHJEQCZBOW-UHFFFAOYSA-N 269.373 3.806 30 20 CHED CCCOc1cccc(C=NNc2ccccc2)c1 917530741 YXIANRNBCSTJHC-UHFFFAOYSA-N 254.333 3.921 30 20 CHED CCCCCCCCC(=O)Nc1ccc(=O)n(CCC)c1 918116091 WCNALSXVAFFKMD-UHFFFAOYSA-N 292.423 3.947 30 20 CHED Cc1[nH]c2ccc(C(=O)N[C@@H](C#N)C3CCCC3)cc2c1C 921536201 HUOQUUQKGXTDEU-KRWDZBQOSA-N 295.386 3.597 30 20 CHED CCc1ncc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 929756636 IIOHRJFGDOELRS-IRXDYDNUSA-N 295.386 3.509 30 20 CHED C#Cc1ccc(NC(=O)N[C@H](CC(F)(F)F)C(C)C)cc1 934929686 VFVVNPKBPULCHV-CYBMUJFWSA-N 298.308 3.766 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)C[C@@H](C)C#N)CCC2)cc1 1115928727 VHQWJGMFQAOHKT-HNNXBMFYSA-N 298.430 3.850 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCc2ccc(F)cc2)c1 1129687274 BPOUYVYZHRDYOS-UHFFFAOYSA-N 296.345 3.967 30 20 CHED Cc1ccnc(NCC(C)(C)c2cccc(F)c2)c1C#N 1162489772 RIEMKJRYNBMBKR-UHFFFAOYSA-N 283.350 3.791 30 20 CHED CCO[C@H]1C[C@H](Nc2cc(C)c(C#N)cn2)C1(CC)CC 1185543897 MMIDDTJJVAGKCS-GJZGRUSLSA-N 287.407 3.657 30 20 CHED N#Cc1cc(Cl)ccc1SCCc1cccnc1 1188870554 USDLCAGLWRHVIE-UHFFFAOYSA-N 274.776 3.941 30 20 CHED COc1cccc2c1CN(Cc1ccc(C#N)cc1Cl)C2 1196944029 SKLRCJVMWFUKQJ-UHFFFAOYSA-N 298.773 3.736 30 20 CHED CC[C@@H](C)CN1CCC(c2ccc(C#N)cc2)CC1 1201517489 UMNOABOBMTYIMK-CQSZACIVSA-N 256.393 3.784 30 20 CHED Cc1cc(C)cc(NC(=O)NCc2ccc(C#N)c(F)c2)c1 1202851542 KKQGPXLRRQCSFC-UHFFFAOYSA-N 297.333 3.636 30 20 CHED Cc1cc(C)c(/C=C\CN(C)C[C@@H](C)C#N)cc1C 1204826545 LXAVBKPQRKLAIL-FWWRYZNZSA-N 256.393 3.717 30 20 CHED N#C[C@H]1CCCN(c2c(F)cccc2C(F)(F)F)C1 1262373776 KMMUBNHGTGGGES-SECBINFHSA-N 272.245 3.584 30 20 CHED CCCCCCCC(=O)N1CCC(N(CC)CC)CC1 1318405515 CXMQPHOKHNOQKS-UHFFFAOYSA-N 282.472 3.680 30 20 CHED C=CCCOCC(=O)Nc1ccc(C)c(Cl)c1Cl 1319555944 BWDOXCNPGACPMN-UHFFFAOYSA-N 288.174 3.833 30 20 CHED CC(=NNCc1ccc(F)cc1)c1ccc(C)s1 1319750296 BRCLBDWQZYIPIT-UHFFFAOYSA-N 262.353 3.709 30 20 CHED CCC(=Cc1nnc(COc2ccccc2C#N)o1)CC 1326092520 JMCQRJOHSFUARM-UHFFFAOYSA-N 283.331 3.724 30 20 CHED C#CC1CCN(C(=O)N[C@@H](c2ccccc2C)C2CC2)CC1 1326284167 RSICWAICLMIKAY-GOSISDBHSA-N 296.414 3.501 30 20 CHED Cc1cccc([C@H](C)C(=O)OCc2ccc(C#N)s2)c1 1327712489 ZODKSBNBBQDWHV-LBPRGKRZSA-N 285.368 3.775 30 20 CHED C=CCCCCCCNC(=O)N(C)CCC(F)(F)F 1329247047 DSSVUYVWVIJLQO-UHFFFAOYSA-N 280.334 3.717 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1329887315 IWILMAPRHRIGQR-INIZCTEOSA-N 298.430 3.776 30 20 CHED C=CC(C)(C)CC(=O)N(CCCC)c1cccnc1 1331934961 DOHQYKTVVDXBCY-UHFFFAOYSA-N 260.381 3.817 30 20 CHED N#C[C@H](NC(=O)CCc1cc(Cl)cs1)C1CCCC1 1332298382 XSUBKDPNTUKBOA-ZDUSSCGKSA-N 296.823 3.533 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)CC#Cc1ccccc1 1332887885 BECYJTWXKDOKAC-UHFFFAOYSA-N 297.785 3.740 30 20 CHED Cc1cccnc1[C@H](C)Nc1snc(Cl)c1C#N 1337323934 HCGLJDVCTHNTJD-QMMMGPOBSA-N 278.768 3.545 30 20 CHED C=CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(C)C 1341538621 RKYGIGQMZLSXQV-LBPRGKRZSA-N 264.438 3.664 30 20 CHED C=C(CC)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 1347344783 RHPUNNZZKFWGET-UHFFFAOYSA-N 295.386 3.791 30 20 CHED CC(C)(C#N)Cc1nnc(-c2ccc(Cl)cc2F)o1 1349996370 AOODUKXLLHBDMS-UHFFFAOYSA-N 279.702 3.621 30 20 CHED C=CCN(C(=O)CSCc1cccs1)C(C)(C)C 1351269492 BDNMPCZFBZGHBD-UHFFFAOYSA-N 283.462 3.794 30 20 CHED CC(Cn1cccn1)=NN[C@H](C)c1ccc(C(C)C)cc1 1355585153 VYJBYJVIIMQJNH-OAHLLOKOSA-N 284.407 3.733 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)[C@H](CC#N)c1ccccc1 1355755030 SDPKRRDXHAGUDD-CRAIPNDOSA-N 292.382 3.903 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(C2CC2)cc1 1355858041 OLHHIXBXFNRLPM-UHFFFAOYSA-N 276.339 3.996 30 20 CHED CNc1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2C)c1 1445215594 OQQFJYQPMZFTIG-UHFFFAOYSA-N 299.761 3.814 30 20 CHED Cc1cc(=N[C@H]2CC(C)(C)c3ccccc32)c(C#N)c[nH]1 1458251211 KDDFNJLJUNRCSA-KRWDZBQOSA-N 277.371 3.518 30 20 CHED C=C(Cl)CN[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 1459911342 NQOVQKDAUAPOAT-SNVBAGLBSA-N 295.745 3.587 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)oc1C 1460924589 ZYMJURDEPZQEPP-UONOGXRCSA-N 288.391 3.796 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccc(C)cc1 1520008209 IBUGWPMSNZGRAV-QGZVFWFLSA-N 296.345 3.887 30 20 CHED CC(C)CC(CC(C)C)C(=O)NCc1ccc(C#N)cc1 1532210788 YHCPEJFSTDYCJM-UHFFFAOYSA-N 286.419 3.883 30 20 CHED C=C(Cl)Cn1c(N(C)CC(C)(C)C)nnc1C(C)(C)C 1539820484 NSXPXPLLUNECGP-UHFFFAOYSA-N 298.862 3.810 30 20 CHED C=CCCCCNC(=O)N[C@@H]1c2ccccc2NC1(C)C 1574907603 SRQRZKLKSUNRCO-OAHLLOKOSA-N 287.407 3.587 30 20 CHED O=C(O)c1c(F)cccc1NN=CC1CCCCC1 1602230088 DQEZMCTZIWMSQU-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CCCCCCCCC(=O)N(C1CCC1)[C@@H](C)C(=O)O 1605266947 OOCNAJYCUATOPL-ZDUSSCGKSA-N 283.412 3.591 30 20 CHED Cc1n[nH]cc1Nc1c(C#N)cnc2c(Cl)cccc12 1611889495 QJWMCTAYODVFMN-UHFFFAOYSA-N 283.722 3.535 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc2c1OCC2 1621404469 LAXPQGXZMIWPSL-CQSZACIVSA-N 292.382 3.686 30 20 CHED Cc1ccc(C#N)c(S[C@H]2CCOc3ccccc32)n1 1639614806 YXMMFFQDOLKRMX-HNNXBMFYSA-N 282.368 3.878 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1CCc1ccc(C#N)cc1 1644682047 NNKYKIMDNMIPHK-CQSZACIVSA-N 294.373 3.859 30 20 CHED C[C@H]1CCCC[C@@H]1CN1CCN(c2ccc(C#N)cc2)CC1 1654544172 ZTYHBVWCTVALOV-FUHWJXTLSA-N 297.446 3.507 30 20 CHED Cc1ccc(C=NN[C@@H](C)C2CCCCC2)c(C(=O)O)c1 1776040456 RGHIJKZOGNFGOP-ZDUSSCGKSA-N 288.391 3.586 30 20 CHED CCCCCCCC(=O)OCc1cncc(F)c1 3615268 WYWUQGBKWJCJNS-UHFFFAOYSA-N 253.317 3.624 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)s1 8080298 QGTMEGJJSGYQPP-BQYQJAHWSA-N 253.326 3.824 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2cccc(C#N)c2)o1 16433543 ZHQREFZWTPESSB-DYVFJYSZSA-N 280.371 3.907 30 20 CHED C[C@H](NC(=O)CCCc1cccs1)c1ccc(C#N)cc1 26113673 FHWWZACUBMQIMW-ZDUSSCGKSA-N 298.411 3.820 30 20 CHED CC[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 26127440 NPJQYYYJXSXCGJ-RDTXWAMCSA-N 292.382 3.929 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(C#N)cc2)C1 31726166 ADQPGFRFXXZVJZ-WFASDCNBSA-N 271.364 3.601 30 20 CHED CCN(Cc1cccc(C#N)c1)Cc1cccs1 42211403 LZHUNWLJUJIGKF-UHFFFAOYSA-N 256.374 3.642 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)CCCC(C)C 44766508 NTVSZSLRKGOBBF-ZDUSSCGKSA-N 252.402 3.647 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cccc(Cl)c2)cc1 49904434 XAHCSFKJWRCWFA-MRXNPFEDSA-N 298.773 3.897 30 20 CHED CCCN(CC#N)Cc1nc(-c2ccc(C(C)C)cc2)no1 58910237 YJQQYQJYRRGADC-UHFFFAOYSA-N 298.390 3.596 30 20 CHED Cc1ccc(CCNCc2ccc(C#N)cc2)c(C)c1 65431470 DAIHLVUYVUKKMI-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)c1cccc2ccccc12 69358573 SWQIHNASXAKNME-CQSZACIVSA-N 283.371 3.784 30 20 CHED C=C(Cl)CSc1nnc(C2CC2)n1-c1ccccc1 72098905 XGUCLPMNEKWNQT-UHFFFAOYSA-N 291.807 3.989 30 20 CHED C[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)c1cccc(C#N)c1 75270271 FHRWCALLWINPJT-CHWSQXEVSA-N 296.345 3.678 30 20 CHED Cc1cc(C)cc(NC(=O)c2cc(C#N)ccc2C)c1 75913916 LEAHQIKHNNFXAE-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CCc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1 78023036 RLPUSZQYDFKTLS-BQYQJAHWSA-N 255.292 3.679 30 20 CHED N#Cc1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)cc1 78299555 UIIIZUVYIVDXKK-IBGZPJMESA-N 289.787 3.661 30 20 CHED CC[C@H](c1ccc(F)cc1F)[S@@](=O)CCCCC#N 78735056 ZICGGTRTOQGHII-AUUYWEPGSA-N 285.359 3.858 30 20 CHED N#CCc1cccc(C(=O)OCc2cc3ccccc3o2)c1 78803294 URESPXOXDFCQEB-UHFFFAOYSA-N 291.306 3.856 30 20 CHED C[C@H](c1ccco1)N(C(=O)c1cc(C#N)cs1)C1CC1 84085752 HVGXNFVHDROEFN-SNVBAGLBSA-N 286.356 3.579 30 20 CHED C=C[C@H](CC(=O)Nc1cc(C(C)C)n[nH]1)c1ccccc1 89486387 YBFHDLAPRRKBPT-CYBMUJFWSA-N 283.375 3.832 30 20 CHED C=CCc1cc(CN(C)[C@H](C)C2(C)CC2)cc(OC)c1O 91900479 GNLBLNVNUCEHMN-CYBMUJFWSA-N 289.419 3.750 30 20 CHED CCC[C@@H](C#N)NC(=O)C(CC)(CC)c1ccccc1 92003764 WPWFDHIJHDQPAQ-HNNXBMFYSA-N 272.392 3.553 30 20 CHED N#Cc1csc(CN2CCc3c([nH]c4ccccc34)C2)c1 93759026 CVQMFFRRGDWQPC-UHFFFAOYSA-N 293.395 3.659 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc2cc[nH]c2c1 103440217 SWILXCTYXZTYAY-UHFFFAOYSA-N 283.375 3.570 30 20 CHED C=CCCOC(=O)c1cnc(Cc2ccc(F)cc2)s1 103646145 AHISOFKEVGPUPL-UHFFFAOYSA-N 291.347 3.606 30 20 CHED CC[C@@H](CC(=O)N(C)c1cccc(C#N)c1)C(C)C 104325963 AIVFTZQZWDGSLX-AWEZNQCLSA-N 258.365 3.593 30 20 CHED CN(Cc1ccccc1Cl)c1cccc(F)c1C#N 105791125 KJGIJXMGOANELQ-UHFFFAOYSA-N 274.726 3.987 30 20 CHED CSc1ccsc1C(=O)Nc1ccc(C#N)cc1 107084975 XJNKTWKPPDYRLQ-UHFFFAOYSA-N 274.370 3.594 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(SC)cc2)c1 108182996 XPXNJYKFFCRKBJ-UHFFFAOYSA-N 297.379 3.673 30 20 CHED N#Cc1ccc(NC[C@@H]2CCOc3ccccc32)cc1 108846661 LGMYLQIAIBFQDK-AWEZNQCLSA-N 264.328 3.536 30 20 CHED C[C@@H]1C[C@@H]1NCc1cccc(OCc2ccccc2C#N)c1 109015645 WVWRKMRRZRCPPE-KUHUBIRLSA-N 292.382 3.635 30 20 CHED C=CC1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 110370052 LVBAXQDOGRKQAO-AWEZNQCLSA-N 257.377 3.605 30 20 CHED CCCCCCCCc1nc([C@H](N)C(C)C)no1 115065787 XKZKHGJZMFVMRJ-CYBMUJFWSA-N 253.390 3.628 30 20 CHED CCCCCCCCC(=O)Nc1cc2c(cc1N)OCO2 115854601 IIUDJVBPPDDLTG-UHFFFAOYSA-N 292.379 3.687 30 20 CHED C=CC[C@H](C)NC(=O)CCCCOc1cccc(C)c1 116858575 NLPJYMFYSMJIEO-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(-c2csnn2)cc1 125837994 YSYMKSKUYDZZBQ-UHFFFAOYSA-N 299.399 3.912 30 20 CHED CC(=O)c1c(C)cc(C)c(CN(C)[C@H](C)CC#N)c1C 129670979 ACMKYXXXXBFOIW-CYBMUJFWSA-N 272.392 3.548 30 20 CHED COc1cc(C#N)ccc1N[C@H](C)c1ccccc1F 129933788 CVQRLTHTMVBCEZ-LLVKDONJSA-N 270.307 3.879 30 20 CHED CC/C=C(/C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 130772241 VIAIHPSGUCMVAX-SDQBBNPISA-N 272.348 3.640 30 20 CHED C[C@@H]1CC[C@@H](Nc2nc3ccccc3cc2C#N)C1 132732517 IOBIKPGMXGZAMU-BXUZGUMPSA-N 251.333 3.707 30 20 CHED COc1cccc(CNc2ccc(C#N)cc2)c1OC(C)C 132854615 OYDREDDZVQZXPQ-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C=C(Br)CN[C@@H](CC)c1ccc(C)cc1 133308350 GYUDTDNLPIGIPY-ZDUSSCGKSA-N 268.198 3.944 30 20 CHED C=C(Cl)C[S@](=O)[C@H](C)c1cccc(Cl)c1 150900017 AJSNCZWQHBAYOK-RFAUZJTJSA-N 263.189 3.902 30 20 CHED C=CCCSCC(=O)Nc1ccc(C(F)(F)F)cc1 151970004 TVMKBWLLOKDSCW-UHFFFAOYSA-N 289.322 3.953 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 152398052 PZQDEZGFILOYLB-ZDUSSCGKSA-N 271.364 3.602 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cccc(C)c2C)CC1 152958174 QLVMZOICIWTSQN-KRWDZBQOSA-N 286.463 3.995 30 20 CHED C=CCNC(=O)Nc1ccc(NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1 156128480 ZJSCFDFJELQZIW-SOUVJXGZSA-N 297.402 3.618 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)OC(F)(F)O3)s1 157439672 ZNBYCHVRLPDKCG-UHFFFAOYSA-N 294.282 3.553 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)c1 160315271 LLCRWLZOHJCBSN-HUUCEWRRSA-N 281.380 3.780 30 20 CHED N#CCCCCSCCOc1ccccc1F 160997756 KAEKVCLQWMWHMQ-UHFFFAOYSA-N 253.342 3.632 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC1Cc2ccccc2C1 162260147 SIYFTABRUCRSAX-ZDUSSCGKSA-N 278.355 3.557 30 20 CHED C=C(C)COCCN[C@H](C)c1cc(C)c(C)cc1C 163515850 YGNYHWONNJXEIG-MRXNPFEDSA-N 261.409 3.855 30 20 CHED C=CCNC(=O)c1ccc(NCc2ccc(C)c(F)c2)cc1 171658155 HGFARBRJUABIRJ-UHFFFAOYSA-N 298.361 3.662 30 20 CHED N#Cc1cccc(SCCCOCC(F)(F)F)c1 177111069 CQDDHZOVUCIWPP-UHFFFAOYSA-N 275.295 3.619 30 20 CHED CC[C@@H](CNCc1cc(C#N)cs1)c1ccccc1 177681341 PBUNISOPNNGXJT-AWEZNQCLSA-N 270.401 3.903 30 20 CHED Cc1ccc(C[C@@H](NCCCCC#N)C2CC2)cc1 178650391 QGKFXHKYPFKWAS-QGZVFWFLSA-N 256.393 3.600 30 20 CHED CC(C)(C#N)c1ccccc1CO/N=C1/CCCOCC1 180471534 HDYGMMNPFTZAKY-CYVLTUHYSA-N 286.375 3.561 30 20 CHED C[C@@H](C1CC1)N(C)Cc1ccc(C#N)cc1Br 180930969 GBSWICFJWUKPLF-JTQLQIEISA-N 293.208 3.551 30 20 CHED C=C(C)COCCN[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 180946694 SFHXZMSJALMKGQ-OAHLLOKOSA-N 298.430 3.516 30 20 CHED C=C(C)CN(C)Cc1cnc(-c2cccs2)s1 181049531 CCASGNHAQANOAA-UHFFFAOYSA-N 264.419 3.880 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)c1ccccc1 183283706 VISPIADHFHIBBA-WBMJQRKESA-N 298.773 3.825 30 20 CHED CC[C@H](CC#N)NC(=O)CCCC1CCCCC1 183809801 LOIQQLSXPXPTNK-CQSZACIVSA-N 250.386 3.545 30 20 CHED Cc1cc2occ(CC(=O)OCC3(C#N)CCC3)c2cc1C 183848414 ZWZOWQNHMKJTQW-UHFFFAOYSA-N 297.354 3.829 30 20 CHED CC[C@@H](CC#N)NCc1cnc(-c2cccs2)s1 184097513 ZPMDSMZARCCXMZ-JTQLQIEISA-N 277.418 3.653 30 20 CHED C#CCOc1ccccc1NCc1sccc1C 185173511 CYOXYKJELDTAMU-UHFFFAOYSA-N 257.358 3.681 30 20 CHED Cc1cc(C#N)ccc1CSCc1noc(C(C)C)n1 186082936 QFOGWFJLHXIAIB-UHFFFAOYSA-N 287.388 3.807 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CC=CCC2)CC1 187297169 LWYFNRXXCMIQNU-KSTDHSDQSA-N 288.435 3.958 30 20 CHED C=CC[C@H](C(=O)N(C)C[C@H](C)CC)c1ccccc1 187855128 GLRNZWMDFBTYPT-ZBFHGGJFSA-N 259.393 3.851 30 20 CHED C=C[C@](C)(CCOC)C(=O)NC[C@H](CC)c1ccccc1 188024877 HFIHBZDSQRWYOD-MAUKXSAKSA-N 289.419 3.525 30 20 CHED C[C@H](CCC#N)Sc1ncc(-c2ccccc2)n1C 188265722 RQHRSKPXEPOGJF-GFCCVEGCSA-N 271.389 3.871 30 20 CHED C=CCC1(C(=O)NCC(C)(C)c2ccccc2)CCC1 188441418 SERNCVVZSMJMQU-UHFFFAOYSA-N 271.404 3.827 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)/C(=C/C)CC 188656396 UMBNWEDRZFLUDF-WLRTZDKTSA-N 261.340 3.697 30 20 CHED CCCOc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 188938417 OMCHPOAHIQXTKP-UHFFFAOYSA-N 298.317 3.738 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C1(Cc2ccccc2)CC1 189922808 TXNWESPVHBQBFN-UHFFFAOYSA-N 298.430 3.940 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1C[C@]1(C)C(C)C 189933972 KDHJGNPYTKSIDM-CZUORRHYSA-N 264.413 3.599 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C[C@H]1CCCOC1 192827896 ISBKCGBQJNZAAE-HZPDHXFCSA-N 283.456 3.916 30 20 CHED N#CCC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 193039327 SCBYFEQLXFJBGK-BHYGNILZSA-N 267.376 3.703 30 20 CHED N#CCCCOc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 193083181 RFNAGJVVEIFJFW-GJZGRUSLSA-N 283.375 3.863 30 20 CHED C=CCN(CC=C)C(=O)[C@H](CC)c1ccc(F)cc1 193122173 KQZUDMZOYPGXRI-OAHLLOKOSA-N 261.340 3.520 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)C12CC3CC(CC(C3)C1)C2 194080033 CMRFDENRICHIGD-IWECOHLESA-N 285.435 3.624 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(SC)cc1 194843199 BCQGDUATPGRYCF-STQMWFEESA-N 294.416 3.994 30 20 CHED CC(C)(CCC#N)COC(=O)c1cccc2cc[nH]c12 195081559 RXMKZSBPOSPWID-UHFFFAOYSA-N 270.332 3.655 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 195476702 YJTUNEKQVXJDIA-GVXVVHGQSA-N 288.778 3.976 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2ccc(F)cc2F)c1 206978540 REJUNEGRQBYTTH-ALCCZGGFSA-N 269.250 3.733 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1cccc(F)c1C#N 224439554 PPAUXAZNDPNOPR-KBPBESRZSA-N 264.369 3.783 30 20 CHED CS[C@@H]1CCC[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 231777933 NOOVZXWWDDIVBH-NWDGAFQWSA-N 291.376 3.553 30 20 CHED CC1(CNc2nc(Cl)c(C#N)s2)CCCC1 232820471 VKJKJTJPWUACFV-UHFFFAOYSA-N 255.774 3.660 30 20 CHED C=CCN(C(=O)c1ccc(F)c2ccccc12)C1CC1 236254970 WJXRSTWGMXJMKV-UHFFFAOYSA-N 269.319 3.770 30 20 CHED C/C(=C/c1ccccc1)CNCc1cccc(C#N)c1 236703256 OUUQNPVZDGMNHQ-GDNBJRDFSA-N 262.356 3.751 30 20 CHED C=C[C@@H](C)NCc1ccc(OC)c(OCc2ccccc2)c1 237246252 UFGCNFVYKYAEHK-OAHLLOKOSA-N 297.398 3.938 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@H]3CCCC[C@H]3C2)c1 250910943 XPJUEDMOBIDFJA-CABCVRRESA-N 272.367 3.709 30 20 CHED O=[N+]([O-])c1cccc(CON=Cc2ccc(Cl)cc2)c1 255512584 LDIIFUOLLQQGEU-UHFFFAOYSA-N 290.706 3.799 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(OCC#N)cc1 266634129 QQGBKFCRTRYSAR-AWEZNQCLSA-N 292.448 3.552 30 20 CHED C=CCCCCNC(=O)N[C@@H](CC)c1nc(C)cs1 274606819 SMZDIPPVNCWLGY-LBPRGKRZSA-N 281.425 3.558 30 20 CHED C=CCCCCN[C@H](c1ccc(F)cc1)c1ncc[nH]1 275742612 QRDFFBPGZWEFJE-OAHLLOKOSA-N 273.355 3.584 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC=C(c2cccc(C)c2)CC1 285495001 AGGFHFULAJYVEN-SFHVURJKSA-N 282.387 3.551 30 20 CHED C=CCC1(C(=O)Nc2ncc(-c3ccccn3)s2)CCC1 286032682 QLLSATNCBANTOJ-UHFFFAOYSA-N 299.399 3.890 30 20 CHED C[C@@H]1CN(c2nc(Cl)c(C#N)s2)[C@H]1c1ccccc1 288402630 MXPRVAFRHUHSKC-BXKDBHETSA-N 289.791 3.866 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncccc1CCCCOC 291427245 IWHGBRMFIRHZAI-KRWDZBQOSA-N 290.407 3.592 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccsc1 296404206 KMFKKAOZSOKPFT-YUELXQCFSA-N 265.422 3.770 30 20 CHED CC1CCN(c2ccc(Nc3ncccc3C#N)cc2)CC1 301080142 SSWKGQCBGHYRGR-UHFFFAOYSA-N 292.386 3.933 30 20 CHED COc1ccc2cc(CNc3ccc(C#N)nc3)ccc2c1 301516898 GOTLFDFTHVKGAS-UHFFFAOYSA-N 289.338 3.727 30 20 CHED COC1(CNc2ccc3cc(C#N)ccc3n2)CCCCC1 302476387 XHLWPIXGKSEANE-UHFFFAOYSA-N 295.386 3.868 30 20 CHED N#Cc1cc(F)c(NC2CC=CC2)cc1Br 309436161 HVKZGCBPEPNXFA-UHFFFAOYSA-N 281.128 3.590 30 20 CHED CCN(CC)c1ccc(N[C@@H](C)c2ccc(C#N)cc2)cn1 315665081 PGRKDOQJFWDWIN-AWEZNQCLSA-N 294.402 3.973 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C2C3CC4CC(C3)CC2C4)C1 328722033 XHAZMFSFEWQMPN-CZOCAIASSA-N 290.407 3.523 30 20 CHED OC1=N[C@@H](/C(O)=N/C2CCC(C(F)(F)F)CC2)CCC1 328784764 IKLSPVVZWXSENH-UDNWOFFPSA-N 292.301 3.573 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(CC#N)cc1 330492895 RQROWNWPJGFLNN-XJKSGUPXSA-N 284.403 3.697 30 20 CHED CCCCn1ncc(N=C(O)N2[C@@H](C)CC[C@H]2CC)c1C 330665660 VRMPTTXXDZZSSS-GXTWGEPZSA-N 292.427 3.800 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1 331019749 JIIIHVFGBJEGSR-HYVNUMGLSA-N 284.403 3.769 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1C/N=C(/O)c1csc(C(C)C)n1 331228961 GXJGJHMIHAKKLO-AAEUAGOBSA-N 294.420 3.552 30 20 CHED CCC1(/N=C(/O)c2ccc(C(C)C)cc2O)CCOCC1 331232192 IYHLXYRWZVRLIN-UHFFFAOYSA-N 291.391 3.779 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)[C@H]2CCCC[C@@H]12 332240294 ITPJCPMHFOZAOQ-COXVUDFISA-N 297.402 3.795 30 20 CHED Cc1cccc([C@@H]2CCN(C(=O)c3ccc(C#N)s3)C2)c1 334433572 XQYIXWYYNDFSPN-CQSZACIVSA-N 296.395 3.558 30 20 CHED Cc1cccc(NC(=O)N2CCC(CC#N)CC2)c1Cl 335981564 RQPPKYLBPNINAE-UHFFFAOYSA-N 291.782 3.806 30 20 CHED C=CCCN[C@@H](C)c1ccc(SCCOC)cc1 338565923 CIFHGCWYGCFZOZ-ZDUSSCGKSA-N 265.422 3.652 30 20 CHED Cc1ccc([C@H]2OCCC[C@@H]2Nc2cccc(C#N)n2)cc1 339216097 WZSQUPHPNSRMQV-FUHWJXTLSA-N 293.370 3.594 30 20 CHED Cc1nc(-c2nc([C@@H]3CCCC(C)(C)C3)no2)ccc1C#N 339514724 OYCOGINVULUZEW-GFCCVEGCSA-N 296.374 3.996 30 20 CHED C=CCN(C(=O)c1ccc(-c2cccs2)o1)C1CC1 341544021 VUNUFTXVHAPQAV-UHFFFAOYSA-N 273.357 3.799 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(C2CCCC2)c1CC 341625260 AFJYDOAUBQQASE-ZDUSSCGKSA-N 289.423 3.645 30 20 CHED CCCOc1cccc(C(=O)N(C2CC2)C2(C#N)CCC2)c1 341629025 IYHNPMXMJJVUNM-UHFFFAOYSA-N 298.386 3.526 30 20 CHED COCCSc1ccc([C@@H](C)NCCCCC#N)cc1 341744124 MJHZBDNEPBJINW-CQSZACIVSA-N 292.448 3.770 30 20 CHED N#Cc1ccc(NCCn2ccc3cc(Cl)ccc32)cn1 343236484 USRSMONAPKNJAW-UHFFFAOYSA-N 296.761 3.673 30 20 CHED C=CCC[C@H](NC(=O)N[C@H]1C[C@H]1C(F)F)c1ccccc1 345594935 LAWMVVNUWHWRIR-RDBSUJKOSA-N 294.345 3.647 30 20 CHED CC[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 346143006 GXXBHEJBLOTYMG-GOSISDBHSA-N 292.382 3.758 30 20 CHED N#CCCN(Cc1ccc2occc2c1)Cc1ccco1 347675342 OQQYWFSXJHMOSD-UHFFFAOYSA-N 280.327 3.942 30 20 CHED C=CCOCCCN[C@@H](C)c1ncc(-c2ccccc2)o1 348035188 PFTWIWDNFKAVCP-AWEZNQCLSA-N 286.375 3.585 30 20 CHED C=CCN(Cc1ncc(Cl)cc1Cl)C1CC1 348922244 UBYRQKHYNVHTFG-UHFFFAOYSA-N 257.164 3.539 30 20 CHED N#CCCCCNC(=O)CCc1ccc(-c2ccccc2)o1 349303295 YOGODVRXXFCUHI-UHFFFAOYSA-N 296.370 3.689 30 20 CHED C=C(C)CN(C)Cc1ccc(OCc2cccnc2)cc1 351106020 WVSOKXUKWVDNCL-UHFFFAOYSA-N 282.387 3.669 30 20 CHED N#Cc1cc(Cl)cc(OCCCO[C@@H]2CCCCO2)c1 352198907 RPDMPAPHORGIAZ-OAHLLOKOSA-N 295.766 3.524 30 20 CHED C[C@H]1CC(NC(=O)Nc2ccc(C#N)cc2)C[C@H](C)C1 352561555 XWCLRANEDIOFCZ-VXGBXAGGSA-N 271.364 3.504 30 20 CHED CC(C)(C#N)CNC(=O)N[C@@H](CC1CCC1)c1ccccc1 354904748 BFHKWAWMBPDNSF-INIZCTEOSA-N 299.418 3.767 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 355488286 VYQLMUICVHGSNS-VXGBXAGGSA-N 286.375 3.578 30 20 CHED C=CCOCCCC(=O)NC1CCC(CC)(CC)CC1 355825924 BFXBPOUWZOVOOG-UHFFFAOYSA-N 281.440 3.834 30 20 CHED C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC(C)(C)C1 356741365 RMKKEYVQEGSJAI-DOTOQJQBSA-N 298.430 3.969 30 20 CHED C=CCOCC(=O)Nc1cc(-c2ccc(C)o2)ccc1C 357523697 LYBQJDUQZVMDCL-UHFFFAOYSA-N 285.343 3.705 30 20 CHED C=CCC1(C(=O)Nc2cnn(CCCC)c2C)CCC1 358178643 DMRFJTVNUFKTDL-UHFFFAOYSA-N 275.396 3.677 30 20 CHED COC1CCC(C)(CNc2ccc(C#N)cc2)CC1 359849305 UJCNHABOHXDHQI-UHFFFAOYSA-N 258.365 3.565 30 20 CHED N#Cc1ccc(Cl)cc1NCC1(C(F)F)CC1 359852202 XUGPAHYXUNSLHB-UHFFFAOYSA-N 256.683 3.669 30 20 CHED C=CCSCCNC(=O)Nc1ccc(C2CC2)c(C)c1 360822744 RZDDBLKJNABABA-UHFFFAOYSA-N 290.432 3.913 30 20 CHED Cc1ccc(CCC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)s1 362121906 HVJCRKQGBVUHKD-MLGOLLRUSA-N 290.432 3.578 30 20 CHED C=CCN(Cc1coc(-c2c(F)cccc2F)n1)C1CC1 367557752 SZILHPNOTXLOLK-UHFFFAOYSA-N 290.313 3.770 30 20 CHED C=CCCCCCCNCc1cnn2ccccc12 382184245 INOXJSVOVUTOLJ-UHFFFAOYSA-N 257.381 3.560 30 20 CHED N#CCCC1CCN(C[C@H]2CCCCC2(F)F)CC1 399354950 GLNTWGHIBPQHNK-CQSZACIVSA-N 270.367 3.828 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N[C@H](C#N)C1CCCCC1 402568154 PBFWRXJHCJSXEZ-ZYHUDNBSSA-N 290.329 3.554 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1ccc(C#N)c(F)c1 404822836 FGGSMQVTDUDKHQ-ATCWAGBWSA-N 260.356 3.612 30 20 CHED CCCCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1CC#N 410973874 XCDLDVPGTDKZBD-NSHDSACASA-N 294.782 3.550 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCS1 412810460 APWQINRQDSGHGU-HOTGVXAUSA-N 289.444 3.576 30 20 CHED CC(F)(F)CCOc1cc(Br)ccc1C#N 413009472 RNIGVBVVSOMHHP-UHFFFAOYSA-N 290.107 3.745 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ncc(C#N)cc2F)C1 413161969 DXSQFQQESQXRJD-BZNIZROVSA-N 299.324 3.819 30 20 CHED CC[C@H](N[C@@H](C)[C@](C)(OC)C1CC1)c1ccc(C#N)cc1 414250836 XVDWQJGCJDGFES-KKXDTOCCSA-N 286.419 3.803 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC[C@@H]2C2CC2)s1 414488932 UZNFSZMCXJWHAX-IUODEOHRSA-N 260.406 3.536 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)[C@H](C)[C@H]1C)c1ccccc1 416061118 CWNOGCNHFOPPLL-CAOSSQGBSA-N 271.404 3.849 30 20 CHED N#CC1(COc2ccccc2OCC(F)(F)F)CCC1 418870930 PXRYGGOUTOGGSC-UHFFFAOYSA-N 285.265 3.700 30 20 CHED Cc1nn(Cc2ccc([C@@H](C)C(F)(F)F)cc2)cc1C#N 418976902 WBWOKJMMLHMDFZ-SNVBAGLBSA-N 293.292 3.777 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nnc(-c2ccsc2)s1 425200331 JTKZJJOOFXRCLP-UHFFFAOYSA-N 293.417 3.807 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 429221720 ODFCFRUEVDUZNF-ZDUSSCGKSA-N 291.782 3.912 30 20 CHED C=C(C)CNC(=O)Nc1ccc2ccn(CCC)c2c1 429415183 HNEBEHOPMNCDKV-UHFFFAOYSA-N 271.364 3.749 30 20 CHED CC(C)C1CCC(N(C)C(=O)NCC2(CC#N)CC2)CC1 431120149 SZQJGXVDTGIVGC-UHFFFAOYSA-N 291.439 3.536 30 20 CHED C=CCCCCNC(=O)Nc1c(Cl)ccc2c1CCO2 433484830 UNGGQAWHUUNJIW-UHFFFAOYSA-N 294.782 3.753 30 20 CHED CC(C)Oc1ccc(NC(=O)CC2CCCC2)cc1C#N 435358432 ZPVBEWXHKAAQCZ-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCc1ccsc1 436314804 ZIAYRLSPBITJGU-BMFZPTHFSA-N 279.449 3.640 30 20 CHED COc1cc(CN(CCC#N)CCC(C)C)ccc1C 436484326 HMIVSQUDSAVTDA-UHFFFAOYSA-N 274.408 3.765 30 20 CHED CN(CC#Cc1ccc(F)cc1)[C@H]1CCc2ccccc2C1 437551448 XZRPBCUVAXVYQG-FQEVSTJZSA-N 293.385 3.667 30 20 CHED C=CCC[C@@H](NCc1ccc(OCC2CC2)nc1)C1CC1 438986370 QDQPQJHALHFSFM-QGZVFWFLSA-N 286.419 3.705 30 20 CHED CC(C)[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1nc2ccccc2[nH]1 446822256 VOZBNDDBULOZJD-KEYYUXOJSA-N 296.418 3.932 30 20 CHED C=C(C)CCNC(=O)Cc1ccc(Cl)c(Cl)c1 448550783 KNYUKZKDPOCLQG-UHFFFAOYSA-N 272.175 3.618 30 20 CHED CCC(CC)CN(CC)C(=O)[C@@]1(C#N)CC12CCCC2 448701619 TWUSDQNXKVIGPD-KRWDZBQOSA-N 276.424 3.745 30 20 CHED C=CC(C)(C)CNCc1c(C)nn(Cc2ccccc2)c1C 449484518 HQILGEXZLRYWRL-UHFFFAOYSA-N 297.446 3.850 30 20 CHED C=CCC1(C(=O)Nc2scnc2C)CCCCC1 450123932 BXPQAYGGFXONCI-UHFFFAOYSA-N 264.394 3.917 30 20 CHED C=CCC1(C(=O)N[C@H]2CCOC3(CCCC3)C2)CCCC1 450154216 AUTXEMPCPFOSHI-HNNXBMFYSA-N 291.435 3.731 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1cccc(Cl)c1C#N 450301436 FYZSIJHSFCPVFZ-WDEREUQCSA-N 264.756 3.581 30 20 CHED N#Cc1cnc(NC[C@@H]2CCCCC2(F)F)c(Cl)c1 450583489 MGZNXYHSCXCGKG-JTQLQIEISA-N 285.725 3.844 30 20 CHED C=C(CNC(=O)[C@H]1C[C@]1(C)c1ccccc1)c1ccccc1 451759298 RKQUFEANDFVCDO-UYAOXDASSA-N 291.394 3.794 30 20 CHED N#CC[C@@H](CC(=O)NCC1=CCCCC1)c1ccccc1 452294779 XKRAMZPFWANEMK-KRWDZBQOSA-N 282.387 3.691 30 20 CHED C=C(C)CCNC(=O)c1cc(F)cc(C(F)(F)F)c1 452718752 QVJBKJRSROVWGK-UHFFFAOYSA-N 275.245 3.541 30 20 CHED CO[C@@H](C)c1nc(CNc2cccc(CC#N)c2)cs1 453150827 SULFDOFOZDWENO-NSHDSACASA-N 287.388 3.529 30 20 CHED C=CCCc1noc(C(C)(C)Cc2ccccc2)n1 453226226 FLDQQAUXYGSKML-UHFFFAOYSA-N 256.349 3.709 30 20 CHED C=C(C)CCNC(=O)N[C@@H](c1ccccc1)C(C)C 454209183 RXXXOFRKOFAHMO-OAHLLOKOSA-N 260.381 3.649 30 20 CHED Cc1cccc([C@H](C)NC(=O)NCC2CCC(C#N)CC2)c1 454902476 DBRFMJCHEMLIRQ-FHERZECASA-N 299.418 3.685 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1F 455379576 HRJQMGUCGMRPCR-DZGCQCFKSA-N 276.355 3.817 30 20 CHED C=CCCCNC(=O)Nc1ccc(C(=O)C(C)C)cc1 455790745 GNUXULAVYXWEQH-UHFFFAOYSA-N 274.364 3.613 30 20 CHED CC[C@@H](CC#N)NC(=O)C(C)(C)Cc1ccc(Cl)cc1 457763047 VAJMTWXJICYIHQ-AWEZNQCLSA-N 292.810 3.717 30 20 CHED CCC[C@@H](NC(=O)c1cccc(C#N)c1C)C1CCC1 458333389 OVRRIPZKQDUTHN-MRXNPFEDSA-N 270.376 3.565 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)CCC=C(C)C 458965881 CBPOQLVGABLLRX-AWEZNQCLSA-N 250.386 3.505 30 20 CHED C[C@@H](CCc1ccsc1)NCC(C)(C)CC#N 459727666 HMXKKBPZFCEVQO-LBPRGKRZSA-N 250.411 3.599 30 20 CHED CCO[C@@H]1C[C@H](Nc2ccc(Cl)cc2C#N)C12CCC2 462887699 BSSJTDPYOYMKKU-LSDHHAIUSA-N 290.794 3.971 30 20 CHED C=C[C@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 465106752 GUFNZOYBAWGFKA-VIFPVBQESA-N 272.175 3.617 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C 465136861 RBAMQPHLUVROML-TZMCWYRMSA-N 260.381 3.648 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2cc(C)cc(C)c2)CC1 466530348 VCPVYNUKUJBWJY-MRXNPFEDSA-N 271.404 3.806 30 20 CHED C[C@H](NC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 473432794 GWXXCFXCTYEMQE-KBPBESRZSA-N 293.370 3.872 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@H]1C=CCC1 482754448 YZEXXZJNOCADSC-HNNXBMFYSA-N 261.409 3.938 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@@H](SCC)C2)CC1 484252447 HNRFDLKJPQWJRR-HUUCEWRRSA-N 296.480 3.658 30 20 CHED COc1ccc(/C=C/c2nc3ccccc3n2CC#N)cc1 486005635 VUGGZVSDNLMKTN-DHZHZOJOSA-N 289.338 3.739 30 20 CHED C=C[C@H]1CCCCN1c1nc(C)nc2scc(C)c12 486465347 GTPORECJNRUAFD-LBPRGKRZSA-N 273.405 3.853 30 20 CHED C=CCCCCCN1CCO[C@@H](c2ccc(F)cc2)C1 486789746 UQMZQWKCHJAKLD-QGZVFWFLSA-N 277.383 3.945 30 20 CHED Cc1nc(N(C)Cc2cccc(OC(C)C)c2)ccc1C#N 488091214 RZCHHCMTCPIYLI-UHFFFAOYSA-N 295.386 3.685 30 20 CHED CCSc1cccc(CNc2nc(C)ccc2C#N)c1 488679741 XTNJHOVYXMGCOP-UHFFFAOYSA-N 283.400 3.986 30 20 CHED C[C@H]1C[C@@H](C)CN1Cc1cc(C#N)ccc1Br 492768422 IYZCJGSQBUVIIQ-MNOVXSKESA-N 293.208 3.551 30 20 CHED C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@H]1C 499827925 HQNZATZMSWOSAZ-NXEZZACHSA-N 268.282 3.669 30 20 CHED COc1ccc(C#N)cc1NCc1cc(C)cc(C)c1 500971238 FSMUKBAVQBKKEH-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1F 503635690 WUFQRFPWISSVOR-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=C(C)CCSc1nnc(-c2ccccc2C)n1C 505437407 ATNRUJFRLUDGNL-UHFFFAOYSA-N 273.405 3.849 30 20 CHED C=C(C)CCc1noc(CCCOc2cccc(C)c2)n1 508644036 AKQQKOQUFCYPSD-UHFFFAOYSA-N 286.375 3.898 30 20 CHED Cc1c(C#N)cccc1-c1nc(Cc2ccc(F)cc2)no1 511157511 ROMLKHCCYLGYMV-UHFFFAOYSA-N 293.301 3.647 30 20 CHED Cc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1F 519582299 NDCVVARZABTTAT-HNNXBMFYSA-N 260.356 3.648 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2cc3ccccc3o2)n1 523513759 ZFKFNTMCZUIZQA-UHFFFAOYSA-N 291.354 3.971 30 20 CHED COc1ccc(CCN(CCCC#N)CC(C)(C)C)cc1 523792468 YHCSWDWBGCIEHZ-UHFFFAOYSA-N 288.435 3.890 30 20 CHED Cc1ccc(CCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(C)c1 524195103 SQYHKCBKEYJNLI-HNAYVOBHSA-N 298.430 3.825 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)CC[C@H]2N(C)C 529456634 ORKRRKLSMCVOHG-MRXNPFEDSA-N 299.418 3.504 30 20 CHED N#CC1(CN[C@H]2CCc3cc(F)c(Cl)cc32)CCC1 529610471 FFQGRYKLKOFEAJ-AWEZNQCLSA-N 278.758 3.750 30 20 CHED CCC(CC)N(Cc1ccc(F)c(C#N)c1)C1CC1 531833530 ISWRWOATKODIKR-UHFFFAOYSA-N 260.356 3.850 30 20 CHED CC(C)N(CCC#N)Cc1cnc(-c2ccsc2)s1 535077434 OVVRXVVGLPNPQN-UHFFFAOYSA-N 291.445 3.996 30 20 CHED Cc1ccccc1O[C@H](C)CN[C@@H](C)c1cccc(C#N)c1 537288714 QFZLPFROHGFBAP-CVEARBPZSA-N 294.398 3.985 30 20 CHED C=CCCOCCN[C@H](CC1CC1)c1ccccc1 537949743 SWAQQLPDEMFIEL-QGZVFWFLSA-N 259.393 3.710 30 20 CHED C=CCN(C(=O)N[C@@H](c1ccccc1)C(C)C)C1CC1 540059143 UWTIAIGILBAJCY-MRXNPFEDSA-N 272.392 3.744 30 20 CHED C=CCN(C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C)C1CC1 540921563 YYRBNQYHMLTKRT-GUYCJALGSA-N 284.403 3.670 30 20 CHED C=CCOCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 549920010 YVLNHQLSGAXVDU-GOSISDBHSA-N 284.403 3.898 30 20 CHED C=CCOCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 549929661 KPKRQYRAKKJCEK-APHBMKBZSA-N 279.811 3.829 30 20 CHED C=CCC[C@@H](NC[C@H](C)CN1CCCCC1)c1ccco1 552037741 IDNLSTTXBSDGKO-DLBZAZTESA-N 290.451 3.999 30 20 CHED N#Cc1cc(N2CCC[C@H]2c2ccccc2Cl)ccn1 553276945 UNZHJMNDMFAAPC-INIZCTEOSA-N 283.762 3.948 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2ccc(C#N)cc2)n1 556360846 CMBJSCYRJPYEEQ-MDZDMXLPSA-N 279.343 3.965 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCc3ccccc31)CC2 562096279 QKYOXYKYIJWWEG-FXAWDEMLSA-N 288.394 3.865 30 20 CHED C=CCCCCCNC(=O)CC1(C(F)(F)F)CC1 563358161 VZPPPFYFQSZBAC-UHFFFAOYSA-N 263.303 3.582 30 20 CHED N#CC1(CCOc2cccn3ccnc23)CCCCC1 566476619 CVFQKSOBXGWEOB-UHFFFAOYSA-N 269.348 3.577 30 20 CHED C=CCOc1ccc(CNC(=O)CCc2ccccc2)cc1 568895510 GDHAINVRNZMXSW-UHFFFAOYSA-N 295.382 3.500 30 20 CHED CC(C)N(CC1CCC1)C(=O)c1ccc(C#N)c(Cl)c1 573054158 AJDFXRAAACBNHI-UHFFFAOYSA-N 290.794 3.862 30 20 CHED C[C@@H]1CC(N[C@H]2CCCCc3cc(C#N)ccc32)C[C@@H](C)O1 574973837 PSGONMDAXGSRIW-LPMFXHHGSA-N 298.430 3.871 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)[C@]23CCC[C@@H]2C3)cc1 576623820 DUPLRNSVWVFVGT-KDOFPFPSSA-N 298.386 3.522 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@]2(CCc3ccccc3O2)C1 576895047 ZRVPPHVELCXJJD-LJQANCHMSA-N 299.414 3.585 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)CCCCCC#N 588157960 USPBMOYRJLOHJP-LSDHHAIUSA-N 264.413 3.793 30 20 CHED CC[C@@H](C)N(C(=O)CCCCCC#N)[C@H](C)CC 588957188 MKSCPKPTPICTGQ-ZIAGYGMSSA-N 252.402 3.886 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cc2ccc(F)cc2s1 590494976 PNKJFPGBHOHUNT-UHFFFAOYSA-N 290.363 3.662 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 590673269 YRWAFNXDGGDBSX-FRFSOERESA-N 284.403 3.952 30 20 CHED COc1cccc(CC2CCN([C@H](C)CCC#N)CC2)c1 591026550 OONKYBYTIITTSK-OAHLLOKOSA-N 286.419 3.642 30 20 CHED CCc1nc2ccc(NC(=O)[C@](C)(C#N)CC)cc2s1 592685599 WPHCKQIHIVEGKY-HNNXBMFYSA-N 287.388 3.737 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 593520515 PLDDIQLSKDYVSQ-GJZGRUSLSA-N 299.418 3.862 30 20 CHED N#C[C@H]1CC[C@H](NCC2(c3ccccc3F)CCC2)C1 593643095 VSFIFYGGKPPVLD-KBPBESRZSA-N 272.367 3.529 30 20 CHED C=CCCSCCN[C@H](C)[C@H](OC)c1ccccc1 595057262 BWYHIPHQCJIKEH-ZBFHGGJFSA-N 279.449 3.662 30 20 CHED N#Cc1ccc(CCN2C3CCCC2CCC3)cc1 595328482 WBSWBHZACOPDSD-UHFFFAOYSA-N 254.377 3.508 30 20 CHED CC1(C)CCN(Cc2ccc(C#N)cn2)CC(C)(C)C1 595752893 YQLJPJSGOFUPEU-UHFFFAOYSA-N 271.408 3.601 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC([C@H]2CCCCO2)CC1 595781707 GDUFCPQLXGEZQY-DNVCBOLYSA-N 298.430 3.900 30 20 CHED N#CC1(CC(=O)N2CCC[C@@H]2c2cccnc2)CCCCC1 596700712 QJZGRJYXGMNCRS-MRXNPFEDSA-N 297.402 3.609 30 20 CHED CC1(c2ccccc2)CC(NCCc2ccc(C#N)cc2)C1 597179444 TVCDHMQPGUTYHO-UHFFFAOYSA-N 290.410 3.811 30 20 CHED Cc1sc(NC(=O)C2(C#N)CCCCC2)nc1C(C)C 597895345 WAJKUVCUTMQHFB-UHFFFAOYSA-N 291.420 3.988 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N1CCC[C@@H](CC#N)C1 597911640 ALVPGKJYDZTOLX-JKSUJKDBSA-N 276.424 3.745 30 20 CHED C=CCC1(NC(=O)CCCCSC)CCCC1 598295380 DWZZJOPWCLUVGP-UHFFFAOYSA-N 255.427 3.525 30 20 CHED C=CCC1(NC(=O)[C@@H](C#N)CCc2ccccc2)CCCC1 598297606 YLZCQXUZFHRFST-QGZVFWFLSA-N 296.414 3.764 30 20 CHED CCCN(C(=O)C1CC=CC1)c1cc(Cl)ccc1C#N 598810707 NJMLTIPWOHXHHI-UHFFFAOYSA-N 288.778 3.921 30 20 CHED C=C(C)CN1C[C@@H](c2ccccc2Cl)OC[C@@H]1C 600728854 YSAOCRAMAPSTMO-WFASDCNBSA-N 265.784 3.678 30 20 CHED N#C[C@@H](Sc1nc2ccccc2n1C(F)F)C1CC1 601074707 YVZLYTNDSJPRJG-LLVKDONJSA-N 279.315 3.826 30 20 CHED CCC(CC)n1ccc(CNc2cc(F)cc(C#N)c2)n1 601923791 NNEJFUWJMGDMDA-UHFFFAOYSA-N 286.354 3.867 30 20 CHED C[C@H](NC(=O)NC[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 604430293 UEZLLLYUEOGNBE-GRDNDAEWSA-N 299.418 3.745 30 20 CHED Cc1cccc(CCC(=O)N(CCC#N)CC(C)(C)C)c1 609191572 MJOKAVQBROPMEH-UHFFFAOYSA-N 286.419 3.716 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(CCC#N)CC(C)(C)C 609191992 WLQYZUNJZAAABK-CABCVRRESA-N 278.440 3.991 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cc1)c1ccccn1 609222960 QSXOGSVJUNOHLG-MRXNPFEDSA-N 265.360 3.584 30 20 CHED C[C@@H](NC(=O)NCC1(C)CCCCC1)c1cccc(C#N)c1 610707804 UGKVVYOZHUZSGW-CQSZACIVSA-N 299.418 3.889 30 20 CHED CC(C)C(NCCCOc1cccc(C#N)c1)C(C)C 611434061 KLINZZAQNIASRB-UHFFFAOYSA-N 274.408 3.597 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C1(C)C 611527062 PHILJIDNGHDNAU-IGCXYCKISA-N 276.424 3.669 30 20 CHED CC(C)c1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1 612244216 BGLGXMVVSPABBG-QGZVFWFLSA-N 270.376 3.576 30 20 CHED C=CCCC(=O)Nc1cc(SC)ccc1Cl 617362534 VNBKEXWUYVGEAT-UHFFFAOYSA-N 255.770 3.967 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2ccc(C)cc2C1 617604654 MYRGOXIFNPRJMB-UHFFFAOYSA-N 269.388 3.648 30 20 CHED C=CCC1(NC(=O)c2ccc(C3CC3)nc2C)CCCC1 619110279 GXFNMTCZSQUIEA-UHFFFAOYSA-N 284.403 3.886 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 619156063 PYSXEGUCYCGXFF-GXTWGEPZSA-N 277.795 3.914 30 20 CHED C[C@H](NC[C@H]1CCC2(CCCC2)O1)c1cccc(C#N)c1 619781348 GAWYRCBTMBIRRD-WMLDXEAASA-N 284.403 3.701 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 620857110 NYVZTCSZMPWVQR-GJZGRUSLSA-N 275.367 3.790 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cnc(C2CC2)o1 628312388 ZTBWQHZQFHHTFH-MRXNPFEDSA-N 282.387 3.829 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC(F)(F)CC1 637022765 IWRUXLBRLDXHLW-LBPRGKRZSA-N 274.355 3.562 30 20 CHED C=CCOCCCN[C@H](C)c1cc2ccncc2s1 658207221 SQNPAGOFTYKHML-GFCCVEGCSA-N 276.405 3.540 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H]1CCCN(CC2CC2)C1 663466482 UMFUWHSOVMESRP-AEFFLSMTSA-N 278.484 3.833 30 20 CHED C=CCCNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 665946624 QZBOHGTZJCNTCP-KRWDZBQOSA-N 284.403 3.814 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC=C)C1 669074754 JXXGUPLCFRYPLA-AWEZNQCLSA-N 288.439 3.554 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1sc2ccccc2c1Cl 701177648 UGNQKZNCMZWKHO-VIFPVBQESA-N 292.791 3.929 30 20 CHED CCCCCCCCc1nc(CC2CCNCC2)no1 720762823 MVZIIMLZKRGTCD-UHFFFAOYSA-N 279.428 3.515 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1cccc(C)c1 727255868 JQEXJLJVNYEWFW-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C/c1ccccc1O 727781525 PDSSSDKHPPGGIV-HZGBGQKMSA-N 253.345 3.832 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1csc(C)n1 727973531 PJWPFJUYSMNQTI-UHFFFAOYSA-N 290.348 3.504 30 20 CHED C#CCOc1ccc(NC(=O)N[C@H](C)CCCCC)cc1 731113569 FEGRDMVJQSRKQY-CQSZACIVSA-N 288.391 3.789 30 20 CHED Cc1ccc(C=NN=c2cc[nH]c3ccccc23)cc1F 731487463 WNMGVOMWUHSFJR-UHFFFAOYSA-N 279.318 3.550 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1nccs1 732621975 KYDZFHQSWINYFB-UHFFFAOYSA-N 283.303 3.581 30 20 CHED Oc1ccc(Cl)cc1/C=N/CC1CCSCC1 733205058 IYPIXLBKIZRAKX-OQLLNIDSSA-N 269.797 3.608 30 20 CHED CCCC[C@H](CC)C(=O)OCc1ccc(OCC#N)cc1 733452268 WKWARIGIHBDYFK-HNNXBMFYSA-N 289.375 3.849 30 20 CHED CCc1oc2ccccc2c1C=NOCC1CCOCC1 735488478 PCYUPFDGOKCZRC-UHFFFAOYSA-N 287.359 3.772 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3ccc(Cl)cn23)o1 737444529 SNTDOKDFKZHHEY-PLNGDYQASA-N 286.718 3.785 30 20 CHED Cc1cccc([C@H](C)C(=O)OCc2ccccc2C#N)c1 740348491 NGEJZUOFFRFMOQ-AWEZNQCLSA-N 279.339 3.714 30 20 CHED C=CC[C@H](NC(=O)NCCCC(C)(C)C)c1ccncc1 740480694 DIUKOZPTRJBXFG-HNNXBMFYSA-N 289.423 3.824 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@H](CC)C1)C(C)C 741091659 UGDCWCJWDTXCAB-KBPBESRZSA-N 252.402 3.561 30 20 CHED CCCCCCCCOCC(=O)N1C[C@H](C)C[C@H]1C 741695275 UTHGDQUUWSFIIC-HUUCEWRRSA-N 269.429 3.620 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)C2CCCCCCC2)C1 741696750 RLFYYICRBISSIY-WMLDXEAASA-N 276.424 3.936 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H](C)Oc2ccccc2)cc1 742860212 MDBXHLCQTOJVEN-CQSZACIVSA-N 298.338 3.624 30 20 CHED C=CCN(C(=O)[C@H](C)CCOc1ccccc1)C(C)C 744503759 HYXNDMMDSHNCFB-OAHLLOKOSA-N 275.392 3.515 30 20 CHED CCC(=NNc1c(F)cccc1F)C1CCOCC1 745204738 PMDXCPKTNMTQGB-UHFFFAOYSA-N 268.307 3.569 30 20 CHED C[C@@H](C#N)OC(=O)C[C@H](Cc1ccccc1)c1ccccc1 745351280 HEXPYLRGVMMRIQ-YJBOKZPZSA-N 293.366 3.858 30 20 CHED C#CCCCNC(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 745900063 VRBFCPUZMOLYTH-MSOLQXFVSA-N 298.430 3.686 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C1=CCCCO1 746153073 MWNWWQMOYBSJKO-CQSZACIVSA-N 267.413 3.794 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(-c2ccccc2)ns1 747546748 JSIPCMBNYSUADS-UHFFFAOYSA-N 293.779 3.684 30 20 CHED Fc1ccc(/C=C\C=NNc2cnnc3ccccc23)cc1 747750806 XVMOIRIKKPDMFO-YEYGOYOGSA-N 292.317 3.880 30 20 CHED C=CCCCC(=O)OCc1cc(C(C)=O)ccc1OCC 748234321 QHOFHEBCOJFADZ-UHFFFAOYSA-N 290.359 3.687 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1 748239157 DFFGKBCWOPOXGW-NSHDSACASA-N 295.766 3.567 30 20 CHED C=CCCCC(=O)OCc1cc(-c2ccccc2)no1 748239282 DTQLSZIVLYVHCB-UHFFFAOYSA-N 271.316 3.741 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)ccc1O 749890824 CWUCMPQIRCQTTL-DUXPYHPUSA-N 290.265 3.581 30 20 CHED C=CCN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)C 750040188 UJEARJSGOSVTCE-UHFFFAOYSA-N 281.321 3.953 30 20 CHED C/C=C(\C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 751377162 BIMFBNXADFVRDS-MFMIUCCHSA-N 270.376 3.631 30 20 CHED C=C(Cl)CN[C@@H](c1ccc(F)cc1)c1cccnc1 753680949 YSYKHQDFLZGCJV-HNNXBMFYSA-N 276.742 3.652 30 20 CHED C=CCc1cc(OC)cc(CN(CCC)CCC)c1O 754724280 TXKWSFUSQIZHRS-UHFFFAOYSA-N 277.408 3.751 30 20 CHED C(=NNc1ccccc1)c1c[nH]nc1-c1ccccc1 755462475 RJDFPEXSYHZNRV-UHFFFAOYSA-N 262.316 3.523 30 20 CHED Cc1ccccc1-c1nnc(S)n1N=CCC(C)(C)C 755562149 GXOFHZHNISJXDB-UHFFFAOYSA-N 288.420 3.812 30 20 CHED Cc1ccc(C(=O)Oc2ccc(C#N)cc2)c(Cl)c1 755743047 DWNHSSZIGODEIX-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C#CC[C@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 756996087 ODYUFUXPYOMHPS-INIZCTEOSA-N 289.300 3.958 30 20 CHED C=C[C@@H](C)NC(=O)/C=C/c1ccc2cc(OC)ccc2c1 757007174 ZAHAMXSSKWZEBK-BCRSCGJKSA-N 281.355 3.552 30 20 CHED CC(C)C1CCC(=NNc2nc(O)c3ccccc3n2)CC1 757588440 DHPXJJDOOUQIMW-UHFFFAOYSA-N 298.390 3.950 30 20 CHED Fc1ccc(/C=C\C=Nn2cnc3ccccc32)c(F)c1 758100560 STMZMAAZGODBSR-MTSIVMMLSA-N 283.281 3.862 30 20 CHED Clc1nccnc1NN=Cc1cc2ccccc2s1 758368933 CFMWGAOKSGFYAI-UHFFFAOYSA-N 288.763 3.791 30 20 CHED Cc1cc(C=NOCC(F)F)c(OC(F)F)cc1C 758899680 LERYXKKMRYQUCT-UHFFFAOYSA-N 279.233 3.520 30 20 CHED C=C(Cl)COC(=O)c1scnc1C1CCCC1 759757911 OFGKGBGMVXTRMW-UHFFFAOYSA-N 271.769 3.710 30 20 CHED Cn1cnc2cc(/C=C3\CCc4ccccc4C3=O)ccc21 761201321 PKTVRUNPZNTWRI-XNTDXEJSSA-N 288.350 3.786 30 20 CHED Oc1ccccc1/C=N/[C@H]1COc2ccc(Cl)cc21 761787325 QJDXYTUHWKDTQD-TVYFDWKESA-N 273.719 3.598 30 20 CHED CCC(CC)NN=Cc1nc2ccc(F)cc2s1 761814953 DSRKGERWEVGJJQ-UHFFFAOYSA-N 265.357 3.548 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H](CC)SC)n1 761994707 ALROVYSVCHSUMR-CYBMUJFWSA-N 288.372 3.563 30 20 CHED Cc1csc(-c2cccc(C(=O)OC3(C#N)CCC3)c2)n1 762095303 XMOGQTYEVXYNHX-UHFFFAOYSA-N 298.367 3.722 30 20 CHED CCCCCC(C)=NNc1nccc(N(CC)CC)n1 762607709 ILDUOUCDUGXNFV-UHFFFAOYSA-N 277.416 3.691 30 20 CHED C=C(C)CCOC(=O)c1cc(F)c(Cl)cc1F 764661569 DJKNZJWVQFPAET-UHFFFAOYSA-N 260.667 3.741 30 20 CHED CC(=NNc1ncnc2ccsc12)C1CCCC1 764842366 ZMJGQGVFXJXNEK-UHFFFAOYSA-N 260.366 3.669 30 20 CHED Cc1cc(C=NOCC(F)(F)F)ccc1Br 764845972 CRFMRYUSPMOVJS-UHFFFAOYSA-N 296.086 3.670 30 20 CHED Cc1cc(OC(=O)[C@@H](C)c2ccccc2F)ccc1C#N 765096017 UXAYLTZXLWJIRD-LBPRGKRZSA-N 283.302 3.715 30 20 CHED N#Cc1cccc(NC(=O)/C=C\c2ccc3[nH]ccc3c2)c1 765522034 ZMIOXRBWZIPLQR-ALCCZGGFSA-N 287.322 3.691 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@@H]1C[C@@H]1C1CC1 768038611 NDZQXKZYOYSTKK-HUUCEWRRSA-N 283.371 3.577 30 20 CHED C[C@H](C#N)CNN=Cc1ccc(F)c(-c2cccs2)c1 771108323 UDLUNTSYYLPSDD-LLVKDONJSA-N 287.363 3.637 30 20 CHED CCCCCCCCN[C@H]1CCN(CC)C[C@H]1C 772948012 DHVCHRFBBCZGDN-CVEARBPZSA-N 254.462 3.667 30 20 CHED CCc1cnccc1[C@@H](C)/N=C/c1cccc(OC)c1O 773152794 SPDKLSGPIIMMOZ-ZGXHQARYSA-N 284.359 3.538 30 20 CHED COc1cccc2cc(C=NOC3CCCC3)oc12 774603446 TZJYTFCAOZTMEX-UHFFFAOYSA-N 259.305 3.735 30 20 CHED C/C(=C\C(=O)OCC1(C#N)CC1)c1ccccc1Cl 775855516 QYQPSGKNDQUBJX-DHZHZOJOSA-N 275.735 3.590 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cc(F)c(F)c(F)c1 776189190 BWAVPFDHFLPLQF-ONEGZZNKSA-N 291.272 3.957 30 20 CHED COc1cccc(OC)c1/C=C1/Cc2cc(C)ccc2C1=O 776190256 QEDOQCXSRZNNSU-KAMYIIQDSA-N 294.350 3.835 30 20 CHED C[C@@H]1CC[C@@H](C(=O)OCc2ccccc2C(C)(C)C#N)C1 776429717 WOVGZCPNFLDYRL-ZIAGYGMSSA-N 285.387 3.967 30 20 CHED CC(CCn1cccn1)=NNc1cccc(C(F)(F)F)c1 776757959 DMTRGDBYOSYOEF-UHFFFAOYSA-N 296.296 3.780 30 20 CHED CCC(CC)(CC)CNC(=O)Cc1ccccc1CC#N 776980577 SSUZMYYGWKCTAM-UHFFFAOYSA-N 286.419 3.628 30 20 CHED COc1ccc(NN=C(C)C2CCSCC2)cc1 777443960 OXHNHBMSXBLBMP-UHFFFAOYSA-N 264.394 3.626 30 20 CHED FC(F)(F)CCON=Cc1cc2ccccc2o1 777464502 XBKBGSUSXSSDRL-UHFFFAOYSA-N 257.211 3.736 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)c1ccc[nH]1)c1ccccc1 777762626 MHECFTHWRTXMIW-DZGCQCFKSA-N 268.360 3.552 30 20 CHED COC[C@@H](C)C(C)=NNc1nc(-c2ccccc2)cs1 777879691 NJYMQRJBXNMJQW-LLVKDONJSA-N 289.404 3.880 30 20 CHED Cc1c(C(=O)/C=C\c2cc3cc(F)ccc3o2)cnn1C 778517121 HBMTXRVTZYAVPB-PLNGDYQASA-N 284.290 3.510 30 20 CHED C#CCCCCCC(=O)Nc1cccc(-c2cc[nH]n2)c1 779880156 UTKHNJJIWHJZNM-UHFFFAOYSA-N 281.359 3.599 30 20 CHED COCCC1(C=NNCc2ccc(C#N)cc2)CCCCC1 780233881 BQFXXPSHGRHWHU-UHFFFAOYSA-N 299.418 3.621 30 20 CHED Cc1cc(C=NN[C@H]2CCOC(C)(C)C2)ccc1Cl 780247897 VKJZAJNDXWPARX-ZDUSSCGKSA-N 280.799 3.530 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(C)cc(C)c1Br 781209943 ZUKKYORMXHPFQE-JTQLQIEISA-N 296.164 3.525 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1 782195355 WXXQMWWFGJIVJH-AATRIKPKSA-N 287.746 3.778 30 20 CHED N#Cc1ccccc1CSCC(=O)OC1CCCCC1 783486294 FBTDJAQTRDOETE-UHFFFAOYSA-N 289.400 3.667 30 20 CHED CCCCCCON=C(C)c1ccc(NC(C)=O)cc1 783555899 CKYCDADLQUXRJC-UHFFFAOYSA-N 276.380 3.966 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1ccc2c(c1)CCC2 785753911 MTIFIRLMXGVCOB-GOSISDBHSA-N 286.371 3.504 30 20 CHED CCS[C@H](C(=O)O[C@H](C#N)C1CCCCC1)C(C)C 785823673 ILWDVESWFREEMA-KGLIPLIRSA-N 283.437 3.780 30 20 CHED Cc1ccc(OC(=O)c2ccc(F)c(C#N)c2)c(C)c1 788127140 NRVGCHFMQIHUAG-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C#CCC1(C(=O)NCc2ccc(C)cc2)CCCCC1 788136660 QGKCBEZHJLZQNI-UHFFFAOYSA-N 269.388 3.585 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)nc2)c(Cl)c1 788360433 KKESFENIIVXIEU-GORDUTHDSA-N 286.693 3.642 30 20 CHED C#C[C@@H](C)NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 788534938 SMEUKRFABJDLGT-HUUCEWRRSA-N 293.366 3.578 30 20 CHED C[C@@H]1CCC(=NNCCc2ccncc2)c2ccccc21 789098443 YYNWQPYIZIKKJB-CQSZACIVSA-N 279.387 3.515 30 20 CHED CCN(CCCOc1ccc(C#N)cc1)c1cccc(O)c1 789456775 CUQMYOJJSAEEHH-UHFFFAOYSA-N 296.370 3.559 30 20 CHED CC[C@H](C)NN=Cc1c(C)nn(Cc2ccc(C)cc2)c1C 790189871 RQHXMZIPPHCSQG-AWEZNQCLSA-N 298.434 3.579 30 20 CHED CC(Cc1ccsc1)=NNc1cccc(F)c1[N+](=O)[O-] 790311156 XWCQXGRQTFBEPG-UHFFFAOYSA-N 293.323 3.826 30 20 CHED N#CCc1ccc(C(=O)Oc2ccc3cccnc3c2)cc1 791859421 LAMFYJNMJZQNKB-UHFFFAOYSA-N 288.306 3.520 30 20 CHED CC[C@H](C)CON=C(C)c1cc(OC)c(OC)cc1F 793146988 XDVAWKMDIDRYDL-JTQLQIEISA-N 283.343 3.630 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)[C@H](C)c1ccc(Cl)cc1 793152907 LXSOQZCNXRRXAP-STQMWFEESA-N 299.805 3.888 30 20 CHED FC(F)(F)c1cc(C=NNc2cccc(Cl)n2)c[nH]1 793163047 WKGZMFNULSHCFU-UHFFFAOYSA-N 288.660 3.528 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(F)c(F)c1 793176112 YGYNNBGRVGFZFZ-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CC(C)[C@@H]1CCCC(=NNC(=S)Nc2cccnc2)C1 794466688 CURXTXJXRQPLAU-GFCCVEGCSA-N 290.436 3.570 30 20 CHED CSCCON=Cc1ccc(-c2ccccc2F)o1 794573304 WDIDLVXRMGQSMF-UHFFFAOYSA-N 279.336 3.799 30 20 CHED c1ccc([C@@H]2CCCC2=NNC2CCCCC2)nc1 794933558 YAPYOKCNUVEZFO-AWEZNQCLSA-N 257.381 3.627 30 20 CHED CC(=NNCc1ccccc1N(C)C)c1ccc(F)cc1C 794958813 ZZZBDCCJILBDHS-UHFFFAOYSA-N 299.393 3.714 30 20 CHED CC(C)c1ccc(C=NNc2ncccc2F)cc1 794990313 LHWLCHNTHIUXRZ-UHFFFAOYSA-N 257.312 3.790 30 20 CHED Fc1cccc(NN=Cc2cc(Cl)ccc2Cl)n1 795005559 BBBCXZZLPLOEKO-UHFFFAOYSA-N 284.121 3.974 30 20 CHED COCCCON=C(CC(C)C)c1cccs1 795048412 KZPXRAULAHYJMS-UHFFFAOYSA-N 255.383 3.551 30 20 CHED C#CC[C@H](NCc1cc(C)nc(Cl)c1)c1ccccc1 797600676 CSDPJNHFWLKLDZ-INIZCTEOSA-N 284.790 3.898 30 20 CHED C#Cc1cccc(NC(=O)c2c(F)cccc2SC)c1 798369478 XVODALDIIYKNJP-UHFFFAOYSA-N 285.343 3.781 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798783788 LYUFUDAAVVIYRH-SKDRFNHKSA-N 285.265 3.654 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NNc2ccccn2)C1 799106023 SRNJXBXDZZLPOZ-AWEZNQCLSA-N 280.375 3.911 30 20 CHED Cc1ccc(NN=C2CCC[C@@H](c3ncccc3C)C2)nn1 799111456 CZFBXTQOEVEDED-CQSZACIVSA-N 295.390 3.614 30 20 CHED CCCC[C@H](CC)CNC(=O)/C=C\c1ccccc1C#N 799431616 ZBXIQNUQKJCALT-SSCKCOOKSA-N 284.403 3.904 30 20 CHED Cc1cc(COC(=O)CCCCCC#N)cs1 806023393 VTQCLOYVTCOBKV-UHFFFAOYSA-N 251.351 3.574 30 20 CHED O=C1/C(=C\c2cccs2)C[C@H](C(=O)O)c2ccccc21 806559351 ANWUHCQZKJQGID-GDAGCXPBSA-N 284.336 3.586 30 20 CHED C=C(CNC(=S)Nc1ccccc1F)c1ccccc1 806594790 QSOYJMWLLAZONJ-UHFFFAOYSA-N 286.375 3.826 30 20 CHED C=C(C)CNC(=S)N1CC[C@H](C(C)(C)C)C[C@H]1C 806605301 NGNNGWFXKAGJPB-OLZOCXBDSA-N 268.470 3.584 30 20 CHED Cc1ccc(CCC=NNc2ccc([N+](=O)[O-])cc2C)cn1 807989839 OPYHODODQJEFAO-UHFFFAOYSA-N 298.346 3.637 30 20 CHED Cl/C=C/CON=Cc1cc2ccccc2nc1Cl 811672156 RPNUTXDHGVXXJV-GLNLCZHCSA-N 281.142 3.991 30 20 CHED N#Cc1c(F)cccc1/C=C1\Cc2nc(Cl)ccc2C1=O 811693293 HJQSPRPTRYCHKF-UXBLZVDNSA-N 298.704 3.568 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](c1ccc(C)cc1)C1CC1 811997507 LJYQKBKBQLEMDQ-DLBZAZTESA-N 284.403 3.547 30 20 CHED Cn1ccnc1NN=Cc1ccc(C2CCCC2)cc1 812229513 CERKXHILJQVRFU-UHFFFAOYSA-N 268.364 3.524 30 20 CHED Fc1cccc(OC(F)(F)F)c1C=NOC1CCC1 812235149 MYJLJZUAEQTHIU-UHFFFAOYSA-N 277.217 3.627 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNCCCc1ccccc1 814838027 WDRGWWXSWHYIAM-INIZCTEOSA-N 283.419 3.915 30 20 CHED CCSc1cccc(C=NN[C@@H](C)c2ccncc2)c1 819815664 BZVAJDWZKYPKGA-ZDUSSCGKSA-N 285.416 3.878 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C\c2cccc(F)c2)c1 821023189 ZATQSUBJWMPGGN-KTKRTIGZSA-N 283.346 3.783 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc2oc(C)nc12 821900225 GJTCHSISEMKWHT-LLVKDONJSA-N 258.321 3.677 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccnc(Cl)c1F 823437638 PEELCJLCKBXQTK-UHFFFAOYSA-N 283.778 3.636 30 20 CHED C=C(C)CONC(=O)Nc1ccc(Cl)cc1SC 824290310 PLJUCNNVHHTLTP-UHFFFAOYSA-N 286.784 3.691 30 20 CHED CN(Cc1ccc(N(C)CCC#N)cc1)C[C@H]1CC1(C)C 827941093 CYNROUPLVKWAKU-MRXNPFEDSA-N 285.435 3.514 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1ccc2c(c1)CCO2 834874247 ILTMENLEPMAQJV-WAYWQWQTSA-N 286.277 3.796 30 20 CHED C=C(CC)CN[C@@H](C)c1nc(Br)cs1 834903832 UCOIUTLEPCDUGO-QMMMGPOBSA-N 275.215 3.522 30 20 CHED CCCNN=C1CC(c2ccc(Br)cc2F)C1 834941006 MOZMMICDRSBZOM-UHFFFAOYSA-N 299.187 3.821 30 20 CHED C[C@@]1(C(=O)OC[C@H](C#N)Cc2ccccc2)CC=CCC1 835210280 PKFHGQXNCRWAMU-FUHWJXTLSA-N 283.371 3.658 30 20 CHED CCC(CC)Oc1ccc(C(=O)OC[C@H](C)C#N)cc1 835239296 YAYZEIIHINCSEW-GFCCVEGCSA-N 275.348 3.570 30 20 CHED CCN(CC)Cc1ccc(NC(=O)C#CC(C)(C)C)cc1 837569957 LTQYCUYJGMEHIM-UHFFFAOYSA-N 286.419 3.516 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCc2ccc(Cl)s2)C1 839048104 LDGPNJIIGSQZRJ-WDEREUQCSA-N 297.807 3.960 30 20 CHED C[C@H]1CCc2sc(NC(=O)C(C)(C)F)c(C#N)c2[C@H]1C 839390060 CHYIXZVTHHCGTF-IUCAKERBSA-N 294.395 3.992 30 20 CHED C=CCCCCCCCNC(=O)c1cnc(C(C)=O)s1 839775194 FRRISSVUPLCIHH-UHFFFAOYSA-N 294.420 3.602 30 20 CHED C#CCCCCCC(=O)NC[C@H]1CCC[C@@H]1C1CC1 839808115 URKVNCJEYACMOT-HZPDHXFCSA-N 261.409 3.513 30 20 CHED Cc1nc(Cl)cc(N[C@@H]2CCCc3cc(C#N)ccc32)n1 842050862 ZQUKDZABKIPAFP-CQSZACIVSA-N 298.777 3.800 30 20 CHED COC(=O)Cc1ccc(NN=C[C@@H]2CCCC[C@H]2C)cc1 844605615 IDYBRYPSSRZGNT-HIFRSBDPSA-N 288.391 3.626 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)s1 849243629 LWOZQXRVCLVOJQ-SREVYHEPSA-N 272.373 3.564 30 20 CHED CC(C)(C#N)OC(=O)c1cccc(SC(F)(F)F)c1 850893825 YQCAZHAWPAXUDG-UHFFFAOYSA-N 289.278 3.757 30 20 CHED C[C@H](COC(=O)CC1(C#N)CCCCC1)CC(F)F 851089034 SOGPCONJKDUDNT-NSHDSACASA-N 273.323 3.685 30 20 CHED Cc1oc(C(C)C)nc1C(=O)O[C@@H](C)CC(C)(C)C#N 851203880 GWNZTAHXHULYFG-JTQLQIEISA-N 278.352 3.592 30 20 CHED CCO[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccccc1 851210979 XDNPMJISACORBZ-ZFWWWQNUSA-N 289.375 3.636 30 20 CHED Cc1nc(C#N)c(NN=C2CCC(=C3CCC3)CC2)o1 853292991 ONEHMRXPMWGAPW-UHFFFAOYSA-N 270.336 3.677 30 20 CHED CCc1cccc2cc(C=NNCCC(F)(F)F)oc12 853341441 PBIGNRTXBSJQLA-UHFFFAOYSA-N 284.281 3.871 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cnc(C)n1C 853347510 LNHQNOQWSFRAKE-UHFFFAOYSA-N 270.380 3.606 30 20 CHED Cc1ccnc(NN=CC2([C@@H]3CCCCO3)CCC2)c1 872356518 QVDWTEVZFIEHPN-AWEZNQCLSA-N 273.380 3.527 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(N(C)C(=O)CC)cc1 882072050 NWTVQRFDGYFZOI-UHFFFAOYSA-N 288.391 3.600 30 20 CHED N#Cc1ccccc1SCCCOC(F)(F)F 882127028 FCRYMSSOIDMVAA-UHFFFAOYSA-N 261.268 3.577 30 20 CHED Cc1c(Cl)nnc(N[C@H]2CCc3cc(C#N)ccc32)c1C 882276710 VPXZDKJTSUJIKI-AWEZNQCLSA-N 298.777 3.718 30 20 CHED CC(=O)c1c(Cl)cccc1NCC1(CC#N)CC1 882297387 ZTFSMVNMHMCTEQ-UHFFFAOYSA-N 262.740 3.648 30 20 CHED Cc1cc(C(=O)N(O)Cc2ccc(F)cc2)sc1C 901376490 VKQSEFVICDZOBV-UHFFFAOYSA-N 279.336 3.536 30 20 CHED N#CC1(CCCCS[C@H]2CCCOC2)CCC1 901532197 YHESKBGBVIWRAZ-ZDUSSCGKSA-N 253.411 3.763 30 20 CHED CCc1ccc2ccccc2c1CNC[C@@H](C#N)CCC#N 901581529 HKEYBCTUUBWEOC-OAHLLOKOSA-N 291.398 3.935 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(/C=N\CC2CCCC2)c1O 914702180 YQGHIDBSPLJLPJ-NVNXTCNLSA-N 282.727 3.563 30 20 CHED Oc1cccc(/C=N\CCc2cccc3ccccc23)c1O 915113247 SFPWXSBEQDBRJO-MOSHPQCFSA-N 291.350 3.913 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)c2c(F)cccc2F)c1 917558395 OAUMSFBTGICWLO-OVNPTBDBSA-N 291.297 3.859 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnn(C)c1CC 918397693 LCIDREKJXQZVQE-UHFFFAOYSA-N 293.455 3.805 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1[C@H](C)c1ccccc1 928388736 YTGJSCCDAXDBFM-UKRRQHHQSA-N 293.357 3.993 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1ccc(OC)c(C)c1 931873525 POAPSBHITBLBJJ-CQSZACIVSA-N 275.392 3.564 30 20 CHED Cc1ccncc1CN1CCC(c2ccc(C#N)cc2)CC1 933612018 VYSCYFDWLUHKNV-UHFFFAOYSA-N 291.398 3.641 30 20 CHED N#Cc1cccc(C#N)c1N1CCCC2(CCCC2)C1 1116798685 MCJZHOCLMFUFNF-UHFFFAOYSA-N 265.360 3.591 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1117701683 XKTOBEPMBKDXDB-GJZGRUSLSA-N 278.440 3.810 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CC)c1ccc(F)cc1 1117758286 LBFIJEIXQXQNRG-LBPRGKRZSA-N 271.282 3.604 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C)c(F)c2F)c1 1129688403 YNAQGUVVRRMWKO-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)c1cc(C#N)ccc1F 1141812167 MQZAAUAJNSOQFV-JTQLQIEISA-N 288.347 3.592 30 20 CHED C[C@@H](Nc1cncc(C#N)n1)c1ccc(Cl)c(Cl)c1 1163231302 DHLVDMIWZRDAGL-MRVPVSSYSA-N 293.157 3.828 30 20 CHED N#Cc1ncccc1SCc1ncc(Cl)cc1Cl 1166183025 PYHYCKCGYQMGJZ-UHFFFAOYSA-N 296.182 3.947 30 20 CHED CC(C)[C@@H](CO)[C@H](NCCC1(C#N)CCCCC1)C(C)C 1170443247 NSZSTEDLBXFEQT-IAGOWNOFSA-N 294.483 3.729 30 20 CHED N#Cc1cccc(C(=O)Nc2ccn(C3CCCCC3)n2)c1 1255902618 VOBQWXHQEMGLNH-UHFFFAOYSA-N 294.358 3.512 30 20 CHED C=C(C)CCC(=O)NCc1ccccc1CN(CC)CC 1262580439 QWJQFQBNQBOTHV-UHFFFAOYSA-N 288.435 3.501 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)CCCCOC)c1cccs1 1263525033 YKDSFQANJLVBQC-WFASDCNBSA-N 295.404 3.699 30 20 CHED CON=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1317785734 VILASDNYTSJKPE-UHFFFAOYSA-N 275.735 3.899 30 20 CHED C=CCN(C(=O)Nc1nc2c(s1)C[C@H](C)CC2)C(C)C 1318012698 HRPHKVSBSFONFO-LLVKDONJSA-N 293.436 3.696 30 20 CHED C=CCCCCNC(=O)c1cc(C)nc2cc(F)ccc12 1320354512 DERGMGGMNUFARC-UHFFFAOYSA-N 286.350 3.768 30 20 CHED Cn1cc(-c2ccc(C=NNc3ccccc3)cc2)cn1 1321099184 BWHIUYQYWXQZJJ-UHFFFAOYSA-N 276.343 3.533 30 20 CHED C=C[C@H](COC)NC(=O)c1ccc2c(c1)oc1ccccc12 1323056929 LINQLUBASHXCFN-CYBMUJFWSA-N 295.338 3.517 30 20 CHED N#Cc1cccc(CSCc2cn3ccccc3n2)c1F 1323425417 NPPRRQIPVOFJQF-UHFFFAOYSA-N 297.358 3.778 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(C)c(Cl)c2)[C@@H]1SC 1325250675 RJQVSGSDXRIHDI-KGLIPLIRSA-N 298.839 3.957 30 20 CHED C[C@@H]1CC(=NNc2ccn(C)n2)C[C@H](c2ccccc2)C1 1326241968 OLGIJYYDFNVUNH-DZGCQCFKSA-N 282.391 3.792 30 20 CHED C#C[C@@](C)(CC)NCc1cnc(-c2ccccc2)s1 1333604284 GFRBQMQOKYJKAQ-INIZCTEOSA-N 270.401 3.702 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(C)nc(Cl)c1 1336219849 XJUGYCSTWYNYOW-ZDUSSCGKSA-N 278.783 3.614 30 20 CHED C[C@H](Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 1341531243 JIVWMIRILONTQQ-CYBMUJFWSA-N 289.338 3.954 30 20 CHED COc1ccnc(CSCc2cc(F)ccc2C#N)c1 1342675825 QLWWMKZENNSQGO-UHFFFAOYSA-N 288.347 3.534 30 20 CHED C=CCn1cnnc1SC/C=C\c1ccc(Cl)cc1 1343406158 SSYRCNDBVWHJHV-ARJAWSKDSA-N 291.807 3.923 30 20 CHED C[C@H]1Cc2cc(/C=C3\CCc4ncccc4C3=O)ccc2O1 1343414368 FAFJIDQNXHAOIP-LQELWAHVSA-N 291.350 3.618 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@]23CCC[C@@H]2C3)n1 1344342736 MDVNQQHYTHLPFD-UEKVPHQBSA-N 274.389 3.633 30 20 CHED C=C[C@@H](C(=O)N(C)C1CCC(F)(F)CC1)c1ccccc1 1346984172 MYBULMCANQZQBF-OAHLLOKOSA-N 293.357 3.993 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1ccc(C#N)cc1F 1350327120 ARKPOAOGPIRXFU-UHFFFAOYSA-N 288.709 3.912 30 20 CHED COc1cc(Nc2nc(C#N)c(Cl)s2)ccc1F 1458323245 PUYJMYPMKXGZDF-UHFFFAOYSA-N 283.715 3.559 30 20 CHED CC[C@H](CSC)N(C)CCC1(C#N)CCCCC1 1459824713 DWKYEDYUOFSMPE-CQSZACIVSA-N 268.470 3.924 30 20 CHED Cc1c(Cl)cnc(NC[C@@H]2C[C@H]3CC[C@H]2C3)c1C#N 1472757862 YCOVCIZMLDJCQD-SRVKXCTJSA-N 275.783 3.763 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1nc(Cl)cs1 1474387458 OVTXFBSXGDDIQM-VIFPVBQESA-N 293.779 3.699 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(CCC)CC1CC1 1507853010 AZVFQDVBUABQRI-UHFFFAOYSA-N 296.846 3.780 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1oc(C2CC2)nc1C(F)F 1518103699 PUFFRSOEOGSNRC-JTQLQIEISA-N 296.317 3.670 30 20 CHED CCN(C(=O)c1ncc(C#N)cc1C)c1ccccc1Cl 1519212304 NFMSBWSRCHNBGE-UHFFFAOYSA-N 299.761 3.582 30 20 CHED CCC[C@@H](CC)C(=O)O[C@H](C)c1ccc(C#N)cc1 1524303465 YITRBWPNSJRCEQ-TZMCWYRMSA-N 259.349 3.989 30 20 CHED CCn1c(C(=O)O[C@H]2CC[C@H](C#N)C2)cc2ccccc21 1524711606 GSNAIRBKOSZVNO-JSGCOSHPSA-N 282.343 3.510 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)CC2)cc1C#N 1529276549 NZIBPZGBXONEKP-BLLLJJGKSA-N 270.376 3.565 30 20 CHED Cc1cc(N(CCc2ccc(F)cc2)C2CC2)ncc1C#N 1559139134 MNNCPLQWHONYQJ-UHFFFAOYSA-N 295.361 3.612 30 20 CHED CCC1(C(=O)Nc2ccc(C#N)c(F)c2)CCCCC1 1583076131 VRLAEFDEGFFMGL-UHFFFAOYSA-N 274.339 3.996 30 20 CHED CCCCc1ccc(Nc2ccc(C(=O)O)nc2C#N)cc1 1595797089 SSPGUOCMVZEVFN-UHFFFAOYSA-N 295.342 3.738 30 20 CHED O=C(O)c1cccc(Cl)c1CON=Cc1cccs1 1602442155 BQLUMFAGKRCPDD-UHFFFAOYSA-N 295.747 3.650 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(C(=O)O)cs2)cc1C 1607768148 KJUVZWMVQGJLIU-AATRIKPKSA-N 286.352 3.959 30 20 CHED N#Cc1cc(-c2ccc(C3CC(C(=O)O)C3)cc2)ccc1O 1608195006 BNJVVXXHSFSADA-UHFFFAOYSA-N 293.322 3.509 30 20 CHED N#Cc1ccc(S[C@H](C#N)CCc2ccccc2)nc1 1613472881 OJAQLXJPJBWEJB-HNNXBMFYSA-N 279.368 3.570 30 20 CHED CC[C@@H](C)Oc1cc(Nc2cccc(CC#N)c2)nc(C)n1 1639924161 HOFXEDZYGLHTMD-GFCCVEGCSA-N 296.374 3.772 30 20 CHED N#Cc1cnc(N[C@@H]2CCC[C@H](C3CC3)C2)c(Cl)c1 1642827122 KLDAXZBGTXSVCY-QWHCGFSZSA-N 275.783 3.987 30 20 CHED CCS[C@@H]1CCC[C@H]1NCc1ccc(Cl)cc1C#N 1645559131 WWGJSWOHRPLTTG-HUUCEWRRSA-N 294.851 3.975 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NCc2cccc(C#N)c2)C1 1646205511 XHKYZNDRHSNAGJ-ZQIUZPCESA-N 256.393 3.863 30 20 CHED Cc1ccc(C#N)c(Oc2ccc3cnccc3c2)n1 1651432336 JOKYTESESSLIND-UHFFFAOYSA-N 261.284 3.602 30 20 CHED Cc1ccccc1NC(=O)Nc1nc(Cl)c(C#N)s1 1672680448 OCERKRVNFNPHRV-UHFFFAOYSA-N 292.751 3.621 30 20 CHED Cc1cccc(C(=O)/C=C/c2cccc(C(=O)O)c2F)c1 1776127264 NETVIFZTFUTZTL-CMDGGOBGSA-N 284.286 3.728 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@H](CC)c2ccc(F)cc2)C1 1776158081 NHCPNJZIXHEOPT-WBVHZDCISA-N 291.366 3.630 30 20 CHED Cc1ccc(C[C@@H]2CCCN(c3ccc(C#N)cn3)C2)cc1 50953078 KKUYDPAHPAYYIL-KRWDZBQOSA-N 291.398 3.721 30 20 CHED C=CCOc1ccc(C(=O)N(CC)Cc2ccoc2)cc1 102284685 KZAYYXRYUXEBAC-UHFFFAOYSA-N 285.343 3.507 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)c1)c1cc(F)ccc1F 56278606 BYUMYPDSWIPXQF-SNVBAGLBSA-N 287.265 3.754 30 20 CHED C=C(C)CN(CC)Cc1cccc(OC(F)F)c1 51554511 HFEXTXZMXAGBGC-UHFFFAOYSA-N 255.308 3.686 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3cc(C)ccc3o2)c1 103029964 OZPOZUTWJJDPAD-UHFFFAOYSA-N 289.334 3.999 30 20 CHED Cc1cc(C)cc(NC(=O)c2cccc(CC#N)c2)c1 42200292 ZCCFHODQZOXWFF-UHFFFAOYSA-N 264.328 3.622 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(C)c2C)cc1O 114992147 KSWZMFUVGNQYNZ-VQHVLOKHSA-N 282.339 3.914 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 111944545 NYFWMVHNPXRSGR-GOEBONIOSA-N 296.395 3.829 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccc(Cl)c(Cl)c1 66294081 SNKKCCQWVCFTDT-HNNXBMFYSA-N 283.607 3.995 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc2[nH]ccc12 50436677 PQYLQVUWPAWNRN-UHFFFAOYSA-N 275.311 3.600 30 20 CHED C=CCCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 66394540 WYHIYFPAJUJYTJ-NSHDSACASA-N 283.158 3.640 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 465989048 AFYQDZHGYHQZIW-LBPRGKRZSA-N 271.364 3.649 30 20 CHED C#CCCCCC(=O)NCCc1ccc2ccccc2c1 179743220 VVAJLEZOIPLLCI-UHFFFAOYSA-N 279.383 3.692 30 20 CHED CC(C)C1(C)CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 302343971 AOXJECRWZMRWTJ-UHFFFAOYSA-N 287.363 3.729 30 20 CHED N#Cc1ccc(NCc2cc3ccccc3[nH]2)c(F)c1 301138341 FHSVOTNPOXTWRO-UHFFFAOYSA-N 265.291 3.791 30 20 CHED CC(C)N(C(=O)[C@H](C)Sc1cccc(C#N)c1)C(C)C 177100239 VKNMZAATNUTUJP-ZDUSSCGKSA-N 290.432 3.684 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 175099506 ACYCJZZRMHOREK-CJNGLKHVSA-N 294.354 3.749 30 20 CHED N#Cc1ccc(Nc2ccc(Nc3ccccc3)nc2)nc1 301195742 UEMKJCZIWJLGRQ-UHFFFAOYSA-N 287.326 3.835 30 20 CHED Cc1c(C(=O)N[C@@H](C)CC#N)oc2c1ccc1ccccc12 64346252 CKTQEWZCYKYRGZ-NSHDSACASA-N 292.338 3.926 30 20 CHED CC[C@H](C#N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68768388 NTLNDSLTEOVRCU-MXWKQRLJSA-N 297.185 3.515 30 20 CHED C=CCCN[C@H](C)c1ccc(OCC(F)(F)F)cc1 180952080 KEAUQHCWGCLHKQ-LLVKDONJSA-N 273.298 3.854 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1c1ncccc1C#N 302215475 HKIYMLMMWIOLOE-GOSISDBHSA-N 277.371 3.555 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)NCCCCC#N 178645655 HEOHSCLQLDAELC-INIZCTEOSA-N 262.372 3.676 30 20 CHED CN(CCc1cccc2ccccc12)C[C@H](C#N)CCC#N 112560162 WIJSKHMIXNTKIF-INIZCTEOSA-N 291.398 3.758 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Cl)ccc1Cl 116854572 QHUJNTUTRHOQTQ-QMMMGPOBSA-N 258.148 3.688 30 20 CHED C[C@H](CCc1cccn1C)Nc1cc(Cl)ccc1C#N 301426413 DSIZPITVHNULOY-GFCCVEGCSA-N 287.794 3.983 30 20 CHED C=C(C)CNc1nc(C)c(C(=O)Nc2ccccc2)s1 66938800 KVQUAKIKVMRKEH-UHFFFAOYSA-N 287.388 3.692 30 20 CHED Cc1ccc(N/C(N)=N\CC2(CC(C)C)CC2)cc1 305012486 KWYRCZPBTUYHSU-UHFFFAOYSA-N 259.397 3.548 30 20 CHED CC[C@@H]1CCCCN1CCNc1ccc(C#N)c(Cl)c1 303573249 JGPVPPWDYKYOQG-OAHLLOKOSA-N 291.826 3.888 30 20 CHED C=C(Cl)CN(CC(C)C)C[C@@H](O)c1ccc(F)cc1 303869038 HQBKULNHEJOADL-OAHLLOKOSA-N 285.790 3.570 30 20 CHED C=C(Br)CN[C@H](Cc1ccccc1)C1CC1 125013256 ISVKLVQIWLLCLF-CQSZACIVSA-N 280.209 3.506 30 20 CHED C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)c2ccccc21 506522898 BCJCVFPOAMXGGD-NSHDSACASA-N 296.757 3.976 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CCCC(F)(F)F 356004535 GLJMMKKRSUGSNC-UHFFFAOYSA-N 278.318 3.507 30 20 CHED Cc1cnc(C(C)(C)NCc2ccc(C#N)cc2C)s1 186329334 BISHBNNTYWFVPB-UHFFFAOYSA-N 285.416 3.657 30 20 CHED CC(C)c1cccc2c1CCN(c1ncc(C#N)cc1F)C2 413259630 IHEGMEYIFUVEPP-UHFFFAOYSA-N 295.361 3.778 30 20 CHED N#CCCCCSc1n[nH]c(-c2cc(F)cc(F)c2)n1 122779278 SXCGMDXZYHNFNX-UHFFFAOYSA-N 294.330 3.536 30 20 CHED CCC(C)(C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 73080937 LJQNXXBZFWTPLG-ZDUSSCGKSA-N 278.783 3.847 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cc(F)cc(F)c1 181118136 FXGFIZXNGNOCBK-NSHDSACASA-N 288.297 3.868 30 20 CHED N#CCCCN1CCC[C@H]1c1ccccc1Br 126013542 KQONOOYUMMZPLJ-AWEZNQCLSA-N 293.208 3.890 30 20 CHED CC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 78492654 ZPAWIZZXECFOIB-VHSXEESVSA-N 276.405 3.729 30 20 CHED C[C@H](CCC#N)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 411767714 OJJZRMIEEYXESX-IAQYHMDHSA-N 282.309 3.528 30 20 CHED N#Cc1ccc(NCc2cc3ccccc3s2)cn1 337669441 OSECOTJLEVNVBQ-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C 410200896 BKSLABPNBVFOBG-HNNXBMFYSA-N 278.371 3.740 30 20 CHED CC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(C)cc1 126662304 BHXAKZPHGWOMAW-RTBURBONSA-N 294.398 3.641 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(C#N)cc2)s1 185457841 NWNQWMFBTVTNIZ-UHFFFAOYSA-N 270.357 3.995 30 20 CHED CC(C)(C)N1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 181574515 LQWUZGDGXQHPMZ-SFHVURJKSA-N 299.462 3.884 30 20 CHED CC[C@H](OC(=O)C1(C#N)CCCC1)c1ccccc1 182036867 QNYQVURUZZWGSN-AWEZNQCLSA-N 257.333 3.765 30 20 CHED O=C(C#Cc1ccccc1)N1CCC(c2ccsc2)CC1 187994123 DGLHYAPZNMPXAP-UHFFFAOYSA-N 295.407 3.506 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1cnoc1C 128185167 ZCLBSOSPTAUODU-UHFFFAOYSA-N 282.796 3.886 30 20 CHED C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 122774439 GUBYZDYZPHHFDN-ZQIUZPCESA-N 299.418 3.839 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N(C)[C@H](C)C#N 410885963 YEECLRXLKPYQLH-HIFRSBDPSA-N 264.413 3.744 30 20 CHED CC(C)C(C)(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416114104 XZCANMURXJYIRB-MRXNPFEDSA-N 284.403 3.734 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc3ncsc3c2)C1 185891096 NPFMFBKCWCYKPH-GHMZBOCLSA-N 257.362 3.791 30 20 CHED CC[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@H]1CC1(C)C 416744868 YQLAKHUQCUOGDD-CVEARBPZSA-N 299.418 3.524 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(O[C@H](C)CC)cc1 410825368 FVJFAWRRIRITHD-UKRRQHHQSA-N 288.391 3.628 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(C(C)C)on1 412837169 HISRHFVOUHNUED-OAHLLOKOSA-N 298.386 3.715 30 20 CHED C[C@@H](CC1CC1)NC(=O)N[C@H](CCC#N)c1ccccc1 132869996 MJEXKCBYAUMYAE-XJKSGUPXSA-N 285.391 3.519 30 20 CHED N#C[C@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1 49904448 GCVKHEPLJRMNFH-INIZCTEOSA-N 298.773 3.654 30 20 CHED Cc1cc(CN[C@H]2CCCc3occc32)ccc1C#N 336314662 VGGGNWMXZRGWHS-INIZCTEOSA-N 266.344 3.627 30 20 CHED C[C@@H](NC(=O)CC#N)c1ccc(Oc2ccccc2)c(F)c1 132257144 CBHVSQRQEWYDNW-GFCCVEGCSA-N 298.317 3.709 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCc1ccccc1 45935101 ROXMZRVTTDVAPB-UHFFFAOYSA-N 279.383 3.834 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cc2ccccc2s1 528199873 YQKDZGXMUNJRRP-UHFFFAOYSA-N 286.400 3.847 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(NCC(F)(F)F)c1 425284720 QWOLEYLPMAVIBH-CYBMUJFWSA-N 299.296 3.539 30 20 CHED C#Cc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 130431739 BNNFSNBHVMGCGA-CQSZACIVSA-N 276.339 3.571 30 20 CHED Cc1cc(NC(=O)/C=C/c2ccccc2C#N)cnc1Cl 85309992 LVOBWOYMIAPPCR-VOTSOKGWSA-N 297.745 3.567 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1sccc1C#N 459854759 HHBXCHVLVAKDEG-JTQLQIEISA-N 250.367 3.631 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)Cc2ccc3n[nH]cc3c2)C1 329999088 UDCXDYKFJATMMG-RISCZKNCSA-N 271.364 3.641 30 20 CHED C#CCOc1ccccc1CNCc1ccc(CC)cc1 223991660 CQLHNCUEZWXKGE-UHFFFAOYSA-N 279.383 3.551 30 20 CHED C=CCC[C@@H](CCC)NC[C@@]1(C)C[C@H]2CC[C@H]1O2 424284671 CYAUDQRXRCKEQZ-KLHDSHLOSA-N 251.414 3.669 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CCC1 190294156 PCKDJNBIZSDGJP-IAGOWNOFSA-N 299.414 3.769 30 20 CHED O/C(=N/C[C@H]1CC=CCC1)Nc1scnc1C1CC1 328951881 XKIRKOSUJZIMAL-JTQLQIEISA-N 277.393 3.703 30 20 CHED CC(C)n1ncc2ccc(N=C(O)N3C[C@H]4CCC[C@@H]43)cc21 329926286 KORWWVXBGJUQGV-HIFRSBDPSA-N 298.390 3.647 30 20 CHED CCC[C@@H](C)CC(=O)Nc1ccc(C#N)c(C#N)c1C 421564397 YZHKIFYBACMWFL-LLVKDONJSA-N 269.348 3.503 30 20 CHED C=CCCc1noc([C@@H]2CC(C)(C)Oc3ccccc32)n1 420500712 HAZIONQBRPRWEH-CYBMUJFWSA-N 284.359 3.881 30 20 CHED CC[C@H](CC(=O)N(CCC#N)C(C)C)c1ccccc1 517769426 QMQGTSBFNGKXLA-OAHLLOKOSA-N 272.392 3.721 30 20 CHED N#CCC1(COc2ccc(Br)cc2F)CC1 88272103 OWCWXKLOZHILEY-UHFFFAOYSA-N 284.128 3.661 30 20 CHED C[C@@]1(/N=C(/O)CCc2ccc3[nH]ccc3c2)CCCOC1 329216354 OIPPTGUAIRLEHJ-QGZVFWFLSA-N 286.375 3.626 30 20 CHED N#Cc1cccc2c1CCN2C(=O)C(C1CCC1)C1CCC1 421660024 ZZZWHBJFEHFPID-UHFFFAOYSA-N 294.398 3.664 30 20 CHED O/C(=N/[C@H]1CCOc2ccccc21)c1ccnc(C2CC2)c1 329485235 XBALJMXDCPTGRP-HNNXBMFYSA-N 294.354 3.787 30 20 CHED N#C[C@H](C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccn1 225655874 HPXCWXKHVBXDDA-TUAOUCFPSA-N 296.292 3.627 30 20 CHED CC(C)=CCC[C@@H](C)CCN(CCC#N)CCC#N 193308211 GMKNUFYGEFXUDK-MRXNPFEDSA-N 261.413 3.888 30 20 CHED CCCCCCCCn1ccnc1[C@H](O)c1ccco1 190136322 ZRTPFQHTZLTKSG-OAHLLOKOSA-N 276.380 3.918 30 20 CHED C#CCCCC(=O)N[C@@H](CC)C(C)(C)c1ccccc1 192346930 YAUNKKZHXOFZLS-INIZCTEOSA-N 271.404 3.663 30 20 CHED N#CCc1ccccc1NC(=O)c1cccc(Cl)c1F 334389229 RSNCSEYITDXXMJ-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1csc(NC(=O)[C@H](C)c2ccsc2)c1C#N 335142125 PLOUEXGPYROKRE-SECBINFHSA-N 276.386 3.732 30 20 CHED C=C(C)COc1cccc(NC(=O)C2(OC)CCCC2)c1 516371213 KMSFDHVQEQBAFO-UHFFFAOYSA-N 289.375 3.539 30 20 CHED CCC(CC)N(C(=O)c1cccc(CC#N)c1)C1CC1 517452306 AROAIEJGEFQJBV-UHFFFAOYSA-N 270.376 3.546 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc(CC#N)c1 334739800 GZWKEHYVXPSUPI-CZUORRHYSA-N 285.391 3.795 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(Oc2cnccn2)cc1 426570386 KOVOVVOXYWJODQ-MRXNPFEDSA-N 295.386 3.809 30 20 CHED COC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(C)C 514982644 HCEAEBHBJBJMEF-QZTJIDSGSA-N 286.419 3.586 30 20 CHED N#Cc1cccc(C2(C(=O)Nc3cc(F)ccc3F)CC2)c1 335699054 QWBGRQUDQMLSFB-UHFFFAOYSA-N 298.292 3.507 30 20 CHED Cn1c(N=C(O)[C@H]2C[C@H]2C2CCCCC2)nc2cccnc21 330315210 YMVIUKVKKYYEGB-STQMWFEESA-N 298.390 3.773 30 20 CHED CC(C)Oc1cc(/C(O)=N/C2CCCCC2)ccn1 330973964 NSWJKAQWNQXNRA-UHFFFAOYSA-N 262.353 3.506 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1cccc(Cl)c1Cl 518476714 OABVKYCIZFXROS-QMMMGPOBSA-N 286.162 3.617 30 20 CHED CC1(C#N)CCC(NC2(c3cccc(F)c3)CC2)CC1 334656718 ZJSGKNXTZQDDMN-UHFFFAOYSA-N 272.367 3.877 30 20 CHED CCC1CCC(N(C)C(=O)c2cccc(C#N)c2C)CC1 337908457 WJUSLSGAIIOPEH-UHFFFAOYSA-N 284.403 3.908 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 435086606 NGDDGLWESSOAHG-HALDLXJZSA-N 296.414 3.531 30 20 CHED C=CC[C@@H](C)NCc1ccc(N(C)c2ccccc2)nc1 435785425 OISXJCZQSGSLDT-OAHLLOKOSA-N 281.403 3.904 30 20 CHED CCc1ccc(C2=CCN(C[C@@H](C#N)CCC#N)CC2)cc1 93262968 UAZBWETVBYCPIF-QGZVFWFLSA-N 293.414 3.782 30 20 CHED Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc(C)c1F 434014982 HCXLTYVGFBGULH-AWEZNQCLSA-N 288.366 3.597 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(CC)cc1 436286180 RQXDLFWUGZJPRK-WBAXXEDZSA-N 273.420 3.881 30 20 CHED C[C@H]1CCC[C@@H](C)N(CCCC2(C#N)CCOCC2)C1 337197377 XAVDCYBQQMMICG-JKSUJKDBSA-N 278.440 3.597 30 20 CHED CC(C)(C)OCCCCn1nc(C#N)c2ccccc21 432475190 FSPDJDMHDLGOFQ-UHFFFAOYSA-N 271.364 3.503 30 20 CHED C[C@@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccc(C#N)cc1 431438053 GLOGKJDZVOWOJI-MIOCFURKSA-N 282.387 3.562 30 20 CHED CCC[C@]1(C)CCCN(c2nc(C)ccc2C#N)C1 346814602 JRCLJBOQGFILMY-MRXNPFEDSA-N 257.381 3.668 30 20 CHED C=CCCN(C)[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 342765567 PMXUBTAHGVKESY-RDJZCZTQSA-N 288.435 3.540 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)CCCOC)CCCC1(C)C 347441875 LTXWDHLMQXOCBZ-CABCVRRESA-N 281.440 3.642 30 20 CHED C=CCSCCNCc1cccc(SCC)c1 349561460 AEKBCXOUMURMGG-UHFFFAOYSA-N 267.463 3.807 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(-n2cccn2)cc1 248893347 SXACRZXZJIOVKV-UXLLHSPISA-N 294.402 3.605 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)C(C#N)(CC)CC 529442165 KNOBOGPIPZGMCJ-KGLIPLIRSA-N 264.413 3.649 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCc2c(C)cccc21 527487310 AXFOFKIALMNVBZ-NVXWUHKLSA-N 257.377 3.701 30 20 CHED C[C@H](C#N)Oc1ccc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 248373319 HYCQNNPASQMFRF-QXGSTGNESA-N 298.430 3.988 30 20 CHED N#CCOc1ccccc1C(=O)O[C@@H]1CC[C@H]2CCC[C@H]2C1 248674102 CFVWEUZPPVWUFM-QLFBSQMISA-N 299.370 3.715 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccccc1F)C1CC1 602437036 QNCNWGZHBUNTRE-ZDUSSCGKSA-N 260.356 3.730 30 20 CHED COc1ccc(/C=C/c2ccncc2C#N)cc1Cl 349113153 QMHVNVUVJVKWFN-DUXPYHPUSA-N 270.719 3.786 30 20 CHED C=CCCN(C)C(=O)c1ccc(CSCC)cc1 341942165 CJVVXQSHEQEMBZ-UHFFFAOYSA-N 263.406 3.588 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)CCC(C)(F)F 604342513 IVRRPHUTHYOMRK-UHFFFAOYSA-N 296.317 3.719 30 20 CHED Cc1ccnc(N2CCC=C(c3ccccc3)C2)c1C#N 343165421 ZONGBCXYIVCMPJ-UHFFFAOYSA-N 275.355 3.555 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)CCO1 540039109 AUTKVFANRSUWKJ-DZGCQCFKSA-N 278.783 3.827 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc2c1CCCC2 604903885 QPAGIIQLAFGROB-GFCCVEGCSA-N 258.365 3.652 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(OCC2CCCC2)CC1 342398812 QWWZFWMCAIEVHZ-UHFFFAOYSA-N 293.451 3.787 30 20 CHED Cc1csc(NC(=O)c2ccc3ccccc3n2)c1C#N 344888485 GRHVQYQMTGQTDC-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC1(CCNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 348449976 ONOPVJFOQHHSEQ-UHFFFAOYSA-N 277.755 3.523 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(C#N)c1C 431693080 BVYCLLFLKLXQSC-SWLSCSKDSA-N 271.364 3.567 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc(C2CC2)nc2ccccc12 524233791 YVEYRBBWXPTCOA-SFHVURJKSA-N 293.370 3.534 30 20 CHED Cc1nn(C)cc1/C=C1\COc2ccc(C(C)C)cc2C1=O 255562925 PJOOPVQOUMHVTP-VIZOYTHASA-N 296.370 3.511 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(CC#N)cc2)C1 544142657 BSWUUOGUVIEUKK-KRWDZBQOSA-N 256.393 3.765 30 20 CHED CN(Cc1cc(C#N)ccc1F)Cc1cccc2cc[nH]c12 342738751 JAIWRGUSCPOSJB-UHFFFAOYSA-N 293.345 3.811 30 20 CHED CC#CCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 525120417 VEKAXTXNJZPQDZ-UHFFFAOYSA-N 267.294 3.693 30 20 CHED CCOC(=O)c1ccc(NCc2ccc(C#N)c(C)c2)cc1 446902215 KCATWODGCVDAAR-UHFFFAOYSA-N 294.354 3.656 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1 349507327 MSIUCSKLNACFQT-UHFFFAOYSA-N 296.301 3.542 30 20 CHED C=CCCN(C)C(=O)Nc1ccnc(Oc2ccccc2)c1 341973778 WLIIZZOJIYDQJO-UHFFFAOYSA-N 297.358 3.914 30 20 CHED N#Cc1cc(NC(=O)C2CCCCCC2)ccc1F 53714610 BQQZKPKVFMPGTD-UHFFFAOYSA-N 260.312 3.606 30 20 CHED C=CCCOCC(=O)Nc1cccc(NC2CCCC2)c1 605180823 WULNTDVWVDWPCV-UHFFFAOYSA-N 288.391 3.572 30 20 CHED Cc1cc(CNCCc2sccc2C)ccc1C#N 443993022 ICIURIAPRWKTOW-UHFFFAOYSA-N 270.401 3.569 30 20 CHED C=C1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 354132382 WISUBPHOYIIWSR-UHFFFAOYSA-N 294.398 3.839 30 20 CHED N#Cc1cccnc1/C=C\c1cnc(-c2ccco2)s1 352008460 PRQPSQFOKCCESP-WAYWQWQTSA-N 279.324 3.840 30 20 CHED N#CCCCCSCc1cc(Cl)c2c(c1)OCO2 531945568 DUDWHOGCOGERPX-UHFFFAOYSA-N 283.780 3.996 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1 263674062 MVVFDPXPBDDRCD-LBPRGKRZSA-N 273.380 3.607 30 20 CHED CCC(CC)n1ccc(CN(C)Cc2cccc(C#N)c2)n1 269740926 YZKIRRZVHOTYEI-UHFFFAOYSA-N 296.418 3.748 30 20 CHED C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1CCC#N 446735084 INLJFMIQZFFVTC-SECBINFHSA-N 269.175 3.826 30 20 CHED C[C@@H](C#N)C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 534463270 DUSJMASIBKUKJS-ZDUSSCGKSA-N 286.419 3.538 30 20 CHED C=CCC[C@@H](NCC1([C@H](C)CCO)CCC1)C1CC1 537309217 ZGBBEAVLBCDXQN-GDBMZVCRSA-N 265.441 3.510 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N 448270207 DFGNOBAGIFJQDI-ZJPYXAASSA-N 290.451 3.740 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)Nc1cc(CC#N)ccn1 532784842 MSDUUWBNJPETDE-CQSZACIVSA-N 285.391 3.693 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCCSC2)CCCC1(C)C 356160582 IALNYAVNWNAOOK-KBPBESRZSA-N 281.465 3.723 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1cccc(C#N)c1 610400252 QVOSXYXWAAFEQG-XJIUQZFPSA-N 299.418 3.743 30 20 CHED C=CC(C)(C)C(=O)N(CC)Cc1ccc(Cl)s1 448633784 HVAJNZLQWXJILZ-UHFFFAOYSA-N 271.813 3.962 30 20 CHED C=C1CCN(C(=O)c2ccc(O[C@@H](C)CC)cc2)CC1 267450657 YNRCHBAFGZPPBF-AWEZNQCLSA-N 273.376 3.656 30 20 CHED N#Cc1cccc(CNc2ccc3c(cnn3C(F)F)c2)c1 610957248 JBJKZWVZKOWPOG-UHFFFAOYSA-N 298.296 3.915 30 20 CHED C/C=C\c1ccc(NC(=O)NCCCCC#N)cc1 353282015 BIGSZROMPLAQGI-KXFIGUGUSA-N 257.337 3.535 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@@](C)(C#N)C2)CC1 612243551 VNSVTJLKUYDFTM-ZOBUZTSGSA-N 276.424 3.601 30 20 CHED C=C(C)CCN1CCC[C@@H](Oc2ccccc2OC)C1 353267797 OVDUZNCABQNPNT-OAHLLOKOSA-N 275.392 3.505 30 20 CHED CC[C@@H](C)[C@H](C)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455013733 YGDPZAQFBISDBH-KGLIPLIRSA-N 286.419 3.678 30 20 CHED CCN(Cc1c(C)cccc1Cl)C[C@@H](C)C#N 450331088 VGEVQBJHXNPZLM-NSHDSACASA-N 250.773 3.630 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)o1 618741226 CAVJJAWAEKQISP-AWEZNQCLSA-N 272.735 3.582 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@](C)(C#N)C1 612120886 VHDIMWLDGGCHQN-INMHGKMJSA-N 291.439 3.681 30 20 CHED C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(C(C)C)c(Cl)c1 452933477 BTUCDCGWNMDMQN-CABCVRRESA-N 293.794 3.537 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ccccc1OC(F)F 267026724 AEAQCFLPRVXBSX-LLVKDONJSA-N 283.318 3.822 30 20 CHED COc1cccc2c(CNCC(C)(C)CC#N)cccc12 459684208 BSEKYUADDNTZNG-UHFFFAOYSA-N 282.387 3.878 30 20 CHED N#CCc1cccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 455923117 SKVCDIZNJLPJMY-IAGOWNOFSA-N 297.402 3.843 30 20 CHED CC(C)(C)c1cnc(CNC2(c3cccc(C#N)c3)CC2)o1 271651749 BGEHLZCYRYECEG-UHFFFAOYSA-N 295.386 3.623 30 20 CHED C=CCC1(C(=O)Nc2cnn([C@H](C)C3CC3)c2)CCCC1 450790195 XYPHNTZFXKOTSG-CYBMUJFWSA-N 287.407 3.929 30 20 CHED Cc1nccn1CCCS[C@H](C)c1cccc(C#N)c1 276141248 CFFFCUNOZXOBEN-CYBMUJFWSA-N 285.416 3.948 30 20 CHED C=CCN(C(=O)NC[C@@H](C)Sc1ccccc1)C1CC1 540110427 FJTTZRASPKCIKS-CYBMUJFWSA-N 290.432 3.527 30 20 CHED C=CCCCC(=O)N(C)Cc1ccccc1SC 279319202 AYBGPQUNOUBWBI-UHFFFAOYSA-N 263.406 3.723 30 20 CHED C=CCC[C@H](CC)N[C@H](CC(=O)N(C)C)c1ccccc1 360165414 XZAZUDGHRGVMBI-DLBZAZTESA-N 288.435 3.540 30 20 CHED CC(C)[C@H]1N(C(=O)CC(C)(C)C#N)CC12CCCCC2 458186549 LCMMKJRMAOUCLF-OAHLLOKOSA-N 276.424 3.744 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C=C(C1CC1)C1CC1 272758602 YMXZZAYTJJGVEN-GFCCVEGCSA-N 296.370 3.662 30 20 CHED CC[C@H](C)c1noc(C(C)(C)Cc2ccc(C#N)cc2)n1 453070929 VZQBYMJCYFUEKZ-LBPRGKRZSA-N 283.375 3.975 30 20 CHED Cc1ccc([C@@H]2CCN(C(=O)CC(C)(C)C#N)C2)c(C)c1 279673560 LYIIFAFUXQCUTB-OAHLLOKOSA-N 284.403 3.559 30 20 CHED CC[C@H](C#N)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 275410216 CGNBVWVQQXNWTE-WBVHZDCISA-N 299.805 3.911 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCC[C@@H](C)CC1 468094808 XCTIQTYWKQIPBS-CVEARBPZSA-N 281.440 3.834 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc2c1CN(CC(C)C)C2 285708279 IHQLDTFNMOLDMB-SFHVURJKSA-N 299.418 3.537 30 20 CHED CCC[C@H](C)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 371786816 PRDRHBOHLGFZFA-USXIJHARSA-N 284.403 3.721 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 466963357 JIKYSSJRLGLBEL-KGLIPLIRSA-N 266.429 3.809 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F 468012618 WWBMRWHVBFFELQ-YNZJMPHRSA-N 279.330 3.539 30 20 CHED C=CCC(C)(C)C(=O)NCc1c(F)cccc1SC 552346311 GXTLWMCIVIROOK-UHFFFAOYSA-N 281.396 3.766 30 20 CHED CC#CCSCc1noc(-c2ccc(Cl)cc2)n1 464084325 YFQYMUUJQCOTRQ-UHFFFAOYSA-N 278.764 3.647 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)C1CCCCC1 460811729 VQTZTWDPYFOFLL-UHFFFAOYSA-N 288.439 3.891 30 20 CHED CC#CCN(C)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 554688733 ZIVDJKRVUTZGHI-GFCCVEGCSA-N 297.320 3.681 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1Cc1ccc(C#N)o1 467549781 CRGOEOOVJHLART-GOEBONIOSA-N 280.371 3.919 30 20 CHED Cc1cccc2[nH]cc(Cc3noc(CC(C)(C)C#N)n3)c12 289220722 UFJPGOWFPINIAI-UHFFFAOYSA-N 294.358 3.542 30 20 CHED CC(C)n1nccc1CN[C@@H](CCC#N)c1ccccc1 280212464 IIMXWOBTYWGYKU-KRWDZBQOSA-N 282.391 3.599 30 20 CHED C[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 558493276 MVXFZUVGKWJPLY-SRCQZFHVSA-N 254.377 3.714 30 20 CHED C[C@H](N[C@H](C)c1c(F)cncc1F)c1cccc(C#N)c1 285777315 SJTPJDBGXGWLDX-WDEREUQCSA-N 287.313 3.643 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(/C=C\C)cc1 554790400 GQWMAZXKIIXVNJ-XTKXOIQPSA-N 273.376 3.887 30 20 CHED Cc1cc(F)cc(NC(=O)c2cc(C#N)ccc2Cl)c1 552127493 BCFAMCWYBOWUFX-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCC[C@@H](N[C@H]1CCn2ccnc21)c1ccccc1 297115516 YIDAXDXVCABHTK-CVEARBPZSA-N 267.376 3.625 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1C 476814690 LBEZOGRTNLAOAW-CABCVRRESA-N 285.391 3.957 30 20 CHED CCCCS[C@@H](C)C(=O)N[C@](C)(C#N)C1CCCCC1 555905145 VXEQVLNDJPRWAG-XJKSGUPXSA-N 296.480 3.887 30 20 CHED Cc1cc(-c2noc(-c3ccccc3OCC#N)n2)c(C)o1 809483886 NAQJERQZGRBKTB-UHFFFAOYSA-N 295.298 3.516 30 20 CHED C=CCC1(C(=O)NCCc2c[nH]c3cc(C)ccc23)CCC1 479931754 PBPNYJYBOATYKP-UHFFFAOYSA-N 296.414 3.881 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@H]1CC[C@H](C)O1 475044278 CVBPAXRJJUVJMN-NWDGAFQWSA-N 285.840 3.957 30 20 CHED Cc1nnc(Nc2ccc(C(C)(C)C#N)cc2)c(C#N)c1C 298315375 QCQLTMYXONWWSN-UHFFFAOYSA-N 291.358 3.510 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 298350188 HBZMYGKRYGODRQ-OAHLLOKOSA-N 299.418 3.835 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(Cc2cc(C)cc(C)c2)no1 290112903 MXVNSSJQYNNZFL-NVXWUHKLSA-N 298.386 3.726 30 20 CHED C=CCOCCCOc1ccc(Br)c(F)c1 478790781 WOWJPPVCADSOFX-UHFFFAOYSA-N 289.144 3.560 30 20 CHED C=C(C)CN(CC)C(=O)CCOc1ccc(F)c(Cl)c1 642562804 FITMULBHLARPNH-UHFFFAOYSA-N 299.773 3.673 30 20 CHED C[C@H]1CC/C(=C\C(=O)Nc2cc(C#N)c3ccccc3n2)C1 809077233 NGFIBPBQXZPQTD-OQZOHAQUSA-N 291.354 3.791 30 20 CHED N#CCCCCNC(=O)c1cc(Cl)c(F)cc1Cl 293008658 GVDLQVWIOJXQPL-UHFFFAOYSA-N 289.137 3.556 30 20 CHED CC(=NN[C@@H]1CCSC1)c1ccc(Cl)c(Cl)c1 808002850 PRTGYBMBJVZQOW-SNVBAGLBSA-N 289.231 3.813 30 20 CHED C=CCCCCSCc1cc(=O)n2cc(C)ccc2n1 562828469 UCVJKHYQZQMDGL-UHFFFAOYSA-N 288.416 3.592 30 20 CHED C=C(C)CNC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1 474352667 TZOYEBBDXAFZEH-UHFFFAOYSA-N 297.320 3.720 30 20 CHED CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 478206175 KSZXAPQTBGLRTK-INIZCTEOSA-N 284.403 3.528 30 20 CHED C[C@H](SCCO[C@H](C)C#N)c1ccc(F)cc1F 802749793 NKPHCKSNAUPUCM-ZJUUUORDSA-N 271.332 3.688 30 20 CHED CCC(C)(C)C1CCC(CC(=O)OCC#N)CC1 801475434 MMYNYABATITZLT-UHFFFAOYSA-N 251.370 3.686 30 20 CHED CC[C@H](C)[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 397576752 DPRIRTGZVLZGBW-JZXOWHBKSA-N 298.430 3.969 30 20 CHED CCC[C@@H](CC)SC[C@@H](O)COc1ccc(C#N)cc1 477056211 KFKFWHUHBUKNHF-GOEBONIOSA-N 293.432 3.610 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)CCCC1 567954700 KKJRPHUGPUCYNA-CABCVRRESA-N 291.435 3.539 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(CN(C)C)ccc1C 292847452 QEHUFBVVPOZSSE-UHFFFAOYSA-N 274.408 3.597 30 20 CHED Cc1ccc(C(C)(C)C(=O)NCC(C)(C)CCC#N)cc1 563991238 HIYFUCVYIMLJCJ-UHFFFAOYSA-N 286.419 3.719 30 20 CHED CSC1(C=NNc2ccc(F)cc2C)CCC1 800813822 BTXJPWGOPSJIBI-UHFFFAOYSA-N 252.358 3.818 30 20 CHED C=CCn1cccc1C(=O)Nc1nc2ccsc2s1 488970916 KVWHUKNCZWLFPT-UHFFFAOYSA-N 289.385 3.598 30 20 CHED COc1ccc(Br)c(CON=C2CCC2)c1 818077472 FBDQKCOTVXYACN-UHFFFAOYSA-N 284.153 3.514 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C)c(OC(C)C)c1 816510285 QUDZEEBGKSZVRC-UHFFFAOYSA-N 283.318 3.932 30 20 CHED C#CCC1(C(=O)Nc2cc(C3CC3)ccn2)CCCCC1 811953514 FJSYPCJXSHAZEW-UHFFFAOYSA-N 282.387 3.871 30 20 CHED C[C@@H]1C[C@@H](NN=C2CCCCC23CCCC3)CCO1 814898578 ZHMDGZYDDVAHCM-KGLIPLIRSA-N 264.413 3.634 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cc([N+](=O)[O-])ccc1N 814753747 YDYMIBPPMBJFFA-UHFFFAOYSA-N 298.346 3.630 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 481596706 LODOWRYWMSOXFF-NSHDSACASA-N 277.343 3.644 30 20 CHED C=CCOc1ccc(CC(=O)N(C)[C@@H](C)C(C)(C)C)cc1 579796914 YDFOJTLQFGNKLJ-AWEZNQCLSA-N 289.419 3.687 30 20 CHED C=C(C)CN(CC)Cc1ccc(Cl)cc1OC 482626518 DARRUUMZRNUVTB-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C=CCCCCNCc1cncc(Br)c1C 657438024 HLFOCOJDFLHQEI-UHFFFAOYSA-N 283.213 3.598 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N2CC(C)(C#N)C2)cc1 482596874 HXBGMCMNQAGPRB-AWEZNQCLSA-N 284.403 3.676 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 487729368 MCPUFSPQYOFGJU-IRXDYDNUSA-N 286.419 3.930 30 20 CHED CSc1ccc(C=NNCCc2ccccc2F)s1 814875384 FHICHDYBLNGOQL-UHFFFAOYSA-N 294.420 3.775 30 20 CHED C=CCN(Cc1cc(C)nc(C)n1)CC1CCCCC1 659920655 RKTWBIMKJXPRQW-UHFFFAOYSA-N 273.424 3.662 30 20 CHED Cc1ccccc1OCCN(C)[C@@H](C)c1cccc(C#N)c1 487673199 IMIYGIORYKWGKS-INIZCTEOSA-N 294.398 3.939 30 20 CHED CC(=NN[C@H](C)COc1ccccc1)C1CCCCC1 811667344 SFGVEUGVXCXHLE-CQSZACIVSA-N 274.408 4.000 30 20 CHED c1ccc([C@@H]2CCC(=NOC3CCOCC3)C2)cc1 814906512 XXFCSRDGONZQHR-CQSZACIVSA-N 259.349 3.506 30 20 CHED C=CCCCS(=O)(=O)N(Cc1ccccc1)[C@H](C)CC 489050600 XDFJSMFVNCPCHV-OAHLLOKOSA-N 295.448 3.583 30 20 CHED CCOc1ccc(NCCCOc2ccc(C#N)cc2)cc1 728201830 RHFOZQKRNHRNKD-UHFFFAOYSA-N 296.370 3.838 30 20 CHED CCN(Cc1cc(C)cc(C(C)(C)C)c1O)C[C@@H](C)C#N 726964013 RBKYNRLFILDYTQ-AWEZNQCLSA-N 288.435 3.980 30 20 CHED C=CCN(C)C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 480331941 KAGFHKQJTFVRDY-UHFFFAOYSA-N 283.158 3.733 30 20 CHED CSCc1ccc(N=c2[nH]ccc(C#N)c2Cl)cc1 571067817 NLXOZIQQMMRAHN-UHFFFAOYSA-N 289.791 3.635 30 20 CHED CC[C@@H](C=NNc1ncccc1[N+](=O)[O-])c1ccccc1 814869153 DDPWKASJBFRYQS-LBPRGKRZSA-N 284.319 3.581 30 20 CHED C[C@H]1[C@H](c2ccccc2)[C@@H]1C(=O)N1CCC(CCC#N)CC1 572724430 NRHPZTCTFPMOAR-BMGDILEWSA-N 296.414 3.578 30 20 CHED CC(C)[C@@H]1N(C(=O)[C@H](C#N)CCc2ccccc2)CC1(C)C 480575237 ZGCSBMFKZATYCQ-IRXDYDNUSA-N 298.430 3.652 30 20 CHED C[C@@H](NCc1ccc(Cl)cc1C#N)c1ccc(C#N)cc1 579855861 HWKPIYFQOLMEOU-GFCCVEGCSA-N 295.773 3.934 30 20 CHED C#C[C@H](NC(=O)N1[C@@H](C)CC[C@@H]1C)c1ccc(Cl)cc1 820566041 ZFZCBWJEDZHIMX-HUBLWGQQSA-N 290.794 3.597 30 20 CHED C(=NNC1CCCC1)c1ccccc1OCc1ccncc1 727651893 SKHQVXATZZYCEX-UHFFFAOYSA-N 295.386 3.527 30 20 CHED C#Cc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)cn1 728811765 JGMCUXQJASWBGJ-QGZVFWFLSA-N 292.382 3.580 30 20 CHED N#Cc1nccc(N[C@@H](c2ccccc2)C2CCCC2)n1 572422773 IHWDDGKVECZTGA-KRWDZBQOSA-N 278.359 3.692 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H]2CCC(C)(C)C2)cc1 579385487 AWCSRRHFRKNUBP-OAHLLOKOSA-N 287.403 3.694 30 20 CHED C=CCn1cccc1C(=O)N(Cc1ccccc1)C(C)C 490050540 PZCVJLVKAJPNHX-UHFFFAOYSA-N 282.387 3.725 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(Cl)c(C)c1 499527632 MEKWBKJZHMYABQ-UHFFFAOYSA-N 265.784 3.867 30 20 CHED C=CCN(C(=O)NCC(C)(C)c1ccccc1C)C(C)C 726264786 RZYCTQFWGXRMEI-UHFFFAOYSA-N 288.435 3.879 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H](C)c1cnccn1 906371819 QBIDIHGXJGYFFG-OAHLLOKOSA-N 291.439 3.789 30 20 CHED Cc1ccc(C)c(C=NNc2cnc3ccccc3n2)c1 727258338 FVIXUMNRJCAVND-UHFFFAOYSA-N 276.343 3.693 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCC1CC1 589751535 NKLBBSNEYPPSIC-UHFFFAOYSA-N 284.403 3.876 30 20 CHED C=CCCCCNc1cccc(CS(=O)(=O)C(C)C)c1 580284478 KUNKXIRKUZVMTJ-UHFFFAOYSA-N 295.448 3.778 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)c1cccc(OCC)c1 497118271 YALBHILGSBBWSM-HIFRSBDPSA-N 290.407 3.800 30 20 CHED CC[C@@H](NC(=O)CCCCCC#N)c1ccc(OC)cc1 588255192 QDZYBVLDHGQYCN-MRXNPFEDSA-N 288.391 3.737 30 20 CHED COC(=O)Nc1cccc(OCc2ccc(C#N)c(C)c2)c1 495914047 RNRUEBYYLKTYJL-UHFFFAOYSA-N 296.326 3.624 30 20 CHED CC(C)(C)c1ccc(C=NOCc2cc(C#N)ccn2)cc1 902685095 CGHXLZFODSSLBW-UHFFFAOYSA-N 293.370 3.801 30 20 CHED CCCCC(CC)=NNC(=S)NCCc1cccs1 732923810 JWEPLGBPAZDTSL-UHFFFAOYSA-N 297.493 3.711 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCC(=O)c1ccccc1 907808272 PULIDADJWPVVGW-INIZCTEOSA-N 285.387 3.607 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N(O)Cc1ccc(F)cc1 904177844 PUCZWUVFXWJSMX-JTQLQIEISA-N 293.260 3.522 30 20 CHED C=CCCCOC(=O)c1cnc(-c2ccccc2)s1 735530123 VMRJTFRMGSJDCH-UHFFFAOYSA-N 273.357 3.933 30 20 CHED C=CCCCCCN(C)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 735408218 IBFZDAHVZINRQS-AWEZNQCLSA-N 299.422 3.606 30 20 CHED C[C@H](C#N)OCCN(C)[C@H]1CCCC[C@@H]1c1ccccc1 839652083 YZEJWRMTMBYBGQ-NXHRZFHOSA-N 286.419 3.573 30 20 CHED C(/C=C/c1ccccc1)=NNc1cnnc2ccccc12 733748411 VVFYGODIUBEYRY-ODGAGTQYSA-N 274.327 3.741 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCCC(F)(F)C1)CC2 589344176 DUZGUCNMBVZTFE-XJKSGUPXSA-N 290.357 3.961 30 20 CHED CC(C)c1ccc2c(Cl)c(C(=O)NCC#N)sc2c1 732658763 XMWCYIXFHZLAFT-UHFFFAOYSA-N 292.791 3.931 30 20 CHED CC[C@@H](N[C@@H]1CCc2c(O)cccc21)c1cccc(C#N)c1 902794718 YLAMEEQVOOYQMH-QZTJIDSGSA-N 292.382 3.992 30 20 CHED C=CC(C)(C)c1nc(C(F)(F)c2ccc(F)cc2)no1 580756593 BKLZTVZEVWQDOJ-UHFFFAOYSA-N 282.265 3.812 30 20 CHED C=C(CNC(=O)c1ccn(C(CC)CC)n1)c1ccccc1 673342590 NCXPMSWAFXCOTM-UHFFFAOYSA-N 297.402 3.687 30 20 CHED CC(C)C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)CCO1 584868921 OYWOKTRXLFNYLE-YQVWRLOYSA-N 298.430 3.729 30 20 CHED CSC[C@H](C)COC(=O)C[C@H](CC#N)c1ccccc1 835682545 MLRKXTBNVZDQSW-HIFRSBDPSA-N 291.416 3.616 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)Cc1ccccc1Cl 916643779 OHVJVLNXOJIJMR-ZDUSSCGKSA-N 294.826 3.879 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2c(F)cccc2Cl)cc1 916244871 DSZVQJNROKPMQY-UHFFFAOYSA-N 293.685 3.833 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(C(=O)O)cc1 733749171 RTMSFNOPNBKSFN-DAXSKMNVSA-N 272.325 3.651 30 20 CHED CCN(C(=O)/C=C\c1ccccc1C#N)c1ccccc1F 914475100 HNQPPYBHYNATPT-QXMHVHEDSA-N 294.329 3.764 30 20 CHED C=CCCCCOC(=O)C[C@@H](O)c1ccc(Cl)cc1 837562317 YSCHIHOLUFGREO-CQSZACIVSA-N 282.767 3.663 30 20 CHED CCc1nocc1/C=C1\CCc2ccc(F)cc2C1=O 834434490 KUEYWGHHGJVOGC-YRNVUSSQSA-N 271.291 3.589 30 20 CHED CC(=NNC(=S)N[C@H]1CCCC[C@@H]1C)c1cccs1 916277646 OGOHRJBITUTJHH-JQWIXIFHSA-N 295.477 3.515 30 20 CHED CCON=C1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 834937163 LFAZPXDWBQCLKY-OCCSQVGLSA-N 296.411 3.579 30 20 CHED COc1cccc(/C=C2/Cc3c(F)ccc(F)c3C2=O)c1 749583216 VTTXSBKPALUYNL-XFFZJAGNSA-N 286.277 3.796 30 20 CHED C(=NNc1cnccn1)c1cccc(Oc2ccccc2)c1 912959211 XVQXTBALIANNNM-UHFFFAOYSA-N 290.326 3.715 30 20 CHED C=C(C)COc1cc(CN[C@H](C)C2CCC2)ccc1OC 677323705 YSLSMQKRSHGTIA-CQSZACIVSA-N 289.419 3.928 30 20 CHED C=C(Br)COC(=O)[C@H](C)c1cccc(C)c1 740349818 RUKLVMGVGYSDOH-LLVKDONJSA-N 283.165 3.550 30 20 CHED C#CCCCNC(=O)N(CCC)[C@@H]1CCc2ccccc21 743692608 NIWRYHLGHMKLIJ-QGZVFWFLSA-N 284.403 3.509 30 20 CHED C=CCC[C@@H](C)NCCC[C@H]1CC1(Cl)Cl 846112422 ZRVSCHBJFJMWBW-MNOVXSKESA-N 250.213 3.905 30 20 CHED C=C(Cl)CNc1ccccc1OC[C@@H]1CCCCO1 849313823 OKXWECRQUOYGRJ-ZDUSSCGKSA-N 281.783 3.799 30 20 CHED C=CCN(CC(=O)O)CC1CCC(c2ccccc2)CC1 846262246 CIGCKTMQMLLYHN-UHFFFAOYSA-N 287.403 3.533 30 20 CHED C#CC1CCN(C(=O)C[C@H]2C[C@@H](C)c3c(C)cccc32)CC1 843700708 PTMLACRMKNIIIT-NVXWUHKLSA-N 295.426 3.848 30 20 CHED CCC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccccn1 742369432 GRWSECDYSZGIHD-INIZCTEOSA-N 295.386 3.593 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCCc1ccc(C#N)cc1 595055399 CHKXJMJLUDTHJQ-OAHLLOKOSA-N 294.398 3.769 30 20 CHED C=CCOc1cccc(NC(=O)N(CC=C)C(C)C)c1 919913956 BXHROWBSEREXPO-UHFFFAOYSA-N 274.364 3.680 30 20 CHED CC(C)(C(=O)Nc1nc(Cl)c(C#N)s1)C1CCCC1 841224058 IJPJYTJNSJLRKA-UHFFFAOYSA-N 297.811 3.823 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc2cc(Cl)ccc2s1 597035697 CAUKJWDXTSBCDF-CQSZACIVSA-N 292.791 3.977 30 20 CHED COc1ccc2c(c1)O/C(=C/c1cc(C)ccc1OC)C2=O 749131521 AUKUCYCTZDPTFU-RQZCQDPDSA-N 296.322 3.628 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@H](C)C(F)(F)F 744023593 OTUVZUZHBLHJCJ-VIFPVBQESA-N 288.265 3.528 30 20 CHED CN(C)c1ccc(C=NNc2ccccc2Cl)s1 916262480 MLGNQFQQIFDGBI-UHFFFAOYSA-N 279.796 3.914 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 593438394 AMDCDJPBPSRQEH-VIFPVBQESA-N 285.372 3.662 30 20 CHED C=CCN(C(=O)NCc1ccc([C@H]2C[C@H]2C)o1)C(C)C 918078414 STFJRYLVGWZEHF-OCCSQVGLSA-N 276.380 3.509 30 20 CHED CCN(CC)Cc1cc(C(C)=NOCC(C)C)ccc1O 749637138 YQRMDZZVDLMCHC-UHFFFAOYSA-N 292.423 3.631 30 20 CHED CSc1ccc2c(c1)CC/C(=C/c1cc(C)nn1C)C2=O 841486029 SAGZWYIQBCYZJK-LCYFTJDESA-N 298.411 3.663 30 20 CHED COc1ccc(N(C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 845998008 IJBPUPYWKICXHV-CQSZACIVSA-N 296.370 3.622 30 20 CHED CCO[C@H]1CC(=NNc2cccc(C#N)c2)C12CCCC2 743434088 RNJYOWLMFAUXMY-INIZCTEOSA-N 283.375 3.695 30 20 CHED CCCc1cccc(C(C)C)c1NC(=O)N1CC(C#N)C1 590830238 JQSSEBZSNXBFQC-UHFFFAOYSA-N 285.391 3.750 30 20 CHED C[C@@H](NCCCC1CCC1)c1ccc(C#N)cc1F 595078712 AFHNDOBWXGYATB-GFCCVEGCSA-N 260.356 3.928 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1CCc2c(Cl)cccc21 684939209 MMAAOPMPHAUFDX-FZMZJTMJSA-N 277.795 3.841 30 20 CHED Cc1ccc(-c2cccc(CN(C)C)c2)cc1CC#N 592986502 IIDSDUABVDSBPI-UHFFFAOYSA-N 264.372 3.790 30 20 CHED Cc1ccccc1N(C(=O)c1ncc(C#N)cc1C)C(C)C 590981672 CBFWVSQCAKRCSS-UHFFFAOYSA-N 293.370 3.625 30 20 CHED C=CCCCCCN(C)C(=O)/C(C)=C/c1ccco1 846882558 LGDCRDVFIFLPOL-BUHFOSPRSA-N 261.365 3.888 30 20 CHED C=CCC[C@@H](C)NCCc1c[nH]c2ccc(OC)cc12 680463947 BDECHPVXWXJKSX-CYBMUJFWSA-N 272.392 3.663 30 20 CHED CCC1(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CCCC1 594037192 HCQZHVYDSSNIAJ-AWEZNQCLSA-N 284.403 3.576 30 20 CHED CCc1ccc(N(CC2CC2)C(=O)[C@H](C#N)CC)cc1 846240366 LXBBVPVQNJAMTD-HNNXBMFYSA-N 270.376 3.542 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCCCC(F)(F)F)c1 842103031 CFJCYTMNBATDQD-QWHCGFSZSA-N 297.276 3.547 30 20 CHED CCN(C)c1ccc(/C=C\C(=O)c2coc(C(C)C)n2)cn1 844553811 XPRALSRJPKCHBG-VURMDHGXSA-N 299.374 3.545 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(OC3CC3)c2F)no1 849248513 UBEBZHSQZVQQQA-VMPITWQZSA-N 287.290 3.559 30 20 CHED C#CCCN(CCC)Cc1ccc(OCCC)c(OC)c1 920415777 LLBFFWJSAUYTAV-UHFFFAOYSA-N 289.419 3.719 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC)c1cc(F)ccc1OC 925815271 VIBGUDJVJMKAOJ-CQSZACIVSA-N 294.370 3.503 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1CC(=O)N(C(C)(C)C)C1 850557957 OSPDAFFPBQVUGY-JKSUJKDBSA-N 294.483 3.748 30 20 CHED FC(F)(F)c1ccc(CON=CC2CCOCC2)cc1 755805213 SPVXPPFTKOFSKR-UHFFFAOYSA-N 287.281 3.634 30 20 CHED CCCCCC[C@@H](C)NC=C1C(=O)CC(CC)CC1=O 920976615 MAXLIMKOQKENDU-KWCCSABGSA-N 279.424 3.777 30 20 CHED N#Cc1ccc(NC(=O)c2scnc2Cl)cc1Cl 920080348 NWFLZIYGQVZSTF-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C(=NO[C@H]1CCCCO1)c1cnc(C2CCCC2)s1 755813308 DPQNFSYIPCYYRA-ZDUSSCGKSA-N 280.393 3.678 30 20 CHED CCC(CC)[C@@H](CCN[C@@H](C)CC(C)(C)C#N)OC 925586259 LBNXGTSKWBXXPR-DZGCQCFKSA-N 268.445 3.746 30 20 CHED Fc1cc(F)cc(NN=Cc2cc(F)ccc2F)c1 920374877 MSPMDLWROQVBPM-UHFFFAOYSA-N 268.213 3.689 30 20 CHED N#CCc1ccc(C(=O)Oc2ccccc2Cl)cc1 758144423 NAGURCOOUIBGRU-UHFFFAOYSA-N 271.703 3.625 30 20 CHED COc1ccc(C=NNc2ccc3ccccc3n2)cc1F 751415333 ZMGOXEHDXCTGHC-UHFFFAOYSA-N 295.317 3.829 30 20 CHED COc1cccc2cc(CN3CCC[C@](C)(C#N)C3)oc12 753587823 RDQWXBDYMPDFDH-QGZVFWFLSA-N 284.359 3.567 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1cc(F)c(F)cc1F 851204681 TVSBFGHQKAKLGS-VIFPVBQESA-N 299.292 3.518 30 20 CHED C#CC[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 756997196 WCKUHBFTYGBFOP-AWEZNQCLSA-N 286.356 3.511 30 20 CHED C#C[C@](C)(CC)NC(=O)c1oc2ccccc2c1CC 854706272 XYTCYLUWDYUYCI-QGZVFWFLSA-N 269.344 3.527 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(N(C)C(C)=O)cc1 858498229 MHTACLFHEZIBTN-OAHLLOKOSA-N 288.435 3.894 30 20 CHED C#CC[C@@H](NC(=O)N1CCC(C)(CC)CC1)c1ccccc1 757771292 JDDVXNGBYNJNFZ-QGZVFWFLSA-N 298.430 3.973 30 20 CHED C[C@H](NN=Cc1c[nH]c2ccccc12)c1ccccc1 920385854 IRQXUEUIWRZYND-ZDUSSCGKSA-N 263.344 3.853 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@@H]2CCc3ccccc32)cc1 755461553 FTBCJDKZFPPPJI-ZDUSSCGKSA-N 281.315 3.723 30 20 CHED CN1CCc2cc(/C=C3/Cc4ccc(F)cc4C3=O)ccc21 751535871 QIYRQNOXTODFIX-DHDCSXOGSA-N 293.341 3.640 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(C#N)cc1 759668036 XBXLFYJGJSRGAW-UHFFFAOYSA-N 267.307 3.842 30 20 CHED C=CC[C@H]1N(C(=O)Cc2ccc(C=O)cc2)CCCC1(C)C 861339608 WOVCADMWILCJSE-QGZVFWFLSA-N 299.414 3.635 30 20 CHED N#Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]2C3)c(Cl)c1 930434884 ZZLCTCULNOAOSO-RYUDHWBXSA-N 289.766 3.618 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)c(O)c1 769609137 GPTQHYZGAAVEKO-CLFYSBASSA-N 298.386 3.628 30 20 CHED COc1ccsc1C(C)=NNc1ccccc1[N+](=O)[O-] 769765473 HXGHEMOJXLVTLJ-UHFFFAOYSA-N 291.332 3.501 30 20 CHED Cc1nc(Cl)cc(NN=C2CC[C@H](C)[C@H](C)C2)n1 767381409 XDTPYGMZNZULHD-DTWKUNHWSA-N 266.776 3.662 30 20 CHED CC(CCc1cccc(C)c1)=NOCC(F)(F)F 764836748 YVYYMAOFTZIDDH-UHFFFAOYSA-N 259.271 3.882 30 20 CHED CCOc1cccc(/C=C\C(=O)O[C@@H](C#N)C(C)(C)C)c1 860647372 XXJSEAODMXMIBK-KVPUOBJLSA-N 287.359 3.580 30 20 CHED C=CCOCSc1ncnc2sc(C)c(C)c12 865344452 KIENRHUZKVKTPA-UHFFFAOYSA-N 266.391 3.560 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2sc(C)nc2c1 767098891 RFGRQLMVDUJNOJ-UHFFFAOYSA-N 272.373 3.593 30 20 CHED C#CCN(C(=O)Nc1cccc2ccsc12)C(C)C 930517123 AGFURVAPWCYCNZ-UHFFFAOYSA-N 272.373 3.777 30 20 CHED O=C1CCCN1N=CCCCc1ccc(Cl)c(Cl)c1 768783378 FFWJVGRLIKRNQZ-UHFFFAOYSA-N 299.201 3.924 30 20 CHED Cc1ccc([C@H](C)C=NOCc2cccnc2)cc1 863103733 IQAYJESIBBLUFU-CQSZACIVSA-N 254.333 3.696 30 20 CHED CCCCCCCC(=O)OCc1ccc(C#N)cc1 866461300 SBVSGHGVSIGZEL-UHFFFAOYSA-N 259.349 3.962 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)c1csc(C#N)c1 1117818293 GMXJMKPCZXJDMW-UHFFFAOYSA-N 278.421 3.764 30 20 CHED C#CCCCC(=O)Nc1cnn(CCCC)c1C(C)C 760530312 JUKOWNPWSXSWOZ-UHFFFAOYSA-N 275.396 3.549 30 20 CHED FC(F)(F)c1ccc(CON=CC[C@H]2CCOC2)cc1 765584717 QQMOVJBEXROZGX-LBPRGKRZSA-N 287.281 3.634 30 20 CHED C#CCCc1noc(CCc2ccc(C(C)(C)C)cc2)n1 761998682 CUOKODTXHAIZSU-UHFFFAOYSA-N 282.387 3.718 30 20 CHED CCC[C@@H](CC)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 873495424 NFRIOAGLNSPBIH-VXGBXAGGSA-N 269.348 3.565 30 20 CHED C#CC[C@H](NCc1cc(C#N)ccc1F)c1ccccc1 775401614 WNCKYKYUVXAQFV-SFHVURJKSA-N 278.330 3.552 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1F 776726350 ISKGIQIGJMEUFM-KTAJNNJTSA-N 286.693 3.642 30 20 CHED C#CCCCCCC(=O)N1CCC(OC2CCCC2)CC1 779890373 LDSCGVDEUOGQBM-UHFFFAOYSA-N 291.435 3.520 30 20 CHED CCc1c(C)sc(NC(=O)C(C#N)(CC)CC)c1C#N 875298286 VRSKNQAQLFIRIA-UHFFFAOYSA-N 289.404 3.759 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1ccccc1SC 879822354 QDQLXENFSSHJKD-UHFFFAOYSA-N 277.433 3.969 30 20 CHED CCCc1cccc(CNCc2cc(C#N)ccc2F)c1 775310203 HQEQXIWLHRETOG-UHFFFAOYSA-N 282.362 3.940 30 20 CHED C[C@H](C#N)COC(=O)c1cc2c(s1)-c1ccccc1OC2 770929421 KSHHTTLRPVQHIL-SNVBAGLBSA-N 299.351 3.624 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 775520048 IYNJFGAOGLYFJX-UHFFFAOYSA-N 299.374 3.659 30 20 CHED COC(=O)c1cccc(NN=C[C@@H]2CCC[C@@H](C)C2)c1 779826172 GUZXALSSVVYSSV-CHWSQXEVSA-N 274.364 3.697 30 20 CHED CC[C@H](Nc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 774271841 LWXMAWQBLPSLFX-HNNXBMFYSA-N 280.327 3.850 30 20 CHED C#CCN(Cc1occc1C)[C@H]1CCc2ccccc21 772597569 HOHAGGURSOPARL-KRWDZBQOSA-N 265.356 3.711 30 20 CHED C[C@@H](OC(=O)[C@H]1CCCC1(C)C)c1cccc(C#N)c1 774044509 KZPOLJQDQUXACU-IUODEOHRSA-N 271.360 3.989 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1cncc(F)c1 773126883 WIKLPNPJSQVJCW-AWEZNQCLSA-N 263.360 3.503 30 20 CHED O=C(/C=C\c1cnc(C2CCC2)s1)c1ccncc1 776188446 QTAFXCARYKRGJM-PLNGDYQASA-N 270.357 3.702 30 20 CHED Cc1ccncc1CCC=NNc1ccc(F)cc1F 776722569 TZOXHHYZMOPEGY-UHFFFAOYSA-N 275.302 3.699 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccc(Cl)nc2)ccc1F 770573492 CRXBVMYKAVBNQU-GORDUTHDSA-N 286.693 3.642 30 20 CHED C#CC[C@H](NCCCc1ccccc1)c1ccccc1 775401090 QHQRZSDVEVPRDL-IBGZPJMESA-N 263.384 3.973 30 20 CHED Cc1noc(C)c1/C=C1\CCc2ccc(F)cc2C1=O 776191573 DRSNXMIVQSUQRY-KPKJPENVSA-N 271.291 3.643 30 20 CHED C=CCCC(=O)Nc1cccc(COC(C)(C)C)c1 885624388 QEIQMGJSNNXMDR-UHFFFAOYSA-N 261.365 3.906 30 20 CHED CC(C)CNN=C1CC=C(c2ccc(F)cc2)CC1 776776281 PQJOOSKBRMODGG-UHFFFAOYSA-N 260.356 3.995 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C/C1CCCCC1 770237751 PVTLKLTYUPEPLC-ZHACJKMWSA-N 268.360 3.942 30 20 CHED C#C[C@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 775571627 ITBXTYVYEQMAJF-BYCMXARLSA-N 297.320 3.537 30 20 CHED C=C(C)COc1cccc(CNC(=O)OC(C)(C)C)c1 771652385 KOSVMFVWDKYWMD-UHFFFAOYSA-N 277.364 3.666 30 20 CHED COCCON=C(C)C1(c2ccccc2)CCCC1 774387549 FUSZAYXWRXZVPJ-UHFFFAOYSA-N 261.365 3.537 30 20 CHED CCOc1ccc2c(c1)[C@@H](/N=C/c1ccccc1O)CCO2 773909072 ZVAZUEOUSNRLQB-QUYZQLMHSA-N 297.354 3.734 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1cc(C)cc(C#N)c1 1129687874 NPWCWEOLFMIFDC-HNNXBMFYSA-N 262.328 3.724 30 20 CHED CC[C@@H](OC(=O)c1ccc(C)c(C#N)c1)c1ccncc1 1129597176 ZUUSVCOWAJIYNU-MRXNPFEDSA-N 280.327 3.570 30 20 CHED C(=NN[C@H]1CCOC1)c1c2ccccc2cc2ccccc12 788458129 ZQADIIYTBXYYQF-INIZCTEOSA-N 290.366 3.705 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)c(N2CCCC2)c1 881002722 AANOEEDPLSWENJ-UHFFFAOYSA-N 287.407 3.635 30 20 CHED CCSc1ccc(C(C)=NNCCc2ccncc2)cc1 789097068 LBBBTFZABWIHJL-UHFFFAOYSA-N 299.443 3.750 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(C)cnc1Cl 787447625 VGKGYBSHXJMEER-LLVKDONJSA-N 281.787 3.910 30 20 CHED COc1ccc2[nH]cc(C=NNCCC(C)(C)C)c2c1 782902862 LDKTXBTXTKYTEW-UHFFFAOYSA-N 273.380 3.536 30 20 CHED CC(=NNCC(F)(F)F)c1cc2ccccc2s1 780240686 GXIBNHJWESRCAQ-UHFFFAOYSA-N 272.295 3.777 30 20 CHED CC(C)(C#N)CC(=O)OCc1cc(Cl)ccc1Cl 784728135 JSXOTVZVBUQWKJ-UHFFFAOYSA-N 286.158 3.976 30 20 CHED CC(C)(C)Oc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 897755290 YKZAZOIDHXQRGM-JSGCOSHPSA-N 258.365 3.968 30 20 CHED CC(C)(C)C(=O)/C=C1/SCC(=O)N1CCC1CCCC1 783553909 ZKXWZLQCVQSWNS-XNTDXEJSSA-N 295.448 3.599 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(-c3ccccc3)o2)C1 896506047 RZOUPFZZCWIDHD-CQSZACIVSA-N 266.344 3.682 30 20 CHED C#Cc1cc(F)c(NCc2ccc(F)c(C#N)c2)c(F)c1 787909543 FHMUFLVQBTYEMW-UHFFFAOYSA-N 286.256 3.569 30 20 CHED CC(C)(C)c1ccc(C=NNCCc2ccccn2)cc1 789106145 YSXDXCCUCRNLIC-UHFFFAOYSA-N 281.403 3.545 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@](F)(C#N)C1 786234202 SMEUWVUUEMZRMS-MRXNPFEDSA-N 282.403 3.981 30 20 CHED C#CCCCCCC(=O)Nc1cc(CN(C)C)ccc1C 780725839 UDNMKCALZZNSFU-UHFFFAOYSA-N 286.419 3.579 30 20 CHED Cc1cc(C(=O)/C=C\c2cn(C)nc2C2CC2)cs1 899380932 RUUIMJYJDRKYDN-WAYWQWQTSA-N 272.373 3.564 30 20 CHED C=CCCCCCOC(=O)/C=C\c1ccc(OC)c(O)c1 783081370 SDJAIJCWMDMGGD-LUAWRHEFSA-N 290.359 3.704 30 20 CHED CCCCCCCCCNC(=O)c1cn(C(C)(C)C)nn1 790260379 OKYOVQCRZSSSBY-UHFFFAOYSA-N 294.443 3.514 30 20 CHED C#CCC1(C(=O)NC[C@H]2CC[C@@H](C)C2)CCCCC1 794264342 UNZHCDHMLDDVJK-CABCVRRESA-N 261.409 3.513 30 20 CHED C=CC(C)(C)Cc1nc(COCc2ccccc2)no1 896067452 ZZMWADUTDZZDSU-UHFFFAOYSA-N 272.348 3.541 30 20 CHED CCCCCCCN1CCC2(CC(OCC)C2)C1 796528474 USVIYKUUMMCHCQ-UHFFFAOYSA-N 253.430 3.848 30 20 CHED CCO[C@@H]1C[C@@H](N(C)C[C@H](C)CCC#N)C1(CC)CC 1204334829 MOXVNYKGDNPQSL-BZUAXINKSA-N 280.456 3.842 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 791248919 MWNSICWNLUVIJD-CYZMBNFOSA-N 290.234 3.631 30 20 CHED CC(CCc1ccc(F)cc1F)=NO[C@@H]1CCCCO1 794923631 QONNDCDDAPWLFE-OAHLLOKOSA-N 283.318 3.817 30 20 CHED CC(C)(NC(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1208345855 DCJPRTQLVQRRJQ-UHFFFAOYSA-N 297.333 3.754 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCCCC(C)C 798040602 SNYIRGFPEPLFEJ-WBVHZDCISA-N 281.440 3.690 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(OC(C)C)cc2)no1 791430823 FATQFCGQWWKDPC-TWGQIWQCSA-N 271.316 3.666 30 20 CHED CCC(=NNCc1ccccc1N(C)C)c1cccs1 794956770 LDCQTYLCSGNJFB-UHFFFAOYSA-N 287.432 3.718 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1CC(C)C 798550634 CLCSMBLYXMFDOC-OAHLLOKOSA-N 259.393 3.970 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SC/C(C)=C\Cl 797808515 KLCZOECWLPNXNZ-RDQDRAATSA-N 275.845 3.675 30 20 CHED COc1cccc(Cl)c1C/N=C\c1ccccc1O 790099054 LTMHLRKANKZHFD-MFOYZWKCSA-N 275.735 3.673 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1cccnc1 57825008 RJSNNOKKIOGCJG-MDZDMXLPSA-N 267.328 3.765 30 20 CHED C=C(Br)CN(CC1CC1)c1ccccc1 1307549614 HDABZAVSWVSKBL-UHFFFAOYSA-N 266.182 3.812 30 20 CHED Cc1nsc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1C#N 1306949783 UGQHBPDLBZFRNC-MPLKPFFPSA-N 273.405 3.560 30 20 CHED C=C(Cl)CNC(=O)NC[C@H](CCC)CCCC 1312241295 KBDRMJFCBNWQQQ-GFCCVEGCSA-N 260.809 3.645 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)C1CC1 279841861 AESQLKCTGVZFDA-AWEZNQCLSA-N 272.392 3.573 30 20 CHED Cc1cc(C)c(C(=O)OCCC2(C#N)CCCCC2)[nH]1 1325566844 YJZLKXWHJZOHHP-UHFFFAOYSA-N 274.364 3.653 30 20 CHED N#Cc1ccc(-c2nnc(-c3cccc4cnccc34)o2)cc1 1325750067 CVGAVACGGLOJTI-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CC[C@@H](C)c1nnc(C[C@H](CC#N)c2ccccc2)o1 1329096329 UQGQEDGMGJOSGI-OCCSQVGLSA-N 269.348 3.823 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCCCC#N 1325340446 QCTBBYLEXFLAMW-STQMWFEESA-N 258.365 3.532 30 20 CHED C=C(C)CCC(=O)N(C)c1ccc(F)c(Cl)c1 1337536535 WEYCJYFIPKHDPB-UHFFFAOYSA-N 255.720 3.798 30 20 CHED N#Cc1ccc(-c2nnc(-c3cccc(Cl)c3)o2)cc1 1253735504 OIBONHNVYYQCHP-UHFFFAOYSA-N 281.702 3.929 30 20 CHED C=CCN(Cc1cccc(C(F)F)c1)[C@@H](C)COC 661239649 HZNOBEKDDXANOO-LBPRGKRZSA-N 269.335 3.647 30 20 CHED C[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H](C)C1(F)F 599119144 YLYBGFIYPCUPDB-UWVGGRQHSA-N 284.737 3.939 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc(Cl)s2)c1 720249061 JRPSWITUYJDWMU-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1c(C#N)cccc1NCc1cccn1C1CC1 1330529142 QIPCQZKTVWYCHU-UHFFFAOYSA-N 251.333 3.615 30 20 CHED N#CC1(c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)CCC1 1331862708 AMHDKGWJRFEEBC-UHFFFAOYSA-N 297.402 3.774 30 20 CHED Cc1cscc1CN[C@@H](C)c1ccc(OCC#N)cc1 94877937 FNSLZTOLRQUMNO-ZDUSSCGKSA-N 286.400 3.810 30 20 CHED CSc1cc(C(=O)Nc2cc(C#N)ccc2F)c(C)o1 1436644886 RDHZNFGGXUFGMF-UHFFFAOYSA-N 290.319 3.573 30 20 CHED FC(F)(F)c1ccc(NN=Cc2cccn2C2CC2)nc1 1347936152 RVANUCRMZUOJEA-UHFFFAOYSA-N 294.280 3.683 30 20 CHED N#Cc1cccc(C2(C(=O)OCC3=CCCCC3)CC2)c1 1343447331 PDICQZHYTSVVCS-UHFFFAOYSA-N 281.355 3.633 30 20 CHED C[C@H](C(=O)N(C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 1265385778 PPUSRDHYISFDFG-LBPRGKRZSA-N 298.773 3.978 30 20 CHED N#CC[C@H](C(=O)N1CC[C@@H](C2CCCC2)C1)c1ccccc1 1276568338 WDCQNMIUKKHTRA-MSOLQXFVSA-N 296.414 3.723 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1Cc1cccc(OC)c1 1357811220 HHUYPVVTIATYRP-INIZCTEOSA-N 287.403 3.585 30 20 CHED CC1(C)CCC[C@H]1C(=O)O[C@H](CC#N)c1ccco1 1526993019 PBNKYCMXGRQBRI-WCQYABFASA-N 261.321 3.604 30 20 CHED C=C(CC)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 1527715133 DLTDFQDCFCYTOU-GOSISDBHSA-N 294.398 3.756 30 20 CHED CCCN(CCC(C)(C)C#N)[C@@H]1C[C@H](OCC)C1(C)C 1459541029 YSLUSXQFIZKNLQ-CABCVRRESA-N 280.456 3.842 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OC1CCCCC1 1521791621 FHVBQNKNEZMXAY-ZDUSSCGKSA-N 271.360 3.613 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 1530064551 JAUVXKPWYQAABO-MGPQQGTHSA-N 264.413 3.599 30 20 CHED CN(C(=O)c1csc(C#N)c1)c1ccc(F)cc1Cl 1538545289 MTQZGMZYAWVZJJ-UHFFFAOYSA-N 294.738 3.689 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)c1cc(C)cc(C)c1 1534662129 TUHYEQUFKGSJTE-UHFFFAOYSA-N 296.345 3.981 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N(C)CCCC 1539801609 DTNVYMWNSOVRHI-UHFFFAOYSA-N 296.846 3.925 30 20 CHED N#Cc1ccc(SCc2cnc3ccccc3n2)c(F)c1 1472993155 RSHSDZMYHGGUDL-UHFFFAOYSA-N 295.342 3.933 30 20 CHED Cc1cc(NCC2(Sc3ccccc3)CC2)ncc1C#N 1472686564 UZTWMCAIESDGDH-UHFFFAOYSA-N 295.411 3.999 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(F)c(C#N)c(F)c1 1625863958 SEMXZHKGXVCYMM-MGPLVRAMSA-N 292.329 3.535 30 20 CHED CC(C)N(CC1CCC1)C(=O)[C@@H](C#N)CCc1ccccc1 1626427832 SQHGKMSZAOYODQ-GOSISDBHSA-N 298.430 3.796 30 20 CHED C=CCCCCCCCNC1CCN(C2CC2)CC1 839109086 MPGINRQSUWGRNC-UHFFFAOYSA-N 264.457 3.729 30 20 CHED Cc1cc([C@@H](C)Nc2ncc(C#N)cc2F)ccc1F 1559202471 JGTVNPUNBJCLMC-SNVBAGLBSA-N 273.286 3.713 30 20 CHED N#Cc1ccsc1NC(=O)N[C@H]1C[C@@H]1C1CCCCC1 1563023594 JLKQQOQCGHCSQE-OLZOCXBDSA-N 289.404 3.710 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ncccc2Cl)n1 1643399446 JEAMSVSSEDPHKL-UHFFFAOYSA-N 289.791 3.911 30 20 CHED N#Cc1cncc(Sc2ccc3c4c(cccc24)CC3)n1 1643087891 MGTHFCCTBXGPIE-UHFFFAOYSA-N 289.363 3.751 30 20 CHED Cc1nc(N[C@H]2CCC[C@H]2C(C)(C)C)ccc1C#N 1651933192 QCHQMIZVUBOCMO-KGLIPLIRSA-N 257.381 3.888 30 20 CHED C=C[C@H](N[C@H](CCc1ccccc1)c1ccccc1)C(=O)O 1588692798 KAVLIRHDSNPHNO-ZWKOTPCHSA-N 295.382 3.589 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)Nc1cccc(CC#N)c1 1671464119 UPUVNVZQOQKRIV-CQSZACIVSA-N 293.370 3.944 30 20 CHED CC1(C)CCC/C(=C\c2cc(F)c(C(=O)O)cc2F)C1=O 1776550721 BSDRECBLVUROQJ-RMKNXTFCSA-N 294.297 3.826 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1c(C)cc(O)cc1C 1776031085 LQFTZNBAZUKEHG-UHFFFAOYSA-N 298.342 3.543 30 20 CHED O=C(/C=C/c1ccccc1F)c1ccc2c(c1)CCO2 14202541 LMJCNZGHQJSPKL-FNORWQNLSA-N 268.287 3.657 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2cncc(F)c2)c1 150949389 INPHBLNQALHJJD-AATRIKPKSA-N 255.292 3.734 30 20 CHED CN(CCOc1ccc(Cl)cc1)CC(C)(C)CCC#N 161165632 MQIJVKPBIYVCTD-UHFFFAOYSA-N 294.826 3.981 30 20 CHED N#CCOc1cccc(N[C@@H]2Cc3ccc(Cl)cc3C2)c1 158876825 GLZRROPOLCTOIF-MRXNPFEDSA-N 298.773 3.822 30 20 CHED CCCCCCCS(=O)(=O)Cc1cccc(OC)c1 151858766 SIIWCMIYIFPNQV-UHFFFAOYSA-N 284.421 3.580 30 20 CHED N#CCOc1cc(F)ccc1NCCCCC(F)(F)F 152072918 XRAYTVQIKCAXII-UHFFFAOYSA-N 290.260 3.873 30 20 CHED CCC(=CC(=O)N[C@H](CCC#N)c1ccccc1)CC 153194307 NHJSEWHIWGJWMU-MRXNPFEDSA-N 270.376 3.894 30 20 CHED C=CCN(C)C(=O)Nc1cccc(Cl)c1Cl 156098925 IBQHPXDSZGTAPL-UHFFFAOYSA-N 259.136 3.643 30 20 CHED Cc1csc(-c2cccc(OC[C@H](C#N)CCC#N)c2)n1 154779240 TVVRNFHVCLIFEM-ZDUSSCGKSA-N 297.383 3.941 30 20 CHED C=CCCCCCCNC(=O)c1ccnc(Cl)c1F 805219877 ZDHGCDQKDOHKLB-UHFFFAOYSA-N 284.762 3.740 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 909109265 ZQYJFDXOPMJJGM-UHFFFAOYSA-N 281.739 3.579 30 20 CHED N#Cc1ccc(CNC2CCC3(CCCC3)CC2)nc1 810153993 IGIFPKBYDRQISX-UHFFFAOYSA-N 269.392 3.546 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2C#N)C1 1119425914 PWJCYBYQPFIBEY-UWVGGRQHSA-N 262.740 3.586 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cc(Cl)ccc1Cl 233293346 JBILNRMVRWWHAS-JTQLQIEISA-N 285.174 3.917 30 20 CHED N#Cc1cc(F)ccc1NCc1cccc(F)c1F 126285006 KIGZRIGBMMGOHO-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C[C@@H](NCCc1cccc(F)c1)c1ccc(C#N)cc1 36778744 REEHAHFJTKTTKZ-CYBMUJFWSA-N 268.335 3.591 30 20 CHED CCN(Cc1cccs1)C(=O)C1(C#N)CCCCC1 44385692 QTMPFMWRVAITRE-UHFFFAOYSA-N 276.405 3.571 30 20 CHED Cc1ccc(CN(C)c2cccc(F)c2C#N)s1 301152454 KZFZDBNWGUDPMG-UHFFFAOYSA-N 260.337 3.704 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](O)C(C)(C)C1 312309278 UYZIZPOSALHZEY-OAHLLOKOSA-N 283.456 3.747 30 20 CHED N#Cc1cccc(CNC(=O)C2CCCCCCC2)c1 86579718 YZPOXHXROHUGFY-UHFFFAOYSA-N 270.376 3.535 30 20 CHED C#CCN(C(=O)c1ccccc1CC)C1CCCCC1 688806561 WGBHDAUCTZYLLU-UHFFFAOYSA-N 269.388 3.657 30 20 CHED Cc1nc(C#N)cc(Oc2cccc3sccc23)n1 707704873 WBBWZEGFZDJBOL-UHFFFAOYSA-N 267.313 3.664 30 20 CHED CC[C@H](C)CN(CC)c1nc(Cl)c(C#N)s1 309444898 OWNIBPKRMSZIGJ-QMMMGPOBSA-N 257.790 3.541 30 20 CHED N#Cc1ccc(CNc2ccccc2OCC2CC2)o1 174424268 KPNARXVUOWYGEK-UHFFFAOYSA-N 268.316 3.552 30 20 CHED Cc1nc(CSCc2ccc(F)cc2C#N)cs1 105636633 DPVGAIQYCOGBQR-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C=CC[C@H](C)NCc1ccc(OC(F)(F)F)cc1 116926967 LIWAGFYFIDXOBH-JTQLQIEISA-N 259.271 3.639 30 20 CHED Cc1ccc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 22528564 AWSOOXSXGBKODU-CZUORRHYSA-N 290.432 3.530 30 20 CHED C=CCN[C@H](c1ccccc1OC(F)F)C(F)(F)F 179902254 HHVDTODJVREGOG-SNVBAGLBSA-N 281.224 3.667 30 20 CHED CCO[C@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 178637219 RKLIRPSUSTWIKO-KRWDZBQOSA-N 294.354 3.583 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1ccccc1SCCC#N 171942484 PJXDWJSGDOAWTM-GFCCVEGCSA-N 276.405 3.923 30 20 CHED CCc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1 111691028 UMMGBLRGZQUSSM-KHPPLWFESA-N 252.313 3.851 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(Cl)c(F)c1 117001434 JCQQWKYYHVFAQZ-QMMMGPOBSA-N 256.708 3.565 30 20 CHED Cc1ccc2cc(C(=O)O[C@H](C)C(C)(C)C#N)ccc2n1 179242239 WGIVQPIMVJSTFE-GFCCVEGCSA-N 282.343 3.638 30 20 CHED COc1ccc(N/C(N)=N/CC(C)(C)C2CCCC2)cc1 305247108 HDIJOZNZIYRNBI-UHFFFAOYSA-N 289.423 3.638 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(COC)c1 25336120 IKVJFNAIAFADHQ-UHFFFAOYSA-N 297.354 3.650 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2cc(C#N)cs2)cc1 176932426 SSFIVFVRDSEZFP-UHFFFAOYSA-N 295.367 3.673 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1cccc(C#N)c1 170954638 UIELDCLEZLCOOU-AWEZNQCLSA-N 262.356 3.678 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2cc(C)ccc2OC)c1C 60370922 AXUNFLLPOCZMKX-CMDGGOBGSA-N 298.386 3.733 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC[C@H]1CCCCO1 110718702 CQUPFLVAAAJLAY-MRXNPFEDSA-N 294.439 3.514 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(O)c(Cl)c1 171881533 ARGRVOWGEBNVIN-VMPITWQZSA-N 298.729 3.569 30 20 CHED CCc1c(C)sc(NC(=O)c2ccsc2)c1C#N 68677842 SSIGNQVBRAWLKX-UHFFFAOYSA-N 276.386 3.804 30 20 CHED CCCc1nc(CO/N=C/c2ccc(C(C)C)cc2)no1 67097302 YHKILYGOXCAZEK-LICLKQGHSA-N 287.363 3.696 30 20 CHED CC(C)c1cccc(C(=O)Nc2cccc(CC#N)c2)n1 1272972980 DWYJQCZGHOACNE-UHFFFAOYSA-N 279.343 3.523 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 301963704 JDDXXGIVMUHYMW-OOVXXXAESA-N 298.777 3.811 30 20 CHED CC[C@@H](CC(=O)NCCCCC#N)c1ccc(C)cc1 172411815 VLBBCOZFJLYRQG-HNNXBMFYSA-N 272.392 3.689 30 20 CHED N#Cc1cccc(/C=C2\Cc3cc(F)ccc3C2=O)c1 114992225 LYTTWUAMGQESIU-VGOFMYFVSA-N 263.271 3.520 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1csc2ccccc12 176777800 SLSSTLSCWHABOF-GFCCVEGCSA-N 259.330 3.606 30 20 CHED C#CCCCCC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 119614117 RVZWZVHHNPSIHF-HNNXBMFYSA-N 287.403 3.911 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCC(C)(O)CC1 177469001 HCDDCKGUVPGOGR-OAHLLOKOSA-N 298.471 3.539 30 20 CHED N#CC[C@H](C(=O)Nc1ccc(F)cc1F)c1ccccc1 1355157530 ZIJVLMVYFVBURZ-ZDUSSCGKSA-N 286.281 3.601 30 20 CHED CN(CC1(c2ccccc2)CC1)c1c(C#N)cccc1C#N 302905026 VOMGTRVQSSRJOL-UHFFFAOYSA-N 287.366 3.598 30 20 CHED CC(C)CC[C@H]1CCCCN1c1ncccc1C#N 301680120 URUWNSPZKKUVTK-OAHLLOKOSA-N 257.381 3.748 30 20 CHED C[C@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 301422892 CQOBPCJUQQAQLO-YOEHRIQHSA-N 277.371 3.583 30 20 CHED CC#CCCCC(=O)N1CCCCC[C@@H]1CC(C)C 185648215 BORWQYTZUIWTNR-MRXNPFEDSA-N 263.425 3.997 30 20 CHED Cc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c(C)c1 33178844 OMRHOXXQZPNYDX-CQSZACIVSA-N 278.355 3.666 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)c1ccccn1)c1ccccc1 187466170 OKFLBISIEGLVCQ-ZBFHGGJFSA-N 280.371 3.619 30 20 CHED Cc1c(C#N)cccc1NCc1ccn(-c2ccccc2)n1 180617104 XXFJGFPXNFOMCK-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C#CCC(C)(C)C(=O)N1CC=C(c2cccc(C)c2)CC1 185983018 MNSGZDVGJBPPOI-UHFFFAOYSA-N 281.399 3.660 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(OCCCC)c1 181638239 ZVVSSHFMUYMOIF-UHFFFAOYSA-N 276.380 3.905 30 20 CHED C=CCN(Cc1cccs1)[C@H](C)c1nnc(C)s1 411143862 ZLZBNOYRULVDRO-SNVBAGLBSA-N 279.434 3.657 30 20 CHED C[C@H](SCCn1cc(Cl)cn1)c1cccc(C#N)c1 419462540 JQCFDBSTNRTKTM-NSHDSACASA-N 291.807 3.903 30 20 CHED C=CCC[C@H](C(=O)N(C)CC(=C)C)c1ccccc1 189012149 RVHLUZSXGVGSIV-INIZCTEOSA-N 257.377 3.771 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(Cl)cc(Cl)c1 155437965 ADHWQBYEFVNRAY-SNVBAGLBSA-N 286.162 3.807 30 20 CHED CCSc1cccc(/C=C/C(=O)c2cn(C)nc2C)c1 184756985 FLOKAMJAPZRDIR-CMDGGOBGSA-N 286.400 3.737 30 20 CHED CC(C)(CC#N)CN[C@@H](c1ccccc1)c1ccccn1 414167704 POGLMEVMHPXHQT-KRWDZBQOSA-N 279.387 3.700 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@H]1CCC[C@H]1C 184772236 VHSMWPDSXJWMEK-YPMHNXCESA-N 256.349 3.632 30 20 CHED Cc1ccc([S@](=O)CCC2(C#N)CCCCC2)cc1 414236848 VUUPDNPBEHMWLV-LJQANCHMSA-N 275.417 3.967 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1C(F)(F)F 75244816 UXGMSSROCIGWES-UHFFFAOYSA-N 269.266 3.520 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1csc2ccccc12 128092530 UUGHPKZKTGVRFI-LLVKDONJSA-N 274.389 3.617 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(OCC(C)C)c1 181597761 JOEKLEUZDLGWIW-UHFFFAOYSA-N 276.380 3.761 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCCC3)c(F)c2)C1 185728113 YGMNZBQCKMSJQQ-UONOGXRCSA-N 287.382 3.920 30 20 CHED C=C(C)CN1CCC[C@H](c2nc3ccccc3o2)C1 373939420 RWAHUIAQLPHKFX-ZDUSSCGKSA-N 256.349 3.583 30 20 CHED Cc1sc(NC(=O)C2(C#N)CCCCC2)c(C#N)c1C 335341744 DTVWOVMONXILBK-UHFFFAOYSA-N 287.388 3.649 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(C)ccc2O)c1OC 211459067 WIOKSTITXDDBJW-NTMALXAHSA-N 298.338 3.614 30 20 CHED C=C(C)CCc1noc([C@@H]2Cc3ccccc3S2)n1 508639153 UVCCVLVTYGEONA-ZDUSSCGKSA-N 272.373 3.968 30 20 CHED C[C@H](NC(=O)c1cccc(F)c1C#N)[C@H](C)c1ccccc1 188412467 VPQRSCPUUCIPDP-STQMWFEESA-N 296.345 3.619 30 20 CHED CCOC1CC(CSCc2ccc(F)cc2C#N)C1 507115596 KOZPJOMMPCCIAZ-UHFFFAOYSA-N 279.380 3.746 30 20 CHED COc1cc(/C=C\C(=O)c2cc(C)ccc2OC)ccc1O 216718800 SONCVBLIPRQHFM-ALCCZGGFSA-N 298.338 3.614 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cccc(C2CC2)c1 412319535 TVGQVTJWVYQHOC-MRXNPFEDSA-N 257.377 3.577 30 20 CHED C[C@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CCC1 418137222 DKZVUXDPYHYIJB-GFCCVEGCSA-N 296.336 3.920 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](CC)c1ccc(OC)cc1 130385302 SFHYBLPVBUSGGX-OAHLLOKOSA-N 287.403 3.780 30 20 CHED C=CCCC(=O)N[C@@]1(c2cccc(C)c2)C[C@@H]1CC 501593796 MSSRTWZPYLUZMS-YOEHRIQHSA-N 257.377 3.703 30 20 CHED Cc1nc(Sc2ccc(C#N)cc2[N+](=O)[O-])sc1C 78447361 GIMOXMUHCXOFKL-UHFFFAOYSA-N 291.357 3.691 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)CCc1ccccc1F 410826224 HTRCWZVIXUZZFT-UKRRQHHQSA-N 290.382 3.545 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC[C@H](SC)C1 181117401 ZIUSPCIKMPLPJP-KBPBESRZSA-N 284.469 3.658 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(C)c1 45052909 GJOHDBFRMBDCKF-UHFFFAOYSA-N 267.328 3.812 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccc(F)cc1Cl 185614454 OUHWNMWOPXIPOA-NSHDSACASA-N 281.758 3.850 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cccnc1 414302082 MMOVEQAJWZIDNI-QAPCUYQASA-N 266.388 3.920 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(CCC(F)(F)F)cc1 130382366 TUTWZXJQGCKGDE-UHFFFAOYSA-N 297.320 3.996 30 20 CHED C=C(CC)CN[C@@H](c1ccc(OC)cc1)C(F)(F)F 505993478 SRGGMTOYGMLLGG-ZDUSSCGKSA-N 273.298 3.854 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1)CCCN2 415888847 ULRQVLZWJHNOGC-CYBMUJFWSA-N 287.407 3.911 30 20 CHED Cc1cccc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 40696089 IFJNFVPYUSYNCZ-CYBMUJFWSA-N 296.395 3.986 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccnc(C)c1 527541065 YWQRVGYAIIWNQN-UHFFFAOYSA-N 266.388 3.968 30 20 CHED CCCCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 49866437 JLAZHHIEVDVRFF-OAHLLOKOSA-N 272.392 3.855 30 20 CHED Cc1c(Cl)cccc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 192785645 LCLKCVAKVGGUQM-MEDUHNTESA-N 290.794 3.851 30 20 CHED Cc1cccc2c1CN(Cc1ccc(F)cc1C#N)CC2 429574309 QESOLKYULGFIGH-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CCCCCCCOc1ccc(-n2cncn2)cc1 223931825 SUQNRUKSMFXYTO-UHFFFAOYSA-N 259.353 3.617 30 20 CHED C[C@@H]1CCCC[C@@H]1C/N=C(/O)C[C@@H]1CCCC(O)=N1 329677906 WUACOIIYOUJKDN-UPJWGTAASA-N 266.385 3.668 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 519801251 DIJVOWRLWACTSZ-KMFMINBZSA-N 276.424 3.791 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(C#N)cc1 42099800 QMGBFLPDVPSIRB-LLVKDONJSA-N 292.298 3.511 30 20 CHED C[C@@H]1CCN(CCC(C)(C)C#N)CCN1Cc1ccccc1 131741532 IESXAPGFUQIPMN-QGZVFWFLSA-N 299.462 3.523 30 20 CHED N#Cc1ccc(NC(=O)NC2(c3ccccc3)CCC2)cc1 47274786 FDCGWVNKHNIGQH-UHFFFAOYSA-N 291.354 3.759 30 20 CHED C=CCCCCCN(C)CC1CCC2(CC1)OCCO2 190245456 QLUDOFFVRNLOSC-UHFFFAOYSA-N 281.440 3.598 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC(C)(C)[C@@H]2C2CC2)c1 333710587 SVKNBMSLNYRKBN-HNNXBMFYSA-N 283.375 3.519 30 20 CHED C[C@H]1CCN(C(=O)CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 335709124 TYVWDOLSRHUUFI-HZMBPMFUSA-N 296.292 3.529 30 20 CHED N#Cc1csc(C(=O)Nc2ccccc2C(F)(F)F)c1 84057926 KYPQIRDKWGTUFM-UHFFFAOYSA-N 296.273 3.891 30 20 CHED CCc1noc(C)c1CN(C)[C@H](C)c1cccc(C#N)c1 425530323 DVZXZUSQHRFPGT-GFCCVEGCSA-N 283.375 3.610 30 20 CHED C=CCC1(C(=O)Nc2cnn(-c3ccccc3)c2)CCC1 190247227 COVAXRMQYKZCGT-UHFFFAOYSA-N 281.359 3.557 30 20 CHED C#CCOc1ccc(CNCc2ccccc2CC)cc1 237006373 SEPXUUZNHZSBAC-UHFFFAOYSA-N 279.383 3.551 30 20 CHED COc1ccc(/C=C2/C(=O)c3ccccc3C2(C)C)cc1O 194581455 UODQAGMIXYCCIA-GDNBJRDFSA-N 294.350 3.958 30 20 CHED CCc1c(/C(O)=N/[C@H]2CC[C@H](C)CC2)[nH]c(C)c1C(C)=O 330699112 GWTHYKYDSWWVQI-MJHDQNEOSA-N 290.407 3.971 30 20 CHED COc1cc(C#N)ccc1CNc1cccc2cc[nH]c12 515194384 XGFUVYBAXPLODU-UHFFFAOYSA-N 277.327 3.660 30 20 CHED Cc1c(N[C@@H](C)c2cccc(C#N)c2)cnn1CC(C)C 143010722 QQNIPNJOZVMMTD-ZDUSSCGKSA-N 282.391 3.892 30 20 CHED CC(C)Cc1ccc(CN2CCC(F)(C#N)CC2)cc1 510905430 PPFBPBHLTZDKFA-UHFFFAOYSA-N 274.383 3.713 30 20 CHED C=CCN(Cc1cccs1)Cc1ccnn1C(C)C 337139021 RLXQYQPVDCUWCT-UHFFFAOYSA-N 275.421 3.714 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](C)OCCC(C)C 148126638 UTURLXMUOALWCK-INIZCTEOSA-N 289.419 3.652 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)[C@H](C)C1CCCCC1 512730135 PJWWPWLWJZPCJQ-PBHICJAKSA-N 281.440 3.642 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(C(F)F)ccc1Cl 336190194 QDEUTFXKXRWCJS-WPPNPWJKSA-N 284.693 3.766 30 20 CHED Cc1cccc2c(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)coc12 332358860 WDSNMKIWPOQZOP-SGTLLEGYSA-N 296.370 3.944 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NCc1cc(C#N)cs1 237644611 XOUZUDBCSKNZOB-RISCZKNCSA-N 262.422 3.924 30 20 CHED Cc1cccc(NC(=O)CC(C)(C)C#N)c1Br 336087751 FRAKFGYNSUUTRK-UHFFFAOYSA-N 295.180 3.636 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(C(F)(F)F)cc1 435747282 GFSOMXSGVLPXDX-ZFWWWQNUSA-N 299.336 3.776 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(O[C@H](C)C#N)cc2)C1 237356175 FNNIEZMUWKRDBE-FMKPAKJESA-N 272.392 3.646 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)c1ccncc1F)c1ccccc1 338194985 MPUPYMSCBFLYFO-XJKSGUPXSA-N 298.361 3.758 30 20 CHED C=CCN(CCC#N)Cc1cc(Cl)cc(Cl)c1OC 430112693 YVVLOGGQOOZZOW-UHFFFAOYSA-N 299.201 3.904 30 20 CHED Cc1cccc([C@H]2CCCCN2C(=O)[C@H](C)C#N)c1C 336347821 SVCZISGUKJYYTM-CZUORRHYSA-N 270.376 3.517 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCC[C@H](SCC)C1)OCC 339377583 KVNWKIMDIRFFPB-ILXRZTDVSA-N 299.480 3.538 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)N(CCC#N)C(C)C 522585867 ZARGQTYXAGLNLP-UHFFFAOYSA-N 293.436 3.513 30 20 CHED C=CCOCCCN(C)Cc1ccc(F)cc1Cl 348031739 KNKYTLAIDXHVID-UHFFFAOYSA-N 271.763 3.504 30 20 CHED Cc1cscc1-c1noc(Cc2c(F)cccc2C#N)n1 521941449 QRUZFGOYOHNKQJ-UHFFFAOYSA-N 299.330 3.708 30 20 CHED CCc1ccc([C@@H]2CCN(c3ncccc3C#N)C2)cc1 431476965 ZDPBZODRQSEMBA-QGZVFWFLSA-N 277.371 3.510 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(Cl)cc1C 435747524 IZNCYLYIVJFGGA-ZBFHGGJFSA-N 279.811 3.719 30 20 CHED CCCN(CCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 342604418 YHULXGNIMYNZKM-LJQANCHMSA-N 299.462 3.667 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCCC(C)(C)[C@H]1C#N 434013368 CAMHWWWBOSJSGE-ZIAGYGMSSA-N 278.440 3.990 30 20 CHED Cc1ccccc1-n1ccnc1S[C@@H]1CC[C@@H](C#N)C1 430120694 MKKOXEBENUZDSZ-ZIAGYGMSSA-N 283.400 3.965 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc2occ(C)c2c1 436116420 VLJPIJRYKLEVEB-UHFFFAOYSA-N 280.283 3.767 30 20 CHED CC[C@H](C#N)Sc1nccn1-c1cc(C)cc(C)c1 436051336 MESCACWGVKQNSF-CQSZACIVSA-N 271.389 3.883 30 20 CHED CCC(C#N)(CC)c1nc(C2(CC)CCCC2)no1 528183677 SFDVEOIRQFIFFZ-UHFFFAOYSA-N 261.369 3.873 30 20 CHED N#CCCCCCC(=O)Nc1c(F)cccc1Cl 602301995 LORPUERXHJMIQA-UHFFFAOYSA-N 268.719 3.892 30 20 CHED CC(C)c1cccnc1NC(=O)c1ccc(CC#N)cc1 340296505 AHCKZGWLFRBFEJ-UHFFFAOYSA-N 279.343 3.523 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 248954360 PYTSXPFKYASUAD-XNRPHZJLSA-N 293.432 3.639 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccnc(-c2ccccc2)c1 346883023 QPBONVLWKNQJKY-AWEZNQCLSA-N 296.370 3.668 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H](c3ccccc3)[C@@H]2C)n1 433658074 YKNCRUFGSRMCAM-RDJZCZTQSA-N 291.398 3.953 30 20 CHED CC(C)c1cnc(CN[C@H](C)c2ccc(C#N)cc2)s1 344139150 YKCXZKGUQMJZME-GFCCVEGCSA-N 285.416 3.989 30 20 CHED CC(C)c1cccc(NC(=O)N(C)CC(C)(C)C#N)c1 432638848 PZZLLYRBFDIMAO-UHFFFAOYSA-N 273.380 3.823 30 20 CHED Cc1cc(CNc2snc(C)c2C#N)ccc1Cl 342831715 OJLAWYQDMFHOJO-UHFFFAOYSA-N 277.780 3.897 30 20 CHED CCOc1cccc([C@@H]2C[C@@H]2Nc2snc(C)c2C#N)c1 342919306 UBKOPPJVDAXDMN-ZFWWWQNUSA-N 299.399 3.690 30 20 CHED C=CCN1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 523888817 BTMXBXXJLAVUNL-MRXNPFEDSA-N 289.419 3.677 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C\c1cccc(F)c1 254937057 WEPZYCPMODGLCZ-HJWRWDBZSA-N 288.366 3.818 30 20 CHED Cc1cc(C)cc(OCCOc2ccc(C#N)c(F)c2)c1 609424930 PTBDIECYDMNYDY-UHFFFAOYSA-N 285.318 3.772 30 20 CHED CC[C@@H](NC(=O)NCc1cccc(C#N)c1)C1CCCCC1 608782797 IRZPVAFODUBYIX-QGZVFWFLSA-N 299.418 3.716 30 20 CHED COc1cccc([C@@H]2CN([C@@H]3CC[C@H](C#N)C3)CC2(C)C)c1 528626785 RNTALGUMCUKQJM-LESCRADOSA-N 298.430 3.813 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(Cl)c(F)c2)ccc1F 340948787 FVIAHRHXTUGYQO-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCN(C)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 520463557 CWCYRSZWLWIJSE-UHFFFAOYSA-N 281.359 3.707 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H]2CCC[C@H]21 342866617 GINTZGFRPDGEAA-JKSUJKDBSA-N 279.424 3.541 30 20 CHED C=C[C@@H]1OCC[C@H]1NC[C@@H](C)c1ccc(C(F)(F)F)cc1 449520401 PHRJUYZLODPKQO-DFBGVHRSSA-N 299.336 3.742 30 20 CHED C=C1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 524242159 CYIQKLFZJVLMOD-UHFFFAOYSA-N 277.795 3.796 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCC(C)(C)C1(O)CCCC1 449735216 GFNTUNHRADOYEG-ZIAGYGMSSA-N 253.430 3.508 30 20 CHED CCC(C#N)(CC)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 528915567 UCBGECQFTDTEPL-AWEZNQCLSA-N 291.354 3.741 30 20 CHED C=CCn1c(C)nnc1N(C)[C@@H](C)c1cccc(Cl)c1 350622609 CMVUQPBVGIULNV-NSHDSACASA-N 290.798 3.623 30 20 CHED C=CCCC(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 604736500 SUIOCBFQZOXTKW-AWEZNQCLSA-N 265.784 3.744 30 20 CHED CC(C)[C@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 355105371 OTSGLBQLINQSIY-DLBZAZTESA-N 284.403 3.721 30 20 CHED C[C@H](CCC#N)CN(Cc1c(F)cccc1F)C1CC1 602634368 OPWYPJPRXHVRBW-GFCCVEGCSA-N 278.346 3.869 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)C[C@H](C)C1CCCCC1 600476585 PTXWMWIDEFFNJR-BBRMVZONSA-N 264.413 3.601 30 20 CHED CCOc1ccccc1[C@@H](C)NCc1ccc(C#N)cc1F 268855303 GPTRPAQCXKXRNR-CYBMUJFWSA-N 298.361 3.947 30 20 CHED CCc1cnccc1[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 353264199 XKXKJPNRAFSRGU-BFUOFWGJSA-N 291.398 3.854 30 20 CHED C[C@@H](C#N)C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 446711285 LGSNSUISYPNMGR-VIFPVBQESA-N 297.185 3.648 30 20 CHED Cc1ccc(CN(C)c2ccc(C(F)(F)F)c(C#N)n2)o1 443404951 IHSHRQCDJLALJT-UHFFFAOYSA-N 295.264 3.510 30 20 CHED C=C(CC)CSc1nnc(Cc2cccs2)o1 358554781 KPEKJAKAKRYJRI-UHFFFAOYSA-N 266.391 3.780 30 20 CHED CCC(CC)CN(CCC#N)c1nc(C(C)C)ns1 538937182 NDQVUVXFFIILAE-UHFFFAOYSA-N 280.441 3.818 30 20 CHED COc1cc(C)c([C@H](C)N2CCC[C@@](C)(C#N)C2)cc1C 614963959 PEVXBQIUXDDTNE-YJBOKZPZSA-N 286.419 3.999 30 20 CHED C[C@H]1CCC[C@@H](c2noc(C3(C#N)CCCC3)n2)C1 356229245 XWVWXPAHZXLIJK-NWDGAFQWSA-N 259.353 3.699 30 20 CHED Cc1ccc(C#N)nc1NCCc1ccc(Cl)cc1 611399148 RGSKTODLKNINPK-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C[C@H](Nc1ncc(Cl)cc1F)c1cccc(C#N)c1 610569620 ZTVHFEOVZZQSAO-VIFPVBQESA-N 275.714 3.919 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 537187539 LWEYNKNRWZXEAI-YDHLFZDLSA-N 290.407 3.947 30 20 CHED CC(C)(C)Oc1cccc(CNc2ccc(F)c(C#N)c2)n1 350484079 VYTKBUSQBDWEQU-UHFFFAOYSA-N 299.349 3.882 30 20 CHED C=C(CC)CS[C@H](C)C(=O)NC[C@H](C)c1ccccc1 539094696 BKIFAAFWGBJGHU-LSDHHAIUSA-N 291.460 3.994 30 20 CHED C=CCCCCCN(C)C(=O)CC[C@H](C)SC 536923832 GADYLMFNDSBIQK-ZDUSSCGKSA-N 257.443 3.723 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)Cc1ccsc1 532334265 CPYVBRWPOZUCQT-LBPRGKRZSA-N 263.406 3.564 30 20 CHED Cc1noc([C@@H](C)Sc2ccc(C#N)cc2Cl)n1 610704472 SEWRXQTXBRQGTJ-SSDOTTSWSA-N 279.752 3.756 30 20 CHED Cc1cccc2c(=NCc3ccccc3F)c(C#N)c[nH]c12 610211263 IEMHJCROGHUFHJ-UHFFFAOYSA-N 291.329 3.588 30 20 CHED CC(C)(CCC#N)CNCCCCc1ccccc1 610270652 DZNZQZFXSZSWTM-UHFFFAOYSA-N 258.409 3.929 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1(C)C 610502079 WAYBIBJXOISNIX-OWCLPIDISA-N 288.435 3.813 30 20 CHED COCCCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 363578143 ZGGRAVVOWGSZOI-MSOLQXFVSA-N 286.419 3.575 30 20 CHED CC[C@@H](Nc1nccc(C#N)n1)C(C)(C)c1ccccc1 450375551 HCVNKYPEUAUVNE-OAHLLOKOSA-N 280.375 3.517 30 20 CHED CC(C)c1ccc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)cc1 453089881 OVMINGARIDGVOH-ZBEGNZNMSA-N 267.332 3.661 30 20 CHED N#Cc1cccc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)n1 270009033 ACTSBFRAGPKDNN-WMLDXEAASA-N 293.370 3.533 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H](C(C)(C)C)C2)c1C#N 543198210 YRDHAAMQHQZRFW-LLVKDONJSA-N 277.799 3.788 30 20 CHED C=CCOCCN(Cc1ccc(F)cc1)C(C)(C)C 549866128 NOFZZXQVGHYMNZ-UHFFFAOYSA-N 265.372 3.629 30 20 CHED CC#CCN(C)C(=O)N[C@H](c1ccccc1)C1CCCC1 457887919 RHSIXFVQKKUGSA-QGZVFWFLSA-N 284.403 3.583 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1cc2ccccc2o1 278585337 SLCZPXJOULFZTC-SUYBPPKGSA-N 299.370 3.591 30 20 CHED CC[C@H](NC[C@H](O)c1ccccc1C)c1ccc(C#N)cc1 278837368 UOSICAHXIRKEPQ-OALUTQOASA-N 294.398 3.641 30 20 CHED C=CCCN(C)C(=O)N[C@H](CCC)c1ccccc1 276163561 RSWIFKXFHANDFC-OAHLLOKOSA-N 260.381 3.745 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CC[C@H](C)c2ccccc21 453350128 IWLDXDRWRKYUCM-SJWGOKEGSA-N 257.377 3.558 30 20 CHED C=CCCN(C)C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C 459217494 XZVCFDYSMAJLLG-HZPDHXFCSA-N 286.419 3.644 30 20 CHED C=C(CC)CNC(=O)CCSc1ccc(C)cc1 453014938 LVMGFHMOUCBJFC-UHFFFAOYSA-N 263.406 3.560 30 20 CHED C=C(C)[C@H](NC(=O)CC(C)(F)F)c1ccc(F)c(F)c1 277404767 FXZQCSDZKFLITM-ZDUSSCGKSA-N 289.272 3.744 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 459282457 BHMCGXOVNBVKHV-SQNIBIBYSA-N 298.430 3.615 30 20 CHED Cc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)o1 272283291 OZLDSFUUTLTMEM-CYBMUJFWSA-N 266.344 3.800 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(CC#N)c1 455902681 HAUGKPHWLPRRLW-ZDUSSCGKSA-N 271.364 3.619 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1ccc(F)c2ccccc12 451788121 NZNMKHOUIWBIDP-SOZUMNATSA-N 296.345 3.706 30 20 CHED C=CCCOCC(=O)N(CCCC)[C@@H](C)c1ccccc1 620327846 FVALEODLKOLEBV-INIZCTEOSA-N 289.419 3.969 30 20 CHED C[C@@H](N[C@H](CCO)C1CCCCC1)c1cccc(C#N)c1 271817269 BVYWIVVRZQVLSM-RDTXWAMCSA-N 286.419 3.540 30 20 CHED C=CCC[C@H](C(=O)OCc1cncs1)c1ccccc1 275003034 DHOOHUQRDYGBEI-HNNXBMFYSA-N 287.384 3.936 30 20 CHED N#Cc1ccc(SCc2ccc3ncccc3c2)nc1 547435265 PEZCWUWAGMZGAV-UHFFFAOYSA-N 277.352 3.794 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 276301039 LONGRPFLVKKWOC-UHFFFAOYSA-N 293.386 3.710 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cc2ccccc2o1 620861358 MQQOVXOQYGTJEH-UHFFFAOYSA-N 271.360 3.836 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 279673427 GDRJZSLGOBRAEN-KHYOSLBOSA-N 294.398 3.985 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(Cc2ccccc2)CCC1 466540641 GDLCHTAPNIHGSW-MRXNPFEDSA-N 271.404 3.870 30 20 CHED C=CCCO[C@H](C)C(=O)NCC[C@H](C)CC(C)(C)C 468104151 WGHOIIBPKNFKKO-UONOGXRCSA-N 269.429 3.546 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCC#N 273142453 VWXQZNKWYJCMAB-IRXDYDNUSA-N 299.418 3.658 30 20 CHED C[C@H](C#N)CNCc1c(OC(F)F)ccc2ccccc12 543623293 DNAIDBUANSETFZ-LLVKDONJSA-N 290.313 3.690 30 20 CHED N#Cc1cccc(CCN[C@H](c2ccccc2)C2CC2)c1 467449520 QAOVOQAADWNIGY-LJQANCHMSA-N 276.383 3.842 30 20 CHED CC(C)Cn1ncc(N[C@H]2CC[C@H](C#N)C2)c1C1CC1 554117281 DOQBHWCMYWOBBR-JSGCOSHPSA-N 272.396 3.521 30 20 CHED CCOC(=O)/C=C/c1ccc(NCCC(C)(C)C#N)cc1 288729481 NIDFVLZQIQVHGS-JXMROGBWSA-N 286.375 3.615 30 20 CHED CCC[C@H](C)C(=O)Nc1cc(C#N)ccc1NC1CC1 281223779 RRGCYGYEDWYXBS-NSHDSACASA-N 271.364 3.507 30 20 CHED C=CCOc1cccc(CN2CCC(F)(F)[C@@H](C)C2)c1 555099230 KZFWXHRKXUTLRO-ZDUSSCGKSA-N 281.346 3.729 30 20 CHED C=C(C)CCc1noc([C@H]2CCCc3c(O)cccc32)n1 289079215 JMTPTBRKKGFHQA-AWEZNQCLSA-N 284.359 3.752 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 550908382 FJOGDQALQNQBIU-KBPBESRZSA-N 281.440 3.546 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(N2CCOCC2)c1 467408472 WUXBWTVMKDTMAH-DOTOQJQBSA-N 288.435 3.529 30 20 CHED C[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 638900541 QISSRDKKYZKWQH-BXUZGUMPSA-N 299.361 3.541 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(O[C@@H](C)CC)c1 465156481 MDAZRXQBUUXYKF-NEPJUHHUSA-N 262.353 3.560 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCc2ccccc2C1 466382696 HYNYWPAEMRULKR-DLBZAZTESA-N 286.419 3.540 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)c(C)o1 556836066 WLZQBRXQZCPVCR-MRXNPFEDSA-N 283.371 3.814 30 20 CHED C=CCOc1cccc(NC(=O)N(CC)CCC)c1 299429132 PQXZCGOVYLCFRK-UHFFFAOYSA-N 262.353 3.515 30 20 CHED CC[C@H](CC(F)(F)F)Nc1nc(Cl)c(C#N)s1 804613884 PHFGDPHVCQBXOC-RXMQYKEDSA-N 283.706 3.811 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1OC 475440565 WPDYODXVYNVXGW-ZIAGYGMSSA-N 286.375 3.722 30 20 CHED CC1(C)CN(CC#Cc2ccc(F)cc2)[C@H]2CCC[C@@H]21 550433080 DDSLQFWRMJJXTL-IRXDYDNUSA-N 271.379 3.688 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1-c1cccs1 806178290 RJAPRXBGDMUNQU-LBPRGKRZSA-N 284.384 3.948 30 20 CHED C(=NNc1nccnc1C1CCC1)[C@@H]1CCc2ccccc21 807994562 VBXNZSPWEQALBI-HNNXBMFYSA-N 292.386 3.872 30 20 CHED C=CCCCCCCNC(=O)Cc1ccc(F)cc1F 805218757 LMVQECTXLJLFMQ-UHFFFAOYSA-N 281.346 3.760 30 20 CHED C#CCCCc1nc(-c2ccc(C(C)C)cc2)no1 809251545 ZFEOPDQYGVUJSK-UHFFFAOYSA-N 254.333 3.816 30 20 CHED C=CCCCCCCCCNC(=O)N[C@@H]1CCCOCC1 806081509 OQBOMKLIEZHPBY-MRXNPFEDSA-N 296.455 3.771 30 20 CHED Cc1ccc2ncc(C#N)c(OCC(=O)C3CCCC3)c2c1 291675255 QOHOGWXFRATKFM-UHFFFAOYSA-N 294.354 3.553 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1ccsc1 299737332 CKGYOOCJKJUTQM-RQOWECAXSA-N 250.269 3.922 30 20 CHED CC#CCCCc1nc([C@@H]2CSc3ccccc32)no1 296585667 WIGCSOXTLVVHAC-CYBMUJFWSA-N 284.384 3.653 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(Cl)c2ncccc12)C1CC1 802105457 XYQGTQVXYLNDFR-OAHLLOKOSA-N 299.757 3.847 30 20 CHED C=C(Cl)CN1Cc2ccc(Br)cc2C1 707942362 MTINPWDKULMWJM-UHFFFAOYSA-N 272.573 3.517 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 294380857 NNKFSQGDXFHWIW-SJORKVTESA-N 284.403 3.733 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[C@H](C#N)C1 471592714 GFVKTOINOUITLI-RPCCPQHDSA-N 254.377 3.592 30 20 CHED CCc1cc(Nc2ccc(C(C)(C)C#N)cc2)nc(C)n1 563992954 OAPFCYHLQGOGHJ-UHFFFAOYSA-N 280.375 3.892 30 20 CHED C[C@H](CNC(=O)C1(C#N)CCCCC1)c1ccc(F)cc1 299137530 QUBMFOLYWHMSGJ-CYBMUJFWSA-N 288.366 3.519 30 20 CHED CC1(c2ccccc2)CCC(NC(=O)CCCC#N)CC1 291949677 QFLGQFSFASIAJW-UHFFFAOYSA-N 284.403 3.697 30 20 CHED Cc1ccc(CN2CCC(CC#N)CC2)cc1Cl 563592741 NAYUGBZGSTUNQX-UHFFFAOYSA-N 262.784 3.774 30 20 CHED C[C@H]1CC[C@@H](OC(=O)c2cc(C#N)ccc2Cl)C1 808709446 BGPMRYGXTUQBLD-GXSJLCMTSA-N 263.724 3.557 30 20 CHED C[C@@H](NC(=O)[C@H]1CCCCC1(F)F)c1ccc(C#N)cc1 294472637 SXJPGLKVGHOLDK-BXUZGUMPSA-N 292.329 3.561 30 20 CHED CC(C)(C)c1ccc(C(=O)NCc2ccc(C#N)cc2)s1 477207272 QPTPSWXNCPFODK-UHFFFAOYSA-N 298.411 3.847 30 20 CHED CC(C)C(C)(C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 569216143 SMSSMDHODMGTOH-MRXNPFEDSA-N 299.418 3.669 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OC2CCCCC2)c1 807917010 HPTSJFYGWAHQFC-UHFFFAOYSA-N 263.724 3.701 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2c(C)cccc21 569782797 ZSXJYPXANFGOKF-RHSMWYFYSA-N 284.403 3.732 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1cccc(-c2ccccc2)c1 561677727 YRLYZZMADNDQNS-GOSISDBHSA-N 281.355 3.619 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCCC1CC1 643164626 BFSZAZJCYSIEBB-UHFFFAOYSA-N 275.367 3.921 30 20 CHED C=CCCOCCCCC(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C 482682665 WMSXYWGPXFAPLD-BBWFWOEESA-N 295.467 3.938 30 20 CHED CCCC(=NNc1c(F)cccc1F)c1ccccn1 814852572 FYLFEMCMWNUTTA-UHFFFAOYSA-N 275.302 3.976 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1ccccc1 489966636 PVJXQGKPTICNFG-AWEZNQCLSA-N 259.393 3.584 30 20 CHED C=CCC1(C(=O)Nc2ccc3nc(C)nn3c2)CCCCC1 560663119 BLNMPPHXWYRRJR-UHFFFAOYSA-N 298.390 3.503 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3c(C)cccc32)CCC1 562312658 LSEZHGZMNXXVQO-INIZCTEOSA-N 269.388 3.845 30 20 CHED C=C(C)CN(C)C(=O)C1(c2ccc(OC)cc2)CCCC1 482299493 DEQKABOUZPVJQJ-UHFFFAOYSA-N 287.403 3.542 30 20 CHED C=CC[C@H](Cc1ccccc1)NC[C@H](O)c1ccc(F)cc1 819367783 JVYUKSDFCABHDF-MOPGFXCFSA-N 299.389 3.636 30 20 CHED C#C[C@@H](Nc1nc(C2CC2)ns1)c1ccc(Cl)cc1 811861723 MOGHHIJCBNWTOW-GFCCVEGCSA-N 289.791 3.855 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 488540106 GOMRESTURZCIQP-AWEZNQCLSA-N 290.382 3.681 30 20 CHED C=CCC1(C(=O)N2Cc3cc(F)c(F)cc3C2)CCCC1 654171664 MXXXHVIOOYGKOE-UHFFFAOYSA-N 291.341 3.944 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)N[C@]2(C#N)CC2(C)C)cc1 813303304 MEBGVYKRWALFOT-POGDKVGISA-N 296.414 3.806 30 20 CHED Brc1cnn(N=C2CCC3(CCCC3)CC2)c1 811645436 LULBQHDOTDINHM-UHFFFAOYSA-N 296.212 3.984 30 20 CHED C=C(C)CCNC(=O)[C@H](C)c1ccccc1C(F)(F)F 650930224 XQQFYDFAZLFFTG-LLVKDONJSA-N 285.309 3.891 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C)c1ccccc1 489014748 PFXRRZWAKRNLMN-VYDXJSESSA-N 271.404 3.993 30 20 CHED COC(=O)c1ccc(SCC#Cc2ccccc2)cc1 578936472 IHBPFXMZTFZDCZ-UHFFFAOYSA-N 282.364 3.617 30 20 CHED C(=NNCCc1ccncc1)c1ccc(C2CCC2)cc1 814924849 DYEBHTHUPCWTBO-UHFFFAOYSA-N 279.387 3.515 30 20 CHED C=CCCCC(=O)Nc1ccc(-n2cccn2)c(Cl)c1 480900947 SPPBOKXDBRXGRF-UHFFFAOYSA-N 289.766 3.821 30 20 CHED CC(=NOC1CCC1)c1ccc(F)cc1Br 812237286 SHJKYPZXUAZHJU-UHFFFAOYSA-N 286.144 3.881 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2nc3ccccc3[nH]2)CS1 814709343 ZYSYDZDPOVWZGY-CYBMUJFWSA-N 288.420 3.882 30 20 CHED C#CCCc1noc(-c2nc3ccccc3cc2Cl)n1 810290456 STMLWRIBQSJTKA-UHFFFAOYSA-N 283.718 3.504 30 20 CHED CCc1nc(SCc2ccc(C#N)c(C)c2)nc(O)c1C 570699258 SYASOZBYEUWHKC-UHFFFAOYSA-N 299.399 3.525 30 20 CHED C=CCN(C)C(=O)[C@H](C)c1cccc(CC(C)C)c1 574830297 LUFPBBJKTXLMJR-CQSZACIVSA-N 259.393 3.633 30 20 CHED C=CCC1(NCc2ccc(C)cc2C)CCOCC1 657632494 INGWSGMKBJQZLV-UHFFFAOYSA-N 259.393 3.518 30 20 CHED CC#CCN(C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 570121574 KFWIDOZIUGANBV-OLZOCXBDSA-N 296.197 3.579 30 20 CHED CC(C)(C)CCNC(=S)Nc1ccc(C#N)c(Cl)c1 726457866 RFDJVZURQLTZBC-UHFFFAOYSA-N 295.839 3.934 30 20 CHED C=CCCOC(=O)CCc1ccccc1Br 729072575 ONMSZVMWBRDPBT-UHFFFAOYSA-N 283.165 3.501 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cc(Cl)ccc1Cl 497485013 GMHSFTQVOQHNNE-UHFFFAOYSA-N 286.202 3.961 30 20 CHED C[C@]1(COc2ccc(C#N)cc2F)CC1(Cl)Cl 829345714 RHBJVJFCLOWQRD-LLVKDONJSA-N 274.122 3.660 30 20 CHED C=CCC1(NC(=O)Nc2cccc(COC)c2)CCCC1 665500989 ZQWIVNGRPZHBHR-UHFFFAOYSA-N 288.391 3.843 30 20 CHED C=CCOCCCNC1(c2ccc(Cl)cc2)CCC1 573585397 TZNRAHHMYCJZDO-UHFFFAOYSA-N 279.811 3.902 30 20 CHED C=CCC1(CN[C@@H](C)C[C@@H]2CCOC2)CCCC1 825079459 UZLZZGPMGWPASZ-GJZGRUSLSA-N 251.414 3.528 30 20 CHED C#Cc1cccc(NC(=S)NCc2ccc(F)c(C)c2)c1 726450973 KVAFSZWAEWOOMO-UHFFFAOYSA-N 298.386 3.602 30 20 CHED CC(C)(C#N)c1ccccc1CNc1ccc(C(=O)O)cc1 826081394 RCICLMDTWZMTSE-UHFFFAOYSA-N 294.354 3.798 30 20 CHED Cc1cc([C@H](C#N)C(=O)C[C@H](C)C2CCCCC2)nc(C)n1 726320385 QAZJVUCUARHIIE-LRDDRELGSA-N 299.418 3.876 30 20 CHED Cc1cc(C)c(C=Nn2cnc3ccccc32)cc1C 725849058 SYCUDFCQBINXDQ-UHFFFAOYSA-N 263.344 3.844 30 20 CHED COc1cc(C)c(OC(=O)CCCCCC#N)c(C)c1 824109147 XCZMNGVNCNPLMU-UHFFFAOYSA-N 275.348 3.692 30 20 CHED C=CCCCCCNc1cccc([S@](C)(=O)=NC)c1 902142713 BIZZGOCTEXIQNQ-IBGZPJMESA-N 280.437 3.931 30 20 CHED C=CCCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)O 736098046 QCUCFWGMCMUOJT-UHFFFAOYSA-N 281.377 3.649 30 20 CHED Cc1nc(C#N)c(NN=C2CCC[C@@H]2c2ccccc2)o1 732528622 RQOOIXQCUFJLMF-CYBMUJFWSA-N 280.331 3.590 30 20 CHED C#CC[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)c1ccccc1 827395234 FVJVSGRQWFWXPJ-TZMCWYRMSA-N 297.320 3.846 30 20 CHED C=C(C)COC(=O)c1cccc(Oc2nccs2)c1 736924264 HLYQAMZXSOHLIO-UHFFFAOYSA-N 275.329 3.668 30 20 CHED CC(=O)c1ccc2c(c1)CN(Cc1ccc(C#N)cc1C)C2 665061568 CCVDJSDIWFJICO-UHFFFAOYSA-N 290.366 3.585 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CCSC1 494922520 OIUUGQLWVLHOAV-INIZCTEOSA-N 274.433 3.522 30 20 CHED C=CCN(Cc1nc(CCc2ccccc2)no1)C(C)(C)C 661756332 KNDXVZDWEZDYEL-UHFFFAOYSA-N 299.418 3.641 30 20 CHED C=CCN(Cc1ccoc1C(=O)O)CC1CCCCC1 583877789 YCJCYBFGOHZKSY-UHFFFAOYSA-N 277.364 3.546 30 20 CHED CCc1noc(-c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1 731793581 XXNACQDCBCQJIT-UHFFFAOYSA-N 292.342 3.578 30 20 CHED C=CCC[C@H](NC/C=C/c1cc(C)c(C)cc1C)C(=O)O 901690251 LSTMFCVZUKBYIF-OZSKJFCKSA-N 287.403 3.634 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2c(C)ccc(C)c2s1 588345803 MCKKSONIVQQRFY-HNNXBMFYSA-N 287.388 3.792 30 20 CHED N#CC1(CCCCOC(=O)c2cc3ncccc3o2)CCC1 909503631 WNFNKBGZRYUGQR-UHFFFAOYSA-N 298.342 3.849 30 20 CHED CCCCCCCC(=O)N(C)C1CCC(OC)CC1 734355506 NRFUFXBZORWVNB-UHFFFAOYSA-N 269.429 3.763 30 20 CHED COCCC1(C(=O)OCCCCC2(C#N)CCC2)CCC1 909074930 BRMWGMRGNIDGOJ-UHFFFAOYSA-N 293.407 3.601 30 20 CHED C(=NN(c1ccccc1)c1ccccc1)c1ncc[nH]1 731152336 QRIHBGGYLQNPRS-UHFFFAOYSA-N 262.316 3.582 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1sc(CC)nc1C 835177304 GDYINLHYAWNWRU-SNVBAGLBSA-N 267.394 3.830 30 20 CHED CCCCCCCCn1nc(CC)c(CC)c(C#N)c1=O 731937136 IHJBEIFRKWZIMM-UHFFFAOYSA-N 289.423 3.600 30 20 CHED CCC1(CC)CN(Cc2ccc(N(C)CCC#N)cc2)C1 839131679 CWWYFCYVROOHFZ-UHFFFAOYSA-N 285.435 3.658 30 20 CHED Cc1ccc([C@@H](C)/N=C/c2cccc(O)c2O)cc1 917559115 GPEPJEBJAKVZCI-YXHQGMJNSA-N 255.317 3.586 30 20 CHED C=CC[C@H](OC(=O)c1cnc2n1CCCC2)c1ccccc1 835324813 TYAZUHPBJRNIJP-INIZCTEOSA-N 296.370 3.694 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC(C3CCCC3)C2)cc1 839145157 ZBUJYZHXEBDMAU-CQSZACIVSA-N 284.403 3.599 30 20 CHED N#Cc1cccc(SCc2ccc(C(=O)O)c(F)c2)c1 833075897 YQWJDHGPNMIEBQ-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 839604310 BVPOPDWWLCUGIV-LSDHHAIUSA-N 299.418 3.546 30 20 CHED CCOc1ccc([S@](=O)CCCC(C)(C)C#N)cc1 747446319 MLXCIJZLWHDQEW-LJQANCHMSA-N 279.405 3.523 30 20 CHED CC#CCOC(=O)C[C@H](Cc1ccccc1)c1ccccc1 745352712 RMSDDUHYFDXFOI-IBGZPJMESA-N 292.378 3.970 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)c2ccccc12 591163791 RQHWMCXQGGDWNH-AWEZNQCLSA-N 280.371 3.816 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)C1CCC1 844622928 IUPCYSGZAUTWRH-UHFFFAOYSA-N 260.337 3.671 30 20 CHED C=C(C)CCOC(=O)CCSc1ccc(C)cc1 744303265 UEVZWWFHDHOLHV-UHFFFAOYSA-N 264.390 3.987 30 20 CHED Cc1cccc(F)c1CNc1ccc(Cl)c(C#N)n1 742419888 URGOPADGTWGDTI-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C#CC[C@H](NC1CCC(F)(F)CC1)c1ccccc1 842857333 QJRKNZQXLQXUJX-HNNXBMFYSA-N 263.331 3.919 30 20 CHED Cc1cc(C(=O)/C=C/c2ccnn2CC2CC2)cs1 849250547 UKEHAGHHRMDZJX-SNAWJCMRSA-N 272.373 3.559 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(C)(C)C#N 842741070 BSBKDFNWQRFXTQ-GRYCIOLGSA-N 251.370 3.540 30 20 CHED C=C(CNC(=O)[C@H]1C[C@H]1c1sccc1C)c1ccccc1 672478213 MCOKINDIYNEDQK-CVEARBPZSA-N 297.423 3.990 30 20 CHED COc1ccc2c(c1)C(=NNCc1ccccc1)CCC2 741838701 UUBPWFDTMJPAET-UHFFFAOYSA-N 280.371 3.525 30 20 CHED CCN(CC)c1ccc(C/N=C/c2ccccc2O)cc1 917557095 XGHYIHCWFIQUKQ-XMHGGMMESA-N 282.387 3.858 30 20 CHED C=C(C)CCOC(=O)CCC(=O)c1ccc(C)s1 744304788 DFJSCWJMSDMRIF-UHFFFAOYSA-N 266.362 3.529 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCC(C2CCCC2)CC1 682085327 RMRCDLFYAIROHZ-SFHVURJKSA-N 293.451 3.644 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)NCCc1ccc(C#N)cc1 597892675 ZXRPLDSUKUUWCI-SFHVURJKSA-N 298.430 3.823 30 20 CHED COc1ccc(C)cc1C(C)=NNc1ncccc1Cl 917546158 GKEPAVZMQSRVDV-UHFFFAOYSA-N 289.766 3.888 30 20 CHED C=CCN(CCC#N)Cc1ccc(OCCC)cc1C 597130752 VXEHIAVESUXJAB-UHFFFAOYSA-N 272.392 3.686 30 20 CHED C[C@@H](CCN1CCC[C@H](CC#N)C1)OCc1ccccc1 595623064 GCZUAHUNSZLCJO-DLBZAZTESA-N 286.419 3.607 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCCc2cccnc21 684955636 PRAFKYAVHSEBKJ-KRWDZBQOSA-N 294.398 3.814 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](C)CC(C)(C)c1ccccc1 845642415 QVVKJQBMZPLOTG-KGLIPLIRSA-N 290.407 3.548 30 20 CHED CC#CCOC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 744689479 DHQSOUZZOXOSOD-UHFFFAOYSA-N 269.344 3.646 30 20 CHED C[C@@]1(Cc2ccccc2F)CCCN1CCCCC#N 592143485 FEPYWAZBIGRCGX-KRWDZBQOSA-N 274.383 3.917 30 20 CHED Cc1ccc(-n2ncc(N[C@H]3CC[C@H](C#N)C3)c2C)cc1 593725455 LTOSCOUPFNJCJQ-GJZGRUSLSA-N 280.375 3.593 30 20 CHED CC(Cc1cccs1)=NNc1ccc(Cl)nc1 743450314 OZNVCWZQJNALEU-UHFFFAOYSA-N 265.769 3.827 30 20 CHED C=CCC1(NC(=O)NCCCCCSC)CCCC1 596577239 WHJGHYLDZHQKCI-UHFFFAOYSA-N 284.469 3.708 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1SCCc2ccccc21 925229456 GIKDBIPCJWYOMQ-CJNGLKHVSA-N 288.460 3.935 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(OC)cc1OC 743449406 VPAIMISMAUOGKD-AWEZNQCLSA-N 292.423 3.986 30 20 CHED C=C(C)CN(CC)C(=O)/C=C\Sc1ccccc1 849207530 CJELGRSBFCYFFZ-KHPPLWFESA-N 261.390 3.717 30 20 CHED FC(F)(F)c1cccnc1NN=CC1CCCC1 741848750 ZIHJJZQUISQKJK-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C=C[C@H](C)ONC(=O)CCOc1cc(C)ccc1C(C)C 846547365 KYISCKOKCAQHGJ-AWEZNQCLSA-N 291.391 3.510 30 20 CHED CC(=NNc1ncncc1Cl)[C@@H]1C[C@H]2C=C[C@H]1CC2 842531943 SXHBPWQXSUHHEJ-SRVKXCTJSA-N 276.771 3.520 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc(OC(C)(C)C)nc1 926112161 NIAHVPANYKUTSS-CYBMUJFWSA-N 289.423 3.677 30 20 CHED CC(C)CCC(=NN(C)C[C@@H](C)O)c1ccc(Cl)cc1 841651203 KRSXUQHWCLHJII-CYBMUJFWSA-N 296.842 3.793 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 924962383 DTJGQVRSQITJAC-JFIYKMOQSA-N 299.462 3.740 30 20 CHED O=C(/C=C/c1cccs1)c1cc(F)cc(F)c1O 757471878 GBVKVFUTIAQQPE-ONEGZZNKSA-N 266.268 3.628 30 20 CHED C#CCCN[C@H](C)c1cc2cccc(OCC)c2o1 920415718 DDSFDKIILRRBRT-GFCCVEGCSA-N 257.333 3.505 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNc1ncc(Cl)cn1 857220645 LBWJTWGTZYUJBU-UWVGGRQHSA-N 266.776 3.744 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)Oc2cc(F)cc(F)c21 758028401 FFFONTPAAYAKJC-JYOAFUTRSA-N 293.656 3.629 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)s1)c1ccc(F)cc1F 750396378 YQJCAZLYRMZTNW-QMMMGPOBSA-N 293.294 3.816 30 20 CHED CC(C)C#CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 854264220 JBDAMFRMSZAAAQ-LJQANCHMSA-N 291.394 3.746 30 20 CHED C=CC(C)(C)CCOC(=O)CCC(=O)c1cccs1 851298586 GSOMZZDOGWNJFS-UHFFFAOYSA-N 280.389 3.857 30 20 CHED CCS[C@@H]1CCCC[C@@H]1N[C@H](C)CC(C)(C)C#N 925227329 UBLNBSBFXOQCND-HZSPNIEDSA-N 268.470 3.969 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@H](C)CC(C)(C)C#N 925680965 LROJNJHDPRCJOK-IOASZLSFSA-N 292.398 3.820 30 20 CHED COc1cc(C(C)=NO[C@@H]2CCCCO2)ccc1SC 755820469 LYMWKPZQGHKOIK-OAHLLOKOSA-N 295.404 3.684 30 20 CHED C[C@H]1CCCCN1N=Cc1ncc(C(C)(C)C)s1 853381952 PEEYANXJDCESHD-NSHDSACASA-N 265.426 3.649 30 20 CHED C#C[C@@H](CC)NC(=O)[C@H](c1cccc(Cl)c1)C(C)C 754390541 VZGYRSWQIZEPBU-GJZGRUSLSA-N 277.795 3.608 30 20 CHED CCOc1ccc(/C=N\CCc2cccs2)c(O)c1 920945262 UETLMDUNEMNMRA-WJDWOHSUSA-N 275.373 3.514 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cc(C)ccc1OC(F)F 755821032 AIIOYFZGMXWQHX-AWEZNQCLSA-N 299.317 3.864 30 20 CHED C=CCCC(=NNc1ccc(C(=O)O)cc1OC)C1CC1 756905722 GVINQNLESFUEEZ-UHFFFAOYSA-N 288.347 3.538 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C1/CC[C@@H](C)C1 753610392 MNALLZDBILAFAM-QAALXFNPSA-N 262.397 3.521 30 20 CHED CO[C@@H]1C[C@@H](/N=C\c2c(O)ccc3ccccc23)C1(C)C 753138866 PSVOLMJWJVTBHR-XYDYMBQBSA-N 283.371 3.778 30 20 CHED COc1ccc(CN[C@H]2CCc3cccc(C)c32)cc1C#N 925582491 FYPRRLALWZNVDZ-KRWDZBQOSA-N 292.382 3.652 30 20 CHED CN(C(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1C#N 752819561 NMASJQXWJFUHQM-FLIBITNWSA-N 296.757 3.888 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(SC)cc1 853002179 IEZUUQHIYNSOEP-RMKNXTFCSA-N 286.400 3.911 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)O[C@H](C)CC(C)(C)C#N 851212118 QBFYALGAIJAOSK-GFCCVEGCSA-N 298.386 3.890 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@](C)(C#N)CC)cc1 755275799 WNNWJWYEXFFYSA-LRDDRELGSA-N 258.365 3.622 30 20 CHED CCCCCCCCCC=NNC(=S)N(C)C 755708751 JFYVWXKNFFZYOV-UHFFFAOYSA-N 257.447 3.549 30 20 CHED Cc1ccnc(NN=C2CCSc3ccccc32)c1 755906327 LRJREGQHRXNSFO-UHFFFAOYSA-N 269.373 3.702 30 20 CHED C=CCCCCCN(C)C(=O)c1cc2ncccc2o1 933341024 ANDROEPQAGRTHG-UHFFFAOYSA-N 272.348 3.646 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc2cccnn12 753487382 TUMFMIGZEYQUQF-UHFFFAOYSA-N 297.402 3.543 30 20 CHED C#CCCCCNC(=S)Nc1cccc(C(C)C)c1 758432756 AYVBVLQQHRYBQS-UHFFFAOYSA-N 274.433 3.900 30 20 CHED CCC(=NNc1cccc2ccccc12)c1ccn(C)n1 758110560 YEFUYDMGHOXASY-UHFFFAOYSA-N 278.359 3.800 30 20 CHED CCCCCCCC(=O)N[C@@H]1CN(C)Cc2ccccc21 757582038 YYWLHFODZOQTIL-QGZVFWFLSA-N 288.435 3.650 30 20 CHED CC(C)c1ccc(C=NO[C@H]2CCCCO2)cc1[N+](=O)[O-] 755815602 ABMSQOZTVJBRMW-HNNXBMFYSA-N 292.335 3.595 30 20 CHED C[C@H]1CCCC(=NNc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1C 769829552 SGIHYBGANGYYAB-VHSXEESVSA-N 279.315 3.958 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)[C@H](OC)c1ccccc1F 935253267 XHQVKIREUWPOST-XNJGSVPQSA-N 293.382 3.620 30 20 CHED CCCCCn1cc(C/N=C\c2ccccc2O)c(C)n1 767878654 OZTNGZCQTWHBBD-WQRHYEAKSA-N 285.391 3.706 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(F)cc1F 761884337 FLJYMNXQTSVQRF-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CC[C@@H](CC#N)NC(=O)CCc1cccc2ccccc12 867419991 RAOWWIUYIXETRV-INIZCTEOSA-N 280.371 3.581 30 20 CHED C#CCCc1noc(CCSc2ccc(C)c(C)c2)n1 762017794 OGZOVULPBYWMTH-UHFFFAOYSA-N 286.400 3.587 30 20 CHED CC#CCCCC(=O)OCc1cc(Cl)cc2c1OCC2 767116423 HJSMSFQECHVXRS-UHFFFAOYSA-N 292.762 3.512 30 20 CHED C#CCCCN1CC[C@@H](CSc2ccccc2)C1 766901927 AKCHQDGQPCKAHD-OAHLLOKOSA-N 259.418 3.514 30 20 CHED CC(=NNc1ccccc1Cl)c1sccc1O 769763629 QOHQBBLSBZAQPQ-UHFFFAOYSA-N 266.753 3.943 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc(Br)cn1 866567628 SAIHJEXKVQRLOK-WDEREUQCSA-N 283.213 3.534 30 20 CHED CC#CCCOC(=O)COc1ccccc1[C@@H](C)CC 760273651 KYVNZEAQZYBGQI-AWEZNQCLSA-N 274.360 3.536 30 20 CHED C=C1CCN(C(=O)Nc2ccc(Cl)cc2OC)CC1 864253604 ZKMFFIIUKCUDIE-UHFFFAOYSA-N 280.755 3.533 30 20 CHED Cc1n[nH]c(C)c1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 763290678 SFXFXOLCKNEJCS-BPKVKKHESA-N 278.355 3.726 30 20 CHED C#CCCc1noc(CCSc2ccccc2Cl)n1 761998841 JDRJFOBTPUTIFY-UHFFFAOYSA-N 292.791 3.624 30 20 CHED C/C(=C\C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 766580942 FGALWIBQOBGDNL-JICACKBISA-N 288.366 3.674 30 20 CHED C#CCCc1noc([C@@H](C)c2ccc(CC(C)C)cc2)n1 762011191 IGSNYIKEFUYGSN-AWEZNQCLSA-N 282.387 3.986 30 20 CHED Cc1cc(C)cc(C(=O)Oc2ccc(C#N)cc2F)c1 769740046 IGVYDKGOAZGCPP-UHFFFAOYSA-N 269.275 3.533 30 20 CHED CCC(CC)(CC)S[C@@H](C(N)=O)c1ccc(C#N)cc1 762972515 XYGILNYMGSVUEL-CQSZACIVSA-N 290.432 3.787 30 20 CHED Cn1c([C@@H](C#N)C(=O)[C@H]2CCCC2(C)C)nc2ccccc21 773942868 IBRUJSHQGXYMHO-QWHCGFSZSA-N 295.386 3.576 30 20 CHED C#C[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 773598831 OPGAUKHUPBMTCM-WMLDXEAASA-N 298.430 3.852 30 20 CHED C=CCN(C(=S)Nc1cc(C)cc(C)c1)C1CC1 771540358 DLDRARQHEMYMCL-UHFFFAOYSA-N 260.406 3.651 30 20 CHED COc1ccc(C)cc1C(C)=NOCCC(F)(F)F 777456330 XLPXFAFNNVIJSD-UHFFFAOYSA-N 275.270 3.697 30 20 CHED CC(C)ON=Cc1ccc(OC(F)F)cc1OC(F)F 1117831227 KVEINABNAKQXBR-UHFFFAOYSA-N 295.232 3.648 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 879024397 LTRHKWLCTIPOHJ-UHFFFAOYSA-N 299.374 3.840 30 20 CHED COc1ccccc1[C@H](C)CC(=O)OCCC(C)(C)C#N 776383899 UHEMVZTUZUSUMC-CYBMUJFWSA-N 289.375 3.672 30 20 CHED C#CCOc1ccc([C@@H](C)NCC2(CC)CC2)cc1 773045185 HJMVFSUUOGVFMA-CQSZACIVSA-N 257.377 3.539 30 20 CHED CCC1(CC)CCN(c2cccc(CC#N)n2)CC1 1116662323 LQAJABGGOFQDSL-UHFFFAOYSA-N 257.381 3.554 30 20 CHED COc1ccc(NC[C@@H](C)CCC#N)cc1Cl 876819613 JNRXKCUZEOFHRU-JTQLQIEISA-N 252.745 3.700 30 20 CHED C=Cn1cc(C=NN=C2c3ccccc3-c3ccccc32)cn1 773032968 QWBIQPGGDFHJKN-UHFFFAOYSA-N 298.349 3.836 30 20 CHED COc1cc(C=NN[C@H](C)c2ccccc2)ccc1C 773052941 BMTCVSCWWOKGQO-CQSZACIVSA-N 268.360 3.688 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)Cc2ccccc2CC#N)C1 776894721 ZNSHRFYLMRVLMI-WMZOPIPTSA-N 298.430 3.626 30 20 CHED N#Cc1ccc(NN=Cc2ccc3c(c2)CCO3)cc1Cl 783876303 SVDZOONXGAHRCV-UHFFFAOYSA-N 297.745 3.593 30 20 CHED CN(Cc1ccc(F)c(F)c1)c1nc(Cl)c(C#N)s1 787892193 LDJMYTFQDKSZOW-UHFFFAOYSA-N 299.733 3.583 30 20 CHED C=C1CCC(C(=O)Oc2cc(OC)ccc2C(C)=O)CC1 887605103 SFTFORJABNNZOZ-UHFFFAOYSA-N 288.343 3.550 30 20 CHED C=C(C)[C@H](CC(=O)OCCCc1ccsc1)OCC 782674562 BFLDVZPVNQEYEB-AWEZNQCLSA-N 282.405 3.595 30 20 CHED CC(C)(C)[C@H]1CCN1C(=O)Nc1ccc(C#N)c(Cl)c1 1123386006 XUHXKUUBCIINBW-CYBMUJFWSA-N 291.782 3.864 30 20 CHED CC(C)c1ncc(C(=O)OCCCCC2(C#N)CCC2)[nH]1 1120309834 CCQFGYOOEVFQKW-UHFFFAOYSA-N 289.379 3.554 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C)c(C#N)c1 1127096653 PQDFKWQXPSSFFD-WMLDXEAASA-N 284.403 3.908 30 20 CHED CCC(CC)CNN=Cc1ccc(C(F)F)cc1 794535161 GJNMSYIPYNFNLL-UHFFFAOYSA-N 254.324 3.984 30 20 CHED CC(C)(C#N)CCCOC(=O)c1scnc1C(C)(C)C 783965387 QKMARVPFCXYRHK-UHFFFAOYSA-N 294.420 3.927 30 20 CHED CCOCCON=C1CCC2(CCCCC2)CC1 786038228 SJYFVOMHVGBJJM-UHFFFAOYSA-N 253.386 3.920 30 20 CHED C#CC[C@H](NCc1cccc2c1NCCC2)c1ccccc1 894362051 QJANCCONGOBAFJ-IBGZPJMESA-N 290.410 3.899 30 20 CHED C=CCCCCCOC(=O)c1csc(NC2CC2)n1 784235118 OIMFYVDDPOPUOD-UHFFFAOYSA-N 280.393 3.621 30 20 CHED CC(Cn1nc(C)cc1C)=NOC[C@@H]1CCC[C@H](C)C1 781613329 ZTYZVJOZUNSQRN-BLLLJJGKSA-N 277.412 3.719 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C)c(OC(C)C)c1 782395896 CUQIEVZYCKKUFQ-UHFFFAOYSA-N 278.421 3.645 30 20 CHED CCOc1ccc(O)c(C=Nc2cc3c(cc2C)OCO3)c1 781099825 HJYVABQTUCFWJE-UHFFFAOYSA-N 299.326 3.579 30 20 CHED C=C1CC(c2noc(C(F)(F)c3ccccc3)n2)C1 896884236 LFOYRNXLOSTYID-UHFFFAOYSA-N 262.259 3.643 30 20 CHED C=CC(C)(C)Cc1nc([C@@H]2CCOc3ccccc32)no1 896084048 MYVDYZWTDKJVAQ-CYBMUJFWSA-N 284.359 3.739 30 20 CHED C=CCCCCCOC(=O)c1cnc([C@H]2CCCO2)s1 784421280 LNPULULYSZDMJP-GFCCVEGCSA-N 295.404 3.898 30 20 CHED COc1cccc(O)c1/C=N/CC(F)(F)c1ccccc1 788674410 JFRHRQFQUOZICP-VXLYETTFSA-N 291.297 3.612 30 20 CHED CC1(C(=O)Nc2cc(C#N)ccc2F)CCCCC1 891452288 WIAPTQQLAMQQTR-UHFFFAOYSA-N 260.312 3.606 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(-n2cccn2)cc1C 797060692 IBMUNTXHDBPRBO-UHFFFAOYSA-N 298.386 3.826 30 20 CHED C=C1CC(c2noc([C@@H](C)OCc3ccccc3)n2)C1 896881265 GOVNLVFKJXQVKG-GFCCVEGCSA-N 270.332 3.781 30 20 CHED CC(C)C1CCC(C=NNc2cc(Cl)nc(N)n2)CC1 794928311 WGNJAXBGUQYDAS-UHFFFAOYSA-N 295.818 3.572 30 20 CHED Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(C#N)o2)cc1 794352138 FQKAMNGFMXVBCD-UHFFFAOYSA-N 296.370 3.510 30 20 CHED CCCCO[C@@H]1CC(=NNc2cccc(F)n2)C1(C)C 795006652 JOQLMWUNLRGZJG-GFCCVEGCSA-N 279.359 3.604 30 20 CHED CCC(=NNc1ncccc1C)c1ccc2c(c1)CCO2 790185094 BEXWJTQVWDBKQZ-UHFFFAOYSA-N 281.359 3.551 30 20 CHED Cc1cccc(OC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1 796760294 BOWUTLZPBUQORJ-UHFFFAOYSA-N 297.329 3.889 30 20 CHED CCc1ccc2occ(C(=O)O[C@H](C#N)C(C)C)c2c1 796943813 OZVMIUWHEBZOIY-OAHLLOKOSA-N 271.316 3.700 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@@H](CCC=C)c1ccccc1 791202660 UJYFAJILCYDGPF-IRXDYDNUSA-N 269.388 3.655 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1ccc(F)c(C#N)c1 796327598 TXCAMZDROOTETD-MRXNPFEDSA-N 277.339 3.957 30 20 CHED Cc1cc(F)c(F)cc1OC(=O)C1(C#N)CCCCC1 791404725 WUMJNRMYOGUNAJ-UHFFFAOYSA-N 279.286 3.653 30 20 CHED CCN(C)c1ccc(C(C)=NNc2ncccc2C)cc1 790185704 KZKRUYBCWWXZLI-UHFFFAOYSA-N 282.391 3.682 30 20 CHED CC(=NN=CCC1CCCCCC1)c1cnccn1 799111510 SGHRYIBSWKWMAL-UHFFFAOYSA-N 258.369 3.632 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=CCCc1ccccc1 790305932 BCGDDPHXOXKNSH-UHFFFAOYSA-N 287.294 3.764 30 20 CHED Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1OC(C)C 799724436 MHZCQYTZVGYANK-UKRRQHHQSA-N 258.365 3.886 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NN[C@@H](C)C(C)(C)C 793115870 PUMKCJVRLKAETA-HNNXBMFYSA-N 298.434 3.847 30 20 CHED N#Cc1ccccc1OCCN1CCCCc2sccc21 1307725522 PPCSFQAMMUCUQV-UHFFFAOYSA-N 298.411 3.841 30 20 CHED CO[C@@H](c1ccccc1)[C@H](C)Nc1cccc(C#N)c1 1308656294 KQUNZWBCCCBHEK-SUMWQHHRSA-N 266.344 3.746 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(F)cc(OC)c1 1319826905 NTBQDAOEZZDRAB-UHFFFAOYSA-N 295.354 3.536 30 20 CHED COc1ccc(C[C@@H](C)N(C)Cc2ccccc2C#N)cc1 1318089434 SQLGFPGWYVFOKD-OAHLLOKOSA-N 294.398 3.630 30 20 CHED CCC1(CC)CCCN(c2ccc(C#N)cn2)CC1 302772552 NJVRERFEDXYPSH-UHFFFAOYSA-N 257.381 3.750 30 20 CHED N#Cc1ccc(CSCc2cn3ccccc3n2)c(F)c1 1319503225 QZGTVNXZVYXZAH-UHFFFAOYSA-N 297.358 3.778 30 20 CHED Cc1ccc(NN=Cc2ccc(-c3ccccc3)s2)nn1 1322540826 OPAYQMUYSMWGBR-UHFFFAOYSA-N 294.383 3.960 30 20 CHED C[C@@H]1CC[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)C1 1326933319 XANDHUJAWHDFRL-ZWNOBZJWSA-N 253.305 3.512 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N1CCC(CC#N)CC1 581372089 UFMBISMVNUMQOQ-HNNXBMFYSA-N 276.424 3.911 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 1321576242 LMVRBZQDWVKZSV-LLVKDONJSA-N 293.436 3.698 30 20 CHED COC(=O)C(C)(C)CC=NNc1ccc(C)c(Cl)c1 1324191968 TUMVCTJPTWXZCP-UHFFFAOYSA-N 282.771 3.635 30 20 CHED Cc1cccnc1CN[C@@H](CCC#N)c1ccccc1 1337613577 YUGZXRVIIWXTOV-INIZCTEOSA-N 265.360 3.525 30 20 CHED COc1cccc([C@H](C)Sc2nc(C)cc(C#N)n2)c1 1185726786 VRVJLZRDFSYUQV-NSHDSACASA-N 285.372 3.519 30 20 CHED CC[C@@](C)(C#N)c1nnc(CSc2ccc(C)cc2)o1 1330085343 WMZUUNJTOFIJAF-HNNXBMFYSA-N 287.388 3.862 30 20 CHED CC[C@H](N[C@H]1CCC[C@@H](F)C1)c1cccc(C#N)c1 1339192804 HFEDTUJZMUWPRK-PMPSAXMXSA-N 260.356 3.880 30 20 CHED C=C(CC)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 1346369932 VIWQDOKNVKUXSH-INIZCTEOSA-N 255.361 3.631 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2cccc(Cl)c2F)c1 1349600591 KSAZKOCWKZHTDJ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCCC[C@H](N)C(=O)Nc1ccccc1SC(C)C 1263087493 IOUACLDQGSHMEB-ZDUSSCGKSA-N 292.448 3.809 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1sccc1C#N 1341894770 NNUHGELHEUEQAD-ZYHUDNBSSA-N 277.393 3.662 30 20 CHED C=C(CC(C)C)C(=O)Nc1cccc(N(C)C)c1C 1349403256 HAHMTXNFGCBDLB-UHFFFAOYSA-N 260.381 3.602 30 20 CHED C=CC(C)(C)COC(=O)CSCc1cccs1 1344821663 STHPCUFLXGQJRY-UHFFFAOYSA-N 270.419 3.737 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 1346095032 CWPDCZHUXWJOCL-JTQLQIEISA-N 271.282 3.849 30 20 CHED Cc1ccc(F)cc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 1264224138 LIIBZBZKWVYXDC-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED Cc1ccc(Cl)cc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1275465121 SEZVHPFKTSUFQM-WCQYABFASA-N 277.751 3.888 30 20 CHED N#Cc1c(Cl)nsc1NCCCc1ccsc1 1354384454 YJTOMYZQDNHWMJ-UHFFFAOYSA-N 283.809 3.774 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1436351491 MCCYBMNPPMYIRX-BXUZGUMPSA-N 290.794 3.768 30 20 CHED N#Cc1ccc(F)c(C(=O)O[C@H]2CCc3ccc(F)cc32)c1 1435360119 FHJOFAIRHQOYTK-INIZCTEOSA-N 299.276 3.681 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCC(C)(C)C[C@@H]2C)n1 1458229134 HROWYSTVIRKHTQ-FZMZJTMJSA-N 257.381 3.888 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc(C#N)ccc1F 1529531451 SYYGHGPGBXCBGZ-GXTWGEPZSA-N 288.366 3.644 30 20 CHED CCC(CC)[C@H](C)C(=O)N1CCCc2cc(C#N)ccc21 1526759223 FWMKGARZXYEVFH-ZDUSSCGKSA-N 284.403 3.910 30 20 CHED N#CC[C@H](C(=O)N[C@@H]1CC12CCCCC2)c1ccccc1 1520889932 RDKYSECGYSNKHH-JKSUJKDBSA-N 282.387 3.523 30 20 CHED O=C(O)c1ccc(NN=C2CC3(CCC3)C2)cc1Cl 1602383915 QSAJTWQWJIZGLG-UHFFFAOYSA-N 278.739 3.770 30 20 CHED Cc1ccc(CN(C)c2ccc(C#N)c(C)n2)cc1C 1472806658 ZVGMRIDUGLKHRA-UHFFFAOYSA-N 265.360 3.515 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)[C@@H](CC#N)c1ccccc1 1538411267 NNHMCFTWGGNFEQ-VYDXJSESSA-N 284.403 3.721 30 20 CHED C=C(Br)CN(CCC)c1ccccc1F 1473645744 XAVMBDUZMJMMCD-UHFFFAOYSA-N 272.161 3.951 30 20 CHED Cc1ccnc(NC[C@@H]2CCC[C@H](C)[C@@H]2C)c1C#N 1612321949 NNBMVTFYJZUGHF-UBHSHLNASA-N 257.381 3.746 30 20 CHED CC(C)(CNc1ccc(C#N)cn1)C1CCCCC1 1612151647 FORPRFLFTDXDDJ-UHFFFAOYSA-N 257.381 3.972 30 20 CHED COc1cccc(COc2ccc(C#N)cc2F)c1Cl 1643785259 KAGBGGLCHOWQDH-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCCc1ccc(C#N)cc1 1653367495 RGODRJCJZPGGMC-KEYYUXOJSA-N 256.393 3.515 30 20 CHED C#CCC1(C(=O)Nc2ccc(C(=O)O)cc2C)CCCCC1 1588428217 GAENLHPLALKDJG-UHFFFAOYSA-N 299.370 3.606 30 20 CHED C=C[C@H](Nc1cccc(COc2ccccc2)c1C)C(=O)O 1588702214 MVMFFMCFHWENRP-INIZCTEOSA-N 297.354 3.625 30 20 CHED CO[C@@]1(C)C[C@H](NCc2ccc(Cl)cc2C#N)C1(C)C 1654484031 AEPVWQYYJFPVFM-HOCLYGCPSA-N 292.810 3.505 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(=O)O)cc2)CCCCC1 1588764738 HQQOHSDRIDYJGP-UHFFFAOYSA-N 287.359 3.850 30 20 CHED O=C(O)c1ccccc1NN=CCC[C@@H]1C[C@H]2CC[C@H]1C2 1776030556 PFKOFZHLCSRHBV-MCIONIFRSA-N 286.375 3.999 30 20 CHED O=C(O)c1ccccc1NN=C(CC1CC1)CC1CC1 1776032232 UNENJPGPKOMFQL-UHFFFAOYSA-N 272.348 3.753 30 20 CHED CCCCCCCNc1ncnc2cc(C(=O)O)ccc12 1776785948 ZKAIEGPPCRJTDM-UHFFFAOYSA-N 287.363 3.710 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C)c(C(=O)O)c2)cc1 1776114206 JADVVAQVSBDRPR-YFHOEESVSA-N 280.323 3.898 30 20 CHED C=C[C@H](C)ON=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1 1776090626 RLOUZAPRJKEWPG-ZDUSSCGKSA-N 295.338 3.977 30 20 CHED Cc1ccc(F)cc1NN=Cc1ccc(C)c(C(=O)O)c1 1776091943 OYKMHFNXXVTFPO-UHFFFAOYSA-N 286.306 3.587 30 20 CHED C=CCCCCCN1CC[C@H](CC(=O)O)C(F)(F)CC1 1776173420 UDNYJSYDEFLFEG-CYBMUJFWSA-N 289.366 3.555 30 20 CHED C=C(Cl)CNC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 1683545805 ZCCBJKVNULVRGV-OLZOCXBDSA-N 286.847 3.891 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)[C@@H]1C 20055230 OPSVUENCWMRTAL-HSMVNMDESA-N 260.356 3.612 30 20 CHED C[C@H](C#N)OC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 5365452 SJDDPACXWZJRSM-PWSUYJOCSA-N 291.416 3.968 30 20 CHED N#Cc1ccc(OCc2ncc(-c3ccc(F)cc3)o2)cc1 14073430 DBYTVLAHYHDBAQ-UHFFFAOYSA-N 294.285 3.931 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@H](c2ccccc2)C2CC2)n1 161884028 ZJWVASSDXHAMEH-LSDHHAIUSA-N 296.395 3.822 30 20 CHED CC(=C\c1ccccc1)/C=C1/Oc2cc(O)ccc2C1=O 206866427 UTIAZFXAUXAFRT-GRALHKOYSA-N 278.307 3.955 30 20 CHED Cc1cscc1C(=O)N[C@H](CCC#N)c1ccccc1 153178039 PXQFJQRSKBCVSU-OAHLLOKOSA-N 284.384 3.831 30 20 CHED COc1cccc(Br)c1OCC1(CC#N)CC1 157215160 XRKVKNDOTPBPCO-UHFFFAOYSA-N 296.164 3.530 30 20 CHED COc1cccc(Br)c1OCCC(C)(C)C#N 157215642 HYFGVPVZZJHBQK-UHFFFAOYSA-N 298.180 3.776 30 20 CHED CCCCCCCC(=O)N(C)Cc1cccc(C#N)c1 106324802 KEVWTAUVQGVNBN-UHFFFAOYSA-N 272.392 3.877 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC=CCC1 45934690 IYYVFBKCQXOIGF-MRXNPFEDSA-N 255.361 3.558 30 20 CHED C#CCCCCC(=O)Nc1cc(C)c(Cl)cc1OC 179629241 NDLAMRWXFPBJKL-UHFFFAOYSA-N 279.767 3.789 30 20 CHED C[C@@H](NCc1cccc(OCC#N)c1)c1ccsc1 61361416 UDQSGSRAQSIFJH-GFCCVEGCSA-N 272.373 3.501 30 20 CHED N#Cc1ccccc1CN1CCC2(CCCC2)CC1 62953859 QXDKEXIGCPLXKG-UHFFFAOYSA-N 254.377 3.714 30 20 CHED N#Cc1cc(F)cc(NCc2cc(F)cc(F)c2)c1 600856519 NLNVBMRLAFZTNR-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#CCc1cccc(NC(=O)c2cccc(Cl)c2)c1 313440665 FYXNHWYYCRSOKF-UHFFFAOYSA-N 270.719 3.658 30 20 CHED N#Cc1cccc(CCNc2ccc(C#N)c(Cl)c2)c1 521301147 KSNKYIHSHNQSCT-UHFFFAOYSA-N 281.746 3.738 30 20 CHED C[C@@H](C1CCC1)N(C)c1nc(C(F)(F)F)ccc1C#N 325368067 RPIZHEYNUFDPMJ-VIFPVBQESA-N 283.297 3.597 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 468287587 RFKLBUZCIXBSPF-CYBMUJFWSA-N 260.356 3.709 30 20 CHED C[C@H](C#N)OCCNc1ccccc1-c1ccccc1 380048460 BPJXUXGKRNFHTD-CQSZACIVSA-N 266.344 3.694 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1F)CC(F)(F)F 387321155 MVXGVEWKCSVACW-UHFFFAOYSA-N 288.288 3.718 30 20 CHED CCCCCCC[C@@H](C)NCC1([S@@](C)=O)CCC1 393697618 CHOFDBRAGAWNSK-RDTXWAMCSA-N 273.486 3.626 30 20 CHED N#CCCN(Cc1cnc2ccccc2c1)Cc1ccco1 106116343 FABCXAUIULRLKU-UHFFFAOYSA-N 291.354 3.744 30 20 CHED N#Cc1cccc(OCCCOc2cc(F)cc(F)c2)c1 54933065 QKXDDEWYZALWJJ-UHFFFAOYSA-N 289.281 3.684 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc2c(c1)CCC2 103440842 PGKGZRFTBUKSRO-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CCC(CC)(CC)CNC(=O)c1cc(C#N)cs1 177062926 JLJXVODMSJEDEV-UHFFFAOYSA-N 264.394 3.566 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 55206894 LRDMSDHTEHHUGD-HIFRSBDPSA-N 275.392 3.760 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)c1cccs1 178630168 SOPUNDZBAPRKRU-NSHDSACASA-N 270.357 3.670 30 20 CHED N#Cc1ccccc1NC(=O)/C=C/Sc1ccccc1 170819194 SAAWOPXDCPWSAO-ZHACJKMWSA-N 280.352 3.803 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1ccccc1C#N 63469731 RXTLTRZWCAAVTQ-UHFFFAOYSA-N 291.354 3.829 30 20 CHED CCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 68765589 VJMGHWKBXSBUPS-UHFFFAOYSA-N 251.285 3.541 30 20 CHED CN(C(=O)CC1CCCC1)c1cc(Cl)ccc1C#N 176426978 ZMERDEOLAINVHH-UHFFFAOYSA-N 276.767 3.755 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(C)c1 65984658 GEVJWBTWPQGWNY-UHFFFAOYSA-N 296.345 3.801 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cc(C#N)ccc1C 175744626 WEOCGXNXNQISDD-UHFFFAOYSA-N 273.380 3.957 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(Br)cc1 129155070 MXTJZFOAFAWPOQ-SNVBAGLBSA-N 281.197 3.649 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 178115602 NHVYXMYGMCGRNY-RHSMWYFYSA-N 284.403 3.528 30 20 CHED C[C@@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173328712 WAUJYGUDKXSFST-ZEGGKSINSA-N 297.185 3.515 30 20 CHED C=C(C)CN[C@H](c1ccccc1)c1nc2ccccc2n1C 126102611 SKZADEBHWMSAGV-GOSISDBHSA-N 291.398 3.828 30 20 CHED C=CC[C@H](C)NC(=O)CCc1ccc(C(C)C)cc1 116853805 PLIFYTWBXXOLOQ-AWEZNQCLSA-N 259.393 3.823 30 20 CHED C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCCCC#N 111309947 SHKLNCJBORZXEE-CZUORRHYSA-N 292.810 3.796 30 20 CHED C=C(C)CSc1nnc(C)n1CCc1cccs1 67757759 MRHVVEKDZHYUSI-UHFFFAOYSA-N 279.434 3.559 30 20 CHED CCCc1cc(C(=O)N[C@@](C)(C#N)C(C)C)sc1C 120727045 XRSOEMQRNXCOIH-HNNXBMFYSA-N 278.421 3.677 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(-n3cccc3)c2)CC1 171893209 YNDROFKHOWDTQE-UHFFFAOYSA-N 295.386 3.907 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 178105595 SPWXOZVLMLBHBX-KRWDZBQOSA-N 284.403 3.528 30 20 CHED COc1cccc2cc(C(=O)/C=C/c3cncs3)oc12 129964133 SBXUQDQRZBEXFQ-AATRIKPKSA-N 285.324 3.794 30 20 CHED C=CCCCC(=O)N1CCCc2c(C)ccc(OC)c21 177812042 JUMWXGDQAKZKFO-UHFFFAOYSA-N 273.376 3.639 30 20 CHED CCCO[C@@H]1CCCN(c2c(Cl)cccc2C#N)CC1 301393763 JSANPZBYZFYNIW-CQSZACIVSA-N 292.810 3.997 30 20 CHED C[C@@H](C[C@H](O)c1ccco1)Nc1c(Cl)cccc1C#N 301881403 IHVQWHUOPZQZTQ-GWCFXTLKSA-N 290.750 3.729 30 20 CHED CCCCOc1ccc(OC)cc1N[C@@H](C#N)CC 122204926 VDHOKNAXKMBZTJ-GFCCVEGCSA-N 262.353 3.588 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl 186111821 AUJJKFWAEZIVRB-BXUZGUMPSA-N 276.767 3.623 30 20 CHED C=C(C)CN(C)C(=O)NC[C@H](c1ccccc1)C(C)C 180514210 CRVWRQJVOJUCJD-INIZCTEOSA-N 274.408 3.644 30 20 CHED C[C@H](NCC#Cc1cccc(Cl)c1)c1cccc(O)c1 181508972 GSRQIZLWLHKHMZ-ZDUSSCGKSA-N 285.774 3.748 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccccc1CNC 415915066 XXTWJCYPXLZHRZ-UHFFFAOYSA-N 289.423 3.616 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H](C)c1ccccc1 123333602 GCZCDKHRHXGCMY-HNNXBMFYSA-N 286.419 3.969 30 20 CHED C=CCOc1ccc(Oc2cc(C)c([N+](=O)[O-])cn2)cc1 74768176 UAQVETSANNZBRF-UHFFFAOYSA-N 286.287 3.655 30 20 CHED C=C(C)[C@@H](NCc1ccncc1)c1ccc(F)c(F)c1 187372440 AUSVHEONZYDXAF-MRXNPFEDSA-N 274.314 3.767 30 20 CHED COc1ccc(/C=C/C(=O)c2sccc2OC)cc1C#N 184768709 HLSGZMPJNPKCBL-HWKANZROSA-N 299.351 3.533 30 20 CHED C[C@@H](Sc1cc(C#N)ccn1)c1nc2ccccc2o1 182310321 RFALKCAVPWEFSI-SNVBAGLBSA-N 281.340 3.948 30 20 CHED C[C@H]1CC=C(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 416342141 YZJANKILIREBEU-SCLBCKFNSA-N 294.398 3.798 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CCCOc3ccccc32)C1 185809470 PUXSIKXMMQYGPA-OFQRWUPVSA-N 270.376 3.572 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H](C)c1ccncc1 121536995 VECLSSWNHIJTGE-AWEZNQCLSA-N 287.407 3.554 30 20 CHED N#Cc1cnc2ccccc2c1N1CCc2sccc2C1 36913162 HIHFSLIIUBACKE-UHFFFAOYSA-N 291.379 3.731 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(C(F)(F)F)CCC2)c1 456957173 DHSVUCRWUWDYMM-UHFFFAOYSA-N 282.265 3.538 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416109963 RKTJEYFMCZYXKR-AHIWAGSCSA-N 284.403 3.734 30 20 CHED CCc1cnc(CSc2nc3c(cc2C#N)CCCC3)o1 78955206 HOWZQYRINRCJMP-UHFFFAOYSA-N 299.399 3.675 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1ccccc1SC 187987337 NYNZKBQWACNYSR-OAHLLOKOSA-N 263.406 3.974 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cccc(Cc2ccccc2)c1 411420947 MLTHMUGFEGHNFS-OAHLLOKOSA-N 292.382 3.509 30 20 CHED Cc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)CCC2 414159177 AZDFUXVRLGJGFB-INIZCTEOSA-N 256.393 3.902 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(F)ccc2F)cc1 43740035 SFPVJYHGSRIMDQ-UHFFFAOYSA-N 289.281 3.782 30 20 CHED C=C(C)[C@H](NC(=O)C[C@H](C)SC)c1ccc(F)c(F)c1 186082192 IAHFPXWFLSARBX-BONVTDFDSA-N 299.386 3.840 30 20 CHED CC(C)(CCC#N)CN1CCc2cc(F)ccc2C1 181447414 BXMMIBJFRMGTFD-UHFFFAOYSA-N 260.356 3.514 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CC[C@H](C)c1ccccc1 132120738 PUDFUOKULKTRND-GJZGRUSLSA-N 272.392 3.578 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)SCc1ccccc1 410131966 SCNJVXMCEZSDGZ-HIFRSBDPSA-N 277.433 3.779 30 20 CHED C=CC[C@@H](CC)NC(=O)c1nc(-c2ccccc2)oc1C 410131383 RBDDKGNKFLNWCA-CQSZACIVSA-N 284.359 3.735 30 20 CHED CC(C)N(CCC#N)C(=O)CCCC1CCCCC1 608814002 QMAJVGDEHUPDTN-UHFFFAOYSA-N 264.413 3.888 30 20 CHED N#Cc1ccc(Cl)cc1Oc1nc(C2CC2)ns1 336471828 ZNHZCYXZSYRNJY-UHFFFAOYSA-N 277.736 3.733 30 20 CHED CC[C@H](NC(=O)N(C)C[C@H](C)C#N)c1ccc(Cl)cc1 45405367 BISCNDWGKSYYBJ-RISCZKNCSA-N 293.798 3.592 30 20 CHED Cc1nnc([C@H](C)/N=C(/O)[C@H]2CCc3ccccc32)s1 329508348 JHNSAUCRKSFLDF-ZANVPECISA-N 287.388 3.594 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC1(C2CC2)CCC1 506081540 VTMOYXOPMCMCFR-UHFFFAOYSA-N 298.430 3.965 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc2c(c1)CCO2 48625208 RZZRLJOZCHCXFR-SOFGYWHQSA-N 264.324 3.826 30 20 CHED Cc1csc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C#N 410856431 FXGLVEGNWXIUJT-JFGNBEQYSA-N 276.405 3.939 30 20 CHED C=CCCC(=O)Oc1ccc(F)c(C(F)(F)F)c1 191022431 ZIAFQQUPPZBJKO-UHFFFAOYSA-N 262.202 3.716 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc2cc(OC)ccc2c1 320402893 PDPWVRRWDRNPGM-KBXCAEBGSA-N 299.414 3.826 30 20 CHED CC[C@H]1CC[C@@H](C(O)=Nc2scnc2C2CC2)O1 328902764 GZLJMMRWJWDQCR-UWVGGRQHSA-N 266.366 3.566 30 20 CHED CCCOc1cc(F)ccc1NC(=O)c1ccc(C#N)cc1 131100014 YVEKOSJSMHAKSW-UHFFFAOYSA-N 298.317 3.738 30 20 CHED N#Cc1ccc(N[C@@H]2CSc3ccccc32)cc1 83748561 OGGDVCTVPGIFQE-CQSZACIVSA-N 252.342 3.817 30 20 CHED C[C@H]1CN([C@H](C)c2ccc(C#N)cc2)Cc2ccccc2O1 429113958 JMYXLSVQWVQDPM-LSDHHAIUSA-N 292.382 3.902 30 20 CHED C=CCN(CC1CCCCC1)C[C@@H]1CC2(CCC2)C(=O)O1 192021315 UBJQWRYWFAUKNU-INIZCTEOSA-N 291.435 3.541 30 20 CHED C#CCCCC(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 192073501 IHEVUXWOFKIUTD-UHFFFAOYSA-N 283.375 3.602 30 20 CHED Cc1nc(CN(C)[C@H](C)c2cccc(C#N)c2)c(C)s1 425529889 CYJFJELOXOUQGF-LLVKDONJSA-N 285.416 3.825 30 20 CHED N#CCCCSCCOc1ccc(Cl)cc1 82693291 BZGMYWLOYNNOBH-UHFFFAOYSA-N 255.770 3.756 30 20 CHED Cc1ccc2oc(C(=O)OCC(C)(C)CCC#N)cc2n1 195043086 PNWIFJMXGYWZMZ-UHFFFAOYSA-N 286.331 3.623 30 20 CHED O=C(C=C1CCC1)Nc1cccc(C#Cc2ccccn2)c1 87052079 HQTCQGFICOMRIM-UHFFFAOYSA-N 288.350 3.530 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(C)c(O)c(C)c1)C2 198942904 VSHWBBOZPFPZML-NVNXTCNLSA-N 294.350 3.840 30 20 CHED C#CCN(C)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 191118297 UVCDLHPXIPERBA-UHFFFAOYSA-N 287.359 3.568 30 20 CHED CC1(C)[C@@H](N[C@@H]2CC[C@H](C#N)C2)C[C@@H]1c1ccccc1 424332865 TWSLPYGRGNLUSS-SVGFKBNWSA-N 268.404 3.851 30 20 CHED C=CCCOCCNCc1ccc(-c2ccc(F)cc2)o1 229879818 BMZHQQVDEYNHIR-UHFFFAOYSA-N 289.350 3.768 30 20 CHED Cc1cc(Cl)ccc1CN1CCC[C@@](C)(C#N)C1 613540390 UHVAZCDZFMBRBL-HNNXBMFYSA-N 262.784 3.774 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1 89269278 GZECSRQFGJNWJQ-JKSUJKDBSA-N 299.761 3.549 30 20 CHED CC[C@H](NCc1cccc(F)c1C#N)c1ccccc1 428288045 FREBRYSTCIHSQO-KRWDZBQOSA-N 268.335 3.938 30 20 CHED COc1ccc(CN(C)[C@@H]2CCC[C@@H](C)C2)cc1C#N 87833249 WBRWNNYCWZRSNH-CZUORRHYSA-N 272.392 3.577 30 20 CHED CCCC(CCC)[S@@](=O)Cc1ccccc1C#N 339150143 AWESUECLFGRGGS-SFHVURJKSA-N 263.406 3.776 30 20 CHED CCCCCCCC[S@](=O)Cc1nccn1C(F)F 190815328 GJAWBIHLWRBMSO-IBGZPJMESA-N 292.395 3.887 30 20 CHED Cc1ccc(CSc2nnc(C)c(C)c2C#N)cc1C 192128456 KBVVJIUZGDENMN-UHFFFAOYSA-N 283.400 3.874 30 20 CHED CCN(CC)CCCN(CC)[C@@H](C)c1ccc(C#N)cc1 338236973 QCKHGMYBDSLPSB-INIZCTEOSA-N 287.451 3.673 30 20 CHED COc1ccc(/C=C/C(=O)c2ccsc2)cc1F 194615062 VWZWPVZLPFPHJG-DUXPYHPUSA-N 262.305 3.792 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(C(C)=O)c1 336629274 OIWWCSZRBXJXHS-CYBMUJFWSA-N 290.338 3.601 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/[C@H]1CCCC1(C)C 330020207 WIGPQRVZFWADNG-LBPRGKRZSA-N 276.380 3.819 30 20 CHED N#Cc1csc(CNc2cccc(NC(=O)C3CC3)c2)c1 93492475 HHYBVBSILWECJL-UHFFFAOYSA-N 297.383 3.580 30 20 CHED C=C(C)COCCN[C@@H](CC)c1cc(C)ccc1OC 90451005 RTUTUBMPIOLBDB-INIZCTEOSA-N 277.408 3.637 30 20 CHED C[C@H](CCc1ccccc1)CN(C)CC(C)(C)C#N 518805987 HUHGOYJTWYDSGQ-OAHLLOKOSA-N 258.409 3.737 30 20 CHED CC[C@@H](C)CCC(=O)N[C@](C)(C#N)CCc1ccccc1 511712372 MVYUPXBXKYGBLV-QAPCUYQASA-N 286.419 3.844 30 20 CHED C=C1CCN(Cc2ccccc2OC(F)(F)F)CC1 513456897 SRQTWDCMHDEGRB-UHFFFAOYSA-N 271.282 3.737 30 20 CHED CC(C)(C)C(=O)c1ccsc1N=C(O)C1=CCOCC1 331030532 FQBYHDAJTUBUMF-UHFFFAOYSA-N 293.388 3.912 30 20 CHED Cc1noc(C)c1[C@H](C)Nc1ccc2cc(C#N)ccc2n1 92897924 IXLFSJOVRWAERN-JTQLQIEISA-N 292.342 3.884 30 20 CHED N#Cc1ccc(/C=C/c2csc(Br)c2)nc1 339182397 XQFWSCZGVJCINB-HNQUOIGGSA-N 291.173 3.948 30 20 CHED C[C@H]1CCCC[C@@H]1Nc1nc(Cl)c(C#N)s1 235593946 XZVFHAUADDDCKZ-YUMQZZPRSA-N 255.774 3.659 30 20 CHED Cc1cccc(F)c1NC(=O)c1cccc(C#N)c1C 337807451 KIOSMODVPNUHIT-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=C1CCN(C(=O)CCc2c[nH]c3cc(C)ccc23)CC1 334711673 YIZCPCWATLPDQB-UHFFFAOYSA-N 282.387 3.588 30 20 CHED C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)C1 336197109 QLJKXBOAZRJCKA-CJNGLKHVSA-N 282.387 3.502 30 20 CHED C=CCCS[C@@H]1CCCN(c2ccccc2F)C1=O 339090345 JQNWPZIZRYSRMA-CQSZACIVSA-N 279.380 3.630 30 20 CHED C=CCCCSc1nc2ccc(F)cc2c(=O)n1CC 339690165 AVMKJSRFYSPSER-UHFFFAOYSA-N 292.379 3.614 30 20 CHED CCC1CCC(CNC(=O)[C@]2(C#N)CC23CCCC3)CC1 333537730 KKNQYHSHFXRDFX-JTTJXQCZSA-N 288.435 3.793 30 20 CHED C#CCN(Cc1ncccc1C)[C@@H]1CCc2ccccc21 93159796 VBCXBQIXZXZNHO-LJQANCHMSA-N 276.383 3.513 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2ccccc2CC#N)C1 330830813 IVTZURCGUJBZQC-OLZOCXBDSA-N 256.349 3.517 30 20 CHED Cc1cocc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 527865007 GCXYZXRAQAZICM-UHFFFAOYSA-N 268.316 3.642 30 20 CHED N#Cc1cccc(CSc2ccc(C#N)cc2F)c1 524987482 BXVHASLQDDUSHU-UHFFFAOYSA-N 268.316 3.861 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(OCC)cc1 246067512 XJLPMUROTAJDRU-WMZOPIPTSA-N 289.419 3.549 30 20 CHED COc1ccncc1CSc1ccc(C#N)cc1Cl 344153071 YKLJYFVKFIHUKW-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=C(CC)CN1CCO[C@@H](c2ccccc2Cl)C1 536894972 XXVQGVFVGCBSNB-OAHLLOKOSA-N 265.784 3.680 30 20 CHED N#Cc1cnccc1/C=C\c1ncc(-c2ccccc2)[nH]1 349114776 VRUZVUYZZKHSKZ-SREVYHEPSA-N 272.311 3.514 30 20 CHED CCC(C#N)(CC)C(=O)NCc1ccc(-c2ccccc2)o1 528071501 DIHSDCSJFYNQQG-UHFFFAOYSA-N 296.370 3.893 30 20 CHED C=CCC[C@H](C)NCc1c(F)cc(F)c(F)c1F 430751477 WWKSEGZHTMKERI-QMMMGPOBSA-N 261.262 3.687 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)NCC1(CC#N)CC1 431172540 KLBRJSDNBSKENP-OAHLLOKOSA-N 276.424 3.649 30 20 CHED CC(C)(C#N)CCSCc1nc2ccccc2[nH]1 341980722 RBPYPFZVROJVCD-UHFFFAOYSA-N 259.378 3.736 30 20 CHED Cc1cc(C)c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)s1 601189830 MOIIXXIPNMNMKF-BMIGLBTASA-N 276.405 3.567 30 20 CHED Cc1nc(NCCCC#N)c2c(CC(C)C)csc2n1 343603390 SCDWIWXDZCQBDR-UHFFFAOYSA-N 288.420 3.914 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)C1(C#N)CCCCC1 600245385 JWOFXRXNSUXPOS-QGZVFWFLSA-N 298.430 3.988 30 20 CHED C=CCNC(=O)[C@H](C)N[C@H](CC1CCCCC1)C(C)(C)C 604414404 PGIBVDOUZGBCRM-GOEBONIOSA-N 294.483 3.652 30 20 CHED CC(C)c1cnc(S[C@H](C#N)Cc2ccccc2)[nH]1 600586482 OEQUDXDFSPABAG-ZDUSSCGKSA-N 271.389 3.760 30 20 CHED CCC(C#N)(CC)C(=O)N1CCc2cc(Cl)ccc21 529361139 XEMNHMSBTOHOIQ-UHFFFAOYSA-N 276.767 3.559 30 20 CHED C=CCCN(C)Cc1cccc(-c2ccccn2)c1 343476595 VARYXATUXJGNPT-UHFFFAOYSA-N 252.361 3.757 30 20 CHED Cc1cccc(N(C)C(=O)[C@H](C#N)CCc2ccccc2)c1 433355070 PORXBOHXJVOPLO-KRWDZBQOSA-N 292.382 3.730 30 20 CHED CC(C)[C@@H](NC(=O)NCCCC#N)c1ccccc1Cl 343813472 LJWGAOLAPROAGG-CQSZACIVSA-N 293.798 3.640 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCC1(c2ccncc2)CCCC1 344537933 NNPCOLBJXOSJPY-OAHLLOKOSA-N 286.419 3.612 30 20 CHED C[C@@H](CC1CCCC1)C(=O)NCC(C)(C)CCC#N 345914117 SRXNRGUBWZFLDC-ZDUSSCGKSA-N 264.413 3.649 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 340888085 PHRNHDCMYIZRHQ-TZMCWYRMSA-N 285.391 3.656 30 20 CHED CCc1nnc(SCc2ccccc2C(C)(C)C#N)o1 603370009 HZYQHKSULLTXMU-UHFFFAOYSA-N 287.388 3.725 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)[C@]1(C#N)CC12CCCC2 449900667 VSRSGYCEOBUVID-SUMWQHHRSA-N 276.424 3.791 30 20 CHED N#CCC1CCN(Cc2csc(C(F)(F)F)c2)CC1 600146068 DTUXJJDYNIRIEB-UHFFFAOYSA-N 288.338 3.893 30 20 CHED N#Cc1cccc(NCCCOCCc2ccccc2)c1 444419362 NFUMINWMJMJUIZ-UHFFFAOYSA-N 280.371 3.620 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](c1ccccc1)[C@H](C)CC 359397297 XXVSLIKBHFRNEE-WBVHZDCISA-N 284.403 3.745 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1cc2ccccc2s1 449923949 PAWAPSZXJIRCRQ-LLVKDONJSA-N 259.374 3.525 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2nc(C(F)F)sc2c1 352631971 XCTRLPSYJMEFGQ-ZETCQYMHSA-N 297.330 3.930 30 20 CHED C=C(C)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 352819215 WFTKMESUHRNGFE-CYBMUJFWSA-N 274.191 3.583 30 20 CHED C=CCCCS[C@H]1CCN(C2CCCCC2)C1=O 600621293 MFLMHUOEKXMOSP-AWEZNQCLSA-N 267.438 3.619 30 20 CHED N#C[C@@H]1CC[C@H](NCCCCOc2ccc(Cl)cc2)C1 442780211 MLPOXMXNQPMEFJ-HIFRSBDPSA-N 292.810 3.781 30 20 CHED C=CC[C@H](C)NC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 604917272 IAPYHDJWZQIYTD-LBPRGKRZSA-N 299.418 3.857 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1cccc(C)c1C)OCC 535887262 FTNYDYXDMFZFAU-WBVHZDCISA-N 289.419 3.852 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3ncccc32)cc1Cl 601279832 JVTNMYZLLGQIBK-KRWDZBQOSA-N 297.789 3.774 30 20 CHED Cc1ncsc1CSCc1ccc(F)cc1C#N 357426510 ZFPDCQGJSGILFB-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C=CCN(CCc1ccco1)C(=O)CCCC(F)(F)F 352587445 AXXVQGIGOQFUNY-UHFFFAOYSA-N 289.297 3.569 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](c1ccccc1)C(C)C 612200839 XUDILVPLIFCFTM-MRXNPFEDSA-N 272.392 3.767 30 20 CHED C=CCC[C@H](NCC1(COC)CCC1)c1ccco1 353600568 YMSOUDXRZQVOOX-AWEZNQCLSA-N 263.381 3.693 30 20 CHED C=CCN(C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1)C1CC1 446632674 VDAKHMMABJIVQW-SJORKVTESA-N 298.430 3.758 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(OC)cc1O)c1ccccc1 443560085 OYMPHQONEAKFOC-HNNXBMFYSA-N 297.354 3.699 30 20 CHED N#Cc1ccc(CNCc2ccc(OC3CCCC3)cc2)o1 266202107 LPUDDMNEFLBQRW-UHFFFAOYSA-N 296.370 3.762 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 264257755 ZLSQIFISKHPIPE-OAHLLOKOSA-N 289.382 3.817 30 20 CHED N#CCn1c(/C=C\c2ccsc2)nc2ccccc21 352022349 XKPZHBIEIQXZPW-WAYWQWQTSA-N 265.341 3.792 30 20 CHED C=CCc1ccc(OCC2(COC)CCC2)c(OC)c1 359368083 KNVWHOQCEYXBSE-UHFFFAOYSA-N 276.376 3.619 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cc2occc2s1 613364996 GOAOCPCSUJZJHT-AWEZNQCLSA-N 276.361 3.552 30 20 CHED CSc1ccc(CSc2cccc(C#N)n2)cc1 357629933 PEYIWLMAPJRPJC-UHFFFAOYSA-N 272.398 3.967 30 20 CHED CN(CCCCC#N)c1cccc(OC(F)(F)F)c1 264033197 BCGOFGYVOHZMLJ-UHFFFAOYSA-N 272.270 3.715 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(CC=C)CCCC2)C1 617777446 PGDASPVZUMUODL-HNNXBMFYSA-N 261.409 3.938 30 20 CHED Cc1cc(C#N)ccc1CNC1[C@H](C)CCC[C@H]1C 614407510 STFZYRXQINUJSH-CHWSQXEVSA-N 256.393 3.781 30 20 CHED C=CCOc1cccc(NC(=O)[C@H]2CC[C@@H](C)C2)c1 538445604 KNAORWAZHQLTSN-OLZOCXBDSA-N 259.349 3.626 30 20 CHED CC(C)(C)c1nsc(Sc2cccc(C#N)c2)n1 159952729 IRUGFBZEOLVQEG-UHFFFAOYSA-N 275.402 3.858 30 20 CHED CCc1c(N[C@H]2CCC[C@@H](C#N)C2)cnn1CC(C)C 613255906 UEMXQJDGWMRYNL-KGLIPLIRSA-N 274.412 3.596 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1CCC1CCCC1 450160185 MRRUOCCXDXFDNZ-INIZCTEOSA-N 299.418 3.770 30 20 CHED C=CCCCC[C@@H](C)N1CCC[C@]2(CCOC2)C1 453344396 DYJVUOBQOVQMOU-CVEARBPZSA-N 251.414 3.624 30 20 CHED C[C@H](NCc1cc(F)ccc1F)c1ccc(C#N)c(F)c1 537405330 DXTQTTCVHGPFKW-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=C(C)[C@H](CC(=O)N1CC2(CCCC2)[C@H]1C(C)C)OCC 457175483 SKYCZZSMNCYXHQ-DOTOQJQBSA-N 293.451 3.785 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1cc(F)ccc1F 455366530 MHOIJLCYLXBTDU-LLVKDONJSA-N 296.361 3.879 30 20 CHED Cc1cccc(CC[C@@H](C)NCC(C)(C)CC#N)c1 459659907 AELNCCKMEXQRCX-OAHLLOKOSA-N 258.409 3.846 30 20 CHED COCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccco1 272397166 DQQCHPYDGQVABB-CJNGLKHVSA-N 284.359 3.580 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](C)c1cc(C)ccc1C 455313729 QWMFEIBKAHNZSF-HNNXBMFYSA-N 274.408 3.972 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)CCc1ccc(C#N)cc1 452547961 JZPYLFWHHGTJRM-HNNXBMFYSA-N 284.403 3.742 30 20 CHED CC(C)(C#N)CC(=O)N1CC(C)(C)Sc2ccccc21 278983445 KGYBZHSWAQFABB-UHFFFAOYSA-N 288.416 3.844 30 20 CHED C[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC(C)(C)C1 544135511 HJBOCHVMAFARQP-KBPBESRZSA-N 299.418 3.697 30 20 CHED C=CC[C@H]1N(Cc2nc(C)c(C)o2)CCCC1(C)C 277927810 YMZDDBJXOYTPDC-CQSZACIVSA-N 262.397 3.858 30 20 CHED CC1CCC(N(C(=O)c2ccc(C#N)s2)C2CC2)CC1 362995132 ACOGAHMNKITHPO-UHFFFAOYSA-N 288.416 3.803 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 455365235 KBEXUBIHEHLVFU-HOCLYGCPSA-N 286.419 3.786 30 20 CHED N#CCC1(CN[C@@H](c2ccccc2)C(F)(F)F)CC1 360997461 MYUTZJZBJPVQIQ-LBPRGKRZSA-N 268.282 3.573 30 20 CHED CN(C(=O)c1ccc(CC#N)cc1)C1CCCCCCC1 270240301 CGGFCTQKWUQFBH-UHFFFAOYSA-N 284.403 3.938 30 20 CHED C=CCC1(NC(=O)c2cc(F)c(O)c(F)c2)CCCCC1 456367408 NXQCCYNALWWOQU-UHFFFAOYSA-N 295.329 3.679 30 20 CHED C=CCC[C@@H](CO)Nc1ncnc2sc3ccccc3c12 450903646 AZEFBUMUCFCSCI-NSHDSACASA-N 299.399 3.584 30 20 CHED C=CCC1(C(=O)Nc2cc3c[nH]nc3cc2C)CCCC1 451131609 UHZNGZQMMZQGAS-UHFFFAOYSA-N 283.375 3.946 30 20 CHED C=C(CC)CSc1nnc(Cc2ccccc2OC)o1 540214804 JHMDWXIYOQLOFG-UHFFFAOYSA-N 290.388 3.727 30 20 CHED Cc1ccnc(N(CCc2cccc(F)c2)C2CC2)c1C#N 542205976 CBFIGASTTUCHOA-UHFFFAOYSA-N 295.361 3.612 30 20 CHED CCCC[C@H](CC)CNC(=O)N1CCC(CC#N)CC1 543775973 VROPBOKGUVZNGH-AWEZNQCLSA-N 279.428 3.538 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCCc1ccc(F)c(F)c1F 543412956 VRJJYTPJPIGMEJ-GHMZBOCLSA-N 271.326 3.837 30 20 CHED C[C@H]1C[C@@H](CCNc2c(Cl)cccc2C#N)CCO1 543190409 YLADCCQUYNDFIY-RYUDHWBXSA-N 278.783 3.829 30 20 CHED Cc1ncsc1CCSCc1ccccc1C#N 276553869 BECDXZUJCICVPI-UHFFFAOYSA-N 274.414 3.799 30 20 CHED CCC[C@H](CC)Nc1cc(C#N)ccc1OCCOC 541559251 YXLSUWHLTORKAU-AWEZNQCLSA-N 276.380 3.574 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 465251824 IRCQTWUXVOTVFT-JTQLQIEISA-N 287.363 3.821 30 20 CHED C[C@@H]1CN(c2nc(Cl)c(C#N)s2)[C@@H]2CCCC[C@H]12 286771644 IGEDNLTVJUQORU-OPRDCNLKSA-N 281.812 3.683 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Oc1cccc(C)c1 540524621 GPLARLYKPUUTDN-LSDHHAIUSA-N 275.392 3.623 30 20 CHED Cc1nc(C(C)C)sc1C(=O)Nc1ccccc1CC#N 558189830 FLVYOHVHGWBIPM-UHFFFAOYSA-N 299.399 3.893 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(Nc2ccccc2)c1 465150550 WFGGZFIHHUQGFG-ZDUSSCGKSA-N 266.344 3.735 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 280850170 LGBHSAWMXBTQBU-IAGOWNOFSA-N 284.403 3.733 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cnn(C(C)(C)C)c1C 281612589 NCKLUOVDWNNBKJ-GXTWGEPZSA-N 263.429 3.952 30 20 CHED N#CCC[C@@H](NC(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1ccccc1 556748885 ZZPMKAHIOMOBAN-TWMKSMIVSA-N 297.402 3.519 30 20 CHED C=CC[C@@H](CC)N[C@@H](CC)Cc1ccc(OC)c(OC)c1 467422102 ZYJAIMZXEREZAQ-CVEARBPZSA-N 291.435 3.969 30 20 CHED CN(Cc1cccc(Cl)c1Cl)CC(C)(C)C#N 552318090 PFQILPRDLSYQQK-UHFFFAOYSA-N 271.191 3.975 30 20 CHED C=CCOc1ccccc1CN[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 557521645 RABHTNBCHYCXFF-YZGWKJHDSA-N 291.394 3.679 30 20 CHED CCc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1Cl 287796993 TXPNYCCQDVFEDA-SNVBAGLBSA-N 279.771 3.668 30 20 CHED Cc1coc(C)c1C(=O)Nc1cc(C#N)cn1C(C)(C)C 288197139 BXYOHBLFKJLOBV-UHFFFAOYSA-N 285.347 3.577 30 20 CHED C=CCC[C@H](NCc1cn2ccsc2n1)c1ccco1 286198237 ROCMCLDSPXNLAH-ZDUSSCGKSA-N 287.388 3.786 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(OC)cc1F 633819576 NZMDLYIVQUNLLQ-UHFFFAOYSA-N 295.354 3.536 30 20 CHED C=CC[C@H](CC)N[C@@H](CC)c1ccc(C(=O)OC)cc1 556179252 OLNMAKGDNFVITL-HOTGVXAUSA-N 275.392 3.869 30 20 CHED C[C@H]1C[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CC[C@H]1C 552161790 WNXDTOSADFWNQX-MDZLAQPJSA-N 290.794 3.766 30 20 CHED Cc1cc(=N[C@@H](C)c2c(F)cccc2Cl)cc(C#N)[nH]1 557628495 ATCMMCRKUVUYMR-JTQLQIEISA-N 289.741 3.649 30 20 CHED C[C@@H](CN(C)c1nccc(C#N)c1Cl)c1ccccc1 557571809 GPVOELGHCAMKGX-LBPRGKRZSA-N 285.778 3.847 30 20 CHED N#Cc1cc(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)ncn1 556258264 CYGLCESDKDPXQS-OCCSQVGLSA-N 298.777 3.750 30 20 CHED C[C@@H](Oc1ccccc1C=O)c1ccc(C#N)cc1 808244203 YGRDVYKVZPGDDE-GFCCVEGCSA-N 251.285 3.511 30 20 CHED C[C@@H]1/C(=C/c2ccc(F)nc2)C(=O)c2ccccc21 809157890 WNKIVJTYICUEGS-WULZRQGASA-N 253.276 3.604 30 20 CHED C#CC(C)(C)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 704331322 ZFUIUJWDERFVAL-AATRIKPKSA-N 282.170 3.535 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@@H](C)C1 290011561 ZSOQANIEBABSAL-RYUDHWBXSA-N 264.319 3.596 30 20 CHED C#C[C@H](N[C@@H](C)C[C@H]1CCOC1)c1ccc(Cl)cc1F 809698368 CVVGMAJDJZPKIF-OZVIIMIRSA-N 295.785 3.558 30 20 CHED CCCCCCCCN1CCC[C@@H](CCNC(C)=O)C1 805822986 VFLACTKOOAOYDH-KRWDZBQOSA-N 282.472 3.585 30 20 CHED N#CCCCCCC(=O)OCc1ccc2c(c1)CCC2 805695366 SMCLALJHQOSJLD-UHFFFAOYSA-N 271.360 3.693 30 20 CHED COCCCCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297796567 OIEJSVUBKWCINQ-UHFFFAOYSA-N 294.420 3.672 30 20 CHED C=CC[C@@H](C)C(C)=NNc1ccc([N+](=O)[O-])cc1C 807989920 PZMHMQKVCWTOOV-SNVBAGLBSA-N 261.325 3.903 30 20 CHED C=CCCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1F 474793916 BECGISAJOZKTJP-UHFFFAOYSA-N 283.774 3.791 30 20 CHED C[C@H]1CCC[C@H](C)N(c2nc(Cl)c(C#N)s2)C1 804502990 DDJLUZQOJXRXCJ-IUCAKERBSA-N 269.801 3.683 30 20 CHED Cn1cc(CN2CCC[C@H]2CC2CCCCC2)cc1C#N 483283014 QOBDACDYJSHSKT-KRWDZBQOSA-N 285.435 3.832 30 20 CHED N#Cc1ccc2c(c1)C(=NNc1ccc(F)cc1F)CC2 811628672 HZPZVKIGZZISHX-UHFFFAOYSA-N 283.281 3.599 30 20 CHED CC(C)(CC(=O)OCC#Cc1ccc(F)cc1)C1CC1 815471564 MCPFDBIVUFRUOD-UHFFFAOYSA-N 274.335 3.547 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)OC1CCCC1 819917246 YUYVYYAUQHMRMQ-LBPRGKRZSA-N 272.348 3.630 30 20 CHED Cn1c(NN=C2CCC[C@H]2C(C)(C)C#N)nc2ccccc21 814807499 YQVNLJHYNUZKAG-GFCCVEGCSA-N 295.390 3.691 30 20 CHED CN(C(=O)C1(F)CCCCC1)c1cc(Cl)ccc1C#N 813044325 YCJDNFQHAFKTDK-UHFFFAOYSA-N 294.757 3.847 30 20 CHED c1ccc(C[C@@H]2CCC(=NOCc3cccnc3)C2)cc1 814884189 QKWRSUHQPQCUPS-INIZCTEOSA-N 280.371 3.997 30 20 CHED COc1cccc(C(=O)/C=C\c2cccc(F)c2C#N)c1 811685579 WUMCVFHNWNRXCA-HJWRWDBZSA-N 281.286 3.602 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CS[C@@H](C(C)(C)C)C1 488588320 KSZHQJIKWMSFPG-SWLSCSKDSA-N 290.432 3.899 30 20 CHED C#CCC1(C(=O)Nc2nc(C)cc(C3CC3)n2)CCCCC1 813254089 XYKHAOYIINFWOF-UHFFFAOYSA-N 297.402 3.575 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCCC1CCCCCC1 816068799 IIIHCWSQRUCJJP-UHFFFAOYSA-N 286.375 3.779 30 20 CHED N#CC1(c2nc(C3CCCCCC3)no2)CCCC1 575979135 TXOGWHDWSPEYJX-UHFFFAOYSA-N 259.353 3.843 30 20 CHED Clc1cc(NN=C[C@H]2CCCSC2)cc(Cl)n1 819828847 RPCZTRZZVFECEK-MRVPVSSYSA-N 290.219 3.929 30 20 CHED C=CCSCCNC(=O)C[C@H](c1ccccc1)C(C)C 486072153 VOMZIUHOAKOOAY-INIZCTEOSA-N 291.460 3.852 30 20 CHED CC(C)Oc1ccc(CCNc2ncc(C#N)cc2F)cc1 579808091 ODFNMCSHESPAJF-UHFFFAOYSA-N 299.349 3.534 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(CCC#N)CC1 579586634 CHZKRVBKYCMOHW-HOTGVXAUSA-N 291.439 3.681 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1csc(N)n1 812232414 GWKFRINZNABFLT-UHFFFAOYSA-N 288.420 3.993 30 20 CHED C=C(C)CS[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 574480247 ONFRXNCQAUUHPQ-JISDDCRVSA-N 293.476 3.769 30 20 CHED CCCC1CCC(N(C)C(=O)Cc2ccc(C#N)cc2)CC1 483077644 VGBVQKFDYQDTBD-UHFFFAOYSA-N 298.430 3.918 30 20 CHED C=CCCC(=O)OCC(=O)c1cccc2ccccc12 726652482 QZIZMNJICFASBL-UHFFFAOYSA-N 268.312 3.532 30 20 CHED Cc1cccc(OCCCNc2ccc(C#N)cc2F)c1 725788479 QVOLCLQGWWFHLM-UHFFFAOYSA-N 284.334 3.887 30 20 CHED FC(F)(F)OCC(=NOC/C=C/Cl)c1ccccc1 811669938 WQXJJQGASVIMGS-PLWUYMCYSA-N 293.672 3.696 30 20 CHED C=CC(C)(C)C(=O)NCc1cccc(Cl)c1Cl 579314308 KFFJQKMIFHCSOH-UHFFFAOYSA-N 272.175 3.822 30 20 CHED CCCCc1noc(CSc2cccc(F)c2C#N)n1 573400505 CFXJRIXBPHSYOE-UHFFFAOYSA-N 291.351 3.715 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 726532281 DKWRKONFDBOTSM-INIZCTEOSA-N 295.386 3.516 30 20 CHED Cc1cc(F)ccc1C=NNc1nc(-c2ccccc2)no1 726737885 FXDMYMJVKODPHY-UHFFFAOYSA-N 296.305 3.630 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(Cl)c2occc12 820521802 SVJWLGZZVDIVBE-UHFFFAOYSA-N 290.750 3.708 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccnc(Cl)c1 823619085 XCVKIMXYAQTDNO-LBPRGKRZSA-N 285.778 3.800 30 20 CHED CCSc1cccc(NC(=O)c2cc(O)cc(C#N)c2)c1 589181493 XEOFSERSESXPCD-UHFFFAOYSA-N 298.367 3.628 30 20 CHED C=CCOCCN[C@@H](C)c1csc(-c2ccccc2)n1 666126239 CTEWXANXOPELNG-ZDUSSCGKSA-N 288.416 3.663 30 20 CHED C=CCN(CC=C)C(=O)NCc1cccc(SCC)c1 494774613 JNMZFMFKKPPZQZ-UHFFFAOYSA-N 290.432 3.682 30 20 CHED CCCCCCC[C@H](C)CNC(=O)/C=C\[C@@H]1CCOC1 822678099 VFRCTPVOKFCMAM-SNPSMXBXSA-N 281.440 3.692 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](c1ccccc1)C(F)F 820466431 GPJYPTHZVSBYAX-SMDDNHRTSA-N 267.319 3.711 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 588258474 KUJWOMLVTRSIAG-BZUAXINKSA-N 276.424 3.936 30 20 CHED C[C@H](O)c1ccc(OCCCCC2(C#N)CCC2)cc1 902750781 KBQSYORELMMNRI-AWEZNQCLSA-N 273.376 3.983 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 733758754 SXMPEWOCOZVQFX-LVQVYYBASA-N 281.440 3.667 30 20 CHED N#CCCCCCC(=O)Nc1cc(Cl)c(O)cc1F 588774856 KEBHNWWNKOYFBB-UHFFFAOYSA-N 284.718 3.597 30 20 CHED O=C([C@H](F)CC1CCCCC1)N(O)Cc1ccc(F)cc1 900093882 AONMYOSUGZNTBO-OAHLLOKOSA-N 297.345 3.852 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1cc(C)c(OC)c(Cl)c1 834903424 ICJUERMLQKUMGG-OCCSQVGLSA-N 297.826 3.635 30 20 CHED C=CCCNC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 661571878 AMFHMKXIIQCVLV-UHFFFAOYSA-N 287.190 3.711 30 20 CHED N#Cc1cc(F)ccc1NC(=O)Cc1coc2ccccc12 582807779 IWUZRDXCBGJXSP-UHFFFAOYSA-N 294.285 3.625 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 838129047 HXJADRUMSDMGTL-YCPHGPKFSA-N 297.398 3.967 30 20 CHED N#CC1(CCCCOC(=O)c2coc(C3CC3)n2)CCC1 909252936 XOALAXCHPVDJTF-UHFFFAOYSA-N 288.347 3.573 30 20 CHED C#CCCCCCC(=O)Oc1ccc(C(=O)O)cc1Cl 833361992 VHJPYAOWAJWURT-UHFFFAOYSA-N 294.734 3.527 30 20 CHED C=CC[C@H](NC(=O)N[C@H](C)CC(C)(C)C)c1ccncc1 838477188 OTAVFMUMPULKCD-HIFRSBDPSA-N 289.423 3.823 30 20 CHED Cc1csc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1Cl 839060710 YRGIGEWOGDLFPZ-NXEZZACHSA-N 283.780 3.949 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2Nc2snc(C)c2C#N)cc1 588039314 QVVFBWOFOYABOB-DZGCQCFKSA-N 299.399 3.690 30 20 CHED C=CCCCOC(=O)/C=C\c1ccc(Cl)cc1 735527025 CMVJJACGZKBDNW-YFHOEESVSA-N 250.725 3.863 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@@]1(C)CC1(Cl)Cl 836911689 JWYHOSGYMBIKCY-NEPJUHHUSA-N 278.223 3.679 30 20 CHED C=CC(C)(C)COC(=O)[C@H](C)[C@H]1OCCc2sccc21 835722311 QWEATYGGYHZZSM-BXUZGUMPSA-N 294.416 3.753 30 20 CHED COc1cccc(C=NNc2ncc(Cl)cc2Cl)c1 916316763 LSLWKDLYVRAMBM-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C=C(Cl)CN(Cc1ccc(F)cc1F)C1CC1 917063677 NLHNINPEIDBBOJ-UHFFFAOYSA-N 257.711 3.682 30 20 CHED Cc1cc(C#N)ccc1OC(=O)O[C@H](C)CC(C)C 830334620 MLEQOBXYGHAKQH-GFCCVEGCSA-N 261.321 3.817 30 20 CHED COC(=O)c1ccc(NN=C2CCCC23CCC3)cc1F 835018365 MLIXVFLAOMOBEG-UHFFFAOYSA-N 290.338 3.734 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1(c2cccc(Cl)c2)CCC1 594092582 GWRLZEJXNYKBQG-CQSZACIVSA-N 290.794 3.522 30 20 CHED CC(CC(C)(C)C)=NNc1ccc(C(F)(F)F)nn1 834966884 VDTPPLURAUULIX-UHFFFAOYSA-N 274.290 3.719 30 20 CHED Cc1cc(C=NNc2cccc(C(=O)O)c2)c(C)n1C1CC1 916255387 XLIWCPWNYLNPOP-UHFFFAOYSA-N 297.358 3.584 30 20 CHED Oc1cccc(C=NNc2ccc(Br)cc2)c1 912822036 DLHMLZJAUMWOJD-UHFFFAOYSA-N 291.148 3.601 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1ccc(OC(F)F)cc1)OC 834952747 WXFKYDMOLPMPBE-ZWNOBZJWSA-N 286.322 3.747 30 20 CHED Cc1cc(F)c(CC(=O)OCCCC(C)(C)C#N)cc1F 838007615 ZIRPCJJFVGBSIW-UHFFFAOYSA-N 295.329 3.689 30 20 CHED CC1(C)CN(C(=O)[C@@]2(C#N)CC23CCCC3)c2ccccc21 590677608 DEZOWGGILSBVFX-IBGZPJMESA-N 294.398 3.785 30 20 CHED CC[C@H](C#N)c1ccc(-c2ccc(OC)cc2CO)cc1 596641205 CSHGJHFSMPADGS-CYBMUJFWSA-N 281.355 3.872 30 20 CHED C=C(Cl)COC(=O)[C@H](C)SCc1ccccc1 917284126 FMXUTXFZSOWOHC-NSHDSACASA-N 270.781 3.604 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2nc(CC)cs2)CC1 910716309 YBNPBYFEFBHMPS-LLVKDONJSA-N 278.421 3.629 30 20 CHED CC(C)(C)c1nnc(S[C@H](C#N)c2ccccc2)o1 594886015 LBKLUYPOJYDLQW-LLVKDONJSA-N 273.361 3.724 30 20 CHED Cc1cc(/C=C2/C(=O)c3ccccc3[C@@H]2C(C)C)nn1C 840718161 ACOXKPXXGMQKIG-KGZWWPETSA-N 280.371 3.748 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccnn2CC(C)C)c1 843270278 YEIGARHYTXURKI-BQYQJAHWSA-N 268.360 3.744 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(C)cc1O 917546298 KHFPCEIFSQOPGG-UHFFFAOYSA-N 275.739 3.585 30 20 CHED COc1ccc(N[C@H](C)CCc2ccco2)cc1C#N 846745213 FLKIIKMSPCDRCU-GFCCVEGCSA-N 270.332 3.593 30 20 CHED CCCCCCCCC(=O)N[C@H](C)Cc1ccccn1 847200884 CSLZBKMJXUIIOC-OAHLLOKOSA-N 276.424 3.879 30 20 CHED C[C@H](OC(=O)CCC(F)(F)F)c1cccc(C#N)c1 744099405 AYZNDQOXIZIGKA-VIFPVBQESA-N 271.238 3.505 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1ccc(Cl)nc1 743450263 NYKAESJMBMLONJ-UHFFFAOYSA-N 275.714 3.637 30 20 CHED C=CCOc1ccc(CN2C[C@@H]3[C@@H](C2)C3(F)F)cc1Cl 846111642 MPKKFQGIRZHMQX-VXGBXAGGSA-N 299.748 3.602 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@@H](C)CSc1ccccc1 844683698 CSLPCMQPTWOWQH-AWEZNQCLSA-N 289.444 3.675 30 20 CHED CC1(C)C(=NNc2ccc3ccccc3n2)[C@H]2CCCO[C@H]21 743420950 LNOQWGOQIVTDDS-CXAGYDPISA-N 295.386 3.838 30 20 CHED CC(=O)Nc1ccc(CNc2cccc(Cl)c2C#N)cc1 592961603 PMQFLHFQDUEVRO-UHFFFAOYSA-N 299.761 3.782 30 20 CHED C#CCN(C(=O)[C@@H](C)c1cccc(OC)c1)C1CCCCC1 743690018 MIEBNSLTPRXTNF-HNNXBMFYSA-N 299.414 3.593 30 20 CHED CCC(=NNc1ccc(OC(F)F)cc1)[C@@H]1CCOC1 741839511 IPNAGPJPGNEBCC-SNVBAGLBSA-N 284.306 3.502 30 20 CHED COc1ccc(/C=C/C(=O)c2coc(C(C)C)n2)c(F)c1 844551714 HBMWJPHLPKPEND-FNORWQNLSA-N 289.306 3.842 30 20 CHED CC(=NNc1nncc2ccccc12)c1ccc(F)c(F)c1 915909492 KQXSMOCBZFQOOM-UHFFFAOYSA-N 298.296 3.744 30 20 CHED N#CCC1(COC(=O)[C@@H]2CCSc3ccccc32)CC1 744278913 XUQQZZWSPPQOBO-CYBMUJFWSA-N 287.384 3.503 30 20 CHED C=CCCn1cc(/C=C2\C(=O)c3cccc(C)c3[C@H]2C)nn1 849250468 UOHZOQWRTIUEGJ-ATTDUZETSA-N 293.370 3.546 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 917301695 LQSCAIXPMIDSGW-CYBMUJFWSA-N 276.376 3.871 30 20 CHED FC(F)(F)c1cccc(NN=C2CCC[C@@H]3C[C@H]23)n1 841626621 UHVBFHIVPBBVJS-BDAKNGLRSA-N 269.270 3.688 30 20 CHED C=CCN(C(=O)Nc1ccc(SC)cc1)C(C)C 916706550 JFIFOEYDXNNKGV-UHFFFAOYSA-N 264.394 3.837 30 20 CHED CC(C)(C)c1ccc(CCCCC(=O)N2CC(C#N)C2)cc1 590487981 OUSWOKYPZKUKTB-UHFFFAOYSA-N 298.430 3.679 30 20 CHED C=CCC(CC=C)C(=O)OCCc1ncc(C)cc1C 842897357 GQNGXOXTFBATPG-UHFFFAOYSA-N 273.376 3.553 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)C2CCCCC2)c1 741493903 ULFCANVYOOSMIQ-CYBMUJFWSA-N 286.444 3.923 30 20 CHED C[C@@H]1C(=NNc2ccc(CC(=O)O)cc2)CCC[C@H]1C 848413938 FOVIZSKNYIUFNJ-NEPJUHHUSA-N 274.364 3.538 30 20 CHED C[C@H]1c2ccccc2CCN1c1nc(C#N)c(Cl)s1 596149784 QXCAEVDOKHMDIV-VIFPVBQESA-N 289.791 3.792 30 20 CHED CO[C@H](C#N)c1ccc(-c2ccc(CN(C)C)cc2)cc1 846778545 DFRMCOQNKRRXED-GOSISDBHSA-N 280.371 3.626 30 20 CHED CCO[C@H]1CC(=NNc2ccc(F)cn2)C1(CC)CC 748252529 UJAGIZPYFQGQBJ-ZDUSSCGKSA-N 279.359 3.604 30 20 CHED CCN(C(=O)c1cc2cc(C)ccc2s1)[C@@H](C)C#N 598362488 FVVZGWFJLHWDHG-NSHDSACASA-N 272.373 3.584 30 20 CHED Cc1cccc2ncc(/C=C/C(=O)c3ccc(F)cc3F)n12 748997190 AQKFDMILKRIQLM-SOFGYWHQSA-N 298.292 3.817 30 20 CHED CC(C)(C)CCNC1CCN(Cc2cccc(C#N)c2)CC1 593701036 BMVIHUDCZJSKCK-UHFFFAOYSA-N 299.462 3.548 30 20 CHED O=C(/C=C\c1coc(-c2ccccc2)n1)c1cncc(F)c1 749892883 BJKDDIHTZBINEH-SREVYHEPSA-N 294.285 3.772 30 20 CHED C[C@H](OC(=O)/C=C/c1ccsc1)c1ccc(C#N)cc1 748680967 YBDQIJMSOMGRIJ-NTYUQYKDSA-N 283.352 3.937 30 20 CHED COc1ccc(C(C)=NNc2ncccc2C)c(C)c1 841637069 FSYTYNFVXZMVSO-UHFFFAOYSA-N 269.348 3.543 30 20 CHED CCCN(CCC)c1ccc(NC(=O)C(C)(C)C#N)cc1 844891699 XXSDIMWNWVSWEL-UHFFFAOYSA-N 287.407 3.801 30 20 CHED CCCC(CCC)=NNc1ncc(Br)cn1 848421767 OLEWXRXJUOVPLD-UHFFFAOYSA-N 285.189 3.607 30 20 CHED CCOC(=O)Nc1ccc(N[C@H](C)CC(C)(C)C#N)cc1 925983549 PHIFKXCDUITECW-GFCCVEGCSA-N 289.379 3.995 30 20 CHED CCn1cc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)cn1 920991736 NMNPDLUPBOYCOX-SREVYHEPSA-N 294.276 3.818 30 20 CHED Cc1cc(F)ccc1[C@H](C)NCCc1ccc(C#N)cc1 850486175 AEVYJWDSOUDNIU-AWEZNQCLSA-N 282.362 3.899 30 20 CHED C[C@@H]1CCCCN1N=Cc1ccc2ccc(F)c(F)c2n1 853382080 SCBAYXDURTZGMX-LLVKDONJSA-N 289.329 3.721 30 20 CHED C[C@H](OC(=O)C1[C@@H]2CCCCCC[C@@H]12)C(C)(C)C#N 850906530 LHEXVTKOHKTPKE-YNEHKIRRSA-N 263.381 3.684 30 20 CHED CCCn1nc(C)c(C=NNc2cc(F)cc(F)c2)c1C 755660622 HZCDTEZMEKMZBP-UHFFFAOYSA-N 292.333 3.634 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@@H]2CC)c1 756808723 MOMRCALBULZTAM-DZGCQCFKSA-N 272.417 3.533 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C\c2ccccc2)C1 855441113 VDBVUCOQVKKVCL-YUQCYMQKSA-N 255.361 3.515 30 20 CHED C=CCC[C@@H](C(=O)NCc1ccoc1C)c1ccccc1 681660268 WEMOAULJVZEVBX-QGZVFWFLSA-N 283.371 3.954 30 20 CHED C=CCC(C)(C)C(=O)Oc1cccc(OC2CC2)c1 851346609 ITSXSCSZOASERN-UHFFFAOYSA-N 260.333 3.736 30 20 CHED CC(C)COc1ccc(/C=C2/CCn3nccc3C2=O)cc1 853009572 LWGFGDBYUSFLBD-PTNGSMBKSA-N 296.370 3.588 30 20 CHED C#CCCCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 758157034 CZBODHACNIZIGR-UHFFFAOYSA-N 296.197 3.902 30 20 CHED CC(C)c1cccc(/C=C2\CCn3nccc3C2=O)c1 853009536 LDDPJMKSHSRAHB-RVDMUPIBSA-N 266.344 3.677 30 20 CHED N#CCc1ccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)cc1 854271515 KDKCDCMGJPAGHD-LLVKDONJSA-N 297.185 3.665 30 20 CHED C=CC(C)(C)CCOC(=O)c1csc([C@@H]2CCCO2)n1 851299766 YSWSJWZZWYEVKI-LBPRGKRZSA-N 295.404 3.754 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCCN(CC2CC2)C1 856477034 LNPSLJBHCWZILP-QGZVFWFLSA-N 294.483 3.585 30 20 CHED C#CCCOC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 859146346 USMZBDGDLTVCNJ-GXFFZTMASA-N 298.169 3.599 30 20 CHED C#CCCCC(=O)OCCCc1ccccc1Cl 759173226 HNYYHPBNYPWDKN-UHFFFAOYSA-N 264.752 3.619 30 20 CHED C[C@H]1CCCCN1N=Cc1ccc2c(c1)COC(C)(C)O2 853380787 WUXQGOMFSCJCJH-ZDUSSCGKSA-N 288.391 3.540 30 20 CHED CCOc1cncc(/C=C2\CCc3sccc3C2=O)c1 857202842 UWVQIVOUQIFFJF-KPKJPENVSA-N 285.368 3.754 30 20 CHED C=C1CCN(C(=O)Nc2ccc3nn(C(C)C)cc3c2)CC1 930248259 LMAFSAWNNNQECH-UHFFFAOYSA-N 298.390 3.801 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1C 759081142 BWZINFXZDGKYAP-UTCJRWHESA-N 287.746 3.948 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNCC(F)(F)C(F)(F)F 863181371 MCLMDUIVCUMUCG-SSDOTTSWSA-N 272.261 3.586 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 760689265 KUSBFLXAMWUIRH-HNNXBMFYSA-N 283.415 3.936 30 20 CHED CC(C)C(=NNc1ncc(F)cn1)C1CCCCC1 760252975 ATYIFQXOFJMTJC-UHFFFAOYSA-N 264.348 3.620 30 20 CHED COc1cc(F)ccc1NN=Cc1ccnc2ccccc12 761886363 ZBHQCHKYTKYZBK-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C#CCC(C)(C)C(=O)OCCCc1ccc(C)cc1 767663982 GZAPSRUFIDFNDZ-UHFFFAOYSA-N 258.361 3.520 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H](C)c1sc(C)nc1C 932197101 OFYZFWGPPYQTAB-YPMHNXCESA-N 280.437 3.882 30 20 CHED CC(C)CC(=NNc1ncccc1Cl)c1ccccn1 760252817 DYZCJSCDGZUZIH-UHFFFAOYSA-N 288.782 3.992 30 20 CHED CC[C@@H]1C[C@@H](CC(=O)OCCCCC(C)(C)C#N)CCO1 768849491 GJGJHNMTVQWHMS-LSDHHAIUSA-N 295.423 3.845 30 20 CHED CCO[C@H]1CCCC1=NNc1c(C)cc(C)cc1C 766455619 SRFXKMCEVXPGCK-HNNXBMFYSA-N 260.381 3.969 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C#N)s2)ccc1C#N 766489991 HWLVZFMCEBBOFC-ZZXKWVIFSA-N 278.336 3.696 30 20 CHED COCc1csc(/C=C2\CCc3ncccc3C2=O)c1 865226673 GOXGZNAETIVLAK-XYOKQWHBSA-N 285.368 3.502 30 20 CHED CC(C)O[C@H]1CC(=NNc2cccc(F)c2)C1(C)C 764904941 PRPYAULAJHLBRA-AWEZNQCLSA-N 264.344 3.817 30 20 CHED Cc1nn(-c2ccccc2)cc1CN(CCC#N)CC(C)C 768153859 NDUAEHOBCAUMPZ-UHFFFAOYSA-N 296.418 3.552 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@]1(C)Cc1ccccc1 767430317 QDPDXLJDUDUVTB-KRWDZBQOSA-N 288.460 3.534 30 20 CHED C#Cc1cccc(NCc2cc3ccccc3nc2OC)c1 766443112 GZBNTQGGJIRBGI-UHFFFAOYSA-N 288.350 3.837 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)cnc1Cl 878923906 FJVXHODDBVLPPE-UHFFFAOYSA-N 280.799 3.862 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2oc(C)c(C)c2c1 775877275 PWTBMPJIDQVVEU-UHFFFAOYSA-N 278.739 3.924 30 20 CHED CC(CCC1CC1)=NNc1ccc(C(C)(C)C)nn1 1116640598 UKBYWOIWCYYFED-UHFFFAOYSA-N 260.385 3.752 30 20 CHED CC(C)(C(=O)OCc1cccc(C#N)c1F)C1CCCC1 774992177 OKLFMTCPQSYJTD-UHFFFAOYSA-N 289.350 3.957 30 20 CHED C[C@@H](OC1CCCCC1)C(=O)OCCCC(C)(C)C#N 1116833093 HOQXIWCUCXISFH-CYBMUJFWSA-N 281.396 3.597 30 20 CHED Cc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1 776359894 OFHCRAAAQKELHY-OAHLLOKOSA-N 257.333 3.624 30 20 CHED C[C@@H]1CCC[C@H](CNc2ccc(F)cc2OCC#N)C1 770595987 IPNATCLPZNBEIW-OLZOCXBDSA-N 276.355 3.966 30 20 CHED C=C(CC)CNc1ccc(/C=C/C(=O)OCC)cc1 773200989 NIPJJWCOPMGTSD-DHZHZOJOSA-N 259.349 3.641 30 20 CHED Fc1cccc(Cl)c1CCC=NOC1CCOCC1 774458709 QAIXXSYAIRGKPZ-UHFFFAOYSA-N 285.746 3.593 30 20 CHED CC(CN1CCCCCC1)=NNc1ccc(F)cc1F 777418214 IUAFDLYVXCPUAN-UHFFFAOYSA-N 281.350 3.629 30 20 CHED C#CC[C@H](NCc1nc2c(s1)CCCC2)c1ccccc1 776485886 BGRPXGKCMHTVRO-HNNXBMFYSA-N 296.439 3.876 30 20 CHED CC[C@@H]1CCCCC1=NNCCc1ccccc1F 779777248 OPYIXYVXGPBFJD-CYBMUJFWSA-N 262.372 3.914 30 20 CHED C#CCCCCCC(=O)Oc1cccc2ncccc12 779840384 TUNFPSJWAJONRR-UHFFFAOYSA-N 267.328 3.724 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2csc(C#N)c2)c1 1117743634 UIDLIHLQEFCZHN-GFCCVEGCSA-N 284.384 3.728 30 20 CHED CC(C)CNN=Cc1c(Cl)cccc1OC(F)F 771566775 IRPBWYVTQDVAFB-UHFFFAOYSA-N 276.714 3.521 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccccc2F)c(F)c1 772800870 CQYJEZSDGHJUJF-BQYQJAHWSA-N 269.250 3.733 30 20 CHED COC(=O)c1ccccc1NN=C[C@H]1C[C@@H]1c1ccccc1 776187618 VRAASYZXOJFFMV-GDBMZVCRSA-N 294.354 3.675 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2sccc2O)cc1F 773151073 TXVFIOHBQNLRQC-GQCTYLIASA-N 291.347 3.555 30 20 CHED COc1ccc(Cl)cc1C=NOC1CCCC1 774596284 BDXSZEJCJAQBPO-UHFFFAOYSA-N 253.729 3.642 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3ccc(C)cn23)c(O)c1 771859568 NTSJJTCLKMIRNJ-ALCCZGGFSA-N 292.338 3.553 30 20 CHED C=C1CCC(C(=O)N(CCC(F)(F)F)CC2CC2)CC1 889432264 KSIFHRARBXZJHJ-UHFFFAOYSA-N 289.341 3.924 30 20 CHED CC(C)c1nccnc1NN=Cc1cccc2cccnc12 773090979 LMOITNVPSLXQCN-UHFFFAOYSA-N 291.358 3.594 30 20 CHED C#C[C@H](C)NC(=O)N(CCCC)[C@H](C)c1ccccc1 773598431 UWRMIKQWWRSPBG-LSDHHAIUSA-N 272.392 3.581 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)Cc1ccc(F)cc1 770238169 IZUUWNUKJZZEHG-GFCCVEGCSA-N 296.345 3.823 30 20 CHED C#CC[C@H](NC(=O)N1C[C@@H](C)CC(C)(C)C1)c1ccccc1 784397620 OIWKNVDBRIZVRC-RDJZCZTQSA-N 298.430 3.829 30 20 CHED C[C@H]1CCCC(=NNCCc2ccccc2F)[C@@H]1C 781125013 IODPZSFZJRZVQA-QWHCGFSZSA-N 262.372 3.770 30 20 CHED C[C@H]1SCC[C@@H]1Nc1c(Br)cccc1C#N 1559228569 JGCUJXLJAGGQLL-KCJUWKMLSA-N 297.221 3.627 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(C#N)cc1 1125599338 LBOKFRYGWAKOAY-FHLIZLRMSA-N 298.430 3.996 30 20 CHED C=C1CCC(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)CC1 889654903 DKVRMBOORXUOKF-ZDUSSCGKSA-N 299.292 3.975 30 20 CHED N#Cc1ccc(NN=C[C@@H]2CC=CCC2)cc1Cl 783877418 KEBRVSMAPOORRY-LLVKDONJSA-N 259.740 3.966 30 20 CHED Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1CCCC2(CC2)C1 888689715 LXIMETMFRLCOKH-INIZCTEOSA-N 296.414 3.557 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 785757479 KNCJBXHCWIMUOS-CQSZACIVSA-N 297.738 3.894 30 20 CHED C#CC[C@@H](Nc1nc(C)nc2c1CCCC2)c1ccccc1 782150609 NYSONPIMJXXGPB-QGZVFWFLSA-N 291.398 3.840 30 20 CHED Cc1ccc(C)c(NC(=O)Nc2cccc(OCC#N)c2)c1 786093010 ZFJUMCPOIMQWOT-UHFFFAOYSA-N 295.342 3.850 30 20 CHED C[C@H](C(=O)OCc1ccc(C#N)cc1Cl)c1ccco1 784229272 DOQWCHIRDXHQES-JTQLQIEISA-N 289.718 3.652 30 20 CHED C=C1CCC(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)CC1 891156587 NCILINVIWZJSIT-INIZCTEOSA-N 284.403 3.738 30 20 CHED Cc1cc(C)c(NN=Cc2cc(C)ns2)c(C)c1 785457884 TUFDOBLYDVUXOO-UHFFFAOYSA-N 259.378 3.823 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1cn(C)nc1C1CC1)C2=O 899383793 BYOSLFUEBWKBTK-DHDCSXOGSA-N 292.382 3.737 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(C2CC2)nc2ccc(C)cc12 781183718 SHWMGOKWIUGSHR-ZDUSSCGKSA-N 294.354 3.880 30 20 CHED C=C1CC(c2noc(-c3c([N+](=O)[O-])ccc(C)c3C)n2)C1 896875559 HIQWEDMYHGGLDN-UHFFFAOYSA-N 285.303 3.695 30 20 CHED COc1ccccc1/C=C1/CCc2ccc(O)cc2C1=O 794960286 QFNHDRWAZNESSL-UVTDQMKNSA-N 280.323 3.613 30 20 CHED C[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)CC[C@H]1C 1208346049 KNKUORDODYBRSN-SUNKGSAMSA-N 289.354 3.644 30 20 CHED CCCCCCCS(=O)(=O)N(CCC)c1cccnc1 799639597 MBVZJGQCRLULQU-UHFFFAOYSA-N 298.452 3.598 30 20 CHED C=C(C)CNC(=S)Nc1cccc(COC(C)(C)C)c1 899594397 BUBSRBUFJFENGX-UHFFFAOYSA-N 292.448 3.864 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)CCc2ccc(O)cc21 794959843 FDTVNLDMLVXVAY-GHXNOFRVSA-N 285.730 3.653 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(OC(F)(F)F)cc2)C1 799720641 KSJOITKVINUZHZ-ONGXEEELSA-N 270.254 3.689 30 20 CHED Cc1cc(C(=O)/C=C2/COc3ccc(F)cc32)oc1C 799896023 FZALBLGPMZXXEB-WDZFZDKYSA-N 272.275 3.694 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)Cc1cccc2ccccc12 791066199 GJPBBZHGZBYOQZ-QGZVFWFLSA-N 294.398 3.783 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC[C@@H]1c1ccccn1 794854578 IHZOQDJGPZWNCR-GFCCVEGCSA-N 296.330 3.725 30 20 CHED C#CCCCNC(=O)c1ccccc1NC1CCCCC1 795141094 VURWIPDXHGAJLI-UHFFFAOYSA-N 284.403 3.574 30 20 CHED C/C(=C\Cl)CSc1cc(C#N)ccc1[N+](=O)[O-] 797830571 WQCOHOUVAUZJOM-VMPITWQZSA-N 268.725 3.701 30 20 CHED C#CCN(C(=O)CC(C)(C)C1CCCCC1)C1CC1 793816421 AMENSHUEYOEXFR-UHFFFAOYSA-N 261.409 3.607 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(C(=O)N(C)C)cc1 792871720 JIRSCNZGPLOQRU-UHFFFAOYSA-N 295.386 3.533 30 20 CHED Cn1c(NN=Cc2ccsc2Cl)nc2ccccc21 790158998 YWCQVHHFVIJIHX-UHFFFAOYSA-N 290.779 3.734 30 20 CHED FC(F)c1ccc(C=NN=c2cc[nH]cc2Cl)cc1 794515971 FLALWRKGVSLKBS-UHFFFAOYSA-N 281.693 3.541 30 20 CHED C#CCN(Cc1cnc(C(C)(C)C)nc1)C1CCCCC1 793584548 OIAHVWWUOUTKET-UHFFFAOYSA-N 285.435 3.542 30 20 CHED C#C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(C)C 799048494 LZDIFSMBFXMQIJ-AWEZNQCLSA-N 298.213 3.700 30 20 CHED N#Cc1nc(NC[C@@H]2CCC[C@@H]2C2CC2)sc1Cl 1307142787 UGUJUNFCNGWDPP-VHSXEESVSA-N 281.812 3.906 30 20 CHED N#Cc1cc(F)ccc1NC(=O)CCC1CCCCC1 135153137 UHDKIPGTIXSEML-UHFFFAOYSA-N 274.339 3.996 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H](C2CCCC2)C1 1473567694 WGCIFNULAOMYKV-HNNXBMFYSA-N 272.367 3.709 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 1310873041 RLPVOJGMSTXLCN-VNHYZAJKSA-N 285.391 3.813 30 20 CHED CCCN(CC1CCCCC1)c1ncc(C#N)cc1F 1162238309 OSXCMENPKRKLIA-UHFFFAOYSA-N 275.371 3.889 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 1230462550 CTCRIDHVPINYIF-CYBMUJFWSA-N 294.826 3.793 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(C)cc1O 1318626335 PKLLAAMRGGNEDO-UHFFFAOYSA-N 298.390 3.624 30 20 CHED C[C@H](OC(=O)CC(C1CC1)C1CC1)c1cccc(C#N)c1 1324771395 FEMXODCHHCFEDF-LBPRGKRZSA-N 283.371 3.989 30 20 CHED CCC[C@@H](C#N)NC(=O)CCCC1CCCCC1 555134635 AXPFJQUVBZNUPH-AWEZNQCLSA-N 250.386 3.545 30 20 CHED Cc1ccc(OCc2nnc(C#CC(C)(C)C)o2)cc1C 1327317965 KTUPLQMNHRILHR-UHFFFAOYSA-N 284.359 3.663 30 20 CHED N#CCC1(COC(=O)c2[nH]ccc2-c2ccccc2)CC1 1327977957 FTGSDUXZDCJRCK-UHFFFAOYSA-N 280.327 3.532 30 20 CHED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1ccccc1O 1322496250 YPLLVGHPTXNXDF-XFXZXTDPSA-N 293.366 3.889 30 20 CHED N#CCCCCNc1ccc(C#N)c(Br)c1F 1337836551 BAECHZREZOYVQP-UHFFFAOYSA-N 296.143 3.566 30 20 CHED COc1ccc(CNCc2ccc(Cl)cc2)cc1C#N 87822806 GCXSEVLGUIGGSG-UHFFFAOYSA-N 286.762 3.510 30 20 CHED CC[C@@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191868 NVQNBRPDVJJRRP-MRVPVSSYSA-N 270.254 3.562 30 20 CHED N#CCCSc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 1335304666 ATSRAFNXTOWCDL-UHFFFAOYSA-N 276.239 3.619 30 20 CHED N#CC1(CCCCN[C@H](CCO)c2cccs2)CCC1 1332840045 SIRSDCBJZYMCFB-CQSZACIVSA-N 292.448 3.625 30 20 CHED C[C@H]1CC[C@H](c2nnc(-c3cccc(C#N)c3)o2)C1 1261570326 MPSVVUQXSVYVRR-GWCFXTLKSA-N 253.305 3.512 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C)(C)C1(C)C 1340696534 FDWWVHXEWNRXSN-UHFFFAOYSA-N 271.364 3.519 30 20 CHED C[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(F)c1 1344822984 ASESZAHYCHHVCL-DMDPSCGWSA-N 293.313 3.694 30 20 CHED CC(C)CCCCCC(=O)[C@H](C#N)c1ncc(Cl)n1C 1344322372 MXSRFCQWTJCJPX-LBPRGKRZSA-N 295.814 3.856 30 20 CHED C(=NN[C@H]1CCSC1)c1ccc(-c2ccccc2)s1 1261129208 LMDHHGWTUMIHJE-ZDUSSCGKSA-N 288.441 3.844 30 20 CHED Cc1ccc2c(CC(=O)O[C@H]3CC[C@H](C#N)C3)coc2c1 1344016534 GVDQIDZVMQDHCA-JSGCOSHPSA-N 283.327 3.519 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1 1436540306 RMDYPTNSPZCGPQ-ZBFHGGJFSA-N 270.376 3.504 30 20 CHED CCN(C(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1F 1459552593 YSYZEDMVUDRHLN-UHFFFAOYSA-N 292.697 3.610 30 20 CHED CC1(C)C[C@@]1(CNc1ncc(C#N)cc1F)c1ccccc1 1458497040 VFTRBMFEQODMAG-GOSISDBHSA-N 295.361 3.872 30 20 CHED COc1cc(C#N)ccc1C(=O)Nc1cscc1Cl 1537303271 UBKQWSACMNBCHN-UHFFFAOYSA-N 292.747 3.534 30 20 CHED COc1cccc2c1CCN(CCC1(C#N)CCCCC1)C2 1473373478 CPCPWKBHUCSNDX-UHFFFAOYSA-N 298.430 3.917 30 20 CHED CCc1ccc2ccccc2c1CN=c1cc[nH]c(C#N)c1 1472872170 JQPLAPGOCSCBNT-UHFFFAOYSA-N 287.366 3.703 30 20 CHED N#CCOc1ccc(CSc2cccc(F)c2C#N)cc1 1473037674 GEKQONBLUMMZOP-UHFFFAOYSA-N 298.342 3.892 30 20 CHED CNc1ccc(Cl)c(C(=O)N(C)c2cccc(C#N)c2)c1 1626630047 PWBPJZXFKVQAHY-UHFFFAOYSA-N 299.761 3.530 30 20 CHED Cc1ccc2ccnc(NC(=O)c3cccc(C#N)c3)c2c1 1628020227 XAMBGFMSMNZVSR-UHFFFAOYSA-N 287.322 3.667 30 20 CHED COc1ccccc1SCC(=O)[C@@H](C#N)c1ccccc1 1640883867 RAXOABCIRLKKLF-AWEZNQCLSA-N 297.379 3.664 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)C(C)(C)C#N 1586673597 ROAMCMDJCJWZIG-AWEZNQCLSA-N 266.429 3.991 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1snc(C)c1C#N)CCC2 1650888025 OYBFXURNFHNWOE-HNNXBMFYSA-N 299.399 3.821 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccn1 1653758560 FCSMDLSTACJEFO-HZPDHXFCSA-N 271.408 3.648 30 20 CHED Cc1cc(SCc2scnc2C)ccc1C#N 1656666932 MGRBWWPKQQBKSY-UHFFFAOYSA-N 260.387 3.924 30 20 CHED CC(C)(C#N)c1ccccc1CN1Cc2ccccc2CO1 1659872402 XCIUDZBYRMOWAK-UHFFFAOYSA-N 292.382 3.935 30 20 CHED C=CC[C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C(=O)O 1776151969 MFTOORJBPRYVFV-CYBMUJFWSA-N 289.375 3.870 30 20 CHED C=C(CC)CN1CCC2(CCC(CC(=O)O)CC2)CC1 1776141423 CWISNRCTBWSYAK-UHFFFAOYSA-N 279.424 3.700 30 20 CHED Cc1c(NN=C2CC[C@H](C)C[C@@H]2C)cccc1C(=O)O 1776087482 FNJCMINSQOMCJK-QWRGUYRKSA-N 274.364 3.917 30 20 CHED O=C(O)c1cc(NN=CC2[C@@H]3CCCC[C@@H]23)ccc1Cl 1776034812 ZXQNIIVIAFEYFT-GHMZBOCLSA-N 292.766 3.872 30 20 CHED COc1cc(C(=O)O)ccc1/C=C/C(=O)c1ccc(C)cc1 1776114668 WPQSRTHQSRVFFQ-MDZDMXLPSA-N 296.322 3.598 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccc(F)cc2C#N)n1 150931771 PAVCKWATOSFKIC-KRWDZBQOSA-N 281.334 3.742 30 20 CHED C=CCN(C)C(=O)/C=C/c1ccccc1O[C@@H](C)CC 161538304 YWLLLOGFAXRWSV-GETOMWPZSA-N 273.376 3.522 30 20 CHED Cc1c(Cl)cc(NC(=O)N[C@H](C)CC#N)cc1Cl 158656652 ZCYRVPMCCAFOJF-SSDOTTSWSA-N 286.162 3.726 30 20 CHED Cc1nnc(-c2ccc(NCC(C)(C)CCC#N)cc2)o1 151403534 CKOSEYCTBINHRZ-UHFFFAOYSA-N 284.363 3.787 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc(C)cc2C)CC1 153016519 VQIBZWHWZQETGQ-KRWDZBQOSA-N 286.463 3.995 30 20 CHED Cc1ccccc1NC(=O)c1ccc(C#N)c(Cl)c1 153473544 LHNVTLOIZKITBV-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C=CCCOCCN[C@H](C)c1ccccc1Br 155639103 WAZUKAZWVJEMTG-GFCCVEGCSA-N 298.224 3.692 30 20 CHED CCCCCCCC(=O)N(C)Cc1cc(Cl)cn1C 154074378 LVYUQPKLICVUHL-UHFFFAOYSA-N 284.831 3.997 30 20 CHED CC(C)(C#N)CCOc1ccc(Br)cc1C#N 157470474 VJGLXESXGOQRBU-UHFFFAOYSA-N 293.164 3.639 30 20 CHED CCCCc1nc(CN(CC#N)C2CCCC2)cs1 156594948 YKBXZRXYPCCLKD-UHFFFAOYSA-N 277.437 3.754 30 20 CHED CCC1CCN(c2c(Br)cccc2C#N)CC1 1639477924 JLEUNFWJGAKRCW-UHFFFAOYSA-N 293.208 3.947 30 20 CHED C=C(Cl)COC(=O)CCc1ccc(OC)c(Cl)c1 818376024 YFHYFCOEZWODGF-UHFFFAOYSA-N 289.158 3.577 30 20 CHED C#CCSCCN[C@H](C)c1cccc(C(F)(F)F)c1 222114346 FOPMJDIBCFZTPH-LLVKDONJSA-N 287.350 3.722 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(F)ccc1Cl 231820234 IEESYJGISNQTEN-UHFFFAOYSA-N 268.719 3.748 30 20 CHED N#CCCCc1nc(CSc2ccc(Cl)cc2)no1 236059536 AOLDKBWDBURCJK-UHFFFAOYSA-N 293.779 3.862 30 20 CHED N#Cc1ccc(CN2CCC[C@H]3CCCC[C@@H]32)c(F)c1 11470709 PYTZUEYTHRZMAS-PBHICJAKSA-N 272.367 3.852 30 20 CHED COc1ccc(C#N)cc1CN(C)C1CCC(C)CC1 130422700 YSMMLFDTPUZSQJ-UHFFFAOYSA-N 272.392 3.577 30 20 CHED COc1ccc(C#N)cc1COc1cccc(C)c1C 130511194 RHUOYYTZIOWQHW-UHFFFAOYSA-N 267.328 3.763 30 20 CHED N#Cc1ccc(CNc2ccnc3ccccc23)cc1 41720806 GCPBKPXHMCQVKV-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3ccccc23)C[C@@H]1C 161623670 ARLINZJITCZJBB-STQMWFEESA-N 265.360 3.589 30 20 CHED N#Cc1ccc(-c2nc([C@H]3CCC(F)(F)C3)no2)cc1 281432916 PKHDJTLMOHMTSE-NSHDSACASA-N 275.258 3.511 30 20 CHED C=C(C)COCCNCC1CCC(C(F)(F)F)CC1 183734795 KHGHIUVSZPHMEK-UHFFFAOYSA-N 279.346 3.537 30 20 CHED Cc1ccc(C#N)cc1NCCCOc1ccccc1 61815799 WJAXLYBVAKLGLX-UHFFFAOYSA-N 266.344 3.748 30 20 CHED C[C@@H]1CC[C@H](Nc2nc3c(cc2C#N)CCC3)[C@H](C)C1 70543450 XEILRCIOQFQDLQ-JMSVASOKSA-N 269.392 3.679 30 20 CHED CSCCCSCc1ccc(C#N)cc1C 320657974 XKGADFSZURMNQO-UHFFFAOYSA-N 251.420 3.853 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cnn(Cc2ccccc2)c1 467412519 IRTTYCQQELIKBS-CRAIPNDOSA-N 283.419 3.937 30 20 CHED Cc1ccsc1CNc1ncc(C#N)cc1Cl 339131266 BWUJULLOJPBCNE-UHFFFAOYSA-N 263.753 3.589 30 20 CHED Cc1nc(NCc2nc(C)c(C)s2)c(Cl)cc1C#N 360049113 BNEPYOKSAWLEMH-UHFFFAOYSA-N 292.795 3.601 30 20 CHED C=CCC1(NCCc2ccc([N+](=O)[O-])cc2)CCCC1 595780295 QCGMOGGMEQQBDA-UHFFFAOYSA-N 274.364 3.616 30 20 CHED C=CCCCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 381790352 AASDXRIMASAPCT-CYBMUJFWSA-N 262.353 3.910 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccc(C#N)c(C)c1 796640229 VAJHSYXURBMZQZ-UHFFFAOYSA-N 274.367 3.502 30 20 CHED CC(=NOCc1ccccc1)c1cccc(F)c1F 776259446 JVPCAZXUEGLDRB-UHFFFAOYSA-N 261.271 3.906 30 20 CHED C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C#N)cc1 4836569 YAWSVWOYFQYCJE-CYBMUJFWSA-N 296.395 3.819 30 20 CHED Cc1ccc(CCNCc2ccc(C#N)s2)c(C)c1 176956216 YRRYKKXHUBICNO-UHFFFAOYSA-N 270.401 3.569 30 20 CHED C[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23446973 VUHBIOCONLOPIE-FZKQIMNGSA-N 291.350 3.924 30 20 CHED C=C(C)CN(CC)Cc1csc(-c2ccoc2)n1 108491934 WRSPJUYOHTWSOI-UHFFFAOYSA-N 262.378 3.801 30 20 CHED N#Cc1cccc(/C=C2/Cc3cc(F)ccc3C2=O)c1 172044798 LYTTWUAMGQESIU-AUWJEWJLSA-N 263.271 3.520 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 116853100 WMDQKFJWUAKZRV-WDEREUQCSA-N 283.824 3.901 30 20 CHED C#CCCSc1nnc(CCC2CCCCC2)o1 179268980 HAEXXESEAHJNLW-UHFFFAOYSA-N 264.394 3.698 30 20 CHED CCCc1nc(C)c(C(=O)Nc2cc(C#N)ccc2C)s1 63962120 GMWJRPWYLONBTM-UHFFFAOYSA-N 299.399 3.836 30 20 CHED CN(Cc1cc(C#N)ccc1F)[C@H]1CCc2ccccc21 29489402 SHEXXWUMRLDSCC-SFHVURJKSA-N 280.346 3.817 30 20 CHED COc1cccc(N/C(N)=N/C[C@@H](C)c2ccc(C)cc2)c1 304765107 YWDPCQVGVUPNHK-CQSZACIVSA-N 297.402 3.534 30 20 CHED N#C[C@H](OC(=O)[C@H]1C[C@H]1c1cccc2ccccc12)C1CC1 176064571 QBCWQANJEPDIED-BZSNNMDCSA-N 291.350 3.789 30 20 CHED C[C@@H](Nc1ncnc2sccc12)c1cccc(C#N)c1 301426579 HCEJGWQIXHDCCC-SNVBAGLBSA-N 280.356 3.736 30 20 CHED N#Cc1cccnc1N[C@H]1CCC[C@H]1Cc1ccccc1 301338334 DCVULOSHDMBWEP-RDJZCZTQSA-N 277.371 3.777 30 20 CHED C#CC[C@@H](C)OC(=O)c1csc(-c2ccccc2F)n1 176226692 NHBAEWWWQKLNTM-SNVBAGLBSA-N 289.331 3.518 30 20 CHED C=CCCCC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 179106341 QJOGHEFXNUGHJK-NVXWUHKLSA-N 287.403 3.627 30 20 CHED CC(C)(CCC#N)CNCc1ncc(-c2ccccc2)cn1 185877747 RPYVDRUOEZFOEL-UHFFFAOYSA-N 294.402 3.563 30 20 CHED CC(C)n1cccc1C(=O)Nc1ccccc1O[C@H](C)C#N 180348730 DEZKGDGQDNGTSJ-CYBMUJFWSA-N 297.358 3.612 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1ccc(C#N)s1 179910679 DYIPJDKMNXMIHG-LBPRGKRZSA-N 268.385 3.567 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCC[C@@H](O)CC)cc1 128324216 IELBABMCOKEFDA-HIFRSBDPSA-N 297.826 3.630 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc(C(C)(C)C)s1 426553800 RLZQGDSNVPQQPD-GFCCVEGCSA-N 264.438 3.981 30 20 CHED C=CCNC(=O)N[C@H](CC(C)C)c1ccccc1C 303520244 PNOIDAGGEJKLQJ-OAHLLOKOSA-N 260.381 3.567 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc3cccnc23)C1 185788679 QNIBICKBXLRNIS-GXTWGEPZSA-N 251.333 3.729 30 20 CHED C[C@@H](NC(=O)CCc1ccccc1F)c1cccc(C#N)c1 75267918 WOECDTAOUMNKHL-CYBMUJFWSA-N 296.345 3.507 30 20 CHED C=CC[C@@H](C(=O)NCCOCCC(C)C)c1ccccc1 188698601 IOSIZKSXTMCBJX-QGZVFWFLSA-N 289.419 3.525 30 20 CHED CCCc1ccc(C(=O)CSc2cc(C#N)ccn2)cc1 71918334 YHYQSRYJGCBBNK-UHFFFAOYSA-N 296.395 3.881 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)c1cccc(F)c1 604515108 VVWSLYAEBGFEOE-NSHDSACASA-N 270.307 3.879 30 20 CHED CC#CCCCC(=O)OCc1cc2ccccc2o1 185078653 HIGBZBFAXRFSKF-UHFFFAOYSA-N 256.301 3.670 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(C)cccc1Cl 186307394 MCWNWDKFAXKKHF-JTQLQIEISA-N 252.745 3.735 30 20 CHED CO[C@@]1(C)CCCN(CCCCC(C)(C)C#N)CC1 366477430 NTVPALNTPUEMAO-INIZCTEOSA-N 266.429 3.597 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1csc2ccccc12 122953217 CYCAIEWAOGUGEJ-CQSZACIVSA-N 275.417 3.660 30 20 CHED C[C@](CO)(NCCC1(C#N)CCCCC1)C1CCCCC1 411284868 PIWSVJLUWSCXCU-QGZVFWFLSA-N 292.467 3.771 30 20 CHED CS[C@@H]1CC[C@H](Nc2cc(Cl)ccc2C#N)C1 78476390 CEDKBUDXGWRHHE-NWDGAFQWSA-N 266.797 3.908 30 20 CHED Cc1cc([N+](=O)[O-])ccc1OCCCC(C)(C)C#N 131437883 HLEZZIUZGRNGCV-UHFFFAOYSA-N 262.309 3.612 30 20 CHED CC(C)[C@H]1CCCN(CCCC2(C#N)CCOCC2)CC1 410369862 GEDJWILJMOZKFP-KRWDZBQOSA-N 292.467 3.845 30 20 CHED C=CCc1ccccc1OCc1cc(C)c(C(=O)OC)o1 503740046 PPVZJTGDYYWQJW-UHFFFAOYSA-N 286.327 3.682 30 20 CHED N#CCc1ccc(NC(=O)c2cnc3ccccc3c2)cc1 319380664 ROLPXNGIQVXODN-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CC(C)(C#N)CCSc1ncnc2ccsc12 78954644 PDABSALAOITEQP-UHFFFAOYSA-N 263.391 3.723 30 20 CHED CCOc1cc(C)ccc1N[C@@H]1CCC[C@H](C#N)C1 185739608 VQCZNJBZGMIBLP-UONOGXRCSA-N 258.365 3.888 30 20 CHED CC[C@@H](NCc1ccc(F)c(C#N)c1)c1nc(C)cs1 184417766 NCEFFCMFIBZIRM-CQSZACIVSA-N 289.379 3.703 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC)cc1C 183090561 LYLTWYQHWDPXQH-CYBMUJFWSA-N 276.380 3.870 30 20 CHED C[C@@H](NC(=O)c1sccc1C1CC1)c1cccc(C#N)c1 75268210 HTQUNDKPXVYYEP-LLVKDONJSA-N 296.395 3.988 30 20 CHED C=CCCO[C@H](C)C(=O)NCc1ccc(C)c2ccccc12 412478082 XBVAVBAYIMCWMP-OAHLLOKOSA-N 297.398 3.746 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1cccc(F)c1 182629777 PCOJNSMQGGVDQG-STQMWFEESA-N 263.356 3.790 30 20 CHED C=CC1CCN(C(=O)CCc2ccc3[nH]ccc3c2)CC1 180639517 XXHIKSRABVOLIX-UHFFFAOYSA-N 282.387 3.525 30 20 CHED CCCc1cc(C(=O)[C@H](C#N)c2ccccn2)sc1C 72594891 DNLWYOJADXZLLQ-CYBMUJFWSA-N 284.384 3.894 30 20 CHED Cc1c(C#N)cccc1NCc1cc2ccccc2nc1O 181452687 AJSDZPSADHHIOO-UHFFFAOYSA-N 289.338 3.733 30 20 CHED CCCCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 185091448 GECSYIRJMRFPME-UHFFFAOYSA-N 288.435 3.888 30 20 CHED CCC[C@H]1CCc2c(sc(=O)n2CC2(C#N)CCC2)C1 418917793 YSBMKCZYFCKRLI-LBPRGKRZSA-N 290.432 3.509 30 20 CHED Cc1cccc(S(=O)(=O)CCC2(C#N)CCCCC2)c1 414200095 ASEHPICAHCUOMP-UHFFFAOYSA-N 291.416 3.633 30 20 CHED CCCC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412363936 KBRROLSXDLCUIA-XOKHGSTOSA-N 284.403 3.699 30 20 CHED C[C@H]1CCc2nc(CNc3cccc(C#N)c3)sc2C1 132886984 OBUQFPVZUXRLKM-NSHDSACASA-N 283.400 3.752 30 20 CHED C=C(C)CCc1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 508644059 SRLPDHHYAVKJES-CLFYSBASSA-N 285.303 3.657 30 20 CHED C[C@H](Nc1ccc(F)cc1OCC#N)C1CCCC1 192703959 JGZCHIUSTBMSTH-NSHDSACASA-N 262.328 3.719 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1c(C)noc1C 421202275 QEBNSVKQAWYPQY-UHFFFAOYSA-N 276.723 3.704 30 20 CHED C[C@H](CC(=O)Nc1ccccc1C#N)c1ccc(F)cc1 41130444 UAMZBXYXGPVQGO-GFCCVEGCSA-N 282.318 3.830 30 20 CHED Fc1ccc(C#CCN2CCC[C@@H](CC(F)(F)F)C2)cc1 420955419 WLMQYGQXOODULL-AWEZNQCLSA-N 299.311 3.842 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(OC)ccc1Cl 424614984 IBKGOPXBXPXXIR-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C[C@@H](SCc1ccc(C(N)=O)cc1)c1cccc(C#N)c1 190781804 NCLXYLVZZAEBFL-GFCCVEGCSA-N 296.395 3.652 30 20 CHED C[C@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(C#N)cc1 510044647 WTDVNMYASLOJPO-ZIAGYGMSSA-N 284.403 3.952 30 20 CHED COCCCCNc1ccccc1Oc1ncccc1C#N 89658555 RSHHIQUBRAQQNF-UHFFFAOYSA-N 297.358 3.584 30 20 CHED N#CC1(C(=O)NCc2ccc3ccccc3c2)CCCC1 45401865 CCHLHFLIOJXMKF-UHFFFAOYSA-N 278.355 3.540 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2CCCc3ccccc32)C1 328727374 DEAFYGXLENNYPT-CQDKDKBSSA-N 286.375 3.776 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(C(C)=O)cn1)c1ccccc1 131230086 WXLJGQGZDDDMCI-CQSZACIVSA-N 294.354 3.583 30 20 CHED C[C@@]1(C(O)=Nc2ccc3ccoc3c2)CCCOC1 329848541 RNWVFIDXVPWPGI-OAHLLOKOSA-N 259.305 3.838 30 20 CHED CN(CCCCc1ccccc1)C(=O)c1cccc(C#N)c1 46632349 VWHIZXWDSQKHII-UHFFFAOYSA-N 292.382 3.653 30 20 CHED CCC[C@@H](CC)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425434650 QKXWVZXDWMVHIA-CZUORRHYSA-N 287.407 3.839 30 20 CHED C=CCCCC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 88234063 VNZQIJHXMMAJRO-UHFFFAOYSA-N 297.358 3.909 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 84591220 NMJSUXIJQRUBMD-CXAGYDPISA-N 280.371 3.752 30 20 CHED CCc1ccc(/C(O)=N/[C@@H]2CCC[C@H]2C)cc1[N+](=O)[O-] 330377926 FNNIEHSAGWBLRV-ZWNOBZJWSA-N 276.336 3.650 30 20 CHED C=CCC1(C(=O)NCc2nc3ccccc3o2)CCCC1 425313073 KXWWFZMTXJPROR-UHFFFAOYSA-N 284.359 3.581 30 20 CHED C[C@@H](NCc1cnc(C2CC2)s1)c1ccc(C#N)cc1 532395678 SPJVGISFEMQJIZ-LLVKDONJSA-N 283.400 3.743 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 336245186 LSGDXOSRNASTCV-XPTSAGLGSA-N 297.185 3.502 30 20 CHED N#Cc1cccnc1N1CC[C@@H]1c1ccc(Cl)cc1 334186912 FXTKFDZGHFNTGV-CQSZACIVSA-N 269.735 3.558 30 20 CHED Cc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)co1 336168592 ZNQKBHWIRHRRNV-SJORKVTESA-N 294.354 3.500 30 20 CHED C[C@H](C(=O)Nc1c(F)cccc1F)c1cccc(C#N)c1 336340309 GNBWOZPKYOREPO-JTQLQIEISA-N 286.281 3.579 30 20 CHED C[C@@H]1CCC[C@@H](CN(CCC#N)Cc2cccnc2)C1 179360277 IGUBHGRGDVNPPZ-HZPDHXFCSA-N 271.408 3.624 30 20 CHED N#CCCC1CCN(c2ccc(C#N)c(Cl)c2)CC1 335379885 OTFKSDCBTHLAGF-UHFFFAOYSA-N 273.767 3.732 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(F)cc1C#N 97473080 POYAHNXFZASZOA-SNVBAGLBSA-N 287.294 3.515 30 20 CHED C[C@@H](COCC(F)(F)F)Nc1ccc(Cl)cc1C#N 511426395 FQDINOBCVUKUAF-QMMMGPOBSA-N 292.688 3.591 30 20 CHED CC[C@]1(C)CCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)C1 330929643 NNGXCURAGRZSBO-NVXWUHKLSA-N 285.391 3.647 30 20 CHED Cc1ccc(OC(F)F)c([C@@H](C)NCC2(CC#N)CC2)c1 430757570 WNJFZZKDFZGUEW-GFCCVEGCSA-N 294.345 3.941 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc3sccc3c2)C1 334431577 WFRYXYLYHBMSJN-RISCZKNCSA-N 256.374 3.683 30 20 CHED C=C[C@@H](C)NCc1ccc(-c2c(F)cccc2F)o1 237410542 UPRTTWNAZVHUKJ-SNVBAGLBSA-N 263.287 3.889 30 20 CHED CN(c1ccccc1)C1CCN(CC(C)(C)CCC#N)CC1 92643397 HDLAZYUFEYDWFK-UHFFFAOYSA-N 299.462 3.917 30 20 CHED CCCC[C@@H]1CCC[C@H]1/N=C(/O)c1csc(O)n1 330998929 VZROMVLIUBOAHD-NXEZZACHSA-N 268.382 3.512 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C(C)C)C1CCCC1 337905292 UIRXPNQAYGYAAI-UHFFFAOYSA-N 270.376 3.660 30 20 CHED C=C(C)COCCN[C@@H]1C[C@H](C)Sc2sccc21 90451340 DBKOFFAVOWKDNC-WCQYABFASA-N 283.462 3.856 30 20 CHED CCN(C(=O)[C@@H](C)C#N)C(c1ccccc1)c1ccccc1 430987999 IIINEFDMAMICMW-HNNXBMFYSA-N 292.382 3.784 30 20 CHED C=CCC1(C(=O)Nc2cc(O)ccc2C)CCCC1 529921893 GGHHHLNUIHEAMB-UHFFFAOYSA-N 259.349 3.776 30 20 CHED Cc1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1 340679433 ALSBSZLOQLYJRY-UHFFFAOYSA-N 299.443 3.981 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1cccc2cc[nH]c12 432555567 GSVFITHJTLHOLB-UHFFFAOYSA-N 285.391 3.569 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCO[C@H](c3ccccc3)C2)C1 248825741 LXSYMGSCFHCDBE-UBDQQSCGSA-N 284.403 3.579 30 20 CHED CC[C@H](c1ccccc1OC)N(C)CCCSCC#N 347551006 APCNWHFGEMLEQQ-OAHLLOKOSA-N 292.448 3.725 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@H]1CC[C@@H](C)C1 345489841 RSAFPICGVXNKTO-ZBFHGGJFSA-N 278.440 3.991 30 20 CHED C=CCC(C)(C)CNC1CCN(CCC(F)(F)F)CC1 521278093 FHBQMYMAPREZEN-UHFFFAOYSA-N 292.389 3.595 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C#N)c1 524534897 OUCDXPOXZVANCF-SJORKVTESA-N 299.418 3.716 30 20 CHED Cc1ccc(C)c2sc(NC(=O)C3(C#N)CCC3)nc12 609853430 HUPIUAMAHFESCT-UHFFFAOYSA-N 285.372 3.546 30 20 CHED CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C#N)c1)C(F)(F)F 436109836 AXWSBLFHUCAXSP-SKDRFNHKSA-N 299.296 3.657 30 20 CHED N#Cc1cnccc1/C=C/c1cccc(OC(F)F)c1 349109268 MKRJOPBCFDRHSX-SNAWJCMRSA-N 272.254 3.725 30 20 CHED C[C@H](CCC#N)CNCCc1cccc(Br)c1 602689448 UIPFKQWFBKAMNG-GFCCVEGCSA-N 295.224 3.521 30 20 CHED CCN(CCCOc1cccc(Cl)c1)C[C@H](C)C#N 523692360 LBHHCFYSBCBYSU-CYBMUJFWSA-N 280.799 3.590 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(C#N)cc1 522981128 ZRTPRMMFSIOKNU-DLBZAZTESA-N 299.418 3.716 30 20 CHED COC(=O)c1cccnc1S[C@H](C)c1ccc(C#N)cc1 344854052 AHPNBTZZUXYEIQ-LLVKDONJSA-N 298.367 3.593 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)C)c(Cl)c1Cl 448842432 CAQXJGLFYDBLRQ-CQSZACIVSA-N 299.201 3.970 30 20 CHED CC[C@H](Nc1cncc(C#N)n1)c1cc(C)ccc1C 528225300 WKVJQSDYFXCCNE-HNNXBMFYSA-N 266.348 3.528 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3ccccn23)s1 255138653 OVRVCVJJRDCOSU-SREVYHEPSA-N 268.341 3.600 30 20 CHED C[C@H](SC[C@H]1CCO[C@H]1C)c1cccc(C#N)c1 601053489 HFYKBVFUHAFSFI-SLEUVZQESA-N 261.390 3.777 30 20 CHED CCOc1cccc([C@@H](C)NC[C@H](C)CCC#N)c1 602530160 DWVAYWNDJHDYAV-ZIAGYGMSSA-N 260.381 3.676 30 20 CHED C=CCCCCCOc1ccc(NC(C)=O)cc1F 447325966 MRYXNWXADMXOGG-UHFFFAOYSA-N 265.328 3.909 30 20 CHED Cc1ccc2sc(C(=O)N(C)C[C@H](C)C#N)c(C)c2c1 446102332 ZUFYDKPQULKFJC-LLVKDONJSA-N 286.400 3.750 30 20 CHED C=CCOc1cccc(NC(=O)[C@H]2Cc3ccccc32)c1 358298880 FHDNATQEDWOBHR-KRWDZBQOSA-N 279.339 3.530 30 20 CHED COc1cccc(C2CCN(C[C@@H](C)CCC#N)CC2)c1 602455169 WCOIHACDNYHYMK-HNNXBMFYSA-N 286.419 3.814 30 20 CHED C=CCCCCCN(C)C(=O)NCCc1ccc(F)cc1 606916582 JQYKOSRGSWBTBK-UHFFFAOYSA-N 292.398 3.756 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)[C@]1(C#N)C[C@H]1C 448672108 ZMGYWTYBFFMRKU-KUHUBIRLSA-N 292.382 3.738 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)c1ccc(Cl)c(Cl)c1 448581126 ISKZUYXLSIRQFB-UINNMSKDSA-N 297.185 3.720 30 20 CHED C=CCCSc1nnc(-c2ccncc2)n1CC(=C)C 269033230 WMKWQVNVLKZLJT-UHFFFAOYSA-N 286.404 3.584 30 20 CHED N#Cc1cccc(CN2CCCc3c(F)cccc32)c1 531140237 NPMKVDIDAWXXEB-UHFFFAOYSA-N 266.319 3.650 30 20 CHED C=CCSCCN[C@H](CC)c1cc(C)ccc1OC 358023763 KTIMDAQLCOJICM-OAHLLOKOSA-N 279.449 3.964 30 20 CHED Cc1ccc(CN(CCc2ccccc2)C(=O)CC#N)s1 355482327 FUPCWEUYBKGDPH-UHFFFAOYSA-N 298.411 3.542 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC(F)(F)C3)c2c1 537349864 VYYAQNFPEJLOFB-UHFFFAOYSA-N 287.313 3.569 30 20 CHED C=CC(C)(C)CN[C@H]1CCC[C@@H](c2cccnc2)C1 449484300 GBILMROVUHZLPW-ZBFHGGJFSA-N 258.409 3.910 30 20 CHED COc1ccccc1N(C)Cc1ccc(Cl)cc1C#N 614160823 ISXIDQVKEUNLEF-UHFFFAOYSA-N 286.762 3.857 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H]1c1ccccc1 537189146 GZQVARHMYMHHMD-GOEBONIOSA-N 272.392 3.888 30 20 CHED Cc1cc(Cl)cc(CN(CCC#N)Cc2ccccn2)c1 351401005 SHVOGMLXYTUODU-UHFFFAOYSA-N 299.805 3.959 30 20 CHED C[C@H](CC#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 266911427 HLAFSHKXCQYZTH-RKDXNWHRSA-N 285.174 3.515 30 20 CHED C=CCC1(C(=O)N2CCn3c2nc2ccccc23)CCCC1 449261508 CHKJKOKBGMRXQA-UHFFFAOYSA-N 295.386 3.519 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1 359026305 IGHROFSJRYYPKX-CYBMUJFWSA-N 291.391 3.627 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)c1nnc2ccccn12 449067450 LMOIIWMJIGCZEA-KBPBESRZSA-N 272.396 3.515 30 20 CHED CC(C)c1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)cc1 357437505 QIPTUJAIEWUZPK-UHFFFAOYSA-N 282.387 3.861 30 20 CHED Cc1ccc([N+](=O)[O-])c(Sc2ccc(C#N)cc2)c1 446901271 BIXLAYNGAXPGPF-UHFFFAOYSA-N 270.313 3.926 30 20 CHED C=CC(C)(C)CNCc1ccc(OCC(F)F)cc1 449484164 FSNAIGSMEVWHHJ-UHFFFAOYSA-N 269.335 3.632 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc2nccn12)c1ccccc1 534000244 MZVBPQZYRPJBLV-AWEZNQCLSA-N 291.354 3.633 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCCC12CCOCC2 367086070 JLLCOPRYZIWWPN-GJZGRUSLSA-N 251.414 3.670 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(-c2ccccc2)nn1C(C)C 362690645 HQQAQLUOTUYXQJ-ZDUSSCGKSA-N 298.390 3.827 30 20 CHED CC(C)C1CCC(NC(=O)N2CCC[C@@](C)(C#N)C2)CC1 612143810 MTAACXCXQLJSGH-DQPZFDDXSA-N 291.439 3.536 30 20 CHED C=CCCCN[C@H](c1ccccc1)c1nccs1 265375696 BMWYSGWOJKYXSX-CQSZACIVSA-N 258.390 3.788 30 20 CHED C=C(C)[C@@H](CC(=O)NCc1ccc(C(C)C)cc1)OCC 535895773 NXVQPNAJTZJVKJ-QGZVFWFLSA-N 289.419 3.798 30 20 CHED C=C[C@@H]1OCCC[C@H]1Nc1ncc(Cl)cc1Cl 450804626 MZSIQRMSWQDQHM-MNOVXSKESA-N 273.163 3.534 30 20 CHED CCn1c(SCC2(C#N)CCC2)nnc1-c1ccccc1 450581658 IQBJCFXLZGAUFP-UHFFFAOYSA-N 298.415 3.751 30 20 CHED CCc1cnccc1[C@@H](C)NCc1cccc(C#N)c1F 361118931 DUKOTCXSFSWJJS-GFCCVEGCSA-N 283.350 3.506 30 20 CHED C=C(CC)CNC(=O)Nc1ccc2cnn(C(C)C)c2c1 454633897 SPYITSIZSQMIJH-UHFFFAOYSA-N 286.379 3.705 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C3CC3)n2CC(C)C)C1 611757459 FRSMHNYIVOJDKY-AWEZNQCLSA-N 288.439 3.604 30 20 CHED N#Cc1ccc(N2CCCC[C@@H]2c2ccccc2)nc1 273809721 AQGCYOLIUXAIGI-MRXNPFEDSA-N 263.344 3.685 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 270411543 LNOCRDMUUNMBPM-ZWKOTPCHSA-N 296.414 3.725 30 20 CHED CC[C@H](C)CC(=O)Nc1ccc(CC#N)cc1Cl 452657589 VZMMMWCCHPOKHG-JTQLQIEISA-N 264.756 3.781 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@H]2CCO[C@@H](CC)C2)c1 272737528 MHHBPKQEKDKDDP-WMZOPIPTSA-N 299.414 3.616 30 20 CHED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CC(C)(C)C#N 278588589 SZLCBZBKJZMHGB-AWEZNQCLSA-N 284.403 3.754 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1cccc(F)c1 455308589 JPYPCBMLOJWKFU-HNNXBMFYSA-N 276.355 3.638 30 20 CHED C[C@H](N[C@H](C)c1cccnc1)c1ccc(C#N)c(F)c1 271932422 LVSLOESKNIUNLE-NWDGAFQWSA-N 269.323 3.504 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 454537133 CFAMQXULFRORMZ-ZDUSSCGKSA-N 299.374 3.668 30 20 CHED CCc1ccc(NC(=O)Nc2ccc(C#N)cc2OC)cc1 546709331 RGEZZWZKBVITDX-UHFFFAOYSA-N 295.342 3.773 30 20 CHED C=CCN(CCc1ccco1)C(=O)NCCCC(C)(C)C 543707457 QPQWRXBBTFOWRG-UHFFFAOYSA-N 292.423 3.846 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc2c(cn1)CCCC2 462971784 HTXOGSBIVXFKAH-MRXNPFEDSA-N 258.365 3.501 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@H]2Cc2ccccc2)c1 543434819 NGIKVXBLBCPTKS-IEBWSBKVSA-N 290.366 3.804 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(C(F)(F)F)n1 620855759 IMHQFPBEGLWJRT-UHFFFAOYSA-N 286.297 3.575 30 20 CHED C[C@H](N[C@H]1CCCc2ccc(O)cc21)c1ccc(C#N)cc1 284212028 SSJGNSTWOZIJTO-DJJJIMSYSA-N 292.382 3.992 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](OCC2CC2)C1 372297994 XBRLEYXONFVMRW-KDOFPFPSSA-N 284.403 3.510 30 20 CHED CCCCCCCCCCC(=O)N(C)c1cnccn1 288585732 CSKJKOXWFABQJO-UHFFFAOYSA-N 277.412 3.970 30 20 CHED Cc1ccccc1[C@H](c1noc(C(C)(C)C#N)n1)C(C)C 289194219 SDOCYYNTVSARCV-CQSZACIVSA-N 283.375 3.967 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CCc2ccccc2C1 466382702 HYNYWPAEMRULKR-SJORKVTESA-N 286.419 3.540 30 20 CHED N#Cc1nc(Oc2cnc3ccccc3c2)ccc1Cl 466449247 QBTRVCOZDZMLSI-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CCc1ccc(O)c(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 462208556 MIIJTUVOOUVING-LBPRGKRZSA-N 294.354 3.568 30 20 CHED C=CCC(C)(C)C(=O)NCC1(c2ccccc2C)CC1 555739478 YMGPETNOMVRDBO-UHFFFAOYSA-N 271.404 3.745 30 20 CHED CCCc1ccccc1NC(=O)c1cc(C#N)oc1C 280601333 PGTVWYSSFFEVTR-UHFFFAOYSA-N 268.316 3.665 30 20 CHED C=CCCN[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 639306475 DOGOTHKTTBEDTL-WMZOPIPTSA-N 270.420 3.520 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2C(C)C)s1 280033585 LIHPOXFEISQUSE-AATRIKPKSA-N 260.362 3.730 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H]2CCC[C@@H](C)C2)cc1 552584454 GWVWEFZCNOUKBW-ZBFHGGJFSA-N 287.403 3.694 30 20 CHED C#CC[C@@H](NCc1ccsc1C)c1ccccc1 293392310 XEAMWZRPUNYTCR-MRXNPFEDSA-N 255.386 3.911 30 20 CHED CCCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[C@H](C)C1 294291408 RWJBFJDETYMYJL-DZGCQCFKSA-N 287.407 3.707 30 20 CHED C=CCCCCNC(=O)NCc1ccccc1OC(C)C 472852457 MXBOPNKARCDEEI-UHFFFAOYSA-N 290.407 3.629 30 20 CHED CCSCC(=NNCCC(F)(F)F)c1ccccc1 807986312 HYMKPWDYKJCXJK-UHFFFAOYSA-N 290.354 3.686 30 20 CHED C=CCCCCCCNC(=O)N1CCC(C)=C(C)C1 807569083 BPTIQYLNOMGCAO-UHFFFAOYSA-N 264.413 3.875 30 20 CHED N#C[C@H]1CC[C@H](NCCc2cc3ccccc3s2)C1 556232305 IODUTPGZHCINFP-JSGCOSHPSA-N 270.401 3.726 30 20 CHED CCCCn1ncc(Nc2nc(Cl)c(C#N)s2)c1C 804564468 VJHSQGOQSLUJNL-UHFFFAOYSA-N 295.799 3.717 30 20 CHED C#C[C@H](NC(=O)[C@H](C)c1ccc(Cl)s1)C(C)(C)C 807884135 VDYLMTFGHINWLW-KOLCDFICSA-N 283.824 3.669 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)c1cccc(C#N)c1 295861939 TXCWHRHTXFJOPT-KRWDZBQOSA-N 270.376 3.599 30 20 CHED C#C[C@H](NC(=O)c1ccccc1SC(C)C)C(C)(C)C 807882071 VUGLCQMWZZBECR-HNNXBMFYSA-N 289.444 3.965 30 20 CHED CC(C)(C#N)CCCOC(=O)C1(C(F)F)CCCC1 808647901 KQVRRTDWRUJCQX-UHFFFAOYSA-N 273.323 3.685 30 20 CHED C=C(Cl)CN(Cc1ccc(F)cc1)C1CCOCC1 298611868 UACVYYOLSHMYBY-UHFFFAOYSA-N 283.774 3.559 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 806086737 VAYCXGGAYULKIJ-SSDOTTSWSA-N 290.672 3.502 30 20 CHED Cc1cccc(Cc2noc(-c3ccc(CC#N)cc3)n2)c1 564520833 KBLCSBPIMIBPRA-UHFFFAOYSA-N 289.338 3.702 30 20 CHED C#C[C@H](NC(=O)C1(CC)CCC1)c1ccc(Cl)cc1F 804416275 MWDAPVWYQORCRS-AWEZNQCLSA-N 293.769 3.850 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2ncco2)cc1 294572196 MXSUYKNSZWPUGX-UHFFFAOYSA-N 270.332 3.882 30 20 CHED CCCC[C@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 800382983 LIRQTZSWMSAJCM-QWHCGFSZSA-N 283.375 3.576 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(F)cc2F)no1 560005189 WMLTWXNZSDJWSP-VIFPVBQESA-N 280.274 3.669 30 20 CHED C=CCCCN(C)[C@@H](C(=O)O)c1c(F)cccc1Cl 568066025 NRZGRLNOZPRQNY-CYBMUJFWSA-N 285.746 3.503 30 20 CHED N#CCCCC(=O)N1CCC[C@@H]1c1ccccc1Cl 292329398 MWNTVIVSEMELOS-CQSZACIVSA-N 276.767 3.697 30 20 CHED C=CCOCCCN1CCCC[C@@H]1Cc1ccccc1 470771107 CIHLDMZMTJVMJA-GOSISDBHSA-N 273.420 3.676 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 470539094 UZECBCZISXMCHT-LLVKDONJSA-N 290.363 3.670 30 20 CHED N#C[C@@H](OC(=O)[C@@H]1CCCC(F)(F)C1)C1CCCCC1 800277479 IZZXZVUSVMQLKD-CHWSQXEVSA-N 285.334 3.828 30 20 CHED C=C(C)CCNc1ccc(-n2cccn2)c(Cl)c1 563769490 FVDSGKYHKUQZNI-UHFFFAOYSA-N 261.756 3.904 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](CC)CSC 485462614 FVRIFQXMLMQRKC-GFCCVEGCSA-N 295.473 3.836 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1ccc(Cl)o1 814916690 CNGRLEUNNCJHKM-LLVKDONJSA-N 254.761 3.825 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cccc(CO)c1 814905416 WUFJTWJDIYADOX-UHFFFAOYSA-N 292.741 3.808 30 20 CHED C=CCCCCCNc1ccc(OC(C)C)c(C(N)=O)c1 811766177 NYMMTDBFSBWMLV-UHFFFAOYSA-N 290.407 3.731 30 20 CHED C=CCCCN(C)[C@@H]1CCCN(c2ccccc2)C1 482941146 GEDFSZGEOPVWAI-QGZVFWFLSA-N 258.409 3.553 30 20 CHED CCOc1ccc(NN=Cc2ccc([N+](=O)[O-])s2)cc1 814985976 ZYGZLBLJDNDQTE-UHFFFAOYSA-N 291.332 3.501 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCS[C@@H]1C 814896039 FIZNDBSOSAGRKF-LLVKDONJSA-N 271.389 3.837 30 20 CHED Fc1ccc2ccc(C=NNCc3ccccc3)nc2c1F 814751906 WBXLTRUTJJDOLG-UHFFFAOYSA-N 297.308 3.637 30 20 CHED CCC(=NNC[C@@H]1CCSC1)C1CCCCC1 811658414 YNOJZDUHHVRRSL-LBPRGKRZSA-N 254.443 3.675 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=Nn3ccccc3=O)c2c1 811646990 SVOLBOGYFHZPKJ-UHFFFAOYSA-N 293.370 3.509 30 20 CHED CSC[C@@H]1CCCN(c2c(Cl)cccc2C#N)C1 488948999 SKWWNPNUOPUTQT-LLVKDONJSA-N 280.824 3.791 30 20 CHED CCCOc1ccc(C(C)=NOCCOC(C)C)cc1 812238709 DGUKVFHNJGDOJG-UHFFFAOYSA-N 279.380 3.641 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@H](C)CCC)cc1 574778608 ROWHNGYTLULDGN-CQSZACIVSA-N 275.392 3.694 30 20 CHED CCC(=NN[C@@H]1CCCC1(C)C)c1cccc(N)c1 814918023 YQFLIUJHTSBTPT-OAHLLOKOSA-N 259.397 3.551 30 20 CHED Oc1cccc(/C=N/C[C@@H](c2ccccc2)C2CC2)c1O 814184051 SNLZQJRLTHPGAU-ZVCOJXFSSA-N 281.355 3.711 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(F)c1Cl 488831475 HZYDNXUGKHIHSK-SNVBAGLBSA-N 267.731 3.660 30 20 CHED CC(C)(C#N)CNC(=O)N[C@@H](c1ccccc1)C1CCCC1 484736484 LIQSPKIDPOBTKE-INIZCTEOSA-N 299.418 3.767 30 20 CHED N#Cc1ccc(/C=C\c2cc(F)cc(Cl)c2)nc1 485403017 VVXLLRWGGHTBDM-IWQZZHSRSA-N 258.683 3.916 30 20 CHED C[C@@H]1CC(CCOC(=O)c2cccc(C#N)n2)C[C@@H](C)C1 810627536 HANOJJAAUOJNIN-STQMWFEESA-N 286.375 3.572 30 20 CHED N#Cc1c(F)cccc1/C=C1\Cc2ccc(F)cc2C1=O 811691299 KXASCQLJPQQJKC-WUXMJOGZSA-N 281.261 3.659 30 20 CHED CC[C@@H](Nc1ccc(OC)nc1)c1ccc(C#N)cc1 577465051 CXGTVPNNFUZWDS-OAHLLOKOSA-N 267.332 3.525 30 20 CHED CC(C)C(=NNC[C@@H]1CCSC1)C1CCCCC1 811660232 JHDFUYXJXJMLQT-ZDUSSCGKSA-N 268.470 3.921 30 20 CHED CON=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 811638500 PXEHDEVRHLLLKR-GXTWGEPZSA-N 296.411 3.579 30 20 CHED Clc1nc(N2CCCC2)sc1C=NOCCC1CC1 814246658 UZNGUSYKJBIVDO-UHFFFAOYSA-N 299.827 3.547 30 20 CHED CCC[C@H](C)c1noc(-c2cc(C#N)cc(N(C)C)c2)n1 815671421 FQMCJMSBQKORSI-NSHDSACASA-N 284.363 3.578 30 20 CHED CSc1ccccc1CN1CCC(CCC#N)CC1 577509100 BLMPHBFVFSVWPW-UHFFFAOYSA-N 274.433 3.924 30 20 CHED COc1ccc(C(C)=NNc2cccc(OC)c2)cc1 725853220 HAPYSXYIHSJHSH-UHFFFAOYSA-N 270.332 3.540 30 20 CHED CC(C)[C@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1F 571875711 WLGSARCILLUTMC-WBMJQRKESA-N 291.345 3.695 30 20 CHED C#CCCCOC(=O)[C@@H](SCc1ccccc1)C(C)C 727630646 CQSLXXGLUQJXCY-INIZCTEOSA-N 290.428 3.901 30 20 CHED COc1cccc(NC2CCC(C)(C#N)CC2)c1F 824188095 UPMVQEUPEIETCO-UHFFFAOYSA-N 262.328 3.719 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)C1CCN(C(=O)OC)CC1 824203694 XGAFMGOBCHVKGT-GJZGRUSLSA-N 296.455 3.578 30 20 CHED CC(C)C[C@H](C)OC(=O)Oc1ccc(CC#N)cc1 829736205 FAFASRQZCYIXRG-LBPRGKRZSA-N 261.321 3.703 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1(C)CC(F)(F)C1 823604651 HPIKOEPNPHLYLJ-AWEZNQCLSA-N 293.357 3.725 30 20 CHED CC1(C)Cc2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2O1 571012041 FSBWXRIFPKBSPX-DGCLKSJQSA-N 256.349 3.504 30 20 CHED C=CCN(C)C(=O)[C@H](CC1CCCCC1)C(C)C 490075094 WIJQQOMVSZRZEG-OAHLLOKOSA-N 251.414 3.873 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCc2cccnc21 820884809 WHGJVTJFVBXQKZ-MRXNPFEDSA-N 286.419 3.754 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(OC)c2)C1 664333726 RETJCVISUZLJQG-CYBMUJFWSA-N 274.364 3.515 30 20 CHED C=CCCCCn1cc2cc(C(=O)N3CCCC3)ccc2n1 902563790 YRZKZCJWKFOZDS-UHFFFAOYSA-N 297.402 3.629 30 20 CHED CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1 903010393 LEHSEFYEFPCLOM-RCBQFDQVSA-N 280.375 3.501 30 20 CHED COc1cc(CS[C@H](C)c2cccc(C#N)c2)on1 902369060 MCWGVRCPLHUCHX-SNVBAGLBSA-N 274.345 3.549 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1cccc(CC#N)c1 736032876 INEWTIXCTBTPAM-WWGRRREGSA-N 271.360 3.734 30 20 CHED C#CCCCOC(=O)CCCCCc1cccs1 731547932 QIBQVJGKFFSPDJ-UHFFFAOYSA-N 264.390 3.808 30 20 CHED CC(C)C(CNC(=O)CCCCCC#N)C(C)C 588164839 RZCAYFANHAKCCZ-UHFFFAOYSA-N 252.402 3.505 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C)C1 665200795 HFEJNILLMWAGGB-ZDUSSCGKSA-N 276.355 3.954 30 20 CHED CCCn1c(C(=O)N(C)CC(C)(C)C#N)cc2ccccc21 497197421 FUSXAYFCNFGMLZ-UHFFFAOYSA-N 297.402 3.673 30 20 CHED C[C@H](OC(=O)[C@]1(C)CC=CCC1)c1ccc(C#N)cc1 835205539 YJPOGLHXLNNJDQ-SUMWQHHRSA-N 269.344 3.909 30 20 CHED C=CCCCCCN(C)C(=S)NCc1cccs1 739459512 QEHNNWQCJKRATH-UHFFFAOYSA-N 282.478 3.801 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(COC(C)(C)C)cc1 837459014 BCJAFXMLRDXFLZ-UHFFFAOYSA-N 287.403 3.990 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3cnco3)cc2)C1 839049788 SKQFKRSKEKUPCF-SWLSCSKDSA-N 296.326 3.581 30 20 CHED C#CCN(C(=O)c1ccc2[nH]ccc2c1)C1CCCCC1 730774498 HKRNSKKQMDIYSH-UHFFFAOYSA-N 280.371 3.576 30 20 CHED C[C@@H](CC#N)OC(=O)C(C)(C)c1cccc2ccccc12 835163596 ZZARGADZFROVCI-ZDUSSCGKSA-N 281.355 3.963 30 20 CHED C=C(Br)CN1CC[C@H](Cc2ccc(F)cc2)C1 736945195 FGCMBFPDNHCCAN-CYBMUJFWSA-N 298.199 3.599 30 20 CHED C#CCOc1cccc([C@@H](C)OC(=O)/C=C\c2ccco2)c1 730700177 PRLNBSVLBOGHJO-CFYYFVFUSA-N 296.322 3.609 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C 836887974 HXFAKJXBVNGNGO-DOTOQJQBSA-N 263.425 3.709 30 20 CHED C=CCC1(C(=O)OCC2(C3CC3)CCOCC2)CCCC1 835304620 WLVCFHQQDGHDRT-UHFFFAOYSA-N 292.419 3.873 30 20 CHED C=CCC[C@H](C(=O)O[C@@H]1CCOC[C@@H]1C)c1ccccc1 835771464 KBXOVSLPVKICRQ-BHYGNILZSA-N 288.387 3.705 30 20 CHED C=CC(C)(C)c1nc(C[C@@]2(C)CC2(Cl)Cl)no1 834860603 STPRSMXBGOVEGE-NSHDSACASA-N 275.179 3.660 30 20 CHED CCCc1ccc(C(C)=NNc2nccnc2Cl)cc1 733079822 UUULXVBFYDRXME-UHFFFAOYSA-N 288.782 3.919 30 20 CHED CCC[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)C(C)C 839051561 DURAASSHMFNHKY-RDBSUJKOSA-N 251.370 3.684 30 20 CHED CCCCCCCCCC(=O)Nc1ccc(=O)n(CC)c1 918369973 KUTKLBKWVZMRBI-UHFFFAOYSA-N 292.423 3.947 30 20 CHED N#CC1(c2nc(-c3cncc(Cl)c3)no2)CCCCC1 596605180 PQYLAMKTJWYWJF-UHFFFAOYSA-N 288.738 3.510 30 20 CHED CCCCCCCCCOC(=O)c1cnn2cccnc12 918946358 OONNDWIXNVTNIV-UHFFFAOYSA-N 289.379 3.637 30 20 CHED C#Cc1cccc(CN[C@H](C)c2cnn(C(C)C)c2C)c1 834902954 MBWGEVRXANLCLI-CQSZACIVSA-N 281.403 3.605 30 20 CHED CC[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 596097961 PKNAGKSJVAKWAA-JKSUJKDBSA-N 299.418 3.515 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2ccc(C)cc21 675153503 XRQZGJZMZMFZQR-UHFFFAOYSA-N 255.361 3.653 30 20 CHED CCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1F 918493809 GVWAGNSRWHXKBV-UHFFFAOYSA-N 283.299 3.861 30 20 CHED Cc1cc(C)cc(NN=Cc2cccc(OCC#N)c2)c1 915951936 UASZBMRYJCBPLU-UHFFFAOYSA-N 279.343 3.652 30 20 CHED CCN(C(=O)CCCc1ccc2ccccc2c1)[C@H](C)C#N 598357032 CTKPIUAADZIANV-OAHLLOKOSA-N 294.398 3.923 30 20 CHED Cc1cccc([C@H](C)C(=O)OCc2ccc(C#N)cc2F)c1 740348971 NUIPZSOXBRXUKK-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)Oc1ccccc1Cl 744304770 CMMSVYNQYOLKNK-LLVKDONJSA-N 268.740 3.617 30 20 CHED C=C(Cl)CN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C 749444919 KFLUHIVCVSNTNI-UHFFFAOYSA-N 298.789 3.617 30 20 CHED CCCCCCCCCC(=O)N(C)C[C@H]1CCOC1 749433189 PMLMWCNQDINVMK-OAHLLOKOSA-N 269.429 3.622 30 20 CHED CC/C(C)=C\C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 847046539 ZJLBAVRQFFDDPQ-KVNDZABWSA-N 270.376 3.628 30 20 CHED C=C(C)CONC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 845607571 DTTZFWLUXJPGNE-DLBZAZTESA-N 296.370 3.503 30 20 CHED C=CCN(C(=S)Nc1ccc(C)cc1C)C(C)C 917589015 DYWFLNXAIVIFMC-UHFFFAOYSA-N 262.422 3.897 30 20 CHED CC(CCc1ccco1)=NNc1nc2ccccc2[nH]1 917024998 OMJAUKYSSBXLAZ-UHFFFAOYSA-N 268.320 3.577 30 20 CHED O=C1/C(=C2\COc3ccc(F)cc32)Cc2ccc(F)cc21 749005129 IQRAERSQPRHZOA-CCEZHUSRSA-N 284.261 3.550 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1cc(C#N)cs1 748440069 FRZDRHBLHLXCIQ-HWKANZROSA-N 271.316 3.963 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1c2ccccc2O[C@@H]1C 673560994 CUQRZPILBMFYFW-ZENOOKHLSA-N 288.391 3.553 30 20 CHED C/C(=C\C(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)(C)C 742524945 ULBHNHOAUDZQIU-RSKUSDAESA-N 270.376 3.728 30 20 CHED CCN(Cc1nc2cc(C(F)(F)F)ccc2o1)[C@H](C)C#N 595817853 PPQDLLQWJDQDHH-SECBINFHSA-N 297.280 3.581 30 20 CHED COc1ccc(CCC(C)=NOCc2cccc(C)n2)cc1 842023304 BQJQMZBRQWMSRF-UHFFFAOYSA-N 298.386 3.924 30 20 CHED CCCCCCCCC(=O)OCc1cc(C)on1 919222272 SZVZDYAGNFFRKK-UHFFFAOYSA-N 253.342 3.777 30 20 CHED C[C@H]1CCCCC1=NNCc1ccc(F)c(F)c1 915976124 ZROSETDJNHMQSR-JTQLQIEISA-N 252.308 3.621 30 20 CHED C=CCN(CCC#N)Cc1ncc(-c2ccccc2C)o1 590003420 BHIZQNLGDRBBFB-UHFFFAOYSA-N 281.359 3.552 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)[C@H]1C 593963240 ZRGLFHMGEZURBX-JTOWHCCKSA-N 298.430 3.678 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)C(C)C 748970802 ZTZKUAVVJUTFDW-UONOGXRCSA-N 266.429 3.807 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)[C@H]1CCSc2ccccc21 842333859 NJSLQKQNCIGMBS-GXTWGEPZSA-N 289.400 3.747 30 20 CHED C#CCCCOC(=O)c1ccc(Oc2ccccc2)o1 749024252 BKKBDLLVPJDKAV-UHFFFAOYSA-N 270.284 3.642 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@H]1CC[C@H](C)CC1 845525971 QJNCFAFMXIUFQJ-IIAWOOMASA-N 268.397 3.585 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1Nc1snc(Cl)c1C#N 840338592 DBAAZDLUIVSWPW-GZMMTYOYSA-N 255.774 3.515 30 20 CHED Cc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)c(Cl)c1 844550815 ZLYBRENZBHEYPN-BQYQJAHWSA-N 288.778 3.895 30 20 CHED Cc1sc(NC(=O)NCC(C)(C)CC#N)nc1C(C)C 596969680 FCZYPOHZTCSWBY-UHFFFAOYSA-N 294.424 3.636 30 20 CHED CCCCCCCCN1CCC(c2cn[nH]c2)CC1 740876597 VHHYJYDLSDSRLY-UHFFFAOYSA-N 263.429 3.950 30 20 CHED Cc1ncsc1C=NNc1cccc(Cl)c1 743420474 GSQJGPLHTFEOPJ-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CC(C)C[C@H](NCc1ccc(C#N)cn1)c1ccc(F)cc1 846163236 GUMJFTPXXORMRG-SFHVURJKSA-N 297.377 3.969 30 20 CHED COc1ccc(NN=C2CCc3ccc(C)cc32)cc1 750921366 IEHKKOHMXGKXNJ-UHFFFAOYSA-N 266.344 3.766 30 20 CHED CC1(C)CCC[C@@H](C=NNC(=S)Nc2ccccn2)C1 752732720 CVTXCMFMVFSOPT-GFCCVEGCSA-N 290.436 3.570 30 20 CHED CCOc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1OC 926006028 JCNIKWUQHMTTQD-LBPRGKRZSA-N 276.380 3.834 30 20 CHED CC(C)C#CC(=O)Nc1cc(Cl)cc(Cl)c1 854135767 SYFAGZLPHRWRFI-UHFFFAOYSA-N 256.132 3.591 30 20 CHED CCCCSc1ccc(Cl)cc1C(=O)OCC#N 755144703 DDLDRZGHJAKWPC-UHFFFAOYSA-N 283.780 3.913 30 20 CHED CCCn1nccc1/C=C1/CCc2sccc2C1=O 853006639 WNAWFVWCKQYZNH-KHPPLWFESA-N 272.373 3.567 30 20 CHED CCCCCC[C@H](C)NN=C(C)C1CCOCC1 755892265 RJZOIDSIGHYRAL-ZDUSSCGKSA-N 254.418 3.737 30 20 CHED Oc1ccc(C=NNc2ccc(OC(F)F)cc2)cc1F 755682772 JWBSXQCPPFXPOY-UHFFFAOYSA-N 296.248 3.579 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(C(C)(C)C#N)cc1 851204325 OPWNDYRYZHAVBN-CYBMUJFWSA-N 298.386 3.973 30 20 CHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccc(F)cc1O 757474709 DFXSXWPUACGACM-KTAJNNJTSA-N 292.693 3.786 30 20 CHED C=CCCONC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 856029823 FIFMIWCXHCAIAR-UHFFFAOYSA-N 286.375 3.703 30 20 CHED C#CCNc1cc(C)ccc1SCC(F)(F)F 754309009 OJSOBPLCAVHIGZ-UHFFFAOYSA-N 259.296 3.695 30 20 CHED COc1ccc(NN=C(C)CCc2ccco2)cc1 750945755 IUJBZFVQHOTIGP-UHFFFAOYSA-N 258.321 3.709 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc3c(c2)CCO3)co1 752884265 FBQNIOLQKIXGEN-HYXAFXHYSA-N 283.327 3.629 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 934666548 RSBPDHQUMJBTOV-GUTXKFCHSA-N 293.432 3.639 30 20 CHED C=CCOC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 766618015 HYQUWNGDZYJWSC-GJZGRUSLSA-N 268.397 3.871 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1csc(C(C)C)n1 768773271 MXIHUQYUGVEQCD-UHFFFAOYSA-N 289.408 3.509 30 20 CHED CC(=NNCC(F)(F)C(F)(F)F)C1CCCCC1 863180648 FLTMIGTYUVJGLS-UHFFFAOYSA-N 272.261 3.730 30 20 CHED C#C[C@H](OC(=O)c1ccnc(C2CC2)c1)c1ccc(C)cc1 860963559 YEMCEJACRFGJLV-SFHVURJKSA-N 291.350 3.799 30 20 CHED CCC1(C(=O)O[C@@H](C)c2cccc(C#N)c2)CCC1 764612195 HFSDEBVEWCLLFD-LBPRGKRZSA-N 257.333 3.743 30 20 CHED C[C@@H]1CCCCC1=NNc1ncnc2ccsc12 764835435 LZESIZUPVSLKNH-SECBINFHSA-N 260.366 3.669 30 20 CHED C=CC[C@H]1N(C(=O)C2=C(C)OCCC2)CCCC1(C)C 768097460 JODOQECKHRNEPP-OAHLLOKOSA-N 277.408 3.664 30 20 CHED CCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1OCC 765920296 MYRZCHGFCYCYEF-KBPBESRZSA-N 288.391 3.978 30 20 CHED C[S@@](=O)c1ccc(C=NNc2ccccc2Cl)cc1 1116209078 HQODPXKAYOURCB-LJQANCHMSA-N 292.791 3.523 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2cnn(CC)c2c1 878499363 VSZPARPDKRWAOM-UHFFFAOYSA-N 271.364 3.597 30 20 CHED Cc1ccc(C)c(C=NNc2cc(Cl)ccn2)c1 777906458 XFIXYSZNEHBTNN-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(OC(F)F)cc1 777455861 MOQWMMLXVDPJTD-UHFFFAOYSA-N 297.223 3.981 30 20 CHED C=CCCOCC(=O)O[C@@H](CC)c1cc(C)ccc1OC 772497526 VHYGCWTWQQIEEZ-HNNXBMFYSA-N 292.375 3.591 30 20 CHED COC[C@@H](C)NN=Cc1cccc(-c2ccc(C)cc2)c1 777903673 VNAHTOOSEJNKBJ-OAHLLOKOSA-N 282.387 3.620 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(-c2cccs2)s1 1116776623 QUPQCTSYHRAQFS-SNVBAGLBSA-N 275.398 3.618 30 20 CHED CCc1nc2ccccc2c(C(=O)OCC2(C#N)CC2)c1C 775827756 IORWCHKSONBXLJ-UHFFFAOYSA-N 294.354 3.566 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1ccc(Cl)nc1 773127025 XVWZMVXXVFSPRR-LBPRGKRZSA-N 265.788 3.627 30 20 CHED N#CCc1ccc(C(=O)Oc2cccc(Cl)c2F)cc1 776393330 MCMORINREWWFOD-UHFFFAOYSA-N 289.693 3.764 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC=C(Cl)C2)c1 878439428 PASBUZJCJSBJSG-UHFFFAOYSA-N 292.766 3.612 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CC[C@H](O)[C@H](C)C1 779269154 MGSOZKTVXUDYQK-SFDDJJRUSA-N 295.467 3.913 30 20 CHED CCOc1ccc(C=O)c(OCc2ccc(C#N)cc2C)c1 776740843 AOJKTEUTJHRKAK-UHFFFAOYSA-N 295.338 3.657 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2ccn(C)c2c1 870471774 YPPKTEKLFAZSJA-GFCCVEGCSA-N 284.359 3.663 30 20 CHED N#CC1(COC(=O)c2ccc(-c3ccccc3)cc2)CC1 775828720 SCXOVNXVRFFEMU-UHFFFAOYSA-N 277.323 3.814 30 20 CHED CCC(CC)NN=Cc1cccc(Br)c1OC 774386568 CTJYLTNLOCAQJZ-UHFFFAOYSA-N 299.212 3.570 30 20 CHED CCCCCCCCCN(C)C(=O)c1c(O)cccc1O 770402188 UJKOTGXJGQSJIB-UHFFFAOYSA-N 293.407 3.920 30 20 CHED C[C@@H](COc1ccccc1)Nc1c(F)cc(C#N)cc1F 774523057 FMIHHCXGIJZQFO-NSHDSACASA-N 288.297 3.716 30 20 CHED C=C(CNC(=O)C[C@H](C)c1ccco1)c1ccccc1 1129587725 MEOZFQDCBNGCKL-ZDUSSCGKSA-N 269.344 3.603 30 20 CHED C#CCC1(C(=O)Nc2cc(C#N)ccc2C)CCCCC1 788189493 UWDCZYGNWLQVAX-UHFFFAOYSA-N 280.371 3.779 30 20 CHED CCOc1ccc(C=NNc2cccc(C#N)c2)cc1F 782187448 ZGOUNLQLUSEMLP-UHFFFAOYSA-N 283.306 3.542 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 782723215 YQIUBUCCAWAQPW-ARFHVFGLSA-N 261.409 3.607 30 20 CHED CC[C@@H]1C[C@@H](CC(=O)O[C@@H](C#N)C2CCCCC2)CCO1 781776546 HFCSGWYOUUVBAP-IMJJTQAJSA-N 293.407 3.597 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCOC2(CCC2)C1 885668765 ZGTBLRBXOMKWTM-CQSZACIVSA-N 293.407 3.599 30 20 CHED C=CCCCCCOC(=O)[C@H](F)c1ccccc1 784754860 MATWSIMWAIHOOA-CQSZACIVSA-N 250.313 3.987 30 20 CHED C#CCCOC(=O)CCC[C@H](C)c1cccc(OC)c1 789047737 LXPLGIDICYZAQO-AWEZNQCLSA-N 274.360 3.536 30 20 CHED C=C1CCC(C(=O)Nc2cccc(N(C)C)c2C)CC1 889872997 QDVRFHSDJVNCCL-UHFFFAOYSA-N 272.392 3.746 30 20 CHED CC(C)(O)c1ccc(OCc2ccc(CC#N)cc2)cc1 784053592 KYEJWWGUJAKMFM-UHFFFAOYSA-N 281.355 3.559 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCc2ccc(Cl)nc21 788812608 COEXAVDUMBEYSM-NWDGAFQWSA-N 250.773 3.667 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C)c(OC(C)C)c1 786031142 NZFWZDUUSZMWSU-UHFFFAOYSA-N 288.391 3.707 30 20 CHED Cc1cccc(F)c1NC(=O)[C@H](C#N)CCc1ccccc1 1137877638 VAYQOBYDADMIGR-HNNXBMFYSA-N 296.345 3.845 30 20 CHED Cc1cccnc1NN=Cc1cnc(-c2ccco2)s1 782285038 NDCGTKRYFKBZMI-UHFFFAOYSA-N 284.344 3.553 30 20 CHED Cc1ccccc1C(=NN[C@@H]1CCOC(C)(C)C1)C1CC1 780241411 QBRJMKODMQGMTL-OAHLLOKOSA-N 286.419 3.656 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NNCCC(C)(C)C 782907623 KYRBFTGREVOMFR-UHFFFAOYSA-N 284.835 3.557 30 20 CHED Fc1c(Cl)cccc1C=NNC1CCCCC1 786042488 YDLWHFBSQGSYDZ-UHFFFAOYSA-N 254.736 3.735 30 20 CHED C=C(C)COC(=O)C[C@H](C)c1c[nH]c2ccccc12 786327879 YZMCLXOKGPTRPE-LBPRGKRZSA-N 257.333 3.781 30 20 CHED CCOc1ccc(CN(C)Cc2cccc(C#N)c2)c(C)c1 1138437640 WUTNBPQMBBTKAM-UHFFFAOYSA-N 294.398 3.897 30 20 CHED C=CCCc1ccccc1NC(=O)c1ccn(CC(C)C)n1 890428205 AHGDQABESZYPPQ-UHFFFAOYSA-N 297.402 3.910 30 20 CHED COc1ccccc1CON=C(C)[C@H](OC)c1ccccc1 799118743 SGPLVZHLBDYQCK-SFHVURJKSA-N 299.370 3.975 30 20 CHED CC(C)(C)c1cnc(/C=C\C(=O)c2ccncc2)s1 790599088 SDAJKGPJZSWKBB-PLNGDYQASA-N 272.373 3.732 30 20 CHED CC(=NNCCC(F)(F)F)[C@@H](C)c1ccccc1 794545481 LEQXYVUODQUBOL-SNVBAGLBSA-N 258.287 3.708 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1cc(Cl)ccn1 797786163 IRLRBQBPYNTJFK-UHFFFAOYSA-N 289.791 3.965 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNc1ncccc1[N+](=O)[O-] 797401099 ALYFRHHZUHUUAN-QWRGUYRKSA-N 276.340 3.604 30 20 CHED CCOc1ccccc1C(C)=NNc1ncccc1C 790192914 JVEKNUKPDGAPEK-UHFFFAOYSA-N 269.348 3.625 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C)c1ccc(CC)cc1)C(C)C 799048350 GZFLNWQZQOIGPX-PBHICJAKSA-N 271.404 3.517 30 20 CHED C[C@H](OC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccc(C#N)cc1 796065630 OEGPKXYQRLDQFJ-APPDUMDISA-N 295.313 3.641 30 20 CHED COC1CCC(=NN[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 794540842 FHQNRPHAOALPQX-BGLDNEHKSA-N 278.440 3.736 30 20 CHED CC(C)c1ccccc1CN(C[C@H](C)C#N)C1CC1 1307644351 QVZZRZCSYIFGET-CQSZACIVSA-N 256.393 3.934 30 20 CHED CC(C)CN(CC(C)C)C(=O)Nc1sccc1C#N 1219354414 HGDQLQROHWIIHO-UHFFFAOYSA-N 279.409 3.766 30 20 CHED C[C@@H](N(C)C(=O)[C@@H](C#N)CCc1ccccc1)C(C)(C)C 1142771527 JFQMWAYAKXTOFI-GDBMZVCRSA-N 286.419 3.652 30 20 CHED CC(C)[C@@H]1CCCCCN1Cc1ccc(OCC#N)cc1 1307621657 PGWKQAQYEHMXTO-SFHVURJKSA-N 286.419 3.990 30 20 CHED CCN(C[C@@H](C)C#N)c1nc2c(C)cc(C)cc2s1 1306986926 TWXHBPGAPFOVQK-NSHDSACASA-N 273.405 3.899 30 20 CHED N#Cc1cnc(Sc2ncc(-c3ccccc3)[nH]2)c(F)c1 1162090935 VBSAHKWSOSEDKX-UHFFFAOYSA-N 296.330 3.634 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 390780513 RREHZBZALPEEPD-LNLFQRSKSA-N 286.463 3.841 30 20 CHED C[C@@H]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N 42804414 NDWPVLVENGBZSV-NEPJUHHUSA-N 273.336 3.705 30 20 CHED CC[C@H](Cc1ccccc1)N(C)c1cccc(CC#N)n1 1255095147 DJKFGVVUNIYWSS-QGZVFWFLSA-N 279.387 3.605 30 20 CHED CC(C)CCc1ccc(Nc2cc(C#N)ncn2)cc1 1185108064 UIPVVIMTLMBZHY-UHFFFAOYSA-N 266.348 3.680 30 20 CHED C[C@@H](Cc1ccsc1)Nc1cccc(OCC#N)c1 689976382 OJBIYJWEHIUODG-LBPRGKRZSA-N 272.373 3.694 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1 1336217581 MVMFULYWMAMQLN-HNNXBMFYSA-N 296.370 3.912 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCCC1CCOCC1 1337489024 QOGGJHKLSMYOOG-INIZCTEOSA-N 279.424 3.541 30 20 CHED C=CCCCOC(=O)CCCOc1ccccc1C 735528393 PYSSJHYXOOUMLG-UHFFFAOYSA-N 262.349 3.663 30 20 CHED CC(C)(CCC#N)CNc1cccc(N=S(C)(C)=O)c1 1332738725 KGINDUZLMRDZBL-UHFFFAOYSA-N 293.436 3.788 30 20 CHED CCCCCCCC(=O)N1CCCC(C)(C)[C@@H]1C#N 765119133 IGNYZZSHXWGFDD-AWEZNQCLSA-N 264.413 3.888 30 20 CHED C=C1CCN(C(=O)Nc2ccc3c(cnn3C(C)C)c2)CC1 1334092648 GGMBYHJMDVMKNQ-UHFFFAOYSA-N 298.390 3.801 30 20 CHED CCN(CC)c1ccc(NC(=O)c2csc(C#N)c2)cc1 1330517384 MPGLVHYIWQRLAG-UHFFFAOYSA-N 299.399 3.718 30 20 CHED C=C[C@H](COC)N[C@H]1CCC(C)(C)c2ccccc21 1339696549 JCGCCOGURYZOJY-CJNGLKHVSA-N 259.393 3.590 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1occc1NC(=O)OC(C)(C)C 1342618938 ICAGLQVWZGMOAJ-SNVBAGLBSA-N 295.335 3.748 30 20 CHED CSc1ccccc1NC(=O)C1(C#N)CCCCC1 98111414 FZYCCLVWIZGMDI-UHFFFAOYSA-N 274.389 3.821 30 20 CHED C=C[C@H](C(=O)N1CCC[C@H]1c1cc(C)on1)c1ccccc1 1346152464 HKKDPNAEEJVPAM-RDJZCZTQSA-N 296.370 3.616 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)c1ccoc1)c1cccs1 1346403787 UHIKLCBBWUGKEA-GXFFZTMASA-N 275.329 3.789 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 1276114819 KQWMWVWYKDJFNE-VHDGCEQUSA-N 284.403 3.811 30 20 CHED CCCC[C@@H](CC)CC(=O)N1CCCc2nc(C#N)ccc21 1277879292 ZHHGSVKGFZWVMD-CQSZACIVSA-N 299.418 3.839 30 20 CHED Cc1ccc(COC(=O)[C@H](CC#N)c2ccccc2)cc1F 1458620660 KEQGHEKHUZSVOE-MRXNPFEDSA-N 297.329 3.875 30 20 CHED N#Cc1ccc(OCCn2cnc(-c3ccccc3)c2)cc1 1459262881 PJCTUBYUJMXCNH-UHFFFAOYSA-N 289.338 3.501 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)Nc2ccc(C#N)cc2)C1 1464913133 QKROUSNOPDXYGU-KCQAQPDRSA-N 285.391 3.895 30 20 CHED N#Cc1cccc(Sc2nc(Cl)c(C(=O)O)s2)c1 1601124954 ZXZQGVATPWEYHB-UHFFFAOYSA-N 296.760 3.518 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Nc2ccc(C#N)cc2)c1 1475824553 VVBLWQSZWHEEFI-UHFFFAOYSA-N 279.343 3.843 30 20 CHED CCc1nc(C#N)cc(NCC(C)(C)c2cccc(C)c2)n1 1611889912 YEEGEEOCBSNHHV-UHFFFAOYSA-N 294.402 3.609 30 20 CHED N#Cc1nccnc1NC[C@H]1CCCC[C@H]1c1ccccc1 1612384580 ILYSBHXXTDDYBI-CVEARBPZSA-N 292.386 3.734 30 20 CHED CCc1nc(C#N)cc(NCC2(C)CCC(C)CC2)n1 1612342899 KCDAUUHUNGMJBM-UHFFFAOYSA-N 272.396 3.539 30 20 CHED N#Cc1cnc(N2CC=C(c3ccc(F)cc3)CC2)c(F)c1 1642001900 JRRLLYCFUHQDPR-UHFFFAOYSA-N 297.308 3.525 30 20 CHED Cc1cc(C#N)nc(NC[C@@H]2CCCC[C@H]2C(C)(C)C)n1 1642182956 IUOCDQYPBFGKHC-DZGCQCFKSA-N 286.423 3.921 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2c[nH]c3cccc(F)c23)c1 1642718998 LPTUXEKKUNNLRT-UHFFFAOYSA-N 297.264 3.570 30 20 CHED N#Cc1ncccc1SCc1nsc2ccccc12 1656553125 GOVPBBHSQWLGCT-UHFFFAOYSA-N 283.381 3.855 30 20 CHED C=C(C)CCC(=O)Nc1c(C(=O)O)ccc2ccccc12 1588554890 SQXAQCPYZOZIIE-UHFFFAOYSA-N 283.327 3.833 30 20 CHED COc1cc(OCc2ccc(F)c(Cl)c2)ccc1C#N 1652807974 RZYUAAODAPBPPY-UHFFFAOYSA-N 291.709 3.938 30 20 CHED Cc1ccc2oc(CNCc3cc(C#N)cs3)cc2c1 1656639425 PLBAYENIGWRTOW-UHFFFAOYSA-N 282.368 3.964 30 20 CHED N#Cc1ccc2c(c1)N(Cc1nsc3ccccc13)CC2 1653167441 XSAUQNVUZZAPLI-UHFFFAOYSA-N 291.379 3.731 30 20 CHED CC(C)(C)[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)O 1589723412 XHNGRVPFEYYGEU-NSHDSACASA-N 283.780 3.803 30 20 CHED Cc1ccc(CN(C)c2ccc(Cl)c(C#N)n2)cc1C 1651942913 WANKOWKBWHPVLM-UHFFFAOYSA-N 285.778 3.860 30 20 CHED CC[C@]1(C)CCCC1=NNc1ccc(C(=O)O)cc1 1776012452 SLTKRAFYOPYZML-OAHLLOKOSA-N 260.337 3.753 30 20 CHED C[C@H]1C[C@H](C(=O)O)CCC1=NO[C@H](C)c1ccccc1 1776083255 UNPLZUKJMJVSIX-OUCADQQQSA-N 275.348 3.641 30 20 CHED O=C(O)c1cc(/C=C/C(=O)c2cc(F)ccc2F)cs1 1776113542 NICRHDGZCNWWOX-DAFODLJHSA-N 294.278 3.621 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC2CCC3(CC2)CC3)C1 1776153943 YRWURCHHEXQHDK-GOSISDBHSA-N 291.435 3.700 30 20 CHED O=C(O)c1ccc(NN=C2CCCCC23CCCC3)cn1 1776071352 SREZAHSWUSNJOQ-UHFFFAOYSA-N 287.363 3.682 30 20 CHED Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 15076654 FNKOTUQUKGJTOF-CQSZACIVSA-N 294.354 3.581 30 20 CHED C=CCN(C)C(=O)c1cc(-c2ccccn2)ccc1Cl 161483776 SLDVHDLKJAMVDG-UHFFFAOYSA-N 286.762 3.660 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 161995361 MCIZXAMTRIIPSB-CXAGYDPISA-N 295.398 3.724 30 20 CHED CN(Cc1ccc(C#N)s1)Cc1ccccc1Cl 160821785 PQUYHCZQPQZCHW-UHFFFAOYSA-N 276.792 3.905 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)c(F)c1 6230082 CUEIDJSPGKEABB-RMKNXTFCSA-N 281.286 3.602 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(OC)cc1 153291501 PJHORSHUXPYMIJ-UHFFFAOYSA-N 276.380 3.905 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CCCSC(C)(C)C)C1 155131484 SMFWLPWTZLEUDX-CJNGLKHVSA-N 296.480 3.887 30 20 CHED C=C(C)CNC(=O)Nc1cccc(OCCCC)c1 156840750 RIUTUMRPLHTLNK-UHFFFAOYSA-N 262.353 3.563 30 20 CHED Cc1cc(OCc2cc(F)cc(F)c2)ccc1C#N 1656508938 UKVFMSCHZFRGDG-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)Cc1cccc(C#N)c1F 218075165 IVWQHIDWNLIEND-WFASDCNBSA-N 260.356 3.708 30 20 CHED Cc1ccc(NCc2cccc(C#N)c2F)c(C)c1 223725643 LVVHHCSEWSJLKT-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC(F)F)c(F)c1 119643723 QLPMEKKPEGHDEY-UHFFFAOYSA-N 285.265 3.559 30 20 CHED CSCCCCCCNc1ccc(C#N)cc1[N+](=O)[O-] 230097540 UDUNWXUCLJHEBA-UHFFFAOYSA-N 293.392 3.802 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NCc2cccc(OCC#N)c2)C1 252148614 OHKHLFFJFXARHZ-FOLVSLTJSA-N 272.392 3.503 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](c1ccccc1)[C@H](C)CC 252372920 MPNQYYNJYWAATA-FVQBIDKESA-N 272.392 3.625 30 20 CHED C=CCN(CC=C)C(=O)c1cnc(Cl)c2ccccc12 236050288 UTOSUDDHIILYHK-UHFFFAOYSA-N 286.762 3.702 30 20 CHED CC[C@@H](C)[C@@H](C(=O)N(CC)CCC#N)c1ccccc1 42454215 ZFLQTWWNOKESIZ-GDBMZVCRSA-N 272.392 3.578 30 20 CHED C=CCNC(=O)c1ccc(NCc2sccc2C)cc1 37783555 VFGHQUIWCXIZDB-UHFFFAOYSA-N 286.400 3.584 30 20 CHED CC(C)(C#N)CNCc1csc(-c2ccc(F)cc2)n1 168924983 IOFMBKNANUVOLX-UHFFFAOYSA-N 289.379 3.589 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc2ccccc2s1 44765177 NMKYQJHKMZDNLH-UHFFFAOYSA-N 273.361 3.565 30 20 CHED N#Cc1cc(Cl)ccc1NCc1cccc([N+](=O)[O-])c1 52942788 POSOMONKNGKGBC-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CN(C)c1ccc(CNc2ccc(Cl)cc2C#N)cc1 301174287 VRSCWKCALZDIDH-UHFFFAOYSA-N 285.778 3.890 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NC1(C#N)CCCCC1 308095237 ZMQMWPCMCRULFY-AWEZNQCLSA-N 264.413 3.791 30 20 CHED CC(C)(C)C1CC(C(=O)N[C@H](C#N)C2CCCCC2)C1 332505828 XRDQURZRKUEYQB-YMAMQOFZSA-N 276.424 3.647 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCCC1CC1 643186173 MEIIGFNLTSNLPF-UHFFFAOYSA-N 257.377 3.782 30 20 CHED C=CCC1(NCc2ccc(F)c(C#N)c2)CCCC1 595780417 RIRDRXRXCDCLEM-UHFFFAOYSA-N 258.340 3.676 30 20 CHED CCOC1(CNc2ccc(C#N)c(Cl)c2)CCCC1 389325254 UCCHKAUCTJFENU-UHFFFAOYSA-N 278.783 3.973 30 20 CHED Cc1cc(C)c(C=NNCc2ccccc2)c(C)c1 916343738 DSJBZNZZVMVBCY-UHFFFAOYSA-N 252.361 3.736 30 20 CHED Cc1ccc(NN=Cc2ccc(O)c(Cl)c2)cc1 921254568 YLNCUFTTXJXSEO-UHFFFAOYSA-N 260.724 3.800 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1 4394061 GIFJNCMLXXAHJM-WEVVVXLNSA-N 274.266 3.870 30 20 CHED C=CCOc1ccc(CNC(C)(C)CC)cc1OC 13718002 LLTVMSMBZGSRFM-UHFFFAOYSA-N 263.381 3.538 30 20 CHED C[C@H](C#N)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 19623697 FZNJRJPLUBPPNB-PBHICJAKSA-N 289.382 3.801 30 20 CHED CCN(Cc1ccccc1)Cc1cc(C#N)ccc1F 20362225 OMKRQMWWAQHQOD-UHFFFAOYSA-N 268.335 3.719 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccsc1 23986667 CZXOKOSWZAQJEJ-AWEZNQCLSA-N 270.357 3.501 30 20 CHED Cc1ccccc1C1CC(NCc2ccc(C#N)cc2)C1 37748409 VSTRSWWDYMHSAW-UHFFFAOYSA-N 276.383 3.903 30 20 CHED C[C@@H](CCNCc1cccc(C#N)c1)c1ccccc1 43534041 ZROQSNDSBCNJGX-HNNXBMFYSA-N 264.372 3.842 30 20 CHED Cc1ccc([C@@H](C)NC(=O)C2(C#N)CCCCC2)s1 44386059 UYVADTCKQQRRGV-GFCCVEGCSA-N 276.405 3.708 30 20 CHED N#CCCCOc1cccc(NC(=O)c2cccs2)c1 55568506 KVSPEDTVOAORSR-UHFFFAOYSA-N 286.356 3.683 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 57069681 WJDJUAVAUXJWNB-CYBMUJFWSA-N 294.354 3.988 30 20 CHED CC(C)N(Cc1ccccc1)C(=O)c1cccc(CC#N)c1 58242635 UVXGTZHPFPOWGG-UHFFFAOYSA-N 292.382 3.803 30 20 CHED C=CCN(C(=O)Cc1ccc(C)cc1)c1ccccc1 58505111 VNUHVRRDNMLUBM-UHFFFAOYSA-N 265.356 3.757 30 20 CHED C=C(Br)CSc1nc2ccccc2o1 59927063 VMHLOCUWXADKNM-UHFFFAOYSA-N 270.151 3.829 30 20 CHED C=CCN(CCc1ccccc1)Cc1nc(C)c(C)o1 65959256 RVKMSAXVGVBFGF-UHFFFAOYSA-N 270.376 3.522 30 20 CHED Cc1ccc(F)c2c1N(C(=O)c1cccc(C#N)c1)CCC2 66787063 KUPMVEASBVXQTP-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C[C@H]1CCC[C@H]1Nc1c(C#N)cnc2ccccc12 71208335 RQCGJBVQNDIHMZ-SMDDNHRTSA-N 251.333 3.707 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](C)CC1CCCCC1 72565005 PEYJEWVRDXKRCJ-KGLIPLIRSA-N 264.413 3.601 30 20 CHED C[C@H](CC(=O)N(CC#N)C1CCCC1)CC(C)(C)C 80212531 BBSVKVPAACKIQN-CYBMUJFWSA-N 264.413 3.744 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccco2)cc1OC 83201378 VRUBZXKCIXOAHQ-SOFGYWHQSA-N 272.300 3.583 30 20 CHED CC(C)(C#N)CCOc1cccc2c1OC(C)(C)C2 87595918 YQSXYCSYPQVMKE-UHFFFAOYSA-N 259.349 3.719 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccc2ccccc2c1 96969208 ORIFIYROGCRWHJ-UHFFFAOYSA-N 282.387 3.676 30 20 CHED CN(Cc1cccc(Cl)c1)c1cccc(F)c1C#N 105791053 XISHSUJYRQVEBT-UHFFFAOYSA-N 274.726 3.987 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccccc2C)no1 113730353 OGNXKOWYAMHPBH-LBPRGKRZSA-N 258.321 3.699 30 20 CHED N#C[C@@H](Sc1ncc2ccccn12)C1CCCCC1 115186038 LGGALPCLEWSTPF-CQSZACIVSA-N 271.389 3.899 30 20 CHED C[C@@H](C#N)N[C@H](Cc1ccccc1)c1cccs1 116908710 QBJOLFLTRDJJHB-GXTWGEPZSA-N 256.374 3.534 30 20 CHED CC(C)[C@H]1CCCCN1c1ncc(C#N)cc1Cl 118752684 CODHGZRSBPORJK-CYBMUJFWSA-N 263.772 3.622 30 20 CHED CC[C@@H](C#N)Nc1cc(Br)ccc1OC(C)C 122263645 BGTRXTQGGWBHBU-NSHDSACASA-N 297.196 3.950 30 20 CHED CC(C)(C#N)CCOc1nc(-c2ccccc2Cl)no1 124014063 AXYBFZWJVUOSSL-UHFFFAOYSA-N 291.738 3.709 30 20 CHED COc1ccc(/C=C/C(=O)c2cccnc2)cc1Cl 125215243 SWWFXPLHBFZICC-GQCTYLIASA-N 273.719 3.640 30 20 CHED C[C@@H](c1ccccc1)[S@](=O)Cc1ccc(C#N)cc1 125369749 PDFVPWBYUAAKHX-DJJJIMSYSA-N 269.369 3.568 30 20 CHED C#Cc1cccc(NC(=O)C2(CCOCC)CCCC2)c1 126201230 WRLVZKPDPYNWLV-UHFFFAOYSA-N 285.387 3.593 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](c2ccccc2)C1 127998801 AEOLYIVOQSWKKE-QGZVFWFLSA-N 269.388 3.771 30 20 CHED CCN(CCC#N)Cc1c(O)ccc2oc3c(c12)CCCC3 128413805 DBCPVTITFSNGTJ-UHFFFAOYSA-N 298.386 3.753 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)c2c(F)cccc2F)c1 131938516 CBETVDZWJIJOEO-NSHDSACASA-N 285.293 3.688 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCSc2ccccc21 135469054 ZICSDHLZBXTMEL-CZUORRHYSA-N 275.417 3.942 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@](C)(CO)C1 151429876 HOJCGYSSPAKDJW-KRWDZBQOSA-N 283.456 3.748 30 20 CHED C=CCN(C)C(=O)N[C@H](CC)c1ccccc1OC(F)F 153895836 WNQCVRUWXKGVGO-GFCCVEGCSA-N 298.333 3.567 30 20 CHED C=CCCOCCNC(=O)C[C@@H](CC)c1ccc(C)cc1 155079415 BVGFDISLCAIRNS-MRXNPFEDSA-N 289.419 3.588 30 20 CHED C=CCCCOc1ccc(NC(=O)c2ccco2)cc1 156900273 BULIGRXASRRJSJ-UHFFFAOYSA-N 271.316 3.877 30 20 CHED N#Cc1ccc(COC(=O)[C@@H](c2ccccc2)C2CC2)cc1 162235640 HITSREOCTBVJOF-SFHVURJKSA-N 291.350 3.795 30 20 CHED C#CC[C@@H](OC(=O)/C=C(\C)c1ccccc1)c1ccccn1 172027744 XCASKTHOQUJCIR-LGHUBQEGSA-N 291.350 3.793 30 20 CHED N#Cc1ccccc1OCCSc1ccccc1C#N 173716351 KRCQZJVLGROMPQ-UHFFFAOYSA-N 280.352 3.601 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1CCCSCC#N 174174430 NZUIURWJEJERLI-KBPBESRZSA-N 254.443 3.534 30 20 CHED C[C@@H](CNCc1ccc(C#N)s1)Cc1cccs1 176976193 ABNLLCUIMGPIQW-LLVKDONJSA-N 276.430 3.650 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C 177868673 JPDDRVXHKRXRKL-KBPBESRZSA-N 277.433 3.870 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1c(F)cccc1Cl 178633435 ZBZURBFDLKJXDF-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)[C@@H](C)CC)c1ccccc1 179107517 QCAZFFXXQRDQTJ-SOUVJXGZSA-N 259.393 3.897 30 20 CHED C#CCCCCC(=O)N1CCCSc2ccccc21 179706089 MVNYZMFHVPOYCO-UHFFFAOYSA-N 273.401 3.709 30 20 CHED COc1ccc(C(=O)OCC(C)(C)C#N)c2ccccc12 180168807 ZCPQWPVMMAJCOE-UHFFFAOYSA-N 283.327 3.555 30 20 CHED CCC(CC)[C@H]1C[C@H](NCc2ccc(C#N)s2)CCO1 180372471 NTMXZZWLHMPKEZ-CZUORRHYSA-N 292.448 3.693 30 20 CHED C#CCSCCN[C@H](C)c1cccc(-c2ccncc2)c1 181098090 DTCZHLXVDCCOJF-OAHLLOKOSA-N 296.439 3.766 30 20 CHED C=CC1CCN(C(=O)[C@H](C)Cc2ccc(C)cc2)CC1 181773571 LYBCNXILFRNSLJ-OAHLLOKOSA-N 271.404 3.598 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)c(F)c1)c1ccncc1 182247944 PAJQHUOIZYRYCC-HNQUOIGGSA-N 293.244 3.718 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2ccc(F)cc2F)CCC1 182672068 AUKPIRUTIMWESH-UHFFFAOYSA-N 293.357 3.811 30 20 CHED N#CC1(COC(=O)CCc2ccc3[nH]ccc3c2)CCCC1 183890761 FHABYUDQYHGBHO-UHFFFAOYSA-N 296.370 3.728 30 20 CHED N#CCCCN[C@H](Cc1ccccc1)c1cccs1 184980382 KRNLDABZIHSWBJ-OAHLLOKOSA-N 270.401 3.925 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2ccc(Cl)cc2)C1 185755136 PIWKEZQAZQQDGD-DZGCQCFKSA-N 262.784 3.554 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cn1ccc2ccccc21 187509917 WCKQNWYAFHMGOG-UHFFFAOYSA-N 297.402 3.572 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(c2ccsc2)CC1 187999265 FFKPDQZYXIMTTO-UHFFFAOYSA-N 275.417 3.504 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccsc1Cl 189417399 PHOVAUCNNJDSQQ-UHFFFAOYSA-N 256.758 3.607 30 20 CHED C#CCCCC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 192272419 RPFIOTLULKNEBH-ZWKOTPCHSA-N 283.415 3.708 30 20 CHED C#CCCCC(=O)N1CCCCC[C@H]1c1ccc(C)o1 192340370 ZRMBTOUEDOZJDM-HNNXBMFYSA-N 273.376 3.835 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1NCc1ccc(OCC#N)cc1 193131523 GIMLQLCHZDTYAT-CZUORRHYSA-N 272.392 3.503 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(SC)c1 193279440 ZPTBAWKZLLGKCN-UHFFFAOYSA-N 262.378 3.614 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCCOC(F)F 193614805 ARDDNTWWKMTILQ-UHFFFAOYSA-N 294.223 3.618 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2ccc(Cl)s2)C1 193812613 DFGHRGJEUSTYPF-QMTHXVAHSA-N 296.823 3.533 30 20 CHED C[C@@H](C#N)NC(=O)c1sc2cc(Cl)ccc2c1Cl 195444754 UAWSCLSFOYCFKV-LURJTMIESA-N 299.182 3.850 30 20 CHED Cc1cccc(OCc2ccc(F)cc2C#N)c1C 216812587 HHHNCLRFOYPAIN-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC1(C)OB(C2=CC[C@@]3(CCOC3(C)C)CC2)OC1(C)C 222069202 OCGPNABCQQTNCW-KRWDZBQOSA-N 292.228 3.913 30 20 CHED CCCCCCCCC(=O)Nc1cccc(F)n1 228828101 VYQMHANQMSEKHT-UHFFFAOYSA-N 252.333 3.910 30 20 CHED CC(C)CN(Cc1ccc(F)c(C#N)c1)CC(C)C 229748473 HCCJCLBFBQQNHC-UHFFFAOYSA-N 262.372 3.811 30 20 CHED CC1=CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 230812117 YWFHUDYCOFRZIL-UHFFFAOYSA-N 266.266 3.733 30 20 CHED COC(=O)CC1(CSc2ccc(Cl)cc2C#N)CC1 234614465 DIHLNPCOBOXHPP-UHFFFAOYSA-N 295.791 3.647 30 20 CHED CSCCCCCNc1nccc(C#N)c1Cl 235198985 NLZAKCIVYVFLFB-UHFFFAOYSA-N 269.801 3.552 30 20 CHED N#Cc1ccnc(NCCC2=CCCCC2)c1Cl 236056666 GMISYXFAKRLBBE-UHFFFAOYSA-N 261.756 3.909 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@@H](C)C[C@H]2c2cccnc2)n1 248605503 WDQMZBCEXJLJEC-SJCJKPOMSA-N 292.386 3.553 30 20 CHED Cc1ccc(NC(=S)NN=Cc2ccccc2C)cc1 252460449 FLYCNFKRXZMVJA-UHFFFAOYSA-N 283.400 3.624 30 20 CHED CC(C)CCN(C(=O)/C=C\c1ccccc1C#N)C1CC1 255083266 UJOPLZFRUUIQLK-YFHOEESVSA-N 282.387 3.609 30 20 CHED CCCCON=C(C)c1nc2ccccc2n1C(F)F 255109399 OKHXAMVKFAAYEB-UHFFFAOYSA-N 281.306 3.972 30 20 CHED C=C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 264182387 ONWYNUWQZIHPJZ-UHFFFAOYSA-N 270.159 3.786 30 20 CHED C=C1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 264471978 NRGIRLWJEKDXLP-UHFFFAOYSA-N 294.398 3.813 30 20 CHED C=CCC(CC=C)C(=O)N(CCC(F)(F)F)CC1CC1 268170745 GQEQKGAHCWDFAV-UHFFFAOYSA-N 289.341 3.946 30 20 CHED COc1ccc(CC/C(C)=N/OCCCCCCO)cc1 270553337 GWTXDCPICPNARK-OBGWFSINSA-N 293.407 3.573 30 20 CHED C[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1cccc(Cl)c1 274383636 ZATABFFMZZBKHC-ZBEGNZNMSA-N 292.810 3.888 30 20 CHED CCSc1ccccc1OC(=O)CC(C)(C)C#N 278296409 HNJNLFYJHCUPQP-UHFFFAOYSA-N 263.362 3.644 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2ccc(C(F)(F)F)cn2)C1 278517098 FYNCEADRVMORHG-PSASIEDQSA-N 272.295 3.885 30 20 CHED CC[C@@H](NCCc1ccc(O)cc1)c1ccc(C#N)cc1 278710298 LNNFTMFVBVNHSY-GOSISDBHSA-N 280.371 3.547 30 20 CHED CN(Cc1ccccc1C(F)(F)F)C(=O)CC(C)(C)C#N 278711568 GROPFXWITXLUTG-UHFFFAOYSA-N 298.308 3.604 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C#N)oc1C 280631039 MCFJKKPYNRJUBF-NHYWBVRUSA-N 274.364 3.501 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](CCC#N)c1ccccc1 281819538 JAUMLKUDWRAHHB-CVEARBPZSA-N 285.391 3.685 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 286276086 WTXOWLFICJMQIR-KSZLIROESA-N 281.399 3.585 30 20 CHED CCc1nc(C)c(CN[C@@H](CC)c2ccc(C#N)cc2)o1 291927117 OLSIIYLZEUDNDZ-HNNXBMFYSA-N 283.375 3.658 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc([S@](C)=O)cc1 293844778 YAIRGJFWFWAGBF-YJYMSZOUSA-N 279.449 3.677 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1nc(C)oc1C 294180130 JQMJAHIWUMIYAN-UHFFFAOYSA-N 284.359 3.510 30 20 CHED CN(Cc1cccc2ccccc12)c1cccc(C#N)n1 301295558 XIJLNDRPZYBYHT-UHFFFAOYSA-N 273.339 3.743 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H]1Cc2ccccc2O1 301376564 ROMRINPJGIQEHH-ZDUSSCGKSA-N 284.746 3.627 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1cccc(Cl)c1 301459543 UQMVJUNHMIFKKE-UHFFFAOYSA-N 297.851 3.998 30 20 CHED Cc1cc(C)c2c(c1)CN(c1ncc(C#N)cc1Cl)CC2 302524151 ZNUMJATYBJILKF-UHFFFAOYSA-N 297.789 3.786 30 20 CHED CCCC1(C/N=C(/N)Nc2cccc(CC)c2)CC1 305080671 MHZNRXMGVFHAJY-UHFFFAOYSA-N 259.397 3.556 30 20 CHED Cc1nc(N[C@@H](C)CC(F)(F)F)c(Cl)cc1C#N 311050786 XBOWTVWLBCPEMK-LURJTMIESA-N 277.677 3.668 30 20 CHED C=C(CC)CN[C@H]1CCSc2c(F)cccc21 313489380 RTUBAGNUOJYHDK-ZDUSSCGKSA-N 251.370 3.918 30 20 CHED CO[C@](C)(CNc1ccc(C(F)(F)F)c(C#N)c1)C1CC1 314712001 MUVOSPHUGKTSCN-CQSZACIVSA-N 298.308 3.804 30 20 CHED OC(=Nc1cccc2ocnc12)[C@@H]1CCCCS1 328860751 ANBQZUTVUAUIFU-NSHDSACASA-N 262.334 3.702 30 20 CHED N#CC1(/C(O)=N/CC2(c3ccncc3)CCCC2)CCCC1 329081612 RTRDTUQNBGVZJA-UHFFFAOYSA-N 297.402 3.934 30 20 CHED OC(C[C@@H]1CCCC(O)=N1)=Nc1ccc2ccccc2n1 329309257 BVQCIYKFBIUXSL-LBPRGKRZSA-N 283.331 3.722 30 20 CHED C[C@@H](C(O)=Nc1cccc(C#N)c1)N1CCC[C@@H](C2CC2)C1 329677643 WRHYOBDMXOLXNN-XJKSGUPXSA-N 297.402 3.657 30 20 CHED CC(C)(CCC(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 330452866 ZQGJDTHDCPISQL-GDBMZVCRSA-N 284.403 3.553 30 20 CHED CC[C@H](/N=C(/O)c1csc(C(C)(C)C)n1)[C@@H]1CCCO1 330471491 CRQNEEMFMFWWIY-JQWIXIFHSA-N 296.436 3.703 30 20 CHED CCc1ccc(N/C(O)=N/C[C@@H]2CCO[C@H](C)C2)cc1C 330640106 WPWBWMIZAGBSLX-ZIAGYGMSSA-N 290.407 3.698 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1=CCCCC1 335089034 FAXGAJWFSGKKLB-ZDUSSCGKSA-N 268.360 3.578 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C 335584223 SNAYMTUTMFBBLH-GHMZBOCLSA-N 291.782 3.526 30 20 CHED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(C#N)cc1 335871757 PNEANISOLLLRIT-DJJJIMSYSA-N 287.366 3.768 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2ccc(C#N)c(C#N)c2)C1 339656528 FQZIJNKUUMKIIK-GFCCVEGCSA-N 281.359 3.585 30 20 CHED N#Cc1ccnc(N2CCC[C@]3(CC=CCC3)C2)c1Cl 342412720 JZZJKLGPAYNTDM-MRXNPFEDSA-N 287.794 3.933 30 20 CHED C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC1(CC#N)CC1 343490782 LXNLVVWAAIVOHA-LBPRGKRZSA-N 296.336 3.920 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)NCC(C)(C)CCC#N 345875674 ADFXMOLEYJNEMH-AWEZNQCLSA-N 294.439 3.560 30 20 CHED Cc1ccc(SCC(=O)NCC(C)(C)CCC#N)cc1 346006550 OLFATUMHKLYQQO-UHFFFAOYSA-N 290.432 3.533 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CCC1CC1 346312080 LMZUZUZNDKJPLC-GFCCVEGCSA-N 271.364 3.567 30 20 CHED CCN(CCCc1ccncc1)[C@@H](C)c1ccc(C#N)cc1 347302900 QBPYHVPHIZARAN-INIZCTEOSA-N 293.414 3.969 30 20 CHED C=CCN1CC[C@H](S[C@@H](CC)c2ccccc2)C1=O 347775986 KTCSVJAVXPBUAY-GJZGRUSLSA-N 275.417 3.658 30 20 CHED C=CCN(CCc1ccccc1)Cc1nc(C)c(C)s1 357727002 HDLDUCSHCOBYDT-UHFFFAOYSA-N 286.444 3.991 30 20 CHED CSc1ccccc1CN(CCC#N)CC1CC1 358069324 SUNUDDDUWRZFTF-UHFFFAOYSA-N 260.406 3.534 30 20 CHED C=CCOCCCSCC(=O)Nc1cc(C)cc(C)c1 359145033 PSCJEUVUQNFQBV-UHFFFAOYSA-N 293.432 3.568 30 20 CHED CCCc1nc(C)c(NC(=O)c2ccc(C#N)s2)s1 362525482 MVOSSNUQFXPTSC-UHFFFAOYSA-N 291.401 3.590 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCc1ccc(-c2ccncc2)cc1 373349446 UPTIHAQSWOTKTF-OAHLLOKOSA-N 294.398 3.967 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1CCCCC1(F)F 381542975 SERABLBHPFLRKO-NSHDSACASA-N 268.282 3.935 30 20 CHED CN(Cc1ccc(Br)cc1C#N)C(C)(C)C 382132441 OHNVJMUAXCLXQH-UHFFFAOYSA-N 281.197 3.551 30 20 CHED Cc1ccsc1CN(C)c1nc2c(cc1C#N)CCCC2 383998618 WBDBTQJTOYTCGA-UHFFFAOYSA-N 297.427 3.838 30 20 CHED C=CCCCCCCNCc1cc(C)c(C(=O)O)o1 389103450 GAEORKQLQPXZHU-UHFFFAOYSA-N 265.353 3.512 30 20 CHED Cc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)n1 410926065 HSYCAHQTLDRNHL-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CC 413829952 WXBVKACIKZERPR-SJORKVTESA-N 286.419 3.758 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)C[C@H]1C 413834525 MIEOEOQCVYOOJQ-BFYDXBDKSA-N 286.419 3.614 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)nc1C 414166969 OMYBXFVLNFIXEA-ZDUSSCGKSA-N 283.350 3.560 30 20 CHED COc1cc(CNc2ccc3c(c2)CCCN3)ccc1C#N 414848706 KUOZQZRQTLROIG-UHFFFAOYSA-N 293.370 3.537 30 20 CHED CC[C@H](C)[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 416346752 MEOKYDWQFUHFIE-HOCLYGCPSA-N 284.403 3.626 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421557739 LUIYMUQXWNQXIR-JSGCOSHPSA-N 281.359 3.503 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1 424325432 KTQZQIAEYQDUJU-IEAZIUSSSA-N 272.367 3.744 30 20 CHED Cc1ccc(CCCCC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 424978486 PZEVHTKTBPXSJK-DLBZAZTESA-N 284.403 3.516 30 20 CHED C[C@@H](Nc1ncc2c(c1C#N)CCC2)c1ccccc1 425197606 CAYFTQWKEPTJSV-GFCCVEGCSA-N 263.344 3.615 30 20 CHED COc1ccc(CCN(C)[C@@H](C)c2cccc(C#N)c2)cc1 425535614 NQFYTKBVGMPQCP-HNNXBMFYSA-N 294.398 3.802 30 20 CHED Cc1ccc(NC(=O)CNc2cccc(C#N)c2C)cc1C 431336628 FIDUBBIFSAPYEP-UHFFFAOYSA-N 293.370 3.534 30 20 CHED Cc1cc(CN(C)c2ncc(C#N)cc2Cl)ccc1F 436423363 SEXNXSJPHYRORI-UHFFFAOYSA-N 289.741 3.691 30 20 CHED CC(C)(C)CSCCCC1(C#N)CCOCC1 440584748 PAEVGXQKEVSUJD-UHFFFAOYSA-N 255.427 3.866 30 20 CHED COc1cc(CNc2cccc3cnccc23)ccc1C#N 440802800 BBXVBGHIYAPJNU-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCSCc1ccccc1C(=O)N[C@@](C)(C#N)C(C)C 447964517 MYMHWGWLUQTLEI-INIZCTEOSA-N 290.432 3.608 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCc2c(Cl)cccc21 448784460 SXSLZKQJOFKAQV-ZDUSSCGKSA-N 263.768 3.656 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc(CS(C)(=O)=O)c1 449048111 DTOIGQZXPIRFOK-CQSZACIVSA-N 295.448 3.778 30 20 CHED CC(C)CCn1cccc1CNCc1ccc(C#N)c(F)c1 449733844 KNEDIHHCBJDEKB-UHFFFAOYSA-N 299.393 3.835 30 20 CHED CCC(CC)(CCO)CNc1cccc(Cl)c1C#N 450367898 ZXQPVVAYWCMUBL-UHFFFAOYSA-N 280.799 3.812 30 20 CHED N#CCCCOc1ccc(Cl)c(Br)c1 451007395 CIRQLUFIEBPELF-UHFFFAOYSA-N 274.545 3.785 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(-c2ccccc2)o1 453341806 CYTUJNNQCFYKJT-IMJJTQAJSA-N 283.371 3.941 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2scnc2C(C)C)n1 453580311 BWVPFYCFICTMBC-VIFPVBQESA-N 291.401 3.522 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCCCCC#N 454450577 HWNAUAMQEOEMSO-HUUCEWRRSA-N 279.428 3.586 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1ccc(C)s1 455315789 UTYCDCNBNSUGRY-ZDUSSCGKSA-N 278.421 3.869 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCCC2=O 455709640 HQMWUOBUCJXMCM-OAHLLOKOSA-N 298.386 3.778 30 20 CHED C=C(CC)CNC(=O)c1cc(C(C)C)c(O)cc1C 456810961 HXGPTEWSBBYROH-UHFFFAOYSA-N 261.365 3.520 30 20 CHED CCC[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)C1CCC1 458300616 CFHCAAKZMZFNEW-ZWKOTPCHSA-N 298.430 3.844 30 20 CHED CCC[C@H](Cc1ccccc1)NCC(C)(C)CC#N 459659991 AOWLOJVDNVFFMO-MRXNPFEDSA-N 258.409 3.927 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCCCC12CCCC2)OCC 462981984 SKSZRQNWRICLJU-JKSUJKDBSA-N 293.451 3.977 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)CCOc1ccccc1 465026674 CUTMJXMXAYBOLI-OAHLLOKOSA-N 275.392 3.516 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1N(C)c1ccccc1 465152292 SIOKKKNOBOKLAV-CQSZACIVSA-N 280.371 3.759 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(OCCOC)cc1 467412467 IIFFZOHVUJMIDJ-GDBMZVCRSA-N 277.408 3.717 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Cc1cccc(Cl)c1 471716570 WVWIOKLFPCTSEN-ZDUSSCGKSA-N 279.811 3.991 30 20 CHED C=CCN(Cc1ccc(C#N)cc1F)c1ccccc1 475123385 XFPVWSZRTPAYJT-UHFFFAOYSA-N 266.319 3.890 30 20 CHED C=CCC1(C(=O)NCc2ccccc2OC(C)C)CCC1 479667845 RTQRHMGPJWDVPT-UHFFFAOYSA-N 287.403 3.836 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NCc1cc(C#N)n(C)c1 480342788 ITELLOJGGLQSAK-RDJZCZTQSA-N 273.424 3.591 30 20 CHED C[C@H]1CN(Cc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 483072764 WJHREIFMOVFGNN-UGSOOPFHSA-N 280.346 3.890 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)[C@H]1CCc2ccccc2C1 483961354 PGGDJDYIPZZHQK-SFHVURJKSA-N 294.373 3.687 30 20 CHED C[C@H](C#N)CSc1ccccc1NCCC(C)(C)O 488204723 WINRVZGSWOCNSD-GFCCVEGCSA-N 278.421 3.511 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 488937710 PUDVITMSOCWWTJ-OAHLLOKOSA-N 298.386 3.778 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 489766135 LHISFYNTYJYXFE-KBPBESRZSA-N 293.357 3.787 30 20 CHED C=CCn1cccc1C(=O)N(C)c1cccc(SC)c1 489989925 ZULQEHUKQQFOHG-UHFFFAOYSA-N 286.400 3.673 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(C#N)cc1OC 501255195 BEOMPFKJPIBATL-UHFFFAOYSA-N 294.398 3.631 30 20 CHED C=CCN(CC=C)Cc1ccc(OC)c(OCC(=C)C)c1 505881107 FINKYNHMNKMKKN-UHFFFAOYSA-N 287.403 3.824 30 20 CHED C=CCCCNC(=O)c1cc(F)c2ccccc2c1 509520372 OLMHDORBJDABNO-UHFFFAOYSA-N 257.308 3.675 30 20 CHED CC(C)(C#N)CNC(=O)N1CCCCC[C@@H]1c1ccccc1 512798467 UNNVGMSVYJPMPV-MRXNPFEDSA-N 299.418 3.863 30 20 CHED CC(C)(C#N)CC[S@@](=O)CC1(C)CCCCC1 515217092 JKNKLUUCKMYWJK-QGZVFWFLSA-N 255.427 3.645 30 20 CHED Cc1sc(NC(=O)c2cccc3c2CCC3)c(C#N)c1C 516258290 JAEUIFXAYKUNIS-UHFFFAOYSA-N 296.395 3.978 30 20 CHED C=CCCCCNc1cc(C(=O)N(C)C)ccc1OCC 516848947 ATHZPYQDEKJIAW-UHFFFAOYSA-N 290.407 3.555 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](CC)Cc1ccccc1 517753953 UOGAGHROEWHTEV-JKSUJKDBSA-N 259.393 3.726 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1cc(C(C)(C)C)n[nH]1 519800762 NCTIFMPRIQMSPI-UHFFFAOYSA-N 290.455 3.859 30 20 CHED C=CCCCCCN1C[C@@H](C(=O)O)[C@@H](c2ccccc2)C1 520594625 PBHIKXYRWSZKPE-IAGOWNOFSA-N 287.403 3.533 30 20 CHED C=CC1CCN(Cc2cc(F)ccc2Br)CC1 522081475 HIJLIEYGWXGNAZ-UHFFFAOYSA-N 298.199 3.986 30 20 CHED CC1(C)CC(CNC(=O)C[C@H](CC#N)c2ccccc2)C1 527003743 QUDXDTMJWSERLK-INIZCTEOSA-N 284.403 3.626 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 529492442 UONYZAOVPATUHQ-CHWSQXEVSA-N 264.413 3.647 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nccc2ccc(C)cc12 529520586 ZPZINQAVMONXEA-UHFFFAOYSA-N 281.359 3.812 30 20 CHED CC1(C)COc2cc(N[C@@H]3CCC[C@@H](C#N)C3)ccc21 529641124 JGKJQPCJQLDMPO-CHWSQXEVSA-N 270.376 3.851 30 20 CHED CCN(Cc1ccccc1C#N)c1ccccc1OC 532652454 BMBTVMBXTDRNHG-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C=C(CC)CN(C#N)c1ccc(F)c(Br)c1 536900590 KXOODXJBNQJTAQ-UHFFFAOYSA-N 283.144 3.842 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C 537478274 YUTCOERXWTUMQE-HZSPNIEDSA-N 269.429 3.543 30 20 CHED C=CCN(C(=O)N[C@H](CCC)c1ccccc1)C1CC1 538960337 WYDKBEXKAMVHNP-MRXNPFEDSA-N 272.392 3.888 30 20 CHED C[C@H](NC[C@H](C1CCCCC1)N(C)C)c1ccc(C#N)cc1 539498417 OQGQGIJRMUQETG-HNAYVOBHSA-N 299.462 3.719 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnc(C(C)(C)C)nc1 540549101 MGFQBGHJUWQHKC-GFCCVEGCSA-N 290.411 3.640 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2c(F)cccc2[nH]1 540620739 APKBXGRGRNYNBU-NSHDSACASA-N 274.339 3.782 30 20 CHED C=CCCC[C@H](C)N1CCC2(CCOCC2)[C@@H]1C 543574824 QYLFOBJWTOXMCV-GJZGRUSLSA-N 251.414 3.622 30 20 CHED N#Cc1cc(N[C@@H]2CCC[C@@H]2F)ccc1C(F)(F)F 549296185 FGJQQEHCKORFSH-NWDGAFQWSA-N 272.245 3.880 30 20 CHED COCc1ccccc1/C=C(\C)CN(CCC#N)C(C)C 552029602 DZXFVUDVRROEEL-FOWTUZBSSA-N 286.419 3.860 30 20 CHED N#Cc1c(F)cccc1N1CCC=C(c2ccccc2)C1 553593815 DJYYMDOPGYDLCB-UHFFFAOYSA-N 278.330 3.991 30 20 CHED C[C@H]1C[C@H](CCN[C@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 555235058 XFLNGQKCPQFHLN-QKPAOTATSA-N 286.419 3.803 30 20 CHED CCSCc1noc(-c2ccc(C#N)c(Cl)c2)n1 558335857 WUNQEIXQMRJNFS-UHFFFAOYSA-N 279.752 3.515 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 559719800 PEJWJXMYDKEMDH-MVJTYMMSSA-N 283.415 3.899 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 562594365 BWBICHPJVXGYOL-NVXWUHKLSA-N 295.386 3.519 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CSc3ccccc31)CC2 563296355 TZVCZTULLPOEHE-DLBZAZTESA-N 292.407 3.982 30 20 CHED CCC1(C(=O)NCCc2cccc(C#N)c2)CCCCC1 563865043 UCHINGPEWMLKPV-UHFFFAOYSA-N 284.403 3.577 30 20 CHED Cc1oc2ccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)cc2c1C 565403842 XCWADBMPYSYGLC-XXFAHNHDSA-N 268.316 3.538 30 20 CHED CC(C)(CCC(=O)Nc1cccc(C#N)n1)c1ccccc1 565778656 RUXJTRRVQUPOKN-UHFFFAOYSA-N 293.370 3.650 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)C1(C#N)CC(C)C1 566271621 VEUXGTHWUFGFHV-UHFFFAOYSA-N 286.375 3.661 30 20 CHED CC(C)Cn1ncc(Nc2ncc(C#N)cc2F)c1C1CC1 570059432 GPKABRHZVIGPPJ-UHFFFAOYSA-N 299.353 3.566 30 20 CHED C[C@H](C#N)CN(C(=O)Nc1ccc2ccoc2c1)C1CC1 572705601 BRQPYCLWLNICCA-LLVKDONJSA-N 283.331 3.589 30 20 CHED N#Cc1cncc(N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 574305968 DXNMWHOBRULGGX-TZMCWYRMSA-N 298.777 3.750 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CC[C@H](C)CC1 575185305 UYQIBVDJVDBEAW-IEZWGBDMSA-N 298.430 3.844 30 20 CHED C=C1CCN(C(=O)CCCc2ccc(SC)cc2)CC1 576348930 YXEBOVKGJNNYBE-UHFFFAOYSA-N 289.444 3.910 30 20 CHED C=CCCC1(c2nc(-c3cc(C)cc(C)n3)no2)CC1 579882332 CNHNVTHBQWJUNE-UHFFFAOYSA-N 269.348 3.746 30 20 CHED CC1(C)CCc2ccccc2[C@@H](Nc2cc(C#N)ncn2)C1 580136985 YAVPACDSZRXRSD-INIZCTEOSA-N 292.386 3.864 30 20 CHED N#Cc1cnc2ccccc2c1N1CC[C@@H](CC2CC2)C1 581738940 IQTMUIOUANMOLA-AWEZNQCLSA-N 277.371 3.733 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)CC(C)(C)C#N 583856892 KKTFDTLMQXFRRC-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED CN(C/C=C\c1ccc(Cl)cc1)CC(C)(C)C#N 583950827 ZBIVTAKBQAURFF-PLNGDYQASA-N 262.784 3.835 30 20 CHED CN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccccc1C#N 592606959 FLAREWDJXQFBJT-UONOGXRCSA-N 270.376 3.593 30 20 CHED CC(C)CC[C@@H](C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593939135 BWHKQQFYDCXMPA-HUUCEWRRSA-N 286.419 3.678 30 20 CHED CC[C@@H](CN[C@@H](C)c1cccc(C#N)c1)CC(F)F 595416423 XHLFVGBVSXGUMW-NWDGAFQWSA-N 266.335 3.890 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1CCc1ccc(C#N)cc1 595429729 JGSUDQXNIADBGT-SWLSCSKDSA-N 296.336 3.764 30 20 CHED Cc1ccc(CN(c2nc(C#N)c(Cl)s2)C2CC2)o1 596083898 YFXPBMIJTVBBAY-UHFFFAOYSA-N 293.779 3.739 30 20 CHED CC1(C)CCC[C@@H]1Nc1nc(C#N)c(Cl)s1 596152726 LRVPIHAXXUFMJN-QMMMGPOBSA-N 255.774 3.659 30 20 CHED N#CC1(COc2cccc(-c3ccccn3)c2)CCC1 596318426 UYIRJFFZMAYFQB-UHFFFAOYSA-N 264.328 3.821 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)C1[C@H]2CCCCCC[C@H]12 596744293 QMOCSVVEJYZQLS-IRXDYDNUSA-N 296.414 3.733 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)CC2(C#N)CCCCC2)C[C@H]1C 597500606 MGDPRUBBMZZVLD-RBSFLKMASA-N 276.424 3.791 30 20 CHED C=CCCSCCNC(=O)[C@@H](SC)c1ccccc1 597968205 OZPRQNROSJTOGR-AWEZNQCLSA-N 295.473 3.516 30 20 CHED Cc1csc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)n1 599037492 DPSGKGIZPTWUQL-GFCCVEGCSA-N 283.400 3.663 30 20 CHED N#Cc1cc(Cl)c(C(=O)NCC2CC=CC2)c(Cl)c1 600225149 YHOBZIFAFHJMQC-UHFFFAOYSA-N 295.169 3.561 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)C[C@@H](C)C1CCCCC1 600476587 PTXWMWIDEFFNJR-CZUORRHYSA-N 264.413 3.601 30 20 CHED C[C@@H](SCC(=O)NCC(C)(C)C)c1ccc(C#N)cc1 600620249 FUDUAUWTCHFJDG-GFCCVEGCSA-N 290.432 3.515 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)Cc1cccc(C#N)n1 602442478 ZCVWIGMBKOVVFK-LBPRGKRZSA-N 285.778 3.800 30 20 CHED CCN(CC)Cc1cccc(CNC[C@@H](C)CCC#N)c1 602523054 YPTSOSDRVZKPJC-INIZCTEOSA-N 287.451 3.558 30 20 CHED C[C@@H](CCC#N)CNc1cccc2c1OC(C)(C)C2 602647034 SCPWJCBJBADYCJ-LBPRGKRZSA-N 258.365 3.752 30 20 CHED CCCCc1ccc(C(=O)N(CC)C[C@H](C)C#N)cc1 604352966 GXRPUXKQDMPVQP-CQSZACIVSA-N 272.392 3.651 30 20 CHED C=CCCCCCN(C)C(=O)COc1ccccc1C 606816521 CJHDHXKASRVZGT-UHFFFAOYSA-N 275.392 3.579 30 20 CHED N#Cc1nccnc1NCC1(c2ccccc2)CCCCC1 608830663 ZLXMJTYIQAROCW-UHFFFAOYSA-N 292.386 3.662 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C#N)CC(C)C 609701645 SUZCVVFBQQQIMC-HUUCEWRRSA-N 272.392 3.543 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1Cc1ccccc1C#N 610003946 RNQQPYGNXBIYJE-CYBMUJFWSA-N 280.346 3.817 30 20 CHED CC(C)[C@H](C)Sc1cc(C#N)ccc1[N+](=O)[O-] 613425769 GSDOGSCRAUOTKV-VIFPVBQESA-N 250.323 3.603 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2CCc3ccccc32)C1 617783662 DLWYQWJKJSXNCE-NVXWUHKLSA-N 283.415 3.921 30 20 CHED CC[C@@H](N[C@@H](CO)c1ccccc1C)c1ccc(C#N)cc1 618571605 XLMZSOSTAFLRFO-MOPGFXCFSA-N 294.398 3.641 30 20 CHED C=CCC1(NC(=O)Cc2coc3ccccc23)CCCC1 619111142 WDISQZYCGSRNTC-UHFFFAOYSA-N 283.371 3.980 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC(C3CCCC3)C2)n1 619503573 PFHAQGUCABHXBR-UHFFFAOYSA-N 283.419 3.877 30 20 CHED N#CCc1cccc(C(=O)N2CCCCc3sccc32)c1 619557747 WPCCOPLRNTYGLK-UHFFFAOYSA-N 296.395 3.797 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 620857581 BGYCKVMOWKMQIX-LSDHHAIUSA-N 281.440 3.689 30 20 CHED C=CCCC(C)(C)NC(=O)COc1ccccc1Cl 620863762 BAVSNJWTTARSHO-UHFFFAOYSA-N 281.783 3.580 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(F)ccc(F)c1Cl 622861684 CBZBBTRPSFPUFA-MRVPVSSYSA-N 273.710 3.703 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](OC)c1cccc(OC)c1 624031316 DALOKBXGIHKKMT-GRDNDAEWSA-N 277.408 3.573 30 20 CHED C=CCC1(C(=O)N2C[C@H](CC)OC[C@H]2C)CCCCC1 650472215 ALNDXKPIMULCFA-CABCVRRESA-N 279.424 3.539 30 20 CHED C=CCOc1cccc(CN2CCC3(CC2)CC3(F)F)c1 651953514 KCNDHTAABKMZHT-UHFFFAOYSA-N 293.357 3.873 30 20 CHED C=CCC[C@@H](CC)NCc1cnccc1C(F)(F)F 663473271 GEFKTABIYQNAIJ-GFCCVEGCSA-N 272.314 3.935 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCCC(F)(F)C2)C1 664482741 SJOWDQSUMYUHKN-OLZOCXBDSA-N 286.366 3.562 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(COC)cs1 669049435 UVTBMGDIWUBYPF-UHFFFAOYSA-N 281.421 3.713 30 20 CHED C=C[C@@H](CC(=O)NC1(C(F)(F)F)CC1)c1ccccc1 677612352 AMRYSKBIIMIVAI-NSHDSACASA-N 283.293 3.557 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1cc(C)cc(C)n1 682449368 AIXSNWBECSDSFE-AWEZNQCLSA-N 292.448 3.604 30 20 CHED Cc1c([C@H](O)C2CCC2)ccc(C#N)c1C(F)(F)F 725326730 QZXDGKXVJBUBKN-CYBMUJFWSA-N 269.266 3.719 30 20 CHED N#CCOC(=O)C1(c2ccc(Cl)cc2)CCCCC1 725955900 LSZGPUAYZXMPKN-UHFFFAOYSA-N 277.751 3.609 30 20 CHED CC(=NNC1CCCC1)c1ccccc1C(F)(F)F 727652355 YPSAPTWPRFSBHN-UHFFFAOYSA-N 270.298 3.962 30 20 CHED C=CCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727930191 SVLNRNSAPSLOQW-ZJUUUORDSA-N 271.143 3.826 30 20 CHED N#Cc1cccc(/C=C2\Oc3ccc(Cl)cc3C2=O)c1 729151129 OWAWMICORKVVTD-CHHVJCJISA-N 281.698 3.828 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2CCc3ccc(F)cc32)c1 730146834 GXWPFPKQWZIXNW-DZGUVLCISA-N 285.318 3.646 30 20 CHED CC(CSC(C)(C)C)=NN=c1cc[nH]c2ccccc12 730148403 TWGQRSKOXXVJRK-UHFFFAOYSA-N 287.432 3.976 30 20 CHED CC(C)COc1ccc(CC(=O)OCCCCC#N)cc1 730369274 LEQKMMBKRSWLDD-UHFFFAOYSA-N 289.375 3.501 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1C 731312330 NOEPKVIBTSNHSQ-UHFFFAOYSA-N 287.294 3.878 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1F 731489678 JFVNECSQQBISRV-XQRVVYSFSA-N 274.266 3.875 30 20 CHED CON=Cc1ccc(-c2nc(C3CCCCC3)no2)cc1 731793902 IULJZLPXWPJXJQ-UHFFFAOYSA-N 285.347 3.765 30 20 CHED C#CCOc1ccc(CNCC(C)(C)c2ccccc2)cc1 733324314 OVPDVWUUAVXMNO-UHFFFAOYSA-N 293.410 3.766 30 20 CHED CC[C@H]1CCCC(=NNc2cnc3ccccc3n2)C1 734979077 ASQRBULEZACVMV-LBPRGKRZSA-N 268.364 3.998 30 20 CHED CC(=NNc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 735614755 AUDNDUGSUHWXAO-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C=CCN(C(=O)c1cccc(NC(=O)O)c1)c1ccccc1 736108480 UYUJHSILINUTJJ-UHFFFAOYSA-N 296.326 3.609 30 20 CHED Oc1ccccc1/C=N/[C@H](Cc1ccccc1)C1CC1 736430633 CADMTZUZUWRSDY-HNMKQIAWSA-N 265.356 3.832 30 20 CHED Cc1ncsc1/C=C/C(=O)c1c[nH]c2cc(F)ccc12 742435089 RZKSRUMCECVRLQ-SNAWJCMRSA-N 286.331 3.968 30 20 CHED Oc1cccc2c1CCCC2=NNc1ncccc1Cl 743438963 QJATUQCZNOKMJZ-UHFFFAOYSA-N 287.750 3.593 30 20 CHED CCCCOc1ccc(C(=O)OCC2(CC#N)CC2)cc1 744275984 FRGPKGVHDFYVPE-UHFFFAOYSA-N 287.359 3.716 30 20 CHED COc1ccc(C)cc1C=NNc1ccc(F)cc1F 744539874 WCSPBPGRZFXXIQ-UHFFFAOYSA-N 276.286 3.728 30 20 CHED C=CCNC(=S)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 747667412 JSALDPDQWRRWFF-VXGBXAGGSA-N 296.867 3.824 30 20 CHED CCCCCCCCC(=O)Nc1ncccc1OC 749269939 NVSCKGKMCYSTGQ-UHFFFAOYSA-N 264.369 3.779 30 20 CHED C[C@H]1CCC[C@H](CC(=O)OCc2cccc(C#N)c2)C1 750248226 MXTBJNLHWHHWFA-KBPBESRZSA-N 271.360 3.818 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cc(F)cc(F)c1O 750938049 ATEFNXUNSSJOOO-UHFFFAOYSA-N 294.276 3.954 30 20 CHED C=CCOc1cccc(C=NNc2ccc(OC)cc2)c1 750945857 JQRAAKPXULEZAX-UHFFFAOYSA-N 282.343 3.706 30 20 CHED C#CCCCNC(=O)Nc1ccc(COC(C)(C)C)cc1 752716300 JGENRCZBRMSANR-UHFFFAOYSA-N 288.391 3.537 30 20 CHED CC(=Nn1cc(Br)cn1)c1cc(C)sc1C 752748274 VAZAWULWWMNODR-UHFFFAOYSA-N 298.209 3.596 30 20 CHED Cc1cccc(/C=C/C(=O)c2cc(F)ccc2[N+](=O)[O-])c1 752874340 JHUPULWNUKCHCU-VMPITWQZSA-N 285.274 3.938 30 20 CHED Nc1c(Cl)cc(C(=O)/C=C\c2cccnc2)cc1Cl 756264479 DWOGZVRNBZWINV-ARJAWSKDSA-N 293.153 3.867 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1ccc(O)cc1O 757473439 XHRVWPVIZRZPJC-BQYQJAHWSA-N 291.306 3.542 30 20 CHED C#CCCCC(=O)N(C)c1ccc2ccccc2c1 757838018 HKSJUTLDRGBJQB-UHFFFAOYSA-N 251.329 3.606 30 20 CHED C#CCCCCNc1nnc(-c2cccc(F)c2)cc1C 758474785 ZXAZVUXNWVBSRH-UHFFFAOYSA-N 283.350 3.807 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1cc(C)c(OC)cc1C 759194815 DZGOLTZEACAIOQ-AWEZNQCLSA-N 274.360 3.720 30 20 CHED CC[C@@H](CC(=O)Nc1ncc(C#N)s1)c1ccccc1 759633695 KTKPKKQAQOMMEH-NSHDSACASA-N 285.372 3.537 30 20 CHED C=CC[C@H](NCc1ccc(CC)o1)c1ccncc1 760678216 VGTYFCZODILHFQ-INIZCTEOSA-N 256.349 3.644 30 20 CHED C#CCCN(CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 760819264 HSDBWKAJCXAERF-ZDUSSCGKSA-N 299.336 3.738 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1C[C@]12CCOC2 763424859 DCEQHVYGDFQHFN-UXLLHSPISA-N 281.440 3.526 30 20 CHED C#CCCCSc1nnc(-c2cccc(C)c2)n1CC=C 766285260 WLDYTARZRMGXEB-UHFFFAOYSA-N 297.427 3.945 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1cc(F)cc(F)c1 767098367 MLMYFXVOWZZZMY-SNVBAGLBSA-N 266.287 3.619 30 20 CHED N#CC1(COC(=O)CCc2cc(Cl)cs2)CCC1 768079602 XFLFFBKVHSLAAF-UHFFFAOYSA-N 283.780 3.571 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2ccc(Cl)cc2)c1 768375631 PEDGBPGYDPSICI-UHFFFAOYSA-N 291.141 3.706 30 20 CHED CC(C)(C#N)CCCCOC(=O)C[C@H]1C=CCCC1 768878635 QLHAOKGAOIJSQF-AWEZNQCLSA-N 263.381 3.996 30 20 CHED N#Cc1ccc(OC(=O)c2cnc3ccsc3c2)c(F)c1 769737942 AVCBRUYRGBQEAN-UHFFFAOYSA-N 298.298 3.526 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@H](C(C)C)c2ccccc21 772916413 JFCNGBVGVIYVEB-OAHLLOKOSA-N 269.388 3.822 30 20 CHED C=C(Cl)CN[C@@H]1CCCOc2c(C)cc(C)cc21 773003516 DXNAEQIYBJVWBX-CQSZACIVSA-N 265.784 3.859 30 20 CHED Cc1cc(C=NNc2nccnc2C(C)C)c(C)s1 773079238 WUGBHOYXRXFSFP-UHFFFAOYSA-N 274.393 3.724 30 20 CHED N#Cc1cccc(NN=C2CCCNc3ccccc32)c1 774361945 MKRNIPIODIIWQO-UHFFFAOYSA-N 276.343 3.580 30 20 CHED C=C(Br)CN[C@@H](c1ccc(OC)cc1)C(C)C 774413780 ZRVPJUBCEHRZOL-CQSZACIVSA-N 298.224 3.891 30 20 CHED CCC[C@H](C=NOC1CCOCC1)c1ccccc1 774443533 AJSOWWLAHCFEMV-OAHLLOKOSA-N 261.365 3.752 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCC(O)CC1 775524327 FWSKIBMNXJODGX-OAHLLOKOSA-N 283.456 3.747 30 20 CHED C[C@H](CC(=O)OCCC(C)(C)C#N)c1ccccc1F 776382292 TWZZNVNFWBDDKF-GFCCVEGCSA-N 277.339 3.802 30 20 CHED C[C@H](CC(=O)OCCC(C)(C)C#N)c1ccc(F)cc1 776386529 VBIMEZKAYDOGGT-GFCCVEGCSA-N 277.339 3.802 30 20 CHED N#C[C@H](OC(=O)CC1CCSCC1)C1CCCCC1 776397505 OGFVAFVLPCIHFW-AWEZNQCLSA-N 281.421 3.535 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2cncs2)c1 776433620 HVZGKJJONGILBH-SREVYHEPSA-N 273.357 3.826 30 20 CHED COc1cccc(F)c1C(C)=NNc1cc(Cl)ccn1 777905163 CPOMFQRXQNXMHZ-UHFFFAOYSA-N 293.729 3.719 30 20 CHED Clc1ccnc(NN=Cc2cnc(C3CC3)s2)c1 777907587 WUSZGQHDLOOGFA-UHFFFAOYSA-N 278.768 3.515 30 20 CHED C#Cc1cccc(NCc2ccn(-c3cccc(F)c3)n2)c1 778606897 RLGNMELIHPFEEW-UHFFFAOYSA-N 291.329 3.605 30 20 CHED N#CCOc1cc(F)ccc1NC[C@@H]1CCc2ccccc21 779739604 AVFZSMSVUMSCEJ-AWEZNQCLSA-N 296.345 3.870 30 20 CHED Cc1nn(C)c(C)c1C=NNc1ccc(C(C)(C)C)cc1 779824500 CCFCIMVDNCFLJH-UHFFFAOYSA-N 284.407 3.780 30 20 CHED CCC/C(C)=C\C(=O)Nc1ccccc1O[C@H](C)C#N 780154301 PHYHKCVVKDBPKQ-KXXVWKPMSA-N 272.348 3.662 30 20 CHED COCCC1(C=NNc2cncc(Cl)n2)CCCCC1 780209580 IYVUYLFTBLTZII-UHFFFAOYSA-N 296.802 3.515 30 20 CHED N#CC1(COC(=O)c2cnc3ccsc3c2)CCCC1 780540588 HOKMUWMLILMYQI-UHFFFAOYSA-N 286.356 3.537 30 20 CHED C[C@@H](C=NN1Cc2ccccc2C1=O)c1ccc(F)cc1 781597346 PWHCAWHDXOAXDP-LBPRGKRZSA-N 282.318 3.571 30 20 CHED CC(C)OCCON=Cc1cccc(Cl)c1Cl 782307479 CTSVWUZIAAVKJK-UHFFFAOYSA-N 276.163 3.769 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C[C@@H](C)OC)c1 782480537 CTFPGSAEIJPBLF-CQSZACIVSA-N 285.412 3.771 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1nccnc1C 783521257 OYIRIKNZSAJVMN-UHFFFAOYSA-N 295.173 3.928 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCCCS1 784112735 MJLXEFCYDKAMTF-ZDUSSCGKSA-N 257.443 3.749 30 20 CHED CN(Cc1ccc(C#N)cc1Cl)OCc1ccccc1 784340455 CABOTNXENQWIRJ-UHFFFAOYSA-N 286.762 3.775 30 20 CHED CC1(C)CCC[C@@H](NC(=O)/C=C\c2ccccc2C#N)C1 785607453 UMRSFLHXWUQLRQ-ZBTGYSDGSA-N 282.387 3.656 30 20 CHED Cc1ccc(-c2nc(C=NNC3CCCCC3)co2)cc1 786043644 QEQSKCAFHNNPML-UHFFFAOYSA-N 283.375 3.906 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1cc(F)cc(Cl)c1)C1CC1 787032416 DBMMRQHZBNVSSI-JKSUJKDBSA-N 297.801 3.847 30 20 CHED CCO[C@H]1CCCC1=NNc1ccc(Cl)c(OC)c1 788472788 ZIBHEAZNDQKSEE-ZDUSSCGKSA-N 282.771 3.706 30 20 CHED C#CCC1(C(=O)N2CC[C@H]2Cc2ccccc2)CCCCC1 788515165 UCDWYRSLKWWGHE-SFHVURJKSA-N 295.426 3.804 30 20 CHED N#Cc1ccc(S/C=C\c2ccc([N+](=O)[O-])o2)c(F)c1 789922596 PUAYVYMERRQJDW-WAYWQWQTSA-N 290.275 3.962 30 20 CHED CCCOc1ccc(C=NN[C@@H](C)CC)cc1OCC 790186915 CTQBTYVRJQNTCM-ZDUSSCGKSA-N 278.396 3.596 30 20 CHED CCCCCCCCC[S@@](=O)[C@@H]1CCCOC1 790210352 DHNXCRYXVQDZQK-RHSMWYFYSA-N 260.443 3.665 30 20 CHED CC[C@@H](C)CN(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790625297 SCWVTOSOVKYEBO-GFCCVEGCSA-N 297.320 3.561 30 20 CHED C=CCCCCC[C@@H](C)NCCC(=O)N1CCCCCC1 793529024 STMBWJDJMYGETL-QGZVFWFLSA-N 294.483 3.894 30 20 CHED C=CCCCCC[C@@H](C)NCC1CCN(C2CC2)CC1 793569609 WFCRRXCTLXVMTI-MRXNPFEDSA-N 278.484 3.975 30 20 CHED CC(C)(C)OCc1ccc(NC(=O)c2ccc(C#N)o2)cc1 794374775 NYINCQNYQWVZNV-UHFFFAOYSA-N 298.342 3.719 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1ccnc(F)c1 794722937 ZJXUXDIDNZVCJT-RQOWECAXSA-N 278.286 3.665 30 20 CHED COCCCON=Cc1ccc(-c2c(F)cccc2F)o1 795053949 UXMCTQNGNUTUBN-UHFFFAOYSA-N 295.285 3.612 30 20 CHED CC(C)O[C@H](COC(=O)CC(C)(C)C#N)c1ccccc1 795543690 GSDNDSPUNOZLJK-OAHLLOKOSA-N 289.375 3.636 30 20 CHED C=CCOCCOC(=O)C(C)(C)c1ccc2ccccc2c1 797283371 NDDQLPPMXSBPCG-UHFFFAOYSA-N 298.382 3.863 30 20 CHED N#Cc1ccc(N2CC[C@H](c3ccccn3)C2)cc1Cl 798416269 MPYULUCUPIWWKW-ZDUSSCGKSA-N 283.762 3.601 30 20 CHED CC(C)(C#N)CC(=O)OCCC1CCCCCC1 798875325 HMBZXYMQDSBOBI-UHFFFAOYSA-N 251.370 3.830 30 20 CHED Clc1cncnc1NN=CCC1CCCCCC1 799113885 XUMVYPPISXYSGD-UHFFFAOYSA-N 266.776 3.888 30 20 CHED Fc1cc(NN=C2CCC[C@H](c3cccnc3)C2)ccn1 799884204 HRYXKGMSYMMWKC-LBPRGKRZSA-N 284.338 3.741 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)c2ccsc2)c1 800790460 LPOBVQNQTRFYPR-SOOGHKCXSA-N 261.346 3.642 30 20 CHED c1cc(NN=C2CCC[C@H]3C[C@@H]23)c2cccnc2c1 800810113 GHSVNIXIZJNHDN-WCQYABFASA-N 251.333 3.823 30 20 CHED C=CCN(Cc1ccc(Cl)nc1Cl)C(C)C 801510893 JBNYCRVNRZXYSD-UHFFFAOYSA-N 259.180 3.785 30 20 CHED C=CCCCCCCNC(=O)NCC[C@@H]1CCO[C@H](C)C1 805277432 BSHUWPXUQQIJCK-HZPDHXFCSA-N 296.455 3.627 30 20 CHED C=CCCCCCCCCNC1CCC(O)CC1 806176418 LLTUBBRGPSVXHE-UHFFFAOYSA-N 253.430 3.796 30 20 CHED CC[C@H]1CCC1=NNc1nc(C(F)(F)F)cs1 807977368 KQJQFXJEXHBNKU-LURJTMIESA-N 263.288 3.750 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccc(C#N)s1 807990862 CZNURYUDXGFBSK-UHFFFAOYSA-N 297.387 3.513 30 20 CHED Fc1ccc(-c2ccc(C=NN[C@H]3CCSC3)o2)cc1 808004448 POZVZCNFGSFNHZ-ZDUSSCGKSA-N 290.363 3.515 30 20 CHED C#Cc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1 809546127 XGCBQRGBFKNBLY-UHFFFAOYSA-N 288.394 3.950 30 20 CHED C#C[C@@H](NCc1nc2ccc(F)cc2s1)C(C)(C)C 809781868 CFJPXRPRYMZJBP-CYBMUJFWSA-N 276.380 3.573 30 20 CHED C=CCCCCOC(=O)c1coc(-c2ccccc2)n1 811009171 RZDXZIBCXURZFQ-UHFFFAOYSA-N 271.316 3.855 30 20 CHED CCCC[C@@H]1CCCC1=NNC[C@H]1CCSC1 811661103 DWDHWAXDWISUPY-CHWSQXEVSA-N 254.443 3.675 30 20 CHED Cl/C=C/CON=C1CCC[C@H](c2cccnc2)C1 811672066 PCAMBFNUFKRBRT-LVHKGULTSA-N 264.756 3.864 30 20 CHED COc1cccc(O)c1C=Nc1ccccc1SC 812390358 DQCKJXLHRPSEKT-UHFFFAOYSA-N 273.357 3.873 30 20 CHED CCON=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 812457488 MTFAGLBETWQEPI-UHFFFAOYSA-N 276.317 3.694 30 20 CHED c1ccc2nc(NN=C3CC[C@H]3C3CC3)ccc2c1 814697622 VYUOZXQKEAKPSR-ZDUSSCGKSA-N 251.333 3.823 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CC[C@@H]1C1CCC1 814824342 SIXNYIMWNULYPU-CYBMUJFWSA-N 273.336 3.881 30 20 CHED Fc1cc(NN=Cc2ncc(Cl)s2)cc(F)c1F 814864260 WZCGXASGYLSWOT-UHFFFAOYSA-N 291.685 3.660 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1c(F)cccc1Cl 814904998 JTGYXIXAHCAWQM-UHFFFAOYSA-N 298.745 3.912 30 20 CHED COCCN(C)N=C1CCCC[C@@H]1C1=CCCCC1 814926431 RNIFXOJKKYIDHH-OAHLLOKOSA-N 264.413 3.611 30 20 CHED C=CCC(F)(F)C(=O)N(C1CCC(C)CC1)C1CC1 815134782 IRZHYKIHJDWXBM-UHFFFAOYSA-N 271.351 3.768 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(C(F)(F)F)cc1 815313456 HSHJMHAGQUVVDJ-UHFFFAOYSA-N 294.219 3.960 30 20 CHED CCc1ccc(C#CC(=O)Nc2cccc(F)c2C)cc1 815737330 GPAQPOJJYRGHEP-UHFFFAOYSA-N 281.330 3.687 30 20 CHED C[C@H](CCNC[C@@H](O)c1ccc(C#N)cc1)CC(C)(C)C 819254996 VWFRELBPUBURDX-RHSMWYFYSA-N 288.435 3.644 30 20 CHED COc1cc(C(=O)/C=C\c2ccccc2C(F)(F)F)on1 821023155 YGSBDRSGAIMPSO-SREVYHEPSA-N 297.232 3.598 30 20 CHED C#C[C@H](CC)NC(=O)N1CCCC2(CCCCC2)CC1 821567045 CXOSRSBGUYJRBR-OAHLLOKOSA-N 276.424 3.544 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)C#Cc2cccs2)c1 825378535 CHIVWRCBWWOAJU-KRWDZBQOSA-N 295.407 3.772 30 20 CHED CC(C)C#CC(=O)N(C)[C@H](c1ccccc1)C(C)C 827445886 HAALAMGCBWCAHR-KRWDZBQOSA-N 257.377 3.502 30 20 CHED CC[C@H](C)[C@@H](C=NNc1ccccc1Cl)OC 834917117 YROHKCJLQQAXSF-GXFFZTMASA-N 254.761 3.799 30 20 CHED CC[C@H](C)[C@H](C=NNc1ncc(Cl)cc1Cl)OC 834925874 FXXPCJJSSDXJEW-KWQFWETISA-N 290.194 3.847 30 20 CHED Fc1cc2nc(NN=C3CCCC34CCC4)[nH]c2cc1F 834939125 QZGOGQLDZOZFHV-UHFFFAOYSA-N 290.317 3.963 30 20 CHED C[C@@H](NN=C1CCC(C)(C#N)CC1)c1ccccc1 834943600 CVCFKXBBFNRTQE-JBZHPUCOSA-N 255.365 3.797 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCCC23CCC3)o1 834949686 JQJRDIAZMBRRLB-UHFFFAOYSA-N 272.352 3.792 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ncc(F)cc2F)o1 835022466 KPMBXMIYRUYMCP-LDYMZIIASA-N 277.274 3.522 30 20 CHED CCC[C@H](C)C(CC)=NNc1ncc(F)cc1F 835022569 NJRMPASWAPIVIT-VIFPVBQESA-N 255.312 3.974 30 20 CHED CCCC(CC)=NNc1cccc(Br)n1 835023283 DKTCXLJYMHNALT-UHFFFAOYSA-N 270.174 3.822 30 20 CHED N#Cc1ccc(COC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c(Cl)c1 835334555 FYEZVMUHJNCECG-OBJOEFQTSA-N 289.762 3.691 30 20 CHED C#C[C@H](CC)NC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 836424929 QLLRPJLLOGNPFW-IAGOWNOFSA-N 296.414 3.725 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(-c2nccs2)c1 837352609 HUHYDACMGNGJGA-UHFFFAOYSA-N 284.384 3.798 30 20 CHED CC#CCCCC(=O)O[C@@H](CC)c1ccnc(Cl)c1 838914397 FVHIIIVKJWKKPP-ZDUSSCGKSA-N 279.767 3.923 30 20 CHED C#CCC[C@H](C)OC(=O)Cc1nc(-c2ccccc2)oc1C 839035567 YPDJTXXDRBMIGF-ZDUSSCGKSA-N 297.354 3.538 30 20 CHED C=COc1ccc(NC(=O)NCC(C)(C)C=C)cc1 839155616 DKPOYVFDJOQRNQ-UHFFFAOYSA-N 260.337 3.543 30 20 CHED CN(Cn1ccc(=S)c2ccccc21)CC(C)(C)C#N 840078293 PRKRVHQGYXSBJJ-UHFFFAOYSA-N 285.416 3.810 30 20 CHED Clc1cccc([C@@H]2CCC(=NNc3cncnc3)C2)c1 841637053 PRBFAGCOPMVOPQ-GFCCVEGCSA-N 286.766 3.866 30 20 CHED Cc1nc(C(C)C)ccc1CON=C1CCCOCC1 842037897 BYERETZMOPGUTL-UHFFFAOYSA-N 276.380 3.587 30 20 CHED CO[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 842316655 VKLTYRWHIUBQLZ-DGCLKSJQSA-N 294.420 3.504 30 20 CHED C#C[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1 843643372 RGJWITUAPRPKSJ-SFHVURJKSA-N 289.378 3.500 30 20 CHED C#C[C@H](NC(=O)CCCc1sccc1C)c1ccccc1 843643628 TXAHSYMPQRUYHI-INIZCTEOSA-N 297.423 3.870 30 20 CHED CCCC[C@@](C)(F)C(=O)OCC1(C#N)CCCC1 850932130 AAGQVQIBIORCFF-CYBMUJFWSA-N 255.333 3.532 30 20 CHED C#C[C@](C)(CC)NCc1csc(-c2ccccc2F)n1 852099841 QLTBRZRYDPNSTN-MRXNPFEDSA-N 288.391 3.841 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCC=C(Cl)Cl 853783486 DTHONJXJLVZBRI-JTQLQIEISA-N 296.263 3.852 30 20 CHED CCC(CC)NN=Cc1ccsc1C(F)(F)F 863094117 DMIUAWXNTKRUDH-UHFFFAOYSA-N 264.316 3.879 30 20 CHED COc1ccc(NCc2ccc(Cl)cc2C#N)c(F)c1 864033146 OKBDYBIRBQIRII-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#CC1(CNc2ccc([N+](=O)[O-])cc2C(F)F)CCC1 865881722 DSMFHDJNQMHKRV-UHFFFAOYSA-N 281.262 3.638 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 876167280 OTIJLJFQAMJAAG-WDEREUQCSA-N 278.783 3.857 30 20 CHED C=CCN(CC=C)[C@H](C)C(=O)Nc1c(C)cccc1Cl 877957630 DEVAFHUJPKVFPA-CYBMUJFWSA-N 292.810 3.649 30 20 CHED C=CC(C)(C)CC(=O)NC(C)(C)c1nc2ccccc2n1C 880263785 TYNIFBVNALHSQY-UHFFFAOYSA-N 299.418 3.527 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 890453431 KRUBINCAPNWAAX-CQSZACIVSA-N 297.402 3.637 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2ncc(C#N)s2)s1 896484350 FGWAPCFTUGMZIX-UHFFFAOYSA-N 291.401 3.626 30 20 CHED CC(C)(C)Oc1cccc(NCc2ccc(C#N)o2)c1 897755173 XDXANJQNWMJGTN-UHFFFAOYSA-N 270.332 3.941 30 20 CHED CC1(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 901264336 AQJZYOLNIOJCFJ-UHFFFAOYSA-N 274.389 3.627 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2cc3n(n2)CCC3)cc1 901560376 DWHFDIQFFKHSDO-JXMROGBWSA-N 296.370 3.513 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)c1ncc(C(=O)O)s1 901913607 ZVFUCBBGPUYJRT-GHMZBOCLSA-N 282.409 3.627 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)CCCc1ccccc1 908644945 QKLSJPMMYOBAHJ-QGZVFWFLSA-N 299.414 3.536 30 20 CHED C=C[C@H](CC)CC(=O)OCc1nc([C@@H](C)SCC)no1 909526453 XYEYTQLZRLMRDN-GHMZBOCLSA-N 298.408 3.529 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2nc(CC)cs2)CCC1 910734394 UKZAGXUIKAUBBT-NSHDSACASA-N 278.421 3.629 30 20 CHED Cc1cc(C)c(NN=Cc2cccc([N+](=O)[O-])c2)c(C)c1 916339913 YXHQFMPMFVZTDP-UHFFFAOYSA-N 283.331 3.966 30 20 CHED COc1cc2c(cc1C=NNc1ccc(C)cc1)O[C@H](C)C2 916539762 HGMKEJQUSGGMIE-CYBMUJFWSA-N 296.370 3.773 30 20 CHED C[C@@H](CCC#N)Sc1nc2ccc(F)cc2o1 919854485 ZTYBYEGSBNZNRU-QMMMGPOBSA-N 250.298 3.751 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H]1CCCN(c2ccccc2)C1 926322963 USIDNQPHGWAPMR-DLBZAZTESA-N 299.462 3.821 30 20 CHED C#CCN(C(=O)Nc1cccc(SC(F)F)c1)C(C)C 930160080 WXWASKJYEDRVLH-UHFFFAOYSA-N 298.358 3.877 30 20 CHED C[C@H]1CN(C(=O)Nc2sccc2C#N)CC(C)(C)C1 931836851 BQVCJTGPQVPPJY-SNVBAGLBSA-N 277.393 3.520 30 20 CHED N#CCc1cccc(N2CCC[C@@H]2c2cccc(F)c2)n1 1116662478 YLPGRHYJYAFQCS-MRXNPFEDSA-N 281.334 3.628 30 20 CHED N#CC1(CCCCOC(=O)c2ncc(Cl)s2)CCC1 1120417401 KSLXCLFZQPTOAG-UHFFFAOYSA-N 298.795 3.817 30 20 CHED C=C(CC(C)C)C(=O)N1CCC(c2ncc(C)s2)CC1 1123852910 WCGDRVSBIRHPFM-UHFFFAOYSA-N 292.448 3.760 30 20 CHED Cc1ccc2occ(CC(=O)Nc3ccccc3C#N)c2c1 1124195511 ZNYMPDDCLFOIRX-UHFFFAOYSA-N 290.322 3.794 30 20 CHED CC(C)C[C@@]1(C)CCCN1CCOc1ccccc1C#N 1194533652 GFOJMOQFAPRKEA-GOSISDBHSA-N 286.419 3.838 30 20 CHED CC(C)(CNC(=O)Nc1ccc(C#N)c(F)c1)C1CCC1 1219030856 OUZUEMNGULJLHW-UHFFFAOYSA-N 289.354 3.645 30 20 CHED CSc1ccc(C(=O)/C=C\c2cccnc2N(C)C)cc1 1258512123 DIPMYAWTKZZMAV-FLIBITNWSA-N 298.411 3.766 30 20 CHED CS[C@H](C)CC(=O)N(c1cccc(C#N)c1)C1CCC1 1262101049 LTVIQYFQLWXDGO-GFCCVEGCSA-N 288.416 3.585 30 20 CHED CC1CCC(N(C[C@H](O)c2cccc(C#N)c2)C2CC2)CC1 1307419147 TVMFRBUVSIXVAI-YVNUBYTISA-N 298.430 3.635 30 20 CHED CCCCCCCC(=O)OCC(=O)c1cccs1 1317952776 WIJANDCACGIWOQ-UHFFFAOYSA-N 268.378 3.835 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(OCC#N)cc1)C(C)C 1319698583 PXTGNTPWAPTJLA-OAHLLOKOSA-N 274.364 3.600 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1322569781 GOWCFCFPQISVEO-KFWWJZLASA-N 264.413 3.563 30 20 CHED COc1ccc(C=NNc2ccc(C(C)(C)C)nn2)cc1C 1322976684 WUIKEBJPIGLHLZ-UHFFFAOYSA-N 298.390 3.537 30 20 CHED C=CCCO[C@H](C)c1nnc(COc2cccc(C)c2)o1 1323865552 AIDXHKRNPPLVJC-CYBMUJFWSA-N 288.347 3.611 30 20 CHED CC(=NNCc1ccc(C)cc1)c1c(C)nc2sccn12 1325319133 LVNKOWYZHLMRTI-UHFFFAOYSA-N 298.415 3.526 30 20 CHED C[C@@H](NC(=O)c1csc(C#N)c1)C(C)(C)c1ccccc1 1326418454 RVRJGOGQDRYURZ-GFCCVEGCSA-N 298.411 3.716 30 20 CHED Cc1ccc(C)c(-c2nnc(-c3ccc(C#N)cc3)o2)c1 1328348084 NODSZWLURKZOCP-UHFFFAOYSA-N 275.311 3.892 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)cc2O)ccc1F 1341109968 DJCNKCRJVWKZNL-VMPITWQZSA-N 286.302 3.744 30 20 CHED C=CC(C)(C)CNC(=O)C(F)(F)c1ccccc1OCC 1344415033 PZEHIPGYPYFTQI-UHFFFAOYSA-N 297.345 3.506 30 20 CHED CCCCCCCCc1nnc(Cc2cccnc2)o1 1345952890 VAUOWKBDCXHWGP-UHFFFAOYSA-N 273.380 3.958 30 20 CHED Cn1c(Cl)cnc1[C@H](C#N)C(=O)C1CCCCCCC1 1346096127 MOMMQDVYWOIJSZ-GFCCVEGCSA-N 293.798 3.610 30 20 CHED CSc1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1 1348068822 PVPXMCGOGQSMEE-UHFFFAOYSA-N 296.395 3.851 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)C[C@H](C)c1c[nH]c2ccccc12 1349906921 NJFGETSAQGXPJI-KBPBESRZSA-N 297.402 3.812 30 20 CHED Cc1nc(C(=O)OCCCC2CCCCC2)ccc1C#N 1352982754 SRBSUFNAJSHGNC-UHFFFAOYSA-N 286.375 3.779 30 20 CHED C=C1CCC(C(=O)NC[C@@H](CC)CC(F)(F)F)CC1 1353464068 GDKIKYAETUCXSP-NSHDSACASA-N 277.330 3.828 30 20 CHED C=CCC[C@@H](OC(=O)c1nncc2ccccc12)C1CC1 1358096523 HMPJHSNPZRCMPV-OAHLLOKOSA-N 282.343 3.531 30 20 CHED CCCCN(C)c1c(C#N)cnc2c(Cl)cccc12 1472642197 QRYBPVLRQFQGRN-UHFFFAOYSA-N 273.767 3.996 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N(C)[C@H](C)C1CC1 1515739669 JZDGBUQFYMSYPM-NEPJUHHUSA-N 294.468 3.513 30 20 CHED C=C(C)CCC(=O)O[C@@H]1CCCc2nc(C)sc21 1516625071 PEPDTOXGYYLAGT-GFCCVEGCSA-N 265.378 3.728 30 20 CHED Cc1scc(C(=O)Nc2nc(Cl)c(C#N)s2)c1C 1525675911 IOBOETXQWBTBDH-UHFFFAOYSA-N 297.792 3.599 30 20 CHED C=C(CC(C)C)C(=O)N1CCC(c2ccc(C)nc2)CC1 1528093964 CDMCSVPKAYNXAK-UHFFFAOYSA-N 286.419 3.698 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc(C#N)ccc1F 1529531458 SYYGHGPGBXCBGZ-TZMCWYRMSA-N 288.366 3.644 30 20 CHED COc1ccc(NC(=O)c2coc3ccccc23)cc1C#N 1535536779 MRMLFTXSVRLCNN-UHFFFAOYSA-N 292.294 3.565 30 20 CHED Cc1cc(C#N)cc(NC(=O)C(C)(C)Oc2ccccc2)c1 1535892874 HBOHQDKMTLZXIO-UHFFFAOYSA-N 294.354 3.663 30 20 CHED C=C[C@H](C(=O)N1CCCC[C@@H]1C(F)F)c1ccccc1 1548700943 HVTGRPZRYNJIOH-UONOGXRCSA-N 279.330 3.602 30 20 CHED CCC(=O)c1ccc(OCCc2ccc(C#N)cc2)cc1 1559328049 KEBAQOZFDIAMCS-UHFFFAOYSA-N 279.339 3.772 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1cc(C)cc(C#N)c1 1584930227 MQALVSLFHZHEJI-UHFFFAOYSA-N 282.318 3.821 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2C[C@H]2c2ccccc2Cl)n1 1612619093 RHPRSFWXHFMWEI-GXTWGEPZSA-N 298.777 3.532 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2c3cccc(F)c3CC[C@H]2C)n1 1642359834 WXJDLVDWWOIGPA-QGHHPUGFSA-N 296.349 3.531 30 20 CHED N#Cc1cnc(Sc2ncc(-c3ccccc3)o2)c(F)c1 1650703184 LYOAUYNXAWIOLA-UHFFFAOYSA-N 297.314 3.899 30 20 CHED N#Cc1cc(F)cc(NCC2Cc3ccccc3C2)c1 1652960189 SJSBQEZEGAQDNZ-UHFFFAOYSA-N 266.319 3.524 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)CCc1ccc(C#N)cc1 1654152917 XTRGYYPIYVSCNX-RHSMWYFYSA-N 256.393 3.611 30 20 CHED Cc1cc(N[C@H]2CCC(C)(C)C[C@H]2C)ncc1C#N 1655219712 NIYFNMZEYFEQEE-OCCSQVGLSA-N 257.381 3.888 30 20 CHED C=C(CNC(=O)N[C@]1(C)CCCC[C@@H]1C)c1ccccc1 1686696619 KQWIREYPGSTTFM-MAUKXSAKSA-N 286.419 3.968 30 20 CHED C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(CC)CCC 1749270520 BTPSIPILRBAGDR-UHFFFAOYSA-N 298.862 3.856 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cc(C(=O)O)co2)cc1 1776112576 AWGKFWMHPZLTFE-HJWRWDBZSA-N 284.311 3.826 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1c(C)noc1C 1776782963 APBMZQLTXRJIKQ-AWEZNQCLSA-N 296.411 3.585 30 20 CHED C[C@H](NCCSCc1ccccc1C#N)c1ccccn1 179465395 GCLCVUJLEJFYEO-AWEZNQCLSA-N 297.427 3.537 30 20 CHED N#CCCCCNC(=O)N[C@@H](c1ccccc1)C1CCC1 171595544 ORUCUNKEDGAGSC-INIZCTEOSA-N 285.391 3.521 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cc2c(ccc3ccccc32)[nH]1 103443732 AIHVWSHEABJPJF-GFCCVEGCSA-N 291.354 3.695 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](C)CCSCC)cc1 173280802 JCRHWFLQKVSDHN-CYBMUJFWSA-N 293.432 3.513 30 20 CHED Cc1ccc(C#N)cc1NCc1cccc([N+](=O)[O-])c1C 50430261 GANIMLGITCDERL-UHFFFAOYSA-N 281.315 3.695 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C)s1 106421847 FKZAZYBNQGRKFB-UHFFFAOYSA-N 264.394 3.649 30 20 CHED CCCCc1noc(CSCc2cccc(C#N)c2)n1 105629986 NGHZSOMEAOZMDC-UHFFFAOYSA-N 287.388 3.717 30 20 CHED C=CCCCC(=O)N1CCc2ccc(Cl)cc2C1 179310084 RRAOHPBVJKIUKK-UHFFFAOYSA-N 263.768 3.581 30 20 CHED CC(C)C[C@H]1OCCC[C@H]1Nc1ccc(F)cc1C#N 302407761 HUBPYJDULHMNRD-HZPDHXFCSA-N 276.355 3.703 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)c1ccc(C#N)nc1 301548947 XSQFCAOYLSRMGA-LBPRGKRZSA-N 277.327 3.897 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1cc(F)c(F)c(F)c1 170992735 FHRNUFIDJJYBOV-SNVBAGLBSA-N 290.288 3.826 30 20 CHED CCCOc1ccc(CNc2ccc(C#N)nc2)c(C)c1 302626670 BAVIUMSAMQGULL-UHFFFAOYSA-N 281.359 3.663 30 20 CHED Cc1cc(F)cc2c1N(C(=O)c1ccc(C#N)cc1)CCC2 66786086 ZBLKIUJILHQTQO-UHFFFAOYSA-N 294.329 3.599 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(Cl)s1 178381835 YVUNYZULCDZCIP-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CN(C)c1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1 114992347 GDGIBZUZAWXMRT-NTEUORMPSA-N 281.330 3.714 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1C)CO2 22958112 BEAXFJLUCKOKGI-NTEUORMPSA-N 280.323 3.662 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H]1CC1CCCCC1 174094735 RZJCHRSJYIZLMG-MRXNPFEDSA-N 276.424 3.544 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 116972755 IVDDWRZOEBEBHF-LZWOXQAQSA-N 272.392 3.539 30 20 CHED O=C(/C=C/c1cncs1)c1cc2ccccc2o1 129896194 HEJXSDOPUFKJAF-AATRIKPKSA-N 255.298 3.785 30 20 CHED Cc1ncc(CSCc2ccccc2C#N)s1 68952513 NHWXPRZFZCRFCA-UHFFFAOYSA-N 260.387 3.757 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CC#N)c1ccccc1 178682419 AVLCNVPWJYHILF-HUUCEWRRSA-N 296.395 3.717 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 301363910 NEYXPHRKTYVHCH-ZYHUDNBSSA-N 298.308 3.581 30 20 CHED CCc1ccc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)cc1 121435492 OAWAOQYCNFKCIN-LIRRHRJNSA-N 294.398 3.505 30 20 CHED COc1ccc(CC(C)(C)NCc2cccc(C#N)c2)cc1 189451362 OMNQMBDYWMVLOJ-UHFFFAOYSA-N 294.398 3.678 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 120101754 PHSKETJBUJHTEZ-MAUKXSAKSA-N 296.414 3.935 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)CCC1CCCCC1 508814571 UTUOBYCESUHQEO-UHFFFAOYSA-N 288.439 3.748 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cnc(C(C)C)s1 187522583 HWUWHPVQGBRWGG-UHFFFAOYSA-N 293.436 3.811 30 20 CHED C#CCNC(=O)[C@H](C)S[C@@H](C)c1ccc2ccccc2c1 122245950 FYAAOYIOBUQSAZ-KBPBESRZSA-N 297.423 3.772 30 20 CHED C=CCCC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 129835121 CWYJDAFKCWQDJI-UHFFFAOYSA-N 270.332 3.863 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)cc2F)[C@@H]1C#N 444732007 PKCOIGCRHIRGHQ-CQSZACIVSA-N 280.774 3.993 30 20 CHED CCCCCC(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 121052184 VWZGUWUSBKFFBX-CQSZACIVSA-N 296.370 3.948 30 20 CHED Cc1ccc(/C=C\c2nc(S[C@@H](C)CCC#N)n[nH]2)o1 412985745 GGPVZNBDTYZNLD-TVRMLOFPSA-N 288.376 3.661 30 20 CHED CC[C@@H](C)CSCC(=O)N(CCC#N)c1ccccc1 124430346 WCYTYADVSLKYPY-CQSZACIVSA-N 290.432 3.713 30 20 CHED Cc1c(C#N)cccc1C(=O)NC1(c2ccccc2)CCC1 509122558 KGJDTSKVTWTUCP-UHFFFAOYSA-N 290.366 3.676 30 20 CHED C=C(C)CN(C)Cc1nc2cc(C(F)(F)F)ccc2o1 181324030 OMIXAKCZWQRMBN-UHFFFAOYSA-N 284.281 3.855 30 20 CHED C=CCOc1ccc(CN[C@@H]2COCc3ccccc32)cc1 418104735 YOMKLMGSRJWZES-LJQANCHMSA-N 295.382 3.613 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C(C)(C)c1cccc(Cl)c1 76566942 BDRFZDWBCSBBGH-GFCCVEGCSA-N 292.810 3.626 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1C(C)C 120234387 ZYXJCQLJVMGGNE-INIZCTEOSA-N 285.391 3.909 30 20 CHED N#Cc1ccc(N2CC[C@H](c3ccccc3F)C2)c(F)c1 501246497 PVIGCAAGCJMSMZ-ZDUSSCGKSA-N 284.309 3.830 30 20 CHED Cc1cc(NC(=O)CCCC#N)cc(F)c1Br 414032890 DAUVBGWDJDMVRS-UHFFFAOYSA-N 299.143 3.529 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC=CCC1 77642542 YKGYAUBBEBVMTG-HNNXBMFYSA-N 288.366 3.632 30 20 CHED C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 77499929 ZQJPDYCHAJQARW-NSHDSACASA-N 283.306 3.580 30 20 CHED COC(=O)c1cccc(CSCCCC#N)c1Cl 419527848 VXPLPMMMZLRWLL-UHFFFAOYSA-N 283.780 3.664 30 20 CHED CC(C)[C@H](C)N(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419610579 ANQIELLWLMSRDU-GUYCJALGSA-N 299.418 3.622 30 20 CHED Cc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1[N+](=O)[O-] 79720656 HNLGEXVMIZINRW-CYBMUJFWSA-N 295.342 3.626 30 20 CHED CCOc1ccc(O)c(/C=N/CC[C@@H](OCC)C(C)C)c1 74797257 IKLOTQIHMNONFT-YPOUMIDOSA-N 293.407 3.661 30 20 CHED CCOc1ccc(CNc2ccccc2C#N)cc1OCC 414312184 WIHQFXDVFKCHSI-UHFFFAOYSA-N 296.370 3.968 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)c2cnc3cnccc3c2)[C@H](C)C1 328768268 FYGCOFVZTVHPTH-JMSVASOKSA-N 283.375 3.759 30 20 CHED CCN(Cc1ccc(F)cc1Br)C[C@H](C)C#N 42323750 MVIQQWLWBNOVAM-SNVBAGLBSA-N 299.187 3.570 30 20 CHED Cc1nc(Cl)ccc1NCC(C)(C)CCC#N 193481219 GKIZUSIVZWOHFL-UHFFFAOYSA-N 251.761 3.785 30 20 CHED COc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)s1 130943767 SMLQPKUMSQQJBD-INIZCTEOSA-N 298.411 3.965 30 20 CHED C[C@H](/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C)C1CC1 329270297 ITUMNHBWTSYWQF-UFGOTCBOSA-N 266.385 3.523 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3ccccn23)cc1 133154739 QQMJRMZVXDGPMW-MDZDMXLPSA-N 262.312 3.539 30 20 CHED OC1=NCCc2ccc(C/N=C(/O)C3CCCCC3)cc21 329655750 FXPKPOZTSCBYRE-UHFFFAOYSA-N 286.375 3.584 30 20 CHED CN(CC#Cc1ccc(Cl)cc1)Cc1cccs1 426386010 UFBLTFSNXQENDS-UHFFFAOYSA-N 275.804 3.885 30 20 CHED Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1F 43280763 CBKGYHWEFABVKU-LBPRGKRZSA-N 297.333 3.889 30 20 CHED Cc1cccc(C)c1NC(=O)N(C)Cc1ccc(C#N)cc1 43357919 YJTRNJZMWTUUIG-UHFFFAOYSA-N 293.370 3.839 30 20 CHED C#CCCCC(=O)Nc1ccc2[nH]c(CCCC)nc2c1 192228174 PKKGGEWOMSKUTJ-UHFFFAOYSA-N 283.375 3.648 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 80592260 JWLJQTFUIGIVII-LEWSCRJBSA-N 278.783 3.522 30 20 CHED N#C[C@H](C(=O)c1cc(F)cc(F)c1)c1nc2ccccc2o1 41547756 HXLWZBCFRKLLCP-GFCCVEGCSA-N 298.248 3.596 30 20 CHED N#Cc1cccc(Oc2ccc(Br)cc2F)n1 81621008 PBAGJSZSHOXNRA-UHFFFAOYSA-N 293.095 3.647 30 20 CHED Cn1cc(CN(C2CC2)[C@H]2CCc3ccccc32)cc1C#N 191264623 ZXDDIIFOWIMKJN-IBGZPJMESA-N 291.398 3.549 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)c2ccsc2)n1 80457781 NLSWURHKDSSBRI-JTQLQIEISA-N 276.386 3.818 30 20 CHED N#Cc1cc(Cl)ccc1CSCCOCC(F)F 190083535 VNZCOTUJBFLVJN-UHFFFAOYSA-N 291.750 3.727 30 20 CHED CN(CCCC#N)C1c2ccccc2-c2ccccc21 81596527 CGTMWNQWZKUZKJ-UHFFFAOYSA-N 262.356 3.992 30 20 CHED C=C(C)CNC(=O)Nc1cccc(O[C@@H](C)CC)c1 429375085 XHRMHQGMJADGQH-LBPRGKRZSA-N 262.353 3.562 30 20 CHED C[C@H](CC#N)NC(=O)c1ccc(Oc2ccccc2)cc1 194719058 AZNWTFMRKZSOKM-CYBMUJFWSA-N 280.327 3.511 30 20 CHED CC(C)COc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 192728480 IMBMXCQKGUUJBM-WBVHZDCISA-N 286.419 3.893 30 20 CHED CC(C)CC[C@@H]1CCCCN1C(=O)NCC(C)(C)C#N 512907206 NRBGLDGYMUJNDA-AWEZNQCLSA-N 279.428 3.536 30 20 CHED CCC(=O)c1ccc(Oc2ncc(C#N)cc2Cl)cc1 513644502 CCLGZRNBBANIMR-UHFFFAOYSA-N 286.718 3.992 30 20 CHED CC[C@@H]1CN(C(=O)C2(C#N)CCC2)CC[C@@H]1c1ccccc1 80450779 ZJLYFBPAGIFFKA-WBVHZDCISA-N 296.414 3.723 30 20 CHED C=CCn1c(Nc2ccc(C)cc2)nnc1[C@@H]1CC[C@H](C)O1 515208163 QTNMYIIOWAGWQO-ZFWWWQNUSA-N 298.390 3.756 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 84708799 XNRSYVSHRWUOFG-JHJVBQTASA-N 298.169 3.942 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cn(CCCCC)nc1C 424762802 LEZTUAXXNDUZFP-UHFFFAOYSA-N 291.439 3.600 30 20 CHED Cc1nc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)s1 334276346 CQCBTYALIZIOKR-INIZCTEOSA-N 297.427 3.799 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccccc1C#N 194586462 UOVLABDWITZHAJ-VOTSOKGWSA-N 253.326 3.824 30 20 CHED N#Cc1csc(CN[C@H]2C[C@H]2C2CCCCC2)c1 530640590 XFQYTIUOLCHMPO-GJZGRUSLSA-N 260.406 3.678 30 20 CHED C=CCC1(C(=O)NCCCOc2ccccc2C)CCC1 191286215 JNSGENQTOARXCZ-UHFFFAOYSA-N 287.403 3.627 30 20 CHED Cc1c(NCc2cc(C#N)n(C)c2)cccc1C(F)(F)F 191383513 APCQNTJGAOEUGI-UHFFFAOYSA-N 293.292 3.836 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2cccc(OC)c2)no1 424331312 AEOQFQRZROJLNP-UHFFFAOYSA-N 272.348 3.523 30 20 CHED C=C1CCN(Cc2c(Cl)cccc2OC)CC1 338310825 CLQPOLCOWFWDDW-UHFFFAOYSA-N 251.757 3.501 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(Br)cc1 190886167 QCXPMRRWIWQFFK-AWEZNQCLSA-N 296.208 3.668 30 20 CHED CC(C)(C)c1cc(/C(O)=N/CC2CCCCC2)no1 330887070 SKJJBNMDOLYABV-UHFFFAOYSA-N 264.369 3.857 30 20 CHED Cc1c(Cl)cccc1C(=O)[C@H](C#N)c1ccccn1 195206771 OXRRUQUPCIUPEG-GFCCVEGCSA-N 270.719 3.534 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 426023871 QDOHRRWNMOWGCH-ZDUSSCGKSA-N 294.354 3.988 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@H](C)CC1 515488516 YFYTVGQNXFEFOP-RZDIXWSQSA-N 296.414 3.899 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1OC 92504512 BCBKSWMYIFHOLU-UHFFFAOYSA-N 292.382 3.755 30 20 CHED CCc1cccc(CC)c1N/C(O)=N/[C@@H]1CCC[C@@H]1C#N 330770434 NQSAPVYLXDPPIG-HUUCEWRRSA-N 285.391 3.830 30 20 CHED N#Cc1cccc(CN2CC[C@H](c3ccccc3F)C2)c1F 339379616 REWIIQOIEJPSAY-AWEZNQCLSA-N 298.336 3.826 30 20 CHED C=CC1CCN(C(=O)NCC(C)(C)C2CCCC2)CC1 510304482 LBNNODXGQUKUEO-UHFFFAOYSA-N 278.440 3.810 30 20 CHED N#Cc1c(F)cccc1Oc1ncnc2ccc(F)cc12 92688652 CZOWPAGVDQPFHK-UHFFFAOYSA-N 283.237 3.572 30 20 CHED CC(C)[C@@H]1N(Cc2ccc(C#N)s2)CC12CCC2 430086259 CUXXNSFFMBTVJO-AWEZNQCLSA-N 260.406 3.630 30 20 CHED N#C[C@H]1CC[C@H](Sc2n[nH]c(CCC3CCCC3)n2)C1 430101457 WUFJGFWIJFFBIO-STQMWFEESA-N 290.436 3.712 30 20 CHED N#CC1(CNC(=O)N2CCCC[C@H]2c2ccccc2)CCC1 333866753 AXZDLEDWFIMOSN-INIZCTEOSA-N 297.402 3.617 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(F)cc1C#N 435161574 DUHRQZZIHGGQSO-MNOVXSKESA-N 277.343 3.644 30 20 CHED C=CCOCCCN1CC[C@@H](C)C[C@H]1c1ccco1 348053872 WXRHQZXXFJADIT-CABCVRRESA-N 263.381 3.645 30 20 CHED N#Cc1cccc(C2(NC(=O)Nc3ccc(F)cc3)CC2)c1 340630038 JFQPIHNSFAWMDS-UHFFFAOYSA-N 295.317 3.508 30 20 CHED CCN(C)C(=O)c1cccc(NCC(C)(C)CCC#N)c1 342197051 BJDPIJVDFBCWSN-UHFFFAOYSA-N 287.407 3.520 30 20 CHED C=C[C@H](C)NC(=O)Nc1c(C)cc(C)cc1Br 431970802 QUMUCZLGGUFWGK-JTQLQIEISA-N 297.196 3.762 30 20 CHED C=C(C)CN(Cc1ccc(C)nc1)Cc1cnn(C(C)C)c1 348880859 WBIQPCNJZDORKC-UHFFFAOYSA-N 298.434 3.746 30 20 CHED C=CCCCCN[C@H](c1ccccc1)c1cncnc1 349311383 ITWCAUUDKDAQGJ-QGZVFWFLSA-N 267.376 3.512 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(OCCC)c1 435726498 QEMVGSCYDVAOTO-SJLPKXTDSA-N 289.419 3.546 30 20 CHED CN(CCOC1CCCCCC1)Cc1cccc(C#N)c1 525420683 NRGGMDLCXMNTMY-UHFFFAOYSA-N 286.419 3.729 30 20 CHED C=CCOCCCC(=O)N1CCC[C@@H](C)c2ccccc21 348195728 XYCJCWNMRLWUGG-OAHLLOKOSA-N 287.403 3.900 30 20 CHED CSCCON=C(C)c1nc2ccccc2n1C(F)F 255167123 MOFAPEMVARUKMV-UHFFFAOYSA-N 299.346 3.535 30 20 CHED N#Cc1ccc(CNCc2cccc(Cl)c2Cl)o1 537294393 CNVGTKKUEWRVCE-UHFFFAOYSA-N 281.142 3.748 30 20 CHED N#Cc1ccnc(NC[C@@H](c2ccccc2)C2CC2)c1 431495926 RKCDBJTWUMNAPD-INIZCTEOSA-N 263.344 3.559 30 20 CHED Fc1ccccc1C=NOCc1cc(-c2ccco2)on1 255868910 NXNRPSNDKXWUAU-UHFFFAOYSA-N 286.262 3.624 30 20 CHED Cc1cccc(CCN[C@@H](C)c2cccc(C#N)c2)c1 51669426 GVJIAURHQZHQSX-HNNXBMFYSA-N 264.372 3.760 30 20 CHED Cc1ncsc1/C=C1/CSc2c(F)cccc2C1=O 255910518 DDWBHRGIOGIXRO-UITAMQMPSA-N 291.372 3.963 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(C#N)c(F)c1 348203862 DWCBXFGVZBYMRY-LBPRGKRZSA-N 273.355 3.678 30 20 CHED COc1ccc2c(c1)CCC[C@H]2CNC[C@H](C)CCC#N 602614901 ARYCEAVIEJTCQC-ZBFHGGJFSA-N 286.419 3.645 30 20 CHED Cn1cc(/C=C\C(=O)c2ccccc2)c(-c2ccccc2)n1 255713932 LCLXWXLWGSYJCB-SEYXRHQNSA-N 288.350 3.983 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@H](C)CCC[C@H]1C 607553684 CQNLNFAYPAYEMA-HUUCEWRRSA-N 287.403 3.902 30 20 CHED C=C(CC)CSCC(=O)N[C@@H](c1ccccc1)C1CC1 447035864 ZJOCJWLCZNJHTJ-KRWDZBQOSA-N 289.444 3.953 30 20 CHED C=C(C)CSCc1ccn(-c2cccc(F)c2)n1 609238841 DUCBTHNGYQUXEG-UHFFFAOYSA-N 262.353 3.821 30 20 CHED COc1cc(CN(C)C[C@H](C)c2ccccc2)ccc1C#N 442882107 CINFVZXNNLXLMG-HNNXBMFYSA-N 294.398 3.802 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@@H](CC(C)C)c1ccccc1C 354392753 JHPNAGLTCIOFJD-FUHWJXTLSA-N 289.419 3.526 30 20 CHED C=CCCC(=O)Nc1cccc(Oc2ccncc2)c1 351598547 IWRRBXWCAJOHQE-UHFFFAOYSA-N 268.316 3.779 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1c(F)cccc1F 533311313 CHEOAVBBFKTCIY-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H](C)C1 356496520 JHGZXXLMCRZZSS-SOLBZPMBSA-N 298.430 3.969 30 20 CHED CC[C@@]1(C)CCN(Cc2cccc(OCCCC#N)c2)C1 354105938 GAUZVSWERUVIQC-SFHVURJKSA-N 286.419 3.991 30 20 CHED C=CCC1(C(=O)N[C@H](C)CCc2cccn2C)CCCC1 449949199 DYYCMOYKQWVDTH-OAHLLOKOSA-N 288.435 3.599 30 20 CHED C=CCCCCCN(C)CCC(=O)Nc1ccc(C#N)cc1 532967436 CASOLZCYJAUGLT-UHFFFAOYSA-N 299.418 3.565 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(OCCC)CCCCC1 442948025 VJYVUAWKRSEENH-INIZCTEOSA-N 281.440 3.834 30 20 CHED C=C(CC)CSCC(=O)c1cc(C)n(CCOC)c1C 358633039 HLXJDQOUDYVAFU-UHFFFAOYSA-N 295.448 3.633 30 20 CHED C[C@H](CN(CCC#N)CC1CC1)c1cc(F)cc(F)c1 449023467 QVTJJOJLPZODNK-GFCCVEGCSA-N 278.346 3.694 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCCc2nn(C)cc21 358972641 WKSZNSFMKAMFLC-ZFWWWQNUSA-N 261.413 3.522 30 20 CHED N#Cc1ccnc(SC[C@@H]2CCc3ccccc32)c1 355448591 RUMUBPCEIROPSX-AWEZNQCLSA-N 266.369 3.775 30 20 CHED Cc1cc(OCCn2ccc(C#N)c2)ccc1C(C)C 533680466 TYPXPKMRGBKZRA-UHFFFAOYSA-N 268.360 3.871 30 20 CHED CCCCc1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1 610791174 WKSBMYOJCLMCLI-UHFFFAOYSA-N 293.370 3.743 30 20 CHED C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 353317795 ZVUCOXMKDVVBMX-CRAIPNDOSA-N 292.382 3.951 30 20 CHED C=C[C@H](Nc1cc(Cl)ccc1SCC)C(=O)OC 619734969 ZUCNVODCZKVOQX-JTQLQIEISA-N 285.796 3.592 30 20 CHED Cc1ccc(-c2cnc(CN3CCC[C@@](C)(C#N)C3)o2)cc1 612164762 IKRBVVGRCYJCRQ-SFHVURJKSA-N 295.386 3.776 30 20 CHED C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@](F)(C#N)C1 615641452 SMTWGRSQPUZZCW-RNCFNFMXSA-N 287.165 3.992 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1 619433446 CCHLRXNFCVADSI-CWRNSKLLSA-N 296.414 3.654 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)c1cccc(Cl)c1 452719982 VDRZSBNTJRPQQJ-NSHDSACASA-N 251.757 3.526 30 20 CHED C=CCC1(C(=O)N(CC)Cc2ccccn2)CCCCC1 450076229 KARKLCAOSFZNQR-UHFFFAOYSA-N 286.419 3.957 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(C#N)c(F)c1 453377598 IYBIZDOCIDEQCJ-BBATYDOGSA-N 298.336 3.860 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@@H]2C(C)C)c1 454660418 AIMNYNXTYPYZKM-MRXNPFEDSA-N 288.391 3.904 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](C)c1cc(C)ccc1C 455517005 DORLJIOTSVHIMU-HNNXBMFYSA-N 274.408 3.972 30 20 CHED C=CCC1(CNC(=O)C[C@H](OCC)C(=C)C)CCCC1 456484177 IOLWTVFPCZBWHM-HNNXBMFYSA-N 279.424 3.610 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2cccc(CC#N)c2)CC[C@H]1C 456746807 IKJNYOCFZWAQHD-IPYPFGDCSA-N 270.376 3.763 30 20 CHED Cc1cccc2c(N(C)Cc3ccco3)c(C#N)cnc12 610211181 CHFUTCYQCGKUNV-UHFFFAOYSA-N 277.327 3.644 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2cccc3cccnc23)C1 617787838 YMQSJAKCIQKCLG-OAHLLOKOSA-N 294.398 3.592 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)CCCCC1 450053458 RBPWYQQFKZJGEE-JKSUJKDBSA-N 292.467 3.502 30 20 CHED Cc1cccc(CN(CC(C)C)C(=O)[C@]2(C#N)C[C@H]2C)c1 459974626 VSRLPVJWQNPPJH-QAPCUYQASA-N 284.403 3.529 30 20 CHED C=CCC[C@@H](NCc1ccc(C#N)c(F)c1)C1CC1 453382904 LXFNMPMVOCZVLB-MRXNPFEDSA-N 258.340 3.532 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cccc2ccsc12 274298488 RRAGSUWAHGGENN-OAHLLOKOSA-N 272.373 3.569 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cccc(CO)c1 363001696 POPUMAPZNILZBB-UHFFFAOYSA-N 299.395 3.709 30 20 CHED CC(C)(CC#N)CN[C@H]1CCC[C@H]1Cc1ccccc1 459735688 UBARDVNWGFMOMS-IRXDYDNUSA-N 270.420 3.927 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(OCCC)c(Cl)c1 454531337 WQYLBVWNPAKWBP-UHFFFAOYSA-N 294.782 3.616 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)CSc1ccccc1 456111235 AIEPYCDXOXLUHM-ZDUSSCGKSA-N 277.433 3.743 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](n2ncc3ccccc32)C1 368000683 MJFFRCGUTBDZGM-INIZCTEOSA-N 296.418 3.613 30 20 CHED C=CCCCC(=O)N1[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 452231859 MYIDMANTSFJCEF-TUAOUCFPSA-N 277.330 3.921 30 20 CHED C=C[C@@H](CC(=O)N1CC=C(C)CC1)c1ccccc1 270359053 IMIDWGPLCWKAQB-HNNXBMFYSA-N 255.361 3.525 30 20 CHED CC(C)(CNC(=O)Nc1cccc(CC#N)c1)C1CCC1 455901241 DOKKUJSMJKEHRG-UHFFFAOYSA-N 285.391 3.700 30 20 CHED C#CCC1(C(=O)Nc2ccc(CC#N)cc2)CCCCC1 276286201 LUQHQYBIXDFOTN-UHFFFAOYSA-N 280.371 3.665 30 20 CHED C=C(C)CCNC(=O)C[C@@H](c1ccccc1)C(C)C 452722130 IYCYFACPSJETPD-MRXNPFEDSA-N 259.393 3.899 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2ncsc2c1 620863956 JXAAHSYMFUDNHL-UHFFFAOYSA-N 274.389 3.771 30 20 CHED C=C(C)CN1CCC(NC[C@H]2CCC[C@@H](CC)C2)CC1 544111903 GYDZGDCNAAZTLE-SJORKVTESA-N 278.484 3.833 30 20 CHED C[C@H]1N(c2c(Cl)cccc2C#N)CCC12CCOCC2 374934527 VFQXITGSGYMIJT-GFCCVEGCSA-N 290.794 3.607 30 20 CHED C#CC[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 271524844 OXNWUKHRIDVWTP-YOEHRIQHSA-N 293.366 3.831 30 20 CHED C=CCCN(C)Cc1csc(-c2ccccc2F)n1 467282934 FKKIFWHMMJDIMX-UHFFFAOYSA-N 276.380 3.957 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc(Cl)c(F)c1 626850794 SGXMIGLOWVXCBR-GFCCVEGCSA-N 283.774 3.883 30 20 CHED C[C@H](C(=O)N(CC1CCC1)CC1CC1)c1cccc(C#N)c1 464496275 UUYDYURONHOYJJ-AWEZNQCLSA-N 296.414 3.700 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)N[C@@](C)(C#N)C(C)(C)C 464159117 QPSIANCIMIYUIH-GUYCJALGSA-N 294.439 3.559 30 20 CHED C=CCCC[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 375853555 QSXGTFMFFHLPBU-INIZCTEOSA-N 297.446 3.861 30 20 CHED CC[C@@H](CC(=O)NC1(c2cccc(C#N)c2)CC1)C(C)C 552817312 KDCRPGYTNKIGAH-HNNXBMFYSA-N 284.403 3.736 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc2c(c1)COC2 551242253 YZDQBESSWQQLFW-CYBMUJFWSA-N 259.393 3.970 30 20 CHED C=CCCC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1OC 286932969 LOEJZAMAGKEESZ-GOEBONIOSA-N 287.403 3.961 30 20 CHED CCN(CCC#N)C(=O)CCSc1cccc(Cl)c1 289963401 QGGHREJKIHFETR-UHFFFAOYSA-N 296.823 3.584 30 20 CHED C[C@H](CCOc1ccc(C#N)cc1)OCc1ccccc1 473666933 MAXPSMOXWCKRRR-OAHLLOKOSA-N 281.355 3.932 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C)c(O)c2)n1 556361056 DHQTYTAXQKURKE-UHFFFAOYSA-N 258.321 3.604 30 20 CHED C=CCCCCCCNC(=O)NC[C@@H]1CC1(Cl)Cl 804942245 NHXVVOUOOROREO-NSHDSACASA-N 293.238 3.616 30 20 CHED CC(=NNCC1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 808005977 MCQRDWUILMCIGD-LJQANCHMSA-N 299.462 3.664 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccc(Br)cc1F 298467475 IKVSHKPYEGKYNH-ZJUUUORDSA-N 299.187 3.931 30 20 CHED C=CCCCCNC(=O)[C@H](C)c1ccc(Cl)s1 471708462 FAHNSCFWHLQSMQ-SNVBAGLBSA-N 271.813 3.978 30 20 CHED N#Cc1ccnc(N2CCCC3(CCCCCC3)C2)c1 557580531 ATWSNRIJRXLENX-UHFFFAOYSA-N 269.392 3.894 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C/C(=C\C)CC 804832563 OYFCGQHYPAODFQ-IARPEOLWSA-N 267.372 3.561 30 20 CHED C[C@@H](Cc1ccc(O)cc1)Nc1ccccc1O[C@@H](C)C#N 293676467 QZNOTNVRYUOHSW-KBPBESRZSA-N 296.370 3.726 30 20 CHED C=CCC[C@H](O)CN(Cc1ccccc1)[C@H](C)C1CC1 472774167 PYSBRAOEHDINQZ-QAPCUYQASA-N 273.420 3.614 30 20 CHED COc1cccc(/C=N\CC2CCC(F)(F)CC2)c1O 800721957 UZGXWNXEXDOBLA-ZDLGFXPLSA-N 283.318 3.645 30 20 CHED C[C@@H]1CC(=NNc2nc3ccccc3[nH]2)c2ccccc21 807946106 MOTNMLUOYNJSQM-LLVKDONJSA-N 276.343 3.886 30 20 CHED Cc1cccc([C@H]2CCCCN2CCO[C@@H](C)C#N)c1C 801925154 GAQWJPQIPISLFF-MAUKXSAKSA-N 286.419 3.759 30 20 CHED N#CCCN(CCc1cccc(Cl)c1)Cc1ccccn1 297871418 PUFUNFTULFEJLW-UHFFFAOYSA-N 299.805 3.693 30 20 CHED C=CCC[C@@H](C(=O)OCc1ncc(C)cn1)c1ccccc1 808538981 MZAYESBXGUQNFI-MRXNPFEDSA-N 296.370 3.578 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C=C2CCCCC2)c1 803319295 GNSLUXJHZPSWNT-UHFFFAOYSA-N 295.386 3.962 30 20 CHED C#Cc1cc(F)c(NCc2nc(C)c(C)s2)c(F)c1 802744681 KINQGKHCHQYGJJ-UHFFFAOYSA-N 278.327 3.632 30 20 CHED C#Cc1ccccc1C(C)=NNc1ccc([N+](=O)[O-])cc1C 807991087 RTXGFEQGFYCLSF-UHFFFAOYSA-N 293.326 3.721 30 20 CHED C=CCCC1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 568798532 YWBHKIHYQJXQCF-UHFFFAOYSA-N 299.330 3.566 30 20 CHED Cc1nnc(NCc2cccc(-c3ccc(C#N)s3)c2)o1 804485409 QZGROVHXAUQHTD-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](CC)Oc1ccccc1C 569126967 RQDCTNVHIIJMCJ-HNNXBMFYSA-N 289.419 3.871 30 20 CHED CC1(C)CN(c2cccc(F)c2C#N)[C@@H]1c1ccncc1 292736006 MLUSTXSTVXCXOR-MRXNPFEDSA-N 281.334 3.680 30 20 CHED C[C@H](C#N)OCCOc1ccc(OC2CCCCC2)cc1 802729466 MSKSNJQORVJTFZ-CQSZACIVSA-N 289.375 3.706 30 20 CHED C=CC[C@@H](C(=O)N1CCC(C2CC2)CC1)c1ccccc1 646767531 COOAGNISGXZNDB-GOSISDBHSA-N 283.415 3.995 30 20 CHED CCO[C@@H]1CC(=NNc2c(C)cc(C)cc2C)[C@H]1SC 807974768 UCFHZQUBYLZHGL-GDBMZVCRSA-N 292.448 3.920 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1ccccc1OC 644790887 BOPUACOSBWAKMD-UHFFFAOYSA-N 289.419 3.691 30 20 CHED C#C[C@H](NC(=O)c1c[nH]cc1-c1ccc(F)cc1)C(C)(C)C 807878770 BLTNBFVXDYYOIE-INIZCTEOSA-N 298.361 3.599 30 20 CHED CCCCCCCCn1cc(Br)c(N)n1 103672643 UTLBJHSIZPMFEY-UHFFFAOYSA-N 274.206 3.588 30 20 CHED N#Cc1cccc(/C=C2/Oc3cccc(Cl)c3C2=O)c1 811698096 HWRDTKDNLXYRDC-RIYZIHGNSA-N 281.698 3.828 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccccc1OCC1CC1 489887981 XGJIGVGVHAVKTI-UHFFFAOYSA-N 287.403 3.808 30 20 CHED CCN(Cc1cccc(F)c1)c1ccc(C#N)c([N+](=O)[O-])c1 564762991 BXHLZOGIQMVCCY-UHFFFAOYSA-N 299.305 3.632 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1ccc(C#N)c(C)n1 488120093 DLDLLDONLGYQGT-UHFFFAOYSA-N 290.370 3.550 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@]1(C#N)C[C@H]1C)CCC2 568951051 XXGLTVIXLXVTRQ-XVGQJIODSA-N 296.414 3.853 30 20 CHED N#C[C@@H](C(=O)C1=CCCCC1)c1cc(C(F)(F)F)ccn1 813212113 XTMMEXSYLVLMAV-GFCCVEGCSA-N 294.276 3.777 30 20 CHED N#C[C@H]1CCCC(=NNc2nc(C(F)(F)F)cs2)C1 814868215 XCRMFTJXTPHPCT-ZETCQYMHSA-N 288.298 3.644 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1C2CCC1CC2 577042735 QWLQANXQDVOIGB-KLAILNCOSA-N 284.403 3.510 30 20 CHED C=C(C)COc1cc(CNC2(C(C)C)CC2)ccc1OC 572139289 QANCDPLYCYMLSI-UHFFFAOYSA-N 289.419 3.928 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C)[nH]c1C 811590587 YSMDHYDJNGSEHM-UHFFFAOYSA-N 262.397 3.888 30 20 CHED C=C[C@@H]1CCCCN1c1ncnc2sc(C)c(C)c12 486463878 FHCOMUWHOFXFBR-GFCCVEGCSA-N 273.405 3.853 30 20 CHED FC(F)(F)c1cscc1C=NOCCC1CC1 814244669 GJTNNHRLYSOSEI-UHFFFAOYSA-N 263.284 3.918 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)c1ccccc1OCC 488376211 FBKPYLZQJSVWNB-CQSZACIVSA-N 298.386 3.564 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c1 572109727 GAMHOVHXONAHOA-IPYPFGDCSA-N 295.386 3.507 30 20 CHED C[C@@H](C=NNc1nc(O)c2ccccc2n1)C1CCCCC1 814869358 XQMDCFGBQYNUHS-LBPRGKRZSA-N 298.390 3.950 30 20 CHED C=CCCC(=O)COC(=O)c1cc2cc(C)ccc2s1 811347084 JPBZQPMSSXECJY-UHFFFAOYSA-N 288.368 3.902 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)[C@@H]1CCOC1 812233076 QVGSHUUYPFKFQO-CQSZACIVSA-N 260.381 3.943 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)c1ccc(CC#N)cc1 482692439 SDNDUTHZUYUDCA-KEYYUXOJSA-N 284.403 3.555 30 20 CHED COc1ccc([C@@H](C)C(C)=NOC/C=C\Cl)cc1 811668340 NAAMGZRWDQYMFB-ZEEKFTDESA-N 267.756 3.944 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@@H]2CCC[C@H](C)C2)nc1 818801898 HJTVQBQQXPVMRS-DOTOQJQBSA-N 298.430 3.884 30 20 CHED CCOc1ccc(NN=C/C=C/c2ccco2)cc1 814985371 DKRBIXFDFLIYHM-SQMWIMCZSA-N 256.305 3.789 30 20 CHED C[C@H]1C[C@@H](C)N(Cc2ccccc2C(C)(C)C#N)C1 487413969 SQCKSAOKVKCCAW-UONOGXRCSA-N 256.393 3.718 30 20 CHED C=CCCCNC(=O)N[C@@H]1CCc2sc(Cl)cc21 576559673 WJIQSLJONBROEP-SNVBAGLBSA-N 284.812 3.654 30 20 CHED C#CCCCOC(=O)CCC(=O)c1ccc2ccccc2c1 727040931 ZNBXSSDHRUUDMN-UHFFFAOYSA-N 294.350 3.759 30 20 CHED CO[C@H]1CCCC(=NNc2cc(Cl)nc(Cl)c2)C1 819828985 XRHQMFFNTMWCHF-JTQLQIEISA-N 288.178 3.745 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C1CC2(CCC2)C1 570163766 BIKXITAJAYTBDI-UHFFFAOYSA-N 269.388 3.782 30 20 CHED CC(=NNC1CCCC1)c1nc2ccccc2n1C(F)F 727651533 DEOGMVKBPOALNG-UHFFFAOYSA-N 292.333 3.688 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1cccc(F)c1C#N 490205755 VGGJWLUSTWQGKQ-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED Cc1ccc(/C=C\C(=O)c2cnnn2-c2ccccc2)s1 821008892 UECSBVRBLMSRAV-KTKRTIGZSA-N 295.367 3.533 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(F)F)cc1F 653544048 KAFSVALYFVCNNX-UHFFFAOYSA-N 271.282 3.802 30 20 CHED CC(C)c1ccc(N[C@H](C(=O)O)c2cccc(C#N)c2)cc1 827124468 MQQUZOCACDFTRZ-KRWDZBQOSA-N 294.354 3.919 30 20 CHED N#Cc1ncccc1SCCCOCc1ccccc1 577295777 VVDQGPPCIWEROH-UHFFFAOYSA-N 284.384 3.652 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@@H]2OCC[C@@H]2C1 825611843 UTORRNFASRJTKI-CVEARBPZSA-N 296.455 3.557 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1ccc(SC(F)F)cc1 824955616 XNXVGFFTGLATIQ-KGLIPLIRSA-N 299.386 3.825 30 20 CHED N#Cc1ccc(OC(=O)/C=C\c2ccc(Cl)s2)cc1 821695544 OHCPLWNQRAZHNW-VURMDHGXSA-N 289.743 3.892 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@H]1CCCCC(F)(F)C1 490302917 UMTBSVYDWMTVSI-STQMWFEESA-N 288.382 3.856 30 20 CHED C=CCN(C/C=C\c1ccncc1)Cc1ccccc1F 495165361 DPPLRUHDMGBCJS-WAYWQWQTSA-N 282.362 3.922 30 20 CHED CC(=NOCc1cc(C2CC2)no1)c1ccc(F)cc1 902856986 WBGLAOCPWWDBDO-UHFFFAOYSA-N 274.295 3.632 30 20 CHED C=CCCCC[C@H](C)N[C@@H](CCO)c1cccs1 823911148 BWLDHECEOXOGFI-KBPBESRZSA-N 267.438 3.896 30 20 CHED N#CCCCCCc1nc(-c2cnc3ccccc3c2)no1 589089106 BSYNPTSUFYHEBJ-UHFFFAOYSA-N 292.342 3.911 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccnc1C(F)(F)F 905639027 AVFDCFIEZDHJIB-SECBINFHSA-N 272.270 3.641 30 20 CHED C=CCCC[C@H](NC[C@H]1CCC[C@H](CC)C1)C(=O)O 900069356 YOTCMSQKKYDXJS-KKUMJFAQSA-N 267.413 3.602 30 20 CHED CN(CC[C@@H]1CC1(Cl)Cl)Cc1ccc(C#N)cc1 822570535 LMALDPNBECUNFQ-CYBMUJFWSA-N 283.202 3.574 30 20 CHED CCCCCCCCCc1nc(-c2ccn(C)n2)no1 904870685 IKYLNVNVSDAWJV-UHFFFAOYSA-N 276.384 3.763 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCCC1CCCC1 494416886 KZODTHNULGNPQV-HNNXBMFYSA-N 264.413 3.707 30 20 CHED CCCc1csc(CN[C@@H](C)c2ccc(C#N)cc2)n1 494320473 WAGSCCWXAFSBMU-LBPRGKRZSA-N 285.416 3.818 30 20 CHED N#CCc1cc(-c2ccc(N3CCCC3)nc2)ccc1F 904761116 UHZWCULZDKQNFR-UHFFFAOYSA-N 281.334 3.554 30 20 CHED C#CCOc1cccc(NC(=O)N[C@H](C)CCCCC)c1 731110937 KYVJPVBJHLSENE-CQSZACIVSA-N 288.391 3.789 30 20 CHED N#CCCCCCC(=O)N[C@H]1C[C@@H]1C1CCCCC1 588159350 QCLCTJPAMBEAKE-CABCVRRESA-N 262.397 3.545 30 20 CHED Cc1cccc2c(CC(=O)O[C@H]3CCC[C@@H](C#N)C3)c[nH]c12 839053859 MEKQXXUTIKQZKS-HIFRSBDPSA-N 296.370 3.644 30 20 CHED N#C[C@@]1(C(=O)OCc2ccccc2Cl)CC12CCCC2 837901524 CQQXHKPZCCLLPF-MRXNPFEDSA-N 289.762 3.857 30 20 CHED N#Cc1ccccc1-c1ccccc1OC[C@@H]1CCOC1 589962575 XNKRHIINCUPRKR-CQSZACIVSA-N 279.339 3.641 30 20 CHED CSCc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 839042803 FYBATKVQZROTBZ-ZFWWWQNUSA-N 289.400 3.789 30 20 CHED C/C=C\COc1cccc(CC(=O)OC2(CC#N)CCC2)c1 835398924 AYZJREAPDQDYGY-IHWYPQMZSA-N 299.370 3.564 30 20 CHED C#CCO[C@@H](C)c1nc([C@H](c2cccc(C)c2)C(C)C)no1 834737053 FZTNYKRVJSBCDI-HOCLYGCPSA-N 298.386 3.877 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCC1(C#N)CC1 903105569 DYMINHJWIBGAHX-INIZCTEOSA-N 279.387 3.747 30 20 CHED C=CCC1(C(=O)OCCCCCCO)CCCCC1 838154283 RFOJXSMJBZYYJV-UHFFFAOYSA-N 268.397 3.609 30 20 CHED Cc1ccc2cc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)ccc2n1 839057693 UIJCWZSQCMAQPX-CJNGLKHVSA-N 294.354 3.782 30 20 CHED C=CCCCCCN(C)C(=O)c1nc2cnccc2s1 669049263 QMOLQVXPTGGWLV-UHFFFAOYSA-N 289.404 3.510 30 20 CHED CC(=NOCC[C@@H]1CCCO1)c1cc2ccccc2o1 588557392 DOEOJYKONVWATR-AWEZNQCLSA-N 273.332 3.743 30 20 CHED CC(=NNc1ccc(F)cn1)c1cnc2ccsc2c1 739412320 WDNQZSUVFQPQJK-UHFFFAOYSA-N 286.335 3.667 30 20 CHED C=CCC1(C(=O)[C@@H](C#N)c2nc(C)cs2)CCCC1 835038683 XXZUOTXOWORWNL-GFCCVEGCSA-N 274.389 3.764 30 20 CHED C=CCCCCNc1cccc([C@H](C)C(=O)OC)c1 582111436 SMRBDYWHXPQTHV-ZDUSSCGKSA-N 261.365 3.731 30 20 CHED CS[C@@H]1CCCC(=NNc2cccc(Cl)n2)C1 901245420 DARFZKBBLGNQLF-SNVBAGLBSA-N 269.801 3.809 30 20 CHED Cc1cc(/C=C/C(=O)c2csc(C(=O)O)c2)ccc1F 730148114 BUFVQNIASLZGFC-HWKANZROSA-N 290.315 3.790 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(F)c2occc12 904182104 XCHNCIHYGAGPKL-MRXNPFEDSA-N 288.322 3.630 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H]2CCC[C@H](SC)C2)c1 735229038 PIDIMUAQTIZWTM-AUUGRSLUSA-N 293.432 3.884 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)COc2c(F)cccc21 730729658 LNPHNGUQAACSNF-JXMROGBWSA-N 290.240 3.763 30 20 CHED CSc1c(F)cccc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839058720 LGHIXCXGZRUNHU-MNOVXSKESA-N 293.363 3.787 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1Cl 678755595 UPGXQLRSAABZIK-SSDOTTSWSA-N 277.673 3.663 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](CCC)c1ccccn1 678841079 OCVPFXXJBQZVMC-ZBFHGGJFSA-N 289.423 3.967 30 20 CHED C=CC[C@H](NC(=O)C1=CC[C@@H](C)CC1)c1ccncc1 836699297 MJYSQBANULYBIP-CJNGLKHVSA-N 270.376 3.561 30 20 CHED C=CCCOC(=O)c1c(NC(=O)C(C)C)sc(C)c1C 740236056 LNJIDOWSTYYDOG-UHFFFAOYSA-N 295.404 3.692 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C 594447385 IUGMPOUVSQFGIJ-OAHLLOKOSA-N 299.418 3.763 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)s1 915969098 JPNFZRRQPSNFBO-UHFFFAOYSA-N 296.739 3.541 30 20 CHED CC[C@@H](NC[C@H](C#N)CCC#N)c1cc(C)ccc1C 599639816 CPOBRQMRKUPETI-DOTOQJQBSA-N 269.392 3.788 30 20 CHED C[C@@H]1CN(c2cc(C#N)ccn2)CCc2ccc(Cl)cc21 593492359 MEARSJUUXKVDTF-GFCCVEGCSA-N 297.789 3.773 30 20 CHED CC(C)(C(=O)NCc1ccc(C#N)c(Cl)c1)C1CCC1 590756943 OKTOXOXIEXGWAO-UHFFFAOYSA-N 290.794 3.654 30 20 CHED C[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)CC(C)(C)C#N 598587192 OVFVJZKQYJRRCK-IUODEOHRSA-N 294.826 3.634 30 20 CHED CCCCCCCC(=O)OCc1cnc(C)s1 918533942 KHELJONJYJJAJV-UHFFFAOYSA-N 255.383 3.855 30 20 CHED C[C@H](C#N)CNN=C1CC[C@@H](c2cccc(Cl)c2)C1 841630947 BKNPIYZSFIOJRE-DGCLKSJQSA-N 275.783 3.713 30 20 CHED CC[C@H](/N=C/c1cc2ccccc2nc1O)C1CCOCC1 746391823 BHGCEDBVOGQTKN-QUYZQLMHSA-N 298.386 3.565 30 20 CHED C=C(Cl)COC(=O)c1csc(Cc2ccccc2)n1 915254025 QANUUXNKBWCNBT-UHFFFAOYSA-N 293.775 3.643 30 20 CHED C#CCCCC(=O)Nc1ccccc1OCCC(C)C 847164053 ATYIEAJSDPVAJN-UHFFFAOYSA-N 273.376 3.854 30 20 CHED CCOc1ccc(/C=N\[C@H](C)c2ncc(C)s2)c(O)c1 749931753 WAWREXKSVJWRPF-WIWNTQSISA-N 290.388 3.736 30 20 CHED Cc1ccc(C)c(OC(=O)c2sccc2C#N)c1C 748053737 VOBPCGCQYPFCAD-UHFFFAOYSA-N 271.341 3.764 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)C2CCCCC2)c1 743084265 KUQNBKGTZZTLRL-CYBMUJFWSA-N 270.376 3.758 30 20 CHED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@@H](C)C#N 597638547 SHKOCOFYSPNALQ-LSDHHAIUSA-N 272.392 3.700 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 746605491 XUCWWMRFZYUUTA-QMMMGPOBSA-N 292.593 3.966 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C1CCC1 594036517 AUXUKMGQUDIOAO-CQSZACIVSA-N 298.430 3.679 30 20 CHED CCO[C@@H](CC)c1noc(CC2(C#N)CCCCC2)n1 596622184 VSNADCMLBRZPMH-LBPRGKRZSA-N 277.368 3.574 30 20 CHED Oc1ccc(C=NNc2cccc3ccccc23)c(O)c1 747060043 GAGRBLJJQIHSKF-UHFFFAOYSA-N 278.311 3.697 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)Nc1cccc(C)c1 743055515 ZIKLGKXQHOKLNM-UHFFFAOYSA-N 298.317 3.790 30 20 CHED CCN(C(=O)c1oc2ccc(Cl)cc2c1C)[C@H](C)C#N 598354267 QCBVQBYXCILPDX-SECBINFHSA-N 290.750 3.769 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(Cl)nn2)C1(CC)CC 748244502 NEEXGNBWLKQCDU-LLVKDONJSA-N 296.802 3.513 30 20 CHED CCCNN=C(C)c1ccc(SC(F)F)c(OC)c1 746490278 UKYQIKROHQDKJJ-UHFFFAOYSA-N 288.363 3.734 30 20 CHED C=CCOc1ccc(-c2nc([C@@](C)(CC)OC)no2)cc1 685702125 VXNFQKPXSOVUKL-MRXNPFEDSA-N 288.347 3.573 30 20 CHED CCCCCC[C@@H](C)NN=Cc1csc([N+](=O)[O-])c1 743450383 JUZURNGPJTVRHT-LLVKDONJSA-N 283.397 3.939 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccnn1CC(C)C 843269270 MHWJKSFZRBEBDS-FNORWQNLSA-N 286.350 3.883 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1ccc2ccccc2n1 749806333 BKVRNNQPDQSXIE-UHFFFAOYSA-N 297.749 3.514 30 20 CHED C=C(C)CN(CC)C(=O)CSc1nc(CC)c(C)s1 845324285 PWCGZRUDQYIWHF-UHFFFAOYSA-N 298.477 3.531 30 20 CHED CCC[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593990140 DBKYXFXIDBXEBN-CRAIPNDOSA-N 298.430 3.776 30 20 CHED C[C@H](C#N)CN(C)CCSc1cccc(Cl)c1 595302144 RYFUYTUXQMAKKW-LLVKDONJSA-N 268.813 3.524 30 20 CHED CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H](C#N)CC 593399897 UYTUTZJCPGRCDU-OAHLLOKOSA-N 290.382 3.894 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1coc2ccccc12 926347524 ZKYJFSLFLXPEEP-GFCCVEGCSA-N 254.333 3.777 30 20 CHED N#CCCCCOC(=O)c1ccccc1Oc1ccccn1 740999495 SIACSLIAJNJDAK-UHFFFAOYSA-N 296.326 3.725 30 20 CHED CCCON=Cc1csc(-c2ccc(OC)cc2)n1 842565437 HXJNCPJOCFMYIU-UHFFFAOYSA-N 276.361 3.579 30 20 CHED COc1ccc(C(C)=NN[C@H](C)c2ccccc2)cc1OC 920385890 JXJOQTGEHDFWEP-CYBMUJFWSA-N 298.386 3.779 30 20 CHED CC(C)OC1CCN(CCCCC2(C#N)CCC2)CC1 929601100 RJXXLEWLQXJKOU-UHFFFAOYSA-N 278.440 3.740 30 20 CHED CCCCCCCCNc1cccc2c1oc(=O)n2C 753713329 GJAHIKSKRGFNJA-UHFFFAOYSA-N 276.380 3.904 30 20 CHED Cc1cc(F)c(CC(=O)O[C@@H](C)CC(C)(C)C#N)cc1F 851205420 IEWSDBOIVSOYPL-NSHDSACASA-N 295.329 3.687 30 20 CHED C(=NOCc1cncc(OCc2ccccc2)c1)C1CC1 853735574 WYUSECWCRVWUGK-UHFFFAOYSA-N 282.343 3.573 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H]1c1cc(C)on1 858110173 LKDBYOROHOPTMF-HNNXBMFYSA-N 293.411 3.800 30 20 CHED C=C[C@H](CC(=O)O[C@H]1C=CCCC1)c1ccccc1 758912851 OHZAHHHGNSQDBO-ZBFHGGJFSA-N 256.345 3.998 30 20 CHED CO[C@@H](CN[C@@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 925478502 NHQMFARSVOLRLD-WFASDCNBSA-N 294.826 3.945 30 20 CHED COc1cccc(C(C)=NN[C@@H](C)c2ccccc2)c1 920385671 FTQJFMALPBRXPN-ZDUSSCGKSA-N 268.360 3.770 30 20 CHED C[C@@H](NN=Cc1ccc(OC(F)F)cc1)c1ccccc1 920386375 YXLLMKHEAFNZAF-GFCCVEGCSA-N 290.313 3.973 30 20 CHED Cc1ccc(C=NNC2CCCC2)c(Br)c1 753698668 WIUPPNHGXRWIEA-UHFFFAOYSA-N 281.197 3.624 30 20 CHED C=C(C)COC(=O)C[C@@H](CC)c1ccc(OC)cc1 751808328 QFHMQTNUTPQULG-CYBMUJFWSA-N 262.349 3.698 30 20 CHED CC(C)(C)[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)CS1 754145880 WBBLNFBYNDIOLD-UKRRQHHQSA-N 292.423 3.707 30 20 CHED C=C(Br)COC(=O)C[C@H]1CCC[C@@H](C)C1 750241366 NBXJQRIYDJYFKC-KOLCDFICSA-N 275.186 3.655 30 20 CHED C#CCCSc1nc(-c2ccccc2)ccc1C#N 751784126 HNNYMVVKHZNQQJ-UHFFFAOYSA-N 264.353 3.736 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H](C)c2ccc(F)cc2)n1 756895865 YOBWPISCBUJXPW-VIFPVBQESA-N 292.745 3.779 30 20 CHED CC(C)Oc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 924709506 UMLHDUOVZJVGBA-CQSZACIVSA-N 274.408 3.892 30 20 CHED C(=NNc1ccccc1)c1c(C2CC2)nc2sccn12 755461647 JZNNPBSIDOTJST-UHFFFAOYSA-N 282.372 3.719 30 20 CHED C#C[C@](C)(CC)NC[C@H](OC(C)C)c1ccccc1 852103463 IPMFMXIVUGQABH-DLBZAZTESA-N 259.393 3.544 30 20 CHED COc1ccc(NN=C2CCc3cc(C)ccc32)cc1 750946014 LZVAZHAPPZSAEN-UHFFFAOYSA-N 266.344 3.766 30 20 CHED CC[C@@H]1CCC[C@H](C)N1Cc1ccc(OCC#N)cc1 852712009 KKJISJBGWZANCL-GOEBONIOSA-N 272.392 3.742 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(-c2cnco2)cc1 851211980 PFQJZXQUNIQUKD-GFCCVEGCSA-N 298.342 3.827 30 20 CHED CSc1cc(-c2cnn([C@@H]3CCCCO3)c2)ccc1C#N 854208966 BUEDFRZXCJJKLX-INIZCTEOSA-N 299.399 3.843 30 20 CHED CCCCCCCCNC(=O)c1sc(COC)nc1C 759680431 WGZGQVZXWAIECO-UHFFFAOYSA-N 298.452 3.688 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccco1)CC(F)(F)F 931262430 BSYACPYXEZWVGL-LLVKDONJSA-N 289.297 3.773 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cc([N+](=O)[O-])ccc1O 758094841 GHFXWCUAARNLPE-UHFFFAOYSA-N 299.330 3.753 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N[C@H](C#N)C1CCCCC1 934128394 BFCAJXQBICYWCX-RHSMWYFYSA-N 284.403 3.687 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1nc2ccccc2n1CC 932206854 POGHDIWFKCMYID-UONOGXRCSA-N 299.418 3.836 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccc(C(=O)O)cc1 765992722 NPYJRJSCQGIRDH-JTQLQIEISA-N 260.337 3.609 30 20 CHED N#Cc1cccc(COC(=O)[C@H](c2ccccc2)C2CC2)c1 765938855 OEUHNABMENWWRQ-GOSISDBHSA-N 291.350 3.795 30 20 CHED CO[C@@H](C)C(C)=NNc1ccc(Br)cc1C 763172705 VTEFNYKNJYANAV-JTQLQIEISA-N 285.185 3.580 30 20 CHED CCCCCCCC(=O)N[C@H](CCO)c1cccs1 768877906 SZUYVYPIEORNPC-CYBMUJFWSA-N 283.437 3.648 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNCCc1ccccc1F 766026157 TYLFNZFGJKSRSW-GFCCVEGCSA-N 262.372 3.770 30 20 CHED C=CCOc1ccccc1C(=O)OC/C(Cl)=C\Cl 763919187 DRWCZZYYHDFTCA-CSKARUKUSA-N 287.142 3.727 30 20 CHED Cc1nn(C)c(C)c1C=NNc1c(Cl)cccc1Cl 763181263 WUZYZSRRNIKTDI-UHFFFAOYSA-N 297.189 3.790 30 20 CHED CC[C@@H](Cc1cccs1)NCc1ccc(C#N)cc1 765013527 STWOJAUQOLKYGB-HNNXBMFYSA-N 270.401 3.731 30 20 CHED Cc1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc1-n1cccc1 765632563 FFNJFOGZSUAVLX-MRXNPFEDSA-N 296.370 3.881 30 20 CHED CC(C)n1ncnc1CSCCC1(C#N)CCCCC1 1118037230 BRMSMQAAPLDCIV-UHFFFAOYSA-N 292.452 3.956 30 20 CHED C#CCCCCCC(=O)NCc1ccc(CC)s1 779844879 ASKCZLVDZODOPR-UHFFFAOYSA-N 263.406 3.510 30 20 CHED CC(Cc1ccc(Cl)cc1)=NO[C@H]1CCCCO1 773205714 AHRBBIGOIYZZQP-AWEZNQCLSA-N 267.756 3.802 30 20 CHED C(=NNc1ccccc1)C1([C@H]2CCCCO2)CCC1 872323836 ARIYFOGSJDHNPM-OAHLLOKOSA-N 258.365 3.824 30 20 CHED C#CCOc1ccccc1NC(=O)CCCC1CCCC1 775940616 RDKYMLMWIAXHTI-UHFFFAOYSA-N 285.387 3.998 30 20 CHED COc1cccc(NN=C(C)C2CCSCC2)c1 777429536 IYCBVDMBEWAQQD-UHFFFAOYSA-N 264.394 3.626 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1cccc(F)c1F 776268438 ODKSMERTDHDOKJ-XQRVVYSFSA-N 278.229 3.706 30 20 CHED CC[C@H](C)NN=C(C)CCc1c[nH]c2ccccc12 872368080 CSXQCSGGFDPNRV-LBPRGKRZSA-N 257.381 3.865 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1nc(Cl)cs1 877598544 HHZKMOQYMTXAQO-SNVBAGLBSA-N 291.807 3.861 30 20 CHED CSC(C)(C)CCN[C@H]1CCc2cc(C#N)ccc21 877483488 WDZOVYQBSVTKSG-HNNXBMFYSA-N 274.433 3.667 30 20 CHED C=CCOc1cccnc1C(=O)OCCC1CCCCC1 775112350 KCTCZLVLHDLULH-UHFFFAOYSA-N 289.375 3.774 30 20 CHED N#Cc1cc(/C=C/C(=O)c2cc(F)ccc2F)ccc1F 770571707 VMKSDZUSMJUMFD-QHHAFSJGSA-N 287.240 3.872 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(-c2ccon2)cc1 886953842 PIXLJDFYFPAJLD-GFCCVEGCSA-N 270.332 3.882 30 20 CHED C=C(CC)COC(=O)Cc1csc(-c2cccs2)n1 773454046 QVHGHWVUZDUYKF-UHFFFAOYSA-N 293.413 3.924 30 20 CHED N#CCOc1cccc(NC[C@H]2CCc3ccccc32)c1 779736296 BSXMPWWGYIIDTI-OAHLLOKOSA-N 278.355 3.731 30 20 CHED C=CCN(C(=O)N[C@@H](C)CCCCCC)C1CC1 772405182 LJZFOAWMSIRMCB-ZDUSSCGKSA-N 252.402 3.705 30 20 CHED CCCCCCCC(=O)O[C@@H]([C@@H]1CCOC1)C(F)(F)F 778024671 NWLGYEIJSAMYOG-YPMHNXCESA-N 296.329 3.858 30 20 CHED C=CC[C@H](NC(=O)N1[C@H](C)CC[C@H]1CC)c1ccncc1 772494013 LIJKHHZYCQENKK-BMFZPTHFSA-N 287.407 3.671 30 20 CHED Cc1cc(NCC(C)(C)C#N)c(Cl)cc1[N+](=O)[O-] 781683440 CAOYOAIKCMSPMP-UHFFFAOYSA-N 267.716 3.518 30 20 CHED C=C(C)[C@H](N[C@H]1CC[C@H]1C)c1ccc(F)c(F)c1 783295301 SHDXOPVUINEONA-ONERCXAPSA-N 251.320 3.970 30 20 CHED COc1ccc(/C=C2/CCOc3cc(F)ccc3C2=O)cc1 781555269 DQWSLSMTESHMDY-RAXLEYEMSA-N 298.313 3.883 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc2sc(C)nc2c1 781199845 DWYHKEFTUCVZFE-JTQLQIEISA-N 290.388 3.524 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1 898677511 QKOPARAHCOISHH-MRXNPFEDSA-N 273.351 3.846 30 20 CHED C[C@@H](CC(=O)N1CCCc2nc(C#N)ccc21)CC(C)(C)C 892408078 NCMTUDRHQAXPAN-ZDUSSCGKSA-N 299.418 3.695 30 20 CHED C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(C#N)c1 784403227 HEAXIPKJQSNSAN-CYBMUJFWSA-N 290.322 3.542 30 20 CHED N#Cc1csc(C(=O)OCc2cccc(Cl)c2F)c1 786298351 GYRLKIGMPYIXRY-UHFFFAOYSA-N 295.722 3.769 30 20 CHED N#CC1(CCCC[S@@](=O)Cc2ccsc2)CCC1 899431674 AMCNXRYLVUBZFM-GOSISDBHSA-N 281.446 3.861 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]([C@@H](C)O)C1 780803136 IEUSGPVTEJQQRC-GVDBMIGSSA-N 297.483 3.993 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1ccnc(Cl)c1 782193664 GTDMFMZCYNXVGJ-WAYWQWQTSA-N 297.741 3.950 30 20 CHED C=C[C@@H](CC(=O)NC(C)(C)CSC)c1ccccc1 890873860 BAGJZQRIXQWNSW-ZDUSSCGKSA-N 277.433 3.604 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCc3ccccc32)CC1 892875577 YRQNAQTXCJCDMW-MRXNPFEDSA-N 255.361 3.537 30 20 CHED N#CCSc1nc2c(Br)cccc2s1 794456272 SFDFDYVTPXRCNB-UHFFFAOYSA-N 285.191 3.674 30 20 CHED CCCc1ccc(NC(=O)c2cccc(C#N)c2)cc1 15554569 DDDAWICHKYVINQ-UHFFFAOYSA-N 264.328 3.763 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1cccc(CC(C)C)c1 794720367 TXKGCRGXEUYIHV-HJWRWDBZSA-N 282.387 3.823 30 20 CHED C#CC[C@@H](N[C@@H]1CCCc2cccnc21)c1ccccc1 798931256 JVMXCZLAEDEIIS-QZTJIDSGSA-N 276.383 3.813 30 20 CHED C#CCCCCCC(=O)Oc1ccc(C#N)cc1CC 799440440 JRMNRCUAKPQRKJ-UHFFFAOYSA-N 269.344 3.610 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3cc(F)ccc32)cc1 132731218 QCJFELNIYFIWGC-MRXNPFEDSA-N 252.292 3.797 30 20 CHED N#CCC1(COC(=O)CC2CC(c3ccccc3)C2)CC1 798834819 MBPQDIQUPOEUCY-UHFFFAOYSA-N 283.371 3.807 30 20 CHED COc1cc(C=NOCc2cc(C)cc(C)c2)cc(OC)c1 794726460 SDHGYHLTASZGSW-UHFFFAOYSA-N 299.370 3.871 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C)CCC1CC1 1205348084 VKNYQTCEFLEVGJ-GFCCVEGCSA-N 258.365 3.948 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1ccc(Cl)cc1 796462491 CYVWMBRZVJYKNC-UHFFFAOYSA-N 280.751 3.668 30 20 CHED N#CCC1(C/N=C/c2cc(Cl)cc(Cl)c2O)CC1 797399028 SPRITHVYXIYDLJ-REZTVBANSA-N 283.158 3.812 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1F)c1ccnc(F)c1 794720644 SEKRTFMAIIGHCM-DAFODLJHSA-N 279.673 3.909 30 20 CHED CCC(=NNc1cccc(F)n1)c1ccc(N(C)C)cc1 795007443 ZQPJIURHDBKLMY-UHFFFAOYSA-N 286.354 3.513 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc3c2OCO3)oc1C 799895129 MIQJRCFLXCXMJA-VOTSOKGWSA-N 270.284 3.521 30 20 CHED CC(=NN[C@H]1CCCOC1)[C@H](C)c1ccc(Cl)cc1 794536931 UDKMUHIPNHLNOG-NHYWBVRUSA-N 280.799 3.588 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNc1nc(C)cc(C)n1 797398406 SACLNBKSYOEWQG-GXFFZTMASA-N 260.385 3.708 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1cncnc1)CCCO2 794976166 GMSRHJFQHUKPFR-UHFFFAOYSA-N 296.374 3.589 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(C#N)c2)oc1C 799898271 XHKUHSWCGMWBGN-VOTSOKGWSA-N 251.285 3.664 30 20 CHED N#Cc1cccc(CN(Cc2ccccc2)CC2CCC2)n1 1308632131 LEDMZUZAAZXJNU-UHFFFAOYSA-N 291.398 3.756 30 20 CHED COc1cc(C#N)ccc1OC[C@H]1CCCC[C@H]1C 1307243248 YNYKRZGYAVQQFM-TZMCWYRMSA-N 259.349 3.772 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@H]1N=c1cc[nH]c(C#N)c1 1307089152 IUMIGMGFRMMEPW-HKUYNNGSSA-N 291.398 3.747 30 20 CHED CCC1(CC)[C@@H](N(C)Cc2cccc(C#N)c2)C[C@H]1OC 1307543659 MZRCDGCWOYXMME-DLBZAZTESA-N 286.419 3.584 30 20 CHED CCSCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 76153236 ZXLQSOUEBDANQQ-HOTGVXAUSA-N 274.433 3.511 30 20 CHED CC(C)C1CCC(NCc2cccc(OCC#N)c2)CC1 1318717346 HQEMYUHVAUQAQD-UHFFFAOYSA-N 286.419 3.893 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1cccc(C)c1 1318734192 QLKPNZPPOBHDAV-LBPRGKRZSA-N 259.378 3.626 30 20 CHED Cc1cc(C)cc(C(=O)Nc2ccc(F)cc2C#N)c1 135156969 QYIUKBCGLRININ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=CCn1cnnc1SCCCCCCCC 1248675671 PMBADPPOFWUZLR-UHFFFAOYSA-N 253.415 3.917 30 20 CHED C=CCC1(C(=O)OCc2ncoc2C(C)C)CCC1 1324517279 PZMLIDWBMTWYNC-UHFFFAOYSA-N 263.337 3.588 30 20 CHED CC(C)CCCOC(=O)C1(c2cccc(C#N)c2)CC1 1328169122 DWMHVPREQSQYOS-UHFFFAOYSA-N 271.360 3.569 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)[C@H]1CCCOC1 1320041966 UVASSCADCHCSPN-LBPRGKRZSA-N 266.772 3.863 30 20 CHED Cc1ccc(C)c(Sc2ncc(C#N)cc2F)c1 1184536018 IFMHQNGHVRRPAR-UHFFFAOYSA-N 258.321 3.860 30 20 CHED CCCCCCCCCC(=O)N1CC[C@](O)(C2CC2)C1 1320959169 TWPRXDDJSGNFSQ-QGZVFWFLSA-N 281.440 3.501 30 20 CHED C=C[C@@H](COC)NC1CCC(C)(c2ccccc2)CC1 1338112755 PZDFWRDSWYWNDJ-AOCRQIFASA-N 273.420 3.678 30 20 CHED C#CCCCCC(=O)NCc1cccc(Cl)c1Cl 693670296 PVKAYHRCMMJGHD-UHFFFAOYSA-N 284.186 3.803 30 20 CHED C[C@@H](NC(=O)Nc1sccc1C#N)C1CCCCC1 1186310665 TXOODCJSSZIKCB-SNVBAGLBSA-N 277.393 3.710 30 20 CHED COCCc1ccc(OCCCC(C)(C)C#N)cc1 87609001 PUUBPMHQWAFCPD-UHFFFAOYSA-N 261.365 3.584 30 20 CHED C#C[C@@H](C)N(C)C(=O)CCCSc1ccc(Cl)cc1 767237430 ONBANIFLXZWNPC-GFCCVEGCSA-N 295.835 3.692 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1ccc(F)c(F)c1 1256653005 LOPAHAINWPUTDS-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1nc(CNc2ccc(Cl)c(C#N)c2)sc1C 88523028 JFTFURURUPHEGQ-UHFFFAOYSA-N 277.780 3.897 30 20 CHED CC[C@H](NCc1cccc(OCC#N)c1)c1ccccc1O 1255175846 PRKOXCRLRVRLEK-KRWDZBQOSA-N 296.370 3.535 30 20 CHED CC(C)CCN(C(=O)Nc1sccc1C#N)C1CC1 1335074041 AHQIJRANQGHVGR-UHFFFAOYSA-N 277.393 3.662 30 20 CHED C=C(C)COCCN[C@H](C)c1sc(C(C)(C)C)nc1C 90451319 KXQVUTQMUQFAPZ-GFCCVEGCSA-N 296.480 3.992 30 20 CHED C=CCOCCCC(=O)O[C@@H]1CCSc2ccccc21 1253839150 VBBCUSIFOYAGQN-CQSZACIVSA-N 292.400 3.750 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2CC[C@H](CC)CC2)c1 782431996 GZYBRWDXISXECM-KOMQPUFPSA-N 269.388 3.847 30 20 CHED CC1(C)CCCC[C@H]1NCc1ccc(C#N)cc1F 94325683 ICEDOZALBPMVSZ-OAHLLOKOSA-N 260.356 3.756 30 20 CHED CCCCCCCCNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 1191051329 IFTCYRPFOKURPY-CVEARBPZSA-N 296.455 3.557 30 20 CHED Cc1cccc([C@@H](C)C(=O)O[C@@H](CC#N)c2ccco2)c1 1345547380 KYPIJFYPTZKQBU-CJNGLKHVSA-N 283.327 3.890 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2cccc(F)n2)c1 1342647244 WMOQFMPQBWKEQB-RRFJBIMHSA-N 294.329 3.509 30 20 CHED N#CC[C@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccco1 1346719685 BWICQHBDGUPAIE-PBHICJAKSA-N 295.338 3.898 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(F)c2cccnc12 1262809848 QWNWNFKUQGYRSX-CYBMUJFWSA-N 298.361 3.945 30 20 CHED CC(C)CCCCC(=O)Nc1ccc(OCC#N)cc1 1261292849 RSQVNRGNMUTSLN-UHFFFAOYSA-N 274.364 3.744 30 20 CHED C=C[C@H](C(=O)N1CCCC12CCC2)c1ccccc1 1349317831 XGJRPMMCQGJXOJ-HNNXBMFYSA-N 255.361 3.501 30 20 CHED N#Cc1cc(Cl)ccc1SCC[C@@H]1CCOC1 1348801814 MYNWYHJHPPNLDC-JTQLQIEISA-N 267.781 3.730 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1270342297 NBOOKHQCMXFMHL-IAGOWNOFSA-N 298.430 3.969 30 20 CHED C=CCCCCCCCCNC1CCN(C(C)=O)CC1 806177012 RWSPOKIIPYUYAC-UHFFFAOYSA-N 280.456 3.504 30 20 CHED C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)c1cc2ccccc2o1 1632510700 KLSVIZQWSVMYAE-FZKQIMNGSA-N 296.370 3.689 30 20 CHED C#CCC1(C(=O)Nc2cc(C)cc(C(=O)O)c2)CCCCC1 1573303040 JMCZZHCLZPGMCH-UHFFFAOYSA-N 299.370 3.606 30 20 CHED C[C@@H]1Cc2cc(CN(CCC#N)CC(C)(C)C)ccc2O1 1651831139 MNDOFLQZEVYJOO-CQSZACIVSA-N 286.419 3.772 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)CC(C)(C)C1 1658742872 PGTBTFSPEGHOGL-UHFFFAOYSA-N 274.383 3.955 30 20 CHED C=C(Br)CN1CCc2c(Cl)cccc21 1657681564 CNKOQJIGYXTFST-UHFFFAOYSA-N 272.573 3.611 30 20 CHED CSc1ccccc1NCc1cccc(C(=O)O)c1C#N 1599825182 KSNZKFZMOAKQEV-UHFFFAOYSA-N 298.367 3.590 30 20 CHED O=C(O)c1ccc(NN=CCC2CCCCCC2)cn1 1776070779 HOHWPWYFCBCWNT-UHFFFAOYSA-N 275.352 3.538 30 20 CHED CC(C)CN(CC(C)C)C(=O)Nc1cc(C#N)ccc1F 1672620748 PQFUWJMQLLTQHE-UHFFFAOYSA-N 291.370 3.843 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)Nc1sccc1C#N 1678963440 YBMWYPURTFMQBQ-AWEZNQCLSA-N 297.383 3.737 30 20 CHED CC(C)C1CCC(=NNc2ccc(CC(=O)O)cc2)CC1 1776084204 AHWWKQBMLRXBKP-UHFFFAOYSA-N 288.391 3.928 30 20 CHED C=CCCCCN(C)Cc1cc(Cl)cc(C(=O)O)c1 1776174955 NHNDRNMYRLSURA-UHFFFAOYSA-N 281.783 3.826 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC2CCC(C)CC2)C1 1776153809 TUZHDDZJRDNOFD-VMBOVVBDSA-N 279.424 3.556 30 20 CHED CCn1c(NCc2cccc(C#N)c2)nc2ccccc21 158884218 NXFYXQNDWMLJMB-UHFFFAOYSA-N 276.343 3.540 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C(C)=O)cc1F 160426704 CCJLEJTXAJWYPS-UHFFFAOYSA-N 276.307 3.702 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 151053461 PJYDUGBIYUPRBL-QAPCUYQASA-N 299.414 3.743 30 20 CHED CCN(C(=O)c1ccc(F)c(C)c1)c1ccc(C#N)cc1 152013434 HTKCZGAABYJZGL-UHFFFAOYSA-N 282.318 3.673 30 20 CHED CC#CCCSc1nnc(C[C@@H](C)c2ccccc2)o1 154854436 CKXAXMFWRGFROI-CYBMUJFWSA-N 286.400 3.921 30 20 CHED C=CCN(C)C(=O)NCCCc1ccc(C(C)C)cc1 154917574 DYFMEVMDWAUVNQ-UHFFFAOYSA-N 274.408 3.570 30 20 CHED COc1cc(/C=C2\Cc3ccccc3C2=O)cc(OC)c1 6340289 NDPCIXWKTXJJFJ-VGOFMYFVSA-N 280.323 3.526 30 20 CHED N#Cc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)n1 1130316180 DAGYIKYHHKNDJM-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1cc2ccccc2o1 179650231 SAXAWDRELKTLIK-CYBMUJFWSA-N 269.344 3.804 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ccccc1 181412482 WQYZNMPLILDWTD-AWEZNQCLSA-N 260.381 3.573 30 20 CHED CSCC1CCC(NCc2ccc(C#N)c(F)c2)CC1 404054152 KMFYLCKVVBPFIB-UHFFFAOYSA-N 292.423 3.709 30 20 CHED Cc1cc(CNc2ccc(Cl)c(C#N)c2)sn1 404425886 ZKWKYCRLDXSLPY-UHFFFAOYSA-N 263.753 3.589 30 20 CHED N#Cc1cc[nH]c(=NCc2ccc3sccc3c2)c1Cl 516942735 IKRDOMDGKRBATB-UHFFFAOYSA-N 299.786 3.855 30 20 CHED N#Cc1ccccc1CSc1cccc([N+](=O)[O-])c1 313546021 MITJLHNXVDWZSD-UHFFFAOYSA-N 270.313 3.759 30 20 CHED C[C@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 439431526 NIRZPWSMQQHWOX-LBPRGKRZSA-N 262.784 3.834 30 20 CHED COCc1csc(CNc2cc(C)cc(C#N)c2)c1 594742002 ILZZPJIYZNREKR-UHFFFAOYSA-N 272.373 3.687 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CC1CCCCC1 804836795 VVANRNGHUPGDJR-UHFFFAOYSA-N 269.388 3.619 30 20 CHED CCCCCCCCOC(=O)c1ncccc1F 850132917 WRMUHVLEGCNYBV-UHFFFAOYSA-N 253.317 3.738 30 20 CHED C=C(C)CNC(=S)N(CC(=C)C)Cc1ccccc1 794994849 JJKDKEJOAYRTBA-UHFFFAOYSA-N 274.433 3.515 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1c1cccc(C)c1 55002299 YSQBJYOFODNTOZ-OAHLLOKOSA-N 274.433 3.583 30 20 CHED C[C@@H](OC(=O)COc1cccc2ccccc12)C(C)(C)C#N 178818628 FNZUPNLDJBFOAL-CYBMUJFWSA-N 297.354 3.700 30 20 CHED Cc1nnc(N[C@H]2CCc3c(Cl)cccc32)c(C#N)c1C 57147307 JKVIREUUXKKIQO-HNNXBMFYSA-N 298.777 3.718 30 20 CHED N#Cc1csc(C(=O)N(CC2CCCCC2)C2CC2)c1 176971154 RUHCJINHUCJSOU-UHFFFAOYSA-N 288.416 3.805 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N[C@](C)(C#N)C(C)C 116185467 TZACOFVHWQEIMX-WMLDXEAASA-N 272.392 3.543 30 20 CHED C=CCN(Cc1cccc(C)c1)Cc1ccccn1 177645010 VYKLPQUJGFCXSU-UHFFFAOYSA-N 252.361 3.578 30 20 CHED C[C@@H](C#N)OCCSCc1ccccc1Cl 304211971 FJHOWWUUDRFCDB-JTQLQIEISA-N 255.770 3.502 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccccc1C 65775671 IOJHBDCEZUYRQE-UHFFFAOYSA-N 279.383 3.866 30 20 CHED Cc1nc(C)c(CCNc2ccc(C#N)c(Cl)c2)s1 301276593 SFHXXRALPWOYQN-UHFFFAOYSA-N 291.807 3.940 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2cc(F)ccc2C#N)C1 229957309 OTXCZYCZMFKEEX-MLGOLLRUSA-N 260.356 3.708 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc(F)c(F)cc1F 178597400 LDCYTSWUFSNFEH-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CN(C(=O)C1CCCCC1)c1cc(Cl)ccc1C#N 176431303 HNXSZEXHDPWVKY-UHFFFAOYSA-N 276.767 3.755 30 20 CHED Cc1nc(Sc2nccs2)c(Cl)cc1C#N 309261345 PFLZZUHWPJQUAF-UHFFFAOYSA-N 267.766 3.523 30 20 CHED Cc1ccc(CNCC2(CC#N)CC2)cc1Br 430029905 YVGBJGLUTKUISY-UHFFFAOYSA-N 293.208 3.541 30 20 CHED CCc1ccc(N/C(N)=N/CC2(CC)CCC2)cc1 304838292 HXAUNGFPQAQFKC-UHFFFAOYSA-N 259.397 3.556 30 20 CHED C=CCSCCN[C@H](C)C1CCC(F)(F)CC1 474031423 HNKNHTHGZBEMIW-LLVKDONJSA-N 263.397 3.709 30 20 CHED CC1(C)C[C@H](Nc2ccc3cc(C#N)ccc3n2)C(C)(C)O1 302012380 AXMJVIMDPJRDGG-HNNXBMFYSA-N 295.386 3.864 30 20 CHED O=C1/C(=C/c2cc(F)c(F)cc2F)Cc2c(O)cccc21 129991888 TWIKOBMMPKNGBR-RUDMXATFSA-N 290.240 3.632 30 20 CHED CC(C)COc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 185793017 NTOUECNWMJBEAJ-WBVHZDCISA-N 286.419 3.893 30 20 CHED Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c(Cl)c1 434018749 RWEUPKMNODKGDZ-CQSZACIVSA-N 290.794 3.803 30 20 CHED Cn1c([C@@H](C#N)C(=O)CCC2CCCC2)nc2ccccc21 122635606 LXSJIONTRHGIRL-AWEZNQCLSA-N 295.386 3.720 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N(C1CCCC1)C1CC1 75633465 LPHAWDKSECXDJM-FMIVXFBMSA-N 280.371 3.505 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)CC1CCCCC1 410823686 AYBPQTCFOFJCAJ-UKRRQHHQSA-N 264.413 3.744 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 181406047 RYTQLVGJCOMOKL-LSDHHAIUSA-N 294.439 3.522 30 20 CHED CCCCCCCCS(=O)(=O)c1cccc(F)c1 127746652 XQCVMVOIUVAMSQ-UHFFFAOYSA-N 272.385 3.960 30 20 CHED CCCCN(CCCC)C(=O)c1cccc(C#N)c1C 509153714 OSWPAYPMBZRTDT-UHFFFAOYSA-N 272.392 3.909 30 20 CHED C=CCCCCNCc1c(C)nn(-c2ccccc2)c1C 315115202 RQMGWZKDZJJSNW-UHFFFAOYSA-N 283.419 3.935 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1COC 123680789 JGPCISJGDRTTQJ-UHFFFAOYSA-N 259.349 3.540 30 20 CHED C[C@@H](NCCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 180152899 MOLXABIZTBRINT-GFCCVEGCSA-N 286.325 3.730 30 20 CHED CC#CCCCC(=O)N(C)c1ccc(-c2nccs2)cc1 415831405 JOMYDZZIPIYDIR-UHFFFAOYSA-N 298.411 3.967 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)C1=C(c2ccccc2)CCC1 410873035 BLEMYFLLBLDLSG-MRXNPFEDSA-N 282.387 3.679 30 20 CHED N#C[C@@H](CCc1ccccc1)c1nc(C2CCCC2)no1 417265012 YEBWPTBFFOHYQP-OAHLLOKOSA-N 281.359 3.967 30 20 CHED C=CCCC1(C(=O)Nc2ccc(F)c(F)c2C)CC1 414052446 LCYRQHRJEXFUER-UHFFFAOYSA-N 265.303 3.958 30 20 CHED C=CCC[C@@H]1NC(=O)N([C@H](C)c2cccc(C3CC3)c2)C1=O 419967913 OYWOLHRMWZEUTO-WBMJQRKESA-N 298.386 3.512 30 20 CHED CC(C)Sc1ccc([C@H](C)NC(=O)C(C)(C)C#N)cc1 504694336 GZNFTFKMSXRCHN-LBPRGKRZSA-N 290.432 3.914 30 20 CHED CN(C(=O)CCCC#N)[C@H]1CCCC[C@H]1c1ccccc1 416004317 GQXJMEHCXJUMJB-IRXDYDNUSA-N 284.403 3.865 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC=CCC1 77642093 JPSCAKMQNXLXJS-CYBMUJFWSA-N 276.405 3.554 30 20 CHED CC(C)CN(CCCSCC#N)C1CCCC1 342093500 DJCGYTCDEXJTSV-UHFFFAOYSA-N 254.443 3.534 30 20 CHED Cc1[nH]c2ccccc2c1CCN[C@@H]1CCC[C@@H](C#N)C1 185809381 JPMAXVQUMIPZPB-HUUCEWRRSA-N 281.403 3.691 30 20 CHED CCCCCCCCC(=O)NCc1ccc2c(c1)OCO2 43278599 DTCPDCJMPBQSHP-UHFFFAOYSA-N 291.391 3.782 30 20 CHED C=CC[C@@H](C)NC(=O)C(C)(C)c1cccc(Cl)c1 76620239 SZTZJPMRPSLVOQ-LLVKDONJSA-N 265.784 3.698 30 20 CHED C[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)Oc1ccc(Cl)cc1 185846589 AVVMPCSMUCUQCK-KCQAQPDRSA-N 292.810 3.779 30 20 CHED C=C(C)CN(C)C(=O)NCCc1csc2ccccc12 182401868 PMWMPVRKVSUKPP-UHFFFAOYSA-N 288.416 3.661 30 20 CHED C=CCCCC(=O)Nc1cc(C(F)(F)F)ccc1O 175449129 AFLXOKQZSOKTQL-UHFFFAOYSA-N 273.254 3.706 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@@H]1C1CCCC1 44368481 GQWPQYLBEYJMQN-QGZVFWFLSA-N 284.403 3.592 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCC(C)(C)CC#N 414163461 ISNYBAIWJKTVLF-IAQYHMDHSA-N 260.356 3.588 30 20 CHED N#Cc1ccc(CSC[C@H]2CCCO2)c(OC(F)F)c1 419422854 HPKYYAMBGDCCAL-GFCCVEGCSA-N 299.342 3.572 30 20 CHED Cc1ccc2nc(C(=O)N[C@](C)(C#N)C(C)(C)C)ccc2c1 410678786 XUNXNXQJAMEFGM-GOSISDBHSA-N 295.386 3.601 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2ccccc2OC(F)F)C1 193347047 WFDQEXLKKVBKMH-OCCSQVGLSA-N 294.345 3.502 30 20 CHED CCC1CC(=O)C(=CNc2cc(C)ccc2C)C(=O)C1 194955157 PSTOFAIWFLIBTH-UHFFFAOYSA-N 271.360 3.557 30 20 CHED CN(c1ccc(C(F)(F)F)cc1C#N)C1CCC1 133210004 PVNUGETZDDAIJS-UHFFFAOYSA-N 254.255 3.566 30 20 CHED C[C@@H](CC#N)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 194630939 TYCUHAJGGVHTEZ-MNOVXSKESA-N 298.308 3.617 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CC(F)F)c1ccccc1 420923205 WTDVVQHYENSEPY-WCQYABFASA-N 282.334 3.647 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC[C@H](N)C2)cc1C(F)(F)F 420285343 PNZXANHEPQHENX-PWSUYJOCSA-N 297.324 3.506 30 20 CHED N#CCN(C(=O)c1ccc(OC2CCC2)cc1)C1CCCC1 80394992 JRFXXAXWRBZXDG-UHFFFAOYSA-N 298.386 3.526 30 20 CHED OC(C[C@H]1CCCC(O)=N1)=Nc1ccc2ccccc2n1 329309249 BVQCIYKFBIUXSL-GFCCVEGCSA-N 283.331 3.722 30 20 CHED C[C@H]1CC[C@H](/N=C(/O)[C@H]2CCC(=O)c3cccn32)CC1 329865544 UHBSLKOBEOJROC-YRGRVCCFSA-N 274.364 3.541 30 20 CHED CC1CCN(c2cccc(Br)c2C#N)CC1 228703667 MXJKBLZLMJFGNA-UHFFFAOYSA-N 279.181 3.557 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/CCC(C)(C)C2CC2)C1 329312761 CYIMVZGCZSHNBY-JQWIXIFHSA-N 266.385 3.524 30 20 CHED CCN(CC#N)C(=O)c1ccc(-c2ccc(F)cc2)s1 49426845 JKFMRMOMHCLNSV-UHFFFAOYSA-N 288.347 3.540 30 20 CHED N#Cc1cc(Br)ccc1O[C@@H]1C=CCCC1 228329221 CRPWDKRSNVJLQN-GFCCVEGCSA-N 278.149 3.808 30 20 CHED CC[C@@H](CC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(C)cc1 424978939 QNLBBSKKMCJEQW-YQQAZPJKSA-N 284.403 3.687 30 20 CHED CC[C@H](C)CC(=O)N(C)c1cc(Cl)ccc1C#N 191918996 XICDJWRIAXGMES-JTQLQIEISA-N 264.756 3.611 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCOc3ccc(F)cc32)CCC1 191543752 OVYZOXKTQMVSOY-CQSZACIVSA-N 289.350 3.512 30 20 CHED C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 193902217 RVEJBTQZRLCTRW-CHWSQXEVSA-N 295.342 3.878 30 20 CHED C#CCCCC(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 192056076 JASFQLYDUYKOOX-CYBMUJFWSA-N 299.370 3.812 30 20 CHED C[C@@H](CCc1ccc(F)cc1F)N[C@@H]1CC[C@H](C#N)C1 424328802 OSJHTTORVCKGTJ-SLEUVZQESA-N 278.346 3.568 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(F)cc1C#N 193709714 UJIFACALIDJECK-ABAIWWIYSA-N 289.354 3.740 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1ccoc1Br 331130636 OUSXYBUDLNTONQ-LBPRGKRZSA-N 299.168 3.675 30 20 CHED N#Cc1ccc(C[S@@](=O)c2ccc3c(c2)CCCC3)cc1 422098670 MXHNXSDOXHWILI-OAQYLSRUSA-N 295.407 3.745 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 335119655 GEQQSXAYZWNVOO-HOTGVXAUSA-N 291.435 3.541 30 20 CHED N#CCc1ccc(C(=O)N2CCC3(CCCC3)CC2)cc1 336321015 OBJYFYODUYKYDV-UHFFFAOYSA-N 282.387 3.549 30 20 CHED N#CCCNC(=O)c1ccccc1NCCC1=CCCCC1 429455699 QNTMPTSDWWSAQY-UHFFFAOYSA-N 297.402 3.632 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccccc2C#N)C1 335669988 MCNVBGVPXIAHAY-RDTXWAMCSA-N 277.371 3.536 30 20 CHED C[C@@H](CC(=O)N(C)c1ccccc1C#N)c1cccc(F)c1 337886687 WMFPNUXBIMRKLG-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED C[C@H](CNc1cnccc1C#N)Sc1ccccc1 94169812 AEKUTJADEDMFCO-GFCCVEGCSA-N 269.373 3.546 30 20 CHED C=CCN(CCSC(C)C)Cc1ccc(OC)cc1 513896459 YJECXLUUDDKMGH-UHFFFAOYSA-N 279.449 3.825 30 20 CHED C=CCC(C)(C)C(=O)N(CC)CCc1ccccc1 429886372 GDDCYCDNJJHGJM-UHFFFAOYSA-N 259.393 3.680 30 20 CHED Cc1nc(-c2nc(-c3occc3C(C)C)no2)ccc1C#N 426202405 USKGFNHVSQMEIF-UHFFFAOYSA-N 294.314 3.695 30 20 CHED C=CCn1c(N2CCC[C@@H]2C2CCC2)nnc1C(C)(C)C 517626736 IMYILOGWKRAFCX-CQSZACIVSA-N 288.439 3.531 30 20 CHED C=CCCSCc1nnc(Cc2ccccc2C)o1 339090466 MUGMFSWBJUYZOO-UHFFFAOYSA-N 274.389 3.778 30 20 CHED C=CCC(CC=C)c1nc(-c2cc(C)nc(OC)c2)no1 339151073 FCWJCNRLTYAVLP-UHFFFAOYSA-N 285.347 3.684 30 20 CHED CC1CCC(C)(N/C(O)=N/[C@H](C)c2cccc(O)c2)CC1 331190668 VEBRPABJFIFBHR-UIORMTCPSA-N 290.407 3.926 30 20 CHED Cc1cccc2c(C(=O)NC3(C#N)CCCCC3)coc12 332243391 AEJRMKCTESUBNR-UHFFFAOYSA-N 282.343 3.698 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 145713656 XVYXUSIAKPLCKF-HZPDHXFCSA-N 296.757 3.954 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(C#N)s2)cc1 336205617 RPMIGAAZTGTTIW-GFCCVEGCSA-N 284.384 3.761 30 20 CHED C=CCN(CCC#N)[C@H](C)CCc1cccc(F)c1 430101711 NMZUFEBHAGRXHN-CQSZACIVSA-N 260.356 3.548 30 20 CHED CC[C@@H](/N=C(/O)c1cc(C(C)(C)C)on1)C(C)C 330862693 AGBOSQHIHSRDAJ-SNVBAGLBSA-N 252.358 3.711 30 20 CHED COc1cc(C(=O)/C=C\c2ccccc2Cl)ccc1O 96792743 NIHNZOGKXLNJOY-VURMDHGXSA-N 288.730 3.950 30 20 CHED N#CCCCOc1cccc(NCC2CC(F)(F)C2)c1 295785051 BEHUDSXARYFDBC-UHFFFAOYSA-N 280.318 3.826 30 20 CHED Cc1occc1CN(C)Cc1ccc(N(C)CCC#N)cc1 92438707 DHSBKWOCBIUXAB-UHFFFAOYSA-N 297.402 3.570 30 20 CHED N#Cc1ccc(NC(=O)N2CCCC3(CCCC3)C2)cc1 526088216 SPPVQCIIJCSWCX-UHFFFAOYSA-N 283.375 3.746 30 20 CHED CC(C)(C)CCN[C@H]1CCCc2cc(C#N)ccc21 341760815 MIXJXOKIAHLXGB-INIZCTEOSA-N 256.393 3.961 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2scc(C)c2C#N)cc1 344923160 HSGZJXKFAMNQEW-UHFFFAOYSA-N 298.367 3.773 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(CC#N)cc1 343541982 SWUGUZHRJKZAJS-UHFFFAOYSA-N 269.392 3.514 30 20 CHED Cc1ccc(C2(CNCc3ccc(C#N)o3)CCC2)cc1C 433210626 VKOZQMHOMYLXKK-UHFFFAOYSA-N 294.398 3.980 30 20 CHED N#CCCSCc1cc(O)cc(C(F)(F)F)c1 603333086 CVNKFJUXNJUFPX-UHFFFAOYSA-N 261.268 3.558 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCc3ccccc32)C1 249053957 YHDIFABYYNBVTN-FRFSOERESA-N 254.377 3.736 30 20 CHED N#CCc1ccccc1NC(=O)c1cc2c(F)cccc2[nH]1 521074928 HOXUNZUBMIMLHY-UHFFFAOYSA-N 293.301 3.625 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2ccccc2n1 343251004 OZKDHUAJAHEMDE-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED C=CCCC1(c2nc([C@H](C)SCC)no2)CC1 346887428 SUJLNPBBVDTJNX-JTQLQIEISA-N 252.383 3.882 30 20 CHED C=CCC1(CN[C@H](C)CC2(C#N)CCOCC2)CCCC1 602682370 DGWYUSSDDWJPOA-MRXNPFEDSA-N 290.451 3.811 30 20 CHED N#Cc1ccc(CNCCc2c[nH]c3cc(F)ccc23)s1 343953098 NFPLZQNBKOZQBK-UHFFFAOYSA-N 299.374 3.572 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(C)c1cccc(C#N)c1 604439165 UXUXAGJNOSBDBH-ZFWWWQNUSA-N 270.376 3.737 30 20 CHED Cc1ccccc1O[C@@H](C)CNc1snc(C)c1C#N 342263390 FQUCRVZDSBBAFV-NSHDSACASA-N 287.388 3.511 30 20 CHED Cc1oc2ccccc2c1CNc1cc(C#N)ccn1 342871090 NEROKLLGMHSVMU-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C[C@@H](NCc1cccc(OCC#N)c1)C1CCCCC1 52333540 QITJOWAOAQNCDZ-CQSZACIVSA-N 272.392 3.647 30 20 CHED Cc1cccc(C2=CCN(CC3(CC#N)CC3)CC2)c1 602797812 LXBUKPWHXUFDHD-UHFFFAOYSA-N 266.388 3.778 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(F)cn1 346267228 UATHIFFCXXPDLF-UHFFFAOYSA-N 297.377 3.751 30 20 CHED C[C@H](CCC#N)CN1CCCSc2ccccc21 602668634 DPXPZMKBRRAKFB-CYBMUJFWSA-N 260.406 3.929 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1C#N 255137559 UMIFUCGCCOXFPR-VURMDHGXSA-N 277.323 3.771 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 529392908 FUUUXGDHQRXVQW-UONOGXRCSA-N 278.440 3.990 30 20 CHED N#CC[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 600177265 JDFYREIWMJEDHO-AWEZNQCLSA-N 296.336 3.874 30 20 CHED C[C@@H](CN(C)C(=O)CC(C)(C)C#N)C1CCCCC1 600477379 UTBPDWAMMCGXOJ-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H]1CC 448819007 RRVXYAQFANSIQB-MSOLQXFVSA-N 296.414 3.899 30 20 CHED CC[C@H](C)Oc1ccccc1/C=C\C(=O)O[C@H](C#N)CC 255236421 FNSKFUYMTZXECP-KGJDTDPESA-N 287.359 3.722 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCC[C@@H]1c1ccccc1 602729354 IPODYZIRBVQXHO-USXIJHARSA-N 256.393 3.852 30 20 CHED Cc1cc(CNc2cccc3ccn(C)c23)ccc1C#N 443992527 ZMVFPQMQENCZHO-UHFFFAOYSA-N 275.355 3.971 30 20 CHED C[C@H](CCC#N)CN(C)Cc1cccc(Br)c1 602442117 VMNSVHFKDVGJEI-GFCCVEGCSA-N 295.224 3.821 30 20 CHED Cc1ccnc(-c2ccc(N=Cc3ccccc3O)cc2)n1 255728884 SZBUQMZPYPEUQG-UHFFFAOYSA-N 289.338 3.908 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)NCC1(C#N)CCC1 600022038 LFDQTIPRLNNUHT-UHFFFAOYSA-N 294.354 3.679 30 20 CHED CC(=O)c1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 359902233 QOJFATQFSUCKKR-LBPRGKRZSA-N 292.338 3.503 30 20 CHED C[C@@H](CCC1CC1)NC(=O)C[C@@H](CC#N)c1ccccc1 356777180 KJKLIBOYCIBYLR-WMLDXEAASA-N 284.403 3.769 30 20 CHED N#CCCCCNCc1cnc(CCc2ccccc2)s1 449132050 RLADZZQCPJEBGM-UHFFFAOYSA-N 299.443 3.712 30 20 CHED Cc1ccccc1[C@@H]1CN(C[C@@H](C)CCC#N)[C@H](C)CO1 602475166 XIFCVSTUADEVJH-LESCRADOSA-N 286.419 3.697 30 20 CHED CC[C@H](F)CNc1ccc(C#N)c(C(F)(F)F)c1 442144884 YTAIRNLSFOTRKP-VIFPVBQESA-N 260.234 3.737 30 20 CHED N#Cc1ccc(Nc2nc(-c3nccs3)cs2)cc1 447162737 LJLQLQMMOAIZPC-UHFFFAOYSA-N 284.369 3.882 30 20 CHED CC1(NC(=O)N[C@@H](CCC#N)c2ccccc2)CCCC1 269701828 PUMBJAPOSDIOHH-HNNXBMFYSA-N 285.391 3.663 30 20 CHED C#C[C@@H](CCC)NC(=O)c1oc2ccc(Cl)cc2c1C 700592183 HNTQAWILYZSUTP-LBPRGKRZSA-N 289.762 3.926 30 20 CHED C=CCC1(C(=O)N(C)CCc2ccccn2)CCCCC1 448812074 MYNQMNAZOFANPR-UHFFFAOYSA-N 286.419 3.609 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 448667464 XPLKWMFGGBJUBR-HUUCEWRRSA-N 287.407 3.530 30 20 CHED Cc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610317176 BYQCXAOJUSPKPP-CYBMUJFWSA-N 279.343 3.749 30 20 CHED COc1ccc2[nH]cc(CCNCC(C)(C)CCC#N)c2c1 610270978 KYWCKCIKJKRCGX-UHFFFAOYSA-N 299.418 3.639 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1csc(C(C)(C)C)n1 263985925 MCNNWDLSRDOWEP-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CN(CC(C)(C)C)c1c(C#N)cnc2c(F)cc(F)cc12 352328959 KAJCJNPIBXOKIH-UHFFFAOYSA-N 289.329 3.867 30 20 CHED CCCN(C(=O)[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 531043583 XRIXNCOZOUQYPN-OLZOCXBDSA-N 284.359 3.892 30 20 CHED COc1cc(CN[C@H]2C[C@H](c3ccccc3)C2)ccc1C#N 441350303 AICURLAKECOEIE-IYARVYRRSA-N 292.382 3.603 30 20 CHED Cc1ccccc1CCNC1CCC(C)(C#N)CC1 449059912 REKQUSKWXUQNHW-UHFFFAOYSA-N 256.393 3.600 30 20 CHED C=CCOc1ccc(CN2[C@@H](C)CC[C@@H]2C)cc1OC 354990252 QTGIGVYRRHGTCS-KBPBESRZSA-N 275.392 3.633 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@]1(C#N)C[C@@H]1C 448962699 SGJBFHDVXJNAIM-QILLFSRXSA-N 284.403 3.748 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc(-c3ccco3)cc2F)C1 442864166 YZFBTJXHGZTQIG-WFASDCNBSA-N 284.334 3.868 30 20 CHED C=C(C)CSCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 447030409 USBVSVHLTGTEMJ-MRXNPFEDSA-N 295.423 3.948 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C)n1C 352211953 WRPOAUKWLPSTFV-UHFFFAOYSA-N 282.387 3.552 30 20 CHED N#Cc1ccncc1NCCSc1ccc(Cl)cc1 354562578 PCGRNMWBIOUWES-UHFFFAOYSA-N 289.791 3.811 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H](C)C1CCCC1 610521205 BXHQLMSDAQEMED-CQSZACIVSA-N 264.413 3.601 30 20 CHED Cc1ccc(CCCN[C@H](CCC#N)c2ccccc2)cn1 354573659 SAZAFDAENUCDTM-LJQANCHMSA-N 293.414 3.957 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)c1cc(C)oc1C 353161355 CLEZJCDBHPPADQ-YPMHNXCESA-N 264.369 3.611 30 20 CHED CCC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCC1 537407710 YNJGNDMXNLPGHP-GFCCVEGCSA-N 260.356 3.928 30 20 CHED Cc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c(C)n1 611476151 OOIZAXBLYAPMFX-OAHLLOKOSA-N 291.398 3.910 30 20 CHED C=CCC1(NC(=O)Cc2ccc(C(C)=O)cc2)CCCCC1 456389253 XOTVQDYHIYIZEY-UHFFFAOYSA-N 299.414 3.827 30 20 CHED COc1ccsc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 618802473 DXYOVNHUBDCRDB-ABAIWWIYSA-N 298.411 3.966 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(C(F)F)CCCC2)C1 617779060 UHMQJURPYFXUCV-LBPRGKRZSA-N 271.351 3.627 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn([C@H](C)CC)c1C 361295740 QAYYNLOJDUXZNX-ABAIWWIYSA-N 263.385 3.703 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(CCC(F)(F)F)c1 450074346 KZFJUUQZWVSTJB-HZMBPMFUSA-N 296.292 3.670 30 20 CHED C=C(CC)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 536891154 WVIXOWSORKRTAC-UHFFFAOYSA-N 275.236 3.769 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(C(C)C)nc2C)n1 453597689 ZARYQIGQWXDPKI-ZDUSSCGKSA-N 299.399 3.768 30 20 CHED CC(C)[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccncc1 456760538 WZZMYGJIHXPAAT-QGZVFWFLSA-N 293.370 3.526 30 20 CHED C=C(C)CCNC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 458994437 GFGYYDHTBRESHL-BFYDXBDKSA-N 286.419 3.929 30 20 CHED CCCOc1ccc(C(C)(C)NC(=O)CCCC#N)cc1 362186792 BYOBANJPRVOSEV-UHFFFAOYSA-N 288.391 3.521 30 20 CHED CC1(C)Cc2cccc(CN3CCC(CC#N)CC3)c2O1 542849705 HUXMNOKGBSDYCV-UHFFFAOYSA-N 284.403 3.526 30 20 CHED C=CC1CCN(C(=O)N[C@H](c2ccccc2)C(F)F)CC1 455595367 JMSHTXJOMGPZNT-CQSZACIVSA-N 294.345 3.600 30 20 CHED Cc1nsc(Sc2ccc(F)cc2F)c1C#N 360879240 CQVBEBGMFJBSIC-UHFFFAOYSA-N 268.313 3.753 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@H](C(C)(C)C)C1 543175346 NNAABHFRWCUKMH-AWEZNQCLSA-N 287.403 3.760 30 20 CHED C=CCC1(NC(=O)[C@H](CC)SC)CCCCC1 456368064 ONCBBUPUDCSBLI-LBPRGKRZSA-N 255.427 3.523 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CCc2sc(Cl)cc21 454996801 OSCSOXCAIHNTRS-SNVBAGLBSA-N 284.812 3.654 30 20 CHED CC1(C)CCN(c2ccc3cc(C#N)ccc3n2)CC1 540078245 KHFHGVQZCAXFDC-UHFFFAOYSA-N 265.360 3.733 30 20 CHED C[C@@H](Nc1nc2ccccn2c1C#N)c1c(F)cccc1F 360144797 QOHMKHLCUPWPEP-SNVBAGLBSA-N 298.296 3.657 30 20 CHED C=C(CC)CNC(=O)Nc1cc(C)cc2cccnc12 455058906 ZSHZMZHMXLAJTK-UHFFFAOYSA-N 269.348 3.631 30 20 CHED CCC[C@H]1SCCN1C(=O)c1ccc(Cl)c(C#N)c1 540885086 XICRUISMGMHYPF-CYBMUJFWSA-N 294.807 3.527 30 20 CHED C=CCC1(C(=O)NCc2ccc3c(n2)CCCC3)CCCC1 451212025 NVXVDWYNBLXUEW-UHFFFAOYSA-N 298.430 3.713 30 20 CHED C=CCCCC(=O)N1C[C@@H]2CCCCN2c2ccccc21 360051602 GNWSYXIDPMRTAE-HNNXBMFYSA-N 284.403 3.748 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(Br)c1C 454699449 UXDZKIPPEFSPGQ-UHFFFAOYSA-N 297.196 3.845 30 20 CHED C=CCN(C(=O)Nc1ccc2cnn(C(C)C)c2c1)C1CC1 271636266 ZMGMPKGNMBHTDL-UHFFFAOYSA-N 298.390 3.800 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)CC1(C#N)CCC1 451030157 MWLQOYMIAHNALG-HNNXBMFYSA-N 272.392 3.772 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N1CCC(CC#N)CC1 541048882 DPTGMADVWSQLDY-INIZCTEOSA-N 276.424 3.745 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(SC)ccc1C 271967261 ZNQDABZIJINUAA-LBPRGKRZSA-N 279.405 3.637 30 20 CHED C=CCCCCCN[C@@H]1CCCC12CCOCC2 375705929 HZTXASQYBQGSLR-OAHLLOKOSA-N 251.414 3.672 30 20 CHED CC[C@@H](N[C@@H]1CCc2c(O)cccc21)c1ccc(C#N)cc1 278358926 BHNHSVPQDCCLRH-QZTJIDSGSA-N 292.382 3.992 30 20 CHED C#CCC1(C(=O)Oc2cccc(NC(C)=O)c2)CCCCC1 276386868 XMIACRNGWBNWDM-UHFFFAOYSA-N 299.370 3.524 30 20 CHED CC(C)n1ncnc1CS[C@H](C)c1cccc(C#N)c1 278736868 PZKITAZKIUSDBM-GFCCVEGCSA-N 286.404 3.725 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NCC#Cc1ccccc1 542571577 ZXIVFDAPARMRET-OAHLLOKOSA-N 271.404 3.617 30 20 CHED Cc1ccccc1[C@H](N[C@@H]1CC[C@H](C#N)C1)C1CC1 274631236 OWQBVMQEIZEASG-YSVLISHTSA-N 254.377 3.728 30 20 CHED C=CC[C@H]1CCN(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)C1 624377853 BPFSCCUVSBUPKM-USXIJHARSA-N 284.403 3.540 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H]1C1CCCC1 540466281 CMZYHQUYCKRSTN-QGZVFWFLSA-N 293.451 3.931 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)CC(F)(F)F)c1ccccc1 464275464 YOTJNGJMQFTNER-RYUDHWBXSA-N 285.309 3.803 30 20 CHED Cc1cccc([C@H]2CCCN2c2cc(C#N)ccn2)c1 286250771 IUTOZDHFBAMLDA-MRXNPFEDSA-N 263.344 3.603 30 20 CHED CC(C)(C#N)CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 286075823 JJFBJKNNPOKDSD-BRWVUGGUSA-N 296.414 3.721 30 20 CHED C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 559073794 IRFNXFFOUMYCRE-LBPRGKRZSA-N 296.336 3.920 30 20 CHED CN(C(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCCC1 282888731 DHJMJCQVLSBGJW-UHFFFAOYSA-N 297.402 3.517 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 466128613 LUVBEILJVKPLSK-SQWLQELKSA-N 283.375 3.649 30 20 CHED CC(C)C(C)(C)NCc1cccc(OCCCC#N)c1 553771758 IQLZVROTOSQMSS-UHFFFAOYSA-N 274.408 3.893 30 20 CHED CC#CCCCC(=O)Nc1ccc(CN(C)C)c(Cl)c1 280209633 NBRCNCQMHHCKSX-UHFFFAOYSA-N 292.810 3.534 30 20 CHED C=CCCCC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 288224020 FBNVMMGPPXJYCR-INIZCTEOSA-N 275.392 3.961 30 20 CHED CCc1ccccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 550748359 RQSCNQZNIHXCQQ-SFHVURJKSA-N 284.403 3.841 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)c1ccc2ccccc2c1 285576289 UTOCTFQTRQUFFA-KRWDZBQOSA-N 266.344 3.742 30 20 CHED C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1C 280067123 IOACOTFAZHACKZ-ZIAGYGMSSA-N 284.403 3.748 30 20 CHED CCC(C)(C)c1ccc(NC(=O)NC[C@@H](C)C#N)cc1 556102017 MISRTTLLFOUAJD-LBPRGKRZSA-N 273.380 3.655 30 20 CHED CC[C@H](C)CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 285563372 TZTOYBWVDKDICZ-AWEZNQCLSA-N 284.403 3.876 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CC1CC1)c1ccccc1 280620352 KYBXEXPVGLRVHP-UHFFFAOYSA-N 280.327 3.517 30 20 CHED C=CCCCN(C)C(=O)C1(Oc2ccc(Cl)cc2)CC1 555887467 KGWOPLZCGPFZPA-UHFFFAOYSA-N 293.794 3.676 30 20 CHED C=CCC[C@H](C)Nc1cc(OC)cc(-n2cccn2)c1 475342917 MPJXDYLSJJQLIS-ZDUSSCGKSA-N 271.364 3.648 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCC12CCCC2 556178913 PCDNTMHWDDSMMB-PMPSAXMXSA-N 263.425 3.670 30 20 CHED C=C(Cl)CN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 292031322 DJVPKXMYPUMZJQ-IUODEOHRSA-N 283.774 3.636 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1ccn(CC)c1 806004709 MNPABWZROPZLDQ-UHFFFAOYSA-N 291.439 3.786 30 20 CHED CC(=NOCc1ccccc1)c1cc2c(C)nn(C)c2s1 807961855 IOGXRRNIBCHMOX-UHFFFAOYSA-N 299.399 3.884 30 20 CHED C[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 471022400 MZFSNLTUDDWHRN-BEFAXECRSA-N 292.382 3.630 30 20 CHED C#CCC(C)(C)C(=O)OCc1cccc(-c2ccccn2)c1 800975720 JCLGTLWEBGAJHZ-UHFFFAOYSA-N 293.366 3.841 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=CC(C)(C)CCC#N 807989068 JVVZQMGMPWACAV-UHFFFAOYSA-N 274.324 3.631 30 20 CHED C[C@H]1CCCCN1Cc1ccc(NC(=O)CCCC#N)cc1 292625176 NSCMIWZNZYNRMK-HNNXBMFYSA-N 299.418 3.693 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 474086636 AHAWDDDEUFAVJJ-ZIAGYGMSSA-N 284.469 3.658 30 20 CHED C#CCCCCC(=O)N1CCC(C)(C)c2ccccc21 809359824 ZBPLYGZWWMNVQR-UHFFFAOYSA-N 269.388 3.895 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)C(=O)[C@@](C)(C#N)CC 290060133 JIJCTJCQWCDPDY-DOTOQJQBSA-N 288.391 3.545 30 20 CHED C=CCOc1ccc(CN[C@@H]2CS[C@H](C(C)C)C2)cc1 567399553 IQRWFODTIMRNLB-RDJZCZTQSA-N 291.460 3.871 30 20 CHED C#C[C@H](Nc1ncncc1Cl)c1ccc(Cl)cc1F 804808032 MFYVSNVARMURKX-LBPRGKRZSA-N 296.132 3.709 30 20 CHED COc1c(C)ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1C 298363086 RKGJCKSTVYLTGF-SFHVURJKSA-N 298.386 3.725 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@]1(C#N)C[C@@H]1C)CCC2 568951049 XXGLTVIXLXVTRQ-IXDGSTSKSA-N 296.414 3.853 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC(F)(F)C2)CCCCC1 649163334 YDLXDFZNHJOTKR-LBPRGKRZSA-N 271.351 3.817 30 20 CHED COCc1ccccc1/C=C(/C)C=NOCC1CC1 814244032 XWHBCSNMZNUZNU-BTTZNLARSA-N 259.349 3.649 30 20 CHED C=CCSCCNCc1ccc2ccccc2c1O 816548433 HPJQNQQQSASOGA-UHFFFAOYSA-N 273.401 3.554 30 20 CHED c1ccc([C@H]2CCC(=NNC[C@@H]3CCSC3)C2)cc1 814935344 KUDMIBJHKINQAR-ZFWWWQNUSA-N 274.433 3.653 30 20 CHED O=[N+]([O-])c1cccc(NN=CCC2CCCCC2)c1 814694327 FSTSAKLUSNWGPK-UHFFFAOYSA-N 261.325 3.963 30 20 CHED CC(C)(C)CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813217620 NTDYTMJICQHJMJ-JTQLQIEISA-N 284.281 3.713 30 20 CHED CC1(C)CC(=NNc2ccc([N+](=O)[O-])cc2Cl)C1 814832561 IEKBDSKMKPJSNM-UHFFFAOYSA-N 267.716 3.836 30 20 CHED Cc1ccc2c(c1)CCN([C@H](C)c1ccc(C#N)cc1)C2 483969789 ABXOHEPLTYBPKZ-OAHLLOKOSA-N 276.383 3.986 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2cc(C)ccc2C1 480988924 JJTBYRJFRPRSCI-UHFFFAOYSA-N 269.388 3.648 30 20 CHED CC(C)(CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C1CC1 815898116 SYZNGXWFUKQFLF-LBPRGKRZSA-N 281.359 3.565 30 20 CHED C=CCCn1cc(CN[C@@H](C)c2cccc(C3CC3)c2)nn1 653712174 ONAIORZDOYLOSH-AWEZNQCLSA-N 296.418 3.582 30 20 CHED CCc1nc(C(C)C)ccc1COc1ccc(F)nc1C#N 814765922 BJHOUXOEJSPTES-UHFFFAOYSA-N 299.349 3.752 30 20 CHED CCOc1ccccc1/C=C1\Cc2ccc(C#N)cc2C1=O 811695903 NTSXYBCKHTWVNI-LFIBNONCSA-N 289.334 3.779 30 20 CHED C=CCC(C)(C)CNC(=O)c1scnc1C(C)(C)C 489799840 KYAOQDRPAJWXTF-UHFFFAOYSA-N 280.437 3.773 30 20 CHED CC(C)(CC1CCCCCC1)NC(=O)NCC1(C#N)CC1 572461254 GOMIGZDNRJOTEQ-UHFFFAOYSA-N 291.439 3.728 30 20 CHED CSc1ccc(C(C)=NOC/C=C\Cl)cc1 811669712 SLVPLKZDADNJIF-YGPGCOJDSA-N 255.770 3.902 30 20 CHED C#C[C@H](/N=C/c1cc(OC)ccc1O)c1ccc(Cl)cc1 811625732 UQSJFNNKOOJYJV-ZVCOJXFSSA-N 299.757 3.848 30 20 CHED N#CC1(CSCc2nnc(-c3ccccc3)o2)CCC1 572264672 ANYNZHIQEAWDSN-UHFFFAOYSA-N 285.372 3.664 30 20 CHED N#Cc1ccc(Cl)cc1NCC[C@]1(O)C[C@H]2CC[C@H]1C2 488519964 RQKVHFRMTHJJAQ-RBOXIYTFSA-N 290.794 3.565 30 20 CHED C=CCCNC1CCC(N(C)Cc2ccccc2)CC1 658115360 UWSFTKHQCYLGRV-UHFFFAOYSA-N 272.436 3.595 30 20 CHED C=CC[C@@H]1CC[C@H](NC2(c3noc(C(F)F)n3)CCC2)C1 651815819 NZPULHNMFBPEIS-MNOVXSKESA-N 297.349 3.721 30 20 CHED COCCON=C(C)c1sc(-c2ccccc2)nc1C 814865264 SFMKYQCUKKXJMJ-UHFFFAOYSA-N 290.388 3.506 30 20 CHED Cc1cc(C)c2c(c1)OCCC2=NN[C@@H](C)c1ccncc1 819814586 CGCVAFJJNJCOSF-AWEZNQCLSA-N 295.386 3.536 30 20 CHED C=CCCCCCCCNC(=O)/C=C/c1cncc(F)c1 813257255 VUGNQLXIVVOVOB-MDZDMXLPSA-N 290.382 3.877 30 20 CHED C=CCCCCCCCN[C@@H](C)c1nccnc1C 810243141 MBCXRSVZZLJGFB-AWEZNQCLSA-N 261.413 3.962 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1ccc2[nH]ccc2c1 811667180 PDONYFPMXGYURR-AWEZNQCLSA-N 293.370 3.559 30 20 CHED Clc1cccc(Cl)c1C=NNC[C@@H]1CCSC1 811660743 UAJJHYYMQUVUHB-VIFPVBQESA-N 289.231 3.670 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc2c(c1)-c1ccccc1C2 728874265 UAASFQHUANBHEO-ZDUSSCGKSA-N 290.366 3.632 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(CC(F)(F)F)cc1 815685786 HSUCCHQZHNKHEX-UHFFFAOYSA-N 293.235 3.941 30 20 CHED CCC(=NN[C@@H](C)COC)C12CC3CC(CC(C3)C1)C2 811646836 NVSJUSYTXYZBEW-ORVZXPRGSA-N 278.440 3.593 30 20 CHED C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)CC)cc1OC 729078113 JVHUTBFLZVNPEJ-KJJQSCHISA-N 290.359 3.615 30 20 CHED C=CCCOC(=O)CCCCOc1cccc(C)c1 729074269 NTDITIQNEBKBOS-UHFFFAOYSA-N 262.349 3.663 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCc1cccc(Cl)c1 494185135 HRBQJFZLNHJNCX-OAHLLOKOSA-N 292.810 3.633 30 20 CHED C#CCO[C@H](C)C(=O)Nc1ccc(SC(C)(C)C)cc1 823007185 LMAWVSKYZYHCLE-GFCCVEGCSA-N 291.416 3.554 30 20 CHED CC#CCCNCc1ccc(-c2cccc(F)c2C)o1 499207916 AXTGFWHFPSQLFN-UHFFFAOYSA-N 271.335 3.897 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1OC(C)C 490062717 YIBJDOFLOGHHOH-UHFFFAOYSA-N 284.359 3.714 30 20 CHED N#Cc1ccc(SCc2ccccc2OC(F)F)nc1 495270643 AHXOKDOOPDUSTR-UHFFFAOYSA-N 292.310 3.847 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(C)c3cn[nH]c23)C1 666054627 HIXHCTBGGGOUGY-ZDUSSCGKSA-N 298.390 3.691 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(O)c(C)c1 729145548 ULUARCLZHDOFNI-UHFFFAOYSA-N 282.387 3.647 30 20 CHED C/C=C(/C=C\C(=O)Nc1cccc(CC#N)c1)CC 492965098 VJQOFMLEQIZOKA-HLQKFELGSA-N 254.333 3.604 30 20 CHED CCCC[C@@H](CCC)N[C@@H](C(=O)O)c1cccc(C#N)c1 829284512 CPKXVDJEYIMGBK-HZPDHXFCSA-N 288.391 3.632 30 20 CHED C=CCN(CCc1ccco1)C(=O)CCc1ccccc1C 490272609 KGSLEAGRCIBRBR-UHFFFAOYSA-N 297.398 3.778 30 20 CHED C=CCN(Cc1cccs1)C(=O)Cc1cccc(C)c1 588355583 GPJIASJJDFTSHJ-UHFFFAOYSA-N 285.412 3.814 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(O)c(Cl)c1 588480310 ZBUKDVLMTOHFMK-RJRFIUFISA-N 292.693 3.786 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ncnc3sccc23)o1 732766232 VBHUWVHORDOZIG-CABZTGNLSA-N 298.371 3.854 30 20 CHED C=CCOC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 730377289 ROPJXTHHVUGZFB-UHFFFAOYSA-N 297.141 3.522 30 20 CHED C#CCO[C@@H](C)c1nc([C@@H](c2ccc(C)cc2)C(C)C)no1 834737119 IAHIYEQAWOSVKX-GOEBONIOSA-N 298.386 3.877 30 20 CHED C#CC[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1 831237639 OKBSNWFKDKXVHB-KRWDZBQOSA-N 294.398 3.731 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)CCCCCC#N 588722947 KUEPJRQTYJIMOK-AWEZNQCLSA-N 264.413 3.888 30 20 CHED CCCSCC(C)=NNc1ccnc(Cl)c1 901263233 WFZUDHLLCSNIHV-UHFFFAOYSA-N 257.790 3.666 30 20 CHED Cc1nsc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c1C#N 587981521 ZLIZAPUGPJUXRA-AAEUAGOBSA-N 293.436 3.576 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1cnnc2ccccc12 734299813 VIXZALHINNPNOJ-UHFFFAOYSA-N 292.317 3.531 30 20 CHED CC[C@@H](NC[C@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 903017266 RENUEFOMKLFTSV-DOTOQJQBSA-N 286.419 3.804 30 20 CHED CCn1cc(/C=C\C(=O)c2csc(Cl)c2)cn1 588559045 VRZPNCVDDCAJDL-ARJAWSKDSA-N 266.753 3.514 30 20 CHED CON=C1CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 834939076 YZRBSJZGZHZNGA-TZMCWYRMSA-N 296.411 3.579 30 20 CHED Cn1nccc1C=NN(c1ccccc1)c1ccccc1 914556359 ZONHPROHBVXRTG-UHFFFAOYSA-N 276.343 3.592 30 20 CHED N#CC1(CCCCOC(=O)/C=C/c2cccnc2)CCC1 910180740 YALZDOFTHJJYFV-VOTSOKGWSA-N 284.359 3.502 30 20 CHED C=CC(C)(C)COC(=O)c1csc(-c2ccoc2)n1 835724323 IRTHUTMOFNKQKH-UHFFFAOYSA-N 277.345 3.772 30 20 CHED CC(C)(C#N)CNC(=O)Nc1ccc2c(c1)CCCCC2 593271459 CGSDJZUHACMYCI-UHFFFAOYSA-N 285.391 3.627 30 20 CHED Cc1ccc(C2(C(=O)N3CCC(C)(C#N)CC3)CCC2)cc1 591776817 BAKOSRMXQKEWSG-UHFFFAOYSA-N 296.414 3.569 30 20 CHED Cc1c(C(=O)N2CC[C@@H]3C[C@H]3C2)sc2ccc(C#N)cc12 598329557 KASMRSFDPBVBCA-OLZOCXBDSA-N 296.395 3.563 30 20 CHED C/C=C\c1ccc(OCC2(CC#N)CC2)c(OC)c1 596239933 QHXOGACACMCBJI-ARJAWSKDSA-N 257.333 3.801 30 20 CHED C=C(CN[C@@H](C)c1cnc(C)s1)c1ccccc1 677754529 FLEBEACHSIDBAS-LBPRGKRZSA-N 258.390 3.816 30 20 CHED C=C(Cl)CN1CCC[C@@H]1c1cccc(N(C)C)c1 743854330 UFEXJUYGHQMDOX-OAHLLOKOSA-N 264.800 3.642 30 20 CHED C=C(CN[C@@H](C)c1ccc2nc(O)oc2c1)c1ccccc1 671744008 POIHJVKFSHGHTC-ZDUSSCGKSA-N 294.354 3.897 30 20 CHED C=CCN(CCc1ccco1)C[C@H]1CCOc2ccccc21 679364735 LQKFXOCJDAXRTK-MRXNPFEDSA-N 297.398 3.876 30 20 CHED N#Cc1cccc(CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)c1 596741894 QXKNGVFPMPNCDP-IYARVYRRSA-N 296.414 3.781 30 20 CHED N#CC1CCC(CNC(=O)c2ccc(C3CC3)cc2)CC1 597616631 HXZZIGINBOCHQD-UHFFFAOYSA-N 282.387 3.624 30 20 CHED CCC1CCC(CNC(=O)N2CCC[C@H](CC#N)C2)CC1 595506752 LHSPQXFXKGZRLS-UYSNPLJNSA-N 291.439 3.538 30 20 CHED CCCCCCCC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 915631030 XDDMXKROWCKFQD-JKSUJKDBSA-N 282.472 3.584 30 20 CHED CCC(=NOCc1cccnc1)c1cc(F)ccc1F 746586420 YHYRNOIGWDGVMY-UHFFFAOYSA-N 276.286 3.691 30 20 CHED CC(=NNc1oc(CC(C)C)nc1C#N)c1ccc(C)cc1 745613558 IJINGYWKHYRQKV-UHFFFAOYSA-N 296.374 3.889 30 20 CHED C=CCCNC(=O)Nc1ccc(CSCC)cc1 596929237 BXEKVLXWYNOIOB-UHFFFAOYSA-N 264.394 3.637 30 20 CHED C#CCN(CC)C(=O)N[C@@H](c1ccccc1)C(CC)CC 919906026 RCHQKAVVKOINAT-QGZVFWFLSA-N 286.419 3.829 30 20 CHED COc1ccccc1C=NNc1nccc2sccc12 915980076 NBFOATFCZJPRKW-UHFFFAOYSA-N 283.356 3.751 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)N1CCCc2ccccc21 917953239 WXEJLIINGHJEFW-LBPRGKRZSA-N 295.835 3.840 30 20 CHED C[C@@H](SCc1cc2n(n1)CCC2)c1cccc(C#N)c1 593193058 ODTHYPJHSGECBL-GFCCVEGCSA-N 283.400 3.695 30 20 CHED C#C[C@@H](OC(=O)c1oc(C(C)C)nc1C)c1ccccc1 842390812 CLRMRMMBAXFAKF-CQSZACIVSA-N 283.327 3.638 30 20 CHED CC(C)[C@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 595431276 OHJGWFLGFGDXMY-WBVHZDCISA-N 299.418 3.719 30 20 CHED CC(C)(CC#N)CSc1ccc([N+](=O)[O-])cc1F 594894448 DSXFXGSSPUCBLD-UHFFFAOYSA-N 268.313 3.766 30 20 CHED COC(=O)Cc1ccc(NN=C2CC(C)(C)C[C@H]2C)cc1 844605419 DVBQAYBUYCXFAL-GFCCVEGCSA-N 288.391 3.626 30 20 CHED CCC(=NNc1nc(C)cc(C)n1)c1ccc(CC)cc1 915931431 DFYHPYCPQMFQIZ-UHFFFAOYSA-N 282.391 3.882 30 20 CHED N#Cc1ccc(NN=Cc2ccc3ccccc3n2)cc1 741460079 LUVFXZLGAXCCTQ-UHFFFAOYSA-N 272.311 3.552 30 20 CHED C[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc(F)cc1 919313717 JAEHKCSESIJJBY-GFCCVEGCSA-N 283.302 3.810 30 20 CHED CCC[C@H](C(=O)Oc1cccc(OCC#N)c1)C(C)C 841346428 YUOKMSHKNDDUIJ-HNNXBMFYSA-N 275.348 3.567 30 20 CHED C=CCC[C@H](NC(=S)NCC1CC1)c1ccccc1 849259548 HKBAUEAMIZLTAW-HNNXBMFYSA-N 274.433 3.568 30 20 CHED CCC[C@H](C(=O)Nc1nc(Cl)c(C#N)s1)C(C)C 841224202 JDARCSYDWGDQOE-QMMMGPOBSA-N 285.800 3.679 30 20 CHED CCCCO[C@H]1CC(=NOCc2cccnc2)C1(C)C 746577144 OMXQGWSISIIYPG-HNNXBMFYSA-N 276.380 3.569 30 20 CHED O=C(O)Cc1ccc(C(=O)/C=C/C=C\c2ccccc2)cc1 746684999 WSQWIYKITXJJBI-MVTUOISNSA-N 292.334 3.766 30 20 CHED CCSc1cccc(NC(=O)C#Cc2ccccc2)c1 747395806 UTCHEYJLGSOQLD-UHFFFAOYSA-N 281.380 3.789 30 20 CHED CCC(C)(C)C(=O)OCC#Cc1ccc(Cl)cc1 749194143 WNQGWEBWQOCEIU-UHFFFAOYSA-N 264.752 3.671 30 20 CHED C=C(C)COC(=O)c1ccc(-c2ccc(F)cc2)n1C 749328459 RHFFHHAQCXVVGV-UHFFFAOYSA-N 273.307 3.564 30 20 CHED CC(C)c1ccc(C=NOCc2cc3n(n2)CCC3)cc1 844762328 AXBPJKRLMAZXMT-UHFFFAOYSA-N 283.375 3.503 30 20 CHED C=CCC[C@@H](CC)NCCc1nc2c(s1)CCC2 926933523 FPXCHRYITRPJFY-GFCCVEGCSA-N 264.438 3.509 30 20 CHED CO[C@H](C=NNc1ccc(OC(F)F)cc1)CC(C)C 841623676 JPEQYYPWLFUYJR-ZDUSSCGKSA-N 286.322 3.747 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 753413546 LMMKVOFTIVXKHG-CQSZACIVSA-N 297.310 3.608 30 20 CHED C=CCCC(=O)Nc1cc(C)cc(C(F)(F)F)c1 683120851 GMPFKJOKUXKLDL-UHFFFAOYSA-N 257.255 3.919 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)NCCC#N 854028355 XGYMHFSPQWKNLM-CQSZACIVSA-N 267.417 3.538 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccccc1C#N 921112688 YTEYSASFQDAGIW-CYBMUJFWSA-N 297.329 3.619 30 20 CHED COc1cccc2c1CCC2=NNc1ccc(C)cc1 759646977 SUUDVASMMIOWPY-UHFFFAOYSA-N 266.344 3.766 30 20 CHED C#Cc1cccnc1NC[C@@H](c1ccsc1)N(CC)CC 853159962 JRVONGZWEKMMFJ-INIZCTEOSA-N 299.443 3.619 30 20 CHED C=CCC[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccccc1 925578941 IUTLGERSBRGZDR-KBMXLJTQSA-N 282.391 3.581 30 20 CHED CCc1nc(C=NNc2ccc(Cl)cc2)cs1 755461991 LWFZGLWURXPZIR-UHFFFAOYSA-N 265.769 3.805 30 20 CHED Cc1cccc(C)c1C=NNc1cnnc2ccccc12 755733209 FKOMOGOQUPXVOX-UHFFFAOYSA-N 276.343 3.693 30 20 CHED Cc1noc(C)c1C=NOc1ccccc1C(F)(F)F 754710570 UOXZUEQNQBXLDG-UHFFFAOYSA-N 284.237 3.723 30 20 CHED C#Cc1cccc(NC(=S)NCC2(CC(C)C)CC2)c1 756789318 LLQFXNJCQAWEMI-UHFFFAOYSA-N 286.444 3.781 30 20 CHED Cc1nc(-c2ccc(C)c(N[C@@H](C)CC(C)(C)C#N)c2)n[nH]1 925941246 RTDMPQOAQDPCPX-LBPRGKRZSA-N 297.406 3.829 30 20 CHED CCCCCCCC(=O)N(CC)CCc1ccccn1 921085926 BHVWHNOUKCTKDR-UHFFFAOYSA-N 276.424 3.833 30 20 CHED CCO[C@@H]1CC(=NO[C@@H]2CCCCO2)C12CCCCC2 755814273 LTBNBLFGNNSXNY-HUUCEWRRSA-N 281.396 3.645 30 20 CHED C#CCOCCN[C@@H](CC(C)(C)C)c1ccc(F)cc1 753765934 DMLIUIYVXJPDMT-INIZCTEOSA-N 277.383 3.542 30 20 CHED CCCC[C@@](C)(F)C(=O)OC[C@H](C#N)Cc1cccs1 850919365 QDGNMDKVIMQBMG-SWLSCSKDSA-N 297.395 3.892 30 20 CHED CC(Cn1nc(C)cc1C)=NOCCCSCC(C)C 752766421 YKSQPFMXLVKZNZ-UHFFFAOYSA-N 297.468 3.672 30 20 CHED C=C(CN[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 756482170 HUQWCASDAOCKQZ-AWEZNQCLSA-N 283.371 3.765 30 20 CHED C=C[C@@H](CC(=O)OCCCC(=O)CC)c1ccccc1 759593433 SJMVEOFWADBSAO-AWEZNQCLSA-N 274.360 3.649 30 20 CHED Cc1cccc2oc(C(=O)N(CCC#N)CC3CC3)cc12 931938844 AYXZHDXYEKDRMX-UHFFFAOYSA-N 282.343 3.507 30 20 CHED COc1ccc(NN=Cc2c(F)cccc2Cl)cc1 750944939 BYPXYOQGOMPPJM-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C=CCC1(NC(=O)/C=C\c2ccc(Cl)nc2)CCCC1 855927626 VEHROGNZWOCGNA-VURMDHGXSA-N 290.794 3.753 30 20 CHED C=CCCc1ccccc1NC(=O)c1cnn(C2CCC2)c1 935833370 XMUYVMCOWGABPD-UHFFFAOYSA-N 295.386 3.979 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 930668793 IXIISOORXHEPEO-BFYDXBDKSA-N 287.403 3.577 30 20 CHED CN(CC(C)(C)C#N)C(=O)CC(C)(C)c1ccc(F)cc1 868558610 NVLGKWMCIFZRQN-UHFFFAOYSA-N 290.382 3.502 30 20 CHED C[C@H]1CCC[C@H](C=NNc2nc3ccccc3[nH]2)C1 768353391 YFGYXDXTANKBMH-RYUDHWBXSA-N 256.353 3.787 30 20 CHED C[C@@H](CC#N)OC(=O)C1(c2cc(F)cc(F)c2)CCCC1 860544379 CKIJVHCTSXNANC-NSHDSACASA-N 293.313 3.622 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H](C)OC1CCCCCC1 760463038 RTRRPRWXOAZIHM-HNNXBMFYSA-N 294.439 3.513 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CCC1(C)CC1 930990771 NBILOLUZNFUNPK-UHFFFAOYSA-N 282.387 3.653 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 863634463 NNYJIYDSWJKJRH-GFCCVEGCSA-N 285.721 3.655 30 20 CHED CC(C)n1cc(/C=C2/Cc3ccc(Cl)cc3C2=O)cn1 762448694 XSWZYBCKVZAJIX-ACAGNQJTSA-N 286.762 3.940 30 20 CHED C[C@H](NCCCCC#N)c1nc2ccccc2s1 765732173 NLIIXIINTLBOGN-NSHDSACASA-N 259.378 3.641 30 20 CHED C#CCNC(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1 763289270 KZCRTAYSQSEQKB-QGZVFWFLSA-N 284.403 3.680 30 20 CHED N#CC1(NC(=O)/C=C\CCc2ccccc2)CCCCC1 865077123 CMLFXMPVLMOXQJ-SDQBBNPISA-N 282.387 3.518 30 20 CHED C#CCCCN[C@H](CC(F)(F)F)c1ccccc1C 769988852 FXDISTXYNNRVMX-CQSZACIVSA-N 269.310 3.992 30 20 CHED CC(=NNc1nccnc1Cl)c1csc(C(C)C)n1 768776289 DQIPDXNGEWWSKK-UHFFFAOYSA-N 295.799 3.546 30 20 CHED CC[C@@H](Nc1cccc(CC#N)n1)c1ccccc1OC 1118924391 POYYSULIARJIGA-OAHLLOKOSA-N 281.359 3.719 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc2ccccc2n1 761885488 UXLMNCKIUGGSDG-UHFFFAOYSA-N 295.317 3.829 30 20 CHED CC(=NOC(C)(C)C)c1nc2ccc(Cl)cc2n1C 1116409452 WTTASGDAKGPEKY-UHFFFAOYSA-N 279.771 3.766 30 20 CHED CC(=NNc1ccccn1)[C@H](C)Cc1ccccc1[N+](=O)[O-] 761251794 HYOPTUXSFNUGDE-GFCCVEGCSA-N 298.346 3.656 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(OC(F)F)cc2F)C1 877313204 VBZXZJIGVVODRQ-HNNXBMFYSA-N 298.308 3.553 30 20 CHED C[C@H]1CCC[C@H](c2nnc(COc3ccc(C#N)cc3)o2)C1 1117173278 GXITWODZQABZJC-JSGCOSHPSA-N 297.358 3.814 30 20 CHED FC(F)c1cc(C2CC2)n(CC(F)(F)C(F)(F)F)n1 871950574 CJRDFRVFOSMMMA-UHFFFAOYSA-N 290.182 3.896 30 20 CHED CC(=NNc1cccc(Cl)c1F)[C@H]1CCCOC1 779771757 OHMBZFFAOMNQKE-JTQLQIEISA-N 270.735 3.694 30 20 CHED CCC1(c2nnc(-c3ccc(C#N)cc3)o2)CCCC1 1117242539 CMGUXTLSCSLKFL-UHFFFAOYSA-N 267.332 3.830 30 20 CHED CC(CCc1cncc2ccccc12)=NOC1CCOCC1 872367016 OFNUDAXFEGOAHA-UHFFFAOYSA-N 298.386 3.739 30 20 CHED C[C@@H](C#N)OC(=O)CCCc1ccc2ccccc2c1 775919496 YHYQOPGTJIEVHJ-ZDUSSCGKSA-N 267.328 3.618 30 20 CHED CCC(CC)CNN=Cc1ccc(F)c2cccnc12 774461741 JEUJNAMSHNYYFU-UHFFFAOYSA-N 273.355 3.734 30 20 CHED C=C(C)CCN[C@@H](C)c1cnn(-c2ccccc2)c1C 775666195 ANWUHMISGFEROZ-AWEZNQCLSA-N 269.392 3.798 30 20 CHED Cc1ccc(COC(=O)c2cc(C#N)cs2)c(Cl)c1 773445741 ZUEPRXMODQEQEB-UHFFFAOYSA-N 291.759 3.939 30 20 CHED COC(=O)c1cccc(NN=C(C)c2cccc(C)c2)c1 779827754 OGHXTIXKHARJRH-UHFFFAOYSA-N 282.343 3.618 30 20 CHED C=CC(C)(C)CC(=O)OCc1csc(C2CC2)n1 884650085 YDYSOHOBTDDQSL-UHFFFAOYSA-N 265.378 3.666 30 20 CHED C=CCC[C@@H](C(=O)OCC(=O)C(C)(C)C)c1ccccc1 778559363 PLLXMLDUOXKWLV-OAHLLOKOSA-N 288.387 3.895 30 20 CHED Cc1cc(/C=C2\CC(=O)Nc3ccccc3C2=O)ccc1F 774143384 WJLDTQJBYMKBNN-UKTHLTGXSA-N 295.313 3.743 30 20 CHED COc1ccc(NN=C2CC[C@](C)(c3ccccc3)C2)nc1 780277452 XQFMCWZQGDBZQY-SFHVURJKSA-N 295.386 4.000 30 20 CHED CC1(C)CCC[C@@H]1NN=C[C@H]1CCOc2ccccc21 782290184 ZXGLDZFTBSQEFL-CJNGLKHVSA-N 272.392 3.707 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)CCc1ccoc1 783872931 NJOOQVPCSKJATF-UHFFFAOYSA-N 299.370 3.749 30 20 CHED CC(C)(CCC#N)CNc1ncc([N+](=O)[O-])c2ccccc12 884508724 NIVBRGQOWRXLJL-UHFFFAOYSA-N 298.346 3.885 30 20 CHED CC(C)[C@@H]1CCCCC1=NNCCC(=O)OC(C)(C)C 783865807 IWHIATGSYSIWFQ-ZDUSSCGKSA-N 282.428 3.510 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C(F)(F)F)nc1 889753581 XCNHVAHNOVMUOJ-UHFFFAOYSA-N 272.270 3.641 30 20 CHED CC(=NNc1cccc(Br)c1)[C@]1(C)CCCO1 782186186 KRNNJAQOGFKAGA-ZDUSSCGKSA-N 297.196 3.806 30 20 CHED C=C(C)CCC(=O)N(C)[C@H](C)c1sc(CC)nc1C 1120610362 CHPSFYAFCWUFTM-GFCCVEGCSA-N 280.437 3.890 30 20 CHED CC(C)CCCS(=O)(=O)CCCCC1(C#N)CCC1 899484357 ZQWYBEODYZOOGN-UHFFFAOYSA-N 285.453 3.702 30 20 CHED CC(CCc1ccccc1F)=NN[C@H]1CCOC(C)(C)C1 780252337 YBLXEQPIQDNPNE-HNNXBMFYSA-N 292.398 3.681 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1cc(F)c(C)cc1F 785762139 RCDVJRVZASZLCU-INIZCTEOSA-N 296.313 3.601 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(F)c2)cc1Cl 15539855 TYWUWQZXLALPHM-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@@H](Cc1ccccc1F)NCc1cc(C#N)ccc1F 783253469 HMDVOFBMOMSKNN-LBPRGKRZSA-N 286.325 3.557 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1cccc(C(=O)O)c1 783772089 JOUBCHOQBPCTKW-YPMHNXCESA-N 260.337 3.609 30 20 CHED Cc1cc(F)cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1N 783287342 XQSSYGDHNHZDPO-NSHDSACASA-N 298.317 3.506 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1F)c1ccc(O)cc1O 782206696 JKWDQFMNRICCSD-QHHAFSJGSA-N 292.693 3.786 30 20 CHED CC(C)[C@H](F)C(=O)Nc1ccccc1SC[C@H](C)C#N 784096974 COXBNTWURVHJCB-RISCZKNCSA-N 294.395 3.871 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2ncccc2[N+](=O)[O-])C1 783854458 SCKACBKHDVSBQI-VXGBXAGGSA-N 276.340 3.604 30 20 CHED Fc1ccc(/C=C/C=NNC2CCCCC2)c(F)c1 786042891 CGGJOQLXMNNEFT-LJGOCUTKSA-N 264.319 3.886 30 20 CHED C=C1CC(c2noc([C@H]3CCO[C@@H](c4ccccc4)O3)n2)C1 896875757 NMDKWJGVKJTZGH-RHSMWYFYSA-N 298.342 3.680 30 20 CHED CC(Cc1ccccc1C(F)(F)F)=NNCC(F)(F)F 794859120 JPWSYFFILWSONH-UHFFFAOYSA-N 298.230 3.776 30 20 CHED CSCCON=C(C)c1ccc(SC)cc1 794573817 LSVMSRMQRBAIDK-UHFFFAOYSA-N 255.408 3.512 30 20 CHED C=CCOc1cccc(C=NOCc2ccccc2OC)c1 799119211 JIOOCXPHWBNRGD-UHFFFAOYSA-N 297.354 3.811 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 796462166 FZSXPYQUUSCAEC-UHFFFAOYSA-N 299.370 3.805 30 20 CHED CC[C@@H](C)CON=C1CCC(C(=O)OC(C)(C)C)CC1 793163448 KWTCDTXWQDRGCW-PZORYLMUSA-N 283.412 3.937 30 20 CHED CCO[C@@H]1C[C@H](N(C)C[C@H](C)CCC#N)C1(CC)CC 1204334831 MOXVNYKGDNPQSL-OWCLPIDISA-N 280.456 3.842 30 20 CHED CCOc1ccccc1/C=C1\COc2cc(F)ccc2C1=O 794726766 FEBHOIHQHKUSSY-UKTHLTGXSA-N 298.313 3.883 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccccc1 799720425 IBASHVMHGWWJLR-KBXCAEBGSA-N 265.356 3.807 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(C)c(C#N)c1 799695449 JMHFQHZGQFXNHL-YOEHRIQHSA-N 284.403 3.908 30 20 CHED C=CCCOCCCCC(=O)O[C@H]1CCCC1(C)C 799503772 UBCVRCQTBJTXTP-AWEZNQCLSA-N 268.397 3.871 30 20 CHED CC[C@H](C)NN=Cc1ccc(OC)c(O[C@H](C)CC)c1 790183810 OHMNKCLGDBSPEM-QWHCGFSZSA-N 278.396 3.595 30 20 CHED CC(C)Cc1ccccc1C(=O)Nc1cc(C#N)ccc1O 790820969 CNCSBNOBHUNRSQ-UHFFFAOYSA-N 294.354 3.715 30 20 CHED C=CCC[C@H](C(=O)O[C@H](C)c1ccnn1C)c1ccccc1 791933570 BSDFWCMHHSPLNA-ZBFHGGJFSA-N 298.386 3.774 30 20 CHED CCOc1c(C)cc(COC(=O)c2ccc(C#N)o2)cc1C 796837827 URYGDYAHRHJEFD-UHFFFAOYSA-N 299.326 3.524 30 20 CHED CN(C)c1ccccc1CNN=C1CCC2(CC1)CC2 794950154 XXDJZPNHSUGUID-UHFFFAOYSA-N 271.408 3.552 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 791788907 QNFCYDOVMXEDRL-LBPRGKRZSA-N 289.331 3.945 30 20 CHED CC[C@@H](CNc1ncc(C#N)cc1F)Oc1ccccc1C 1162636871 DHOAPLLETJQMSA-AWEZNQCLSA-N 299.349 3.670 30 20 CHED CCc1cccc2c1N(CCOc1cccc(C#N)c1)CC2 1167859397 HOMLZAYMKIGWCQ-UHFFFAOYSA-N 292.382 3.562 30 20 CHED N#Cc1cc2c(n(CCC3CCCCCC3)c1=O)CCC2 1307403113 OQCIAYQIVCKAGO-UHFFFAOYSA-N 284.403 3.569 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1c(C)nc2sccn12 1317993310 XYETZOODOVAJHG-LLVKDONJSA-N 298.415 3.779 30 20 CHED CSCCCCCN[C@@H](C)c1ccc(OCC#N)cc1 186775158 PSEMAJLMPIAVDY-AWEZNQCLSA-N 292.448 3.773 30 20 CHED N#CCC1CCN(CCSC2CCCCC2)CC1 516854563 AUEAXBBUUDGCPV-UHFFFAOYSA-N 266.454 3.678 30 20 CHED CCCCCCCCCCc1nc(-c2nc[nH]n2)no1 731792812 FNFFFFNOTTZGGC-UHFFFAOYSA-N 277.372 3.538 30 20 CHED C=CCn1cnnc1SCc1ccc(C(F)F)cc1 1320232524 KXLCWZYRAGATNM-UHFFFAOYSA-N 281.331 3.694 30 20 CHED N#Cc1nc(Oc2cnc(F)cc2Cl)ccc1Cl 1324387037 IEVKBHSPBHBZAT-UHFFFAOYSA-N 284.077 3.586 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)nc2)cc1Cl 190249136 XJKXLRKQUBDTSL-UHFFFAOYSA-N 279.126 3.839 30 20 CHED N#C[C@H](c1ccccc1)N1Cc2ccc(O)cc2C2(CC2)C1 1327561504 FMXSPQKJECCFLZ-GOSISDBHSA-N 290.366 3.504 30 20 CHED C#CCCCOc1ccc(C(=O)c2ccccc2)cc1 686889633 KWMQWCLOQLEQFX-UHFFFAOYSA-N 264.324 3.710 30 20 CHED CCNc1ccc(C#N)cc1NC[C@H](OC)c1ccccc1 1328712357 CGOMWPWHZOHPBT-SFHVURJKSA-N 295.386 3.790 30 20 CHED CC[C@H]1CC[C@@H]1Nc1cccc(OCCCC#N)c1 562055270 SFBFWVBCCBKBAK-BBRMVZONSA-N 258.365 3.970 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)CC#Cc2ccccc2)CC1 1326146760 UMJJMGVKYDNXKO-NVXWUHKLSA-N 269.388 3.513 30 20 CHED N#Cc1ccc(COc2ccc(Cl)c(Cl)c2)nc1 562475929 VYPSVXKZLRDDGR-UHFFFAOYSA-N 279.126 3.839 30 20 CHED N#Cc1cccc(C#N)c1NCc1cc2c(s1)CCCC2 1320796567 MKEBLGUFWICKJM-UHFFFAOYSA-N 293.395 3.982 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cccnc2N(C)C)c1 1328934093 FEBODVYDTMQFRH-KTKRTIGZSA-N 280.371 3.661 30 20 CHED C=C[C@H](COC)NC(=O)[C@@H](CCC)c1cccc(Cl)c1 1335169573 JCQWQUWVYYEZCE-CABCVRRESA-N 295.810 3.541 30 20 CHED C=C1CCC(c2nc([C@H](C)C(=O)OC(C)(C)C)no2)CC1 1332739922 YFXBICMGKBVUAR-NSHDSACASA-N 292.379 3.729 30 20 CHED Cc1ccc(Cl)c(Oc2ncc(C#N)cc2F)c1 1184557082 YUKCHLZPGBKMBA-UHFFFAOYSA-N 262.671 3.847 30 20 CHED CCCCCCCN(C)Cc1ccc(OC)c(O)c1 750045604 LUTZXYZRLLOCER-UHFFFAOYSA-N 265.397 3.803 30 20 CHED CC[C@H](C)CN(C)c1nc2ccccc2cc1C#N 71389786 KIRWSXJZMPZBKM-LBPRGKRZSA-N 253.349 3.589 30 20 CHED Cc1cc(C#N)nc(N[C@H](c2ccccc2)[C@H]2CCCO2)c1 1334140444 JYHICKNXVPNQIN-SJLPKXTDSA-N 293.370 3.594 30 20 CHED COc1cc(N[C@@H](C)CC(C)(C)C#N)ccc1F 695785269 AOHNAOSYZCBPSV-JTQLQIEISA-N 250.317 3.575 30 20 CHED C=CC[C@H](NCC1CCC(c2ccccc2)CC1)C(=O)O 1333123974 FJIFZSXVDYNMQV-PREGVCBESA-N 287.403 3.579 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2cc(CC)ccc2C1 1337893582 PDRLSOOMPOOSFT-UHFFFAOYSA-N 271.404 3.736 30 20 CHED CC1(CCC(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 1343403887 HVEBLHAMUGSVSJ-CQSZACIVSA-N 278.355 3.991 30 20 CHED N#CC1(CCCCN2CCC[C@H](OCC3CC3)C2)CCC1 1341155421 PHBZWXBFNLQKHL-KRWDZBQOSA-N 290.451 3.742 30 20 CHED Cc1cccc([C@@H](C)C(=O)[C@H](C#N)c2cccc(F)n2)c1 1347124765 RQAOAJXUZJBOBA-TZMCWYRMSA-N 282.318 3.509 30 20 CHED C=CC(C)(C)CNC(=O)Cc1c(C)nc2ccccc2c1C 1348312748 HPAHOPVJBBXHML-UHFFFAOYSA-N 296.414 3.723 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 1359141869 UPPKDLXMPFSLTO-DGCLKSJQSA-N 296.846 3.779 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 1361167852 GMBWWOAMSVRLII-BXUZGUMPSA-N 274.339 3.852 30 20 CHED Cc1ccc(C(C)(C)CNc2ncc(C#N)cc2F)cc1 1458171325 REZNUKPAYOSVQO-UHFFFAOYSA-N 283.350 3.791 30 20 CHED CC(C)[C@@H]1N(C(=O)[C@H](CC#N)c2ccccc2)CC12CCC2 1450404621 ZOJRCBGOLGLSHU-SJORKVTESA-N 296.414 3.721 30 20 CHED C[C@@H]1CCc2c(C(=O)O[C@@H]3CC[C@@H](C#N)C3)csc2C1 1524711524 CXYYYHQGMWEGKR-IJLUTSLNSA-N 289.400 3.722 30 20 CHED CC(C)[C@@H]1N(c2ncc(C#N)cc2F)CC12CCCCC2 1458432159 PRJXZKISEKOGRN-HNNXBMFYSA-N 287.382 3.887 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H](Cc2ccc(F)cc2)C1 1459514030 UUEHYXRYASEPGA-VQIMIIECSA-N 294.373 3.955 30 20 CHED C=C(Cl)CN1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 1459779030 ULRMOZOWJLHIKX-WDEREUQCSA-N 253.748 3.886 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CCC1(C)CC1 1465250292 YFKNJBICOPJNEX-UHFFFAOYSA-N 285.391 3.899 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1)[C@H]1CC1(C)C 1465139607 CHLYPWKXDPQKCD-KGLIPLIRSA-N 271.364 3.504 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCC(C)(C)C[C@H]1C 1532171191 FFAUKUFVKFLDFS-WBMJQRKESA-N 284.403 3.811 30 20 CHED CS[C@@H]1CCCC(=NNc2cccc(C(=O)O)c2F)C1 1607391317 IVRQIJBITNYYKN-SNVBAGLBSA-N 296.367 3.597 30 20 CHED CCCN(CCc1cccc(F)c1)CC1(CC#N)CC1 1473158481 WXNSSLOCZUMSLB-UHFFFAOYSA-N 274.383 3.774 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN1CCCc2cc(C#N)ccc21 1473508053 SQJAWMICHXDXKE-BEFAXECRSA-N 298.430 3.906 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1cc(Cl)cs1 1610805879 GBKKFSGKEZYRNG-UHFFFAOYSA-N 298.726 3.685 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(C#N)cc1C(C)=O)C(C)C 1543531206 FXESJAYJXQGYTH-AWEZNQCLSA-N 286.375 3.772 30 20 CHED COc1ccc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1C#N 1544962574 XIZRSJMTGKISDC-SMDDNHRTSA-N 286.375 3.578 30 20 CHED N#Cc1ccccc1OCc1nsc2ccccc12 1472938822 MUSRVXLINUTWFN-UHFFFAOYSA-N 266.325 3.747 30 20 CHED C=C(Cl)Cn1c(-c2ccccc2)nnc1N(CC)CC 1705750891 RXHZROMEIVOBHM-UHFFFAOYSA-N 290.798 3.544 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1cccc(C#N)c1 1563421710 IJEUVPMMFCUORL-IAGOWNOFSA-N 299.418 3.574 30 20 CHED N#Cc1c(F)cccc1CNc1cnc2ccccc2c1 1560740199 HWKFWQWPLJHEGK-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1 1564122642 CHVZAJYNXRBYKB-IRXDYDNUSA-N 299.418 3.574 30 20 CHED CS[C@H]1CCC[C@H](Nc2cc(C)cc(C#N)c2)C1 1651210853 RWMCNTITWVDPMD-ZFWWWQNUSA-N 260.406 3.953 30 20 CHED COC(=O)c1cc(N[C@H](C)CC(C)(C)C#N)c(C)cc1C 1659480579 GYDXCZMRHBTDFE-CYBMUJFWSA-N 288.391 3.830 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1conc1CC 1776784518 XXSGWROMLKHEGI-CQSZACIVSA-N 296.411 3.530 30 20 CHED CSc1cccc(C=NNc2ccc(C(=O)O)cc2)c1 1776013823 RQSAPHNZTFBXBS-UHFFFAOYSA-N 286.356 3.553 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H]2CCC(C)(C)C2)CC1 1776158241 GNZTUQSLELFORG-CQSZACIVSA-N 279.424 3.556 30 20 CHED CCCC[C@@H](CC)CC(CC)=NN[C@@H](CC)C(=O)O 1776067424 ADIVOAXEDFCYFU-OCCSQVGLSA-N 270.417 3.812 30 20 CHED CC[C@@H](C)CON=C(C)CCCCCCC(=O)O 1776077954 PUGIJVNQOAKFDC-GFCCVEGCSA-N 257.374 3.850 30 20 CHED C=CCc1cccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1 1776187712 KZAUGJNWVPMOPD-BZSNNMDCSA-N 299.414 3.633 30 20 CHED C=CC1CCN([C@H](C(=O)O)c2ccc(F)c(Cl)c2)CC1 1776150145 HICDPODIFMDDLT-AWEZNQCLSA-N 297.757 3.503 30 20 CHED C[C@H]1C[C@H]1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 14905837 RERQZHVOVVYLGV-YVEFUNNKSA-N 277.323 3.787 30 20 CHED Cc1ccccc1NC(=O)[C@H](C)Nc1ccc(CC#N)cc1 15499430 KREREKMMCZQSBM-AWEZNQCLSA-N 293.370 3.500 30 20 CHED C=CCN(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 161896078 ATLGRSSAZRHRKV-JOHJCKIYSA-N 261.409 3.627 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]1c1sccc1C 163819732 AJCAXASFAAXGEM-UONOGXRCSA-N 296.395 3.979 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](C(C)(C)C)C1 165506046 MAMHKGMRUBZOKL-INIZCTEOSA-N 256.393 3.735 30 20 CHED C[C@@H](CCc1ccc(F)cc1)NCc1cccc(C#N)c1 151397666 ADZWNAMVUAVXLS-AWEZNQCLSA-N 282.362 3.808 30 20 CHED CC#CCCSc1nnc(C2CC2)n1-c1ccccc1 155074986 LVULUMOZMQRBJF-UHFFFAOYSA-N 283.400 3.650 30 20 CHED CN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1F 155690088 KKCGKICJTAPWSL-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CCC#N 155250331 IZFXWYGAKZUGIS-NSHDSACASA-N 289.766 3.901 30 20 CHED C=C(C)CN(CC)C(=O)NCC1(CCC)CCC1 155354168 IECAMAPBQLFMSD-UHFFFAOYSA-N 252.402 3.564 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccccc1OCC(C)C 155818575 OKCPLRFRNUXAOG-CYBMUJFWSA-N 289.379 3.535 30 20 CHED CC(C)c1ccccc1C(=O)N1CCC(CC#N)CC1 831940219 BEKRWJREEXLSFX-UHFFFAOYSA-N 270.376 3.576 30 20 CHED COc1ccccc1/N=C(\Cl)CC(F)(F)F 1857775953 RLWUYJFJYJGASR-DHDCSXOGSA-N 251.635 3.916 30 20 CHED N#Cc1ccc(NCCCCc2ccccc2)cc1 131006364 TVHREKSKEGBLMK-UHFFFAOYSA-N 250.345 3.993 30 20 CHED N#Cc1ccc(N2CC[C@@H]3CCCC[C@H]3C2)c(F)c1 252391801 SBVREGRQVBTYNV-KBPBESRZSA-N 258.340 3.714 30 20 CHED CC1(C)CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 164484927 IEHRCNMKZLVYMV-UHFFFAOYSA-N 268.282 3.813 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1cc(C#N)ccc1F 53906506 JPDBMZYGCGMDQE-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](c1ccccc1)[C@H](C)CC 300422595 IYRAYMCVARRULO-OIISXLGYSA-N 271.404 3.734 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1O 309546675 HAXIXPJHINWEKN-YUMQZZPRSA-N 260.164 3.924 30 20 CHED C=C(C)CCNC1(c2ccc(Br)cc2)CC1 309654403 YQZGRBOTGAFXRO-UHFFFAOYSA-N 280.209 3.994 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC1CC(C#N)(c2ccccc2)C1 385848118 PIYWPLAJDVPPTK-CCGTUFIJSA-N 268.404 3.635 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCC[C@@H](CC#N)C1 397602549 ALGORDVBTQBLMR-LSDHHAIUSA-N 264.413 3.601 30 20 CHED Clc1ccc(C=NOCc2ccccc2)s1 839422857 FJWKWLNENVWPDX-UHFFFAOYSA-N 251.738 3.952 30 20 CHED Cc1cccc(/C=C2\COc3ccccc3C2=O)c1 3506209 WBGSDVMJQHSORL-GXDHUFHOSA-N 250.297 3.654 30 20 CHED Cc1nnc(NCCc2ccc(C(C)C)cc2)c(C#N)c1C 29525368 KXCBODHBITTXHW-UHFFFAOYSA-N 294.402 3.743 30 20 CHED C=C(C)CCNC(=O)c1ccc(Cl)cc1Cl 39193274 DILUAJKQMLUQGR-UHFFFAOYSA-N 258.148 3.689 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1cccc(C)c1 40217782 FONNQEIGJODDBD-UHFFFAOYSA-N 264.328 3.533 30 20 CHED CN(CCCCC#N)Cc1ccc(Br)cc1 42224160 XQIWQBWITUPDDT-UHFFFAOYSA-N 281.197 3.575 30 20 CHED C=CCOc1ccc(CNC[C@H]2CC=CCC2)cc1 44583722 FZLIQTWPEAJCOE-HNNXBMFYSA-N 257.377 3.697 30 20 CHED N#Cc1cc(NC(=O)Cc2ccccc2F)ccc1Cl 48824392 GFQANPNCRZZBOH-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccs1 55891241 LZVQCJUZOSAHEX-UHFFFAOYSA-N 287.384 3.585 30 20 CHED CCCN(CCOc1ccc(C#N)cc1)Cc1ccccc1 58876416 PZASYSBYRLCOEL-UHFFFAOYSA-N 294.398 3.849 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1[N+](=O)[O-] 59270229 VRTXQBOGQPGELB-BQYQJAHWSA-N 292.294 3.671 30 20 CHED C=CCSc1nc(C(F)(F)F)nc2ccccc12 60730863 QSNUXOOELWEFJA-UHFFFAOYSA-N 270.279 3.927 30 20 CHED N#Cc1ccc(N2CCc3ccccc3C2)cc1Cl 61850720 ANVPUDLBGTYGSR-UHFFFAOYSA-N 268.747 3.774 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(OCCCC)c1 69358327 BGLRMWIVIMGSTK-CQSZACIVSA-N 291.391 3.785 30 20 CHED CCn1c(SCCC#N)nnc1-c1cccc(Cl)c1 72527403 FXBAAIVZYRVXQC-UHFFFAOYSA-N 292.795 3.624 30 20 CHED CC(C)[C@H](CNc1ccc(C#N)cn1)Nc1ccccc1 73770462 OVEZEXVSJXXPSB-INIZCTEOSA-N 280.375 3.502 30 20 CHED CC(=O)c1ccc(OCc2ccc(F)cc2C#N)c(C)c1 77567243 UQIHKPAGCCPWDL-UHFFFAOYSA-N 283.302 3.787 30 20 CHED CCc1ccc(-c2ccc(C(=O)N[C@@H](C)CC#N)o2)cc1 79813202 UZMUGSNSAWZOCH-LBPRGKRZSA-N 282.343 3.541 30 20 CHED CCO[C@@H]1C[C@H](Nc2cccc(F)c2C#N)C12CCCC2 85679283 FEDMLJYDYMINJF-JKSUJKDBSA-N 288.366 3.847 30 20 CHED Cc1ccc([C@H](C)NCC(C)(C)CCC#N)cc1[N+](=O)[O-] 91062053 XXHISGSNQQPZTA-ZDUSSCGKSA-N 289.379 3.884 30 20 CHED C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@@H]1C 91859675 BGUZVDDCLSQUPY-LSDHHAIUSA-N 272.392 3.599 30 20 CHED N#Cc1c(Cl)nsc1N1CCC[C@@H]1C1CCCC1 92621197 LTWUOXNCLRPAJC-LLVKDONJSA-N 281.812 3.827 30 20 CHED CCOCc1ccc(Nc2snc(Cl)c2C#N)cc1 92662689 XGUZLKMWOVJPHM-UHFFFAOYSA-N 293.779 3.948 30 20 CHED C=CCNC(=O)c1ccc(NC(=O)CCCCCC)cc1 97699112 GFTQYZJTZFJDAD-UHFFFAOYSA-N 288.391 3.511 30 20 CHED N#CCCCOc1cccc(NC[C@H]2C[C@H]3C=C[C@H]2C3)c1 103146088 LQRQELXWJXTMJQ-HRCADAONSA-N 282.387 3.993 30 20 CHED Cc1ccc(C)c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 106419449 FIKUATYWRXWLOM-INIZCTEOSA-N 298.773 3.952 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 112204191 PFHXQLDKMYGIDJ-NWDGAFQWSA-N 290.329 3.506 30 20 CHED CC(C)(CCCc1ccccc1)CNC(=O)C(C)(C)C#N 113857730 FQYVRMGWQUZYPF-UHFFFAOYSA-N 286.419 3.701 30 20 CHED CCc1sc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1C 116812220 JGMLQOBJNAQMLM-BZNIZROVSA-N 290.432 3.821 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OC2CCCC2)cc1 116855664 YUZMXHUOZQQFEM-ZDUSSCGKSA-N 273.376 3.702 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1cccc(C)c1C 116973770 KIBRGFQIZYTQRS-GXTWGEPZSA-N 260.381 3.628 30 20 CHED CC[C@H](C)N(C(=O)CCc1ccc(C#N)cc1)[C@H](C)CC 119783706 AFFBWHDCMZTNPN-GASCZTMLSA-N 286.419 3.916 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 119878226 ZMXDGGAZOASYKC-ZWKOTPCHSA-N 283.415 3.708 30 20 CHED CCCCCCCCCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C 120788447 CHJMHIBMHIJOLD-IRXDYDNUSA-N 296.499 3.926 30 20 CHED CC(C)(F)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 131180420 ZZZFLTHCQWJCER-UHFFFAOYSA-N 283.302 3.879 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] 131733238 NZEFRODFMPIGOF-UHFFFAOYSA-N 294.326 3.552 30 20 CHED N#Cc1cccc(COc2ccc(Cl)c(F)c2)c1 133331828 MJBYIQFTZVWQIW-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CCc1ccc([C@@H](C)Nc2nccc(C)c2C#N)cc1 135188598 FHKXIMXIHXWAOR-CYBMUJFWSA-N 265.360 3.997 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2ccccc2F)CC1 150749861 RVODXANYEOVRNC-UHFFFAOYSA-N 273.351 3.699 30 20 CHED C=C[C@@H](C)NCc1cccc(OCc2ccccc2C#N)c1 153688221 XVMIFOPZQYQXIQ-OAHLLOKOSA-N 292.382 3.801 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 154269152 TWWYSLVGRNQWAG-VUCTXSBTSA-N 265.356 3.634 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C#N)nc2)c2ccccc21 154871184 VAFQGGCQEPSTKF-MRXNPFEDSA-N 263.344 3.788 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(OC)c(Cl)c1 155650705 WUJCXEFSHQXXEK-GFCCVEGCSA-N 283.799 3.592 30 20 CHED C=C(C)CNC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 156498230 LPZNJOMKTDMFSZ-GFCCVEGCSA-N 296.823 3.752 30 20 CHED C=CCN(C)C(=O)c1cccc(NCC(C)(C)C)c1C 157376210 AVQKBIPMHCHGOF-UHFFFAOYSA-N 274.408 3.711 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(COC2CCCC2)cc1 157661298 NYKYSIFRQZCQLY-UHFFFAOYSA-N 286.375 3.634 30 20 CHED N#Cc1cccc(SCC(=O)C2CCCCC2)c1 158702650 JPLRPPDCHQDAJO-UHFFFAOYSA-N 259.374 3.800 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(CCC#N)Cc2cccnc2)o1 159052402 ZJYGNCDZBJIFGL-YOEHRIQHSA-N 295.386 3.714 30 20 CHED Cc1ccc(C#N)c(NCc2coc(-c3ccccc3)n2)n1 161560786 XZTVZUMJHGAKTI-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C[C@H]1C[C@H](C)CN(Cc2ccc(C#N)cc2Cl)C1 162859581 BNULCULVRNUGGA-RYUDHWBXSA-N 262.784 3.690 30 20 CHED C[C@@H]1SCCN(Cc2ccc(C#N)cc2Cl)[C@H]1C 162935890 QOXWJRFHHIGNME-QWRGUYRKSA-N 280.824 3.537 30 20 CHED CC(C)(C#N)CNCc1ccc(-c2ccccc2)cc1 168930847 DTDOLHCUCCSFRD-UHFFFAOYSA-N 264.372 3.993 30 20 CHED CC(=O)c1ccc(OCc2ccc(F)cc2C#N)c(F)c1 170853117 UXJMUOCMLOOAAD-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccccc2OCC=C)c1 171195990 OVXFECRCKCTADQ-UHFFFAOYSA-N 291.350 3.509 30 20 CHED C#CCCCNC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 173324770 AOHPCKSKVYRRAO-QGZVFWFLSA-N 284.403 3.645 30 20 CHED CC(C)(CCC#N)CNC1CCN(c2ccccc2)CC1 174298519 HMRVIOMTODLMPD-UHFFFAOYSA-N 285.435 3.575 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1cccc(C#N)c1 174441949 PFCIQWVMMCQQJJ-OLZOCXBDSA-N 271.364 3.601 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1C)c1ccncc1 178580736 GYLCZDGMMFCFIU-OAHLLOKOSA-N 294.358 3.535 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cccc3nccn23)cc1 178943056 RHLFEXJPFFHGMR-DHZHZOJOSA-N 292.338 3.629 30 20 CHED CC(C)Oc1ccc(NC(=O)N[C@H]2CC=CCC2)cc1C#N 178993437 MJQZJHHADGSODQ-AWEZNQCLSA-N 299.374 3.576 30 20 CHED N#CCCCCN[C@@H]1CCc2c(Br)cccc21 179211239 BJQSZMDCPDNGIA-CQSZACIVSA-N 293.208 3.720 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)o1)CCC2 179361119 MNVZXLSLMQRMMS-KRWDZBQOSA-N 266.344 3.627 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(C#N)cn1 179427804 ZTCXCMFBBKHGHP-DHZHZOJOSA-N 297.745 3.649 30 20 CHED C=CCN[C@H](C)c1ccc(OCC(C)C)c(OC)c1 180091402 DDJMHGQTEYZAIM-CYBMUJFWSA-N 263.381 3.567 30 20 CHED C[C@H](NCCc1ccc(F)c(F)c1)c1cccc(C#N)c1 181992916 HELURYXGZOVTSZ-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Cc1cccc(F)c1 182644353 UCHJPWWUZCXUMY-KBPBESRZSA-N 277.383 3.865 30 20 CHED C=CCOc1ccc(C(=O)N2CCc3c(F)cccc32)cc1 183761373 FCRKEUTXXFHMOC-UHFFFAOYSA-N 297.329 3.593 30 20 CHED CC[C@H](CC#N)NC(=O)C(CC)(CC)c1ccccc1 183968902 LVYXVEHENGFVEN-OAHLLOKOSA-N 272.392 3.553 30 20 CHED COc1ccc(CNCCCCCCSC)cc1C#N 184179355 KELYHEKKPUSRIS-UHFFFAOYSA-N 292.448 3.580 30 20 CHED C=C[C@@H](CC(=O)N1CCCC[C@@H](C)C1)c1ccccc1 184380435 ZLVZHKVJMVGHHZ-CVEARBPZSA-N 271.404 3.995 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccncc2Cl)n1 184534426 NWERDWFLXQBFKT-UHFFFAOYSA-N 289.791 3.911 30 20 CHED CSc1cccc(C)c1NC(=O)c1ccc(C#N)cc1 184607037 LODCUCHXKDLICX-UHFFFAOYSA-N 282.368 3.841 30 20 CHED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)cc1 185845533 SXACRZXZJIOVKV-ZOBUZTSGSA-N 294.402 3.605 30 20 CHED C=CCCCC(=O)Oc1ccccc1OC(F)(F)F 186324000 LAOCUCYOBODDJZ-UHFFFAOYSA-N 274.238 3.847 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2sccc2C1 187063552 QQHWWZRRLBSHNZ-LBPRGKRZSA-N 268.385 3.739 30 20 CHED C=CCC[C@@H](C(=O)NCCSCC=C)c1ccccc1 189035067 FPBWWXFZGXHWSO-MRXNPFEDSA-N 289.444 3.772 30 20 CHED Cc1ccc(NC(=O)c2cccc(F)c2C#N)c(Cl)c1 189422327 CQZYZPTZXJGDFC-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC#CCNC(=O)Nc1c(CCC)cccc1C(C)C 189968262 ZMEOGRYFRQQNGW-UHFFFAOYSA-N 272.392 3.907 30 20 CHED Cc1c([C@H](C)NCc2cc(C#N)n(C)c2)oc2ccccc12 190791816 RHWLRJFMIMWEHY-ZDUSSCGKSA-N 293.370 3.802 30 20 CHED C#CCCCC(=O)N[C@@H](CC(C)C)c1ccccc1 192085586 QVVBSRCHYSVJOX-INIZCTEOSA-N 257.377 3.694 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl 193174592 MMONYWWGLLRXRG-ZDUSSCGKSA-N 294.826 3.873 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(C(F)F)c1 195420609 RNDOGFXBDGFBGS-SNVBAGLBSA-N 269.291 3.544 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1ccc(O)cc1)O2 214006491 SNOJBFONPRKSDO-CXUHLZMHSA-N 266.296 3.625 30 20 CHED CO[C@@]1(C)CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 230264415 FSWKZYZEMNOLEA-AWEZNQCLSA-N 298.308 3.582 30 20 CHED CC[C@H](C)[C@@H](C)NCc1cccc(OCCCC#N)c1 237032886 FQTLZJXXUSGBHS-LSDHHAIUSA-N 274.408 3.893 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2CCCc3ccccc32)C1 248944662 ZBYMJGKIXVIGAX-PVAVHDDUSA-N 268.404 3.778 30 20 CHED CCCc1ccccc1N=Cc1ccc(O)c(O)c1O 255767584 GXOPXDXMZLUICQ-UHFFFAOYSA-N 271.316 3.507 30 20 CHED N#CCOc1ccc(CN2CCC[C@H]2c2cccs2)cc1 264089134 FPMWYZFTFKUFKV-INIZCTEOSA-N 298.411 3.988 30 20 CHED CC/C=C(\C)C(=O)Nc1cc(C#N)ccc1OC(C)C 264298245 YHSKXQRRWSLGDD-WUXMJOGZSA-N 272.348 3.640 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@@H]3CCCOC3)c2c1 266435804 VEDRUIXLTAOVLJ-AWEZNQCLSA-N 295.386 3.562 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C)cc1OCC)OCC 270069644 XAPRHHATOZEANG-OAHLLOKOSA-N 291.391 3.704 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1ccc(CC#N)cc1)C1CC1 270316139 SLEWAXGSXJHFRO-KBPBESRZSA-N 284.403 3.792 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)s1 271198421 SIGJTUPOKQAGFO-CYBMUJFWSA-N 286.375 3.748 30 20 CHED CCOc1cccc([C@H](C)NCCC(C)(C)C#N)c1 271987958 DDCAGIOBNDUDGL-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED C[C@H]1COc2ccccc2CN1CC(C)(C)CCC#N 272935627 LDCPLOJGXVYTQE-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccccc2F)no1 273715647 LSDPARBYUIPRTK-SNVBAGLBSA-N 262.284 3.529 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cc(C)cc(F)c2)no1 273769171 UGCZPHBKYMNWRK-LLVKDONJSA-N 276.311 3.838 30 20 CHED C=CCC1(C(=O)Nc2ccncc2Br)CCC1 276786605 IXQZWHIYGSMPPY-UHFFFAOYSA-N 295.180 3.529 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 280757000 UGUCTAJFYUOELK-BFYDXBDKSA-N 257.377 3.651 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 281435557 RHHNFEYLSKSJKQ-CYBMUJFWSA-N 284.363 3.553 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(OCC)c1 281448077 SQKXXMLAWPJEDX-LBPRGKRZSA-N 292.379 3.570 30 20 CHED CC(C)(C)CCn1cc(C#N)c(=O)c2cc(Cl)ccc21 284243818 NZVBGUQWHRPDJA-UHFFFAOYSA-N 288.778 3.963 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 285583906 VIWMIUWHEQAAQC-SJCJKPOMSA-N 288.391 3.914 30 20 CHED Cc1ccnc(-c2ccc(NCCC(C)(C)C#N)cc2)n1 288648569 DTKXQKJHKJMXBW-UHFFFAOYSA-N 280.375 3.804 30 20 CHED C[C@@H](CC#N)NC(=O)C1(Cc2cccs2)CCCCC1 290015125 BWUAFBLYLXQLHV-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccc(C2CCCC2)cc1 290301808 FDVGYHZWNHZVSV-CYBMUJFWSA-N 270.376 3.718 30 20 CHED CCC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 291373299 DIBNXRNYEMKBGB-LSDHHAIUSA-N 272.392 3.625 30 20 CHED C=CCC(C)(C)C(=O)NCC1(c2ccc(F)cc2)CC1 292217172 JRZLFCCFVKEVRH-UHFFFAOYSA-N 275.367 3.576 30 20 CHED C=CCC(C)(C)CNC1CCN(c2ccc(C#N)cc2)CC1 292975185 MQBXXPAIHBCDQR-UHFFFAOYSA-N 297.446 3.719 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(OC(C)C)c1 297362536 RVFURAKYLRZBAU-UHFFFAOYSA-N 276.380 3.904 30 20 CHED C[C@@H]1CN(c2ccc(C#N)c(Br)c2)CC[C@H]1C 300295498 OXCDHKIBIUWYEF-GHMZBOCLSA-N 293.208 3.803 30 20 CHED C#CCCCCNc1c(C#N)cnc2ccc(Cl)cc12 301652909 UAASFQUSBRGJHQ-UHFFFAOYSA-N 283.762 3.975 30 20 CHED N#Cc1ccc(Nc2ccc(Nc3ccccc3)cc2)nn1 301947876 YIPZBYQNHRBLNV-UHFFFAOYSA-N 287.326 3.835 30 20 CHED CCc1cccc(N/C(N)=N/CC2(C3CC3)CCC2)c1 305209355 OKOMYKVLULKNQE-UHFFFAOYSA-N 271.408 3.556 30 20 CHED C#CCOc1ccccc1CNCCCC(C)(C)C 313296519 LNQKICBITMBKNK-UHFFFAOYSA-N 259.393 3.615 30 20 CHED Cc1nc(N2CC[C@H](c3ccccc3)C2)c(Cl)cc1C#N 314349931 MJCWYIGHLXGHBK-AWEZNQCLSA-N 297.789 3.909 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccccc1C(C)(C)C 315922631 GJIKJTRLYLIYGF-UHFFFAOYSA-N 272.392 3.654 30 20 CHED C[C@@H]1CCC[C@@H](C/N=C(/O)c2ncoc2C2CC2)C1 328863219 VVTAVBGDXPUTDL-GHMZBOCLSA-N 262.353 3.683 30 20 CHED CC1(C)C(O)=Nc2cc(/C(O)=N/[C@@H]3C=CCCC3)ccc21 328903834 ILBQVWJJFGDQIV-GFCCVEGCSA-N 284.359 3.979 30 20 CHED CC(O)=Nc1ccc(C/N=C(/O)[C@@H]2CC23CCCC3)cn1 329874215 FMSMCXDFCJDJFO-ZDUSSCGKSA-N 287.363 3.726 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1CC[C@H](C)O1 330099811 ZZKJJGBTQJBJHO-GWCFXTLKSA-N 285.347 3.541 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)s1 330961376 PBAPMMVGSMFZQG-MRVPVSSYSA-N 270.785 3.519 30 20 CHED CC(C)c1cccc(N=C(O)N[C@@H](C(C)C)C(C)(C)O)c1 331191620 WZZHLWUBXKVZPI-HNNXBMFYSA-N 292.423 3.741 30 20 CHED COC(C)(C)C[C@@H](C)/N=C(/O)Nc1c(C)cc(C)nc1C 331306486 GFJFNOOYQNAAAN-GFCCVEGCSA-N 293.411 3.536 30 20 CHED N#CC1(C(=O)NCC2CCCCCC2)CCCCC1 332352664 POJQCSNVTHUTNG-UHFFFAOYSA-N 262.397 3.547 30 20 CHED N#CCc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 332642193 XFYZVQKWRXMZGV-RYQLBKOJSA-N 296.414 3.841 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1scnc1C(C)C 334727567 UPDQLPZQPNWLRH-NSHDSACASA-N 279.409 3.839 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C#N)s1 334935586 NFTRNZGNOWUREN-KRWDZBQOSA-N 293.395 3.659 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(CC#N)c1 334983147 XAXWPKOTWFLXSH-IUODEOHRSA-N 271.364 3.547 30 20 CHED N#Cc1ccc(NC(=O)C2CC3(CCC3)C2)c(Cl)c1 335402912 HBHXSKYOTVSIRH-UHFFFAOYSA-N 274.751 3.730 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1sccc1SC 336316336 ASXDSHUXFOOFBI-SNVBAGLBSA-N 267.419 3.651 30 20 CHED N#Cc1cccnc1N[C@@H]1CCCCC12CCCC2 336812990 BJUQOSHSKONTIC-CQSZACIVSA-N 255.365 3.868 30 20 CHED C=CCOCCN[C@@H](CCC)c1ccc(F)cc1F 339076840 GXBQMBGNQBORAD-HNNXBMFYSA-N 269.335 3.598 30 20 CHED C=CCCSCC(=O)N(c1ccccc1)C(C)C 339092291 XAGWDZMQMNGPIV-UHFFFAOYSA-N 263.406 3.737 30 20 CHED N#Cc1ccc(SCc2ccc(C(F)(F)F)cn2)nc1 340604342 RCSOBMRQJWTESB-UHFFFAOYSA-N 295.289 3.659 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H](C)c2cccc(F)c2)n1 341024769 HWPBAFMFUHEQSH-SNVBAGLBSA-N 287.363 3.958 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)Nc1scc(C)c1C#N 344906955 YMXUNRBUGHJKEI-CYBMUJFWSA-N 292.404 3.605 30 20 CHED CC1(C)CC(C(=O)Nc2ccc(Cl)c(C#N)c2)C1 349486360 YDMQHDKSLHIZFA-UHFFFAOYSA-N 262.740 3.586 30 20 CHED C=CCCCCCN1CCC(Oc2ccncc2C)CC1 352348834 FYYNDZIKNQHKJR-UHFFFAOYSA-N 288.435 3.980 30 20 CHED C=CC[C@@H](C)NC(=O)c1nc(C)sc1-c1ccccc1 352438248 QEMXOKPRRUMSEV-LLVKDONJSA-N 286.400 3.813 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(SCC)nc1 352533906 AXGIQWJOPBRPKN-UHFFFAOYSA-N 278.421 3.526 30 20 CHED CCCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 353024504 OYHCLBWNTPFVKU-UHFFFAOYSA-N 290.382 3.731 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](CC)c1ccccc1 353174108 OPSKUIIJUHPYME-LSDHHAIUSA-N 260.381 3.792 30 20 CHED CN(Cc1nc(-c2ccccc2)cs1)CC(C)(C)C#N 354019421 YFAGURMGSXXBFC-UHFFFAOYSA-N 285.416 3.792 30 20 CHED C[C@@H](C#N)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 354761412 MISQJFGBARZSFB-UONOGXRCSA-N 270.376 3.536 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccc(SC)cc1 355652645 MXOFNOAREFJVJE-UHFFFAOYSA-N 297.383 3.574 30 20 CHED CC1CCC(c2noc(COc3ccccc3C#N)n2)CC1 356190593 IHMVQWGBNMTFFH-UHFFFAOYSA-N 297.358 3.814 30 20 CHED C=CCCC1(C(=O)NCc2cc(F)ccc2SC)CC1 356244417 IDTFJYMZRWYIBB-UHFFFAOYSA-N 293.407 3.910 30 20 CHED C=CCCCC(=O)Nc1cccc(-n2cccc2)c1 357342542 XDSJJTPEZIOZKX-UHFFFAOYSA-N 254.333 3.772 30 20 CHED C=CCN(Cc1ccc(OCc2ccncc2)cc1)C1CC1 357554728 SCDWUFBCAYBTCM-UHFFFAOYSA-N 294.398 3.811 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCc1ccc(C#N)c(F)c1 361768122 QKOBBTXSVFVYJA-BFQNTYOBSA-N 260.356 3.612 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC=C(F)C3)c2c1 362650414 UZSBWQHPUJAALL-UHFFFAOYSA-N 281.334 3.787 30 20 CHED CCCCN(Cc1cc(F)ccc1C#N)CC(F)(F)F 387031023 OKSNTYYHYHFWAQ-UHFFFAOYSA-N 288.288 3.862 30 20 CHED Cc1ccc2oc(C(=O)N3CCC[C@@H](CC#N)C3)cc2c1 397682561 KOEAXUGEQYMANV-ZDUSSCGKSA-N 282.343 3.507 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 410135597 GDBHBHBZDDPGLZ-UBHSHLNASA-N 277.795 3.914 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H](C)C2CCC2)c1C#N 410435623 QABYIEFJRWTZGN-VIFPVBQESA-N 276.405 3.865 30 20 CHED C[C@H](C#N)N(C)C(=O)C1(C2CCCCC2)CCCCC1 410883179 LZZORYVRRFDXPB-CQSZACIVSA-N 276.424 3.888 30 20 CHED CCC(CC)(CC(=O)OC)NCCC1(C#N)CCCCC1 411387917 KGCMQCVWOYQOLD-UHFFFAOYSA-N 294.439 3.562 30 20 CHED CCc1ccc([C@H]2CCN([C@@H](C)CCC#N)C2)cc1 411760911 TUOJGYCPGLLORM-YOEHRIQHSA-N 256.393 3.731 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC2(CCC2)C1 413823836 BEKNOSOTQDWLFE-KRWDZBQOSA-N 298.430 3.759 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H](C)CC(F)F)c1C#N 415115282 DLUKKMKZJUEPQA-ZETCQYMHSA-N 286.347 3.720 30 20 CHED CC(C)c1nnc(CSCc2cccc(C#N)c2)s1 419528460 HZXNXIWYQLXKPK-UHFFFAOYSA-N 289.429 3.967 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)NCC1(C#N)CCC1 419623252 HWWAVOBOHXIPDR-HNNXBMFYSA-N 299.418 3.691 30 20 CHED C=CCNCc1cnn(C2CCCC2)c1-c1ccccc1 421379788 HFVJEPUBSMJANG-UHFFFAOYSA-N 281.403 3.941 30 20 CHED CC[C@H](NCc1cc(C)nc(C)c1)c1ccc(C#N)cc1 421858111 QGMBRRSWRGJJCL-SFHVURJKSA-N 279.387 3.811 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cccc(NC(=O)CC)c2)no1 424334322 FSQUZDIHAZIPQH-UHFFFAOYSA-N 299.374 3.939 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](C)c1ccc(F)cc1 424594585 FYMUASVOTAYVDH-LBPRGKRZSA-N 263.356 3.648 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC1 425143400 AMPKJNCHBSBDFV-LSDHHAIUSA-N 261.409 3.818 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N(C)C[C@H](C)C#N)cc1 429594828 SMSUKGLMQRAPSE-CABCVRRESA-N 286.419 3.607 30 20 CHED CN(CCCCc1ccccc1)[C@H]1CC[C@H](C#N)C1 429723714 KTAGREWQSUONHH-IRXDYDNUSA-N 256.393 3.633 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@H]2CC[C@@H](C)C2)c1 429752873 PTAGCXHQYDIVSM-HIFRSBDPSA-N 288.391 3.904 30 20 CHED CC(C)c1ccccc1NC(=O)NCC1(CC#N)CC1 429814355 ZJVSEKZAUSJDQS-UHFFFAOYSA-N 271.364 3.625 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(F)c(OC)c(F)c1 432917729 QGBHOXCDBBZTKJ-UHFFFAOYSA-N 298.333 3.697 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCC[C@H](C(C)C)C2)c1 436466283 PGSKRVHGECUWOP-INIZCTEOSA-N 270.376 3.633 30 20 CHED C[C@H]1[C@H](C)CCCN1Cc1ccc(C#N)cc1OC(F)F 437899900 XVJMKPUGNNJFEA-NEPJUHHUSA-N 294.345 3.780 30 20 CHED C[C@@H](CN(CC#N)C1CCCC1)c1ccc(F)cc1 438095381 INVNRBRFTOCYEE-ZDUSSCGKSA-N 260.356 3.697 30 20 CHED C=CC[C@H](CC)Nc1ncnc2cc(F)c(F)cc12 440639640 QAQIKMDQKCAVEQ-VIFPVBQESA-N 263.291 3.675 30 20 CHED C=C(C)COCCNC(=O)Nc1cc(C)c(Cl)c(C)c1 442443605 NPLYRDKSPNVWHD-UHFFFAOYSA-N 296.798 3.671 30 20 CHED COc1cc(OCCSCc2ccccc2)ccc1C#N 447786149 ITMTVPLVFKVGPS-UHFFFAOYSA-N 299.395 3.879 30 20 CHED C[C@H](NC(=O)[C@@]1(C)CCC[C@@H]1C)c1ccc(C#N)cc1 448666135 SUCUSOIOEAUXCT-DCGLDWPTSA-N 270.376 3.562 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 448747066 DLYWOEMWTQZPKH-RYRKJORJSA-N 299.414 3.646 30 20 CHED COc1cccc2c1CC[C@@H](Nc1cccc(CC#N)c1)C2 449696205 JTALCWHVQCREMW-QGZVFWFLSA-N 292.382 3.731 30 20 CHED Cc1cc(C#N)cc(NC2CCC(C)(C#N)CC2)c1 449760329 NQMQPRNXURGGFI-UHFFFAOYSA-N 253.349 3.751 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cc2ccccc2o1 450726581 VCNJDUHKTWZGIJ-LBPRGKRZSA-N 254.333 3.777 30 20 CHED C=CCCc1noc(C2(c3ccc(OC)cc3)CCC2)n1 453226141 FBNYJWSMXHBARR-UHFFFAOYSA-N 284.359 3.667 30 20 CHED Cc1ncsc1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455974534 RELYQHMSOHRFEE-UHFFFAOYSA-N 299.399 3.531 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@H]1C[C@H]2CC[C@H]1O2 456028115 OUUSEGAABRIQRE-KZNAEPCWSA-N 299.414 3.549 30 20 CHED C[C@H](C#N)C(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 457126871 PYHIIIFCBHRWLV-UXIGCNINSA-N 290.794 3.642 30 20 CHED CCCC[C@@H](NC(=O)NCC(C)(C)CC#N)C1CCC1 459257084 JOJRBLIOFNUKIW-CQSZACIVSA-N 279.428 3.584 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc(Cl)cc1 459734564 RUKWZACFDSMGLV-LLVKDONJSA-N 250.773 3.930 30 20 CHED N#Cc1ccc(SC[C@H]2CCC3(CCCCC3)O2)nc1 466482495 RIOPYYOZMDWXDW-CQSZACIVSA-N 288.416 3.927 30 20 CHED C=CCCN(C)C(=O)[C@@H](CC)Oc1ccccc1Cl 466636844 XIYLNQZNROGVMQ-CYBMUJFWSA-N 281.783 3.532 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 466968500 YPOSCIJFHKSBAS-LRDDRELGSA-N 290.382 3.667 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)C2(C#N)CCC2)CC(C)(C)C1 470165646 NQIRXMMTCAZABE-ZIAGYGMSSA-N 276.424 3.649 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](C#N)C1 471590740 OFTAOZKKMDHUJA-ZLDLUXBVSA-N 296.336 3.918 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ncoc1-c1ccccc1 473949273 VZWXPOPCDUNALJ-KRWDZBQOSA-N 284.359 3.560 30 20 CHED COc1cc(NCc2cccc(C#N)c2)c(C)cc1C 475671702 XPQKMKBKECRQTD-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Oc1cccc(C(C)C)c1 479306846 LTUXLQBEZZXMIA-AWEZNQCLSA-N 275.392 3.612 30 20 CHED CCC[C@@H](CC)S(=O)(=O)CCCCC(C)(C)C#N 479652624 QLBYVJNAGNCVMJ-CYBMUJFWSA-N 273.442 3.700 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncc(-c2ccccc2)cn1 484679258 LEPQREMWBSRRRV-UHFFFAOYSA-N 293.370 3.851 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1sccc1C 488813442 HSMIIJZFNCTGCU-HZSPNIEDSA-N 275.417 3.727 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccn(C(CC)CC)n1 489828224 PBKLZGBVZTWSPB-UHFFFAOYSA-N 277.412 3.576 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C\c1ccsc1 491494865 ZRPCGDSKDUXDKU-PLNGDYQASA-N 276.405 3.550 30 20 CHED CC#CCCNCc1ccc(Oc2cccnc2)c(C)c1 499209568 FADJOMZXKDQMRV-UHFFFAOYSA-N 280.371 3.685 30 20 CHED CC[C@H]1C[C@@]1(NC(=O)CC(C)(C)C#N)c1cccc(C)c1 501650961 QYTPVNPXXWYGHN-KSSFIOAISA-N 284.403 3.676 30 20 CHED C=CCN(CC=C)C(=O)NC[C@H](c1ccccc1)C(C)C 505198880 SOTKDCKLSKUZND-KRWDZBQOSA-N 286.419 3.810 30 20 CHED C=CCN(CC=C)C(=O)NCC[C@@H]1CCCC[C@H]1C 512846899 RRYOGEMRUSDCSE-CABCVRRESA-N 264.413 3.586 30 20 CHED CCc1cc(C#N)c(NC(=O)CC[C@@H](C)CC)s1 516338373 RPPYSMVRFBDMPE-JTQLQIEISA-N 264.394 3.947 30 20 CHED CC(C)(NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 520041666 BRKHWLBLRUJGLY-UHFFFAOYSA-N 293.370 3.809 30 20 CHED CC(C)N(CCC#N)C(=O)c1csc2c1CC[C@H](C)C2 522590372 NNCJNIHSDNBINE-LBPRGKRZSA-N 290.432 3.637 30 20 CHED C=CC[C@@H](C)NC(=O)NC[C@H](c1ccccc1)C(C)C 522594180 FAOOYOLZOQLCHD-ZBFHGGJFSA-N 274.408 3.690 30 20 CHED Cc1ccc2[nH]c(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)cc2c1 522648359 HQACDSSHYJZVOK-UGSOOPFHSA-N 295.386 3.679 30 20 CHED CCC[C@H](C#N)NC(=O)c1sc(-c2ccccc2)nc1C 522959365 IVJRUMVEZANLHU-CYBMUJFWSA-N 299.399 3.541 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc2c1ccn2C 524665622 VIKJGNOVEHIKPC-UHFFFAOYSA-N 271.364 3.608 30 20 CHED Cc1ccccc1OCCN(C)[C@@H](C)c1ccc(C#N)cc1 532894487 YFTGKMOEQNDLHV-INIZCTEOSA-N 294.398 3.939 30 20 CHED N#Cc1ccn(Cc2ccc(Cl)cc2Br)c1 534391334 XKAVVZXSBPECNH-UHFFFAOYSA-N 295.567 3.824 30 20 CHED N#Cc1c(F)cccc1OCC#Cc1ccc(Cl)cc1 534397921 XOSWHTGEDNJOLJ-UHFFFAOYSA-N 285.705 3.781 30 20 CHED C=C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 535151958 BLUPKGXAECBQIL-HRCADAONSA-N 261.409 3.772 30 20 CHED CC(C)OC1CCN(c2ccc3cc(C#N)ccc3n2)CC1 536759939 GUJHRLNSKUBEBG-UHFFFAOYSA-N 295.386 3.500 30 20 CHED Cc1cc(C)c(CCNCc2ccc(C#N)s2)c(C)c1 537317431 GYNFSUZZPRWNOD-UHFFFAOYSA-N 284.428 3.877 30 20 CHED CC(C)(C#N)CCN1CCC(C)(c2ccccc2)CC1 537366128 KKYWMIMVEDRZCT-UHFFFAOYSA-N 270.420 3.980 30 20 CHED C=CCOc1ccc(CN[C@@]2(C)CCCOC2)cc1Cl 537865968 DPPDEQNXFLLXQI-INIZCTEOSA-N 295.810 3.564 30 20 CHED CCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C1(CC)CC 540611753 DIGUZVVHWBAWPR-HUUCEWRRSA-N 292.448 3.693 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1c1cccc(C#N)n1 541206997 FXYXKFFGOPSCNI-GDBMZVCRSA-N 277.371 3.726 30 20 CHED Cc1ccnc(N2CCC[C@@H]2CCC(C)C)c1C#N 542277897 DBEZWFGJWPVKFU-CQSZACIVSA-N 257.381 3.667 30 20 CHED CC[C@H]1CCCN(c2cc(C(C)=O)ccc2C#N)CC1 542505855 ASDGUGXOIBHWKV-AWEZNQCLSA-N 270.376 3.777 30 20 CHED CC#CCCNC(=O)c1cccc(-c2c(F)cccc2F)c1 544581959 QAPPUMDQEXCCOP-UHFFFAOYSA-N 299.320 3.775 30 20 CHED CC(C)CCc1noc(C2(c3cccc(C#N)c3)CC2)n1 547116934 ZHYOMGIBFJLMGU-UHFFFAOYSA-N 281.359 3.610 30 20 CHED C=CCCCCNC(=O)COc1ccccc1C(C)C 547431411 XSRBMBCWDMCJGW-UHFFFAOYSA-N 275.392 3.661 30 20 CHED C=CCC(C)(C)c1noc(-c2cncc(CC)c2)n1 551499333 OMCUHNBCLSUNBD-UHFFFAOYSA-N 257.337 3.548 30 20 CHED C=CCC(C)(C)c1noc(COc2cc(C)ccc2F)n1 556364688 IKYHVZWUOFQBOF-UHFFFAOYSA-N 290.338 3.950 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@@H]1CCCC 556415980 KYWVDSSYVUVPFP-LSDHHAIUSA-N 264.413 3.729 30 20 CHED CCC1(C(=O)Nc2cc(C#N)ccc2NC)CCCCC1 557061333 IKXQMFMWUZDURL-UHFFFAOYSA-N 285.391 3.899 30 20 CHED Cc1cccc(C2(CNC[C@H](C#N)CCC#N)CCCC2)c1 558506872 RUTAKCIDIDELMH-KRWDZBQOSA-N 295.430 3.840 30 20 CHED C=CCCCCN[C@H](C)c1noc(Cc2ccccc2)n1 569070676 WPOUARFGXHOWCY-CQSZACIVSA-N 285.391 3.667 30 20 CHED Cc1csc(NC(=O)N(CC(C)C)C2CC2)c1C#N 570223198 OJKARTRGNXEZRD-UHFFFAOYSA-N 277.393 3.581 30 20 CHED CC(C)(C#N)CC[S@@](=O)C1CCC(C(F)(F)F)CC1 577708310 GJUPEUQNVAPFGW-DXCDZHAYSA-N 295.370 3.796 30 20 CHED C=C1CCN(Cc2csc(Cc3ccccc3)n2)CC1 579094521 YSJFQEOVBNMSFM-UHFFFAOYSA-N 284.428 3.886 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@@H](C)C[C@@H]1CC 579410804 YERBJTNHLWSIGK-ZFWWWQNUSA-N 288.439 3.747 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@@H]1c1ccccc1 580807531 YJSVKYUWYQIYGC-MRXNPFEDSA-N 296.418 3.758 30 20 CHED N#C[C@H]1CC[C@H](Sc2nnc(-c3ccc(F)cc3)o2)C1 581865480 IYNSIJGEVVDART-CABZTGNLSA-N 289.335 3.660 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 584031677 XTULTEVQJLDXQR-SGIREYDYSA-N 286.375 3.501 30 20 CHED CCN(CCC#N)C(=O)c1cc2cccc(Cl)c2s1 584780711 HTUAQAPSMSJVDX-UHFFFAOYSA-N 292.791 3.930 30 20 CHED CCCCO[C@@H]1C[C@H](NC(=O)CCCCCC#N)C1(C)C 588160374 JUPFEACMXCGRSK-LSDHHAIUSA-N 294.439 3.560 30 20 CHED N#CCCCCCC(=O)N1CCc2ccc(Cl)cc2C1 588162839 JHOPZPVYUNBYMM-UHFFFAOYSA-N 290.794 3.699 30 20 CHED CC(=NOCCCO)c1ccc(-c2ccc(F)cc2)s1 588387072 NUPHRRFLXXMTKJ-UHFFFAOYSA-N 293.363 3.677 30 20 CHED CCCc1cccc(/C=C2/CCc3nc(O)ccc3C2=O)c1 588508969 ZKCKTEYIASTQAX-QINSGFPZSA-N 293.366 3.952 30 20 CHED O=C(/C=C\c1cccc(C(=O)O)c1Cl)c1ccccc1 588558392 XDHUZMQVUSUWNW-KTKRTIGZSA-N 286.714 3.934 30 20 CHED N#CCCCCCC(=O)Nc1cc(F)cc(Cl)c1O 588683159 BDWPHUWVWOEFHG-UHFFFAOYSA-N 284.718 3.597 30 20 CHED COCCC1(CNC(=O)CCCCCC#N)CCCCC1 588688961 OHKVQEQUSSZXAV-UHFFFAOYSA-N 294.439 3.564 30 20 CHED CC(F)(F)c1ccc(CNC(=O)CCCCCC#N)cc1 590098531 FHYBKLYVVWYUMQ-UHFFFAOYSA-N 294.345 3.889 30 20 CHED N#C[C@@]1(C(=O)Nc2cccc3cc[nH]c23)CC12CCCC2 590740631 CJVYYVZJHSHDDT-QGZVFWFLSA-N 279.343 3.580 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H](CC(F)(F)F)C1 591536398 RKNKANKMRITBJV-GFCCVEGCSA-N 290.329 3.651 30 20 CHED C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 591768102 FTBWLKIMOCDLJF-XEZPLFJOSA-N 270.376 3.562 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(CC#N)cc1 592391654 VMBJJGRPBIMSJJ-DJJJIMSYSA-N 294.373 3.915 30 20 CHED N#CCC1(CNc2cc(Cl)ccc2-n2cccn2)CC1 594701505 QYGKKIMMFNZRIE-UHFFFAOYSA-N 286.766 3.631 30 20 CHED CCN(CCCSCc1ccccc1)[C@@H](C)C#N 595821639 YGFRZHCLMKBGOH-AWEZNQCLSA-N 262.422 3.544 30 20 CHED Cc1ccc(C#N)nc1N1CCC[C@H]1c1ccsc1 596076845 QLGJWFBUOSGDNI-AWEZNQCLSA-N 269.373 3.665 30 20 CHED Cc1cccnc1CSCCc1ccc(C#N)cc1 596353577 YSNCMYCDZZMIPU-UHFFFAOYSA-N 268.385 3.738 30 20 CHED Cc1sc(NC(=O)c2cc(C#N)cs2)nc1C(C)C 597894207 KJDQNIKVHVCBQA-UHFFFAOYSA-N 291.401 3.760 30 20 CHED C[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccc(Cl)s1 597907852 IPAPKOFFUJOIIQ-WDEREUQCSA-N 296.823 3.657 30 20 CHED CCN(C(=O)C1CC2(CC2)C1)c1ccc(C#N)c(Cl)c1 598820408 IGKJJEXGJCARJE-UHFFFAOYSA-N 288.778 3.755 30 20 CHED N#CC1(N(C(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)C2CC2)CCC1 598833840 MIUVYMZZCGGJDC-ZSHCYNCHSA-N 286.419 3.640 30 20 CHED CC[C@@H]1Cc2c(cccc2-c2ccc(C#N)cc2)CN1 600777687 RUWULNDMEMDTHG-MRXNPFEDSA-N 262.356 3.650 30 20 CHED CC(C)Oc1cccc(CN(C)C[C@H](C)CCC#N)c1 602483781 LORPLTYLFYFYMC-OAHLLOKOSA-N 274.408 3.845 30 20 CHED COc1ccccc1C1(CNC[C@@H](C)CCC#N)CCC1 602616661 MMRLYMBOELENIY-HNNXBMFYSA-N 286.419 3.646 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1ccc2nc(O)oc2c1 602991909 XEYQOROVZLPQFQ-LLVKDONJSA-N 287.363 3.514 30 20 CHED CCCCc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1 603511020 DHMKGWCZGBKSSB-UHFFFAOYSA-N 292.382 3.831 30 20 CHED Cc1ccc([C@@H](C)N(C)CCOc2cccc(C#N)c2)cc1 603849789 LQGRHZHXVCSQRW-MRXNPFEDSA-N 294.398 3.939 30 20 CHED Cc1nnc(NCc2cc3c(s2)CCCC3)c(C#N)c1C 603867341 NCICJGBOLPHVKQ-UHFFFAOYSA-N 298.415 3.518 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc2occc2s1 609860728 KDUKRBJDWRTHLU-UHFFFAOYSA-N 290.388 3.896 30 20 CHED Cc1cccc2c(N3CCc4ccccc4C3)c(C#N)cnc12 610210898 JEVAZNLUFVVIIE-UHFFFAOYSA-N 299.377 3.978 30 20 CHED CCn1nc(C)c(CNc2c(Cl)cccc2C#N)c1C 610275905 ASRLSJWRQLVMNQ-UHFFFAOYSA-N 288.782 3.657 30 20 CHED CC1CCC(C)(NC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 610404796 KLMGGRJMPNTPFL-FVRSWCFKSA-N 299.418 3.887 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCc1cccs1 611390417 YGTGYWNQCRUWMS-QGZVFWFLSA-N 282.412 3.829 30 20 CHED CCCc1cccc(CN2CCC[C@@](C)(C#N)C2)c1 614247804 BTPIFLJERQJUTD-KRWDZBQOSA-N 256.393 3.765 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc(C2CC2)cc1 614512144 FSIONFMTZQOPMO-UHFFFAOYSA-N 280.302 3.827 30 20 CHED CCOC1CC(CCN[C@@H]2CCCc3cc(C#N)ccc32)C1 616094636 MXKNDYOPNRMLPB-ITXXBFQVSA-N 298.430 3.730 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CNc2ccccc2Cl)C1 617785123 DPYVHDQFRWDLEP-CYBMUJFWSA-N 292.810 3.567 30 20 CHED C=CCN(C(=O)CCc1cccc(C)c1)C(C)(C)C 622943039 LSFMNTHBDRXTLC-UHFFFAOYSA-N 259.393 3.741 30 20 CHED C=CCN(C(=O)CCc1ncc(C(C)(C)C)o1)C(C)(C)C 622944808 GOVHCNQPZLLXNY-UHFFFAOYSA-N 292.423 3.718 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](c2ccccc2)C1 647072530 NHKURTHEBSWQIG-AEFFLSMTSA-N 271.404 3.995 30 20 CHED C=CCN(CCc1ccco1)CCc1noc2ccccc12 653609759 BXYYAWGISXXHHC-UHFFFAOYSA-N 296.370 3.694 30 20 CHED C=CCCN(C)C(=O)CCc1c(Cl)cccc1Cl 653758298 YVLCWNNCZOJXBC-UHFFFAOYSA-N 286.202 3.961 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc(C(=O)O)c(Cl)c2)C1 656760667 XEVRUQDTGJJHKB-LBPRGKRZSA-N 293.794 3.826 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCOc2ccccc2[C@@H]1C 661123806 SCKRWGYEBSEHDC-KBPBESRZSA-N 288.391 3.506 30 20 CHED C=CCCNC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 661570184 JTGIODWRCDTUMM-UHFFFAOYSA-N 284.403 3.678 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C)c3cn[nH]c23)C1 666054626 HIXHCTBGGGOUGY-CYBMUJFWSA-N 298.390 3.691 30 20 CHED C=CCC[C@@H](NC[C@H](OC)C(C)(C)C)c1ccco1 671749544 HDERZHCWWWIJJK-HIFRSBDPSA-N 265.397 3.938 30 20 CHED C=C(CNC(=O)C[C@@H](C)CC(C)C)c1ccccc1 672482659 QULQSPXRAKKFEV-AWEZNQCLSA-N 259.393 3.888 30 20 CHED C#CCN(C(=O)[C@@H](C)c1ccccc1)C1CCCCC1 688804666 ANBQQCNCWVWSNJ-HNNXBMFYSA-N 269.388 3.585 30 20 CHED CCC(=NNc1cnc2ccccc2n1)c1cccs1 727258955 XMRHDYGNUZGFQW-UHFFFAOYSA-N 282.372 3.918 30 20 CHED CCc1ccc(C(=O)OCc2ccc(F)cc2C#N)cc1 728613388 FEICOKUXENOEMZ-UHFFFAOYSA-N 283.302 3.617 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(O)cc1F 729931488 IJOPIJQDGHRWFM-UHFFFAOYSA-N 258.296 3.676 30 20 CHED Cc1cccc2c1CCC2=NN=c1cc[nH]c2ccccc12 730148002 MEDADAYTOOZIEU-UHFFFAOYSA-N 287.366 3.728 30 20 CHED CCN(CC)Cc1ccccc1C/N=C\c1ccccc1O 730547903 AAFBFKYLKUEXJS-ZHZULCJRSA-N 296.414 3.853 30 20 CHED CCCCCC[C@H](C)CC(=O)Nc1ccc(C#N)cn1 731989276 TWJVSINSZXPLFB-ZDUSSCGKSA-N 273.380 3.888 30 20 CHED C#CCCOc1ccc(CNCC2(C)CCCC2)cc1 733328648 XDOXDCRZFDTDBX-UHFFFAOYSA-N 271.404 3.759 30 20 CHED C=CCN(C(=O)NCC(C)(C)c1cccs1)C(C)C 734072400 YFOVSQGGSFHZNA-UHFFFAOYSA-N 280.437 3.632 30 20 CHED CCC(CC)NN=Cc1ccccc1OCc1cccnc1 734365020 PODPZXOVNPLEKX-UHFFFAOYSA-N 297.402 3.773 30 20 CHED Fc1ccccc1NN=Cc1occc1Br 735226909 FKDNRUJHDLOHBT-UHFFFAOYSA-N 283.100 3.627 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(C)c2)C12CCC2 741160429 OYMCTFRARIJPQR-OAHLLOKOSA-N 258.365 3.742 30 20 CHED C#CCN(Cc1cccc(C)n1)[C@H]1CCc2ccccc21 745983075 DJWMDJCWBAKUOV-IBGZPJMESA-N 276.383 3.513 30 20 CHED O=C1/C(=C/C=C\c2ccc(F)cc2)Cc2c(O)cccc21 747697343 XYBWVGBDSJQMDI-JUEGJEBCSA-N 280.298 3.910 30 20 CHED CC[C@@H](C/N=C\c1ccccc1O)Oc1ccccc1F 749008572 XWJACGJRLBYDOZ-KVMVOAJRSA-N 287.334 3.808 30 20 CHED CC(=NNCC(F)F)c1cc2cc(C)c(C)cc2o1 749164841 PWGGGRVPWJSACK-UHFFFAOYSA-N 266.291 3.628 30 20 CHED COc1cc(C(C)=NNc2ccc(F)cc2C)ccc1O 750938040 AICDQJAWNNTLDY-UHFFFAOYSA-N 288.322 3.684 30 20 CHED C=C(Br)CN1CCSC2(CCCCC2)C1 750984588 UJXAZANFCXUAQH-UHFFFAOYSA-N 290.270 3.647 30 20 CHED COC(=O)c1ccc(/C=C2\C[C@H](C)c3ccccc3C2=O)[nH]1 751534795 FIOGKLFHKYOHHU-OCUQMRJBSA-N 295.338 3.575 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc(F)c(C#N)c2)co1 752879294 GHLVMIYWLHTBSE-GQCTYLIASA-N 284.290 3.705 30 20 CHED CCN(C(=O)/C=C1\CC[C@H](C)C1)c1ccc(C#N)cc1 753178289 PJIOMMNHFGRWGK-JMRXEAOASA-N 268.360 3.658 30 20 CHED CON=C1CCC(O)(c2ccc(C(C)C)cc2)CC1 753924739 UIJIXYBMFOTDGN-UHFFFAOYSA-N 261.365 3.574 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1ccc(O)c(F)c1)CO2 755594429 SPFQLNLHXDAPBX-QPEQYQDCSA-N 298.313 3.807 30 20 CHED CC1(C)C(=NNCc2cccc(Cl)c2)[C@H]2CCCO[C@@H]21 756826980 HSHILUBDCGBHAU-HIFRSBDPSA-N 292.810 3.621 30 20 CHED C#CC[C@H](/N=C/c1cccc(OCC)c1O)c1ccccc1 756847415 RVMXQSQODMCHON-TYSUYXETSA-N 293.366 3.974 30 20 CHED N#CCOc1cccc(NC(=O)c2cc(Cl)cs2)c1 757852944 CRKOGHZCXVYKJF-UHFFFAOYSA-N 292.747 3.556 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1cc(Cl)cs1 757892925 AUYLRVOWJQRIIE-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C#CCCCC(=O)Nc1ccc(Cl)c2ncccc12 757919025 CCDSGWUQSMGIFM-UHFFFAOYSA-N 272.735 3.630 30 20 CHED C=C(Cl)CNC(=O)N1CCC(CCC(C)C)CC1 759756886 XLGBEDLOSFEBRQ-UHFFFAOYSA-N 272.820 3.597 30 20 CHED C#CCCCC(=O)Nc1ccc(Nc2nc(C)cs2)cc1 760308719 ZZSUJODKZNQKPS-UHFFFAOYSA-N 299.399 3.937 30 20 CHED CCCCCCCCN1C(=O)[C@H](CC)N(C2CC2)C1=O 760925679 KKPGGLHWTLSWIS-AWEZNQCLSA-N 280.412 3.552 30 20 CHED C#CCCc1noc(COc2ccccc2[C@H](C)CC)n1 762017686 JNEMJUMVZDLJJI-CYBMUJFWSA-N 284.359 3.728 30 20 CHED Fc1cccc2[nH]cc(C=NNc3ccccc3)c12 763340801 YMYTYWFJEMVOBD-UHFFFAOYSA-N 253.280 3.753 30 20 CHED COCc1ccc(C=NNc2ccccc2C(F)(F)F)o1 764648831 KYDUOFSXFOZOQT-UHFFFAOYSA-N 298.264 3.891 30 20 CHED Cc1cc(OC(=O)[C@H](C)Cc2ccccc2F)ccc1C#N 765093664 LQLUPXUBNNEOAJ-CYBMUJFWSA-N 297.329 3.790 30 20 CHED C/C(=C\C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 766580940 FGALWIBQOBGDNL-DPCFLFMUSA-N 288.366 3.674 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)c2cccc(F)c2F)c1 766670110 BDEIJMPTCMWXRW-XTTRTJGBSA-N 291.297 3.859 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CC2(Cl)Cl)CCCC1(C)C 767220111 YLSFHLIWYYILTG-QWRGUYRKSA-N 290.234 3.774 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cnc(-c2ccc(C)cc2C)s1 767254004 GGZSCYBNMLQNTE-CYBMUJFWSA-N 298.411 3.521 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(OCCCCCC)cc1 767263468 RIGYLRHQMXXJFF-HNNXBMFYSA-N 287.403 3.739 30 20 CHED Cc1cc(Cl)ccc1C=Nn1cnc2ccccc21 767360028 JSYSWWINFOOGDQ-UHFFFAOYSA-N 269.735 3.880 30 20 CHED CC1CC(C#N)(C(=O)OCCc2c(F)cccc2Cl)C1 767424014 XIPZFNHWBJBDPQ-UHFFFAOYSA-N 295.741 3.505 30 20 CHED C[C@H](OC(=O)C[C@@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 769307940 XBNXVRMKOLYBAW-XEZPLFJOSA-N 271.360 3.989 30 20 CHED C=CCOc1cccnc1C(=O)OCc1ccc(C)cc1C 770119716 UNMPSBVFTPTVTB-UHFFFAOYSA-N 297.354 3.620 30 20 CHED C=CCCCCNC(=O)NCc1cccc(OC(C)C)c1 770333872 XRRZXDVWHTWGHQ-UHFFFAOYSA-N 290.407 3.629 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c1 770569770 URIHLMHTUNGQRG-SOFGYWHQSA-N 281.286 3.602 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(F)cn1 770608619 VRVAOGPWRJNYNY-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C=CCC[C@@H](C)OC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 772782517 WIAQEPFCLRPGOB-CYBMUJFWSA-N 297.354 3.757 30 20 CHED C#C[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 773592318 FOAPFSMTAROKSQ-WMLDXEAASA-N 284.403 3.678 30 20 CHED C[C@H](OC(=O)[C@H](C)c1ccccc1)c1cccc(C#N)c1 774044180 JDVMCUYRBMDGIJ-KGLIPLIRSA-N 279.339 3.966 30 20 CHED C#CCC(C)(C)c1nc([C@@H]2CCCc3ccccc32)no1 774807002 GDTOUTMPVFPFCJ-OAHLLOKOSA-N 280.371 3.839 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@H](CO)C1 775524331 FXYZJQCWKMADIP-IRXDYDNUSA-N 297.483 3.994 30 20 CHED C[C@H](C(=O)OCc1ccc(CC#N)cc1)C1CCCC1 776110382 PELULOUUNKPJCF-ZDUSSCGKSA-N 271.360 3.622 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)CCc2ccc(F)cc21 776193900 WJSRCVYZBZTPTK-GDNBJRDFSA-N 294.325 3.973 30 20 CHED N#C[C@H](OC(=O)c1cccc(Cl)c1)C1CCCCC1 776360878 FZMQZTRWYMDMAI-AWEZNQCLSA-N 277.751 3.969 30 20 CHED C[C@@H](Nc1ccc2c(c1)OCO2)c1ccc(C#N)c(F)c1 776768728 RMEPFKNNMMORRH-SNVBAGLBSA-N 284.290 3.599 30 20 CHED CC(C)Oc1cccc(C=NOCCC(F)(F)F)c1 777459665 KLOSMYJKUADRHB-UHFFFAOYSA-N 275.270 3.777 30 20 CHED FCc1ccc(CON=Cc2ccc(F)cc2)cc1 777538104 FASZALTZVJKUAE-UHFFFAOYSA-N 261.271 3.846 30 20 CHED Cc1cccc(CCCON=CC(=O)Nc2ccccc2)c1 778021357 ZQEVGDRFULPXAH-UHFFFAOYSA-N 296.370 3.569 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)c1cccs1 780036209 YSZFWGSLCPKAFS-UHFFFAOYSA-N 277.732 3.630 30 20 CHED C#CCCCCCC(=O)OCC(=O)c1cc(C)ccc1C 780259030 SUROIRBPLOKPPU-UHFFFAOYSA-N 286.371 3.613 30 20 CHED COc1ccc(NN=C2CC[C@@](C)(c3ccccc3)C2)nc1 780277451 XQFMCWZQGDBZQY-GOSISDBHSA-N 295.386 4.000 30 20 CHED CC(C)n1cc2c(n1)[C@H](Nc1ccc(C#N)cc1)CCC2 780766475 RIYFOLLOSFOTOT-MRXNPFEDSA-N 280.375 3.825 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccncc2)cc1F 782300593 GZBUAIXKRRTCQY-HYXAFXHYSA-N 271.291 3.516 30 20 CHED COc1ccc(CCNN=C2CC[C@H](C)C[C@@H]2C)cc1 783845130 GUOLLITUNWZWED-KBPBESRZSA-N 274.408 3.639 30 20 CHED N#Cc1cccc(C(=O)OCc2ccc(Cl)c(F)c2)c1 785648636 YEMNJMLDGWKHIV-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=CCCC(=O)COC(=O)C[C@@H](C)c1c[nH]c2ccccc12 787227345 ONAZVBABHSURAE-CYBMUJFWSA-N 299.370 3.740 30 20 CHED C[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(C)(C)C 787232744 ODGWJLOPWUHLDE-WBMJQRKESA-N 299.418 3.527 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 789832916 DVXHXTAUCKVXTR-SSDOTTSWSA-N 290.672 3.502 30 20 CHED CC[C@@H](C)NN=Cc1nc(-c2ccccc2)cs1 790183273 KXFYTPHROAAQQE-LLVKDONJSA-N 259.378 3.532 30 20 CHED CCC/C(C)=C/C(=O)[C@@H](C#N)c1cnc2ccccc2n1 792111636 XOIXJKHOFIUKQV-SRXBQZRASA-N 279.343 3.552 30 20 CHED CC(C)c1ccoc1C(=O)OCc1ccc(F)cc1C#N 792615709 NWXNXDLDDANSDT-UHFFFAOYSA-N 287.290 3.771 30 20 CHED CCCCCCCN1CCC(c2c[nH]nc2C)CC1 792923840 DSHOWCDQLRLOPA-UHFFFAOYSA-N 263.429 3.868 30 20 CHED COc1ccc(C=NN[C@H](C)C(C)(C)C)c(Cl)c1OC 793113284 CUTDRPOSYBHOFX-SNVBAGLBSA-N 298.814 3.715 30 20 CHED CCO[C@@H]1CC(=NNc2ncccc2F)C1(CC)CC 794989830 DOMBJNLERRMQLX-CYBMUJFWSA-N 279.359 3.604 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1cccc(F)n1 795007273 WYFPLIHDSLWNNK-UHFFFAOYSA-N 271.339 3.950 30 20 CHED C=C(Cl)CN[C@@H]1CCCCc2cc(C#N)ccc21 795800031 CVDJWPNMLIWNPY-OAHLLOKOSA-N 260.768 3.668 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC(CC)(CC)SC 798427257 RXSGQRHJAUGQBJ-GFCCVEGCSA-N 272.458 3.562 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H]1CCCC(F)(F)C1 799973375 MPTFOFQLOIKGIX-ZDUSSCGKSA-N 293.313 3.735 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)OCCCCC#N 801885836 SVWPQINHDZFXIM-JKSUJKDBSA-N 271.360 3.590 30 20 CHED CC#CCCCC(=O)OCc1ccc2occc2c1 802853842 BERSGOYXMFBSJA-UHFFFAOYSA-N 256.301 3.670 30 20 CHED C#C[C@H](NC(=O)C1CC(C)(C)C1)c1ccc(Cl)cc1F 804423501 QPJJHLSJCDLURK-AWEZNQCLSA-N 293.769 3.706 30 20 CHED C=CCCCCNC(=O)N1Cc2cccc(Cl)c2C1 805299894 DQDDIEHBDGKOBW-UHFFFAOYSA-N 278.783 3.722 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc2c(c1)CCO2 806177476 AXDRCNQGWFUFAR-ZDUSSCGKSA-N 272.392 3.602 30 20 CHED C=C(CNC(=O)NCCCCCC)c1ccccc1 806276740 SVCXDALJIHTUHH-UHFFFAOYSA-N 260.381 3.579 30 20 CHED C=CCCCCCCCN[C@H](C)c1cc(C)nn1C 810242587 FDNRMFUGNUIYMP-OAHLLOKOSA-N 263.429 3.906 30 20 CHED CC(C)(C)c1ccc(COC(=O)c2cccc(C#N)n2)cc1 810542838 UCECPKXATUGZCB-UHFFFAOYSA-N 294.354 3.608 30 20 CHED C=CCCCCOC(=O)c1cnc(-c2ccccc2)nc1C 811012813 YLRBAEKREBVHTE-UHFFFAOYSA-N 296.370 3.965 30 20 CHED C=C(C)COc1cc(C=NOC/C=C/Cl)ccc1OC 811670533 UWGSLYXAGPHDDW-ZFENKPHASA-N 295.766 3.753 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cn(C(C)(C)C)nn1 812231915 JVDLCCPKLOOTDX-UHFFFAOYSA-N 299.422 3.911 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc2ccccc2c1 812445394 XBMNXCBUMGZKFP-UHFFFAOYSA-N 290.322 3.984 30 20 CHED Oc1cccc(C=NNc2ccccc2Br)c1 812461302 OKSFEUPLCFONAS-UHFFFAOYSA-N 291.148 3.601 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc2c(c1)CCCO2 813257379 ABQQCVGOOVMICS-MRXNPFEDSA-N 260.333 3.519 30 20 CHED Cc1cccc2c1[C@@H](OC(=O)CCCCCC#N)CCO2 814035492 NZNQEJTUAGQLTN-HNNXBMFYSA-N 287.359 3.836 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1ccc(Cl)cc1 814767608 NCANCFYSLCIUAX-SECBINFHSA-N 273.710 3.729 30 20 CHED CC(Cn1cccn1)=NNc1ccc(C(C)(C)C)cc1 814900819 JEUIGYBPYDAISY-UHFFFAOYSA-N 270.380 3.669 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1conc1Cc1ccccc1 814916510 BGGOZPVDDVQFED-QGZVFWFLSA-N 297.402 3.768 30 20 CHED CCCCCCCCC(=O)N[C@H](C)c1ccnc(O)c1 818027972 VXLBJYFYHSTTEQ-CYBMUJFWSA-N 278.396 3.715 30 20 CHED C/C(=C/C(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 819631992 JZQXJABASZLGQU-YVNUBKRQSA-N 288.778 3.552 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 820585346 YHLUXPSGZHHVCS-CYBMUJFWSA-N 293.313 3.545 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)C#Cc1cccs1 825945051 IQNNWQVYQBFSOR-QGZVFWFLSA-N 295.407 3.636 30 20 CHED CCCCCCCCNC(=O)CC1CC(F)(F)C1 827323755 PUHNKEPMOUDQET-UHFFFAOYSA-N 261.356 3.899 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1nc(Br)cs1 834790650 UDNQYXQRQAVYPK-RKDXNWHRSA-N 289.242 3.911 30 20 CHED CC[C@@H](C)[C@H](C=NNc1nccc2sccc12)OC 834940729 CJVFKQMGQNQMLE-PWSUYJOCSA-N 277.393 3.755 30 20 CHED C#CCC[C@H](C)OC(=O)CCC(=O)c1cc(C)sc1C 839042386 KVBKDYKOGJLREW-NSHDSACASA-N 292.400 3.673 30 20 CHED C=CCC1(C(=O)Nc2ccc(OCOC)cc2)CCCC1 839347493 UWQDMIYTFQANFK-UHFFFAOYSA-N 289.375 3.744 30 20 CHED CCCCCCO[C@@H](C)C(=O)OCc1cccc(C#N)c1 840594883 GMQJMCUUCPUDDV-AWEZNQCLSA-N 289.375 3.587 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccc(OCC)cc1 840796347 KTWHCWPYAJEGIC-UHFFFAOYSA-N 278.421 3.584 30 20 CHED CC1CCC(=CC(=O)Oc2cccc(OCC#N)c2)CC1 841345585 JXSOJWNOJRCQFN-UHFFFAOYSA-N 285.343 3.631 30 20 CHED C[C@@H](O)CN(C)N=C1CCCCCCCCCCC1 841652310 KGRVBEWTKAOMBV-OAHLLOKOSA-N 268.445 3.960 30 20 CHED CCc1cccc(OCCOc2cccc(OCC#N)c2)c1 842108713 QULNPFAMEOIJBM-UHFFFAOYSA-N 297.354 3.609 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CCO[C@H](CC(C)C)C1 846751876 OZBLINILLOKEJU-HZPDHXFCSA-N 272.392 3.872 30 20 CHED COC(=O)/C=C\c1ccc(/C=C2\CCCC(C)(C)C2=O)o1 848640163 IKRQQKGGCJRJBP-UONSLQGUSA-N 288.343 3.628 30 20 CHED C#C[C@H](OC(=O)[C@](C)(F)CCCC)c1ccccc1 851035925 CKCHYWJHNNDAAA-GOEBONIOSA-N 262.324 3.823 30 20 CHED CC/C(=C/C(=O)N(C1CC1)[C@@H](C)C#N)c1ccc(C)cc1 855582608 LBVNDHOVNLWWJM-XFNCEPBJSA-N 282.387 3.692 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1cc(C#N)ccc1OCC 857581454 RIMSCJMLSSFWLM-INIZCTEOSA-N 292.354 3.814 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)OCCC(C)(C)C#N 859783911 JFJZBZCDSAFBAK-CQSZACIVSA-N 273.376 3.657 30 20 CHED C#C[C@H](Cc1ccccc1)OC(=O)C[C@H](C)c1ccco1 860619543 YBJNKBLLTFNDJR-GOEBONIOSA-N 282.339 3.561 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccc(F)c(Cl)c1 863178831 HJFDTMIRDHFGHH-CYBMUJFWSA-N 270.735 3.836 30 20 CHED CC(C)c1cccc(C(=O)/C=C\c2cn(C(C)C)nn2)c1 863195735 KJOXAPWTIDEIRS-HJWRWDBZSA-N 283.375 3.879 30 20 CHED C=CCCOc1ccccc1-c1cccc([C@H](O)CNC)c1 863720027 RKMCKOFJIGNEHQ-GOSISDBHSA-N 297.398 3.561 30 20 CHED CCN(CC)c1ccc(CNC[C@@H](C)CCC#N)cc1 876945434 YUIGRMCTHFNAPP-HNNXBMFYSA-N 273.424 3.562 30 20 CHED C=CCCC[C@@H](NCCc1nncn1CC)c1ccccc1 883203534 FOWCFQZWNRJVAP-QGZVFWFLSA-N 298.434 3.528 30 20 CHED C=CCN(C(=O)c1cnc(C(C)C)nc1C)c1ccccc1 887913619 WJHUWVRIJDXENQ-UHFFFAOYSA-N 295.386 3.741 30 20 CHED C=C1CCC(C(=O)OCCC[C@H]2CCCCC2=O)CC1 893067692 ITPGOMUQMOZNMO-CQSZACIVSA-N 278.392 3.816 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C/c2cn(CC)nn2)cc1 899387417 LPYZKEOOGCULTM-OCHBPSSRSA-N 283.375 3.708 30 20 CHED N#CC1(CCCC[S@](=O)Cc2ccsc2)CCC1 899431675 AMCNXRYLVUBZFM-SFHVURJKSA-N 281.446 3.861 30 20 CHED Cc1cc(C(=O)N(O)Cc2ccc(F)cc2)c(C)s1 901376399 UIVTWVYIMGIUFH-UHFFFAOYSA-N 279.336 3.536 30 20 CHED CC[C@H](N[C@@H](CC)[C@@H]1CCCO1)c1cccc(C#N)c1 902888354 SMFALUJZDKBQDY-ULQDDVLXSA-N 272.392 3.557 30 20 CHED C=CCCC[C@H](N)c1nc(C2(c3cccc(C)c3)CC2)no1 904722173 QUNXRJDXXAMLLD-HNNXBMFYSA-N 297.402 3.814 30 20 CHED Cc1sc(NC(=O)c2ccsc2C#N)nc1C(C)C 912293549 ZOOZRTRLNHFSHK-UHFFFAOYSA-N 291.401 3.760 30 20 CHED Cc1ccc(CC/N=C\c2cc3ccccc3nc2O)o1 915114074 BQTXAJBXPZSBST-WQRHYEAKSA-N 280.327 3.503 30 20 CHED CCCCCCCCOc1cccc(S(C)(=O)=O)c1 915668410 NPKIVUUNRCRBPT-UHFFFAOYSA-N 284.421 3.829 30 20 CHED Cc1nc(C=NNc2nccc3sccc23)cs1 915980250 RAXYBPLOJCNTRM-UHFFFAOYSA-N 274.374 3.507 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(N(C)C)cc1 916250368 XEVAXHNJGLXEOZ-UHFFFAOYSA-N 267.376 3.897 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2ccncc2)cc1 917552994 WDMPECDYBUSQHP-CQSZACIVSA-N 267.376 3.890 30 20 CHED CCC/C(C)=C/C(=O)N(Cc1ccc(C#N)cc1)C1CC1 920219304 QVVMRFLESSSVBM-SDNWHVSQSA-N 282.387 3.796 30 20 CHED CCC/C(C)=C\C(=O)OCc1cn2ccccc2c1C#N 920692902 MSGYARGDPXPOCA-LCYFTJDESA-N 282.343 3.601 30 20 CHED C=CCCO[C@H](C)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 921147450 QUQYASMMQMFDSF-OAGGEKHMSA-N 295.467 3.936 30 20 CHED CC(C)Oc1cccc(C=NNc2cccc([N+](=O)[O-])c2)c1 921251520 PVRYCHXEIXBZMP-UHFFFAOYSA-N 299.330 3.828 30 20 CHED Cc1nc2ccccc2n1CCCN[C@H](C)CC(C)(C)C#N 924552497 MTSCTZIUCYGMCI-CQSZACIVSA-N 298.434 3.653 30 20 CHED CON(CCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 932536278 CVSHTULRSTWVCH-LLVKDONJSA-N 286.297 3.934 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](c1nc(C)cs1)C1CC1 933509927 RWRKIYZWGPKYDG-SMDDNHRTSA-N 278.421 3.621 30 20 CHED CC[C@@H](C)N(CC)c1nnc(C(C#N)(CC)CC)n1CC 1121683271 KZUKQHHAEGVBGX-CYBMUJFWSA-N 291.443 3.504 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)cc1F 1125801197 IFJCQTRJHXGGBG-CZUORRHYSA-N 288.366 3.786 30 20 CHED Cc1ccc(CCC(=O)O[C@@H]2CCC[C@H](C#N)C2)c(C)c1 1129608494 FLXTZYGBTPJMKG-DOTOQJQBSA-N 285.387 3.862 30 20 CHED C[C@H]1CCC[C@@H](CNc2c(C#N)cccc2C#N)C1 1185027487 BVRQDEHLSQALCY-QWHCGFSZSA-N 253.349 3.668 30 20 CHED CCc1nc(C#N)cc(NC[C@@H](c2ccccc2)C2CC2)n1 1186572608 ZLUXEEGTBLSKJN-INIZCTEOSA-N 292.386 3.516 30 20 CHED CCCOc1ccc(CN(C[C@@H](C)C#N)C2CC2)c(C)c1 1204674629 VNVDJIYIOUYVAT-AWEZNQCLSA-N 286.419 3.908 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(-c2ccccc2)o1 1262813360 VYFZMFWAVVSMRN-AWEZNQCLSA-N 282.343 3.711 30 20 CHED CCn1c(CCCC#N)nnc1N(C)c1cc(C)cc(C)c1 1263041903 SYRHVLMIGBNEEK-UHFFFAOYSA-N 297.406 3.529 30 20 CHED COc1cc(/C=C\C(=O)C2CCCCC2)ccc1F 1319571808 KJEUOXRYTJRANN-NTMALXAHSA-N 262.324 3.997 30 20 CHED C=C[C@H](C)NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1322695385 QXCIZRHDWNXPOJ-VIFPVBQESA-N 286.202 3.962 30 20 CHED Cc1ccc(F)c(-c2nnc(-c3ccc(C#N)cc3)o2)c1 1322892217 ICQHIMAQZAHGOQ-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CCC(=NNCC1CCOCC1)c1c(F)cccc1Cl 1324028400 ZRLSWWAUMMNZTD-UHFFFAOYSA-N 298.789 3.609 30 20 CHED CCCC(=NNCc1ccc(F)cc1)c1ccccn1 1324201364 DYTPCELVYKPXEJ-UHFFFAOYSA-N 271.339 3.515 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1csc(C#N)c1 1324412555 LJXGPKNOJRFPPH-MLGOLLRUSA-N 296.395 3.638 30 20 CHED C=CC[C@H](CC)NCc1sc(N2CCCCC2)nc1C 1325129029 PPNLDXCVBUHORW-AWEZNQCLSA-N 293.480 3.886 30 20 CHED C[C@H](CCC#N)CNCCc1ccc(OC(C)(C)C)cc1 1331724177 CAYZEQWMXVARHG-OAHLLOKOSA-N 288.435 3.936 30 20 CHED CC[C@H](C)CC(=O)N(c1ccccc1C#N)C1CCC1 1331918668 TYVYAYPQFWQGGG-ZDUSSCGKSA-N 270.376 3.880 30 20 CHED C[C@H](C(=O)N(c1ccccc1C#N)C1CCC1)C(F)(F)F 1334261400 LAEOUFKLMCJCJH-SNVBAGLBSA-N 296.292 3.642 30 20 CHED Cc1cc([C@H](C)NC(=O)CC2(C#N)CCCCC2)c(C)o1 1334814112 AZSAWNDQGIPNMN-ZDUSSCGKSA-N 288.391 3.938 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)C2(C3CCCCC3)CC2)C1 1342998262 CIBAJIMAONZNEG-GXTWGEPZSA-N 261.365 3.582 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2cccc(F)n2)c(C(C)C)n1 1344048237 BGMMCWYEQQCTLN-CYBMUJFWSA-N 297.333 3.538 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccccc1CC#N 1344360749 FAAKZLXIAANIOH-MAUKXSAKSA-N 298.430 3.628 30 20 CHED Cc1cccc2oc(C(=O)O[C@H]3CC[C@@H](C#N)C3)cc12 1344490041 RAQZNDFHKMXHIG-NEPJUHHUSA-N 269.300 3.590 30 20 CHED Cc1oc(C)c(-c2nnc(-c3cccc(C#N)c3)o2)c1C 1345952900 VGAYLKFNEHXXFJ-UHFFFAOYSA-N 279.299 3.794 30 20 CHED CCCOc1ccccc1NC(=O)c1csc(C#N)c1 1349072596 WSYJXZYZMVDGKV-UHFFFAOYSA-N 286.356 3.661 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(C)C1CCCCC1 1359149306 VMVLULNCOCQCLZ-UHFFFAOYSA-N 294.830 3.677 30 20 CHED C[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)C1CCCCCC1 1469736657 BJVLUYMEVUYGJF-PBHICJAKSA-N 291.439 3.681 30 20 CHED CC(C)c1ccc(C(=O)Nc2cc(F)cc(C#N)c2)c(O)c1 1471132188 GFYCEWDHROUMKP-UHFFFAOYSA-N 298.317 3.779 30 20 CHED C[C@H](NCc1ccc(C#N)s1)[C@@H]1CCC[C@@H](C)C1 1473553626 MCWMDVBHKFPLOF-FRRDWIJNSA-N 262.422 3.924 30 20 CHED C=C(Cn1c(C)nnc1N1CC[C@H](C)[C@H]1C)c1ccccc1 1507856163 XHLKOYIVSQJEPZ-DZGCQCFKSA-N 296.418 3.535 30 20 CHED C=C(CC(C)C)C(=O)N1CCC(c2ccc(F)cn2)CC1 1521744034 XTFDAFLFMPJVFA-UHFFFAOYSA-N 290.382 3.529 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@@H]2CCCc3ccccc32)c1 1525018759 FBJDIBUIVWXLMD-OAHLLOKOSA-N 294.329 3.756 30 20 CHED C[C@@H](CC(=O)O[C@H](C)CC#Cc1cccnc1)c1ccco1 1525833014 JBKXHLVYWHRIIR-LSDHHAIUSA-N 297.354 3.542 30 20 CHED N#CCOc1ccccc1C(=O)Nc1ccc2occc2c1 1544469722 FMLGNRACGRWFPR-UHFFFAOYSA-N 292.294 3.587 30 20 CHED C[C@H](CCC1CCCCC1)N=c1cc[nH]c(C#N)c1 1559105719 ZKKKJGMORQLXKV-CYBMUJFWSA-N 257.381 3.536 30 20 CHED CC[C@@H]1C[C@H]1COc1c(C#N)cnc2ccc(OC)cc12 1559433097 LAUVTGJMIZMMPB-NEPJUHHUSA-N 282.343 3.540 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cc(C)c(F)c(C)c2)n1 1587096700 UFOMMHGMGVZZTI-UHFFFAOYSA-N 297.333 3.578 30 20 CHED C[C@H](Sc1ccc(C(=O)O)nc1C#N)c1cccs1 1604452648 QYSDWKRCEDYHGS-QMMMGPOBSA-N 290.369 3.566 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](C(=O)O)[C@@H]1C 1605267628 ZHDHHZMAJBNRKB-LSDHHAIUSA-N 297.439 3.839 30 20 CHED O=C(O)c1cc(/C=C\C(=O)c2cc3ccccc3s2)c[nH]1 1608841400 PEOBDXSCKBJMQU-WAYWQWQTSA-N 297.335 3.824 30 20 CHED C[C@@H](NCc1cc(C#N)ccn1)c1ccc(F)cc1Cl 1643213054 PLUVZFXQBXNSCE-SNVBAGLBSA-N 289.741 3.597 30 20 CHED COc1cccc(CSc2cc(C)ncc2C#N)c1 1650685644 IWVZOXOXVNFRHQ-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)OC1CCCCC1 1660110395 IQGRSDJMFXLAHM-UHFFFAOYSA-N 266.385 3.717 30 20 CHED CC(C)=CCC/C(C)=C/C=NNc1ccc(C(=O)O)nc1 1776069125 REIXLOKLMIKZSF-PJSBQUSISA-N 287.363 3.870 30 20 CHED C=CCC[C@H]1CCCN1Cc1ccc(C(=O)O)c(Cl)c1 1776170862 WQGSQGVSULYPMO-ZDUSSCGKSA-N 293.794 3.969 30 20 CHED CC(C)[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 7924679 FIFZGROGDKVDKA-QGZVFWFLSA-N 296.345 3.824 30 20 CHED C=CCNC(=O)c1sc2cc(F)ccc2c1Cl 7949262 JBRLUIMGNDQABH-UHFFFAOYSA-N 269.728 3.610 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1C 178562286 ZLMJJQXMDUYGAX-MLGOLLRUSA-N 285.391 3.909 30 20 CHED CN(Cc1cccc(Cl)c1)c1ccc(Cl)c(C#N)n1 111218841 YHOVCVMMHYDPHR-UHFFFAOYSA-N 292.169 3.896 30 20 CHED CCCCc1ccc(NC(=O)NCCCCC#N)cc1 170903033 AABMGMDGJATAHA-UHFFFAOYSA-N 273.380 3.845 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 57989461 DTPJEWXPALLLGK-CJNGLKHVSA-N 299.370 3.711 30 20 CHED N#Cc1ccc(CNc2cccc(Cl)c2)c(F)c1 20050998 MGOXYSDMVGXIGE-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCCCS[C@H](C)C(=O)NC(C#N)(CCC)CCC 106421501 YKDTZRKGCUIVND-CYBMUJFWSA-N 284.469 3.887 30 20 CHED C=CC[C@H](C)NC(=O)NCCc1csc2ccccc12 172077938 BVJHWEXALNIMJG-LBPRGKRZSA-N 288.416 3.708 30 20 CHED CC[C@@](C)(C#N)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 103078719 KVPHVQHIVBKFEK-JSGCOSHPSA-N 298.308 3.531 30 20 CHED CC(C)N(CCC(=O)Nc1ccccc1C#N)C1CCCC1 108364539 ORTXYJZTTIYUEU-UHFFFAOYSA-N 299.418 3.540 30 20 CHED C=CCCCOC(=O)c1cnc(-c2ccco2)s1 172235975 RWRIVEOGKYVFJE-UHFFFAOYSA-N 263.318 3.526 30 20 CHED CCC[C@H](C#N)NC(=O)CCCCCc1cccs1 67272310 ZZUZRAXAQJKJMM-CYBMUJFWSA-N 278.421 3.659 30 20 CHED Cc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1F 67427847 SGFNJBMGKFZBCL-UHFFFAOYSA-N 266.271 3.597 30 20 CHED Cc1cc(C)c(CNCc2ccc(C#N)c(F)c2)cc1C 404760030 NDLOSALQFITVND-UHFFFAOYSA-N 282.362 3.912 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1CCc2ccccc21 115368912 UXEOFAWZOPTGFO-QGZVFWFLSA-N 298.430 3.895 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(c2cccc(F)c2C#N)C1 302121580 GIVGTJKNBACACM-SJKOYZFVSA-N 281.334 3.680 30 20 CHED C[C@H](CC#N)N(C)CCCc1ccccc1Cl 182003260 BXGDWYLHOJUUOC-GFCCVEGCSA-N 250.773 3.507 30 20 CHED N#Cc1cc2c(nc1NCCC[C@H]1CCCCO1)CCCC2 302214341 IJUVMNMKPBGAKT-MRXNPFEDSA-N 299.418 3.593 30 20 CHED C=CCCN(C)Cc1coc(-c2ccc(C)cc2)n1 467287536 BWQJZVPNFJVRPD-UHFFFAOYSA-N 256.349 3.658 30 20 CHED CCOc1ccc(C#N)cc1NCc1cccc(COC)c1 179030783 OIRCXTDWVINYPS-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C[C@H](Nc1nnc(C(F)F)s1)c1ccc(C#N)cc1 311490187 JLKIQQODXWKQIH-ZETCQYMHSA-N 280.303 3.520 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1ccccn1 414291686 BMTNRJRWLWOTFH-DOTOQJQBSA-N 266.388 3.920 30 20 CHED C=CCN(CC=C)C(=O)CNc1ccc(Cl)c(Cl)c1 66209709 DDYUJAWVOWVJLP-UHFFFAOYSA-N 299.201 3.606 30 20 CHED C=CC[C@@H](C)NC(=O)N(CC)Cc1ccc(Cl)s1 116974171 ZZFGERCLJGHRHZ-SNVBAGLBSA-N 286.828 3.898 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1cccc(F)c1 177599214 KSUQQURQZZJIRX-GFCCVEGCSA-N 279.380 3.507 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2ccccc2C#N)c1 130257702 ULISCNXSNHGGHY-CYBMUJFWSA-N 264.328 3.609 30 20 CHED C[C@@H](Nc1cccc2c1OCCO2)c1cccc(C#N)c1 179998144 UENVTXGJXOQAGS-GFCCVEGCSA-N 280.327 3.503 30 20 CHED C=CCN(Cc1cnn(C(C)C)c1)Cc1cccs1 179719413 ANDVPCBLGFYAJY-UHFFFAOYSA-N 275.421 3.714 30 20 CHED CC(C)(CC#N)CNc1nccc(Oc2ccccc2)n1 413411643 RJBCXKXQDHKCNF-UHFFFAOYSA-N 282.347 3.621 30 20 CHED CC(C)(C#N)c1ccccc1CSCCn1cccn1 178379685 HFARRSMRQGVFHV-UHFFFAOYSA-N 285.416 3.618 30 20 CHED CCN(CC#N)C(=O)Cc1coc2ccc3ccccc3c12 68231390 LRIGHTCWUQRWOR-UHFFFAOYSA-N 292.338 3.501 30 20 CHED CC(C)C[C@H](Nc1ccc(C#N)nn1)c1ccccc1 301944118 WLXIJYCNFZOPQT-HNNXBMFYSA-N 266.348 3.548 30 20 CHED CC[C@@H](CC#N)OC(=O)Cc1coc2cc3c(cc12)CCC3 188082400 JCAGVKRNBZZLBL-HNNXBMFYSA-N 297.354 3.699 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2ncccc2C#N)c1 301418180 BFPXZQQDOGHRNO-CQSZACIVSA-N 265.360 3.613 30 20 CHED N#Cc1ccc(N2CCO[C@H](c3ccccc3)C2)cc1Cl 75633311 TYTFJGMYUVDMKB-KRWDZBQOSA-N 298.773 3.790 30 20 CHED N#Cc1ccnc(SCc2cc(-c3ccccc3)no2)c1 77908028 ZZGKTQLYFJOVQU-UHFFFAOYSA-N 293.351 3.901 30 20 CHED CC(C)OCCCSc1nc2c(cc1C#N)CCCC2 126307109 MOAIWRDWXMUHDB-UHFFFAOYSA-N 290.432 3.739 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)ccc1F 182763475 XMFTXVYOEADIHY-JTQLQIEISA-N 268.307 3.831 30 20 CHED Cc1cccc([C@H]2CCCCN2C(=O)NC[C@H](C)C#N)c1C 182853199 MPPDQHFHUJEPQH-CXAGYDPISA-N 299.418 3.700 30 20 CHED C[C@H](Nc1nc2ccccc2n1C)c1ccc(C#N)cc1 79044646 PUFVPYGMUDXNOM-LBPRGKRZSA-N 276.343 3.618 30 20 CHED C=CCN(Cc1cncc(C)c1)Cc1ccccc1F 189803410 BZBKZKTZRBFLNQ-UHFFFAOYSA-N 270.351 3.717 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(O)c(Cl)c1 188967693 FHICQRVQEYWXDT-CYBMUJFWSA-N 253.729 3.586 30 20 CHED C=CCC[C@@H](NCc1ccnc(N2CCCC2)c1)C1CC1 120060344 KYUGYTLDHNJZSB-QGZVFWFLSA-N 285.435 3.516 30 20 CHED C[C@@H](c1ccccn1)N(C)Cc1ccc(C#N)cc1Cl 439433307 AVRSVLLLMYRVSQ-LBPRGKRZSA-N 285.778 3.800 30 20 CHED C=C(C)[C@H](NCCCCF)c1ccc(F)c(F)c1 509133951 CGYOJETWEGBBDN-AWEZNQCLSA-N 257.299 3.921 30 20 CHED CC(C)(CC#N)CN[C@H](c1ccccc1)c1ccccn1 414167705 POGLMEVMHPXHQT-QGZVFWFLSA-N 279.387 3.700 30 20 CHED N#Cc1ccc(CSCCOCC(F)(F)F)c(F)c1 184653636 MIDPGZYGIGHWKI-UHFFFAOYSA-N 293.285 3.509 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1 122886101 MNXZGNCHIYFRGF-CQSZACIVSA-N 250.345 3.751 30 20 CHED C=CCOCCOc1ccc(-c2c(C)noc2C)cc1 418964802 QZJFKKNMDKZCRZ-UHFFFAOYSA-N 273.332 3.540 30 20 CHED C#C[C@H](NC(=O)c1c(Cl)cccc1Cl)C(C)(C)C 491739930 QINXMSGNPFYAGN-NSHDSACASA-N 284.186 3.771 30 20 CHED C=CC[C@@H](C(=O)NCc1ccccc1)c1ccccc1 189365346 KIGGLYQWCBPUMG-QGZVFWFLSA-N 265.356 3.663 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2nc(C)ccc2c1 124353530 NAPLMWSDANMFLZ-UHFFFAOYSA-N 268.360 3.581 30 20 CHED CCOC(=O)[C@@H](CC)S[C@H](C)c1cccc(C#N)c1 189854119 XUUHXOJXEBFDOY-BXUZGUMPSA-N 277.389 3.694 30 20 CHED C[C@H](CC1CCCCC1)C(=O)NCc1ccc(C#N)cc1 74435483 HEKBONGGBOKJIO-CQSZACIVSA-N 284.403 3.781 30 20 CHED CC(C)c1ccc(CCC(=O)N(C)[C@@H](C)CC#N)cc1 78420911 PHKKUKYXIBQPIU-AWEZNQCLSA-N 272.392 3.503 30 20 CHED C=CCC[C@@H](CC)NCc1ccc(C(C)(C)O)cc1 186623417 PDHDQCNRHLMWQQ-MRXNPFEDSA-N 261.409 3.748 30 20 CHED CN(Cc1ccco1)Cc1ccccc1C(C)(C)C#N 135101800 JRQLJQDKVREUIY-UHFFFAOYSA-N 268.360 3.713 30 20 CHED CC(C)(C)c1ccncc1CNc1ccc(C#N)cc1 413522344 WEULMZPNPPRIEA-UHFFFAOYSA-N 265.360 3.863 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)c2cccc(C#N)c2C)C1 509948697 KUNNUFNPJMLPSB-DZGCQCFKSA-N 270.376 3.565 30 20 CHED C[C@@H](CC(F)F)C(=O)Nc1ccc(CC#N)cc1Cl 413833438 IWJCJLJYJOFCGZ-QMMMGPOBSA-N 286.709 3.636 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)[C@H]2C[C@@H]2C(F)F)s1 411005421 FSHAYYJQTKHRTC-IUCAKERBSA-N 298.358 3.757 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)N(CC#N)C1CCCC1 505834014 WGTMKTIZFJTKLZ-AWEZNQCLSA-N 276.424 3.888 30 20 CHED C[C@H](C#N)CN[C@@H](CCc1ccccc1)Cc1ccccc1 133036899 KJEJPNDMEWWGBQ-XLIONFOSSA-N 292.426 3.980 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2OC)CC1 328333768 JGNHPLCMCADDOB-MQMHXKEQSA-N 286.375 3.722 30 20 CHED N#Cc1ccc(NCCCc2nc3ccccc3[nH]2)c(F)c1 80970292 ZPYDDKPFRJNMPN-UHFFFAOYSA-N 294.333 3.618 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCSc2ccccc21 135469106 ZICSDHLZBXTMEL-BBRMVZONSA-N 275.417 3.942 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(C)c1ccccc1C#N 410571936 DHXOHPMSAYTNBO-UKRRQHHQSA-N 270.376 3.737 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 417333509 QHQGWVVXSSYGTH-JGFGOLAASA-N 291.460 3.811 30 20 CHED CC(C)(C)c1cnc(CC/C(O)=N/[C@@H]2CCC[C@H]2C#N)o1 328745896 OLZDDARSVMSZOD-NWDGAFQWSA-N 289.379 3.553 30 20 CHED C=CCCNCc1cc(Br)c(Cl)s1 227852577 KKNYQMCDDLZMAR-UHFFFAOYSA-N 280.618 3.830 30 20 CHED C[C@H](N[C@H](C1CCC1)C1CC1)c1ccc(OCC#N)cc1 324927648 MTXRJKRCSYUJSM-SCLBCKFNSA-N 284.403 3.818 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](C)[C@H](C)c1ccccc1 509344398 MZMXOULBPRYHRG-DZGCQCFKSA-N 292.382 3.789 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OCCC)cc1C 193575599 WZLSYMYVUMDDGX-UHFFFAOYSA-N 288.391 3.990 30 20 CHED C=C[C@@H](CC(=O)NCc1cccc(F)c1)c1ccccc1 130235717 HKMFQXCMJXUOLP-HNNXBMFYSA-N 283.346 3.802 30 20 CHED N#CCCCCN1CCC(c2ccc(F)cc2)CC1 83423588 HIPYKHRSBCOYMK-UHFFFAOYSA-N 260.356 3.699 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329679118 QRUBTKHWCQULDB-MELADBBJSA-N 273.380 3.980 30 20 CHED C=C(Cl)CSc1nc2ccccc2n1CC 48393301 JBKWGRHNHLPZJT-UHFFFAOYSA-N 252.770 3.901 30 20 CHED N#Cc1cccc(-c2nc([C@H]3CCc4ccccc43)no2)c1 320126820 SDKPIWWIDWZYEB-INIZCTEOSA-N 287.322 3.686 30 20 CHED OC(C[C@@H]1CCCCO1)=Nc1cnc2c(c1)CCCC2 329421681 DWEOUMMJYRCALL-AWEZNQCLSA-N 274.364 3.508 30 20 CHED C=CCCOCCN[C@H](C)c1cc2ccc(C)cc2o1 426062041 WHHGFJMASJVKEB-CQSZACIVSA-N 273.376 3.985 30 20 CHED Cc1nc(NC(=O)CC2CCCC2)sc1SCC#N 48598275 RNUHPVUTUVTVDP-UHFFFAOYSA-N 295.433 3.586 30 20 CHED Cc1cc(C)c2oc(NC(=O)c3cc(C#N)cs3)nc2c1 85764835 QQLNMIAWOGEXOQ-UHFFFAOYSA-N 297.339 3.630 30 20 CHED C[C@H](Sc1ccc(C#N)cc1)c1nc(C2CC2)no1 48603337 DQOVTVINTUOUPX-VIFPVBQESA-N 271.345 3.672 30 20 CHED N#C[C@@H](NC(=O)c1cc2ccccc2o1)C1CCCCC1 40360062 CHIULDQEAGBLBS-CQSZACIVSA-N 282.343 3.635 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@]12CCC[C@H]1C2 421544618 ZECMXNROBAHCFU-FUHWJXTLSA-N 269.388 3.782 30 20 CHED Cc1ccc2cccc(NC(=O)c3cc(C#N)cs3)c2n1 84095202 QSQMENGBONLRLU-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@@H](O)CCCSc1ccc(C#N)c(C(F)(F)F)c1 427798693 OPONVFPNMKSVKP-SECBINFHSA-N 289.322 3.830 30 20 CHED C=CCC1(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)CCC1 192481550 JTAFSLHMTBDQIQ-UHFFFAOYSA-N 299.374 3.971 30 20 CHED C=C(C)CCc1noc([C@H]2CCc3ccccc3O2)n1 420505839 QOJMOAKZWIJEIV-CQSZACIVSA-N 270.332 3.645 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C(C)C)cc1 131542722 SOMDYSRDURDEHZ-DOMZBBRYSA-N 286.375 3.503 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)s1 83853956 MXUIWIMTALVYBI-VIFPVBQESA-N 254.786 3.746 30 20 CHED C=CCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F 519325731 BLJLSQCBQNCWDX-UHFFFAOYSA-N 269.319 3.717 30 20 CHED COc1ccc2cc([C@H](C)C(=O)OC(C)(C)C#N)ccc2c1 194478784 OVHWHCCKZAYAJU-LBPRGKRZSA-N 297.354 3.797 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCC(C)(C)C 425137381 XPCKBELTNWWEHP-ZDUSSCGKSA-N 272.392 3.904 30 20 CHED CCc1ccc(CC)c(N/C(O)=N/[C@@H]2CCC[C@H]2C#N)c1 330893227 LBRZMHNJVQGLHV-LSDHHAIUSA-N 285.391 3.830 30 20 CHED C[C@@H](Nc1ccn(CCC#N)n1)c1ccc(F)c(Cl)c1 86154683 CRCJFTAYVZQKSP-SNVBAGLBSA-N 292.745 3.762 30 20 CHED N#Cc1ccc(Oc2ncnc3[nH]ccc23)c2ccccc12 338828063 LOOUBYYWBSGQNG-UHFFFAOYSA-N 286.294 3.775 30 20 CHED CC1(NC(=O)[C@H](C#N)CCc2ccccc2)CCCCC1 330435071 ADRJTTHCWUIMKD-INIZCTEOSA-N 284.403 3.598 30 20 CHED Cc1nnc(SC/C=C/c2ccccc2)c(C#N)c1C 193049842 IIYYVPRSLCZWMA-RMKNXTFCSA-N 281.384 3.771 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 149051960 XRIZLRZWWTVHJW-BJMVGYQFSA-N 298.338 3.781 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(Cl)c(Cl)c1 339170926 JLSFXOIWKBZDES-JTQLQIEISA-N 285.174 3.758 30 20 CHED CC(F)(F)CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 428796705 MTUHTLAZIJWDBH-ZDUSSCGKSA-N 294.345 3.710 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(CSC)cc1 337089657 IQZBHQLQMQKNHC-AWEZNQCLSA-N 263.406 3.634 30 20 CHED C#CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 192144501 PZYCOVCTJDDYGP-FUHWJXTLSA-N 283.415 3.832 30 20 CHED C[C@H](CCC#N)Sc1ccc([N+](=O)[O-])cc1F 193511647 QFHCGOIPTXXRJO-MRVPVSSYSA-N 254.286 3.518 30 20 CHED N#Cc1ccc2c(c1)N(Cc1cccc3cccnc13)CC2 339829135 YGOKNHSWDSMNKG-UHFFFAOYSA-N 285.350 3.669 30 20 CHED CCC[C@@H]1CCCCN1/C(O)=N/CCc1cccc(C#N)c1 330999165 ZKEUKRDLPQSMJB-QGZVFWFLSA-N 299.418 3.669 30 20 CHED C[C@H](CNc1c(C#N)cnc2ccccc12)c1nccs1 230608330 CKLFPMSQBGDTJC-LLVKDONJSA-N 294.383 3.779 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC[C@H](C(C)(C)C)CC1 331897866 DYONEUDSGNEOLO-AWEZNQCLSA-N 293.455 3.784 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1CCSc2ccccc21 336446174 FULJLQBQXUESFH-CQSZACIVSA-N 294.379 3.776 30 20 CHED Cc1cc(C(O)=Nc2cnn(C(F)F)c2)c(C)n1C(C)C 330768161 MCQSITLCJSJWCK-UHFFFAOYSA-N 296.321 3.914 30 20 CHED N#Cc1nn(CC#Cc2ccc(Cl)cc2)c2ccccc12 432482411 GLGBZKBOOSZZAP-UHFFFAOYSA-N 291.741 3.613 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cnc(C)s1 98133568 BFEDJKDQGRDAPL-UHFFFAOYSA-N 288.416 3.648 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 334167519 AUQVJWUZSKABDB-MRXNPFEDSA-N 291.354 3.580 30 20 CHED C=CCN(CC=C)C(=O)CS[C@H](C)c1cccc(C)c1 437438778 LUTOJZRLIWFPJD-OAHLLOKOSA-N 289.444 3.990 30 20 CHED COc1ccccc1[C@H]1CCCN1c1cc(C)nc(C#N)c1 342069769 XYHNBVWEKBHDFR-QGZVFWFLSA-N 293.370 3.612 30 20 CHED C[C@H]1CCCCN1CCCCN[C@H](C)c1cccc(C#N)c1 245842642 DWPYRIXZAYGNAV-DLBZAZTESA-N 299.462 3.863 30 20 CHED C=C(CNC(=O)c1cc(F)c(F)cc1F)c1ccccc1 345785303 RZSUNZQKOHCBSX-UHFFFAOYSA-N 291.272 3.547 30 20 CHED C=CCCN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 349376988 WEAQGSXWTCSETE-HNNXBMFYSA-N 288.439 3.608 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@@H]1CCCC 524118789 KNGAVAFOEVTITC-LSDHHAIUSA-N 266.429 3.953 30 20 CHED C[C@@H](CCC1CC1)NC(=O)N[C@H](CCC#N)c1ccccc1 345956794 WDKNAYSKMZYDME-WMLDXEAASA-N 299.418 3.909 30 20 CHED C[C@@H]1CCCC[C@H]1CN(CCC#N)Cc1ccco1 346210409 OGZGASBQCQFOAP-CABCVRRESA-N 260.381 3.822 30 20 CHED N#CC[C@H](Cc1nc([C@H]2CCCS2)no1)c1ccccc1 346952963 BDOZBKCEGWUQAN-ZIAGYGMSSA-N 299.399 3.878 30 20 CHED CC1(C)CCCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)[C@H]1C#N 341643232 KHTZSTKZWKVTFH-ULQDDVLXSA-N 296.414 3.721 30 20 CHED C[C@H](C#N)CN[C@@H](C)COc1ccc(Cl)c(Cl)c1 520724369 CKRRUBRHJZLISD-ZJUUUORDSA-N 287.190 3.510 30 20 CHED Cc1ccc(C#N)cc1NCc1nc2ccccc2o1 604496312 AFQCQIRTTVQTDW-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CC[C@H]1CCCN(Cc2cn3ccccc3c2C#N)CC1 609766814 SZGPBPHSDJAPTI-HNNXBMFYSA-N 281.403 3.823 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(OC)cc1 432106632 IROINIVZFGTJHY-ZDUSSCGKSA-N 290.407 3.658 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(F)c(Cl)c1 435740707 FWJZDFCCEVOICS-SWLSCSKDSA-N 283.774 3.550 30 20 CHED CN(C(=O)CC(C1CCC1)C1CCC1)c1ccc(C#N)nc1 602350271 GFBJLBWUWMRJTF-UHFFFAOYSA-N 297.402 3.523 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(F)c(C#N)c1 51637578 FUQOGFOYQNODNF-NSHDSACASA-N 262.328 3.852 30 20 CHED CC(C)(CCC#N)CN[C@H](c1cncc(F)c1)C1CC1 348212528 GKKPASNFGDNRKF-HNNXBMFYSA-N 275.371 3.591 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)[C@H](C)CC 606921210 ZBJDTXFNWALKJT-KGLIPLIRSA-N 254.418 3.809 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2cccc(C#N)c2C)c1 432345933 JAGCYWBZRHSMQC-CQSZACIVSA-N 278.355 3.917 30 20 CHED COc1ccc2c(c1)[C@H](Nc1ccc(F)cc1C#N)CCO2 341628780 FUDURILZXSLBRF-MRXNPFEDSA-N 298.317 3.642 30 20 CHED Cc1c([C@H](C)NCC(C)(C)CCC#N)cccc1[N+](=O)[O-] 348205547 JTTIWIMNIRGKPM-ZDUSSCGKSA-N 289.379 3.884 30 20 CHED CCN(C[C@H](C)CCC#N)[C@H](C)c1cccc(O)c1 602446688 HSLJRCNZZXOQCZ-ZIAGYGMSSA-N 260.381 3.715 30 20 CHED C=CCCC(=O)Nc1ccnc(-c2ccccc2)c1 346862139 BHCFZIGDEGVLGF-UHFFFAOYSA-N 252.317 3.653 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccc(F)c(F)c1 255486295 OARGBBFNWZRHSW-RJRFIUFISA-N 296.219 3.845 30 20 CHED Cc1csc([C@H](C#N)C(=O)/C=C\C2CCCCC2)n1 254955492 MTYCSUMKGLMSFU-MEJMFZKBSA-N 274.389 3.764 30 20 CHED CCc1nc2c(s1)[C@H](N(C)CC1(CC#N)CC1)CCC2 602798941 YXNNWNMDDPNLIF-CYBMUJFWSA-N 289.448 3.709 30 20 CHED C=CCCOCC(=O)N1CCC[C@@H]1c1cccc(C)c1C 607659096 HBDPOULKRFOWKJ-QGZVFWFLSA-N 287.403 3.560 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 355326705 WYEUYIGIJAIXMP-KRWDZBQOSA-N 284.359 3.548 30 20 CHED C=CC[C@@H](C)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 447581234 SLEQMSHLXFFRQX-YPMHNXCESA-N 291.391 3.696 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C[C@H](C)CCC#N 602476473 OMTKQDSEMKMVHS-HLLBOEOZSA-N 256.393 3.804 30 20 CHED Cc1cc(CCNc2cnccc2C#N)ccc1Cl 359954658 PGGDAVFNAQHXNZ-UHFFFAOYSA-N 271.751 3.570 30 20 CHED N#CCn1cc(-c2cccc(OC3CCCCC3)c2)cn1 600778781 HSVLKPHLBJYJEI-UHFFFAOYSA-N 281.359 3.785 30 20 CHED C=C1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 604865985 RORYPCPTLNDGKT-RDJZCZTQSA-N 271.404 3.995 30 20 CHED N#Cc1ccc(N[C@H]2CSc3ccccc32)cc1[N+](=O)[O-] 357494399 XKUQYWJZJYAVBL-ZDUSSCGKSA-N 297.339 3.725 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)c1cccc2ccccc12 448582917 QCYYVEYEZQNJJX-ZJNRKIDTSA-N 278.355 3.567 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](COC)c1ccc(CC)o1 532235919 NDLLIYKQQMUZGA-GUTXKFCHSA-N 265.397 3.720 30 20 CHED C=C[C@H](C)NC(=O)c1c(-c2ccccc2)oc(C)c1C 444237646 NJPVZCGDBUEPRH-NSHDSACASA-N 269.344 3.868 30 20 CHED C[C@H](CCC#N)CN[C@H](c1ccccc1)c1nccs1 602535701 XWTPDNQZBSKQMK-UKRRQHHQSA-N 285.416 3.762 30 20 CHED C=CC[C@H](C)N[C@H](Cc1ccncc1)c1ccc(OC)cc1 353627163 ZAHDVRQQDYUJNQ-HNAYVOBHSA-N 296.414 3.928 30 20 CHED Cc1nc(Sc2ccc(Cl)c(C#N)n2)sc1C 530908535 PXIRCDLFYXKECY-UHFFFAOYSA-N 281.793 3.831 30 20 CHED C=CCC[C@@H](O)CN1CC=C(c2cc(C)cc(C)c2)CC1 538788496 KDMMLQAIPCMAHO-LJQANCHMSA-N 285.431 3.720 30 20 CHED Cc1ccc(Oc2ccccc2)c(NC(=O)[C@H](C)C#N)c1 440612722 NSSGVGGHPZYIII-CYBMUJFWSA-N 280.327 3.886 30 20 CHED CC(C)CN1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 539506809 DWCYLDAGECJZMA-QFBILLFUSA-N 299.462 3.719 30 20 CHED C=CC[C@@H]1N(Cc2ccc(CO)cc2)CCCC1(C)C 444793217 RNFVDCKSJSYKSA-KRWDZBQOSA-N 273.420 3.746 30 20 CHED C=CCN(C(=O)N[C@H](C)C(C)(C)c1ccccc1)C1CC1 539010956 QSQVQRSYPSYHAF-CQSZACIVSA-N 286.419 3.713 30 20 CHED C=CCCN(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 265770448 IRVRBLKESTVQKU-WMZOPIPTSA-N 272.436 3.547 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C(C)(C)c1ccccc1 352457006 BHMRSWNXIZNQGR-UHFFFAOYSA-N 293.370 3.516 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2ccccn2)cc1 353052840 LOMOVSXAVBJCPC-QGZVFWFLSA-N 295.342 3.752 30 20 CHED COc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CCC2 267127185 VDPONBWTXNZOQM-LJQANCHMSA-N 292.382 3.734 30 20 CHED C=C(CNC(=O)N[C@@H](C)c1cc(C)oc1C)c1ccccc1 352340672 RDUOLHIBZBNQSV-AWEZNQCLSA-N 298.386 3.970 30 20 CHED C=CCn1c(C2CCC2)nnc1N1C[C@@H](C)c2ccccc21 350729923 OPKKPRMTJQZWRU-CYBMUJFWSA-N 294.402 3.987 30 20 CHED CC#CCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F 534999531 FQHXHDKZORMZMS-UHFFFAOYSA-N 281.330 3.554 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](C)C1 444134558 AKOHKIFJQZGWOE-YOEHRIQHSA-N 299.418 3.668 30 20 CHED C=CC(C)(C)C(=O)NCc1csc(-c2ccccc2)n1 448632423 JOCJJSXDGZNUQH-UHFFFAOYSA-N 286.400 3.639 30 20 CHED C=CCN(C(=O)Nc1ccccc1OC(C)C)C1CC1 357409195 NQIBKIUKGWCNLQ-UHFFFAOYSA-N 274.364 3.656 30 20 CHED C=CCCC(=O)Nc1cc(C)c(Cl)cc1OC 263703643 UVRKEZZCVYPADD-UHFFFAOYSA-N 253.729 3.562 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCC1CCCCC1 618742642 NRTVWLRKIFACLK-KRWDZBQOSA-N 254.377 3.715 30 20 CHED C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccc(C#N)c(F)c1 611475756 GKIOQHUHLYJTMK-JOYOIKCWSA-N 268.282 3.536 30 20 CHED CCCc1nc(C)c(C(=O)N(C)c2ccccc2C#N)s1 269810623 GSHWARQHTQMZHE-UHFFFAOYSA-N 299.399 3.552 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 361451810 JMNXILQRGOMMRU-KZNAEPCWSA-N 294.398 3.641 30 20 CHED COc1ccccc1CCCNc1cccc(CC#N)c1 453148755 PSAPQHCCEKDKNK-UHFFFAOYSA-N 280.371 3.806 30 20 CHED CC(C)c1cccc(CNC(=O)N2CCC[C@@](C)(C#N)C2)c1 614008335 ORRYPGOAQZLHGA-SFHVURJKSA-N 299.418 3.645 30 20 CHED C[C@@H](C(=O)NCC(C)(C)C#N)c1ccc2ccccc2c1 611690249 JTOXWANWPSBRDR-CYBMUJFWSA-N 280.371 3.609 30 20 CHED Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c2c1CCC2 451204695 VNGITGUXYALIRW-KRWDZBQOSA-N 296.414 3.638 30 20 CHED C=CCC(C)(C)CN[C@H](C)CCCc1cccnc1 453249713 YSCWAVFLABHGNW-OAHLLOKOSA-N 260.425 3.985 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](c2ccco2)C1 367750025 PJHKAECJWPHLPP-UONOGXRCSA-N 276.380 3.523 30 20 CHED CC(C)(C#N)CNC(=O)Nc1ccc2c3c(cccc13)CC2 611619980 VVEANTQKYZLNJT-UHFFFAOYSA-N 293.370 3.610 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H]2CC[C@H](C#N)C2)C1 278656513 QCXRGGUWCJTSPM-MWDXBVQZSA-N 268.404 3.865 30 20 CHED C=CCCCCN[C@H](C)c1ccc(N2CCOC2=O)cc1 274416856 FVWJZQMEKMSAMM-CQSZACIVSA-N 288.391 3.650 30 20 CHED COCCC1(CNc2nc(C)cc(C)c2C#N)CCCC1 610755532 PYRWRZBAYZJQSD-UHFFFAOYSA-N 287.407 3.579 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N(C)c1ccccc1C#N 544417875 FPWMGHNZZNFRNJ-ZDUSSCGKSA-N 272.392 3.983 30 20 CHED C=CCC[C@H](CCC)NC[C@H]1CCOC(C)(C)C1 453438994 VPUOKGGRFWIXRH-GJZGRUSLSA-N 253.430 3.916 30 20 CHED C=C(CNC(=O)c1cccc2cnccc12)c1ccccc1 360222164 PXCDZJNWGOIWLL-UHFFFAOYSA-N 288.350 3.678 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@]1(C)CC(C)C 452516741 XGSMNNIASCQEKB-QGZVFWFLSA-N 274.408 3.715 30 20 CHED CSCc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 273852252 CNMJUSRWJUPFAC-UHFFFAOYSA-N 285.372 3.545 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(-n2cccc2)c1 361951987 HRIVUETZPGYABC-SFHVURJKSA-N 295.386 3.535 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2cccnc2)CCCCC1 457495252 HFPGHAYZXUIWSR-CQSZACIVSA-N 287.407 3.721 30 20 CHED C=CCN(C(=O)Nc1ccc(-c2ncco2)cc1)C1CC1 272127453 UESGJTCHZNTQAM-UHFFFAOYSA-N 283.331 3.524 30 20 CHED C=CCC[C@H](CO)Nc1ccnc2c(Cl)cccc12 450911593 KIMRAGRUHIZKRO-LLVKDONJSA-N 276.767 3.627 30 20 CHED CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2)CS1 277318728 SZKOXNHEQVWKAH-APHBMKBZSA-N 274.433 3.739 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)CC(F)(F)F 451249987 QOZZVMGFBQFKOY-GHMZBOCLSA-N 263.303 3.532 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@H]1C(C)C 460960764 UADVDKXLDKPSJP-HNNXBMFYSA-N 290.455 3.678 30 20 CHED C=CCN(C(=O)c1ccc2cnccc2c1)C(C)(C)C 622945956 ZSGCLJOKZFUQCG-UHFFFAOYSA-N 268.360 3.662 30 20 CHED CN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCc2ccccc21 270197867 CZOLUMUABITZTF-SFHVURJKSA-N 290.366 3.512 30 20 CHED CC(C)(CCC#N)CN1CC[C@H](n2ncc3ccccc32)C1 374760665 MTERDCMGOLSGJV-INIZCTEOSA-N 296.418 3.613 30 20 CHED Cc1cccc([C@H]2CCN(c3nc(C)ccc3C#N)C2)c1 542275806 ACJYABMBGMLFSA-KRWDZBQOSA-N 277.371 3.564 30 20 CHED CC#CCCN(Cc1csc(Br)c1)C1CC1 462354139 LWXAOTOYAXIVKA-UHFFFAOYSA-N 298.249 3.888 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C 288472423 UWXLHYFJABKSCT-ZDUSSCGKSA-N 291.391 3.546 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(CC(C)(C)C)no1 463057950 TTZBJCPYMYPVSA-LLVKDONJSA-N 269.348 3.682 30 20 CHED C=CCCC(=O)NCCCCc1ccc(Cl)s1 284212616 UQPOJKKGNPFPJS-UHFFFAOYSA-N 271.813 3.807 30 20 CHED C#CCCCC(=O)Nc1ccccc1O[C@H](C)C(F)(F)F 288426209 XSFXJJDCNMQYDT-LLVKDONJSA-N 299.292 3.758 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](Oc1ccc(Cl)cc1)C(C)C 462126324 NPPJHWTWDOHNHG-DOMZBBRYSA-N 295.810 3.824 30 20 CHED C#CCCCCNC(=O)Nc1cc(C)c(OC)cc1Cl 289012499 VKVCDYXRGFRSNT-UHFFFAOYSA-N 294.782 3.582 30 20 CHED CCCCCN(C)c1ccc(F)cc1CNC[C@@H](C)C#N 558449428 APPTUUPKPOYGHS-AWEZNQCLSA-N 291.414 3.701 30 20 CHED C=C(C)COc1cccc(N[C@@H](c2nccn2C)C2CC2)c1 638251778 QEXIOSZQTNVXGJ-QGZVFWFLSA-N 297.402 3.938 30 20 CHED C=CCN(CCOc1ccc(F)cc1Cl)C1CC1 552835370 KGPWNSYGXUBVSS-UHFFFAOYSA-N 269.747 3.508 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 464756238 JUGSOLWIXZAZGW-MNOVXSKESA-N 266.772 3.617 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1c2ccccc2CCC[C@H]1C 463279362 PLIKMWRXMDCZJV-RHSMWYFYSA-N 286.419 3.918 30 20 CHED C=CCN(C(=O)c1c(-c2ccccc2C)noc1C)C1CC1 280279931 GXXWTKDBCSCRLI-UHFFFAOYSA-N 296.370 3.749 30 20 CHED CCC(=O)c1c(Cl)cccc1N(C)C[C@@H](C)C#N 634798231 ORJDJZDCXGDEJL-JTQLQIEISA-N 264.756 3.529 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1c2ccc(F)cc2O[C@@H]1C 554372724 SWRQYIFAQGBVRL-PVTKRXDGSA-N 263.356 3.838 30 20 CHED CCCN(CC#N)Cc1ccc(C(C)C)nc1CC 293266876 XUWKPVRAWNIGHK-UHFFFAOYSA-N 259.397 3.503 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(-c2csc(C)n2)cc1 806176461 QAIUHAZRRAYGLR-CYBMUJFWSA-N 299.399 3.652 30 20 CHED CC(C)[C@@H](C#N)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 470147607 GAFJWHGASXXRNM-BFHYXJOUSA-N 264.413 3.503 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)CC1 476588894 QJPUAYPEMDCQCQ-HZPDHXFCSA-N 293.451 3.833 30 20 CHED CC(C)(C#N)CCN(CCC(F)(F)F)CC(F)(F)F 553896773 SBSRSPIRPOWWMR-UHFFFAOYSA-N 290.251 3.743 30 20 CHED CC[C@@](C)(NC(=O)CCCCCC#N)c1ccccc1 808380206 BAMLDNYRYAFZQS-QGZVFWFLSA-N 272.392 3.902 30 20 CHED C=CCCC1(C(=O)N(C)CCCc2ccccc2)CC1 474899323 TXLIBMHJTXQIPK-UHFFFAOYSA-N 271.404 3.824 30 20 CHED N#Cc1nccnc1Oc1ccc(SC(F)(F)F)cc1 804838510 DIJHGTANCGPKSK-UHFFFAOYSA-N 297.261 3.752 30 20 CHED Cc1ccc(Cc2noc(-c3ccc(C)c(C#N)c3)n2)s1 809535541 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CHED CC(C)[C@H]1CCC[C@H](NC(=O)CCCCCC#N)C1 588156803 BGQQRBLDEPHDHT-GJZGRUSLSA-N 264.413 3.791 30 20 CHED C=CCC1(C(=O)OCc2nccn2C(F)F)CCCCC1 838150052 KRHILKCQYCCXID-UHFFFAOYSA-N 298.333 3.848 30 20 CHED N#CCCCC(=O)N1Cc2ccccc2-c2ccccc21 589754275 GCALFKDJVDSSSG-UHFFFAOYSA-N 276.339 3.894 30 20 CHED Fc1ccc(NN=Cc2ccc(Cl)s2)cc1 839383973 RJILZLKKZQPPNG-UHFFFAOYSA-N 254.717 3.987 30 20 CHED CCc1sc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1C 839044951 WLMOIIFJJMZBBP-NWDGAFQWSA-N 277.389 3.858 30 20 CHED C[C@H](OC(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1cccc(C#N)c1 835132417 RZYNHDZIJIRMAV-MWNCTCPHSA-N 269.344 3.599 30 20 CHED CO[C@@H]1CC(=NNc2ccc3ccccc3n2)C12CCC2 834917531 JYCGKMBBMLOLDR-OAHLLOKOSA-N 281.359 3.592 30 20 CHED C[C@@H](CC(=O)N[C@H](CCC#N)c1ccccc1)c1ccco1 599711247 SSJPIBIGQUGYQY-GOEBONIOSA-N 296.370 3.934 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(F)(F)CC1 670208383 CTGYBGHPNCOEPI-LBPRGKRZSA-N 298.381 3.603 30 20 CHED Cc1ccc(C=NNc2oc(C(C)(C)C)nc2C#N)cc1 746497855 DYHNELIXJICICU-UHFFFAOYSA-N 282.347 3.598 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(c2cccc(OC)c2)CC1 671790240 ZRRCACLLFPWIHF-AWEZNQCLSA-N 287.403 3.588 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc3cc(O)ccc3c2)cn1 748999461 AHEWXADIFVCYJD-BAQGIRSFSA-N 292.338 3.658 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2occc2C(C)C)n1 598858812 QVCJAIDOFNTEMC-UHFFFAOYSA-N 283.331 3.539 30 20 CHED N#CC1(COC(=O)C2(c3ccccc3Cl)CCC2)CC1 845305729 IXSAXTUEIJPBJC-UHFFFAOYSA-N 289.762 3.609 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc3ccnc(Cl)c3c2)C1 841464322 LNBPMZDNDHDMQC-UHFFFAOYSA-N 299.761 3.767 30 20 CHED COc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)c(C)c1 840729597 NQPXKJYXCRFSNO-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C[C@H](CC(=O)NCCc1ccc(C#N)cc1)CC(C)(C)C 597893721 YNENBAFRMQPVHW-CQSZACIVSA-N 286.419 3.679 30 20 CHED C=CCN(C(=O)CCSc1ccccc1)C(C)C 914683612 VDDWVPLELYSDMG-UHFFFAOYSA-N 263.406 3.592 30 20 CHED CC(C)O[C@@H](CN(C1CC1)[C@H](C)C#N)c1ccccc1 595710955 XWEJQBWZECMVKU-PBHICJAKSA-N 272.392 3.529 30 20 CHED CC(C)C[C@H]1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593989283 MTBBNGVPPKTXDS-CRAIPNDOSA-N 298.430 3.631 30 20 CHED CO[C@]1(C)CC(=NNc2cc([N+](=O)[O-])ccc2C)C1(C)C 746576941 RSRYAQOSAZJVJQ-OAHLLOKOSA-N 291.351 3.506 30 20 CHED C#Cc1cncc(-c2nc(C3CCCCCC3)no2)c1 849342689 XAMZCFMZCFYRPH-UHFFFAOYSA-N 267.332 3.551 30 20 CHED C#CC1CCN(Cn2ccc(=S)c3ccccc32)CC1 842634232 REZXHFDUMSEWTG-UHFFFAOYSA-N 282.412 3.673 30 20 CHED C=CCCCCCCNC(=O)c1cn(C)nc1C1CCC1 840459490 VAMOVKYXEASMHQ-UHFFFAOYSA-N 289.423 3.554 30 20 CHED C=CCC(F)(F)C(=O)NC1(c2ccccc2Cl)CC1 843629773 ISLSCARHAVLBGO-UHFFFAOYSA-N 285.721 3.657 30 20 CHED Clc1ccc([C@@H]2CCCC(=NNc3nc[nH]n3)C2)cc1 841637228 IARNFZNLIHJMQI-LLVKDONJSA-N 289.770 3.584 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CCOc2ccccc21)C(C)(C)C 842336881 YLGUOWVWLQWGEI-ZBFHGGJFSA-N 286.371 3.534 30 20 CHED C=C[C@H](C)ONC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 846545389 NWBYVERUYJPNDT-VUCTXSBTSA-N 281.355 3.566 30 20 CHED CCSc1cccc(NC[C@H](O)CC(C)(C)C#N)c1 598726158 OIXKGZIVYGWOJU-CYBMUJFWSA-N 278.421 3.511 30 20 CHED C[C@H]1OCC[C@H]1NCc1cccc(-c2ccc(C#N)s2)c1 747869621 MKHVAEBMLGYHGB-MLGOLLRUSA-N 298.411 3.554 30 20 CHED N#CCc1ccc(-c2ccccc2OC[C@H]2CCOC2)s1 592985967 JMOCHDNUBKDZHP-ZDUSSCGKSA-N 299.395 3.896 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCC1(CC#N)CC1 596300652 DEDFCMMYQWZSKZ-UHFFFAOYSA-N 260.724 3.593 30 20 CHED O=C(/C=C/c1ccnn1CC1CC1)c1csc(Cl)c1 849249007 CMQBJBBHEXPOCH-ONEGZZNKSA-N 292.791 3.904 30 20 CHED O=C(/C=C/c1coc(-c2ccccc2)n1)c1cccc(O)c1 749885979 HHUJYUVTSRFQIA-MDZDMXLPSA-N 291.306 3.943 30 20 CHED CCC[C@@H](C/N=C\c1c(O)ccc2ccccc12)OC 840705167 CETBBOWVOSBHCN-HIXWQLQUSA-N 271.360 3.779 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cc(F)cc(F)c1 748906874 QBIMDRVIGRSZEK-UHFFFAOYSA-N 287.265 3.502 30 20 CHED O=C(O)c1cccc(NN=Cc2cc3cc(F)ccc3o2)c1 741759157 GWXJEJSATZWDCH-UHFFFAOYSA-N 298.273 3.716 30 20 CHED CC(=NOCc1cccnc1)c1ccc(F)cc1Cl 746585932 PHIUDPQYFNHZNF-UHFFFAOYSA-N 278.714 3.815 30 20 CHED C[C@H]1CC2(CCOCC2)CN1c1cccc(Cl)c1C#N 591993968 SFJVVBJHXSBKNJ-LBPRGKRZSA-N 290.794 3.607 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@H](N)[C@H](CC)C1 841661564 YAGTVNSTXBDQKF-CVEARBPZSA-N 297.487 3.506 30 20 CHED C=CCCOc1c(C(F)(F)F)ccnc1Br 849895300 RQGAZJXQSFTVKC-UHFFFAOYSA-N 296.086 3.818 30 20 CHED COCc1cccc(C=NNc2cccc3cnccc23)c1 743438300 MKMBOXDPIOEXLD-UHFFFAOYSA-N 291.354 3.827 30 20 CHED CC1(C)C(=NNc2cc(F)c(F)cc2F)[C@@H]2CCCO[C@@H]21 743440785 YOBUTUMTKUEXFZ-RTHLEPHNSA-N 298.308 3.707 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1cc(C)oc1C 747062444 XCEGSEJWOGVSOH-UHFFFAOYSA-N 287.319 3.949 30 20 CHED C#CCCCNCc1cc(C(F)(F)F)ccc1Cl 753855104 YACZQEUSLIGSHT-UHFFFAOYSA-N 275.701 3.862 30 20 CHED CCCn1nc(C)c(-c2ccc([C@H](C#N)OC)cc2)c1C 854195210 AYYYKLFIAYQBQD-INIZCTEOSA-N 283.375 3.788 30 20 CHED N#CC1(c2cccc(-c3cnn([C@H]4CCCCO4)c3)c2)CC1 854210798 SIMKISAHBPMHKE-QGZVFWFLSA-N 293.370 3.804 30 20 CHED C#C[C@](C)(CC)NCc1nc(-c2cccs2)oc1C 852097989 BTKVBJNZOYRLKR-OAHLLOKOSA-N 274.389 3.603 30 20 CHED CCOc1ccc(/C=N/CCc2cccs2)c(O)c1 920945260 UETLMDUNEMNMRA-LFIBNONCSA-N 275.373 3.514 30 20 CHED C=CCC(F)(F)C(=O)NCc1cc(Cl)cc(Cl)c1 855151368 MRIGXTQZKZQGDP-UHFFFAOYSA-N 294.128 3.821 30 20 CHED CCC(=CC(=O)O[C@@H](C)c1cccc(C#N)c1)CC 759547149 CHGUHQHMTLSVLB-LBPRGKRZSA-N 257.333 3.909 30 20 CHED COCC[C@@H]1CCCC1=NNc1cc(F)ccc1C 853393791 QQKHARUUOXFHQS-LBPRGKRZSA-N 264.344 3.739 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CC[C@@H]1C 920044750 VUWPAYYXVYWZHS-KGLIPLIRSA-N 254.418 3.787 30 20 CHED CC(=NOCC(F)F)c1cc(Br)ccc1F 758913098 ZXCOJBNNCXQCGP-UHFFFAOYSA-N 296.086 3.594 30 20 CHED N#Cc1cc(C(=O)O[C@@H]2COc3ccccc32)ccc1Cl 754365157 KSKOAMQIMOWWOL-OAHLLOKOSA-N 299.713 3.502 30 20 CHED CC1(C)CC(=NNc2cccc(F)c2)C(C)(C)O1 755890922 SDFGQSSIYYAPCY-UHFFFAOYSA-N 250.317 3.571 30 20 CHED Cc1ccc2c(c1)C(=NOCc1cccnc1)CCC2 753928092 HMSHEILMXZCBBM-UHFFFAOYSA-N 266.344 3.647 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H](C)CCC(C)(C)C 754393300 XGTBNAGHAYLKPT-CQSZACIVSA-N 266.429 3.847 30 20 CHED N#CC1(CC(=O)Oc2cccc(OC3CC3)c2)CCCCC1 851346816 OPRJERHBHXNCIA-UHFFFAOYSA-N 299.370 3.997 30 20 CHED C#CCN(C(=O)C[C@H]1C[C@H](C)c2c(C)cccc21)C1CC1 754313436 ZTYLDMOVBVCNKT-LSDHHAIUSA-N 281.399 3.600 30 20 CHED C[C@H](ON=CC1CC1)C(=O)Nc1ccc(C(C)(C)C)cc1 853735171 OMWIKRKWLCENDT-LBPRGKRZSA-N 288.391 3.724 30 20 CHED COCCC(=NNc1cc(F)c(F)cc1F)C(C)C 756828704 FYEHQDOFWAMUIS-UHFFFAOYSA-N 274.286 3.564 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(-c2cnn(C)c2)c1 856373923 FIZZIAFRZXDUEL-UHFFFAOYSA-N 297.402 3.562 30 20 CHED CC1(C#N)CCN(C(=O)Nc2ccc(C(F)F)cc2)CC1 933101273 LFDIUYQMWFWONW-UHFFFAOYSA-N 293.317 3.782 30 20 CHED C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](C#N)C1 932156756 OZHUDUBDCSHCOA-UONOGXRCSA-N 281.359 3.638 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc2cnccc2n1 851144456 RUYBYIKZBAWLJH-GUYCJALGSA-N 296.370 3.922 30 20 CHED CC(C)(C(=O)NCCc1ccc(C#N)cc1)C1CCCCC1 855224186 DNNVEGGQEWCJLE-UHFFFAOYSA-N 298.430 3.823 30 20 CHED C#C[C@H](CC)NC(=O)c1ccccc1Sc1ccccc1 754682200 AZVCPVFROWDVRB-CQSZACIVSA-N 295.407 3.979 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1ccc(C(F)F)cc1 933101339 QNPPFJLOVSMYFG-AWEZNQCLSA-N 266.291 3.548 30 20 CHED COc1cc(F)c(C(=O)/C=C\c2ccsc2)cc1OC 760262573 BHUOJURBTVGRNE-ARJAWSKDSA-N 292.331 3.801 30 20 CHED Cc1cccc(NN=Cc2cccc(-n3cccn3)c2)c1 760217548 WZIQODQJWCPKGB-UHFFFAOYSA-N 276.343 3.627 30 20 CHED C1=CC[C@H](C=NNCCCOCc2ccccc2)CC1 863178405 PIVIRKFIABCURG-INIZCTEOSA-N 272.392 3.525 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1c(F)cccc1F 768372023 OWYNDPFCQSZXNO-UHFFFAOYSA-N 281.302 3.842 30 20 CHED CCCCCCC[C@@H](C)NC[C@@](C)(O)c1ccco1 768517608 NSYVAZDXDJCVIA-GDBMZVCRSA-N 267.413 3.826 30 20 CHED COCCCC(C)=NNc1c(F)cccc1Cl 769827170 QFYATVIXPRVPSD-UHFFFAOYSA-N 258.724 3.694 30 20 CHED C#Cc1ccc(NC(=O)N(C2CCCC2)C2CC2)cc1 934936086 WAIVKQTWLGGHHU-UHFFFAOYSA-N 268.360 3.607 30 20 CHED C#CCCNC1(c2ccc(Br)cc2)CCCC1 760854865 QEUSPSXMRHSPSV-UHFFFAOYSA-N 292.220 3.831 30 20 CHED CC(=O)c1cc(C#N)ccc1N[C@@H](C)c1cccc(C#N)c1 864031085 VCWBVYPTFHNRDG-LBPRGKRZSA-N 289.338 3.806 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(C(C)(C)C)s1 761417088 HSIJYEXKLIILHV-UHFFFAOYSA-N 280.389 3.738 30 20 CHED CCC(CC)(CC)C(=O)OCc1ccc(F)c(C#N)c1 761479661 MBSBVCUPISQVFT-UHFFFAOYSA-N 277.339 3.957 30 20 CHED Cc1ccc(C=NNCc2ccc(C(F)(F)F)cc2)cn1 764905056 QXCDOZRVDAPZIQ-UHFFFAOYSA-N 293.292 3.533 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(OC(C)(C)C)cc1 761410537 JBOATQGSJHMNRM-UHFFFAOYSA-N 290.359 3.556 30 20 CHED CC(C)(Oc1ccc(C#N)cc1)c1nnc(C2CCC2)o1 1117217993 GYEGCFCSYGFXRJ-UHFFFAOYSA-N 283.331 3.523 30 20 CHED C#C[C@H](NC[C@@H](C)CCC#N)c1ccc(Cl)cc1 877540958 IXJDWXJEZWHYLE-WFASDCNBSA-N 260.768 3.544 30 20 CHED COC(=O)c1occc1/C=C1/C(=O)c2cccc(C)c2[C@@H]1C 766696338 QTAOWPXQNKBKGS-ZECSTPGPSA-N 296.322 3.758 30 20 CHED CCS[C@@H]1CCC[C@H](Nc2cccc(CC#N)n2)C1 1116661937 MHWUYXPPBSYBKS-UONOGXRCSA-N 275.421 3.624 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1C[C@H](O)c1cccs1 876802102 BNAUCGYXGGKINA-ILXRZTDVSA-N 292.448 3.576 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H](C)c1nc2ccccc2o1 879059995 OYHFXXZHRVEGPW-LBPRGKRZSA-N 286.375 3.650 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2cc(Cl)ccn2)o1 777907423 ULOYXGLIDXMGCW-SKDRFNHKSA-N 275.739 3.897 30 20 CHED CC1(C)CC(=NOC2CCOCC2)CC(C)(C)C1 774436839 ZZXCXUCNHBREMN-UHFFFAOYSA-N 253.386 3.774 30 20 CHED C=CCc1ccc(OC(=O)c2coc(C3CC3)n2)c(OC)c1 776743615 OAVXLLLOXLOHAF-UHFFFAOYSA-N 299.326 3.508 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1sccc1C 776189134 BDXWMXMREUACTC-FPLPWBNLSA-N 288.368 3.970 30 20 CHED Cc1c(C#N)cccc1NC(=O)C(F)=C1CCCC1 771761145 XPURSUSXIJRQLZ-UHFFFAOYSA-N 258.296 3.603 30 20 CHED C=C(Cl)CN[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 877149353 MBHSSQMAZUDOKF-WBVHZDCISA-N 290.838 3.697 30 20 CHED C=CCOCCN1C[C@H]2CCCC[C@]21c1ccccc1 1117788110 HFCVSEHIOQFULI-MSOLQXFVSA-N 271.404 3.590 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(C#N)cc1F 772805401 GUTMRAMOCAGCBK-PLNGDYQASA-N 271.316 3.963 30 20 CHED CC1(C)C[C@H](Nc2nc3ccccc3cc2C#N)C(C)(C)O1 777996931 FJHIQYUAMDBVPR-HNNXBMFYSA-N 295.386 3.864 30 20 CHED C#CCCCCCC(=O)Nc1ccc(N2CCCCC2)nc1 779768763 NNSLGBHRUAXLPY-UHFFFAOYSA-N 299.418 3.594 30 20 CHED Clc1cccc2c1CCC2=NNc1ccc2[nH]ncc2c1 779818611 LMNBCYUFMFQBJV-UHFFFAOYSA-N 296.761 3.979 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@H]2CCNc3ccccc32)C1 1122062254 LALJJUXOKNQQOQ-HOTGVXAUSA-N 298.430 3.791 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)OCCC(C)(C)C#N 776396099 OTCFTPFQUXXHOW-NWDGAFQWSA-N 277.389 3.643 30 20 CHED CC[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CC1(C)C 1129857544 AQHMWNNSTMEXEQ-OCCSQVGLSA-N 290.794 3.766 30 20 CHED C#CC[C@@H](NCc1cccc2nsnc12)c1ccccc1 775400563 PRWXOIPXMFTIMU-OAHLLOKOSA-N 293.395 3.546 30 20 CHED C=C(CC)C(=O)Nc1ccc(C)c(OC(F)F)c1 1123570338 FKGRFYCMNBFOGG-UHFFFAOYSA-N 255.264 3.501 30 20 CHED C#CCCCCCC(=O)N(C)CCC1CCCCC1 780460694 FHHFHQNWEGBPSF-UHFFFAOYSA-N 263.425 3.999 30 20 CHED C=CCC1(O)CCN([C@H](CC)c2ccc(F)cc2F)CC1 886766928 VQTYUXKBWYTBDQ-MRXNPFEDSA-N 295.373 3.819 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1C 1124900674 VFVYBPDJOLSURV-ZBFHGGJFSA-N 270.376 3.565 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O 787025126 DGYNNPMNFUKMQC-GTNSWQLSSA-N 296.345 3.741 30 20 CHED Cc1ccc(O)c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 787034696 TXVYWXWONRFVDK-ACJLOTCBSA-N 292.382 3.910 30 20 CHED C/C=C\C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485916 OAWSWEIFOFBOQT-PKXJPQMGSA-N 290.366 3.979 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1cc(C)nn1C 789037124 IIBIVGCDRCIGQF-UHFFFAOYSA-N 297.189 3.871 30 20 CHED C#CCCCCC(=O)Oc1ccc(F)c(C(F)(F)F)c1 785971960 WWLRGWDPPYLTJB-UHFFFAOYSA-N 288.240 3.944 30 20 CHED CC(C)(C#N)CC(=O)OCC(=O)c1ccc2ccccc2c1 785097566 SMIVWEGGCIMCKE-UHFFFAOYSA-N 295.338 3.506 30 20 CHED C#CCC1(c2nc(-c3cccc(N)c3)no2)CCCCC1 788097699 VQPUNCXPPFUEGA-UHFFFAOYSA-N 281.359 3.544 30 20 CHED C=CCCCCCOC(=O)c1csc([C@@H]2CCCO2)n1 784381958 VXWJXSZWQAPFPK-ZDUSSCGKSA-N 295.404 3.898 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)[C@@H]1CCCO1 783812931 DSIUKUMWSRDETH-LBPRGKRZSA-N 273.163 3.960 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(CO)c(C)cc2C)c1 787141742 PGPQDNKYLOKIMN-UHFFFAOYSA-N 299.370 3.651 30 20 CHED CC(C)(C#N)COC(=O)c1ncsc1-c1ccccc1 783125968 VNYBDGPAPWPKKG-UHFFFAOYSA-N 286.356 3.517 30 20 CHED N#C[C@@H]1CCCN(c2ncc(-c3ccccc3)s2)C1 895651249 WADDPAYWTUTHBX-LBPRGKRZSA-N 269.373 3.550 30 20 CHED C=C1CCC(C(=O)Oc2cccc(C(C)=O)c2F)CC1 893308396 JCBPNEXZGKLSRB-UHFFFAOYSA-N 276.307 3.680 30 20 CHED CCCCCCCCCC(=O)NCc1ccc(C#N)cn1 782030425 MWVRGKKQLCLCKU-UHFFFAOYSA-N 287.407 3.710 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1cc(C#N)ccc1F 891453750 HZUOIHGOAVYBKP-AWEZNQCLSA-N 266.291 3.554 30 20 CHED CCCCCCCCNC(=O)NCC1(SC)CC1 789132754 NZHGCEVFEHSIOG-UHFFFAOYSA-N 272.458 3.542 30 20 CHED CC[C@@H]1c2ccccc2CN1c1nccc(C)c1C#N 897354876 WNLDQKDHSPCONM-MRXNPFEDSA-N 263.344 3.733 30 20 CHED CCC[C@H](NC(=O)c1ccc(C)c(C#N)c1)c1ccccn1 799333548 ZOVWPELWSNKWCO-KRWDZBQOSA-N 293.370 3.533 30 20 CHED Cn1nccc1[C@@H]1CCCC(=NN[C@H]2CCCC2(C)C)C1 790298606 MZSXABAVSKRDJU-CJNGLKHVSA-N 288.439 3.602 30 20 CHED CSCCON=Cc1nc(-c2ccccc2)cs1 794573583 FRXLAYVTWOJHKW-UHFFFAOYSA-N 278.402 3.524 30 20 CHED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccnc(O)c1 791431625 JDGMLXAHHNJEMB-ZZXKWVIFSA-N 293.244 3.702 30 20 CHED COC(=O)c1cc(NN=CC2CCCCC2)ccc1C 793089698 LHKAIQCTNOCBFL-UHFFFAOYSA-N 274.364 3.760 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc(C#N)cc1Cl 795007228 VQTIOJJWDILMSZ-UHFFFAOYSA-N 288.713 3.582 30 20 CHED Fc1cccnc1NN=C1CCC[C@H](C(F)(F)F)C1 794988928 AWUHOFZDFDEGOS-QMMMGPOBSA-N 275.249 3.741 30 20 CHED CC(CCC1CC1)=NNc1cccc(F)c1[N+](=O)[O-] 790310816 RJLVXMSXVPWALY-UHFFFAOYSA-N 265.288 3.712 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1C[C@@H](C)N(C2CC2)C1 793530849 GIZAQXPSPRLCOQ-ARFHVFGLSA-N 264.457 3.726 30 20 CHED C#C[C@H](NC(=O)Nc1ncc(-c2ccccc2)s1)C(C)C 799182276 OBJCXRIDZOVEJK-ZDUSSCGKSA-N 299.399 3.589 30 20 CHED CC(C)C[C@@H](C)COC(=O)Cc1ccccc1CC#N 798649140 ZIMGANHYGUMRAL-CQSZACIVSA-N 273.376 3.521 30 20 CHED CC[C@@H](C#N)OC(=O)CC(C)(C)CC(=O)c1ccccc1 799571615 QZKRXVAQSPRKJJ-AWEZNQCLSA-N 287.359 3.521 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)no1 791431270 IPNUFUOREXYPRX-AATRIKPKSA-N 281.233 3.898 30 20 CHED CC1(C)CCC[C@H](Nc2ccc(Cl)c(C#N)n2)C1 1307097338 UQHIMRWDECSJIH-JTQLQIEISA-N 263.772 3.987 30 20 CHED Cc1csc(COc2c(C)cc(C#N)cc2C)n1 88521241 LHFLLIBMSRSRTP-UHFFFAOYSA-N 258.346 3.519 30 20 CHED C[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[C@H]2CC[C@H]1C2 1162090720 PVMNJUTUPHKCIH-XKNYDFJKSA-N 281.812 3.905 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2nc(Cl)c(C#N)s2)C1 300127444 JOCMEPXNMLKSAF-BRPSZJMVSA-N 269.801 3.905 30 20 CHED CC(C)[C@@H](C#N)C=NNc1ccc(C#N)c(C(F)(F)F)c1 1319397602 RTWYWUDQARWDKU-NSHDSACASA-N 294.280 3.771 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1320417941 AMZMHFXVVOQLBO-QWRGUYRKSA-N 299.773 3.638 30 20 CHED CCCCCCCNC[C@H](O)c1ccc(F)c(F)c1 703749632 XURXFIQQGCFYMC-HNNXBMFYSA-N 271.351 3.558 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1=CCCC1 592071440 GEIDEPPQHOBKPA-ROUUACIJSA-N 266.388 3.868 30 20 CHED C=CCC[C@H](Nc1ccc(CCC(N)=O)cc1)c1ccco1 1321859495 ZBIUGIQTCCUGDA-INIZCTEOSA-N 298.386 3.817 30 20 CHED C=C[C@H](COC)N[C@H](CC)c1ccc(OC(F)F)cc1 1320592983 VPOPMVHFJKPBNB-TZMCWYRMSA-N 285.334 3.530 30 20 CHED CC(C)CCN(CCC#N)C(=O)OC1CCCCC1 1186666506 LTYHVGBQMJELSF-UHFFFAOYSA-N 266.385 3.717 30 20 CHED C=CCCc1noc([C@H]2Cc3ccc(C)cc3S2)n1 1324551392 PYAKOMPOYMXOLV-CYBMUJFWSA-N 272.373 3.886 30 20 CHED Cn1cnc(CSc2ccc(C#N)c(C(F)(F)F)c2)c1 1189049455 ITHSCYYHRFSXCS-UHFFFAOYSA-N 297.305 3.603 30 20 CHED C=CCN(Cc1noc(C2CCCCC2)n1)C(C)(C)C 661759395 FGCGHCANIWHRQL-UHFFFAOYSA-N 277.412 3.904 30 20 CHED N#Cc1cc(Cl)nc(N2CCC[C@H]2c2ccccc2)c1 1337717600 IAFIOKJRBZKBBD-AWEZNQCLSA-N 283.762 3.948 30 20 CHED Oc1ccc2c(n1)CCCC2=NNc1ccccc1Cl 1253079331 ABQAHYUDDLJDIK-UHFFFAOYSA-N 287.750 3.593 30 20 CHED Cc1cccc(Oc2cccc(F)c2C#N)c1[N+](=O)[O-] 93406797 IEHGEDMITMWBDU-UHFFFAOYSA-N 272.235 3.706 30 20 CHED CN(C(=O)C1(C#N)CCCCC1)C1CCC(C)(C)CC1 94820059 MUFZJLDLOMMFIS-UHFFFAOYSA-N 276.424 3.888 30 20 CHED CC[C@H]1CN(CCC2(C#N)CCCCC2)[C@H](CC)CO1 1195863061 PWRRGDWKCPPWPV-CVEARBPZSA-N 278.440 3.740 30 20 CHED C[C@H](CC(=O)N[C@@H](C#N)C1CCCC1)c1ccc(F)cc1 1331978838 JEWKGFYSQUXRMJ-WBMJQRKESA-N 288.366 3.518 30 20 CHED CC[C@@H](NCCCC(F)F)c1ccc(C#N)cc1 1334041717 WPNFIYKWLRJLII-CYBMUJFWSA-N 252.308 3.644 30 20 CHED CCCCCCCCC(=O)NC1(c2ncon2)CCCC1 1263944842 RLCNMONLVLOCLK-UHFFFAOYSA-N 293.411 3.706 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1cc(-c2ccccc2)ccn1 1343992173 NWGBCKXRZGFUID-INIZCTEOSA-N 294.354 3.844 30 20 CHED Cc1cc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c(C)cc1Cl 1342679577 FDBMTXKDQDNHFD-NEPJUHHUSA-N 277.751 3.806 30 20 CHED CCC(CC)C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1347391243 GRBBLLMGFNWIGP-JTQLQIEISA-N 289.766 3.829 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2occc2-c2ccccc2)C1 1344604796 CEYGZVOKOFXCIE-OCCSQVGLSA-N 281.311 3.796 30 20 CHED CCCOc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1 1519534531 HPTISTOUGYUASD-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C(C)=O)cs1 156782464 REOQIYHCAMTSEZ-UHFFFAOYSA-N 279.405 3.769 30 20 CHED N#Cc1cncc(Nc2cccc(Nc3ccccc3)c2)n1 1458088902 LJUJJHUIJMRPFP-UHFFFAOYSA-N 287.326 3.835 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 1534722241 OQBIRFXPCNBPRX-INIZCTEOSA-N 296.414 3.675 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2c(s1)CCCCC2 1536521522 MCMKOZAYNQLWGT-ZDUSSCGKSA-N 290.432 3.781 30 20 CHED N#Cc1ccccc1OCC(=O)c1ccc(F)c(Cl)c1 1613317725 SPKNIUKSFWUBEK-UHFFFAOYSA-N 289.693 3.612 30 20 CHED CCC1(CC)[C@H](Nc2cccc(OCC#N)c2)C[C@H]1OC 1474430808 QLOZSPFJIMJHTE-HZPDHXFCSA-N 288.391 3.595 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1ncc(Cl)s1 1559218615 IYKQPEHGPVAIOZ-VIFPVBQESA-N 277.780 3.866 30 20 CHED Cc1cnccc1CN(CC(C)C)c1ccc(C#N)cc1 1642133760 XMPOTNPZCRVSMT-UHFFFAOYSA-N 279.387 3.924 30 20 CHED Cc1c(Cl)cnc(N(Cc2ccoc2)C2CC2)c1C#N 1655896313 KKXGWGFJCVEOCR-UHFFFAOYSA-N 287.750 3.677 30 20 CHED Cc1cc(Oc2cnc3c(C)cccc3c2)ncc1C#N 1655582412 MQBNRWUSOISECL-UHFFFAOYSA-N 275.311 3.911 30 20 CHED Cc1cc(NC(C2CCC2)C2CCC2)ncc1C#N 1651830321 SVEQUHNJVFAGCC-UHFFFAOYSA-N 255.365 3.642 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)c(C)c1 5156274 CVIIMJVCIZUNLE-QPJJXVBHSA-N 294.350 3.971 30 20 CHED CC[C@H](C)CNc1ccn(-c2ccc(C#N)cc2Cl)n1 1656998697 NHWDZAMCGKDLNG-NSHDSACASA-N 288.782 3.855 30 20 CHED CCc1ccc2c(c1)CN([C@@H](C#N)c1ccccc1)CC2 1660721156 SIUHMPMPNOTNEW-IBGZPJMESA-N 276.383 3.872 30 20 CHED CCN(Cc1ncccc1F)[C@H](C)c1ccc(C#N)cc1 1663888547 FYUKEACAYCWQAU-CYBMUJFWSA-N 283.350 3.675 30 20 CHED CC(C)[C@@H]1/C(=C/c2ccc(C(=O)O)[nH]2)C(=O)c2ccccc21 1591068292 YGCZFWVDFLRWDQ-MBSJSRAVSA-N 295.338 3.732 30 20 CHED C=CCCC[C@H](NCc1ccc(CC2CC2)s1)C(=O)O 1776171068 DODGYVZNCRDFNW-HNNXBMFYSA-N 293.432 3.600 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2ccc(C(=O)O)cc2)C1 1776012665 JSKLRKRMTGNBKT-CHWSQXEVSA-N 274.364 3.999 30 20 CHED C[C@@H]1C/C(=C\c2ccc(C(=O)O)nc2)C(=O)c2sccc21 1776589507 HMYJROHOZIQCDF-MXFUOJGSSA-N 299.351 3.615 30 20 CHED CCCC(=NNc1ccc(C(=O)O)nc1)C1CCCCC1 1776069385 HFDDGTKPCZOSET-UHFFFAOYSA-N 289.379 3.928 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H](CC)c1ccc(F)cc1F 161365574 KNHFRGICUAQATK-HZMBPMFUSA-N 299.386 3.840 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)[C@H](C)c1ccccc1 151141141 KNBHSSVCGGSEIS-UONOGXRCSA-N 282.362 3.979 30 20 CHED C#CCCCCNC(=O)Nc1cccc(SC(F)F)c1 153406841 NMTFWCALPFEUDU-UHFFFAOYSA-N 298.358 3.926 30 20 CHED C=C(C)CNC(=O)c1ccccc1Oc1ccccc1C#N 154321466 NWKYAMLTJRLOCL-UHFFFAOYSA-N 292.338 3.656 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2cc(C#N)ccc2F)n1 159766545 ACUYCSOQPNKCNC-SFHVURJKSA-N 295.361 3.738 30 20 CHED Cc1cc(CN2C[C@@H](C)CC(C)(C)C2)ccc1C#N 1657529283 IEBFDQFZKGIOLK-ZDUSSCGKSA-N 256.393 3.735 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)cc(Cl)n1 817456934 JBMADBJBTZBDSC-UHFFFAOYSA-N 287.190 3.721 30 20 CHED Cc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)o1 37280831 IAXYKPUXZFMWKQ-OLZOCXBDSA-N 254.333 3.872 30 20 CHED N#Cc1ccc(Sc2ncccn2)cc1C(F)(F)F 37306510 CIOQHBLGCLRFCY-UHFFFAOYSA-N 281.262 3.518 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cc2c(s1)CCCCCC2 264027265 JJILQHKJDJEOKH-GFCCVEGCSA-N 290.432 3.781 30 20 CHED N#C[C@H](NC(=O)c1ccccc1Cl)C1CCCCC1 40360039 UYFHNDWQGWWWKT-AWEZNQCLSA-N 276.767 3.542 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc2[nH]ccc12 174978940 JNRXUYKJLQCDJI-UHFFFAOYSA-N 290.366 3.996 30 20 CHED CC(C)(C)C1CCN(Cc2ccc(C#N)cc2F)CC1 50346961 CONDPYQPIVWYND-UHFFFAOYSA-N 274.383 3.955 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(CC#N)C1CCCC1 308083425 BYPRQFIXJFNWAT-CQSZACIVSA-N 264.413 3.744 30 20 CHED COCc1ccc(CNc2cccc(CC#N)c2)cc1 313421150 BOVSHJWIYCPVBB-UHFFFAOYSA-N 266.344 3.511 30 20 CHED C[C@@H]1Cc2ccccc2CN1c1nccc(C#N)c1Cl 342837709 DXYMLYHHLQNPHO-LLVKDONJSA-N 283.762 3.558 30 20 CHED Cc1ccnc(NC2CC(c3ccccc3)C2)c1C#N 359946282 JCXBKVDIXVRONE-UHFFFAOYSA-N 263.344 3.620 30 20 CHED C=CCCCCNCc1nc2ccccc2n1CCC 380473269 JIAMDJFRUGGQAV-UHFFFAOYSA-N 271.408 3.892 30 20 CHED N#CCOc1cccc(NCc2sccc2Cl)c1 394101898 VQKPRUWAAWTSTR-UHFFFAOYSA-N 278.764 3.916 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C)c(Br)c1 767044670 BGXCJVHSCLPMPP-UHFFFAOYSA-N 294.192 3.746 30 20 CHED CCN(CCC#N)C(=O)[C@H](C)Sc1ccccc1Cl 103209447 YQTIOZUWENXXBI-NSHDSACASA-N 296.823 3.583 30 20 CHED C=CCN(CC=C)CC(=O)Nc1ccccc1C(C)(C)C 52869097 QDXCDTDHFUKGPL-UHFFFAOYSA-N 286.419 3.597 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)c1)c1cc(F)cc(F)c1 119970437 XVZHHRLUWOOOFI-JTQLQIEISA-N 287.265 3.754 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C1 345103385 LWCASTLYTQAXDV-VHSXEESVSA-N 262.740 3.586 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2csc(C(C)C)n2)c1 171192163 SSHUNCAGSFPAKR-UHFFFAOYSA-N 298.411 3.915 30 20 CHED C#CCCCOC(=O)C[C@@H](c1ccccc1)C(F)(F)F 103333412 QISPBRYGVXWJSP-ZDUSSCGKSA-N 284.277 3.679 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc2ccccc2c1 105271240 FZBZGLBFGSECTF-UHFFFAOYSA-N 282.387 3.947 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1F 27353939 XYJXFNNCJNOWLP-UHFFFAOYSA-N 298.361 3.724 30 20 CHED C=CCN(C(=O)CC[C@H]1CC[C@@H](C)O1)c1ccccc1 74241108 BDJIJGALBNXMOD-GDBMZVCRSA-N 273.376 3.553 30 20 CHED CC(C)(CCC#N)CNC1CCN(C2CCCCC2)CC1 177583116 SXYATATWCZEOPR-UHFFFAOYSA-N 291.483 3.703 30 20 CHED CC[C@H](C#N)OC(=O)/C=C(\C)c1ccccc1Cl 176008164 ODXSWGZFZXHQIQ-RJCSOLBVSA-N 263.724 3.589 30 20 CHED C[C@H]1[C@H](C)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 175177096 WXKYZJZCAWJSHX-OLZOCXBDSA-N 285.391 3.750 30 20 CHED C=CCCCC(=O)Nc1ccc(Oc2nccc(C)n2)cc1 177346962 CZYZCPMQUVGUDD-UHFFFAOYSA-N 297.358 3.872 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc(SC)cc2)CC1 173398156 OTIQDPFICHPHOU-CQSZACIVSA-N 290.476 3.710 30 20 CHED C=CCCCN1CCC[C@@H](CN2CCCC[C@H]2C)C1 117883841 KRGQKUJXKGYDAP-IAGOWNOFSA-N 264.457 3.539 30 20 CHED Cc1ccc2[nH]c(C(=O)N(CCC#N)CC3CC3)cc2c1C 116750844 UTUDSPRVZRPKJX-UHFFFAOYSA-N 295.386 3.551 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)[C@H](C)c1ccccc1 176480583 YLIMRARLOVDAPR-LSDHHAIUSA-N 274.408 3.786 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)c2cccc(SCC#N)c2)C1 175573174 HJPUCBKIHLEFDT-GXTWGEPZSA-N 288.416 3.611 30 20 CHED CC(=O)Nc1cccc(N[C@H](C#N)C2CCCCC2)c1C 115606016 DUGOSDWEARDRKR-QGZVFWFLSA-N 285.391 3.838 30 20 CHED N#CCCCOc1cccc(NCC2CCSCC2)c1 602487727 NUXOYIKVHVADRA-UHFFFAOYSA-N 290.432 3.924 30 20 CHED C=C(C)CSCc1cc(F)cc2c1OCOC2 171545333 FFTYRCCWNWSNBX-UHFFFAOYSA-N 254.326 3.502 30 20 CHED CC[C@H](CNc1ccc(C#N)cn1)Oc1cccc(C)c1 301582217 VCZSCYJWKSONAJ-OAHLLOKOSA-N 281.359 3.531 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 426141490 SHXTXZRHVWHEKE-ZYHUDNBSSA-N 291.782 3.912 30 20 CHED Cc1cc(NCc2cc(C#N)cs2)ccc1N(C)C 120188973 JTIDPVVSLBACTN-UHFFFAOYSA-N 271.389 3.606 30 20 CHED N#Cc1cccc(CN2CCC(OC3CCCCC3)CC2)c1 125518994 URPORCWJECDHGN-UHFFFAOYSA-N 298.430 3.872 30 20 CHED CC(C)c1ccc2c(c1)[C@H](Nc1ccc(C#N)nn1)CC2 302390980 IIVDDOUYTAQZSX-MRXNPFEDSA-N 278.359 3.571 30 20 CHED COC[C@H](NCc1ccccc1C(C)(C)C#N)c1ccco1 184623491 IUXLCTQCXUNSTH-INIZCTEOSA-N 298.386 3.558 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2coc3ccccc23)n1 73087290 CEEHXKIDJZUNAQ-LLVKDONJSA-N 282.324 3.688 30 20 CHED C[C@H](C#N)Oc1ccccc1NC[C@H]1C[C@H]2C=C[C@H]1C2 181132043 VTITYCBOAXHCCV-CBBWQLFWSA-N 268.360 3.602 30 20 CHED C=CCCCCCN(C)Cc1nccn1CC(F)(F)F 172655242 LWTCMDTZIFPTEN-UHFFFAOYSA-N 289.345 3.624 30 20 CHED CCCOc1ccc(CNc2cccc(OCC#N)c2)cc1 315745480 GUHZZMYSDQTRQW-UHFFFAOYSA-N 296.370 3.990 30 20 CHED C(#Cc1ccccc1)CN1CCC[C@H]2CCCC[C@H]21 483549449 YFRZNYAFPNSLGF-QZTJIDSGSA-N 253.389 3.693 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 410138756 HLDNWIAJDSKSJQ-WOPDTQHZSA-N 277.330 3.826 30 20 CHED Cc1cc(C#N)ccc1Cn1ccc2c([N+](=O)[O-])cccc21 318308800 NKJVETQKVGQXLY-UHFFFAOYSA-N 291.310 3.778 30 20 CHED C=CCC1(C(=O)N[C@@H](C)COc2cccc(C)c2)CCC1 189936580 GHRVSIAWQPNPHS-HNNXBMFYSA-N 287.403 3.625 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCC(=C)c1ccccc1 501541875 KSMIFDXNKBQSCS-OAHLLOKOSA-N 272.392 3.744 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](CC)Sc1ccccc1 415626390 HENOSEZVRURFPK-DZGCQCFKSA-N 290.432 3.708 30 20 CHED CCC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C 411039408 XVHOHYDRESJJGC-ZDUSSCGKSA-N 294.345 3.781 30 20 CHED C=C(C)[C@H](NCc1nccn1CC)c1ccc(F)c(F)c1 187373631 UXBQMYGZEOZYGB-INIZCTEOSA-N 291.345 3.588 30 20 CHED CC[C@@H](C#N)Sc1nc(C2CC2)n(-c2ccccc2)n1 127115970 VFLZWFJBJBBHOH-ZDUSSCGKSA-N 284.388 3.539 30 20 CHED C[C@H](CCc1cccc(F)c1)N(CCC#N)CC1CC1 183261617 BUHXISCFWMSVEJ-CQSZACIVSA-N 274.383 3.772 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)C(C)(F)F 413837810 RIEMBHATKRKRII-OCCSQVGLSA-N 296.361 3.517 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 185492897 NLSAQNJNUPHSEP-NSHDSACASA-N 292.448 3.667 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCOCC1CCC1 419202389 DJALPLKDLZFDCM-RBUKOAKNSA-N 298.430 3.575 30 20 CHED CC#CCCCC(=O)N(C)c1ccc(C(C)C)cc1 185869259 NRGUPBIPEGUSGI-UHFFFAOYSA-N 257.377 3.966 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1nc(C(C)(C)C)cs1 184454813 QRAAMKGZNAETRW-VXGBXAGGSA-N 290.436 3.535 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@@H]1CCCc2ccccc21 410827111 JXNFAFSVPCDDMT-HOTGVXAUSA-N 284.403 3.647 30 20 CHED Cc1ccc(C)c(S(=O)(=O)/N=C(\O)CC2CCCC2)c1 48518027 FPTINZCRJNYOOM-UHFFFAOYSA-N 295.404 3.529 30 20 CHED N#CCc1ccc(C(=O)Nc2cncc3ccccc23)cc1 89627809 GUPGUABEOVOGEJ-UHFFFAOYSA-N 287.322 3.553 30 20 CHED Cc1[nH]c2ccc(C/N=C(/O)[C@@H]3CCN=C(O)C3)cc2c1C 328669963 GCICCXFKYNXPGP-CYBMUJFWSA-N 299.374 3.608 30 20 CHED C=CCSCCN[C@@H](c1ccccc1)C(F)(F)F 229697406 FUIIHGLPBIGENO-LBPRGKRZSA-N 275.339 3.799 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2cccc(C#N)c2)c1 130277902 WFBLXBFAHZGCAB-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED CCOc1ccccc1NC(=O)Nc1ccc(C#N)cc1 45027135 XSMGERPRIZBQKP-UHFFFAOYSA-N 281.315 3.601 30 20 CHED Cc1csc(N=C(O)[C@H]2CCC(=O)C[C@@H]2C)c1C#N 329496774 DXCOUTNQZYCKDB-KWQFWETISA-N 276.361 3.522 30 20 CHED N#C[C@H](C(=O)CCc1ccccc1)c1nc2ccccc2o1 41546136 BYQOFMHSTMTYJA-CQSZACIVSA-N 290.322 3.637 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C)c(Cl)c1 132854329 LCCLPHCBQLKZSO-UHFFFAOYSA-N 264.756 3.573 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ncccc2CC)no1 424343924 AYAHVEULWKMEFV-UHFFFAOYSA-N 257.337 3.548 30 20 CHED CC(C)(C#N)CCCO/N=C/c1ccccc1OC(F)F 135473361 WRYVVZLHRDBLIF-VXLYETTFSA-N 296.317 3.968 30 20 CHED N#CCCN(CCc1ccccc1)Cc1ccccc1 46437885 KHCNRIAIBUOICB-UHFFFAOYSA-N 264.372 3.645 30 20 CHED OC1=N[C@H](C/C(O)=N/CC[C@H]2C[C@H]3CC[C@H]2C3)CCC1 329663178 PURHVQOCUAVOOJ-XUXIUFHCSA-N 278.396 3.668 30 20 CHED C=CCOc1cccc(NC(=O)N(CC)CC(C)C)c1 193710119 OMIZERLXDLWCRZ-UHFFFAOYSA-N 276.380 3.761 30 20 CHED N#CCOc1cccc(NC(=O)C2CCCCCCC2)c1 86579641 NSEKLFFCQJVZNQ-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccccc2SC)CC1 194886234 DZWQDPFTVRNYTB-AWEZNQCLSA-N 290.476 3.710 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)Cc1cc(C#N)n(C)c1 191210708 GKZXBISGIBMUKL-CYBMUJFWSA-N 293.370 3.836 30 20 CHED C=CC1CCN(C(=O)NCc2ccc3[nH]c(C)cc3c2)CC1 512211667 HQZXJMQNQHVZGW-UHFFFAOYSA-N 297.402 3.584 30 20 CHED CC(C)(CCC#N)CNCc1ccccc1Br 135167487 ISFNRIMLZWMESN-UHFFFAOYSA-N 295.224 3.869 30 20 CHED O/C(CCc1cnc[nH]1)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329484879 SLSQBOCUXKVXEG-MELADBBJSA-N 275.396 3.658 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 424674817 DTHYYMGCATVDBN-UHFFFAOYSA-N 295.766 3.667 30 20 CHED N#Cc1cccc(CN2CCCc3ccc(F)cc32)c1 48575187 NBPYZWWFIHXEEW-UHFFFAOYSA-N 266.319 3.650 30 20 CHED Cc1ccccc1[C@H]1CCCN1c1ncccc1C#N 48566530 AEOMSPLGJIXIGD-MRXNPFEDSA-N 263.344 3.603 30 20 CHED CC1(C)Cc2cccc(CNc3ccc(C#N)cc3)c2O1 80506823 XZQXLESGYMKYGA-UHFFFAOYSA-N 278.355 3.884 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc2c[nH]nc2c1 512039379 XJWZRDFORBRWOR-UHFFFAOYSA-N 291.398 3.794 30 20 CHED C=C1CCN(Cc2cc(C)c(Br)s2)CC1 513502576 BLPKGXJYQFCONN-UHFFFAOYSA-N 286.238 3.971 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@@H](C(C)(C)C)C1 511017157 PLFBWNKHZDQKNW-CYBMUJFWSA-N 251.414 3.873 30 20 CHED C[C@@H]1CCCC[C@@H]1/N=C(/O)Nc1ccc([N+](=O)[O-])cc1F 330868386 WGDRCMZWCIEXAT-SKDRFNHKSA-N 295.314 3.639 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1Cc1ccccc1 514189431 HUGJWQBNYPRNNK-CXAGYDPISA-N 293.326 3.510 30 20 CHED CCN(CCCCC(C)(C)C#N)CC(F)(F)F 233443253 ANNNNQLRNSYHPF-UHFFFAOYSA-N 250.308 3.591 30 20 CHED C=C(CNCc1ccc(OCCOC)cc1)c1ccccc1 337299062 PBOCXBDFLYFVKX-UHFFFAOYSA-N 297.398 3.515 30 20 CHED C#C[C@H](CC)Nc1ncc(C(F)(F)F)cc1Cl 234039073 RUHJVUOPNJJDPN-MRVPVSSYSA-N 262.662 3.578 30 20 CHED C=CC[C@H](C)NCc1ccc(Sc2ccccn2)o1 511081683 NYUKLWNXWZSOLC-LBPRGKRZSA-N 274.389 3.880 30 20 CHED COC1(CC(O)=Nc2scnc2C2CC2)CCC1 330080864 GNBZEVFLOJAUOP-UHFFFAOYSA-N 266.366 3.568 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N1CCC(CCC#N)CC1 519783751 XIPUYBVBFJIIJV-SFHVURJKSA-N 298.430 3.798 30 20 CHED Cc1cnccc1CNc1cc(C#N)ccc1OC(C)C 514776356 BKRIUGWGGZBOCN-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC(C)N(CCC#N)Cc1cc(F)cc(Br)c1 93952781 SSRAAAUZYNUBCT-UHFFFAOYSA-N 299.187 3.712 30 20 CHED Cc1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1C 336526176 WLWGPCXZLJCCCJ-UHFFFAOYSA-N 290.366 3.845 30 20 CHED C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 335583531 HSHFOYZFWRGTAX-GHMZBOCLSA-N 291.782 3.668 30 20 CHED CCCCN(C(=O)Nc1cccc(C#N)c1C)C1CC1 431701625 GPTHJQMBUNEHHN-UHFFFAOYSA-N 271.364 3.663 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccccc1)C(C)C 436301983 QIJCPWVTRKDULE-BZSNNMDCSA-N 273.420 3.955 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(CSC)c1 526084616 FOFASCACANNJAN-MRXNPFEDSA-N 293.432 3.717 30 20 CHED CC(C)(CCC#N)CNC(=O)c1csc(C(C)(C)C)n1 345992144 KCTAADZJMAIJMG-UHFFFAOYSA-N 293.436 3.500 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 247536731 XZYVHQCHSCVIHM-KEYYUXOJSA-N 299.418 3.524 30 20 CHED CC(C)[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 246421476 GABKLYOJGVQTHH-MJBXVCDLSA-N 277.751 3.535 30 20 CHED N#Cc1ccc(-c2ccc(OCC[C@H]3CCNC3)cc2)cc1 521425568 JIVFAKFRSUUIRD-MRXNPFEDSA-N 292.382 3.604 30 20 CHED CCCCc1noc(CSCCC(C)(C)C#N)n1 341915583 CZAIZCKUQHYJRL-UHFFFAOYSA-N 267.398 3.585 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@]1(C)CC 343668245 HSLWNKKUINUZID-GUYCJALGSA-N 285.391 3.755 30 20 CHED C=CCC[C@@H](NC(=O)N[C@@H](C)CC=C)c1ccccc1 435108951 QCHISDMDDRQIJG-GOEBONIOSA-N 272.392 3.958 30 20 CHED CC(C)[C@@H](C)N(Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 245501324 CMGOWEYYZGXMIQ-HUUCEWRRSA-N 286.419 3.986 30 20 CHED C=CCC[C@H](C(=O)N1CCC=C(C)C1)c1ccccc1 437981458 BXYGTHREVAQSSO-KRWDZBQOSA-N 269.388 3.915 30 20 CHED Cc1cccc(CCCN[C@H](C)c2ccc(C#N)cc2)n1 349964523 MDVLYZPFEAJBHM-OAHLLOKOSA-N 279.387 3.545 30 20 CHED C=CCNC(=O)[C@@H](C)SC[C@H](CC)CCCC 609237857 VRZKGMXLYSVEJJ-CHWSQXEVSA-N 257.443 3.627 30 20 CHED Cc1cc(=NCC(C)(C)CCC#N)c2ccccc2[nH]1 340886948 DAGCQQVZVOQZOU-UHFFFAOYSA-N 267.376 3.707 30 20 CHED CCc1ccsc1C(=O)N(C)c1ccc(C#N)cc1F 609216376 ITBYKOXKSQGVHB-UHFFFAOYSA-N 288.347 3.598 30 20 CHED COCCOc1ccc(/C=C\C(=O)C2CCCCC2)cc1 255381649 JILRJMNMYYPJRP-XFXZXTDPSA-N 288.387 3.874 30 20 CHED CCCN(Cc1ccc(OC)cc1)[C@H]1CC[C@H](C#N)C1 528740271 SMHJGBFEWSKYPQ-HOTGVXAUSA-N 272.392 3.599 30 20 CHED C=CCCC1(C(=O)NC(C2CCC2)C2CCC2)CC1 343389181 DNMRHGIZFUODBL-UHFFFAOYSA-N 261.409 3.818 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@@H](CC)c1ccc(C)cc1 609990377 KPJITDSJKMQWSA-ZBFHGGJFSA-N 272.392 3.687 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC1CCC1 342471429 VGEKNOVKIIJFCV-UHFFFAOYSA-N 289.423 3.559 30 20 CHED Cc1cc(N=Cc2cc3ccccc3nc2O)ccc1O 255376837 WXOINKWWLPWNKQ-UHFFFAOYSA-N 278.311 3.705 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1OCC(C)C 523982741 HUSYKWPDFAIWHS-ZDUSSCGKSA-N 276.380 3.808 30 20 CHED Cc1ncsc1/C=C1/Cc2cc(Cl)ccc2C1=O 255754277 IKYSBLGOUDDMLF-POHAHGRESA-N 275.760 3.927 30 20 CHED CC[C@@H](NCCOc1ccccc1F)c1ccc(C#N)cc1 447513419 WACHVVCQPOLKOY-QGZVFWFLSA-N 298.361 3.817 30 20 CHED C[C@H](SCCC(C)(C)C#N)c1nc(C2CC2)no1 341933083 SFTKCCKENZBXIZ-VIFPVBQESA-N 265.382 3.681 30 20 CHED C=CCCOCCCCC(=O)N(C)c1cc(F)ccc1F 344436971 DWSZRCOBSWBSQM-UHFFFAOYSA-N 297.345 3.691 30 20 CHED C=CCOc1cccc(NC(=O)CCc2cncc(C)c2)c1 342077447 SOGVMWRVKMDCAR-UHFFFAOYSA-N 296.370 3.526 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H](Cc2ccccc2)C1 523943736 CQZMRYGWQLAZGW-RDJZCZTQSA-N 286.419 3.615 30 20 CHED N#Cc1csc(CNC[C@H]2CSc3ccccc32)c1 449365122 OYRJIPZLGZFTQT-LBPRGKRZSA-N 286.425 3.599 30 20 CHED CC(=NOCc1ccccc1)c1nc2ccccc2n1C 254825953 AUZGIVBXNLXASH-UHFFFAOYSA-N 279.343 3.514 30 20 CHED O=C(/C=C\c1cncs1)c1cc2ccccc2o1 255048017 HEJXSDOPUFKJAF-WAYWQWQTSA-N 255.298 3.785 30 20 CHED C=C(CC)CNc1cc(Cl)ccc1NC(C)=O 358657434 SPSLUXGVJUFTEM-UHFFFAOYSA-N 252.745 3.677 30 20 CHED C=CCCC1(C(=O)NCc2ccc(Cl)s2)CC1 354425717 SAIMQGYTORQHRL-UHFFFAOYSA-N 269.797 3.764 30 20 CHED N#Cc1ccccc1/C=C/c1nc(-c2ccc(F)cc2)no1 609473865 BRQRVXMIMYWNRS-JXMROGBWSA-N 291.285 3.918 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C(CC(C)C)CC(C)C 448725862 QIGZMDRAPJHJFV-AWEZNQCLSA-N 266.429 3.703 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 265901301 UYBRMHGKYAAJIZ-KZNAEPCWSA-N 298.430 3.584 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(CC#N)cc1 444445404 CNKKIJSYYFFSHJ-UHFFFAOYSA-N 289.338 3.795 30 20 CHED C=CC[C@H]1N(C(=O)NC[C@H]2CCSC2)CCCC1(C)C 448256551 PHLKPSVSPLULAD-ZIAGYGMSSA-N 296.480 3.516 30 20 CHED C=CCC[C@H](N[C@@H](C)CN(CC)CC)c1ccco1 353513115 FAPCSGCKIYSSKE-GJZGRUSLSA-N 264.413 3.607 30 20 CHED COC1(c2noc(-c3cccc(CC#N)c3)n2)CCCCC1 351139042 GXZNULKXDLYOMU-UHFFFAOYSA-N 297.358 3.608 30 20 CHED C=CCC[C@@H](CC)NC[C@H]1CCOC2(CCC2)C1 449474174 CVPNDVLLUYRXAB-LSDHHAIUSA-N 251.414 3.670 30 20 CHED N#Cc1ccncc1N[C@@H]1CCC[C@H]1c1ccccc1 536706447 ICNIAMNUFZCKSO-JKSUJKDBSA-N 263.344 3.701 30 20 CHED Cc1noc(C)c1[C@@H](C)NCc1ccc(Cl)cc1C#N 614179249 LLFJTRULXJOMCC-SECBINFHSA-N 289.766 3.667 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(-c2ccco2)on1 352700626 UJNQPSCJYFXUAQ-UHFFFAOYSA-N 298.342 3.758 30 20 CHED COCCN(CCC(C)(C)C#N)Cc1ccc(C)cc1C 611462476 GNJYKPOQJQEKKY-UHFFFAOYSA-N 288.435 3.692 30 20 CHED N#CCCCCN1CCC(=Cc2ccccc2F)CC1 268247138 BBDXHVGITFESBN-UHFFFAOYSA-N 272.367 3.999 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 451446892 AKDRCMSCCXUODP-AZOIQLNYSA-N 296.414 3.756 30 20 CHED C=CCC[C@H](O)CNC(C)(c1ccccc1)c1ccccc1 537103851 UJHUSTIHESJFPS-IBGZPJMESA-N 295.426 3.867 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)s1)C(C)(C)C 452663298 QCQJUSMAFAGCHN-GFCCVEGCSA-N 264.394 3.564 30 20 CHED CSc1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1Cl 267178579 PSHMSPGJTZGNPU-SECBINFHSA-N 297.811 3.685 30 20 CHED CC#CCN(C)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 458391849 IIYDJIKXLSABIZ-SNVBAGLBSA-N 299.201 3.719 30 20 CHED CC#CCCCC(=O)Nc1nc2ccccc2n1C(C)C 618855433 PEYHAPBXJUTXEV-UHFFFAOYSA-N 283.375 3.749 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])cc1F 618694629 XUIRCJZLORGEMG-OAHLLOKOSA-N 297.289 3.705 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N[C@@H](C)c1cccc(C#N)c1 537308340 LMRGDMFEMNITMB-XKQJLSEDSA-N 286.419 3.803 30 20 CHED CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 267738521 OKGGJHAMGPJCQT-IUODEOHRSA-N 285.391 3.798 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](c1ncccc1C)C(C)C 454509530 GDMYVWZQARJZNK-CQSZACIVSA-N 289.423 3.599 30 20 CHED COc1ccc(-c2ccccc2C)cc1CNCCC#N 459511612 IZISNJCQXKWIIA-UHFFFAOYSA-N 280.371 3.674 30 20 CHED C=CCC[C@H](NC(=O)[C@H](C)[C@H](C)COC)c1ccccc1 360373232 DGLIRPYKBAJXHS-INMHGKMJSA-N 289.419 3.729 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CC(O)(CCC)CCC)C1 617782696 KSXBYYYFXXVMDY-OAHLLOKOSA-N 281.440 3.523 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H](c1ccccc1)C1CCC1 458279738 SEINUGDXUNRUHO-INIZCTEOSA-N 299.418 3.767 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 454369872 PGDDZQUGMDFRBT-UHFFFAOYSA-N 284.281 3.501 30 20 CHED COc1ccc(F)cc1CNc1cccc(C#N)c1C 360965665 HZWKGEVOIVDXKY-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCN(C(=O)[C@H](C)C1CCC1)[C@H](C)c1ccc(C#N)cc1 457472530 QRAKQNBMWDIMIU-ZIAGYGMSSA-N 284.403 3.904 30 20 CHED C=CCCCNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 614211060 YPBSHNXMIMSEEM-IRXDYDNUSA-N 271.404 3.728 30 20 CHED Cc1nc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cs1 272267938 MUFDGQVRCZBCCJ-NSHDSACASA-N 283.400 3.663 30 20 CHED Cc1ccc(OC(F)F)c(CNCC(C)(C)CC#N)c1 459732053 OGKANSIUKFGICC-UHFFFAOYSA-N 282.334 3.626 30 20 CHED CC12CC3(C)CC(C)(C1)CC(C(=O)NC(C)(C)C#N)(C2)C3 548192484 ZHCHAJJMIVPECC-UHFFFAOYSA-N 288.435 3.791 30 20 CHED CCCCCCCC(=O)N[C@@H](c1ncc[nH]1)C(C)C 276594766 KUDCQWHGYKEKSD-CQSZACIVSA-N 265.401 3.584 30 20 CHED C=C[C@@H](C)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 362613315 KBSZIJYUQXVAPY-MRVPVSSYSA-N 280.780 3.701 30 20 CHED Cc1cccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)c1 279545833 AXLGFZXTCRBCJP-UHFFFAOYSA-N 292.382 3.726 30 20 CHED C=CCOc1ccccc1CN[C@H](CC)c1ccncc1 453110082 NUVLSITYFSEHIO-QGZVFWFLSA-N 282.387 3.887 30 20 CHED Cc1nnc(CS[C@@H](C)c2cccc(C#N)c2)s1 276138684 BSIMESMLCQIPQJ-VIFPVBQESA-N 275.402 3.713 30 20 CHED C=CCCC1(C(=O)NC2CCC(C(F)F)CC2)CC1 458178160 JFTRSTSUVOSUBS-UHFFFAOYSA-N 271.351 3.673 30 20 CHED C#CC[C@H](NC(=O)C=C(C1CC1)C1CC1)c1ccccc1 270409980 DMXUPCJVPJSKBD-SFHVURJKSA-N 279.383 3.614 30 20 CHED C[C@H]1CCC[C@@H](C)CN1c1ncc(C#N)cc1Cl 361093635 BLLCXBHJFMXTOB-MNOVXSKESA-N 263.772 3.622 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCSc2ccccc21 453368525 UKNRKQNIKZXMEY-KFWWJZLASA-N 275.417 3.547 30 20 CHED C[C@H](CCc1ccco1)N[C@H](C)c1ccc(C#N)c(F)c1 271969654 WLZGPBKMQBDLTC-CHWSQXEVSA-N 286.350 3.962 30 20 CHED CC[C@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)s1 273521725 QRGMVWSQLQPONG-QWRGUYRKSA-N 281.812 3.886 30 20 CHED CCOc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 271969408 UFXMCOURDWAAAY-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 276479482 YOLNVPMWBZVQAE-UONOGXRCSA-N 297.320 3.843 30 20 CHED CC#CCCCC(=O)Nc1cccc2c1CN(CCC)C2 274325660 HLZKJCAHVAFYMC-UHFFFAOYSA-N 284.403 3.544 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1cc2ccccc2o1 464170509 XGASGNAHNWAMHU-XIKOKIGWSA-N 298.386 3.981 30 20 CHED CCN(Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 551707285 BDZZDJWZVFEZMT-UHFFFAOYSA-N 294.345 3.924 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)C(=O)c1cccc(F)c1 281581361 BNUQEPIYEBCEKS-SWLSCSKDSA-N 291.366 3.506 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCC2(CCCCC2)C1 469414713 VEOLTLCYFDWHRX-HZPDHXFCSA-N 291.435 3.541 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@H]1CCC[C@@H]1CCC(C)C 555819979 FUISWMLYQSDSPA-CVEARBPZSA-N 299.418 3.596 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CC12CCCC2 468795958 CIDDIWVRICGQDQ-CQSZACIVSA-N 297.402 3.899 30 20 CHED C[C@]1(CN[C@H]2CCC[C@@H](C#N)C2)CCCc2ccccc21 463236525 LGGKTOYMHNARMR-HHXXYDBFSA-N 282.431 3.953 30 20 CHED CCC[C@@H]1CCCN(c2c(C#N)nnc3ccccc23)C1 466831123 LDZNBALAYPPCLL-CYBMUJFWSA-N 280.375 3.518 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1CCCc2ccccc21 466525571 GXUZSRKVMTWBTN-HOCLYGCPSA-N 257.377 3.577 30 20 CHED C=CC[C@H](C)NC(=O)NCCC1=CCCCCC1 464125035 ALCVBGLBHUOREL-ZDUSSCGKSA-N 250.386 3.531 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2nc(C)oc2c1 281156387 BHILWMIFQMBLTO-LLVKDONJSA-N 273.336 3.612 30 20 CHED Cc1ccc([C@@H]2CCN(CCCSCC#N)C2)c(C)c1 280470764 OYZBLWJGPMNUPO-MRXNPFEDSA-N 288.460 3.740 30 20 CHED CC1(C)CCC[C@@H](C(=O)N2CCc3ccc(C#N)cc32)C1 550520551 PQUZUTKQAJBORS-OAHLLOKOSA-N 282.387 3.664 30 20 CHED C=CCCCCNC(=O)c1scnc1C(C)(C)C 471708217 BAGSKCCUWUNQNV-UHFFFAOYSA-N 266.410 3.527 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 470289054 RLKRSUPUCXNQNO-GJZGRUSLSA-N 266.429 3.809 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(F)c1Cl)OCC 290254312 YDSXQGSPPZAEFA-GFCCVEGCSA-N 285.746 3.789 30 20 CHED C=CCOCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 293699980 CRRHQTFEBWTTKZ-ZDUSSCGKSA-N 291.288 3.611 30 20 CHED N#Cc1nc(F)ccc1OCc1ccc(C(F)(F)F)cc1 808046059 GYLHRYWWCUETMV-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C=C(C)[C@@H](Nc1cccc(C#N)n1)c1ccc(F)c(F)c1 475726384 SUWQDTYXDRNAPW-MRXNPFEDSA-N 285.297 3.961 30 20 CHED C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(C#N)cc1 295771412 AGXOLZNSWYLPTQ-MLGOLLRUSA-N 278.355 3.602 30 20 CHED CCc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2C)o1 807990528 HENHRRXLRRFBFI-UHFFFAOYSA-N 287.319 3.895 30 20 CHED C#C[C@H](CC)NCc1ccc(Oc2cccnc2)c(C)c1 809686144 SPBKAHIICSOUFR-MRXNPFEDSA-N 280.371 3.684 30 20 CHED C=CCN(Cc1cccc(O)c1OC)c1ccccc1 475141145 VCQABQWIFQQMCM-UHFFFAOYSA-N 269.344 3.593 30 20 CHED CC(=NNc1nccnc1Cl)c1c(F)cccc1Cl 807971244 NXOGXDIWMQFTAH-UHFFFAOYSA-N 299.136 3.759 30 20 CHED C#CCCOc1ccc(CN[C@H](C2CC2)C(F)(F)F)cc1 808438812 OGSRAEBIUSNYBQ-OAHLLOKOSA-N 297.320 3.519 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1cccc(OC(F)F)c1 299697096 OMAWZGUQHIVUQO-GHMZBOCLSA-N 268.307 3.631 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 295309049 KLVXJQIYQHSAQM-DJIMGWMZSA-N 284.403 3.974 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1-c1ccccc1 806118765 LLIWFUCONREJHX-HNNXBMFYSA-N 278.355 3.887 30 20 CHED CCc1c(C)sc(NC(=O)[C@]23CCC[C@@H]2C3)c1C#N 563950103 HEMBXDJENOSZGB-BMIGLBTASA-N 274.389 3.619 30 20 CHED C=CCCN(C)C(=O)NCCc1cc2ccccc2s1 297923050 ZJTSERJRWRJZQC-UHFFFAOYSA-N 288.416 3.661 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc(C(CC)CC)no1 292876691 SHXGAAQPWRMLFK-UHFFFAOYSA-N 278.396 3.797 30 20 CHED CC(C)(C#N)c1nc(-c2ccc3ccccc3c2)no1 562901393 QFOCOYQEQUDDRD-UHFFFAOYSA-N 263.300 3.691 30 20 CHED C=CC[C@@H](C(=O)Nc1nc(CCC)co1)c1ccccc1 569136356 AHDQOXXCTCMWSZ-OAHLLOKOSA-N 284.359 3.926 30 20 CHED CN(Cc1ccc(C#N)s1)c1ccc2cc[nH]c2c1 475337409 VLBBAEBARNQKSF-UHFFFAOYSA-N 267.357 3.737 30 20 CHED C=C(C)COCCNC(=O)N(CC(C)(C)C)CC(C)(C)C 561144690 VSVDMQPFLQHWFS-UHFFFAOYSA-N 298.471 3.683 30 20 CHED C=C(CN[C@H](c1nnc[nH]1)C1CCCCC1)c1ccccc1 292197825 PKGJKTRTEOGODP-KRWDZBQOSA-N 296.418 3.729 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)[C@]1(C#N)CC12CCCC2 297905638 SBPJYLNDCZRCLG-LJQANCHMSA-N 294.398 3.748 30 20 CHED COc1ccc(C=NN[C@@H]2CCCC2(C)C)c(C)c1OC 807984497 AJEGLLFKHXWYAN-OAHLLOKOSA-N 290.407 3.514 30 20 CHED C=CCCCCS(=O)(=O)[C@H](C)c1ccccc1 567588493 IMWFSKILPGYVKI-CYBMUJFWSA-N 252.379 3.519 30 20 CHED CCON=C1CCCc2sc(Br)cc21 814788082 BDTASFMVGIPZHS-UHFFFAOYSA-N 274.183 3.588 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CC)C1CCCCC1 815225242 YOIURLDLRWIXPA-LBPRGKRZSA-N 259.340 3.673 30 20 CHED CCCCCCCCCNC(=O)[C@H]1CCc2cccnc21 819840738 XDBMYEHLSZGLPY-INIZCTEOSA-N 288.435 3.978 30 20 CHED Cc1cc(C=NNc2ccc(F)c(F)c2F)c(C)n1C 814946339 KHKHYOUVJXNBOT-UHFFFAOYSA-N 281.281 3.505 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1nc2c(s1)CCCC2 485592763 QXHGXQAPILXFEF-NSHDSACASA-N 291.420 3.594 30 20 CHED C=C[C@H]1CCCCN1C(=O)C/C=C/c1ccccc1F 488872822 BGDCWQHFOSYQFI-HEWZJLJBSA-N 273.351 3.796 30 20 CHED C=CCC(F)(F)C(=O)OCCCOc1ccccc1C 815311231 CJZVMAXNFVWWKD-UHFFFAOYSA-N 284.302 3.519 30 20 CHED C#C[C@H](NC(=O)CCC(C)(C)C)c1ccc(Cl)cc1 811947849 QXGQXRVYRMGXPB-AWEZNQCLSA-N 277.795 3.957 30 20 CHED C=CC(C)(C)CNC(=O)N1CC(C)(C)[C@H]1c1ccccc1 653091612 NNADUHGORRDPSQ-OAHLLOKOSA-N 286.419 3.991 30 20 CHED C=CC(C)(C)CNCc1cn(-c2ccccc2F)nc1C 655778542 OXRAWQRNERKWQO-UHFFFAOYSA-N 287.382 3.622 30 20 CHED N#CC1CCN(CCc2cc(Cl)ccc2Cl)CC1 486653702 GDGAMXPUQFWMDL-UHFFFAOYSA-N 283.202 3.771 30 20 CHED COCCC(C)=NNc1ccc(Br)c(C)c1 814816492 OZQRKTANCNFWNG-UHFFFAOYSA-N 285.185 3.582 30 20 CHED Cc1ccc(-c2nc(-c3ccc(F)cc3F)no2)cc1C#N 815701905 GHLCLMLSCHHETP-UHFFFAOYSA-N 297.264 3.862 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1OC 481186434 GBRWFJNZSVAKDV-GOEBONIOSA-N 272.392 3.625 30 20 CHED C=CCC1(NC(=O)Cc2ccc3n[nH]cc3c2)CCCCC1 570657692 YGJDJZUAGOVMCP-UHFFFAOYSA-N 297.402 3.501 30 20 CHED C=C[C@H]1CCCCN1Cc1ncccc1C(F)(F)F 489504180 ZZNAAQVISDSQJG-NSHDSACASA-N 270.298 3.641 30 20 CHED C=C(C)CNC(=O)NC1CCC(c2ccccc2)CC1 488560567 PKPLHTASENTRNM-UHFFFAOYSA-N 272.392 3.588 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cscn1 571741949 KZCCFPNHXVOLAZ-DZGCQCFKSA-N 272.417 3.981 30 20 CHED C[C@@H](NN=C1CCC(C(F)(F)F)CC1)c1ccncc1 819817243 YVKAFHKVNZHYHK-RWANSRKNSA-N 285.313 3.841 30 20 CHED C[C@H](Cc1ccco1)NCc1cccc(OCCCC#N)c1 726797015 RZJBRFVRJMHTNJ-OAHLLOKOSA-N 298.386 3.683 30 20 CHED N#Cc1cccc(/C=C/c2nc(C3CCSCC3)no2)c1 579071921 NVKXFKWMSYRNBH-SNAWJCMRSA-N 297.383 3.722 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ncc2cc(C#N)ccc2n1 483807012 LZCOXUDSRQZRQK-KRWDZBQOSA-N 296.374 3.656 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cccc(F)c1C#N 811689001 VCJYKQNYJUBNHT-CLFYSBASSA-N 295.313 3.911 30 20 CHED Cc1ccccc1C(=O)N[C@](C)(C#N)C1CCCCC1 576731065 CXQWCODHARKDDQ-QGZVFWFLSA-N 270.376 3.587 30 20 CHED C=CCCCCOC(=O)CCCc1cccs1 811010001 FKHHDLOJKNXDEH-UHFFFAOYSA-N 252.379 3.970 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccccc1Cl 811877952 DBXNOQKTJLCLRO-UHFFFAOYSA-N 269.731 3.503 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2scnc2C)n1 572385263 DATZPIGYGPAJFL-SREVYHEPSA-N 275.377 3.859 30 20 CHED N#Cc1cccc(/C=C\c2nc(C3CCSCC3)no2)c1 579071920 NVKXFKWMSYRNBH-PLNGDYQASA-N 297.383 3.722 30 20 CHED CC#CCN(C)Cc1c(-c2ccccc2)nc2sccn12 815285001 VRAYLVRDYXTFOC-UHFFFAOYSA-N 295.411 3.518 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(CC)CCCC#N 483936556 AELLTXPZOQOHTD-KRWDZBQOSA-N 258.409 3.942 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)OCC(C)(C)CCC#N 820966842 WYXVHGPFIXMRFN-STQMWFEESA-N 251.370 3.686 30 20 CHED Nc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cn1 821030715 BFRDAEZXRMELIN-DAFODLJHSA-N 298.729 3.960 30 20 CHED CC(=NNCCCOc1ccccc1)c1ccc(C)s1 729148053 REUCLYXZEBSDSC-UHFFFAOYSA-N 288.416 3.839 30 20 CHED N#CCC[C@@H](C#N)CN[C@H](c1ccccc1)C1CCCC1 574475540 UGGVIWTVYPBSDH-MAUKXSAKSA-N 281.403 3.951 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1ccc(F)cc1F 576978078 VZQXUAVQJSNXHK-JQWIXIFHSA-N 282.334 3.680 30 20 CHED C=CCC[C@@H](C)N[C@H](COC)c1ccc(Cl)cc1 494510352 FJSBXNKGPJSEKD-IUODEOHRSA-N 267.800 3.972 30 20 CHED C=CCN(C)Cc1cccc(OCc2ccccc2)c1 494652465 IKXOLSHEXBOPKS-UHFFFAOYSA-N 267.372 3.883 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)Cc1ccc(C)s1 495244133 QISDRFVXEUVFSD-OCCSQVGLSA-N 292.448 3.738 30 20 CHED C#CCCCCCc1nc([C@@H](OCC)C(C)C)no1 904122259 YNGLITLXCYAXRJ-AWEZNQCLSA-N 264.369 3.539 30 20 CHED C=CCC1(C(=O)NOCCC(F)(F)F)CCCCC1 829058808 MLKVNNOFGZOCOO-UHFFFAOYSA-N 279.302 3.513 30 20 CHED C=CCCCCCn1cnc(Cc2ccccc2)n1 664109364 HYZYQGSHJQSYGF-UHFFFAOYSA-N 255.365 3.615 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@H](c3ccccc3)C[C@H]2C)n1 583773930 RSVHQMFAHUBLAX-NVXWUHKLSA-N 291.398 3.953 30 20 CHED C=CC(C)(C)CC(=O)N1CCn2c(Cl)ccc2[C@H]1C 908232919 IZHCBLMYVQILPX-LLVKDONJSA-N 280.799 3.647 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1ccccc1 663402055 GNTFFMHMUAAJNC-CYBMUJFWSA-N 260.381 3.792 30 20 CHED N#Cc1cc(N[C@@H]2CCCC[C@H]2Cc2ccccc2)ncn1 582942144 AWUIKIPCZIRFNK-DOTOQJQBSA-N 292.386 3.562 30 20 CHED C[C@@H](ON=Cc1cccs1)c1ccc(C#N)cc1 588614598 UNJAFKKYIZQABU-LLVKDONJSA-N 256.330 3.731 30 20 CHED CCOc1cc(NC(=O)CCCCCC#N)ccc1OC 588151845 DMIBITLYDODBMA-UHFFFAOYSA-N 290.363 3.506 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)[C@H](C)CCC 581457090 GZPZHLWFQPTJFG-CYBMUJFWSA-N 276.428 3.747 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)c2nc(C)cs2)c1 825980324 YSYCJYKIYFNUIY-CYBMUJFWSA-N 298.411 3.589 30 20 CHED N#CC1(CCCCOC(=O)C2(F)CCCC2)CCC1 909190519 NMXSPTGLIZVPPY-UHFFFAOYSA-N 267.344 3.676 30 20 CHED CCc1onc(C)c1C=NNc1c(C)cccc1Cl 901248681 GMSMLZLOPTXCDG-UHFFFAOYSA-N 277.755 3.953 30 20 CHED CC(C)COc1ccccc1C(=O)Oc1ccc(C#N)cc1 731322605 IKDMZYGRLLQNHT-UHFFFAOYSA-N 295.338 3.812 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 491494221 BGGBQQSWQGJYIY-MRVPVSSYSA-N 295.169 3.568 30 20 CHED CC(C)n1cncc1/C=C1/CCc2c(F)cccc2C1=O 901543710 KESFTXAWPRXUAK-WQLSENKSSA-N 284.334 3.816 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1cccc(C#N)c1 902843293 NTJPYIXPURVNNG-WNRNVDISSA-N 284.403 3.557 30 20 CHED O=C(/C=C\c1cncc(Br)c1)c1ccsc1 588476721 ATIAJSVVPYUOLN-UPHRSURJSA-N 294.173 3.802 30 20 CHED O=C1/C(=C\c2cc(Cl)cs2)Cc2cc(O)ccc21 588601207 NQFNGWAUMKOBQX-UITAMQMPSA-N 276.744 3.930 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(C#N)ccc1F 830499507 XCDHZBKLHNPOEM-BLLLJJGKSA-N 288.366 3.738 30 20 CHED C=C(C)CCc1noc(-c2cc3ccccc3n2CC#N)n1 586756918 IJEJDQNPHQTYOR-UHFFFAOYSA-N 292.342 3.724 30 20 CHED N#CCc1cccc(C(=O)OC[C@@H]2CCCCC2(F)F)c1 835641137 GTEBMUWFMFPRMD-AWEZNQCLSA-N 293.313 3.735 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1cccnn1 735974592 GNTYVUIAPUITOL-UHFFFAOYSA-N 268.364 3.632 30 20 CHED C=CCN(C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])C(C)C 839244291 DYIWNSWYMJPZHR-UHFFFAOYSA-N 296.754 3.593 30 20 CHED C=C(Cl)CNC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 737037401 MPLXBYDEPYJOFF-CYBMUJFWSA-N 298.789 3.965 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1OCC 675933717 NSRZQTGEAWOOQM-MNOVXSKESA-N 253.773 3.964 30 20 CHED COC(=O)c1ccc(NN=C2CC[C@@H]2C2CCC2)cc1F 835017822 AZDYACGGOIYSKE-GFCCVEGCSA-N 290.338 3.590 30 20 CHED Cc1cc(C)cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 839044320 PVMMUTPOTQVUHJ-UKRRQHHQSA-N 257.333 3.543 30 20 CHED Cc1ccc2oc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)cc2c1 839047957 KCCCTCIAWMUOQP-GXTWGEPZSA-N 283.327 3.980 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@@H](C)Sc2ccccc21 839303862 PRBBJAPCWLYWJY-SNVBAGLBSA-N 283.343 3.725 30 20 CHED C/C(=C\C(=O)Nc1sccc1C#N)c1ccccc1 917562384 PJCLOZAJSHSNFG-PKNBQFBNSA-N 268.341 3.662 30 20 CHED C=C1CCN(C(=O)CCc2ccc(C(C)C)cc2)CC1 591091527 UFZRUCROPIIOTL-UHFFFAOYSA-N 271.404 3.921 30 20 CHED N#Cc1cccc(OCCN2CC[C@@H]2c2ccc(F)cc2)c1 595704350 PTFYFOWBWAKVKV-GOSISDBHSA-N 296.345 3.523 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc([S@](C)=O)cc1 746366597 PXPWQMVCZHMJBA-FQEVSTJZSA-N 286.400 3.569 30 20 CHED CCCOCc1ccccc1C/N=C/c1ccccc1O 915980980 IRFAMXNQORETRN-CPNJWEJPSA-N 283.371 3.938 30 20 CHED C=C[C@@H](C)NC(=O)c1cnc(-c2ccc(C)cc2C)s1 674952615 LLWLJYLKPISYGB-GFCCVEGCSA-N 286.400 3.731 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)c2cccc(OC)c2)c1 918030092 MHVVAVZDVWURRJ-ZDUSSCGKSA-N 294.354 3.559 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C(C)=C/c1ccco1 846913482 SEVGDIDOHLHEBR-ACCUITESSA-N 274.364 3.662 30 20 CHED Cc1ccc2c(C=NNc3ccc([N+](=O)[O-])cc3)c[nH]c2c1 917529344 MZFGQKMOAYGPFY-UHFFFAOYSA-N 294.314 3.831 30 20 CHED Cc1cc(C#N)ccc1N1CC[C@@H](C(F)(F)F)[C@@H]1C 846756365 XRAZDJARUKMTFK-CMPLNLGQSA-N 268.282 3.644 30 20 CHED CC(C)c1cccc(NC[C@H](O)CC(C)(C)C#N)c1 598726382 SAXQIIAGQZBMMG-OAHLLOKOSA-N 260.381 3.523 30 20 CHED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 915352287 JKXJXPDAUBULKQ-KRWDZBQOSA-N 291.354 3.626 30 20 CHED N#Cc1ccc(F)c(CNC/C=C\c2ccc(F)cc2)c1 747912140 UKFAOPFARMOENE-UPHRSURJSA-N 284.309 3.639 30 20 CHED CC/C(C)=C\C(=O)N(CC#N)c1ccc(Cl)cc1 843611670 RAAALTSZCSZWBU-KHPPLWFESA-N 262.740 3.553 30 20 CHED Oc1cccc(C=NNc2cccc3c2CCCC3)c1 917552247 DKEXWFUEWKISPK-UHFFFAOYSA-N 266.344 3.717 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 593680885 DLVIORNNYVHQCT-GMOODISLSA-N 297.185 3.515 30 20 CHED Clc1ccc(NN=Cc2cc[nH]c2)cc1Cl 745202037 MEWKPXYLWOFVRD-UHFFFAOYSA-N 254.120 3.768 30 20 CHED C[C@H](CNCC(C)(C)CCC#N)c1cccc(F)c1 742368886 KPOWVDRAPIRSOQ-CYBMUJFWSA-N 262.372 3.849 30 20 CHED Cc1ccc(O[C@H](C)C/N=C\c2ccccc2O)cc1 743042338 JCPQAOMFGPTTAX-IIMQCXAKSA-N 269.344 3.587 30 20 CHED CCCCCCCCCOC(=O)c1cc(C)nn1C 919584646 ITXVDJNKRARZCQ-UHFFFAOYSA-N 266.385 3.636 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cnc2c(C)cccn12 741468082 SSYKRWVNTMNVOC-WAYWQWQTSA-N 282.368 3.909 30 20 CHED CCCN(Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C 848924279 ZUABGLSCNLTAQT-AWEZNQCLSA-N 260.381 3.598 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)c1 746349218 UFXAVNYGOUOFRG-MDZDMXLPSA-N 299.333 3.640 30 20 CHED CCN(CCC#N)CCSc1cccc(Cl)c1 595331841 FKMRMFLOSVWWBL-UHFFFAOYSA-N 268.813 3.668 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1 598123164 FZLHOBSNCWRQPB-MRVPVSSYSA-N 283.158 3.510 30 20 CHED FC(F)(F)c1ccc(NN=C[C@H]2CC=CCC2)nc1 915918016 XYWAAUOGAIKMCD-JTQLQIEISA-N 269.270 3.854 30 20 CHED N#CC1(CC(=O)N2CC(C3CCCCC3)C2)CCCCC1 597697921 ILZGQOVAKXUSPG-UHFFFAOYSA-N 288.435 3.889 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1cc(C)c(C)cc1C 916287496 AHQDDUIREQULLA-UHFFFAOYSA-N 288.782 3.891 30 20 CHED C[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCCC1 591315874 KLMHWWODFUUICL-SCLBCKFNSA-N 296.414 3.878 30 20 CHED C=CCN(C(=O)Nc1ccccc1OC(F)F)C(C)C 916707165 JGAQBNNHKHPFGU-UHFFFAOYSA-N 284.306 3.716 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1ncccn1 841620535 ZXJZKMNCIYEZTJ-ZDUSSCGKSA-N 282.391 3.675 30 20 CHED CCn1cc(CCON=C(C)c2cc3ccccc3o2)cn1 842017318 LTQJCZPJXWCJNU-UHFFFAOYSA-N 297.358 3.633 30 20 CHED C#C[C@@H](OC(=O)[C@H](CC)OC1CCCC1)c1ccccc1 842389261 DIJHBECKHRWYGK-SJORKVTESA-N 286.371 3.642 30 20 CHED CC#CCOC(=O)C(C)(C)CCCc1ccccc1 745014156 CPZZGAKWAFPGMO-UHFFFAOYSA-N 258.361 3.602 30 20 CHED CC(C)Oc1ccccc1C=NNc1ccc(Cl)nc1 743450319 PCYUUVNGWVAHLC-UHFFFAOYSA-N 289.766 3.968 30 20 CHED C[C@H](OC(=O)[C@@H](C)C(C)(C)C)c1ccc(C#N)cc1 748680808 XDAJMXQFYUHRGR-NEPJUHHUSA-N 259.349 3.845 30 20 CHED C=C(C)CNC(=N)NCc1cccc(-c2cccc(C)c2)c1 849072876 OIMNYOLDKCERBV-UHFFFAOYSA-N 293.414 3.852 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(F)cc2)c1C 920927665 GTSIUFYTGRTXMF-YFHOEESVSA-N 272.323 3.555 30 20 CHED CC(C)c1cccc(C(=O)O[C@@H](C)C(C)(C)C#N)c1 850905868 CIGGWYYIVGFTDX-LBPRGKRZSA-N 259.349 3.905 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC(C)(C)CC(F)(F)F 681985847 QGCHUGJCNZLZIS-SNVBAGLBSA-N 280.334 3.761 30 20 CHED CCCCCCCCNC(=O)N(CC)Cc1ccccn1 754867195 ZYFKZDOVJDOMLH-UHFFFAOYSA-N 291.439 3.974 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1C(=O)OCCC1CC1 757899547 UWZUFWVKWKLCIL-UHFFFAOYSA-N 283.249 3.534 30 20 CHED C=CCOc1cccc(NC(=O)[C@H]2Cc3ccc(F)cc32)c1 684406561 FCSCJSBKTIEYIB-KRWDZBQOSA-N 297.329 3.669 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)[C@@H](c1ccccc1)N(C)C 926197517 ZHYJTTKNDPSYQP-INMHGKMJSA-N 287.451 3.596 30 20 CHED CC(C)C#CC(=O)Nc1ccc(Cl)c(Cl)c1 854126772 BXBNNRWGIVZFNT-UHFFFAOYSA-N 256.132 3.591 30 20 CHED FC(F)SCc1ccc(C=NO[C@@H]2CCCCO2)o1 755813051 BEERMMVULUAQKA-LLVKDONJSA-N 291.319 3.613 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccc(C)c(C)c1 758577731 OFEFPGVBEFTMHI-KRWDZBQOSA-N 276.376 3.575 30 20 CHED C#CC(=O)N[C@@H](CCC)c1ccc(Cl)c(Cl)c1 753983366 YBPJTQQROWQTEC-LBPRGKRZSA-N 270.159 3.584 30 20 CHED C#C[C@H](CC)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 754378984 FIUOSVCQINIASQ-BXUZGUMPSA-N 297.320 3.727 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc2ccn(C)c12 926255610 OEOTZOZJULARFM-LBPRGKRZSA-N 255.365 3.919 30 20 CHED Fc1ccccc1C=NOC/C=C\c1ccccc1 852146206 ILFPDHHPQSQJBC-FCBMYGLWSA-N 255.292 3.890 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(OC)no1 926591411 LJIOUVRDRUVSSX-DZGCQCFKSA-N 286.375 3.521 30 20 CHED Cc1cc(N2CCC[C@@H](CC#N)C2)c(Cl)cc1[N+](=O)[O-] 853761283 NLGZTDIHGCGGHR-NSHDSACASA-N 293.754 3.687 30 20 CHED CC1(C)/C(=C\c2ccc(C(=O)O)cc2)C(=O)c2ccccc21 920069831 CSMFHNDKGCXJBO-WJDWOHSUSA-N 292.334 3.942 30 20 CHED CCCCCCCCCN(C)Cc1noc2c1COCC2 929329518 LFLQPNIWSPYZTJ-UHFFFAOYSA-N 294.439 3.930 30 20 CHED CCC(Cc1ccc(C(F)(F)F)cc1)=NOCCOC 853315545 VXVLWGRPQTXOGX-UHFFFAOYSA-N 289.297 3.677 30 20 CHED CC[C@H](C#N)OC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 753422520 XOYVCCLIBYMZTH-AORWBKJGSA-N 297.276 3.954 30 20 CHED C#C[C@@H](CC)NC(=O)N(CC)C[C@H](CC)c1ccccc1 753244095 WXUGXHARQWJPES-RDJZCZTQSA-N 286.419 3.624 30 20 CHED COc1ccc(O)c(C=Nc2ccc3c(c2)CCCN3C)c1 920755590 NCKAKCMGRFIELD-UHFFFAOYSA-N 296.370 3.534 30 20 CHED C(=NO[C@H]1CCCCO1)c1csc(-c2ccsc2)n1 755813686 HIAMDBJVNQPDQK-LBPRGKRZSA-N 294.401 3.749 30 20 CHED C=C[C@H](C)NC(=S)Nc1c(C)cc(C)cc1Cl 756795116 GRWZZVGOVLABGQ-JTQLQIEISA-N 268.813 3.818 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(OCC)cc1 758382063 WCGWPDHEUREZOX-UHFFFAOYSA-N 260.333 3.759 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)Cc1ccccc1)c1ccccc1 757598959 LOSNTUQJDNVKIY-LPHOPBHVSA-N 291.394 3.746 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnn(CCCC)c1C 935000823 MIFTVOVFFWDWJJ-ZDUSSCGKSA-N 263.385 3.532 30 20 CHED Cc1ccc(C)c(SCC(=O)OCC2(C#N)CCC2)c1 768098683 DGVVIZAXZQCENY-UHFFFAOYSA-N 289.400 3.633 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C(F)F)cc1 933110580 MIIUMOADFFVQDR-VIFPVBQESA-N 254.280 3.710 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(Cl)c2occc12 935399867 OGAQCSFVZWZETR-VIFPVBQESA-N 276.723 3.508 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccsc1C(F)F 935698345 PLEKCHWUAKMVDK-SECBINFHSA-N 271.332 3.866 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1occc1C 767785913 SHMXYBVWIFCWOS-UHFFFAOYSA-N 283.253 3.838 30 20 CHED C#CCN(Cc1ccc(Cl)o1)C1CCCCC1 769145641 LFVYGDFHHPNLOW-UHFFFAOYSA-N 251.757 3.701 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1cnn(C)c1 763178974 FZCURMMZGJMJHG-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C#CC[C@@H](CCOC)NC1CC(c2cccc(Cl)c2)C1 862547390 DMAVYLQXERDTSS-WIHSUSGWSA-N 291.822 3.604 30 20 CHED C=CCN(Cc1c[nH]nc1-c1ccccc1F)C(C)C 768547399 KYLVWZVSQRWCRN-UHFFFAOYSA-N 273.355 3.612 30 20 CHED C#CCN(C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C1CC1 763800301 PSWPDYUMPBNRCA-OAHLLOKOSA-N 299.414 3.510 30 20 CHED C=C(C)C[C@H](NCC1CCC(CCC)CC1)C(=O)O 864530354 WNWMAIZVCIASKB-NRXISQOPSA-N 267.413 3.602 30 20 CHED C#CCCCN1CCc2c(ccc(Cl)c2Cl)C1 766894318 DOZVPPSHVZDSPH-UHFFFAOYSA-N 268.187 3.765 30 20 CHED CC(C)[C@@H]1CCCCC1=NNc1nc(-c2ccncc2)no1 764690252 LZDCJCMPCFMMTR-ZDUSSCGKSA-N 299.378 3.746 30 20 CHED CCc1ccsc1C(=O)Oc1ccc(C#N)cc1F 769738998 YXXHKBVRYJAPOI-UHFFFAOYSA-N 275.304 3.540 30 20 CHED CC(C)Nc1nnc(S[C@@H](C#N)c2ccccc2)s1 1118405655 KZOHEABEPMYABF-NSHDSACASA-N 290.417 3.715 30 20 CHED CCCCCCCSc1nc(O)cc(CC)n1 767057078 CRDICXZMKZNBTD-UHFFFAOYSA-N 254.399 3.807 30 20 CHED C=CC[C@@H](NCc1ncc(Cl)s1)c1ccncc1 769915006 UFPRFBYLFXXAGY-LLVKDONJSA-N 279.796 3.599 30 20 CHED C=CCOc1ccc(COC(=O)[C@@H]2CCCCS2)cc1 763639236 CLFDUDODVQQYOV-HNNXBMFYSA-N 292.400 3.580 30 20 CHED c1nc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c2sccc2n1 764840704 JUOCIUQGLJKTHM-RHYQMDGZSA-N 298.415 3.915 30 20 CHED C=CC[C@H](NC(=O)[C@@H](F)c1ccccc1)c1ccncc1 769375285 KOOMVBADLVMFHV-HOTGVXAUSA-N 284.334 3.526 30 20 CHED CC[C@@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)C1 1162120242 KQNAFPFDXJKACV-CYBMUJFWSA-N 271.408 3.877 30 20 CHED C#CCCCCC(=O)Nc1ccc2c(c1)CC(C)(C)O2 773315747 XZEHZIFMTBJLMZ-UHFFFAOYSA-N 271.360 3.532 30 20 CHED CC[C@H](N[C@H](C)C[C@@H](O)c1ccco1)c1ccc(C#N)cc1 774229310 FRQSJWRWHLGEKS-XOKHGSTOSA-N 298.386 3.704 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC(C)(C)C=C 877972358 GUZGATDLFYABMK-UHFFFAOYSA-N 263.406 3.865 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)cc1)c1sccc1O 771744715 MODRIVNAENBTCS-ZZXKWVIFSA-N 296.294 3.951 30 20 CHED COc1cc(NC[C@@H](C)CCC#N)cc(Cl)c1OC 877610972 ULRSKAQFIJBOGK-JTQLQIEISA-N 282.771 3.709 30 20 CHED CCOCCON=Cc1cc2cccc(C)c2nc1Cl 774436612 XBCOLYQYQNFFGG-UHFFFAOYSA-N 292.766 3.584 30 20 CHED Cc1ccc(OCCNc2ccccc2O[C@H](C)C#N)cc1 779742603 JZWYJZMEWISKTO-OAHLLOKOSA-N 296.370 3.777 30 20 CHED C=C(C)CNC(=O)Nc1cccc(COc2ccccc2)c1 779408404 HVPAVZBJZLQHRM-UHFFFAOYSA-N 296.370 3.963 30 20 CHED C#Cc1ccc(-c2nc(C(C)(C)C3CCCCC3)no2)cn1 771587756 PYLSYHKXMDYIFM-UHFFFAOYSA-N 295.386 3.971 30 20 CHED C[C@@H](COc1ccccc1)N[C@H](C)c1ccc(C#N)c(F)c1 776733638 BULSNCWLAOMVFQ-UONOGXRCSA-N 298.361 3.815 30 20 CHED N#Cc1ccnc(SCc2ccc(CF)cc2)c1 777534280 BXGGKZCIXIMDPX-UHFFFAOYSA-N 258.321 3.715 30 20 CHED C[C@@H]1CC/C(=C\C(=O)O[C@@H](C#N)C2CCCCC2)C1 776392317 ODSRDBCGGOTZFP-RYGRJTBMSA-N 261.365 3.748 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)CCc2ccc(F)cc21 777467636 MBTGMMWZISUMJP-KPKJPENVSA-N 271.266 3.572 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(Cl)cn1 774393863 MXUYIHOSJCPJAY-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C#CCCCCN[C@@H](Cc1ccc(C)cc1)C1CC1 773039891 YULYLSJFIUWTQY-SFHVURJKSA-N 255.405 3.709 30 20 CHED C=C1CCC(C(=O)N[C@@](C)(CC)c2nccs2)CC1 889107531 PHUFZRVBDHKXGL-HNNXBMFYSA-N 278.421 3.631 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)c(O)cc1Cl 885678453 PUAWBUMAVKTIDM-CYBMUJFWSA-N 271.719 3.726 30 20 CHED O=C(/C=C\c1cc(Cl)cc2c1OCC2)c1ccncc1 782880155 KVFCSPHHCBXQIQ-UPHRSURJSA-N 285.730 3.566 30 20 CHED Cc1cc(OCc2ccc(F)cc2F)ccc1C#N 1459060960 MSUCMHLMBGEIAP-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 785851152 JKLMOXBWKAIFLY-MEODZPNASA-N 275.779 3.920 30 20 CHED C[C@H]1Cc2cc(/C=C3/CCc4scnc4C3=O)ccc2O1 899387520 ODTUBTKWJZQXOB-BZPKPHBRSA-N 297.379 3.679 30 20 CHED COc1ccc(NN=C2CCC23CCCC3)c([N+](=O)[O-])c1 788720329 LHBLJGQTXRZVIP-UHFFFAOYSA-N 289.335 3.726 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)[C@@]1(C)CCCO1 782222050 XEXQLBAVSYUVCS-CQSZACIVSA-N 284.306 3.645 30 20 CHED N#CCc1ccc(CNC2(c3ccccc3F)CC2)cc1 784266195 HUYRZVFVBKRTRD-UHFFFAOYSA-N 280.346 3.671 30 20 CHED CCCCC[C@@H](C(=O)NCC(C)(C)C#N)C(C)C 782102171 XGBSVIINIRCYQK-CYBMUJFWSA-N 252.402 3.505 30 20 CHED C=C1CCC(C(=O)Nc2ccc(CN(C)C)cc2F)CC1 897973120 WWQVDOUVGLKZPN-UHFFFAOYSA-N 290.382 3.572 30 20 CHED C=CCC1(O)CCN(C(=O)[C@H](CC)CCCCCC)CC1 899589436 UIFYSCKRESQQSX-MRXNPFEDSA-N 295.467 3.913 30 20 CHED C#CCn1ccc(CN(CC)CC2CCC(C)(C)CC2)n1 789329179 KQZMWXVYRUJTQH-UHFFFAOYSA-N 287.451 3.555 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2cccc(F)c2[N+](=O)[O-])C1 790311290 ZJGKZZCBDJIGNG-MNOVXSKESA-N 279.315 3.958 30 20 CHED O=C(/C=C\c1cnn(CC2CCC2)c1)c1ccsc1 899353344 XFDOFXPCUPNYAK-PLNGDYQASA-N 272.373 3.641 30 20 CHED Cc1cc(/C=C\C(=O)c2ccccc2C#N)ccc1C#N 799499523 MERLTCODJVPEJF-CLFYSBASSA-N 272.307 3.634 30 20 CHED CC1(C)C[C@@]1(NC(=O)c1sccc1C#N)c1ccccc1 1131463777 NLUBFXIYWKZEGB-QGZVFWFLSA-N 296.395 3.675 30 20 CHED Cc1ccc(C=NNc2cccc(Cl)n2)c(C)c1 793173958 FARTUNDJPKBXKL-UHFFFAOYSA-N 259.740 3.798 30 20 CHED COc1ccc2cc(NC[C@H](C#N)CCC#N)ccc2c1 795315092 CARIITFMXDNKLB-ZDUSSCGKSA-N 279.343 3.704 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1c1cccc(C)c1C 791059932 WSSPOTLRVOOTCO-SJLPKXTDSA-N 298.430 3.952 30 20 CHED CC(CN1Cc2ccccc2C1)=NNc1ccc(F)cc1 792632062 QYLKRKXCUJTRHF-UHFFFAOYSA-N 283.350 3.629 30 20 CHED CS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C1 1339345240 KGBZKCZWNUMQGH-CVEARBPZSA-N 274.433 3.583 30 20 CHED COc1cc(/C=C\C(=O)c2sccc2C)ccc1C#N 799496905 ACLDWDSDLHEGFT-XQRVVYSFSA-N 283.352 3.833 30 20 CHED N#Cc1ccc(C=NNc2cc(Cl)cc(Cl)c2)o1 790202595 RRRRANKIXCYSGY-UHFFFAOYSA-N 280.114 3.904 30 20 CHED C=CCCCOc1cccc2c1[C@@H](O)CC(C)(C)O2 798221414 XFCQBEOWZRJYGR-LBPRGKRZSA-N 262.349 3.626 30 20 CHED CC[C@@H](NCC1(CC#N)CC1)c1cc(Cl)ccc1O 797587385 URDSROJCLFKLSM-CYBMUJFWSA-N 278.783 3.780 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1C[C@@H](OCC)[C@]12CCCO2 793554427 PRRBZWRZCHCHCA-MLHJIOFPSA-N 295.467 3.828 30 20 CHED COc1cc(CNc2cnc(Cl)cc2C)ccc1C#N 799761721 APMKPWBUILIZSK-UHFFFAOYSA-N 287.750 3.536 30 20 CHED Cc1cc(C=NNCC2(C)CCCC2)cc(Cl)n1 793083649 DAVNZQOERBNPFB-UHFFFAOYSA-N 265.788 3.547 30 20 CHED CCCCCCCS(=O)(=O)N[C@@H](C)c1ccccc1 799742642 DDFZKLMCSPOATO-AWEZNQCLSA-N 283.437 3.637 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ccccc2C#N)c(O)c1 799895963 SKDRXYNBCPJGAB-BQYQJAHWSA-N 277.323 3.777 30 20 CHED N#CC[C@H](CC(=O)Nc1ccc(Cl)nc1)c1ccccc1 792939435 LYEVXSJBVIDAGB-CYBMUJFWSA-N 299.761 3.761 30 20 CHED C[C@H]1CCC(=NNc2cccc(Cl)n2)C[C@@H]1C 793176181 ZMPYWYDUKCTQKB-UWVGGRQHSA-N 251.761 3.959 30 20 CHED CC[C@@H](C)CON=Cc1cccn1Cc1ccccc1C#N 793146229 OOWVPIDJSFSMQW-OAHLLOKOSA-N 295.386 3.805 30 20 CHED C=C1CCN(Cc2cc3sc(C(=O)O)cc3s2)CC1 1776145899 OBVMKFJLOYBIKD-UHFFFAOYSA-N 293.413 3.813 30 20 CHED CCC(C)(C)CNc1nccc(Oc2cccc(C#N)c2)n1 1307096578 UFAAFRNSFFDSGG-UHFFFAOYSA-N 296.374 3.989 30 20 CHED C#CCN(CC1CC1)C(=S)Nc1ccc(F)c(Cl)c1 1319555671 PUBSSWUXLAFJIX-UHFFFAOYSA-N 296.798 3.521 30 20 CHED CC(C)(C)c1ncc(CN(CC#N)C2CCCC2)s1 93563353 NZVUZMNRRNTTDR-UHFFFAOYSA-N 277.437 3.709 30 20 CHED CCN(C(=O)CC#Cc1ccccc1)c1cccc(C)c1 1319312707 WVIMLZIMBWEYDZ-UHFFFAOYSA-N 277.367 3.790 30 20 CHED C=CCCOCCNC(=O)c1ccc([C@@H](C)CC)cc1 1319730519 BIQYKUUPOWREEQ-AWEZNQCLSA-N 275.392 3.523 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(Br)cc1F 167726573 RGHBSGUGTSTVNL-MRVPVSSYSA-N 292.579 3.991 30 20 CHED C#CCCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 760818958 QWGZAJFQBUMSSL-UHFFFAOYSA-N 268.187 3.981 30 20 CHED C=CCCCCN[C@@H](C)c1ncc(Br)s1 274410521 DHYVHSZAKQWBFH-VIFPVBQESA-N 289.242 3.913 30 20 CHED COc1cc(CN2CCC(C3CCCC3)CC2)ccc1C#N 1179849984 MANLALKDDSIEOC-UHFFFAOYSA-N 298.430 3.969 30 20 CHED N#Cc1ccc(SCc2nnc(CC3CCCC3)o2)cc1 1322330113 OBXGMIMTSHDTSH-UHFFFAOYSA-N 299.399 3.966 30 20 CHED C[C@@H](Oc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1326305615 KLZFIWFTSXWRRU-GFCCVEGCSA-N 291.310 3.748 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)CC(C)(C)C#N 1321036206 UZQARZUBDZTOFF-QLFBSQMISA-N 278.440 3.751 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccc(F)cc3F)o2)cc1 1322502801 LQMLYZRRDNACGV-UHFFFAOYSA-N 283.237 3.553 30 20 CHED Cc1ccc(C#N)c(N[C@@H](C)Cc2ccc(C)s2)n1 80245044 PUHVYICYLIZSDH-NSHDSACASA-N 271.389 3.675 30 20 CHED Cc1cc(F)ccc1NN=Cc1ncccc1C(F)(F)F 1323196244 GCDMCSHUACADPD-UHFFFAOYSA-N 297.255 3.994 30 20 CHED C=C(C)CCC(=O)NCC1(c2ccc(OC)cc2)CCC1 1335860856 DADXIVHPDIGEFS-UHFFFAOYSA-N 287.403 3.589 30 20 CHED CC[C@@H](CC(=O)N(CC)[C@@H](C#N)CC)c1ccccc1 1337580164 FYTBUROUYMFJQD-GOEBONIOSA-N 272.392 3.721 30 20 CHED C=C(C)CCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 1338804382 GHHKCOGWCZHYKV-AWEZNQCLSA-N 270.376 3.824 30 20 CHED C#Cc1cccc(N(CC)Cc2cccnc2Cl)c1 728573438 RQCIUBYJYMSCGX-UHFFFAOYSA-N 270.763 3.743 30 20 CHED N#Cc1ccc(COc2c(Cl)cccc2Cl)nc1 584696730 AOFZXUFAPKDEDY-UHFFFAOYSA-N 279.126 3.839 30 20 CHED N#CCCCCCC(=O)NCc1cccc(Cl)c1F 1259465014 VVYAVRCYCLRNGE-UHFFFAOYSA-N 282.746 3.569 30 20 CHED CC[C@H]1CCC[C@H](NCc2ccc(OC)c(C#N)c2)C1 87824483 SZHHVAAFPUITRE-BBRMVZONSA-N 272.392 3.625 30 20 CHED C[C@H]1CC(CCNc2cc(C#N)cc(Cl)n2)C[C@H](C)O1 1336638265 PPTLQODUJZJCAH-QWRGUYRKSA-N 293.798 3.612 30 20 CHED Cc1ccccc1CCN[C@H](C)c1ccc(C#N)cc1 91436941 UEQLFCGYNOOURZ-OAHLLOKOSA-N 264.372 3.760 30 20 CHED COc1cc(C#N)ccc1OCc1c(C)cccc1C 96810209 LDDBZYFWJLUPAM-UHFFFAOYSA-N 267.328 3.763 30 20 CHED N#C[C@H](C(=O)CCC1CC1)c1nc2cccc(Cl)c2[nH]1 1344930403 LXUXTCZQNCDWJM-SNVBAGLBSA-N 287.750 3.583 30 20 CHED C=CCC1(CNC(=O)c2c(F)ccnc2Cl)CCCC1 1347024805 BFMOQZZDBWHLGC-UHFFFAOYSA-N 296.773 3.740 30 20 CHED CC(C)c1cccc(C(=O)O[C@H](CC#N)c2ccco2)n1 1346719656 AYPPSTMONDUYQX-OAHLLOKOSA-N 284.315 3.610 30 20 CHED Cc1cc(C)c(CC(=O)O[C@H](CC#N)c2ccco2)c(C)c1 1344934822 BFNINANFWYCLIC-QGZVFWFLSA-N 297.354 3.946 30 20 CHED CC(C)[C@H]1C[C@H](Nc2ccc(OCC#N)cc2)CS1 1343628204 XQPOMPRTFJFZRI-DZGCQCFKSA-N 276.405 3.531 30 20 CHED CC(C)(NC(=O)CC#Cc1ccccc1)C1CCCCC1 1340376471 OOPMCPZIKHVDRP-UHFFFAOYSA-N 283.415 3.903 30 20 CHED C[C@H](OC(=O)c1ccc(F)c2occc12)C(C)(C)C#N 1517462171 WIAWFIXPXVRCJV-VIFPVBQESA-N 275.279 3.667 30 20 CHED CCCC[C@@](C)(F)C(=O)O[C@@H](CC#N)c1ccco1 1520418105 NKINUDKYBYXKBR-GXTWGEPZSA-N 267.300 3.696 30 20 CHED C=C[C@@H](C(=O)N[C@]1(C)CC=CCC1)c1ccccc1 1528493388 TYRBDFFNKYZQLT-NVXWUHKLSA-N 255.361 3.571 30 20 CHED C=C(CC)C(=O)NCc1c(Cl)cccc1Cl 1520772937 FHZLYHJMXRPVME-UHFFFAOYSA-N 258.148 3.576 30 20 CHED Cc1cc(NC[C@@H]2C[C@H]2C)n2c(nc3ccccc32)c1C#N 1611797177 CDKQGVZJYJBHMO-YPMHNXCESA-N 290.370 3.736 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(-c2ccco2)cc1F 1639462848 UGAHJAAVFKUTBG-JTQLQIEISA-N 272.279 3.574 30 20 CHED CSc1ccc(/C=C/C(=O)c2cccnc2)cc1 5128289 BDGGKUJIPAPJGB-RMKNXTFCSA-N 255.342 3.700 30 20 CHED CC[C@@H](Nc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1648789169 JCWVRGMORJNFLZ-QGZVFWFLSA-N 293.370 3.582 30 20 CHED CCN1CCN(Cc2ccc(C#N)c(C)c2)c2ccccc21 1658795501 FQZQZSNHGWQQHO-UHFFFAOYSA-N 291.398 3.713 30 20 CHED CC[C@H](Cc1ccccc1)N(C)CC1(CC#N)CC1 1653473229 ZIBGUEPRVLVQOU-MRXNPFEDSA-N 256.393 3.633 30 20 CHED CC(C)(C#N)CCCNc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 1589554912 VQLNIPRSOMMZLL-LSDHHAIUSA-N 286.375 3.617 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cccc(Cl)c2)c1 1584674219 GACGUQBTJXDDIL-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=CCC1(NCc2ccc(C(=O)O)c(F)c2)CCCCC1 1588769122 LPMDKBPOFPMVSJ-UHFFFAOYSA-N 291.366 3.893 30 20 CHED COc1ccc(C(=O)O)cc1CSc1ccc(C#N)cc1 1599499629 MXTXKAXIUQYREG-UHFFFAOYSA-N 299.351 3.557 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)NCc1cccc(C#N)c1 1675350776 HCRMPMHIJVMKPH-KRWDZBQOSA-N 299.418 3.668 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C#N)c(F)c1 1678225605 RGIZXAHJMDFZQZ-NHYWBVRUSA-N 289.354 3.788 30 20 CHED C=Cc1ccc(/C=C/C(=O)c2cccc(C(=O)O)c2)cc1 1776194459 HZIXXWNAEQCPRQ-ZHACJKMWSA-N 278.307 3.924 30 20 CHED O=C(O)/C=C\c1ccc(/C=C2\Cc3ccsc3C2=O)cc1 1777623686 UXGUKIXNOAZLQK-HMLIUESASA-N 296.347 3.668 30 20 CHED C#CCCCCNC(=O)Nc1ccc2nc(C)sc2c1 150828659 SPAVPBRMMGJTBW-UHFFFAOYSA-N 287.388 3.530 30 20 CHED C=CCN(C)C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 161628482 AAOGRTVHZHUNQP-UHFFFAOYSA-N 297.320 3.772 30 20 CHED CC(C(=O)[C@H](C#N)c1nc(C)cs1)=C1CCCC1 161883251 FPNWWBRLZXQRHD-LBPRGKRZSA-N 260.362 3.518 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(F)cc2F)c1 206083577 HFTDWOQDOVFQFS-YVMONPNESA-N 274.266 3.870 30 20 CHED CCc1ccccc1NC(=O)CSc1cccc(C#N)c1 158674661 YNHKVIPNJGVKFP-UHFFFAOYSA-N 296.395 3.851 30 20 CHED C=C(C)COCCN[C@H](C)c1cc2cccc(OC)c2o1 164648806 PCJUKOJCYCMXIN-CYBMUJFWSA-N 289.375 3.685 30 20 CHED COc1ccc(Cl)cc1/C=C/C(=O)c1ccco1 8186666 FIRRQXAYIUNXIA-GQCTYLIASA-N 262.692 3.838 30 20 CHED C=C(C)COc1cccc(NC(=O)C2=CCCC2)c1 152832248 WHJYWKWOHXDIBY-UHFFFAOYSA-N 257.333 3.690 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C/c1cccnc1 7332581 OGJGGRLLLKKFBT-GQCTYLIASA-N 273.719 3.640 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1Cl 157620649 LYTTXFIKZNANJA-NHYWBVRUSA-N 288.778 3.616 30 20 CHED CC[C@H](CC(=O)N(CC)C[C@@H](C)C#N)c1ccc(C)cc1 156391923 NRXDVTRVQXXXJJ-JKSUJKDBSA-N 286.419 3.887 30 20 CHED C=CCC[C@H](CC)N[C@H](COC)c1ccc(C)o1 156483795 QPIVXZIYGGYWBZ-UONOGXRCSA-N 251.370 3.610 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1cc(Cl)ccc1C#N 156993270 GGGRJFUJSATHSC-UHFFFAOYSA-N 288.778 3.943 30 20 CHED Cc1nnc(SCC#Cc2cccc(Cl)c2)s1 159298734 IRVVOCPZYYZIFR-UHFFFAOYSA-N 280.805 3.644 30 20 CHED C[C@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)C[C@@H]1C 1639655132 BSEITPCHVZIPLV-STQMWFEESA-N 271.408 3.733 30 20 CHED CC(=O)c1ccc(Cl)cc1OCc1ccccc1C#N 1652906355 FPJWUBIWPASMMU-UHFFFAOYSA-N 285.730 3.993 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(C)s2)c1 834902219 FQIUDAJVBGZRRU-ZDUSSCGKSA-N 255.386 3.889 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(C(F)(F)F)cc1 125612635 YUEYTGINHDUQNW-GFCCVEGCSA-N 287.325 3.949 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(OC(F)F)cc1 125616394 QPYLBBSXQBWPTP-GFCCVEGCSA-N 285.334 3.531 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cncs1 161502825 VFFUECWRQDNFCF-GFCCVEGCSA-N 274.389 3.559 30 20 CHED CCCCC1CCC(C(=O)N[C@@H](C#N)CCC)CC1 40352419 RMWIXJASRJCYQP-YMAMQOFZSA-N 264.413 3.791 30 20 CHED N#Cc1cccc(NCc2ccc(Cl)cc2[N+](=O)[O-])c1 50443176 ALCPDEZUFSPJEN-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc2sccc2c1 348570797 MXWLMTAKQXKGNL-NSHDSACASA-N 272.373 3.523 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(Cl)c(Cl)c1 58617331 PTUZGFPYHPQMJC-JTQLQIEISA-N 299.201 3.544 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Cl)nc1Cl 297814096 LTJWTBXTSXCYCK-UHFFFAOYSA-N 287.190 3.721 30 20 CHED Cc1cccc(CNCCc2cccc(C#N)c2)c1C 466407636 COTDEYCNBPCTNS-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@H]1C 302180232 DVDVYNOKVZYASJ-UWVGGRQHSA-N 268.282 3.812 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccs1 192179904 GIQKMVFVXVCLSQ-SNVBAGLBSA-N 260.337 3.610 30 20 CHED C=CCCCCNC1CCC(NC(=O)OC(C)(C)C)CC1 309706590 HZLCGLYIWHIFMQ-UHFFFAOYSA-N 296.455 3.768 30 20 CHED CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)C1CC1 324167443 NYRYACUNZASIOM-SNVBAGLBSA-N 269.270 3.573 30 20 CHED CC(C)c1nc(/C(O)=N/C2(CCO)CCCCC2)cs1 330721362 BYDOTBGUONVMJE-UHFFFAOYSA-N 296.436 3.656 30 20 CHED Cc1ccsc1CN(C)c1ncc(C#N)cc1Cl 338644821 XZGRKNTVZLGSDR-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C[C@H](CCc1ccco1)Nc1ncc(C#N)cc1Cl 339241339 UZUHTNWAKBNHHL-SNVBAGLBSA-N 275.739 3.633 30 20 CHED CCCCCCC[C@@H](C)NC[C@@](C)(O)C(F)(F)F 705022342 TWMZDBJGEMEILO-VXGBXAGGSA-N 269.351 3.638 30 20 CHED CCc1ccc(Nc2ccc(C#N)cn2)cc1Cl 691228820 QWAXGOHVEXJILO-UHFFFAOYSA-N 257.724 3.913 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)[C@@H]2CCC[C@H]21 394462633 WEPFBHMTCQNSOV-HUUCEWRRSA-N 272.367 3.708 30 20 CHED C(=NNCc1ccccc1)c1cc2ccccc2o1 812433482 PSCXPEJKTRQNDN-UHFFFAOYSA-N 250.301 3.557 30 20 CHED C=CCCSCCN[C@H](C)CSC(C)(C)C 850503923 PVEQWZNVPJBQKA-GFCCVEGCSA-N 261.500 3.806 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC1(Cl)Cl 791865274 LXEFQEKMRILMSY-CYBMUJFWSA-N 298.213 3.785 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2ccc(OCC#N)cc2)o1 20126436 JMEFOKTXZDKELK-LRDDRELGSA-N 282.343 3.917 30 20 CHED CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(C#N)c1 22533331 ZMXUWEIGZPVUBP-HNNXBMFYSA-N 296.395 3.769 30 20 CHED COc1ccc2c(c1)CCCN2Cc1ccc(C#N)cc1 27578358 JXIAEFOVXGYFDX-UHFFFAOYSA-N 278.355 3.520 30 20 CHED N#C[C@H](C(=O)CCC1CCCC1)c1nc2ccccc2o1 41545755 USYWHJRPHZBFLG-CYBMUJFWSA-N 282.343 3.974 30 20 CHED C=CCSCC(=O)N[C@H](CCC)c1ccccc1 44334023 QHXOVTOJWNPNEU-CQSZACIVSA-N 263.406 3.563 30 20 CHED C=C(Br)CN[C@H](C)CCc1ccccc1 44482660 VPDRKICFRRGIEC-GFCCVEGCSA-N 268.198 3.506 30 20 CHED N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1)c1ccccn1 46439689 VGZBLVGEWIGJIC-VIIAAUOXSA-N 282.730 3.625 30 20 CHED C[C@@H](c1ccccc1)N(C)CCOc1cccc(C#N)c1 51428947 WKPPRKHPJPTSJN-HNNXBMFYSA-N 280.371 3.630 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)C1 56817202 VZIQNTOIEHSYPQ-ZBFHGGJFSA-N 299.418 3.526 30 20 CHED Cc1c(Cl)c(CN2CCC(C#N)CC2)nc2ccccc12 57875972 SSAZINXCFXGBMN-UHFFFAOYSA-N 299.805 3.932 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccc(C#N)cc1)C2=O 63279340 SXCLXAYEZLCMIZ-OQLLNIDSSA-N 275.307 3.525 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1(c2ccccc2)CCC1 63961463 SFTNQHWENOWFKI-UHFFFAOYSA-N 290.366 3.927 30 20 CHED C=C(C)CN(CC)C(=O)CCSc1ccc(OC)cc1 73117323 ZLEWZVLPILTASB-UHFFFAOYSA-N 293.432 3.602 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)/N=C2/NCCS2)cc1 78024704 QXZOJIMJFHVGCR-LBPRGKRZSA-N 290.432 3.523 30 20 CHED CCOc1cc(F)ccc1NCc1ccccc1C#N 79178801 FXHGRCPWHFCRMF-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(CCC)Cc1ccc(C#N)cc1 79488646 HXEDDZKXVGSQLS-IAGOWNOFSA-N 284.403 3.733 30 20 CHED CCN(C(=O)[C@H](C)C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 79716166 CZLJTLUJKLWKKI-QWRGUYRKSA-N 298.308 3.666 30 20 CHED N#CCCN(Cc1cc(Br)cs1)CC1CC1 81044072 QTWXOQSKDREXNW-UHFFFAOYSA-N 299.237 3.636 30 20 CHED N#Cc1ccc(N[C@H]2CSc3ccccc32)c(F)c1 83748576 CPBAYADPTBLUQU-AWEZNQCLSA-N 270.332 3.956 30 20 CHED CC[C@H](C#N)OC(=O)c1sc(-c2ccccc2)nc1C 84698128 OPJUHFMNIQWHSS-GFCCVEGCSA-N 286.356 3.578 30 20 CHED C#CCNc1cc(C(=O)N(C)c2ccccc2)ccc1Cl 85278234 NAHNDGRXARSZCC-UHFFFAOYSA-N 298.773 3.662 30 20 CHED N#CCC1(CNc2cc(C(F)(F)F)ccc2F)CC1 88255390 RLBAGAZATWKYHI-UHFFFAOYSA-N 272.245 3.950 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(Br)c1C 88444600 NPIJVZDFEJYOFC-UHFFFAOYSA-N 294.192 3.572 30 20 CHED C=C[C@H](CC(=O)Nc1ncccc1CC)c1ccccc1 90130269 XSPWXTXTUCPVTQ-OAHLLOKOSA-N 280.371 3.942 30 20 CHED C[C@H](N[C@H](C)C[C@H]1CCCCCN1)c1ccc(C#N)cc1 93515134 XCXIKWQMLZFANS-RVKKMQEKSA-N 285.435 3.520 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)o1 102714057 ONTNSMQQSBSDQH-ONEGZZNKSA-N 266.218 3.901 30 20 CHED CCC[C@@H](C)CC(=O)N(CCC#N)CCC(C)C 103440051 HJHQHNQEQKZCBP-CQSZACIVSA-N 252.402 3.601 30 20 CHED C=C(C)CN(C)CCCc1cc(-c2ccccc2)n[nH]1 103475024 REKDNOQJVSTUPJ-UHFFFAOYSA-N 269.392 3.517 30 20 CHED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CC2=CCCCC2)c1 106984075 ZUCHXTQOCGMVIK-MRXNPFEDSA-N 296.370 3.533 30 20 CHED N#CCCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 108385819 SMKWBFXVQSGYEW-QGZVFWFLSA-N 267.376 3.999 30 20 CHED C=C(Br)CN1CCSC[C@@H]1c1ccccc1 115740229 BUKJRWDYOFMMRB-CYBMUJFWSA-N 298.249 3.685 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(-n2cccc2)ccc1F 117005740 HIRMXBIRTVOQAQ-GFCCVEGCSA-N 287.338 3.703 30 20 CHED CCN(C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(C)C 119042357 AGARNKCYJHSQTL-IAGOWNOFSA-N 299.418 3.608 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cc(F)c(F)cc1F 119043647 YPMVIZMEIXRELO-NSCUHMNNSA-N 266.218 3.901 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccc2ccccc2c1 119858669 WMLLUGYKWPECPH-LBPRGKRZSA-N 267.332 3.606 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC(C)(C)c2ccccc21 120031654 OMMMTQXBVIJNPJ-MRXNPFEDSA-N 269.388 3.719 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1F 120109950 AIPVHDORAYPADT-JTQLQIEISA-N 290.288 3.826 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 121011186 VYGQESRCHYPRMW-NWDGAFQWSA-N 295.308 3.800 30 20 CHED Cc1nc(CNc2cc(C#N)ccc2C(F)(F)F)cs1 121706911 LZQQHUSTLJLBKX-UHFFFAOYSA-N 297.305 3.954 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1ccccc1Cl 126483872 QOSFWZATMHUDCB-GFCCVEGCSA-N 278.783 3.785 30 20 CHED C[C@H](Nc1ccnc(Cl)c1)c1ccc(C#N)cc1 129838321 DDJPZSDAYCZVHB-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=CCN(C(=O)[C@@H](C)c1c(C)noc1C)c1ccccc1 131233586 MBYBDKONGMVQPF-LBPRGKRZSA-N 284.359 3.614 30 20 CHED CCS[C@@H](C(=O)OCc1ccc(C#N)cc1C)C(C)C 131604919 YHQMDCSUNYHHGN-OAHLLOKOSA-N 291.416 3.688 30 20 CHED COc1ccc(/C=C/C(=O)C2CCCCC2)cc1C#N 132557559 YDSRRHBPAFCNSX-VQHVLOKHSA-N 269.344 3.729 30 20 CHED CC[C@@H](C#N)OC(=O)/C(C)=C/c1cccc(Cl)c1 132910202 QJBGAJDRJHAQGQ-RSPDNQDQSA-N 263.724 3.589 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 133679800 NRRWBSREUIHWBP-HOTGVXAUSA-N 299.418 3.909 30 20 CHED C=C(Br)CNCc1c(CC)oc2ccccc12 134402110 XQMBGGMDBRBJNC-UHFFFAOYSA-N 294.192 3.993 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2oc(COC)nc2c1 135103252 YTQIBBOKEMIINJ-MRXNPFEDSA-N 288.347 3.515 30 20 CHED C[C@H](CNCc1ccc(C#N)s1)c1ccccc1 135669183 YUAMONZPCZYGNC-GFCCVEGCSA-N 256.374 3.513 30 20 CHED CCCCCCNc1ccc(F)cc1OCC#N 150776381 CTSYSZCVMXTGHE-UHFFFAOYSA-N 250.317 3.720 30 20 CHED C=CCCCCCN(C)CC(=O)N[C@@H](C)c1cccs1 150894252 ZFZMDAQROJUUKM-AWEZNQCLSA-N 294.464 3.604 30 20 CHED CCCCCC[C@H](C)NC(=O)c1c(F)cc(C#N)cc1F 153155407 ZBWDGAZDLFOSSD-NSHDSACASA-N 294.345 3.925 30 20 CHED Clc1cccc(C#CCN2CCC[C@H]2c2ccncc2)c1 153870963 MPWDSNBNTNIOLK-SFHVURJKSA-N 296.801 3.924 30 20 CHED CCn1c(-c2cccc([N+](=O)[O-])c2)nc2cc(C#N)ccc21 155109166 SEUBLCSIBFZGPC-UHFFFAOYSA-N 292.298 3.503 30 20 CHED N#Cc1ccc(C(=O)Nc2ccsc2)cc1Cl 157230456 FVMQLSBAIGSXSV-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C[C@@H]1C 162935491 LBLFGPQQAPTWCJ-NEPJUHHUSA-N 262.784 3.690 30 20 CHED CC[C@@H](C#N)NC(=O)c1cc(C)n(C2CCCCC2)c1C 171004193 SIQNDQPEGZNZFR-AWEZNQCLSA-N 287.407 3.642 30 20 CHED CCC(CC)(C(=O)N[C@H](C)CC#N)c1ccc(Cl)cc1 171207908 LKINDAYUSIPEHO-GFCCVEGCSA-N 292.810 3.816 30 20 CHED C/C(=C\C(=O)OCCCC#N)c1ccccc1Cl 171229910 RWFXXNDXLCEPDC-ZHACJKMWSA-N 263.724 3.590 30 20 CHED CCc1nc2ccccc2c(C(=O)NCCCCC#N)c1C 171507506 CZDQSFFQUJQLTC-UHFFFAOYSA-N 295.386 3.529 30 20 CHED COc1ccc(/C=C/C(=O)c2ccsc2)cc1[N+](=O)[O-] 171752985 ONYUWVSPRPUXGA-DUXPYHPUSA-N 289.312 3.561 30 20 CHED COc1ccc(C(=O)OCC2(CC#N)CC2)c2ccccc12 174736013 JMQKXXQJARZOFC-UHFFFAOYSA-N 295.338 3.699 30 20 CHED C#Cc1cccc(N(C)C(=O)c2scnc2C(C)(C)C)c1 176756945 DWAICMCYAYBYLA-UHFFFAOYSA-N 298.411 3.699 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1cccc(F)c1 177594778 VQORWTIAFWTJAN-LBPRGKRZSA-N 281.396 3.731 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]1C1CCC1 178572604 BJCQGYRNKSBBRG-INIZCTEOSA-N 283.375 3.663 30 20 CHED CN(CCCc1ccccc1)Cc1ccc(C#N)s1 179317195 BSVPQGSMEMLRDI-UHFFFAOYSA-N 270.401 3.684 30 20 CHED CC(C)CCOC1CCN(Cc2cc(C#N)cs2)CC1 179333359 KTQAZEHWXNBUDK-UHFFFAOYSA-N 292.448 3.647 30 20 CHED Cc1[nH]c2ccc(C(=O)O[C@H]3CC[C@@H](C#N)C3)cc2c1C 179905316 RHRZDVITUVVHNT-OCCSQVGLSA-N 282.343 3.634 30 20 CHED C=CC[C@H](C)N[C@H]1CCSc2ccc(F)cc21 180953970 YGMGKDHTWDSMAI-GWCFXTLKSA-N 251.370 3.917 30 20 CHED CC(C)CSCCCN[C@H](C)c1cccc(C#N)c1 181994194 VSURLNSZINXSET-CQSZACIVSA-N 276.449 3.988 30 20 CHED CCc1nc(CSCc2ccc(Cl)cc2C#N)no1 184818797 VSCWOUXDBWVTJN-UHFFFAOYSA-N 293.779 3.590 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 185579437 APQSRJSQMMEMHJ-NVXWUHKLSA-N 269.388 3.585 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1c(F)cccc1Cl 185766255 CDXQOLRFWWMVTI-NSHDSACASA-N 281.758 3.850 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cc(Br)cs2)C1 185783941 JZHIOKGYHIYQKK-KOLCDFICSA-N 299.237 3.683 30 20 CHED Cc1cc(C#N)ccc1CN1CCC(OC2CCCC2)CC1 186192848 LRHUIEYAQHZGFQ-UHFFFAOYSA-N 298.430 3.790 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1C=CCCC1)c1ccccc1 188537501 OKTLPNCLNQJLGJ-CVEARBPZSA-N 255.361 3.571 30 20 CHED C=CCC[C@@H](C(=O)Nc1cnc(CC)nc1)c1ccccc1 188740653 YODNICVQTGIPCD-MRXNPFEDSA-N 295.386 3.728 30 20 CHED COc1ccc(Cl)c(NCc2ccc(C#N)c(F)c2)c1 190356760 JKDYKPQGTKTBEV-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C#CCN(C)C(=O)c1cc2sc3ccccc3c2s1 191022086 CNOLLKFFJDEWFL-UHFFFAOYSA-N 285.393 3.821 30 20 CHED CC(C)Cn1cc(CNc2ccc(Cl)c(C#N)c2)cn1 191156955 NYMKIGKBQNUYOH-UHFFFAOYSA-N 288.782 3.676 30 20 CHED O=C(/C=C/c1ccc(OCC2CC2)cc1)c1ccco1 191323630 KAWZQZBMVRPLJM-JXMROGBWSA-N 268.312 3.965 30 20 CHED CCC(CC)N(Cc1cc(C#N)n(C)c1)CC(C)C 191430564 XYVQTEIITHSQQW-UHFFFAOYSA-N 261.413 3.543 30 20 CHED COc1cc(CNc2ccc(CC#N)cc2)ccc1C 194247566 AEBGUTZNPQBTBS-UHFFFAOYSA-N 266.344 3.682 30 20 CHED CC(C)Cc1nc(C(=O)N(CC#N)c2ccccc2)cs1 195116630 TZBWOTULZVUJMA-UHFFFAOYSA-N 299.399 3.512 30 20 CHED Cc1ccc(C#N)cc1OCc1ccc2ncccc2c1 225279974 NVVYSYOIWSCXRN-UHFFFAOYSA-N 274.323 3.994 30 20 CHED Cc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1F 237576730 UGPNBEKAAMDMOP-CQSZACIVSA-N 298.361 3.715 30 20 CHED Cc1cc(N2CCCC[C@H]2C)ccc1N[C@H](C)C#N 246140183 XDDKHRJVBMXJPL-ZIAGYGMSSA-N 257.381 3.698 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1c[nH]c2ccccc12 252461027 JZUFKEQJFQIJPR-UHFFFAOYSA-N 280.287 3.522 30 20 CHED O=C(/C=C\c1cncs1)c1cccc(OC(F)F)c1 255542207 NJEUZCHTULYKNX-PLNGDYQASA-N 281.283 3.641 30 20 CHED C=CCCCC(=O)N1CC[C@H]1c1ccc(Cl)cc1 267128657 FGWXKADNZRFDOH-AWEZNQCLSA-N 263.768 3.970 30 20 CHED C#CCN(CC)C(=O)Nc1cc(Cl)ccc1SC 267321074 ORDKCVQACBEKEX-UHFFFAOYSA-N 282.796 3.549 30 20 CHED CCSCc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 267513462 JNVLJUJHUSACGH-CQSZACIVSA-N 290.432 3.608 30 20 CHED CC[C@H](Nc1cc(C)n(CCC#N)n1)c1ccccc1 271017965 LHFAMMJUGUAVMP-HNNXBMFYSA-N 268.364 3.668 30 20 CHED Cc1cc(F)cc2c(N[C@@H]3CCO[C@@H](C)C3)c(C#N)cnc12 271409253 PCHAYGSMTMADAU-SMDDNHRTSA-N 299.349 3.533 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)c1ccc(SC)cc1 275543730 ZZEKLLSZWSXLPA-INIZCTEOSA-N 293.432 3.600 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(C(F)(F)F)cn1 277648975 IBVOYCGDQRFEOJ-UHFFFAOYSA-N 299.340 3.862 30 20 CHED CC[C@@H](CSC)N[C@@H](CC)c1ccc(C#N)cc1 278699114 KWQMZVFQSGWFRN-GJZGRUSLSA-N 262.422 3.741 30 20 CHED C[C@H](CS(=O)(=O)CCCC(C)(C)C#N)c1ccccc1 280019515 OMTRFFXYLBLBBL-CQSZACIVSA-N 293.432 3.535 30 20 CHED CN(CCCC1(C#N)CCOCC1)[C@H]1CCc2ccccc21 281882373 DDGZRDRIXBXWQF-SFHVURJKSA-N 298.430 3.706 30 20 CHED CCOc1cccc([C@@H](C)Nc2cc(C#N)ccn2)c1 286142972 HHUVAPMBNYWMMT-GFCCVEGCSA-N 267.332 3.525 30 20 CHED CC#CCCCc1nc(Cc2c[nH]c3cc(F)ccc23)no1 288833572 CMVCTLRJBDREKN-UHFFFAOYSA-N 297.333 3.627 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1scc(C)c1C#N 288847497 PCBIJLZEHFNAJT-PSASIEDQSA-N 250.367 3.549 30 20 CHED N#CC1(CCCNc2cccc(F)c2Cl)CCOCC1 290178478 QRESWBRLQACZLA-UHFFFAOYSA-N 296.773 3.992 30 20 CHED CC[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)OC 290573315 OPCLNVLZMAQLML-UWJMNNEMSA-N 276.163 3.543 30 20 CHED C[C@@H](C#N)N(C)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 297659461 BQDCQJZQEWYTOF-ZJUUUORDSA-N 299.201 3.542 30 20 CHED N#Cc1cnc2ccc(OC(F)F)cc2c1NCC1CC1 301250710 MOYUQUKJKCVKHS-UHFFFAOYSA-N 289.285 3.530 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1c1ccc(C#N)cc1 301310357 ZITFXLGJWOANRU-YOEHRIQHSA-N 262.356 3.941 30 20 CHED CC1(C)CN(c2c(Cl)cccc2C#N)CCS1 301598388 XRGARIMHUXVOAB-UHFFFAOYSA-N 266.797 3.543 30 20 CHED N#Cc1cccnc1NCC1(Cc2ccccc2)CCC1 301636414 WVAAGQTYYZVKHF-UHFFFAOYSA-N 277.371 3.778 30 20 CHED C[C@@H]1C[C@H]1[C@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 301963705 JDDXXGIVMUHYMW-QSGSBWRWSA-N 298.777 3.811 30 20 CHED N#Cc1ccc2nc(NC3CCCCC3)ccc2c1 301980746 PRTFWNGGOQPURG-UHFFFAOYSA-N 251.333 3.851 30 20 CHED N#Cc1ccc(Cl)cc1NCCC[C@@H]1CCCCO1 302238650 WURSCKRQWMAULE-AWEZNQCLSA-N 278.783 3.973 30 20 CHED C=CCCCCNc1ccc2nnc(-c3ccsc3)n2n1 302441014 MFBJBLZTYVTFTR-UHFFFAOYSA-N 299.403 3.621 30 20 CHED Cc1cc(C)cc(OCCNc2c(C#N)cccc2C#N)c1 302851965 QDEUMGDKFCNKCM-UHFFFAOYSA-N 291.354 3.538 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2CCc3ccccc3C2)c1 308120301 GFDYOLCZCFLRAH-QGZVFWFLSA-N 262.356 3.836 30 20 CHED CCCCCCCCN[C@@H](C)c1ncc(C(=O)O)s1 315063872 AASUHRCGJBDAMB-NSHDSACASA-N 284.425 3.852 30 20 CHED Cc1cc(F)cc(-c2noc(Cc3ccc(C#N)cc3)n2)c1 319025922 ABECZFKBLQSHHH-UHFFFAOYSA-N 293.301 3.647 30 20 CHED COC1(CC/N=C(/O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)CCC1 329575266 VMTZQDAEZCZPLB-OLZOCXBDSA-N 295.423 3.544 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cc(C3CC3)ccn2)CCC1=O 329663553 PDZPAIWRWLNPDL-GXFFZTMASA-N 272.348 3.552 30 20 CHED CCCCn1ncc(N=C(O)N2[C@@H](CC)CC[C@H]2C)c1C 330665662 VRMPTTXXDZZSSS-OCCSQVGLSA-N 292.427 3.800 30 20 CHED CS[C@@H]1CCC[C@@H](/N=C(/O)c2cncnc2C(C)C)C1 330860654 WHIUVZFTFVWPRL-VXGBXAGGSA-N 293.436 3.579 30 20 CHED Cc1cccc(/C(O)=N/C[C@@H]2CC[C@H](C)C2)c1[N+](=O)[O-] 331057644 ADKFPKMMSHXZAA-CMPLNLGQSA-N 276.336 3.644 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N[C@H]2CCCC2(C)C)c1C 331114375 JPUQVMODMRJPMH-FZMZJTMJSA-N 292.427 3.876 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3cccnc3)C2)c(Cl)c1 335414565 FDQKJOCDEAPGGJ-HNNXBMFYSA-N 297.789 3.596 30 20 CHED Cc1c(F)ccc(Cl)c1C(=O)Nc1ccc(C#N)cc1 335692129 UPGYTMROHNLXDR-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1nn(C)c2cc(NC3CCC(C)(C#N)CC3)ccc12 336206682 BGFWLSKVKIDTQR-UHFFFAOYSA-N 282.391 3.766 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)c1ccc(C#N)cc1 336217661 WUHINXPDGXNLHT-IGEOTXOUSA-N 267.376 3.681 30 20 CHED C=CCC(C)(C)CN[C@@H]1C[C@H](OCC)C12CCC2 336796208 QLODEILKZBVHKE-KGLIPLIRSA-N 251.414 3.526 30 20 CHED CC[C@H](C)[C@H](C)N(CCCC1(C#N)CCOCC1)C1CC1 337127633 HALWUBHTLYZYHT-HOTGVXAUSA-N 292.467 3.986 30 20 CHED C[C@H](N[C@H](C)c1ccncc1F)c1ccc(C#N)cc1F 338019041 PEZZXEZCMKJBAE-WDEREUQCSA-N 287.313 3.643 30 20 CHED C=C1CCN(Cc2c(C(=O)OCC)oc3ccccc23)CC1 341991191 GBXAEAJRIDIUTM-UHFFFAOYSA-N 299.370 3.762 30 20 CHED Cc1nsc(NCCC2Cc3ccccc3C2)c1C#N 342774187 BURISFUMEPJZBY-UHFFFAOYSA-N 283.400 3.540 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@H]1CC12CCCCC2 344490095 BNQJWRBDELVKSR-CQSZACIVSA-N 276.424 3.745 30 20 CHED CCC(C)(C)[C@@H]1CCc2nc(NC(=O)CC#N)sc2C1 345412970 OZTIOGFCRNKIJE-SNVBAGLBSA-N 291.420 3.536 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@H](Cc3ccccc3)C2)n1 346856506 WWSULZIIGWDSSU-QGZVFWFLSA-N 291.398 3.721 30 20 CHED CCN(C(=O)C[C@H](CC#N)c1ccccc1)C1CCCC1 347579368 DFPNGZHOKBASQW-INIZCTEOSA-N 284.403 3.865 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc(Cl)cc1 348170146 QVOGWQCHPVPFPW-UHFFFAOYSA-N 279.771 3.791 30 20 CHED C=C(CNC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 348241799 HLRRIMCYNGVGJW-UHFFFAOYSA-N 291.354 3.588 30 20 CHED CC(F)(F)c1cccc(-c2noc(CSCC#N)n2)c1 351167509 MXZDKWRPNZAFHB-UHFFFAOYSA-N 295.314 3.605 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2cc(C#N)cs2)C1 353125400 BBDOCEHHMSFCQY-HNNXBMFYSA-N 282.412 3.918 30 20 CHED C=CCCC1(C(=O)NCCc2c[nH]c3ccccc23)CC1 353304945 LXBNNLGLWKTRHM-UHFFFAOYSA-N 282.387 3.573 30 20 CHED N#CC[C@@H](CC(=O)Nc1ccc(F)cc1)c1ccccc1 353342671 IGGBWAWEZDBASO-AWEZNQCLSA-N 282.318 3.852 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 354748435 QFSVDUOLYRPXSP-UMVBOHGHSA-N 255.365 3.724 30 20 CHED C=CCOc1cccnc1-c1nc([C@H]2CCC[C@@H](C)C2)no1 356190995 JMXXIUMHHKNBOR-OLZOCXBDSA-N 299.374 3.990 30 20 CHED C=CCCC1(C(=O)Nc2cc(OC)ccc2F)CC1 356341961 CGQFOEIMMUKIAL-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cccc3cnccc23)no1 356661133 CEEFKRZGHVQONY-LBPRGKRZSA-N 295.342 3.939 30 20 CHED C=CCN(CCC#N)C(=O)CCC(C)(C)c1ccccc1 359400167 ISWFYJKYZHCWPP-UHFFFAOYSA-N 284.403 3.673 30 20 CHED CC#CCCCC(=O)Nc1cnn(CC(C)C)c1C1CC1 359751445 NGQBFXWMFVPVNA-UHFFFAOYSA-N 287.407 3.549 30 20 CHED N#Cc1c(CN(CC2CC2)C2CCC2)cn2ccccc12 361581630 HGIWHAJYNXCNGC-UHFFFAOYSA-N 279.387 3.575 30 20 CHED C=C[C@H](C)NC(=O)Nc1cnn(C(CC)CC)c1CC 362268397 ZGMNZTYUWGPHGZ-NSHDSACASA-N 278.400 3.503 30 20 CHED N#Cc1cc(NC(=O)c2cc(F)cc(Cl)c2)ccc1F 362499248 UJCSRPASDZXQMX-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1ccc([C@]2(C)CCN(CCCCC#N)C2)cc1 364849204 RRSCVUNYKKBMLE-QGZVFWFLSA-N 256.393 3.652 30 20 CHED N#Cc1ccc(CNCc2cccc(-c3cccnc3)c2)cc1 370736912 BPUREANGYGHMCN-UHFFFAOYSA-N 299.377 3.910 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)O)cc1C 398221726 OBJRIZXUVWPWIG-GFCCVEGCSA-N 290.363 3.560 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(O)ccc1Cl 398257260 QVZUXWDLELLYHR-JTQLQIEISA-N 267.756 3.520 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(F)cc1C#N 402562350 MEEZZAZCPLURDM-MRVPVSSYSA-N 288.244 3.614 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCC(F)(F)C1 409631955 MTQYRKKEQUHDJL-QWHCGFSZSA-N 288.382 3.856 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccc(F)cc1)C(C)C 410220910 UMBORFNYKGBZSI-WFASDCNBSA-N 278.371 3.787 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(OC)cc(Cl)c1F 412321006 XNBVLQJSETZFPH-SECBINFHSA-N 285.746 3.572 30 20 CHED C[C@@H]1C[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)O1 413530476 JZUYRTWVNWSDEK-CKYFFXLPSA-N 298.308 3.802 30 20 CHED CC(C)(C)C[S@@](=O)CCC1(C#N)CCCCC1 414244366 QANRNHQNKAHXGU-KRWDZBQOSA-N 255.427 3.645 30 20 CHED N#CC1(CC[S@@](=O)c2cccc(F)c2)CCCCC1 414246348 NDAOSWJWXDEARA-LJQANCHMSA-N 279.380 3.797 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(-c2ccccc2Cl)on1 419195122 UOZKVORNRDHDKH-LLVKDONJSA-N 289.766 3.586 30 20 CHED CC[C@@H](C)CN(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419656215 ZAUKTJDBPVVLLQ-DYVFJYSZSA-N 299.418 3.623 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@]12CCC[C@H]1C2 421458043 KRGMLVODMQQHRW-DOTOQJQBSA-N 261.409 3.772 30 20 CHED C=CCc1cccc(F)c1OCc1csc(COC)n1 424106905 YHMKLTVROSKFCZ-UHFFFAOYSA-N 293.363 3.736 30 20 CHED C[C@H](SCc1nc(C(F)F)no1)c1ccc(C#N)cc1 424123424 MFRLVLFWRBRHQZ-QMMMGPOBSA-N 295.314 3.873 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N(CCC#N)CC(C)(C)C 424640473 AYPNAHJIQHNHBE-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED CC1(C)CCCCN(Cc2cccc(F)c2C#N)C1 428486532 ULCOZDOZZLWEMM-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CC(C)C[C@@H](C)CC(=O)N1CCCC(C)(C)[C@H]1C#N 434029851 FCGUSHDGFSADJX-ZIAGYGMSSA-N 264.413 3.599 30 20 CHED C[C@@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)C(C)(C)C 434030829 JDOUIZBLLKRZEJ-QWHCGFSZSA-N 264.413 3.599 30 20 CHED C=CC[C@H]1N(C(=O)c2ccccc2O)CCCC1(C)C 436815584 LQQUALQXHJQUCB-OAHLLOKOSA-N 273.376 3.599 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CC1CCC(C)(C)CC1 437489207 GODQQVRODXOABX-DOTOQJQBSA-N 293.451 3.690 30 20 CHED CC1=C(C(=O)N[C@](C)(C#N)CCc2ccccc2)CCC1 437653037 HPBILZLZZNBHDB-SFHVURJKSA-N 282.387 3.518 30 20 CHED CCc1ccc(C(C)(C)NC(=O)c2cc(C#N)cs2)cc1 438086906 VQCKWLLNYJFOEJ-UHFFFAOYSA-N 298.411 3.847 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 440454175 PXMIAZWUFHMUAL-UHFFFAOYSA-N 276.767 3.976 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccccc1SC 441043440 UDIHGOAZGGVVSC-LBPRGKRZSA-N 278.421 3.687 30 20 CHED CCc1ccc(C(C)(C)CN[C@@H]2CC[C@H](C#N)C2)cc1 442799205 ZQZMVICJFKMBJJ-DOTOQJQBSA-N 270.420 3.808 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(C(F)(F)F)c2)C1 442860483 BPWBPVOKMPXCCJ-SKDRFNHKSA-N 254.255 3.810 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)C(F)(F)F)C1 442871296 LJVLIKKPDZXZLX-ICCXJUOJSA-N 286.272 3.711 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(O)CCC(C(C)(C)C)CC1 442982319 LGRWKXDNQWMGPF-GMXGEUMGSA-N 295.467 3.672 30 20 CHED N#Cc1nc(N2CCC[C@@H]3CCC[C@H]32)ccc1C(F)(F)F 443513896 YCEFSWBWLJOILI-GXFFZTMASA-N 295.308 3.741 30 20 CHED CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 447581553 VDBJLZFRAVYLLO-QGZVFWFLSA-N 295.342 3.707 30 20 CHED Cc1cnc([C@@H](NC2CCC(C)(C#N)CC2)C2CC2)s1 449171343 TUMABYQHBWVUAZ-BBBYJDLNSA-N 289.448 3.965 30 20 CHED CC#CCCNCc1cnc(-c2c(F)cccc2F)s1 449221925 BQKTUFJJDUWGJL-UHFFFAOYSA-N 292.354 3.591 30 20 CHED C=CCC1(CNCc2scnc2C)CCCC1 449603618 HPDQEXGNRLNDIO-UHFFFAOYSA-N 250.411 3.678 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2ccncc2)CCCCC1 450057851 PRPLOCGQDSKTFO-OAHLLOKOSA-N 286.419 3.655 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)CC1(C#N)CCC1 450441691 RFNDRHCBKVXADR-INIZCTEOSA-N 256.393 3.633 30 20 CHED C=C(C)CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 450773572 AYNQOXSPMYIPBM-HZPDHXFCSA-N 257.377 3.653 30 20 CHED Cc1cc(CN2CCC[C@@H](c3ccncc3)C2)ccc1C#N 451008236 WPSXEIWRXPUJAB-LJQANCHMSA-N 291.398 3.641 30 20 CHED C=CCN(C)C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 456028876 TWJLIVUDIWXPQT-SNVBAGLBSA-N 271.282 3.610 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 456281051 NQIXTDLKSWSPNL-AEFFLSMTSA-N 297.398 3.512 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(C#N)ccc1Cl 457248508 HRQAFNPFFWZZRF-BZNIZROVSA-N 290.794 3.910 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1ccccc1)C1CC1 458983319 CPKWWPWZUJAKDI-UHFFFAOYSA-N 272.392 3.573 30 20 CHED Cc1cc(CNCC(C)(C)CC#N)cc2cccnc12 459737123 VRWAZIQEJNUURA-UHFFFAOYSA-N 267.376 3.573 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CCCC[C@@H]1CC 460557100 HZLFKTCPHWMCKP-HNNXBMFYSA-N 290.455 3.822 30 20 CHED C=C1CCN(C(=O)c2cccc(OCC=C(C)C)c2)CC1 461112601 KTSPNIOTICYIRW-UHFFFAOYSA-N 285.387 3.824 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)cc1-n1cccc1 466243553 HZMLQXRGMYTCEZ-UHFFFAOYSA-N 284.334 3.749 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]2Cc2ccccc2)c1 466479154 QORQVGADSNRTMZ-CABCVRRESA-N 293.326 3.510 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1ccc(F)c(C#N)c1 469510109 HWLPSPQOIRWQSZ-LBPRGKRZSA-N 276.355 3.642 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC(=C)C)Cc1ccccc1 470645143 UFNMDCNHZHHWGU-MRXNPFEDSA-N 287.403 3.573 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccsc1 470648525 DXPSVSMPMLGVLN-UHFFFAOYSA-N 285.412 3.896 30 20 CHED C=CCCCCNC(=O)c1ccc(OCC2CC2)cc1 471717396 PZKSDKMMCVLWBO-UHFFFAOYSA-N 273.376 3.562 30 20 CHED C=CCCCCN[C@H](C(=O)OC)c1ccccc1Cl 471880353 NSCPCHFQSBKZDU-AWEZNQCLSA-N 281.783 3.500 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CCC[C@@H](C)C1 474083705 XLXJODGUXIOSDT-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C=C(C)[C@H](NC(=O)NC1CC(C)C1)c1ccc(F)c(F)c1 477194556 SCKXPXVAWNTSHS-QHAMSDLMSA-N 294.345 3.680 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(C)cc1Cl 482718002 QPLDJPPGYBQWEN-ZDUSSCGKSA-N 295.810 3.840 30 20 CHED N#Cc1cccnc1/C=C/c1cc(Cl)c2c(c1)OCCO2 486054696 QKHTTYAMKPEWLB-ONEGZZNKSA-N 298.729 3.548 30 20 CHED C[C@@H](Cc1ccncc1)Nc1cc(Cl)ccc1C#N 487638807 KSTJZGZATBWJRO-NSHDSACASA-N 271.751 3.650 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(CSC)cc1 488860128 TZLKKAXTZCDFST-OAHLLOKOSA-N 275.417 3.730 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1c(F)cccc1Cl 488869452 QGQIUKWKIJTMGL-LLVKDONJSA-N 281.758 3.589 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)nn1C(CC)CC 488873514 CMJPHATVMQWXQJ-OAHLLOKOSA-N 289.423 3.733 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cnn([C@H](C)CC)c1C 489068290 HJFVFSPMGNIMRT-OCCSQVGLSA-N 290.411 3.735 30 20 CHED C=CCN(CC#Cc1ccc(F)cc1)CCc1ccco1 491424409 UGNVTKZXSZZCQM-UHFFFAOYSA-N 283.346 3.501 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 491808458 VYSYCDPOZUQAAU-ZIAGYGMSSA-N 297.320 3.641 30 20 CHED C=CCN(C/C=C\c1ccncc1)Cc1ccc(OC)cc1 495170334 CPGVOPHFXZBAPG-PLNGDYQASA-N 294.398 3.792 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 497189997 ATWMNWIMWAUFFP-ZDUSSCGKSA-N 261.365 3.730 30 20 CHED CC#CCCNCc1cn(-c2ccccc2)nc1C(C)(C)C 499210462 GHSBDPFIXCUNDL-UHFFFAOYSA-N 295.430 3.673 30 20 CHED C=CCN(CC=C)Cc1cc(Cl)c(OCC)c(OC)c1 505894198 NEDFUGHXRFFQOD-UHFFFAOYSA-N 295.810 3.921 30 20 CHED Cc1cc(OCCc2c(C)noc2C)c(C)c(C)c1C#N 506419886 BHVVKVZXQOETEQ-UHFFFAOYSA-N 284.359 3.710 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(F)c(Cl)c1 507508290 IYOWEFVVWTWOCZ-LLVKDONJSA-N 284.762 3.633 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)C[C@@H](C)C1 508992592 ANGMANBRCVDGFD-ZIAGYGMSSA-N 290.455 3.535 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 520013474 MIRAYZFMCAZISB-KFWWJZLASA-N 281.440 3.689 30 20 CHED C=CCCCN1[C@H]2CC[C@H]1c1cnc(C(C)C)nc1C2 528584200 JQZSKHLTFHFYPK-BBRMVZONSA-N 271.408 3.628 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(F)c(F)c1C 529491727 BXFFGEOEJCHAAQ-UHFFFAOYSA-N 266.291 3.542 30 20 CHED Cc1c(Cl)ccc2ccc(N(C)C[C@H](C)C#N)nc12 537164969 UYEGSUCNBNONQH-SNVBAGLBSA-N 273.767 3.793 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(OCC)cc1 537189680 ZXQDIAXYBDONEW-AWEZNQCLSA-N 290.407 3.629 30 20 CHED C=CCCOCCN[C@@H]1c2cccc(F)c2CC[C@@H]1C 537952038 NUXMTFCTFAVWRB-GUYCJALGSA-N 277.383 3.631 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1C[C@@H](OCC)C1(C)C 540564950 UCMSQRFFBGUUBS-RRFJBIMHSA-N 296.455 3.576 30 20 CHED C=CC[C@@H](C)[C@H](C)NCCSCc1ccccc1C#N 541209048 CIQXAWFDAGWSND-CABCVRRESA-N 288.460 3.982 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Nc1cccc(C#N)c1 541585218 URUQDTRGDPJCSM-LBPRGKRZSA-N 258.365 3.959 30 20 CHED Cc1cc(C(F)(F)F)nc(Oc2ccc(C#N)cc2C)n1 541954140 FNQXLYIZXHLWNG-UHFFFAOYSA-N 293.248 3.776 30 20 CHED CC1(C)CC[C@@H](NC[C@@H](C#N)CCC#N)c2ccccc21 548788372 QNKBHMDYBFOUHN-RHSMWYFYSA-N 281.403 3.832 30 20 CHED CC(C)c1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)cn1 550350830 FGZUHHNFDKDLGV-GOSISDBHSA-N 299.418 3.797 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc3c(c2)CCC3)no1 551445402 SODCGYXSTWLVKV-UHFFFAOYSA-N 276.286 3.893 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](SCC)C1 551707182 WDFJCPMGFNKDKB-OLZOCXBDSA-N 269.454 3.769 30 20 CHED CC(C)n1cc(NCc2cccc(OCCCC#N)c2)cn1 556094175 SLPLJEGPDCFUSL-UHFFFAOYSA-N 298.390 3.759 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2cc3ccccc3s2)C1 556232273 IODUTPGZHCINFP-GXTWGEPZSA-N 270.401 3.726 30 20 CHED C=CCC[C@H](NC[C@@H]1CCO[C@H]1C(=C)C)c1ccco1 556880818 VHKBJRBUQDFNEE-ZOBUZTSGSA-N 275.392 3.858 30 20 CHED Cc1c(Cl)cnc(N(C)Cc2cccc(F)c2)c1C#N 561769276 NVSISSTWOYEKKU-UHFFFAOYSA-N 289.741 3.691 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@@H]1C=CCCC1 563692782 PHASXOPZKSMSJO-KDOFPFPSSA-N 294.398 3.798 30 20 CHED Cc1cc(S[C@@H](C)c2nc(C3CC3)no2)ccc1C#N 563886441 KUHNVDHLGXAYDG-JTQLQIEISA-N 285.372 3.980 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)C1CCCCC1 564380342 XDTNZLSFOHJOON-CYBMUJFWSA-N 276.428 3.747 30 20 CHED Cc1oc2ccc(NC(=O)[C@]3(C#N)C[C@H]3C)cc2c1C 565403839 XCWADBMPYSYGLC-ABKXIKBNSA-N 268.316 3.538 30 20 CHED N#Cc1cccc(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)O)c1 566495335 ZCJHRHGAWFUMAY-PKOBYXMFSA-N 289.334 3.514 30 20 CHED N#CCCNCC1(c2c(Cl)cccc2Cl)CCC1 567700046 DEVWTNFRNYGNGL-UHFFFAOYSA-N 283.202 3.918 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2oc3ccccc3c2C)no1 575025181 CWJKQWCFJOWPJN-INIZCTEOSA-N 281.315 3.983 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(OC)c(Cl)c1 575216455 UZNKPHVOSBQNHD-NSHDSACASA-N 253.773 3.965 30 20 CHED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1CCC1CCCCC1 576405550 BGVMZYVYEGLXKS-SJLPKXTDSA-N 293.451 3.665 30 20 CHED CSCc1ccc(Nc2snc(C)c2C#N)cc1 580248664 ILFMSUBWGYPERD-UHFFFAOYSA-N 275.402 3.930 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCc2cc(OC)ccc2C1 581247018 MLLSNPJGACVJCQ-UHFFFAOYSA-N 287.403 3.572 30 20 CHED N#Cc1c(F)cccc1SCC(=O)c1ccc(F)cc1 582100704 PQMBUSVPAUCEFH-UHFFFAOYSA-N 289.306 3.811 30 20 CHED C/C=C(/CC)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 588566382 IYEPASCQNLJZLF-BNCCVWRVSA-N 270.376 3.652 30 20 CHED COc1cc(N=Cc2cccc(OC)c2O)ccc1Cl 588610518 XTUTVFJELWVUAD-UHFFFAOYSA-N 291.734 3.813 30 20 CHED N#CCCCCCC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 590078474 WFDQWBYNGCPRJU-KOMQPUFPSA-N 288.366 3.662 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)c1cccc(C#N)c1 590646905 YFCTVXYAKYJOOI-NVPAJSRCSA-N 267.376 3.681 30 20 CHED CCn1nccc1-c1ccc(C2(C#N)CCC2)s1 592984997 DLEWFOHNPKKWQP-UHFFFAOYSA-N 257.362 3.577 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1ccc(C)cc1C)CC(C)C 593752441 LHYIVBXRKJLOAG-MRXNPFEDSA-N 286.419 3.838 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CCCCCC1 593940722 MJCREZQOHQYIJZ-CQSZACIVSA-N 284.403 3.576 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(C)(C)C)C1 594003962 JUGMXSXVNNHSMU-RHSMWYFYSA-N 298.430 3.631 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 594091179 ZHRVXIJGGVXOEB-JLSDUUJJSA-N 292.382 3.704 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H](c1cccc(Cl)c1)C(C)C 594097525 OIEJHYZALKRTMO-CABCVRRESA-N 292.810 3.840 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(Oc2ccc(F)cc2)nc1 596989451 AABRNBNMQXTWSQ-ZDUSSCGKSA-N 299.349 3.604 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2c(cnn2C(C)C)c1 599529774 PHUCYAKLTQJFJW-UHFFFAOYSA-N 298.390 3.886 30 20 CHED CC(C)O[C@@H](CNCc1cccc(C#N)c1)c1ccccc1 602508408 MLLCGIOYSSUTLD-IBGZPJMESA-N 294.398 3.814 30 20 CHED CC(C)(CNCc1cccc(C#N)n1)c1ccc(Cl)cc1 602517464 CFUYGTCNGAJPMZ-UHFFFAOYSA-N 299.805 3.674 30 20 CHED Cc1ccccc1[C@@H](NCc1cccc(C#N)n1)C(C)C 602561430 FLYVQCPZTGVGOP-SFHVURJKSA-N 279.387 3.749 30 20 CHED C[C@H](c1nc2ccccc2s1)N(C)CC1(CC#N)CC1 602781842 GDQRYJYMOXJEIR-GFCCVEGCSA-N 285.416 3.983 30 20 CHED COCc1cc(C#N)ccc1NC[C@@H]1CCCC1(F)F 603386896 LBKRZTYYSHJZOL-ZDUSSCGKSA-N 280.318 3.552 30 20 CHED N#CC1(C(=O)NCCCCCc2ccccc2)CCCCC1 609015103 IOFABCZBWSZHAL-UHFFFAOYSA-N 298.430 3.990 30 20 CHED C=CCCCNc1ccc(Cl)c(C(=O)OCC)c1 610132150 OJRFQUXRQCBVLD-UHFFFAOYSA-N 267.756 3.895 30 20 CHED N#Cc1cccc(CN2Cc3ccccc3C(F)(F)C2)c1 610989777 IEKBBTFYMFCLON-UHFFFAOYSA-N 284.309 3.666 30 20 CHED C[C@@H]1c2ccccc2OCCN1CC(C)(C)CCC#N 611262718 DFOCIHZFQYAMJL-CQSZACIVSA-N 272.392 3.772 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@@H]1CCc2ccccc21 611548997 FLLNTNGOVTXBII-SFHVURJKSA-N 276.383 3.720 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C12CC3CC(CC(C3)C1)C2 613363223 CNWOUVSAJKEXMJ-BMRMXDDPSA-N 288.435 3.647 30 20 CHED CCC(C)(CC)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 613402085 PRICEGQBYSKGJM-CYBMUJFWSA-N 278.783 3.847 30 20 CHED Cc1cncc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 613512263 BZZKYACCUARDIB-UONOGXRCSA-N 265.360 3.674 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 614816142 SVYTWIMAZKIUFR-RHSMWYFYSA-N 299.418 3.697 30 20 CHED Cc1ccnc(CSc2nc3c(cc2C#N)CCCC3)c1 616209551 QJVJPTIJZGAWBK-UHFFFAOYSA-N 295.411 3.828 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc3ccncc23)C1 618574045 MNSWWIRVRHKIGC-OCCSQVGLSA-N 251.333 3.729 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(F)cc1 618668155 QXGSOUGSHCRMEZ-INIZCTEOSA-N 295.317 3.506 30 20 CHED Cc1cc(C)cc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 618739746 RIFFXZPCVUGNHM-SFHVURJKSA-N 290.366 3.592 30 20 CHED COc1cc(CNC2(C)CCC(F)(F)CC2)ccc1C#N 619654653 KKSGEVYBGLZOEK-UHFFFAOYSA-N 294.345 3.624 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H]2CCCC(F)(F)C2)C1 664482743 SJOWDQSUMYUHKN-STQMWFEESA-N 286.366 3.562 30 20 CHED C=C(CNC(=O)c1cc2ccccc2o1)c1ccccc1 672482562 ARFTUNTXSIZKKE-UHFFFAOYSA-N 277.323 3.876 30 20 CHED C=CCC[C@@H](NCc1cccnc1OC(C)C)C1CC1 676637459 OCKKULJYPXNVRW-MRXNPFEDSA-N 274.408 3.703 30 20 CHED C=CCOc1ccc(CN2CCC[C@H]2C2CC2)cc1OC 678240088 SVOZITPJPDYPAO-INIZCTEOSA-N 287.403 3.634 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccc(O)cc1F 729932568 FQYSSMQUVVKVBY-UHFFFAOYSA-N 292.741 3.699 30 20 CHED C=C(Cl)COC(=O)C(C)(C)Cc1ccccc1OC 733027049 ZYAARKNFEVRNCS-UHFFFAOYSA-N 282.767 3.560 30 20 CHED CC(=NNC(=S)Nc1ccc(C)cc1)C1CCCC1 733077599 DVXUZCMCSRYZJC-UHFFFAOYSA-N 275.421 3.848 30 20 CHED CC[C@@H](OC(=O)c1ccc(C=NOC)cc1)c1ccccc1 733375455 VMXBMAQNRBNYFI-QGZVFWFLSA-N 297.354 3.975 30 20 CHED C#CCOc1cccc(NC(=O)Nc2cccc(CC)c2)c1 733633075 QAEADODQAIGDLU-UHFFFAOYSA-N 294.354 3.905 30 20 CHED C=CC[C@H](NC(=O)CCC1CCCC1)c1ccncc1 734234390 NBDUBYAHFYDHLA-INIZCTEOSA-N 272.392 3.785 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccccc1 734303000 YZLNQNOPYKRUMC-UHFFFAOYSA-N 264.250 3.940 30 20 CHED C=CC[C@@H](NC(=O)N(CCC)CC1CC1)c1ccncc1 734684475 SAQRRXYXERPSPE-MRXNPFEDSA-N 287.407 3.530 30 20 CHED O=C(/C=C/c1cc(C(F)(F)F)ccc1F)c1cnccn1 734750905 AKSVXQQXZWKQIE-DAFODLJHSA-N 296.223 3.531 30 20 CHED CCCCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 735791853 CLXVEGFNRDWFKW-LBPRGKRZSA-N 269.348 3.628 30 20 CHED COCC(=NNc1ccc(Br)c(C)c1)C(C)C 741461862 RSZOUKPAGKULSA-UHFFFAOYSA-N 299.212 3.828 30 20 CHED COc1cccc(F)c1C(C)=NN[C@H](C)c1ccccc1 741809810 JTDKYYOKIQRGDR-GFCCVEGCSA-N 286.350 3.909 30 20 CHED COc1cc(C#N)ccc1OC(=O)CCCC1CCCC1 742493353 FXYVQARCSPOINF-UHFFFAOYSA-N 287.359 3.833 30 20 CHED CC(=NNc1ccccc1F)c1ccc2c(c1)COC2 743434830 ZWWCGZNMAPCRHM-UHFFFAOYSA-N 270.307 3.692 30 20 CHED C[C@H](OC(=O)CC[C@@H]1CC[C@@H](C)O1)c1cccc(C#N)c1 744102244 QLKKWBVJFKOLSS-WWGRRREGSA-N 287.359 3.510 30 20 CHED C=C(C)CCOC(=O)c1ccc(OC)c2ccccc12 744304012 KHIWQKDRBAZSKW-UHFFFAOYSA-N 270.328 3.971 30 20 CHED N#CCOc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 746457273 NOXDENHXRHMMSM-GOSISDBHSA-N 278.355 3.536 30 20 CHED Cc1ccc(Cl)c(OC(=O)c2ccc(C#N)s2)c1 749310402 IQXFYHLUSHIMET-UHFFFAOYSA-N 277.732 3.801 30 20 CHED CON=C(C)[C@H](C)Oc1ccc(Cl)cc1Cl 749859418 UVSIYUVKSRYEFV-QMMMGPOBSA-N 262.136 3.783 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccccc1Cl 751516113 FHKKBTIPIVZXDV-NSHDSACASA-N 252.745 3.554 30 20 CHED C=CCN(C(=O)NCC(C)(C)CC(C)C)C(C)C 753042023 OHHSTXRJZBNSSX-UHFFFAOYSA-N 254.418 3.665 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@H](C)c3ccccc32)cn1 754604331 AXHARRCVKHEMFD-AWEZNQCLSA-N 290.366 3.607 30 20 CHED C=CCSCCNC(=O)c1ccc([C@H](C)CC)cc1 755247580 NSFFYTXHWXFFLZ-CYBMUJFWSA-N 277.433 3.849 30 20 CHED C#CCCCC(=O)N1CC(C)(C)c2c(Cl)cccc21 757898412 JQVVYTUVMCLTOA-UHFFFAOYSA-N 275.779 3.768 30 20 CHED CCCCCCCCCNC(=O)N[C@H]1CC[C@H](CO)CC1 759546664 SCVRDMLOZCOJQB-WKILWMFISA-N 298.471 3.587 30 20 CHED C=Cc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)cc1 760439127 BIJVQQRUQVLSSZ-UHFFFAOYSA-N 296.301 3.623 30 20 CHED C#CCCCCc1nc(CSCc2ccccc2)no1 762246500 WKLOPPATBUDPFL-UHFFFAOYSA-N 286.400 3.849 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1cc(C)c(F)c(C)c1 764155683 HGLAGKQSULLTPM-UHFFFAOYSA-N 299.301 3.542 30 20 CHED Cc1cc(C=NNCc2ccc(Cl)cc2)cnc1Cl 764717103 VEVSMXNXNPYDQJ-UHFFFAOYSA-N 294.185 3.821 30 20 CHED CC(C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1)=C1CCCC1 765948539 UXELTGFIWZJOQP-CQSZACIVSA-N 293.370 3.938 30 20 CHED C#Cc1cccc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 766444533 CMZZNJOUAMRYFO-UZLBHIALSA-N 290.410 3.600 30 20 CHED CCO[C@@H]1CCCC1=NN[C@@H](Cc1ccccc1)C(C)C 766477930 MUNIMKZXSULYLH-ZWKOTPCHSA-N 288.435 3.788 30 20 CHED CCCCCCCN1CCN([C@H](C)c2nccs2)CC1 767008438 ODGCYYAIUZJBPD-OAHLLOKOSA-N 295.496 3.792 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc(C)s1 768374565 HBEQPSDBILMNNU-UHFFFAOYSA-N 290.779 3.813 30 20 CHED C=CCN(Cc1cc(OC)c(OC)cc1SC)C(C)C 768548275 ZYILWSXUJBLDJK-UHFFFAOYSA-N 295.448 3.822 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H]1CC(=O)c2ccccc21 768891471 GZKPNJPOCJTWLJ-HNNXBMFYSA-N 299.370 3.620 30 20 CHED Cc1ccnc(NN=C(Cc2ccccc2)C(F)F)c1 769585799 PNAXDFKHWLGFOL-UHFFFAOYSA-N 275.302 3.666 30 20 CHED CCc1ncc(C=NN[C@H]2CCCCC2(C)C)s1 773127229 ZATDFRFTNNYICY-LBPRGKRZSA-N 265.426 3.598 30 20 CHED Cc1ccsc1/C=C1/CC(=O)Nc2ccccc2C1=O 774143057 AWFQUNNQROMYNJ-FLIBITNWSA-N 283.352 3.665 30 20 CHED CCC(C)(C)NC(=S)N(c1cccc(C#N)c1)C(C)C 774173954 MNSNXANXGAUFQB-UHFFFAOYSA-N 289.448 3.836 30 20 CHED CCc1nc(C)c(C(C)=NNCC(CC)CC)s1 774477746 OHGFLWWSMFVNJJ-UHFFFAOYSA-N 267.442 3.764 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCCN(C)CC1 775144826 WZRAPXYZYUGSQA-QGZVFWFLSA-N 296.499 3.927 30 20 CHED CCN(CC)c1ccc(C(=O)OCCC(C)(C)C#N)cc1 776370131 BPBUZSNCEQEKTM-UHFFFAOYSA-N 288.391 3.629 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CC[C@@H](C)C2)n1 776528276 NEXCNPMAKYUWEM-UTUOFQBUSA-N 276.405 3.879 30 20 CHED CC(C)(C#N)OC(=O)CCC(=O)c1ccc2ccccc2c1 779225937 PSSINMKHHQHJJQ-UHFFFAOYSA-N 295.338 3.648 30 20 CHED C=CCOc1cccc(CNc2cccc(OCC#N)c2)c1 779588231 JALKKSVWRGOKJL-UHFFFAOYSA-N 294.354 3.766 30 20 CHED CC1(C)CC(=NNCCOCC(F)(F)F)CC(C)(C)C1 779783227 LZOJLMAYCUEVDV-UHFFFAOYSA-N 294.361 3.747 30 20 CHED C#CCCCCCC(=O)NCCCc1c[nH]c2ccccc12 779905176 HTGARRNWWAHWSY-UHFFFAOYSA-N 296.414 3.800 30 20 CHED CC[C@H](C)[C@H](C)C(=O)OCc1ccc(C#N)cc1C 779990985 IMTVPZOEJBYEPE-AAEUAGOBSA-N 259.349 3.592 30 20 CHED CC/C(C)=C(/C)C(=O)N(CCC#N)c1ccc(F)cc1 780931769 CVFOWVANUPIITC-SEYXRHQNSA-N 274.339 3.819 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1ccnc(Cl)c1 782183800 DPJYBZCBMNBHNU-SNAWJCMRSA-N 279.673 3.909 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2cc(Cl)cs2)c1 782268822 YLYDFRGYRWXVOH-UHFFFAOYSA-N 297.170 3.768 30 20 CHED CC(C)c1ccc(C=NOCCOCC(F)(F)F)cc1 782308800 OWQLEDSYCYQQTO-UHFFFAOYSA-N 289.297 3.739 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2ncccc2[N+](=O)[O-])C1 783854457 SCKACBKHDVSBQI-RYUDHWBXSA-N 276.340 3.604 30 20 CHED CC(C)(C#N)CCCOC(=O)CCc1ccc(F)cc1F 784335696 NZJAODPNQTYMCC-UHFFFAOYSA-N 295.329 3.771 30 20 CHED C=CCC1(C(=O)OCc2csc([C@H](C)OC)n2)CCC1 784926613 FPUXHFYEERIHAB-NSHDSACASA-N 295.404 3.640 30 20 CHED C/C(C=NN[C@@H]1C[C@H]2CC[C@H]1C2)=C/c1cccc([N+](=O)[O-])c1 787163595 WFWIDTYMFYJZBO-SCELHYSGSA-N 299.374 3.762 30 20 CHED CC(=O)OCCCc1cccc(NC[C@@H](C)CCC#N)c1 787784214 WPRTUPCJTPOCQM-AWEZNQCLSA-N 288.391 3.534 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNCCc2ccncc2)cc1 789098195 PYOFVSLZIKXQPE-SFHVURJKSA-N 293.414 3.846 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccccc1Oc1ccccc1 789832915 DTKNVACFWKZGDJ-ZDUSSCGKSA-N 280.327 3.622 30 20 CHED CC[C@H](C)NN=Cc1ccc(-n2cnc3ccccc32)cc1 790181817 GFDNVVRKNSDQDF-AWEZNQCLSA-N 292.386 3.748 30 20 CHED CCOc1ccc(C(C)=NN[C@@H](C)CC)cc1OCC 790183118 OQKMJJJCYARWJF-LBPRGKRZSA-N 278.396 3.596 30 20 CHED C=CC[C@@H](C)C(C)=NNc1cccc(F)c1[N+](=O)[O-] 790307365 XEVOGRVXUZKOFH-SECBINFHSA-N 265.288 3.734 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)c1nc(C)no1 792178344 ZLMGSWNKALUIED-NEPJUHHUSA-N 253.390 3.778 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CC[C@@H](CO)CC1 793536867 YJEFJGLNEPTJQO-HRCADAONSA-N 253.430 3.652 30 20 CHED CSc1cccc(F)c1C/N=C/c1ccccc1O 794681261 RRJMMGSKTRBASZ-RQZCQDPDSA-N 275.348 3.872 30 20 CHED CC(=NNc1cccc(F)n1)c1cccc(C)c1C 795009906 OUTCMMLSKNUDMO-UHFFFAOYSA-N 257.312 3.674 30 20 CHED Cc1nc2cc(C(=O)O[C@@H](C#N)C3CCCCC3)ccc2o1 795680313 GEHWYMRDHOYXHB-INIZCTEOSA-N 298.342 3.766 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCc3cc(Cl)ccc32)o1 796154956 VLKLPFOQLMMGPU-CYBMUJFWSA-N 287.702 3.649 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)o1 796773496 BPTOYIZGMWSUHH-FRRDWIJNSA-N 273.332 3.667 30 20 CHED C[C@H]1CCC[C@@H]1CNCc1ccc(N(C)CCC#N)cc1 798503178 DIDRYHANOMRSLA-DOTOQJQBSA-N 285.435 3.562 30 20 CHED C#C[C@H](NC(=O)N1CCC(c2ccccc2C)CC1)C(C)C 798552660 KRVJUEGFUGGBBY-SFHVURJKSA-N 298.430 3.542 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CCCc2ccccc21 799429768 YNFRGIFDSIGFLH-QXMHVHEDSA-N 288.350 3.551 30 20 CHED C[C@H](C=Nn1c(S)nnc1-c1ccccc1)C(C)(C)C 800806317 DKUDDCIBXSEMHE-LLVKDONJSA-N 288.420 3.750 30 20 CHED C[C@H](C#N)OCCSC1=Nc2ccccc2CS1 801656126 VPPFYRSJONXMPI-SNVBAGLBSA-N 278.402 3.583 30 20 CHED C[C@@H](C#N)OCCN[C@H](c1ccc(F)cc1F)C(C)(C)C 801938957 LRSBVUMCQITXES-XHDPSFHLSA-N 296.361 3.570 30 20 CHED C=CCCCCCCNC(=O)c1cc(C(C)C)on1 805220178 GMQNYZRLLCPTGW-UHFFFAOYSA-N 264.369 3.664 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2cc(OC)ccc2c1 806616848 MJBSGEIWOLJIPL-UHFFFAOYSA-N 290.750 3.722 30 20 CHED C=CCCCCCCCCNC(=O)N1CCCCO1 807592923 VSTARUFVOGQSNX-UHFFFAOYSA-N 268.401 3.640 30 20 CHED COc1ccccc1C(C)=NNc1ccc([N+](=O)[O-])cc1C 807990038 RZBLIXPHRZIEEG-UHFFFAOYSA-N 299.330 3.748 30 20 CHED CC1(C)C(=NN[C@H]2CCSC2)C[C@H]1c1ccccc1 808002195 WJKWDFPTCZPOSD-KBPBESRZSA-N 274.433 3.651 30 20 CHED C#Cc1ccc(CN[C@@H]2COc3c(Cl)cccc32)cc1 809627654 YYBWEUFWUFDHIY-MRXNPFEDSA-N 283.758 3.545 30 20 CHED C#CCOc1ccc(CN(C)[C@@H](CC)c2ccncc2)cc1 809766509 ZNPUTBWRYAOCFV-IBGZPJMESA-N 294.398 3.677 30 20 CHED C#C[C@@H](NCc1ccc(OCCC)c(OC)c1)C(C)(C)C 809781462 RRQZCWMTOXQHRN-QGZVFWFLSA-N 289.419 3.622 30 20 CHED CCCCCCCCCn1nc(C2CC2)ccc1=O 810012309 XPIQOBDGCFJMFZ-UHFFFAOYSA-N 262.397 3.871 30 20 CHED C=CCCCCOC(=O)[C@@H](C)c1cccc(OC)c1 811010991 KMQFYXSVTHFWFX-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C)cc2C)cc1O 811697964 IXVOGNLMJDZEQH-SOFGYWHQSA-N 282.339 3.914 30 20 CHED C#C[C@H](NC(=O)CCC(C)(F)F)c1ccc(Cl)cc1 811949677 LJGPRZGQCBYEDK-LBPRGKRZSA-N 285.721 3.566 30 20 CHED N#CCCCC(=O)OCCCc1ccc(C(F)(F)F)cc1 812617290 KXMFAJNFBLBEFV-UHFFFAOYSA-N 299.292 3.875 30 20 CHED CC(C)[C@@H](C)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813210996 BYMJCOOCLZAJFR-MWLCHTKSSA-N 284.281 3.569 30 20 CHED c1ccc2c(c1)OCC2=NNc1nc2ccccc2s1 814686591 QDIYTILAROXSAY-UHFFFAOYSA-N 281.340 3.505 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(C)nc1C 814693385 MTGSBPTWDRVSLR-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CC(Cc1ccc(O)cc1)=NNCCCc1ccccc1 814837555 ATHCNHAOJVHNPO-UHFFFAOYSA-N 282.387 3.533 30 20 CHED Cc1cc(NN=C2CC[C@@H](c3ccccc3)C2)ncn1 814845976 BFRGPGYVNRDDSK-CQSZACIVSA-N 266.348 3.521 30 20 CHED Oc1c(C=NOC/C=C/Cl)ccc2ccccc12 814933882 DMVXBPNTLILOHE-LLJUOEEHSA-N 261.708 3.648 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccccc1 820604661 GLDXWHMADLOELF-BHYGNILZSA-N 284.403 3.581 30 20 CHED C#Cc1ccc(CNc2cnn(CCC)c2C2CC2)cc1 824630230 LQLCLVBXFRPYJH-UHFFFAOYSA-N 279.387 3.764 30 20 CHED CCOCOc1ccc(CNc2cc(C)cc(C#N)c2)cc1 825289999 MFWORIDLUADHKZ-UHFFFAOYSA-N 296.370 3.852 30 20 CHED CCCCN(C(=O)C#Cc1cccs1)[C@@H](C)CC 825777228 RYRDIXMYHKKWJG-ZDUSSCGKSA-N 263.406 3.527 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1 833309528 AEWKARJMDKIVLI-VMPITWQZSA-N 288.249 3.559 30 20 CHED CC[C@H](C)[C@@H](C=NNc1nc2ccccc2s1)OC 834914201 MRCVYAUTKVQNKQ-CMPLNLGQSA-N 277.393 3.755 30 20 CHED CC1(C)CC=C(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)CC1 835034405 AMDARPZPXSLUFR-CYBMUJFWSA-N 293.370 3.876 30 20 CHED CC/C(C)=C\C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 835454812 JAECBFFDIRMIKC-WDDYJBPVSA-N 282.265 3.633 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@]1(C)CC1(Cl)Cl 838681693 LLMCQHWKIJUYSQ-GFCCVEGCSA-N 293.238 3.568 30 20 CHED C[C@@H]1C[C@@H](/N=C/c2c(O)ccc3ccccc23)CS1 840712025 UXUXHLPNBOZAJN-FZIHFEGISA-N 271.385 3.858 30 20 CHED Cc1nc([C@H](C)ON=Cc2ccc(C(C)(C)C)cc2)no1 842018568 QIYQCZOQLLUXKI-NSHDSACASA-N 287.363 3.787 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 842333636 KOFSDNYEHOWTAO-CPUCHLNUSA-N 271.360 3.662 30 20 CHED C#CC1CCN(C(=O)[C@H](CC)C2CCC(C)CC2)CC1 843705461 HXTPXDYZSPVXGB-BDVYOWHSSA-N 275.436 3.711 30 20 CHED C=C[C@@H](OC(=O)c1cnc2n1[C@H](C)CCC2)C(C)(C)C 845554025 CWXBIIZSFQHNPK-DGCLKSJQSA-N 276.380 3.538 30 20 CHED C=C[C@H](C)ONC(=O)C[C@H](C)Cc1ccc(Cl)cc1 846549163 NELKHRRQEPVHIQ-NEPJUHHUSA-N 281.783 3.531 30 20 CHED CCOc1ccccc1C=NOCCOc1ccc(C)cc1 849811973 OULBWYVAIJSKAL-UHFFFAOYSA-N 299.370 3.823 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ncccc1F 851141921 DZTGDQZLEAOARV-DGCLKSJQSA-N 263.312 3.512 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc(OC(F)F)c1 851213656 SQOWNTXXMUQBGC-JTQLQIEISA-N 297.301 3.773 30 20 CHED FC(F)(F)c1ccc(NN=C2CCCn3nccc32)cc1 853322878 HGKPORHAJDWBTL-UHFFFAOYSA-N 294.280 3.512 30 20 CHED CC(C)c1cccc(C=NN[C@H]2CCOC(C)(C)C2)c1 853336361 WZCRULULUDTMBN-INIZCTEOSA-N 274.408 3.691 30 20 CHED CSCC1(Cc2noc(-c3ccc(C)c(C#N)c3)n2)CC1 854094398 OSSZQBHINFJIRH-UHFFFAOYSA-N 299.399 3.602 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(C1CC1)[C@@H](C)C#N 855585109 ZCGGHVCDOZMHQK-UONOGXRCSA-N 264.413 3.886 30 20 CHED CC/C(=C/C(=O)N(CC)[C@H](C)C#N)c1ccc(C)cc1 856075956 SXECULVOEAINRR-ADVGAGMGSA-N 270.376 3.549 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cccc(O)c1F 872070543 FYQHMULWPSXMFT-LLVKDONJSA-N 264.344 3.512 30 20 CHED C#CCCCCCC(=O)Oc1cccc(C(C)=O)c1F 873639828 SYDGYAQQNUJSNG-UHFFFAOYSA-N 276.307 3.517 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)c1cccc(C)c1F 876315147 PUPOODMRISYUMT-UHFFFAOYSA-N 286.306 3.574 30 20 CHED CCC[C@H](C)N(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 877953410 MHSPPDAVVUUFLG-MAUKXSAKSA-N 286.419 3.547 30 20 CHED C=CC(C)(C)CC(=O)NCc1cc(-c2ccccc2)on1 878612787 WPVBHPLCZHDWJB-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(F)c(F)c(F)c1F 880677705 CCOGGGZLOOGWRR-UHFFFAOYSA-N 290.260 3.577 30 20 CHED Cc1cnc(Cl)c(C(=O)O[C@H](C#N)C2CCCCC2)c1 885110660 BDAFCTBSTXXIJN-CYBMUJFWSA-N 292.766 3.673 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]([C@H](C)CC)C(F)(F)F 890265563 RKKFAJOFASSKJH-MWLCHTKSSA-N 265.319 3.682 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc(CC(F)(F)F)s1 894092359 YZEAZUPFZJLSNN-JTQLQIEISA-N 290.354 3.788 30 20 CHED C=C1CC(c2noc(-c3ccc(OCC)c(OC)c3)n2)C1 896890753 WCFYPAXOISUYCQ-UHFFFAOYSA-N 286.331 3.578 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1cncn1C(C)C 901473589 LDLPRYSOHCPGDD-FNORWQNLSA-N 272.323 3.808 30 20 CHED N#CC1(CCCCOc2cccnc2Cl)CCC1 901493389 GYTCEDSEMZQALL-UHFFFAOYSA-N 264.756 3.978 30 20 CHED CC[C@@H](NCc1cccc(OC)c1)c1cccc(C#N)c1 902727021 WPRXGQSYQSRNIU-GOSISDBHSA-N 280.371 3.808 30 20 CHED CC(C)C[C@@H](NCC(C)(C)C#N)c1cccs1 903100758 WZRRQJXAWZPBRO-GFCCVEGCSA-N 250.411 3.975 30 20 CHED C=C[C@@H](CC)Cc1nc(C2(CCOC)CCCC2)no1 904097444 ZMJDQEXHKPFRPI-ZDUSSCGKSA-N 278.396 3.673 30 20 CHED C#CCCCCCC(=O)N(c1nc2ccccc2o1)C1CC1 905883329 UKWUWZHAIXRUFY-UHFFFAOYSA-N 296.370 3.907 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1-c1cc[nH]n1 911941989 CCHUYOMPVDIFFX-UHFFFAOYSA-N 281.359 3.599 30 20 CHED Cc1cc([C@@H]2CCCN2c2cccc(Cl)c2C#N)no1 913046922 CMPZEYBRGOQJGD-HNNXBMFYSA-N 287.750 3.850 30 20 CHED C=CCc1ccccc1OC[C@H]1COc2ccccc2O1 915667307 NTGGWBIMSDRJMH-HNNXBMFYSA-N 282.339 3.634 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1cc(C)sc1C 916240441 CIAYUVMKQNLRCO-UHFFFAOYSA-N 288.372 3.899 30 20 CHED c1ccc(CNN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 916344418 VYRCCVPUQZUACX-UGUYLWEFSA-N 254.377 3.588 30 20 CHED C=C(C)COC(=O)c1cc2ccccc2cc1OC 916588084 RWYHAPVIOFIFLO-UHFFFAOYSA-N 256.301 3.581 30 20 CHED CCCOc1cccc(C=Nn2cnc3ccccc32)c1 917541135 PIGQZTVIXXUPJR-UHFFFAOYSA-N 279.343 3.707 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccc(Cl)cc2)c1 920943589 RKSFFBPFJQQBHO-YVLHZVERSA-N 275.735 3.673 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCO[C@@H](c2ccccc2)C1 926179696 GEWYKRMWQZSUSR-DJIMGWMZSA-N 286.419 3.825 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1cn(C)cn1)c1ccc(F)c(F)c1 926205572 GBKQTJRYTNSNSP-ZBEGNZNMSA-N 291.345 3.666 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1OCCCOC 930491979 AHMKWBOAAYUOSD-CQSZACIVSA-N 291.391 3.643 30 20 CHED CCCCC[C@@H](C)NC(=O)CC#Cc1ccccc1 1116266667 JGFYSWAHRLVZHG-OAHLLOKOSA-N 257.377 3.513 30 20 CHED N#CCc1cccc(N2CCC(c3ccccc3F)CC2)n1 1116661776 JKRSDIGTTJXOOG-UHFFFAOYSA-N 295.361 3.671 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1c(C)nn(C(F)F)c1C 1122822142 WVTUVCSUAPCUNQ-NSHDSACASA-N 286.322 3.541 30 20 CHED COc1cc(C)cc(NC(=O)c2cc(C#N)ccc2F)c1C 1131974602 JVKSEBIPJBDURS-UHFFFAOYSA-N 298.317 3.575 30 20 CHED Cc1cc2c(NCCc3ccc(C#N)cc3)ncnc2s1 1156831279 SXZCIHXSPPRGCP-UHFFFAOYSA-N 294.383 3.526 30 20 CHED COc1ccc(C[C@H](C)CNc2cccc(C#N)c2)cc1F 1180488227 FDAPYXUGCPQUGT-ZDUSSCGKSA-N 298.361 3.997 30 20 CHED Cc1nsc(N[C@@H]2CCC[C@@H](C(C)C)C2)c1C#N 1185298715 KYDXEBLGXPORHE-VXGBXAGGSA-N 263.410 3.950 30 20 CHED CC[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2OC)C1 1196175927 NLXSESTUJDQNFB-ZIAGYGMSSA-N 272.392 3.577 30 20 CHED Cc1ccc(NN=Cc2ncccc2C)cc1Cl 1254416487 ATRMUJQTPVBVME-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CC1(C)C[C@H](Nc2cccc(CC#N)n2)c2ccccc21 1255103769 PAMLKSGETOJEOU-INIZCTEOSA-N 277.371 3.982 30 20 CHED C=C(CC)C(=O)N(CC)Cc1ccccc1Cl 1263706155 UIROSFXAWHZMCM-UHFFFAOYSA-N 251.757 3.655 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2csc(C#N)c2)cc1 1266019206 UHXULIDICXJZDZ-NSHDSACASA-N 271.341 3.846 30 20 CHED CC(C)CC(CC(C)C)NC(=O)Nc1cccc(C#N)n1 1310924097 UIEBLQUEGBVQDO-UHFFFAOYSA-N 288.395 3.536 30 20 CHED C#CCN(CC)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 1324600508 VKHNKOBLMMQZDS-UHFFFAOYSA-N 283.415 3.713 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3CC34CCSCC4)o2)cc1 1327038606 IPQXXOGBZRSBLJ-ZDUSSCGKSA-N 297.383 3.609 30 20 CHED N#Cc1cc2ccccc2nc1NCCCC(F)F 1334303972 JCAJZMVENMPGNY-UHFFFAOYSA-N 261.275 3.564 30 20 CHED COc1cccc(/C=N/Cc2ccc3c(c2)CCC3)c1O 1337446271 MJKYORPQZAZZEH-XDHOZWIPSA-N 281.355 3.509 30 20 CHED CC[C@H](C#N)N(CC)C(=O)/C(C)=C\c1ccc(C)cc1 1340891219 HBFWEPFKOQAXSU-SYCZXOQXSA-N 270.376 3.549 30 20 CHED C=C(CC(C)C)C(=O)NCC1CCC(F)(F)CC1 1347545309 UNNNHMVPEXUWTQ-UHFFFAOYSA-N 259.340 3.530 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(OCCCC#N)c1 1355216978 XUGVCLIWOHQRRO-AWEZNQCLSA-N 286.375 3.910 30 20 CHED CC(C)c1occc1C(=O)Nc1cc(C#N)c(F)cc1F 1438613094 WNWNQZARFWFYGA-UHFFFAOYSA-N 290.269 3.805 30 20 CHED CC(C)c1cc(NC(=O)[C@@H](C#N)CCc2ccccc2)no1 1465491126 IOEJEQYTIJGCAR-CQSZACIVSA-N 297.358 3.509 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccc(F)cc1 1469510711 GQWGIAWCVPOHTA-CQSZACIVSA-N 291.370 3.516 30 20 CHED CC(C)c1cccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c1 1516861613 XCVWGOVLXYXYFG-SWLSCSKDSA-N 257.333 3.659 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1ccc(-c2cccc(F)c2)s1 1523779954 QFOJNTDUDHODBS-JTQLQIEISA-N 288.347 3.538 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)C[C@@H](C)c1ccco1 1525833011 JBKXHLVYWHRIIR-CABCVRRESA-N 297.354 3.542 30 20 CHED CC1(c2ccccc2)CCC(N=c2cc[nH]c(C#N)c2)CC1 1559138006 UPYSUHIIRGQZCK-UHFFFAOYSA-N 291.398 3.688 30 20 CHED CCN(Cc1cc(C#N)ccn1)c1cccc(Cl)c1 1559605534 VILSCIJCKLMVET-UHFFFAOYSA-N 271.751 3.633 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)Nc2sccc2C#N)C1 1563023412 GFWHROJBLLLQCW-LBPRGKRZSA-N 291.420 3.910 30 20 CHED CC1(C)C(C(=O)N2CCCc3cc(C#N)ccc32)C1(C)C 1583467851 VRUVMOSFWFHEOT-UHFFFAOYSA-N 282.387 3.520 30 20 CHED Cc1ccc(COC(=O)c2ccc(C)c(C#N)c2)c(C)c1 1585277586 WOQIHNJVQASVEY-UHFFFAOYSA-N 279.339 3.841 30 20 CHED C=CCCC[C@H](NC(=O)CC1CCC(C)(C)CC1)C(=O)O 1602863095 LCDQJOSASDNHTA-AWEZNQCLSA-N 295.423 3.519 30 20 CHED CC(C)(CC=NNc1ccc(C(F)(F)F)cc1)C(=O)O 1603591344 HMLUBHJTZDFIAO-UHFFFAOYSA-N 288.269 3.604 30 20 CHED CCCCCCC[C@H](C)CNc1cnc(C(=O)O)cn1 1605267376 UQRZMDGLDUQAFJ-LBPRGKRZSA-N 279.384 3.583 30 20 CHED CN(Cc1c(F)cccc1F)c1nc(C#N)c(Cl)s1 1612429174 QWUWHTJLMMVSKI-UHFFFAOYSA-N 299.733 3.583 30 20 CHED Cc1nc(NC[C@@H]2C[C@H]2C2CCC2)c(Cl)cc1C#N 1640063889 RNQAIWRRASYVNX-STQMWFEESA-N 275.783 3.763 30 20 CHED COc1ccccc1SCC(=O)[C@H](C#N)c1ccccc1 1640883868 RAXOABCIRLKKLF-CQSZACIVSA-N 297.379 3.664 30 20 CHED CCCC1CCC(N(C)c2ccnc(C#N)c2)CC1 1655445629 VRHMOLKCQHQTEN-UHFFFAOYSA-N 257.381 3.748 30 20 CHED N#CCc1cccc(Nc2nc3ccccc3nc2F)c1 1655483920 MRNFQXJMZABNOP-UHFFFAOYSA-N 278.290 3.579 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)c1nccc2ccccc12 1664166437 AVCQEDHXVULXSZ-JSGCOSHPSA-N 253.349 3.578 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CC[C@@H](C)[C@H]1C 1705753421 ZZRIIGQVRFJMET-ZYHUDNBSSA-N 294.830 3.533 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)C1CC2(CCC2)C1 1776014127 IAVPHZVWTMOAES-UHFFFAOYSA-N 272.348 3.753 30 20 CHED Cc1ccc([C@H](C)C=NNc2ccccc2C(=O)O)cc1 1776031302 ZBOYPJLDEOOVFA-CYBMUJFWSA-N 282.343 3.895 30 20 CHED Cc1c(NN=C2CC(C(C)(C)C)C2)cccc1C(=O)O 1776088473 OEZNYNKGBDVLEO-UHFFFAOYSA-N 274.364 3.917 30 20 CHED O=C(O)c1ccc2scc(C=NOC3CCCC3)c2c1 1776112153 YQUDVKQXRZXXBC-UHFFFAOYSA-N 289.356 3.893 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1C(=O)O 1776114494 RDYHBWLNZHQVKM-UXBLZVDNSA-N 296.322 3.598 30 20 CHED C=CCC1(C(=O)O)CCN(CC[C@@H]2CCC[C@@H](C)C2)CC1 1776160693 VLTKEWFXGUDKAH-CVEARBPZSA-N 293.451 3.946 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(Cl)s2)o1 1777433850 ZUCABJUTTINHQP-ARJAWSKDSA-N 296.731 3.897 30 20 CHED CSc1ccccc1C(=O)OCc1cccc(C#N)c1 7431568 FXINAHHDBIJRIU-UHFFFAOYSA-N 283.352 3.637 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)Cc2ccccc21 7742099 VMUBXAXHUBOVNG-PKNBQFBNSA-N 256.251 3.787 30 20 CHED Cc1ccc(F)cc1NC(=O)CCc1ccc(C#N)cc1 10409617 XPVDIFNQUFENOG-UHFFFAOYSA-N 282.318 3.577 30 20 CHED N#Cc1ccc(CSc2nc3ccccc3[nH]2)c(F)c1 19847615 PNKAQMDNSHULKF-UHFFFAOYSA-N 283.331 3.866 30 20 CHED CC[C@H](NC(=O)C#Cc1ccccc1)c1ccc(C)cc1 20502496 JVWLTTPVSRXVHQ-SFHVURJKSA-N 277.367 3.614 30 20 CHED CC(C)(C)CC(C)(C)NCc1ccc(OCC#N)cc1 35257281 JAMRIPMZEVVNNJ-UHFFFAOYSA-N 274.408 3.893 30 20 CHED N#Cc1ccc(CN(Cc2cccs2)C2CC2)c(F)c1 42349991 IWPCPRCAAGZGEC-UHFFFAOYSA-N 286.375 3.923 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(C(C)(C)C)cc1 57568034 SZKMLIWIWLVGKH-OAHLLOKOSA-N 272.392 3.652 30 20 CHED CC(=O)c1c(C)cc(C)c(CN2CCC(C#N)CC2)c1C 57908001 WGHFCGUOYDWRQN-UHFFFAOYSA-N 284.403 3.550 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1ccc(CC#N)cc1 58243064 QCSCCSXMPPBBRF-UHFFFAOYSA-N 294.354 3.792 30 20 CHED N#CC1(NC(=O)c2sc3ccccc3c2Cl)CCC1 63477041 IWLLJKDQVGDEGK-UHFFFAOYSA-N 290.775 3.731 30 20 CHED C[C@H]1CN(Cc2ccccc2C#N)C[C@@H](c2ccccc2)O1 63581371 QQOBHXPKMRUZKM-KXBFYZLASA-N 292.382 3.520 30 20 CHED C=CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 67034653 YYMCAOXZZPVVSH-UHFFFAOYSA-N 296.326 3.736 30 20 CHED CCC(O)(CC)CNc1ccc(C#N)c(C(F)(F)F)c1 67370131 PQYPTYVXZSHDKH-UHFFFAOYSA-N 286.297 3.540 30 20 CHED CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 80841070 WHTKGBGHSGBJFD-ZWKOTPCHSA-N 290.366 3.863 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1cc(C#N)cs1 84058672 DFPYDGQHNBRCFY-LLVKDONJSA-N 264.394 3.564 30 20 CHED N#CCCCOc1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1 93443138 QLEQAYFRTQMOFW-IAGOWNOFSA-N 284.403 3.601 30 20 CHED Cn1c([C@@H](C#N)C(=O)CC2=CCCCC2)nc2ccccc21 106982400 DPZHTUDRKYTCGG-AWEZNQCLSA-N 293.370 3.640 30 20 CHED C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc(C#N)c1 111410800 GDQUSCYXYPYWJC-FZKQIMNGSA-N 262.356 3.581 30 20 CHED Cc1ccccc1-c1noc(CCc2ccc(C#N)cc2)n1 113729602 OYMCHIKFVWGVHG-UHFFFAOYSA-N 289.338 3.702 30 20 CHED CC(C)CC[C@@H](NC(=O)N1CCC(C#N)CC1)C(C)(C)C 115702087 VEDNXSRQKLCANA-OAHLLOKOSA-N 293.455 3.782 30 20 CHED C=CCCCSCC(=O)Nc1cc(C)ccc1OC 117944688 MEHDTGOYLWHERD-UHFFFAOYSA-N 279.405 3.642 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnc(C)cn1 119613899 QXIJLKTYQZJBOF-UHFFFAOYSA-N 277.412 3.608 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1oc2ccccc2c1C 120948410 QPZAQGFTOJVVCY-CMDGGOBGSA-N 280.327 3.679 30 20 CHED C=CCN(C)[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 121276611 JHLOXAFZHQQIFE-LSDHHAIUSA-N 296.414 3.523 30 20 CHED C=CCN(C)CCC(=O)Nc1ccccc1-c1ccccc1 121366730 AYANZWCFKGUVJV-UHFFFAOYSA-N 294.398 3.800 30 20 CHED Cc1cccc(C(=O)OC[C@H](C#N)Cc2ccccc2)c1F 122200870 UVSPJWCLGHJKMP-HNNXBMFYSA-N 297.329 3.673 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)C(C)C 123136514 JABZQWDRTPMJHM-ZBFHGGJFSA-N 259.393 3.582 30 20 CHED COc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)ccc1F 126074380 ZMADDCPUKKYOLL-LLVKDONJSA-N 299.301 3.624 30 20 CHED C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(C)(C)C#N 130852465 HBOMHENSSYYLFI-ZDUSSCGKSA-N 298.386 3.972 30 20 CHED Cc1cccc(F)c1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 133721862 IOWBSVRITUQZPV-LBPRGKRZSA-N 297.333 3.889 30 20 CHED Cc1nc(C)c([C@H](C)NCc2ccc(C#N)s2)s1 135685474 UVCRCTFXUHGQLF-QMMMGPOBSA-N 277.418 3.544 30 20 CHED C#CCCCCNCc1csc(-c2ccc(F)cc2)n1 150737117 JWAAKKXLOVKUTF-UHFFFAOYSA-N 288.391 3.842 30 20 CHED N#CCN(Cc1coc(-c2ccccc2)n1)C1CCCC1 151129494 LDNQBEQCTAZBTQ-UHFFFAOYSA-N 281.359 3.610 30 20 CHED CC#CCCN(C)CCCc1cc(-c2ccccc2)no1 155348138 ZSXCNAOZCCRVBG-UHFFFAOYSA-N 282.387 3.619 30 20 CHED N#Cc1csc(CN[C@H]2CCO[C@H](c3ccccc3)C2)c1 157379774 FXHSVXPXARLULE-RDJZCZTQSA-N 298.411 3.630 30 20 CHED CCCn1c(=O)n(CCCC(C)(C)C#N)c2ccccc21 158119750 GUQGGRDTASZHNE-UHFFFAOYSA-N 285.391 3.543 30 20 CHED N#Cc1ccc(OC(=O)C2CCCCCC2)c(F)c1 158214758 AUJVZHGPIPYXTL-UHFFFAOYSA-N 261.296 3.573 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cncs1 161502699 VFFUECWRQDNFCF-LBPRGKRZSA-N 274.389 3.559 30 20 CHED N#Cc1ccc(NCc2ccc3ncccc3c2)c(F)c1 168242553 KIMUNYFVSJGTQV-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CCC[C@H](C)C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 173915760 YTPPHODUAQWQND-FZMZJTMJSA-N 296.370 3.804 30 20 CHED C[C@H](OC(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1 175752537 WTUMBKNVGXMQFB-JTQLQIEISA-N 287.265 3.754 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2ccccc2)s1 175995917 YZNPZMHWHITDIR-LBPRGKRZSA-N 271.341 3.874 30 20 CHED N#Cc1csc(C(=O)Oc2cccc3ccccc23)c1 176455654 ICHSKROKGGQANC-UHFFFAOYSA-N 279.320 3.992 30 20 CHED C#Cc1cccc(NC(=O)C2(Cc3ccccc3)CC2)c1 176905406 QTXIODZYDBLDMZ-UHFFFAOYSA-N 275.351 3.629 30 20 CHED Cc1cccnc1[C@@H](NCc1ccc(C#N)s1)C(C)C 176970515 WRLIWIANWYXHPJ-HNNXBMFYSA-N 285.416 3.810 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCO[C@@H](C)CC(C)C 178389466 PTGRMZJORWBLPL-ZDUSSCGKSA-N 288.391 3.647 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCC[C@@H]1C 178569790 MBDYTXQEVRCLQB-FZMZJTMJSA-N 271.364 3.567 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1F)c1c(C)noc1C 179326069 RYAXDQUJAUXYIC-HNNXBMFYSA-N 287.338 3.543 30 20 CHED Cc1c(C(=O)/C=C/c2cc3ccccc3s2)cnn1C 179852699 WAADIDQCEKBWME-BQYQJAHWSA-N 282.368 3.839 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1 181303758 QFWXJZUAIVJPJL-GFCCVEGCSA-N 281.315 3.621 30 20 CHED C[C@H](N[C@H](CCN(C)C)C(C)(C)C)c1cccc(C#N)c1 181763680 ARQXOPVLXQKVPP-WMLDXEAASA-N 287.451 3.575 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1occc1C 182254137 RZPGBCDEBFIGHC-BQYQJAHWSA-N 272.300 3.501 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccccc1OC(F)F 182642224 YCBABBXKNWFRMT-GFCCVEGCSA-N 297.345 3.692 30 20 CHED CC#CCCCC(=O)N(C)CCCCc1ccccc1 185204614 ADNAIMISMKQWJE-UHFFFAOYSA-N 271.404 3.661 30 20 CHED CCS[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@H](C#N)C2)C1 185854073 MJZFJVAOPGTHRE-GBJTYRQASA-N 266.454 3.723 30 20 CHED C=CCC[C@@H](C(=O)Nc1ccncc1)c1ccccc1 187003442 ATCOOJYJOWNSLV-MRXNPFEDSA-N 266.344 3.770 30 20 CHED CC#CCNC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 190091244 GAJPARMMXCULMT-HNNXBMFYSA-N 299.418 3.519 30 20 CHED Cc1ccc(SCCN[C@@H]2CCC[C@H](C#N)C2)cc1 192616664 UCMGIIPMCPUHNP-LSDHHAIUSA-N 274.433 3.759 30 20 CHED CCCCCCCC(=O)N(Cc1cccnc1)C1CC1 192791302 BZJYOSTVZZQXOT-UHFFFAOYSA-N 274.408 3.933 30 20 CHED CSC1(C/N=C(\N)Nc2cccc(C(C)C)c2)CCC1 193299409 JYENXPGQBYRQKW-UHFFFAOYSA-N 291.464 3.822 30 20 CHED CCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(C)c1 193348618 WHMSFXIXYCXPJE-DOTOQJQBSA-N 286.419 3.956 30 20 CHED CN(Cc1cccc(Cl)c1Cl)C[C@@H](C#N)CCC#N 194078551 PKPSCVZWYQZZQR-LLVKDONJSA-N 296.201 3.869 30 20 CHED COc1cccc(/C=C/C(=O)c2cccc(C#N)c2)c1F 195502735 HKCDBCQEZMWWNS-CMDGGOBGSA-N 281.286 3.602 30 20 CHED C[C@@H]1CCCC[C@@H]1Nc1nc(Cl)c(C#N)s1 235241464 XZVFHAUADDDCKZ-SFYZADRCSA-N 255.774 3.659 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NCc1cc(C#N)cs1 237771073 XOUZUDBCSKNZOB-FZMZJTMJSA-N 262.422 3.924 30 20 CHED Cc1cc(C)cc(NCCOc2ccc(C#N)cc2)c1 247895264 WUYXMNFJJWBIJA-UHFFFAOYSA-N 266.344 3.666 30 20 CHED CCCCCCCCC(=O)Nc1nnc(C(F)(F)F)[nH]1 248238708 DDOPGTSCLZFQJA-UHFFFAOYSA-N 292.305 3.513 30 20 CHED CC(C)(C)c1noc(CON=Cc2ccc(Cl)cc2)n1 255592695 MMRFWQYFHNMYQW-UHFFFAOYSA-N 293.754 3.571 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(SC(F)F)cc2)cn1 255867762 QVJPQDAZACMIFU-UQCOIBPSSA-N 294.326 3.631 30 20 CHED C=CCCN(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 265770447 IRVRBLKESTVQKU-SJLPKXTDSA-N 272.436 3.547 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CC=CCC2)c(Cl)c1 269251779 XOLOLXFFBKNBJK-LLVKDONJSA-N 260.724 3.506 30 20 CHED CC1(CC(=O)N(CCC#N)Cc2ccccn2)CCCCC1 269916401 FAQNLELQAFCBEH-UHFFFAOYSA-N 299.418 3.684 30 20 CHED COc1cc(C#N)ccc1CSCCC(F)(F)F 270958732 XBAMAVPOLIWITQ-UHFFFAOYSA-N 275.295 3.752 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1C 271231606 QOZHLRBAOWRCSB-QWRGUYRKSA-N 291.782 3.721 30 20 CHED C[C@H](NCCCC(F)(F)F)c1ccc(C#N)c(F)c1 271926671 GSQJQKMSYKARJT-VIFPVBQESA-N 274.261 3.690 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1c(F)cccc1F 274305283 VGOPSWGNSLIORG-GHMZBOCLSA-N 267.319 3.744 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](CC1CCC1)c1ccccc1 278670402 FZJNFKMIGFSUCK-INIZCTEOSA-N 284.403 3.974 30 20 CHED CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 280479786 JBLUCWXNDOPGAL-UHFFFAOYSA-N 270.376 3.502 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 281102261 AMZXCALENONYJX-SMDDNHRTSA-N 284.325 3.918 30 20 CHED C[C@H](SC[C@@H]1CCC[C@@H](O)C1)c1cccc(C#N)c1 292108806 PZGSTODFFQOUQH-JGGQBBKZSA-N 275.417 3.904 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 294182078 NQUIMXAWFOYGJF-WBVHZDCISA-N 299.414 3.721 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 294553697 WBNAKLKKCVHSLV-HIFRSBDPSA-N 256.349 3.517 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc([C@@H]3CCOC3)cc2)C1 294904009 FRMNJOTZDPLQSP-UNEWFSDZSA-N 270.376 3.685 30 20 CHED COc1cc(C#N)ccc1Oc1ccc([N+](=O)[O-])c(C)c1 301065500 CUXYQBVRXXACDD-UHFFFAOYSA-N 284.271 3.576 30 20 CHED CCN(C)Cc1cccc(CNc2ccc(C#N)cc2F)c1 301280071 ZYCZIFIONURRJW-UHFFFAOYSA-N 297.377 3.761 30 20 CHED C[C@@](O)(CNc1cc(Cl)ccc1C#N)c1cccs1 301360234 OJBWQSQRQFUWSK-CQSZACIVSA-N 292.791 3.593 30 20 CHED CCC(CC)(CNc1nccnc1C#N)c1ccccc1 301463018 JXRXCOWMZIFGNT-UHFFFAOYSA-N 280.375 3.518 30 20 CHED CCO[C@@H]1C[C@@H](N(C)c2ncccc2C#N)C12CCCCC2 301489095 KLDXUVFVLLPLSI-HZPDHXFCSA-N 299.418 3.517 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2ccccc2Cl)cn1 301552598 YQVFQYLCANWUMM-MRXNPFEDSA-N 283.762 3.948 30 20 CHED N#Cc1cnc2ccccc2c1NCCC[C@H]1CCCCO1 302124834 ABCPIZBUVJBDMC-OAHLLOKOSA-N 295.386 3.868 30 20 CHED Cc1cc(F)cc2c(N3CCCC4(CC4)C3)c(C#N)cnc12 302234373 DICUWJFMCKRQGU-UHFFFAOYSA-N 295.361 3.934 30 20 CHED Cc1ccc(C#N)c(NCc2cc(-c3ccccc3)on2)n1 302616781 CRRHFWBBFPQZHJ-UHFFFAOYSA-N 290.326 3.529 30 20 CHED Cc1ccc(N2C[C@H](c3ccccc3)C(C)(C)C2)nc1C#N 302666016 QBUSTNNDWBWUJC-MRXNPFEDSA-N 291.398 3.892 30 20 CHED CCCCCCCC(=O)N1CCNC[C@@H]1c1ccccc1 313367507 YQTWUIFKAXNKJL-QGZVFWFLSA-N 288.435 3.520 30 20 CHED Cc1nnc(N=C(O)C[C@@H]2CCC[C@H](C)C2)n1C1CC1 329084949 TYTHSQKBBDWHHC-CMPLNLGQSA-N 276.384 3.726 30 20 CHED Cc1ccc(N/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nc1 329567232 PCSIOUUFBXSSKS-BFHYXJOUSA-N 273.380 3.685 30 20 CHED CCS[C@@H]1CCC[C@@H]1/N=C(/O)C[C@H]1CCCC(O)=N1 329677926 WUKPZNUNWKMQGL-GRYCIOLGSA-N 284.425 3.516 30 20 CHED CC[C@@H]1CCc2nc(N=C(O)C[C@@H]3CCOC3)sc2C1 329862763 YTWRFVJTRSJXLL-MNOVXSKESA-N 294.420 3.673 30 20 CHED CC(C)(C)C1CCC(C/N=C(/O)c2cncnc2)CC1 330862777 MHNAYRHSPVLXSK-UHFFFAOYSA-N 275.396 3.634 30 20 CHED CC(C)(C)c1cnc(N/C(O)=N/C[C@@H]2CCCS2)s1 330935559 NWAAGNDHXCFIHX-VIFPVBQESA-N 299.465 3.662 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1c2ccccc2CC[C@H]1C 331904180 GHHBSJJGKLHFOV-PIGZYNQJSA-N 294.354 3.513 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)C(C2CCC2)C2CCC2)C1 332870614 AGVYOWNLMGJUPK-SCLBCKFNSA-N 288.435 3.791 30 20 CHED CCc1c(C)sc(NC(=O)C2CCSCC2)c1C#N 334414226 OSUIMIWFZPIZTI-UHFFFAOYSA-N 294.445 3.572 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(C2CC(F)(F)C2)no1 334891578 PTLXGUJESXVNJM-VIFPVBQESA-N 289.285 3.606 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(C(F)F)ccc1Cl 336190192 QDEUTFXKXRWCJS-FUXBKTLASA-N 284.693 3.766 30 20 CHED Cc1cccc(-c2nnc(S[C@@H]3CC[C@H](C#N)C3)n2C)c1 336261466 JILBHFRGLSRQLQ-GXTWGEPZSA-N 298.415 3.575 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@@H](C)C(C)(C)C)no1 336489136 PODNQGWVLFZNCS-MRVPVSSYSA-N 259.309 3.659 30 20 CHED Cc1ccccc1SCC(=O)Nc1ccccc1CC#N 339169679 WUNAYSLWORIRHA-UHFFFAOYSA-N 296.395 3.792 30 20 CHED Cc1ccc(Cl)cc1CNc1cc(C#N)ccn1 342957963 FUDCIOJDIRQMPA-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(Cl)o2)no1 347118922 UAJWCZHJPBTVQQ-UHFFFAOYSA-N 275.695 3.638 30 20 CHED N#Cc1ccc(F)c(CN2Cc3cccc(Cl)c3C2)c1 347447933 MAQINHSHSQICMS-UHFFFAOYSA-N 286.737 3.867 30 20 CHED C=CCN1CC[C@@H](SCc2ccccc2C2CC2)C1=O 347783724 ZTZWSIGCNKWJCC-MRXNPFEDSA-N 287.428 3.584 30 20 CHED C[C@@H](NC(=O)c1cscc1C#N)c1cc2ccccc2o1 349245180 GFYHSLMIHZVWGN-SNVBAGLBSA-N 296.351 3.857 30 20 CHED CC(C)[C@@H](Nc1ncccc1C#N)c1nc2ccccc2[nH]1 349323335 BISIJXVOEHGVFH-OAHLLOKOSA-N 291.358 3.639 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H](c2cccc(F)c2)c2ccccn2)C1 349426618 WGPIIMVNXWMREX-MZMPZRCHSA-N 295.361 3.592 30 20 CHED C=CCC[C@H](NCCc1csc(C)n1)c1ccco1 353456144 UMEMNLJDMOTJIF-AWEZNQCLSA-N 276.405 3.884 30 20 CHED Cc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 353963856 YKONFSFUFNIDLN-MSOLQXFVSA-N 280.371 3.860 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC(C)(C)C1 354088360 ONHSNUIMWRYTTO-ZDUSSCGKSA-N 285.391 3.755 30 20 CHED Cc1ccc(C#N)cc1OCc1ccc(-n2cccn2)cc1 354504873 IPGAGTHGJFCQCN-UHFFFAOYSA-N 289.338 3.631 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OC)c3ncccc23)CC1 355049183 ZHPDSYDUIIWSEW-UHFFFAOYSA-N 296.370 3.928 30 20 CHED Cn1cc(CNc2cccnc2-c2ccccc2)cc1C#N 357703029 CNTFNPYYCVWMJS-UHFFFAOYSA-N 288.354 3.571 30 20 CHED C=C[C@@H](C)N[C@@H](CC)c1ccc(OC(F)F)cc1 358289603 CVCKNORWCHYIRJ-MFKMUULPSA-N 255.308 3.903 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)NCC(C)(C)CCC#N 358677991 CXZWVHFOFZYUPV-CQSZACIVSA-N 299.418 3.645 30 20 CHED C=CCN(CCC#N)C(=O)C(C)(C)c1ccccc1Cl 359397995 DFFLVYCKTDXANJ-UHFFFAOYSA-N 290.794 3.546 30 20 CHED C=C(CC)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 359877844 RDTMLNDZJBANON-GFCCVEGCSA-N 287.329 3.505 30 20 CHED C=CC[C@H]1N(Cc2cn(C)nc2C(F)F)CCCC1(C)C 361136700 QTKRSILOYBHADM-CYBMUJFWSA-N 297.393 3.924 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCOC3(CCCCC3)C2)C1 365800703 ZMGFIZPZVUHQOJ-OAGGEKHMSA-N 276.424 3.540 30 20 CHED C[C@H](CC(C)(C)C)NCc1cccc(OCC#N)c1 395066239 WSIKKZFISCFPOK-CYBMUJFWSA-N 260.381 3.503 30 20 CHED N#CC1(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCCC1 408022657 UUUVPSSZAJKWSQ-OWCLPIDISA-N 288.435 3.936 30 20 CHED CCN(C(=O)[C@@H]1CC2CCC1CC2)c1ccc(C#N)cc1 410521264 CAHMLDLDGPBTND-PUJMQQBBSA-N 282.387 3.737 30 20 CHED C[C@@H](CCC#N)N1CCC(Cc2cccc(F)c2F)CC1 411807382 KJVRWENONHNMAH-ZDUSSCGKSA-N 292.373 3.912 30 20 CHED CC[C@H](NC(=O)CSCCC#N)c1ccc(Cl)cc1 413014371 QCLYLSZRHNVDQA-ZDUSSCGKSA-N 296.823 3.554 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccoc1 413815293 GVZVVMDCZSRTRF-QGZVFWFLSA-N 298.386 3.608 30 20 CHED C[C@H](NC[C@H](C)CC(F)(F)F)c1ccc(C#N)c(F)c1 414278614 IDHPPFKHNSMBTJ-ZJUUUORDSA-N 288.288 3.936 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCOCC1CCC1 419202380 DJALPLKDLZFDCM-MOPGFXCFSA-N 298.430 3.575 30 20 CHED N#Cc1cccc(CSCC2CC(F)(F)C2)c1F 419509013 DYQFIWCNOICVAV-UHFFFAOYSA-N 271.307 3.976 30 20 CHED CC[C@H](NC(=O)NCc1ccc(C#N)s1)c1ccccc1 420850651 ATJALXLESCMYPQ-HNNXBMFYSA-N 299.399 3.570 30 20 CHED CC[C@H](CC(C)C)C(=O)N1CCc2c(C#N)cccc21 421655216 GKXPYRCQAPFVRY-CYBMUJFWSA-N 270.376 3.520 30 20 CHED N#Cc1ccccc1C[S@](=O)c1ccc2c(c1)CCCC2 422095042 IWMMETYOVKQJGF-NRFANRHFSA-N 295.407 3.745 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccncc1Cl 425532117 IKVNRQCYZQOSSN-LBPRGKRZSA-N 285.778 3.800 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)CCCC(F)(F)F)OCC 427738123 ACVRVOWUQSYYIG-NWDGAFQWSA-N 295.345 3.595 30 20 CHED C=CCN(CCC#N)Cc1cc2ccccc2s1 428851667 RKIUKZLNJLRUHR-UHFFFAOYSA-N 256.374 3.803 30 20 CHED CC(C)(NCCOc1ccc(C#N)cc1)c1ccccc1F 429228929 USNYJPKIGAOGDO-UHFFFAOYSA-N 298.361 3.601 30 20 CHED Cc1ccc([C@@]2(C)CCN(c3ccc(C)c(C#N)n3)C2)cc1 432933369 UJCRYKYEXNAXCN-IBGZPJMESA-N 291.398 3.738 30 20 CHED C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)[C@H](C)C2)c1 438122842 PYLJVWGVMDMFIT-ZIAGYGMSSA-N 288.391 3.761 30 20 CHED N#CCC[C@@H](NC(=O)c1ccc(Cl)cn1)c1ccccc1 439661841 IEZHSIFMKHDPES-CQSZACIVSA-N 299.761 3.510 30 20 CHED N#C[C@H]1CC[C@H](NCC2(c3cccc(Cl)c3)CC2)C1 442774876 BBNIYHBAIQNUAX-WFASDCNBSA-N 274.795 3.653 30 20 CHED CC[C@H](CSc1ccccc1)N[C@H]1CC[C@H](C#N)C1 442846758 JYYURMRCIGDKHO-ZNMIVQPWSA-N 274.433 3.839 30 20 CHED Cc1cc(CNCCc2cccc(Cl)c2)ccc1C#N 443972494 MSDJEBWHZHLSFN-UHFFFAOYSA-N 284.790 3.852 30 20 CHED C=CCNC(=O)C1(c2c(Cl)cccc2Cl)CCC1 445247188 GIMXIEVBDBNONY-UHFFFAOYSA-N 284.186 3.717 30 20 CHED CC[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 447572451 CANFZYNYBKQTCB-INIZCTEOSA-N 295.342 3.707 30 20 CHED N#CCCCCNCc1cnc(-c2ccccc2F)s1 449130802 HWPGTYYUVSHBNB-UHFFFAOYSA-N 289.379 3.733 30 20 CHED C=CC[C@@H](C)NCc1cnc(CCc2ccccc2)s1 449150118 QGQZZOTVHFWUPL-CQSZACIVSA-N 286.444 3.983 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(F)cc1C(F)(F)F 452773628 JCKOTGAJMMJUIE-UHFFFAOYSA-N 289.272 3.787 30 20 CHED Cc1ccc(C)c(OCCNc2cccc(CC#N)c2)c1 453137181 CMJAHAGMOSUFHI-UHFFFAOYSA-N 280.371 3.860 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1sc(C(C)C)nc1C 453335699 FOSXXTGJGFCDLE-YUTCNCBUSA-N 294.464 3.959 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc(OC(F)F)cc1 453376687 XYZWLBDGWPLLAK-ZNMIVQPWSA-N 297.345 3.672 30 20 CHED CC(C)[C@@H]1C[C@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 454716465 NSRBSGKKNOCPCE-ULQDDVLXSA-N 299.418 3.623 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 456279995 MMUQAUZFFNPONL-ZWKOTPCHSA-N 297.398 3.512 30 20 CHED CC(C)(CC#N)CN[C@@H](CCc1ccccc1)C(F)F 459660081 ASPACPAGXGHGKR-AWEZNQCLSA-N 280.362 3.782 30 20 CHED CC(C)(CC#N)CNCc1cccc(-c2cccnc2)c1 459732034 OFFUGTQQYAYNJE-UHFFFAOYSA-N 279.387 3.778 30 20 CHED CC#CCCN(Cc1cc(OC)ccc1OC)C(C)(C)C 462313150 ICRYDOBDUOQEBN-UHFFFAOYSA-N 289.419 3.718 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2cc(Cl)ccc2C1 466389368 PTPHJSRTIPYHJL-HNNXBMFYSA-N 292.810 3.762 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 466795208 JBESQXCGSVWHTO-AWEZNQCLSA-N 286.419 3.844 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1cc(F)cc(F)c1 467447476 IDIRVCIGLSUTJH-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C=CCC[C@H](CCC)NC[C@]1(C)CCO[C@H]1C1CC1 468048044 MUFSKLSECYAKIU-ULQDDVLXSA-N 265.441 3.916 30 20 CHED C=CCCCCNC(=O)c1ccc(OC(F)(F)F)cc1 471675353 CTYDIAYCYNXUTL-UHFFFAOYSA-N 287.281 3.671 30 20 CHED C=CCOCCCSc1nc2cc(C)ccc2o1 476003625 ZKMAVGFVKNAFPZ-UHFFFAOYSA-N 263.362 3.821 30 20 CHED Cc1ccc2c(c1)N(CCCC(C)(C)C#N)C[C@H](C)O2 477720919 RAWHVKCSXSYBJD-AWEZNQCLSA-N 272.392 3.912 30 20 CHED Cc1cc(O[C@H](C)c2cccc(C#N)c2)ccc1C#N 478826555 QMFHRERGNQEZST-CYBMUJFWSA-N 262.312 3.878 30 20 CHED C=CCC1(C(=O)N(C)C[C@@H](C)c2ccccc2)CCC1 480044490 UUWFORQIQFATPW-OAHLLOKOSA-N 271.404 3.995 30 20 CHED CS[C@@H]1CCCCN(Cc2ccc(C#N)c(C)c2)C1 488119881 CYKHYVDTXGMZKS-MRXNPFEDSA-N 274.433 3.584 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@@H](C)CCC)c1ccccc1 488618767 GZNQRIWHYAMHAJ-GOEBONIOSA-N 259.393 3.993 30 20 CHED C[C@H]1CN(c2c(Cl)cccc2C#N)Cc2ccccc2O1 488742448 FJXOJKIWGULBJP-LBPRGKRZSA-N 298.773 3.999 30 20 CHED C=CCn1cccc1C(=O)N1CCCC[C@H]1c1ccco1 488967582 OUPYTLUIHYYUPI-AWEZNQCLSA-N 284.359 3.635 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1C[C@]12CCc1ccccc12 489940999 KKWCWKRGXRBEQT-APWZRJJASA-N 283.415 3.609 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CCc2cc(F)cc(C)c2C1 501222659 VPTYHVZATRUBJW-ZDUSSCGKSA-N 275.367 3.621 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(CC(F)(F)F)CC1 501417524 KYXMVWVQBWYBHQ-CYBMUJFWSA-N 277.330 3.780 30 20 CHED Cc1c(C(=O)NC2(C(C)C)CC2)sc2ccc(C#N)cc12 508513601 PYWIMAJLNQSHGN-UHFFFAOYSA-N 298.411 4.000 30 20 CHED COc1cc(C#N)ccc1COc1cc(F)ccc1Cl 509774102 DWVWOANNFCGVJP-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C=C(C)CNC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 511942939 MOXNXKOAZJXDMJ-BJWYYQGGSA-N 284.403 3.683 30 20 CHED COc1cc(CNC2(C(F)F)CCCCC2)ccc1C#N 512848907 AAAZDLIKSLXOFL-UHFFFAOYSA-N 294.345 3.624 30 20 CHED Cc1ccn2cc(CNc3cc(Cl)ccc3C#N)nc2c1 521916511 BGBVYTQFGPHDGP-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccccc1C#N 522468423 CKQKQAYNAVXWNU-DNVCBOLYSA-N 276.383 3.936 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1CCc2ccccc2N1 524687720 NCVYVBQXUIUKHT-HNNXBMFYSA-N 281.334 3.536 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc(F)ccc1-c1ccoc1 526077266 QZKALLLCXMULMK-ZDUSSCGKSA-N 286.306 3.508 30 20 CHED N#Cc1ccccc1CN[C@H]1CCC[C@H]1c1ccccc1 526087157 SYJLDCHPQGRHMW-OALUTQOASA-N 276.383 3.984 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCc2c(Cl)cccc21 528169000 ZWJWQOUYNBQQNW-CQSZACIVSA-N 290.794 3.773 30 20 CHED C=CCOc1ccccc1CN[C@H](CC)C1CCOCC1 531970596 MMNSGYKWHSMTEU-QGZVFWFLSA-N 289.419 3.546 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1cc(F)ccc1C#N 532345411 UFFPIMAYXFVHDJ-LBPRGKRZSA-N 298.336 3.956 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCc1cc(F)cc(F)c1 537184846 GOMSGFJOSTYTIC-GFCCVEGCSA-N 296.361 3.551 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCC1(C2CC2)CCC1 538289673 JEDDFPKXRLTVGL-CYBMUJFWSA-N 264.413 3.611 30 20 CHED C[C@H]1CCC[C@H](C)N(Cc2cccc(C#N)c2F)C1 539250245 JRLAWQXSJZKHDJ-STQMWFEESA-N 260.356 3.708 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(C#N)c1 540895296 UWZFRAUBQLITLE-ACJLOTCBSA-N 290.366 3.612 30 20 CHED Cc1cccc([C@@H]2CCCN2c2nccc(C)c2C#N)c1 542207088 NXVSDUSZMUQFNG-KRWDZBQOSA-N 277.371 3.912 30 20 CHED Cc1cc(N2CCCC2)ccc1Nc1nccc(C)c1C#N 543210459 SKSTTXYXHVKTNE-UHFFFAOYSA-N 292.386 3.914 30 20 CHED N#CCc1ccc(-c2nc(CC3CCCCC3)no2)cc1 544588233 KTDYKGNOPMNAAE-UHFFFAOYSA-N 281.359 3.925 30 20 CHED C=CCOCc1nc(-c2cc(Cl)cc(Cl)c2)no1 544967424 JWJWASVJFHVOBE-UHFFFAOYSA-N 285.130 3.746 30 20 CHED C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC)CC1 549050203 SGIBSAKGNGHNKS-UHFFFAOYSA-N 296.418 3.684 30 20 CHED CC(C)(C)CCCNC(=O)c1cc(C#N)ccc1Cl 552024906 UXQXVJWRFOMURD-UHFFFAOYSA-N 278.783 3.768 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 552136563 CGBTWJOZGQSEGV-KDOFPFPSSA-N 286.419 3.797 30 20 CHED C=CCC[C@H](CC)NCCC1C[C@@H](C)O[C@H](C)C1 555233991 IDMCBFGTGRYKFZ-FMKPAKJESA-N 253.430 3.915 30 20 CHED C[C@](C#N)(NC(=O)c1ccc2cc[nH]c2c1)C1CCCCC1 555904446 NRPVNNVKLHFLBT-GOSISDBHSA-N 295.386 3.760 30 20 CHED N#Cc1cccc(C2(N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)CC2)c1 556409035 OTBNHDXFEJZJFO-RXABAKJHSA-N 292.426 3.962 30 20 CHED C=CCCCCCN(C)S(=O)(=O)c1cc(C)ccc1F 558477932 QEKAKXYSMNSZSI-UHFFFAOYSA-N 299.411 3.501 30 20 CHED CCc1ccc([N+](=O)[O-])cc1NCc1ccc(CC#N)cc1 558592606 MWLFYKCFNIKGQL-UHFFFAOYSA-N 295.342 3.835 30 20 CHED N#CC1(c2ccccn2)CCN(CCC2CCCCC2)CC1 558621459 RFVCKMWHJVCMGE-UHFFFAOYSA-N 297.446 3.909 30 20 CHED CC[C@](C)(C#N)c1nc(CCC2CCCCC2)no1 564235250 UOHWYKFVKSPYIU-OAHLLOKOSA-N 261.369 3.774 30 20 CHED N#Cc1ncccc1N[C@H]1CC[C@@H](Cc2ccccc2)C1 567038348 IDRXYELITGSHMP-HOTGVXAUSA-N 277.371 3.777 30 20 CHED CCc1nocc1CSc1nc2c(c(C)c1C#N)CCC2 576053401 NPLAVTYXBSQCEB-UHFFFAOYSA-N 299.399 3.593 30 20 CHED C=CCCC1(C(=O)N[C@H](C#N)c2ccc(CC)cc2)CC1 579286950 HMGAGNLCYWMWRB-MRXNPFEDSA-N 282.387 3.676 30 20 CHED CC[C@@H](Sc1cc(C#N)ncn1)c1ccccc1 579548027 LDEGKUOTCIHELY-CYBMUJFWSA-N 255.346 3.592 30 20 CHED CC(C)(CC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 582831261 VFQOHGZNGQNVMV-UHFFFAOYSA-N 288.416 3.873 30 20 CHED CC1(CC(=O)N2CCC(CCC#N)CC2)CCCCC1 584723772 UMZRFPBZMSJVKV-UHFFFAOYSA-N 276.424 3.889 30 20 CHED Cc1ccc(NC(=O)CCCCCC#N)c2cccnc12 588156479 RIWVMAKRTKVZFQ-UHFFFAOYSA-N 281.359 3.956 30 20 CHED CCN(C(=O)CCCCCC#N)c1ccccc1OC 588753586 YTEYNLIORNHUTL-UHFFFAOYSA-N 274.364 3.522 30 20 CHED N#CCCCCCC(=O)NCC[C@@H]1CCc2ccccc21 590767417 CMOOAQPSOKGDRH-INIZCTEOSA-N 284.403 3.697 30 20 CHED COCC1(CN[C@H]2CCCc3cc(C#N)ccc32)CCCC1 590780092 QOYLUZRZACABJK-SFHVURJKSA-N 298.430 3.732 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 593416975 HIBPKYRBQDVWIM-LBPRGKRZSA-N 299.399 3.915 30 20 CHED CCCCN(C(=O)[C@H](C#N)CC)[C@H]1CCC[C@H](C)C1 593732837 SDCJUELNQACWJC-KKUMJFAQSA-N 264.413 3.744 30 20 CHED C[C@@H](C1CC1)N(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CC1 593960274 RWHQHLAXTYEVQV-KGLIPLIRSA-N 296.414 3.526 30 20 CHED CC[C@](C)(C#N)NC(=O)CCc1c(Cl)cccc1Cl 593996656 YWQIJAIAFLDBCC-CQSZACIVSA-N 299.201 3.734 30 20 CHED C[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)c1ccsc1 594023177 DRBLGLBFMKGYNL-OLZOCXBDSA-N 298.411 3.676 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C(C)(C)CCCc1ccccc1 594091008 YVDWVLHEKUJLNX-INIZCTEOSA-N 286.419 3.796 30 20 CHED Cc1cccc(-c2nnc(SCC3(CC#N)CC3)n2C)c1 594883641 SWTWLRFNZYGURB-UHFFFAOYSA-N 298.415 3.577 30 20 CHED CC[C@H](OCCN1CCC[C@@H](CC#N)C1)c1ccccc1 595622883 FHXZHAREMSKOGT-WMZOPIPTSA-N 286.419 3.780 30 20 CHED N#CC[C@@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 597908848 CNOTZRNLFKJRDW-QVNOTHCHSA-N 282.387 3.632 30 20 CHED CSc1ccc(Cl)c(NC(=O)CCCC#N)c1 597926068 UCMDMSAPIZEAHD-UHFFFAOYSA-N 268.769 3.694 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C[C@H](O)CC(C)(C)C#N 598586870 JOEQRELWGGNYCK-DOTOQJQBSA-N 288.435 3.588 30 20 CHED CCCCC1CCC(NC[C@@H](O)CC(C)(C)C#N)CC1 598701247 SYTVEELOTPFQLP-GPANFISMSA-N 280.456 3.626 30 20 CHED Cc1nn(C)c2cc(N[C@H](C)c3cccc(C#N)c3)ccc12 600852553 VJOUVYGXAYHADW-GFCCVEGCSA-N 290.370 3.927 30 20 CHED COc1ccc2ccccc2c1CNC[C@H](C)CCC#N 602591117 FKVHCFBSSXZYPZ-CQSZACIVSA-N 282.387 3.878 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 602647663 JVBLSXFVILQWHT-FRFSOERESA-N 274.383 3.991 30 20 CHED CSc1ccccc1[C@@H](C)NCc1cccc(C#N)n1 602650649 FKFXMKGJYKTBKH-GFCCVEGCSA-N 283.400 3.526 30 20 CHED N#CCC1(CN2CCC[C@H](c3ccccc3)C2)CC1 602841866 SVPRFUFXMLDOEU-INIZCTEOSA-N 254.377 3.560 30 20 CHED Cc1cc(NC(=O)C[C@H](C)CC(C)(C)C)n(CCC#N)n1 604480543 ULENDLGMHYRLLR-LBPRGKRZSA-N 290.411 3.506 30 20 CHED C=CCCCNc1cc2c(cc1OCC)C[C@H](C)O2 607150020 TXIFJNKGISGTCY-LBPRGKRZSA-N 261.365 3.787 30 20 CHED CC(F)(F)CCC(=O)N(CCC#N)c1ccc(F)cc1 609522130 LAJURRMHWPWLPC-UHFFFAOYSA-N 284.281 3.508 30 20 CHED C[C@H](NC(=O)N(C)c1ccc(F)cc1)c1cccc(C#N)c1 610406426 ACYINNBHMUEUPA-LBPRGKRZSA-N 297.333 3.604 30 20 CHED CCN(CCCC(C)(C)C#N)CCC(F)(F)F 610447778 XCMLILMEMWKODM-UHFFFAOYSA-N 250.308 3.591 30 20 CHED CCC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CC1 611394596 RYNVGFQEGALJIK-MRXNPFEDSA-N 254.377 3.715 30 20 CHED CC(C)CCc1nc(CN2CCC[C@@](C)(C#N)C2)cs1 612164994 HPOIIJSBTJOCMH-INIZCTEOSA-N 291.464 3.857 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCCC(C)(C)C 615694279 QGBIRGMYNLZASG-UHFFFAOYSA-N 292.398 3.960 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccc(C)cc1 615971504 KOOJNDXNLKVDNT-UHFFFAOYSA-N 283.346 3.963 30 20 CHED CC[C@@H](NCC1CCSCC1)c1ccc(C#N)cc1 618568513 ZGEQETZMXBUORK-MRXNPFEDSA-N 274.433 3.742 30 20 CHED Cc1cc(=N[C@H]2CCc3cc(C#N)ccc32)c2ccccc2[nH]1 618693927 UJQPCHIZVZMFJZ-IBGZPJMESA-N 299.377 3.936 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)cc1F 618740941 AIGGEJURBOFHCS-KRWDZBQOSA-N 284.309 3.614 30 20 CHED CCC(CC)CNCc1ccc(C#N)c(Cl)c1 619748557 IKOZZHSDZLLTEI-UHFFFAOYSA-N 250.773 3.737 30 20 CHED C=CCC1(NC(=O)[C@@H](CCC)OCC)CCCCC1 627659518 WHSUTUOGIKEVIT-CQSZACIVSA-N 267.413 3.587 30 20 CHED C=CCCCCCN(C)C(=O)c1ccnn1CC1CCC1 631436145 ICRUBLANADOURL-UHFFFAOYSA-N 289.423 3.502 30 20 CHED C=CC[C@H](c1ccccc1)c1nc(COC2CCC2)no1 634670149 IJXALQLIRZYSPZ-OAHLLOKOSA-N 284.359 3.847 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@@H]2CNC[C@@H]2C1)c1ccccc1 643549225 VDTNFPNUCCIYFX-HCXYKTFWSA-N 284.447 3.672 30 20 CHED C=CC(C)(C)C(=O)NCCCc1ccc(C)cc1C 648095005 NKWCIBBGWBEOLP-UHFFFAOYSA-N 259.393 3.564 30 20 CHED C=CCC1(NCc2oc(CCC)nc2C)CCCC1 661851551 WRJAWVZFUWMLBJ-UHFFFAOYSA-N 262.397 3.914 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@H](C)c1ncc(C)s1 664659560 XFLRVNBHJDEGEP-NSHDSACASA-N 295.452 3.599 30 20 CHED C=CCCNC(=O)N(C)[C@H](c1ccccc1)C(C)C 665945004 AFTTZOHGULTPCK-HNNXBMFYSA-N 260.381 3.601 30 20 CHED C=CCCS(=O)(=O)Nc1ccccc1CCC(C)C 676233031 DHNDJXWIVOUCFQ-UHFFFAOYSA-N 281.421 3.593 30 20 CHED C=CCCCCNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 681146523 VYYODHXAUFXTBQ-ZFWWWQNUSA-N 275.392 3.808 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(N(C)C)cc1 696034422 OMOOVYBCLUGWIG-AWEZNQCLSA-N 278.465 3.713 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C(C)(C)C 702238991 HBQMREHBBQNKJB-CHWSQXEVSA-N 251.414 3.613 30 20 CHED C=CCN(C(=O)N[C@H]1CCCC[C@H]1CCC)C(C)C 728399779 HNYORTQDNOVHPV-CABCVRRESA-N 266.429 3.951 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1scnc1Cl 729431759 FSISCVCIRGBUPV-UHFFFAOYSA-N 299.827 3.589 30 20 CHED Oc1ccccc1/C=N\CCCc1c[nH]c2ccccc12 730732489 JGESVFYICFZJSC-UNOMPAQXSA-N 278.355 3.925 30 20 CHED CC[C@@](C)(NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 730760786 NGZDNSOPRMEJPL-LJQANCHMSA-N 292.382 3.542 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc3nc(O)[nH]c3c2)c1C 731157158 SQLFXSFEKRFOJQ-VQHVLOKHSA-N 292.338 3.781 30 20 CHED C=C(C)CNC(=S)N1CCCc2cc(Cl)cc(F)c21 731568853 VHQJQFYJKFYRJJ-UHFFFAOYSA-N 298.814 3.682 30 20 CHED C=CCNC(=S)N(CCC)c1ccc(Cl)cc1 731946521 SKNIRYPUSBXFDX-UHFFFAOYSA-N 268.813 3.617 30 20 CHED C#Cc1cccc(N(CC)C(=O)CO[C@H]2CCC[C@H](C)C2)c1 732936291 JQZKPIXVZBBYPY-YJBOKZPZSA-N 299.414 3.616 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)c1ccccc1F)c1ccncc1 734460350 OXKMCOVKGFSFOP-GUYCJALGSA-N 298.361 3.758 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 735066612 SKTKVEMVIWHDOV-CYBMUJFWSA-N 282.387 3.789 30 20 CHED CC(=NO[C@H](C)c1nc(C)no1)c1cc2ccccc2o1 736296261 AHVCHGWBXRHIIR-SNVBAGLBSA-N 285.303 3.626 30 20 CHED C=CCCNc1ccc(OC(F)F)cc1OC(F)F 740874294 PQUQXHHMVFFFCM-UHFFFAOYSA-N 279.233 3.877 30 20 CHED CCC(=NNc1cc(CC)nc(-c2ccccn2)n1)C1CC1 741164431 KUGOOCLPPUHARA-UHFFFAOYSA-N 295.390 3.689 30 20 CHED C=CCCOC(=O)c1ccc(CN(CC)CCC)cc1 741337313 GJWYSXVBRNMDMU-UHFFFAOYSA-N 275.392 3.651 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H](C)Cc2cccs2)c1 741464483 PDBDAVNBMSWIDD-UEMWTREESA-N 289.400 3.760 30 20 CHED C[C@H](NC(=O)/C=C\c1ccccc1C#N)C1CCCCC1 741596975 PXAJCXWZJBOGCF-NYHXXUGCSA-N 282.387 3.656 30 20 CHED COc1ccc(CN[C@H]2CCc3ccc(C)cc32)cc1C#N 742369634 AQHVPMCWUFVHAO-SFHVURJKSA-N 292.382 3.652 30 20 CHED CCC[C@H](C)C(CC)=NNC(=S)Nc1cccnc1 748245089 VONBELRTFQPSNU-NSHDSACASA-N 278.425 3.570 30 20 CHED COc1ccc2c(c1)OCC2=NNc1ccccc1Cl 749158103 OKYAKELHKAVJIP-UHFFFAOYSA-N 288.734 3.557 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCC[C@@H](N(C)C)C1 749456377 YRBYEXXEDQCSOP-HZPDHXFCSA-N 282.472 3.726 30 20 CHED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(O)cc1 750900383 NHEFFZCVNOLZFG-VKDZAETISA-N 295.294 3.753 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(O[C@H](C)C#N)cc1 750938525 JQZXETGOPRWEGJ-CYBMUJFWSA-N 297.333 3.871 30 20 CHED C#CCCCNC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 751098310 BQWFHRVLXWWEIF-INIZCTEOSA-N 286.419 3.795 30 20 CHED CCCCCCCC(=O)N1CCSC(C)(C)C1 751418737 QKAOFDZXGYWXKI-UHFFFAOYSA-N 257.443 3.701 30 20 CHED C[C@H](OC(=O)c1cc(C#N)cs1)c1ccc(F)cc1 752174058 MPTFEEQFGULEIX-VIFPVBQESA-N 275.304 3.677 30 20 CHED C#C[C@H](CC)NC(=O)C1(c2c(Cl)cccc2Cl)CC1 754367541 XVZRZCJOBAFAHT-SNVBAGLBSA-N 296.197 3.553 30 20 CHED C#Cc1cccc(NCCCOCCc2ccccc2)c1 754843299 CZHOQAXIPJGKQJ-UHFFFAOYSA-N 279.383 3.729 30 20 CHED C[C@@H](CC=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 755650745 WVDPQZWVJFWUDX-LBPRGKRZSA-N 284.319 3.581 30 20 CHED C[C@H](CC=NNc1nccnc1Cl)c1ccccc1 755717941 UMRNQRUDRUHHHM-LLVKDONJSA-N 274.755 3.722 30 20 CHED C#CC[C@@H](NC(=O)c1csc(C(C)C)n1)c1ccccc1 757596801 JFZUXFHAOGCOGW-CQSZACIVSA-N 298.411 3.761 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1Cc1ccccc1C 758887774 HLZKGQZOTJIRMK-GOSISDBHSA-N 298.430 3.515 30 20 CHED C[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)C1CCCC1 758956676 MXZAHYQBECXBBI-LLVKDONJSA-N 275.323 3.567 30 20 CHED CC(=NNc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 759179188 KKNFXJQUGJVGLU-UHFFFAOYSA-N 293.370 3.752 30 20 CHED C#CCCCC(=O)OCCCc1ccc(Cl)cc1 759182514 MFHUAPDGYYFTOS-UHFFFAOYSA-N 264.752 3.619 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C#N)cc2)cnc1Cl 760264175 KQJQCQUYZYXCLM-DAXSKMNVSA-N 282.730 3.811 30 20 CHED Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)cnc1Cl 760682431 FWKRIJJOLYPNOH-LBPRGKRZSA-N 285.778 3.766 30 20 CHED C#CCOc1ccc(-c2nc([C@H](C)CCC)no2)cc1 761849035 ZFGKVKGVWWEKIL-GFCCVEGCSA-N 270.332 3.652 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(C(F)F)cc2)s1 764553251 PXOXISFAMGRNKJ-UHFFFAOYSA-N 293.294 3.914 30 20 CHED C#CCN(C(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CC1 764678033 IQMJQYCGVKWFGQ-HNNXBMFYSA-N 290.794 3.598 30 20 CHED CC(C)(CC#N)COC(=O)/C=C\c1ccc2[nH]ccc2c1 764848002 MAEAHUFRLMUVRY-XQRVVYSFSA-N 282.343 3.664 30 20 CHED COc1ccc(CCNN=C2CC(C)(C)C[C@@H]2C)cc1 766020168 LHKKELUIRDAMQI-ZDUSSCGKSA-N 274.408 3.639 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCCc1ccsc1 766582223 VOMCAMSZCBLEOS-HNNXBMFYSA-N 278.421 3.515 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1O 768370517 KIMDFYXOKVRFNB-UHFFFAOYSA-N 286.158 3.687 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H](C)CCC2CC2)cc1 768952146 KXSQYEDJOKRNPB-KGLIPLIRSA-N 272.392 3.646 30 20 CHED CCc1cnccc1C(C)=NNc1c(C)cccc1F 769827646 GWTGPMCPNIOLKJ-UHFFFAOYSA-N 271.339 3.928 30 20 CHED COc1cc(C=NNc2c(F)cccc2Cl)ccc1O 769830078 WBPKMDFZTPODPW-UHFFFAOYSA-N 294.713 3.639 30 20 CHED C=C(C)CCOC(=O)c1cc2ccc(OC)cc2nc1C 770146151 VPJQZPMWAUHPCF-UHFFFAOYSA-N 285.343 3.675 30 20 CHED C#CCCc1noc(/C=C(/CC)c2ccc(C)cc2)n1 770877318 ZJMLEPIDEBGVDL-OWBHPGMISA-N 266.344 3.894 30 20 CHED CCN(C(=O)C1(F)CCCC1)[C@H](C)c1ccc(C#N)cc1 772350737 OLIVLFMNNQWQKK-CYBMUJFWSA-N 288.366 3.750 30 20 CHED C=CCC[C@H](NC(=O)COC1(C)CCC1)c1ccccc1 773088699 NWNCCQGLUBJBQZ-INIZCTEOSA-N 287.403 3.769 30 20 CHED CCCCCCCCN[C@H](C(=O)N1CCCC1)C(C)C 775421438 GXOSYUAQNQOTEK-INIZCTEOSA-N 282.472 3.584 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N[C@H]1CCCOCC1 776320267 KGYDMEXHFLXSOE-CVEARBPZSA-N 298.471 3.851 30 20 CHED C=CCNC(=S)Nc1cc(Br)c(C)cc1C 776734451 XHFZUSTUFIPYOT-UHFFFAOYSA-N 299.237 3.538 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Cc2ccccc2CC#N)c1 776836663 OSQCHJLFUXOGQR-UHFFFAOYSA-N 292.382 3.575 30 20 CHED CCC(=NOCCC(F)(F)F)c1cccs1 777462663 GPEWSXWCAPGNNY-UHFFFAOYSA-N 251.273 3.831 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccc(O)cc1 779358879 YEGRGELAGMKUBR-XVNBXDOJSA-N 294.137 3.990 30 20 CHED COc1cccc(NN=C(C)c2ccc(OC(C)C)cc2)n1 779818324 OUJNWZWPUAXYEF-UHFFFAOYSA-N 299.374 3.714 30 20 CHED COc1cccc(NN=C(C)c2nc3ccccc3s2)n1 779820366 IFIQJEUEPSONDM-UHFFFAOYSA-N 298.371 3.536 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C(C)=C(/C)CC 779878928 GZMYRHWBFAVZJT-YPKPFQOOSA-N 273.351 3.534 30 20 CHED C[C@H]1CC(C(=O)OCc2ccc(CC#N)cc2)C[C@H](C)C1 780031212 GNCHUMAUASZVHB-ZIAGYGMSSA-N 285.387 3.868 30 20 CHED C[C@@H]1CCCC(=NNc2ncccc2Cl)[C@@H]1C 781123519 XXSDJGZNOLERON-NXEZZACHSA-N 251.761 3.959 30 20 CHED CCSc1ccc(Cl)cc1C(=O)O[C@H](C#N)CC 781191599 CSDCIBMKJYYQDM-JTQLQIEISA-N 283.780 3.911 30 20 CHED CC[C@H]1CC[C@H](C(=O)Oc2ccc(C#N)cc2OC)CC1 782212100 AGDNYBIWLCSDTP-MQMHXKEQSA-N 287.359 3.689 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccccc1CC 782440968 YEWLARLJJMNNDP-QGZVFWFLSA-N 276.376 3.521 30 20 CHED C=CCCCCCOC(=O)c1cccc(C(C)=O)c1 784204072 ZGTYJGUFGYPYAX-UHFFFAOYSA-N 260.333 3.792 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1ccc(CC)cc1 785752131 BMWKCOWOHIGEEE-QGZVFWFLSA-N 274.360 3.577 30 20 CHED CC#CCCOC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786486352 IMLJKWJGQFVTGG-CYBMUJFWSA-N 269.344 3.618 30 20 CHED C#CCC1(C(=O)Nc2cccc(OCC)c2)CCCCC1 788170381 BACXXRNJEFQPFJ-UHFFFAOYSA-N 285.387 3.998 30 20 CHED Cc1cc(C=NNc2ccccc2F)cc(Cl)n1 788709561 MLPXLZYLJPDPSK-UHFFFAOYSA-N 263.703 3.629 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2C)cc(Cl)n1 788722238 NHZOLHQHEMJMTK-UHFFFAOYSA-N 277.730 3.937 30 20 CHED N#Cc1cccc(S/C=C\c2ccc([N+](=O)[O-])o2)c1 789923239 XQBPUXVAXCYKBX-SREVYHEPSA-N 272.285 3.822 30 20 CHED CC(CC1CCOCC1)=NN1CCC(C(C)(C)C)CC1 790182054 WASHZCDAFVVIRX-UHFFFAOYSA-N 280.456 3.937 30 20 CHED CC[C@@H](C)CC(=O)OCc1ccc(Cl)cc1C#N 791506028 WOAGBGHWJAWQSP-SNVBAGLBSA-N 265.740 3.691 30 20 CHED C=C(Cl)CNC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 792597996 DEKWEAKXVDURKS-AAEUAGOBSA-N 277.795 3.845 30 20 CHED C[C@H]1CN(Cc2cc(C#N)ccc2F)Cc2ccccc21 793498012 NTUJBANTTBJYPF-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED N#C[C@H](NC(=O)[C@H](F)CC1CCCCC1)C1CCCCC1 793608334 FPNYRSUJZDJNQS-CVEARBPZSA-N 294.414 3.884 30 20 CHED CC(CCc1ccccc1F)=NNc1ncccc1F 794985138 RGELZPRLGKPLFA-UHFFFAOYSA-N 275.302 3.780 30 20 CHED CC[C@@H](C)CCC(=O)O[C@@H](C)c1ccc(C#N)cc1 797098888 GWNCUEBNPJNHPY-OLZOCXBDSA-N 259.349 3.989 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@](C)(CC)c1ccccc1 798407527 BKBKOKVWWJWELF-NVXWUHKLSA-N 274.408 3.966 30 20 CHED C#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(C)C 799042761 OCSFDUAOFAJZBU-FHWLQOOXSA-N 291.394 3.717 30 20 CHED COc1ccccc1CON=Cc1ccc(F)cc1C 799118667 PKTJTOWIFDLZSU-UHFFFAOYSA-N 273.307 3.693 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H]2CC(C)C)cc1C#N 799596096 HDZODCPHOIZFLT-INIZCTEOSA-N 270.376 3.517 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1c(C)cc(C)cc1O 799884076 CGZGTKZMEVCNKU-UHFFFAOYSA-N 294.358 3.721 30 20 CHED Cc1ccc(C=NNc2ccccc2)c(-c2cnn(C)c2)c1 802704555 VGARVVPKCLVAAR-UHFFFAOYSA-N 290.370 3.842 30 20 CHED C=C(Cl)COC(=O)c1cc(Cl)c(Cl)nc1C 805719812 KXWOIESXYHIOQZ-UHFFFAOYSA-N 280.538 3.606 30 20 CHED Cc1nn(C)c2sc(C(=O)/C=C\c3cccc(O)c3)cc12 806578977 QWVJJUSGZMZXRM-SREVYHEPSA-N 298.367 3.545 30 20 CHED C#C[C@@H](NC(=O)c1ccc(-c2ccccc2)o1)C(C)(C)C 807880113 RFCBADGYKYIRFL-MRXNPFEDSA-N 281.355 3.724 30 20 CHED CC(=NOCC(F)(F)F)c1cc(Cl)cc(C)c1O 807978419 RKRKTZSQBNTPKU-UHFFFAOYSA-N 281.661 3.657 30 20 CHED C#C[C@H](NC(=O)N(CCC)Cc1ccccc1)C(C)(C)C 808315090 SXEAPCVVRCZORF-INIZCTEOSA-N 286.419 3.656 30 20 CHED C#CCCc1noc(-c2cc(Cl)ccc2OCCC)n1 809397487 VHKCVQPZYSMKDX-UHFFFAOYSA-N 290.750 3.745 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](c1nncn1C)C(C)C 809692369 VEWDGCXWBIKQRL-CABCVRRESA-N 278.444 3.627 30 20 CHED C#C[C@H](N[C@H](C)C1CC1)c1ccc(Cl)cc1F 809699603 UVOYWNWXKIRANS-OTYXRUKQSA-N 251.732 3.542 30 20 CHED C#C[C@@H](NCc1ccc(F)c2cccnc12)C(C)(C)C 809781840 BWRMOWASSPTYGM-OAHLLOKOSA-N 270.351 3.511 30 20 CHED C#CCCOc1c(Cl)cc(Cl)c2cccnc12 809979752 ABIBKQIWIIZBFH-UHFFFAOYSA-N 266.127 3.944 30 20 CHED C=CCCOC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373667 JTVZWYQOEPDASJ-UHFFFAOYSA-N 290.102 3.635 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(C#N)c(O)c1 811589781 GEIFNKJVBIUMEI-UHFFFAOYSA-N 286.375 3.520 30 20 CHED Cc1ccc(OC(F)F)c(C=NOC/C=C/Cl)c1 811669578 QTKLOJBDJGJBFW-VXXAXXLESA-N 275.682 3.699 30 20 CHED C=CCCCCCCCNC(=O)NCc1ccc(O)cc1 811927497 SWKFLDBCVZGAAC-UHFFFAOYSA-N 290.407 3.718 30 20 CHED CCc1ccccc1NN=C(C)c1cc(F)c(N)c(F)c1 814802019 QXWMMFUZENWGOG-UHFFFAOYSA-N 289.329 3.946 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CS[C@@H](C(C)C)C1 814824079 IGFARWAUMHJFPB-CQSZACIVSA-N 293.392 3.833 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1C)c1cccc(N)c1 814930968 ADAOEVCIAPCJHO-UHFFFAOYSA-N 298.346 3.712 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccco1 814944342 ZYZSXEQUWNFJET-UHFFFAOYSA-N 254.211 3.533 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(Cl)c(F)c1 815039587 YZYNRFPCBCXAIV-UHFFFAOYSA-N 263.646 3.629 30 20 CHED N#Cc1ccccc1OCC[C@@H]1CC1(Cl)Cl 818059688 OKTXWORVKUSFGO-SNVBAGLBSA-N 256.132 3.521 30 20 CHED CC(C)n1cc(C=NNc2cc(Cl)nc(Cl)c2)cn1 819830807 FTFFBVKHRLYDEJ-UHFFFAOYSA-N 298.177 3.612 30 20 CHED C[C@]1(CNc2ccc(F)cc2C#N)CC1(Cl)Cl 828797918 FCWJOUYJYZNQCM-LLVKDONJSA-N 273.138 3.693 30 20 CHED Cc1cc(NCC[C@@]2(C)CC2(Cl)Cl)cc(C#N)n1 829063262 QGXNSXIPKNPADZ-LBPRGKRZSA-N 284.190 3.648 30 20 CHED CCCCCCCCC(=O)N(C)CCc1ccccn1 830778256 MLWMNPOEFUHOAG-UHFFFAOYSA-N 276.424 3.833 30 20 CHED Cc1cccc(C=NNc2nccnc2C2CCC2)c1F 834979645 LLIUIUJFDFFGHD-UHFFFAOYSA-N 284.338 3.638 30 20 CHED CC(=NNc1c(C)cccc1Cl)[C@H]1CCCOC1 835012374 ZBCRKSHFJINXGX-LBPRGKRZSA-N 266.772 3.863 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)[C@@]1(C)CC=CCC1 835339109 WTKDMAFEPRABHR-HOTGVXAUSA-N 266.381 3.505 30 20 CHED N#CCc1cccc(NC(=O)N2CCCCCCC2)c1 836763066 FMAHEYPEDHHNAN-UHFFFAOYSA-N 271.364 3.551 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(N2CCCCC2)cc1 837307690 XNJNOVHYHWSIHH-UHFFFAOYSA-N 284.403 3.665 30 20 CHED CC(C)Oc1ccc([C@H](C)NC(=O)C#CC(C)(C)C)cc1 837335809 ZTRIFJJUOJFMKK-AWEZNQCLSA-N 287.403 3.701 30 20 CHED C#CCC[C@H](C)OC(=O)C[C@@H](C)c1ccc(OC)cc1 839037812 UUUFXOXIJZFLIX-KGLIPLIRSA-N 274.360 3.534 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccccc2OC(F)F)C1 839060351 ZRICHRCZCPBJFE-MNOVXSKESA-N 295.285 3.527 30 20 CHED CCCCCCO[C@@H](C)C(=O)N(C)c1cccc(C#N)c1 840286236 JABQBRHYGWAUMC-AWEZNQCLSA-N 288.391 3.506 30 20 CHED CCC(=NNc1cc(C(F)(F)F)ccn1)[C@@H]1C[C@H]1C 841639992 JBTLGHIZKZFNOE-PSASIEDQSA-N 271.286 3.934 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCC(F)(F)CC1 842522308 NGELRUDNYCZSFY-UHFFFAOYSA-N 297.374 3.847 30 20 CHED C=C(C)CONC(=O)Nc1ccc(SC(F)F)cc1 844478653 CXVJRLPDSSXUCX-UHFFFAOYSA-N 288.319 3.631 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc3c2OC(C)(C)C3)no1 844550316 MKVMWBAFUGFQHF-FPLPWBNLSA-N 283.327 3.593 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@H](C)CSc1ccccc1 844683699 CSLPCMQPTWOWQH-CQSZACIVSA-N 289.444 3.675 30 20 CHED C=CCC[C@@H](C)OC(=O)c1ccc2ccncc2c1 845423260 XVWMHIUSASCXGY-GFCCVEGCSA-N 255.317 3.746 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2ccncc2c1 845423347 ZFMHIALLOVBBRK-UHFFFAOYSA-N 282.343 3.722 30 20 CHED Cc1cc(Br)cc(C(=O)O[C@@H](C)CC#N)c1C 850841809 GMTBCGQYWQLZHI-VIFPVBQESA-N 296.164 3.525 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc(F)ccc1Cl 851204281 NZMLHLKERZKKIX-SECBINFHSA-N 283.730 3.964 30 20 CHED C#Cc1cccc(N(CC)Cc2cc(C3CC3)no2)c1 851838520 JAGKTGZTODHGTH-UHFFFAOYSA-N 266.344 3.560 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc3c(c2)COC3)C1 852412008 YERJGQAEIHLVFK-CQSZACIVSA-N 257.377 3.505 30 20 CHED Cc1ccc(C)c(NN=Cc2cc(C(F)(F)F)nn2C)c1 853275455 IXZYYALKNZFRIC-UHFFFAOYSA-N 296.296 3.502 30 20 CHED COC1(C(C)=NNc2cccc(Cl)c2F)CCC1 853296390 DOIRLLVZIQXDEX-UHFFFAOYSA-N 270.735 3.836 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1ncncc1Cl 853335694 CVEVHKBKSKGYBR-SNVBAGLBSA-N 264.760 3.664 30 20 CHED C=CC[C@H]1CCCCC1=NN[C@H](C)c1ccncc1 853358415 AALUFAOHIFIVDL-HIFRSBDPSA-N 257.381 3.855 30 20 CHED C#CCCCCCC(=O)N1CC[C@H]1c1ccc(F)cc1 855564245 FPIUWKPMUMGYCW-INIZCTEOSA-N 273.351 3.683 30 20 CHED Clc1cnc(NN=C2CCCCc3ccccc32)nc1 857221552 GIZRCGIHPPKWNA-UHFFFAOYSA-N 286.766 3.673 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)O[C@H](C)C(C)(C)C#N 860623200 HAIDKGWXVSVTGM-ZIAGYGMSSA-N 273.376 3.655 30 20 CHED Cc1cccc(NN=C2CC(c3ccc(F)cc3)C2)n1 863159549 AAZCZSWBIPAWAV-UHFFFAOYSA-N 269.323 3.875 30 20 CHED C[C@@H]1OCC[C@H]1Sc1c(Br)cccc1C#N 865639306 QWZACCKHYFMOIW-GZMMTYOYSA-N 298.205 3.590 30 20 CHED C#CC[C@@H](Nc1cc(C2CC2)ncn1)c1ccccc1 882136803 RJJTULCGSFFYNR-OAHLLOKOSA-N 263.344 3.531 30 20 CHED C=CCC1(O)CCN([C@H]2CCc3c(Cl)cccc32)CC1 886774791 VUVIEGYBTMAEFT-INIZCTEOSA-N 291.822 3.730 30 20 CHED C=C1CCC(C(=O)N(Cc2ccccn2)C(C)C)CC1 888302446 UXGYKTVLCKOUFD-UHFFFAOYSA-N 272.392 3.565 30 20 CHED C=C1CCC(C(=O)N[C@@H](c2ccccn2)C(C)C)CC1 889073485 VANNLVKWYVIZJI-MRXNPFEDSA-N 272.392 3.641 30 20 CHED CCCCCC(C)(C)C(=O)Nc1ncc(C#N)s1 896485284 YMAJKQFWLQEEGZ-UHFFFAOYSA-N 265.382 3.560 30 20 CHED C=C1CCC(C(=O)NCc2nc(C(C)C)cs2)CC1 897007730 OATBIEXTORZFDW-UHFFFAOYSA-N 278.421 3.629 30 20 CHED CCO[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 901414063 XEMSBHIODVBLBS-MRVPVSSYSA-N 290.310 3.755 30 20 CHED CC[C@@H](NCCC(O)(CC)CC)c1cccc(C#N)c1 902969143 BYEVQCFEJWDDHT-MRXNPFEDSA-N 274.408 3.540 30 20 CHED CC[C@H](NCC1(C#N)CCC1)c1cccc(Cl)c1O 903035568 RHSPNGUDAXEBCP-ZDUSSCGKSA-N 278.783 3.780 30 20 CHED C=CCCCCCN[C@@H](C(=O)O)c1ccc(Cl)cc1 905373630 MZUPJDKCOOUFED-CQSZACIVSA-N 281.783 3.802 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccsc1C#N 906710390 NLWGIDQMGRNRHN-TZMCWYRMSA-N 296.395 3.638 30 20 CHED C=CCN(C(=O)Cc1cccc(C(F)(F)F)c1)C(C)C 914683097 FXGNIXARAZSBIM-UHFFFAOYSA-N 285.309 3.671 30 20 CHED CC(C)CN(CC(C)C)C(=O)/C=C/c1ccccc1C#N 914745047 CFJYGFIXDLNDHI-MDZDMXLPSA-N 284.403 3.712 30 20 CHED Cc1ccc(NC(=S)NN=Cc2ccsc2)cc1C 915919031 HVDFONSSHUUBHT-UHFFFAOYSA-N 289.429 3.685 30 20 CHED CC(=NNC(=S)Nc1ccccc1)c1cccc(C)c1 915923866 RWWZLVJSOGVUNG-UHFFFAOYSA-N 283.400 3.706 30 20 CHED CC(=NNc1nccc2sccc12)c1cccnc1 915978016 ABFWFVGYIHIGDI-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C/C(=C\C(=O)OCc1ccc(C#N)cc1F)c1ccccc1 917978962 QWDVEVLEDBATMG-UKTHLTGXSA-N 295.313 3.844 30 20 CHED COc1ccc(O)c(C=Nc2ccc(F)cc2C)c1 920942015 GDTHKAQTFIQAES-UHFFFAOYSA-N 259.280 3.599 30 20 CHED COc1cc(C=NNc2cccc(Cl)c2F)ccc1O 921137527 BCYWEQHCIQNEOH-UHFFFAOYSA-N 294.713 3.639 30 20 CHED Oc1cccc(C=NNc2cccc(Cl)c2F)c1 921137937 USCZEMOWGIHYEM-UHFFFAOYSA-N 264.687 3.631 30 20 CHED COc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1O 921263363 BWSQDKHEGRFUFD-RIYZIHGNSA-N 280.323 3.532 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCCO[C@@H]1C(C)(C)C 925104386 YJEMTLIBHAOIQM-KFWWJZLASA-N 280.456 3.746 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc2nc(O)oc2c1 926792251 YRRAPOCGLCVLJH-GHMZBOCLSA-N 287.363 3.512 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(Cc1cccs1)C1CC1 929905805 MDUNWGHCXUGENO-UHFFFAOYSA-N 296.395 3.733 30 20 CHED Cc1cccc2c1CN(C(=O)Nc1sccc1C#N)CC2 931840781 QESJSXACOVRTHH-UHFFFAOYSA-N 297.383 3.518 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 933860154 KXORNWMEZPDATP-BPQIPLTHSA-N 296.414 3.887 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 934424260 BVFGTFGNOBDMMN-WBVHZDCISA-N 299.414 3.853 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 935212937 UWXWRQGDVBCHCF-AHIWAGSCSA-N 293.382 3.620 30 20 CHED C[C@H](C#N)OC(=O)c1ccc(-c2cccs2)s1 1116543090 QWDRTZINGRDTRN-MRVPVSSYSA-N 263.343 3.545 30 20 CHED CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1 1120791217 ORSAKVRATOFBTD-CYBMUJFWSA-N 276.767 3.616 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2)c(F)c1 1126930593 YLEZDJPWWQZYDF-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)CC#Cc1ccccc1 1131312195 QCJSVYOSORCCDT-DOTOQJQBSA-N 269.388 3.608 30 20 CHED Cc1ccc(Nc2cc(C#N)cnn2)cc1OCCC(C)C 1162584992 VVEODFBDRWKMDF-UHFFFAOYSA-N 296.374 3.825 30 20 CHED Cc1cc(CN2CC[C@H]3CCCC[C@@H]3C2)ccc1C#N 1180404700 XEQKOCQIRXVIRU-SJLPKXTDSA-N 268.404 3.879 30 20 CHED N#CCc1ccc(-c2nnc(-c3ccccc3F)o2)cc1 1257673121 MIUJCGOGILHLQE-UHFFFAOYSA-N 279.274 3.609 30 20 CHED C=CCn1cnnc1SC[C@@H](CC)CCCC 1317866104 ATFWAFVSQUMNLX-LBPRGKRZSA-N 253.415 3.773 30 20 CHED CC(=NNCC1CCOCC1)c1ccc(CC(C)C)cc1 1321886070 IMIKOKJABLMOAG-UHFFFAOYSA-N 288.435 3.625 30 20 CHED C=CCCC(=NNc1ccc(C(C)(C)C)nn1)C1CC1 1324267494 RRLBOWDZSKMNRN-UHFFFAOYSA-N 272.396 3.918 30 20 CHED CSc1ccccc1C(C)=NOCCOC(C)C 1330057868 KPAHNDRBNYHUPK-UHFFFAOYSA-N 267.394 3.574 30 20 CHED CCC[C@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 1336163382 MKJHUSODZCVTTF-SJORKVTESA-N 284.403 3.865 30 20 CHED CC[C@H](C#N)N(CC)C(=O)/C=C/c1ccc(SC)s1 1338330190 VRIQOHGMJJHKOU-LXSSAFMLSA-N 294.445 3.634 30 20 CHED Cc1c(C(=O)O[C@H]2CC[C@@H](C#N)C2)oc2ccc(F)cc12 1342663728 KRPOOAROTGVONQ-PWSUYJOCSA-N 287.290 3.729 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2csc(C#N)c2)c1C 1344096732 VRYAZFBAICXBSV-GFCCVEGCSA-N 284.384 3.728 30 20 CHED CCc1ccccc1CC(=O)O[C@@H](CC#N)c1ccco1 1344937497 RSPSCQYKIOMQAT-INIZCTEOSA-N 283.327 3.583 30 20 CHED CC(C)n1cccc1-c1nnc(-c2ccc(C#N)cc2)o1 1345867091 NHQKANCIHBTYEA-UHFFFAOYSA-N 278.315 3.658 30 20 CHED C[C@H](NC(=O)C12CCC(CC1)CC2)c1ccc(C#N)cc1 1346570786 UJUXDALWMYRJKD-VNSJNIRKSA-N 282.387 3.706 30 20 CHED N#CC[C@@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccco1 1346719686 BWICQHBDGUPAIE-RHSMWYFYSA-N 295.338 3.898 30 20 CHED C[C@H](SCc1ccc(C#N)cc1)c1cccnc1 1346880000 BPMZHRPYJNRWFU-LBPRGKRZSA-N 254.358 3.948 30 20 CHED N#C[C@@H](C(=O)C1CC2(CC2)C1)c1nc2cccc(Cl)c2[nH]1 1347392308 RZHRFGKNNLULMF-JTQLQIEISA-N 299.761 3.583 30 20 CHED CC[C@@H](Nc1cccc(CC#N)n1)c1ccccc1 1348483691 SEWLULSCLUBBBN-OAHLLOKOSA-N 251.333 3.711 30 20 CHED C=CCC1(C(=O)OCCC(F)(F)C(F)(F)F)CCC1 1349639492 HECRBEBZBYWXQI-UHFFFAOYSA-N 286.240 3.864 30 20 CHED Cc1ccc2occ(CC(=O)Nc3ccc(C#N)cc3)c2c1 1352715705 WWNNQPRUIVUSOO-UHFFFAOYSA-N 290.322 3.794 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)ccc1Cl 1472676318 FACQZEHZDPVYHC-VXUPGSCNSA-N 287.794 3.843 30 20 CHED N#Cc1cc(F)cc(NC/C=C/c2cccc(F)c2)c1 1474235816 KHOYTFQYVZYFEX-DUXPYHPUSA-N 270.282 3.962 30 20 CHED Cc1csc(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1C#N 1476558962 NQZVEBAYRDNXBC-ZYHUDNBSSA-N 291.420 3.971 30 20 CHED N#C[C@@H](C(=O)CC1CCC1)c1nc2cccc(Cl)c2[nH]1 1520067985 BCXUWOUIKXJBIR-JTQLQIEISA-N 287.750 3.583 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 1529884355 GLDWCRKWZUIOIH-MLGOLLRUSA-N 288.366 3.786 30 20 CHED C[C@H](C(=O)Nc1cccc(CC#N)c1)c1cccc(F)c1 1545047434 JSIATMQZVUFEFH-LBPRGKRZSA-N 282.318 3.634 30 20 CHED Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1C#N 1587891014 KKFKTHCUFAIDHM-UHFFFAOYSA-N 294.354 3.906 30 20 CHED CCCCCCCN[C@@]1(C)CCCC[C@H]1C(=O)O 1595704524 SCXBNCNXRXYQQW-ZFWWWQNUSA-N 255.402 3.580 30 20 CHED N#Cc1ccccc1SC[C@H]1CCCC[C@@H]1C(=O)O 1601127914 YROFIOMUQDQCEZ-OLZOCXBDSA-N 275.373 3.541 30 20 CHED C[C@H]1CCCC[C@H]1CCNc1ncc(C#N)cc1F 1642270539 UJJBQYIWZLHWGO-AAEUAGOBSA-N 261.344 3.721 30 20 CHED C[C@@H]1OCC[C@@H]1CSc1ccc(Cl)cc1C#N 1651842251 FOROMSYULUSJFO-VHSXEESVSA-N 267.781 3.729 30 20 CHED N#Cc1ccc(CNCc2ccc3occc3c2)cc1F 1658352158 XTDZPDXFUQJRKP-UHFFFAOYSA-N 280.302 3.733 30 20 CHED N#Cc1ccsc1NC(=O)NC[C@@H]1CCC[C@H]1C1CC1 1671450124 XACYAXUVSAVUIB-STQMWFEESA-N 289.404 3.568 30 20 CHED Cc1ccc(C=NNc2ccc(C(=O)O)cc2)cc1Cl 1776012856 RMLQWOMXNOBMKF-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC[C@]1(C)CCCC1=NNc1ccc(C(=O)O)cc1OC 1776050727 YAEMSLACPMILDG-MRXNPFEDSA-N 290.363 3.762 30 20 CHED Cc1cc2c(s1)C/C(=C\c1ccc(C(=O)O)cc1)C2=O 1777428129 UGRUSSSQQSCUQD-KPKJPENVSA-N 284.336 3.577 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(C(=O)O)s1)C2=O 1777455938 PBJIWWVEWMGEOR-JXMROGBWSA-N 284.336 3.577 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/C=C/c2cccc(F)c2)c1 1777684885 HTLXBJQZGPHWOO-PADGRZNPSA-N 296.297 3.976 30 20 CHED C=CCSCC(=O)Nc1c(Cl)cccc1Cl 6022285 OOMCPRZFHLRBMC-UHFFFAOYSA-N 276.188 3.851 30 20 CHED N#Cc1cc(NCCCCC(F)(F)F)ccc1F 151901536 VJSHLZCMHFRFJH-UHFFFAOYSA-N 260.234 3.842 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1cccs1 116974080 HHVABDXGVVUICW-NWDGAFQWSA-N 264.394 3.559 30 20 CHED C=CCCC(=O)Nc1cccc(COCCOC(C)C)c1 102244566 CZWUMROFUGFLLQ-UHFFFAOYSA-N 291.391 3.533 30 20 CHED N#CCCCN1CCCCC[C@H]1C[C@H](O)c1cccs1 175863365 QVPQSDPBQSDXLN-GJZGRUSLSA-N 292.448 3.720 30 20 CHED CC(C)CN(C)c1cc(Br)c(C#N)cc1F 309515356 XORRFLGNLXAAKV-UHFFFAOYSA-N 285.160 3.552 30 20 CHED C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1cccc(O)c1 105461112 JCBIPBCALQUIIS-KGLIPLIRSA-N 296.370 3.534 30 20 CHED C=CCN(Cc1cccs1)Cc1cccc(C)c1O 179603177 GYJQUANVJYKQKE-UHFFFAOYSA-N 273.401 3.950 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 116971314 ZXBIOJSIGTUESP-WBVHZDCISA-N 286.419 3.676 30 20 CHED CCCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 464838895 ZPXNFRHOEWQHII-SJORKVTESA-N 256.393 3.948 30 20 CHED CCCOc1cccc(-c2nc3cc(C#N)ccc3[nH]2)c1 107793137 SVOMLSFPSYUQFW-UHFFFAOYSA-N 277.327 3.890 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1oc2ccccc2c1C 119172850 GADXVLMMWUQREP-AWEZNQCLSA-N 298.386 3.905 30 20 CHED CCOc1cccc(C(=O)Nc2cccc(C#N)c2C)c1 178373308 VVTUMKCERWCKND-UHFFFAOYSA-N 280.327 3.518 30 20 CHED C=C(Cl)CN1CCC(Cc2cccc(F)c2)CC1 71953308 GXRJTBAKDAKPOV-UHFFFAOYSA-N 267.775 3.833 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CCN(C)c1ccccc1 303720926 RRXHIOJKXRMIQN-INIZCTEOSA-N 293.414 3.687 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1c1c(C#N)cccc1C#N 302910866 ZHWVVWWOZTXFQM-KSSFIOAISA-N 287.366 3.812 30 20 CHED C[C@H](C#N)CNC(=O)c1ccccc1Sc1ccccc1 173647889 YEZCJEROYRUVLY-CYBMUJFWSA-N 296.395 3.727 30 20 CHED C[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccc(C#N)cc1 111143998 VHZRTZZTUDCLQP-SNVBAGLBSA-N 283.281 3.881 30 20 CHED Cc1cc(C)cc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 43274682 JJSCCXKPHZPZRT-UHFFFAOYSA-N 293.370 3.839 30 20 CHED CCc1oc2ccccc2c1/C=C/C(=O)c1cnn(C)c1C 179851887 KCFHJEULUITQES-MDZDMXLPSA-N 294.354 3.933 30 20 CHED C=CCC[C@@H](NCc1ccc(CN(C)C)cc1)C1CC1 119906128 FXYWRJKBKIWJGW-GOSISDBHSA-N 272.436 3.583 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 176861866 WYRAYSDYVUDOQQ-HEHGZKQESA-N 290.382 3.883 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1ccc(F)c(F)c1 111689821 NKHFJWQEVBMYBL-DAXSKMNVSA-N 260.239 3.567 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ncccc1-c1ccccc1 179465758 GITKDLUCWSUDFB-CQSZACIVSA-N 296.370 3.668 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccnc1Cl)C2 176938059 ASPZNKQAALNLIE-WQLSENKSSA-N 285.730 3.566 30 20 CHED C[C@H](CN(CC#N)C1CC1)c1ccc(C(F)(F)F)cc1 501104167 ZEJBDPCOSKDQMA-LLVKDONJSA-N 282.309 3.797 30 20 CHED C[C@@H](N[C@H](C)c1ccc(F)cc1O)c1ccc(C#N)cc1 62746769 VPHQRPKUZSTEKZ-VXGBXAGGSA-N 284.334 3.815 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(Oc2ccccn2)c1 174517104 DBTRWXGZVZFZAM-CYBMUJFWSA-N 297.358 3.960 30 20 CHED N#Cc1ccc(NCC2([C@@H](O)c3ccccc3)CC2)c(F)c1 129901760 JAJPZGPCMKQHKI-KRWDZBQOSA-N 296.345 3.623 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(OC)c(OC)c2)cc1 33395935 KDGUURGSSDZPQG-POHAHGRESA-N 298.338 3.609 30 20 CHED C[C@H]1C[C@H](c2ccc(F)cc2)CN1CCCCC#N 76810346 ZVLBKAUWHKDUNS-ZFWWWQNUSA-N 260.356 3.697 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2ccccc2C)c1 73012221 GARNSQNDVIDUCG-SFHVURJKSA-N 294.398 3.966 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](OCC)c1ccccc1 182613504 PPNVQTDBSBCALA-HOCLYGCPSA-N 275.392 3.625 30 20 CHED CC#CCCCC(=O)N[C@H](C)Cc1ccc(C)cc1C 185509689 MIZKIOGIAOFFQV-MRXNPFEDSA-N 271.404 3.544 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(CN(C)C)c2)cc1 38684166 KPCBNQKKQXOAJG-FMIVXFBMSA-N 295.382 3.653 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cc(C#N)cs1 127595023 ANDPUYRTNRNBQH-CJNGLKHVSA-N 282.412 3.998 30 20 CHED C[C@H](CCC#N)N(C)Cc1cccc(C(F)(F)F)c1 411171564 IXSBPGQUYZYMEF-LLVKDONJSA-N 270.298 3.829 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 416103052 OQMDWWHCRLFCOL-MZMPZRCHSA-N 296.414 3.878 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCC(C)C 412837143 HFYWTQCEWYHMIQ-INIZCTEOSA-N 259.393 3.726 30 20 CHED COC(=O)c1ccccc1CSc1ccccc1C#N 505502382 XBXSFOARUASCNJ-UHFFFAOYSA-N 283.352 3.637 30 20 CHED Cc1ccc(C(=O)COc2ccc(C#N)cc2F)cc1C 127490707 DSEWDMWQDYHUFA-UHFFFAOYSA-N 283.302 3.576 30 20 CHED C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 77499931 ZQJPDYCHAJQARW-LLVKDONJSA-N 283.306 3.580 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccnc(C)c1 120154514 YRZALIQSKLXXFS-UHFFFAOYSA-N 261.369 3.600 30 20 CHED Cc1ccc(S[C@@H](C)C(=O)N[C@H](C#N)C(C)(C)C)cc1 122126538 KLQYGWMNJDJCDW-GXTWGEPZSA-N 290.432 3.530 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCCOc1ccc(F)cc1 189960589 NIZJZQOIDYYEBR-QGZVFWFLSA-N 293.382 3.703 30 20 CHED N#CCC(=O)Nc1ccccc1-c1nc2ccccc2s1 122035715 GANILDJWSJSUOR-UHFFFAOYSA-N 293.351 3.815 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)CSc1ccc(C)cc1 187589468 PGARLEMFKNKLOB-CQSZACIVSA-N 289.444 3.641 30 20 CHED Cc1cccnc1CNc1ccc(Cl)cc1C#N 71344336 NSPSKJVTYYHRPE-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C[C@@H](NC(=O)NCCCC1CCCC1)c1ccc(C#N)cc1 31105684 ONEYOYNPZUSGSB-CQSZACIVSA-N 299.418 3.889 30 20 CHED CC(C)(CC#N)COC(=O)c1cc2ccccc2o1 184768042 DVDURWNBOFUIGR-UHFFFAOYSA-N 257.289 3.529 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 410627157 RZTUPCDUCLMBRU-SCLBCKFNSA-N 299.418 3.716 30 20 CHED CCOc1cccc(C(=O)/C=C/c2c(C)nn(CC)c2C)c1 76106481 QXPRQOPNPFCBHW-ZHACJKMWSA-N 298.386 3.815 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N[C@@H](C#N)C2CCCCC2)cc1 182295397 UPNDLTFXSDGYMO-YJBOKZPZSA-N 298.430 3.762 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(Cl)s1 130488538 JZUKXPSIFFJKGQ-JTQLQIEISA-N 259.802 3.645 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2C#N)C[C@H]1C 410555065 GEPQEYNOMRQOSR-UTUOFQBUSA-N 274.339 3.708 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC)cc1OC 182769024 LKINUXFNJXTPBB-GFCCVEGCSA-N 292.379 3.570 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC=CCC1 77642615 AEZFHBUMAJWBAM-QGZVFWFLSA-N 297.402 3.589 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CCC[C@@H]1C 185908153 OOAPBQBMFMFRCW-YJBOKZPZSA-N 296.414 3.899 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C[C@@H]2CCC[C@@H](C)C2)C1 328833525 LPUFAPCIHWWRQP-XQHKEYJVSA-N 266.385 3.524 30 20 CHED C=CCCOCC(=O)Nc1ccc(SC(F)F)cc1 138538910 DPBFMECOQHYAAL-UHFFFAOYSA-N 287.331 3.533 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)CCc1cccc(F)c1 410823503 AIORGJNGMVXXKI-XJKSGUPXSA-N 290.382 3.545 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc4ncccc4c3)no2)c1 322880747 ARJZNPRXUNHSMJ-UHFFFAOYSA-N 298.305 3.823 30 20 CHED N#Cc1ccccc1CN1CC[C@@H]1c1cccc(F)c1 610505212 CKVIJKKCTPEQEC-QGZVFWFLSA-N 266.319 3.644 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 410123951 VBGHPXDTNKLQJE-STQMWFEESA-N 295.810 3.887 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(OCC3CC3)cc2)cn1 191280367 YXIKKXDOXOFWHI-JXMROGBWSA-N 296.370 3.588 30 20 CHED CCC1CC(=O)C(=CNc2ccccc2Cl)C(=O)C1 194954729 IFUNOBDRRIZFRS-UHFFFAOYSA-N 277.751 3.594 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2ccc(F)c(F)c2)c1 222323636 WABKVKIQVDGCKC-DAXSKMNVSA-N 288.249 3.559 30 20 CHED OC(CC1(O)CCCCC1)=Nc1scnc1C1CC1 328904512 ADESCBNUZLVKIF-UHFFFAOYSA-N 280.393 3.694 30 20 CHED C=CCn1c(C(C)C)nnc1N1CC[C@@H](c2ccccc2)C1 508479537 AYEXTORUOCFEGO-MRXNPFEDSA-N 296.418 3.581 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)C(C)(C)C 505706436 NWCAWZHOEZASGR-GWCFXTLKSA-N 278.783 3.703 30 20 CHED C[C@@H](NC/C=C\c1ccccc1)c1ccc(C#N)cc1 220554803 BJCJEZNNQVOPCQ-GTBONMDNSA-N 262.356 3.922 30 20 CHED C[C@@H](OC(=O)Cc1cccc2ccccc12)C(C)(C)C#N 131711041 WVPFKOIWSPHKQW-CYBMUJFWSA-N 281.355 3.864 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)Cc1ccccc1C 190760777 OKVCFERACWATEV-YOEHRIQHSA-N 259.393 3.645 30 20 CHED Cc1cnc(C(C)(C)/N=C(/O)[C@@H]2CCC(=O)[C@@H](C)C2)s1 329394035 SRWSCYAZGRFMNL-GXSJLCMTSA-N 294.420 3.648 30 20 CHED Cc1c(NC(=O)[C@]2(C)CCC[C@@H]2C)ccc(C#N)c1C#N 421557270 LEWDITBIUSNJPW-APPDUMDISA-N 281.359 3.503 30 20 CHED N#Cc1ccc(NCCc2cccc3ccccc23)nc1 42108926 SMRNOTBUNWVJDA-UHFFFAOYSA-N 273.339 3.761 30 20 CHED Cc1cc(N=C(O)c2ccnc(C3CC3)c2)nc(C(C)C)n1 329344183 UEFFJIXNPHJHOD-UHFFFAOYSA-N 296.374 3.817 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/C[C@H](C)SC)cc1 130714509 XBYQIXGIVOQHMC-RYUDHWBXSA-N 279.453 3.678 30 20 CHED CCCCCCCCS(=O)(=O)c1ccoc1C 191081329 YESISTZRUDMGHU-UHFFFAOYSA-N 258.383 3.722 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(Br)c(C)c1 135474351 GDYVXSCEIBCGMO-UHFFFAOYSA-N 294.192 3.572 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@H]1C 45603473 IRRIKBWZABIHDC-KOLCDFICSA-N 269.797 3.572 30 20 CHED CCN(Cc1cccs1)Cc1ccccc1C#N 42211387 YKHYXEYKYHXZSX-UHFFFAOYSA-N 256.374 3.642 30 20 CHED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(F)(F)F 427099358 GJHOZIGBOMCGTC-MRVPVSSYSA-N 286.322 3.875 30 20 CHED CC(C)c1ccc(C(=O)NCc2ccc(C#N)s2)s1 421605904 XUKYTYLGQWNHMY-UHFFFAOYSA-N 290.413 3.735 30 20 CHED O=C(/C=C/c1nccn1-c1ccccc1)c1ccc(F)cc1 191209101 RWFDFNSUYYPFIY-ZHACJKMWSA-N 292.313 3.908 30 20 CHED CCCN(Cc1ccccc1)c1nccc(C)c1C#N 384421731 YXJCTQRWJCCNRH-UHFFFAOYSA-N 265.360 3.678 30 20 CHED COc1cccc(C2(NCc3ccc(CC#N)cc3)CC2)c1 510238019 HMXREZIYTRDPNZ-UHFFFAOYSA-N 292.382 3.540 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@H](C#N)C1CCCCC1 330525456 JTALYXDPBBRUMA-IUODEOHRSA-N 264.413 3.647 30 20 CHED Cc1ncsc1C/N=C(/O)c1scnc1C(C)(C)C 331029602 XXEMAWFYNQPAPK-UHFFFAOYSA-N 295.433 3.710 30 20 CHED OCC1(/N=C(/O)Nc2ccc(C3CCC3)cc2)CCCC1 330222216 RSAUOYVGLHPDTR-UHFFFAOYSA-N 288.391 3.585 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 331087568 DVBPWWNZHBKVQC-DZGCQCFKSA-N 288.416 3.609 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 425854267 XLECDDXEUWYOID-BHYGNILZSA-N 299.418 3.689 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1(C)CCCC1 335134847 ULHXODCKLIATFY-CYBMUJFWSA-N 270.376 3.658 30 20 CHED N#Cc1cnc(NCC2(c3ccccc3)CC2)c(Cl)c1 339237115 YSDMUAMZSAULBA-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc2cccc(C)c2s1 519221756 HTHOXNUZWZOFDN-LBPRGKRZSA-N 272.373 3.632 30 20 CHED C[C@@H]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 237387886 BNKUNGFEHVVLKB-DOMZBBRYSA-N 281.321 3.835 30 20 CHED COc1cccc2c(CN[C@@H]3CC[C@H](C#N)C3)cccc12 424207263 XQRQJYDJNHXVNZ-DZGCQCFKSA-N 280.371 3.630 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H](c3cccnc3)C2)s1 421347585 CSAYGDSHLVXGPC-HIFRSBDPSA-N 297.427 3.831 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 335517066 WOILHSPPQJHKNI-GXTWGEPZSA-N 293.432 3.639 30 20 CHED CSc1c(F)cccc1C(=O)NC1(C#N)CCCCC1 334771988 JGOQVQSSYMIOLI-UHFFFAOYSA-N 292.379 3.504 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 332671850 FIQNPAJLJASNOF-XQLPTFJDSA-N 276.424 3.647 30 20 CHED CCCC(CCC)C(=O)Nc1ccc(C#N)c(C#N)c1C 421552270 BIGFDDCTNUQVKR-UHFFFAOYSA-N 283.375 3.893 30 20 CHED Cc1cccc(OCc2cccc(F)c2C#N)c1C 427514414 CIAXNYFWOZKLSO-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C[C@@H](C(=O)N[C@@H]1CCC12CCCC2)c1cccc(C#N)c1 335386314 IOYPKQUNTAYUJA-CZUORRHYSA-N 282.387 3.501 30 20 CHED N#Cc1cc(C(=O)Nc2ccsc2Cl)ccc1F 334277072 DELSZZSXCQZCBO-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@H](NCCCC(F)(F)F)c1ccc(C#N)cc1 97988585 CULZVOLZVADTRP-JTQLQIEISA-N 256.271 3.551 30 20 CHED C[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)[C@@H]1C 437899903 XVJMKPUGNNJFEA-NWDGAFQWSA-N 294.345 3.780 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(F)cc2F)no1 528201838 TXFKFUFUDAMXST-UHFFFAOYSA-N 277.274 3.596 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(COCC)c1 439498314 JDLFHVQEWRDYJG-AWEZNQCLSA-N 276.380 3.699 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2ccc(C)cc21 436288209 DRRNOCWXJNBBET-UHOSZYNNSA-N 285.431 3.943 30 20 CHED N#CCc1ccc(CN(Cc2ccccc2)C2CC2)cc1 342766537 VWDPMNOHLTUKKD-UHFFFAOYSA-N 276.383 3.917 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 248451060 YGMDZSUVXPKWST-CWRNSKLLSA-N 261.409 3.792 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1C[C@H]1C(F)F 348253787 FLYGHIIBZDCBEL-QLFBSQMISA-N 276.330 3.569 30 20 CHED C=C(C)CCNc1cccc(-c2ccnc(C)n2)c1 345416050 SHZXOSJMVWHCCC-UHFFFAOYSA-N 253.349 3.830 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(Cl)cc1C(F)(F)F 297862726 VYVATPDWMMOGQO-UHFFFAOYSA-N 289.684 3.500 30 20 CHED Cc1ncc([C@@H](C)N(C)[C@H](C)c2cccc(C#N)c2)c(C)n1 602691981 JWQAWALLZYKOOO-ZIAGYGMSSA-N 294.402 3.719 30 20 CHED CC(C)Oc1ccccc1C=NOCc1ccccc1C#N 255066372 WAMQQVOUVVBGKF-UHFFFAOYSA-N 294.354 3.896 30 20 CHED CCN(Cc1nc2cc(C)ccc2s1)C[C@@H](C)C#N 528365658 LZOLESMCCBBTBR-LBPRGKRZSA-N 273.405 3.586 30 20 CHED N#CCc1ccc(C[S@@](=O)c2ccc3c(c2)CCC3)cc1 342128204 KNRCIFNCBDCCNP-OAQYLSRUSA-N 295.407 3.549 30 20 CHED COc1cccc(C=Nc2cccc3cccnc23)c1O 255896986 WQILJOHXDDQXPC-UHFFFAOYSA-N 278.311 3.700 30 20 CHED Cn1cc(/C=C2\Cc3cc(F)ccc3C2=O)c(C(C)(C)C)n1 255511654 YJXRRRPXJIOGSD-XYOKQWHBSA-N 298.361 3.679 30 20 CHED C[C@H](CCC#N)CN[C@H]1CSCc2ccccc21 602530513 BKAFVCZHXZYSFQ-DOMZBBRYSA-N 260.406 3.504 30 20 CHED CC(C)c1cccc(N(CCO)C[C@@H](C)CCC#N)c1 602701025 YLQXONFRDARSDP-HNNXBMFYSA-N 274.408 3.549 30 20 CHED CN(CC1(CC#N)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 602827165 ATSSHVLGODFTDS-TXEJJXNPSA-N 274.330 3.733 30 20 CHED CC(=O)N1C(=Nc2ccccc2Cl)SCC1(C)C 254944770 YCYPWINVOQYRFN-UHFFFAOYSA-N 282.796 3.701 30 20 CHED CC(C)Oc1cccc(NCc2ccc(C#N)o2)c1 449468594 PZIUCHZVHIIXNK-UHFFFAOYSA-N 256.305 3.551 30 20 CHED C=CCCN(C)C(=O)Nc1c2c(cc3c1CCC3)CCC2 353934497 XXGNCQWTVAMTGB-UHFFFAOYSA-N 284.403 3.704 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2cc(C#N)cs2)C1 353125407 BBDOCEHHMSFCQY-OAHLLOKOSA-N 282.412 3.918 30 20 CHED N#CC1(C(=O)Nc2cccc3[nH]ccc23)CCCCC1 263842520 SDXQXFBAETZHCX-UHFFFAOYSA-N 267.332 3.580 30 20 CHED CCc1ccc([C@H](C)C(=O)N(CC#N)c2ccccc2)cc1 609020614 KCGWPMYWGGRURH-HNNXBMFYSA-N 292.382 3.909 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1cc2cccc(F)c2o1 357146596 ZAWXOVSTWSMHBN-JTQLQIEISA-N 288.322 3.689 30 20 CHED Cc1cccc2nc(CSc3ccc(C#N)cc3F)cn12 358063905 JWDAHYFWHAFTQF-UHFFFAOYSA-N 297.358 3.946 30 20 CHED C=CCCCCCOc1ccc(C(C)=O)cc1[N+](=O)[O-] 447285279 OIWBXDKOUWMOFB-UHFFFAOYSA-N 277.320 3.923 30 20 CHED C[C@H](N[C@@H](C)c1nc2c(s1)CCC2)c1ccc(C#N)cc1 355131022 ZDEMHVAOVVXKJL-RYUDHWBXSA-N 297.427 3.915 30 20 CHED N#Cc1ccc(CN[C@@H]2CSCc3ccccc32)s1 610511944 YWBLSVAUVUTAPM-OAHLLOKOSA-N 286.425 3.697 30 20 CHED CS[C@@H]1CCCCN(Cc2cn3ccccc3c2C#N)C1 441144956 VKQPJOBTNZLKRR-OAHLLOKOSA-N 299.443 3.528 30 20 CHED N#Cc1c(COc2cccc(F)c2)cn2ccccc12 530872172 QDACWLZYBANTOJ-UHFFFAOYSA-N 266.275 3.529 30 20 CHED CCC(C)(CC)C(=O)NCc1ccc(C#N)c(Cl)c1 619764962 PWACZEXYHHRYJY-UHFFFAOYSA-N 278.783 3.654 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cncc2ccccc12)OCC 534751790 GZQHWFFGJGMPND-INIZCTEOSA-N 284.359 3.545 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(CCC)CC1 448141633 ZZCXVVCDMJFAEC-UHFFFAOYSA-N 263.406 3.843 30 20 CHED CC[C@H]1CCCCN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618852484 UYIBNNLMVIMITE-DOTOQJQBSA-N 297.402 3.520 30 20 CHED C=CCOc1ccc(CN2CC3(CC3)C2)cc1Cl 449370486 KKWPIRHRCLJIRE-UHFFFAOYSA-N 263.768 3.501 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1ccc(F)cc1F 614397660 MXYXASVKTLFFNI-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C[C@@H](NCCCCC#N)c1nc2ccccc2n1C(F)F 264169404 YNUUMUPEVZKDFF-LLVKDONJSA-N 292.333 3.776 30 20 CHED C=CCCN[C@H](C)[C@H](OC)c1ccccc1Cl 537588725 ILSLYKDUSKFVAC-RISCZKNCSA-N 253.773 3.582 30 20 CHED CC(C)(NC(=O)NCCCCC#N)c1ccc(Cl)cc1 264096511 QTCQPYQDSFFKBJ-UHFFFAOYSA-N 293.798 3.568 30 20 CHED C=CCC1(NC(=O)Cc2ccc(Cl)s2)CCCC1 619111344 ZNJOVEJWNPPFLI-UHFFFAOYSA-N 283.824 3.949 30 20 CHED C=CCCc1noc(C(C)(C)c2ccccc2OC)n1 453242359 WZNMVDAASCFCNT-UHFFFAOYSA-N 272.348 3.523 30 20 CHED C=CCN[C@@H](COc1ccccc1F)c1ccccc1 538169056 BXUCPUWZNUQXCL-INIZCTEOSA-N 271.335 3.721 30 20 CHED C=CCCCCNC(=O)Nc1ccc2c(c1)CCCC2=O 455704192 AAPUTFMORKSRDL-UHFFFAOYSA-N 286.375 3.683 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc[nH]1 537271151 NNBXXMRIZAPYRK-UKRRQHHQSA-N 275.396 3.606 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(CC#N)c1 455902680 HAUGKPHWLPRRLW-CYBMUJFWSA-N 271.364 3.619 30 20 CHED C=CCN(C(=O)N[C@@H](c1ccc(C)cc1)C1CC1)C1CC1 538956977 FZPANGPPLKXJSP-KRWDZBQOSA-N 284.403 3.806 30 20 CHED C=C(CC)CNC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 455518017 FSDDCEIRLTVKJQ-HOCLYGCPSA-N 272.392 3.540 30 20 CHED COCc1ccc([C@@H]2CCCN2C[C@H](C)CCC#N)o1 619568588 BRWVZEVCMIDVLG-HIFRSBDPSA-N 276.380 3.503 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2ccccc2[C@@H]1C 455370453 RESZPUVZFRYZEX-ZDUSSCGKSA-N 272.392 3.528 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C2=CC[C@H](C)CC2)cc1 456047456 LVJOGLOIOAPMNY-GUYCJALGSA-N 282.387 3.676 30 20 CHED CO[C@@H]1C[C@@H](NCc2ccccc2C(C)(C)C#N)C12CCC2 459774932 USXDMBAVUDHFAW-IAGOWNOFSA-N 298.430 3.535 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C)cc1Br 454198381 JGMVZDPWWOJEKY-UHFFFAOYSA-N 297.196 3.845 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccnn1[C@H](C)CC(C)C 455142748 MAAKTOSMPPDUHX-CYBMUJFWSA-N 292.427 3.824 30 20 CHED CCSc1ccc([C@H](C)NC(=O)CCCC#N)cc1 360144880 YENFWFNQZRXZCM-LBPRGKRZSA-N 276.405 3.670 30 20 CHED C=CCC1(NC(=O)CSc2ccncc2)CCCCC1 456370434 COQIGPICPWBIQH-UHFFFAOYSA-N 290.432 3.569 30 20 CHED CCC[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)C(C)C 611199866 NZAHAANZBQNYEG-BBRMVZONSA-N 272.392 3.808 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)C1 547408162 VARYEIWNBOHWRL-QXCFYTAISA-N 296.414 3.721 30 20 CHED N#CCc1ccc(NC(=O)CC2CC(F)(F)C2)c(Cl)c1 452653546 ZVYOODUMHHONBN-UHFFFAOYSA-N 298.720 3.780 30 20 CHED N#CCC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 361862896 RAEFHYJHCQYFPB-GOSISDBHSA-N 293.345 3.832 30 20 CHED C=CCN(CC=C)C(=O)C1CCC(C(F)(F)F)CC1 278199958 HHSIHDWCBHJXEZ-UHFFFAOYSA-N 275.314 3.556 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(OCC)ccc1Cl 456055790 ZOYRJHFZKCKMQU-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C=CCC1(CNC(=O)CC[C@@H]2CC[C@H](C)O2)CCCC1 456482207 DCWKTBQREPMCLZ-GJZGRUSLSA-N 279.424 3.587 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(C)c(C)c1 456943627 DAHJBRDLJLRCDT-QGZVFWFLSA-N 259.393 3.864 30 20 CHED C=CC[C@@H](C)N[C@H](c1ccc(Cl)cc1)c1nccn1C 453151252 WHZSOJJOCAJGLH-IUODEOHRSA-N 289.810 3.717 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 362379226 JLNXYJHJQYBJEB-IUODEOHRSA-N 272.392 3.673 30 20 CHED C=CCC1(CNC(=O)CC[C@H]2CC[C@H](C)O2)CCCC1 456482209 DCWKTBQREPMCLZ-LSDHHAIUSA-N 279.424 3.587 30 20 CHED N#Cc1cccc([C@@H]2CN(CCC3=CCCCC3)CCO2)c1 450637880 BFWHLIFSXLXMDA-IBGZPJMESA-N 296.414 3.822 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@@H](c3ccccc3)C2)c1 273158845 ARWVXFWGISLAPT-GOSISDBHSA-N 290.366 3.755 30 20 CHED C=CCC1(CN[C@@H](c2ccccc2)c2nc[nH]n2)CCCC1 453384901 UGMVICZDZZHMNP-INIZCTEOSA-N 296.418 3.620 30 20 CHED C#CCCCCC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 278782158 PSZFGBFOCXUOIO-WMZOPIPTSA-N 283.415 3.893 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)Cc1cccc(C#N)c1 546866006 PUIYUUWLXDQOEQ-OAHLLOKOSA-N 292.382 3.595 30 20 CHED COC(=O)c1ccc(SCc2ccc(CC#N)cc2)cc1 544073708 UWKXNJVRYHERDU-UHFFFAOYSA-N 297.379 3.832 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](CCC)c1ccccn1 620856874 DDTHVGCWLCILNQ-AWEZNQCLSA-N 274.408 3.826 30 20 CHED Cc1ccc(C)c(OC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 278761265 XVOARCDFFCCVRN-DLBZAZTESA-N 298.430 3.839 30 20 CHED C=CCN(CC[C@@H]1CCCO1)CC1CCCCC1 469587782 XNXARPKDYXNQQF-INIZCTEOSA-N 251.414 3.624 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C)=C(C)C1 460956100 AEKGXSYXXKPLNW-ZDUSSCGKSA-N 288.439 3.914 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(CCC)s1 621351393 QATLLAIWINFBEQ-CZUORRHYSA-N 279.449 3.771 30 20 CHED C=CCCCC(=O)NCCn1ccc2cc(Cl)ccc21 552718968 KIURLFPVWYEPLH-UHFFFAOYSA-N 290.794 3.767 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(NC(=O)OC)c1C 281812882 ONOVNZQFORVIQA-INIZCTEOSA-N 290.363 3.714 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC1(c3cccc(F)c3)CC1)CC2 554999795 NXANAUNNGQWLOM-SFHVURJKSA-N 292.357 3.964 30 20 CHED COc1cccc([C@@H]2C[C@H](C)CN2c2ncccc2C#N)c1 373282988 ZKXUQBQOGXMWPP-GUYCJALGSA-N 293.370 3.549 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1c1ccc(C)cc1 460377936 VAWVBZNOVDLWNZ-KRWDZBQOSA-N 296.418 3.813 30 20 CHED C=CCN(C)C(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 466855304 ZTQCXNXTKORZDV-UHFFFAOYSA-N 296.773 3.553 30 20 CHED Cc1cc(C#N)cnc1C(=O)NC1CC(C)(C)CC(C)(C)C1 556711061 HUPBFOJPZFXOFP-UHFFFAOYSA-N 299.418 3.596 30 20 CHED CCc1ccc2occ(C(=O)N(CC#N)C3CCCC3)c2c1 286411388 JZDINRXWXTVMBN-UHFFFAOYSA-N 296.370 3.904 30 20 CHED Cc1nnc(NCCCCC2CCCC2)c(C#N)c1C 462949163 ZZJOWMZDDPBCOP-UHFFFAOYSA-N 272.396 3.738 30 20 CHED Cc1cnn(C)c1/C=C1\C[C@@H](C)c2ccccc2C1=O 285084184 LGOFXJAFRKIFOG-VSXLWIIGSA-N 266.344 3.502 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@H]1CCCOC1 388951331 UQAHXCZAVLUSBJ-QWRGUYRKSA-N 298.308 3.804 30 20 CHED C=C(C)CCc1noc([C@H]2CCC(=O)[C@@H](C)C2(C)C)n1 289103378 LIAOSFPONRAYOU-VXGBXAGGSA-N 276.380 3.687 30 20 CHED Fc1cc(Br)ccc1C=NNCC1CCCC1 808005753 JJXUOXQMPMTHNF-UHFFFAOYSA-N 299.187 3.702 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCCC1(C)CC1 472222994 NCMYZDMNDVPPET-UHFFFAOYSA-N 290.382 3.714 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2c(F)cc(F)cc21 557748325 OQCUMBUECWDCPA-NSHDSACASA-N 294.345 3.782 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(NC(C)=O)ccc1Cl 292394395 CCJAMGHTCISKMI-UHFFFAOYSA-N 294.782 3.839 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](CC)c1nc(C)cs1 292943196 XVOIDGFZZVMODB-NSHDSACASA-N 266.410 3.621 30 20 CHED CC1(NC(=O)c2ccc(C(C)(C)C#N)cc2)CCCCC1 475107447 FBCMBFJQXAYFTI-UHFFFAOYSA-N 284.403 3.940 30 20 CHED N#CCCCC(=O)OCc1csc2ccccc12 291107975 IMYAIADCNKOWQW-UHFFFAOYSA-N 259.330 3.638 30 20 CHED C=CCC(CC=C)C(=O)N(CC)[C@H]1CCOC(C)(C)C1 291697744 UEVYHLBKEMTPHB-HNNXBMFYSA-N 279.424 3.561 30 20 CHED C=CC(C)(C)c1nc(Cc2c[nH]c3cccc(OC)c23)no1 297900652 WDELHKRYLFKVML-UHFFFAOYSA-N 297.358 3.614 30 20 CHED C[C@H]1/C(=C/c2ccccc2C#N)C(=O)c2ccccc21 809155653 CPPRUCMWGHWJSQ-HJPCULJESA-N 259.308 3.942 30 20 CHED N#Cc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c(F)c1 806579968 XKHOYBZBXCGOKA-WDZFZDKYSA-N 298.704 3.568 30 20 CHED C=C(CNCc1cc(F)ccc1C)c1ccccc1 479961259 KVJRZXIMQAXRGX-UHFFFAOYSA-N 255.336 3.937 30 20 CHED C#C[C@@H](NC(=O)N(CCC)Cc1ccccc1)C(C)(C)C 808315091 SXEAPCVVRCZORF-MRXNPFEDSA-N 286.419 3.656 30 20 CHED C=C(C)CS(=O)(=O)N(CCC)[C@H](CC)c1ccccc1 477540441 VQLYLLJWOFQBLM-MRXNPFEDSA-N 295.448 3.756 30 20 CHED CCS[C@@H](C)c1noc(-c2ccc(C)c(C#N)c2)n1 809437060 PHHHGDJSGWICJV-JTQLQIEISA-N 273.361 3.731 30 20 CHED C=CCC1(C(=O)Nc2nc(CC)co2)CCCCC1 569822642 POMFZIQWQGHEMV-UHFFFAOYSA-N 262.353 3.702 30 20 CHED C=CCOCCCOc1cc(Br)ccc1F 475877861 BTQFGJIGPPQVPH-UHFFFAOYSA-N 289.144 3.560 30 20 CHED CC(C)c1ccc(CN(c2cc(C#N)ncn2)C2CC2)cc1 562418014 COVLJGNBHUQAKE-UHFFFAOYSA-N 292.386 3.641 30 20 CHED N#Cc1cc(Cl)cc(OC(=O)N2CCc3ccccc32)c1 808319684 GHAFOOKGNBBZMT-UHFFFAOYSA-N 298.729 3.773 30 20 CHED C#CC[C@@H](Nc1ccc2c(n1)CCCC2=O)c1ccccc1 297559939 RLLIMKNOLHBEMQ-MRXNPFEDSA-N 290.366 3.777 30 20 CHED C#CC[C@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 804579182 OKGATCVVICHVES-NSHDSACASA-N 287.775 3.845 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCC(C)=C(C)C1 648411467 FAYGZNSIRXHMGF-OAHLLOKOSA-N 296.370 3.836 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C 476145477 IKBIYHUBXBXIHA-WMLDXEAASA-N 286.419 3.918 30 20 CHED COc1ccc(CNc2cncc3ccccc23)cc1C#N 396454014 XESBLEBPSNOZFF-UHFFFAOYSA-N 289.338 3.727 30 20 CHED Cc1ccc(C=NOC2CCCC2)c(-c2ccnn2C)c1 802712544 PCQZIQKWIHWZRK-UHFFFAOYSA-N 283.375 3.689 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@@H](C)C1(C)CC1 807572905 SZAFSDIANPFKJA-AWEZNQCLSA-N 266.429 3.953 30 20 CHED N#CC1(C(=O)NC[C@@H](c2ccccc2)C2CC2)CCCCC1 294434154 GMPJCGCPEGJUMY-KRWDZBQOSA-N 296.414 3.770 30 20 CHED CC(C)(C#N)CCCOC(=O)C1(F)CCCCC1 811247769 KFONBZZAUBVNFO-UHFFFAOYSA-N 255.333 3.532 30 20 CHED CC[C@H](C#N)OC(=O)CCSc1cccc(Cl)c1 808702452 HVDXKASLMJXOMJ-LLVKDONJSA-N 283.780 3.668 30 20 CHED CN(C)Cc1ccc(CN(C)CC(C)(C)CCC#N)cc1 809737781 KXFVTCSBXISVDK-UHFFFAOYSA-N 287.451 3.510 30 20 CHED N#Cc1ccc(OCc2nc(C3CCCCCC3)no2)cc1 568748965 FEGOGOMPZOGVSA-UHFFFAOYSA-N 297.358 3.958 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)c(F)c2)cc1O 811699562 VIFKBFVCXAGHRC-ALCCZGGFSA-N 286.302 3.744 30 20 CHED N#CCCCCNc1cc(SCc2ccccc2)ncn1 566478864 SPNCLOVWSMVFDX-UHFFFAOYSA-N 298.415 3.875 30 20 CHED Cc1cnc(CN[C@H](C)c2ccc(C#N)cc2Cl)s1 565459238 QTOBHADOTZSZAF-SNVBAGLBSA-N 291.807 3.827 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 485070343 SCPLZPVDZHCODF-AWEZNQCLSA-N 278.355 3.684 30 20 CHED C[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cc(C#N)cs1 816225005 NDPMVZCBCQLXOR-JFGNBEQYSA-N 263.362 3.601 30 20 CHED C=CCN(Cc1cnn(C)c1Cl)CC1CCCCC1 816510576 ZTUOOFCPIHJJKW-UHFFFAOYSA-N 281.831 3.642 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N(CCC#N)CC(C)C)C1(C)C 818032184 SVOUUULMDAJKMJ-HUUCEWRRSA-N 276.424 3.623 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccccc2C#N)c1 814871093 YETOPTHODYJOHZ-UHFFFAOYSA-N 283.306 3.542 30 20 CHED CCc1cc(NN=C2CC[C@@H](C)C2)nc(-c2ccccn2)n1 814841384 ODTHFTKUDJRDPN-GFCCVEGCSA-N 295.390 3.689 30 20 CHED C[C@H](C(=O)OCC#Cc1cccc(Cl)c1)C(C)(F)F 815487987 RYZJKALNLAPRST-SNVBAGLBSA-N 286.705 3.526 30 20 CHED CC(CCc1cccc(C)c1)=NNC[C@H]1CCSC1 811662305 HWVSQGWWAFLJCF-MRXNPFEDSA-N 276.449 3.646 30 20 CHED C=C[C@@H](CC)OC(=O)Cc1c[nH]c2cccc(Cl)c12 816004983 WAXQKQUWHCLTNG-NSHDSACASA-N 277.751 3.872 30 20 CHED CCOC(=O)c1ccc(NN=C[C@@H](C)CCC#N)cc1C 812228344 MGMBPQMUVODHOV-LBPRGKRZSA-N 287.363 3.509 30 20 CHED CCc1ccc([C@H]2CCCN(c3cc(C#N)ccn3)C2)cc1 579488651 RWXMEFWRQZFZIV-SFHVURJKSA-N 291.398 3.900 30 20 CHED C=CCN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)C 812824322 XJYWJDRNHFLKFU-CQSZACIVSA-N 287.325 3.635 30 20 CHED N#Cc1ccc(CN2CCCC[C@H]2c2ccccc2)nc1 578664793 YFUMCZIZBCBVFW-SFHVURJKSA-N 277.371 3.680 30 20 CHED C=C[C@H]1CCCCN1c1nc(CC)nc2sccc12 486484433 HJEZEACVCPUOIX-NSHDSACASA-N 273.405 3.799 30 20 CHED Cc1sccc1C=NNc1nc2cc(F)c(F)cc2[nH]1 814794689 JLJBCLNBKRAZQP-UHFFFAOYSA-N 292.314 3.657 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)cc1C 487878876 LRSMPEJHSYFGQC-UHFFFAOYSA-N 294.398 3.816 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)c1ccncc1 819291648 WWAAHFPROSQJPB-IMJJTQAJSA-N 272.392 3.641 30 20 CHED C=CCC1(C(=O)NCCCc2cccs2)CCCC1 576464240 RLVSWRCECBYVMM-UHFFFAOYSA-N 277.433 3.933 30 20 CHED CC[C@@H](OC(=O)c1ncc(C#N)cc1C)c1ccccc1 815339414 LZWYIYYDIRFANB-OAHLLOKOSA-N 280.327 3.570 30 20 CHED CCCCCCCCC(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 819263391 YRFSPVRAWKZJSB-ROUUACIJSA-N 293.451 3.907 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1ccc(OC(C)C)cc1 811662026 ZZGVMQRHVLGTFM-AWEZNQCLSA-N 292.448 3.541 30 20 CHED Cc1cccnc1CC(=NOC/C=C\Cl)C(F)(F)F 811671209 CDIMGQZJGIHLEI-OULJEYJISA-N 292.688 3.620 30 20 CHED Cc1cc(C)cc(/C=C2\Cc3ccc(C#N)cc3C2=O)c1 811692931 DDOYOQOUBHIXRT-CAOOACKPSA-N 273.335 3.998 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)c(C3CC3)c2)C1 578862385 XSEAZHWIABEQSZ-CMPLNLGQSA-N 287.338 3.517 30 20 CHED C(=NNC1CCCC1)c1ccccc1N1CCCCC1 727652723 WNANHOSKZPNIFK-UHFFFAOYSA-N 271.408 3.543 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3nccc(C)c3C#N)C2)cc1 486476586 FBLWHGOLHBFOPC-WBVHZDCISA-N 291.398 3.953 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc([C@](C)(C#N)CC)n1 575940894 QLNOQBJVGXWYMV-XUJVJEKNSA-N 261.369 3.945 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C(=O)O)s2)ccc1F 729150950 RBWOZHNTNZJTBG-HWKANZROSA-N 290.315 3.790 30 20 CHED COc1cccc(/C=C2\CCc3sccc3C2=O)c1 726890161 DQOCHDHIWQZMDE-FMIVXFBMSA-N 270.353 3.969 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(N=S(C)(C)=O)c1 822353957 NEWWGYMXHMKPOR-LBPRGKRZSA-N 294.420 3.587 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(C#N)c(F)c1 579424246 NMEFZMMQPRNAAG-GFCCVEGCSA-N 298.336 3.956 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 726560507 ZSQGUFSVRDPCOK-OAHLLOKOSA-N 297.402 3.959 30 20 CHED C=CCCCC[C@@H](C)NC[C@H]1CSCCS1 823979202 GUBLRBJMHMPGQZ-OLZOCXBDSA-N 259.484 3.560 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C(=O)O)c1ccc(F)c(C)c1 901841392 FICZOAYLBFCKQR-CZUORRHYSA-N 293.382 3.984 30 20 CHED C=C[C@H](CC)Cc1nc([C@H](OCC)c2ccccc2)no1 904064852 WPFDCWUOWXUBHC-CZUORRHYSA-N 286.375 3.950 30 20 CHED N#Cc1ccc(CNC[C@H](c2ccccc2)C2CC2)c(F)c1 581002955 LVAJCCXLFBHGDA-GOSISDBHSA-N 294.373 3.981 30 20 CHED CCn1cncc1/C=C/C(=O)c1ccc(OC(C)(C)C)cc1 901487836 DHUCBNDCFAGTLI-DHZHZOJOSA-N 298.386 3.976 30 20 CHED CCCc1nc(CNc2ccc(C#N)cc2C(C)=O)cs1 834672727 IWPOOXAKSXTZFC-UHFFFAOYSA-N 299.399 3.782 30 20 CHED C=CCCC[C@@H](NCc1cc(C(C)(C)C)oc1C)C(=O)O 900068405 HCEMCPORTISHBT-CQSZACIVSA-N 293.407 3.785 30 20 CHED Fc1ccccc1CNN=C1CCC(C(F)F)CC1 835012438 XQCBTADKJDEPQK-UHFFFAOYSA-N 270.298 3.727 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(F)nc2)c(C)s1 588523577 BLLBXYFKRBNQAL-HYXAFXHYSA-N 261.321 3.795 30 20 CHED CC(C)(C)[C@H]1CN(c2cc(C#N)ncn2)c2ccccc21 582943599 DEPISBDEKYKQRP-AWEZNQCLSA-N 278.359 3.630 30 20 CHED CCc1nc(C)c(C(C)=NNc2ncc(F)cc2F)s1 835023084 ZENKWAYSMPTXKD-UHFFFAOYSA-N 296.346 3.523 30 20 CHED CC[C@@H]1CCCC(=NNC(=S)Nc2ccccc2)C1 734977347 OMMOYOXHFOOSME-GFCCVEGCSA-N 275.421 3.929 30 20 CHED CC[C@H](N[C@H](C)c1c(C)noc1C)c1cccc(C#N)c1 902803110 FSKQGBPABZVOOF-BZNIZROVSA-N 283.375 3.965 30 20 CHED C/C=C\C(=O)Nc1ccccc1S[C@@H](C)CC#N 731333162 XKPXZMAAFFPFTN-UUSYTGMJSA-N 260.362 3.595 30 20 CHED CC(C)[C@@H](F)C(=O)Nc1cc2ccccc2cc1C#N 839435485 NEOZWISHQLQNBY-OAHLLOKOSA-N 270.307 3.644 30 20 CHED C=CCC[C@H](NCc1c(C)cc(C)nc1OC)C1CC1 676639092 FRDOTPWISWLFAI-INIZCTEOSA-N 274.408 3.541 30 20 CHED COc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1C 582280759 FGVXRMRIYXKIIV-INIZCTEOSA-N 272.392 3.518 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(OC3CCC3)cc2)C1 839052542 IVHBRHGQQJIQPE-CXAGYDPISA-N 299.370 3.857 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H]2C[C@]2(C)C(C)C)cc1 582087621 TVERVUMCHGBLME-SOLBZPMBSA-N 284.403 3.612 30 20 CHED CC/C(=C/C(=O)N[C@H](CC)CC#N)c1ccc(C)cc1 588459248 TXPPWPBNFBQHJZ-OBEJXRGXSA-N 270.376 3.597 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OCC)c(OCC)c1 679226939 SFHBLUIRURSBME-UHFFFAOYSA-N 292.379 3.524 30 20 CHED Cc1ccc2c(c1)C(=NNc1cc([N+](=O)[O-])ccc1C)CC2 730946563 CFHMNLQMIDJNJH-UHFFFAOYSA-N 295.342 3.974 30 20 CHED C/C=C\C(=O)Nc1cccc(C#Cc2cccs2)c1 912906497 DQVBPWKQOJHJHB-DJWKRKHSSA-N 267.353 3.663 30 20 CHED Cc1nc2ccccc2cc1OCC1(CC#N)CC1 596286212 GSMMEZOLKUZLEQ-UHFFFAOYSA-N 252.317 3.616 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)CC1(C#N)CCCCC1 597758515 BJBXOBPSFACTFQ-GOEBONIOSA-N 276.424 3.936 30 20 CHED C[C@H]1CC(NC(=O)CC2(C#N)CCCCC2)C[C@H](C)C1 597284008 YQSMACLEOIONBX-ZIAGYGMSSA-N 276.424 3.791 30 20 CHED C=CCOc1ccc(OC(=O)Cc2cccc(F)c2)cc1 742862218 VZAATWPGUUOUHR-UHFFFAOYSA-N 286.302 3.539 30 20 CHED Cc1ccncc1CNc1nc(C(C)(C)C)ccc1C#N 590721674 BZPZIVUJQBMUGJ-UHFFFAOYSA-N 280.375 3.566 30 20 CHED CCCCCCCCCCNC(=O)N1CCC[C@@H](CN)C1 841858214 NZBINRURIBFDSF-INIZCTEOSA-N 297.487 3.507 30 20 CHED C[C@]1(C(=O)OCc2cccc(C#N)c2)C[C@@H]1c1ccccc1 840601186 JIQMTDBFMCYHNM-MJGOQNOKSA-N 291.350 3.795 30 20 CHED N#CCC1(COc2cccc(OC(F)(F)F)c2)CC1 596270870 UAGAGUXBFHYPJS-UHFFFAOYSA-N 271.238 3.658 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1ccccc1F 745624317 JAXOYCFIFFYVAI-UHFFFAOYSA-N 286.310 3.645 30 20 CHED Cc1ccc([C@H](C)C(=O)O[C@H](C)c2ccc(C#N)cc2)o1 748680851 FFCRVVVLWIGXMK-QWHCGFSZSA-N 283.327 3.868 30 20 CHED C=C(C)COC(=O)/C=C\c1ccccc1OC(F)(F)F 914810652 WXFBBCITJWFIHG-FPLPWBNLSA-N 286.249 3.718 30 20 CHED CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915351794 GLPRDFUJQNZXCD-QGZVFWFLSA-N 293.370 3.874 30 20 CHED C=CCCSCCN[C@H]1CCCc2cc(C#N)ccc21 595059890 RBPDABURSWEGBH-KRWDZBQOSA-N 286.444 3.835 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)cc1C 915988464 XAZLQZIYEXVHIL-YFHOEESVSA-N 294.350 3.827 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)N2CCC(CCC#N)CC2)C1 591942064 GNNZGLOIDOZJFD-FOLVSLTJSA-N 291.439 3.536 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N[C@](C)(C#N)CC(C)C 599236959 PPRLJPVWBYWJPE-YJBOKZPZSA-N 286.419 3.618 30 20 CHED CC(=NNc1ccc(F)cn1)[C@H](C)c1ccccc1 746372494 PNHOZZOANHXCAY-NSHDSACASA-N 257.312 3.812 30 20 CHED N#Cc1cccc(C(=O)/C=C/C2=Cc3ccccc3OC2)c1 749357865 KZOAYSJBUIUNNU-CMDGGOBGSA-N 287.318 3.773 30 20 CHED C=CCN(CC(=O)Nc1c(C)cccc1C(C)C)C(C)C 917071035 MSNKMVWFTBTHHT-UHFFFAOYSA-N 288.435 3.953 30 20 CHED C[C@@H]1CC(OC(=O)c2ccc(C#N)cc2)C[C@@H](C)C1 744214447 KEGOYONLTMYAMI-RYUDHWBXSA-N 257.333 3.540 30 20 CHED Cc1ccc(N(C)Cc2ccc(C#N)cc2)cc1C 917072283 FIZCRZAQZIENQZ-UHFFFAOYSA-N 250.345 3.812 30 20 CHED CC(C)(C)[C@H](NC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 914121592 NZELIEUCTJPZLB-GOEBONIOSA-N 299.418 3.719 30 20 CHED COc1ccc(C=NNc2ccccc2F)cc1Cl 741459254 XPJCWZNIRBVSSF-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C=CCCCC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F 685895643 PBFWJXDRSOXIIZ-CQSZACIVSA-N 299.336 3.880 30 20 CHED CCCCN(C(=O)[C@H](C#N)CC)[C@@H](C)c1ccc(C)o1 593433620 HPWZTVUALYIELG-KBPBESRZSA-N 276.380 3.828 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CCC(C)(C)CC(C)(C)C1 598182611 BKAGJVDXOPVOKK-UHFFFAOYSA-N 299.418 3.550 30 20 CHED CC[C@@H](CON=C(C)c1cc2ccccc2o1)OC 842017970 VYVPIKZVTQGMMF-ZDUSSCGKSA-N 261.321 3.598 30 20 CHED C[C@H](CN[C@H](C)CC(C)(C)C#N)c1ccc(F)cc1 924966214 XOQWDQCCFVFXHY-CHWSQXEVSA-N 262.372 3.847 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)CCc1ccccc1 921219209 QISPYZWLITVNJB-GJZGRUSLSA-N 276.376 3.532 30 20 CHED C=CCN(C(=O)NCC1CCC(CC)CC1)C(C)C 921117846 BDERCEIVDYYEQC-UHFFFAOYSA-N 266.429 3.809 30 20 CHED C#CC[C@@H](Nc1ncnc2cccc(F)c12)c1ccccc1 756956336 BUEKNPDPKKEFEZ-OAHLLOKOSA-N 291.329 3.945 30 20 CHED CCC(CC)(OC)c1noc(-c2cc(C#N)ccc2C)n1 924078121 DYUUPQVUCMCRJH-UHFFFAOYSA-N 285.347 3.578 30 20 CHED CO[C@H](CN[C@@H](C)CC(C)(C)C#N)c1ccccc1Cl 925540175 AQFZGBKMOYFMDN-SWLSCSKDSA-N 294.826 3.945 30 20 CHED C=CCN(C(=O)c1cnn(C(C)C)c1C)c1ccccc1 854509289 LYZFPGIUDWLBEX-UHFFFAOYSA-N 283.375 3.605 30 20 CHED C=C[C@@H](C)NC(=S)Nc1ccc(CCCC)cc1 756794953 FQQWLMWTPBPGSP-GFCCVEGCSA-N 262.422 3.890 30 20 CHED C=C[C@](C)(CCOC)COC(=O)Cc1cc(C)cc(C)c1 853119569 XZYSVZBRDUPLEC-GOSISDBHSA-N 290.403 3.618 30 20 CHED CCCCCCCCCCNC(=O)Nc1ccn(C)n1 755802034 CLPQPMYNHKZDEQ-UHFFFAOYSA-N 280.416 3.682 30 20 CHED COC1(C(C)=NNc2ccc(C#N)c(Cl)c2)CCC1 853332261 HUTOFLUNBHHYAB-UHFFFAOYSA-N 277.755 3.569 30 20 CHED Cc1ccc(C#N)cc1-c1nc(C2CCCC2)no1 923805602 DUGSQEWICCKKAO-UHFFFAOYSA-N 253.305 3.574 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc3c(c2)CCN3C)o1 751533214 BSEGVUBLURQQET-VMPITWQZSA-N 281.355 3.730 30 20 CHED C=CCC1(NC(=O)Nc2ccc(Cl)nc2)CCCC1 853850688 LMZZUDBNFPZBCJ-UHFFFAOYSA-N 279.771 3.745 30 20 CHED Cc1cn2c(C=NN[C@H](C)c3ccccc3)c(C)nc2s1 920382694 LOIJPZVDZRYJMX-GFCCVEGCSA-N 298.415 3.697 30 20 CHED C#CC[C@@H](NCc1cc(C)ccc1F)c1ccccc1 756995336 GKVKFIVIGWAUPZ-GOSISDBHSA-N 267.347 3.988 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1nc2cc(C)ccc2s1 859689870 YFGAZAXWYKQWKY-HNNXBMFYSA-N 288.372 3.588 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1ccc(C#N)cc1F 753507829 HPKOELDTTQOFFF-UHFFFAOYSA-N 277.339 3.813 30 20 CHED CCCCCCCNC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 858113183 DCYKBTAUICDVNS-CABCVRRESA-N 296.455 3.556 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N(CCC#N)CC(C)(C)C)C1 753612443 XPJHKTPDCZWRTE-MBFWDRTGSA-N 262.397 3.521 30 20 CHED N#CC1(COC(=O)c2cccc(N3CCCC3)c2)CCCC1 850932799 MGNWICDXKAMGCG-UHFFFAOYSA-N 298.386 3.528 30 20 CHED C[C@H](Cc1ccccc1Cl)C(=O)OCCCCC#N 754299381 NIUGDPPEMRHUFD-GFCCVEGCSA-N 279.767 3.756 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1cccnc1Cl 856375003 MKMRCDIFOFZCDP-UHFFFAOYSA-N 280.799 3.529 30 20 CHED N#Cc1ccc(F)c(CNCc2cccc(Cl)c2F)c1 759820833 WAXDIAYXSXYBOF-UHFFFAOYSA-N 292.716 3.780 30 20 CHED N#C[C@@H]1CCCN([C@@H]2CCc3c(Cl)cccc32)C1 932153143 VYXHJYRVBSFKBV-XHDPSFHLSA-N 260.768 3.563 30 20 CHED CSCC1CCN([C@H](C)c2cccc(C#N)c2)CC1 932587006 FQVCWCJZPNIWKD-CYBMUJFWSA-N 274.433 3.694 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NNc1cccc(F)c1 755661772 JBMHGFWUAKBZAF-UHFFFAOYSA-N 288.370 3.840 30 20 CHED c1ccc(CON=C2CCC3(CCOCC3)CC2)cc1 751521845 RRKBQENIDIUJFU-UHFFFAOYSA-N 273.376 3.930 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccccc1)Cc1cc[nH]n1 931825008 XTOTXXJYPUICAN-OAHLLOKOSA-N 297.402 3.541 30 20 CHED CC(C)(CC(=O)OCCCCC#N)c1ccc(F)cc1 869860767 LCGHNEIALULHMP-UHFFFAOYSA-N 277.339 3.730 30 20 CHED C#CCN(C(=O)c1cccc(C(C)C)n1)C1CCCCC1 762120352 MFJNQZWVLNAEKW-UHFFFAOYSA-N 284.403 3.613 30 20 CHED C=C[C@H](CC)CC(=O)NC(C)(C)c1nc2ccccc2n1C 935437975 XPIDYMZVNKETJH-CYBMUJFWSA-N 299.418 3.527 30 20 CHED CC[C@@H](CC#N)Nc1ccc([N+](=O)[O-])cc1C(F)F 865678763 FQLXIWLHCRWHKZ-QMMMGPOBSA-N 269.251 3.637 30 20 CHED C[C@H](OC(=O)C(F)=C1CCCC1)c1ccc(C#N)cc1 764407873 HVSKXKQRGBYHRC-NSHDSACASA-N 273.307 3.960 30 20 CHED N#CCCCOC(=O)/C=C\c1ccccc1C(F)(F)F 869739287 GBNNQDYKAPNJQS-FPLPWBNLSA-N 283.249 3.566 30 20 CHED COc1ccsc1/C=C\C(=O)c1cc(F)cc(F)c1O 764442351 OXVWMBQLQRXJSF-IHWYPQMZSA-N 296.294 3.637 30 20 CHED C[C@@H](NC(=O)OC1CCCCC1)c1ccc(C#N)cc1 866482412 KJZCALNKXVIGJO-GFCCVEGCSA-N 272.348 3.678 30 20 CHED C#CCCc1noc(-c2ccnc(SC(C)(C)C)c2)n1 762020838 BNEWKSFBFFZUKO-UHFFFAOYSA-N 287.388 3.588 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1ccc(O)c(Cl)c1 768757646 PRECFIJISLOLSY-RJRFIUFISA-N 294.137 3.990 30 20 CHED C/C=C/C=C/C(=O)OCc1ccccc1C(C)(C)C#N 767977323 JVCVJUMCKOYKMY-LJIKRCSCSA-N 269.344 3.663 30 20 CHED FC(F)(F)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 761049346 HDTOWABAMGJEQX-LBPRGKRZSA-N 287.712 3.576 30 20 CHED C#CCOc1cccc(NC(=O)/C=C/C(=C\C)CC)c1 765453459 PHNMQOHPHDHQPI-RPBOXMDLSA-N 269.344 3.550 30 20 CHED Cc1cccc(F)c1NN=C1[C@H]2CCCO[C@@H]2C1(C)C 769842133 YUFAVGSUMYQZLN-ABAIWWIYSA-N 276.355 3.737 30 20 CHED C=C[C@H](CCC(=O)O)NCc1cccc(CC2CCC2)c1 864512703 LZMFDOORYAPVJI-QGZVFWFLSA-N 287.403 3.538 30 20 CHED CCC1(CC)C(=NNc2cnnc3ccccc23)C[C@@H]1OC 762603475 KNXYTDARZYHWGJ-INIZCTEOSA-N 298.390 3.623 30 20 CHED CC(C)[C@@H]1CCCCC1=NNc1nc(O)c2ccccc2n1 764696669 PYJDTIRFQYIDFT-LBPRGKRZSA-N 298.390 3.950 30 20 CHED COc1ccccc1C(C)=NNc1c(C)cccc1F 769839740 GEMZEZVNXWLBMT-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(Oc2ccccc2)cc1 767229303 ISDINVLYTZBTIA-CQSZACIVSA-N 279.339 3.573 30 20 CHED C#Cc1cccc(NC(=O)CO[C@@H]2CCCC[C@H]2CC)c1 766340379 UXFSGYRHITYEEM-NVXWUHKLSA-N 285.387 3.592 30 20 CHED CCc1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1CC 1118771906 UBDRJIFREKOCAQ-CQSZACIVSA-N 284.403 3.577 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 1117823797 PITSNZFXZVSXHP-UHFFFAOYSA-N 285.343 3.642 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(C#N)s1 777907170 UIZSKWLXMXHDTR-UHFFFAOYSA-N 276.752 3.504 30 20 CHED COc1cc(/C=C2\CCc3c(O)cccc3C2=O)ccc1C 773138801 GRMOEYDQEVOLDU-GXDHUFHOSA-N 294.350 3.922 30 20 CHED C=C(Cl)CN[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 877149351 MBHSSQMAZUDOKF-NVXWUHKLSA-N 290.838 3.697 30 20 CHED Cc1cccc(OC(=O)Cc2ccccc2CC#N)c1C 776743444 XDBXAQVAJMBJIJ-UHFFFAOYSA-N 279.339 3.518 30 20 CHED N#Cc1ccc(/C=C2/CCOc3ccccc3C2=O)c(F)c1 772806600 MFXMUKIMYGGMGB-UVTDQMKNSA-N 293.297 3.746 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1cncs1 1116742000 BAJOLPRUQKHNIA-ALCCZGGFSA-N 255.342 3.528 30 20 CHED Fc1c(Cl)cccc1C=NNc1ccc2[nH]ncc2c1 779820438 IUGWUPVORBYZBS-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C[C@H](OC(=O)[C@H]1CCc2c(Cl)cccc21)C(C)(C)C#N 776099407 PVOMNSSSVRPUSS-GWCFXTLKSA-N 291.778 3.851 30 20 CHED CCOC(=O)Nc1ccc(NCC(CC)CC)cc1C#N 779598425 ABXRGDWBGVLIKX-UHFFFAOYSA-N 289.379 3.975 30 20 CHED CC(=NNCC(C)C)c1ccc(-c2ccncc2)cc1 771566703 IHTFAKCWILEJMZ-UHFFFAOYSA-N 267.376 3.718 30 20 CHED CCCCCCCCCC(=O)Nc1cccc(C(N)=O)c1 885030465 RBAGYFCVDLANJQ-UHFFFAOYSA-N 290.407 3.865 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1ccccc1F 777912193 SLQQSXWQGGJYPN-SOFGYWHQSA-N 289.237 3.769 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nc2ccccc2s1 770005069 RTOGWFLJCHHIRE-SDDRHHMPSA-N 271.389 3.639 30 20 CHED CCN1CCC(=NNc2nc3ccccc3cc2C)[C@H](C)C1 776782264 HFHPECOCCAPTMB-CQSZACIVSA-N 296.418 3.673 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2ccc(C)cc2C)c1 774117600 YBWLTDQWEYTCGK-FNORWQNLSA-N 284.311 3.579 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C 788037880 DKQNUSATWSUYOG-ZBFHGGJFSA-N 286.419 3.745 30 20 CHED O=C(NO)c1ccc(Sc2ccc(Cl)cc2)cc1 782169164 GXZXKJYKHPFBQG-UHFFFAOYSA-N 279.748 3.610 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C)c(Cl)c2)n(C)n1 789159291 KMKUIAZDSQZCSA-VOTSOKGWSA-N 274.751 3.586 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1cccnc1Cl 1120813269 BATMIKXWJAHRSJ-AWEZNQCLSA-N 292.810 3.625 30 20 CHED Cc1ccccc1[C@H](C)C(=O)OCc1ccc(CC#N)cc1 1127470787 KPRQTJLZPMWUCI-HNNXBMFYSA-N 293.366 3.908 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Cl)c(OC)c1 788831803 AMJCGYPSCUOHGB-UHFFFAOYSA-N 279.767 3.871 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccnc2ccccc12 782287169 KNCMLBFLUROKNJ-INIZCTEOSA-N 267.376 3.737 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc(NCC(C)(C)C)c1C 781191630 FEAGVWYXIDERJV-CYBMUJFWSA-N 288.391 3.912 30 20 CHED Cc1ncc(C[S@@](=O)CCCCC2(C#N)CCC2)s1 899392126 PRHHASMHEGAILY-IBGZPJMESA-N 296.461 3.564 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1cccc(Cl)c1 783421891 IZRFSECPQLNRQY-UHFFFAOYSA-N 279.767 3.756 30 20 CHED CC(C)(C#N)CCCOC(=O)CCc1cccs1 782075693 WFDJAHPGVOZFPY-UHFFFAOYSA-N 265.378 3.554 30 20 CHED CC(C)c1cnc(Sc2cc(C#N)sc2[N+](=O)[O-])[nH]1 894735302 BQRVYCKIJDHBNR-UHFFFAOYSA-N 294.361 3.526 30 20 CHED C#CCN(C)C(=O)c1ccc(C)cc1Sc1ccccc1 790968306 ZNNCCOSCRASCBM-UHFFFAOYSA-N 295.407 3.851 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1C[C@@H](C)N(C2CC2)C1 793530859 GIZAQXPSPRLCOQ-XHSDSOJGSA-N 264.457 3.726 30 20 CHED C#CCC1(OC(=O)c2cnc(-c3ccccc3)s2)CCC1 798201954 DBTORXLPACZQMT-UHFFFAOYSA-N 297.379 3.913 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)c1nnc2ccccn12 793515020 HRBSPCPCIMPFQX-CABCVRRESA-N 286.423 3.905 30 20 CHED CSCCON=C1CCCC[C@H]1N1CCCCCC1 794575164 XQJNRKKSNLKXPA-OAHLLOKOSA-N 284.469 3.541 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(F)c3ccccc23)C1 1139891665 DZOZCYJGJVATTO-CYBMUJFWSA-N 268.335 3.714 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc(F)cc1F 796144449 NWIMXHIXPJHLQI-CYBMUJFWSA-N 291.253 3.738 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 793542573 ROOIGCMMRFOGLX-BBWFWOEESA-N 294.483 3.748 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(C)C 799047236 SXESXCGNOJPIEQ-FZMZJTMJSA-N 297.320 3.583 30 20 CHED COc1cc(/C=C2/COc3cc(F)ccc3C2=O)ccc1C 794726661 DEZSFGDWGYPUTN-QPEQYQDCSA-N 298.313 3.801 30 20 CHED Cc1cc(CN2CCCC(C)(C)[C@@H]2C#N)cc(Cl)n1 797605782 UZFAHARQVDFFHF-ZDUSSCGKSA-N 277.799 3.558 30 20 CHED CC[C@H](C)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 790187335 FUTUCSQPWNZIQW-NSHDSACASA-N 287.319 3.577 30 20 CHED COc1ccc(Cl)cc1C(C)=NNc1ncccc1C 790191520 VVGSLIGDCVKVEN-UHFFFAOYSA-N 289.766 3.888 30 20 CHED N#Cc1ccc(F)c(CSc2ccccc2O)c1 50046912 JFHVEGBYLNBAKK-UHFFFAOYSA-N 259.305 3.695 30 20 CHED C[C@@H](Nc1cncc(C#N)n1)c1ccc(F)c2ccccc12 1163428008 PTSRRCUKBASNNA-LLVKDONJSA-N 292.317 3.814 30 20 CHED Cc1ccc(C#N)c(NCC[C@@H]2CCc3ccccc32)n1 1186602588 PUWNWBKGEOEHMT-HNNXBMFYSA-N 277.371 3.794 30 20 CHED N#Cc1cc(NCc2cc(F)c(F)c(F)c2)ccc1F 62708778 NSJWQCOSFYJQAE-UHFFFAOYSA-N 280.224 3.727 30 20 CHED Cc1cc([C@H](C)NC(=O)c2ccc(C)c(C#N)c2)c(C)o1 1322616928 PZJKGBAMQDPVFV-LBPRGKRZSA-N 282.343 3.568 30 20 CHED N#CC1(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 1254565376 MQUCAXICABWJJS-CYBMUJFWSA-N 294.320 3.798 30 20 CHED CCCCCCCCNCc1c(Cl)nc(OC)n1C 1251725127 SAIVNCNFZWEDGO-UHFFFAOYSA-N 287.835 3.532 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc2c(c1)CCC2 1252256945 YIEXUTBQIWSTGV-UHFFFAOYSA-N 281.315 3.530 30 20 CHED C=CC(C)(C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 1331836720 KIQWRIPCOJHLFH-UHFFFAOYSA-N 290.363 3.548 30 20 CHED C=CC[C@H]1CCCN(Cc2sc(C)nc2C)C1 661379769 IFUGPXQARYHCCU-ZDUSSCGKSA-N 250.411 3.548 30 20 CHED CC(C)c1cccc(C(=O)N(CCC#N)C(C)C)c1 597040851 AMEMETSJGRNVCV-UHFFFAOYSA-N 258.365 3.574 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(CN2CCCC2)c1 1331297909 QYVGZAASZIZQFD-UHFFFAOYSA-N 299.418 3.551 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc2c(o1)CCCC2 1337085589 NYVXFKKSFTWZTR-UHFFFAOYSA-N 288.391 3.560 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc(Cl)ccc1OCC 1338114340 YZBCIRAQEFFGKT-YPMHNXCESA-N 283.799 3.590 30 20 CHED C[C@@H](Nc1ncc(Cl)cc1F)c1ccc(C#N)cc1 94052117 FRZAANYJJQWELT-SECBINFHSA-N 275.714 3.919 30 20 CHED CCn1cc(/C=C\C(=O)c2ccccc2SC)c(C)n1 1333840415 GSGHOZUMWWPHMC-KTKRTIGZSA-N 286.400 3.829 30 20 CHED Cc1ccc2occ(CC(=O)O[C@H]3CC[C@@H](C#N)C3)c2c1 1342719275 UCCNDXJCJAHXOV-OCCSQVGLSA-N 283.327 3.519 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2cccc(F)n2)ccc1Cl 1342638240 UETAXMMTSSTNAP-NSHDSACASA-N 288.709 3.673 30 20 CHED N#C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)s2)C1 1352125200 NHKLITOAKMNZPB-CYBMUJFWSA-N 296.395 3.791 30 20 CHED CCc1ccc([C@H](C)C(=O)[C@H](C#N)c2cccc(F)n2)cc1 1524703889 HDKVMFAHGHPOEV-SWLSCSKDSA-N 296.345 3.763 30 20 CHED Cc1c(NC(=O)c2cccc(CC#N)c2)ccc(F)c1F 1528734584 MUHUIRAOWUBZOK-UHFFFAOYSA-N 286.281 3.592 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(C#N)cc1C(C)=O)C(C)C 1525884655 WQXDJRCIFKBHCJ-CQSZACIVSA-N 286.375 3.772 30 20 CHED COc1cc(CN2CC[C@@H]2c2ccc(F)cc2)ccc1C#N 1462637857 XKWNADNERZYWDM-QGZVFWFLSA-N 296.345 3.653 30 20 CHED Cc1ccnc(NN=C2CCC[C@@H](CCCC(=O)O)C2)c1 1600600826 UTDNNUXQCCVDPN-ZDUSSCGKSA-N 289.379 3.603 30 20 CHED CCc1ccc(CC)c(NC(=O)c2csc(C#N)c2)c1 1532971869 DXNHKDKTLBFJFU-UHFFFAOYSA-N 284.384 3.997 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cc(C(=O)O)co2)cc1C 1600159605 AYYHZIXIPVDMNJ-SNAWJCMRSA-N 284.311 3.799 30 20 CHED N#Cc1ccc(SCc2ccc3nonc3c2)c(F)c1 1472993211 TVPBKRDZGZXMSA-UHFFFAOYSA-N 285.303 3.526 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2c3ccccc3CC[C@@H]2C)n1 1612186672 QDLAXPYWOOBFNW-SGTLLEGYSA-N 292.386 3.646 30 20 CHED N#Cc1ccc(CCOc2c(F)cccc2Cl)cc1 1473006776 AVSZHIHVQILDCP-UHFFFAOYSA-N 275.710 3.972 30 20 CHED Cc1occc1CNc1c(Br)cccc1C#N 1559088224 RLMKDBFAOYDQEH-UHFFFAOYSA-N 291.148 3.834 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(Nc2ccccc2)c1 1628293230 WWDCPHGQXYBZHD-CYBMUJFWSA-N 279.343 3.918 30 20 CHED CC[C@H](Cc1ccc(F)cc1)Nc1cc(C)c(C#N)cn1 1559233952 NEWZZRCSTNLMJO-MRXNPFEDSA-N 283.350 3.834 30 20 CHED Cc1nsc(NC[C@@H]2CCC[C@H](C)[C@@H]2C)c1C#N 1642641722 XLOKIDFNJVTTMA-NHCYSSNCSA-N 263.410 3.807 30 20 CHED N#Cc1cccnc1N(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 1642120256 UHXLOEYVZAHCKI-SOUVJXGZSA-N 281.403 3.748 30 20 CHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1OC(F)F 1645049204 ZWIFCJYZIYUTBA-CKYFFXLPSA-N 298.308 3.770 30 20 CHED CC(C)(CC1CCCCCC1)Nc1cc(C#N)cnn1 1642579700 XONPQUXWMZCIJC-UHFFFAOYSA-N 272.396 3.899 30 20 CHED CC(C)CCN(CCC#N)CCO[C@H]1CCCC[C@H]1C 1641932628 AWAYGCRMMCIOEQ-SJORKVTESA-N 280.456 3.843 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1Nc1nc(Cl)c(C#N)s1 1642898724 QSKDOXPIADGIPA-JGVFFNPUSA-N 269.801 3.905 30 20 CHED N#Cc1cnc(Sc2c(F)cc(F)cc2F)c(F)c1 1655007906 QOQNJELXOHDFTL-UHFFFAOYSA-N 284.237 3.661 30 20 CHED CCc1cccc(N(C)C(=O)Nc2ccc(CC#N)cc2)c1 1665115977 PWLNFVBCTJKJBQ-UHFFFAOYSA-N 293.370 3.983 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(F)c(C#N)c1 1668160850 PVAJWIJGSYHGGV-BDJLRTHQSA-N 289.354 3.788 30 20 CHED C[C@H](NC(=O)Nc1cc(C#N)ccc1F)c1cccs1 1672122012 OQQPSLHSBUWYJG-VIFPVBQESA-N 289.335 3.642 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(/C=C/C(=O)O)o1 1777465357 XNXAOIYQCOXKNP-PNQPDEHRSA-N 282.295 3.582 30 20 CHED O=C(/C=C\c1csc(C(=O)O)c1)c1ccc(Cl)cc1 1776115380 WZZZTMILVMZEKF-BHQIHCQQSA-N 292.743 3.996 30 20 CHED Cc1c(Cl)cccc1C=NNc1ccc(C(=O)O)cc1 1776012217 JMWCATKAJRSPGG-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C=CCN(CC=C)C(=S)Nc1ccc(F)c(Cl)c1 13824146 GCIGKOGNMWXBRW-UHFFFAOYSA-N 284.787 3.850 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 161629257 FWUKMWVIYLIQPI-AEFFLSMTSA-N 284.403 3.731 30 20 CHED CC(C)OC(=O)O[C@@H](C)Sc1cccc(C#N)c1 158827767 PJTHRJCWVBVFMA-SNVBAGLBSA-N 265.334 3.558 30 20 CHED N#Cc1cc(NC[C@H]2CCC[C@H](O)C2)ccc1C(F)(F)F 166866601 PDSQSSKFCOSJQS-GWCFXTLKSA-N 298.308 3.540 30 20 CHED C=CCCOCCNC(=O)C[C@H](c1ccccc1)C(C)C 155136790 UJLWYMPVBURERM-KRWDZBQOSA-N 289.419 3.525 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H](c2ccccc2)CC1 156231355 PMQOHOZQHAQLPM-INIZCTEOSA-N 272.392 3.542 30 20 CHED C=C(C)CNC(=O)Nc1ccc(N2CCC(C)CC2)cc1 156260575 OHNAKNDERSYTPV-UHFFFAOYSA-N 287.407 3.621 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)c2ccc(F)cc2F)c1 5293519 TYMIFTAPZSJNEK-XTTRTJGBSA-N 291.297 3.859 30 20 CHED CC1(C)C[C@@H](Nc2ccc(Cl)cc2C#N)CCO1 157969645 WTPXNUGSKHFAIM-LBPRGKRZSA-N 264.756 3.581 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@]2(CCOC2)C1 154779487 AFOIDQUIJIUQSC-QGZVFWFLSA-N 281.440 3.766 30 20 CHED C=C(CNCc1ccc(F)c(F)c1)c1ccccc1 110057709 PBEGBIZMWPIELM-UHFFFAOYSA-N 259.299 3.768 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCCS1 126023260 CXWCJUHVZZRZGC-LLVKDONJSA-N 286.322 3.885 30 20 CHED Cc1cc(F)ccc1CCNc1nccc(C#N)c1Cl 235747963 ZOJORKIBSVKDHK-UHFFFAOYSA-N 289.741 3.709 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 27353947 UFSUSXGAEFDEGG-UHFFFAOYSA-N 291.354 3.778 30 20 CHED N#Cc1ccc(Oc2nc(C3CC3)ns2)c(Cl)c1 92583664 ZSCZRINHQZEANP-UHFFFAOYSA-N 277.736 3.733 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C#N)cc1F 45796832 PZFGBHURQQTSDT-UHFFFAOYSA-N 280.346 3.886 30 20 CHED CC[C@H](CC(C)C)C(=O)N(C)c1cccc(C#N)c1 308091659 SHCFQJMNEXXZQY-CQSZACIVSA-N 258.365 3.593 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N1CCC(CCC#N)CC1 402751444 VXKJNTZLJLZZET-GFCCVEGCSA-N 290.329 3.507 30 20 CHED CC(=O)c1ccc(C#N)cc1N1CCCCC(C)(C)C1 445676511 QOGWIKLYODKXSS-UHFFFAOYSA-N 270.376 3.777 30 20 CHED N#CCc1ccc(C[S@](=O)CC2CCCCC2)cc1 342117291 DHXCYUGCFAWAAC-LJQANCHMSA-N 275.417 3.582 30 20 CHED C=CCC1(NCc2cccc(COC)c2)CCCC1 657703122 UKARJVDZESGKJY-UHFFFAOYSA-N 259.393 3.812 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 496434837 WIPVSFGWOAGYLN-KGLIPLIRSA-N 296.455 3.576 30 20 CHED CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(OCC#N)cc1 388693793 LPLYLRPTRYPJPO-JJRVBVJISA-N 272.392 3.818 30 20 CHED CC(C)c1ccc(NC(=O)COc2cccc(C#N)c2)cc1 6599009 DIMXUNKERVRJKJ-UHFFFAOYSA-N 294.354 3.699 30 20 CHED N#Cc1cccc(NCc2ccc(Br)s2)c1 19922373 HFAIONHQCXJJHP-UHFFFAOYSA-N 293.189 3.994 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)cc2F)cc1 21841450 HYXQCYUBOJMHAU-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#Cc1ccc(F)c(CN2CCC[C@@H]2Cc2ccccc2)c1 25359632 GKCDRWQHXCAZMO-GOSISDBHSA-N 294.373 3.904 30 20 CHED N#Cc1ccccc1OCc1cc(-c2ccccc2)no1 29360583 PESAJFAXTXLPNE-UHFFFAOYSA-N 276.295 3.792 30 20 CHED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1cccnc1 33472170 WEHUNIKMORMCQN-SREVYHEPSA-N 277.245 3.997 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1cccnc1 34133985 KAXQTHWJCHIZSB-HJWRWDBZSA-N 262.312 3.767 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCc2c(O)cccc21 36852840 OMUHFGIZYZUIOR-OAHLLOKOSA-N 268.291 3.502 30 20 CHED CC(C)CN(CCOc1cccc(C#N)c1)CC(C)C 41654513 IUNBYTAFQBLYTP-UHFFFAOYSA-N 274.408 3.551 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1cccc(C#N)c1 43330106 PHBOCDGQZYBTSO-UHFFFAOYSA-N 297.383 3.840 30 20 CHED CCCCCN(C(=O)Nc1cccc(C#N)c1)C(C)C 48909007 XFHLUIDBSVEVKV-UHFFFAOYSA-N 273.380 3.991 30 20 CHED N#Cc1ccc(CSCc2ccc([N+](=O)[O-])cc2)cc1 58238667 QHJOUUARSGWFON-UHFFFAOYSA-N 284.340 3.900 30 20 CHED N#Cc1ccsc1NC(=O)CSCC1CCCCC1 58487979 XRWISKASXOBZCO-UHFFFAOYSA-N 294.445 3.872 30 20 CHED C=CCN(CC=C)CC(=O)Nc1cccc(Cl)c1Cl 66215724 CFXBYOWILSLYSL-UHFFFAOYSA-N 299.201 3.606 30 20 CHED N#Cc1ccc(N2CCC[C@@H](c3ccccc3)CC2)nc1 66818516 CXYXUWNKVPOOMB-QGZVFWFLSA-N 277.371 3.727 30 20 CHED CCN(CC)c1ccc(CNc2ccc(C#N)cn2)cc1F 66859948 CAEFZCAOEAAJHY-UHFFFAOYSA-N 298.365 3.551 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC1 66907406 IBJAQRRWPCENEZ-LBPRGKRZSA-N 289.404 3.709 30 20 CHED CCc1c(C)sc(NC(=O)[C@H]2CC=CCC2)c1C#N 68677982 ALAQANDPKXGBFR-NSHDSACASA-N 274.389 3.785 30 20 CHED CC(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 69086643 QYRMPOAMRHMKPZ-UHFFFAOYSA-N 276.405 3.873 30 20 CHED C[C@@H](NC(=O)N1CCCC(C)(C)CC1)c1cccc(C#N)c1 74918216 PTUAAKAVIQWRSI-CQSZACIVSA-N 299.418 3.841 30 20 CHED CC(C)=CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 76153837 VPNUVAIZFARBKV-IRXDYDNUSA-N 254.377 3.724 30 20 CHED N#Cc1ccc(OC(=O)c2cccc(F)c2Cl)cc1 76808885 LUHCTDMONDXSSH-UHFFFAOYSA-N 275.666 3.570 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2F)cc1F 78435320 GIAFVAGJWDBRQL-SOFGYWHQSA-N 274.266 3.870 30 20 CHED C=CCOc1ccc(OC(=O)CC[C@H]2CCCCO2)cc1 81324121 QSSQWIOZHNLJSR-CQSZACIVSA-N 290.359 3.506 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2ccco2)cc1OC 83201400 MTQMJBCBFYOMQY-SOFGYWHQSA-N 286.327 3.973 30 20 CHED Cc1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1 83326933 DRCRDWBYOPGQSJ-JYRVWZFOSA-N 268.287 3.793 30 20 CHED Cc1cc(C#N)ccc1OCc1nc(C)c(C)s1 88520060 LANSJGUXRWMQIJ-UHFFFAOYSA-N 258.346 3.519 30 20 CHED C[C@@H](Nc1ncccc1Cl)c1cccc(C#N)c1 88726562 ZFUVLSINYPQSQW-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CC(C)N(C(=O)c1ccc(CC#N)cc1)C1CCCCC1 89623381 GZIYQVZIIWQALD-UHFFFAOYSA-N 284.403 3.936 30 20 CHED Cc1cc(NC(=O)c2cccc(C#N)c2)c2ncccc2c1 91791940 AHWLHTPJSPJLFB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CCN(CC#N)Cc1ccc(SC(F)(F)F)cc1 92399031 BKKYMGGXIUYEOP-UHFFFAOYSA-N 274.311 3.644 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)n(C3CC3)c2C)c1 103102620 KGUBWMDLMNBVBW-UHFFFAOYSA-N 292.382 3.698 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C)cc2C)CC1 111700130 ISHJUTOMAIIQGK-UHFFFAOYSA-N 258.365 3.733 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(SC)cc2)cn1 111998558 UCAWTRIASYESNL-RUDMXATFSA-N 272.373 3.521 30 20 CHED CCSc1ccc([C@H](C)NC[C@H](C#N)CCC#N)cc1 112543453 GYYPONFHVVVXLW-KBPBESRZSA-N 287.432 3.893 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1cccc(OC(F)F)c1 116941787 FBBOYYIAINRSMC-GHMZBOCLSA-N 298.333 3.613 30 20 CHED C#CCCCCC(=O)Oc1ccccc1SCC 120391887 SXXYNKCCJVZQFT-UHFFFAOYSA-N 262.374 3.898 30 20 CHED CCCc1nnc(S[C@H](C#N)Cc2ccc(C)cc2)o1 121878696 YIZXZVPYHHLRLW-ZDUSSCGKSA-N 287.388 3.558 30 20 CHED C=CCOc1ccc(CN2CCC(C#N)CC2)cc1Cl 123665835 UMVQOJNUXGTZJW-UHFFFAOYSA-N 290.794 3.640 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H](C)C1(C)CC1)c1ccccc1 123729740 TZLCAMMNIARNSU-HUUCEWRRSA-N 271.404 3.993 30 20 CHED C=C[C@@H](C)NC(=O)NC(c1cccs1)c1cccs1 128441568 SLNSADWHVRSXBA-SNVBAGLBSA-N 292.429 3.773 30 20 CHED CCc1ccc(CN(Cc2ccc(C#N)o2)C2CC2)cc1 130198714 WEEVXEURLBGUTI-UHFFFAOYSA-N 280.371 3.878 30 20 CHED C=C(Br)CNC[C@@H](C)CCc1ccccc1 133133158 MIPWIFRMTRQGOA-LBPRGKRZSA-N 282.225 3.754 30 20 CHED CS[C@H]1CCCCN([C@@H](C)c2ccc(C#N)cc2)C1 134549807 WQKMNVKWBGKVNX-BBRMVZONSA-N 274.433 3.837 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1O 134928891 BTQUZMHPZCWUIJ-SFYZADRCSA-N 260.164 3.924 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(C)ccn1)c1ccccc1 154452850 DCVIKFYVZRLVBV-AWEZNQCLSA-N 266.344 3.688 30 20 CHED C#CCCCCNC(=O)N(Cc1ccccc1)[C@@H](C)CC 154998728 PBSLIYSEOPFRPC-INIZCTEOSA-N 286.419 3.800 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc2c3c(cccc13)CC2 157010752 SGEVBLRKKWSTMH-AWEZNQCLSA-N 293.370 3.752 30 20 CHED CCSCC[C@@H](C)Nc1cccc(F)c1C#N 158660435 ISPCTPOBTZGEND-SNVBAGLBSA-N 252.358 3.641 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H](C)c1cccs1 158879136 RCDAJKBMPJQTJW-CYBMUJFWSA-N 278.421 3.640 30 20 CHED COc1ccc(OCCSCCCCC#N)cc1 161027846 JTYYRYDRBGQNRJ-UHFFFAOYSA-N 265.378 3.501 30 20 CHED C=C(Br)CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 168228250 AMULZLPJQZEBMM-NQBHXWOUSA-N 272.230 3.699 30 20 CHED CCN(C[C@H](C)C#N)C(=O)/C=C(\C)c1ccccc1Cl 171381956 ZMMAKHFNXRHARP-AUWXEVLLSA-N 290.794 3.751 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C1CCCC1 173042632 AHHAGLMFSZJZNG-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cccc(Cl)n1 173581828 KGQZZSLJMONBBO-UHFFFAOYSA-N 297.789 3.795 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 175870909 ARPCHQXLPKDDLR-HZPDHXFCSA-N 274.433 3.712 30 20 CHED CCOc1cccc([C@H](C)NCc2ccc(C#N)s2)c1 176958410 ZYNIACPWVQIANW-LBPRGKRZSA-N 286.400 3.869 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1cc(C#N)cs1 177383321 WUTDKQDWQABHOP-UHFFFAOYSA-N 278.421 3.907 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CCCCC#N)C1(CC)CC 177404786 PIVGGGXDDPOBTM-HUUCEWRRSA-N 266.429 3.596 30 20 CHED C=CCCC(=O)NC(C)(C)c1ccccc1Br 179002730 QLSRCGHJKGZCDF-UHFFFAOYSA-N 296.208 3.767 30 20 CHED C=C(C)CN(C)C(=O)C[C@H](c1ccccc1)C(F)(F)F 180385112 WOGMBAAPGFIGBF-CYBMUJFWSA-N 285.309 3.757 30 20 CHED N#CCCCN[C@H](c1cccc(F)c1)C1CCCC1 181020534 WNSXHOIFVAUVPR-INIZCTEOSA-N 260.356 3.950 30 20 CHED C=C(C)CN(C)Cc1c(C)cc(C)c(C(C)=O)c1C 181329809 QNOYGLSOQJDRMV-UHFFFAOYSA-N 259.393 3.822 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccncc1 181417172 SNRUVPHOHSDWJQ-KGLIPLIRSA-N 275.396 3.529 30 20 CHED CC[C@@H](CC#N)NC(=O)C1(c2cccs2)CCCCC1 183795624 ZOZUMCMZUFQEGB-ZDUSSCGKSA-N 290.432 3.758 30 20 CHED C#CCCOc1ccc(CNc2ccc(CC#N)cc2)cc1 185150554 VXHOOAJPIMOPCG-UHFFFAOYSA-N 290.366 3.767 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)c(OC)c1 187529815 VKRUZULSFGXVPM-UHFFFAOYSA-N 288.391 3.548 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1noc(-c2ccccc2)n1 187662752 LGORXTYSGQEHGE-LBPRGKRZSA-N 286.331 3.697 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(Cl)c1 187745026 OGWXJKNYESZVNL-AWEZNQCLSA-N 267.756 3.507 30 20 CHED C=CCn1c(C)nnc1SCc1ccc(Cl)cc1F 187750635 CPJBBLFSDYNLLE-UHFFFAOYSA-N 297.786 3.857 30 20 CHED C#CCCCCC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 187777358 GRNVJLUOSQGEPG-MSOLQXFVSA-N 283.415 3.708 30 20 CHED COc1ccc(-n2ccnc2S[C@@H](C)CCC#N)cc1 188260696 LKWJYNNXIXQUST-LBPRGKRZSA-N 287.388 3.665 30 20 CHED C=CCCC(=O)NCc1ccc(C(F)(F)F)cc1C 189854883 NNLCAEGALIMZIK-UHFFFAOYSA-N 271.282 3.596 30 20 CHED N#CCCC[S@](=O)Cc1ccc(-c2ccccc2)cc1 190756035 YAJRHULATCIBLJ-FQEVSTJZSA-N 283.396 3.906 30 20 CHED CCc1nc([C@H](C)NCc2ccc(C#N)c(F)c2)cs1 192182689 FVDHJLOTRXVKHS-JTQLQIEISA-N 289.379 3.567 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1cccc(Cl)c1 192766790 HDANYNPZXJDODK-VOTSOKGWSA-N 261.708 3.841 30 20 CHED CCC(=O)Nc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 193110884 NVHDSVBUNRDYRL-DOMZBBRYSA-N 271.364 3.529 30 20 CHED CC/C=C(\C)C(=O)Nc1sc2c(c1C#N)CCCC2 193545047 JLOXHXUHPIKLRU-UXBLZVDNSA-N 274.389 3.793 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1 193997240 RNGYFLPXSOMIIZ-DZGCQCFKSA-N 285.391 3.700 30 20 CHED Cc1c(C(=O)NCC#Cc2ccccc2)oc2ccccc12 198759016 OIMOCXUKQWAPGN-UHFFFAOYSA-N 289.334 3.523 30 20 CHED COCCOc1ccc(C(=O)/C=C\c2cccs2)cc1 206988742 ZTENDSRHPFXYJI-HJWRWDBZSA-N 288.368 3.669 30 20 CHED N#CCCSc1ccccc1NC(=O)/C=C\c1ccco1 209929060 GYIOYTKZNXQFFI-HJWRWDBZSA-N 298.367 3.937 30 20 CHED COc1cc(CNc2ccccc2SC)ccc1C#N 232274239 DMBAXACTUFCODH-UHFFFAOYSA-N 284.384 3.901 30 20 CHED COc1ccc(CCC(C)=NOCCCSC)cc1 255106095 VEMVNOVOHISKIU-UHFFFAOYSA-N 281.421 3.773 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccnc2Cl)o1 255296505 AMHCAQUJYSZHSC-ALCCZGGFSA-N 261.708 3.787 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)CCOc2ccccc21 255310190 SCMGVPSCCQOTCH-QINSGFPZSA-N 292.334 3.670 30 20 CHED COc1ccc(O)c(C=Nc2ccccc2SC)c1 255427187 IGBJYYKOBKKRDK-UHFFFAOYSA-N 273.357 3.873 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc([C@@H](C)C(=O)O)cc1 263176889 GUMHRIDJJVSSSO-GFCCVEGCSA-N 287.359 3.582 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCc1cscn1 264817322 UHXCWHPOQBRDOZ-UHFFFAOYSA-N 292.448 3.671 30 20 CHED C#CCCOc1ccc(CNCc2sccc2C)cc1 264982307 UZOCPJXTAFRPIX-UHFFFAOYSA-N 285.412 3.748 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCc2cc(F)ccc21 268145967 DHLMKKRJAZGZQK-INIZCTEOSA-N 273.351 3.698 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](CC)c1ccccc1)OCC 270050471 QZTAOQXFCOBUFS-HOTGVXAUSA-N 275.392 3.625 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1ccccc1 272480369 RPCXWVKIYCLIDK-HNNXBMFYSA-N 298.386 3.781 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC(C)(C)C#N 278379430 QKWCNCQELYZXSG-AWEZNQCLSA-N 292.810 3.717 30 20 CHED CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(C#N)cc1 278765410 OXTPDCJHUWTHEL-WFASDCNBSA-N 297.406 3.602 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1OCC1CC1 280665094 PJVCRTYIKHTXMD-UHFFFAOYSA-N 296.326 3.501 30 20 CHED C=CCCC(=O)N1CCc2ccccc2[C@]1(C)C(F)(F)F 281546696 OFLINYTYBYLWBG-OAHLLOKOSA-N 297.320 3.815 30 20 CHED N#CC1CCC(CNc2nc3cc(F)ccc3o2)CC1 281737902 WSJKTLXTSAUEMT-UHFFFAOYSA-N 273.311 3.709 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCC(F)(F)C2)s1 281959262 JFCVWJNZBLGROK-SNVBAGLBSA-N 270.348 3.535 30 20 CHED CCC[C@@H]1SCCN1C(=O)c1cc(C#N)ccc1Cl 285350451 AVNVPTLBKPHWLS-ZDUSSCGKSA-N 294.807 3.527 30 20 CHED C=CCC[C@@H](NC[C@H]1CSCCS1)c1ccco1 286368376 ZMYJFCIEPUIRHZ-QWHCGFSZSA-N 283.462 3.725 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 287054136 LTNXESJRTFKEKW-JFIYKMOQSA-N 284.403 3.927 30 20 CHED CCCCCCCCCCNC(=O)CCc1ncc[nH]1 287670826 INXZMZOFXFOBBB-UHFFFAOYSA-N 279.428 3.599 30 20 CHED CC(C)(C)OC(=O)Oc1cc(Cl)cc(C#N)c1 288648852 QHZIQYWPIGLMGK-UHFFFAOYSA-N 253.685 3.526 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@@H](C)CCCC)c1 289505324 MKACVYDPIYVGOR-ZDUSSCGKSA-N 258.365 3.710 30 20 CHED N#CC1(C(=O)Nc2cccc(C3CCC3)c2)CCC1 291359962 XAKXNQBOZQQZOM-UHFFFAOYSA-N 254.333 3.586 30 20 CHED Cc1nc(N2CCC[C@@H]2c2ccsc2)ccc1C#N 291720857 WRCJONLDDZZDQT-CQSZACIVSA-N 269.373 3.665 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cccc(NC(C)=O)c1 293785720 TZCPRKKVXABVKS-ZDUSSCGKSA-N 274.408 3.898 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 294265827 BVHMSFVELCOLHA-JOCQHMNTSA-N 289.806 3.752 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@@H](C)CCC 298465806 YFRCFKLOTAOTDI-ZDUSSCGKSA-N 261.365 3.512 30 20 CHED N#Cc1c(F)cccc1N1CCC(OC2CCCC2)CC1 299549796 KUNLMCZNJCPNID-UHFFFAOYSA-N 288.366 3.625 30 20 CHED CSCCc1ccc(Nc2nnc(C)c(C)c2C#N)cc1 301141182 BNKKIBUXVIZKFS-UHFFFAOYSA-N 298.415 3.614 30 20 CHED Cc1cc(F)ccc1CCNc1snc(Cl)c1C#N 301583891 VDJUJJDVOUMELI-UHFFFAOYSA-N 295.770 3.770 30 20 CHED C=CCOc1ccc(Oc2ccc(Cl)c(C#N)n2)cc1 301597014 SQKQHSDOFBWSLI-UHFFFAOYSA-N 286.718 3.964 30 20 CHED N#Cc1ccc(N2CCC[C@@H](Nc3ccccc3)C2)c(F)c1 301685367 VFOUJYRUSDKGQB-MRXNPFEDSA-N 295.361 3.778 30 20 CHED N#Cc1cc(F)ccc1N1CCS[C@H](c2ccccc2)C1 301779336 HZXQIDVFTIPOET-KRWDZBQOSA-N 298.386 3.992 30 20 CHED CCO[C@H]1C[C@H](Nc2c(C#N)cccc2C#N)C12CCCC2 302669391 KEJGZVPEPGAJFS-HOTGVXAUSA-N 295.386 3.580 30 20 CHED Cc1ccc(CNc2cccc(CC#N)c2)cc1C 313413020 UTQZIPVPROQKQL-UHFFFAOYSA-N 250.345 3.982 30 20 CHED CC[C@H](Nc1cccc(OCCCC#N)c1)[C@@H]1CCOC1 314486226 KWADESPTAZZPFC-PBHICJAKSA-N 288.391 3.596 30 20 CHED Cc1ocnc1C/N=C(/O)c1coc(C2CCCCC2)n1 328735295 IXPXUEUDXMRJAG-UHFFFAOYSA-N 289.335 3.524 30 20 CHED CC[C@@H]1OCCC[C@@H]1C(O)=Nc1nccn1-c1ccccc1 328747671 QBYOZKURHVYYQL-GJZGRUSLSA-N 299.374 3.666 30 20 CHED Cc1ncc(N=C(O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cn1 328775109 KMTKOMBOCXGOJQ-MGPQQGTHSA-N 273.380 3.980 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@@H]1C[C@H]1C1CC1 329187830 BHHGDUZXRMCQLV-FMCLSXCISA-N 278.396 3.523 30 20 CHED C[C@H](C/N=C(/O)[C@@H]1CC(O)=N[C@H](C)C1)Cc1cccs1 329659091 HMQBYKOHBNZSIX-TUAOUCFPSA-N 294.420 3.638 30 20 CHED O/C(=N/C[C@@H]1CCCCS1)Nc1nc(C2CC2)cs1 329668746 SCKVGNMPPCFBIM-JTQLQIEISA-N 297.449 3.632 30 20 CHED CC[C@H](C)n1ncc(N=C(O)[C@H]2CCCOCC2)c1C 329933528 BNHCSNHYDVYXNQ-AAEUAGOBSA-N 279.384 3.567 30 20 CHED CC[C@@H]1CCCC[C@@H]1N/C(O)=N/[C@H]1CCOC2(CCC2)C1 330218794 OZEJYLDSBAIROH-ILXRZTDVSA-N 294.439 3.561 30 20 CHED CC1(C)CC[C@H](C/N=C(/O)CC/C(O)=N/C2CCCC2)O1 330250681 NBYAVFORIXTPCI-CYBMUJFWSA-N 296.411 3.580 30 20 CHED CC(C)Oc1ccc(C/N=C(/O)N[C@H]2CC[C@@H](C)C2)cc1 331230774 QCHROUCQQFFMGC-HIFRSBDPSA-N 290.407 3.666 30 20 CHED CC(C)C(C)(C)CN/C(O)=N/CC1CCC(C#N)CC1 331310267 UQOISPIYUTXVHT-UHFFFAOYSA-N 279.428 3.502 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 333411687 KGZOAVBPFUZIND-KEYYUXOJSA-N 274.408 3.545 30 20 CHED CC(C)(C)c1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 334029000 UMXGNBOHFWTYMT-DOMZBBRYSA-N 285.391 3.798 30 20 CHED CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@@H]1c1cccnc1 335172849 DEUJONRWDIKJHI-QGZVFWFLSA-N 295.361 3.675 30 20 CHED CC(C)c1scnc1NC(=O)c1ccc(F)c(C#N)c1 335677429 OOFZDBRKHAAKJZ-UHFFFAOYSA-N 289.335 3.530 30 20 CHED Cc1csc(COc2cc(Cl)cc(C#N)c2)n1 336679708 DHKKLACGBSNIGW-UHFFFAOYSA-N 264.737 3.556 30 20 CHED Cc1nc(Sc2cccc(O)c2)c(Cl)cc1C#N 336787814 FUCKFPJLHCYVKD-UHFFFAOYSA-N 276.748 3.772 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1cccc(C#N)c1F 340935824 FUEIRKGLYNWIIM-UHFFFAOYSA-N 298.361 3.728 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Sc1ccc(C)cc1 342534144 VBIUTTLLYSQZKZ-ZDUSSCGKSA-N 263.406 3.510 30 20 CHED CC(C)(C)c1nc(CNCc2ccc(C#N)s2)cs1 343941841 AOTOXWRHOATOGT-UHFFFAOYSA-N 291.445 3.664 30 20 CHED CCc1cnccc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 344309410 ZFJOCQJDTSVYFH-KBPBESRZSA-N 279.387 3.927 30 20 CHED C=CCC(C)(C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 344632557 SAFIDGSFVKUKDM-UHFFFAOYSA-N 294.398 3.776 30 20 CHED CC(C)C[C@@H](NCc1ccc(C#N)s1)c1ccccn1 345011751 LWBVPHUDQFKDBZ-MRXNPFEDSA-N 285.416 3.892 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc(Oc2ccccc2)cc1 349370252 WEDNMVQKHYSXOO-AWEZNQCLSA-N 294.354 3.853 30 20 CHED C=C(C)CN(C)C(=O)Nc1cnn([C@H](C)CC)c1C1CC1 350021336 OAUXSAUPHYYEAP-GFCCVEGCSA-N 290.411 3.771 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)NCC(C)(C)CCC#N 351066207 SFHGACABAQKYQE-ZIAGYGMSSA-N 279.428 3.584 30 20 CHED C=C(CNC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 353527015 CBNKCBGQUHSTMP-UHFFFAOYSA-N 295.317 3.532 30 20 CHED CN(Cc1cnc(-c2ccsc2)s1)CC(C)(C)C#N 354017548 KUPSUHHPUQYOBU-UHFFFAOYSA-N 291.445 3.853 30 20 CHED CC(C)(C)CCNC(=O)C[C@@H](CC#N)c1ccccc1 354376709 DBLZLGOOARXYSF-OAHLLOKOSA-N 272.392 3.626 30 20 CHED N#Cc1ncccc1NCc1ccc(-c2ccco2)cc1F 357690101 YWVFUIWTYWAHRP-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 358894542 XMSREISUAMWRBP-ZDUSSCGKSA-N 287.407 3.880 30 20 CHED COc1cccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c1 361865107 KEEQCKYFMSODRA-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CC#CCCCC(=O)N1CCC(OC2CCCCC2)CC1 362295888 BHDLQFDDBCXDFV-UHFFFAOYSA-N 291.435 3.520 30 20 CHED C=CCCC[C@H](C)N[C@H]1CCC[C@@H](c2ccnn2C)C1 369616352 RFDKPTHFFVPYMH-XHSDSOJGSA-N 275.440 3.781 30 20 CHED CSC1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 377617082 RLNMPHHZQQUTQS-JKSUJKDBSA-N 286.444 3.654 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCCc3occc3C2)cc1 377869405 OWVRFHMHKBAUDK-CQSZACIVSA-N 296.370 3.519 30 20 CHED C=CCC(C)(C)CNCc1nn(CC)c2ccccc12 380689716 FBVCYSJKOJILDY-UHFFFAOYSA-N 271.408 3.748 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(OC)c(COC)c1 384823595 CPUKYSOEPSNPTP-CYBMUJFWSA-N 277.408 3.704 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 409579457 FUMGURSVKGWXRB-GXTWGEPZSA-N 271.364 3.506 30 20 CHED CC(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1CC#N 410969785 QFTUFJLMQNWINU-JTQLQIEISA-N 264.756 3.637 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C1(CC(C)C)CC1 411057685 PNRXAJJRZDQKOF-UHFFFAOYSA-N 284.359 3.526 30 20 CHED CCN(Cc1cnc2ccc(C)cc2c1)C[C@@H](C)C#N 411206892 FFVGICIMYYQWEU-AWEZNQCLSA-N 267.376 3.525 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)c2ccccc12 411259288 NDKQCFPSIJSPAQ-SFHVURJKSA-N 280.371 3.816 30 20 CHED CCCN(CCc1cccc(F)c1)[C@@H]1CC[C@H](C#N)C1 411284110 RQBQSHZEXOBBNS-DOTOQJQBSA-N 274.383 3.772 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N([C@@H](C)CCC#N)C2)cc1 411683929 HPYVTYSPQNJRKT-YQQAZPJKSA-N 256.393 3.865 30 20 CHED C[C@@H](CCC#N)N1Cc2ccccc2C2(CCC2)C1 411718330 JHLQSBWRBCZMMF-AWEZNQCLSA-N 254.377 3.616 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)NCCCC#N)C1(C)C 413446008 UIGKBFXJJNVVHU-ZDUSSCGKSA-N 279.428 3.536 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc(F)c(F)c1 414160398 CVFMEUIKTIGSGT-JTQLQIEISA-N 252.308 3.555 30 20 CHED C=CCN(CCC#N)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 428853280 WLOUMGATQSHPJS-CQSZACIVSA-N 296.374 3.508 30 20 CHED C=CCC(C)(C)C(=O)NCCSCc1ccc(C)cc1 429933501 XDURQDHVKJXWGA-UHFFFAOYSA-N 291.460 3.947 30 20 CHED Cc1ccc2c(C)cc(N(C)CC(C)(C)C#N)nc2c1 432140966 BWYBJSJQOXYLPW-UHFFFAOYSA-N 267.376 3.838 30 20 CHED CC#CCNC(C)(C)Cc1ccc(C(F)(F)F)cc1 442795122 UQEXAXNHJRKSHM-UHFFFAOYSA-N 269.310 3.639 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(CCN3CCCCC3)cc2)C1 442868611 GWTDJCUZAWWSAD-MJGOQNOKSA-N 297.446 3.819 30 20 CHED Cc1cc(CNCc2ccccc2OC(C)C)ccc1C#N 443986099 ZHYGHDVBGJMEMH-UHFFFAOYSA-N 294.398 3.944 30 20 CHED C=C(C)CCNC(=O)c1cc(F)c(Cl)cc1Cl 448551110 RZBVTDIYFNTSSJ-UHFFFAOYSA-N 276.138 3.829 30 20 CHED C=CC(C)(C)C(=O)Nc1nc2c(C)cccc2s1 448602844 GEMKKFCYSSKKEU-UHFFFAOYSA-N 260.362 3.755 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(OC2CCCC2)cc1 448851088 KLEVXFFYFLTLFR-UHFFFAOYSA-N 287.403 3.836 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(CC(=C)C)CC1 449125080 RSICQGVULMCYQF-MRXNPFEDSA-N 264.457 3.751 30 20 CHED C=CCC1(C(=O)N[C@H]2CCCc3occc32)CCCC1 449416534 UDGBZARFIGQXLR-AWEZNQCLSA-N 273.376 3.910 30 20 CHED CSCC1CCC(NCc2ccc(C#N)c(C)c2)CC1 449424068 OZNMIOAVQKOVPL-UHFFFAOYSA-N 288.460 3.878 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCC1(F)F 452312257 NAYYDVNQXJZADM-YPMHNXCESA-N 259.340 3.530 30 20 CHED CC/C=C\CNC(=O)c1sc2ccc(C#N)cc2c1C 452607109 SSWDJJVDLYTTOL-PLNGDYQASA-N 284.384 3.777 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)c2ccco2)cc1C#N 452657947 TYAAQGRJMKSKEN-UHFFFAOYSA-N 284.315 3.581 30 20 CHED C=CCC[C@H](N[C@@H](C)c1ccncn1)c1ccccc1 453184072 ZHVDXLOLHZTODQ-YOEHRIQHSA-N 267.376 3.835 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ncc(Br)s1 453309144 OYYJUIZKOJQABN-MRVPVSSYSA-N 289.242 3.768 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)Nc2cccc(CC#N)c2)C1 455911109 DMYXOYRWJXFDBI-VIKVFOODSA-N 285.391 3.699 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)Nc2cccc(CC#N)c2)C1 455920583 NSYIWNNWNKJKOJ-HNNXBMFYSA-N 285.391 3.653 30 20 CHED C=CCOCCCC(=O)Nc1cc(OCC)ccc1Cl 456043053 IZTZDDJHNLZJDA-UHFFFAOYSA-N 297.782 3.660 30 20 CHED Cc1ccc([C@@H](NC(=O)N(C)CC(C)(C)C#N)C2CC2)cc1 457583917 WXTXTEWRIAABBA-MRXNPFEDSA-N 299.418 3.637 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(OC(C)(C)C)cc1 457987715 BVONMIRFBNWGOS-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C=CC1CCN(C(=O)NC2CCC(CSC)CC2)CC1 458930333 KVLUVAQWMXLQRF-UHFFFAOYSA-N 296.480 3.516 30 20 CHED C=CC(C)(C)CNC(=O)NC(C)(C)c1ccccc1F 458984520 GQEUJPFSJXIDPD-UHFFFAOYSA-N 278.371 3.572 30 20 CHED Cc1ccc(CNCC(C)(C)CC#N)cc1Cl 459736222 UDMOUSIILWOYEB-UHFFFAOYSA-N 250.773 3.678 30 20 CHED COc1cc(N[C@H]2CCC[C@@H](C#N)C2)cc(OC)c1Cl 459760059 QAEFJCZKIDXCIQ-MNOVXSKESA-N 294.782 3.851 30 20 CHED C[C@H](C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C)c1cccc(C#N)c1 462054570 OEERBRHCKCHYAX-WVZRYYJFSA-N 284.403 3.603 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]2OCc2ccccc2)C1 463241886 IQGSGTGAUGSALM-XWSJACJDSA-N 298.430 3.796 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1c(Cl)cccc1Cl 464763057 ZFXZSNSZBQFRKE-VIFPVBQESA-N 287.190 3.709 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCCCC2)nc1 467515244 XGMKDIYBCPFIJN-QGZVFWFLSA-N 287.407 3.613 30 20 CHED C=CCCCCNC(=O)NCc1c(C)oc2ccccc12 472762274 KXCAUDGTUMEPBX-UHFFFAOYSA-N 286.375 3.897 30 20 CHED C=CCC[C@@H](O)CN[C@H](Cc1ccccc1)c1ccccc1 472777564 YXEWPKDSHUZGAA-WOJBJXKFSA-N 295.426 3.887 30 20 CHED Cc1ccc(=N[C@H](C)c2cc3cccc(F)c3o2)[nH]c1C#N 473913968 UIMBYCRNKHJUJQ-LLVKDONJSA-N 295.317 3.742 30 20 CHED N#Cc1ccc(Cl)cc1Oc1ccc(Cl)c(C#N)n1 474789426 WKFOZJAJEHZPBE-UHFFFAOYSA-N 290.109 3.924 30 20 CHED C[C@@H](CNc1cc(Cl)ccc1C#N)C(F)(F)F 475737581 DLMVXWLYHLVGQC-ZETCQYMHSA-N 262.662 3.822 30 20 CHED CC#CCCN[C@@H]1CCC[C@H]1c1ccccc1Cl 482164839 QGKIHOUCVONBIS-GOEBONIOSA-N 261.796 3.979 30 20 CHED CC#CCNC(=O)Nc1ccccc1-c1cccs1 483872542 SMHQALYBXGDRDL-UHFFFAOYSA-N 270.357 3.560 30 20 CHED CC#CCNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 483880241 HNWPYBCBWKABFJ-UHFFFAOYSA-N 298.317 3.763 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](CC)CSC 485462615 FVRIFQXMLMQRKC-LBPRGKRZSA-N 295.473 3.836 30 20 CHED C[C@@H]1C[C@@H](CSCc2ccc(CC#N)cc2)CCO1 485580979 ZWBGYOMTAAMKSZ-CJNGLKHVSA-N 275.417 3.801 30 20 CHED C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1Cl 485973670 CHRILSOJPQAQBD-GFCCVEGCSA-N 298.773 3.897 30 20 CHED Cc1nc(N2Cc3ccccc3C(C)(C)C2)ccc1C#N 488132977 WUZJGMTXNYHYRJ-UHFFFAOYSA-N 277.371 3.560 30 20 CHED C=CCn1cccc1C(=O)N(CC)[C@H](CC)c1ccncc1 490018754 MGGWKSBYDPAQOW-MRXNPFEDSA-N 297.402 3.683 30 20 CHED C#C[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 491772073 SXXKIPZYTGBICA-KRWDZBQOSA-N 280.758 3.676 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(C)cc1 494705916 CPQFFSFABLQYBB-GDBMZVCRSA-N 272.392 3.806 30 20 CHED CC#CCCNC(=O)c1ccc(-c2ccc(CC)cc2)o1 498996433 PJGYBYZOJVOVBC-UHFFFAOYSA-N 281.355 3.652 30 20 CHED C[C@@H]1CCCC[C@H]1OCCNc1ccc(C#N)cc1F 506849183 CZMYAFUFNMPBKC-MLGOLLRUSA-N 276.355 3.705 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(F)c(C)c1 507863905 NIKUULJZGNOVEW-UHFFFAOYSA-N 263.356 3.695 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C(=O)NCC(C)(C)C#N 512928605 ZAURKIIGSASMSI-OAHLLOKOSA-N 287.407 3.575 30 20 CHED N#CC1(NC(=O)Cc2cc3ccccc3s2)CCCCC1 515592922 UWEPDOBJURBHFO-UHFFFAOYSA-N 298.411 3.786 30 20 CHED C=CCC(C)(C)c1noc(C[C@H]2CCO[C@H](CC)C2)n1 519009116 VEEPLYNTUYHZDW-QWHCGFSZSA-N 278.396 3.671 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CCC(C)(C)C)cc1 519724799 LBLAARXRWRLOAS-HNNXBMFYSA-N 272.392 3.756 30 20 CHED C=CC1CCN(c2nnc(-c3ccccc3)s2)CC1 521961123 ZBMOWKTYYCLNID-UHFFFAOYSA-N 271.389 3.608 30 20 CHED C=CCCCSc1n[nH]c(/C=C\c2ccc(C)o2)n1 524229958 JZEIERNMCWDDOX-HJWRWDBZSA-N 275.377 3.935 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 528802660 BZHPZMDTLSXKTN-HOCLYGCPSA-N 284.403 3.721 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1cc(C)ccc1OC 529481010 ZEOMOTXHIOJUHQ-CYBMUJFWSA-N 288.391 3.511 30 20 CHED COCc1ccc(N[C@@H](C)CCc2ccco2)cc1C#N 529645970 YBVIJECLIVOAQI-ZDUSSCGKSA-N 284.359 3.731 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCC[C@@H]1CCCC)OCC 533717566 UWWSTFWMGSCXAV-XHSDSOJGSA-N 281.440 3.833 30 20 CHED C=C[C@H](CC(=O)N(CCCC)CCOC)c1ccccc1 534679294 PXAFHOPVIBUYDJ-MRXNPFEDSA-N 289.419 3.621 30 20 CHED C=C(C)COCCN[C@H]1CCCc2ccc(Cl)cc21 536846598 QSKDNIKXBQAWLK-INIZCTEOSA-N 279.811 3.900 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 537641367 PBMUJPCYHDAHPU-UMVBOHGHSA-N 255.365 3.724 30 20 CHED Cc1ccc(F)c2c1CCCN2CCC(C)(C)C#N 538466229 GWAOWKIOAWGTBU-UHFFFAOYSA-N 260.356 3.827 30 20 CHED C=CCN(C(=O)N[C@@H](CCC)c1ccccc1)C1CC1 538960335 WYDKBEXKAMVHNP-INIZCTEOSA-N 272.392 3.888 30 20 CHED C=CCN(C(=O)[C@@H](C)Sc1ccc(C)cc1)C1CC1 539036580 VACWTGIHAGBOPI-CYBMUJFWSA-N 275.417 3.653 30 20 CHED C=CC[C@H](CC)NC(=O)NCC1(CCOC)CCCCC1 543623829 MOQBEVKLTBCLLE-HNNXBMFYSA-N 296.455 3.627 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 544354195 WVKTULZWPRCTLA-HRCADAONSA-N 296.455 3.624 30 20 CHED CC(C)(C)Oc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 546982328 OIJLUZLSVDKUPB-UHFFFAOYSA-N 297.358 3.859 30 20 CHED CCOC1(CNc2ncc(Cl)c(C)c2C#N)CCCC1 549576463 OKNZGQQHSXWHHG-UHFFFAOYSA-N 293.798 3.676 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)c1ccc3ccccc3c1)CC2 550522408 CDVIORSOBISHKO-UHFFFAOYSA-N 298.345 3.914 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Cn1ccc2ccccc21 552550700 JFKOGUZXGYBFGO-WBVHZDCISA-N 296.414 3.845 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCC(F)(F)C1 552997456 KXQQKPKNCJDWCM-TZMCWYRMSA-N 273.367 3.921 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C(C1CCC1)C1CCC1 554739538 USJWAJWXXCVWRJ-QGZVFWFLSA-N 276.424 3.647 30 20 CHED C=CCCCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 556226360 HANQZVKANWMOFH-KUHUBIRLSA-N 279.449 3.773 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)[C@H]2CCC[C@@H]21 556958470 GGCDKXYPUBCEHD-KBPBESRZSA-N 260.406 3.630 30 20 CHED C/C=C/c1ccc(NC(=O)Cc2c(F)cccc2C#N)cc1 557936816 PTSUOJJCQPITSW-DUXPYHPUSA-N 294.329 3.912 30 20 CHED CCCc1csc(CN2CCCC(C)(C)[C@@H]2C#N)n1 562488938 ISAUDOVFFNMTSM-ZDUSSCGKSA-N 277.437 3.610 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNC2CCC(C)(C#N)CC2)o1 562519314 JNOHIKIMWQXBDF-RXAYYZCOSA-N 272.392 3.965 30 20 CHED Cc1ccccc1C(C)(C)NCCOc1ccccc1C#N 568658849 JGPVLNVDUNUEII-UHFFFAOYSA-N 294.398 3.770 30 20 CHED CCC(CC)N(CC)C(=O)Nc1cc(C#N)ccc1C 569647585 QQVOHKHEMJBBJQ-UHFFFAOYSA-N 273.380 3.909 30 20 CHED CC[C@H](O)CNc1ccc(Oc2ccc(C#N)cc2)cc1C 581939110 LBHBTLCFPFBCBB-HNNXBMFYSA-N 296.370 3.842 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nc(-c2ccncc2)cs1 583315891 QCSUKFOWQXONAS-OUCADQQQSA-N 298.415 3.548 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1nc(CC)c(C)s1 584104186 AQQVVVLMOXCPKW-SNVBAGLBSA-N 281.425 3.880 30 20 CHED N#CC1(C(=O)N2CCC[C@@H](c3ccccc3)C2)CCCCC1 584131669 MXSYOAWBFNFNRK-QGZVFWFLSA-N 296.414 3.867 30 20 CHED N#Cc1nc(Oc2cccc(F)c2)ccc1C(F)(F)F 584508621 NVRHKTRZIYYCNN-UHFFFAOYSA-N 282.196 3.903 30 20 CHED N#CCCCCCC(=O)NC1(c2cccc(Cl)c2)CC1 588381317 ZWYGEGQHBQJWOX-UHFFFAOYSA-N 290.794 3.919 30 20 CHED N#CC1(COC(=O)/C=C\c2ccc(Cl)s2)CCC1 588477969 LNFBZZGWVOQQMD-HYXAFXHYSA-N 281.764 3.652 30 20 CHED Cc1ccc(C#N)nc1N1CCSC2(CCCCC2)C1 589112093 BQMYANSZUPGCGB-UHFFFAOYSA-N 287.432 3.518 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 590673270 YRWAFNXDGGDBSX-LXZKKBNFSA-N 284.403 3.952 30 20 CHED C=C1CCN(C(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 591091472 IVPRHIGTBVPTRS-HIFRSBDPSA-N 273.376 3.514 30 20 CHED CC(C)C(NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(C)C 593993526 VNICOASIDFCTJE-AWEZNQCLSA-N 286.419 3.534 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1sc2cc(F)ccc2c1C 594091369 LFGRDKMQVBXBOC-LLVKDONJSA-N 290.363 3.723 30 20 CHED CC(C)c1nc(CSc2ccncc2C#N)cs1 594909538 OGFMHTRHSGJVCA-UHFFFAOYSA-N 275.402 3.825 30 20 CHED Cc1nc([C@H](C)NCCc2ccc(C#N)cc2)c(C)s1 595055896 MCPZWLXJVUZBBP-NSHDSACASA-N 285.416 3.525 30 20 CHED CCC(CC)(CC)CNC(=O)N1CCC[C@@H](CC#N)C1 595555165 IFPHEYBBMXGQRH-AWEZNQCLSA-N 279.428 3.538 30 20 CHED Cc1cc(-c2noc(CC3(C#N)CCCCC3)n2)ccc1O 596590696 FFSMWCDSCFJDDU-UHFFFAOYSA-N 297.358 3.767 30 20 CHED CC[C@@H](C#N)c1ccc(-c2ccc(OC)cc2CO)cc1 596641206 CSHGJHFSMPADGS-ZDUSSCGKSA-N 281.355 3.872 30 20 CHED N#CCN(C(=O)c1cc2cc(Cl)ccc2s1)C1CC1 596916072 FAYKKABTQBAYNJ-UHFFFAOYSA-N 290.775 3.683 30 20 CHED CSc1cc(Cl)ccc1NC(=O)CC(C)(C)C#N 597896988 UMHIXCRHDGZAAH-UHFFFAOYSA-N 282.796 3.940 30 20 CHED C=CCCSCCNC(=O)[C@@H](CC=C)c1ccccc1 597966897 FERARFRGVDGHES-INIZCTEOSA-N 289.444 3.772 30 20 CHED C[C@H](C#N)N(C(=O)CCCc1ccccc1Cl)C1CC1 598133954 CTZJZFDHFGKSGH-GFCCVEGCSA-N 290.794 3.566 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1c(F)cccc1F 598808933 FWBNQMYCWGJBLO-UHFFFAOYSA-N 292.329 3.792 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2cncc(C#N)n2)c2ccccc21 599156622 FTGNRFZDDMOIAA-HOTGVXAUSA-N 278.359 3.645 30 20 CHED N#CC1(CCN2Cc3ccc(O)cc3C2)CCCCC1 599536114 FRQCUQDLOUNXBA-UHFFFAOYSA-N 270.376 3.572 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)[C@H](C)c1ccccc1 599621165 DBRCBAHUVSXYRV-UONOGXRCSA-N 272.392 3.625 30 20 CHED CC[C@@H](C)Cc1noc(C[C@H](CC#N)c2ccccc2)n1 601399965 VHOBTKKUYSPTMM-HIFRSBDPSA-N 283.375 3.898 30 20 CHED CSCc1cccc(CNC[C@@H](C)CCC#N)c1 602626980 CNGRXJQANNLTCK-ZDUSSCGKSA-N 262.422 3.579 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CCCC(C)(C)C1 602679857 AVPUFRJUVGUNOY-HZPDHXFCSA-N 292.467 3.891 30 20 CHED Cc1cc(C#N)cc(N[C@H](c2nc[nH]n2)C2CCCCC2)c1 602687422 VSXNSRHBOITFEM-INIZCTEOSA-N 295.390 3.718 30 20 CHED C=CC[C@@H](C)NC(=O)CCOc1ccc(C(C)C)cc1 604880120 UQVDKNTUSWNNCH-CQSZACIVSA-N 275.392 3.660 30 20 CHED CN1CCN(c2cc(Cl)ccc2C#N)Cc2ccccc21 609892729 VDKRTZQBYAQXOJ-UHFFFAOYSA-N 297.789 3.668 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1CCOc1ccc(C#N)cc1 610002033 XKTMEUGFQOAONQ-CRAIPNDOSA-N 286.419 3.838 30 20 CHED CC(=O)Nc1c(C)ccc(NCc2ccc(C#N)s2)c1C 610910398 XGVDHSZQNUXJOF-UHFFFAOYSA-N 299.399 3.807 30 20 CHED CN(c1ccccc1)c1ccc(CN(CC#N)C2CC2)cc1 611264911 COCYUDSQQLGZSW-UHFFFAOYSA-N 291.398 3.942 30 20 CHED Cc1ccc(CSCCCOc2cccc(C#N)c2)nc1 611469818 BPGIWYDPCVBRIL-UHFFFAOYSA-N 298.411 3.964 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(O)cc1 611526567 USGZQWRHIZNFPQ-OALUTQOASA-N 292.382 3.664 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](Cc2ccccc2)C1 614400850 JHCRQJLXGHZGKU-LJQANCHMSA-N 290.410 3.931 30 20 CHED Cc1ccnc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 616757987 UTJXJJGEKVDFMJ-OALUTQOASA-N 291.398 3.662 30 20 CHED C=CCCNC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 617618048 ACQNYUVQFZYZTF-CYBMUJFWSA-N 299.336 3.966 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCC1CCCC1 618739766 RRTNJCQBXDXWNZ-QGZVFWFLSA-N 282.387 3.632 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccccc2OC)CCCC1 619154907 CYJGAHPRKGQSTG-JKSUJKDBSA-N 299.414 3.804 30 20 CHED CCCC1(C(=O)NCc2ccc(C#N)c(Cl)c2)CCC1 619764815 JVJZAMSIDWWPRP-UHFFFAOYSA-N 290.794 3.798 30 20 CHED C=CCN(Cc1cccs1)Cc1c(C2CC2)cnn1C 667484345 JBFKJWJJQMOZIJ-UHFFFAOYSA-N 287.432 3.547 30 20 CHED CC#CCCNC(=O)Nc1ccc(COC(C)(C)C)cc1 680469950 IANANRCDKZBPAN-UHFFFAOYSA-N 288.391 3.537 30 20 CHED C=CC[C@H](CC)NC(=O)NC1(C)CCC(F)(F)CC1 684929430 ZZHOVXUUZGIGHJ-NSHDSACASA-N 274.355 3.608 30 20 CHED C=CCOc1ccccc1CNCc1nc(C)c(C)s1 719595834 PZWGOHXJSHTADX-UHFFFAOYSA-N 288.416 3.615 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccc(COC)c2)c1 726454882 FBIVHKXVWRDDPF-UHFFFAOYSA-N 296.395 3.623 30 20 CHED COc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)ccc1C 727640100 UXOMRAMRSHAKGE-CYBMUJFWSA-N 295.338 3.793 30 20 CHED C#CCOc1ccc([C@H](C)OC(=O)c2cc(C)oc2C)cc1 730426899 FZLNSIIRSNHSIC-ZDUSSCGKSA-N 298.338 3.826 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1cccnc1 731978104 BUSJVXUZDJNIQH-OAHLLOKOSA-N 276.424 3.737 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@@H]2c2ccccc2)n1 732526944 ABYYHGCHIFCMJO-OAHLLOKOSA-N 280.375 3.829 30 20 CHED C=CC[C@H](NCC1=Cc2ccccc2OC1)c1ccncc1 734510809 ZPEVBULKOOKXPE-SFHVURJKSA-N 292.382 3.764 30 20 CHED COc1cccc(/C=N/[C@H](Cc2ccccc2)C2CC2)c1O 736430866 LBFUDGODDCAJPH-UOBPLZBXSA-N 295.382 3.841 30 20 CHED CCCCC(COC)=NNc1ccc(F)cc1F 737415712 GSIVOKMPPTWMBG-UHFFFAOYSA-N 256.296 3.569 30 20 CHED COc1ccc(/C=C2\COc3ccc(C)c(C)c3C2=O)cc1 737444689 SIFUBFQLBWELIZ-XNTDXEJSSA-N 294.350 3.971 30 20 CHED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1ccc(O)cc1 737445162 YRZNWQXRUAGMCG-DAXSKMNVSA-N 298.729 3.589 30 20 CHED O=C1/C(=C/c2ccc(F)cc2F)CCc2c(O)cccc21 742434283 FBTQIILENMMJGF-DHZHZOJOSA-N 286.277 3.883 30 20 CHED C=C(C)CCOC(=O)C[C@@H](C)c1ccccc1OC 744304109 FOWZDFBUUFKGEN-CYBMUJFWSA-N 262.349 3.698 30 20 CHED CC(=NN=C(C)c1cnccn1)c1ccc2c(c1)CCCC2 745206814 QMWMQBJXPHKPNP-UHFFFAOYSA-N 292.386 3.589 30 20 CHED O=C(C#Cc1ccccc1)NCc1cccc2ccccc12 747355656 UUXAAJLCRYNYDC-UHFFFAOYSA-N 285.346 3.508 30 20 CHED C=CCCCC(=O)O[C@H](C)c1ncc(C(C)(C)C)o1 748233502 BQTPKGCZLNNQRN-LLVKDONJSA-N 265.353 3.933 30 20 CHED C=CCN(C(=O)N[C@@H](CCC)CCCC)C(C)C 748979073 SPKVOHIPUWNZAF-AWEZNQCLSA-N 254.418 3.951 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)OCc2ccc(C#N)cc2)C1 750244973 XPUSXRSACQUCSX-CJNGLKHVSA-N 271.360 3.818 30 20 CHED COc1ccc(NN=Cc2ccc(F)cc2C)cc1 750924038 JCZYPDPZYNWRJA-UHFFFAOYSA-N 258.296 3.589 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc3c(c2)CCN3C)c1 751527843 ZOCXQHDXHFQGRF-CLFYSBASSA-N 293.366 3.584 30 20 CHED CO[C@@H]1C[C@@H](/N=C/c2c(O)ccc3ccccc23)C1(C)C 753138859 PSVOLMJWJVTBHR-JURCDDRXSA-N 283.371 3.778 30 20 CHED Cc1ccc(C=NNc2ccc(C(F)(F)F)nn2)cc1C 754711377 OVWHTGRUVOZCPE-UHFFFAOYSA-N 294.280 3.558 30 20 CHED CCCCCCCCNC(=O)Cc1cccc([N+](=O)[O-])c1 754840374 AKJHCDYYGBCWSX-UHFFFAOYSA-N 292.379 3.614 30 20 CHED CCCCCCCCNC(=O)c1ccccc1COC 754852575 CAFQMGOALKUVHA-UHFFFAOYSA-N 277.408 3.923 30 20 CHED C(=NNc1cnc2ccccc2n1)c1cccc2[nH]ccc12 755682862 LKYJIEWRPBULOA-UHFFFAOYSA-N 287.326 3.557 30 20 CHED Fc1ccc2c(c1)C(=NO[C@H]1CCCCO1)CCS2 755822377 QPFHHKPLBMPKDU-AWEZNQCLSA-N 281.352 3.569 30 20 CHED CCC(=NNc1cc(C)ccn1)c1ccc(C)cc1 755900960 SGZKFGUYJRIJCM-UHFFFAOYSA-N 253.349 3.925 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(SC(F)(F)F)cc1 757006435 HLOQCZCTSZLEFK-MRVPVSSYSA-N 275.295 3.603 30 20 CHED CCC(=NOCC(F)F)c1ccc(Br)cc1 758910186 IPEMFBFHWNBSAB-UHFFFAOYSA-N 292.123 3.845 30 20 CHED N#Cc1ccc(OCCCNc2ccc(F)c(F)c2)cc1 759161764 MQGDWEFKPKNCRK-UHFFFAOYSA-N 288.297 3.717 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(N)cc1C 761885824 UTHROMXNVIXWPB-UHFFFAOYSA-N 287.338 3.561 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1ncnc2ccsc12 764835409 LPBRBVFNISTBDK-JTQLQIEISA-N 294.383 3.700 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCc2ccon2)cc1 766420509 HYDTVTNVQIIDTI-GFCCVEGCSA-N 292.766 3.657 30 20 CHED CC(=NNc1cccc(Cl)c1)c1cncc(C)c1 767359308 OWFXRYPLWHWGLS-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CC#CCCCC(=O)[C@H](C#N)c1ccc2ccccc2n1 767958175 BVGMXIVRMXCOEW-OAHLLOKOSA-N 276.339 3.605 30 20 CHED CC(C)CN(CCC#N)Cc1ccccc1C1CC1 768153619 HTRHNEJCYCUAJV-UHFFFAOYSA-N 256.393 3.936 30 20 CHED N#CCc1cccc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 771016627 PKCHYKNRGGDVRN-ZMSDIMECSA-N 283.371 3.878 30 20 CHED CC(C)CNN=Cc1c[nH]c2cccc(Br)c12 771567013 LXPONQNAMJLWOD-UHFFFAOYSA-N 294.196 3.510 30 20 CHED CC(C)(C)OC(=O)N[C@H]1CCCC1=NNc1ccccc1 773179809 HZJRUHAPSCRZBU-ZDUSSCGKSA-N 289.379 3.532 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1oc(C)nc1C#N 773201726 RROWYFSRJLASTO-UHFFFAOYSA-N 288.738 3.539 30 20 CHED CC(=NOC1CCCC1)c1ccc(F)cc1N(C)C 774608577 PRUAEUYLFKSYGU-UHFFFAOYSA-N 264.344 3.575 30 20 CHED C#C[C@@H](C)N(C)Cc1cn(-c2ccccc2)nc1C(C)(C)C 775179869 STTFCSZKGUBJNV-OAHLLOKOSA-N 295.430 3.623 30 20 CHED CCOc1cccc(C(=O)O[C@@H](C#N)C2CCCCC2)c1 776380329 HTTXNPXBJIVRJU-INIZCTEOSA-N 287.359 3.715 30 20 CHED CC(C)(C#N)CCOC(=O)c1cccc(F)c1Cl 776391634 QDMGYVVUQDWQBF-UHFFFAOYSA-N 269.703 3.576 30 20 CHED CC1(C)Cc2cccc(C=NOCCC(F)(F)F)c2O1 777459730 KYNWSMOECIGLLY-UHFFFAOYSA-N 287.281 3.703 30 20 CHED C=CCN(CCc1ccco1)C/C(Cl)=C\Cl 778996604 RSXGFNVWCMCIQN-PKNBQFBNSA-N 260.164 3.629 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccc(F)cc1F 779772108 MQVRPUSNSRZWPD-UHFFFAOYSA-N 279.330 3.507 30 20 CHED Cc1oc2ccccc2c1C=NN[C@H]1CCOC(C)(C)C1 780246961 NCXAYRODSGMSPY-ZDUSSCGKSA-N 286.375 3.622 30 20 CHED C#CC[C@H](NCCCc1ccccc1OC)c1ccccc1 780311470 CGWUQLFYEBBXRG-IBGZPJMESA-N 293.410 3.982 30 20 CHED C/C(C=NNc1ccnc(F)c1)=C/c1ccccc1 781133248 ASZIYRVNFUBIHO-SAKDXEPDSA-N 255.296 3.722 30 20 CHED CCOc1ccc(C=NNc2ncccc2Cl)cc1F 782205343 LPWMGPJJQNJYMB-UHFFFAOYSA-N 293.729 3.719 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 782285677 CEJHQWUWWQUMHB-ZDUSSCGKSA-N 295.770 3.750 30 20 CHED Cn1ccc2c(C(=O)OCCCC(C)(C)C#N)cccc21 783399769 DCTGCGMORSKBEK-UHFFFAOYSA-N 284.359 3.665 30 20 CHED CCc1ccccc1NC(=S)N1CCC[C@](C)(C#N)C1 783772979 JBLNYUUYGLQDCK-MRXNPFEDSA-N 287.432 3.571 30 20 CHED CC(C)[C@H](C#N)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786384846 YZGUUAZSLZHJEN-WBMJQRKESA-N 284.359 3.753 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1cccc(Cl)c1F 786645122 XYCDFZLEWWWUIV-CYBMUJFWSA-N 256.704 3.987 30 20 CHED COc1ccc(CNN=C(C)c2csc(Cl)c2)cc1 787154003 SUVVHUWITOTIEM-UHFFFAOYSA-N 294.807 3.924 30 20 CHED O=C(/C=C/c1cscc1Cl)c1cncs1 787170898 CHGDQJQCXPXWAE-OWOJBTEDSA-N 255.751 3.754 30 20 CHED C(=NN[C@H]1CCOC1)c1ccc(Sc2ccccc2)cc1 788440718 XCWCEXQQBCIBEZ-HNNXBMFYSA-N 298.411 3.550 30 20 CHED CC(C)C[C@H]1CCCC(=NNc2cc(Cl)nc(N)n2)C1 794526015 FPROUBCLXRILIH-SNVBAGLBSA-N 295.818 3.716 30 20 CHED Fc1ccc2c(c1)C(=NNCCC(F)(F)F)CCS2 794548662 XXWKVKVOLFAFCU-UHFFFAOYSA-N 292.301 3.568 30 20 CHED O=C(/C=C/c1ccccc1OC(F)F)c1ccnc(F)c1 794721508 YSTUGGMOHFQTPR-AATRIKPKSA-N 293.244 3.718 30 20 CHED O=[N+]([O-])c1cc(NN=C2CCC[C@@H]2CCF)ccc1F 794930015 AFIZTVWMFWNVTN-SECBINFHSA-N 283.278 3.662 30 20 CHED N#Cc1cccc(COC(=O)[C@@H](F)CC2CCCCC2)c1 796208124 YUBCRJBLNTXCBA-INIZCTEOSA-N 289.350 3.910 30 20 CHED C=CCC(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 796776073 SXQHXBNTGIMFEY-LLVKDONJSA-N 268.316 3.606 30 20 CHED C=CC[C@H](CC)NC(=O)CCCc1ccsc1 798554569 RKFJQLFAJUYGBE-ZDUSSCGKSA-N 251.395 3.542 30 20 CHED C=CCC[C@H](C(=O)O[C@@H]1CC[C@@H](OC)C1)c1ccccc1 800031712 UFNLVVJDICVJTH-ZACQAIPSSA-N 288.387 3.847 30 20 CHED C=CCCCCCCNC(=O)c1cccc(CC#N)c1 805217483 CGWVHVPCOJGHAA-UHFFFAOYSA-N 270.376 3.619 30 20 CHED C=CCCCCCCNC(=O)Cc1cc(F)ccc1F 805218933 PSOUZTSSEZGGQI-UHFFFAOYSA-N 281.346 3.760 30 20 CHED Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)CCC#N)s1 806510665 ZEXUZNVWPQWUFP-GFCCVEGCSA-N 293.436 3.747 30 20 CHED C(=NNc1nccnc1C1CCC1)[C@H]1C[C@H]1c1ccccc1 807991108 IYDOKIUAVJBGCE-CVEARBPZSA-N 292.386 3.946 30 20 CHED CC(=NNc1nc[nH]n1)c1ccc(C2CCCCC2)cc1 807996282 OHXCKRGIMYPMBZ-UHFFFAOYSA-N 283.379 3.689 30 20 CHED CC(=NNCC1CCCC1)c1nc2ccccc2s1 808005827 KBQVGPJDFFZYAV-UHFFFAOYSA-N 273.405 3.800 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)c2ccc(C)o2)cc1 809257955 MHFSLMRMIPFXRB-BBRMVZONSA-N 296.370 3.635 30 20 CHED C#Cc1ccc(CNCc2cccc(CSC)c2)cc1 809650162 PTIYCJSLDAAWMT-UHFFFAOYSA-N 281.424 3.821 30 20 CHED C=CCCCCOC(=O)[C@H](C)CC(=O)c1cccc(F)c1 811011805 NFDOQKXTBKIEPU-CYBMUJFWSA-N 292.350 3.934 30 20 CHED N#Cc1ccc(C(=O)OCc2cc(Cl)cc(Cl)c2)[nH]1 811201682 JMEXUYJRCOHROL-UHFFFAOYSA-N 295.125 3.550 30 20 CHED Cc1ccc(CCC(=O)OCc2ccc(C#N)c(C)c2)s1 811256355 ZSWFGDMKEMOGGZ-UHFFFAOYSA-N 299.395 3.913 30 20 CHED C#C[C@H](Nc1nc(C)ccc1C#N)c1ccc(Cl)cc1 811862511 WMFWYSVVZNZIIF-HNNXBMFYSA-N 281.746 3.702 30 20 CHED C#C[C@@H](NC(=O)NCCC=C(C)C)c1ccc(Cl)cc1 811908479 JOJRBQYLWWAWEK-OAHLLOKOSA-N 290.794 3.670 30 20 CHED c1ccc(CN2[C@H]3CC[C@@H]2CC(=NOC2CCC2)C3)cc1 812235463 HGEIBFWQAMUVNQ-CALCHBBNSA-N 284.403 3.739 30 20 CHED N#Cc1ccc(COc2cccc(Cl)c2[N+](=O)[O-])cc1 814775546 NTTKSOFZPLQYPQ-UHFFFAOYSA-N 288.690 3.699 30 20 CHED Oc1cc(F)c(Cl)cc1C=NOCc1ccccc1 814791808 MWNRPCYXKMMTSU-UHFFFAOYSA-N 279.698 3.735 30 20 CHED CCCCCC[C@@H](C)NN=C(C)C1CCN(C)CC1 814859660 ZNFRZQYBQRUSHI-CQSZACIVSA-N 267.461 3.653 30 20 CHED CCCCCCCCCN(C)C(=O)C1(C(C)=O)CC1 815089842 OBBPHCQLVLRCJY-UHFFFAOYSA-N 267.413 3.565 30 20 CHED C[C@@H]1CC[C@@H](C)[C@H](OC(=O)c2cc(C#N)cs2)C1 816225003 NDPMVZCBCQLXOR-CKYFFXLPSA-N 263.362 3.601 30 20 CHED C[C@@H]1CC[C@@H](C)[C@@H](OC(=O)c2cc(C#N)cs2)C1 816225004 NDPMVZCBCQLXOR-FOGDFJRCSA-N 263.362 3.601 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc2ccccc2c1O 816599019 ZKQWTZWELHYJGN-LPHOPBHVSA-N 297.398 3.616 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)/C=C\c1ccccc1C#N 819180512 BZEWTRIOBJUFAK-ZBTGYSDGSA-N 282.387 3.514 30 20 CHED CC(C)CN(CCC#N)C(=O)C1[C@H]2CCCCCC[C@H]12 824234032 BXUMBYNPRZIMIO-GJZGRUSLSA-N 276.424 3.601 30 20 CHED CO[C@@H]1CC(=NNc2ccc(OC(F)F)cc2)C12CCC2 834951888 GXGRVTBDKNQMFW-CYBMUJFWSA-N 296.317 3.645 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(Br)cs1 835163532 YAFILECXAOAVEB-UHFFFAOYSA-N 289.194 3.766 30 20 CHED C=CC(C)(C)COC(=O)[C@@H]1CCC(=O)c2ccccc21 835721467 KNDAMEVLTCIYEI-CQSZACIVSA-N 272.344 3.502 30 20 CHED C#Cc1ccc([C@H](OC(=O)[C@H](C)C2CC2)C(F)(F)F)cc1 836081236 RHVZQVCRGQVCFQ-YGRLFVJLSA-N 296.288 3.861 30 20 CHED C[C@@]1(CC(=O)N(CC#N)c2ccccc2)CC1(Cl)Cl 839267422 QGRVNTFGKQOTRD-CYBMUJFWSA-N 297.185 3.517 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1CCCCCCC1 840233108 BKHVHICPOHMZNE-UHFFFAOYSA-N 283.297 3.743 30 20 CHED C=CCC1(C(=O)OCc2cc(C)nc(Cl)c2)CCC1 840489332 KSZSXOJKJFKJQT-UHFFFAOYSA-N 279.767 3.833 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CCCCC2(F)F)c1 840707155 OAKIXZCALCDSIZ-CPWFCVNUSA-N 298.289 3.545 30 20 CHED CCOc1ccc(O)c(/C=N\CCCc2ncccc2C)c1 840711599 ZYIXRLZQVZNTHW-UYRXBGFRSA-N 298.386 3.546 30 20 CHED N#CCOc1cccc(OC(=O)C(C2CCC2)C2CCC2)c1 841344191 QLGSYDHQWQLLHY-UHFFFAOYSA-N 299.370 3.711 30 20 CHED C#C[C@H](OC(=O)CCC=C)c1cccc(C(F)(F)F)c1 842410584 YJIQYQOYJZQVKP-ZDUSSCGKSA-N 282.261 3.889 30 20 CHED CCCCC[C@H](CC)C(=O)N(C)c1ccc(C#N)nc1 844827086 XVBSLWTWCUGODF-ZDUSSCGKSA-N 273.380 3.523 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@@H](C)CSc1ccccc1 846712838 KQFVOSRRUSVRDO-LBPRGKRZSA-N 298.839 3.561 30 20 CHED CCCCCCCCC(=O)N(C)[C@H](C)c1nc(C)no1 847213191 QRSWJDCMGARCKT-GFCCVEGCSA-N 281.400 3.648 30 20 CHED CC[C@H](COC(=O)[C@]1(C#N)CC12CCCC2)CC(F)F 849791109 KHPWLBUAGAHXMS-XHDPSFHLSA-N 285.334 3.685 30 20 CHED C#CCCCCNCc1ccc(Oc2ccc(F)cc2)nc1 850186606 QYDGBPLYSSWVDG-UHFFFAOYSA-N 298.361 3.906 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1ccccn1 850819112 KFRKGBVNDHNCOH-CIRFHOKZSA-N 297.398 3.906 30 20 CHED C=C[C@H](OC(=O)[C@H](CC(C)C)OC)c1ccccc1 851451702 KYIPIYHBSPWOSI-GJZGRUSLSA-N 262.349 3.518 30 20 CHED CC(CC(C)(C)C#N)=NNc1cccc(Br)n1 853357743 YTJBJKUJNRUNQP-UHFFFAOYSA-N 295.184 3.572 30 20 CHED C#CCCCOc1cccnc1NCCC1CC(F)(F)C1 853679301 WEWXQVCWKVDNDE-UHFFFAOYSA-N 294.345 3.721 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1ccc(F)c(Cl)c1 860870605 RFWWVUDBBGHEOU-SNVBAGLBSA-N 297.757 3.893 30 20 CHED CCCCCCCCSc1nc(O)c2cnn(C)c2n1 863363207 QSKGGCYJWRZMLR-UHFFFAOYSA-N 294.424 3.522 30 20 CHED CNc1ccc([N+](=O)[O-])cc1N[C@@H](C)c1cccc(C#N)c1 864039274 AWQXGINVOWWRQY-NSHDSACASA-N 296.330 3.681 30 20 CHED CSc1ccc([C@H](C)Nc2cc(C#N)nc(C)n2)cc1 882306431 BSQPUZFLSCJBGS-JTQLQIEISA-N 284.388 3.552 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CC[C@H](CF)C1 882839727 ZWIHFNRNPLKINQ-SNVBAGLBSA-N 289.741 3.556 30 20 CHED CCC/C=C\C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887699324 WAFIOMODKCVNLW-PLNGDYQASA-N 282.387 3.621 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnc(Cl)cc1Cl 890997184 GRUMEHQBKGIXIW-UHFFFAOYSA-N 273.163 3.929 30 20 CHED C=C1CC(c2noc(Cc3c[nH]c4cccc(C)c34)n2)C1 896882527 UQQFBDXPRCVMSG-UHFFFAOYSA-N 279.343 3.884 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cnn(C2CCC2)c1 899345631 QPWLZXSMSSKOFX-VQHVLOKHSA-N 296.370 3.821 30 20 CHED CN(C)c1cc(NCC2(CC#N)CC2)ccc1Cl 902254501 FMLAQYKWJATVGP-UHFFFAOYSA-N 263.772 3.512 30 20 CHED C=CC[C@@H]1N(Cc2cc(C(=O)O)co2)CCCC1(C)C 902545763 LBYUFHGIEQBHSC-AWEZNQCLSA-N 277.364 3.545 30 20 CHED C=C[C@H](CC)Cc1nc([C@@H]2CCC(F)(F)C2)no1 904069747 QDCOVTUQKGPNEC-NXEZZACHSA-N 256.296 3.727 30 20 CHED C=C1CCC(c2nc(-c3cccc(C(=O)OC)c3)no2)CC1 904608998 SCMBXWQJGKODJR-UHFFFAOYSA-N 298.342 3.737 30 20 CHED C=CCN(C(=O)COc1ccc(C(C)C)c(C)c1)C(C)C 914683610 VARGWQQZARRDAB-UHFFFAOYSA-N 289.419 3.920 30 20 CHED C=CCN(C(=O)c1cccc(-n2cccc2)c1)C(C)C 915153192 FPPJPUOOLPFPHH-UHFFFAOYSA-N 268.360 3.514 30 20 CHED CCCCNN=C(C)c1ccc(F)c(Br)c1 915966567 XIZXCJISXNDRLC-UHFFFAOYSA-N 287.176 3.702 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 916269077 PZHYXJKPHWWNHR-UHFFFAOYSA-N 299.330 3.830 30 20 CHED C=CCN(Cc1ccc(OC)c(Br)c1)C(C)C 917071573 WNQGNUQINFXUJE-UHFFFAOYSA-N 298.224 3.854 30 20 CHED C=CCN(C(=S)Nc1cccc(Cl)c1)C(C)C 917589361 SMNKGTZDYMUBLA-UHFFFAOYSA-N 268.813 3.933 30 20 CHED N#CCc1cccc(C(=O)NCC2CCCCCCC2)c1 917819489 BQUXWYRLZLPXQJ-UHFFFAOYSA-N 284.403 3.843 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1ccc(C)s1 919787136 LZTQHSKZRPQJEW-LBPRGKRZSA-N 264.394 3.501 30 20 CHED COc1ccc(O)c(C=Nc2ccccc2Cl)c1 920943305 CAQNLZPSYFZPLU-UHFFFAOYSA-N 261.708 3.805 30 20 CHED CCCOc1ccccc1N=Cc1ccccc1O 920945127 QIXAKRDKYZQTGC-UHFFFAOYSA-N 255.317 3.932 30 20 CHED C=CCNC(=S)Nc1ccc2nc(C(C)C)sc2c1 921142679 LFLFDNQWGDFZHG-UHFFFAOYSA-N 291.445 3.892 30 20 CHED COc1ccc(CC[C@H](C)N[C@@H](C)CC(C)(C)C#N)cc1 924855810 SXCQWGUKNKRMFV-GJZGRUSLSA-N 288.435 3.934 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1COC(C)(C)C 928390905 XVXGIFCRVWYIPK-UHFFFAOYSA-N 273.376 3.600 30 20 CHED N#CC1(CCCCN2CCc3c(O)cccc3C2)CCC1 931262532 XAECABVRZUGVCT-UHFFFAOYSA-N 284.403 3.614 30 20 CHED C=C[C@H](CC)CC(=O)N(CC)[C@@H](CC)c1ccncc1 933345560 ROFVENNYWKRXLB-ZBFHGGJFSA-N 274.408 3.984 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(OC(F)F)cc1F 935854801 HRJUIQOQTOIRHV-VIFPVBQESA-N 287.281 3.968 30 20 CHED CCOCc1ccc(Nc2nc(Cl)c(C#N)s2)cc1 1117295950 KHQZARQMOOYJBN-UHFFFAOYSA-N 293.779 3.948 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 1124359523 MUSJLPLCVYIJTC-GXFFZTMASA-N 276.767 3.976 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc3ccncc23)c1 1129809642 RSZUPYGIQYDLIU-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1sccc1NC(=O)CSc1ccc(C#N)cc1 1132349963 FRGPOJPHMDOXQU-UHFFFAOYSA-N 288.397 3.659 30 20 CHED C[C@@H](Cc1ccccc1Cl)NCCc1ccc(C#N)cc1 1170250128 GDRJYUZOJKJPHF-AWEZNQCLSA-N 298.817 3.975 30 20 CHED CCc1ccc([C@@H]2CCN(c3cc(C)ncc3C#N)C2)cc1 1186585615 OKCXGLJQYKVHET-QGZVFWFLSA-N 291.398 3.818 30 20 CHED Cc1csc(NC(=O)NC[C@@H]2CCCC[C@H]2C)c1C#N 1204889500 RDYUMQPCFGPONO-PWSUYJOCSA-N 291.420 3.876 30 20 CHED CC[C@@H]1CCC[C@@H]1CNCc1cccc(F)c1C#N 1205858959 FZSRHRBKONNKRF-CHWSQXEVSA-N 260.356 3.613 30 20 CHED Cc1c(C)c(C)c(CN2CCC[C@@H](C#N)C2)c(C)c1C 1231494368 MTPQKGKSPHETDJ-KRWDZBQOSA-N 270.420 3.964 30 20 CHED C[C@@H]1C[C@H](OC(=O)CC(C)(C)C#N)CC(C)(C)C1 1287290370 QPSLSMPPYBCWBT-NEPJUHHUSA-N 251.370 3.684 30 20 CHED CN1CCC[C@H]1CCSc1ccc(Cl)cc1C#N 1307310205 JDLSNMOPEXHHLA-ZDUSSCGKSA-N 280.824 3.788 30 20 CHED C=C(Cl)CNC(=O)NCc1ccc(C(C)(C)CC)cc1 1312344095 QFDWBSZIKMFVGN-UHFFFAOYSA-N 294.826 3.926 30 20 CHED C(=NN[C@H]1CCCOC1)c1ccc(-c2ccccc2)s1 1320493460 CSZWOXZOEYCNEE-AWEZNQCLSA-N 286.400 3.518 30 20 CHED C=CCCC[C@@H](C)N[C@H](C(=O)OC)c1ccccc1Cl 1320649230 OOGJYJTYQQSOAI-DOMZBBRYSA-N 295.810 3.889 30 20 CHED N#Cc1ccc(CNCc2cccc(C(F)F)c2)c(F)c1 1321544596 NJBINZOMDSCVSW-UHFFFAOYSA-N 290.288 3.925 30 20 CHED CC(C)(CNc1cccc(CC#N)n1)C1=CCCC1 1328650108 WCXLFIKMSIQDMO-UHFFFAOYSA-N 255.365 3.696 30 20 CHED C=CCC[C@@H](C)OC(=O)c1nc(C)ccc1Br 1343420772 HPQYESZIFDWFGQ-SNVBAGLBSA-N 298.180 3.664 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 1345619413 SGUYAYZWQBHTAV-CQSZACIVSA-N 289.423 3.560 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)c1cccc(OC)c1 1350087888 PFARSULEELTSEY-UHFFFAOYSA-N 294.354 3.542 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@H]1c1ccccc1 1354464375 NBHLRRAQLOQCAM-SFHVURJKSA-N 290.366 3.844 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N(C)c1ncc(C#N)cc1F 1458100737 WEVRDYVYWXCWNX-SECBINFHSA-N 291.276 3.568 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)Nc1cc(F)cc(C#N)c1 1462501325 CRQAWNLNQLFTRP-PXAZEXFGSA-N 284.334 3.885 30 20 CHED CCCOc1ccnc(Oc2cc(C)c(C#N)c(C)c2C)n1 1472779525 QRABYOBBGYMUMS-UHFFFAOYSA-N 297.358 3.855 30 20 CHED CC1(C)CCC[C@H](CNc2ncc(C#N)cc2F)C1 1472807756 UKLRFSVQSOMPSZ-NSHDSACASA-N 261.344 3.721 30 20 CHED C[C@@H]1OCC[C@@H]1CSc1ccc(C#N)cc1Cl 1473005362 LPCSXCBKMBJQBD-GXSJLCMTSA-N 267.781 3.729 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](CC#N)c2ccco2)cn1 1520417681 JPZUACMIQDVRMY-OAHLLOKOSA-N 284.315 3.610 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1ccccc1Cl 1521705270 ZYNDKXQZWVQKKS-UHFFFAOYSA-N 298.729 3.667 30 20 CHED C[C@H]1C[C@@H](NCc2cccc(F)c2C#N)CC[C@H]1C 1560743029 WPJZISNRDKSRQM-DYEKYZERSA-N 260.356 3.612 30 20 CHED CC(=O)c1ccc(C(=O)Nc2cc(C)cc(C#N)c2)cc1C 1583759478 ABPFMVABLQPNRW-UHFFFAOYSA-N 292.338 3.630 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](CC(C)(C)C)C(=O)O 1588798384 CSSWCGVFZNQMCR-ZIAGYGMSSA-N 269.429 3.990 30 20 CHED CC1(C)CCC[C@@H]1NN=C1CCC[C@H](CCCC(=O)O)C1 1604531969 KNXHPRADVUOMER-HIFRSBDPSA-N 294.439 3.956 30 20 CHED CC(C)CN(CCC#N)C(=O)OCC1CCCCC1 1621752920 XZPYKWXWJLIGHO-UHFFFAOYSA-N 266.385 3.575 30 20 CHED N#Cc1cc(Cl)ccc1SC[C@H]1CCC[C@@H](O)C1 1652691448 DBZXNYKZKPGMHY-GXFFZTMASA-N 281.808 3.855 30 20 CHED Cc1ccc(CN(CC(C)C)c2ccc(C#N)nn2)c(C)c1 1655598525 QEELOKHMSBUWRS-UHFFFAOYSA-N 294.402 3.628 30 20 CHED Cc1cc(CN[C@H]2CCC[C@H](C)CC2)ccc1C#N 1662242072 NMPDWCHNBYOLRS-GUYCJALGSA-N 256.393 3.925 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1ccc(C(=O)O)c(F)c1 1776074424 ZNYUPPIYNWEZTM-SNVBAGLBSA-N 298.317 3.532 30 20 CHED CCCCCCCCCN(C)c1ncccc1C(=O)O 1776785402 SKMPHSHJKVFYLA-UHFFFAOYSA-N 278.396 3.967 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cc(C(=O)O)c(Cl)s1 1777476628 HBGSAIBKRANORU-NSCUHMNNSA-N 296.731 3.897 30 20 CHED CC#CCCCC(=O)Nc1cccc(Br)c1 6262169 YJAAMGQNOGNCKH-UHFFFAOYSA-N 280.165 3.581 30 20 CHED CCSc1ccc(CC(=O)Nc2ccccc2C#N)cc1 9596764 QAWPXSDCIHKMHQ-UHFFFAOYSA-N 296.395 3.851 30 20 CHED CCc1sc(C(=O)OCc2cccc(C#N)c2)cc1C 13105591 FZCCUMBOKICPDV-UHFFFAOYSA-N 285.368 3.848 30 20 CHED CCOc1ccc(CNc2ccccc2C#N)cc1OC 20090041 ONUPEBSYGRGZFY-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C[C@H](Nc1ncnc2ccsc12)c1ccc(C#N)cc1 29588821 BAVDEPWPVXPDNI-JTQLQIEISA-N 280.356 3.736 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCCc3ccccc32)c1 35181254 RLRGRLBFJDTKHT-SFHVURJKSA-N 280.346 3.865 30 20 CHED Cc1ccc(NC(=O)Nc2cccc(OCC#N)c2)cc1 35282871 SMSIVSXVDYSLSN-UHFFFAOYSA-N 281.315 3.541 30 20 CHED N#Cc1ccc(OCCN(Cc2ccccc2)C2CC2)cc1 43643176 LWKCZHXGOSYHLH-UHFFFAOYSA-N 292.382 3.602 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)c1ncccc1C#N 48565588 BDKGGIOZNNGJPR-UHFFFAOYSA-N 292.169 3.896 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CCc3c(Cl)cccc32)c1 55711983 DXTZPMJPZFEMJA-MRXNPFEDSA-N 296.757 3.629 30 20 CHED CCOc1cccc(/C=N/CCCOC2CCCC2)c1O 57752465 KILYNBKVBAKFRO-QGOAFFKASA-N 291.391 3.559 30 20 CHED N#CCCSCC(=O)Nc1ccc(Cl)c(Cl)c1 58256362 NOIXKXPEXWAKFS-UHFFFAOYSA-N 289.187 3.579 30 20 CHED Cc1ccc([C@H](C)N(C)CCOc2ccc(C#N)cc2)cc1 61255990 LVZYWSLGXPYNKI-INIZCTEOSA-N 294.398 3.939 30 20 CHED N#Cc1ccc(Cl)cc1N[C@@H]1CCCSC1 61574620 CPAYVEBJNMAZFT-LLVKDONJSA-N 252.770 3.519 30 20 CHED C[C@@H](c1ccc2ccccc2c1)N(CC#N)C1CC1 63577420 OCYBEDIIYCTEDU-ZDUSSCGKSA-N 250.345 3.889 30 20 CHED CCCN(C)c1ccc(C(=O)Nc2sccc2C#N)cc1 63891567 XKZJBFOJTLDOGI-UHFFFAOYSA-N 299.399 3.718 30 20 CHED Cc1cc(Oc2ncc([N+](=O)[O-])cc2C#N)ccc1Cl 70789791 PSWXKHVRDKIVJV-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C[C@@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1cccc(C#N)c1 74918619 XJKIPRIXMNWZKC-KMFMINBZSA-N 297.402 3.593 30 20 CHED Cc1ccccc1[C@H]1CCCN1CCCSCC#N 74981992 XUMLHESTUZIYPV-MRXNPFEDSA-N 274.433 3.779 30 20 CHED C=CCNC(=O)c1ccccc1NCc1cccc(C)c1 78719269 ZADNJCIUMHDOEZ-UHFFFAOYSA-N 280.371 3.523 30 20 CHED Cc1cc2occ(CC(=O)O[C@H](C#N)C(C)C)c2cc1C 80383931 HQIRLNGJZOGYPJ-MRXNPFEDSA-N 285.343 3.684 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1)c1cccs1 83601840 NQIMLHKIDNUPTJ-UHFFFAOYSA-N 270.401 3.687 30 20 CHED CC(C)[C@H](CNC(=O)c1cc(C#N)cs1)c1ccccc1 84077946 IAAPTCSZOUQFNH-HNNXBMFYSA-N 298.411 3.789 30 20 CHED N#Cc1ccnc(SCc2ccc(F)cc2F)c1 84840709 CQFVDYNGNSXYBM-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1 86284104 CRVWFZZXMFUEPM-STQMWFEESA-N 289.379 3.630 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 88305084 DGOSNIGHGCGQSF-OWOJBTEDSA-N 295.266 3.831 30 20 CHED N#CCN1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 88602195 ZRSTVXPEGIQBPW-QGZVFWFLSA-N 282.774 3.963 30 20 CHED CC[C@@H](CC(=O)[C@H](C#N)c1ccccn1)c1ccccc1 103638081 HWNYRWYVSKDFCH-GOEBONIOSA-N 278.355 3.842 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CC1CC1 112752179 PRFYJINZWZKAEM-AWEZNQCLSA-N 299.418 3.667 30 20 CHED C[C@@]1(c2ccccc2)CCCN(C(=O)C2(C#N)CCCC2)C1 113215940 CUHZLQAIIZLPRD-GOSISDBHSA-N 296.414 3.651 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 116941782 FBBOYYIAINRSMC-QWRGUYRKSA-N 298.333 3.613 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1OC 116973443 KVKCZXKJAPCVEV-DZGCQCFKSA-N 288.391 3.506 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(Br)cc1C 116998024 MBNUHTXHEDNOGC-SNVBAGLBSA-N 297.196 3.844 30 20 CHED CCN(CC#N)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 118979501 SACXLPIQONUNPT-UHFFFAOYSA-N 289.766 3.649 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccncc1 120661335 FTNIILMJAOEYJU-LLVKDONJSA-N 299.761 3.739 30 20 CHED Cc1oc2ccccc2c1CNCc1cccc(C#N)c1 121271062 FKYRFJSVNWLMDY-UHFFFAOYSA-N 276.339 3.903 30 20 CHED Cc1ccsc1[C@@H](Cc1ccccc1)N[C@H](C)C#N 122763876 CIQBACXGVBNPPF-UKRRQHHQSA-N 270.401 3.842 30 20 CHED N#Cc1ccc(CNc2cnn(-c3ccccc3Cl)c2)o1 124529528 VGRLJDGXOJYKCW-UHFFFAOYSA-N 298.733 3.602 30 20 CHED C[C@@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H]1C 129761315 DZHBFPVBXJUNOO-VYDXJSESSA-N 299.418 3.719 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H](CC)C2)c1 132467100 ZPKPLTRSCFDDKV-ZDUSSCGKSA-N 274.364 3.515 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 151053612 PJYDUGBIYUPRBL-MAUKXSAKSA-N 299.414 3.743 30 20 CHED C=CCN(C)C(=O)NCc1ccccc1Oc1ccccc1 154267272 WJIJAGVZMOMPHS-UHFFFAOYSA-N 296.370 3.806 30 20 CHED CCC1(CNC(=O)C2(C#N)CCCCC2)CCCC1 154665482 HAJSSINDUJXHPI-UHFFFAOYSA-N 262.397 3.547 30 20 CHED C=C(C)COCCN[C@@H]1CC[C@@H](C)c2ccccc21 163518665 HJQVFIFJWAAENF-RHSMWYFYSA-N 259.393 3.807 30 20 CHED CCC(CC)CN[C@H](C)c1ccc(OCC#N)cc1 164517812 SSOHHCIBQDPJSW-CYBMUJFWSA-N 260.381 3.676 30 20 CHED Cc1ccc(C)c(OC2CCN(CCCCC#N)CC2)c1 171034337 HQVKCQRZRHISJE-UHFFFAOYSA-N 286.419 3.841 30 20 CHED C#CCCCNC(=O)N(CC=C)Cc1ccc(Cl)s1 173327431 FZESLNQJVZAOPA-UHFFFAOYSA-N 296.823 3.513 30 20 CHED Cc1nnc([C@@H](C)O/N=C/c2ccc(C(C)C)cc2)o1 174089399 CDDGMHOACLRZHM-LKBVRNOZSA-N 273.336 3.613 30 20 CHED C=CCCCC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 175206600 WKLVYSWXODTPKB-LBPRGKRZSA-N 289.375 3.704 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](CC)c1ccncc1 175305882 JLDGICANGNRDHX-MRXNPFEDSA-N 289.423 3.921 30 20 CHED C=CCCCCCN(C)Cc1cnc(Cl)s1 175452174 JTGVHKQAYQRNEQ-UHFFFAOYSA-N 258.818 3.975 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC2CCC2)c(F)c1 175484577 IPLKXXKQGVZCJU-NSHDSACASA-N 292.354 3.843 30 20 CHED C=CCOc1ccc(Oc2nc(C)ccc2[N+](=O)[O-])cc1 178242463 NBJZVRPGKCOOOR-UHFFFAOYSA-N 286.287 3.655 30 20 CHED C=CCCCN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 179771422 IXNPOKKDZHPBJZ-CYBMUJFWSA-N 272.392 3.652 30 20 CHED Cc1cccc(OCCN(C)CC(C)(C)CCC#N)c1 179772368 WYORJYZOYMVVLU-UHFFFAOYSA-N 274.408 3.636 30 20 CHED C=C[C@H](CC(=O)Nc1ccccc1C#N)c1ccccc1 179877461 CQXUPLPYTUOHKD-CQSZACIVSA-N 276.339 3.857 30 20 CHED Cc1ccc(C)c(C(=O)CCC(=O)O[C@@H]2CC[C@H](C#N)C2)c1 179920697 HPIUJFNANDCJJS-LSDHHAIUSA-N 299.370 3.502 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)c1ccc(F)cc1 181109507 IKIJXEUIOIGVIN-LBPRGKRZSA-N 264.344 3.716 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](C)[C@@H]1C 181381456 GHEYPTBLKUNMKZ-IHRRRGAJSA-N 252.402 3.561 30 20 CHED CCC(CC)[C@H](NC(=O)NC[C@@H](C)C#N)c1ccccc1 182564905 UQTSRNVZEPMXNE-BBRMVZONSA-N 287.407 3.623 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1c[nH]c2ccccc12 182628331 DRCMLSZNECRPTG-CQSZACIVSA-N 284.403 3.962 30 20 CHED Cc1cc(C)cc([C@@H](C)NCCCSCC#N)c1 182944835 KCGWVWQRQBEHPZ-CQSZACIVSA-N 262.422 3.601 30 20 CHED C[C@H](Nc1cnn(-c2ccccc2)c1)c1cccc(C#N)c1 183384151 QFJFVKKJCGZUBO-AWEZNQCLSA-N 288.354 3.917 30 20 CHED CCO[C@H](CCN[C@@H]1CCC[C@H](C#N)C1)C1CCCC1 185851947 NNOMOHCHVKPLLL-USXIJHARSA-N 278.440 3.644 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H]1CCC[C@H]1C 185997981 OPBURPZRIZKKLO-HZSPNIEDSA-N 286.375 3.742 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(F)c(F)c1 186053641 DEXVDTRRWCMRGK-DVOMOZLQSA-N 291.341 3.744 30 20 CHED C=CCC1(C(=O)Nc2ccc(NC(=O)CC)cc2)CCC1 188828890 PYIGTAIMIYOGGO-UHFFFAOYSA-N 286.375 3.720 30 20 CHED C[C@H](Sc1nnc2n1CCCCC2)c1cccc(C#N)c1 189785190 FTMVCRPDOPSWLZ-LBPRGKRZSA-N 298.415 3.729 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cccc(F)c2F)CCC1 189904777 LQRUCOOKHPCTHD-NSHDSACASA-N 279.330 3.888 30 20 CHED C#C[C@@H](C)NC(=O)N(c1ccccc1)c1ccccc1 193510879 JJQUCOOPMHSKEH-CQSZACIVSA-N 264.328 3.556 30 20 CHED C=CCN(C)[C@H](C)c1ccc(Br)cc1 194971034 MEXXADSNZOJERX-SNVBAGLBSA-N 254.171 3.628 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1C 207517618 WANUMXQFCLDTFX-UITAMQMPSA-N 277.323 3.771 30 20 CHED C#CCCCNCc1ccc(SC(F)(F)F)cc1 230705904 GIPJSADDNRAZBA-UHFFFAOYSA-N 273.323 3.802 30 20 CHED Cc1ccc2c(CCNCc3cccc(C#N)c3)c[nH]c2c1 237885308 FWDKJSIARMIQLE-UHFFFAOYSA-N 289.382 3.680 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(COC)cc2)c1O 255132099 KSFCENBXCNCSCA-UNOMPAQXSA-N 299.370 3.556 30 20 CHED COc1cccc(C=Nc2ccc(OC(F)F)cc2)c1O 255199045 NASCEIIESMYPKL-UHFFFAOYSA-N 293.269 3.753 30 20 CHED COc1cccc2cc(C(=O)/C=C\c3c(C)noc3C)oc12 255593322 VWXISQNORPPIMV-FPLPWBNLSA-N 297.310 3.942 30 20 CHED N#CCCCCN1CCC(Cc2ccc(F)cc2)CC1 263796317 IYEYQELIYIPPFM-UHFFFAOYSA-N 274.383 3.774 30 20 CHED C=C1CCN(C(=O)CCc2ccc(Cl)s2)CC1 264523131 VUOVBHWYGOMSFG-UHFFFAOYSA-N 269.797 3.513 30 20 CHED C=C1CCN(Cc2ncc(-c3ccc(C)cc3)o2)CC1 266534252 NBXVGXKKXYTFJZ-UHFFFAOYSA-N 268.360 3.802 30 20 CHED C=CCCC(=O)Nc1ccc(F)cc1OC(C)(C)C 270825685 KKYUPCJFJDJXIQ-UHFFFAOYSA-N 265.328 3.908 30 20 CHED C[C@H](N[C@H](C)CCc1ccco1)c1ccc(C#N)c(F)c1 271969661 WLZGPBKMQBDLTC-OLZOCXBDSA-N 286.350 3.962 30 20 CHED Cc1cccc([C@@H]2CCN(C(=O)c3cc(C#N)cs3)C2)c1 273074735 JXSKIGUESSOOCV-OAHLLOKOSA-N 296.395 3.558 30 20 CHED CC[C@@H](CC#N)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 273811082 AVLMRAFGVMUGOX-QMMMGPOBSA-N 287.241 3.718 30 20 CHED CC(C)Oc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 274636403 QAQZRPXAHYXLDW-OFQRWUPVSA-N 272.392 3.817 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)C(C)(C)c1ccccc1 274646779 SEDQYPOOQPSYAP-DZKIICNBSA-N 256.393 3.635 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cncs2)cs1 276363542 PXKJUEXJEIICFA-ONEGZZNKSA-N 264.375 3.619 30 20 CHED CC(C)(C#N)CCCC[S@](=O)Cc1ccc(F)c(F)c1 277503168 BJFPGUNNIHUTTQ-FQEVSTJZSA-N 299.386 3.934 30 20 CHED C=C1CCN(Cc2cnc(-c3ccco3)s2)CC1 278403854 GCMBRCUDLGFIDV-UHFFFAOYSA-N 260.362 3.555 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CC(C)(C)C#N)C1 279249803 LDJJJCKNINEEMO-SWLSCSKDSA-N 288.366 3.675 30 20 CHED COc1cc(NCc2ccc(C#N)s2)c(C)cc1C 280418545 YYVNDDAGTJKPKA-UHFFFAOYSA-N 272.373 3.857 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC/C(C)=C/c1ccccc1 280553067 FBNCFPACZJRZIN-CJOJLPBESA-N 271.404 3.661 30 20 CHED Cc1cc(F)ccc1OCCCC1(C#N)CCOCC1 281399239 QJAWAZZDNHOWHX-UHFFFAOYSA-N 277.339 3.614 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 282354947 PKQMAUXZQOSQBI-WDMOLILDSA-N 293.208 3.792 30 20 CHED C=CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccco1 285537216 BYCCPXQTQKEZTA-OAHLLOKOSA-N 286.331 3.985 30 20 CHED CCC(CC)N(CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 289753342 QBDLVHKNHAAYEX-ZDUSSCGKSA-N 287.407 3.839 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)[C@H]1OCCc2sccc21 292267798 LIIBWZUSLJIBDB-BDJLRTHQSA-N 284.384 3.734 30 20 CHED C=CCC[C@@H](NC(=O)c1nc(C)oc1C)c1ccccc1 293696744 MDBLVJNMHRBYCA-OAHLLOKOSA-N 284.359 3.729 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl 294063387 BDKCNEQEDNJOOD-UHFFFAOYSA-N 296.754 3.580 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c1 294619436 NMBHZGAKSVZHTE-DNVCBOLYSA-N 296.414 3.955 30 20 CHED C=CC(C)(C)C(=O)NCc1ccccc1N1CCCCC1 295048436 OLCNKRBRZPTQSR-UHFFFAOYSA-N 286.419 3.505 30 20 CHED C[C@H](CNc1ccc(C#N)cc1)COCc1ccccc1 301108259 RJBTZXGXERPUTN-OAHLLOKOSA-N 280.371 3.823 30 20 CHED CN(CCCc1ccccc1)c1ccc(C#N)cc1[N+](=O)[O-] 301124312 YXWZEDOHLUGTPQ-UHFFFAOYSA-N 295.342 3.535 30 20 CHED COc1ccc(CNc2c(Cl)cccc2C#N)cc1 301161998 CEIPWHCQWBNWLN-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@H]1[C@H](C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 301506280 ZZMLYIKYFDFARR-ZJUUUORDSA-N 268.282 3.812 30 20 CHED C[C@@H]1CCN(c2ccc(C#N)cc2Br)[C@@H]1C 301883714 XZNNGZMPAPJJRE-NXEZZACHSA-N 279.181 3.555 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CCCC[C@H]2C)c1 302043415 SKTJOZGDJXEXPL-IAQYHMDHSA-N 256.349 3.751 30 20 CHED CC(C)(CNc1nc2ccccn2c1C#N)c1ccccc1 302116735 WLQFRTXGCWHBOQ-UHFFFAOYSA-N 290.370 3.596 30 20 CHED C[C@H](CCNc1ccc(C#N)c(Cl)c1)N1CCCCC1 302182837 SJLHTIZCMINPNI-CYBMUJFWSA-N 291.826 3.888 30 20 CHED C[C@@]1(Cc2ccccc2)CCCN1c1ccc(C#N)cn1 302221486 NXIDIRLIGZILRC-SFHVURJKSA-N 277.371 3.555 30 20 CHED CCCCCCCCCC/N=C(\N)N(C)C1CC1 305833239 VLPOOYNHNUHOED-UHFFFAOYSA-N 253.434 3.536 30 20 CHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Br)s1 309839331 CJDDFKAHRFDPLT-BBBLOLIVSA-N 299.237 3.853 30 20 CHED C=CCCN[C@H](C)c1ccc(OC)cc1Br 309854083 JTHMXNLRJISMBQ-SNVBAGLBSA-N 284.197 3.684 30 20 CHED C[C@H](C#N)OCCNc1ccccc1Cc1ccccc1 314223128 PEAZTICDVVSHKV-OAHLLOKOSA-N 280.371 3.618 30 20 CHED N#Cc1ccc(COc2cccc3c2CCCC3=O)c(F)c1 316048659 WXQMFZFHLPCZRA-UHFFFAOYSA-N 295.313 3.795 30 20 CHED CC(C)(C)c1ncc(N=C(O)C2CCSCC2)cn1 329460536 SELOWRQKKORVDL-UHFFFAOYSA-N 279.409 3.505 30 20 CHED Cc1ccc(N=C(O)[C@H]2CCCSC2)c2[nH]ncc12 329540656 WTZWZIVOCNSIEN-JTQLQIEISA-N 275.377 3.603 30 20 CHED C[C@@H]1OCC[C@@]1(C)/N=C(/O)CCc1ccc2[nH]ccc2c1 329685434 ZYMJFHCIYGXRMO-YVEFUNNKSA-N 286.375 3.625 30 20 CHED OC(=Nc1ccc(C(F)(F)F)nc1)[C@H]1CCCOCC1 330139070 OQVPKWNMDAVITA-VIFPVBQESA-N 288.269 3.505 30 20 CHED C[C@@H](CC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 330424222 UKZNTPHPRGEDSS-AWEZNQCLSA-N 284.403 3.781 30 20 CHED CCc1ccc(CC)c(N/C(O)=N/[C@@H]2CC[C@@H](OC)C2)c1 330984299 IDRSCDDDCNFLDT-HUUCEWRRSA-N 290.407 3.705 30 20 CHED Cc1cc(F)ccc1N/C(O)=N/C1(CCO)CCCCC1 331063799 OQWCGDFZEZLYFC-UHFFFAOYSA-N 294.370 3.545 30 20 CHED Cc1nc(C(C)(C)C)sc1/C(O)=N/C[C@]1(C)CCCO1 331329865 SFLMEVALFTYASE-HNNXBMFYSA-N 296.436 3.623 30 20 CHED CCC1(CC)CCCN(C(=O)c2cc(C)c(C#N)cn2)CC1 332215424 IHQAJFQAECOFQF-UHFFFAOYSA-N 299.418 3.694 30 20 CHED Cc1ccc(NC2CCC(C)(C#N)CC2)cc1C(=N)O 335207576 ADULBTLSIDSDCK-UHFFFAOYSA-N 271.364 3.763 30 20 CHED Cc1cc(Br)c(CN[C@@H]2CC[C@H](C#N)C2)s1 335562762 UUUSFXGKWKIAPE-VHSXEESVSA-N 299.237 3.601 30 20 CHED C[C@@H](NCCC#N)c1cccc(NC(=O)c2ccccc2)c1 338400113 QVCXFWBNFQOVMS-CQSZACIVSA-N 293.370 3.503 30 20 CHED C=CCCN1CCC2(CC1)CCN(Cc1ccccc1)C2 338566433 IJHZSTGGJNZYLK-UHFFFAOYSA-N 284.447 3.551 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1sc(C)c(C)c1C#N)OCC 339584254 FEPKPUGCLOLHEO-CYBMUJFWSA-N 292.404 3.546 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCc2cccc(C)c21)OCC 339606613 IGQYYBMKJXDPQV-MRXNPFEDSA-N 287.403 3.646 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)c1ccc(OC(F)F)cc1 339972238 FWQAHFPGUKLWDO-JTQLQIEISA-N 289.285 3.728 30 20 CHED CN(Cc1cc2ccccc2o1)c1nccc(C#N)c1Cl 342794061 XEXJBPHBNFKBDC-UHFFFAOYSA-N 297.745 3.989 30 20 CHED CCC(CC)CN(CCC#N)c1nccc(C#N)c1Cl 342802519 NHNPLSIGAUFNLM-UHFFFAOYSA-N 290.798 3.763 30 20 CHED COc1ccc(Nc2nc(C)ccc2C#N)cc1OC(C)C 342838116 GERHWEIGPCZBCO-UHFFFAOYSA-N 297.358 3.801 30 20 CHED C[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 343677159 CMOALZZYMAPXJK-CQSZACIVSA-N 250.345 3.603 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C1 345103382 LWCASTLYTQAXDV-NXEZZACHSA-N 262.740 3.586 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(-c2nc(C)co2)ccc1C 347410686 CEXHRFYZNKQLNI-NSHDSACASA-N 285.347 3.654 30 20 CHED CSc1ccc(/C=C/c2ccncc2C#N)cc1 347428756 JQWYZIHKJILXHZ-GORDUTHDSA-N 252.342 3.846 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccccc1Cl 348150794 GDDKWPYMCCSYMN-UHFFFAOYSA-N 279.771 3.791 30 20 CHED CC(C)(CCC#N)CN[C@H](c1cccnc1)C1CCC1 348206876 MOBBSCDBINMCMN-INIZCTEOSA-N 271.408 3.842 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(CCC)no1 348230417 OKBBDLGNUIEZMP-UHFFFAOYSA-N 285.391 3.600 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C)no1 348881953 JZPOFLIXOVHFHJ-UHFFFAOYSA-N 284.237 3.629 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(-c2ccccn2)cc1 353963388 OZSGSIBYCODEBH-AWEZNQCLSA-N 294.358 3.562 30 20 CHED N#Cc1cc(F)c(NCCSCC(F)(F)F)c(F)c1 354885152 MESKBJWVFQEAIE-UHFFFAOYSA-N 296.264 3.544 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)c3cn[nH]c23)CCC1 359444428 UOIJSLPVUORQLT-UHFFFAOYSA-N 269.348 3.556 30 20 CHED N#CCCCC(=O)N1CCC[C@H]1CC1CCCCC1 360155941 NKZMUHTVHCDWGZ-HNNXBMFYSA-N 262.397 3.642 30 20 CHED N#CCCCC(=O)Nc1ccc(CNc2ccccc2)cc1 360344241 KKMJRTYTSRWMCE-UHFFFAOYSA-N 293.370 3.931 30 20 CHED CC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCCO1 360650600 YWFYTCLRMLXBAB-GBESFXJTSA-N 298.430 3.873 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(-c2nccs2)cc1 362631420 PPLTZSVZDXAMBZ-SNVBAGLBSA-N 273.361 3.506 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)C[C@H]1c1cccc(OC)c1 369907612 FEJQIGBAYXLZAS-QAPCUYQASA-N 299.414 3.798 30 20 CHED N#Cc1csc(CNC[C@@H]2CCCCC2(F)F)c1 390890866 YIAVROQLYYHKJM-NSHDSACASA-N 270.348 3.535 30 20 CHED C=CC[C@H](C)NCc1cccc(Br)c1F 395016230 OFJSTFDIPCMTBK-VIFPVBQESA-N 272.161 3.642 30 20 CHED C[C@@H](NCC=C(Cl)Cl)c1cccc(C#N)c1 407273743 WPIBVCLCOYURHL-SECBINFHSA-N 255.148 3.528 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)SCc1ccccc1 410131967 SCNJVXMCEZSDGZ-UKRRQHHQSA-N 277.433 3.779 30 20 CHED C[C@H](NCCC1(C#N)CCCCC1)c1nccs1 411885271 QJNLSBNHEIYXLP-LBPRGKRZSA-N 263.410 3.658 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCC1CCC1 412811755 CUJZSVCWERMWES-KRWDZBQOSA-N 271.404 3.870 30 20 CHED C=CCC[C@H](CCC)NC1CCC(COC)CC1 414311287 MHKNDQQFAPTVLX-PCKAHOCUSA-N 253.430 3.916 30 20 CHED CC(C)OC1CC(SCc2ccc(F)cc2C#N)C1 419406557 VFFUUCQXCCHOCE-UHFFFAOYSA-N 279.380 3.887 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1C 424632992 YNTAWKPBEAJJNK-SMDDNHRTSA-N 256.349 3.632 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc(C2CCC2)s1 426549683 SZLPCTCQPLSAMT-ZDUSSCGKSA-N 262.422 3.951 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C#N)CCc1ccccc1 433236578 ZCOQVKOVIFUPJG-NXHRZFHOSA-N 298.430 3.796 30 20 CHED Cc1cc(CNCc2nc(C(C)(C)C)cs2)ccc1C#N 443957461 CONZSJLMXYTMLN-UHFFFAOYSA-N 299.443 3.911 30 20 CHED C=C(C)CCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 448551004 PPVCMRSNRYVFPN-GOEBONIOSA-N 259.393 3.899 30 20 CHED C=CCC1(C(=O)NCc2sccc2C)CCCC1 449799711 ABGKFXWULPDHJH-UHFFFAOYSA-N 263.406 3.809 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](CCC)OC)c1ccccc1 450180544 JQQDCDZCQDMYAX-HZPDHXFCSA-N 275.392 3.625 30 20 CHED COc1cccc([C@H]2CCCN2CC2(C#N)CCC2)c1 450219809 XCGYXBWIILRRLO-MRXNPFEDSA-N 270.376 3.526 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(-c3cnn(C)c3)o2)n1 453184843 ISUKSYHHDHBGPI-UHFFFAOYSA-N 298.346 3.584 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc([C@H](F)c2ccc(Cl)cc2)no1 453186229 TZVMFONTPVADJZ-XPLICSAQSA-N 291.713 3.583 30 20 CHED C=CC(C)(C)CN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C 453310499 RIKHZPZJXNUUTJ-CQSZACIVSA-N 298.434 3.747 30 20 CHED COc1ccsc1[C@H](C)NCc1ccc(C#N)c(F)c1 453388718 QWLVSGLRFLIPNP-JTQLQIEISA-N 290.363 3.618 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NCc1ccc(C#N)c(F)c1 456828912 DXKMXKFUYQCLOQ-LBPRGKRZSA-N 290.382 3.776 30 20 CHED C=CCCCC(=O)N[C@@](C)(Cc1ccccc1)C1CC1 457044945 NQEQJDCZSJDYQE-SFHVURJKSA-N 271.404 3.870 30 20 CHED CCCN(CC#N)Cc1c(F)cc(C)cc1Cl 459333000 XUZAZIZWJGVVTL-UHFFFAOYSA-N 254.736 3.523 30 20 CHED C=CCC[C@@H](CC)NC[C@@H]1CCN(c2ccccc2F)C1 462820786 ZDFLWGCZBZIBFJ-JKSUJKDBSA-N 290.426 3.986 30 20 CHED N#Cc1cccc(CNCCC2=CCCCCC2)c1 463711272 QPSHICJRIGCQEE-UHFFFAOYSA-N 254.377 3.928 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)N[C@@H](C#N)C(C)(C)C 464716176 ZQUKSWZKQSQHKL-CABCVRRESA-N 278.440 3.893 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(OCCCCC)cc1 465102690 MPRYUMNJFLZHFS-ZDUSSCGKSA-N 261.365 3.560 30 20 CHED C=CC[C@H](CC)NC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 466377833 WNLJODCQADOZBX-MJBXVCDLSA-N 266.429 3.950 30 20 CHED C=CC[C@H](CC)NC(=O)NC(C)(C)c1cccc(F)c1 466387861 VSXHIWPIEACUOR-AWEZNQCLSA-N 278.371 3.715 30 20 CHED C=CCCCC(=O)NCC1(Cc2ccccc2)CCC1 466644875 YWGSJGCBDUQAPO-UHFFFAOYSA-N 271.404 3.872 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC1CCC1 471669298 VUXPOAURDIQFEB-UHFFFAOYSA-N 272.392 3.574 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 473572154 WRSQUMATZBVPBE-HLLBOEOZSA-N 281.440 3.546 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)C1CCC(C(F)(F)F)CC1 474893625 DRQZEWJSFANZTQ-IWMBGFJWSA-N 293.373 3.518 30 20 CHED CC(C)CN(C(=O)c1ccc(C#N)s1)C1CCCC1 475664352 OPFRHJOOLNJDLH-UHFFFAOYSA-N 276.405 3.661 30 20 CHED C[C@H](SCc1cccc(C#N)c1F)C(=O)OC(C)(C)C 479707169 TVNQQMFUHHYBKN-JTQLQIEISA-N 295.379 3.661 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(CC#N)c1ccccc1 483414968 WAXGRRAPZZQYKY-HOCLYGCPSA-N 270.376 3.760 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1sc(C(C)(C)C)nc1C 488858235 DBIBMVKNSHCTLE-LBPRGKRZSA-N 292.448 3.930 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(C#N)cc1Cl 489448386 MCPBLZLTJQFGJH-AWEZNQCLSA-N 260.768 3.752 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 489465246 SEWCFKRQHSGKTR-GFCCVEGCSA-N 264.438 3.981 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](CC)Cc1ccccc1 494885891 KOYBXVPQIQIXAF-SJORKVTESA-N 286.419 3.758 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 509978082 SABLZFPASGEQLM-IAGOWNOFSA-N 282.387 3.565 30 20 CHED C=CCN(C(=O)C(=O)c1cc(F)ccc1C)c1ccccc1 514171158 YPXOXVRJJHTCLW-UHFFFAOYSA-N 297.329 3.536 30 20 CHED CC#CCCCc1nc(-c2cccc(CSC)c2)no1 516601742 KVBZVUFZHABHBM-UHFFFAOYSA-N 286.400 3.946 30 20 CHED C=CCCCCCN(C)C(=O)CO[C@H]1CCC[C@H](C)C1 523510878 HDAVTJIZSHLXPT-HOTGVXAUSA-N 281.440 3.787 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 528866109 SLHDDFKIPFDJBV-OAHLLOKOSA-N 284.403 3.855 30 20 CHED CC1CC(C#N)(C(=O)N(C)Cc2cccc3ccccc23)C1 531554989 RAZWKCARHCXQIQ-UHFFFAOYSA-N 292.382 3.738 30 20 CHED C[C@H]1CCC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 533322770 HQBATLHIHRXORG-WMLDXEAASA-N 259.368 3.688 30 20 CHED CC1CC(C#N)(C(=O)Nc2cnc(-c3ccccc3)s2)C1 534340584 JEVLGMQJIUWJKJ-UHFFFAOYSA-N 297.383 3.688 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CCc1cc2ccccc2o1 534595976 BMMKOLJVEAKVMG-SFHVURJKSA-N 298.386 3.810 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H]2CCCC[C@H]12 536152826 VZPLLLQWSXXCPT-ZTFGCOKTSA-N 296.414 3.793 30 20 CHED FC1=CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 536994252 KYTKRWWKZGYPPJ-UHFFFAOYSA-N 283.268 3.616 30 20 CHED C=CCN(C(=O)c1ccc2nsnc2c1)c1ccccc1 537753343 SRXGKXDJRBOALR-UHFFFAOYSA-N 295.367 3.524 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(CC)ccn2)c1 540472926 QCILEFKETWMKRQ-UHFFFAOYSA-N 296.370 3.851 30 20 CHED CC(C)(C#N)CCNC1(c2ccccc2)CCCC1 540713856 XCGPVBGCKIYTTC-UHFFFAOYSA-N 256.393 3.985 30 20 CHED N#Cc1ccc(N2CCC[C@@H](c3ccc(F)cc3)CC2)cn1 540872700 BRJRNOOULJDHJB-CQSZACIVSA-N 295.361 3.866 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(C#N)c(C#N)c1 541583235 LRTIXBNPLQMDLQ-LBPRGKRZSA-N 283.375 3.831 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@@H](OC)c1ccccc1F 541778619 TUAINLGVCILHQO-HEHGZKQESA-N 265.372 3.846 30 20 CHED C=CC[C@@H](C)[C@H](C)NCCC1CCC(OC)CC1 543623793 CIRQBHVHQLNQNF-QVOMUQBLSA-N 253.430 3.772 30 20 CHED Cc1c(Cl)cnc(N(C)C2CCCCC2)c1C#N 544066590 WEZCNJNTVXGXSL-UHFFFAOYSA-N 263.772 3.684 30 20 CHED C=CC[C@H](CO)NCc1ccc(-c2ccccc2)cc1F 547406082 RLNCIALJPVDQFG-QGZVFWFLSA-N 285.362 3.519 30 20 CHED C=C(C)CCN1CCc2ccc(Br)cc2C1 551736438 FHFLMZSGXFSYJI-UHFFFAOYSA-N 280.209 3.773 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(C)c(OC(F)F)c2)n1 553438353 IYCWCUQIFLKIQL-UHFFFAOYSA-N 289.285 3.915 30 20 CHED C=CCC[C@H](C)NCCc1ccc(Cl)c(OC)c1 556258814 GMWVIWCNUXHNFK-LBPRGKRZSA-N 267.800 3.835 30 20 CHED C=C(C)CCN1CCC(Oc2ccc(OC)cc2)CC1 556813784 QIUXDDAOMFZTAL-UHFFFAOYSA-N 275.392 3.505 30 20 CHED C=CCC(C)(C)CNCCCc1ccc2c(c1)CCO2 556908093 IUHISTVTKCPPBW-UHFFFAOYSA-N 273.420 3.746 30 20 CHED CCCC1(CNC(=O)c2cc(C#N)ccc2Cl)CCC1 556915415 QFLQTPOBMUBUEN-UHFFFAOYSA-N 290.794 3.912 30 20 CHED C[C@H]1CC[C@@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 558059801 GGUJYJXYMUSFPA-QWHCGFSZSA-N 274.339 3.509 30 20 CHED CCC(CC)NC(=O)[C@@H](C)Sc1ccc(C#N)c(C)c1 563128715 JAKGZKFLSZJIBT-GFCCVEGCSA-N 290.432 3.652 30 20 CHED CC[C@@H]1Cc2ccccc2CN1c1nccc(C#N)c1Cl 565262216 HYTJRIYZRIKEPC-OAHLLOKOSA-N 297.789 3.948 30 20 CHED C=CCOCCN(Cc1ccccn1)Cc1ccccc1C 567994643 RBPXALKOZAYACQ-UHFFFAOYSA-N 296.414 3.595 30 20 CHED N#Cc1ncccc1SC[C@@H]1CCC2(CCCC2)O1 569623850 PLECEZZMEOXKPF-LBPRGKRZSA-N 274.389 3.537 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 569638019 MMETZFLYCHGCPO-GBJTYRQASA-N 251.414 3.524 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CCC[C@@H](F)C1)CCCC2 571202705 GQBRDNPIGCLXBK-ZIAGYGMSSA-N 273.355 3.525 30 20 CHED COC(=O)c1cccc(CSCC(C)(C)C)c1C#N 571367158 HYNPZYZWSGNQRA-UHFFFAOYSA-N 277.389 3.624 30 20 CHED C=CCC(C)(C)c1noc(C2C[C@@H]3CCC[C@H](C2)C3=O)n1 580907127 CRXLTNXICJKFEP-FUNVUKJBSA-N 288.391 3.786 30 20 CHED CC[C@](C)(C#N)C(=O)NCC[C@H](C)CC(C)(C)C 581207804 VNJKGZMCNYMFBS-SWLSCSKDSA-N 252.402 3.505 30 20 CHED C[C@](C#N)(NC(=O)[C@@H]1CCCCC1(F)F)C1CCCCC1 581865145 NXMQGQXPDJPOQA-DZGCQCFKSA-N 298.377 3.791 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)c1ccccc1 583062976 HXLQOQNEFZAVGV-UHFFFAOYSA-N 265.316 3.535 30 20 CHED CCc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1F 586825851 JETXHLNABWGCRP-UHFFFAOYSA-N 296.345 3.831 30 20 CHED O=C(/C=C\c1ccc(OCC2CC2)cc1)c1ccco1 588579631 KAWZQZBMVRPLJM-YFHOEESVSA-N 268.312 3.965 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)c2ncccc12 588840912 JYGTUMHMOOGAPN-OAHLLOKOSA-N 287.750 3.767 30 20 CHED N#CCCCOc1cccc(CN2CCC(C3CC3)CC2)c1 590052374 APDIJQITOBZTJN-UHFFFAOYSA-N 298.430 3.991 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC2(CCOCC2)C[C@H]1C 592182653 NUILXTDWBWQHAS-CABCVRRESA-N 284.403 3.510 30 20 CHED Cc1noc(CCCS[C@@H](C)c2ccc(C#N)cc2)n1 592452349 KZDUTOZCVQETFH-NSHDSACASA-N 287.388 3.677 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)N(CC#N)c1ccc(Cl)cc1 592653967 XENXLECMEFABPE-GDBMZVCRSA-N 290.794 3.879 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C2CCCCC2)C2CCC2)C1 592882176 QLIIDWXXWFIIKT-CRPOECCBSA-N 288.435 3.791 30 20 CHED Cc1cc(C)cc(CN[C@H]2CCc3ccc(C#N)cc32)c1 595073701 YZQLEXLVANVTNE-IBGZPJMESA-N 276.383 3.952 30 20 CHED C[C@]1(C#N)CCCN(CC[C@H]2CCc3ccccc32)C1 595427201 SLVJEBXNUYQCGM-SJLPKXTDSA-N 268.404 3.732 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@H](CC#N)C1 595639756 BLDHEMDMGQCHEB-OAGGEKHMSA-N 291.439 3.538 30 20 CHED C=CCCSCCNC(=O)CSc1ccc(C)cc1 597974317 JDFHZPYGLCZFHM-UHFFFAOYSA-N 295.473 3.513 30 20 CHED CCCC[C@H](CC)C(=O)Nc1nc(C)cc(C)c1C#N 598851811 CJNWGFGZVACXJW-ZDUSSCGKSA-N 273.380 3.725 30 20 CHED CCc1oc2ccccc2c1CC(=O)N[C@H](C#N)CC(C)C 599272750 SAKTWSSTYGEJDE-ZDUSSCGKSA-N 298.386 3.592 30 20 CHED CCC(C#N)(CC)C(=O)NCC[C@H]1CCc2ccccc21 599975424 ATASTQAPGBDEFP-OAHLLOKOSA-N 284.403 3.553 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)CCO2 601687200 UYJRQONLAVEZEL-UHFFFAOYSA-N 299.414 3.830 30 20 CHED CCOc1cccc(OCCCC2(C#N)CCOCC2)c1 601925673 RGLZMKIXAMJNGB-UHFFFAOYSA-N 289.375 3.565 30 20 CHED C[C@H]1c2cc(F)cc(F)c2CCN1C[C@H](C)CCC#N 602483943 KJTQUWWDPOBYEX-NEPJUHHUSA-N 278.346 3.824 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCCC1CCCCC1 602510922 JTVQCQXCFMATKI-OAHLLOKOSA-N 278.440 3.645 30 20 CHED CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@H](C)CCC#N 602554579 BNAZEJKTDYUPPI-WWGRRREGSA-N 294.826 3.945 30 20 CHED N#CCC1(CN2CCC(=Cc3cccc(F)c3)CC2)CC1 602798825 XFTHDDVIZXUGGP-UHFFFAOYSA-N 284.378 3.999 30 20 CHED C[C@H](c1ccc(C(C)(C)C)cc1)n1cc(CCC#N)nn1 603217788 LSVNETDNESGFKA-CYBMUJFWSA-N 282.391 3.641 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1ccccc1SC[C@H](C)C#N 609377746 DOIJEALPMPDZKR-WOPDTQHZSA-N 274.389 3.533 30 20 CHED N#Cc1c[nH]c2c(F)ccc(F)c2c1=NC1CCCCC1 610245138 WUGBRZLEIAPPGC-UHFFFAOYSA-N 287.313 3.551 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 610650342 AOILFRHXVXKBSE-RDTXWAMCSA-N 294.398 3.998 30 20 CHED N#CCCCOc1cccc(CN[C@H]2CCC(F)(F)C2)c1 610787845 YWPUAWPQUJGDAX-AWEZNQCLSA-N 294.345 3.647 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(SC)ccc1Cl 617362292 MJFKMNOQLRWYAS-JTQLQIEISA-N 299.823 3.982 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3cc(C#N)ccc32)c(F)c1 618693341 FLWVWVYKZKGOTI-MRXNPFEDSA-N 277.302 3.668 30 20 CHED CCCC(CCC)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618783220 WGZCOUJJDFCVAN-KRWDZBQOSA-N 284.403 3.878 30 20 CHED C=CCC1(NC(=O)[C@H]2CCCCCC(=O)C2)CCCC1 619110950 RXBXORJCQHWQBQ-AWEZNQCLSA-N 277.408 3.531 30 20 CHED C=CCC1(C(=O)N2CCC([C@@H]3CCCCO3)CC2)CCC1 619162928 AJODPCHVXDMPLW-INIZCTEOSA-N 291.435 3.541 30 20 CHED C=CCN(C(=O)c1cnc(CCC)s1)C(C)(C)C 622944190 IRMOPNUNTLXSRO-UHFFFAOYSA-N 266.410 3.522 30 20 CHED C=CC[C@H](C(=O)N1CCc2ncc(C)cc21)c1ccccc1 623233169 QARYNWMQGIFJNN-INIZCTEOSA-N 292.382 3.639 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCc2ccc(C)cc21 645329126 QVUPDGPDUHSCPP-HNNXBMFYSA-N 257.377 3.701 30 20 CHED C=CCN(C)C(=O)CCc1c(Cl)cccc1Cl 653753859 ZRQLRCSRZWZBGI-UHFFFAOYSA-N 272.175 3.570 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NC1CCC(N(C)C)CC1 658039278 XQBMJAIVPBUTOF-OTBWCIGPSA-N 264.457 3.584 30 20 CHED C=C(CNC(=O)C1CCCCCC1)c1ccccc1 672481364 QZEVGSWFURHKLE-UHFFFAOYSA-N 257.377 3.786 30 20 CHED C=CCCC(C)(C)NCc1cc(C)nc(Cl)c1 717749684 QBRUNSVDTKWWDV-UHFFFAOYSA-N 252.789 3.878 30 20 CHED C#CCCCOC(=O)CSCc1cccc(Cl)c1 727040699 OCEURDNQIZREQZ-UHFFFAOYSA-N 282.792 3.530 30 20 CHED CCCCn1nc(C)c(C=NNC2CCCC2)c1Cl 727652364 OEPGOFVMYFRZEK-UHFFFAOYSA-N 282.819 3.511 30 20 CHED CC(=NNC1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 727652598 MFPDKGVROXFEAU-UHFFFAOYSA-N 281.743 3.504 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1CN1CCCCC1 727734171 HTSLCSJWRJOXTL-QGZVFWFLSA-N 294.483 3.824 30 20 CHED Cc1cc(/C=C2\Cc3c(O)cccc3C2=O)ccc1F 729148966 DHYVJBIFPNKBPH-XYOKQWHBSA-N 268.287 3.662 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc(O)cc1F 729932122 CYCYCVUNIUPAKE-UHFFFAOYSA-N 272.323 3.984 30 20 CHED C#CCN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730484745 BXPVZFFUNDAURJ-CHWSQXEVSA-N 296.197 3.579 30 20 CHED Cc1cc(NN=Cc2ccc(Cl)cc2Cl)ncn1 731934614 FIENTWXVFXMKMY-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N(CCC#N)CC(C)C 732755462 AJLIMLQFTCNFSC-QGZVFWFLSA-N 286.419 3.654 30 20 CHED C#CCOc1ccc(CN[C@@H](CC)c2ccccc2)cc1 733326197 MYEOZZTWSZXGEX-IBGZPJMESA-N 279.383 3.940 30 20 CHED CC(=NNc1ccc(Br)cc1)c1cncs1 734746425 KWHIBBFISWTHRE-UHFFFAOYSA-N 296.193 3.742 30 20 CHED C[C@H](CC(=O)OCCCCC#N)c1cccc(F)c1 734904847 OOMQLMOECYRSQJ-GFCCVEGCSA-N 263.312 3.556 30 20 CHED C=CCCCOC(=O)c1cc(Cl)c(OCC)c(OC)c1 735524163 IALXJARVGPJTOU-UHFFFAOYSA-N 298.766 3.870 30 20 CHED N#Cc1ccc([C@H](Sc2ccccc2F)C(=O)O)cc1 739117923 NQZOQKUHAGOHLQ-AWEZNQCLSA-N 287.315 3.615 30 20 CHED C#CCNC(=O)Nc1cccc(Cl)c1SC(C)C 743186238 YPDNOTIYAFEVOX-UHFFFAOYSA-N 282.796 3.595 30 20 CHED CCN(CC)c1ccc(/C=N\CC(C)(C)SC)c(O)c1 743502534 CRHIZPJLIPDXJC-BOPFTXTBSA-N 294.464 3.799 30 20 CHED Cc1ccc(N(C)C(C)C)c(C(=O)OCCCCC#N)c1 744140661 LBNJARMIXFMJPH-UHFFFAOYSA-N 288.391 3.690 30 20 CHED c1ccc2c(c1)CCC(=NNc1nncc3ccccc13)C2 745843795 TZUPQKHKGLCQII-UHFFFAOYSA-N 288.354 3.587 30 20 CHED FC(F)(F)c1ccc(CON=Cc2cncs2)cc1 746577169 SANSOMUZDRXKAS-UHFFFAOYSA-N 286.278 3.713 30 20 CHED N#CCC[C@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 749044573 AALQJRZAXLTTLQ-HNNXBMFYSA-N 286.350 3.945 30 20 CHED COc1ccc(NN=Cc2ccc(F)cc2Cl)cc1 750926562 ZWBMWAQROXNHQJ-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CC(C)c1cccc2c1OCCC2=NNc1ccccn1 753919093 USIMEVFBVQYDPM-UHFFFAOYSA-N 281.359 3.804 30 20 CHED CC(C)c1cccc2c1OCCC2=NOCc1cccnc1 753927114 AHJRMRLFUPLQEU-UHFFFAOYSA-N 296.370 3.908 30 20 CHED C[C@H]1CC(=NO[C@H]2CCCCO2)c2ccsc2S1 755822648 LXSKWDZOLCNVMB-CABZTGNLSA-N 283.418 3.880 30 20 CHED C=C[C@H](C)NC(=O)Nc1nc(C)c(-c2ccccc2)s1 756824804 ZASJTCVMAWSVSB-JTQLQIEISA-N 287.388 3.815 30 20 CHED C#CC[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1 757577234 GPLDNWHUULNUCZ-HHNLSAEISA-N 293.341 3.720 30 20 CHED C#CC[C@@H](NC(=O)c1cnc(C2CC2)s1)c1ccccc1 757582307 ZLEBIHWDBHYUBC-CQSZACIVSA-N 296.395 3.515 30 20 CHED CC[C@H]1CCCC1=NNc1nncc2ccccc12 758359658 CITIAYWASGKIQG-NSHDSACASA-N 254.337 3.608 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)Cc1ccco1)c1ccccc1 758378352 IDSRMOZCVJUXAD-CABCVRRESA-N 283.371 3.687 30 20 CHED CC[C@H](C)n1ncc(C(=O)OCCCCC#N)c1C1CC1 760625736 YYZNKKWWTMWIFF-LBPRGKRZSA-N 289.379 3.582 30 20 CHED C=CCCC(=O)COC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 761393655 SJHDMGYAHHOAJX-GJZGRUSLSA-N 292.762 3.522 30 20 CHED C#CCCCCCc1nc(C2Cc3ccccc3C2)no1 761967809 FISIIRDRCPBZSP-UHFFFAOYSA-N 280.371 3.688 30 20 CHED N#CC1(OC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CCC1 762094448 KAXHJOAHHZHTFE-DLBZAZTESA-N 291.350 3.933 30 20 CHED C[C@H](c1noc(Cc2cccc(OCC#N)c2)n1)C(C)(C)C 762150147 XBEXRNWRDMSCNF-GFCCVEGCSA-N 299.374 3.712 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc2c(c1)COC2 764436198 QOTHXEGVVAMURT-SNAWJCMRSA-N 286.352 3.683 30 20 CHED FC(F)(F)CON=Cc1cc2ccccc2nc1Cl 764845302 SJAQUJHKVAZLTD-UHFFFAOYSA-N 288.656 3.801 30 20 CHED FC(F)C1CC(=NNc2ncccc2C(F)(F)F)C1 766018509 MMDNYTXRLLYIKG-UHFFFAOYSA-N 279.212 3.543 30 20 CHED Oc1ccc(Cl)cc1/C=N\[C@@H]1CCOC2(CCC2)C1 767688117 JMWQGPPMUZWMIX-OMJMQIJPSA-N 279.767 3.566 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](F)c2ccccc2)s1 769449845 FTJLTQHJQQIKOE-CYBMUJFWSA-N 288.347 3.831 30 20 CHED COCCC(=NNc1c(C)cccc1F)C(C)C 769828859 XPDOIZCFMFQULF-UHFFFAOYSA-N 252.333 3.595 30 20 CHED N#Cc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)c(F)c1 772808087 UDGZDJSMBKDNDQ-RIYZIHGNSA-N 293.297 3.615 30 20 CHED C#CC[C@@H](N[C@@H](C)CC1CCOCC1)c1ccccc1 773116419 ROVRGOOCIRTKAW-MAUKXSAKSA-N 271.404 3.546 30 20 CHED C#CCCCCC(=O)OCc1ccc(SC)cc1 773631960 GPOSOHSBDDJEDT-UHFFFAOYSA-N 262.374 3.645 30 20 CHED CCc1oc2ccccc2c1C=NOC1CCOCC1 774438455 RBJBVPUOWFBDQD-UHFFFAOYSA-N 273.332 3.525 30 20 CHED C=CCCCC(=O)OCc1cnc(C(C)(C)C)s1 774536523 SVYWFIKDEZZQSY-UHFFFAOYSA-N 267.394 3.840 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(-c2cccc(F)c2F)o1 775184697 XVAZTMJZHGILNU-LLVKDONJSA-N 275.298 3.678 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@H](O)c1ccc(Cl)cc1 776014617 ALJFLIFCUVCXQP-WFASDCNBSA-N 295.810 3.625 30 20 CHED C#CC[C@H](N[C@@H]1C[C@@H](OCC)C1(C)C)c1ccccc1 776172022 REDSNIPCAGVEFG-GVDBMIGSSA-N 271.404 3.544 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(F)ccc1C 777918397 AFECFQCQADETEX-ALCCZGGFSA-N 269.319 3.988 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H](C)CCCCC 779329379 XKWOOGPKAGCTOX-OAHLLOKOSA-N 292.423 3.989 30 20 CHED C#CCCCCCC(=O)N[C@@]1(C)CCCc2ccccc21 779898753 LEYORZMXJQJAJJ-IBGZPJMESA-N 283.415 3.938 30 20 CHED Cc1ccc(-c2cccc(C=NN[C@@H]3CCCOC3)c2)cc1 780263229 WZWJWGJQYYBQKU-LJQANCHMSA-N 294.398 3.765 30 20 CHED CC1(c2ccccc2)CC(=NNc2ncncc2Cl)C1 780281939 ZNONJCQQANIOOS-UHFFFAOYSA-N 286.766 3.650 30 20 CHED CC(C)(C#N)CCCOC(=O)C(F)(F)c1ccccc1 782934151 RDYMACPTMGFHFL-UHFFFAOYSA-N 281.302 3.652 30 20 CHED C=C(Cl)CSCc1cn2c(C)cccc2n1 782948383 RPXSKSRLQYUSAM-UHFFFAOYSA-N 252.770 3.628 30 20 CHED C#CCC1(OC(=O)c2coc3ccccc23)CCC1 788079415 GXJIMHAPRYSMTR-UHFFFAOYSA-N 254.285 3.536 30 20 CHED C#CCC1(C(=O)Nc2cc(C)ccc2OC)CCCCC1 788423388 GZLRUIIVBYXPCV-UHFFFAOYSA-N 285.387 3.916 30 20 CHED COc1ccc2nc(/C=C\C(=O)c3ccncc3)sc2c1 788732438 MTPFGBCSJDUAQH-PLNGDYQASA-N 296.351 3.596 30 20 CHED COCCON=CCCc1c(Cl)cccc1Cl 790166800 CJEXNEALUNYXSB-UHFFFAOYSA-N 276.163 3.575 30 20 CHED C#CC[C@H](NC(=S)Nc1ccsc1)c1ccccc1 790323690 XARDFSLTZFHXPJ-AWEZNQCLSA-N 286.425 3.799 30 20 CHED C#CCCCNC(=O)Nc1ccc(C(C)(C)CC)cc1 790599468 YSPXVGYRZCJTTI-UHFFFAOYSA-N 272.392 3.909 30 20 CHED Cc1ccc2c(c1)CCN(c1nc3ccccc3cc1C#N)C2 790780363 QHWSLNOBGDMJJD-UHFFFAOYSA-N 299.377 3.978 30 20 CHED C#C[C@@H](CCC)NC(=O)C1(c2ccc(F)cc2)CCCC1 791743248 OOFPAHQZHWFYEE-INIZCTEOSA-N 287.378 3.556 30 20 CHED C[C@@H](NN=Cc1cn(C)nc1-c1cccs1)C(C)(C)C 793110959 DHDGHPPESLYIIZ-LLVKDONJSA-N 290.436 3.507 30 20 CHED C[C@@H](NN=C/C=C/c1ccc(F)cc1F)C(C)(C)C 793114095 JGPGILDINCKCPI-KVXIEKIESA-N 266.335 3.988 30 20 CHED CC[C@H](C)CON=C(C)CCc1ccccc1[N+](=O)[O-] 793160979 YQFAYYVBPROREO-LBPRGKRZSA-N 278.352 3.966 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1cccc(Cl)n1 793173975 GCRUTVGBQRKRQR-MNOVXSKESA-N 251.761 3.959 30 20 CHED CC1(C)CCC(=NNc2ccccn2)c2ccccc21 794846043 BSORRCMAQRPUID-UHFFFAOYSA-N 265.360 3.969 30 20 CHED FCC[C@@H]1CCCC1=NNc1nncc2ccccc12 794860254 OCDQOYJHTYGNKK-NSHDSACASA-N 272.327 3.557 30 20 CHED Fc1ccc(/C=C\C=NOCCC(F)(F)F)cc1F 794933305 SAFMCYXJLADVJH-PGAOEHQISA-N 279.208 3.933 30 20 CHED CC1(C)CCC[C@H]1NN=C1CCC[C@@H]1c1ccccn1 794935614 JAONVCTZIGSOSS-CZUORRHYSA-N 271.408 3.873 30 20 CHED O=C1/C(=C/c2ccc(C(F)F)cc2)Oc2cc(O)ccc21 794936576 BPLHVOQPJDCPMX-AUWJEWJLSA-N 288.249 3.946 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C/C(=O)c1occc1C 794941603 SDRZLZGRXBERMC-SNAWJCMRSA-N 284.311 3.799 30 20 CHED Cc1cc(/C=C2/CCc3nn(C)cc3C2=O)ccc1Cl 794962677 URLPMEGOIOHFTG-WQLSENKSSA-N 286.762 3.594 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1ccc3ccccc3c1)C2=O 794965349 QYTAYPTVNGRXLT-WJDWOHSUSA-N 288.350 3.786 30 20 CHED Fc1cccnc1NN=Cc1ccc(Cl)cc1Cl 794993272 KNZGNLKUDLAXQJ-UHFFFAOYSA-N 284.121 3.974 30 20 CHED COCCCON=C1C[C@@H](C(C)C)c2ccccc21 795051626 XDIZTRGZZURVEB-HNNXBMFYSA-N 261.365 3.587 30 20 CHED CC1(C#N)CN(C(=O)c2sc3ccccc3c2Cl)C1 796417049 QNKDONZFSFDVED-UHFFFAOYSA-N 290.775 3.540 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)ccn1 797103875 ADDXXBUUBVNHFD-BHYGNILZSA-N 298.386 3.603 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cnoc1C 799481014 GHBMLINAVQJFAL-UHFFFAOYSA-N 257.337 3.744 30 20 CHED C=CCCCCCCNC(=O)c1ncoc1C(C)C 805219198 AFENUAAPGDLDMQ-UHFFFAOYSA-N 264.369 3.664 30 20 CHED C[C@@H](OC(=O)C(C)(C)C1CC1)c1cccc(C#N)c1 805702890 CNLZSXVUPBDQOD-LLVKDONJSA-N 257.333 3.599 30 20 CHED N#Cc1cccc(SCC[C@H](O)c2ccccc2)c1 806583309 QEMLFCMCVYBPHM-INIZCTEOSA-N 269.369 3.774 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccsc1 807216980 NOCSVPJRAGXMKW-CQSZACIVSA-N 298.411 3.654 30 20 CHED CCC(CC)N(CC)C(=O)/C=C\c1ccccc1C#N 809334152 ZTPYALFIDTYUSR-QXMHVHEDSA-N 270.376 3.609 30 20 CHED C#Cc1ccc(CN(C)[C@H](C)c2cccc(O)c2)cc1 809573382 JLOCHZRORBMCME-CQSZACIVSA-N 265.356 3.567 30 20 CHED C=CCCCCCCCNC(=O)CC(C)(C)C#N 810768468 NNLLVUNCIKSVKX-UHFFFAOYSA-N 250.386 3.569 30 20 CHED C=CCOCCOC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 813894505 LVXJBIIXFNLCKP-ROUUACIJSA-N 296.366 3.689 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)Cc1ccccc1Cl 814310487 SEFYTZKSHHLBHU-GFCCVEGCSA-N 279.811 3.990 30 20 CHED CSC(C)(C)CC=NNc1ncccc1Cl 814810910 ZEHQEOYBCMFXPS-UHFFFAOYSA-N 257.790 3.664 30 20 CHED COc1cc(C(C)=NNc2ccc(C(F)(F)F)cc2)on1 814882186 JCIVCNONZLBMMI-UHFFFAOYSA-N 299.252 3.538 30 20 CHED CO[C@](C)(C=NN1CCC(C(C)(C)C)CC1)C1CC1 814913605 RCLQVQFSQNMRSN-MRXNPFEDSA-N 266.429 3.545 30 20 CHED CC(C)[C@H]1N(Cc2ccc(O[C@H](C)C#N)cc2)CC1(C)C 816625060 PVQXZDUTWSGARW-RHSMWYFYSA-N 286.419 3.844 30 20 CHED Fc1cccc(F)c1NN=C1CCc2cccnc2CC1 817325941 PHDJXZOSHXQTTB-UHFFFAOYSA-N 287.313 3.707 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@@H]2C[C@H]2C2CCC2)cc1 818223297 UYEXAOAUKIODAM-OWQGQXMQSA-N 284.403 3.503 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 819734572 RLWICEMLVMREFC-CJNGLKHVSA-N 299.422 3.652 30 20 CHED C/C=C\C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 819739312 XZWXIQFMQIINNN-MZBZXASESA-N 296.292 3.522 30 20 CHED Cc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)c(C)o1 822525516 HSNUNLLQBRJWQO-CYBMUJFWSA-N 268.360 3.961 30 20 CHED C#CCCCCN[C@@H](C)Cc1coc2ccccc12 823997239 YEDMBOKBCVOEBK-AWEZNQCLSA-N 255.361 3.757 30 20 CHED CC(C(=O)Nc1cc(C#N)ccc1OC(C)C)=C1CCC1 825394280 XNUTWAONNMFHLU-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C=CCC1(C(=O)Nc2nccc3ccncc23)CCCC1 830235265 GFUNVSHSPUSYOW-UHFFFAOYSA-N 281.359 3.705 30 20 CHED Brc1cccc(NN=C[C@H]2CC=CCC2)n1 835024419 RKWUIKDAUOQYQD-JTQLQIEISA-N 280.169 3.598 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 835035258 FFWSUBRIXKTRAE-FRRDWIJNSA-N 281.359 3.565 30 20 CHED CC[C@H](OC(=O)c1cc(C#N)[nH]c1C)c1ccc(OC)cc1 835149310 ZXWUBBFHQBWPHI-INIZCTEOSA-N 298.342 3.512 30 20 CHED C=C[C@@H](OC(=O)c1coc2c1C(=O)CCC2)C(C)(C)C 835390469 CZEGDVZQYFLECW-CYBMUJFWSA-N 276.332 3.556 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1nc2ccccc2s1 836304865 SJJFIYJZOXHDCT-LLVKDONJSA-N 289.404 3.623 30 20 CHED C=CC(C)(C)C(=O)OCc1csc(-c2ccoc2)n1 837863339 BPKQIWUCOAYUSU-UHFFFAOYSA-N 277.345 3.659 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2cccc(C)c2nc1Cl 838208305 QFIYMHCKRJBEIC-LLVKDONJSA-N 288.734 3.656 30 20 CHED C[C@@H]1C[C@H](C/N=C\c2c(O)ccc3ccccc23)[C@@H](C)O1 840712801 MEFITFGWQZRWDX-GOEHEWSTSA-N 283.371 3.778 30 20 CHED CCC(=NNc1ccc(Br)nc1)[C@@H]1C[C@@H]1C 841626746 SOJABZHXLRHJAF-WCBMZHEXSA-N 282.185 3.678 30 20 CHED FC(F)CNN=C1CC[C@@H](c2cccc(Cl)c2)C1 841626906 VSSWZJMSYKXVSW-SNVBAGLBSA-N 272.726 3.818 30 20 CHED CCCCCCCCC[S@@](=O)Cc1cn(C)nc1C 841726706 ZATYCBUNCTVJDR-LJQANCHMSA-N 284.469 3.728 30 20 CHED C=CC[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1ccncc1 844392181 WYYRCCUQALYVAS-FVQBIDKESA-N 272.392 3.641 30 20 CHED C=C(C)[C@H]1CC=C(COC(=O)C[C@H](C)n2ccnc2)CC1 845486603 XZEZVYVVNXJIFI-HOCLYGCPSA-N 288.391 3.680 30 20 CHED C=C[C@H](C)ONC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 846546008 RLQPBDGZGLXKEZ-AFAVFJNCSA-N 281.355 3.566 30 20 CHED CCCCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 846764828 IVWMXAGWVAUZNI-LSDHHAIUSA-N 286.419 3.822 30 20 CHED C=CCC(C)(C)C(=O)OCc1cnc(-c2ccccc2)nc1 849782412 YHTAYKQPQUIHQP-UHFFFAOYSA-N 296.370 3.789 30 20 CHED C=CC(C)(C)COC(=O)CCC(=O)c1c(F)cccc1F 851064840 WVYXVNZFAYKXID-UHFFFAOYSA-N 296.313 3.683 30 20 CHED N#CC1CCN(CCSc2cccc(Cl)c2)CC1 851740793 YSFLJKJXWZTMLR-UHFFFAOYSA-N 280.824 3.668 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H]2C[C@H]2C1 852344754 XACBCSIGEONBLI-CABCVRRESA-N 264.413 3.564 30 20 CHED C#CCCCN1CC[C@@H]1c1ccc(Br)cc1 852688985 PEXPPVCQAZQRRU-CQSZACIVSA-N 278.193 3.609 30 20 CHED ClC1(Cl)C[C@@H]1C=NNc1nc2ccccc2s1 853256671 XAAYVUAZFKSJRQ-SSDOTTSWSA-N 286.187 3.888 30 20 CHED Cc1cc(NN=C2CCC(=C3CCC3)CC2)nc(C)n1 853290903 NTAOEEOBFJEXOW-UHFFFAOYSA-N 270.380 3.916 30 20 CHED CCOC1CCC(=NNCc2cnc3ccccc3c2)CC1 853321761 IPNRHKXQCCBANY-UHFFFAOYSA-N 297.402 3.660 30 20 CHED CC(=NNc1cc(F)cc(Cl)c1)[C@@H]1CCCOC1 853395617 DVFWAERLIHHLJJ-SNVBAGLBSA-N 270.735 3.694 30 20 CHED C=CC[C@@H]1CCCN(Cn2nc(C3CC3)sc2=S)C1 853536320 AFSXWJFWDBWUTM-LLVKDONJSA-N 295.477 3.797 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1cc(C)ccc1OC 853782498 DAVMJHCATFJIHG-NSHDSACASA-N 299.823 3.816 30 20 CHED C=CC(C)(C)CN[C@@H]1CCc2ccc(Cl)nc21 857915078 ZTSKCZWHOZZCEM-LLVKDONJSA-N 250.773 3.524 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cccc(Cl)c1 860193507 HRQHPYDQTARUSB-UHFFFAOYSA-N 265.740 3.713 30 20 CHED CCC(=O)c1ccc(OC(=O)C(C#N)(CC)CC)cc1 860454633 KUAFAXRTKSJOCO-UHFFFAOYSA-N 273.332 3.515 30 20 CHED Cc1ccc2occ(CC(=O)OCC(C)(C)CC#N)c2c1 860658543 LGNHYAXVACHQKD-UHFFFAOYSA-N 285.343 3.767 30 20 CHED C[C@H](OC(=O)C1(C)CC(F)(F)C1)c1ccc(C#N)cc1 873441253 ODNDJXBLPYGZPS-JTQLQIEISA-N 279.286 3.598 30 20 CHED CCC[C@H](CC)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 873523407 JYEZQIZMRVLXML-STQMWFEESA-N 281.359 3.632 30 20 CHED N#Cc1cccc(CNc2cccc(N3CCCCC3)c2)n1 876824353 KYDILBCBHAWJLA-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 879853717 OQCKCACRSKLMJI-CTYIDZIISA-N 275.367 3.790 30 20 CHED C=C(C)CONC(=O)Nc1nc(C2CCCCC2)cs1 880246069 UJBOIESBTQVGSL-UHFFFAOYSA-N 295.408 3.820 30 20 CHED CCCCCn1cc(CNc2ccc(C)nc2C#N)c(C)n1 882149742 MXHVEIPJKVNSQN-UHFFFAOYSA-N 297.406 3.569 30 20 CHED C=CCC1(C(=O)NCC[C@H]2CCCC[C@H]2O)CCCCC1 887554266 RJYHINUQIBLJFZ-HZPDHXFCSA-N 293.451 3.570 30 20 CHED Cc1cccc([C@H](C)Nc2ccc(C#N)cc2CO)c1C 892564979 ZYFYSTPHMDHTHW-AWEZNQCLSA-N 280.371 3.841 30 20 CHED C=CCC(C)(C)CNCc1c(C)nn(C(C)C)c1C 894607431 RETGSNWDJQFVQY-UHFFFAOYSA-N 263.429 3.773 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(-c3ccccc3)o2)C1 896506037 RZOUPFZZCWIDHD-AWEZNQCLSA-N 266.344 3.682 30 20 CHED C=C1CC(c2noc([C@H](c3ccccc3)N(CC)CC)n2)C1 896876124 CPDORUSMOIJQLJ-INIZCTEOSA-N 297.402 3.934 30 20 CHED C=C1CC(c2noc(-c3ccc(SCC)nc3)n2)C1 896882501 UCFQMUBEEAAELA-UHFFFAOYSA-N 273.361 3.677 30 20 CHED C=C1CCC(C(=O)N2CCC[C@@H]2c2cccc(C)n2)CC1 897014941 CHVOIXVGYDPNSN-QGZVFWFLSA-N 284.403 3.800 30 20 CHED C=CCCC[C@@H](NCC1CCC(C)(C)CC1)C(=O)O 900069241 WBZNRQVYQFRWNG-CQSZACIVSA-N 267.413 3.602 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C(F)=C(/C)C1CC1 900071449 LZAATQCYKBVKFV-SDNWHVSQSA-N 279.380 3.916 30 20 CHED CS[C@H]1CCCC(=NNc2cccc(Cl)n2)C1 901245417 DARFZKBBLGNQLF-JTQLQIEISA-N 269.801 3.809 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2nc(C)c(C)[nH]2)c1 901473550 JJMTWNTYJBMHCU-WAYWQWQTSA-N 254.333 3.539 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nc3ncc(Cl)cc3o2)C1 901670989 BIKXNTAHYQRUOH-IONNQARKSA-N 279.752 3.661 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2sccc2C)no1 903703409 BRATXPMBVFKIHF-QWRGUYRKSA-N 276.361 3.555 30 20 CHED C=C1CC(c2noc(-c3cc(C)cc(Cl)n3)n2)C1 904108591 OXPSUCDRPOTBKU-UHFFFAOYSA-N 261.712 3.527 30 20 CHED C=CCCC[C@H](N)c1nc([C@H](C)C(C)(C)C)no1 904612188 JHMJJDFLNMBYRE-QWRGUYRKSA-N 251.374 3.575 30 20 CHED C=CCCC[C@@H](N)c1nc(C(C)(C)c2ccccc2)no1 904691065 VRLCFGQVRQIAFY-CQSZACIVSA-N 285.391 3.752 30 20 CHED Oc1ccc(C=NNc2ccccc2C(F)(F)F)c(O)c1 916259989 SHPNLDLUEGOMGL-UHFFFAOYSA-N 296.248 3.563 30 20 CHED Cc1cc(C)c(C=NNc2cccc([N+](=O)[O-])c2)c(C)c1 916268957 ILHZOGDIYKOGTC-UHFFFAOYSA-N 283.331 3.966 30 20 CHED CSc1ccc(C=NNCc2ccccc2)cc1 916344142 OMDRWDQHRYKHSF-UHFFFAOYSA-N 256.374 3.532 30 20 CHED C=CCN(C(=O)Nc1ccc(OC)c(OCC)c1)C(C)C 916708502 CYXVIBOQZPIFBA-UHFFFAOYSA-N 292.379 3.522 30 20 CHED Cc1ccc(N(C)Cc2cc(C#N)ccc2F)cc1C 917073570 YYSYAGIQSOCLEI-UHFFFAOYSA-N 268.335 3.951 30 20 CHED C[C@H](/N=C\c1ccccc1O)c1c(F)cccc1F 917558676 UUOSEXVISSXUHC-OAOMGELKSA-N 261.271 3.851 30 20 CHED N#CCCCCOC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 919364900 GKTUPAPMCKOJQY-QWRGUYRKSA-N 277.286 3.592 30 20 CHED COc1cccc(/C=N\C[C@@H](C)c2ccc(F)cc2)c1O 920176988 BXJNYRUCGNACKK-ZDFPAGSVSA-N 287.334 3.763 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CSc2ccccc21 925092098 HNDIVQZPVWYHFN-WCQYABFASA-N 260.406 3.751 30 20 CHED Cc1ccsc1CCN[C@@H](C)CC(C)(C)C#N 925694631 VOVGSLCGPIUETD-LBPRGKRZSA-N 250.411 3.517 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)N[C@@H](C)CC(C)(C)C#N 925710074 VZEHGPOOSDXCEL-ZENOOKHLSA-N 292.398 3.820 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](C#N)CC(C)C 931574405 WNIWUCSGCHLZOT-LBPRGKRZSA-N 276.380 3.554 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C)c2cccnc12 935699806 ZCUWNKCMPZBCFW-AWEZNQCLSA-N 280.371 3.724 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)ccc1F 1116376996 CDOMQKPKKRRWGX-VZUCSPMQSA-N 299.345 3.796 30 20 CHED N#Cc1cccc(CSCc2nccn2C(F)F)c1F 1116465246 JNOIVTAFUHROEL-UHFFFAOYSA-N 297.305 3.722 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCC#N)cc1 1116894759 QBXFWJUTLMEPEY-CJNGLKHVSA-N 286.375 3.744 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H](c2ccccc2)C1 1120656500 GPWWWQCHEQOSHF-INIZCTEOSA-N 257.377 3.749 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 1129494032 ZBGBPSZAHLWWCB-LNLFQRSKSA-N 298.430 3.954 30 20 CHED CC1(C)Cc2cccc(C(=O)O[C@H]3CCC[C@H](C#N)C3)c2O1 1129608622 HASRLAWMXQFORL-JSGCOSHPSA-N 299.370 3.639 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NCc1cc(C#N)cs1 1178931056 KFPPJPSWAMDVCV-KGLIPLIRSA-N 262.422 3.924 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cc(-c3ccccc3)ccn2)C1 1263417602 JNOJDDMPEFOZFD-XJKSGUPXSA-N 292.338 3.598 30 20 CHED CCCc1ccc(C[S@@](=O)CCCCC#N)cc1 1318852258 WYFZUBLMBLLQQM-SFHVURJKSA-N 263.406 3.582 30 20 CHED COc1ccc(Cl)cc1CCN[C@H]1CCC[C@H](C#N)C1 1322129282 FGFBRAUSORTXJF-WFASDCNBSA-N 292.810 3.563 30 20 CHED CC(C)[C@@]1(C)C[C@H]1c1nnc(-c2cccc(C#N)c2)o1 1327001551 YQBWQPFXAQLQJQ-XJKSGUPXSA-N 267.332 3.758 30 20 CHED C#CC[C@@H](CCOC)NCc1ccc(C(F)(F)F)cc1C 1328716209 GUJBVUYIOZZTNH-HNNXBMFYSA-N 299.336 3.532 30 20 CHED Cc1cc(C)c2c(c1)N(C(=O)c1csc(C#N)c1)CCC2 1330505456 QXPXVHBLANIQNT-UHFFFAOYSA-N 296.395 3.830 30 20 CHED C[C@H]1CCCC[C@@H]1Cc1nnc(-c2ccc(C#N)cc2)o1 1333058935 KQVBPOOTNUHOJH-SWLSCSKDSA-N 281.359 3.977 30 20 CHED O=C(CC1CCC1)N(O)Cc1cc(Cl)cc(Cl)c1 1333203715 MFUDGQRTBWDLAR-UHFFFAOYSA-N 288.174 3.901 30 20 CHED C=C(C)CCC(=O)Nc1cccc(OCCCC#N)c1 1335731737 UYSRWICVIUPXRL-UHFFFAOYSA-N 272.348 3.664 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CCOC(C)(C)C1 1335861459 HQDZKZRZTGDLKY-CQSZACIVSA-N 269.429 3.668 30 20 CHED C=C(C)CN(CC)C(=O)c1oc(C2CC2)nc1C(F)F 1336637466 JYSXYGPVAKJPOH-UHFFFAOYSA-N 284.306 3.528 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(F)c3cccnc23)C1 1337474964 MQTCZUBOUFIJAY-NWDGAFQWSA-N 298.317 3.613 30 20 CHED CC[C@@H](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C 1345867050 LOGLSNJZZWEHGA-ZDUSSCGKSA-N 269.348 3.833 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)nc1Cl 1345889256 APWONQMVPQCJLP-SNVBAGLBSA-N 281.787 3.910 30 20 CHED Cc1cc(C#N)ccc1Oc1nc(C#N)c(Cl)s1 1458149491 XDABEIWIXMJQIE-UHFFFAOYSA-N 275.720 3.641 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)c(C)c1 1461019601 PZMUHBAETUCXOS-RDJZCZTQSA-N 256.393 3.925 30 20 CHED N#Cc1cccc(NC(=O)c2coc3ccc(Cl)cc23)n1 1461150032 LQJOYRJIDHWFBB-UHFFFAOYSA-N 297.701 3.605 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)[C@@H]1CC2CCC1CC2 1474624425 SZAPQEXFJIENQR-XOQVMUHJSA-N 282.431 3.905 30 20 CHED CC(C)(CC#N)CNc1cc(Cl)c2cccnc2n1 1515804358 LLXMAFPXHVVUKF-UHFFFAOYSA-N 274.755 3.635 30 20 CHED C#CCN(C(=O)Nc1ccccc1-c1nccs1)C(C)C 1520384310 IJJIXAVWNMCCJW-UHFFFAOYSA-N 299.399 3.686 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C#N)cc2F)c1 1521073704 UKXTZNDXKQEVNY-CYBMUJFWSA-N 296.345 3.805 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)[nH]1 1523862404 RPLKJPFTRWRMIH-UHFFFAOYSA-N 288.306 3.773 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cccc(F)c1C 1534966088 BGDOMOPTGBPWTJ-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CC[C@H](CNc1nccc(C)c1C#N)Oc1cccc(C)c1 1559073425 XMKWJXDLWJRFSP-OAHLLOKOSA-N 295.386 3.840 30 20 CHED C[C@H](Sc1ccc(Cl)cc1C#N)c1csnn1 1559379132 FJZGQKJSZBEJLH-ZETCQYMHSA-N 281.793 3.916 30 20 CHED C=CC[C@H](C(=O)O)N(C)Cc1ccccc1-c1ccccc1 1573350175 FDKTXGRSROPJGA-GOSISDBHSA-N 295.382 3.815 30 20 CHED C[C@H](Sc1nc(C(=O)O)cs1)c1ccc(C#N)cc1 1593680095 SOYATUNFNQJOMF-QMMMGPOBSA-N 290.369 3.566 30 20 CHED C=CC[C@@H](Sc1ccc(Br)cc1)C(=O)O 1602848443 BHSAXMOKOITZCQ-SNVBAGLBSA-N 287.178 3.571 30 20 CHED CC[C@@H]1CCCC1=NNc1cccc(C(=O)O)c1F 1609943571 BWRIBPPRUOUYFC-SECBINFHSA-N 264.300 3.502 30 20 CHED CCCC[C@H](CC)Cn1cc2c(c(C#N)c1=O)CCCC2 1643959287 WVWMRWWUUPVHSM-AWEZNQCLSA-N 286.419 3.815 30 20 CHED N#Cc1ccnc(CSc2cc(F)ccc2F)c1 1652534660 NCAXEWCNLAGZKQ-UHFFFAOYSA-N 262.284 3.524 30 20 CHED O=C(O)c1ccc(NN=Cc2cccc(Cl)c2)cc1F 1776073259 LGCVSPANECXZRY-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Cc1c(NN=Cc2coc3ccccc23)cccc1C(=O)O 1776087625 MOPPKEVYMWCDTK-UHFFFAOYSA-N 294.310 3.885 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(F)c(C(=O)O)c2)cc1 1776114511 RMBHUBXUCNAUPE-UITAMQMPSA-N 284.286 3.728 30 20 CHED O=C(O)c1cc(/C=C/C(=O)c2ccc(F)cc2F)cs1 1776125376 GXTYQOJHIPTYGZ-DAFODLJHSA-N 294.278 3.621 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)o2)c1 1776126928 BIQMARNBSJQTLQ-XOHWUJONSA-N 282.295 3.582 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1cc(C(=O)O)c(C)o1)C2=O 1777455662 KOKPYZMJJGWYQI-QOUOVQQFSA-N 296.322 3.978 30 20 CHED C=CCc1ccccc1OCC(=O)Nc1ccc(CC)cc1 1284705 DDONALKAYLNBDE-UHFFFAOYSA-N 295.382 3.995 30 20 CHED C=CCn1c(SCc2ccccc2C)nnc1C1CC1 4345294 VWXPKDAFARAOJL-UHFFFAOYSA-N 285.416 3.942 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc(CC#N)c2)c1 55725100 FGOZQJRUBSYDFQ-UHFFFAOYSA-N 292.338 3.570 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(F)(F)F)cc1 57157908 RKZPJGIKPDVTLR-UHFFFAOYSA-N 271.282 3.744 30 20 CHED CCCCC1CCC(C/N=C(\N)Nc2ccccn2)CC1 170910522 FYJULOVUOZKXTH-UHFFFAOYSA-N 288.439 3.805 30 20 CHED N#CCCCCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 170968043 KPXKZXLEARUIPC-QZTJIDSGSA-N 292.382 3.753 30 20 CHED CC(C)CNC(=O)[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 118446688 MCQCLUBIUMHCGH-QWHCGFSZSA-N 290.432 3.513 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1 119790544 RBQYEHZKHQNPBY-MRXNPFEDSA-N 285.391 3.795 30 20 CHED N#CC1CCN(CCSc2ccc(Cl)cc2)CC1 57880185 LEIAHVIUFDOHIG-UHFFFAOYSA-N 280.824 3.668 30 20 CHED C=CCN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 111242173 DXBCQQNPPFEFAG-QGZVFWFLSA-N 271.335 3.699 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2ccccc2C#N)C1 102831017 UUJFPDMPKZBMLC-CHWSQXEVSA-N 256.349 3.713 30 20 CHED C=CCOc1ccc(C(=O)NC(C)(C)CCC)cc1OC 50809246 FDDCYMIDVCHPTR-UHFFFAOYSA-N 291.391 3.569 30 20 CHED CC[C@H](c1ccccc1)c1nnc(SCCC#N)o1 67953809 OOKBLFKTDBTOPR-GFCCVEGCSA-N 273.361 3.617 30 20 CHED Cc1ccc(CNc2cc(C#N)ccc2[N+](=O)[O-])cc1F 302221672 SLMMRLPPYWPFLG-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C=CC[C@@H](C)NCc1nc(-c2ccccc2)cs1 116926765 RRPOUSXRQJEBNW-GFCCVEGCSA-N 258.390 3.864 30 20 CHED C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccccc1C#N 175039201 AYJAELLWMVSOJN-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED C=C(C)CNc1ccc(C(=O)NC2CCCC2)cc1C 65277196 CBIBUOSOMNMROU-UHFFFAOYSA-N 272.392 3.655 30 20 CHED CC[C@@H]1Cc2ccccc2CN1c1ccc(Cl)c(C#N)n1 302206895 KQVXEPQQILNTOX-CQSZACIVSA-N 297.789 3.948 30 20 CHED C[C@@H](CC#N)NC(=O)Cc1csc2ccc(Cl)cc12 179275703 NHDJEYQYMARSCO-VIFPVBQESA-N 292.791 3.516 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)CC2CCC2)n1 177756317 QCMFCLHLXGTMMY-LLVKDONJSA-N 262.378 3.633 30 20 CHED CC[C@H](c1ccccc1)c1nnc(S[C@H](C)C#N)o1 67954120 NPOWTYIHXUPOEZ-ZYHUDNBSSA-N 273.361 3.616 30 20 CHED C[C@H](O)c1ccc(CNc2c(F)cc(C#N)cc2F)cc1 171830656 XHUPSDFPLBPAQV-JTQLQIEISA-N 288.297 3.502 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 171172416 PTAOPGRSVAYKJL-KRWDZBQOSA-N 298.430 3.988 30 20 CHED C=CCN(Cc1cccs1)C(=O)Cc1ccccc1F 60677999 IADZDSCSMOGLNX-UHFFFAOYSA-N 289.375 3.645 30 20 CHED N#Cc1cccc(NC(=O)c2sccc2-n2cccc2)c1 25153427 AJEHVEGITAABNW-UHFFFAOYSA-N 293.351 3.663 30 20 CHED CCCCCc1ccc(NC(=O)NC[C@H](C)C#N)cc1 176292144 ISCFCBQICQHRET-CYBMUJFWSA-N 273.380 3.700 30 20 CHED C=CCC[C@H](Nc1nnc(C)s1)c1ccccc1 301796815 UDTHYWGMSZNKHT-ZDUSSCGKSA-N 259.378 3.966 30 20 CHED CCSCC[C@H](C)N(C)c1cccc(F)c1C#N 301447402 RLOGWVSYNUDPQT-NSHDSACASA-N 266.385 3.665 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1cccc(C)c1 121883312 JMKVSUFPWVVBEB-KGLIPLIRSA-N 262.349 3.580 30 20 CHED CC(C)OCc1cccc(Nc2ncccc2C#N)c1 301535993 MQSSUGWTTTXNLG-UHFFFAOYSA-N 267.332 3.622 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1ccc(C#N)s1 179490934 DZKXTLGAIQVOHL-LBPRGKRZSA-N 268.385 3.739 30 20 CHED CC(C)[C@@H](CC(=O)NCCCCC#N)c1ccccc1 171498980 NIAFFSSOKQGOSP-MRXNPFEDSA-N 272.392 3.626 30 20 CHED N#Cc1cccnc1N[C@H]1CCC[C@@H]1Cc1ccccc1 301338335 DCVULOSHDMBWEP-WBVHZDCISA-N 277.371 3.777 30 20 CHED Cc1nc(CNc2ccc(Cl)c(C#N)c2)cs1 35224473 FXPPCRSJYUJWPW-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)CCCc1ccccc1 180871990 GZIQEJFRUFDJOB-GJZGRUSLSA-N 259.393 3.726 30 20 CHED C=C(C)CN(CC)C(=O)c1c(C)[nH]c2ccccc12 123826088 FWKNPJKXKLWHQZ-UHFFFAOYSA-N 256.349 3.515 30 20 CHED C=C(C)COC(=O)COc1ccccc1[C@@H](C)CC 218018685 FMIUFWNHJCIRAA-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C/C=C/Cl 76153516 CUQNXCGLDZDKGY-BKILABGBSA-N 260.768 3.511 30 20 CHED CC[C@@H](c1ccc(F)cc1)[S@](=O)CCCCC#N 78734962 DCFPGCYUYHZWQN-KSSFIOAISA-N 267.369 3.719 30 20 CHED C#CCCCNc1ncc(C(F)(F)F)cc1Cl 172779070 UQEVVCGAZULVEX-UHFFFAOYSA-N 262.662 3.579 30 20 CHED COc1ccc(CNc2ccc(OCC#N)cc2)cc1C 37228575 APTULLSVFAFGRA-UHFFFAOYSA-N 282.343 3.518 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(C#N)c2)s1 121055926 FJAXHYRGHVDGJC-NSHDSACASA-N 299.399 3.681 30 20 CHED C[C@H](c1cccnc1)N(C)Cc1ccc(Cl)cc1C#N 187365496 OFVMQTZEZIMUHO-GFCCVEGCSA-N 285.778 3.800 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](CC)C1 181390903 VKMLXSDRPDNMPS-UONOGXRCSA-N 252.402 3.563 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(Cl)c(F)c1 155225450 PATSRVRBDPRYCP-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=CCN(Cc1ccc(Cl)s1)CC(F)(F)F 126638788 MRCRDXMOPNRSDO-UHFFFAOYSA-N 269.719 3.952 30 20 CHED N#Cc1csc(CN2CCC(c3ccc(O)cc3)CC2)c1 124551224 TWBFFAFFOUWYEJ-UHFFFAOYSA-N 298.411 3.705 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 216167113 NXWZBJWPWDUGPA-LBPRGKRZSA-N 280.799 3.565 30 20 CHED C[C@H](CC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 76828350 FFOBMSCNFSTSQF-GFCCVEGCSA-N 282.318 3.830 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)c1ccccc1F 189939919 RTOSYFFHQSSAEH-CYBMUJFWSA-N 290.382 3.860 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)NCC(C)(C)CCC#N 503545867 BBXBSBWNGOGSOA-CQSZACIVSA-N 293.455 3.974 30 20 CHED N#Cc1ccc(N2CCC[C@H]2CCC2CCCC2)nc1 410205414 HPYLAIGEJTVYDG-INIZCTEOSA-N 269.392 3.892 30 20 CHED CCCCNc1ccc(C#N)cc1Br 37072377 HSHWDBQOGIQBED-UHFFFAOYSA-N 253.143 3.533 30 20 CHED CC#CCSc1nnc(-c2ccccc2Cl)o1 78973688 CFVYJRUJOTWHED-UHFFFAOYSA-N 264.737 3.505 30 20 CHED COc1cccc(OCCSCc2ccccc2C#N)c1 507586659 QCIZSXGKQZBSFR-UHFFFAOYSA-N 299.395 3.879 30 20 CHED CCCCc1nc(CSc2ccc(C#N)cc2)no1 505886640 JBCNNHSIUUPIQD-UHFFFAOYSA-N 273.361 3.576 30 20 CHED CC(C)COCCN(Cc1ccc(C#N)cc1)CC(C)C 501162847 KUOIBYZPAWSEEG-UHFFFAOYSA-N 288.435 3.689 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc(Cl)c1 509029659 LETPAKFPVYXRCC-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(F)cc1C#N 128973470 XCYCCVWRLDMMPB-HZMBPMFUSA-N 290.363 3.683 30 20 CHED CCS[C@@H](C)c1noc(CSCC2(C#N)CCC2)n1 419428641 AXRDMQLFEJVXHT-JTQLQIEISA-N 297.449 3.811 30 20 CHED C=C[C@H](CC(=O)OCc1ncccc1C)c1ccccc1 180371780 CLZBGHVSZZFZOW-OAHLLOKOSA-N 281.355 3.793 30 20 CHED COc1cccc(SCc2ccc(F)c(C#N)c2)c1 158465120 SIHFXIBVXLKCNC-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=C(C)CS[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O 419411397 BKUFKGXSDHTNOG-WFASDCNBSA-N 293.407 3.797 30 20 CHED CC[C@@H]1CC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 417369930 RZYJLBFGTSYIBR-XYPHTWIQSA-N 254.377 3.714 30 20 CHED CC(C)OC1CC(N[C@@H](CCC#N)c2ccccc2)C1 189551201 FDGZUIGKPHWTGO-JCYILVPMSA-N 272.392 3.577 30 20 CHED C#CCCN[C@H](C)c1cc(F)c(Cl)cc1Cl 70190985 VVUKEHYEFFBHCX-MRVPVSSYSA-N 260.139 3.806 30 20 CHED CC#CCCCC(=O)Nc1cc(C#N)ccc1NCCC 184161210 YTPJBRXDKGBCCT-UHFFFAOYSA-N 283.375 3.512 30 20 CHED C#CCCCCC(=O)N1CCC[C@H](c2ccccc2)CC1 180006994 SJJQTLIQLJUNOH-SFHVURJKSA-N 283.415 3.976 30 20 CHED CCCCCCNC1CCN(Cc2ccc(C#N)cc2)CC1 181392626 VSTIDGLRVBKMGZ-UHFFFAOYSA-N 299.462 3.693 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](C)[C@@H](C)c1ccccc1 509344400 MZMXOULBPRYHRG-UKRRQHHQSA-N 292.382 3.789 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(C)c(Cl)c(C)c1 508062206 MIEMBCPMCUNQKN-GFCCVEGCSA-N 281.783 3.877 30 20 CHED C=C[C@H](CC)OC(=O)Cc1c(C)[nH]c2ccccc12 181245229 FHBMYHKSWPDHNX-GFCCVEGCSA-N 257.333 3.527 30 20 CHED N#CC1(CCN2CCc3ccc(O)cc3C2)CCCCC1 411387673 LATDANZLZSDXFV-UHFFFAOYSA-N 284.403 3.614 30 20 CHED CC(C)c1ccccc1OCCNc1ncccc1C#N 41437853 RINVJGCADBVUJH-UHFFFAOYSA-N 281.359 3.568 30 20 CHED Cc1c(C#N)cccc1NCC1=Cc2ccccc2OC1 500747563 KOSIXCSNVRDEJJ-UHFFFAOYSA-N 276.339 3.755 30 20 CHED Cc1ccc(-c2ncc(CNCC3(C#N)CCC3)s2)cc1 418137080 CXRFZNIGPLMKHN-UHFFFAOYSA-N 297.427 3.902 30 20 CHED C[C@@H]1CN(c2ncc(C#N)cc2F)CC[C@@H]1c1ccccc1 413174775 QIKYSLSETZEKRN-CJNGLKHVSA-N 295.361 3.722 30 20 CHED Cc1cccc(NC(=O)NCC#Cc2cccc(F)c2)c1C 509370190 IREXXPJOBNWQDV-UHFFFAOYSA-N 296.345 3.616 30 20 CHED C=CCCc1csc(-c2c(C)nc3sccn23)n1 134517212 WPAJISGDCHAMON-UHFFFAOYSA-N 275.402 3.946 30 20 CHED Cc1ccc([C@]2(C)CCN(c3ncc(C#N)cc3F)C2)cc1 413259973 DVYODMIHLNVSOL-GOSISDBHSA-N 295.361 3.569 30 20 CHED C[C@@H](NCCCCC#N)c1cccc(Br)c1 49578457 NLZCBNHROFGSFQ-LLVKDONJSA-N 281.197 3.794 30 20 CHED CC1CCC(N(C(=O)c2cccc(CC#N)c2)C2CC2)CC1 49654148 SCODQYRNAPXLAY-UHFFFAOYSA-N 296.414 3.936 30 20 CHED CC[C@H](NCCC1(C#N)CCCCC1)C1CCOCC1 411485121 ZQQLITSPGLXFHI-INIZCTEOSA-N 278.440 3.645 30 20 CHED CC(C)(C#N)CCCN1CC[C@H]1c1cccc(F)c1 610505645 PRHITJYLCCCNMZ-HNNXBMFYSA-N 260.356 3.902 30 20 CHED C/C(=C/C(=O)NC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 130111460 LVECBMDMIPHIQR-NTMALXAHSA-N 296.292 3.527 30 20 CHED CCCCCCCC(=O)NCc1ncc(C)c(OC)c1C 139709552 VMIAVZYTJVSHDT-UHFFFAOYSA-N 292.423 3.684 30 20 CHED C=CCN(C)C(=O)c1ccccc1Nc1ccccc1OC 193006266 RBZANXLPIWPVCI-UHFFFAOYSA-N 296.370 3.697 30 20 CHED CC1CCN(Cc2cc(C#N)ccc2Br)CC1 191773715 JLTNEZLOAMGIKQ-UHFFFAOYSA-N 293.208 3.553 30 20 CHED Cc1ccoc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191896 YZHNQEHSRKWZQD-UHFFFAOYSA-N 294.232 3.731 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(SC)cn2)no1 420516176 WUSYYPMHNPPSGH-CQSZACIVSA-N 275.377 3.707 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)cn1 517387281 BEBDDPXIJJESNB-YJBOKZPZSA-N 291.398 3.721 30 20 CHED CC(C)[C@H]1CC[C@H](/C(O)=N/[C@H]2CCc3nc[nH]c3C2)CC1 328934238 IXQNEASGDVLSBM-IHRRRGAJSA-N 289.423 3.686 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/C[C@@H](C)SC)cc1 130713866 XBYQIXGIVOQHMC-VXGBXAGGSA-N 279.453 3.678 30 20 CHED CC1(C)CCCc2cc(C#N)c(NC[C@H]3CCCCO3)nc21 428108471 SBIVKQZCIJTDKH-OAHLLOKOSA-N 299.418 3.548 30 20 CHED Cc1cc(C)c(CO/N=C(/N)c2ccsc2)c(C)c1 49153825 WZETXARBQAKJNM-UHFFFAOYSA-N 274.389 3.510 30 20 CHED Cc1ccccc1S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C 48835168 ACLRTDRLGWOQMT-CZUORRHYSA-N 290.432 3.530 30 20 CHED COCc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 192964408 VPHIXIHGUABXKI-AWEZNQCLSA-N 296.370 3.908 30 20 CHED C[C@H](Nc1cnc2ccccc2n1)c1ccc(C#N)cc1 42099891 HFECKWVTJPYJGL-LBPRGKRZSA-N 274.327 3.675 30 20 CHED C#CCCCC(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 190465743 AQAUBCQWJXXBQS-UHFFFAOYSA-N 295.386 3.540 30 20 CHED C=CCSCCNC(=O)c1cc(Cl)ccc1Cl 194503151 KXLJPWGYZYDAJT-UHFFFAOYSA-N 290.215 3.642 30 20 CHED C=CCOc1ccccc1C(=O)OCCc1cccs1 195720772 PHISPUJMZQOTHN-UHFFFAOYSA-N 288.368 3.712 30 20 CHED N#Cc1ccccc1CN1CC[C@@H](c2ccccc2F)C1 337498434 KEUMPUHJHVMNFP-MRXNPFEDSA-N 280.346 3.687 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCN(c2ccccc2F)C1 426296599 SVLLEIGLOIUIBQ-RRFJBIMHSA-N 276.399 3.595 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@H](C)CC 191285133 VELHSAOWKWQUPM-CYBMUJFWSA-N 252.402 3.601 30 20 CHED COc1ccc2cc(CNCCCCC#N)ccc2c1 237319063 XJZMKSHDOCGEQJ-UHFFFAOYSA-N 268.360 3.632 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)c1ccncc1F)c1ccccc1 338187136 WPURRVCDNUIRGC-KBPBESRZSA-N 298.361 3.758 30 20 CHED Cc1ccc2c(c1)CC[C@H](C(O)=Nc1cnc(C)s1)O2 330013470 MEVBMOSVXVODLG-CYBMUJFWSA-N 288.372 3.742 30 20 CHED C[C@H](c1ccccc1Cl)N(C)C(=O)NCC(C)(C)C#N 512783657 NKTDBJRDPWZVRJ-LLVKDONJSA-N 293.798 3.592 30 20 CHED COc1cccc(C(=O)/C=C\c2cccc(F)c2)c1 96551555 WUBDSBOMUNXOIG-HJWRWDBZSA-N 256.276 3.730 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC[C@](F)(c3cc(F)cc(F)c3)C2)C1 339170901 JJHSSOQRWXUHEE-HFBAOOFYSA-N 294.320 3.528 30 20 CHED C=C(CNC(=O)N(C)C1CCC(C)CC1)c1ccccc1 512666619 LMUGTZHDOGEXFV-UHFFFAOYSA-N 286.419 3.920 30 20 CHED N#Cc1ccc(NCCc2cc(C(F)(F)F)ccn2)cc1 338751654 OPEXYAQWBTUJSB-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(SC)c(F)c1 90883734 LRFYVXLJWLAKAH-LBPRGKRZSA-N 283.412 3.791 30 20 CHED Cn1c(-c2cccc(C#N)c2)nc2ccc(Cl)cc21 432506758 OKQIQPSHSDAOBC-UHFFFAOYSA-N 267.719 3.765 30 20 CHED CC(C)Oc1ccc(NC(=O)C[C@@H](C)C(C)C)cc1C#N 435352158 AOSITEOJMXVUDW-CYBMUJFWSA-N 288.391 3.966 30 20 CHED CCC(CC)n1ccc(C(=O)Nc2cccc(C#N)c2C)n1 432337489 RAOSSJXUOHECOO-UHFFFAOYSA-N 296.374 3.677 30 20 CHED C=CC1CCN([C@H](C(=O)O)c2c(F)cccc2Cl)CC1 520594425 KSCAGBUZDBKSNH-AWEZNQCLSA-N 297.757 3.503 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)CCc1ccccc1 527891757 CIPBNEAMTXYZBL-QYZOEREBSA-N 287.447 3.969 30 20 CHED CCO[C@H]1C[C@H](Nc2ccc(F)cc2C#N)C12CCCC2 97635738 ASZYPCLVLIDUJG-HOTGVXAUSA-N 288.366 3.847 30 20 CHED C=CCC[C@H](NC[C@@H](C)Oc1ccccc1F)C1CC1 438988276 CKSBAKCGCUIEKY-CJNGLKHVSA-N 277.383 3.927 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)C(F)F)cc1 433038395 GMPXDGCUPNJBEQ-OAHLLOKOSA-N 272.298 3.654 30 20 CHED CCc1cnc(SCc2ccc(C#N)cc2Cl)[nH]1 438888663 WFVPIKGRIXWUHL-UHFFFAOYSA-N 277.780 3.789 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 248167218 PCAHSGQQAVDFGF-XJKSGUPXSA-N 293.382 3.620 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1cc2ccccc2[nH]1 432576321 CJDOQPDLWFYMNS-UHFFFAOYSA-N 285.391 3.569 30 20 CHED O=C1CCCc2ccc(NCC#Cc3ccc(F)cc3)cc21 433500807 JOZPFOQEXLKYBZ-UHFFFAOYSA-N 293.341 3.808 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2ccc3[nH]ccc3c2)no1 345863469 BIEGPKDLAIGIRH-UHFFFAOYSA-N 290.282 3.658 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@H](C2CC2)C1 436295760 ZTIDGKUMKBOSDK-YVSFHVDLSA-N 263.425 3.526 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 344341318 YGDIYFQFLWOKIX-RYUDHWBXSA-N 296.292 3.670 30 20 CHED Cc1c(Cl)cnc(N2CC(C)(C)[C@@H]2C(C)C)c1C#N 431504970 AFAJJJUNCXHTJK-ZDUSSCGKSA-N 277.799 3.786 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@H]1c1ccc(Cl)s1 345801200 UHVSOVFUZMDYEE-MXWKQRLJSA-N 296.823 3.513 30 20 CHED C[C@H](CCC#N)CNc1ccc(Br)cc1 602428453 NSXZIYZNMLSBFQ-SNVBAGLBSA-N 267.170 3.801 30 20 CHED C[C@@H](C(=O)N(C)c1ccc(C#N)cc1)c1cccc(Cl)c1 439934584 QOSOPKQADUBFQH-GFCCVEGCSA-N 298.773 3.978 30 20 CHED CCON(Cc1ccccc1)Cc1ccc(C#N)s1 1329884888 VNSHYSOEYYHQFL-UHFFFAOYSA-N 272.373 3.573 30 20 CHED C[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 340888068 PHRNHDCMYIZRHQ-JSGCOSHPSA-N 285.391 3.656 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C\c2ccncc2C#N)cc1 349109261 MJWBPHGPRYGZKQ-SREVYHEPSA-N 286.338 3.822 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H](C)C(C)(C)C)cc1C#N 435357419 LEASGZSHMKYHFJ-LBPRGKRZSA-N 288.391 3.966 30 20 CHED C[C@@H](NCc1ccc2c(c1)COC2)c1ccc(C#N)c(F)c1 346179998 LOZWVHMVQPLZSU-GFCCVEGCSA-N 296.345 3.578 30 20 CHED N#Cc1c(F)cccc1[S@](=O)CCC1=CCCCC1 522014135 PEAMEDPABIQLFM-LJQANCHMSA-N 277.364 3.695 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2ccccc2n1 343251002 OZKDHUAJAHEMDE-CYBMUJFWSA-N 268.360 3.709 30 20 CHED CC(C)c1ccoc1C(=O)Nc1ccccc1CC#N 344380305 DPKNHZXMCHRVEM-UHFFFAOYSA-N 268.316 3.721 30 20 CHED CCN(C(=O)[C@@H]1CC=CCC1)[C@H](C)c1ccc(C#N)cc1 252016398 VUENUKYJAGGYAH-RHSMWYFYSA-N 282.387 3.824 30 20 CHED CCC[C@@H](C)CC(=O)Nc1scc(C)c1C#N 344886281 CXWLBIMEUXCOHU-SECBINFHSA-N 250.367 3.693 30 20 CHED COc1cc(SC)ccc1NC[C@H](C)CCC#N 602636062 DQFAGWSPRDCWSV-LLVKDONJSA-N 264.394 3.769 30 20 CHED C=CCN(Cc1ccc(OC)c(Br)c1)C1CC1 542692119 YYUKZIMBWKLCJS-UHFFFAOYSA-N 296.208 3.608 30 20 CHED C=CC[C@H](C)NC(=O)NCCSc1ccc(Cl)cc1 604895395 VPOBZNYQPOBUEU-NSHDSACASA-N 298.839 3.696 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C)cc2O)CCCC1(C)C 443868442 NLHRCMOPWUFORC-MRXNPFEDSA-N 287.403 3.908 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccc(CC)o2)ccc1O 255089854 UOHIDNXKSAZPHB-YVMONPNESA-N 286.327 3.842 30 20 CHED C=CCN(C(=O)c1cc2cc(C)ccc2nc1C)C1CC1 357944023 HRPSPVZFYPJJNC-UHFFFAOYSA-N 280.371 3.642 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN1CCCC(C)(C)[C@@H]1C#N 444720953 QMOBBIFNIAJJHX-PMPSAXMXSA-N 278.440 3.596 30 20 CHED C[C@@]1(C(=O)Nc2ccc(C#N)cc2)CCc2ccccc2C1 443837501 OCHJPXMBYGIRBS-LJQANCHMSA-N 290.366 3.692 30 20 CHED CCCc1sc(C(=O)Nc2ccncc2C#N)cc1CC 358628304 KJNUIWSDJVCBDF-UHFFFAOYSA-N 299.399 3.782 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(c3ccc(F)cc3)CCCC2)C1 442719596 QMHKYLXQMIQNCS-WMLDXEAASA-N 286.394 3.919 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1NC1CCC(C)(C#N)CC1 449258586 QDUWNSSDFQYVRA-YZUHTNEWSA-N 278.440 3.642 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H](c2ccc(F)cc2)C1 268022547 JNHKUMLBTUIJPY-OAHLLOKOSA-N 274.383 3.945 30 20 CHED CCC[C@@H](C)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 354569558 LCMMCGQQNALUJG-GDBMZVCRSA-N 272.392 3.721 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)c(C)c1 449981288 NEKGLJPMNJCVMP-YPMHNXCESA-N 299.292 3.543 30 20 CHED N#Cc1cc(N(C#N)CCSc2ccccc2)ccc1F 537349250 JKFATTXPPFMCPN-UHFFFAOYSA-N 297.358 3.777 30 20 CHED CCCCCCCCOCC(=O)Nc1c(C)noc1C 265872882 HJEFPIDAUWBSMY-UHFFFAOYSA-N 282.384 3.607 30 20 CHED C=CCOCC(=O)Nc1ccc2c(c1)oc1ccccc12 354659248 MDJAJNQIJUJZFH-UHFFFAOYSA-N 281.311 3.727 30 20 CHED C=CCOc1ccc(CNC(=O)C2CCC3(CC2)CC3)cc1 614679438 LHLMCPYDNRUYPK-UHFFFAOYSA-N 299.414 3.838 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1 619365136 BQTBYHGWWVOAOD-BBWFWOEESA-N 269.388 3.605 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@H](C)C[C@H](C)C1 538283253 SGJNQLBLUIGAID-HOTGVXAUSA-N 281.440 3.644 30 20 CHED C[C@H](c1ccc(F)cc1F)N1CCC[C@@](C)(C#N)C1 612164747 HTRLJTHWKTYYDI-ABAIWWIYSA-N 264.319 3.651 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](C)NC(C)(C)CC)CCCC1(C)C 444629015 BWRRTXYAPWGLOX-LSDHHAIUSA-N 294.483 3.746 30 20 CHED C=C(C)CN1CCC(NC(=O)[C@H](CCC)CC(C)C)CC1 449843840 JHHKQNIDMWFHOA-MRXNPFEDSA-N 294.483 3.606 30 20 CHED C=CCCCCNC(=O)c1cccc(OC)c1OC(C)C 613595147 FZIROWPQSZVLOG-UHFFFAOYSA-N 291.391 3.569 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[C@@H](C)C1 444151421 UEAHHQBHNVQVKT-CHWSQXEVSA-N 278.421 3.634 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C1CCCCC1 530654124 WUNLHDRWSUCPLE-AEFFLSMTSA-N 298.430 3.844 30 20 CHED C=CCCC[C@H](C)NC(=O)CSc1ccccc1OC 537228021 BBEXRTVQVFDIRW-ZDUSSCGKSA-N 293.432 3.648 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@H]1Cc1ccccc1 455362640 GMWDIMBTICLNDH-INIZCTEOSA-N 286.419 3.615 30 20 CHED C[C@H](CCCC(F)(F)F)N[C@H]1CCC[C@@H](C#N)C1 618578086 YPFFDHXPFIJABA-UTUOFQBUSA-N 262.319 3.779 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 611433173 OWLQMSFCZAMTDF-SECBINFHSA-N 269.175 3.948 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](c2ccncc2)C(C)C)c1 456974170 XMTOWZGWROCBID-KRWDZBQOSA-N 293.370 3.640 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1c(F)cccc1Cl 454600261 UYPWDTFASYNADE-JTQLQIEISA-N 284.762 3.806 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cccc(OCC#N)c1 266351414 HLABHCBGIBXGGY-CHWSQXEVSA-N 289.379 3.535 30 20 CHED N#Cc1cccnc1NCc1ccc(-c2ccncc2)cc1 369397214 FADUMATXFKVXJF-UHFFFAOYSA-N 286.338 3.627 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)C2(CCC2)C1 537186195 LXFYHZLYNDHQRC-GJZGRUSLSA-N 278.440 3.953 30 20 CHED Cc1cccc(CN(C)CC#Cc2ccc(F)cc2)c1 533321796 WNBDKQJNTKPDNJ-UHFFFAOYSA-N 267.347 3.618 30 20 CHED N#Cc1ccc(CNC[C@@H]2CC=CCC2)cc1Cl 619748514 HCKOWFKATNTBFT-GFCCVEGCSA-N 260.768 3.658 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 457588527 VCENQNOBTKYWCC-RBSFLKMASA-N 291.439 3.536 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccn(C)c1-c1ccccc1 614134668 WQOLYSXQJZEQFN-INIZCTEOSA-N 294.398 3.873 30 20 CHED Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1CN(C)C 459757424 KPKBQLQHRZWSAN-ZBFHGGJFSA-N 271.408 3.551 30 20 CHED C=CC(C)(C)c1nc(Cc2c[nH]c3cccc(C)c23)no1 453103670 BQGMEPVXPFAXGK-UHFFFAOYSA-N 281.359 3.914 30 20 CHED C=CCCC1(C(=O)Nc2cccc3ncccc23)CC1 361458782 SUWWKHONWJUOPL-UHFFFAOYSA-N 266.344 3.920 30 20 CHED CC1(CN[C@H]2CCCCc3cc(C#N)ccc32)CCOCC1 360646388 IIHMDNCOUQHEEB-SFHVURJKSA-N 298.430 3.732 30 20 CHED N#CCCN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 278836299 ZDMPANQIYSZGEV-TZMCWYRMSA-N 282.309 3.845 30 20 CHED CC(C)[C@@H](CC(=O)NCC(C)(C)CC#N)c1ccccc1 457994984 PLBTWRGOCLIXHD-MRXNPFEDSA-N 286.419 3.872 30 20 CHED CO[C@@H](c1ccccc1F)[C@H](C)NCc1cccc(C#N)c1 272091291 SWQQSGFKDJIYQT-SCLBCKFNSA-N 298.361 3.563 30 20 CHED C=C[C@@H](CC(=O)N1CCC(=C)CC1)c1ccccc1 270278465 ILVHOYCORXAZLX-HNNXBMFYSA-N 255.361 3.525 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 450113338 KUXJNOFUTCPZLD-MAUKXSAKSA-N 288.435 3.745 30 20 CHED CC#CCCNC(=O)CCC(=O)c1ccc(CCCC)cc1 543607535 JKQOPQOTRCHJHT-UHFFFAOYSA-N 299.414 3.522 30 20 CHED COC[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543869760 DRUKDMOIRGWSPM-HUUCEWRRSA-N 294.398 3.911 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H](C)c2cccnc2)c1C#N 273425489 ZMRMWYCLBCVQFG-NSHDSACASA-N 286.766 3.508 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(-c2ccccc2F)o1 271121324 HYMRLUWMDXDKLK-LBPRGKRZSA-N 272.323 3.677 30 20 CHED C=CCN(C(=O)Cc1ccccc1OC1CCCC1)C1CC1 457696976 QCLCXBZFLZUHNY-UHFFFAOYSA-N 299.414 3.728 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](CC)c1ccccc1OC 455310999 FCBHNLYAVGPBCS-HNNXBMFYSA-N 290.407 3.754 30 20 CHED C=CCC1(C(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)CCCC1 452148213 KOXUYVKOGCEKJX-YHUYYLMFSA-N 273.420 3.627 30 20 CHED C=CCC1(NC(=O)c2sc(C)nc2C)CCCCC1 456382524 NNORORLTZNLPJU-UHFFFAOYSA-N 278.421 3.769 30 20 CHED CC#CC(=O)Nc1ccc(SC(C)(C)C)cc1C 277288990 ACAREPCRQSDXEK-UHFFFAOYSA-N 261.390 3.847 30 20 CHED COc1cncc(CSc2ccc(C#N)cc2Cl)c1 361015709 VFYJJWRUFHIVRS-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=C(C)CCNC(=O)Cc1cc(Cl)cc(Cl)c1 627621744 GZYMELDKILPXMP-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C=CCN(C(=O)C[C@H]1CCO[C@H](CC)C1)c1ccccc1 273017405 WOLKSBTYQSTLKK-DOTOQJQBSA-N 287.403 3.801 30 20 CHED C=CCN(C(=O)NCC1(C)CCCCCC1)C1CC1 540714430 LZHTVFJZJPYELM-UHFFFAOYSA-N 264.413 3.707 30 20 CHED C=CCC1(C(=O)N(C)C[C@H]2OCCc3ccccc32)CCC1 276624521 OWCVUXNMLATPKZ-QGZVFWFLSA-N 299.414 3.505 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCCN(CC(C)C)C1)C1CC1 540147720 PWPVSUASAPKXII-FUHWJXTLSA-N 278.484 3.689 30 20 CHED C=C(CC)CSc1nnc(-c2ccccc2OC)o1 540211676 SEFDWUUTSSLGER-UHFFFAOYSA-N 276.361 3.804 30 20 CHED C=CCN(C(=O)[C@@H](OCC)c1ccccc1)C(C)(C)C 622943974 ZKRGTCDHAFYDTO-HNNXBMFYSA-N 275.392 3.577 30 20 CHED CC(C)c1ccoc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 284161642 JXLAATOIJWPMBA-LRDDRELGSA-N 274.364 3.605 30 20 CHED Cc1ccc(CN=c2c(C#N)c[nH]c3ccccc23)c(C)c1 462775111 GQPSPTBOKOUKIL-UHFFFAOYSA-N 287.366 3.757 30 20 CHED C=CCN(CC=C)C(=O)C1(c2ccc(C)c(OC)c2)CCC1 463265796 LJXSMLPJKLYKTO-UHFFFAOYSA-N 299.414 3.626 30 20 CHED C[C@H]1CCC[C@@H]1CNC1CCN(c2ccc(C#N)cc2)CC1 552260634 LLCRSLKWAUWGRB-DOTOQJQBSA-N 297.446 3.553 30 20 CHED N#Cc1ccnc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 283412018 ABHILYKUNQUGDW-FUHWJXTLSA-N 293.370 3.533 30 20 CHED C=C[C@@H](C)NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 465116042 CVSYNWFPIFUCQH-SNVBAGLBSA-N 285.309 3.674 30 20 CHED C[C@H]1CC[C@@H](c2ccccc2)N(c2ncccc2C#N)C1 553337740 TVHYQOMIBBSYJO-YOEHRIQHSA-N 277.371 3.931 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C[C@H]1C 552161791 WNXDTOSADFWNQX-NQBHXWOUSA-N 290.794 3.766 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cc(Cl)ccc1C 467006467 VGLABDKXBMARIE-HNNXBMFYSA-N 265.784 3.867 30 20 CHED CC(C)(C#N)CCNc1cc([N+](=O)[O-])ccc1OC(F)F 288761769 SIWHTKVIVGQMEU-UHFFFAOYSA-N 299.277 3.548 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccco1 286048629 KYLJIXXGEXMFKY-JKSUJKDBSA-N 289.350 3.749 30 20 CHED C=CCC[C@H](NC[C@@H]1CSCCS1)c1ccco1 286368374 ZMYJFCIEPUIRHZ-OLZOCXBDSA-N 283.462 3.725 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cc2ccccc2[nH]1 557654563 YKYUWZBMPHOVHN-CYBMUJFWSA-N 285.391 3.712 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(C2CCC2)cc1 464710882 LQNLZVUOFNRVFR-HNNXBMFYSA-N 270.376 3.622 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2ccccc2o1 282335175 OKPWAGVGGRQWBK-MBNYWOFBSA-N 254.333 3.776 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc2ccc(OC)cc2c1 284864728 DRXUCHKFGFJXNQ-KRWDZBQOSA-N 283.327 3.694 30 20 CHED Cc1cc(C)cc([C@@H](C)N=c2[nH]ccc(C#N)c2Cl)c1 557585197 PQWNGAFSBMXENI-GFCCVEGCSA-N 285.778 3.819 30 20 CHED N#Cc1sc(N2CCc3c(F)cccc32)nc1Cl 804615399 PCWZGRGXMVVQSL-UHFFFAOYSA-N 279.727 3.501 30 20 CHED CC[C@@H](Sc1ccc(C#N)cc1)C(=O)OC(C)(C)C 478711187 DIEOWSGJFPHKOR-CYBMUJFWSA-N 277.389 3.771 30 20 CHED CO[C@@H](CN(CCC#N)CC(C)C)c1ccc(Cl)cc1 801517488 HNLFWXLFHPWTSC-INIZCTEOSA-N 294.826 3.899 30 20 CHED C=CCSCCNC(=O)c1cc(C)c(Cl)cc1C 475322289 OSFVLANMSRHNQB-UHFFFAOYSA-N 283.824 3.606 30 20 CHED CSCCCCC(=O)Oc1cc(C)c(C#N)c(C)c1C 809036508 ZETDSJRWGRXBQB-UHFFFAOYSA-N 291.416 3.922 30 20 CHED C=CCC(C)(C)c1noc(CCc2ccccc2)n1 560024434 VAZKDUPWBFRLEX-UHFFFAOYSA-N 256.349 3.709 30 20 CHED C#Cc1ccc(CN2CCCC[C@@H]2c2cccn2C)cc1 809591645 FLVFMHPDZIMDND-LJQANCHMSA-N 278.399 3.734 30 20 CHED C=CC(C)(C)C(=O)Nc1cnn(CCC(C)C)c1CC 295226295 YLNGSEUYCLRQMS-UHFFFAOYSA-N 277.412 3.642 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(OCCC)c(Cl)c1 806220377 BASMAEDHDFAZCU-LLVKDONJSA-N 294.782 3.662 30 20 CHED CC(C)(C(=O)O[C@@H]1C=CCCC1)c1cc(F)cc(C#N)c1 803923889 CNZDIBDQCYGZAA-OAHLLOKOSA-N 287.334 3.627 30 20 CHED C=CCCCC(=O)NCCCOc1c(C)cccc1C 479556942 WVUAIQCAPIRNQO-UHFFFAOYSA-N 275.392 3.545 30 20 CHED C[C@@H]1CCCC(=NNc2nccnc2C2CCC2)C1 807992239 DOIDQETZNBKOOX-LLVKDONJSA-N 258.369 3.722 30 20 CHED C=CCOCCS[C@@H](C)c1c(F)cccc1F 565128892 MSURKOYMFFRVKR-JTQLQIEISA-N 258.333 3.962 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](c2cccc(C)c2)C1 294999141 RPONYQBBDXISBV-OAHLLOKOSA-N 257.377 3.523 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)[C@@H]2CC2(F)F)s1 297661340 FEEJNAFVBYFWOO-QMMMGPOBSA-N 284.331 3.511 30 20 CHED C=CCCCCCCCCNC(=O)[C@H]1CCCCO1 805278233 VRCCIUWGLDKOEF-OAHLLOKOSA-N 267.413 3.588 30 20 CHED C=CCCCCCCNC(=O)C(C)(C)c1ccccn1 805222027 PBWCWPILHLJYQW-UHFFFAOYSA-N 274.408 3.612 30 20 CHED CC(C)c1ccc([C@H]2CCCN2CCO[C@@H](C)C#N)cc1 801935540 AAQVXLBAZXFPKJ-MAUKXSAKSA-N 286.419 3.876 30 20 CHED COc1cc(Cl)ccc1NC(=O)CCCCCC#N 807273680 XWHLKSOHCCLSGR-UHFFFAOYSA-N 280.755 3.761 30 20 CHED C=CCOCCCN1CCC[C@@H]1Cc1ccc(C)cc1 470763966 FGEDCSTUMTWDCA-GOSISDBHSA-N 273.420 3.595 30 20 CHED C[C@H](N[C@H]1CCc2nc(Cl)ccc21)c1ccc(C#N)cc1 806133680 PRVDSGZWJIDOLC-NHYWBVRUSA-N 297.789 3.945 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCSc2c(F)cccc21 294553678 WBJIVTIKGUZPNP-LBPRGKRZSA-N 279.380 3.691 30 20 CHED C=CCCCCCCNCc1cnc2c(C)cccn12 808419636 VSEOPOJQOUWYJB-UHFFFAOYSA-N 271.408 3.869 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NOCCC1CC1 814245538 WTGBSLCEGDDFQV-UHFFFAOYSA-N 271.364 3.688 30 20 CHED C[C@H](NN=Cc1cnc(C(C)(C)C)s1)c1ccncc1 819815647 SUXJZXGUJIYIOK-NSHDSACASA-N 288.420 3.520 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)c1ccccc1Cl 812891923 BBHKDRXTLSHNGY-UHFFFAOYSA-N 297.785 3.917 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)c(C)c2)cc1O 811698865 VTLKNVAQVGFFCQ-DAXSKMNVSA-N 286.302 3.744 30 20 CHED CCC(=NNc1cc(Cl)nc(Cl)c1)C1CC1 819831366 LSJCHBZUUVBHFA-UHFFFAOYSA-N 258.152 3.976 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc2nc(O)[nH]c2c1 812435595 OJQMAUWYXUJEOY-UHFFFAOYSA-N 294.358 3.721 30 20 CHED C=C(C)CN(C)C(=O)NCCCCCOC1CCCCC1 486947880 LPQKVJNIGYFCRK-UHFFFAOYSA-N 296.455 3.724 30 20 CHED CC[C@@H](N=c1ccc(C#N)c(C)[nH]1)c1ccc(F)cc1F 488105430 VLQFQLXPLCMFJG-OAHLLOKOSA-N 287.313 3.525 30 20 CHED Clc1ccc2c(c1)C(=NNC[C@@H]1CCSC1)CCC2 811658582 HGUOFUHKZYJDPT-NSHDSACASA-N 294.851 3.723 30 20 CHED C[C@H](COCc1ccccc1)COc1cccc(C#N)c1 719612737 QSQYMJZXSSZEPX-OAHLLOKOSA-N 281.355 3.790 30 20 CHED c1ccc(C(CC2CC2)=NNC[C@H]2CCSC2)cc1 811658468 KNEKJLLCPJTDDT-CQSZACIVSA-N 274.433 3.534 30 20 CHED CCOc1ccc(C#N)cc1NCCc1ccc(OC)cc1 486150022 VMCGSCOLZNASDC-UHFFFAOYSA-N 296.370 3.620 30 20 CHED CC(=NN[C@H](C)c1ccncc1)C1CCC(F)(F)CC1 819816570 LIFSNSADDAVIBF-GFCCVEGCSA-N 281.350 3.934 30 20 CHED N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)C2CC2)s1 573706437 WKJDGTLBKDNSGI-OAHLLOKOSA-N 296.395 3.543 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC3(CC3)C2)c(Cl)c1 814833138 ZGLXAOCBQSZRED-UHFFFAOYSA-N 265.700 3.590 30 20 CHED C#Cc1ccc(CN2CC(C)(C)[C@H]2c2cccnc2)cc1 814171243 MIWJNSNWUFGZFE-GOSISDBHSA-N 276.383 3.646 30 20 CHED CCCC(=NNC(=S)Nc1ccccc1)c1ccccn1 814714108 RSSWICXXEQVVCJ-UHFFFAOYSA-N 298.415 3.572 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cscn1 571741952 KZCCFPNHXVOLAZ-ZFWWWQNUSA-N 272.417 3.981 30 20 CHED O=C(Nc1cccc(C#Cc2cccs2)c1)C(F)(F)F 725881915 RUFFLVHJSFOTIH-UHFFFAOYSA-N 295.285 3.649 30 20 CHED CS(C)(=O)=Nc1ccc(NCc2ccc(C#N)cc2)cc1 821212331 CLKDMTLRRFXCBZ-UHFFFAOYSA-N 299.399 3.529 30 20 CHED Cc1cc(C(=O)OCc2ccc(C#N)cc2F)ccc1F 728996458 SUYONDOQRFJMIX-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(CC)CCC#N 728611533 MECZORUOEXOMCI-CQSZACIVSA-N 252.402 3.745 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC2(CCC2)[C@H]1C(C)C 820216843 YBPFEPKREUFQOA-MRXNPFEDSA-N 282.387 3.517 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N(C)C1(C#N)CCC1 577731901 YNSVDVNQFRNQMA-AWEZNQCLSA-N 262.397 3.664 30 20 CHED CC(C)C#CC(=O)N[C@@H](c1ccccc1F)C1CCCC1 829949552 ZGOKCZGVFWWPBC-GOSISDBHSA-N 287.378 3.833 30 20 CHED N#C[C@H]1CCC[C@@H](NC2[C@H]3CC[C@H]2Cc2ccccc2C3)C1 588231252 WRQSVNOJJMFSQG-UDTPNQRGSA-N 294.442 3.852 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 589341739 NVJYTNCGWUMMFI-HWPZZCPQSA-N 281.359 3.501 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C)c(C(C)=O)c1)OCC 582973466 ZVLXRGNPUNDUAX-INIZCTEOSA-N 289.375 3.507 30 20 CHED C[C@H](C#N)OC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 738740293 FQTZVYGVSSPLTO-NXEZZACHSA-N 285.265 3.654 30 20 CHED O=C(/C=C\c1cccnc1)c1cc(Cl)c(Cl)cc1O 588594526 RAYVTASDSCXHLG-ARJAWSKDSA-N 294.137 3.990 30 20 CHED C[C@@H](C#N)OC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 738740306 FQTZVYGVSSPLTO-UWVGGRQHSA-N 285.265 3.654 30 20 CHED N#Cc1ccccc1COC(=O)/C=C\C1CCCCC1 735564404 WLNAJAXNUCJGHI-KHPPLWFESA-N 269.344 3.738 30 20 CHED CC(C)(C#N)c1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 839060836 YXUSACVWICUBLO-BBRMVZONSA-N 296.370 3.727 30 20 CHED C=C(C)[C@H](NC(=O)C(F)(F)CC)c1ccc(F)c(F)c1 832370590 YWSWDHWPDDKJHR-LBPRGKRZSA-N 289.272 3.744 30 20 CHED Cc1[nH]c(C#N)cc1-c1nc(-c2cccc(Cl)c2)no1 904289342 UZYHKCFCRISSSR-UHFFFAOYSA-N 284.706 3.565 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2ccc(F)cc2Cl)C1 839449269 MSDONTPJGXJOHW-ZWNOBZJWSA-N 295.741 3.647 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C)cc1OCCC 736966658 HWMNGIHPKBMMOT-UHFFFAOYSA-N 282.771 3.658 30 20 CHED C=CCN(Cc1nccn1-c1ccccc1)C(C)(C)C 661760433 SMKPBSCJCDVTPS-UHFFFAOYSA-N 269.392 3.659 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc(C3CC3)cc2)nn1 901528749 IXUMHPWMPYNTIV-BJMVGYQFSA-N 281.359 3.633 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839060298 ZRPMPSUYGSBQGQ-HBNTYKKESA-N 277.286 3.591 30 20 CHED C=CCN(C(=O)c1ccnc(-c2ccco2)c1)C(C)(C)C 906033008 BFGCMUMVRXOYQQ-UHFFFAOYSA-N 284.359 3.768 30 20 CHED Cc1ccc2oc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)cc2c1 839047960 KCCCTCIAWMUOQP-OCCSQVGLSA-N 283.327 3.980 30 20 CHED C=CCCN(C)C(=O)NC1CCC(C2CCC2)CC1 667202081 CXUDFBOLRYMCTE-UHFFFAOYSA-N 264.413 3.563 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)Cc1ccc(C)s1 737440183 FEUHNVMPFSHXGW-JDAJCMJVSA-N 289.400 3.821 30 20 CHED Cc1ccoc1CN(C)c1nc(C(C)(C)C)ccc1C#N 589877516 LGPVGXVSTAMPAX-UHFFFAOYSA-N 283.375 3.789 30 20 CHED CC1CCC(=CC(=O)OCc2cc(C#N)ccc2F)CC1 734203342 TVZRFXLNGCOKEY-UHFFFAOYSA-N 287.334 3.877 30 20 CHED COc1cccc(/C=N\[C@@H]2CCc3ccc(F)cc32)c1O 730146860 HMEDWWRCGYLOKB-SMLKNPDNSA-N 285.318 3.646 30 20 CHED CSc1ccccc1CC(=O)O[C@@H]1CCC[C@H](C#N)C1 839450267 RPPYSBJJBCRWLK-GXTWGEPZSA-N 289.400 3.577 30 20 CHED CCCCCCCCc1nnc(NC(=O)[C@H](C)C#N)s1 735846034 PNAIHEUUPNUADP-LLVKDONJSA-N 294.424 3.539 30 20 CHED CCCCCCCCCC(=O)OC1CCS(=O)CC1 836114372 CDJDVWMITMBYDF-UHFFFAOYSA-N 288.453 3.581 30 20 CHED Cc1scc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1C 839055573 OBBJBDDLRDIJHK-NWDGAFQWSA-N 263.362 3.604 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2CCCC[C@@H]21 594053808 BXMXVZMSQQXXHB-JLSDUUJJSA-N 296.414 3.528 30 20 CHED C#CCCCCC(=O)O[C@@H](CC)c1ccnc(Cl)c1 838914803 IXVJMECFCCOYJB-ZDUSSCGKSA-N 279.767 3.923 30 20 CHED C[C@@H](CCC#N)CN1CCC(Cc2ccccc2)CC1 590592891 BLEHOGOUWNVCAR-INIZCTEOSA-N 270.420 3.881 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 594090270 SWEURKKFQMBCBQ-SQNIBIBYSA-N 292.382 3.704 30 20 CHED C=CC[C@H](NC(=O)N1C[C@H](C)C[C@@H]1CC)c1ccncc1 745829392 ZCUSDBFVURWINU-KBMXLJTQSA-N 287.407 3.529 30 20 CHED Cc1ncsc1CCON=Cc1ccc(Cl)cc1 748097226 HBIATDNSJSIOFM-UHFFFAOYSA-N 280.780 3.698 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@@H]2CCCC[C@H]2C)n1 598855294 XCGKVGCOSLNTPH-RISCZKNCSA-N 285.391 3.725 30 20 CHED Cc1cc(C)cc(CC(=O)Nc2scc(C)c2C#N)c1 598836752 QOKRGMYJYBBKCC-UHFFFAOYSA-N 284.384 3.726 30 20 CHED CC(=NN(C)C[C@H](C)O)c1ccc(C2CCCCC2)cc1 841655341 XCURGLZHBOAPRB-AWEZNQCLSA-N 288.435 3.771 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C=C(/C)c1ccccc1Cl 847169568 WPFCRRYURGFWSD-UCQJPZFISA-N 276.767 3.504 30 20 CHED C=C(Cl)CN1CCC[C@H](Cc2ccc(OC)cc2)C1 741810250 JKIMWGDCWYSBRF-OAHLLOKOSA-N 279.811 3.702 30 20 CHED CCCCCCCCCN(C)C(=S)NCCC 918723272 MTRCHCCAXWIFOU-UHFFFAOYSA-N 258.475 3.953 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 597994469 IKJCIADRSRKPBR-LBPRGKRZSA-N 288.778 3.640 30 20 CHED CCC#C[C@H](C)N1CCO[C@H](c2ccccc2Cl)C1 677048168 OJJMJNAOJKHZOB-BBRMVZONSA-N 277.795 3.515 30 20 CHED CC[C@H](C)NC(=S)N(CC)[C@H](C)c1ccc(C#N)cc1 749763979 BPTVYIVWTXCWCD-QWHCGFSZSA-N 289.448 3.614 30 20 CHED Cc1cc(F)c(C=NN[C@H]2CCOC(C)(C)C2)c(Cl)c1 841632035 CKJHRRDGIUIZEZ-NSHDSACASA-N 298.789 3.669 30 20 CHED CCCC(C)(C)C(=O)N[C@H](C)c1cccc(C#N)c1 593085200 YUOGQGATPQYVIT-GFCCVEGCSA-N 258.365 3.562 30 20 CHED C=C(Cl)COC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 917312860 SSUYLCFVYPIEHF-JTQLQIEISA-N 289.158 3.711 30 20 CHED C#C[C@H](OC(=O)[C@]1(C)CC=CCC1)c1ccccc1 842363741 OLNVGFWLKBZVGH-DOTOQJQBSA-N 254.329 3.651 30 20 CHED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(C#N)cc1 596739807 BHULSPIYDHGAGW-CQSZACIVSA-N 295.386 3.600 30 20 CHED CC(=NN=C(C)[C@@H]1C[C@H]1c1cccs1)c1cnccn1 841628295 SJDIKPXKUZMNPH-QWHCGFSZSA-N 284.388 3.527 30 20 CHED S=C(NN=C1CCCc2ccccc21)Nc1ccccc1 915923911 VOVRJEMIJVYBBQ-UHFFFAOYSA-N 295.411 3.714 30 20 CHED CCCCCCCC(=O)Nc1ccc(=O)n(CCC)c1 918116052 QRNDRSKKFQXNPL-UHFFFAOYSA-N 278.396 3.557 30 20 CHED C=CC[C@H](NC(=O)N1CC(C)(C)C[C@@H]1C)c1ccncc1 840299827 GWGFQZKJMAKZDU-ZFWWWQNUSA-N 287.407 3.529 30 20 CHED CC(C)(CC#N)CN[C@H]1CCc2cccc(Cl)c2C1 591243333 PHRDACIBYNZYMX-ZDUSSCGKSA-N 276.811 3.727 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](C)c2ccc(OC)cc2)c1 745625203 UIESZVWRWMJIJN-QXGSTRBFSA-N 299.370 3.980 30 20 CHED CCc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CC#N)C2)cc1 595425511 FWMSDWJFAAXTGJ-HOCLYGCPSA-N 299.418 3.645 30 20 CHED CCC(=NNC(=S)Nc1cc(C)ccc1F)C1CC1 741162545 GTSPAVGGCDWPHW-UHFFFAOYSA-N 279.384 3.597 30 20 CHED CCCCCCCCC(=O)N1CCC([C@@H](C)CO)CC1 846480155 SLIRLXBBFMTSJK-HNNXBMFYSA-N 283.456 3.604 30 20 CHED CCCCN(C[C@@H](O)CC(C)(C)C#N)C1CCCCC1 598586270 DJGSLAAZOCDCNJ-INIZCTEOSA-N 280.456 3.722 30 20 CHED CCO[C@H](CC)c1noc(C[C@@H](CC#N)c2ccccc2)n1 596619735 AAGVGTITUQOAMK-HUUCEWRRSA-N 299.374 3.797 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)CCCCCC#N)cc1 594030507 BHNJHAGLYKGGJP-KRWDZBQOSA-N 297.402 3.746 30 20 CHED C=C(C)CONC(=O)Nc1cc(C(F)(F)F)ccc1C 844550496 MHJWESQGOLKOPQ-UHFFFAOYSA-N 288.269 3.643 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)s1 590979899 CSWPHAUJJNPANK-KWBADKCTSA-N 274.389 3.557 30 20 CHED CN(CCOC(C)(C)C)CCC1(C#N)CCCCC1 591016268 TUXXUUJXXLAUIQ-UHFFFAOYSA-N 266.429 3.597 30 20 CHED C#CCCCNCc1ccc(OC)c(OCCC(C)C)c1 742382728 IJQHHAABZYBOAH-UHFFFAOYSA-N 289.419 3.623 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](CCC)c1ccc(F)cc1F 845629735 XCISCPBFWRFVQB-HZMBPMFUSA-N 298.333 3.611 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H](CN1CCCC1)c1ccccc1 924604212 LVXNFYDNMHGINP-AEFFLSMTSA-N 299.462 3.741 30 20 CHED C=CCC(C)(C)C(=O)N(Cc1ccccn1)CC(C)C 928736461 HNOWWAJEMBMVJJ-UHFFFAOYSA-N 274.408 3.669 30 20 CHED C=CCCCCNC(=O)C1(c2cccc(C)c2)CCC1 681146191 VRGGIGACJBXKLW-UHFFFAOYSA-N 271.404 3.889 30 20 CHED Cc1ccoc1CC(=O)[C@H](C#N)c1nc(C(C)C)cs1 850874151 UYXPURYAPFFBGC-NSHDSACASA-N 288.372 3.587 30 20 CHED CC(C)n1ccnc1C=NNc1cccc(C(F)(F)F)c1 853257408 YNCVCDSBBXOAMQ-UHFFFAOYSA-N 296.296 3.929 30 20 CHED C[C@@H](C#N)OC(=O)Cc1cc2c(ccc3ccccc32)o1 753444028 QJULNFOGJJILMC-NSHDSACASA-N 279.295 3.584 30 20 CHED Cc1cc(OC(=O)c2cc(C#N)cs2)ccc1Cl 752157621 AMBVITDDSKWNTL-UHFFFAOYSA-N 277.732 3.801 30 20 CHED C=C(C)[C@H](CC(=O)OC[C@@H]1CC=CC[C@@H]1C)OCC 756489349 SRQDUNIFZVTQDS-KKUMJFAQSA-N 266.381 3.503 30 20 CHED Cc1ccc(C=NOCC(F)(F)F)c(Br)c1 753712705 CTALMCXBUOMALE-UHFFFAOYSA-N 296.086 3.670 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1ccccc1 929614008 KVIFRCBFQHDLMB-GDBMZVCRSA-N 257.377 3.952 30 20 CHED CCc1ncc(CN(CC)[C@H](C)c2ccc(C#N)cc2)o1 929330279 DXYUWAVASZBDBM-CYBMUJFWSA-N 283.375 3.692 30 20 CHED N#CC1(CC(=O)OCCCOC2CCCC2)CCCCC1 850786681 OCAUWHBSNRCEDJ-UHFFFAOYSA-N 293.407 3.743 30 20 CHED COc1ccc(C)cc1[C@@H](C)N[C@@H](C)CC(C)(C)C#N 924583117 WURMLCWKJJHKBK-UONOGXRCSA-N 274.408 3.983 30 20 CHED CO[C@@H](CN[C@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 925478499 NHQMFARSVOLRLD-DOMZBBRYSA-N 294.826 3.945 30 20 CHED C=CCC1(NCc2nc3ccccc3[nH]2)CCCC1 850389301 XTYAJTUYOWVCCJ-UHFFFAOYSA-N 255.365 3.541 30 20 CHED CCCCCCCCNC(=O)NC1(C2CC2)CC1 755078852 RYNVGDFKSPRERK-UHFFFAOYSA-N 252.402 3.589 30 20 CHED CCOc1cc(C=NN2CCCC[C@@H]2C)cc(Cl)c1O 853380622 XQOYLJPQTWDRHE-NSHDSACASA-N 296.798 3.653 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(Cl)c2occc12 931299425 DIPRMZIUYWXJRQ-AWEZNQCLSA-N 276.723 3.508 30 20 CHED CCCc1nc(C)c(CON=Cc2ccccc2F)o1 853644114 CSIAXOBRENSUJB-UHFFFAOYSA-N 276.311 3.625 30 20 CHED C#CC[C@H](NC(=O)c1cccc2cc[nH]c12)c1ccccc1 757621416 GEQOSHLQXHAFBB-KRWDZBQOSA-N 288.350 3.662 30 20 CHED C#CCCCC(=O)OCc1c(Cl)ccc2cccnc12 759195139 GLBKVTJSVUIARG-UHFFFAOYSA-N 287.746 3.735 30 20 CHED C[C@H](NN=Cc1csc(C(F)(F)F)c1)C(F)(F)F 863115909 CLKRRTUWNYQRTB-YFKPBYRVSA-N 290.232 3.641 30 20 CHED CCOc1ccc([S@@](=O)CCCCC(C)(C)C#N)cc1 766290281 PEOXKQFXPNQCEM-FQEVSTJZSA-N 293.432 3.913 30 20 CHED Fc1cc(F)c(C=NNCc2ccc(Cl)cc2)cc1F 767791432 FZBMOUHAVOWZFE-UHFFFAOYSA-N 298.695 3.881 30 20 CHED C#CCCCC(=O)N1CCC(c2ccc(CC)cc2)CC1 863491148 KIFVDUBDXVGZHU-UHFFFAOYSA-N 283.415 3.759 30 20 CHED N#Cc1ccsc1NC(=O)N1CC[C@H](C2CCCC2)C1 931834249 WBGGJKXFTYQWBX-ZDUSSCGKSA-N 289.404 3.664 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1c1ccc(O)cc1 934705553 AXVOBESVZKJXQK-XJKSGUPXSA-N 273.376 3.658 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2snc(Cl)c2C#N)C1(C)C 766111457 IPJYNQDQMIRUPM-NXEZZACHSA-N 299.827 3.672 30 20 CHED CON(CCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 932537458 RKKLTDOEZXOCDI-SNVBAGLBSA-N 272.270 3.543 30 20 CHED N#CC1(COC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 768096143 BYFYJVPTVPFPAO-GHMZBOCLSA-N 289.297 3.592 30 20 CHED CCOc1ccc(/C=N\[C@@H]2COc3ccc(C)cc32)c(O)c1 763098376 WQVSEIRETYNPOB-DZGUVLCISA-N 297.354 3.652 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2cncs2)cc1 767777118 SPOMXXSDFRMKTN-LBPRGKRZSA-N 273.405 3.951 30 20 CHED C#CCCCN[C@@H](C)CCc1ccc(OC/C=C\C)cc1 766222733 LISKPRHKOJTNCP-WVRJYTFGSA-N 285.431 3.966 30 20 CHED C#CCCCN(C)Cc1ccc(OC(F)F)c(OCC)c1 766896077 WNOOMWGKGUNGIH-UHFFFAOYSA-N 297.345 3.532 30 20 CHED C=CCC[C@H](NCCC(C)(C)OC)c1ccco1 866505302 XCXGFEPFEKOHCH-ZDUSSCGKSA-N 251.370 3.692 30 20 CHED CCc1cnccc1C(C)=NNc1cc([N+](=O)[O-])ccc1C 765572439 RSBSHRPNIFFFQR-UHFFFAOYSA-N 298.346 3.697 30 20 CHED CCCCCCCS(=O)(=O)Cc1sc(C)nc1C 764746453 XMMNVAAQMJYUDM-UHFFFAOYSA-N 289.466 3.645 30 20 CHED Cc1ccc(Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 1117214777 ZSSHGJUTORUYJQ-UHFFFAOYSA-N 275.311 3.508 30 20 CHED N#CCC1(COC(=O)[C@H]2CCc3c(Cl)cccc32)CC1 776095087 VLHLFPIATKLWEG-ZDUSSCGKSA-N 289.762 3.607 30 20 CHED C=C(CC)COC(=O)c1c(F)cccc1Br 773531958 NHEHAUGECFRTLJ-UHFFFAOYSA-N 287.128 3.711 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)Oc2cc(F)ccc21 779967057 JMMKRLBHCXFQPZ-ZDUSSCGKSA-N 289.350 3.523 30 20 CHED C=C(CC)COC(=O)CCCc1ccc(OC)cc1 773503969 SHOJBFZCOXBYCV-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CC(=NNC[C@H](C)C#N)[C@H](C)c1nc2ccccc2s1 771099360 PQTSOOUSDXIDMX-MNOVXSKESA-N 286.404 3.525 30 20 CHED CCC[C@H](OC(=O)c1c[nH]c(C#N)c1)c1ccccc1 779203616 XHFYKLBUSBYEQZ-HNNXBMFYSA-N 268.316 3.585 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2ccc3c(c2)CCO3)cc1 777038424 OVYMTVSWCXMMKQ-CQSZACIVSA-N 293.366 3.807 30 20 CHED CC[C@H](NCCNc1ccccc1)c1ccc(C#N)cc1 774216549 IAHDIHRROFEEGW-SFHVURJKSA-N 279.387 3.711 30 20 CHED Cc1cc(C#N)ccc1CON=C1CCOc2ccccc21 776744035 ZFGMSKNRMFKHOR-UHFFFAOYSA-N 292.338 3.570 30 20 CHED C#CCC1(C(=O)Nc2ccsc2C)CCCCC1 870688272 LLBYJICUQGDIQK-UHFFFAOYSA-N 261.390 3.969 30 20 CHED CC(=NN=c1cc[nH]cc1)c1cc2cc(Cl)ccc2o1 779808640 FEGWJVXDIJONNK-UHFFFAOYSA-N 285.734 3.739 30 20 CHED C#CCN(Cc1cnc(CC)s1)[C@@H]1CCc2ccccc21 772600165 VQRSMOCCCXRULV-QGZVFWFLSA-N 296.439 3.828 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1cscc1Cl 773158294 ATRQKEBCMJGHQF-NYYWCZLTSA-N 286.743 3.766 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 773312059 PMHMAHUBUXEJSH-FJIDUMEYSA-N 287.447 3.997 30 20 CHED Clc1nc(Cl)c(C=NOC2CCCC2)s1 774607966 JRFOIRVHUQIZKT-UHFFFAOYSA-N 265.165 3.743 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)c2ccco2)cc1 774571606 XSPQBOHJMRPIRR-UHFFFAOYSA-N 299.326 3.541 30 20 CHED CCC(CC)CNN=Cc1c(C)nn(C(C)(C)C)c1C 774474376 ZWWCXVFZBHJWQN-UHFFFAOYSA-N 278.444 3.615 30 20 CHED CC[C@H](Nc1ccccc1)C(=O)OCCCC(C)(C)C#N 783641448 IEVBJOFXYVOQDZ-HNNXBMFYSA-N 288.391 3.750 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)cc1 1129768491 CXWCIVLIIYXTNH-HUUCEWRRSA-N 270.376 3.503 30 20 CHED CC1(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 782120350 WQOHIRFNTDFMDV-UHFFFAOYSA-N 287.241 3.811 30 20 CHED CCCCCCCCNc1cccc(S(C)(=O)=O)c1 103025918 XRHJIPLIOOAPCL-UHFFFAOYSA-N 283.437 3.863 30 20 CHED Cc1cc(CN(CC(C)C)CC(C)C)ccc1C#N 1560714497 NOCNHHCGPXFGNF-UHFFFAOYSA-N 258.409 3.981 30 20 CHED Cc1ccc(CCCON=CC(=O)Nc2ccccc2)cc1 784045551 ZGBFHCGHYSNQKU-UHFFFAOYSA-N 296.370 3.569 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1c1cccc(OC)c1 1120535744 HEVMIFWKXMCAOI-INIZCTEOSA-N 273.376 3.715 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccnc(-c2ccccc2)n1 786637141 ITSLISUOQKGXRF-QGZVFWFLSA-N 281.359 3.684 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccnc(Cl)c1 782193176 FFIWMFLSFIKHAR-NSCUHMNNSA-N 279.748 3.701 30 20 CHED Fc1cc(NN=Cc2ccc(Cl)c(Cl)c2)ccn1 781130143 OPYLOOJRKQSWJA-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C[C@H](C#N)Oc1ccccc1NCCCCCF 789673623 YNKWKZAGTASWBZ-GFCCVEGCSA-N 250.317 3.529 30 20 CHED CCCC(=NNc1ccnc(F)c1)c1ccccc1 781126656 DWYJRUPZTKXSHV-UHFFFAOYSA-N 257.312 3.837 30 20 CHED N#CCc1ccc(C(=O)OCCCc2ccsc2)cc1 783176808 REKRIVXNFKTHOV-UHFFFAOYSA-N 285.368 3.604 30 20 CHED C#CCCCCCC(=O)OC[C@H](C)c1ccc(OC)cc1 780471442 MPPPAWCBLVWBGR-HNNXBMFYSA-N 288.387 3.926 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1cccc(CC(C)C)c1 794900692 BFEADEZSKPLDQD-UHFFFAOYSA-N 296.374 3.889 30 20 CHED FC(F)c1ccc(C=NOCc2cccnc2)cc1 794523708 RPBYKXCVMZYIRU-UHFFFAOYSA-N 262.259 3.570 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CCc1ccsc1 799443336 WAOQMRLUYLWDBA-UHFFFAOYSA-N 285.368 3.720 30 20 CHED C#CCCN1CCC(C)(c2cccc(Cl)c2)CC1 796571484 AJESYXDFKGUJIV-UHFFFAOYSA-N 261.796 3.717 30 20 CHED C=CCC[C@H](N[C@@H](CCO)Cc1ccccc1)c1ccco1 796986529 WWABRVRSLYEQIU-ROUUACIJSA-N 299.414 3.870 30 20 CHED C=C(Cl)CNC(=O)c1ccc(OC(CC)CC)cc1 1136866176 GIXVSDWHBKXKCO-UHFFFAOYSA-N 281.783 3.736 30 20 CHED c1cncc([C@H]2CCCC(=NNC3CCCC3)C2)c1 799878758 XGGAIUZBTCUGIF-ZDUSSCGKSA-N 257.381 3.627 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cnoc1C 799493783 PIFUSPDGODSAFZ-UHFFFAOYSA-N 257.337 3.690 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)oc1C 799897559 QMSOGDYSPQPHKJ-GQCTYLIASA-N 289.262 3.840 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1sc(C)nc1C 793117758 YBTZBNJHIXWNAM-SNVBAGLBSA-N 253.415 3.508 30 20 CHED CSCCON=C(C)c1cc(Br)cs1 794574517 HJKBLCYFFCHMAF-UHFFFAOYSA-N 294.239 3.614 30 20 CHED CSCCON=C(Cc1ccc(F)cc1)C(C)C 794572814 ITPMRXXGKMJLCW-UHFFFAOYSA-N 269.385 3.760 30 20 CHED COc1ccc2c(c1)CCCC2=NNc1ncccc1C 790193236 ZMYCZRAYZMGMJC-UHFFFAOYSA-N 281.359 3.551 30 20 CHED CC(=NNc1ncccc1F)c1cc(C)cc(C)c1 794991215 WUZYYQWIIIYKIC-UHFFFAOYSA-N 257.312 3.674 30 20 CHED Cc1ccc2c(c1)C(=NNc1cccc(F)n1)CCC2 795008840 PBORZGNKISAYGK-UHFFFAOYSA-N 269.323 3.682 30 20 CHED C/C=C/C=C\C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799440059 TUQPCHQYDYZNMD-IAROGAJJSA-N 296.248 3.528 30 20 CHED Cc1cccnc1NN=C1CCC[C@@H](c2cccnc2)C1 799886067 IYXPGGGLFDJLHJ-CQSZACIVSA-N 280.375 3.911 30 20 CHED COc1cccc(C=NNc2cc(C)ccc2F)c1F 799881082 LUCAZJAISBQPLP-UHFFFAOYSA-N 276.286 3.728 30 20 CHED CCN(Cc1ccc(C#N)cc1Cl)[C@@H](C)C(F)(F)F 1307967810 KZQUIUXLSHTNGZ-VIFPVBQESA-N 290.716 3.984 30 20 CHED Cc1cc(C)c(NC(=O)[C@@H](C)SCCC#N)c(C)c1 58256434 HILYOKIHNPZHHV-CYBMUJFWSA-N 276.405 3.586 30 20 CHED C=CCCCCN1C[C@H](C)O[C@@H](c2ccsc2)C1 579916215 FQFYKOWMAMAQKJ-DZGCQCFKSA-N 265.422 3.866 30 20 CHED N#Cc1ccc(OCc2cc(Cl)ccc2[N+](=O)[O-])cc1 72671874 WVEFHIIVELWXBV-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)CCCC#N 1327658230 UOVVBQXVWRQXFA-QLFBSQMISA-N 264.413 3.505 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2c(s1)CCCC2 683844699 ZIZDNSYGUDYRFS-LBPRGKRZSA-N 262.422 3.562 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 593393784 HJKJKBXIEJNREM-BXKDBHETSA-N 294.807 3.543 30 20 CHED Cn1ccc(NN=Cc2sc3ccccc3c2Cl)n1 1321824760 CJCVWSGMNXXBDR-UHFFFAOYSA-N 290.779 3.734 30 20 CHED N#C[C@H](NC(=O)CCc1ccc(Cl)s1)C1CCCC1 1332255955 XSMXWZBKYVFPSA-LBPRGKRZSA-N 296.823 3.533 30 20 CHED C=C(C)CCC(=O)O[C@@H](C)c1ccc(Cl)cn1 1337390021 MUTWWGPNNZAHMZ-JTQLQIEISA-N 253.729 3.696 30 20 CHED N#Cc1cccc(Sc2ccc(C(F)(F)F)cn2)n1 81622172 RZYLBGILIOYIRC-UHFFFAOYSA-N 281.262 3.518 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1nncc(N)c1Cl 1337429348 NYVXXNLPFKRJFM-SECBINFHSA-N 283.807 3.572 30 20 CHED C#CCN(C(=O)c1sc2cccc(F)c2c1C)C1CC1 763799900 AMYYBPRZNMPBGH-UHFFFAOYSA-N 287.359 3.587 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 767072767 QXSUPSBDGVCXCS-UHFFFAOYSA-N 287.256 3.833 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(OC(C)(C)C)cc1 1337581547 SUILOQFBQFSHGJ-AWEZNQCLSA-N 288.391 3.628 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](CSc2ccccc2)C1 1338883487 YXJVQHRLMIJKLN-OAHLLOKOSA-N 289.444 3.984 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(F)c1 94195967 VKGUMFRRLISWFL-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCC[C@@H](NC(=O)c1ocnc1CC)c1ccccc1 1262615727 SNSDRXVSQNWLBE-OAHLLOKOSA-N 284.359 3.674 30 20 CHED C[C@@H]1CC[C@H](C(=O)OCc2cc(C#N)ccc2F)C[C@H]1C 1265727601 QONLVDCVMNYJES-BZPMIXESSA-N 289.350 3.813 30 20 CHED CCCCC[C@H](C(=O)[C@H](C#N)c1nccn1CC)C(C)C 1349714036 PCYPYAKAFGGDLS-GJZGRUSLSA-N 289.423 3.932 30 20 CHED C#CCC1(OC(=O)c2csc(-c3ccco3)n2)CCC1 1343431912 ONRNHWTUWDXLBS-UHFFFAOYSA-N 287.340 3.506 30 20 CHED Cc1cc([C@@H](C)N[C@@H](C#N)c2ccccc2)c(C)o1 1350372011 WXKFJCJCHNPQQS-WBMJQRKESA-N 254.333 3.812 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc3ccccc3o2)c1 1438460312 MJYOVHKANYVYBF-UHFFFAOYSA-N 280.258 3.696 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(C#N)c(F)c1 1527517509 YOXKUOOWDALTGM-UHFFFAOYSA-N 297.333 3.777 30 20 CHED N#Cc1ccc([C@H](SCc2ccccc2)C(=O)O)cc1 1601100059 ZKWYJFNTCIICFO-HNNXBMFYSA-N 283.352 3.617 30 20 CHED Cc1ccc(C(=O)NCc2cc(Cl)ccc2C)cc1C#N 1537251988 WCIHLQHEJYCPRX-UHFFFAOYSA-N 298.773 3.759 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CC1 1476097318 SQNBWRJBFZICHV-WCQYABFASA-N 289.354 3.788 30 20 CHED COc1ccnc(CSc2ccc(Cl)cc2C#N)c1 1613586943 GFEHSDHELWMIOL-UHFFFAOYSA-N 290.775 3.908 30 20 CHED N#Cc1cccc(Br)c1N[C@@H]1C[C@H]1C1CCC1 1559218884 VGYAEDGWOSFQLO-WCQYABFASA-N 291.192 3.921 30 20 CHED CC(C)CN(CCC#N)Cc1cc2ccccc2n1C 1560718055 HEAQNTWRDBAUSG-UHFFFAOYSA-N 269.392 3.550 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C#N)ccc1F 1562915710 QCULMMMMGUPYPB-GXTWGEPZSA-N 289.354 3.788 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)[C@@H]1CCCC[C@H]1C 1642722597 RBZLYCHURKRJOR-RHSMWYFYSA-N 286.419 3.967 30 20 CHED CC1(C)[C@@H](CNc2ccc(C#N)cn2)[C@@H]1c1ccccc1 1640009177 QKLCCDAXUJBENL-RDJZCZTQSA-N 277.371 3.805 30 20 CHED C=C(C)C[C@H](NC(=O)[C@H](CC)CC1CCCCC1)C(=O)O 1588537358 NMKNJUXUBQJYQP-CABCVRRESA-N 295.423 3.519 30 20 CHED CC(C)C(C)(C)S[C@H](C(=O)O)c1ccc(C#N)cc1 1590968597 RDGLZYKBNOWGRQ-ZDUSSCGKSA-N 277.389 3.852 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)Cc2cccs2)c1 1672282010 NSRZYCJMJZJFDS-UHFFFAOYSA-N 285.372 3.592 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(Cc2ccc(C)cc2Cl)C1 1776161704 VHHLOQCRZXYSLF-MRXNPFEDSA-N 293.794 3.501 30 20 CHED COc1cc(C=NO[C@H](C)c2ccccc2)ccc1C(=O)O 1776083192 QSAWXASLSRCTOO-GFCCVEGCSA-N 299.326 3.505 30 20 CHED O=C(O)c1ccccc1NN=C[C@H]1C[C@H]1c1ccc(F)cc1 1776030964 GGHYAOWXKKNSHO-DOMZBBRYSA-N 298.317 3.725 30 20 CHED COc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1C 206809061 UJFCNGFYUDFRMU-GDNBJRDFSA-N 294.350 3.922 30 20 CHED N#CC1(NC(=O)CC2CCC(c3ccccc3)CC2)CC1 160842600 MKYHRSHPJQXUTF-UHFFFAOYSA-N 282.387 3.523 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H](C)c2ccccc2)c1 5290300 DPERTFFJJXRRAL-RNEAKCBISA-N 269.344 3.623 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccccc1OCC 151965859 SHHKDJWNFNWOBN-LBPRGKRZSA-N 279.405 3.722 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2c(F)cccc2F)s1 7333371 WDAALBXNBOCQHD-SNAWJCMRSA-N 294.278 3.621 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccccc1Cl)C(C)C 154900505 QGZUBPPBXHXROR-AWEZNQCLSA-N 280.799 3.865 30 20 CHED CC(C)c1cccc(NC(=O)N2CCC[C@@H](C#N)C2)c1 929335608 WPPXEFWFUQHIKS-ZDUSSCGKSA-N 271.364 3.577 30 20 CHED C#Cc1cccc(CN[C@@H]2CCc3c(C)cccc32)c1 834902224 FWUWDNMYRMWIBQ-LJQANCHMSA-N 261.368 3.753 30 20 CHED N#CCSCc1nc(-c2cccc(C(F)(F)F)c2)no1 109489515 IUAYDEIBCLEALZ-UHFFFAOYSA-N 299.277 3.512 30 20 CHED COc1ccc(C#N)cc1COc1ccc(C)c(F)c1 226418886 OQCHCMOACKPCIT-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C#CCOc1ccccc1CNc1cc(C)cc(C)c1 21014503 OZVUGHGJIFDEBJ-UHFFFAOYSA-N 265.356 3.928 30 20 CHED C#CCCCN[C@@H](Cc1ccccc1)c1ccccc1 231669592 RQDPWWZLWKMSKM-IBGZPJMESA-N 263.384 3.973 30 20 CHED COc1cc(C#N)cc(OCCSc2ccccc2)c1 234963815 FIDLRWCZWSZDIX-UHFFFAOYSA-N 285.368 3.738 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(Cl)cc1 129241496 RIAJBILXZXNMQF-UHFFFAOYSA-N 272.735 3.832 30 20 CHED COc1cccc(SCCOc2cccc(C#N)c2)c1 37143581 XSDDREJIDDXJLD-UHFFFAOYSA-N 285.368 3.738 30 20 CHED Cc1cc(C#N)ccc1Oc1ccc([N+](=O)[O-])cc1F 38082008 CVMNLTLKRQJFQO-UHFFFAOYSA-N 272.235 3.706 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCCc2cccc(C#N)c2)C1 466421076 JFKPHRUDCZPHEU-QZTJIDSGSA-N 270.420 3.905 30 20 CHED N#CCN(CCc1ccc(Cl)cc1)C1CCCC1 308667123 SZRCKMUSEQOCRP-UHFFFAOYSA-N 262.784 3.651 30 20 CHED C[C@H]1CN(CCCCC#N)[C@H](C)[C@@H](C)N1Cc1ccccc1 404430220 OGSPCNHZCGBZFU-RCCFBDPRSA-N 299.462 3.664 30 20 CHED C[C@H](C#N)OCCOc1ccc(Cl)c2ccccc12 311676378 BPTRUWHGMZXTRL-LLVKDONJSA-N 275.735 3.801 30 20 CHED N#CC1(C(=O)NC(C2CCC2)C2CCC2)CCCCC1 325266653 LBUJQYSXHIKRJN-UHFFFAOYSA-N 274.408 3.545 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@H](C(C)(C)C)C1 529226928 GVTMXGVRIXTFHC-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(OC)cc1F 393816840 YDRPWEDFOCIZDX-VXGBXAGGSA-N 251.345 3.840 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(C)c2)c1 7744037 VESBKWVXQSQQCY-MDZDMXLPSA-N 279.339 3.850 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cn1 14177246 KAXOBQUOGPYDQE-BJMVGYQFSA-N 268.360 3.614 30 20 CHED N#Cc1ccc(Sc2cc(F)ccc2F)c([N+](=O)[O-])c1 18061179 UYVBVVZNUZUPHK-UHFFFAOYSA-N 292.266 3.896 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1cccs1 20148587 HSNNKGIRJZWRKU-ZDUSSCGKSA-N 271.385 3.611 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 25437654 HCLKSKDJKYNBBI-UHFFFAOYSA-N 289.338 3.612 30 20 CHED Cc1c(F)cccc1NC(=O)C1(C#N)CCCCC1 44767302 IERLSEDQUKELFG-UHFFFAOYSA-N 260.312 3.547 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 44827954 XJWRFKMZAYNJKH-VIFPVBQESA-N 270.254 3.502 30 20 CHED C=C(C)CN(CC)S(=O)(=O)c1ccc([C@@H](C)CC)cc1 57429264 SZWNYDDSTAMSOM-AWEZNQCLSA-N 295.448 3.787 30 20 CHED Cc1c(F)cccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 72511025 SMRMNHVCXXXNJK-GFCCVEGCSA-N 297.333 3.889 30 20 CHED CCn1cc(C(=O)/C=C/c2cccc3c2OC(C)(C)C3)cn1 78022890 MYQNOPWDJRTKRT-CMDGGOBGSA-N 296.370 3.513 30 20 CHED COc1ccc(CNc2ccc(F)c(Cl)c2)cc1C#N 87822812 UVTUWAGBYQHHNP-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1cc(F)ccc1CCNCC(C)(C)CCC#N 88744814 RBRSXBVJSYKIHQ-UHFFFAOYSA-N 262.372 3.596 30 20 CHED C=CCN1CCC(N[C@@H](c2ccccc2)C(C)C)CC1 91334247 RRXSMTPQGCBNKJ-GOSISDBHSA-N 272.436 3.624 30 20 CHED C=CCN(CC(=O)O)Cc1c(C)cc(C(C)(C)C)cc1C 92466367 IWBQKHLGLZLCLD-UHFFFAOYSA-N 289.419 3.674 30 20 CHED Cc1cccc(C)c1COc1ccc(C#N)c(F)c1 96810325 DZBYLGNBKABYQP-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC(C)(C)CCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1 103638556 KADVNAMGQGYJSM-AWEZNQCLSA-N 286.375 3.550 30 20 CHED CCCCCCCCNC(=O)c1cccnc1Cl 108887018 WYKABMDYDKXMQH-UHFFFAOYSA-N 268.788 3.825 30 20 CHED N#Cc1cc(F)c(NCCc2ccccc2F)c(F)c1 111142584 CTIDEOJZUFGHMR-UHFFFAOYSA-N 276.261 3.630 30 20 CHED C=CC[C@@H](C)NC(=O)c1cnc(-c2ccccc2)s1 116859266 VFCHFQBEDODUTJ-LLVKDONJSA-N 272.373 3.505 30 20 CHED C=CCCCSc1nncn1-c1ccccc1C 117546522 WEUGAWDANKIHGG-UHFFFAOYSA-N 259.378 3.634 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 119910255 FUPHPYRBLHCSAC-SJLPKXTDSA-N 283.415 3.832 30 20 CHED N#Cc1ccccc1/C=C1\CCc2ccccc2C1=O 120663123 FLJLJKXVZDLELT-RVDMUPIBSA-N 259.308 3.771 30 20 CHED N#Cc1cccc(CN[C@H]2CCCc3cc(F)ccc32)c1 122336381 VJKVVFXQOWZOOV-SFHVURJKSA-N 280.346 3.865 30 20 CHED CCCCCCCCCC(=O)NC[C@H]1CCC[C@@H](O)C1 122667721 MDQPHSZPEZCJGX-JKSUJKDBSA-N 283.456 3.794 30 20 CHED CCOc1ccccc1NCc1ccc(F)c(C#N)c1 123652337 ALQNSJUEAATPSQ-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)CC)cc1 124192069 UIGOBLWNLPTUSO-UHFFFAOYSA-N 286.375 3.742 30 20 CHED Cc1ccc(Cl)c(NCC(=O)Nc2cccc(C#N)c2)c1 124521737 HYADWBGQLBYONM-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3ccccc3)cnc12 125211242 IYRGJIQUBCJSPQ-MDZDMXLPSA-N 262.312 3.539 30 20 CHED C[C@H](CC(=O)N(C)c1ccccc1C#N)C(C)(C)C 127477638 KOZACAYJSDKRNZ-GFCCVEGCSA-N 258.365 3.593 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H]1CCCC[C@H]1C 130441334 RVCCQGRJUGFOMU-CJNGLKHVSA-N 272.392 3.577 30 20 CHED CC[C@@H]1CCN(c2ccc(Br)cc2C#N)C1 130465383 QJRNBKCBQPCMAH-SNVBAGLBSA-N 279.181 3.557 30 20 CHED CC(C)(C)C1CCC(CC(=O)NC2(C#N)CCC2)CC1 132697487 LJQCQFBXZNECAF-UHFFFAOYSA-N 276.424 3.791 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2cccc(Cl)c2)c(F)c1 132847217 SMPPZACDZPZUGR-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1ccc(NCc2c[nH]nc2-c2ccccc2F)cc1 132861257 IMCRGAVRBZGMNL-UHFFFAOYSA-N 292.317 3.700 30 20 CHED CC[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 135283575 BPKVQEXTUCBEFE-AWEZNQCLSA-N 256.393 3.720 30 20 CHED Cc1cc(F)ccc1-c1nc2cc(C#N)ccc2[nH]1 135520165 BOQQKHVAQICCHP-UHFFFAOYSA-N 251.264 3.549 30 20 CHED C=CCn1c(SC[C@@H](C)CC)nnc1-c1ccco1 154495401 ICZHBCJAOCCFPG-NSHDSACASA-N 277.393 3.862 30 20 CHED C[C@@H](Nc1noc(-c2ccccc2)n1)c1ccc(C#N)cc1 157039288 XBZNZSAEBFNNOH-GFCCVEGCSA-N 290.326 3.781 30 20 CHED C=CCn1c(SCC2CCC2)nnc1-c1ccco1 172914063 VOMZMUWJQRQNJR-UHFFFAOYSA-N 275.377 3.616 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2SCCc3ccccc32)c1 173050492 QKAOGLUVGZSSEX-MRXNPFEDSA-N 294.379 3.527 30 20 CHED C/C(=N\O[C@H](C)c1nnc(C)o1)c1cc2ccccc2o1 174084636 SIIMDBFDIJMNER-SVXRXWARSA-N 285.303 3.626 30 20 CHED Cc1ncc(CN(C)c2c(C#N)cnc3ccccc23)s1 174691672 KAPJPOVXCOIDJR-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C/C(=C\C(=O)OCC1(CC#N)CC1)c1cccc(Cl)c1 175183733 KISGQIKGXLYEEL-FMIVXFBMSA-N 289.762 3.980 30 20 CHED C=CCCCC(=O)NCCc1csc2ccccc12 175350429 KLNKEUYCZDWLFK-UHFFFAOYSA-N 273.401 3.916 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(O[C@H](C)CC)cc1 175429658 BYHGFFPBMDVDAU-CQSZACIVSA-N 275.392 3.902 30 20 CHED C=C(C)COc1cccc(NC(=O)CCc2ccoc2)c1 177221975 OWYRODNQVCPJHS-UHFFFAOYSA-N 285.343 3.806 30 20 CHED N#CC1(C(=O)N2CC3(CCCC3)c3ccccc32)CCCC1 177676276 NTOFFMCEIGZNFS-UHFFFAOYSA-N 294.398 3.929 30 20 CHED Cc1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 178033693 ZOLXTFRGBMQYEQ-UHFFFAOYSA-N 294.354 3.663 30 20 CHED C=C(C)COc1cccc(NC(=O)C2[C@@H]3CCC[C@@H]23)c1 178192318 KPTPYIIKVGUXHM-HUUCEWRRSA-N 271.360 3.626 30 20 CHED N#CCCN(Cc1ccco1)Cc1cc2ccccc2o1 178543451 ZYFRIGKHFLEFPW-UHFFFAOYSA-N 280.327 3.942 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)O[C@H](C#N)C1CC1 179408442 JNCWIMMLCRNLGF-QSYFUGGGSA-N 275.735 3.589 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cnn(Cc2ccccc2)c1 180946505 AYPDLQIGKRSIMY-LSDHHAIUSA-N 269.392 3.547 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ccc(C)s1 181427780 BTMHEUSVPDNBQN-LBPRGKRZSA-N 280.437 3.943 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1c(F)cccc1F 182608646 TYGODSXJCOBBKS-VXGBXAGGSA-N 281.346 3.929 30 20 CHED Cc1cccc(OCc2ccc(F)c(C#N)c2)c1F 182966751 RGOZXZNPQKGBKI-UHFFFAOYSA-N 259.255 3.724 30 20 CHED N#Cc1cc(CN[C@@H](Cc2ccccc2)C2CC2)ccc1F 183411153 PXCVUTPRBHAZTG-IBGZPJMESA-N 294.373 3.808 30 20 CHED CC[C@@H](CC#N)NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 183812703 JTFWPSIIUDIAPY-NSHDSACASA-N 289.766 3.552 30 20 CHED CC[C@H](CC#N)NC(=O)/C(C)=C/c1ccccc1Cl 183877829 HDQYWWIDCRLUIY-OCHBPSSRSA-N 276.767 3.552 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 184126886 RONUWIBLBREZKX-CQSZACIVSA-N 296.370 3.712 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1=CCCCCC1 185860932 UNOXOKOMNNZVJU-UHFFFAOYSA-N 284.359 3.786 30 20 CHED C=C(C)[C@H](NC(=O)C1CCCC1)c1ccc(F)c(F)c1 186041253 SNJVQQIBPOCFAJ-HNNXBMFYSA-N 279.330 3.888 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)c(OC)cc1F 188513156 RGWFEQKTNGXXID-AWEZNQCLSA-N 269.291 3.514 30 20 CHED C#CCCCC(=O)N(CC1CCCCC1)c1ccccn1 190483899 SDFDSLOFCJNUHT-UHFFFAOYSA-N 284.403 3.798 30 20 CHED CC[C@H](NCc1ccc(C#N)c(F)c1)c1c(C)noc1C 192179649 BDGDSRQPOTZEAO-HNNXBMFYSA-N 287.338 3.543 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cccnc2OC2CCCC2)C1 192664107 UAKJZHBUWHWNDX-GDBMZVCRSA-N 299.418 3.575 30 20 CHED Cc1c(Cl)cccc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 192785680 LCLKCVAKVGGUQM-BDJLRTHQSA-N 290.794 3.851 30 20 CHED N#Cc1ccc(F)c(CN2CCC[C@@H]3CCCC[C@H]32)c1 217728064 XDAFLBJQNXQJCS-WMLDXEAASA-N 272.367 3.852 30 20 CHED Cc1cccc(CC(=O)Nc2ccc(C#N)cc2Cl)c1 225781572 OXAQUFFBZWVCBK-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C=CCCOCCNC1CCC2(CCCC2)CC1 231798812 ASYNNHWIYVIUAK-UHFFFAOYSA-N 251.414 3.672 30 20 CHED C=CCN(C(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 247999006 NFCLMEVTZRCZBO-QGZVFWFLSA-N 295.407 3.923 30 20 CHED CC[C@@H](C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 248224200 IQLAGVHVRVFZNA-OLZOCXBDSA-N 258.365 3.514 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 252413970 PWFOAPUHFSRCMB-WLEJMLQUSA-N 270.351 3.934 30 20 CHED Fc1ccc(C=NNc2nc3ccccc3s2)cc1 252593483 BKGJCLRGSVEPEN-UHFFFAOYSA-N 271.320 3.881 30 20 CHED CC(=NNc1nc2ccccc2s1)c1ccccn1 253992313 WKVJAFTUYKOSOR-UHFFFAOYSA-N 268.345 3.527 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1ccc(Cl)s1 255168009 ILJUDMXRGBHNHK-PLNGDYQASA-N 280.780 3.594 30 20 CHED CNC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2C)cc1 255867798 SWYAWMODZAALSL-XFFZJAGNSA-N 293.366 3.559 30 20 CHED COc1ccccc1/C(C)=C\C(=O)Nc1sccc1C#N 255906190 HBZRDWSZALMDGS-LUAWRHEFSA-N 298.367 3.670 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)NCCCCC#N)c(C)c1 264147108 PPRCCSHRMIJOQL-OAHLLOKOSA-N 287.407 3.700 30 20 CHED C=C1CCN(C(=O)c2cccc(-c3nc(C)cs3)c2)CC1 265840535 VMDKEAYCQUSDTI-UHFFFAOYSA-N 298.411 3.911 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCC(F)(F)F 266586249 CRDINSCPXGMZNY-UHFFFAOYSA-N 288.265 3.672 30 20 CHED C#CC[C@H](NCc1cnc(CC)s1)c1ccccc1 270200468 MDIVCXWDWYONAK-HNNXBMFYSA-N 270.401 3.560 30 20 CHED Cc1nc(C(C)(C)C)sc1[C@@H](C)NCCCC#N 273187600 GDASRVJQPWRVKV-SNVBAGLBSA-N 265.426 3.703 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 276210456 ZZTNJXAYPLNVNV-AWEZNQCLSA-N 290.407 3.752 30 20 CHED Cc1csc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1Cl 278050952 VQJHOIAUTDJDHM-JTQLQIEISA-N 296.823 3.864 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)c1nc(C(F)(F)F)cs1 278692437 FCNBEKAMUUHTOM-ZETCQYMHSA-N 298.293 3.602 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1c[nH]c2ccccc12)C1CC1 278862866 YNGPEDXLPOJVHC-CYBMUJFWSA-N 282.387 3.839 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)N(C)C[C@H](C)C#N)c2ccccc21 279835412 NSZIIIBZOSTVHN-KBRIMQKVSA-N 299.418 3.672 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc(Cl)s1 281393576 OKCSYJJQMWHIPL-JTQLQIEISA-N 271.813 3.805 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 285088675 IBYOENIUTWYQQS-GUYCJALGSA-N 288.391 3.591 30 20 CHED COc1ccc2cc(NC(=O)N(C)[C@H](C)CC#N)ccc2c1 287257354 PXBWJSJGHFDWIV-GFCCVEGCSA-N 297.358 3.614 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc2sccc2c1 291147086 GPOJCZNVZLUZGG-UHFFFAOYSA-N 271.385 3.567 30 20 CHED N#Cc1csc(C(=O)NC[C@H]2CCCCC(F)(F)C2)c1 292441265 MRECQWKLYMCANF-JTQLQIEISA-N 298.358 3.565 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)[C@H]1OCCc2sccc21 292570479 ZXZHRQYGWCHXEZ-IUODEOHRSA-N 292.448 3.670 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(Cl)cncc1Cl 293693296 CKBRXODMQLXLDD-UHFFFAOYSA-N 287.190 3.721 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 296505569 QINAKIAHZORPMG-UHFFFAOYSA-N 299.399 3.606 30 20 CHED COc1ccc([C@H](C)OC(=O)[C@]2(C#N)CC23CCCC3)cc1 298009361 SIHSCVLUFURGAZ-SCLBCKFNSA-N 299.370 3.773 30 20 CHED N#Cc1cc(CN2CC[C@@H]3CCCC[C@H]3C2)ccc1F 300406033 IQNDKLGRLVZFBB-GJZGRUSLSA-N 272.367 3.709 30 20 CHED CC(C)C[C@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 301629557 IEZNGBCLQZQMIR-GFCCVEGCSA-N 277.799 3.869 30 20 CHED CC[C@@H](C)[C@@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301750531 IHWFCGRNQQKOLU-GHMZBOCLSA-N 298.346 3.861 30 20 CHED C=CCCOCCNc1cc2ccccc2c(Cl)n1 301836460 VHBSNBXLJDPWDS-UHFFFAOYSA-N 276.767 3.893 30 20 CHED COc1cc(C)ccc1CNc1cc(C(C)=O)ccc1C#N 302104915 MZZNYZFLBBYFEH-UHFFFAOYSA-N 294.354 3.690 30 20 CHED C[C@H](NC[C@]1(N(C)C)CCC[C@@H](C)C1)c1ccc(C#N)cc1 314981811 XUGQGYNOMLXLSI-GJYPPUQNSA-N 299.462 3.719 30 20 CHED O/C(=N/C[C@H]1C[C@H]2CC[C@H]1C2)Nc1scnc1C1CC1 328949367 WNZRIZZRJLADQL-ZMLRMANQSA-N 291.420 3.783 30 20 CHED CCc1cc(C#N)c(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)s1 329407473 XMKXQBVSZGZIFN-ZJUUUORDSA-N 290.388 3.775 30 20 CHED CC1(N/C(O)=N/[C@@H]2CCOC3(CCCCC3)C2)CCCC1 330214823 GMTQVBMJCMBOJO-CQSZACIVSA-N 294.439 3.705 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CCCc2sccc21 330476078 GXDVIAYLNDSSOM-XJKSGUPXSA-N 290.432 3.613 30 20 CHED CC[C@@H](/N=C(/O)c1ccc(C(C)C)nc1)C1CCOCC1 331240174 MNZMKGHQDCLWNR-OAHLLOKOSA-N 290.407 3.715 30 20 CHED CC(C)(C)c1cc(NC(=O)CC2CC2)c(C#N)s1 331806984 AOEGAZSBZHWAEF-UHFFFAOYSA-N 262.378 3.656 30 20 CHED C[C@@H]1CCN(C(=O)Nc2cccc(CC#N)c2)CC12CCC2 333205101 SCMMBXTZOORAKA-CQSZACIVSA-N 297.402 3.797 30 20 CHED N#CCc1cccc(NC(=O)C2=CCCCCC2)c1 334737249 BYMORXOXDRALDU-UHFFFAOYSA-N 254.333 3.582 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)c2ccoc2)s1 334819809 SDJQNFQOHJNJDH-UHFFFAOYSA-N 274.345 3.763 30 20 CHED Cc1cccc(-c2nnc(S[C@H]3CC[C@H](C#N)C3)n2C)c1 336261467 JILBHFRGLSRQLQ-JSGCOSHPSA-N 298.415 3.575 30 20 CHED CC(C)CSCCCSc1ccc(C#N)cn1 337660545 AYZPQHWXXFHCII-UHFFFAOYSA-N 266.435 3.825 30 20 CHED CCC[C@H]1CCCN(C(=O)c2cccc(C#N)c2C)C1 337969251 GLHQRZLKNQPYIB-AWEZNQCLSA-N 270.376 3.519 30 20 CHED C=CCCOCCNC(=O)Nc1cccc2ccsc12 339919166 AVGOCMUIPDAQOE-UHFFFAOYSA-N 290.388 3.616 30 20 CHED C=CCC(C)(C)c1noc(-c2cn3ccc(C)cc3n2)n1 340776829 PGCBEYABHCFKCM-UHFFFAOYSA-N 282.347 3.546 30 20 CHED C[C@@H]1CN(c2nccc(C#N)c2Cl)c2ccccc21 341721517 LNIZAWKIKRXIGE-SNVBAGLBSA-N 269.735 3.862 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC=CC[C@H]1C 342510999 SYWCNVSUNIWONY-GDBMZVCRSA-N 276.424 3.767 30 20 CHED N#Cc1csc(CN[C@@H](c2cccs2)C2CC2)c1 343075216 ZCFYGWYLKSGMRW-CQSZACIVSA-N 274.414 3.922 30 20 CHED CSc1cc(C)ccc1CNc1nccc(C)c1C#N 343520267 CZCCIQJLAHGLJY-UHFFFAOYSA-N 283.400 3.904 30 20 CHED Cc1ccsc1CN(C)Cc1ccc(F)cc1C#N 343731988 LQQJNNHDOZHDGW-UHFFFAOYSA-N 274.364 3.699 30 20 CHED CS[C@@H](CNCC(C)(C)CCC#N)C(C)(C)C 344323790 JQGPVMOJYOSCIO-LBPRGKRZSA-N 256.459 3.684 30 20 CHED C[C@@H](Nc1ccc2c(c1)ncn2C)c1ccc(C#N)cc1 348810482 RUQYPOYZOFGPND-GFCCVEGCSA-N 276.343 3.618 30 20 CHED Cc1occc1-c1noc(C[C@@H](CC#N)c2ccccc2)n1 350441898 VTMIMFRINZJFIL-CQSZACIVSA-N 293.326 3.878 30 20 CHED C=C(C)CCc1noc(-c2ccc(OCC)c(OC)c2)n1 351622149 HANCDTGEANMUGI-UHFFFAOYSA-N 288.347 3.653 30 20 CHED N#Cc1ccc(CN[C@H]2CC[C@@H](F)C2)c(C(F)(F)F)c1 352869864 IIZMDKJMNHWLKQ-NEPJUHHUSA-N 286.272 3.557 30 20 CHED COc1ccc2nc(CNc3cccc(C#N)c3)sc2c1 353204436 GRCVQOFBYMDUKC-UHFFFAOYSA-N 295.367 3.789 30 20 CHED C=C1CCN(Cc2cccc(OC)c2OC(C)C)CC1 353312367 WIWJELXWNVJFQB-UHFFFAOYSA-N 275.392 3.634 30 20 CHED C[C@@H](CCc1ccco1)N[C@H]1CCc2ccc(C#N)cc21 353412637 MEDWOUCKAFDYLS-UGSOOPFHSA-N 280.371 3.749 30 20 CHED C=CCOCCCSCC(=O)Nc1c(C)cccc1C 359136934 GQUGKKPRMRKHPJ-UHFFFAOYSA-N 293.432 3.568 30 20 CHED C=CCC1(C(=O)Nc2cccc(F)c2F)CCC1 359429846 BOCUTADYJMKTJZ-UHFFFAOYSA-N 251.276 3.650 30 20 CHED CC(C)(C#N)CCN1CCS[C@H](c2ccccc2)C1 363480877 OXHYJNMCHCUSPP-HNNXBMFYSA-N 274.433 3.716 30 20 CHED Cc1ccnc(N2CCS[C@@H](c3ccccc3)C2)c1C#N 363673481 NDIIBGWLWBFBCO-MRXNPFEDSA-N 295.411 3.556 30 20 CHED N#Cc1cccc(C#N)c1N1Cc2cccc(Cl)c2C1 367929196 VEQKGOAKIYMHOV-UHFFFAOYSA-N 279.730 3.604 30 20 CHED C=CCC[C@H](NC[C@H]1CCCn2cc(C)nc21)c1ccco1 375840803 QGFZXYBMEPJCDL-CVEARBPZSA-N 299.418 3.959 30 20 CHED N#Cc1cc(Br)ccc1N[C@@H]1CC[C@@H](F)C1 379468634 ZPOQCNPHNPTXDZ-GHMZBOCLSA-N 283.144 3.623 30 20 CHED N#CCOc1cccc(NC(=O)c2csc(Cl)c2)c1 380910621 PIHMZQYEKJDIKV-UHFFFAOYSA-N 292.747 3.556 30 20 CHED C[C@@H](NCc1cccc(OCC#N)c1)[C@H]1CC2CCC1CC2 394527496 ZBTMRTRLKOWGFR-MRWWZRLISA-N 298.430 3.893 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 397683271 KVKANOZBHUXQPI-CQSZACIVSA-N 278.355 3.606 30 20 CHED C=CC[C@@H](CC)NC(=O)CSc1ccc(OCC)cc1 410124910 VWSDRLFWWJHJCC-CYBMUJFWSA-N 293.432 3.648 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc2cccc(C)c2o1 410831022 XOOBAOWORJAHCC-ZDUSSCGKSA-N 270.332 3.506 30 20 CHED C[C@@H](CC(=O)N(C)[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 410893689 ZKSQLVUVOZTUTD-QWRGUYRKSA-N 298.308 3.569 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 412846522 WSCGDXFAYNOKQC-LJQANCHMSA-N 293.410 3.923 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 413556791 STHOVCZAVVRLSI-KBPBESRZSA-N 293.455 3.830 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)NCC(C)(C)CC#N 414165981 MSYCIANMXJKUPV-MRXNPFEDSA-N 276.399 3.922 30 20 CHED N#CC1(CC[S@](=O)Cc2ccccc2)CCCCC1 414238472 XOCOUZLCHJCEBA-IBGZPJMESA-N 275.417 3.799 30 20 CHED CC(C)[C@@H]1N(Cc2ccc(C#N)c(F)c2)CC12CCC2 421357794 QQQDCCDFOOVMKP-INIZCTEOSA-N 272.367 3.708 30 20 CHED C=C(C)C(C)(C)C(=O)N(CC)CCc1ccccc1 424579402 UYPHXZYAWNLRKK-UHFFFAOYSA-N 259.393 3.680 30 20 CHED C=C1CCN(C(=O)[C@@H](CC)Cc2ccccc2C)CC1 424648692 LZANKKZUTWDAQN-INIZCTEOSA-N 271.404 3.742 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425382541 IDSMHIDKIJRBEF-CKEIUWERSA-N 299.418 3.839 30 20 CHED CC(C)C1CCC(N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 425843366 BEFDXYMCUIACLU-JWMHWRSXSA-N 291.439 3.535 30 20 CHED COc1cccc2c1CC[C@@H](Nc1cccc(C#N)c1)C2 426039894 QMDQGEMGTXGCKJ-MRXNPFEDSA-N 278.355 3.536 30 20 CHED CC[C@H](N=c1ccc(C#N)c[nH]1)c1ccc(Cl)s1 426901960 ZBKWQWXAQRFHGH-JTQLQIEISA-N 277.780 3.653 30 20 CHED C=CCC[C@@H](O)CN(C(C)C)[C@@H](C)c1ccccc1 428865171 VLHGWXNFNFAIQK-DOTOQJQBSA-N 261.409 3.785 30 20 CHED Cc1cccc(C[C@H](NCC2(CC#N)CC2)C2CC2)c1 430745472 XSIAEGURFRXQDR-KRWDZBQOSA-N 268.404 3.600 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)CCc1ccco1 432113439 QCUWYVZMCMGAHK-ZDUSSCGKSA-N 278.396 3.502 30 20 CHED C[C@H]1CC[C@H](N(C)Cc2cccc(OCCCC#N)c2)C1 433048645 XWJMXIWRNFXLKP-RDJZCZTQSA-N 286.419 3.990 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(C#N)cc1Cl 433284996 RNHDYHLBOXJEAI-UHFFFAOYSA-N 291.782 3.935 30 20 CHED Cc1cc(Cl)ccc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 434029466 CGXYYOJSYXNUNH-AWEZNQCLSA-N 290.794 3.803 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C1C[C@H]2CCC[C@H](C1)C2 436028656 PVZGRAAIMVUCQI-GDZNZVCISA-N 276.424 3.647 30 20 CHED Cc1cnc([C@H](C)CNCc2ccc(C#N)c(C)c2)s1 444005291 VRKLLHXYKFJRQH-GFCCVEGCSA-N 285.416 3.525 30 20 CHED CC[C@H](N[C@H]1C[C@](C)(OC)C1(C)C)c1ccc(C#N)cc1 447561351 HYPKHMJZAXHSEW-BQFCYCMXSA-N 286.419 3.803 30 20 CHED C=CC[C@H]1N(C(=O)NCC(C)(C)OCC)CCCC1(C)C 447826227 IDYZGXPTQMSPTI-CQSZACIVSA-N 296.455 3.578 30 20 CHED C=CCCC[C@@H](C)NCc1ccnn1C1CCCC1 449249667 JUFJIBOPUCGTLE-CQSZACIVSA-N 261.413 3.833 30 20 CHED C=CCOc1ccc(CN[C@H](C)CC(C)(C)O)cc1Cl 449450590 OWIURRWRYHQSLO-GFCCVEGCSA-N 297.826 3.544 30 20 CHED Cc1cc(C#N)cc(NC[C@H](C)CC2CCOCC2)c1 449756772 BUCPVCOHYPONTO-CQSZACIVSA-N 272.392 3.731 30 20 CHED C=CCC1(C(=O)NCC2(CCOC)CCC2)CCCCC1 450115066 BZQSTYCRDHOERW-UHFFFAOYSA-N 293.451 3.836 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)cc2O)CCCCC1 451029242 UKYDCDKBOABOBY-UHFFFAOYSA-N 289.375 3.866 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 451382200 HJIRDAYVQJLCLA-STQMWFEESA-N 275.367 3.790 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 452716914 JOITVQWRWRQPNR-WDEREUQCSA-N 281.758 3.665 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](CC)c1ccccc1 452772385 FATGEEPJBJRUDK-CQSZACIVSA-N 259.393 3.899 30 20 CHED C=CCC[C@H](N[C@H](C)Cc1cnccn1)c1ccccc1 453180435 VSSJPDUUXSPKRF-QAPCUYQASA-N 281.403 3.705 30 20 CHED C=CCCc1noc(-c2cc(C)sc2Br)n1 453241175 VQQTWWDVPHVSKE-UHFFFAOYSA-N 299.193 3.988 30 20 CHED C=CC(C)(C)CN[C@H](Cc1ccccn1)c1cccnc1 453311713 SRQWADXAFGEBAN-QGZVFWFLSA-N 281.403 3.562 30 20 CHED N#Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1F 453379993 KFFIGUGCQPSNRC-SFHVURJKSA-N 295.361 3.723 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](CC)Cc1ccccc1 455304828 DFVVLHHSNZLSKZ-MRXNPFEDSA-N 274.408 3.615 30 20 CHED C=C(C)CCNC(=O)c1ccccc1-c1nc(C(C)C)no1 456116460 DVSWDBDGPYEWCJ-UHFFFAOYSA-N 299.374 3.556 30 20 CHED CCCc1nc(C)c(C(=O)Nc2cccc(CC#N)c2)s1 456726205 HIIAXJUCSUXIAB-UHFFFAOYSA-N 299.399 3.722 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C1 457087718 QRXODMVZJQJJJV-GFCCVEGCSA-N 288.366 3.596 30 20 CHED Cc1ccc([C@H](NC(=O)NCC(C)(C)CC#N)C2CC2)cc1 457579106 SKLVAADVQYGOET-INIZCTEOSA-N 299.418 3.685 30 20 CHED Cc1sc(NC(=O)[C@@]2(C)CC=CCC2)c(C#N)c1C 459841082 AQPSNAVLPGKTEA-HNNXBMFYSA-N 274.389 3.922 30 20 CHED CC[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)C(C)(C)C 463654342 HORPHZJQRGGABB-CYBMUJFWSA-N 261.325 3.703 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)O[C@@H]2CCC[C@H](C)C2)CC1 463838812 VQFMFHOTDNUFMG-UAGQMJEPSA-N 293.451 3.785 30 20 CHED CC(C)C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 464707888 FJIIMTNYPNQQNY-HZPDHXFCSA-N 286.419 3.871 30 20 CHED C=C[C@@H](C)NC(=O)CCCCCc1cccs1 465118592 XAJZZDRZQUZRIO-GFCCVEGCSA-N 251.395 3.542 30 20 CHED C=CCCN(C)C(=O)Nc1cccc2ccccc12 466394876 FKBZGOMBMYFLOH-UHFFFAOYSA-N 254.333 3.880 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2c(Cl)cccc2n1C 467917401 AMCFWACQEJMTDC-OAHLLOKOSA-N 291.782 3.768 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C1(CCC)CC1 471206023 AXGWEVJMTDZLDQ-UHFFFAOYSA-N 287.403 3.790 30 20 CHED C=CCCCCN[C@H](C)c1ccc(F)cc1N(C)C 471597726 GSTAAIMGXLCILG-CYBMUJFWSA-N 264.388 3.899 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC=CCC1 471908382 FDBMEGXHLDDJOK-QGZVFWFLSA-N 284.403 3.883 30 20 CHED C=CCC[C@@H](O)CN1CCCCC[C@@H]1c1ccccc1 472747767 IPSGVPDHVZDNCK-QZTJIDSGSA-N 273.420 3.931 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CCc2ccccc21 474089130 MAOZQVPNQYUWAG-MRXNPFEDSA-N 272.392 3.672 30 20 CHED C=CCN(Cc1ccc(COC)o1)c1ccccc1 475118650 JPRBEPDQTLIPNQ-UHFFFAOYSA-N 257.333 3.619 30 20 CHED C=C(C)CN(C)C(=O)c1oc2ccc(F)cc2c1C 479209762 BZRDQPJTGJTUNP-UHFFFAOYSA-N 261.296 3.528 30 20 CHED CC[C@@H](C)CN(C)Cc1ccc(C#N)cc1Br 481114086 JRTJEXCSKFEZAA-LLVKDONJSA-N 295.224 3.799 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(Cl)cc1F 483163302 ALZQULFQZBQECC-LLVKDONJSA-N 299.773 3.671 30 20 CHED Cc1nc(N2CC[C@@H](C)C[C@H]2c2ccco2)ccc1C#N 488065124 BRPGITMXKNYYBH-DOMZBBRYSA-N 281.359 3.832 30 20 CHED C=CCCCCCN[C@H](CCO)C1CCCCC1 488150420 MWOOCWQSCCESHM-MRXNPFEDSA-N 253.430 3.654 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(OC(F)F)c1 488484624 VCQXNHQEXKAFNT-UHFFFAOYSA-N 292.285 3.528 30 20 CHED C=C[C@@H]1CCCCN1Cc1coc(-c2cccs2)n1 489422860 FQEKXVXPBDHFOQ-CYBMUJFWSA-N 274.389 3.944 30 20 CHED Cc1ccc(C(C)(C)CNCc2ccc(C#N)o2)c(C)c1 491483071 FJPQRAUFAVXIAH-UHFFFAOYSA-N 282.387 3.836 30 20 CHED C#CCN(Cc1ccccc1)C(=S)Nc1ccccc1 491565674 BJUZAFYFTULLRZ-UHFFFAOYSA-N 280.396 3.519 30 20 CHED C#C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 491689911 KXQZZSLXQJWRJO-SWLSCSKDSA-N 270.763 3.760 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)CCC(C)(C)C 495202206 NOJZGRKTIQLPPM-KBPBESRZSA-N 266.429 3.951 30 20 CHED COc1ccc(C#N)cc1NC[C@H]1C[C@H]1c1ccccc1 500985456 YBKOZYCYNRVMDB-CVEARBPZSA-N 278.355 3.782 30 20 CHED C=CCOc1cccc(CNc2ncccc2Cl)c1 508516308 MCEKYPDFFWRBOX-UHFFFAOYSA-N 274.751 3.912 30 20 CHED C=C(C)CCN(Cc1ccc(C#N)cc1)CC(C)C 509295117 SCLVGXQWQSDHOI-UHFFFAOYSA-N 256.393 3.982 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)cc1 510095450 MDEMNJMEWXWVPB-GFCCVEGCSA-N 256.349 3.713 30 20 CHED C=CCOc1cccc(NC(=O)NCCCC(C)C)c1 510729556 BSUIVWZQXYOACS-UHFFFAOYSA-N 276.380 3.809 30 20 CHED C=C(CNC(=O)N1CC[C@H](C(C)(C)C)C1)c1ccccc1 512671009 CVHMTMPCUJGWSV-INIZCTEOSA-N 286.419 3.777 30 20 CHED N#Cc1cccc(NC(=O)N2CCc3cc(Cl)ccc32)c1 513537114 UJMMMHZGHLOLBJ-UHFFFAOYSA-N 297.745 3.806 30 20 CHED C=C(C)CN=c1[nH]c(-c2cc(C)sc2C)cs1 524335496 UUXFAMYYHCHRLO-UHFFFAOYSA-N 264.419 3.898 30 20 CHED CC(C)C(C)(C)CNC(=O)c1ccc(C#N)c(Cl)c1 525850944 VJYHSVNCCYUNPL-UHFFFAOYSA-N 278.783 3.624 30 20 CHED COC(=O)c1cccc(CNc2ccc(C)c(C)c2)c1C#N 535894688 HZIKTAGFFLURPX-UHFFFAOYSA-N 294.354 3.574 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@](C)(CC)C1 537268137 OBESVHZKWSTCAT-GOEBONIOSA-N 266.429 3.953 30 20 CHED C=C(C)COc1cc(CN2CC[C@H]2C(C)C)ccc1OC 540505263 WWRSUCJPZNJTIG-INIZCTEOSA-N 289.419 3.880 30 20 CHED CCC1(CC)[C@H](NCc2ccc(C#N)s2)[C@@H](C)[C@H]1OC 540651928 MWSRWLOTHQTCQP-KCPJHIHWSA-N 292.448 3.549 30 20 CHED N#Cc1c(F)cccc1OCCCc1ccsc1 541161633 WDUBGRBYJDOQBM-UHFFFAOYSA-N 261.321 3.770 30 20 CHED CC(=O)c1ccc(C#N)c(NCCC(C)(C)C2CC2)c1 549634624 STLQYKVXYHDDTJ-UHFFFAOYSA-N 270.376 3.999 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2C2CCCCC2)c1 552951863 HXAOJOWEFCKAFV-OAHLLOKOSA-N 255.365 3.502 30 20 CHED Cc1c(Cl)cnc(N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1C#N 555250687 GIBPODKGAYIYSQ-OCCSQVGLSA-N 289.810 3.930 30 20 CHED C[C@H]1CCC[C@H](C)C1NCc1ccc(F)c(C#N)c1 558392571 CYXPOXCSXMTNBS-RYUDHWBXSA-N 260.356 3.612 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1c1cc(C)nc(C#N)c1 561258747 FCRMNTHYWDGKFP-MLGOLLRUSA-N 257.381 3.667 30 20 CHED Cc1cc(C#N)cnc1-c1nc(C2CCCCCC2)no1 563148001 XVQRYWRVNJNBII-UHFFFAOYSA-N 282.347 3.750 30 20 CHED C=CCn1cccc1-c1nc(Cc2ccccc2Cl)no1 563750945 YRUVCGIHFQZSLK-UHFFFAOYSA-N 299.761 3.968 30 20 CHED CCc1nocc1CSCc1ccc(CC#N)cc1 565224496 KDJKPSGGITUVRN-UHFFFAOYSA-N 272.373 3.736 30 20 CHED N#CCc1cccc(NC2CCC3(CCCO3)CC2)c1 567571118 WETNWFFZNMLOOG-UHFFFAOYSA-N 270.376 3.656 30 20 CHED Cc1cccc(CCN(Cc2ccc(C#N)cc2)C(C)C)n1 568082370 CKJSBAAARGFXSG-UHFFFAOYSA-N 293.414 3.715 30 20 CHED C=CCCCCCn1cc(Br)c(C)cc1=O 571745977 FIATVLMMDIAFMN-UHFFFAOYSA-N 284.197 3.666 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] 571967010 HRJIPVCSBKSHEG-YRGRVCCFSA-N 285.347 3.847 30 20 CHED C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1CCC1CCCCC1 576405548 BGVMZYVYEGLXKS-FUHWJXTLSA-N 293.451 3.665 30 20 CHED CCOc1ccc(CN2CCC(CCC#N)CC2)cc1F 577634879 DRPWVBHSDBMJMK-UHFFFAOYSA-N 290.382 3.740 30 20 CHED N#CCCC1CCN(c2cncc(-c3cccs3)n2)CC1 577845192 TZAMTBSPEKEDLK-UHFFFAOYSA-N 298.415 3.725 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CCCCCC#N 588158399 WGQNTTMIMNEDOT-RDJZCZTQSA-N 284.403 3.865 30 20 CHED C=C1CCN(C(=O)Cc2coc3c(C)c(C)ccc23)CC1 591063551 DYBXFEWEGTULLP-UHFFFAOYSA-N 283.371 3.771 30 20 CHED N#CC1(C(=O)NCc2cccc3ccsc23)CCCC1 593196427 LJSFHCQWNDRPMM-UHFFFAOYSA-N 284.384 3.601 30 20 CHED C[C@H](COCC1CC1)Nc1ccc(C#N)c(C(F)(F)F)c1 593508725 QEJCQQANWSRFBC-SNVBAGLBSA-N 298.308 3.804 30 20 CHED C=CCCSCCNCc1ccc(F)c(F)c1F 594967230 INJRWZYDIBZJBE-UHFFFAOYSA-N 275.339 3.503 30 20 CHED C=CCCSCCN[C@H](C)c1cccc(OC)c1 595057336 CIVDIHVKCMOMFK-CYBMUJFWSA-N 265.422 3.655 30 20 CHED Cc1ccc(C#N)nc1NCc1ccc([C@H]2C[C@@H]2C)o1 596089136 XMHDSZVELQZHBT-FZMZJTMJSA-N 267.332 3.590 30 20 CHED CCN(CC#N)C(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 596916304 JMIGQWZPWFYGMH-OAHLLOKOSA-N 292.810 3.842 30 20 CHED Cc1ccc(CCCC(=O)N2CCC[C@@H](CC#N)C2)s1 597908610 UQTKJQDLJAJEHG-AWEZNQCLSA-N 290.432 3.532 30 20 CHED CCC(C#N)(CC)C(=O)N(C)CCC1CCCCC1 599258878 PWDYNIDUBUYUKF-UHFFFAOYSA-N 264.413 3.745 30 20 CHED COc1ccc(Br)cc1S[C@@H](C#N)C1CC1 601076478 HETPOTGJGKCHIP-LBPRGKRZSA-N 298.205 3.852 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)cc1F 609640809 UBUZWJZMNJCISO-QGZVFWFLSA-N 288.366 3.727 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1nc2c(cc1C#N)CCC2 610280472 QXUUNQBXJDPONN-PKOBYXMFSA-N 289.382 3.584 30 20 CHED CC[C@@](C)(C#N)NC(=O)C1CCC(c2ccccc2)CC1 610291460 KHOGLMOWHKVQIC-HTWSVDAQSA-N 284.403 3.769 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)C1CCCC1 610520813 BUIJFVBGMDLIBJ-LBPRGKRZSA-N 256.349 3.632 30 20 CHED CC[C@H](C)CCCCC(=O)N1CCC[C@](C)(C#N)C1 612251121 NECNOJFUBDAMHG-GOEBONIOSA-N 264.413 3.745 30 20 CHED N#CCc1ccc(NCc2ncccc2C(F)(F)F)cc1 612691321 ZFBNAVAUGYVTFH-UHFFFAOYSA-N 291.276 3.779 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CC1=CCCCC1 618733481 LEBNJFNEARVIRH-KRWDZBQOSA-N 280.371 3.552 30 20 CHED CC1(C)CC[C@@H](C(=O)NCc2ccc(C#N)c(Cl)c2)C1 619766172 QMDSLTJWBYTMPX-GFCCVEGCSA-N 290.794 3.654 30 20 CHED C=CCN(Cc1ccccc1C(F)(F)F)[C@@H](C)COC 621317736 WRMVUQNKYCJHDL-LBPRGKRZSA-N 287.325 3.728 30 20 CHED C=CCN(C(=O)[C@H]1CCCc2ccccc21)C(C)(C)C 622943489 DTZWAUZDASXMRY-INIZCTEOSA-N 271.404 3.920 30 20 CHED C=CCN(C(=O)c1cc2cccc(OC)c2o1)C(C)(C)C 622943568 HZZLSDSNOKDJPF-UHFFFAOYSA-N 287.359 3.868 30 20 CHED C=CCN(C(=O)c1cccc2cnccc12)C(C)(C)C 622944536 WKCJREVFTPIELB-UHFFFAOYSA-N 268.360 3.662 30 20 CHED C=CC[C@H]1CCCN(Cc2cccnc2C(F)(F)F)C1 625534437 BPNCQRJITWMKJD-LBPRGKRZSA-N 284.325 3.889 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccnc(-c2ccccc2)c1 629439595 FIZHLESMQGUAPH-LJQANCHMSA-N 294.398 3.967 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(c2ccccc2)C1 637025133 XEYURIGGJHYQBQ-AWEZNQCLSA-N 272.392 3.540 30 20 CHED N#C[C@@H](C(=O)c1cccs1)c1nc(C2CC2)cs1 647371726 XJTRGPBTLLHKFM-VIFPVBQESA-N 274.370 3.572 30 20 CHED C=CCCC(C)(C)NCc1cc(OC)c(OC)cc1OC 657805882 VTKPZLABOSRIPN-UHFFFAOYSA-N 293.407 3.547 30 20 CHED C=CCC[C@H](C)N[C@H](CO)c1cccc(Cl)c1Cl 662049598 AHZOZJTZQWMFDK-GXFFZTMASA-N 288.218 3.971 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)c(OC)cc1Cl 685106028 QKLGHCOUTOLZDP-UHFFFAOYSA-N 282.771 3.697 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1cccc(Cl)c1 702937107 SDPDIZSMBPLEAT-LBPRGKRZSA-N 264.800 3.800 30 20 CHED C#CCN(C(=O)N[C@H]1CC[C@H](C)CC1)C1CCCCC1 705722645 KSXRZVYMSFIKLA-SHTZXODSSA-N 276.424 3.543 30 20 CHED CN(Cc1cscc1Br)CC1(CC#N)CC1 709948887 IDBISNIDVWNPCZ-UHFFFAOYSA-N 299.237 3.636 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCCc3occc32)c1 726465603 NWWKVGAEZGBKTO-OAHLLOKOSA-N 296.395 3.625 30 20 CHED Cc1cccc2c1OC/C(=C/c1cccnc1Cl)C2=O 728697878 YTZKAEHMECSXMH-WQLSENKSSA-N 285.730 3.702 30 20 CHED C=CCOc1ccccc1C/N=C\c1cccc(OC)c1O 731936869 BLBTUHZYGHJRQI-UYRXBGFRSA-N 297.354 3.585 30 20 CHED C#Cc1ccc(C(=O)N(CCC)c2ccc(Cl)cc2)nc1 732015981 IWIXEXFRGUHUEU-UHFFFAOYSA-N 298.773 3.773 30 20 CHED C=CC[C@H](NC(=O)/C=C/c1ccsc1)c1ccncc1 734235430 HZJKUGYYBCRUTM-RGDDUWESSA-N 284.384 3.590 30 20 CHED CC[C@H](NC(=S)N(CC)C[C@H](C)C#N)c1cccs1 734374857 OJCPJNCJSYKEND-NEPJUHHUSA-N 295.477 3.555 30 20 CHED C=CC[C@H](NC(=O)N(CCC)CC(C)C)c1ccncc1 734682389 COODZJVJSUABLT-INIZCTEOSA-N 289.423 3.776 30 20 CHED CCCCCC[C@H](CC)C(=O)N(CC)C[C@@H](C)C#N 735037260 IUKUWFRYHYZSLH-GJZGRUSLSA-N 266.429 3.991 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C1(C#N)CCC1 736005705 HTSWANCYZGRLIB-AWEZNQCLSA-N 264.413 3.793 30 20 CHED C=CCCOCC(=O)O[C@H](CC)c1ccc(F)cc1F 739272779 WPAYXDHTHXUPTH-CQSZACIVSA-N 284.302 3.552 30 20 CHED C=CCCSc1nnc2n(C(C)C)c3ccccc3n12 740873027 XCQZXNNHLVQEAL-UHFFFAOYSA-N 286.404 3.933 30 20 CHED CCOc1ccc(NC(=S)NN=C(CC)C2CC2)cc1 741161269 NIXXNFIPYSUNKI-UHFFFAOYSA-N 291.420 3.548 30 20 CHED Cc1nc(Cl)cc(NN=Cc2cc3ccccc3o2)n1 741765941 LHJTZTVTAQWKDK-UHFFFAOYSA-N 286.722 3.631 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C(\C)C(C)(C)C 742592250 MWJSPFTUBWRVCV-WYMLVPIESA-N 287.378 3.780 30 20 CHED C=CCN(CC1CCCCC1)CN1C[C@H](CCC)CC1=O 743364389 NTFGZGLUAAYUPD-QGZVFWFLSA-N 292.467 3.661 30 20 CHED C#CCN(C(=O)NC[C@H]1CCC[C@H](C)C1)C1CCCCC1 744856901 BBLTVMRXURRUNJ-HOTGVXAUSA-N 290.451 3.790 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1cnn(-c2ccccc2)c1 746346552 FNECSWMJTNRXMV-MDZDMXLPSA-N 292.313 3.908 30 20 CHED C=CCN(C(=O)c1ccc(N(C)CCC)cc1)C(C)C 746362829 OGZQWPYKJOXDKQ-UHFFFAOYSA-N 274.408 3.569 30 20 CHED C(=NOCc1cccnc1)c1ccc(-c2ccccc2)o1 746587374 AZTDZDVXZLYYBA-UHFFFAOYSA-N 278.311 3.892 30 20 CHED C#Cc1cccc(NC(=O)N(CC)CCc2cccs2)c1 746661171 SNLAGBVOUZCRLD-UHFFFAOYSA-N 298.411 3.826 30 20 CHED C=CCOCCCC(=O)N1CCCc2cc(C)cc(C)c21 747312046 YXYORNAXOXPXIY-UHFFFAOYSA-N 287.403 3.565 30 20 CHED C[C@@H](OC(=O)C=C1CCCC1)c1ccc(C#N)cc1 748686489 YUIUSUPZTNDWEA-GFCCVEGCSA-N 255.317 3.663 30 20 CHED CCc1ccc(C(C)=NNc2ccc(F)cc2F)o1 752158004 SFBYYANOMIIGJD-UHFFFAOYSA-N 264.275 3.956 30 20 CHED CC[C@H](C(=O)O[C@H](C)C#N)c1cccc(C(F)(F)F)c1 752574330 QNXSNJFDVWBHFF-SKDRFNHKSA-N 285.265 3.654 30 20 CHED CCn1nc(C)c(/C=C\C(=O)c2coc(C(C)C)n2)c1C 752892878 YRIFMMJCQQOZKD-FPLPWBNLSA-N 287.363 3.527 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](CC1CCC1)c1ccccc1 753265368 RODTWNBRYGXUPU-IAGOWNOFSA-N 284.403 3.629 30 20 CHED CC[C@@H](C#N)OC(=O)Cc1ccc(-c2ccccc2)cc1 753413614 NEUDQTAVCVCPPL-KRWDZBQOSA-N 279.339 3.741 30 20 CHED Cc1csc(C=NNc2ccccc2Br)n1 755628849 NGZZXSAXKOWZGL-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H]1CCCC(C)(C)C1 755697948 AOXLWDICNXMULM-AWEZNQCLSA-N 264.413 3.601 30 20 CHED CCCCCCCCCCNC(=O)N1CCC(CO)CC1 756092790 BETRRQMTSGZIFV-UHFFFAOYSA-N 298.471 3.541 30 20 CHED CC#CCCNC(=O)/C=C/c1cccc(OC2CCCC2)c1 756152354 LTXWSYLQDVXESA-OUKQBFOZSA-N 297.398 3.551 30 20 CHED Clc1cccc(CNN=Cc2ccc(Cl)nc2)c1 756826793 GJJGSTVONMRTDU-UHFFFAOYSA-N 280.158 3.512 30 20 CHED C#CC[C@@H](/N=C\c1cc(OCC)ccc1O)c1ccccc1 756845719 GJGBJPAJCAWJJU-WRDGEJPTSA-N 293.366 3.974 30 20 CHED N#Cc1csc(/C=C\C(=O)c2cc(F)ccc2F)c1 757473700 GKPARCKVUJCJTB-RQOWECAXSA-N 275.279 3.794 30 20 CHED C[C@@H](C=NNc1nc(O)c2ccccc2n1)c1ccccc1 757591004 UECRWOGVRRVMTE-LBPRGKRZSA-N 292.342 3.537 30 20 CHED CC(CC1CCC1)=NNCc1ccc(F)c(F)c1 758372186 KWYCRSMGJVUFTJ-UHFFFAOYSA-N 252.308 3.621 30 20 CHED C#CCCCCNC(=O)[C@H](C)c1ccccc1C(F)(F)F 758627148 VXMSZCTZBAAHKM-GFCCVEGCSA-N 297.320 3.729 30 20 CHED FC(F)CON=C(CC(F)(F)F)c1ccccc1 758906840 LKEXVWWNEPYLCC-UHFFFAOYSA-N 267.197 3.625 30 20 CHED Fc1ccc2nc(C=NOC3CCCC3)sc2c1 761833494 DWEMQNKXTPNVAB-UHFFFAOYSA-N 264.325 3.729 30 20 CHED N#Cc1c(F)ccc(C=NOC2CCCC2)c1Cl 761834136 OIUILNWRHLBGON-UHFFFAOYSA-N 266.703 3.644 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1C[C@@]12CCOC2 763509537 IMSQWFRTBAOXAW-DOTOQJQBSA-N 281.440 3.670 30 20 CHED N#CC1(C(=O)O[C@H]2CCOc3ccccc32)CCCCC1 764366113 LNEQRYILHDSVOT-HNNXBMFYSA-N 285.343 3.527 30 20 CHED C=C(C)COC(=O)[C@@H](C)c1ccc(Br)cc1 766615800 DJOHZMBNNTZLDM-JTQLQIEISA-N 283.165 3.672 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cnn(C(C)(C)C)c1 768626104 FFDULPWUBUCBDC-UHFFFAOYSA-N 291.395 3.515 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)c(F)c1 772805122 FJGGABLFMIWCOS-DAXSKMNVSA-N 299.276 3.741 30 20 CHED Cc1cccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])c1C 772806515 LMQIGPGDEZGGLF-TWGQIWQCSA-N 297.310 3.813 30 20 CHED CC(C)c1nccnc1NN=C1CCC12CCCC2 773077113 CRZOWWYFYZFPJH-UHFFFAOYSA-N 258.369 3.722 30 20 CHED CC(=NNc1nccnc1C(C)C)c1nc(C)sc1C 773078821 OKNSPMKUHFHKHK-UHFFFAOYSA-N 289.408 3.509 30 20 CHED CCCCC[C@@H](CC)C(=O)N(CCC#N)CC1CC1 775712187 FEXAJHJGADZYKA-OAHLLOKOSA-N 264.413 3.745 30 20 CHED CCCCC[C@@H](CC)C(=O)Nc1cc(C)n(CCC#N)n1 775793278 ZQWSUOIBHZAJNL-CQSZACIVSA-N 290.411 3.650 30 20 CHED N#CC1(COC(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC1 775855884 VZGBWBNLCFAVFS-LBPRGKRZSA-N 297.276 3.570 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(F)c(F)cc1F 776192347 OYSXMDMYZVJKDU-ARJAWSKDSA-N 291.272 3.957 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC[C@H](C)C2)cc1 776707492 ZVVNWGSKLQDNEJ-LSDHHAIUSA-N 270.376 3.678 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)c1cccc(F)c1C#N 777742308 JDTIZVLHMTZNII-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C=CCN(C)C(=O)/C=C\c1ccc(C(C)(C)C)cc1 777839970 JTXZUMNNTVPUNZ-XFXZXTDPSA-N 257.377 3.642 30 20 CHED COc1ccc2nc(NN=C[C@H]3C[C@@H]3C)c(C)cc2c1 777913684 QBIAOCUPUHSJLB-GXFFZTMASA-N 269.348 3.606 30 20 CHED Fc1ccc(Cn2cc(C=NNc3ccccc3)cn2)cc1 780186107 DORHBSVEXYMWAQ-UHFFFAOYSA-N 294.333 3.517 30 20 CHED Clc1c(C=NN[C@H]2CCCOC2)sc2ccccc12 780262125 QQLWSAHKYLFVBW-JTQLQIEISA-N 294.807 3.657 30 20 CHED Clc1ccccc1[C@@H]1CCCC1=NN[C@@H]1CCCOC1 780262294 YXCZSNOVOPWUEQ-OCCSQVGLSA-N 292.810 3.732 30 20 CHED CC[C@@H](C#N)OC(=O)c1sc(C)nc1-c1ccccc1 781136398 MZXUDQDKRJKNET-LBPRGKRZSA-N 286.356 3.578 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(C(C)C)nc2ccccc12 781146787 JHFZMWRZDNIIAJ-LBPRGKRZSA-N 282.343 3.817 30 20 CHED CC(C)(C)CCCOC(=O)Cc1cccc(OCC#N)c1 781195881 FNVCOTXUGHTZBO-UHFFFAOYSA-N 289.375 3.501 30 20 CHED Clc1csc(C=NNc2cnnc3ccccc23)c1 782230078 DZODGAAQCKGRCE-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CC(C)(C)CCNN=Cc1ccc2cnccc2c1 782268188 JIPIEHLTDDFZAF-UHFFFAOYSA-N 255.365 3.595 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1cccc(C)c1 782410740 YSDNHQSFZIIYKI-AWEZNQCLSA-N 260.406 3.732 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2nc(C)cc(C)n2)C1 783773455 YETPROGEJAUNRG-UONOGXRCSA-N 260.385 3.708 30 20 CHED N#Cc1ccc(COC(=O)c2cc(Cl)c[nH]2)c(Cl)c1 784198190 FGPLOOXACGYOPK-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C=C(C)[C@H](CC(=O)OCCSc1ccccc1)OCC 784380931 PVFCCFBZKYWBHM-HNNXBMFYSA-N 294.416 3.693 30 20 CHED CC/C(C)=C(\C)C(=O)O[C@H](C)c1cccc(C#N)c1 784612125 FYOKPJOQLIIPTQ-XZHRJIJLSA-N 257.333 3.909 30 20 CHED C=CCCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 786337602 OFYQGCAPBTZUQU-RKDXNWHRSA-N 256.754 3.624 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(C(=O)OC)c(Cl)c1 786644248 OARSDRNRXCBBHD-OAHLLOKOSA-N 296.750 3.634 30 20 CHED CCc1cccc(CON=Cc2ccccc2OC)c1 786732262 MCYVDBRWDBMMMO-UHFFFAOYSA-N 269.344 3.808 30 20 CHED C/C=C(/C=C\C(=O)N[C@@H]1CCc2cc(C#N)ccc21)CC 787844120 NYKOKOHPACJYFV-RWYPIKOXSA-N 280.371 3.574 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 788037940 KPJYATOQXOUDEO-YOEHRIQHSA-N 284.403 3.581 30 20 CHED C[C@H](C=NN[C@@H](CO)c1ccccc1)CCc1ccccc1 788461644 SANPNUIHAQBXQK-LPHOPBHVSA-N 296.414 3.564 30 20 CHED Cc1sc2ncnc(NN=C3CCC3(C)C)c2c1C 788962235 APWOEIRENPERCU-UHFFFAOYSA-N 274.393 3.896 30 20 CHED C#CCn1ccc(CN(CC)CC[C@@H]2CCC[C@H](C)C2)n1 789328508 ARLQQSUUOFPZCC-IRXDYDNUSA-N 287.451 3.555 30 20 CHED C#CCN(C)C(=O)c1cccc(F)c1Sc1ccccc1 790971262 SCBSAXVXAIXAKY-UHFFFAOYSA-N 299.370 3.682 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@@H](C)c1ccc(CC)cc1 791200755 ACCHAIHVICTPGY-RHSMWYFYSA-N 271.404 3.661 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC3(CC2)CC3)o1 792635748 LMRQSFJJFBIFFO-UHFFFAOYSA-N 272.352 3.792 30 20 CHED Cc1ccc(F)cc1C=NNc1cccc(Cl)n1 793181096 JWVWJKXEMJMUNV-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc(F)cc1Cl 794547116 YYNQNRNVIOMFLX-UHFFFAOYSA-N 282.668 3.745 30 20 CHED CC1(C)Cc2cc(/C=C/C(=O)c3ccnc(F)c3)ccc2O1 794722401 QDQXAIKWKQPVMS-HWKANZROSA-N 297.329 3.830 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@H]2CCCSC2)c(Cl)c1 794902185 NEURSTZQKRSWDV-SECBINFHSA-N 299.783 3.789 30 20 CHED CN(C)c1ccccc1CNN=C1CCC[C@@H]1CCCF 794955720 AJDKHUYRTILDSQ-CQSZACIVSA-N 291.414 3.748 30 20 CHED CCCCCCCCN(C)Cc1nncn1C(C)C 795630687 NYPFTHXKUYLEGY-UHFFFAOYSA-N 266.433 3.651 30 20 CHED C#CCSCCN[C@@H](CCC(C)C)c1ccoc1 796817390 NCKQBHYQJYNZMD-HNNXBMFYSA-N 265.422 3.713 30 20 CHED C=C[C@@H](OC(=O)c1ccc(-c2n[nH]c(C)n2)cc1)C(C)(C)C 798906062 GDKLSFFVSZQOBS-CQSZACIVSA-N 299.374 3.538 30 20 CHED C#C[C@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)C(C)C 799046340 FQLDLSKNPHXSHK-HNNXBMFYSA-N 291.822 3.683 30 20 CHED COc1ccccc1CON=C(C)c1ccc(C#N)c(F)c1 799118379 CKZZQFBNWCQEFI-UHFFFAOYSA-N 298.317 3.647 30 20 CHED C#Cc1cccc(N[C@@H]2Cc3[nH]c4ccccc4c3C2)c1 799734570 GLLJECHKLYGOBM-HNNXBMFYSA-N 272.351 3.729 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(N(C)C)cc2)c1F 799890671 UJRUWTMOYSRPQR-XFXZXTDPSA-N 299.345 3.796 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCCC(F)(F)C1 800047557 NQVKCHZPUDGGBL-CYBMUJFWSA-N 271.351 3.512 30 20 CHED C[C@@H](c1ccccc1)N(CCO[C@H](C)C#N)CC1CCC1 801922820 POAWBMYLDLJVIA-CVEARBPZSA-N 286.419 3.778 30 20 CHED Cc1ccc(C=NNC2CCCCC2)c(-c2ccnn2C)c1 802712020 FXSFQPAPPJSDRQ-UHFFFAOYSA-N 296.418 3.652 30 20 CHED CC(=NN[C@H](C)CCc1ccc2c(c1)OCO2)C1CCC1 802714491 OVYCFYASJPEKSZ-GFCCVEGCSA-N 288.391 3.502 30 20 CHED C=CCOCCCC(=O)O[C@H]1CCc2cc(Cl)ccc21 803371056 KAKNFWBNKLLYJA-HNNXBMFYSA-N 294.778 3.853 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1csc(CCC(C)C)n1 803783899 HGJWTNKYYUZHSE-HNNXBMFYSA-N 294.420 3.715 30 20 CHED Cc1ccc(CNc2nc(Cl)c(C#N)s2)c(C)c1 804357725 LWVHIZVWERGCKT-UHFFFAOYSA-N 277.780 3.897 30 20 CHED N#CCCCCCC(=O)OCCOC1CCCCCC1 805695686 DLKHIQXRRGXSFU-UHFFFAOYSA-N 281.396 3.743 30 20 CHED C=CCCCCCCCCNC(=O)Nc1ccncn1 806438995 XLQRRIZQHDKHEH-UHFFFAOYSA-N 276.384 3.515 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/C=C/c2ccc(F)cc2)c1 806558460 DCOYWEMSOUGFCH-BQJQTIKASA-N 296.297 3.976 30 20 CHED Cc1cc(OC(=O)CCc2ccco2)c(C)c(C)c1C#N 809034469 HCQSLOBQOWEWCZ-UHFFFAOYSA-N 283.327 3.615 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@](C)(C#N)CSC)cc1 809137656 YLSYDOLXOXUBQN-MLGOLLRUSA-N 290.432 3.575 30 20 CHED C[C@@H]1/C(=C\c2ccc3c(c2)OCCO3)C(=O)c2ccccc21 809159284 MNARICQYTXNNGA-SEJMYLSOSA-N 292.334 3.841 30 20 CHED Cc1ccc2sc(C(=O)O[C@@H](C)CC#N)cc2c1 810583440 VSXFWEINCUGKSV-JTQLQIEISA-N 259.330 3.669 30 20 CHED Cc1ccc(CCC(=O)OCc2ccc(C#N)cc2C)s1 810639880 YRIGZQRGCJAMHQ-UHFFFAOYSA-N 299.395 3.913 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCO[C@@H](CC)C1 810766063 HLGLIHHQEADXBR-HOTGVXAUSA-N 281.440 3.834 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2ccc(F)c(C)c2)c1 812415056 XIKUJIWXHCFDAT-YBFXNURJSA-N 287.334 3.858 30 20 CHED CSCc1cnc(C=NNc2ccc(C)cc2)s1 814687096 OEPHMWMVMLCXAD-UHFFFAOYSA-N 277.418 3.761 30 20 CHED Cc1sccc1C=NNCc1ccc(Cl)cc1 814872961 FVZUDVCJMNUTNJ-UHFFFAOYSA-N 264.781 3.834 30 20 CHED Clc1cccc(NN=C2CC[C@@H]3CNc4cccc2c43)n1 814939350 NVHRFWDRGHDUQZ-SNVBAGLBSA-N 298.777 3.854 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cc(F)cc(F)c1O 815637058 LCWYJXVNXIXLDX-JTQLQIEISA-N 269.335 3.923 30 20 CHED C=CC[C@H](CC)NCc1cc(Cl)c(F)cc1O 816598502 FTMPIOYQHJRLJO-JTQLQIEISA-N 257.736 3.629 30 20 CHED COC1CCC(=NNc2cc(Cl)nc(Cl)c2)CC1 819828672 MDUSJWSUQPRTQG-UHFFFAOYSA-N 288.178 3.745 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cnn(-c2ccccc2)c1 819954163 KBIDLFCHYOEMGW-UHFFFAOYSA-N 284.359 3.518 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H](C)CC)c1ccc(Cl)cc1F 820738173 UAUULDOGJUIAQW-YGRLFVJLSA-N 296.773 3.593 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)OCC1CCCCC1 820785059 IYVGADRSDPFPML-UHFFFAOYSA-N 286.375 3.707 30 20 CHED N#CC1(C(=O)Nc2ccc3nc(Cl)sc3c2)CCC1 823840625 DCQDSCYMAVFZES-UHFFFAOYSA-N 291.763 3.582 30 20 CHED C#CCN(Cc1ccc(Oc2ccc(F)cc2)nc1)C1CC1 825520215 WVPWEGGFYZSXOE-UHFFFAOYSA-N 296.345 3.611 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2ccccc2O)CCCCC1 827946228 AXBISRKTKNDOCQ-CQSZACIVSA-N 285.387 3.543 30 20 CHED CC(C)c1nc([C@H](C)NCC2(C#N)CCC2)cs1 828822726 OBPZLCYYSUKKTC-NSHDSACASA-N 263.410 3.611 30 20 CHED C=CCC(F)(F)c1nc(C[C@@]2(C)CC2(Cl)Cl)no1 834865524 JYAMKDNWIUXRSA-VIFPVBQESA-N 297.132 3.864 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccc(C(=O)O)c(F)c2)C1 835009942 IVSHUSCIRFIULA-QWRGUYRKSA-N 278.327 3.748 30 20 CHED COC(=O)c1cccc(NN=C2CCC[C@H]2CCF)c1F 835019476 XKGCMQQIYFDKJR-JTQLQIEISA-N 296.317 3.540 30 20 CHED CCCCC[C@@H](NC(=O)C#CC1CC1)c1ccccc1 837391883 UWVKUMSNXZRWQT-QGZVFWFLSA-N 269.388 3.838 30 20 CHED CC(C)(C)C#CC(=O)Nc1nc(-c2cccs2)cs1 837402166 NILQMNYDMNZSKP-UHFFFAOYSA-N 290.413 3.860 30 20 CHED FC(F)(F)C(=NOC[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 837630922 UBHVERQHJQSHIW-JHJVBQTASA-N 299.292 3.537 30 20 CHED C=CCONC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 838704433 VRYKLEYBJFVHIA-CYBMUJFWSA-N 280.368 3.578 30 20 CHED C#CCC[C@H](C)OC(=O)CCc1c[nH]c2c(C)cccc12 839039525 QJCICPOZWQXEFS-AWEZNQCLSA-N 283.371 3.754 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2scnc2C(C)C)c1 839272245 OXIPALVXUDUZBA-UHFFFAOYSA-N 298.411 3.915 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Cl)nc(Cl)c1 839325629 HHBPJNWWEXYLMR-UHFFFAOYSA-N 259.136 3.539 30 20 CHED CC[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccncc1 839450046 UVQXPVBECLULEB-PBHICJAKSA-N 284.359 3.550 30 20 CHED CC(=NN(C)C[C@H](C)O)c1cc2c(ccc3ccccc32)o1 841656553 WZDXPXZYHIFEHX-LBPRGKRZSA-N 296.370 3.623 30 20 CHED N#C[C@@H](C(=O)CCC(F)(F)F)c1nc(C2CC2)cs1 842940305 AZCIZZRHLVIWCU-QMMMGPOBSA-N 288.294 3.539 30 20 CHED CC[C@H](COC(=O)c1cccc(CC#N)c1)CC(F)F 845758229 ISSZZLIMZXFEDB-NSHDSACASA-N 281.302 3.591 30 20 CHED C=CCCSCC/N=C\c1cccc(OCC)c1O 849170838 VPQKBHQEYDKPPF-VBKFSLOCSA-N 279.405 3.519 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)[C@@H]1C[C@H]1c1cccnc1 851145258 WDENTOMUEIBQGO-LLLHUVSDSA-N 285.387 3.863 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2ccncc2c1 851206532 SXCWNBQWCCSFIT-GFCCVEGCSA-N 282.343 3.720 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)Cc1cc(C)cc(C)c1 853119571 XZYSVZBRDUPLEC-SFHVURJKSA-N 290.403 3.618 30 20 CHED C=CCN(C(=O)Cc1coc2ccc(C)cc12)C(C)C 859189902 KCWPTZUSFLXJEZ-UHFFFAOYSA-N 271.360 3.707 30 20 CHED CC(=NNCC(F)(F)C(F)(F)F)c1sccc1C 863179487 JUWTZNHYPWXHIH-UHFFFAOYSA-N 286.269 3.568 30 20 CHED CCCCCCCN[C@H](Cc1ccccc1)[C@H](C)N 863540005 PKWDGJUPKVCDDW-DOTOQJQBSA-N 262.441 3.505 30 20 CHED CC#CCCSCc1coc(-c2ccccc2OC)n1 865284906 NSSBPGOPVSNLCB-UHFFFAOYSA-N 287.384 3.997 30 20 CHED COc1ccc(-c2ccc(C3(C#N)CC3)cc2)cc1OC 871885110 QFICQNGGHIEEDU-UHFFFAOYSA-N 279.339 3.926 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H]1c1cccc(N(C)C)c1 876749117 KEAUFSCSQIBUED-YJBOKZPZSA-N 285.435 3.829 30 20 CHED CC(C)(C)Nc1ccccc1NCc1cccc(C#N)n1 877495766 FJWZUOHXXCMGBM-UHFFFAOYSA-N 280.375 3.776 30 20 CHED CCCN(CC[C@](C#N)(C(C)=O)c1ccccc1)C(C)C 878844429 ZBTWNTVDSXAAAV-SFHVURJKSA-N 286.419 3.547 30 20 CHED C=CCC1(O)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 886757753 QJKYTBWLOWCLNH-UHFFFAOYSA-N 299.336 3.608 30 20 CHED C=CC(C)(C)CC(=O)N(CCCC)CC(F)(F)F 888168592 VQPNTUGLHCYWMX-UHFFFAOYSA-N 265.319 3.780 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1nc(Cl)c(C#N)s1 888418142 ZLVHURMJNQOFCC-MRVPVSSYSA-N 298.799 3.534 30 20 CHED C=C1CCC(C(=O)Oc2ccc(CCOC)cc2)CC1 892445353 YJDMBEXAEQNNRU-UHFFFAOYSA-N 274.360 3.527 30 20 CHED CCSc1cccc(CN2CCC[C@H](C#N)C2)c1 896505650 PFKZYVKTUXMDDT-CQSZACIVSA-N 260.406 3.534 30 20 CHED C=C1CC(c2noc(CCC(=O)c3ccc(C)s3)n2)C1 896883309 GRHXECBRJCHGIJ-UHFFFAOYSA-N 288.372 3.689 30 20 CHED N#CC1(CCCC[S@](=O)c2ccc(F)cc2)CCC1 899276217 LOVSUOGJEIPUAY-IBGZPJMESA-N 279.380 3.797 30 20 CHED O=C1/C(=C\c2cnn(CC3CCC3)c2)Cc2cc(F)ccc21 899357228 GKCFBOHTPUPUBG-UUASQNMZSA-N 296.345 3.645 30 20 CHED Cc1cc(C(=O)/C=C\c2cncn2C(C)C)oc1C 901504778 OGVWDFOHKGSJSS-WAYWQWQTSA-N 258.321 3.570 30 20 CHED C=CCC[C@H](N[C@H](C)[C@@H](C)c1ccc(Cl)cc1)C(=O)O 901690479 OCWSBFXICLWFKL-JMSVASOKSA-N 295.810 3.841 30 20 CHED Fc1ccc(C=NNCc2cccc3cccnc23)cc1F 915960071 XDUXYDBXICANMA-UHFFFAOYSA-N 297.308 3.637 30 20 CHED COc1cccc(/C=C/C(=O)c2ccncc2)c1OC(C)C 916136248 JZCKEJKOWXEEQW-BQYQJAHWSA-N 297.354 3.774 30 20 CHED CCCC(C)=NNc1ncnc2sc(C)c(C)c12 916307714 LBRLBNAKPBXEAK-UHFFFAOYSA-N 262.382 3.896 30 20 CHED Cc1ccc(C)c(C=NNc2ncnc3sccc23)c1 916368438 PKBPZLCRSYQBPB-UHFFFAOYSA-N 282.372 3.754 30 20 CHED C=C(C)CNC(=S)N[C@H](CCC)c1ccccc1 917051473 LFHRWLAIHWOSEL-CQSZACIVSA-N 262.422 3.568 30 20 CHED Fc1ccc(NN=Cc2cnc(-c3ccccc3)nc2)cc1 917531452 SGPXKUCWEZQTML-UHFFFAOYSA-N 292.317 3.729 30 20 CHED CCCCCCCOC(=O)c1ccc2nccnc2c1 918813433 BVFCKFSFOACXSF-UHFFFAOYSA-N 272.348 3.757 30 20 CHED N#C[C@H](Sc1nc2ccc(F)cc2s1)C1CC1 918924981 BCLJLQFFROIHBJ-NSHDSACASA-N 264.350 3.830 30 20 CHED COc1ccc(C)cc1C=NNc1cc(F)cc(F)c1 920375017 PLCNTDIHPIOMEN-UHFFFAOYSA-N 276.286 3.728 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1cccc2ccccc12 921225347 AJOWTIPHJITKIN-CQSZACIVSA-N 284.355 3.864 30 20 CHED Cc1cccc(/C=C2/Cc3c(F)cccc3C2=O)c1 921263524 FMXXTDKTCJYFCU-LCYFTJDESA-N 252.288 3.957 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1cncc(Cl)c1 932115037 BGCAETLTMLUSKZ-UHFFFAOYSA-N 294.786 3.529 30 20 CHED C=CCOc1cccc(NC(=O)c2ncc(Cl)s2)c1 1116875493 IFHXCBWGAQTKDO-UHFFFAOYSA-N 294.763 3.614 30 20 CHED C/C(=C/C(=O)OCCCCC(C)(C)C#N)c1ccco1 1118404294 VGRDNRXGVNBPTM-QBFSEMIESA-N 275.348 3.946 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)c1cc(C)c(C#N)cn1 1185536533 ZTZYYTQYEPESGX-KRWDZBQOSA-N 279.387 3.719 30 20 CHED C=C(C)CCC(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 1262623026 OQQGVRYFAGISDD-LJQANCHMSA-N 294.398 3.952 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1csc(N)n1 1317756755 QAWLWIZYARFTJJ-UHFFFAOYSA-N 280.784 3.523 30 20 CHED Cc1ccc(C)c(NN=Cc2cccc3cn[nH]c23)c1 1318683854 AWZCUVPGLVLVTL-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C=CC1CCN(c2c(C)cnc3ccccc23)CC1 1319655660 UDWAGYJGXXSXIG-UHFFFAOYSA-N 252.361 3.946 30 20 CHED C[C@@H](c1nnc(-c2cccc(C#N)c2)o1)c1ccccc1F 1322343747 ZIZLOCPWNPRMOK-LLVKDONJSA-N 293.301 3.899 30 20 CHED Cn1c(Cl)cnc1CSCc1cc(F)ccc1C#N 1322517000 CTHMGSAJQCUVIO-UHFFFAOYSA-N 295.770 3.518 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cn(C)cc1C(F)(F)F 1325327160 DNTKSGCRNHMWNL-JTQLQIEISA-N 288.313 3.519 30 20 CHED CC1=C(C)C[C@H](C(=O)OCc2ccc(C#N)s2)CC1 1327195552 RGGCCDBBBUZCET-GFCCVEGCSA-N 275.373 3.799 30 20 CHED C=C[C@@H](OC(=O)[C@H]1CCOC2(CCC2)C1)c1ccccc1 1331438572 WVLYGKHCGPBIDO-JKSUJKDBSA-N 286.371 3.806 30 20 CHED CC/C(C)=C(/C)c1nnc(-c2cccc(C#N)c2)o1 1333075758 DFCLZALFHHHLAD-KHPPLWFESA-N 253.305 3.812 30 20 CHED C=C1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 1333409508 NXHRRKNNFJMTSH-UHFFFAOYSA-N 298.308 3.975 30 20 CHED Cc1cc(C#N)nc(N[C@H](c2ccccc2)[C@@H]2CCCO2)c1 1334140441 JYHICKNXVPNQIN-FUHWJXTLSA-N 293.370 3.594 30 20 CHED Cc1n[nH]c(C)c1C=NN[C@@H](C)c1ccc(C(C)C)cc1 1334668753 YXAYRWXFOXVDBC-LBPRGKRZSA-N 284.407 3.835 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@H]1CCC 1336163672 NOGQUDXNUSIEMG-OAHLLOKOSA-N 267.413 3.541 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1 1336549962 BCKZGFGPUUCDCY-HNNXBMFYSA-N 291.366 3.854 30 20 CHED N#CCOc1cccc(CN[C@@H]2CCc3c(F)cccc32)c1 1341682257 ATKXINVFXIGOQP-GOSISDBHSA-N 296.345 3.505 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccnc2cc(Cl)ccc12 1346951035 KYGZPIXJSMZPBO-CQSZACIVSA-N 288.734 3.593 30 20 CHED C=C(C)CCC(=O)N(C)c1nsc2ccccc12 1349741193 LNNULMGGSAVOSV-UHFFFAOYSA-N 260.362 3.615 30 20 CHED CC(C)[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1349760845 ULSRJIYZDLWTGI-NXEZZACHSA-N 289.766 3.685 30 20 CHED COc1ccc2oc(C)c(C(=O)O[C@H]3CC[C@@H](C#N)C3)c2c1 1357610915 PMRIBQSUORUXDG-YPMHNXCESA-N 299.326 3.599 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2C[C@@H](C)CCC#N 1474462565 KMFULJZPGBKGSG-KBPBESRZSA-N 258.365 3.522 30 20 CHED CCc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1CC 1515114462 NNJAGROLHKJGQI-INIZCTEOSA-N 278.355 3.696 30 20 CHED C=C(CC)C(=O)N(C)[C@@H](C)c1ccccc1Br 1528002420 PFAWDFKEPJZJKD-NSHDSACASA-N 296.208 3.935 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@@H]2CCc3cc(F)ccc32)c1 1535375840 TUCGFVBRPRLVOM-MRXNPFEDSA-N 298.292 3.505 30 20 CHED N#Cc1ccc(C(=O)Nc2c(F)cccc2Cl)c(F)c1 1536936667 TUXQOJGWKQAEKU-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1cccnc1S[C@@H]1CCOc2ccccc21 1559135030 UJUIZPNHYFOBKH-CQSZACIVSA-N 268.341 3.569 30 20 CHED N#Cc1cccc(Br)c1N[C@@H]1CCC[C@@H]2C[C@@H]21 1559209739 MCVMCVLLDYUINF-SUZMYJTESA-N 291.192 3.921 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C#N)cc2F)[C@H]1c1ccccc1 1586989650 LQZATFMUHCDWNG-SJKOYZFVSA-N 294.329 3.531 30 20 CHED C=C(CC)CSc1ccc(Cl)cc1-c1nn[nH]n1 1588443970 CMPABIBULDLVJN-UHFFFAOYSA-N 280.784 3.578 30 20 CHED C=C(CC)CS[C@H](Cc1ccc(C)cc1)C(=O)O 1588607224 WQJLPGHWPLSORE-CQSZACIVSA-N 264.390 3.690 30 20 CHED C=CC[C@H](C(=O)O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 1588729104 HDHNJACOEKRCCK-DJIMGWMZSA-N 287.403 3.531 30 20 CHED CCCCCCCCSc1ccc(-c2nn[nH]n2)cn1 1604176077 KPSVNYVPGLATSA-UHFFFAOYSA-N 291.424 3.714 30 20 CHED O=C(O)c1ccc(C=NOCc2cccc(Cl)c2)cc1 1610824173 KFDHZKIIVFAHCK-UHFFFAOYSA-N 289.718 3.589 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1OC)c1ccc(F)cc1 1642372369 ZFHLGRXPPXJUAJ-QGZVFWFLSA-N 298.361 3.947 30 20 CHED N#Cc1ccc(F)c(COc2ccc(F)c3cccnc23)c1 1644054581 HYWUJQZWWPUWFK-UHFFFAOYSA-N 296.276 3.964 30 20 CHED N#Cc1ccc2c(c1)N(c1nc3cccc(F)c3o1)CC2 1650937098 NKFBVSCAVPNYJA-UHFFFAOYSA-N 279.274 3.533 30 20 CHED C[C@H](Nc1nc(C#N)c(Cl)s1)c1cccs1 1651749566 DEJBEDHWKGEUAM-LURJTMIESA-N 269.782 3.903 30 20 CHED C[C@H]1C[C@@H](C)CN(CCSc2cccc(C#N)c2)C1 1656327573 SCHTVDKBZCKVOK-OKILXGFUSA-N 274.433 3.628 30 20 CHED COc1ccc(C#N)cc1NCc1ccc2c(c1)CCCO2 1656391041 PGTUHJBIRLHCEZ-UHFFFAOYSA-N 294.354 3.504 30 20 CHED CC(C)Cc1ccc(CN(C2CC2)[C@@H](C)C#N)cc1 1659340194 IOVTWQUJKNVWAH-AWEZNQCLSA-N 256.393 3.762 30 20 CHED Cc1ccccc1COC(=O)N[C@@H](C)c1ccc(C#N)cc1 1666732259 QXFDMRVWFYTNKJ-AWEZNQCLSA-N 294.354 3.854 30 20 CHED C[C@H]1CC(=NNc2ccc(C(=O)O)c(F)c2)CC[C@H]1C 1776074957 DSAHGJVHHPHZNL-ZJUUUORDSA-N 278.327 3.748 30 20 CHED C=CCN(Cc1ccccc1)Cc1csc(C(=O)O)c1 1776180879 KXQYKJHMBONQDO-UHFFFAOYSA-N 287.384 3.635 30 20 CHED CCc1cccc(/C=C\C(=O)c2csc(C(=O)O)c2)c1 1776974782 JYRHLVPBHJQPRP-SREVYHEPSA-N 286.352 3.905 30 20 CHED CC(C)[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 7924450 JXZVLIIYWIEJHX-QGZVFWFLSA-N 278.355 3.685 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@H](O)c1ccccc1 103906579 LICUUHGZDORSAJ-GUBFPNNNSA-N 291.350 3.698 30 20 CHED Cc1ccsc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 106421224 DQOAEBFKCZUIBR-GFCCVEGCSA-N 290.775 3.705 30 20 CHED Cc1nc(CCCC(=O)Nc2cccc(C#N)c2C)cs1 178369716 VWYABSBZMUGYAA-UHFFFAOYSA-N 299.399 3.593 30 20 CHED CCN(C(=O)C1[C@H]2CCC[C@H]12)[C@H](C)c1ccc(C#N)cc1 178282883 KPMGEDPCCZDOQG-KCXAZCMYSA-N 282.387 3.514 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CC[C@H]3CCC[C@H]3C2)n1 346820036 VLNVAJDSMPSZFU-VNHYZAJKSA-N 255.365 3.642 30 20 CHED C#CCCCOC(=O)c1ccccc1C(=O)c1cccs1 170712726 DEEILIMEOPZKRR-UHFFFAOYSA-N 298.363 3.549 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CC1CCC1 173915928 IMXKZVXMEHMBGG-CQSZACIVSA-N 294.354 3.558 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2c[nH]c3ccccc23)cn1 171981854 JUPIYFCTGMSUPT-BQYQJAHWSA-N 279.343 3.841 30 20 CHED N#Cc1cccc(OCCCOc2cccc(F)c2F)c1 62614962 KMZKTDUNMJLQKC-UHFFFAOYSA-N 289.281 3.684 30 20 CHED C=CCN(Cc1cccs1)C(=O)Cc1cccc(F)c1 60677908 OUNJNZNWEUKAOZ-UHFFFAOYSA-N 289.375 3.645 30 20 CHED C#CCCCNC(=O)c1oc2c(C)ccc(C)c2c1C 172935775 AACSJPLBNOGVPP-UHFFFAOYSA-N 269.344 3.501 30 20 CHED C#CCCCCNc1ccc(C#N)cc1C(F)(F)F 301662725 YJGYTXHMWBSFSM-UHFFFAOYSA-N 266.266 3.792 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2ccccc2C1 118390147 LCRZLHXNVSNYOE-AWEZNQCLSA-N 262.356 3.678 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)cc1 171980953 UFQMMSFLFCFMDZ-RMKNXTFCSA-N 254.333 3.669 30 20 CHED C=CC1CCN(C(=O)[C@H](SC)c2ccccc2)CC1 172404528 HTWAKHAUTQUPTG-OAHLLOKOSA-N 275.417 3.515 30 20 CHED CCN(C(=O)[C@@H](C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 178418122 QQVFETBVMFXYPF-STQMWFEESA-N 270.376 3.514 30 20 CHED N#Cc1ccc(NCC2CCC(c3ccccc3)CC2)nn1 301961817 IFJNWVNMMCMLBR-UHFFFAOYSA-N 292.386 3.734 30 20 CHED CC1CCN(CCCCNc2cccc(F)c2C#N)CC1 301108328 QLJCVSNBUQYRKB-UHFFFAOYSA-N 289.398 3.621 30 20 CHED Cc1ccc(NC(=O)CSc2cccc(C#N)c2)cc1C 177107355 LPUCWOLATYQAMB-UHFFFAOYSA-N 296.395 3.906 30 20 CHED C[C@H](NCCOC1CCCCCC1)c1ccc(C#N)cc1 174110435 KTGXETCSJDWYFI-HNNXBMFYSA-N 286.419 3.948 30 20 CHED C[C@@H]1c2cccn2CCN1Cc1ccccc1C(C)(C)C#N 178510683 DZBYGHXRWVPNKA-OAHLLOKOSA-N 293.414 3.866 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)Cc1ccccc1Cl 125249453 NSTKDYFXEHHUKY-CYBMUJFWSA-N 295.810 3.670 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)s2)ccc1O 32531685 VTYMLNFGQDSTMM-FNORWQNLSA-N 274.341 3.667 30 20 CHED CC#CCCCC(=O)Nc1ccc(CC(F)(F)F)cc1 185658818 LBHOOXFKZXMPPS-UHFFFAOYSA-N 283.293 3.924 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)cc1 120776578 DFVGLPCYMNOFBM-YCRREMRBSA-N 286.302 3.826 30 20 CHED C=CCCC(=O)Nc1cc(Br)ccc1OCC 78466456 WDFXYOOOKRLIOA-UHFFFAOYSA-N 298.180 3.753 30 20 CHED CCc1nnc(NCC2C(C)(C)C2(C)C)c(C#N)c1CC 125005802 GWNFJMNLNBBWKR-UHFFFAOYSA-N 286.423 3.567 30 20 CHED C[C@H](CCc1ccc(O)cc1)Nc1ccc(CC#N)cc1 37071491 AZWJWKQXNASJAM-CQSZACIVSA-N 280.371 3.891 30 20 CHED C[C@@H](NCc1cccc(OCC#N)c1)c1cccc(F)c1 37234678 SEDWZRJOAFQJCQ-CYBMUJFWSA-N 284.334 3.579 30 20 CHED N#CCCCOc1cccc(NCc2ccc(C#N)cc2)c1 79724250 LQJBOXKEBFDZOV-UHFFFAOYSA-N 291.354 3.853 30 20 CHED C[C@H](NCCCSCC#N)c1ccc2c(c1)CCCC2 181938712 KRIWYJQJBCKGMN-AWEZNQCLSA-N 288.460 3.863 30 20 CHED CC[C@H](C#N)OC(=O)CCCCCc1ccc(F)cc1 188986661 DXHOOATVWDHXIM-OAHLLOKOSA-N 277.339 3.774 30 20 CHED Cc1cncc(C(=O)/C=C/c2cccc(C)c2C)c1 184777141 GSQOVIKXSDBJIT-BQYQJAHWSA-N 251.329 3.903 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CCCc1c[nH]c2ccccc12 122177967 WBYITHLRFAYWJV-SFHVURJKSA-N 297.402 3.545 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416091698 ANRBHIDESLAQHI-INIZCTEOSA-N 282.387 3.654 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1cc(C)sc1C 79503094 AYSWAHQNWPKRMA-LBPRGKRZSA-N 281.421 3.525 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(N(CC)CC)cc1 184863436 MFGUJDKOPXDWBI-UHFFFAOYSA-N 272.392 3.521 30 20 CHED CCCCCCCC(=O)Nc1cccc(-n2cnnc2)c1 121960765 BDNMHQJFHGOEAR-UHFFFAOYSA-N 286.379 3.566 30 20 CHED N#Cc1ccccc1/C=C1\C(=O)Nc2cc(Cl)ccc21 120664645 MNESHRPKCXPDBH-AUWJEWJLSA-N 280.714 3.704 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc(F)c2C#N)c1 187086558 UVGQPBYFKNEETO-UHFFFAOYSA-N 296.301 3.514 30 20 CHED CC[C@H](NC[C@@H](C#N)CCC#N)c1cccc(Cl)c1 182586181 ICBATIDTARCRHM-DOMZBBRYSA-N 275.783 3.824 30 20 CHED CC(=O)c1ccc(OCCCOc2cccc(C#N)c2)cc1 123407953 NIORSLSMFOGHOC-UHFFFAOYSA-N 295.338 3.609 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1ccc(Cl)cc1 187963860 BBLNIXXGTXBYSA-BLLLJJGKSA-N 295.810 3.746 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1cc(C)n(C)n1 122558584 NJECFVILYOSXGZ-UHFFFAOYSA-N 294.443 3.943 30 20 CHED C=CC1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 522064096 HQTRUKSJCZVLPJ-UHFFFAOYSA-N 268.360 3.515 30 20 CHED CC#CCCCC(=O)N(CCC)CCc1cccs1 186072335 MQVZKMFAOZVURB-UHFFFAOYSA-N 277.433 3.723 30 20 CHED C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NCCCCC#N 184095988 OYUNPMUULOTQQH-PBHICJAKSA-N 299.418 3.693 30 20 CHED CCC(CC)CNC(=O)Nc1ccccc1O[C@@H](C)C#N 184308867 ZRDVCHUDCLBMAP-LBPRGKRZSA-N 289.379 3.535 30 20 CHED CC(C)Oc1ccc(Cl)cc1NC(=O)[C@@]1(C#N)C[C@@H]1C 410874637 SSEVRJYPHAWSJY-ZUZCIYMTSA-N 292.766 3.615 30 20 CHED CCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412258365 RLVFHXLFUGRQDQ-OKZBNKHCSA-N 296.414 3.843 30 20 CHED CC[C@@H]1CCCCN1C(=O)Nc1cccc(CC#N)c1 334741967 WAQDOFHFXBBVJO-OAHLLOKOSA-N 271.364 3.549 30 20 CHED CC#CCCCC(=O)N(CCc1cccc(F)c1)C1CC1 185563082 SHTJMGPWJFCPCQ-UHFFFAOYSA-N 287.378 3.553 30 20 CHED CCOc1cc(C#N)ccc1OCc1cccc(OC)c1 42252133 XQJOAJWTOBHHDN-UHFFFAOYSA-N 283.327 3.545 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(OCC2CCCC2)CC1 135104717 OUOUQAXYAVJNRO-GOSISDBHSA-N 293.451 3.787 30 20 CHED CSCCCNc1c(C#N)cnc2c(C)cc(F)cc12 78292633 PIRKAINTLSYZHH-UHFFFAOYSA-N 289.379 3.719 30 20 CHED N#CCc1cccc(C(=O)Nc2ccsc2Cl)c1 186967964 JSXHCAKPVZVALQ-UHFFFAOYSA-N 276.748 3.720 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccccc1Cl 509037661 ZJRFVSJKYFPRRK-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C[C@H]1OCC[C@H]1SCCC1(C#N)CCCCC1 413000167 NCJKSPZDHCFECB-CHWSQXEVSA-N 253.411 3.761 30 20 CHED N#Cc1ccc(CSC[C@H]2CCCO2)c(Cl)c1 220956208 VSNSUOCUBXKWGE-GFCCVEGCSA-N 267.781 3.624 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Cl)c(C)c1 410142506 LVJRFWLJGOQMDH-GFCCVEGCSA-N 251.757 3.733 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@@H](C)C2)c1 48955427 MRAJQPNEGFCSKC-CYBMUJFWSA-N 274.364 3.515 30 20 CHED C=C(C)CN1CCC(NC[C@H]2C(C)=CCC[C@@H]2C)CC1 134166069 BYGFQHGMGDOZPS-WMZOPIPTSA-N 276.468 3.609 30 20 CHED CC(C)c1nc(C(=O)Nc2cccc(CC#N)c2)cs1 456723315 DLULPVIKBKIIGV-UHFFFAOYSA-N 285.372 3.585 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C=CCC1 45404233 MFPWXMDLTPMZCO-HNNXBMFYSA-N 282.387 3.653 30 20 CHED Cc1ncsc1N=C(O)C[C@H]1CCOc2ccccc21 329934598 JXKKKNOTRSLAFK-LLVKDONJSA-N 288.372 3.996 30 20 CHED CC[C@@H](C#N)OC(=O)C[C@H](CC)c1ccc(C)cc1 84710087 XAXYCPDGXAILEG-ZFWWWQNUSA-N 259.349 3.724 30 20 CHED C[C@@H](C(=O)N1CC[C@@H](C2CCCC2)C1)c1cccc(C#N)c1 421644981 GMFQLFYNTRVROF-RDTXWAMCSA-N 296.414 3.700 30 20 CHED CC#CCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 511894961 IXWJHXGDXRSYBP-RCCFBDPRSA-N 253.389 3.668 30 20 CHED CCCCCCCN1CCN([C@H](C)C(F)(F)F)CC1 178283780 HQIIKYWMIHNQHS-CYBMUJFWSA-N 280.378 3.525 30 20 CHED Cc1ncc(N=C(O)CCC2CCC2)c(C2CC2)n1 328776237 LABXDLNYURKZJZ-UHFFFAOYSA-N 259.353 3.831 30 20 CHED C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC(C)(C)O1 41680744 UTLXTLSQCZOHFS-JTQLQIEISA-N 298.308 3.581 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccccc2N2CCCCC2)C1 193272058 OARKOXLYNCDRNP-SJLPKXTDSA-N 297.446 3.849 30 20 CHED CCOc1ccc(NCc2ccc(C#N)o2)cc1OCC 135560623 RZDXGCIECTWEIW-UHFFFAOYSA-N 286.331 3.561 30 20 CHED C=CCC1(C(=O)Nc2csc(-c3ccncc3)n2)CCC1 190265569 NWOFVRJBHVGIFM-UHFFFAOYSA-N 299.399 3.890 30 20 CHED COc1ccc2ccccc2c1CN(C)CC(C)(C)C#N 519560007 QNQGEKLROOSNID-UHFFFAOYSA-N 282.387 3.830 30 20 CHED CCc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)s1 48501863 OXQFHEZMYOQLQD-OVCLIPMQSA-N 290.344 3.543 30 20 CHED N#Cc1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c[nH]1 191324589 YVPWCBDZADLWEO-UHFFFAOYSA-N 298.104 3.585 30 20 CHED C=CCNC(=O)c1ccc(SCc2ccccc2)cc1 48201343 JNIHRVHITIRCEH-UHFFFAOYSA-N 283.396 3.895 30 20 CHED C[C@H]1CCC[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 133994937 MQKCUNVLGCOANX-XEZPLFJOSA-N 270.376 3.562 30 20 CHED C/C(O)=N/C1(c2noc(C3=CCCC3)n2)CCCCC1 329574619 NVIIPHAOESFEMJ-UHFFFAOYSA-N 275.352 3.773 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1CCCO[C@@H]1C 330177364 KQQOADSDIQDUTH-TZMCWYRMSA-N 299.374 3.788 30 20 CHED CCCOc1ccc(OCCSCCCC#N)cc1 190880380 LZSIWTVXVYERPE-UHFFFAOYSA-N 279.405 3.891 30 20 CHED CSc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1Cl 336215336 BCSTVZZLVAOBHF-OQPBUACISA-N 280.780 3.550 30 20 CHED C=CCCCN[C@H](C)c1ccc(OC(F)F)cc1 179608549 ZBULQIXSHFCAJI-LLVKDONJSA-N 255.308 3.905 30 20 CHED C=CC[C@H](C)/N=C(/O)c1coc(C2CCCCC2)n1 330436852 NGSKWVVBMOBGJS-NSHDSACASA-N 262.353 3.992 30 20 CHED CCC(C)(C)C1CCC(CC(=O)N(C)CCC#N)CC1 338151363 KPBYZDWMOKTNTB-UHFFFAOYSA-N 278.440 3.991 30 20 CHED C=CCC[C@@H](O)CN1CC[C@](F)(c2cccc(Cl)c2)C1 515313397 BUCQDBZVKUYZHK-HZPDHXFCSA-N 297.801 3.538 30 20 CHED CC(C)c1cccc(CNC(=O)C2(C#N)CCCCC2)c1 331055431 KPHVEOBFYCYHQM-UHFFFAOYSA-N 284.403 3.900 30 20 CHED CC(C)CCN(C(=O)NCC(C)(C)C#N)C1CCCC1 512893511 CVVBSNMMOYJUBW-UHFFFAOYSA-N 279.428 3.536 30 20 CHED COc1ccc2cc(CNc3cnccc3C#N)ccc2c1 339017751 VFTJKJNXJHXDNZ-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=C[C@H](C)/N=C(/O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 330931409 UAIZYEHZNJWXGG-GXFFZTMASA-N 276.380 3.680 30 20 CHED C=CCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 97489696 PSVCKPNATHGITP-CYBMUJFWSA-N 299.201 3.582 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 334872820 HQZLPVLDHIZVNZ-UHFFFAOYSA-N 295.729 3.530 30 20 CHED C=CCCC(=O)N[C@@H](CC)c1cccc(Cl)c1 338605200 GRPWQGIXFXXLCV-ZDUSSCGKSA-N 251.757 3.874 30 20 CHED COc1ccc(/C=C2\COc3c(C)cccc3C2=O)cc1 141625510 KLTXEZUAZJOPBE-GXDHUFHOSA-N 280.323 3.662 30 20 CHED COc1cc(CNc2ccc3c(c2)CCC3)ccc1C#N 235011556 BBSXWVMLTANMRT-UHFFFAOYSA-N 278.355 3.668 30 20 CHED C=C(C)CCNc1cccc(C(=O)OC)c1Cl 431097585 NBEGVZHCFUHAIZ-UHFFFAOYSA-N 253.729 3.505 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](CCC)CC1CCCC1 91967053 VYYIKKYLUPEMFW-GJZGRUSLSA-N 264.413 3.791 30 20 CHED C=C(C)CCN1CCC2(CC1)OCCc1ccsc12 334170331 BCBBUVUOJUEDIX-UHFFFAOYSA-N 277.433 3.578 30 20 CHED COc1ccccc1[C@H]1CCN(CC(C)(C)CCC#N)C1 93594018 FEUXGCJUZKBOSN-HNNXBMFYSA-N 286.419 3.814 30 20 CHED CCc1cc(C#N)c(NC(=O)CSCCC(C)C)s1 98105440 QYEWTOOWIIXWRR-UHFFFAOYSA-N 296.461 3.900 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1ccc(OCC#N)cc1 246387873 KOHPTZDNSKQLHI-HALDLXJZSA-N 272.392 3.503 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1ccc(F)c(C#N)c1 340904781 SHZFHDOGBRFPRZ-UHFFFAOYSA-N 296.345 3.668 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1nc2c(s1)CCCC2 432625982 DXQOOIIYTUNSDK-UHFFFAOYSA-N 293.436 3.746 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H]2CCC[C@@H]21 342866615 GINTZGFRPDGEAA-HOTGVXAUSA-N 279.424 3.541 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCCC1CCCCC1 437244733 NBGXMERGGZWLSI-JKSUJKDBSA-N 251.414 3.528 30 20 CHED C=CCN[C@H](C)c1cc(F)c(Br)cc1F 527893298 MDTXLMHDAQJPSX-SSDOTTSWSA-N 276.124 3.564 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(SC2CC2)cc1 341054714 YNZYHTXXKKFSDF-GFCCVEGCSA-N 288.416 3.563 30 20 CHED CN(Cc1cccc(C#N)c1)c1nccc2ccc(F)cc12 340255578 GQELIUNOUGSXQW-UHFFFAOYSA-N 291.329 3.882 30 20 CHED Cc1nsc(N(C)Cc2ccc(F)c(Cl)c2)c1C#N 343208431 RYLKLZVTUIBJES-UHFFFAOYSA-N 295.770 3.752 30 20 CHED Cc1ccnc(N2CCC[C@H](c3ccccc3)C2)c1C#N 431488617 QKOVSWFBNNNCCQ-INIZCTEOSA-N 277.371 3.646 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(C#N)cc1 609034281 NKPPYSPZPLSKLV-QZTJIDSGSA-N 298.430 3.822 30 20 CHED Cc1nc([C@@H](C)Sc2ccc(Cl)cc2C#N)no1 601912383 KRZTXPMGCAGPAY-SSDOTTSWSA-N 279.752 3.756 30 20 CHED N#Cc1cc(Cl)ccc1N1CCCc2occc2C1 341046045 FTYAMQCWBMQSPA-UHFFFAOYSA-N 272.735 3.757 30 20 CHED C=CC1CCN(C(=O)N[C@H](CCC)c2ccccn2)CC1 600869333 KXPCUSAKYTYNFS-MRXNPFEDSA-N 287.407 3.530 30 20 CHED N#C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C1CC1 601072244 GLYKHMHKDLOJRF-LLVKDONJSA-N 291.763 3.784 30 20 CHED Cc1cc(C)n(-c2ccccc2CNC[C@H](C)CCC#N)n1 602568538 OOKCESQBNCGITO-CQSZACIVSA-N 296.418 3.519 30 20 CHED C[C@H](CC1CCOCC1)N[C@H]1CCCc2cc(C#N)ccc21 341663371 ZUJHYGRYUZJWFX-KUHUBIRLSA-N 298.430 3.730 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CC)CC1CCCC1 437513790 AGZLLZNJGMGUPE-BBWFWOEESA-N 293.451 3.690 30 20 CHED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)CCC#N 602440694 RURZYSRWOMJFRK-AWEZNQCLSA-N 289.379 3.745 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccccc1OC(F)(F)F 430743562 LEGYPSALLJOPEV-LLVKDONJSA-N 298.308 3.930 30 20 CHED C[C@H](CCC#N)CN1Cc2cccc(Br)c2C1 602620350 VVJOOEJSQFQBGL-LLVKDONJSA-N 293.208 3.705 30 20 CHED Cc1ccc(CC(C)(C)NC[C@H](C)CCC#N)cc1 602697023 SKXDHRGQJLHBAB-OAHLLOKOSA-N 258.409 3.846 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)c(F)c1 523511144 XKHLTLFOMDDROI-UHFFFAOYSA-N 263.356 3.953 30 20 CHED O=C(/C=C\c1cc(F)c(F)cc1F)c1ccco1 255356463 GXVQZLZIERELEJ-ARJAWSKDSA-N 252.191 3.593 30 20 CHED COCCCOc1ccccc1NCc1ccccc1C#N 609221882 HLGGZQKASUHKSM-UHFFFAOYSA-N 296.370 3.586 30 20 CHED N#Cc1c[nH]c(C(=O)NC2CCC3(CCCCC3)CC2)c1 345682796 MWDXPLBSJFVNLR-UHFFFAOYSA-N 285.391 3.509 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(CC)ccc1O 606933311 YSGMYDYPGDDNHH-UHFFFAOYSA-N 275.392 3.773 30 20 CHED CCN(C(=O)C[C@H](C)c1ccco1)c1ccc(C#N)cc1 602275603 JFKZEKIPMZHJEE-ZDUSSCGKSA-N 282.343 3.698 30 20 CHED CCN(CCC#N)[C@@H](C)c1cc(C)c(OC)cc1C 602437696 JNEVYCLUWGNWIH-AWEZNQCLSA-N 260.381 3.609 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)/C=C\c1ccccc1C#N 255165746 QYZGSMLGXVQHNT-HIZYVFIXSA-N 282.387 3.609 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 448960833 LBAWBNFKWYRLAU-NSHDSACASA-N 299.336 3.965 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccns1 602444692 NLLQBOMOKHMNAF-UHFFFAOYSA-N 285.416 3.673 30 20 CHED C[C@@H](CCC#N)CNC1(c2ccc(Cl)cc2)CC1 602567038 SZAAVSSBPSKGSM-LBPRGKRZSA-N 262.784 3.859 30 20 CHED COc1ccc(-c2ccc(CC3(CN)CC3)cc2)cc1C#N 600788831 OHFAPOPJLVEIQL-UHFFFAOYSA-N 292.382 3.515 30 20 CHED CC(C)[C@@H]1CN(CC(C)(C)CCC#N)[C@@H]1C(C)C 449559880 ZOYRDWHKPBNNNM-LSDHHAIUSA-N 250.430 3.929 30 20 CHED Cc1ccc([C@H]2CCN(c3ccc(C#N)nc3)C2)c(C)c1 359873825 JAYCGDAHCIEVLZ-HNNXBMFYSA-N 277.371 3.564 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)c2ccccc2F)c1 355390457 GDDXIVTYYPMSKS-UHFFFAOYSA-N 295.317 3.524 30 20 CHED CSc1ccc(CN(C)Cc2cccc(C#N)c2)s1 356092865 IPFFMMWNHFUETM-UHFFFAOYSA-N 288.441 3.974 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc2n[nH]cc2c1 530597181 DVEKJTCSBMJKFM-UHFFFAOYSA-N 297.402 3.771 30 20 CHED Cc1nc(C)c(NC(=O)C[C@H](CC#N)c2ccccc2)s1 356377855 MOXLCNKZBBIMPQ-AWEZNQCLSA-N 299.399 3.786 30 20 CHED CN(C(=O)c1ccc(C#N)s1)C1CCC(C)(C)CC1 446449618 NBAOAZNJLSAWEZ-UHFFFAOYSA-N 276.405 3.661 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2scnc2C(C)(C)C)C1 617782977 QHGOCHXEDXLKDB-GFCCVEGCSA-N 292.448 3.869 30 20 CHED C[C@H](CCC#N)CN1CCN(CC2CC2)c2ccccc21 618887578 FTCMGIMNCAHYOM-OAHLLOKOSA-N 283.419 3.663 30 20 CHED CN(CC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Cl 269154318 RPNLHFDNFTZIGJ-UHFFFAOYSA-N 279.771 3.721 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(C)C 700567939 WIBAWIQENOKKPE-RISCZKNCSA-N 295.835 3.595 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc3nc[nH]c23)CCCC1(C)C 444635810 LNOZYZBIVREZAH-OAHLLOKOSA-N 297.402 3.770 30 20 CHED COCCOc1ccc(CNc2cc(C)cc(C#N)c2)cc1 449757575 DRZZAJMQDKWPKQ-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](C)Cn1ccnc1C 449075457 RDIAXEJIPVGRGS-HUUCEWRRSA-N 263.429 3.552 30 20 CHED CCC(CC)[C@@H](C)C(=O)NCc1ccc(C#N)c(Cl)c1 619765324 GQAFIGDGEKQZHI-LLVKDONJSA-N 292.810 3.900 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CO[C@@H]1CCC[C@H](C)C1 530348191 PXYUHNWPSDDRJG-LSDHHAIUSA-N 294.439 3.513 30 20 CHED C=CCC[C@@H](NCC1(CC#N)CC1)c1ccccc1 619535108 MRBUSUGFPXAQRA-MRXNPFEDSA-N 254.377 3.977 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H](n2ncc3ccccc32)C1 368000684 MJFFRCGUTBDZGM-MRXNPFEDSA-N 296.418 3.613 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC(F)F)cn2)CCCC1 452156970 FBSXJGGBYWQPFH-UHFFFAOYSA-N 296.317 3.758 30 20 CHED CC[C@H](C)CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 364384941 VUCHDMTXJBIJRI-USXIJHARSA-N 284.403 3.721 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2sccc2C)C1 617783115 UKZHSFAPCMVBRB-QLFBSQMISA-N 289.444 3.975 30 20 CHED N#CC1(CN[C@@H]2CCCC[C@@H]2c2ccccc2)CCC1 450754421 CLUPDSUOMBMNRZ-IAGOWNOFSA-N 268.404 3.996 30 20 CHED C=CCCCC(=O)NC[C@@H](COC)c1ccc(Cl)cc1 452748987 LCQCHSQFJCSONU-AWEZNQCLSA-N 295.810 3.543 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CC(C)(C)C#N)C1 278288491 GQHFHKDETYLAAL-HUUCEWRRSA-N 284.403 3.639 30 20 CHED C=CCOCCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 451352532 HVEFFWGBWBTGDA-HNNXBMFYSA-N 283.774 3.722 30 20 CHED N#CCCN(CCc1cccc(Cl)c1)CC1CC1 459340078 ORMCXRHJWBIRIW-UHFFFAOYSA-N 262.784 3.508 30 20 CHED N#CCCCNC(=O)NC1(Cc2ccccc2)CCCCC1 613526510 TWHCKROHJMSCAX-UHFFFAOYSA-N 299.418 3.535 30 20 CHED Cc1ccccc1[C@@H](NC(=O)CC(C)(C)C#N)C(C)C 278249821 BSSUITODQFHOBP-INIZCTEOSA-N 272.392 3.748 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)c2cc(C#N)cs2)C1 456985117 BUDXLAVHGFQHHR-GVXVVHGQSA-N 276.405 3.564 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452642333 HNBPTGUCBFPZKJ-VXGBXAGGSA-N 276.767 3.781 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H]2CCCCS2)c1 542143974 OKCQMHSKTMSELM-OAHLLOKOSA-N 291.416 3.866 30 20 CHED CN(CCC(C)(C)C#N)Cc1c(F)cccc1Cl 540667737 NFHLLYALUOTKBE-UHFFFAOYSA-N 268.763 3.851 30 20 CHED C=C(C)CCNC(=O)N(Cc1c(F)cccc1F)C1CC1 459003131 OLVNXUUQRRKEKC-UHFFFAOYSA-N 294.345 3.605 30 20 CHED CC1(C)CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 456021602 RYTHHWRERZQNSF-INIZCTEOSA-N 298.430 3.822 30 20 CHED Cc1ccc(C[C@@H](C)N(C)CC2(C#N)CCC2)cc1 450425607 NOZVZFUZUUEYDR-OAHLLOKOSA-N 256.393 3.552 30 20 CHED C=C(CNC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 360219544 DEYYGLSLDPSRRX-UHFFFAOYSA-N 296.757 3.655 30 20 CHED CC[C@@H](C)c1noc([C@@H](C)c2cccc(C#N)c2)n1 361023734 YXINRISTHPSPTB-MNOVXSKESA-N 255.321 3.607 30 20 CHED C=CCOc1ccc(CN[C@H]2CCO[C@@H](C)C2)cc1Cl 271266536 NNMSGVKFWGPPPX-JSGCOSHPSA-N 295.810 3.562 30 20 CHED COc1ccc(C#N)cc1NCCCCC1CCOCC1 540808519 IMVSYYFRQHRYNT-UHFFFAOYSA-N 288.391 3.576 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](c1cccs1)C1CC1 540768316 UZCSPTJGHBAEPU-TZMCWYRMSA-N 278.421 3.853 30 20 CHED CC(C)(C#N)c1ccccc1CSc1ncco1 277984016 MQDKKIWNZVINKQ-UHFFFAOYSA-N 258.346 3.768 30 20 CHED C=C(CNCc1cc(OC)ccc1OC)c1ccccc1 620756665 LBCWIFDULCUSQL-UHFFFAOYSA-N 283.371 3.507 30 20 CHED C=CCCn1ccc(-c2ccc(Br)cc2)n1 549514535 QCCMUBGYQMUVHT-UHFFFAOYSA-N 277.165 3.889 30 20 CHED CC[C@H](C#N)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 275410208 CGNBVWVQQXNWTE-NVXWUHKLSA-N 299.805 3.911 30 20 CHED C=C(C)C[C@H](C)C(=O)NCC(C)(C)Oc1ccccc1 466433525 IMZIIAXPQHMTLI-AWEZNQCLSA-N 275.392 3.563 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Cc1cccc(Cl)c1 467080281 DWJUEHPAAHVPGA-GFCCVEGCSA-N 265.784 3.553 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C(C)C)C1CCCCC1 281039677 VLWJKIKULAYRPW-UHFFFAOYSA-N 274.364 3.643 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1csc2ccccc12 286240874 UTHUHBVIGHPNBE-HNNXBMFYSA-N 273.357 3.884 30 20 CHED CC1(C)CN(CC#Cc2ccc(F)cc2)[C@H]2CCC[C@H]21 550433081 DDSLQFWRMJJXTL-SJORKVTESA-N 271.379 3.688 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(C#N)cc2)CC1 469478367 RECHPQZFJRDYCC-ROUUACIJSA-N 298.430 3.822 30 20 CHED C=CCCCC(=O)Nc1cnn(-c2ccc(C)cc2C)c1 467114412 SXQRVDCKLRPDCI-UHFFFAOYSA-N 283.375 3.784 30 20 CHED N#Cc1ccnc(NC2(Cc3ccc(Cl)cc3)CCC2)n1 556212151 KOECZYDCQFZEFG-UHFFFAOYSA-N 298.777 3.579 30 20 CHED C=C[C@H](C)NC(=O)NCc1ccc(C)cc1O[C@@H](C)CC 464759562 WHVMCNANJYBJSE-KBPBESRZSA-N 290.407 3.546 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1ccc(F)c2ccccc12 554742046 APTLWTNDRXAVTD-ZIAGYGMSSA-N 287.378 3.957 30 20 CHED C=CCC[C@H](NC[C@@]1(C)CCO[C@H]1C1CC1)C1CC1 468044961 NYSKJFRDKHBDKI-YESZJQIVSA-N 263.425 3.526 30 20 CHED N#Cc1[nH]c(=N[C@@H]2CCC[C@@H]2c2ccccc2)ccc1Cl 558117085 QRQHUUOAIXBHEY-UKRRQHHQSA-N 297.789 3.777 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cn(C(C)C)cn1 281147609 FESVMVAUYWFJAR-UHFFFAOYSA-N 289.423 3.673 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C)c1c(F)cncc1F 285726943 QPGVCSXOJJGMLA-WDEREUQCSA-N 254.324 3.755 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 465100751 CPTWZJNTUSKTEN-ZJUUUORDSA-N 286.202 3.863 30 20 CHED C=C(C)CCc1noc(-c2ccn(C3CCCC3)n2)n1 551956315 USWGDMLKTRJMQK-UHFFFAOYSA-N 272.352 3.557 30 20 CHED CCCCCCCCCN(C)[C@H](C)c1nncn1C 805735323 FCJYNCACJPQDCJ-CQSZACIVSA-N 266.433 3.559 30 20 CHED C=CC1CCN(C(=O)NCC2(CC)CCCC2)CC1 472713768 NUZCVMOGQZUQPE-UHFFFAOYSA-N 264.413 3.564 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C 472772804 PQNSCTIRNQCOHT-HOTGVXAUSA-N 279.399 3.830 30 20 CHED C=CC(C)(C)C(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 295335101 XMKMCLNDHJNFLU-GDBMZVCRSA-N 271.404 3.912 30 20 CHED Cc1ccc2ncc(C#N)c(NCCC(C)(F)F)c2c1 294890366 GZUFIPFHZOUOCF-UHFFFAOYSA-N 275.302 3.872 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccoc1 553004176 MVIKLFAJUQNFKL-SJKOYZFVSA-N 266.344 3.879 30 20 CHED CCCCO[C@@H]1C[C@@H](N(C)CCCSCC#N)C1(C)C 477068237 NXPHYRSPIJDRJW-HUUCEWRRSA-N 298.496 3.549 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C=NN[C@@H]1CCSC1 808003596 QFIINKWPHCHRPY-LLVKDONJSA-N 293.823 3.559 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 644583445 CLDQMTKEDFWPIR-YPMHNXCESA-N 261.365 3.622 30 20 CHED CC(C)OCCNN=C(CCC(C)(C)C)c1cscn1 807982043 WYOVCXFNFAGEEH-UHFFFAOYSA-N 297.468 3.688 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1sc(CCOC)nc1C 293667916 JEXXIJXZWMHGNG-GFCCVEGCSA-N 296.480 3.893 30 20 CHED FCCC[C@@H]1CCCC1=NNC(=S)Nc1ccccc1 800806441 YAOFBQXJVWKHDU-LBPRGKRZSA-N 293.411 3.879 30 20 CHED C=C(CNC(=O)/C=C1\CC[C@H](C)C1)c1ccccc1 807798155 PMVYEXHJAHTVOQ-JMRXEAOASA-N 255.361 3.562 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1nc(-c2ccccc2)cs1 291806911 ZEEKKWLIIJDSSD-GFCCVEGCSA-N 299.399 3.681 30 20 CHED C[C@H](C#N)OCCSCCCc1ccc(Cl)cc1 802752525 RFJOYKLULQTUMA-GFCCVEGCSA-N 283.824 3.934 30 20 CHED C[C@@H]1/C(=C/c2cccc(C(=O)O)c2)C(=O)c2ccccc21 809155667 CSYRWNLZUSPCDM-OKHBPPCESA-N 278.307 3.768 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](CC)c1cccc(OC)c1 567077811 JFQIENLMTGULOB-XJKSGUPXSA-N 290.407 3.752 30 20 CHED N#CC1(CSc2nnc(-c3cccs3)o2)CCCC1 806585239 NPJFGTYETJMHJH-UHFFFAOYSA-N 291.401 3.974 30 20 CHED N#C[C@@]1(C(=O)Nc2cccc3ncccc23)CC12CCCC2 297862095 OLHZLOUTHMBINI-GOSISDBHSA-N 291.354 3.647 30 20 CHED CSc1ccc(-c2noc(CCCC#N)n2)c(Cl)c1 291097818 QSGDIHQXCHXKRN-UHFFFAOYSA-N 293.779 3.958 30 20 CHED C#Cc1ccc(CNc2cnn(-c3ccccc3)c2C)cc1 809634415 BNLMHQNBUBRLGC-UHFFFAOYSA-N 287.366 3.774 30 20 CHED CCCCCCCCCN(C)[C@@H](C)c1nncn1C 805735322 FCJYNCACJPQDCJ-AWEZNQCLSA-N 266.433 3.559 30 20 CHED COC(=O)c1c(F)cccc1NN=C[C@@H]1CCC[C@H](C)C1 800816507 FKFWMHHAHKDPCC-NWDGAFQWSA-N 292.354 3.836 30 20 CHED C=CCC[C@H](N[C@@H](CO)C[C@@H](C)CC)c1ccco1 647337111 KXRBDEAGPNSQOB-ZNMIVQPWSA-N 265.397 3.674 30 20 CHED COc1ccc(C=NOCCC2CC2)c(Cl)c1OC 814246153 UKFBNNDHEBSYPN-UHFFFAOYSA-N 283.755 3.508 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C 483978386 NVSSJSCMLCHZRE-WWGRRREGSA-N 264.413 3.647 30 20 CHED N#Cc1c[nH]c(C(=O)OCc2cc(Cl)cc(Cl)c2)c1 811142205 YLVWGZAKUFVQLR-UHFFFAOYSA-N 295.125 3.550 30 20 CHED N#Cc1cccc(/C=C2\Oc3cccc(Cl)c3C2=O)c1 811698097 HWRDTKDNLXYRDC-ZSOIEALJSA-N 281.698 3.828 30 20 CHED C=CCN(C)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C 640770021 JOCZESPUGMLNSD-UHFFFAOYSA-N 286.297 3.972 30 20 CHED C=CCC1(C(=O)NCC(F)(F)c2ccccc2)CCC1 562225165 CENXLLYZNMSSNK-UHFFFAOYSA-N 279.330 3.641 30 20 CHED Cc1cc(F)ccc1C=NN[C@H](C)COc1ccccc1 811668018 JHZHJXIFTGNSNV-CQSZACIVSA-N 286.350 3.525 30 20 CHED COc1cc(CNc2cncc3ccccc23)ccc1C#N 571845555 YFCKBKKFPKCZDD-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=CCC1(NCc2ccc(OC)cc2Cl)CCOCC1 657633356 MREXSYTXDNIGJZ-UHFFFAOYSA-N 295.810 3.564 30 20 CHED Cc1cc(C)c([C@H](C)NCC(C)(C)CCC#N)c(O)c1 815627381 ZQGADSTYCGDKFP-AWEZNQCLSA-N 274.408 3.990 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(N2CCCCC2=O)cc1 810127417 ZOVWXKMYOFUNOS-OAHLLOKOSA-N 286.419 3.820 30 20 CHED C=CCCCCOC(=O)Cc1c[nH]c2ccc(F)cc12 811008327 DZKGEGSOTHACBC-UHFFFAOYSA-N 275.323 3.749 30 20 CHED C[C@H](C(=O)NCC(C)(C)CCC#N)c1cccc(Cl)c1 577666021 JXNBQBDVLCMFTI-LBPRGKRZSA-N 292.810 3.890 30 20 CHED CC#CCCNC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 483127503 FTYFJCBGCHVFOA-INIZCTEOSA-N 286.419 3.795 30 20 CHED C=CC(C)(C)CNCc1cccc(OC2CC2)c1F 657480997 FQEZWWBYBQQKJI-UHFFFAOYSA-N 263.356 3.669 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNC[C@H]1CCSC1 811660868 WCNGPHDCLAQGDB-NWDGAFQWSA-N 254.443 3.531 30 20 CHED N#Cc1cncc(N[C@@H](c2ccccc2)C2CCCC2)n1 570917216 MTSAPWZEARGXPV-KRWDZBQOSA-N 278.359 3.692 30 20 CHED CC1(COC(=O)/C=C\c2ccccc2C#N)C[C@@H]2C[C@@H]2C1 816135010 PMUAAKIRNHBMQY-SXZNDUFUSA-N 281.355 3.551 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C[C@@H](C)C2CC2)cc1 726941684 IEHFRHYYWIIRJC-CQSZACIVSA-N 270.376 3.678 30 20 CHED N#Cc1ccc(CN=c2ccc3ccc(Cl)cc3[nH]2)cc1 480112169 UMDNGOMFBAIEDU-UHFFFAOYSA-N 293.757 3.794 30 20 CHED C=CCCC1(C(=O)N2CCCc3cc(F)c(F)cc32)CC1 483264991 AWLPLVRMRJWBMJ-UHFFFAOYSA-N 291.341 3.990 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2cccc(C#N)c2C)CC1 578133192 DLMHQGLUWPIVPJ-AWEZNQCLSA-N 268.360 3.942 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(O)c(F)c1 728438944 REZXZOSIOHPBKX-CLFYSBASSA-N 286.302 3.826 30 20 CHED C[C@@H]1CN(c2c(C#N)nnc3ccccc23)c2ccccc21 571574612 WDSPSFKOPSBRLU-GFCCVEGCSA-N 286.338 3.757 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)CCC1 570165449 YBBHEJNDFAYVNO-OAHLLOKOSA-N 284.403 3.738 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCC1(C)CC1 823283985 IWMQAGLUKLVMCV-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED C=CC(C)(C)C(=O)N1CCC(OCC2CCCCC2)CC1 575750888 JWCFSWRBVMLNOB-UHFFFAOYSA-N 293.451 3.787 30 20 CHED N#CC1CCC(CNC(=O)c2cccc(C3CC3)c2)CC1 570341720 OOQVGGJISPLTBB-UHFFFAOYSA-N 282.387 3.624 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 821838844 JQVUZJMEXXFUAQ-MGPQQGTHSA-N 293.432 3.687 30 20 CHED C#Cc1cccc(NC(=S)N(C)C2CCCCC2)c1 726434353 LVSPBDSFZVYHFI-UHFFFAOYSA-N 272.417 3.629 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 821050159 SYCSNMOGPPNKLC-SNVBAGLBSA-N 284.186 3.830 30 20 CHED C=CCOCC(=O)O[C@H](C)c1ccc(C(F)(F)F)cc1 729758817 QDBYISBJQPXOKJ-SNVBAGLBSA-N 288.265 3.512 30 20 CHED O=C(/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1F 821008045 MYGDMPJSYIBSMZ-TWGQIWQCSA-N 271.247 3.630 30 20 CHED CC[C@@H](CC#N)NCc1nc(-c2ccc(C)cc2)cs1 581675343 PDYVJXVGTSTCDR-AWEZNQCLSA-N 285.416 3.900 30 20 CHED COc1cccc(NN=C(C)c2cccc(C)c2)c1 725853488 RUWBCWYIPJEXSR-UHFFFAOYSA-N 254.333 3.840 30 20 CHED CCCN(C/C=C\c1ccncc1)Cc1ccc(C#N)cc1 495062454 WDSLWPAMVVWHKT-ARJAWSKDSA-N 291.398 3.879 30 20 CHED CCC[C@@H](CC)C(=O)N[C@H](CCC#N)c1ccccc1 821175843 IPAMIJHHYIRARI-GDBMZVCRSA-N 272.392 3.974 30 20 CHED CC(C)CN(CCC#N)C(=O)C1[C@@H]2CCCCCC[C@@H]12 824234039 BXUMBYNPRZIMIO-HUUCEWRRSA-N 276.424 3.601 30 20 CHED CC[C@@H](NCc1cccs1)c1cccc(C#N)c1 902724688 GLHPNCWROIXGBG-OAHLLOKOSA-N 256.374 3.861 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CCC(C)C)C(C)(C)C 736400386 VBSVDJXIOZEPDM-LBPRGKRZSA-N 274.836 3.889 30 20 CHED Cc1cccc([C@@H]2CCN(C(=O)CCCCCC#N)C2)c1 588164170 YWALYWBXGMWUBF-QGZVFWFLSA-N 284.403 3.785 30 20 CHED CC[C@H](N[C@@H]1CC[C@H](SC)C1)c1cccc(C#N)c1 902821367 IVQIVIIHNPYZGO-PMPSAXMXSA-N 274.433 3.883 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCCc1cccnc1 666264514 NVCJGDJCTPLCNW-UHFFFAOYSA-N 294.398 3.619 30 20 CHED COc1cc([C@H](C)NCC(C)(C)C#N)ccc1SC 903099998 FKIBRYIRMNZSDM-NSHDSACASA-N 278.421 3.617 30 20 CHED C=CCCC[C@@H](NCC1CCC(C(C)C)CC1)C(=O)O 900069337 YDCSPSXWPUZZPL-UYSNPLJNSA-N 281.440 3.848 30 20 CHED C=CCCCOC(=O)c1cccc(Nc2ccc(C)nn2)c1 736878113 WHKWMLMCXDDXCG-UHFFFAOYSA-N 297.358 3.652 30 20 CHED COc1cc(C(=O)/C=C\c2cc(F)ccc2C)ccc1O 588393998 CHFJPGZPGNZGMM-DAXSKMNVSA-N 286.302 3.744 30 20 CHED CCOc1cc(/C=C\C(=O)c2cncc(C)c2)ccc1OC 588476611 XZTHSFVEPPETAI-ALCCZGGFSA-N 297.354 3.693 30 20 CHED CC(C)(C)c1cnc(SCc2cc(C#N)ccn2)o1 901510269 YTSGXIMDHJBXLA-UHFFFAOYSA-N 273.361 3.531 30 20 CHED COCCC(=NNc1ccccc1)c1ccc(F)cc1 734744347 NGIYPSOWNFLOTG-UHFFFAOYSA-N 272.323 3.678 30 20 CHED C[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730615318 UIGMTOYLYJNKHM-PPKCKEKNSA-N 284.142 3.552 30 20 CHED CCC(CC)=NNc1nc(-c2ccc(Cl)cc2)no1 732925692 OMPHJUDBYPTDPC-UHFFFAOYSA-N 278.743 3.978 30 20 CHED C=C(C)CN(CC)C/C=C/c1ccc(F)c(F)c1 580498557 VGOAMAVXMMHEGG-AATRIKPKSA-N 251.320 3.876 30 20 CHED O=C(O)c1ccc(NN=C2CCCCCC2)cc1F 835009972 JTEGXUPSCADCET-UHFFFAOYSA-N 264.300 3.646 30 20 CHED C=CCC1(NC(=O)c2c(C)noc2C2CC2)CCCCC1 839417573 BUBKDCOJHPNWFL-UHFFFAOYSA-N 288.391 3.869 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(F)cc1C 731314161 CLYYYXVIFHQQPY-UHFFFAOYSA-N 267.307 3.842 30 20 CHED CCCCCCCCC(=O)NCCN1CCC(C)CC1 915630958 POVCPYJWZLDFKP-UHFFFAOYSA-N 282.472 3.585 30 20 CHED CC(C)[C@@H]1CCCC(=NN[C@H](C)C(F)(F)F)C1 834998507 UXZMOTSWAUAPJR-NXEZZACHSA-N 250.308 3.729 30 20 CHED CCOc1ccc(/C=N\CC2Cc3ccccc3C2)c(O)c1 735228507 CLJGWSQNWAZQMR-MOSHPQCFSA-N 295.382 3.625 30 20 CHED N#CC1(COC(=O)C2=C(c3ccccc3)CCCC2)CC1 835414919 ROUKXSKCQPJVKC-UHFFFAOYSA-N 281.355 3.861 30 20 CHED COc1cccc(/C=N/CCC2CCCCC2)c1O 914702021 VFLPDBQCJNULFQ-SFQUDFHCSA-N 261.365 3.790 30 20 CHED CCC(=NNc1c(C)cccc1Cl)c1cnn(C)c1 835010503 CNLNAQZOMOAONK-UHFFFAOYSA-N 276.771 3.608 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2cccnc2)cc1 917552654 UMVNCOMDQSLBLR-AWEZNQCLSA-N 267.376 3.890 30 20 CHED CC[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@H](C)C#N 597081527 BTLDZIMKCOHRKS-BXUZGUMPSA-N 284.325 3.776 30 20 CHED CCCOc1ccc(CN(CCC#N)C(C)C)c(C)c1 596988084 RXQJOXRFWTWAGY-UHFFFAOYSA-N 274.408 3.908 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1cccc(C#N)c1 748449851 PCGGDXAEPGMTRW-GJZGRUSLSA-N 297.379 3.775 30 20 CHED CCc1cccc2c(C=NNc3cc(C)nc(C)n3)c[nH]c12 915970842 PFRVHQVHFJOSJH-UHFFFAOYSA-N 293.374 3.583 30 20 CHED CC(C)O[C@H]1CCCN(c2c(Cl)cccc2C#N)C1 593487298 OESZWLNYEJZRJY-ZDUSSCGKSA-N 278.783 3.605 30 20 CHED C=C(C)CN1CCC(N[C@H]2c3ccccc3CC[C@@H]2C)CC1 678769132 LOYWLDJMIXBSDZ-OXJNMPFZSA-N 298.474 3.940 30 20 CHED COc1cc(C=NNc2cc(C)ccc2C)cc(OC)c1 916346467 CXMYJONEUMUCET-UHFFFAOYSA-N 284.359 3.767 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Nc1cc(C)nn1C 918135450 HBSZOEBDUSJMAG-ZDUSSCGKSA-N 294.443 3.847 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)cc1SC 598852264 FYPXYHYRMXMQTD-CYBMUJFWSA-N 282.796 3.940 30 20 CHED Cc1cc2cc(NC(=O)N3CCC[C@@H](CC#N)C3)ccc2[nH]1 596729505 NSVJFCOOYRUDFF-ZDUSSCGKSA-N 296.374 3.634 30 20 CHED C[C@H]1C[C@@H](C(=O)N(C)c2ccc(C#N)cc2F)CC[C@H]1C 590982131 RNIDXCIWMDWEON-DYEKYZERSA-N 288.366 3.732 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(-c2cnco2)cc1 918551011 KTNTVWDGUQGTOU-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=C(C)CNC(=S)N(Cc1ccccc1F)CC(C)C 745695083 PRXZAFBAVVUXFT-UHFFFAOYSA-N 294.439 3.734 30 20 CHED CCCCN(Cc1ccccc1F)C(=O)[C@@H](C#N)CC 593402265 JJHWRGZLGXGTTA-CYBMUJFWSA-N 276.355 3.504 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)n1 598858257 ZRMGWGBEYZALQF-FOLVSLTJSA-N 297.402 3.725 30 20 CHED COc1ccc2c(c1)O/C(=C/c1cc(F)ccc1F)C2=O 749131508 ANMCKJJWLJXTTH-VIZOYTHASA-N 288.249 3.590 30 20 CHED CC[C@H](C#N)C(=O)N1CCC(CCc2ccc(C)cc2)CC1 593394024 JEKKVAQEKMNORB-GOSISDBHSA-N 298.430 3.716 30 20 CHED C/C=C(/C=C/C(=O)N[C@H]1CCCc2cc(C#N)ccc21)CC 841465879 OEFUYTDDBPROEJ-YFWBOZOPSA-N 294.398 3.964 30 20 CHED COCC[C@H](Cc1ccco1)Nc1ccc(C#N)cc1C 846754606 UHTYNLXMJAGIKW-OAHLLOKOSA-N 284.359 3.519 30 20 CHED C=C(C)CN(CC)C(=O)NCC(CC)(CC)SC 745908141 BFOCOSJIQJAXPX-UHFFFAOYSA-N 272.458 3.516 30 20 CHED C=CCCCC(=O)OCC(=O)Nc1ccccc1C(C)C 748241169 XXAOCPYIMSAUCZ-UHFFFAOYSA-N 289.375 3.648 30 20 CHED C=CCCCCCNc1ccn(-c2ncccc2F)n1 683738445 CNUAGUYPTNACMH-UHFFFAOYSA-N 274.343 3.565 30 20 CHED CCOc1ccccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 748679994 MXSXMGYHNZRSEP-CYBMUJFWSA-N 295.338 3.875 30 20 CHED N#Cc1ccc(CC(=O)OCCC2(C#N)CCCCC2)cc1 840219807 KMOZZXQVZINNGL-UHFFFAOYSA-N 296.370 3.508 30 20 CHED COC[C@@H](CC(C)(C)C)Nc1ccccc1O[C@@H](C)C#N 845951823 ROTARKCFFGVZLT-UONOGXRCSA-N 290.407 3.841 30 20 CHED CC(C)[C@H]1CCCC1=NNc1nc(O)c2ccccc2n1 747766762 XAMCSSAMXWPDAN-LLVKDONJSA-N 284.363 3.559 30 20 CHED Cc1ccc(C)c(NN=Cc2cnc3ccccc3n2)c1 744743262 SRIJEVDELABIST-UHFFFAOYSA-N 276.343 3.693 30 20 CHED CC(C)=CCCn1cc(C#N)c(=O)c2cc(Cl)ccc21 594889759 AITDFVWHFMYPHM-UHFFFAOYSA-N 286.762 3.883 30 20 CHED CC(C)=CCCC(C)=Nn1c(S)nnc1C(F)(F)F 749156686 KNNUXAWRWHIDOD-UHFFFAOYSA-N 292.330 3.556 30 20 CHED CCCCCCCSCc1nc(C2CC2)nn1C 843304626 NNCOKPAWRLJRBQ-UHFFFAOYSA-N 267.442 3.896 30 20 CHED CCCCC/C(C=NN[C@H](C)CO)=C\c1ccccc1 749821521 POAAMCVYHKDGCY-FGEHDQHSSA-N 274.408 3.607 30 20 CHED COC[C@H](C)Oc1ccc(CNc2ccccc2C#N)cc1 596026921 RZEMKWSMILQRKG-AWEZNQCLSA-N 296.370 3.584 30 20 CHED Cc1cc(C2=NN/C(=N/C(C)(C)C)SC2)cc(C)c1F 743277817 VVEZEIJQXPXRBK-UHFFFAOYSA-N 293.411 3.638 30 20 CHED CCCCCCCCN1CCC([C@H]2NC(=O)C2(C)C)CC1 846928951 JDMRXICCMWSBMK-MRXNPFEDSA-N 294.483 3.584 30 20 CHED Cc1nc2ccc(NC(=O)C#Cc3ccccc3)cc2s1 747345493 NIPJXDRAQJQJNO-UHFFFAOYSA-N 292.363 3.595 30 20 CHED CC(=NNc1nccnc1Cl)[C@@H]1C[C@H]2C=C[C@H]1CC2 842527146 JFMVWKJEMCOPIH-SRVKXCTJSA-N 276.771 3.520 30 20 CHED COc1ccc(/C=C/C(=O)c2coc(C(C)C)n2)cc1C#N 752888532 MEAWMPBMTOHXOT-GQCTYLIASA-N 296.326 3.574 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2N2CCCCC2)CC1 929198172 UJTMAMNIUGBNBM-UHFFFAOYSA-N 299.418 3.861 30 20 CHED Cc1ccc(C=NNc2cccc(Cl)c2F)o1 921137971 WYSIJABHEWVLOK-UHFFFAOYSA-N 252.676 3.827 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1coc(-c2ccccc2)n1 925153189 KKDWLCALPAWKNS-ZDUSSCGKSA-N 283.375 3.760 30 20 CHED CC(=NOCC(F)F)c1ccc(F)c(Br)c1 758903887 KUVVMXIJOHTCBC-UHFFFAOYSA-N 296.086 3.594 30 20 CHED COCC#CCN[C@H](C)c1ccc(Cl)c2ccccc12 680898742 SIZYHWUBRVHCQY-CYBMUJFWSA-N 287.790 3.794 30 20 CHED Cc1ccc(-c2ncc(C=NOCC(F)F)s2)cc1 758909978 GLQXWVLITGGFDY-UHFFFAOYSA-N 282.315 3.734 30 20 CHED COc1cc(C=NN2CCCC[C@@H]2C)ccc1SC 853380695 RPHQHEVXPAHFOO-LBPRGKRZSA-N 278.421 3.625 30 20 CHED C#CCCOC(=O)N[C@H](C)c1ccc(SCC)cc1 858943868 CRMIHOCBNPHPEY-GFCCVEGCSA-N 277.389 3.609 30 20 CHED COC[C@H](C)Oc1ccc(C=NOCc2ccccc2)cc1 853286499 HZVPAOHRUCXLHR-HNNXBMFYSA-N 299.370 3.651 30 20 CHED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Cc2c(F)cccc21 921264764 YYLLSUJROKJRRX-YRNVUSSQSA-N 283.258 3.556 30 20 CHED C[C@@H]1CCCCN1N=Cc1cc(F)cc2cccnc12 853379292 HNQIHLUWCAFHDS-GFCCVEGCSA-N 271.339 3.582 30 20 CHED CCc1ccc(C(=O)/C=C\c2nc(Cl)cs2)o1 759086146 ZYOUCTCKBZCWEI-XQRVVYSFSA-N 267.737 3.848 30 20 CHED CC[C@H](NCc1cccc2c1OCC2)c1ccc(C#N)cc1 927089887 GVMQDWOJRLUPLT-SFHVURJKSA-N 292.382 3.734 30 20 CHED N#Cc1ccccc1COC(=O)c1cc(F)cc(Cl)c1 757118069 ZFOMCRDDIXRPMG-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1ccc(OCC(=O)O[C@H](C)CC(C)(C)C#N)c(C)c1 851213270 FBJXIEUOIWAPCR-CQSZACIVSA-N 289.375 3.554 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1c1ccccc1Cl 753259384 STEBRXCPZKZOAT-SWLSCSKDSA-N 290.794 3.598 30 20 CHED C#CCCOC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 858992791 JQTWQFUWIBICII-VIFPVBQESA-N 286.158 3.804 30 20 CHED CC(CCc1ccccc1F)=NN=c1cc[nH]cc1Cl 756848625 KDTVZBLJXMMDFH-UHFFFAOYSA-N 291.757 3.717 30 20 CHED CCOc1ccccc1C(C)=NNc1ccc(OC)cc1 750923315 WXWNEXDDDCMHSX-UHFFFAOYSA-N 284.359 3.930 30 20 CHED CCCCCCCCNC(=O)c1ccc([S@](C)=O)cc1 754854996 RDUBNCFEQVHVSO-FQEVSTJZSA-N 295.448 3.514 30 20 CHED CCCOc1ccc(NCc2ccc(C#N)o2)cc1C 858309197 IACQWHJYQLQQRW-UHFFFAOYSA-N 270.332 3.861 30 20 CHED C#CC[C@H](NC(=O)N1CCC(C)(C)CC1)c1ccccc1 757769457 XLRQLNGFKDKUCB-INIZCTEOSA-N 284.403 3.583 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@H](CC(C)C)C2)c1 759502127 KNSRKKNRXYXIRW-MRXNPFEDSA-N 284.403 3.958 30 20 CHED CC(C)=C(C)C(=O)Nc1cccc(OCCCC#N)c1 751192391 MVXATYJEHVEDKA-UHFFFAOYSA-N 272.348 3.664 30 20 CHED CC(C)(C)c1cnc(S[C@H](C#N)C2CC2)s1 865359504 MWCFTBGUUJLAOD-SECBINFHSA-N 252.408 3.835 30 20 CHED CC[C@H](CC#N)OC(=O)CCc1ccc(Cl)c(F)c1 860695496 WEGRQYITMCUUIX-LLVKDONJSA-N 283.730 3.647 30 20 CHED CC(C)(C)C1CCC(=NNCC(F)(F)F)CC1 769813389 FFMFBRHJDMLFHV-UHFFFAOYSA-N 250.308 3.731 30 20 CHED N#Cc1ccsc1NC(=O)NC[C@@H]1CCCCC1(F)F 931836371 XVCDAKSHIJIBBX-JTQLQIEISA-N 299.346 3.567 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2csc(C)n2)s1 869798249 AHLDHFMKIMZGQY-VIFPVBQESA-N 292.385 3.639 30 20 CHED O=C(/C=C\c1nc2ccc(F)cc2s1)c1cscn1 761479728 MSYRRPZKXBQMLP-ARJAWSKDSA-N 290.344 3.788 30 20 CHED CS[C@@H](C)CCC(=O)O[C@H](C#N)C1CCCCC1 762929006 OLGMIPWYAGGKFC-WCQYABFASA-N 269.410 3.534 30 20 CHED Cn1c(NN=C/C=C\c2ccccc2)nc2ccccc21 864010495 CHBNLUCHRSMTGE-OIAJVEJOSA-N 276.343 3.684 30 20 CHED CCC(CC)[C@H](C)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 762019798 YNRGPAUVASQWBI-AAEUAGOBSA-N 283.375 3.811 30 20 CHED CCC(CC)C(=O)OCc1ccccc1C(C)(C)C#N 768004620 HGDCIHGMWWBFPS-UHFFFAOYSA-N 273.376 3.967 30 20 CHED OC1CCC(=NNc2c(Cl)cccc2Cl)CC1 761811956 WUYTXRGOOCGCRJ-UHFFFAOYSA-N 273.163 3.696 30 20 CHED N#CCC1(OC(=O)Cc2cc(Cl)cc(Cl)c2)CCC1 860745331 MGIXSPBYAOCOHR-UHFFFAOYSA-N 298.169 3.915 30 20 CHED CC[C@](C)(C#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 765357861 IEKHPRLWEHLVBE-FBMWCMRBSA-N 276.424 3.958 30 20 CHED Cc1cc(C)c2c(c1)C(=NNc1ccc(F)cn1)CCCO2 763175785 LMVYYZCUCAXWHA-UHFFFAOYSA-N 299.349 3.826 30 20 CHED C#Cc1cccc(NCCc2ccc(F)c(F)c2)c1 768494606 AQBBNWPIYDVWPM-UHFFFAOYSA-N 257.283 3.601 30 20 CHED O=C(/C=C\c1cc(F)c(F)cc1F)c1ccccc1O 767729138 LQEDLXFUEUSOHT-WAYWQWQTSA-N 278.229 3.706 30 20 CHED C=CC[C@@H](OC(=O)c1ncc2n1CCCC2)c1ccccc1 870303739 UTKIIYOTTJQPBS-MRXNPFEDSA-N 296.370 3.694 30 20 CHED CCSc1cccc(C=NOCc2cccnc2)c1 769800618 ZLVKZWKLYFYMOL-UHFFFAOYSA-N 272.373 3.744 30 20 CHED CC(Cc1ccsc1)=NNc1ccc(F)c([N+](=O)[O-])c1 769828483 IJXQASUBNWLAKG-UHFFFAOYSA-N 293.323 3.826 30 20 CHED C#CC[C@@H](N[C@@H](C)C1CCSCC1)c1ccccc1 779037680 DVLPYMMADNGVSB-WMLDXEAASA-N 273.445 3.872 30 20 CHED C#CCCCCN[C@@H]1CCCOc2c(C)cc(C)cc21 773035900 LUBURDHYSGJVHZ-QGZVFWFLSA-N 271.404 3.910 30 20 CHED CCOCCON=C(C)c1ccc(OC)c2ccccc12 774434043 DJMTXSKOPWKPTM-UHFFFAOYSA-N 287.359 3.626 30 20 CHED C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 775834868 RMZLIHVNDOCACB-HNNXBMFYSA-N 296.389 3.594 30 20 CHED CCCCCCCCOC(=O)c1cnc(C)nc1C 777184692 FCFBBJICZBFURH-UHFFFAOYSA-N 264.369 3.611 30 20 CHED N#C[C@@H](OC(=O)CSc1ccccc1)C1CCCCC1 776363676 GCJVEFYSZXKOEW-OAHLLOKOSA-N 289.400 3.794 30 20 CHED C=CC[C@@H](N[C@@H]1CCCc2ncccc21)c1ccncc1 1118991936 TUZJURWNOHHRLU-SJLPKXTDSA-N 279.387 3.761 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@@H]1C(C)C 773076556 ADOCXNTUONAWTK-GFCCVEGCSA-N 260.385 3.824 30 20 CHED COc1cc(C)c(NCC#Cc2ccc(F)cc2)cc1F 774321643 RZYNRONAIMLISC-UHFFFAOYSA-N 287.309 3.745 30 20 CHED C#CCCCN[C@H](C)c1ccc(OCC2CC2)c(F)c1 775542828 PWFAIXVJNDFJIJ-CYBMUJFWSA-N 275.367 3.679 30 20 CHED N#C[C@@H](OC(=O)Cc1cccc(Cl)c1)C1CCCCC1 776383866 SNRWPBUWMGIHTO-OAHLLOKOSA-N 291.778 3.898 30 20 CHED C=CCC[C@@H](C(=O)O[C@H]1CCSC1)c1ccccc1 778631934 LYCZMJNXCNTSEQ-LSDHHAIUSA-N 276.401 3.785 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1 779769935 CRRBUHWQYMDXCB-NHAGDIPZSA-N 255.361 3.679 30 20 CHED C=C(CC)COC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 773515935 PHZFRLMWNIMEQQ-MNOVXSKESA-N 266.287 3.578 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CC[C@H](O)[C@@H](C)C1 779269155 MGSOZKTVXUDYQK-YFXCHKOLSA-N 295.467 3.913 30 20 CHED CC1(CCC(=O)Nc2cc(C#N)c3ccccc3n2)CC1 1128831661 DHWCIRCMPSPUMH-UHFFFAOYSA-N 279.343 3.625 30 20 CHED C=C(CC)COC(=O)c1cnc2ccccc2c1C 773532173 OATIMLLIEHPNOU-UHFFFAOYSA-N 255.317 3.666 30 20 CHED CCCCCC1=CCCC1=NOC[C@@H]1CCOC1 788038607 JJLOMHLLTHDEEU-CYBMUJFWSA-N 251.370 3.696 30 20 CHED CCc1ccccc1CC(=O)OCc1ccc(C#N)cc1F 785828307 HTTVEXLKMHUELK-UHFFFAOYSA-N 297.329 3.546 30 20 CHED Cc1ccc(CCC(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 1129608495 FLXTZYGBTPJMKG-NVXWUHKLSA-N 285.387 3.862 30 20 CHED CC(Cn1nc(C)cc1C)=NOCCCc1ccc(C)cc1 784047484 OJDWJEPARPDFDN-UHFFFAOYSA-N 299.418 3.834 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc(-c2ccccc2)o1 788034905 WESWSUQAJWHVMR-CQSZACIVSA-N 285.343 3.724 30 20 CHED C=C1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 891667317 BTIHGNBXPIZXLY-UHFFFAOYSA-N 298.308 3.567 30 20 CHED C[C@]1(c2ccccc2)CCC(=NNCCc2ccccn2)C1 789106135 YMWPUSYEWGBTSP-IBGZPJMESA-N 293.414 3.712 30 20 CHED Cc1ccc([C@H](NCc2ccc(C#N)cn2)C2CC2)cc1 783292375 AOESVHAHYPFQQM-SFHVURJKSA-N 277.371 3.503 30 20 CHED CO[C@H](C(C)=NNCc1ccccc1)c1ccccc1 782167200 QZESERDKCYWLPR-QGZVFWFLSA-N 268.360 3.540 30 20 CHED CCC[C@@H](C)C(=O)OCc1ccc(C#N)cc1Cl 784208788 JEFKOKCVPHTSQQ-SNVBAGLBSA-N 265.740 3.691 30 20 CHED CCCCCCCCC(=O)OCc1cnc(C)nc1C 784290254 SFGASPIUZWBEJU-UHFFFAOYSA-N 278.396 3.887 30 20 CHED C=CCCCCCOC(=O)c1cc(F)cc2nccnc12 783100774 WKLBEAWFFSRKLS-UHFFFAOYSA-N 288.322 3.672 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc(-c2nccn2C)c1 892339633 HHCUSVFCDIVJOW-CYBMUJFWSA-N 282.391 3.827 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1nc(C(C)C)oc1C 797167569 OJKGOHCGGXCXKQ-UHFFFAOYSA-N 298.342 3.644 30 20 CHED CC(C)(C#N)CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572481 AIGONRYZZLPLSA-SNVBAGLBSA-N 289.404 3.557 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H](CC)CCCC 791143427 WOMVBMKWBQKBRO-LBPRGKRZSA-N 277.330 3.617 30 20 CHED CC(=NOC1CCOCC1)c1cccc(CC(C)C)c1 794931289 SPTLAAKFMHYKHS-UHFFFAOYSA-N 275.392 3.805 30 20 CHED CC(C)(C)OCCCC(=O)Nc1ccc(Cl)c(C#N)c1 795003247 HINZOPPIUYTSJR-UHFFFAOYSA-N 294.782 3.745 30 20 CHED C=C1CC(c2noc(CCCC(=O)c3ccccc3)n2)C1 896875652 JVQJRSCCGLZNGP-UHFFFAOYSA-N 282.343 3.709 30 20 CHED CCCCCCCc1nc(Cc2cncs2)no1 796133874 LNZGPPMOJYFFGS-UHFFFAOYSA-N 265.382 3.630 30 20 CHED CC(C)(CO)CNN=C1CCC(C2CCCCC2)CC1 799115720 MVGLKIQQHUXFRA-UHFFFAOYSA-N 280.456 3.721 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1ccncc1Cl 899385231 RSBVSINQSZFPAE-PLNGDYQASA-N 287.750 3.553 30 20 CHED C#CCCCCCC(=O)NC[C@H]1CCCCC(F)(F)C1 794596342 VYNWDWMFPCEIRD-AWEZNQCLSA-N 285.378 3.902 30 20 CHED COCC[C@@H]1CCCC1=NN[C@H](C)c1ccccc1 799877331 WDPNXUJSIHLDNV-HIFRSBDPSA-N 260.381 3.530 30 20 CHED CCCCCCCCC[S@@](=O)Cc1nccc(C)n1 790138969 QPWNXVFXWHJXJL-LJQANCHMSA-N 282.453 3.784 30 20 CHED C[C@H]1CC[C@@H]1Nc1ccc(OC(F)(F)F)c(C#N)c1 799737914 QPCDTGGODLDYOW-KWQFWETISA-N 270.254 3.667 30 20 CHED CC(C)(C)c1cnc(/C=C\C(=O)c2ccnc(F)c2)s1 794719658 CIKCWXCNXMMTMB-PLNGDYQASA-N 290.363 3.871 30 20 CHED Fc1ccc(C2=CCC(=NNc3cncnc3)CC2)cc1 794976984 SOBIOOWJCPSNAI-UHFFFAOYSA-N 282.322 3.651 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](C)CCc1ccccc1 797886070 MIDKLEAROSRKDM-GFCCVEGCSA-N 283.327 3.638 30 20 CHED CC[C@@H](C)CON=C(C)CCc1ccc(OC)c(O)c1 793164231 UCEZMRLWLQGLEU-GFCCVEGCSA-N 279.380 3.772 30 20 CHED C=CCN(C(=O)c1cccc(C2CCC2)c1)C(C)C 798389298 XVSHGUUNFCPPLE-UHFFFAOYSA-N 257.377 3.991 30 20 CHED CN1C(=O)/C(=C\c2cccc(C#N)c2)c2cc(Cl)ccc21 799502624 AZMYJVUGHYPXEV-NVNXTCNLSA-N 294.741 3.729 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1ccc(Cl)cc1Cl 797941425 ROAULUAPFXMNPM-UHFFFAOYSA-N 296.109 3.986 30 20 CHED CCCOc1ccc(C(C)(C)NCC2(CC#N)CC2)cc1 1169677063 WPBPCVUFAGYFTO-UHFFFAOYSA-N 286.419 3.994 30 20 CHED CC(C)CNN=C1CCN(Cc2ccc(Cl)cc2)CC1 1319996162 HTSNBOQNWOGAFK-UHFFFAOYSA-N 293.842 3.537 30 20 CHED C#CC[C@@H](NC(=O)CC(C1CC1)C1CC1)c1ccccc1 1319515476 KCUFIRHHYCHDSK-GOSISDBHSA-N 281.399 3.694 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)nc2cc(F)ccc12 1318133747 WYNALKGJWYUZAT-UHFFFAOYSA-N 286.350 3.721 30 20 CHED C=C[C@](C)(CC)c1nnc(-c2ccc(OC)cc2)o1 1327006626 JPNZWJYPUDLLHL-OAHLLOKOSA-N 258.321 3.599 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cc3ccccc3o2)nn1 1321922853 JPBZCZMVNYDFHF-UHFFFAOYSA-N 294.358 3.966 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC(C)(C)CC(C)(C)C1 598189326 YHLKFRUEAUQAPQ-MRXNPFEDSA-N 264.413 3.601 30 20 CHED C[C@H](Cc1ccccc1Cl)Nc1cccc(CC#N)n1 1325710644 VILLYQUKOWUXIL-GFCCVEGCSA-N 285.778 3.844 30 20 CHED Cc1c(N[C@H]2CC[C@H](C#N)C2)cccc1-c1ncco1 1324377463 VEJBBZHGYKIDCI-STQMWFEESA-N 267.332 3.754 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)c(OC)c2)cc1 1253612823 RQGKOUVKBGTPKJ-ONNFQVAWSA-N 286.302 3.739 30 20 CHED C=CCN(Cc1cccc(C(F)F)c1)[C@H](C)COC 661239647 HZNOBEKDDXANOO-GFCCVEGCSA-N 269.335 3.647 30 20 CHED COc1cccc2c1CC[C@@H]2Nc1cc(C#N)cc(Cl)n1 1337888991 VJQSBUGBTNSRIJ-ZDUSSCGKSA-N 299.761 3.715 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C(C)C)nn1CC 1337758645 BOEHRFFIWZTWBQ-CQSZACIVSA-N 289.423 3.597 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@@H](F)C1 1332339429 JJVYZHFDTRZZJL-VYDXJSESSA-N 272.367 3.806 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCC[C@@H]1CCO 779225084 LJNIXUWVQUJTPC-XHSDSOJGSA-N 255.446 3.876 30 20 CHED C=CCC1(NC(=O)Nc2ccc(F)c(N)c2)CCCCC1 1348525434 KJDOBNQPGKCCSU-UHFFFAOYSA-N 291.370 3.808 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Cl)c(OC)c1 1262788648 JOFORXVVZLEGSZ-UHFFFAOYSA-N 253.729 3.643 30 20 CHED CCC(CC)c1nnc(N(C)[C@@H](C)CC#N)n1CC(C)C 1342906164 DQSRDVLURVPBII-ZDUSSCGKSA-N 291.443 3.576 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)NC[C@@H](C)C#N 1444196255 INFUQJJIHIVKSA-ZDUSSCGKSA-N 278.355 3.552 30 20 CHED N#Cc1cc(Cl)ccc1CNc1ccccc1C(=O)O 1601086780 INRQAPQCNHUVIY-UHFFFAOYSA-N 286.718 3.522 30 20 CHED C[C@H](C(=O)N(C)c1ccc(C#N)c(Cl)c1)c1ccccc1 1535034988 QCGIQCZWHRIEQF-LBPRGKRZSA-N 298.773 3.978 30 20 CHED CCCC[C@H](CCC)Nc1c(C#N)cccc1-c1nn[nH]n1 1604163721 SOIWRXJKEDZKGO-ZDUSSCGKSA-N 298.394 3.509 30 20 CHED N#Cc1ccccc1S[C@H](C(=O)O)c1ccsc1 1601127157 DDMQSPKLOXJHRI-LBPRGKRZSA-N 275.354 3.538 30 20 CHED CC(F)(F)c1ccccc1NC(=O)c1sccc1C#N 1543670660 KBPSUNMWNNQSLY-UHFFFAOYSA-N 292.310 3.984 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1Cc2cc(F)c(F)cc2C1 1559945115 HYKRSDHHFVYXFG-LLVKDONJSA-N 284.309 3.913 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](N=c2cc[nH]cc2C#N)CC1 1612261001 BYGHSRDAARAJBY-GJZGRUSLSA-N 271.408 3.782 30 20 CHED Cc1cc(=NCc2cc(Cl)cc(Cl)c2)c(C#N)c[nH]1 1612600715 QNQHRCDNQMWMQL-UHFFFAOYSA-N 292.169 3.603 30 20 CHED CC[C@@H](N=c1cc[nH]c(C#N)c1)c1cc(C)ccc1C 1640275438 XUKZOYMPDKQREK-QGZVFWFLSA-N 265.360 3.555 30 20 CHED Cc1nc(C#N)cc(N[C@H]2c3cccc(F)c3CC[C@@H]2C)n1 1642359833 WXJDLVDWWOIGPA-DYZYQPBXSA-N 296.349 3.531 30 20 CHED COc1cccc(COc2ccc(C#N)cc2F)c1C 1643785291 KWQDIAWGYHYHNF-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C=CCCC[C@@H](NC(=O)[C@H](CC)CC1CCCC1)C(=O)O 1588787043 SVFLNPYPGSOYEA-HUUCEWRRSA-N 295.423 3.519 30 20 CHED C=C(Cl)CN1CCC[C@@H](Cn2cnc3ccccc32)C1 1654183351 HZNGLLUTRSRIAQ-CQSZACIVSA-N 289.810 3.501 30 20 CHED C=C[C@H]1CCCN([C@@H](C(=O)O)c2ccc(F)c(Cl)c2)C1 1776150258 DPAUZCHKCXQSPQ-IINYFYTJSA-N 297.757 3.503 30 20 CHED C=CCN(CC1CCCCC1)[C@@H]1CC[C@@H](CC(=O)O)C1 1776177531 WPKMOHNAFJZUOF-HZPDHXFCSA-N 279.424 3.698 30 20 CHED Cc1c(NN=C[C@]2(C)[C@H](C)[C@]2(F)Cl)cccc1C(=O)O 1776089006 WSCLDHMGGUZGOR-CUOATXAZSA-N 298.745 3.652 30 20 CHED C=C(C)CS[C@H](C)c1cn(-c2ccccc2)nn1 158104521 CSPJMLNHCHPRKM-GFCCVEGCSA-N 259.378 3.638 30 20 CHED N#CC1(c2ccccc2)CC(Nc2ccc3[nH]ncc3c2)C1 158460091 JPXLYQTULRMGDJ-UHFFFAOYSA-N 288.354 3.599 30 20 CHED Cc1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 153671175 PIJPWYPPIIQIHC-KRWDZBQOSA-N 278.355 3.770 30 20 CHED C[C@H]1CC[C@@H](CC(=O)N[C@@H](CCC#N)c2ccccc2)C1 153748725 RDPSQXQHCTULFG-UXLLHSPISA-N 284.403 3.974 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](OC(C)(C)C)c1ccccc1 155167508 JDJMTAMZCJQAJD-UKRRQHHQSA-N 275.392 3.624 30 20 CHED CCCCOc1cccc(NC(=O)N[C@@H](CC)CC#N)c1 157258425 MRXJUEITNDDUGX-ZDUSSCGKSA-N 289.379 3.679 30 20 CHED Cc1cc(CN(C)C)cc(NCc2cc(C#N)cs2)c1 156515073 AMKNIJKMLSWBIW-UHFFFAOYSA-N 285.416 3.602 30 20 CHED CC#CCCSCc1csc([C@H](C)OCC)n1 154943968 UUUVFOPAGDEYNI-NSHDSACASA-N 269.435 3.887 30 20 CHED CCCN(CC1CC1)c1nc(C(C)(C)C)ccc1C#N 1655305636 FVOGVLXBTZOKDB-UHFFFAOYSA-N 271.408 3.877 30 20 CHED CC(C)c1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1 929161157 UFQAZJQNRKPMIK-ZDUSSCGKSA-N 271.364 3.577 30 20 CHED C=CCSCCN[C@@H]1CCCc2ccc(OC)cc21 221948323 RRCQMKBLQFGZHU-MRXNPFEDSA-N 277.433 3.581 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)nc1 149369082 GUFAAOVZXICBCB-LLVKDONJSA-N 271.751 3.804 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)c1cccs1 49530757 ZCQJEPRHZJJQMA-AWEZNQCLSA-N 274.364 4.000 30 20 CHED C[C@H](Nc1ccc(F)c(C#N)c1)c1cccc(C#N)c1 51636073 QZYOVWIFWYLNED-NSHDSACASA-N 265.291 3.742 30 20 CHED N#CC1(C(=O)Nc2cccc(C3CCC3)c2)CCCC1 291627347 ATEQCBHTZMYNMN-UHFFFAOYSA-N 268.360 3.977 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 179779183 ONCHPPRIOBWGLP-JTQLQIEISA-N 296.754 3.723 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc(F)c2Cl)c1 308178695 BSLAGORFBRLPBB-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(Cl)cc(CNCc2ccc(C#N)c(F)c2)c1 404702489 ZOZMLZDPBJGYDF-UHFFFAOYSA-N 288.753 3.949 30 20 CHED O/C(=N/CCc1ncc[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329181433 OEGPTRIKISNCDE-MELADBBJSA-N 275.396 3.515 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1sc2ccccc2c1Cl 701177647 UGNQKZNCMZWKHO-SECBINFHSA-N 292.791 3.929 30 20 CHED C=C(C)CN(C)Cc1cscc1Br 336668113 ZQXCKRPFVVOCSP-UHFFFAOYSA-N 260.200 3.519 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1csc(Cl)c1 804836451 LSOBLDUPGPCXIP-UHFFFAOYSA-N 289.787 3.677 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(OC)cc1OC 384918962 GAAINKBMZARCDP-GFCCVEGCSA-N 263.381 3.567 30 20 CHED Brc1ccc(C=NNCc2ccccc2)cc1 916344091 MARLYWCBTKUQSD-UHFFFAOYSA-N 289.176 3.573 30 20 CHED C[C@@H](CNc1cccc(F)c1C#N)c1ccccc1 35134960 CBSKVJCSYHMCQB-LBPRGKRZSA-N 254.308 3.913 30 20 CHED CN(CCOc1ccc(C#N)cc1)C1CCCCCC1 35175659 BLWKAZMBQVIGNA-UHFFFAOYSA-N 272.392 3.592 30 20 CHED Cc1cc([C@H](C)NCc2cccc(C#N)c2)c(C)o1 37748801 VSEABWNXDJNFDJ-LBPRGKRZSA-N 254.333 3.619 30 20 CHED Cc1nc(CNc2cccc(OCCCC#N)c2)cs1 37777474 AIQSYVIKDNMOSL-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CC(C)c1nc(COc2ccc(C#N)cc2)cs1 42255803 BMPFIJJPYTVTSQ-UHFFFAOYSA-N 258.346 3.717 30 20 CHED CCN(Cc1cccs1)c1ccc(C#N)cc1F 42488166 HOWIROPBWYFKGQ-UHFFFAOYSA-N 260.337 3.785 30 20 CHED C=CCSCC(=O)N[C@H](c1cccs1)C(C)(C)C 44520312 XZVYEWUZOVGRFR-CYBMUJFWSA-N 283.462 3.871 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(OCC(C)C)c1 45000794 BVDJGNMXRCYKQL-UHFFFAOYSA-N 273.376 3.536 30 20 CHED C#CCN(C(=O)Nc1ccc(F)cc1)C1CCCCC1 49444487 SPCLTJNIXBLIMM-UHFFFAOYSA-N 274.339 3.626 30 20 CHED N#CC1(C(=O)Nc2cccc(COCC3CC3)c2)CCCC1 68433136 WXQHCISXGOOADJ-UHFFFAOYSA-N 298.386 3.636 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc([N+](=O)[O-])c1 72692538 FYBNQVWLMALKRM-UHFFFAOYSA-N 289.379 3.747 30 20 CHED C#Cc1cccc(NCc2cc(=O)oc3cc(C)ccc23)c1 73985016 PGBSVYDCNBMCFA-UHFFFAOYSA-N 289.334 3.695 30 20 CHED CC(C)(C)c1nc(C(=O)Nc2ccccc2C#N)cs1 76708862 QXGUQFHIDXUXAU-UHFFFAOYSA-N 285.372 3.565 30 20 CHED CS[C@H]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 78476371 CHODUPQQXDEURH-ZJUUUORDSA-N 268.332 3.532 30 20 CHED C[C@@H]1CCC[C@@H](N(C)c2nc(C(F)(F)F)ccc2C#N)C1 78833626 ANPGJDGBWYWJSW-ZYHUDNBSSA-N 297.324 3.987 30 20 CHED C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1cccc(F)c1 79389021 SCVLJXPRYDYSEE-CYBMUJFWSA-N 297.329 3.934 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(C#N)cs1 84116081 AGHVUOHTUMKJFP-YPMHNXCESA-N 276.405 3.661 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N[C@H](C#N)C(C)(C)C 85439951 DLSIZZRPLWDHNF-TZMCWYRMSA-N 264.413 3.647 30 20 CHED C=CCN1CCC(N[C@H](c2ccccc2)C(C)C)CC1 91334246 RRXSMTPQGCBNKJ-SFHVURJKSA-N 272.436 3.624 30 20 CHED C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C 92090709 BZFHYGBFBAESKQ-AOOOYVTPSA-N 268.282 3.669 30 20 CHED CCC(CC)CN(CCC#N)C(=O)OC(C)(C)C 108652606 SBFGTHNEEAHFGL-UHFFFAOYSA-N 254.374 3.573 30 20 CHED C=CC1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 111257750 DFVJLFCAWRSUIX-UHFFFAOYSA-N 286.350 3.879 30 20 CHED CCS[C@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 112089118 KJCXDHMSQBIZDR-HNNXBMFYSA-N 292.423 3.805 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 112774864 GETIMJLEERPINM-LSDHHAIUSA-N 298.292 3.579 30 20 CHED N#Cc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1 114992249 CWKFRJQRZCDCII-VGOFMYFVSA-N 263.271 3.520 30 20 CHED Cc1cccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1C 116813952 LDRDZWFVSVRPST-SJKOYZFVSA-N 270.376 3.506 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1OCCC 116998068 YDHWKPBQJBNXIG-LBPRGKRZSA-N 262.353 3.562 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)CC1 117396173 HZAMKQHFSMGZAO-CYBMUJFWSA-N 271.364 3.602 30 20 CHED C=CCCCSCC(=O)NCC1(c2ccccc2)CC1 117944700 LDLUCPLJUHSKKC-UHFFFAOYSA-N 289.444 3.534 30 20 CHED C=CCNC(=O)Nc1cccc(COC2CCCCC2)c1 120462845 DDCQVRJVGFAKJL-UHFFFAOYSA-N 288.391 3.843 30 20 CHED C=C[C@@H](CC(=O)Oc1ccccc1OC)c1ccccc1 125275894 GYHMDLSPHMHIAH-AWEZNQCLSA-N 282.339 3.961 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 128477311 LVJZKJMJOKCBFQ-JTQLQIEISA-N 259.271 3.812 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](CC)c1cc(F)ccc1F 130152681 DTNNOZOYFLFOFV-XHDPSFHLSA-N 297.345 3.513 30 20 CHED C=CCC[C@@H](NC(=O)CC(F)(F)F)c1ccccc1 133930292 VJTYMFKFJODBRQ-GFCCVEGCSA-N 271.282 3.763 30 20 CHED N#Cc1ccc(NC[C@@H]2CCOc3ccccc32)c(F)c1 134475180 JPSJPVMKEIJSNS-ZDUSSCGKSA-N 282.318 3.676 30 20 CHED N#Cc1c(Cl)cccc1N[C@H]1CCCSC1 135597733 NXQRIGYEADDERB-VIFPVBQESA-N 252.770 3.519 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1cc(F)ccc1F 150903494 WWDACKPYHRIZCK-UHFFFAOYSA-N 296.361 3.582 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1cccn1C(C)C 153224958 NLWXRQOSNPYUDY-UHFFFAOYSA-N 298.342 3.559 30 20 CHED CC[C@@H](/N=C/c1cc(OC)ccc1O)c1c(C)noc1C 154802170 SOMSDWGDHFLVQD-IREQLNLFSA-N 288.347 3.576 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H](Cc2ccccc2)C1 155106327 APYSRVLQKMQVKH-KRWDZBQOSA-N 270.420 3.881 30 20 CHED C=CCCC(=O)Nc1ccc(Cl)cc1OCC 155146294 KTMHOUIRDXPNEM-UHFFFAOYSA-N 253.729 3.643 30 20 CHED CCCC1(CNC(=O)C2(C#N)CCCCC2)CCC1 157218665 WWNUDDFVFCREQB-UHFFFAOYSA-N 262.397 3.547 30 20 CHED C=CCC(CC=C)C(=O)Oc1cccc(F)c1F 160396392 HSDZXHXGFFJITR-UHFFFAOYSA-N 252.260 3.639 30 20 CHED Cc1ncc(CN(C)c2cc(Cl)ccc2C#N)s1 171808469 UUHIXLWWXOEJRK-UHFFFAOYSA-N 277.780 3.613 30 20 CHED CC(C)[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 172087930 IXWAVUYJOLNTDA-DGCLKSJQSA-N 299.399 3.673 30 20 CHED C#Cc1cccc(NCC(=O)Nc2sc(C)c(C)c2C)c1 172864880 CUNKEZMGHXWFJM-UHFFFAOYSA-N 298.411 3.705 30 20 CHED C#CCCCNC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 173318492 WPPNDTAREXWNJN-OAHLLOKOSA-N 288.391 3.628 30 20 CHED Cc1cc2cc(C(=O)OCCCC#N)oc2cc1C 174004686 YNVJOFLVDMUTAI-UHFFFAOYSA-N 257.289 3.510 30 20 CHED CCOc1ccc2c(c1)CN(CCCC(C)(C)C#N)CC2 174835662 SPUAKJNAIBGBFB-UHFFFAOYSA-N 286.419 3.773 30 20 CHED C=CCOCCCC(=O)N(c1ccccc1)C1CCCC1 175198835 FFYCQKPCAZVXEK-UHFFFAOYSA-N 287.403 3.945 30 20 CHED C=CCCCC(=O)Nc1cc(C)nn1-c1ccccc1F 175531401 RYPKJAKBEQWWIB-UHFFFAOYSA-N 287.338 3.615 30 20 CHED C=CCOc1cccc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)c1 175668624 ZDXAXRBJJZWEKF-HIFRSBDPSA-N 289.375 3.538 30 20 CHED C[C@@H](CCC(C)(C)C)NCc1cc(C#N)cs1 177703818 BOSHJVWGUYAHBA-NSHDSACASA-N 250.411 3.924 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1 178739670 FHHNCZXSOYGSCR-OAHLLOKOSA-N 295.386 3.724 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)CC(C)C)c1ccccc1 179511940 QMIUHYMGIRETPQ-LSDHHAIUSA-N 259.393 3.897 30 20 CHED Cc1cc2occ(CC(=O)O[C@H]3CC[C@H](C#N)C3)c2cc1C 179985813 OZGAVCRQCBBMOQ-ZFWWWQNUSA-N 297.354 3.828 30 20 CHED C=CCN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 180091416 DDJMHGQTEYZAIM-ZDUSSCGKSA-N 263.381 3.567 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 180469730 TYPSJDFPGSUDPE-OLZOCXBDSA-N 297.320 3.843 30 20 CHED C[C@H](NCCCSCC#N)C(C)(C)c1ccccc1 181801256 KAOTUVMUPXIKIL-AWEZNQCLSA-N 276.449 3.589 30 20 CHED CCCCCc1nnc(NCc2cccc(C#N)c2)s1 181939832 RHGIBKOOKDDKLM-UHFFFAOYSA-N 286.404 3.755 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NC[C@@H](C)C#N)cc1 182793386 BCBFUAYSUHWHHO-UXLLHSPISA-N 299.418 3.637 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C 183159681 QLDDUIVAYUTVDQ-INIZCTEOSA-N 292.398 3.610 30 20 CHED COCCOc1ccc(SCc2ccc(C#N)cc2)cc1 185065790 WYWWOWRIGHOZKA-UHFFFAOYSA-N 299.395 3.876 30 20 CHED CC#CCCCC(=O)OCc1cc(C)sc1C 185258553 CUTLDAYPSOKDGI-UHFFFAOYSA-N 250.363 3.602 30 20 CHED C[C@H](SC(=S)N1CCCC1)c1cccc(C#N)c1 189798282 KILGQPSLPDBPGH-NSHDSACASA-N 276.430 3.733 30 20 CHED C=C[C@@](C)(CC)C(=O)N(CC)Cc1ccccc1C 190180486 FONVMWNXBLWAOD-KRWDZBQOSA-N 259.393 3.946 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nnc(-c2ccsc2)s1 191018972 QGJGLIFAAFBEKN-ZDUSSCGKSA-N 293.417 3.807 30 20 CHED C[C@H](N[C@H]1CCCc2c(O)cccc21)c1cccc(C#N)c1 192354867 POJREAPUMLKRCS-UGSOOPFHSA-N 292.382 3.992 30 20 CHED C=CCCCCCN[C@@H](C)[C@H]1CCCN(C2CCC2)C1 193549363 QZZHWEWDMIJGNB-IRXDYDNUSA-N 278.484 3.975 30 20 CHED C[C@@H](OC(=O)c1ccccc1OCC#N)c1ccccc1 194113035 WGRDZEZTIHGLLC-CYBMUJFWSA-N 281.311 3.507 30 20 CHED C[C@H](Oc1ccc2c(c1)CCC2=O)c1cccc(C#N)c1 194706384 DGTOQNMWWZGVAK-LBPRGKRZSA-N 277.323 3.827 30 20 CHED CSc1cccc(NC(=O)/C=C\c2ccccc2C#N)c1 213186761 YRPJHVGTDFWIEQ-KTKRTIGZSA-N 294.379 3.932 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cc1F 226127142 AYOWJMUCTQUVFP-UONOGXRCSA-N 264.369 3.783 30 20 CHED C[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)CC1 227309073 RSPJSOJSYXFCBX-WFASDCNBSA-N 260.356 3.756 30 20 CHED C[C@@H](CNc1cc(F)cc(C#N)c1)c1ccccc1 227628852 UUTUJWAXMGYYOW-LBPRGKRZSA-N 254.308 3.913 30 20 CHED Cc1ccc(F)cc1OCc1cc(C#N)ccc1F 230444856 XSWLLLOMCYYSCG-UHFFFAOYSA-N 259.255 3.724 30 20 CHED Cc1cc(F)cc(-c2noc(-c3ccc(C#N)s3)n2)c1 230996347 WTOCIQFEIAQKPU-UHFFFAOYSA-N 285.303 3.784 30 20 CHED N#Cc1ccnc(Oc2ccc3c(c2)CCC3)c1Cl 236052664 SUYCSSIIWHDBPU-UHFFFAOYSA-N 270.719 3.888 30 20 CHED CC1CCC(CNCc2ccc(O[C@@H](C)C#N)cc2)CC1 236663930 JIIDRVKKHZBXDY-PCKAHOCUSA-N 286.419 3.893 30 20 CHED C#CCCOc1ccc(CNCc2ccccc2CC)cc1 237006582 RJYWMYWIBZMNSU-UHFFFAOYSA-N 293.410 3.941 30 20 CHED N#Cc1cccc(N[C@H]2CCCN(Cc3ccccc3)C2)c1 237849528 XWJQDPBIHQQTFX-IBGZPJMESA-N 291.398 3.635 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N(C)Cc2cccc(C#N)c2)CC1 245516023 QOLFSRBPVFKNJZ-IYARVYRRSA-N 298.430 3.979 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H](O)c2ccc3ccccc3c2)C1 248757412 CWDFJMBUSKUYLE-MDASCCDHSA-N 294.398 3.545 30 20 CHED CCN(C[C@@H]1CC[C@H](C)O1)[C@H](C)c1ccc(C#N)cc1 248889984 IBFRWFXMKJDATD-VBQJREDUSA-N 272.392 3.509 30 20 CHED Fc1ccc(F)c(CON=Cc2cccs2)c1 255837822 CGNYVAWNTFMVCJ-UHFFFAOYSA-N 253.273 3.577 30 20 CHED N#CC1(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CCC1 265536962 QSIHUFCKTWWBEX-UHFFFAOYSA-N 297.383 3.806 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CCC(F)(F)F)cc1 266258980 MCQBVNYYRKRWFB-UHFFFAOYSA-N 284.281 3.769 30 20 CHED C#CCCCCC(=O)Nc1cc(SC)ccc1C 271886936 HIYXCZLDKRRFOG-UHFFFAOYSA-N 261.390 3.849 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2cccc3[nH]ccc23)no1)OCC 273842438 ZLCFJCQASXYJMP-OAHLLOKOSA-N 297.358 3.742 30 20 CHED C=CCCCCNC(=O)N(C)[C@H](C)c1cccs1 274606884 SPEKRMAQNJDKLU-GFCCVEGCSA-N 266.410 3.807 30 20 CHED C=CCCCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 274809122 MHIBIEPRKSSIOR-UHFFFAOYSA-N 291.351 3.689 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cccc(OC)c2)CCC1 276575394 MLKROHWHNKMVJS-ZDUSSCGKSA-N 273.376 3.619 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2ccncc2C)CCCC1(C)C 277918419 HETUETGDOAWEDS-INIZCTEOSA-N 286.419 3.526 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)o1 280355678 UBTZJNUYDSDGEI-MQMHXKEQSA-N 286.762 3.840 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)Cc1ccccc1 280693078 BIGSLMIAMPYUIR-SQNIBIBYSA-N 273.420 3.579 30 20 CHED C=C(C)C[C@H](C)C(=O)NCCCCCCSC(C)=O 281619750 PFVGNKJSIRIEFY-ZDUSSCGKSA-N 285.453 3.545 30 20 CHED N#C[C@H]1CCC[C@H](NCCCc2c[nH]c3ccc(F)cc23)C1 282961593 ZRSRMCUEWMDPLN-BBRMVZONSA-N 299.393 3.912 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H]1[C@H]1CCCO1)c1ccccc1 284616156 IUMXQCWSXMXACM-KBAYOESNSA-N 299.414 3.516 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccco1 286045982 KUGOCDWFUZIGHB-LZWOXQAQSA-N 274.408 3.502 30 20 CHED N#Cc1ccnc(C(=O)N2CCCC3(CCCCC3)CC2)c1 288319832 ZNRSUTVLCFLVBF-UHFFFAOYSA-N 297.402 3.530 30 20 CHED CC#CCCCc1nc([C@@H](C)c2cccs2)no1 288962781 HGTFFYUFSVCVGK-NSHDSACASA-N 260.362 3.629 30 20 CHED COc1ccc2c(c1)C1(CC1)CN(CC(C)(C)CCC#N)C2 290366072 AGJVPQBVXSWHMF-UHFFFAOYSA-N 298.430 3.872 30 20 CHED C[C@H](OC(=O)CCCC#N)c1ccc(OC(F)F)cc1 291259002 OALHWJKCPXLTRS-JTQLQIEISA-N 283.274 3.586 30 20 CHED Cc1cc2occ(CC(=O)N(C)[C@@H](C)C#N)c2cc1C(C)C 294380892 IECCEELMVWCBFP-ZDUSSCGKSA-N 298.386 3.778 30 20 CHED COc1cccc(C=C2CCN([C@H](C)CCC#N)CC2)c1 298631320 OREHJNJAJDBMRT-OAHLLOKOSA-N 284.403 3.867 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCC[C@H](O)C(C)C)c2c1 301417441 MLTXYROFNSQKIW-INIZCTEOSA-N 297.402 3.542 30 20 CHED C[C@]1(CNc2ccc(Cl)cc2C#N)CCCC[C@@H]1O 301485259 HBDITAQMTSXWLX-LSDHHAIUSA-N 278.783 3.565 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2cccc(C#N)n2)c1 301846345 MTDOOWMXCMVPAX-AWEZNQCLSA-N 265.360 3.613 30 20 CHED C=CCOc1ccccc1CNc1noc(C(C)(C)C)n1 302120741 GAARYFSGVRGMST-UHFFFAOYSA-N 287.363 3.544 30 20 CHED CCOCc1ccc(CNc2c(C#N)cccc2C#N)cc1 302443061 NLLCKJQLSPJLGZ-UHFFFAOYSA-N 291.354 3.579 30 20 CHED N#CCC[C@H](Nc1ncncc1Cl)c1ccccc1 302618720 GLHIFIYJRWDEAE-ZDUSSCGKSA-N 272.739 3.587 30 20 CHED CCCN(CC)c1cc(Br)c(C#N)cc1F 309498444 LZAPCRXDZAATMP-UHFFFAOYSA-N 285.160 3.696 30 20 CHED Cc1nc(N2CCC[C@@H]2C(C)C)c(Cl)cc1C#N 310763787 NFCCTIMVVOZHFX-CYBMUJFWSA-N 263.772 3.540 30 20 CHED CC1(C)CC[C@H](N/C(O)=N/Cc2nc(C3CC3)cs2)C1 329035041 YIRJKFCLNQPSJA-NSHDSACASA-N 293.436 3.603 30 20 CHED CCc1ncsc1C(O)=Nc1cnc2c(c1)CCCC2 329325569 WGDRYFRDWDDKLT-UHFFFAOYSA-N 287.388 3.616 30 20 CHED C[C@H]1CCCC[C@H]1OCC(O)=Nc1cccc2c1OCO2 329327245 XCOKBTZFEILHDY-WCQYABFASA-N 291.347 3.599 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@@H]1CCC[C@@H](C)C1 330484007 WEEXDWZZEXGCMB-IIAWOOMASA-N 264.413 3.647 30 20 CHED C=C[C@@H](C)/N=C(/O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 330935683 OLZDXZHBVTZZLS-LLVKDONJSA-N 292.427 3.836 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 333556006 NKAPRSZEAVNYJA-CPUCHLNUSA-N 274.408 3.545 30 20 CHED Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H](C)C#N)c1 334314369 PDUCMRCTTUMQKO-GOEBONIOSA-N 270.376 3.598 30 20 CHED N#Cc1ccc(CN[C@H]2CSc3ccccc32)s1 335289143 BQSNLUNOIRXGEI-ZDUSSCGKSA-N 272.398 3.556 30 20 CHED CC1(C#N)CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 335972420 RQMVILAFOSIHQI-AWEZNQCLSA-N 276.424 3.745 30 20 CHED C=CCCN(CCOC)Cc1ccc(F)cc1Cl 338549940 YOYMSWAPHUKPGY-UHFFFAOYSA-N 271.763 3.504 30 20 CHED N#Cc1ccccc1CN1C[C@H]2CC[C@H]1c1ccccc12 338588503 XRZVGSHLGYCXEZ-APWZRJJASA-N 274.367 3.993 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(SC2CC2)cc1 341072746 RBJREQRJNDFTNS-UHFFFAOYSA-N 275.417 3.979 30 20 CHED N#CC1(N(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C2CC2)CCC1 341609046 CRMJYKLEPHDAAO-RDJZCZTQSA-N 294.398 3.617 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)c1c(F)cccc1Cl 342784245 JUMOEHWSIZXGHS-SECBINFHSA-N 275.714 3.919 30 20 CHED C=CCOCC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 342827191 UVHRXHOFINWFPS-QGZVFWFLSA-N 287.403 3.506 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 345276138 WYIDYGQNWFIYNJ-UWVGGRQHSA-N 296.292 3.952 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@@H]1C 354083076 MYLCNCXYNTWCLE-GXTWGEPZSA-N 285.391 3.755 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1nc(C(C)C)oc1C 354715742 KYJFJVDABYAMPW-LLVKDONJSA-N 264.369 3.581 30 20 CHED C[C@H]1C[C@H](CNc2ccc(C#N)c(C(F)(F)F)c2)CCO1 356793966 LUSCEKIOZUVMMZ-WDEREUQCSA-N 298.308 3.804 30 20 CHED CCS[C@@H](C)c1noc(C2(C#N)CCCCC2)n1 357328851 ZLNGHRRHWRKLKA-JTQLQIEISA-N 265.382 3.609 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CCCC1 360839296 GTKBBYPPKYFTFM-KRWDZBQOSA-N 254.377 3.858 30 20 CHED C=C[C@@H](CC(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 362165185 MXKAOSBPAJXJOL-XIRDDKMYSA-N 269.388 3.890 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 398153429 SYWCTRDFPJETPC-LLVKDONJSA-N 294.326 3.517 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@@H]1CC[C@@H](C)C1 411076292 ZEIODGPXJVLVKT-DGCLKSJQSA-N 284.359 3.526 30 20 CHED CC1(C)CC[C@@H]1Nc1cc(C(F)(F)F)cnc1C#N 413292398 LSNXDJJGLVDJDS-NSHDSACASA-N 269.270 3.573 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](C2CCCC2)C1 420874531 YSCLVULRLNOTHR-GJZGRUSLSA-N 264.413 3.563 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 421717643 ZXVYKPFSHWWACZ-UHFFFAOYSA-N 271.360 3.746 30 20 CHED CC(C)[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cn1 421867082 BSHPVCPBKZIFJH-OAHLLOKOSA-N 289.379 3.641 30 20 CHED C=C[C@@](C)(CC)c1nc([C@@H](C)c2nccs2)no1 424358417 ZSLDEGGLWLRLIG-RNCFNFMXSA-N 263.366 3.532 30 20 CHED C=C(C)CNC(=O)c1ccccc1OCc1ccccc1C 427945544 RNOHUQXVKUWSNZ-UHFFFAOYSA-N 295.382 3.880 30 20 CHED C[C@H]1CC[C@H](N(C)CC#Cc2cccc(Cl)c2)C1 429563639 BTISZNQIUGCOJW-BBRMVZONSA-N 261.796 3.812 30 20 CHED N#Cc1cccc(C#N)c1N1CCC[C@@H](c2ccccc2)C1 431507447 MWIMUKVBLXOOIP-GOSISDBHSA-N 287.366 3.814 30 20 CHED CC(C)(CCC#N)CNCCC1CC(OC(C)(C)C)C1 432243065 RMXABMGUVLXJQW-UHFFFAOYSA-N 280.456 3.890 30 20 CHED CC(C)C1CCC(N(C)c2ccc(C#N)cn2)CC1 432854968 TYJAMDYATKNGQY-UHFFFAOYSA-N 257.381 3.604 30 20 CHED N#CC1(CN2CC3(CCCC3)c3cccc(F)c32)CC1 433150537 LSUBLUYLMMWCKE-UHFFFAOYSA-N 270.351 3.761 30 20 CHED Cc1cc(OCc2ccc(F)c(F)c2)ccc1C#N 434646344 AROXXLVTMWTUPY-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H]1C(C)=CCC[C@@H]1C 435733157 UAEUFSMKANGDFW-HZMVEIRTSA-N 263.425 3.550 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(Cl)cc(C(F)(F)F)c1 437584769 YAPNKMWFOGCXRM-SECBINFHSA-N 290.716 3.950 30 20 CHED C=C[C@H](C)NC(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 442038929 AQQHWRHZQHKQHT-BJDJZHNGSA-N 291.420 3.743 30 20 CHED CCc1c(N[C@H]2CC[C@H](C#N)C2)cnn1CCC(C)C 442858343 HLXHZKGUNRBHHT-KBPBESRZSA-N 274.412 3.596 30 20 CHED CCC(C)(C)Nc1ccc(C(F)(F)F)c(C#N)n1 443434881 YIGXWGGGNLJBQH-UHFFFAOYSA-N 257.259 3.573 30 20 CHED N#Cc1nc(N2CCC[C@H]3CCC[C@H]32)ccc1C(F)(F)F 443513898 YCEFSWBWLJOILI-ZWNOBZJWSA-N 295.308 3.741 30 20 CHED Cc1cc(CNCc2ccccc2Cl)ccc1C#N 443995882 WWLGBDCMYUWUQL-UHFFFAOYSA-N 270.763 3.810 30 20 CHED CCn1c(SCc2ccc(C#N)c(C)c2)nnc1C1CC1 447312155 KQNLXIRSUATHNP-UHFFFAOYSA-N 298.415 3.648 30 20 CHED C=CC1CCN(C(=O)c2cccc3c2CCCC3)CC1 448953577 HUQZYRUPHIEBBH-UHFFFAOYSA-N 269.388 3.604 30 20 CHED COc1cc(CN(C)[C@@H](C)CC#N)cc2ccccc12 449021484 CQMKZWFXUDZSER-ZDUSSCGKSA-N 268.360 3.582 30 20 CHED C=C(C)CCNCc1cc(Br)c(OC)s1 449476003 MFIALKBRSYBVBF-UHFFFAOYSA-N 290.226 3.575 30 20 CHED CC(C)(CCC#N)CN1CCCc2ccccc2CC1 449556773 OLCGKAIYLUEVSP-UHFFFAOYSA-N 270.420 3.807 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl 449923448 OFARNQWJGMSICT-SKDRFNHKSA-N 281.758 3.663 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452643329 JAWQDFOWLNCVEJ-NHYWBVRUSA-N 276.767 3.781 30 20 CHED C[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)C(F)(F)F 452650353 YNMKIMQJIOJRRA-ZETCQYMHSA-N 290.672 3.543 30 20 CHED C=CCC[C@@H](C(=O)NC[C@@](C)(CC)OC)c1ccccc1 452739682 MIZABBIJNQGNIZ-SJLPKXTDSA-N 289.419 3.668 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(Cl)c1 453343641 JEDPCZFOSIUVOT-DFBGVHRSSA-N 265.784 3.724 30 20 CHED C=C(CC)CNC(=O)N(CCC)CCc1cccs1 455525636 RJRHBGDUMMAJMR-UHFFFAOYSA-N 280.437 3.678 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](C)C1CCCCC1 455527128 UQYGLIUNWHUJLY-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCC#Cc1ccccc1 466247711 CPVFJAHETVSSGC-MSOLQXFVSA-N 298.430 3.648 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@](C)(CC)C1 466317266 IUKXJUAWIKCGGR-UKRRQHHQSA-N 252.402 3.563 30 20 CHED C=CCc1cc(CNC[C@@H]2CCC[C@H]2C)cc(OC)c1O 466422796 AGKRZUGLZZMKOR-CJNGLKHVSA-N 289.419 3.655 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 466432744 YZKLODVHABBTBT-AEFFLSMTSA-N 284.403 3.983 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 466752739 HEGNQYKWRMUAAH-SFHVURJKSA-N 298.430 3.918 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 467050921 LNLOYDBDFHSNFY-LBPRGKRZSA-N 299.336 3.919 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCC/C=C\CC 467299659 MAVXAGPVIDHFJS-CKXPSTMWSA-N 267.438 3.665 30 20 CHED C[C@H](CCNC(=O)c1ccc(C#N)s1)CC(C)(C)C 468078310 GWFKZYLHWNZBQX-LLVKDONJSA-N 278.421 3.812 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1c1ccccc1 469752335 MJQDVROHSVWIQG-WBVHZDCISA-N 286.419 3.516 30 20 CHED C=CCCCCNC(=O)NC[C@@H](C)c1ccc(F)cc1 472861697 CWDUIYJADSBASE-CYBMUJFWSA-N 278.371 3.585 30 20 CHED C=CCCCCNC(=O)Nc1cccc(Cl)c1OC 473669482 CMWSXLYTAQYUDD-UHFFFAOYSA-N 282.771 3.826 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)C[C@H](CC#N)c1ccccc1 476185847 BVFUEUGBQABEBV-BHYGNILZSA-N 284.403 3.721 30 20 CHED C=CCC[C@@H](O)CN1CCC(c2cccc(Cl)c2)CC1 483120370 OEQZDGDHDICYQS-QGZVFWFLSA-N 293.838 3.847 30 20 CHED CC(C)(C)C1=CCN(Cc2ccc(C#N)c(F)c2)CC1 484069047 DUMKVWGGDGVWBT-UHFFFAOYSA-N 272.367 3.876 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 487738168 JKUDQKMPFNDTPF-HYVNUMGLSA-N 299.418 3.514 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 488570595 DOMLXLIWOUONOT-IAGOWNOFSA-N 286.419 3.930 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CS[C@H](C(C)C)C1 488591397 QGNXDGHXTBVHDK-WFASDCNBSA-N 276.405 3.509 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C\c2cccnc2)c1 491450315 VRGCSLNGGQMWIC-HJWRWDBZSA-N 294.354 3.688 30 20 CHED C=C(CC)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 494462099 ADWUHBBYNKKNGS-HUUCEWRRSA-N 283.774 3.865 30 20 CHED C=CCCCCN1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 496834137 BBCZWOBAEPGOJB-HUUCEWRRSA-N 296.455 3.578 30 20 CHED C=CCCC(=O)Nc1ccccc1C(=O)c1ccccc1 499136178 VJCSIQCBTIIGAX-UHFFFAOYSA-N 279.339 3.822 30 20 CHED C[C@H](CN(C)C[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 501166408 XUJIGFZRLJNKBK-NWDGAFQWSA-N 284.325 3.900 30 20 CHED CCN(C(=O)C1CC(C)(C)C1)[C@@H](C)c1ccc(C#N)cc1 506756587 ASSHBJLNRVLAKV-ZDUSSCGKSA-N 284.403 3.904 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1cccc(C#N)c1C)CCC2 509459568 NDBNWANTKXOLQZ-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C=CCCCCCN(C)Cc1nc(-c2cccs2)no1 511141423 WMJULEDWMZMLIS-UHFFFAOYSA-N 291.420 3.976 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H]1c1ccccn1 518329552 CLDQWTRNPPDMSN-HNNXBMFYSA-N 287.407 3.530 30 20 CHED CCN(Cc1ccc(C)cc1)Cc1cccc(C#N)c1 519918444 RPTKLSGJXVVAFO-UHFFFAOYSA-N 264.372 3.889 30 20 CHED CCCc1sc(C(=O)N[C@@H](C#N)CCC)cc1CC 522960898 DJFZIEDYRGGGKN-GFCCVEGCSA-N 278.421 3.685 30 20 CHED C=CCCCOc1c(C(=O)OC)ccc2ccccc12 525363713 OXHVIZOFNNNBHK-UHFFFAOYSA-N 270.328 3.971 30 20 CHED C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@@H]1C1CC1 528912496 IUIITOCXWWMRAM-OKFJQDPLSA-N 296.395 3.765 30 20 CHED C=C(C)CN(Cc1ccccc1)c1cccc(C#N)n1 530429697 CLROLRVVWDFRQP-UHFFFAOYSA-N 263.344 3.536 30 20 CHED N#Cc1cccnc1N1CCC(Cc2ccccc2F)CC1 531523971 GQILTUXJULURMA-UHFFFAOYSA-N 295.361 3.551 30 20 CHED COc1cc(CN(CCC#N)C(C)C)ccc1SC 534342241 XABXAVBNBSSTLI-UHFFFAOYSA-N 278.421 3.541 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H](CC(C)C)C1 537201497 GXWBJZAVEPQQNK-INIZCTEOSA-N 281.440 3.644 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2c(s1)CCC2 537224342 JCAISWCWSNRXBD-NSHDSACASA-N 263.406 3.711 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H]1CC[C@H](C)C1 537339372 UCHICBWFNNKYQT-RDJZCZTQSA-N 271.404 3.680 30 20 CHED C=C(CC)CN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 538002932 RYDFOECKWXFXTI-GOSISDBHSA-N 294.398 3.922 30 20 CHED C=CCN(Cc1ccc(OC(F)(F)F)cc1)C1CC1 540057340 NAHFRLJAWWEHPX-UHFFFAOYSA-N 271.282 3.736 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)CCSCC 540567353 GPMMVGPIEACJEK-KGLIPLIRSA-N 286.485 3.904 30 20 CHED C=CCN1CC[C@H](Nc2ccc(-c3ccccc3)cc2)C1=O 540810596 VIBFKOHNLKFGTA-SFHVURJKSA-N 292.382 3.552 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@H](C)Sc1ccccc1 543107356 HTCOVKVPEBFFAF-KBPBESRZSA-N 292.448 3.821 30 20 CHED C=CC[C@H](C)[C@H](C)NCCc1ccc(F)c(F)c1F 543412958 VRJJYTPJPIGMEJ-QWRGUYRKSA-N 271.326 3.837 30 20 CHED CC[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 545460586 RFJNZECRLNJGRE-GXFFZTMASA-N 270.298 3.940 30 20 CHED COc1cc(C#N)ccc1NC(=O)Nc1ccccc1C 546003584 UCIZJJZTOMMESH-UHFFFAOYSA-N 281.315 3.519 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(OCCC)cc1 547373835 CQSFNRINWKLPAU-OAHLLOKOSA-N 290.407 3.629 30 20 CHED C=CCCC[C@H](C)NC(=O)CCN(C)C1CCCCC1 548064290 MZGHPZVOKWOERF-HNNXBMFYSA-N 280.456 3.502 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC[C@](F)(c3cccc(Cl)c3)C2)C1 549695071 XKMLQKVSJWYZIO-DAXOMENPSA-N 292.785 3.903 30 20 CHED CC(C)N(CC#CCN(C(C)C)C1CCC1)C1CCC1 551395912 WBGBMEAWQRYIMS-UHFFFAOYSA-N 276.468 3.516 30 20 CHED C=CCOc1ccc(CNC(=O)C2=CCCCCC2)cc1 553052298 OELJRFJYAUXFDH-UHFFFAOYSA-N 285.387 3.758 30 20 CHED C=CCOCCN[C@H](c1ccccc1Cl)C(C)C 559147381 WFPHWQVCVDGNDM-HNNXBMFYSA-N 267.800 3.829 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)c1nccc(C#N)c1Cl 561112580 OVZRKHHUZGEEGP-SNVBAGLBSA-N 289.741 3.943 30 20 CHED Cc1ccc(C#N)c(Sc2c(F)cc(F)cc2F)n1 561127014 MNNDGDVBEDDIIN-UHFFFAOYSA-N 280.274 3.830 30 20 CHED Cc1oc2ccc(NC(=O)[C@@]3(C#N)C[C@H]3C)cc2c1C 565403841 XCWADBMPYSYGLC-JDNHERCYSA-N 268.316 3.538 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(F)cc1Cl 568422534 ORJDZITZPYITHT-UHFFFAOYSA-N 283.774 3.740 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC1(C2CC2)CC1 569056525 BYMCGZRZQYDSGR-KRWDZBQOSA-N 266.388 3.858 30 20 CHED C=CCCCCN[C@H](COC)c1cccc(Cl)c1 571724508 MAZSKSGAXQACAU-OAHLLOKOSA-N 267.800 3.973 30 20 CHED C=CCCC1(c2nc(COc3ccccc3C)no2)CC1 577560153 IRFJMPWZNKZHRB-UHFFFAOYSA-N 284.359 3.955 30 20 CHED CCC(C)(C)C1CCC(CC(=O)NC2(C#N)CC2)CC1 578619082 UDIRZOXZKPOMBP-UHFFFAOYSA-N 276.424 3.791 30 20 CHED Clc1cccc(C#CCN2CC[C@@H](c3cccnc3)C2)c1 578646788 LWCNWYAUMOSZFI-QGZVFWFLSA-N 296.801 3.576 30 20 CHED C[C@@H](CC1CCCC1)C(=O)NC1(c2cccc(C#N)c2)CC1 579387042 BEYKKQXTMZNGIN-AWEZNQCLSA-N 296.414 3.880 30 20 CHED C=CCC(C)(C)c1noc(CC2CCSCC2)n1 581839345 BFTWIMPFTQVSNL-UHFFFAOYSA-N 266.410 3.609 30 20 CHED Cc1cc(Oc2ncnc3onc(C)c23)c(C)c(C)c1C#N 588081887 RBCMYTLNZZOMTN-UHFFFAOYSA-N 294.314 3.515 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cnn(C)c2C)cc1C 588397247 JRHRERWKFDBTAR-SREVYHEPSA-N 268.360 3.550 30 20 CHED CN(C(=O)CCCCCC#N)C1C2CC3CC(C2)CC1C3 588864855 RHOKAUSTKYXKEC-UHFFFAOYSA-N 288.435 3.744 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CC(C)(C)CC)cc1 589080620 FRWDQQNYDSXDMX-OAHLLOKOSA-N 272.392 3.756 30 20 CHED CC[C@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1C[C@@H]1C 591241369 RFRLPLMJRVHCJC-XEGUGMAKSA-N 262.784 3.736 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccccc2)C1 592136382 QDRVPXALTBCYOY-BEFAXECRSA-N 292.382 3.773 30 20 CHED Cc1noc(CCCS[C@@H](C)c2cccc(C#N)c2)n1 592454587 HFVYRRLLKFUVQW-NSHDSACASA-N 287.388 3.677 30 20 CHED N#Cc1ccc(NC(=O)NC2CC3(CCC3)C2)c(Cl)c1 593171630 OBFOOWLLKPVTRW-UHFFFAOYSA-N 289.766 3.666 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 593388787 LTLPETZGHNZOLR-IUCAKERBSA-N 285.174 3.720 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCCC[C@H]1C 593958343 JWJPEWYULBXGCC-IIDMSEBBSA-N 298.430 3.774 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)[C@H](C)c1ccccc1 595056762 VYMCWFYGRHXBCO-JKSUJKDBSA-N 278.399 3.883 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc3occc3c2)C1 595072101 FHEBSKFLPOEGIQ-WFASDCNBSA-N 254.333 3.605 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](CC#N)C1 595491773 XUQZRGVEQITLHI-ARFHVFGLSA-N 291.439 3.681 30 20 CHED CC(C)c1ccc2c(c1)CN([C@@H]1CC[C@@H](C#N)C1)CC2 595656750 DVNGJBOKZUSWKS-RDTXWAMCSA-N 268.404 3.860 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCC[C@H](CC#N)C1 596896620 ZOEIUVAKLCGJHU-OAHLLOKOSA-N 297.402 3.963 30 20 CHED N#CC[C@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 597178024 TYHTWGCQDXQDFS-GFCCVEGCSA-N 275.421 3.536 30 20 CHED Cc1ccc2cc(CN3CCC[C@@H](CC#N)C3)ccc2n1 597178043 UTOICAXVEBKFKF-HNNXBMFYSA-N 279.387 3.669 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)o2)C1 597902954 CKCXAYZXPONHOU-CQSZACIVSA-N 294.354 3.712 30 20 CHED CC[C@H](C#N)C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 598095769 HUFRFQLFOVXAAS-GFCCVEGCSA-N 264.413 3.599 30 20 CHED CC(C)(C#N)C[C@@H](O)CNc1cccc2ccsc12 598726162 OKLZOLYZUITADK-GFCCVEGCSA-N 274.389 3.614 30 20 CHED CC(C)N(CCC#N)Cc1csc(C(F)(F)F)c1 600111057 JXYXSDVCURCHOT-UHFFFAOYSA-N 276.327 3.891 30 20 CHED N#C[C@H](SCc1ccc(Br)cc1)C1CC1 601072728 QVQXCHAOQLGTKQ-LBPRGKRZSA-N 282.206 3.984 30 20 CHED CCC(C#N)(CC)C(=O)N1CCCc2c(F)cc(F)cc21 602242437 CUPGDEVOSWKDPZ-UHFFFAOYSA-N 292.329 3.574 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1ccc(Br)cc1 602432683 JHTMDMUHYHRDIQ-LBPRGKRZSA-N 295.224 3.821 30 20 CHED COc1ccc(CC(C)(C)NC[C@H](C)CCC#N)cc1 602629366 NQHGWSYWPIXPQB-CQSZACIVSA-N 274.408 3.546 30 20 CHED CC(C)Oc1cccc([C@H](C)NCC2(CC#N)CC2)c1 602803347 XCFOBQHODMGHAA-AWEZNQCLSA-N 272.392 3.818 30 20 CHED COc1ccc([C@@H]2CCCN2CC2(CC#N)CC2)cc1F 602889036 QBCFWQLVGIBWDT-HNNXBMFYSA-N 288.366 3.665 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@@H](C)CC(C)(C)C 604455684 PBUGSZSMCXTREW-IUODEOHRSA-N 252.402 3.503 30 20 CHED C=CCOc1ccc(C(=O)NC(CC)(CC)CC)cc1 607571352 HCCQXWFUCUNVQS-UHFFFAOYSA-N 275.392 3.950 30 20 CHED C=C(C)CN(CC)Cc1cc([N+](=O)[O-])ccc1OC(C)C 609203500 GGATTXNWRKLNEF-UHFFFAOYSA-N 292.379 3.780 30 20 CHED CC(C)c1ccc(CN2CCO[C@H](C#N)C2)c(C(C)C)c1 609280644 IOKDWHQSZAALIH-QGZVFWFLSA-N 286.419 3.658 30 20 CHED Cc1ccc(Sc2ncc([N+](=O)[O-])cc2C#N)c(C)c1 610292094 MFLQNTUMEXHNRJ-UHFFFAOYSA-N 285.328 3.630 30 20 CHED Cc1cccc2c(N3CCC4(CCC4)C3)c(C#N)cnc12 610716697 MOGYFGCIDWLTEP-UHFFFAOYSA-N 277.371 3.795 30 20 CHED C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)c1cccc(Cl)c1 612236832 OXEOCIXTYJZUQG-MLGOLLRUSA-N 290.794 3.596 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(F)c(Cl)c2)C1 612405930 FEUGHOMLGGZMNP-CQSZACIVSA-N 266.747 3.605 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccn(C)c1-c1ccccc1 614134673 WQOLYSXQJZEQFN-MRXNPFEDSA-N 294.398 3.873 30 20 CHED C=CCC1(NC(=O)c2ccnn2C2CCCC2)CCCC1 619108079 ORZIZUOUKMOTAS-UHFFFAOYSA-N 287.407 3.617 30 20 CHED C=CCC1(NC(=O)c2cc3cccnc3s2)CCCC1 619110019 CBHFTQBGKLGWJI-UHFFFAOYSA-N 286.400 3.915 30 20 CHED CCC[C@@](C)(CC)C(=O)N[C@H]1CCc2cc(C#N)ccc21 619450135 LBIHHUVPLCZGNY-FUHWJXTLSA-N 284.403 3.878 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 622823678 CLZVTKPCKCFWKS-QMMMGPOBSA-N 293.235 3.645 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C)c1cnc(C)nc1C 637966249 OZWXUNGJZXFENL-CQSZACIVSA-N 299.393 3.982 30 20 CHED C=CCCCNC(=O)[C@H](C)c1ccc(Cl)cc1 649976580 FZIFPDAVYBEGEE-LLVKDONJSA-N 251.757 3.526 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)c1ccc(Cl)cc1 649993316 MPIWGULXLTVRFA-RISCZKNCSA-N 265.784 3.914 30 20 CHED C=CCC1(NCc2noc(-c3ccsc3)n2)CCCC1 661849580 XIHQXYYUAQESPQ-UHFFFAOYSA-N 289.404 3.777 30 20 CHED C=CCC1(NC(=O)Nc2cc(C(C)C)on2)CCCC1 666203149 AFCBUJYMUYYUFR-UHFFFAOYSA-N 277.368 3.808 30 20 CHED C=C(CN[C@@H](C)CC(=O)Nc1ccccc1)c1ccccc1 674047141 FQBNQFSVOCCHSK-INIZCTEOSA-N 294.398 3.707 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCc2sccc2C1 678860583 OWGDEHYFXWMRSX-ZDUSSCGKSA-N 292.448 3.951 30 20 CHED CC[C@H](C)CCCCC(=O)NCC#Cc1ccccc1 680022760 QOAMZLCYRKPALP-INIZCTEOSA-N 271.404 3.761 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCc2ccc(C)cc21 681160950 TZRQQGGZKVCYIY-MRXNPFEDSA-N 272.392 3.638 30 20 CHED C=CC[C@H](CC)NC(=O)N(C1CCCCC1)C1CC1 684928676 RKRVXRFYRCOYCP-ZDUSSCGKSA-N 264.413 3.848 30 20 CHED CC[C@H](CC#N)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 701309243 QJQKPHRDWFORDZ-ITDFMYJTSA-N 297.185 3.815 30 20 CHED COc1ccccc1C(C)=NNc1ncnc2sccc12 725818437 LOGLNKHKNGNRFZ-UHFFFAOYSA-N 298.371 3.536 30 20 CHED C=CCCC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 726502489 FCFVJQHMJSBIRH-KGLIPLIRSA-N 251.414 3.921 30 20 CHED C=CCCOC(=O)C(c1ccccc1)c1ccccc1 729072316 GZFAXRWSHOZHIW-UHFFFAOYSA-N 266.340 3.938 30 20 CHED C=CCN(C(=O)N[C@@H](CCC)c1ccccn1)C(C)C 729612169 AWLGDPKIEZDCJZ-HNNXBMFYSA-N 275.396 3.529 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 732900872 XLUBEALOFOJXBG-HOTGVXAUSA-N 278.355 3.527 30 20 CHED Fc1cc(F)c(NN=C[C@H]2CC=CCC2)cc1F 734302885 TZFQWZLNOQOCGW-VIFPVBQESA-N 254.255 3.858 30 20 CHED C=CC[C@@H](NCc1ccc(Cl)o1)c1ccncc1 734510189 SXPZCVKOEIKDNW-CYBMUJFWSA-N 262.740 3.735 30 20 CHED CCc1ccc(CON=C(C)Cn2nc(C)cc2C)cc1 735302694 BQFFFZJTVGVEBP-UHFFFAOYSA-N 285.391 3.655 30 20 CHED C=CCCCOc1cc(C=O)c(Br)cc1OC 735415604 XJVHKPQAAQFCIX-UHFFFAOYSA-N 299.164 3.615 30 20 CHED Fc1cccc(F)c1NN=Cc1ccnc2ccccc12 735615221 LVEFFAOKNNBDQR-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)/C=C/c1ccccc1C#N 736029530 SGKVEBCXJAHPHQ-BXSXHLDNSA-N 283.371 3.939 30 20 CHED COc1ccc(CCNN=Cc2cc(C)c(C)cc2C)cc1 737439777 HTLKRSVPVPOTET-UHFFFAOYSA-N 296.414 3.787 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)Cc2ccc(C)s2)c1 737440597 MKINHZURFOCHTN-MTUBTWAWSA-N 289.400 3.821 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)Oc1ccc(C#N)cc1 739462981 YXROXRUHBLXEOR-SFHVURJKSA-N 293.366 3.979 30 20 CHED CCCOc1cccc(CNCc2cc(C#N)ccc2F)c1 742381991 WGQXKYCMLZTPEF-UHFFFAOYSA-N 298.361 3.776 30 20 CHED Cc1ccc(NC(=S)NN=Cc2occc2C)c(C)c1 743423317 OMNNZNATCIKQNA-UHFFFAOYSA-N 287.388 3.525 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(C#N)cc1 743450592 NNYKVHSFTYRJGI-AWEZNQCLSA-N 257.381 3.841 30 20 CHED C=C(Cl)CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 743854871 QGYOLRZMJHFMTO-HZMBPMFUSA-N 253.748 3.961 30 20 CHED CCC[C@H]1[C@H](C)CCCN1Cc1ccc(OCC#N)cc1 744414254 LAFACXLUQHEBRL-QAPCUYQASA-N 286.419 3.990 30 20 CHED C=CCN(C(=O)NC[C@@H](C)Cc1cccs1)C(C)C 745860568 XGKVCCZGEPYMAF-ZDUSSCGKSA-N 280.437 3.533 30 20 CHED CO[C@]1(C)CC(=NNc2nccc3sccc23)C1(C)C 746565691 QWJNABUYQIVNPZ-OAHLLOKOSA-N 289.404 3.899 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/C=C\c1ccc(F)cc1 747696691 SKGWGXSURNSSSL-XGXWUAJZSA-N 284.334 3.628 30 20 CHED C=CCCOC(=O)c1cccc(C(F)(F)F)c1F 750977416 HHCLFAKTNRXHDF-UHFFFAOYSA-N 262.202 3.577 30 20 CHED CN(Cn1cc(-c2ccccc2)cn1)c1ccc(C#N)cc1 754757744 CJESKBLFVLHKBL-UHFFFAOYSA-N 288.354 3.516 30 20 CHED CCCCCCCCNC(=O)c1sc(C)nc1C 754854911 PQVQLTPSAJMUBX-UHFFFAOYSA-N 268.426 3.850 30 20 CHED Cc1ccnc(NN=C[C@@H]2C[C@H]2c2ccccc2)c1 755771768 YUPKXHBLDXTOAK-GJZGRUSLSA-N 251.333 3.591 30 20 CHED Cc1c(C(=O)/C=C\c2ccccc2F)cccc1[N+](=O)[O-] 756777357 IEFUPIFUZWPDHH-KTKRTIGZSA-N 285.274 3.938 30 20 CHED C[C@H](C=NNc1cnc2ccccc2n1)c1ccc(F)cc1 756889738 PFRGRIIYLWXTAU-GFCCVEGCSA-N 294.333 3.970 30 20 CHED C/C(=C/C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1 757543453 JBCXMJUXGHAPAZ-KAMYIIQDSA-N 288.350 3.551 30 20 CHED C#CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 757599298 UJJHRMGQOXMYHB-KRWDZBQOSA-N 297.785 3.763 30 20 CHED CCC(=NOCC(F)F)c1cc(Cl)ccc1OC 758909179 BUXNECXMPXHVRE-UHFFFAOYSA-N 277.698 3.744 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccc(F)cc1F 759074973 JCGWMIUWJYDARM-ONEGZZNKSA-N 285.702 3.971 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(Cl)nc2)cnc1Cl 759083654 OPNNNLIMDMRIPL-RQOWECAXSA-N 293.153 3.988 30 20 CHED C#CCCCC(=O)OC/C=C/c1ccc(Cl)cc1 759182520 MFKHEVWKGBRUGR-AATRIKPKSA-N 262.736 3.700 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccccc2F)c1 759209141 AAZJXIYAUMUDRO-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C#CCOc1ccc(C(=O)N2CC=C(C(C)(C)C)CC2)cc1 759857308 YTVUXOLRJSEHGR-UHFFFAOYSA-N 297.398 3.517 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc3c(c2)ncn3C)c1 761249877 LOUHOZKCDKSFJJ-UHFFFAOYSA-N 278.359 3.636 30 20 CHED CCc1ccccc1NN=C(C)c1cnc(C)s1 761256152 YGNYFHGCKHQECD-UHFFFAOYSA-N 259.378 3.850 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 761359754 HELMGRIEVAXDNW-UHFFFAOYSA-N 287.142 3.686 30 20 CHED O=C(/C=C/c1ccc(F)c(Cl)c1Cl)c1cnccn1 761475015 BBSXLKDELCVPAR-DUXPYHPUSA-N 297.116 3.819 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(O)c(F)c1 761889214 CGQVOJALVXOMMD-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C#CCCc1noc([C@H](C)CSc2ccccc2)n1 762011480 LJVGLSSTPQBQAX-GFCCVEGCSA-N 272.373 3.531 30 20 CHED CC(C)[C@@H]1CCCCC1=NNc1nccnc1Cl 764691587 CXJXGBUHDSKKSM-JTQLQIEISA-N 266.776 3.744 30 20 CHED C#CCCCN[C@@H](C)c1cc(Cl)ccc1OCC 766223425 OYYAMTBQJPWCOD-LBPRGKRZSA-N 265.784 3.803 30 20 CHED CCCCOc1ccccc1C=NNC1CCCC1 767379358 WLNVLHWAHLUFMA-UHFFFAOYSA-N 260.381 3.732 30 20 CHED CC#CCCCC(=O)O[C@H](C)C(=O)c1ccc(Cl)cc1 767671266 KKHUGNHZPSNLNX-GFCCVEGCSA-N 292.762 3.648 30 20 CHED N#Cc1cc(Cl)nc(NN=C[C@@H]2C[C@@H]2c2ccccc2)c1 768376143 RCCXMYKODYAPSL-UONOGXRCSA-N 296.761 3.808 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCc1ccc(O)cc1 768627237 KDMBKZDQYPGPPP-UHFFFAOYSA-N 289.375 3.588 30 20 CHED C[C@H]1CCCC(=NNc2ccc(F)c([N+](=O)[O-])c2)C1 769823118 SXKYZWKFSPDPNF-VIFPVBQESA-N 265.288 3.712 30 20 CHED Cc1ccc(-c2ccc(C=NNC[C@H](C)C#N)s2)cc1 771104600 UHASMFPKBZQXRW-CYBMUJFWSA-N 283.400 3.807 30 20 CHED CC[C@H](C)[C@@H](C)NCc1cccc(O[C@@H](C#N)CC)c1 772983751 LIUWPFDQZJPWIC-SQWLQELKSA-N 274.408 3.892 30 20 CHED CS[C@@H](C)CCC(=O)[C@H](C#N)c1nc2ccccc2o1 773760706 KGHHZGOTSYRAKS-QWRGUYRKSA-N 288.372 3.536 30 20 CHED COc1cccc(C=NOC2CCCC2)c1OC(C)C 774601296 BNCSQERTJODZHX-UHFFFAOYSA-N 277.364 3.776 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1cc(CC)ccn1 775475799 VHCOPXARPCQNGL-UHFFFAOYSA-N 297.354 3.600 30 20 CHED C=CCN(C(=O)Nc1cc(C)n([C@@H](C)CC)n1)C(C)C 776026466 NDIRMSKKXYYBNL-LBPRGKRZSA-N 278.400 3.591 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F 776258462 RZWHJSNXSJSJKW-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C[C@@H](OC(=O)[C@@H](F)Cc1ccccc1)c1ccc(C#N)cc1 778024253 NJOWMKWYUKTMRB-DYVFJYSZSA-N 297.329 3.743 30 20 CHED C=CCN(CCc1ccco1)Cc1cnc(Cl)c(C)c1 779170413 USZPOLSGCSNNJY-UHFFFAOYSA-N 290.794 3.867 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H]1CCC[C@H](C)[C@@H]1C 779272969 FFGHLSBYWMIICK-MELADBBJSA-N 289.375 3.628 30 20 CHED C#CCCCCCC(=O)NCc1c(C)cccc1C 779936560 OEAQJYPBQGCXNG-UHFFFAOYSA-N 257.377 3.503 30 20 CHED COc1ccccc1CCCON=Cc1cccs1 779950804 PRLNFSHYRZCUED-UHFFFAOYSA-N 275.373 3.740 30 20 CHED CC(=NN[C@H]1CCCOC1)C1(c2ccccc2)CCCC1 780262185 XJMFNZXIGOWKJB-KRWDZBQOSA-N 286.419 3.643 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C1(C)CCCCC1 781268739 MAHSHNMLQIWGKA-UHFFFAOYSA-N 271.360 3.880 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 782376441 KUHXXYKMNLKSFK-SNVBAGLBSA-N 288.265 3.592 30 20 CHED C#CCCN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 782565563 ZPOYOCVFGGHYNS-DZGCQCFKSA-N 281.321 3.954 30 20 CHED C[C@@]1(c2ccccc2)CC[C@H](NCc2ccc(C#N)cn2)C1 783294287 NOSUMOKEAAOWPN-PKOBYXMFSA-N 291.398 3.553 30 20 CHED CC(=O)c1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1 783367663 LPBAGUGDZLESGA-ZDUSSCGKSA-N 293.322 3.679 30 20 CHED CCc1ccccc1NN=C1CCC(=O)Nc2ccccc21 783825814 AFTLSXXEDZIZPT-UHFFFAOYSA-N 293.370 3.798 30 20 CHED C#CCOc1ccccc1NCc1ccc2cnccc2c1 785511772 NQNBPVAEPOFXTN-UHFFFAOYSA-N 288.350 3.859 30 20 CHED C=C[C@@H]1CCCCN1C[C@@H](O)c1ccc(Cl)c(F)c1 785997277 KKCFLALMXPAXIE-IUODEOHRSA-N 283.774 3.553 30 20 CHED FC(F)Oc1cccc(C=NNC2CCCCC2)c1 786039538 DOVMWYDTCMVZLB-UHFFFAOYSA-N 268.307 3.544 30 20 CHED COCCON=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1 788434937 YTBHGVNNOYDXCT-VHSXEESVSA-N 273.785 3.544 30 20 CHED CC(=NN[C@@H]1CCOC1)c1ccccc1SC(C)(C)C 788448554 WVAKHGSLKXMFOK-CYBMUJFWSA-N 292.448 3.680 30 20 CHED C#CCN(CCCCCF)[C@H]1CCc2ccccc21 792861301 ASTVMOUHMGHYET-KRWDZBQOSA-N 259.368 3.749 30 20 CHED COc1ccc(NN=C(C)c2ccc[nH]2)c(C(F)(F)F)c1 793098478 NYCMYTHVUKZZJD-UHFFFAOYSA-N 297.280 3.878 30 20 CHED CC(C)n1nccc1C=NNc1ccc(Cl)c(F)c1 794513073 GDEFXUXJXGPUFI-UHFFFAOYSA-N 280.734 3.703 30 20 CHED Fc1ccc(/C=C/C=NNc2nc3ccccc3[nH]2)cc1F 794860722 XGSCIFFHWRAMBN-OVZMFLLRSA-N 298.296 3.952 30 20 CHED CC(CCc1ccc(F)cc1F)=NNc1cccc(F)n1 795005686 CHUMJNULEMYMQU-UHFFFAOYSA-N 293.292 3.920 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 795558453 VLJIYUHEOOEZCD-GRDNDAEWSA-N 278.440 3.895 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Oc1ccc(C#N)cc1 796763715 MJLDQLJDGXXRNG-UHFFFAOYSA-N 269.300 3.802 30 20 CHED CC(C)C[C@H](C)OC(=O)C(C)(C)c1cc(F)cc(C#N)c1 796874796 RAXICHFCXMYQJM-LBPRGKRZSA-N 291.366 3.953 30 20 CHED Cc1cc(OC(C)C)ccc1N[C@H]1CC[C@H](C#N)C1 799721045 QVHYPCYUSYJWNA-KBPBESRZSA-N 258.365 3.886 30 20 CHED FC(F)(F)c1csc(NN=C2CCC[C@H]3C[C@@H]23)n1 800813638 DYEYLMLHKBRCRG-NKWVEPMBSA-N 275.299 3.750 30 20 CHED Cc1c(COC(C)(C)C)cccc1NCCO[C@H](C)C#N 802744361 WFYXCIIJIWXXIY-CYBMUJFWSA-N 290.407 3.651 30 20 CHED Cc1ccc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)s1 806560249 KFZWTPQDZMSKHM-MEODZPNASA-N 298.363 3.895 30 20 CHED C#CCCCCNC(=O)Nc1csc(-c2ccccc2)n1 806731863 HVNBUEPRCCTACH-UHFFFAOYSA-N 299.399 3.735 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(Cl)c2)[C@H]1SC 807943672 YTEKIEBQCCIAEE-CHWSQXEVSA-N 284.812 3.648 30 20 CHED CCCC(CCc1ccccc1)=NN[C@H]1CCSC1 807999207 HJGOCTNUSKBGBP-INIZCTEOSA-N 276.449 3.870 30 20 CHED Cc1cc(C(=O)Nc2scc(C)c2C#N)cc(Cl)n1 809006572 FSJRBOFESRAUGD-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C#Cc1ccc(CN[C@H](CC)c2c(C)noc2C)cc1 809629210 ICGADOXWECIAFL-MRXNPFEDSA-N 268.360 3.514 30 20 CHED C#Cc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1 809632281 NIPOCFRDBGRGQV-UHFFFAOYSA-N 265.400 3.726 30 20 CHED N#CCCCOC(=O)c1ccc(C2CCCC2)cc1 810651942 USBHWNDTEXZSTJ-UHFFFAOYSA-N 257.333 3.805 30 20 CHED C=CCCCCCCCNC(=O)N[C@H](C)c1ccccn1 811853800 BPWQBECTNMAKKL-OAHLLOKOSA-N 289.423 3.968 30 20 CHED CC(C)OCCON=Cc1csc(-c2ccsc2)n1 812238018 RBWKGWXJLYREDI-UHFFFAOYSA-N 296.417 3.647 30 20 CHED C=C(C)CNC(=S)N[C@H]1CCCCC12CCCC2 812259542 BZGBPFGPSUHSOA-ZDUSSCGKSA-N 266.454 3.530 30 20 CHED N#CCc1ccc(COC(=O)[C@H]2CC3CCC2CC3)cc1 814496028 KDMDZBPCEGETMW-PREGVCBESA-N 283.371 3.622 30 20 CHED CSCCCC=NNc1ccc(Cl)cc1[N+](=O)[O-] 814809612 IFZLWWYQSVLWMU-UHFFFAOYSA-N 287.772 3.789 30 20 CHED CC(C)OCCON=C1CCCCC12CCCC2 814936783 JWYUXVWWSPAFEJ-UHFFFAOYSA-N 253.386 3.918 30 20 CHED C=CCOCCN[C@@H](C)c1csc2ccccc12 815088345 FDRMMIRTCZGZFE-LBPRGKRZSA-N 261.390 3.755 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)C(=O)c1ccc(C)c(C)c1 815310635 FESGJZLSNXIPAD-LBPRGKRZSA-N 296.313 3.629 30 20 CHED C=CCCCCCCCN[C@H](C)c1cc(C)n(C)n1 815627804 KDBQZOUHVQZNJP-OAHLLOKOSA-N 263.429 3.906 30 20 CHED COc1ccc(C(C)=NOCCOC(C)C)c(Cl)c1 819812539 DESKDTSJFILMTK-UHFFFAOYSA-N 285.771 3.514 30 20 CHED COc1cc(C(=O)/C=C/c2cccc3ccccc23)on1 821021002 AEEBTBVPNIKGTN-MDZDMXLPSA-N 279.295 3.733 30 20 CHED C#CCCCN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 823618527 UCCPKIMKNQDMPV-CYBMUJFWSA-N 294.320 3.833 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(OC)c(OC)c2)c1 834901628 AQIYUVBIULDACV-AWEZNQCLSA-N 295.382 3.536 30 20 CHED C=CCON=C(C)[C@@H](C)c1nc2ccccc2s1 835016720 ZCIXPXZGIMCQDX-SNVBAGLBSA-N 260.362 3.978 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@@]1(C)CC=CCC1 835339106 WTKDMAFEPRABHR-CVEARBPZSA-N 266.381 3.505 30 20 CHED CC[C@H](CC(C)C)C(=O)OCC(C)(C)CCC#N 835386064 HNMWCWXNKOZCLL-CYBMUJFWSA-N 253.386 3.932 30 20 CHED C[C@@H](c1ccc(C(=O)OCC2(C#N)CC2)cc1)C(F)(F)F 835414722 JIIUBHLKVFVBHV-JTQLQIEISA-N 297.276 3.813 30 20 CHED C=CC(C)(C)C(=O)OCc1csc(-c2ccco2)n1 837865139 NKIPJOKNOQCFBU-UHFFFAOYSA-N 277.345 3.659 30 20 CHED C#CC[C@H](NC(=O)N1CC(C)(C)[C@@H]1C(C)C)c1ccccc1 838530102 WAXVNANJIIKXJQ-IRXDYDNUSA-N 298.430 3.827 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 839047769 ZYGNMWHKDQMBMY-MEYUZBJRSA-N 287.334 3.555 30 20 CHED CCOCCC1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCCC1 839050546 BRRAMQFZLFWQHL-CABCVRRESA-N 293.407 3.599 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3ccccc3)[nH]2)C1 839052287 PUWOTFFKODJMPH-HIFRSBDPSA-N 294.354 3.921 30 20 CHED C=CCCCCCCNCc1cnc(C2CC2)nc1 839096005 QTVVFFNEHIYNAA-UHFFFAOYSA-N 259.397 3.580 30 20 CHED C=CCC1(C(=O)Oc2ccc3cncnc3c2)CCCC1 839316858 NMHNQKHKDVDZQD-UHFFFAOYSA-N 282.343 3.672 30 20 CHED C(=NOCc1ccccc1)c1ccc(N2CCCCC2)o1 839421568 JRDFTMZKYLNNLI-UHFFFAOYSA-N 284.359 3.821 30 20 CHED C=CCCC[C@H](C)OC(=O)c1ccc2cnccc2n1 840597055 GEBPAIXJSNDBKA-LBPRGKRZSA-N 270.332 3.531 30 20 CHED CC[C@@H]1OCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1O 840710618 KWKMOQLPAVBSEH-ZHIQDEJDSA-N 288.174 3.685 30 20 CHED C=CCC[C@H](NC(=O)OCCCF)c1ccccc1 841507219 VAMIPPQTXTYHPF-AWEZNQCLSA-N 265.328 3.780 30 20 CHED CO[C@H](C=NNc1cc(C(F)(F)F)ccn1)CC(C)C 841641414 XIGQJFFZQQYWJS-NSHDSACASA-N 289.301 3.559 30 20 CHED C#C[C@H](OC(=O)[C@@H](CC)CC(F)(F)F)c1ccccc1 842363694 OBKVIONAMACQKE-AAEUAGOBSA-N 284.277 3.883 30 20 CHED C#C[C@H](OC(=O)CCCCSC)c1ccc(F)cc1 842410238 CCOYXCVITYCZMN-AWEZNQCLSA-N 280.364 3.577 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CCC(N)CC1 843271685 DFHDRZXKSLREOG-ZHACJKMWSA-N 280.456 3.633 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)C1CCCC1 844622625 AGGWEDWQCGDQQB-UHFFFAOYSA-N 260.337 3.671 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cccc(C2CCC2)c1 844667661 STYBJMGMVMKVRN-NSHDSACASA-N 260.337 3.582 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 845199875 FNVXPKQGOUKLMU-PBHICJAKSA-N 284.403 3.974 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1NC1CCC1 846436555 GLGZQJFMUNNWRG-UHFFFAOYSA-N 270.376 3.639 30 20 CHED C=C[C@@H](C)ONC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 846544321 QIAOIZAAJAJWJK-LLVKDONJSA-N 286.375 3.701 30 20 CHED C=CCCN[C@@H](C)c1ccc(Cl)c(Cl)c1O 850502304 OATFCHFGHZTGEY-QMMMGPOBSA-N 260.164 3.926 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)O[C@@H](C)CC(C)(C)C#N 851212293 IPHKDABZCOOQDK-NSHDSACASA-N 284.359 3.962 30 20 CHED CC(CC(C)(C)C#N)=NNc1cccc(F)c1F 853312410 TZJRARTXAIBAHJ-UHFFFAOYSA-N 251.280 3.692 30 20 CHED COc1ccc(OC(F)F)c(C=NN2CCCC[C@@H]2C)c1 853380795 STXRSOLSVWMZCD-NSHDSACASA-N 298.333 3.505 30 20 CHED C/C(=C\C(=O)OCCC(C)(C)C#N)c1cccs1 856980076 DHPIGYCSMFZQRT-PKNBQFBNSA-N 263.362 3.634 30 20 CHED CCCC(=NNc1ncccn1)c1cc(C)sc1C 863079679 WNHPODBURINDNL-UHFFFAOYSA-N 274.393 3.771 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1cccc2c1OCO2 876497856 GTKOCRZPSZHLIH-SREVYHEPSA-N 299.351 3.645 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2ccc(OC(C)C)cc2)n1 881814084 NAWRTBOJQHBXGG-LBPRGKRZSA-N 296.374 3.617 30 20 CHED C=CCCCCCOC(=O)[C@@H]1CCOC2(CCC2)C1 885667271 IZFOCNQMSKYCME-CQSZACIVSA-N 266.381 3.625 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc(-c2cc[nH]n2)c1 891434752 YJULFOCXRABIQQ-GFCCVEGCSA-N 268.364 3.817 30 20 CHED CCN(Cc1cccc(Oc2ccccn2)c1)C[C@@H](C)C#N 891716606 ULGASNJDQNSDMJ-HNNXBMFYSA-N 295.386 3.855 30 20 CHED Cc1noc(C)c1C[C@H](C)Nc1ccc(C#N)cc1Cl 892614126 FLTHFAZKPNDKAA-VIFPVBQESA-N 289.766 3.860 30 20 CHED N#C[C@H](NC(=O)c1cc2ccccc2s1)C1CCCC1 893703825 AHLUAYXLJSZVMB-ZDUSSCGKSA-N 284.384 3.713 30 20 CHED C[C@@H](CCC(=O)Nc1ncc(C#N)s1)c1ccccc1 896485124 TWGMBYRGUUPWKA-NSHDSACASA-N 285.372 3.537 30 20 CHED N#C[C@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 896501357 QEELCXOBBCWOKD-SECBINFHSA-N 274.311 3.502 30 20 CHED N#CC1(CCCC[S@](=O)c2ccccc2F)CCC1 899278099 SYTMCUYWXUZCTN-IBGZPJMESA-N 279.380 3.797 30 20 CHED Cc1ccc(C(=O)/C=C\c2nc(C)c(C)[nH]2)cc1C 901417335 NHQRDBKAIOJTRO-FPLPWBNLSA-N 254.333 3.539 30 20 CHED C=CC[C@@H]1N(Cc2cc(C(=O)O)c(C)o2)CCCC1(C)C 902546685 XTNMPSDBBUJFHW-HNNXBMFYSA-N 291.391 3.853 30 20 CHED Cc1cc([C@H](C)NC(=O)c2ccsc2C#N)c(C)s1 906067162 QDWJSNHQXUEUSE-VIFPVBQESA-N 290.413 3.789 30 20 CHED CCn1cc(Cl)cc1C(=O)N(CCC#N)CC(C)(C)C 906583958 ZGNONIHLVYIZBX-UHFFFAOYSA-N 295.814 3.563 30 20 CHED CCCCCCCNCc1ccc(C(=O)NC2CC2)cc1 913169278 CEARPCOYFIEGLE-UHFFFAOYSA-N 288.435 3.639 30 20 CHED Cc1ccc(C)c(NC(=S)NN=Cc2ccccc2)c1 915912485 ONAASGKSBFDEIE-UHFFFAOYSA-N 283.400 3.624 30 20 CHED CCC(=NNCc1ccc(OC)cc1)c1ccccc1 917548189 FYAAVVCQJVBJCA-UHFFFAOYSA-N 268.360 3.599 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc2c(c1)OCO2 920376086 BTLGIFPBUHLAGR-UHFFFAOYSA-N 290.269 3.530 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1ccc(C(C)(C)O)cc1 924640942 VJTVFUGSSDACIW-AWEZNQCLSA-N 294.398 3.636 30 20 CHED C=C1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 929568907 YWVHLUNFCLEVPO-UHFFFAOYSA-N 297.358 3.889 30 20 CHED N#CC1(CCN[C@H](c2ccncc2)C2CC2)CCCCC1 934700820 XYJXGSCTTHTHJJ-KRWDZBQOSA-N 283.419 3.986 30 20 CHED Cc1cccc(C2=CCN(CCCC#N)CC2)c1C 934846606 SXLYHMONWGWWFA-UHFFFAOYSA-N 254.377 3.696 30 20 CHED CCCCCCCC(=O)NCCc1ccccc1OC 935634868 BDUSHRZLQGGOCV-UHFFFAOYSA-N 277.408 3.714 30 20 CHED N#CCCCCSCc1ccc(-n2ccnc2)cc1 1116761840 REGKACLUPBXQSO-UHFFFAOYSA-N 271.389 3.799 30 20 CHED C=CCOCCCc1nnc(-c2ccc(Cl)cc2F)o1 1117241410 VPAYKBBNJDFTTQ-UHFFFAOYSA-N 296.729 3.664 30 20 CHED Cc1ncccc1CSCCCOc1ccc(C#N)cc1 1117647194 JBJNCWIYYKNMLT-UHFFFAOYSA-N 298.411 3.964 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc(-c2ccccc2)ns1 1121161490 UNUSDJQPAYCKDS-ZDUSSCGKSA-N 299.399 3.574 30 20 CHED Cc1nc(C#N)cc(NC[C@H]2CCCC[C@@H]2C(C)(C)C)n1 1162352283 YGYSOGMKSNFZHP-HIFRSBDPSA-N 286.423 3.921 30 20 CHED C=C[C@H](COC)N[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 1261139209 IUDSYNZJALZZFH-CXAGYDPISA-N 284.403 3.644 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2cc(C#N)ccc2C)cc1 1264438770 ZGGQNIZPXBIYDW-CQSZACIVSA-N 278.355 3.666 30 20 CHED N#Cc1nc(Oc2ccc(F)c(F)c2)sc1Cl 1306910822 IDLUBRREAVBBLA-UHFFFAOYSA-N 272.663 3.739 30 20 CHED N#Cc1cccc(SCc2cncc(Cl)c2)c1 1307309525 RKTMLNZCZZFXMO-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CCSc1ccccc1CN(C)CC(C)(C)C#N 1307795329 YISZUSIWGKMCIA-UHFFFAOYSA-N 262.422 3.780 30 20 CHED CCC(CC)NN=Cc1cn[nH]c1-c1ccc(Cl)cc1 1319517277 MTBFNJLUXZOMTO-UHFFFAOYSA-N 290.798 3.842 30 20 CHED COc1ccc2nc(NN=C[C@H](C#N)C(C)C)c(C)cc2c1 1320690594 IIACKFQKQZNJMC-AWEZNQCLSA-N 296.374 3.745 30 20 CHED CC(C)(C)c1ccc(NN=C2CCC(C(F)F)CC2)nn1 1321668172 CBTMKONJQITXGW-UHFFFAOYSA-N 296.365 3.997 30 20 CHED C=CCCCC(=O)Nc1cc(C)nn1-c1cccc(C)c1 1322311139 PTODHJYGHMTQSB-UHFFFAOYSA-N 283.375 3.784 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(C(C)=O)cc1 1324714555 OVKGRCJUAWDFDV-UHFFFAOYSA-N 260.333 3.535 30 20 CHED C[C@H]1CC(=NNc2ccccc2Cl)CC[C@H]1C(=O)O 1324915282 WVNIZUGBCXVUEQ-GXSJLCMTSA-N 280.755 3.629 30 20 CHED C=CCC1(C(=O)N(C)[C@H]2CC[C@H](SC)C2)CCCC1 1326489292 QSAOGUUWPINNGK-KBPBESRZSA-N 281.465 3.865 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2sccc2C#N)C1 1333269836 GGMSXJSSBLATTA-GHMZBOCLSA-N 277.393 3.662 30 20 CHED Cc1cnc(Cl)cc1C(=O)O[C@H](C#N)C1CCCCC1 1336408516 UMMDDRGKQKDBFH-CYBMUJFWSA-N 292.766 3.673 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@H](C)c1ccco1 1337552240 VABIVXFQWSFVLB-KBPBESRZSA-N 261.365 3.730 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 1338328155 JKZMVFMCYBNXSD-HBNTYKKESA-N 296.823 3.656 30 20 CHED C=C(C)CNC(=O)N1CCC(Cc2ccc(C)cc2)CC1 1343045829 INQJFGAOGZFGJY-UHFFFAOYSA-N 286.419 3.535 30 20 CHED CC(C)c1ccoc1C(=O)O[C@H](CC#N)c1ccco1 1345546294 CVWJGQPXMRSDIP-CYBMUJFWSA-N 273.288 3.808 30 20 CHED C=C[C@H](C(=O)N1CCC(c2ccco2)CC1)c1ccccc1 1347315712 ALUGLPYGEQAUGC-KRWDZBQOSA-N 295.382 3.955 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1cc(C#N)ccc1F 1457131355 WUIXJFJUWDULNG-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)C1(C)C 1458436670 ZKCCMKHPYJDTPX-LSDHHAIUSA-N 297.402 3.824 30 20 CHED CC1(C)CCC[C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)C1 1478830969 ZARZVJXUYFDFKR-WMLDXEAASA-N 291.439 3.538 30 20 CHED N#Cc1cc(C(=O)O[C@H]2CCc3cc(F)ccc32)ccc1F 1516250306 KFSMYSGBWTXGPL-INIZCTEOSA-N 299.276 3.681 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)ccn1)c1ccc(C)c(F)c1 1520767969 DWLSOBNEVFCVMR-MRXNPFEDSA-N 298.317 3.709 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)c2ccccc2)cc1C#N 1522383348 ZZIUJMHVZAUGBS-UHFFFAOYSA-N 294.354 3.988 30 20 CHED O=C(O)c1cc(NN=C2CCC23CCCC3)ccc1F 1602286535 KEKWIBQUUBPDID-UHFFFAOYSA-N 276.311 3.646 30 20 CHED C=C(C)CCSCc1ccc(C(=O)O)c(F)c1 1602760578 AOEMOAZEPOVIFR-UHFFFAOYSA-N 254.326 3.723 30 20 CHED Cc1ccccc1COC(=O)N(C)Cc1cccc(C#N)c1 1621634265 OOJBPAQIDFHBTO-UHFFFAOYSA-N 294.354 3.635 30 20 CHED N#Cc1cnc(N(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)c(F)c1 1639323493 PEQHAOLBSFPYGL-QEJZJMRPSA-N 299.393 3.887 30 20 CHED Cc1cc(NC2CC(C)C2)n2c(nc3ccccc32)c1C#N 1639583039 WNWHVOHHWPEVHS-UHFFFAOYSA-N 290.370 3.878 30 20 CHED CCN(CCOc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1C 1645287174 JLGNCRHPYMKQFH-YJBOKZPZSA-N 286.419 3.838 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)c1ncc(C#N)cc1F 1651572394 JCRCCFZARSMYLR-INIZCTEOSA-N 297.377 3.858 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1Cc1ccc(C#N)cc1OC 1652892734 DQGGNPMWRVBJTE-RHSMWYFYSA-N 286.419 3.967 30 20 CHED N#Cc1cncc(N[C@@H]2CCCC[C@H]2Cc2ccccc2)n1 1655098467 DVMFCOUOQJPLSA-DOTOQJQBSA-N 292.386 3.562 30 20 CHED CCc1cc(Nc2c(C#N)cccc2C#N)ccc1F 1655460158 CHCKGLIRJVCDOX-UHFFFAOYSA-N 265.291 3.875 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cc(C#N)ccn1 1658845970 JPTXISXVEGVNSM-HIFRSBDPSA-N 271.408 3.600 30 20 CHED Cc1ccccc1CC1CN(Cc2ccc(C#N)c(F)c2)C1 1660321075 JWHTZLIEFYZJFW-UHFFFAOYSA-N 294.373 3.680 30 20 CHED C=C(CNC(=O)NCC1CCCCCC1)c1ccccc1 1682381447 ARMZQRGPNTYDAS-UHFFFAOYSA-N 286.419 3.969 30 20 CHED C=CCCCCN(C)Cc1ccc2oc(C(=O)O)cc2c1 1776174923 BMEXCZIEKXXIGJ-UHFFFAOYSA-N 287.359 3.919 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1cccc(C(=O)O)c1F)C2 1777455751 UYHPBIDGRSYEFS-UKTHLTGXSA-N 296.297 3.655 30 20 CHED O=C(O)c1ccc(/C=C2/CCc3ccsc3C2=O)cc1 1777673489 YOWARKZPFUUZPW-LCYFTJDESA-N 284.336 3.659 30 20 CHED CC(C)Cc1ccc(-c2csc(NC(=O)CC#N)n2)cc1 5908761 LKNWINJNFJDJMQ-UHFFFAOYSA-N 299.399 3.861 30 20 CHED Cc1ccc(C(=O)N(C)c2ccc(OCCC#N)cc2)cc1 27214863 WWRWKXSHQIAIMG-UHFFFAOYSA-N 294.354 3.564 30 20 CHED Cc1nc(C)c(C#N)c(SCc2cccc(F)c2F)n1 29675062 QEZAPLSHFBWQKE-UHFFFAOYSA-N 291.326 3.536 30 20 CHED CN(CCCOc1ccc(C#N)cc1)Cc1ccsc1 35719215 ZFHGBSVCQVOTAA-UHFFFAOYSA-N 286.400 3.521 30 20 CHED N#C[C@H](NC(=O)CCC1CCCC1)C1CCCCC1 40359998 JFHXYHZSPQACRC-HNNXBMFYSA-N 262.397 3.545 30 20 CHED N#Cc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 46047402 UAHNBHLOROQFSP-UHFFFAOYSA-N 285.734 3.533 30 20 CHED CCOc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 50212874 UDXRVSPVQYJARB-UHFFFAOYSA-N 280.327 3.518 30 20 CHED C=CCN(CC=C)Cc1cc(-c2cccs2)on1 52868617 QYJXFEXWUNRRIL-UHFFFAOYSA-N 260.362 3.577 30 20 CHED N#Cc1cccc(CNC(=O)c2csc3ccccc23)c1 55460822 ZMNVPJDGFBUBPM-UHFFFAOYSA-N 292.363 3.703 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(F)cc1 55891176 NJDBKXPTQRXVGP-UHFFFAOYSA-N 299.345 3.663 30 20 CHED N#Cc1cnc(NC(=O)c2ccc(Cl)cc2Cl)s1 56939554 HZRDGUHSODWEOX-UHFFFAOYSA-N 298.154 3.574 30 20 CHED Cc1cccc(SCC(=O)Nc2ccc(CC#N)cc2)c1 60134455 GWGJRAUMBHJQPG-UHFFFAOYSA-N 296.395 3.792 30 20 CHED Cc1nc(CN(C)c2ccc(C#N)c(Cl)c2)cs1 61851174 OACVDETXJMPENT-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C[C@H](Cc1ccc(F)cc1)NCc1cc(C#N)ccc1F 62052919 HAQDIBXRRIVMFS-GFCCVEGCSA-N 286.325 3.557 30 20 CHED CCCCN(CCCC)C(=O)Cc1ccc(C#N)cc1 70158746 VBHDJDAHANMCEO-UHFFFAOYSA-N 272.392 3.530 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)o2)cc1 72678957 FQAZWDMEXCMWIX-UHFFFAOYSA-N 298.342 3.547 30 20 CHED C=CCCC(=O)NCC(C)(C)c1ccccc1Cl 76194730 WREFANIWGSYWBG-UHFFFAOYSA-N 265.784 3.700 30 20 CHED CC(C)[C@@H](C)S[C@H](C)C(=O)Nc1ccccc1C#N 79080770 QXPLCNZDXBGMAA-VXGBXAGGSA-N 276.405 3.663 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cncc(C)c1 80217878 IYHFSXHTUKNTDL-UHFFFAOYSA-N 272.392 3.599 30 20 CHED N#C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CC1 80412756 FCDACDBKTUISGB-KRWDZBQOSA-N 294.354 3.506 30 20 CHED CCOc1ccc(C#N)cc1NCc1cccnc1Cl 81154905 UXOABRHCBFCIHX-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(-c2nc(C)cs2)c1 84708926 NLQAODPKKJNZLN-ZDUSSCGKSA-N 286.356 3.578 30 20 CHED CC(=O)Nc1cc(NCC(C)(C)CCC#N)ccc1F 89785114 RVAUBWMYKCBHHU-UHFFFAOYSA-N 277.343 3.526 30 20 CHED CCOc1ccc2c(c1)CN(Cc1cc(C#N)cs1)CC2 92666682 GOJOBEBVGWKQFF-UHFFFAOYSA-N 298.411 3.577 30 20 CHED C=CCOc1ccc(C(=O)N(CCC)CCC)cc1 97150875 YUFSXWJVVYBSJA-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCCO1 102670118 OZOJZLGCPJAVPO-LLVKDONJSA-N 271.813 3.569 30 20 CHED CCCCCCCCC(=O)Nc1ccc(C#N)cn1 110286445 KYQAPKOZEDNUFJ-UHFFFAOYSA-N 259.353 3.642 30 20 CHED CC(C)Oc1cccc([C@@H](C)NC[C@@H](C#N)CCC#N)c1 112528247 FGEUUUYBXYYAKT-HUUCEWRRSA-N 285.391 3.568 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)[C@@H](c1ccccc1)C(C)C 112588889 RZPUBZXKQGEDSS-NVXWUHKLSA-N 289.419 3.823 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(CCC#N)Cc1cccnc1 114320742 CGJQCQPFILCMBE-OAHLLOKOSA-N 299.418 3.540 30 20 CHED C=CCCS(=O)(=O)N1CCCCC[C@H]1c1ccccc1 119779637 SLCCZDYKACXOAD-INIZCTEOSA-N 293.432 3.510 30 20 CHED C=C[C@H](CC(=O)N1CCCC[C@@H]1C)c1ccccc1 122375274 VLIKIUHHUVBDSE-LSDHHAIUSA-N 257.377 3.747 30 20 CHED CC(C)(C)c1cnc(CSc2cc(C#N)ccn2)o1 125669727 RZUOZNXQRROETF-UHFFFAOYSA-N 273.361 3.531 30 20 CHED COc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 128449064 QYYLXNXKRLNXMB-UXBLZVDNSA-N 297.310 3.808 30 20 CHED CCCCCCCCCNC(=O)Cc1ccc(C)nc1 129272380 OGIFDIMTJMGKGK-UHFFFAOYSA-N 276.424 3.799 30 20 CHED C=C(C)COc1cccc(NCc2cscn2)c1 129280459 WHDYITVNKUOSCI-UHFFFAOYSA-N 260.362 3.710 30 20 CHED N#Cc1ncccc1NCc1cccc2ccccc12 129985204 ROGSIMWUSCUYRR-UHFFFAOYSA-N 259.312 3.719 30 20 CHED N#Cc1ccc(OCc2cc(F)ccc2C#N)c(Cl)c1 130339015 OVPLGNDYDYQNHQ-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C=C(Cl)CNCc1cc(Cl)cc(Cl)c1O 131664524 CZHIASQVASCLLF-UHFFFAOYSA-N 266.555 3.541 30 20 CHED C[C@H]1C[C@H](Nc2ccc(Br)cc2C#N)CS1 132697890 HTRMDKUBKCSNJX-KWQFWETISA-N 297.221 3.627 30 20 CHED N#Cc1ccc(-c2nnc(CSc3ccccc3)o2)cc1 133229789 HVAPUYHKXZDGEP-UHFFFAOYSA-N 293.351 3.901 30 20 CHED C[C@@H](O)C[C@@H](CNc1ccc(C#N)cc1)c1ccccc1 133596693 JLTHIWATGHXZPT-PBHICJAKSA-N 280.371 3.525 30 20 CHED C=CCCC(=O)COc1cccc(Cl)c1Cl 134644873 JYAWNXJSBSGFQK-UHFFFAOYSA-N 259.132 3.908 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(NC(=O)OC)c(F)c1 135177561 YFSJXGJFGSWCMW-HNNXBMFYSA-N 294.326 3.545 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1sc(C)nc1CC(C)C 135475185 DPVJLAMQYHCDSX-SNVBAGLBSA-N 281.425 3.736 30 20 CHED C=C[C@H](Cc1nc(-c2ccncc2)no1)c1ccccc1 136458199 GTLHQXFRHHIHJQ-CYBMUJFWSA-N 277.327 3.644 30 20 CHED C=C(C)COCCNC(=O)Nc1cccc(C(C)C)c1 136960178 UDEXSPCLQUEMJB-UHFFFAOYSA-N 276.380 3.524 30 20 CHED C=CCCCCCN(C)Cc1nc(Cc2ccccc2)no1 150873603 NMHFREUMRHGLQY-UHFFFAOYSA-N 299.418 3.839 30 20 CHED CCN(C(=O)c1cccc2c1CCC2)c1ccc(C#N)cc1 151922183 SOUUZPXMDTUTTP-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C=CCC[C@H](CC)NC[C@@H](c1ccco1)N1CCCC1 152288596 OOZIKPIWSDVNBW-HOTGVXAUSA-N 276.424 3.751 30 20 CHED CCN(CCC#N)Cc1ncc(-c2ccccc2)s1 154255335 CZLIZJNWXDSMIR-UHFFFAOYSA-N 271.389 3.546 30 20 CHED Cn1c(-c2cccc(OCCC#N)c2)nc2ccccc21 154823171 FKVMDEMAWKEOTE-UHFFFAOYSA-N 277.327 3.533 30 20 CHED C#CCCCCNC(=O)C1(c2cccc(C)c2)CCCC1 156634273 CDUQQYFXUCZFHE-UHFFFAOYSA-N 283.415 3.727 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CCO1 157863478 WPNOWPGRYLMBJZ-CABZTGNLSA-N 284.281 3.556 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(C)c(C)o2)C(C)C)c1 160567474 OHKKMZNPAUMHCQ-UHFFFAOYSA-N 281.355 3.933 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 161629330 FWUKMWVIYLIQPI-FUHWJXTLSA-N 284.403 3.731 30 20 CHED C[C@@H](CNCc1ccc(C#N)cc1F)c1ccc(F)cc1 162507377 LFUDWKKMRYTBTD-LBPRGKRZSA-N 286.325 3.730 30 20 CHED CCCC(CCC)C(=O)Oc1ccc(C#N)cc1OC 163922380 OSGSKDSVFKKGNX-UHFFFAOYSA-N 275.348 3.689 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(Br)s1 167255346 DFWZIDFZXWMYOW-SECBINFHSA-N 287.226 3.855 30 20 CHED C=CCCCCCN(C)Cc1sc(C)nc1C 172832561 WVHAFGQNQHZNQK-UHFFFAOYSA-N 252.427 3.938 30 20 CHED C[C@H](OC(=O)[C@@H](C)Oc1ccccc1)c1ccc(C#N)cc1 175752668 KUZSEELRTKJUGZ-UONOGXRCSA-N 295.338 3.630 30 20 CHED CCc1ccc(Cl)c(CC)c1NC(=O)N(C)CCC#N 176543839 FGMUZIXKRQYURI-UHFFFAOYSA-N 293.798 3.842 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)c1ccc(Cl)s1 176615785 BQLLEFIWCHBVTA-RKDXNWHRSA-N 257.786 3.586 30 20 CHED N#Cc1csc(CNCC2(c3cccc(F)c3)CC2)c1 177704686 MZIYNNYLUOAIGG-UHFFFAOYSA-N 286.375 3.580 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1cccc(C#N)c1C 178568611 NCUYBBPHSDCYJP-LBPRGKRZSA-N 273.380 3.767 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc2c1CCC2 178632553 HXFCFFHQXKLDBU-UHFFFAOYSA-N 276.339 3.608 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(CC#N)c1ccccc1 178682401 AVLCNVPWJYHILF-GJZGRUSLSA-N 296.395 3.717 30 20 CHED CCn1cc(C(=O)O[C@@H](C)C(C)(C)C#N)c2ccccc21 178812099 GWPGZGUSRMEVBN-LBPRGKRZSA-N 284.359 3.756 30 20 CHED N#Cc1ccc(/C=C/c2ccc(OC(F)F)c(F)c2)nc1 178813526 SOCMWYXFOXZSBH-DAFODLJHSA-N 290.244 3.864 30 20 CHED Cc1[nH]c2c(C(=O)O[C@H]3CC[C@@H](C#N)C3)cccc2c1C 179877179 RZIRSAAZVKXYAU-OLZOCXBDSA-N 282.343 3.634 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(OC)ccc1O 180059565 DKQNPJODUPYDDV-UHFFFAOYSA-N 290.407 3.553 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)C1CCCCC1 181113447 VIKUPDYMUXLRFU-CYBMUJFWSA-N 252.402 3.705 30 20 CHED C=C(C)CN(C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 181246957 MZLWZKZCUPUTIS-OAHLLOKOSA-N 296.414 3.525 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1nc2cc(C#N)ccc2n1CC 181300234 VIYHNFUJQVVYDP-NWDGAFQWSA-N 298.390 3.549 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 182371622 MRKPXSXKWIUUCO-ZJUUUORDSA-N 276.405 3.729 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(F)c(F)c(F)c1F 182638095 HWBHIJZVKOTEMS-QMMMGPOBSA-N 289.272 3.718 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 183964064 QHKDCLUULVOUNK-CHWSQXEVSA-N 298.308 3.531 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(F)c(SC)c(F)c1 184370589 YXGMTFMBPQMEHW-MRVPVSSYSA-N 286.347 3.773 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 184909326 SESQINVXEGKOMM-NSHDSACASA-N 263.768 3.567 30 20 CHED CC#CCCCC(=O)N1CCc2sccc2[C@@H]1CC 185271572 HDHGEYWYAVAFEW-AWEZNQCLSA-N 275.417 3.778 30 20 CHED C[C@H]1CCC[C@@H](Cn2cc(C#N)c(=O)c3ccccc32)C1 185529310 RMGSBEAWUANVPN-UONOGXRCSA-N 280.371 3.699 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 185730506 AIOHBUZVLKRPSN-IEBWSBKVSA-N 296.414 3.731 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CCSc3ccccc32)C1 185753917 NACJMVGYJKKVHQ-KCQAQPDRSA-N 272.417 3.895 30 20 CHED C=C(C)[C@@H](NC(=O)N(CC)C1CC1)c1ccc(F)c(F)c1 185827624 IJLDDRZRJZSGOB-OAHLLOKOSA-N 294.345 3.776 30 20 CHED Cc1cc(N(C)C)cc(C)c1NCc1ccc(C#N)s1 186267280 YFTGOAIYRMWRCL-UHFFFAOYSA-N 285.416 3.915 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)Cc1ccsc1 186278102 XMQRWOPQDJLIRT-ZDUSSCGKSA-N 298.411 3.713 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)C[C@H]1C=CCCC1 186994481 BDZSTMQXRHBMTK-ZDUSSCGKSA-N 285.391 3.800 30 20 CHED C=CCC[C@H](C)NCCc1ccccc1OC(F)F 188727024 OLOKYXPXADSMRK-LBPRGKRZSA-N 269.335 3.775 30 20 CHED Cn1ccc2cccc(NCc3cc(C#N)ccc3F)c21 190799395 ISFLFGYAHXJXPI-UHFFFAOYSA-N 279.318 3.801 30 20 CHED C#CCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 192155754 LONPGENWCDCJLP-UHFFFAOYSA-N 296.197 3.682 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 192420978 DNCNSROVGZAOKU-LURJTMIESA-N 290.125 3.556 30 20 CHED N#CC1(NC(=O)/C=C/c2ccc(Cl)s2)CCCCC1 192844205 SHSWIADDGUQBHG-FNORWQNLSA-N 294.807 3.757 30 20 CHED N#CCCCSCc1cccc(Br)c1 194231834 AOUYMAQUWHGLFH-UHFFFAOYSA-N 270.195 3.986 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 194393595 GOILNTISXXORIN-GOEBONIOSA-N 275.392 3.625 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1 206383854 ZVXSNMVCDGCQTN-YFHOEESVSA-N 256.301 3.883 30 20 CHED N#Cc1ccccc1C[S@](=O)Cc1ccccc1Cl 220606105 MVDWCWHLSUAVHB-IBGZPJMESA-N 289.787 3.661 30 20 CHED Cc1nc(SCc2cccc(C#N)c2F)oc1C 223543775 XBCIHGWEEABAFN-UHFFFAOYSA-N 262.309 3.595 30 20 CHED CN(CCCCC(C)(C)C#N)CCc1ccccc1 234271861 POOYSVHROWUYSW-UHFFFAOYSA-N 258.409 3.881 30 20 CHED COc1cc(F)ccc1N=Cc1cc2ccccc2nc1O 254989214 BWSHRQCAFVFQNG-UHFFFAOYSA-N 296.301 3.839 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc3c2OCCO3)o1 255330956 SKYKMGAEYZKVJF-VURMDHGXSA-N 284.311 3.509 30 20 CHED COc1ccc(/C=C\c2ccc(C#N)cn2)cc1Cl 255690408 KADVRMVLRVRXHW-DJWKRKHSSA-N 270.719 3.786 30 20 CHED C=CCCCC(=O)n1ccccc1=Nc1ccccc1 255867712 OKYBIBYDDITYBP-UHFFFAOYSA-N 266.344 3.717 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 266506929 LMYOBFGJAJBKBJ-FZMZJTMJSA-N 278.783 3.761 30 20 CHED C=C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 269014307 WFJPUDPXEOFOOP-UHFFFAOYSA-N 254.377 3.640 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1cc2ccccc2s1 273259274 FLMBNXDUJIHLIK-OLZOCXBDSA-N 283.400 3.995 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 276162531 RAEBHAIZGFZVPT-ZFWWWQNUSA-N 276.767 3.623 30 20 CHED C=CCCN(C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 277478004 SDNYLMJJEMCOKW-UHFFFAOYSA-N 288.178 3.615 30 20 CHED C=CC[C@H]1N(C(=O)c2ccncc2C)CCCC1(C)C 278195991 DUTPCUHNWSFGDM-OAHLLOKOSA-N 272.392 3.597 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)CC(C)(C)C#N)cc1 278406165 VCADHEMFMYEGTI-MRXNPFEDSA-N 284.403 3.989 30 20 CHED CC(C)N(Cc1ccc(F)cc1)C(=O)CC(C)(C)C#N 278562325 PWKVPTBTGBACNO-UHFFFAOYSA-N 276.355 3.503 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)C1CC1 279321844 DJJHDWVXADBFLJ-AWEZNQCLSA-N 257.377 3.637 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(NC(C)=O)cc1 281148506 ASFRNOJYEJNLRF-WFASDCNBSA-N 260.381 3.650 30 20 CHED CSc1ccccc1[C@H](C)NCCCSCC#N 281705060 OBAIVQLZZSANIZ-LBPRGKRZSA-N 280.462 3.706 30 20 CHED Cc1cccc(N(C)CCCC2(C#N)CCOCC2)c1 281936245 ILEWUJIPLVRUPI-UHFFFAOYSA-N 272.392 3.532 30 20 CHED CC(C)c1ccoc1C(=O)N(C)c1ccccc1C#N 284290875 SUDGWZWDOUQDIX-UHFFFAOYSA-N 268.316 3.551 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)C(C)(C)C#N)C2)cc1 286382590 DWPJVXRDDGZHJP-MRXNPFEDSA-N 284.403 3.505 30 20 CHED CC1(C)CCC[C@H]1NC(=O)c1cc(C#N)ccc1Cl 287627438 TZNRKDGIHNPGJV-CYBMUJFWSA-N 276.767 3.520 30 20 CHED Cc1cc(C(=O)N2CCCC2)ccc1NCCC(C)(C)C#N 288780008 WGDOWAWSJCMIHS-UHFFFAOYSA-N 299.418 3.583 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 289478612 IBAVFOAPQVOQFC-OLMNPRSZSA-N 296.414 3.653 30 20 CHED Cc1ccncc1CCCNc1ccccc1O[C@@H](C)C#N 289961408 BGXBWKITGKGUGS-HNNXBMFYSA-N 295.386 3.726 30 20 CHED C[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)c1ccc2ccccc2c1 291520329 YAVNJIALELNOEM-YJYMSZOUSA-N 292.382 3.752 30 20 CHED C=C1CCN(C(=O)c2cc(Cl)c3ccccc3n2)CC1 295254342 MZKMBFSMBWHHOU-UHFFFAOYSA-N 286.762 3.680 30 20 CHED N#Cc1c(Cl)nsc1N[C@H]1CCc2ccc(F)cc21 301184047 JCFKHOSRQFHXKW-NSHDSACASA-N 293.754 3.907 30 20 CHED CC[C@@H](Nc1snc(Cl)c1C#N)c1nc(C)cs1 301215838 XVGADSVNRMAAKW-MRVPVSSYSA-N 298.824 3.996 30 20 CHED C[C@@]1(CNc2c(Cl)cccc2C#N)CCCC[C@H]1O 301488056 IYIOHMPSHOBHKF-HIFRSBDPSA-N 278.783 3.565 30 20 CHED CC(C)CCn1ccc(Nc2cccc(F)c2C#N)n1 302022328 ITHRYAAWTCSSFL-UHFFFAOYSA-N 272.327 3.684 30 20 CHED C[C@H]1CC[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1 302571339 ZEOXMEKNJRXJMR-SMDDNHRTSA-N 251.333 3.707 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCOc2c(F)cccc21 302641248 IIGDBSLEJWAJKS-HNNXBMFYSA-N 286.281 3.772 30 20 CHED C[C@H]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 303414733 VXLAQYOTHZHFNI-UMSPYCQHSA-N 291.782 3.912 30 20 CHED C=C[C@@H](C)N[C@@H]1CCc2ccc(Br)cc21 308830708 TUZYKMLHZLXCTH-NOZJJQNGSA-N 266.182 3.601 30 20 CHED C=C(Cl)CN[C@@H](CC)c1cccc(Cl)c1O 310019859 MPSHSOSQIMPJOX-NSHDSACASA-N 260.164 3.839 30 20 CHED CC(C)(CC#N)CNC(=O)c1cc(Cl)ccc1Cl 315623294 PNMBBXIIYLTGIK-UHFFFAOYSA-N 285.174 3.663 30 20 CHED O/C(=N/[C@@H]1C[C@@H]1C1CCCCC1)c1snnc1C1CC1 329512286 KYMTWJFVCMRKIV-VXGBXAGGSA-N 291.420 3.689 30 20 CHED CCCc1occc1/C(O)=N/C1(CCO)CCCCC1 330937219 AKCIEYISRVRURO-UHFFFAOYSA-N 279.380 3.622 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(O)=Nc1cc(F)cc([N+](=O)[O-])c1 331000681 VURBSIQTQYJANJ-JOYOIKCWSA-N 295.314 3.542 30 20 CHED Cc1ccc2ncc(CN3CCC(CC#N)CC3)cc2c1 334568194 WXCBMPCNUHWNOF-UHFFFAOYSA-N 279.387 3.669 30 20 CHED Cc1cncc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 334921011 IIGDLTHESSBMCM-AUUYWEPGSA-N 291.398 3.990 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2ccccc2)C1 335069737 QBDVFUCJPHGDJI-OAHLLOKOSA-N 257.377 3.605 30 20 CHED CC(C)c1ccccc1NC(=O)N1CCC(CC#N)CC1 335749805 JJFPGNLROXWCAT-UHFFFAOYSA-N 285.391 3.968 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 336234959 QOAOKWOOYZIYEX-SKDRFNHKSA-N 286.158 3.523 30 20 CHED CN(Cc1ccccc1C#N)c1cccc2cccnc12 340215235 QWCUXPMJYGJLDA-UHFFFAOYSA-N 273.339 3.743 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(SC2CC2)cc1 341077055 XPPVXADXGWYHFB-MRXNPFEDSA-N 288.416 3.609 30 20 CHED N#Cc1cccc(CCNc2ccnc(C(F)(F)F)c2)c1 343077478 ZOIURQGIFBIWLQ-UHFFFAOYSA-N 291.276 3.627 30 20 CHED Cc1ccnc(N[C@H]2CCCOc3ccc(F)cc32)c1C#N 343524076 YJJOWPIWOJJMDI-HNNXBMFYSA-N 297.333 3.727 30 20 CHED CCc1cnccc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 344296366 LVHLHKFXZHIOPE-KGLIPLIRSA-N 279.387 3.927 30 20 CHED CC(C)COc1ccc(NCc2ccc(C#N)cc2F)cn1 344840764 ZFDPFWQDJWFRSS-UHFFFAOYSA-N 299.349 3.739 30 20 CHED CC(C)[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)CCO1 346136537 RELIWVQTJRIFKW-KSZLIROESA-N 286.419 3.825 30 20 CHED Cc1cc2cc(CNCc3ccc(C#N)cc3F)ccc2[nH]1 353118909 MREKPPMKULGNCB-UHFFFAOYSA-N 293.345 3.777 30 20 CHED CC(C)[C@H](NCCCC#N)c1cc(F)ccc1F 358984869 LMXOIFNQBPVOKJ-AWEZNQCLSA-N 252.308 3.555 30 20 CHED CC(C)[C@H](NCCCCC#N)c1ccc2nc(O)oc2c1 359378793 CIXRQFDKFFMPSV-HNNXBMFYSA-N 287.363 3.514 30 20 CHED Cc1nc(Nc2cnn(CC(C)C)c2)c(Cl)cc1C#N 360068149 ZRHDRJAPRVGRLT-UHFFFAOYSA-N 289.770 3.511 30 20 CHED Cc1cccc(OCCCNCC(C)(C)CCC#N)c1C 362969847 PNBHKMTZQHWLNO-UHFFFAOYSA-N 288.435 3.992 30 20 CHED CC(C)n1ncc2c1[C@H](N[C@H]1CCC[C@H](C#N)C1)CCC2 373322948 DIQOGQDKDLKLQN-CWRNSKLLSA-N 286.423 3.513 30 20 CHED C=CCCCCCN1CCC2(CC(OCC)C2)C1 375741988 KDOQIKBLZWIVDL-UHFFFAOYSA-N 251.414 3.624 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2F)c2ccccc21 398509461 PTUDHOKLRDLNNJ-GFCCVEGCSA-N 266.319 3.821 30 20 CHED C=CC[C@H](CC)NC(=O)C1CCC(C(F)(F)F)CC1 410143649 RSMSLQVDHOGUMR-MCIGGMRASA-N 277.330 3.826 30 20 CHED C[C@@H](CCC#N)N1C[C@@H](c2ccccc2)C(C)(C)C1 411380388 AUSIYWVKLQDUMN-HOCLYGCPSA-N 256.393 3.804 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 412800098 AUYCLCCUTDSTQO-IRXDYDNUSA-N 298.430 3.822 30 20 CHED CSCc1nnc(SCCC2(C#N)CCCCC2)o1 412984078 BKOLSIYQPAOLEE-UHFFFAOYSA-N 297.449 3.889 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)CCCOC 414308282 SPFIREYCYYVFQG-WBVHZDCISA-N 261.409 3.579 30 20 CHED C[C@@]1(c2ccccc2)CC[C@@H](NCC2(C#N)CCC2)C1 418144730 VBZKKDACLLCFLG-IAGOWNOFSA-N 268.404 3.780 30 20 CHED COc1ccc([C@H](C)CNCc2ccc(C#N)s2)cc1 421355969 VQZXAQMOUXATDL-GFCCVEGCSA-N 286.400 3.522 30 20 CHED Cc1nc(C(C)C)oc1CN(CCC#N)CC(C)(C)C 428223468 OYEFHTLNLZOCGQ-UHFFFAOYSA-N 277.412 3.868 30 20 CHED N#Cc1c(F)cccc1CNC1(C(F)F)CCCCC1 428965564 TVXWKIZKSJCCED-UHFFFAOYSA-N 282.309 3.755 30 20 CHED CCC(C)(C)CC(=O)Nc1ccc(C#N)cc1Cl 430368049 DGFKLTLBXQGIOS-UHFFFAOYSA-N 264.756 3.976 30 20 CHED C=CCOc1cccc(NC(=O)NCC(C)(C)CC=C)c1 432756850 GRXKMCNUPJTNLH-UHFFFAOYSA-N 288.391 3.975 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(F)c1C 432981079 ZTSLXTLGGUMNJG-UHFFFAOYSA-N 264.344 3.858 30 20 CHED CSC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCC1 433062009 RITDVQQFMJGMSL-MRXNPFEDSA-N 286.444 3.811 30 20 CHED N#Cc1ccc(/C=C\c2ncc(Br)s2)cc1 434633919 NFZNWRUDTMZSMP-WAYWQWQTSA-N 291.173 3.948 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)c2ccc(F)c(C)c2)CC1 435402224 OCBFADDVEHQVOI-CYBMUJFWSA-N 290.382 3.803 30 20 CHED CC(C)(C#N)CCCCSCc1noc(C2CC2)n1 435885253 HQQWBZKHSAOTCD-UHFFFAOYSA-N 279.409 3.900 30 20 CHED N#Cc1cccc(C#N)c1NCc1c(F)cccc1Cl 436313956 PYXLSKQZGDJGRE-UHFFFAOYSA-N 285.709 3.835 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccnc(Oc2ccccc2)c1 438494798 OJIAZQGQFFYBMW-CYBMUJFWSA-N 297.358 3.960 30 20 CHED CCn1c(NC(=O)C(C)(C)C(C)C)nc2cc(C#N)ccc21 438944900 FLSCYHJDNRQSHQ-UHFFFAOYSA-N 298.390 3.549 30 20 CHED C=CCC[C@@H](NCCc1ccc(-n2cccn2)cc1)C1CC1 439076553 GMNGLAAFAXNQHF-LJQANCHMSA-N 295.430 3.749 30 20 CHED C[C@H](C(=O)N(C)c1ccc(C#N)cc1)c1cccc(Cl)c1 439934585 QOSOPKQADUBFQH-LBPRGKRZSA-N 298.773 3.978 30 20 CHED C=CCC[C@H](NC(=O)NC)c1ccc(C(F)(F)F)cc1 441324299 NFYJHDDEXLSZAB-LBPRGKRZSA-N 286.297 3.642 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CC[C@@H](C#N)C1 442870433 CVQRMDXHNZWPJQ-BXUZGUMPSA-N 282.309 3.796 30 20 CHED CC(C)(C#N)CCCCN1CCc2c1cccc2[N+](=O)[O-] 444665486 UFRWXJKGVGGANL-UHFFFAOYSA-N 287.363 3.677 30 20 CHED N#Cc1cccc(C#N)c1NC[C@@H]1CCCCC1(F)F 450587618 UIWPBFOPZTWCIO-ZDUSSCGKSA-N 275.302 3.667 30 20 CHED Cc1ccccc1-c1nnc(SCC2(C#N)CCC2)n1C 450687952 PSCWVIOAWCDLAZ-UHFFFAOYSA-N 298.415 3.577 30 20 CHED C=CCC(C)(C)CN[C@@H](C)CCCc1cccnc1 453249712 YSCWAVFLABHGNW-HNNXBMFYSA-N 260.425 3.985 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OC(F)F)cc1 454220804 UNRUVWKVGQGQKH-UHFFFAOYSA-N 284.306 3.622 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 454999521 ODYSDUIOBUYVIP-CTYIDZIISA-N 290.382 3.583 30 20 CHED CC(C)[C@]1(C)C[C@@H]1NC(=O)C[C@H](CC#N)c1ccccc1 458115232 IADRNVHJQDPHBD-BQFCYCMXSA-N 284.403 3.625 30 20 CHED C=CCC1(NC(=O)NCc2scnc2C)CCCCC1 458306283 PEKSOUWRYFQODN-UHFFFAOYSA-N 293.436 3.530 30 20 CHED CC1(C)[C@@H](CN[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccccc1 459707469 JHHLELGIOGYVKT-ORQFMDKSSA-N 268.404 3.708 30 20 CHED C=CC[C@H](CC)NCc1ncc(C(C)(C)C)s1 466405652 PTUQITMALOZPQB-NSHDSACASA-N 252.427 3.885 30 20 CHED CC(C)Oc1ccc(CNCCc2cccc(C#N)c2)cc1 466412552 RZFQXPOQCGRXMP-UHFFFAOYSA-N 294.398 3.678 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](CC)OC1CCCCC1 466526001 ANFBXFZVPQDMAS-UKRRQHHQSA-N 267.413 3.585 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 467412646 JBRPCDPTLCUCAG-KGLIPLIRSA-N 298.430 3.978 30 20 CHED CCc1ccc(CN(C#N)c2ccc(F)c(C#N)c2)cc1 467767571 FUEGMWCHTHMJPR-UHFFFAOYSA-N 279.318 3.747 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1ccc(C)cc1 468002196 WNDIDWWXFNSROZ-GOSISDBHSA-N 273.420 3.991 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(COCC)cc1 468029072 XXVRULDMKCZPAG-MRXNPFEDSA-N 261.365 3.764 30 20 CHED C=CC[C@@H]1N(C(=O)COC2CCCCC2)CCCC1(C)C 470272240 FWQUKMGTZCDNOE-INIZCTEOSA-N 293.451 3.929 30 20 CHED COc1c(F)cc(F)cc1N[C@H](C#N)C1CCCCC1 471384895 QESFGYWVUSQNTI-CQSZACIVSA-N 280.318 3.858 30 20 CHED C=CCC[C@@H](O)CN(CC)[C@@H](CC)c1ccccc1 472778073 MHKUYFUNFDJSSY-SJORKVTESA-N 261.409 3.787 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)c1c(F)cccc1F 472831417 GLHFEKAEHFZTIX-NSHDSACASA-N 282.334 3.681 30 20 CHED C=CCCCCNC(=O)Nc1cc(Cl)ccc1F 473492397 OMLHBKCOMBJLQG-UHFFFAOYSA-N 270.735 3.957 30 20 CHED C=CCCCCNC(=O)N(Cc1ccccc1)CC(F)F 474081300 NPHCCOOZHHSAIM-UHFFFAOYSA-N 296.361 3.820 30 20 CHED C=CCC1(C(=O)NC[C@@H](CC(C)C)N(CC)CC)CCC1 479106329 IJFYQGJJUYWMJN-MRXNPFEDSA-N 294.483 3.606 30 20 CHED CC#CCCNC(=O)N[C@@H](C)c1oc2ccccc2c1C 479354604 CEERYCPVLMUGSE-ZDUSSCGKSA-N 284.359 3.515 30 20 CHED N#Cc1ccncc1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 481059065 XUOZVTSIBFFGFK-CTYIDZIISA-N 283.762 3.965 30 20 CHED C=CCCC1(c2nc(-c3ccc(C(=O)OC)cc3)no2)CC1 481921122 LNKIBPGSKGWLME-UHFFFAOYSA-N 298.342 3.521 30 20 CHED C[C@H](CC(=O)Nc1nc2c(cc1C#N)CCCC2)C(C)(C)C 484146582 YNQUIVKLZFWGOZ-GFCCVEGCSA-N 299.418 3.843 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)s1 486786031 FGHCWQFAHLBYCX-AWEZNQCLSA-N 288.416 3.805 30 20 CHED Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1C#N 488162106 MQSMZBJQJVLUOB-CYBMUJFWSA-N 295.342 3.626 30 20 CHED C[C@H](CN(C)Cc1ccc(F)cc1C#N)c1ccccc1 489647747 KDVCMAAQIDQPOD-CQSZACIVSA-N 282.362 3.933 30 20 CHED C[C@H]1C[C@@H](C)N(Cc2cc(C#N)ccc2Br)C1 492768424 IYZCJGSQBUVIIQ-WDEREUQCSA-N 293.208 3.551 30 20 CHED C=CCN1CC[C@H](NC(C)(C)CC2CCCCCC2)C1=O 499697416 UONDMZXYBVHVGB-INIZCTEOSA-N 292.467 3.502 30 20 CHED C=CCCCCNC(=O)c1ccc(C(C)C)nc1CC 500762715 IFZFSGJLSZUTKM-UHFFFAOYSA-N 274.408 3.854 30 20 CHED CCCc1sc(C(=O)N(CC)C[C@H](C)C#N)cc1CC 500810743 WRJGJUPPDHTLPH-GFCCVEGCSA-N 292.448 3.885 30 20 CHED C=C(C)CN(CC)Cc1cc(OC)ccc1OC(F)F 505872459 NNIUPXIHWLKTNH-UHFFFAOYSA-N 285.334 3.695 30 20 CHED C=CC[C@H](CC)NC(=O)NCC1(c2ccccc2C)CC1 507464688 YCILXISLKVCQAB-HNNXBMFYSA-N 286.419 3.681 30 20 CHED C=CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)CCC 508485812 AEQSAFQAURFPHJ-INIZCTEOSA-N 298.434 3.852 30 20 CHED C=CCn1c(-c2sccc2C)nnc1N(C)CC(C)C 508788032 AVOIDVRITSPEEC-UHFFFAOYSA-N 290.436 3.593 30 20 CHED Cc1cc(CN(C)CCOc2cccc(C#N)c2)ccc1F 513489746 JSLVHQOOWIABRC-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C[C@](C#N)(NC(=O)CCC1CCCC1)C1CCCCC1 519457051 CVAQUJMLOXUIRT-QGZVFWFLSA-N 276.424 3.936 30 20 CHED CC1CCC(CC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)CC1 522645148 BTOKNAPVMIZBQS-INTUILBWSA-N 276.424 3.791 30 20 CHED Cc1cc(C)cc(CCNc2ccc(C#N)cc2)c1 525356474 DXFUDFGJXCOVIN-UHFFFAOYSA-N 250.345 3.830 30 20 CHED C=CCN(CC#CC)Cc1cc(Br)ccc1F 525633121 LKWMJZOKZDNLHV-UHFFFAOYSA-N 296.183 3.600 30 20 CHED CC1(C)CC(CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 527003744 QUDXDTMJWSERLK-MRXNPFEDSA-N 284.403 3.626 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)NCC1CCC(C#N)CC1 529276392 YMUOSAXVHCOLDL-KLAILNCOSA-N 298.430 3.620 30 20 CHED Cc1cc(C#N)ccc1OCc1ccc(F)cc1F 531009500 LOZFDVAWBCDBAZ-UHFFFAOYSA-N 259.255 3.724 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@@H]1CC12CCCCC2 532190519 XHBTVONNQUCJEF-ZDUSSCGKSA-N 272.323 3.606 30 20 CHED Cc1ccsc1CCNc1ccc(F)cc1C#N 536894164 QAVVYTBQERMRAE-UHFFFAOYSA-N 260.337 3.722 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 536894336 UFYOVUIEMUZDKL-JKSUJKDBSA-N 294.329 3.748 30 20 CHED C=CCN(C(=O)NC(CC(C)C)CC(C)C)C1CC1 537910763 XPDCQVHFHJOCDZ-UHFFFAOYSA-N 266.429 3.807 30 20 CHED N#Cc1ccc(CNCCc2ccc(F)cc2Cl)s1 538403442 FHLUUEYHAFBHHU-UHFFFAOYSA-N 294.782 3.745 30 20 CHED CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CCOCC1 539610074 OOHDPAVBOFGPPJ-YVEFUNNKSA-N 290.382 3.553 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCC1CCC(OC)CC1 543467119 AEHQQMAKKLERGV-QQFBHYJXSA-N 296.455 3.626 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1NC1(c2cccc(C#N)c2)CC1 551557288 BXBBWVQDTISOJR-CZUORRHYSA-N 268.404 3.962 30 20 CHED CC#CCN(C)C(=O)c1ccccc1N(C)c1ccccc1 564061802 CFPRDKBUMYLTIU-UHFFFAOYSA-N 292.382 3.550 30 20 CHED C[C@@H](C#N)CN(C(=O)Nc1ccc2ccoc2c1)C1CC1 572705602 BRQPYCLWLNICCA-NSHDSACASA-N 283.331 3.589 30 20 CHED C=CCCCCN1CCC2(CC1)OCCc1ccsc12 573912311 ZOHQUMROOVGHTM-UHFFFAOYSA-N 291.460 3.968 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1CC2(CCC2)C1 573922993 LZYMPVXMXMBQQC-UHFFFAOYSA-N 287.378 3.921 30 20 CHED C[C@H](Cc1ccsc1)NC(=O)Nc1cccc(CC#N)c1 577344928 DHGYYNSZXPIUII-GFCCVEGCSA-N 299.399 3.567 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccc(C#N)cc31)CO2 579043961 ZWXHUWQBVNKLBJ-ROUUACIJSA-N 290.366 3.577 30 20 CHED N#Cc1ncccc1N1CCC(Cc2ccccc2F)CC1 579539538 OJDALIATWPUKIF-UHFFFAOYSA-N 295.361 3.551 30 20 CHED Cc1csc(NC(=O)N2CCCC[C@@H](C)C2)c1C#N 580960126 FBEUGWDLLHILEI-SNVBAGLBSA-N 277.393 3.582 30 20 CHED Cc1cc(NC[C@H](C)Sc2ccccc2)cc(C#N)n1 581078644 ZBOBFTIHUAXBCX-ZDUSSCGKSA-N 283.400 3.854 30 20 CHED C=CCC1(c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)CCC1 581849898 NZYMEDAWMMTNMJ-UHFFFAOYSA-N 299.330 3.951 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 583541840 TWACDRZHOYLBID-YOEHRIQHSA-N 286.419 3.797 30 20 CHED C[C@@H]1CN(C(=O)CCCCCC#N)c2ccccc21 588151696 JWEYJSXCISHRJV-CYBMUJFWSA-N 256.349 3.611 30 20 CHED Cc1ccc2c(c1)N(C(=O)CCCCCC#N)C[C@@H](C)O2 588937669 KLHDZCOMISONIU-CQSZACIVSA-N 286.375 3.583 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@@H](C2CC2)C1 588978058 PVUZDBVIAVIBFQ-CYBMUJFWSA-N 274.795 3.834 30 20 CHED Cc1nc2ccccc2cc1OCc1cccc(C#N)c1 589272473 DHNDGOCPFYHCML-UHFFFAOYSA-N 274.323 3.994 30 20 CHED Cc1ccc2sc(C(=O)N[C@@](C)(C#N)C(C)C)cc2c1 589273004 VVWPHJKNCCIDQO-INIZCTEOSA-N 286.400 3.878 30 20 CHED N#CCCCCCc1nc(-c2ccc3c(c2)CCC3)no1 589375176 IZBVRTRYWWNHRW-UHFFFAOYSA-N 281.359 3.852 30 20 CHED COc1cccc2c1CCCCN2Cc1cc(C#N)cs1 589820497 SQQBUJTYULWVFO-UHFFFAOYSA-N 298.411 3.971 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1Cl)C(C)C 593471965 LDCMINDFLMLXET-RISCZKNCSA-N 278.783 3.703 30 20 CHED N#Cc1csc(CN[C@@H]2CC[C@@H]2c2ccccc2)c1 594993263 CTDLWVFRZYEGNN-HZPDHXFCSA-N 268.385 3.656 30 20 CHED C=CCC1(NC(=O)Nc2cccc(C#N)c2)CCCC1 596478581 HJHFMJQPBBEJAV-UHFFFAOYSA-N 269.348 3.569 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)NCC(C)(C)CCC#N)cc1C 597660258 JOJPHHIIBDVJLB-DLBZAZTESA-N 298.430 3.853 30 20 CHED C=CCCSCCNC(=O)c1cc2ccc(C)cc2[nH]1 597971642 WGUUQQUQFCHEPX-UHFFFAOYSA-N 288.416 3.515 30 20 CHED C=CC1CCN(Cc2nc(-c3ccc(CC)cc3)no2)CC1 600681214 AMJSSIOYORPBHG-UHFFFAOYSA-N 297.402 3.697 30 20 CHED Cc1cccc(NC2CCN(C[C@H](C)CCC#N)CC2)c1 602471209 KGJNJUPQXBILHF-MRXNPFEDSA-N 285.435 3.811 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc(Cl)cc(Cl)c1 608824355 XBLLEJRITCTWBT-GFCCVEGCSA-N 285.174 3.661 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CCc3ccc(F)cc31)CCC2 609288207 HJAZOQYYACYFKZ-QGZVFWFLSA-N 293.345 3.680 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C)C(=O)OC(C)(C)C 610013205 ZWDUOLGMLLRQFG-CYBMUJFWSA-N 293.382 3.544 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 610239125 BIJMCLUJASBSEF-YGRLFVJLSA-N 298.308 3.617 30 20 CHED COCc1ccc(Sc2ncc(C#N)cc2Cl)cc1 610469616 MHLZTEMMFQYAOJ-UHFFFAOYSA-N 290.775 3.904 30 20 CHED N#CCCCCNC(=O)N1CCC[C@H]1/C=C\c1ccccc1 611544012 IZPZNGKFMYWTKH-CPFIRTDXSA-N 297.402 3.568 30 20 CHED CC[C@H](C)CCCCC(=O)Nc1ccc(C#N)c(C#N)c1 612043770 FENZGGFHWFLFCX-ZDUSSCGKSA-N 283.375 3.975 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2ccc3ccccc3c2)C1 612246493 ZALHOHNUJFGOTR-GOSISDBHSA-N 278.355 3.606 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)CC2 613254382 ISIAEJXGKYHYHT-FRFSOERESA-N 254.377 3.654 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](Cc2ccccc2)C1 614400849 JHCRQJLXGHZGKU-IBGZPJMESA-N 290.410 3.931 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2nc(C3CCC3)no2)cc1 615131867 UUCLGAQQEASXNQ-OAHLLOKOSA-N 294.358 3.550 30 20 CHED CC(C)(C#N)CN[C@@H]1CC[C@@](C)(c2ccccc2)C1 615136334 JFGCXRWMNSWJSA-NVXWUHKLSA-N 256.393 3.636 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 617782231 AFMVPVLCEIIWMU-MOXGXCLJSA-N 295.426 3.705 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CC2)C1 617784182 ONTMVOGBDJCAON-CQSZACIVSA-N 287.378 3.672 30 20 CHED CC(C)CC[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618807169 SWBJDPYEZMNKRU-CXAGYDPISA-N 256.393 3.960 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2c[nH]c3cc(Cl)ccc23)C1 619672686 RWKRIHUOBKIQLE-SMDDNHRTSA-N 287.794 3.646 30 20 CHED Cc1ccc2oc(CNc3ccc(C#N)nc3)cc2c1 619735420 BFDAUIUAJYZAMS-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1CCCC(F)(F)C1 620857391 ZJSPUWQAAFAQRX-NSHDSACASA-N 259.340 3.673 30 20 CHED C=CCC1(C(=O)N2CC(C)(c3ccccc3)C2)CCCC1 622208137 HNXDNXHLVKIUJZ-UHFFFAOYSA-N 283.415 3.923 30 20 CHED C=CCOc1cccc(CNCCCOC(C)(C)C)c1 657637771 NMFZIFCYNWJIMX-UHFFFAOYSA-N 277.408 3.546 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCCSC1 658016302 WMLCPXMHPVELBM-KFWWJZLASA-N 253.455 3.854 30 20 CHED C=CCCOCC(=O)N1CCCc2c(Cl)ccc(C)c21 662087206 RPYUVDVVEONFPB-UHFFFAOYSA-N 293.794 3.520 30 20 CHED C=CCCCCNC(=O)[C@H](C)Cc1ccc(OCC)cc1 665433174 WAKXDFVWQFFSDA-OAHLLOKOSA-N 289.419 3.736 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC)Cc1ccc(F)cc1 665498447 DROMVLJYSWDMIV-INIZCTEOSA-N 292.398 3.754 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCc2cc(OC)ccc2C1 680333419 AFJGTBIWLMIFMO-VBQJREDUSA-N 273.420 3.743 30 20 CHED C#CCCCCC(=O)N(CC(C)C)c1ccccc1 692857537 CQCMKFIVZBUHSO-UHFFFAOYSA-N 257.377 3.869 30 20 CHED C(/C=C\c1ccccc1)=NNc1cnc2ccccc2n1 727255765 FLXWXGNOISNBGH-KSLDUGBISA-N 274.327 3.741 30 20 CHED CCC(=NNc1cnc2ccccc2n1)c1ccc(F)cc1 727258378 GZQZIOSIYAJDHV-UHFFFAOYSA-N 294.333 3.995 30 20 CHED Cc1cc(C=NNCCCc2ccccc2)c(C)n1C1CC1 729145781 DJYGDCQLBPCLGX-UHFFFAOYSA-N 295.430 3.996 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C/c1ccsc1 729433347 PLDBPOCYRVPLLW-VOTSOKGWSA-N 290.432 3.940 30 20 CHED CCC(=NNc1ccc(C)nn1)c1cccc(Cl)c1 729935957 YZFIIRJJOWSAHN-UHFFFAOYSA-N 274.755 3.665 30 20 CHED N#Cc1ccc(OCCCSc2ccc(C#N)cc2)cc1 731939807 VNWPIMMLYZHRQI-UHFFFAOYSA-N 294.379 3.991 30 20 CHED CCc1cccc(NC(=O)Nc2cccc(OCC#N)c2)c1 733621576 FUBJGYNTUYGQFG-UHFFFAOYSA-N 295.342 3.795 30 20 CHED C=CCCC(CC)=NNc1cnnc2ccccc12 733749848 BPZMMCUDLIWLQE-UHFFFAOYSA-N 254.337 3.774 30 20 CHED CCC(CC)NN=Cc1ccc(F)c(Br)c1 734364967 NNGZJODJJVNAQM-UHFFFAOYSA-N 287.176 3.700 30 20 CHED C#Cc1cccc(NC(=S)NCCc2ccc(C)cc2)c1 734763049 NHQOUSPOKIYHCE-UHFFFAOYSA-N 294.423 3.505 30 20 CHED Cc1ccc(NN=C2CCC[C@@H]2Cc2ccccc2)nn1 735616058 VMRVMQABNPMMNJ-OAHLLOKOSA-N 280.375 3.596 30 20 CHED C=C(Cl)CNC(=S)Nc1cccc(C(C)C)c1 735981314 FRFAIVZJKSDMCC-UHFFFAOYSA-N 268.813 3.849 30 20 CHED COc1ccc(CCNN=Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 737440187 XPKKQVKKEVIYNJ-GUYCJALGSA-N 298.386 3.578 30 20 CHED C[C@@H](C#N)OC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 738740313 FQTZVYGVSSPLTO-ZJUUUORDSA-N 285.265 3.654 30 20 CHED C#CCOc1ccc(NC(=O)[C@H](C)c2cccc(C)c2)cc1 739562236 APBOBGZKXLYNTJ-OAHLLOKOSA-N 293.366 3.749 30 20 CHED C=CCCCON=Cc1ccc(OCCC)c(OC)c1 740872719 MBHFFYJQRWSPPU-UHFFFAOYSA-N 277.364 3.801 30 20 CHED Cc1ccccc1OCCCON=Cc1cccs1 742575818 NYJIVKGBQCZYLN-UHFFFAOYSA-N 275.373 3.876 30 20 CHED CCO[C@H]1CC(=NNc2ccc(C#N)cc2)C12CCCC2 743438867 XCKYPNXLWUYNJT-INIZCTEOSA-N 283.375 3.695 30 20 CHED N#CCCCCOC(=O)[C@H]1C[C@]12CCCc1ccccc12 744139027 HCQBKUIDMLOLEI-AEFFLSMTSA-N 283.371 3.518 30 20 CHED N#CCSc1ncc(-c2ccccc2)n1CC(F)(F)F 748032001 YSXHUTPKEHNRTJ-UHFFFAOYSA-N 297.305 3.728 30 20 CHED COc1ccc(NN=Cc2cccc3cccnc23)cc1 750923238 GLPSXPPHMNDZSJ-UHFFFAOYSA-N 277.327 3.689 30 20 CHED Fc1ccc(NN=Cc2cnn(-c3ccccc3)c2)c(F)c1 751337384 SGCJJGOSLPIDQV-UHFFFAOYSA-N 298.296 3.597 30 20 CHED C[C@H]1CCC(=NNc2nccnc2Cl)c2ccccc21 752734397 PSNNRYRBEPMHAZ-JTQLQIEISA-N 286.766 3.844 30 20 CHED C#C[C@H](CC)NC(=O)c1cccc(Nc2ccccc2)c1 754357188 FTTAGMUERQXQOB-OAHLLOKOSA-N 278.355 3.572 30 20 CHED C#C[C@@H](CC)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 754389752 DVMJGYNDNJZNEN-ONGXEEELSA-N 284.186 3.625 30 20 CHED COCC(C)(C)C=NNc1ccnc2cc(Cl)ccc12 754896144 YYZXACRHGCLVMP-UHFFFAOYSA-N 291.782 3.959 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCC1CCC1 755032582 YBIMOIFAWDVFQU-GZTJUZNOSA-N 254.333 3.550 30 20 CHED COc1ccc(NN=Cc2ccc(F)c(Cl)c2)cc1 755802340 UXXDLOQVZCAEPE-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cc(C)ccc1OC(F)F 755821037 AIIOYFZGMXWQHX-CQSZACIVSA-N 299.317 3.864 30 20 CHED N#Cc1cc(F)c(C(=O)OC/C=C/c2ccccc2)c(F)c1 756225266 JIBOBNHKJQHJKT-QPJJXVBHSA-N 299.276 3.707 30 20 CHED COc1cc(C(C)=NNc2cc(F)cc(F)c2)ccc1O 757462215 ZFWNVMWTWSXFMQ-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1cc2ccccc2o1 759008681 VLQFVODTWUOIEC-UHFFFAOYSA-N 298.338 3.927 30 20 CHED COc1cccc2c1C/C(=C/c1cccc(F)c1F)C2=O 759665896 RRYNLGGAODJAPQ-FLIBITNWSA-N 286.277 3.796 30 20 CHED CO[C@@H](C)C(C)=NNc1nc(Cl)c(Cl)cc1Cl 763139377 FQJZJVDFODNZTR-LURJTMIESA-N 296.585 3.865 30 20 CHED FC(F)(F)CON=C1CCc2cc(Cl)ccc21 764835333 KMUUCMZBZDNQPY-UHFFFAOYSA-N 263.646 3.569 30 20 CHED Fc1cccc2c1CCC2=NNc1ncnc2ccsc12 764841629 SHAPEAIOLKPNKI-UHFFFAOYSA-N 298.346 3.593 30 20 CHED C=CCCS(=O)(=O)N[C@@H](CCCCC)c1ccccc1 765180371 JSJUKAWQLMAEIO-INIZCTEOSA-N 295.448 3.804 30 20 CHED COc1ccc2nc(NN=C[C@H](C)CCC#N)c(C)cc2c1 766029647 MUGKVBRUVFWFCS-GFCCVEGCSA-N 296.374 3.889 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 767122937 WIMPSEDZAGUCKM-UHFFFAOYSA-N 266.344 3.670 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)CCCCCCC 767156344 OCGVSLSRRDTWFY-UHFFFAOYSA-N 277.330 3.761 30 20 CHED O=C(/C=C\c1cncs1)c1ccc2cc(O)ccc2c1 767727948 DAUYMRKVCKAZCV-WAYWQWQTSA-N 281.336 3.898 30 20 CHED N#C[C@H](C(=O)[C@@H](F)c1ccccc1)c1nc2ccccc2o1 769290250 CFIWHLVNBUXEFE-DOMZBBRYSA-N 294.285 3.715 30 20 CHED N#CCCCn1cc(C(=O)OCC2CCC2)c2ccccc21 769546619 OLKLTQFGYLJIGT-UHFFFAOYSA-N 296.370 3.902 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H](C)c2ccc[nH]2)CCCC1(C)C 770768195 REOSHMYUTKKVJD-ZFWWWQNUSA-N 289.423 3.852 30 20 CHED COc1cc(Cl)ccc1NC(=O)c1cc(C#N)cs1 772896974 JCRPQAWNGBHKSE-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC(C)c1nccnc1NN=C[C@H]1CCc2ccccc21 773077009 CCBPATRJWUFQHV-CQSZACIVSA-N 280.375 3.728 30 20 CHED CCc1ccc(/C=C2\C(=O)Nc3cc(C#N)ccc32)s1 773158643 CNVKOUMZBUUJNU-ZSOIEALJSA-N 280.352 3.675 30 20 CHED COCc1cccc(/C=C2\Oc3cc(F)ccc3C2=O)c1 773172819 PAHIYTYNAIAWCK-PXNMLYILSA-N 284.286 3.588 30 20 CHED C=C(CC)CN1CCC[C@@H]1C[C@@H](O)c1cccs1 773424751 OASHNCDIZSLHRP-ZIAGYGMSSA-N 265.422 3.602 30 20 CHED O=[N+]([O-])c1cc(C=NOC2CCCC2)ccc1Cl 774597203 PPFPVTPTDGQWKP-UHFFFAOYSA-N 268.700 3.541 30 20 CHED C[C@@H](C(=O)OCc1cccc(C#N)c1F)C1CCCC1 774967347 MLRMTJVRAKQYDS-LLVKDONJSA-N 275.323 3.567 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CNCc1ccc(C#N)cc1 775306506 MGKQACDCUPNHIJ-RHSMWYFYSA-N 254.377 3.640 30 20 CHED CC[C@](C)(NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 775394738 MUKSMZHRKQMRLN-OALUTQOASA-N 294.398 3.507 30 20 CHED C#CC[C@@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 775789529 RMJZRYMWNUISSA-OAHLLOKOSA-N 299.757 3.540 30 20 CHED N#CC1(COC(=O)c2ccccc2Oc2ccccc2)CC1 775842924 OPTRTLOUKIUOKD-UHFFFAOYSA-N 293.322 3.939 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1CCSc2ccccc21 776390061 TVULJONTJYHSPL-CYBMUJFWSA-N 289.400 3.749 30 20 CHED Cc1cc(C#N)ccc1Cn1ccc(-c2ccsc2)n1 776745432 FUCJOHIQKJWLKT-UHFFFAOYSA-N 279.368 3.840 30 20 CHED CCCCCC1=CCCC1=NNc1cc(Cl)nc(N)n1 778549823 FEINQKQFVIEZMR-UHFFFAOYSA-N 293.802 3.781 30 20 CHED C[C@H]1CC[C@@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)C1 780225582 LXNPUEMCEHOGFE-GXSJLCMTSA-N 293.823 3.687 30 20 CHED C#CCCCCCC(=O)Nc1ccc(N(C)C)c(Cl)c1 780392240 IZXFPLNXNRHHDR-UHFFFAOYSA-N 292.810 3.928 30 20 CHED C[C@H]1CCCC(=NNc2nc3ccccc3[nH]2)[C@H]1C 781116663 FXZMJXXKYWPQJC-QWRGUYRKSA-N 256.353 3.787 30 20 CHED CC(C)(C#N)CC(=O)Oc1ccc(Oc2ccccn2)cc1 782178030 ZPABXJRWKYSUGN-UHFFFAOYSA-N 296.326 3.719 30 20 CHED N#Cc1ccc(-n2ccc(NC/C=C/Cl)n2)c(Cl)c1 782219413 KOQAKMYGWSKUDR-ORCRQEGFSA-N 293.157 3.562 30 20 CHED C[C@H](Cc1ccccc1F)NCc1cc(C#N)ccc1F 783253468 HMDVOFBMOMSKNN-GFCCVEGCSA-N 286.325 3.557 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](F)C(C)C 784111874 JQXDKMZNWOUXSP-AWEZNQCLSA-N 255.377 3.575 30 20 CHED N#CCC1(OC(=O)c2ccc3c(c2)CCCC3)CCC1 788145835 XZTIWCWZUHSZHP-UHFFFAOYSA-N 269.344 3.559 30 20 CHED COc1cc(NN=C2C[C@](C)(OC)C2(C)C)ccc1Cl 788471744 GVTCLGUCCCFLAR-HNNXBMFYSA-N 296.798 3.952 30 20 CHED CCCCCCCCC[S@@](=O)Cc1nnc(C)s1 790137900 IKEFOUWEFZQWRG-GOSISDBHSA-N 288.482 3.846 30 20 CHED Cc1cccnc1NN=C[C@@H]1CCc2ccccc21 790188364 YANNXLRUWAMAOK-AWEZNQCLSA-N 251.333 3.518 30 20 CHED CO[C@H](C)C(C)=NNc1cc(Cl)cc(Cl)c1 790202727 XEYBYXPDWIFAHE-MRVPVSSYSA-N 261.152 3.816 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(Cl)cc1Cl 790604668 WSYUKGBRBOUCHN-SNVBAGLBSA-N 285.174 3.917 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@H](C)c1ccc(CC)cc1 791200757 ACCHAIHVICTPGY-YOEHRIQHSA-N 271.404 3.661 30 20 CHED CC1(CNN=Cc2cc3ccccc3[nH]2)CCCC1 793082357 WRYKPPWRDGXHEV-UHFFFAOYSA-N 255.365 3.672 30 20 CHED COC(=O)c1cc(NN=C2CCC23CCC3)ccc1C 793098980 XWDOSMOPMIUULO-UHFFFAOYSA-N 272.348 3.514 30 20 CHED C=CCN(C(=O)c1cc(C)c(Cl)cc1C)C(C)C 793417806 MFBYXTOEXKKOBC-UHFFFAOYSA-N 265.784 3.993 30 20 CHED Cc1cc(N=Cc2ccc(O)c(O)c2O)c(Cl)cc1F 794675776 GBVDMQIZFRNTMT-UHFFFAOYSA-N 295.697 3.655 30 20 CHED COc1cc(C=NOCc2ccc(C)cc2)cc(OC)c1 794725587 IDNWPGQKLPSYFK-UHFFFAOYSA-N 285.343 3.563 30 20 CHED C[C@H](CC=NNc1ncccc1F)c1ccccc1 794980203 HEMYYBCRJCWATJ-GFCCVEGCSA-N 257.312 3.812 30 20 CHED Fc1ccc(CC=NNc2cccc(F)n2)c(Cl)c1 795007252 WJGBSRLNYRZZLU-UHFFFAOYSA-N 281.693 3.654 30 20 CHED CC[C@@H](C)COC(=O)C[C@@H](CC#N)c1ccccc1 795979977 AIUAQIQNTJIVIP-UKRRQHHQSA-N 259.349 3.663 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1cccc(Cl)c1 796141364 KGGXZYYAAXIYTC-VIFPVBQESA-N 275.691 3.723 30 20 CHED N#CC1(COC(=O)CCSCc2ccccc2)CCC1 796850219 LLIWFMPLJYKCEP-UHFFFAOYSA-N 289.400 3.547 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C1\CC[C@@H](C)C1 797169797 BCIVNBSFKFBXEJ-GMCKNXKJSA-N 283.375 3.675 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C\c1nc2ccccc2s1 798551099 LWTLHXQORRAHOX-NLYDNYMLSA-N 286.400 3.780 30 20 CHED COc1ccccc1CON=C(C)c1ccccc1OC 799117964 QLRTUFRBNWKJJR-UHFFFAOYSA-N 285.343 3.645 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2ccc(F)cc2)cc1C#N 799547808 YKAVAHGOSKFJIZ-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CSC1(C=NNc2ccc(C(F)(F)F)cn2)CCC1 800804612 FEJRJKHDSHQPOL-UHFFFAOYSA-N 289.326 3.784 30 20 CHED Cc1c(COC(C)(C)C)cccc1NCCO[C@@H](C)C#N 802744362 WFYXCIIJIWXXIY-ZDUSSCGKSA-N 290.407 3.651 30 20 CHED C=CCCCCCCNC(=O)CC[C@@H]1CC[C@@H](C)O1 805219589 QHFUTSPPFVKLDY-CABCVRRESA-N 267.413 3.587 30 20 CHED CC#CCCCC(=O)OCCc1ccccc1Cl 805529808 IZVKTAYPYOJDIY-UHFFFAOYSA-N 264.752 3.619 30 20 CHED N#CCCCCCC(=O)OCc1c(F)cccc1Cl 805696515 IFSZPLPFLZFESJ-UHFFFAOYSA-N 283.730 3.996 30 20 CHED C=CCc1cc(CN[C@@H]2CC[C@H]2CC)cc(OC)c1OC 806145985 PYBKMQMIVSCLBL-GDBMZVCRSA-N 289.419 3.711 30 20 CHED C=CCCCCCCNC(=O)Nc1cnc(C2CC2)nc1 806256397 KSTCYCCIEZWJGD-UHFFFAOYSA-N 288.395 3.612 30 20 CHED C=C(CNC(=O)c1c[nH]c2cccc(F)c12)c1ccccc1 807799730 QCNZDOUUJAKRCX-UHFFFAOYSA-N 294.329 3.750 30 20 CHED CC(=NN[C@H]1CCSC1)c1cc2cc(Cl)ccc2o1 807999136 GFBDNOLZMHRWSL-LBPRGKRZSA-N 294.807 3.905 30 20 CHED C#Cc1ccc(CNCc2ccc(Cl)cc2F)cc1 809645344 UREZBUAWMZLLNO-UHFFFAOYSA-N 273.738 3.750 30 20 CHED C#C[C@@H](NCc1cn(C)nc1C1CCCCC1)C(C)(C)C 809781212 JJUORFVROUAJIK-MRXNPFEDSA-N 287.451 3.605 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccnc(Cl)c2Cl)C1 811488658 HIPXTVCPXJEYQQ-CYBMUJFWSA-N 284.190 3.514 30 20 CHED C#C[C@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 811949125 PZIGOLZTPUNUSY-HNNXBMFYSA-N 288.778 3.605 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](c1ccccc1Cl)C(C)C 812046534 LCSOPYKIJQHHKL-IUODEOHRSA-N 292.810 3.700 30 20 CHED C=CCCCCCCCNC(=O)/C=C\c1cncc(F)c1 813257254 VUGNQLXIVVOVOB-KTKRTIGZSA-N 290.382 3.877 30 20 CHED Cc1sc2ncnc(NN=C3CC(C)(C)C3)c2c1C 814726358 RWPWHQKXOOWJAX-UHFFFAOYSA-N 274.393 3.896 30 20 CHED CCC(=NOCc1ccccc1)c1ccc(F)cn1 814791061 ABYRGCDXFFTMFJ-UHFFFAOYSA-N 258.296 3.552 30 20 CHED CCCNN=C(C)c1sc(Cc2ccccc2)nc1C 814804220 FLEWEBCORQGHBG-UHFFFAOYSA-N 287.432 3.766 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1cccc(F)c1 814815414 XBOBLWHLLHQGKC-CYBMUJFWSA-N 259.328 3.943 30 20 CHED CC[C@@H](C)NN=C1CCC(c2ccc(O)cc2)CC1 814912963 DOKQPPZPBZVIGX-PZORYLMUSA-N 260.381 3.794 30 20 CHED CC(CCCCN(C)C)=NNc1ccc(F)c(F)c1F 814945878 VBQNOMLAUMIKIR-UHFFFAOYSA-N 287.329 3.624 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1csc(C)c1 819818583 NVNGPJCXYDKUNC-NSHDSACASA-N 259.378 3.526 30 20 CHED C#C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1C(C)C)c1ccccc1 820591309 PPYIWKZKCIIBJM-IRXDYDNUSA-N 296.414 3.581 30 20 CHED CC(C)C#CC(=O)N[C@@H](c1ccccc1)C(C)(C)C 822654094 DFCYYCJCYLKXNA-INIZCTEOSA-N 257.377 3.549 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCCc2nc(C)ncc21 823855159 ICOKCNZSNGESCT-XJKSGUPXSA-N 273.424 3.887 30 20 CHED N#Cc1cc(Cl)c(C(=O)NCCC2CCC2)c(Cl)c1 834313242 FOCIHIGSHGUEQH-UHFFFAOYSA-N 297.185 3.785 30 20 CHED C#Cc1cccc(CN[C@H](CC)c2ccc(OC)cc2)c1 834904194 WCZWKXAAMPWVJH-LJQANCHMSA-N 279.383 3.917 30 20 CHED C[C@@H](NN=Cc1c(Cl)cccc1Cl)C(F)(F)F 834995320 AVOQRNNJVIPCHY-ZCFIWIBFSA-N 285.096 3.868 30 20 CHED CC(=NOC(C)C)c1ccc(O)c(CN2CCCCC2)c1 835004390 NLFAYQNTCCGHNH-UHFFFAOYSA-N 290.407 3.527 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCc1ccc(CC#N)cc1 835273007 DQUKQSNUYJFMEF-ZDUSSCGKSA-N 299.292 3.774 30 20 CHED CSCC[C@H](C)OC(=O)C[C@@H](CC#N)c1ccccc1 835815152 ZHLBHEADYKBYNN-DZGCQCFKSA-N 291.416 3.759 30 20 CHED O=C(C#CC1CC1)NC1(c2cccc(Cl)c2)CCCC1 837476606 OIBKHGWDZPMMDX-UHFFFAOYSA-N 287.790 3.639 30 20 CHED C=CCCCCOC(=O)c1cc(C#N)ccc1Cl 837721766 KDDKQIDNGGNVQV-UHFFFAOYSA-N 263.724 3.725 30 20 CHED CC(C)(CO)CNN=C1CC[C@@H](c2cccc(Cl)c2)C1 841636037 JRTDDTFXRVKHSK-CYBMUJFWSA-N 294.826 3.572 30 20 CHED CC[C@@H](CSCc1cc(Cl)ccc1OCC#N)OC 842174162 BYNBEMAUHUWDRJ-ZDUSSCGKSA-N 299.823 3.901 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C/C1CCCC1 843534274 YZSQVXBICPUKIL-JLHYYAGUSA-N 299.414 3.956 30 20 CHED CC(C)=C(C)C(=O)N(CC#N)c1ccc(Cl)cc1 843611225 YMJXEDDPQZQNAR-UHFFFAOYSA-N 262.740 3.553 30 20 CHED C=C[C@@H](C)ONC(=O)N(Cc1ccccc1)[C@@H](C)CC 845632073 WJKQJIOTURUYIA-UONOGXRCSA-N 276.380 3.503 30 20 CHED O=C1/C(=C\c2ccnn2CC2CC2)CCc2ccc(F)cc21 849250807 XILADTZWUJCXCY-ZROIWOOFSA-N 296.345 3.645 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1ccc(CC#N)cc1 849846221 KTBUCYUVZGUOLV-INIZCTEOSA-N 277.339 3.714 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C2CC3(CC3)C2)n1 850874354 ZEOVTEQZWUIXAS-NSHDSACASA-N 274.389 3.633 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1 852344756 XACBCSIGEONBLI-HUUCEWRRSA-N 264.413 3.564 30 20 CHED CC1(C)C[C@H](NN=C2CCC(=C3CCC3)CC2)CCO1 853335952 LAROCFQUHBKRIX-MRXNPFEDSA-N 276.424 3.944 30 20 CHED CN(CCC#N)c1ccc(CN[C@H]2CC23CCCCC3)cc1 858191517 VXCZSOLWGUHPKS-SFHVURJKSA-N 297.446 3.849 30 20 CHED C#C[C@@H](OC(=O)c1csc(C2CC2)n1)c1ccc(C)cc1 860963984 HKKZJZTUJROULU-OAHLLOKOSA-N 297.379 3.860 30 20 CHED CC(=NNc1nc2ccccc2[nH]c1=S)C(C)C 863128375 MABJCVHQUYSTBG-UHFFFAOYSA-N 260.366 3.736 30 20 CHED Cc1cccc2sc(NN=C[C@H](C)CCC#N)nc12 872419630 PGZULBCXKYYBIL-SNVBAGLBSA-N 272.377 3.942 30 20 CHED CC[C@@H]1[C@@H](C)CCN1CC[C@](C#N)(C(C)=O)c1ccccc1 878453958 PXOJKAZZYBVTNV-IPELMVKDSA-N 298.430 3.547 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F 880860370 QSYKDFPTJTZRNB-GXTWGEPZSA-N 279.330 3.539 30 20 CHED C=C1CCC(C(=O)OCCCC(F)(F)F)CC1 885649904 NOJMNZCWHVVRMU-UHFFFAOYSA-N 250.260 3.619 30 20 CHED CCCCCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 889393707 BAZYYJKYFMMTTE-UHFFFAOYSA-N 290.363 3.844 30 20 CHED C[C@@H](Nc1ccc(OC(C)(C)C)c(C#N)c1)c1cnccn1 894889594 RWSHPZORVPBWFZ-GFCCVEGCSA-N 296.374 3.699 30 20 CHED C=C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 896181793 OOBXBVHAIDMFLF-UHFFFAOYSA-N 292.791 3.742 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](c1ccncc1)C1CC1 899000453 IQLVVWMNGUZXGD-HNNXBMFYSA-N 287.407 3.577 30 20 CHED C=CCCc1ccccc1NCc1cnc(CC)o1 901413567 RQUVFZYFSZYPEX-UHFFFAOYSA-N 256.349 3.968 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1)NCC#Cc1ccccc1 901680692 ZWERQMQQOOSLTR-RAXLEYEMSA-N 295.769 3.521 30 20 CHED CC(C)Oc1cccc([C@H](NCC(C)(C)C#N)C(F)F)c1 903101203 CGRICKLTUWBERC-AWEZNQCLSA-N 296.361 3.919 30 20 CHED C=C[C@@H](CC)Cc1nc([C@@H](OCC)C(C)C)no1 904130283 LJPZGUOAMDNTQC-AAEUAGOBSA-N 252.358 3.558 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnccc1C(F)(F)F 906119519 DEUYEESSLBDJBF-VIFPVBQESA-N 272.270 3.641 30 20 CHED CCCCCCC(C)=NNc1cncc(Cl)n1 914556841 IQRZUWARFJFUHU-UHFFFAOYSA-N 254.765 3.888 30 20 CHED Cc1cc(OCC(=O)OCCCCC#N)ccc1C(C)C 914615972 BFBNRXITBHPNLQ-UHFFFAOYSA-N 289.375 3.734 30 20 CHED CC(C)(C/N=C\c1ccccc1O)c1ccccc1 914701163 BEYPKJPYHNRLKS-PDGQHHTCSA-N 253.345 3.789 30 20 CHED C[C@@H]1CCC[C@@H](/N=C\c2cc3ccccc3nc2O)C1 914702743 KRFLTBJTLWARPC-IRVOQCMOSA-N 268.360 3.938 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1cn(C)nc1C 917532863 UIOKMQUOANEIGV-UHFFFAOYSA-N 296.296 3.583 30 20 CHED C[C@H](CCc1ccccc1)/N=C\c1cccc(O)c1O 920942372 ANZFTUPPNXVGLI-FDIDITGRSA-N 269.344 3.538 30 20 CHED C=CCCOCCN[C@H](c1ccc(C)cc1)c1ccccn1 925630418 AZYCMWQONHHTBK-LJQANCHMSA-N 296.414 3.662 30 20 CHED CC(C)Cc1ncc(C(=O)Nc2ccc(CC#N)cc2)s1 929403894 NICOWROUGXKJDX-UHFFFAOYSA-N 299.399 3.660 30 20 CHED C[C@H](c1ccncc1)N1CCC(c2ccc(C#N)cc2)CC1 933612124 DSQBKNWOXWLZRT-OAHLLOKOSA-N 291.398 3.894 30 20 CHED C=C[C@H](CC)CC(=O)NCc1oc2ccccc2c1OC 935599104 BIVFGNKBQPFVJJ-GFCCVEGCSA-N 287.359 3.660 30 20 CHED COc1cc(OC)c(C(C)=NOC(C)(C)C)cc1Cl 1116404345 GGISWRWPQAQWAX-UHFFFAOYSA-N 285.771 3.896 30 20 CHED N#Cc1ccncc1NCc1cccc(C(F)F)c1 1117942375 XKJWKJJRYYYTIN-UHFFFAOYSA-N 259.259 3.503 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CC[C@@H](C)C[C@H]1C 1121655585 HUENLIXAPZEAPE-UPJWGTAASA-N 294.468 3.513 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc(CF)cc1 1122976267 DSHWOMBDLYFFPH-UHFFFAOYSA-N 263.312 3.643 30 20 CHED Cc1scc(C(=O)Nc2cc(C#N)ccc2F)c1C 1129597461 DXSZQWFOXVCOBA-UHFFFAOYSA-N 274.320 3.628 30 20 CHED CC(C)CC(C)(C)CNC(=O)Nc1ccc(C#N)c(F)c1 1219031122 YOWVNALDCYOKQK-UHFFFAOYSA-N 291.370 3.891 30 20 CHED CC[C@H](C)C[C@H](CC)NCCc1ccc(C#N)cc1 1258779234 BBQYDRBBEKMZID-YOEHRIQHSA-N 258.409 3.905 30 20 CHED CCC1(NC(=O)Nc2ccc(F)cc2C#N)CCCCC1 1310386670 XFHLKSROJCZWDB-UHFFFAOYSA-N 289.354 3.932 30 20 CHED C=C(CNC(=O)N[C@H]1CCC[C@@H](CC)C1)c1ccccc1 1312053598 YZQSHDURNQKHOV-WBVHZDCISA-N 286.419 3.968 30 20 CHED C#CCC1(C(=O)NC[C@H]2CCCC2(F)F)CCCCC1 1324525449 ZQNWBAAFWKDPHY-CYBMUJFWSA-N 283.362 3.512 30 20 CHED C=C1CCC(C(=O)N2CCC(c3ccc(O)cc3)CC2)CC1 1332021642 OMTMRZQUAJZFFM-UHFFFAOYSA-N 299.414 3.845 30 20 CHED CC(C)c1ncc(C(=O)OCc2ccc(C#N)s2)s1 1349867596 QDMVJJSXKWVSJV-UHFFFAOYSA-N 292.385 3.557 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 1353279199 YACUIEONLNEORY-LESCRADOSA-N 296.414 3.908 30 20 CHED COc1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1C 1355926876 ZBQVTCVRFAKEIJ-CYBMUJFWSA-N 295.338 3.793 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1357695999 VPYGVNVRXOYAAA-IDHHARJASA-N 296.414 3.811 30 20 CHED C=C(C)CCC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 1358127219 GPKPBEABAJDOTJ-HNNXBMFYSA-N 293.794 3.596 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1ccsc1Cl 1358493732 KHWQWQAAWWAVGL-UHFFFAOYSA-N 292.747 3.534 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CCC[C@H](C)[C@H]1C 1458515005 FIEVPEKFUJEJFT-HWWQOWPSSA-N 271.360 3.848 30 20 CHED C[C@H](NCc1cccc2ncccc12)c1cccc(C#N)c1 1473787089 ZOTVIUGGVDEPDQ-AWEZNQCLSA-N 287.366 3.957 30 20 CHED Cc1csc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 1526686816 ULWPGLGNERNFOG-NSHDSACASA-N 286.356 3.600 30 20 CHED CC1(C)CCC(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CC1 1535479012 KAZIDNVOFBLSFB-TZMCWYRMSA-N 263.381 3.828 30 20 CHED CC1(C)CC[C@@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1559186733 RUFYHCNJMSSINF-AWEZNQCLSA-N 294.358 3.741 30 20 CHED CCN(C[C@@](C)(CC)OC)[C@@H](C)c1ccc(C#N)cc1 1560684838 BGLCWWFJGOVXHP-WMLDXEAASA-N 274.408 3.756 30 20 CHED C[C@H]1CC(Nc2nc(C#N)c(Cl)s2)C[C@H](C)C1 1612011123 XTZPPSDSDVGFKU-HTQZYQBOSA-N 269.801 3.905 30 20 CHED CCC1(CNc2nnc(C)c(C)c2C#N)CCCCC1 1612224793 TXOFTZXVXFXYQH-UHFFFAOYSA-N 272.396 3.738 30 20 CHED N#Cc1c(CSCc2ccncc2)cn2ccccc12 1615016809 BCCMOXWMJYEEIJ-UHFFFAOYSA-N 279.368 3.639 30 20 CHED CC1(C)CC(CNC(=O)c2ccc(C#N)o2)CC(C)(C)C1 1616990638 RIVLQRSNNXWXLI-UHFFFAOYSA-N 288.391 3.734 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCC[C@@H]1CC 1627312512 ALRNWSWQMQWAJQ-JKSUJKDBSA-N 278.440 3.991 30 20 CHED Cc1ccc(Nc2ncc(Cl)c(C)c2C#N)cc1 1639174371 KGTBMQHLFDIEGG-UHFFFAOYSA-N 257.724 3.967 30 20 CHED Cc1cc2c(NC(=O)[C@]3(C)CCC[C@@H]3C)n[nH]c2cc1C#N 1640760893 WKTNRFGMBLFWBJ-APPDUMDISA-N 296.374 3.508 30 20 CHED Cc1cc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ncc1C#N 1642224111 XYIQXJCFDYEGDF-JKIFEVAISA-N 269.392 3.888 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@H]2CCC2CCCC2)n1 1642437438 LJMDMULCBJMISL-INIZCTEOSA-N 284.407 3.596 30 20 CHED N#Cc1cnc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(F)c1 1651017306 QLPPUJKGGLQVAY-GXTWGEPZSA-N 287.725 3.714 30 20 CHED CC[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@@H]1C 1658335840 FJJZKKMRFOVOCD-YPMHNXCESA-N 294.345 3.780 30 20 CHED CCc1cccc(C)c1NN=Cc1cc(C(=O)O)c(C)o1 1776056913 XQIFDCKHULSJQI-UHFFFAOYSA-N 286.331 3.603 30 20 CHED O=C(O)c1ccc(NN=C[C@H]2CCc3ccccc32)cc1F 1776074730 QNUKDQWOQAUJCW-GFCCVEGCSA-N 298.317 3.652 30 20 CHED C=CCN(Cc1ccc(C)cc1)Cc1cccc(C(=O)O)c1 1776179951 MUHCZQDLFJMZCG-UHFFFAOYSA-N 295.382 3.881 30 20 CHED C=CCCCC(=O)NC[C@H]1CCCc2ccccc21 175224017 OXVBVMOWHVPLTQ-OAHLLOKOSA-N 257.377 3.579 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(C#N)cs1 176925442 UUUFKQWMHLFUQD-JTQLQIEISA-N 288.347 3.592 30 20 CHED C=CC1CCN(C(=O)c2cc(CC)c(C)s2)CC1 110360813 XCDSMGVCZJLMKZ-UHFFFAOYSA-N 263.406 3.657 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccsc2)no1 109479522 UFWCXZURRIYWDO-JTQLQIEISA-N 297.339 3.810 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)nc1 107427406 FFXWRGARUQUOES-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1ccc(C#N)s1 175872673 MAQOHWSXWGAEBG-KBPBESRZSA-N 280.462 3.774 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(C#N)cc1 61109646 BRBZGMPYMANMFQ-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 171153593 DZILIHQNUUZJNR-NWDGAFQWSA-N 290.411 3.671 30 20 CHED C=CCC(CC=C)C(=O)Nc1sc2c(c1C#N)CCC2 177345371 GMTGKUALHLFEBR-UHFFFAOYSA-N 286.400 3.815 30 20 CHED C=C(Br)CN1CC[C@@H](C(F)(F)F)C1(C)C 307259978 LSAWRLZAGALBHE-MRVPVSSYSA-N 286.135 3.558 30 20 CHED CC(C)(C#N)CCN1CCC(c2c[nH]c3ncccc23)CC1 119897042 HQICZBSZWWDQHR-UHFFFAOYSA-N 296.418 3.682 30 20 CHED C[C@H](CC1CCCCC1)C(=O)NC1(C#N)CCCCC1 172168662 OMUVRIMMJMVCKA-CQSZACIVSA-N 276.424 3.936 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)CC1 174900721 AASZQCMCMNZSIM-GJZGRUSLSA-N 286.419 3.786 30 20 CHED C[C@H]1CC[C@H](NCCSCc2ccccc2C#N)C1 174248031 MYFPSPHISOGZQM-BBRMVZONSA-N 274.433 3.570 30 20 CHED CC[C@H]1CN(c2ncccc2C#N)CC[C@@H]1c1ccccc1 301425600 GXBPHFJTCOFBTH-YJBOKZPZSA-N 291.398 3.973 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc2nccn2c1 171947617 RUAOKPWVTKJJIG-UHFFFAOYSA-N 297.402 3.543 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](C)c1cc(F)ccc1F 116974059 IKGZCBFGTPQTHE-WDEREUQCSA-N 282.334 3.632 30 20 CHED C=CCCCC(=O)NCc1oc2ccc(F)cc2c1C 175441455 UDSNBWIPVCQVME-UHFFFAOYSA-N 275.323 3.853 30 20 CHED CCO[C@H](CCNc1cccc(F)c1C#N)C(C)C 301427114 HUSRHVAZYDGSOE-OAHLLOKOSA-N 264.344 3.560 30 20 CHED C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1ccccc1 174093886 YLATWJLYFULULT-GJZGRUSLSA-N 280.371 3.676 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 300423804 VQEUMOSZPZKGNB-QKPAOTATSA-N 261.409 3.511 30 20 CHED CCCCCCCCC(=O)N1CCC([C@@H]2CCCN2)CC1 115859273 ORBFWYCHYKMPFP-KRWDZBQOSA-N 294.483 3.728 30 20 CHED CC(C)CC1(CNc2snc(Cl)c2C#N)CC1 301620567 XSQGBIOMKVGZRX-UHFFFAOYSA-N 269.801 3.906 30 20 CHED C#CCCCNC(=O)N(CCCC)[C@@H](C)c1ccccc1 174119728 PLOAIXAJFGKYSR-INIZCTEOSA-N 286.419 3.973 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H](C)Cc2cccs2)c1 174784070 KOGNPUKUPWSDTI-CYBMUJFWSA-N 298.411 3.730 30 20 CHED CCN(C(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(C#N)cc1 174079482 ZQBMUPRQHCHQMF-OAGGEKHMSA-N 282.387 3.737 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccn(C(C)C)n2)n1 172216549 JGLVETXAQZLLET-UHFFFAOYSA-N 286.404 3.640 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(C#N)c1C 178369256 RTZYCMUJMRQGDL-UHFFFAOYSA-N 254.333 3.574 30 20 CHED C[C@H](CC#N)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 123343443 JFQCMDNTCOMHBE-ZCFIWIBFSA-N 274.107 3.616 30 20 CHED Cc1cc(F)c(C(=O)N(CCC#N)CC(C)(C)C)cc1F 129928469 XRVCPQFXKKQDFN-UHFFFAOYSA-N 294.345 3.675 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1cccnc1 126277407 HDERQAMKBUQLHD-GQCTYLIASA-N 288.690 3.539 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H](C)c2ccccc2)cc1 303793242 ZESFMVYMZMEOPD-CQSZACIVSA-N 267.376 3.525 30 20 CHED CCCN(CCC)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 302678603 RBBQDXDBSVCYFG-UHFFFAOYSA-N 298.346 3.641 30 20 CHED CC[C@H](C#N)Sc1ncnc2sc3c(c12)CCCC3 127100664 YCHRDLNJLVZLDQ-SECBINFHSA-N 289.429 3.964 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)s2)cc1OC 213898868 ABPLZUREMXKHJG-FPLPWBNLSA-N 288.368 3.970 30 20 CHED N#Cc1ccc(Oc2sccc2[N+](=O)[O-])c(Cl)c1 301942633 XLKQTUTUEPIVDW-UHFFFAOYSA-N 280.692 3.974 30 20 CHED CC#CCCCC(=O)Nc1ccccc1OCC(F)(F)F 185026333 MZYDPRJUOKXZKS-UHFFFAOYSA-N 299.292 3.760 30 20 CHED C=CCC[C@H](N[C@H](C)Cc1ccc(O)cc1)C1CC1 120996638 OZNMBFRKMNNWAE-DYVFJYSZSA-N 259.393 3.658 30 20 CHED CC[C@H](C)n1c(S[C@@H](C)C#N)nnc1-c1ccccc1 504315755 XNRGHRUHSFHIBT-RYUDHWBXSA-N 286.404 3.920 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C1CC1 77466268 AQLYWYWTOWRHMS-NSHDSACASA-N 289.404 3.564 30 20 CHED C=CCC[C@H](N[C@@H](C)C[C@@H](O)c1cccs1)C1CC1 121164714 WGXJDXSVRGQILD-AEGPPILISA-N 279.449 3.895 30 20 CHED N#Cc1cc(Cl)ccc1CSC[C@@H]1CCCO1 184810314 NLVTYQOCFMZJAQ-ZDUSSCGKSA-N 267.781 3.624 30 20 CHED CC(C)C[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 189584101 OSUORAOHWSYEAX-GOSISDBHSA-N 281.403 3.774 30 20 CHED N#CCc1cccc(NC(=O)c2cccc3cccnc23)c1 313465075 QUKVZTQDTCEDOV-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C[C@@H](C#N)Sc1nnc(-c2cccc3ccccc23)o1 126932486 ZWKJCTMEMKQNBU-JTQLQIEISA-N 281.340 3.894 30 20 CHED N#Cc1ccc(-c2csc(-c3ccoc3)n2)cc1 70070052 FIDGIQDNFIOREK-UHFFFAOYSA-N 252.298 3.942 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1ccncc1 187361610 WKXKASBIQIXYNS-KRWDZBQOSA-N 297.789 3.944 30 20 CHED C[C@H](C#N)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 186544160 UQOYHOWLIJVEHB-YPMHNXCESA-N 294.782 3.612 30 20 CHED C[C@@H]1CCN(CCCSCC#N)[C@H]2CCCC[C@@H]21 74981630 VTIWOGQBSDYBMH-KFWWJZLASA-N 266.454 3.534 30 20 CHED COC(=O)[C@H](C)c1cccc(NCCCC(C)(C)C#N)c1 417078722 NOCVZYJNUVGHQY-CYBMUJFWSA-N 288.391 3.705 30 20 CHED C=C1CCN(C(=O)Nc2ccc(Br)cc2)CC1 337956189 TUAHWIRMNZYCGX-UHFFFAOYSA-N 295.180 3.633 30 20 CHED CCOc1cc(C)ccc1N[C@@H]1CCC[C@@H](C#N)C1 185739643 VQCZNJBZGMIBLP-ZIAGYGMSSA-N 258.365 3.888 30 20 CHED N#CCCSCc1cc(-c2cccs2)on1 413016646 WSTUBOBELWWGBC-UHFFFAOYSA-N 250.348 3.550 30 20 CHED C=C(C)CSc1nnc(-c2ccccc2OC)n1CC 47821188 XEGFCZDNARCWEN-UHFFFAOYSA-N 289.404 3.642 30 20 CHED CC(C)(C#N)CC(=O)N(CCc1ccccc1)C1CCCC1 501277887 AFDXELAYAORJPJ-UHFFFAOYSA-N 298.430 3.940 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)COCCCCC 501674986 ZZHIRQFPIASMJK-UHFFFAOYSA-N 293.382 3.547 30 20 CHED COCCCCCSCc1cccc(C#N)c1F 340851599 DMNPIBKFOJOHPJ-UHFFFAOYSA-N 267.369 3.747 30 20 CHED CC(C)CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411265072 XZQXEYVVTFCSQB-JCGIZDLHSA-N 298.430 3.993 30 20 CHED CCCCCC(C)(C)C(=O)NCc1cc(C#N)ccc1F 84554295 IJADFYWMDKWPAY-UHFFFAOYSA-N 290.382 3.920 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@H](C)c1ccc(CC)cc1 410829677 RTKFDXOVZTVONY-YOEHRIQHSA-N 286.419 3.893 30 20 CHED C=CCOc1ccccc1C(=O)N1CC2(CCCCC2)C1 503195591 FJCFKZANGHWPSD-UHFFFAOYSA-N 285.387 3.658 30 20 CHED C[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1Cl 42347336 JMLKZIPDUMYHRT-GFCCVEGCSA-N 298.773 3.897 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC)c1cccc(Cl)c1 341876412 JOFGBMMZGQGXAI-IUODEOHRSA-N 267.800 3.565 30 20 CHED CC[C@H]1c2ccccc2CCN1C(=O)c1cc(C#N)cs1 84111619 IFYUNAGJGUZOGT-HNNXBMFYSA-N 296.395 3.769 30 20 CHED CC1(C)CN(c2ccc(C#N)nc2)C[C@H]1c1ccccc1 135567651 JGKIUYXKTPNLNC-KRWDZBQOSA-N 277.371 3.583 30 20 CHED N#C[C@H](C(=O)Cc1ccc2ccccc2c1)c1ccccn1 46706238 AVGQZTHRGRXYFQ-KRWDZBQOSA-N 286.334 3.654 30 20 CHED CSCC[C@@H](C)N(C)c1nc(C(C)(C)C)ccc1C#N 613425724 DVZYNMYSQMUKLX-GFCCVEGCSA-N 291.464 3.829 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(Cl)c1 44764945 MYMDTZMTOUWKJV-UHFFFAOYSA-N 250.729 3.608 30 20 CHED C[C@H](Nc1ncccc1C#N)c1ccc(OC(F)F)cc1 44724791 BKAIDYHZFMKQGA-JTQLQIEISA-N 289.285 3.728 30 20 CHED COc1ccc2nc(NCc3ccc(C#N)cc3)ccc2c1 194024273 KAMBFTXEXKHAMO-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421557745 LUIYMUQXWNQXIR-TZMCWYRMSA-N 281.359 3.503 30 20 CHED N#Cc1cc(F)cc(OCc2ccc(Cl)cc2)c1 227636286 KQIKBSJKWWRJGR-UHFFFAOYSA-N 261.683 3.930 30 20 CHED O/C(=N/C[C@H]1CCCOC1)Nc1cccc2ccsc12 328771354 GXOZESXAZWSNPU-LLVKDONJSA-N 290.388 3.654 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1/N=C(/O)[C@H]1CCCC(O)=N1 328822491 RMNRNWYSLSVMFJ-AAVRWANBSA-N 280.412 3.913 30 20 CHED C=CCC[C@H](NCc1cnn(C=C)c1)c1ccccc1 194389636 RPFLMKMUNWVBEB-KRWDZBQOSA-N 267.376 3.781 30 20 CHED Cc1ccc2sc(C(=O)N(C)[C@@H](C)C#N)c(C)c2c1 336283357 UDYAHBKHYZSONH-JTQLQIEISA-N 272.373 3.502 30 20 CHED C=CCCCCCNc1cc(NC(C)=O)ccc1OC 195447351 VEGKQRKKXJHYGX-UHFFFAOYSA-N 276.380 3.812 30 20 CHED Cc1cccc(O[C@H](C)CNCc2ccc(C#N)c(F)c2)c1 421368447 UZJQVJKTMHNCSE-CQSZACIVSA-N 298.361 3.563 30 20 CHED C=C(C)[C@H](NC(=O)[C@@]12CCC[C@H]1C2)c1ccc(F)c(F)c1 421532168 PQMNPAUAPIMREP-YLQAJVPDSA-N 291.341 3.888 30 20 CHED Cc1cc(Cl)c(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1C 335151253 KBOBJUOSQJBTEY-NWDGAFQWSA-N 291.782 3.771 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1C)c1ccccc1 425038412 WTOQBUSCTSIYEM-OAGGEKHMSA-N 271.404 3.993 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCSc2ccc(OC)cc21 191532383 RHXHZBPWLRXBCV-BXUZGUMPSA-N 263.406 3.786 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2ccncc2F)cc1 337951179 JVETVXYIMNYCIV-ZDUSSCGKSA-N 286.350 3.636 30 20 CHED Cc1oc(C(C)C)cc1/C(O)=N/C[C@@H]1CCCC[C@H]1O 330611139 OLBUSPVAQJCGRC-GXTWGEPZSA-N 279.380 3.567 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@]23CCC[C@H]2C3)cc1C#N 421568416 GUYRFKIAWSFZFT-UGSOOPFHSA-N 298.386 3.864 30 20 CHED CC(C)(C)Cc1csc(N=C(O)C2=CCOCC2)n1 330858496 UYVBMJFLNLCGJC-UHFFFAOYSA-N 280.393 3.666 30 20 CHED Cc1c(C(=O)N(C)C[C@H](C)C#N)sc2cc(F)ccc12 335165492 PDUVQYMTPLPULR-SECBINFHSA-N 290.363 3.581 30 20 CHED C=CCCCC(=O)Nc1ccc(C(F)(F)F)nc1C 338101646 XLSTXCLAKLAXHE-UHFFFAOYSA-N 272.270 3.704 30 20 CHED C=CCC[C@@H](NC[C@H](C)O)c1ccc(C(F)(F)F)cc1 337184939 OMDOAWBNHYORSB-SMDDNHRTSA-N 287.325 3.683 30 20 CHED Cc1cc(C)c(CC/N=C(/O)c2nc(C)oc2C)c(C)c1 330540483 RTFMPCAVQJRCTA-UHFFFAOYSA-N 286.375 3.764 30 20 CHED CC1=CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 335584226 SRGCLZUAOSDPJK-UHFFFAOYSA-N 289.766 3.590 30 20 CHED CC(C)(C)OC1CC(CCNCc2cccc(C#N)c2)C1 432243912 YNHWTJVARDOANE-UHFFFAOYSA-N 286.419 3.632 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(-c2ncco2)c1 335721877 OGXFMQPSHVGFDL-OAHLLOKOSA-N 297.358 3.914 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H]1Cc1ccccc1 437835012 ONFRDPIGYKOHDA-HNAYVOBHSA-N 276.383 3.936 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cccc(C#N)c1C 432269045 PSIKOGPXVMWFKE-NEPJUHHUSA-N 273.380 3.813 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(C#N)s2)o1 343330684 IIDZESQIPZCSII-YGRLFVJLSA-N 272.373 3.626 30 20 CHED C=CCCCCN[C@@H](CCn1cncn1)c1ccc(C)cc1 437033021 ZTXUWECUCHAATL-SFHVURJKSA-N 298.434 3.664 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 522981130 ZRTPRMMFSIOKNU-IRXDYDNUSA-N 299.418 3.716 30 20 CHED N#Cc1cccc(C#N)c1NCCc1ccc(F)cc1Cl 436399372 YDDJOELLKFRBOE-UHFFFAOYSA-N 299.736 3.877 30 20 CHED C=C1CCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 604865983 RORYPCPTLNDGKT-DOTOQJQBSA-N 271.404 3.995 30 20 CHED CCN(CC#N)CC(c1ccccc1)c1ccccc1 438850300 UVJGYHXUNACZKY-UHFFFAOYSA-N 264.372 3.664 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cc(Cl)sc1Cl 539298265 QMMQVYAUFOLEST-IUCAKERBSA-N 294.247 3.890 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(C[C@@H](C)CCC#N)[C@H]2C 602598885 ZMZNFQSNYXEBCL-KKUMJFAQSA-N 286.419 3.943 30 20 CHED COc1cc(OCc2cc3ccccc3o2)ccc1C#N 435803933 LLRDSVDRMQDJHG-UHFFFAOYSA-N 279.295 3.892 30 20 CHED CC#CCCNCc1cc(Cl)ccc1OCC1CC1 430777450 WJEBGUZBFYMWLY-UHFFFAOYSA-N 277.795 3.632 30 20 CHED C=CCSCCN[C@H](C)c1nc(C(F)(F)F)cs1 343728585 NWHZSHFTDXHPFK-MRVPVSSYSA-N 296.383 3.732 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)CC1 437417226 BSGASPJWSDYXDZ-KOMQPUFPSA-N 287.378 3.934 30 20 CHED Cc1nc2c(s1)[C@H](N(C)C[C@@H](C)CCC#N)CCC2 602476834 WURUKXPGLMOWBY-SMDDNHRTSA-N 277.437 3.701 30 20 CHED CCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603763747 DDSLYEHELBEBPY-UHFFFAOYSA-N 295.342 3.874 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 250602739 SXJGIYIDZZNOQN-IXDOHACOSA-N 290.451 3.991 30 20 CHED C=CCCNc1cccc2c1CN(c1nccs1)C2 340181851 IEODNLZXWLEOMC-UHFFFAOYSA-N 271.389 3.651 30 20 CHED C=CCN(Cc1ccc(F)cc1Br)C1CC1 540053460 BTYXWFXKTFOPAY-UHFFFAOYSA-N 284.172 3.739 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCCC(C)(C)C#N 527049644 MEUIZNRYDLIFHN-STQMWFEESA-N 254.443 3.580 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1sc(C(C)(C)C)nc1C 540393484 LIRCGFGGKGMBED-DGCLKSJQSA-N 296.480 3.584 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)NC[C@H](C)C#N 609589984 YVUCSQQWLHUWIT-UKRRQHHQSA-N 264.413 3.649 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cccc(OC(F)(F)F)c1 343568099 YLPODZGOAMHKGK-SNVBAGLBSA-N 284.281 3.540 30 20 CHED O=C(/C=C\c1cccc(OC(F)(F)F)c1)c1cccnc1 254999708 RPKMMHLPQHYHMA-SREVYHEPSA-N 293.244 3.876 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 602554425 CMSGTXNPVYVELB-QBPKDAKJSA-N 290.451 3.644 30 20 CHED CCC(CC)n1ccc(CN2CCCC(C)(C)[C@@H]2C#N)n1 444733950 XVASGKHWYGRNJB-INIZCTEOSA-N 288.439 3.758 30 20 CHED CC[C@H](NC[C@H](C)N1CCC[C@H](C)C1)c1ccc(C#N)cc1 447537522 WMMDTJLGIFQLLF-BXWFABGCSA-N 299.462 3.719 30 20 CHED Cc1ccccc1OCc1noc(-c2cc(C#N)cs2)n1 357226790 GATQMXLWKRTHBN-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CC1(C#N)CCC(NCCCc2nc3ccccc3[nH]2)CC1 449104310 VATBBKGXKKPDSZ-UHFFFAOYSA-N 296.418 3.558 30 20 CHED C=CCNC(=O)CSCc1ccc(-c2ccccc2)cc1 603774636 OQZAHMVCBHFRFT-UHFFFAOYSA-N 297.423 3.889 30 20 CHED Cc1cc(CN(C)CC(C)(C)C#N)cc2cccnc12 354017753 MAIAOXQQDFBUDP-UHFFFAOYSA-N 267.376 3.525 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@@H](C)CC2)CC1 443573160 IXECGLZGIQKXNV-UKRRQHHQSA-N 264.413 3.563 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 534138511 SJZHPLCPWFGWAY-OLZOCXBDSA-N 272.392 3.808 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CCSC1 448247633 LIUCAYHJMKZDEO-OAHLLOKOSA-N 296.480 3.517 30 20 CHED Cc1ccc(CN(C)C)cc1NCc1ccc(C#N)cc1F 269404554 HEZJHGGCBCWTIM-UHFFFAOYSA-N 297.377 3.680 30 20 CHED Cc1cc(CN[C@H]2CC[C@H](C#N)C2)c2[nH]c(C)c(C)c2c1 442788354 ZUFICBARCMSUAE-HOCLYGCPSA-N 281.403 3.875 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1sccc1Cl 355541917 CQYOPWPJLSLURD-VIFPVBQESA-N 255.770 3.582 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)Cc1ccsc1 539388816 UBBDKOFAPPIYIU-QWHCGFSZSA-N 280.437 3.723 30 20 CHED Cc1csc(-c2noc(/C=C\c3ccccc3C#N)n2)n1 356687851 QESYWKMXTRRAOK-SREVYHEPSA-N 294.339 3.544 30 20 CHED CC(C)CN(C(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C 264329959 MNBSJBQZKZCMSX-CQSZACIVSA-N 287.407 3.695 30 20 CHED CC(C)CC1(CNC(=O)N2CCC[C@@](C)(C#N)C2)CCC1 612143495 XFVZOJFQSMISPQ-INIZCTEOSA-N 291.439 3.538 30 20 CHED CCCCC1CCC(CNC(=O)c2c[nH]c(C#N)c2)CC1 539810550 GMOBCBBYOMUPJL-UHFFFAOYSA-N 287.407 3.613 30 20 CHED Cc1nn([C@H](C)CCSc2ccccc2)cc1C#N 359427886 QALHWHNHCDJBPA-GFCCVEGCSA-N 271.389 3.807 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H](C)C1CCCC1 610521204 BXHQLMSDAQEMED-AWEZNQCLSA-N 264.413 3.601 30 20 CHED CCN(CC#Cc1ccc(F)cc1)Cc1cccs1 448197480 OFCXVYWPEILHHH-UHFFFAOYSA-N 273.376 3.761 30 20 CHED C=CC1CCN(c2cncc(-c3ccccc3)n2)CC1 539612453 PYYJHKIXERZHJE-UHFFFAOYSA-N 265.360 3.546 30 20 CHED CC(C)(CNCc1cc(C#N)cs1)Oc1ccccc1 530640582 WBSJVJZGOXLLMO-UHFFFAOYSA-N 286.400 3.567 30 20 CHED CC(C)C[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1 443509333 MPIYTRJOKPCMAF-LLVKDONJSA-N 297.324 3.987 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)nc1OCC 359489566 ZPKVWVHTHUXRBA-UHFFFAOYSA-N 290.407 3.607 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCCCC2(F)F)CCCC1 619110317 HZDDJLKBRZLOKY-LBPRGKRZSA-N 271.351 3.817 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc2cc(OC)ccc2c1 448621867 NAPBGTKFXRQLKK-UHFFFAOYSA-N 283.371 3.677 30 20 CHED CC(C)[C@@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 443987806 LKPXDKOUYYKTAQ-CQSZACIVSA-N 279.387 3.979 30 20 CHED N#Cc1csc(CN2CC[C@H](c3ccccc3F)C2)c1 353635296 ZKAVWAPUBKUCTQ-ZDUSSCGKSA-N 286.375 3.748 30 20 CHED N#Cc1ccc(/C=C\c2nc([C@@H]3CCCS3)no2)cc1 612948905 FBYHFQYSXCAJFL-WSROAFLRSA-N 283.356 3.680 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(CC)c(C)c1 537653078 GWXBEOUZMZYRTA-OAHLLOKOSA-N 288.435 3.782 30 20 CHED COc1ccc(C[C@H](C)CNCC(C)(C)CC#N)cc1F 459732045 OFJVNZGJQVINMT-ZDUSSCGKSA-N 292.398 3.542 30 20 CHED CCN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)[C@H](C)C(C)C 618846977 OBFLAZSIAHRXDU-DYVFJYSZSA-N 299.418 3.622 30 20 CHED C=C(CC)CNC(=O)c1csc(Br)c1C 456813782 RWEPHCPYJZTNJL-UHFFFAOYSA-N 288.210 3.515 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(Cl)cc1 265677982 ZYENXUBFLFUDHL-UHFFFAOYSA-N 252.745 3.770 30 20 CHED Cc1ccc(OCCNc2ccc(F)cc2C#N)c(C)c1 610272837 KFMDQXJAMCJGKX-UHFFFAOYSA-N 284.334 3.805 30 20 CHED CC(C)[C@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)CS1 617099849 DHGMGIMQDZPQEJ-VBNZEHGJSA-N 274.433 3.739 30 20 CHED CCC(C)(C)c1ccc(CNC(=O)[C@@]2(C#N)C[C@@H]2C)cc1 450202475 OJNQWUFBSJYQQN-SCLBCKFNSA-N 284.403 3.540 30 20 CHED C[C@@H](CCC1CC1)N[C@@H]1CCc2cc(C#N)ccc21 618802937 GHPJHGSQVLHCDN-YVEFUNNKSA-N 254.377 3.714 30 20 CHED COC1(CCNc2cc(C#N)ccc2OC(C)C)CCC1 453078556 GOULXKXRHYTDHO-UHFFFAOYSA-N 288.391 3.717 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 450785680 BNOWPTJPCGIAKC-QIBSRJKCSA-N 297.185 3.720 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618827681 MPKZXFQCANVQKZ-GUYCJALGSA-N 297.402 3.590 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(F)cc(F)c1 362475156 XJPVIUCTAGVKGS-ZDUSSCGKSA-N 266.291 3.537 30 20 CHED Cc1nc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c(C)s1 611442790 ZEPRZPNEWGVSDW-LLVKDONJSA-N 297.427 3.972 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C 457777016 BLDBKEDZFWVWKO-KRXQYRFLSA-N 293.451 3.546 30 20 CHED CC[C@@H](C)n1nc(C(=O)Nc2cc(C)cc(C#N)c2)cc1C 456959965 GZALCHAJXYIWLX-GFCCVEGCSA-N 296.374 3.595 30 20 CHED C=C(C)CNC(=O)c1oc2ccccc2c1CSC 614529948 CYDKRLGWKMBISQ-UHFFFAOYSA-N 275.373 3.602 30 20 CHED CN(CCC#N)C(=O)Nc1ncc(C2CCCCC2)s1 273056312 KNYGDBLRBUBXKQ-UHFFFAOYSA-N 292.408 3.568 30 20 CHED C[C@H](N[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 367800390 JBDWPZXPQPNRMP-LIRRHRJNSA-N 292.382 3.665 30 20 CHED CC(C)N(CCSCC1(C#N)CCC1)C(C)C 450908943 SYBNHGYLHPJNEJ-UHFFFAOYSA-N 254.443 3.532 30 20 CHED C=C(C)CCNC(=O)N1CCC(Cc2ccccc2)CC1 451803695 RXSZBNYIBOBKMY-UHFFFAOYSA-N 286.419 3.617 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1cccc(CC#N)c1 456763130 ZMOCFLXGEFJVGK-GOEBONIOSA-N 270.376 3.908 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](c1ccccc1)C(C)C 452773566 IWJUYGZAONCADO-HNNXBMFYSA-N 259.393 3.755 30 20 CHED C[C@H](CCCC(F)(F)F)NCC(C)(C)CC#N 459730377 LUFIFGFNUYUTQS-SNVBAGLBSA-N 250.308 3.637 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCN(c3ccccc3)C2)n1 453180623 BBCAMYWHLXHQNH-CQSZACIVSA-N 297.402 3.917 30 20 CHED C=CCC[C@H](CC)N[C@H](c1ccccc1)c1cnn(C)c1 366673819 FDNFPDWMCGNBOQ-ZWKOTPCHSA-N 283.419 3.844 30 20 CHED CS[C@H](CN[C@H](C)c1cccc(C#N)c1)C(C)(C)C 543426264 MCODKMGGXYYQKO-IUODEOHRSA-N 276.449 3.987 30 20 CHED C[C@H]1CC(C(=O)Nc2cccc(CC#N)c2)C[C@H](C)C1 456761173 XTPLNOXEHJFCPT-CHWSQXEVSA-N 270.376 3.763 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1C#N 544141421 DTACDOUGPSXQPX-UHOFOFEASA-N 295.773 3.665 30 20 CHED CC1(C)CC[C@H](NCCSCc2ccccc2C#N)C1 544355997 YDWRZPDVWCNNQC-INIZCTEOSA-N 288.460 3.960 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 279890287 AKJQBDNYZFGUPA-INIZCTEOSA-N 284.403 3.651 30 20 CHED C=CCCCCCSc1ncc2c(n1)CCCC2=O 629195703 SPZZPITZQAJTJR-UHFFFAOYSA-N 276.405 3.834 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2nccc(C)c2C#N)C1 543206206 JFQMKFYHJLGKOK-HOTGVXAUSA-N 291.398 3.953 30 20 CHED C=CCN(Cc1nc2cc(C)ccc2s1)[C@@H](C)COC 625531180 YWPPCAJAZZHRTO-ZDUSSCGKSA-N 290.432 3.628 30 20 CHED COc1ccccc1C[C@H](C)Nc1cc(C#N)ccc1OC 542184927 ARQNAADFSBZGDM-ZDUSSCGKSA-N 296.370 3.619 30 20 CHED C=CC[C@H](CC)N[C@H](C)CCc1ccc(OC)c(O)c1 467515500 ZWEJAQJDFFRKJA-HIFRSBDPSA-N 277.408 3.666 30 20 CHED CC#CCCSCc1ccc(OCC(F)(F)F)nc1 462371732 UWHURZSACOODSP-UHFFFAOYSA-N 289.322 3.669 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1c(C)cccc1C)C1CC1 545499576 DAOMNZBBVVISKN-AWEZNQCLSA-N 272.392 3.724 30 20 CHED C=CCN(C(=O)CCc1ccccc1C)C(C)(C)C 622944583 YGVJEGNSYBJLJH-UHFFFAOYSA-N 259.393 3.741 30 20 CHED Cc1ccncc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 370814484 KYYUHKCFTIYHDE-MOPGFXCFSA-N 291.398 3.662 30 20 CHED C=C(C)CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 275020009 MFOQEVVQINSMJI-AWEZNQCLSA-N 260.381 3.582 30 20 CHED C=CC[C@@H](C(=O)N(CCC)CC1CC1)c1ccccc1 463267365 QTKARZKSQTXWEN-QGZVFWFLSA-N 271.404 3.995 30 20 CHED C=CCCOCC(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 620224185 ZTNMQGZGOFVQJX-GOSISDBHSA-N 289.419 3.655 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 543942593 UBEVUQNNDQRLTQ-JONQDZQNSA-N 278.440 3.951 30 20 CHED N#Cc1ccc(Sc2cnc3ccccc3n2)c(F)c1 462894007 FNQAFJVZIKZOQG-UHFFFAOYSA-N 281.315 3.792 30 20 CHED CC(C)n1ccnc1Sc1nc(Cl)c(C#N)s1 286320733 ZSLOIOKSHXDCDL-UHFFFAOYSA-N 284.797 3.597 30 20 CHED Cc1coc(C)c1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 284496274 LQFDLHHWXFIQCG-UHFFFAOYSA-N 294.354 3.573 30 20 CHED C=CCC1(C(=O)N2CCc3c(O)cccc3C2)CCCCC1 629152380 PXRZIUKFZMFEPA-UHFFFAOYSA-N 299.414 3.804 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 465118917 HAWYUSNJVAHELC-SSDOTTSWSA-N 283.158 3.779 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1cccc(Cl)c1 466366596 JOZCXJCBLLSWCF-CQSZACIVSA-N 280.799 3.836 30 20 CHED C=CCC1(C(=O)Nc2cc(F)ccn2)CCCCC1 622152449 JMYOQCORHRKIHB-UHFFFAOYSA-N 262.328 3.686 30 20 CHED CC/C=C\CCn1nc(C(C)(C)C)c(CCC#N)c1O 469554996 VNFCRWGRVKOTSY-SREVYHEPSA-N 275.396 3.699 30 20 CHED C=CCCN(C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 467298094 UCPTZTMPHKWYPO-NSHDSACASA-N 291.782 3.959 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)CCC1 280649284 JVSNNSHKGOCVSM-HDJSIYSDSA-N 287.378 3.934 30 20 CHED Cc1ccccc1-c1csc(=O)n1CCC(C)(C)C#N 281782870 DVQJLCLKOBRLTK-UHFFFAOYSA-N 286.400 3.825 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC[C@H]1CCOC 281997459 CTBORMYBBUWOOX-DOTOQJQBSA-N 289.419 3.546 30 20 CHED C=CCCOCCN[C@H]1C[C@H](c2ccccc2)C1(C)C 464058988 VOBVNDUHQXPLLT-SJORKVTESA-N 273.420 3.751 30 20 CHED CCc1ccc([C@H]2CCCN(C[C@@H](C#N)CCC#N)C2)cc1 286500129 PQWLANCQOPROKG-MJGOQNOKSA-N 295.430 3.872 30 20 CHED C=CCCN(C)Cc1c(Cl)cccc1N1CCCC1 467386085 UANRWAJKRWSARP-UHFFFAOYSA-N 278.827 3.948 30 20 CHED C[C@H](C1CC1)N(C(=O)c1cc(C#N)ccc1Cl)C1CC1 285062435 HBZWFINOCYFKFC-SNVBAGLBSA-N 288.778 3.615 30 20 CHED C=CCCN(C)[C@H](C)C(=O)Nc1cccc2ccccc12 467306712 ZOWQJICSAADBGO-CQSZACIVSA-N 282.387 3.675 30 20 CHED CN(CCCCC#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 554304884 AUHMQSPHKGJVCY-IAGOWNOFSA-N 286.419 3.858 30 20 CHED Cc1cc(NCCc2cc3ccccc3o2)cc(C#N)n1 557589154 WEDZGLSPIOOVJA-UHFFFAOYSA-N 277.327 3.663 30 20 CHED C[C@H]1[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1CC#N 558190941 SYYSOUHCQRXSCL-MORSLUCNSA-N 290.366 3.741 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1c(F)cccc1F 292931221 YTCFDVZHHCTVDH-UHFFFAOYSA-N 268.307 3.689 30 20 CHED COC[C@H](/N=C\c1ccccc1O)c1cccc(Cl)c1 809144100 CWWWXDVAKQYNCU-PACYTGELSA-N 289.762 3.852 30 20 CHED C=CCCC(=O)OCc1cccc(C(=O)OC(C)(C)C)c1 800159508 OUJZCPDTNOFQCN-UHFFFAOYSA-N 290.359 3.651 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1cccc(F)c1 470647337 UTWJOQNLKAZLOV-UHFFFAOYSA-N 297.373 3.973 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@H](c2ccccc2)C1 299315127 IJVWMGACTLQNFX-NSHDSACASA-N 289.791 3.662 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 295084446 FHSYQIWKESLFQQ-GXFFZTMASA-N 281.758 3.663 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2ccc(C#N)cc2)CCCC1(C)C 470290756 ZQNWWOXLZWBKNO-KRWDZBQOSA-N 296.414 3.694 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(Cc2ccc(C#N)cc2)n1 385038318 QVNCDCYSEMQHGN-SWLSCSKDSA-N 281.359 3.826 30 20 CHED C=CCN(CCc1ccco1)CCc1ccccc1F 470301736 HQCSATTXICBENM-UHFFFAOYSA-N 273.351 3.692 30 20 CHED C=CCn1c(SCC2CCCC2)nnc1C1CC1 298621806 YSVZUJVDCNXDLA-UHFFFAOYSA-N 263.410 3.624 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(N(CC)C(C)C)cc1 479280892 OLQNSMULUHSMMC-UHFFFAOYSA-N 274.408 3.569 30 20 CHED C#CCCCCNC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 806959151 LBUIBALBXVXLPZ-AEFFLSMTSA-N 298.430 3.973 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCCC[C@H]1CC 569742415 FHQXKAXTJKQDCP-ZIAGYGMSSA-N 276.428 3.747 30 20 CHED N#Cc1ccc(CNC2CC(c3cc(F)cc(F)c3)C2)cc1 809605729 GZVGIXMEJNSRMD-UHFFFAOYSA-N 298.336 3.872 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1cccc(C2CC2)c1 295419407 CPCVSIRKWYMMQW-CYBMUJFWSA-N 269.388 3.791 30 20 CHED N#Cc1ccc(Cn2cnc(Cl)c2Cl)c(Cl)c1 809961643 YAVNZBDBORWVCA-UHFFFAOYSA-N 286.549 3.763 30 20 CHED C#C[C@H](NC(=O)/C=C(/C)CCC)c1ccc(Cl)cc1 811944996 MGPRXTFRTSHACP-SSCKCOOKSA-N 275.779 3.877 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@H]1C(C)C 812495911 XRWHGNOPYMFTDQ-HNNXBMFYSA-N 266.429 3.953 30 20 CHED CCCOc1ccc2[nH]cc(C=NOCC3CC3)c2c1 814244009 AVFOUGWVIFGPFO-UHFFFAOYSA-N 272.348 3.717 30 20 CHED N#Cc1cccc(NCc2ccnc(Cl)c2Cl)c1 811453169 IEIWICFUUYJKJM-UHFFFAOYSA-N 278.142 3.872 30 20 CHED CCCCOC1CCN(Cc2ccc(C#N)c(C)c2)CC1 488448307 ZHYHDAXKJZFWND-UHFFFAOYSA-N 286.419 3.648 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccccc1C#N 814867574 KIACCOCEVBGRQM-UHFFFAOYSA-N 283.762 3.725 30 20 CHED Clc1cccc(N2CCCC2)c1C=NOC1CCC1 812234885 AGDNLKKXTNOQNM-UHFFFAOYSA-N 278.783 3.843 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)Cc1ccc(C)cc1C 815538918 UPIZDNHFUFDWFS-ZDUSSCGKSA-N 281.346 3.562 30 20 CHED N#Cc1cccc(NN=C2CC(c3ccccc3)C2)c1 814786273 BPCYQCVRGYSSKG-UHFFFAOYSA-N 261.328 3.904 30 20 CHED CC1(C)OCCC1=NNc1ccnc2cc(Cl)ccc12 814694084 UNQICCUWOJQTGE-UHFFFAOYSA-N 289.766 3.855 30 20 CHED C#C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 811950940 RZNLNGMHXMNHFM-OAHLLOKOSA-N 287.721 3.583 30 20 CHED Cc1ccc2c(c1)/C(=C/c1ccc(C#N)cc1F)C(=O)N2C 811701062 RYCUXAZHGFRNOI-DHDCSXOGSA-N 292.313 3.523 30 20 CHED CCC(=NOCC1CC1)c1ccc(OC(F)F)cc1 814243185 KJXXNHMJBNEEOU-UHFFFAOYSA-N 269.291 3.829 30 20 CHED C=CCCCCCCCNC(=O)NC1CCSCC1 811883315 RLZPTNWHXUWSEI-UHFFFAOYSA-N 284.469 3.708 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(CC)cc1 489889946 XHLFUSRMACFPDK-UHFFFAOYSA-N 259.393 3.510 30 20 CHED C=CCC(C)(C)CNC(=O)/C=C\c1ccc2[nH]ccc2c1 814420149 PAOAEMDWMSCKEF-VURMDHGXSA-N 282.387 3.900 30 20 CHED CCOC1CC(=NNc2ccc(C#N)c(C(F)(F)F)c2)C1 814828536 IANHTFZYQXQEJR-UHFFFAOYSA-N 297.280 3.544 30 20 CHED CC(=NOC1CCC1)c1cc(Br)cc(C)c1O 812235408 UWGUHVYSYMFCND-UHFFFAOYSA-N 298.180 3.756 30 20 CHED COc1cccc(NN=C(C)c2ccccc2OC)c1 725853562 NCQARGHCRGESQU-UHFFFAOYSA-N 270.332 3.540 30 20 CHED C[C@H]1SCCC1=NOc1ccccc1C(F)(F)F 814888375 XCXCKRYSRVELIP-MRVPVSSYSA-N 275.295 3.966 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1nc2ccccc2s1 825850950 PHGMMYYQZWPGPH-SNVBAGLBSA-N 274.389 3.686 30 20 CHED C#CCCCCNC(=O)Nc1ccc(Cl)cc1SC 824299842 MUYBETCOTGCYPH-UHFFFAOYSA-N 296.823 3.987 30 20 CHED C#Cc1cccc(N(C(=S)N[C@H](C)CC)C(C)C)c1 728226873 MURISLILSJWQDJ-CYBMUJFWSA-N 274.433 3.556 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(COC)c1 665500762 SNPOEOYLDJIQPD-UHFFFAOYSA-N 276.380 3.699 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)N[C@H]2C=CCC2)cc1C#N 823664545 SNTBJLUPGYAGGF-ZDUSSCGKSA-N 299.374 3.576 30 20 CHED CC(C)[C@@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 583542918 LTWKKGFKAGVURI-OAHLLOKOSA-N 286.766 3.811 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C1CCCCC1)c1ccccc1 580623776 GZPHPTNKGKCYRG-RDTXWAMCSA-N 284.403 3.769 30 20 CHED C[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@@H](C)S1 583917952 OPVRNCRNKCACIG-ZIAGYGMSSA-N 266.454 3.676 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)O 901871462 MAYWIIVJKZJCSD-BHYGNILZSA-N 289.419 3.653 30 20 CHED C=C[C@H](CC)CC(=O)OCc1cc2ccccc2nc1O 909528507 BXUTUBZBIOVQKC-GFCCVEGCSA-N 285.343 3.586 30 20 CHED CC(=NNc1ccccc1)c1c(Cl)nc2ccccn12 737413579 GNRXBIBGTRFQNA-UHFFFAOYSA-N 284.750 3.824 30 20 CHED C[C@H]1C/C(=C\c2ccoc2C(=O)O)C(=O)c2ccccc21 833587357 KMCITDYVKAUEKJ-LZAIMSLLSA-N 282.295 3.751 30 20 CHED C=CCC(CC=C)C(=O)NCC[C@]1(C)CC1(Cl)Cl 836918254 FISPCMLIUMAUMY-CYBMUJFWSA-N 290.234 3.845 30 20 CHED CCOC(=O)CCSCCCCC1(C#N)CCC1 901591315 ZYJCXOMNGKOING-UHFFFAOYSA-N 269.410 3.537 30 20 CHED C[C@H](NC(=O)c1ccsc1C#N)[C@H](C)c1ccccc1 906884945 FOMBUHZZLWBTIB-RYUDHWBXSA-N 284.384 3.542 30 20 CHED C=C(C)CN(C)C(=O)c1cccc(SC(F)(F)F)c1 831794274 IEJJAJRWDUDJNL-UHFFFAOYSA-N 289.322 3.947 30 20 CHED Cc1cccc(C=NN=c2cc[nH]c3ccccc23)c1C 731153330 GXWDEOJVBLIQKX-UHFFFAOYSA-N 275.355 3.720 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1cc2ccccc2o1 588523489 RESMTBRZFOOJCD-ALCCZGGFSA-N 267.259 3.863 30 20 CHED Cn1c(C#N)ccc1-c1nc(C2CCCCCCC2)no1 834645759 LPNMJWNBIRMLNY-UHFFFAOYSA-N 284.363 3.775 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2cccc(O)c21 834787007 GBPFJEZJTSOPJY-IRXDYDNUSA-N 290.366 3.528 30 20 CHED CC(C)Oc1ccccc1[C@H](C)NC(=O)C#CC(C)(C)C 837347449 VVPIVKIQERSUDO-AWEZNQCLSA-N 287.403 3.701 30 20 CHED CCON=Cc1cccc(OCc2cccc(C#N)c2)c1 915958310 YCIXYSGYNLSWAT-UHFFFAOYSA-N 280.327 3.508 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCCc2cccs2)C1 839041568 DMFGTVLAJKJBAP-STQMWFEESA-N 277.389 3.696 30 20 CHED N#C[C@@H](C(=O)/C=C\c1ccco1)c1ccc2ccccc2n1 916849558 UVCRACQWEURSPP-WKTRQSJXSA-N 288.306 3.717 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)[C@]1(C)CC=CCC1 835339115 WTKDMAFEPRABHR-JKSUJKDBSA-N 266.381 3.505 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nc(C2CCCC2)no1 594534455 ZCGFQPLLOBKODY-GFCCVEGCSA-N 281.359 3.945 30 20 CHED C=CCN(C(=O)NCC[C@@]1(C)CC1(Cl)Cl)C(C)C 838680935 GGUTWNAISWJION-LBPRGKRZSA-N 293.238 3.566 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)[nH]c1C)c1ccc(OC)cc1 835149311 ZXWUBBFHQBWPHI-MRXNPFEDSA-N 298.342 3.512 30 20 CHED CON=Cc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1 916606308 FWCCXKYQKNGIIA-AWEZNQCLSA-N 290.407 3.612 30 20 CHED Cc1csc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1Cl 839060711 YRGIGEWOGDLFPZ-UWVGGRQHSA-N 283.780 3.949 30 20 CHED N#CCN(Cc1ccc(Oc2ccc(F)cc2)nc1)C1CC1 597001670 ZQYUFSVSGITEIB-UHFFFAOYSA-N 297.333 3.501 30 20 CHED COc1ccc2c(c1)OCC2=NNc1cc(C)ccc1C 749158425 OICVFXGFWTUMAW-UHFFFAOYSA-N 282.343 3.521 30 20 CHED Fc1cccc(F)c1C=NNc1ccc2ccccc2n1 916285944 QZEWNZXLFABXMH-UHFFFAOYSA-N 283.281 3.959 30 20 CHED CC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 595568421 UWNMZLFYBTVAHP-HOTGVXAUSA-N 285.391 3.519 30 20 CHED Cc1cc(C)cc(C[C@@H](C)/N=C/c2cccc(O)c2O)c1 741844862 QNXIAOJSRPJALP-HIPSJFSSSA-N 283.371 3.765 30 20 CHED Cc1cc(NN=C2CCC[C@H]2c2ccc(F)cc2)nc(C)n1 741163680 WEDKJIQYNOQLKT-HNNXBMFYSA-N 298.365 3.968 30 20 CHED CCON=Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C 740760985 SRRCCBZWPGYANL-UHFFFAOYSA-N 291.782 3.572 30 20 CHED CCC(C)(C)NC(=O)c1ccc(NCC2(CC#N)CC2)cc1 594700987 MTWSUNRPGSLVLS-UHFFFAOYSA-N 299.418 3.711 30 20 CHED CCOc1ccccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 748680001 MXSXMGYHNZRSEP-ZDUSSCGKSA-N 295.338 3.875 30 20 CHED C/C(=C/c1ccco1)C(=O)OCC1(C#N)CCCCC1 847676932 WYBDYAVUBVNKCO-RAXLEYEMSA-N 273.332 3.700 30 20 CHED C=C(C)COC(=O)c1cc(-c2cccc(Cl)c2)no1 748923581 GQTYVNWOUSEWIL-UHFFFAOYSA-N 277.707 3.728 30 20 CHED CC(C)=CCC[C@H](C)CC=Nn1c(C)cc(C)c(C#N)c1=O 917569852 YLEWLMKEAVASLD-AWEZNQCLSA-N 299.418 3.943 30 20 CHED C[C@H](/N=C/c1cccc(O)c1O)c1c(F)cccc1F 917558838 ZSTUSXZQHJTQMF-ZBPACCJBSA-N 277.270 3.556 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc[nH]1 840332788 DERQEGRGWBRTNO-ZBFHGGJFSA-N 297.402 3.562 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 597042744 GRIBZGAAGADLEL-GJZGRUSLSA-N 292.810 3.888 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(C#N)s1 749006114 RJMKTSPWQCHFMM-ALCCZGGFSA-N 271.316 3.963 30 20 CHED CCOc1cccc(/C=N/Cc2cccc(C)c2)c1O 912787313 FQSPDOMRTLEXND-LDADJPATSA-N 269.344 3.718 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2ccc(CC(=O)O)cc2)C1 848413982 GWPVWLHDTGXMBZ-UKRRQHHQSA-N 288.391 3.928 30 20 CHED C=CCCN(C)C(=O)c1ccccc1NCc1ccccc1 682546089 JHZZIMWRGZMDGN-UHFFFAOYSA-N 294.398 3.947 30 20 CHED N#C[C@H](C(=O)[C@@H]1C[C@H]1C1CCC1)c1nc(C2CC2)cs1 845614505 KEAYTJXZCJRCMC-YNEHKIRRSA-N 286.400 3.633 30 20 CHED C=CCCSCCN[C@H](c1cncc(F)c1)C1CC1 595058282 GIUCXMWVWWTCAW-HNNXBMFYSA-N 280.412 3.571 30 20 CHED CCc1occc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 684674609 XRLCPWMLLIALKZ-AWEZNQCLSA-N 290.322 3.880 30 20 CHED CC(Cc1ccccc1C)=NNc1cc(Cl)nc(C)n1 743441841 PFQIVBMGKMZLGK-UHFFFAOYSA-N 288.782 3.777 30 20 CHED C[C@@H]1CN(CCCCC(C)(C)C#N)CC2(CCCC2)O1 592194653 PVKDQSJIYYRBTC-OAHLLOKOSA-N 278.440 3.740 30 20 CHED CC1(C)CC(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)C1 842946122 VNPRTGIYHBPTMX-NSHDSACASA-N 274.389 3.633 30 20 CHED N#CCCCCOC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 744139028 HCQBKUIDMLOLEI-FUHWJXTLSA-N 283.371 3.518 30 20 CHED COc1ccc(C(C)=NNc2cc(F)cc(F)c2)cc1F 920374732 JXZUZILULLMART-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CC[C@](C)(C#N)C(=O)OCCSc1ccc(F)cc1F 849775618 OSNLYSJJRQXEFK-CQSZACIVSA-N 299.342 3.540 30 20 CHED CSc1ccc2c(c1)CC/C(=C/c1cc(C)n(C)n1)C2=O 840718015 WBHSOXVJDJSMQK-LCYFTJDESA-N 298.411 3.663 30 20 CHED N#CC1(CCOC(=O)/C=C\c2ccc(O)cc2)CCCCC1 840189678 PAGSMRVIGBHUPU-TWGQIWQCSA-N 299.370 3.813 30 20 CHED COCCCOc1ccccc1N[C@H](C)CC(C)(C)C#N 926064729 ZRYBSEXRQYYILZ-CQSZACIVSA-N 290.407 3.842 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1O2 926590383 BZDLEOVAEDTESU-AIHBUXEESA-N 285.431 3.719 30 20 CHED CCC#C[C@H](C)N1CCC(n2c(C)nc3ccccc32)CC1 684621646 XKVZGBDNWMMAGT-HNNXBMFYSA-N 295.430 3.784 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@@H](CC)CC1)c1ccccc1 757763210 PNHNSCITFUSKCH-SJLPKXTDSA-N 298.430 3.973 30 20 CHED C[C@@H]1CC[C@H](CC(=O)OCc2ccc(F)cc2C#N)C1 759399987 IEEAHDFCZPAWLX-NEPJUHHUSA-N 275.323 3.567 30 20 CHED Cc1cc(Cl)cc2c1OCCC2=NO[C@H]1CCCCO1 755815971 BSLCAKYOKXJPML-AWEZNQCLSA-N 295.766 3.678 30 20 CHED CCCCCCCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 754869317 VIUMINPTUVJCTE-USXIJHARSA-N 293.451 3.811 30 20 CHED Cc1ccc(CC(=O)OCc2cc(F)ccc2C#N)cc1C 759349651 OHYZDJOAVUNQBP-UHFFFAOYSA-N 297.329 3.600 30 20 CHED C#CCCCC(=O)N[C@H](c1nc2ccccc2[nH]1)[C@@H](C)CC 758089891 YJGYDHOSZCYYGE-GUYCJALGSA-N 297.402 3.570 30 20 CHED CCc1ccc(C(C)=NNc2ccc(OC)cc2)o1 750923478 YYAFXHLZOBSTDM-UHFFFAOYSA-N 258.321 3.687 30 20 CHED Cc1cc(CN(C)C)cc(N[C@H](C)CC(C)(C)C#N)c1 925952235 HYRSCBQFUQBKEM-CQSZACIVSA-N 273.424 3.797 30 20 CHED C[C@H](CC(C)(C)C#N)NCC1(c2ccccc2)CC1 924622154 ZMAROAKDFDEAGN-CQSZACIVSA-N 256.393 3.636 30 20 CHED C#CCCCN1CC[C@H]1c1ccc(Br)cc1 852688984 PEXPPVCQAZQRRU-AWEZNQCLSA-N 278.193 3.609 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@H]1Cc1ccccc1 851805613 DIMBUTFYTARZHK-ROUUACIJSA-N 262.356 3.568 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCc3ccc(F)cc32)s1 750741508 HUTMOFVJMYOPQZ-ZDUSSCGKSA-N 287.315 3.603 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)[C@@H]1C[C@@H]1c1ccccc1 755702521 ZTEMFAQVVBMIMB-DOTOQJQBSA-N 287.366 3.858 30 20 CHED C#CC[C@@H](CCOC)NCc1ccc(Cl)c(Cl)c1 858331477 CSPZZDQOTLPVBH-LBPRGKRZSA-N 286.202 3.511 30 20 CHED COc1ccc(C(C)=NNc2cc(F)cc(F)c2)c(O)c1 920376470 IWRYDLBPPHGBBC-UHFFFAOYSA-N 292.285 3.515 30 20 CHED FC(F)(F)CCCCON=C1CCOc2ccccc21 752766750 TWQNRWHZRYGWES-UHFFFAOYSA-N 287.281 3.922 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccc(F)c(F)c1)C2=O 920067209 VFCDSUSLMAKPTJ-KPKJPENVSA-N 286.277 3.932 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2ccc(C)c(F)c2)[C@H]1C 853438702 KOVAWXOIOXOONP-RYUDHWBXSA-N 292.354 3.511 30 20 CHED CCCCc1nc(C=NN2CCCC[C@H]2C)c(Cl)[nH]1 853381058 ZKPBEAFAMQKCDY-LLVKDONJSA-N 282.819 3.614 30 20 CHED CCC[C@H](C)C(CC)=NNc1ncc(Cl)cn1 857222950 GNMCUMQAOMNUNN-VIFPVBQESA-N 254.765 3.744 30 20 CHED CCCCCCCCCCNC(=O)[C@@]1(C)CCOC1 754347532 MPLRVAIVJNSKNS-INIZCTEOSA-N 269.429 3.670 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)c1cccc(C#N)c1 758529798 JRJGUPQBNXSUBC-ZDUSSCGKSA-N 269.344 3.931 30 20 CHED CCc1ccc(C(=O)/C=C\c2cnc3cccc(C)n23)o1 752237390 FWDBYNVIKHOOBL-CLFYSBASSA-N 280.327 3.694 30 20 CHED CC[C@H]1CC(=NNc2nccc3sccc23)CCO1 756833387 FWLDBNWRVNWRAA-NSHDSACASA-N 275.377 3.653 30 20 CHED CCO[C@@H]1CC(=NNc2cc(F)cc(OC)c2)C12CCC2 759213196 WUBLTWHEDKOAJT-OAHLLOKOSA-N 292.354 3.581 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(N(C)C)cc1 767362096 MLYPKVCCJMEVBU-UHFFFAOYSA-N 292.386 3.547 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1ccccc1CC#N 864694809 RTHBYGAVTVTTQZ-CQSZACIVSA-N 272.392 3.841 30 20 CHED C=CCN(CCC(=O)C1CC1)Cc1ccc(Cl)s1 767345615 AEXVUTOZIMVOGP-UHFFFAOYSA-N 283.824 3.759 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H](C)c1ccco1 860683479 AJBRZUZHKARISS-STQMWFEESA-N 298.342 3.703 30 20 CHED Fc1cc(F)cc(NN=Cc2cnc(C3CC3)s2)c1 761813209 UWUHQFQMLBPJBV-UHFFFAOYSA-N 279.315 3.745 30 20 CHED C=CCCOCC(=O)OCc1c(C)ccc2ccccc12 767308056 OAVQPVFVNJXHTM-UHFFFAOYSA-N 284.355 3.784 30 20 CHED FC(F)(F)CNN=Cc1ccccc1-c1ccccc1 769808529 QNXWBOHOZUYSJT-UHFFFAOYSA-N 278.277 3.839 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)(F)F)C1 761048688 GFXNYHNHVHEOLJ-GXFFZTMASA-N 268.282 3.503 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1nc(Cl)sc1C 762868677 JMZLCMNRUVECFF-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1nc(O)c2ccccc2n1 769585310 NKVMJKYLNXPNOB-RYUDHWBXSA-N 298.390 3.950 30 20 CHED Cc1noc(C(C)C)c1C(=O)O[C@H](C)c1cccc(C#N)c1 764616153 ZPHNRAZVTHPVDD-GFCCVEGCSA-N 298.342 3.896 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H](c1cccnc1)C(C)C 879107114 SCVFLKMHABFIOZ-OAHLLOKOSA-N 274.408 3.540 30 20 CHED COc1cc(NN=C2CC[C@@H]3C[C@H]23)ccc1Cl 872370549 ARSQCEZJHGJPQN-SCZZXKLOSA-N 250.729 3.546 30 20 CHED C[C@H](SCc1ccccc1)C(=O)OCCC(C)(C)C#N 776377207 UPVCTDAKRQXAJJ-ZDUSSCGKSA-N 291.416 3.791 30 20 CHED CCO[C@H]1CC(=NNc2cc(Cl)ccn2)C12CCCC2 777905404 FZXGBHDAFXFRFZ-ZDUSSCGKSA-N 293.798 3.872 30 20 CHED C=CC[C@H](C(=O)O[C@H](C)c1ncc(C)o1)c1ccccc1 778419203 QUFKBORXLAEGJI-HIFRSBDPSA-N 285.343 3.947 30 20 CHED C=CCSc1ccccc1C(=O)OCc1ccccn1 776724787 YXXBLXWAGSXOCG-UHFFFAOYSA-N 285.368 3.717 30 20 CHED C[C@H](NCC1CCC(C#N)CC1)c1cc(O)ccc1F 872067458 AFRUOVCPZICFCO-HIFPTAJRSA-N 276.355 3.512 30 20 CHED Cc1ccc2cc(C(=O)OCCC(C)(C)C#N)ccc2n1 776396148 PJKBDMSUANPCPX-UHFFFAOYSA-N 282.343 3.640 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1ccc2c(c1)COC2 782288271 OUBIPFZAWBVIBR-MRXNPFEDSA-N 272.392 3.609 30 20 CHED Cc1ncccc1/C=C\C(=O)c1ccc(C#N)cc1Cl 788360428 KGPBINZNCRXCMM-ALCCZGGFSA-N 282.730 3.811 30 20 CHED Cc1ccc(N[C@H]2CCO[C@@H](c3ccccc3)C2)c(C#N)n1 882193093 YRFUMEGDUZCSTI-MAUKXSAKSA-N 293.370 3.594 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 788690553 JZQARGHNCJKBDC-NEPJUHHUSA-N 277.368 3.572 30 20 CHED CC(=O)Nc1cccc(C(C)=NN[C@@H]2CCCC2(C)C)c1 782287181 KUMNZVMIBRRFAR-MRXNPFEDSA-N 287.407 3.537 30 20 CHED C#CCC1(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)CCCCC1 788430156 NEYMJYJOXFTGCB-JKSUJKDBSA-N 275.436 3.997 30 20 CHED N#CCC1(OC(=O)COc2ccc3ccccc3c2)CCC1 788135213 XDCUAEQSMPBOOT-UHFFFAOYSA-N 295.338 3.598 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)c1ncccc1C)c1ccccc1 1120741384 MZALIRUIUGYUDA-CVEARBPZSA-N 294.398 3.927 30 20 CHED CC(=NOC[C@@H]1CCOC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788442098 ZPTUJVGZYCBHLZ-GRYCIOLGSA-N 299.823 3.934 30 20 CHED Fc1cc(Cl)ccc1C=NNC1CCCCC1 786043397 NTXCOYKCBMGNOF-UHFFFAOYSA-N 254.736 3.735 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NOC[C@H]1CCOC1 788037794 YFMSPWQSEMOPKZ-LBPRGKRZSA-N 297.782 3.516 30 20 CHED Cc1cccc2c1OCC[C@@H]2OC(=O)c1cccc(C#N)c1 789496307 GYTUUVQEZKVHFX-INIZCTEOSA-N 293.322 3.547 30 20 CHED C=C(Cl)COC(=O)c1cc(OC)c(C(C)C)c(OC)c1 781297478 FQSCGBPZYCPSDE-UHFFFAOYSA-N 298.766 3.737 30 20 CHED CCCCCCCCC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 784745523 IQZUTVJGETVVGA-IRXDYDNUSA-N 281.440 3.811 30 20 CHED CC[C@H](C)[C@H](C)C(=O)O[C@@H](C#N)C1CCCCC1 780237525 FARWSNOHTFPPDG-OBJOEFQTSA-N 251.370 3.684 30 20 CHED C=CCC1(CNCc2cnn(C)c2C2CC2)CCCC1 894752673 FEUIIKPGDDWJLW-UHFFFAOYSA-N 273.424 3.524 30 20 CHED C#CCCCCCC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 780329031 KYMLRXPQCVKTCU-CYBMUJFWSA-N 289.331 3.783 30 20 CHED N#CC1(CCCC[S@](=O)c2ccc(F)cc2F)CCC1 899277878 QORVKJRKLRQGGA-FQEVSTJZSA-N 297.370 3.937 30 20 CHED Fc1ccc(F)c(CNN=C2CCC23CCCC3)c1 788714243 FZBQQGFUEBDNJZ-UHFFFAOYSA-N 264.319 3.765 30 20 CHED Cc1cc(COC(=O)CCc2ccsc2)ccc1C#N 782526499 LDLYNLZRPBJGTP-UHFFFAOYSA-N 285.368 3.604 30 20 CHED CC(Cc1ccccc1F)=NNc1ccccc1C(=O)O 780201534 MMEPUSYTZSAOJF-UHFFFAOYSA-N 286.306 3.554 30 20 CHED C=CC(C)(C)Cc1nc(-c2ncccc2SC)no1 896250492 XKXWOTYDBUAUSW-UHFFFAOYSA-N 275.377 3.608 30 20 CHED Cn1cc(/C=C2/Cc3ccc(Cl)cc3C2=O)c(C2CC2)n1 899364969 MFWFSEHCFDARLZ-GHXNOFRVSA-N 298.773 3.773 30 20 CHED CC(C)(C)SCCCC(=O)Nc1cc(C#N)ccc1F 891450947 LWRXQYQOFGBPIS-UHFFFAOYSA-N 294.395 3.948 30 20 CHED Cc1cc(F)ccc1NN=C[C@]1(C)CCCS1 793035690 ZJCCQBYRXBYDCN-ZDUSSCGKSA-N 252.358 3.818 30 20 CHED CCO[C@@H]1C[C@@H](N(C)C[C@@H](C)CCC#N)C1(CC)CC 1204334825 MOXVNYKGDNPQSL-ARFHVFGLSA-N 280.456 3.842 30 20 CHED C[C@@H](NN=CCCc1ccc2c(c1)CCO2)C(C)(C)C 793114758 NHYZHJBPLYSCQM-CYBMUJFWSA-N 274.408 3.564 30 20 CHED C[C@@H](C(=O)OCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 798785328 PEBWVGRRUFWMKA-SNVBAGLBSA-N 297.276 3.656 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(-n2cncn2)cc1 793526713 NOMAMVVPBGHDLQ-MRXNPFEDSA-N 298.434 3.882 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2ccc(SC)cc2)nc1 798666479 UAFNSQAJANCJGL-LBPRGKRZSA-N 297.379 3.703 30 20 CHED C=CCc1cc(C=NOC[C@@H](C)CC)cc(OC)c1O 793164009 PQCCVLCZGOABAL-LBPRGKRZSA-N 277.364 3.526 30 20 CHED Cc1ccc(-c2nc(C=NNCCC(F)(F)F)co2)cc1 794546188 RTGLUNTWPHRXPT-UHFFFAOYSA-N 297.280 3.526 30 20 CHED C=CCNN=Cc1sc(Nc2ccccc2)nc1Cl 794999910 SGYRCGMHUPWZPZ-UHFFFAOYSA-N 292.795 3.650 30 20 CHED O=C(/C=C\c1ccc(Cl)c(F)c1)c1ccnc(F)c1 794718699 DTXOPRVQZTURPC-RQOWECAXSA-N 279.673 3.909 30 20 CHED C=CCC(C)(C)C(=O)OCc1ncccc1C(F)(F)F 796463375 OZVBYJWOHCZGPR-UHFFFAOYSA-N 287.281 3.746 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1cc(C)n(C)n1 799880472 CICZGIPRTGMASA-UHFFFAOYSA-N 297.189 3.871 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(C#N)c(F)c1 1219030766 LGLDRZOFHZAXBQ-YPMHNXCESA-N 289.354 3.645 30 20 CHED C[C@@H](CCC#N)CN1C[C@H](C)Oc2c(Cl)cccc21 1308728559 IMTJKSVZYXSJEG-RYUDHWBXSA-N 278.783 3.867 30 20 CHED C[C@H](C1CCCCC1)N(C)CCOc1cccc(C#N)c1 1307721611 JUUZOWSTUFECBV-OAHLLOKOSA-N 286.419 3.838 30 20 CHED C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[C@H]2CC[C@H]1C2 1162090718 PVMNJUTUPHKCIH-KATARQTJSA-N 281.812 3.905 30 20 CHED N#Cc1cccnc1Oc1ccc(F)c(C(F)(F)F)c1 75914743 KMHLXHMDCSGUKW-UHFFFAOYSA-N 282.196 3.903 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C1CCCCCCC1 135156693 LZRAFTQCOSOOLK-UHFFFAOYSA-N 274.339 3.996 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)CC(C)(C)c2ccccc2)n1 1162321252 OEONBQMATPICKV-CYBMUJFWSA-N 294.402 3.825 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)c2cccc(F)c2C#N)C1 301483190 XQXFQSHFYCLERS-VXGBXAGGSA-N 278.396 3.808 30 20 CHED C=CCCC[C@H](C)NCc1ccncc1Br 631107791 GTGDJVDHECPAHO-NSHDSACASA-N 283.213 3.679 30 20 CHED Cc1cc(OCCN(C)C[C@H](C)C#N)ccc1C(C)C 513963348 PHENLVUPWXMAJV-CQSZACIVSA-N 274.408 3.589 30 20 CHED CCCC[C@](C)(F)c1nnc(-c2ccc(C#N)cc2)o1 1327354516 PFCXCZYELVPYRP-HNNXBMFYSA-N 273.311 3.983 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 593408711 RYOPRDAXJHFMPM-DZGCQCFKSA-N 272.392 3.830 30 20 CHED C#CCCCc1nnc([C@H](C)Oc2cccc(Cl)c2)o1 1327363426 HIFITCDIZXJEBU-NSHDSACASA-N 290.750 3.819 30 20 CHED Clc1ccccc1CNN=C1CCC2(CCCO2)CC1 1320767887 RDXJRJSXVYBHAC-UHFFFAOYSA-N 292.810 3.909 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)nn1)c1cccc(N)c1 1326234191 IXKMIZADXVYCKT-UHFFFAOYSA-N 297.406 3.583 30 20 CHED N#Cc1ccc(-c2nnc(-c3cccc(Cl)c3)o2)s1 1253780827 JDWBKGLFQCBTDB-UHFFFAOYSA-N 287.731 3.990 30 20 CHED CC[C@@H](NC[C@H](C)CCC#N)c1cc(F)ccc1OC 1336853058 ABRKNCCVNQGYDT-IUODEOHRSA-N 278.371 3.815 30 20 CHED N#Cc1ccccc1/C=C/c1nnc(Cc2cccs2)o1 1345908615 RKWZDYYSOWWDNL-BQYQJAHWSA-N 293.351 3.764 30 20 CHED N#C[C@H](c1ccccc1)N1CCC2(CCCC2)CC1 1194600229 UJLNBPYDNMKDPN-MRXNPFEDSA-N 254.377 3.907 30 20 CHED C=C[C@H](C(=O)N1CCC[C@@H]1c1ccncc1)c1ccccc1 1347290731 PRUSHUDAFJHVBD-ZWKOTPCHSA-N 292.382 3.715 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 1199705631 POOSZNAYSAJCPN-GFCCVEGCSA-N 289.354 3.645 30 20 CHED CCC(CC)[C@@H](C)C(=O)O[C@H](CC#N)c1ccco1 1345546986 IMLBIHKLEWRPOG-BXUZGUMPSA-N 263.337 3.850 30 20 CHED C=C(C)CCC(=O)N[C@H](c1ccccc1)c1nccs1 1357899367 GZPABKPNNDVCKL-OAHLLOKOSA-N 286.400 3.705 30 20 CHED CC[C@H](CC(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1357599289 SRXWBCXSZJXXIA-HIFRSBDPSA-N 296.345 3.981 30 20 CHED CCN(C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccc(C#N)cc1 1360939642 XKEYMLDAQFOANR-IJEWVQPXSA-N 284.403 3.983 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCc1ccc(C#N)cc1 1459512340 GTROBXLBAXPUFO-FHLIZLRMSA-N 268.404 3.754 30 20 CHED CC[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)C1CCCC1 1525704100 MLBQJHAFRNNDHI-IRXDYDNUSA-N 284.403 3.769 30 20 CHED COc1ccc(CNc2ccc(F)c(F)c2C)cc1C#N 1461571351 PRAZSWHKSZTAOR-UHFFFAOYSA-N 288.297 3.766 30 20 CHED N#Cc1ccnc(CNC(C2CCCC2)C2CCCC2)c1 1460814077 IMNFCPVFDIBZQN-UHFFFAOYSA-N 283.419 3.792 30 20 CHED C[C@@H](CC=NNc1c(Cl)cccc1Cl)C(=O)O 1604130333 TTWLPXNTEGJKPO-ZETCQYMHSA-N 275.135 3.502 30 20 CHED C[C@H]1C/C(=C\c2cc(C(=O)O)co2)C(=O)c2sccc21 1609843816 WOYUXWJFMKVJCV-MOIHINDBSA-N 288.324 3.813 30 20 CHED CCCC[C@H](SCc1cccc(C#N)c1F)C(=O)O 1605252426 ZLAUDOHSFLPSGO-LBPRGKRZSA-N 281.352 3.574 30 20 CHED N#Cc1c(NCC2(C(=O)O)CCCC2)cccc1C(F)F 1601084244 PHWZQFCBFXISLY-UHFFFAOYSA-N 294.301 3.553 30 20 CHED Cc1c(NC(=O)c2ccc(C#N)cc2F)ccc(F)c1F 1535769768 NLMMXUDYQVXKIL-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1534067848 KOADTZLTEAAIPC-WCQYABFASA-N 296.374 3.589 30 20 CHED O=C(O)Cc1ccc(NN=C2CC[C@@H]2c2ccccc2)cc1 1608780246 BPTZKIRIDBOTAS-MRXNPFEDSA-N 294.354 3.659 30 20 CHED CCC1(NC(=O)c2ccc(F)c(C#N)c2)CCCCC1 1533672591 OCXOHVVSBNXCQG-UHFFFAOYSA-N 274.339 3.540 30 20 CHED Cc1cc(N2CCc3ccc(C(C)C)cc3C2)c(C#N)cn1 1472826348 SXYFJPJBIWCVEM-UHFFFAOYSA-N 291.398 3.948 30 20 CHED CCOCc1ccc(Nc2nc(C#N)c(Cl)s2)cc1 1559117197 HZRNQFLHPMTBFB-UHFFFAOYSA-N 293.779 3.948 30 20 CHED CCc1nc2cc(NC(=O)c3csc(C#N)c3)ccc2o1 1630557970 FPRPVEFKJLYSDU-UHFFFAOYSA-N 297.339 3.576 30 20 CHED Cc1ccc2c(c1)CN(CC1(CC#N)CC1)C(C)(C)C2 1643198239 NSDWKESCEVEURU-UHFFFAOYSA-N 268.404 3.826 30 20 CHED Cc1cc(N2CCC[C@H]2/C=C/c2ccccc2)ncc1C#N 1643252050 ZBIXYLWSAXQEEQ-BBVFFXRHSA-N 289.382 3.944 30 20 CHED CC1(C)C[C@@]1(CNc1ccc(C#N)cn1)c1ccccc1 1652068988 UXTXDHKOMLTLNS-GOSISDBHSA-N 277.371 3.733 30 20 CHED C#CCCCCCCOc1cc(C(=O)O)ccc1C 1588442501 SRPZZEXNQNPCLU-UHFFFAOYSA-N 260.333 3.656 30 20 CHED C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)C1CCCCC1 1584409684 UKGPVNDEZZUNHH-YOEHRIQHSA-N 284.403 3.769 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(C)c(C(=O)O)[nH]1 1588567837 TYTKBHJAOFYDNY-UHFFFAOYSA-N 298.386 3.600 30 20 CHED N#Cc1cnc(N(Cc2ccccc2)CC2CCC2)c(F)c1 1655018764 HIEHUPDFRYPEGT-UHFFFAOYSA-N 295.361 3.899 30 20 CHED CCc1nc(C#N)cc(N2CCC(C)(CC(C)C)CC2)n1 1655537042 FXPNDZNOVVAFCF-UHFFFAOYSA-N 286.423 3.563 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(F)c1 1596288412 DWRGVEYFUJKGNB-VXGBXAGGSA-N 274.339 3.852 30 20 CHED COc1cc(C#N)ccc1C(=O)Nc1ccc2occc2c1 1596964807 JSGXECAPIHVRPA-UHFFFAOYSA-N 292.294 3.565 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)c1 160140999 REPQHGNNFBFBMF-KBPBESRZSA-N 288.391 3.761 30 20 CHED C=C(C)CN(CC)[C@H](C)c1nc(Cc2ccccc2)no1 152520786 BTUKEZUKDWEKGW-CQSZACIVSA-N 285.391 3.619 30 20 CHED Cc1cc(N(C)C)cc(C)c1NCc1ccc(C#N)cc1 152342492 YEXPJSGPVBUZSI-UHFFFAOYSA-N 279.387 3.853 30 20 CHED C=CCC[C@H](NC(=O)Nc1cccnc1)c1ccccc1 153295124 PNIVVUPHJNDQTQ-INIZCTEOSA-N 281.359 3.911 30 20 CHED CC1(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC1 153388810 GBKNUCKIOIOUSX-UHFFFAOYSA-N 271.364 3.552 30 20 CHED Clc1cccc(C#CCN2CCC[C@H]2c2ccc[nH]2)c1 157691494 NKIKBSXETCROKS-KRWDZBQOSA-N 284.790 3.857 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccn(-c2ccccc2)n1 156767790 MHTDCWCIWLWOBW-UHFFFAOYSA-N 296.370 3.684 30 20 CHED C#CCCCCNC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 154999043 LRAXMXXUGUQZAA-IAGOWNOFSA-N 298.430 3.686 30 20 CHED Cc1ccc(/C=C\C(=O)c2c(C)nn(C)c2C)cc1C 209234135 ZTEQNKCREUCGGP-HJWRWDBZSA-N 268.360 3.550 30 20 CHED N#CCCCCN1CCCc2cc(Br)ccc21 102397687 ZOEXQCLOJMTBBG-UHFFFAOYSA-N 293.208 3.896 30 20 CHED CC1(C)CCCC[C@H]1NCc1cccc(C#N)c1F 229594916 VHLLASWGJZAKQZ-CQSZACIVSA-N 260.356 3.756 30 20 CHED CS[C@@H]1CC[C@@H](Nc2nc3c(cc2C#N)CCCC3)C1 231630222 NOWJZTPYKQJZFL-ZIAGYGMSSA-N 287.432 3.528 30 20 CHED CCC(CC)(CNCc1ccc(C#N)c(OC)c1)SC 232895654 GNVOPPULSAYSHQ-UHFFFAOYSA-N 292.448 3.578 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cccc(Cl)c1Cl 233292750 LYEGEQFQZWIXLI-VIFPVBQESA-N 270.159 3.525 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 233357124 IYRAYMCVARRULO-USXIJHARSA-N 271.404 3.734 30 20 CHED CC[C@](C)(C#N)C(=O)N(CCC(C)C)CCC(C)C 234081866 WCKOABBMTVQKPD-MRXNPFEDSA-N 266.429 3.847 30 20 CHED C[C@H](CCNc1cccnc1C#N)c1ccccc1 129997700 RDKZAUKAEGYDTH-CYBMUJFWSA-N 251.333 3.559 30 20 CHED CC1(C)CCCN(C(=O)c2csc(Cl)c2)[C@H]1C#N 278057255 WCLNEJABUUJHNM-JTQLQIEISA-N 282.796 3.556 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CCCCC2(F)F)cc1 294206267 ADWHNUQIIVIZTG-CYBMUJFWSA-N 278.302 3.517 30 20 CHED CC[C@@H](CC#N)NC(=O)c1oc2ccc(Cl)cc2c1C 183868892 ABLYDYIAXFJKIS-NSHDSACASA-N 290.750 3.817 30 20 CHED C#Cc1cccc(NC(=O)c2coc3ccccc23)c1 70379604 AZYMKYFYXJYLTB-UHFFFAOYSA-N 261.280 3.666 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC2(CCC2)CC1 308727778 NLDWCWIVPOLWDN-UHFFFAOYSA-N 260.768 3.982 30 20 CHED C=C(C)CCNc1ccc(OC)cc1Br 309086792 YRDSUENXFNRIEH-UHFFFAOYSA-N 270.170 3.836 30 20 CHED C=CCCCN[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 309860592 HYZUONWFUBSZMI-HUUCEWRRSA-N 296.455 3.626 30 20 CHED Cc1nc(Sc2ccc(CO)cc2)c(Cl)cc1C#N 336812827 BBGSGASDQPNAPF-UHFFFAOYSA-N 290.775 3.559 30 20 CHED C#C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)(C)C 491737189 LDTCFHXGDZXNRM-WOPDTQHZSA-N 289.341 3.519 30 20 CHED CCCCCCCCCCCC(=O)N1C[C@@H](C)[C@@H](O)C1 387784729 JIIXOZYVQALFOK-CVEARBPZSA-N 283.456 3.747 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC[C@H]2C(F)(F)F)nc1 288511706 NAZQTZBZQDCOFO-VXGBXAGGSA-N 283.297 3.734 30 20 CHED Cc1ccc(C)c(C(=O)OCc2ccccc2C#N)c1 5112601 YDSHGMRSMMCUPP-UHFFFAOYSA-N 265.312 3.532 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1cccs1 20126478 IJUOBMFJYVJWNH-LLVKDONJSA-N 258.346 3.824 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)c(C)c1 40360720 NYPIOWITBWTDGN-INIZCTEOSA-N 270.376 3.506 30 20 CHED C/C=C/C=C/C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 45501063 KNTQZUFEEFCHIX-SQWNECTJSA-N 268.360 3.600 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(-c2ccccc2F)o1 47339742 XRYAVHGUMXKXRQ-UHFFFAOYSA-N 285.318 3.900 30 20 CHED C#CCCOC(=O)c1csc(-c2ccc(Cl)cc2)n1 48868173 USZIBNQLRPXIHS-UHFFFAOYSA-N 291.759 3.644 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 49262514 OSVZXOCFIHXKBK-CMPLNLGQSA-N 291.782 3.912 30 20 CHED C=C(Br)CN[C@@H](CC)C1CCCCC1 52339306 LIMHVNJKKBUVRI-LBPRGKRZSA-N 260.219 3.844 30 20 CHED C[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1ccc(C#N)cc1 62038239 HHMGMFVTGWNKMW-UONOGXRCSA-N 282.362 3.979 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 68824640 OEGVDJUNDIGVRQ-SJCJKPOMSA-N 292.338 3.945 30 20 CHED N#CCOc1cccc(N[C@H]2CCC[C@@H](C3CC3)C2)c1 81633319 CUYGNKQVMSAXFN-CABCVRRESA-N 270.376 3.970 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CSc2ccccc21 83748556 ZWLILVVVVSCUIS-AWEZNQCLSA-N 297.339 3.725 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)C1CCCCCCC1 86579744 QIZMIUDKMHTIOF-UHFFFAOYSA-N 284.403 3.877 30 20 CHED C=CCCc1csc(C[C@@H](C)n2cc(Cl)cn2)n1 90065545 XHWYYNXNQPLLRA-SNVBAGLBSA-N 281.812 3.915 30 20 CHED C#CCCCCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 90398112 RIXKZQKCRNUONJ-AWEZNQCLSA-N 299.393 3.774 30 20 CHED CCN(C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 106612405 RNCLLWXOUOEHTM-UHFFFAOYSA-N 298.317 3.582 30 20 CHED C[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccc(C#N)cc1 107549439 YGHVSNOUDYSBLK-LBPRGKRZSA-N 289.338 3.531 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 116849622 PHLJBIPOGRBRJB-NSHDSACASA-N 297.320 3.818 30 20 CHED CCCc1nc(CS[C@@H](C)c2ccc(C#N)cc2)no1 118444248 IROABZQYNWOJJY-NSHDSACASA-N 287.388 3.888 30 20 CHED C#CCCCCC(=O)N1CCC(OC2CCCCC2)CC1 119761353 HNOYRUFEQTVBMZ-UHFFFAOYSA-N 291.435 3.520 30 20 CHED C=CCN(CC=C)Cc1ncc(-c2ccccc2F)o1 120090587 LRPYERIGGWLCAA-UHFFFAOYSA-N 272.323 3.655 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 120972937 KACGIAVYVYSCPW-FGTMMUONSA-N 281.399 3.599 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1C[C@]1(C)CC 123078318 AXKRVDAAHGOOHI-AEFFLSMTSA-N 287.403 3.646 30 20 CHED C=C(CNc1ccc(F)cc1C#N)c1ccccc1 126380727 IWXSZAQKAPUZPB-UHFFFAOYSA-N 252.292 3.823 30 20 CHED C=CCC[C@@H](NC(=O)Cc1c(C)noc1C)c1ccccc1 133988462 BRDCRARSLYDJQQ-QGZVFWFLSA-N 298.386 3.658 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C#N)c1 151029763 IBORBFRSAAWQBN-SGTLLEGYSA-N 280.346 3.720 30 20 CHED CCCOc1cccc(NCc2cc(C#N)ccc2OC)c1 151898561 UXEUXGPVIIWQCI-UHFFFAOYSA-N 296.370 3.968 30 20 CHED C=CCCNc1ccc(C)c(OCC2CCOCC2)c1 152039180 USFBGKCXOQFQHU-UHFFFAOYSA-N 275.392 3.788 30 20 CHED C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(C)(C)C#N 152806931 XKTPMXJGRHXXJU-SECBINFHSA-N 299.201 3.590 30 20 CHED CC(C)(C)CCC(=O)N[C@@H](CCC#N)c1ccccc1 153570691 YJRAUXDNOOIMGT-HNNXBMFYSA-N 272.392 3.974 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(Cl)c2F)C1 155211447 NIFUSVNGPGUYSI-ZUZCIYMTSA-N 294.757 3.681 30 20 CHED C=C(C)CNC(=O)Nc1ccc(OC(F)F)c(Cl)c1 156159157 GLHDEROZHFQFIO-UHFFFAOYSA-N 290.697 3.639 30 20 CHED Cc1ccc(-c2cc(CN(CC#N)C3CCCC3)on2)cc1 156662857 SPMKUGJJVBAGNC-UHFFFAOYSA-N 295.386 3.918 30 20 CHED CCCOc1ccc(NC(=O)N[C@@H](CC)CC#N)c(C)c1 157249032 YFAYSHOCJKZDJE-ZDUSSCGKSA-N 289.379 3.598 30 20 CHED CCc1noc(C)c1CSc1cccc(C#N)c1 158804260 JWXRKEPZHUYBOT-UHFFFAOYSA-N 258.346 3.709 30 20 CHED N#Cc1ccc(-c2nc(Cc3ccccc3)no2)cc1Cl 162478518 UYSXAIBHNZGFMG-UHFFFAOYSA-N 295.729 3.852 30 20 CHED COc1cc(C)ccc1OCc1ccc(C#N)cc1C 165546397 DNSVZKDTLLWKCZ-UHFFFAOYSA-N 267.328 3.763 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(C#N)c1)C2 170985780 HVBQADUGXVWUJQ-CXUHLZMHSA-N 259.308 3.689 30 20 CHED N#CCCCCNC(=O)Cc1ccc(-c2ccccc2)cc1 171507263 YZCLPHVOVPSFGC-UHFFFAOYSA-N 292.382 3.706 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C/c2ccccc2O)C1 176413663 NTAOGBVMDBFOOT-JKSCSLPYSA-N 263.406 3.875 30 20 CHED CC[C@H](c1ccccc1)[S@](=O)Cc1ccc(C#N)cc1 178109800 XUEJEGKBVZTHKD-YLJYHZDGSA-N 283.396 3.958 30 20 CHED C=CCCCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C 178552056 COARBQYAUKIPHM-UHFFFAOYSA-N 273.336 3.581 30 20 CHED CC[C@@H](C)[C@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 178799982 NMGQUZAQZJTYRA-YCPHGPKFSA-N 287.407 3.765 30 20 CHED C#CCCSc1nnc(-c2ccco2)n1-c1ccccc1 179255143 TWQLEJMWPYCFHN-UHFFFAOYSA-N 295.367 3.643 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cccc(-c3ccoc3)c2)C1 179887896 IMXBNGPRESBFDB-MLGOLLRUSA-N 281.311 3.796 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1OC 181037526 JOUNPRXKNJHHEX-GFCCVEGCSA-N 262.353 3.562 30 20 CHED C[C@@H]1CC(C(=O)Nc2ccccc2C#N)C[C@@H](C)C1 182315049 VLINTMZPNWRAHB-RYUDHWBXSA-N 256.349 3.569 30 20 CHED C=CCOc1ccc(COC(=O)Cc2ccsc2)cc1 183576863 ILHJEMBWZGZURB-UHFFFAOYSA-N 288.368 3.599 30 20 CHED C[C@@H](C#N)CNCc1cccc(OCc2ccccc2F)c1 183839136 PGINXCPTUCAWQH-AWEZNQCLSA-N 298.361 3.654 30 20 CHED CC(=O)c1sccc1OCc1ccc(C#N)cc1F 184522601 CBWIJEXMUITAHJ-UHFFFAOYSA-N 275.304 3.540 30 20 CHED CC#CCCCc1nc(Cc2ccccc2Cl)no1 184865163 ZFVABZSUMRDBSC-UHFFFAOYSA-N 274.751 3.660 30 20 CHED CC(C)COC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccco1 185806185 FQKUQAJCMFQCOF-ARFHVFGLSA-N 290.407 3.665 30 20 CHED C=CCC[C@@H](NC[C@H](C)c1ncc(C)s1)C1CC1 186779143 BYCVJWXCANJOJE-SMDDNHRTSA-N 264.438 3.889 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(C(F)(F)F)cc1 189840136 KLZMUEPLKPDQNB-HNNXBMFYSA-N 299.336 3.966 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 192146526 BZJVBZRAYRMNDB-LBPRGKRZSA-N 254.308 3.548 30 20 CHED C=CCCC[C@@H](C)NCc1nc(-c2ccccc2)c[nH]1 194410216 YLLOBIBEPHIJQE-CQSZACIVSA-N 269.392 3.911 30 20 CHED C[C@@H]1/C(=C/c2ccc(O)cc2)C(=O)c2c(O)ccc(F)c21 213219439 BVHYDKDULGTQBA-ZPBHHCQCSA-N 284.286 3.620 30 20 CHED C#CCSCCN[C@@H](C)c1ccccc1C(F)(F)F 222109932 HLOARFVZLMENQW-NSHDSACASA-N 287.350 3.722 30 20 CHED N#Cc1c(Cl)cccc1NCC[C@H]1CCCCO1 223658080 XCOJJQPDWMSEIS-LLVKDONJSA-N 264.756 3.583 30 20 CHED N#Cc1cc(Cl)ccc1NCC[C@H]1CCCCO1 227317997 XJXBZQOKWBJJTB-CYBMUJFWSA-N 264.756 3.583 30 20 CHED N#CCOc1cccc(NCc2ccc3[nH]ccc3c2)c1 229630194 SURKJSGCAOJOOM-UHFFFAOYSA-N 277.327 3.682 30 20 CHED CC(C)(CCC#N)CNc1ccc(C(F)(F)F)nc1 229701466 VQWXHWXKLSBJCC-UHFFFAOYSA-N 271.286 3.842 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(Cl)c(N)c1 232515953 HXRVEAQCIBQDOO-UHFFFAOYSA-N 294.782 3.799 30 20 CHED COc1cc(CNc2ccc(F)cc2C)ccc1C#N 234905549 QRKRSQMLUQUCDS-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)[C@H](C#N)c2ccccn2)CC1 245568876 YGNPGSCHMMWYND-RBSFLKMASA-N 270.376 3.720 30 20 CHED C[C@@H]1CCC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)C1 246551231 KVJVYBPRPSUFJP-RDBSUJKOSA-N 295.386 3.576 30 20 CHED CC[C@H](C)[C@@H](C(=O)N(CC)C[C@H](C)C#N)c1ccccc1 249982062 AWYBYQQIPSEDNH-HLLBOEOZSA-N 286.419 3.824 30 20 CHED N#Cc1ccccc1C(=O)CCc1ccc(C=S)cc1 253534153 ZTTSEEMUHCXKMD-UHFFFAOYSA-N 279.364 3.722 30 20 CHED CCOCCOCc1cccc(N=Cc2ccccc2O)c1 255167648 FFRVPGDGIMVILR-UHFFFAOYSA-N 299.370 3.696 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1cnn(C(C)C)c1)C2=O 255755561 NEWRFBQRQXOLIW-VIZOYTHASA-N 296.370 3.740 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1C 264278486 OPAMDCHOPLMCSN-UHFFFAOYSA-N 272.392 3.705 30 20 CHED CC(C)(C)OC1CCN(c2cc(Cl)ccc2C#N)CC1 268302840 YNZANTNBJYCCAB-UHFFFAOYSA-N 292.810 3.996 30 20 CHED Cc1cc(Oc2cc(Cl)ccc2C#N)nc(C2CC2)n1 268458562 DBJCAQDSQOARST-UHFFFAOYSA-N 285.734 3.980 30 20 CHED CC(C)Cn1cc(N[C@H](C)c2ccc(OCC#N)cc2)cn1 272051841 RZSLORQJWOVZEZ-CQSZACIVSA-N 298.390 3.615 30 20 CHED CC#CCCCC(=O)N1CCCCC[C@@H]1c1ccncc1 274296960 QXYPPFHXNXSCQU-QGZVFWFLSA-N 284.403 3.719 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc2[nH]ccc12 281255215 DXWMDEKDCQIOKX-LLVKDONJSA-N 257.337 3.644 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)NCCCCC#N)c1 285611081 MSIGOGADWYXSBH-OAHLLOKOSA-N 286.419 3.799 30 20 CHED C=CCC[C@@H](NC[C@H]1CCN(CCC)C1)c1ccco1 286275073 VNJBNIOESXGBKZ-HZPDHXFCSA-N 276.424 3.608 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c(O)cc1F 287115464 YIGMUKIROXIUTK-ZDUSSCGKSA-N 271.719 3.726 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ocnc2C2CC2)c1 289469307 VZJYFNKTPIVRRR-UHFFFAOYSA-N 298.342 3.759 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1ccc(CC#N)cc1 289534782 OTYHEWXDJWYOEU-ZDUSSCGKSA-N 273.380 3.795 30 20 CHED C[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)c1ccc2ccccc2c1 291520323 YAVNJIALELNOEM-BFUOFWGJSA-N 292.382 3.752 30 20 CHED C=CCC[C@H](NC(=O)c1ncoc1C1CC1)c1ccccc1 293748421 QNCNTCQJBVWGBJ-HNNXBMFYSA-N 296.370 3.989 30 20 CHED C=CCC[C@@H](NCCC1(OC)CCC1)c1ccco1 293811458 VTYYMBICJGWPBG-CQSZACIVSA-N 263.381 3.836 30 20 CHED N#Cc1c(Cl)cccc1N[C@@H]1CCO[C@H](C2CC2)C1 295059312 PFKHSCAFVWWKJP-ABAIWWIYSA-N 276.767 3.581 30 20 CHED N#Cc1ccc(NC[C@H]2CCN(c3ccccc3)C2)c(F)c1 301069168 DZFKTJCVFMCDHC-OAHLLOKOSA-N 295.361 3.636 30 20 CHED N#Cc1ccc(NCCc2c(F)cccc2F)c(F)c1 301153568 QFSCEQXQKOEQFK-UHFFFAOYSA-N 276.261 3.630 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1CCc2ccc(F)cc21 301184045 JCFKHOSRQFHXKW-LLVKDONJSA-N 293.754 3.907 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCC2CCCC2)c1 308207199 UHBVEKNTLMCXRG-UHFFFAOYSA-N 256.349 3.776 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@@H]1CCCC(F)(F)C1 312132301 FGUQTVVTPCVXLR-OAHLLOKOSA-N 278.346 3.816 30 20 CHED C[C@@H](C#N)OCCNc1ccc2c(c1)Cc1ccccc1-2 314249628 SILHMSALLUEPMT-ZDUSSCGKSA-N 278.355 3.598 30 20 CHED CSc1n[nH]c(N=C(O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 328751998 CQSZADPLKGZMQB-GMTAPVOTSA-N 294.424 3.721 30 20 CHED Cc1cncc(C/N=C(/O)c2coc(C3CCCC3)n2)c1 328754498 ODNZRKIPODKFFI-UHFFFAOYSA-N 285.347 3.540 30 20 CHED CC(C)N(CCC(O)=Nc1sccc1C#N)C1CCC1 329537229 UVCZEJGOYFQOAK-UHFFFAOYSA-N 291.420 3.861 30 20 CHED C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C[C@H](C)C1 332346717 ORVBUJNBLDPBQS-KFWWJZLASA-N 299.418 3.697 30 20 CHED CC(C)[C@H]1N(C(=O)c2ccc(C#N)s2)CC12CCCC2 334771789 SEBAQOVLXJBRRW-CQSZACIVSA-N 288.416 3.661 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2ccncc2C#N)s1 335296771 KZEYPVBHQWBGFV-UHFFFAOYSA-N 285.372 3.565 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)c1sccc1C1CC1 335647610 OIVHXHHTGAOVPP-UHFFFAOYSA-N 294.379 3.700 30 20 CHED C[C@H](N(C)c1ccc(C(F)(F)F)c(C#N)n1)C1(C)CC1 337009739 FBVBSZZVDPQTSA-VIFPVBQESA-N 283.297 3.597 30 20 CHED C[C@@]1(CNc2ccc(C#N)nc2)C[C@H]1c1ccccc1 338740034 LXIBGADYJPBLDQ-IRXDYDNUSA-N 263.344 3.559 30 20 CHED CC[C@H](NCCCC#N)c1ccc(OC(F)F)cc1 342254234 BMTZQAIETJUTTH-ZDUSSCGKSA-N 268.307 3.632 30 20 CHED N#Cc1ccc(Sc2nccc(C#N)c2Cl)c(F)c1 342299361 WNFOWDXJXAGSHS-UHFFFAOYSA-N 289.722 3.769 30 20 CHED Cc1cc(CNc2cc(C#N)ccn2)ccc1Cl 342849260 JWSPFQGABRAULQ-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CCOc1cccc([C@@H]2C[C@H]2Nc2cc(C#N)cc(C)n2)c1 342915399 FSVRJEWVUKRVLI-DLBZAZTESA-N 293.370 3.628 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1CSCC 345223147 BFYMIAYSIUMAFI-UHFFFAOYSA-N 263.406 3.588 30 20 CHED C=C[C@@H](CC(=O)NCC(C)(C)CCC#N)c1ccccc1 345888749 PXEHKPPYKQJZJT-HNNXBMFYSA-N 284.403 3.792 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cc(C)c(C)s1 346909758 ZZYKFJDTRXMRFI-UHFFFAOYSA-N 299.399 3.921 30 20 CHED CC(C)c1nccc(Sc2ccc(C#N)cc2)n1 346948692 QVHLUEAQIDIROM-UHFFFAOYSA-N 255.346 3.623 30 20 CHED Cc1cnc([C@@H](C)CN[C@H]2CCc3ccc(C#N)cc32)s1 353661971 YYWTWONDMSZKSQ-ZBEGNZNMSA-N 297.427 3.704 30 20 CHED CCC(CC)CN(CCC#N)CC1(SC)CCC1 356211856 GZQOKNOHIBMZPZ-UHFFFAOYSA-N 268.470 3.924 30 20 CHED CC[C@H](C(=O)N(C)C1(C#N)CCC1)C1CCC(C)CC1 359292419 OPCVWYURXYHLMK-NRXISQOPSA-N 276.424 3.744 30 20 CHED Cc1ccc2[nH]c(C(=O)NCC(C)(C)CCC#N)cc2c1C 359767320 SEXPBXGRDNOIRM-UHFFFAOYSA-N 297.402 3.845 30 20 CHED C=CCCC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 361841936 IFMFVTHNIGSJGR-AWEZNQCLSA-N 288.778 3.767 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(-c2ccccc2)ns1 362664810 JJPNMHOLVLURSJ-JTQLQIEISA-N 273.361 3.506 30 20 CHED C[C@H](N[C@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(C#N)cc1 367578862 XNZLBNLDTUHBLL-VNBZBWLYSA-N 296.345 3.870 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H]1c1ccc(C)cc1 369686625 XKRZNKDGIDDTMD-KRWDZBQOSA-N 287.403 3.641 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)[C@H]2CCC[C@H]21 378824237 GSADQFCXEPTATI-ZBFHGGJFSA-N 272.367 3.708 30 20 CHED C=CCCCCCCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 388513312 PDUMTNHDCVPKCW-OAGGEKHMSA-N 265.441 3.916 30 20 CHED CCC(=O)c1ccc(OCc2ccc(CC#N)cc2)cc1 399029783 LFJGSQUUADHXLP-UHFFFAOYSA-N 279.339 3.924 30 20 CHED Cc1cc(N2CC[C@H](CC(C)(C)C)C2)c(C#N)cn1 399494295 IVWWBCQFFLJWRD-CYBMUJFWSA-N 257.381 3.524 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N[C@H](C#N)C(C)(C)C 410546310 MGZCEVMYKRSZJJ-QWHCGFSZSA-N 252.402 3.503 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC(C)(C)C1CC1 410555619 DXSYQQLACBYCLT-UHFFFAOYSA-N 264.413 3.791 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1coc2cc(C)c(C)cc12 410838207 XHZAGTMENWMIRZ-CYBMUJFWSA-N 284.359 3.814 30 20 CHED Cc1c(C(=O)Nc2ccc(C#N)c(F)c2)ccn1C(C)C 410871131 GQFCAOBMNMNTLG-UHFFFAOYSA-N 285.322 3.641 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1cnc(C#N)c(Cl)c1 411034954 TXVKBENQLCFCCC-AWEZNQCLSA-N 279.771 3.762 30 20 CHED C=CCCC1(C(=O)N2CCc3ccc(F)c(F)c32)CC1 411061578 FRFSNTBSPGYUAL-UHFFFAOYSA-N 277.314 3.600 30 20 CHED C=CCC[C@H](C(=O)NC[C@@H](C)CCOC)c1ccccc1 412488615 RPBJNIJTPOBKBY-RDJZCZTQSA-N 289.419 3.525 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H](C2CCC2)C2CC2)c1 413357380 JSYPKXZWTCQOON-QGZVFWFLSA-N 268.360 3.751 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@@H](C#N)C(C)C 413414468 ZFCYFHBQGDMHKU-CABCVRRESA-N 264.413 3.647 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1NCC(C)(C)CC#N 414158425 AAZWOGIVPSXUFD-MLGOLLRUSA-N 274.383 3.979 30 20 CHED N#CC1(CC[S@@](=O)C2CCCC2)CCCCC1 414230781 OGYVVHWYTPZWLE-QGZVFWFLSA-N 253.411 3.542 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)[C@H]1C 416925348 SKRMHSFBKUKVOI-VWYCJHECSA-N 291.782 3.720 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CC12CC2 417337972 MIBRGFQEJDLSAY-NVXWUHKLSA-N 266.388 3.715 30 20 CHED Cc1oc2ccccc2c1CNCC1(C#N)CCC1 418145625 YMLWMHFKRUTGBD-UHFFFAOYSA-N 254.333 3.525 30 20 CHED CCOC(=O)CCCCCSCC1(C#N)CCC1 419403065 DGBPYTBKZCUDRW-UHFFFAOYSA-N 269.410 3.537 30 20 CHED N#Cc1cncc(Nc2ccc(COC3CCCC3)cc2)n1 420593836 CIRXVJUUQPNCSK-UHFFFAOYSA-N 294.358 3.551 30 20 CHED C=CCCC(=O)N1CC[C@H](c2ccccc2)C1(C)C 421723945 YLWAMZPOQWRKLF-OAHLLOKOSA-N 257.377 3.747 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c2cccc(F)c2n1 425277501 XLACWRBHTAWTQC-NWDGAFQWSA-N 269.323 3.787 30 20 CHED CN(Cc1cc(F)cc(Br)c1)CC(C)(C)C#N 433312315 QEOQZVPJTBECMV-UHFFFAOYSA-N 299.187 3.570 30 20 CHED Cn1c(SCCCCC(C)(C)C#N)nnc1C1CC1 436118307 MWPWPIBEVKMIRE-UHFFFAOYSA-N 278.425 3.505 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1 436381939 BKKNTBIRSMWMCR-FVQBIDKESA-N 285.391 3.519 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 437512847 JYJNLDOFYBSHAD-LUKYLMHMSA-N 293.451 3.546 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 438284030 OKACWBVYKLQCKT-SFHVURJKSA-N 298.386 3.849 30 20 CHED C=CCC[C@@H](NCc1ccc(OCC)cc1)C1CC1 439078745 OWAOCLCUTJBMFE-QGZVFWFLSA-N 259.393 3.920 30 20 CHED COc1cc(CN[C@@H]2C[C@@H]2C2CCCCC2)ccc1C#N 440822605 PPZGGSLXLCGXTO-IAGOWNOFSA-N 284.403 3.625 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(C#N)c(OC)c1 442806469 BTGLVFZXWULNIB-UHFFFAOYSA-N 294.398 3.631 30 20 CHED CCCOc1cc(C)ccc1N[C@@H]1CC[C@H](C#N)C1 442876355 QYXFURVYZYHQFH-UONOGXRCSA-N 258.365 3.888 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H](C)CC2CC2)CCCC1(C)C 444975313 LJRAELWRVFJXDP-ZFWWWQNUSA-N 278.440 3.951 30 20 CHED CC#CCCNC(=O)Nc1ccc(OC(C)C)cc1Cl 445035315 UADCROUUJVKZLB-UHFFFAOYSA-N 294.782 3.662 30 20 CHED Cc1cc(CSc2ccccc2O)ccc1C#N 447314355 UUKCDLSMLITCRT-UHFFFAOYSA-N 255.342 3.865 30 20 CHED CC(=O)c1cccc(OCc2ccc(C#N)c(C)c2)c1 447318393 RROKBPQSIKEZJP-UHFFFAOYSA-N 265.312 3.648 30 20 CHED N#C[C@]1(C(=O)NCCCC2CCCC2)CC12CCCC2 448647425 IERURGOAWVDMMZ-KRWDZBQOSA-N 274.408 3.547 30 20 CHED CCCOc1ccc(NC(=O)c2cc(C#N)[nH]c2C)c(C)c1 448761055 IIRIOTBDQAAKTL-UHFFFAOYSA-N 297.358 3.544 30 20 CHED COc1cc(Cl)ccc1CNC1CCC(C)(C#N)CC1 449154695 JBRHOPZXFBLLQZ-UHFFFAOYSA-N 292.810 3.911 30 20 CHED CCC(=O)CCCN(Cc1ccc(C#N)cc1)CC(C)C 450313100 OZBMFZYEFZQUGM-UHFFFAOYSA-N 286.419 3.776 30 20 CHED C=CCCC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 452406588 KSBGBEDOWRRSSC-HOTGVXAUSA-N 257.377 3.653 30 20 CHED CC(C)OCCCC(=O)Nc1ccc(CC#N)cc1Cl 452645260 OCOXAWPLWUSEOL-UHFFFAOYSA-N 294.782 3.550 30 20 CHED C=C(CC)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 453349002 HBSBDRJJWOLPLV-HNNXBMFYSA-N 260.337 3.528 30 20 CHED CC[C@@H](NCc1cnc(C2CC2)o1)c1ccc(C#N)cc1 453359520 OWGRIRCXZFLVSI-MRXNPFEDSA-N 281.359 3.665 30 20 CHED C=C(C)CCNC(=O)N[C@H](c1ccccc1C)C1CC1 455304267 CKRRWWVIHCPITM-INIZCTEOSA-N 272.392 3.712 30 20 CHED C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[C@H]1C 456006878 CKXFZZDBDUCYSJ-HUUCEWRRSA-N 298.430 3.631 30 20 CHED C=CCC1(NC(=O)[C@@H](C)C(C)(F)F)CCCCC1 456373989 WMFANCTWXVPUQY-LLVKDONJSA-N 259.340 3.673 30 20 CHED C=C(CC)CNC(=O)c1cc2cc(C)ccc2nc1C 456831177 SQNNDBLWLPPDOM-UHFFFAOYSA-N 268.360 3.548 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(C)cc(C#N)c1 456971092 STWKWUQKRWJYSG-UHFFFAOYSA-N 286.375 3.568 30 20 CHED C=CCCCNC(=O)N1[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 458719439 IGMNEGNYMFSHKU-TUAOUCFPSA-N 292.345 3.714 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)Nc1ccc(C#N)cc1 459826284 FITDADOWDJUTSX-UHFFFAOYSA-N 293.370 3.891 30 20 CHED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)C1CCCCC1 463233402 NOYVNNQGVIZZQQ-AWEZNQCLSA-N 284.403 3.843 30 20 CHED C=C(C)CN(CC)C(=O)CN[C@H]1CCCCC12CCCC2 463455243 WXFGEHBFBPGHEM-INIZCTEOSA-N 292.467 3.504 30 20 CHED CC#CCCCC(=O)NCCSCc1ccc(C)cc1 464557220 YDRRHUKLOZIVMN-UHFFFAOYSA-N 289.444 3.538 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@@H](CCCC)C(=O)OC(C)(C)C 466306126 IUXPUOYYNOUSTG-KGLIPLIRSA-N 297.439 3.605 30 20 CHED CCC(C)(C)c1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 468740279 VSQSUHXGGFLIKK-UHFFFAOYSA-N 281.359 3.826 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](CC)SC)CCCC1(C)C 470270559 KWCVXYWHQJWMTE-QWHCGFSZSA-N 269.454 3.721 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1noc(CCCC)n1 470915294 YPTZSTPMROSCMQ-UHFFFAOYSA-N 299.418 3.991 30 20 CHED C=CCCCCN[C@@H](C)CC(=O)Nc1ccccc1CC 471593761 NJBOKXYXTWOBGJ-HNNXBMFYSA-N 288.435 3.912 30 20 CHED C=CCCCCNC(=O)CCc1ccc(Cl)c(OC)c1 471671156 LJDFQUPBNZFSQD-UHFFFAOYSA-N 295.810 3.754 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1CCC1CCCC1 483425375 XOTGZAPUIHFMLC-INIZCTEOSA-N 276.424 3.544 30 20 CHED C=CCCCC(=O)NC[C@@H](CC)Oc1cccc(C)c1 488393145 FRBNLOJGXBKGQN-OAHLLOKOSA-N 275.392 3.625 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCOc1ccc(F)cc1 488845833 QQCBACBOTSOOCO-OAHLLOKOSA-N 291.366 3.552 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(OCC)cc1C 489083657 YJPTVXDBAVUDJR-UHFFFAOYSA-N 284.359 3.634 30 20 CHED Cc1cccc(CC(=O)N(CC#N)c2ccccc2)c1Cl 489923419 ZGQCHNAWWHCPEF-UHFFFAOYSA-N 298.773 3.748 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1sccc1C 490081493 AYSAASVBYAPRRO-QWHCGFSZSA-N 277.433 3.879 30 20 CHED C#C[C@@H](CC)NC(=O)c1cc(-c2ccccn2)ccc1Cl 491505733 MSCHKBCIDYWDHK-ZDUSSCGKSA-N 298.773 3.544 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 499820173 ANQMJOIKQVRNIZ-ZQDZILKHSA-N 287.403 3.931 30 20 CHED CCOc1ccc(C#N)cc1NCc1cccc(F)c1F 500994261 BVFOUKMDEVWMQD-UHFFFAOYSA-N 288.297 3.847 30 20 CHED CCN(C(=O)C1C[C@@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 503417177 DTAHZABPZUYGCX-KBPBESRZSA-N 284.403 3.983 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1cc(F)ccc1F 505240957 XDYHMQQQJBMKHG-NSHDSACASA-N 299.386 3.870 30 20 CHED C=C(C)CCN1CC[C@@H](C)N(Cc2ccccc2)CC1 509670857 AMWYZDXHLWMRKZ-QGZVFWFLSA-N 272.436 3.549 30 20 CHED CCCc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 516782900 ZFAVBWVLVZSIOY-UHFFFAOYSA-N 264.328 3.763 30 20 CHED CC(C)(C)CCC[S@](=O)c1cccc(F)c1C#N 518397851 WRKNQYDQMSAFFC-SFHVURJKSA-N 267.369 3.631 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@@H](F)C2)c1 519707400 FLVXJLHGHWTPQG-CHWSQXEVSA-N 292.354 3.654 30 20 CHED C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(CC#N)CC1 527053367 IWUXDBYPZAFZKK-SDNWHVSQSA-N 299.374 3.624 30 20 CHED CC(C)CCc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1 531120437 URTODMUKKNIYBH-UHFFFAOYSA-N 281.359 3.727 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](c1ccccc1)C(C)C)OCC 533703584 GPPBPQLWNQDGNB-FUHWJXTLSA-N 289.419 3.871 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(-n2cccn2)c1 537235626 IMHMQSZOSWOMNX-CQSZACIVSA-N 298.390 3.739 30 20 CHED Cc1ccccc1C[C@@H]1CCCN1CCC(C)(C)C#N 539567248 FITMGYHGLBYJSD-KRWDZBQOSA-N 270.420 3.942 30 20 CHED C=CCCOCCCCC(=O)N(C)C1CCCCCC1 540466839 JHOBBZATSAIISR-UHFFFAOYSA-N 281.440 3.931 30 20 CHED N#CC1(CN[C@H](c2ccccc2)C2CCCC2)CC1 540551883 STPWAKXMUCFUSV-MRXNPFEDSA-N 254.377 3.811 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1c1cccc(C#N)n1 541207039 FXYXKFFGOPSCNI-ZBFHGGJFSA-N 277.371 3.726 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ncc(C(C)(C)C)o1 543708797 CPCDZHUQJIGANN-LBPRGKRZSA-N 293.411 3.516 30 20 CHED CC#CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 543981491 ZLASMHSWWMUBOV-KRWDZBQOSA-N 284.790 3.632 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@H](C)CCC(C)(C)C 544426155 KODDUVFUFPZSAP-GFCCVEGCSA-N 288.391 3.968 30 20 CHED CC#CCN[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 544462063 NDNIPCDLDPPOPB-NEPJUHHUSA-N 269.310 3.810 30 20 CHED COCC[C@@H](Cc1cccc(F)c1)Nc1cccc(C#N)c1 545015443 ZVFQALZRRQSREV-SFHVURJKSA-N 298.361 3.757 30 20 CHED C=CCCCCNC(=O)NCc1ccc([C@H]2C[C@H]2C)o1 546027166 VRXMAPVXVXAVSK-OCCSQVGLSA-N 276.380 3.559 30 20 CHED CC#CCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 546630822 HBYSMYRFCUBIHP-JYJNAYRXSA-N 261.409 3.607 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@](C)(CC)C1 549262022 IMBFOBKMZUEANZ-KRWDZBQOSA-N 290.455 3.679 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1c1ccnc(C#N)c1 553562471 PUACMKPLVWXUFL-ZBFHGGJFSA-N 277.371 3.726 30 20 CHED N#Cc1cncc(N[C@@H](c2ccc(F)cc2)C2CCCC2)n1 557634806 KORMOTDLTDQLJG-QGZVFWFLSA-N 296.349 3.831 30 20 CHED C[C@H]1CC[C@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 558059803 GGUJYJXYMUSFPA-STQMWFEESA-N 274.339 3.509 30 20 CHED C[C@H]1CCN(c2cc(C#N)ccn2)CC12CCCCC2 561269523 RUUDAXONXHZWAS-AWEZNQCLSA-N 269.392 3.750 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(OC)c(O)c1 561575975 JSNVQKFFOLDLGH-CYBMUJFWSA-N 263.381 3.625 30 20 CHED Cn1ncc2ccc(CNc3ccc(Cl)cc3C#N)cc21 565396415 LLSXBAWOSLPPRI-UHFFFAOYSA-N 296.761 3.710 30 20 CHED COc1cccc2c1CCC[C@@H]2NCc1ccc(C#N)s1 566083063 PVHXCEGGHBOJKO-INIZCTEOSA-N 298.411 3.796 30 20 CHED Cc1ccccc1C(C)(C)C(=O)N1CCC(CCC#N)CC1 566679745 FGGJSSOZPJMJRW-UHFFFAOYSA-N 298.430 3.815 30 20 CHED CCCOc1ccc(-c2cccc(C(=O)O)c2)cc1C#N 566800146 UXLZAOFAEMIOLI-UHFFFAOYSA-N 281.311 3.712 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cccc2c1ccn2CC(C)C 568705169 PGYUXSLZGHTZTP-AWEZNQCLSA-N 297.402 3.719 30 20 CHED CCc1ccc(CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 569978748 IALFCRUJZDTYEY-UHFFFAOYSA-N 298.773 3.955 30 20 CHED C=CCCCCN[C@H](C)Cc1ccc(OC)c(OC)c1C 570536545 NHKJDHBLFHBGGD-CQSZACIVSA-N 291.435 3.889 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)[C@@]23CCC[C@H]2C3)cc1 576623817 DUPLRNSVWVFVGT-KBXCAEBGSA-N 298.386 3.522 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(C)c(C)o2)cc1 577290759 XMQSJIAVTXOWJB-MRXNPFEDSA-N 296.370 3.796 30 20 CHED C=CCCCCN[C@H](C)[C@@H]1OCCc2sccc21 578293484 ZPTBEANAYJILKX-DOMZBBRYSA-N 265.422 3.696 30 20 CHED C=CCN(C(=O)CCCc1ccc(SC)cc1)C1CC1 578895037 ZEOYMBSEPHQXQC-UHFFFAOYSA-N 289.444 3.908 30 20 CHED C=C[C@H]1CCCCN1CCCCN1CCCC[C@@H]1C=C 581107548 JSUBJMFIRWCPJT-ROUUACIJSA-N 276.468 3.848 30 20 CHED C=CCCCCCN1C[C@@H](c2cnn(C)c2)C(C)(C)C1 582554058 AJSIXBASSQARLB-INIZCTEOSA-N 275.440 3.592 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(N2CCCC2)cn1 582683828 LUEFCHOKCMPDRU-UONOGXRCSA-N 259.397 3.694 30 20 CHED Cc1ccc(F)cc1CON=Cc1ccc(F)cc1 588547066 HIKCRULNBDJTAA-UHFFFAOYSA-N 261.271 3.824 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCc1cc(F)cc(F)c1)CC2 589337653 DBVTUVLTZDJYQR-SFHVURJKSA-N 298.336 3.656 30 20 CHED CCn1nccc1-c1cccc(CC(C)(C)C#N)c1 592985362 GLTZZAJBUDSYQN-UHFFFAOYSA-N 253.349 3.662 30 20 CHED N#Cc1c(Cl)cccc1N1CCC[C@H](OC2CCC2)C1 594595362 WFEOYTCENGHNEO-ZDUSSCGKSA-N 290.794 3.750 30 20 CHED C=CCCSCCN[C@@H](C)c1nc2c(s1)CCCC2 595058332 HSYLHUMXTRLGDY-LBPRGKRZSA-N 296.505 3.982 30 20 CHED CC(C)(C)OC1CCN([C@H](C#N)c2ccccc2)CC1 595345239 RHWNHLAAXJNITH-MRXNPFEDSA-N 272.392 3.531 30 20 CHED Cc1cccnc1[C@@H](N[C@H](C#N)c1ccccc1)C(C)C 595370994 MRGHOHLYUNAFFK-SJORKVTESA-N 279.387 3.942 30 20 CHED CCO[C@H](CC)c1noc(/C=C\c2cccc(C#N)c2)n1 596615691 KYQPENRXUUGXLZ-QIAWRQBBSA-N 283.331 3.599 30 20 CHED N#Cc1c(F)cccc1-c1cccc(CO[C@@H]2CCOC2)c1 596639698 SFJJPXFIEMFLBH-OAHLLOKOSA-N 297.329 3.670 30 20 CHED CCCOc1ccc(CNCC2(C#N)CCC2)c(C)c1 597156079 YBEPJIBGOYEBJI-UHFFFAOYSA-N 272.392 3.567 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc3cc(Cl)cnc3o2)C1 597175762 DNAIUJWFOHTZDF-NSHDSACASA-N 289.766 3.607 30 20 CHED CC1(C)CC(CNC(=O)CCCC#N)CC(C)(C)C1 598141846 XMUZYQASGLFRRS-UHFFFAOYSA-N 264.413 3.649 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N[C@H](C#N)C1CCCCC1 599629977 PTQVDTDREQTZIF-MAUKXSAKSA-N 298.430 3.762 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1cnc(C2CC2)o1 600139278 KPJKVGXMFBFUQZ-UHFFFAOYSA-N 297.358 3.823 30 20 CHED Cc1cccc2c1CCN2Cc1cc(F)ccc1C#N 600849568 RCVDNPGTXXMXLT-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C[C@H](CCC#N)CN(Cc1ccccc1F)C1CC1 602437035 QNCNWGZHBUNTRE-CYBMUJFWSA-N 260.356 3.730 30 20 CHED C[C@H](CCC#N)CN(C)CCOc1ccccc1Cl 602437900 YUXMONTVIIWXOA-CYBMUJFWSA-N 280.799 3.590 30 20 CHED C[C@@H](CCC#N)CNC[C@@H](C)Oc1ccc(Cl)cc1 602567695 NCPKYFSSDZEYRH-QWHCGFSZSA-N 280.799 3.637 30 20 CHED CC[C@H](NC(=O)c1sccc1C#N)C1CCCCC1 604570150 LPFIRNPSYSJHEO-ZDUSSCGKSA-N 276.405 3.708 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 604880548 XOENGHIVQXEKAF-ZIAGYGMSSA-N 289.419 3.832 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1cc(C#N)cs1)CC2 610488720 CLFXORJSADJGPH-MRXNPFEDSA-N 268.385 3.705 30 20 CHED N#CCc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1 612094664 NYDABKJKPJGNDJ-LJQANCHMSA-N 292.382 3.795 30 20 CHED CCCCN(C(=O)NCCCC#N)[C@@H](C)c1ccc(C)o1 612161274 RCYZLOBYOPSKPZ-AWEZNQCLSA-N 291.395 3.765 30 20 CHED CC[C@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N 613420479 BBUFTTGNBMJYJU-ZDUSSCGKSA-N 257.381 3.630 30 20 CHED Cc1ccccc1[C@H](NC(=O)CC#N)C1CCC(C)CC1 613952439 JXNLYTMHRDUIOZ-LEHRNKBSSA-N 284.403 3.892 30 20 CHED Cc1c(Cl)ccc2ccc(N3CC[C@@](F)(C#N)C3)nc12 615531806 SGSQCVVAURXQGZ-OAHLLOKOSA-N 289.741 3.639 30 20 CHED C=CCCNC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 617617412 FUMKMCIXYUHPBL-KBPBESRZSA-N 257.377 3.668 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2F)C1 617781285 JKIRHBDHIMPGEE-CYBMUJFWSA-N 293.357 3.712 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 619161298 OMYFSWTVCIWAAH-GXTWGEPZSA-N 277.795 3.914 30 20 CHED C=CCN(C(=O)Cc1ccc(C)c(C)c1)C(C)(C)C 622942965 IKTPVQURBFCQNQ-UHFFFAOYSA-N 259.393 3.659 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](OC)c1ccccc1Cl 645802311 ODSQUNDMWLXVQG-AWEZNQCLSA-N 295.810 3.746 30 20 CHED C=CCC1(NCc2ccc(C3CC3)cc2)CCOCC1 657635143 XHIABWDMWNFGSH-UHFFFAOYSA-N 271.404 3.779 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCc1csc(C)n1 657832702 MEMXMFANQNJPST-HIFRSBDPSA-N 264.438 3.719 30 20 CHED C=CCC1(CNC(=O)c2c(C)cncc2C)CCCC1 661876794 ISUMARQGKLMUGN-UHFFFAOYSA-N 272.392 3.565 30 20 CHED C=CCN(C(=O)Nc1c(C)cccc1CC)[C@@H](C)COC 665126855 YJPSZLYHYFTHJU-AWEZNQCLSA-N 290.407 3.612 30 20 CHED C=CC1CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1 668570268 SCPCOZKTVBHNAH-UHFFFAOYSA-N 289.341 3.924 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CCC(F)(F)C1)c1ccccc1 681666335 SNTIRCJGTJVKMP-KBPBESRZSA-N 279.330 3.650 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 693075707 MQVYBUZVTIHXMC-QGZVFWFLSA-N 278.440 3.990 30 20 CHED C=CCCC(C)(C)CNc1ncc(C(=O)O)cc1Cl 703989386 KMIIDCNOGSFMOE-UHFFFAOYSA-N 282.771 3.838 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C12CCC(CC1)CC2 710085452 HYEWXPJXCHQJCT-UHFFFAOYSA-N 268.360 3.776 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 723606987 FOJOSJKAWGZYNT-ARFHVFGLSA-N 261.409 3.655 30 20 CHED C#Cc1cccc(NC(=S)NCC2CCC(C)CC2)c1 726474300 BTQCOAOYFPPVNP-UHFFFAOYSA-N 286.444 3.781 30 20 CHED CC(=O)c1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)s1 727640281 FBCFCYMFUCNAKJ-LLVKDONJSA-N 299.351 3.740 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2cccs2)c1 727744408 GKLMTPLFAVDDGK-VOTSOKGWSA-N 269.325 3.547 30 20 CHED Oc1ccccc1/C=N\C1CC(c2ccccc2)C1 728226505 RDMMWKXMPCUKCW-PDGQHHTCSA-N 251.329 3.757 30 20 CHED C#Cc1cccc(N(CC)C(=S)Nc2ccccc2)c1 728447560 IAGJYMVDXCRYBR-UHFFFAOYSA-N 280.396 3.891 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)Oc2c(Cl)cccc21 729149822 HBBCSYYQJWGVKC-DHDCSXOGSA-N 298.725 3.891 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C/c1cccs1 729433358 PXKIXXLPTLJWBA-CMDGGOBGSA-N 290.432 3.940 30 20 CHED CC(C)=CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 730092621 MXUFCSRRPHCXHR-NSHDSACASA-N 283.158 3.640 30 20 CHED Oc1cccc(/C=N\CCCc2c[nH]c3ccccc23)c1O 730732918 REOXRBYZTNCMBX-ODLFYWEKSA-N 294.354 3.631 30 20 CHED CCCCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 735791852 CLXVEGFNRDWFKW-GFCCVEGCSA-N 269.348 3.628 30 20 CHED C[C@@H]1C[C@@H]1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739594819 RMSBKPXHGXFHCN-ABAIWWIYSA-N 296.395 3.559 30 20 CHED CC(=O)c1csc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1 741114718 FYXLMYAKNPKVRS-NSHDSACASA-N 299.351 3.740 30 20 CHED C=CCN(Cc1ncc(-c2ccccc2F)o1)C(C)C 741776780 FLFNXTHLQPBXBJ-UHFFFAOYSA-N 274.339 3.877 30 20 CHED Cc1ccccc1O[C@H](C)C/N=C/c1ccccc1O 741843030 IJYRONZDJBMYFN-CRRKTRLDSA-N 269.344 3.587 30 20 CHED CCCCCC[C@H](C)C(=O)N(CCC#N)CC(C)C 742057379 NRPMUTFNAANZPG-HNNXBMFYSA-N 266.429 3.991 30 20 CHED N#CCOc1ccc(CNc2c(Cl)cccc2C#N)cc1 742401318 SFQQIGUKFBYKES-UHFFFAOYSA-N 297.745 3.726 30 20 CHED Cc1ccc(N2CCC[C@@H](Nc3ccc(C#N)cc3)C2)cc1 742422630 ZEBOOBFMJCQDEW-GOSISDBHSA-N 291.398 3.948 30 20 CHED C=CCN(C(=O)[C@@H](C)CCc1cccc(F)c1)C(C)C 742638883 MROFQBXDQKZRMR-AWEZNQCLSA-N 277.383 3.817 30 20 CHED CCC/C=C\C(=O)[C@H](C#N)c1nc(C(C)C)cs1 747193688 NCCKAGQHRSRKCU-ZADCQDASSA-N 262.378 3.799 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)OCC(=O)c1ccc(C#N)cc1 748260285 ZXFRPOXWTOAYPQ-CJNGLKHVSA-N 299.370 3.501 30 20 CHED O=C(/C=C\c1ccc(O)cc1)c1c[nH]c2cc(F)ccc12 749454347 YMXUHZCFLKYYJJ-BAQGIRSFSA-N 281.286 3.909 30 20 CHED N#Cc1ccc(C(=O)OCc2cnc3ccccc3c2)s1 750707728 YTABPFJSQVOCKA-UHFFFAOYSA-N 294.335 3.525 30 20 CHED Cc1cc(F)ccc1NN=Cc1cnc(Cl)c(C)c1 750938365 GNSOJLCMQZENPU-UHFFFAOYSA-N 277.730 3.937 30 20 CHED C[C@H](C#N)CNN=Cc1ccc(Sc2ccccc2)cc1 753929177 PHXDSOJDQBUAMI-CQSZACIVSA-N 295.411 3.921 30 20 CHED C#C[C@@H](CC)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F 754390694 ZFCJMEKUSZORDL-RYUDHWBXSA-N 297.320 3.727 30 20 CHED Clc1cnc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)c(Cl)c1 755542325 OYOCVZNCFXEDOE-LPEHRKFASA-N 282.174 3.998 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@H]2C)c1 756117115 GLRHBOKVHAFGHH-FRFSOERESA-N 272.392 3.646 30 20 CHED C=CCC[C@@H](NCC1CCC(C(C)(C)C)CC1)C(=O)O 756386197 HHARXTFYQKLGFY-YMAMQOFZSA-N 281.440 3.848 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1cc(F)ccc1F 757474350 KZRSLXIVOQGZIR-ORCRQEGFSA-N 286.277 3.796 30 20 CHED CN1CCCC(=NNc2ccc(Cl)cc2Cl)CC1 758094857 GJSHVKRFMQSZNE-UHFFFAOYSA-N 286.206 3.877 30 20 CHED C=CCn1c(SCOCC)nnc1-c1ccccc1C 758410075 GAQVLDVMEVNYLF-UHFFFAOYSA-N 289.404 3.526 30 20 CHED C#CCCc1noc([C@@H](C)SCc2ccccc2)n1 762009286 NBQCRJCSKJEXOJ-GFCCVEGCSA-N 272.373 3.630 30 20 CHED CC1(C)C(=NNCc2ccc(Cl)cc2)[C@@H]2CCCO[C@@H]21 764719528 ZJCMCYBNAAATSA-ZFWWWQNUSA-N 292.810 3.621 30 20 CHED C[C@H]1CCCCC1=NNCc1cnc2ccccc2c1 764778276 IYAMFKJFPLCZOK-ZDUSSCGKSA-N 267.376 3.891 30 20 CHED C=CC[C@@H](C)C(C)=NNc1ncnc2ccsc12 764840841 LRNVOJUTXBJNBY-SECBINFHSA-N 260.366 3.691 30 20 CHED FC(F)(F)c1ccc(CON=CC[C@@H]2CCOC2)cc1 765584715 QQMOVJBEXROZGX-GFCCVEGCSA-N 287.281 3.634 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(Cl)c(F)c2)cc1 765913001 PQTMSDLKMGGDRT-UHFFFAOYSA-N 275.666 3.570 30 20 CHED N#Cc1ccc(NN=C2CC(C(F)F)C2)cc1Cl 766027722 XLVDPOVQRUDVRF-UHFFFAOYSA-N 269.682 3.655 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCC[C@@](C)(O)C1 766771929 MXKQWJNOTHHFCH-DOTOQJQBSA-N 298.471 3.539 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)c1cccc(C)c1 767152090 JEAYGPCKRZBQBH-ZDUSSCGKSA-N 297.320 3.513 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2ccccc2C)cc1 767731434 YZJMSUSAALSWQJ-QXMHVHEDSA-N 280.323 3.678 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNC(=S)Nc1ccccn1 767802984 FVJOELFSXYALDT-LLVKDONJSA-N 290.436 3.570 30 20 CHED Fc1cc(Cl)c(NN=Cc2ccccn2)c(Cl)c1 767910949 YWUBULRCZDUSRG-UHFFFAOYSA-N 284.121 3.974 30 20 CHED N#CC1(COC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 768096168 BYFYJVPTVPFPAO-QWRGUYRKSA-N 289.297 3.592 30 20 CHED CC(=NNc1c(F)cccc1F)c1sccc1O 769788895 CRPRPZITJHYKMM-UHFFFAOYSA-N 268.288 3.568 30 20 CHED CCCCNN=Cc1ccc(Cl)cc1Br 769796583 JVQIXORRGCHHOD-UHFFFAOYSA-N 289.604 3.826 30 20 CHED CC(CCc1ccccc1)=NNCc1ccc(C#N)cc1 769820574 IFLYMGUKFDJUOT-UHFFFAOYSA-N 277.371 3.657 30 20 CHED Cc1c(C#N)cccc1NCc1ncc(C(C)C)o1 769851948 QJAQENDBMUGMJZ-UHFFFAOYSA-N 255.321 3.590 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1[N+](=O)[O-] 770564811 AJKMCVAKNYWLRG-CLFYSBASSA-N 297.310 3.808 30 20 CHED O=C(O)c1ccccc1NN=Cc1cscc1Cl 771885304 RGJFAPDQPFYUKY-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CCCCCCCCN[C@H]1CCN(CC)C[C@@H]1C 772948027 DHVCHRFBBCZGDN-HOTGVXAUSA-N 254.462 3.667 30 20 CHED CCCCCCCC(=O)Nc1cc(O)c(Cl)cn1 774293555 TUTXLFNYUNNPPW-UHFFFAOYSA-N 270.760 3.740 30 20 CHED CC(=NOC1CCCC1)c1cc(F)c(F)c(F)c1 774603093 LGOGZMHDWVLLJP-UHFFFAOYSA-N 257.255 3.787 30 20 CHED C(=NOC1CCCC1)c1cccc(OCc2ccccn2)c1 774606806 ATYLQSDGNBRIJK-UHFFFAOYSA-N 296.370 3.954 30 20 CHED C[C@@H]1CCC[C@H](COC(=O)Cc2ccccc2CC#N)C1 777164154 LNQIVLCVTNKLPZ-CABCVRRESA-N 285.387 3.665 30 20 CHED CCCCc1nc(C=NOCCC(F)(F)F)c(Cl)[nH]1 777462643 GAKSBDIRZQFTOC-UHFFFAOYSA-N 297.708 3.709 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1cccs1 777912664 WPTDAKDKSBAAJA-GQCTYLIASA-N 277.276 3.692 30 20 CHED CC(C)n1cc2c(n1)[C@@H](NCc1cccc(C#N)c1)CCC2 780408495 KPXSIJKGXBHROY-KRWDZBQOSA-N 294.402 3.503 30 20 CHED N#CC1(COC(=O)c2cc3c(s2)CCC3)CCCCC1 780482911 CVIIDGQEULMOLN-UHFFFAOYSA-N 289.400 3.868 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1c(C)nn(C(C)C)c1C 782285664 BZKBKZBIFVODLR-OAHLLOKOSA-N 290.455 3.973 30 20 CHED Cc1cc(COC(=O)C(C)(C)c2ccccc2)ccc1C#N 782368377 DJBVKBXHEYDNGX-UHFFFAOYSA-N 293.366 3.888 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NNCCC(C)(C)C 782906889 GCCQXFRQQXYYBH-UHFFFAOYSA-N 284.407 3.540 30 20 CHED Cc1cc(Cn2ccc(-c3ccc(C#N)cc3)n2)ccc1C#N 783030016 SWWXYLUFXQXIRR-UHFFFAOYSA-N 298.349 3.650 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc(F)c1Cl 783938362 LDMURGUOWVSIPW-UHFFFAOYSA-N 283.730 3.966 30 20 CHED C=CCCN(C)C(=S)Nc1ccc(OC)c(Cl)c1 786082530 IQQSWYGMARIVGS-UHFFFAOYSA-N 284.812 3.553 30 20 CHED C=C[C@@H](C)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786505714 ZWRFKYOAHQHLPY-NWDGAFQWSA-N 257.333 3.779 30 20 CHED CN(Cc1ccc(C#N)cn1)c1ccc(C(C)(C)C)cc1 788012100 GQRVYJKWCJXTHV-UHFFFAOYSA-N 279.387 3.887 30 20 CHED CC1(C)CC(=NNCCc2ccncc2)CC(C)(C)C1 789097885 MTFFRQXXBUXGQA-UHFFFAOYSA-N 273.424 3.806 30 20 CHED Cn1ccnc1NN=C1CCC(C)(c2ccccc2)CC1 790299880 JMFKDMUIPPYLCM-UHFFFAOYSA-N 282.391 3.720 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C/c1ccc(O)c(O)c1O)CCC2 793664978 CJAPRIZTYGEZRH-GDXCHIGESA-N 297.354 3.608 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2ccnc(F)c2)c1 794720579 RZAZFDAXYRLGGS-WAYWQWQTSA-N 255.292 3.734 30 20 CHED Clc1cccnc1NN=C1CCC[C@H]1c1ccccn1 794896956 ONWFXWFNDDEGCL-NSHDSACASA-N 286.766 3.866 30 20 CHED Fc1cc(F)c(NN=C[C@@H]2CCCSC2)cc1F 794909360 QYMDZEOUWQDRMX-QMMMGPOBSA-N 274.311 3.645 30 20 CHED Fc1ccccc1CCNN=C1CCC[C@H]1c1ccccn1 794918306 SELJYDZHOKVQFG-HNNXBMFYSA-N 297.377 3.677 30 20 CHED COCCCON=Cc1ccc(-c2ccccc2F)s1 795056137 TVZMIGUEZQBDKP-UHFFFAOYSA-N 293.363 3.941 30 20 CHED CCC[C@@H](C)OC(=O)C[C@H](CC#N)c1ccccc1 795983132 URCLJXSUPBJBFI-HIFRSBDPSA-N 259.349 3.806 30 20 CHED C=CC[C@H](CC)NC(=O)C(F)(F)c1c(F)cccc1F 798550912 HUJXZZYFJBBNAT-VIFPVBQESA-N 289.272 3.528 30 20 CHED C=C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(C)(C)C 798902685 HIMXAULGLJMBPA-MRXNPFEDSA-N 296.370 3.922 30 20 CHED C#C[C@H](NC(=O)c1ccc(SC(C)C)cc1)C(C)C 799047137 REFXUDIHUNCNOY-HNNXBMFYSA-N 275.417 3.575 30 20 CHED C[C@H]1CN(CCCC2(C#N)CCOCC2)Cc2ccccc21 799108772 JDYWYNBHQUPOLB-INIZCTEOSA-N 298.430 3.706 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@H](C)C(C)(C)C 799439989 BDEDGQHPHPZZFN-NSHDSACASA-N 259.349 3.708 30 20 CHED CC(COC(C)C)=NNc1nc2ccccc2cc1C 799883752 PDGHFWNNUJPEDA-UHFFFAOYSA-N 271.364 3.756 30 20 CHED Cc1cc(F)ccc1NN=C1CCCC12CCOCC2 799885520 YIPQDOIDJOOUGE-UHFFFAOYSA-N 276.355 3.883 30 20 CHED Cc1c([N+](=O)[O-])ccc(F)c1NCc1ccccc1C#N 799971735 ULHVNFMEHPWAGC-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1CCCC(F)(F)C1 800278351 RSULYWMMYCMKRC-NSHDSACASA-N 273.323 3.685 30 20 CHED N#CCOC(=O)c1ccc(-c2cccc3cccnc23)cc1 803894764 AXVITOIYJYOHPY-UHFFFAOYSA-N 288.306 3.582 30 20 CHED C=CCCCCCCNC(=O)c1cccc(COC)c1 805219857 YPJDZRIQLIWKDE-UHFFFAOYSA-N 275.392 3.699 30 20 CHED C=CCCCCCCNC(=O)C[C@@H](C)c1ccncc1 805221547 PITXAFXLRBAENT-OAHLLOKOSA-N 274.408 3.828 30 20 CHED C=C(C)CNC(=S)N1CC(C)(C)[C@H]1c1cccs1 806604836 FZDMYNGNUQKIIF-GFCCVEGCSA-N 280.462 3.582 30 20 CHED N#CCCCCCC(=O)Nc1ccc2nc(S)oc2c1 807075517 BNJGWWXNCQLEOA-UHFFFAOYSA-N 289.360 3.529 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@@H]1CC[C@@H](C)C1 807989640 OQFKHSYJTWFFMU-ZYHUDNBSSA-N 261.325 3.737 30 20 CHED CCOc1ccc(C=NNc2nccnc2C2CCC2)cc1 807992374 HXVBVQYDJYQGEC-UHFFFAOYSA-N 296.374 3.589 30 20 CHED C=CCC[C@H](C(=O)OCc1ncc(C)cn1)c1ccccc1 808538980 MZAYESBXGUQNFI-INIZCTEOSA-N 296.370 3.578 30 20 CHED CC(C)c1cccc2c1OCC/C(=C/c1cnccn1)C2=O 809157115 HYSBVKQKYHIBPZ-RAXLEYEMSA-N 294.354 3.649 30 20 CHED C[C@@H]1/C(=C/c2cccc3c2OCCO3)C(=O)c2ccccc21 809158487 ATIIRVXMYMZUEH-IEMQHYRPSA-N 292.334 3.841 30 20 CHED CC(=O)c1cc(F)ccc1NCc1ccc(C#N)cc1 809354388 NZHKNGFAAYOQTE-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(C)(CC(C)C)CC1 811531699 AEYIWHAWJNRFHM-UHFFFAOYSA-N 263.425 3.711 30 20 CHED CC[C@H](C)Oc1cc(C=NOC/C=C\Cl)ccc1OC 811668949 LCMNKCNRGGQUDC-LSZJWGRASA-N 297.782 3.976 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)C(C)(C)n1cncn1 812232542 IUCLDDRNTASTPF-UHFFFAOYSA-N 299.422 3.933 30 20 CHED CCCCCC[C@@H](CC)C(=O)N[C@](C)(C#N)CSC 813248650 WQXSTFIICOCYKD-UKRRQHHQSA-N 284.469 3.744 30 20 CHED CC(C)[C@@H]1CC(=NNc2nncc3ccccc23)CS1 814706335 XVCCRFHCCQUUEF-AWEZNQCLSA-N 286.404 3.559 30 20 CHED C[C@H](C=NNc1ccccc1C(=O)O)C1CCCCC1 814768387 USZWLNQYMISVER-GFCCVEGCSA-N 274.364 3.999 30 20 CHED COC[C@@H](C)NN=C1CCCC[C@H]1C1CCCCC1 814895554 OACCIFGKDIARAU-HIFRSBDPSA-N 266.429 3.737 30 20 CHED CCc1cccc(C)c1NN=C1CC[C@H](CC(=O)O)[C@@H]1C 814923295 ONSDONBSIDEGBW-GXTWGEPZSA-N 288.391 3.846 30 20 CHED CCCCCCCCC(=O)NCC1CC(F)(F)C1 816719779 LQXVXXLHNSJRFC-UHFFFAOYSA-N 261.356 3.899 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC)CCC 822870509 FQLFAJZDWZMFRI-CQSZACIVSA-N 293.407 3.503 30 20 CHED C=CCC1(NC(=O)OCC(F)(F)F)CCCCC1 832437655 KEMJJSYOQNHMPI-UHFFFAOYSA-N 265.275 3.554 30 20 CHED C/C(C=NN[C@@H](C)C(F)(F)F)=C\c1ccccc1 834997357 XTARCFREJHFKPK-LBOFKVNNSA-N 256.271 3.616 30 20 CHED C[C@H](NN=Cc1csc(Cl)c1Cl)C(F)(F)F 834997531 DGWBBOCCYZMUJA-BYPYZUCNSA-N 291.125 3.929 30 20 CHED CC(C)c1ccc(NN=Cc2cnc([C@H](C)O)s2)cc1 835018333 LVZYQNFSBPQISE-NSHDSACASA-N 289.404 3.766 30 20 CHED C=C[C@@H](CC(=O)OC[C@@H](C)SC)c1ccccc1 835686696 ZAZAUIYKLLYYMM-OLZOCXBDSA-N 264.390 3.641 30 20 CHED C=CC(C)(C)COC(=O)c1cccc2cnccc12 835724365 JKGKLDYIJBJLFD-UHFFFAOYSA-N 255.317 3.604 30 20 CHED C=CCCCC(=O)NC[C@@H](C)Cc1ccc(OCC)cc1 837223338 IUUBQSMLONISQZ-HNNXBMFYSA-N 289.419 3.736 30 20 CHED CC(C)CCCCC(=O)[C@H](C#N)c1nc2ccccc2n1C 838784451 QLPPOOSLJFQPOU-AWEZNQCLSA-N 297.402 3.966 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)C2CCC2)n1 838812235 UWFPSPPSYHWDIS-JQWIXIFHSA-N 276.405 3.879 30 20 CHED COc1ccccc1/C(C)=C\C(=O)O[C@@H]1CCC[C@H](C#N)C1 839056225 ZSLFCEOGQHDSIS-ZKHYDWRDSA-N 299.370 3.724 30 20 CHED Cc1ccc([C@H](C)NCC(C)(C)CC#N)c(O)c1C 840788276 XQPQOCFTNNNBEQ-ZDUSSCGKSA-N 260.381 3.600 30 20 CHED CC(CCCCC#N)=NNc1cc(Cl)ccn1 841634692 WZWMUJFESCEFTK-UHFFFAOYSA-N 250.733 3.607 30 20 CHED C#C[C@@H](OC(=O)CC(C)(C)OC)c1ccc(Cl)cc1F 842353513 NKQZBWDGRZEYMZ-CYBMUJFWSA-N 298.741 3.512 30 20 CHED CC1(C)C(=NNc2ccc3c(=O)[nH]ccc3c2)[C@H]2CCC[C@H]21 853343131 XJVKANBTQPTZFH-LSDHHAIUSA-N 295.386 3.752 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 860189602 KJTVFRBIRNYAGE-HEHGZKQESA-N 263.381 3.686 30 20 CHED CCCCCCCNC(=O)Nc1ccccc1COC 860441179 OFMBOIZDLKTSDP-UHFFFAOYSA-N 278.396 3.925 30 20 CHED FCC[C@H]1CCCC1=NNCCCOCc1ccccc1 863177726 QJNPPLOYYCQJII-MRXNPFEDSA-N 292.398 3.699 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCc2ccc(Cl)cc21 863634464 NNYJIYDSWJKJRH-LBPRGKRZSA-N 285.721 3.655 30 20 CHED Cc1cccc(Cl)c1NC(=O)[C@H](C)SCCC#N 865370265 KJGPEHQGUJASCD-JTQLQIEISA-N 282.796 3.622 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2C[C@H]2c2ccco2)n1 867019006 FOHLGJKFBZAXGK-GHMZBOCLSA-N 258.321 3.787 30 20 CHED C=CCCCCCCNC(=O)Cc1cccnc1Cl 868329085 NTCXYVFVHZYVFE-UHFFFAOYSA-N 280.799 3.530 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(F)c1F 870428748 MAEWTYILPNFZOT-MNOVXSKESA-N 279.286 3.512 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](c2c(F)cccc2F)C1 877399253 LLGKRYJSLVFUMJ-QWHCGFSZSA-N 278.346 3.694 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 879413471 OWPWNNIVDNZHES-CABCVRRESA-N 281.440 3.689 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc([S@](C)(=O)=NC)c1 895736083 PLQWEOUPWRBOST-QUJCMNEKSA-N 280.437 3.786 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2nc(C)c[nH]2)cc1 898385396 NPLVVOPLCQVLRM-UHFFFAOYSA-N 281.359 3.517 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc(F)c(F)c1 901318067 QIKGBGMGFJQYGO-SNVBAGLBSA-N 268.307 3.569 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1c(O)cccc1F 901561039 LWVMIGVHKXNFDU-BQYQJAHWSA-N 288.322 3.513 30 20 CHED CC(C)Oc1ccc(/C=C2\C(=O)c3nccn3[C@H]2C)cc1 901561571 USSXVKWOXDDGKY-GQVHDAKQSA-N 282.343 3.511 30 20 CHED C=CCC[C@H](NC[C@@H](CCC)c1ccccc1)C(=O)O 901690525 PKZZBAORBUKMFL-CVEARBPZSA-N 275.392 3.579 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C(=O)O)c1ccc(C)c(C)c1 901846702 WVVVARSBHVBJMM-DUVNUKRYSA-N 275.392 3.619 30 20 CHED Cn1cc(NCC2(CC#N)CC2)c(C2CCCCC2)n1 902213573 OWWOBWOLZCLBAC-UHFFFAOYSA-N 272.396 3.574 30 20 CHED CCSc1ccccc1C(=O)OCCCCC#N 914624452 RPLLZNMXOGUPLS-UHFFFAOYSA-N 263.362 3.649 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)CCCCC)c1 915340239 RFZAKSZWYNSFCQ-ZDUSSCGKSA-N 258.365 3.758 30 20 CHED CCCCCCCCCCC(=O)Nc1ccn(C)n1 915694356 FIKGBCVLQMTXOO-UHFFFAOYSA-N 265.401 3.889 30 20 CHED CC(CCc1ccco1)=NNc1ccc(F)cc1F 917023155 LUWNJVOQYRSNPK-UHFFFAOYSA-N 264.275 3.978 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCCOc2ccc(F)cc21 920174776 QBZDQBUFXUVSTO-BKQORJHRSA-N 285.318 3.864 30 20 CHED Fc1cccc2c1CCC2=NNc1ncccc1Cl 921258244 PTBBGFVCXKRUGG-UHFFFAOYSA-N 275.714 3.637 30 20 CHED COc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1C 930219705 PGXYQDYHBKVKRG-UHFFFAOYSA-N 292.382 3.654 30 20 CHED C[C@@H](c1ccccc1Br)N1CCC[C@H](C#N)C1 932158521 KFDLFGSYSDNLFC-NWDGAFQWSA-N 293.208 3.746 30 20 CHED CC(C)C[C@@H]1CN(C)CCN1CCCCC1(C#N)CCC1 933256977 QIHIGMYKJQJSRF-QGZVFWFLSA-N 291.483 3.513 30 20 CHED O=C(CC#Cc1ccccc1)NC(C1CCC1)C1CCC1 1117559343 NMEWDLCUPCZDCT-UHFFFAOYSA-N 281.399 3.513 30 20 CHED C=C(C)CCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 1120736047 GUSBSYYDAYUTSG-GDBMZVCRSA-N 257.377 3.952 30 20 CHED CC1(C)C[C@@]1(C(=O)Nc1ccc(C#N)cc1)c1ccccc1 1124340837 OOZARFGVFZHYJY-IBGZPJMESA-N 290.366 3.865 30 20 CHED CC[C@H](C)[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)OC 1165764987 XPQRDDLEIQBINJ-TVQRCGJNSA-N 297.807 3.891 30 20 CHED CN(C/C=C/c1cccc(F)c1)Cc1cccc(C#N)c1 1205077791 SVASORIGNYHNBP-XBXARRHUSA-N 280.346 3.843 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)cc1 1275985008 ZITLDHSTIMJWMM-WBVHZDCISA-N 284.403 3.895 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1nccc2ccccc12 1297847766 QVKVOVDCHKEEHD-UHFFFAOYSA-N 287.322 3.667 30 20 CHED O=C(CC#Cc1ccccc1)Nc1nc2ccccc2s1 1319200566 XBCBTBQLNXAZCF-UHFFFAOYSA-N 292.363 3.677 30 20 CHED Cc1cc(C=NNCc2ccc(F)cc2)c(C)s1 1319277954 MKLGRXKXZADPGJ-UHFFFAOYSA-N 262.353 3.628 30 20 CHED CC#CCCN1CC=C(c2c(C)[nH]c3ccccc23)CC1 1320254087 JCGGXDJMPAKQGU-UHFFFAOYSA-N 278.399 3.979 30 20 CHED Cc1cc([C@@H](C)NCCCOc2ccc(C#N)cc2)c(C)o1 1320394900 UODNXBBVHJGDNO-CQSZACIVSA-N 298.386 3.888 30 20 CHED Cc1cc(CSCc2cn3ccccc3n2)ccc1C#N 1321035908 LRBCGGCDQIHHIL-UHFFFAOYSA-N 293.395 3.948 30 20 CHED CC(C)(NC[C@@H](O)c1ccc(C#N)cc1)C1CCCCC1 1326622519 BZNKNIRCASIBFW-QGZVFWFLSA-N 286.419 3.540 30 20 CHED C=CCCCCN1CCC(Nc2ccccc2)CC1 1327984410 GRQHKSODBAROCN-UHFFFAOYSA-N 258.409 3.919 30 20 CHED Cc1cccc2c1CCCN2C(=O)c1csc(C#N)c1 1330562564 CGXMOHRORJCLTE-UHFFFAOYSA-N 282.368 3.521 30 20 CHED CCCCCCCCC(=O)NCc1cc(C2CC2)nn1C 1336151145 JLCRCSSUWSKYPD-UHFFFAOYSA-N 291.439 3.664 30 20 CHED C=C(CC)C(=O)Nc1cccc(COCCOC(C)C)c1 1346360038 LNNQIBDLFBJPHV-UHFFFAOYSA-N 291.391 3.533 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(C)cc(Cl)n1 1347523673 ZZSINZJFEAEGOJ-LBPRGKRZSA-N 278.783 3.614 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1csc(C#N)c1 1352772344 ITRVJTWQYYHBAE-UONOGXRCSA-N 290.432 3.954 30 20 CHED C=CCn1cnnc1SCc1ccccc1SCC 1354150204 XSLSRTGGAIUIBW-UHFFFAOYSA-N 291.445 3.868 30 20 CHED C=C(Cl)Cn1c(N(C)CC2CCC2)nnc1C(C)(C)C 1359156968 UWJBFRVQIMYJOH-UHFFFAOYSA-N 296.846 3.564 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)OCc1cc(C#N)ccc1F 1435411803 COYFKRZIXLSINK-GXTWGEPZSA-N 275.323 3.567 30 20 CHED CC(C)C(CNC(=O)c1ccc(C#N)c(Cl)c1)C(C)C 1435945837 GTJSSXRMTAYBBW-UHFFFAOYSA-N 292.810 3.870 30 20 CHED Cc1nc(C)c(C)c(Sc2ccc(C#N)c(C)c2)n1 1472813916 QYJNZFGZVYDQFN-UHFFFAOYSA-N 269.373 3.733 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1517045586 FGLPGYRHNKLSGF-KLHDSHLOSA-N 299.418 3.686 30 20 CHED C=C[C@@H](C(=O)N(C)[C@@H](C)C1(C)CC1)c1ccccc1 1521244967 YKNPDPOBXXZUGR-DZGCQCFKSA-N 257.377 3.603 30 20 CHED Cc1cc(F)ccc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 1522592250 VARJPSNYFHKNMW-CYBMUJFWSA-N 296.345 3.823 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)CC[C@H](C)c1ccccc1 1526586778 CZDNIBNHLMEYNR-GOEBONIOSA-N 295.386 3.663 30 20 CHED CCC(CC)[C@@H](C)C(=O)N1CCCc2cc(C#N)ccc21 1526759222 FWMKGARZXYEVFH-CYBMUJFWSA-N 284.403 3.910 30 20 CHED N#Cc1cncnc1Oc1ccc(C2CC2)cc1Cl 1559197955 VCZLNYDUHIRXHM-UHFFFAOYSA-N 271.707 3.671 30 20 CHED C=CC[C@H]1CC[C@@H](Nc2ccc(C(=O)O)cc2OC)C1 1588770639 BRHPDTLLOAODCH-WCQYABFASA-N 275.348 3.550 30 20 CHED CC(CC(C)(C)CC(=O)O)=NOCc1ccc(F)cc1 1592444007 HYOUTSQGUHOUAQ-UHFFFAOYSA-N 281.327 3.609 30 20 CHED CCC(CC)CN(CCC#N)C[C@@H]1CCCC[C@H]1C(=O)O 1595111618 QNLRSKWINARSPP-JKSUJKDBSA-N 294.439 3.529 30 20 CHED N#Cc1ccc(SCc2cc(C(=O)O)co2)c(Cl)c1 1601113628 PRSHXJIRIOZLOK-UHFFFAOYSA-N 293.731 3.795 30 20 CHED Cc1cc(NC[C@@H]2C[C@@H]2C)n2c(nc3ccccc32)c1C#N 1611797174 CDKQGVZJYJBHMO-AAEUAGOBSA-N 290.370 3.736 30 20 CHED Cc1cc(N2CCC[C@@H](C(C)(C)C)CC2)ncc1C#N 1611983834 XVRWXSKEANRJPV-OAHLLOKOSA-N 271.408 3.914 30 20 CHED CSc1cc(Cl)ccc1NC(=O)c1ccc(C#N)[nH]1 1632632093 VQFTXRQFODDDAC-UHFFFAOYSA-N 291.763 3.514 30 20 CHED Cc1cc(C)c2c(c1)CN([C@H](C#N)c1ccccc1)CC2 1642762879 MBFDYIGGTQDGNA-LJQANCHMSA-N 276.383 3.926 30 20 CHED Cc1cccc(C)c1CN(C)c1nc(C#N)c(Cl)s1 1643243862 RRWNHSGBIDKLIG-UHFFFAOYSA-N 291.807 3.921 30 20 CHED N#Cc1ccc(SCc2ccc3c[nH]nc3c2)c(F)c1 1643725030 VINKSRADOKOEOP-UHFFFAOYSA-N 283.331 3.866 30 20 CHED COc1ccc(C)cc1CSc1ncc(C#N)cc1F 1655266953 PDQROKYTMIMHIT-UHFFFAOYSA-N 288.347 3.702 30 20 CHED C[C@]1(CNc2ccc(C#N)cn2)CCCc2ccccc21 1655340396 CLSPHSFRARIRGJ-GOSISDBHSA-N 277.371 3.659 30 20 CHED Cc1c(C#N)c(S[C@@H](C)C(C)C)nc2c1CCC2 1656128095 ZHBUQEDWMUWLJU-NSHDSACASA-N 260.406 3.887 30 20 CHED CCc1ccc2c(c1)CCN2Cc1cc(C#N)ccc1OC 1656460496 ABXDKCRJXIQCDT-UHFFFAOYSA-N 292.382 3.692 30 20 CHED Cc1cc(Cl)cc(C=NNc2ccc(C(=O)O)cc2)c1 1776013137 KMAUORVTDLVJAZ-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC(C)(C)c1cncc(C=NNc2ccc(C(=O)O)cc2)c1 1776013609 HHHJIAHWHYMVPQ-UHFFFAOYSA-N 297.358 3.523 30 20 CHED CC(C)(C)C1CCN(N=Cc2sccc2C(=O)O)CC1 1776057883 NEFKLEWKOWKYIR-UHFFFAOYSA-N 294.420 3.538 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@@H](C)c2ccccc2Cl)C1 1776157435 MKTPMZZWMZDYPS-BLLLJJGKSA-N 293.794 3.754 30 20 CHED C=CCCC[C@H](NC[C@@H](C)CCc1ccccc1)C(=O)O 1776171234 QBBNDZSQSBINPP-RDJZCZTQSA-N 289.419 3.654 30 20 CHED N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 3945150 AIZSJPPOWZMURV-LBPRGKRZSA-N 295.729 3.706 30 20 CHED CCSc1nnc(/N=C(\O)c2cc(C)c(C)s2)s1 24002576 IMQZSRHMGLYQDE-UHFFFAOYSA-N 299.446 3.965 30 20 CHED C[C@@H](Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1C#N 25575032 MBPGJPDUTXRMKD-JTQLQIEISA-N 287.344 3.571 30 20 CHED CC(C)CC[C@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 42999312 GIQRECAYUPIIJF-AWEZNQCLSA-N 287.407 3.524 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 48474411 OPOSCORVWXKHOY-QMTHXVAHSA-N 291.782 3.912 30 20 CHED Cc1cnc(Sc2ccc(C#N)c(C(F)(F)F)c2)nc1 48771602 SMXMVVKNFSVKLI-UHFFFAOYSA-N 295.289 3.827 30 20 CHED C=CCN(CC=C)Cc1cc(-c2ccccc2)no1 51766637 JDINFFLJWHAXLQ-UHFFFAOYSA-N 254.333 3.516 30 20 CHED C=CCN(Cc1noc(CCCC)n1)Cc1cccs1 53603953 TUIILVYGMWISLA-UHFFFAOYSA-N 291.420 3.662 30 20 CHED N#Cc1cccc(CSCC(=O)OCc2ccccc2)c1 58237886 XRBADGUFBUGAST-UHFFFAOYSA-N 297.379 3.535 30 20 CHED COc1ccc(NCc2ccc(C#N)cc2F)c(C)c1 61567895 TXLHRAHWBDSFRI-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N/C(=N/OCc1coc(-c2ccccc2)n1)C1CCCCC1 63458840 PONUSCDRBWQQCK-UHFFFAOYSA-N 299.374 3.711 30 20 CHED N#Cc1ccc(F)cc1CSc1ccccc1O 85148812 CJZAOYVTGWKYHR-UHFFFAOYSA-N 259.305 3.695 30 20 CHED N#Cc1c(F)cccc1NCc1ccnc(OC2CCC2)c1 89641505 BDZZSCGIWIROSA-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(COc2ccccc2)cc1 91203652 ZKICXFOTUJRGHA-CQSZACIVSA-N 296.370 3.962 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ncccc1C 93159617 OUMWQUQRMLSOEM-UHFFFAOYSA-N 282.387 3.587 30 20 CHED N#CCN(Cc1ccc(Cl)c(F)c1)C1CCCC1 93563426 XOPKKNKHMHVTLZ-UHFFFAOYSA-N 266.747 3.747 30 20 CHED CCc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1 96618024 IQXDNNOWAOLNEX-UHFFFAOYSA-N 264.328 3.681 30 20 CHED CC(C)(CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 96657215 ZQMGBXZLFXAHOT-UHFFFAOYSA-N 278.355 3.865 30 20 CHED C[C@@H](CC(=O)[C@H](C#N)c1ccccn1)C1CCCCC1 102118821 YMTZJEZVFRCRRF-DZGCQCFKSA-N 270.376 3.864 30 20 CHED CC[C@@](C)(C#N)NC(=O)C[C@@H](c1ccccc1)C(C)C 103078678 VXUKSVOKDZQOBQ-WBVHZDCISA-N 272.392 3.625 30 20 CHED CCCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 104590772 IHASZBDEOUVXPX-UHFFFAOYSA-N 298.770 3.948 30 20 CHED CCOC(=O)Nc1ccc(OCc2ccc(C#N)cc2)cc1 107675717 SSENDJJIISPYMU-UHFFFAOYSA-N 296.326 3.706 30 20 CHED N#Cc1nc(NCCc2ccc(Cl)cc2)ccc1Cl 110078661 BVWLHQNCRVNCGJ-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)CCc1cccc2ccccc12 116972030 NVQCOEQMGSZUFL-OAHLLOKOSA-N 296.414 3.988 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)C1CCOCC1 123970127 JMQNAHQMHNAIHE-AWEZNQCLSA-N 269.429 3.668 30 20 CHED CCCCCCCCc1nnc(NC(=O)NC2CC2)s1 123994266 SROWLVUHYLSTJG-UHFFFAOYSA-N 296.440 3.725 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccc(Cl)c(Cl)c1 125033631 AXZXAEMTZWOLRF-SECBINFHSA-N 289.158 3.880 30 20 CHED CN(C(=O)c1sccc1Cl)c1cccc(C#N)c1 126472763 PASOXRCIVQANEQ-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCCCc1ccc(C)cc1 127098321 VZFXLECCEVFAAD-KRWDZBQOSA-N 272.392 3.516 30 20 CHED O=C(/C=C/c1cc(F)c(F)cc1F)c1cncc(F)c1 130084235 QCWKBXUGNWASEF-OWOJBTEDSA-N 281.208 3.534 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 132290708 GOGWUESMHJRUOH-GFCCVEGCSA-N 299.330 3.589 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2ccccc2)C1 134993226 BKQPQIWTQHXMCF-NVXWUHKLSA-N 257.377 3.605 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(-c2ncco2)ccc1C 152740682 OOGSQHJREAHDFN-LBPRGKRZSA-N 285.347 3.736 30 20 CHED CC#CCCSc1nnc(-c2cccc(Cl)c2)o1 155117994 WZQNGZZUMACRJF-UHFFFAOYSA-N 278.764 3.896 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(F)c(C)c1 158080552 YUSKSTGDIRGMQC-UHFFFAOYSA-N 270.307 3.627 30 20 CHED COc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 159498364 LKLBHXIWYVLMAB-AWEZNQCLSA-N 296.370 3.907 30 20 CHED CCN(CC#N)C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 160093240 NTUYALWHCSXQRK-HZPDHXFCSA-N 294.439 3.514 30 20 CHED COc1ccc(C#N)cc1COc1ccc(F)cc1C 160573193 IJHDRWAXBUDUPS-UHFFFAOYSA-N 271.291 3.593 30 20 CHED Cc1ccc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 160636581 HGVBJADRPVHMKG-MRXNPFEDSA-N 294.398 3.918 30 20 CHED C=C(C)CNC(=O)c1ccc(C(F)(F)F)cc1Cl 160930288 BTFSPFLYCYJQKP-UHFFFAOYSA-N 277.673 3.665 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cnn(CCC(C)C)c1C 161665051 PEQJFWWKGOJOGB-UHFFFAOYSA-N 292.427 3.668 30 20 CHED CCCCCCCCC(=O)NCc1ncc(C)s1 172711937 SVRROJCTNKCIRM-UHFFFAOYSA-N 268.426 3.818 30 20 CHED CC(C)Nc1cc(F)ccc1NC(=O)c1cccc(C#N)c1 172998037 BIFCUZJLWFEADL-UHFFFAOYSA-N 297.333 3.770 30 20 CHED Cc1nc(C(C)(C)NCCCC(C)(C)C#N)sc1C 174881445 GWDWTDHFXSMDQM-UHFFFAOYSA-N 279.453 3.915 30 20 CHED Cc1csc([C@H](NCc2cc(C#N)cs2)C2CC2)n1 177706171 MGFMJWFIAZNLAS-CYBMUJFWSA-N 289.429 3.626 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 179783301 UCGGGTFYHMWWTN-JTQLQIEISA-N 296.754 3.723 30 20 CHED C[C@H](NC[C@H]1CCc2ccccc21)c1cccc(C#N)c1 181734662 JYCPVYHASAXHHW-KBXCAEBGSA-N 276.383 3.939 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)CC1=CCCCC1 182118872 PZFRWVBAUSXXKS-ZDUSSCGKSA-N 284.359 3.806 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)CCC1CCCC1 182161887 DTWPVUIYBKSIQW-CYBMUJFWSA-N 286.375 3.886 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2ccccc2[nH]1 182625479 NDNALEXNMQAINK-GFCCVEGCSA-N 256.349 3.643 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H](C)C#N 182756878 HDBLONJTCQFXFH-USXIJHARSA-N 299.418 3.514 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 183963725 AAFXLDFMVZSJJJ-MELADBBJSA-N 264.413 3.647 30 20 CHED Cc1cncc(C(=O)/C=C/c2cc(F)cc(F)c2)c1 184775507 CVTJFXHSNVACKJ-NSCUHMNNSA-N 259.255 3.564 30 20 CHED COc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 185836169 XJTQGLVCOJCCKR-BXUZGUMPSA-N 278.783 3.521 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc3ncccc3c2)C1 185888769 YYJPEOYQRRFJRA-TZMCWYRMSA-N 251.333 3.729 30 20 CHED C[C@@H](NCCC[C@H]1CCCCO1)c1ccc(C#N)cc1 186001089 SISODQACCHZGHX-RHSMWYFYSA-N 272.392 3.558 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1c(C)n[nH]c1C 186315508 HXMTYRLFPREWSZ-KRWDZBQOSA-N 294.402 3.544 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1ccc2ccccc2c1O 186418374 XSQFAEIWZNOEPW-WEVVVXLNSA-N 293.297 3.976 30 20 CHED N#Cc1cccc(NC[C@@H](c2ccccc2)C(F)(F)F)n1 186486515 RZTMQNKFCQMVEF-ZDUSSCGKSA-N 291.276 3.711 30 20 CHED N#Cc1ccccc1S[C@@H]1CCc2ccccc2NC1=O 188030104 HBUYZUPFCRMDOY-MRXNPFEDSA-N 294.379 3.604 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1cc(C)sc1C 188161714 XVTKUSVZQCPPEJ-MLGOLLRUSA-N 295.448 3.771 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)NCCCCC#N)CC1 188522721 ASTNOIBQAHODTM-GJZGRUSLSA-N 293.455 3.974 30 20 CHED CCCNc1ccccc1NC(=O)Cc1ccc(C#N)cc1 190154048 VHEBHYUQXABCKH-UHFFFAOYSA-N 293.370 3.561 30 20 CHED C=C(C)COC(=O)Cc1csc(-c2ccc(C)cc2)n1 192467862 UKOGSPNBDFJKTI-UHFFFAOYSA-N 287.384 3.780 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CC(C)(C)C 194221970 JKUZYVGLAXOZNQ-UHFFFAOYSA-N 263.356 3.777 30 20 CHED CCCOc1ccc(OC(=O)c2cccc(CC#N)c2)cc1 195609145 VSOGPRXMGAIBTB-UHFFFAOYSA-N 295.338 3.761 30 20 CHED CCC[C@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 213460151 COOBLKDRBJVQFD-INIZCTEOSA-N 272.392 3.721 30 20 CHED N#Cc1c(F)cccc1NCc1cccc2cc[nH]c12 228032631 AHLJCEXLYCZICD-UHFFFAOYSA-N 265.291 3.791 30 20 CHED N#Cc1ccc(NCCC2CC2)cc1Br 228189839 UADQITRZRMCQEI-UHFFFAOYSA-N 265.154 3.533 30 20 CHED C=CCN(C(=O)c1cnc(Cl)c2ccccc12)C(C)C 232624800 AGOLWIQHDKDVIJ-UHFFFAOYSA-N 288.778 3.925 30 20 CHED C=CC[C@@H](C)N[C@H](C)Cc1ccc(Br)cc1 235426045 IMJHVYFEDGTPIH-VXGBXAGGSA-N 282.225 3.934 30 20 CHED N#CC1(c2ccccc2)CC(NCCc2cccc(F)c2)C1 237747962 UKMITKSIKMWVSF-UHFFFAOYSA-N 294.373 3.582 30 20 CHED COc1cc(N=Cc2ccccc2O)c(OC)cc1Cl 255014451 RDISVURVKVTFTH-UHFFFAOYSA-N 291.734 3.813 30 20 CHED N#C[C@H](COC(=O)/C=C\c1ccccc1)Cc1cccs1 255071744 FOQMLTUWXOGIFX-WHLNPGIBSA-N 297.379 3.687 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)/C=C\c2cccnc2)n1 255414164 JBBKLFWSKWSVLS-CFHLNLSMSA-N 297.383 3.551 30 20 CHED N#CC1(NC(=O)/C=C/c2ccc3[nH]ccc3c2)CCCCC1 270800242 JJFSNVLGASULFD-FNORWQNLSA-N 293.370 3.524 30 20 CHED CC(C)(CCC#N)CN1CC[C@H](c2ccccc2F)C1 271185271 NLGKEAISFQJYNA-AWEZNQCLSA-N 274.383 3.945 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(OCCC)c1 276370203 XDPYAFBNWNTOKE-UHFFFAOYSA-N 262.353 3.515 30 20 CHED C=CCC1(C(=O)N(CC)CCc2cccs2)CCC1 276649635 YTDTXAMRUSLTQN-UHFFFAOYSA-N 277.433 3.886 30 20 CHED CC(C)(C)c1cnc(S[C@@H]2CC[C@@H](C#N)C2)o1 278557579 MHQBVFDMRQGZQJ-NXEZZACHSA-N 250.367 3.756 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)C(C)C)c(C)cc1Cl 279680558 IWMJPKACSNWTJI-OAHLLOKOSA-N 278.783 3.625 30 20 CHED C#CCn1ccc(CN(CC)[C@H](CC)c2ccc(F)cc2)n1 279775553 TZMKZKXSFWYWRS-GOSISDBHSA-N 299.393 3.629 30 20 CHED C[C@@H](C1CC1)N(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 280240505 JZTBAHHWYYJYLY-ZDUSSCGKSA-N 296.414 3.891 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(COC(C)C)cc1 280969914 AAZIKTAPAQVHAX-MRXNPFEDSA-N 275.392 3.696 30 20 CHED N#CCOc1ccc(CN[C@@H]2CCC[C@H]2CCCF)cc1 282855934 XVGRYTYSUILWJT-DOTOQJQBSA-N 290.382 3.597 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N[C@H](C#N)C1CCCCC1 287474769 MNBMHPFAEWOSBQ-OAHLLOKOSA-N 288.391 3.914 30 20 CHED CC[C@H](CC#N)NC(=O)CCSc1cccc(Cl)c1 288672191 HRJMCFXOYXUUER-GFCCVEGCSA-N 296.823 3.631 30 20 CHED Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(C#N)cc2)s1 289452998 LFBUAOPGHWQQHS-ZDUSSCGKSA-N 298.411 3.738 30 20 CHED C=CC(C)(C)C(=O)NCC1(Sc2ccccc2)CC1 294703335 TXLKFOUVUKKFOM-UHFFFAOYSA-N 275.417 3.640 30 20 CHED COc1ccc(CNc2ccc(Cl)cc2C#N)cc1O 301252580 MVOCKTAGQDUIKA-UHFFFAOYSA-N 288.734 3.538 30 20 CHED N#Cc1cc(F)ccc1NCCc1c[nH]c2cc(F)ccc12 301396803 GMZCZXRMVICNJJ-UHFFFAOYSA-N 297.308 3.972 30 20 CHED CCO[C@H](CCNc1ccc(F)cc1C#N)C(C)C 301442801 PLIQCHHTAKUJHT-OAHLLOKOSA-N 264.344 3.560 30 20 CHED CN(CC[C@H]1CCCCN1C)c1ccc(C#N)c(Cl)c1 301472708 UPZMFUNDSAVGNO-CQSZACIVSA-N 291.826 3.522 30 20 CHED COc1ccc(Sc2ccc(Cl)c(C#N)n2)cc1 301497321 BROPESCKXUHYMI-UHFFFAOYSA-N 276.748 3.766 30 20 CHED C=C(C)CN1CCN(Cc2ccc(C(C)C)cc2)CC1 302756997 QVOLFMLAOFSTOJ-UHFFFAOYSA-N 272.436 3.504 30 20 CHED C[C@H](Nc1c(C#N)cccc1C#N)c1ccc(F)c(F)c1 302854130 RAWZHRCYUXQGCP-JTQLQIEISA-N 283.281 3.881 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc(Cl)sc1Cl 309437063 HONXCTUWKCOJOV-SFYZADRCSA-N 280.220 3.907 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(Br)cc(C)c1O 309567257 MMNKKMXFTJDUJQ-VHSXEESVSA-N 284.197 3.688 30 20 CHED Cc1ccc(Br)c(N[C@@H]2CC[C@@H](C#N)C2)c1 309884076 XFWABXIBUIJJJD-GHMZBOCLSA-N 279.181 3.862 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(C)c2ccccc2C#N)CC1 328379110 YHKRAEACSHEWOP-HDJSIYSDSA-N 270.376 3.737 30 20 CHED Cc1ncc(/C(O)=N/[C@@H]2CCCC[C@H]2c2ccccc2)[nH]1 328799671 XUQOSTTXTDTKRW-LSDHHAIUSA-N 283.375 3.749 30 20 CHED CC(C)(C)c1n[nH]cc1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 328852407 VQWGJUDETDUKDB-RWMBFGLXSA-N 289.423 3.981 30 20 CHED OC1=NCCC[C@@H]1/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329038207 CSZUOCUFERDCQP-FQUUOJAGSA-N 278.396 3.668 30 20 CHED OC(=Nc1ccc2nc[nH]c2c1)C1[C@@H]2CCCC[C@@H]12 329042215 DSJXLZZSFRUNNI-GHMZBOCLSA-N 255.321 3.587 30 20 CHED C[C@H](/N=C(/O)c1conc1C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 329156320 VQMRVXXDVATSFV-UKJIMTQDSA-N 274.364 3.681 30 20 CHED N=C(O)C1(C/N=C(/O)c2cccc3c2CCC3)CCCC1 329292577 AYHINRAWXYGPJJ-UHFFFAOYSA-N 286.375 3.576 30 20 CHED C[C@H]1CCC[C@H](CC(O)=Nc2nc3cccnc3n2C)C1 329384839 PRGPMOFJKWMVTA-RYUDHWBXSA-N 286.379 3.773 30 20 CHED O/C(=N/[C@@H]1CSc2ccccc21)c1cc(C2CC2)on1 329557399 LCUVHTYYKLMMIZ-GFCCVEGCSA-N 286.356 3.704 30 20 CHED OC(CC1CCCCCC1)=Nc1nc2cccnc2[nH]1 330245508 XSVKTYUKVKHFTA-UHFFFAOYSA-N 272.352 3.906 30 20 CHED CCC(CC)C/N=C(/O)Nc1c(C)cc(C)nc1C 331301516 DZTQJMIFPQQLQA-UHFFFAOYSA-N 263.385 3.769 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1nccs1 334241013 WDELVCYISWSBBO-IAQYHMDHSA-N 283.400 3.743 30 20 CHED CN(C)c1ccccc1NC(=O)c1cc(C#N)ccc1Cl 334408159 HULMUYFLSYHPKI-UHFFFAOYSA-N 299.761 3.530 30 20 CHED N#CCc1ccc(C(=O)Nc2cc(Cl)ccc2F)cc1 334495858 VHDGCBOYUPLZBL-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 335992018 QYALWZHBWIHMRV-CQSZACIVSA-N 285.391 3.653 30 20 CHED Cc1c(C(=O)N[C@@](C)(C#N)C(C)(C)C)cnc2ccccc12 336037093 YVHNIMLPPJNTFM-SFHVURJKSA-N 295.386 3.601 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 336231123 QXVGCIJXDPUSDA-OTYXRUKQSA-N 297.185 3.502 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc(Cl)s1 336494464 WMDBZDSWPASKGR-UHFFFAOYSA-N 276.748 3.720 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1cccc2ccsc12 336607386 DCNCFQRIRPDCEH-UHFFFAOYSA-N 287.388 3.915 30 20 CHED CCC(CC)CN(CCC#N)CCC1(OC)CCC1 339009203 BKZMNSGMIGLNPI-UHFFFAOYSA-N 266.429 3.597 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(C(C)=O)c1 341092725 SURMPVPQEDHECV-HNNXBMFYSA-N 263.312 3.569 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(N(C)c2ccccc2)nc1 342371494 GTALWOYCRQKTOI-CQSZACIVSA-N 295.386 3.544 30 20 CHED Cc1c(Cl)cnc(N[C@H](C)c2cccc(O)c2)c1C#N 343512993 PTRCSNBSCXHQMA-SNVBAGLBSA-N 287.750 3.794 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)n(C(C)C)c1C 343763723 HSTLZWAHNAMKHV-CQSZACIVSA-N 262.397 3.770 30 20 CHED CSc1ccccc1CC(=O)Nc1ccc(CC#N)cc1 346317169 IZFODUYLOFXKNK-UHFFFAOYSA-N 296.395 3.656 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1ccc(SC)cc1 346776207 BGBQODNCTCDKDF-UHFFFAOYSA-N 298.367 3.541 30 20 CHED Cc1ccc(F)c(-c2noc(-c3cc(C#N)oc3C)n2)c1 347053738 XKRWOAJRXPIHJM-UHFFFAOYSA-N 283.262 3.624 30 20 CHED N#Cc1ccccc1CN1Cc2ccccc2C2(CCC2)C1 352376195 LNUDVBIZXCLERD-UHFFFAOYSA-N 288.394 3.996 30 20 CHED C=C(C)CN(CCCSC)Cc1cnn(C(C)C)c1 352900786 ICOIRANEPQRHAQ-UHFFFAOYSA-N 281.469 3.595 30 20 CHED CSc1ccc(Cl)c(C(=O)N(C)CC(C)(C)C#N)c1 353292573 KXQPUQMPRQQVAF-UHFFFAOYSA-N 296.823 3.684 30 20 CHED CCOc1ncccc1CNc1cccc(Cl)c1C#N 353358711 ZNCWKDIMEFFMLC-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC1(C)C(NC(=O)C[C@H](CC#N)c2ccccc2)C1(C)C 356321511 NDYRJWSELLLIMM-AWEZNQCLSA-N 284.403 3.625 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@]1(C)C[C@H]1c1ccccc1 356481585 UHNSICVHANOGLV-PKOBYXMFSA-N 290.366 3.543 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@H]1c1c(F)cccc1Cl 357536226 UDFWFVGUMUSDFJ-RNCFNFMXSA-N 287.725 3.714 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCO[C@@]2(C[C@H]3CC[C@H]2C3)C1 366901635 UWTWQRCISOCBKS-CBVHJVASSA-N 296.414 3.510 30 20 CHED C#CCCCCN[C@@H]1CCC[C@@H](c2cccnc2)C1 367067163 QIAGMVGSQCXGHY-NVXWUHKLSA-N 256.393 3.501 30 20 CHED C=CCCCCCCN[C@@H]1CCC12CCOCC2 367895425 IQZQIJQPPZSTCO-OAHLLOKOSA-N 251.414 3.672 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 375608439 YEEFAXTZASKDBM-KRWDZBQOSA-N 296.374 3.572 30 20 CHED C=CC[C@H](CC)NCc1ccc(N2CCCC2)cc1 393791905 ZWWVPQZBBFBKOI-INIZCTEOSA-N 258.409 3.731 30 20 CHED C=CCCCCNCc1cc(Cl)cc(OC)c1O 394153720 YCYCLDRHKFOZMA-UHFFFAOYSA-N 269.772 3.500 30 20 CHED CC[C@H](C)[C@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 397155100 NFSQUNMSSWQETI-YJBOKZPZSA-N 298.430 3.969 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 397786069 PHOLSCYSTQEVDE-GFCCVEGCSA-N 284.384 3.667 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCC[C@H]1CCOC1 400553708 PCNMUOKLENXPBF-NSHDSACASA-N 298.308 3.806 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 409581571 UUSZMZFUJBYSEW-JSGCOSHPSA-N 271.364 3.506 30 20 CHED CCCN(Cc1ccc(F)cc1)[C@H]1CC[C@@H](C#N)C1 411198212 DZBNYNLEFDUULB-ZBFHGGJFSA-N 260.356 3.730 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412229725 IBXMCHJBULQTBQ-XOKHGSTOSA-N 282.387 3.523 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ncc(C#N)cc1F)CCC2 413304552 SCPWDXNYVZMUTP-INIZCTEOSA-N 281.334 3.890 30 20 CHED C=CCCc1nc(-c2ccc(OC)c(OC)c2Cl)no1 420520233 DNGPMJBVIACZFB-UHFFFAOYSA-N 294.738 3.526 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2c2cncc(C#N)n2)cc1 420597437 IKYVPOOWJBSNBN-KDOFPFPSSA-N 292.386 3.634 30 20 CHED Cc1ccc(C(C)(C)C(=O)NCc2ccc(C#N)s2)cc1 421603432 VRTPYUZGDBEUEX-UHFFFAOYSA-N 298.411 3.522 30 20 CHED C=CCC[C@@H](NC1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 423000569 VOJSTJWFWVSABW-UJJTZGENSA-N 270.420 3.567 30 20 CHED C=CCCC1(c2nc([C@H](C)c3nccs3)no2)CC1 424354701 NPKQCBCJVAZYFQ-JTQLQIEISA-N 275.377 3.676 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2ccc(OC)cc2)C1 424648852 XAIBTNMIHXHGTN-HNNXBMFYSA-N 287.403 3.613 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)CCOCc1ccccc1 424847952 KZNAVQMFYSUFPN-OAHLLOKOSA-N 289.419 3.700 30 20 CHED N#Cc1c(N[C@H]2CCc3cc(F)ccc32)ncc2c1CCC2 425204506 ACHRMLDFHBBUFM-KRWDZBQOSA-N 293.345 3.680 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](CC)CNc1ccccc1 425312414 JXXLWXDZHIWJTC-CQSZACIVSA-N 274.408 3.596 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2ccccc2[C@H]1C 425522917 BZYHQIYCQVJOQV-CYBMUJFWSA-N 257.377 3.735 30 20 CHED Cc1nccn1CCCCN(C)[C@H](C)c1cccc(C#N)c1 425541999 XMCOUYDJSWRIFO-OAHLLOKOSA-N 296.418 3.536 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N1CCCc2cc(C#N)ccc21 425608533 PCVMNBKPONPCGN-CJNGLKHVSA-N 282.387 3.664 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cc2ccc(C)cc2o1 426059020 NLPWNVUEBBTEHZ-KBPBESRZSA-N 273.376 3.576 30 20 CHED C=CCN(C)C(=O)NC1CCC(C)(c2ccccc2)CC1 430339079 IIJDWUYCSAXCHN-UHFFFAOYSA-N 286.419 3.714 30 20 CHED CC#CCNC(=O)Nc1cc(-c2ccc(C)o2)ccc1C 432986730 WXTVBPLCRMHMQF-UHFFFAOYSA-N 282.343 3.708 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1cncc(-c2ccccc2)n1 435583172 FJIBDYNDFOMGBS-QAPCUYQASA-N 295.386 3.537 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@H]1c1ccccc1 437576985 KJWSRKJCQJTIKA-KRWDZBQOSA-N 278.355 3.514 30 20 CHED CN(CCC#N)C(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 439116686 XSGSUKXYJAKCAO-UHFFFAOYSA-N 286.419 3.634 30 20 CHED CC[C@H](C#N)NC(=O)c1ccccc1Oc1cccc(C)c1 441284035 WMWIBWQJHMOUSI-CQSZACIVSA-N 294.354 3.819 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC=C(c2ccccc2)C1 442663806 IKDKIMKQRGEGKY-QGZVFWFLSA-N 255.361 3.515 30 20 CHED C=CCCCCCN(C)C(=O)CCSc1ccccn1 446049240 ZVILMKRUTZSKTF-UHFFFAOYSA-N 292.448 3.769 30 20 CHED C=CCC[C@@H](CC)Nc1c[nH]nc1-c1nccs1 447080520 WMTURSJQGYFJEB-SNVBAGLBSA-N 262.382 3.690 30 20 CHED C=CCC[C@H](NC(=O)c1ccnc(C)c1)c1ccccc1 447569297 OWBJAYCOKHNEDU-KRWDZBQOSA-N 280.371 3.827 30 20 CHED CCOc1cccc(CNC2CCC(C)(C#N)CC2)c1 449081368 DVJBJGVAUURTEA-UHFFFAOYSA-N 272.392 3.647 30 20 CHED C=C(C)CCN1CC(C)(C)N(CCC(=C)C)C[C@@H]1C 451078387 FAGPJILDUSHUAG-INIZCTEOSA-N 264.457 3.704 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1C(C)(F)F 452664196 DNSJMLREMGATMH-UHFFFAOYSA-N 283.318 3.720 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NCC[C@@H]1CCOC1 453086876 MKOOKOFSSZIRJS-UONOGXRCSA-N 290.432 3.919 30 20 CHED Cc1c(-c2noc([C@@]3(C#N)C[C@@H]3C)n2)oc2ccccc12 453159481 DPCKCWZFKDRQLQ-XXFAHNHDSA-N 279.299 3.592 30 20 CHED C=CCC1(CNC(=O)CC(C)(C)CC(C)=O)CCCC1 456507828 OSICBDFJILWTGG-UHFFFAOYSA-N 279.424 3.635 30 20 CHED C=CCC1(CNC(=O)N[C@@H](C)c2cccnc2)CCCC1 457491214 AYLFDURZJKIUNB-AWEZNQCLSA-N 287.407 3.578 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)NCC(C)(C)CC#N 457988357 CGYZAMGIMYLTAV-HNNXBMFYSA-N 286.419 3.701 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(-c2ccccc2)ns1 462025654 JTFJNLBKHVZZHY-UHFFFAOYSA-N 286.400 3.848 30 20 CHED C=C(C)CN1CCC(N[C@H](C)CCc2ccsc2)CC1 462784681 GLSNYMWHVMIAGY-OAHLLOKOSA-N 292.492 3.699 30 20 CHED CCO[C@@H]1C[C@H](Nc2c(Cl)cccc2C#N)C12CCC2 462888033 CXUSMCIZKFSFGP-UONOGXRCSA-N 290.794 3.971 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1c1ccccc1 466378337 LGRKNVPQGSBLFV-HZPDHXFCSA-N 272.392 3.888 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC(CCC(C)C)CC1 470761456 JKFNUMJMAZNKMG-OAHLLOKOSA-N 281.440 3.642 30 20 CHED C=CCCCCNC(=O)N(C)CCc1ccc(Cl)cc1 472831433 GRQDYKJLOYFQAA-UHFFFAOYSA-N 294.826 3.880 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccn(C(F)F)n1 475283378 VXPWRZHZGSKTQJ-UHFFFAOYSA-N 291.345 3.857 30 20 CHED C=CCOCCCSc1nc2cc(Cl)ccc2n1C 475985712 CFRAJVSFRFJLRO-UHFFFAOYSA-N 296.823 3.912 30 20 CHED C=C(C)CN(C)c1c(C#N)cnc2c(F)ccc(Cl)c12 477051333 ZETOMDHMZLWKOQ-UHFFFAOYSA-N 289.741 3.911 30 20 CHED C=CCCC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 479406414 JOTQLNQTZRJLTP-MRXNPFEDSA-N 273.351 3.844 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H]1CCC[C@H](OC)C1 483818715 IGMXPPLQTSVHER-GJZGRUSLSA-N 294.439 3.560 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1 485887081 FHLVPPLGXCOXSQ-KZNAEPCWSA-N 280.415 3.948 30 20 CHED C=CCC[C@H](C(=O)NCCC(C)C)c1ccccc1 487597698 ZOSPAKZSSUWGHX-INIZCTEOSA-N 259.393 3.899 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1CCCc2ccccc21 488840304 OITDECIILTUFGG-RDJZCZTQSA-N 269.388 3.674 30 20 CHED C=CCn1cccc1C(=O)N(CCCC)[C@@H](C)CC 490044920 NRELDYJGSFQRGO-AWEZNQCLSA-N 262.397 3.715 30 20 CHED C=CCN(C)C(=O)c1cnc2ccccc2c1C(F)(F)F 490075288 XDOSKGIQFRLOCZ-UHFFFAOYSA-N 294.276 3.512 30 20 CHED C=CCC(C)(C)C(=O)NCC1(c2ccc(F)cc2F)CC1 493112329 JBYIUSKBWVUBOR-UHFFFAOYSA-N 293.357 3.715 30 20 CHED C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(C#N)cc1 494855988 GPGABCWTJHWCOQ-QINSGFPZSA-N 290.366 3.734 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1CC(C)(C)C1 508571366 UJNZFQVDYQXKEB-UHFFFAOYSA-N 271.404 3.680 30 20 CHED C=C(C)CCc1noc([C@@H](C)Oc2ccccc2F)n1 508601665 XNUDIPMQTZFTBP-LLVKDONJSA-N 276.311 3.857 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc(OC)cc2)n1 508633882 CUABBCXOIJZILB-XFFZJAGNSA-N 270.332 3.757 30 20 CHED N#Cc1ccc(C(=O)NCCCC2CCCCC2)cc1 509469251 NADUYDMDZPNOMC-UHFFFAOYSA-N 270.376 3.649 30 20 CHED C=C(CNC(=O)N1CCC[C@@](C)(CC)C1)c1ccccc1 512685657 RMFPLAOMNQCNGX-GOSISDBHSA-N 286.419 3.922 30 20 CHED C=CCOCCCN1C[C@H](C)C[C@H]1c1ccccc1 513268771 YYDCICKHWMILJH-WBVHZDCISA-N 259.393 3.662 30 20 CHED CC(C)c1occc1C(=O)N1CCC(CCC#N)CC1 517032193 PYSICKTZGXXMOW-UHFFFAOYSA-N 274.364 3.559 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)CCC2 521542667 XXGLTVIXLXVTRQ-XVSDVWIESA-N 296.414 3.853 30 20 CHED C=CC[C@H](C)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 522645299 MYYKOHLFWFSOTR-MELADBBJSA-N 251.414 3.920 30 20 CHED CC(C)Cc1ccc([C@@H](NC(=O)[C@@H](C)C#N)C2CC2)cc1 524071041 XPEMEDYOYZRNJB-SUMWQHHRSA-N 284.403 3.612 30 20 CHED CN(C(=O)CSCC#N)c1ccc(-c2ccccc2)cc1 525715746 JCWBWHFBXVCABO-UHFFFAOYSA-N 296.395 3.573 30 20 CHED C=CCC[C@H](NCCc1ccc2c(c1)OCO2)c1ccco1 530558607 VREDFKNXEUIKGV-HNNXBMFYSA-N 299.370 3.848 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)c(F)c1 533309344 LENSEEYCOHWFCZ-IJEWVQPXSA-N 272.367 3.756 30 20 CHED C=C(C)[C@H](CC(=O)NCCCC1CCCCC1)OCC 534404393 TVGXGVLWXZEMTG-INIZCTEOSA-N 281.440 3.834 30 20 CHED CC(C)(C)CCCCNC(=O)c1ccc(CC#N)cc1 536102192 DNQHSAKNSFEXIX-UHFFFAOYSA-N 272.392 3.699 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1cc(C)ccc1C 537238019 MHXSBNYBZYCEJI-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C=CCC[C@@H](NCc1ccccc1-c1cnn(C)c1)C1CC1 537949963 DHUQAGFAYLPYJC-LJQANCHMSA-N 295.430 3.922 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCCC(F)(F)F 538845008 DJEPJVMHYLARCU-UHFFFAOYSA-N 285.309 3.934 30 20 CHED C=CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 538963866 NTYAEVNOVVQIEL-UHFFFAOYSA-N 284.281 3.888 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC(C)C)c1cccs1 539295207 LSFQUNORUKWKPB-ZIAGYGMSSA-N 267.438 3.610 30 20 CHED COCCOc1ccc(C#N)cc1N[C@H]1CCC[C@H](C)C1 542464473 VEDXBWBJGLJKKY-ZFWWWQNUSA-N 288.391 3.574 30 20 CHED C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(CC#N)CC1 542883551 OHPNHSJWCKEQAA-LBPRGKRZSA-N 275.396 3.659 30 20 CHED CC(C)CCc1noc(-c2ccc(C3(C#N)CC3)cc2)n1 544845352 BKRAJPNSAFAKPC-UHFFFAOYSA-N 281.359 3.880 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cccc2c(OC)ccnc12 546632080 XYMPUUPQUCDDRK-GFCCVEGCSA-N 284.359 3.784 30 20 CHED CC[C@@H](CN(CC)C(=O)[C@@](C)(C#N)CC)c1ccccc1 552444147 TZVAIIYHGNCVFL-MAUKXSAKSA-N 286.419 3.969 30 20 CHED C=CCN(Cc1ccc(OC)cn1)CC1CCCCC1 554819971 FKQNFAHEYOISMM-UHFFFAOYSA-N 274.408 3.659 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCCCCF 556498090 WLWCJZODFXXLPQ-SJORKVTESA-N 274.383 3.898 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCCC[C@@H]1CC 558452335 LMKVCSCLTYEWKX-INIZCTEOSA-N 296.418 3.900 30 20 CHED C=CCC(C)(C)c1noc(Cc2cccc(F)c2)n1 560008152 DGPVFZSADACNEN-UHFFFAOYSA-N 260.312 3.653 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 560580947 LQZLTEMXLDSCOY-YNEHKIRRSA-N 257.381 3.814 30 20 CHED Cc1csc(NC(=O)[C@@H]2C[C@@]2(C)c2ccccc2)c1C#N 560667037 ABYLYMSIOWCNLA-YOEHRIQHSA-N 296.395 3.845 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)C1CCC(C(C)C)CC1 561787826 PGQMWDQAKRRHAF-ZBCRRDGASA-N 264.413 3.599 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N[C@](C)(C#N)CC 570180936 YBEMBVKSMFPZBW-HOCLYGCPSA-N 264.413 3.791 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)N2CCC(CCC#N)CC2)C1 573115087 IHLKTAMEWLYGTJ-ZBFHGGJFSA-N 291.439 3.538 30 20 CHED C=CCNC(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 574564049 VYXWLAGOHREBGG-ZDUSSCGKSA-N 299.201 3.930 30 20 CHED Cc1ccc(C[C@@H](C#N)SCC(=O)OC(C)(C)C)cc1 578625664 CZANGWUPIAHSIW-AWEZNQCLSA-N 291.416 3.505 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cn1)[C@H]1CCC[C@@H](C)C1 580614523 LIPWIMBHXXXOQU-ZBFHGGJFSA-N 299.418 3.774 30 20 CHED N#Cc1cccc(C2(NC[C@H]3CCC4(CCCC4)O3)CC2)c1 581203705 YPBYFLXQRIVCNP-QGZVFWFLSA-N 296.414 3.629 30 20 CHED Cc1nsc(NCC(C)(C)c2ccccc2)c1C#N 587152646 IFRNDQRNTJJTHW-UHFFFAOYSA-N 271.389 3.713 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc(C#N)cc1 588393991 AAOIGSRDJDLAGK-CLFYSBASSA-N 265.287 3.902 30 20 CHED COCc1cccc(/C=C\C(=O)c2sccc2OC)c1 588489049 MOOVOZVDKFGZDP-SREVYHEPSA-N 288.368 3.799 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C)o2)c1F 588619173 MNVHLCGBTBDTGD-FPLPWBNLSA-N 260.264 3.632 30 20 CHED C[C@H](NC(=O)[C@@H]1CC2CCC1CC2)c1cccc(C#N)c1 590072359 XDBJILZUKXGGQD-HEAFNYJSSA-N 282.387 3.562 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 593706999 DLDWGJJYJHXXML-RYUDHWBXSA-N 284.334 3.706 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 593980901 CSTFWQLNPHSCCT-YJBOKZPZSA-N 298.430 3.774 30 20 CHED CCC[C@@H](C#N)NC(=O)CCc1c(Cl)cccc1Cl 594002314 RHVHKOQNCUPRMC-JTQLQIEISA-N 299.201 3.734 30 20 CHED CC[C@@H](CC#N)NCc1ccc(OC(C)C)c(Cl)c1 594006885 VGAQAVIUEJKDQL-ZDUSSCGKSA-N 280.799 3.909 30 20 CHED CCN(CCSc1ccc(Cl)cc1)[C@H](C)C#N 595812869 OUVUWTTVFORZKZ-LLVKDONJSA-N 268.813 3.666 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1CCOC2(CCCCC2)C1 596166662 XNWPLKKWCGLQRV-AWEZNQCLSA-N 285.391 3.556 30 20 CHED Cc1cc2cc(OCC3(CC#N)CC3)ccc2n1C 596297498 LXGSDIHJLDIFDX-UHFFFAOYSA-N 254.333 3.559 30 20 CHED N#Cc1cccc(CSCc2cc(C3CC3)no2)c1 596400837 ADQICEHNBKDDMK-UHFFFAOYSA-N 270.357 3.857 30 20 CHED C=CCCSCCNC(=O)[C@@H](C)c1cccc(C)c1 597968667 YPHIERSJBGUQDR-AWEZNQCLSA-N 277.433 3.524 30 20 CHED CCN(C(=O)[C@H](C)c1c(Cl)cccc1Cl)[C@H](C)C#N 598355466 CZPXZEIAQHOONA-NXEZZACHSA-N 299.201 3.857 30 20 CHED CCC1(CC)CCCN(C(=O)C(C#N)(CC)CC)C1 600102241 IUOBECOSIMDNGQ-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C[C@@H](N[C@H]1CCCc2ncccc21)c1cccc(C#N)c1 601267393 XGEJWJNOIKLQTH-ACJLOTCBSA-N 277.371 3.681 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCCc2ccccc21 602506479 XVJKPOVSTKTQET-CRAIPNDOSA-N 298.430 3.753 30 20 CHED CC(C)Oc1ccccc1CNC[C@@H](C)CCC#N 602517379 AJLSTTHFXLSKDW-AWEZNQCLSA-N 260.381 3.503 30 20 CHED C[C@H]1CCCC[C@@H]1CN[C@H](C)CC1(C#N)CCOCC1 602522407 TZVLPBFMSPSGKE-ARFHVFGLSA-N 278.440 3.501 30 20 CHED C[C@H](CCC#N)CNCc1ccc(Cl)cc1F 602624640 LQQWFRCMCAQBTC-SNVBAGLBSA-N 254.736 3.509 30 20 CHED C=CCCCN(C)C(=O)c1ccc2c3c(cccc13)CC2 605677239 XVEUWGJISIOCAI-UHFFFAOYSA-N 279.383 3.977 30 20 CHED CCOC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 609551572 HHPSNGLVBHRRGJ-UHFFFAOYSA-N 281.311 3.722 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2C)c(C)s1 610901095 JYFAHBGDVZXFJU-UHFFFAOYSA-N 270.357 3.797 30 20 CHED N#CCCN(Cc1cscc1Cl)CC1CC1 611268598 OALZTLKNCKRXPS-UHFFFAOYSA-N 254.786 3.527 30 20 CHED CCC(CC)CN(CCC#N)Cc1nn(C)c2ccccc12 611268804 DUSRJSXTODTRJR-UHFFFAOYSA-N 298.434 3.725 30 20 CHED C[C@H](C(=O)NCC(C)(C)C#N)c1ccc2ccccc2c1 611690250 JTOXWANWPSBRDR-ZDUSSCGKSA-N 280.371 3.609 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612098569 UZJUGWYXZFWJBJ-AEFFLSMTSA-N 299.418 3.863 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 612251733 RTKOWUBSVWEBCO-LISAXSMJSA-N 288.435 3.745 30 20 CHED CC(C)(C#N)CN[C@H]1CCC[C@H]1Cc1ccccc1 613540290 JQSGJXBTQIDYOQ-HOTGVXAUSA-N 256.393 3.537 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1C 614397646 LOHVVKDVJSNWOY-UHFFFAOYSA-N 294.398 3.897 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC[C@H](C2CCCCC2)C1)OCC 618184731 DWMHBUOTZFLHSK-DLBZAZTESA-N 293.451 3.787 30 20 CHED Cc1cc(-c2nnco2)ccc1N[C@H]1CCC[C@H](C#N)C1 618574973 QPZFJKWRPGECFG-JSGCOSHPSA-N 282.347 3.539 30 20 CHED C=CCC1(NC(=O)c2cccc3cccnc23)CCCC1 619105375 DQBUJRNTAGKCRO-UHFFFAOYSA-N 280.371 3.854 30 20 CHED C=CCCC(C)(C)NC(=O)CCCc1ccc(O)c(F)c1 620856891 DYJWIHKDNCOQBM-UHFFFAOYSA-N 293.382 3.715 30 20 CHED C=CCN(C(=O)CCCC(F)(F)F)C(C)(C)C 622945053 QDEXDJOBEHZEJR-UHFFFAOYSA-N 251.292 3.532 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1ccc2nc(O)oc2c1 631737546 QRCNUYOVOLAQFF-WDEREUQCSA-N 260.337 3.539 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCCC1CC1 643126846 MWDCUZYMBJSDIJ-UHFFFAOYSA-N 263.406 3.843 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(F)cc1SC 648620650 QQTCKWMVPHJPPO-OAHLLOKOSA-N 297.395 3.715 30 20 CHED C=CCCC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 650579459 CZTRYMUIEILHCL-CYBMUJFWSA-N 277.339 3.510 30 20 CHED C=CCCN[C@H](Cc1ccncc1)c1ccc(OC)cc1 658114010 KOQDPVVPFHPBIP-GOSISDBHSA-N 282.387 3.540 30 20 CHED C=CCN(Cc1ccc(C(F)F)cc1)[C@@H](C)COC 661240094 LHOJQGIGNYFVCW-LBPRGKRZSA-N 269.335 3.647 30 20 CHED CCN(Cc1c(C)cc(C)c(C(C)=O)c1C)[C@H](C)C#N 661984841 YNXZAPMDDKCVKK-CYBMUJFWSA-N 272.392 3.548 30 20 CHED FCCCCCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 671241613 XFAZHNIBRBFZHT-IUCAKERBSA-N 295.242 3.799 30 20 CHED Cc1[nH]c2ccccc2c1CC/N=C\c1cccc(O)c1O 726888606 ATOFKNLPMJHOQS-ODLFYWEKSA-N 294.354 3.549 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc3c2CCC3)c1 728480287 KLPHNEARYOCECR-UHFFFAOYSA-N 289.378 3.823 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1cc2ccccc2o1 728614201 FQKVEIBVUGBGKD-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CON=Cc1ccc(C(=O)NCCCCC(C)(C)C)cc1 729388287 FVMZCMZYXUAEDX-UHFFFAOYSA-N 290.407 3.613 30 20 CHED N#CCOc1cccc(/C=C2/Cc3c(F)cccc3C2=O)c1 730149898 LWBUBOICECKMLK-LCYFTJDESA-N 293.297 3.550 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1 730436732 LRQJNUYRUXUWDM-VMPITWQZSA-N 280.323 3.898 30 20 CHED C#CCOc1cccc(NC(=O)C[C@H](CC)C(C)C)c1 730978041 SAQOSIXMHQBZHU-AWEZNQCLSA-N 273.376 3.709 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 733327144 ANEIZXWWDSAOBB-MDZRGWNJSA-N 299.462 3.951 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@@H](C)C(C)(C)C)cc1 734511120 YKOUPZUIFGKBDE-KGLIPLIRSA-N 274.408 3.749 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2nc(C)cc(O)n2)cc1 741836727 DNDGVQUWILXHBY-CQSZACIVSA-N 296.374 3.535 30 20 CHED CS[C@@H]1CC[C@@H](/N=C/c2cc(Cl)ccc2O)C1 743042216 IAVPTAOXFWYHAF-GTZAAGPCSA-N 269.797 3.749 30 20 CHED FC(F)(F)c1ccc(CON=Cc2ccc[nH]2)cc1 746578047 YIOILSSCASNBBC-UHFFFAOYSA-N 268.238 3.584 30 20 CHED CN(CCCCc1ccccc1)C(=O)C#Cc1ccccc1 747359458 IKXVFNUFBWYDGD-UHFFFAOYSA-N 291.394 3.519 30 20 CHED Cc1cc(NC(=O)CCCCCC(C)C)n(CCC#N)n1 747876529 GVATXBKYWSYZRJ-UHFFFAOYSA-N 290.411 3.650 30 20 CHED C=CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 748297033 AGXWJXYIGBXQKS-UHFFFAOYSA-N 286.419 3.600 30 20 CHED Cc1cccc2c1OC/C(=C/c1cc(C#N)cs1)C2=O 748440131 HZBRXPRFUMOXOQ-SDQBBNPISA-N 281.336 3.587 30 20 CHED C=CCN(C(=O)N[C@H]1CCC(C)(C)C[C@H]1C)C(C)C 748970797 ZTZKUAVVJUTFDW-KGLIPLIRSA-N 266.429 3.807 30 20 CHED CC(=NNc1cccc(F)c1)c1cc(F)cc(F)c1O 757460853 HLXDTGRFKTTXQO-UHFFFAOYSA-N 280.249 3.646 30 20 CHED CC1(C)CCC/C(=C\c2ccc3c(c2)CCO3)C1=O 757534556 MMTKXPCPDWUMBU-SDNWHVSQSA-N 256.345 3.784 30 20 CHED C#CC[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 757580175 QZXOKKMFBNPUDE-DZJNRPSUSA-N 281.399 3.694 30 20 CHED C=CCN(Cc1cc(Br)cc(C)c1O)C1CC1 757923608 KUHGMQQTKMVZSW-UHFFFAOYSA-N 296.208 3.614 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C/c1cccs1 759608514 KGABDDVCGGFMEJ-SOFGYWHQSA-N 297.383 3.703 30 20 CHED CCC(CC)NN=Cc1cnc(C2CCC2)s1 760259978 ZMBPITZZDZRHJK-UHFFFAOYSA-N 251.399 3.523 30 20 CHED CCO[C@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)C(C)C 761142403 FTQKTSMSSNXAGO-XJKSGUPXSA-N 289.375 3.614 30 20 CHED Cn1cc(NN=CC2CCC(C(C)(C)C)CC2)cn1 761867238 OYJAMSCVNKOVHW-UHFFFAOYSA-N 262.401 3.670 30 20 CHED C#CCCc1noc(-c2oc3c(C)ccc(C)c3c2C)n1 762016372 ONTRVXQXXWIGPH-UHFFFAOYSA-N 280.327 3.974 30 20 CHED COc1ccsc1/C=C\C(=O)c1cc(F)ccc1F 764432117 IJNYUOLGHNUAGI-PLNGDYQASA-N 280.295 3.931 30 20 CHED COc1ccsc1C=NNc1cc(F)c(F)cc1F 764692171 MJHNRPIPKFAWFZ-UHFFFAOYSA-N 286.278 3.620 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2ccc(C)c(C)c2)c1 766501068 DWOYDVPBZUOMEJ-VOTSOKGWSA-N 284.311 3.579 30 20 CHED C#C[C@@H](C)N(C)C(=O)CC(c1ccccc1)c1ccccc1 767252991 UDJGVVRCWRQMIU-MRXNPFEDSA-N 291.394 3.689 30 20 CHED Clc1ccc(C=NOCc2ccc(Cl)cn2)cc1 767533836 FWYCLNULGFZNBH-UHFFFAOYSA-N 281.142 3.939 30 20 CHED C[C@H]1CCC[C@@H](C=Nn2c(S)nnc2C(C)(C)C)C1 768351713 IKKSTIMQKLLDIT-WDEREUQCSA-N 280.441 3.525 30 20 CHED COc1ccc(NN=C[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 768367978 UMQQIZYFCAWDNP-RYUDHWBXSA-N 291.351 3.827 30 20 CHED Cc1cccc2c1C/C(=C/c1cn(C)nc1C(C)(C)C)C2=O 769610109 OIFCPVKZLWLMCN-LCYFTJDESA-N 294.398 3.848 30 20 CHED Cn1cc(CC/N=C\c2ccccc2O)c2ccc(F)cc21 769718892 WGMYZSWNIOBUME-JAIQZWGSSA-N 296.345 3.685 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(CCC(C)C)cc1 770328447 ZOAKCGVPTPGODI-AWEZNQCLSA-N 272.392 3.761 30 20 CHED CCCCCCCC(=O)N[C@@H](CO)c1ccccc1C 771221654 HODQWULSBBZLNC-INIZCTEOSA-N 277.408 3.505 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2)c(F)c1 772804413 XAIMKCICRQNTKB-ONEGZZNKSA-N 287.240 3.872 30 20 CHED C#CCOc1ccc([C@@H](C)NCCSC(C)(C)C)cc1 772951284 AICXQZCOVUIIDN-CQSZACIVSA-N 291.460 3.881 30 20 CHED CC(C)c1nccnc1NN=C/C=C\c1ccc(F)cc1 773079338 XFAMIHRJUHGCNI-MTSIVMMLSA-N 284.338 3.850 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=Nn1cnc2ccccc21 773191441 SAFCIEAVHMVUBE-UONOGXRCSA-N 253.349 3.863 30 20 CHED C=C(CC)COC(=O)c1cnn([C@H](C)CC)c1C1CC1 773548103 XAXXFFRUOROAFK-GFCCVEGCSA-N 276.380 3.855 30 20 CHED CCc1ccc(/C=C2/CC(=O)Nc3ccccc3C2=O)s1 774140670 ICIUQGCXBGNQDV-LUAWRHEFSA-N 297.379 3.919 30 20 CHED CC(C)Oc1ccccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774594021 WSNLDEBBXFEYRU-DZKIICNBSA-N 272.392 3.586 30 20 CHED C=CC[C@@H](CO)CNCc1ccccc1-c1ccccc1 774829264 ZCZYEHGHGNTQFF-MRXNPFEDSA-N 281.399 3.628 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(Cl)cc1OC 776077533 IYYCFSFURAEDJF-UHFFFAOYSA-N 282.771 3.779 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N[C@@H]1CCCOCC1 776320270 KGYDMEXHFLXSOE-HZPDHXFCSA-N 298.471 3.851 30 20 CHED Cc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)cc1 776359892 OFHCRAAAQKELHY-HNNXBMFYSA-N 257.333 3.624 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1ccncc1 777448880 RZCKGUXSHMSSJF-SFHVURJKSA-N 281.403 3.663 30 20 CHED C(=NOC1CCCCC1)[C@@H]1CCOc2ccccc21 777459406 PYYFDEOTJUAKLJ-ZDUSSCGKSA-N 259.349 3.888 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(C)c(C)c1 777462476 BYHYQHWSANGEOY-UHFFFAOYSA-N 259.271 3.996 30 20 CHED C=CCN(C)C(=O)/C=C(\CC)c1cccc(Cl)c1 777842926 KTCSAMFJQYKQEI-VAWYXSNFSA-N 263.768 3.778 30 20 CHED COC[C@@H](C)C(C)=NNc1ccccc1C(F)(F)F 777879415 PDFPCRRHRDWUMW-SECBINFHSA-N 274.286 3.776 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 778187462 QXTGTGHPMYYVRD-KRWDZBQOSA-N 283.415 3.963 30 20 CHED C#CCCCCCC(=O)Nc1cc(OC)ccc1OCC 779916706 DMTBOUWSPREYCV-UHFFFAOYSA-N 289.375 3.616 30 20 CHED O=C1/C(=C\c2ccc3ncccc3c2)Cc2cc(O)ccc21 780187983 IVHKHBPXWCNREF-DHDCSXOGSA-N 287.318 3.763 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(SC)ccc1Cl 781131235 FZGSKCFPLWEIKU-MRVPVSSYSA-N 269.753 3.521 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1F)c1cscn1 782206145 HBCKLXNMPZZPAX-DUXPYHPUSA-N 267.712 3.832 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NN[C@H]1CCCC1(C)C 782289326 UMXZLUXDAPKZDW-LBPRGKRZSA-N 296.846 3.699 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C/c1ccc2[nH]ccc2c1 785856162 HIBZGLGSNCKWPP-MNDMWVCDSA-N 280.371 3.748 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)nc(Cl)c1 785857937 OZHWEFORVDNKBU-SNVBAGLBSA-N 285.174 3.569 30 20 CHED C#CCC1(C(=O)N[C@H](C)Cc2cccs2)CCCCC1 788137007 ZTYGOBKGWGCHNQ-CQSZACIVSA-N 289.444 3.769 30 20 CHED CC(C)c1nccnc1NN=Cc1cc2ccccc2[nH]1 788441174 JXLVOQIFTXCLHA-UHFFFAOYSA-N 279.347 3.527 30 20 CHED O=C(O)[C@H]1CCC(=NOC2CCCCC2)c2ccccc21 789051527 RUJGPJZJMXMZEQ-HNNXBMFYSA-N 287.359 3.702 30 20 CHED C=CCOc1ccc(C=NN[C@H](C)CC)cc1Cl 790184506 WTVJTKHRGOKZCV-LLVKDONJSA-N 266.772 3.627 30 20 CHED CC(=NNc1ncccc1C)c1ccc(C)c(C)c1 790191013 OQQRFGPJMHOOBA-UHFFFAOYSA-N 253.349 3.843 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)c1nc(C)no1 792178346 ZLMGSWNKALUIED-RYUDHWBXSA-N 253.390 3.778 30 20 CHED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O[C@@H](C)C#N 792509649 CPKBFBLWHYXXAC-JQWIXIFHSA-N 299.292 3.729 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2C)cc1C=O 793281115 NZWDFIGJAIRBHL-UHFFFAOYSA-N 292.338 3.548 30 20 CHED CCCc1nc(C)c(C/N=C\c2cc(Cl)ccc2O)o1 793665727 CUEAKYCMVYGRJO-IUXPMGMMSA-N 292.766 3.914 30 20 CHED CSCCON=C(CC1CCCCC1)c1ncccn1 794573056 OXEKETHXDFSXJA-UHFFFAOYSA-N 293.436 3.531 30 20 CHED CSCCON=Cc1cc(Cl)cc2cccnc12 794574251 ZTWVSIXXYSOEIO-UHFFFAOYSA-N 280.780 3.602 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2ccnc(F)c2)c1 794720764 UGCWAMBFBDOOQB-SREVYHEPSA-N 285.318 3.906 30 20 CHED c1ccc(NN=C2c3ccccc3CC23CCOCC3)cc1 794856528 MWCYOOHYGSPYQL-UHFFFAOYSA-N 292.382 3.856 30 20 CHED Clc1ccc(NN=C2CCC[C@@H]2c2ccccn2)cn1 794914146 HDHDWEPTXHTTPH-GFCCVEGCSA-N 286.766 3.866 30 20 CHED CCC(CC)CNN=Cc1cscc1Br 794931328 TYGPCYZDKPLFGQ-UHFFFAOYSA-N 289.242 3.870 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCc2ccc(F)cc2)cc1 796041477 URPBGVJHTSFULS-UHFFFAOYSA-N 297.329 3.984 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ncccc1Cl 796586205 APBBBAXOMWUEJV-UHFFFAOYSA-N 280.755 3.612 30 20 CHED N#C[C@H](C(=O)CC1CC(c2ccccc2)C1)c1ccccn1 798815588 ANOYNBGOPXALMS-PREGVCBESA-N 290.366 3.842 30 20 CHED Cc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1C#N 799309538 SEIFYRXEHANFDW-BMGDILEWSA-N 296.414 3.908 30 20 CHED C#CCOc1ccccc1CNC[C@@H]1CCCC(F)(F)C1 800276036 HJSPWMIILGUNJB-CQSZACIVSA-N 293.357 3.614 30 20 CHED CC(C)CC[C@H](NCc1ccc(OCC#N)cc1)C1CC1 802303527 JEEYXZYYFSKPHS-SFHVURJKSA-N 286.419 3.893 30 20 CHED N#CCCCOC(=O)c1cc(F)c(Cl)cc1Cl 804630999 LWIIIRAQQYDZOX-UHFFFAOYSA-N 276.094 3.593 30 20 CHED C=C(Cl)COC(=O)c1csc(-c2cccs2)n1 804982587 CDESAMBHCXCLGI-UHFFFAOYSA-N 285.777 3.781 30 20 CHED C=CCCCCCCNC(=O)NCC[C@@H]1CCO[C@@H](C)C1 805277433 BSHUWPXUQQIJCK-JKSUJKDBSA-N 296.455 3.627 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2c[nH]c(C(F)(F)F)c2)cn1 806566848 QDKKCZFQSBYPNV-ONEGZZNKSA-N 297.280 3.707 30 20 CHED C=CC[C@H]1N(C(=O)C2=C(C)OCCS2)CCCC1(C)C 807425349 QNVBOLSDWBPYHN-CYBMUJFWSA-N 295.448 3.575 30 20 CHED C[C@H]1CC(=NOCCC(F)(F)F)c2ccccc21 807983586 QVZPTHHUCVJJMZ-VIFPVBQESA-N 257.255 3.867 30 20 CHED COc1cc(OC(=O)C(C2CCC2)C2CCC2)ccc1C#N 808779970 OMKWKMAHXNCAFC-UHFFFAOYSA-N 299.370 3.689 30 20 CHED C#C[C@H](NC1CC(OC(C)C)C1)c1ccc(Cl)cc1F 809699943 URCAFHDSJJSOIG-ZUEPYMLJSA-N 295.785 3.699 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 809776195 YJPSFRAOWWJZSR-SKDRFNHKSA-N 299.201 3.871 30 20 CHED CCCCCCCn1cnc2scc(C)c2c1=O 809984727 WOEGADMAHYKPEC-UHFFFAOYSA-N 264.394 3.737 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(N2CCCCC2=O)cc1 810129967 SEINJLZDGIEVLA-OAHLLOKOSA-N 286.419 3.820 30 20 CHED C=CCCCCCCCNC(=O)CC1(O)CCCCC1 811590400 ZKRIQHPTQOSUCO-UHFFFAOYSA-N 281.440 3.715 30 20 CHED CCCCCCCCC(=O)Nc1cc(C2CC2)n(C)n1 811609508 JBWKVROLRRFSKK-UHFFFAOYSA-N 277.412 3.987 30 20 CHED CC(CCCCNC(=O)OC(C)(C)C)=NOCC(C)C 811645625 UFOYTHJSODQXIK-UHFFFAOYSA-N 286.416 3.730 30 20 CHED Cl/C=C/CON=Cc1ccccc1Br 811669870 KPAKKYOTGSFSIL-WRWLHXTISA-N 274.545 3.552 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1nccc3ccccc13)C2 811694617 SAOCGARGHYAFLW-LFIBNONCSA-N 296.329 3.929 30 20 CHED COc1ccc(F)cc1C=NNc1cc(F)c(F)cc1F 812226467 NPEBNMZWECYDNL-UHFFFAOYSA-N 298.239 3.698 30 20 CHED Cn1cc(/C=C/C(=O)c2cccc(F)c2F)c(C(F)F)n1 812244029 YEWBCIYXMVARRN-AATRIKPKSA-N 298.239 3.532 30 20 CHED C[C@H]1CC(CCOC(=O)CCCC#N)C[C@H](C)C1 812615443 GJXLVLVDUWLUCC-CHWSQXEVSA-N 251.370 3.686 30 20 CHED C#CCOc1ccccc1NC(=O)N(CC)CC(C)(C)C 812964836 VFPBLVWTCXWHBF-UHFFFAOYSA-N 288.391 3.599 30 20 CHED CC(=NNC[C@H](C)C#N)c1sc(-c2ccccc2)nc1C 814881210 LNFPFVCZDMPYOB-LLVKDONJSA-N 298.415 3.592 30 20 CHED c1ccc(C[C@@H]2CCC(=NO[C@H]3CCCCO3)C2)cc1 814888096 PRLJLOHAVKYMJB-RDJZCZTQSA-N 273.376 3.928 30 20 CHED FC(F)(F)CNN=C1CC[C@@H](Cc2ccccc2)C1 814904515 MNIMUEMAMWOYMT-LBPRGKRZSA-N 270.298 3.537 30 20 CHED Cc1cccnc1NN=C1CS[C@H](C(C)(C)C)C1 814911860 VGNKMBLYNITMCH-LBPRGKRZSA-N 263.410 3.710 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NN=C1CCC[C@@H](C#N)C1)C2 814919094 LBKUNXZDGKBJDV-CXUGXGMPSA-N 273.424 3.861 30 20 CHED Fc1ccccc1C=NNc1nnc(-c2ccccc2)s1 814946373 HQZQGOABVKTINC-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C=CCC(F)(F)C(=O)NCc1cccc(OCCCC)c1 815037608 QGOJXKCFBVLSFU-UHFFFAOYSA-N 297.345 3.693 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C2CCCCC2)nn1C 815821646 CFIHPUFJPMYJDC-UHFFFAOYSA-N 297.349 3.618 30 20 CHED N#C[C@@H](C(=O)C(F)=C1CCCC1)c1nc2ccccc2[nH]1 815898314 ZEPZBKLDVCYLGJ-NSHDSACASA-N 283.306 3.537 30 20 CHED CCCCCCCCC/C=C/C(=O)Nc1nc(C)n(C)n1 817019679 RYDHUWNACZPWNB-OUKQBFOZSA-N 292.427 3.759 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccccc1 820604662 GLDXWHMADLOELF-HYVNUMGLSA-N 284.403 3.581 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)OCCCC(C)(C)C#N 820931443 IZPDYQCWOBUJNO-OLZOCXBDSA-N 251.370 3.686 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cccc(C2CC2)c1)OCC 822168235 YYNRDZSGBJSELG-INIZCTEOSA-N 274.360 3.841 30 20 CHED C=CCC1(NCc2c(C)nn(C)c2Cl)CCCCC1 825025173 ZBTDHCMVOAPOSU-UHFFFAOYSA-N 281.831 3.751 30 20 CHED C=CCCCCN1CCC(C)(NC(=O)OC(C)(C)C)CC1 829093401 YQLRZFZKEICVDP-UHFFFAOYSA-N 296.455 3.722 30 20 CHED C=C[C@H](CC(=O)Nc1ccccc1C(=O)O)c1ccccc1 833371618 SNUOAFYCXYJQGL-CYBMUJFWSA-N 295.338 3.683 30 20 CHED CC(Cc1cnccn1)=NN[C@H](C)c1ccc(C(C)C)cc1 834943368 YTHDVYRZLWZFAY-OAHLLOKOSA-N 296.418 3.869 30 20 CHED CC(CC(C)(C)C)=NNc1oc(CC(C)C)nc1C#N 834947016 AAZLMBVDUHNNIM-UHFFFAOYSA-N 276.384 3.969 30 20 CHED CO[C@](C)(C=NNc1c(C)cccc1Cl)C1CC1 835011149 NJNIZDWXOPEEDS-CQSZACIVSA-N 266.772 3.861 30 20 CHED CC[C@H](CC(=O)O[C@@H]1CCC[C@@H](C#N)C1)C(C)C 839048227 CLYWGBTVTSXSJU-MGPQQGTHSA-N 251.370 3.684 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccccc1O[C@@H](C)C#N 839322098 RORRZJDUOXRNBE-UONOGXRCSA-N 288.391 3.988 30 20 CHED CC(CCCCC#N)=NNCc1cc(F)ccc1F 841620142 UVESSVUEIYKDBP-UHFFFAOYSA-N 265.307 3.514 30 20 CHED CC(=NOCc1cccnc1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842529230 RSGPIHAJRCYVRJ-BPUTZDHNSA-N 256.349 3.576 30 20 CHED C#CCCCc1nc(-c2cc(C(C)(C)C)ccc2OC)no1 843028427 ZXRIPMNVHBAQAI-UHFFFAOYSA-N 298.386 3.999 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2nc(Cl)c(C#N)s2)CC1 843590533 KHIBWOMHORGNRI-SECBINFHSA-N 295.795 3.743 30 20 CHED Oc1nc2ccccc2cc1/C=N\C1CC2(CCC2)C1 844272181 VZADENKGBHDAME-WQRHYEAKSA-N 266.344 3.692 30 20 CHED C=C[C@@H](C)ONC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 846545444 HBQTZJDRILHHBS-BDAKNGLRSA-N 288.174 3.719 30 20 CHED Cc1cc(C#N)ccc1N[C@H]1CCO[C@H](c2ccncc2)C1 846752872 JDLJRQRDQRWYFZ-WMZOPIPTSA-N 293.370 3.594 30 20 CHED C=C[C@@H](C)ONC(=O)CCc1c(Cl)cccc1Cl 848245116 ICWYFOYSQKRBQT-SECBINFHSA-N 288.174 3.548 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc2c(c1)CCCO2 850468649 JOVVBZQWTNTXDR-AWEZNQCLSA-N 286.419 3.992 30 20 CHED CC(C)CC1(N[C@@H](C)c2ccc(OCC#N)cc2)CC1 850566013 JZSCDKJBTFXELN-AWEZNQCLSA-N 272.392 3.818 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C/SCc1ccco1 851209476 LNHGSCCNMVQABP-WAFBPQNNSA-N 293.388 3.898 30 20 CHED C=CC(C)(C)CCOC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C 851299892 CSBGTDUPMSASRB-STQMWFEESA-N 280.408 3.773 30 20 CHED CC(C)(C)c1ccn(CCCOc2ccc(C#N)cc2)n1 853704599 REEZMYFNJLNCCQ-UHFFFAOYSA-N 283.375 3.521 30 20 CHED N#CC1(c2ccccc2-c2cnn([C@@H]3CCCCO3)c2)CC1 854211350 WIAGREZOYIMAQY-KRWDZBQOSA-N 293.370 3.804 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](O)c1cccc2ccccc12 855484298 XIMIWXYBEJGISL-QGZVFWFLSA-N 297.398 3.592 30 20 CHED N#CC1CCC(CNC(=O)/C=C\CCc2ccccc2)CC1 868053819 YJVBVEHJCWSSCR-UITAMQMPSA-N 296.414 3.622 30 20 CHED C[C@]1(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H]2CC[C@H]1C2 876349558 ZXELMQXJOPWJCO-QEKSWQHZSA-N 290.313 3.601 30 20 CHED CCN(CC)c1ccc(CNC[C@H](C)CCC#N)cc1F 877026610 CXJZQURGDMFOFB-CQSZACIVSA-N 291.414 3.701 30 20 CHED Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)c(O)c1 877594410 SSSHREAWXPOFAF-SFHVURJKSA-N 292.382 3.740 30 20 CHED Cc1nc(C#N)cc(SC[C@@H](C)c2ccccc2)n1 882283680 CDJYPYRNJRRJAO-LLVKDONJSA-N 269.373 3.553 30 20 CHED C=C1CC(c2noc(-c3cc(C4CC4)n(C(C)(C)C)n3)n2)C1 896883550 DWBZTOMUGRUTCC-UHFFFAOYSA-N 298.390 3.999 30 20 CHED CC(C)(C)Oc1cc(F)ccc1NCc1cc(C#N)ccn1 901402805 WOCYJWIVAYRTBJ-UHFFFAOYSA-N 299.349 3.882 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(Br)c(F)c1 903100235 LAMVHKQBTAICCQ-VIFPVBQESA-N 299.187 3.789 30 20 CHED C/C(=C(\F)C(=O)Nc1ccccc1O[C@H](C)C#N)C1CC1 907261053 CLZTZPISCCQJNQ-YMQUWAGYSA-N 288.322 3.569 30 20 CHED C=C[C@H](CC)CC(=O)OCc1cncn1Cc1ccccc1 909524263 FNDFVBAIEFJYDP-OAHLLOKOSA-N 298.386 3.577 30 20 CHED C=CCN(C(=O)c1oc2ccccc2c1C)C(C)C 915147835 NADRRPFVVKQLEH-UHFFFAOYSA-N 257.333 3.778 30 20 CHED Cc1nn(C)c(Cl)c1/C=C/C(=O)c1c[nH]c2ccccc12 915271247 PZVFZUDNEMMWJJ-BQYQJAHWSA-N 299.761 3.759 30 20 CHED Cc1ccc(C=NNc2nc3ccccc3[nH]2)c(C)c1 915915729 JAHAHVGMTSLEKA-UHFFFAOYSA-N 264.332 3.626 30 20 CHED Brc1ccccc1C=NNCc1ccccc1 916344084 LQVHXPJZPQWAHD-UHFFFAOYSA-N 289.176 3.573 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C=C1CCCC1 917827529 BKCYKWCRKGRVRX-UHFFFAOYSA-N 285.387 3.710 30 20 CHED C=CCc1cc(OCC)cc(CN2CCC(C)CC2)c1O 919935692 JWVFIBLSFYJEOH-UHFFFAOYSA-N 289.419 3.751 30 20 CHED CC(C)CN(C(=O)C[C@@H](C)C1CC1)c1ccc(C#N)cc1 920819758 YLQDRRKTCYOUSZ-CQSZACIVSA-N 284.403 3.983 30 20 CHED CSCc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 926233386 BBZMIYGQFFKFNN-CYBMUJFWSA-N 276.449 3.968 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N[C@H](C)c1ccc(C#N)cc1 929940963 JTGAKXAAKBFTHK-HUUCEWRRSA-N 292.382 3.848 30 20 CHED CO[C@](C)(C1CC1)[C@H](C)NCCCCC1(C#N)CCC1 930714629 BJDSRIZIWOXCTI-HOCLYGCPSA-N 278.440 3.644 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1nc2ccccc2n1CC 932206852 POGHDIWFKCMYID-KGLIPLIRSA-N 299.418 3.836 30 20 CHED C[C@@H](c1ccccn1)N1CCC(c2ccc(C#N)cc2)CC1 933609542 BKRBUMILDURIGE-HNNXBMFYSA-N 291.398 3.894 30 20 CHED CC(C)(C)c1ncc(C=NNCc2ccc(F)cc2)s1 1116291172 JCSBOKRXUSAOOD-UHFFFAOYSA-N 291.395 3.703 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C#N)cc2)ccc1F 1116377815 PNPIUKQMVBDMPX-UITAMQMPSA-N 281.286 3.602 30 20 CHED C=CCC[C@H](NC(=O)/C=C\c1nccs1)c1ccccc1 1121022210 YGYWEKUTLRDNMV-WOLCWHLNSA-N 298.411 3.980 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)c1cc(C)c(C#N)cn1 1162786409 IHEVQAXXPAAFID-HIFRSBDPSA-N 257.381 3.667 30 20 CHED N#Cc1ccsc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 1207288125 YRUZINOWRKCGTH-NTZNESFSSA-N 289.404 3.710 30 20 CHED CCC1CCN(Cc2ccc(Cl)cc2C#N)CC1 1232604910 NBWPCTQNGDZXFE-UHFFFAOYSA-N 262.784 3.834 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)CC#Cc2ccccc2)C1 1252962158 DZHGTVSJRVVNHG-DOTOQJQBSA-N 269.388 3.513 30 20 CHED COc1cccc(NC(=O)[C@H](CC#N)c2ccccc2)c1C 1279287226 VMQPHDAJCQLGMR-OAHLLOKOSA-N 294.354 3.640 30 20 CHED N#Cc1cnc(Oc2ccccc2OC(F)(F)F)c(F)c1 1307090622 MAKGSTHFMSFDBU-UHFFFAOYSA-N 298.195 3.783 30 20 CHED CC(=O)c1ccc(C)cc1OCc1ccc(C#N)c(C)c1 1320899889 LTHYFJCCHRATGF-UHFFFAOYSA-N 279.339 3.957 30 20 CHED Cc1cc(CNc2ccc(C(C)(C)C)nn2)ccc1C#N 1320901523 WPUZWSRNGYAFOT-UHFFFAOYSA-N 280.375 3.566 30 20 CHED N#Cc1cnc(Oc2cnc(F)cc2Cl)c(Cl)c1 1322528317 KUFRYXDZMDJWIG-UHFFFAOYSA-N 284.077 3.586 30 20 CHED N#C[C@H]1CCCN(c2nc(-c3ccccc3)cs2)C1 1333847756 AIXPASURAWCQEJ-GFCCVEGCSA-N 269.373 3.550 30 20 CHED CCC(C#N)(CC)C(=O)N1CCc2cc(C)cc(C)c2C1 1339404014 RMEUSMXWGFABIR-UHFFFAOYSA-N 284.403 3.518 30 20 CHED Cc1cccc([C@@H]2CCCN2c2cc(C#N)cc(Cl)n2)n1 1339631216 ZAOBBQAWUXEFGK-AWEZNQCLSA-N 298.777 3.652 30 20 CHED C=CCn1c([C@@H]2CC=CCC2)nnc1N(C)Cc1ccco1 1340554477 IVVDOUCATWGKRT-CQSZACIVSA-N 298.390 3.517 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2cccc(F)n2)C1(C)C 1344002935 DUMWGJMAXSMXRF-JMSVASOKSA-N 286.350 3.635 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(F)c1 1345865164 YCHCPXCGYWWPRK-AWEZNQCLSA-N 287.338 3.660 30 20 CHED CC(F)(F)C1(C(=O)OCCC2(C#N)CCCCC2)CC1 1346841372 AUVRQDDKYXLILM-UHFFFAOYSA-N 285.334 3.829 30 20 CHED C[C@@H](COc1ccccc1F)NC1CCC(C)(C#N)CC1 1347781577 GPOFYIUUHNVAGG-CBCUQQMYSA-N 290.382 3.655 30 20 CHED C=C(CC)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F 1352197917 GCGQTSPDUIXAHY-JTQLQIEISA-N 287.281 3.921 30 20 CHED CCc1ccc(N[C@H](C)c2cccc(C#N)c2)nc1 1354120858 RXMQDABAZGIHLF-GFCCVEGCSA-N 251.333 3.689 30 20 CHED CCC[C@H](NC(=O)Nc1cccc(C#N)n1)c1ccccc1 1476791086 AHEIHLHLJJNSTH-HNNXBMFYSA-N 294.358 3.616 30 20 CHED C=C(Cl)Cn1c(N(CC)CCC)nnc1C(C)(C)C 1507875770 XJMKTLZBZMDZST-UHFFFAOYSA-N 284.835 3.564 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1ccc(F)cc1F 1514860807 ZRNPOQWTCARIJF-OAHLLOKOSA-N 293.357 3.855 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1F 1517351291 SNWRPRKZZVGJGT-GFCCVEGCSA-N 280.318 3.927 30 20 CHED CC[C@@](C)(NC(=O)c1ccc(C)c(C#N)c1)c1ccccc1 1521853932 AKAWMZNVHNTJRO-LJQANCHMSA-N 292.382 3.922 30 20 CHED C#CC[C@@H](C)OC(=O)c1csc(C2CCCCC2)n1 1524747515 USCDFEUKFYBJAK-LLVKDONJSA-N 277.389 3.759 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2cccc(C#N)c2)[C@@H]1C 1527767723 KCUHQDVBFXFENC-JMSVASOKSA-N 257.333 3.540 30 20 CHED C=C(CC)C(=O)Nc1cc(C(F)(F)F)ccc1C 1527929960 BECPVDMVMGXEPZ-UHFFFAOYSA-N 257.255 3.919 30 20 CHED COc1ccc([C@H](C)CN2CCc3ccc(C#N)cc32)cc1 1559720692 QITXGFYJOQPECM-CQSZACIVSA-N 292.382 3.733 30 20 CHED C=CC[C@@H]1CC[C@H](N[C@H]2C[C@@H](C(=O)O)c3ccccc32)C1 1588457968 NOVDNHFJFZVQFT-GFOFROLCSA-N 285.387 3.634 30 20 CHED C=C[C@H](Nc1ccc(Oc2ccccc2)cc1OC)C(=O)O 1588702234 NTDAGDRNBURXGZ-AWEZNQCLSA-N 299.326 3.539 30 20 CHED C=C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)O 1588702755 XMBCFJNGERBLAO-CYBMUJFWSA-N 267.284 3.637 30 20 CHED N#Cc1cc(F)cc(NC(=O)Cc2cccc(C3CC3)c2)c1 1596854825 AHLFJBUHUAMBLW-UHFFFAOYSA-N 294.329 3.756 30 20 CHED C[C@H]1CCC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 1634291278 IZTXHOFTSZXFIT-JQWIXIFHSA-N 292.329 3.535 30 20 CHED CCOC(=O)c1ccc(C#N)c(S[C@H](C)[C@@H](C)CC)n1 1640838431 NACIVIMLPQFMQI-WDEREUQCSA-N 292.404 3.657 30 20 CHED C[C@H](c1cccc(C#N)c1)N1Cc2cc(F)c(F)cc2C1 1646448385 KSKYTLQGOPZIRS-LLVKDONJSA-N 284.309 3.913 30 20 CHED C=C(Cl)COc1ccc(C(F)(F)F)cc1F 1656515705 RKAQNLPIINTRFP-UHFFFAOYSA-N 254.610 3.976 30 20 CHED C[C@@H]1CC(NC(=O)Nc2cc(C#N)ccc2F)C[C@@H](C)C1 1662505123 OOTSHLNEHDEFER-QWRGUYRKSA-N 289.354 3.644 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccc(F)c(C(=O)O)c2)C1 1776062392 RWXQXDHISLBSHH-GHMZBOCLSA-N 278.327 3.748 30 20 CHED O=C(O)c1cc(NN=Cc2sccc2Cl)ccc1F 1776062668 FEBDQBSUQCFCLK-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C=CCN(Cc1ccc(Cl)cc1)[C@H](CCC)C(=O)O 1776180580 SLALLFZBLACVHQ-CQSZACIVSA-N 281.783 3.581 30 20 CHED C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1C1CCCC1 6531324 VYDLUQPVVNNPKI-NSHDSACASA-N 299.399 3.516 30 20 CHED C=CCSc1nnc(Nc2ccccc2F)s1 6595478 ZPPCLSUBXDXDRF-UHFFFAOYSA-N 267.354 3.699 30 20 CHED Cc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1F 43280764 CBKGYHWEFABVKU-GFCCVEGCSA-N 297.333 3.889 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1C 49904446 XZNPSLJNIOZAPB-INIZCTEOSA-N 298.773 3.952 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)c1sccc1C#N 52035700 ZPZAIQGUAPFBQA-VIFPVBQESA-N 276.386 3.514 30 20 CHED CC(C)c1ccc(Sc2nccnc2C#N)cc1 54380504 JVOPUUKCZSHBHH-UHFFFAOYSA-N 255.346 3.623 30 20 CHED Cc1c(Cl)cccc1NC(=O)[C@H](C)SCCC#N 58256488 YKXYLKKRNNKAEB-JTQLQIEISA-N 282.796 3.622 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)c1nnc2n1CCC2 59487396 DUMSUHRZROQMER-KGLIPLIRSA-N 278.444 3.624 30 20 CHED CCN(Cc1csc2ccccc12)C[C@H](C)C#N 66424648 VDMHRJRLCAMACZ-GFCCVEGCSA-N 258.390 3.883 30 20 CHED C[C@@H](c1cccc2ccccc12)N(C)C[C@@H](C)C#N 66469000 ZBMPHIUBHHTNRE-KBPBESRZSA-N 252.361 3.992 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(O[C@@H](C)CC)c1 69359444 MBKHFUKYNGRIFC-KBPBESRZSA-N 291.391 3.784 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(OCC#N)cc2)[C@H](C)C1 70112075 SALNXQLCQGEFGQ-CKEIUWERSA-N 272.392 3.503 30 20 CHED CCC(C)(C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 73080939 LJQNXXBZFWTPLG-CYBMUJFWSA-N 278.783 3.847 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(F)c(C#N)c2)C1 77500099 SSZKEJXWMOIIOY-FZMZJTMJSA-N 289.354 3.740 30 20 CHED CC(C)N(C(=O)c1cccc(SCC#N)c1)C1CCC1 79527665 FMTRTBSOGDWAHB-UHFFFAOYSA-N 288.416 3.705 30 20 CHED Cc1ccc(C[C@@H]2CCCN2CCCSCC#N)cc1 80628751 XFOHNDCCLGXEAN-KRWDZBQOSA-N 288.460 3.649 30 20 CHED Cc1cc([C@H](C)NCCC(C)(C)C#N)c(C)s1 87591680 IQOJERCCLFWPRN-NSHDSACASA-N 250.411 3.955 30 20 CHED CCc1ccc(OCCCC(C)(C)C#N)c([N+](=O)[O-])c1 87609066 KIJJIDCMYKNWHA-UHFFFAOYSA-N 276.336 3.866 30 20 CHED N#Cc1c(F)cccc1Oc1cccc(F)c1C#N 93406796 AVHBVRVCOXJLTR-UHFFFAOYSA-N 256.211 3.500 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C\c2cnn(C)c2)cc1 96939692 RZWLLHRYPNTDGN-TWGQIWQCSA-N 268.360 3.515 30 20 CHED CCOc1ccccc1OCc1ccc(F)cc1C#N 103135401 UDIZCMVXDNQVNJ-UHFFFAOYSA-N 271.291 3.675 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CC(C)(C)O1 105340821 DTVHVCPZGZMZDB-SNVBAGLBSA-N 298.308 3.581 30 20 CHED Cc1ccc(-c2noc(-c3cccc(C#N)c3)n2)cc1F 109506328 STLMTSNUBOGHRW-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CCCCCCCCCC(=O)N[C@](C)(C#N)CC 111325379 HTSYLWWIRAFHKJ-HNNXBMFYSA-N 252.402 3.936 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(SC)o1 112234243 UJWYFDUKGXYLHB-UHFFFAOYSA-N 287.384 3.830 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](CC)c1ccccc1 113480840 PPWVRCFNUPKNOZ-DZGCQCFKSA-N 262.349 3.662 30 20 CHED CCCCCCCC(=O)Nc1ccc(O)cc1F 113627411 BWHTYLORBJKSJB-UHFFFAOYSA-N 253.317 3.830 30 20 CHED N#Cc1ccsc1NC(=O)C[C@H]1CCc2ccccc21 115203535 AUNPXEBNMMOEDT-GFCCVEGCSA-N 282.368 3.678 30 20 CHED C[C@H](CC(=O)Nc1sccc1C#N)c1cccc(F)c1 115974061 BYUDBDMLKKOLRZ-SNVBAGLBSA-N 288.347 3.891 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](C)c1cccc(F)c1 115985215 GQYIBSQXRSGHOK-CYBMUJFWSA-N 263.356 3.744 30 20 CHED Cc1cc(C)cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 116808306 VPVVEDCNFITUBF-SJCJKPOMSA-N 270.376 3.506 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(OCCCC)c(OC)c1 116860314 MFCCNRACMTZXOU-CYBMUJFWSA-N 291.391 3.569 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(F)c(Cl)c1 116996862 OYANHUJBLDGMKC-QMMMGPOBSA-N 256.708 3.565 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1(C#N)CCC1 119400028 SGCIJUOMNLLBHN-CQSZACIVSA-N 284.403 3.553 30 20 CHED C#CCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 119878833 FXABEQHMZYUXCV-SJORKVTESA-N 283.415 3.893 30 20 CHED CCc1ccc(Oc2ccc(Cl)c(C#N)n2)c(OC)c1 120547146 URSZYHKSEYGOSY-UHFFFAOYSA-N 288.734 3.970 30 20 CHED CC(=O)Nc1cc(NCc2ccc(C#N)cc2)ccc1Cl 121926848 VFNACZQIEQJXQQ-UHFFFAOYSA-N 299.761 3.782 30 20 CHED CC[C@H](C)CSCC(=O)Nc1cc(Cl)ccc1C#N 123926004 QXBQLPYXKZKLAI-JTQLQIEISA-N 296.823 3.929 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)Nc1ccccc1 124520002 ZHYXGTKFDJKPCN-UHFFFAOYSA-N 283.327 3.512 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1c(C)n[nH]c1C)CC2 125470120 XRKVCHZWGVMBQJ-ZROIWOOFSA-N 266.344 3.547 30 20 CHED C=C(C)COCCNCc1c(CC)oc2ccccc12 125820227 CFTXBQZDVNFOAG-UHFFFAOYSA-N 273.376 3.678 30 20 CHED Cc1cc(C)c(C#N)c(SCCc2c(C)noc2C)n1 126330843 HFTUXJRKZIHXNE-UHFFFAOYSA-N 287.388 3.510 30 20 CHED C=C(C)CN(C)c1ccc(C(F)(F)F)c(C#N)c1 128069028 ONXUSHSCRFJWOU-UHFFFAOYSA-N 254.255 3.589 30 20 CHED C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(F)cc1C#N 128974164 XCYCCVWRLDMMPB-QMTHXVAHSA-N 290.363 3.683 30 20 CHED C#C[C@@H](OC(=O)c1cccc(Oc2nccs2)c1)C1CC1 134137024 XHUFDICYHGDNTF-CQSZACIVSA-N 299.351 3.504 30 20 CHED CC(C)(C#N)CCOc1ccccc1OC(F)(F)F 134993013 IWGCJSZTQCANSE-UHFFFAOYSA-N 273.254 3.904 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC3(CCC3)C2)c1 152836317 SNADWERWDKGTCR-UHFFFAOYSA-N 286.375 3.659 30 20 CHED C=C(C)CNC(=O)N(C)Cc1csc2ccccc12 156308009 QGGUTWVSTKQUSP-UHFFFAOYSA-N 274.389 3.619 30 20 CHED C=C(C)CN(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 157058308 UHQDXJMYAYYGOK-AEFFLSMTSA-N 272.436 3.547 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)Nc1sccc1C#N 157384186 MEZPRCRDJWJQGU-ZDUSSCGKSA-N 292.404 3.686 30 20 CHED C=C(C)CNC(=O)Nc1cccc(N2CCC(C)CC2)c1 157462903 FYTDRHONYBOPHJ-UHFFFAOYSA-N 287.407 3.621 30 20 CHED N#CCCCCSCCCOc1ccc2c(c1)OCO2 161664286 QFDSZYXOERTBAK-UHFFFAOYSA-N 293.388 3.611 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc2c(s1)CCCCCC2 162143584 WHWWWQLVQICHNT-MRXNPFEDSA-N 290.432 3.829 30 20 CHED N#Cc1ccc(S[C@@H]2CCCCC2=O)c(Cl)c1 163338292 NTDJFLYALCUWLH-CYBMUJFWSA-N 265.765 3.815 30 20 CHED N#Cc1ccccc1SCc1nc(-c2ccsc2)no1 172679462 QYYOGGULTRMSJF-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C=CCOCCCC(=O)Oc1cccc(C(F)(F)F)c1 173141291 HKSIBMWULJKLQG-UHFFFAOYSA-N 288.265 3.594 30 20 CHED C=CCOCCCC(=O)N[C@@H](CC)c1ccc(F)cc1F 173640110 QVLNDPOARBQLHE-HNNXBMFYSA-N 297.345 3.515 30 20 CHED C=CCCCC(=O)NCCCn1ccc2ccccc21 175146318 NVEFBCATUQOYNO-UHFFFAOYSA-N 270.376 3.504 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)N1CCC(C#N)CC1 175442939 AFDKQFQYHNNJAP-ZIAGYGMSSA-N 291.439 3.536 30 20 CHED CC(C)CCSCC(=O)O[C@H](C)c1ccc(C#N)cc1 175771496 ZOWGGWZJLBDICH-CYBMUJFWSA-N 291.416 3.942 30 20 CHED COc1ccc(OC)c(CSc2cccc(C#N)c2)c1 177097693 UYPFBINMHBVPAF-UHFFFAOYSA-N 285.368 3.868 30 20 CHED Cc1ccc(C)c(OCC(=O)Nc2cccc(C#N)c2C)c1 178393599 SRNKBNLPJRXGLK-UHFFFAOYSA-N 294.354 3.501 30 20 CHED Cc1cc([C@@H](C)NC(=O)Nc2cccc(C#N)c2C)c(C)o1 178578464 ZFDGKDPNQPGOAE-GFCCVEGCSA-N 297.358 3.959 30 20 CHED C#CCCCCC(=O)Nc1ccc(Cl)cc1F 179627122 FTMNFUZPRMXFFY-UHFFFAOYSA-N 253.704 3.611 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 181121301 SFXZTBFVSLZWGT-QMMMGPOBSA-N 294.305 3.587 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OC(C)C)cc1 181586774 YYPDMSXPJDDHBK-UHFFFAOYSA-N 262.353 3.514 30 20 CHED C=CCCC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 182169770 BLFSAINEJQCAEQ-LLVKDONJSA-N 285.309 3.719 30 20 CHED C=C(C)COc1c(F)cc(Br)cc1C(C)=O 182351538 FKVYIKBCONKEAV-UHFFFAOYSA-N 287.128 3.746 30 20 CHED C=C(C)[C@H](NC(=O)C1[C@H]2CCC[C@@H]12)c1ccc(F)c(F)c1 184838241 DSDOLQBDIITTSB-VTGZOESTSA-N 291.341 3.744 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)c(OCC(F)F)c1 185420437 YPLJOPVRFOGLJV-UHFFFAOYSA-N 295.329 3.771 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2ccc(Cl)cc2)C1 185755176 PIWKEZQAZQQDGD-UKRRQHHQSA-N 262.784 3.554 30 20 CHED C[C@@H](CCN[C@H]1CCC[C@H](C#N)C1)N(C)Cc1ccccc1 185852089 GDZNIBWUCBHKQW-WDSOQIARSA-N 299.462 3.569 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC2(Cc3ccccc3)CC2)C1 185867279 CDCDFYMNGVZXRS-IAGOWNOFSA-N 268.404 3.681 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](C)c2ccccc21 188241230 OIAKQWMKHGEZHY-RDTXWAMCSA-N 287.403 3.756 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)C[C@H]1C=CCCC1 188604012 BMPFYPYZWAFXNL-PKOBYXMFSA-N 296.414 3.764 30 20 CHED C=CCC1(C(=O)N(CC)Cc2cccs2)CCC1 190702703 DDPYYQXGNRRLSF-UHFFFAOYSA-N 263.406 3.843 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC(C)(C)CC(C)=O 191732845 ZHMOMQPOZFMEKG-UHFFFAOYSA-N 287.403 3.597 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 192146531 BZJVBZRAYRMNDB-GFCCVEGCSA-N 254.308 3.548 30 20 CHED N#Cc1c(CNc2ccccc2F)cn2ccccc12 193399216 QQJRHLGFNOGBMA-UHFFFAOYSA-N 265.291 3.562 30 20 CHED N#CCCCCN[C@H]1CCc2ccc(Br)cc21 193981193 BEYVVYHUQTXJGI-AWEZNQCLSA-N 293.208 3.720 30 20 CHED N#Cc1ccc(/C=C/c2ccc(Cl)c(F)c2)nc1 194858375 IFDDNIVYUZMEPF-DAFODLJHSA-N 258.683 3.916 30 20 CHED N#Cc1cccc(C(=O)Nc2cccc(C(F)F)c2)c1 195427407 PMEFAFUWOIVQBZ-UHFFFAOYSA-N 272.254 3.748 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2cnn(C(C)C)c2)c1 208117897 NQZOZCDXUADAJV-WAYWQWQTSA-N 268.360 3.977 30 20 CHED CC[C@H]1CCN(c2ccc(C#N)c(Br)c2)C1 228194866 PCQBJYGBODEYMF-JTQLQIEISA-N 279.181 3.557 30 20 CHED CC1CC(Nc2ccc(C#N)c(Br)c2)C1 228195297 XVFVVWIJUMCQOK-UHFFFAOYSA-N 265.154 3.531 30 20 CHED C=CC[C@H](C)N[C@H](C)Cc1ccc(Br)cc1 235075478 IMJHVYFEDGTPIH-NWDGAFQWSA-N 282.225 3.934 30 20 CHED Cc1ccc(C)c(S(=O)(=O)CCCCC(C)(C)C#N)c1 235768108 NGWLRKCYUYBELX-UHFFFAOYSA-N 293.432 3.797 30 20 CHED C[C@@H]1C[C@@H](C)CN(CCCN[C@H](C)c2cccc(C#N)c2)C1 245825291 ATYAPLZDLTXCLL-BRWVUGGUSA-N 299.462 3.577 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 247555843 TYSLTHMHTOXWGM-DRZSPHRISA-N 263.768 3.524 30 20 CHED COc1cccc(/C=N\CCSc2ccccc2)c1O 255123242 TVNMQZQHAMHAEO-ATVHPVEESA-N 287.384 3.612 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1 255233510 MWPJTZVUAXKMSH-HJWRWDBZSA-N 296.395 3.972 30 20 CHED Fc1ccc(C=NOCc2cc(F)ccc2F)cc1 255418119 FSRDIOSTNDDPGW-UHFFFAOYSA-N 265.234 3.655 30 20 CHED O=C(/C=C\c1cc(F)c(F)cc1F)c1ccc(O)c(F)c1 255425837 POPYEIVDCSDNPE-IWQZZHSRSA-N 296.219 3.845 30 20 CHED CC(C)c1nc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cs1 263675495 NFJIRPRXAOHFNO-NSHDSACASA-N 299.399 3.629 30 20 CHED N#CCc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1 265007324 BZYQCPVGMMXIAF-UHFFFAOYSA-N 290.366 3.813 30 20 CHED Cc1nccn1CCS[C@@H](C)c1ccc(C#N)cc1 271002193 HJYRAONCIBJEKK-LBPRGKRZSA-N 271.389 3.558 30 20 CHED C#CC[C@@H](N[C@H](C)c1csc(C)n1)c1ccccc1 271526425 PBCROTZOKYXSFD-IUODEOHRSA-N 270.401 3.867 30 20 CHED CC(C)(C#N)CCNC(C)(C)c1ccc(F)c(F)c1 272033868 PNUMMWGVLRXWQU-UHFFFAOYSA-N 266.335 3.729 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C#N)cc1Cl 272548768 LXAHTGLPHOSMFO-NXEZZACHSA-N 264.756 3.832 30 20 CHED CCC(CC)n1ccc(CSCCCC#N)n1 276618195 NDPFOMDOPLXIOV-UHFFFAOYSA-N 251.399 3.781 30 20 CHED C#CCCCC(=O)Nc1cc(Cl)c(Cl)cc1OC 277497428 PBDQXGAWJJPKRQ-UHFFFAOYSA-N 286.158 3.744 30 20 CHED CC(C)(C)c1cnc(/C=C/C(=O)c2cscn2)s1 280633238 MAQXKVDWYQAGMU-SNAWJCMRSA-N 278.402 3.793 30 20 CHED Cc1cc[nH]c1C(=O)Nc1ccccc1S[C@@H](C)CC#N 280633933 MKEFCUDHWDQHQR-LBPRGKRZSA-N 299.399 3.970 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(CC(C)C)c1C(F)F 280987251 BWMWULWNAYKORZ-NSHDSACASA-N 299.365 3.561 30 20 CHED COc1cc(CN(Cc2ccco2)C(C)C)ccc1C#N 282455690 VHBHWEGBGMDHFV-UHFFFAOYSA-N 284.359 3.570 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 288893237 PLXONZMCTMHPKV-AWEZNQCLSA-N 296.798 3.540 30 20 CHED C=CCC[C@@H](CCC)N[C@H](C)c1noc(COC(C)C)n1 291028300 YGQWBGKZCORJHM-ZIAGYGMSSA-N 295.427 3.780 30 20 CHED C[C@H](SC[C@@H]1CCC[C@H](O)C1)c1cccc(C#N)c1 292108804 PZGSTODFFQOUQH-BJJXKVORSA-N 275.417 3.904 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 292672995 FYDAJWHMOUQMRU-TZMCWYRMSA-N 293.432 3.639 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC=C(c2ccco2)C1 292749851 JRFCQVCUQLPGEA-UHFFFAOYSA-N 288.391 3.681 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCCOc2c(F)cccc21 293537157 RSKJITGCOAMVTM-CQSZACIVSA-N 291.366 3.758 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccccc1OC(F)F 294133542 GNWSXLZWDGIFJR-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C=CCCc1noc([C@@H]2C[C@H]2c2ccc(F)cc2)n1 297482191 ZIQMNSOVIGKVSE-QWHCGFSZSA-N 258.296 3.598 30 20 CHED N#Cc1ccc(Nc2cccc(Oc3ccccn3)c2)nc1 301449296 PHIBBPJGTJOMKG-UHFFFAOYSA-N 288.310 3.884 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2cccc(Cl)c2)cn1 301497677 CZIURARAKCKYQZ-MRXNPFEDSA-N 283.762 3.948 30 20 CHED CCc1nnc(N[C@H](C)c2cc(C)oc2C)c(C#N)c1CC 301625167 PRKIQZMTOACQEG-LLVKDONJSA-N 298.390 3.856 30 20 CHED Cc1ccccc1OCCCNc1c(C#N)cccc1C#N 302876559 GDFXOWHCLVADBT-UHFFFAOYSA-N 291.354 3.619 30 20 CHED COC1(CCNc2ccc(C#N)c(Cl)c2)CCC1 310853773 MPOSOIACRJGSEW-UHFFFAOYSA-N 264.756 3.583 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(-n2ccnc2)cc1 312808645 RJBQRVGIJQKGGJ-HNNXBMFYSA-N 269.392 3.879 30 20 CHED OC1=N[C@@H](/C(O)=N/Cc2csc3ccccc23)CCC1 328785484 IRJRGLYAARFVFM-GFCCVEGCSA-N 288.372 3.867 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cccc(-c3cc[nH]n3)c2)CCC1=O 328905353 ASJNVYLTOHDORI-AAEUAGOBSA-N 297.358 3.670 30 20 CHED CCCN(CC1CCCCC1)/C(O)=N/Cc1ncoc1C 329358761 GHFZBMZRGKGDLT-UHFFFAOYSA-N 293.411 3.689 30 20 CHED N=C(O)C1(C/N=C(/O)[C@H]2CC23CCCC3)CCCC1 329970738 VCMVIMWVMRWOHG-LLVKDONJSA-N 264.369 3.619 30 20 CHED CC[C@H](N/C(O)=N/[C@@H]1CCO[C@@H](C)C1)c1ccc(C)cc1 330604690 LSAVFAIDIOQWAE-IMJJTQAJSA-N 290.407 3.517 30 20 CHED CCc1nc(C)c(/C(O)=N/Cc2sc(C)nc2C)s1 330890376 HEVIQXQYBIMRJS-UHFFFAOYSA-N 295.433 3.592 30 20 CHED CC[C@H](C)/N=C(/O)Nc1ccnn1[C@H](C)CC(C)C 330893521 YUGRHYMXSLKELZ-NWDGAFQWSA-N 266.389 3.615 30 20 CHED CO[C@@H](C/N=C(/O)c1csc(C(C)(C)C)n1)C(C)(C)C 330941962 ZCARHWDLBZQPKJ-NSHDSACASA-N 298.452 3.806 30 20 CHED CCC(=O)Nc1cccc(/C(O)=N/[C@@]2(C)CC=CCC2)c1 331355679 QYURSMYWQQFMAX-KRWDZBQOSA-N 286.375 3.839 30 20 CHED N#C[C@H](NC(=O)c1ccoc1Cl)c1ccc(Cl)cc1 334764261 SIOQJBSONVBEIQ-NSHDSACASA-N 295.125 3.581 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CCC[C@H](F)C1 335128440 CJLIPJKTXQBSEB-AAEUAGOBSA-N 294.757 3.873 30 20 CHED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 335674019 OOFHOTBIZONOKK-FZKQIMNGSA-N 262.356 3.896 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)c1ccccc1 337109709 VAOQKPHNJOZNIK-HDEZJCGLSA-N 287.403 3.624 30 20 CHED C=CCOCCCN[C@@H](C)c1ccccc1SC 337359916 HIGHWUPYZJQLRQ-ZDUSSCGKSA-N 265.422 3.652 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1nccc2sccc12 337804304 JFSPOXGVAZWDPV-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C1CCN(C(=O)Nc2cccc(Br)c2)CC1 337956212 RLBLCEQLLCVMMD-UHFFFAOYSA-N 295.180 3.633 30 20 CHED Cc1cc(NC[C@@]2(C)C[C@H]2c2ccccc2)cc(C#N)n1 338741839 OMFYHFVZDYVITM-ZWKOTPCHSA-N 277.371 3.867 30 20 CHED N#CCC[C@@H](C#N)COc1ccccc1Oc1ccccn1 339317110 STOJDAVEUWTMQH-AWEZNQCLSA-N 293.326 3.696 30 20 CHED C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(CC#N)cc1 340039053 HFEZLCHFDAITAJ-CYBMUJFWSA-N 296.345 3.725 30 20 CHED C[C@@H](c1ccccc1)N(C)c1nccc(C#N)c1Cl 341382531 QCOLIRRBMJMWSE-NSHDSACASA-N 271.751 3.804 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 341557452 ZZZMJPYXYOPNMA-HNNXBMFYSA-N 288.366 3.738 30 20 CHED C=CCC[C@@H](NCCn1nc(C)cc1C)c1ccccc1 341948511 UJIQSUGFZNCSCB-GOSISDBHSA-N 283.419 3.797 30 20 CHED CC(C)N(Cc1ccco1)C(=O)CCc1ccc(C#N)cc1 343026034 SFNZHKOFXHSGBY-UHFFFAOYSA-N 296.370 3.521 30 20 CHED CC(C)[C@@H](CNCC(C)(C)CCC#N)N1CCCCCC1 343283471 KCVPBBMGCZJLHI-QGZVFWFLSA-N 293.499 3.807 30 20 CHED C=CCCN(C)Cc1c[nH]nc1-c1cccc(Cl)c1 343458341 CJSANMGOLKCRTN-UHFFFAOYSA-N 275.783 3.738 30 20 CHED C=C(CNCc1ccccc1OCCOC)c1ccccc1 343776609 JEARWPSQECALLE-UHFFFAOYSA-N 297.398 3.515 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(N(C)CC(C)C)cc1 345246058 GHUPEBDNQCXJGT-UHFFFAOYSA-N 286.419 3.593 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C[C@H](C)c1c[nH]c2ccccc12 345787740 FOMFFWNJMBXXIF-KBPBESRZSA-N 297.402 3.670 30 20 CHED C=CCN1CC[C@@H](S[C@H](CC)c2ccccc2)C1=O 347775987 KTCSVJAVXPBUAY-HUUCEWRRSA-N 275.417 3.658 30 20 CHED CSc1ccccc1NC(=O)NCC(C)(C)CCC#N 348080550 KGCHKLKQZUQXOM-UHFFFAOYSA-N 291.420 3.860 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H](c2cccc(F)c2)c2ccccn2)C1 349426627 WGPIIMVNXWMREX-SKDZVZGDSA-N 295.361 3.592 30 20 CHED C=CCC(C)(C)CNC(=O)CCC(=O)c1ccc(C)s1 352472132 YIMQZUGNXHKLOX-UHFFFAOYSA-N 293.432 3.738 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc([C@@H](C)CC)nc1 352484657 RWNRTBQZDBOTAE-NSHDSACASA-N 261.369 3.531 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCC(C)(C)CCC#N 354028507 ODSBNNCIRRXEHX-KGLIPLIRSA-N 293.455 3.830 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccc(C)s2)CC1 355615036 ZSRVTWZZLPDLKB-UHFFFAOYSA-N 263.406 3.761 30 20 CHED Cc1nc(-c2nc([C@@H](C)c3cccs3)no2)ccc1C#N 357007549 YQYKOHHWYBOHQG-VIFPVBQESA-N 296.355 3.525 30 20 CHED C=C[C@@H](C)NC(=O)c1c(-c2cccc(Cl)c2)noc1C 358903892 NBFQHDIABKGFBC-SECBINFHSA-N 290.750 3.608 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H](CC3CC3)C2)cc1 359674383 ICLOOQHATIMAGU-HNNXBMFYSA-N 296.414 3.750 30 20 CHED N#CCCCC(=O)N1CC=C(c2cccc3ccccc23)C1 360781840 NZKOROUTIYEVEW-UHFFFAOYSA-N 290.366 3.759 30 20 CHED CCN(CCN[C@@H]1CCCCc2cc(C#N)ccc21)C(C)C 360842290 VUOZBADRAORWCM-LJQANCHMSA-N 299.462 3.646 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccccc3)C2)C1 367183098 BLVILGABFVUREI-LLLHUVSDSA-N 254.377 3.605 30 20 CHED N#CC[C@@H](CC(=O)N1CC2(CCCCC2)C1)c1ccccc1 369090556 FPDRVIYDWKZEHZ-KRWDZBQOSA-N 296.414 3.867 30 20 CHED N#CCC[C@H](NC(=O)N1[C@H]2C=CC[C@H]1CC2)c1ccccc1 370925855 ZWRNFNZVGWTGFM-ULQDDVLXSA-N 295.386 3.534 30 20 CHED C#CCCCC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 375418822 ZOGCLMJCTKBWQH-HNNXBMFYSA-N 287.378 3.725 30 20 CHED CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 397576751 DPRIRTGZVLZGBW-BQFCYCMXSA-N 298.430 3.969 30 20 CHED C=CC[C@@H](CC)NC(=O)Cn1ccc2ccc(Cl)cc21 410127419 MUPMPHWPIXHBCQ-CQSZACIVSA-N 290.794 3.766 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc2oc(C(F)(F)F)nc12 410584796 TTWOOQHHIMEFAL-UHFFFAOYSA-N 298.264 3.997 30 20 CHED CC(C)(C)C(C)(C)C(=O)N[C@H](C#N)c1ccccc1F 410646327 ZCGRWROGRANOKI-CYBMUJFWSA-N 276.355 3.579 30 20 CHED CC(C)CCN(CCC#N)C(=O)Cc1cccc(C2CC2)c1 412180678 WMNQWWXJMJKKJA-UHFFFAOYSA-N 298.430 3.895 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](CC)CC(F)(F)F 412655336 KXVSHSJKWPUNKN-ZYHUDNBSSA-N 265.319 3.684 30 20 CHED CC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 413376691 OBXRTDYJKJFNJV-BBWFWOEESA-N 296.414 3.699 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@@H](CC)CC(F)(F)F 413578879 ODRAFZVOFWCYLQ-NSHDSACASA-N 294.361 3.867 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCCOc2ccc(F)cc21 414167362 PBVJWURTDCEZKK-CQSZACIVSA-N 276.355 3.569 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(-c2ccccc2Cl)on1 419195126 UOZKVORNRDHDKH-NSHDSACASA-N 289.766 3.586 30 20 CHED Cc1cc(C)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1C 424328503 ODZOJVHXYPTIOM-OWCLPIDISA-N 256.393 3.955 30 20 CHED CCN(C(=O)[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 425518450 SBHPVJIALNWMQC-CJNGLKHVSA-N 270.376 3.737 30 20 CHED CC(C)(C#N)CCCN1CC2(CCC2)[C@H]1C1CCOCC1 425543088 AVZVDMPRAZMRNZ-MRXNPFEDSA-N 290.451 3.597 30 20 CHED N#Cc1ccc(NC(=O)N2CCc3ccccc32)c(Cl)c1 426133532 LCHYBFDPUGVSAH-UHFFFAOYSA-N 297.745 3.806 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cccc(OC(F)F)c1 430724826 OZCSIZBKSHZAQT-LLVKDONJSA-N 280.318 3.632 30 20 CHED N#Cc1cccc(Cl)c1NCc1ccc2c(c1)COC2 432044477 CZINXXHAZLSJPN-UHFFFAOYSA-N 284.746 3.854 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1C1CC1 433872700 ACJCFXIPEMUXQS-ZWKOTPCHSA-N 296.414 3.589 30 20 CHED C[C@@H](N(C)CC#Cc1cccc(Cl)c1)C1(C)CC1 438569441 SGEVUUZGXVFBRF-CYBMUJFWSA-N 261.796 3.812 30 20 CHED C=CCC[C@H](NCc1cccc(N(C)C)c1)C1CC1 438985681 OIWYLJNQLHYPPQ-KRWDZBQOSA-N 258.409 3.587 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1c(OC)ccc2c1CCC2 439401954 FOGVLQYEJWRDSK-CYBMUJFWSA-N 288.391 3.660 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F 446290956 FANNPIICBDDOCE-WDEREUQCSA-N 280.334 3.571 30 20 CHED CC[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1 447598972 JCEPZDFPSICTRX-HZPDHXFCSA-N 286.419 3.945 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(C)Cc1ccc(C(C)C)cc1 448575536 UYLRVKVNTJFAOR-UHFFFAOYSA-N 295.386 3.590 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 448723497 IBBXJSSAAQSDMM-DJIMGWMZSA-N 284.403 3.578 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCC3(CCCCC3)O2)CC1 449280318 XDRLOEIWVANSJH-AQFXKWCLSA-N 290.451 3.930 30 20 CHED C=CCCCC[C@H](C)NC[C@@H]1CCO[C@H]1C(=C)C 449299083 KORDTIQZGNDVFM-JYJNAYRXSA-N 251.414 3.692 30 20 CHED C=CCN(CCC#N)Cc1cc(Cl)sc1Cl 449339820 ZGSKFGLBTKOALA-UHFFFAOYSA-N 275.204 3.957 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccccc2F)o1 449516765 BZBYHRHWAJBANG-CVEARBPZSA-N 287.334 3.519 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@@H]1CCc2ccccc21 452294860 IHNRUCMKLOLNQM-HNNXBMFYSA-N 271.404 3.825 30 20 CHED C=C(C)CCNC(=O)c1cnn(-c2ccccc2)c1CCC 452714912 AJNXVUVYRYLXRT-UHFFFAOYSA-N 297.402 3.521 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCCc2cc(C#N)ccc21 453342596 INZGMKPVEPYMAG-OTWHNJEPSA-N 296.414 3.649 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc(OC)c2ccccc12 453377508 XTIBPLWEAUAKKR-GJZGRUSLSA-N 299.414 3.826 30 20 CHED CC#CCCCC(=O)Nc1nc2c(s1)CCCC2(C)C 461218996 JKTARANHAYKQNA-UHFFFAOYSA-N 290.432 3.889 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](Oc1ccc(Cl)cc1)C(C)C 462126325 NPPJHWTWDOHNHG-IUODEOHRSA-N 295.810 3.824 30 20 CHED C[C@@H](CNc1ncc(C#N)cc1Cl)Cc1cccs1 462894460 HWTGZSUESJEEQL-SNVBAGLBSA-N 291.807 3.959 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1Nc1ccccc1 465145255 NBSZYKCBWFADPQ-ZDUSSCGKSA-N 266.344 3.735 30 20 CHED C=CCC[C@H](CC)NC[C@H](CO)CC1CCCC1 467451171 ZGMSQJPVQKQWGX-CVEARBPZSA-N 253.430 3.510 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1c(F)cccc1Cl 467765907 BPWOCWDUXYMIMC-CQSZACIVSA-N 269.747 3.698 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CSc2ccccc21 468005463 PTVFNVJKXMMZKS-IUODEOHRSA-N 261.390 3.552 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(Cl)c(F)c1 470288266 JHLDIZWHTOZGET-IWQZZHSRSA-N 258.683 3.916 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1 472778480 YNLBFIRHNMWICT-JTQLQIEISA-N 291.782 3.864 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)N1CCC[C@H](CC)C1 473537797 CSRWOBZXVBQNIE-YJBOKZPZSA-N 294.483 3.606 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC12CCCC2 474371819 OOHOIYIONWZCND-OAHLLOKOSA-N 287.378 3.921 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@H](C(C)C)C2)CC1 474713109 WQNKNPRNLVUFKD-WMZOPIPTSA-N 278.484 3.831 30 20 CHED C=CCOc1cccc(CN2CCC[C@@](C)(OC)CC2)c1 475554747 JOLYPCHYMOOTQQ-GOSISDBHSA-N 289.419 3.642 30 20 CHED C=CC[C@H](C(=O)N1CC(C2CCCC2)C1)c1ccccc1 477903049 FQNKZTOPFXMSTJ-SFHVURJKSA-N 283.415 3.995 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](CC(C)C)c1ccccc1 479238696 FAZBULUNPBHTKB-INIZCTEOSA-N 259.393 3.851 30 20 CHED N#CCc1ccc(COc2ccc([C@H]3CCOC3)cc2)cc1 479408015 GQLXBCQJCRNRCU-SFHVURJKSA-N 293.366 3.836 30 20 CHED CCN(CCc1cccs1)c1ccc(C#N)cc1 479476518 CLIPEEJGQOTGKU-UHFFFAOYSA-N 256.374 3.689 30 20 CHED Cc1nc(N2CCC[C@H](C(C)(C)C)C2)ccc1C#N 487721179 OVNWKVXIALKZMV-AWEZNQCLSA-N 257.381 3.524 30 20 CHED C=CCn1cccc1C(=O)NCC1(c2ccccc2)CCC1 488573935 BRBCUPRXEQXHKN-UHFFFAOYSA-N 294.398 3.526 30 20 CHED C=CCn1cccc1C(=O)N(C)C[C@@H](C)c1ccccc1 488888303 XVJFOFGTAKOIDF-OAHLLOKOSA-N 282.387 3.550 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccn(Cc2ccccc2)c1 489933557 JZQPIMIDGLRGHG-UHFFFAOYSA-N 296.414 3.869 30 20 CHED C=CCC(C)(C)CNC(=O)CSc1ccc(C)cc1 489986598 GETTWQMRZWAKMZ-UHFFFAOYSA-N 277.433 3.806 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ccc(Cl)cc1 489987560 JIGFGGSGLBJGNM-UHFFFAOYSA-N 279.811 3.991 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(C2CCC2)cc1 494801597 SAQFQNPGPRIAPX-CYBMUJFWSA-N 272.392 3.718 30 20 CHED C[C@H](C#N)CN(C)C[C@H](C)c1ccc(C(F)(F)F)cc1 501166404 XUJIGFZRLJNKBK-NEPJUHHUSA-N 284.325 3.900 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](C)CC(C)C)c1 506625232 NTDWPTUNOSZBKI-CYBMUJFWSA-N 276.380 3.808 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C#N)c1C 510497308 UWISULWBPNBPSV-CZUORRHYSA-N 270.376 3.565 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H](C)CC1CCCC1 511132354 WDMUBALXPRVHRH-HNNXBMFYSA-N 278.440 3.991 30 20 CHED CC[C@@H](C)[C@H](NC(=O)c1cccc(C#N)c1C)C(F)(F)F 511333114 LPDKWWFIHIJMOG-RNCFNFMXSA-N 298.308 3.574 30 20 CHED C=C[C@@H](C)NC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 511512815 MHZOMNPZPGTDFL-MXASKKJJSA-N 284.403 3.681 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(CC#N)cc1 516846356 VZBDJOGPCREUJI-DZGCQCFKSA-N 270.376 3.908 30 20 CHED Cc1ccccc1[C@H](Nc1nnc(C)c(C)c1C#N)C1CC1 522121962 CKWTWXDMBJAQAF-QGZVFWFLSA-N 292.386 3.837 30 20 CHED CC(C)[C@H](C)N(C)c1ccc2cc(C#N)ccc2n1 527201960 GBFSZIGWHLMNRG-LBPRGKRZSA-N 253.349 3.587 30 20 CHED C[C@@H](CN1CCC(CC#N)CC1)c1ccc(F)cc1 527354971 XBKAFFQUJASMMN-ZDUSSCGKSA-N 260.356 3.555 30 20 CHED CCN(CCC#N)C(=O)Nc1cccc(Cl)c1Cl 531419839 HURJZYDQXLOUSN-UHFFFAOYSA-N 286.162 3.761 30 20 CHED C=C(C)COc1cccc(NC(=O)C2(C#N)CC(C)C2)c1 531563741 MQCCWIHSMSGNGG-UHFFFAOYSA-N 284.359 3.520 30 20 CHED Cc1c(C)c(C)c(CNC(=O)C2(C#N)CC(C)C2)c(C)c1C 532945122 QYJDNGBECWOQQL-UHFFFAOYSA-N 298.430 3.785 30 20 CHED C=CCN(C(=O)COc1ccccc1[C@@H](C)CC)C1CC1 537931587 YYUQUCBVVSKAKE-AWEZNQCLSA-N 287.403 3.756 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCc2cc(C)ccc21 539703968 ZOVOONJTWBGQHP-GDBMZVCRSA-N 272.392 3.636 30 20 CHED CN(Cc1cccs1)C(=O)c1ccc(Cl)c(C#N)c1 542512813 ISOGFUWKXCRICH-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCC[C@H](SCC)C1 544055243 IFASYGJRUDWMTQ-IHRRRGAJSA-N 284.469 3.705 30 20 CHED CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 545460585 RFJNZECRLNJGRE-GWCFXTLKSA-N 270.298 3.940 30 20 CHED C[C@@H](c1noc(C2(C#N)CCCCC2)n1)C(C)(C)C 545727651 RCTYHYGEZGYETN-NSHDSACASA-N 261.369 3.945 30 20 CHED CC(C)c1ccc(CCN(CCC#N)C(C)C)cc1 546660911 UQEKLIMLTQTZEZ-UHFFFAOYSA-N 258.409 3.977 30 20 CHED N#CCc1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)cc1 546993088 XWBKBFBBXUVSFN-UHFFFAOYSA-N 297.264 3.748 30 20 CHED C[C@@]1(CNC(=O)c2ccc(C#N)s2)C[C@H]1c1ccccc1 557733787 SNEFFYKQJVGMHE-YOEHRIQHSA-N 296.395 3.543 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)NCc1ccc(C#N)s1 567102042 FOYBFUIMDORPFX-CQSZACIVSA-N 298.411 3.505 30 20 CHED COc1ccccc1N(Cc1ccc(C#N)cc1)C(C)C 570205524 HKZGHXRVAWPTFU-UHFFFAOYSA-N 280.371 3.982 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2(C)CCCCC2)cc1 573642563 NUUXLJASAALTOQ-MRXNPFEDSA-N 284.403 3.900 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)c1ccccc1 578162035 GZPHPTNKGKCYRG-KBXCAEBGSA-N 284.403 3.769 30 20 CHED CC(C)(C)c1csc2ncnc(NCC3(C#N)CC3)c12 578826844 HLWPETJJWATILE-UHFFFAOYSA-N 286.404 3.704 30 20 CHED COc1cccc(Cl)c1COc1ccc(C#N)cc1F 580585374 LWPWBUNDYBQJMJ-UHFFFAOYSA-N 291.709 3.938 30 20 CHED N#Cc1ccc(Cl)cc1N1CC[C@@H](c2cccnc2)C1 582417459 BQPRCEPYOOLCQJ-CQSZACIVSA-N 283.762 3.601 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 588164685 BHIPDUUYXYFEPH-ZWKOTPCHSA-N 298.430 3.988 30 20 CHED Cn1nccc1C(=O)/C=C\c1c(Cl)cccc1Cl 588595058 MWSMFYOYJVIHNV-WAYWQWQTSA-N 281.142 3.623 30 20 CHED N#CCCCCCC(=O)Nc1cncc(Cl)c1Cl 588955716 KIAJKVATUIXVSD-UHFFFAOYSA-N 286.162 3.801 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nc4ccccc4o3)C2)C1 590166066 OGDGFOJPIXYLEO-ILXRZTDVSA-N 295.386 3.699 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 590748957 RKWWZUKCJGNCAI-ZTFGCOKTSA-N 296.414 3.878 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)C1CCCC1 590949873 GUTUNIGSNOMEBO-NVXWUHKLSA-N 291.439 3.681 30 20 CHED N#C[C@H](C(=O)c1ccccc1)c1nc2cc(F)ccc2s1 592974559 UFGCKTVWDDYVHD-GFCCVEGCSA-N 296.326 3.925 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CC1CCCCC1 594221369 BJXWOMNWHPXABG-HNNXBMFYSA-N 298.430 3.776 30 20 CHED C=CCCSCCN[C@@H](c1cccnc1)C1CCC1 595060533 UZDPICSKLMGQTH-MRXNPFEDSA-N 276.449 3.822 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2C)C1 596705989 AAJYMFZSZBAWLL-AWEZNQCLSA-N 283.375 3.687 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccsc2Cl)C1 597259139 XQERARQQICEPSA-ZANVPECISA-N 282.796 3.604 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 597287384 SZBQTOXCKMMPEM-GJZGRUSLSA-N 276.424 3.936 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1ccsc1)C(C)(C)C 598852250 FTCDNGXUECIDBQ-UHFFFAOYSA-N 278.421 3.815 30 20 CHED CCSc1ccccc1-c1noc(CCCC#N)n1 599181831 XAWLTKCELOAKFJ-UHFFFAOYSA-N 273.361 3.695 30 20 CHED C=C(C)CN1C[C@@H](c2ccccc2Cl)OC[C@H]1C 600728845 YSAOCRAMAPSTMO-DOMZBBRYSA-N 265.784 3.678 30 20 CHED Cc1nc2c(s1)[C@@H](N(C)C[C@H](C)CCC#N)CCC2 602476832 WURUKXPGLMOWBY-RISCZKNCSA-N 277.437 3.701 30 20 CHED Cc1ccc(C)c(N[C@H](C)CC2(C#N)CCOCC2)c1 602489752 OTGBFJPHLOPSST-OAHLLOKOSA-N 272.392 3.814 30 20 CHED COc1ccc([C@@H](NC[C@H](C)CCC#N)C(C)C)cc1 602510222 FKAUZUUKTCRMRF-PBHICJAKSA-N 274.408 3.922 30 20 CHED C[C@H](CCC#N)CNCCc1cc2ccccc2s1 602676151 SMMAIEPBBIEQCN-CYBMUJFWSA-N 272.417 3.973 30 20 CHED N#Cc1ccc(N2CCc3c(Cl)cccc3C2)c(F)c1 610076439 BOGSIWNPOUKIPQ-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C#N)C2CCCCC2)C1(C)C 610502077 WAYBIBJXOISNIX-BZUAXINKSA-N 288.435 3.813 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2)o1 610502394 OIDIGGRQCZLGOE-CYBMUJFWSA-N 298.342 3.740 30 20 CHED C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)c1ccco1 610976348 SMOBLXGYKYUPKA-UKRRQHHQSA-N 282.343 3.544 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(CCC(F)(F)F)cc1 611029864 NOWGPKKPLVELSV-CYBMUJFWSA-N 298.308 3.604 30 20 CHED Cc1nc([C@H](C)NC2(c3cccc(C#N)c3)CC2)c(C)s1 611442791 ZEPRZPNEWGVSDW-NSHDSACASA-N 297.427 3.972 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)c(Cl)c1C 611967475 ZXORQEVYZZKUPO-GFCCVEGCSA-N 278.783 3.625 30 20 CHED C[C@H](CC(=O)N1CCC[C@@](C)(C#N)C1)CC(C)(C)C 612367026 KSNMGFAHPPVPED-CJNGLKHVSA-N 264.413 3.601 30 20 CHED Cc1cc(Cl)cc(C)c1CNCC(C)(C)C#N 612584850 DLZFDLXSWDKIDA-UHFFFAOYSA-N 250.773 3.596 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2)C1 617787897 ZXNWRIBDMPKWPE-AWEZNQCLSA-N 295.386 3.505 30 20 CHED C=C(CNCc1c(F)cccc1F)c1ccccc1 620757883 XEDJUGJHRXIODV-UHFFFAOYSA-N 259.299 3.768 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OCCC(C)C)cc1F 654321726 IXQOVVPUPYHBNI-UHFFFAOYSA-N 294.370 3.900 30 20 CHED C=CCC1(NC(=O)NCc2csc(C)n2)CCCCC1 654969614 VPKLWYSRVSSWSQ-UHFFFAOYSA-N 293.436 3.530 30 20 CHED C=CCCn1cc(CN[C@H]2CCC[C@@H](C(C)C)CC2)nn1 657438723 VHBAGWSQBYNELK-CVEARBPZSA-N 290.455 3.549 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncc(-c2ccccc2)[nH]1 673053000 VVMKSGMDZBJPHB-UHFFFAOYSA-N 281.359 3.784 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 674952765 VVENMEZTRLYVEL-GFCCVEGCSA-N 285.318 3.922 30 20 CHED N#Cc1cc(F)c(N[C@@H]2CC23CCC3)cc1Br 721259387 CPGHAKUTTSVJDD-GFCCVEGCSA-N 295.155 3.814 30 20 CHED Cc1cc(C=NNc2ccc(OC(F)F)cc2)c(C)[nH]1 726426846 JPWWODVSAINNLT-UHFFFAOYSA-N 279.290 3.679 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](N2CCCCC2)C1 730792941 CUNLDHZIRAHVII-QGZVFWFLSA-N 294.483 3.824 30 20 CHED Cc1ccccc1[C@@H](O)C/N=C\c1cc(Cl)ccc1O 732714211 UETCRYOUCAGMPE-RSFAQHHSSA-N 289.762 3.507 30 20 CHED C#Cc1cccc(NC(=S)NN=C(CC)CCCC)c1 732925351 XXMFXYKWQIXZMG-UHFFFAOYSA-N 287.432 3.911 30 20 CHED CCCCCCCOC(=O)c1ccn(C(C)C)n1 733584741 XNWALJLGPYALRV-UHFFFAOYSA-N 252.358 3.591 30 20 CHED COc1cccc(/C=N/CC(C)(C)c2cccs2)c1O 733903638 NLOWOFNRDNGEMZ-LICLKQGHSA-N 289.400 3.859 30 20 CHED C[C@@](C#N)(NC(=O)C=C1CCCCC1)C1CCCCC1 734239426 CRJIZECIFPLVSL-KRWDZBQOSA-N 274.408 3.856 30 20 CHED Cc1ccc(F)c(/C=C2\Oc3ccc(F)cc3C2=O)c1 734979584 AYIHWEICXOETJQ-CHHVJCJISA-N 272.250 3.889 30 20 CHED C[C@H]1CCC[C@@H](C)N(CCCOc2ccc(C#N)cc2)C1 741793379 JOMXLBNNKWBDAE-JKSUJKDBSA-N 286.419 3.838 30 20 CHED Cc1cc(C)cc(NN=C2[C@H]3CCCO[C@H]3C2(C)C)c1 743429915 BTMAQNZGVHCICQ-GDBMZVCRSA-N 272.392 3.906 30 20 CHED C#CCCCNC(=O)N(CCC)[C@@H](CC)c1ccccc1 743692146 SUOVTURIUSHDDR-KRWDZBQOSA-N 286.419 3.973 30 20 CHED CCCCCCC(=O)N[C@H](C)c1cccc(C#N)c1 743778136 GEPXPRKRAOVRFI-CYBMUJFWSA-N 258.365 3.706 30 20 CHED CC[C@H](CC1CCCC1)C(=O)OCC1(CC#N)CC1 744277448 LQXMPFWCNRXHEV-CQSZACIVSA-N 263.381 3.830 30 20 CHED C=C(C)CCOC(=O)Cc1ccc(C(F)(F)F)cc1 744299994 NZHBCPLTYJJYJD-UHFFFAOYSA-N 272.266 3.757 30 20 CHED COc1ccc(C)cc1C=NNc1ccc(F)cc1 744563515 SNBWLRLXAGTWQG-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CCCCC1 744810449 PPDAQQHFAVFGKU-BFYDXBDKSA-N 290.451 3.789 30 20 CHED CCCCCCCCC/C=C\C(=O)NC1CCN(C)CC1 746582218 PPEKANVYJJSENN-QXMHVHEDSA-N 294.483 3.894 30 20 CHED Fc1cc(NN=Cc2ccsc2)ccc1Cl 747636284 YCHNXZVUIMJKDW-UHFFFAOYSA-N 254.717 3.987 30 20 CHED Cc1n[nH]cc1C=NNCc1ccc(-c2ccccc2)cc1 748085866 ONCWWOPQKHJNNC-UHFFFAOYSA-N 290.370 3.509 30 20 CHED CC(C)CN(CCC#N)C(=O)CC[C@@H](C)c1ccccc1 749921361 LVOMTPHESTXBMB-MRXNPFEDSA-N 286.419 3.969 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccccc1C1CC1 751030599 BEKZFUBIKZJDGU-KTKRTIGZSA-N 266.344 3.502 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2Cl)nc1Cl 752978987 UPUOIUDJNPEWIH-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccccc2N2CCCCC2)C1 753588071 SLDPEPLPFHCSBS-IBGZPJMESA-N 297.446 3.803 30 20 CHED CC1(C)CC[C@H](Nc2ccc(F)cc2OCC#N)C1 753965117 SQNPFXMWRZYTCW-LBPRGKRZSA-N 262.328 3.719 30 20 CHED C=CC[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 754340653 FYOOINWTDINAHN-QSPRXWTASA-N 254.377 3.501 30 20 CHED CCCCCCCCNC(=O)Cc1ccsc1 754853743 JVSFCFOJJBDVBD-UHFFFAOYSA-N 253.411 3.767 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cccc3[nH]ccc23)cc1 755461920 LERGUPIBXHWATH-UHFFFAOYSA-N 280.287 3.522 30 20 CHED Fc1cc(F)cc(C=NNc2ccc(F)cc2F)c1 755464918 SOKDSRSNCRHEGA-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H](C)[C@@H]1C)c1ccccc1 757059338 QMADLWSYCZGFES-VYDXJSESSA-N 284.403 3.581 30 20 CHED COc1cccc2c1C/C(=C/c1cccc(F)c1)C2=O 759663168 BIKBOBFQBGBSQA-WQLSENKSSA-N 268.287 3.657 30 20 CHED Cc1cc(C)c(C=NNc2ccccc2Br)[nH]1 760240071 RMMMFQGIXRWWEE-UHFFFAOYSA-N 292.180 3.840 30 20 CHED CC(C)CC(=NNc1ccc(C#N)cc1)c1ccccn1 760243263 OEHBBWSYBJSIMC-UHFFFAOYSA-N 278.359 3.816 30 20 CHED CC(C)c1ccc2c(c1)C(=NNC1CCOCC1)CCC2 760248726 KKMUFUQYFNPMIS-UHFFFAOYSA-N 286.419 3.619 30 20 CHED C=CCCC(=O)COC(=O)C[C@@H](CC)c1ccc(C)cc1 761404745 VWQSFRGFHZWCCK-OAHLLOKOSA-N 288.387 3.957 30 20 CHED C[C@H]1CC(=NNc2cnn(C)c2)C[C@H](c2ccccc2)C1 761868083 VXDNJVVOUOQFOD-UKRRQHHQSA-N 282.391 3.792 30 20 CHED CCCCCCCCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 763198409 QIXDPFNQQHAIKP-CYBMUJFWSA-N 294.443 3.856 30 20 CHED C#CCCN(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 764234380 QPZGSDDNQQLRIM-UHFFFAOYSA-N 299.336 3.700 30 20 CHED C=C(CN[C@@H](C)c1ccc2c(c1)CCO2)c1ccccc1 765417538 VTBRPKUPHQDVFZ-HNNXBMFYSA-N 279.383 3.986 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@H]2Cc3ccccc32)cc1 765755964 VAUVXVRPNRJMRH-MAUKXSAKSA-N 291.394 3.689 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC(C)(C)C[C@H]2C)o1 766012874 KMCVSSKOJIJRSS-SNVBAGLBSA-N 274.368 3.894 30 20 CHED CCCCCCCCN1CCOC[C@H]1c1c(C)n[nH]c1C 766277029 AXXNHGZACVGNKU-INIZCTEOSA-N 293.455 3.760 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2cc(C)cc(C)c2)c1 766399945 SEFMPHXGQRIYBZ-UHFFFAOYSA-N 278.355 3.953 30 20 CHED Cc1nn2c(C=NNc3ccccc3)c(C(C)C)nc2s1 766678025 JGLRCWZUYXMJLB-UHFFFAOYSA-N 299.403 3.669 30 20 CHED CCCCCCCCC(=O)N(C)c1ccc(OC)cn1 766843419 WRDRYXPACAMXLB-UHFFFAOYSA-N 278.396 3.804 30 20 CHED C#CCCCN(Cc1ccccc1)C[C@H](O)c1ccsc1 766907255 XGOCQMFAMLYPLF-SFHVURJKSA-N 299.439 3.697 30 20 CHED COc1cc(C)nc(CON=Cc2ccc(Cl)cc2)c1 769554650 CLSMQBZGNHPRQK-UHFFFAOYSA-N 290.750 3.603 30 20 CHED CCn1nc(/C=C/C(=O)c2ccc(C)o2)c2ccccc21 769742166 JCPKVVWTMAWWEI-MDZDMXLPSA-N 280.327 3.854 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CC[C@@H]2c2ccccc2)c1 769799462 XPVITXCYKANBDD-CYBMUJFWSA-N 296.761 3.952 30 20 CHED C=CC[C@@H]1N(C[C@H](O)c2ccc(C#N)cc2)CCCC1(C)C 769954014 QMTAMEXMELBIFU-ROUUACIJSA-N 298.430 3.658 30 20 CHED CCC(=NNc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 772990784 OYMRBMMHLVCYEH-UHFFFAOYSA-N 294.314 3.693 30 20 CHED CCc1nn(C)c(Cl)c1C=NN[C@@H]1CCCCC1(C)C 773122633 BOZQPRIJBYWQRU-CYBMUJFWSA-N 296.846 3.528 30 20 CHED CC(C)CCOc1ccc(C(=O)/C=C/c2ccn(C)n2)cc1 773143858 FSRBXOKIVGZKSL-RMKNXTFCSA-N 298.386 3.741 30 20 CHED Cc1cc(/C=C2/Oc3cc(F)ccc3C2=O)cc(C)c1O 773174752 WNBJXPPGKYPSHP-VIZOYTHASA-N 284.286 3.764 30 20 CHED C=C(CC)COc1c(F)c(F)c(F)c(F)c1F 773214477 WNKXKQPUIWRWCC-UHFFFAOYSA-N 252.182 3.727 30 20 CHED CC(=NOC1CCCC1)c1ccc(Br)cc1O 774596303 BZYUZMDMXSZZEY-UHFFFAOYSA-N 298.180 3.838 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(Cl)cc1C#N 775604016 OBXBSUKRLKYNJO-UHFFFAOYSA-N 275.783 3.583 30 20 CHED Cc1nc(CC(C)C)sc1C(=O)OCCC(C)(C)C#N 776382681 BBULYTRNCTYBIT-UHFFFAOYSA-N 294.420 3.747 30 20 CHED Cc1cccc2c(CC(=O)OCCC(C)(C)C#N)c[nH]c12 776386646 KXPZZGDGFLHEHA-UHFFFAOYSA-N 284.359 3.502 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H]2CCC(F)(F)C2)cc1 777243762 YBPWDCWBMLIROT-OCCSQVGLSA-N 279.330 3.537 30 20 CHED Cc1ccc(F)cc1C=NNc1cc(C#N)cc(Cl)n1 777888716 COXHJOZLQRIPMJ-UHFFFAOYSA-N 288.713 3.500 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(Br)n2)o1 777914712 CNDKCRUKNAIIAL-VOTSOKGWSA-N 292.132 3.642 30 20 CHED C#CCCCOC(=O)c1c[nH]cc1-c1ccc(C)s1 778433429 MARKCYLEAWEAHV-UHFFFAOYSA-N 273.357 3.622 30 20 CHED COc1cccc(NN=C(c2ccccc2C)C2CC2)n1 779816173 BZINRWOUINNITH-UHFFFAOYSA-N 281.359 3.625 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](C)c1sc(C)nc1C 779920473 JSEVROYLWOLAET-ZDUSSCGKSA-N 292.448 3.863 30 20 CHED C#CCCCCCC(=O)NC(C)(C)c1cccc(C)c1 779952827 NXRBDQCWJMFGKD-UHFFFAOYSA-N 271.404 3.930 30 20 CHED COc1ccc(C)cc1[C@H](C)OC(=O)c1cccc(C#N)c1 781629730 QJTAKRHBGLNCRO-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc(C(=O)O)cc1Cl 782286381 JGPIYWGGJYPQGU-ZDUSSCGKSA-N 294.782 3.540 30 20 CHED CC(C)c1ncc(C=NN[C@H]2CCCC2(C)C)s1 782303645 XVCIMIJOZWDKHQ-LBPRGKRZSA-N 265.426 3.769 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C/c1scnc1C1CC1)O2 782331654 WYTFLZOJRWNBOA-SDQBBNPISA-N 299.351 3.651 30 20 CHED N#C[C@H](C(=O)C1=CCCCC1)c1ccc2ccccc2n1 783068269 KTQCFZMTAXEAOI-HNNXBMFYSA-N 276.339 3.911 30 20 CHED C#CCNC(=O)[C@H](C)S[C@@H](C)c1ccc(C(C)C)cc1 783906274 HOKQGSUGXWPNNF-KBPBESRZSA-N 289.444 3.742 30 20 CHED C=CCC(CC=C)C(=O)OCc1csc([C@@H](C)OC)n1 784119231 RBWMPBHBBZZRRI-LLVKDONJSA-N 295.404 3.662 30 20 CHED C[C@@H]1OCCC1=NNc1cc(Cl)cc(Cl)c1 790201409 DXOPSRWVGCCKPB-ZETCQYMHSA-N 259.136 3.570 30 20 CHED Clc1cc(Cl)cc(NN=Cc2cncs2)c1 790201496 FDXOWUWTJSGDDZ-UHFFFAOYSA-N 272.160 3.896 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC2(CCCCC2)CC1 791065591 VPILZSOIFWAQEX-OAHLLOKOSA-N 276.424 3.544 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2Br)no1 791432668 OFVRYJUCEODJJZ-VOTSOKGWSA-N 292.132 3.642 30 20 CHED CCC(CC)NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1 793011360 CEJVVYIHUMXPJP-ZDUSSCGKSA-N 292.398 3.735 30 20 CHED Cc1cccc(F)c1NN=C[C@@]1(C)CCCS1 793040022 BTCKUAIKMWNSIO-CYBMUJFWSA-N 252.358 3.818 30 20 CHED CC(C)Oc1ccc(N[C@@H](C)C2CCOCC2)cc1C#N 793063817 WGOKMPMSRQUVKK-ZDUSSCGKSA-N 288.391 3.572 30 20 CHED CC1(CNN=C/C=C/c2ccccc2[N+](=O)[O-])CCCC1 793083601 BMMBTDMYGLJSRX-JVQRMRGBSA-N 287.363 3.764 30 20 CHED COc1ccc(NN=Cc2cccnc2)c(C(F)(F)F)c1 793099887 XKVNWRHYHFFOPM-UHFFFAOYSA-N 295.264 3.555 30 20 CHED CCN(c1ccc(NC(=O)c2ccc(C#N)o2)cc1)C(C)C 794221375 JOFTXFJCQCHXML-UHFFFAOYSA-N 297.358 3.638 30 20 CHED COCCC[C@@H](Cc1ccccc1)/N=C/c1ccccc1O 794834111 QROLGUOSKLONPW-XTFSCAMASA-N 297.398 3.849 30 20 CHED Fc1ccc(/C=C\C=NNc2nccnc2Cl)cc1F 794912315 CGJWZUVHTQIFHU-CENFTQODSA-N 294.692 3.519 30 20 CHED COCCCON=C1CCc2cc(Cl)cc(Cl)c21 795041721 HRGPENRBKQYZLR-UHFFFAOYSA-N 288.174 3.697 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc3ccccc3c2)o1 796149082 WVJHKGTYTBTURC-UHFFFAOYSA-N 277.279 3.661 30 20 CHED CC(C)CCOC(=O)C(C)(C)c1cc(F)cc(C#N)c1 796816800 FMPIXWZGNBRNCQ-UHFFFAOYSA-N 277.339 3.564 30 20 CHED C#C[C@@H](CC)OC(=O)c1ccc(-c2csc(C)n2)cc1 799624443 DTDXIUBDMKJTKU-AWEZNQCLSA-N 285.368 3.687 30 20 CHED CCOc1cc(/C=C/C(=O)c2cc(C)c(C)o2)ccc1O 799897314 NYSRGVZWRSDUGV-SOFGYWHQSA-N 286.327 3.897 30 20 CHED CCCCCCCCCNC(=O)N(C)CC(F)(F)F 800004447 NWDDTHHQKCSNSX-UHFFFAOYSA-N 282.350 3.941 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1ccccc1SC 800011528 VMVQVEPXJQVSHE-LBPRGKRZSA-N 280.389 3.605 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2nc(C(F)(F)F)cs2)C1 800814051 OVHVKUBPYKPQDY-HTQZYQBOSA-N 277.315 3.996 30 20 CHED CCCN(CCO[C@H](C)C#N)[C@H](CC)c1ccccc1 801913206 ABTITOILZGGVJD-NVXWUHKLSA-N 274.408 3.778 30 20 CHED CCSc1ccc(Cl)cc1NCCO[C@@H](C)C#N 802742096 AHKHFNJGYJEAAH-JTQLQIEISA-N 284.812 3.793 30 20 CHED C=C(C)COC(=O)c1cc(Cl)nc2ccccc12 804002192 PISXGFWVZGPMSK-UHFFFAOYSA-N 261.708 3.621 30 20 CHED C=C(CNC(=O)c1cc(Cl)cs1)c1ccccc1 805251244 RYFYRFFPOWCGJZ-UHFFFAOYSA-N 277.776 3.845 30 20 CHED CCOc1ccc(N(C)C(=O)CCCCCC#N)cc1 807600812 QQLPBQWLZLHZPN-UHFFFAOYSA-N 274.364 3.522 30 20 CHED C#C[C@H](NC(=O)CC[C@@H](C)c1ccccc1)C(C)(C)C 807884739 VQCGMKAAXNDGDW-ZBFHGGJFSA-N 271.404 3.734 30 20 CHED C#C[C@H](NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1)C(C)(C)C 808314879 LCXWBWFNIPIRCU-UAGQMJEPSA-N 298.430 3.827 30 20 CHED C#C[C@H](NC(=O)N1CC[C@H](c2ccccc2C)C1)C(C)(C)C 808315769 MADMIALDBGQGQW-RDJZCZTQSA-N 298.430 3.542 30 20 CHED C#CCCCNc1cccc(Cl)c1OCC(F)F 809195815 YFGYOWHBQYRLPA-UHFFFAOYSA-N 273.710 3.809 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1ccc(F)cc1F 809577969 GFQQTFVQEHKJND-CYBMUJFWSA-N 252.308 3.555 30 20 CHED C#C[C@H](C)NCc1cn(Cc2ccccc2)c2ccccc12 809683660 IUBHEEWXVZEVED-INIZCTEOSA-N 288.394 3.801 30 20 CHED C#CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 810228921 OACIQHHEKIHLRY-UXHICEINSA-N 286.378 3.900 30 20 CHED C#Cc1ccccc1CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 810481523 VACCGTVVTNVXNQ-IPELMVKDSA-N 295.426 3.638 30 20 CHED Cc1ccc2sc(C(=O)OCCCC#N)cc2c1 810651582 NZVUGWLPBDQANW-UHFFFAOYSA-N 259.330 3.670 30 20 CHED C#CCN(C/C(C)=C/c1ccccc1OC(F)F)C1CC1 811490123 NATOJNLKTGFYPZ-ACCUITESSA-N 291.341 3.789 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 812007083 KLGQFWOFSKXNJB-DOMZBBRYSA-N 290.382 3.576 30 20 CHED CCc1ccccc1N=Cc1c(O)cccc1OC 812394616 DSOCLUGDJPEVDA-UHFFFAOYSA-N 255.317 3.714 30 20 CHED C#C[C@H](NC(=O)CCCC1CC1)c1ccc(Cl)cc1 812578518 QRKBIFFURLBRJD-HNNXBMFYSA-N 275.779 3.711 30 20 CHED C#CCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1CC 813292719 WQCMYPUMMAAEPP-UHFFFAOYSA-N 288.347 3.679 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)CCc1ccccc1F 814459619 AYWHNXLVDYNOIW-UHFFFAOYSA-N 292.398 3.612 30 20 CHED COC[C@@H](C)NN=Cc1sc2c(Cl)cccc2c1C 814895758 UPWZBTJLGQFQKT-SECBINFHSA-N 296.823 3.822 30 20 CHED Fc1ccc(CON=Cc2ccc(Cl)o2)cc1 814903695 WCDOMGYNJDSYJX-UHFFFAOYSA-N 253.660 3.623 30 20 CHED Clc1cccc(NN=Cc2nc3c(s2)CCCC3)n1 814939437 QNYFCPYLSNIVGR-UHFFFAOYSA-N 292.795 3.516 30 20 CHED C=CCC(F)(F)C(=O)NCC(C)(C)c1cccc(C)c1 815139094 QMTJOVJDVCQSEX-UHFFFAOYSA-N 281.346 3.600 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc2ccsc2s1 815649171 IXTZDCQIPBBUKN-UHFFFAOYSA-N 274.317 3.508 30 20 CHED CCCCCCCCCCC(=O)N1C[C@@H](CO)C[C@@H](C)C1 817632117 RJSANJIFETWGOE-SJORKVTESA-N 297.483 3.994 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C1CCC=CCC1 821797439 PLYCHBVABBUHIZ-ZDUSSCGKSA-N 284.359 3.662 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](CC)CC(F)(F)F)c1 823083487 BPGSIFNNWVEUSP-CYBMUJFWSA-N 297.320 3.999 30 20 CHED CC(C)(C)Oc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1C#N 824721751 IRMGVNJBNWSTOA-TZMCWYRMSA-N 283.375 3.840 30 20 CHED CC(C)C[C@@H](C)OC(=O)Oc1ccc(C#N)c(F)c1 830435517 UNRKAYPJSHRPEJ-SNVBAGLBSA-N 265.284 3.647 30 20 CHED CC(CC(C)(C)C)=NNc1nc(O)c2ccccc2n1 834961698 POEQEJQEYLEWBV-UHFFFAOYSA-N 272.352 3.559 30 20 CHED Cn1c([C@H](C#N)C(=O)C(C)(C)C2CCC2)nc2ccccc21 835034494 BMTNQDOPCUYJFH-CYBMUJFWSA-N 295.386 3.576 30 20 CHED O=C(C#CC1CC1)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 837693773 WITADTIKXLUIAI-GOEBONIOSA-N 287.790 3.506 30 20 CHED C=CCc1ccccc1OC(=O)COC(C)(C)CC 838784322 PTOPIZQNTZJFMY-UHFFFAOYSA-N 262.349 3.526 30 20 CHED Cc1ccc(CCC(=O)O[C@H]2CCC[C@@H](C#N)C2)s1 839064896 YFOBZSNKJJXQET-OLZOCXBDSA-N 277.389 3.615 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@]1(C)CCC[C@H]1C 839323199 YTIYPFRKWNLROA-XNJGSVPQSA-N 286.375 3.742 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 841240187 OTBNHLBKOZCKCU-QBFSEMIESA-N 285.391 3.618 30 20 CHED CCCC[C@@H](CC)C(=O)Oc1cccc(OCC#N)c1 841342474 GEFPIADXNULKIT-CYBMUJFWSA-N 275.348 3.711 30 20 CHED N#CC1(C(=O)Nc2ccc3ccnc(Cl)c3c2)CCCC1 841366523 BIKAAVALVAPAPD-UHFFFAOYSA-N 299.761 3.911 30 20 CHED C[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2nc(C3CC3)cs2)C1 842941450 PTDNQEGQBPHPMV-JLLWLGSASA-N 274.389 3.633 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc3c(c2)CCN3C)co1 844553854 ZDWGBVGPOWPWHC-ALCCZGGFSA-N 296.370 3.686 30 20 CHED C=C(C)CON=C(C)c1nc2ccc(Cl)cc2n1C 844618679 DVHLWMZCQPSXLH-UHFFFAOYSA-N 277.755 3.543 30 20 CHED COC[C@@H](Nc1ccc(C#N)cc1C)c1ccc(C)o1 846748565 AIYIUKVVCZEVBK-OAHLLOKOSA-N 270.332 3.568 30 20 CHED C=C[C@@H](CC)OC(=O)c1ccc(C(F)F)cc1F 847674271 DADLZXIUUYQJIA-VIFPVBQESA-N 258.239 3.885 30 20 CHED CCCCCCCOC(=O)c1coc(-c2cccnc2)n1 849853421 VGKHIPQNXKLGMJ-UHFFFAOYSA-N 288.347 3.864 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(N)c(C)c1 850770531 VBCHZYZJJLDPRN-UHFFFAOYSA-N 275.396 3.835 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C/c1cccc(F)c1 851212822 BPDWXXALSPHAJP-ABZNLYFFSA-N 275.323 3.710 30 20 CHED C=CC[C@H]1CCCCC1=NN[C@H]1CCOC(C)(C)C1 853336317 VOEDCLCEKDVNMQ-KBPBESRZSA-N 264.413 3.656 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2cc(F)ccc2C)[C@@H]1C 853393674 PAAJXVMWTBVJGS-VXGBXAGGSA-N 292.354 3.511 30 20 CHED C=CCCC[C@H](C)OC(=O)c1cnc2n1CCCCC2 857015769 AZCIXEXKNXOSEC-ZDUSSCGKSA-N 276.380 3.511 30 20 CHED CCCc1ccc(/C=C\C(=O)c2cc(C)nn2C)s1 857203190 ZDKXGROISYTQBH-HJWRWDBZSA-N 274.389 3.639 30 20 CHED CCCCCCCNC(=O)N(C)Cc1cc(Cl)cn1C 858110808 JHTPZMUZXPOFGZ-UHFFFAOYSA-N 299.846 3.790 30 20 CHED C#CC[C@@H](CCOC)NCc1cc2cccc(CC)c2o1 858335153 WJLLBMFWOFARTI-INIZCTEOSA-N 285.387 3.513 30 20 CHED CCCCCCCNC(=O)C(F)(F)c1ncccc1C 862357589 ZNMQKBBCOCQCIR-UHFFFAOYSA-N 284.350 3.568 30 20 CHED C=CCn1c(C)nnc1SCCCSC(C)(C)C 865345086 MNWJEDYAKUIZED-UHFFFAOYSA-N 285.482 3.786 30 20 CHED N#C[C@@H](C(=O)C1CCC=CCC1)c1cnc2ccccc2n1 873524595 XNBGDUDOBSDTRD-CQSZACIVSA-N 291.354 3.552 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1sccc1C#N 887961466 CNSCYXHKWBUBFT-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C=C1CCC(C(=O)N2CCc3cc(C)ccc3C2)CC1 890172307 QNJKOKGGUXKBQX-UHFFFAOYSA-N 269.388 3.626 30 20 CHED C=CC(C)(C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 892702584 FIEKFYHRXFBEIJ-GFCCVEGCSA-N 281.359 3.650 30 20 CHED C=CC1(OC(=O)c2nc(-c3ccccc3F)oc2C)CC1 893362840 LYNWISUWJHYPBQ-UHFFFAOYSA-N 287.290 3.665 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(C(=O)N2CCCC2)cc1 894206495 YGPMFIANXWFQTP-AWEZNQCLSA-N 299.418 3.663 30 20 CHED C=C1CCC(c2nc(Cc3ccc4n[nH]cc4c3)no2)CC1 896284737 YSTNUBWVXLGLFV-UHFFFAOYSA-N 294.358 3.751 30 20 CHED COc1ccc(NN=Cc2c(C)nn(C(C)C)c2C)cc1 901206375 KLAGUAOCECIEHV-UHFFFAOYSA-N 286.379 3.535 30 20 CHED N#Cc1ccnc(CNc2ccccc2N2CCCCC2)c1 901354726 WDXYGXFBBCFOBH-UHFFFAOYSA-N 292.386 3.556 30 20 CHED CC[C@@H](C)CC(=O)N(O)Cc1cccc2ccccc12 901371255 SUDLHIGRZIPXMR-CYBMUJFWSA-N 271.360 3.994 30 20 CHED C=C(C)C[C@@H](NC/C=C\c1c(C)cc(C)cc1C)C(=O)O 901682942 YHAASMXMDVSWBY-JTGQJZMRSA-N 287.403 3.634 30 20 CHED CC[C@@H](Nc1cc(CCOC)ccn1)c1cccc(C#N)c1 902986485 BGZOLTZAJQLXQL-QGZVFWFLSA-N 295.386 3.705 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H](C)c1cnccn1 906364536 RGWIOSJCLNQJBW-HUUCEWRRSA-N 291.439 3.693 30 20 CHED Brc1ccc(NN=Cc2cccs2)cc1 912822125 OLPGREWPECZOMU-UHFFFAOYSA-N 281.178 3.957 30 20 CHED COCCOc1ccc(C(C)=NOCc2ccccc2)cc1 915959626 GXBCZBOIKFETHN-UHFFFAOYSA-N 299.370 3.653 30 20 CHED CCc1ccc(C=NNc2nc3ccccc3n2C)cc1 915967259 GGVOHZYEUKLJSE-UHFFFAOYSA-N 278.359 3.582 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Cl)cc1Cl 916114568 AGTSKXCKHAPVLK-UHFFFAOYSA-N 275.204 3.856 30 20 CHED CCOc1ccc(C=NNc2ccc(C)cc2)cc1 916250629 PMXQHLSYLTWEFS-UHFFFAOYSA-N 254.333 3.840 30 20 CHED C[C@H](CC(=O)Oc1ccc(C#N)cc1)CC(C)(C)C 916851927 LFKMYMQFBLPIPI-GFCCVEGCSA-N 259.349 3.926 30 20 CHED C/C(=C/C(=O)Nc1sccc1C#N)c1ccccc1 917562372 PJCLOZAJSHSNFG-LUAWRHEFSA-N 268.341 3.662 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cc(C)no1 917872558 MKAVGPMNDDLFSS-GFCCVEGCSA-N 266.385 3.709 30 20 CHED C=CCN(C(=O)N[C@H](C)Cc1ccccc1C)C(C)C 918082059 YLSIPVHXMXEZBO-OAHLLOKOSA-N 274.408 3.532 30 20 CHED C=CC[C@@H](NC(=O)N1[C@@H](C)CCC1(C)C)c1ccncc1 919004824 VZYDYNQYZZLHIG-DZGCQCFKSA-N 287.407 3.671 30 20 CHED C#CCN(CC)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 919877237 MCJJYNIVKQBWAZ-UHFFFAOYSA-N 294.398 3.532 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1c[nH]c2ccccc12 924536513 ZPGSGOAYKNFOHD-ZDUSSCGKSA-N 269.392 3.628 30 20 CHED C=C(CN[C@@H](C)C1(Br)CC1)c1ccccc1 924841463 KVTUBOSWAMSOAG-LBPRGKRZSA-N 280.209 3.605 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCSc1nccs1 925103768 RPGMLWAJLMWUHQ-NSHDSACASA-N 283.466 3.543 30 20 CHED CCOCCC1(CN[C@H](C)CC(C)(C)C#N)CCC1 925541128 ANLMBHPZOMUKNS-CQSZACIVSA-N 266.429 3.501 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 926493232 PYLPBUPCBBSJRJ-NEPJUHHUSA-N 275.352 3.574 30 20 CHED CCCCCCCC(=O)NCc1nc2c(s1)CCC2 927660261 DKOOCXVXXCXTJB-UHFFFAOYSA-N 280.437 3.609 30 20 CHED N#C[C@@H]1CCCN(C(=O)c2ccc(C3CCCC3)cc2)C1 928215176 JEJUWGLGBISPFZ-AWEZNQCLSA-N 282.387 3.720 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc2c(cc1Cl)OCO2 929571969 BJXRQLAVILPEJD-SECBINFHSA-N 281.739 3.610 30 20 CHED C=CCCCCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 931803850 YUTMLMCPSLLYIG-SFHVURJKSA-N 281.403 3.714 30 20 CHED C[C@H](c1ccccc1Br)N1CCC[C@@H](C#N)C1 932158520 KFDLFGSYSDNLFC-NEPJUHHUSA-N 293.208 3.746 30 20 CHED N#C[C@H]1CCCN(Cc2csc(C3CCCCC3)n2)C1 932159852 RXTHMHFGKJTMTF-CYBMUJFWSA-N 289.448 3.926 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@@H](O)c1ccc2ccccc2c1 934750360 OWEDKIWBPAUVFF-KBXCAEBGSA-N 297.398 3.592 30 20 CHED CC(C)CCN(CCC#N)C(=O)CC(C1CC1)C1CC1 1116231302 UBLCNEHKLGAFQK-UHFFFAOYSA-N 276.424 3.601 30 20 CHED CN(c1cccc(CC#N)n1)[C@@H]1CCC[C@H]1c1ccccc1 1118003878 JDRYIWGKLQFNIW-ZWKOTPCHSA-N 291.398 3.920 30 20 CHED C=C(CC)C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 1123539727 VHWPUAJEUFTALD-HNNXBMFYSA-N 285.391 3.733 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1cc(C#N)ccc1C 1124205508 PZUDJFOCVVXKHJ-CQSZACIVSA-N 272.392 3.813 30 20 CHED Cc1cc(NC(=O)C[C@H](C)CC(C)(C)C)ncc1C#N 1130505031 YQJIZAXTWWNFKF-NSHDSACASA-N 273.380 3.663 30 20 CHED C=C(Cl)CN[C@H](COc1ccccc1F)C(C)(C)C 1168529332 KRXZRNYMSWDTMM-CQSZACIVSA-N 285.790 3.961 30 20 CHED C=C(Br)CN1CC(C)(C)CC(C)(C)C1 1169005527 ULMSBROQIDPYKT-UHFFFAOYSA-N 260.219 3.653 30 20 CHED CCc1ccc2c(c1)CN(Cc1ccc(C#N)s1)CC2 1177033653 NJSUZVQCFMXVQL-UHFFFAOYSA-N 282.412 3.740 30 20 CHED C[C@H](CC(=O)Nc1ccccc1)Nc1cc(F)cc(C#N)c1 1179353736 VWUJTTLJIJEGAD-GFCCVEGCSA-N 297.333 3.527 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(C3CCC3)cc2)C1 1237110518 KUKWZOWMWICHPV-OAHLLOKOSA-N 254.377 3.690 30 20 CHED CC(C)(C#N)CCCN1CCC(Nc2ccccc2)CC1 1253418734 FYXKPOUMHBPXAQ-UHFFFAOYSA-N 285.435 3.893 30 20 CHED CC[C@H](CNC(=O)c1csc(C#N)c1)c1ccccc1 1261253615 JFFICNOLJZWLIR-GFCCVEGCSA-N 284.384 3.543 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1cccc(OC)c1 1263703584 YTBWCHQZEIFMIT-QGZVFWFLSA-N 287.403 3.961 30 20 CHED CCC1(C(=O)Nc2cc(C#N)ccc2F)CCCCC1 1275424985 CCYKTKQWMMHNHO-UHFFFAOYSA-N 274.339 3.996 30 20 CHED Cc1cc(N[C@H](C)Cc2ccccc2C)ncc1C#N 1306951856 UIXFKKUUDBSCHN-CQSZACIVSA-N 265.360 3.613 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1ccccc1C 1319320882 PFRWPVAJIVLHOL-LBPRGKRZSA-N 259.378 3.626 30 20 CHED CC(C)(C)ON=C1CCC(C(=O)OC(C)(C)C)CC1 1319687896 ZELTYOAAWRTQAT-UHFFFAOYSA-N 269.385 3.689 30 20 CHED C=CCCCCC[C@@H](C)NCCC(=O)N1CCC[C@@H](C)C1 1323409813 PDNQYUXBLCPANP-IAGOWNOFSA-N 294.483 3.750 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(c2ccc(F)cc2)C1 1324683232 VSTORFDODFKOLB-ZDUSSCGKSA-N 290.382 3.679 30 20 CHED CC(C)[C@H](C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1334259651 HFLVMMMXNOJGNZ-ZDUSSCGKSA-N 270.376 3.736 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CC[C@H](C)C(C)(C)C1 1343612524 HZNUSWSIJGYZCD-NSHDSACASA-N 298.381 3.664 30 20 CHED COCC(=NOC(C)(C)C)c1cccc(Cl)c1F 1343881229 DDKDIPOMFCGLMH-UHFFFAOYSA-N 273.735 3.645 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)O[C@@H](CC#N)c1ccco1 1344935388 FIOMIHVZLWYBGS-SCRDCRAPSA-N 275.348 3.850 30 20 CHED C=C(CC)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 1345824474 SSDGDMSEABINJL-AWEZNQCLSA-N 295.329 3.748 30 20 CHED Cc1ccc(C#N)nc1NCCCCOc1ccccc1 1347182022 UKOOGNHKZMSSSI-UHFFFAOYSA-N 281.359 3.533 30 20 CHED N#CC[C@@H](OC(=O)C1(c2ccccc2F)CC1)c1ccco1 1350312051 QZFYHBFZOXQSHV-OAHLLOKOSA-N 299.301 3.648 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 1436649076 LCUMGDJPUNFQDH-LXTVHRRPSA-N 275.392 3.828 30 20 CHED CCN(C[C@@H](C)C#N)c1nc2c(C)c(C)ccc2s1 1458223267 TZEHXRBHMYQMEM-JTQLQIEISA-N 273.405 3.899 30 20 CHED N#Cc1cccc(OCCN2CCC[C@H]2C2CCCCC2)c1 1473110527 BHXBKCNCJUEDIR-IBGZPJMESA-N 298.430 3.982 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H]1CCCc2cccnc21 1521160737 ZKDIHJKQLWNOJW-JKSUJKDBSA-N 299.418 3.599 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(C#N)cc1F 1527151034 UKRNFYUISMBBJV-INIZCTEOSA-N 288.366 3.738 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccccc1Oc1ccccc1 1539942021 KHCIXPWFTOCLKV-CQSZACIVSA-N 294.354 3.853 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1586199644 DSVLRYHEDCXDFL-UHFFFAOYSA-N 295.729 3.530 30 20 CHED O=C(O)[C@@H]1CCCC(=NNc2c(F)cccc2Cl)C1 1601800880 GJQYDJKJPZPWPF-MRVPVSSYSA-N 284.718 3.522 30 20 CHED C[C@@H]1CCC[C@H](CNc2nc(C#N)c(Cl)s2)C1 1611863650 LDVBPILVNFJVPU-BDAKNGLRSA-N 269.801 3.906 30 20 CHED N#Cc1ccc(COc2ccc(F)c3cccnc23)cc1 1614600324 HKRORRLMNBJDCE-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C[C@@H]1CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1637474019 WMMIIWWIJNHNCT-CYBMUJFWSA-N 291.354 3.536 30 20 CHED CC(C)(CCCc1ccccc1)CN=c1cc[nH]c(C#N)c1 1642282842 XGJINWFCXQCJBH-UHFFFAOYSA-N 293.414 3.836 30 20 CHED CCC[C@H](Cc1ccccc1)Nc1ncc(C#N)cc1F 1651484972 KNDVLQRGEZRUOA-OAHLLOKOSA-N 283.350 3.916 30 20 CHED CC(C)c1cnc(Sc2ccnc(C#N)c2)n1C1CC1 1655164181 KJGYIASWRYTLDY-UHFFFAOYSA-N 284.388 3.759 30 20 CHED C[C@H](CC#N)N(C)[C@H](C)c1nccc2ccccc12 1658955927 ODPRKFPRRNMBDG-CHWSQXEVSA-N 253.349 3.530 30 20 CHED CCC(CC)(CNC[C@@H](C)CCC#N)C(=O)OC(C)(C)C 1660085328 SRWUIDGGUJOUKQ-AWEZNQCLSA-N 296.455 3.664 30 20 CHED Cc1cc(CNC[C@H]2CCC[C@@H]2C2CC2)ccc1C#N 1662652291 JDARZYAKRLBOBQ-QZTJIDSGSA-N 268.404 3.783 30 20 CHED Cc1cc(CN2CCSC[C@H]2C2CCC2)ccc1C#N 1665042088 USFADEUOJDEXMH-KRWDZBQOSA-N 286.444 3.584 30 20 CHED C[C@@H](NCc1cccc(C#N)n1)c1cccc2ccccc12 1665863706 YIDXRKLGLHOKTF-CQSZACIVSA-N 287.366 3.957 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCC(C)(C)CC#N 1678523515 JSJGRSLTZQQAAP-GJZGRUSLSA-N 293.455 3.830 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCC[C@@H]1C 1749266106 CSYXKODBXYWUJW-LBPRGKRZSA-N 294.830 3.677 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CCCCC[C@H]1C 1776050644 QHVKTJFRCRKLDU-LLVKDONJSA-N 290.363 3.762 30 20 CHED Cc1c(NN=Cc2cc3ccccc3o2)cccc1C(=O)O 1776086712 KIOWJDATZRYZQM-UHFFFAOYSA-N 294.310 3.885 30 20 CHED Cc1c(NN=Cc2csc(Cl)c2)cccc1C(=O)O 1776089662 BTNGYFMJDCGCBF-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CC2CCC(CC)CC2)C1 1776158266 JIMAEHHFHFSWEF-DQPZFDDXSA-N 279.424 3.556 30 20 CHED CC(C)c1ccccc1/C=C/C(=O)c1cncc(C(=O)O)c1 1776377763 PZISVJHPATUWQH-BQYQJAHWSA-N 295.338 3.799 30 20 CHED CCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 7240344 MNJWMHOCWZOYAO-ZDUSSCGKSA-N 293.370 3.560 30 20 CHED N#CCCSCc1ccc(Br)cc1 58256519 VILHCWZCCGSCPQ-UHFFFAOYSA-N 256.168 3.596 30 20 CHED CCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 100168471 QKXFERKKJZTWGT-UHFFFAOYSA-N 294.351 3.902 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc(F)ccc1F 171946256 RXXHPAVLHUFVSS-UHFFFAOYSA-N 266.335 3.727 30 20 CHED CC(C)(C)CCNc1ncc(Br)cc1C#N 309286042 IRFIUYMWFPYCBY-UHFFFAOYSA-N 282.185 3.564 30 20 CHED Cc1ccc2cccc(OCC3(C#N)CCC3)c2n1 418808517 QXNMFDYZPFKZKK-UHFFFAOYSA-N 252.317 3.616 30 20 CHED COc1ccc2cc(CNc3ccc(C#N)cn3)ccc2c1 54449406 ALEOUNLEKMFNCQ-UHFFFAOYSA-N 289.338 3.727 30 20 CHED Cc1cc(N(C)C)ccc1NC(=O)Nc1ccc(C#N)cc1 51559715 SOCMEIVMXNHVKQ-UHFFFAOYSA-N 294.358 3.577 30 20 CHED C[C@H]1CCC[C@@H]1CNc1ncc(Br)cc1C#N 310093138 SNCFREQRQIUJHG-VHSXEESVSA-N 294.196 3.564 30 20 CHED C[C@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccccc1F 108994978 XGPGUCATRYXSSC-ZDUSSCGKSA-N 290.382 3.718 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(OC)cs1 176537317 ZXUGYWIKFOEELE-UHFFFAOYSA-N 287.384 3.585 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(C)n[nH]1 119616000 CPCHZJWBZYOMSQ-UHFFFAOYSA-N 265.401 3.541 30 20 CHED C#CCCCCC(=O)Nc1cccc(OCCCC#N)c1 119645840 AHQHRZQNRWFATR-UHFFFAOYSA-N 284.359 3.501 30 20 CHED CC(C)[C@@H](C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 171977069 PKNWZHYLZHRZNT-BXKDBHETSA-N 299.201 3.966 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 119330025 JWYWTYPGAHSTAF-HNNXBMFYSA-N 274.408 3.910 30 20 CHED C#CCCCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 119877353 RJCJBFNPBRZRGE-ZBFHGGJFSA-N 287.378 3.724 30 20 CHED Cc1occc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 66396961 XPOJWLNXYMJMLB-MRXNPFEDSA-N 296.370 3.880 30 20 CHED CC(C)CN(CCC#N)Cc1sccc1Cl 303964734 OIRQPPMBQPDAOG-UHFFFAOYSA-N 256.802 3.773 30 20 CHED COc1ccccc1CN(c1ccc(C#N)cc1)C1CC1 301287372 RZLGTJBALRGSPC-UHFFFAOYSA-N 278.355 3.736 30 20 CHED Cc1cc(COC(=O)c2cc(C#N)cs2)c(C)s1 176473353 TVJUCRZWKUEONB-UHFFFAOYSA-N 277.370 3.655 30 20 CHED COc1cccc2c1CC[C@H]2NCC(C)(C)CCC#N 348233217 VCINPMFPMBECKS-OAHLLOKOSA-N 272.392 3.602 30 20 CHED CC(C)[C@@H](CNc1ccc(C#N)cc1F)c1cccnc1 301567546 KZOZGTCSBTVBNG-OAHLLOKOSA-N 283.350 3.944 30 20 CHED Cc1cccc2nc(CNc3cccc(F)c3C#N)n(C)c12 301645295 CUOPOHXBTJBFBN-UHFFFAOYSA-N 294.333 3.505 30 20 CHED CN(C)c1ccc(CNc2c(F)cc(C#N)cc2F)cc1 63508167 YZQNWWWLAROTOJ-UHFFFAOYSA-N 287.313 3.515 30 20 CHED C=C(C)COCCNc1c(C)cnc2c(OC)cccc12 302628578 IPYOOSSYKPPNEK-UHFFFAOYSA-N 286.375 3.556 30 20 CHED N#CCCN(Cc1ccco1)C(=O)CCC1CCCCC1 60625932 RXOXAHZVGQTDNU-UHFFFAOYSA-N 288.391 3.882 30 20 CHED N#CCCCCN(Cc1ccc(F)cc1)CC1CC1 115561692 WJQOHJRUKLQQSX-UHFFFAOYSA-N 260.356 3.732 30 20 CHED C=CCC[C@H](NC(=O)NCCCCC#N)c1ccccc1 178934795 BLGLGUOCMYDSIV-INIZCTEOSA-N 285.391 3.687 30 20 CHED CCN(C(=O)[C@@H]1C[C@@H]1C1CC1)[C@H](C)c1ccc(C#N)cc1 176665465 FQXGFIXOMWWKII-CSMYWGQOSA-N 282.387 3.514 30 20 CHED N#Cc1ccc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)c(F)c1 301720621 ZXHXYFINCJHYDQ-HDMKZQKVSA-N 278.330 3.695 30 20 CHED CC(C)Oc1ccc(CNCC(C)(C)CCC#N)cc1 174262876 XJIBQCIKFIRLMZ-UHFFFAOYSA-N 274.408 3.893 30 20 CHED COCc1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1 172818365 FKCBYBJTZCCCPO-MHWRWJLKSA-N 294.350 3.751 30 20 CHED C=CCN1CCC(N[C@H](C)c2cc3ccccc3o2)CC1 177913531 VWHOXAQHVCBFAI-CQSZACIVSA-N 284.403 3.734 30 20 CHED Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C#N)c2C)cc1 178631911 MNIXGSUAGZQTFG-CQSZACIVSA-N 294.354 3.581 30 20 CHED COc1ccc(N[C@@H](C)c2cccc(C#N)c2)c(OC)c1 37195617 SSGSYXATJOSKRR-LBPRGKRZSA-N 282.343 3.749 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 77611340 CJGYQLSGVIYIRS-RHSMWYFYSA-N 299.418 3.668 30 20 CHED N#Cc1cc(NC(=O)c2ccnc(Cl)c2)ccc1Cl 37979474 YRSXTRDSPZRACX-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1cc2occ(CC(=O)OCC(C)(C)C#N)c2cc1C 180138847 DZMPBHHLOSLXRC-UHFFFAOYSA-N 285.343 3.685 30 20 CHED CCC(CC)c1cc(C(=O)Nc2ccc(C#N)cc2)on1 128692809 WJVZMWBPKNDYKE-UHFFFAOYSA-N 283.331 3.702 30 20 CHED C=CCN1CCC(N[C@@H](CC)c2cccc(F)c2)CC1 187977405 XODGLDCIKOAMFZ-KRWDZBQOSA-N 276.399 3.517 30 20 CHED C[C@H](Sc1ncccc1C#N)c1ccc(F)cc1 78344181 SEQPBLOUXAACEY-JTQLQIEISA-N 258.321 3.946 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1ccc(OCC#N)cc1)C2 315465177 OFTYYISIBKOLSY-IEZWGBDMSA-N 298.430 3.893 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCOc1ccccc1 189341087 WTNYLWARTRRALT-OAHLLOKOSA-N 280.371 3.630 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2cccc(F)c2)c1 213898495 IPYRXBNCUYHLPD-HJWRWDBZSA-N 283.302 3.680 30 20 CHED COc1ccc(C#N)cc1CN[C@@H](C)[C@@H](C)c1ccccc1 183370984 SRKCNOGUZZZUMU-CABCVRRESA-N 294.398 3.849 30 20 CHED Cc1cc(C/N=C(\N)N(C)C2CC2)ccc1-c1ccccc1 186880374 VAGXQXRXNHZOBV-UHFFFAOYSA-N 293.414 3.571 30 20 CHED C[C@@H](CCc1ccccc1)CNCC1(C#N)CCC1 418144945 VZAKBSOOSHSPKO-HNNXBMFYSA-N 256.393 3.539 30 20 CHED C=C(C)[C@H](NCc1cscn1)c1ccc(F)c(F)c1 187373741 JVOJXQFOBODHHK-AWEZNQCLSA-N 280.343 3.828 30 20 CHED C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](C)C1 508849713 RSHXLUUNMFIEIK-CQSZACIVSA-N 296.418 3.540 30 20 CHED Cc1c(Cl)cnc(NCC(C)(C)OCC2CC2)c1C#N 413509686 HNNNREDFNCOGFC-UHFFFAOYSA-N 293.798 3.532 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(Cl)cc1 216167157 NXWZBJWPWDUGPA-GFCCVEGCSA-N 280.799 3.565 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416112299 VRAVCVOOCVCCFZ-SJORKVTESA-N 296.414 3.878 30 20 CHED C[C@H](C[C@H](O)c1cccs1)Nc1cccc(F)c1C#N 128881495 DZJIHDOTWKBBES-YGRLFVJLSA-N 290.363 3.683 30 20 CHED C[C@@H]1Cc2sc(NC(=O)C3=CCC3)c(C#N)c2[C@@H](C)C1 411007956 HOUBRHSMHMDBIU-UWVGGRQHSA-N 286.400 3.964 30 20 CHED C=CCOc1cccc(CNc2nnc(-c3ccco3)o2)c1 181481247 XIOIYXNZVVKTOI-UHFFFAOYSA-N 297.314 3.507 30 20 CHED CC(C)C[C@H](C)CC(=O)N1CCc2cc(C#N)ccc21 416016061 RBYJMMNHHXVWMV-ZDUSSCGKSA-N 270.376 3.520 30 20 CHED C[C@H](NC[C@H](c1cccs1)N(C)C)c1cccc(C#N)c1 37234636 NIEKJWUCMVKVHT-XJKSGUPXSA-N 299.443 3.573 30 20 CHED N#CCOc1cccc(NCc2ccc3cnccc3c2)c1 318843448 ZVWQKNVRHAKBBP-UHFFFAOYSA-N 289.338 3.749 30 20 CHED CCCCCCCCOCC(=O)Nc1sccc1C#N 129663805 JFANOFBYBIYPQV-UHFFFAOYSA-N 294.420 3.935 30 20 CHED C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1cccc(C#N)c1 75270198 FPFZDZPCMMPQHC-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412312737 HZFPCVPDAPOSMX-UXLLHSPISA-N 257.377 3.651 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1C=CCCC1 189176214 JFARZZBRMYVDJE-MRXNPFEDSA-N 276.424 3.911 30 20 CHED N#CC1(CCN(CC(F)F)C2CC2)CCCCC1 411249912 DTVYNDCQJMRZOO-UHFFFAOYSA-N 256.340 3.580 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)C1CCCCC1 77181786 KINARKNLPXESCA-VOTSOKGWSA-N 265.334 3.819 30 20 CHED CCc1cc2c(Oc3ccccc3C#N)ncnc2s1 43535532 BRRJWBLCAVBOSW-UHFFFAOYSA-N 281.340 3.918 30 20 CHED Cc1c(C(=O)OCC2(C#N)CCC2)oc2ccccc12 183884864 BUCQHDHOKJUOJG-UHFFFAOYSA-N 269.300 3.592 30 20 CHED COCc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1 132422447 GXYQZJGEKRCQJE-ZHACJKMWSA-N 282.339 3.738 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 46644991 GWMYBGIFWVCXQK-ZDUSSCGKSA-N 296.345 3.921 30 20 CHED CSCCCSCc1cccc(F)c1C#N 413009792 SELOYZBIXLYGDI-UHFFFAOYSA-N 255.383 3.684 30 20 CHED C[C@@H]1CCC[C@@H](/C(O)=N/[C@H]2CCO[C@@H]2c2cccnc2)C1 328966273 MTADDJSYBZQBMQ-LUYZLQTOSA-N 288.391 3.694 30 20 CHED C=C(C)CCc1noc(CCCc2ccc(OC)cc2)n1 508630429 FEGWUJHVPPTKSO-UHFFFAOYSA-N 286.375 3.762 30 20 CHED Cc1ccccc1CCCN(CCC#N)CC1CC1 84678390 AGUDUYQTWREGJW-UHFFFAOYSA-N 256.393 3.553 30 20 CHED Cc1cccc2ncnc(Oc3ccc(C#N)cc3)c12 80761806 XJYCVBHEZLJCFQ-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc2ccccc2o1 80069385 SPNPHMRBSAFOBR-UHFFFAOYSA-N 276.339 3.936 30 20 CHED C=CCN(C)c1nnc(-c2ccc3ccccc3c2)n1CC 515436159 LAGGZQIYFWIPTI-UHFFFAOYSA-N 292.386 3.740 30 20 CHED C=CC(C)(C)CNC(=O)C1CC(c2cccc(F)c2)C1 515038535 BCOZXLSVXPRVJX-UHFFFAOYSA-N 275.367 3.648 30 20 CHED COc1ccccc1CN(Cc1cc(C#N)cs1)C1CC1 130179162 LNXOFFIQGWNSKR-UHFFFAOYSA-N 298.411 3.793 30 20 CHED CCCCSCCC(=O)N[C@H](C)c1ccc(C#N)cc1 133211045 LZQLASOLTZJZFV-CYBMUJFWSA-N 290.432 3.659 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](c1cccnc1)C(C)C 424715804 UWFWDLLVICDMNM-OAHLLOKOSA-N 274.408 3.540 30 20 CHED CCN(C[C@H](C)C#N)C(=O)Cc1cccc(Cl)c1Cl 193836703 LBAMULXXYBVQDU-SNVBAGLBSA-N 299.201 3.544 30 20 CHED C=CCN(CCC#N)Cc1csc(-c2ccc(C)o2)n1 428867875 QRKRPRJWLQTBNQ-UHFFFAOYSA-N 287.388 3.613 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(OC(C)C)c1 194858944 SVXCDVFWCIUYNF-MDZDMXLPSA-N 298.386 3.720 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(c1)CC(=O)N2C 194710591 UNPMDOAYLPKDJV-UHFFFAOYSA-N 288.391 3.505 30 20 CHED N#Cc1ccsc1C(=O)Oc1ccc(Cl)cc1F 194592064 CATKRXBQAVUGCR-UHFFFAOYSA-N 281.695 3.631 30 20 CHED C=CCCCCCNc1cccc(Cl)c1C(N)=O 195449915 KYNPSLWKQDOBLX-UHFFFAOYSA-N 266.772 3.597 30 20 CHED C=CCCCCCCNC1CCN(CCC)CC1 385032308 HGEYRYAOUUXFMR-UHFFFAOYSA-N 252.446 3.587 30 20 CHED CCc1ccc(CCC(=O)NC2(C#N)CCCCC2)cc1 330449139 XKDURPFDYAJSPQ-UHFFFAOYSA-N 284.403 3.524 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/C[C@H]2CC=CCC2)c1C 331100782 CVOZFCICKCNFIT-JSGCOSHPSA-N 290.411 3.845 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc4ccccc4n3)nc2c1 96874476 YEYMXPUAIMMNRT-UHFFFAOYSA-N 270.295 3.650 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccccc1Br 424573228 PDIPOETWSRXQGA-UHFFFAOYSA-N 296.208 3.668 30 20 CHED C[C@H](CC(F)(F)F)Nc1nc(C(F)(F)F)ccc1C#N 231749731 QISQNAIMXNDAAI-ZCFIWIBFSA-N 297.202 3.725 30 20 CHED C[C@@H]1OCC[C@H]1SCc1ccc(C#N)cc1OC(F)F 339072942 GUZJTDNTMNJQDW-TVQRCGJNSA-N 299.342 3.570 30 20 CHED N#CCC1CCN(C(=O)c2occc2-c2ccccc2)CC1 336357493 IODFUZBXKDGUCX-UHFFFAOYSA-N 294.354 3.712 30 20 CHED Cc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)o1 92034266 AWYBNXFGNSRMHG-UHFFFAOYSA-N 296.370 3.503 30 20 CHED CC(C)(C)c1ccccc1NC(=O)N[C@@H]1CC[C@H](C#N)C1 335135124 AEBWJYRWQVHCDD-QWHCGFSZSA-N 285.391 3.798 30 20 CHED Cc1ccc2[nH]c(CN[C@@H]3CC[C@H](C#N)C3)cc2c1C 335286602 XCYBUXLJVZZXBJ-UONOGXRCSA-N 267.376 3.567 30 20 CHED N#CCCCOc1cccc(CNCc2ccc(F)cc2)c1 237746548 KIDJRZLPLYCFMA-UHFFFAOYSA-N 298.361 3.798 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C)cc(C)c1 436285031 NFMJLPQFNCXTGU-RYRKJORJSA-N 273.420 3.935 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCc2ccccc21 332720921 RUIFYBSMRBUYFR-SJLPKXTDSA-N 284.403 3.551 30 20 CHED C[C@@H](CC#N)N(C)Cc1cccc(Cl)c1Cl 97078778 LYLUREICVRAVAD-VIFPVBQESA-N 257.164 3.727 30 20 CHED Cc1cccc(C)c1NC(=O)CSc1ccccc1C#N 439703774 BBWPPZJIAHLUOM-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(C#N)cs1 93101053 CEWODOVQZMTCEA-UHFFFAOYSA-N 275.421 3.772 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 435078791 UZQGYHQSGWYTMM-RHSMWYFYSA-N 296.414 3.675 30 20 CHED CC1=C(C(=O)Nc2ccc(C#N)cc2Cl)CCC1 335709710 HKMCABUUEPQZTO-UHFFFAOYSA-N 260.724 3.651 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C 438033460 FZWQQHWXYKMERM-IAGOWNOFSA-N 293.451 3.670 30 20 CHED N#CCc1ccc(NC(=O)c2ccnc3ccccc23)cc1 247711976 KFUDPJUMEXMLMZ-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=CCC(C)(C)C(=O)NCCCOc1c(C)cccc1C 432877950 OQSKRHRVLYFWBS-UHFFFAOYSA-N 289.419 3.791 30 20 CHED CC(C)C[C@@H](C)CC(=O)NCC(C)(C)CCC#N 346011969 QBYDOWSHTPPIOU-CYBMUJFWSA-N 252.402 3.505 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C[C@@H]1C[C@@H]1c1ccccc1 341427716 XUMOSNHTPCKUMW-XJKSGUPXSA-N 294.329 3.830 30 20 CHED COc1ccc([C@H](C)CCN[C@H]2CCC[C@@H](C#N)C2)cc1 248701105 AFQASXFVDZHIMK-INMHGKMJSA-N 286.419 3.861 30 20 CHED Cc1ccc(-c2n[nH]c(SCCC(C)(C)C#N)n2)cc1 525703822 JXQKHJRJIIRIRG-UHFFFAOYSA-N 286.404 3.812 30 20 CHED Cc1ccoc1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 346836123 ARECZUUZCWLSLC-UHFFFAOYSA-N 296.370 3.758 30 20 CHED C=CCCCN(CCOC)Cc1ccc(C)cc1C 605150180 GRHUBQHHLSXFJO-UHFFFAOYSA-N 261.409 3.718 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)CC1CCCCC1 437189261 KVIVTKQOFXFJTK-NSHDSACASA-N 274.364 3.548 30 20 CHED Cc1cc(-c2ccccc2Cl)n(C[C@H](C)C#N)n1 601931417 DXSZMOUXXMAVKW-SNVBAGLBSA-N 259.740 3.672 30 20 CHED CC(F)(F)c1ccc(CNc2cccnc2C#N)cc1 432152688 ASCJNQIXAGMPGG-UHFFFAOYSA-N 273.286 3.677 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCC1(CC#N)CC1 430577929 YFNZSTXGFWLQML-HUUCEWRRSA-N 291.439 3.584 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 255521063 YYFSZPGPNKILLT-BHQIHCQQSA-N 289.237 3.769 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cn2)cc1 604190809 UTYJLKFYMOKMKK-UHFFFAOYSA-N 299.333 3.873 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H]1C[C@H]2CC[C@H]1C2 251731566 ZVSSOASGHZAHQT-YXMPFFBPSA-N 285.347 3.703 30 20 CHED CC(C)[C@@H](NCC(C)(C)CCC#N)c1ccc(F)cn1 348216050 NNXHNEIMOXPGNU-OAHLLOKOSA-N 277.387 3.837 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCCOc2cc(F)ccc21 602585865 WMHLICNFSDOUOM-DOMZBBRYSA-N 276.355 3.569 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccc(-c2ccccc2)o1 254930949 GLUMQMYUCXEUKB-NTMALXAHSA-N 292.338 3.885 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1CCC[C@@H](CC)C1 525362327 XGZUHEFVDYZSON-CABCVRRESA-N 287.403 3.950 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](CC)CCC)c1 521072283 VHQNOFOTPMMMEV-CYBMUJFWSA-N 276.380 3.952 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 608960602 QXSYERIAZDQLOC-MELADBBJSA-N 264.413 3.647 30 20 CHED CCn1cc(/C=C2\CCOc3c(C)cc(C)cc3C2=O)cn1 255422025 AFZYGHBVTHJRMU-OQLLNIDSSA-N 296.370 3.569 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cccnc2)cc1OC 255064443 RZPDHRVCZFRPNE-VURMDHGXSA-N 297.354 3.775 30 20 CHED CCOc1ccc(C#N)cc1NCc1ncc(Cl)s1 351989107 PYKHKXQZDKTNIG-UHFFFAOYSA-N 293.779 3.679 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](Nc1ccccc1)C(C)C 449220578 CZCPVBKTJFNELV-MRXNPFEDSA-N 288.435 3.842 30 20 CHED CC[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1 359999982 JLOMBWRXGUFLFN-KDOFPFPSSA-N 292.382 3.929 30 20 CHED Cc1ccc(-c2cc(Cn3cc(C)c(C#N)c3)on2)cc1 532767122 JMYVRQLMYPVCJS-UHFFFAOYSA-N 277.327 3.680 30 20 CHED N#Cc1c(F)cccc1NCCc1ccc2[nH]ccc2c1 440553665 IABLGBCWUKRESM-UHFFFAOYSA-N 279.318 3.833 30 20 CHED CC(C)(CC#N)CNC[C@@]1(C)C[C@@H]1c1ccccc1 602689239 ADBGEKZQQBPRLD-NVXWUHKLSA-N 256.393 3.710 30 20 CHED C=C(C)CCN[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 449472852 GICYVLUCSNOCJN-ZIAGYGMSSA-N 277.408 3.752 30 20 CHED C=CC[C@H](C)[C@H](C)NCC(C)(C)C1(O)CCCC1 449735213 GFNTUNHRADOYEG-KBPBESRZSA-N 253.430 3.508 30 20 CHED C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 539370197 XDZREXHWAJSNEZ-IINYFYTJSA-N 276.767 3.520 30 20 CHED CCCn1ccc2cc(NC(=O)N(CC)CCC#N)ccc21 267429903 GKXBFEGMXTXPMP-UHFFFAOYSA-N 298.390 3.819 30 20 CHED Cc1ccc(CSCCNc2cccnc2C#N)cc1 357313677 KTKLPWIUOIUHCF-UHFFFAOYSA-N 283.400 3.607 30 20 CHED C=CCC[C@H](NCc1nnc(C2CC2)o1)c1ccccc1 537156879 DBJBFJIWHFGZIU-HNNXBMFYSA-N 283.375 3.744 30 20 CHED Cc1ccc(C(=O)CCN(CCC#N)CCC(C)C)cc1 359857744 QOBMSGYAAGGSEP-UHFFFAOYSA-N 286.419 3.830 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1 354371987 QOPNMTMYIMWLNK-BLLLJJGKSA-N 288.366 3.738 30 20 CHED C[C@H](C(=O)N(CCC#N)CC1CC1)c1cccc(Cl)c1 266150473 QSSXDHLZEGKTMG-LBPRGKRZSA-N 290.794 3.596 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCCOc3ccccc32)CC1 355462842 YJJGIGSADROSNU-HNNXBMFYSA-N 285.387 3.763 30 20 CHED CN(C(=O)[C@H]1Cc2ccccc21)c1cc(Cl)ccc1C#N 359091033 VDZOJQKCJGHFSV-HNNXBMFYSA-N 296.757 3.514 30 20 CHED N#Cc1ccncc1NCC1(Cc2ccc(F)cc2)CC1 356788870 FBSUPTVVAXOMFN-UHFFFAOYSA-N 281.334 3.527 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)c1cccc(C#N)c1 610340223 GIQHZIQOOIUKBK-JTQLQIEISA-N 282.734 3.651 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3occc31)CC2 353429142 SGZISUHIPPELQW-SJORKVTESA-N 278.355 3.806 30 20 CHED Cc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cn1 611476031 CQDCJXPJRPQQHC-QGZVFWFLSA-N 263.344 3.751 30 20 CHED CCc1cnc(CN(CC(C)C)c2ccc(C#N)cc2)o1 533361157 PBWJZINYIAAZCX-UHFFFAOYSA-N 283.375 3.771 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 610010324 LBCNJVXRMHIGPF-XJKSGUPXSA-N 285.391 3.991 30 20 CHED CCC[C@@H](CC)N=c1c(C#N)c[nH]c2c(F)ccc(F)c12 610274551 CSHSCMHWEABDAO-LLVKDONJSA-N 289.329 3.797 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 451392614 JJKAWDZODHQQNX-PWCHPLFNSA-N 287.121 3.621 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 364057835 RGGQBLQVLFOJOK-MAUKXSAKSA-N 299.414 3.798 30 20 CHED C=CCC1(C(=O)N2CCc3ccc(C#N)cc32)CCCC1 450257493 LUJSFUSUTGGMHG-UHFFFAOYSA-N 280.371 3.584 30 20 CHED C=CCCNC(=O)C1(Cc2cccs2)CCCCC1 617618426 OXGNAKSLVJGEBC-UHFFFAOYSA-N 277.433 3.933 30 20 CHED CCC1(NC(=O)NCC(C)(C)CCC#N)CCCCC1 458757167 DNCBKSYTEBEARU-UHFFFAOYSA-N 279.428 3.728 30 20 CHED C=CCC[C@@H](CC)N[C@H](CC(=O)N(C)C)c1ccccc1 360165418 XZAZUDGHRGVMBI-IAGOWNOFSA-N 288.435 3.540 30 20 CHED N#Cc1ccc(CN2CC[C@H]2c2cccc(F)c2)s1 611274508 GRBHNKRTDQMIQS-HNNXBMFYSA-N 272.348 3.706 30 20 CHED CC[C@@H](C)CN(CC)C(=O)c1ccc(C(C)(C)C#N)cc1 279706146 AENHSLBIQVWZOS-CQSZACIVSA-N 286.419 3.996 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2cc(F)cc(F)c2)no1)OCC 273674825 HLGRNDYDZLEZDM-CYBMUJFWSA-N 294.301 3.539 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(CC#N)cc1Cl 452642637 HCVMJUHIKNIQOK-NSHDSACASA-N 276.767 3.947 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(C#N)c(Cl)c1 619766910 KWASYHLDGSFLOR-GHMZBOCLSA-N 278.783 3.510 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1NCc1ccccc1C#N 610657566 OOYYINDMXKKGPC-UHFFFAOYSA-N 281.315 3.695 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccnn1[C@H](C)CC(C)C 360511820 NUDIKXMLPVHCRT-QWHCGFSZSA-N 278.400 3.576 30 20 CHED Cc1c(O)nc(SCC2(C#N)CC2)nc1-c1ccccc1 545935229 MHGIVFCSWCFNRA-UHFFFAOYSA-N 297.383 3.554 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC2(CCCCC2)C1 458813112 RYMQQRBTQOETKF-UHFFFAOYSA-N 264.413 3.564 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)ccc1Cl 276066402 JJGMLCBHIYPVCA-UHFFFAOYSA-N 252.745 3.688 30 20 CHED N#CCC1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 362358664 KUOSQHAZAQDXJP-UHFFFAOYSA-N 299.252 3.719 30 20 CHED C[C@@H](NCC(C)(C)C1(O)CCCC1)c1cccc(C#N)c1 453388695 QUCOJCUCYRAFEY-CQSZACIVSA-N 286.419 3.540 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(CC)CC1 540570994 GLRLODLJVVJRFM-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1c(F)cccc1F 274339750 ODYHDXOWAVSIIS-MGPLVRAMSA-N 294.345 3.513 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 270364428 ZSRJJPFMGLKEMT-YOEHRIQHSA-N 284.403 3.793 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(F)c(C)c2)no1 278655091 ATHJQIWPNTWUCU-TZMCWYRMSA-N 288.322 3.633 30 20 CHED Cc1cccc(-c2noc(-c3cccc(CC#N)c3)n2)c1 546227511 LRTQSKQIKKFDPY-UHFFFAOYSA-N 275.311 3.778 30 20 CHED CC#CCCCC(=O)NC1CCC(C2CCC2)CC1 620472756 VNZCKFJOVJPOSU-UHFFFAOYSA-N 261.409 3.655 30 20 CHED C=C(C)CN1CCC(N[C@H](C2CCCC2)C2CC2)CC1 453102522 PTIFJJWWOXKSTI-GOSISDBHSA-N 276.468 3.585 30 20 CHED CC(C)CCCCC(=O)N[C@@H](C)c1ccc(C#N)cc1 457416890 HIBJWEVZIUFYAL-AWEZNQCLSA-N 272.392 3.952 30 20 CHED Cc1ccccc1O[C@@H]1CCCC[C@H]1NCCCC#N 361772571 YRYANISBQBFFTJ-NVXWUHKLSA-N 272.392 3.578 30 20 CHED Cc1nc(S[C@@H]2CC[C@H](C#N)C2)n(CC(C)C)c1C 278610205 RQMLWJUCCVQHLE-UONOGXRCSA-N 277.437 3.940 30 20 CHED C=CCOc1c(Cl)cc(CNCCC(=C)C)cc1OC 623538377 AVHCORXQSKDWMU-UHFFFAOYSA-N 295.810 3.969 30 20 CHED CC1(C)CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 543451595 FXOZZKYQRQIRTL-GFCCVEGCSA-N 276.767 3.520 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(F)cc1N(C)C 467416724 IYRWGOLAKBRKPO-TZMCWYRMSA-N 264.388 3.897 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2cc(C#N)oc2C)c1 280565005 GERGGDQRLHOKGV-LBPRGKRZSA-N 282.343 3.568 30 20 CHED C=CCCN(C)C(=O)c1cc2c(ccc3ccccc32)[nH]1 469882020 CEPFESBRWOTWNO-UHFFFAOYSA-N 278.355 3.969 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1/C=C/c1ccccc1 371602942 VFLWOHHGNXUFBJ-SXSDINLZSA-N 275.355 3.635 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 552154817 ZFILWWSYPCAUCK-GOEBONIOSA-N 276.424 3.745 30 20 CHED C=CCSCCNC(=O)Nc1cccc(C2CCC2)c1 463820061 CJOOVOMZDUZMSU-UHFFFAOYSA-N 290.432 3.995 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](CC)Oc1ccccc1C 466525406 HUPUBOKBMIYKKT-HUUCEWRRSA-N 275.392 3.623 30 20 CHED CC#CCCCC(=O)Nc1nc2c(F)c(F)ccc2s1 466877958 PIMOBMYYYOUJED-UHFFFAOYSA-N 294.326 3.707 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1C 465242997 PPXSWTVJZMKMQQ-KBPBESRZSA-N 271.364 3.567 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1C=CCCC1 466531435 QFINXUMOZCFDRG-MRXNPFEDSA-N 276.424 3.873 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1SC 281517683 BTDFMXAKBOCYHU-RYUDHWBXSA-N 278.421 3.733 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 464762438 VLKPMPDOILGIIJ-UWVGGRQHSA-N 286.297 3.640 30 20 CHED N#Cc1cc(NC[C@H]2CCCO[C@@H]2c2ccccc2)ccn1 283894495 VWYWAWVUTYZUIE-CRAIPNDOSA-N 293.370 3.533 30 20 CHED C=CCOCCCN1CCC[C@H]1CCc1ccccc1 470716491 MXFISXYOLNMVDU-SFHVURJKSA-N 273.420 3.676 30 20 CHED N#C[C@H]1CC[C@H](NC2CCC(c3ccccc3)CC2)C1 471596660 LQXFOAINRBFLCA-KUQKPQIMSA-N 268.404 3.995 30 20 CHED CC[C@@H](C#N)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 475670294 NNLOWHRLXLYOHQ-MFKMUULPSA-N 298.308 3.617 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccccc1Br 294414993 QKECYCOCBJOEAE-UHFFFAOYSA-N 296.208 3.620 30 20 CHED C#CCOc1ccccc1-c1noc([C@](C)(C=C)CC)n1 809397263 LYKJMXHMMUASKY-QGZVFWFLSA-N 282.343 3.602 30 20 CHED C#C[C@H](NCc1ccc(OC(F)F)c(Cl)c1)C(C)C 809685161 CDFZROLWXWXSCX-LBPRGKRZSA-N 287.737 3.689 30 20 CHED CC#CC(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 801186830 RVWZQUVJDRRHBL-UHFFFAOYSA-N 295.304 3.614 30 20 CHED CC(C)(C)CCC(=NN[C@@H]1CCSC1)c1cscn1 808001299 IZIFRHKNAPKJQZ-LLVKDONJSA-N 297.493 3.769 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@@H](C)C(C)(C)C 807991009 HLCPEQCOODMIJC-LLVKDONJSA-N 263.341 3.983 30 20 CHED C=CCC[C@@H](C)Nc1cccc(N(C)C(=O)NCC)c1 475513268 KJJFCMQAMWDIGR-CYBMUJFWSA-N 275.396 3.619 30 20 CHED CCC(=NN[C@@H]1CCSC1)c1ccc(Cl)cc1 808003576 PRPOAWHZGWFQLJ-GFCCVEGCSA-N 268.813 3.549 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@H](C(C)C)CC1 642699332 AOVKLWSLMVFKAT-HNNXBMFYSA-N 290.455 3.679 30 20 CHED CCC[C@@H](C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 299470435 BSVLINXMQKURRR-CHWSQXEVSA-N 258.365 3.562 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccccc2OC2CCCC2)C1 472140927 VTBDFPNQTHGYGY-HOCLYGCPSA-N 284.403 3.790 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)c1cccnc1 803834072 PGKRAEFXTDBVRF-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C#Cc1ccc(CNc2ccc(OC)c(OCC)c2)cc1 809596597 LFMBCGRAFCWCEN-UHFFFAOYSA-N 281.355 3.687 30 20 CHED C[C@@H]1CN(c2c(Cl)cccc2C#N)CCC1(F)F 291053831 DZAYPNZCFQBQOM-SECBINFHSA-N 270.710 3.693 30 20 CHED Cn1ccc2ccc(Nc3nc(Cl)c(C#N)s3)cc21 804645121 NOHLQLUEUUMFQS-UHFFFAOYSA-N 288.763 3.903 30 20 CHED Cc1c(C(=O)N[C@H]2C=CCCC2)sc2ccc(C#N)cc12 563682438 GRCVUOMVOPJOSE-ZDUSSCGKSA-N 296.395 3.920 30 20 CHED C[C@H]1CC(=NNc2ccc(C(=O)O)cc2)c2ccccc21 807940058 SSHLTPAIAZEJSB-NSHDSACASA-N 280.327 3.708 30 20 CHED C=C(CC)Cn1cnc(SCc2ccc(C)cc2)n1 478946447 IAQJZVXAYYFHGF-UHFFFAOYSA-N 273.405 3.845 30 20 CHED CSc1ccccc1[C@@H](C)/N=C\c1cccc(O)c1O 800721959 VCDHZLOVJFUEIX-VBYYMIJXSA-N 287.384 4.000 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](OC)c1ccccc1Cl 644678093 ZLOHKCVLAAJXKO-AWEZNQCLSA-N 295.810 3.746 30 20 CHED Cc1ccccc1-n1cc(/C=C/C(=O)C2CCCCC2)nn1 806571455 VWZSCVKPZPQKHC-VAWYXSNFSA-N 295.386 3.738 30 20 CHED c1cnc(C2CCC2)c(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)n1 807993988 KBOSBDOKEJRGEO-BARDWOONSA-N 296.418 3.968 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cccc(-c2cccs2)c1 806248180 XKIDKTNUNRFVMF-ZDUSSCGKSA-N 284.384 3.948 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc2ccc(C)nc12 488866561 MEEMMGIRGZBTSO-HNNXBMFYSA-N 280.371 3.724 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1cccc(F)c1 484934612 IGWGDCVTHMYLBO-UHFFFAOYSA-N 288.322 3.681 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](C)CCC(C)(C)C 810422216 HEHVCVPPAKRWGF-AWEZNQCLSA-N 271.404 3.541 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1ccccc1Cl 814765501 IDQAGOOJSSTUNO-VIFPVBQESA-N 273.710 3.729 30 20 CHED O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCCC[C@@H]1C1CC1 569107440 WGEWLVLEBGVGFQ-QZTJIDSGSA-N 299.389 3.510 30 20 CHED C[C@](C#N)(NC(=O)CCCC(F)(F)F)C1CCCCC1 560725727 IKVGYVZEOKNQTE-CYBMUJFWSA-N 290.329 3.698 30 20 CHED C#C[C@@H](NC(=O)CCCC1CC1)c1ccc(Cl)cc1 812578519 QRKBIFFURLBRJD-OAHLLOKOSA-N 275.779 3.711 30 20 CHED C#C[C@@H](NCc1cccc(F)c1)c1ccc(Cl)cc1 811516800 VIXDKNZDAPGGSL-MRXNPFEDSA-N 273.738 3.943 30 20 CHED Cc1ccc(OCCN(C)[C@H](C)c2cccc(C#N)c2)cc1 487557910 KVHAQFGGDHABFS-MRXNPFEDSA-N 294.398 3.939 30 20 CHED C=C(CC)CNC(=O)CCc1ccc(C)c(Cl)c1 654378376 NIRGWVWUAGLCQL-UHFFFAOYSA-N 265.784 3.663 30 20 CHED CCSCOc1c(C#N)cnc2ccc(C)cc12 814765560 KZFFJXRFCSWLMQ-UHFFFAOYSA-N 258.346 3.504 30 20 CHED c1ccc([C@@H]2CCC(=NNC[C@H]3CCSC3)C2)cc1 814935343 KUDMIBJHKINQAR-UKRRQHHQSA-N 274.433 3.653 30 20 CHED C[C@](C#N)(NC(=O)c1ccc(Cl)cc1)C1CCCCC1 575351421 PGDXMJMTKVKBDT-MRXNPFEDSA-N 290.794 3.932 30 20 CHED CC(C)(C#N)C(=O)OCc1cc(Cl)cc(Cl)c1 811087760 BLCVDGXHYYMVHB-UHFFFAOYSA-N 272.131 3.586 30 20 CHED CC#CCCCc1nc(-c2ccc3c(c2)CCC3)no1 578054699 GMKONNWRTXUBML-UHFFFAOYSA-N 266.344 3.571 30 20 CHED CCOCC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1Cl 570123385 JOPMWXCQEAPZNN-LBPRGKRZSA-N 294.826 3.925 30 20 CHED C1CCC2(C1)CCC(=NN[C@@H]1CCSC1)CC2 811650306 UXHQWABYQUXTIJ-CYBMUJFWSA-N 252.427 3.572 30 20 CHED C=CCC[C@H](O)CN[C@H]1CCCC[C@H]1Cc1ccccc1 481184477 CIXCZTWUXNGXQV-FHWLQOOXSA-N 287.447 3.705 30 20 CHED CCOC(=O)Nc1ccc(Nc2nc(C)ccc2C#N)cc1 495761751 IMLYDZKCWKNYKL-UHFFFAOYSA-N 296.330 3.574 30 20 CHED CC(C(=O)N[C@H](C#N)c1ccc(Cl)cc1)=C1CCC1 825751152 LNRSZSSJMNVQHI-CQSZACIVSA-N 274.751 3.521 30 20 CHED C(=NNCCCc1ccccc1)c1csc(C2CC2)n1 729145571 UYYAXCRWYWMAOP-UHFFFAOYSA-N 285.416 3.577 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCc2ccc(C)cc21 494847100 NVYYDQIYKQZSRS-QGZVFWFLSA-N 286.419 3.980 30 20 CHED C[C@@H](C1CC1)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 726457603 OTKFWPDPFLLPQX-VIFPVBQESA-N 293.823 3.639 30 20 CHED C=CCCNC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 661570657 QKWLDAQVDPQCSN-CQSZACIVSA-N 290.382 3.681 30 20 CHED C#Cc1cccc(NC(=S)NN=C2CCC[C@H](C)C2)c1 727260420 WFJHWGAOUFSFFL-LBPRGKRZSA-N 285.416 3.520 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)CCC#N)C1CCCCC1 588327725 RXVITWUFIQRPST-HNNXBMFYSA-N 293.455 3.974 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C)c1ccon1)c1ccccc1 490157384 HIDFJEDGKDJFFQ-ZFWWWQNUSA-N 284.359 3.602 30 20 CHED C=CC[C@H]1CCCN([C@H](C)c2nc(CCCC)no2)C1 661379553 ZORBMVDCOAYPDV-KGLIPLIRSA-N 277.412 3.761 30 20 CHED Fc1ccc(F)c(C=NNCCCc2ccccc2)c1 729146137 MWVLSYONMCKOJD-UHFFFAOYSA-N 274.314 3.521 30 20 CHED C#C[C@H](NCc1ccc(C)nc1)c1ccc(Cl)cc1F 491405177 HGIFCOVNNDEXCR-INIZCTEOSA-N 288.753 3.647 30 20 CHED C[C@@H]1CCN(C(=O)CCCCCC#N)[C@@H]2CCCC[C@H]12 588635038 PQBIOFFIFFAZAU-BZUAXINKSA-N 276.424 3.888 30 20 CHED C=CC[C@@H](CO)CN[C@H](CSc1ccccc1)C(C)C 495065695 KIUQOTNJYCZGEB-NVXWUHKLSA-N 293.476 3.578 30 20 CHED N#CCCC1CCN(Cc2ccccc2OC(F)F)CC1 580559410 FTMLFZHPJMUVLG-UHFFFAOYSA-N 294.345 3.804 30 20 CHED CC[C@@H](NCc1occc1C)c1cccc(C#N)c1 903000242 VXCRHEIFVXSEEU-OAHLLOKOSA-N 254.333 3.701 30 20 CHED CN(Cc1cccc2[nH]ccc12)c1ccc(F)cc1C#N 493679181 LXQLJCHMXHXBCH-UHFFFAOYSA-N 279.318 3.815 30 20 CHED Cc1nc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)[nH]c1C 901488803 HUDXSCPIKKAIPH-NCPSJORJSA-N 278.355 3.726 30 20 CHED CC(C)n1cncc1/C=C1\Cc2ccc(Cl)cc2C1=O 901491755 VODMGKMFWFHPCA-WUXMJOGZSA-N 286.762 3.940 30 20 CHED Cc1ccc(-c2ccccc2C=NN[C@H]2CCOC2)c(C)c1 901231213 FSCIHVQFWLSTML-KRWDZBQOSA-N 294.398 3.683 30 20 CHED C=CCCC1(CN[C@@H]2CC[C@@H](CC(=O)O)[C@@H]2C)CCCC1 902424281 ULLKSDYTBPIDBN-HRCADAONSA-N 293.451 3.992 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1ccc(C#N)c(Cl)c1 906088495 DVCIRQFCMAAANA-LLVKDONJSA-N 276.767 3.777 30 20 CHED CC1CCC(=CC(=O)Oc2ccc(C#N)cc2)CC1 734098701 KLHXTEKHIVKXNL-UHFFFAOYSA-N 255.317 3.600 30 20 CHED Cc1ncc(/C=C/C(=O)O[C@@H](C)c2cccc(C#N)c2)s1 732902491 HKRCYHCHMHEACT-MLRMMBSGSA-N 298.367 3.641 30 20 CHED CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C#CC1CC1 837446605 ANPFNPSDTIYTMP-QGZVFWFLSA-N 299.414 3.702 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)Oc2ccc(F)cc21 730729158 FNXLZIXFQJBJRX-AWNIVKPZSA-N 276.213 3.720 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C)ccc2OC)C1 665158383 GGMLBXORZYLLLJ-AWEZNQCLSA-N 288.391 3.824 30 20 CHED C=C(Cl)CN(C)Cc1ccc(OC)c(Cl)c1 839660402 DZGWTSMWUDNAJB-UHFFFAOYSA-N 260.164 3.533 30 20 CHED C=C(Cl)CN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 839617492 NXSYIQIGVCAHCA-LBPRGKRZSA-N 294.609 3.543 30 20 CHED C=CCCCN(c1ccc(N2CCOCC2)cc1)C(C)C 735490758 PXOHZOIPRRPVJD-UHFFFAOYSA-N 288.435 3.704 30 20 CHED C=CC(C)(C)COC(=O)c1ccc2oc(C)nc2c1 835722923 KDNYLEXHGBUMAU-UHFFFAOYSA-N 259.305 3.505 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc(C(=O)O)cc1 832259465 USBWGGYKSLXEDE-HJWRWDBZSA-N 296.322 3.598 30 20 CHED CCCCC(CC)=NNCCc1ccc(OC)cc1 737440813 QRXVVTZSPZKWSP-UHFFFAOYSA-N 262.397 3.784 30 20 CHED COc1ccc2c(c1)[C@@H](NCC1(C#N)CCC1)CCS2 903033303 SNNBUDFZGDRKOK-AWEZNQCLSA-N 288.416 3.516 30 20 CHED N#CCCCCCc1nc(CCCc2ccccc2)no1 588320754 XAFCIOOERYHEIY-UHFFFAOYSA-N 283.375 3.871 30 20 CHED CCOCc1cccc(NC(=O)CCCCCC#N)c1 588155992 LMWSSRCPVCNIRM-UHFFFAOYSA-N 274.364 3.636 30 20 CHED C#CCOc1cccc(NC(=O)NC[C@H](C)C(C)(C)C)c1 734650577 RVQFRNVJEHRWPB-ZDUSSCGKSA-N 288.391 3.502 30 20 CHED CCC1(C)CCC(=NN[C@H](C)C(F)(F)F)CC1 835001425 OGZXELDZOARIIL-BFHBGLAWSA-N 250.308 3.873 30 20 CHED CC1(C)CCCN(Cc2cc(F)c(F)c(F)c2)[C@@H]1C#N 580753990 ZNBSDQIGVRWAQY-CYBMUJFWSA-N 282.309 3.618 30 20 CHED O=C(O)c1ccc(NN=C2CCCC23CCC3)cc1F 835009132 OKKGGPCASKVUJT-UHFFFAOYSA-N 276.311 3.646 30 20 CHED CC(C)c1ncsc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839061665 FTVBKFDPVUNYPA-WDEREUQCSA-N 278.377 3.506 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1c(F)cccc1[N+](=O)[O-] 588035731 OCLTXERWSNQAHZ-CQSZACIVSA-N 297.289 3.705 30 20 CHED C=C(C)CNC(=S)N1CCCCC[C@H]1c1ccco1 736450224 NIOJGLFMVALRSI-ZDUSSCGKSA-N 278.421 3.647 30 20 CHED C=C(CNC(=O)c1cc(F)ccc1C)c1ccccc1 672481259 PHUGOBUOZBUKAX-UHFFFAOYSA-N 269.319 3.577 30 20 CHED C[C@@H](OC(=O)[C@H](C)C1CCC1)c1cccc(C#N)c1 838390047 VVEGIPAMAGYGED-VXGBXAGGSA-N 257.333 3.599 30 20 CHED CSCCON=C(C)c1c(C)oc2ccccc12 834975406 KAKBGIPHRBQMRL-UHFFFAOYSA-N 263.362 3.845 30 20 CHED N#Cc1ccc(CCN[C@H]2CCc3ccc(F)cc32)cc1 594712255 UJXLIBAJRPIFLZ-SFHVURJKSA-N 280.346 3.517 30 20 CHED CC(=NN[C@@H]1CCSC1)c1c(C)oc2ccccc12 834978761 CLHWFYVLPIETKS-GFCCVEGCSA-N 274.389 3.560 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H](CC#N)C1 595510328 ASRCLSQLUVGJSS-KGLIPLIRSA-N 279.428 3.536 30 20 CHED C=CCC[C@@H](C)OC(=O)c1cccc(C(F)(F)F)n1 835266834 DFMSODQOLQPCHH-SECBINFHSA-N 273.254 3.612 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCc2cc(C#N)ccc21 592641879 KGEVYKQGDJCLTA-LSDHHAIUSA-N 282.387 3.520 30 20 CHED C=CCC[C@H](NCCC1(CSC)CC1)C1CC1 595071704 ROYLWQHHVYYYCG-AWEZNQCLSA-N 253.455 3.854 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H](C)c2ccco2)c1C#N 741554382 HWVXEOJUOZRQEE-VIFPVBQESA-N 288.372 3.826 30 20 CHED C=CCC1(CNC(=N)Nc2cccc(OC)c2)CCCC1 849038865 YDFSGAQJFCSULX-UHFFFAOYSA-N 287.407 3.768 30 20 CHED O=C(/C=C\c1csnn1)c1ccc2c3c(cccc13)CC2 915987829 LFOWQSSUOIFMDI-CLFYSBASSA-N 292.363 3.686 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(C#N)c(F)c1 595061049 XPUNKQPEHDTAPW-GFCCVEGCSA-N 278.396 3.657 30 20 CHED C=C[C@H](C)ONC(=O)[C@@H](C)c1c(Cl)cccc1Cl 846548085 CYWLOCJSEFWZMV-IUCAKERBSA-N 288.174 3.719 30 20 CHED C[C@H]1CCCC(=NNc2nc3cc(F)c(F)cc3[nH]2)C1 912825308 QWOQLUUAJRXBKQ-QMMMGPOBSA-N 278.306 3.819 30 20 CHED CCSCC[C@@H](C)N(C)c1nc(C#N)c(Cl)s1 590583147 DVFFSHRHYJAZDO-MRVPVSSYSA-N 289.857 3.636 30 20 CHED C[C@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 748677060 HQMXWTYILSEQOV-MZGVZZPPSA-N 269.344 3.599 30 20 CHED C=C(Cl)COC(=O)CCc1c[nH]c2c(C)cccc12 745137697 YSALGBRNXCQITM-UHFFFAOYSA-N 277.751 3.705 30 20 CHED c1ccc(C(CC2CC2)=NOCc2cccnc2)cc1 746587729 QWPCNGLIESXOJG-UHFFFAOYSA-N 266.344 3.803 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(Cl)c1)C1CCC1 590653541 GGAKWZDVOFYYLB-OAHLLOKOSA-N 262.784 3.880 30 20 CHED CC(=NOCc1ccccc1)c1cnn(-c2ccccc2)c1 746490352 UQRZIULUJKMVGS-UHFFFAOYSA-N 291.354 3.813 30 20 CHED CCCCCCCCN1CCC(NC(=O)C(C)C)CC1 740874882 OWUXYANEMRMGCZ-UHFFFAOYSA-N 282.472 3.584 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(C)s1 917022684 QWSPPWTXDNTVMF-UHFFFAOYSA-N 274.345 3.591 30 20 CHED CCC(=NNc1ccnc(Br)c1)[C@H]1C[C@H]1C 841632125 MPKYXGMRCIGJJB-SCZZXKLOSA-N 282.185 3.678 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(C)cc2ccccc12 593735337 VKEGMAVLITYTHS-GFCCVEGCSA-N 252.317 3.637 30 20 CHED C[C@H](CCc1ccc2c(c1)OCO2)/N=C/c1ccccc1O 745625187 UEZPZDWYPYBSIC-OTGIAGGSSA-N 297.354 3.561 30 20 CHED CCCn1ncc(Nc2cccc(F)c2C#N)c1C1CC1 590710458 MYCKCVIZXJRHQF-UHFFFAOYSA-N 284.338 3.925 30 20 CHED Fc1cc(Br)cc(CON=C2CCC2)c1F 844764100 IHFBHSVUHLHWTN-UHFFFAOYSA-N 290.107 3.784 30 20 CHED C[C@H]1CN(c2nc(C#N)c(Cl)s2)[C@@H]1c1ccccc1 596144013 ZQWVPLLOMSQVFC-CABZTGNLSA-N 289.791 3.866 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)c1cc(OC)ccc1O 845972495 QXYNCYXAHPDDPW-STQMWFEESA-N 263.381 3.796 30 20 CHED CC(C)c1cccc(N(CCO)CCCC(C)(C)C#N)c1 593048670 HKWMEINGWTWHGW-UHFFFAOYSA-N 288.435 3.939 30 20 CHED C[C@@H]1CC(=NNc2ccc(CC(=O)O)cc2)C[C@@H](C)C1 848414935 GCPHBAIVODFEAH-RYUDHWBXSA-N 274.364 3.538 30 20 CHED CC[C@@H](OCCON=C1CCCOCC1)c1ccccc1 844766786 PKVSTELQDULWEG-QGZVFWFLSA-N 291.391 3.727 30 20 CHED Cc1cc(C)cc([C@@H](NCC(C)(C)C#N)c2cccnc2)c1 926872799 AYNAHZAKUQYHCI-SFHVURJKSA-N 293.414 3.927 30 20 CHED CC(C)(C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 759354044 LQORIYNNABYPBQ-UHFFFAOYSA-N 297.329 3.718 30 20 CHED C=CC[C@H](C)NC(=O)/C(C)=C/c1ccccc1Cl 755903030 LOAYJXVCGBLKMW-IIANPFDCSA-N 263.768 3.824 30 20 CHED C=CCCOCc1nc(C(C)(C)Cc2ccccc2)no1 683606134 ZQGWOYIQCHXESI-UHFFFAOYSA-N 286.375 3.683 30 20 CHED FC(F)CON=Cc1ccc(Oc2ccccc2)o1 758898973 BLFLZMQENYLLMP-UHFFFAOYSA-N 267.231 3.688 30 20 CHED C=CCC1(NC[C@@H](O)c2cc3ccccc3o2)CCCC1 852587723 DIXLEOPNBWLBCI-OAHLLOKOSA-N 285.387 3.945 30 20 CHED CCc1nc(C#N)cc(S[C@H](C)c2cccs2)n1 853362773 YCHQDMOEFNPUJE-SECBINFHSA-N 275.402 3.825 30 20 CHED Oc1ccccc1C=Nc1nc2cccc(Cl)c2[nH]1 755031994 PIWZRONXXUUVMA-UHFFFAOYSA-N 271.707 3.673 30 20 CHED C(=NNC1CC1)c1cn(Cc2ccccc2)c2ccccc12 758133364 MUWCZPMDUADAFJ-UHFFFAOYSA-N 289.382 3.776 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2ccc(C)c(F)c2)[C@H]1C 853438701 KOVAWXOIOXOONP-NWDGAFQWSA-N 292.354 3.511 30 20 CHED C[C@@H]1CC=CC[C@H]1COC(=O)c1ccc(CC#N)cc1 759752840 OPEPQHAMMULCOZ-CJNGLKHVSA-N 269.344 3.512 30 20 CHED N#C[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)C1CC1 751176786 KVVLEUIKVNROII-CYBMUJFWSA-N 289.400 3.866 30 20 CHED C#CCOc1ccc(-c2nc3ccccc3n2CC)cc1 921068262 SJFRVZFEFUYIFG-UHFFFAOYSA-N 276.339 3.735 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 920789023 MZDKNIAPALORJH-MGPQQGTHSA-N 295.386 3.956 30 20 CHED Fc1ccc(NN=Cc2cc(F)cc(F)c2)cc1 755472647 YNAQXIDYCRWBRJ-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CCCn1nccc1/C=C1\Cc2ccc(Cl)cc2C1=O 853006632 HPZPZTPYOGMHQB-FMIVXFBMSA-N 286.762 3.769 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1cc(F)ccc1F 757473646 FMMICMUAUSKENE-ZZXKWVIFSA-N 279.673 3.909 30 20 CHED O=[N+]([O-])c1cc(C=NNc2cccc(F)c2)ccc1Cl 920384539 WQFOFSVJUNHRIR-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C=CCn1c(Sc2nc(Cl)cs2)nnc1C1CC1 858331731 BRSPWRJDWSZVPE-UHFFFAOYSA-N 298.824 3.603 30 20 CHED Cc1cccc([C@H](C)C(=O)OCc2ccc(F)c(C#N)c2)c1 758953111 WKCOLXQRGWCYJU-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED CC(=NOC1CCCC1)c1ccc(C(F)F)nc1 853328816 XVEIIFQBUUVVSV-UHFFFAOYSA-N 254.280 3.702 30 20 CHED CCCCCCCNC(=O)N1CC[C@H](c2cccnc2)C1 858114773 SKCNMRILRSKFEH-INIZCTEOSA-N 289.423 3.551 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)cn1 850463774 YDGDEKWHOPLOON-MRXNPFEDSA-N 299.805 3.718 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1cc(F)cc(Cl)c1 853396144 XQZLXHAQHNDXMS-UHFFFAOYSA-N 298.745 3.912 30 20 CHED Fc1cc(F)c(NN=Cc2nc(Cl)cs2)cc1F 758110248 MTVUMKDLWCNKFS-UHFFFAOYSA-N 291.685 3.660 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(Cl)cc1Cl 752973923 IKALFHADQVDVQR-SECBINFHSA-N 271.147 3.527 30 20 CHED C#CC[C@H](NC(=O)Nc1ccc(OC)cc1)c1ccccc1 756921376 JJTSWTSXTHUSPT-KRWDZBQOSA-N 294.354 3.581 30 20 CHED C=C[C@@H](CC(=O)n1ccccc1=NC(C)C)c1ccccc1 759781053 RWRPCEPHHMCTSF-INIZCTEOSA-N 294.398 3.797 30 20 CHED Cc1cc(COC(=O)c2ccc(C#N)s2)c(C)s1 750394249 DNQZGDNXBSIEHT-UHFFFAOYSA-N 277.370 3.655 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cncc(Cl)c2)C1 932126391 GRDZGXHXRGMOSW-LLVKDONJSA-N 279.771 3.555 30 20 CHED N#CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1 863899647 PSNSSMALKVZDAN-BZUAXINKSA-N 294.354 3.544 30 20 CHED CO[C@H](C)C(C)=NNC(=S)Nc1ccc(C(C)C)cc1 763125272 JPMYEPVEKRMQHN-GFCCVEGCSA-N 293.436 3.507 30 20 CHED Cc1cccc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)c1 768253025 VLAIJHUFURMKSQ-MRXNPFEDSA-N 294.398 3.918 30 20 CHED CCOc1cccc(/C=N/C2CCC(F)(F)CC2)c1O 761181090 NBUQKVYLPJIVIW-VCHYOVAHSA-N 283.318 3.788 30 20 CHED COc1ccccc1N1CCC(=NNc2ccccc2)CC1 760218706 PGQBCAVHSQHTHS-UHFFFAOYSA-N 295.386 3.764 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 860825561 KWEFOOZTIRQUDA-PQEBFOHHSA-N 283.371 3.724 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)CCc1cccc2ccccc12 866385999 VJYNIKUSXFPGPS-QGZVFWFLSA-N 294.398 3.827 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@@H]1CC12CCC2 768041801 ZAVZTMIZNAFBPD-HNNXBMFYSA-N 283.371 3.721 30 20 CHED C=CCC[C@H](NCc1cc(C)[nH]n1)c1ccccc1 1116488290 QQXGKEJRSWSTIW-INIZCTEOSA-N 255.365 3.515 30 20 CHED CC(C)N(Cc1ccccc1)C(=O)c1csc(C#N)c1 1117740570 POGGNUCZIXWJOH-UHFFFAOYSA-N 284.384 3.671 30 20 CHED O=C(O)c1cccc(/C=C2/Cc3cc(Cl)ccc3C2=O)c1 774131674 RERKXEMBSGURBZ-QPEQYQDCSA-N 298.725 3.861 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cc1 776727339 WIPZKGMQPYFAMK-YHYXMXQVSA-N 294.329 3.659 30 20 CHED CC(=NOCCC(F)(F)F)c1csc(C(C)C)n1 777455225 AUCBVQHATGHYKU-UHFFFAOYSA-N 280.315 3.960 30 20 CHED C[C@H]1CC(=NN=c2cc[nH]cc2)C[C@@H](c2ccccc2)C1 779808095 CJXOXJBNRQMTLF-ZBFHGGJFSA-N 279.387 3.875 30 20 CHED N#Cc1cccc(-c2nnc(-c3cc(F)cc(F)c3)o2)c1 1117232113 WKMOIWLANUZJHE-UHFFFAOYSA-N 283.237 3.553 30 20 CHED C=CC[C@@H](C(=O)OCc1cscn1)c1ccccc1 778418299 LWGOFSOCBVYSLP-CQSZACIVSA-N 273.357 3.546 30 20 CHED Cc1cccc2sc(NN=C[C@@H](C)CCC#N)nc12 872419629 PGZULBCXKYYBIL-JTQLQIEISA-N 272.377 3.942 30 20 CHED COC(=O)c1ccccc1NN=Cc1cc(C)sc1C 776187450 OIXQDHRPWJJLTK-UHFFFAOYSA-N 288.372 3.598 30 20 CHED C=CCCCC[C@@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 775634932 ZVXTZOBOPUPLIS-HUUCEWRRSA-N 296.455 3.720 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(C#N)cc1F)C1CC1 1120600819 HRGSUGSJQNKLPL-NEPJUHHUSA-N 288.366 3.737 30 20 CHED C#CCOc1ccccc1NCc1nc2c(s1)CCCC2 775360856 MXIMJJKZZWJDTC-UHFFFAOYSA-N 298.411 3.646 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@@H](O)c1cccc(F)c1 770389764 XCCSZOMBBRLYDI-SUMWQHHRSA-N 295.398 3.724 30 20 CHED Cc1nc(C#N)cc(SCc2ccc(C)c(C)c2)n1 882085659 POGGMTBTUNUORE-UHFFFAOYSA-N 269.373 3.566 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 880297850 USFPNBVNLZKWGC-HOCLYGCPSA-N 287.403 3.517 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(N3CCCCC3)c(F)c2)C1 883372010 IHIQALCVVYXDKJ-UONOGXRCSA-N 287.382 3.920 30 20 CHED CCc1oc2ccccc2c1C(=O)N(CC)[C@H](C#N)CC 1121160154 DGWUDTGASVQICO-LBPRGKRZSA-N 284.359 3.759 30 20 CHED C#CCOc1ccc(CNC[C@@H](SC)C(C)(C)C)cc1 784625494 FWMGFAVTSXNHOZ-MRXNPFEDSA-N 291.460 3.566 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)C[C@@H](C)O)cc1 783535554 FWZOYLGAXKTHJJ-MCIONIFRSA-N 297.826 3.628 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccc2c(=O)[nH]ccc2c1 789075882 DMGNSFBOBVLIPN-NSHDSACASA-N 283.375 3.752 30 20 CHED C[C@H]1CCC[C@H](C(=O)O[C@@H](C)c2cccc(C#N)c2)C1 1127021756 YHWVKYGLFXPWFS-XEZPLFJOSA-N 271.360 3.989 30 20 CHED CC#CC(=O)Nc1nc2ccccc2n1C1CCCCC1 788283940 QBHBQPCFNHAHFT-UHFFFAOYSA-N 281.359 3.503 30 20 CHED COc1ccc2nc(/C=C/C(=O)c3ccco3)sc2c1 788733357 VQXOHWALQCCSHT-VOTSOKGWSA-N 285.324 3.794 30 20 CHED Fc1cccc(Cl)c1NN=C[C@H]1CCSC1 782272870 XPKYRKBZDGNOOM-MRVPVSSYSA-N 258.749 3.630 30 20 CHED C=CC[C@@H](N[C@@H](C)CSCCC)c1ccncc1 892973647 UFSBDQBBKACNNI-DZGCQCFKSA-N 264.438 3.820 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)c(F)cc1F)c1cccs1 1132690493 ZQSGUHZHEZWEKL-MRVPVSSYSA-N 292.310 3.640 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H]1CC[C@H](CC)CC1 784528200 BGUKCRPDZSCSBW-SHTZXODSSA-N 285.387 3.854 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccccc1CC 782440966 YEWLARLJJMNNDP-KRWDZBQOSA-N 276.376 3.521 30 20 CHED Clc1ccsc1C=NNc1cnnc2ccccc12 782229833 CEKIMCDNWNYMAZ-UHFFFAOYSA-N 288.763 3.791 30 20 CHED N#Cc1cc(C(=O)OCc2ccc(Cl)cc2)ccc1F 788123341 GOMDFOJFUFNLDK-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CC[C@H]1CC[C@H](C(=O)OCc2ccc(C#N)cc2)CC1 782399870 CPRSUOHGPWWRFO-SAZUREKKSA-N 271.360 3.818 30 20 CHED c1ccc([C@H]2CCCC2=NNCCc2ccccn2)cc1 789125438 YFERGYUHHGDYPJ-QGZVFWFLSA-N 279.387 3.537 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccc(Cl)cn1 786643829 JXVWGRLQXPNLOL-HZMBPMFUSA-N 267.756 3.942 30 20 CHED C=CC(C)(C)Cc1nc(COc2ccccc2F)no1 896351047 JKTZNTGCNWJHNL-UHFFFAOYSA-N 276.311 3.542 30 20 CHED C[C@H](NN=Cc1cccc2cccnc12)C(C)(C)C 793115099 KIFNDJAJYODORH-LBPRGKRZSA-N 255.365 3.593 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1cc(OC)c(C#N)cc1F 1131704936 PSZUWWFSQBKFDX-MRXNPFEDSA-N 292.354 3.861 30 20 CHED Cc1ccnc2ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc12 797270192 SSMGHGJXDDXKAI-OAHLLOKOSA-N 282.343 3.638 30 20 CHED CC[C@@H]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 1137324887 LLDGVQJRJZDYKS-SECBINFHSA-N 297.185 3.737 30 20 CHED CC(=NN=C1CCC[C@@H](CC(C)C)C1)c1cnccn1 794513189 HSFYCOGFFLYWGJ-AWEZNQCLSA-N 272.396 3.878 30 20 CHED C#CCCNc1cnn(-c2ccc(C)cc2)c1C(C)C 790311155 APMLDSGPGKSSPO-UHFFFAOYSA-N 267.376 3.739 30 20 CHED CC(=NOC[C@H]1CCOC1)[C@@H](C)c1ccc(Cl)cc1 794536424 WACHYEXRUQRPBI-YPMHNXCESA-N 281.783 3.873 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)C(C)C 799046341 FQLDLSKNPHXSHK-OAHLLOKOSA-N 291.822 3.683 30 20 CHED CC[C@@H](C)NN=Cc1ccc(OC)c2ccccc12 790182855 MPBXOCRVQPFTFQ-GFCCVEGCSA-N 256.349 3.570 30 20 CHED CCN(CCc1ccccc1)C(=O)c1ccc(C)c(C#N)c1 799304950 NBZRPFKBKRXISS-UHFFFAOYSA-N 292.382 3.572 30 20 CHED Cc1cnn(C)c1/C=C1/COc2ccc(C(C)C)cc2C1=O 794697400 DXJOPIWWWSFJNN-ZSOIEALJSA-N 296.370 3.511 30 20 CHED C=CCN(C(=O)c1ccc(C)c(C#N)c1)c1ccccc1 799302628 SFHGGZMYNYURGZ-UHFFFAOYSA-N 276.339 3.700 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccccc1C#N 799498937 FYOHGJFFCLDKIC-CMDGGOBGSA-N 279.343 3.540 30 20 CHED C/C(=C/Cl)CSc1ccc(Cl)c(C#N)n1 797829478 LONPBBNMVNKHIO-DAXSKMNVSA-N 259.161 3.841 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C[C@@]2(C)CCCS2)o1 792994380 BIJFJJDQGOSPIB-CQSZACIVSA-N 292.408 3.527 30 20 CHED C=C(Cl)COC(=O)C1(C(F)(F)F)CCCCC1 1350087000 WEXFKLNPOBYQSZ-UHFFFAOYSA-N 270.678 3.795 30 20 CHED Cc1ccc2sc(N(C)CC(C)(C)C#N)nc2c1C 1163377694 KFFVRXONKSPDRO-UHFFFAOYSA-N 273.405 3.899 30 20 CHED CCN(CCc1ccccc1)[C@H](C#N)c1ccccc1 1307416745 PFDVWKVJRXPZLX-GOSISDBHSA-N 264.372 3.816 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(C)c(C)c1 83492937 DOCPWJWYMIZOFN-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C[C@@H](CCNc1cnccc1C#N)c1ccccc1 135605808 KFXHUMMJWZXGHM-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)CC#Cc1ccccc1 1325309990 OSQQLCWYJLOAIG-UHFFFAOYSA-N 271.404 3.617 30 20 CHED Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC(C)(C)CC#N 1325573332 GPULLHSZWQXRIS-CHWSQXEVSA-N 272.392 3.778 30 20 CHED CC(C)(C)C1CCC(CNc2cncc(C#N)n2)CC1 1185701840 NTBYHHFIJPHLKJ-UHFFFAOYSA-N 272.396 3.613 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1ccc(CC#N)cc1 195206228 OMYYRVWMMMLCIB-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CCCc1occc1C(=O)OCc1ccc(C#N)s1 1329978110 OLSOMBRPFPKFMJ-UHFFFAOYSA-N 275.329 3.522 30 20 CHED CCc1sc(C(=O)N2CCC(CCC#N)CC2)cc1C 569225049 LAFPLDIYTWFMLV-UHFFFAOYSA-N 290.432 3.775 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1332594210 KZNXUAQERPJZCH-SMDDNHRTSA-N 294.370 3.718 30 20 CHED C=CCCOCCNc1cc(C)c([N+](=O)[O-])cc1Cl 756950301 QHSZNZRVSGHJRO-UHFFFAOYSA-N 284.743 3.561 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)OCC1(C#N)CCC1 1330822354 FBADDGCFSIZVJX-ZDUSSCGKSA-N 263.381 3.830 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(C)cnn1-c1ccccc1 1335222125 CQLFJTZKKYOOMV-AWEZNQCLSA-N 283.375 3.722 30 20 CHED C#CCCCOc1cccnc1NCC1CCC(C#N)CC1 1333722761 RUEYTWULYRHVGN-UHFFFAOYSA-N 297.402 3.616 30 20 CHED C#Cc1ccc(N[C@@H](C)c2ccc(OC)c(OC)c2C)nc1 1337876650 QIMZNBHMBGNNCB-ZDUSSCGKSA-N 296.370 3.562 30 20 CHED CC(C)n1ncc2c1[C@H](N[C@@H](C)CC(C)(C)C#N)CCC2 1332880202 FMXAQLIEEPOADY-DZGCQCFKSA-N 288.439 3.759 30 20 CHED O=C(CC#Cc1ccccc1)OCC[C@@H]1CC1(Cl)Cl 1261440988 YLLVZFVXIDSBTN-CYBMUJFWSA-N 297.181 3.555 30 20 CHED C[C@@H]1CC=C(c2nnc(COc3ccccc3C#N)o2)CC1 1349964939 PCSXAEMADZDQST-GFCCVEGCSA-N 295.342 3.724 30 20 CHED Fc1ccc(CNN=Cc2cc3cc(F)ccc3o2)cc1 1340495685 WDNNDBQGWNVMCV-UHFFFAOYSA-N 286.281 3.835 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H]1CCSc2ccccc21 1344588849 VKRYKBSUEKPDPD-LLVKDONJSA-N 284.327 3.978 30 20 CHED CC(C)Cc1ccccc1C(=O)[C@H](C#N)c1cccc(F)n1 1343352146 RSZUFXQUMLKDCW-OAHLLOKOSA-N 296.345 3.909 30 20 CHED CC(C)CCCCCC(=O)[C@@H](C#N)c1ncc(Cl)n1C 1344322371 MXSRFCQWTJCJPX-GFCCVEGCSA-N 295.814 3.856 30 20 CHED CC[C@@H](C)[C@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1348882831 PVQPRTWFKNTLKZ-MNOVXSKESA-N 255.321 3.758 30 20 CHED N#CC[C@H](OC(=O)C1(c2ccccc2)CCC1)c1ccco1 1347948974 ODTUMVGVXZZZAC-INIZCTEOSA-N 295.338 3.899 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)c1ccccc1F 1459705601 CANKIASYDVQENP-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@@H](CC#N)c2ccccc2)[C@@H]1C 1525767054 SVIMHVJTZILFPS-JHNDHUHGSA-N 284.403 3.625 30 20 CHED CC(C)CCc1ccc(Nc2cncc(C#N)n2)cc1 1458138302 HMOFOVPLBKDUBO-UHFFFAOYSA-N 266.348 3.680 30 20 CHED CC[C@@H](Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)O 1605105552 BRZGRVJNJBKLQL-IAGOWNOFSA-N 294.354 3.617 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C)C[C@@H]2C)cc1C#N 1530244716 AYYYBCYAMPKDQF-PVXIVEMSSA-N 271.360 3.848 30 20 CHED N#Cc1ccc(CNCc2cc3ccncc3s2)cc1F 1474579542 IACNOSXMBWNREC-UHFFFAOYSA-N 297.358 3.597 30 20 CHED COc1cc(COc2cccc(C#N)c2)ccc1Cl 1613424316 XJKXRKLEWWSMIB-UHFFFAOYSA-N 273.719 3.799 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@@H](c3ccccc3)C2)C1 1474591358 GYRIQROZXRJIPT-RKTXRCNFSA-N 254.377 3.605 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N(CC)C[C@@H](C)C#N 1543049614 PPUYBZHZOKZPFI-RDJZCZTQSA-N 286.419 3.572 30 20 CHED Cc1cccc(C)c1CCNC(=O)Nc1sccc1C#N 1626073640 BPARIEWEBZTAFQ-UHFFFAOYSA-N 299.399 3.601 30 20 CHED Cc1cccc([C@@H]2CCN(c3cccc(F)c3C#N)C2)c1 1559163920 LOZPJRIXTFMIDW-OAHLLOKOSA-N 280.346 4.000 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2C[C@H](C)C[C@@H](C)C2)c1 1562939398 HMWMRBTUHCDDCH-VXGBXAGGSA-N 285.391 3.813 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C)c(C)c1C(=O)O 1573347584 MNIAVAZAAFSDNA-UHFFFAOYSA-N 275.348 3.542 30 20 CHED C=C(Br)CN[C@]1(c2ccccc2)CC1(C)C 1643970676 OJDYOTGFHXUHPM-AWEZNQCLSA-N 280.209 3.810 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1-c1nccs1 1675624057 ISOWAEFAHHQNOU-UHFFFAOYSA-N 293.779 3.684 30 20 CHED CC#CCS[C@H](C)c1nc(-c2cccs2)no1 166637132 KPPVATGDXJRINJ-SECBINFHSA-N 264.375 3.616 30 20 CHED C[C@H]1CCCCN1C(=O)N[C@H](CCC#N)c1ccccc1 151327930 BGJXPUIANJJVJR-GOEBONIOSA-N 285.391 3.615 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2ccc(F)c(C#N)c2)c1 151511638 INUQHXWXCHKCJL-GFCCVEGCSA-N 282.318 3.748 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 157590828 VPQHYZIRHCIWCX-UHFFFAOYSA-N 290.794 3.864 30 20 CHED CCOc1cccc(NC(=O)Nc2ccc(F)cc2C#N)c1 156148287 ZWBYFPQRQKUPPC-UHFFFAOYSA-N 299.305 3.740 30 20 CHED C=CC1CCN(C(=O)CCCSC(C)(C)C)CC1 154186550 SRNQGNLYFVEUBC-UHFFFAOYSA-N 269.454 3.723 30 20 CHED CCC1CCC(CNc2nc(C)ccc2C#N)CC1 110521509 LCQVBTMCQAXLIE-UHFFFAOYSA-N 257.381 3.890 30 20 CHED COc1ccc(CN[C@@H]2CCC[C@@H](C)CC2)cc1C#N 227310194 IWUMRLPKKMJPOS-CZUORRHYSA-N 272.392 3.625 30 20 CHED N#Cc1cc(CN2CCC[C@H]3CCCC[C@@H]32)ccc1F 229747923 XLFLWWGPJWKZSO-PBHICJAKSA-N 272.367 3.852 30 20 CHED CCc1ccccc1NCc1ccc(C#N)c(OC)c1 234152586 NUSTZTYBUBDJOA-UHFFFAOYSA-N 266.344 3.741 30 20 CHED COC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CCC1 167480735 JOAOLXIRQFHMMR-UHFFFAOYSA-N 284.281 3.558 30 20 CHED C[C@H](NCc1ccc(F)cc1F)c1ccc(C#N)cc1 35256323 FSCFFWSREGPGFZ-NSHDSACASA-N 272.298 3.687 30 20 CHED CC(C)(C#N)CNC(=O)Nc1cccc2ccccc12 167022530 DLPREVWDDNNTGD-UHFFFAOYSA-N 267.332 3.511 30 20 CHED Cc1cc(C(=O)N(C)Cc2cccc(C#N)c2)c(C)s1 45244462 DBBHTYXOKKACGT-UHFFFAOYSA-N 284.384 3.509 30 20 CHED CCCCN(C(=O)c1cccc(C#N)c1)[C@H](C)CC 48322315 WZDCRLLBTWUQQR-CYBMUJFWSA-N 258.365 3.599 30 20 CHED C[C@@H]1CCN(c2ccc(Cl)cc2C#N)CCS1 302752114 UTHCVMKFSBGVBH-SNVBAGLBSA-N 266.797 3.543 30 20 CHED C=CCN(CC=C)Cc1nc(-c2cccc(Cl)c2)no1 70925670 SSHSYLJGPRJTKD-UHFFFAOYSA-N 289.766 3.564 30 20 CHED CCc1nc(C#N)cc(SCc2cccc(C)c2)n1 308282428 PEKQSQBXHGPVGL-UHFFFAOYSA-N 269.373 3.511 30 20 CHED N#Cc1cncnc1Oc1ccc(Cl)c2ccccc12 312542651 FTJZMHKCAUBPGP-UHFFFAOYSA-N 281.702 3.947 30 20 CHED N#CCc1cccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 313471995 VVRSJHILQGETHB-KKUMJFAQSA-N 268.360 3.517 30 20 CHED CC(C)(CCNc1ccc([N+](=O)[O-])c(C#N)c1)C1CC1 328407614 GCFFBFWDIHKDTE-UHFFFAOYSA-N 273.336 3.705 30 20 CHED C[C@@H]1CC(Nc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1 84438930 UKUVTVWZONSDNV-QWRGUYRKSA-N 273.336 3.703 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2C2CCC2)c(Cl)c1 439436923 HGWHQLZVAOAMGK-INIZCTEOSA-N 274.795 3.976 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCc2c(cccc2OC)C1 551239960 BRJIYLVLTWQYLQ-OAHLLOKOSA-N 273.420 3.744 30 20 CHED CCCCCCCCCN1C[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 394630000 AHDABBCTMYLKKA-JYJNAYRXSA-N 281.440 3.922 30 20 CHED Cc1ccc(C)c(OCc2ccc(CC#N)cc2)c1 399137417 RRGWRBJZNBMQNT-UHFFFAOYSA-N 251.329 3.949 30 20 CHED Cc1csc(SCc2ccc(C#N)c(C)c2)n1 783081377 SGVOFIKWIHGIDJ-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H]1CCC=CO1 793227600 UDCGLHBLBYHRLI-KRWDZBQOSA-N 257.377 3.757 30 20 CHED C=C/C(O)=N/[C@@H](Cc1nccn1C(F)F)c1ccccc1 328597085 DHMQLXIYPWLDCG-LBPRGKRZSA-N 291.301 3.705 30 20 CHED CC(C)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 5638328 FLPKWUVKCHIHBR-UHFFFAOYSA-N 264.328 3.934 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)COc2ccccc21 7747112 PVSHGANRYLGTFZ-CSKARUKUSA-N 272.250 3.624 30 20 CHED CCCOc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 8565724 RYROHVOKHFNBMJ-UHFFFAOYSA-N 280.327 3.599 30 20 CHED N#Cc1cccc(CNc2ccc(OC(F)F)cc2)c1 20096056 AUYDJTWJARNMMU-UHFFFAOYSA-N 274.270 3.772 30 20 CHED Cc1ccccc1[C@H](C)NCc1ccc(C#N)cc1 20126225 MRHLVHRUJCJGOQ-AWEZNQCLSA-N 250.345 3.718 30 20 CHED N#Cc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 37296337 ZLDFBDNJLMBMNJ-UHFFFAOYSA-N 297.789 3.538 30 20 CHED N#CCCCNC(c1ccccc1)c1ccccc1 37374974 YPGJKJLNNJSPPV-UHFFFAOYSA-N 250.345 3.669 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccc(F)cc2F)c1 41638205 QAKCMSVVSSEDBJ-UHFFFAOYSA-N 272.254 3.590 30 20 CHED CC(C)Oc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 44385980 VCMMQIRIHQMBPN-UHFFFAOYSA-N 286.375 3.886 30 20 CHED C[C@@H](c1cccs1)N(C)CCOc1cccc(C#N)c1 48334929 HRNKLLGOKVJTCP-ZDUSSCGKSA-N 286.400 3.692 30 20 CHED Cc1ccc(OC(=O)CCc2ccc(C#N)cc2)cc1C 53676512 JIOSWJGOYWDNTB-UHFFFAOYSA-N 279.339 3.713 30 20 CHED N#Cc1ccc(F)c(Cn2cc(-c3ccccc3)cn2)c1 54961365 PASKMRKPDRHKIW-UHFFFAOYSA-N 277.302 3.609 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(CCC(C)C)C1CC1 58451578 AKXZRQRZQSMNFQ-UHFFFAOYSA-N 285.391 3.909 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2ccc(Cl)cc2)CC1 60624922 DXZRWXOAYUSZAP-UHFFFAOYSA-N 277.795 3.796 30 20 CHED CN(C(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1 69101492 FPOSRECCNVTPNM-UHFFFAOYSA-N 286.334 3.988 30 20 CHED CC1(C)Cc2cc(CNc3cccc(C#N)c3)ccc2O1 71170108 FLFFXCBKXPBBBP-UHFFFAOYSA-N 278.355 3.884 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cccc(C#N)c1 72614393 JBKHDXOXHCTIKB-AATRIKPKSA-N 253.326 3.824 30 20 CHED CC(C)CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 73427209 RVAWMFSULUDEHH-IRXDYDNUSA-N 299.418 3.514 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCc2ccccc2[C@@H]1CC 74644262 FZELZWGFKRNJDX-PBHICJAKSA-N 287.403 3.504 30 20 CHED Cc1ccc([C@H]2OCCC[C@@H]2Nc2ncccc2C#N)cc1 74778326 YRPJXAQCBZSIIG-DLBZAZTESA-N 293.370 3.594 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1CCCSCC#N 74991019 ZZUNEUHJDLXDSL-ZBFHGGJFSA-N 274.433 3.511 30 20 CHED CC(C)(C#N)NC(=O)CCCSc1ccc(Cl)cc1 77024410 LHLUUTRWRRCPQC-UHFFFAOYSA-N 296.823 3.631 30 20 CHED C=C(C)COc1cccc(NC(=O)NCC(=C)Cl)c1 77442290 HNVOVKYWRQOJRM-UHFFFAOYSA-N 280.755 3.516 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(C#N)c2)o1 79634900 HHVBPQLSOISLJA-IAQYHMDHSA-N 295.342 3.596 30 20 CHED Cc1ccc(CNCc2ccc(C#N)o2)c(OC(C)(C)C)c1 84958770 BUAUYHSHXFOOMX-UHFFFAOYSA-N 298.386 3.927 30 20 CHED Cc1cccc(Cl)c1NC(=O)CNc1ccc(C#N)cc1 85296464 WPRPUQGFWKCREF-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1cc([C@@H](C)NCCC(C)(C)C#N)c(C)s1 87591679 IQOJERCCLFWPRN-LLVKDONJSA-N 250.411 3.955 30 20 CHED C=CCCN[C@H](C)c1ccccc1Br 88162662 LTFXCKINZNAOME-SNVBAGLBSA-N 254.171 3.676 30 20 CHED CN(CCc1cccs1)c1cc(Cl)ccc1C#N 90801908 QZEMVHUYMUCODA-UHFFFAOYSA-N 276.792 3.952 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1C1CC1)c1ccc(C#N)c(Cl)c1 91206471 KVUAILXQKTZRSS-UONOGXRCSA-N 288.778 3.611 30 20 CHED CCN(Cc1cccc(OC2CCCC2)c1)C[C@@H](C)C#N 91982677 DFEDEJPNXIBXQY-HNNXBMFYSA-N 286.419 3.990 30 20 CHED C[C@@H](N[C@H](C)c1ccc(F)cn1)c1ccc(C#N)cc1 92195870 VYHVYVSOZQWCPD-VXGBXAGGSA-N 269.323 3.504 30 20 CHED C=CCc1cc(CN(C)C(C)(C)CC)cc(OC)c1O 93279396 XUXAYFMUTYJEED-UHFFFAOYSA-N 277.408 3.750 30 20 CHED C[C@H](C#N)Oc1ccc(CN(CC2CC2)CC2CC2)cc1 93480086 MVGKCUKHFDXUHJ-CQSZACIVSA-N 284.403 3.599 30 20 CHED N#CCN(C[C@H]1C[C@H]1c1ccccc1)C1CCCC1 93563263 INDAJIZOOJFJOA-WBVHZDCISA-N 254.377 3.558 30 20 CHED N#Cc1ccc(NCC2(CO)CCCCC2)cc1Cl 94432624 OKVNNAQVWHJLHU-UHFFFAOYSA-N 278.783 3.566 30 20 CHED CC(C)Oc1ccc(C/N=C\c2ccccc2O)cc1 103010756 YUKOJZKZDGZABM-PDGQHHTCSA-N 269.344 3.799 30 20 CHED CC(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 108241569 MDOIBSHHRSWBQP-NSHDSACASA-N 262.378 3.533 30 20 CHED Cc1nc(-c2cccs2)sc1C(=O)O[C@@H](C)CC#N 113686181 MHIGPAKYDXTIMS-QMMMGPOBSA-N 292.385 3.639 30 20 CHED CSC(=Nc1nc2ccc(C)cc2o1)SC 114089225 BQYBQCMZQMTBFU-UHFFFAOYSA-N 252.364 3.850 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1sccc1OC 114688224 QHSSEKUJAJTUNB-UHFFFAOYSA-N 294.420 3.549 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](N2CCCC2)C1 121179578 BWDSCVYOPYLBGV-KRWDZBQOSA-N 294.483 3.824 30 20 CHED COc1ccc(NCc2cccc(C#N)c2)c2cccnc12 121392807 PRSUXJYUXKCAQA-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(C#N)cc1 123121354 BJADJBRGOSVEAK-IRXDYDNUSA-N 299.418 3.668 30 20 CHED CC(C)(C)OCCOc1cc(Br)ccc1C#N 123514392 RJNKMUFAQZBNFN-UHFFFAOYSA-N 298.180 3.515 30 20 CHED CC(C)(C#N)CC[S@](=O)[C@H]1CCCc2ccccc21 123528405 FNOYLZXIFJAGOA-HNAYVOBHSA-N 275.417 3.753 30 20 CHED N#CCCCOc1cccc(CNc2ccc(C#N)cc2)c1 123949059 PTGAAXFXLZLPMT-UHFFFAOYSA-N 291.354 3.853 30 20 CHED CC(C)(CCC#N)CNCc1csc(-c2ccco2)n1 124765511 IXOBAVXFSBEFKF-UHFFFAOYSA-N 289.404 3.823 30 20 CHED COc1cccc(C(=O)/C=C/c2cnc3c(C)cccn23)c1 125221943 FNXQZSQGLBVNCE-CMDGGOBGSA-N 292.338 3.547 30 20 CHED CCCCc1noc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)n1 127505675 PFZIHURRXDPBNW-OLZOCXBDSA-N 298.390 3.696 30 20 CHED CC1(C)C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 128451250 GUGGPGLOVOWMGE-SKDRFNHKSA-N 297.185 3.720 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc(O)c1F)c1ccccc1 129408539 VTNOWHXHJRVFAQ-LBPRGKRZSA-N 285.318 3.830 30 20 CHED N#CCC[C@H](NCc1ccccc1O)c1ccccc1 130583710 RDCJVRZVQDWTTC-INIZCTEOSA-N 266.344 3.527 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccc(Cl)c(C#N)n2)n1 150921603 LMKYDCAFLGUZBY-HNNXBMFYSA-N 298.777 3.652 30 20 CHED C=CCCS[C@H](C)C(=O)NCc1ccc(Cl)cc1 151989716 OFNQXQGSRVAEDV-LLVKDONJSA-N 283.824 3.654 30 20 CHED N#Cc1ccc(NC2CCN(c3cccs3)CC2)cc1 154112495 SJLOMRFRINUYEN-UHFFFAOYSA-N 283.400 3.701 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCO[C@@H](c2ccccc2)C1 154234277 VQHJXYNTPSJJGW-STBIIMGESA-N 281.355 3.731 30 20 CHED C=CCN(C)C(=O)Nc1cc(OC)ccc1OCCCC 156397963 OJRFXDUMJDOOCT-UHFFFAOYSA-N 292.379 3.524 30 20 CHED N#Cc1cc(CSc2ccccc2O)ccc1F 158564506 HWWXAXIFOVXUIG-UHFFFAOYSA-N 259.305 3.695 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC[C@H]1C)c1ccccc1 160572118 JBNPSOUACJQIJG-GDBMZVCRSA-N 272.392 3.888 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)[C@H]1COc2ccccc21 166332370 VFCVKKKOSISSPO-MLGOLLRUSA-N 264.328 3.535 30 20 CHED C=CCSCCN[C@H](C)c1ccc(SC)cc1 173389111 OKMMFTWTCZZOGQ-GFCCVEGCSA-N 267.463 3.978 30 20 CHED C=CCOCCCC(=O)N(c1ccc(C)cc1)C(C)C 175176995 OMDXHAGKCPJNQT-UHFFFAOYSA-N 275.392 3.719 30 20 CHED N#Cc1ccc(Oc2ccc(OCc3ccon3)cc2)cc1 176863343 XMQVXJWJNWNBJV-UHFFFAOYSA-N 292.294 3.918 30 20 CHED CN(CCC#N)Cc1ccc(-c2ccccc2C#N)cc1 177189203 AYVFRAGMPSFWBC-UHFFFAOYSA-N 275.355 3.571 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)ccc1N(C)C 177770041 SCVOVRCRRGMMDV-UHFFFAOYSA-N 266.772 3.701 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc(F)c(Cl)c2)CC1 177909585 YQGQVFKXVKACBP-GFCCVEGCSA-N 296.817 3.780 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc(CC#N)c1 178111997 ICNDGRHQKSVMBL-RHSMWYFYSA-N 284.403 3.793 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1oc2c(c1C)C(=O)CCC2 179781310 CMYBSNNONLEXFG-LLVKDONJSA-N 289.375 3.582 30 20 CHED CC(C)(C)c1nn(CC2CCCCC2)c(O)c1CCC#N 180837394 SRCLNCQLNZDJAF-UHFFFAOYSA-N 289.423 3.923 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cc(OC)c(OC)cc1C 180954139 LNJCDJADZFXAIT-CHWSQXEVSA-N 263.381 3.627 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1F 181039474 ALZUHVOLPRKTBG-LLVKDONJSA-N 250.317 3.692 30 20 CHED C=C(C)CN(C)C(=O)c1cc2cc(F)ccc2s1 183056905 FYTFNYJXPBENIA-UHFFFAOYSA-N 263.337 3.689 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 184974454 VKUDSTLTIVEAJL-NSHDSACASA-N 295.329 3.515 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 185733957 SOEHHOBXZXACSE-DOMZBBRYSA-N 287.363 3.749 30 20 CHED C[C@H](CCN[C@H]1CCC[C@H](C#N)C1)N(C)Cc1ccccc1 185852108 GDZNIBWUCBHKQW-NEWSRXKRSA-N 299.462 3.569 30 20 CHED C=C(C)[C@@H](NC(=O)c1ccoc1C)c1ccc(F)c(F)c1 186050960 WUTVLFGETODRPH-OAHLLOKOSA-N 291.297 3.913 30 20 CHED C=CCC[C@@H](C(=O)Nc1cccnc1OC)c1ccccc1 186779370 MGDQMWFOYYEBMG-OAHLLOKOSA-N 296.370 3.779 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)c1cccc(O)c1)c1ccccc1 186851068 OSCJVXOWEYAASV-RDTXWAMCSA-N 295.382 3.929 30 20 CHED CCCCC[C@](C)(CC)C(=O)Nc1ccn(CCC#N)n1 187097689 VEEFOCSBVHITSA-INIZCTEOSA-N 290.411 3.732 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(F)c1)c1nc(C)cs1 192176998 UDPLFRGBKLARSM-CQSZACIVSA-N 289.379 3.703 30 20 CHED C[C@H](Cc1cccs1)NC(=O)Nc1ccc(CC#N)cc1 192837810 JPIJJCSNBOZCMJ-GFCCVEGCSA-N 299.399 3.567 30 20 CHED CCN(CC)c1ccc(/C=N/CC2(SC)CC2)c(O)c1 193256802 BEYFURNSKQIFGO-GZTJUZNOSA-N 292.448 3.553 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)Cc1cccc(Cl)c1Cl 193966704 FLNAAHHNBYDDKJ-CQSZACIVSA-N 299.201 3.590 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1 194334199 MVVXCCHFFQJOMY-UHFFFAOYSA-N 295.386 3.900 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](CC)CCC)cc1OC 195143337 YSDSKEQJJNANIN-CQSZACIVSA-N 291.391 3.569 30 20 CHED C=CCCCCCNc1ccc(F)cc1CS(C)(=O)=O 195450722 HKJKGXUMVFWOBD-UHFFFAOYSA-N 299.411 3.529 30 20 CHED COc1cc(/C=C\C(=O)c2cccs2)ccc1OCC#N 211715897 NBJRUGRQAMQJSG-XQRVVYSFSA-N 299.351 3.555 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc2c(c1)OCO2 211768364 IRZKTLJMYXXIBK-HYXAFXHYSA-N 272.325 3.681 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1 225258097 DYIAVSBECJYNPA-UHFFFAOYSA-N 281.702 3.929 30 20 CHED Cc1nc(CCNc2cc(Cl)ccc2C#N)cs1 227648719 CYQJAJXSVBAHGC-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CCC[C@H]1CCCCN1Cc1cccc(C#N)c1F 230649626 HIAQWQDSSCUASN-HNNXBMFYSA-N 260.356 3.852 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)c2ccccn2)cc1 248582127 FMZBMVLQVAQFDO-HUUCEWRRSA-N 295.386 3.565 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NCc2cc(C#N)ccc2F)C1 252181858 SZUAJHYZNMPZDE-JYAVWHMHSA-N 260.356 3.612 30 20 CHED O=C(c1ccccc1)N1CCCSC1=Nc1ccccc1 254392808 DMTIZQYJJHZBCD-UHFFFAOYSA-N 296.395 3.953 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccccc1[N+](=O)[O-] 255142886 XFUGVZZMTZLCIG-SREVYHEPSA-N 273.313 3.861 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3nccn23)cc1 255598645 FMQNDHUPJGYPKG-KTKRTIGZSA-N 262.312 3.539 30 20 CHED COc1cccc(C(=O)/C=C\c2cnc3c(C)cccn23)c1 255864605 FNXQZSQGLBVNCE-HJWRWDBZSA-N 292.338 3.547 30 20 CHED CC(C)CCc1noc(/C=C/c2ccc(OCC#N)cc2)n1 264645364 RHKJBZVHVJRSOQ-UXBLZVDNSA-N 297.358 3.731 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1 265574291 BLUXKLNDIKVAAN-XJKSGUPXSA-N 270.376 3.599 30 20 CHED CN(CCCSCC#N)Cc1ccc2ccccc2c1 266731839 MBDSHYVXDULYIM-UHFFFAOYSA-N 284.428 3.918 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)c1ccc(F)cc1F)OCC 270144587 SXLIOCRPKGFUDO-IAQYHMDHSA-N 297.345 3.513 30 20 CHED CC1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CCCC1 271032081 ZKLJDIACTKTEJO-CYBMUJFWSA-N 276.767 3.601 30 20 CHED C=CCCCSCc1nnc(C2CC2)n1C1CC1 272808627 GLRSWHGFLLJKMR-UHFFFAOYSA-N 263.410 3.690 30 20 CHED C=CCN(C(=O)C[C@H]1CCO[C@@H](CC)C1)c1ccccc1 273017408 WOLKSBTYQSTLKK-RDJZCZTQSA-N 287.403 3.801 30 20 CHED Cc1nc2c(s1)[C@@H](N(C)c1nccc(C)c1C#N)CCC2 273337135 NAYMLJBFMYQGJM-AWEZNQCLSA-N 298.415 3.540 30 20 CHED CC[C@H](CC#N)NCc1cc(C(F)(F)F)ccc1F 273823646 DHUSRQJRAVFREK-LLVKDONJSA-N 274.261 3.626 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 273849586 JPTKYIRZEGNYRE-GXSJLCMTSA-N 299.201 3.905 30 20 CHED N#CCc1ccc(C(=O)N[C@@H]2CCCc3sccc32)cc1 274336350 OJRUJKGDISUFIF-OAHLLOKOSA-N 296.395 3.622 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CC(=O)c2ccccc21 277336498 XXWWEQILOIUCGC-INIZCTEOSA-N 285.387 3.561 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C(=O)CC(C)(C)C#N 278414814 WHNZPDORFSUWSJ-MRXNPFEDSA-N 272.392 3.782 30 20 CHED CN(Cc1ccccc1C(F)(F)F)[C@H]1CC[C@H](C#N)C1 278564438 ISHQVBDDOXBNSH-AAEUAGOBSA-N 282.309 3.829 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 281454559 SRJWPPVSPXTVTM-GFCCVEGCSA-N 291.351 3.688 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc[nH]c1C(C)C 285843096 PMRIDXSDBGZPFQ-UHFFFAOYSA-N 286.375 3.602 30 20 CHED C=CCC[C@@H](NCc1ccc(OCC#N)cc1)c1ccco1 286258794 UTHDIKLKFHHRDY-QGZVFWFLSA-N 296.370 3.979 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc(-c2cccs2)cs1 287168608 QRRYNUBYBPXCNU-ZDUSSCGKSA-N 291.401 3.750 30 20 CHED C=C(CNC(=O)N(Cc1ccco1)C(C)C)c1ccccc1 287962845 HZINAMBCEIMYQK-UHFFFAOYSA-N 298.386 3.913 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)CCCCCc1cccs1 291436053 ATZXYYBTOVXPHA-MRXNPFEDSA-N 290.432 3.659 30 20 CHED Cc1cccc(CN(Cc2ccco2)C(=O)CCCC#N)c1 292491371 FDXJANCKMIZEFW-UHFFFAOYSA-N 296.370 3.811 30 20 CHED Cc1nc(N[C@@H]2CCO[C@@H](C(C)C)C2)c(Cl)cc1C#N 292782978 XMAHKTJZGYTONU-TZMCWYRMSA-N 293.798 3.531 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 293735664 OTHKAAUAKJVWGJ-QGZVFWFLSA-N 297.398 3.592 30 20 CHED COc1cc(N[C@@H]2CCC[C@H](C#N)C2)cc(OC)c1C 293989702 BXCFLTCMIJTMMH-QWHCGFSZSA-N 274.364 3.507 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 294269138 BWFSHUHKVXMMIO-MKBNYLNASA-N 290.794 3.642 30 20 CHED Cc1ccccc1CCN(C)CCCC(C)(C)C#N 295630011 FSAXCOXKKGDXHY-UHFFFAOYSA-N 258.409 3.799 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc2sccc2c1 295960327 HTMRSGBKBXOOEA-UHFFFAOYSA-N 259.374 3.730 30 20 CHED C=CCCc1noc([C@H](C)Oc2cccc(C(C)=O)c2)n1 297357480 PPNHHJWSTUIQSH-LBPRGKRZSA-N 286.331 3.531 30 20 CHED CC[C@H](NCCC(C)(F)F)c1ccc(C#N)cc1 297363804 PXGJPAGSSFXEGW-ZDUSSCGKSA-N 252.308 3.644 30 20 CHED N#Cc1cccc(NC(=O)NC[C@@H]2CCCCC2(F)F)c1 297474610 OFGAFAATBDMTOX-LBPRGKRZSA-N 293.317 3.505 30 20 CHED CCCOc1ccc(OC(=O)[C@@]2(C#N)CC23CCCC3)cc1 297691484 CAKZCFFKYNZZDP-SFHVURJKSA-N 299.370 3.855 30 20 CHED CCN(CCc1cccs1)C(=O)Nc1ccc(C#N)cc1 298722881 OQBZMXVBSGPHII-UHFFFAOYSA-N 299.399 3.716 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@@H](c2nccs2)C1 301146394 LVRDHSOCVKMGCZ-LLVKDONJSA-N 287.363 3.538 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2Cc2ccccc2Cl)n1 301524292 IGKKVUNHLPYMPQ-OAHLLOKOSA-N 297.789 3.818 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1cccc(F)c1C#N)CO2 301684768 UZUUDPNMMHOUKB-HNNXBMFYSA-N 268.291 3.551 30 20 CHED CCCOc1ccc2c(c1)CCN(c1ccc(C#N)cc1)C2 301761090 FXHXZZJATWXROJ-UHFFFAOYSA-N 292.382 3.910 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCC3(CCCC3)C2)c1 302118888 SROBNIFWMAZDHK-UHFFFAOYSA-N 268.360 3.531 30 20 CHED CC(C)c1cccc2c1CCN(c1cccc(C#N)n1)C2 302749987 GVDYLLARSOKNPY-UHFFFAOYSA-N 277.371 3.639 30 20 CHED CCC(C)(C)CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 302801911 UODMYGJXZCDECE-UHFFFAOYSA-N 298.346 3.863 30 20 CHED N#Cc1cnc2ccccc2c1NCCOC1CCCCC1 315678858 LNVAQDZZZIXNAK-UHFFFAOYSA-N 295.386 3.868 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)C1 329835426 HLKDGPZUKYITNT-DYEKYZERSA-N 274.364 3.541 30 20 CHED Cc1ccc(N=C(O)N2CCC23CCC3)cc1-c1ncco1 330099598 DHKOTODSGFUSRN-UHFFFAOYSA-N 297.358 3.824 30 20 CHED Cc1ccc(F)c(-c2noc(C3(C#N)CCCCC3)n2)c1 331653168 LGKCHVORFQADQW-UHFFFAOYSA-N 285.322 3.910 30 20 CHED CC1(C#N)CCC(Nc2ccc(N3CCCCC3)nc2)CC1 332374180 CISUHTBEDKVXAM-UHFFFAOYSA-N 298.434 3.956 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC12CCCC2 335082069 CDUOZOGNTMKSIH-CJNGLKHVSA-N 282.387 3.658 30 20 CHED Cc1nc(C(C)C)oc1CN1CCCC(C)(C)[C@@H]1C#N 335831380 ZXMWERYNBPFGBR-AWEZNQCLSA-N 275.396 3.621 30 20 CHED C[C@@H](C#N)CNC(=O)c1c(Cl)cc(Cl)cc1Cl 336246627 XUIIUAPYLYWDKH-LURJTMIESA-N 291.565 3.536 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2CC#N)cc1Cl 336612855 YYTYJBAXQJNIPB-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C=CCN(CC=C)Cc1nc(-c2cccs2)oc1C 338391052 AQFDTEPKQKUZBO-UHFFFAOYSA-N 274.389 3.886 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 341475666 YBJDJFDSXJQKQX-RISCZKNCSA-N 262.740 3.586 30 20 CHED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C(C)C 341759240 GWEGKOJKGXTONM-IRXDYDNUSA-N 256.393 3.960 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(-c2ccncc2)cc1 341875631 JDNRYIUIMUDONN-HZPDHXFCSA-N 296.414 3.584 30 20 CHED N#CCCCNC(=O)Nc1ccccc1-c1ccccc1 344910163 DWLFQFHXCYACRW-UHFFFAOYSA-N 279.343 3.779 30 20 CHED C=CCCC1(c2nc(Cc3nc(C)c(C)s3)no2)CC1 346604996 LAQIEKHVOSASOS-UHFFFAOYSA-N 289.404 3.732 30 20 CHED C=CCC[C@H](N[C@H](C)[C@H]1CCCO1)c1ccccc1 346625415 CEQSGRKQTUIADS-HYVNUMGLSA-N 259.393 3.851 30 20 CHED Cc1ccc(C#N)c(NCC2(c3ccccc3C)CC2)n1 346813414 AAKFKMNPVLGLFU-UHFFFAOYSA-N 277.371 3.714 30 20 CHED CCN(C(=O)[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 347063839 HTZDXPSPZPQRAR-NEPJUHHUSA-N 270.332 3.502 30 20 CHED N#Cc1cnccc1/C=C/c1cc(F)c(F)c(F)c1 349113358 RRJNBAGDUTVKSI-OWOJBTEDSA-N 260.218 3.541 30 20 CHED C=C(C)CN(C)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 350021337 OAUXSAUPHYYEAP-LBPRGKRZSA-N 290.411 3.771 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1occ2c1CCC2 350684357 XNJAAKJEIDYRKQ-UHFFFAOYSA-N 299.345 3.736 30 20 CHED C[C@H](CC#N)NC(=O)Nc1cccc(-c2ccccc2)c1 353002159 UNGITSAMENIDAC-CYBMUJFWSA-N 279.343 3.777 30 20 CHED C=CCC[C@H](NCC1([C@@H](O)C(C)C)CC1)c1ccco1 353614392 SOVHXAHDEDOUFI-HOCLYGCPSA-N 277.408 3.674 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccn(C)c1 355227540 UNZLUMZGNQQEJU-UHFFFAOYSA-N 254.377 3.603 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(CCC#N)CC1CC1 358817590 POHIRWHIZJJCRV-INIZCTEOSA-N 276.424 3.745 30 20 CHED Cc1nn(CCCOc2ccc3ccccc3c2)cc1C#N 359353984 TXRIKTGLTWQFQE-UHFFFAOYSA-N 291.354 3.686 30 20 CHED C=CCN(C)C(=O)c1c(-c2cccc(Cl)c2)noc1C 360058641 YBQNTTYEFRKGLU-UHFFFAOYSA-N 290.750 3.561 30 20 CHED CO[C@]1(C)C[C@H](Nc2nc(C)c(C#N)cc2Cl)C1(C)C 360074164 QGGBPRHCCGCSQL-SWLSCSKDSA-N 293.798 3.531 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 360244285 ZOKHTMPCSGILFG-HOTGVXAUSA-N 282.387 3.517 30 20 CHED Cc1cc(CSCCOCC(F)(F)F)ccc1C#N 362453842 IRQSMEAOXVNUMG-UHFFFAOYSA-N 289.322 3.679 30 20 CHED CCO[C@H](CC(=O)Nc1cc(C#N)ccc1C)C1=CCCC1 362631012 NKPDDHFQSMKDPD-QGZVFWFLSA-N 298.386 3.711 30 20 CHED COc1cc(C#N)cc(OCc2cc(C)sc2C)c1 362724790 QPWOHUQREPAGOL-UHFFFAOYSA-N 273.357 3.824 30 20 CHED C=CCCCC(=O)N1CC[C@@](F)(c2ccccc2F)C1 374729940 GSVBUJJKZMVWGT-INIZCTEOSA-N 279.330 3.579 30 20 CHED N#Cc1cc(F)cc(OC[C@@H]2CCC3(CCCCC3)O2)c1 385738187 KGRIMWCCPWTKAD-HNNXBMFYSA-N 289.350 3.958 30 20 CHED N#CCC1(CNC(=O)Nc2cc(Cl)ccc2Cl)CC1 404238407 VKSYAOYGQLLVPL-UHFFFAOYSA-N 298.173 3.809 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H](C3CC3)C2)cc1F 404688992 QRNZFAHYBSSBCM-GDBMZVCRSA-N 272.367 3.756 30 20 CHED C[C@H]1[C@@H](C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1(F)F 411008708 UHZFQYHDOVSHBF-XVKPBYJWSA-N 298.358 3.757 30 20 CHED CSCC(C)(C)C(=O)Nc1ccc(CC#N)cc1Cl 411012310 GRIYLOQCRXZDHT-UHFFFAOYSA-N 296.823 3.734 30 20 CHED CCN(Cc1cc(F)ccc1C#N)Cc1occc1C 412027139 OJAPEMDUIGNVSX-UHFFFAOYSA-N 272.323 3.621 30 20 CHED C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC(C)(C)C1 412245518 NVOWFSQJKLTDOL-XOKHGSTOSA-N 296.414 3.556 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(OC)cccc1SC 417680960 OPSMZXNYPPSXRR-UHFFFAOYSA-N 294.420 3.751 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCOCC1CCC1 419202387 DJALPLKDLZFDCM-OALUTQOASA-N 298.430 3.575 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C2CC2)s1 421351667 OGTSERYDBJXSCO-HUUCEWRRSA-N 260.406 3.678 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCCC[C@@H]1C 424650360 UIZYLHVTQPXMML-GJZGRUSLSA-N 264.413 3.601 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccccc1C(F)F 425696661 ZRZRTLDGLVBRSY-UHFFFAOYSA-N 293.317 3.782 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1Cl)NCCC#N 425982644 XSGBQRCPRHWNRP-GFCCVEGCSA-N 271.191 3.818 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(OC)cc2)no1 426289579 GFWUMOISNXSGGS-UHFFFAOYSA-N 272.348 3.523 30 20 CHED C[C@H]1CCN(Cc2cccc(F)c2C#N)C[C@H](C)C1 428294436 GHOUICGSUXVPPA-QWHCGFSZSA-N 260.356 3.565 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCC1(CC)CC1 428338151 KWQAHBGASZZGAN-UHFFFAOYSA-N 286.419 3.617 30 20 CHED CC[C@@H]1CCC[C@@H]1NCC#Cc1ccc(Cl)cc1 429782158 FQUSVJCYAOIUFP-ZBFHGGJFSA-N 261.796 3.860 30 20 CHED Cc1ccc(NC(=O)COc2ccc(C#N)c(C)c2)c(C)c1 434648320 YHMLVUITCMUOOD-UHFFFAOYSA-N 294.354 3.501 30 20 CHED COc1cc(OCc2cccc(Cl)c2)ccc1C#N 435799821 NOAOCTLESPRZGP-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 437471746 WZKFILFYAVLWBL-ROUUACIJSA-N 299.414 3.665 30 20 CHED C[C@H]1C[C@H](C)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1 438063617 QPSSYXUMUJIZFI-STQMWFEESA-N 297.320 3.667 30 20 CHED N#CCC[C@@H](Nc1ncccc1F)c1ccccc1 439108327 NWMMGKJNUKSFBA-CQSZACIVSA-N 255.296 3.678 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCc1ccc2[nH]ccc2c1 441083937 ICNWOGSVDWFACF-CQSZACIVSA-N 299.418 3.754 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCc2cccc(C(F)(F)F)c2)C1 442786004 WSRGEMAAVFOLFY-UKRRQHHQSA-N 296.336 3.920 30 20 CHED N#Cc1cccc(N[C@H]2Cc3[nH]c4ccccc4c3C2)c1 442803750 XKGDDHDQONVSLO-CQSZACIVSA-N 273.339 3.619 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H](CCc2ccccc2)C(F)(F)F)C1 442821698 BYQVFPXMVDHGCP-ILXRZTDVSA-N 296.336 3.832 30 20 CHED CC1(C)CCCN(Cc2ncc(Cl)cc2Cl)[C@H]1C#N 444721283 RJWCTAJMMGLLOI-ZDUSSCGKSA-N 298.217 3.903 30 20 CHED COc1ccc(C#N)cc1CN1CCCC2(CCCC2)C1 445876578 XJNHVSDRENEYKD-UHFFFAOYSA-N 284.403 3.723 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)NCC#Cc1ccccc1 446239513 ZIWUXBYGTLWZON-INIZCTEOSA-N 298.430 3.648 30 20 CHED CC[C@@H](NCC(C)(C)N1CCCCC1)c1ccc(C#N)cc1 447511135 KOEHPCGFCGAGMM-GOSISDBHSA-N 299.462 3.863 30 20 CHED CCCCO[C@@H]1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1(C)C 447587496 QMDWDLMLHLNZBC-XUWVNRHRSA-N 278.440 3.642 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc(N2CCNC2=O)c1 449004017 VBZVZTPQXJTYRF-CQSZACIVSA-N 287.407 3.763 30 20 CHED C=CC(C)(C)CNCc1ccc(F)c2cccnc12 449487374 YMBQYMUGPBBVLQ-UHFFFAOYSA-N 258.340 3.676 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OC2CCCCC2)cc1 449874612 BRWWUZNPXGAGIU-ACJLOTCBSA-N 298.386 3.886 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1cccc(C2CC2)c1 451112367 JDRBTLQZXQCEAW-CXAGYDPISA-N 259.393 3.542 30 20 CHED C=CCC1(C(=O)NCC[C@@H]2CCc3ccccc32)CCC1 452317759 QWAPRRJVSOKMBY-INIZCTEOSA-N 283.415 3.969 30 20 CHED C=CCC1(C(=O)NCCCc2ncccc2C)CCCC1 452773996 SZLYSQRYOCWVEY-UHFFFAOYSA-N 286.419 3.575 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc(-c2ccncc2)cc1 453350897 JYCZTTFYYYCZSK-DNVCBOLYSA-N 296.414 3.726 30 20 CHED C=CCC1(CN[C@H]2CCC[C@H]2CCOC)CCCC1 453361529 KIADFLRTMXFUPY-HOTGVXAUSA-N 265.441 3.918 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](C)C1CCCCC1 455309948 CISBMEKKVDKTRR-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=C(CC)CNC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 455515664 BMDXRFNUTQOKEI-GDBMZVCRSA-N 272.392 3.540 30 20 CHED C=CCC1(NC(=O)NCCCCOC(C)C)CCCCC1 458649519 LKHZREDOELZGOV-UHFFFAOYSA-N 296.455 3.770 30 20 CHED COc1ccc([C@@H](C)[C@@H](C)NCC(C)(C)CC#N)cc1 459729584 KDVWTUTYQDLQIX-UONOGXRCSA-N 274.408 3.717 30 20 CHED Cc1ccc2[nH]c(CNCC(C)(C)CC#N)cc2c1C 459738221 XVJCCSXTAHCELF-UHFFFAOYSA-N 269.392 3.814 30 20 CHED CCC1(C(=O)Nc2ccc(C#N)cc2)CCCCC1 460776386 JHBCBHWBZLZUFF-UHFFFAOYSA-N 256.349 3.857 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2ccc(F)cc2C#N)C1(C)C 463471533 XHUNAEHJWAGQFZ-LSDHHAIUSA-N 276.355 3.701 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H](C#N)C(C)C 464310183 KAMIJXGAAXKOCG-GJZGRUSLSA-N 264.413 3.503 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 466558030 ZWGHEPKOQQZOMB-UHFFFAOYSA-N 290.260 3.884 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@@H]1NCCc1cccc(C#N)c1 467442136 KBKONONOIOPGEV-ORAYPTAESA-N 294.373 3.763 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCc2cc(C)ccc21 467928062 UJDFFXQZTXBMDO-RDJZCZTQSA-N 257.377 3.701 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@H]1CCOc2ccc(OC)cc21 468050163 QGDUGIXOKOVWQK-IOASZLSFSA-N 275.392 3.709 30 20 CHED Cc1ccc2[nH]c(CNCc3cccc(C#N)c3)cc2c1C 472044841 OWPVFGOZNHAZOK-UHFFFAOYSA-N 289.382 3.946 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 472792721 QQRYFHVECXKAPW-HZPDHXFCSA-N 296.455 3.626 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCSC(CC)(CC)C1 474169147 LXWDVPVHDSBRAX-CQSZACIVSA-N 269.454 3.723 30 20 CHED N#Cc1cccc(OCCCSCC2CCC2)c1 477359032 WDYXNOPMHWWPHE-UHFFFAOYSA-N 261.390 3.860 30 20 CHED C=CCOCCCOc1cc(CC)nc2ccccc12 478775737 VZPHREDKLHSOQV-UHFFFAOYSA-N 271.360 3.769 30 20 CHED C=CCOCCCOc1ccccc1N1CCC[C@@H](C)C1 478817458 VQFRIMFPGJOBED-MRXNPFEDSA-N 289.419 3.894 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H](c2ccc(F)cc2)C1 483107378 RAHHLIJNJVYUAJ-OAHLLOKOSA-N 298.336 3.826 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(C)c1)c1nc(C)cs1 488312261 UQBTVRHFTNJGOA-OAHLLOKOSA-N 285.416 3.873 30 20 CHED C=C[C@H]1CCCCN1C(=O)CSc1cc(C)ccc1C 488815231 AMZSCXUEKRTPPQ-HNNXBMFYSA-N 289.444 3.963 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(CSC)cc1 488851628 JIOGJGLDDRWWTP-UHFFFAOYSA-N 286.400 3.789 30 20 CHED C#C[C@@H](NCc1nc(C)cs1)c1ccc(Cl)cc1F 491622282 HZSHJBSCHXMWLK-CYBMUJFWSA-N 294.782 3.708 30 20 CHED C#C[C@@H](C)N(C)C(=S)Nc1c(C)cc(C)cc1Cl 491796319 ZMLNOPDUOHMUOH-LLVKDONJSA-N 280.824 3.607 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C\c1cnccc1C 492498872 HPSVQDCDODAYNT-KTKRTIGZSA-N 292.382 3.618 30 20 CHED COc1ccc(C#N)cc1NCc1cccc(Cl)c1F 500997371 DWRHECFDCWCLBX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCOc1ccc(CN(CCOC)C2CC2)cc1Cl 507170186 LXPFPWAJIZRXEC-UHFFFAOYSA-N 295.810 3.516 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 509978081 SABLZFPASGEQLM-DLBZAZTESA-N 282.387 3.565 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H]2CC[C@@H](F)C2)CCCC1(C)C 512782964 HTKVBORYQQGBRX-RDBSUJKOSA-N 282.403 3.653 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@H]1CCCC[C@H]1C 512808781 RGPITKDVAQZFFC-HUUCEWRRSA-N 266.429 3.810 30 20 CHED C=C1CCN(C(=O)C(C)(C)c2ccccc2Cl)CC1 517482794 MCJQUMVUANUPOA-UHFFFAOYSA-N 277.795 3.796 30 20 CHED C[C@H]1C[C@]1(NCc1ccc(C#N)cn1)c1ccc(Cl)cc1 518996074 RZWLTLHRGUKCKZ-YVEFUNNKSA-N 297.789 3.632 30 20 CHED C=CCOCC(=O)N(C)c1ccccc1Oc1ccccc1 520631469 IZIVTRQWEYRSMJ-UHFFFAOYSA-N 297.354 3.644 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)C 521562367 XFTMZBWYRAGYHP-CYBMUJFWSA-N 277.343 3.644 30 20 CHED C=CC[C@@H](C)NC(=O)NCCc1ccc(C(C)C)cc1 522594715 YNITYKDWWWDXMA-CQSZACIVSA-N 274.408 3.616 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 527737354 UPBVUVPTQNNPLN-RBSFLKMASA-N 276.424 3.791 30 20 CHED CC[C@@H](CCc1ccccc1)NCc1ccc(C#N)o1 527764812 YWGYGSRFDOORMQ-HNNXBMFYSA-N 268.360 3.652 30 20 CHED Cc1cocc1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 529447916 JJDCNPGMDSJVRV-UHFFFAOYSA-N 298.342 3.889 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc2oc3ccccc3c2c1 531291397 CMYWKTGLWWNHLR-JTQLQIEISA-N 264.284 3.684 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cc(C#N)ccc1C 534884900 AAIWMBCQEVDRCJ-LBPRGKRZSA-N 258.365 3.878 30 20 CHED C=CCOc1ccccc1C(=O)NC1CCC(F)(F)CC1 534922595 ZIQGCZWNFLCDTG-UHFFFAOYSA-N 295.329 3.559 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1c(F)cccc1Cl 537225907 RIEBAVKNJBYYSU-LLVKDONJSA-N 283.774 3.883 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N[C@@H](C)c1ccc(C#N)cc1 538397969 HOILUFREVWUEPK-XKQJLSEDSA-N 286.419 3.803 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1c1ncccc1C#N 541207188 JKLHBDGWQNWORG-GDBMZVCRSA-N 277.371 3.726 30 20 CHED N#CCC1CCN(Cc2ccccc2OC(F)(F)F)CC1 542853520 IJWIMTDXTBGXCZ-UHFFFAOYSA-N 298.308 3.711 30 20 CHED Cc1ccc(CCCN(C)Cc2cccc(C#N)c2)cc1 543138734 MAIWFDNUWLOQDA-UHFFFAOYSA-N 278.399 3.931 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCCCC1(C)C 543236285 FSQWADQPYQDQNV-STQMWFEESA-N 252.402 3.609 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H](C)[C@H]2C)c1C#N 544066733 GMKDRWAHZLFQSY-GXSJLCMTSA-N 263.772 3.540 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(C)(C)C)C1 544183974 RZQVMUIJMWUGRK-CJNGLKHVSA-N 256.393 3.987 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCC2)ccc1C1CC1 548473168 JFTVJUPRQFJATH-UHFFFAOYSA-N 254.333 3.505 30 20 CHED C=CCC[C@H](NCCC1C[C@@H](C)O[C@H](C)C1)C1CC1 549237652 WIBVYNIOZLCGOH-CPUCHLNUSA-N 265.441 3.915 30 20 CHED C=C(C)Cn1c(N2CCCC(C)(C)C2)nnc1C(C)(C)C 549656937 SPRFNOKKBYUCFY-UHFFFAOYSA-N 290.455 3.778 30 20 CHED N#Cc1ccc(-c2ccc(OCC3(O)CCCC3)cc2)cc1 551994063 UZQLXGJJIDIKEW-UHFFFAOYSA-N 293.366 3.909 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)N[C@H](C)CCC#N 563220111 ORHJAHGIXAWQNG-ZIAGYGMSSA-N 260.381 3.817 30 20 CHED CC(C)(CC#N)CSc1ncnc2ccsc12 563822558 UTMLIZKXQBOBCD-UHFFFAOYSA-N 263.391 3.723 30 20 CHED CCC[C@]1(C(F)(F)F)CCCN1Cc1ccc(C#N)cn1 565156585 IWDXFRVIJXROKS-CQSZACIVSA-N 297.324 3.650 30 20 CHED N#Cc1c(NC(=O)[C@]23CCC[C@H]2C3)sc2c1CCCC2 567606777 SAMBJSWIVSPOMP-QFYYESIMSA-N 286.400 3.627 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC(C)(C)[C@H]1c1cccnc1 571645081 MGEGUIWTXVNSJG-PBHICJAKSA-N 272.392 3.593 30 20 CHED CC#CCN(C)C(=O)c1ccc(-c2ccccc2Cl)o1 573834509 HBMOTPVFQXFYGZ-UHFFFAOYSA-N 287.746 3.695 30 20 CHED CCN(C(=O)[C@H](C#N)CCc1ccccc1)[C@@H](C)C(C)C 580961026 HPUKFDGQQRJYQR-RDJZCZTQSA-N 286.419 3.652 30 20 CHED CC(C)c1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)nc1 581858586 XDBKXINHPGOWOD-SFHVURJKSA-N 299.418 3.797 30 20 CHED N#CCC[C@@H](C#N)COc1cccc(Oc2ccccn2)c1 582076060 ZXCCRAWXDQINTL-AWEZNQCLSA-N 293.326 3.696 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cccc(NC(=O)CC)c2)no1 582691328 XVLLAXVGAOYQPL-QGZVFWFLSA-N 299.374 3.939 30 20 CHED C=C[C@](C)(CC)c1nc([C@H]2CCOc3ccccc32)no1 584686112 FYNDQNVAXNVJOG-SUMWQHHRSA-N 284.359 3.838 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)OCC(C)(C)C#N 588418952 ZEBWDLMMPUXCEO-FLIBITNWSA-N 277.751 3.836 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1cnn(-c2ccccc2)c1 588618510 WZSGDGPKSURYAN-KHPPLWFESA-N 299.333 3.640 30 20 CHED CCN(C(=O)CCCCCC#N)C1CCCCC1 588839355 VZQNVCXXDDGESC-UHFFFAOYSA-N 250.386 3.642 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C 592616162 AWEFJFBSFZGYIU-OZVIIMIRSA-N 264.413 3.503 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCC(C)(C)[C@@H]1C#N 592624569 ZWROXUYJFXXFHJ-MJBXVCDLSA-N 276.424 3.599 30 20 CHED N#CC1(c2ccc(C3=CCNCC3)cc2)CCCCC1 592988086 FATYMIJDRUMBJK-UHFFFAOYSA-N 266.388 3.789 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@H]1c1cccc(C)c1C 593483327 XCGZDJMEUFYYLL-GOEBONIOSA-N 270.376 3.517 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H](C)c1ccccc1C(F)(F)F 594088004 FYNGHDQROHYVOT-QWRGUYRKSA-N 298.308 3.569 30 20 CHED COc1ccc(C#N)cc1NC[C@@H]1CCCCC1(F)F 594700460 IHFCJWDOPXLTEH-LBPRGKRZSA-N 280.318 3.804 30 20 CHED CC[C@H](CNc1ccc(C#N)cc1OC)CC(F)F 594706619 BIZDHERPWZTGRM-JTQLQIEISA-N 268.307 3.660 30 20 CHED N#CC1(Cc2nc(-c3ccccc3)no2)CCCCC1 594730264 QSYGJLJDGNSIIO-UHFFFAOYSA-N 267.332 3.753 30 20 CHED CC(C)CCN(CCC#N)c1cc(C(C)(C)C)ncn1 596167120 DIEFZIFFNSEONA-UHFFFAOYSA-N 274.412 3.540 30 20 CHED CCc1noc(C)c1CSCCc1ccc(C#N)cc1 596347472 WUTAJNYCXHBBNW-UHFFFAOYSA-N 286.400 3.893 30 20 CHED N#CC1(CC(=O)NC[C@@H]2CCc3ccccc32)CCCCC1 597206556 REHJXBCRVCYLDN-INIZCTEOSA-N 296.414 3.697 30 20 CHED CC[C@H](C)N(CC)C(=O)c1ccc(C(C)(C)C#N)cc1 597857863 UQMHLPYMBOFQTN-ZDUSSCGKSA-N 272.392 3.748 30 20 CHED Cc1cc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)c(C)[nH]1 598885078 LDCAHRZSCOBFKM-UHFFFAOYSA-N 293.370 3.703 30 20 CHED CC(C)(CC#N)CNC(=O)CC(C1CCC1)C1CCC1 600001578 NBWMJNAMPKRSLT-UHFFFAOYSA-N 276.424 3.649 30 20 CHED N#CCCCc1nc(Cc2ccc(C(F)(F)F)cc2)no1 601928337 VKGHXVNXQLGGGE-UHFFFAOYSA-N 295.264 3.525 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)C#N)c1cc(C)ccc1C 602285978 FCRWQLKAAJNKJS-HNNXBMFYSA-N 287.407 3.604 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1ccc(Cl)cc1 602505024 PHQRZEBYUMQLKW-VXGBXAGGSA-N 250.773 3.930 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCCOc2c(F)cccc21 602587429 GWXBIQOURFYYLP-IUODEOHRSA-N 276.355 3.569 30 20 CHED C[C@@H](CNc1cc(Cl)ccc1C#N)N1CCC[C@@H](C)C1 609891727 HLIVRVNMSGQYGW-OLZOCXBDSA-N 291.826 3.744 30 20 CHED Cc1cc(C)c(-c2csc(NC(=O)[C@@H](C)C#N)n2)cc1C 609919712 FCIOQXYMUDSJLC-LBPRGKRZSA-N 299.399 3.834 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 610239122 BIJMCLUJASBSEF-HZMBPMFUSA-N 298.308 3.617 30 20 CHED C[C@@H]1CCCN(c2c(C#N)cnc3c(F)ccc(F)c23)C1 610245038 BYOKPAJRQODGNZ-SNVBAGLBSA-N 287.313 3.621 30 20 CHED N#Cc1cc(F)ccc1N1CCCc2sccc2C1 610277258 JFEIFAKCWYKJDO-UHFFFAOYSA-N 272.348 3.712 30 20 CHED CC(C)c1ncc(C(=O)N[C@H](C)c2cccc(C#N)c2)s1 610948167 SISLKOQRPWQDJO-LLVKDONJSA-N 299.399 3.629 30 20 CHED Cc1cc([C@@H](C)NCc2cc(C#N)ccc2F)ccc1F 611336534 ZNGOPPHTVCODDO-GFCCVEGCSA-N 286.325 3.996 30 20 CHED CC[C@H]1[C@H](C)CCN1c1nc(C(C)(C)C)ccc1C#N 613896863 UUSRQFJYMVJIMW-OCCSQVGLSA-N 271.408 3.876 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)N1CCC[C@@](C)(C#N)C1 614943453 DPXBWINYWROXJJ-KRWDZBQOSA-N 296.374 3.634 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc([C@@H]3CCOC3)c2)C1 617781402 LNXDGKAYNOEQNO-MAUKXSAKSA-N 299.414 3.619 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 617786047 SQRNQWLRMFIGJJ-KRWDZBQOSA-N 271.404 3.824 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(C)c1)CC2 618192356 LCIFWRBTYIJYHO-LJQANCHMSA-N 276.383 3.952 30 20 CHED C=CCC1(NC(=O)c2noc3c2CCCCC3)CCCC1 619111080 OTIADHKSBHECDK-UHFFFAOYSA-N 288.391 3.562 30 20 CHED C=CCCOCCCCC(=O)N1[C@@H](C)CCC[C@H]1CC 620577778 NQMXEIALFWVPEM-JKSUJKDBSA-N 281.440 3.929 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C2CC2)C2CC2)c1 626355964 KXYXYQWYBIGFNN-UHFFFAOYSA-N 286.375 3.800 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)c1cnc(C)nc1C 637930402 XHZDKUCXNHANCH-OAHLLOKOSA-N 281.403 3.843 30 20 CHED C=CCC(C)(C)CNC(=O)N1C2CCCC1CCC2 644971574 LNQJOKHTWBRCBD-UHFFFAOYSA-N 264.413 3.705 30 20 CHED C=CCSc1nc2cc(Cl)ccc2c(=O)n1C(C)C 645184890 SBWARZIHEGUKSM-UHFFFAOYSA-N 294.807 3.909 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCO[C@@H](C)C1 657530485 PZISXYGRCPJGPQ-JJXSEGSLSA-N 251.414 3.526 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 660107235 OHFJCLGMKHOGBI-WDEREUQCSA-N 277.330 3.778 30 20 CHED C=CCCNC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 661571426 VFUZHPQKHAEJIG-MRXNPFEDSA-N 274.408 3.534 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C)c(F)c2)C1 665162597 WIQQYHBETCIABK-CYBMUJFWSA-N 276.355 3.954 30 20 CHED O=C(NO)c1ccc(Oc2cc(Cl)ccc2Cl)cc1 671996703 VFDLSXPSDZDMQF-UHFFFAOYSA-N 298.125 3.905 30 20 CHED C=CCC[C@@H](Nc1cccc(CN2CCCC2=O)c1)C1CC1 679006050 RWCITZLICQHRNG-GOSISDBHSA-N 298.430 3.966 30 20 CHED C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2C(F)(F)C1 682382228 ILUDBTJYQAPQHQ-HNNXBMFYSA-N 279.330 3.723 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCc2c(F)cc(F)cc21 684891261 UIHWHJUJHZWECG-IAQYHMDHSA-N 251.320 3.896 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(CC)C1CCCC1 685548616 HQZOHSOGQXAUEQ-CYBMUJFWSA-N 276.428 3.747 30 20 CHED C[C@H](C#N)OCCNc1ccc(SC(F)(F)F)cc1 690219010 CXGUBFHALGTWLH-SECBINFHSA-N 290.310 3.639 30 20 CHED Cc1cccc(C(=O)Nc2cc(F)cc(C#N)c2)c1Cl 720284309 RGNYJJFYRNIVRW-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@H](CC(=O)OCc1ccccc1C#N)c1ccccc1F 726841776 FBFKJYXZZFBXMQ-CYBMUJFWSA-N 297.329 3.934 30 20 CHED C/C(=C\C(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 729448584 WIWOQLZSDKRMHA-FYWRMAATSA-N 284.403 3.878 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1CCc2ccc(C)cc21 730147216 NFLRLNJNIBZRIY-ZVCOJXFSSA-N 281.355 3.816 30 20 CHED Oc1ccccc1/C=N\Cc1ccccc1CN1CCCC1 730549309 GAXVGXWOBHBNRX-ZHZULCJRSA-N 294.398 3.607 30 20 CHED CC[C@@H](C)NC(=S)Nc1ccccc1SCCC#N 730953066 LYZQCIVDINGKIE-LLVKDONJSA-N 293.461 3.777 30 20 CHED Cc1ccc(C=NNc2ccc(Br)nc2)s1 732712648 DLGNVGVIAMJQIR-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(CC)C[C@H](C)C#N 735037262 IUKUWFRYHYZSLH-HUUCEWRRSA-N 266.429 3.991 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cccc(O)c1 739426293 SKHAWVVIEHLVCB-VURMDHGXSA-N 283.283 3.505 30 20 CHED C[C@H](NN=C1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 743435261 AIRSGFJDDBKEHS-BJJXKVORSA-N 272.392 3.528 30 20 CHED CC#CCOC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 744687610 OQNVOXUWVQDTSA-OAHLLOKOSA-N 295.382 3.894 30 20 CHED CCOc1ccc(/C=N\CC[C@@H](OCC)C(C)C)c(O)c1 746394057 NITFYUNUCLWRLA-ZCWPUFOUSA-N 293.407 3.661 30 20 CHED C[C@H](NN=Cc1c[nH]c2ccc(F)cc12)c1ccccc1 747049807 VWNCYRVSAWZXSN-LBPRGKRZSA-N 281.334 3.992 30 20 CHED CCc1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)s1 749015284 HNVICWZLRWQFGU-UHFFFAOYSA-N 296.395 3.601 30 20 CHED N#Cc1ccc(OC(=O)CC2CCCCCC2)cc1 750150353 AQHXEGIHBGGETK-UHFFFAOYSA-N 257.333 3.824 30 20 CHED C#C[C@@H](CC)NC(=O)c1cccc(N[C@H](C)C(C)C)c1C 754358399 ZICDFAWNAFIHLX-CABCVRRESA-N 286.419 3.593 30 20 CHED CC1CCC(COC(=O)c2cc(C#N)cs2)CC1 754844831 GGYLWDRVAWOBPP-UHFFFAOYSA-N 263.362 3.603 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc(F)c(Cl)c1 755813461 GUIJUIQPFKZBQF-ZDUSSCGKSA-N 271.719 3.746 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc(CC)cc1)OCC 756470383 KEIGZKSLHHARCG-MRXNPFEDSA-N 276.376 3.664 30 20 CHED C=C(C)[C@H](CC(=O)OC/C=C\c1ccccc1)OCC 756473511 SMMPAFRGVJFZIK-CLOOOTJHSA-N 274.360 3.614 30 20 CHED C#CC[C@H](NC(=O)NCCCCCC)c1ccccc1 757005688 KQTHWLQNFQUQGS-INIZCTEOSA-N 272.392 3.631 30 20 CHED C#CC[C@H](NC(=O)N1C[C@H](C)CCC[C@H]1C)c1ccccc1 757059381 RELDPSWBLOQWNA-NUJGCVRESA-N 298.430 3.971 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1F)c1ccncc1 758018355 UHCAXTVBBYLYRB-ZPUQHVIOSA-N 271.266 3.812 30 20 CHED CC(=NOCC(F)F)c1cc(C)ccc1OC(F)F 758912000 SIQYCXIUMGYIDZ-UHFFFAOYSA-N 279.233 3.602 30 20 CHED C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc[nH]1 760445392 NBMGYZHUTQDHNO-AWEZNQCLSA-N 283.375 3.548 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](CC)CC(F)(F)F)c1 760920027 YEHUZWKROHLORA-LLVKDONJSA-N 284.281 3.520 30 20 CHED C=CCCC(=O)COC(=O)CSc1ccc(Cl)cc1 761367617 VTJDHGNUUXADPD-UHFFFAOYSA-N 298.791 3.511 30 20 CHED Cc1cc2occ(CC(=O)OC3(C#N)CCC3)c2cc1C 762099418 ZTDFGAODCCZWOH-UHFFFAOYSA-N 283.327 3.582 30 20 CHED CCCCCCCCc1nc([C@]2(C)CCCO2)no1 763327515 XARLQJMRKYAIBS-HNNXBMFYSA-N 266.385 3.998 30 20 CHED N#Cc1cccc(NN=Cc2c[nH]c3cccc(F)c23)c1 763353454 DGKMVXJPIBNNBU-UHFFFAOYSA-N 278.290 3.625 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc(C)c(F)c1)OCC 766300079 VYGNGZCIAZBQDF-OAHLLOKOSA-N 280.339 3.549 30 20 CHED C[C@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1cccc(C#N)c1 766349914 KZYNCKCHWCSPKM-KBPBESRZSA-N 292.382 3.905 30 20 CHED Cc1cc(/C=C2/COc3ccccc3C2=O)ccc1C#N 766484724 QHJQRHHCAAWCHM-DHDCSXOGSA-N 275.307 3.525 30 20 CHED C#CCCCNc1ccc(F)cc1OCC(F)(F)F 766730242 UCQCFZAOLPQUGT-UHFFFAOYSA-N 275.245 3.592 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 767075795 ABPRSTOQBZUGKN-HNNXBMFYSA-N 291.822 3.827 30 20 CHED C=CC[C@H]1N(C(=O)/C=C\c2cccnc2)CCCC1(C)C 767218874 LTTGXQSVUMGROM-ZBTGYSDGSA-N 284.403 3.688 30 20 CHED CC(C)(C)CC(=O)OCc1ccccc1C(C)(C)C#N 767977135 IXQMFCJGZODTFS-UHFFFAOYSA-N 273.376 3.967 30 20 CHED CCCCN(Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 768291952 SGDBQIYPVLNYDV-AWEZNQCLSA-N 272.392 3.742 30 20 CHED COc1ccccc1NC(=S)NN=C(C)CCC1CC1 768763527 HNRIKNZYKUBDEL-UHFFFAOYSA-N 291.420 3.548 30 20 CHED C=CC[C@@H]1N(C[C@@H](O)c2ccccc2)CCCC1(C)C 769953753 PJSBFKOHBVUBNW-SJORKVTESA-N 273.420 3.787 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccsc2)ccc1F 770572836 LYXUEPOYFFBHCJ-DUXPYHPUSA-N 257.289 3.655 30 20 CHED CCC(CC)CNN=Cc1c[nH]c2ccc(OC)cc12 774477547 XNQRUVBIMXEAQJ-UHFFFAOYSA-N 273.380 3.536 30 20 CHED CC[C@@H](CC(=O)OCC1(C#N)CC1)c1ccc(C)cc1 775859935 PKUUQEXOORNVCP-AWEZNQCLSA-N 271.360 3.726 30 20 CHED Cc1cccc(-c2cncc(C(=O)OCC3(C#N)CC3)c2)c1 775870053 RFTGKPFHYSARFB-UHFFFAOYSA-N 292.338 3.518 30 20 CHED C#CC[C@H](OC(=O)CCc1ccc2[nH]ccc2c1)C(C)C 776092694 IOFPHWZMFSCCPL-KRWDZBQOSA-N 283.371 3.692 30 20 CHED O=C(/C=C\c1cc(F)cc(Cl)c1)c1ccco1 776720682 STWIRJMIIAXLPU-ARJAWSKDSA-N 250.656 3.968 30 20 CHED Cc1cc(C#N)ccc1CON=Cc1cccc(F)c1 776743917 WDTPMCSHHXFRPR-UHFFFAOYSA-N 268.291 3.557 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)Cc1ccccc1CC#N 777308219 BVSVLQDCXAXVFD-ZDUSSCGKSA-N 298.411 3.576 30 20 CHED C=CCCOC(=O)CCCCC(=O)c1ccc(F)cc1 778567162 ORLCUKHCDXHHHN-UHFFFAOYSA-N 278.323 3.688 30 20 CHED Cc1cccc(C(=O)OCCCC(C)(C)C#N)c1C 782023332 IAYHFCFADIEWQA-UHFFFAOYSA-N 259.349 3.790 30 20 CHED CCCCC[C@@H](C)CC(=O)N1CCC(CC#N)CC1 782052767 FSWSNBCHHZLFND-CQSZACIVSA-N 264.413 3.745 30 20 CHED Cc1cc(COC(=O)CCc2ccccc2F)ccc1C#N 782080373 KZWZCAUVRUQPIZ-UHFFFAOYSA-N 297.329 3.682 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)[C@@H]1CCCCS1 783224242 JJBCALMZVAORQM-AWEZNQCLSA-N 294.803 3.520 30 20 CHED C=Cc1ccc(C(=O)OCc2ccc(C#N)cc2OC)cc1 785630614 IWKHSXUFMVUXPP-UHFFFAOYSA-N 293.322 3.567 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc(C)cc1C 785752627 DAPUDJCBZYMQCB-KRWDZBQOSA-N 274.360 3.632 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCCC(C)(C)C2)c1 785836125 TVPQUIMXJIUDTD-HNNXBMFYSA-N 270.376 3.758 30 20 CHED C=C[C@@H]1CCCCN1C[C@@H](O)c1ccc(C(F)(F)F)cc1 785998617 JGROPCDTVLKDTA-HUUCEWRRSA-N 299.336 3.779 30 20 CHED C#CC[C@H](NC(=O)c1c(C)oc(C)c1C)c1ccccc1 786464223 XKUSKMDUTDFJHI-INIZCTEOSA-N 281.355 3.699 30 20 CHED C=CCC[C@@H](CC)Nc1cccc(CCC(=O)OC)c1 786577883 RTDSWWMCHSQZQV-OAHLLOKOSA-N 275.392 3.949 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 787682570 YPCCLVDUCDPSPQ-MRVPVSSYSA-N 273.163 3.502 30 20 CHED C(=NNCCCc1ccccc1)c1cc2ccccc2[nH]1 788427105 GHAXBDFGCBJHMR-UHFFFAOYSA-N 277.371 3.724 30 20 CHED C(C[C@H]1CCCCC12OCCO2)=NOCc1ccccc1 788709788 OWWGANYWQKCFDN-MRXNPFEDSA-N 289.375 3.512 30 20 CHED C#CCOc1ccc(F)cc1NCCCCOC(C)(C)C 788797615 OECIGAAPEDOIGC-UHFFFAOYSA-N 293.382 3.845 30 20 CHED C[C@H](C#N)CNN=Cc1c[nH]c2cc(Cl)cc(Cl)c12 790172938 ZMDITEYGIVEQTD-MRVPVSSYSA-N 295.173 3.558 30 20 CHED CC(C)[C@H](C=NNc1ccc(C(=O)O)cn1)c1ccccc1 794525686 FPZNGRHWYNMUFJ-HNNXBMFYSA-N 297.358 3.617 30 20 CHED COc1ccc(NN=C2CCC[C@@H](C(C)C)C2)nc1 794534808 DNDNMSPKIBUYTQ-GFCCVEGCSA-N 261.369 3.704 30 20 CHED CSCCON=Cc1ccc(F)c(Cl)c1Cl 794573519 DXSCGOWCMLICTN-UHFFFAOYSA-N 282.167 3.846 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](C)CC[C@@H]1c1ccccc1 795136301 MWVQQLPYRDCCOV-GOEBONIOSA-N 288.460 3.910 30 20 CHED N#CC[C@H](CC(=O)OCc1ccc(F)cc1)c1ccccc1 795990466 LALSXDUTCKAAPK-MRXNPFEDSA-N 297.329 3.956 30 20 CHED CCCCCCC(=O)Nc1cc(C#N)ccc1NCC 797162281 URGHYWOIYPUJOA-UHFFFAOYSA-N 273.380 3.899 30 20 CHED C=CCCCCCOC(=O)c1cc2ccccc2c(=O)o1 797481286 CTABZZKJGCVLDD-UHFFFAOYSA-N 286.327 3.696 30 20 CHED CCC1(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797570586 IDOHYMKDVUYPOW-SNVBAGLBSA-N 276.405 3.807 30 20 CHED Cc1cc(CN(CCC#N)Cc2ccco2)cc(Cl)n1 797588996 LIJLAMYEJDTNJH-UHFFFAOYSA-N 289.766 3.552 30 20 CHED N#CCCCCOC(=O)c1ccc(Oc2ccccc2)cn1 799553478 FBDGADTZRGMMNC-UHFFFAOYSA-N 296.326 3.725 30 20 CHED COc1ccc(NN=C(C)c2c(C)cc(C)cc2O)cc1 799884385 CXZCERDXGSWCEV-UHFFFAOYSA-N 284.359 3.854 30 20 CHED CCCCCOc1ccc(C(=O)/C=C/c2cn(C)cn2)cc1 800793485 RMPGKTARWKOXKZ-DHZHZOJOSA-N 298.386 3.885 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C)cc(C)n1 800968376 MHDPPAXWWWKOIK-UHFFFAOYSA-N 294.398 3.917 30 20 CHED CCc1ccc2occ(C(=O)OCC3(C#N)CCC3)c2c1 802766099 XQUJREXTNCYNIS-UHFFFAOYSA-N 283.327 3.846 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1cc2ccccc2o1 802797932 OSEOKTUHPICOET-MEDUHNTESA-N 271.316 3.977 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1sccc1Cl 803769523 RQDQCTUMWCBNPK-UHFFFAOYSA-N 295.722 3.769 30 20 CHED Cc1ccc(CCNc2nc(Cl)c(C#N)s2)c(C)c1 804378177 FGAJPRNKHGPTAW-UHFFFAOYSA-N 291.807 3.940 30 20 CHED N#Cc1sc(NCCCNc2ccccc2)nc1Cl 804404871 BBTVDMRZVXBARJ-UHFFFAOYSA-N 292.795 3.582 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(C(C)(C)C)cc1 806096471 BXZZRQJLXNLPMU-ZDUSSCGKSA-N 258.365 3.517 30 20 CHED C[C@H]1C[C@H](NCC(C)(C)CCC#N)c2c(O)ccc(F)c21 806176577 MZYQMQVXEFLWQF-AAEUAGOBSA-N 290.382 3.999 30 20 CHED Cc1cnc(COc2cc(Cl)cc(C#N)c2)s1 806584937 AOQVQTPEPLXLMO-UHFFFAOYSA-N 264.737 3.556 30 20 CHED C#CCCCS[C@@H](C)C(=O)Nc1ccccc1SC 808361997 CRXHQZZCIASDFU-LBPRGKRZSA-N 293.457 3.882 30 20 CHED C#Cc1ccc(CNCc2cccc(Cl)c2)cc1 809602451 YRPWGURQNRYTNI-UHFFFAOYSA-N 255.748 3.611 30 20 CHED C#Cc1ccc(CNc2cc(C)n([C@@H](C)CC)n2)cc1 809631761 HOHGBDQBFXPBCU-ZDUSSCGKSA-N 267.376 3.756 30 20 CHED C#C[C@@H](NCc1cc(-c2ccncc2)ccc1OC)C(C)C 809685595 DBQKBMITUHXWPW-GOSISDBHSA-N 294.398 3.505 30 20 CHED C#C[C@H](N[C@H]1CC[C@H]1C)c1ccc(Cl)cc1F 809699557 SZBWZHVTHPFBBX-IIMNLJJBSA-N 251.732 3.542 30 20 CHED C#CCC(C)(C)C(=O)OCc1cc2c(Cl)cccc2[nH]1 810607913 CYRUYBOYQQRJEV-UHFFFAOYSA-N 289.762 3.914 30 20 CHED FC(F)(F)[C@H]1CCCC(=NOC/C=C/Cl)C1 811668553 PRNMSBNHOYYVPY-ZFKCUUKRSA-N 255.667 3.864 30 20 CHED C=CCCCCCCCNC(=S)NC1(C)CC1 811701755 GRDXEQCNJVURJN-UHFFFAOYSA-N 254.443 3.530 30 20 CHED C=CCCCCCCCNC(=O)N(C)Cc1cccn1C 811927508 UOYJFDADIGYVOO-UHFFFAOYSA-N 291.439 3.693 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 814124604 DMLDWGBUCAGTPM-ZDUSSCGKSA-N 274.408 3.532 30 20 CHED Cc1sccc1C=NNCc1ccccc1Cl 814812720 KDTUFFNZWQGXAS-UHFFFAOYSA-N 264.781 3.834 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NOCC(C)C)C1 814883784 AFLRVKWADSRQEY-ZDUSSCGKSA-N 269.385 3.549 30 20 CHED FC(F)(F)c1ccccc1ON=Cc1nccs1 814888025 OYOOHACBTDMLRY-UHFFFAOYSA-N 272.251 3.575 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H](C)C1CC1 819736684 MZMBQKNRZZDLTM-OLZOCXBDSA-N 270.376 3.514 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1ccc(OC(C)C)cc1 819814935 ITEDWXAWYRNGIJ-OAHLLOKOSA-N 297.402 3.944 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](O)c1ccsc1 823911831 WGBZXSYPMRDPBL-OCCSQVGLSA-N 253.411 3.506 30 20 CHED CC1(C)CC(C(=O)N2CCC(C#N)CC2)CC(C)(C)C1 824714967 WYRHAHWFINGCSP-UHFFFAOYSA-N 276.424 3.601 30 20 CHED C#CCCCCCC(=O)Nc1nc(-c2ccncc2)cs1 831547353 XBIXYBBECARPBM-UHFFFAOYSA-N 299.399 3.727 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 834883644 NVPCACSQCKAWLW-CYBMUJFWSA-N 288.391 3.506 30 20 CHED C#Cc1cccc(CN[C@H]2CCc3c2ccc(OC)c3F)c1 834901620 AGZZWUPXQWAYAP-KRWDZBQOSA-N 295.357 3.593 30 20 CHED C#CCCCCCC=Nn1c(S)nnc1-c1ccccc1 834923818 UEENIDDNKJKZAL-UHFFFAOYSA-N 298.415 3.651 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(OCC)ccc1Cl 836721547 PVIVHVREQQFVPX-UHFFFAOYSA-N 289.162 3.613 30 20 CHED C#CCCCCNC(=O)Nc1cc(OCC)ccc1Cl 836722511 ZYJRVKHQWUFDMO-UHFFFAOYSA-N 294.782 3.664 30 20 CHED Cc1ccc(C[C@H](C)C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 839049619 HMHJOWSDCRAXJF-USXIJHARSA-N 285.387 3.799 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(Cl)cs2)C1 839060476 VIMSSCXWQGNJMQ-WPRPVWTQSA-N 269.753 3.641 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC3(CCCCC3)C2)cc1 839132819 RQPAQLGUCHWSRK-HNNXBMFYSA-N 284.403 3.744 30 20 CHED C=CCN(C(=O)Nc1ccc(OC)c(SC)c1)C(C)C 839162783 FXKIGYYWAXYJDH-UHFFFAOYSA-N 294.420 3.845 30 20 CHED COc1cc(C=NOCc2ccccc2)cc(Cl)c1O 839419440 FWASXZXODOWZHE-UHFFFAOYSA-N 291.734 3.605 30 20 CHED C[C@@H]1CC[C@H](C/N=C\c2c(O)ccc3ccccc23)O1 840710773 SAICPYMPXGJODV-SEDDXWAVSA-N 269.344 3.532 30 20 CHED CC(=NNc1cccc(Cl)c1Cl)[C@@H]1CCOC1 841646162 WXPXZLSMNURTCT-SECBINFHSA-N 273.163 3.818 30 20 CHED C#C[C@@H](OC(=O)CCC)c1cccc(C(F)(F)F)c1 842407993 FESMJZQDCBFDMV-GFCCVEGCSA-N 270.250 3.723 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](CCC)c1ccc(F)cc1F 845629739 XCISCPBFWRFVQB-YGRLFVJLSA-N 298.333 3.611 30 20 CHED C[C@H](NC1(C2CCC2)CC1)c1ccc(OCC#N)cc1 846199727 CCXBWFZDNYUFQG-ZDUSSCGKSA-N 270.376 3.572 30 20 CHED CCCCCCC[C@H](C)CNC(=N)N(CC)CC 849065570 PWPVKSWBDCXPBF-AWEZNQCLSA-N 255.450 3.849 30 20 CHED C[C@H](OC(=O)c1ccccc1CC#N)c1ccccc1 849211290 YVDSVWHGIDJTOW-ZDUSSCGKSA-N 265.312 3.671 30 20 CHED Clc1ccc(OCCON=Cc2cccs2)cc1 852100998 MFMHHIJOVVBERN-UHFFFAOYSA-N 281.764 3.831 30 20 CHED Cc1ccc(OCCON=Cc2ccc(F)cc2)cc1 852156729 VMHXWIYNJQIVGE-UHFFFAOYSA-N 273.307 3.564 30 20 CHED Cn1ncc(C2CC2)c1C=NNc1cccc(Cl)c1F 853296501 FPDUUAXUKPXBMN-UHFFFAOYSA-N 292.745 3.536 30 20 CHED CCO[C@@H]1CC(=NNc2ccnc(Cl)c2)C12CCCC2 853394796 ZNZWBZDTENOFKP-CYBMUJFWSA-N 293.798 3.872 30 20 CHED CC(C)O[C@@H]1CC(=NNc2ccnc(Cl)c2)C1(C)C 853394899 CLOVGLJBRVWYCP-GFCCVEGCSA-N 281.787 3.726 30 20 CHED Cc1ccc(NN=Cc2ccc(N3CCCC3)nc2)cc1F 853438661 JDUPJIIQJFGDOD-UHFFFAOYSA-N 298.365 3.575 30 20 CHED N#Cc1ccc(OC(=O)C2CCC3(CC2)CC3)c(F)c1 857598789 WPGBECHYKDOPTF-UHFFFAOYSA-N 273.307 3.573 30 20 CHED Cc1ccccc1SC[C@@H](C)CN(C)CCC#N 859161563 PHXZOMYMDJHMKU-ZDUSSCGKSA-N 262.422 3.569 30 20 CHED C=CCCCC(=O)N[C@@H]1CCc2ccc(Cl)cc21 863639070 XHTZSIXZKGXTBM-CQSZACIVSA-N 263.768 3.800 30 20 CHED C#CCCCCCCNc1ccc([S@@](C)=O)c(F)c1 876868339 ZFMMOIDYUZTURR-LJQANCHMSA-N 281.396 3.559 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(C)c1snc(C)c1C#N 891427092 YAFHHZFHUOUUNE-VXGBXAGGSA-N 291.420 3.502 30 20 CHED C=C(C)[C@H](NCC1CCN(C)CC1)c1ccc(F)c(F)c1 893668853 ROLRVKDVJHZLCV-KRWDZBQOSA-N 294.389 3.513 30 20 CHED Cc1nc(CNCc2ccc(C#N)c(Cl)c2)sc1C 894270610 GEZMEYCFUFJXFA-UHFFFAOYSA-N 291.807 3.575 30 20 CHED COc1ccc2cc(CN3CCC[C@H](C#N)C3)ccc2c1 896503489 PUSPDHQYRCFGCW-OAHLLOKOSA-N 280.371 3.584 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1cccc(F)c1 899336348 UGYWYDITWHJNBB-BQYQJAHWSA-N 270.307 3.643 30 20 CHED Cc1cc(C)c(/C=C/C=C2/C(=O)c3ncnn3[C@H]2C)cc1C 905083159 BWQIEHRBIRYEMZ-SIHTYFDNSA-N 293.370 3.600 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1C)c1ccncc1 906100586 YLVKTQPHPLRDSM-UHFFFAOYSA-N 293.370 3.709 30 20 CHED CC(C)c1cc(C(=O)OCCCCC2(C#N)CCC2)on1 909010970 MBCJOGAONNJALL-UHFFFAOYSA-N 290.363 3.819 30 20 CHED COc1cccc(/C=N\C[C@@H]2CCCc3ccccc32)c1O 912961569 BRZVOUJMFCAPRS-HYTQYMIGSA-N 295.382 3.940 30 20 CHED Cc1ccc(CC/N=C\c2cc(Cl)ccc2O)o1 915115108 XFBDRZFNRSCKBI-SXGWCWSVSA-N 263.724 3.609 30 20 CHED CCc1ccccc1NN=C(C)c1ccc2c(c1)CC(=O)N2 915959913 UYFUQIVADQJIRR-UHFFFAOYSA-N 293.370 3.580 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC)cc1)C(C)C 916704951 HYSQUSGTXWPSRD-UHFFFAOYSA-N 262.353 3.514 30 20 CHED CCCC(=O)[C@@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 916955482 RBYVRSNQZANZNU-IUODEOHRSA-N 286.375 3.648 30 20 CHED CCCCCCCC(=O)N(C)Cc1cccc(O)c1 918333219 BFLVMCKZIKPKMY-UHFFFAOYSA-N 263.381 3.711 30 20 CHED C#CCN(CC)C(=O)NC[C@H](C)CCCCCCC 919910089 LNOWDXQGEKUANI-OAHLLOKOSA-N 266.429 3.648 30 20 CHED Cc1cc(C)nc(NN=C2CCc3c(Cl)cccc32)n1 921254210 OGCIVBKXZWXTJL-UHFFFAOYSA-N 286.766 3.509 30 20 CHED COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)cc(OC)c1 921263933 LILGAVTUSLVFTM-CHHVJCJISA-N 294.350 3.835 30 20 CHED Cc1ccccc1C1(C(=O)N2CCC[C@H](C#N)C2)CCCC1 928214983 GRRZJESMODAFLE-MRXNPFEDSA-N 296.414 3.569 30 20 CHED C=CC1CCN(C(=O)C2(c3ccccc3OC)CCC2)CC1 1116026908 RYYXUPFJIWAGEQ-UHFFFAOYSA-N 299.414 3.542 30 20 CHED C=C(C)CCC(=O)NCCC1CCC(F)(F)CC1 1120785927 PQIFXHSLLNEPIE-UHFFFAOYSA-N 259.340 3.675 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCCc1sccc1C 1121252973 KNYBYRDUOXSVAS-ZDUSSCGKSA-N 278.421 3.530 30 20 CHED COc1ccc2oc(C(=O)O[C@H]3CC[C@H](C#N)C3)c(C)c2c1 1122638989 CGNIEAGMTSGEAS-AAEUAGOBSA-N 299.326 3.599 30 20 CHED Cc1csc(CNC(=O)c2ccc(Cl)c(C#N)c2)c1 1129062794 WYDWCEQICLMQQG-UHFFFAOYSA-N 290.775 3.512 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNc1cc(C#N)nc(C)n1 1163499236 BOBUHUOUOHUUMW-ZIAGYGMSSA-N 272.396 3.675 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1cccc(F)c1C#N 1180139519 CDABILREILNGKK-QGZVFWFLSA-N 294.329 3.804 30 20 CHED CCO[C@H]1C[C@@H](Nc2cc(C)c(C#N)cn2)C1(CC)CC 1185543896 MMIDDTJJVAGKCS-CABCVRRESA-N 287.407 3.657 30 20 CHED CO[C@H]1CCC[C@@H](Sc2nc(C)cc(C)c2C#N)C1 1188086223 YWRAWZAIIQURRI-QWHCGFSZSA-N 276.405 3.620 30 20 CHED CC(=NNCc1ccc(F)cc1)c1cccc(F)c1F 1254197367 YMUMEAUYMAIQEI-UHFFFAOYSA-N 278.277 3.618 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc([C@H]2CCOC2)c1 1262810116 YCTFGZOQQRTOBK-ZWKOTPCHSA-N 299.414 3.761 30 20 CHED C[C@@H]1C[C@H](OC(=O)C2(C#N)CCCC2)CC(C)(C)C1 1287288884 IYPWAVZPHFQCBV-OLZOCXBDSA-N 263.381 3.828 30 20 CHED CN(Cc1ccco1)c1c(Br)cccc1C#N 1306910478 CULVRQAGHVHCSR-UHFFFAOYSA-N 291.148 3.550 30 20 CHED CC[C@H](C)N(C(=O)CC#Cc1ccccc1)[C@@H](C)CC 1321214741 FJBSNQSHQFWUJA-HOTGVXAUSA-N 271.404 3.854 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(F)c1 1322617287 WSRXIGMBTHMAPU-HOSYDEDBSA-N 266.747 3.822 30 20 CHED CC(C)C[C@@H]1CCCCN1c1cccc(CC#N)n1 1324085409 OVFSDKQOFMTGGK-HNNXBMFYSA-N 257.381 3.553 30 20 CHED COc1cc(/C=C2\Cc3ccc(C#N)cc3C2=O)ccc1F 1324221345 UTBPAZNTWLBJIZ-MKMNVTDBSA-N 293.297 3.528 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(Oc2ccccc2)cn1 1326622210 FKVZQJOYCKTABY-LSDHHAIUSA-N 298.386 3.726 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C(C)(C)C)nn1C 1330693868 XSHGCJOZUPRAIW-UHFFFAOYSA-N 292.427 3.584 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 1332609294 ITYVZYWOUXEBMI-CVEARBPZSA-N 282.387 3.519 30 20 CHED C=C(C)CCC(=O)Nc1sc(C)c(CC)c1C#N 1337105361 ONZLUPJYADLVTH-UHFFFAOYSA-N 262.378 3.785 30 20 CHED CCNc1ccc(Cl)cc1C(=O)O[C@@H]1CC[C@H](C#N)C1 1342602030 RWRHAAZWHPWJDZ-CMPLNLGQSA-N 292.766 3.621 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)Cc1nc2ccccc2s1 1348718072 KTFDCDJKWBLCFG-LBPRGKRZSA-N 288.416 3.700 30 20 CHED Cc1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c2ccccc12 1357676409 JWBLTCWKMSGGDH-KGLIPLIRSA-N 279.339 3.997 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccccc1CC#N 1445335605 XMVIRHFKFWXJNA-CJNGLKHVSA-N 284.403 3.697 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CN=c1cc[nH]cc1C#N 1458141979 IFRIFGNKUJSHCO-UKRRQHHQSA-N 271.408 3.640 30 20 CHED COc1ccc([C@H](C)OC(=O)c2ccsc2C#N)cc1 1521045103 WKUWHODEAMJGRN-JTQLQIEISA-N 287.340 3.546 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2ccc(F)c(C#N)c2)[C@@H]1C 1521313861 SVHZQDYCRGQVCC-UEKVPHQBSA-N 275.323 3.679 30 20 CHED Cc1oc(C(C)C)nc1C(=O)O[C@H](CC#N)c1ccco1 1526992883 OTRPRWWUVJDZPO-GFCCVEGCSA-N 288.303 3.511 30 20 CHED C[C@H]1CC(C(=O)Nc2cc(F)cc(C#N)c2)C[C@H](C)C1 1535371891 QNXIXMQSSJRVFX-GHMZBOCLSA-N 274.339 3.708 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1539773474 ZYWAAEDVQCECTQ-TXEJJXNPSA-N 296.846 3.636 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc(CC#N)c1 1543578664 HOUGWULHHFUHPD-ZDUSSCGKSA-N 296.345 3.709 30 20 CHED COc1ccc(C#N)cc1CN(C)c1ccc(C)cc1F 1559908919 GYVMGDIMYHGRKW-UHFFFAOYSA-N 284.334 3.651 30 20 CHED Cc1cc(C)c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)s1 1583565800 LRTYMKFGFARXHX-VXGBXAGGSA-N 263.362 3.604 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)c1ccc(C(F)F)cc1 1583641287 VFBYBVGJTXMGDA-UHFFFAOYSA-N 298.292 3.699 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2oc(C(=O)O)cc2c1 1588681618 BJFQZDLLJJAEQB-MRXNPFEDSA-N 287.315 3.672 30 20 CHED CCc1ccc(N[C@H](C)c2cccc(C#N)c2)c(C(=O)O)c1 1597551105 BGTXIKLXPRVQIK-GFCCVEGCSA-N 294.354 3.992 30 20 CHED N#Cc1ccc(Oc2cc(C3CC3)ncn2)c(Cl)c1 1611747526 TZHFTLVERIACHF-UHFFFAOYSA-N 271.707 3.671 30 20 CHED Cc1cc(NC[C@H](Nc2ccccc2)C(C)C)ncc1C#N 1611770538 YJWYULNXPTUZPL-KRWDZBQOSA-N 294.402 3.810 30 20 CHED Cc1nc(N[C@H]2CCC[C@H](C(C)C)C2)ccc1C#N 1639443717 XWSZVGVSWMIEOA-ZFWWWQNUSA-N 257.381 3.888 30 20 CHED CC(C)CN(Cc1ccccn1)c1cccc(F)c1C#N 1640437912 BKYHTYBEIXEKTO-UHFFFAOYSA-N 283.350 3.755 30 20 CHED N#Cc1ccc(CCSc2ccc(C#N)cc2)cc1 1651771042 BLMNASBCPILRAN-UHFFFAOYSA-N 264.353 3.765 30 20 CHED C[C@H]1CC[C@H](c2ccccc2)N(c2ccnc(C#N)c2)C1 1651835613 INCAQKOXTFBBHN-KBXCAEBGSA-N 277.371 3.931 30 20 CHED N#Cc1cccc(NC2CCc3ccccc3CC2)c1 1655987853 DHNGCXZDXJODOV-UHFFFAOYSA-N 262.356 3.918 30 20 CHED CN(Cc1ccc(C#N)cc1)CC(C)(C)Oc1ccccc1 1657421015 MQHVSHVVXOTPJK-UHFFFAOYSA-N 294.398 3.848 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](C#N)C2)CC1 1680353313 ZWKUYIAVWXBVIZ-OAGGEKHMSA-N 291.439 3.536 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)NCC(C)(C)CC#N)CC1 1681627067 ZEDYLBVVCUWOMF-GJZGRUSLSA-N 293.455 3.830 30 20 CHED C=C(C)CCC(C)=NNc1cccc(C(=O)O)c1C 1776089132 CTSHQHYSUBLZBH-UHFFFAOYSA-N 260.337 3.837 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@H]2CCC=CCCC2)CC1 1776159030 FPSVGMFCAACDAW-INIZCTEOSA-N 291.435 3.866 30 20 CHED C=C(C)CNC(=S)Nc1ccc(N2CCCCC2)cc1 6332409 TXHIUSAEQUUYDX-UHFFFAOYSA-N 289.448 3.539 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)[C@H](C)C1CCCCC1 178005601 LJAKVCQFRPWQEB-UONOGXRCSA-N 276.424 3.791 30 20 CHED N#CCCSc1ccccc1NC(=O)Nc1ccccn1 108431335 UVTDWOQGGOQUDH-UHFFFAOYSA-N 298.371 3.731 30 20 CHED COc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1 23053443 OWMSRUJURCVFLS-JLHYYAGUSA-N 298.313 3.883 30 20 CHED C=CCCCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 175838653 RPYGQWXIEARIMQ-CQSZACIVSA-N 270.376 3.824 30 20 CHED C=CCCCCCCNC(=O)c1cccc(Cl)n1 310646024 VXJAXGARXSCSPU-UHFFFAOYSA-N 266.772 3.601 30 20 CHED N#CC1(CC[S@@](=O)c2ccc(Cl)cn2)CCCCC1 414250416 XSNGHDPNUKQRDP-LJQANCHMSA-N 296.823 3.707 30 20 CHED Cc1ccc(Cl)c2ccc(N(C)CCC#N)nc12 301994213 ORRAHHRDJXVULC-UHFFFAOYSA-N 259.740 3.547 30 20 CHED C=CCCCOC(=O)CCn1ccc2ccccc21 303687135 KTQZITRNWYNZAX-UHFFFAOYSA-N 257.333 3.541 30 20 CHED CC[C@H](NCCCSCC#N)c1cc(F)ccc1F 179803309 IRUFEKULDZVEMP-AWEZNQCLSA-N 284.375 3.652 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2ccccc2c1 116996258 QFBBRGFLZCVDAT-LBPRGKRZSA-N 254.333 3.926 30 20 CHED Cc1ccc2cc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc2n1 179242231 WGIVQPIMVJSTFE-LBPRGKRZSA-N 282.343 3.638 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1F)Oc1cccc(F)c1 301477982 XHPLGGZTUJXVEQ-NSHDSACASA-N 288.297 3.716 30 20 CHED CCSCC[C@H](C)NC(=O)Nc1cccc(C#N)c1C 178543388 VGLAITHHVIXELD-NSHDSACASA-N 291.420 3.520 30 20 CHED C[C@]1(CO)CCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 301334132 CGCORQBJOPDRFL-UONOGXRCSA-N 298.308 3.540 30 20 CHED Cc1ncc(CNc2ccc(C#N)cc2Cl)s1 62791037 JGUFDMCZESXXHT-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CCN(Cc1ccns1)[C@H](C)c1ccc(C#N)cc1 602443164 GYLMROAWEYBCAO-GFCCVEGCSA-N 271.389 3.598 30 20 CHED CC1(C)CCC(Sc2nccc(C#N)c2[N+](=O)[O-])CC1 302775989 OPNPGHXAYPYLSD-UHFFFAOYSA-N 291.376 3.922 30 20 CHED Cc1ccc(N(C)C(=O)Cc2ccc(C#N)cc2)cc1Cl 172004596 RGBQGHDWTHYTME-UHFFFAOYSA-N 298.773 3.726 30 20 CHED CCC(CC)CN(CCC#N)C(=O)Nc1ccc(C#N)cc1 176338373 OSTBQWFYYIPOPZ-UHFFFAOYSA-N 298.390 3.742 30 20 CHED C#CCCCCNCc1cnc(C2CCCC2)s1 136335746 FABHMZRRJORVLT-UHFFFAOYSA-N 262.422 3.694 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cccc(-c3ccoc3)c2)C1 179887884 IMXBNGPRESBFDB-LRDDRELGSA-N 281.311 3.796 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]3OCCC[C@H]32)c(C(F)(F)F)c1 302528321 DPDZWJQKPUCQSS-GDLCADMTSA-N 296.292 3.556 30 20 CHED C[C@H]1CCN(C(=O)c2cccc(C#N)c2)c2ccccc21 31784119 BHQXRBCWZXVEKI-ZDUSSCGKSA-N 276.339 3.712 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccnc(SCC)c1 189082711 XRXCTCAKPXQFSX-UHFFFAOYSA-N 290.432 3.578 30 20 CHED C#CCCCC/N=C(\N)Nc1ccc([C@@H](C)CC)cc1 129160471 USBUKSODLGAJHL-AWEZNQCLSA-N 271.408 3.730 30 20 CHED N#Cc1ccc(N2CCc3cc(Cl)ccc3C2)cc1 302738419 XZFJZMCIWGRQQI-UHFFFAOYSA-N 268.747 3.774 30 20 CHED COC(=O)[C@H](C)CSCc1ccccc1C(C)(C)C#N 120677966 RQFRONKMFCGGQJ-GFCCVEGCSA-N 291.416 3.530 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@]1(C)C(C)C 185731815 MNXDNTBQTKMBFA-IEBWSBKVSA-N 296.414 3.755 30 20 CHED CC(C)[C@H](CNc1cccc(F)c1C#N)c1cccnc1 301599688 YNWARAMFTITUKI-HNNXBMFYSA-N 283.350 3.944 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(C)c1Cl 73345762 FCRZYGANIPECBC-LLVKDONJSA-N 267.756 3.568 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccnc1OC(C)C 124224450 TVZVPZYSYRMBLE-UHFFFAOYSA-N 274.364 3.576 30 20 CHED CC#CCCCC(=O)Nc1ccc(Cc2ccncc2)cc1 185110484 GZNMYOJTXXVGMJ-UHFFFAOYSA-N 292.382 3.805 30 20 CHED Cn1nccc1/C=C/C(=O)c1ccc(Cl)cc1Cl 31823905 OPLDHHQCIUQYBK-HWKANZROSA-N 281.142 3.623 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc2c1OCO2 508532745 UZSGNLVPICMRAG-UHFFFAOYSA-N 281.355 3.604 30 20 CHED Cc1nc(SCCC2(C#N)CCCCC2)[nH]c1C 413006153 XXRYTRYPBWACKP-UHFFFAOYSA-N 263.410 3.983 30 20 CHED CC(=O)c1ccc(OCc2cc(F)ccc2C#N)c(F)c1 122519146 LJDQTZAAMMOHCA-UHFFFAOYSA-N 287.265 3.618 30 20 CHED Cc1cc(C#N)cc(C)c1OCCOc1ccc(C#N)cc1 315782801 SBACPEVQMJIXTH-UHFFFAOYSA-N 292.338 3.505 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)c1cccnc1)c1ccccc1 187480113 MEDNCVVOYMZSGB-WMLDXEAASA-N 280.371 3.619 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(C#N)cc1 33935527 ZUASLGDHOZUTCI-SREVYHEPSA-N 253.326 3.824 30 20 CHED CCc1nnc(NC[C@@H]2CCCC[C@H]2C)c(C#N)c1CC 124945970 IDGCTAVRITZGPY-OLZOCXBDSA-N 286.423 3.711 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(-c3cnco3)cc2)C1 185718232 VLRXPNSGTWHIFW-DOMZBBRYSA-N 267.332 3.836 30 20 CHED C=CCCCC(=O)Nc1nc2c(Cl)cccc2n1C 184441624 DKXHGBLGVRLTMA-UHFFFAOYSA-N 277.755 3.522 30 20 CHED C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1ccc(C#N)cc1 187492975 JXVYEJAQBCUPHR-CHWSQXEVSA-N 280.375 3.899 30 20 CHED C=CCNC(=O)Nc1ccc(SC(C)(C)C)cc1 72085653 DJXROJXTNYNPTH-UHFFFAOYSA-N 264.394 3.885 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1cc(F)ccc1F 120215545 LWMXDGNYMYABCO-MNOVXSKESA-N 284.302 3.550 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)s2)n1 127014607 FJIBPACEEGYFID-INIZCTEOSA-N 283.400 3.660 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(OC(C)C)cc1 123375797 NFTUROAHXZJCFN-UHFFFAOYSA-N 290.407 3.581 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C2=CCCCC2)n1 124594020 XIAPJVQODXWDNL-GFCCVEGCSA-N 274.389 3.943 30 20 CHED CCN(Cc1cccc(F)c1)Cc1cc(C#N)cs1 120020397 DYXPYNTXRLJEGG-UHFFFAOYSA-N 274.364 3.781 30 20 CHED C=CCC1(C(=O)NCc2cc(C(CC)CC)no2)CCC1 188138053 CYKFLVBVMJBYSJ-UHFFFAOYSA-N 290.407 3.941 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1[C@@H](C)CC[C@@H]1C 413833546 KPVHSFUYEAVLHP-YQQAZPJKSA-N 286.419 3.756 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCc1ccoc1 412846717 XFUBUSYHAOKYCI-QGZVFWFLSA-N 283.371 3.516 30 20 CHED C=CCC[C@H](C)NCCc1nc(-c2ccccn2)cs1 186061780 BCSCJHUQJCLYPL-ZDUSSCGKSA-N 287.432 3.692 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc2cc(C)c(C)cc2o1 79602867 RGMVOIDEXFOYAO-LLVKDONJSA-N 284.359 3.671 30 20 CHED CC(C)(C#N)CCCOc1ccc(N2CCCC2)cc1 135510183 HMHPXGBHULBZPI-UHFFFAOYSA-N 272.392 3.996 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC2(CCC2)C1 187158742 MNGYLFQIHYEQEM-UHFFFAOYSA-N 260.768 3.588 30 20 CHED CSc1cccc(N(C)C(=O)c2cccc(C#N)c2C)c1 509510771 XZJYZZFGOPNJKJ-UHFFFAOYSA-N 296.395 3.865 30 20 CHED CCc1ocnc1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329611461 OBKDGHZTXMJHRC-QJPTWQEYSA-N 262.353 3.510 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)OCC(C)(C)CCC#N 195075307 VEBZJBMBEQDWNR-UHFFFAOYSA-N 298.386 3.892 30 20 CHED CN(CCC#N)Cc1ccccc1Oc1ccccc1 133268639 FUWIYSVFTWAIJA-UHFFFAOYSA-N 266.344 3.824 30 20 CHED CCSc1ccc(Cl)cc1C(=O)N(C)C[C@H](C)C#N 84181690 RRYDROSXYBADPI-SNVBAGLBSA-N 296.823 3.684 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCc3ccccc32)cc1 48709427 XWQSCLZMPWEAGV-SFHVURJKSA-N 276.383 3.768 30 20 CHED C=CCCCC(=O)Nc1cc(F)ccc1Br 176775925 DCCBRMBAXNITKN-UHFFFAOYSA-N 286.144 3.883 30 20 CHED CC(C)(CCC#N)CNCc1cc(F)cc(Cl)c1 342310190 IIUASFLUKAKXHA-UHFFFAOYSA-N 268.763 3.899 30 20 CHED CCC(CC)(CNCc1cc(C#N)cs1)SC 224164370 NFSFRCJMKBSPOG-UHFFFAOYSA-N 268.451 3.631 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C1CCCCC1 426016409 ILXBIGFNHZWUIE-DZGCQCFKSA-N 264.413 3.705 30 20 CHED C[C@@H](O)CN(CC#Cc1ccc(Cl)cc1)c1ccccc1 427018087 YUTIHNVIZREZGN-OAHLLOKOSA-N 299.801 3.579 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 86280061 DHFVNNIRHKPWSE-MRVPVSSYSA-N 286.162 3.759 30 20 CHED C#CCCCC(=O)N1CCCCC[C@H]1c1ccccc1 192199915 BHIVEQFCVSWKTB-KRWDZBQOSA-N 269.388 3.934 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](C)Cc1ccccc1Cl 131179235 UGBQWDUWZORXPB-QWHCGFSZSA-N 292.810 3.527 30 20 CHED C=CCCCCCN1CCN([C@@H](C)c2cccnc2)CC1 193356812 YUKGYGNWYWJIIO-KRWDZBQOSA-N 287.451 3.507 30 20 CHED C=CCC[C@H](NC(=O)C[C@@H](C)n1cccn1)c1ccccc1 424730848 FIDPNMJCOULNHL-WBVHZDCISA-N 297.402 3.658 30 20 CHED C[C@]1(C#N)CCCN(Cc2coc3ccccc23)C1 612405634 BNWSJIPJSKMSIE-MRXNPFEDSA-N 254.333 3.558 30 20 CHED CC(C)(C#N)CC(=O)Nc1cnc(-c2ccccc2)s1 519563444 GYZJONJOGCYJGV-UHFFFAOYSA-N 285.372 3.688 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cc(C)sc2C)n1 41518785 ANNZSJDZZSCYTJ-NSHDSACASA-N 276.386 3.620 30 20 CHED C#CCOC(=O)CCCc1cc(Cl)sc1Cl 88805031 BJJKFDPJTRORNT-UHFFFAOYSA-N 277.172 3.554 30 20 CHED CC[C@@H](Nc1ccn(CCC#N)n1)c1ccc(F)cc1F 86154805 DATBMQAUQPUKNO-CQSZACIVSA-N 290.317 3.638 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@H](Oc2ccccc2)C1 424667517 PMFAOZINOKJAIA-INIZCTEOSA-N 287.403 3.659 30 20 CHED N#CCCN(CC1CC1)C(=O)c1cc(Cl)cc(Cl)c1 264103800 ULIXXGOOCIDGQB-UHFFFAOYSA-N 297.185 3.759 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)cc1F 421406006 ZMYPNFKIDKWIRF-JCNLHEQBSA-N 298.336 3.872 30 20 CHED C=C[C@@H](C)N[C@@H]1CCc2cc(Br)cc(C)c21 381328085 RWDMTRBMXDVEGX-ZWNOBZJWSA-N 280.209 3.909 30 20 CHED Cc1cc(C)c(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)o1 429607449 VJTLCIIGZOUQRZ-GFCCVEGCSA-N 293.326 3.571 30 20 CHED CC(C)(C#N)CCCN1CC2(CCC2)[C@@H]1C1CCOCC1 425543085 AVZVDMPRAZMRNZ-INIZCTEOSA-N 290.451 3.597 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CC[C@H](C#N)C1 424189008 CVQRMDXHNZWPJQ-SMDDNHRTSA-N 282.309 3.796 30 20 CHED CCC1(CNC(=O)c2cccc(SCC#N)c2)CCC1 84256388 NFLKVCVSGZYFJT-UHFFFAOYSA-N 288.416 3.612 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)NCC#Cc1ccccc1 512046699 NTJRSPPEXNBFST-SJLPKXTDSA-N 298.430 3.554 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC[C@@H](C2CCCC2)C1 420854350 ZJPNEWGOUNZWCD-OAHLLOKOSA-N 291.439 3.538 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CCc2ccccc2C1 516870600 IGFMQRGCLMKDSO-KRWDZBQOSA-N 298.430 3.722 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1CCCC(F)(F)C1 336581016 GXUQCAUZLDSARR-LBPRGKRZSA-N 278.302 3.517 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCCC(C)(F)F 421192056 VHUNRMUGCJRZKI-UHFFFAOYSA-N 259.683 3.944 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)c(F)c2)c1C 428736464 HPEKBERBJGIPRE-UHFFFAOYSA-N 282.362 3.946 30 20 CHED Cc1ccc(N/C(O)=N/C[C@@H]2CCO[C@H]2C(C)C)cc1F 331150660 OHWJHTGLCJWGDA-WFASDCNBSA-N 294.370 3.521 30 20 CHED C=C(CNC(=O)N1CCCC[C@@H]1CC)c1ccccc1 512662732 ZWUYTHVAZGOAEY-INIZCTEOSA-N 272.392 3.674 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H](c2ccc(F)cc2)C1 93335763 MYCHIPKAJWBPHC-OAHLLOKOSA-N 274.383 3.945 30 20 CHED Cc1sc(NC(=O)c2ccoc2Cl)c(C#N)c1C 235969886 MROYTXMUSTWCRL-UHFFFAOYSA-N 280.736 3.735 30 20 CHED C=CCCOCCN[C@@H]1C[C@H](C)Sc2sccc21 90883963 OIONLBSQKNPCCB-WCQYABFASA-N 283.462 3.856 30 20 CHED CN(C(=O)c1ccc(-c2cccs2)o1)C1(C#N)CCC1 334829760 QGEHHULXZKCTFB-UHFFFAOYSA-N 286.356 3.526 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCCc2ccccc21 337772425 WAFZGILQOJZNMI-SFHVURJKSA-N 290.366 3.674 30 20 CHED N#Cc1cc(NC(=O)c2ccncc2Cl)ccc1Cl 91450601 AAJPUUOVLBDOKQ-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCOc1cc(C)ccc1NC(=O)C1(C#N)CCCCC1 98114792 JZQNQVNKGLJKTL-UHFFFAOYSA-N 286.375 3.806 30 20 CHED CCCC[C@@H](CC)NCc1ccc(OCC#N)cc1 180552832 KHFYRKIVXPXWLV-OAHLLOKOSA-N 260.381 3.647 30 20 CHED N#CCCN[C@H]1CCc2ccc(-c3ccccc3)cc21 516277829 LOHRIOJXEQPYDE-SFHVURJKSA-N 262.356 3.844 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCCC(F)(F)C1 334960904 CPCLGBCHBFZHQL-NSHDSACASA-N 278.302 3.631 30 20 CHED Cc1c(C(=O)N2CCC[C@H]2C)sc2ccc(C#N)cc12 336613287 OSYWAFBPNRJMQG-SNVBAGLBSA-N 284.384 3.706 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[C@H]1c1ccccc12 338490888 SSWBQXYAUSBXIY-LJHODMEESA-N 299.414 3.676 30 20 CHED CC(C)[C@@H](c1ccc(F)cc1)N(C)CC1(C#N)CC1 434617340 SVEBZZMLJWPPMA-HNNXBMFYSA-N 260.356 3.758 30 20 CHED Cc1ccc(C(=O)N(CCC#N)C(C)C)cc1C(F)(F)F 528325501 GUAPMTHIKPJIAT-UHFFFAOYSA-N 298.308 3.778 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(O)cc2Cl)no1 436875994 ZOMPGJHNWUVRFF-CQSZACIVSA-N 278.739 3.949 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2C)cc(OC)c1O 97993498 RCFZCYJNSYMWIN-HJWRWDBZSA-N 298.338 3.614 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](c1cccnc1)C(C)C 436048029 JEPOTGQNMOQYMF-ZBFHGGJFSA-N 274.408 3.682 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CC(c2ccccc2C)C1 436290462 YXUMXYZAZXIMPF-JIZBTBOESA-N 285.431 3.812 30 20 CHED C=CCC[C@H](NC[C@@H](c1ccccc1)N(C)C)C1CC1 439086088 PHMMIKIQQCBECB-ROUUACIJSA-N 272.436 3.624 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCc2sc(Cl)cc21 529398424 CBRSCTXPHNGSOT-JTQLQIEISA-N 296.823 3.835 30 20 CHED CC[C@H](C#N)OC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 245874985 HIDRGTSEODWDNT-BZUAXINKSA-N 295.423 3.987 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCCC1=CCCCC1 432255224 AULKMALUKXOUGF-UHFFFAOYSA-N 283.375 3.879 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1ccc(O[C@H](C)C#N)cc1 245782788 UPRAPOMURATILH-QAPCUYQASA-N 286.419 3.988 30 20 CHED Cc1ccc(OCCCNc2snc(C)c2C#N)cc1 342095828 MEFWNUHYLYAKGK-UHFFFAOYSA-N 287.388 3.513 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(F)cc3)[nH]c12 345395475 FICOYTKDQCNATD-CYBMUJFWSA-N 293.301 3.501 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2nccs2)C1 249037852 TWBFNUXAKAXXQL-BMFZPTHFSA-N 297.427 3.904 30 20 CHED C[C@H](SCC1(C#N)CC1)c1nc(-c2cccs2)no1 344460062 LASUWHQZDRHVKT-VIFPVBQESA-N 291.401 3.896 30 20 CHED Cc1ncc([C@H](C)N(C)[C@H](C)c2cccc(C#N)c2)c(C)n1 602691979 JWQAWALLZYKOOO-KGLIPLIRSA-N 294.402 3.719 30 20 CHED CCOC(=O)C[C@H](C)S[C@@H](C#N)CCc1ccccc1 601076176 FWMAATOGXPKCQG-DZGCQCFKSA-N 291.416 3.586 30 20 CHED C[C@@H](CCC#N)CN[C@@]1(C)CCCc2ccccc21 602547943 VBHYIPSXYBECFL-YOEHRIQHSA-N 256.393 3.768 30 20 CHED COc1ccc(C)cc1[C@@H](C)NC[C@H](C)CCC#N 602510264 GLUPEEIXXYMXGJ-ZIAGYGMSSA-N 260.381 3.594 30 20 CHED C=CCC(C)(C)c1noc(Cc2nc(C)sc2C)n1 340772079 JNWLNSOIAPWXEH-UHFFFAOYSA-N 277.393 3.587 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCc3ccc(C(F)(F)F)cc3C2)C1 602928478 OGBZURZFKITSMU-IAQYHMDHSA-N 294.320 3.756 30 20 CHED C=C(C)CCc1noc(-c2ccnn2C2CCCC2)n1 349772942 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261.409 3.618 30 20 CHED CN(CCCSc1cc(C#N)ccn1)c1ccccc1 567843311 VJDDYEHOQDTMPQ-UHFFFAOYSA-N 283.400 3.572 30 20 CHED C#C[C@H](NC1CC(C(F)F)C1)c1ccc(Cl)cc1 811517466 TVOJVDOTBKOYND-GDKBPFBDSA-N 269.722 3.648 30 20 CHED COc1cccc(-c2n[nH]cc2C=NNc2ccccc2)c1 814684422 SFABTNRLEBMURD-UHFFFAOYSA-N 292.342 3.531 30 20 CHED C#CCCCCCC(=O)N(C)Cc1c(F)cccc1F 818545974 RMBMOOCWALGLKE-UHFFFAOYSA-N 279.330 3.507 30 20 CHED Fc1ccc([C@H]2CCCC2=NNC[C@@H]2CCSC2)cc1 811660954 WWSCAQPDZQCORP-SWLSCSKDSA-N 292.423 3.792 30 20 CHED COc1cc(C=NOC/C=C\Cl)ccc1OC(C)C 811667658 ADOWUOHAOOELLY-PLBVDPBDSA-N 283.755 3.585 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NN=C1CCC[C@H](C#N)C1 814906560 ABPYYUAOAYOIMS-FUHWJXTLSA-N 283.419 3.913 30 20 CHED Clc1cccc(C#CCNc2cccc3c2CCO3)c1 480308125 GPEPJYRNQAPGQC-UHFFFAOYSA-N 283.758 3.739 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1OC 488869599 LUWCTCTXZVYQBW-GFCCVEGCSA-N 279.767 3.529 30 20 CHED C[C@H](NN=C1CCCc2ccc(N)cc21)c1ccccc1 814815085 MMEDPTVEALBAFZ-ZDUSSCGKSA-N 279.387 3.660 30 20 CHED O=C(O)c1ccccc1NN=C1CC(c2ccccc2)C1 814768442 BJEYNUXWSQVLHL-UHFFFAOYSA-N 280.327 3.730 30 20 CHED C=CCC1(NCc2ccc([C@H]3C[C@@H]3C)o2)CCOCC1 657633529 XBUVFIYHXRXVTO-ZFWWWQNUSA-N 275.392 3.618 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)[C@]23CCC[C@H]2C3)cc1 576623822 DUPLRNSVWVFVGT-KSSFIOAISA-N 298.386 3.522 30 20 CHED Cc1ccccc1C(=NN[C@H](C)c1ccncc1)C1CC1 819815203 NUDPRYGJLAYYRL-CQSZACIVSA-N 279.387 3.855 30 20 CHED C=C[C@@H]1CCCCN1C(=O)COc1ccc(Cl)c(C)c1 488835507 YSJRPKTXSOXGOR-CYBMUJFWSA-N 293.794 3.594 30 20 CHED Cc1ccc(F)c(/C=C2\Cc3ccc(C#N)cc3C2=O)c1 811695860 MWMIHSZJNPTPQM-OQLLNIDSSA-N 277.298 3.828 30 20 CHED CC(C)OCCNN=Cc1ccc(C2CCCC2)cc1 812227939 WDFLKMGXKALXEZ-UHFFFAOYSA-N 274.408 3.693 30 20 CHED Oc1ccc(/C=N/[C@H]2CCCCC23CCCC3)c(O)c1O 812445471 XTEWAKBASWOYBQ-BGARDKSCSA-N 289.375 3.725 30 20 CHED N#Cc1c(CNc2cccc3cc[nH]c23)cn2ccccc12 577820443 ABHRGWWMDQAHDR-UHFFFAOYSA-N 286.338 3.904 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)Cc1ccc(C(C)(C)C)cc1 481246405 LYLFPLPYPMJFBK-SFHVURJKSA-N 286.419 3.581 30 20 CHED C=CCCN[C@H](C)c1cc(C)ccc1OC(F)F 658117671 YITDXBDOKPPOFJ-LLVKDONJSA-N 255.308 3.823 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cccc(CO)c1 814683633 JPTLTGVJFJSSQG-UHFFFAOYSA-N 274.751 3.668 30 20 CHED Cc1cccc(CCCN(CC#N)C2CCCC2)c1 481118235 ZFMDYCXJFMQJGI-UHFFFAOYSA-N 256.393 3.696 30 20 CHED CCN(C(=O)C#Cc1cccs1)[C@H]1CCCC[C@@H]1C 825636941 LPOHVWBSKAAJPP-ZFWWWQNUSA-N 275.417 3.527 30 20 CHED Cc1ncccc1C=NNc1nc(-c2ccccc2)cs1 728779606 OZOIIZJGZDPAGS-UHFFFAOYSA-N 294.383 3.960 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(CC)cc2)c1 728480889 UCNNCJOEXQNUKF-UHFFFAOYSA-N 277.367 3.897 30 20 CHED Cc1ccc(C=NNCCCOc2ccccc2)c(C)c1 729147983 PSWVVHXEGXNAPV-UHFFFAOYSA-N 282.387 3.696 30 20 CHED C#Cc1cccc(N(C(=S)N[C@@H](C)CC)C(C)C)c1 728226874 MURISLILSJWQDJ-ZDUSSCGKSA-N 274.433 3.556 30 20 CHED C=CC1CCN(Cc2ccc(OCC)c(F)c2)CC1 494982375 XIONWMKUCFQDRZ-UHFFFAOYSA-N 263.356 3.622 30 20 CHED CCC[C@H](CC)C(=O)Nc1ccccc1O[C@H](C)C#N 821797254 ONZPVWUIIPODEH-OLZOCXBDSA-N 274.364 3.742 30 20 CHED C[C@]1(Cc2cccc(F)c2)CCCN1c1ncccc1C#N 570158660 WOERAPNEJVYJGT-GOSISDBHSA-N 295.361 3.694 30 20 CHED C#C[C@@H](C)NC(=O)N(Cc1ccc2ccccc2c1)C1CC1 820440875 NWVCMEWMVUSGMQ-CQSZACIVSA-N 292.382 3.536 30 20 CHED CC(C)N(Cc1cccs1)C(=O)CCCCCC#N 588753696 NAXZNRDBZPMRJD-UHFFFAOYSA-N 278.421 3.959 30 20 CHED C=CCC[C@H](C)N[C@H](COC)c1ccc(Cl)cc1 494510354 FJSBXNKGPJSEKD-SWLSCSKDSA-N 267.800 3.972 30 20 CHED Fc1ccc(-n2cc(C=NNc3ccccc3F)cn2)cc1 728174439 RGTFALVICFSATR-UHFFFAOYSA-N 298.296 3.597 30 20 CHED CC[C@@H]1C[C@H]1CSCCCC1(C#N)CCOCC1 902580945 XQWWGCSLXNYXOO-KGLIPLIRSA-N 267.438 3.866 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@]12CCC[C@@H]1C2 667028786 FQZDFZYQEWWNAJ-PBHICJAKSA-N 270.376 3.869 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H](COC)C1 733640399 LYADDPWTWFYHPH-MRXNPFEDSA-N 298.471 3.805 30 20 CHED Cc1ccc(CN(C)C(=O)c2ccsc2C#N)cc1C 909406277 BUAJOWLAKNBUQZ-UHFFFAOYSA-N 284.384 3.509 30 20 CHED CC(C)O[C@@H](CN1CCC[C@](C)(C#N)C1)c1ccccc1 589990771 BGOVNCONKHWXCV-ZWKOTPCHSA-N 286.419 3.778 30 20 CHED CC[C@@H]1CN(C(=O)CCCCCC#N)c2ccccc2O1 588933935 TXMLOYRKEHJMRE-CQSZACIVSA-N 286.375 3.665 30 20 CHED Cc1cccc(C=NNCCCc2ccccc2)c1C 731153466 NJHVQAQWNNZGNR-UHFFFAOYSA-N 266.388 3.860 30 20 CHED C=C(C)CNc1cccc(S(=O)(=O)C2CCCCC2)c1 834602184 LQBGXVOXZDPSFQ-UHFFFAOYSA-N 293.432 3.781 30 20 CHED N#CCSc1ccccc1C(=O)Nc1ccsc1 736141718 MUFMSOWUILHBEJ-UHFFFAOYSA-N 274.370 3.616 30 20 CHED CCN(C(=O)C#CC(C)(C)C)[C@@H](C)c1cccc(OC)c1 837343053 XFRARPXIIQDKAU-AWEZNQCLSA-N 287.403 3.654 30 20 CHED C=CC[C@@H](NC(=O)C1=CC[C@H](C)CC1)c1ccncc1 836699306 MJYSQBANULYBIP-XJKSGUPXSA-N 270.376 3.561 30 20 CHED C=CC[C@@H]1CCCN(c2cc(C(C)=O)ccc2C#N)C1 664253431 MRXMDBOTNPONRZ-CQSZACIVSA-N 268.360 3.553 30 20 CHED COc1ccc2c(c1)C(C)(C)C[C@H]2NCC1(C#N)CCC1 903033345 UHLVEXLSNQSTAX-MRXNPFEDSA-N 284.403 3.701 30 20 CHED C[C@H](CC(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1F 839055131 XNJYCMBLSPFMRC-HZSPNIEDSA-N 289.350 3.945 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(Br)cc1O 834882365 OGXDGGUEHJKHHZ-SNVBAGLBSA-N 284.197 3.772 30 20 CHED Oc1ccc(C=NNc2c(F)cccc2F)cc1Cl 735614778 BIVDMIYOOCZQBQ-UHFFFAOYSA-N 282.677 3.770 30 20 CHED N#Cc1ccc(NC(=O)CCCC2CC2)cc1Cl 589742070 NUQJMVVIYFMSCG-UHFFFAOYSA-N 262.740 3.730 30 20 CHED Cc1c(NC(=O)CCCCCC#N)cnn1C1CCCC1 588723488 UIUBWMMQVGLMIU-UHFFFAOYSA-N 288.395 3.719 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NN[C@H](C)C(F)(F)F 834997825 KOZCFLVXVQYCMP-IVZWLZJFSA-N 250.308 3.729 30 20 CHED Cc1c(C(=O)NCCC2CC2)sc2ccc(C#N)cc12 589984568 DHJLBJXMCBDQCN-UHFFFAOYSA-N 284.384 3.611 30 20 CHED CCCCCC[C@H](C)NC(=O)NCC(C)(C)CC#N 837325570 OOKYMFYTWXIHBV-ZDUSSCGKSA-N 267.417 3.584 30 20 CHED CC(C)(CCC#N)COC(=O)C[C@]1(C)CC1(Cl)Cl 835387579 WJLPKRSLNTXJDT-GFCCVEGCSA-N 292.206 3.834 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCCC(F)(F)C1)CC2 589344174 DUZGUCNMBVZTFE-CJNGLKHVSA-N 290.357 3.961 30 20 CHED CC[C@H](N[C@H](C)Cc1ccncc1)c1cccc(C#N)c1 902831749 DOKGOZGDUKCQIA-KDOFPFPSSA-N 279.387 3.625 30 20 CHED Cc1sc(NC(=O)[C@]2(C#N)CC23CCCC3)c(C#N)c1C 584825202 QVAHGXFOCVKBCD-MRXNPFEDSA-N 299.399 3.649 30 20 CHED CCCC[C@H](CCC)Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 583516715 JXRXHIQQLDNSJD-LBPRGKRZSA-N 290.367 3.819 30 20 CHED C[C@H]1CCC[C@H](C)C1NCC#Cc1ccc(F)cc1 581038458 KCAHBUMEYCEOIB-KBPBESRZSA-N 259.368 3.592 30 20 CHED CCc1nc(CN[C@@H]2CCCCc3cc(C#N)ccc32)co1 834897373 FXKMZOXWIFWRGN-QGZVFWFLSA-N 295.386 3.666 30 20 CHED C=CC[C@H]1N(Cc2ccc(C#N)cn2)CCCC1(C)C 582793521 FFAUFEIQTSBLFW-MRXNPFEDSA-N 269.392 3.520 30 20 CHED CCC(CC)NN=C(C)CCc1ccc(F)cc1 734364929 LPEZEUNPGDRXPZ-UHFFFAOYSA-N 250.361 3.912 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cc(Br)ccc1F 839034489 QIRLDFKRQBHFAI-SECBINFHSA-N 299.139 3.547 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1cccc(N2CCCC2)c1 837463214 HXPMICSNJARFFS-OAHLLOKOSA-N 298.430 3.514 30 20 CHED Cc1cc(C)cc(C2(C(=O)OCCCCC#N)CC2)c1 919471691 VINAKAVYHTXRPH-UHFFFAOYSA-N 271.360 3.572 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)N1CCC[C@@H](CC#N)C1 597908254 PMOKWBQVOQCXAF-LSDHHAIUSA-N 276.424 3.745 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 837862909 DHUIIDDJLKUYND-IAGOWNOFSA-N 286.371 3.649 30 20 CHED Cc1nc2ccccc2c(=O)n1N=CC1CCCCCC1 741837414 JVTXOKBUFGIZBJ-UHFFFAOYSA-N 283.375 3.509 30 20 CHED CCCCCCCCCNC1CCN([C@@H]2CCOC2)CC1 848523204 ZIJLLUNQLCMBIO-GOSISDBHSA-N 296.499 3.580 30 20 CHED C=C(Cl)C[S@](=O)Cc1c(C)cccc1Cl 841721588 IVACJCPPRKWYHX-HNNXBMFYSA-N 263.189 3.650 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H](C2CCC2)C1 591204475 VLYGEHOIOYGGGT-GFCCVEGCSA-N 295.308 3.598 30 20 CHED C=C[C@H](C)ON=C(C)c1cc(Cl)c(OC)cc1OC 844624475 MCZMCSFNBSMYRY-VIFPVBQESA-N 283.755 3.672 30 20 CHED C=CCC1(C(=O)OCc2nc(C)oc2C)CCCCC1 841337814 LYQOJBOIXUHLOG-UHFFFAOYSA-N 277.364 3.861 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 594091178 ZHRVXIJGGVXOEB-FHLIZLRMSA-N 292.382 3.704 30 20 CHED C=CC[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccncc1 843549911 SBVPDAPNUPKPRT-ARFHVFGLSA-N 286.419 3.887 30 20 CHED Cc1ccc([C@@H](C)N(C)C[C@H](O)CC(C)(C)C#N)c(C)c1 598585591 GOPARNMDHKEEAZ-HZPDHXFCSA-N 288.435 3.597 30 20 CHED Cc1cc(/C=C2\C[C@@H](C)c3ccccc3C2=O)n(C)n1 841484788 BYSJAFSCMURXCN-BVRAVYJCSA-N 266.344 3.502 30 20 CHED CCCCCCCC(=O)NC[C@@H](OC)c1ccccc1 915265819 MQHHEOQGLHEVAI-MRXNPFEDSA-N 277.408 3.851 30 20 CHED CCC(=NNC(=S)Nc1ccccc1C)C(C)C 915921218 OZPYOWZAUCFUDX-UHFFFAOYSA-N 263.410 3.703 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1ccc(N)cc1 915050481 RWHSLEORNBAALC-UHFFFAOYSA-N 294.280 3.519 30 20 CHED CC(C)c1ccc2c(c1)CN(c1cc(C#N)ccn1)CC2 596407842 AGEHOZOJJQXUKM-UHFFFAOYSA-N 277.371 3.639 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)C(CC)CC 916558801 WTALOTKMDCLQMK-UHFFFAOYSA-N 262.349 3.765 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1nccs1 747636081 CHWZBXBNJNLLRQ-UHFFFAOYSA-N 269.732 3.772 30 20 CHED Fc1ccc2[nH]cc(C=Nn3cnc4ccccc43)c2c1 747046798 GWJPXYIQBPZYQQ-UHFFFAOYSA-N 278.290 3.539 30 20 CHED CC(=NNc1cc(C)ccn1)c1coc2ccccc12 747766778 XTSWFIQMAGGDGZ-UHFFFAOYSA-N 265.316 3.972 30 20 CHED C=C[C@@H](C)ONC(=O)N(CC)[C@@H](CC)Cc1ccccc1 845629040 GXLSTXLXDMIJPQ-ZBFHGGJFSA-N 290.407 3.545 30 20 CHED C[C@H](NN=Cc1cnn(-c2ccccc2)c1)c1ccccc1 920383270 VDBKUATZPVGQBW-HNNXBMFYSA-N 290.370 3.557 30 20 CHED C=CCCOCC(=O)Nc1c(CC)cc(C)cc1CC 684642695 HTSPZINRPSNSMP-UHFFFAOYSA-N 275.392 3.651 30 20 CHED CC[C@H](C)CCNCc1ccc(O[C@H](C)C#N)cc1 850356494 WHZFFNIRPAELSX-UONOGXRCSA-N 260.381 3.503 30 20 CHED Cc1cc(F)ccc1NN=C[C@@H]1CC1(Cl)Cl 853324710 MPSVPGZYDZIVSW-QMMMGPOBSA-N 261.127 3.726 30 20 CHED Cc1cocc1C(=O)OCc1ccccc1C(C)(C)C#N 859779511 HNYRSZBWHJWLSS-UHFFFAOYSA-N 283.327 3.746 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1csc(C)n1 920374994 PDPKUEKXSGVJTA-UHFFFAOYSA-N 267.304 3.566 30 20 CHED N#CC1(OC(=O)c2cc(Cl)cc(Cl)c2)CCC1 753961411 QDQRRFKTCSSYNK-UHFFFAOYSA-N 270.115 3.596 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 682370680 WQJQERIDNXBBHM-IBGZPJMESA-N 296.414 3.963 30 20 CHED COc1ccccc1C=NNc1cc(C)ccc1F 759667875 VYOLYVUBLMMUPK-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCc2ccsc2)C1 855438163 BQFRBUOPIKEHQZ-AWEZNQCLSA-N 277.433 3.886 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1nncc2ccccc12 751131501 QDMLVLSUBLXCRX-LBPRGKRZSA-N 288.354 3.638 30 20 CHED Cc1cc(F)c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(F)c1 857627928 WWRZFHNMHOBSSD-GHMZBOCLSA-N 279.286 3.512 30 20 CHED C#CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 756996356 DZGWMWTXEFDVKP-KRWDZBQOSA-N 294.354 3.757 30 20 CHED CCCCCCCCC(=O)N1CCC[C@]1(C)CCCO 755731413 UIRIUPHROHIJMP-QGZVFWFLSA-N 283.456 3.891 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccc2c(c1)CCO2 755584512 LIVUYZDCBHLXAM-HNQUOIGGSA-N 286.277 3.796 30 20 CHED C#CCCCOc1cccnc1NC[C@H]1CCC(F)(F)C1 853567140 UCZWTZBRZMDGOY-ZDUSSCGKSA-N 294.345 3.721 30 20 CHED Clc1ccc(NN=Cc2nn[nH]c2-c2ccccc2)cc1 755462908 WDNMLWYQVYIOQR-UHFFFAOYSA-N 297.749 3.571 30 20 CHED FC(F)(F)c1ccc(NN=C/C=C/c2ccccc2)nn1 754709755 QUAJSVOKJJOEPL-ONUNCVQHSA-N 292.264 3.607 30 20 CHED C#CC[C@@H](NC(=O)c1coc2ccccc12)c1ccccc1 757595902 BVDOITKDFXQSBQ-QGZVFWFLSA-N 289.334 3.927 30 20 CHED C#Cc1ccc(NC(=O)N(C)CCC(C)(C)C)cc1 934924602 INLPKQNAKMGTBK-UHFFFAOYSA-N 258.365 3.568 30 20 CHED CCCCCCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C 755148111 VPKWIPVJIRMDIV-UHFFFAOYSA-N 292.423 3.924 30 20 CHED COc1cccc(/C=C2/Cc3c(OC)cccc3C2=O)c1 759663356 CRKOXPLEQMKGBB-LCYFTJDESA-N 280.323 3.526 30 20 CHED C[C@H]1CN(C(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 931837665 KTWSXDDZHHQAEZ-SMDDNHRTSA-N 297.383 3.845 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)OCCCCC#N 756288496 VRNTUVXHRDYLKS-VAWYXSNFSA-N 277.751 3.980 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N[C@@H](C#N)C1CCCCC1 934128392 BFCAJXQBICYWCX-PBHICJAKSA-N 284.403 3.687 30 20 CHED C[C@H]1C(=NNc2ccc(F)c(Cl)c2)CC[C@@H]1CC(=O)O 863179136 PNXHOIQYUIADHW-RKDXNWHRSA-N 298.745 3.768 30 20 CHED CC(C)CN(Cc1ccc(C#N)c(F)c1)Cc1ccccn1 932449234 OLGCWEFDCHDEBA-UHFFFAOYSA-N 297.377 3.751 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(C)c(F)c2)c1 767368736 XWVFHCYLNOBWBW-WAYWQWQTSA-N 255.292 3.734 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C[C@@H](C)c1ccccc1 767154490 LNNNQLODANTGQG-CYBMUJFWSA-N 297.320 3.594 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1ccnn1C 766012231 UYQGFMKFNGWOQF-ZDUSSCGKSA-N 284.407 3.618 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccco1)CC(F)(F)F 931262431 BSYACPYXEZWVGL-NSHDSACASA-N 289.297 3.773 30 20 CHED CC[C@H](CC#N)NC(=O)/C=C/c1ccccc1C(F)(F)F 867419499 KYADBDDCELOCPK-ABZNLYFFSA-N 296.292 3.527 30 20 CHED C=C(CC)COC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 766784862 UCYQWAINIRWWJF-GHMZBOCLSA-N 284.277 3.717 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H](C)c2cnc(C)s2)c1 864347485 RGASSZFWYRHGAU-MDKXCRPYSA-N 290.388 3.736 30 20 CHED C=C(Cl)CNC(=O)Nc1sc(C)nc1CC(C)C 761680576 APEQWROHDJUXFT-UHFFFAOYSA-N 287.816 3.524 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc2c(c1)CCO2 769827802 LTUUITHWUAXFDT-UHFFFAOYSA-N 284.334 3.905 30 20 CHED C#CCCc1noc(-c2sc(-c3ccc(C)o3)nc2C)n1 762013881 KUVQFUJLCWIHJB-UHFFFAOYSA-N 299.355 3.636 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H](F)c1ccccc1 769450039 HZGLTGGNPUWRNK-HNNXBMFYSA-N 299.349 3.764 30 20 CHED C=C(C)COC(=O)c1cn(CCCC#N)c2ccccc12 769543066 DLTNAZJVOZSZNV-UHFFFAOYSA-N 282.343 3.678 30 20 CHED C=CCOc1c(Cl)cc(CN2CC3(CC3)C2)cc1OC 862381696 HSKAYKNIYYILFU-UHFFFAOYSA-N 293.794 3.509 30 20 CHED C#CCCN(CC(F)(F)F)[C@@H](C)Cc1ccsc1 768534789 RWWCATSYSCSXMN-NSHDSACASA-N 275.339 3.567 30 20 CHED C[C@@H]1CC[C@H](C(=O)OCCCCC(C)(C)C#N)C1 768830296 FBAYRIQZLLSRLK-OLZOCXBDSA-N 251.370 3.686 30 20 CHED C=CCN(Cc1cnc(C2CCC2)s1)C(C)C 768550371 MJLOEVJUDGMEQU-UHFFFAOYSA-N 250.411 3.807 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cccc(C(F)F)c1 860199843 JGEFHROOBXNUIJ-UHFFFAOYSA-N 281.302 3.997 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(C)c(O)c(C)c1 767373019 GZMAYIBOFQVYTQ-UHFFFAOYSA-N 293.370 3.803 30 20 CHED Cc1cccc(C=NOCc2cccnc2)c1OC(F)F 777887506 HCALUIZHEIZYRY-UHFFFAOYSA-N 292.285 3.542 30 20 CHED C=CCN(C)C(=S)Nc1cc(Cl)cc(Cl)c1 777470401 BGWIKEMPAIGPAG-UHFFFAOYSA-N 275.204 3.808 30 20 CHED CC1(C)C(c2nnc(COc3ccc(C#N)cc3)o2)C1(C)C 1117174542 ZXIIKVWMSWQITE-UHFFFAOYSA-N 297.358 3.670 30 20 CHED C=C(CC)COC(=O)c1ccc(-c2ccccc2)nc1O 773498954 YZDMWDYGNLPARJ-UHFFFAOYSA-N 283.327 3.577 30 20 CHED Cc1cc(/C=C2\Oc3cc(F)ccc3C2=O)ccc1C#N 773174771 XEBWIHJQHANATG-APSNUPSMSA-N 279.270 3.622 30 20 CHED C[C@H]1CCC[C@H](COC(=O)Cc2ccccc2CC#N)C1 777164157 LNQIVLCVTNKLPZ-GJZGRUSLSA-N 285.387 3.665 30 20 CHED C#CCCCOc1cnc2ccc(Br)cc2c1 774802123 MTWAIZWZPRIBOH-UHFFFAOYSA-N 290.160 3.790 30 20 CHED CCCc1ccc(NC(=O)Cc2ccccc2CC#N)cc1 776747260 RPJNUJGCGSYXPK-UHFFFAOYSA-N 292.382 3.886 30 20 CHED CCc1ccc(C(=O)/C=C/c2cc(C(=O)OC)co2)s1 774120695 SRKASLUJLAGULQ-GQCTYLIASA-N 290.340 3.586 30 20 CHED COc1cc(O)ccc1/C=C1\Cc2c(C)cccc2C1=O 1115993234 ZUTFYQSLXGEZIL-MDWZMJQESA-N 280.323 3.532 30 20 CHED Clc1ccnc(NN=Cc2c[nH]nc2-c2ccccc2)c1 777905422 GPDSRHWGVVLFIF-UHFFFAOYSA-N 297.749 3.571 30 20 CHED C#CCOc1ccccc1CNc1cc(F)c(OC)cc1C 775990845 ZDSOOSXXKQTYNA-UHFFFAOYSA-N 299.345 3.767 30 20 CHED Cc1cccc(F)c1CNC(=O)Nc1cccc(C#N)c1C 770289009 AQOMTTNWPYARNZ-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C=Cn1cc(C=NNc2c(Cl)cc(F)cc2Cl)cn1 773080719 ZKPFICPJQXWMQD-UHFFFAOYSA-N 299.136 3.876 30 20 CHED CC(=NNc1ccnc(F)c1)c1cc(C)c(F)c(C)c1 781133936 KZMFPYOPEPDMET-UHFFFAOYSA-N 275.302 3.813 30 20 CHED C=CC(C)(C)CC(=O)OCCCCOC(C)(C)C 884649348 AOMJLMJXAXJQMR-UHFFFAOYSA-N 256.386 3.727 30 20 CHED CC[C@@H]1CCCC[C@H]1OCC(=O)OCCCC(C)(C)C#N 784741076 LHZSMDQRQRYAFR-HUUCEWRRSA-N 295.423 3.845 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 1120813620 IKTQJASFBRKLGJ-CQSZACIVSA-N 265.303 3.536 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)c1ccc(F)cc1 780036577 FNCJWRUNNKOWNV-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#CC[C@H](C)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 1122723034 KVNDYLBYNFCUTB-STQMWFEESA-N 269.344 3.617 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2ccccc2O[C@H](C)C#N)CCO1 780745538 QFXLARBIZRZMEN-CPUCHLNUSA-N 288.391 3.593 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C/c1cccc(F)c1 782031295 RRMSKFYCYHICBM-BQYQJAHWSA-N 275.323 3.712 30 20 CHED CSc1ccc(C(C)=NN[C@H]2CCCOC2)c(Cl)c1 780259702 CZRQIWBNTJCVKO-NSHDSACASA-N 298.839 3.555 30 20 CHED CC(C)Cc1ccc(C(=O)NCc2cccc(C#N)c2)s1 1124844257 VWHHWHMGVPTDDA-UHFFFAOYSA-N 298.411 3.748 30 20 CHED CCC(=NN[C@@H](CO)c1ccccc1)C1CCCCC1 788457889 QEJQXWHPYASCQY-KRWDZBQOSA-N 274.408 3.656 30 20 CHED COCCCCc1cccnc1N[C@H](C)CC(C)(C)C#N 894576705 FBAIUCMYEJERIW-CQSZACIVSA-N 289.423 3.791 30 20 CHED CC(C)[C@@H]1CCCCC1=NN[C@@H](CO)c1ccccc1 788460076 JDZMDEVPWPGEKA-RDJZCZTQSA-N 274.408 3.512 30 20 CHED COc1ccc(NN=C2C[C@H]3CCCc4cccc2c43)nc1 780275156 ROMVQWVCDJDAOH-CYBMUJFWSA-N 293.370 3.730 30 20 CHED C=C1CCC(C(=O)NCC2(c3cccc(OC)c3)CC2)CC1 890990834 YEJIEEXQMKMVGW-UHFFFAOYSA-N 299.414 3.589 30 20 CHED CCc1ccc(C(C)=NNc2ccc(OC)cn2)s1 780271854 YLZCAHRTENLZTE-UHFFFAOYSA-N 275.377 3.550 30 20 CHED C#CCSc1ccc(COC(=O)C2(F)CCCC2)cc1 788417779 MHUQIPLXPLQTCU-UHFFFAOYSA-N 292.375 3.737 30 20 CHED CC(=NN[C@@H]1CCCOC1)c1ccc(SC(C)C)cc1 780252961 ZPNIVYDPEAQOAC-OAHLLOKOSA-N 292.448 3.680 30 20 CHED C[C@@H](NN=Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C 793112749 WNWJWWGJQMLBBL-SECBINFHSA-N 283.759 3.606 30 20 CHED Cc1ccc(NC(=O)NCc2ccc(C#N)c(F)c2)c(C)c1 1202753261 YONNXYVYWYOQAR-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CN1C(=O)/C(=C/c2ccccc2C#N)c2cc(Cl)ccc21 799501773 OQDIQBPMOMUPSZ-OVCLIPMQSA-N 294.741 3.729 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)CCc2ccc(O)cc21 794959808 DQRNSQIRRMTOFM-YRNVUSSQSA-N 286.277 3.883 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cccnc1 799493430 BGNJMOWFELDNKW-UHFFFAOYSA-N 253.349 3.789 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccnc(F)c1 794879182 VNECHSNTLJRFTJ-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1ncc[nH]1 790201925 MZPRBEDOEFIIEU-UHFFFAOYSA-N 269.135 3.553 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NNCC(F)(F)F)C1 799113607 RWYIMGQSYWUNSC-NSHDSACASA-N 285.313 3.556 30 20 CHED C=CCCCCC[C@@H](C)NC1CCN(C(C)C)CC1 793533593 OBQILXCAIACPNP-MRXNPFEDSA-N 266.473 3.974 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1Cc1ccccc1C 791072500 CCFNDMOWMQNBDX-QZTJIDSGSA-N 298.430 3.513 30 20 CHED N#Cc1cc(C(=O)OCCCc2ccsc2)ccc1F 792324571 VSUKQBIBQTUJAX-UHFFFAOYSA-N 289.331 3.548 30 20 CHED COc1ccccc1CON=C(C)c1ccc(Cl)cn1 799118899 ZXLRWUOZKCOWFS-UHFFFAOYSA-N 290.750 3.684 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C\c1ccc(O)c(O)c1O)CCC2 793664980 CJAPRIZTYGEZRH-SMLKNPDNSA-N 297.354 3.608 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc(C#N)cc1 796322891 LMHHJFGLQBAOPY-GOEBONIOSA-N 299.370 3.501 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(N3CCCCC3)c2)C1 799721628 OWFDZJSLMUQLIF-GDBMZVCRSA-N 269.392 3.781 30 20 CHED Cc1ccc(O)cc1NC(=O)C[C@@H](CC#N)c1ccccc1 1151618463 WLMLWOMIZKELIR-OAHLLOKOSA-N 294.354 3.727 30 20 CHED Cc1cccc(SCC(=O)[C@@H](C#N)c2ccccc2)c1 1307297108 NHCUZSVFDBJXQT-INIZCTEOSA-N 281.380 3.964 30 20 CHED Cc1cccc(C)c1NC(=O)c1ccc(CC#N)cc1 58243000 HTXCIDVWIGPQDY-UHFFFAOYSA-N 264.328 3.622 30 20 CHED COCCN(CCC1(C#N)CCCCC1)[C@H]1CC[C@@H](C)C1 1307737772 WYKXIMOLALIHCV-SJORKVTESA-N 292.467 3.988 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 76067571 XKHCUNFYWGIJDY-LSDHHAIUSA-N 292.423 3.803 30 20 CHED CCc1oc2ccccc2c1C(=O)N[C@@H](C#N)CC(C)C 1319675621 GICQETPVGBQDTD-GFCCVEGCSA-N 284.359 3.663 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(SC(F)F)cc1 1328480558 GKXUELJRHCXYJB-UHFFFAOYSA-N 285.359 3.943 30 20 CHED N#Cc1ccc(-c2nnc(/C=C/c3cccs3)o2)cc1 1329207101 OHWFCBHYPHANDM-BQYQJAHWSA-N 279.324 3.840 30 20 CHED C#CCCCCC(=O)Nc1cc(C)nn1-c1cccc(C)c1 1320418342 ZBYORJSKDCGFFG-UHFFFAOYSA-N 295.386 3.621 30 20 CHED CC(C)[C@H](C#N)C=NNc1cc(Cl)nc(Cl)c1 1326616887 ZXNKDNLPYULBSS-MRVPVSSYSA-N 271.151 3.582 30 20 CHED N#CC[C@H]1CCCN(Cc2ccsc2Cl)C1 595617458 TVZZKHDUJQLRIU-SNVBAGLBSA-N 254.786 3.527 30 20 CHED CS[C@@H]1CCC[C@@H](N[C@@H](C)CC(C)(C)C#N)C1 695860173 SWYSNAFTCVCEMM-YNEHKIRRSA-N 254.443 3.579 30 20 CHED C#CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 767091533 NUTYBXBZBUQVAQ-VXGBXAGGSA-N 289.341 3.521 30 20 CHED COc1ccc(C#N)cc1NCc1cccc(C)c1C 779589440 HAMMBLBZCJCACX-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CCCN(Cc1ccccc1)C[C@H](O)c1ccccc1 796364686 SWGWBUIRBRNLDL-IBGZPJMESA-N 281.399 3.798 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cc1F)c1ccccc1F 1267064810 IIBSMHHXFQMSOR-SNVBAGLBSA-N 287.265 3.754 30 20 CHED C=C(C)CCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 1262604199 JRRGBVACHJZBPL-UHFFFAOYSA-N 273.163 3.870 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Cc1cccc2cccnc12 1514860480 YIWLJYUAGNAOLB-QGZVFWFLSA-N 294.398 3.735 30 20 CHED N#Cc1cnc(N2CCC(C3CCCCC3)CC2)c(F)c1 1458469735 ATYVEKODYBCIOQ-UHFFFAOYSA-N 287.382 3.889 30 20 CHED CC(C)CN(CCc1ccccc1)c1cccc(C#N)n1 1458275099 GHURZUNTHXULNE-UHFFFAOYSA-N 279.387 3.658 30 20 CHED CSC1(CNc2c(C#N)cccc2C#N)CCCCC1 1458612709 CKOKPUQHTACXJX-UHFFFAOYSA-N 285.416 3.908 30 20 CHED Cc1cc(C#N)cc(NC(=O)Cc2ccc(Cl)s2)c1 1528802285 LWQPJJUAGWDZFC-UHFFFAOYSA-N 290.775 3.763 30 20 CHED C[C@H]1C[C@H](C(=O)N2CCCc3cc(C#N)ccc32)CC[C@H]1C 1460302421 KTNCKPZSHDKWCX-JKIFEVAISA-N 296.414 3.910 30 20 CHED N#CC[C@H](C(=O)N1C2CCCC1CCC2)c1ccccc1 1531160350 JBQFMTYLBJHGOS-JCYILVPMSA-N 282.387 3.617 30 20 CHED N#Cc1cccc(C(=O)N[C@H]2CCc3ccc(Cl)cc32)c1 1534138631 SIPMWFVAODXZSA-INIZCTEOSA-N 296.757 3.629 30 20 CHED CCC(C)(C)CNCc1cc(C#N)ccc1Br 1461435991 XUUWRVFGDKSONY-UHFFFAOYSA-N 295.224 3.847 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1csc(C#N)c1 1534875245 KRQYPIJVJCTJKX-FZMZJTMJSA-N 276.405 3.661 30 20 CHED C[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H]1C 1628704580 YLJNCUILBIZSLI-RKDXNWHRSA-N 297.185 3.593 30 20 CHED CC[C@@H](CSc1ccccc1)Nc1cc(C#N)nc(C)n1 1639676719 QIVBVXJMTDUWMV-ZDUSSCGKSA-N 298.415 3.640 30 20 CHED C[C@@H]1C[C@H]1[C@@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)cc1 1639474628 PHKCAFQPDSSMGL-LQAWEQHXSA-N 297.789 3.838 30 20 CHED Cc1cc(Sc2ccc(C#N)c(C)n2)ccc1C#N 1640060649 HSGXEXSFDOQDOF-UHFFFAOYSA-N 265.341 3.593 30 20 CHED CO[C@H](CNc1nc(C(C)(C)C)ccc1C#N)CC(C)C 1640043426 REUCFWGKSCYCGD-AWEZNQCLSA-N 289.423 3.724 30 20 CHED CCc1csc(N2CCC(c3ccc(C#N)cc3)CC2)n1 1651465667 BYBGCZCVYNURPB-UHFFFAOYSA-N 297.427 3.961 30 20 CHED COCc1ccc(Sc2nc(C#N)c(Cl)s2)cc1 1651585975 LWENBVBHORPFDO-UHFFFAOYSA-N 296.804 3.966 30 20 CHED C=C(C)CCC(=O)Nc1cc(C(=O)O)c2ccccc2c1 1588555057 YAIGZBCNDTZHHO-UHFFFAOYSA-N 283.327 3.833 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)c(C)n1 1585045828 CLPGBNWUAMSJCT-HOCLYGCPSA-N 299.418 3.598 30 20 CHED CC(C)c1ccc(NCc2cccc(C(=O)O)c2C#N)cc1 1591968141 JLZYPEKYMBDZSX-UHFFFAOYSA-N 294.354 3.992 30 20 CHED C=C(Cn1c(C)nnc1N1CCC[C@H](C)C1)c1ccccc1 1593782504 PEAVIBSWNHNAJZ-AWEZNQCLSA-N 296.418 3.536 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(C)[C@@H](C)CCC 1760375556 PYZNJDHLUKFPTK-LBPRGKRZSA-N 296.846 3.923 30 20 CHED CCCC[C@H](CCC)CNC(=O)Nc1ccnc(C#N)c1 1679656225 DPNRVZDVFCRMMS-ZDUSSCGKSA-N 288.395 3.681 30 20 CHED CCc1ccc(C(=O)O)cc1NCc1ccc(C#N)cc1F 1776966333 JEIVZAPHKGKRPS-UHFFFAOYSA-N 298.317 3.570 30 20 CHED O=C(O)c1coc(/C=C\C(=O)c2ccccc2Cl)c1 1776114908 FWZAESRZRPMJKN-WAYWQWQTSA-N 276.675 3.527 30 20 CHED CC(CCCCCCC(=O)O)=NNCC1(C)CCC1 1776090551 NWWKDRCUIXCXSJ-UHFFFAOYSA-N 268.401 3.567 30 20 CHED C=C(C)CCCN(CCCC(=O)O)Cc1ccccc1 1776138600 ODFKDTURFPZRNR-UHFFFAOYSA-N 275.392 3.710 30 20 CHED C=CCC1(C(=O)O)CCN(CC2CCC(C)CC2)CC1 1776158250 IEAAOZLMOOSNJD-UHFFFAOYSA-N 279.424 3.556 30 20 CHED C=CCC[C@H]1CCCN1Cc1c(Cl)cccc1C(=O)O 1776170852 WHWISXNINDNHFJ-LBPRGKRZSA-N 293.794 3.969 30 20 CHED C(=NNc1nc2ccccc2[nH]1)c1cccc2cccnc12 13143656 LDZZALGJYHLYFN-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C=C(C)CNC(=O)c1ccc(-c2ccc(OC)cc2)cc1F 160938296 JFLCQDJMWYWKEJ-UHFFFAOYSA-N 299.345 3.807 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccccc1 156147378 CXOOJSSLDTWGEB-BBRMVZONSA-N 272.392 3.792 30 20 CHED Cc1cccc([C@H](C)CNCc2cccc(C#N)c2)c1 153985011 HUUKZNLUFWUEDN-OAHLLOKOSA-N 264.372 3.760 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 154924802 NHWRKGVDWZVKNJ-VIFPVBQESA-N 287.190 3.882 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCC[C@@H]2C)c1 1662637539 IQVFNKJSDQIWFW-SWLSCSKDSA-N 271.364 3.567 30 20 CHED C#Cc1ccc(CNc2cccc(OCC)c2)cc1 809596563 JXGSLZPXCMMBDT-UHFFFAOYSA-N 251.329 3.679 30 20 CHED N#Cc1cccc(COc2c(F)cccc2F)c1F 223540940 NRABRKVUMHBVIF-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1cccc(C#N)c1 130486765 SDYFNFCTPLIABB-GFCCVEGCSA-N 258.365 3.503 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CCO1 270789937 RFHOBJZKZUYRPT-AAEUAGOBSA-N 293.798 3.612 30 20 CHED N#Cc1cccc(C(=O)Nc2cc(F)cc(Cl)c2)c1 158469615 HZWKLPJLZPOWBR-UHFFFAOYSA-N 274.682 3.603 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)cc1 282698689 XOIOUJOVTYNIPW-LBPRGKRZSA-N 278.302 3.517 30 20 CHED Cc1nc(C)c(CNc2c(F)cc(C#N)cc2F)s1 302620451 DMEDJCSYVSEUNV-UHFFFAOYSA-N 279.315 3.522 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnc(C)s1 98132606 LCTXEGOKJMDGFW-UHFFFAOYSA-N 258.390 3.640 30 20 CHED CC1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 78832699 ZTZGUTVLQMTOND-UHFFFAOYSA-N 283.297 3.963 30 20 CHED C#C[C@H](NC(=O)CCc1ccc(C)c(Cl)c1)C(C)(C)C 702236985 UUQRYTCDVKJQNH-HNNXBMFYSA-N 291.822 3.745 30 20 CHED COc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1Cl 718924757 ZNKNKRLDLNVPKG-LLVKDONJSA-N 280.799 3.767 30 20 CHED CCCC(=NOCc1ccccc1)c1ccccn1 814792451 QUOQQINQTLLMNH-UHFFFAOYSA-N 254.333 3.803 30 20 CHED CSc1ccc(Cl)c(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1 179945624 ZRHLZFMAQDRSHR-ZJUUUORDSA-N 295.791 3.911 30 20 CHED C=C(C)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 134446694 KUKMLTOPSLHNGH-JTQLQIEISA-N 290.354 3.917 30 20 CHED N#Cc1cccc(/C=C2/CCOc3ccccc3C2=O)c1 170852098 NXSPLLVDXVMFBY-PTNGSMBKSA-N 275.307 3.607 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccnc(Cl)c1 104544383 GBCGBDDDKRJVCM-UHFFFAOYSA-N 293.798 3.527 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccccc1C 104542845 VPRVNYADLJVVQI-UHFFFAOYSA-N 272.392 3.787 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](CC)Sc1ccccc1 116849798 JNGFSPLZGAWBJA-JSGCOSHPSA-N 263.406 3.638 30 20 CHED N#Cc1cccnc1N[C@@H]1CCC[C@@H]1c1ccccc1 110603827 XDXYOGXSZKJJLD-HZPDHXFCSA-N 263.344 3.701 30 20 CHED C=CCCCSc1nnc(-c2ccc(OC)cc2)[nH]1 117548388 DBESWRODXQURMS-UHFFFAOYSA-N 275.377 3.539 30 20 CHED N#Cc1cccnc1Nc1cnn(-c2ccccc2Cl)c1 301575980 YRTIRVSEPVUVJM-UHFFFAOYSA-N 295.733 3.536 30 20 CHED C#CCOc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 113339193 DZUXENDBHXHXKL-IBGZPJMESA-N 295.357 3.615 30 20 CHED N#Cc1ccc(CNc2ccc(-c3csnn3)cc2)cc1 119668168 MACOMNJLCGGOOQ-UHFFFAOYSA-N 292.367 3.689 30 20 CHED CCOc1ccc(OC)cc1N[C@@H](C#N)C1CCCCC1 115606236 BENMOQAQQVIOFL-INIZCTEOSA-N 288.391 3.978 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCCc3ccccc32)C1 408005184 SAOKRMJLNOLVPD-BJZITVGISA-N 296.414 3.695 30 20 CHED C#CCCCNCc1ccc(-c2ccccc2OC)cc1 174611620 RATXKMQOYCEHJR-UHFFFAOYSA-N 279.383 3.865 30 20 CHED N#Cc1ccc(N2CCc3cc(Cl)ccc3C2)c(F)c1 302702252 IIRDWIMTZMKAQF-UHFFFAOYSA-N 286.737 3.913 30 20 CHED Cc1cc(C)cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 116808308 VPVVEDCNFITUBF-SJKOYZFVSA-N 270.376 3.506 30 20 CHED CCC1(CNc2nc(C)c(C#N)cc2Cl)CCOCC1 313034719 QMMSTCNUIIXJOR-UHFFFAOYSA-N 293.798 3.534 30 20 CHED Cc1ccccc1Sc1cc(C#N)ccc1[N+](=O)[O-] 302213450 NOFCXXQBMAIXTR-UHFFFAOYSA-N 270.313 3.926 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc3ccccc3c2)cn1 65999875 KLAJUGJTLRUNAL-CSKARUKUSA-N 276.339 3.952 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)c1ccccc1 122693830 SCCRFVJOMJUMGZ-TZMCWYRMSA-N 289.338 3.543 30 20 CHED CC(C)COCCC/N=C(/N)Nc1cccc(C(C)C)c1 303785956 QVQOWXSYKVMSQZ-UHFFFAOYSA-N 291.439 3.599 30 20 CHED C=CCN(C(=O)[C@H](C)OCc1ccccc1)c1ccccc1 75556239 QTAXAAPUKPGWRQ-INIZCTEOSA-N 295.382 3.811 30 20 CHED C[C@@H](N[C@@H]1CCc2c(O)cccc21)c1ccc(C#N)cc1 36991934 PHPCDGNTBYTMBA-SJKOYZFVSA-N 278.355 3.602 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 189437591 YKYWFXNCPZJHMF-KRWDZBQOSA-N 276.339 3.857 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(OCC(=C)C)c1 185436454 SCWOYKPRZMKWOS-UHFFFAOYSA-N 271.360 3.630 30 20 CHED N#CCSCCCN[C@H](c1ccccc1)C1CCC1 72515954 BLGINLZFNRTHGZ-MRXNPFEDSA-N 274.433 3.764 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@]2(C#N)CCC[C@H](C)C2)C1 503661968 DLTPAGCQWYCJMF-DEQQHWRFSA-N 276.424 3.647 30 20 CHED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cncs1 439130419 LLBRDOIVXXFFTJ-ZETCQYMHSA-N 298.293 3.602 30 20 CHED Cc1cc([C@@H]2CCCN2CCC2(C#N)CCCCC2)on1 411169903 FKFKMGYARYZYFX-HNNXBMFYSA-N 287.407 3.984 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCCc1sccc1C 410824695 DGLIBEVYGIIUGQ-CYBMUJFWSA-N 278.421 3.530 30 20 CHED CCC(CC)(C(=O)Nc1ccc(C#N)cn1)c1ccccc1 74729831 NUQYTCLXVGTABL-UHFFFAOYSA-N 293.370 3.650 30 20 CHED CCCCC(=O)N(CCC#N)c1ccc(OCC)cc1 72678924 YRSPTMRLQDBIIA-UHFFFAOYSA-N 274.364 3.522 30 20 CHED Cc1ccc(-c2cccc(CNC[C@@H](C)C#N)c2)cc1 183839818 XHOLKEKVQLWFCX-HNNXBMFYSA-N 264.372 3.911 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C(C)C)CC1 188411835 BVWSFSABBOKHFX-GDBMZVCRSA-N 251.414 3.873 30 20 CHED C=CC[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 186026196 XFNXHTXBECPZPT-KRWDZBQOSA-N 276.339 3.857 30 20 CHED C=CCOCCSCc1ccc(Cl)c(OC)c1 419520311 PXFMJJXCQIWHSX-UHFFFAOYSA-N 272.797 3.784 30 20 CHED C=CCN(C(=O)c1[nH]c2c(Cl)cccc2c1C)C1CC1 412232199 RBMYKDJIWAUPPQ-UHFFFAOYSA-N 288.778 3.920 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(OCCCC#N)c1 183225573 WNVFKWHCXUHSJN-UONOGXRCSA-N 288.391 3.990 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1scc(C)c1C#N 410861010 RJVSGKDUKVKXRK-QMMMGPOBSA-N 290.310 3.845 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(c2ncc(C#N)cc2F)C1 413287750 CENLYHVNHDBHQB-LRDDRELGSA-N 281.334 3.680 30 20 CHED CCc1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 418144173 JVLXYXGLFMCPKH-MRXNPFEDSA-N 297.427 3.744 30 20 CHED Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 413329818 QIIYFDAWXNSGJS-ZWKOTPCHSA-N 290.366 3.633 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(OCC(C)C)c1 285191291 RZWMEEYIPDRBSS-INIZCTEOSA-N 274.364 3.600 30 20 CHED C[C@@H](CN[C@H]1CCC[C@H](C#N)C1)Sc1ccccc1 185848532 IQPDWFWABMHGEI-KKUMJFAQSA-N 274.433 3.839 30 20 CHED C=C[C@H](CC(=O)N1CCS[C@H](CC)C1)c1ccccc1 136782318 OPPVNMPLKCGVMG-GDBMZVCRSA-N 289.444 3.700 30 20 CHED CC(C)CCCNC(=O)Nc1ccccc1O[C@H](C)C#N 184333418 QFGXKNCMDMCSKT-CYBMUJFWSA-N 289.379 3.535 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(C)c(Cl)cc1OC 43349586 NQPXRSFCLJSGRV-UHFFFAOYSA-N 294.782 3.863 30 20 CHED CCCCC[C@@H](C)NC(=O)C1(C#N)CCCCC1 44385360 CNLCQQUMFNNHPF-CYBMUJFWSA-N 250.386 3.545 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc(F)c(OC)c2)n1 508679679 NKFFHGFVYANEAP-TWGQIWQCSA-N 288.322 3.896 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(Br)cc1O 134932037 BMKBDYYFPHDVFO-NXEZZACHSA-N 284.197 3.770 30 20 CHED CC(=O)Nc1ccc(C)c(NCc2ccc(C#N)c(F)c2)c1 190340665 FBISLBBKLSTDKR-UHFFFAOYSA-N 297.333 3.576 30 20 CHED C=CC[C@H](C(=O)N1CCS[C@@H](C)CC1)c1ccccc1 191367258 YPLNMMFZMWOVNP-HOCLYGCPSA-N 289.444 3.700 30 20 CHED C=CCc1cc(CN(CCC)CCC)cc(OC)c1O 505351958 VPNOVIUNLFGGGB-UHFFFAOYSA-N 277.408 3.751 30 20 CHED C=CCC1(C(=O)Oc2ccc(C(C)=O)cc2F)CCC1 191896931 JHAWMGWXDIBIPK-UHFFFAOYSA-N 276.307 3.680 30 20 CHED C#CCCCC(=O)NCc1ccc(C)cc1O[C@@H](C)CC 192150887 LWVMFXWUTZCIOA-HNNXBMFYSA-N 287.403 3.592 30 20 CHED C=CCCC(=O)N[C@@H](C)c1oc2ccccc2c1C 192077072 ZTKGOBLZMXZZBA-LBPRGKRZSA-N 257.333 3.885 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C2CC(C)(C)C2)cc1 514796356 OUWYCETYFPDVRS-MRXNPFEDSA-N 284.403 3.708 30 20 CHED Cc1nc(N=C(O)[C@@H]2CC[C@@H](C)C2)nc2c1CCCC2 329606539 IBMOQKHKXMOAAZ-ZYHUDNBSSA-N 273.380 3.688 30 20 CHED C=CCN(CCSC(C)C)Cc1cccs1 513960580 KTXVPAFGBLTOGP-UHFFFAOYSA-N 255.452 3.878 30 20 CHED Cc1ccccc1NC(=O)CNc1ccc(C#N)cc1Cl 225235584 YGUNLBQGWVOJHW-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C[C@@H](C#N)CN(C)[C@H](C)c1ccccc1Br 514098365 GCNGMNPRUQFTHJ-WDEREUQCSA-N 281.197 3.602 30 20 CHED C=CCCN(C)C/C(C)=C/c1ccccc1COC 513102350 YGEHXPNIJVRZQN-NTCAYCPXSA-N 259.393 3.744 30 20 CHED C=CC[C@@H](C)N[C@@H](Cc1ccncc1)c1cccs1 424281298 IKURKGOYRXLLMO-HIFRSBDPSA-N 272.417 3.981 30 20 CHED Cc1cc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)c(C)s1 191229172 IVVWSVQEXXKLII-VOTSOKGWSA-N 289.404 3.608 30 20 CHED O/C(=N/[C@@H]1CC12CCCCC2)c1cccc2nccnc12 329464224 UNXNXMSNCFDMRR-CQSZACIVSA-N 281.359 3.657 30 20 CHED N#CC1(CN2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 429122190 OKKQMELZIBTTGB-CQSZACIVSA-N 292.835 3.810 30 20 CHED CSC[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 133205443 OYTRBABYLADGRH-MRVPVSSYSA-N 274.311 3.740 30 20 CHED C=CCCc1nc(-c2cccc(SCC)c2)no1 426603670 CZXSYWZKZWFVHO-UHFFFAOYSA-N 260.362 3.967 30 20 CHED CC[C@H](C)CN(C)c1ccc(C#N)c(Br)c1 228177785 USZCBCVCPVQPPK-JTQLQIEISA-N 281.197 3.803 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc(C2CCC2)s1 426549682 SZLPCTCQPLSAMT-CYBMUJFWSA-N 262.422 3.951 30 20 CHED CCCCCCCC(=O)N(C)[C@@H](C)c1ccccn1 194728722 IXSKJHKWQGDCSX-AWEZNQCLSA-N 262.397 3.962 30 20 CHED CC(C)[C@H](N=c1[nH]ccc(C#N)c1Cl)c1ccccc1 429185341 CWFCIGYKDYCISO-HNNXBMFYSA-N 285.778 3.838 30 20 CHED C=CCC1(CN[C@@H]2CCC[C@H]2[C@H]2CCCN2)CCCC1 423154600 JSYPYWJKGQTDSW-GVDBMIGSSA-N 276.468 3.633 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)CC#N)c(Cl)c1 424277474 AMYYGCMYGTYONW-LLVKDONJSA-N 280.799 3.939 30 20 CHED C=CCN(Cc1ccc(COC)o1)Cc1ccccc1F 92404536 PFCREOUPKLCWJI-UHFFFAOYSA-N 289.350 3.753 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(C)c(Br)cc1C 91867797 CCWMFXQVMOLDLB-JTQLQIEISA-N 296.164 3.525 30 20 CHED CCCC(=O)Nc1cc(C(C)(C)C)sc1C#N 91207876 PTHCTPHAGCVBKQ-UHFFFAOYSA-N 250.367 3.656 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC(F)(F)C1 424833879 VWYOHOFHVJZOPZ-LLVKDONJSA-N 259.340 3.530 30 20 CHED C=C(C)C[C@@H](C)c1nc(-c2ccnc(N3CCCC3)c2)no1 515306928 KJFQJPPDMKXBPA-CYBMUJFWSA-N 298.390 3.802 30 20 CHED CCC1(CNc2ccc(C#N)c(Br)c2)CC1 232935128 NUCWTYRVKFFPGF-UHFFFAOYSA-N 279.181 3.923 30 20 CHED Cc1ccsc1CN(CCC#N)CCC(C)C 93100851 QZYUHKBKIIUKOT-UHFFFAOYSA-N 250.411 3.818 30 20 CHED Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)s1 335327242 GQGVWYRDNWZCPC-MRXNPFEDSA-N 268.385 3.705 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(NC(C)=O)cc1 92261503 SSQNTMCQLRIRDD-UHFFFAOYSA-N 294.398 3.833 30 20 CHED CC1CCN(c2ccc(Br)cc2C#N)CC1 96731032 QPAOEJQYLKDDRW-UHFFFAOYSA-N 279.181 3.557 30 20 CHED C=CCN1C(=O)c2ccccc2NC12CCC(C)(C#N)CC2 334884385 WXJHUULYQFUQNS-UHFFFAOYSA-N 295.386 3.540 30 20 CHED C=CC1CCN(c2ncnc3ccc(SC)cc23)CC1 519659567 IOMIUMWLJUBWBK-UHFFFAOYSA-N 285.416 3.754 30 20 CHED C=CCC[C@H](C)NC[C@@H]1CCCN(c2ccccc2)C1 433087622 JMJAZDJORUSOTL-IRXDYDNUSA-N 272.436 3.847 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H](CCC)NC(C)C 510138207 BPMXPFCWQNGTRG-QGZVFWFLSA-N 288.435 3.910 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)CCCc1ccccc1 432560531 VAWJTVXZTYFPFZ-UHFFFAOYSA-N 288.435 3.863 30 20 CHED C=CCC[C@@H](NC(C)=O)c1ccc(C(F)(F)F)cc1 337697934 ZKNGGVAJGBLYAP-CYBMUJFWSA-N 271.282 3.849 30 20 CHED CCOc1ccc(OC)cc1NCC#Cc1ccc(F)cc1 433488898 PUFVJXFPTLWFSB-UHFFFAOYSA-N 299.345 3.697 30 20 CHED CCN(Cc1cc(Cl)cc(Cl)c1O)C[C@H](C)C#N 91983350 NIDJREKFEHWEEX-SECBINFHSA-N 287.190 3.681 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2cnccc2C#N)C1 94158886 IMRYEKZIPAGAQW-SFHVURJKSA-N 277.371 3.511 30 20 CHED N#CCOc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 249336925 ZJQIRKNMFSONHB-VINWQNLFSA-N 296.414 3.503 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C1CCC1 437897289 NPJCYIYPCKHUAT-UHFFFAOYSA-N 294.345 3.923 30 20 CHED CCOc1ccc(C#N)cc1NCCCC1CCOCC1 347430513 DBVKBYOXGXFMFU-UHFFFAOYSA-N 288.391 3.576 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)Cc1ccc(C#N)cc1 524724846 QZBYBBJLGDXSPO-SFHVURJKSA-N 298.430 3.918 30 20 CHED C=C1CCN(c2nc(C)nc3sc4c(c23)CCC4)CC1 341936087 PMPKONFECZFZPD-UHFFFAOYSA-N 285.416 3.645 30 20 CHED C[C@H](C1CC1)N(Cc1ccc(C#N)cc1Cl)C1CC1 439443026 UBSKDBAQDVGJCF-LLVKDONJSA-N 274.795 3.975 30 20 CHED Cc1sc(NC(=O)C(C)(C)C(C)C)c(C#N)c1C 439214317 SLFVNXZKFPXVEM-UHFFFAOYSA-N 264.394 3.857 30 20 CHED CSc1ccc(C(=O)/C=C\c2cnc3ccccn23)cc1 255229202 OHQWDVQCUONNCF-YFHOEESVSA-N 294.379 3.952 30 20 CHED N#CC1(CSCc2ncccc2C(F)(F)F)CC1 432236186 QXJKQBXPDDUZDV-UHFFFAOYSA-N 272.295 3.637 30 20 CHED Cc1cccc([C@H]2CCN(C[C@@H](C)CCC#N)C2)c1 602610424 WWPXEALNUZOVKD-RDJZCZTQSA-N 256.393 3.724 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N[C@H](C#N)CC(C)C 609627354 CFMZFINLSBUSTL-CABCVRRESA-N 264.413 3.647 30 20 CHED Fc1ccc(F)c(CON=Cc2ccccc2F)c1 255277730 RHMGIIBBPDSRDL-UHFFFAOYSA-N 265.234 3.655 30 20 CHED Oc1ccccc1/C=N\[C@H](C[C@@H]1CCOC1)c1ccccc1 255657961 NPJZBJWQZGWIBJ-DDHOMVQLSA-N 295.382 3.979 30 20 CHED CCC(CC)CC(=O)N(CC#N)c1ccc(F)cc1C 602387027 OJKJKLUHJNFTBZ-UHFFFAOYSA-N 276.355 3.817 30 20 CHED N#CCCC1CCN(C(=O)NCCCC2CCCC2)CC1 521035968 GXTBQCRFGQAVAP-UHFFFAOYSA-N 291.439 3.682 30 20 CHED CC(C)c1ncc(CN(C)CCCCC(C)(C)C#N)cn1 440479905 HZJLMSNZEBZYDJ-UHFFFAOYSA-N 288.439 3.752 30 20 CHED CC[C@@H](NCCCOC1CCCC1)c1ccc(C#N)cc1 447531964 RPHHQXRWIHTVAI-GOSISDBHSA-N 286.419 3.948 30 20 CHED C=CCC1(C(=O)NCc2ccc(C)c(OC)c2)CCCC1 449800226 FHVVIIZSHMFVFL-UHFFFAOYSA-N 287.403 3.756 30 20 CHED Cc1cc(CNCCCCN2CCCC[C@@H]2C)ccc1C#N 443990565 TWMDUKJXVIQYAV-KRWDZBQOSA-N 299.462 3.611 30 20 CHED CC1(C)CCCN(CCOC2CCCCCC2)[C@H]1C#N 444729283 GRSAITXFWJRAGU-INIZCTEOSA-N 278.440 3.740 30 20 CHED COc1cc(C#N)ccc1CN1CCCCC(C)(C)C1 446071220 IQZYSLCGKTYUGT-UHFFFAOYSA-N 272.392 3.579 30 20 CHED CC(C)(CCC#N)CNC(=O)NCc1coc2ccccc12 353300068 BLIYVUJAMZKVTB-UHFFFAOYSA-N 299.374 3.562 30 20 CHED C=CCC1(CNCc2c(C)nn(CC)c2C)CCCC1 449603376 GGLJPDKTIHOPQD-UHFFFAOYSA-N 275.440 3.746 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 535888908 QBGFHUUJUMEXRM-CKEIUWERSA-N 276.424 3.791 30 20 CHED COc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 353306134 PVSPSPHIOVVCDO-OAHLLOKOSA-N 294.354 3.721 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H](C(C)C)CC1)OCC 533684323 IEJORLIQMUTQTD-HOTGVXAUSA-N 281.440 3.642 30 20 CHED C[C@@H]1CCC[C@](CNC2CCC(C)(C#N)CC2)(N(C)C)C1 449086695 SIGKKDUGEORHHS-CPFNUKBASA-N 291.483 3.559 30 20 CHED N#Cc1ccc(N2CCC(Oc3ccccc3)CC2)c(F)c1 357167519 CYPAUDCHPWJSOR-UHFFFAOYSA-N 296.345 3.745 30 20 CHED C=CCNC(=O)[C@@H](Cc1c(C)cc(C)cc1C)C(F)(F)F 535963807 MZYSQBLLJIEQLJ-CQSZACIVSA-N 299.336 3.635 30 20 CHED C[C@@H]1CC(C(=O)N(CCC#N)CC(C)(C)C)C[C@@H](C)C1 355511518 PBGQQCOQDSCAQG-KBPBESRZSA-N 278.440 3.847 30 20 CHED C=C(C)CCNCc1c(C)nn(-c2ccc(F)cc2)c1C 449475931 LZMZMAOGVFEWIA-UHFFFAOYSA-N 287.382 3.684 30 20 CHED Cc1ccc(-c2nc(CN3CCC[C@](C)(C#N)C3)co2)cc1 612161387 DISPKVLGAUCQBV-GOSISDBHSA-N 295.386 3.776 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2F)C1 617783201 VVTYOTQGMQXEKN-JTQLQIEISA-N 283.293 3.532 30 20 CHED Cc1ccc(-c2csc(NC(=O)[C@]3(C#N)C[C@H]3C)n2)cc1 448938257 PXTISFHNMJAWTF-BZNIZROVSA-N 297.383 3.607 30 20 CHED N#Cc1cc(F)ccc1N1CCC(Oc2ccccc2)CC1 357172675 MVTBYUKEPHEMNI-UHFFFAOYSA-N 296.345 3.745 30 20 CHED C=CCCCCCN(C)C(=O)Cc1c(CC)noc1CC 446043897 CMSXKNIRWSEJMM-UHFFFAOYSA-N 292.423 3.547 30 20 CHED Cc1c(CN[C@@H]2CC[C@@H](C#N)C2)oc2ccc(F)cc12 442785401 XOJRWZFNQXWFTB-DGCLKSJQSA-N 272.323 3.662 30 20 CHED C=C(C)COCCNc1ncnc2sc3ccccc3c12 440652548 YNQKYWJTAPFGGH-UHFFFAOYSA-N 299.399 3.849 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCC1 610550628 BPPVRSHGRKPBKL-LBPRGKRZSA-N 287.407 3.880 30 20 CHED Cc1nc(NC(=O)[C@@H](C)C(C)(C)C)sc1SCC#N 359691867 CAZIJPJXEJSBCA-MRVPVSSYSA-N 297.449 3.688 30 20 CHED CC1(C)Cc2cccc(N[C@@H]3CCC[C@@H](C#N)C3)c2O1 618577406 GAWUDULXTCYDKV-TZMCWYRMSA-N 270.376 3.894 30 20 CHED C=CCC1(C(=O)NCC(C)(C)C2=CCCC2)CCC1 457191474 ZVGITJFYJYDJPQ-UHFFFAOYSA-N 261.409 3.986 30 20 CHED CC(C)c1cnc(S[C@@H](C#N)Cc2ccccc2)n1C 610480672 LPQNHIQMZJLQTH-CQSZACIVSA-N 285.416 3.770 30 20 CHED CCc1ccc(NC(=O)Nc2ccc(F)cc2C#N)cc1 530960793 JJGPFLVMRORDBQ-UHFFFAOYSA-N 283.306 3.904 30 20 CHED N#Cc1ccc(COc2cc(Cl)ccc2F)cc1 534525534 GIZNRNWOSBMDMD-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CCc1ccc([C@H](C)NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612092695 PTINQZKYEOVNPW-KSSFIOAISA-N 299.418 3.645 30 20 CHED C=CCC[C@@H](CO)Nc1ccnc2c(Cl)cccc12 450911594 KIMRAGRUHIZKRO-NSHDSACASA-N 276.767 3.627 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@H](C(C)(C)C)C1)C1CC1 536834717 SZWSOEZEJMLVGT-PMPSAXMXSA-N 265.441 3.915 30 20 CHED C=C(C)CCNC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 458997229 IYBKDLOCJWBIFK-CHWSQXEVSA-N 252.402 3.561 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 456810700 GLGNYAYWEDIYPG-NXEZZACHSA-N 269.797 3.587 30 20 CHED CC[C@H](NCC1(CCOC)CCC1)c1ccc(C#N)cc1 278707880 LJRRWAQFXFEMAJ-KRWDZBQOSA-N 286.419 3.806 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn([C@H](C)CC)c1C 361306282 UKEPFSGUJFEAGF-GFCCVEGCSA-N 275.396 3.869 30 20 CHED CC(C)n1cc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cn1 618806237 PBGQWOKSNUJWAS-ACJLOTCBSA-N 294.402 3.674 30 20 CHED C[C@@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1c[nH]c2ccccc12 278948607 GXSFTTJTNJJHNU-LRDDRELGSA-N 297.402 3.716 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)C2CCC2)C1 549527964 ZCBTVSFVFDXMDZ-COXVUDFISA-N 254.377 3.810 30 20 CHED C=CCCCCCN(C)C(=O)NCCC[C@@H]1CCCCO1 546895437 PWNLHILLXOAEFW-INIZCTEOSA-N 296.455 3.724 30 20 CHED C=CCC1(CN[C@H]2CCCc3nn(C)cc32)CCCC1 453388854 WYTIVYKYSVMGJS-HNNXBMFYSA-N 273.424 3.524 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)o1 459668367 PQRHGQWXVLQNFV-BXUZGUMPSA-N 290.725 3.589 30 20 CHED C=CCN(C(=O)Nc1cc(F)c(SC)c(F)c1)C1CC1 273097967 KBVFRWMCCHFYOX-UHFFFAOYSA-N 298.358 3.869 30 20 CHED C=CCCCCNC(=O)c1c(-c2ccccc2)noc1C 274572754 AZVVCKPIMJTUNS-UHFFFAOYSA-N 284.359 3.736 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@@H](C)C1 362397921 TZWTZDGSQIBMSO-CYBMUJFWSA-N 275.417 3.837 30 20 CHED COc1ccccc1[C@H](C)Sc1ccc(C#N)cn1 361281525 OQWUULMFLVLTLZ-NSHDSACASA-N 270.357 3.815 30 20 CHED C=CCCCN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273420737 JQKOLJLCBHYDQU-SJORKVTESA-N 277.383 3.944 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H]1CCCc2sccc21)OCC 274304303 GEPIJLXYWSHKQR-ZIAGYGMSSA-N 293.432 3.613 30 20 CHED C=C(C)CN(CC)Cc1cn(C)nc1C1CCCCC1 543397507 RJJCHCBNPDUVCI-UHFFFAOYSA-N 275.440 3.866 30 20 CHED C=CCCOCCCCC(=O)N1Cc2ccc(C)cc2C1 361324316 HCDATBGXRCEUDU-UHFFFAOYSA-N 287.403 3.600 30 20 CHED CC(C)(CC#N)CNC1CC(C)(c2ccccc2)C1 459729658 KPDQUNYSEJOWEA-UHFFFAOYSA-N 256.393 3.636 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(C)c(OC)c2)no1 546984445 ZCOLGOBHOLOCEZ-LBPRGKRZSA-N 288.347 3.707 30 20 CHED C=CC[C@H](C(=O)NC[C@@H](OC)[C@@H](C)CC)c1ccccc1 452417411 RVBPSJNQMLNNLP-BHYGNILZSA-N 289.419 3.524 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(Cl)cc1F 620863853 FNWMRDSPXWXKIU-UHFFFAOYSA-N 269.747 3.954 30 20 CHED C=CCC[C@@H](C)NC[C@@H]1SCCc2ccccc21 542704772 ISLKVDSJBZVPJY-CJNGLKHVSA-N 261.434 3.961 30 20 CHED CCC[C@H](NCc1cccc(C#N)c1)[C@@H](O)c1ccccc1 279730305 VXIGAOLIRKRYIW-OALUTQOASA-N 294.398 3.550 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1ccc(C)cc1)OCC 270037290 NGZHCRUSNCKLGI-GOEBONIOSA-N 275.392 3.544 30 20 CHED C=CCC1(NC(=O)[C@H](CCC)OCC)CCCCC1 627659517 WHSUTUOGIKEVIT-AWEZNQCLSA-N 267.413 3.587 30 20 CHED C=C(CC)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 540242225 TUAGNPOKMNXIMX-UHFFFAOYSA-N 260.337 3.525 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)Nc1nc(C)ccc1C#N 271868678 RQOQHEARKDNKCE-WBMJQRKESA-N 299.349 3.589 30 20 CHED CCCC[C@H](C)N(C)C(=O)[C@@H](C)c1cccc(C#N)c1 462459355 NDCVFSHVPBCUMX-KBPBESRZSA-N 272.392 3.699 30 20 CHED Cc1cc(F)cc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 544417858 DUEOLNXLKKRRTM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H](SCCCCC(C)(C)C#N)c1cnccn1 277796951 HPHDWOYPDVSFKV-GFCCVEGCSA-N 263.410 3.991 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1nc2ccccc2o1 540534261 KQGSNRMULRRPNO-CYBMUJFWSA-N 286.375 3.621 30 20 CHED C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1cccc(C#N)c1 546653519 NXFDYMIWGIKCPO-CYBMUJFWSA-N 295.342 3.900 30 20 CHED C=CCN(C(=O)c1ccc(OCC)c(OC)c1)C(C)(C)C 622942861 BZXVJRPXAYTRKE-UHFFFAOYSA-N 291.391 3.521 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(CC(C)(C)C)nn1C 555962670 YRCCYTANFSEVRE-UHFFFAOYSA-N 277.412 3.550 30 20 CHED Cn1c(CCSCCC(C)(C)C#N)nc2ccccc21 289382315 KRWDLKLAECEMBF-UHFFFAOYSA-N 287.432 3.789 30 20 CHED CCC(CC)N=c1c(C#N)c[nH]c2c(C)cc(F)cc12 461450711 ASXAQGMRDHTVTA-UHFFFAOYSA-N 271.339 3.576 30 20 CHED CCc1ccc(CN(C)c2snc(C)c2C#N)cc1 557453759 BPSHVZXGAHBBFH-UHFFFAOYSA-N 271.389 3.522 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(C(C)(C)C)s1 280599086 JCYDVMWMCKIOMP-IUODEOHRSA-N 294.464 3.511 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cccc(CO)c2)cc1 287583122 RDBIXCNCAGXGNX-OAHLLOKOSA-N 297.398 3.595 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1c(C)coc1C 283998058 NLPFUTRHQUAVLR-UHFFFAOYSA-N 276.380 3.689 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 550701090 HONXMGJSBHENBX-ZIAGYGMSSA-N 251.414 3.920 30 20 CHED Cc1ccc2c(C(=O)N[C@@H](C#N)C(C)(C)C)csc2c1 464712569 PMQCJTNDJROPMS-AWEZNQCLSA-N 286.400 3.878 30 20 CHED C=CCCCCNC(=O)N1CCC2(CCSCC2)CC1 633173391 ZLIORUUDYDMNQJ-UHFFFAOYSA-N 296.480 3.662 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc3ncccc3c2)no1 550982345 GXQJGJMABJADKA-UHFFFAOYSA-N 287.269 3.953 30 20 CHED C[C@H](CCC1CC1)NC(=O)Nc1ccc(C#N)cc1Cl 469685164 MSGXQFOMCWBRAI-SNVBAGLBSA-N 291.782 3.912 30 20 CHED C#Cc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 289164775 DWCWEZRODNXQEX-SFHVURJKSA-N 277.367 3.671 30 20 CHED COc1ccc(C)cc1NCCCOc1cccc(C#N)c1 477590825 UVOXQITWJLQTGJ-UHFFFAOYSA-N 296.370 3.756 30 20 CHED CC#CCCCC(=O)Nc1c(F)cccc1Cl 637105458 UEFXVDBRQPGCEG-UHFFFAOYSA-N 253.704 3.611 30 20 CHED C=CCCCCNC(=O)c1cc2cc(C)ccc2nc1C 471668209 PEABOULFXATABM-UHFFFAOYSA-N 282.387 3.938 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCCOC1 388973804 YPMDOAXRGZZFRT-MNOVXSKESA-N 298.308 3.804 30 20 CHED C=CCCCCCCCCNC(=O)N1CC[C@@](F)(C#N)C1 806081543 PEVBUXPKJPEQLC-MRXNPFEDSA-N 295.402 3.550 30 20 CHED C#CCC(C)(C)c1nc(C(F)(F)c2ccc(F)cc2)no1 809362840 KAYBRGDMWBQBQS-UHFFFAOYSA-N 294.276 3.650 30 20 CHED C[C@@H](CCCCO)Nc1cc(C#N)ccc1C(F)(F)F 296379864 UAKSJOLFBQLRCM-JTQLQIEISA-N 286.297 3.540 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccc(F)cc1)C(C)(C)C 474156265 UIECMIZIGJJXCV-MRXNPFEDSA-N 279.399 3.753 30 20 CHED C#C[C@H](CCC)NC(=O)c1sc2cc(F)ccc2c1C 805200635 HMUPLTGWACTILM-GFCCVEGCSA-N 289.375 3.881 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H]2CC[C@H](C)C2)o1 800811418 UJVYUNOBZABTTL-WDEREUQCSA-N 260.341 3.504 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)Cc2ccc(C)s2)CC1 476102047 YCZMOTCKESYXPF-LBPRGKRZSA-N 277.433 3.850 30 20 CHED C=CCC[C@@H](NCCCc1cncn1C)c1ccccc1 566922449 HUTMCDWDJTVFKZ-GOSISDBHSA-N 283.419 3.650 30 20 CHED N#CCCCC(=O)Nc1ccccc1CCC(F)(F)F 291365819 PXDYWASRWMVWEM-UHFFFAOYSA-N 284.281 3.814 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2)c(C)c1OC 807943516 VQZYDCPQGMZROM-UHFFFAOYSA-N 288.322 3.597 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(SC(F)F)c1 806252794 KGJXBUVHTJOYJO-SNVBAGLBSA-N 298.358 3.925 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc2cccc(C)c2s1 561391084 WVDUQURFZNPCKE-NSHDSACASA-N 286.400 3.832 30 20 CHED COc1cccc(O)c1C=Nc1cc(Cl)ccc1F 812394179 PZUJSWLNMPTWDL-UHFFFAOYSA-N 279.698 3.944 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1cccc(NC(=O)C2CC2)c1 819947827 QYPLYCRVYHZMAN-UHFFFAOYSA-N 287.359 3.543 30 20 CHED CCCOc1ccccc1N=Cc1c(O)cccc1OC 812393944 MDACDQVNVZXNDL-UHFFFAOYSA-N 285.343 3.940 30 20 CHED CCCCCCCCC(=O)N[C@H]1C[C@@H]1c1cccnc1 816490774 GMYIIOJVLIATQY-CVEARBPZSA-N 274.408 3.804 30 20 CHED C=CCCCCCCCNC(=O)NCc1ccc(F)cn1 812168139 MGPMRNHFQQCYKY-UHFFFAOYSA-N 293.386 3.547 30 20 CHED CC(C)OCCON=C1CCC[C@H](C(F)(F)F)C1 812237665 JSOHSKGKRVNKPI-JTQLQIEISA-N 267.291 3.537 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1[C@H](C)CC 815663129 ODHXCSFZMKZFFL-VXGBXAGGSA-N 259.340 3.625 30 20 CHED C=CCC1(N[C@@H](C)Cc2ccccc2C)CCOCC1 657633418 OPVRZFMZQSDZTB-INIZCTEOSA-N 273.420 3.641 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)[C@H](C)C1CCCCC1 480351974 HLEJNAQEFKDCQB-SOUVJXGZSA-N 281.440 3.689 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)c1ccc(C#N)s1 489318858 AWXRMKCZLMITPR-GFCCVEGCSA-N 276.405 3.661 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCc1nn(C)c2ccccc12 657981478 IOGHIYZKGDSZBP-DOTOQJQBSA-N 297.446 3.840 30 20 CHED Cc1c(C=NNc2cccc(Cl)n2)n(C)c2ccccc12 814939089 DTXZQFDXJZVRNG-UHFFFAOYSA-N 298.777 3.981 30 20 CHED FC(F)(F)c1cccnc1NN=C1CC[C@H]1C1CC1 814802023 WZADHEJUHWFBKP-VIFPVBQESA-N 269.270 3.688 30 20 CHED C=CCCN[C@H](C)CC(=O)Nc1ccccc1C(C)C 658116950 PCTJCWGHBQAPNT-CQSZACIVSA-N 274.408 3.693 30 20 CHED C=CCC[C@H](NC[C@@H](C#N)CCC#N)c1ccccc1 570710967 PAQJGHHQYXSWNH-WBVHZDCISA-N 267.376 3.727 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cccc(F)c1C#N 811689003 VCJYKQNYJUBNHT-VQHVLOKHSA-N 295.313 3.911 30 20 CHED C#CCN(C(=O)c1ccc(C(C)C)cn1)C1CCCCC1 812946422 UPCLCMWJKDPWJB-UHFFFAOYSA-N 284.403 3.613 30 20 CHED CC(=NOC1CCC1)c1cc(Cl)cc(C)c1O 812236323 KMYCETCNQIOPDN-UHFFFAOYSA-N 253.729 3.647 30 20 CHED CCCCCCCSc1nnc(N(C)C)n1C(C)C 728788186 GUPGNIIWGARJTL-UHFFFAOYSA-N 284.473 3.988 30 20 CHED N#CCCN(Cc1cc2ccc(F)cc2[nH]1)Cc1ccco1 488345765 IHASRWWMSROZQN-UHFFFAOYSA-N 297.333 3.816 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](C)CCC)c1ccc(Cl)cc1 811853033 YEKLXYBIZSZXNK-SMDDNHRTSA-N 278.783 3.502 30 20 CHED C=CCN(CCOC)[C@@H](C)CCSc1ccccc1 484587779 VFOYMNSBPXJDES-HNNXBMFYSA-N 279.449 3.692 30 20 CHED Cc1ccc(NN=Cc2cccc(OC3CCCC3)c2)nn1 729938281 SODREWRAVQXBCI-UHFFFAOYSA-N 296.374 3.552 30 20 CHED CN(C)c1ccccc1CNN=C1CCC[C@H]1C(C)(C)C#N 814926032 QRIDKVMQJPGSFV-OAHLLOKOSA-N 298.434 3.548 30 20 CHED Cc1nc(C)c(CN2CCCc3cc(C#N)ccc32)s1 579241802 IXQUJSBPNJLQAJ-UHFFFAOYSA-N 283.400 3.584 30 20 CHED Cc1ccccc1C(=O)O[C@H](C)c1cccc(C#N)c1 727640283 FCBJNOCJYCAUMZ-CYBMUJFWSA-N 265.312 3.785 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C/c1cccc(F)c1 729444683 AVFKLTQACFMEAX-CMDGGOBGSA-N 288.366 3.627 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H]2CCCC[C@@H]2C)c1 728481761 VAQCQVUPVMCADY-HOCLYGCPSA-N 269.388 3.847 30 20 CHED C=CCC1(NC(=O)c2ccnn2CC(C)C)CCCCC1 572407623 QBXALHQFKAIYKB-UHFFFAOYSA-N 289.423 3.548 30 20 CHED COc1cccc(C(=O)/C=C/C2=Cc3ccccc3OC2)c1 726742354 PJUQXQMMIHMFPI-MDZDMXLPSA-N 292.334 3.910 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1c1nccc(C#N)c1Cl 573870884 MLBWTCGLHDYTJV-DOMZBBRYSA-N 297.789 3.989 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CCSC)CCCCC1 825941319 UAYJYEQTLKVAPI-ZDUSSCGKSA-N 269.454 3.771 30 20 CHED C=CCN(Cc1nnc(-c2ccccc2)s1)C(C)(C)C 661759751 KFMBWNCJVSZOTP-UHFFFAOYSA-N 287.432 3.992 30 20 CHED Clc1cncc(NN=C(Cc2ccccc2)C2CC2)n1 729142593 VXBXPGVCCGTZTK-UHFFFAOYSA-N 286.766 3.551 30 20 CHED C=CCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 726498188 IDMKUPFFZMRQGT-UHFFFAOYSA-N 272.392 3.828 30 20 CHED C(=NNCCCc1ccccc1)c1cccc2cccnc12 729146106 LLDRYVZBRZHFMJ-UHFFFAOYSA-N 289.382 3.791 30 20 CHED N#CC1(N(C(=O)c2cc(F)cc3ccoc23)C2CC2)CCC1 904820641 ZSDNCUWOCXJMJP-UHFFFAOYSA-N 298.317 3.623 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2cc3n(n2)CCC3)c1 901561535 PMIDRPPKOZWRLB-HJWRWDBZSA-N 296.370 3.514 30 20 CHED CCCCCCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 822587566 DQFPTSYIYQOTIH-AWEZNQCLSA-N 287.407 3.841 30 20 CHED C=C(C)C[C@H](N[C@@H]1CC[C@](C)(c2ccccc2)C1)C(=O)O 901680344 WNMAUWDKRDQVCP-RYRKJORJSA-N 287.403 3.506 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc3ccccc3c2O)C1 826861392 FQIGDVYGISNSKU-CQSZACIVSA-N 280.371 3.671 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C/c1cccc(F)c1F)O2 730729260 GPNMVKWAKNABME-MLPAPPSSSA-N 288.249 3.595 30 20 CHED CC[C@H]1CCCC(=NNC(=S)NC2CCCCC2)C1 734977360 OYKFVWHLBFHWQU-LBPRGKRZSA-N 281.469 3.739 30 20 CHED CC[C@H](NCC[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(C#N)c1 903018179 YKGFOWURJLOJIL-ZJPYXAASSA-N 284.403 3.557 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC(C)(C)c1cccs1 495213107 WAIDNODYQMDZLV-CYBMUJFWSA-N 292.448 3.776 30 20 CHED C=C(Cl)CNC(=O)CCc1ccc(C(C)C)cc1 736243270 YATHZEODPFNHET-UHFFFAOYSA-N 265.784 3.611 30 20 CHED CC[C@H](NCC(C)(C)SC)c1cccc(C#N)c1 902828108 WLVSSLHBNJGDPE-AWEZNQCLSA-N 262.422 3.741 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC(F)(F)F)C1CCC1 903757372 CUNGRGNPVUOVTQ-JTQLQIEISA-N 263.303 3.532 30 20 CHED C=CC[C@H](NC(=O)N(C)[C@H](C)c1ccco1)c1ccncc1 734682392 COWYNHOIYVTAHN-HIFRSBDPSA-N 299.374 3.694 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(C)s1 830048493 OVRRABHRXUWADL-LBPRGKRZSA-N 281.446 3.738 30 20 CHED N#CCCCCCC(=O)N[C@@H]1C[C@H]1C1CCCCC1 588159353 QCLCTJPAMBEAKE-LSDHHAIUSA-N 262.397 3.545 30 20 CHED Cc1ccc2cc([C@H](C)NCC(C)(C)C#N)oc2c1 903101878 OOIZIACFLPKIGC-LBPRGKRZSA-N 256.349 3.942 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1csc(Cl)c1 903032659 LEVPNJYFMWWPHT-SECBINFHSA-N 254.786 3.746 30 20 CHED C#CC[C@@H](NC(=O)N[C@@]1(C)CC=CCC1)c1ccccc1 838535001 LGMGQZYCKDKDJH-AEFFLSMTSA-N 282.387 3.549 30 20 CHED N#CC1(CN[C@H](Cc2ccccc2Cl)C2CC2)CC1 903106146 MYKZJJBCZORYCX-OAHLLOKOSA-N 274.795 3.554 30 20 CHED C#CCOc1cccc(COC(=O)/C=C\c2cccs2)c1 730402312 AORPCHOWVLNJNZ-HJWRWDBZSA-N 298.363 3.517 30 20 CHED C=C(CNC(=O)Cc1cccc(Cl)c1)c1ccccc1 672481374 RNPRUADCTSWOKR-UHFFFAOYSA-N 285.774 3.712 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2cc(C)ccc2F)cc1 588419420 JPXVLXVGLKJPAP-POHAHGRESA-N 297.329 3.989 30 20 CHED C=CC[C@@H](NC(=O)/C=C\C1CCCCC1)c1ccncc1 735472560 UGJWYWMAOZHIDK-DOOKAGJSSA-N 284.403 3.952 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@@H]2C=CCCC2)cc1 580124455 KJIJGKAWSJXGGV-WBVHZDCISA-N 282.387 3.676 30 20 CHED CC[C@@](C)(C=NOc1ccccc1C(F)(F)F)OC 834966533 JPTNLSLGBWWUOH-LBPRGKRZSA-N 275.270 3.885 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(C)nc2ccccc12 835159958 VRCOFJHTTBVSKL-UHFFFAOYSA-N 269.344 3.799 30 20 CHED C=CCC1(C(=O)OCCC[C@H]2CCCO2)CCCC1 835300630 OZUPUGOCQYYEMH-CQSZACIVSA-N 266.381 3.625 30 20 CHED Cc1oc(-c2ccccc2)nc1CN1CCC[C@H](CC#N)C1 595609675 NTQWQICJSLZGHS-OAHLLOKOSA-N 295.386 3.776 30 20 CHED CCCCCCCCCNC(=O)[C@@H]1Cc2ccccc2O1 913037234 PXXDBUWVWOIRSZ-KRWDZBQOSA-N 289.419 3.857 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1C2CCCC1CCC2 741994534 MHMXDMHIHHTCEU-QXMHVHEDSA-N 280.371 3.505 30 20 CHED C=CCCSCCN[C@@H](C)[C@@H](OC)c1ccccc1 595057259 BWYHIPHQCJIKEH-GOEBONIOSA-N 279.449 3.662 30 20 CHED CN(CCC(C)(C)C)C(=O)Nc1ccc(F)cc1C#N 592235391 QZWHCBOBHJMTBV-UHFFFAOYSA-N 277.343 3.597 30 20 CHED N#Cc1ccc(SC[C@@H]2CC2(Cl)Cl)c(F)c1 741859071 KBMOERWFPCAZBX-QMMMGPOBSA-N 276.163 3.983 30 20 CHED CSc1ccc(C=NNCc2ccc(F)c(F)c2)cc1 915975320 RWWWGDHOVYOLQS-UHFFFAOYSA-N 292.354 3.810 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccccc1Cl 840797178 RUQZQUDZFKBTAV-UHFFFAOYSA-N 268.813 3.839 30 20 CHED C#CC1CCN(C(=O)CCc2ccc3ccccc3c2)CC1 843707711 BUJYNDVLRSXGPY-UHFFFAOYSA-N 291.394 3.644 30 20 CHED CC(C)c1cccc(NC(=S)N2CCC(C#N)CC2)c1 747066816 REZBAJBRORMMAU-UHFFFAOYSA-N 287.432 3.742 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)Oc2ccc(F)cc21 749747398 YKKCTMJJHBDUTQ-AUWJEWJLSA-N 258.223 3.581 30 20 CHED Cc1ccc(NC(=S)NN=C/C=C/c2ccccc2)cc1 915923314 LACGXYJNELDJLW-KHXWKLFMSA-N 295.411 3.981 30 20 CHED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)OCC#N 919509484 QAWOVYBXKVZKQW-SSDOTTSWSA-N 290.171 3.541 30 20 CHED N#CC1(CCOC(=O)/C=C\c2cccnc2)CCCCC1 910185292 BILZYACRAOMHRU-SREVYHEPSA-N 284.359 3.502 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCn2c(Cl)ccc2[C@H]1C 848088207 ZHBHHFPXYOOJNS-LLVKDONJSA-N 280.799 3.647 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CCCCCCC1 846762163 FYGVCSSWDMWFHX-OAHLLOKOSA-N 298.430 3.966 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)C(C)C 748970804 ZTZKUAVVJUTFDW-ZIAGYGMSSA-N 266.429 3.807 30 20 CHED C=CCCn1cc(/C=C\C(=O)c2ccc(C(C)C)cc2)nn1 849242993 OQGCDALDABJNOM-KHPPLWFESA-N 295.386 3.874 30 20 CHED C=CCN(Cc1cccs1)C[C@H](O)c1ccc(C)cc1 743258199 NAVXINBWPNLDHU-KRWDZBQOSA-N 287.428 3.778 30 20 CHED C[C@@H](SCCC#N)C(=O)Nc1ccc2ccccc2c1 840213983 SGDRGXBIFYLIES-GFCCVEGCSA-N 284.384 3.814 30 20 CHED CO[C@H](C)C(C)=NNc1ccc(C(F)(F)F)cc1 746578049 JZARTHCRKCNRKI-SECBINFHSA-N 260.259 3.528 30 20 CHED CC(C)(CC#N)CSc1nc2ccc(F)cc2o1 919854159 TYGMQFHYQHBPJS-UHFFFAOYSA-N 264.325 3.999 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 593556969 PGIZDVBHBRRGQX-VXGBXAGGSA-N 293.436 3.644 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)Cc1cc(Cl)cc(Cl)c1 599246037 YOCLCMPQDGDODM-AWEZNQCLSA-N 299.201 3.590 30 20 CHED Cc1ccc([C@H]2[C@H](C)CCCN2c2cc(C#N)cnn2)cc1 596154096 KVEHQHYEAMIWBP-RDTXWAMCSA-N 292.386 3.634 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1Oc1cccnc1 684141730 LWPDBHRKOBYDAW-UHFFFAOYSA-N 294.354 3.688 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@H](CC)C1)C1CCCCC1 741091433 KPZNDZGFGOWSHQ-JKSUJKDBSA-N 290.451 3.933 30 20 CHED C=CCN(C(=O)[C@@H]1SCCc2sccc21)C(C)C 742639078 QZQMESHAAUZNEA-CYBMUJFWSA-N 281.446 3.502 30 20 CHED CC1(C)CN(C(=O)C2(C#N)CCCC2)[C@@H]1c1ccccc1 592755288 QPRIOJJDGCLJLW-OAHLLOKOSA-N 282.387 3.680 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc(Cl)c(F)c1 921256053 KIIGOLQFRHEULB-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=C(C)CONC(=O)N[C@H](C)c1csc2ccccc12 845596535 VSTTUGIRSBWLEX-LLVKDONJSA-N 290.388 3.769 30 20 CHED C[C@@H](OC(=O)c1cc2occc2s1)C(C)(C)C#N 753620841 BBSZFZLZDXTNKK-MRVPVSSYSA-N 263.318 3.589 30 20 CHED C#CC1CCC(=NNc2cc(C(F)(F)F)ccn2)CC1 853352595 AVQDOAFLAPXXTF-UHFFFAOYSA-N 281.281 3.692 30 20 CHED C#Cc1cccnc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 853431900 MKLXPIGDFVFPFB-YPMHNXCESA-N 282.309 3.844 30 20 CHED C=CCC1(NC(=O)[C@@H](F)CC2CCCCC2)CCOCC1 855686923 ZBHFXFBBEBITAO-HNNXBMFYSA-N 297.414 3.536 30 20 CHED CC(=NNc1cc(C)ccn1)c1ccc(Cl)s1 755903968 UHXCXLQFMNYIMF-UHFFFAOYSA-N 265.769 3.941 30 20 CHED COc1cccc(/C=C2\Cc3cc(C)ccc3C2=O)c1 921264647 WQSHSVSIOYTSMK-OQLLNIDSSA-N 264.324 3.826 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1cc(Cl)ccc1O 755599310 PNWWHLJJOLQUPR-RJRFIUFISA-N 292.693 3.786 30 20 CHED CNc1ccc(C(=O)OCCCC(C)(C)C#N)c(Cl)c1 922989322 JFFMHGHWGLJNQY-UHFFFAOYSA-N 294.782 3.868 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(C)cc2O)cc1 757474668 CWTXBNGTMMUBQY-CSKARUKUSA-N 282.339 3.743 30 20 CHED C=CCCOCC(=O)OCc1c(Cl)cccc1Cl 920723001 GFBURJXRODRXFQ-UHFFFAOYSA-N 289.158 3.629 30 20 CHED O=C1/C(=C/c2cccc3c2OCO3)Cc2c(Cl)cccc21 921263645 HXVFXORMBMHFAG-YRNVUSSQSA-N 298.725 3.891 30 20 CHED C#Cc1ccccc1C(C)=NNc1ncccc1Cl 753697308 MJHJJMYAFQZHDH-UHFFFAOYSA-N 269.735 3.552 30 20 CHED C=C(Cl)CNC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 758807276 BZPQURRHDZODKP-AWEZNQCLSA-N 296.773 3.637 30 20 CHED CC(C)c1ncsc1C(=O)O[C@@H](C)CC(C)(C)C#N 851204692 CHFULIQNJQNFNU-JTQLQIEISA-N 280.393 3.752 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H]1c1ccc(F)cc1 855564246 FPIUWKPMUMGYCW-MRXNPFEDSA-N 273.351 3.683 30 20 CHED Cc1ccccc1C=NNCc1cccc(Cl)c1 756827511 OUJJPXHCIBZMME-UHFFFAOYSA-N 258.752 3.772 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1CC[C@H](C)C1 759171451 GGDOKAGPRPSPQL-HOCLYGCPSA-N 287.378 3.614 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C)c(OC(C)C)c2)CC1 931104886 ZUPUBTMGRKJTOV-UHFFFAOYSA-N 288.391 3.966 30 20 CHED CC(C)c1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)n1 762092434 UGMFEVZUJAISKZ-CYBMUJFWSA-N 294.354 3.995 30 20 CHED C#CCCN(Cc1cscc1Cl)CC(F)(F)F 768531964 IVWYOKKOCSAFEK-UHFFFAOYSA-N 281.730 3.789 30 20 CHED CC(=NNc1ccccc1F)c1ccc(C(C)(C)O)cc1 767356383 QPIJZYABJQYPQH-UHFFFAOYSA-N 286.350 3.889 30 20 CHED C=C(CC)CNC(=O)Nc1c(C(C)C)nc2ccccn12 933752768 IPNJHVOYJAYBIZ-UHFFFAOYSA-N 286.379 3.545 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccc(Br)c(F)c1 769827764 JLVHAINKJFLCJX-YUMQZZPRSA-N 271.133 3.642 30 20 CHED C[C@@H]1CC(C)(C)c2cccc(NC(=O)NCCC#N)c21 932640599 BYCNRDTXJFTMPM-LLVKDONJSA-N 271.364 3.507 30 20 CHED CC(=NOCC(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 764836325 RYVJKRHFHGKWSD-UHFFFAOYSA-N 296.632 3.551 30 20 CHED CC1(C)C[C@H](/N=C/c2ccc(O)c(O)c2O)c2ccccc21 769775377 WKGJAJPSJGKPQG-FVOVHSBVSA-N 297.354 3.645 30 20 CHED Clc1cccnc1NN=Cc1cnc(C2CCC2)s1 760252954 GWWJVSSFDKLHHE-UHFFFAOYSA-N 292.795 3.905 30 20 CHED C=C(C)COC(=O)c1cnc(Cl)c2ccccc12 769181007 BGOAAUTZLIDPBT-UHFFFAOYSA-N 261.708 3.621 30 20 CHED Cc1ccc(C=NNc2cccc3ccccc23)cn1 764912507 XCFMRRKFSQGZHL-UHFFFAOYSA-N 261.328 3.989 30 20 CHED CCC(C)(CC)C(=O)OCC#Cc1ccc(F)cc1 767620040 CAPWWSKFCBPAOO-UHFFFAOYSA-N 262.324 3.547 30 20 CHED C#CCCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767886632 YSLHOZJCZBHWHW-ZDUSSCGKSA-N 267.294 3.518 30 20 CHED O=[N+]([O-])c1cc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1F 769829188 DOSWUQFMLWVBMZ-DCAQKATOSA-N 277.299 3.568 30 20 CHED C#CCCc1noc(-c2ccc(Cl)cc2Cl)n1 761999806 WJCZRYNCQMDTRB-UHFFFAOYSA-N 267.115 3.609 30 20 CHED C#CCN(Cc1ccc(Oc2ccccc2)o1)C1CC1 764678029 ZJXBNUISHZTVCZ-UHFFFAOYSA-N 267.328 3.670 30 20 CHED CC(C)(C)ON=Cc1ccc(NC(=O)OC(C)(C)C)nc1 1116408505 FOERTGIRJKTYBR-UHFFFAOYSA-N 293.367 3.578 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCc2ccc(F)cc21 1116799001 ZZSVCHALXLYEEW-MRXNPFEDSA-N 277.302 3.668 30 20 CHED CC[C@H](C)c1nnc(C2(c3cccc(C#N)c3)CC2)o1 1117212242 MNJJCKBPVRFYTQ-NSHDSACASA-N 267.332 3.535 30 20 CHED C=CCn1cnnc1SCC1CCCCCC1 1116595048 PHKDXBHFPXXXFL-UHFFFAOYSA-N 251.399 3.527 30 20 CHED CCOCCON=C1CCCOc2c(Cl)cc(C)cc21 774433705 MERIIDKYKPTULK-UHFFFAOYSA-N 297.782 3.578 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1Cc1ccccc1 878053263 DEOGFVBBIUWIHI-MRXNPFEDSA-N 271.404 3.822 30 20 CHED CO[C@@H]1CCCCC1=NN[C@H](Cc1ccccc1)C(C)C 777447860 KELSQGZQWPFHMQ-QZTJIDSGSA-N 288.435 3.788 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2ccc(C#N)cc2F)c1 772801203 KQJWCPMOEDTTRP-ALCCZGGFSA-N 281.286 3.608 30 20 CHED CC(CCCC(F)(F)F)=NNc1ccc(C(=O)O)cc1 774300697 HWNMPXVZMOEOOP-UHFFFAOYSA-N 288.269 3.905 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2nc3c(s2)CCCC3)c1 776266215 PWTKYUAYYZLWRL-CMDGGOBGSA-N 299.395 3.932 30 20 CHED COC[C@H](C)C(C)=NOc1ccccc1C(F)(F)F 777889969 YPKMOTWSADRHTP-VIFPVBQESA-N 275.270 3.743 30 20 CHED C=C(C)CCC(=O)N(CC)[C@H](C)c1cccc(OC)c1 1120674493 KVOLPEXHMMMMIV-CQSZACIVSA-N 275.392 3.961 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2COC)CC1 888219089 VKMWCDKECGSEER-UHFFFAOYSA-N 259.349 3.518 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)CC2(C#N)CC2)c1 775982163 SWIDGQOQOMNAKS-UHFFFAOYSA-N 286.378 3.978 30 20 CHED N#Cc1ccc(SCc2ccc(CF)cc2)nc1 777535011 JDFYUBYHAJUIRW-UHFFFAOYSA-N 258.321 3.715 30 20 CHED C#C[C@H](C)N(C)Cc1cnc(-c2ccc(C)cc2)s1 775184046 SZVRYULDQMUWQV-ZDUSSCGKSA-N 270.401 3.572 30 20 CHED C=CCOc1cccnc1C(=O)OC/C=C/c1ccccc1 775112415 ISOXSAAHTWCCBO-JXMROGBWSA-N 295.338 3.517 30 20 CHED C=CCN(Cc1c(O)ccc2ccccc12)C1CC1 771638674 DIQSYMLPPBPEME-UHFFFAOYSA-N 253.345 3.696 30 20 CHED CC[C@H]1CCCCC1=NNc1cccc([N+](=O)[O-])c1 779757430 FRRQVGLFUXEXDW-NSHDSACASA-N 261.325 3.963 30 20 CHED c1ccc(-c2nnc(NN=C3CCCCCC3)s2)nc1 788027753 VSOKNHNYLAWVGI-UHFFFAOYSA-N 287.392 3.722 30 20 CHED Clc1cncnc1NN=C(CC1CC1)c1ccccc1 780283341 ZJKSOSZWXXCWRD-UHFFFAOYSA-N 286.766 3.746 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CO[C@@H](C)C1 784072914 YFBLWCVOHGPBTA-LSDHHAIUSA-N 269.429 3.620 30 20 CHED CCC(CC)CN(CCC#N)Cc1c(Cl)c(C)nn1C 891937199 AWRDXABDWXMYTL-UHFFFAOYSA-N 296.846 3.534 30 20 CHED COc1ccc(/C=C/C(=O)OCCCC(C)(C)C#N)cc1 782022963 DCWJUXKXGXWWBM-JXMROGBWSA-N 287.359 3.582 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](F)C(C)C 784047367 HGOTWSCSKADWGC-INIZCTEOSA-N 290.382 3.537 30 20 CHED CC(C)(C#N)COC(=O)c1ccccc1Oc1cccnc1 781477211 HTHGHWPWKFQBIX-UHFFFAOYSA-N 296.326 3.580 30 20 CHED CCCc1cccc(C=NNc2ncncc2Cl)c1 780279466 MCGXYZDCVYOWRD-UHFFFAOYSA-N 274.755 3.529 30 20 CHED N#CCC1CCN(Cn2ccc(=S)c3ccccc32)CC1 781571265 AAVVXANFLAHFGQ-UHFFFAOYSA-N 297.427 3.954 30 20 CHED CC1(C#N)CCC(N[C@@H](c2ccncc2)C2CC2)CC1 898321848 WSJQWFQVGBHADQ-AQFXKWCLSA-N 269.392 3.595 30 20 CHED N#Cc1ccccc1Cn1c(=O)ccc2ccc(Cl)cc21 786894917 XQMRXXDSNGTDCS-UHFFFAOYSA-N 294.741 3.575 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@H]3c3ccc(F)cc3)n2)C1 896885240 ZJPLNCVSBXYHDO-UONOGXRCSA-N 270.307 3.913 30 20 CHED C=C1CC(c2noc([C@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 896877842 QMZYZPMSFAORGK-SNVBAGLBSA-N 285.303 3.563 30 20 CHED CC(C)C(CCc1ccccc1)=NOC[C@H]1CCOC1 788033152 FZFYVRRUBZOVLY-INIZCTEOSA-N 275.392 3.684 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1cc(F)cc(C#N)c1 1132445658 KFUWHAYIMLZSFO-NSHDSACASA-N 274.339 3.852 30 20 CHED C#CCCCCNCc1cccc(Cl)c1OCC 785487663 PDJDDCLFYILRDC-UHFFFAOYSA-N 265.784 3.632 30 20 CHED Cc1ccc([C@H]2CCCC2=NNCCc2ccccn2)cc1 789113888 YXCKKCQOSREARK-GOSISDBHSA-N 293.414 3.846 30 20 CHED COC(=O)[C@@H](C)c1cccc(N[C@H](C)CC(C)(C)C#N)c1 894903055 PHPZMHUVQGYLAR-OLZOCXBDSA-N 288.391 3.703 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2ccccc2)s1 780339423 RHGIKLUQEQLOPX-SNVBAGLBSA-N 261.375 3.599 30 20 CHED CC(CCC1CC1)=NNc1nnc(-c2ccccn2)s1 788029740 ZOUVMRFXQWPHOV-UHFFFAOYSA-N 287.392 3.578 30 20 CHED C=C[C@@H](CC(=O)N1CCC=C(Cl)C1)c1ccccc1 898196403 NACGFXWMOPSHHJ-ZDUSSCGKSA-N 275.779 3.701 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C(/C)C1CC1 791865013 OZEWLNMYWBGBCJ-PTNGSMBKSA-N 269.388 3.948 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)no1 791433840 UEBVILXEPMIBAH-QPJJXVBHSA-N 281.233 3.898 30 20 CHED C=CCCCC(=O)OCc1c(CC)cccc1OC 791915444 FVLSHLITINOCRC-UHFFFAOYSA-N 262.349 3.657 30 20 CHED C=CC[C@H](CC)NC(=O)C(F)(F)c1ccccc1OCC 798551526 UBNFQUWFIBAALH-LBPRGKRZSA-N 297.345 3.648 30 20 CHED COCC[C@@H]1CCCC1=NNc1cccc(Cl)c1 799864262 BMQQSUXVWMZDGV-NSHDSACASA-N 266.772 3.945 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 791064347 GFAAQKSLGXJFSQ-ROUUACIJSA-N 298.430 3.513 30 20 CHED Cc1cc([C@H](C)Nc2cccc(OCCCC#N)c2)n(C)n1 793549908 TTZSBGFPKHOUHJ-AWEZNQCLSA-N 298.390 3.584 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Sc2ccncc2)cc1 1306779137 FDRVOYGAORARMZ-LBPRGKRZSA-N 297.383 3.721 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](Nc2cc(C#N)cnn2)CC1 1186144703 QJZSKWDLAJIRIS-KBPBESRZSA-N 272.396 3.755 30 20 CHED CCOc1ccccc1COC(=O)CC#Cc1ccccc1 1319146236 OLINLWHJGBESNZ-UHFFFAOYSA-N 294.350 3.570 30 20 CHED CC1(C#N)CN(Cc2ccc(-c3cccs3)cc2)C1 1231428522 KEASVCGUTWXZNM-UHFFFAOYSA-N 268.385 3.761 30 20 CHED C[C@H]1CCCC[C@@H]1CN1CCc2ccc(C#N)cc21 1168926229 YWZJDLLJCLJMLJ-XJKSGUPXSA-N 254.377 3.747 30 20 CHED N#Cc1nnc2ccccc2c1N1CC[C@H]2CCCC[C@@H]2C1 1318660329 HIFWNHSNQNWYGM-ZIAGYGMSSA-N 292.386 3.518 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(SC)s1 578824641 SZBRYYAEMICZFP-UHFFFAOYSA-N 290.413 3.962 30 20 CHED Cc1ccc(N(C(=O)c2csc(C#N)c2)C(C)C)cc1 1325670087 HQNXWXJEOQWLQP-UHFFFAOYSA-N 284.384 3.983 30 20 CHED CC(=NNCC1CCOCC1)c1ccc(C(C)(C)C)cc1 1322944842 REOOVMKBGDMODI-UHFFFAOYSA-N 288.435 3.724 30 20 CHED CC(C)c1nc(C=NNc2cnc3ccccc3n2)cs1 1321451977 LIEVHCTZWRBKOY-UHFFFAOYSA-N 297.387 3.656 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC[C@H]2C2CC2)cc1F 1182358127 ZUYYXKHPBNLCLM-HOTGVXAUSA-N 272.367 3.613 30 20 CHED C=C(Cl)CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 747969631 RHJNEDMNEMZQIY-HOTGVXAUSA-N 279.811 3.839 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc(Cl)s1 695789736 WTMUBGQEXRWBRH-VIFPVBQESA-N 256.802 3.819 30 20 CHED C=CC[C@H](N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1)C(=O)O 1334776638 HSLJKFCENHBMPC-XBVQOTNRSA-N 287.403 3.578 30 20 CHED C[C@H](CC#N)N(C)c1ccnc(-c2cccc(Cl)c2)n1 1337354313 AIBBZXOKDOBUGZ-LLVKDONJSA-N 286.766 3.535 30 20 CHED N#Cc1ccsc1NC(=O)N1CC[C@H]2CCCC[C@H]2C1 1333713587 SYLSSXCIFLIXOT-YPMHNXCESA-N 289.404 3.664 30 20 CHED N#C[C@@H](NC(=O)c1cccc(F)c1Cl)C1CCCCC1 93938127 KQUUBXCFYFQCDJ-CYBMUJFWSA-N 294.757 3.681 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 1347618029 RFTZEJMFGYJHFW-LBPRGKRZSA-N 286.400 3.954 30 20 CHED Cc1cccc2c1CCCN2C(=O)c1ccc(C#N)cc1F 1265116097 TYCFONLTLKADBK-UHFFFAOYSA-N 294.329 3.599 30 20 CHED CCCC[C@H](C(=O)[C@H](C#N)c1cc(C)nc(C)n1)C(C)C 1263296942 XBDOWZJRAXTPIR-LSDHHAIUSA-N 287.407 3.732 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1F 1264859258 FIOIAMLAHKBUOB-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED C=C[C@H](CC)OC(=O)c1oc(C2CC2)nc1C(F)F 1347829052 TVZUXKQGCAXRSA-MRVPVSSYSA-N 271.263 3.611 30 20 CHED C/C=C(\C)C(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1348799227 PMWMOOZSMJXQHF-KVBBSTJLSA-N 263.362 3.848 30 20 CHED N#C[C@H](C(=O)C1(C2CCCCC2)CC1)c1cccc(F)n1 1344455958 KFWAOCRLBWXEPD-ZDUSSCGKSA-N 286.350 3.757 30 20 CHED CC(C)(C#N)CCSCc1cnc2ccccc2n1 1350499884 KRQOOIAKFVPQHT-UHFFFAOYSA-N 271.389 3.803 30 20 CHED Cc1cc(C)cc(CC(=O)Nc2cccc(C#N)c2C)c1 1435496888 ORMOZTLRIDJUIV-UHFFFAOYSA-N 278.355 3.665 30 20 CHED C=CCC[C@@H](C(=O)OCC1CSC1)c1ccccc1 1515780252 QUGLCTPKUSKSEC-OAHLLOKOSA-N 276.401 3.643 30 20 CHED Cn1cc(CCNc2cccc(F)c2C#N)c2ccccc21 1458488517 AQABVIIROXQPOI-UHFFFAOYSA-N 293.345 3.844 30 20 CHED C=C(CC)C(=O)N[C@H]1CCc2c(Br)cccc21 1527652407 SEVDTOAZQNZSGH-ZDUSSCGKSA-N 294.192 3.519 30 20 CHED N#Cc1nc(N2CCc3c(Cl)cccc32)ccc1Cl 1458255042 SRVNDTBRCHVYKV-UHFFFAOYSA-N 290.153 3.954 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCC2CCCCCC2)n1 1460428941 QQMJRIHSDGTRBA-UHFFFAOYSA-N 285.391 3.951 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CCC[C@H](C)[C@@H]1C 1535810123 MXHABKFRMLWIEM-RWMBFGLXSA-N 251.370 3.684 30 20 CHED N#Cc1c(CNc2ccccc2Cl)cccc1C(=O)O 1608190304 CWSDNKVZKVBYCC-UHFFFAOYSA-N 286.718 3.522 30 20 CHED COc1ccc(NC(=O)CCCC2CCCC2)cc1C#N 1544962147 LLCXJYBVVQTLRG-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C[C@@]1(c2ccccc2)CCCN(CC2(CC#N)CC2)C1 1473158190 TUFOWVPMMCVYRK-QGZVFWFLSA-N 268.404 3.734 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2scc(C)c2C#N)[C@H]1C 1624564719 YQWIJPJDMMOYQO-WDEREUQCSA-N 277.393 3.581 30 20 CHED N#Cc1cc(Cl)ccc1CN(CC(F)F)C1CCC1 1648339470 NLZXGCYXFDSFSO-UHFFFAOYSA-N 284.737 3.831 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1640760071 BKTMJZCQCNEZOF-DGCLKSJQSA-N 296.374 3.508 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)C1(C#N)CC(C)C1 1570339692 PFTPEFRXLZYPEV-GYMHETDLSA-N 276.424 3.649 30 20 CHED COc1ccc2c(c1)C[C@H](Nc1cccc(C#N)c1C)CC2 1657459006 RXJGNILSZVNSDV-QGZVFWFLSA-N 292.382 3.845 30 20 CHED C=C[C@@H](C(=O)O)N(C)c1ccc2c(c1)oc1ccccc12 1588664786 WBQJRDGTQXEXMM-AWEZNQCLSA-N 281.311 3.661 30 20 CHED C=CCOc1ccc(/C=C\c2ccc(C(=O)O)cn2)cc1 1588874587 BPVXCDBCGCOZKD-CLTKARDFSA-N 281.311 3.515 30 20 CHED CC(CCC(=O)O)=NNc1ccnc2cc(Cl)ccc12 1592470987 SQOGUBICIALJIX-UHFFFAOYSA-N 291.738 3.541 30 20 CHED C[C@@H](CCNC(=O)Nc1ccnc(C#N)c1)CC(C)(C)C 1673535816 IZUZRSRWATVWRF-LBPRGKRZSA-N 288.395 3.537 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2sccc2Cl)CC1 1776167715 XCVWGNLMYALFTL-UHFFFAOYSA-N 299.823 3.644 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@@H]1CCCC[C@@H]1C 1776013157 KNRVMAVXERIDHK-XHDPSFHLSA-N 274.364 3.999 30 20 CHED Cc1cc2c(s1)C/C(=C\c1cccc(CC(=O)O)c1)C2=O 1777428014 BJMZBGXDINHCDG-NTUHNPAUSA-N 298.363 3.506 30 20 CHED Cc1c(NN=C2[C@@H](F)CCC2(C)C)cccc1C(=O)O 1776089250 JCRMXLYQZSCTFG-NSHDSACASA-N 278.327 3.619 30 20 CHED C=C(CNC(=O)N1CC[C@H](CC)[C@H]1C)c1ccccc1 1681773711 AGIHMEHFEMEJNV-CABCVRRESA-N 272.392 3.530 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 150892671 SQMSLOYSQRPULU-LBPRGKRZSA-N 289.350 3.708 30 20 CHED C[C@@H](Nc1nc2c(cc1C#N)CCCC2)c1cccc(O)c1 161090940 FFJSDAVFHAPSFH-GFCCVEGCSA-N 293.370 3.711 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 161169391 UTWDBRGGBVXWOR-SJORKVTESA-N 265.356 3.636 30 20 CHED C=CCCNC(=O)CSc1cc(Cl)ccc1Cl 162239911 VCULLDYMMYOQDL-UHFFFAOYSA-N 290.215 3.778 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(F)c(Cl)c2)C1 160984091 PUHVJWCYYHGNID-ZUZCIYMTSA-N 294.757 3.681 30 20 CHED CSCCNc1c(C#N)cnc2ccc(Cl)cc12 151983813 OHTFOBOXHPVVQN-UHFFFAOYSA-N 277.780 3.535 30 20 CHED C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1cccc(C#N)c1 153731534 AFMGHVSIUAPBLU-IUODEOHRSA-N 272.392 3.555 30 20 CHED N#Cc1ccc([C@H](O)CN2CCCC3(CCCCC3)C2)cc1 156354239 NTOFCFZWZARSLS-GOSISDBHSA-N 298.430 3.638 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccccc2F)s1 156584238 IMJKHIBQUGHVNC-BQYQJAHWSA-N 257.289 3.655 30 20 CHED C=C[C@H](CC(=O)Nc1cc(C)ccn1)c1ccccc1 154452758 DCVIKFYVZRLVBV-CQSZACIVSA-N 266.344 3.688 30 20 CHED C[C@H](C#N)Oc1ccc(-c2nc3cc(F)ccc3n2C)cc1 154493215 ZVWMBYFQYCGALF-LLVKDONJSA-N 295.317 3.670 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)O)cc1F 109116421 MRQWJKYMDIPCIA-UHFFFAOYSA-N 281.327 3.823 30 20 CHED CCc1ccc(CNCc2ccc(C#N)cc2F)cc1 222939014 PLZSEBQWSFAEQZ-UHFFFAOYSA-N 268.335 3.550 30 20 CHED C=CCSCCN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21 230666534 UIIQESHAYKCRTO-OLZOCXBDSA-N 277.433 3.758 30 20 CHED N#Cc1cccc(OCc2cc([N+](=O)[O-])ccc2Cl)c1 36964947 FUTPBSQEDYMVEX-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1cccc(OCC#N)c1 37294487 UFLWEPOTZSGJLG-RDJZCZTQSA-N 272.392 3.647 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccccc1C(C)(C)C 167002881 QYIUZZBHFTVBGH-CYBMUJFWSA-N 272.392 3.606 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2C2CCCC2)cc1 44352433 MNXYSRQQTSGJAO-QGZVFWFLSA-N 254.377 3.713 30 20 CHED Cc1cc(F)ccc1CNc1cc(C#N)ccc1C 50577885 MQEQYZHWCIBWNO-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=C(CNCc1csc(CC)n1)c1ccccc1 299302496 AVHXOHLVFPSJIC-UHFFFAOYSA-N 258.390 3.509 30 20 CHED COc1cc(NCc2ccc(C#N)c(F)c2)ccc1Cl 193314654 FHNMQTVJPKYASV-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC1(C)CCN(Cc2ccc(Br)cc2C#N)C1 310422394 ZHJFQIGBIDUJRH-UHFFFAOYSA-N 293.208 3.553 30 20 CHED Cc1ccc(Nc2ncc(C#N)cc2Cl)cc1F 513640216 LEJJADSAJILPPN-UHFFFAOYSA-N 261.687 3.798 30 20 CHED C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 78835171 SYACIMXZENLADI-SNVBAGLBSA-N 283.297 3.598 30 20 CHED C#CCN(C(=O)c1ccc(F)c(Cl)c1)C1CCCCC1 688830510 FAISJTVXGWIRTI-UHFFFAOYSA-N 293.769 3.887 30 20 CHED C#CCN(C(=O)c1ccc(F)c(C)c1)C1CCCCC1 688821554 GMMAXHRHYWYXGG-UHFFFAOYSA-N 273.351 3.542 30 20 CHED CSCC1CCC(NCC(C)(C)CCC#N)CC1 385891745 ZJIBWWMYEBXTTM-UHFFFAOYSA-N 268.470 3.828 30 20 CHED Fc1ccc(Cl)cc1C=NNCc1ccccc1 753690579 NAPGVOJXDZXHAC-UHFFFAOYSA-N 262.715 3.603 30 20 CHED N#CCOC(=O)c1cc2sc3ccccc3c2s1 7143924 LJJXIUGJPNTLKU-UHFFFAOYSA-N 273.338 3.796 30 20 CHED N#Cc1ccc(OC(=O)c2c(F)cccc2Cl)cc1 7658222 HXHFWMBCPMMUBT-UHFFFAOYSA-N 275.666 3.570 30 20 CHED C=CCNc1nc(C(=O)O[C@H](C)c2ccccc2)cs1 15151233 RAQIEUBIQZYWQT-LLVKDONJSA-N 288.372 3.659 30 20 CHED CCOc1ccccc1CNc1ccc(C#N)cc1 19950713 LYRZTKXFPOPVHV-UHFFFAOYSA-N 252.317 3.569 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 29471004 HOBJHSJGJWLLSH-UHFFFAOYSA-N 287.265 3.522 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1ccc(C#N)cc1 35239357 DCJMUIJMMIDYJP-NSHDSACASA-N 265.291 3.742 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)c1cccc(Cl)c1 44385587 XUXSLBUQFRJSJV-LBPRGKRZSA-N 290.794 3.991 30 20 CHED Cc1cc(OC(C)C)ccc1Nc1ccc(C#N)cn1 48566473 BXCBZXOUUYJOFU-UHFFFAOYSA-N 267.332 3.793 30 20 CHED Cc1ccc(NC(=O)c2sccc2C#N)c(Cl)c1 52027856 GXQCWVOOCSGYCK-UHFFFAOYSA-N 276.748 3.834 30 20 CHED O=C1C(=Cc2ccc(Cl)c(F)c2)C(=O)c2ccccc21 67005782 CDUGJYHWRSSLNS-UHFFFAOYSA-N 286.689 3.942 30 20 CHED CCc1ccc([C@@H](C)C(=O)NCc2ccc(C#N)cc2)cc1 67970360 RKHCEEXCTJMQLX-CQSZACIVSA-N 292.382 3.541 30 20 CHED C=CCCN[C@@H](C)c1cccc(Br)c1 70591754 OOSCGSADYYPQRG-JTQLQIEISA-N 254.171 3.676 30 20 CHED CSc1ccccc1NCc1ccccc1C#N 70945086 LAUWJMCKYQCCFM-UHFFFAOYSA-N 254.358 3.892 30 20 CHED Cc1cccc(C)c1C(=O)N[C@H](C)c1cccc(C#N)c1 72542912 XWXBVCWLBOMDES-CQSZACIVSA-N 278.355 3.666 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2c(C)noc2C)cc1 78679866 HYYSVKFLJKZWCP-GFCCVEGCSA-N 286.375 3.707 30 20 CHED C[C@@H]1CC[C@H](Nc2c(C#N)nnc3ccccc23)[C@H](C)C1 85920574 APVAYDFDULLLOX-BZPMIXESSA-N 280.375 3.738 30 20 CHED CCCn1ccc2cc(NC(=O)N(C)[C@H](C)CC#N)ccc21 86292454 AALRGVJUTDSNIM-CYBMUJFWSA-N 298.390 3.817 30 20 CHED CC(=O)c1cc(Cl)ccc1OCCC(C)(C)C#N 87592221 GJGOWJNIEYFVCX-UHFFFAOYSA-N 265.740 3.861 30 20 CHED C=CCCN[C@@H](C)c1ccccc1Br 88162711 LTFXCKINZNAOME-JTQLQIEISA-N 254.171 3.676 30 20 CHED C=CCC[C@H](CC)NCCc1nc2c(F)cccc2n1C 89674288 LXXTVXBYNWUIRR-ZDUSSCGKSA-N 289.398 3.589 30 20 CHED C=C(C)COCCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 90451454 VHOCFGYEUMDVQX-IAGOWNOFSA-N 277.383 3.644 30 20 CHED CN(CCC#N)c1ccc(CN(C)C(C2CC2)C2CC2)cc1 92704078 AGGBELIELUTHEL-UHFFFAOYSA-N 297.446 3.657 30 20 CHED CCCCCCC[C@H](C)NC[C@@H]1CCN(C2CC2)C1 103028038 NQTULGVNJSFIGW-HOTGVXAUSA-N 266.473 3.809 30 20 CHED C=CCOc1ccc(CNCc2csc(CC)n2)cc1 107716127 DQLILCUUOIFEPR-UHFFFAOYSA-N 288.416 3.560 30 20 CHED CCCSCC(=O)Nc1ccccc1SCCC#N 108199522 NNRQAVUBFAMPNJ-UHFFFAOYSA-N 294.445 3.774 30 20 CHED Cc1ccc(CNc2c(F)cc(C#N)cc2F)s1 111143365 VCJZVJQSAPVEEE-UHFFFAOYSA-N 264.300 3.819 30 20 CHED Cc1c(C(=O)O[C@@H](C)CC#N)sc2ccc(F)cc12 113695270 BWDKTKVHAMKDFD-QMMMGPOBSA-N 277.320 3.808 30 20 CHED N#CCc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1 117581637 NDRZXYPKHUQUQZ-UHFFFAOYSA-N 294.285 3.890 30 20 CHED C#CCCCCC(=O)NC(C)(C)c1cccc(C)c1 120169417 MBDQVZKPSCZGCQ-UHFFFAOYSA-N 257.377 3.540 30 20 CHED N#Cc1ccsc1C(=O)N1CCC(c2ccccc2)CC1 128127530 CEOPQCFQLJWKIS-UHFFFAOYSA-N 296.395 3.640 30 20 CHED C[C@H]1CC[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)C1 128828297 UITDMWIGLUPISF-UONOGXRCSA-N 264.413 3.601 30 20 CHED O=C(/C=C/c1cncs1)c1ccc2cc(O)ccc2c1 130108973 DAUYMRKVCKAZCV-AATRIKPKSA-N 281.336 3.898 30 20 CHED C[C@@H](OC(=O)c1cc2ccccc2o1)C(C)(C)C#N 130878015 VAZNYAAWZKVWPP-SNVBAGLBSA-N 257.289 3.528 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2sccc2C#N)C1 130896365 QIQJPEMFTTUXMY-QWRGUYRKSA-N 262.378 3.775 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](C)SC)c1ccccc1 133982119 ZXTBSVONWIBPQU-GXTWGEPZSA-N 263.406 3.562 30 20 CHED C=CCCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 135077163 YCOQFSZYRFWEFC-NEPJUHHUSA-N 277.330 3.780 30 20 CHED C=C[C@H](Cc1nc(CC(C)C)no1)c1ccccc1 136392073 ALQDWRLFPFLCBJ-CYBMUJFWSA-N 256.349 3.780 30 20 CHED C#CCCCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 150731826 IBWWIJPJYBDACB-UHFFFAOYSA-N 298.342 3.748 30 20 CHED COc1ccc(C(=O)/C=C/c2cnc3ccc(C)cn23)cc1 151376500 HGLPLUWPCRAWEG-RMKNXTFCSA-N 292.338 3.547 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1OC(C)C 152815997 MODLVDVDQNQHOD-UHFFFAOYSA-N 286.375 3.805 30 20 CHED C/C=C(/C)C(=O)Nc1sc2c(c1C#N)CCCCC2 153091877 FZFPRWMYRMLZQB-KMKOMSMNSA-N 274.389 3.793 30 20 CHED C=CCCCCCN(C)C(=O)c1cc2ccccc2oc1=O 156860445 CENISEVCFSFBOC-UHFFFAOYSA-N 299.370 3.611 30 20 CHED Cc1ccc(CN(C)CC#Cc2ccc(F)cc2)s1 158198350 BCIUABCAMJHUQE-UHFFFAOYSA-N 273.376 3.679 30 20 CHED N#Cc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 159354889 DEWRXBHEUGPXTG-LGBHXNNWSA-N 298.361 3.805 30 20 CHED C#CCCCCN[C@H](C)c1cccc(Br)c1 159796118 FVVDZWLQBZNLLX-GFCCVEGCSA-N 280.209 3.903 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@@H](C)c2ccncc2)c1 160422015 AXTOXZZFQYSJCM-OAHLLOKOSA-N 292.382 3.610 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccn(-c3ccccc3)n2)cc1 160790810 ZVSWDJUMIUITMV-ZHACJKMWSA-N 299.333 3.640 30 20 CHED C=CCN(C)C(=O)C(C)(C)Cc1cccc(Cl)c1 161632782 NTKWHFLJQDEYNE-UHFFFAOYSA-N 265.784 3.553 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(CCc2ccccc2)n1 161884415 NVRWRQNRLVSEEL-CQSZACIVSA-N 299.443 3.662 30 20 CHED N#CCCCOC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 171770628 NFPPDHAAUQFFIP-IRXDYDNUSA-N 279.339 3.790 30 20 CHED CC(C)n1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)n1 172012964 PIJQXGDGLCEIFR-UHFFFAOYSA-N 294.402 3.500 30 20 CHED CCC[C@@H](C)CC(=O)N[C@@H](C#N)c1ccccc1Cl 172025401 ORYAAJDMEUANGH-RISCZKNCSA-N 278.783 3.847 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)NC1(C#N)CCCCC1 172168656 OMUVRIMMJMVCKA-AWEZNQCLSA-N 276.424 3.936 30 20 CHED C=C(C)CN1CCC(NC(=O)[C@@H](C)CCCCCC)CC1 173580102 GZPGIZMKRBILMK-INIZCTEOSA-N 294.483 3.750 30 20 CHED CSc1ccc(CNCC(C)(C)CCC#N)cc1 174302545 DNNDXFPKKAPBGR-UHFFFAOYSA-N 262.422 3.828 30 20 CHED C=CCCCC(=O)NCCc1nc2ccccc2n1C(C)C 175716860 CLNZWYMZKQJFMD-UHFFFAOYSA-N 299.418 3.632 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccccc1Cl 177864484 PGRPXSOXZBTBHP-SNVBAGLBSA-N 269.797 3.976 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F 178794048 OMQORRZHQAHCSP-HZPDHXFCSA-N 292.423 3.851 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](c1ccccc1)C1CC1 179687179 MFZQUFKICMGGNR-SFHVURJKSA-N 290.366 3.999 30 20 CHED C=C(C)CN(C)C(=O)C1(c2cccc(F)c2)CCCC1 180451942 CHIVTNHTKYEOKD-UHFFFAOYSA-N 275.367 3.672 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccccc1Oc1ccccc1 183851835 SSJLPVVNKKMPJH-AWEZNQCLSA-N 294.354 3.901 30 20 CHED N#CCC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 184836519 MUPZURQXZHQWJO-INIZCTEOSA-N 270.376 3.728 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2csc(-c3ccccc3)n2)C1 185799737 JYQVJVTVVJORQB-UKRRQHHQSA-N 297.427 3.982 30 20 CHED Cc1ccccc1C(C)(C)CN[C@@H]1CCC[C@H](C#N)C1 185806260 CMELGYGUAQKVCP-JKSUJKDBSA-N 270.420 3.945 30 20 CHED C[C@H](c1ccco1)N(C)Cc1ccc(Cl)cc1C#N 186803981 OEHBVRNTHSTFOX-LLVKDONJSA-N 274.751 3.998 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1O[C@@H](C)C#N 186943595 CSBNXFSKFZFIHI-OGHNNQOOSA-N 286.375 3.598 30 20 CHED C[C@@]1(c2ccccc2)CC[C@@H](N(CCC#N)CCC#N)C1 188218935 JXVFVSNHUSALNW-QZTJIDSGSA-N 281.403 3.626 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1cc(Cl)ccc1OC 189930822 OVYCXZHXMOSZDL-MRXNPFEDSA-N 295.810 3.909 30 20 CHED C=CCC1(C(=O)NCc2nc(C(C)(C)C)cs2)CCC1 191292646 XKQMLCMCBLRGOD-UHFFFAOYSA-N 292.448 3.803 30 20 CHED C=CCSCCN[C@@H](C)c1csc(Cl)c1 191352832 HCSONGRWOKMGHR-VIFPVBQESA-N 261.843 3.971 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C#N)s2)ccc1C 193144286 SSZZVSXHKMRKDI-FNORWQNLSA-N 283.352 3.833 30 20 CHED C=CCCCCCN[C@@H](COC)c1ccc(C)o1 193547825 SJJLYIWGYLAZPK-AWEZNQCLSA-N 251.370 3.612 30 20 CHED N#CCCCOC(=O)c1sccc1-c1ccccc1 194444629 NXPPLKFVKXARCO-UHFFFAOYSA-N 271.341 3.876 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)Cc2ccccc2F)n1 195607817 SICRYLNCXCDGLV-ZDUSSCGKSA-N 283.350 3.752 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@@H](O)c1ccccc1 220248572 KDUJQYVMMSBKIZ-WMLDXEAASA-N 277.408 3.585 30 20 CHED N#Cc1ccc(Cl)cc1OCc1cccc(C#N)c1F 223553576 GKOBSEXBQOIDLR-UHFFFAOYSA-N 286.693 3.801 30 20 CHED N#Cc1ccc(OC[C@H]2CCC3(CCCCC3)O2)cc1 228019397 BRKJORAVSWRMHE-MRXNPFEDSA-N 271.360 3.819 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2nccc(C#N)c2Cl)c1 235918727 XSJXYKPXVKVFHX-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=C[C@@H](C)NCc1ccc(OCCCC)c(OCC)c1 236639590 KMWSAWBMVAKVJR-CQSZACIVSA-N 277.408 3.928 30 20 CHED Cc1ccccc1C[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 248779232 HUXWFPWADLHSML-UXLLHSPISA-N 256.393 3.598 30 20 CHED COc1cccc(C=Nc2ccc(C)c(F)c2)c1O 252461212 LIAXUEYFJGDEDE-UHFFFAOYSA-N 259.280 3.599 30 20 CHED CON=Cc1cn(Cc2ccccc2)nc1-c1ccccc1 254700221 JQQMWQPRKDHRII-UHFFFAOYSA-N 291.354 3.579 30 20 CHED O=C1/C(=C\c2cccnc2Cl)COc2c(F)cccc21 255438219 JJURGNJPUUSOED-YFHOEESVSA-N 289.693 3.533 30 20 CHED CCOc1cccc(C=Nc2cccc(C(C)=O)c2)c1O 255548713 DLEHSIWCYBBDDY-UHFFFAOYSA-N 283.327 3.744 30 20 CHED Cc1ccc(NC(=S)NN=Cc2ccc(C)s2)cc1 257354752 ZPVJCEMQZZTYLA-UHFFFAOYSA-N 289.429 3.685 30 20 CHED C=CCCC(=O)N(CCC)[C@H](C)c1ccccc1OC 263695958 SORRPCFTRANJEL-CQSZACIVSA-N 275.392 3.961 30 20 CHED N#CCCCN[C@H](COc1ccccc1)c1ccccc1 271761054 ZNKQEIGETXVEAL-GOSISDBHSA-N 280.371 3.700 30 20 CHED CC(C)C[C@H]1C[C@@H](Nc2snc(Cl)c2C#N)CCO1 271915202 BRPIBAJBHMJBEL-UWVGGRQHSA-N 299.827 3.674 30 20 CHED COc1cc(C)c([C@@H](C)NCCCCC#N)cc1C 273136733 DBOQFIGYGJIDAY-CQSZACIVSA-N 260.381 3.657 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 274737549 MWXGGYVJZRPVGT-HOTGVXAUSA-N 284.403 3.974 30 20 CHED N#Cc1cc(Cl)ccc1CS[C@@H]1CCCOC1 274758511 QKFYILFOVSJACG-CYBMUJFWSA-N 267.781 3.624 30 20 CHED CSc1ccc(C)c(NCc2cc(C#N)n(C)c2)c1 276643317 RFTNKUNKPRDWGD-UHFFFAOYSA-N 271.389 3.539 30 20 CHED CC(C)(C#N)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 278291263 GDSOXOTTYVHWEA-ZDUSSCGKSA-N 270.376 3.713 30 20 CHED C=CCCC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 278351764 NHBCFKMRFDKQGU-UHFFFAOYSA-N 288.778 3.603 30 20 CHED CCC[C@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1F 279061180 SHYHDIHHSYUFEZ-AWEZNQCLSA-N 294.345 3.862 30 20 CHED Cc1cc(C(=O)/C=C/c2ccnn2C(C)C)oc1C 282239507 SMPLCBDZUXRDDS-AATRIKPKSA-N 258.321 3.570 30 20 CHED C[C@H]1[C@@H](C)Sc2ccccc2N1C(=O)CCCC#N 291263756 BYXFKJYURQHNEA-NWDGAFQWSA-N 274.389 3.596 30 20 CHED C#Cc1ccc(CN[C@@H](C)[C@H]2OCCc3sccc32)cc1 292743814 HROJWADSWKZWLM-SCLBCKFNSA-N 297.423 3.522 30 20 CHED C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1F 297980298 QNMNEJHTHIXDRF-YVEFUNNKSA-N 287.334 3.904 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2c2ccc(C#N)cn2)c1 301675025 PVXDWBGEFBJQRW-KRWDZBQOSA-N 277.371 3.912 30 20 CHED CCN(Cc1ccccc1Cl)c1ccc(C#N)nc1 302836604 WRXSKLIXXAVHQX-UHFFFAOYSA-N 271.751 3.633 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2CCCC(F)(F)C2)c1 313509596 FCQPWWBJBNPVAO-GFCCVEGCSA-N 278.302 3.517 30 20 CHED Cc1ncc(N=C(O)[C@@H]2CC=CCC2)c(C2CC2)n1 328795057 SWXNHBAVLYRDIV-GFCCVEGCSA-N 257.337 3.607 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)C1CCSCC1 329185569 AKXRYGQHDBJWFV-DGCLKSJQSA-N 298.452 3.620 30 20 CHED N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C2CCCC2)cc1 329571377 MPVSUABKPLUECU-DLBZAZTESA-N 282.387 3.766 30 20 CHED COc1cnccc1[C@H](C)/N=C(/O)C[C@@H]1C=CCCC1 329943695 DSAVNNAQOKLXIC-QWHCGFSZSA-N 274.364 3.854 30 20 CHED CC1(C)CCC[C@@H](/N=C(/O)c2cc(O)nc(C3CC3)c2)C1 329946785 GPJLJNNYPJOUBY-CYBMUJFWSA-N 288.391 3.938 30 20 CHED OC1=NCCC[C@H]1SC/C(O)=N/C1CCCCCC1 330195719 PJNIAGBVXBYFMH-GFCCVEGCSA-N 284.425 3.518 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC2(CCCCC2)C1 334840158 YVNKYGYRTNSHIW-UHFFFAOYSA-N 283.375 3.665 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(F)c(F)cc1F 336095872 VWLGFYSHARPBNO-VIFPVBQESA-N 284.281 3.676 30 20 CHED Cc1ccc2c(c1)CN(C(=O)Nc1cc(C#N)ccc1C)C2 336139064 ZJGJLOUFQIKTAH-UHFFFAOYSA-N 291.354 3.723 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1C 337912901 ZMBHLQNIMCENIK-BLLLJJGKSA-N 270.376 3.517 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCCC(C)(C)C1 337980314 RHILYEGSVBZWIZ-UHFFFAOYSA-N 270.376 3.519 30 20 CHED Cc1cc(F)ccc1CN(C)C(=O)c1cccc(C#N)c1C 338033065 WCCPMGDVJXMJBV-UHFFFAOYSA-N 296.345 3.586 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)Cc1cccc(F)c1)OCC 339434608 VKORQASYTQGBGC-INIZCTEOSA-N 293.382 3.546 30 20 CHED CC(C)CN(C(=O)CSCCC(C)(C)C#N)C(C)C 342010217 ZJEBQMRPCVVXPT-UHFFFAOYSA-N 284.469 3.552 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 342109398 WEFRPCQVRVVWSU-RISCZKNCSA-N 290.407 3.865 30 20 CHED C[C@H](C1CC1)N(Cc1ccc(CC#N)cc1)C1CC1 342667984 OMMBGHZDXJWGNS-CYBMUJFWSA-N 254.377 3.516 30 20 CHED Cc1ccnc(NCCc2c[nH]c3c(C)cccc23)c1C#N 343471115 DHYUPWMHZIBJHF-UHFFFAOYSA-N 290.370 3.706 30 20 CHED N#CC1(C(=O)Nc2ccc(Oc3cccnc3)cc2)CCC1 346199091 KXPPVRLQOVDVKX-UHFFFAOYSA-N 293.326 3.506 30 20 CHED C=CCCCCNCc1c(C2CC2)nc2sccn12 349628538 GNYGUQVYXAYSOI-UHFFFAOYSA-N 275.421 3.719 30 20 CHED Cc1ccc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)o1 350193960 QZXBEAFQTXUMNX-AWEZNQCLSA-N 293.326 3.878 30 20 CHED Cc1cnc([C@@H](C)SCc2ccc(F)cc2C#N)o1 356071372 NAWOXULPJICEAU-SNVBAGLBSA-N 276.336 3.988 30 20 CHED N#Cc1ccc(NCC2(c3ccccc3)CC2)cc1[N+](=O)[O-] 357328236 WZQTUYSCNZZERZ-UHFFFAOYSA-N 293.326 3.610 30 20 CHED C=CCC1(C(=O)N[C@H]2CCOc3c(CC)cccc32)CCC1 359529289 VJDPDOPKUWFCFT-INIZCTEOSA-N 299.414 3.935 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@@H]1CCCc2ccccc21 359760735 BHJOGDXYMPQTMO-MRXNPFEDSA-N 284.403 3.553 30 20 CHED C=CCc1ccccc1OCc1csc(COC)n1 360734345 YGDZJRROXQUSLA-UHFFFAOYSA-N 275.373 3.597 30 20 CHED Cc1nc(C)c([C@@H](C)NCc2ccc(C#N)c(F)c2)s1 361753344 IJLYZWMHNFECJT-SECBINFHSA-N 289.379 3.622 30 20 CHED Cc1ccc(CCC(=O)Nc2ccc(C#N)c(F)c2)s1 362296715 KFBDFXJUBVPVOH-UHFFFAOYSA-N 288.347 3.639 30 20 CHED CCCCCCCC(=O)N1CC[C@H](C2CCOCC2)C1 378286849 UEMLSJQBACJPCR-INIZCTEOSA-N 281.440 3.622 30 20 CHED N#Cc1cc(Cl)cc(OCc2cc(F)ccc2C#N)c1 383624919 HJUOXLDGGTVRIU-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C=CC[C@@H](CC)NC(=O)CSc1ccc(Cl)cc1 410127747 OHIYWGPVXMNHTL-GFCCVEGCSA-N 283.824 3.903 30 20 CHED Cc1cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)sn1 412163482 MCRQPVVTEQKOSP-UHFFFAOYSA-N 299.399 3.531 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)C(C)C 412840420 NHKIMHFSJISVND-HOCLYGCPSA-N 259.393 3.582 30 20 CHED CC(C)(C)c1ccccc1NC(=O)CSCCC#N 413011889 KBTBDVFDUIKSKI-UHFFFAOYSA-N 276.405 3.569 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1(CC)CCC1 413992017 WYXDCWCYAGKSOQ-MRXNPFEDSA-N 271.404 3.870 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC(CC)(c2ccccc2)C1 424892010 KKZWRTBIVSOOBZ-UHFFFAOYSA-N 271.404 3.779 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 425125012 FYDOWQQNPYIKRH-RBSFLKMASA-N 284.403 3.904 30 20 CHED N#Cc1c(F)cccc1CN1CCC[C@H]2CCCC[C@@H]21 428307996 XIZQRWWERIGCPF-DYVFJYSZSA-N 272.367 3.852 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H](c2ccccc2)C1 431467529 YRLBPGGCJRJMSK-QGZVFWFLSA-N 286.419 3.932 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 431941715 MRRBRRSJJHMAMC-PBHICJAKSA-N 286.419 3.713 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1cc(C(C)C)ncn1 432057273 LBMBVXDIYUQSHY-UHFFFAOYSA-N 294.402 3.888 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1 435747332 GZVGIXMEJNSRMD-RZDIXWSQSA-N 298.336 3.872 30 20 CHED C=C(C)CCc1noc(-c2ccc(CC)cc2O)n1 436883110 ZAEUZYHRBRCFRK-UHFFFAOYSA-N 258.321 3.513 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H]1C[C@H](c2ccccc2)C1 438437802 KASGMHDMHAJYMZ-ULQDDVLXSA-N 284.403 3.683 30 20 CHED N#Cc1ccc(NCc2cc3c(F)cccc3[nH]2)cc1 438846295 AOWQQKCZGQMRBA-UHFFFAOYSA-N 265.291 3.791 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(SC)cc1OC 439402789 IGPNPNUKSDYBGF-NSHDSACASA-N 294.420 3.893 30 20 CHED C=CCN(C(=O)NCC[C@H](C)CC(C)(C)C)C1CC1 443547485 HAPIFVJILPEZEE-ZDUSSCGKSA-N 266.429 3.809 30 20 CHED Cc1cc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)ccc1C#N 443996112 PIEWTMNWSZHXTA-SJORKVTESA-N 286.419 3.548 30 20 CHED N#Cc1ccc(N2CCCC3(CCCC3)C2)c(F)c1 445661172 BMFMHOBRVHBJDW-UHFFFAOYSA-N 258.340 3.858 30 20 CHED CCSCCCc1noc(/C=C/c2ccc(C#N)cc2)n1 445769504 VBLSKJOEKKYRIV-MDZDMXLPSA-N 299.399 3.797 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCO[C@@H](c2ccncc2)C1 449544080 VHMVPCNVGIBMEV-GVDBMIGSSA-N 274.408 3.636 30 20 CHED Cc1ccccc1CCN(C)Cc1ccc(CC#N)cc1 451167813 SZMZOIMVOLOREG-UHFFFAOYSA-N 278.399 3.736 30 20 CHED C[C@@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cc2ccccc2o1 452560532 DXKPYRZUQWHOBZ-IPYPFGDCSA-N 296.370 3.735 30 20 CHED C=CCCc1noc(-c2ccc(OC(C)C)c(OC)c2)n1 453251327 ZHYMXWJMYGVTQV-UHFFFAOYSA-N 288.347 3.651 30 20 CHED CCC[C@H](NC(=O)NCc1cccc(C#N)c1)C(C)(C)C 454307478 DBIQTROYGGOTKQ-HNNXBMFYSA-N 287.407 3.572 30 20 CHED C=CCC[C@@H](NC(=O)NC1CC(C)(F)C1)c1ccccc1 454695973 QDZYNQHPPRHPHD-ISXOHVOVSA-N 290.382 3.884 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C(=O)C2CCC2)cc1 455280767 WQHFSCPGAFPHAW-UHFFFAOYSA-N 286.375 3.757 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 455329399 SRZPTPMMGNBVGI-GDBMZVCRSA-N 272.392 3.745 30 20 CHED CC(C)N(Cc1ccco1)C(=O)Nc1cccc(CC#N)c1 455910783 DBYLVBSYCZGGOH-UHFFFAOYSA-N 297.358 3.788 30 20 CHED CC(C)CC1(C(=O)Nc2cccc(CC#N)c2)CC1 456760995 XJZGHRCPXMWBQE-UHFFFAOYSA-N 256.349 3.517 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)cc(C#N)c1 456964177 KYZHANFTMZHHEQ-UHFFFAOYSA-N 254.333 3.574 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccc(F)cc1)C(C)C 459005812 QWVSHEKCXLOCRR-UHFFFAOYSA-N 278.371 3.712 30 20 CHED C=C(CNC(=O)N(C)[C@@H](C)CCCC)c1ccccc1 461417360 KDEHEQDVDBWNJT-HNNXBMFYSA-N 274.408 3.920 30 20 CHED CC#CCCN(Cc1ccc(OCC)cc1)C(C)C 462324005 JODFXULMYJMSJV-UHFFFAOYSA-N 259.393 3.709 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 464442725 SVRVDDCOGQTYGM-XSLAGTTESA-N 287.447 3.997 30 20 CHED C=C[C@H](C)NC(=O)N(CCC)[C@@H]1CCc2ccccc21 464761401 NWCMZGDKDCXDPS-XJKSGUPXSA-N 272.392 3.670 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NCCC(F)(F)F)cc1 466451396 IJRYPOYFYDMDEZ-UHFFFAOYSA-N 299.296 3.562 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(-c2ccccc2)noc1CC 466542303 UZTWVDWLLIMEJF-CQSZACIVSA-N 298.386 3.989 30 20 CHED C=CCOCCCN(C)C/C(C)=C\c1ccccc1 470870715 BNXHHGVQFRKZFJ-PEZBUJJGSA-N 259.393 3.614 30 20 CHED C=CCC[C@H](O)CN(C)Cc1cc(Cl)cc(Cl)c1 472782674 CNENCDBBTOIKSE-AWEZNQCLSA-N 288.218 3.752 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)cc(C)c1 485601860 SWCIEVLSELXKLW-OAHLLOKOSA-N 258.365 3.876 30 20 CHED Cc1cc(CN[C@H](C)c2cccs2)ccc1C#N 488003325 RLXQHQFUJSLWQR-GFCCVEGCSA-N 256.374 3.779 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCOc1ccccc1F 488865080 KAFDSYNVHRDQPS-AWEZNQCLSA-N 291.366 3.552 30 20 CHED C=C(C)CN(CC)c1ccnc(-c2ccccc2)n1 498825570 HBPAQWWGJYDFKH-UHFFFAOYSA-N 253.349 3.546 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 500685249 HZXNINWONTXMGO-UHFFFAOYSA-N 284.746 3.878 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(F)ccc2C)c1 501157692 SSJPQTRUNWUWGI-UHFFFAOYSA-N 285.318 3.951 30 20 CHED N#Cc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)c(F)c1 502827966 GQWNBAFPGJGXHD-UHFFFAOYSA-N 273.217 3.519 30 20 CHED CC[C@H](CC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 505021120 PRVMSTQWSUPJMD-LSDHHAIUSA-N 272.392 3.578 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)CCCC(F)(F)F 507170810 QIALNASNARETFX-JTQLQIEISA-N 265.319 3.826 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(C#N)cc2)C1 509279219 MEZVJUQSINFKHG-IRXDYDNUSA-N 299.418 3.572 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H]1CC[C@@H](F)C1 512873138 WWTPUVBWZNTWEN-CABCVRRESA-N 282.403 3.655 30 20 CHED CCCOc1cccc(Nc2ccc([N+](=O)[O-])cc2C#N)c1 513140778 JTNJRJDVKFNVEJ-UHFFFAOYSA-N 297.314 3.999 30 20 CHED CCCN(c1ccc(C#N)cn1)[C@H](C)c1ccccc1OC 521149373 WTLQIJFORCQXLR-CQSZACIVSA-N 295.386 3.939 30 20 CHED CCC(C#N)(CC)c1nc(-c2cc(C)ccc2F)no1 528168947 PSYYCCWGKFNEFK-UHFFFAOYSA-N 273.311 3.766 30 20 CHED C=CC[C@@H]1CCCN(Cc2ncccc2Cl)C1 528545189 DGSVEZZAFSNIEJ-GFCCVEGCSA-N 250.773 3.523 30 20 CHED C[C@@H](CCC#N)N1CCC[C@@]2(CCc3ccccc3O2)C1 528729790 OAWPAHNHQKTRJO-MAUKXSAKSA-N 284.403 3.538 30 20 CHED O=C(NCCCF)Nc1cccc(C#Cc2ccccc2)c1 532652066 FGOSPMPMSNOTLO-UHFFFAOYSA-N 296.345 3.568 30 20 CHED CC(C)c1cnc(SCc2cccc(C#N)c2F)n1C 538146821 FRYCKPPNFNQPKE-UHFFFAOYSA-N 289.379 3.847 30 20 CHED CO[C@@H]1[C@@H](C)[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1(C)C 539393356 PJIRTOAEHROVQC-YMRXKLBXSA-N 295.386 3.578 30 20 CHED CC[C@H](CSC)N(C)CC#Cc1ccc(Cl)cc1 540198603 IFRSHKRWIOHXHO-OAHLLOKOSA-N 281.852 3.765 30 20 CHED C=C(CC)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 541703695 NKSSZHDLRWBUJB-IAGOWNOFSA-N 277.383 3.944 30 20 CHED CC(C)(C)[C@@H]1CCCN1Cc1ccc(CC#N)cc1 542278911 WOOWTAGSRNXQQJ-INIZCTEOSA-N 256.393 3.763 30 20 CHED C=CCCCCNC(=O)NCC[C@H](C)c1ccccc1 542702254 WMCQSDIBSZNYJQ-HNNXBMFYSA-N 274.408 3.836 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1c1nccc(C)c1C#N 543206455 ZBPOUFHZXWEKGT-ZFWWWQNUSA-N 257.381 3.667 30 20 CHED C=CCCCc1nc(C(F)(F)c2ccc(F)cc2)no1 544500468 DKRFRVAIILXZAU-UHFFFAOYSA-N 282.265 3.858 30 20 CHED CC1CC(C#N)(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)C1 546013901 BKJQJKKXNYIORS-GWUWNPHMSA-N 276.424 3.647 30 20 CHED CCC1(CNC(=O)c2ccc(C#N)s2)CCCCC1 546524400 ZXPJZOJRNDTUGM-UHFFFAOYSA-N 276.405 3.710 30 20 CHED C=CCCc1nc(Cc2ccc(Br)s2)no1 546999302 NCQCPNFULKJHTH-UHFFFAOYSA-N 299.193 3.603 30 20 CHED CC(C)(C)[C@H](CC1CCCCC1)NCCOCCC#N 549929603 IHIFRGCCRVIUQO-INIZCTEOSA-N 280.456 3.891 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(O)cccc1Cl 552435746 XVHMPZBGCVAMJF-UHFFFAOYSA-N 265.740 3.753 30 20 CHED Cc1cc(NC(=O)CCCCC(C)(C)C)n(CCC#N)n1 552874709 ZGLLRDDTGMYXNF-UHFFFAOYSA-N 290.411 3.650 30 20 CHED C=CCN(Cc1ccc(OC)cc1)CC1(SC)CCC1 555094829 KETNGSYLCKYVEM-UHFFFAOYSA-N 291.460 3.969 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)c(C)o1 556836065 WLZQBRXQZCPVCR-INIZCTEOSA-N 283.371 3.814 30 20 CHED CCc1c(Nc2nc(C)ccc2C#N)cnn1CCC(C)C 557684960 MUGHMTOTSXWJIW-UHFFFAOYSA-N 297.406 3.810 30 20 CHED CCCCCN(C)c1ccc(F)cc1CNC[C@H](C)C#N 558449430 APPTUUPKPOYGHS-CQSZACIVSA-N 291.414 3.701 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 564422455 BJKBHJHGXXLHJB-NKGKWGDASA-N 296.414 3.604 30 20 CHED N#Cc1ccc(CN(c2ccccc2)C2CCCC2)nc1 565634612 GEZFESVCKLVLFQ-UHFFFAOYSA-N 277.371 3.902 30 20 CHED C=CCCS[C@@H](C)C(=O)NCCC1=CCCCC1 569444571 JYFLRPHFRFYQIM-ZDUSSCGKSA-N 267.438 3.691 30 20 CHED Cc1nsc(Oc2ccc(F)cc2Cl)c1C#N 574189569 SFDDTWIVKGCXKO-UHFFFAOYSA-N 268.700 3.908 30 20 CHED C=CCCCS[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 577982590 YDDMRMXOJPKUGO-JTQLQIEISA-N 285.359 3.991 30 20 CHED N#CCc1cccc(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c1 581068338 XIZBCZDFKNDJJF-DOTOQJQBSA-N 297.402 3.843 30 20 CHED Cc1cc2ccc(C(=O)Nc3cc(C#N)ccc3C)cn2c1 588328563 XPMCKNIEZOUJLW-UHFFFAOYSA-N 289.338 3.680 30 20 CHED Cc1ccc(Cc2noc(CCCCCC#N)n2)s1 589156181 BQOVZNNJRRAKHY-UHFFFAOYSA-N 275.377 3.657 30 20 CHED Cc1ccncc1[C@H](C)NCCC1(C#N)CCCCC1 591026641 PSMAVJOZMKGALD-HNNXBMFYSA-N 271.408 3.905 30 20 CHED CCC(CC)[C@@H](NC(=O)[C@H](C#N)CC)c1ccccc1 593489417 UBYATOJTZDZQEM-GOEBONIOSA-N 272.392 3.830 30 20 CHED CC[C@H](C#N)C(=O)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 593606425 FOLGMLGARBKPOM-IAGOWNOFSA-N 298.430 3.751 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)[C@@H](C#N)CC)C2)cc1 593704581 OOCVAFSJMBSSOR-NVXWUHKLSA-N 284.403 3.505 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 593980899 CSTFWQLNPHSCCT-MAUKXSAKSA-N 298.430 3.774 30 20 CHED CCc1nc(S[C@H]2CC[C@H](C#N)C2)c2ccccc2n1 594464960 BXJCNIVIUSKBHO-RYUDHWBXSA-N 283.400 3.977 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cc2ccncc2s1 595045032 BDGWAKMZCKZVOE-LLVKDONJSA-N 271.389 3.641 30 20 CHED Cc1ccnc(CSCCc2ccc(C#N)cc2)c1 596356471 HQYIKTJGTMSHHP-UHFFFAOYSA-N 268.385 3.738 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 597034576 PQROXXCFWOSTPI-AOIWGVFYSA-N 298.430 3.700 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](C2CCCCC2)C1 598473145 VWURMQFNWKLBKS-HNNXBMFYSA-N 299.418 3.627 30 20 CHED CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1CC1CCCCC1 598588664 APYYTMDCNUSQKJ-IRXDYDNUSA-N 292.467 3.722 30 20 CHED Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1(C#N)CCC1 601017284 BBNWQDDVASFVDB-CQSZACIVSA-N 299.418 3.628 30 20 CHED N#C[C@H](Sc1ncnc2sc3c(c12)CCC3)C1CC1 601069059 KEJCXXZNGLUAHC-NSHDSACASA-N 287.413 3.574 30 20 CHED C=C[C@@H](CC(=O)N1CCC(SC)CC1)c1ccccc1 601693441 KXTQMALJQHXNIP-AWEZNQCLSA-N 289.444 3.700 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(F)c2ccccc12 602448029 QGHFPPMOIGOYAS-LBPRGKRZSA-N 256.324 3.570 30 20 CHED C[C@@H](CCC#N)CNC(C)(C)c1ccc(F)c(F)c1 602565550 SBMCVHBDDNEOEV-NSHDSACASA-N 266.335 3.729 30 20 CHED C[C@H](CCC#N)CNCC1(c2c(F)cccc2F)CCC1 602690804 PEFONSALWOFDAI-CYBMUJFWSA-N 292.373 3.916 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CCC[C@@H]1C1CC1 602692603 BMVSRXXTMVRHMD-HYVNUMGLSA-N 290.451 3.501 30 20 CHED COCCCCN(Cc1ccccc1)CC1(CC#N)CC1 602762912 GYCKENYGTUGDBT-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C=CCNC(=O)[C@H](C)N[C@@H](CC1CCCCC1)C(C)(C)C 604414405 PGIBVDOUZGBCRM-HOCLYGCPSA-N 294.483 3.652 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 606506544 KTKSQHVZAUGZEY-XIRDDKMYSA-N 286.419 3.662 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)c1cc2ccccc2n1CC#N 610294808 VUMQJEGKLATBHW-ZIAGYGMSSA-N 297.402 3.719 30 20 CHED C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 610359913 PRBHDYQYKDOHHS-OFQRWUPVSA-N 284.403 3.952 30 20 CHED CC(C)C(NC(=O)c1cc2ccccc2n1CC#N)C(C)C 610912062 PHPIJGNZVOJZKE-UHFFFAOYSA-N 297.402 3.575 30 20 CHED CC1(C)CN(C[C@@H](C#N)CCC#N)[C@H]1c1ccccc1 610989111 FJNKPGRYBOKIPA-ZBFHGGJFSA-N 267.376 3.513 30 20 CHED C[C@@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccncc1 611142015 KXWPMAJJMFCWRV-KSSFIOAISA-N 299.418 3.554 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc3ccccc3c2)C1 612158988 PVEMTGMHWWPNKC-SFHVURJKSA-N 264.372 3.965 30 20 CHED COC[C@H](Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 612876454 ZOJLUSOOFRDMNO-INIZCTEOSA-N 288.297 3.636 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCC3(CCC3)C2)n1 613429627 PGPBRZDKQYGLPZ-UHFFFAOYSA-N 269.392 3.631 30 20 CHED CCc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1 618735343 YKUMRMSVGDYROB-GOSISDBHSA-N 290.366 3.538 30 20 CHED CC(C)(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CCCC1 618786639 SXVIBTIOMCJYDD-QGZVFWFLSA-N 296.414 3.878 30 20 CHED Cc1nc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cs1 619755312 WRZCAWOKOXESMU-VIFPVBQESA-N 291.807 3.827 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnc2ccccc2c1 620856953 HIYCQDQPLCCEML-UHFFFAOYSA-N 268.360 3.709 30 20 CHED C=CC[C@@H]1N(C(=O)c2cnc(C3CC3)o2)CCCC1(C)C 640209386 GRMKTADCPJMNAH-AWEZNQCLSA-N 288.391 3.759 30 20 CHED C=CCCn1cc(CNCC(C)(C)C2CCCCC2)nn1 657421412 GTIGXQJAZJTESG-UHFFFAOYSA-N 290.455 3.550 30 20 CHED C=CCCNCc1cc(Cl)ccc1OC[C@H]1CCCO1 657582976 QITYZCYLCLTJBK-OAHLLOKOSA-N 295.810 3.564 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCCCN(C)C1CC1 658029812 AXKSAZRBAOJYQJ-NVXWUHKLSA-N 264.457 3.585 30 20 CHED C=CCCc1nc(-c2ccc(Br)cc2)no1 679926873 CLFONYBJECQCFK-UHFFFAOYSA-N 279.137 3.618 30 20 CHED C=CCC[C@H](C(=O)N1CC=CCC1)c1ccccc1 681669521 SDYCRGLJVPWSST-INIZCTEOSA-N 255.361 3.525 30 20 CHED C=CCC[C@H](C(=O)N1CC(C)(C)C1)c1ccccc1 684084679 YWIOVIWJZOONBT-HNNXBMFYSA-N 257.377 3.605 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccccc1Br 695862794 GSWLVZYYHIUAEX-NSHDSACASA-N 295.224 3.867 30 20 CHED CCOc1ccccc1C(C)=NNc1cccc(OC)c1 725854744 CWSRABCPCNSTAM-UHFFFAOYSA-N 284.359 3.930 30 20 CHED O=C1/C(=C/C2=Cc3ccccc3OC2)Cc2c(F)cccc21 726740736 PEZXSCORCJTZKY-NTEUORMPSA-N 292.309 3.967 30 20 CHED Clc1ccc(C=NNc2cnc3ccccc3n2)s1 727256190 LUDLZCSMKODAII-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=CCCOC(=O)C1(c2cccc(C)c2)CCCC1 729074419 ZZURPOVEALWXNR-UHFFFAOYSA-N 258.361 3.926 30 20 CHED Cc1ccc2c(Cl)c(C(=O)OCC#N)sc2c1 729728951 UTCUPQUROZXYLJ-UHFFFAOYSA-N 265.721 3.544 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2CCc3ccc(C)cc32)c1 730147038 JXWFTVZDMBFTNL-HPKGMJOESA-N 281.355 3.816 30 20 CHED Cc1ncc2c(n1)CCC[C@H]2Nc1ccc(C#N)c(Cl)c1 734833661 RGRIKPJHHOSOMT-MRXNPFEDSA-N 298.777 3.800 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2cnn(C(C)C)c2)c1 734981096 OANKPPVSHNPULY-FNORWQNLSA-N 272.323 3.808 30 20 CHED C=CCCCOC(=O)c1ccc(-n2cccc2)cc1 735531927 KNAYKKRIESZKOE-UHFFFAOYSA-N 255.317 3.600 30 20 CHED C=CCCCOC(=O)c1sc(C(C)(C)C)nc1C 735532107 JBKNGGHEMKCMBO-UHFFFAOYSA-N 267.394 3.872 30 20 CHED CC(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739596597 ZXDFMUFMYLOZJI-UHFFFAOYSA-N 284.384 3.559 30 20 CHED CCO[C@H]1CC(=NNc2ccc(F)cc2)C12CCC2 741160710 XXZWXLIOPKMKSG-AWEZNQCLSA-N 262.328 3.573 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)nn1 741468104 FHHYPVJDYDNXOF-VAWYXSNFSA-N 295.386 3.759 30 20 CHED CC(=NNc1ccccc1)c1c(Cl)nc2sccn12 741838526 WQJUCPZSFGTSCK-UHFFFAOYSA-N 290.779 3.885 30 20 CHED C=C(C)CCOC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 744302952 JHVSZDJAYWMDGU-GHMZBOCLSA-N 264.287 3.865 30 20 CHED CCC(Cc1ccccc1)=NNC(=S)Nc1ccccc1 745806755 WTOFYWJSKZEIQY-UHFFFAOYSA-N 297.427 3.982 30 20 CHED CCC(CC)[C@H](CC/N=C\c1cccc(OC)c1O)OC 746521504 IRGIRVTXIILKNW-BRYHAGSVSA-N 293.407 3.661 30 20 CHED Oc1cccc(C=NNc2cccc3ccccc23)c1O 747060115 IERSXTCZLOYPAV-UHFFFAOYSA-N 278.311 3.697 30 20 CHED C=CCNC(=S)N(C)C1c2ccccc2-c2ccccc21 748079728 FUTWHMJXBWIQNW-UHFFFAOYSA-N 294.423 3.749 30 20 CHED Fc1ccc2c(c1)C(=NNc1ncnc3sccc13)CC2 748780370 JXKGXIMUMLEDLG-UHFFFAOYSA-N 298.346 3.593 30 20 CHED CCCNN=C(C)[C@@H](C)c1nc2ccccc2s1 748784718 AQLUGQXSRPKZNY-SNVBAGLBSA-N 261.394 3.775 30 20 CHED CC(C)=C(C)C(=O)N[C@@H](CCC#N)c1ccccc1 749046606 ZEPDNQDRAUNFDY-HNNXBMFYSA-N 256.349 3.504 30 20 CHED CC[C@H](C)NC(=S)N(CC)[C@@H](C)c1ccc(C#N)cc1 749763983 BPTVYIVWTXCWCD-STQMWFEESA-N 289.448 3.614 30 20 CHED COc1ccc(NN=C2CCc3cc(F)ccc32)cc1 750946081 NCUPZFQYAKEQCP-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)c1cc(C#N)cs1 752592015 MAFXWDCXTDWNON-GFCCVEGCSA-N 285.368 3.798 30 20 CHED CSc1ccc(C=C2C(=O)c3ccccc3C2=O)s1 752876039 WGCVJRPQNLMAAD-UHFFFAOYSA-N 286.377 3.933 30 20 CHED Cc1ncccc1C=NNc1cc(C(F)(F)F)ccc1F 753947593 QHNPWXJNRNMRPY-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)ccn2)C12CCCC2 755906865 RZYUEECYTBZUCA-AWEZNQCLSA-N 273.380 3.527 30 20 CHED C[C@H]1C[C@H](NCc2ccc(C#N)cc2)c2c(O)ccc(F)c21 756419953 VDZAQHBZLDTBOA-NHYWBVRUSA-N 296.345 3.741 30 20 CHED CCOc1ccc(C=NOCCCOC(C)(C)C)cc1 756847544 FBIHVBKEHKTHIS-UHFFFAOYSA-N 279.380 3.641 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@@H]1C(C)C)c1ccccc1 757057593 JOLTVUVQIBIYNC-IAGOWNOFSA-N 284.403 3.581 30 20 CHED C#CC[C@H](NC(=O)N1CCC(CC)CC1)c1ccccc1 757061747 JEOVDFJVGFTGPA-KRWDZBQOSA-N 284.403 3.583 30 20 CHED COc1ccccc1/C=C1\Cc2c(OC)cccc2C1=O 759663615 GYWXZWFGWJGTOK-JLHYYAGUSA-N 280.323 3.526 30 20 CHED Cc1cc(OC(=O)c2ccc(CC#N)cc2)ccc1Cl 759745160 RHRKXHXFMGSDMS-UHFFFAOYSA-N 285.730 3.934 30 20 CHED COc1c(F)cc(F)cc1N[C@H](C#N)Cc1ccccc1 760224575 FKBOJTBINGKBNJ-ZDUSSCGKSA-N 288.297 3.520 30 20 CHED N#Cc1ccc(CNCc2cc(F)cc3cccnc23)cc1 760656771 LOMUYRWNNWOQBC-UHFFFAOYSA-N 291.329 3.535 30 20 CHED CC(C)CC1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 760732641 PCVMXUJRNJDMQK-UHFFFAOYSA-N 299.418 3.526 30 20 CHED COc1ccsc1/C=C\C(=O)c1cccc([N+](=O)[O-])c1 764433886 HTISCUXODWXLTQ-WAYWQWQTSA-N 289.312 3.561 30 20 CHED Cc1cc(OC(=O)c2cnc3ccsc3c2)ccc1C#N 765095500 WUMFCTIUBNXIAX-UHFFFAOYSA-N 294.335 3.696 30 20 CHED C#CCCCN[C@@H]1CCc2c(F)cc(Br)cc21 766220393 BIIJALNQASDUNN-CQSZACIVSA-N 296.183 3.579 30 20 CHED Cc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)ccc1C#N 766489423 DXZLPRRTXVVOOC-SOFGYWHQSA-N 293.370 3.849 30 20 CHED COC(=O)c1coc(C(=O)/C=C/C=C\c2ccccc2)c1 766503009 RVWFTFNZBSVSNP-VTBWALSUSA-N 282.295 3.519 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)CCC1CCCCC1 767152834 VVOLJRHOSFICSR-UHFFFAOYSA-N 289.341 3.761 30 20 CHED C[C@@H](C(=O)OCCCCC(C)(C)C#N)C(C)(C)C 768698009 ZOBHJBZRWCPRDC-LBPRGKRZSA-N 253.386 3.932 30 20 CHED CC(C)(C#N)CCCCOC(=O)C(C1CC1)C1CC1 768795894 SPZYCCRUKRDFIE-UHFFFAOYSA-N 263.381 3.686 30 20 CHED CC(=NOC[C@H]1CCCOC1)c1cc2ccccc2o1 769876723 GPULBTHNIZAKLM-ZDUSSCGKSA-N 273.332 3.600 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(Cl)cc1Br 769961194 PWSJNIFJICYROW-VIFPVBQESA-N 286.600 3.556 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccccc2F)ccc1F 770569520 ORVULWFSMYSLDO-SOFGYWHQSA-N 269.250 3.733 30 20 CHED C#CCCCCC(=O)Nc1ccc(-n2nc(C)cc2C)cc1 773208742 KYXIGHDYGKJDIM-UHFFFAOYSA-N 295.386 3.621 30 20 CHED C=CCOc1ccc(C(=O)N2CCc3cc(C)ccc32)cc1 773380624 YFXMWSZYLSJAKW-UHFFFAOYSA-N 293.366 3.763 30 20 CHED CCOCCON=C(C)c1ccc2cc(OC)ccc2c1 774418183 SJNSKXWYRQHIOL-UHFFFAOYSA-N 287.359 3.626 30 20 CHED C#CCCCN[C@H](CC(C)C)c1ccccc1OC 775546087 QKWFTLYUNDFASJ-MRXNPFEDSA-N 259.393 3.785 30 20 CHED Cc1ccccc1COC(=O)c1ccc(C#N)c(Cl)c1 777780653 KBRDGJMSEGCBOS-UHFFFAOYSA-N 285.730 3.877 30 20 CHED COC[C@@H](C)C(C)=NNc1cccc(C(F)(F)F)c1 777878566 HRDJXLCSNUGDLY-SECBINFHSA-N 274.286 3.776 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H]2CC[C@H](C)C2)cc1 783305815 AQPIBQRREZKDIE-DZKIICNBSA-N 257.377 3.538 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H](F)C(C)C 784024801 UINZAPRMBSVQMX-GFCCVEGCSA-N 299.729 3.510 30 20 CHED Cc1nc(Cl)sc1C(=O)OCCCC(C)(C)C#N 784082934 PLZVPULXIAFTSI-UHFFFAOYSA-N 286.784 3.592 30 20 CHED Cc1cc(C=NNc2nc3ccccc3s2)sn1 785451565 OZBBGMFAJMUKBF-UHFFFAOYSA-N 274.374 3.507 30 20 CHED CC(=NNCCC(C)(C)C)c1cnn(C(C)(C)C)c1C 787162767 OHNZPNIKQZALID-UHFFFAOYSA-N 278.444 3.696 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCCCCCSC 787312052 ICSLNYWDVGTBPX-AWEZNQCLSA-N 284.469 3.660 30 20 CHED Cc1ccc(CC(=NNCCc2ccncc2)C2CC2)cc1 789093108 ACEOWYRNRKMELY-UHFFFAOYSA-N 293.414 3.531 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(-c3ccccc3)o2)n(C)n1 789157368 ZICLEFNKBHERRE-NTMALXAHSA-N 292.338 3.885 30 20 CHED Cc1ccc2nc(/C=C\C(=O)c3cc(C)c(C)o3)cn2c1 789158762 GWBSGGFWKGSLDG-WAYWQWQTSA-N 280.327 3.749 30 20 CHED CC[C@H](C)NN=Cc1cnc(-c2cccs2)s1 790180797 ARASUVZWNQMZCK-VIFPVBQESA-N 265.407 3.594 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1ccccc1C 790305995 BVFWRITXRAPRIY-UHFFFAOYSA-N 287.294 3.878 30 20 CHED CCOc1ccc(OCCSCCCC#N)cc1 790551471 KCYKVQJBUDASMR-UHFFFAOYSA-N 265.378 3.501 30 20 CHED COc1ccccc1OC(=O)C[C@@H](CC#N)c1ccccc1 792869229 ZEDLOOQOKURIBV-OAHLLOKOSA-N 295.338 3.688 30 20 CHED COc1cc(F)cc(NN=C[C@@]2(C)CCCS2)c1 793025395 MVVJCDBSCCDQGJ-CYBMUJFWSA-N 268.357 3.518 30 20 CHED CC[C@H](C)CON=Cc1cn(C)nc1-c1cccs1 793147138 ZGDVQGIQEDUQAL-NSHDSACASA-N 277.393 3.545 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1cccc(Cl)n1 793163979 OQCDIXFAFXSGDK-SECBINFHSA-N 251.761 3.959 30 20 CHED Fc1cncnc1NN=Cc1ccccc1-c1ccccc1 793211683 ZAYBAAGAXLTUHK-UHFFFAOYSA-N 292.317 3.729 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@H](CC(=O)OC)[C@@H]1C 794514514 CQOUEXSRHNANMK-SOUVJXGZSA-N 296.455 3.900 30 20 CHED C[C@H]1CC(=NNc2cncnc2)C[C@H](c2ccccc2)C1 794976806 QLVTYWXLWKBBFC-UKRRQHHQSA-N 280.375 3.848 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNc1ncncc1Cl 797403373 KFSSQTPRRUKLGF-UWVGGRQHSA-N 266.776 3.744 30 20 CHED CCCCC[C@H](NC(=O)NCC1(C#N)CC1)c1ccccc1 797448155 MSPBPMSVJWOXMJ-INIZCTEOSA-N 299.418 3.911 30 20 CHED C#C[C@H](NC(=O)N[C@H](C)c1oc2ccccc2c1C)C(C)C 798514644 UDLXJGDMBLWXRB-HIFRSBDPSA-N 298.386 3.759 30 20 CHED CC(=NNc1cccc(C#N)c1)c1c(C)cc(C)cc1O 799874467 LXKJSOKPRHTENH-UHFFFAOYSA-N 279.343 3.717 30 20 CHED CCC(CC)NN=Cc1ccc(C)cc1-c1cnn(C)c1 802711363 SXEALURRYJKYHE-UHFFFAOYSA-N 284.407 3.508 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)OCC#N 803733621 OQQRWBPQJUMFLH-MFOWVQHXSA-N 263.381 3.686 30 20 CHED CN(c1nc(Cl)c(C#N)s1)[C@H]1CCC(C)(C)C1 804681168 DDEOLACQKZWMAI-QMMMGPOBSA-N 269.801 3.683 30 20 CHED C=CCCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1C 805218626 HSNUFTVMMQMEPS-UHFFFAOYSA-N 290.363 3.770 30 20 CHED C=CCCCCCCCCNC(=O)N[C@H]1CC[C@H](O)CC1 806081097 LMFHNMRLWLYYQC-WKILWMFISA-N 296.455 3.506 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1cn(C(C)C)nn1)C2=O 806573148 XBIBFILXJIZGFQ-ZROIWOOFSA-N 295.386 3.688 30 20 CHED CC(C)(O)c1ccc(C=NOCc2ccc(F)cc2)cc1 807983000 VAWMDUUDGARRJS-UHFFFAOYSA-N 287.334 3.604 30 20 CHED CCO[C@@H]1CC(=NNc2ccc([N+](=O)[O-])cc2C)C1(C)C 807992080 ZPKINUBHACKUPI-CQSZACIVSA-N 291.351 3.506 30 20 CHED C[C@@H](C=NNc1nccnc1C1CCC1)C(C)(C)C 807993411 CZKJGNGKPXWEFE-NSHDSACASA-N 260.385 3.824 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1c(F)cccc1Cl 809159492 QGNJXMPMQGWVOM-GQCTYLIASA-N 279.673 3.909 30 20 CHED Cc1ccc2sc(C(=O)O[C@@H](C#N)C(C)C)cc2c1 810563717 RBACIEWOGRJKOU-LBPRGKRZSA-N 273.357 3.915 30 20 CHED Fc1cccc(NN=Cc2ccc3[nH]ccc3c2)c1 811639617 DGXJBWZQVMNJCW-UHFFFAOYSA-N 253.280 3.753 30 20 CHED FC(F)(F)c1cnc2c(c1)C(=NOC1CCC1)CCC2 812236909 ZLGZSKQTCTWYOS-UHFFFAOYSA-N 284.281 3.710 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NOC1CCC1 812237003 FFCVDQLLRRYPGU-UHFFFAOYSA-N 254.333 3.558 30 20 CHED CC(=NOCCC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 814246609 UDUGLVNTQAQWPH-UHFFFAOYSA-N 282.727 3.789 30 20 CHED CSCc1cnc(C=NN[C@@H]2CCCCC2(C)C)s1 814918062 ZOQYXKBJCCSSRE-GFCCVEGCSA-N 297.493 3.898 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1CCc1ccccc1 815061236 NJDGIUWPFJPBCF-OAHLLOKOSA-N 293.357 3.822 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)Cc1ccc(C)cc1C 815538917 UPIZDNHFUFDWFS-CYBMUJFWSA-N 281.346 3.562 30 20 CHED CC(C)[C@H]1N(Cc2ccc(N(C)CCC#N)cc2)CC1(C)C 816624845 JKGOUGOYNCKPOS-GOSISDBHSA-N 299.462 3.903 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@H](CC)c1ccccc1OC 816693394 JXXMYWAMPNADGP-CYBMUJFWSA-N 297.345 3.816 30 20 CHED CCCCCCCCC(=O)N1CC[C@]2(CCCN(C)C2)C1 818177736 NTOJHAXWTFFWEU-SFHVURJKSA-N 294.483 3.681 30 20 CHED Clc1cc(NN=C[C@@H]2CCSC2)cc(Cl)n1 819829014 YIJYDYKWBJRQFF-ZETCQYMHSA-N 276.192 3.539 30 20 CHED CC1(C#N)CCC(Nc2cc3c(cc2Cl)OCO3)CC1 824065984 JRSMPBYKOOMNQN-UHFFFAOYSA-N 292.766 3.953 30 20 CHED COc1c(F)cc(NCCCC(C)(C)C#N)c(OC)c1F 834653924 GSQILGHLIYXXPN-UHFFFAOYSA-N 298.333 3.724 30 20 CHED CCCC(=NNc1ccc(Cl)nn1)C1CCCC1 834921006 QQOBJUWUZVHWJN-UHFFFAOYSA-N 266.776 3.888 30 20 CHED N#C[C@@H]1CCCC(=NNc2cc(Cl)ccc2[N+](=O)[O-])C1 835009342 QVTROGNMJSBCLQ-SECBINFHSA-N 292.726 3.730 30 20 CHED CCc1ccc(C=NOCc2ccccc2OC)cc1 836653478 NIAIBDUTTLHJGQ-UHFFFAOYSA-N 269.344 3.808 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)c1ccn(C)n1 838245700 BBMIBDYMESEJCT-AWEZNQCLSA-N 279.428 3.738 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H](C)c1cn(C)c2ccccc12 839042397 KZQPWTGUAZNILD-KGLIPLIRSA-N 283.371 3.627 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@]2(C)CC=CCC2)cc1 839193789 YFVRKRWQGFFPFT-YOEHRIQHSA-N 270.376 3.566 30 20 CHED C=C(C)CN(CC)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 839465630 YNZHOUDFVDRPBT-OAHLLOKOSA-N 296.455 3.532 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C)cc1SC 840498275 BBOILMLMQBSWSU-UHFFFAOYSA-N 271.332 3.867 30 20 CHED COCCON=C1CC[C@H](c2cccc(Cl)c2)C1 841627817 CZWUZIAKSUNZPE-LBPRGKRZSA-N 267.756 3.627 30 20 CHED C=C[C@@H](C)ON=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 844621240 FBCMGZLOIBXVHJ-VXGBXAGGSA-N 276.336 3.740 30 20 CHED C=C(C)CONC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 845607477 RHSNBMWJNIXRTD-JKSUJKDBSA-N 288.391 3.520 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](C)c1csc2ccccc12 845636202 MLYJGKMOZHSCAB-WDEREUQCSA-N 290.388 3.768 30 20 CHED C=C[C@@H](C)ONC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 846551348 UKBFVOVHXNYHTG-KGLIPLIRSA-N 291.391 3.508 30 20 CHED CCc1noc(CC)c1CNc1ccc(C#N)cc1C 846753321 MEZGWTAQMQSXRW-UHFFFAOYSA-N 269.348 3.592 30 20 CHED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccco1 850916833 MRWRFQAOIXCJIY-LBPRGKRZSA-N 261.321 3.748 30 20 CHED CCOc1ccccc1C(=O)O[C@H](C)CC(C)(C)C#N 851212266 HZJWXPFBSYTULY-GFCCVEGCSA-N 275.348 3.570 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CSc1ccc(F)cc1 851214601 STZSYBKHJLSQLF-NSHDSACASA-N 295.379 3.789 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccccc1Cl 851214709 VLNNYRUDGRTUAZ-JTQLQIEISA-N 265.740 3.825 30 20 CHED C=C[C@H](OC(=O)CCC(F)(F)F)c1ccccc1 851452705 VVCAXAGAXLTCNI-NSHDSACASA-N 258.239 3.799 30 20 CHED Cc1cccc(Cl)c1NN=Cc1c(C2CC2)cnn1C 853355159 IRZONFMNSVYOKK-UHFFFAOYSA-N 288.782 3.705 30 20 CHED C[C@H]1CCCCN1N=Cc1ccc(F)c2cccnc12 853378680 BAMQWAKMOIGQJF-LBPRGKRZSA-N 271.339 3.582 30 20 CHED Cc1ccc(F)cc1NN=C1[C@@H]2CCCO[C@@H]2C1(C)C 853394073 WTMQYZXULBTYFN-WFASDCNBSA-N 276.355 3.737 30 20 CHED C=CCOCCSC[C@@H](C)c1ccc(OC)cc1 853775620 XTGZODDXXWXYFJ-CYBMUJFWSA-N 266.406 3.735 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@]1(C)CC1(Cl)Cl 854112118 SAXOGMISCHYPOT-LBPRGKRZSA-N 293.238 3.614 30 20 CHED C=CCN(C(=O)N[C@@H](CC)Cc1ccc(F)cc1)C(C)C 854282825 WLZZSEORTGEKLN-INIZCTEOSA-N 292.398 3.753 30 20 CHED C=CCC1(NC(=O)CC[C@@H]2CC2(Cl)Cl)CCCC1 855928231 LPNFOQGKXLUOBQ-LLVKDONJSA-N 290.234 3.966 30 20 CHED CSc1cc(C(=O)O[C@H](C#N)C2CCCCC2)co1 869773580 WHUFUMYFCGHGFM-GFCCVEGCSA-N 279.361 3.631 30 20 CHED CCC[C@@H](CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 873969216 ZRWWCTZIEJHYSP-TZMCWYRMSA-N 258.365 3.562 30 20 CHED CCCCNc1nc2ccccc2n1C[C@@H](C#N)CCC#N 875933597 PXMUVUXQLMZTNN-CQSZACIVSA-N 295.390 3.692 30 20 CHED C[C@H](CCC#N)CNC1(Cc2ccccc2)CCC1 877085678 QODNBJVHNKOGIO-OAHLLOKOSA-N 256.393 3.681 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1-c1nncn1CC 888227458 MYNBIJVRPLJYBH-UHFFFAOYSA-N 298.390 3.506 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNCC1(C)CCCC1 901245950 JOTOAEYEWPEDIE-UHFFFAOYSA-N 276.428 3.585 30 20 CHED Cc1cc(CSCCCCC2(C#N)CCC2)nn1C 901774280 CESYPJWAKRLQAG-UHFFFAOYSA-N 277.437 3.826 30 20 CHED C=CCC[C@H](NCCC(C)(C)C(=O)O)c1ccccc1 902325080 JVCVDAJEQCAPSD-HNNXBMFYSA-N 275.392 3.784 30 20 CHED CC[C@H](Nc1cccc(CCO)c1)c1cccc(C#N)c1 903013714 HOFJFLBRZIXANG-SFHVURJKSA-N 280.371 3.656 30 20 CHED CN(C(=O)CCC1(C)CC1)c1cc(Cl)ccc1C#N 903796163 UENGKPMPQVVRHO-UHFFFAOYSA-N 276.767 3.755 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C 904181456 OQTIPOWYNOOHTR-CXAGYDPISA-N 272.392 3.543 30 20 CHED CCCOc1ccc(C/N=C/c2cc(OC)ccc2O)cc1 915983245 UWTWWEBCSIBMCA-CPNJWEJPSA-N 299.370 3.809 30 20 CHED C=CCOC(=O)CCSc1ccccc1Cl 916593857 HOILAEYODSPGHL-UHFFFAOYSA-N 256.754 3.551 30 20 CHED CCc1ccc(C=NNc2ncccc2Cl)cc1 917548986 FPSMFSKTFQLMHY-UHFFFAOYSA-N 259.740 3.743 30 20 CHED N#Cc1cccc(CNC(=O)NCC2CCCCCCC2)c1 918114571 KQKXLOPHHHHXRL-UHFFFAOYSA-N 299.418 3.718 30 20 CHED CC(C)COc1cccc(C/N=C\c2cccc(O)c2O)c1 920178782 VPEHUBHNMVSDOQ-ODLFYWEKSA-N 299.370 3.752 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@H]2CC=CCC2)c1 920990966 LXDWHCSXIZUZJR-IGWPVBGESA-N 259.349 3.566 30 20 CHED C=CCC1(O)CCN(C(=O)[C@H](CC)CC2CCCC2)CC1 924432151 GUYUKAWIPPBTAQ-MRXNPFEDSA-N 293.451 3.523 30 20 CHED CCC(CC)[C@H](CCN[C@@H](C)CC(C)(C)C#N)OC 925586264 LBNXGTSKWBXXPR-ZFWWWQNUSA-N 268.445 3.746 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)Cc1ccccn1 926591360 KDAVUBCBADCORM-QFBILLFUSA-N 280.415 3.790 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1[C@H](C)c1ccccc1 928384631 LLBKNOVYFQOBIV-AEFFLSMTSA-N 283.415 3.975 30 20 CHED CCc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1Cl 931392684 BBBFXSARDXHSSZ-NSHDSACASA-N 291.782 3.670 30 20 CHED C=C1CCN(C(=O)Nc2cc(OCC)ccc2Cl)CC1 931604473 GBTRIWLOZIIWPS-UHFFFAOYSA-N 294.782 3.923 30 20 CHED N#CC1(CCCCN[C@H](c2ccccn2)C2CC2)CCC1 932385399 IAZYOMNZXGJMRD-KRWDZBQOSA-N 283.419 3.986 30 20 CHED CC[C@H](C)n1ncc(NC(=O)c2cc(C#N)ccc2C)c1C 935622025 IORIYUYTTGWVHZ-LBPRGKRZSA-N 296.374 3.595 30 20 CHED CCc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1CC 1116574262 ZKHAVDZPYVHKNA-SFHVURJKSA-N 284.403 3.577 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1Cc2ccc(C)cc2S1 1118832749 JHOXPJWWFMMUHB-OAHLLOKOSA-N 289.444 3.873 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2OC(=O)c1ccc(C#N)[nH]1 1122717888 OYFQLJNNXHODIF-IAQYHMDHSA-N 280.327 3.600 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)c1ccccc1CC#N 1149734700 SPSBHJJLOHPBDZ-CQSZACIVSA-N 278.355 3.552 30 20 CHED C[C@@]1(CNc2ncc(C#N)cc2F)CCCc2ccccc21 1162972756 NDANVWOXGJADSF-SFHVURJKSA-N 295.361 3.798 30 20 CHED N#Cc1cccc(C2(NCc3cccc4ncccc34)CC2)c1 1170205269 IRAIRLOXTKZSKK-UHFFFAOYSA-N 299.377 3.885 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Nc1cccc(CC#N)c1 1205387352 HSXCHYONCFZVMR-CQSZACIVSA-N 293.370 3.978 30 20 CHED N#CC[C@H](OC(=O)CCCOc1ccccc1)c1ccco1 1263660647 LLBMIRMMJRIMPI-INIZCTEOSA-N 299.326 3.637 30 20 CHED CC(C)[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)s1 1288810683 ULHKROFRTOTJDQ-HNNXBMFYSA-N 298.411 3.617 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)c1cccc(C#N)n1 1306980498 XJFGVFOMNKIOOZ-KRWDZBQOSA-N 279.387 3.719 30 20 CHED C=C(CNC(=O)NC[C@@H]1CCCC[C@H]1C)c1ccccc1 1311789982 LGYISWHMTXISJV-PBHICJAKSA-N 286.419 3.825 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](C)CC1CCCCC1 1319804007 VJNFAVXJQPEZHM-ZDUSSCGKSA-N 266.381 3.671 30 20 CHED Cc1cccnc1CSCCOc1ccccc1C#N 1319856318 BTKAYUWYLUJAMG-UHFFFAOYSA-N 284.384 3.574 30 20 CHED N#Cc1ccc(CSCc2cn3ccccc3n2)cc1 1322422216 GIXSLICTOPYBKP-UHFFFAOYSA-N 279.368 3.639 30 20 CHED N#CCc1cccc(NCc2ccc3sccc3c2)n1 1324001186 OIGZPZSNKFRJMT-UHFFFAOYSA-N 279.368 3.974 30 20 CHED CCCCCCCN[C@@H]1CC[C@H](C)C[C@H]1n1cncn1 1324965337 OQGQQJPYOVJMKY-ARFHVFGLSA-N 278.444 3.568 30 20 CHED CC[C@H](C)CCc1nnc(-c2cccc(C#N)c2)o1 1329324164 PXXKOVZSLRPPLD-NSHDSACASA-N 255.321 3.587 30 20 CHED N#Cc1ccc(NN=C2CCCC23CCCCC3)nc1 1330909844 GAUZDCYHZKCQDX-UHFFFAOYSA-N 268.364 3.856 30 20 CHED C#CCCCOc1cccnc1N[C@H](C)c1ncccc1C 1337325383 OONIRQBIUPZOAU-OAHLLOKOSA-N 295.386 3.750 30 20 CHED N#CCOc1ccc(NC/C=C/c2ccccc2)cc1 1339109582 HQTOCQFWHITFKT-QPJJXVBHSA-N 264.328 3.714 30 20 CHED C=CCC[C@H](C(=O)NOC(C)(C)C)c1ccccc1 1343109356 GITFMYJQKVDDAW-AWEZNQCLSA-N 261.365 3.583 30 20 CHED CCCCCC[C@](C)(CC)C(=O)[C@@H](C#N)c1nccn1C 1343854231 WXJKOGBMCAUFNB-PBHICJAKSA-N 289.423 3.983 30 20 CHED N#Cc1ccccc1OCc1nnc(C2CCCCC2)o1 1345678196 BVIIGIBFUHJKEO-UHFFFAOYSA-N 283.331 3.568 30 20 CHED C[C@H](NC(=O)CC1(C#N)CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 1352334805 VPMDSKQJTIOZAM-VGWMRTNUSA-N 288.435 3.791 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C1(Cc2ccccc2)CC1 1355121798 PPCRSWZCRPHMJQ-KRWDZBQOSA-N 283.415 3.967 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)CCc2ccc(C#N)cc2)[C@@H]1C 1435779444 RBOLJTXDSLYNFD-CKEIUWERSA-N 285.387 3.859 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@]1(C)CCCC[C@H]1C 1436607722 PDVCOWPKISLPOK-SJKOYZFVSA-N 270.376 3.565 30 20 CHED COC(=O)[C@H](Sc1ccc(C#N)c(C)c1)C(C)(C)C 1459143789 VFSIVOISDLAYBN-ZDUSSCGKSA-N 277.389 3.547 30 20 CHED CCc1cccc(N(C)C(=O)c2ccc(C)c(C#N)c2)c1 1460721476 WDOWXIWDTPHBBY-UHFFFAOYSA-N 278.355 3.706 30 20 CHED CN(CCC#N)C(=O)c1sc2cccc(F)c2c1Cl 1464496858 AHLCYTYWXJBVMG-UHFFFAOYSA-N 296.754 3.679 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@]1(C)CCCC[C@@H]1C 1528074805 SKAMHTJSVVRSHE-SUMWQHHRSA-N 270.376 3.565 30 20 CHED Cc1nsc(C)c1C(=O)Nc1ccc(Cl)cc1C#N 1538948228 YKUFOIUUMZXDJS-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)CC1 1556346207 MSZHXRCBJURKNU-MQMHXKEQSA-N 297.402 3.897 30 20 CHED Cc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)oc1C(=O)O 1610446409 PJHSCMJJZGNDKS-RYUDHWBXSA-N 298.342 3.570 30 20 CHED Cc1cc(C)c(/C=C/CNc2n[nH]c(C)c2C#N)c(C)c1 1620962203 SYQPZIYXCUNISR-AATRIKPKSA-N 280.375 3.640 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(CNc2ccccc2)cc1 1638409612 OLZJHOQZGPGBGL-HNNXBMFYSA-N 293.370 3.787 30 20 CHED N#Cc1ccc(CCOc2cccc(C(F)(F)F)n2)cc1 1643781416 YSWBTYNZHHRPMI-UHFFFAOYSA-N 292.260 3.594 30 20 CHED CC(C)CC[C@H]1CCCN1CCOc1cccc(C#N)c1 1657782187 AKDOKBSSTQVBDT-QGZVFWFLSA-N 286.419 3.838 30 20 CHED C[C@H]1CCCN(Cc2cccc(C#N)n2)c2ccccc21 1659342875 MOXNNODDZPCMTQ-AWEZNQCLSA-N 277.371 3.857 30 20 CHED C=CCC1(C(=O)O)CCN(CC2CC(C(C)(C)C)C2)CC1 1776158645 NFZCSXVWBUDHQV-UHFFFAOYSA-N 293.451 3.802 30 20 CHED Cc1cc(C#N)nc(-c2cc(Cl)ccc2Cl)n1 1898208437 ZIVGLESOQCGJCK-UHFFFAOYSA-N 264.115 3.631 30 20 CHED CC(=O)c1cc(Cl)ccc1OCc1cccc(C#N)c1 7427423 UFGZPBNQCLOLAD-UHFFFAOYSA-N 285.730 3.993 30 20 CHED Cc1ccc(C)c(C(=O)OCc2cccc(C#N)c2)c1 7438936 HKTNBRUTJNZHTJ-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CCCc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1 11155780 PGXWNVIPUDMTOX-UHFFFAOYSA-N 293.370 3.561 30 20 CHED C=CCc1ccc(OC(=O)c2ccc(C#N)cc2)c(OC)c1 14423042 MPEZMUAJXKPNRO-UHFFFAOYSA-N 293.322 3.515 30 20 CHED C[C@@H](NC1CC(C)(C)NC(C)(C)C1)c1ccc(C#N)cc1 20143232 GVCYYKZEIFXYST-CYBMUJFWSA-N 285.435 3.518 30 20 CHED Cc1ccc(CN(C)Cc2cc(C#N)ccc2F)cc1 20264504 QFVMJTITGQRFNY-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CC(C)CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 37131449 LLRLYSPQARZIBU-LLVKDONJSA-N 261.325 3.703 30 20 CHED CCc1cccc(OCCCOc2ccc(C#N)cc2)c1 37138480 USRVPTAXSWJJHK-UHFFFAOYSA-N 281.355 3.969 30 20 CHED C[C@H](CCNCc1ccc(C#N)cc1)c1ccccc1 43534039 ZVSQTNIWWVPQEL-OAHLLOKOSA-N 264.372 3.842 30 20 CHED CCCN(CC#N)Cc1ccc(Cl)c(Cl)c1 45092640 WSHLRQQFDVSCOE-UHFFFAOYSA-N 257.164 3.729 30 20 CHED N#Cc1ccc(Sc2cnc3ccccc3n2)cc1 48837461 JHBDDEUYGYVXCF-UHFFFAOYSA-N 263.325 3.653 30 20 CHED CN(CCCC#N)Cc1cccc(Cl)c1Cl 52922700 YDDDNARCAWZAET-UHFFFAOYSA-N 257.164 3.729 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(C(F)(F)F)c1 57157910 MGRVCZOOUPXUJI-UHFFFAOYSA-N 271.282 3.744 30 20 CHED CCCCCCCCOCC(=O)Nc1ccc(F)c(N)c1 59083125 ROBCYWOMMWHPAA-UHFFFAOYSA-N 296.386 3.724 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(F)c(F)c(F)c1 63006826 FMBCOROQMDLBNL-UHFFFAOYSA-N 290.244 3.536 30 20 CHED N#Cc1ccc(CNCc2coc(-c3cccs3)n2)cc1 64411919 FVNDTXDCEMTSQW-UHFFFAOYSA-N 295.367 3.565 30 20 CHED CCCCC1CCC(CNC(=O)C(C)(C)C#N)CC1 65675832 XRGWAKAPXARHSR-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccc(Cl)cc1Cl 66301041 OOXAMMGJCYTRHT-HNNXBMFYSA-N 283.607 3.995 30 20 CHED CCC(C)(C)CC(=O)N[C@@](C)(C#N)C1CCCCC1 73095198 XBNSKVVAZIGCSD-INIZCTEOSA-N 264.413 3.791 30 20 CHED N#CCSCCCN(Cc1ccccc1)CC1CCC1 74989111 PBMMAMRWFLYXRB-UHFFFAOYSA-N 288.460 3.936 30 20 CHED N#Cc1ccc(Cl)cc1NCC1(CCO)CCCC1 75064054 DVCKINYCHXZYBG-UHFFFAOYSA-N 278.783 3.566 30 20 CHED C#Cc1cccc(N(C(=O)c2cccc(F)c2)C(C)C)c1 77293892 FTSQDWBNVZPXEN-UHFFFAOYSA-N 281.330 3.862 30 20 CHED CC[C@H](Nc1ncccc1C#N)c1ccc(F)cc1F 77987013 SZIZLQJAUGDHDC-AWEZNQCLSA-N 273.286 3.795 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)o1 78998389 AGNVEGMGYVJEPW-QMTHXVAHSA-N 297.314 3.795 30 20 CHED C=CCOc1ccc(C(=O)N(C)c2ccccc2OC)cc1 79067998 ZZLAPXRPTZEDSU-UHFFFAOYSA-N 297.354 3.537 30 20 CHED CC(C)[C@@H](C)SCCC(=O)Nc1cccc(C#N)c1 79082369 LTVSNEQGJIPVAJ-GFCCVEGCSA-N 276.405 3.665 30 20 CHED CCc1cccc(CC)c1NC(=O)c1cc(C#N)cs1 84059823 KYCXDCSFVVAGSZ-UHFFFAOYSA-N 284.384 3.997 30 20 CHED CCN(C(=O)c1cncc(C)c1)c1ccc(C#N)c(Cl)c1 91207112 OYXIDKVUDOIMJC-UHFFFAOYSA-N 299.761 3.582 30 20 CHED COc1cc(F)cc(CNc2c(F)cc(C#N)cc2F)c1 91685587 SWTSDFASMSCLEK-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CCCCCCCCCCN1CC[C@@](C)(C(=O)O)C1 103866489 GUYJKVUXHGSTCE-MRXNPFEDSA-N 269.429 3.924 30 20 CHED CC[C@H](C#N)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 110678883 ZGFXFPBYVVOQCM-IEBDPFPHSA-N 297.185 3.515 30 20 CHED Cc1cccc(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 113177498 WCEZGFMLRHHCEY-INIZCTEOSA-N 298.773 3.572 30 20 CHED C#CCCOc1ccc(CNCc2cccc(F)c2)cc1 113318275 NYRDIELGOLFBDC-UHFFFAOYSA-N 283.346 3.518 30 20 CHED CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)CSCC#N 115288572 RPOOCHGLMCZDTI-CQSZACIVSA-N 296.480 3.744 30 20 CHED COCc1ccc(/C=C/C(=O)c2occc2C)cc1 119023296 PMFAKXBFZOYGRB-BQYQJAHWSA-N 256.301 3.631 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(C)ccc1OC(F)F 119322695 BGPULHUDDREFHY-QWRGUYRKSA-N 255.308 3.822 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C#N)CCC#N 121001545 IKTZIIUKQHRITR-GFCCVEGCSA-N 296.201 3.869 30 20 CHED C=C[C@@H](CC(=O)N1CCc2ccccc2C1)c1ccccc1 121385637 GSAGCILSAAQLLQ-INIZCTEOSA-N 291.394 3.931 30 20 CHED CC[C@@H](C#N)Nc1ccccc1SC[C@H](C)C#N 122237107 WPNSHCSPQKRUID-NEPJUHHUSA-N 259.378 3.652 30 20 CHED COc1ccc2ccccc2c1CNc1cccc(C#N)n1 122602279 VQAPAQDTTGTDNF-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc(C#N)c1 123517115 ZYBAQXDLYBDBPD-IUODEOHRSA-N 271.364 3.601 30 20 CHED C=CCN(C/C(Cl)=C\Cl)Cc1cccc(C#N)c1 124466425 YMXNAUUWPPRMFX-RIYZIHGNSA-N 281.186 3.865 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N1CCC(C#N)CC1 124841010 MCHNPCVNCNQJFV-BENRWUELSA-N 288.778 3.505 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C1CCC(C)CC1)C1CC1 125239040 JAYMNEZMLHFKCQ-SLTAFYQDSA-N 279.424 3.537 30 20 CHED C=CCOc1ccc(CN(CC)CCC#N)cc1Cl 127587997 PTFRRLLVAPORRH-UHFFFAOYSA-N 278.783 3.640 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc(-c2ccoc2)c1 127974395 XBCDDZXSUOTWTC-GFCCVEGCSA-N 255.317 3.641 30 20 CHED CC(C)OC1CCC(Nc2ncc(C#N)cc2Cl)CC1 130069686 NZNCDLPIFQHGHC-UHFFFAOYSA-N 293.798 3.755 30 20 CHED CCCCCCCCCC(=O)NC1(C)CCOCC1 130337323 MQIPUUOUDNESOP-UHFFFAOYSA-N 269.429 3.812 30 20 CHED CCN(CCC#N)C(=O)[C@H](c1cccc(Cl)c1)C(C)C 133379249 XNNBWNBPZXNLBH-HNNXBMFYSA-N 292.810 3.842 30 20 CHED CCC(CC)CC(=O)N[C@H](CCC#N)c1ccccc1 153584129 VTXFDTGJCGOGCP-MRXNPFEDSA-N 272.392 3.974 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 153849667 NRMVNOMVLDLWNH-SNVBAGLBSA-N 286.297 3.594 30 20 CHED N#CCC[C@@H](C#N)COc1ccc([N+](=O)[O-])c2ccccc12 153998372 VEIGWTFGEWZION-LBPRGKRZSA-N 295.298 3.570 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 156886142 ZPLWMELAUSQTNU-HNNXBMFYSA-N 285.391 3.843 30 20 CHED CC[C@@H](CC(=O)N(C)[C@H](C)CC#N)c1ccc(C)cc1 158883401 FSCJHXPCJALOCQ-CABCVRRESA-N 272.392 3.639 30 20 CHED CCC(C#N)(CC)C(=O)N1CC=C(C(C)(C)C)CC1 162479562 RBIOUWXISAEALM-UHFFFAOYSA-N 262.397 3.521 30 20 CHED C=C(C)COCCN[C@H](C)CC(C)(C)c1ccccc1 164645508 XCXUHJIKJSVBPB-MRXNPFEDSA-N 275.436 3.925 30 20 CHED C[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccc(OCC#N)cc1 164665454 MZBRYRUAWYTMEL-UKRRQHHQSA-N 272.392 3.818 30 20 CHED C[C@@H]1CCCCN1c1ccc(C#N)cc1Br 168545914 NXPWTSHPBUVHRH-SNVBAGLBSA-N 279.181 3.700 30 20 CHED CC(C)c1ccccc1NC(=O)NCCCCC#N 170903179 URBRNXDRPCXHAY-UHFFFAOYSA-N 259.353 3.625 30 20 CHED CN(CCc1ccc(Cl)cc1)C(=O)c1cccc(C#N)c1 172008113 DEKGAICQSDRHFI-UHFFFAOYSA-N 298.773 3.526 30 20 CHED C=CCOc1ccc(OCc2cnc(C)s2)cc1 174234827 ITVNVZUFQZBDSA-UHFFFAOYSA-N 261.346 3.595 30 20 CHED C[C@@H](CNCC(C)(C)CCC#N)COCc1ccccc1 174299859 CWJHZQMSFYKMOR-INIZCTEOSA-N 288.435 3.759 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](CN2CCCCC2)C1 174540222 YRYABIQBUBQNNL-KRWDZBQOSA-N 294.483 3.681 30 20 CHED CCCCCCCC(=O)NC[C@](C)(O)c1cc(C)oc1C 174648408 DXGWNRNWCHMYLT-KRWDZBQOSA-N 295.423 3.581 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 174717868 UUFVTIBCJBTBGH-GFCCVEGCSA-N 295.427 3.905 30 20 CHED C[C@@H](CC(=O)OCC1(CC#N)CC1)c1ccccc1F 174747635 KRAGUCUMUQBYTF-LBPRGKRZSA-N 275.323 3.556 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)OCC1(CC#N)CC1 174751039 BHTQGAKKXJQYSR-MRXNPFEDSA-N 285.387 3.738 30 20 CHED C=CCCCC(=O)Oc1ccc(NC(=O)c2ccco2)cc1 176536196 HIXUTDXLTCMDKP-UHFFFAOYSA-N 299.326 3.794 30 20 CHED N#Cc1cc(F)ccc1NC(=O)/C=C/C1CCCCC1 177565116 HZCDRVPDOARDTP-RMKNXTFCSA-N 272.323 3.772 30 20 CHED CC(C)C[C@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 178829999 BTJPUAJKBRQRPX-LBPRGKRZSA-N 290.411 3.671 30 20 CHED C#CCCCCC(=O)NCc1ccc2cc(OC)ccc2c1 179672956 BQOWARGMAQUUPG-UHFFFAOYSA-N 295.382 3.658 30 20 CHED CC(C)(C)[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(F)cc1 181231689 LTKOVWIUOSGXNV-OAHLLOKOSA-N 299.349 3.543 30 20 CHED Cc1cccc([C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C)c1 181329881 ZDUZKGGHKUGZAO-MRXNPFEDSA-N 295.386 3.712 30 20 CHED C#CCCCNCc1ccc(Cl)c(Br)c1 182491854 CSABRNHVONXANA-UHFFFAOYSA-N 286.600 3.606 30 20 CHED C=C(C)CN(C)C(=O)c1cccnc1Nc1ccccc1F 183050982 XSYYPJOVXBQJAS-UHFFFAOYSA-N 299.349 3.612 30 20 CHED N#CCC(=O)Nc1ccc(CCCc2ccccc2)cc1 184868460 UXPKASFWHXKWIS-UHFFFAOYSA-N 278.355 3.714 30 20 CHED CCN(CC)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 185786323 TUFUFLGDXPYIDJ-SJORKVTESA-N 285.435 3.705 30 20 CHED Cc1oc2ccc(NC(=O)N3CCC(C#N)CC3)cc2c1C 186481952 LDPDKBCDCRDGFX-UHFFFAOYSA-N 297.358 3.817 30 20 CHED C=CCSCCNC(=O)c1coc2cc(C)c(C)cc12 186711946 WNSVBIPFOWVCIQ-UHFFFAOYSA-N 289.400 3.699 30 20 CHED CCN(C(=O)/C=C/c1ccc[nH]1)[C@@H](C)c1ccc(C#N)cc1 187448817 QKYMMBXMKUIMKS-VNDWYCCKSA-N 293.370 3.509 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(Br)cc1C 188017655 FKDGLPGFYHHZTA-ZDUSSCGKSA-N 297.196 3.693 30 20 CHED C=CCC[C@H](C(=O)NC[C@H]1CCCS1)c1ccccc1 188522377 MWYRNJCZPIKMKP-CVEARBPZSA-N 289.444 3.748 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](CC)c1nc(C)cs1 188558670 ONOXSSIVQUPBFQ-FZMZJTMJSA-N 266.410 3.621 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C#N)c(Cl)c1 191800729 BGKKOZDZWYWDBK-AWEZNQCLSA-N 262.740 3.752 30 20 CHED CCCCCCCCC(=O)NCC(F)(F)C(F)F 192019683 ZXLYHNDJXIMPIZ-UHFFFAOYSA-N 271.298 3.754 30 20 CHED O=C1/C(=C\c2cccs2)CCc2ccc([N+](=O)[O-])cc21 193154627 FURCXOLWPSSODB-FLIBITNWSA-N 285.324 3.869 30 20 CHED C=CCN(CC=C)C(=O)c1cc(Cl)cc2cccnc12 193443447 RNPGYXHSAQUAHL-UHFFFAOYSA-N 286.762 3.702 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc(-c3ccn[nH]3)c2)C1 193586395 FBGNNOFXHFMFMV-JSGCOSHPSA-N 266.348 3.571 30 20 CHED N#Cc1ccc(CC(=O)Oc2ccc3ccccc3c2)cc1 194706146 DXKRPNLLYSLPPB-UHFFFAOYSA-N 287.318 3.860 30 20 CHED O=C(/C=C/c1sccc1Cl)c1ccc(O)cc1O 195338966 YSVUQWRYNVDNPD-ONEGZZNKSA-N 280.732 3.709 30 20 CHED N#Cc1ccn(Cc2ccc(Cl)c(Cl)c2)c1 205584543 SBUXYCAGJBYHHP-UHFFFAOYSA-N 251.116 3.715 30 20 CHED O=C1/C(=C\c2ccc(O)cc2)Cc2ccc(Cl)cc21 210070179 SJKCEQWYKDVNMY-GHXNOFRVSA-N 270.715 3.868 30 20 CHED C[C@H](Cc1cccc(F)c1)N[C@H](C)c1ccc(C#N)cc1 222691201 MVECKFQAGZVVAV-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccccc1 224873105 ZECJITAEJKHUBB-LUAWRHEFSA-N 252.313 3.900 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(Cl)ccc1N 232515804 NODOULWHAHPJJE-UHFFFAOYSA-N 294.782 3.799 30 20 CHED C[C@H](CC#N)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 247484946 GEGMCAVMTIHCBI-MIMYLULJSA-N 297.185 3.515 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C\c3cccc(O)c3)c2c1 254956046 LHMNUMZENBSEQS-YVMONPNESA-N 293.322 3.778 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2cccc(F)c2)c1C 255729589 IAMLEIGVAZGCDU-HJWRWDBZSA-N 286.350 3.945 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C(C)C)sc2cccc(F)c12 264645597 RHHGMZFTSREACI-NSHDSACASA-N 290.363 3.627 30 20 CHED C=CCCCC(=O)N1CCn2cccc2[C@H]1c1ccccc1 267342033 SXUNERSTRDTASR-LJQANCHMSA-N 294.398 3.776 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(F)cc1Cl)OCC 270136942 QPXBTJFCOXBMNB-ZDUSSCGKSA-N 285.746 3.789 30 20 CHED C#CC[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 270462602 MIZSSJAYFRUINZ-QGZVFWFLSA-N 297.423 3.952 30 20 CHED C=CCC[C@H](NC(=O)N(C)CCC=C)c1ccccc1 276064589 JECPTIYRMSVBNQ-INIZCTEOSA-N 272.392 3.911 30 20 CHED CC(C)(C#N)CCCCn1ccnc1[C@H](O)c1ccccc1 277493863 CXQROZIHFVEOQJ-MRXNPFEDSA-N 297.402 3.685 30 20 CHED CC(C)N(CC1CCC1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 277979102 VPTBYLDWLPFXSW-AWEZNQCLSA-N 299.418 3.839 30 20 CHED C=CCC[C@@H](NC(=O)CC(C)(C)C#N)c1ccccc1 278297500 DDJZEEOFIYYFEG-OAHLLOKOSA-N 270.376 3.750 30 20 CHED COC[C@H](NCCC(C)(C)C#N)c1ccc(Cl)cc1 278882536 PHYPHVJNULVUEV-AWEZNQCLSA-N 280.799 3.557 30 20 CHED CC[C@@H](NC[C@@H](C)c1nccs1)c1ccc(C#N)cc1 278890189 YOHHQXYPLNLEDW-IUODEOHRSA-N 285.416 3.859 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(C(C)(C)C)s1 280599083 JCYDVMWMCKIOMP-DOMZBBRYSA-N 294.464 3.511 30 20 CHED CN(CCCC1(C#N)CCOCC1)c1c(F)cccc1F 281148932 BGBNPDOAPZLGAP-UHFFFAOYSA-N 294.345 3.502 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 281400889 PQGPEDMJIUQQHK-WFASDCNBSA-N 278.371 3.883 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(C#N)oc1C 281413157 XGPBZDBLDFITSX-IAQYHMDHSA-N 274.364 3.501 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 281438583 RZEWLOPXDSMDRD-VNQPRFMTSA-N 272.392 3.744 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(SC)cc1 285868671 HWFQABMGDQNRJA-NHYWBVRUSA-N 276.405 3.526 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2ccco2)cc1F 287277113 YQFCEIKRDDTGBH-MRXNPFEDSA-N 286.306 3.964 30 20 CHED Cc1cc([C@@H](C)N[C@H](CCC#N)c2ccccc2)no1 290766260 RXJIDJKLGFINQJ-UKRRQHHQSA-N 269.348 3.679 30 20 CHED CN(Cc1cc2ccccc2o1)[C@H]1CC[C@H](C#N)C1 292833114 OYMAZXUAMMXXFR-JSGCOSHPSA-N 254.333 3.557 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)[C@@H]1CC[C@H](C#N)C1 293927551 YMNSJWDUOSVWPZ-CMPLNLGQSA-N 266.747 3.603 30 20 CHED COc1cc(N[C@H]2CCC[C@@H](C#N)C2)cc(OC)c1C 293989698 BXCFLTCMIJTMMH-OLZOCXBDSA-N 274.364 3.507 30 20 CHED N#Cc1cccc(Sc2sccc2[N+](=O)[O-])c1 302037909 VLHAZEFCUVTCFV-UHFFFAOYSA-N 262.315 3.679 30 20 CHED N#Cc1ccc(N[C@H]2CC=CCC2)nc1N[C@@H]1CC=CCC1 302869981 BGBKFHYUWYAKRF-JKSUJKDBSA-N 294.402 3.994 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccccc1 303445199 IQEKQCFUTNEULQ-UHFFFAOYSA-N 257.377 3.895 30 20 CHED CC(C)CON=Cc1ccc(Br)s1 308156685 RSUZQVIWXDLRBN-UHFFFAOYSA-N 262.172 3.517 30 20 CHED Cc1c(CN[C@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] 318283046 MSXJSKOFNSVIRY-CYBMUJFWSA-N 295.342 3.626 30 20 CHED CCc1cncc(/C(O)=N/CC2(OC)CCC(C)CC2)c1 331055734 PKASYLSHPFJJCX-UHFFFAOYSA-N 290.407 3.544 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N(C)c1cc(Cl)cc(Cl)c1 334564042 QXWKTTJHQXXOCE-AMIZOPFISA-N 283.158 3.506 30 20 CHED Cc1cccnc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 335247714 IRYLZVCZHAFXMP-UHFFFAOYSA-N 299.399 3.873 30 20 CHED Cc1c(C(=O)N2CCC(CCC#N)CC2)oc2ccccc12 335500904 NOBHYWOZNBPDJX-UHFFFAOYSA-N 296.370 3.897 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCCC2(CCC2)C1 337851594 JPICHEMPIZGRLB-CQSZACIVSA-N 288.439 3.748 30 20 CHED N#Cc1ccc(COc2cnc3ccc(F)cc3c2)c(F)c1 337934934 HNTHXXWPFVYTPU-UHFFFAOYSA-N 296.276 3.964 30 20 CHED C=CCCC(=O)N(Cc1ccco1)c1ccccc1 338616389 DTUUQIIOWNGLEW-UHFFFAOYSA-N 255.317 3.779 30 20 CHED Cc1ccnc(CS[C@@H](C)c2ccc(C#N)cc2)n1 339417952 SQPLPMGGLJUHIY-LBPRGKRZSA-N 269.373 3.651 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccnc(C2CC2)c1 341091838 KYPWIQOAJKETNO-UHFFFAOYSA-N 298.411 3.849 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1CCCCS1 341105117 WYWJDTLZNRBFDT-CYBMUJFWSA-N 281.446 3.548 30 20 CHED CSc1ccc(CNCCc2cccc(C#N)c2)cc1 341491502 URFTYSNLAKJVJT-UHFFFAOYSA-N 282.412 3.612 30 20 CHED CC1(C)CC[C@@H]1NCc1cccc(OCCCC#N)c1 342227287 YJNYKVAAHWKINE-INIZCTEOSA-N 272.392 3.647 30 20 CHED N#CC1(CN2CCCSc3ccc(Cl)cc32)CC1 343312713 SJNYSWWIWPVQNQ-UHFFFAOYSA-N 278.808 3.946 30 20 CHED C=CCCCSCCOCC(F)(F)C(F)F 344883221 SMMNMCRIOBRNIZ-UHFFFAOYSA-N 260.296 3.603 30 20 CHED CCN(CCC#N)C(=O)c1cc2cccc(C)c2s1 345191181 RBRBDCBQPZOFNX-UHFFFAOYSA-N 272.373 3.586 30 20 CHED C=CCn1cccc1-c1nc(-c2ccccc2F)no1 345752501 ATFIQTMRLHFTGN-UHFFFAOYSA-N 269.279 3.530 30 20 CHED CCCCCn1cc(CNCc2ccc(C#N)cc2)c(C)n1 348354652 WAJWDNKFSGXKPK-UHFFFAOYSA-N 296.418 3.543 30 20 CHED N#Cc1ccncc1N1CCCC2(CCCCC2)C1 354343810 PRMJDURFVMOMNQ-UHFFFAOYSA-N 255.365 3.504 30 20 CHED Cc1cc([C@H](C)NC(=O)c2ccc(C#N)s2)c(C)s1 354358191 IGMRJRSCNOPNMP-VIFPVBQESA-N 290.413 3.789 30 20 CHED CC[C@H](NCCc1cccc(C#N)c1)c1ccc(F)cc1 355684662 QYDJIZAKLOGJCH-SFHVURJKSA-N 282.362 3.981 30 20 CHED CC1(C)C[C@H]1c1noc(/C=C\c2cccc(C#N)c2)n1 355898936 VTATUFCQVVNZBE-FWWRYZNZSA-N 265.316 3.625 30 20 CHED CCN(CCC#N)Cc1cscc1C(F)(F)F 356096104 YCUFMEKCWJNULM-UHFFFAOYSA-N 262.300 3.502 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCOc2c(F)ccc(F)c21 358202639 MEMRNAAONSEDKR-LBPRGKRZSA-N 295.329 3.507 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCCc2c(O)cccc21 361662498 QQJSPHBXMPHNOI-XEZPLFJOSA-N 259.393 3.960 30 20 CHED CCCCOC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 362453085 OCOZFPCGNACIAE-HNNXBMFYSA-N 286.419 3.900 30 20 CHED C=CCSc1ccccc1C(=O)Nc1ccc(C)nc1 362826760 OPHDEQCCXMYKIT-UHFFFAOYSA-N 284.384 3.920 30 20 CHED C=CCC1(C(=O)NCc2ncoc2-c2ccccc2)CCC1 365095273 RKAICCJXRQQBQB-UHFFFAOYSA-N 296.370 3.704 30 20 CHED CC(C)(CCC#N)CNC(=O)C1C[C@H]2CCC[C@H](C1)C2 376568999 JIAGLZYULWJCJJ-KBPBESRZSA-N 276.424 3.649 30 20 CHED C=C(CNCc1ccc(Br)o1)c1ccccc1 378984304 WALFRPMJZBDDBH-UHFFFAOYSA-N 292.176 3.845 30 20 CHED C[C@@H](CCc1ccccc1)Nc1nc2c(cc1C#N)CCC2 387084041 XEHWUCRZKDVJCL-AWEZNQCLSA-N 291.398 3.875 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(-c2cccc(C#N)c2)n1 395034672 BHUYBJXPIOSUSZ-FZMZJTMJSA-N 267.332 3.902 30 20 CHED N#CC[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 397778106 OCSBVHCHEBUTNN-CQSZACIVSA-N 262.784 3.508 30 20 CHED N#CCCC1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 399356208 OEMUIEITGRWSEX-QGZVFWFLSA-N 290.451 3.884 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@@H]1CCCc2ccccc21 410827114 JXNFAFSVPCDDMT-JKSUJKDBSA-N 284.403 3.647 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 411200664 OGLUFOBAASWVAA-LSDHHAIUSA-N 277.795 3.868 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 413389464 UQDAAAPFMXGKPS-BETUJISGSA-N 264.756 3.580 30 20 CHED COc1cccc([S@@](=O)CCC2(C#N)CCCCC2)c1 414233458 IRJXFUIZTPELFP-FQEVSTJZSA-N 291.416 3.667 30 20 CHED C=C(C)[C@H](N[C@@H](C)CCCCN)c1ccc(F)c(F)c1 423049958 KNAKQIDSUZTQOP-LRDDRELGSA-N 282.378 3.689 30 20 CHED COCCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 424331352 SALIHSBZYBLYKI-IAOVAPTHSA-N 290.382 3.575 30 20 CHED CC#CCCCc1nc(-c2occc2C(C)C)no1 426240471 RENZBQXQHXJXIM-UHFFFAOYSA-N 258.321 3.799 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)CC1CCCCC1 426601353 TZUKCPNDAMYOMB-CYBMUJFWSA-N 252.402 3.563 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)C(F)F)c(F)c1 433075695 HXYFPXOHBPDLDQ-HNNXBMFYSA-N 290.288 3.793 30 20 CHED Cc1cc[nH]c1C(=O)Nc1ccccc1SC[C@H](C)C#N 435702342 YSBXDFWLKMYQBI-LLVKDONJSA-N 299.399 3.827 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC(C)(C)C[C@H]1C 436296906 TYECRAGCPYIHLK-WCVJEAGWSA-N 265.441 3.772 30 20 CHED CC(C)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 441434346 JGISQWSRIQFICG-CQSZACIVSA-N 256.393 3.987 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(CC(F)(F)F)c2)C1 442850653 DMHOQHBUXYYHNQ-AAEUAGOBSA-N 268.282 3.896 30 20 CHED N#C[C@H]1CC[C@@H](NC2(c3ccc(F)cc3F)CCC2)C1 442875866 UMONANTVRXJEQR-WCQYABFASA-N 276.330 3.626 30 20 CHED CCOc1ccc(C#N)cc1NCc1nc(C)sc1C 443459310 CWSIEMLZCIHHGL-UHFFFAOYSA-N 287.388 3.642 30 20 CHED CCOCCC1(CNCc2ccc(C#N)c(C)c2)CCC1 444004003 POSSLUCJKPAASF-UHFFFAOYSA-N 286.419 3.553 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 446096001 SONWMKDPWIKQRY-BHYGNILZSA-N 286.419 3.662 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F 446290954 FANNPIICBDDOCE-MNOVXSKESA-N 280.334 3.571 30 20 CHED CC(C)(c1ccccc1)[S@@](=O)Cc1ccc(CC#N)cc1 447152362 HFFGLDUMXBXLTD-NRFANRHFSA-N 297.423 3.937 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 449438515 PXHRFYRJAMSZSQ-DZGCQCFKSA-N 272.392 3.808 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1CC1(C#N)CCC1 450899409 DHVLRPGQOXXHRA-RDJZCZTQSA-N 268.404 3.948 30 20 CHED C=CCC[C@@H](C(=O)NCCC(=C)C)c1ccccc1 452716230 GRYDZCDXYADKFW-MRXNPFEDSA-N 257.377 3.819 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(C#N)c(F)c1 453377599 IYBIZDOCIDEQCJ-VOJFVSQTSA-N 298.336 3.860 30 20 CHED C=C(C)CCNC(=O)Nc1cc(OCC)ccc1OCC 454284050 VPYSEDYNAPQNCF-UHFFFAOYSA-N 292.379 3.572 30 20 CHED C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(C)(F)F 454441985 JZCLNWUCIMSJNG-JTQLQIEISA-N 295.333 3.653 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)CC(C)(C)C#N 456841745 FYDZZWTZZXZLEF-UONOGXRCSA-N 264.413 3.649 30 20 CHED CCC[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C1CCC1 458300613 CFHCAAKZMZFNEW-QZTJIDSGSA-N 298.430 3.844 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@H]1CC(C)(C)c2ccccc21 458551313 DYCAURDBWYLTNL-HNNXBMFYSA-N 299.418 3.600 30 20 CHED C[C@H](C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 461735608 ICYYMHCOLOXUTL-UKCJKJFHSA-N 296.414 3.603 30 20 CHED Cc1nc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(Cl)cc1C#N 461951522 YATGTNYTVMCXIM-VNQPRFMTSA-N 295.773 3.665 30 20 CHED CN(CCc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1)C1CC1 463234549 CQJFMJRXYWISAH-FUHWJXTLSA-N 297.446 3.818 30 20 CHED CC#CCCCC(=O)Nc1ccc(Br)c(C)c1 464552275 KABRSOFPBMURTH-UHFFFAOYSA-N 294.192 3.890 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1c(F)cccc1Cl 466322552 OUGIZDLJQMMGTO-LLVKDONJSA-N 298.789 3.975 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1sccc1C 466388257 JAFOYAARMSUYEV-LBPRGKRZSA-N 266.410 3.553 30 20 CHED C=CC[C@H](CC)NC(=O)NC1(c2cccc(Cl)c2)CC1 466410276 RZPPPRANKBMFDV-AWEZNQCLSA-N 292.810 3.983 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](c1ccccc1)C(C)C 466546315 WGMUFKIBLQSAOW-CVEARBPZSA-N 259.393 3.897 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)COc1cccc(C)c1 467814676 ZCILAUPRGATGSH-HNNXBMFYSA-N 287.403 3.647 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C#N)cc1Cl 467962460 DXIVTTFOQGWLQB-CQSZACIVSA-N 262.740 3.752 30 20 CHED C=CCCCCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 468592501 VLZHFXNDZNUDOC-SDNWHVSQSA-N 274.364 3.944 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(Cl)c(C#N)c1 469492579 UPZLVONLDDZUMR-MNOVXSKESA-N 276.767 3.976 30 20 CHED C=CCCCCNC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 474090737 SSRXIDOTBXINPX-KBPBESRZSA-N 266.429 3.951 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CC[C@@H](C)O1 475044276 CVBPAXRJJUVJMN-NEPJUHHUSA-N 285.840 3.957 30 20 CHED Cc1nc(N2CCc3c(F)cc(F)cc3[C@@H]2C)ccc1C#N 487749888 OBNGTTIBAJQXNK-NSHDSACASA-N 299.324 3.664 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)Cc1cccc(F)c1 490068973 VTPRUDVCBPJXNW-CYBMUJFWSA-N 277.383 3.723 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCC[C@H](C)C1 490227182 MKDOQMOLFOUZAP-LSDHHAIUSA-N 275.392 3.663 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccccc1C)C1CC1 497634200 QHQZVAIVPQQUSZ-INIZCTEOSA-N 272.392 3.664 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1cc2ccccc2s1 502492105 NRNQGSLLQWAUMZ-MRXNPFEDSA-N 286.400 3.959 30 20 CHED C=C(C)CN(CC)Cc1nc2ccccc2n1CCC 505902450 GGEWBAQBBVRTOV-UHFFFAOYSA-N 271.408 3.844 30 20 CHED CCN(CCCOc1cc(C)cc(C)c1)C[C@@H](C)C#N 506066550 KVGVATWCPPOXRY-INIZCTEOSA-N 274.408 3.554 30 20 CHED C=C(C)CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 512383847 GIGQOGNVXWBTIK-UHFFFAOYSA-N 295.308 3.557 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 512738859 GVQIQXBWJNQCRG-VHSXEESVSA-N 279.771 3.768 30 20 CHED C=CCOCCS[C@@H]1CCCN(Cc2ccccc2)C1 516866791 PTLGUSOZPTXLOJ-QGZVFWFLSA-N 291.460 3.587 30 20 CHED C=CCCCSCc1ccc(OC)c([N+](=O)[O-])c1 522756172 LYBIFBDKMAMALE-UHFFFAOYSA-N 267.350 3.803 30 20 CHED CCC[C@@H](C#N)NC(=O)c1oc2ccc(Cl)cc2c1C 523700603 XZYVIYKBAFBQBA-NSHDSACASA-N 290.750 3.817 30 20 CHED C=CC[C@@H](C)NC(=O)NCC(C)(C)c1ccc(Cl)cc1 523900928 GVDHOPLEOXNXLX-GFCCVEGCSA-N 294.826 3.881 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 524062354 MEZXMBYOQXZBEV-KFWWJZLASA-N 278.440 3.847 30 20 CHED C[C@H](CNc1ncc(C#N)cc1Cl)c1ccc(F)cc1 524166425 FYMSURZBWYQFKK-SNVBAGLBSA-N 289.741 3.961 30 20 CHED N#Cc1nnc2ccccc2c1Nc1ccc2c(c1)CCC2 524857750 JPYIZOXSKOFHRX-UHFFFAOYSA-N 286.338 3.734 30 20 CHED CC1CC(C#N)(C(=O)NC[C@@H](Cc2ccccc2)C(C)C)C1 526065760 XBCCJZBDLDDIQD-URSIVYNOSA-N 298.430 3.557 30 20 CHED N#CCCCCN1CCc2cccc(C(F)(F)F)c2C1 528794111 PJUWXILDMBHSBA-UHFFFAOYSA-N 282.309 3.757 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1ccc(F)c(Cl)c1 529172022 ILZRMMZJUSEUHN-UHFFFAOYSA-N 296.773 3.767 30 20 CHED CC[C@@H](c1ccccc1)N(CC)c1cccc(C#N)n1 533685547 BRCVTKRLHJDOIN-INIZCTEOSA-N 265.360 3.931 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 537097395 NCYBPECNZMXRBX-QWRGUYRKSA-N 288.218 3.829 30 20 CHED C=CCC[C@@H](NCC1([C@@H](C)CCO)CCC1)C1CC1 537309219 ZGBBEAVLBCDXQN-GOEBONIOSA-N 265.441 3.510 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)Cc1ccsc1 539388815 UBBDKOFAPPIYIU-OLZOCXBDSA-N 280.437 3.723 30 20 CHED CC1(CNC(=O)CCc2ccc(C#N)cc2)CCCCCC1 539543623 MUSYAUMASNQDKS-UHFFFAOYSA-N 298.430 3.968 30 20 CHED CCC1CCN(c2ccc3cc(C#N)ccc3n2)CC1 540077451 BWMMZIVNXCAUEJ-UHFFFAOYSA-N 265.360 3.733 30 20 CHED CC[C@@](C)(NCc1ccc(CC#N)cc1)C(F)(F)F 541281624 GUIHZWFPFUNJJF-CYBMUJFWSA-N 270.298 3.573 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCCC[C@@H]1SCC 543253862 TUUFHAKZJKKFEX-IHRRRGAJSA-N 284.469 3.705 30 20 CHED CCSCC[C@@H](C)N(C)c1ncc(Cl)c(C)c1C#N 544066510 RTUDWKCZLGBLMX-SNVBAGLBSA-N 297.855 3.883 30 20 CHED COc1cc(-c2noc(-c3cc(C#N)cs3)n2)ccc1C 545570203 OFVCDJOUSYVJEA-UHFFFAOYSA-N 297.339 3.654 30 20 CHED N#Cc1ccc(CCc2nc(-c3ccc(F)cc3)no2)cc1 546957019 YSYQDQLXRHKPAB-UHFFFAOYSA-N 293.301 3.533 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCN(C)C1CCCCC1 548064291 MZGHPZVOKWOERF-OAHLLOKOSA-N 280.456 3.502 30 20 CHED C=C1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 550328311 PCCKBEYGUSSLTR-UHFFFAOYSA-N 296.395 3.874 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Cn1ccc2ccccc21 552550697 JFKOGUZXGYBFGO-DOTOQJQBSA-N 296.414 3.845 30 20 CHED Cc1nsc(N(C)C[C@@H](C)c2ccccc2)c1C#N 553384175 BZJOOEIOAMYRRL-LLVKDONJSA-N 271.389 3.563 30 20 CHED N#Cc1ncccc1N1CC=C(c2cccc(Cl)c2)CC1 555157728 PAPNRWDNBHENDN-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C=C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 557563960 NHDXRWMXEYRORQ-UHFFFAOYSA-N 275.417 3.809 30 20 CHED Cc1ccc(-c2nc(CNCC3(C#N)CC3)cs2)cc1 562384136 FPKJLNVFXDNAIL-UHFFFAOYSA-N 283.400 3.512 30 20 CHED C[C@H](CC1CCCC1)C(=O)N1CCc2ccc(C#N)cc21 563508360 CBVIFFFPTMNTHM-CYBMUJFWSA-N 282.387 3.664 30 20 CHED CSCC[C@](C)(C#N)NC(=O)C[C@@H](C)C1CCCCC1 571799848 OAJWMOKEULCFEC-CZUORRHYSA-N 296.480 3.744 30 20 CHED Cc1ccc(C2(CNC(=O)C(C)(C)C#N)CCCC2)c(C)c1 572316136 GMJRCCRELWMKNM-UHFFFAOYSA-N 298.430 3.781 30 20 CHED C=CC[C@@H](C(=O)N(C)c1ccc(C)cn1)c1ccccc1 574555864 HUJSJHRCDWQGAQ-MRXNPFEDSA-N 280.371 3.713 30 20 CHED Cc1csc2ncnc(N(CCC#N)CC(C)(C)C)c12 574585305 XNOMGMNIRPPPJZ-UHFFFAOYSA-N 288.420 3.766 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H](CC)OCC)c1ccc(F)c(F)c1 574858035 XINRSLHGRLCBAS-CABCVRRESA-N 297.345 3.513 30 20 CHED N#Cc1ccc(N2CCC[C@H]2[C@H]2CCCOC2)cc1Cl 575746318 UEYQHQVDYZZKNB-BBRMVZONSA-N 290.794 3.607 30 20 CHED CC#CCCN[C@@H](C)Cc1ccc(F)cc1Br 576028270 CGELRXJOUTTYEK-NSHDSACASA-N 298.199 3.522 30 20 CHED N#CC1(CNC(=O)c2ccc(C3CCCCC3)cc2)CC1 576477506 VBZUZAPQEKLCSK-UHFFFAOYSA-N 282.387 3.768 30 20 CHED N#Cc1sccc1-c1ccccc1CC1(C(=O)O)CC1 581736752 HLTNNVUGDYEWEP-UHFFFAOYSA-N 283.352 3.694 30 20 CHED C=CCCCCSCC(=O)N(C)Cc1ccccc1 582656277 PFKJIAZGCCSVGK-UHFFFAOYSA-N 277.433 3.735 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1cccc(F)c1F 588386930 QPBJKMHLPMQIFU-SREVYHEPSA-N 279.673 3.909 30 20 CHED CC(C)N(C)c1ccc(/C=C\C(=O)c2ccc(F)cc2)cn1 588578848 HZJGKSYZPZCZBV-WMZJFQQLSA-N 298.361 3.961 30 20 CHED N#CCCCCCc1nc(-c2ccc3[nH]ccc3c2)no1 589084843 KTIVGDVFICKOER-UHFFFAOYSA-N 280.331 3.844 30 20 CHED Cc1cccc2c(C(=O)N3CCC[C@@](C)(C#N)C3)coc12 591777894 NEOUKYMPOCJMPT-KRWDZBQOSA-N 282.343 3.507 30 20 CHED CCCc1ccc(CCCC(=O)NCC2(CC#N)CC2)cc1 592629126 YYVSXNLEFTZTRJ-UHFFFAOYSA-N 298.430 3.772 30 20 CHED CC[C@H](C#N)C(=O)N1CCCCC[C@@H]1c1ccccc1 593412794 SECWZBIOWRTLBV-GDBMZVCRSA-N 270.376 3.680 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2ccc(-c3ccco3)nn2)C1 593440665 BFSDNJIMIIYYRC-GHMZBOCLSA-N 271.345 3.521 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@H](OC2CCC2)C1 594027705 YPFLTZFWUCXRQE-KDOFPFPSSA-N 284.403 3.653 30 20 CHED COc1ccc([C@@H]2CCCN2CCCCC#N)cc1F 595750370 AWLNEJRKQJMFNL-HNNXBMFYSA-N 276.355 3.665 30 20 CHED CCc1ccc([C@@H](C)C(=O)N2CCC[C@H](CC#N)C2)cc1 597913198 NPTURUYQORIWRN-GDBMZVCRSA-N 284.403 3.505 30 20 CHED CCC[C@@H](C(=O)N(CC)CC#N)c1cccc(Cl)c1 599154861 NPXCZEMCUOWIDK-CQSZACIVSA-N 278.783 3.596 30 20 CHED C[C@@H](CCC#N)N1CCC[C@H](c2ccc(F)c(F)c2)C1 599516429 UDCKAZFNQCGXFG-JSGCOSHPSA-N 278.346 3.836 30 20 CHED CCc1ccc(C2CCN(C(=O)C(C)(C)C#N)CC2)cc1 600681177 GJIJTXVLRPNKHT-UHFFFAOYSA-N 284.403 3.505 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1ccc(Cl)cc1 602505020 PHQRZEBYUMQLKW-NWDGAFQWSA-N 250.773 3.930 30 20 CHED C[C@H](CCC#N)CNC[C@H](c1ccccc1)C(F)(F)F 602622405 IEUQEOBOHZVIAK-TZMCWYRMSA-N 284.325 3.862 30 20 CHED N#CCC1(CN(CCc2cccc(F)c2)C2CC2)CC1 602788187 UKCUAOLNYPRNNP-UHFFFAOYSA-N 272.367 3.526 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)c2cccc(C)c2C)CC1 604670179 YNWNDFHFXDOAGC-OAHLLOKOSA-N 286.419 3.972 30 20 CHED CC(C)CN(C(=O)[C@@H](C)c1ccco1)c1ccc(C#N)cc1 610171424 RMXSLOZXQOSBJI-AWEZNQCLSA-N 296.370 3.944 30 20 CHED N#Cc1cccc(OCCN2CC[C@@H]2c2cccc(F)c2)c1 610505820 XUEONIIQFFKZHR-GOSISDBHSA-N 296.345 3.523 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1cccc(C#N)c1 610717492 KHXVBOMGSKMIME-CYBMUJFWSA-N 268.360 3.504 30 20 CHED CC(C)(C)OC(=O)CCCCNc1ccc(C#N)cc1F 611338686 WPWWCAUNIRVLOI-UHFFFAOYSA-N 292.354 3.621 30 20 CHED CC(C)c1cc(C(=O)NCC(C)(C)C#N)c2ccccc2n1 611694870 FOLQJMLVOIZPKE-UHFFFAOYSA-N 295.386 3.638 30 20 CHED CCc1cnccc1[C@H](C)NCc1ccc(C#N)cc1C 614406216 XPLKDKRREIMGSF-AWEZNQCLSA-N 279.387 3.675 30 20 CHED C[C@H](NC(=O)c1csc(Cl)c1)c1cccc(C#N)c1 615567769 AAFMIIDDGCKNOH-VIFPVBQESA-N 290.775 3.764 30 20 CHED CCN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)[C@H](C)C(C)C 618846975 OBFLAZSIAHRXDU-CXAGYDPISA-N 299.418 3.622 30 20 CHED C[C@@H](CC#N)NCc1cc(Cl)ccc1OCC1CC1 619535442 GQTQTWNVEJBWIQ-NSHDSACASA-N 278.783 3.521 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@@H](NCC(C)(C)C#N)C1 619612234 KLRGNSVIICMJKV-HUUCEWRRSA-N 271.408 3.556 30 20 CHED C=CCCC(C)(C)NC(=O)c1nn(-c2ccccc2)cc1C 620857764 IUJQOLCSXRINLO-UHFFFAOYSA-N 297.402 3.655 30 20 CHED C=CCOc1c(Cl)cc(CNC2CC=CC2)cc1OC 623447160 HFBKLKWHHQTXTC-UHFFFAOYSA-N 293.794 3.722 30 20 CHED C=CCC1(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CCCCC1 627659357 NAMNVEHCEQZZKV-OKZBNKHCSA-N 295.426 3.968 30 20 CHED C=CCCCCN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 649528080 JCWRRYHOXMKTSQ-GVDBMIGSSA-N 265.441 3.748 30 20 CHED C=CCC1(NCc2ccc(OCC)cc2C)CCOCC1 657634909 SAVNGWDAMHCPHF-UHFFFAOYSA-N 289.419 3.609 30 20 CHED C=C(C)CN1CCC(NCc2cccc(C(C)C)c2)CC1 663315769 MNBICCXOAWEANY-UHFFFAOYSA-N 286.463 3.940 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(OC)cc1 664470366 YNQKRAHTKCUILK-UHFFFAOYSA-N 262.353 3.562 30 20 CHED CC(=O)c1cccc(NC(=O)CC2(C#N)CCCCC2)c1 665122351 YEGHIZJYJQSUOK-UHFFFAOYSA-N 284.359 3.692 30 20 CHED C=CC[C@H]1CCCN(Cc2cn(C)nc2C(C)(C)C)C1 668494117 WEQURRIMMLVRAI-AWEZNQCLSA-N 275.440 3.506 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2oc(C(C)C)nc2c1 674985251 FMVYKOYLUBZVFQ-SNVBAGLBSA-N 273.336 3.647 30 20 CHED C=C(C)[C@H](NC(=O)N1CC(C)(C)C1)c1ccc(F)c(F)c1 683993257 BWJQIEGQVYXDBY-AWEZNQCLSA-N 294.345 3.633 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2cc(C)ccc2s1 685744806 MKRLMZNMSLQQPU-LLVKDONJSA-N 259.374 3.904 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cnn(Cc2ccccc2)c1 695842158 KRFSEGZHSORKQT-AWEZNQCLSA-N 282.391 3.672 30 20 CHED N#Cc1c(F)cccc1NCc1nc2c(s1)CCCC2 719634670 BLIFOQIVHZHEKN-UHFFFAOYSA-N 287.363 3.645 30 20 CHED N#Cc1c(Cl)ncc2cccc(Br)c12 725541775 CUEXGJAALZXGNL-UHFFFAOYSA-N 267.513 3.522 30 20 CHED C#Cc1cccc(NC(=S)N(C)Cc2ccccc2F)c1 726440243 VJPKUYNYKYMJES-UHFFFAOYSA-N 298.386 3.636 30 20 CHED C#Cc1cccc(N(C(=O)C[C@@H](C)C2CC2)C(C)C)c1 728245805 IYMVNQFHRNAKQY-CQSZACIVSA-N 269.388 3.846 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccco1 728432139 NGIGTDMXVXVTAP-UHFFFAOYSA-N 251.289 3.664 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C/c1ccccc1F 728874049 LYLMEKBQBHAXNO-CMDGGOBGSA-N 288.366 3.627 30 20 CHED C=CCCOC(=O)c1sc(-c2ccc(C)o2)nc1C 729072226 DFBZPTGRVNMJBM-UHFFFAOYSA-N 277.345 3.753 30 20 CHED C=C(C)COC(=O)CCc1nc(C)c(-c2ccccc2)o1 730336722 WYCBJPORBQLRLJ-UHFFFAOYSA-N 285.343 3.702 30 20 CHED Cc1cccc2c1OC/C(=C/c1cccc(F)c1F)C2=O 730729490 JIHYVPWYMSOJCM-WQLSENKSSA-N 286.277 3.932 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)Cc2c(F)cccc21 730729702 NLFOOAQNZPBJQB-JXMROGBWSA-N 274.241 3.926 30 20 CHED Cc1cc(NN=Cc2ccc(OCCC(C)C)cc2)ncn1 731935263 RWDISCDGKKVKMF-UHFFFAOYSA-N 298.390 3.656 30 20 CHED CC(=NNc1cccc(Cl)c1)c1cncs1 734744104 ABMLJLDPOXMQEV-UHFFFAOYSA-N 251.742 3.633 30 20 CHED C=CCCCOC(=O)Cc1ccc(-n2nc(C)cc2C)cc1 735529535 DEIHWRVLMMSXRA-UHFFFAOYSA-N 298.386 3.541 30 20 CHED C=CCCCOC(=O)Cc1ccccc1Br 735534969 XSCYGCRZPYQJAG-UHFFFAOYSA-N 283.165 3.501 30 20 CHED CC(C)N(CCC#N)Cc1c(O)ccc2ccccc12 739841315 HFJXDUWIXDDOLA-UHFFFAOYSA-N 268.360 3.669 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cnc3c(C)cccn13)C2=O 741467508 MPDFXJAEOLXXKT-GDNBJRDFSA-N 288.350 3.774 30 20 CHED O=C(O)c1ccc(/C=C2\Cc3cc(Cl)ccc3C2=O)cc1 742438624 ZZDOFJBDLYDMQF-NTUHNPAUSA-N 298.725 3.861 30 20 CHED Cc1nnc(C)n1N=Cc1sc2ccccc2c1Cl 744756100 NDSJUOYYURYVTM-UHFFFAOYSA-N 290.779 3.645 30 20 CHED CCOc1ccccc1/C=C1\Cc2ccc(OC)cc2C1=O 747441346 VSNHESOXCJQBLI-RVDMUPIBSA-N 294.350 3.916 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(C#N)s1 748789570 VAHIUPYKESEMQK-GFCCVEGCSA-N 263.410 3.902 30 20 CHED Cc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1[N+](=O)[O-] 749747100 VIVHELOMIKPYBX-CHHVJCJISA-N 299.257 3.659 30 20 CHED C[C@@H](C(=O)OCc1ccc(C#N)cc1F)c1ccccc1 752004119 NVGIVLFJVKQXOV-GFCCVEGCSA-N 283.302 3.544 30 20 CHED Cc1ccc(NN=Cc2c(C)cc(Cl)cc2C)nn1 756889414 KAROUZQGDMCYDS-UHFFFAOYSA-N 274.755 3.501 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1C 757467289 CWYSCHDDCFSLJV-ALCCZGGFSA-N 268.312 3.611 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccccc2O)cc1OC 757476546 WYXTXHMLRRKQJQ-NTMALXAHSA-N 298.338 3.696 30 20 CHED C[C@H](C=NNc1ccc([N+](=O)[O-])cn1)CC1CCCCC1 758114056 UXJPCHYPQUSWBI-LBPRGKRZSA-N 290.367 3.994 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(N)cc2C)c1 758119765 UKCYCIYSNCKPMO-UHFFFAOYSA-N 287.338 3.561 30 20 CHED Clc1ccccc1[C@H]1CCCC1=NN=c1cc[nH]cc1 758128139 WFRDBXJPCSPALM-CQSZACIVSA-N 285.778 3.893 30 20 CHED Cc1cccc2ncc(/C=C/C(=O)c3ccc(Cl)nc3)n12 759081494 HMKCTRVXFJQACJ-VOTSOKGWSA-N 297.745 3.587 30 20 CHED N#Cc1ccc(F)cc1COC(=O)CC1CCCCC1 759345834 JXRPMFSWXRJPLM-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C#CCCN(CC)Cc1ccc(Cl)c(Cl)c1 760818712 JMMTZGIGXSAQAT-UHFFFAOYSA-N 256.176 3.839 30 20 CHED Clc1cccc(Cl)c1NN=Cc1cccnc1 763187553 DAWIFJKXVASIGB-UHFFFAOYSA-N 266.131 3.834 30 20 CHED COc1ccsc1/C=C1\Cc2c(C)cccc2C1=O 764432329 LGUQQWPOYATNOV-PKNBQFBNSA-N 270.353 3.888 30 20 CHED C=C(Br)CNc1nc(C(C)(C)C)ccc1C#N 767182926 NNWZQQPLUFPANE-UHFFFAOYSA-N 294.196 3.571 30 20 CHED C#CCCCC(=O)N(C)c1nc2ccc(Cl)cc2s1 767378441 QBMBINYJWHUAHS-UHFFFAOYSA-N 292.791 3.716 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)C1CCCC1 768381725 LQOHEEVJODQXED-UHFFFAOYSA-N 262.744 3.585 30 20 CHED C=CCCCCNCc1ccc2c(c1)COC(C)(C)O2 770668371 MBGWDJXQPANIJO-UHFFFAOYSA-N 275.392 3.778 30 20 CHED CCCCCCCCC(=O)N[C@H](CO)c1ccc(F)cc1 771128436 WFWPVWSOCSQZLD-MRXNPFEDSA-N 295.398 3.726 30 20 CHED C[C@@H](COc1ccccc1)Nc1snc(Cl)c1C#N 771137898 KZLCMFBLEAYDHG-VIFPVBQESA-N 293.779 3.548 30 20 CHED Cc1cnc(COc2cc(Cl)ccc2C#N)s1 771560038 MTMMNQYKEPERHN-UHFFFAOYSA-N 264.737 3.556 30 20 CHED C#CCOc1cccc(NC(=O)C2=CCCCCC2)c1 772990180 OOJATHPHRCWWEQ-UHFFFAOYSA-N 269.344 3.528 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(OCC(F)F)cc2)C1 774304007 TYWAFKPTUVBHSM-AAEUAGOBSA-N 280.318 3.825 30 20 CHED CCCc1cccc(C=Nn2c(S)nnc2C(C)C)c1 774342374 GWWVAJYFXCRYFH-UHFFFAOYSA-N 288.420 3.525 30 20 CHED C(=NOC1CCCC1)c1cccn1Cc1cccs1 774604430 XLDMYEVTUCGLOX-UHFFFAOYSA-N 274.389 3.891 30 20 CHED C=C(CC)COc1cc(Cl)cnc1Br 774670756 CEHGUAJWUKCUPR-UHFFFAOYSA-N 276.561 3.843 30 20 CHED C#C[C@@H](C)N(C)Cc1cc(Cl)c(OCCC)c(OC)c1 775183035 GPBRHOBAKWFARJ-GFCCVEGCSA-N 295.810 3.591 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cccc(F)c2F)c(F)c1 776268014 JJWXPYRCTKCDTM-SREVYHEPSA-N 287.240 3.872 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1ccc(F)cn1 776785951 OGAIEENZUXYFFK-UHFFFAOYSA-N 294.333 3.913 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)C1CCSCC1 777432403 CFUFGRGTSHBPLY-LBPRGKRZSA-N 262.422 3.856 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NOCCC(F)(F)F 777462407 APRRQAKACFEVTM-UHFFFAOYSA-N 288.244 3.918 30 20 CHED Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)c(Cl)n1 777787909 OACKRINTNSLKAN-UHFFFAOYSA-N 289.678 3.616 30 20 CHED Cc1cc(/C=C2\Cc3cc(O)ccc3C2=O)ccc1F 780188487 SFOQLCBPNKQYSE-NTUHNPAUSA-N 268.287 3.662 30 20 CHED C[C@H]1CCCC(=NNc2ncccc2Cl)[C@@H]1C 781123521 XXSDJGZNOLERON-VHSXEESVSA-N 251.761 3.959 30 20 CHED CC#CCCCC(=O)OCc1ccc(Cl)cc1F 781208696 JEPZLMVYOUGBQP-UHFFFAOYSA-N 268.715 3.716 30 20 CHED CC1(C)CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 781771272 CIVWVTFTFSEVAT-RYUDHWBXSA-N 282.343 3.830 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cnc(-c2ccco2)s1 782287733 NUABIKPRAZIJPI-ZDUSSCGKSA-N 289.404 3.905 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1cc(C)cc(C)c1 782437897 CTTQTRZBUJZEBI-QGZVFWFLSA-N 276.376 3.575 30 20 CHED CCOc1ccc(C=O)c(OCc2ccc(C#N)c(C)c2)c1 783001896 SINGEBSHLPYSJJ-UHFFFAOYSA-N 295.338 3.657 30 20 CHED CC1=C(C(=O)OCc2ccc(C#N)cc2Cl)CCC1 784236697 IPQSKSSCBACDEE-UHFFFAOYSA-N 275.735 3.755 30 20 CHED C=CCCCCCOC(=O)[C@@H]1CCO[C@@H](CCC)C1 784607973 APRGIOCTQXRMEX-CABCVRRESA-N 268.397 3.871 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc2ccccn2c1 785996015 DBEUBWFXVWMLMC-UHFFFAOYSA-N 284.359 3.816 30 20 CHED C#CCC1(C(=O)Nc2n[nH]c(C3CC3)c2C)CCCCC1 788588286 RHUUWSSLRJGPRL-UHFFFAOYSA-N 285.391 3.508 30 20 CHED COCCON=C(C)c1ccc(OC(C)C)c(Cl)c1 789022493 DJCPYLWSQZMENI-UHFFFAOYSA-N 285.771 3.514 30 20 CHED CC(C)(C)C1CCN(N=Cc2cccc(F)c2O)CC1 790178663 HCYBYPLRSDLXMN-UHFFFAOYSA-N 278.371 3.623 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1cccs1 790311315 ZXRUUTZXANXJJK-UHFFFAOYSA-N 279.296 3.632 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(CCC(F)(F)F)cc1 791200939 MANQSNUVPWHNRB-AWEZNQCLSA-N 297.320 3.713 30 20 CHED CC(C)[C@H]1CCC[C@H](NCc2ccc(OCC#N)cc2)C1 792975914 IKGVXYCULRMTJY-IRXDYDNUSA-N 286.419 3.893 30 20 CHED Cc1cc(/C=C/C(=O)c2ccnc(F)c2)cc2cccnc12 794719185 HUCGCJCEBNIBHW-SNAWJCMRSA-N 292.313 3.973 30 20 CHED Cc1ccc(OC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 794837345 RVMPUNXXPBGWJP-UHFFFAOYSA-N 297.329 3.889 30 20 CHED CCC(=NN[C@H]1CCOC(C)(C)C1)c1cccc(C)c1 794932505 IGXRFDILVWSCLN-HNNXBMFYSA-N 274.408 3.656 30 20 CHED CC(C)n1nccc1/C=C1\Oc2c(Cl)cccc2C1=O 794943620 ZFLNOWBLQSOQRI-JYRVWZFOSA-N 288.734 3.734 30 20 CHED CCCCCCCCOc1ccccc1CS(C)(=O)=O 795248233 VFIDGLKXUHQDGK-UHFFFAOYSA-N 298.448 3.971 30 20 CHED Cc1nc(C(C)C)oc1C(=O)OCCCC(C)(C)C#N 796181928 CKAPRWFWNYOATM-UHFFFAOYSA-N 278.352 3.593 30 20 CHED CC(Cc1cccc(C(F)(F)F)c1)=NNCC(F)(F)F 799113854 XEYCOGGSDOBXET-UHFFFAOYSA-N 298.230 3.776 30 20 CHED CC[C@H](C)Oc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 799721334 BPFHEVXSSGWUEY-GZBFAFLISA-N 258.365 3.968 30 20 CHED Cn1cnc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)c1 800794759 PIPGDLHMSXNYBD-FPLPWBNLSA-N 278.311 3.576 30 20 CHED FCCC[C@@H]1CCCC1=NNCCc1ccccc1F 800814259 LNPMCJIBABLGOE-AWEZNQCLSA-N 280.362 3.864 30 20 CHED CC(C)(C)C1CCC(=NN[C@@H]2CCSC2)CC1 807998949 CMZMTJUBHLFSHQ-GLGOKHISSA-N 254.443 3.674 30 20 CHED O[C@@H](CCON=Cc1ccc(Cl)cc1)c1ccccc1 808245206 IYYKBBQACWLCFC-INIZCTEOSA-N 289.762 3.814 30 20 CHED Cc1cc(OC(=O)c2cc(C#N)ccc2Cl)ccc1F 808573145 VGZFDFZDFJBHKH-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C[C@H]1/C(=C/c2cc(C(=O)O)cs2)C(=O)c2ccccc21 809157533 UAZVTEMOVFMOEN-UGHKADQRSA-N 284.336 3.830 30 20 CHED C#C[C@@H](CC)NCc1ccc(-c2ccccc2OC)cc1 809686564 ZBIDEJJUNVVNGK-KRWDZBQOSA-N 279.383 3.864 30 20 CHED CC(C)(CCC#N)CNCc1cc(Cl)cc(F)c1O 809777671 DNUNJUWQMYIDOM-UHFFFAOYSA-N 284.762 3.604 30 20 CHED C#CCC1(OC(=O)CCc2c[nH]c3cc(C)ccc23)CCC1 810750456 KQRIZBINXYPDLC-UHFFFAOYSA-N 295.382 3.898 30 20 CHED COc1ccc2nc(/C=C/c3nc(C#N)cs3)sc2c1 811687198 LKIVLFSGDDTHTI-SNAWJCMRSA-N 299.380 3.803 30 20 CHED N#Cc1csc(/C=C2/Oc3cccc(Cl)c3C2=O)c1 811698231 PWOAYMIRFCZNCZ-LFYBBSHMSA-N 287.727 3.889 30 20 CHED COc1ccccc1CON=C1CS[C@H](C(C)C)C1 814924088 VDTANQULYRCNMN-HNNXBMFYSA-N 279.405 3.729 30 20 CHED CCOc1ccc(NN=Cc2ccc(Cl)o2)cc1 814985246 YKMZVXYOOSMZOS-UHFFFAOYSA-N 264.712 3.778 30 20 CHED N#CC1CCC(CNCc2ccc3ccccc3c2O)CC1 816599482 OEAJZLZKLFYJQH-UHFFFAOYSA-N 294.398 3.965 30 20 CHED C[C@H](N[C@@H]1CCc2cccnc2CC1)c1cccc(C#N)c1 817578674 OAVVISXGIUPSIC-KBXCAEBGSA-N 291.398 3.551 30 20 CHED CC(C)(C)OC(=O)C(C)(C)CC/N=C\c1ccccc1O 818991747 IVVZELLSKKDOHS-PDGQHHTCSA-N 291.391 3.569 30 20 CHED CCCCOc1ccccc1C=NN[C@@H](C)c1ccncc1 819817168 XAPSXPANSACFLX-HNNXBMFYSA-N 297.402 3.945 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H]1CCO[C@H](C(C)C)C1 820571673 NTATWARJDFUSCK-KBPBESRZSA-N 268.397 3.583 30 20 CHED C#C[C@H](NC1CCC(OC2CCCC2)CC1)C(C)(C)C 824403653 XYMICULANOGDIV-PREGVCBESA-N 277.452 3.894 30 20 CHED C=CCN(CCC#N)Cc1ccc(N2CCCCC2)c(C)c1 829992965 CRHQXLIJDQFRID-UHFFFAOYSA-N 297.446 3.887 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@]1(C)CC1(Cl)Cl 832846009 YKJBWZGJEGXZQT-LBPRGKRZSA-N 278.223 3.679 30 20 CHED N#Cc1cccc(S[C@H](C(=O)O)c2ccccc2F)c1 833074770 BXHBWEVDMPYDRS-AWEZNQCLSA-N 287.315 3.615 30 20 CHED COc1ccccc1CON=C1CCCc2cc(N)ccc21 834976150 IOMQDOLFCVRXAR-UHFFFAOYSA-N 296.370 3.535 30 20 CHED CC(C)C1CCC(=NN[C@@H](C)C(F)(F)F)CC1 834999446 FTFWNZRQHBQDMV-RGURZIINSA-N 250.308 3.729 30 20 CHED C#C[C@@H](Cc1ccccc1)OC(=O)[C@@H](CC)CC(F)(F)F 835240583 KDDYWTNWTCICLN-KBPBESRZSA-N 298.304 3.753 30 20 CHED C=C[C@@H](CC(=O)O[C@@H](C)c1csnn1)c1ccccc1 836092437 XOUODTYTFKKBPW-RYUDHWBXSA-N 288.372 3.502 30 20 CHED N#CCc1ccc(C(=O)N2CCCCCCCC2)cc1 836922552 AWCOMWGHDFZYIU-UHFFFAOYSA-N 270.376 3.549 30 20 CHED C#CCC[C@H](C)OC(=O)c1c(-c2ccccc2)noc1C 839033731 HQWSWJHOLGZPQV-LBPRGKRZSA-N 283.327 3.609 30 20 CHED C=CCC1(C(=O)Nc2ccc(Cl)nn2)CCCCC1 839274952 SLLGJCIFGGQKOI-UHFFFAOYSA-N 279.771 3.595 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Oc1ccc(C#N)cc1F 839304511 FDUBSGQZWMPXOF-SECBINFHSA-N 289.228 3.581 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(CC(C)C)c2)nn1C 840718395 AYNUKKSBTJXVLH-CMDGGOBGSA-N 282.387 3.823 30 20 CHED CC(C)(C)CCCC(=O)Nc1nc(Cl)c(C#N)s1 841224770 FHFLAIULAVLPLA-UHFFFAOYSA-N 285.800 3.823 30 20 CHED CCCC(=NNc1nc(-c2cccnc2)no1)[C@@H]1CC1(C)C 841641334 UQIUNRUNEOZWOJ-LBPRGKRZSA-N 299.378 3.746 30 20 CHED C[C@H](C#N)OCCSCc1sccc1Cl 842183050 KFFWUUDPLIXXDF-MRVPVSSYSA-N 261.799 3.563 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC(F)(F)CC1 842533500 REENALJEGJNEAL-LBPRGKRZSA-N 282.334 3.609 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1sccc1C)c1ccccc1 843643155 PXRJGBHMRHRWER-XHSDSOJGSA-N 295.407 3.651 30 20 CHED C=C[C@@H](CC(=O)N(OCC)C(C)C)c1ccccc1 844077217 HJXVJAYLNPBLFK-AWEZNQCLSA-N 261.365 3.535 30 20 CHED C#CCCCCCC(=O)NCCC[C@H]1CC1(Cl)Cl 844960291 FYPFSFCZSYRMOP-LBPRGKRZSA-N 290.234 3.660 30 20 CHED CCCC(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 845446899 WATRDAHFBOOBHJ-LLVKDONJSA-N 270.332 3.830 30 20 CHED C=C(C)CONC(=O)N(C1CCC(CC)CC1)C1CC1 845602618 UAWMSKOJVMLFIE-UHFFFAOYSA-N 280.412 3.637 30 20 CHED C=C[C@H](C)ONC(=O)[C@@H](CC)Oc1ccccc1C(C)C 846543875 CVPGHQHXHJRAQH-DZGCQCFKSA-N 291.391 3.590 30 20 CHED C=C[C@H](C)ONC(=O)c1ccccc1NC1CCCCC1 846552921 SNTVELNTFZTHCZ-ZDUSSCGKSA-N 288.391 3.667 30 20 CHED N#Cc1ncccc1S[C@@H]1CCc2ccccc2C1 848438107 HCXGMDIBSRCLAQ-CQSZACIVSA-N 266.369 3.603 30 20 CHED CC(C)(C)SCCOC(=O)CC1(C#N)CCCCC1 850839621 WSYIVKCFHOXSJR-UHFFFAOYSA-N 283.437 3.925 30 20 CHED CSCC(C)(C)COC(=O)c1ccc(C#N)c(Cl)c1 851171417 QWZVSNYJWRXKTF-UHFFFAOYSA-N 297.807 3.758 30 20 CHED C=C[C@H](OC(=O)[C@@H](OC)[C@H](C)CC)c1ccccc1 851451386 GXBJQPSARRMFSY-SNPRPXQTSA-N 262.349 3.518 30 20 CHED COC(=O)c1cc(NN=C(C)CC(C)(C)C#N)ccc1C 853348684 MAFXPDXBZJYBSM-UHFFFAOYSA-N 287.363 3.509 30 20 CHED FCC[C@H]1CCCC1=NNc1ccnc(Cl)c1 853394872 BOHCACYGNVIJIH-SECBINFHSA-N 255.724 3.663 30 20 CHED CC(=NNc1ccc(Cl)cn1)c1coc(C(C)C)n1 853438033 YOGDAXUVMBONHZ-UHFFFAOYSA-N 278.743 3.683 30 20 CHED C[C@H](CC(=O)N(c1ccc(C#N)cc1)C1CCC1)C1CC1 857675862 ATEHMEKBEQVSIM-CYBMUJFWSA-N 282.387 3.880 30 20 CHED C=C1CCN(C(=O)Nc2cccc(F)c2Cl)CC1 864252926 KMEFQGKMEQFBCE-UHFFFAOYSA-N 268.719 3.663 30 20 CHED CC(C)(CCC#N)CNc1nc2ccccc2nc1F 865809994 HMYPLQSMWDRNQY-UHFFFAOYSA-N 272.327 3.511 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2csc(CC)n2)CC1 888921726 GEXMHCTWQWSUEL-NSHDSACASA-N 278.421 3.629 30 20 CHED CC(C)[C@@H](Nc1ccc(Cl)cc1C#N)c1cnn(C)c1 896429547 QPGZSRJZFMUBSK-OAHLLOKOSA-N 288.782 3.754 30 20 CHED C=C1CC(c2noc(-c3ccnn3C(CC)CC)n2)C1 896884288 ZFCKUCCIJSNCLV-UHFFFAOYSA-N 272.352 3.728 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C(=O)O)c1ccc(OC)cc1 901649070 RRGAJVLTHPEFCR-CJNGLKHVSA-N 291.391 3.545 30 20 CHED CC(C)c1cccc(OCc2cc(C#N)ccn2)c1 902690578 RDJKZDRNMSJUJO-UHFFFAOYSA-N 252.317 3.656 30 20 CHED CC[C@@H](NCC1(C#N)CC1)c1cc(Cl)ccc1OC 903106893 YCIGGDFGORKVNU-CYBMUJFWSA-N 278.783 3.693 30 20 CHED Cc1cc([C@H](C)/N=C/c2cccc(O)c2O)c(C)s1 914701936 SFXDPLQAERAPCY-MDKXCRPYSA-N 275.373 3.956 30 20 CHED COc1ccc(CNN=Cc2ccc(SC)cc2)cc1 917547446 QUKCRCONQCSKEH-UHFFFAOYSA-N 286.400 3.541 30 20 CHED CC[C@@H](C#N)Sc1nc2cc(F)ccc2s1 918884655 XLPZALIOTKTXPJ-QMMMGPOBSA-N 252.339 3.830 30 20 CHED CCCCCCCOC(=O)c1ccccc1[S@@](=O)CC 919032899 HLKRRAVAVIUHCY-FQEVSTJZSA-N 296.432 3.941 30 20 CHED Fc1c(Cl)cccc1NN=Cc1cccc2c1OCO2 921137831 NRDPFMMHRCJRQD-UHFFFAOYSA-N 292.697 3.654 30 20 CHED Cc1ncoc1-c1ccc(NC(=O)CC(C)(C)C#N)cc1 928820570 ZMFOGEBRYAZEBK-UHFFFAOYSA-N 283.331 3.528 30 20 CHED C[C@H]1SCCN(CCCCC2(C#N)CCC2)[C@@H]1C 929674099 BXJSYVSVSCQIGU-ZIAGYGMSSA-N 266.454 3.676 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 934804380 QOIFZOPLUMNEGM-QWHCGFSZSA-N 291.366 3.506 30 20 CHED C=C(CC)CN1CCO[C@H](c2ccc(Cl)s2)C1 1116462374 SQEUFHZKXIFDLZ-NSHDSACASA-N 271.813 3.741 30 20 CHED C=C(C)CCC(=O)Nc1ccc2c(c1)CCCC2=O 1121097431 WDFXBJWAAHWPMK-UHFFFAOYSA-N 257.333 3.500 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1cccc(F)c1C#N 1136791501 VEMOSYJRLPIQBL-QWHCGFSZSA-N 288.366 3.644 30 20 CHED C=C(CNC(=O)N1CCC[C@@H]1CCC)c1ccccc1 1229643504 OAYPRCWPKQFBRR-INIZCTEOSA-N 272.392 3.674 30 20 CHED CCOc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)cc1 1252050040 JJWCBSPTTCYWQI-UHFFFAOYSA-N 291.310 3.674 30 20 CHED Cc1ccc2c(c1)CN([C@@H](C)c1cccc(C#N)c1)CC2 1307911519 CTYPMPKLTWRQGD-HNNXBMFYSA-N 276.383 3.986 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCNc2ccccc2)c1 1318244952 KUUGAQMCJHZXIU-UHFFFAOYSA-N 292.382 3.523 30 20 CHED CCCCCN(C(=O)c1csc(C#N)c1)C(C)C 1324351356 FQTUCIDBRPMIDB-UHFFFAOYSA-N 264.394 3.661 30 20 CHED N#Cc1ccc(CNCc2cccc(C(F)F)c2)s1 1326044378 HMFLRNXLMUJZMW-UHFFFAOYSA-N 278.327 3.847 30 20 CHED C=CCCCCCCN[C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 1326287449 UARUBSRFDMDYFY-BBWFWOEESA-N 290.455 3.734 30 20 CHED C#CC[C@H](CCOC)NCc1ccc(C(F)(F)F)cc1C 1328716214 GUJBVUYIOZZTNH-OAHLLOKOSA-N 299.336 3.532 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1331720185 PTBLVCRXVKICPK-ZWNOBZJWSA-N 290.234 3.631 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cc(O)cc(O)c1 1341077770 PZRURTZMSNFRPU-UHFFFAOYSA-N 290.750 3.896 30 20 CHED N#C[C@@H](C(=O)c1ccc2ccccc2c1)c1cccc(F)n1 1344007258 YPYWCYOHJLSCGF-OAHLLOKOSA-N 290.297 3.864 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccccc1CC#N 1344360748 FAAKZLXIAANIOH-CRAIPNDOSA-N 298.430 3.628 30 20 CHED C=C(CC(C)C)C(=O)Nc1cn(C)nc1-c1ccccc1 1347115420 GVNQEAQSPBWJLA-UHFFFAOYSA-N 283.375 3.628 30 20 CHED CCC(C#N)(CC)C(=O)OCCCSC(C)(C)C 1357700064 CHODAFBRNOXWHI-UHFFFAOYSA-N 271.426 3.781 30 20 CHED Cc1cccc(N(C)C(=O)Nc2ccc(F)cc2C#N)c1 1465801110 HTTUDCXLXWMSNC-UHFFFAOYSA-N 283.306 3.674 30 20 CHED C[C@H]1CCCC[C@H]1CNc1c(C#N)cccc1C#N 1472678014 ACKJMHYWWYJDCK-WFASDCNBSA-N 253.349 3.668 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1Cc1ccc(C#N)cc1OC 1473245468 RVOJKZYVTAIQTC-RHSMWYFYSA-N 286.419 3.967 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(C#N)ccc1F 1516965644 YMFIKXQQRTTXAE-CZUORRHYSA-N 288.366 3.738 30 20 CHED C=C(CC)C(=O)Nc1cc(C)c(OC)cc1Cl 1528416482 FPTIQCCPJXFFNZ-UHFFFAOYSA-N 253.729 3.562 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)oc2C)ccc1Cl 1530589270 VCONHPQKIOIOPH-UHFFFAOYSA-N 274.707 3.674 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1534067847 KOADTZLTEAAIPC-DGCLKSJQSA-N 296.374 3.589 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)c2cc(C#N)ccn2)CC(C)(C)C1 1538743019 BYOMHBLLSGXIDZ-ZIAGYGMSSA-N 299.418 3.536 30 20 CHED CC(C)C1CCC(CNC(=O)c2ccccc2CC#N)CC1 1545542832 FPZFPYWTJFKCKF-UHFFFAOYSA-N 298.430 3.945 30 20 CHED Cc1cc(CN(C)[C@@H](C)Cc2cccs2)ccc1C#N 1560663282 IXPIMIVYJHVSDH-AWEZNQCLSA-N 284.428 3.991 30 20 CHED C=CCCCCCNC1(C(=O)O)CCC(CC)CC1 1588799952 RTNQWRWCAOVJQL-UHFFFAOYSA-N 267.413 3.746 30 20 CHED C=C(Cn1c(C)nnc1N1CCC[C@@H](C)C1)c1ccccc1 1593782505 PEAVIBSWNHNAJZ-CQSZACIVSA-N 296.418 3.536 30 20 CHED Cc1scc(COC(=O)c2csc(C#N)c2)c1C 1596993238 XFXDESDPWAOCPP-UHFFFAOYSA-N 277.370 3.655 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)c(C(=O)O)c2)CCCC1 1602849647 MASRJGDWGGDFEJ-UHFFFAOYSA-N 287.359 3.768 30 20 CHED CC(CCC(=O)O)=NNc1ccc(Cl)c(Cl)c1 1604129630 FHKXOKCQFRVSOO-UHFFFAOYSA-N 275.135 3.646 30 20 CHED Cc1ccc(S[C@H](C(=O)O)c2ccc(C#N)cc2)s1 1607821913 CRRHUCVIGBMFCN-ZDUSSCGKSA-N 289.381 3.846 30 20 CHED Cc1cc(C)c(/C=C\CN(C)C[C@H](C)C#N)c(C)c1 1663928893 BPKKYURGHYMCSP-LMVHVUTASA-N 256.393 3.717 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)[C@H]1CCCC[C@@H]1C 1776037166 DMVXTOLMTCDFJG-NHYWBVRUSA-N 274.364 3.999 30 20 CHED CC(=NOC(C)(C)C)c1cc(C(=O)O)ccc1OC(C)C 1776051777 CGIYRRUBPLLLFW-UHFFFAOYSA-N 293.363 3.711 30 20 CHED C[C@@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)[C@H](C)C1 1776074534 GIJABZMOTPMKNK-NXEZZACHSA-N 278.327 3.748 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C(=O)O)c1ccsc1 1776180852 XOOZMVYSXDHXRR-OAHLLOKOSA-N 287.384 3.562 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1cc2ccccc2o1 3621146 WVOQGOGCKZWBES-UHFFFAOYSA-N 293.278 3.532 30 20 CHED C=CCN(CCCC#N)Cc1ccc(Cl)s1 52892236 VJUBVRMSLWIIHR-UHFFFAOYSA-N 254.786 3.693 30 20 CHED C[C@H](NC(=O)c1sccc1C#N)c1cc2ccccc2o1 52029190 VVPVFJZZBMMUDB-JTQLQIEISA-N 296.351 3.857 30 20 CHED Cc1cccc2c(CCC(=O)O[C@@H]3CC[C@H](C#N)C3)c[nH]c12 179872662 XPLQXHQSXLXPLX-DZGCQCFKSA-N 296.370 3.644 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 227360492 ZFKLORJOGCMQQY-NWDGAFQWSA-N 264.369 3.783 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 116856052 DAIFIRRTRKRUMR-CYZMBNFOSA-N 297.320 3.890 30 20 CHED C=CCCCC(=O)N[C@H]1CCC[C@H](SCC)C1 176758694 IBLRXBLRAAERFW-STQMWFEESA-N 255.427 3.523 30 20 CHED C=C(Cl)CN1CCSC[C@@H]1c1ccccc1 115740348 GAQPEEXRIKYUAC-CYBMUJFWSA-N 253.798 3.529 30 20 CHED Cc1cccc(NC(=O)Nc2ccc(F)c(C#N)c2)c1C 113565508 ZRGOBQWQUOSPRE-UHFFFAOYSA-N 283.306 3.958 30 20 CHED C=CCOc1ccccc1C(=O)NCc1sccc1C 25722987 VXZVPABKLDBEMM-UHFFFAOYSA-N 287.384 3.551 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc(F)cc2Cl)CC1 177907051 MYNRFXDWOMQLCU-GFCCVEGCSA-N 296.817 3.780 30 20 CHED CCC1(CC)CCCN(CCCSCC#N)CC1 346491059 OEULCLWESRQBOE-UHFFFAOYSA-N 268.470 3.926 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCc2cccc(OCC#N)c2)o1 113346865 AXCBHCZUKXRTIE-GUYCJALGSA-N 296.370 3.595 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)c1ccccn1)c1ccccc1 179336819 NCJPNCZTBLHOSX-LSDHHAIUSA-N 280.371 3.619 30 20 CHED Cc1ccccc1C(=O)CSc1cccc(C#N)c1 177103105 MBAUXIRQCHYWEX-UHFFFAOYSA-N 267.353 3.842 30 20 CHED Cc1ncccc1C(=O)Nc1ccccc1SCCC#N 170971072 VPKVSRQOGHSOCS-UHFFFAOYSA-N 297.383 3.648 30 20 CHED C=C(Br)CN[C@H]1CCC[C@@H](C(F)(F)F)C1 136131323 JYENZQVDJRFHHW-BDAKNGLRSA-N 286.135 3.606 30 20 CHED Cc1csc(C2(NCc3ccccc3C#N)CCCC2)n1 175017281 PUMOSVGHAXZGKS-UHFFFAOYSA-N 297.427 3.882 30 20 CHED CC(C)(C)CCCCNC(=O)c1cccc(CC#N)c1 171520423 WAQQHGRKAUKGGA-UHFFFAOYSA-N 272.392 3.699 30 20 CHED N#Cc1ccc(NC[C@H]2CCC(F)(F)C2)c(F)c1 305899355 CBNNSARCTLQIIE-JTQLQIEISA-N 254.255 3.545 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 60342002 ZNDOTZYMWJUFAV-ONOODXEBSA-N 284.403 3.806 30 20 CHED C=CCOc1ccc(CNc2ccc(C)cn2)cc1OC 121603573 UMWGMNNOAPGDSQ-UHFFFAOYSA-N 284.359 3.576 30 20 CHED C[C@H](C1CCC1)N(C)c1ccc(C(F)(F)F)c(C#N)n1 409729220 CIAQRWVAQPRIOG-SECBINFHSA-N 283.297 3.597 30 20 CHED N#Cc1ccccc1Oc1ccc(NC(=O)C2CC2)cc1F 173536711 HWVKRPXTSMNUMI-UHFFFAOYSA-N 296.301 3.838 30 20 CHED N#CCCCOC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 171227080 KNRMUGMLNBNDLY-UHFFFAOYSA-N 297.276 3.584 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1-c1nnc(C)o1 179795276 ADYWRYGUWLDGRQ-LBPRGKRZSA-N 299.374 3.520 30 20 CHED C[C@@H]1CCC[C@H](N(C)c2nccc(C#N)c2Cl)C1 300264494 APLSFMFTYCLQMD-PWSUYJOCSA-N 263.772 3.622 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCC(C)C 303453905 LOXFKKWPZIEKBT-UHFFFAOYSA-N 266.429 3.810 30 20 CHED N#Cc1cccc(C#N)c1NCc1ccc(Cl)s1 302765640 ABDKMCDSSDDTSM-UHFFFAOYSA-N 273.748 3.757 30 20 CHED CC(=O)c1ccc(C#N)c(NCCc2cccc(C)c2)c1 302089058 GBLLMOFMPWPOSB-UHFFFAOYSA-N 278.355 3.724 30 20 CHED C=CCC[C@@H](C)Nc1ccc(OCc2noc(C)n2)cc1 186450210 HBWSFKFLMRIBEV-GFCCVEGCSA-N 287.363 3.724 30 20 CHED CCCCc1noc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)n1 127505486 PFZIHURRXDPBNW-CHWSQXEVSA-N 298.390 3.696 30 20 CHED N#Cc1cccc(CN(C2CCC2)C2CCC2)c1F 429154274 ZNZAGHRXJZSOMJ-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)[C@@H](C)CC)c1ccccc1 187103199 JBISDSNSKIKQTD-DZKIICNBSA-N 259.393 3.897 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)COc2ccccc21 211829079 PVSHGANRYLGTFZ-NTMALXAHSA-N 272.250 3.624 30 20 CHED CSCC[C@H](C)N(C)CCC1(C#N)CCCCC1 411372760 FRZRTYFZZNROLN-AWEZNQCLSA-N 268.470 3.924 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 185623929 WBFQXDBYLJMWSU-DLBZAZTESA-N 283.415 3.893 30 20 CHED C#C[C@@H](CCC)NC(=O)c1c(Cl)cccc1Cl 233294244 BEHXGHABNHFDIH-VIFPVBQESA-N 270.159 3.525 30 20 CHED C=CCC1(C(=O)N2CCC(OC3CCC3)CC2)CCCC1 416266426 MORXTPFDCADRAX-UHFFFAOYSA-N 291.435 3.683 30 20 CHED N#Cc1ccc(Oc2ccc(F)c(Br)c2)nc1 124601482 DTGOKCBFVQAMIT-UHFFFAOYSA-N 293.095 3.647 30 20 CHED CC1(C)CC(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 505602049 KZOZODXWAIBDAB-UHFFFAOYSA-N 270.376 3.862 30 20 CHED C=CC[C@H](CC)NC(=O)CCCOc1ccc(C)cc1C 410125131 YZYQBQZBWXLRKI-INIZCTEOSA-N 289.419 3.933 30 20 CHED C=C(C)CCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 502601035 ORSDSFXJNCIDRG-MRXNPFEDSA-N 279.811 3.597 30 20 CHED COc1cc2ccccc2cc1CNCC1(C#N)CCC1 418137116 DCXREXFEEBZXDM-UHFFFAOYSA-N 280.371 3.632 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccccc2Cl)n1C 126986424 KULNLTCEVFKTGI-VIFPVBQESA-N 292.795 3.530 30 20 CHED C=CC[C@H](CC)NC(=O)CCCc1ccc(C)s1 410128127 QAOQHWGMQHRGPA-ZDUSSCGKSA-N 265.422 3.850 30 20 CHED C[C@@]1(C#N)CCCN(CCSc2ccccc2F)C1 612161754 DNSNJQGGRFPDFS-HNNXBMFYSA-N 278.396 3.543 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccccc1C#N 72901171 OQNLSXZCQDDMRP-CYBMUJFWSA-N 262.422 3.522 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@@H](c2ccccc2)C1 120733951 MOSMLDWZUUTALX-QGZVFWFLSA-N 292.382 3.556 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C 182358129 HZDQYINNRCXEPK-HNNXBMFYSA-N 274.408 3.991 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2ccc(F)cc2C1 187690507 AQHBHWBEMQRVEK-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2scnc2C2CCCC2)C1 185312915 CCGIAZXIFYFCOR-PWSUYJOCSA-N 290.388 3.650 30 20 CHED N#Cc1cnc(N2CC[C@H]2c2cccc(F)c2)c(Cl)c1 610282458 YFAOFBZJWZDBRJ-AWEZNQCLSA-N 287.725 3.697 30 20 CHED C=CCOc1ccccc1C(=O)N(CC)CCCC 45055340 YXNQESOVQCDVHO-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OCCCC)c(OC)c1 180468761 YRHQGCOKKXCVIF-UHFFFAOYSA-N 291.391 3.522 30 20 CHED C[C@H](C#N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 334394801 BBMFOJAVJMMFBX-RKDXNWHRSA-N 285.174 3.672 30 20 CHED N#CC1(C(=O)Nc2ccc(Cl)cc2)CCCCC1 44385125 HEAJXJPGMNLMPU-UHFFFAOYSA-N 262.740 3.753 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2coc(-c3ccccc3)n2)C1 185844000 MQEANFGYAIWJIR-DZGCQCFKSA-N 281.359 3.514 30 20 CHED C=CCN(C(=O)c1csc(C2CCCCC2)n1)C1CC1 412226160 HRIJYUBYYSUQNX-UHFFFAOYSA-N 290.432 3.981 30 20 CHED C[C@H](Nc1cnn([C@H](C)C2CC2)c1)c1ccc(C#N)cc1 187492958 JXVYEJAQBCUPHR-QWHCGFSZSA-N 280.375 3.899 30 20 CHED C=C[C@@H](CC(=O)Nc1ccnc(C)c1)c1ccccc1 134395372 VIAFIOOIUVKJCC-AWEZNQCLSA-N 266.344 3.688 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(F)cc1F 45935037 NLXQVOQQHONVRF-UHFFFAOYSA-N 287.309 3.793 30 20 CHED C=C(C)CCSc1nc(-c2ccc(OC)cc2)n[nH]1 505432741 LFDGOTDJYUYNDN-UHFFFAOYSA-N 275.377 3.539 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 612235468 AOACGEKKVFJQHT-CQSZACIVSA-N 297.185 3.759 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCCc2c(O)cccc21 190991439 UVSMWZRNCYYOJA-CJNGLKHVSA-N 287.403 3.673 30 20 CHED CC(C)c1ccc(/C=C\c2nc(C(=O)O)ccc2C#N)cc1 505481587 UYNYIZQWSFEQQV-UITAMQMPSA-N 292.338 3.945 30 20 CHED C=CCSCCNC(=O)[C@H](c1ccccc1)[C@@H](C)CC 508884160 XWTTWIHBLANRQR-HOCLYGCPSA-N 291.460 3.852 30 20 CHED C=C(C)[C@@H](N[C@@H](C)COC(C)C)c1ccc(F)c(F)c1 500405245 SLWKRFGYMLZUHV-BLLLJJGKSA-N 283.362 3.985 30 20 CHED C[C@@H]1CCC[C@H](C/C(O)=N/Cc2nc3cccnc3[nH]2)C1 328778204 TVCNYPKARGCLBH-NEPJUHHUSA-N 286.379 3.631 30 20 CHED N#CCCCCNCc1cnc(-c2cccs2)s1 83455221 GMXXRRGVMSRRNP-UHFFFAOYSA-N 277.418 3.655 30 20 CHED C=C[C@@H]1OCC[C@H]1CNC1CC(c2ccccc2Cl)C1 425360222 WZPJRXDKCDXAPH-VWLISTAJSA-N 291.822 3.767 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)s1 225784311 BKURTSCOQTYMQL-UHFFFAOYSA-N 276.748 3.834 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(F)c(Cl)c1 160196144 SNKXDUWFUBXZFX-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=C(C)COc1cccc(NC(=O)C[C@H]2CCCCO2)c1 87235872 QQSPIEFPVHAEQM-MRXNPFEDSA-N 289.375 3.539 30 20 CHED CC1(C/N=C(/O)N[C@@H]2CCOC3(CCC3)C2)CCCCC1 329638823 ZAXHVUQSKXOUCR-CQSZACIVSA-N 294.439 3.562 30 20 CHED C=CCCCCN[C@H](C)c1ccc(Br)nc1 290603356 HKSWAZBQVCMZKG-LLVKDONJSA-N 283.213 3.851 30 20 CHED C[C@@H](c1ccc(Cl)cc1)N1CCC(F)(C#N)CC1 510937924 YKLITBDPZOXZLQ-NSHDSACASA-N 266.747 3.729 30 20 CHED Cc1ncc(N=C(O)CC[C@H]2CCCCO2)c(C2CC2)n1 328779184 MAVOHWSHXOZDJA-CYBMUJFWSA-N 289.379 3.600 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(OC)c1 47726407 LOQGSTYVKQPCDX-UHFFFAOYSA-N 294.398 3.979 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C(C)(C)CC(C)C 84538743 FBKVSVBFPKSCMO-UHFFFAOYSA-N 258.365 3.878 30 20 CHED Cn1ccc2cccc(NCc3ccccc3C#N)c21 190794876 GYBLATQRYPLCPB-UHFFFAOYSA-N 261.328 3.662 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(-c2ccccc2)nc1O 337106236 ZTJIXHGTJMXZMA-CQSZACIVSA-N 296.370 3.539 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1cc2ccccc2o1 192768104 WFIWVRZJUONRAF-BQYQJAHWSA-N 267.284 3.934 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H](c1ccccc1)C1CCCC1 80073586 GJTPYJDPTAEONK-PBHICJAKSA-N 299.418 3.719 30 20 CHED C[C@H](N[C@H]1CCCc2occc21)c1ccc(OCC#N)cc1 192955799 WWFDKLUPKHUWLX-GUYCJALGSA-N 296.370 3.910 30 20 CHED Cn1cc(CN[C@H](c2ccccc2)C2CCCC2)cc1C#N 190900707 KGHPYKRJQKCGCZ-LJQANCHMSA-N 293.414 3.918 30 20 CHED C=CC[C@H](C)N[C@H](C)CCc1c(F)cccc1F 510724592 YSEOGIWDCQZACP-NWDGAFQWSA-N 253.336 3.840 30 20 CHED C=CCC1(C(=O)N[C@H](C)CCc2ccccc2)CCC1 190358405 VBFMLLJQHYWRLS-OAHLLOKOSA-N 271.404 3.870 30 20 CHED C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(C2CC2)cc1 516553839 MVGPJKIURMXYAA-CYBMUJFWSA-N 297.402 3.570 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)[C@@H]1C[C@H]1c1ccccc1 421888023 SZQSSZPRGQGRGV-DQYPLSBCSA-N 282.412 3.902 30 20 CHED CC(C)c1ccc([C@H](NC(=O)[C@@H](C)C#N)C(C)C)cc1 510338200 DGBOCCZOKNTKSB-XJKSGUPXSA-N 272.392 3.783 30 20 CHED CCCn1nc(C)c(CN(CCC#N)CCC(C)C)c1C 93100789 DABNIFHXFLVNAM-UHFFFAOYSA-N 290.455 3.672 30 20 CHED N#Cc1cnc(NCCc2c(F)cccc2F)c(Cl)c1 339135911 WYUMMJGYUWOPFH-UHFFFAOYSA-N 293.704 3.539 30 20 CHED COc1ccc(F)cc1CN(C)[C@@H](C)c1cccc(C#N)c1 425365312 KCRMUWCISUZJTH-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C=CC1CCN(C(=O)Nc2scnc2C(C)C)CC1 334581497 RLAVKLSJOUNETC-UHFFFAOYSA-N 279.409 3.696 30 20 CHED Cc1cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)no1 336337129 JVFCFLUWISKMIX-BLLLJJGKSA-N 281.359 3.583 30 20 CHED C[C@@H](c1cc(F)ccc1F)N1CCC(CC#N)CC1 334329220 NNTOVSFPHZYTJP-NSHDSACASA-N 264.319 3.651 30 20 CHED C[C@H](CC/N=C(/O)N[C@@H]1CCO[C@@H](C)C1)CC(C)(C)C 331262840 DWDINULKCWRXSP-HZSPNIEDSA-N 284.444 3.520 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(C(C)C)nc1C 338506307 OSMAORVADOYYBR-UHFFFAOYSA-N 296.370 3.973 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)CC(C)C 435521362 WIEBSKMBFVFPNC-UHFFFAOYSA-N 254.418 3.666 30 20 CHED Cc1c(Br)cccc1NCC1(CC#N)CC1 232241667 SZTADFBHIIKXQM-UHFFFAOYSA-N 279.181 3.863 30 20 CHED C=CCn1c(C)cc(C(=O)COc2ccccc2)c1C 338279955 RKSOEMVSBSYZKC-UHFFFAOYSA-N 269.344 3.553 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)NCC2(CC#N)CC2)CC1 430919777 RXBNAMLQHYBRIE-GJZGRUSLSA-N 291.439 3.584 30 20 CHED C=C(C)[C@@H](NCC[C@@H]1CCOC1)c1ccc(F)c(F)c1 437985944 LESGADCIXPCOQG-MLGOLLRUSA-N 281.346 3.598 30 20 CHED C=C(C)[C@H](CC(=O)N1C[C@H]2CC[C@H]1c1ccccc12)OCC 338492946 ACHODDPLSVULMS-JLSDUUJJSA-N 299.414 3.819 30 20 CHED C=CC1CCN(c2nc(C)nc3sc4c(c23)CCC4)CC1 520332025 VHGUMRBRLJVBIW-UHFFFAOYSA-N 299.443 3.891 30 20 CHED C=CCC[C@@H](NC(=O)c1ccncc1F)c1ccccc1 435277869 DTNKNBXTTABHKO-MRXNPFEDSA-N 284.334 3.658 30 20 CHED C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(C#N)c1 245654715 CWISCLWLVAJZPC-OKDNKWQNSA-N 296.414 3.557 30 20 CHED C[C@H]1[C@H](C)CCN1Cc1ccccc1C(C)(C)C#N 246784787 IOPVIPMOVSCPGG-KGLIPLIRSA-N 256.393 3.718 30 20 CHED N#CC[C@@H](Cc1nc(CCC2CC2)no1)c1ccccc1 346787751 CJYPMOJPOYKSSL-HNNXBMFYSA-N 281.359 3.652 30 20 CHED C=C1CCN(C(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 528430421 NOJHVVJZRPCDLP-UHFFFAOYSA-N 283.293 3.806 30 20 CHED C=CCCN(C)C(=O)CCCc1cc(C)sc1C 342487682 JRDHIILBJDUCLS-UHFFFAOYSA-N 265.422 3.722 30 20 CHED Cc1ccnc(N(C)Cc2ccc(C#N)cc2)c1Cl 341740217 DPRJYAYTXFLVFZ-UHFFFAOYSA-N 271.751 3.552 30 20 CHED Cc1cc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cs1 603147769 ANZYFUMFGBHWHF-OAHLLOKOSA-N 297.383 3.737 30 20 CHED COc1cccc([C@H]2C[C@H](C)CN2CC2(CC#N)CC2)c1 602803821 GGRKOUMNWVNKES-WMLDXEAASA-N 284.403 3.772 30 20 CHED C[C@H](CCc1c[nH]c2ccccc12)NCC1(C#N)CCC1 602696778 GGPNMPPXQVSWPU-CQSZACIVSA-N 281.403 3.772 30 20 CHED Cc1cc(NC[C@H]2SCCc3ccccc32)cc(C#N)n1 342775826 AUYXHNIRDHCBHP-QGZVFWFLSA-N 295.411 3.704 30 20 CHED Cc1nc2ccc(C(=O)NC3(C#N)CCCCC3)cc2s1 431597896 VWSYEFUWKGUSIR-UHFFFAOYSA-N 299.399 3.561 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2cc(O)cc(O)c2)c1 255713648 LQLJEUCYMFKLHC-SREVYHEPSA-N 298.338 3.783 30 20 CHED C=CCSCCNc1nccc(Oc2ccccc2)n1 432820023 QEIRXXMUGJUOGA-UHFFFAOYSA-N 287.388 3.600 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 341019896 XABHQUMWFATVID-LRDDRELGSA-N 288.366 3.738 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccc3ccccc3n2)cc1 254439716 XRGFMCDILMNYRT-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C=CCn1cccc1-c1nc(COc2ccccc2C)no1 346790623 JXHZPFQUIRYARS-UHFFFAOYSA-N 295.342 3.612 30 20 CHED C=CCOc1cccc(CNC(=O)Nc2ccccc2)c1 435800350 PHOHMDUFVXSGST-UHFFFAOYSA-N 282.343 3.573 30 20 CHED Cc1ncc(Br)cc1NC[C@H](C)CCC#N 602684525 GVUAOEAGHGQZSA-SECBINFHSA-N 282.185 3.504 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)C1CCC=CCC1 602097648 OVLJZDMHZDVZQW-IBGZPJMESA-N 296.414 3.764 30 20 CHED Fc1cccc(C=NNc2nc3ccccc3s2)c1 254295179 ZRULDEIMPHJRAG-UHFFFAOYSA-N 271.320 3.881 30 20 CHED N#Cc1cccc(NC(=O)C[C@H]2C[C@H]2c2ccccc2)c1 340719103 CFDICLLYCJIDNY-WBVHZDCISA-N 276.339 3.691 30 20 CHED C[C@@]1(C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]2CC[C@H]1C2 602289773 SJMQPTCJVJGNST-KNHMANMVSA-N 288.778 3.976 30 20 CHED N#CC[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 600177266 JDFYREIWMJEDHO-CQSZACIVSA-N 296.336 3.874 30 20 CHED N#CCN(CCCc1cccc2ccccc12)C1CC1 609894436 JJUVEFZBUJNXRZ-UHFFFAOYSA-N 264.372 3.760 30 20 CHED C=CCn1cccc1C(=O)NCc1ccc2sccc2c1 356691025 XUWOURJXUVCKQI-UHFFFAOYSA-N 296.395 3.819 30 20 CHED N#CCCCOc1cccc(CNCC2(C(F)F)CC2)c1 355154799 PEDJJXLVZRFGRQ-UHFFFAOYSA-N 294.345 3.504 30 20 CHED CC[C@H](C)n1ncc(NCc2cccc(C#N)n2)c1C1CC1 602584332 ZGIUADXCGJWCSR-LBPRGKRZSA-N 295.390 3.610 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2OC)CC1 356192075 NAIJJWWNHKPBBI-WMZOPIPTSA-N 299.414 3.588 30 20 CHED Cc1cc(NC(=O)[C@@H](C#N)CCc2ccccc2)cs1 601875290 BMEBJTHQDZHSOE-CQSZACIVSA-N 284.384 3.768 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H](F)C1 357706538 PJESGODTRALCMH-LBPRGKRZSA-N 289.741 3.698 30 20 CHED Cc1ccc(CN(C)CC#Cc2ccc(F)cc2)cc1 446765682 OWIXTXNTUOFWCS-UHFFFAOYSA-N 267.347 3.618 30 20 CHED C=CC[C@H](C)NC(=O)CCCSc1ccc(OC)cc1 440446266 MMTLMYGNUDUJDJ-ZDUSSCGKSA-N 293.432 3.648 30 20 CHED C=CCC1(C(=O)Nc2nnc(SCC)s2)CCCC1 449229009 XTHPEYATCBRURE-UHFFFAOYSA-N 297.449 3.725 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCO[C@H](C(C)(C)C)C1 537964576 VTXIPYRWRVLTGR-XQLPTFJDSA-N 253.430 3.770 30 20 CHED Cc1ccccc1NC(=O)CCSc1ccc(C#N)cc1 532272385 OTMIZQVTGWFZRT-UHFFFAOYSA-N 296.395 3.988 30 20 CHED C=CCNC(=O)Nc1cc(C)ccc1OCc1ccccc1 442430290 AQTQZFKWGPQRMU-UHFFFAOYSA-N 296.370 3.882 30 20 CHED Cc1cccc(Cl)c1NC(=O)N1CCC(F)(C#N)CC1 351143221 KGTUPZMDBAXNSL-UHFFFAOYSA-N 295.745 3.508 30 20 CHED Cc1c([C@@H](C)NC(=O)C2(C#N)CC(C)C2)oc2ccccc12 531754533 BHTODRGJQOXMEN-NOBQPIJMSA-N 296.370 3.858 30 20 CHED C=CCCCC[C@H](C)NCCc1ccc(NC(C)=O)cc1 449122887 ASAZFZPKVXYHAC-HNNXBMFYSA-N 288.435 3.912 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@H](C)CCC)c1ccccc1 535373806 ZBWJIBHWAJVJLQ-CABCVRRESA-N 259.393 3.993 30 20 CHED Cc1nc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cs1 618804902 MYEFPTFQIWSOFE-BONVTDFDSA-N 283.400 3.661 30 20 CHED C=CCCCC[C@@H](C)NCc1oc(CC)nc1C 449341101 RSPQHOQBIVTIJD-GFCCVEGCSA-N 250.386 3.770 30 20 CHED CC[C@H]1CC[C@H](C(=O)NC2(c3cccc(C#N)c3)CC2)CC1 615201913 OQMZJVKSXWZXPH-KOMQPUFPSA-N 296.414 3.880 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3)n2)C1 617783856 ILJAQFIHPORTOX-CQSZACIVSA-N 296.370 3.770 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C)C[C@H]1CC)c1ccccc1 536202880 FIZQDSNLZGKBHG-ZMSDIMECSA-N 271.404 3.993 30 20 CHED Cc1cc(CSCc2nc(C3CC3)no2)ccc1C#N 447418718 RSBUFUYPSSXJQO-UHFFFAOYSA-N 285.372 3.561 30 20 CHED COC(=O)c1cccc(CSCCC(C)C)c1C#N 534401228 PFWCBPJMXNFZDM-UHFFFAOYSA-N 277.389 3.624 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@H](C)C1CCC1 357020990 PDYTYHGBNHFQNV-GFCCVEGCSA-N 271.364 3.519 30 20 CHED C=CCCNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 617611012 IVILLYJARRGDBF-JTQLQIEISA-N 271.282 3.658 30 20 CHED C=CC1CCN(C(=O)Cc2cc3ccccc3s2)CC1 448958619 ZDWMJSXXIKTBTO-UHFFFAOYSA-N 285.412 3.868 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)[C@@]3(C#N)C[C@@H]3C)ccc21 448806863 WPRGRGPYDJQACX-SCLBCKFNSA-N 295.386 3.786 30 20 CHED Cc1cc(CN[C@H]2CCO[C@H](CC(C)C)C2)ccc1C#N 444000888 IZESFNNXDMJEOB-ZWKOTPCHSA-N 286.419 3.550 30 20 CHED CC(C)c1occc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 619506329 BJGRAKLSZZLLHC-MRXNPFEDSA-N 294.354 3.692 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccccc2OCC2CC2)C1 442852252 HEFZKGRXNDOYSD-UONOGXRCSA-N 256.349 3.580 30 20 CHED C[C@H](CC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 610361333 ZTEKMZACWZNZMH-HUUCEWRRSA-N 292.382 3.929 30 20 CHED Cc1ccc(Oc2ccc(NC(=O)[C@@H](C)C#N)cc2)cc1 531049133 ASWBMRVGUGJDGF-ZDUSSCGKSA-N 280.327 3.886 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(CC(C)C)c[nH]2)C1 617777836 XYLSKQQJUDRARN-AWEZNQCLSA-N 274.408 3.642 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1oc(SC)cc1C 613274410 CYUKMSKGQWMCKQ-LLVKDONJSA-N 267.394 3.785 30 20 CHED C[C@@H](NCCC(C)(C)C#N)C(C)(C)c1ccccc1 537413333 JNZKXHHAMCPYAQ-CQSZACIVSA-N 258.409 3.882 30 20 CHED C=C(C)CCNC(=O)c1cnn(C(CC)CC)c1CC 452716384 HIXFFTWAYQBLGH-UHFFFAOYSA-N 277.412 3.503 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCSc2ccc(F)cc21 453354107 NAVRKCCJOVGELT-KFWWJZLASA-N 293.407 3.686 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 610356059 ICLGDKZVSHAGQQ-YOEHRIQHSA-N 299.418 3.839 30 20 CHED Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)ccc1C1CC1 360823009 TZAXJVNCLNQCJD-LBPRGKRZSA-N 271.364 3.638 30 20 CHED N#Cc1cccc(CNC2(Cc3ccccc3)CCC2)c1 532119875 LYOTWQGJUNYARV-UHFFFAOYSA-N 276.383 3.813 30 20 CHED CCC#C[C@H](C)Sc1nc(C(F)(F)F)ccc1C#N 614471963 MDVOGMNQPNVVTF-VIFPVBQESA-N 284.306 3.866 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc(C#N)cs1 611561497 RUEHTYSOQLFBDW-MWLCHTKSSA-N 288.338 3.783 30 20 CHED C=CCOc1ccc(C(=O)N(CC)[C@H](C)CC)cc1 616983958 YRTTZZDXYAUGPA-CYBMUJFWSA-N 261.365 3.512 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 455245159 NTLNDSLTEOVRCU-GARJFASQSA-N 297.185 3.515 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)c1cccc(F)c1C#N 452541964 MQIVMVIJJQEVNZ-LBPRGKRZSA-N 274.339 3.562 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc(-c2ccncc2)cc1 453350898 JYCZTTFYYYCZSK-HNAYVOBHSA-N 296.414 3.726 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC(C)C)cc1 453368566 UPBUJEHIKQVTIQ-OLMNPRSZSA-N 289.419 3.858 30 20 CHED Cc1cc(NC(=O)N(C)CC(C)(C)C#N)cc(C)c1Cl 455389569 SGLURYYNSOQVTK-UHFFFAOYSA-N 293.798 3.970 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1cccc(C)c1C 455313921 REXIIQOPWLPIKV-AWEZNQCLSA-N 260.381 3.630 30 20 CHED COc1ccc2oc(CN3CCC[C@@](C)(C#N)C3)cc2c1 612406449 MMEXDXWCMLXHQC-KRWDZBQOSA-N 284.359 3.567 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 455535764 BBSFIEXOLLKPED-LLVKDONJSA-N 282.334 3.633 30 20 CHED C=CCC1(CN[C@H](CC)c2cnn(C)c2)CCCC1 453381704 RUUDAQAFSKEVNX-OAHLLOKOSA-N 261.413 3.597 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OC(C)C)cc1F 454632471 CETDPVXVBJGQMG-UHFFFAOYSA-N 280.343 3.701 30 20 CHED C[C@@H](c1noc(-c2cccc(C#N)c2)n1)C(C)(C)C 544967615 GMUPZHYIBMXVKA-JTQLQIEISA-N 255.321 3.758 30 20 CHED COc1ccc([C@H](NCC2(C#N)CCC2)C(C)C)cc1 450663579 SCFPTTJLUPQZMR-MRXNPFEDSA-N 272.392 3.676 30 20 CHED C[C@H](c1noc(-c2ccc(C#N)cc2)n1)C(C)(C)C 547131033 NREQNGHDGCATQO-SNVBAGLBSA-N 255.321 3.758 30 20 CHED CCCCCCCC(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 279823365 DRSQCBLFPZWTCW-ZDUSSCGKSA-N 293.411 3.603 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C(F)(F)F)ccc1F 276189280 WTBRWNJXLLXMEK-UHFFFAOYSA-N 290.260 3.884 30 20 CHED C[C@H](CCN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 274209155 MZHBSBRGNQODRM-VYDXJSESSA-N 256.393 3.852 30 20 CHED C=CC(C)(C)CNC(=O)c1c(-c2ccccc2C)noc1C 452771548 AAZGILZBYWFARB-UHFFFAOYSA-N 298.386 3.900 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 541009898 VSQRWAZCEJYJKB-XHSDSOJGSA-N 281.440 3.689 30 20 CHED C=CCCCN1CC[C@](F)(c2ccccc2F)C1 549077958 UYDFUJDEKHWQPE-OAHLLOKOSA-N 251.320 3.662 30 20 CHED C[C@@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 274312347 IMCNJNKHXMPIMP-YVEFUNNKSA-N 290.382 3.764 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC)c1ccc(F)cc1F 276315090 VCNWTRYZNLLIKZ-AWEZNQCLSA-N 282.334 3.633 30 20 CHED N#Cc1nnc2ccccc2c1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 462900737 PNYUYSFQJAPTAS-BFHYXJOUSA-N 292.386 3.882 30 20 CHED Cc1nc(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)ccc1C#N 288688860 UJAIGAUSLDOZLG-WFASDCNBSA-N 299.418 3.549 30 20 CHED CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)C1CC1 287044210 FVVUFUJYOLBUED-UHFFFAOYSA-N 286.375 3.744 30 20 CHED C=C(C)CCc1noc(Cc2nc(-c3ccco3)oc2C)n1 285012176 DUZQIURJTAOMEU-UHFFFAOYSA-N 299.330 3.726 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(NCC3(C#N)CC3)c2c1 554938321 PHDCQFRMJBGNLN-UHFFFAOYSA-N 296.761 3.784 30 20 CHED C=CCOc1ccccc1CN[C@@H]1[C@H]2Cc3ccccc3[C@H]21 557521642 RABHTNBCHYCXFF-DFQSSKMNSA-N 291.394 3.679 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCCC1(C)C 467112175 VKZFBRRGQUFCCQ-HNNXBMFYSA-N 285.391 3.957 30 20 CHED CC[C@@]1(C)CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462198312 YPOIRUKVKHQQDR-KSSFIOAISA-N 284.403 3.700 30 20 CHED Cc1cc(C)c2c(c1)CN(c1nccc(C#N)c1Cl)CC2 553204086 AMFZRCWYEMSHBE-UHFFFAOYSA-N 297.789 3.786 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(OCCN(C)C)cc1 467405621 QRBXCERMPZTZCL-WBVHZDCISA-N 290.451 3.632 30 20 CHED CCC(CC)N(CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 289753339 QBDLVHKNHAAYEX-CYBMUJFWSA-N 287.407 3.839 30 20 CHED C[C@H](SCCC(C)(C)C#N)C(=O)Nc1ccccc1 289352542 GYCGCEULGYSCKB-LBPRGKRZSA-N 276.405 3.687 30 20 CHED C=CCN1C(=O)c2ccccc2NC12C[C@@H](C)C[C@H](C)C2 639405073 SGQMTHHKVJXNCW-KBPBESRZSA-N 284.403 3.893 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cn1)C1CCCCC1 554362983 CKHASRMURWCJNY-QGZVFWFLSA-N 271.408 3.792 30 20 CHED Cc1cc(C)c2cc(CNCc3cccc(C#N)c3)[nH]c2c1 479399094 NECQRPQRAZILAV-UHFFFAOYSA-N 289.382 3.946 30 20 CHED C=CCCCC(=O)NCCCOc1ccc(Cl)cc1C 479555317 DICDDKZSJRRARP-UHFFFAOYSA-N 295.810 3.890 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(OC)cc(C)n1 470910229 XUVVNGXMHMFEKW-UHFFFAOYSA-N 296.414 3.977 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)c1ccc(CC#N)cc1 554379606 LYFCWIDSNPFIJV-UHFFFAOYSA-N 272.392 3.555 30 20 CHED C=CCOCCN1CCC[C@H]1c1ccccc1Cl 559049721 VZHWZBXRGUTKFU-HNNXBMFYSA-N 265.784 3.680 30 20 CHED C=CCCC(=O)COC(=O)c1coc2ccc(CC)cc12 803822221 VNLMCNVUQFAJSR-UHFFFAOYSA-N 286.327 3.687 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cc(-c2ccc(C)cc2)no1 803784262 NJVFLBSZNFWSAF-QGZVFWFLSA-N 298.342 3.633 30 20 CHED C=CCOC(=O)c1ccc(-c2ccc(F)cc2)s1 807588140 KFLQVAKXFJQUDZ-UHFFFAOYSA-N 262.305 3.897 30 20 CHED Cc1nc(N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)ccc1C#N 291836096 GNSDQHFLPOPWSX-BETUJISGSA-N 297.324 3.819 30 20 CHED CN(CC#Cc1ccc(F)cc1)Cc1c(F)cccc1F 568300577 KFWNDWQMCNLTIU-UHFFFAOYSA-N 289.300 3.587 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1occc1C(C)C 809086189 CLMOWOOKDZPXJY-UHFFFAOYSA-N 281.355 3.679 30 20 CHED C=CCCC[C@@H](C)NC(=O)COC[C@H](C)c1ccccc1 649903152 JUMXTVVOSGLSRY-JKSUJKDBSA-N 289.419 3.668 30 20 CHED C[C@@H](CC(C)(C)O)Nc1cc(C#N)ccc1C(F)(F)F 294862600 AHUSEGXTKLEPPW-VIFPVBQESA-N 286.297 3.538 30 20 CHED CC[C@@H](NCCN(C)c1ccccc1)c1ccc(C#N)cc1 568353220 HMBSHOUQXFLSCH-LJQANCHMSA-N 293.414 3.735 30 20 CHED C[C@H](SCCO[C@H](C)C#N)c1ccccc1F 801658304 ZKLMXBMQMGJEKU-MNOVXSKESA-N 253.342 3.549 30 20 CHED C=CCCCCNC(=O)C1(c2ccc(OC)cc2)CCC1 471671149 LEOQJPKAKJFFMX-UHFFFAOYSA-N 287.403 3.589 30 20 CHED C[C@@H](Cc1cncc2ccccc12)C(=O)OCCCCC#N 805683923 QANSSPFVPKWURQ-AWEZNQCLSA-N 296.370 3.650 30 20 CHED C#CCC(C)(C)c1nc(Cc2c(F)cccc2Cl)no1 290280768 XYNUUROWNDPEOR-UHFFFAOYSA-N 292.741 3.754 30 20 CHED C=CCOCCCN1CCc2c(cccc2C(C)C)C1 470872111 ISMWLJRVRYCOOM-UHFFFAOYSA-N 273.420 3.761 30 20 CHED Cc1ccc(-c2ccc(C=NN[C@H]3CCSC3)o2)cc1 808001746 PNFYHWHPWISLIA-AWEZNQCLSA-N 286.400 3.684 30 20 CHED N#CCCCOc1ccc(OCC2CC2)c(Cl)c1 292764482 WXJCWAHWYXEIRJ-UHFFFAOYSA-N 265.740 3.811 30 20 CHED C=CCCCC(=O)NCC1(c2ccccc2)CCCC1 479518967 TYKCFDTYGSWTFN-UHFFFAOYSA-N 271.404 3.971 30 20 CHED C[C@@H]1CCN(c2cccnc2C#N)CC12CCCCC2 566829721 XWZGMKLCFPAHHX-CQSZACIVSA-N 269.392 3.750 30 20 CHED C=CCCCC(=O)Nc1ccc(OC2CCCC2)nc1 479662646 ITRKMTHGCZKSTL-UHFFFAOYSA-N 274.364 3.698 30 20 CHED CN(Cc1ccc(C#N)cn1)c1ccc2ccccc2c1 809572506 OKOOSOUMSQOKCD-UHFFFAOYSA-N 273.339 3.743 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C)c(NC(C)=O)c1C 644791102 VZPIAYQZIFQEOQ-UHFFFAOYSA-N 288.391 3.803 30 20 CHED Cc1ccc(C[C@H]2CCCN(c3ccnc(C#N)c3)C2)cc1 565320720 GAZWTLLMWBBYRH-QGZVFWFLSA-N 291.398 3.721 30 20 CHED C=CCCCC(=O)OC[C@H](OC)c1ccc(Cl)cc1 801276848 GAPBDSNHQCYLET-AWEZNQCLSA-N 282.767 3.927 30 20 CHED CC[C@H](CC#N)NCc1csc(CCC(C)C)n1 566429125 QCRFQCZVGVKPHG-GFCCVEGCSA-N 265.426 3.514 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@](C)(C#N)C1CCCCC1 569406660 WRFBAARLAPEMPC-CKEIUWERSA-N 276.424 3.791 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1nccc3ccccc13)C2 811694620 SAOCGARGHYAFLW-WJDWOHSUSA-N 296.329 3.929 30 20 CHED CC(C)[C@@H]1N(Cc2ccc(O[C@H](C)C#N)cc2)CC1(C)C 816625059 PVQXZDUTWSGARW-PBHICJAKSA-N 286.419 3.844 30 20 CHED COCC(Cc1ccccc1)=NNc1ccc(F)cc1C 814885265 UJDDXGXIVVZAEE-UHFFFAOYSA-N 286.350 3.791 30 20 CHED C#CCON=C(C)CCCOc1ccc(Cl)c(C)c1 812233079 MNHKTQDSYLBMSW-UHFFFAOYSA-N 279.767 3.833 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1NC(C)C 480850757 YVPCEZGFIYPPAN-UHFFFAOYSA-N 264.344 3.941 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(C2CC2)cc1 564642673 LSLAQCOWDTVKRD-CYBMUJFWSA-N 282.387 3.825 30 20 CHED C[C@H](N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C 564055510 MTIVWDLSQOZKAE-VBNZEHGJSA-N 284.403 3.555 30 20 CHED Cc1ccc(NN=Cc2ncc(Br)s2)cc1 814686218 YHYRVRNIAXQTQS-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNC[C@@H]1CCSC1 811658864 KTHOELMULYPVEG-HZSPNIEDSA-N 268.470 3.777 30 20 CHED C=CCC[C@H](C)NC[C@@H](OC1CCCC1)C(F)(F)F 658124962 RWEBTZFTYNCOTA-WCQYABFASA-N 279.346 3.821 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H]1CCOc2c(C)cccc21 816041563 SYIVWQIGUYPHJZ-GFCCVEGCSA-N 282.286 3.573 30 20 CHED Cc1ccc2c(c1)/C(=C\c1cccc(F)c1C#N)C(=O)N2C 811700347 JYHMSBAWAOVBRZ-NTEUORMPSA-N 292.313 3.523 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)C[C@@H]1CCCC(C)(C)C1 571201047 LPBHYYFTRZPQMJ-BBRMVZONSA-N 296.480 3.744 30 20 CHED CC[C@H]1C[C@H](C)CN1c1ncc(Cl)c(C)c1C#N 572319392 STUNZUAHILLEDR-ONGXEEELSA-N 263.772 3.540 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc([C@@](C)(C#N)CC)n1 575940893 QLNOQBJVGXWYMV-TYNCELHUSA-N 261.369 3.945 30 20 CHED CC(C)c1ccc(C(=O)[C@H](C)OC(=O)CCCC#N)cc1 812617622 SMWSTOFMYDGXCD-ZDUSSCGKSA-N 287.359 3.618 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2Cc2ccc(C#N)cn2)c1 576527343 XVQXVWPOJUCRDD-IBGZPJMESA-N 291.398 3.907 30 20 CHED Cc1ccc(C#N)c(NCc2ccccc2COC(C)C)n1 575889213 GNGIAWVANUOZLB-UHFFFAOYSA-N 295.386 3.799 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C1(F)CCCCC1 810280706 LECFQAMNMTZVPR-UHFFFAOYSA-N 275.367 3.874 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)c1ccccc1 488832401 UOYIVHSKOKOIGO-GDBMZVCRSA-N 257.377 3.747 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](CC)Nc1ccccc1 489975984 DVSIDIGURNFAJS-HNNXBMFYSA-N 274.408 3.596 30 20 CHED C(=NOCCC1CC1)c1nc(-c2ccccc2)cs1 814245509 VKNVNQOJDOLZIC-UHFFFAOYSA-N 272.373 3.961 30 20 CHED CC1CC(C#N)(C(=O)OC[C@@H](C)C2CCCCC2)C1 815219808 BOWJWQCYRYVDRY-MFOWVQHXSA-N 263.381 3.686 30 20 CHED CC[C@H](NCCN1CCCC[C@H]1CC)c1ccc(C#N)cc1 573057110 ODXIZOIMEWQAPF-MOPGFXCFSA-N 299.462 3.863 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cccc2cc[nH]c12 814917722 PJBKSOTZDPDXFU-CQSZACIVSA-N 255.365 3.670 30 20 CHED N#CCCCCNc1nn2cc(-c3ccccc3)nc2s1 728909736 IUGFHUAAVVUJSQ-UHFFFAOYSA-N 297.387 3.564 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1c1cccc(C#N)n1 574214736 KYQNOBMNELGECX-CHWSQXEVSA-N 257.381 3.604 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(F)F)cc1F 653766805 UWTXIVPTKCGKQQ-LLVKDONJSA-N 283.293 3.944 30 20 CHED C=CCCCCCN1CCCC[C@@H]1[C@@H](O)C(F)(F)F 488137744 KOJFJFZVWZFICK-CHWSQXEVSA-N 279.346 3.511 30 20 CHED C=CCCCC(=O)NC[C@H](CC)Oc1cccc(C)c1 488393144 FRBNLOJGXBKGQN-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1SC(F)F 822264718 CKQBHDJSJKBQKB-KOLCDFICSA-N 299.342 3.531 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccnc(Cl)c2)C1 822274093 XAACAVJIKADTIA-NSHDSACASA-N 279.771 3.555 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](CC)CCC)c1 726482759 JSJNOGLISXSASV-ZDUSSCGKSA-N 260.406 3.533 30 20 CHED N#CCCC1CCN(Cc2cc(-c3ccccc3)on2)CC1 575745571 LDUQSHYQZAMONK-UHFFFAOYSA-N 295.386 3.857 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)c1ccsc1 669862246 BWAYDYARDPFZAQ-LBPRGKRZSA-N 287.384 3.804 30 20 CHED C=CCOCC(=O)OCc1ccccc1Oc1ccccc1 729764201 ZMZBKKBXWHUHAY-UHFFFAOYSA-N 298.338 3.725 30 20 CHED CC(F)(F)c1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1 589990103 LRADURYJLNDFHU-OAHLLOKOSA-N 292.329 3.564 30 20 CHED C=C(C)C[C@@H](NC/C=C/c1cc(C)c(C)cc1C)C(=O)O 901682628 VUIPGVHEGCPFCM-DKRLNXSXSA-N 287.403 3.634 30 20 CHED Cc1nnc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(C#N)c1C 492329061 KMLQEEBHKFDLDO-SOUVJXGZSA-N 284.407 3.736 30 20 CHED C=CC1CCN(C(=S)Nc2ccc(C)c(F)c2)CC1 731942421 MRRXSQATSJHDEB-UHFFFAOYSA-N 278.396 3.729 30 20 CHED C=CC(C)(C)CCNCc1ccnc2c(C(=O)O)cccc12 902424597 SZFXOXIEITYZCB-UHFFFAOYSA-N 298.386 3.625 30 20 CHED COCCC[C@H](NCC1(C#N)CCC1)c1ccc(F)cc1 903032277 INNAAJSCJQMIDN-INIZCTEOSA-N 290.382 3.577 30 20 CHED FC(F)(F)c1cccc(NN=Cc2cccs2)n1 739422142 STMSYYOPOVHKBL-UHFFFAOYSA-N 271.267 3.608 30 20 CHED C[C@@H]1CCC[C@@H]1CN[C@H]1CCc2ccc(C#N)cc21 582032342 DLJCMYLYUADWTN-VMGRFDJRSA-N 254.377 3.571 30 20 CHED C[C@@H]1CN(Cc2ccc(OCC#N)cc2)Cc2ccccc21 731210211 DFPGYPWKIOBEHZ-OAHLLOKOSA-N 292.382 3.708 30 20 CHED N#Cc1cc(F)ccc1COC(=O)CC1=CCCCC1 730337267 HBWQEKGBLKZNSH-UHFFFAOYSA-N 273.307 3.631 30 20 CHED Cc1ccc(C=NN[C@@H](C)C(F)(F)F)cc1Cl 834997926 NETSYKVLDNVZQG-QMMMGPOBSA-N 264.678 3.523 30 20 CHED C#CCC[C@@H](C)OC(=O)C[C@@H](C)c1cccc(OC)c1 839037728 TZQSGCKANNTIES-ZIAGYGMSSA-N 274.360 3.534 30 20 CHED Cc1nc(NC(=O)CCCC2CC2)sc1SCC#N 589692385 WWOOESVGSFWOBZ-UHFFFAOYSA-N 295.433 3.586 30 20 CHED CCOc1ccc(O)c(/C=N\CCC[C@H]2CCCCO2)c1 588457750 IWWIRWLZBUSOOT-QLENYVDCSA-N 291.391 3.559 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1sccc1O 835019727 GEGHXIUZLDPKLE-CYBMUJFWSA-N 290.363 3.594 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1cc(C)sc1C 833387218 VHHAARKGCBEKGV-UHFFFAOYSA-N 288.372 3.899 30 20 CHED CSc1ccccc1C(=O)/C=C\c1cnc2ccccn12 588617957 HZURLBJHGBLQKF-KTKRTIGZSA-N 294.379 3.952 30 20 CHED COc1cccc2c1CC/C(=C/c1cccnc1Cl)C2=O 588618384 QAFRWEOHJXEHIZ-KHPPLWFESA-N 299.757 3.956 30 20 CHED CC[C@H](NC(=O)C#CC(C)(C)C)c1ccc(Cl)cc1 837322472 PEANXAHWIYBPDF-AWEZNQCLSA-N 277.795 3.957 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)ccc1NCCC 679312438 HXYFZADRLRQDME-UHFFFAOYSA-N 296.798 3.693 30 20 CHED N#CC1(COC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CCC1 835311869 YRMOAIHXYLGGPQ-HZPDHXFCSA-N 283.371 3.807 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@@H](C#N)C(C)C 732096898 AJYMEJBYIYHLOW-KBPBESRZSA-N 252.402 3.647 30 20 CHED CCOc1ccc(/C=N\[C@H](C)c2c(C)noc2C)c(O)c1 733749927 FZIDBJPTBLMXIF-LGQZLYSRSA-N 288.347 3.576 30 20 CHED C=CCCSCCNC1CCN(C2CCCCC2)CC1 594960244 NUZSLAHJMTYAOR-UHFFFAOYSA-N 296.524 3.682 30 20 CHED CC[C@@H](C#N)C(=O)N(CC(C)C)c1cccc(Cl)c1 593739330 YJXCISSPKSLSKT-LBPRGKRZSA-N 278.783 3.879 30 20 CHED CCC(CC)[C@@H](NC(=O)[C@H](C#N)CC)c1cccs1 593417534 VIYCSRAWBMZLOZ-GXTWGEPZSA-N 278.421 3.891 30 20 CHED COCC#CCn1ccc(-c2cc(Cl)ccc2Cl)n1 678823104 MJMJBNWBUOUOEO-UHFFFAOYSA-N 295.169 3.507 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(F)c(Cl)c2)C1 839050343 AUCJYQVIAZIYQJ-KOLCDFICSA-N 281.714 3.718 30 20 CHED CO[C@@]1(C)CC(=NNc2ccc(F)cc2F)C1(C)C 746557427 DBQSLZNQZZDHDL-AWEZNQCLSA-N 268.307 3.568 30 20 CHED Cn1cccc1C=NOCc1ccc(C(F)(F)F)cc1 746575865 JIWZOLZWWFOKLI-UHFFFAOYSA-N 282.265 3.595 30 20 CHED N#Cc1ccc(OC(=O)c2sccc2C2CC2)cc1 916623359 QIOBMGRRPWRNAU-UHFFFAOYSA-N 269.325 3.716 30 20 CHED C[C@@H](NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1cccc(C#N)c1 597318487 ATSDTDKIAXSNLR-ZSGPHXLJSA-N 296.414 3.952 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](CO)c1ccc(Cl)cc1 672619630 IDWGLSJCQXKDSX-YDHLFZDLSA-N 281.827 3.606 30 20 CHED CCCCCCCOC(=O)C[C@H](C)n1nc(C)cc1C 918493614 CPWZVSOZHRYIDM-HNNXBMFYSA-N 280.412 3.965 30 20 CHED COc1cc(C)c([C@H](C)NCC(C)(C)CC#N)cc1C 840787660 NPBLGLZMSUCEBY-AWEZNQCLSA-N 274.408 3.903 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1CCCCCC1 594040174 UDNUNAIDOQBDKR-OAHLLOKOSA-N 298.430 3.823 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 595538004 FZDVDZGENSJARE-CABCVRRESA-N 297.402 3.617 30 20 CHED COCCCC(C)=NNc1ccc(Br)c(C)c1 759200980 FANQQKMJQJOUGY-UHFFFAOYSA-N 299.212 3.972 30 20 CHED C=CC(C)(C)COC(=O)c1ccc2ccncc2c1 845587047 YIEQQMYBEYGNHN-UHFFFAOYSA-N 255.317 3.604 30 20 CHED CCc1c(C)sc(NC(=O)c2oc(C)cc2C)c1C#N 1358399616 XCGVKXNBOMWBRK-UHFFFAOYSA-N 288.372 3.953 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)Cc1ccco1 740029627 JBEWNAOVMJVGOZ-AWEZNQCLSA-N 278.396 3.598 30 20 CHED C[C@@H](C(=O)N1CCCSC1=Nc1ccccc1)C1CC1 747872202 CIYSWGRFFYTQKJ-GFCCVEGCSA-N 288.416 3.686 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1coc2ccc(C(C)C)cc12 594091110 JUJPYJQTCFQGIJ-ZDUSSCGKSA-N 284.359 3.930 30 20 CHED N#Cc1cccnc1Sc1nnc(-c2ccccc2)s1 749148007 PVNFERCPGROOGK-UHFFFAOYSA-N 296.380 3.623 30 20 CHED CCCCCCC[S@@](=O)Cc1cnc2ccccc2n1 849222426 AHAVRKAXCGONMJ-HXUWFJFHSA-N 290.432 3.849 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(OC)cc2C)c1 840756732 DVYREMOFSPRVHK-HNNXBMFYSA-N 279.383 3.836 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 593544723 JTOUFTMYEBLAQJ-ZWKOTPCHSA-N 298.430 3.798 30 20 CHED O=C1/C(=C\C2=Cc3ccccc3OC2)COc2ccccc21 749357878 LBWAMTWXCCHOPF-GDNBJRDFSA-N 290.318 3.664 30 20 CHED CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccncc1 590778607 DNEUWUYXIIWBLY-INIZCTEOSA-N 285.778 3.848 30 20 CHED CC1(CCCCSc2ccccc2C#N)OCCO1 840198555 FLYGEGVCHSMBGI-UHFFFAOYSA-N 277.389 3.584 30 20 CHED CCCC[C@H](C(=O)N1CCC[C@H](CC#N)C1)C(C)C 598747031 YWGQEFHSXHSCFA-CABCVRRESA-N 264.413 3.601 30 20 CHED CC(C)CC[C@H]1CCCCN1C[C@H](O)CC(C)(C)C#N 598597550 GPEMDAXQXIWFCC-HZPDHXFCSA-N 280.456 3.578 30 20 CHED C[C@@H](c1noc(C2(C#N)CCCCC2)n1)c1ccco1 598680201 DDPZESJVQDELCS-LLVKDONJSA-N 271.320 3.540 30 20 CHED C#CCOc1cccc(NC(=O)N(CC)C[C@@H](C)CC)c1 748948159 QPEKRFBSPFGGPE-AWEZNQCLSA-N 288.391 3.599 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(CSCC)cc1 844699049 RKNAAMZZPPAPFV-LLVKDONJSA-N 280.393 3.567 30 20 CHED N#Cc1c(CN2CCC3(CCCC3)C2)cn2ccccc12 743863979 GCHJODOWLXOCKQ-UHFFFAOYSA-N 279.387 3.577 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccccc1O[C@H](C)C#N 926118097 YLLDZIUGFBCLLO-CHWSQXEVSA-N 271.364 3.718 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccc3cc[nH]c23)cc1 681350252 LDMNOMZEOBTSDT-UHFFFAOYSA-N 292.338 3.985 30 20 CHED CCCCCCCC(=O)N[C@H]1C[C@H](OCC)C12CCC2 741616664 ZEPAAHTYBYNGRU-GJZGRUSLSA-N 281.440 3.811 30 20 CHED N#C[C@H](C(=O)CCc1ccoc1)c1ccc2ccccc2n1 753390117 JRIOQDQWVYDZRU-HNNXBMFYSA-N 290.322 3.637 30 20 CHED CC(=NNc1cncc(Br)c1)c1occc1C 758123050 RFYNKMJXUIUMHN-UHFFFAOYSA-N 294.152 3.582 30 20 CHED C#C[C@H](CC)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 754379108 HKCGRXNFDBRWNW-SMDDNHRTSA-N 297.320 3.727 30 20 CHED Oc1ccc(C=NOc2ccccc2C(F)(F)F)cc1O 754710531 UDEDFUFQUABTMH-UHFFFAOYSA-N 297.232 3.530 30 20 CHED C=CCCOC(=O)[C@H](C)Cc1cccc(Cl)c1 756341241 MGQHWDNBFXFOMU-LLVKDONJSA-N 252.741 3.638 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1c[nH]c2c(C)cccc12 755990090 BIVWNWRYRGJEHA-LBPRGKRZSA-N 257.333 3.527 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc(Cl)nc1 759083566 NGDQEUBPRYRRGR-XQRVVYSFSA-N 287.746 3.948 30 20 CHED CSCCCCCCNc1nc(C#N)ccc1C 853475476 MZZCMCOVQPEIQY-UHFFFAOYSA-N 263.410 3.597 30 20 CHED CCCCCCCNC(=O)N1CCC2(CC(OCC)C2)C1 858112942 CIYIJSRLZMEGBM-UHFFFAOYSA-N 296.455 3.557 30 20 CHED Cc1ccc(C)c(C=NN[C@H](C)c2ccccc2)c1 920386241 UYVZDGKSNJXCDN-OAHLLOKOSA-N 252.361 3.988 30 20 CHED Cc1c(C(=O)O[C@@H](C)CC(C)(C)C#N)ccn1C(C)C 851203785 FLMVDTGXOXZWPJ-LBPRGKRZSA-N 276.380 3.863 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H](OC(C)C)C1 858114317 DWUCEWOKFAGEDF-HNNXBMFYSA-N 284.444 3.556 30 20 CHED CC1(C)C(=NNc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 853288551 DIYLYWBRHRPHGR-UONOGXRCSA-N 253.349 3.782 30 20 CHED CC(C)CON=Cc1nc(-c2ccccc2)cs1 755800341 AFBVMSZMHQCUHN-UHFFFAOYSA-N 260.362 3.817 30 20 CHED Fc1ccc(C=NOCc2cccnc2)cc1C(F)(F)F 755801661 JSSZZNHAJAGPSF-UHFFFAOYSA-N 298.239 3.790 30 20 CHED COc1cc(F)cc(NN=Cc2cccc(F)c2F)c1 759207361 VSIGMRYDJJIKQP-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CSc1ccc(C(=O)Oc2ccc(C#N)cc2F)cc1 769738556 RZSOMGHFGJPILW-UHFFFAOYSA-N 287.315 3.638 30 20 CHED C=CCC[C@H](C(=O)OCc1nccnc1C)c1ccccc1 869479736 GSQWWHDJYZQKJC-INIZCTEOSA-N 296.370 3.578 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H](COc2ccccc2)C1 935305388 YBHLNIUUXHFLLL-CVEARBPZSA-N 287.403 3.516 30 20 CHED COCc1csc(/C=C2/CCc3scnc3C2=O)c1 863197469 CIMUICWYXUQKAS-YHYXMXQVSA-N 291.397 3.564 30 20 CHED C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 868960580 ZGSLYFJTVWBIRH-BZXQXMNPSA-N 274.408 3.567 30 20 CHED COc1cccc(NN=C(C)c2sccc2OC)c1 769778271 RNMFOIINHKLGRC-UHFFFAOYSA-N 276.361 3.601 30 20 CHED C/C=C(/C=C/C(=O)OCc1cc(F)ccc1C#N)CC 767660621 CRCCSMFDGOETQU-NBKHWYKPSA-N 273.307 3.653 30 20 CHED FC(F)(F)CON=C1CC2(CCC2)Oc2ccccc21 764847082 MXIQMEOWXCRBQP-UHFFFAOYSA-N 285.265 3.675 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H](F)c1ccccc1 768992412 HMVZLXHDEBUEIR-QGZVFWFLSA-N 299.345 3.578 30 20 CHED CC[C@]1(C)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 769519134 KZDIERWONQMSPL-RHSMWYFYSA-N 272.392 3.599 30 20 CHED C=C[C@@H](C)ONC(=O)c1cc(C(F)(F)F)ccc1Cl 862132512 HRPLPNRCTQLWLX-SSDOTTSWSA-N 293.672 3.595 30 20 CHED C[C@H](NC(=O)OC1CCCCC1)c1ccc(C#N)cc1 866482413 KJZCALNKXVIGJO-LBPRGKRZSA-N 272.348 3.678 30 20 CHED CC(CCCC(C)C)=NNc1nc(-c2ccncc2)no1 764689674 GBELNSVQSHWBFS-UHFFFAOYSA-N 287.367 3.746 30 20 CHED C=CCCC(=O)COC(=O)C[C@@H](c1ccccc1)C(C)C 761404493 PQVXMEDMQOSLIY-QGZVFWFLSA-N 288.387 3.895 30 20 CHED CC(=O)c1cccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 769699576 RNTJOGZKCQCZDE-ZDUSSCGKSA-N 293.322 3.679 30 20 CHED C[C@H](CC(=O)OC[C@H](C#N)Cc1ccccc1)c1ccco1 860592704 SMHBKZJSWSXMTI-ZBFHGGJFSA-N 297.354 3.699 30 20 CHED Cc1cccc2cc(C(=O)Oc3ccc(C#N)cc3F)oc12 769738993 YASAQAUEGVEEKE-UHFFFAOYSA-N 295.269 3.971 30 20 CHED CCC(CCc1ccccc1)=NNc1oc(C)nc1C#N 863081901 ARSVYBOCWRADOT-UHFFFAOYSA-N 282.347 3.665 30 20 CHED C=C(CC)CN1CCC(O)(c2ccccc2Cl)CC1 769814770 MIWHWFYZOVAVGR-UHFFFAOYSA-N 279.811 3.590 30 20 CHED CC1(c2ccccc2)CCC(=NNc2cccnn2)CC1 766704988 NTWMIRFRHDYSNN-UHFFFAOYSA-N 280.375 3.776 30 20 CHED CC(=NNc1cccc(Br)c1)c1cscn1 767899212 FAMPHMVNATXKIL-UHFFFAOYSA-N 296.193 3.742 30 20 CHED C#CCCCCCC(=O)NCc1c(F)cccc1Cl 779808079 XLSVOZBNCQCIOQ-UHFFFAOYSA-N 281.758 3.679 30 20 CHED COc1cc(C=NOC2CCCC2)ccc1SC 774596309 CETKLCPHJMSIIX-UHFFFAOYSA-N 265.378 3.710 30 20 CHED Cc1ccc(Oc2snc(Cl)c2C#N)c(Cl)n1 777787219 HZGWAGGGQIAMPA-UHFFFAOYSA-N 286.143 3.817 30 20 CHED CC(CCCC(F)(F)F)=NNc1cc(C)ccn1 774388141 MWGSMNFWUVDSGF-UHFFFAOYSA-N 259.275 3.910 30 20 CHED C[C@H](Sc1ccccc1Cl)C(=O)OCC1(C#N)CC1 775849725 JPSJWLHLUHENNG-JTQLQIEISA-N 295.791 3.668 30 20 CHED C[C@@H](COC(=O)c1cccc(F)c1C#N)c1ccccc1 778373273 LSHOFPICOQNFOV-LBPRGKRZSA-N 283.302 3.658 30 20 CHED CC(C)c1ccccc1C(=O)Nc1n[nH]c(C2CC2)c1C#N 870232884 MHOCYVPCKKQCIE-UHFFFAOYSA-N 294.358 3.534 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)Cc1ccco1)c1ccccc1 777514158 JKXSNVSEAIHNOT-YOEHRIQHSA-N 283.371 3.687 30 20 CHED N#Cc1cccc(COC(=O)CCCc2ccccc2)c1F 774923162 YXZQSSGIMKUQPI-UHFFFAOYSA-N 297.329 3.763 30 20 CHED C=C(C)CCC(=O)Oc1ccc(NC(=O)C(C)C)cc1 1120708384 TYSZDEVOQMZORP-UHFFFAOYSA-N 275.348 3.543 30 20 CHED CC(C)C[C@@H]1C[C@@H](Nc2cc(C#N)cc(Cl)n2)CCO1 1120833525 PBNIEPRWENWFDP-QWHCGFSZSA-N 293.798 3.612 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(C)oc1C 779167118 BUEXDBDNJLNFET-UHFFFAOYSA-N 259.349 3.720 30 20 CHED c1ccc(-c2ccc(CNN=C3CCCOCC3)cc2)cc1 770604627 CNRYVYSTABRPMD-UHFFFAOYSA-N 294.398 4.000 30 20 CHED Fc1cccc(NN=C2CCOC3(CCCCC3)C2)n1 884465027 KXWGYSOMQHVWDV-UHFFFAOYSA-N 277.343 3.502 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H]1CCC[C@@H](C)C1 1124388806 MDWSOTFUVJQOFJ-JKIFEVAISA-N 285.387 3.859 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CCC[C@@H](C)[C@H]1C 1127682210 ZCCSARABJWZOQZ-AXAPSJFSSA-N 271.360 3.848 30 20 CHED CN(Cc1ccc(Cl)cc1)C(=O)c1csc(C#N)c1 1124161276 ZKJLGLHVSMIWQL-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C#C[C@@H](C)NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 788534936 SMEUKRFABJDLGT-CABCVRRESA-N 293.366 3.578 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 1123559860 SXWFXIUJAGHTCL-GFCCVEGCSA-N 287.359 3.893 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccc(C#N)cc2Cl)c1 788361025 RXMPNUZZBSQOGK-ALCCZGGFSA-N 292.725 3.979 30 20 CHED N#CCCCCCC(=O)NC1(C2CCCCC2)CC1 891276635 PYHYGGVEQPKMJP-UHFFFAOYSA-N 262.397 3.690 30 20 CHED O=C1/C(=C\c2nc3c(s2)CCCC3)Cc2cc(O)ccc21 780188353 NZLZBXIDGQOOHA-LUAWRHEFSA-N 297.379 3.550 30 20 CHED CC(C)[C@H](C)N(C(=O)CCCC#N)c1ccccc1 894225954 MRSKXSKEOVRIOW-AWEZNQCLSA-N 258.365 3.758 30 20 CHED C=CCN(C(=O)c1cnn(C2CCCCC2)c1C)C(C)C 781134666 QVXDQIZJSPRPIF-UHFFFAOYSA-N 289.423 3.733 30 20 CHED CC[C@@H]1c2ccccc2CN1c1ccc(C#N)c(C)n1 897354016 HURIEGURNIOWGN-MRXNPFEDSA-N 263.344 3.733 30 20 CHED C=CC(C)(C)C(=O)Nc1cnc(Cl)cc1Cl 890997819 MMCSGVMDPRCLNH-UHFFFAOYSA-N 259.136 3.539 30 20 CHED N#Cc1ccc(N[C@H]2CCCc3ccc(F)cc32)c(CO)c1 893617201 PWJMTJXEJLMCKB-SFHVURJKSA-N 296.345 3.679 30 20 CHED N#Cc1sc(N[C@H](c2ccccn2)C2CC2)nc1Cl 895795529 FQTKETVKYOPNHW-NSHDSACASA-N 290.779 3.626 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)Oc2ccc(F)cc21 782330000 VMEVRBZOTAGOTP-WUXMJOGZSA-N 287.315 3.776 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCCCC)C(C)C 798041288 ZWSWYMIKJUJLNN-ULQDDVLXSA-N 295.467 3.936 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCSC1 790598510 NMXQNYPZWHSUBK-VLYAYIKJSA-N 290.215 3.871 30 20 CHED C=CCC1(C(=O)NCc2c(C)cccc2C)CCC1 790783622 GRRGTORDKWTUJD-UHFFFAOYSA-N 257.377 3.666 30 20 CHED C#CCOc1ccccc1CNc1cnn([C@H](C)CC)c1C 791004549 MKZYDKXAZLNHJX-CQSZACIVSA-N 297.402 3.787 30 20 CHED Cc1nn(C(C)C)cc1C=NNc1cc(F)c(F)cc1F 799110520 YWRBYQRGEBNJLD-UHFFFAOYSA-N 296.296 3.636 30 20 CHED C#CC[C@@H](NC(=O)N(CC1CC1)C1CCC1)c1ccccc1 793125564 AOIDWQKHLLLLQF-GOSISDBHSA-N 296.414 3.725 30 20 CHED Cc1cccc(C)c1[C@H](C)OC(=O)c1ccc(C#N)o1 797014146 DBEQKPCHYXFDSC-LBPRGKRZSA-N 269.300 3.686 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(Br)c2)no1 791431810 KMSILDOZQNFRLT-AATRIKPKSA-N 292.132 3.642 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)ccc1Cl 245411610 XQWGXDPJJQWYGW-IMRBUKKESA-N 274.751 3.586 30 20 CHED CC[C@](C)(C#N)C(=O)OCC[C@@H]1CCC[C@@H](C)C1 797132333 PRKHPPWOPMZVMF-VNHYZAJKSA-N 251.370 3.686 30 20 CHED CC[C@@H](C)NN=CC1CCC(C(F)(F)F)CC1 790190017 MPNGGKKGNFRASG-KPPDAEKUSA-N 250.308 3.729 30 20 CHED N#CC[C@H](CC(=O)Oc1cccc(F)c1)c1ccccc1 792867532 JHTSEHIUYCMCAI-CQSZACIVSA-N 283.302 3.819 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNc1ncccc1[N+](=O)[O-] 797401097 ALYFRHHZUHUUAN-GHMZBOCLSA-N 276.340 3.604 30 20 CHED CC(=NNCCC(F)(F)F)c1cccc(Cl)c1 794546460 SVFJEYCQQAZJSP-UHFFFAOYSA-N 264.678 3.606 30 20 CHED C=CCOc1ccc(C=NN[C@@H](C)CC)cc1Cl 790184507 WTVJTKHRGOKZCV-NSHDSACASA-N 266.772 3.627 30 20 CHED C#CCCN1CCC[C@H]1c1ccc(Br)c(F)c1 797522882 HZGZJOSVAUPOOV-AWEZNQCLSA-N 296.183 3.748 30 20 CHED COc1ccc(C=NNc2cccc(Cl)n2)cc1Cl 793174838 NFOVSVDFDOODIG-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H](O)c1cccc(F)c1 793530689 XGRHVZFKRAALLZ-WMLDXEAASA-N 279.399 3.974 30 20 CHED C=CCCCCC[C@H](C)NC[C@H](O)c1cccc(F)c1 793530691 XGRHVZFKRAALLZ-YOEHRIQHSA-N 279.399 3.974 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ncc(Cl)s1 1321559638 RQHAZMXBUDBDET-UHFFFAOYSA-N 286.784 3.673 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1326184299 WAJSFLUXDNARHR-UHFFFAOYSA-N 281.702 3.929 30 20 CHED COc1cccc2c1CC[C@@H]2Nc1ccc(OCC#N)cc1 1320675343 LLQPZIVSDVRADH-KRWDZBQOSA-N 294.354 3.697 30 20 CHED C#CC[C@@H](NCc1ncoc1C(C)C)c1ccccc1 1323427553 KJGYIKRULUDXJB-OAHLLOKOSA-N 268.360 3.652 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)CCC1CCCC1 1326972691 HQSIXGFEKJWFON-UHFFFAOYSA-N 277.755 3.516 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)c1ccsc1 61361407 TUKWTNDUVHJJCL-LBPRGKRZSA-N 272.373 3.501 30 20 CHED Cc1cc(CN2CC(Cc3ccccc3C)C2)ccc1C#N 1182990342 OZMFYJKBAOUAOC-UHFFFAOYSA-N 290.410 3.850 30 20 CHED C=C(CNC(=O)N1C[C@H](CC)CC[C@H]1C)c1ccccc1 1251694010 FGMVQETZSVNPGQ-HZPDHXFCSA-N 286.419 3.920 30 20 CHED C=C(CNCc1ccc(F)c(OC)c1)c1ccccc1 1335694343 BXGZCIDHKKDECH-UHFFFAOYSA-N 271.335 3.637 30 20 CHED C#CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 763950198 SYBOJGPHCFKUPQ-UHFFFAOYSA-N 286.762 3.593 30 20 CHED CC#CCCSc1nc(-c2ccc(CC)cc2)n[nH]1 1254920649 WQXLCRQAEFVKBY-UHFFFAOYSA-N 271.389 3.540 30 20 CHED Cc1ccc(CC(=O)N(c2cccc(C#N)c2)C2CCC2)o1 1262101055 MBGMHTSRWDMMON-UHFFFAOYSA-N 294.354 3.588 30 20 CHED C=C(C)Cn1c([C@@H](C)SC)nnc1N1CCC(C)CC1 1346484616 QJRMMZDXMHUBHZ-CYBMUJFWSA-N 294.468 3.515 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(OC)cc1C 1344623032 YHLKPZJHUKZFER-AWEZNQCLSA-N 288.391 3.966 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC1CC(C)C1 1190347738 FINZFPIRTFNGLX-UHFFFAOYSA-N 256.393 3.816 30 20 CHED Cc1cc(CSCc2ccnc(N(C)C)c2)ccc1C#N 1343937762 QCJMXJHMVCZZPO-UHFFFAOYSA-N 297.427 3.761 30 20 CHED C=C(C)CCC(=O)Nc1cc(C#N)ccc1OC(C)C 1346748985 AYMHFWRWQWVOCP-UHFFFAOYSA-N 272.348 3.640 30 20 CHED CCC[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1346150508 KRMXJRXGBJPUQC-NXEZZACHSA-N 289.766 3.829 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc(OC3CCCC3)cc2)C1 1344016996 KJMIXPYPLAHHBS-DYVFJYSZSA-N 299.370 3.857 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(-c2ccnn2C)ccc1C 1346957199 FJZLMAKLOQUCPN-UHFFFAOYSA-N 297.402 3.936 30 20 CHED N#CC[C@@H](C(=O)Nc1cc(C2CC2)ccn1)c1ccccc1 1274649802 UEODHNCEJMSYQM-MRXNPFEDSA-N 291.354 3.595 30 20 CHED C[C@@H]1C[C@@H](CC(=O)Nc2cccc(C#N)n2)CC(C)(C)C1 1437072893 IBOKIRDOGFDTMW-OLZOCXBDSA-N 285.391 3.744 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CSc1ccc(Cl)cc1 1289299850 XCHOWEIUXHPJAI-LBPRGKRZSA-N 296.823 3.583 30 20 CHED CCSc1cccc(NC(=O)c2ccsc2C#N)c1 1360650063 RQRQTNALNBTZFB-UHFFFAOYSA-N 288.397 3.984 30 20 CHED CSc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1C(=O)O 1607409733 QXZOFHBWBLBYIT-WDEREUQCSA-N 290.388 3.601 30 20 CHED COc1cc(C#N)ccc1C(=O)OCc1ccc(C)cc1C 1522925776 QXUVEOYOMOZNPA-UHFFFAOYSA-N 295.338 3.541 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cccc2cc[nH]c12 1529893515 VJHHQKRKYCDIKL-UHFFFAOYSA-N 275.311 3.600 30 20 CHED C[C@H]1C[C@@H](CCNC(=O)c2ccc(C#N)o2)CC(C)(C)C1 1524775807 PLARZCJTEDWIMC-QWHCGFSZSA-N 288.391 3.734 30 20 CHED C=CCOCSc1cc2ccccc2cc1C(=O)O 1602920611 NGGVSYJKVITDEP-UHFFFAOYSA-N 274.341 3.790 30 20 CHED O=C(O)c1ccc(Cl)c(/C=C/C(=O)c2cccs2)c1 1608892137 DVWHPUMMBCASRJ-GQCTYLIASA-N 292.743 3.996 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN1CCc2c(C#N)cccc21 1460269266 CEKBTJPRUPVHEO-KDOFPFPSSA-N 284.403 3.516 30 20 CHED CC1(C)OB(c2ccc3ccccc3c2Cl)OC1(C)C 201528767 JKSLKPMBGAVYQD-UHFFFAOYSA-N 288.583 3.792 30 20 CHED C=C(C)C[C@@H](Nc1nc2c(C)c(C)ccc2s1)C(=O)O 1602757927 XKBWUJOKMIUBGV-LLVKDONJSA-N 290.388 3.744 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 1470353538 OVQNSWXYCDRDHV-VYDXJSESSA-N 291.439 3.538 30 20 CHED C=CCCCCN(C)Cc1ccc(CN(C)C)cc1 859212416 JJLPFKVQXYHFPX-UHFFFAOYSA-N 260.425 3.536 30 20 CHED CN(CCc1ccc(Cl)cc1)c1c(C#N)cccc1C#N 1559153727 HLLPPSBZBPXVJZ-UHFFFAOYSA-N 295.773 3.762 30 20 CHED Cc1cc(C)cc(CN2CCCC(C)(C)[C@H]2C#N)c1 1617736152 YWEUEAAWZNGTDX-MRXNPFEDSA-N 256.393 3.818 30 20 CHED C=CCCCN(CC)C(=O)Nc1cc(C)cc(C(=O)O)c1 1588801632 PLJJPBYALBNING-UHFFFAOYSA-N 290.363 3.513 30 20 CHED N#Cc1cnnc(Oc2ccc3c(c2)[nH]c2ccccc23)c1 1651274634 NXVMNTBPXYWEDV-UHFFFAOYSA-N 286.294 3.775 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(F)cc1C#N)[C@@H]1CC1(C)C 1669604603 CUQSYWQUYXRUGP-QWHCGFSZSA-N 289.354 3.644 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2C)[C@@H]1C 1669819996 JPCYHEJGUMEFAZ-CHWSQXEVSA-N 271.364 3.519 30 20 CHED C=C(CNC(=O)Nc1cncc(Cl)c1)c1ccccc1 1663826398 XETXQLRZMSQBSO-UHFFFAOYSA-N 287.750 3.570 30 20 CHED CCC(=NNc1ccc(C(=O)O)c(Cl)c1)C1CC1 1594694300 UDXAARQTXFWJLZ-UHFFFAOYSA-N 266.728 3.626 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H]2CC3CCC2CC3)CC1 1776158471 RTMYOTVNXZZPPE-GPANFISMSA-N 291.435 3.556 30 20 CHED CC[C@H](C)CON=Cc1csc2ccc(C(=O)O)cc12 1776112375 RDYGKWSCMCSZNR-JTQLQIEISA-N 291.372 3.996 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)CCc2ccc(C#N)cc2)C1 150770482 NRFPFIATOXGACJ-HUUCEWRRSA-N 284.403 3.528 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)CCc2ccc(C#N)cc2)C1 150770505 NRFPFIATOXGACJ-LSDHHAIUSA-N 284.403 3.528 30 20 CHED CCCc1noc(CSCCCC(C)(C)C#N)n1 161463709 QHMBKZDMQUXJPP-UHFFFAOYSA-N 267.398 3.585 30 20 CHED C[C@H](C#N)Oc1ccccc1NC1Cc2ccccc2C1 162260264 SIYFTABRUCRSAX-CYBMUJFWSA-N 278.355 3.557 30 20 CHED C[C@@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(C#N)cc1 162948950 HJUYZLBLAGQPDU-QCSYZSNVSA-N 296.414 3.557 30 20 CHED C=CCN(CC=C)Cc1cnc(-c2ccc(C)o2)s1 158143444 YTBFTGYHBHUYJA-UHFFFAOYSA-N 274.389 3.886 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(F)c(C#N)c1 158209516 VANSSUAWAQKTML-UHFFFAOYSA-N 296.301 3.547 30 20 CHED CSCCCSCc1ccc(F)cc1C#N 153335950 KGDVAQIDNAQKTI-UHFFFAOYSA-N 255.383 3.684 30 20 CHED C=C(C)CNC(=O)Nc1ccc(COc2ccccc2)cc1 157726168 ZCIVSHJYBOVNDS-UHFFFAOYSA-N 296.370 3.963 30 20 CHED Cc1cc(F)ccc1[C@@H](C)NCc1cccc(C#N)c1 815558613 IUXGNFUNQFCSEM-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=CCCCCCCNCc1ccc(Cl)nc1 808418856 GLVSPCOTZUXPPX-UHFFFAOYSA-N 252.789 3.961 30 20 CHED C[C@H](N[C@H](C)Cc1cccs1)c1ccc(C#N)cc1 36992913 OMLLKUSQRNZXAB-OLZOCXBDSA-N 270.401 3.902 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccc(SC)cc1 281276997 NEZYNFRQZXXVJO-CYBMUJFWSA-N 275.417 3.779 30 20 CHED C[C@H]1CCC[C@@H]1Nc1nc2ccccc2cc1C#N 71385939 HENUCDMRRMRTJO-FZMZJTMJSA-N 251.333 3.707 30 20 CHED Cc1cccc(C(=O)Nc2ccc(C#N)c(F)c2)c1Cl 308100610 GBMVJTYPWMORBW-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 404275602 RXHYHIGSIIRHHH-UHFFFAOYSA-N 260.356 3.709 30 20 CHED COc1ccc(C#N)cc1COc1cc(F)ccc1Cl 312678107 YXZXETZJMQATRI-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C=C(CC)CN[C@@H](c1ccccc1)c1ccccn1 313504777 OSGPWELRPOASSK-KRWDZBQOSA-N 252.361 3.727 30 20 CHED Cc1csc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)n1 80272926 STYULAPMZVRIEW-VXGBXAGGSA-N 271.389 3.735 30 20 CHED C[C@H](NCc1cccc(O)c1Cl)c1ccc(C#N)cc1 328282763 ZEMAZPAROWJSBE-NSHDSACASA-N 286.762 3.768 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 531562464 YYGLCSJUESEEMR-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED C=C(C)CN(Cc1ccccc1)CC1(C#N)CCC1 450889399 QQWVYBNEAURNGT-UHFFFAOYSA-N 254.377 3.759 30 20 CHED CC(=NOCc1ccccc1)c1ccc(O)c(Cl)c1 768772740 HVPVBMFCHBKHIE-UHFFFAOYSA-N 275.735 3.986 30 20 CHED CCC1CCC(=NNc2nc3ccccc3[nH]2)CC1 4864251 KHEZOVPBZIEIPP-UHFFFAOYSA-N 256.353 3.931 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)cc1 19479196 PAQYLIQVQLPCAB-ZDUSSCGKSA-N 276.339 3.540 30 20 CHED Cc1ccc([C@H](O)C/N=C/c2cc(Cl)ccc2O)cc1 32070564 ACRPRCUYRVUTLY-TWIVVOHQSA-N 289.762 3.507 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(F)c2)cc1 34713852 TWLMXYRTHBEUIY-TWGQIWQCSA-N 251.260 3.593 30 20 CHED CCC1CCC(Nc2cccc(OCC#N)c2)CC1 37069500 ZAFHHLPRCBAABI-UHFFFAOYSA-N 258.365 3.970 30 20 CHED CC(C)N(Cc1cccs1)C(=O)c1ccc(C#N)cc1 42355753 BADTYJVBJNGBDK-UHFFFAOYSA-N 284.384 3.671 30 20 CHED CCO[C@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 42425035 YNSORVUEAWWMCC-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED Cc1cc([C@H](C)NC(=O)c2cccc(CC#N)c2)c(C)s1 49675561 LHMONBBUJIXRPR-LBPRGKRZSA-N 298.411 3.922 30 20 CHED CC(C)CN(CCC#N)Cc1c(F)cccc1Cl 49800731 LYJVFGTVQFNWKS-UHFFFAOYSA-N 268.763 3.851 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc[nH]1 57883750 SZUWGVOYOVFEBH-UHFFFAOYSA-N 280.780 3.558 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC3(CCCC3)CC2)n1 62959426 LEOXMXFIFOYPMC-UHFFFAOYSA-N 269.392 3.731 30 20 CHED CCCc1ccc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)cc1 63235515 HTTKSCBKIKUIKI-INIZCTEOSA-N 293.370 3.536 30 20 CHED Cc1ccsc1[C@H](C)NCc1cccc(C#N)c1 70091577 FQDOGYUMFDTFMC-LBPRGKRZSA-N 256.374 3.779 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 74294472 NKXDZDBBRDXXHC-CQSZACIVSA-N 280.371 3.892 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC=CCC1 77283669 BTQWYDDDRIMGGZ-CQSZACIVSA-N 299.374 3.576 30 20 CHED C[C@@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 78835885 NKJXPJWDIRDSNZ-PSASIEDQSA-N 269.270 3.573 30 20 CHED CC(C)N(C(=O)c1cccc(SCC#N)c1)C(C)C 79469406 AVHJVMSUKLMNKF-UHFFFAOYSA-N 276.405 3.561 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C#N)c1 81179488 XHOILIGMHIIAQK-BBRMVZONSA-N 270.376 3.599 30 20 CHED COc1c(Cl)cccc1NC(=O)c1cc(C#N)cs1 84085928 QIYINQHFWCKHIO-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 84600798 GAFINYQOVFSSFV-DYVFJYSZSA-N 280.371 3.608 30 20 CHED CC[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 85065481 URPFIVZNXCLNFU-IUODEOHRSA-N 260.356 3.756 30 20 CHED CN(Cc1csc(Br)c1)CC1(CC#N)CC1 88259373 PTPFMLWWBMQRFM-UHFFFAOYSA-N 299.237 3.636 30 20 CHED CN(CC#N)C(=O)c1ccc(CSc2ccccc2)cc1 101515670 QMXIBOQNZCPANH-UHFFFAOYSA-N 296.395 3.574 30 20 CHED C=CCn1c(SCC(F)F)nnc1-c1cccc(C)c1 112770693 PIXOKXKJFJVHPW-UHFFFAOYSA-N 295.358 3.797 30 20 CHED C=CCS[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 114757509 HKXQETOLXLQIDM-QWHCGFSZSA-N 277.433 3.734 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CCCC(C)(C)C)C1 116813278 YMHKOBZVAWYDGZ-BBRMVZONSA-N 264.413 3.791 30 20 CHED C=C(C)CNCc1ccc(OC(F)F)c(Cl)c1 119629290 XFODCCWWZPOTSN-UHFFFAOYSA-N 261.699 3.607 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](CC)c1cccc(OC)c1 119775167 RIHVKJVDNBJENX-CZUORRHYSA-N 292.375 3.671 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc(F)cc1F 123178891 QIBKVWICWMLTCE-NSHDSACASA-N 282.334 3.633 30 20 CHED CC1(CC(=O)N(CC#N)C2CCCC2)CCCCC1 124729805 IIDKYNZBWGURPC-UHFFFAOYSA-N 262.397 3.642 30 20 CHED CCOc1cccc(CN(C)Cc2cccc(C#N)c2)c1 127289485 WFZWGDYPOQOEOU-UHFFFAOYSA-N 280.371 3.589 30 20 CHED Cc1cnc(CNc2ccccc2S[C@@H](C)CC#N)o1 127933287 PVDWOCYURBNZKJ-LBPRGKRZSA-N 287.388 3.989 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](CC)SC)c1 129327514 FXBNFGIOEDBUTE-AWEZNQCLSA-N 279.405 3.722 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2CCC(C)(C)CC2)n1 131921545 AUACPZXHFDLMPC-LBPRGKRZSA-N 276.405 3.844 30 20 CHED N#Cc1c(F)cccc1OCc1cc(-c2ccco2)on1 132148086 OQAHZOBZUVGZPV-UHFFFAOYSA-N 284.246 3.524 30 20 CHED C=C[C@@H](CC(=O)N(CC)CC1CC1)c1ccccc1 134368984 AWVWABSIATVJGV-HNNXBMFYSA-N 257.377 3.605 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 134891771 LBUKABHQHXXURL-KRWDZBQOSA-N 286.375 3.576 30 20 CHED CCC[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)C(C)C 135132962 YJFQGHQDXMSDCJ-INIZCTEOSA-N 272.392 3.589 30 20 CHED CCCCCCC[S@@](=O)c1ccc(C(C)=O)cc1OC 137003145 RVUZDIAPWPGCLQ-FQEVSTJZSA-N 296.432 3.976 30 20 CHED C=CCCCCCN(C)[C@H](C)c1nc(C2CC2)no1 150881379 KUUSGWFUMUQCOG-GFCCVEGCSA-N 263.385 3.686 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H](C)c1ccccc1F 153631960 OWKMQDLYQGASTK-CYBMUJFWSA-N 298.361 3.899 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C#N)s2)c(O)c1 156705167 ZQHIUNRNYYTKDS-FNORWQNLSA-N 269.325 3.530 30 20 CHED C[C@H](c1cccs1)N(C)Cc1cc(F)ccc1C#N 158511734 XYROJIHHOLVRIW-LLVKDONJSA-N 274.364 3.952 30 20 CHED N#Cc1ccc(N[C@H]2CCOC3(CCCC3)C2)c(F)c1 158869339 OVUARUHFEYICSR-ZDUSSCGKSA-N 274.339 3.601 30 20 CHED CCn1nc(C)c(/C=C2/CCCC(C)(C)C2=O)c1C 159003149 XPUNBJMPCUYQLR-RAXLEYEMSA-N 260.381 3.682 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1sccc1C#N 160193359 VETPYQWHOPJUGF-UHFFFAOYSA-N 276.748 3.834 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)cc1Cl 160430132 LQKSSUQVUBGJKD-UKRRQHHQSA-N 276.767 3.581 30 20 CHED C=CCC(CC=C)C(=O)N1c2ccccc2OC[C@H]1C 160909197 YJKHVMMLLYHBOS-CYBMUJFWSA-N 271.360 3.569 30 20 CHED CN(Cc1ccccc1F)Cc1ccc(C#N)cc1Cl 162874485 HFGMSTSJVRUWOR-UHFFFAOYSA-N 288.753 3.983 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(CC#N)c2)C1 171514530 UFHMBMMCPSIDOC-WBVHZDCISA-N 284.403 3.697 30 20 CHED CC(C)(C)c1ncc(/C=C/c2ccc(C#N)cn2)s1 172522737 CWZXFBYCJNENDP-VOTSOKGWSA-N 269.373 3.878 30 20 CHED CC(C)N(C(=O)[C@@H](C)Sc1ccccc1C#N)C(C)C 172679958 UEQHZDMHUPFMDJ-CYBMUJFWSA-N 290.432 3.684 30 20 CHED C#CCCCNC(=O)c1sc2ccccc2c1Cl 172945040 HHCDSRGZASVFLJ-UHFFFAOYSA-N 277.776 3.698 30 20 CHED COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1C#N 173014440 NUYFGTUGZMYXHP-GDNBJRDFSA-N 289.334 3.779 30 20 CHED CCC[C@]1(C)CCCN(C(=O)NCc2cccc(C#N)c2)C1 173790426 MFMOGCNLQWNHIQ-GOSISDBHSA-N 299.418 3.670 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@H]2CCC[C@@H]21 174295349 OFQXPQHZIOQIFF-ZBFHGGJFSA-N 285.387 3.656 30 20 CHED C#C[C@@H](C)OC(=O)c1csc(-c2cccc(Cl)c2)n1 174455067 OUPCWQGHIBOOOE-SECBINFHSA-N 291.759 3.642 30 20 CHED C=CCOc1ccc(OC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1 174755344 UNERYKIAQPFRCF-HIFRSBDPSA-N 290.359 3.505 30 20 CHED C[C@@H](C(=O)OCCCC#N)c1ccc2ccccc2c1 176249613 LKJVVTNQFGAVLY-CYBMUJFWSA-N 267.328 3.790 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C#N)cs2)cc1[N+](=O)[O-] 176837305 GNFZCGFFJBKSGY-SNAWJCMRSA-N 298.323 3.733 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(Cl)s1 176937567 ROJPKZGODAFWMG-UHFFFAOYSA-N 269.797 3.786 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccccc2F)c1 176953039 SZYXFOQOCFAZGF-MDZDMXLPSA-N 270.303 3.868 30 20 CHED N#Cc1ccc(CNc2cccc(COCC3CC3)c2)o1 177556727 FNIUBBFWRRZSCL-UHFFFAOYSA-N 282.343 3.690 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)/C=C/c2ccco2)n1 177742235 HOIZJSZGSYHWQA-FYJFLYSWSA-N 286.356 3.749 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(F)c2)n1 177756579 SQBNXZBVTKSIRM-LBPRGKRZSA-N 288.347 3.896 30 20 CHED C=CCOc1ccc(CN2CCCO[C@H](C)C2)cc1Cl 179394003 UGKQNQFORKFCRE-CYBMUJFWSA-N 295.810 3.516 30 20 CHED C=C[C@H](CC(=O)N1CCn2cccc2[C@@H]1C)c1ccccc1 179444159 AMUYSMMJOPVXMN-JKSUJKDBSA-N 294.398 3.751 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(Cl)cc1O 179638025 QLJFFGJCFSFRBX-VMPITWQZSA-N 298.729 3.569 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 179676315 CQISCSMWJAIWHS-LBPRGKRZSA-N 279.330 3.678 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC(C)C)cc1 179766770 CMOWQBSYUWTKLA-UHFFFAOYSA-N 259.349 3.606 30 20 CHED C=C(C)CN(C)C(=O)CCc1ccc(C(C)C)cc1 180394992 XELPJYCCJUDOBX-UHFFFAOYSA-N 259.393 3.777 30 20 CHED C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)Oc1ccccc1F 181829219 JAJOUXULVFSIIW-KBPBESRZSA-N 298.361 3.815 30 20 CHED CC(C)(CCC(=O)OCC1(C#N)CCC1)c1ccccc1 183862444 BLTUCNHDUBGASQ-UHFFFAOYSA-N 285.387 3.981 30 20 CHED CC[C@@H](CC#N)NC(=O)CCc1ccc(CC(C)C)cc1 183972003 RIODXOOCOVIYAT-KRWDZBQOSA-N 286.419 3.626 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@H]1CCC[C@@H]1C 184772216 VHSMWPDSXJWMEK-WCQYABFASA-N 256.349 3.632 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)c(Cl)c1 184880695 GNEWAEGIAJUYNP-UHFFFAOYSA-N 253.704 3.611 30 20 CHED Cc1ncsc1CN(C)[C@@H](C)c1cccc(C#N)c1 187675336 VPRMTAROGCKYHE-LBPRGKRZSA-N 271.389 3.516 30 20 CHED COCCc1ccccc1NCCCC(C)(C)C#N 188012893 DIEQQXLABYKNGY-UHFFFAOYSA-N 260.381 3.617 30 20 CHED C#Cc1cccc(N(C(=O)CC2CC(OCC)C2)C(C)C)c1 188759791 DSUVAOHMUVPSPH-UHFFFAOYSA-N 299.414 3.615 30 20 CHED N#CCCCSCc1ccc(OC(F)F)cc1 190920503 YUOZEPPMGBFSRM-UHFFFAOYSA-N 257.305 3.825 30 20 CHED C=CCCC[C@H](C)NCc1nccn1-c1ccccc1 191561936 GNRYOQPGYGJVQH-HNNXBMFYSA-N 269.392 3.707 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OC(C)C)cc1 192476349 UJWWEGCZTWRDMJ-UHFFFAOYSA-N 274.364 3.680 30 20 CHED CC1CCN(c2nc(-c3ccc(C#N)cc3)cs2)CC1 193757315 OVTBRTJDVUPTOI-UHFFFAOYSA-N 283.400 3.918 30 20 CHED COC[C@H](/N=C/c1ccccc1O)c1ccc(Cl)cc1 195213197 XCDCUFIMWBLZPJ-ZNBBLSJYSA-N 289.762 3.852 30 20 CHED C=CCSCCN[C@@H](CC)c1cccc(F)c1 219183932 QGXCGWDIGPHOET-AWEZNQCLSA-N 253.386 3.786 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCC[C@H](O)C1 229730865 XHKJHLGOPQCPJY-GWCFXTLKSA-N 298.308 3.540 30 20 CHED CC(C)(C#N)CCCCS(=O)(=O)c1cccc(Cl)c1 232523092 KSDSTWHDXNFXFP-UHFFFAOYSA-N 299.823 3.834 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1ccccc1Cl 232525945 OARHLNPTOFVNHJ-KRWDZBQOSA-N 269.797 3.529 30 20 CHED C=CCN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 246272803 RXSAOVNXHLTBMK-IAGOWNOFSA-N 259.393 3.541 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc2c(c1)CCO2 255140647 XVZWCQWFTBUELK-RQOWECAXSA-N 270.353 3.888 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)C1CCCCC1 255838711 AAWWMJWKUYZSGY-SREVYHEPSA-N 266.287 3.833 30 20 CHED Cc1cc(C)c(C#N)c(SCc2sc(C)nc2C)n1 266026552 QQFMXDBLYODQPP-UHFFFAOYSA-N 289.429 3.936 30 20 CHED C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@H]1c1ccccc1 267191006 HGNIONJEAYEWNZ-BDJLRTHQSA-N 283.762 3.804 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)Cc1cccs1 268173600 QVXCIAOPLPBGGZ-GFCCVEGCSA-N 263.406 3.564 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C/c1ccc(C#N)cc1 268562166 JHYQOKZJVLAKIA-MDZDMXLPSA-N 295.386 3.550 30 20 CHED C#CCCCCC(=O)N1CCCC[C@H]1c1ccccc1 273855194 KWCDZDYZGYMNBN-KRWDZBQOSA-N 269.388 3.934 30 20 CHED C=CCOc1ccc(COC(=O)CCC(F)(F)F)cc1 274002771 FHOWPENPPSZDRQ-UHFFFAOYSA-N 288.265 3.637 30 20 CHED CSCc1ccc(-c2noc(C3(C#N)CCCC3)n2)cc1 274006187 VMTMFBZXLAWGNE-UHFFFAOYSA-N 299.399 3.935 30 20 CHED Cc1cnc(CSc2nc(C(F)(F)F)ccc2C#N)o1 275047960 XLVGVJYYDPTTEW-UHFFFAOYSA-N 299.277 3.561 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccc(F)cc1Cl 276090090 MLDBWCARPXVYAX-SNVBAGLBSA-N 284.762 3.758 30 20 CHED C=CCCN(C)C(=O)NCC1(Sc2ccccc2)CC1 276287766 NPAANYGQFFXNGC-UHFFFAOYSA-N 290.432 3.529 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1ccccc1 277200770 GNFAWXFMYJPTNJ-INIZCTEOSA-N 277.408 3.980 30 20 CHED CC(C)CN(C(=O)CC(C)(C)C#N)c1ccccc1 278578871 RPPWLJPQQMKFCP-UHFFFAOYSA-N 258.365 3.615 30 20 CHED C=C(Cl)CN[C@@H](CCCOC)c1ccc(F)cc1 282191878 GGNAKZMUAOOWPL-AWEZNQCLSA-N 271.763 3.636 30 20 CHED C=C(CN[C@@H]1CCCC12CCOCC2)c1ccccc1 282362861 WFCSTGPDBRZZMW-QGZVFWFLSA-N 271.404 3.639 30 20 CHED C=C(Cl)CN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 282956120 CFRQPJMKYSSLIS-GJZGRUSLSA-N 293.794 3.510 30 20 CHED CC#CC(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C 283102239 GFMPHEICTLKUNM-AWEZNQCLSA-N 283.293 3.542 30 20 CHED C=CCCCCCCNC(=O)CSCc1ccncc1 287229421 WHHXGQPFWGHKEI-UHFFFAOYSA-N 292.448 3.568 30 20 CHED C=CCC1(C(=O)Oc2ccc3c(c2F)CCC3=O)CCC1 288747979 QJBLQBASMDLPER-UHFFFAOYSA-N 288.318 3.606 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccccc2CC)no1 289044638 QZDOZIWXLFEMNE-HUUCEWRRSA-N 284.359 3.748 30 20 CHED C=CCSCCCCOc1c(OC)cccc1OC 290744171 HROBNBQIHWGPCR-UHFFFAOYSA-N 282.405 3.782 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1ccc2ccccc2c1O 295323965 SWSDTJQBEAPPEC-CYBMUJFWSA-N 283.371 3.559 30 20 CHED C=CCCc1noc([C@@H](C)CCOc2ccccc2)n1 297439873 WAGCWARMMDFVPQ-ZDUSSCGKSA-N 272.348 3.761 30 20 CHED N#Cc1c(NC(=O)CC2CC2)sc2c1CCCCC2 298346327 MUWXGRAXMJFBEB-UHFFFAOYSA-N 274.389 3.627 30 20 CHED Cc1cc(Nc2ccc(C#N)cn2)ccc1OC(C)C 301431903 QOQQDLVVXDFEDV-UHFFFAOYSA-N 267.332 3.793 30 20 CHED C=CCN(CC=C)C(=O)Cc1ccc(CC(C)C)cc1 302688107 MBOFIUNYLSIXDV-UHFFFAOYSA-N 271.404 3.628 30 20 CHED Cc1ccc(OCc2ccc(F)cc2C#N)c(C)c1 303134248 BTVJBBIGSKKBKH-UHFFFAOYSA-N 255.292 3.893 30 20 CHED Cc1cc(C(=O)Nc2cccc(CC#N)c2)ccc1Cl 313456447 YXCBQUUJPWZPIH-UHFFFAOYSA-N 284.746 3.967 30 20 CHED COc1ccc([C@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 315843359 WDJCUJKWCRBUIV-NSHDSACASA-N 297.314 3.648 30 20 CHED Cc1coc2ccc(N=C(O)N[C@H]3CSC3(C)C)cc12 328728218 DRWSDDJRSOSGJE-ZDUSSCGKSA-N 290.388 3.770 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](/N=C(/O)[C@H]1CCCC(O)=N1)C2 328791790 MGRKBOZDVGIBBM-LGSVPQMISA-N 278.396 3.667 30 20 CHED C[C@H]1CC(=O)CC[C@@H]1C(O)=Nc1ccc2ccccc2n1 328944166 UQIMJIHIYHGQPD-FZMZJTMJSA-N 282.343 3.828 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/[C@H](C)c2nc3ccccc3[nH]2)CCC1=O 328945238 VAUFDVKTDAKWJW-IJLUTSLNSA-N 299.374 3.586 30 20 CHED CC(C)C[C@@H]1C[C@H](/N=C(/O)[C@@H]2CCC(=O)C[C@@H]2C)CCO1 329225255 GCHXNVJMFAPUJE-SJXGUFTOSA-N 295.423 3.542 30 20 CHED OC(=Nc1ncn(C2CCCCC2)n1)[C@H]1CCCCS1 329559985 MCRNVQPOLJICKS-GFCCVEGCSA-N 294.424 3.657 30 20 CHED Cc1nnccc1N=C(O)[C@H]1CCCC[C@@H]1C(F)(F)F 329573504 VDXZRIHSRWHSQX-UWVGGRQHSA-N 287.285 3.742 30 20 CHED O/C(=N/CCOc1ncccc1Cl)[C@@H]1CC12CCCC2 329979671 KAZRNAIUFZIGAB-NSHDSACASA-N 294.782 3.651 30 20 CHED Cc1cccnc1C(O)=Nc1ncc(C(C)(C)C)s1 331145846 MAZRFCIOEKADDU-UHFFFAOYSA-N 275.377 3.780 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1ccoc1Cl 331223253 WIRKAUJYFGIQLJ-LBPRGKRZSA-N 254.717 3.566 30 20 CHED CCSCC[C@@H](C)/N=C(/O)Nc1c(C)cc(C)nc1C 331340252 SBDRSPYCPJCPQD-LLVKDONJSA-N 295.452 3.864 30 20 CHED CCC1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CCC1 332496495 VBNDJUYHSYFZGL-UHFFFAOYSA-N 284.403 3.798 30 20 CHED N#Cc1cccnc1N1CC[C@H]1c1ccc(Cl)cc1 334186542 FXTKFDZGHFNTGV-AWEZNQCLSA-N 269.735 3.558 30 20 CHED C[C@H](C(=O)N1CCC(C)(C#N)CC1)c1cc2ccccc2o1 334301183 WUVVIPRQTJORAB-ZDUSSCGKSA-N 296.370 3.689 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cncs1 334922658 QQWIFZMYHVQMOY-NHYWBVRUSA-N 283.400 3.743 30 20 CHED N#CCCC1CCN(C(=O)c2ccc(F)cc2Cl)CC1 335385385 XUCHLDAAGKYBNK-UHFFFAOYSA-N 294.757 3.635 30 20 CHED CN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCC(C)(C)C1 336132585 UKEZZUPJTBOWSM-OAHLLOKOSA-N 285.391 3.795 30 20 CHED N#C[C@H]1CC[C@H](NCCCc2c[nH]c3ccc(F)cc23)C1 337385911 CXWLSMYWTWGUNS-WFASDCNBSA-N 285.366 3.521 30 20 CHED C[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 337559743 UMLWAGYZZFCORT-OAUYIBNBSA-N 254.377 3.714 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(N2CCCC2)cc1C 341427679 QXKPQAHWSOMELN-UHFFFAOYSA-N 287.407 3.635 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1CCCc2sccc21 341619024 FPRLIXCYYLXUNY-AAEUAGOBSA-N 263.406 3.639 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(-c2ccccc2)c1CC 341660362 ZVATUSVTZDSPMT-AWEZNQCLSA-N 297.402 3.519 30 20 CHED C=CCCN(C)C(=O)c1cc(F)c(C(F)(F)F)cc1F 342913688 VDVGVZFRBMVNKL-UHFFFAOYSA-N 293.235 3.632 30 20 CHED N#Cc1cccnc1Oc1cnc2ccc(Cl)cc2c1 343076372 IUWPXFBPGJCMEU-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CC(C)(C)CN(Cc1ccccc1)C(=O)C1(C#N)CCC1 346059016 QKKNPNHEUHKDQN-UHFFFAOYSA-N 284.403 3.755 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 347036360 LWJSFGVMBGXVID-KBPBESRZSA-N 298.411 3.998 30 20 CHED C=CC[C@H]1N(C(=O)c2ccncc2Cl)CCCC1(C)C 347458430 CTTMMSQKJNCVKZ-CQSZACIVSA-N 292.810 3.942 30 20 CHED C=C(C)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 351768591 XUDNJDGVMKBEQZ-UHFFFAOYSA-N 260.337 3.525 30 20 CHED N#Cc1cccc(CNCc2ccc3occc3c2)c1 352758525 ZKQZZUZQXMGODL-UHFFFAOYSA-N 262.312 3.594 30 20 CHED C=CC1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 353600570 YNHAYOLCMSHTLQ-UHFFFAOYSA-N 293.794 3.509 30 20 CHED C=CCC(C)(C)C(=O)N1Cc2ccc(OC)cc2C2(CC2)C1 357612690 BDHKUIGTWXBAIW-UHFFFAOYSA-N 299.414 3.671 30 20 CHED CCC(CC)CN(CCC#N)CCOc1cccc(C#N)c1 362186666 ZZIVLOVUSJDSAZ-UHFFFAOYSA-N 299.418 3.589 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 362679767 MLDIICLLIMLOKF-SNVBAGLBSA-N 287.388 3.815 30 20 CHED C#CCC1(C(=O)N2CC(C)(C)[C@H]2C2CC2)CCCCC1 366531254 NESFBBBEYCPZCP-OAHLLOKOSA-N 273.420 3.607 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 366712284 VEYLQWSGZHARFY-MQMHXKEQSA-N 290.794 3.642 30 20 CHED C#CC[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 367793362 OEAVQBGAOAMLEK-XYJFISCASA-N 296.414 3.583 30 20 CHED C=CCCCSCc1cc(Br)no1 379388704 JXLXDPRVJFUUNV-UHFFFAOYSA-N 262.172 3.637 30 20 CHED N#CCc1ccc(COc2ccc3[nH]ccc3c2)cc1 399143959 VXVPKRSGVGCBHB-UHFFFAOYSA-N 262.312 3.813 30 20 CHED N#Cc1ccc(N2CC[C@H](C3CC3)C2)c(Br)c1 400130876 SBLQYTVFWGQYIR-LBPRGKRZSA-N 291.192 3.557 30 20 CHED COC(=O)c1cc2ccc(OCCC(C)(C)C#N)cc2o1 410312269 BBVIKCYANUTNAR-UHFFFAOYSA-N 287.315 3.538 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1C[C@H](C)O[C@H](C)C1 410350825 URNZROWQYBPQPA-MIFYACCESA-N 287.403 3.947 30 20 CHED C=CCCC1(C(=O)N2CCCc3c(OC)cccc32)CC1 410975551 NEQLVGUUFXMVPR-UHFFFAOYSA-N 285.387 3.721 30 20 CHED CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCCC1(C#N)CCCCC1 411791795 HWANFIYFLNFFME-OAGGEKHMSA-N 290.451 3.644 30 20 CHED CC(C)(CNc1ncc(C#N)cc1F)c1cccs1 413146765 UQHOFOPAPIUVJR-UHFFFAOYSA-N 275.352 3.544 30 20 CHED Cc1cccc(C[C@@H](NCC(C)(C)CC#N)C2CC2)c1 414173368 WXMPORVTWABDME-QGZVFWFLSA-N 270.420 3.846 30 20 CHED C=CCC1(NC(=O)Nc2cc(N)ccc2F)CCCCC1 415927445 WOKYNVLIBQPLMY-UHFFFAOYSA-N 291.370 3.808 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cccc(SC)n2)no1 420527069 IIGMDVWDNAZHKL-CQSZACIVSA-N 275.377 3.707 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 424677061 IADGNQHSDBHITE-ZIAGYGMSSA-N 281.440 3.546 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCCOc2c(F)cccc21 424796002 VPLGZVDTWKSHNZ-CQSZACIVSA-N 291.366 3.758 30 20 CHED CS[C@@H](C)CCC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425123673 DSVLAWIJTCCOFA-QWHCGFSZSA-N 290.432 3.609 30 20 CHED C=CCC1(C(=O)NCc2nc3ccccc3o2)CCCCC1 425312644 KFUVGSJELGGQOD-UHFFFAOYSA-N 298.386 3.971 30 20 CHED N#Cc1ccc(NC(=O)NC[C@@H]2CC=CCC2)c(Cl)c1 426149141 MCQUXIMQMFZGHO-LLVKDONJSA-N 289.766 3.689 30 20 CHED C=CCC[C@H](N[C@@H]1CCN(c2ccccc2F)C1)C1CC1 426292141 DIDIWTAXYYLXLT-WBVHZDCISA-N 288.410 3.739 30 20 CHED N#Cc1c(F)cccc1COc1ccc([C@@H]2CCOC2)cc1 427516952 QKGREKXEWPNRFW-CQSZACIVSA-N 297.329 3.780 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)cc2F)c1C 428710532 OXBUUBQZUVMWPA-UHFFFAOYSA-N 282.362 3.946 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2cccc(F)c2C1 435891364 DLKAOGNZJUWYPW-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC(C)(C)C[C@H]1C 436296893 TYECRAGCPYIHLK-FPCVCCKLSA-N 265.441 3.772 30 20 CHED C=CCC[C@H](NCCCN1CCc2ccccc2C1)C1CC1 439085624 NKIIPQSCLLWFKK-FQEVSTJZSA-N 298.474 3.769 30 20 CHED CS[C@H]1CCCCN(Cc2cn3ccccc3c2C#N)C1 441144952 VKQPJOBTNZLKRR-HNNXBMFYSA-N 299.443 3.528 30 20 CHED CC(C)(CN[C@@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 442782871 OXFCKXBFCUGVQG-IUODEOHRSA-N 276.811 3.899 30 20 CHED C=CCCCCNC(=O)N1CCCCC(C)(C)C1 446642692 QDTXMQBOPCAYOL-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CCN(Cc1cnn(C=C)c1)CC1CCCCC1 447734963 AOZBRJMCYVKZKO-UHFFFAOYSA-N 259.397 3.552 30 20 CHED C=CCCCN[C@H]1CC2(CCC2)Oc2ccccc21 448028567 OSXZBSOTLSCVSR-HNNXBMFYSA-N 257.377 3.989 30 20 CHED CC(C)c1ncsc1C(=O)N[C@H](C)c1ccc(C#N)cc1 448663672 IBZWGCJDQSDDDH-LLVKDONJSA-N 299.399 3.629 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)c2c1CCC2 448914237 BDBGMZFJXKJQAW-UHFFFAOYSA-N 298.430 3.886 30 20 CHED COCCC1(CNC2CCC(C)(C#N)CC2)CCCC1 449183855 LNFLOQARNKJJSG-UHFFFAOYSA-N 278.440 3.645 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](c1nccn1C)C1CC1 449323343 ULTXXOKUZQYXAI-UKRRQHHQSA-N 261.413 3.596 30 20 CHED C=CC(C)(C)CNC1CCN([C@H]2CCCC[C@H]2C)CC1 449484147 FOELHYUQGKKZAK-WBVHZDCISA-N 278.484 3.831 30 20 CHED CO[C@@H](Cc1ccccc1)CN(CCC#N)CC(C)(C)C 450429796 NGWJZRJCCKNOQG-KRWDZBQOSA-N 288.435 3.506 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)c1cccc(C2CC2)c1 452186293 FRQBZZAZGNQWPI-LLVKDONJSA-N 293.370 3.563 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1C(C)(F)F 452688930 ZYXRZEVOTVHTHS-NSHDSACASA-N 283.318 3.718 30 20 CHED C=C(C)CCNC(=O)Cc1cccc(Cl)c1Cl 452720874 YAHCCCCPZQQNIS-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C=C(C)CCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 452722465 JZIYEZVHXBHFNA-KGLIPLIRSA-N 263.768 3.526 30 20 CHED C=CCCc1noc(CCCOc2ccccc2C)n1 453228612 AKBKFFWPTJSOTA-UHFFFAOYSA-N 272.348 3.508 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(OCCOC)cc1 453313298 WGIMPQWQWDTEGL-CQSZACIVSA-N 277.408 3.575 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(NC(=O)CCC)c1 454501477 SYQLSWMJETXWSX-UHFFFAOYSA-N 289.379 3.513 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 455143520 QAHGWISZWRJRSA-UHFFFAOYSA-N 291.351 3.545 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1ccccc1Cl 455364614 JOPQZIMGHQNFDS-UHFFFAOYSA-N 280.799 3.694 30 20 CHED C=CCC1(NC(=O)CCC2CCOCC2)CCCCC1 456359214 BWAYPVAAGDXTOD-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=C(CC)CNC(=O)c1ccc(CN(CC)C(C)C)cc1 456823995 CJZDRTCSJMBMDI-UHFFFAOYSA-N 288.435 3.613 30 20 CHED C=CCCC1(C(=O)N2CCc3cccc(Cl)c3C2)CC1 458012315 KSQHNJMXMHICEM-UHFFFAOYSA-N 289.806 3.971 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 458041664 MHZJHJLXCZMDND-HZPDHXFCSA-N 284.403 3.626 30 20 CHED C[C@@]1(NC(=O)C[C@H](CC#N)c2ccccc2)CC=CCC1 458345719 NBQMKYFZJQKAFZ-FUHWJXTLSA-N 282.387 3.689 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@H]1CCC[C@H]1c1ccccc1 458376553 DWJCDPHPWCKDMP-HOTGVXAUSA-N 299.418 3.562 30 20 CHED COc1ccc(CC[C@@H](C)NCC(C)(C)CC#N)cc1 459684427 CKILSGZRKNKGOA-CQSZACIVSA-N 274.408 3.546 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 462062373 XKPDZEMULBPTGC-RDJZCZTQSA-N 298.430 3.946 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)C[C@@H](C)CC 463894740 IKIWYESXUBMZBS-KBPBESRZSA-N 275.392 3.806 30 20 CHED CC#CCCCC(=O)N(Cc1ccc(CC)cc1)C1CC1 464554575 NAAKPGWTFZJROD-UHFFFAOYSA-N 283.415 3.934 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 464752237 CITWQDDIGONCFU-MNOVXSKESA-N 289.404 3.573 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Cc1ccc(Cl)cc1 466635022 VROGPVPREXWSFZ-GFCCVEGCSA-N 265.784 3.553 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C 467065891 RUBKYMZMHJYLHZ-CJNGLKHVSA-N 292.398 3.657 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C1CC1 470635692 JZWHZNHEYZUOFH-IAGOWNOFSA-N 269.388 3.637 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC1CCC(C)(C)CC1 474152643 VNYJFPAIHANKKA-QGZVFWFLSA-N 281.440 3.548 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2c(F)ccc(F)c21 475903415 GHMLVSJDPMVGBD-INIZCTEOSA-N 279.330 3.846 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H]1CCC[C@@H](OC)C1 476091009 NGNBEBXMAAETBX-JKSUJKDBSA-N 281.440 3.787 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)CC1 477447272 UNQVGJWNZHGPTB-JKSUJKDBSA-N 278.440 3.809 30 20 CHED C=C(CC)COc1ccc2c(c1)C(=O)CC(C)(C)O2 478841398 ZPGBQGYVJUOCTL-UHFFFAOYSA-N 260.333 3.775 30 20 CHED CC#CCCNC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 483157355 OVKOCHMOSNINDG-MRXNPFEDSA-N 286.419 3.795 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2ccccn2)cc1 485157755 CAOARAOLIORYFS-UHFFFAOYSA-N 278.355 3.881 30 20 CHED Cc1csc([C@H](NCc2ccc(C#N)c(C)c2)C2CC2)n1 488162429 XCRGWMFFFCRMBI-MRXNPFEDSA-N 297.427 3.873 30 20 CHED C=CCC[C@H](C(=O)NC[C@H](OC)C(C)C)c1ccccc1 489712938 WVSYOTQQQNHLSL-IRXDYDNUSA-N 289.419 3.524 30 20 CHED C=C(C)CNC(=O)c1cccc(OC2CCCCC2)c1 490061294 KIGXNYBGZDRWDO-UHFFFAOYSA-N 273.376 3.704 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCOc1cccc(F)c1 490108056 OIIAMXDWGYJLLS-CQSZACIVSA-N 298.361 3.769 30 20 CHED C=CC[C@H](C)NC(=O)N(C)C/C(C)=C/c1ccccc1 494828880 JCSVDEIVMPBZHD-ZQHYZAEZSA-N 272.392 3.696 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)Cc1cccc2ccccc12 499486125 TWBAKKIPHJRUIK-LJQANCHMSA-N 294.398 3.827 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)CC1CCCC1 508491986 VJOBXQSBVUVKAR-CYBMUJFWSA-N 276.428 3.604 30 20 CHED Cc1c(C#N)cccc1-c1nc(-c2ccc(F)c(F)c2)no1 511177751 SCIHSXXNPQFJJB-UHFFFAOYSA-N 297.264 3.862 30 20 CHED CC1=CCCN(C(=O)c2sc3ccc(C#N)cc3c2C)C1 511844866 UADJMWJEZXSMMU-UHFFFAOYSA-N 296.395 3.874 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCC1CCC(F)(F)CC1)CC2 517265484 HIWROKUJNCCNQN-INIZCTEOSA-N 290.357 3.961 30 20 CHED C=CCOc1cccc(NC(=O)NCC2(C)CCCC2)c1 521783725 DMWCWBKVOLGUQR-UHFFFAOYSA-N 288.391 3.953 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1scc(C)c1C#N 521893859 ASOXBXSDQWOMOC-NSHDSACASA-N 279.409 3.971 30 20 CHED C=CCN(CC=C)C(=O)c1ccnc(Oc2ccccc2)c1 522828481 OXNYODYYWFUXHE-UHFFFAOYSA-N 294.354 3.688 30 20 CHED N#CC[C@@H](CC(=O)Nc1cccc(O)c1F)c1ccccc1 527002223 CIDMDLAJZBPLGE-ZDUSSCGKSA-N 298.317 3.557 30 20 CHED N#C[C@H]1CC[C@H](N2CCc3cccc(C(F)(F)F)c3C2)C1 528796185 KSHZKESOSSTCOA-AAEUAGOBSA-N 294.320 3.756 30 20 CHED Cc1cn(Cc2c(Cl)ccc3cccnc23)cc1C#N 531578027 RKPMETVGBWGWRN-UHFFFAOYSA-N 281.746 3.918 30 20 CHED C=CCN(Cc1ccc2nc[nH]c2c1)Cc1cccs1 534334668 GLOKGMSEFYWCCS-UHFFFAOYSA-N 283.400 3.813 30 20 CHED C=CCc1cc(CN2C[C@H](C)C[C@H]2CC)cc(OC)c1O 536670863 OHJLZADPGQYTRN-CZUORRHYSA-N 289.419 3.750 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(-c2cnco2)cc1 537230607 NOYLTFDFZFOEDV-CYBMUJFWSA-N 284.359 3.816 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 538124364 IVKPIOOHDXYMLA-APHBMKBZSA-N 275.367 3.790 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1sccc1C 538287424 YYJSIIOQMCMQPH-GFCCVEGCSA-N 266.410 3.601 30 20 CHED CCc1cccc2c1OCC[C@@H]2Nc1nccc(C)c1C#N 544144833 AOHDTVVLMHOZRV-INIZCTEOSA-N 293.370 3.760 30 20 CHED Cc1cccc(C)c1[C@H](C)NCCOc1ccc(C#N)cc1 546228229 IAWOMGWPSJDFAC-INIZCTEOSA-N 294.398 3.905 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)C1 547408163 VARYEIWNBOHWRL-QZDWLRDRSA-N 296.414 3.721 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@H](CC(C)C)C1 549681406 OMOQDBXOYZBIIN-OAHLLOKOSA-N 290.455 3.679 30 20 CHED C=CCC(C)(C)c1noc(CCc2cc(F)ccc2F)n1 551143929 PBLMZGNUUPJPII-UHFFFAOYSA-N 292.329 3.987 30 20 CHED Cc1ccc2snc(C(=O)Nc3ccc(C#N)cc3)c2c1 555118006 VTBGXXRNJDPKQO-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#Cc1cccc(C2(N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)CC2)c1 556409034 OTBNHDXFEJZJFO-LZBKUMLDSA-N 292.426 3.962 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(CSC)cc1 557134056 VPDODXOAUQJANY-UHFFFAOYSA-N 289.444 3.934 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 571911168 FDZMTTXQMSSDLS-UHFFFAOYSA-N 262.740 3.586 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2scc(C)c2C#N)c1 572881364 LKHCFAOCVQQZAJ-LBPRGKRZSA-N 284.384 3.979 30 20 CHED C=CCCCCS(=O)(=O)c1cccc(C(F)(F)F)c1 578594640 WBAQVIJHYFMZOB-UHFFFAOYSA-N 292.322 3.835 30 20 CHED Cc1ccc(CCNc2ccc(C#N)c([N+](=O)[O-])c2)c(C)c1 579047477 FWPUXGWPBIQNIB-UHFFFAOYSA-N 295.342 3.738 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ccncc1C 580761437 RAISVIJMLYGPHK-SFHVURJKSA-N 266.388 3.667 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)[C@@H](C)CCC 581457091 GZPZHLWFQPTJFG-ZDUSSCGKSA-N 276.428 3.747 30 20 CHED C=CCC[C@@H](N[C@@H]1CSC1(C)C)c1ccco1 584129263 RQWBKJYAPSDFRM-DGCLKSJQSA-N 251.395 3.771 30 20 CHED Cc1nsc(N2CCC(C3CCCC3)CC2)c1C#N 587987475 ZUNHMNHQTNBRAW-UHFFFAOYSA-N 275.421 3.730 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCC1CC(F)(F)C1 589949087 DBLVYMLZXKDFAM-HNNXBMFYSA-N 276.330 3.571 30 20 CHED N#Cc1ccc(-c2ccc(OC[C@H]3CCCCO3)cc2)cn1 592986903 MWEXMADRNMAOBO-GOSISDBHSA-N 294.354 3.568 30 20 CHED CC[C@H](C#N)C(=O)N1CCCC[C@H]1c1cccc(C)c1C 593493531 OYBZRGBQIHHPGP-WBVHZDCISA-N 284.403 3.907 30 20 CHED C=CCOc1cccc(CNCC2(SCC)CC2)c1 594984880 QKJNNADUWGPYFF-UHFFFAOYSA-N 277.433 3.627 30 20 CHED CCC[C@H](NCCc1ccc(C#N)cc1)c1ccccn1 595055387 CDQIGDDTGUGYQO-KRWDZBQOSA-N 279.387 3.627 30 20 CHED COc1ccc(N(C)C(=O)CC2(C#N)CCCCC2)cc1 597808500 LXCQKACWMWBGKR-UHFFFAOYSA-N 286.375 3.522 30 20 CHED CCC1CCC(N(C[C@H](O)CC(C)(C)C#N)C2CC2)CC1 598585810 KXDCNLYGZHMPOT-VMBOVVBDSA-N 292.467 3.720 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1C(F)(F)F 599272761 SPJSLXIUMNJIPW-LBPRGKRZSA-N 298.308 3.682 30 20 CHED C=CC1CCN([C@H](C)c2ccc(F)cc2F)CC1 600683433 YGLIEMXUQKJGFH-LLVKDONJSA-N 251.320 3.924 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CC1 600927069 PPVGCXOLFHGALM-QZTJIDSGSA-N 298.430 3.930 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1ccc(Cl)s1 602432849 JKRMFHXBGKNWRW-JTQLQIEISA-N 256.802 3.773 30 20 CHED C[C@@H](CCC#N)CNc1cccc(Oc2cnccn2)c1 602485427 SNAGGIBABANSDM-ZDUSSCGKSA-N 282.347 3.621 30 20 CHED C[C@H](CCC#N)CNc1ccccc1OC(F)F 602490336 SIIFXBGKZRIIHL-SNVBAGLBSA-N 254.280 3.640 30 20 CHED CCO[C@@H](CCNC[C@@H](C)CCC#N)C1CCCC1 602562397 BASUDYOXOWZDET-HOCLYGCPSA-N 266.429 3.501 30 20 CHED C[C@H](CCC#N)CN[C@@H](c1cccc(F)c1)c1ccccn1 602578343 DGYSHQKCKQEKLA-KDOFPFPSSA-N 297.377 3.840 30 20 CHED Cc1ncc([C@H](C)N(C)[C@@H](C)c2cccc(C#N)c2)c(C)n1 602691978 JWQAWALLZYKOOO-KBPBESRZSA-N 294.402 3.719 30 20 CHED C=CC[C@@H](C)NC(=O)NC1CCC(c2ccccc2)CC1 604900831 PGEHQPVEWDMVJD-ODIFPOPNSA-N 286.419 3.977 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1 609034609 YUTFGJRPJMXJMO-GOSISDBHSA-N 292.382 3.699 30 20 CHED COCCN(CCC1CCCC1)Cc1ccc(C#N)cc1 610212972 MZYHICBODGEXKK-UHFFFAOYSA-N 286.419 3.587 30 20 CHED N#Cc1cc(Cl)c(C(=O)Nc2cccnc2)c(Cl)c1 611093262 RTNHYQZVADSZQZ-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(C)c1ccc(C#N)cc1F 611185387 VHISQJIFPGVWAF-LLVKDONJSA-N 276.355 3.732 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCc3c(Cl)cccc32)cc1 611410349 KCFJIQFPIMHZGE-OAHLLOKOSA-N 296.757 3.880 30 20 CHED N#Cc1cc(CN[C@H](CC2CCC2)c2ccccc2)ccn1 611502638 WOSJUDRMIAUDET-LJQANCHMSA-N 291.398 3.974 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 612244145 AZYJBGDABXWKCC-AWEZNQCLSA-N 297.185 3.759 30 20 CHED CCC(C)(CC)C(=O)Nc1ccc(Cl)c(C#N)c1 613396644 MVOISRZVHCUNAH-UHFFFAOYSA-N 264.756 3.976 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CC3CCC2CC3)C1 617778327 DGRJQJLQWBLZJN-GYTBAZASSA-N 261.409 3.627 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccccc1F)C(C)(C)C 622944360 OTIKXMLKJVDNGH-GFCCVEGCSA-N 263.356 3.742 30 20 CHED C[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 638900542 QISSRDKKYZKWQH-FZMZJTMJSA-N 299.361 3.541 30 20 CHED C=CCC(F)(F)c1nc(-c2ccccc2COC)no1 645527847 HSFBBIASININPM-UHFFFAOYSA-N 280.274 3.551 30 20 CHED C=C(C)CN(C)[C@H](C(=O)O)c1cccc(Cl)c1Cl 652430639 SDOKPIDETRHLKI-LBPRGKRZSA-N 288.174 3.627 30 20 CHED C=CCCc1ccccc1NCc1cc(C)nc(C)n1 656653290 KUVUXSZHXVVCLK-UHFFFAOYSA-N 267.376 3.824 30 20 CHED C=CCC1(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CCOCC1 657632126 ACVZGNLDXWOJMN-BPKGMFCQSA-N 275.436 3.526 30 20 CHED C=CCC1(NCc2ccc(OCCOC)cc2)CCCC1 657702235 HUIYISAXRVGINN-UHFFFAOYSA-N 289.419 3.690 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)Cc1ccccn1 658049905 ZKZFTCSWLTYTAY-UXLLHSPISA-N 258.409 3.737 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 664332076 CMSBESGPBIVQEI-CQSZACIVSA-N 286.375 3.709 30 20 CHED C=CCN(CC=C)C(=O)CCCCCc1ccc(O)cc1 673912296 XHTXZZBQBGZXJR-UHFFFAOYSA-N 287.403 3.696 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 674933637 DRVZJWVATHEDGJ-HIFRSBDPSA-N 297.402 3.631 30 20 CHED Clc1cccc(C#CCN2CC[C@@H](c3ccco3)C2)c1 676563242 KZYKIONUOPQIJR-OAHLLOKOSA-N 285.774 3.774 30 20 CHED C=C(C)CNCc1ccc(OC)c(O[C@H](C)CC)c1 682168338 FBGZCRPZEBMTRO-CYBMUJFWSA-N 263.381 3.538 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3C(F)(F)C2)CCC1 682923514 YTGBNBQXJCIBKB-UHFFFAOYSA-N 291.341 3.867 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1cc(C(=O)O)cs1 692188969 CXBXMPIBSIMMAU-SMDDNHRTSA-N 279.405 3.671 30 20 CHED C#CCCCCC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 710321060 ZSEIJPCEYWXAEZ-CABCVRRESA-N 263.425 3.901 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCC2)c(Cl)c1 727651688 LTWWHOJMIDSUII-UHFFFAOYSA-N 253.689 3.590 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(O)c(C)c1 728226602 UWOMGAPQOXQGNK-UHFFFAOYSA-N 299.330 3.753 30 20 CHED C[C@H]1CCC[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)[C@H]1C 728713284 XPUZBHZPVBISFV-JTOWHCCKSA-N 286.419 3.892 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 730150520 APDGFWKMTNAMNK-QPJJXVBHSA-N 299.276 3.763 30 20 CHED CC(=NNc1cccc(C#N)c1)c1cc(F)c(F)c(F)c1 730434023 YLPWRUDLCINISG-UHFFFAOYSA-N 289.260 3.812 30 20 CHED CC1(C)CC(=NNCc2ccccc2)c2ccoc2C1 731486070 CAJXZGJAAQRWFR-UHFFFAOYSA-N 268.360 3.746 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 733327136 ANEIZXWWDSAOBB-GPMSIDNRSA-N 299.462 3.951 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](CN(C)C)C1 733367435 BTEPTVYCDYKMPC-INIZCTEOSA-N 282.472 3.537 30 20 CHED C=CC[C@@H](C)NC(=S)N[C@@H](CC)c1cccs1 734987124 OLCUHKIIXBNMQO-MNOVXSKESA-N 268.451 3.628 30 20 CHED C=C(Cl)CNC(=O)[C@@H](CC)CC1CCCCC1 736246369 ZTEPURHRDQZYTB-ZDUSSCGKSA-N 257.805 3.852 30 20 CHED C=C(Cl)CNC(=O)Cc1ccc(-c2ccccc2)cc1 736247034 VMYLANUKBVFJLU-UHFFFAOYSA-N 285.774 3.765 30 20 CHED C=C(Cl)CNC(=O)N[C@H](c1ccc(CC)cc1)C(C)C 736400585 ZPJWDVXHJRTOOP-HNNXBMFYSA-N 294.826 3.998 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)CCSC 737064300 RKZAVHKHZPSUPC-AWEZNQCLSA-N 298.496 3.906 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1nccc2ccccc12 740760603 YMCFQUWEYLBJEL-UHFFFAOYSA-N 292.298 3.589 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)OCCCF 741441802 XFYPJHIASVVYOF-UHFFFAOYSA-N 283.302 3.742 30 20 CHED Cc1ccccc1OCCCON=Cc1cccc(F)c1 742575149 AAAWTTRCCILUMF-UHFFFAOYSA-N 287.334 3.954 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)CSc1ccccc1 744299639 IWZNNFYSQCQAGG-ZDUSSCGKSA-N 264.390 3.924 30 20 CHED CCC(C)(C)CC(=O)OCc1ccc(F)cc1C#N 745776983 CXAGXVIGXFQLCJ-UHFFFAOYSA-N 263.312 3.567 30 20 CHED CCC(C)(C)CC(=O)OCCCOc1ccc(C#N)cc1 745777132 JNMVUVRQNZNKDL-UHFFFAOYSA-N 289.375 3.697 30 20 CHED C=C(Br)CN(CCOC)[C@@H](C)c1ccccc1 746656862 AQENHGNROAKKKP-ZDUSSCGKSA-N 298.224 3.605 30 20 CHED C#CC[C@@H](OC(=O)c1cc(-c2ccccc2)ns1)C1CC1 747246283 RNNZSXKQRLMLQQ-OAHLLOKOSA-N 297.379 3.769 30 20 CHED C=CCNC(=S)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 747667409 JSALDPDQWRRWFF-RYUDHWBXSA-N 296.867 3.824 30 20 CHED Cc1cccc(C(=O)OCc2ccc(C#N)cc2C)c1 748906256 KNMKBYZLVLTGBX-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CCCCn1nc(C)c(C=NOCC(C)C)c1Cl 749632051 UZISHURFDMKMBU-UHFFFAOYSA-N 271.792 3.652 30 20 CHED C[C@@H](/N=C\c1cccc(O)c1O)c1ccc(F)cc1F 752152254 GADRIYKPYCUFOU-YSUMALLGSA-N 277.270 3.556 30 20 CHED C=CCCOC(=O)/C=C(/C)c1ccccc1OC(F)F 753395546 JLRFNZIFECYNIY-KHPPLWFESA-N 282.286 3.811 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@H]2CCCCS2)cc1 753731340 NFBWTAUIGFPDEX-WMLDXEAASA-N 289.444 3.635 30 20 CHED CC(=NNc1cc(C(F)(F)F)ccc1F)[C@H]1CCOC1 753946925 MBXRIIUSEZVUNK-VIFPVBQESA-N 290.260 3.669 30 20 CHED C=CC[C@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 754340649 FYOOINWTDINAHN-LLLHUVSDSA-N 254.377 3.501 30 20 CHED Cc1ccc(C)c(C=NNc2ccc(C(F)(F)F)nn2)c1 754708608 CBMBYZPAQMWXOC-UHFFFAOYSA-N 294.280 3.558 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc([C@@H](C)CC)cc1 755279451 LYZJIUSRRODIMC-WFASDCNBSA-N 258.365 3.622 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccc2c(c1)COC2 755600016 DQCDREKGMGUTLH-DAFODLJHSA-N 286.277 3.891 30 20 CHED CCC(=NO[C@@H]1CCCCO1)c1ccc(OC(F)F)cc1 755823690 RYAOTMZXHANACX-CQSZACIVSA-N 299.317 3.945 30 20 CHED CC(=NNc1cccc(Cl)c1F)C1CCOCC1 755890140 IYFPBTUDHMXLDL-UHFFFAOYSA-N 270.735 3.694 30 20 CHED CC(C)CC1(C(=O)OCc2ccc(C#N)cc2F)CCC1 757145271 ZEQBKQOHQMAQMC-UHFFFAOYSA-N 289.350 3.957 30 20 CHED C[C@@H](C#N)Oc1ccc(-c2nc3cnccc3s2)cc1 758452592 CKEKXBMUZRMWJJ-JTQLQIEISA-N 281.340 3.649 30 20 CHED N#CCCCCOC(=O)c1scnc1C1CCCC1 759755805 ZTEHJCWZGKQUBV-UHFFFAOYSA-N 278.377 3.651 30 20 CHED CC#CCCOC(=O)c1cc2c(F)cccc2s1 760291077 BISFSDCVTMASDG-UHFFFAOYSA-N 262.305 3.611 30 20 CHED C#CCCCCc1nc(-c2cccc(OC(C)C)c2)no1 761822366 NEDMHSDWTDLMAC-UHFFFAOYSA-N 284.359 3.870 30 20 CHED C#CCOc1ccccc1-c1noc(/C=C\c2ccco2)n1 761989482 JJRJHDMCSBFWNC-KTKRTIGZSA-N 292.294 3.512 30 20 CHED COc1ccc(C=NNc2ccccc2Cl)s1 763104926 HRDUQZIMLBOSEJ-UHFFFAOYSA-N 266.753 3.856 30 20 CHED Cc1ccc(NC(=S)Nc2cc(CC#N)ccn2)c(C)c1 763169107 LXYGJXGHQUITSL-UHFFFAOYSA-N 296.399 3.573 30 20 CHED C[C@H](CC(=O)N(C)c1cc(Cl)ccc1C#N)C1CC1 764270850 BBJHVHARCRWLRF-SNVBAGLBSA-N 276.767 3.611 30 20 CHED CC(=NNc1ncnc2ccsc12)c1ccc(F)cc1 764836125 UMJSOBQEQOMYGD-UHFFFAOYSA-N 286.335 3.667 30 20 CHED CCCCCCCN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 766257311 QGZBLHHQMKPDJD-OAHLLOKOSA-N 290.455 3.832 30 20 CHED C#CCCCSc1ncnc2sc3c(c12)CCC3 766284498 KEOCVANJNWLEDF-UHFFFAOYSA-N 274.414 3.686 30 20 CHED C=CCc1cc(CN2CC[C@@H](C)[C@@H](C)C2)c(O)c(OC)c1 766379133 AAHSPIVTSCEWFU-KGLIPLIRSA-N 289.419 3.607 30 20 CHED CCCCCC[C@H](C)NN=C1CCC[C@@H]1OCC 766454486 HXEPYHPGBGMUIZ-ZFWWWQNUSA-N 254.418 3.880 30 20 CHED N#Cc1ccc([C@H](O)COc2ccc(C3CCC3)cc2)cc1 767361093 NHNQPJFMYYSVSI-LJQANCHMSA-N 293.366 3.938 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1ccsc1 768394073 VKMMQLCUCIXEGG-UHFFFAOYSA-N 265.378 3.554 30 20 CHED CC(=NOC1CCCC1)c1ccc(O)c(Cl)c1 768783308 AQUJZGCOOVXBLU-UHFFFAOYSA-N 253.729 3.729 30 20 CHED CS[C@@H](C)CCC(=O)OCCCCC(C)(C)C#N 768834002 JMTSENCQDSENON-LBPRGKRZSA-N 271.426 3.781 30 20 CHED COc1ccsc1C(=O)/C=C\c1cc(C#N)cs1 769744009 CIMVYUJWZLPOIY-IHWYPQMZSA-N 275.354 3.586 30 20 CHED CCc1noc(C)c1C(C)=NNc1c(F)cccc1F 769820308 BHQZPJAPVQYBAX-UHFFFAOYSA-N 279.290 3.660 30 20 CHED Cc1cc(C=NNc2ccc(F)c([N+](=O)[O-])c2)c(C)s1 769822314 IYKOPBLVENPOTD-UHFFFAOYSA-N 293.323 3.858 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C)cc1 769828154 DCNCRSPFCNXCCB-UHFFFAOYSA-N 287.294 3.878 30 20 CHED CCCCOc1ccc(C(=O)O[C@@H](C#N)CC)c(Cl)c1 770887631 FQFFQGSFKYTNNM-LLVKDONJSA-N 295.766 3.978 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(F)nc1)c1ccccc1 772242965 DRHHRNXAQSBOOZ-OAHLLOKOSA-N 284.334 3.658 30 20 CHED C#CCN(Cc1ccsc1)[C@@H]1CCc2ccccc21 772598245 JWVIPNCSGOPLDL-QGZVFWFLSA-N 267.397 3.871 30 20 CHED CC(Cc1ccccc1C)=NNc1nccnc1C(C)C 773090942 KYWBTUYVFVQKBK-UHFFFAOYSA-N 282.391 3.939 30 20 CHED COc1ccc2c(c1)O/C(=C/c1ccc(C)c(OC)c1)C2=O 773140504 RLVBQTOEXJWRFO-RQZCQDPDSA-N 296.322 3.628 30 20 CHED C#C[C@@H](NC1c2ccccc2-c2ccccc21)[C@@H]1CCCO1 775790223 HHNSKKXSHSBLNN-MOPGFXCFSA-N 289.378 3.527 30 20 CHED CCn1c(C)cc(C(=O)O[C@@H](C#N)C2CCCCC2)c1C 776363088 GDHUZZXMZJICLB-INIZCTEOSA-N 288.391 3.754 30 20 CHED Cc1ccc2c(C(=O)OCCC(C)(C)C#N)c[nH]c2c1 776378659 MALKPIMJWBRKMK-UHFFFAOYSA-N 270.332 3.573 30 20 CHED N#Cc1cccc(NN=Cc2cc(F)cc(Cl)c2)c1 776724580 OKXIDIQYGQKBND-UHFFFAOYSA-N 273.698 3.797 30 20 CHED FC(F)(F)CCON=C[C@H]1C[C@H]1c1ccccc1 777461530 ZJXPSDJTSGGCRA-NEPJUHHUSA-N 257.255 3.745 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cc(F)cc(F)c1O 777907686 ZILFXWAZSBNKMH-UHFFFAOYSA-N 297.692 3.555 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(Cl)cc2OCC)c1 778560551 VLOLXCBIQXTFMH-UHFFFAOYSA-N 299.757 3.972 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1c1ccsc1 779844428 JESMXFWPZWMVIV-OAHLLOKOSA-N 275.417 3.995 30 20 CHED COCC(=NNc1cc(C)cc(C)c1)C1CCCC1 780196385 BCDNEODMPGMEPZ-UHFFFAOYSA-N 260.381 3.908 30 20 CHED Clc1csc(C=NNCCCc2ccccc2)c1 782231093 NMQVCLPKYPOASN-UHFFFAOYSA-N 278.808 3.958 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(Cl)cn1 782644789 RYHQSMFLLHYWIP-NHYWBVRUSA-N 297.782 3.568 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2CCCCS2)c(Cl)c1 784243556 JLVOEOHRKRYAFB-CYBMUJFWSA-N 295.791 3.541 30 20 CHED Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cnc1Cl 785617101 JVMLXPNYMOTFMX-INIZCTEOSA-N 297.789 3.692 30 20 CHED CCCC(=NOC[C@@H]1CCOC1)C1CCCCC1 788031776 YHQYNQLMRMYCNK-CYBMUJFWSA-N 253.386 3.776 30 20 CHED CSCC(C)(C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 788186446 HMJRFEMPOXIQIE-JTQLQIEISA-N 296.461 3.832 30 20 CHED CCC(O)(CC)CC/N=C\c1c(O)ccc2ccccc12 788284036 AOLGIQPLUJFUAW-UYRXBGFRSA-N 285.387 3.906 30 20 CHED C#CCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 788426949 DGPBXRSHCRZKDM-UHFFFAOYSA-N 286.331 3.507 30 20 CHED CC/C=C/CCOC(=O)c1cc(-c2cccc(C#N)c2)no1 789124422 OIACBYJKTWJELR-ONEGZZNKSA-N 296.326 3.726 30 20 CHED CC[C@@H](C)NN=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] 790180827 AXDUIUVGDSLNAO-CHWSQXEVSA-N 289.379 3.682 30 20 CHED Cc1cccnc1NN=C[C@H]1CCc2ccccc21 790188366 YANNXLRUWAMAOK-CQSZACIVSA-N 251.333 3.518 30 20 CHED CC#CCCCC(=O)OCc1ccc(OCC2CC2)cc1 791987808 ROXLDJKKOZJFGL-UHFFFAOYSA-N 286.371 3.712 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(C(=O)N(C)C)cc2)c1 792917817 QUYOKRTWRYJCSY-GHXNOFRVSA-N 293.366 3.593 30 20 CHED FC(F)(F)CCNN=Cc1cccc(Cl)c1Cl 794551947 GDQZQVYQNSKLOH-UHFFFAOYSA-N 285.096 3.869 30 20 CHED C=C(C)CN(Cc1ccccc1)Cn1cccnc1=S 794651998 ZOHAVFFTMUBOBD-UHFFFAOYSA-N 285.416 3.648 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1cc2c(s1)CCCC2 794699338 BNGWKVPBKKFWJD-FPLPWBNLSA-N 286.400 3.565 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1ccnc(F)c1 794931640 ZVBAYYMHOCKEFB-QGZVFWFLSA-N 299.393 3.802 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1cc3ccccc3s1)C2=O 794962614 SCZJWUABOLUIQL-FMIVXFBMSA-N 294.379 3.847 30 20 CHED CC(C)(C#N)CCCCOC(=O)C(C)(C)C(F)F 795863462 MZACZHOEDGXKFL-UHFFFAOYSA-N 261.312 3.541 30 20 CHED C#CCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 796140508 ITGWAKJPLLYUSS-CYBMUJFWSA-N 267.294 3.518 30 20 CHED CON(CC#Cc1ccc(C(F)(F)F)cc1)CC(C)(C)C 796472083 QWZDIJPRBUPEHX-UHFFFAOYSA-N 299.336 3.966 30 20 CHED Cc1cccc(-n2c(C)cc(C(=O)OC(C)(C)C#N)c2C)c1 796619237 KZVJOZYFDIYZPJ-UHFFFAOYSA-N 296.370 3.862 30 20 CHED CC[C@@H](CC#N)OC(=O)c1c(-c2ccccc2C)noc1C 796893563 RQVLKOLIFUDBRU-ZDUSSCGKSA-N 298.342 3.808 30 20 CHED C=CCOCCOC(=O)c1sccc1-c1ccccc1 797309789 LYCODJHFILYEAP-UHFFFAOYSA-N 288.368 3.775 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNC(=S)Nc1ccccn1 797402253 XSCMRAPXVWPPSM-NEPJUHHUSA-N 290.436 3.570 30 20 CHED COc1ccccc1CON=C[C@@H]1CCc2ccccc21 799118374 CHLLBHWSVASQFW-HNNXBMFYSA-N 281.355 3.928 30 20 CHED N#Cc1ccccc1/C=C\C(=O)NC1CCCCCCC1 799515530 UBOFDBZKSRYTTO-SEYXRHQNSA-N 282.387 3.801 30 20 CHED COc1ccccc1CON=C(C)c1cc(C)c(C)o1 799887834 JDRGNLUSNRCUDC-UHFFFAOYSA-N 273.332 3.846 30 20 CHED C/C=C(/C=C\C(=O)NCc1ccc(C#N)c(Cl)c1)CC 801142699 OHWOQMVBBNMAGE-GUNAYIFLSA-N 288.778 3.740 30 20 CHED COc1ccc([C@@H](C)/N=C\c2ccccc2O)c(C)c1OC 806552178 QHMCEWDJUUBYLK-LPXFMOJISA-N 299.370 3.898 30 20 CHED C#CCC1(OC(=O)c2[nH]c3ccccc3c2Cl)CCC1 810747291 OLYDTBDINMWRDZ-UHFFFAOYSA-N 287.746 3.924 30 20 CHED CC[C@@]1(C/N=C\c2ccccc2O)OCCc2ccccc21 811624994 ZZLIUTMUSHNSGF-KYYPIKSYSA-N 295.382 3.689 30 20 CHED CC(C)(C)c1nc(C=NOC/C=C\Cl)cs1 811671191 BVOAPJOWEUQJNP-HJPIBOGJSA-N 258.774 3.544 30 20 CHED C#CCCCCCC(=O)Nc1cccc([N+](=O)[O-])c1Cl 813243979 IBWHOZVWFHCWKP-UHFFFAOYSA-N 294.738 3.770 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N[C@@]1(C#N)CC1(C)C 813300996 TUHDEAZMCZZWCJ-JXMNSVBMSA-N 288.778 3.552 30 20 CHED Cc1cccc([C@@H](NC(=O)c2ccc(C#N)o2)C(C)(C)C)c1 814119171 CTBDORVWIWJBLA-MRXNPFEDSA-N 296.370 3.977 30 20 CHED C[C@H]1C(=NNc2ccc(Cl)c(F)c2)CC[C@@H]1CC(=O)O 814862760 QQKBXTZDWKMHOZ-RKDXNWHRSA-N 298.745 3.768 30 20 CHED C#Cc1cccc(NC(=O)CSCc2ccc(F)cc2)c1 819399373 TYDMNUWYHULGQC-UHFFFAOYSA-N 299.370 3.679 30 20 CHED C#C[C@H](CCC)NC(=O)N(Cc1ccc(C)s1)C(C)C 820641106 UEFVFJQUXADSRE-CQSZACIVSA-N 292.448 3.778 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnn(CCC)c1C1CC1 821114965 BYYJFAVFZSUILQ-LBPRGKRZSA-N 275.396 3.711 30 20 CHED CCc1nc(CNc2ccc(C#N)c(C(F)(F)F)c2)co1 829177917 RRMNMCKBRWXSNX-UHFFFAOYSA-N 295.264 3.740 30 20 CHED N#CC1(COc2c(C=O)ccc3ccccc23)CCC1 829622348 NSIQVRINSQLLHE-UHFFFAOYSA-N 265.312 3.725 30 20 CHED CON1CCC(=NNc2c(C)cccc2C(C)C)CC1 834979572 OZFWCNIKMKXKQS-UHFFFAOYSA-N 275.396 3.544 30 20 CHED C[C@@H](NN=C1CC[C@H](c2ccccc2)C1)C(F)(F)F 834999509 VGUUXBHATYDVLO-PWSUYJOCSA-N 270.298 3.851 30 20 CHED C[C@@H](OC(=O)[C@@]1(C)CC=CCC1)c1cccc(C#N)c1 835130339 GFJKLNPTOMGKMM-DYVFJYSZSA-N 269.344 3.909 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1c(F)cccc1Cl 835199300 VQRJDSIHPQJIJH-CWSCBRNRSA-N 298.741 3.674 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@]1(C)CC=CCC1 835339112 WTKDMAFEPRABHR-HZPDHXFCSA-N 266.381 3.505 30 20 CHED CSCC[C@@H](C)OC(=O)C[C@@H](CC#N)c1ccccc1 835815163 ZHLBHEADYKBYNN-UKRRQHHQSA-N 291.416 3.759 30 20 CHED C=CCN(C(=O)N[C@@H](c1ccccc1)C(F)F)C(C)C 836669588 PASVWCCTUJPXAF-ZDUSSCGKSA-N 282.334 3.599 30 20 CHED C#CCCCCCC(=O)NCC1(CC=C)CCCC1 836990448 GJFKQZBJKHDTRJ-UHFFFAOYSA-N 261.409 3.823 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C#CC(C)(C)C 837323614 POENPPHGQMPVPH-LLVKDONJSA-N 279.330 3.534 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCCc2ccsc2)C1 839056105 ZJHYITTZNVZQSX-KGLIPLIRSA-N 277.389 3.696 30 20 CHED C[C@H](O)CN(C)N=C1CCCCCCCCCCC1 841652309 KGRVBEWTKAOMBV-HNNXBMFYSA-N 268.445 3.960 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CC[C@H](C)CC3)[nH]c12 845473434 JEVSGQAUYFHRSE-UBHSHLNASA-N 295.386 3.874 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](CC)c1ccc(Cl)s1 845635415 YGLKPCMRMCWHNW-IUCAKERBSA-N 288.800 3.658 30 20 CHED CCOc1ccc(COC(=O)C2(C#N)CCCC2)c(C)c1 847110922 KCMYPDXQDYGRMC-UHFFFAOYSA-N 287.359 3.521 30 20 CHED C1=CO[C@H](C/N=C(/Nc2ccccc2)N2CCCCC2)CC1 849106365 KFMDCAUCJMYUML-KRWDZBQOSA-N 299.418 3.633 30 20 CHED Cc1cc(C)c([C@@H](C)NCCc2ccc(C#N)cc2)c(O)c1 850488341 MCWPPULENMYQKI-OAHLLOKOSA-N 294.398 3.774 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1occ2c1CCOC2 851143597 MQTWCCCRKYFCTO-WFASDCNBSA-N 290.359 3.644 30 20 CHED C=CC(C)(C)CCOC(=O)c1coc(C2CCC2)n1 851300396 SBWUWQAWWDCJNZ-UHFFFAOYSA-N 263.337 3.701 30 20 CHED C#C[C@@](C)(CC)NCc1csc(-c2ccccc2F)n1 852099839 QLTBRZRYDPNSTN-INIZCTEOSA-N 288.391 3.841 30 20 CHED CC(C)c1ccccc1C(=O)NCCc1ccc(C#N)cc1 855220673 INSBYLWOTMZHQI-UHFFFAOYSA-N 292.382 3.654 30 20 CHED C=CCCNC(=O)c1cc2ccc(C(C)C)cc2[nH]1 855382226 RAORHULROUFLPD-UHFFFAOYSA-N 256.349 3.597 30 20 CHED C=CCC1(NC(=O)/C=C/c2ccc(Cl)nc2)CCCC1 855927625 VEHROGNZWOCGNA-SOFGYWHQSA-N 290.794 3.753 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C(\C)c1cccs1 857196237 OLSVISFSPWWPCC-XZHRJIJLSA-N 261.390 3.719 30 20 CHED C=CCC[C@H](C)Nc1ccc(C(C)(C)C(=O)O)cc1 859811034 XSJRPSKBMGCPRK-LBPRGKRZSA-N 261.365 3.815 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2ccc(F)c(Cl)c2)C1 860825165 CHSPEOUEYLXASO-NEPJUHHUSA-N 295.741 3.647 30 20 CHED CC(=NNc1cccc(F)c1Cl)[C@H]1CCCOC1 863158690 MGLUFHPXYFRIFF-JTQLQIEISA-N 270.735 3.694 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CC[C@@H](N)CC1 870872007 VGOBZHKFEMFYJR-IYBDPMFKSA-N 282.472 3.713 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(O)c1F 872057998 LYKXTUQHCFNSTC-LBPRGKRZSA-N 296.345 3.743 30 20 CHED Clc1cccnc1NN=CC1([C@@H]2CCCCO2)CCC1 872343850 NBVASUJWPVPQGF-ZDUSSCGKSA-N 293.798 3.872 30 20 CHED C[C@@H](CCC#N)CNc1ccc(N(C)C)c(Cl)c1 876848895 NPTFDUHBXOJNMS-NSHDSACASA-N 265.788 3.758 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2cc(F)ccc2[C@@H]1C 879211392 GTMPTNJWOMGAPC-LBPRGKRZSA-N 275.367 3.874 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCC[C@@H](SC)C2)CC1 889038283 YGLZCIIFBNVNCL-ZIAGYGMSSA-N 267.438 3.523 30 20 CHED N#Cc1ccc(NC(=O)N(CC2CCCCC2)C2CC2)nc1 889222271 KJAMYWMSXDJDOR-UHFFFAOYSA-N 298.390 3.530 30 20 CHED C=C1CCC(C(=O)OCc2oc(CCC)nc2C)CC1 891123155 IIJHLWSJANDFDG-UHFFFAOYSA-N 277.364 3.725 30 20 CHED CCOCc1nc(C)cc(Sc2ccc(C#N)c(C)c2)n1 894278073 QWKRKZAQNRBYLF-UHFFFAOYSA-N 299.399 3.653 30 20 CHED C=C1CC(c2noc(-c3ccccc3-c3nnc(C)o3)n2)C1 896885081 WWJVDKPCLJMKNY-UHFFFAOYSA-N 294.314 3.529 30 20 CHED C=C1CC(c2noc([C@H](C)Oc3ccc(F)cc3)n2)C1 896889249 FINFFZNPTDQFLY-JTQLQIEISA-N 274.295 3.782 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(Cl)cc2)c(C2CC2)n1 899333688 RPUMHOMHGIBJKG-TWGQIWQCSA-N 286.762 3.847 30 20 CHED Cn1cncc1/C=C1/CCCc2ccc(Cl)cc2C1=O 901477379 PGCSZZNWSHXTEP-GHXNOFRVSA-N 286.762 3.676 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2cc3n(n2)CCC3)c1 901560219 JBHWXQWXCCCDTA-HJWRWDBZSA-N 296.370 3.513 30 20 CHED C=CC[C@H](c1ccccc1)c1nc(Cc2ccncc2)no1 904933494 JIVGSFRWBBXWEJ-MRXNPFEDSA-N 291.354 3.763 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccnc(-c3ccco3)c2)C1 905928969 JFOOSKHNBDTZCZ-GXTWGEPZSA-N 296.326 3.581 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1C)c1cccnc1 906076835 XBCZMENCKSUJEV-UHFFFAOYSA-N 293.370 3.709 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cn1)c1cccs1 915917634 IVPMYWNHCAWCBK-UHFFFAOYSA-N 285.294 3.998 30 20 CHED Cc1nc(C=NNCc2ccc(C(F)(F)F)cc2)cs1 915972662 RUJSEJNLWDMHGG-UHFFFAOYSA-N 299.321 3.594 30 20 CHED Fc1ccc(CNN=C/C=C/c2ccccc2)cc1F 915974928 MIPNRANLJLEYKS-FBZYTMSMSA-N 272.298 3.754 30 20 CHED CCCOc1ccc(C=NNc2ccc(C(=O)O)cc2)cc1 916240511 MUNWTUPFVIAUAI-UHFFFAOYSA-N 298.342 3.620 30 20 CHED C=C(Cl)COC(=O)c1ccc(OCC(C)C)c(OC)c1 916609487 OFXCSFCVWBACPP-UHFFFAOYSA-N 298.766 3.639 30 20 CHED Cc1ccc2c(C=NNc3ccccc3[N+](=O)[O-])c[nH]c2c1 917531019 OPQASBAFUDVKJJ-UHFFFAOYSA-N 294.314 3.831 30 20 CHED CC(C)Oc1ccccc1C/N=C\c1ccccc1O 917557611 BTNCXOYXDQBIDO-WQRHYEAKSA-N 269.344 3.799 30 20 CHED C=CCN(C(=S)Nc1cc(C)ccc1C)C(C)C 917589446 ZMTKPZJIPYDUQD-UHFFFAOYSA-N 262.422 3.897 30 20 CHED Cc1ccnc(SCCCC2(C#N)CCOCC2)c1 918810552 ZBHZAGLRRZXQCK-UHFFFAOYSA-N 276.405 3.583 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1coc(-c2cccs2)n1 924788622 OIMWMWRFQRLCJJ-NSHDSACASA-N 289.404 3.821 30 20 CHED Cc1cccc([C@@H](NCCCCC#N)c2ccccn2)c1 924942319 NMXACVQLPZOBCN-GOSISDBHSA-N 279.387 3.763 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCNc1cccc(F)c1 926143516 RBJPZUHAUNUFBS-ZDUSSCGKSA-N 277.387 3.546 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2ccccc2[nH]1 926617238 WRCDIDOTYKEEGT-MBNYWOFBSA-N 253.349 3.511 30 20 CHED C#Cc1ccc(NC(=O)N[C@@H](CC)c2c(C)noc2C)cc1 934932034 BTCHWWKDAGTYCL-HNNXBMFYSA-N 297.358 3.546 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(O)c(COC(C)C)c1 936027823 JRUFWVBJHNZAOO-ZDUSSCGKSA-N 291.391 3.858 30 20 CHED N#CCOc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 1116466864 KVEHMLGZCVURMR-GOSISDBHSA-N 296.345 3.505 30 20 CHED Cc1ccsc1-c1nnc(-c2cccc(C#N)c2)o1 1117260031 BNFYPAUDIXSAHH-UHFFFAOYSA-N 267.313 3.645 30 20 CHED Oc1nc2ccccc2cc1/C=N/[C@@H]1CCC[C@H](F)C1 1118192345 CDQHYTARYILXJU-AHMGIAEWSA-N 272.323 3.640 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2cnc(Cl)cc2C#N)CC1 1121209014 AVWPSAOWSPWCPJ-XYPYZODXSA-N 291.782 3.762 30 20 CHED C[C@H]1CC[C@H](C(=O)O[C@@H](C)c2cccc(C#N)c2)C1 1127021417 ALBYRYXTHGGRHA-HUBLWGQQSA-N 257.333 3.599 30 20 CHED Cc1cc(NCC2(c3ccc(F)cc3)CCC2)ncc1C#N 1162361536 SPBYGJAJFYLOEZ-UHFFFAOYSA-N 295.361 3.935 30 20 CHED CC(C)[C@@H]1C[C@H]1CNc1nc(C(F)(F)F)ccc1C#N 1186461805 JEVVWGZRFHCQTA-QWRGUYRKSA-N 283.297 3.676 30 20 CHED N#CCc1ccc(NCc2cc3ccncc3s2)cc1 1199514882 TXDOPNVOUONHPN-UHFFFAOYSA-N 279.368 3.974 30 20 CHED N#Cc1ccsc1NC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 1219354895 VMIHDSUDGOKASU-WCQYABFASA-N 289.404 3.710 30 20 CHED C=C(CC(C)C)C(=O)NC1(c2nc(C)cs2)CCCC1 1263730598 DBIFQLFWXGTRDE-UHFFFAOYSA-N 292.448 3.939 30 20 CHED COc1ccc(NC(=O)[C@@H](C)c2cccc(C)c2)cc1C#N 1288068736 DXLRCWQQKXTXLH-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED Cc1cc(CN2CC[C@H](Oc3ccccc3)C2)ccc1C#N 1308835089 IMXRLFLGPHQVOB-IBGZPJMESA-N 292.382 3.520 30 20 CHED C#CCCCCc1nnc([C@H](C)Oc2ccccc2F)o1 1326093214 SLKMVQJSUMUEEB-LBPRGKRZSA-N 288.322 3.695 30 20 CHED N#Cc1ccc(COC(=O)CCCc2cccs2)s1 1327711428 PLEQXGIYFJUGIM-UHFFFAOYSA-N 291.397 3.747 30 20 CHED CCc1ccc(-c2n[nH]c(S[C@H]3CC[C@H](C#N)C3)n2)cc1 1328002277 UVBPWYAYOSBWCK-JSGCOSHPSA-N 298.415 3.818 30 20 CHED N#CC1(c2nnc(C34CC5CC(CC(C5)C3)C4)o2)CCCC1 1328166531 FDOWVCWMILHJED-UHFFFAOYSA-N 297.402 3.873 30 20 CHED CSc1cccc(F)c1CNc1cccc(CC#N)n1 1328641407 UNQSNWDTKRVPAF-UHFFFAOYSA-N 287.363 3.621 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(C)o1 1328716569 XJHRWAXBDKIISS-UHFFFAOYSA-N 272.352 3.512 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C[C@@H]1C=CCCC1 1331453976 QTBQIIUVDQOWMP-LLVKDONJSA-N 274.751 3.897 30 20 CHED N#CCC[C@@H](Nc1cc(C(F)F)ncn1)c1ccccc1 1333723715 IXONAXACSWTIGI-GFCCVEGCSA-N 288.301 3.871 30 20 CHED N#CC1(Cn2nc(-c3ccc(Cl)cc3)nc2Cl)CC1 1334310221 WICVWOPASDQKGX-UHFFFAOYSA-N 293.157 3.556 30 20 CHED C=C(C)CCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 1337087777 MTPCSSNKAABNQU-IBGZPJMESA-N 294.398 3.776 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C 1338813759 CFTJOTSUHWWFOY-INIZCTEOSA-N 297.402 3.593 30 20 CHED CC(C)(C)ON=Cc1cccn1Cc1cccs1 1341308500 JUIMHQRUIBRNBZ-UHFFFAOYSA-N 262.378 3.747 30 20 CHED CC(C)c1ocnc1COc1cc(Cl)ccc1C#N 1341616974 INKWGIGDMPZQHR-UHFFFAOYSA-N 276.723 3.902 30 20 CHED C/C(C=NOC(C)(C)C)=C/c1cccc([N+](=O)[O-])c1 1343421045 HKVFHKWCACFKPS-AKGWTVDPSA-N 262.309 3.799 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)CCCc2c(F)cccc2F)C1 1344683803 AWQHNIWRBUFAEZ-NWDGAFQWSA-N 293.313 3.523 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)[C@H](C#N)c2cccc(F)n2)CC1 1347124708 QLLZVJCNTYTKBR-MGPQQGTHSA-N 288.366 3.859 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnn(CCCC)c1C 1347520922 CSSMCTNTWJLNIV-OAHLLOKOSA-N 289.423 3.562 30 20 CHED C[C@H](CC#N)N(C)C(=O)C(C)(C)c1ccc(Cl)cc1F 1350035900 AXNVITYYUTUVGA-SNVBAGLBSA-N 296.773 3.517 30 20 CHED N#CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1 1351532032 OJHBSZFBNLAHGB-CYBMUJFWSA-N 286.281 3.601 30 20 CHED Cc1cc(F)cc(C)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1 1355477226 KYFKSZMWJGEHRT-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED CC1CCC(CNC(=O)c2ccc(C#N)c(Cl)c2)CC1 1356263673 BXMSVAJQWOUUQT-UHFFFAOYSA-N 290.794 3.768 30 20 CHED CC[C@@H](C)CCNC(=O)Nc1ccc(C#N)cc1Cl 1465887954 BAXQRYNULKJCKU-SNVBAGLBSA-N 279.771 3.769 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 1470212063 SCIOKEJPQWNFRC-LXZKKBNFSA-N 299.418 3.745 30 20 CHED C[C@H]1CCC[C@@H](CN[C@H](C)CC(C)(C)C#N)[C@@H]1C 1474477342 LTRPIAXUEDCODK-YJNKXOJESA-N 250.430 3.977 30 20 CHED CC[C@@H](CNC(=O)c1cc(C#N)ccc1C)c1ccccc1 1519854519 RQEKMVWHDNVQLP-INIZCTEOSA-N 292.382 3.790 30 20 CHED C=C(CC)C(=O)N[C@H]1CCCOc2c(Cl)cccc21 1548681198 GPOKBKMXWLIABH-ZDUSSCGKSA-N 279.767 3.636 30 20 CHED CCCNc1ccccc1NC(=O)c1ccc(C#N)cc1F 1556149461 NGFCNPRWUFRMDO-UHFFFAOYSA-N 297.333 3.772 30 20 CHED COc1ccc([C@@H](C)CCNc2cc(C)c(C#N)cn2)cc1 1559105118 IJPHYSNHLLYGQV-ZDUSSCGKSA-N 295.386 3.876 30 20 CHED CC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1Cl 1559285337 KIPKJLXLUWSVAR-UHFFFAOYSA-N 272.691 3.602 30 20 CHED CC(C)C[C@H]1CCCCN1Cc1cccc(C#N)c1 1559624857 CTGUTWQGULIHHJ-QGZVFWFLSA-N 256.393 3.959 30 20 CHED C[C@@H](CN(C)Cc1cccc(C#N)n1)C1CCCCC1 1560964803 SDDXRBVFZLTPOW-AWEZNQCLSA-N 271.408 3.601 30 20 CHED COc1cccc([C@@H](C)SCc2cc(C#N)ccn2)c1 1613623752 ZMRZDXSPFGRWKC-GFCCVEGCSA-N 284.384 3.956 30 20 CHED C[C@H](c1nccc2ccccc12)N1CCC[C@@](C)(C#N)C1 1621196754 MHTZPRJTTFJHPA-KDOFPFPSSA-N 279.387 3.921 30 20 CHED Cc1ccc(N(C)C(=O)Nc2scc(C)c2C#N)cc1 1624564488 PQYZKMKDRHVVQS-UHFFFAOYSA-N 285.372 3.905 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@@H](C2CCC2)C1 1643422067 TXDJOYXAEKZDTH-CQSZACIVSA-N 274.795 3.834 30 20 CHED CO[C@@]1(C)C[C@H](N(C)CCC2(C#N)CCCCC2)C1(C)C 1644690614 HPYBRORSQPSCCB-RDJZCZTQSA-N 292.467 3.986 30 20 CHED CC1CCN(c2c(Br)cccc2C#N)CC1 1649211451 BWQVKCLIZMLFRB-UHFFFAOYSA-N 279.181 3.557 30 20 CHED C=C(Br)CN(C)c1cccc(CC)c1 1654656765 MFGMJZWZBKWDHL-UHFFFAOYSA-N 254.171 3.594 30 20 CHED CCc1ccc2c(c1)[C@H](N[C@H](C)CC(C)(C)C#N)CCO2 1658757273 NMXYLNYYYVILRN-CZUORRHYSA-N 286.419 3.991 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)NCC(C)(C)CC#N)CC1 1681627068 ZEDYLBVVCUWOMF-HUUCEWRRSA-N 293.455 3.830 30 20 CHED O=C(O)c1ccc(NN=C2CCc3ccccc3CC2)cc1 1776012619 HFXHFCLFWAJHBZ-UHFFFAOYSA-N 294.354 3.732 30 20 CHED CCCCC(=NNc1ccc(C(=O)O)nc1)c1ccccc1 1776068790 ZUJJHLDTUVUCQJ-UHFFFAOYSA-N 297.358 3.786 30 20 CHED C=C(C)CCCN1CC2(CC2)c2ccccc2[C@@H]1C(=O)O 1776138818 UUMSAMQPCPORLM-MRXNPFEDSA-N 285.387 3.516 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CC[C@H]2CCC[C@@H](C)C2)C1 1776160703 XGDPFEMOYYVFOX-INMHGKMJSA-N 279.424 3.556 30 20 CHED N#Cc1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1 6062440 VMTJOLQDYZORAM-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC#CCCCC(=O)Nc1sc2c(c1C#N)CCCC2 6262148 WOCUSFCDEWAMLS-UHFFFAOYSA-N 286.400 3.631 30 20 CHED Cc1cccc(OCCCC(=O)Nc2ccc(C#N)cc2)c1 6867721 BRHLMBRYKWBSFB-UHFFFAOYSA-N 294.354 3.664 30 20 CHED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1cccnc1 33472169 FKRKPPCAQGFXIA-YVMONPNESA-N 277.245 3.997 30 20 CHED C[C@H]1CCCN1c1ccc(C(F)(F)F)cc1C#N 37912130 ADPGFFGPRJPPTF-VIFPVBQESA-N 254.255 3.566 30 20 CHED CCc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)s1 41496080 ROTPKCYTEYJPCG-NSHDSACASA-N 295.367 3.677 30 20 CHED C[C@@H](NC(=O)C=C1CCCCC1)c1ccc(C#N)cc1 48934361 PQFJFOAFRWHBBN-CYBMUJFWSA-N 268.360 3.626 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1CCCc2ccccc21 50165674 NNFUPZIIYQLEHQ-QGZVFWFLSA-N 284.403 3.505 30 20 CHED C=CCN(Cc1cccs1)C[C@H](O)c1cccc(F)c1 51262290 ZDNXAKUTFGGVSU-INIZCTEOSA-N 291.391 3.609 30 20 CHED Cc1ccc(C)c(CC(=O)Nc2cc(C#N)ccc2C)c1 53143135 VOMBOWWPERMBGT-UHFFFAOYSA-N 278.355 3.665 30 20 CHED N#Cc1c(Cl)cccc1NCc1ccc2c(c1)OCO2 58732965 XLFDJKGNWPQMRH-UHFFFAOYSA-N 286.718 3.552 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCC[C@@H]1C 66415049 MUHGQBDEVCIPRQ-YOEHRIQHSA-N 284.403 3.793 30 20 CHED N#Cc1ccc(NC(=O)NC2(c3ccc(F)cc3)CC2)cc1 74629020 RQUHLLROXBQQDS-UHFFFAOYSA-N 295.317 3.508 30 20 CHED CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)C1CCCCC1 74917165 MCGKIYICQNAUKL-AWEZNQCLSA-N 299.418 3.983 30 20 CHED Cc1ccccc1CC(=O)Nc1cc(C#N)cn1C(C)(C)C 77379919 VUVWLVHFRYHADM-UHFFFAOYSA-N 295.386 3.604 30 20 CHED C=C(C)CSCc1noc(-c2cccs2)n1 79354108 ISSFVARBPUTVOQ-UHFFFAOYSA-N 252.364 3.607 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)Nc1ccc(C#N)cn1 80688022 PJIHPHMIHWOGRY-CHWSQXEVSA-N 251.333 3.557 30 20 CHED N#CCSCCCN(CC1CCC1)c1ccccc1 84139448 NNWLDEAZVFUFTN-UHFFFAOYSA-N 274.433 3.940 30 20 CHED N#Cc1ccc(F)cc1CSc1ccc(O)cc1 85148810 KOERTCYDZSIYKU-UHFFFAOYSA-N 259.305 3.695 30 20 CHED CC(C)CC1(CNC(=O)NCCCCC#N)CCCC1 87086161 YKTPZKZDIYXSHD-UHFFFAOYSA-N 279.428 3.586 30 20 CHED N#CCCCC[S@@](=O)c1ccc(Cl)c(Cl)c1 88315594 ZGNOREVVILCBJQ-INIZCTEOSA-N 276.188 3.795 30 20 CHED C=CCNc1ccccc1NC(=O)C[C@H]1C=CCC1 89105005 NWWRHIUNZSYIHS-ZDUSSCGKSA-N 256.349 3.579 30 20 CHED CC(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1C 89410132 GXELSNWSHGLILG-UHFFFAOYSA-N 292.338 3.516 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 92892176 KRZAQBZFWVDSRO-SWLSCSKDSA-N 292.810 3.717 30 20 CHED COc1ccc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)cc1 93901711 UPGWOZOLPUKRHZ-DHZHZOJOSA-N 298.386 3.622 30 20 CHED CSc1cccc(N(C)C(=O)c2ccc(C#N)cc2)c1 101836791 RVALMCIRUDPEKK-UHFFFAOYSA-N 282.368 3.557 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc3c2OCO3)s1 107842375 NYMZXEZKPOHLOF-SOFGYWHQSA-N 286.352 3.935 30 20 CHED C[C@@H](CC1CC1)NCc1cccc(OCCCC#N)c1 112711582 UFPZWNLAHQWLOW-AWEZNQCLSA-N 272.392 3.647 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1F 114757117 RAOMQUGWJYPTJU-QMMMGPOBSA-N 273.760 3.725 30 20 CHED Cc1cccc(C(=O)/C=C/c2cccc(O)c2)c1C 114992124 OSVVETSZLONQLN-MDZDMXLPSA-N 252.313 3.905 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Cl)cc2)C1 116814616 IXULIWUVTJSOMB-XHDPSFHLSA-N 276.767 3.542 30 20 CHED C=CCCCSc1nnc(Cc2ccccc2F)o1 117553210 GPEFTZSFNMUZBU-UHFFFAOYSA-N 278.352 3.858 30 20 CHED C=C[C@@H](CC(=O)OCCCc1ccncc1)c1ccccc1 119141912 DRHGQQHRHMDHHR-KRWDZBQOSA-N 295.382 3.917 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(F)cc1F 121296551 HCNVPAOVNLEDCC-LLVKDONJSA-N 279.330 3.910 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 122520776 YQNRDUJYGRSPDK-DOTOQJQBSA-N 286.375 3.744 30 20 CHED N#Cc1cccc(N[C@@H](c2ccccc2)c2nccs2)n1 122814338 UCDWEIALVZGGMP-HNNXBMFYSA-N 292.367 3.611 30 20 CHED C[C@@H](NC(=O)C1=CCCCCC1)c1ccc(C#N)cc1 128497306 WLRVXGRFVHTPPL-CYBMUJFWSA-N 268.360 3.626 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1CC[C@H](C)C1 128560756 YGWGPMFRHHXOGP-GJZGRUSLSA-N 264.413 3.601 30 20 CHED CCC(CC)CC(=O)Nc1ccnn1-c1ccc(C#N)cc1 129933398 SYNUEXRGWGJXKJ-UHFFFAOYSA-N 296.374 3.509 30 20 CHED CC(C)(CNC(=O)C1(C#N)CCCCC1)C1CCCC1 130801606 YNAGKERWSLFHMM-UHFFFAOYSA-N 276.424 3.793 30 20 CHED N#Cc1ccc(NCc2cccc(F)c2F)c(F)c1 135607033 CRJKLHQKLHPFFB-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 136163037 GVWVXSGFGNRJII-LBPRGKRZSA-N 289.354 3.741 30 20 CHED C#Cc1cccc(NC(=O)Nc2cc(F)cc(F)c2)c1 151084078 KAXFMHIDZGLJJZ-UHFFFAOYSA-N 272.254 3.590 30 20 CHED CCC(=CC(=O)[C@@H](C#N)C(=O)Nc1ccc(CC)cc1)CC 151604641 DAZQHIANAWGKOU-MRXNPFEDSA-N 298.386 3.643 30 20 CHED Cc1ccc2c(c1)nc(-c1ccc(O[C@@H](C)C#N)cc1)n2C 154503869 TUMXXGSZTIWROI-ZDUSSCGKSA-N 291.354 3.840 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(Cl)o1 156775232 NXCLPQWZJTWLLG-UHFFFAOYSA-N 255.745 3.751 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2cccc(F)c2C1 157985326 YEGYFLWYTFURTA-CYBMUJFWSA-N 280.346 3.817 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(C#N)cc1 160015206 WTOWKTVRAHEGKZ-UONOGXRCSA-N 282.368 3.670 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 161104957 GNBGRNNITVNHAI-STQMWFEESA-N 283.293 3.501 30 20 CHED CCN(Cc1cccs1)Cc1ccc(C#N)cc1C 165454137 ZQJCIQRLBCDDKG-UHFFFAOYSA-N 270.401 3.950 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)[C@@H](C)C2CC2)c1 171274800 XZAALTPDKHFYCB-ZDUSSCGKSA-N 288.391 3.904 30 20 CHED CC(C)C[C@H]1CCCCCN1C(=O)NCCCCC#N 172621679 PDHDFNVCMHMCJY-OAHLLOKOSA-N 279.428 3.681 30 20 CHED Cc1ccc(C(C)(C)CN(C)C(=O)C2(C#N)CCCC2)cc1 172771947 AVCXJEZHVVOJLE-UHFFFAOYSA-N 298.430 3.815 30 20 CHED C#CCCCNC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 172939985 NSVCPRYKNRZPSM-LLVKDONJSA-N 298.213 3.702 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc(-c2nc3ccccc3s2)o1 174465938 WLAQJATXPFJMDU-SNVBAGLBSA-N 297.335 3.735 30 20 CHED N#CCC1(COC(=O)c2cc(Cl)cc(Cl)c2)CC1 174742529 HLUUJARFDMTUDS-UHFFFAOYSA-N 284.142 3.844 30 20 CHED CC(C)[C@H](C(=O)OCC1(CC#N)CC1)c1ccccc1 174751185 IOLBCQKZNSHWGL-HNNXBMFYSA-N 271.360 3.663 30 20 CHED C=C(C)CCOC(=O)/C=C/c1nc2ccccc2s1 174801094 MNSXMRFPUAMICX-BQYQJAHWSA-N 273.357 3.819 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 175580457 KETMKCMLTYKCBX-UWVGGRQHSA-N 284.812 3.513 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](CC)Oc1ccccc1Cl 176415443 RUMODWVLVHGEIO-WCQYABFASA-N 281.783 3.578 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)o1 176680043 NODUMKNXHCVDJV-RMKNXTFCSA-N 286.327 3.755 30 20 CHED CCCCCCCCC(=O)N1CCOc2ncccc21 177237052 JTRCINXAIIIAJJ-UHFFFAOYSA-N 276.380 3.558 30 20 CHED CC[C@@H](C)Oc1ccc(NCc2ccc(C#N)o2)cc1 177555536 PAORNIOKPIRESV-GFCCVEGCSA-N 270.332 3.941 30 20 CHED CCO[C@H](CCNCC(C)(C)CCC#N)C1CCCC1 177583622 WDMYRXRIVVPNRX-MRXNPFEDSA-N 280.456 3.891 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)NCCCCC#N)cc1 179128855 XHUSISVXYGMHIJ-HNNXBMFYSA-N 286.419 3.799 30 20 CHED COc1cc(C#N)ccc1CSc1ccccc1C#N 179611141 IFCCVUBCWOVBPE-UHFFFAOYSA-N 280.352 3.731 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cccn1C(C)C 179658617 XDJUGYBEBOCPOC-UHFFFAOYSA-N 297.358 3.592 30 20 CHED C#CCCCNC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 179853658 DEINSXDEKSNMQA-DLBZAZTESA-N 293.451 3.672 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2cccc(C)c2)cc1 180448679 ADZRMRLPGXUYOR-IZZDOVSWSA-N 279.339 3.850 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)ccc1Cl 180467930 FCQDZVYDCHOACK-UHFFFAOYSA-N 258.148 3.642 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1nc(C2CC2)cs1 181040609 NQXGEEAGNONADG-SNVBAGLBSA-N 279.409 3.887 30 20 CHED C=C(C)COc1cc(CN(C)CC(=C)C)ccc1OC 181043008 BIYQYIVHBRNTCQ-UHFFFAOYSA-N 275.392 3.658 30 20 CHED CCC1(C(=O)Nc2ccccc2O[C@@H](C)C#N)CCCC1 182146332 SEYZXPNBXFVSOY-ZDUSSCGKSA-N 286.375 3.886 30 20 CHED CC#CCCCC(=O)Nc1ccccc1C(F)(F)F 184864140 BKMSGHQFPPOZEU-UHFFFAOYSA-N 269.266 3.838 30 20 CHED CC[C@H]1[C@H](C)CCN1C(=O)N[C@@H](CCC#N)c1ccccc1 184978751 RVKFRBXPKQETMZ-PVAVHDDUSA-N 299.418 3.861 30 20 CHED CC#CCCCC(=O)Nc1cc(OCC)ccc1OCC 184983387 FKCZKLJOWXFTGU-UHFFFAOYSA-N 289.375 3.616 30 20 CHED C#CCC(C)(C)C(=O)NCC1(c2ccc(Cl)cc2)CC1 185438797 BRIFVJMIQRKUGR-UHFFFAOYSA-N 289.806 3.537 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 185699616 GKPIGSOBVDRJLF-YOEHRIQHSA-N 287.378 3.929 30 20 CHED CC#CCCCC(=O)N(C)Cc1ccc(Cl)c(F)c1 185962921 FTBLMDWEPVQXLH-UHFFFAOYSA-N 281.758 3.631 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CC1(O)CCCCCC1 187332253 OJRVUXTYQCABAK-OAHLLOKOSA-N 286.419 3.636 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](SCC)C2)CCC1 188894510 YIUZSQBIRLLJGX-KGLIPLIRSA-N 281.465 3.913 30 20 CHED N#CCCCSCc1cc(-c2ccccc2)on1 190892444 HUWHBKSAYHLKDP-UHFFFAOYSA-N 258.346 3.879 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccc(F)cc2F)c1 208312312 MOUFYOCGTKIVES-DAXSKMNVSA-N 269.250 3.733 30 20 CHED CCCCCOc1ccc(/C=C\C(=O)c2ccnn2C)cc1 210491129 LZRXPHLBYZFOGL-FLIBITNWSA-N 298.386 3.885 30 20 CHED CSC1(CNc2ccc(C#N)cc2Br)CC1 227990391 CTICSPYVYHSBSB-UHFFFAOYSA-N 297.221 3.628 30 20 CHED O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccncc1 247726716 DYTDISXFMLXUNW-UHFFFAOYSA-N 298.345 3.734 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1ccc(OCC#N)cc1 250113385 NIDKCBGMGFJFFU-JKIFEVAISA-N 272.392 3.503 30 20 CHED O=[N+]([O-])c1cc(N=Cc2cc(Cl)ccc2O)ccc1F 255066909 NWSOEWKYPRIWGD-UHFFFAOYSA-N 294.669 3.844 30 20 CHED N#CCc1ccc(N=Cc2cc3ccccc3nc2O)cc1 255073376 BGNIQKYFRRWSEI-UHFFFAOYSA-N 287.322 3.757 30 20 CHED COc1cccc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)c1 255085811 TZTDKCBNILOXRB-KTKRTIGZSA-N 298.386 3.986 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1C#N 255338065 OXNMUCCLBBETTM-XQRVVYSFSA-N 283.352 3.833 30 20 CHED CCOCc1cc(/C=C\C(=O)c2ccco2)ccc1OC 255396229 DHZSYMNDISTVLE-VURMDHGXSA-N 286.327 3.721 30 20 CHED C=C1CCN(CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 264481459 QEXYVXVCAAASLO-UHFFFAOYSA-N 292.810 3.547 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cccc(OCC)c1 272455808 JXQCNWIJBHQABD-UHFFFAOYSA-N 299.370 3.549 30 20 CHED C[C@H](NCCCC#N)[C@H](C)c1nc2ccccc2s1 273209015 KFCUCSAJXZNZSX-RYUDHWBXSA-N 273.405 3.682 30 20 CHED CC(C)(C#N)CCCCSc1ncccc1[N+](=O)[O-] 277934141 QBAKVJFUGLIDGZ-UHFFFAOYSA-N 279.365 3.802 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C)c(C)c1O 280793601 JUQKWIVRKINVII-MPGHIAIKSA-N 289.419 3.641 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(C(F)F)c1 281124450 SPLPTMUMEOWDTH-GFCCVEGCSA-N 253.292 3.709 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc2c(cc1Cl)OCO2 281211393 CJPTYINGLBVPQB-SECBINFHSA-N 296.754 3.545 30 20 CHED CC(C)(C#N)CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 286075819 JJFBJKNNPOKDSD-BBWFWOEESA-N 296.414 3.721 30 20 CHED CCc1ccc2c(c1)[C@H](OC(=O)[C@](C)(C#N)CC)CCO2 286782573 OUKRCRBCJSAXBV-WBVHZDCISA-N 287.359 3.556 30 20 CHED N#CCCCSCc1cc2c(cc1Cl)OCCO2 289748234 NSPKGYLDADTYLR-UHFFFAOYSA-N 283.780 3.648 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(C#N)s1 290565264 SOSIBFQOBLOTTE-OAHLLOKOSA-N 271.389 3.598 30 20 CHED C=C(C)CCc1noc(-c2ccc3c(c2)CCCC3=O)n1 293397360 RPRGXUYYDZYZSO-UHFFFAOYSA-N 282.343 3.764 30 20 CHED CC1(C)CN([C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cccs1 293668377 UPUQHJCZYYBVHH-OUCADQQQSA-N 260.406 3.823 30 20 CHED C[C@@H]1CC[C@@H](C)[C@H](NCc2ccc(OCC#N)cc2)C1 295236771 SJMZPSCASCVKBR-CKEIUWERSA-N 272.392 3.503 30 20 CHED Cc1nc(N[C@@H]2C[C@@H](C)Oc3ccccc32)ccc1C#N 296373976 SWNHKEFZZRSEAP-IAQYHMDHSA-N 279.343 3.586 30 20 CHED N#CCCN[C@@H](c1c(Cl)cccc1Cl)C1CC1 297943525 AMOALWAKSUMLEP-CYBMUJFWSA-N 269.175 3.948 30 20 CHED Cc1nc(C)c(CCNc2cc(Cl)ccc2C#N)s1 301296610 XXTFPCOKCDDJPV-UHFFFAOYSA-N 291.807 3.940 30 20 CHED C=CCSCCNc1ccnc2cc(F)ccc12 301341964 FMHCFISCMJURLG-UHFFFAOYSA-N 262.353 3.705 30 20 CHED C=C[C@H](C)Nc1nc(-c2ccncc2)nc2ccccc12 301606236 NAHDBYTZOQJAMC-LBPRGKRZSA-N 276.343 3.678 30 20 CHED CC(C)CCOCCNc1ccc2cc(C#N)ccc2n1 301969402 BMZOFNLWUFSVAI-UHFFFAOYSA-N 283.375 3.581 30 20 CHED C[C@H](Sc1ccc(C#N)nn1)c1ccc(Cl)cc1 302015644 YGYZBVNOPWKOKF-VIFPVBQESA-N 275.764 3.855 30 20 CHED CC(=O)c1ccc(C#N)cc1N1CC[C@H](C)C[C@@H](C)C1 302160140 XYIFRQVLKCHOCY-QWHCGFSZSA-N 270.376 3.633 30 20 CHED CCCOc1cccc(Nc2c(C#N)cccc2C#N)c1 302770204 BFQINCARLNZWCB-UHFFFAOYSA-N 277.327 3.962 30 20 CHED Cc1cc(C)c2c(c1)CN(c1c(C#N)cccc1C#N)CC2 302897220 RIICDGABJXIEDL-UHFFFAOYSA-N 287.366 3.610 30 20 CHED N#Cc1ccc(OCCc2ccc(Cl)cc2)cc1F 308545168 PIKDKSBMFLMUFB-UHFFFAOYSA-N 275.710 3.972 30 20 CHED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1Br 309849481 IKEFXLBEHGWTKR-WDEREUQCSA-N 279.181 3.862 30 20 CHED CC1(C)CC[C@@H]1NCc1ccc(Br)cc1C#N 310302880 QTNVQMKEUSRRSC-ZDUSSCGKSA-N 293.208 3.599 30 20 CHED C#C[C@H](NC(=O)[C@@H](c1ccccc1)[C@@H](C)CC)C(C)C 312162799 SRIGGFDZZSAWIW-BHYGNILZSA-N 271.404 3.590 30 20 CHED CC1=C(C(O)=Nc2cccc(-c3ncn(C)n3)c2)CCC1 329331001 MDAHVGJKPMAARV-UHFFFAOYSA-N 282.347 3.571 30 20 CHED CS[C@@H]1CCC[C@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)C1 329347997 VSOBRXVYPUUPDM-SDDRHHMPSA-N 284.425 3.516 30 20 CHED CC[C@H]1CC[C@H](C(O)=Nc2nc3cccnc3n2C)CC1 329386870 QPLIPHOYNRGKEV-HAQNSBGRSA-N 286.379 3.773 30 20 CHED CCc1cc(C2CC2)nc(N=C(O)[C@H]2CC[C@@H](C)C2)n1 329677164 WMPVKWHMEKVDGM-PWSUYJOCSA-N 273.380 3.941 30 20 CHED OC(=Nc1ccc2ccoc2c1)[C@@H]1CCCOCC1 329961454 RPFYVERJFZJYTA-GFCCVEGCSA-N 259.305 3.838 30 20 CHED CC[C@@H]1CCC[C@@H]1/N=C(/O)c1cc(NC(C)=O)ccc1C 331018895 NHWSHBULZUOVOL-CJNGLKHVSA-N 288.391 3.837 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCC(c2ccccc2)CC1 332133481 KNWJFODSIHTDMG-FOIPXRHGSA-N 296.414 3.769 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1CCCc2ccccc21 334273573 ZJDHOHNMQBFOLW-KRWDZBQOSA-N 290.366 3.811 30 20 CHED N#Cc1cc(F)c(N2CCC[C@H]2c2cccnc2)c(F)c1 335440490 WSIZHLZBKFYJLN-HNNXBMFYSA-N 285.297 3.573 30 20 CHED Cc1ccc2sc(C(=O)N3CCC(C#N)CC3)c(C)c2c1 335773162 FRCJEHXFAHDTBR-UHFFFAOYSA-N 298.411 3.894 30 20 CHED Cc1cccc(-c2cnc(NC(=O)C(C)(C)C#N)s2)c1 336573921 XMLCAQDGYFSJLR-UHFFFAOYSA-N 285.372 3.607 30 20 CHED C=CCCC(=O)NCc1nc2cc(Cl)ccc2s1 338663701 SSRHFJRCPYNOKV-UHFFFAOYSA-N 280.780 3.532 30 20 CHED C[C@]1(CN=c2[nH]ccc(C#N)c2Cl)C[C@H]1c1ccccc1 338741077 NFVWJRPMFBYJKO-WMLDXEAASA-N 297.789 3.634 30 20 CHED C=CCOCCN1CCCCC[C@H]1c1ccc(C)o1 339001797 RSNHWHAKZARHCL-HNNXBMFYSA-N 263.381 3.708 30 20 CHED Cc1nc(S[C@@H](C)CCC#N)c2ccccc2n1 340586241 LPETVYFSLWWFHM-JTQLQIEISA-N 257.362 3.723 30 20 CHED Cc1ccnc(NCC(C)(C)CCC#N)c1Cl 340902259 QNMDXFZRTLBQSL-UHFFFAOYSA-N 251.761 3.785 30 20 CHED C=CCC[C@H](O)CN[C@H](CC(C)C)c1ccccc1 341052809 FXQKCTXOPRJZTG-DLBZAZTESA-N 261.409 3.691 30 20 CHED Cc1nsc(NCCCSc2ccccc2)c1C#N 341173935 SLMDPQHWGKBOPI-UHFFFAOYSA-N 289.429 3.918 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2cc(C#N)ccn2)C1 342210569 FBJRFIBFVKXMOQ-SFHVURJKSA-N 277.371 3.511 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)s1 345388102 YOYUUIHTQLWYQZ-LLVKDONJSA-N 295.367 3.731 30 20 CHED CC1(C)C[C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccc(F)cc2O1 348186107 LVBYCEMMUBUTEU-KYOSRNDESA-N 288.366 3.710 30 20 CHED C=CCOc1cccc(NC(=O)NCCC2(C)CC2)c1 348708173 WUGXREFYYXSDFZ-UHFFFAOYSA-N 274.364 3.563 30 20 CHED C=C(CNC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 349278632 CIBHJCIZMMSCEV-UHFFFAOYSA-N 295.317 3.532 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Nc2ncccn2)cc1 351108261 LGONFIGRCYQESV-UHFFFAOYSA-N 296.374 3.761 30 20 CHED CCCN(CCC)C(=O)C[C@@H](CC#N)c1ccccc1 353316076 ULPYRDACXHKOBH-MRXNPFEDSA-N 272.392 3.723 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1ccc(C2CCCCC2)cc1 354181149 RHVMQRACGUYZHO-ZDUSSCGKSA-N 270.376 3.718 30 20 CHED CC(C)[C@@H](Nc1cc(C#N)ccn1)c1ccc(F)cc1 355522883 MWSRPAXQQYDRGL-MRXNPFEDSA-N 269.323 3.902 30 20 CHED CC(C)=CCCNC(=O)C[C@H](CC#N)c1ccccc1 357044741 VRGVJCQQSZFDST-INIZCTEOSA-N 270.376 3.546 30 20 CHED C=CCN(C(=O)c1cccc(Oc2ccncc2)c1)C1CC1 357965473 SUSMNVUFWOQYCF-UHFFFAOYSA-N 294.354 3.665 30 20 CHED CC[C@H](NCC1(C(F)F)CC1)c1ccc(C#N)cc1 359005461 WFSYSFOPSYZUIH-ZDUSSCGKSA-N 264.319 3.644 30 20 CHED N#Cc1ccncc1N1CC=C(c2cccc(Cl)c2)CC1 359928073 YFPNTXOMDKTTAR-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C[C@H]1C[C@@H](CCNC(=O)CCCC#N)CC(C)(C)C1 360471511 BLEONNJKBOUYMR-UONOGXRCSA-N 264.413 3.649 30 20 CHED CCOCCCCN[C@H]1CCCCc2cc(C#N)ccc21 360836030 MBYRMRZMUZYIKD-SFHVURJKSA-N 286.419 3.732 30 20 CHED C=CCCOCCNC(=O)Nc1cccc(C2CCC2)c1 361794720 DJAXBVBJXKNLCF-UHFFFAOYSA-N 288.391 3.668 30 20 CHED CCCO[C@@H]1CCCN(CCCCC(C)(C)C#N)CC1 364356331 SKSLAQMLGMHYPE-MRXNPFEDSA-N 280.456 3.988 30 20 CHED N#Cc1cccnc1N[C@@H](c1ccccc1)C1CCOCC1 369344845 IVXIELRQYAPWBS-KRWDZBQOSA-N 293.370 3.533 30 20 CHED C=CCCCN1CCC(C(=O)c2cccs2)CC1 370073383 FLDQAVOFVCCVKL-UHFFFAOYSA-N 263.406 3.609 30 20 CHED CCC[C@H]1CCCCN1CCC(=O)Nc1ccc(C#N)cc1 387705729 QCOCLXULPUDBEE-KRWDZBQOSA-N 299.418 3.541 30 20 CHED C=CC[C@H](CC)N[C@H]1C[C@@H](OCC)C12CCCC2 393802421 MPLFIDMQDMOZIR-SOUVJXGZSA-N 251.414 3.669 30 20 CHED CC[C@@H]1CN(CCCCC(C)(C)C#N)[C@H](CC)CO1 403905527 WSXWGOKXAUPHOX-HUUCEWRRSA-N 266.429 3.596 30 20 CHED CC(F)(F)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 408378560 FVYBNLQSOVGHRP-UHFFFAOYSA-N 286.366 3.647 30 20 CHED CCN(CCOCC(C)C)[C@@H](C)c1ccc(C#N)cc1 409446470 PMAJCHDLKOBZFP-HNNXBMFYSA-N 274.408 3.614 30 20 CHED CCN(C(=O)[C@H]1CC2CCC1CC2)c1ccc(C#N)cc1 410521259 CAHMLDLDGPBTND-PGEKIEPBSA-N 282.387 3.737 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C(C)C)on1 412837168 HISRHFVOUHNUED-HNNXBMFYSA-N 298.386 3.715 30 20 CHED COc1cccc([C@@H]2C[C@H]2CNCC(C)(C)CCC#N)c1 414549666 BLSJZIVRBRCCMF-RDJZCZTQSA-N 286.419 3.718 30 20 CHED C=CCC[C@@H](C)NC[C@H](N)c1ccc(C(C)C)cc1 414842060 IKXQBZWFVMKTCU-PBHICJAKSA-N 260.425 3.754 30 20 CHED CCc1ccc([C@@H](C)CC(=O)NCC2(C#N)CCC2)cc1 416347707 QGADTETXOXTHFQ-AWEZNQCLSA-N 284.403 3.553 30 20 CHED N#CC1(CNCc2cccc(-c3ccccn3)c2)CCC1 418135619 BDOOFOSSMOZCJK-UHFFFAOYSA-N 277.371 3.532 30 20 CHED N#Cc1cnc(N2CC[C@H](C3CCCC3)C2)c(Cl)c1 420615407 DENKVBFIIOABLB-ZDUSSCGKSA-N 275.783 3.623 30 20 CHED Cc1cc(Cl)cc(C#N)c1Oc1ccnc(C2CC2)n1 420641513 NSVBVVLTRCMRNJ-UHFFFAOYSA-N 285.734 3.980 30 20 CHED C=C(CN[C@@H](C)C1(OC)CCCC1)c1ccccc1 421825495 NVVGGRUTFSJQFX-HNNXBMFYSA-N 259.393 3.637 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 424891904 MOYGONFRFDIRST-QBIMZIAESA-N 296.414 3.878 30 20 CHED CCc1ccccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425132006 QMMZWXNYRSLZOF-CQSZACIVSA-N 292.382 3.954 30 20 CHED N#Cc1c(N2CCC[C@@H]2c2ccsc2)ncc2c1CCC2 425208481 PAMJQQAKURBDKC-MRXNPFEDSA-N 295.411 3.845 30 20 CHED C=CCCN1CCC(c2nc3c(s2)CCCC3)CC1 425520255 XXLBBHUQAJPOCC-UHFFFAOYSA-N 276.449 3.777 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 426007251 JARSCLWSWBVELI-KLHDSHLOSA-N 276.424 3.705 30 20 CHED CC[C@@H](N=c1ccc(C#N)c[nH]1)c1ccc(Cl)s1 426901961 ZBKWQWXAQRFHGH-SNVBAGLBSA-N 277.780 3.653 30 20 CHED C=C(C)CNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 428111566 OMOQQSLXTXVLDL-UHFFFAOYSA-N 296.292 3.503 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnc(C(C)(C)C)s1 435741866 QZZOWZORFFUQDG-OCCSQVGLSA-N 294.464 3.511 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc2ccccc2s1 435743642 SZOQNVOXEZYDNV-RHSMWYFYSA-N 287.428 3.972 30 20 CHED Cc1oc(C#N)cc1C(=O)NCC1CCC(C(C)C)CC1 436186364 XUHZMZXVZBPJED-UHFFFAOYSA-N 288.391 3.652 30 20 CHED N#C[C@H]1CC[C@H](NCCc2ccccc2C(F)(F)F)C1 442721892 UTRKPPJCWDNAMD-AAEUAGOBSA-N 282.309 3.530 30 20 CHED CCn1c(-c2ccc(C#N)c(OC)c2)nc2ccc(C)cc21 443019316 AXCVSLVHJNRZCR-UHFFFAOYSA-N 291.354 3.912 30 20 CHED Cc1cc(CNc2ccccc2CCN(C)C)ccc1C#N 443998539 QEBFNBJQMJIVGI-UHFFFAOYSA-N 293.414 3.583 30 20 CHED CC(C)(C)CCN1CCN(CCCCC(C)(C)C#N)CC1 444581108 FUHIEJRFFYZKDA-UHFFFAOYSA-N 293.499 3.760 30 20 CHED N#CCc1ccc(NC(=O)c2cccc3c2CCCC3)cc1 448597996 ZYZJLLOFOZHXAL-UHFFFAOYSA-N 290.366 3.884 30 20 CHED CN(C)CCc1ccc(NC2CCC(C)(C#N)CC2)cc1 449053537 LGTFPPKKDSHWQN-UHFFFAOYSA-N 285.435 3.675 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)N(C)c1ccccc1 449079486 OTRSYJGTQLIRCW-KLHKWILBSA-N 285.435 3.573 30 20 CHED C=CC(C)(C)CNCc1nc2c(s1)C[C@H](C)CC2 449485220 LHJMXOBOKUZRIT-LLVKDONJSA-N 264.438 3.570 30 20 CHED CCCn1ccc2ccc(NC(=O)[C@]3(C#N)C[C@@H]3C)cc21 449932414 TYQZIZKAOAQQKX-SJCJKPOMSA-N 281.359 3.540 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(-c2ccccc2)nn1C 450425127 MHJXCAICPIGGQX-AWEZNQCLSA-N 297.402 3.562 30 20 CHED N#CC1(CN2CC[C@](F)(c3cccc(Cl)c3)C2)CCC1 450934102 FJDYDTUUCHUYAS-MRXNPFEDSA-N 292.785 3.904 30 20 CHED C=CCC1(C(=O)N2CCCO[C@@H](CC)C2)CCCCC1 451434199 GZCSIHNZZBWSBC-HNNXBMFYSA-N 279.424 3.541 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 452778633 YJKUDEAURMTMBP-XDQVBPFNSA-N 287.403 3.835 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cc(Cl)ccc1OCC 453352031 KORUPTFSLYECIE-TZMCWYRMSA-N 297.826 3.716 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 455311285 NPQGQWLYADSMCA-AWEZNQCLSA-N 278.783 3.763 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)NCC(C)(C)CC#N)cc1 457994089 NTUORBNRWQLMAH-CYBMUJFWSA-N 288.391 3.534 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H]2CCCC[C@H]21 459297669 RPZYVBLGKQXKNB-XJKSGUPXSA-N 299.374 3.621 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(C2CC2)cc1 459546286 UGHNRDOLBRAERL-QZTJIDSGSA-N 271.404 3.635 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1cc2ccccc2o1 464170507 XGASGNAHNWAMHU-KZULUSFZSA-N 298.386 3.981 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)NCC#Cc2ccccc2)C1 465568136 PDKKMTRGYKCJFU-IBGZPJMESA-N 298.430 3.650 30 20 CHED C=CCCN(C)C(=O)NCC(C)(C)c1cccc(Cl)c1 467009977 YROWFPDEWZNPFQ-UHFFFAOYSA-N 294.826 3.835 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1cccc(C)c1 467745145 WTEMZDOISVUVSK-SFHVURJKSA-N 273.420 3.991 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccccc1CC 467982960 XYGMKSOPGGQSJO-CQSZACIVSA-N 259.393 3.653 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(F)ccc1C#N 468952086 LIXQAEFLLVGUJV-IGCXYCKISA-N 272.367 3.850 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 472852637 NKAMZVPXLDHVNJ-OAHLLOKOSA-N 290.382 3.681 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCC2 486768047 NAHIPGUAEWSRBN-INIZCTEOSA-N 270.376 3.748 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cccn1CC=C 489018496 URBJIRVGIIPCLB-UHFFFAOYSA-N 294.398 3.545 30 20 CHED CC(C)(C)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 499068593 ISJRBYABCIIJKS-UHFFFAOYSA-N 292.382 3.786 30 20 CHED COc1cc(C#N)ccc1CN1C[C@H](C)[C@H]1c1ccccc1 501211415 WAIDSSQBGJGWER-LIRRHRJNSA-N 292.382 3.760 30 20 CHED CCN(Cc1cccc(F)c1)c1cccc(F)c1C#N 506855163 IATMEHYZXZWXDG-UHFFFAOYSA-N 272.298 3.863 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccc2c(c1)oc1ccccc12 507505875 CHZSRUFFJJKKJJ-LBPRGKRZSA-N 292.338 3.818 30 20 CHED N#Cc1cnc(Nc2ccc3c(c2)CCC3)c(Cl)c1 513614986 MCSNCSAHSGSKCR-UHFFFAOYSA-N 269.735 3.839 30 20 CHED Cc1ccc(C[C@H](C#N)SCc2ccco2)cc1 514993905 DSUJWQXZZUDXHU-OAHLLOKOSA-N 257.358 3.956 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(CCCc2ccccc2)c1 530576112 WSZLFWLKKWCUAQ-OAHLLOKOSA-N 292.382 3.960 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H](C#N)C1CCCCC1 530654225 CNQKJNHPHJLDAJ-KBMXLJTQSA-N 276.424 3.791 30 20 CHED C=CCCCCCN(C)Cc1ccc(OC)c(C#N)c1 533079652 AEJXQTAUPWMECJ-UHFFFAOYSA-N 272.392 3.745 30 20 CHED C[C@H]1CC(=O)c2c(Oc3cccc(C#N)n3)ccc(F)c21 535888119 MMFBBIQPKGLCAM-VIFPVBQESA-N 282.274 3.575 30 20 CHED C=C(CC)CSCCOc1ccccc1[N+](=O)[O-] 536880381 BREXJJPZGMIJMJ-UHFFFAOYSA-N 267.350 3.673 30 20 CHED CCC[C@@H](C)N(C)c1ccc2cc(C#N)ccc2n1 537877875 ZLPMOUJDDLJXHE-GFCCVEGCSA-N 253.349 3.731 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@H](C)C[C@@H](C)C1 538283255 SGJNQLBLUIGAID-JKSUJKDBSA-N 281.440 3.644 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCC(F)(F)F 538421919 CJIMQUGRUOJLHT-SNVBAGLBSA-N 251.292 3.580 30 20 CHED C=C(CC)CSc1nnc(Cc2ccccc2F)o1 539115521 WFTYYMNRVLFWIE-UHFFFAOYSA-N 278.352 3.858 30 20 CHED CCC1(CC)CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 548287395 RIKSMQWHBIQIMM-UHFFFAOYSA-N 290.794 3.864 30 20 CHED C[C@@H]1CN(c2nccc(C#N)c2Cl)[C@@H]1c1ccccc1 553406963 SMGPVEMRHDYXAM-ABAIWWIYSA-N 283.762 3.804 30 20 CHED C[C@H](O)C[C@@H](CNc1ccc(C#N)cc1F)c1ccccc1 562239943 IIHVDPCQHLSZFA-BBRMVZONSA-N 298.361 3.664 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCC1C[C@@H](C)O[C@H](C)C1 563275301 AUDLJOJBUZAQQF-RRFJBIMHSA-N 296.455 3.624 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 563837190 TUGDXOZYRJOWJD-ZNMIVQPWSA-N 281.440 3.641 30 20 CHED CC#CCCCc1nc([C@@H](C)c2ccccc2C)no1 563894386 OIQODVRKKOUJAH-AWEZNQCLSA-N 268.360 3.876 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1ccc(C#N)cc1 573332108 MMLDVAZACGQASW-PBHICJAKSA-N 298.430 3.774 30 20 CHED Cc1cccc(Cl)c1CC(=O)Nc1ccccc1CC#N 573722833 YPQPEMUYRNCENZ-UHFFFAOYSA-N 298.773 3.896 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CC[C@@H]2CCCC[C@@H]21 574694700 WQMKQSFLLOIHHB-BZSNNMDCSA-N 296.414 3.550 30 20 CHED CCc1ccc(S(=O)(=O)CCCCC(C)(C)C#N)cc1 580354740 RCBCZFFUXDSHGS-UHFFFAOYSA-N 293.432 3.743 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] 581044286 AMPOIIWMAWTPJU-KOMQPUFPSA-N 293.326 3.825 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)CCCCCC#N)s1 588158877 XCCGIGROAFEILL-LBPRGKRZSA-N 278.421 3.578 30 20 CHED O=C(/C=C\c1cncc(Br)c1)c1cccs1 588476823 KBQYNJMAHOWOJO-ARJAWSKDSA-N 294.173 3.802 30 20 CHED Cc1csc(NC(=O)c2cnc3ccsc3c2)c1C#N 589034620 PNAZVOWBHLQUFA-UHFFFAOYSA-N 299.380 3.790 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)NCC#Cc1ccccc1 590084213 XGOQELAJQYEEKB-ROUUACIJSA-N 298.430 3.696 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C(F)F 590120704 XTBDTCIAURMTIP-INIZCTEOSA-N 286.325 3.963 30 20 CHED N#CC1(c2ccc(-c3ccc(CO)cc3)s2)CCC1 592576780 FYVMONNWRFPFNX-UHFFFAOYSA-N 269.369 3.853 30 20 CHED CC[C@H](C#N)C(=O)N(CC)Cc1ccc2ccccc2c1 593401817 FVEDWSCGOKBUQN-OAHLLOKOSA-N 280.371 3.738 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 593649711 BQZYLHAGHACCBR-SECBINFHSA-N 270.254 3.502 30 20 CHED C[C@@H]1CN(c2nc(C#N)c(Cl)s2)CC(C)(C)C1 596191064 GPUOAYGLUOQQFU-QMMMGPOBSA-N 269.801 3.541 30 20 CHED N#Cc1ccc(CN[C@@]23CCC[C@@H]2C3)c(C(F)(F)F)c1 597178880 QLXCBXKETFPISH-TZMCWYRMSA-N 280.293 3.609 30 20 CHED CCCC[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C(C)C 598824889 QXRXYWGWTIYLPJ-BBRMVZONSA-N 266.429 3.893 30 20 CHED CCC(C#N)(CC)C(=O)NCCCSc1ccccc1 598966461 XPGPHUGFFCVNPS-UHFFFAOYSA-N 290.432 3.615 30 20 CHED CC(C)c1cnc(Sc2ncc(C#N)cc2Cl)[nH]1 599150230 HSULIIOQJRJIMS-UHFFFAOYSA-N 278.768 3.604 30 20 CHED Cc1cccc(C)c1CNc1cc(F)cc(C#N)c1 600857203 WWYOPUKWIYIJOD-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 601789771 DCDBSUQTJQMUMJ-LRDDRELGSA-N 288.366 3.723 30 20 CHED CCCNC(=O)CCCSc1ccc(Cl)cc1C#N 601910967 DPMGEAUDZAKFTN-UHFFFAOYSA-N 296.823 3.610 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CCC=CCC1 602164523 AAJMAWHVNBFJAJ-AWEZNQCLSA-N 282.387 3.824 30 20 CHED COC[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](C)CCC#N 602638719 GSZQSXAOKYLAEH-BBRMVZONSA-N 294.826 3.899 30 20 CHED C[C@H]1c2cc(F)cc(F)c2CCN1CC1(CC#N)CC1 602789481 VSMVGRLYFQOHFN-NSHDSACASA-N 276.330 3.578 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc2ccsc2[nH]1 609142957 ZJEZBRWMEUPMBD-UHFFFAOYSA-N 289.404 3.631 30 20 CHED CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C#N)s1 610509577 GHKIEDCUBPKFTK-HNNXBMFYSA-N 297.383 3.596 30 20 CHED N#Cc1ccc(NC(=O)N2CCC[C@H]2C2CC2)c(Cl)c1 610877410 OHTMHSWQCSZODW-AWEZNQCLSA-N 289.766 3.618 30 20 CHED Cc1ccc(C#N)nc1NCCCO[C@H](C)c1ccccc1 611398833 HXVLOZHWOGXJMM-OAHLLOKOSA-N 295.386 3.842 30 20 CHED CCCCc1nc(CN2CCC[C@@](C)(C#N)C2)cs1 612154803 GDEXGYGRMGIIDI-HNNXBMFYSA-N 277.437 3.611 30 20 CHED CCSc1ccccc1C(=O)N1CCC[C@](C)(C#N)C1 612364905 QRIKWHFDTKGBTI-MRXNPFEDSA-N 288.416 3.564 30 20 CHED CC[C@H](C(=O)N1CCC[C@](C)(C#N)C1)C1CCC(C)CC1 613125375 YIYZJDCXZJWMTP-UNGSAITNSA-N 290.451 3.991 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 617787859 ZBEMEBVLHDBBHJ-GFCCVEGCSA-N 295.329 3.716 30 20 CHED C=CCC1(NC(=O)Cc2cc(C)ccc2OC)CCCC1 619106105 LXHVDAANCJSFDH-UHFFFAOYSA-N 287.403 3.551 30 20 CHED C=CCC1(NC(=O)c2ccoc2C2CC2)CCCC1 619110572 MRNIYPAPIHGDQR-UHFFFAOYSA-N 259.349 3.776 30 20 CHED C=CCCCNC(=O)Cc1c(CC)oc2ccccc12 626710316 AUXCJLWITKAZNH-UHFFFAOYSA-N 271.360 3.620 30 20 CHED C=C[C@@H](Cc1nc(COC2CCC2)no1)c1ccccc1 634673162 XCVCGBJQWWLVDO-ZDUSSCGKSA-N 284.359 3.651 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cnc(C2CC2)o1 639727888 VHWLHRYKGZMCEE-UHFFFAOYSA-N 288.391 3.761 30 20 CHED C=CCCCCCN1CCC[C@H]1[C@H]1CCCOC1 645949187 QLQFXXVYMRHKEQ-HOTGVXAUSA-N 251.414 3.624 30 20 CHED C=CCCCCCN1CC[C@H](C(=O)O)[C@H]2CCCC[C@H]21 656765472 NKFKULLLWGUARA-OWCLPIDISA-N 279.424 3.698 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccccc2)C1 660219248 DUSFICIWRMKRED-GJZGRUSLSA-N 272.392 3.745 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(OC)ccc1F 666311029 ANUAVGUPHVXUQZ-UHFFFAOYSA-N 280.343 3.701 30 20 CHED C=CCC1(N[C@@H](C)CCCC(F)(F)F)CCOCC1 668551825 XUCXWEDMTLHPHJ-LBPRGKRZSA-N 279.346 3.822 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)c(C)cc1Cl 677045884 YODJFLIAIXYYMN-UHFFFAOYSA-N 288.174 3.833 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC(F)(F)C1 695713228 LAEDSODWDKNCLI-MRVPVSSYSA-N 284.693 3.586 30 20 CHED COc1cc(OC)c(C(C)=NNC2CCCC2)cc1Cl 727652743 XMJQZMHGVGIYDD-UHFFFAOYSA-N 296.798 3.613 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3nc(O)[nH]c3c2)cc1C 728157287 NRRUVWYKJXKSPT-YVMONPNESA-N 292.338 3.781 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 729074136 DCPUYLZLOCULNI-SECBINFHSA-N 289.158 3.880 30 20 CHED C=CCOCC(=O)O[C@@H](C)c1ccc2ccccc2c1 729759682 YXFONCGIJQHXME-ZDUSSCGKSA-N 270.328 3.647 30 20 CHED CC[C@H](CC(=O)OCc1ccc(F)cc1C#N)C(C)C 729761793 FQIMOYLHLHEBCD-GFCCVEGCSA-N 277.339 3.813 30 20 CHED CC/C=C(/C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 729891038 WDXASRJYTGDVFV-ZDWRTJATSA-N 264.328 3.767 30 20 CHED C#CCOc1cccc(NC(=O)c2cc(C)sc2C)c1 730978333 ODGRNYDLDKMGFQ-UHFFFAOYSA-N 285.368 3.629 30 20 CHED C#CCOc1ccc(NC(=O)C[C@H](CC)C(C)C)cc1 730980869 VZMRVGCCIBRGFJ-AWEZNQCLSA-N 273.376 3.709 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 735534707 OMDAPRKWJHLKRH-KGLIPLIRSA-N 264.752 3.953 30 20 CHED CCC(COC)=NNc1cc(C)c2ccc(C)c(C)c2n1 735972513 GWOKFWOKOXDIEP-UHFFFAOYSA-N 285.391 3.984 30 20 CHED C=C(Cl)CNC(=O)c1cc2ccc(C(C)C)cc2[nH]1 736240009 FHIQFUGIEPQUEQ-UHFFFAOYSA-N 276.767 3.774 30 20 CHED C=C(Cl)CNC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 738477875 UVOWUEOLPNGGTO-KBPBESRZSA-N 292.810 3.635 30 20 CHED CCCC(CCc1ccccc1)=NNc1ncccn1 740761185 XMIZWNMGSAHWDA-UHFFFAOYSA-N 268.364 3.677 30 20 CHED C#CCOc1ccc(C(=O)N(C)c2ccc(C)c(C)c2)cc1 741544124 LNEXQXUHXWXZBS-UHFFFAOYSA-N 293.366 3.592 30 20 CHED FC(F)COc1ccc(C=NNc2ccccc2)cc1 741811067 OXJSQZHUWGMZEG-UHFFFAOYSA-N 276.286 3.777 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1cc2cc(F)ccc2o1 741842815 IEKRPCVQQODUCD-AATRIKPKSA-N 298.317 3.818 30 20 CHED CCC(=NNc1cccc(Br)c1)[C@H]1CCOC1 741848408 UCSLZNVORVLWEM-JTQLQIEISA-N 297.196 3.664 30 20 CHED C/C(=C/C(=O)N(CCC#N)CCC(C)C)C(C)(C)C 742639420 ZNGPYFXQCPMRCT-OWBHPGMISA-N 264.413 3.767 30 20 CHED CCCCNN=Cc1cc(C)c(C)cc1OC(F)F 743438857 XBJFBEQZELBYCP-UHFFFAOYSA-N 270.323 3.628 30 20 CHED C#CCN(C(=O)c1cccc(OCCC)c1)C1CCCCC1 743690136 TXLUWOCSWYRUEC-UHFFFAOYSA-N 299.414 3.884 30 20 CHED C[C@@H](C#N)CN(C)C(=O)/C=C\c1ccc(C(C)(C)C)cc1 743876722 BDEBXVBOANMKIX-MSKHEQNASA-N 284.403 3.615 30 20 CHED N#CCC1(COC(=O)[C@H]2CCSc3ccccc32)CC1 744278914 XUQQZZWSPPQOBO-ZDUSSCGKSA-N 287.384 3.503 30 20 CHED C[C@H]1C[C@H]1C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 748682953 IUPAJLVHQBMXLU-YVEFUNNKSA-N 293.322 3.912 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)Cc2ccc(F)cc21 749005498 KQOYXSNMGYQCNB-VZUCSPMQSA-N 274.241 3.926 30 20 CHED Cc1cc(C=NOCC(C)C)c(C)n1Cc1ccco1 749631635 NAVHEQFXZPDYGF-UHFFFAOYSA-N 274.364 3.753 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(F)cc2C)c1C 750909971 QKTCSVPTGNCPTH-CLFYSBASSA-N 286.350 3.863 30 20 CHED C=CCCC(CC)=NNc1nc2cc(F)c(F)cc2[nH]1 750937926 TVVAXSCBFITORD-UHFFFAOYSA-N 278.306 3.985 30 20 CHED C[C@H]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)[C@H]1C 751905795 CGJSLPFUVLRGRA-UWVGGRQHSA-N 293.823 3.639 30 20 CHED CCc1ccc(C(C)=NNc2cnnc3ccccc23)o1 752165098 FBWVUUBZLFKELE-UHFFFAOYSA-N 280.331 3.621 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1c1cccc(C)c1C 753250112 ZIFBNHRVYCJWOR-DOTOQJQBSA-N 284.403 3.562 30 20 CHED C[C@H](NCCCSCC#N)c1nc2ccccc2s1 754708186 YSRBQSPWWXWMFN-NSHDSACASA-N 291.445 3.594 30 20 CHED Cc1cccc(C)c1/C=C\C(=O)c1ccc(O)cc1 755570270 XGWPWALUIRUMBC-KHPPLWFESA-N 252.313 3.905 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1 755825640 ZNBIZHJCKFBJDL-CYBMUJFWSA-N 287.281 3.973 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 755871471 GHHWOCHLBQXTIR-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C#CC[C@@H](NC(=O)NCC1(CC)CCC1)c1ccccc1 757035214 QNCINWNDJQUGKR-MRXNPFEDSA-N 284.403 3.631 30 20 CHED CC1(C)CCCCC1=NNc1cccc([N+](=O)[O-])c1 757560305 FOGIWLHOELZVJE-UHFFFAOYSA-N 261.325 3.963 30 20 CHED COC(=O)c1ccc(NN=C(CC(C)C)CC(C)C)nc1 758126932 LAEIYBMDZGIWKE-UHFFFAOYSA-N 291.395 3.728 30 20 CHED CC1(CC(=O)OCc2ccccc2C(C)(C)C#N)CC1 758829968 YRKUVSUQACABJK-UHFFFAOYSA-N 271.360 3.721 30 20 CHED N#Cc1cc(COC(=O)CC2CCCCC2)ccc1F 758908847 HNVLQMSZELOBIQ-UHFFFAOYSA-N 275.323 3.711 30 20 CHED Cc1ccc(CC(=O)OCc2ccc(F)c(C#N)c2)cc1C 758916978 XPXITWUNZVGDTL-UHFFFAOYSA-N 297.329 3.600 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1cccc(C#N)c1)O2 759117793 QHACCSMQXXLBJH-RQZCQDPDSA-N 275.307 3.791 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2CC23CCC3)c(OC)c1 759821944 PUJJYGMIZFGOPD-ZDUSSCGKSA-N 272.344 3.519 30 20 CHED N#Cc1ccc(/C=C/c2ccc(Cl)nc2Cl)nc1 761474913 AEIDATKVPLDKQU-GORDUTHDSA-N 276.126 3.825 30 20 CHED Fc1cc(NN=Cc2cnc(C3CC3)s2)cc(F)c1F 761812718 NKNHMPLYJDNIPI-UHFFFAOYSA-N 297.305 3.884 30 20 CHED Cc1cc(NN=C[C@@H](C)c2cccc(Cl)c2)nc(C)n1 763356435 RDLVFZQIZKRNOJ-SNVBAGLBSA-N 288.782 3.948 30 20 CHED CCC[C@H](C(=O)OCc1ccccc1C#N)C(C)C 763845078 HIIICVBEBUEJTD-HNNXBMFYSA-N 259.349 3.674 30 20 CHED COc1ccsc1/C=C1\Cc2cc(F)ccc2C1=O 764432168 JVASGWNSZIBQAG-CSKARUKUSA-N 274.316 3.718 30 20 CHED CCCCCCCCCC(=O)N=c1cc[nH]cc1F 765177594 PAUXGXGQPAPMHG-UHFFFAOYSA-N 266.360 3.722 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](CCCC)COC)cc1 766076886 SFFZYLLELRIEBM-DOTOQJQBSA-N 289.419 3.554 30 20 CHED Cc1cc(/C=C\C(=O)c2ccsc2)ccc1C#N 766491353 NVMCHFOVAUDAGP-HYXAFXHYSA-N 253.326 3.824 30 20 CHED O=C1/C(=C/c2cc(F)c(F)cc2F)COc2ccccc21 767718727 VHFGUUAOYDNMQR-BJMVGYQFSA-N 290.240 3.763 30 20 CHED Cc1ccc([C@@H](C)C(=O)OCCCCC(C)(C)C#N)o1 768739424 QPZULNMBJGJFRY-CYBMUJFWSA-N 277.364 3.955 30 20 CHED CCCCCCCC(=O)Oc1ccc(C#N)cc1F 769738459 HRULUCANTRSXAI-UHFFFAOYSA-N 263.312 3.963 30 20 CHED COc1cc(/C=C/C(=O)c2ccco2)c2c(c1)C[C@H](C)O2 769784207 QUDTUBHHWIAZJK-QRGHLMKCSA-N 284.311 3.508 30 20 CHED CCCCOc1ccc(C(=O)O[C@H](C)C#N)c(Cl)c1 770433615 QNJZRXLFCBUXHC-SNVBAGLBSA-N 281.739 3.588 30 20 CHED C=CCSCCNC(=O)C=C(CCC)CCC 770716804 MISUJFVANSLIMA-UHFFFAOYSA-N 255.427 3.548 30 20 CHED N#Cc1ccc(CC(=O)O[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 771012800 WIEZYPVFCVSFNT-BRWVUGGUSA-N 283.371 3.613 30 20 CHED C=CCN(Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1 771640563 HUPQTFRSBYIUKJ-UHFFFAOYSA-N 275.392 3.546 30 20 CHED C#CC[C@H](N[C@@H](C)CC1CCOCC1)c1ccccc1 773116422 ROVRGOOCIRTKAW-YJBOKZPZSA-N 271.404 3.546 30 20 CHED C#CCCCCC(=O)N(CCC)[C@@H]1CCc2ccccc2C1 773280717 FOQLSVQBGXQMCB-LJQANCHMSA-N 297.442 3.976 30 20 CHED Clc1cccc(Cl)c1C=NOC1CCOCC1 774438614 UIDDWGUTYJUIOJ-UHFFFAOYSA-N 274.147 3.523 30 20 CHED C=CCN(C(=O)Nc1ccnn1[C@@H](C)CC(C)C)C(C)C 775764726 FSNXSINEMOGWFF-AWEZNQCLSA-N 292.427 3.919 30 20 CHED N#CC1(COC(=O)c2ccc(Oc3ccccc3)o2)CC1 775865097 NCMIFILWRKUGLL-UHFFFAOYSA-N 283.283 3.532 30 20 CHED CCCC(CC)=NNC(=S)Nc1ccc(OC)cc1 776182756 DZNXYCHCZQPKNZ-UHFFFAOYSA-N 279.409 3.548 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(OC)cc1O 776256129 KWIZFVXGGSOVPH-CYBMUJFWSA-N 263.381 3.625 30 20 CHED C=C(Cl)CSCc1ncc(C)c(OC)c1C 776895876 HJYARNNYZCLDLA-UHFFFAOYSA-N 257.786 3.693 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)Cc1ccccc1CC#N 776939983 VSDIFIDVPPRXIJ-CQSZACIVSA-N 286.419 3.626 30 20 CHED CC(=NOC1CCCCC1)c1sc(C)nc1C 777459273 PGKLQLXRDHOWOV-UHFFFAOYSA-N 252.383 3.833 30 20 CHED COC[C@@H](C)NN=Cc1sc2ccccc2c1Cl 777893635 ARSXGFHKIQZLCD-SECBINFHSA-N 282.796 3.513 30 20 CHED C=CCC[C@H](C(=O)O[C@H](C)CCOC)c1ccccc1 778688963 LMFXXWSJSLSJGN-ZBFHGGJFSA-N 276.376 3.705 30 20 CHED Clc1ccc(C=NNc2ccc3[nH]ncc3c2)cc1 779817205 CQQXIZCQNFFAQE-UHFFFAOYSA-N 270.723 3.662 30 20 CHED C#CCCCCCC(=O)N(c1nc(C)cs1)C1CC1 779959462 QBZQYIVMOWCCSF-UHFFFAOYSA-N 276.405 3.531 30 20 CHED C#CCCCCCC(=O)OCc1cc(-c2ccco2)on1 780255201 MNKSPCJNBRVXED-UHFFFAOYSA-N 287.315 3.562 30 20 CHED C#CCCCCC(=O)Nc1cc(-c2cc(C)ccc2F)[nH]n1 782013349 OHZUXCVFGYTGMR-UHFFFAOYSA-N 299.349 3.656 30 20 CHED CC(=NNc1ccccc1Br)[C@]1(C)CCCO1 782185074 AJWJDAQOIUGXDN-ZDUSSCGKSA-N 297.196 3.806 30 20 CHED O=C(O)c1ccc(C=NOCc2ccccc2)c(Cl)c1 783821014 KGDFGULBKIVHEL-UHFFFAOYSA-N 289.718 3.589 30 20 CHED Cc1ccsc1C(=O)OCc1ccc(C#N)cc1Cl 784187395 MOKQOQRWBFJUMY-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C=CCCCCCOC(=O)C(C)(C)C1CCC(O)CC1 785017783 IIJNFAHJIVVNQQ-UHFFFAOYSA-N 282.424 3.853 30 20 CHED CCOc1cccc(/C=N\Cc2cccc3cc[nH]c23)c1O 786027734 QCRCPNCBIKJNPD-UNOMPAQXSA-N 294.354 3.891 30 20 CHED C=CCCN(C)Cn1nccc1-c1ccc(F)c(Cl)c1 786101407 FTQLPQJCXOLGPC-UHFFFAOYSA-N 293.773 3.808 30 20 CHED CC(C)[C@H](C#N)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786384841 YZGUUAZSLZHJEN-LRDDRELGSA-N 284.359 3.753 30 20 CHED C#Cc1ccc(CNc2ccc(C)cc2CN(C)C)cc1 787774018 SLVHSGVRKVGORV-UHFFFAOYSA-N 278.399 3.650 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@@H]1CCOc2c(C)cccc21 789678399 IIEXSUHJOSJCIV-RHSMWYFYSA-N 274.360 3.964 30 20 CHED CC[C@H](C)NN=Cc1csc(-c2ccc(OC)cc2)n1 790182343 JEKFTMJTBSCHMB-NSHDSACASA-N 289.404 3.541 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1cc2c(C)nn(C)c2s1 793112103 PGUHLTMXIYNGBJ-LLVKDONJSA-N 292.452 3.691 30 20 CHED CC[C@H](C)CON=C(C)c1ncc(Br)s1 793164064 RFJIGQBSCSRCDK-ZETCQYMHSA-N 291.214 3.692 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)CCc2ccc(O)cc21 794959845 FDTVNLDMLVXVAY-KPKJPENVSA-N 285.730 3.653 30 20 CHED CCCNc1ccc(C#N)cc1NCc1cnc(C)s1 795267128 UTKAFUVOWVVHLQ-UHFFFAOYSA-N 286.404 3.757 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCCc3ccc(F)cc32)cc1 797236906 SUUUBCOIQJZBIM-QGZVFWFLSA-N 295.313 3.932 30 20 CHED Cc1ccc(C(=O)O[C@H](c2ccccn2)C(C)C)cc1C#N 799606666 JTNUEKYZIWMIEA-KRWDZBQOSA-N 294.354 3.816 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(-c2csc(C)n2)cc1 799729359 KNPRFYUMRXGXOD-HNNXBMFYSA-N 298.411 3.650 30 20 CHED C[C@H](COC(=O)C(C)(C)C#N)c1ccc(C(F)(F)F)cc1 800140735 VAUCYEPEGBKSMX-SNVBAGLBSA-N 299.292 3.902 30 20 CHED C[C@@H](C#N)OCCN[C@H](CC(C)(C)C)c1ccccc1 801937846 XGJVHBHSKFQGMS-GOEBONIOSA-N 274.408 3.682 30 20 CHED C=C(C)CCOC(=O)c1cc(C)oc1C(F)(F)F 803440653 LEANCPNFIVMJDX-UHFFFAOYSA-N 262.227 3.730 30 20 CHED N#CCCCCCC(=O)OCc1ccc(C#N)cc1Cl 805696963 MWLRUVRLTYYIMV-UHFFFAOYSA-N 290.750 3.729 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(-c2ccccc2)cc1C 806199062 UWYSRGLSOQRSQW-CQSZACIVSA-N 278.355 3.805 30 20 CHED CC[C@@H]1CCC1=NNCc1cnc2ccccc2c1 807977040 YJHMTRWAFIBFBM-CYBMUJFWSA-N 253.349 3.500 30 20 CHED C=CCCCCCCNCc1c(CC)nn(C)c1Cl 808418681 ALXXBXOBSFTMFM-UHFFFAOYSA-N 283.847 3.862 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccccc2C)no1 810276341 MQNDOFVBDZWFMZ-UHFFFAOYSA-N 274.323 3.617 30 20 CHED C=CCCCCOC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 811011841 OGTLTFOPPXEFRE-KGLIPLIRSA-N 266.381 3.527 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCCC[C@H]1C 811665645 RPCGOEYTROVUJI-KGLIPLIRSA-N 260.381 3.610 30 20 CHED Cl/C=C/CON=C1CCCC[C@H]1N1CCCCC1 811669340 OACYXBIJERDVHW-CLAJDOOESA-N 270.804 3.540 30 20 CHED Cc1ccc2c(c1)OCCCC2=NOC/C=C\Cl 811669878 KTBDINCSTRABDC-RGJJDVKGSA-N 265.740 3.641 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NOC/C=C/Cl 811670384 RCEJUHJBLTUHKD-QMEKUYRWSA-N 277.755 3.641 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/C=C\c1ccccc1)C2 811695285 CARGFAYXFGZDLS-VDHUBAETSA-N 271.319 3.937 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)CSc1ccccc1)C(C)(C)C 813777421 JUWDEXGPCLABLS-ZFWWWQNUSA-N 289.444 3.579 30 20 CHED COc1ccc(-c2nc(C=NOCC3CC3)cs2)cc1 814244748 IBLIFENSRQUCIU-UHFFFAOYSA-N 288.372 3.579 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(N2CCCCC2)cc1 814699014 YMKHAZKTPQBFOG-UHFFFAOYSA-N 294.345 3.827 30 20 CHED C[C@H](C=NNc1cncc(Cl)n1)C1CCCCC1 814797226 CQKDHKOSPRWWMX-SNVBAGLBSA-N 266.776 3.744 30 20 CHED C[C@H](NN=Cc1cccc2cc[nH]c12)c1ccccc1 814815571 CBCZDUBRQRFNNL-ZDUSSCGKSA-N 263.344 3.853 30 20 CHED Cc1cc(C)c(NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)c(C)c1 814860330 PMCSDUQCFNOALY-KBPBESRZSA-N 288.391 3.901 30 20 CHED COc1ccccc1CON=C(C)c1ccc(C)nc1C 814923172 ALIYKTXOHGFMMZ-UHFFFAOYSA-N 284.359 3.648 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](O)C12CCCC2 817573936 FFZYRUKRFSAVEH-OAHLLOKOSA-N 281.440 3.643 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)CCCN)cc1 817977756 OERUFNURZWDVJD-KGLIPLIRSA-N 296.842 3.596 30 20 CHED C#Cc1cccc(NC(=O)/C=C\Sc2ccccc2)c1 819404919 PEJCXGXBABFUBP-QXMHVHEDSA-N 279.364 3.912 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)OCC(C)(C)CCC#N 820966840 WYXVHGPFIXMRFN-OLZOCXBDSA-N 251.370 3.686 30 20 CHED Cc1cc(CN(C)C[C@@H](C)C#N)ccc1N1CCCCC1 827641955 WYIHZPWQTYGAJO-HNNXBMFYSA-N 285.435 3.577 30 20 CHED C/C(=C\C(=O)N[C@](C)(C#N)C1CCCCC1)c1ccco1 827855470 DMPHIXGLQCDERZ-MLFXKNMZSA-N 286.375 3.662 30 20 CHED Cc1cc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)cs1 834447319 KEQYMKRJYWNERV-AATRIKPKSA-N 274.389 3.973 30 20 CHED CSC1(C=NNc2cc(C(F)(F)F)ccn2)CCC1 834984124 OMJVPXISNXRDQY-UHFFFAOYSA-N 289.326 3.784 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccc(C(=O)O)c(F)c2)C1 835009940 IVSHUSCIRFIULA-GHMZBOCLSA-N 278.327 3.748 30 20 CHED CCCCCCCC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 836877224 DILNSBWNCVTZJP-WBVHZDCISA-N 263.425 3.994 30 20 CHED C=CCCCCOC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 837394653 HHJJALNLHZDNOI-RCDYEMGKSA-N 292.419 3.607 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C(F)(F)c2ccc(F)cc2)C1 839048268 MGIGMQFYGYANFU-MFKMUULPSA-N 297.276 3.543 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)O[C@H]1CCC[C@H](C#N)C1 839052612 HKEONRDQQZPTAD-DZKIICNBSA-N 293.407 3.740 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2CCCc3sccc32)C1 839054226 LBHVLAUWHCGLJP-DYEKYZERSA-N 289.400 3.794 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C)cc1SC 841306436 KXAUGHYUMOBLAI-UHFFFAOYSA-N 261.390 3.705 30 20 CHED Clc1cccc([C@@H]2CCC(=NNc3ncccn3)C2)c1 841619687 PONUMZZBKSMLFJ-GFCCVEGCSA-N 286.766 3.866 30 20 CHED CCc1ncc(C=NNc2ccc(C(C)C)cc2)cn1 841642845 BRTALQBJKGDCIU-UHFFFAOYSA-N 268.364 3.608 30 20 CHED N#C[C@@H](COC(=O)/C=C\C1CCCC1)Cc1cccs1 842745954 IOIDWTWHHLXEGT-DANTVBBOSA-N 289.400 3.720 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccnn1CC(C)C 843269416 QDTSGVJZJIDESJ-VOTSOKGWSA-N 298.386 3.752 30 20 CHED C#C[C@H](NC(=O)C1(c2ccccc2C)CC1)c1ccccc1 843640068 XBPIMDDCXJGJRS-SFHVURJKSA-N 289.378 3.517 30 20 CHED C[C@H]1CCCCCC1=NNc1cc(C#N)cc(Cl)n1 844588075 LKSWHDUOYLDOCJ-JTQLQIEISA-N 276.771 3.975 30 20 CHED C=C(C)[C@H]1CC=C(COC(=O)C[C@@H](C)n2ccnc2)CC1 845486604 XZEZVYVVNXJIFI-ZBFHGGJFSA-N 288.391 3.680 30 20 CHED CCCC(C)(C)C(=O)OC[C@@H](C#N)Cc1cccs1 845503292 QYMXSNXCNJIHNY-GFCCVEGCSA-N 279.405 3.800 30 20 CHED C=C[C@@H](C)ONC(=O)[C@@H](CC)Oc1ccccc1C(C)C 846543879 CVPGHQHXHJRAQH-UKRRQHHQSA-N 291.391 3.590 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C 847681626 PWLQOHUASHZBOF-FZMZJTMJSA-N 290.407 3.657 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCc1ccc2[nH]ccc2c1 851207459 CVKPKMZPJGFAHA-CYBMUJFWSA-N 298.386 3.972 30 20 CHED Cc1cc2ccccc2n1CC(=O)O[C@@H](C)CC(C)(C)C#N 851213614 RWECDUPLSICHBB-AWEZNQCLSA-N 298.386 3.821 30 20 CHED C=CCC1(NC(=O)c2cnc(F)c(C)c2)CCCCC1 857625945 ZSBMQNASRFEDAJ-UHFFFAOYSA-N 276.355 3.538 30 20 CHED C#CCCOC(=O)N1CC2(CCCC2)c2c(F)cccc21 858929342 GYIAHULLVKRNGP-UHFFFAOYSA-N 287.334 3.617 30 20 CHED C#CCCOC(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 859126012 XRDLYIPKEWMQEC-NSHDSACASA-N 299.292 3.558 30 20 CHED CCC(=O)c1ccc(OC(=O)C(C#N)(CC)CC)c(F)c1 860611143 HFSFFZGRTJVQSU-UHFFFAOYSA-N 291.322 3.654 30 20 CHED C#C[C@@H](OC(=O)[C@@H](C)c1c(C)noc1C)c1ccc(C)cc1 860964426 PVGOZVQXCUQLOQ-BLLLJJGKSA-N 297.354 3.621 30 20 CHED Cc1cccc(NN=Cc2cccc(OC3CC3)c2F)n1 863160832 RZZBWVJBUXZFMO-UHFFFAOYSA-N 285.322 3.516 30 20 CHED C=CCNc1ncc(C(=O)N(CCCCC)C(C)C)s1 863941774 KYOHMNRNNVDREV-UHFFFAOYSA-N 295.452 3.782 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1cccc(C(F)F)c1 878541011 IPOSYTVCDMWRMZ-AWEZNQCLSA-N 266.291 3.548 30 20 CHED C=C1CCC(C(=O)Nc2cccc(COCC)c2)CC1 888709493 JBEHAOBTQGBYOU-UHFFFAOYSA-N 273.376 3.908 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnc(Cl)cc1Cl 890998246 USFPWGBMFLJBDD-UHFFFAOYSA-N 273.163 3.929 30 20 CHED CC(C)(CC#N)CNc1cc(C2CC2)nc(C2CC2)n1 894158588 HNPNHDDNNSCCEQ-UHFFFAOYSA-N 270.380 3.583 30 20 CHED C=CCC1(O)CCN(Cc2ccc(F)c3ccccc23)CC1 895827035 IQLGHYRRJQJYKD-UHFFFAOYSA-N 299.389 3.882 30 20 CHED CC(C)(C)c1ccccc1C(=O)Nc1ncc(C#N)s1 896485191 WFUFZKOPIOEXPL-UHFFFAOYSA-N 285.372 3.565 30 20 CHED N#CC1(CCCCOc2cc(F)ccc2[N+](=O)[O-])CCC1 901381893 SKEXNRHXRGVTJF-UHFFFAOYSA-N 292.310 3.977 30 20 CHED CC[C@@H](NCc1ccc(Cl)nc1)c1cccc(C#N)c1 902755063 KLUANXIASYHRRQ-OAHLLOKOSA-N 285.778 3.848 30 20 CHED CC[C@@H](NC1CCC(O)(CC)CC1)c1cccc(C#N)c1 902848871 CDXOLTFSTSQBTE-LXPRWKDFSA-N 286.419 3.683 30 20 CHED CC[C@@H](NC[C@@H](O)c1cccc(C)c1)c1cccc(C#N)c1 902880203 FVAQSTBDCSQCFO-RTBURBONSA-N 294.398 3.641 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(C(F)(F)F)cn1 903014371 RCQVEDOQIAZQNF-SNVBAGLBSA-N 258.287 3.717 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cc(Cl)c(Cl)cc1O 903101790 MHQXXNQQVRQNRC-QMMMGPOBSA-N 287.190 3.899 30 20 CHED CSCCCCc1noc(CC2(C#N)CCCCC2)n1 903779489 BCVWJQPMKAMJRX-UHFFFAOYSA-N 293.436 3.772 30 20 CHED C=CC[C@H](c1ccccc1)c1nc(Cc2cccnc2)no1 904676664 BHYBURQJUVOBNH-MRXNPFEDSA-N 291.354 3.763 30 20 CHED N#CC1(CCCCOC(=O)c2cccc(Cl)n2)CCC1 908963623 FMTVCLRJRIKGRT-UHFFFAOYSA-N 292.766 3.756 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)c1c(C)n[nH]c1C)c1ccccc1 910072253 OAMWORRMFCQNRP-MLGOLLRUSA-N 297.402 3.564 30 20 CHED CCCCCCCCOc1ccc(S(C)(=O)=O)cc1 915663344 UOCMSAFSDCYWBN-UHFFFAOYSA-N 284.421 3.829 30 20 CHED COc1cccc(O)c1/C=N/CC1(c2ccc(F)cc2)CC1 915982887 GQDOKHHAKSFTPB-RGVLZGJSSA-N 299.345 3.691 30 20 CHED CCCn1cccc1C=NNc1nccc2sccc12 918151901 FPQVHVGURQNARD-UHFFFAOYSA-N 284.388 3.954 30 20 CHED COc1ccc(C(C)=NNc2cc(F)cc(F)c2)c(F)c1 920376691 NZUMQYSAZWDTQH-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CCOc1ccc(OCC)c(N=Cc2ccccc2O)c1 920944228 RSHGRPLEHHCBLD-UHFFFAOYSA-N 285.343 3.940 30 20 CHED COc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)c(OC)c1 921263541 FUONNQMKBPTIJL-OQLLNIDSSA-N 294.350 3.835 30 20 CHED N#CC1(CCOC(=O)c2nccc3occc23)CCCCC1 923770625 ZUNRUTGWERASHL-UHFFFAOYSA-N 298.342 3.849 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCCOc2ccccc21 924880881 DILPRAVMGBLNNM-ZFWWWQNUSA-N 272.392 3.818 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](c2ccccn2)C2CC2)C1 925571924 GWHMYZAIKWPFMY-WMLDXEAASA-N 299.418 3.530 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cnn(-c2ccccc2F)c1 925938375 PQWOFXZFXYFMJJ-GFCCVEGCSA-N 286.354 3.752 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OCC)cc2C)CC1 929852580 COEUILAMVHOJQK-UHFFFAOYSA-N 274.364 3.578 30 20 CHED C[C@@H](NCc1coc(C(C)(C)C)n1)c1cccc(C#N)c1 930214725 VZADBADUFWONTN-GFCCVEGCSA-N 283.375 3.695 30 20 CHED C=C1CCN(C(=O)Nc2ccc(F)cc2OC(C)C)CC1 930756985 HMSHTECANRFMKL-UHFFFAOYSA-N 292.354 3.797 30 20 CHED CC[C@@H](NCCC(C)(C)C#N)c1cc(F)ccc1OC 932469372 PWBDUIDMHQZWKB-CQSZACIVSA-N 278.371 3.815 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2ccc3c(c2)CCC3)s1 1116139028 DOZKONJIYLXTTA-ALCCZGGFSA-N 298.363 3.831 30 20 CHED COc1cccc(COC(=O)CC2(C#N)CCCCC2)c1 1118479980 YINXPEIKCNWVKH-UHFFFAOYSA-N 287.359 3.603 30 20 CHED CC(C)(C)[C@@H]1CCN1C(=O)N[C@H](CCC#N)c1ccccc1 1123529904 XMCJEPWDEIJZDY-CVEARBPZSA-N 299.418 3.861 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2cccc(CC#N)c2)CCC[C@H]1C 1127768380 ZZDQJOFTOFLQES-WWGRRREGSA-N 271.360 3.734 30 20 CHED N#CC[C@@H](C(=O)N1CCC2(CCCC2)CC1)c1ccccc1 1129268215 OCXFIJFGKNJALL-QGZVFWFLSA-N 296.414 3.867 30 20 CHED CSc1ccsc1C(=O)Nc1cc(C#N)ccc1F 1129715053 FSNKSVVIXXDEOB-UHFFFAOYSA-N 292.360 3.733 30 20 CHED CC[C@H]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1136756901 VJCFDTBAFWFZAX-WMZOPIPTSA-N 298.430 3.798 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2ccccc2CC#N)c1 1150439379 RCSHDVRABGGJBK-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CCC[C@H](NCc1ccc(F)cc1C#N)C1CCC1 1171035434 AZEAHEHLGVNRJD-INIZCTEOSA-N 260.356 3.756 30 20 CHED Cc1cc(C)cc(NC(=O)Nc2cc(F)cc(C#N)c2)c1 1202844611 COVAOOQGBZLVDY-UHFFFAOYSA-N 283.306 3.958 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc2ccccc2c1 1255018481 GBNPTYVBTKLBBI-DYVFJYSZSA-N 255.361 3.691 30 20 CHED CCCOc1cccc(C(=O)O[C@H](CC#N)c2ccco2)c1 1263660271 AYRXPKGQPZKCMB-MRXNPFEDSA-N 299.326 3.880 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2cc(C#N)ccc2C)cc1 1264438769 ZGGQNIZPXBIYDW-AWEZNQCLSA-N 278.355 3.666 30 20 CHED CCCOc1cccc(C(=O)Nc2cc(F)cc(C#N)c2)c1 1287795950 CBDJKCLKHWBMQJ-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C[C@H](C#N)C(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 1294473540 HXZWHIOZQKHSMZ-DYVFJYSZSA-N 296.345 3.533 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1nc(C#N)c(Cl)s1 1306981079 CDXYGKMPHLBQFT-SMDDNHRTSA-N 289.791 3.810 30 20 CHED N#Cc1cnc(NCc2ccc3ccccc3c2)c(F)c1 1306983379 XFDVQUZKMJICMV-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CS[C@@H]1CC[C@@H](N(C)CC#Cc2ccc(Cl)cc2)C1 1318960396 MTFNLERTMKLWQT-HZPDHXFCSA-N 293.863 3.907 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2)ccc1F 1319468177 PIAOUGHNRPOAMZ-NTMALXAHSA-N 256.276 3.730 30 20 CHED CCCCCCCc1nc(Cc2cscn2)no1 1320189234 JGFSXQWUDWWLKN-UHFFFAOYSA-N 265.382 3.630 30 20 CHED N#CCc1cccc(NCCC2=CCCCCC2)n1 1320359924 YAEYIKJDJCCNOR-UHFFFAOYSA-N 255.365 3.840 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccc(Cl)s3)o2)cc1 1322257042 QBELCIVLGIVDSF-UHFFFAOYSA-N 287.731 3.990 30 20 CHED Cc1nc2c(s1)[C@H](Nc1ccc(OCC#N)cc1)CCC2 1324966886 UTZVWXGJYWMCAE-OAHLLOKOSA-N 299.399 3.843 30 20 CHED C[C@H](c1ccco1)N(C(=O)c1csc(C#N)c1)C1CC1 1326418563 UCLXQAFNKUMGJU-SNVBAGLBSA-N 286.356 3.579 30 20 CHED COc1cc(NC(=O)CCC2CCCC2)c(F)cc1C#N 1332604357 SCDLVTRKHHPQPY-UHFFFAOYSA-N 290.338 3.615 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1CCO[C@H](CC)C1 1336215107 BCPQSVBPGDRPLM-BZUAXINKSA-N 279.424 3.539 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C)c(C(C)=O)c1 1337488229 LFOGCOMKSCBEDS-MRXNPFEDSA-N 285.387 3.768 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccc(Cn2cccc2)cc1 1342661369 YDANLSAKGRPIIP-INIZCTEOSA-N 296.370 3.631 30 20 CHED C#CCC1(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CCCCC1 1343481564 QEIRLLAYJORIRU-IAGOWNOFSA-N 287.447 3.999 30 20 CHED FC(F)(F)[C@H]1CC(=NNc2ccccc2Cl)CCO1 1343872125 OCDJITCMUWSLDB-LLVKDONJSA-N 292.688 3.849 30 20 CHED CC(C)CC1(CNC(=O)c2sccc2C#N)CCCC1 1517703404 RPLWMGXOEUWGFX-UHFFFAOYSA-N 290.432 3.956 30 20 CHED COc1ccc(NC(=O)[C@@H](C)CC2CCCC2)cc1C#N 1535536769 MLMYGXNXUXFQCZ-LBPRGKRZSA-N 286.375 3.722 30 20 CHED Cc1ccc(C[C@@H](C)N(C)C(=O)c2csc(C#N)c2)cc1 1538616344 NPHGANXYOGHDNQ-CYBMUJFWSA-N 298.411 3.631 30 20 CHED C[C@H](C#N)N(C)C(=O)c1cc2c(Cl)cccc2s1 1544670405 XBQGLCHJPZHEDC-MRVPVSSYSA-N 278.764 3.539 30 20 CHED Cc1cc(N2CCC[C@@]2(C)Cc2ccccc2)ncc1C#N 1559159791 RSJZMUVBYARQMJ-IBGZPJMESA-N 291.398 3.863 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNCc1ccc(OC)c(C#N)c1 1560489006 VXVJEHQINIKMOM-HZPDHXFCSA-N 286.419 3.873 30 20 CHED C=C(Cl)CNC(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 1564828137 WAYVIOABJCJBSY-HUUCEWRRSA-N 292.810 3.622 30 20 CHED C[C@@H]1C[C@@H](OC(=O)c2cc(C#N)cs2)CC(C)(C)C1 1587192588 PRMSEQOCDQGECV-ZYHUDNBSSA-N 277.389 3.991 30 20 CHED C=C(C)c1cccc(NC(=O)c2ccc(/C=C\C(=O)O)o2)c1 1588606288 VEHDPLJIJQKOKV-CLFYSBASSA-N 297.310 3.663 30 20 CHED C=CCCC[C@@H](Nc1nccc(C(=O)O)n1)c1ccccc1 1588798589 LANXWDSJMYFPLT-CQSZACIVSA-N 297.358 3.684 30 20 CHED C=CC[C@H](Sc1ccc2c(c1)CC(C)(C)O2)C(=O)O 1602848983 JFJIZZTYTNEXDE-ZDUSSCGKSA-N 278.373 3.522 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2cc(Cl)ccc2F)c1 1608985536 GNPZQDXUPNYYED-DAFODLJHSA-N 294.665 3.666 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccsc1C 1622947323 ULJOPAHXWWUAGL-UHFFFAOYSA-N 285.372 3.612 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2cc(C#N)c(F)cc2F)CC1 1624592711 UPZRUOTVLRGBFJ-XYPYZODXSA-N 292.329 3.991 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CC(C)(C)c3ccccc32)n1 1642420094 MXOPUQWZHVVZIF-OAHLLOKOSA-N 292.386 3.745 30 20 CHED CC(C)[C@H]1CCC[C@H](Nc2ncccc2C#N)CC1 1642600573 PFWOPGZYKJPQAZ-ZFWWWQNUSA-N 257.381 3.970 30 20 CHED CCc1ccc2c(c1)CCN2CCCC(C)(C)C#N 1648581329 FVOWZHZESMCOBT-UHFFFAOYSA-N 256.393 3.941 30 20 CHED Cc1cc(N2CCC(C)(CC(C)C)CC2)ncc1C#N 1651118229 LKNOUGCXCYYGLF-UHFFFAOYSA-N 271.408 3.914 30 20 CHED CCCOc1ccc(CN(C)[C@@H](C)CC#N)cc1C 1663717844 RWIQFIGZQDKAID-AWEZNQCLSA-N 260.381 3.518 30 20 CHED Cc1c(NN=Cc2cc3sccc3[nH]2)cccc1C(=O)O 1776089894 MGXLIIHAPPKAOR-UHFFFAOYSA-N 299.355 3.682 30 20 CHED CC(=NOC1CCCC1)c1cnc2ccccc2c1C(=O)O 1776112111 HWXSQZZDLLEOIN-UHFFFAOYSA-N 298.342 3.616 30 20 CHED O=C(/C=C/c1ccc(C(=O)O)c(F)c1)c1cccc(F)c1 1776129408 HWOIDMNUKLNNST-FNORWQNLSA-N 288.249 3.559 30 20 CHED C=CC[C@]1(C(=O)O)CCN(C[C@@H]2CCCC(C)(C)C2)C1 1776159145 STEFMJCAVHUOMO-PBHICJAKSA-N 279.424 3.556 30 20 CHED O=C(O)c1cncc(C(=O)/C=C\c2ccccc2C2CC2)c1 1777694994 PDLGXTNGAIONRE-FPLPWBNLSA-N 293.322 3.553 30 20 CHED CC[C@H](C(=O)N(C)c1cccc(C#N)c1)c1ccccc1 59095620 HDQIJCAPKGDLGC-KRWDZBQOSA-N 278.355 3.715 30 20 CHED Cc1nc(CSCc2ccc(C#N)cc2F)cs1 105637062 XOVXFYYVYRTKPS-UHFFFAOYSA-N 278.377 3.896 30 20 CHED Cc1ccc(-c2ncc(CNCCCCC#N)s2)cc1 172037249 BWLVSOZOMDXNSG-UHFFFAOYSA-N 285.416 3.902 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H]2C[C@H]2C2CC2)c1 177101476 VFVKXKVRFFZBBV-HOTGVXAUSA-N 271.360 3.626 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C)cc1OCC 105007322 PSZNRRQDZKMWIU-UHFFFAOYSA-N 276.380 3.824 30 20 CHED C=C(C)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 134446718 KUKMLTOPSLHNGH-SNVBAGLBSA-N 290.354 3.917 30 20 CHED CN(CCCCC#N)CCc1ccc(Br)cc1 106861842 FQQUKZNGPQOIAG-UHFFFAOYSA-N 295.224 3.617 30 20 CHED CCCCCCCn1cc(C(F)(F)F)ccc1=O 103951162 NWKMPXBKOUDKCB-UHFFFAOYSA-N 261.287 3.838 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)CC1CCCCC1 110012982 JRFLCRNOROUXMT-LJQANCHMSA-N 298.430 3.988 30 20 CHED CCCCCCCC(=O)Nc1cnn(CC(F)(F)F)c1 118235960 CACUCNBHIPVAHO-UHFFFAOYSA-N 291.317 3.744 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCCN(C2CCCC2)CC1 172582454 GFNUPHBESFJZDI-MRXNPFEDSA-N 297.446 3.570 30 20 CHED CN(Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc2C1 172276989 NEFDYMHJQUBKHJ-LJQANCHMSA-N 276.383 3.548 30 20 CHED CN(Cc1ccc(F)cc1C#N)[C@@H]1CCc2ccccc21 171375654 IIDHRNUEVIACRA-GOSISDBHSA-N 280.346 3.817 30 20 CHED C[C@H]1C[C@@H](C)CCN(c2nc(C(F)(F)F)ccc2C#N)C1 301763505 FGWHHQSZOMWPNF-QWRGUYRKSA-N 297.324 3.844 30 20 CHED C=CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 22463124 QWGCFVBATALVAQ-UHFFFAOYSA-N 292.426 3.580 30 20 CHED N#Cc1ccc(N2CCC[C@H]2CCc2ccccc2)nc1 76846838 YDMQOTIBMFPBSN-KRWDZBQOSA-N 277.371 3.555 30 20 CHED C=CCOCCCC(=O)N1CCC2(CCCCC2)CC1 172991638 OUBUHQCFCNMMFA-UHFFFAOYSA-N 279.424 3.542 30 20 CHED C#CCCCNC(=O)N[C@H](C)c1cc2ccccc2s1 174793478 SFRXJCKQDLXZSE-GFCCVEGCSA-N 286.400 3.675 30 20 CHED Cc1[nH]c2ccccc2c1CCN[C@H]1CCC[C@@H](C#N)C1 185809401 JPMAXVQUMIPZPB-CABCVRRESA-N 281.403 3.691 30 20 CHED COc1ccccc1Sc1cc(C#N)ccc1[N+](=O)[O-] 302224517 USDOMENHTLDKBR-UHFFFAOYSA-N 286.312 3.626 30 20 CHED N#Cc1ccc(F)cc1COc1c(F)c(F)cc(F)c1F 177758621 POHJOEDBSPSWGY-UHFFFAOYSA-N 299.198 3.833 30 20 CHED N#Cc1ccc(OCCCOc2cccc(F)c2F)cc1 62614960 NWZIFWGSUXHDJE-UHFFFAOYSA-N 289.281 3.684 30 20 CHED N#Cc1cc(F)ccc1N1CCc2c(F)cc(F)cc2C1 301733136 YSSYBXYNDCTWBU-UHFFFAOYSA-N 288.272 3.538 30 20 CHED C=C(Br)CN(CC)CCc1cccs1 746660583 YANIYVDKLYPLJX-UHFFFAOYSA-N 274.227 3.521 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccc(OCC)cc1 177871442 PJVBUNZEENFQLA-GFCCVEGCSA-N 279.405 3.722 30 20 CHED Cc1cccc(C)c1OCC(=O)Nc1cccc(C#N)c1C 178388406 BZKNOKGSFIGPGH-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cc2c(s1)CCCC2 321447723 NNSVGUDQDXMOLB-JSGCOSHPSA-N 279.449 3.605 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1cc2c(s1)CCCC2 321447725 NNSVGUDQDXMOLB-OCCSQVGLSA-N 279.449 3.605 30 20 CHED CCN(c1ccc(Cl)c(C#N)n1)C1CCCCC1 301522019 HGBCUANZSZERTO-UHFFFAOYSA-N 263.772 3.766 30 20 CHED CC(C)c1nc(N[C@@H](C)CC#N)cc(C(C)(C)C)n1 302883094 JFOSCDFEUKYNKP-NSHDSACASA-N 260.385 3.612 30 20 CHED Cc1sc2ncnc(NCc3cccc(C#N)c3)c2c1C 37502163 QLLLMNQUECZZCV-UHFFFAOYSA-N 294.383 3.792 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)c1ccccc1 125853468 FQSKJLPGDVCYMY-OAHLLOKOSA-N 259.393 3.995 30 20 CHED C=CCC(CC=C)C(=O)N(C)CC1(c2ccccc2)CC1 189222987 RRWXYHSSTJRXFL-UHFFFAOYSA-N 283.415 3.945 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)c(C)c2)c(C)o1 488286774 BJIFMYGDQCQELP-ZDUSSCGKSA-N 268.360 3.927 30 20 CHED C=C(CC)CN1CCC(F)(c2cccc(OC)c2)CC1 500134410 AFAWKHLKQGJDKT-UHFFFAOYSA-N 277.383 3.922 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N 189482741 PMAYGJBIQUPHMR-HOTGVXAUSA-N 292.423 3.851 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(-c2cccs2)o1 410835186 MVBPIEDZOBWUPB-LLVKDONJSA-N 288.372 3.772 30 20 CHED CC1(C)CN(c2ccc(Cl)cc2C#N)CCS1 122039001 MIZVNNLBEBNMSU-UHFFFAOYSA-N 266.797 3.543 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCC(C)C 126026709 ULOAOMRISYXBLO-CQSZACIVSA-N 296.370 3.804 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1OC 211708812 NVHREDMOHAKXDF-ALCCZGGFSA-N 288.368 3.970 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccccc2O[C@H](C)C#N)c1 182027671 PGXCQNMMQGKWDV-GFCCVEGCSA-N 298.317 3.677 30 20 CHED CC[C@@H](C#N)Nc1ccccc1SC[C@@H](C)C#N 122236704 WPNSHCSPQKRUID-RYUDHWBXSA-N 259.378 3.652 30 20 CHED C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc21 76337706 IMBZRRMSCYTKMV-CQSZACIVSA-N 290.366 3.641 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 120180406 VFDBWFCZXOAUPE-AWEZNQCLSA-N 291.822 3.923 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)[C@@H]1C[C@H]1c1cccs1 417331216 LZJCVTFVRYTVSQ-RRQGHBQHSA-N 296.439 3.944 30 20 CHED CC[C@@H](C)CN(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419656214 ZAUKTJDBPVVLLQ-CXAGYDPISA-N 299.418 3.623 30 20 CHED N#CC1(CSCc2cc(F)cc(F)c2)CCC1 419468501 XAQPPIWQGPENQJ-UHFFFAOYSA-N 253.317 3.892 30 20 CHED O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCCC1 76097505 UKWHJWMPJACQEK-UHFFFAOYSA-N 290.366 3.714 30 20 CHED N#Cc1cccc(N[C@H]2CCSc3ccccc32)n1 339218392 HIQFOQRWGJYODJ-ZDUSSCGKSA-N 267.357 3.602 30 20 CHED C=CCC[C@H](Nc1cc(OC)c(OC)c(OC)c1)C1CC1 182702187 JOIRCFDRXOGOJO-AWEZNQCLSA-N 291.391 3.869 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@H](OC)C12CCC2)c1ccco1 414197359 VQIYJFUSPNZOAE-IMJJTQAJSA-N 275.392 3.834 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1[C@H](C)C1(F)F 410346170 ULUZYUUWUPVDCM-GWCFXTLKSA-N 265.303 3.645 30 20 CHED C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)CCS1 192185005 ZAKYHFWVQZHBAF-ZDUSSCGKSA-N 279.836 3.519 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2ccc(C3CCC3)cn2)CCC1=O 329444107 KQQDEUNHOHAVEF-WCQYABFASA-N 286.375 3.942 30 20 CHED CC(C)N(CCC(C)(C)C#N)Cc1cccs1 87595325 YKALDTZIVRCXGS-UHFFFAOYSA-N 250.411 3.898 30 20 CHED CC(C)(C#N)CCCN1CCS[C@@H]2CCCC[C@H]21 246066761 BUBJUSSMUZRYLX-ZIAGYGMSSA-N 266.454 3.676 30 20 CHED C[C@@H](CCc1cccc(F)c1)NCc1ccc(C#N)s1 516393242 NVRBDDCYILVVJJ-LBPRGKRZSA-N 288.391 3.870 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@H]2c2ccccc2)c1 47705357 PYEKAKWQTAVUHN-INIZCTEOSA-N 277.327 3.537 30 20 CHED CC(C)c1csc(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)n1 328910556 FSWOXJXNEKXIPO-NXEZZACHSA-N 280.393 3.860 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)NCC#Cc2cccc(F)c2)C1 513213403 FDQXMLRNRDOSIU-GOEBONIOSA-N 287.378 3.510 30 20 CHED CC(C)(C#N)CNC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 425729728 XABQPLLYWREQSM-OAHLLOKOSA-N 299.418 3.719 30 20 CHED C#CCN(C)C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 191052084 FABGIIAFYVQSOB-UHFFFAOYSA-N 299.320 3.645 30 20 CHED CC(C)C[C@H](Nc1cncc(C#N)n1)c1ccccc1 420593156 WZUAIWBHSGDJPA-HNNXBMFYSA-N 266.348 3.548 30 20 CHED CC(C)[C@H]1C[C@H](N/C(O)=N/[C@H](C)CCC(C)(C)C)CCO1 330627312 JZOCWRJSADIXPK-RBSFLKMASA-N 298.471 3.908 30 20 CHED N#CC1(C(=O)Nc2cccc(CC(F)(F)F)c2)CCCC1 81254892 UUQNPTCPGLMBKT-UHFFFAOYSA-N 296.292 3.814 30 20 CHED N#C[C@H]1CC[C@@H](NC2CC(c3cccc(Cl)c3)C2)C1 335247393 CWMWLSDTLMCZCL-MPMKUSMGSA-N 274.795 3.868 30 20 CHED Cc1cc(NCc2ccc(C#N)c(F)c2)ccc1CN(C)C 421386909 SGJHTXMLJBKAJP-UHFFFAOYSA-N 297.377 3.680 30 20 CHED N#Cc1nc(Sc2ccncc2)ccc1C(F)(F)F 335834389 NZHIJLUQAPUZGZ-UHFFFAOYSA-N 281.262 3.518 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCC[C@@H](C)CC1 337986254 PABLZMPJVOAUQR-DOMZBBRYSA-N 270.376 3.565 30 20 CHED CN(Cc1ccc(F)c(F)c1)Cc1ccc(C#N)c(F)c1 191934386 VOAMAWNYUGOHPY-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1C1CCCCC1 424840772 SFYWBAUATQZBHT-INIZCTEOSA-N 292.467 3.502 30 20 CHED CC(C)(C)c1ccc(C(=O)N2CCC(CC#N)CC2)s1 334174940 CMFFMDJLGFKLMX-UHFFFAOYSA-N 290.432 3.811 30 20 CHED Cc1ccc(Cl)c(NC(=O)N2CCC(CC#N)CC2)c1 334331957 PVGIJEJJHBZWKI-UHFFFAOYSA-N 291.782 3.806 30 20 CHED CCc1ccc(N/C(O)=N/CC[C@@H]2CCCCO2)cc1C 330780453 NRPMURJCSQCOHZ-INIZCTEOSA-N 290.407 3.843 30 20 CHED C[C@@H]1CC[C@H](N(C)CC#Cc2cccc(Cl)c2)C1 429563640 BTISZNQIUGCOJW-CJNGLKHVSA-N 261.796 3.812 30 20 CHED C[C@H](CN(C)Cc1cc(C#N)cs1)c1ccccc1 93009081 JKQFUIMFZSWHAC-CYBMUJFWSA-N 270.401 3.855 30 20 CHED C=CCn1c(C)nnc1N1CC[C@H](C)C2(CCCCC2)C1 337808488 JNRXMMNGUDKSLS-AWEZNQCLSA-N 288.439 3.569 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@H]1C(C)C)c1ccccc1 428015563 FACCEFOKXFHBRL-SJORKVTESA-N 271.404 3.993 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2F)[C@@H]1c1cccs1 335153620 CNKDYXAXIGEODE-CYBMUJFWSA-N 287.363 3.741 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(C(F)(F)F)ccc1F 93090908 CFWGGINJMKRUDK-VIFPVBQESA-N 274.261 3.578 30 20 CHED N#CCCCCNCc1ccccc1OC1CCCC1 237816378 YHMSZWPNTDBWFG-UHFFFAOYSA-N 272.392 3.791 30 20 CHED COc1cc(CN2CCC(CCC#N)CC2)ccc1Cl 518179337 XBXNPSUIVSPYQD-UHFFFAOYSA-N 292.810 3.864 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N(C)c2ccccc2C#N)CC1 511353734 PUTRJSLZVAPENW-SHTZXODSSA-N 284.403 3.983 30 20 CHED C=CC[C@@H]1N(C(=O)C2CC(F)(F)C2)CCCC1(C)C 336523747 DEPJMAIRSLENMO-LBPRGKRZSA-N 271.351 3.625 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc2cnccc12 432336967 PNGIATMKKFISMP-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C[C@H]1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)CC1 331053524 JNXJIKLNQKIXOK-XIRDDKMYSA-N 284.403 3.769 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N(Cc1cccs1)C1CC1 96523239 YQULQUFWWQLNCH-UHFFFAOYSA-N 299.355 3.697 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1F 334676176 TUKQTPCZQATVGQ-SFHVURJKSA-N 296.345 3.570 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1 335482149 ZQTLUPPXSOHOFU-ORAYPTAESA-N 291.398 3.869 30 20 CHED C=CC[C@@H](C)NS(=O)(=O)c1ccc(CCC(C)C)cc1 523882693 UZSPDZFSQZTANE-CQSZACIVSA-N 295.448 3.518 30 20 CHED CCCCC1CCC(CNC(=O)C2(C#N)CCC2)CC1 524058410 ITITYXFKPYXAFH-UHFFFAOYSA-N 276.424 3.793 30 20 CHED Cc1ccc(NC(=O)[C@H](C)C#N)cc1OCCC(C)C 523560286 OJESVLCTBWNNAS-CYBMUJFWSA-N 274.364 3.518 30 20 CHED Cc1cc(C)c(CN=c2ccc(Cl)c(C#N)[nH]2)c(C)c1 524620436 VUEHWMKNSYHYOG-UHFFFAOYSA-N 285.778 3.566 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC(F)(F)C[C@H]1C 528949279 SUOPCDHNIJXVQB-LLVKDONJSA-N 293.317 3.518 30 20 CHED N#Cc1ccnc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 343044274 HGQHTBYRJTZNAQ-UONOGXRCSA-N 269.735 3.575 30 20 CHED C[C@H]1CCC[C@H](OCCCCCC(=O)NCCCC#N)C1 342621305 ARFXZBUCKANSKL-HOTGVXAUSA-N 294.439 3.562 30 20 CHED N#Cc1csc(CN[C@H]2C[C@H](c3ccccc3)C2)c1 435784118 AFUAFSBNXYVZLR-SHTZXODSSA-N 268.385 3.656 30 20 CHED C[C@@H](CCC#N)CN(C)[C@@H](C)c1cc(F)ccc1F 602437491 AHHLNHHFBCNTJI-RYUDHWBXSA-N 266.335 3.897 30 20 CHED N#CCC1(CN[C@H]2CCCC[C@@H]2c2ccccc2)CC1 430742530 MHLUHDTXUFERDD-SJORKVTESA-N 268.404 3.996 30 20 CHED C[C@H](CCC#N)CN1CCS[C@@H](c2ccccc2)C1 602472233 QAXHCBZRUHQITF-GDBMZVCRSA-N 274.433 3.716 30 20 CHED N#CCCCN[C@@H]1CCc2c(Cl)cc(Cl)cc21 342726774 IXGFXWZJJNBZFV-CYBMUJFWSA-N 269.175 3.874 30 20 CHED CCCCCCCNC(=O)c1ccc(C)c(NC(C)=O)c1 253575825 VBTHYWQWQXSNRJ-UHFFFAOYSA-N 290.407 3.654 30 20 CHED C=CCN(CCC#N)Cc1ccc(OCCCC)cc1 430111469 RFJFOBURIKZJIZ-UHFFFAOYSA-N 272.392 3.767 30 20 CHED C=CCOCCCC(=O)N1CCCC(C)(C)[C@@H]1CC=C 347478591 FKFFLCGKIHVBIB-HNNXBMFYSA-N 279.424 3.563 30 20 CHED O=[N+]([O-])c1cccc(C=NNc2ccc3ccccc3n2)c1 254846165 KMZUXMDECSSILM-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(-c2ccccn2)no1 346392941 RPEQJMWDJFRTTB-UHFFFAOYSA-N 299.374 3.555 30 20 CHED CC(C)N(C)C(=O)[C@@H](C)Sc1ccc(Cl)cc1C#N 601910888 BXOSNOWTZZABKU-SNVBAGLBSA-N 296.823 3.559 30 20 CHED C=CC[C@@H]1N(Cc2cnccc2OC)CCCC1(C)C 347127230 UOELUQOJDMHUNA-INIZCTEOSA-N 274.408 3.657 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1c1nc([C@@H]2CCc3ccccc32)no1 346520544 AYYWDTZIXFGHTK-OAGGEKHMSA-N 296.370 3.596 30 20 CHED CC1(CNc2ccc(C#N)cc2C(F)(F)F)CCOCC1 346696599 SDIAKKZQYJSWIQ-UHFFFAOYSA-N 298.308 3.806 30 20 CHED Cc1ccccc1C1(CNc2snc(C)c2C#N)CC1 342115851 NTQBFNWTYBRZML-UHFFFAOYSA-N 283.400 3.775 30 20 CHED C=C(C)COC(=O)/C=C\c1cnc(C(C)(C)C)s1 255376275 YYQUEATXKOOQNL-SREVYHEPSA-N 265.378 3.573 30 20 CHED Cc1cc(CN(C2CCCC2)C2CC2)ccc1C#N 521149967 UITMYNXENHZVDF-UHFFFAOYSA-N 254.377 3.774 30 20 CHED C=CCCCSCCOc1cccc([N+](=O)[O-])c1 609803989 SHGGMVPHAOEQFP-UHFFFAOYSA-N 267.350 3.673 30 20 CHED COc1ccc2oc(/C=C\C(=O)c3ccco3)cc2c1 255607615 HYKSJUTUXODEQD-XQRVVYSFSA-N 268.268 3.931 30 20 CHED N#Cc1ncccc1N[C@@H]1CCc2c(Cl)cccc21 357187573 LXFMSNBWGLJXSP-CYBMUJFWSA-N 269.735 3.706 30 20 CHED CCOC(=O)CCCCCSc1ccc(C#N)cc1 609782813 XBCCZAKAWUCHQX-UHFFFAOYSA-N 277.389 3.774 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@H](C)c1cccc(O)c1 602446687 HSLJRCNZZXOQCZ-UONOGXRCSA-N 260.381 3.715 30 20 CHED C=CCC[C@H](NCC1Cc2ccccc2C1)C1CC1 537968748 VHZQGYGXLVVRKO-SFHVURJKSA-N 255.405 3.736 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 443107292 YJYJIVUKZFGIMT-CKEIUWERSA-N 299.418 3.887 30 20 CHED N#CCc1ccccc1Cc1nc(-c2ccc(Cl)o2)no1 350914871 KUHUBTKWEALEGH-UHFFFAOYSA-N 299.717 3.640 30 20 CHED CC(C)N(CCC#N)Cc1cnc(C2CCC2)s1 534337903 CGZXOTQKGGRRAJ-UHFFFAOYSA-N 263.410 3.535 30 20 CHED C=CCC[C@@H](NCc1cc(C)no1)c1ccccc1 269453407 WGHMLNKLPLYDAH-MRXNPFEDSA-N 256.349 3.780 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C2(C#N)CC(C)C2)C1 531821788 VXDKCZIKWPWBMS-QHZMEWJKSA-N 296.414 3.639 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 354706598 LSZALZVBUUXOOP-LBPRGKRZSA-N 288.347 3.518 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)C[C@@H](C)c1ccc(F)cc1 536080048 KUXXZQIFEILIHQ-DYVFJYSZSA-N 290.382 3.764 30 20 CHED CCCc1noc(CO/N=C/c2ccc(C(C)C)cc2)n1 266289807 LQOCEVCSELDRNG-LICLKQGHSA-N 287.363 3.696 30 20 CHED CCCCCCCc1nc(Cc2ccccn2)no1 264640030 VGXILOATLZSMOM-UHFFFAOYSA-N 259.353 3.568 30 20 CHED Cc1ccc(CCCN2CCC[C@](C)(C#N)C2)cc1 612162583 IOUZGZFTRSTVNP-QGZVFWFLSA-N 256.393 3.553 30 20 CHED CN(Cc1ccsc1)C(=O)C[C@@H](CC#N)c1ccccc1 619424696 QUBZJKYMXHYRPK-MRXNPFEDSA-N 298.411 3.794 30 20 CHED C=CC(C)(C)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 449484804 JGEAXLXIYAERBX-UKTHLTGXSA-N 274.364 3.800 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1cc(Cl)c(C)c(Cl)c1 615007738 FDWFBYNRQZSBNN-ZDUSSCGKSA-N 288.174 3.567 30 20 CHED COC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCCCC1 359972782 XUZLGIZZJQWSHP-GOSISDBHSA-N 298.430 3.875 30 20 CHED C=C1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)CC1 539942594 PTNCMLNNLHHAGY-UHFFFAOYSA-N 289.806 3.841 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1ccc(C#N)cc1 611298760 XSMKIPKGBWGOMF-PXAZEXFGSA-N 284.334 3.885 30 20 CHED CCc1noc(CSCc2ccc(C#N)cc2Cl)n1 615161692 HGFXJRZGNWTZDW-UHFFFAOYSA-N 293.779 3.590 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C/c1ccsc1 264251447 KWPSTAZSJDYWPI-AATRIKPKSA-N 276.405 3.550 30 20 CHED C=CCCS[C@H]1CCN(c2ccc(Cl)cc2)C1=O 610088839 DIWKQFCYGXPPCR-ZDUSSCGKSA-N 281.808 3.755 30 20 CHED C=CCN(C(=O)Nc1ccccc1OCC1CC1)C1CC1 537908071 XSAUMZYMXKLRTC-UHFFFAOYSA-N 286.375 3.658 30 20 CHED CC1(C)CCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 619754483 AQONKYCRVDPMAQ-AWEZNQCLSA-N 262.784 3.880 30 20 CHED C=CC[C@@H](CO)CNC(=O)[C@@H](CCC)CC1CCCCC1 539322975 ROJSTWCOQJYSHE-SJORKVTESA-N 295.467 3.674 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cccc2ccsc12 613400116 DGRAVKLJIHFVKG-GFCCVEGCSA-N 272.373 3.569 30 20 CHED CCC1(CC)CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 532285989 LCGGTJBLKXTVOK-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=CCN(C(=O)COc1ccccc1[C@H](C)CC)C1CC1 537931588 YYUQUCBVVSKAKE-CQSZACIVSA-N 287.403 3.756 30 20 CHED CC[C@@H](CNCc1cccc(C#N)c1)Oc1ccccc1C 531206062 DXAGXTVTHIUBKH-SFHVURJKSA-N 294.398 3.814 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCCc4cccnc43)CC2)c1 619611497 LQIKLBMYEDZYAY-KRWDZBQOSA-N 289.382 3.610 30 20 CHED C=CCOc1cccc(CNC[C@H]2CCOC(C)(C)C2)c1 453579292 JOXJXXRGAPTUDH-INIZCTEOSA-N 289.419 3.546 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1OCCC 454266104 IGQKVBXIDRHZKJ-UHFFFAOYSA-N 262.353 3.563 30 20 CHED C=CC[C@H]1N(C(=O)c2c[nH]c3nccc-3c2)CCCC1(C)C 451433190 MPCXRCIOPAHTCL-OAHLLOKOSA-N 297.402 3.721 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC23CCC3)cc1Cl 619755737 QVMZCGRSGOXXFY-CQSZACIVSA-N 260.768 3.634 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC[C@H](F)C2)CCCCC1 451761893 IDAYCEOXKXGHPP-QWHCGFSZSA-N 253.361 3.520 30 20 CHED C=CCC1(CNC(=O)CCc2ccc(O)cc2)CCCC1 456481113 ALXRGDMGACGZLP-UHFFFAOYSA-N 287.403 3.578 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccc(OC)cc1)C(C)C 276463916 WGBWTOJXLACSFB-INIZCTEOSA-N 290.407 3.610 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@]2(C1)OCc1ccccc12 365467675 VJOQOHIKROZDNC-IBGZPJMESA-N 298.430 3.838 30 20 CHED C=CC[C@@H]1N(C(=O)CCc2ccncc2)CCCC1(C)C 277847710 CIHFKNZQAAHAOH-INIZCTEOSA-N 286.419 3.608 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)CC(C)(F)F 276954077 CWQBSVQPNJZHMJ-JTQLQIEISA-N 298.358 3.922 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 459282456 BHMCGXOVNBVKHV-FGTMMUONSA-N 298.430 3.615 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OC)c(SC)c1 459710132 JMPOGMAZEQRQOT-UHFFFAOYSA-N 280.393 3.505 30 20 CHED CCC1(CC)CN(c2ncc(Cl)c(C)c2C#N)C1 549577807 IKYDPXDQPWMXKL-UHFFFAOYSA-N 263.772 3.542 30 20 CHED C=CCC(C)(C)c1noc([C@H](OCC)C(C)C)n1 624633540 JCFPWJFZXVHQDF-LLVKDONJSA-N 252.358 3.657 30 20 CHED C=CCN(C(=O)CSc1ccc(F)c(F)c1)C(C)(C)C 622943360 ZVUZWSOWWJXVHB-UHFFFAOYSA-N 299.386 3.870 30 20 CHED C=CC(C)(C)CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 628316285 PTQPVDFOJWDAFW-KGLIPLIRSA-N 293.357 3.787 30 20 CHED C=CCCCCNC(=O)Nc1ccc2[nH]ccc2c1 274570670 HHESMJOZPMQAKL-UHFFFAOYSA-N 257.337 3.646 30 20 CHED Cc1cc(Cl)c(C(=O)N[C@H](C#N)C(C)(C)C)cc1C 272935435 IWNZJHNYIKACCD-CYBMUJFWSA-N 278.783 3.625 30 20 CHED C[C@H](C(=O)NCCC1=CCCCC1)c1cccc(C#N)c1 461743158 RUQCPWPTJQMRGR-AWEZNQCLSA-N 282.387 3.668 30 20 CHED CC1CCC(CN2CCC(C#N)(c3ccccn3)CC2)CC1 548791767 LTGBNDGXNLPAGR-UHFFFAOYSA-N 297.446 3.765 30 20 CHED C=CCCN(C)C(=O)c1ccc(OCCCCC)cc1 466629884 DQFOEVPBMGXFQL-UHFFFAOYSA-N 275.392 3.904 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@H]1CCCC[C@H]1CN(CC)CC 466426690 RWFGOVQUBGIFGO-ULQDDVLXSA-N 294.483 3.606 30 20 CHED CC[C@H](NCc1cccs1)c1ccc(C#N)cc1 278240430 LIHKNSHRQGXHHT-HNNXBMFYSA-N 256.374 3.861 30 20 CHED C[C@@H]1CCc2sc(C(=O)N[C@@H](C#N)C(C)(C)C)cc2C1 464713286 SJRHMJUUZQWRIW-YGRLFVJLSA-N 290.432 3.541 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2cccc(OC)c2)CCC1 620351670 UUXCIWOKVBFQIG-UHFFFAOYSA-N 299.414 3.959 30 20 CHED C=CCN1CCC(N[C@H](C)Cc2cccc(Cl)c2)CC1 282626282 JXPXFLMXMQGITN-CQSZACIVSA-N 292.854 3.511 30 20 CHED Cc1ccc(N(C)[C@H]2CCCN(CCCCC#N)C2)cc1 372352477 YRPWQWGRVXFIKQ-SFHVURJKSA-N 285.435 3.590 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C)c(Cl)c1F 469230527 OLAGRGGHUVKXAN-NSHDSACASA-N 281.758 3.968 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccc(Cl)s1 281430129 RMIYRFAIPIPLNB-SNVBAGLBSA-N 286.828 3.898 30 20 CHED CCC(CC)[C@H](NC(=O)[C@H](C)C#N)c1cccs1 467951206 BLKWSRHYICSAJS-MFKMUULPSA-N 264.394 3.501 30 20 CHED Cc1ccc(Cl)cc1CN=c1ccc(Cl)c(C#N)[nH]1 466446241 OTKRXAMJKONHPF-UHFFFAOYSA-N 292.169 3.603 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCN2CCC[C@@H]2C1 377426648 OOZKPQGRZHVMHU-DLBZAZTESA-N 294.483 3.870 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCCCC12CCCC2 464538619 PMUOYVVXVQEJFY-HNNXBMFYSA-N 276.424 3.873 30 20 CHED CCC(CC)CN(CC)C(=O)[C@H](C)c1cccc(C#N)c1 461906504 BDVKXRMHLFGXHQ-CQSZACIVSA-N 286.419 3.946 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC(OCCC(C)C)CC1 466320772 OZVHBZQAQSYGKC-OAHLLOKOSA-N 296.455 3.578 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(/C=C/C)cc1 554790397 GQWMAZXKIIXVNJ-QQOXCAACSA-N 273.376 3.887 30 20 CHED CC[C@H](CC(F)(F)F)NC(=O)[C@H](C)c1cccc(C#N)c1 462482315 FUOQONMJQJNWFM-ZWNOBZJWSA-N 298.308 3.509 30 20 CHED C=CCC[C@H](NC[C@H]1CCN(CCC)C1)c1ccco1 286275066 VNJBNIOESXGBKZ-CVEARBPZSA-N 276.424 3.608 30 20 CHED Cc1ccc(NC(=O)CSCC2(C#N)CCC2)c(C)c1 557268143 GKLVWELLCORZTA-UHFFFAOYSA-N 288.416 3.669 30 20 CHED C=CCCCCNC(=O)c1cc2c(s1)CCCC2 471680673 VOHIPTDJQCZDKG-UHFFFAOYSA-N 263.406 3.713 30 20 CHED CC#CCCCC(=O)Nc1nc2cc(F)c(C)cc2s1 478089572 NNNXKYSGPBCVBD-UHFFFAOYSA-N 290.363 3.876 30 20 CHED CC(C)n1cc(C=NNc2ccc(C(C)(C)C)cc2)nn1 807983183 YSIVPMMSQSHHNS-UHFFFAOYSA-N 285.395 3.603 30 20 CHED CSC1(C=NNc2nc(C(F)(F)F)cs2)CCC1 800814551 XDLZHAZNQHNEEI-UHFFFAOYSA-N 295.355 3.845 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc(OC3CCCC3)cc2)C1 556605711 FQAVAFOXXFFEQH-HOTGVXAUSA-N 284.403 3.790 30 20 CHED C#Cc1ccc(CNCc2ccccc2COCCC)cc1 809607279 VLZJJJHCYISLBK-UHFFFAOYSA-N 293.410 3.884 30 20 CHED CCc1noc(C)c1C(=O)Oc1cc(C)c(C#N)c(C)c1C 809034694 NHWBPOKFAYPUIY-UHFFFAOYSA-N 298.342 3.562 30 20 CHED C=CCCCC(=O)OCc1cnc2c(F)cccc2c1 806087252 KSRFCCTYFDDWMV-UHFFFAOYSA-N 273.307 3.773 30 20 CHED CC(C)(C#N)CC(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 295829322 UTBYXKLGWACFAK-HZPDHXFCSA-N 284.403 3.626 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C1CC2(CCC2)C1 807990935 OXMBDOGOWHDOKZ-UHFFFAOYSA-N 259.309 3.635 30 20 CHED C=CCOCCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 470762006 NWVDKTSMTUCZRF-DOTOQJQBSA-N 291.460 3.758 30 20 CHED CC(C)c1ccc(NC(S)=NN=Cc2ccccn2)cc1 299810742 YXUXXBRXOSFJOA-UHFFFAOYSA-N 298.415 3.937 30 20 CHED C#Cc1ccc(CNc2cnn(CCCC)c2C)cc1 809630808 JGYDQIGAXAXFCR-UHFFFAOYSA-N 267.376 3.585 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cc(F)cc(F)c1O 806178326 RZXVGYVWXIWGPZ-SNVBAGLBSA-N 282.334 3.651 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 475397142 QKIKSVJPDUVJFE-GDBMZVCRSA-N 290.382 3.679 30 20 CHED CC(C)C1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 476104551 ASHWBNMIKCUPQF-GOSISDBHSA-N 298.430 3.969 30 20 CHED C=CCCCCNC(=O)[C@H]1CCOc2ccc(Cl)cc21 471668574 REWFRWYVHUJSQS-ZDUSSCGKSA-N 293.794 3.679 30 20 CHED Cc1ccc2[nH]c([C@H]3CCCN3CCC(C)(C)C#N)nc2c1 295939891 KZRIVDKDOVTOED-MRXNPFEDSA-N 296.418 3.948 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1cccc(C2CC2)c1 295419303 CNNBVIPORMEPQQ-CQSZACIVSA-N 269.388 3.935 30 20 CHED C=CCCCCNC(=O)Cc1ccc(SCC)cc1 471712260 CLACSGGOAOLISO-UHFFFAOYSA-N 277.433 3.814 30 20 CHED N#Cc1cccc(N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1 561357515 FCOFUKJHWZRIKW-RCCFBDPRSA-N 289.382 3.726 30 20 CHED C=CCC1(C(=O)Nc2cccc3ocnc23)CCCC1 566606781 RHMLXWVVATUFAM-UHFFFAOYSA-N 270.332 3.903 30 20 CHED C=C(CNC(=O)CCNc1ccccc1C)c1ccccc1 488892878 QUIPHSIVILWAPD-UHFFFAOYSA-N 294.398 3.627 30 20 CHED CCN(C)c1ccc(C(C)=NN[C@H](C)c2ccncc2)cc1 819816901 RPNQHOBJPSKEDW-OAHLLOKOSA-N 296.418 3.613 30 20 CHED COc1cc(C=NOC/C=C\Cl)ccc1SC 811669060 BIWZOUMNQDUTRB-NNKWFWPSSA-N 271.769 3.520 30 20 CHED C#CCON=C(Cc1ccc(F)cc1Cl)c1ccoc1 814936426 RIKHVRYTAAWBJI-UHFFFAOYSA-N 291.709 3.669 30 20 CHED C=C(C)CN(C)C(=O)CCC(=O)c1ccc(CCC)cc1 482289983 WWZJYJIPPHTGDQ-UHFFFAOYSA-N 287.403 3.637 30 20 CHED C=CCn1cccc1C(=O)Nc1nc2ccc(C)cc2s1 488582286 WPMPDKLSVYQZFZ-UHFFFAOYSA-N 297.383 3.845 30 20 CHED C[C@@H]1SCCC1=NNc1cccc2cnccc12 814836127 JFYRNUDUIKFKOI-JTQLQIEISA-N 257.362 3.528 30 20 CHED Cc1ccc(-c2ncco2)cc1NC[C@H](C#N)CCC#N 576392776 FRLQINXYNCDOGG-ZDUSSCGKSA-N 280.331 3.505 30 20 CHED C=CCCCCC[C@@H](C)NCc1nnc(CC)s1 810261873 ZBCBAQPTHWKXQK-GFCCVEGCSA-N 267.442 3.715 30 20 CHED C=CCn1c(SCC2CC=CC2)nnc1-c1ccco1 657240212 IMPDBXBCKJTSAC-UHFFFAOYSA-N 287.388 3.782 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@@H]1CC[C@H](C#N)C1 819632087 OPYXYGOQTUOKST-QLFBSQMISA-N 264.413 3.791 30 20 CHED N#CCCC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 571524006 YLYXZQIEVIKAQK-UHFFFAOYSA-N 294.402 3.592 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc(F)cc1 811685017 HAUQAFXADQAWBC-RMKNXTFCSA-N 269.250 3.733 30 20 CHED C(=NN=C(c1ccccc1)c1ccccc1)[C@H]1CCOC1 812377902 VGLGPMJBXADABO-OAHLLOKOSA-N 278.355 3.546 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CC[C@H](C#N)C1 819631465 KPOXIFQRDWQTHJ-UONOGXRCSA-N 250.386 3.545 30 20 CHED CC(CSC(C)(C)C)=NNc1ccccc1[N+](=O)[O-] 729632745 IMINVJTZHRVPPY-UHFFFAOYSA-N 281.381 3.914 30 20 CHED C=CCC(C)(C)c1noc(-c2cnn3ccc(C)cc23)n1 578596589 ZLORQLXJZHFTPK-UHFFFAOYSA-N 282.347 3.546 30 20 CHED C#CC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 826710910 UAQCQVSJDAJIAU-UHFFFAOYSA-N 288.700 3.603 30 20 CHED N#Cc1ccc(NN=C2CCCC2)cc1C(F)(F)F 726426012 NOKZFGVMAJSRFC-UHFFFAOYSA-N 267.254 3.919 30 20 CHED C=CCCOC(=O)c1ccccc1SC(C)C 729888633 BGHRZMUVUSLQRF-UHFFFAOYSA-N 250.363 3.920 30 20 CHED COc1ccc(NC2CCC(C)(C#N)CC2)c(OC)c1 823490079 TXKHRRLWLCIXJV-UHFFFAOYSA-N 274.364 3.588 30 20 CHED CC(C)Cc1ccc(CCCC(=O)NCC2(C#N)CC2)cc1 570388295 FNMFGUABPUHQKW-UHFFFAOYSA-N 298.430 3.628 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1ccsc1 727257439 NNZDUOARIYYCNT-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C#CCOc1ccccc1CNC[C@@H](C)c1ccc(F)cc1 729681573 GAOGUCQVWWWQDG-OAHLLOKOSA-N 297.373 3.731 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1nc2ccccc2s1 901804042 POBBNUAPPUUBRY-NSHDSACASA-N 274.389 3.861 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 668854615 KBHWVCAOEHBYAG-UAGQMJEPSA-N 271.404 3.726 30 20 CHED COc1ccc(O)c(/C=N/CCc2cc3ccccc3o2)c1 739427564 UYJSNINBXTXHOX-XDHOZWIPSA-N 295.338 3.809 30 20 CHED CC[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730417545 OLIKGWFDOYSJEO-WCBMZHEXSA-N 276.336 3.658 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C1(C#N)CCC1 736006490 NUDOXVJZOXECSQ-KBPBESRZSA-N 276.424 3.649 30 20 CHED CC[C@@H](NCCCCCN1CCCC1)c1cccc(C#N)c1 903001208 QVJXAAABXHZNOK-LJQANCHMSA-N 299.462 3.865 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)c1ccco1 665667103 VNLWFYVSWLHDFH-GOEBONIOSA-N 283.371 3.687 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccccc1-c1cccs1 491702040 IKDDILBRZKOPIC-GFCCVEGCSA-N 284.384 3.901 30 20 CHED C=C(C)CN(C)Cc1ccc(OCCCC)c(OC)c1 497201712 WOWNHWZHFQFWKY-UHFFFAOYSA-N 277.408 3.882 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC)c(Cl)c1 580518917 IXZWXDNHRGAAEU-DFBGVHRSSA-N 295.810 3.733 30 20 CHED Cc1cccc(CC(=O)O[C@@H]2CCC[C@H](C#N)C2)c1Cl 839060928 ZYMGBSBSAFNTDI-GXTWGEPZSA-N 291.778 3.817 30 20 CHED C#CCCOc1ccc(C(=O)OCC(C)(C)CCC#N)cc1 835387127 RPARYYWNEZTHDI-UHFFFAOYSA-N 299.370 3.575 30 20 CHED C=CCCCCOC(=O)C[C@H](C)c1ccc(N)cc1 837630065 MIJYRQBDPAJYCF-ZDUSSCGKSA-N 261.365 3.662 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1c(C)cccc1Cl 835484150 FHADNIMIOUTUOX-CQSZACIVSA-N 265.740 3.632 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OC=C)cc1 839159457 MIIKETUKAYYRTR-GFCCVEGCSA-N 260.337 3.685 30 20 CHED C=CCCCCCNc1cccc(C(=O)NCCC)c1 582280971 NJUGDQILRAXZSC-UHFFFAOYSA-N 274.408 3.985 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1CC2(CCC2)C1 830625832 KOWMIWRMXFYWIQ-UHFFFAOYSA-N 263.381 3.830 30 20 CHED C#CCOc1ccccc1CNc1nc2ccccc2s1 734145654 YCTKQGRHPDSHAH-UHFFFAOYSA-N 294.379 3.920 30 20 CHED CC(CC1CCC1)=NNc1ccc(C(=O)O)c(F)c1 835010321 XHQHGGWIOLBJQY-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CC(=NNc1ccnc(N(C)C)n1)c1ccc(C(C)C)cc1 739418216 KQUITUMODPCWQO-UHFFFAOYSA-N 297.406 3.502 30 20 CHED CCN(CC)c1ccc(/C=N/[C@@H]2CC=CCC2)c(O)c1 735978849 MYKJPDBSDVGFAK-COYFKBPASA-N 272.392 3.766 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cnc3ccsc3c2)C1 839050647 CHTOMINMJIUSSO-ZYHUDNBSSA-N 286.356 3.535 30 20 CHED C=CCNC(=S)N1CCCc2cc(C(C)C)ccc21 915122016 ZGAMEYHCLNVGQC-UHFFFAOYSA-N 274.433 3.623 30 20 CHED CSCC1CCC(=NOCc2cccnc2)CC1 834966366 NKIKVRFWYRDSBL-UHFFFAOYSA-N 264.394 3.507 30 20 CHED Cc1ccc2sc(CN3CCC[C@](C)(C#N)C3)nc2c1 599361539 IVHXDFUBQUDERL-MRXNPFEDSA-N 285.416 3.730 30 20 CHED C=CCCSCCNC(=O)c1cccc(F)c1SC 597969780 GREMPUZAPDVSQR-UHFFFAOYSA-N 299.436 3.587 30 20 CHED N#Cc1ccc(OCc2cc(C3CC3)no2)c(Cl)c1 594881299 GBXGRCGSEKPHLN-UHFFFAOYSA-N 274.707 3.656 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)[C@@H](C#N)c1nc(C)cs1 835035702 HWGMVEWEGMGAKE-DTWKUNHWSA-N 290.310 3.606 30 20 CHED c1ccc(CCCC(=Nn2cnnc2)c2ccccc2)cc1 839382619 WNRLEHFGJXYCTN-UHFFFAOYSA-N 290.370 3.553 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCCC[C@H]1c1ccccc1 593412796 SECWZBIOWRTLBV-HOCLYGCPSA-N 270.376 3.680 30 20 CHED C=CCNC(=S)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 840862408 GDCRLLPAFXHEFA-CVEARBPZSA-N 288.460 3.705 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccccc1C 742262962 MBPXZGZLOBCIJD-UHFFFAOYSA-N 269.319 3.758 30 20 CHED C[C@@H](CCc1ccccc1)OC(=O)c1ccccc1CC#N 919035073 VZSHFAGVBPCZGA-HNNXBMFYSA-N 293.366 3.931 30 20 CHED CCCOc1ccc(CN(CC)C[C@@H](C)C#N)c(C)c1 596990550 FAKVPDSKCXVVDX-AWEZNQCLSA-N 274.408 3.765 30 20 CHED C=CCOc1ccc(-c2nc(C(C)(C)C)no2)cc1 598612339 NDQTXOSIZBUJQO-UHFFFAOYSA-N 258.321 3.599 30 20 CHED CC(C)(CCC#N)CN1CCC[C@@H]([C@@H]2CCCCO2)C1 597225632 RSUWKYSISXLIRD-CVEARBPZSA-N 278.440 3.597 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1ccc(Cl)cc1Cl 674934079 RHGACPOWKOMXGQ-SECBINFHSA-N 287.190 3.709 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@H]2CCCC(C)(C)C2)n1 598854876 VVDWTYJBRPFGMS-ZDUSSCGKSA-N 285.391 3.725 30 20 CHED Cc1cc(F)cc(C(=O)OCc2ccc(F)cc2C#N)c1 745572412 REPWRCVOARURQZ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H](C)C(=O)c1cccc(F)c1 840478193 RLFGUYMRIVBMHY-ZBEGNZNMSA-N 278.323 3.542 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C 593657542 KSOKCUUCJSPHTM-YPMHNXCESA-N 298.308 3.655 30 20 CHED C=C(CC)CNc1cc(Cl)c(OC)c(OC)c1 844618805 ITUWMTMHJMVEPW-UHFFFAOYSA-N 255.745 3.735 30 20 CHED N#C[C@@H](C(=O)C=C1CCCC1)c1nc(C2CC2)cs1 842943242 UCGSLVOGTOJJNV-LBPRGKRZSA-N 272.373 3.697 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccccc1C(C)C 848640046 HCCUJPQFBLSXBX-KTKRTIGZSA-N 268.360 3.748 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)c[nH]1)c1ccc(Cl)cc1 748225207 CSXGCJOVMKJLKF-CQSZACIVSA-N 288.734 3.848 30 20 CHED C[C@H](/N=C\c1cc(Cl)ccc1O)c1ccccn1 743538176 HVPOZUTUFWSQEK-HLGUWXJESA-N 260.724 3.621 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\CCc2cc(F)ccc2C1=O 849246136 XJWMWEMZPVATLK-UKTHLTGXSA-N 296.345 3.649 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccccc1C 916268987 KMDPJSMTYUHUGE-UHFFFAOYSA-N 269.304 3.739 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)Cc2ccc(F)cc21 749004163 ACIMYOBVOLXMNP-IZZDOVSWSA-N 274.241 3.926 30 20 CHED COc1cccc2c1CN(CCCCC(C)(C)C#N)CC2 590760025 IEAQBVIKXHNWDJ-UHFFFAOYSA-N 286.419 3.773 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(SC)c(C(=O)O)c1 910947584 HVRQRIROQVORIR-HNNXBMFYSA-N 293.388 3.648 30 20 CHED C=CCOC(=O)c1ccc(Oc2ccccc2Cl)nc1 747030508 PCYSQDANXWVTQP-UHFFFAOYSA-N 289.718 3.870 30 20 CHED Cc1cc([C@@H](C)/N=C\c2ccc(O)c(O)c2O)c(C)s1 914702146 XETBZRYPGCKORH-UIKYOSCFSA-N 291.372 3.662 30 20 CHED CCOc1ccc(NCCCC(C)(C)C#N)c(F)c1 841705544 ODZQQFQBEYSWBL-UHFFFAOYSA-N 264.344 3.966 30 20 CHED C=C[C@@H](Cc1nc(C2CCC2)no1)c1ccccc1 680693479 KMPODBJJPVZMMY-LBPRGKRZSA-N 254.333 3.849 30 20 CHED Cc1cc(/C=C2\C(=O)c3ccccc3[C@@H]2C(C)C)n(C)n1 841486198 BNSABCKFCYRNGM-RNIVLKNTSA-N 280.371 3.748 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)[C@H](C#N)CCc1ccccc1 593785599 GHNZABARYCNCTO-YESZJQIVSA-N 298.430 3.700 30 20 CHED COc1ccc(NN=C(C)c2ccc(C)s2)cc1 750921323 GUAHXFSZOAGOGX-UHFFFAOYSA-N 260.362 3.901 30 20 CHED Cc1nc2ccccc2c(=O)n1N=C[C@H]1CCCC(C)(C)C1 752717367 FVOMWYWETFUFRC-AWEZNQCLSA-N 297.402 3.755 30 20 CHED CC1(C)CCCC(=NNc2ccc(C(F)(F)F)nn2)C1 754710617 VFMLTBJECDSIIW-UHFFFAOYSA-N 286.301 3.864 30 20 CHED O=C(/C=C/c1ccsc1)c1cc(F)cc(F)c1O 757472444 HOYDIUCHMOOHNK-OWOJBTEDSA-N 266.268 3.628 30 20 CHED C[C@H](c1ccccc1)N1CC[C@H](/N=C\c2ccccc2O)C1 920174989 SDGTWQSRTZUIBQ-GRZREVBKSA-N 294.398 3.647 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1nc2ccccc2n1C 751131403 VIXYLEKXLYWAPM-GFCCVEGCSA-N 290.370 3.582 30 20 CHED CCCCCCCCNC(=O)Nc1ccc(C2CC2)nn1 754997648 HEHJUYDRVUEUFO-UHFFFAOYSA-N 290.411 3.836 30 20 CHED C#CCN(C(=O)N[C@H]1CCC[C@H]1CC)C1CCCCC1 757284767 WNLRHDJBKRAWTH-ZBFHGGJFSA-N 276.424 3.543 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1cc(F)cc(F)c1 759084347 PEXLUWNTJTUSDH-OWOJBTEDSA-N 285.702 3.971 30 20 CHED Cc1c(NN=C2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] 755890640 XKEKYMSLDNRFGO-UHFFFAOYSA-N 291.351 3.649 30 20 CHED COc1ccc(O)c(C=Nc2ccc(C)c(F)c2)c1 920943342 VZLQCNFBNPKIBI-UHFFFAOYSA-N 259.280 3.599 30 20 CHED CC#CCCCCOC(=O)CC[C@@H]1CC1(Cl)Cl 850955146 KOVSDMYTCKVDCZ-LLVKDONJSA-N 277.191 3.697 30 20 CHED CCCCCCCCNC(=O)CCC(F)(F)F 754852384 BJPDGKPIVLPTLJ-UHFFFAOYSA-N 253.308 3.806 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1cccc(Cl)c1 851211055 YUXSXQFVUHNBBT-NSHDSACASA-N 279.767 3.754 30 20 CHED CC(=NNc1c(F)cccc1F)c1cc(F)cc(F)c1O 757464956 IOSFJCFVJRTVBW-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C#CCCCC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 757914491 DPFLIVMOHMQLCF-INIZCTEOSA-N 277.795 3.957 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC1SCCS1 850562809 ZTNFCZNDYHGLLP-NEPJUHHUSA-N 257.468 3.517 30 20 CHED C#CCCOC(=O)N1CCCc2c(C)ccc(Cl)c21 859182032 BWTPFVKCVIORSA-UHFFFAOYSA-N 277.751 3.561 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)cc1 756263019 UGNICOZEGVCGIC-ONNFQVAWSA-N 294.329 3.659 30 20 CHED FC(F)(F)c1ccc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)nc1 755489783 XJADDTKPZRQPTL-GARJFASQSA-N 281.281 3.710 30 20 CHED CC(C)Cc1nc(C(=O)O[C@@H](C)CC(C)(C)C#N)cs1 851210991 XMDPKOHPFBCMHF-NSHDSACASA-N 294.420 3.827 30 20 CHED O=C(/C=C/c1cccc(Cl)c1F)c1cc(O)cc(O)c1 753715188 AVQHQSXTNMEEDD-SNAWJCMRSA-N 292.693 3.786 30 20 CHED CC(CC1CCOCC1)=NNc1ccc(OC(F)F)cc1 757574634 KCFNPIMYYCDNAA-UHFFFAOYSA-N 298.333 3.893 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)C1CCOCC1 755891792 MCSWLUYMYGSMAU-UHFFFAOYSA-N 270.735 3.694 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C(C)=C(C)C 759222581 AWWDDVGOYQHMSB-UHFFFAOYSA-N 271.364 3.675 30 20 CHED C#Cc1ccc(NC(=O)N2CC3(CCC3)[C@H]2C(C)C)cc1 934930495 OQKYGURYFYZKKC-MRXNPFEDSA-N 282.387 3.710 30 20 CHED C=C(C)COC(=O)[C@H](C)CSc1ccc(F)cc1 756235310 YDXDDEDTYWAXKS-LLVKDONJSA-N 268.353 3.673 30 20 CHED CCOc1c(Cl)cc(C=NOCC(C)C)cc1OC 754276727 QYGRCLYJZCYLTD-UHFFFAOYSA-N 285.771 3.754 30 20 CHED N#C[C@H]1CC[C@H](n2cc(-c3ccc(Cl)cc3F)nn2)C1 863850890 MCCDTLNBJXHTJL-ONGXEEELSA-N 290.729 3.602 30 20 CHED C=CC[C@H]1N(C(=O)/C=C/c2cnccc2C)CCCC1(C)C 767227608 GVPMEZYXXTWYJC-KBOKABMXSA-N 298.430 3.997 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H]2C[C@H]3CC[C@H]2C3)n1 761993330 PDAUFPMRGOXIAW-KCQAQPDRSA-N 294.354 3.652 30 20 CHED N#Cc1cc(Cl)nc(NN=C[C@H]2C[C@H]2c2ccccc2)c1 768376138 RCCXMYKODYAPSL-KGLIPLIRSA-N 296.761 3.808 30 20 CHED CC#CCCOC(=O)[C@@H](CC)Sc1ccccc1 760284340 OAVCQNFXLYRXMS-CQSZACIVSA-N 262.374 3.514 30 20 CHED C=C(Cl)CSCc1ccn(C2CCCC2)n1 763219462 NSWCYQFCXSJAIB-UHFFFAOYSA-N 256.802 3.984 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1nccnc1Cl 766701105 VZXMXKQENYGICB-SNVBAGLBSA-N 286.766 3.762 30 20 CHED CCC1(CC)C(=NNc2cccc(OC)c2)C[C@H]1OC 762603434 KEPWFEICHCILMT-OAHLLOKOSA-N 276.380 3.688 30 20 CHED C=CCOCSc1nnc(NC2CCCCC2)s1 865344921 SLPOTPIYDYZCQU-UHFFFAOYSA-N 285.438 3.535 30 20 CHED CC(=NNC(=S)Nc1ccc(C)cc1)c1occc1C 767748549 HDOXWJWHINPVDO-UHFFFAOYSA-N 287.388 3.607 30 20 CHED CCN1CCC(=NNc2c(F)cccc2Cl)[C@@H](C)C1 769827376 VNCJYFGGJGFXQG-JTQLQIEISA-N 283.778 3.609 30 20 CHED N#Cc1cccc(NC(=O)CCSCC2=CCCC2)c1 1328478565 RBMUPBIGXPUXPS-UHFFFAOYSA-N 286.400 3.730 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC[C@H](C)[C@@H](C)C2)o1 767380015 OWCQPTHBHGONHE-QWRGUYRKSA-N 274.368 3.894 30 20 CHED COc1ccsc1C=NNCc1ccc(Cl)cc1 764718664 PWFYGCRBQVKWDH-UHFFFAOYSA-N 280.780 3.534 30 20 CHED C[C@H]1CC(C)(C)CC1=NNCC(F)(F)C(F)(F)F 863181373 MCLMDUIVCUMUCG-ZETCQYMHSA-N 272.261 3.586 30 20 CHED CCC1(CC)C(=NNc2ncccc2Cl)C[C@@H]1OC 762605126 UPZHMQQXAAIFOU-LBPRGKRZSA-N 281.787 3.728 30 20 CHED CCCCCCCCOCc1nnc([C@@H]2CCO[C@@H]2C)o1 1118258866 PXZQUMDUZLASOQ-ZIAGYGMSSA-N 296.411 3.839 30 20 CHED N#Cc1cccc(-c2nnc(C(F)=C3CCCC3)o2)c1 1118418924 DQCAIYNNMOZGGH-UHFFFAOYSA-N 269.279 3.863 30 20 CHED CNC(=O)c1ccc(-c2ccc(C3(C#N)CC3)cc2)cc1C 871886532 NWPAHSMCQFLQTP-UHFFFAOYSA-N 290.366 3.577 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc(F)cc1Cl 773159330 HIMXZMZYWWWDNU-AWNIVKPZSA-N 298.704 3.843 30 20 CHED CC(Cc1cccs1)=NNc1cc(Cl)ccn1 777907743 ZTDJICJOKPAQGX-UHFFFAOYSA-N 265.769 3.827 30 20 CHED C=CCSCCN[C@H](C)c1cccc(OCC)c1 772954812 OYGNBSKXHMTHKN-CYBMUJFWSA-N 265.422 3.655 30 20 CHED CCC1(C(=O)OCc2ccc(CC#N)cc2)CCCC1 776114115 VYARPYMYEHBQKX-UHFFFAOYSA-N 271.360 3.766 30 20 CHED FC(F)Oc1ccccc1C=NNc1cc(Cl)ccn1 777913594 NTANTFOEMPQOLH-UHFFFAOYSA-N 297.692 3.782 30 20 CHED C[C@H]1CCCN(c2c(Br)cccc2C#N)CC1 1458139306 HHRBKDVQLVEMPC-NSHDSACASA-N 293.208 3.947 30 20 CHED Cc1nc(/C=C2/CCc3c(Cl)cccc3C2=O)[nH]c1C 1119597461 PMMMAWNRUCOVNL-FLIBITNWSA-N 286.762 3.892 30 20 CHED C#CCOc1ccccc1NC(=O)/C=C(/C)c1ccccc1 775938836 HDWLPQITODPVDZ-PFONDFGASA-N 291.350 3.741 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C)c1ccc[nH]1)c1ccccc1 777761814 BBBZKBTZSWKBNX-HOCLYGCPSA-N 282.387 3.942 30 20 CHED C=C(CC)COC(=O)[C@@H](CC)c1ccc(OC)cc1 775944884 FBHXMLNAASMTNU-HNNXBMFYSA-N 262.349 3.698 30 20 CHED C[C@H]1CCC[C@@H](c2noc(-c3csc(C#N)c3)n2)C1 1117779542 PKNYAMDABVHBNP-VHSXEESVSA-N 273.361 3.963 30 20 CHED C#CC[C@@H](NCc1cccc(C#N)c1F)c1ccccc1 775399393 GHHQVZCICVCDBY-QGZVFWFLSA-N 278.330 3.552 30 20 CHED COc1cc(/C=C2/Cc3ccccc3C2=O)ccc1F 1116377949 SUOJBAOCUZEAMH-JYRVWZFOSA-N 268.287 3.657 30 20 CHED CCCCCCCCNC(=O)NCc1ccncc1CC 778713039 NIAOMDZHHOGQQQ-UHFFFAOYSA-N 291.439 3.804 30 20 CHED CC[C@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 776356267 DQXQLSUWPASCAD-AWEZNQCLSA-N 259.349 3.663 30 20 CHED COc1ccc(C=NOC2CCCC2)cc1Br 774604384 WMOWWMZDJKMHDS-UHFFFAOYSA-N 298.180 3.751 30 20 CHED C#C[C@H](Cc1ccccc1)OC(=O)c1cccc2cc[nH]c12 773838148 YMDKZWCIZZMTEN-MRXNPFEDSA-N 289.334 3.569 30 20 CHED CCCCCCCCCCN1CCN([C@@H]2CCOC2)CC1 773480386 CAHJRHQODQQKKC-GOSISDBHSA-N 296.499 3.534 30 20 CHED C=C(Cl)COC(=O)c1cc(C)oc1C(F)(F)F 770474675 JXNFXXUDUUCMIQ-UHFFFAOYSA-N 268.618 3.516 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H](C)c1sc(C)nc1C 1120601740 UXZVLUCGUIAPRI-NSHDSACASA-N 266.410 3.636 30 20 CHED C/C(=C\C(=O)OCCC(C)(C)C#N)c1ccc(F)cc1 776380438 ZAWSAYYFMNJHFB-ZRDIBKRKSA-N 275.323 3.712 30 20 CHED CCCCCCCCCCNC(=O)c1c[nH]c(C#N)c1 776965874 DJFKBFHJYIRZIH-UHFFFAOYSA-N 275.396 3.757 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCCC[C@@H]1SCC 779929238 LIBMADSSMVRKDY-CABCVRRESA-N 281.465 3.751 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)O[C@@H](CC#N)c1ccco1 1123371182 ZLUNIGZTQAPXAE-ONGXEEELSA-N 289.253 3.756 30 20 CHED CCN(C(=O)C#Cc1ccccc1)[C@@H](C)Cc1ccsc1 778224014 DGJQJFVSFMONIF-HNNXBMFYSA-N 297.423 3.579 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3ccccc3c2)n(C)n1 789158989 JDJJEQJURVODDV-CSKARUKUSA-N 276.339 3.778 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 1124359524 MUSJLPLCVYIJTC-MFKMUULPSA-N 276.767 3.976 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc2c(n1)CCC2 1123423907 UGGHUQTZHQMLDS-CQSZACIVSA-N 285.391 3.533 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@@H]1CCCC[C@@H]1C 1128965218 IGYSICJIIKGVNT-WFASDCNBSA-N 298.386 3.916 30 20 CHED C#CCCCCNCc1c(Cl)ccc2cccnc12 781413061 CNSWABHFWGUBEO-UHFFFAOYSA-N 272.779 3.781 30 20 CHED C=CCOc1cccc(CNC23CCC(CC2)C3)c1 784640340 IPZASNRQOCWHDU-UHFFFAOYSA-N 257.377 3.674 30 20 CHED C=C(CC)CNc1ccc([S@](=N)(=O)C(F)(F)F)cc1 882432012 LMWBRAHVPHFKSL-IBGZPJMESA-N 292.326 3.990 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)C1CCC=CCC1 1123063000 YSJFQXNNXWZVPG-HNNXBMFYSA-N 283.371 3.501 30 20 CHED C=CCCCCCN(C)C(=O)c1ccnn1[C@H](C)CC 1121133193 XTSJVJLNTYYWJS-CQSZACIVSA-N 277.412 3.673 30 20 CHED Cc1ccc(C=NNc2ccc3c(=O)[nH]ccc3c2)c(C)c1 789078331 ZZTYREIQHQMGLQ-UHFFFAOYSA-N 291.354 3.591 30 20 CHED CCCCC[C@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 786836885 KUMPPSHFMWOFOY-GUYCJALGSA-N 299.418 3.814 30 20 CHED Fc1cc(Br)ccc1C=NNC1CCCCC1 786040118 JMHBRSFFSPATOU-UHFFFAOYSA-N 299.187 3.844 30 20 CHED CCCCCCC(=O)COC(=O)/C=C\c1ccccc1C#N 784200277 PEXSGMQETUSBQA-QXMHVHEDSA-N 299.370 3.654 30 20 CHED COc1ccc(O)c(/C=N\Cc2cccc3cc[nH]c23)c1 786027500 KFBMIHSTEABAAF-WQRHYEAKSA-N 280.327 3.501 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ncc(C(C)(C)C)o1 785768002 JSPSANPEVXMWTL-OAHLLOKOSA-N 265.353 3.618 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccccc1-c1ccccc1 1130444211 WDQORMOXHOPMTQ-OAHLLOKOSA-N 278.355 3.728 30 20 CHED CSc1ccc(C(=O)OCc2ccc(C#N)c(C)c2)o1 783642950 HAZDXSYQQMDHBP-UHFFFAOYSA-N 287.340 3.539 30 20 CHED C#CCCCCCC(=O)O[C@@H](C)C(=O)c1ccc(F)cc1 780258084 HHYYXJXTSDJVKZ-ZDUSSCGKSA-N 290.334 3.524 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(F)c1 780146493 CADUSWHVEGXTSM-GFCCVEGCSA-N 298.317 3.677 30 20 CHED CC(C)(C#N)CCSCc1ccc2c(c1)COC2 790563930 LDPYWDLSVAGSQW-UHFFFAOYSA-N 261.390 3.890 30 20 CHED C[C@@H]1CC(=NNc2cccc(Cl)n2)C[C@H](C)C1 793164813 ZQSWLPPKNSQDJO-AOOOYVTPSA-N 251.761 3.959 30 20 CHED Cc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1C#N 799312239 QXFHJVDEAUWPLN-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCC[C@@H](C(=O)Nc1cc(OC)c(C#N)cc1F)C(C)C 1131492866 DBCBVUOLMKMQHB-GFCCVEGCSA-N 292.354 3.717 30 20 CHED Cc1cc(C(=O)/C=C\c2nc(Cl)cs2)oc1C 799898255 XGOLYVPCGMVJDA-ARJAWSKDSA-N 267.737 3.902 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(C)c(C#N)c1 799319451 HUWZHACLFQEVIR-GOSISDBHSA-N 290.366 3.592 30 20 CHED COc1cccc2c1CC/C(=C\c1ccsc1)C2=O 799503019 UURQZPRDPYUQKP-FMIVXFBMSA-N 270.353 3.969 30 20 CHED C[C@@H]1CC[C@H]1Nc1ccc(OC(F)(F)F)c(C#N)c1 799737915 QPCDTGGODLDYOW-LDYMZIIASA-N 270.254 3.667 30 20 CHED C=CCOCCOC(=O)C(c1ccccc1)c1ccccc1 797305296 AECXVMJJZJUAIS-UHFFFAOYSA-N 296.366 3.564 30 20 CHED CCc1cnccc1C(=O)/C=C/c1c(F)ccc(O)c1F 794945310 IAWYYPRHRYIZDC-HWKANZROSA-N 289.281 3.524 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2F)cc1C#N 799304041 QNIJKXNTIHBRTA-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 796140331 FVFPEHBBVPJEBV-VIFPVBQESA-N 275.691 3.723 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1CC(C)C 790285535 HJGJDSODXFAYBO-UHFFFAOYSA-N 259.393 3.923 30 20 CHED CC[C@@H]1CCCC1=NNc1cccc(F)c1[N+](=O)[O-] 790307340 WUQHQLDILUNAGS-SECBINFHSA-N 265.288 3.712 30 20 CHED COc1ccc(C(=O)CSc2ccc(C#N)c(C)c2)cc1 1307360560 OJCJJYHCZPBHKZ-UHFFFAOYSA-N 297.379 3.850 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)C1CCC1 1301018185 WNAOUAOOFHOJJE-SNVBAGLBSA-N 282.819 3.533 30 20 CHED CCOc1cccc(NCc2cccc(C#N)c2)c1 37780298 WDOUKIPLJCQVBN-UHFFFAOYSA-N 252.317 3.569 30 20 CHED CC[C@H](C)[C@@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 1167355894 DLSGVTDNUBQEND-LSDHHAIUSA-N 286.419 3.836 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cccc(Cl)c1F 1319117957 FWLAOVBTKINZJZ-UHFFFAOYSA-N 287.721 3.859 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H](C2CCCC2)C1 1473567695 WGCIFNULAOMYKV-OAHLLOKOSA-N 272.367 3.709 30 20 CHED Fc1ccccc1NN=Cc1ccc2c(c1)CCC2 1318766955 XCIIIHLSFVKVEW-UHFFFAOYSA-N 254.308 3.760 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(C#N)cc1OC)C(C)C 546710143 ILVDJACIRCNDRK-CYBMUJFWSA-N 274.364 3.578 30 20 CHED CCCCCCCC(=O)Nc1c(C)cnn1CC1CC1 1322266186 XQZAHZCJHPDIOC-UHFFFAOYSA-N 277.412 3.901 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2csc(C#N)c2)C1 1326516653 JTHDXWAOQOPJSS-WBMJQRKESA-N 296.395 3.843 30 20 CHED CSCCCCCN[C@H](C)c1ccc(C#N)cc1 186771842 RHBCPSUPTRLGAM-CYBMUJFWSA-N 262.422 3.742 30 20 CHED CCCCCCCN(C)[C@@H]1CCN(CC)[C@@H](C)C1 740882200 HIBAHMWRVYMRSW-JKSUJKDBSA-N 254.462 3.761 30 20 CHED C=CC1CCN(C(=O)c2ccc(Cn3cccc3)cc2)CC1 1322673709 FHINZJHPXFLBEX-UHFFFAOYSA-N 294.398 3.575 30 20 CHED CCCOc1ccc(NC(=O)[C@H](C#N)CC)cc1Cl 593414057 FQWKAYSJTFRBAQ-JTQLQIEISA-N 280.755 3.617 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(NC(C)=O)cn1 1324659649 GQZANILRDSTVAE-GFCCVEGCSA-N 261.369 3.587 30 20 CHED COc1ccc(C[C@@H](C)N(C)Cc2cccc(C#N)c2)cc1 1320975427 JZMOXVPXYGPVSE-OAHLLOKOSA-N 294.398 3.630 30 20 CHED C[C@H](Nc1ccc(CC#N)cc1)C1CCSCC1 192725954 BAZBQSCDACQRMH-LBPRGKRZSA-N 260.406 3.696 30 20 CHED CC[C@H](C)CCNc1nc(C)c(C#N)cc1Cl 710222441 MPLFMZVCEKEAGQ-VIFPVBQESA-N 251.761 3.763 30 20 CHED N#CCc1cccc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)n1 1320550247 BEPPRACZVNSQQE-FUHWJXTLSA-N 291.398 3.971 30 20 CHED Cc1cc(CN2C[C@H](C(C)C)[C@H]2C(C)C)ccc1C#N 1181753546 PYDUYGKLHQHQJW-QZTJIDSGSA-N 270.420 3.979 30 20 CHED CC[C@@H](C)N(C(=O)c1cc(C#N)ccc1F)[C@H](C)CC 1333506196 DPXZFJKVFIPAAE-VXGBXAGGSA-N 276.355 3.737 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 1254404142 RZJBKZLWWVKIIY-GOEBONIOSA-N 283.419 3.623 30 20 CHED CC[C@H](Nc1cc(C#N)cc(C)n1)c1ccc(F)cc1 1258125715 YAPAGGAZQANJLD-HNNXBMFYSA-N 269.323 3.964 30 20 CHED Cc1nc(N2CC[C@@H](C)C[C@@H](C)C2)c(Cl)cc1C#N 723827586 MMDOVSIXNYAIPC-GHMZBOCLSA-N 277.799 3.788 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccc(F)c(F)c1 695731321 STCRXWJREXISCT-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@](C)(O)C1 767132505 VWNGDVYNVXBCAR-KRWDZBQOSA-N 283.456 3.891 30 20 CHED O=C(CC#Cc1ccccc1)N1CCc2c(Cl)cccc21 1252968443 WMIYWAVQADUOJE-UHFFFAOYSA-N 295.769 3.671 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(C2CC2)cc1 1339982706 CCXZLWIGXPKKQU-UHFFFAOYSA-N 276.339 3.996 30 20 CHED CC(C)C[C@@H](C)OC(=O)C1(c2cccc(C#N)c2)CC1 1330824329 OXSKOCATZQKDKV-CYBMUJFWSA-N 271.360 3.568 30 20 CHED C#C[C@H](C)OC(=O)c1csc(-c2ccc(CC)cc2)n1 1342618342 DXMPRSYHUKYYAT-NSHDSACASA-N 285.368 3.551 30 20 CHED CC[C@](C)(C#N)C(=O)NCC1(CC(C)C)CCCC1 136276712 NGVFONDQDDIEQN-OAHLLOKOSA-N 264.413 3.649 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C2CC2)n1CC(=C)C 1342739226 SNGDPRLNFMHOMQ-OAHLLOKOSA-N 286.423 3.667 30 20 CHED CCCC[C@](C)(F)C(=O)OCC(C)(C)CCC#N 1348255047 AHLRXZKOQVUFCR-AWEZNQCLSA-N 257.349 3.778 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)C1CC(F)(F)C1)c1cccs1 1515586549 CHIBXBPGGLYICO-BXKDBHETSA-N 299.342 3.927 30 20 CHED N#Cc1cnc(NC2CCCCCC2)c(Br)c1 217254043 OPFQZUFZAAMPEN-UHFFFAOYSA-N 294.196 3.850 30 20 CHED O=C(O)c1cc(Cl)ccc1C(=O)/C=C/c1ccccc1 1602266122 OKXJEMNJHNQBJC-RMKNXTFCSA-N 286.714 3.934 30 20 CHED Cc1ccc2cc(C(=O)/C=C/c3cc(C(=O)O)co3)oc2c1 1600498627 SLGQTWYEGNREHR-SNAWJCMRSA-N 296.278 3.929 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2cc(Cl)ccc2F)c1 1608985537 GNPZQDXUPNYYED-RJRFIUFISA-N 294.665 3.666 30 20 CHED O=C(/C=C\c1ccc(C(=O)O)o1)c1ccc(Cl)cc1 1601237097 BTRMJJWAOUUTMY-ALCCZGGFSA-N 276.675 3.527 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H](C)c2ccccc2C)n1 1534294118 NBTNBGBMLGKFGI-CYBMUJFWSA-N 293.370 3.702 30 20 CHED CCOc1cc(/C=C/C(=O)c2cccs2)ccc1O 7740016 LBQGVGGYNUOJCG-SOFGYWHQSA-N 274.341 3.749 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)C(F)F)C1 1474763322 VEMKQXHRFZIDCR-KWCYVHTRSA-N 264.319 3.665 30 20 CHED N#Cc1cnnc(N2CCc3c(-c4ccccc4)cccc32)c1 1472751975 BVSSEDFTGMOFCV-UHFFFAOYSA-N 298.349 3.709 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1cc(C#N)c2ccccc2n1 1544218705 GPFVJIREBAZSHL-QGZVFWFLSA-N 299.349 3.963 30 20 CHED CN(c1ccnc(C#N)c1)[C@H]1CCC[C@@H]1C(C)(C)C 1559216069 MYGLXUUJKPKZPB-GJZGRUSLSA-N 257.381 3.604 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(CC3(CC#N)CC3)C2)cc1 1645456951 RXUQJAJEHZJFMA-NVXWUHKLSA-N 268.404 3.867 30 20 CHED N#Cc1cccc(NC[C@@H]2CCC[C@H]2c2ccccc2)n1 1642725704 VLVGEQAPBRCHSN-RDJZCZTQSA-N 277.371 3.949 30 20 CHED COc1cccc(COc2ccc(C#N)c(C)c2)c1C 1652810151 WDKYMDNFTCEWQV-UHFFFAOYSA-N 267.328 3.763 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)CCc1ccc(C#N)cc1 1654152907 XTRGYYPIYVSCNX-PBHICJAKSA-N 256.393 3.611 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C(=O)O)c2cc[nH]c2c1 1588737874 SKMJQTCTEQHJBN-UHFFFAOYSA-N 298.342 3.573 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1nc(Cl)cs1 1651168258 BBPMZSMDEMQCBV-SECBINFHSA-N 277.780 3.866 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@H](OC)[C@@H](C)CC 1663915805 CHIAYMSYCIVOQQ-YJBOKZPZSA-N 288.435 3.831 30 20 CHED C[C@@H](Sc1nc(C(=O)O)cs1)c1cccc(C#N)c1 1593678945 CMLGEUZJIMOUQR-MRVPVSSYSA-N 290.369 3.566 30 20 CHED CCc1cccc(N(C)C(=O)Nc2ccc(F)c(C#N)c2)c1 1666733622 PXDXBOPSIFDQAQ-UHFFFAOYSA-N 297.333 3.928 30 20 CHED CC[C@H]1CCCC1=NNc1ccc(F)c(C(=O)O)c1 1595435545 LCTVHMBNZXECTE-VIFPVBQESA-N 264.300 3.502 30 20 CHED Cc1ccc2cc(C=NNc3ccc(C(=O)O)cc3)[nH]c2c1 1776012671 XVTRDZUZKSBLBF-UHFFFAOYSA-N 293.326 3.621 30 20 CHED O=C(/C=C/c1csc(C(=O)O)c1)c1ccc(F)c(F)c1 1776125541 LIEKHYOTMHZQNJ-DAFODLJHSA-N 294.278 3.621 30 20 CHED CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C#N)cn1)c1ccccc1 161671665 XHYDFSIIROYYHL-CXAGYDPISA-N 293.370 3.722 30 20 CHED C=CCN(C)C(=O)CSc1ccc2ccccc2c1 161906094 MNLTUAGOCYSHPX-UHFFFAOYSA-N 271.385 3.576 30 20 CHED COc1cc(C#N)ccc1CNc1cccc(F)c1C 158205459 PWGFZZDPHSCDMV-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC1(C)CCC/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 158987848 LBAZCPKLEMNWHZ-XFXZXTDPSA-N 259.305 3.757 30 20 CHED N#Cc1cc(Br)ccc1N[C@H]1CC=CCC1 163528543 QBMVCNMLTFZZCO-LBPRGKRZSA-N 277.165 3.841 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(C)c2F)c1 153341163 WEYAZHWVWRUOFJ-UHFFFAOYSA-N 281.330 3.782 30 20 CHED C=CCNC(=O)c1cc(SC)c(Cl)cc1Cl 155564171 AAEGFNWPMHLCGH-UHFFFAOYSA-N 276.188 3.631 30 20 CHED C=CCCOCCNC(=O)[C@H](C)c1ccc2ccccc2c1 155276373 BUQGQRUJZJIQFG-OAHLLOKOSA-N 297.398 3.652 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1 154112376 BRCXVBGITLSFJE-INIZCTEOSA-N 285.391 3.795 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1SC(F)(F)F 845372457 IRWJJOXRLXJVKS-QMMMGPOBSA-N 288.294 3.787 30 20 CHED N#Cc1ccc(OC[C@@H]2CCC3(CCCCC3)O2)cc1 228019387 BRKJORAVSWRMHE-INIZCTEOSA-N 271.360 3.819 30 20 CHED Cc1ccc(C(C)C)cc1Oc1nccc(C#N)n1 231908627 VBQJMYRVYHXTPZ-UHFFFAOYSA-N 253.305 3.572 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCCCC 123416521 YYIRTHKFPMOJDK-UHFFFAOYSA-N 260.381 3.574 30 20 CHED CSc1ccc([C@H](C)NC(=O)C2(C#N)CCCC2)cc1 41881532 RAFBUBKBCNYLST-LBPRGKRZSA-N 288.416 3.670 30 20 CHED C#CCCCCNC(=O)CCSc1ccc(Cl)cc1 156489293 NISSPMFJCAOPQI-UHFFFAOYSA-N 295.835 3.742 30 20 CHED CCCCC[C@H](C)NCc1ccc(OCC#N)cc1 34991302 QJGUMHQYJSFHNC-AWEZNQCLSA-N 260.381 3.647 30 20 CHED N#CCOc1cccc(CNCCC2CCCCC2)c1 37740026 GLGOXHNZMCLREU-UHFFFAOYSA-N 272.392 3.649 30 20 CHED C[C@@H](CCCC(F)(F)F)NCc1cccc(C#N)c1 163354326 PMIMSJMNWPZHNY-NSHDSACASA-N 270.298 3.769 30 20 CHED Cc1ccc(SCCC(=O)NCCCCC#N)cc1C 171505935 YEGSSRSHSMPDPH-UHFFFAOYSA-N 290.432 3.596 30 20 CHED N#CCc1ccc(NCc2ccc3c(c2)CCC3)cc1 70498748 MDOUCYAFTVBNTR-UHFFFAOYSA-N 262.356 3.853 30 20 CHED CCCc1ccc(Nc2cc(C#N)nc(CC)n2)cc1 308367399 IMZSGMRXNRSELG-UHFFFAOYSA-N 266.348 3.607 30 20 CHED C=C(C)CCN1CCC2(CC1)CCN(Cc1ccccc1)C2 508960804 ANNKLHWCWDEBDI-UHFFFAOYSA-N 298.474 3.941 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)c1ncc(C)o1 411131960 KAGKXSTUERMYCW-CQSZACIVSA-N 256.349 3.732 30 20 CHED CCC[C@H](C(=O)N1CCC(CCC#N)CC1)C(C)C 519158833 CDHKKXKEVXLSLP-HNNXBMFYSA-N 264.413 3.601 30 20 CHED CSCCCSCc1cc(C#N)ccc1F 320299075 DOAYJIRJSBOCAX-UHFFFAOYSA-N 255.383 3.684 30 20 CHED C=CCC1(NCc2cnn(C(C)(C)C)c2)CCCC1 657702462 KCTUTAVSADRIKG-UHFFFAOYSA-N 261.413 3.617 30 20 CHED COc1cc(CN[C@@H](C)CCC(C)(C)C)ccc1C#N 395284191 BBYHIXGFWBGVCQ-ZDUSSCGKSA-N 274.408 3.871 30 20 CHED C=C(CC)CNC1CCC(CNC(=O)OC(C)(C)C)CC1 825221515 PCURVKKVRSTPSO-UHFFFAOYSA-N 296.455 3.626 30 20 CHED C=CCN(Cc1ccccc1)C[C@H](O)c1ccc(C)cc1 743261744 OTDIWQLHYILYBH-IBGZPJMESA-N 281.399 3.717 30 20 CHED C=CCCCSCc1ccccc1CC(=O)O 833373926 JGCGHBSRFQVOSE-UHFFFAOYSA-N 250.363 3.513 30 20 CHED COc1ccccc1NC(=S)NN=C1CCC(C)CC1 6299250 RLBXMZOHIRYERR-UHFFFAOYSA-N 291.420 3.548 30 20 CHED Cc1ccc(NC(=S)Nc2cccc(C#N)c2)cc1 7517775 MNUMBJKRGFYUCO-UHFFFAOYSA-N 267.357 3.676 30 20 CHED CCCCCCCCC(=O)N[C@H](C(=O)O)C1CCCCC1 109687790 AJNOSOAILNIZPX-INIZCTEOSA-N 297.439 3.887 30 20 CHED Cc1cc2occ(CC(=O)O[C@@H]3CC[C@H](C#N)C3)c2cc1C 179985798 OZGAVCRQCBBMOQ-DZGCQCFKSA-N 297.354 3.828 30 20 CHED CC(C)OC(=O)[C@@H](C)C/N=C/c1c(O)ccc2ccccc12 173989499 ILSLTUZPTVFQQH-MDBUFAAASA-N 299.370 3.552 30 20 CHED COc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1OC 114992267 DDOGWUKMOPNKBT-NTUHNPAUSA-N 298.313 3.665 30 20 CHED N#Cc1ccc(OCCN2CCC[C@@H]2c2ccccc2)cc1 54993491 VWKQJNGMISTSEI-LJQANCHMSA-N 292.382 3.774 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2nccn2C2CC2)cc1 26121375 OHDKWQXYRRTOQR-OAHLLOKOSA-N 283.400 3.753 30 20 CHED C=CCCC(=O)N1CCC[C@H]1CCc1ccccc1 102334940 FHABGQRNVMJXGF-INIZCTEOSA-N 257.377 3.576 30 20 CHED Cc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(C)o1 175775050 UUNBCUWZCDVDBH-LLVKDONJSA-N 269.300 3.686 30 20 CHED C=C(C)CCOC(=O)Cc1c[nH]c2cccc(C)c12 174804339 ZURIBOUDXYPVAO-UHFFFAOYSA-N 257.333 3.528 30 20 CHED N#Cc1ccc(CNCc2cc3ccccc3o2)c(F)c1 105642761 YIDVVLSFNZVNGX-UHFFFAOYSA-N 280.302 3.733 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)CC 102607838 VOIOAFMUQPQATM-UHFFFAOYSA-N 270.376 3.509 30 20 CHED C=CCOc1ccc(CN[C@](C)(CO)CCC)cc1Cl 177322245 VRHIOCGVBXZWKG-INIZCTEOSA-N 297.826 3.546 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(Cl)c1F 116998052 MMOUFRBUXYRWMF-QMMMGPOBSA-N 256.708 3.565 30 20 CHED CSc1cc(C)ccc1CNc1ncccc1C#N 301609671 PVTJEDRPIDPSPQ-UHFFFAOYSA-N 269.373 3.596 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC1(C2CC2)CCC1 178864752 HFXMMTKBFJHBMZ-UHFFFAOYSA-N 283.375 3.569 30 20 CHED N#CC1CCN(Cc2ccc(SC(F)F)cc2)CC1 64569569 SBACLHJKIZYNFW-UHFFFAOYSA-N 282.359 3.737 30 20 CHED CCCCCCCCc1nnc(NC(=O)C2CC2)s1 302223052 QSDFERXOOKLXHR-UHFFFAOYSA-N 281.425 3.790 30 20 CHED C=CCN1CCC(N[C@@H](CC)C2CCCCC2)CC1 177913961 UXAVWYGRXODZNF-KRWDZBQOSA-N 264.457 3.585 30 20 CHED Cc1ccc(C#N)c(Sc2ccc3c(c2)OCCCO3)n1 124416472 VFKWVUQQSPTNQE-UHFFFAOYSA-N 298.367 3.574 30 20 CHED Cc1cccc(COc2cccc(C(=O)O[C@H](C)C#N)c2)c1 25780788 CLXZOKXCHAAIRH-CQSZACIVSA-N 295.338 3.643 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(N2CCCC2)cc1C 116998200 VDSBWVXNGPXZPB-CQSZACIVSA-N 287.407 3.681 30 20 CHED C[C@H]1C[C@@H](C)CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 181577712 XBIMZLDTNHIYTD-GJZGRUSLSA-N 296.414 3.750 30 20 CHED Cc1nc(Cl)sc1C(=O)Nc1cccc(C#N)c1C 178408751 DFLVTQICPXDWAV-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CC(C)C[C@@H](C)CC(=O)N(C)c1cccc(C#N)c1 67819663 AXDUFRJGEOTVMU-CYBMUJFWSA-N 258.365 3.593 30 20 CHED N#Cc1ccc(OC(=O)C[C@H]2CCc3ccccc32)cc1 115202018 AMJKVUSUNKAQAK-OAHLLOKOSA-N 277.323 3.584 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1ccccc1C#N 353647937 NEFKYDKRGRPADO-AWEZNQCLSA-N 262.356 3.505 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc2ccccc2[nH]1 178631206 BQJKFIVSADQRHN-UHFFFAOYSA-N 275.311 3.600 30 20 CHED CC1CCC(N(C)Cc2ccc(O[C@H](C)C#N)cc2)CC1 179718269 SIBPRXMZFLTTFB-ISXOHVOVSA-N 286.419 3.988 30 20 CHED N#Cc1ccc(CNCC2(c3ccc(Cl)cc3)CC2)o1 174341587 ZMPYCANJAUNJSY-UHFFFAOYSA-N 286.762 3.626 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OC)c(OCC)c1 124605924 IKGDOQIHBBEZQH-UHFFFAOYSA-N 289.375 3.801 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(O)c2)ccc1F 303219589 RIOUQAFQVIXDLL-SOFGYWHQSA-N 256.276 3.736 30 20 CHED Cc1cc([C@H](C)Nc2ccc(Cl)c(C#N)n2)c(C)o1 67369922 FSOPFCZIVXGAFG-VIFPVBQESA-N 275.739 3.990 30 20 CHED CC(C)c1ccc(OCCNc2ccc(C#N)nc2)cc1 301494015 AJTMBQWRJFEEBY-UHFFFAOYSA-N 281.359 3.568 30 20 CHED C=C(Br)CNCc1ccc(C(C)(C)C)cc1 122714962 HCJZHLIOIDZDSL-UHFFFAOYSA-N 282.225 3.982 30 20 CHED Cc1ccc(N/C(N)=N/CC2(c3ccccc3)CC2)cc1C 303791086 WYSSPLKMOOGIQX-UHFFFAOYSA-N 293.414 3.762 30 20 CHED C=CCN(Cc1csc(COC)n1)Cc1cccs1 75593219 OMSWIHCGIRULJA-UHFFFAOYSA-N 294.445 3.539 30 20 CHED C=CCN(CCOC)Cc1cc(Cl)ccc1Cl 483427042 QLTXOGYECQDVDJ-UHFFFAOYSA-N 274.191 3.628 30 20 CHED CCC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 125607261 XRCOALNPHSNYHP-GOEBONIOSA-N 299.418 3.841 30 20 CHED N#Cc1sc(Oc2ccc(F)cc2)nc1Cl 260415660 NNCUIGBKNRZODT-UHFFFAOYSA-N 254.673 3.600 30 20 CHED CCCCOc1ccc(CN(CC)CCC#N)cc1OC 127651924 ZMYLYLUJYDPLDS-UHFFFAOYSA-N 290.407 3.610 30 20 CHED CCCCCC(C)(C)CNC(=O)N1CCC(C#N)CC1 123664046 NGXBJWCBCMNSHE-UHFFFAOYSA-N 279.428 3.538 30 20 CHED Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 33178823 UFZSLIQXCHSTFM-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C[C@@]1(CNc2cc(C#N)ccc2C(F)(F)F)CCCO1 126828512 KNGZDIVJMWSDIJ-ZDUSSCGKSA-N 284.281 3.558 30 20 CHED C[C@H]1CCCCCN1C(=O)c1cccc(SCC#N)c1 79500863 LEOMQNUXASIELK-ZDUSSCGKSA-N 288.416 3.707 30 20 CHED CC[C@H]1c2ccsc2CCN1CCCSCC#N 74981773 NSWRQEIFAIBTBF-ZDUSSCGKSA-N 280.462 3.704 30 20 CHED N#Cc1ccc(NC(=O)c2scnc2C2CCCC2)cc1 183658291 YTIDSUBBWXYSTO-UHFFFAOYSA-N 297.383 3.925 30 20 CHED N#Cc1ccccc1OCCCOCCc1ccccc1 37138820 NLOSKECMSNRFOO-UHFFFAOYSA-N 281.355 3.586 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(C#N)s1 188691995 URLMBIFNTHMEQR-UHFFFAOYSA-N 272.373 3.655 30 20 CHED C[C@@H]1CC[C@@H](C)N(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 410535555 TVRCKQLHRIEWJA-HUUCEWRRSA-N 298.430 3.774 30 20 CHED C=C(C)[C@H](NC(=O)c1ccco1)c1ccc(F)c(F)c1 186031210 RQZDLHSUYATAKZ-AWEZNQCLSA-N 277.270 3.605 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1C=CCCC1 187235245 MGLWRQSKBCKCCA-OAHLLOKOSA-N 285.362 3.534 30 20 CHED CCO[C@H]1C[C@H](N(C)CCCC(C)(C)C#N)C12CCC2 120834799 UNZMNQGEDNKGQO-GJZGRUSLSA-N 278.440 3.596 30 20 CHED COc1cc(Cl)ccc1CN[C@H]1CCC[C@H](C#N)C1 185836151 XJTQGLVCOJCCKR-FZMZJTMJSA-N 278.783 3.521 30 20 CHED N#Cc1cccc(Cl)c1N1CCC(C(F)(F)F)CC1 78558634 ZBFWLXCBRWMADV-UHFFFAOYSA-N 288.700 3.990 30 20 CHED CCc1c(C)sc(NC(=O)CCC(F)(F)F)c1C#N 74729454 VRYOJJOVMZFPSD-UHFFFAOYSA-N 290.310 3.772 30 20 CHED C=C(C)CN(C)C(=O)NCC(C)(C)c1ccccc1Cl 180974713 VICWQWRQZPFBRJ-UHFFFAOYSA-N 294.826 3.835 30 20 CHED C=CCC[C@@H](NC(=O)CCCOCC)c1ccccc1 133982792 TXQGTJRGQODKQK-MRXNPFEDSA-N 275.392 3.627 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(C)cnc1OC)c1ccccc1 137241015 WLGISYRBHIGFSL-AWEZNQCLSA-N 296.370 3.697 30 20 CHED COC1(CCSCc2ccccc2C#N)CCC1 419390734 IVRJDYRJRAEGOY-UHFFFAOYSA-N 261.390 3.751 30 20 CHED C=CCNc1ccccc1C(=O)N(CCC)C(C)C 135838660 OUFWLMIMJDHPPI-UHFFFAOYSA-N 260.381 3.545 30 20 CHED C=CCCC(=O)COc1cc(C(F)(F)F)ccc1F 413018695 RRSZDWFLXVPCGX-UHFFFAOYSA-N 276.229 3.759 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccccc1Cl 414166326 NIJXEBARJPRKJH-LLVKDONJSA-N 250.773 3.930 30 20 CHED N#Cc1cc(F)ccc1NCc1c(F)cc(F)cc1F 338786197 NOOBBUXKAXJNFT-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C[C@@H](Nc1ccn(CCC#N)n1)c1ccc(Cl)cc1 86154875 WCTRXOOAAAIQFK-LLVKDONJSA-N 274.755 3.623 30 20 CHED C=CCC1(C(=O)N2CCC(OC3CCCC3)CC2)CCC1 190835348 VBMJMOXOLXDTAA-UHFFFAOYSA-N 291.435 3.683 30 20 CHED N#C[C@H]1CCC[C@H](NCCCc2cccc(Cl)c2)C1 192977435 CAMYKUSHOMZWCI-HOCLYGCPSA-N 276.811 3.945 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C 46896114 PAAYIESXHOOSFI-ZFWWWQNUSA-N 287.407 3.575 30 20 CHED CCCCC/C(O)=N/S(=O)(=O)c1ccccc1Cl 48518876 GNXRAVMLIZUXBO-UHFFFAOYSA-N 289.784 3.566 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(OC(C)C)cc1 190245333 AWIZLDJSNRBHEJ-QGZVFWFLSA-N 275.392 3.692 30 20 CHED N#C[C@H](C(=O)CCC1CCCC1)c1nc2ccccc2[nH]1 46440807 QHYBVHRMMNBBSM-CYBMUJFWSA-N 281.359 3.710 30 20 CHED C=CCSCC(=O)N[C@H](CC(C)C)c1ccccc1 44335243 XIOZLIFIJICPIP-OAHLLOKOSA-N 277.433 3.809 30 20 CHED Cc1cccc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 49373203 DYJYBHXQCPOVHR-CJNGLKHVSA-N 290.432 3.530 30 20 CHED C=CCN(Cc1ccccc1)Cc1oc(CC)nc1C 428465062 SFPKPHZFGHBIKI-UHFFFAOYSA-N 270.376 3.734 30 20 CHED C[C@@H](NCC1(O)CCC(C)(C)CC1)c1ccc(C#N)cc1 87046331 ZYQKCURCGOTGLQ-CQSZACIVSA-N 286.419 3.540 30 20 CHED COc1ccc(NCCCC(C)(C)C#N)cc1F 87597297 QSBLCPJTYHPFLP-UHFFFAOYSA-N 250.317 3.576 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](CC(C)(C)C)C1 424869695 WTNBYSGDOCUZIB-CYBMUJFWSA-N 251.414 3.873 30 20 CHED C=CCC(C)(C)c1nc(-c2cnn(-c3ccccc3)c2)no1 426452035 UIHSGTOTFASVNX-UHFFFAOYSA-N 294.358 3.776 30 20 CHED Cn1cc(CN2CCC[C@H]2c2ccc(Cl)cc2)cc1C#N 191230126 ONVRCNXIMYBJCF-KRWDZBQOSA-N 299.805 3.887 30 20 CHED CC(C)(C#N)c1ccccc1CNC(C)(C)c1nccs1 135236328 KRDVZVBBQBIQQF-UHFFFAOYSA-N 299.443 3.969 30 20 CHED CCN(Cc1cc(Cl)cc(Cl)c1N)C[C@H](C)C#N 381164941 AAXWCGPDBRURFJ-SECBINFHSA-N 286.206 3.557 30 20 CHED C[C@@H](C#N)CNc1nc(-c2cccs2)nc2ccccc12 80757736 WCQIHZXQMDFKFO-NSHDSACASA-N 294.383 3.930 30 20 CHED N#Cc1ccc(NCc2ccccc2)cc1Br 228173587 LPDRPJCLJYKRII-UHFFFAOYSA-N 287.160 3.933 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(Cl)cc1OC 424660624 JJLCXAZZVSUBMS-UHFFFAOYSA-N 281.783 3.567 30 20 CHED CCc1nc(CNc2cc(C#N)c3ccccc3n2)cs1 328449911 GSHUCXWAGPCCJE-UHFFFAOYSA-N 294.383 3.737 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1cccc(CC#N)c1 510568464 AMPQZCGIIPFXLA-GOEBONIOSA-N 284.403 3.699 30 20 CHED C=CCN(CCc1ccccc1)Cc1cnc2ccccn12 512037704 HAXDJNNVFCMAPW-UHFFFAOYSA-N 291.398 3.565 30 20 CHED C=C(CNC(=O)N1CC[C@H]1c1ccccc1)c1ccccc1 512674601 XZROBEWNFYRZTG-SFHVURJKSA-N 292.382 3.856 30 20 CHED C=CCCCCCN1CCC([C@@](C)(O)C(F)(F)F)CC1 516526115 VPPDBZQWILMMGC-CQSZACIVSA-N 293.373 3.758 30 20 CHED C=CCC[C@H](NC(=O)c1c[nH]nc1C1CC1)c1ccccc1 190776663 OXWHXWFVVBPKMF-INIZCTEOSA-N 295.386 3.724 30 20 CHED Cc1cccc([C@H]2CCCCN2C(=O)[C@@H](C)C#N)c1C 336347823 SVCZISGUKJYYTM-XJKSGUPXSA-N 270.376 3.517 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1S[C@@H]1CC[C@H](C#N)C1 335231964 BSTDMNPVVYTPCX-WCBMZHEXSA-N 297.305 3.756 30 20 CHED CCCC1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1 333186112 OBWCCNQXTUTEDA-JTTJXQCZSA-N 288.435 3.936 30 20 CHED Cc1ccsc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 193049828 XNLWBDIHHMDVMZ-UHFFFAOYSA-N 296.395 3.733 30 20 CHED CC[C@H](C)CCC(=O)N[C@](C)(C#N)CCc1ccccc1 511712373 MVYUPXBXKYGBLV-YJBOKZPZSA-N 286.419 3.844 30 20 CHED C=CCCCCCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 518952746 VIMOCUGLXJJYHX-HOTGVXAUSA-N 263.425 3.766 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@@H](C)C[C@H](C)C1 514615891 NIMRFAPBSVQXIB-KBPBESRZSA-N 288.439 3.604 30 20 CHED C=CC[C@H](C)N[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 338777417 ZQHYJPJXMSOOKQ-JQFCIGGWSA-N 287.403 3.722 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N(C)CC(C)(C)C 510044358 LBLSOIFPZWREBP-UHFFFAOYSA-N 299.418 3.644 30 20 CHED C=CCN(Cc1ccc(OC(F)F)c(OCC)c1)C1CC1 338427039 YVWTZBMTEQSOTB-UHFFFAOYSA-N 297.345 3.837 30 20 CHED CCn1nc(C)c(/C(O)=N/[C@@H](C)c2cc(C)oc2C)c1C 330456686 OCRJISJBNQLACR-JTQLQIEISA-N 289.379 3.795 30 20 CHED CCCC[C@H](COC)N[C@@H](CCC#N)c1ccccc1 90665298 WHINXKKRHNSEEF-SJORKVTESA-N 274.408 3.826 30 20 CHED Cc1cc(NC(=O)CCC2CCCC2)c(C#N)cc1N(C)C 331172862 ZWXLATJTHODJBM-UHFFFAOYSA-N 299.418 3.842 30 20 CHED N#CCCCc1nc(Cc2cccc(C(F)(F)F)c2)no1 236127876 WOURCRLGQIFVHV-UHFFFAOYSA-N 295.264 3.525 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1cc(C#N)oc1C)C(C)C 435465877 YKPRHPQPMSPSFU-KRWDZBQOSA-N 296.370 3.895 30 20 CHED C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccsc1 619786736 LLVSETNSMUTFCE-LLVKDONJSA-N 285.372 3.697 30 20 CHED C=CCCC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 91799103 BCVMXWSXZQNUDZ-LBPRGKRZSA-N 289.272 3.902 30 20 CHED CC[C@H]1CCCCN1C(O)=Nc1cnn([C@H](C)CC)c1C 331133954 POUXDCGSBMWXSZ-OCCSQVGLSA-N 292.427 3.973 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1CCCCC1(F)F 334817590 MYHVXAILKKHROV-LBPRGKRZSA-N 278.302 3.517 30 20 CHED C[C@H](C#N)CN[C@H](C)COc1ccc(Cl)c(Cl)c1 520724366 CKRRUBRHJZLISD-NXEZZACHSA-N 287.190 3.510 30 20 CHED N#Cc1cc(F)c(N[C@H]2CCc3c(O)cccc32)c(F)c1 91484970 NATUIMPBOBRFFV-AWEZNQCLSA-N 286.281 3.641 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(O)c1 93101034 FORHBJAVTYCDBF-UHFFFAOYSA-N 260.381 3.544 30 20 CHED C[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)[C@H]1C 437899905 XVJMKPUGNNJFEA-RYUDHWBXSA-N 294.345 3.780 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CCC1CC1 346339337 PQFWPYXXNQPKAX-NSHDSACASA-N 271.364 3.567 30 20 CHED N#Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 245681908 HMPWKFUPGUVFSY-OKZBNKHCSA-N 296.414 3.781 30 20 CHED C=C(C)[C@H](N[C@H]1CCN(C)[C@@H](C)C1)c1ccc(F)c(F)c1 248543300 CZBVJZVBPVHICV-JDFRZJQESA-N 294.389 3.654 30 20 CHED CSc1ccccc1N(C)C(=O)c1ccc(CC#N)cc1 340207958 YIAWOBZWBAFVQI-UHFFFAOYSA-N 296.395 3.751 30 20 CHED Cc1ccccc1-n1ccnc1SCC1(C#N)CC1 347021716 MWWHFYUYGGGGIU-UHFFFAOYSA-N 269.373 3.577 30 20 CHED CC[C@@H](C)c1cc(C(=O)Nc2ccccc2CC#N)on1 344353011 CNPRKMOSBSKNAF-LLVKDONJSA-N 283.331 3.506 30 20 CHED C=CCC[C@@H](NC[C@@H](c1ccccc1)N(C)C)C1CC1 439086086 PHMMIKIQQCBECB-MSOLQXFVSA-N 272.436 3.624 30 20 CHED C[C@@H]1CC[C@H](CC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 247772553 WIFHFGQGJAKZPK-AGIUHOORSA-N 281.359 3.565 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@H](C)CC(C)(C)C1 432582044 ZXGGVXBAJCPEBS-CYBMUJFWSA-N 266.429 3.666 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCc1ccc2occc2c1 602709927 KSQOJHGKYQLVSF-AWEZNQCLSA-N 298.386 3.621 30 20 CHED C=CCCN(C)C(=O)c1occc1COc1ccccc1 341987871 XJALFDXNFLMNBR-UHFFFAOYSA-N 285.343 3.507 30 20 CHED COc1cc(OCCSc2ccccc2)ccc1C#N 435784484 FEBJOFLZMIJQPL-UHFFFAOYSA-N 285.368 3.738 30 20 CHED C=CCC[C@H](NC(=O)NC1CCC1)c1ccccc1 435102570 UZMJTRBLAHEENC-HNNXBMFYSA-N 258.365 3.546 30 20 CHED COCC1(C#N)CCN([C@@H](C)c2ccccc2Cl)CC1 341981540 CFMNICPWJZGUSK-ZDUSSCGKSA-N 292.810 3.653 30 20 CHED COC(=O)c1ccc(/C=C2/C[C@H](C)c3ccccc3C2=O)o1 255104962 DLCBTOWRPIEFCE-NIANNCQZSA-N 296.322 3.840 30 20 CHED Cc1ccc(C)c(OCCCN(C)CC(C)(C)C#N)c1 433309688 CDOIBELJTSVZJO-UHFFFAOYSA-N 274.408 3.554 30 20 CHED C[C@@H](C1CC1)N(Cc1ccc(CC#N)cc1)C1CC1 342667988 OMMBGHZDXJWGNS-ZDUSSCGKSA-N 254.377 3.516 30 20 CHED N#Cc1c(NC(=O)C[C@@H]2C=CCC2)sc2c1CCCC2 346350768 NLMKKSFWHWQKEM-LLVKDONJSA-N 286.400 3.793 30 20 CHED C=CCCN(C)[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 342765566 PMXUBTAHGVKESY-NVXWUHKLSA-N 288.435 3.540 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cnc3ccccn23)cc1 255024738 AYDQQDFJQBQLCO-FLIBITNWSA-N 292.338 3.629 30 20 CHED COc1ccc(-c2nc(C3CC3)cs2)cc1C#N 600788845 OWJRSSZVQAICSX-UHFFFAOYSA-N 256.330 3.568 30 20 CHED C=CCNC(=O)N[C@H](Cc1ccccc1)c1ccccc1F 607170568 PZIZRSFOACXREF-QGZVFWFLSA-N 298.361 3.595 30 20 CHED N#CCCCCN1CCC(c2ccccc2F)CC1 609895412 OCXJVPMGLCRUSV-UHFFFAOYSA-N 260.356 3.699 30 20 CHED CC(C)c1cccc(C(=O)Nc2ccc(Cl)c(C#N)c2)n1 353790672 QIKCELOQCVYPJL-UHFFFAOYSA-N 299.761 3.982 30 20 CHED COc1cc(Br)cc(N[C@@H]2CC[C@@H](C#N)C2)c1 442857402 PMRQGXVAYYXGAW-MWLCHTKSSA-N 295.180 3.562 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@H]1OCCc2ccccc21 609586608 YODFKWIFFYDOSL-QGZVFWFLSA-N 298.773 3.938 30 20 CHED CCCCN(Cc1ccccc1F)C(=O)[C@]1(C#N)C[C@H]1C 448671195 OLIFFUXDZUQOKQ-DYVFJYSZSA-N 288.366 3.504 30 20 CHED CC[C@@H](NCC1(C2CC2)CC1)c1ccc(C#N)cc1 447576181 WPWBWQZVSYUTSQ-MRXNPFEDSA-N 254.377 3.789 30 20 CHED CCC1(CNC(=O)C[C@H](CC#N)c2ccccc2)CCC1 356326936 DWOXUPSXLACNMG-INIZCTEOSA-N 284.403 3.770 30 20 CHED CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(C#N)cc1 352608687 OHHVFFOGNAEAOT-JOYOIKCWSA-N 256.271 3.550 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)N(CCC#N)C(C)C)cc1 530925363 SUIFYSONRVYWSA-CQSZACIVSA-N 288.391 3.628 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](NCC1(C#N)CC1)c1ccc(Cl)cc1 538325262 VPLWOTWTJRKQJQ-UGFHNGPFSA-N 274.795 3.930 30 20 CHED C[C@@H](N(C)C(=O)C[C@@H](CC#N)c1ccccc1)C1(C)CC1 356368120 NGILPFZCIVEKSD-GDBMZVCRSA-N 284.403 3.721 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1nc2c(cc1C#N)CCC2 610280470 QXUUNQBXJDPONN-IEBWSBKVSA-N 289.382 3.584 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC1CCC2(CCCO2)CC1 618807458 UPJNIWYDXFIQBR-CUYAVPTFSA-N 296.414 3.627 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 617779745 IHEHCHGJWCTCQW-COXVUDFISA-N 287.378 3.744 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(C2CC2)on1 264763714 IYBYUVLPHKWZMH-UHFFFAOYSA-N 288.391 3.761 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C1(C)C 617987564 XSBVRGXXPKLQIE-KFWWJZLASA-N 288.435 3.766 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCc2ccc(F)cc21 357473724 MFSSLAGAPAWTTJ-NVXWUHKLSA-N 275.367 3.922 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc2occc2c1 352851101 ADDOEHNXHUOADE-DOTOQJQBSA-N 271.360 3.504 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1ccc(Cl)cc1 454159024 MSMKZQIBJGNESV-NSHDSACASA-N 266.772 3.666 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C1CC2(CC2)C1 614242137 NZRGQKGAVCSYFW-UHFFFAOYSA-N 269.388 3.782 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1nccc(C)c1C#N)CC2 612077908 WSKAHJWNFMZXCK-MRXNPFEDSA-N 263.344 3.670 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)ccc1Cl 539783933 XXYXWVITVMTLAW-NHYWBVRUSA-N 288.778 3.616 30 20 CHED N#CCC[C@H](NC(=O)N1CC[C@@H]2CCC[C@H]21)c1ccccc1 614477192 JDCHTXWBQJHJMS-YESZJQIVSA-N 297.402 3.615 30 20 CHED Cc1ccc(C#N)c(NC[C@H]2CSc3ccccc32)n1 450553401 BQSGNGPRFOGBSZ-ZDUSSCGKSA-N 281.384 3.563 30 20 CHED C=CCCC[C@H](C)N[C@H]1CCC[C@H](c2ccnn2C)C1 369616351 RFDKPTHFFVPYMH-JYJNAYRXSA-N 275.440 3.781 30 20 CHED CC(C)[C@]1(C)C[C@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 458102931 CLZWKMHWVFNXGF-APWZRJJASA-N 298.430 3.678 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc2occc2s1 610901118 DQYICRLKZMHHLC-UHFFFAOYSA-N 282.324 3.927 30 20 CHED CCC(CC)NC(=O)c1c(Cl)cc(C#N)cc1Cl 611093156 HESXIMBNTHWASR-UHFFFAOYSA-N 285.174 3.783 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](CC)Nc1ccccc1 539523112 RTEKUXQXDXVJER-ZBFHGGJFSA-N 274.408 3.738 30 20 CHED CCN(CC1CCC1)C(=O)Nc1cc(C)cc(C#N)c1 455954450 MEYIBQGIMNJNMG-UHFFFAOYSA-N 271.364 3.521 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(F)c(C#N)c1 534138545 WQHCPVAYDQBREY-SNVBAGLBSA-N 262.328 3.708 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@H]1C1CCCC1 455364049 IRDBXVOUFAZGNG-AWEZNQCLSA-N 264.413 3.563 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](CC)CNc1ccccc1 452456681 CDJJXZDRNSAJSW-PBHICJAKSA-N 274.408 3.596 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cc(C)sc1C)C1CC1 271525323 WNOGQGDAKBDWOT-LLVKDONJSA-N 278.421 3.786 30 20 CHED CC#CCCCC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 279892425 FDEOOEFYCGHLHG-WBVHZDCISA-N 287.378 3.772 30 20 CHED Cc1cccc(C(=O)N[C@H](C)c2cccc(C#N)c2)c1C 610364336 QJWCCSGAQCRRBJ-CQSZACIVSA-N 278.355 3.666 30 20 CHED N#CCCCNC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 454794354 VDHQYDJUSXDOLU-INIZCTEOSA-N 297.402 3.617 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1OCCC)OCC 270057008 STVHBWIKYARZET-INIZCTEOSA-N 291.391 3.785 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CCOC(C)(C)C1 455597958 DNOFTUGAOSXOGH-HNNXBMFYSA-N 296.455 3.579 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(OC)c(OC)c1C 453314152 XOIGLMTVYFAEFZ-CYBMUJFWSA-N 277.408 3.875 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)CC12CCC2 271250405 HQTJAHOXAFYDBS-CYBMUJFWSA-N 283.375 3.602 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 276380792 LONKWALSXGGBEW-MNOVXSKESA-N 281.758 3.617 30 20 CHED C=CCCN(C)C(=O)c1ccc(O[C@@H](C)CC)cc1 276382424 LSRMFQXOFBEZNS-ZDUSSCGKSA-N 261.365 3.512 30 20 CHED C=CCN(C(=O)CCCOCc1ccccc1)C(C)(C)C 622943937 XWLZAORXGMVRAF-UHFFFAOYSA-N 289.419 3.797 30 20 CHED C=CCN(C(=O)[C@H]1CCC(=O)c2ccccc21)C(C)(C)C 622945412 COCMQCRRTHULPS-HNNXBMFYSA-N 285.387 3.560 30 20 CHED C[C@H](C#N)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 270978838 BCBQRCVYVXMRBS-WBMJQRKESA-N 285.778 3.520 30 20 CHED C=CCC1(CNC(=O)c2ccoc2CC)CCCC1 456499268 BCHLALWDGPNFLJ-UHFFFAOYSA-N 261.365 3.708 30 20 CHED N#C[C@H]1CCC[C@H](NC2(Cc3ccc(F)cc3)CC2)C1 453333192 BEJXTNBPWRPLOT-HOCLYGCPSA-N 272.367 3.573 30 20 CHED C=C(C)CCN[C@H](C)c1nc2ccc(Cl)cc2n1C 453323617 RYZKSQGKHWMQQJ-LLVKDONJSA-N 277.799 3.844 30 20 CHED Cc1cccc([C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)c1 457075872 JDBBOANZRXBWDZ-HUUCEWRRSA-N 292.382 3.848 30 20 CHED C[C@H](COc1cccc(F)c1)N[C@H](C)c1ccc(C#N)cc1 540597965 YIDHBVDWUNOJKT-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED Cc1ccccc1[C@@H]1CN(CCC(C)(C)C#N)[C@@H](C)CO1 272045243 RWYNYNSUFLBMEH-RDJZCZTQSA-N 286.419 3.697 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2ccccc2CC1 540566624 NCYUPTBVETYWQL-HNNXBMFYSA-N 286.419 3.542 30 20 CHED C=CCN(C(=O)Nc1ccccc1C(F)(F)F)C1CC1 271290919 AEEVOYUVERSBQH-UHFFFAOYSA-N 284.281 3.888 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCCSCc1ccccc1C#N 541209050 CIQXAWFDAGWSND-HUUCEWRRSA-N 288.460 3.982 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCCC#N 462725245 AXARUMUMCBLUDZ-RDJZCZTQSA-N 299.418 3.549 30 20 CHED C=CCN(C)C(=O)c1c(C)cc(C)c(Br)c1C 626518556 SEOPTSJEDSYYRC-UHFFFAOYSA-N 296.208 3.632 30 20 CHED C=C(CC)CSc1nncn1-c1cccc(Cl)c1 540217343 NTJYLGKEZFPVLM-UHFFFAOYSA-N 279.796 3.979 30 20 CHED CC(C)c1occc1C(=O)Nc1cccc(OCC#N)c1 280216669 ADFWXPQJONMMQB-UHFFFAOYSA-N 284.315 3.558 30 20 CHED N#Cc1ccc(CN2CCC[C@H](c3ccccc3)C2)s1 552061436 LILVWNDNZHIKHB-HNNXBMFYSA-N 282.412 3.999 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2ccc(C#N)c(F)c2)c1 464640932 AIJADEFYFFYSQW-GFCCVEGCSA-N 282.318 3.748 30 20 CHED C=CC[C@H](CC)N[C@H]1CCN(C)[C@@H](c2ccccc2)C1 550796068 SRAQZAHPQDKUHH-OKZBNKHCSA-N 272.436 3.766 30 20 CHED C[C@H](NC(=O)CSCCC(C)(C)C#N)c1cccs1 289315747 AZIYUPHNEWGLLL-NSHDSACASA-N 296.461 3.598 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H]1CC[C@H](C)C1)c1ccccc1 469942056 UXPYAEDKOYYEAF-UXLLHSPISA-N 271.404 3.993 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)OCCCC)n1 551498114 NUSJAHHWSXGRAA-NSHDSACASA-N 252.358 3.801 30 20 CHED C=CCCCCNC(=O)Nc1cccc(Cl)c1 472134891 QPLOLXIYGRHOIZ-UHFFFAOYSA-N 252.745 3.818 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 294282521 HULDCDBGAUTTFI-ZDUSSCGKSA-N 275.392 3.863 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@@H](CC)c1ccccc1OC 808273014 QFTHHWKHJPOHAM-ZDUSSCGKSA-N 296.798 3.540 30 20 CHED C=CCN(CCC#N)Cc1cccc(C(F)(F)F)c1 292115529 HOXPHWKWZJFECR-UHFFFAOYSA-N 268.282 3.607 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(Cc3c(F)cccc3C#N)n2)C1 558311370 RXGRAQNJKPASKC-VXGBXAGGSA-N 299.349 3.965 30 20 CHED COc1cc(F)cc(NN=C[C@H]2CC[C@@H](C)C2)c1 800813986 OAQWGNUIOXSYSY-MNOVXSKESA-N 250.317 3.668 30 20 CHED C#CC[C@@H](NC(=O)CC[C@@H](C)CC)c1ccccc1 802887056 WKCSYJRQGOHHOU-GOEBONIOSA-N 257.377 3.694 30 20 CHED C[C@H](C=NNc1nc2ccccc2n1C)C(C)(C)C 800810893 YSYUVNTVHGWVME-LLVKDONJSA-N 258.369 3.653 30 20 CHED N#CCCCCCC(=O)OCc1cccc(Cl)c1F 805695795 IWFWCZNQZBOUCZ-UHFFFAOYSA-N 283.730 3.996 30 20 CHED C=CCOCCCN1C[C@@H](c2ccccc2)C(C)(C)C1 470770660 CDXKPEAGNKORDN-KRWDZBQOSA-N 273.420 3.705 30 20 CHED C#C[C@H](NC(=O)[C@H](C)C(C)(C)C)c1ccc(Cl)cc1F 804415192 DOVCNFMNTXSLFC-HZMBPMFUSA-N 295.785 3.952 30 20 CHED N#CCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 293467120 WVGZFQQNMHDADK-KZNAEPCWSA-N 296.414 3.865 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nccc2ccccc12 290608263 HSNLFNNKUCQRSF-OGWOLHLISA-N 296.414 3.867 30 20 CHED Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCCC#N)o1 292142855 OWDOVPQJJINZJB-TZMCWYRMSA-N 274.364 3.582 30 20 CHED Cc1ccccc1[C@H](NC[C@H](C#N)CCC#N)C(C)C 564853737 GCRSEXIELYJJDU-DOTOQJQBSA-N 269.392 3.725 30 20 CHED Cc1[nH]c2ccccc2c1C=NNCC1CCCC1 808007906 IJBJDFSCJXOKNW-UHFFFAOYSA-N 255.365 3.590 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCCc2sccc21 292243304 DSCCENHIUFHRQW-LBPRGKRZSA-N 263.406 3.844 30 20 CHED CCCc1ccc([C@@H](NCCO[C@@H](C)C#N)C(C)C)cc1 801929833 VNRUOHQYEXXBKX-YJBOKZPZSA-N 288.435 3.854 30 20 CHED C=C(C)[C@@H](N[C@H](C)CCC#N)c1ccc(F)c(F)c1 299193939 DGHYPYQTQAWQQJ-IAQYHMDHSA-N 264.319 3.864 30 20 CHED CCCSCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 298825619 RNHZKQVYMNBOMP-ZDUSSCGKSA-N 290.432 3.611 30 20 CHED C[C@@H]1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)c2ccccc21 809159198 KFWIWVYDNFOVLP-CEITULEQSA-N 295.294 3.684 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 567136159 VGBSBVMNUSMQIJ-NTZNESFSSA-N 289.766 3.522 30 20 CHED CSCC[C@](C)(C#N)NC(=O)C[C@H](C)CCC=C(C)C 567272727 SDLKLXPRZSTIHW-GDBMZVCRSA-N 296.480 3.911 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=CC1Cc2ccccc2C1 807990966 PQNSDJYPEMTUSU-UHFFFAOYSA-N 295.342 3.716 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] 804682406 IZMSQUCLYSMDCL-QMTHXVAHSA-N 296.754 3.641 30 20 CHED C=CCC(F)(F)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 815770353 MAAJAILKNRWIPJ-NXEZZACHSA-N 299.283 3.683 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@]1(C)CC1(Cl)Cl 819558219 PZASVCAMUIDPMR-GFCCVEGCSA-N 278.223 3.679 30 20 CHED C=CCC(C)(C)CNC(=O)C(F)(F)c1ccc(OC)cc1 817457227 NGTALMGWUCFBEB-UHFFFAOYSA-N 297.345 3.506 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)C(=O)c1ccc(CC)cc1 815312237 PIEJERVNBSJOQN-LLVKDONJSA-N 296.313 3.575 30 20 CHED CCC(=NNc1nc(-c2cccnc2)no1)C1CCCCC1 814950602 NLXBJJSRIMYWAR-UHFFFAOYSA-N 299.378 3.890 30 20 CHED N#Cc1c(F)cccc1COc1ccccc1Cl 488245885 GVOZKKBABWYBLN-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C#CCCCC(=O)Oc1ccc(OCC2CC2)c(Cl)c1 816216206 BQKFISKAARNLEW-UHFFFAOYSA-N 292.762 3.838 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)C 482416726 UUNOKIWRZRMQRL-XJKSGUPXSA-N 272.392 3.808 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)c(F)c1)C2 811695197 ZYJNBDUDVZTVTP-ACAGNQJTSA-N 281.261 3.659 30 20 CHED CO[C@](C)(C=NNc1c(F)cccc1Cl)C1CC1 814904850 BMHCESCVWQVJDU-CYBMUJFWSA-N 270.735 3.692 30 20 CHED C=CCCCN1CC[C@@](F)(c2cc(F)cc(F)c2)C1 571585735 AJYHYOQQXNZJGD-HNNXBMFYSA-N 269.310 3.802 30 20 CHED C[C@H](C#N)CN[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 575985168 RVETZGIEBNKSOB-IVMMDQJWSA-N 276.811 3.800 30 20 CHED O=C(O)C1(c2ccccc2)CC(=NOC2CCCCC2)C1 814908592 ACWZLJPDXSJZMZ-UHFFFAOYSA-N 287.359 3.508 30 20 CHED C=CCCCCOC(=O)c1csc([C@@H]2CCCO2)n1 811010149 LJDAIZBVBJQKLK-LBPRGKRZSA-N 281.377 3.508 30 20 CHED CN(Cc1ccc(C#N)cc1Br)CC(C)(C)C 480684063 NSKCJRWFZWJOJN-UHFFFAOYSA-N 295.224 3.799 30 20 CHED C=CCCn1cc(CNc2ccc(CCCC)cc2)nn1 657320009 SHTGNPDQNMHLQM-UHFFFAOYSA-N 284.407 3.809 30 20 CHED N#CCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 485859060 LUVLSJLCQIRORH-GVDBMIGSSA-N 254.377 3.558 30 20 CHED C[C@@](C#N)(NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 577292632 KABFUSWCTCRXLV-AFIMGQEJSA-N 288.435 3.791 30 20 CHED COCC(=NNc1ccccc1)c1ccc(Cl)cc1 814684344 OKOUSBVMWQTBJT-UHFFFAOYSA-N 274.751 3.803 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCC(=O)N1CCCCCC1 657862126 CKBKMEFGFPQANZ-IRXDYDNUSA-N 292.467 3.504 30 20 CHED C=CCCCCCCCNC(=O)c1ccncc1Cl 810765490 BBYUXLYMDFUCJL-UHFFFAOYSA-N 280.799 3.991 30 20 CHED CN(C(=O)c1cccc2c1CCCC2)c1cccc(C#N)c1 578292066 SNQTVBKBLYKLPU-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C[C@H](C=NNc1ncccc1[N+](=O)[O-])C1CCCCC1 814870463 CWZSBOFIKAJLEQ-LLVKDONJSA-N 276.340 3.604 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](COC)c1cccc(OC)c1 658165132 PSPVISAOZMZBEH-GRDNDAEWSA-N 277.408 3.573 30 20 CHED COCCC(C)=NN[C@H](C)c1ccc(C(C)C)cc1 814811786 UJINPLTYIBZINT-CQSZACIVSA-N 262.397 3.873 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1ccncc1 726428557 DJAYNVSVKMWVDZ-UHFFFAOYSA-N 277.274 3.519 30 20 CHED C=CCC[C@H](O)CNC(C)(C)c1ccc(OCCC)cc1 483280394 JTGFXSXOQSIESB-INIZCTEOSA-N 291.435 3.627 30 20 CHED CCn1c(C)cc(C=NN[C@H](C)COc2ccccc2)c1C 811664697 HDECZETYNLWLBX-CQSZACIVSA-N 299.418 3.516 30 20 CHED C=CCN(C(=O)N[C@H]1CCc2c(C)cccc21)C(C)C 729621058 BPWLICSXNJJSLF-INIZCTEOSA-N 272.392 3.588 30 20 CHED Cc1ccccc1-c1cnc(CSCCC#N)o1 579566065 NBTDNLYHQPEBGA-UHFFFAOYSA-N 258.346 3.797 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 573895343 WMGRYQBQGZSYMN-HYVNUMGLSA-N 276.424 3.647 30 20 CHED C=C(CNC(=O)N[C@H]1CCCC1(C)C)c1ccccc1 499110727 KJQGQDOWWSVVDU-HNNXBMFYSA-N 272.392 3.578 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)N(C)CC(C)(C)C#N 497394941 ZYBRXVHAVUTQOX-INIZCTEOSA-N 286.419 3.509 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)OC1(C#N)CCC1 820227672 SYSMNVYWZDASPP-CQSZACIVSA-N 271.360 3.553 30 20 CHED C=CCC[C@@H](CC)NC[C@]1(C)CC1(Cl)Cl 824774794 VGPUQQTZUBHHCM-MNOVXSKESA-N 250.213 3.905 30 20 CHED CON=C(C)c1sc(-c2ccc(C)cc2)nc1C 727651422 XYZNCAWPWAGTLZ-UHFFFAOYSA-N 260.362 3.797 30 20 CHED COc1ccsc1C(=O)/C=C\c1cccc(C#N)c1 588488975 BGQCKTDMTUMWCZ-WAYWQWQTSA-N 269.325 3.524 30 20 CHED CC(C)C[C@H](C)OC(=O)CSCc1ccc(C#N)cc1 729079606 BHZMWXRIZOKPHE-ZDUSSCGKSA-N 291.416 3.769 30 20 CHED CCn1c(C)cc(C=NNc2nncc3ccccc23)c1C 728225382 POKMINULFOKTKS-UHFFFAOYSA-N 293.374 3.514 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1 822432772 LZHAAFNHDLRESS-DOTOQJQBSA-N 299.414 3.739 30 20 CHED C=CCCC[C@H](NCc1cc(C)cc(Cl)c1)C(=O)O 900068364 GIMYYTYYPKCFEZ-AWEZNQCLSA-N 281.783 3.548 30 20 CHED C=CC[C@H]1CCCN(c2nc3ccccc3cc2CO)C1 664253127 IDJUWAJUEBTROP-AWEZNQCLSA-N 282.387 3.520 30 20 CHED N#Cc1c(Cl)nsc1NC[C@@H]1CCCC1(F)F 828858095 OJVCUAJIXNMDSJ-LURJTMIESA-N 277.727 3.515 30 20 CHED CC1(C)CC[C@@H](Nc2nccc(C#N)n2)c2ccccc21 582945406 DVSCAYOWAHNEJL-OAHLLOKOSA-N 278.359 3.573 30 20 CHED COc1cc(C(=O)/C=C\c2ccc3ccccc3c2)on1 821022068 NRHIVTLZVOVBBF-CLFYSBASSA-N 279.295 3.733 30 20 CHED CC(CC1CCOCC1)=NNc1c(F)cc(F)cc1F 901320462 PGNUAXGHMQGMHN-UHFFFAOYSA-N 286.297 3.708 30 20 CHED Cc1nn(C)c(/C=C2\CCCC(C)(C)C2=O)c1Cl 901483827 XLECKSYOUFWMKO-CSKARUKUSA-N 266.772 3.545 30 20 CHED CC(C)(CCC#N)CNC(=O)C1(C2CCCCC2)CC1 908211694 ABJABYQBALATAY-UHFFFAOYSA-N 276.424 3.793 30 20 CHED C=CCC(F)(F)c1nc(CCCc2ccccc2)no1 581552983 WXUICFAFNHPKFS-UHFFFAOYSA-N 278.302 3.913 30 20 CHED N#C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CCC[C@H]2C1 585719626 FUBKDYPESAVUGI-KCQAQPDRSA-N 260.768 3.637 30 20 CHED Cc1ccc(/C=C\C(=O)c2cn(C(C)C)nn2)cc1Cl 901523653 BXZBKEJWWHIOPH-SREVYHEPSA-N 289.766 3.717 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(F)c1F 665885662 NHCGIMJNAPAHTG-UHFFFAOYSA-N 268.307 3.831 30 20 CHED C=CCCOCC(=O)N[C@H](CC1CCC1)c1ccccc1 679205127 BWDQEMQPWRAGPY-QGZVFWFLSA-N 287.403 3.627 30 20 CHED CS[C@H](C)CCOC(=O)c1ccc(C(C)(C)C#N)cc1 835665563 GBOAYJOFLDEKBY-GFCCVEGCSA-N 291.416 3.786 30 20 CHED O=C(O)c1cccc(NN=C2CCCC23CCC3)c1 834916345 ZWNVFUIAABEXRT-UHFFFAOYSA-N 258.321 3.507 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1NC(C)(C)C 837577207 WCUAHQWGNPLXOC-UHFFFAOYSA-N 272.392 3.885 30 20 CHED C=C(CNC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 588172468 OLSAABQDPLJXGW-UHFFFAOYSA-N 296.757 3.655 30 20 CHED CN(CCC#N)c1ccc(CN2CC(C3CCCC3)C2)cc1 839144952 WETFNVCGPFWRJK-UHFFFAOYSA-N 297.446 3.658 30 20 CHED C#CCCCC(=O)N(CC(C)C)c1ccc(C)cc1 837069958 VYFDPNJCVGDGRI-UHFFFAOYSA-N 257.377 3.788 30 20 CHED Cc1nc(C#N)c(NN=C2CCC[C@@H]2Cc2ccccc2)o1 735614246 RBCVWSLZYIIYPS-CQSZACIVSA-N 294.358 3.665 30 20 CHED N#CCOc1ccc(CNCc2ccc(C3CC3)cc2)cc1 838943213 YHKQTJGVCHPARV-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CC(C)(C)n1cc(/C=C\C(=O)c2cccc(C3CC3)c2)nn1 834444877 UVIAUXOMQRHKMQ-KTKRTIGZSA-N 295.386 3.807 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2c(F)cccc21 583189890 GCUPGZFTZBQDGK-UHFFFAOYSA-N 261.340 3.707 30 20 CHED C[C@@H](Cc1cccs1)N[C@@H]1CCc2ccc(C#N)cc21 581183529 FHCABIDUOPHWQB-YVEFUNNKSA-N 282.412 3.828 30 20 CHED Cc1cc(C=NNc2ccccc2)c(C)n1C[C@@H]1CCCO1 916247222 JPLCAHILUJXEOR-SFHVURJKSA-N 297.402 3.730 30 20 CHED Oc1ccccc1/C=N\Cc1ccc(OC(F)F)cc1 839387666 RQLUZXDJVGVMJB-ZDLGFXPLSA-N 277.270 3.613 30 20 CHED O=C(CC1CC(F)(F)C1)OCC#Cc1cccc(Cl)c1 838263408 MAJOMCYEBNTBQO-UHFFFAOYSA-N 298.716 3.670 30 20 CHED Cc1ccccc1[C@@H](C)NCCc1ccc(C#N)cc1 594709211 FXGDAEBPCJUUTA-OAHLLOKOSA-N 264.372 3.760 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccccc2OCC)c1 834903398 PGNORXKEJSWDJE-OAHLLOKOSA-N 279.383 3.917 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1nc(C)cc(O)n1 915931816 HLRAFYOWWQYIGC-UHFFFAOYSA-N 298.390 3.646 30 20 CHED C#CCCCCCC=NNc1ncnc2sccc12 834934909 KUNYOXGGLBDNBD-UHFFFAOYSA-N 272.377 3.673 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C23CC4CC(CC(C4)C2)C3)C1 839060143 ZCKFGMDGELMYID-HANOVZDXSA-N 287.403 3.828 30 20 CHED CCCCCCCOC(=O)c1scnc1Cl 919415405 QJTLMRFDRHCODW-UHFFFAOYSA-N 261.774 3.924 30 20 CHED C=CC[C@@H](C(=O)OCc1nc(C)oc1C)c1ccccc1 841337934 HOPFEVCKAXQJPF-OAHLLOKOSA-N 285.343 3.695 30 20 CHED N#Cc1ccc(CCN2CCC[C@@H]2c2ccccc2)cc1 595288417 IBTOXSXLBVFOJF-LJQANCHMSA-N 276.383 3.938 30 20 CHED CC[C@H](C#N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 593616733 OBGXKSPSCLMVBN-GFCCVEGCSA-N 290.794 3.596 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2ccc(F)cn2)cc1 747631798 XPNODWMINVQAIO-NSHDSACASA-N 287.338 3.821 30 20 CHED C/C(=C\C(=O)OCc1cccc(C#N)c1)C(C)(C)C 744118672 FKCTYPULPNBGCU-XYOKQWHBSA-N 257.333 3.594 30 20 CHED Cc1ccccc1O[C@@H](C)C/N=C/c1ccccc1O 741843035 IJYRONZDJBMYFN-QCUKBLKESA-N 269.344 3.587 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1cc2cc(Cl)ccc2s1 596896181 WBXOKNNYXWUXMZ-VIFPVBQESA-N 292.791 3.786 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@H](C)C[C@@H](C)C2)n1 747763473 GJWKEEUOONFASA-RKDXNWHRSA-N 266.776 3.662 30 20 CHED C=C(CC)CNC(=S)Nc1cccc(Cl)c1 840826591 PFMAGDZXGDOHJX-UHFFFAOYSA-N 254.786 3.593 30 20 CHED C#CCCCNC(=O)N(CC)Cc1ccc2ccccc2c1 745901472 JITPHERCQXNSJF-UHFFFAOYSA-N 294.398 3.785 30 20 CHED Cc1ccc(-c2nnc([C@@H](C)ON=C3CCC3)o2)cc1 748100616 VSYIVPWWLPONGV-LLVKDONJSA-N 271.320 3.663 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2ccc(C#N)o2)cc1 743439515 ZJXPNOABNVVDAW-CYBMUJFWSA-N 281.359 3.959 30 20 CHED CCC(=NNc1ccc(Cl)c(F)c1)[C@@H]1CCOC1 747634950 DDCYSYIYWHXWCZ-SECBINFHSA-N 270.735 3.694 30 20 CHED C=CCN(Cc1ccc(F)c(Br)c1)C(C)C 917405368 NKOMHZYVQMRJIG-UHFFFAOYSA-N 286.188 3.985 30 20 CHED CC(=NNc1ccccn1)c1nc2ccccc2s1 917568231 UBYGQQKQRRDXSG-UHFFFAOYSA-N 268.345 3.527 30 20 CHED CCCC[C@@H](CC)CNC(=O)N1CCC[C@H](CC#N)C1 595435569 QNQIQKQIEXAPOQ-HUUCEWRRSA-N 279.428 3.538 30 20 CHED CC(C)(C#N)C[C@@H](O)CSc1ccc(C#N)cc1Cl 598702888 ZHBBMBMJVYLBFJ-LLVKDONJSA-N 294.807 3.605 30 20 CHED CC/C(=C\C(=O)N(CC)C[C@@H](C)C#N)c1ccc(C)cc1 741671673 NNOMXXBYDSHHEC-KFXIKWRMSA-N 284.403 3.797 30 20 CHED COc1ccc(-c2ccc(CC(C)(C)O)cc2)cc1C#N 596635588 FQQZOSRHQBTKNT-UHFFFAOYSA-N 281.355 3.547 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C2CCC2)C1 591063355 RFUFIWXXLHQSTH-SUMWQHHRSA-N 254.377 3.741 30 20 CHED CC(Cc1nc2ccccc2s1)=NOCC(C)C 749625858 IVNAWXYJSCUITA-UHFFFAOYSA-N 262.378 3.887 30 20 CHED CO[C@H](CNc1ccccc1O[C@@H](C)C#N)c1ccccc1 841703449 VSZSATWKNCILKI-KBXCAEBGSA-N 296.370 3.777 30 20 CHED C=C(C)COC(=O)c1cc(Cl)ccc1OC(F)F 748918260 QMDOUKAEXREALV-UHFFFAOYSA-N 276.666 3.674 30 20 CHED O=C(NCC#Cc1ccccc1)NCC1CCCCCCC1 918005701 IJNOLIPMXOYKAZ-UHFFFAOYSA-N 298.430 3.698 30 20 CHED Cc1cc(O)c(CN(C)CC(C)(C)C#N)cc1C(C)C 840072601 HNKHPRLHJKPDME-UHFFFAOYSA-N 274.408 3.806 30 20 CHED CO[C@@H](C=NNc1ccc(C(F)(F)F)cn1)CC(C)C 841605111 WMRBLISYZLDHPF-LLVKDONJSA-N 289.301 3.559 30 20 CHED C[C@@H](C(=O)OCC1(CC#N)CC1)c1ccc(Cl)cc1 845475669 HQIAQMWPPDYTHZ-LLVKDONJSA-N 277.751 3.681 30 20 CHED N#CCC1(CNc2ccccc2N2CCCCC2)CC1 594698592 CYMBJSMEWKRDDJ-UHFFFAOYSA-N 269.392 3.783 30 20 CHED N#C[C@H](c1ccccc1)N1CCC(c2ccc(O)cc2)CC1 595289257 OODFMWUGRIMMKI-LJQANCHMSA-N 292.382 3.836 30 20 CHED C=C[C@H](C)ONC(=O)c1ccc(C(F)(F)F)cc1Cl 846548701 LHVZOQSNWWLWPF-ZETCQYMHSA-N 293.672 3.595 30 20 CHED Cc1ccc([C@@H](C)NCC(C)(C)CC#N)c(O)c1C 840788275 XQPQOCFTNNNBEQ-CYBMUJFWSA-N 260.381 3.600 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCc2ccccc21 685550320 ZFCPRILHCYHPHS-UHFFFAOYSA-N 294.402 3.816 30 20 CHED C#CCOc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)CC)cc1 741570935 UDUVCTVKZUHVNG-QAPCUYQASA-N 299.414 3.739 30 20 CHED CCC(CC)c1noc(-c2cc(C#N)ccc2C)n1 923883098 VFPRWAJXIOBWER-UHFFFAOYSA-N 255.321 3.820 30 20 CHED O=C1/C(=C/c2ccnn2CC2CC2)CCc2cc(F)ccc21 849244480 CFBKBZACDKCKQC-GXDHUFHOSA-N 296.345 3.645 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1CCC(C2CC2)CC1 840304479 LXJXHWYJHHDRKO-UHFFFAOYSA-N 295.308 3.598 30 20 CHED Fc1cc(F)cc(NN=C2CCc3c(F)cccc32)c1 921259986 MRUKPBLRIUNSCG-UHFFFAOYSA-N 276.261 3.866 30 20 CHED C=C(C)CCOC(=O)Cc1ccc(SCC)cc1 752508310 DMCUPKWRYOLGLL-UHFFFAOYSA-N 264.390 3.851 30 20 CHED CCc1ccc(CCC=NNc2nc(C)cc(C)n2)cc1 758070953 XFBRMOSLKDLNAW-UHFFFAOYSA-N 282.391 3.686 30 20 CHED C(=NOCc1ccccc1)[C@H]1CCOc2ccccc21 752160500 JZPCCHDJGHADDI-OAHLLOKOSA-N 267.328 3.755 30 20 CHED CCc1cnccc1[C@@H](C)N[C@H](C)CC(C)(C)C#N 925685188 KRYQBXXWQVADAE-CHWSQXEVSA-N 259.397 3.623 30 20 CHED C#C[C@@](C)(CC)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 854703784 DJXFPDQNBNNMEV-NHYWBVRUSA-N 297.320 3.727 30 20 CHED N#Cc1ccc(CN(c2nc(Cl)cs2)C2CC2)cc1 858369441 VCCCJBHBBFASDB-UHFFFAOYSA-N 289.791 3.837 30 20 CHED C[C@H](c1ccccc1)N1CC[C@@H](/N=C/c2ccccc2O)C1 920174988 SDGTWQSRTZUIBQ-AGRXVMOLSA-N 294.398 3.647 30 20 CHED Cc1ccsc1C(=O)O[C@@H](C)CC(C)(C)C#N 851213994 MQESKTDLJWIRAM-JTQLQIEISA-N 251.351 3.542 30 20 CHED N#CCOc1ccc(CN2CC[C@H]2c2ccc(F)cc2)cc1 852469094 YIUWRXMIZCJHJQ-SFHVURJKSA-N 296.345 3.675 30 20 CHED CCCC1CCC(C=Nn2c(C)cc(C)c(C#N)c2=O)CC1 755607084 ROJCCZHFTKPZQL-UHFFFAOYSA-N 299.418 3.777 30 20 CHED C=CCC1(NCc2ccc(OCC)cc2O)CCCC1 850388506 NGHIIHOTFXWRQN-UHFFFAOYSA-N 275.392 3.769 30 20 CHED CCCCCCCCC(=O)N=[S@@](C)(=O)C(C)C 926072404 XDSPERZHJJTZKV-KRWDZBQOSA-N 261.431 3.770 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCc1cnc(C)s1 850447135 HIWDADLLZBBGFO-DZGCQCFKSA-N 264.438 3.719 30 20 CHED CCCC[C@H](C(=O)Oc1cccc(OCC#N)c1)C(C)C 857034373 DSQRJHBZNBQJQP-INIZCTEOSA-N 289.375 3.957 30 20 CHED CCOc1ccc(C=Nc2ccc(C)c(F)c2)c(O)c1 920942729 CISUVLMAJHLIRF-UHFFFAOYSA-N 273.307 3.989 30 20 CHED C1CC(C2CCC(=NOC3CCOCC3)CC2)C1 853334868 SSXPABXJUUBKEI-UHFFFAOYSA-N 251.370 3.528 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCO[C@H](c2ccccc2)C1 932066454 DNJUBQPCZKLVPI-WBVHZDCISA-N 287.403 3.579 30 20 CHED Cc1cccc(OC(=O)CC2(C#N)CCCCC2)c1F 850934039 AFXXUCVWHCUHLT-UHFFFAOYSA-N 275.323 3.904 30 20 CHED CC(F)(F)CCC(=O)OCCCCC(C)(C)C#N 768598390 ZIIPGVJEHZKQMT-UHFFFAOYSA-N 261.312 3.685 30 20 CHED C=CC[C@@H](NC(=O)N[C@H]1CCC(C)(C)C1)c1ccncc1 768944229 HPEDGERIFOCMCD-LSDHHAIUSA-N 287.407 3.577 30 20 CHED C#CCN(CC)C(=O)c1cc(Cl)ccc1SCC 764209820 NVDBFGSRQXCSLU-UHFFFAOYSA-N 281.808 3.547 30 20 CHED Cn1cccc1C=NNc1c(Cl)cccc1Cl 763178437 DDPDWNKGBMBCDK-UHFFFAOYSA-N 268.147 3.778 30 20 CHED CCCCCCCOc1cccc(CN2CC[C@H](O)C2)c1 768408632 CLSCJZHEQBBIPZ-KRWDZBQOSA-N 291.435 3.602 30 20 CHED C#CCCCCNC(=O)N1CCc2ccccc2[C@@H]1C(C)C 764359630 LWNOXIWBFCQAAM-SFHVURJKSA-N 298.430 3.755 30 20 CHED C=CCN(C(=O)N[C@H]1c2ccccc2CC[C@@H]1C)C(C)C 763093407 XQJYUTKCWMRYHH-WMLDXEAASA-N 286.419 3.916 30 20 CHED CCCCCC(C)(C)C(=O)OCC1(C#N)CCC1 768109671 JMZGELVHYHILEJ-UHFFFAOYSA-N 251.370 3.830 30 20 CHED O=C1CCCN1N=Cc1ccc(-c2ccc(F)cc2)s1 769593833 RBAFLXDNGOVDHD-UHFFFAOYSA-N 288.347 3.511 30 20 CHED CC1(C)OCc2cc(C=NNc3ccccc3)ccc2O1 766008250 DWTXLRGSRVPALE-UHFFFAOYSA-N 282.343 3.778 30 20 CHED C#CCCCCC(=O)O[C@@H]1CCOc2ccc(CC)cc21 765736616 DIYPTDDSZYOLRQ-QGZVFWFLSA-N 286.371 3.809 30 20 CHED Cc1ccc(N(C)Cc2cc(C#N)cs2)c(C)c1 761217972 ZFNSOHQJFYMSIJ-UHFFFAOYSA-N 256.374 3.873 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ccc(OCC#N)cc2)C1 1119629380 PVVXRHBBZPOWBL-HIFRSBDPSA-N 276.405 3.675 30 20 CHED C#CCOc1ccc(-c2nc(C(CC)CC)no2)cc1 762034275 QKUVULNVNQKFQS-UHFFFAOYSA-N 270.332 3.652 30 20 CHED CCn1nccc1/C=C1\C(=O)c2ccccc2[C@H]1C(C)C 766507679 WHKSSNBZMJBWSR-ZFOVBUMHSA-N 280.371 3.923 30 20 CHED C#CCC(C)(C)COC(=O)c1[nH]c(-c2ccccc2)nc1C 760266885 HQSLCSWBAZEIID-UHFFFAOYSA-N 296.370 3.591 30 20 CHED CC(=O)[C@H](C)CCON=C(c1ccccc1)C(F)(F)F 1118456755 IROUPCLICDXBTM-SNVBAGLBSA-N 287.281 3.585 30 20 CHED CC/C(C)=C(\C)C(=O)N(C)c1cc(Cl)ccc1C#N 779981292 MDKZRQXUVQLMMV-ZHACJKMWSA-N 276.767 3.921 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 878899558 TZBHQDMBEXDBTE-HNNXBMFYSA-N 289.394 3.819 30 20 CHED Cc1ccncc1CCC=NNc1cc(F)c(F)cc1F 776730607 WGZIVTOBORBWGA-UHFFFAOYSA-N 293.292 3.838 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccccc1N(C)C 773092936 HLEFKNWDLIUAGS-UHFFFAOYSA-N 297.406 3.502 30 20 CHED Cc1cccc(CCC(=O)OCc2cccc(C#N)c2F)c1 774896603 OKMGWSZLNYHBFJ-UHFFFAOYSA-N 297.329 3.682 30 20 CHED C#CCCCCCC(=O)NC[C@@]1(C)CCCc2ccccc21 779952296 YSILYDFRUYIXQY-HXUWFJFHSA-N 297.442 3.981 30 20 CHED Cc1ccc(Cc2nnc(-c3cccc(C#N)c3)o2)cc1C 1117261464 TXTOQAWEASXFQG-UHFFFAOYSA-N 289.338 3.816 30 20 CHED Cc1ncc(CCN[C@H]2CCCc3cc(C#N)ccc32)s1 775416153 VAGKBZZEMWTZQI-KRWDZBQOSA-N 297.427 3.533 30 20 CHED Clc1cc(Cl)cc(C=NOC2CCOCC2)c1 774454228 WUIFLHBEVOHGJF-UHFFFAOYSA-N 274.147 3.523 30 20 CHED C#CCCCN[C@@H](c1ccccc1OC)C1CCCC1 774444611 UINWGKTUFBVFCR-GOSISDBHSA-N 271.404 3.930 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1ccccc1Cl 771306756 HELBWYJGBFOWLO-UHFFFAOYSA-N 288.705 3.688 30 20 CHED C=C1CCC(C(=O)N2CCc3sccc3[C@H]2C)CC1 887861579 WHCBKWABUYLAII-GFCCVEGCSA-N 275.417 3.940 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(NC(C)=O)ccc1Cl 888318641 VVJCSIXWVFENEB-UHFFFAOYSA-N 294.782 3.839 30 20 CHED COc1ncc(C(C)=NOCc2ccccc2)cc1Cl 788974995 JWFDQNJWJBPNTE-UHFFFAOYSA-N 290.750 3.684 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1120716429 JBRKHDFCRDOFFA-WMLDXEAASA-N 287.403 3.961 30 20 CHED CC(C)[C@@H]1C[C@@H](CC(=O)OCCCC(C)(C)C#N)CCO1 784650678 XHIMJTATLGVOQE-GJZGRUSLSA-N 295.423 3.701 30 20 CHED C[C@@H](C=NN1Cc2ccccc2C1=O)CCc1ccccc1 781594643 DMSLGLDASHNBLW-OAHLLOKOSA-N 292.382 3.897 30 20 CHED C=C(C)CCC(=O)NCc1cc(C(CC)CC)no1 1120612710 TXOMZJWFTJYNNL-UHFFFAOYSA-N 264.369 3.551 30 20 CHED CC(C)C[C@H]1CCCC(=NNCCc2ccncc2)C1 789097714 SRUCIBLWDMUMPF-MRXNPFEDSA-N 273.424 3.806 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2F)CC[C@H]1C 1129715846 RSYDCPLXYLRGKK-NTZNESFSSA-N 274.339 3.708 30 20 CHED C#CCC1(C(=O)N(C)Cc2ccc(C)s2)CCCCC1 788201257 MIKFSXDISYKQHJ-UHFFFAOYSA-N 289.444 3.989 30 20 CHED C=CCC1(C(=O)N2CC[C@H](C(F)(F)F)C2)CCCC1 888023298 RPOKTPINTJIKBT-NSHDSACASA-N 275.314 3.534 30 20 CHED CCC1(C=NNc2cccc([N+](=O)[O-])c2C)CCOCC1 781121787 GWHWQGXTWGHKQB-UHFFFAOYSA-N 291.351 3.508 30 20 CHED C#CCC1(C(=O)N2CCC[C@H](C(C)C)C2)CCCCC1 788241212 BXZIVWFSEBCJAJ-INIZCTEOSA-N 275.436 3.855 30 20 CHED Cc1ccc(C(=O)N(c2ccccc2)C2CC2)cc1C#N 1128924779 MQHAOCRNEDWHHF-UHFFFAOYSA-N 276.339 3.676 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NO[C@@H]1CCCCO1 788721441 GHBRAEMJPPMBKM-MRXNPFEDSA-N 289.375 3.624 30 20 CHED C=CCCN(C)c1nc(C(F)(F)F)nc2ccccc12 786089838 HCHFNYXHTKDUEV-UHFFFAOYSA-N 281.281 3.661 30 20 CHED C=Cc1ccc(C(=O)OCc2ccc(F)c(C#N)c2)cc1 785620189 FLLYRFYEDSKQNE-UHFFFAOYSA-N 281.286 3.697 30 20 CHED N#CCCCNCc1ccccc1-c1ccccc1 784622266 XLFXYIRMYMKRPK-UHFFFAOYSA-N 250.345 3.747 30 20 CHED C/C(=C\C(=O)OCCCC(C)(C)C#N)C(C)(C)C 783926782 IDTGUDFMCOSCGL-ZRDIBKRKSA-N 251.370 3.852 30 20 CHED C=C1CN(C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)C1 898696250 SMEXQTAJKSWNMD-YRNVUSSQSA-N 281.277 3.507 30 20 CHED C=C1CCC(C(=O)Nc2ccc(OC)c(COC)c2)CC1 893158207 PGUHNQHPOOHNDK-UHFFFAOYSA-N 289.375 3.527 30 20 CHED FC(F)(F)c1cccnc1NN=C[C@@H]1CCCSC1 794897026 OTOWXLWFZQRSHA-VIFPVBQESA-N 289.326 3.641 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1 798672874 AOYOQJQRVGWZNQ-NSHDSACASA-N 299.292 3.898 30 20 CHED Cc1ccccc1CCCOC(=O)c1cc(C#N)oc1C 797886013 FQDRCLCTVYOQEW-UHFFFAOYSA-N 283.327 3.558 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C2CC(C)(C)C2)n1 797094047 OOFQOFVZERGSRN-NSHDSACASA-N 276.405 3.879 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 793542580 ROOIGCMMRFOGLX-ULQDDVLXSA-N 294.483 3.748 30 20 CHED C=CCOc1cccc(NC(=O)CCCOC(C)(C)C)c1 795523861 ABJQCVPDBUJDFS-UHFFFAOYSA-N 291.391 3.785 30 20 CHED O=C(/C=C/c1ccsc1Cl)c1cscn1 790224774 FSCFJEMSAXUUDN-OWOJBTEDSA-N 255.751 3.754 30 20 CHED CC[C@@H](C)CON=Cc1ccc(OC)c(OC(F)F)c1 793146720 VABADPZABGOBTG-SNVBAGLBSA-N 287.306 3.693 30 20 CHED N#Cc1cccc(COC(=O)Cc2coc3ccccc23)c1 797000530 JYRNPHNVSMYKCR-UHFFFAOYSA-N 291.306 3.590 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H](F)CC2CCCCC2)C1 793515383 MUFPWHOKDSSKNB-KMFMINBZSA-N 294.414 3.884 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(OCC3CC3)cc2)C1 799722925 SJMMBKVJIMJQOQ-DZGCQCFKSA-N 256.349 3.580 30 20 CHED CCCCC[C@H](C)NC(=O)Nc1ccc(CC#N)cc1 76085367 IXYLVGSQZUEABH-ZDUSSCGKSA-N 273.380 3.843 30 20 CHED COc1c(Cl)cccc1NC(=O)C1(C#N)CCCCC1 98115187 UYNGJYYTMBRCIY-UHFFFAOYSA-N 292.766 3.761 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)Nc2sccc2C#N)C1 1310956869 RKJMADWENASFMK-LLVKDONJSA-N 291.420 3.910 30 20 CHED CCN(CCC#N)C(=O)c1ccc(-c2ccccc2)s1 1319483563 VSVOAUQAACVTQG-UHFFFAOYSA-N 284.384 3.791 30 20 CHED N#Cc1cccc(-c2nnc(-c3cnc(C4CC4)s3)o2)c1 1322411162 BSPOMVBTAPYWCZ-UHFFFAOYSA-N 294.339 3.609 30 20 CHED CC(C)(C)SCCCOC(=O)c1csc(C#N)c1 1329455998 XRAUBYJDQDJZDA-UHFFFAOYSA-N 283.418 3.698 30 20 CHED N#Cc1ccc(COC(=O)C[C@H]2CCc3ccccc32)s1 1327197060 LSZNCUFTZNZLFG-CYBMUJFWSA-N 297.379 3.783 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccccc1SC 189905110 FUGDIBBZWIULCK-UHFFFAOYSA-N 290.432 3.953 30 20 CHED CCC[C@H]1C[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)CCO1 1327796425 PYHIHKPTFWHARI-GJZGRUSLSA-N 297.358 3.671 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1ccc2c(c1)CCC2 1327030487 BMZHDFCBYNPNQB-PKNBQFBNSA-N 273.335 3.943 30 20 CHED CC(C(=O)OCc1ccc(C#N)s1)=C1CCCC1 1332974358 ANQFFXBJGSUXCQ-UHFFFAOYSA-N 261.346 3.553 30 20 CHED CCCCCCCN1CCN(C2CCCCC2)CC1 766141043 FTBQOWJNUYTNAZ-UHFFFAOYSA-N 266.473 3.907 30 20 CHED CC(C)(C)c1nnc(-c2cc(C#N)ccc2Cl)o1 1330091861 DRDSISXGROQUGL-UHFFFAOYSA-N 261.712 3.559 30 20 CHED C=C(C)CCC(=O)NCc1ccc(N2CCCCC2)cc1 1337188173 AJPULALPEXFDHT-UHFFFAOYSA-N 286.419 3.649 30 20 CHED C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ccsc1 1340074446 TTZPDOTUQJHSSM-LBPRGKRZSA-N 296.395 3.529 30 20 CHED CCN(C(=O)c1csc(C#N)c1)[C@@H]1CCCC[C@H]1C 1348086568 HROUJOGSHOYNAU-BXUZGUMPSA-N 276.405 3.661 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C2[C@H]3CCCCCC[C@H]23)C1 1436649078 LCUMGDJPUNFQDH-QPSCCSFWSA-N 275.392 3.828 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(OC)c(F)c1 1517465295 DFABXOOMULZXRY-CYBMUJFWSA-N 292.354 3.797 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)C[C@H](C)COC)c1cccs1 1519366477 NFVKENGBHXXSSA-ZOWXZIJZSA-N 295.404 3.555 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@](C)(CC)C(F)(F)F 1517812242 RZKNNFYSEIMFGG-WCQYABFASA-N 292.345 3.858 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2F)s1 1528047591 MDOOBWCFOFJSPG-UHFFFAOYSA-N 274.320 3.628 30 20 CHED COc1ccc(CN2CCCc3cc(C#N)ccc32)cc1 1460172417 QUGPFBCLUBFCEU-UHFFFAOYSA-N 278.355 3.520 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)[C@H]1CC1(C)C 1460262200 IFLXKZCXXCIKBO-CVEARBPZSA-N 256.393 3.515 30 20 CHED O=C(O)CC1CC(=NNc2c(Cl)cccc2Cl)C1 1608690697 WUAGIEVEUVDXKT-UHFFFAOYSA-N 287.146 3.646 30 20 CHED Cc1cc(C(=O)O)ccc1[C@H](C)NCC(C)(C)CCC#N 1600116231 JBRVZTZWNAPEDB-ZDUSSCGKSA-N 288.391 3.674 30 20 CHED N#Cc1cc(=N[C@H](CC2CCC2)c2ccccc2)cc[nH]1 1472747656 YVHPMPDGUZJGCN-GOSISDBHSA-N 277.371 3.719 30 20 CHED Cc1nc(C#N)cc(NC(CC(C)C)CC(C)C)n1 1639440639 SVZKPZWNNHSVAR-UHFFFAOYSA-N 260.385 3.529 30 20 CHED CC(C)(C)[C@H]1CSCCN1Cc1ccc(F)c(C#N)c1 1644305046 GQBPIYCDJVPJEC-OAHLLOKOSA-N 292.423 3.661 30 20 CHED CCCN(C[C@H](C)CCC#N)[C@@H]1C[C@@H](OCC)C1(C)C 1658251724 XIBZPGNMBQCDEJ-BZUAXINKSA-N 280.456 3.842 30 20 CHED C=CCCC[C@H](N[C@@H]1CC[C@H](C(=O)O)C1)c1ccccc1 1588797754 LIOFBNICDNZCER-BBWFWOEESA-N 287.403 3.927 30 20 CHED Cc1oc2ccc(NC(=O)c3ccc(C#N)n3C)cc2c1C 1585472957 GNBPBTYKIWOSKF-UHFFFAOYSA-N 293.326 3.512 30 20 CHED C=C(Br)CN[C@@](C)(CC)c1ccc(F)cc1 1654475456 SKSKNJQRPNATSW-ZDUSSCGKSA-N 286.188 3.949 30 20 CHED N#Cc1ccc(CNc2cccc(-c3cnco3)c2)cc1F 1657516982 USEYSGFEKKMACJ-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CCN(CCc1ccc(C#N)cc1)c1ccccc1 1652821909 LPISZOUTKKBZTN-UHFFFAOYSA-N 250.345 3.627 30 20 CHED C=CCCCCCCCN[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 1588798826 SADSDHXRMNKULW-XUWVNRHRSA-N 279.424 3.602 30 20 CHED COc1ccc2c(c1)[C@H](NCc1cc(C#N)cs1)CCC2 1657074521 JTNSIJFHOVXHSV-QGZVFWFLSA-N 298.411 3.796 30 20 CHED C[C@H]1C[C@@H](N2CCC[C@@H](C#N)C2)c2ccsc2S1 1659993020 NVHZQNVKMCKGNI-GMXVVIOVSA-N 278.446 3.909 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 1672775244 HSNVMFHFUFXVRI-AWEZNQCLSA-N 285.391 3.911 30 20 CHED C=C(Cl)Cn1c(CC2CC2)nnc1N(C)[C@@H](C)CCC 1760377822 OZDJLDZCZXOLQR-LBPRGKRZSA-N 296.846 3.608 30 20 CHED CC[C@]1(C)CCCC1=NNc1ccc(C(=O)O)c(F)c1 1776076010 RNUPSMWSXPGSNU-OAHLLOKOSA-N 278.327 3.892 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)c1csc(C)c1 1776063492 UHQFLQYZWPWPJL-UHFFFAOYSA-N 292.335 3.730 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc(C#N)c1 161220943 IOYPHHPNWLRVRL-GDBMZVCRSA-N 270.376 3.599 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 163441172 QSRQQYUSDJRIGC-CVEARBPZSA-N 281.440 3.765 30 20 CHED C=CCCSCC(=O)c1cc(C)n(C2CC2)c1C 151977547 JIWFMDNZYKTXRY-UHFFFAOYSA-N 263.406 3.932 30 20 CHED N#Cc1ccc(CCC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 155820553 RPJGKJBJYOBTGY-ROUUACIJSA-N 296.414 3.576 30 20 CHED C#CCCCCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 156432522 MADKLWXUPYYLEV-AFGAAMFOSA-N 287.447 3.903 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2cccs2)cc1 156502184 LULPDLAVPJCBQA-CYBMUJFWSA-N 271.385 3.611 30 20 CHED CC[C@@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 154554792 NVNUJRUGCATFGP-OAHLLOKOSA-N 296.418 3.694 30 20 CHED C=CCCCCCN(C)C(=O)c1cncn1-c1ccccc1 156832624 DJJLVMMYTIAGSM-UHFFFAOYSA-N 297.402 3.691 30 20 CHED C#CCNc1ccc(C)c(Oc2cc(C)ccn2)c1 154949148 AXTSZGAHQLQHKW-UHFFFAOYSA-N 252.317 3.536 30 20 CHED C[C@@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)CC1 1655382955 YRRLMKKYIYPAMV-PWSUYJOCSA-N 263.772 3.987 30 20 CHED CC[C@@H]1CCN(c2nc(C)c(C#N)cc2Cl)[C@H]1C 1655393056 VMALMEXRYWEMTP-WDEREUQCSA-N 263.772 3.540 30 20 CHED C#Cc1ccc(CNC[C@@H]2CCCC(F)(F)C2)cc1 809661825 QEUFKWOTBXRVRS-OAHLLOKOSA-N 263.331 3.583 30 20 CHED COc1ccc(C#N)cc1NCc1cc(C)nc(Cl)c1 1256434146 JQYRMGJFYCQQBR-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C#CCCCCC(=O)N[C@H](CC)c1ccc(C)cc1 119493696 QWWDSVNITGWJTE-MRXNPFEDSA-N 257.377 3.756 30 20 CHED C=CC[C@H](C)NCc1cc(F)ccc1Br 121601755 UWEOZDFJJUGQNY-VIFPVBQESA-N 272.161 3.642 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1cc(Cl)ccc1C#N 122776429 DRFLWLXSZUFHTN-MFKMUULPSA-N 264.756 3.581 30 20 CHED N#Cc1ccc(F)cc1CN(Cc1ccccc1)C1CC1 345889596 KOQLVONBBGCGJG-UHFFFAOYSA-N 280.346 3.862 30 20 CHED N#Cc1cccc(CN[C@H]2CCCc3sccc32)c1 61328213 CTWRWUMPRCIYBP-HNNXBMFYSA-N 268.385 3.787 30 20 CHED CC(=O)Nc1ccc(SCC2(C#N)CCCC2)cc1 405150879 FAQMLQJFGCVXHN-UHFFFAOYSA-N 274.389 3.821 30 20 CHED Cc1ccc(C[C@@H](C)NCc2ccc(C#N)cc2)s1 78003644 SGTRKCDGOIRCOX-GFCCVEGCSA-N 270.401 3.649 30 20 CHED O=C1CCC(/C(O)=N/Cc2nc3ccccc3s2)CC1 329845666 QKILDIDKIUECTG-UHFFFAOYSA-N 288.372 3.512 30 20 CHED N#Cc1ccc(NCc2cnc(C(F)(F)F)s2)cc1 446967732 UFPPKUHCPHMOQQ-UHFFFAOYSA-N 283.278 3.646 30 20 CHED C=CCC(C)(C)CNCc1csc(C2CC2)n1 339417083 QVPBALSYYYFXJF-UHFFFAOYSA-N 250.411 3.712 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCc1ccc(C)cn1 658030982 IGVPRSPFGSMXGO-WBVHZDCISA-N 258.409 3.657 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1CCC2(CCCCC2)O1 359804805 RKAZDERHJKSDNE-HNNXBMFYSA-N 278.440 3.788 30 20 CHED CC(C)(C#N)CCCOc1cccc(C=O)c1Cl 385621064 QGDYDVAFCIQEQE-UHFFFAOYSA-N 265.740 3.861 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc2sccc2c1 386162528 LGNFFBBFDSRHKQ-UHFFFAOYSA-N 286.400 3.913 30 20 CHED C=CCSCCN[C@H](C)[C@H]1CC2CCC1CC2 394212490 BURWLYKNWJBEPY-XSCHDIRWSA-N 253.455 3.710 30 20 CHED CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 452037136 UHKDQJBCDCAUOA-IAOVAPTHSA-N 272.392 3.557 30 20 CHED N#Cc1ccc(CSc2nccn2C2CC2)c(F)c1 12647180 UGGXZYHQXLZJSW-UHFFFAOYSA-N 273.336 3.521 30 20 CHED CC1(C)Oc2ccc(NCc3ccc(C#N)cc3)cc2O1 36933819 ZSBTWMBRUXTZBJ-UHFFFAOYSA-N 280.327 3.678 30 20 CHED N#Cc1ccc(NCc2cccnc2)cc1C(F)(F)F 37306430 PEXXLWKBFUTWKQ-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Nc1cccc(C#N)c1 43329409 JFRJXNZYGYTVQW-CYBMUJFWSA-N 279.343 3.783 30 20 CHED N#Cc1ccc(NC(=O)NCCC2=CCCCC2)cc1 45026980 FAPBKDYSHNFHEQ-UHFFFAOYSA-N 269.348 3.570 30 20 CHED N#Cc1cccc(OCc2csc(-c3ccco3)n2)c1 48412594 DVODFEINBHONEQ-UHFFFAOYSA-N 282.324 3.854 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)c2ccc(C)cc2)c1 48627736 AVCDLKVJQYVKSA-NCUBORBFSA-N 269.344 3.889 30 20 CHED N#CCSc1nc2ccccc2n1-c1ccc(F)cc1 49372732 INHUBQUTSWAPQU-UHFFFAOYSA-N 283.331 3.780 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1sccc1C#N 52029733 ZFWWWVCYWWRTCL-UHFFFAOYSA-N 264.394 3.564 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(C#N)c2)o1 53163058 GKXAVEFYOGDMPJ-WBMJQRKESA-N 294.354 3.846 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc(C(F)(F)F)cc1 55206919 CTJKBFBSCXCVBV-UHFFFAOYSA-N 285.309 3.673 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)C1 56817205 VZIQNTOIEHSYPQ-HOCLYGCPSA-N 299.418 3.526 30 20 CHED CCN(CC)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1 57379922 DNXUHQDWUQVXIJ-UHFFFAOYSA-N 299.418 3.945 30 20 CHED N#Cc1c(F)cccc1Sc1nnc(-c2ccccc2)o1 60991562 MOGCGJKNSLMYTB-UHFFFAOYSA-N 297.314 3.899 30 20 CHED COc1ccccc1C(C)(C)CNCc1cccc(C#N)c1 63319983 UDDQOUNJLLJMNY-UHFFFAOYSA-N 294.398 3.634 30 20 CHED C[C@H](SCC#N)c1ccc(OC(F)(F)F)cc1 65280424 FWRADRLWWIFZSB-QMMMGPOBSA-N 261.268 3.903 30 20 CHED CC(C)C[C@@H](C)CC(=O)N(CCC#N)Cc1ccco1 67922696 CFVYQRCPUGVFME-CQSZACIVSA-N 276.380 3.594 30 20 CHED C#CCN(Cc1nnc(-c2ccccc2)o1)C1CCCCC1 68334511 KQWOBHOYMQKKFD-UHFFFAOYSA-N 295.386 3.505 30 20 CHED CC(C)c1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 70158513 VZPUKFUIKMXVAJ-UHFFFAOYSA-N 278.355 3.863 30 20 CHED C=CCc1ccc(OC(=O)Cc2cccs2)c(OC)c1 70730546 MQZDTQOMUJYTTE-UHFFFAOYSA-N 288.368 3.633 30 20 CHED C=CCN(C(=O)c1ccncc1Cl)c1ccccc1 75082777 GRCFVQOEONRAFS-UHFFFAOYSA-N 272.735 3.568 30 20 CHED C=CCNC(=O)c1ccccc1NCc1ccccc1C 78719114 PZAQIJQXNFKOEH-UHFFFAOYSA-N 280.371 3.523 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1SCCc2sccc21 79512836 SMOKDHXDTYTVOC-ZDUSSCGKSA-N 281.446 3.503 30 20 CHED CC[C@H]1CN(C(=O)C2(C#N)CCC2)CC[C@@H]1c1ccccc1 80450786 ZJLYFBPAGIFFKA-RDJZCZTQSA-N 296.414 3.723 30 20 CHED N#CCOc1cccc(N[C@H]2CCC[C@H](C3CC3)C2)c1 81633311 CUYGNKQVMSAXFN-GJZGRUSLSA-N 270.376 3.970 30 20 CHED Cc1sc(NC(=O)OC(C)(C)C)c(C#N)c1C 83502269 JEJIZSRJIFEQFH-UHFFFAOYSA-N 252.339 3.584 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 84710978 AEUDSSBHXLCYTM-GWCFXTLKSA-N 299.292 3.729 30 20 CHED CC(C)(C#N)CCC[S@](=O)c1cccc(Cl)c1 87611138 FQPKXLHFCFKWNY-QGZVFWFLSA-N 269.797 3.778 30 20 CHED Cc1cccc(Oc2snc(Cl)c2C#N)c1[N+](=O)[O-] 92688613 QLKNVRAGJFXSTG-UHFFFAOYSA-N 295.707 3.677 30 20 CHED CCCCOCCCNc1ccc2cc(C#N)ccc2n1 92885800 QFLDFKKESXSGOX-UHFFFAOYSA-N 283.375 3.725 30 20 CHED CCCN(CC#N)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 92891483 PODWGZAQAJBGNH-ZDUSSCGKSA-N 292.810 3.671 30 20 CHED CC(C)(C)CN(CC(F)(F)F)C(=O)c1cccc(C#N)c1 103936639 RCOMQKREGSDUIC-UHFFFAOYSA-N 298.308 3.609 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 110368889 ZNEJUHVIKZHBAW-MRXNPFEDSA-N 257.377 3.605 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccccc1C)C(C)C 112191068 QPFNJDCXHJBYMV-DOTOQJQBSA-N 289.419 3.790 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 116973279 LWERWPOHDINRNU-QWRGUYRKSA-N 282.334 3.632 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1C1CCCCC1 116973999 PBHSEFPYDYPXCX-ZFWWWQNUSA-N 264.413 3.705 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@]1(C)CC 120223387 GPZRXQBYUXNMJY-WBVHZDCISA-N 257.377 3.637 30 20 CHED CCN(C(=O)[C@H]1CC1(C)C)[C@@H](C)c1ccc(C#N)cc1 121218489 INUVUUIEVVAOHR-SWLSCSKDSA-N 270.376 3.514 30 20 CHED C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)c1cc2ccccc2o1 122434195 MRPTZUOVZOZUPV-XHDPSFHLSA-N 284.359 3.591 30 20 CHED CC[C@](C)(C#N)NC(=O)Cc1ccc(-c2ccccc2)cc1 127498518 HCIMCBIVWATYPO-LJQANCHMSA-N 292.382 3.705 30 20 CHED CC[C@@H](C#N)Sc1cc(Br)ccc1OC 127756417 XBEQEXHAAPASEZ-VIFPVBQESA-N 286.194 3.852 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(C)cc1F 129244524 GOMSZBKPAUJLSW-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C#CC[C@H](OC(=O)c1ccc(C(C)C)nc1)c1ccccn1 131830820 VPYKAZGQKAJVTK-KRWDZBQOSA-N 294.354 3.521 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(Br)cc2C#N)CS1 132697693 HTRMDKUBKCSNJX-KCJUWKMLSA-N 297.221 3.627 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(OC2CCCC2)CC1 135000326 YMLZWZUSUVFWGA-KRWDZBQOSA-N 279.424 3.539 30 20 CHED N#Cc1ccc(NCc2nc(C(F)(F)F)cs2)cc1 151496559 XQOLIFZCIRGGFX-UHFFFAOYSA-N 283.278 3.646 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1c(F)cccc1Cl 151726086 FPDGVMVNKQXJEZ-NSHDSACASA-N 296.773 3.643 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)Sc1ccccn1 152411946 QWTCGVLMZCBQTQ-CQSZACIVSA-N 292.448 3.767 30 20 CHED CC#CCCN(Cc1ccccc1)C[C@@H](O)c1cccs1 156034898 AXFVDPOLRNYKGF-QGZVFWFLSA-N 299.439 3.697 30 20 CHED N#CCCCOc1cccc(CN2CCCCCC2)c1 157373272 SJQUGJWDEYLJMI-UHFFFAOYSA-N 272.392 3.745 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)nc(Cl)c1 157495480 GCLZJXOUBOTMTE-UHFFFAOYSA-N 280.799 3.862 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCOc2ccccc21 158714498 PUXSMQZWFAYWCT-OAHLLOKOSA-N 288.391 3.508 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)nc1 161707665 YMZPQHBCMNOHPY-UHFFFAOYSA-N 281.359 3.610 30 20 CHED N#Cc1ccc(F)c(CSCc2nccs2)c1 161737966 CKNIEPVTKJDWOL-UHFFFAOYSA-N 264.350 3.587 30 20 CHED C=CCCC(=O)N(CC)[C@H](CC)Cc1ccccc1 162272367 ZWGAKMCGBWUMJL-MRXNPFEDSA-N 259.393 3.822 30 20 CHED C=CC[C@H](C)N[C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C 162639490 DOSFITGSUXNMRL-KKUMJFAQSA-N 296.455 3.719 30 20 CHED N#Cc1c(Br)cccc1N[C@H]1CCCSC1 165015898 FSEBWWAMNCUUDC-VIFPVBQESA-N 297.221 3.628 30 20 CHED C#CCCCNC(=O)Nc1ccc(C)c(C(F)(F)F)c1 174755265 JBPQPSRJYGNCHQ-UHFFFAOYSA-N 284.281 3.549 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2C)c1 176003132 MOHJBQKPNCKXHF-ZDUSSCGKSA-N 274.364 3.658 30 20 CHED CC#CCSc1nnc(-c2cc3ccccc3o2)o1 176796091 UGEPDRGWHKJXOR-UHFFFAOYSA-N 270.313 3.598 30 20 CHED C=CCOc1cccc(NC(=O)C2(CC)CCC2)c1 176883546 PGDSPHQOPXDLTO-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CC(C)(C)[C@H]1OCCC[C@H]1CNCc1ccc(C#N)s1 176972257 AVMKBFIVXHCEPS-WFASDCNBSA-N 292.448 3.551 30 20 CHED C#CCCCN[C@@H](C)c1ccccc1C(F)(F)F 178057782 UISWDRKISRRRDX-NSHDSACASA-N 255.283 3.769 30 20 CHED N#CCCCCNC(=O)CCCc1ccc2ccccc2c1 180390865 QROYTYLZIZRHRN-UHFFFAOYSA-N 294.398 3.973 30 20 CHED C[C@@H]1CC(C(=O)Nc2ccc(F)cc2C#N)C[C@H](C)C1 180974996 KYMKQMMHFOIQJQ-FOSCPWQOSA-N 274.339 3.708 30 20 CHED N#Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c[nH]1 181232721 BZJRVJYKLWTUNM-QGZVFWFLSA-N 293.370 3.644 30 20 CHED C=CCCC(=O)Nc1cc(F)c(SC)c(F)c1 181666567 AZOGDLBHTZHTMX-UHFFFAOYSA-N 257.305 3.591 30 20 CHED C=CCC[C@H](NC(=O)CC[C@H](C)OC)c1ccccc1 181763472 LANFWZTYEDTPLL-HOCLYGCPSA-N 275.392 3.625 30 20 CHED N#CC1(COC(=O)c2ccc3ncccc3c2)CCCCC1 183699069 BNLJKVOKZRIWQM-UHFFFAOYSA-N 294.354 3.866 30 20 CHED CC#CCCCC(=O)N1CC[C@H](C)c2ccccc21 185332833 LGZLVCAIGWREEU-AWEZNQCLSA-N 255.361 3.720 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 186320209 CJWUWRMQGIGFGT-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED C#CCOc1ccccc1NC(=O)CCc1ccccc1C 187165207 JTBXOMPBGXXBJJ-UHFFFAOYSA-N 293.366 3.578 30 20 CHED CC[C@@H](CC#N)NC(=O)CCCCCc1ccc(F)cc1 187613247 HMSJIHUDPNBOOF-INIZCTEOSA-N 290.382 3.737 30 20 CHED C=CC[C@@H](C)NC(=O)C(C)(C)c1ccc(Cl)cc1F 190446271 WBDZXLCPMOBDTD-SNVBAGLBSA-N 283.774 3.838 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCSc2ccccc21 193127177 ZXYIORMFZGHHHN-AWEZNQCLSA-N 288.416 3.607 30 20 CHED C=CCCCCCN1CCN(C)CC12CCCCC2 193372194 RMMLFRLTBJFACQ-UHFFFAOYSA-N 264.457 3.683 30 20 CHED COc1cc(CN(CCC#N)Cc2ccco2)ccc1C 193602942 HLLFEVBSFYDDMA-UHFFFAOYSA-N 284.359 3.513 30 20 CHED COc1ccc(CNc2cc(Cl)ccc2C#N)c(F)c1 229737461 BSOSEUAUAKJFIF-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#Cc1ccnc(Oc2cnc3ccccc3c2)c1Cl 230216078 PPWFWPPBAPCFRB-UHFFFAOYSA-N 281.702 3.947 30 20 CHED Cc1cc(F)ccc1-c1noc(-c2cccc(C#N)c2)n1 230997868 CICAQAUNYBKGRC-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CCc1cccc(Oc2nccc(C#N)c2Cl)c1 234169891 IXFWAACHNALLKO-UHFFFAOYSA-N 258.708 3.961 30 20 CHED C=CCC[C@H](C)NCc1c(Cl)cccc1OC 234927000 QXQGCFHTSHTGTH-NSHDSACASA-N 253.773 3.793 30 20 CHED C=C(Cl)CN1C[C@H](CC)N(CC(=C)Cl)C[C@@H]1CC 246897751 RITGXVUDRXODOM-KBPBESRZSA-N 291.266 3.666 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NC[C@H](C)C#N)cc1 248429147 BCBFUAYSUHWHHO-INMHGKMJSA-N 299.418 3.637 30 20 CHED N#C[C@@H](C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1nc2ccccc2[nH]1 249529460 XBGUJFXDTZYFEB-FQUUOJAGSA-N 293.370 3.565 30 20 CHED COc1cccc(C=Nc2cccc(F)c2C)c1O 255004909 OCPASPGKVZDTJW-UHFFFAOYSA-N 259.280 3.599 30 20 CHED CC(C)Oc1ccc(N/C(N)=N/[C@H]2C[C@]2(C)C(C)C)cc1 263058344 FGGITXDTTVXFKJ-DOTOQJQBSA-N 289.423 3.635 30 20 CHED CC1(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCC1 264053896 NASYEFJEOCFJFJ-UHFFFAOYSA-N 285.391 3.942 30 20 CHED Cc1ccccc1-c1noc(C2(C#N)CCCCC2)n1 267097437 NZOQFORKGJQGLK-UHFFFAOYSA-N 267.332 3.771 30 20 CHED Cc1noc(C(C)C)c1C(=O)O[C@H](C)c1ccc(C#N)cc1 267170168 UGTUEBDMSDXFIR-GFCCVEGCSA-N 298.342 3.896 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1cccnc1 269963825 VGEBLKQYRRSGRU-UHFFFAOYSA-N 277.412 3.584 30 20 CHED COC1(C)CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 271736289 VFLSFQGQWDUTIA-UHFFFAOYSA-N 298.308 3.582 30 20 CHED C=CCC[C@@H](c1ccccc1)N1C(=O)[C@@H]2CCCCN2C1=O 272062215 CMYGLBCVBPRWEK-HOTGVXAUSA-N 298.386 3.511 30 20 CHED C[C@H](NCCCC#N)c1ccc(N2CCCCC2)c(F)c1 273187637 GGHLZKILKRKSFD-AWEZNQCLSA-N 289.398 3.770 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc3cc[nH]c3c2)no1)OCC 273945246 NIUPJPHRGYGINZ-OAHLLOKOSA-N 297.358 3.742 30 20 CHED C=CCN(C)C(=O)Nc1cc(C(F)F)ccc1Cl 275294572 YSUDCYNFGJIXEQ-UHFFFAOYSA-N 274.698 3.927 30 20 CHED CC(C)[C@H]1C[C@H](Nc2ccccc2O[C@H](C)C#N)CS1 277211245 KHRXFMKKVAPGNX-DVOMOZLQSA-N 290.432 3.919 30 20 CHED CCSc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 278122750 GFUHRISLBRBFNP-UHFFFAOYSA-N 285.372 3.794 30 20 CHED Cc1c(C(=O)/C=C/c2ccnn2C(C)C)cccc1[N+](=O)[O-] 280061568 OSIFDMBYRGCNFB-BQYQJAHWSA-N 299.330 3.577 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(C#N)oc1C 280844075 XPQZYJMRFWXOPS-QGZVFWFLSA-N 294.354 3.745 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1c(F)cccc1F 280951681 GMLKHJSITXAWIG-VIFPVBQESA-N 267.275 3.509 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(CC(C)C)c1C1CC1 281024087 HABSDRWJNOIDJZ-AWEZNQCLSA-N 289.423 3.501 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccc(SC)cc1 281075482 NEZYNFRQZXXVJO-ZDUSSCGKSA-N 275.417 3.779 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2cc(OC)ccc2c1 286749021 FLXZBKJGHMXCIS-KRWDZBQOSA-N 282.343 3.727 30 20 CHED CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H](C)C(C)C 290256260 USKOACSJVIXOKZ-NSHDSACASA-N 277.343 3.596 30 20 CHED CC[C@@H](NC[C@@H]1COc2ccccc21)c1ccc(C#N)cc1 290297421 NGZHLSXQUGSZOV-SJLPKXTDSA-N 292.382 3.775 30 20 CHED C#Cc1ccc(CN[C@@H](c2ncccc2C)C(C)C)cc1 290514801 XEKZKKRUZCLDDW-GOSISDBHSA-N 278.399 3.858 30 20 CHED C=CCCN(C)C(=O)c1ccc(C2=CCCC2)cc1 290812965 UYPRAUXGWJMEPG-UHFFFAOYSA-N 255.361 3.902 30 20 CHED CC(C)(c1ccc(Cl)cc1)c1noc(CCCC#N)n1 291069333 LKSPEVCAVZCMQH-UHFFFAOYSA-N 289.766 3.895 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 294712325 ULTINHKEFFKAFW-HUUCEWRRSA-N 257.377 3.651 30 20 CHED Cc1ccc(OC(=O)CC(C)(C)C#N)cc1Br 296132996 JIOHHMGVUXSAOF-UHFFFAOYSA-N 296.164 3.603 30 20 CHED C=CCCOCCN[C@@H]1CC[C@H]2CCCC[C@H]2C1 300413391 BNQAUZFNRDLMHV-OWCLPIDISA-N 251.414 3.528 30 20 CHED CC(C)COc1cncc(N[C@@H](C)c2ccc(C#N)cc2)n1 301553263 HPOQOTIQWLIHGU-ZDUSSCGKSA-N 296.374 3.556 30 20 CHED Cc1cc(F)cc2c(N3C[C@@H]4CCC[C@H]4C3)c(C#N)cnc12 301608501 OTOKAGMBGNXLGC-STQMWFEESA-N 295.361 3.790 30 20 CHED N#Cc1ccc(OCCOc2cc(F)ccc2Cl)cc1 312232456 GBTDUJBWHXPNGE-UHFFFAOYSA-N 291.709 3.809 30 20 CHED Cc1cc(OCc2ccn(C(C)C)n2)c(C)c(C)c1C#N 313685120 AFUSZCCMIMPBNJ-UHFFFAOYSA-N 283.375 3.840 30 20 CHED CCOC1(CNc2c(C#N)cnc3ccccc23)CCCC1 319691467 HLDHMEWZUOYERT-UHFFFAOYSA-N 295.386 3.868 30 20 CHED O/C(=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ncoc1C1CC1 328689706 IEAFVXJBNRWWAA-XHJNMGKDSA-N 286.375 3.681 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc2nccnc2c1 329092007 JUNQMOJMVHGTPL-KCQAQPDRSA-N 295.386 3.903 30 20 CHED CC[C@H](OC1CCCC1)C(O)=Nc1cccc2c1OCO2 329491029 ZAYGRVNYFCMGOB-ZDUSSCGKSA-N 291.347 3.741 30 20 CHED Cc1cc(C2CC2)nc(N=C(O)[C@H]2CC[C@H](C)C2)n1 329782971 UUNPJFSVGMDALO-CABZTGNLSA-N 259.353 3.687 30 20 CHED CC1(C)CCCC[C@@H]1N/C(O)=N/[C@@H]1CCOC2(CCC2)C1 330207294 FXHGLJGOCUJVGC-KGLIPLIRSA-N 294.439 3.561 30 20 CHED C[C@]1(C/N=C(/O)Nc2ccc(C3CCC3)cc2)CCCO1 330216149 MWGRRNYKNOOKBQ-QGZVFWFLSA-N 288.391 3.849 30 20 CHED CC1(/N=C(/O)Nc2ccc(OC(F)F)cc2)CCCC1 330437285 NAHMLYATDJAHQK-UHFFFAOYSA-N 284.306 3.947 30 20 CHED C[C@@H](C(=O)N1Cc2ccccc2[C@H]1C)c1cccc(C#N)c1 335707297 YKGXZYOPIGQDGB-ZIAGYGMSSA-N 290.366 3.765 30 20 CHED CC(C)c1ccc(C(=O)N2CCC(CC#N)CC2)s1 336017267 RXOSKWVTVLCSAF-UHFFFAOYSA-N 276.405 3.637 30 20 CHED C[C@@H]1c2ccccc2CN1c1nccc(C#N)c1Cl 336334134 BOQYPUXGLIRIKF-SNVBAGLBSA-N 269.735 3.688 30 20 CHED CC1(C)CCC[C@@H](c2noc(CSCC#N)n2)C1 339819780 LOAOIEIAECOABI-SNVBAGLBSA-N 265.382 3.510 30 20 CHED CC[C@@H](C)n1ncc(NCc2ccc(C#N)o2)c1C1CC1 341380488 QGAQARZOLYOHAK-LLVKDONJSA-N 284.363 3.808 30 20 CHED N#Cc1ccc(OCc2nc(C3CC3)cs2)cc1F 342484665 UJWIMZCUUOUCJZ-UHFFFAOYSA-N 274.320 3.610 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CC[C@H](C)C2)s1 345145794 RVPXAUOXXJGCJC-VHSXEESVSA-N 262.378 3.557 30 20 CHED CC[C@H](c1ccccc1OC)N(C)C(=O)[C@](C)(C#N)CC 345873771 FGDBBBHFXIQVHQ-PBHICJAKSA-N 288.391 3.545 30 20 CHED C[C@H](C#N)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 347066661 KKUITOFDBRSITK-BXUZGUMPSA-N 276.355 3.579 30 20 CHED C=C(C)CCN[C@H](C)c1nc2c(s1)CCCC2 351815780 NUDAZPXMOZCZCH-LLVKDONJSA-N 250.411 3.639 30 20 CHED N#Cc1cc(Cl)cc(OCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 352198075 HOUYVTCSGOITCP-WBIUFABUSA-N 289.762 3.596 30 20 CHED N#Cc1cccc(CCNCc2ccc3occc3c2)c1 352853387 MQAVBCHMOAPEHL-UHFFFAOYSA-N 276.339 3.637 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(F)cc1C 354078471 SCLDFCSPWUOOIX-UHFFFAOYSA-N 297.333 3.690 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1cc(C#N)cs1 354838899 BYKWHLYGAYYZOW-GFCCVEGCSA-N 284.384 3.728 30 20 CHED C=CCN(CC[C@@H](C)OCc1ccccc1)C1CC1 355262687 REOYNPRUMVSATB-OAHLLOKOSA-N 259.393 3.632 30 20 CHED CC(C)[C@H]1C[C@H](NC(=O)CC(C)(C)C#N)c2ccccc21 357449841 HBUQPZGTUDGHBY-CVEARBPZSA-N 284.403 3.927 30 20 CHED C=C(CNC(=O)[C@@H](OCC)c1ccccc1)c1ccccc1 360213477 PLQBBLHFSGXDEL-SFHVURJKSA-N 295.382 3.594 30 20 CHED Cc1nsc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1C#N 360879553 IIYTWDRXRUMHDP-UHFFFAOYSA-N 295.707 3.677 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C[C@H]2c2ccccc2)cc1F 362299922 JEKPGYHDEZMQGU-ZBFHGGJFSA-N 294.329 3.830 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(F)cc2C#N)C1 364104627 UQZPPRVYWJTGEI-FZKQIMNGSA-N 295.361 3.675 30 20 CHED C=C(C)C[C@H](C)C(=O)N1[C@@H](C)COC[C@H]1c1ccccc1 373359531 GKXKSTQLRXQWPG-ZOBUZTSGSA-N 287.403 3.577 30 20 CHED CC1(C)CN(c2nccc(C#N)c2Cl)[C@H]2CCC[C@H]21 381258742 WUYMMNPZXSBSKI-NEPJUHHUSA-N 275.783 3.622 30 20 CHED CC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C1CCCC1 382847533 DVSRQCBDLRMRBJ-CQSZACIVSA-N 292.329 3.535 30 20 CHED CCOCC(C)(C)CNc1cc(Cl)ccc1C#N 394091515 RGTVUUPMRAGGLT-UHFFFAOYSA-N 266.772 3.686 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2cccc3ccsc23)C1 397831391 XAOLHRIRYJYKPV-LBPRGKRZSA-N 284.384 3.667 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 398153339 SWIVQTKADCWHEC-SNVBAGLBSA-N 296.754 3.723 30 20 CHED C[C@H]1CCCC[C@H]1N(C)Cc1ccc(CC#N)cc1 399008331 VTZSYTWQWLSSTI-WMLDXEAASA-N 256.393 3.763 30 20 CHED N#CC1(CSc2ccc3c(c2)OCCO3)CCCC1 405148730 CJQAPKVIHWLRPO-UHFFFAOYSA-N 275.373 3.634 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@@](C)(C#N)C(C)(C)C 410668366 ALNQCFFFXNLROL-DOMZBBRYSA-N 252.402 3.503 30 20 CHED CCC(CC)C(=O)Nc1ccc(Cl)cc1CC#N 410970139 QPSNTBULFFDMIA-UHFFFAOYSA-N 264.756 3.781 30 20 CHED CCOc1ccccc1C1=CCN([C@@H](C)CCC#N)CC1 411195552 SWFRDKZSWRRJJT-HNNXBMFYSA-N 284.403 3.867 30 20 CHED C=CCC[C@H](N[C@H]1CS[C@@H](C)C1)c1ccco1 414221394 DFWZXMTZHBWWDY-XQQFMLRXSA-N 251.395 3.771 30 20 CHED CCC[C@@H](C)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416093624 DMKPYJLDWVJOJF-DYVFJYSZSA-N 284.403 3.878 30 20 CHED CCC(C)(C)CC(=O)Nc1ccc(C#N)c(C#N)c1C 421552258 BGUNWKDMMDYKNE-UHFFFAOYSA-N 269.348 3.503 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1ccsc1 421893828 XHYABCILMPBCLV-ZDUSSCGKSA-N 262.403 3.922 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 424192191 IQUBLRWFILIFIZ-MLHJIOFPSA-N 268.404 3.680 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H](c2ccccc2)c2ccc(F)cn2)C1 424325477 LABPEDYOFCSAFI-XCRHUMRWSA-N 295.361 3.592 30 20 CHED CCCc1sc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1CC 424966135 ICTWUIWOBCDHTD-WCQYABFASA-N 290.432 3.685 30 20 CHED CC(C)(C#N)CC(=O)Nc1csnc1-c1ccccc1 425510201 AXYMQNHYPBWXSD-UHFFFAOYSA-N 285.372 3.688 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(NC(=O)CCC)c1 429885039 LFRGRQRKQFYMDN-UHFFFAOYSA-N 288.391 3.966 30 20 CHED CC(C)CCSCC(=O)Nc1ccc(C#N)cc1Cl 430359277 RIGFINBQBKXFGV-UHFFFAOYSA-N 296.823 3.929 30 20 CHED C[C@@H](NC(=O)NCC1(CC#N)CC1)[C@H](C)C1CCCCC1 430844245 JRHINUAUQXEMTO-UONOGXRCSA-N 291.439 3.584 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(C)n1C)c1ccccc1 435410651 JBKZULMCSNSTEZ-MRXNPFEDSA-N 282.387 3.771 30 20 CHED CC[C@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1OC(F)F 437633764 YOKDYSOCTVESCH-RISCZKNCSA-N 294.345 3.780 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)[C@H](C)C1CCCCC1 437734796 QZGPHENJVITEJI-RYUDHWBXSA-N 290.432 3.954 30 20 CHED C=CCC[C@H](NC[C@@H](c1ccc(F)cc1)N(C)C)C1CC1 439088622 VCOIPIPYGVVWEG-ROUUACIJSA-N 290.426 3.763 30 20 CHED N#C[C@H]1CC[C@H](NCCc2csc(-c3ccccc3)n2)C1 442637361 ORVUCHOGFGYEDW-ZFWWWQNUSA-N 297.427 3.634 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN(C)C[C@H](C)C#N 443413400 CEYDIQQWLJWCHO-SNVBAGLBSA-N 270.298 3.605 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cc2ccccc2s1 446925734 RNAFEJFWJLLRLZ-CHWSQXEVSA-N 275.417 3.737 30 20 CHED C[C@@H](C1CCCCC1)N(C)Cc1ccc(C#N)cc1 447083250 BBYCQVLPWUTHKV-AWEZNQCLSA-N 256.393 3.959 30 20 CHED N#Cc1ccc(SCC(=O)c2nccs2)c(Cl)c1 447310360 WYMSXRVECUYVJV-UHFFFAOYSA-N 294.788 3.643 30 20 CHED C=C(C)CCNC(=O)[C@@H](c1ccccc1)[C@H](C)CC 448551001 PPVCMRSNRYVFPN-GDBMZVCRSA-N 259.393 3.899 30 20 CHED CC1(C#N)CCC(N[C@H]2COc3ccc(Cl)cc32)CC1 449188716 ODLKFXOJEMDFRW-UGWHAMFMSA-N 290.794 3.836 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)c1nnc(C)s1 449234485 BZVAQTKVVOUJDZ-QWRGUYRKSA-N 253.415 3.632 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CCCC1 449435449 CCDISCLKNGSCOM-AWEZNQCLSA-N 282.387 3.872 30 20 CHED C=CC(C)(C)CN[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 449483406 AGXFEUWCLBSCLS-UONOGXRCSA-N 291.435 3.998 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 450077907 YAZHZCVKSKVCQQ-HZMBPMFUSA-N 296.292 3.670 30 20 CHED C=CCC1(C(=O)N[C@H]2CCOC3(CCC3)C2)CCCCC1 450157090 MYMPIKBPTZXLAW-HNNXBMFYSA-N 291.435 3.731 30 20 CHED N#CC1(CN2CCC[C@H]2CCc2ccccc2)CCC1 450267329 AMWUZZHHEHBRGK-KRWDZBQOSA-N 268.404 3.777 30 20 CHED C=C(C)[C@H](NC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(F)c(F)c1 450781513 RWZHUBSFZGOBLN-IXKJSCDLSA-N 293.357 3.739 30 20 CHED C=CCC1(C(=O)Nc2cnn(CCC)c2C2CC2)CCC1 452914432 HVJYUWHQIKCHME-UHFFFAOYSA-N 287.407 3.855 30 20 CHED C=CCC1(NC(=O)NCc2nc(C)cs2)CCCCC1 457583026 WJRIPDFCVYMWEC-UHFFFAOYSA-N 293.436 3.530 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)NCC(C)(C)CC#N 459252824 CYGZMZSBTKUNSU-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED Cc1ccc(CC[C@H](C)NCC(C)(C)CC#N)cc1 459725566 CZUACMZPZOXCHB-HNNXBMFYSA-N 258.409 3.846 30 20 CHED C=C(C)Cn1c(N2CC[C@H](C)[C@H]2CC)nnc1C(C)(C)C 460551314 IWHSUWJSDBOFJV-UONOGXRCSA-N 290.455 3.777 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1C[C@H](C)c2ccccc21 460566560 LDHLGAVXDQSDHT-ZDUSSCGKSA-N 294.402 3.987 30 20 CHED Cc1ccccc1CN(C)C(=O)[C@@H](C)c1cccc(C#N)c1 461737472 OHGONZHJUZHGGD-HNNXBMFYSA-N 292.382 3.629 30 20 CHED C[C@H](N=c1ccc2ccc(F)cc2[nH]1)c1ccc(C#N)cc1 462090886 KUDAIWAOQAETJD-LBPRGKRZSA-N 291.329 3.841 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3C[C@H]4[C@H](C3)C4(C)C)c2c1 462896071 MSDHYQWGACSXGD-HOTGVXAUSA-N 291.398 3.816 30 20 CHED C=C[C@@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 465115777 ZCTMULYKXHIXOH-CQSZACIVSA-N 289.419 3.834 30 20 CHED C=C[C@@H](C)NC(=O)C1(Sc2ccccc2)CCCC1 465120703 MUFBYLISCBIQDK-CYBMUJFWSA-N 275.417 3.782 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CCC(C)(C)C1 466329155 YGLJQVPFSVEREA-OLZOCXBDSA-N 252.402 3.561 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(C)c1Br 466605712 CMCSIHGYKFQIBM-UHFFFAOYSA-N 297.196 3.797 30 20 CHED COc1ccc([C@H](C)NCCc2cccc(C#N)c2)c(F)c1 467432146 IWYKZIWSHGXJJV-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED C=CCOCCCN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C 470790782 XFSHSWQYXIBGRD-GJZGRUSLSA-N 289.419 3.596 30 20 CHED C=CCC[C@@H](O)CN(C)CC(C)(C)c1ccc(C)cc1 472566813 QTKONJFHGVFQCC-QGZVFWFLSA-N 275.436 3.532 30 20 CHED C=CCCCCNC(=O)Nc1cc(F)ccc1C 473499963 VTUXQGYEGKILEA-UHFFFAOYSA-N 250.317 3.612 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@@H]1CCC(=O)[C@@H]1C 475906028 OKCDXRLGHBKRTJ-ZBFHGGJFSA-N 291.435 3.587 30 20 CHED CC[C@H](C)CN(C)Cc1ccc(C#N)cc1Br 481114088 JRTJEXCSKFEZAA-NSHDSACASA-N 295.224 3.799 30 20 CHED C[C@@H]1CC[C@H](NCC#Cc2ccc(F)cc2)[C@H](C)C1 481167694 LRUDLLSOBDKHDA-CPUCHLNUSA-N 259.368 3.592 30 20 CHED C=CCN(C(=O)[C@H]1CCC(F)(F)C1)c1ccccc1 483210512 YMNPJABBLSTECX-LBPRGKRZSA-N 265.303 3.641 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CC1CCCCC1 487226572 AHXAVRZUEPAXOX-YOEHRIQHSA-N 281.440 3.690 30 20 CHED C=CCCCCCN(C)C1CCN(C(C)C)CC1 487862784 SVAZHMYOJCBPNO-UHFFFAOYSA-N 252.446 3.537 30 20 CHED N#Cc1cc(Cl)cc(OCc2cccc(F)c2C#N)c1 488279997 FRSQQEARZZFSSJ-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CCN(CCC#N)Cc1ccc(OC(C)C)c(Cl)c1 493178391 FCDWUJFPXRGULJ-UHFFFAOYSA-N 280.799 3.863 30 20 CHED C=C(CNC(=O)N[C@H](C)c1ccccc1)c1ccccc1 495409104 NLASNHPSAKKXAK-OAHLLOKOSA-N 280.371 3.760 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@H](C)c1ccc(Cl)cc1 498113890 IRITZLDXSZCJET-GHMZBOCLSA-N 283.824 3.825 30 20 CHED COc1ccccc1CCCOc1ccc(C#N)c(F)c1 503302114 XHOCDRZDPOEDSP-UHFFFAOYSA-N 285.318 3.718 30 20 CHED CC[C@@H](C)n1c(S[C@@H](C)C#N)nnc1-c1ccccc1 504315753 XNRGHRUHSFHIBT-NEPJUHHUSA-N 286.404 3.920 30 20 CHED C[C@H]1C[C@@H](CNc2cc(C#N)ccc2C(F)(F)F)CCO1 505708209 XLBOVQJVGLRQGC-JQWIXIFHSA-N 298.308 3.804 30 20 CHED C=CCN(CC=C)Cc1c(Cl)cccc1OC 505903703 USOJCNUYLBOLNZ-UHFFFAOYSA-N 251.757 3.523 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCCC2(CCCC2)C1 508494516 QARUIADCUASZEM-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=C(C)CCc1noc(-c2ccnc(O[C@@H](C)CC)c2)n1 508686809 PFXJVZZLYLWYLL-LBPRGKRZSA-N 287.363 3.818 30 20 CHED C=C(C)CCN[C@H](c1ccc(OC)cc1)C(F)(F)F 509009132 XOVWRURMZHGHRR-CYBMUJFWSA-N 273.298 3.854 30 20 CHED C=CC[C@@H](CC)NCCC(=O)Nc1ccc(Cl)cc1 517025946 VITOCIWOZNOTGO-CYBMUJFWSA-N 280.799 3.613 30 20 CHED Cc1cccc(C)c1OCCCN(CC#N)C1CCCC1 523439149 MAQLXTSUOUSTEG-UHFFFAOYSA-N 286.419 3.841 30 20 CHED C=CCCS[C@H]1CCCN(c2cc(C)ccc2F)C1=O 523521269 YYJLMIXTXYUOGU-HNNXBMFYSA-N 293.407 3.939 30 20 CHED CC(C)OC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 527190492 ADAHJJCLFOBQGO-AWEZNQCLSA-N 272.392 3.509 30 20 CHED CC1(C)COc2cc(NCc3ccc(F)c(C#N)c3)ccc21 530116551 MRNAWJQVYUIHEM-UHFFFAOYSA-N 296.345 3.979 30 20 CHED C[C@@H](CNCc1ccc(C#N)cc1F)Cc1cccs1 532987140 SADFLKBZPVMTLD-GFCCVEGCSA-N 288.391 3.727 30 20 CHED CC#CCN[C@@H](COc1ccccc1F)c1ccccc1 538169297 LCHFPVJDURPKIS-KRWDZBQOSA-N 283.346 3.559 30 20 CHED CCO[C@@H]1C[C@@H](N[C@H](C)c2cccc(C#N)c2)C12CCCC2 538395433 AZWBBRLTSVYBED-ZTFGCOKTSA-N 298.430 3.947 30 20 CHED C=C(CC)CSc1nc2cc(Cl)cnc2[nH]1 540214158 YSWACPJEURSNDJ-UHFFFAOYSA-N 253.758 3.670 30 20 CHED CCN(C[C@@H](C)C#N)[C@H]1CCc2ccc(Cl)cc21 541271165 JZVHAMPQJPXXSP-NHYWBVRUSA-N 262.784 3.809 30 20 CHED CC[C@@H]1CC[C@@H](C)N1c1ncc(Cl)c(C)c1C#N 543137103 NKWXRBUIKYPWBH-MWLCHTKSSA-N 263.772 3.682 30 20 CHED C[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC(C)(C)C1 544116651 DUOGPIXXPJFMGG-KBPBESRZSA-N 256.393 3.987 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)CCC(C)(C)C 544403580 FECRLJMBVWRISP-SWLSCSKDSA-N 252.402 3.503 30 20 CHED C=C(CC)CN[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 544512249 HYXCTKDZGYOBAN-GFCCVEGCSA-N 289.354 3.801 30 20 CHED Cc1ccc(C(C)(C)NCC#Cc2ccc(Cl)cc2)cn1 545396576 AMFINXDJENTORW-UHFFFAOYSA-N 298.817 3.920 30 20 CHED C=CCC[C@H](C(=O)N=c1cc(C)[nH]cc1C)c1ccccc1 547959194 DVDIJERSZLSINB-KRWDZBQOSA-N 294.398 3.809 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 557430580 BNVOJZTXCOVUTG-RBUKOAKNSA-N 298.430 3.897 30 20 CHED C=CCCCC[C@@H](C)NCc1c(CC)nn(C)c1CC 561584987 UNJBXUXJAJVPSV-CQSZACIVSA-N 277.456 3.769 30 20 CHED CC(C)(C)CCC(=O)Nc1cc(C#N)c2ccccc2n1 561841551 YQHNKKUOYMOQLA-UHFFFAOYSA-N 281.359 3.871 30 20 CHED C=C(CC)CNC(=O)N[C@@H](c1ccccc1)C(F)(F)F 562882530 JKPNNEQYXYATSV-LBPRGKRZSA-N 286.297 3.555 30 20 CHED Cc1ccc(NC[C@@H](C#N)CCC#N)cc1OC(C)C 564406304 UPFYGFLOPJACEZ-CQSZACIVSA-N 271.364 3.638 30 20 CHED CC#CCCCc1nc([C@@H]2CCCc3ccccc32)no1 568798125 VKWROTVYPSXTQB-MRXNPFEDSA-N 280.371 3.884 30 20 CHED CC(=O)c1ccc(C#N)c(NCCc2ccc(C)cc2)c1 568820886 KGZHESMWBTWPGD-UHFFFAOYSA-N 278.355 3.724 30 20 CHED N#Cc1nccc(N[C@H](c2ccccc2)C2CCCC2)n1 572422774 IHWDDGKVECZTGA-QGZVFWFLSA-N 278.359 3.692 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 576407912 FOVCJYIQRLASLQ-LSDHHAIUSA-N 288.435 3.961 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](CC3CC3)C2)c1 577982291 VZWZICLVKRSELG-AWEZNQCLSA-N 283.375 3.521 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)C 579533381 TZMVOPIQYMNFCY-CYBMUJFWSA-N 277.343 3.644 30 20 CHED CCC[C@H](C#N)NC(=O)CCCc1ccc(SC)cc1 580078058 PKJUYAWYXJBSRZ-CQSZACIVSA-N 290.432 3.540 30 20 CHED N#Cc1ccc(CNC[C@@H](c2ccccc2)C2CC2)c(F)c1 581002956 LVAJCCXLFBHGDA-SFHVURJKSA-N 294.373 3.981 30 20 CHED C=C(CC)CN[C@H](Cc1cccc(OC)c1)C1CC1 581038562 ORRHJFYXAJTVRP-QGZVFWFLSA-N 259.393 3.572 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@H]2CCC[C@H]2C)cc1 581215195 RBABIBYDJNJZSX-XYPHTWIQSA-N 284.403 3.756 30 20 CHED CC[C@H](CC#N)N[C@H](C)CCSc1ccccc1 582011676 KCEFWVBXRXNWFQ-ZIAGYGMSSA-N 262.422 3.839 30 20 CHED CC[C@H](N[C@H](CC)CC#N)c1ccc(F)cc1F 583033032 AWZKRHIWHKCAEC-RISCZKNCSA-N 252.308 3.698 30 20 CHED CC[C@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@H](CC)O1 583805513 UWSCWEFVTNMLJC-HOTGVXAUSA-N 295.386 3.500 30 20 CHED N#Cc1cccc(C2(NC(=O)NC3CCCCCC3)CC2)c1 584131539 CUUVWWWGESBASO-UHFFFAOYSA-N 297.402 3.569 30 20 CHED CN(Cc1cc(F)c(F)c(F)c1)C(=O)CCCCCC#N 588163201 DLRVVWGIQMJRJI-UHFFFAOYSA-N 298.308 3.536 30 20 CHED C[C@@H](CCC#N)CN1CCC(OCc2ccccc2)CC1 590593367 QGTHGIAHJQISQQ-INIZCTEOSA-N 286.419 3.607 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1(C)CCCCC1 593965724 KTIWAOBPRXKTBL-AWEZNQCLSA-N 284.403 3.576 30 20 CHED CCC(C)(C)N1CCN(CCC2(C#N)CCCCC2)CC1 594021252 QFDWBBBOKOSNGM-UHFFFAOYSA-N 291.483 3.657 30 20 CHED Cc1ccccc1[C@H](C)NCCc1ccc(C#N)cc1 594709210 FXGDAEBPCJUUTA-HNNXBMFYSA-N 264.372 3.760 30 20 CHED C[C@@H](CCCc1cccnc1)N[C@H](C#N)c1ccccc1 595540879 SEYOPBBSSDHCKL-MAUKXSAKSA-N 279.387 3.647 30 20 CHED CC(C)c1ccc2ncnc(N(C)CC(C)(C)C#N)c2c1 596239973 NOUAXAIKTJIOGL-UHFFFAOYSA-N 282.391 3.739 30 20 CHED CCCc1sc(C(=O)N(C2CC2)[C@@H](C)C#N)cc1CC 598128181 YBQHEYBTXGDPOA-NSHDSACASA-N 290.432 3.780 30 20 CHED CCCC[C@@H](C(=O)NC1(C#N)CCCCC1)C(C)C 598652640 ORCHJXISTHTTFS-CQSZACIVSA-N 264.413 3.791 30 20 CHED N#Cc1ccc(N(C(=O)[C@H]2CC23CCC3)C2CCC2)cc1 598887620 YVLPFIOEIJSNMT-MRXNPFEDSA-N 280.371 3.634 30 20 CHED CCSc1ccccc1-c1noc(C(C)(C)C#N)n1 599179452 HGMWQICTIHOEDI-UHFFFAOYSA-N 273.361 3.650 30 20 CHED C=CCC1(CNC(=O)C(C#N)(CC)CC)CCCC1 599996280 IWORJWAUEDVUOZ-UHFFFAOYSA-N 262.397 3.569 30 20 CHED N#Cc1ccc(CCSCc2noc(C3CCC3)n2)cc1 600639292 XMOFYMKERMZURD-UHFFFAOYSA-N 299.399 3.685 30 20 CHED Cc1cc(F)cc(N[C@H](C)CC2(C#N)CCOCC2)c1 602489458 LWTXTDCZGKPUKR-CYBMUJFWSA-N 276.355 3.645 30 20 CHED C[C@@H](CCC#N)CNCc1cc(F)ccc1Br 602517256 DHHNCBHCTAUKSY-JTQLQIEISA-N 299.187 3.618 30 20 CHED CC[C@](C)(NC[C@H](C)CCC#N)c1nc(C)cs1 602545544 FFOSDVOWIFSDCJ-RISCZKNCSA-N 265.426 3.606 30 20 CHED C[C@H](CCC#N)CNCC(C)(C)c1cccc(F)c1 602545652 HZSJNZLUUHHAGW-CYBMUJFWSA-N 262.372 3.633 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(CCC#N)Cc1ccccn1 609142775 MDVCCKDMDFWDIK-CVEARBPZSA-N 299.418 3.540 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N2CCC[C@](C)(C#N)C2)CC(C)(C)C1 612242365 NPOGSCSPPSKTDB-RVKKMQEKSA-N 290.451 3.991 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)Cc1cccs1 613540851 AJTKVAVMXLRXDL-LLVKDONJSA-N 272.373 3.671 30 20 CHED Cc1cc(NC(=O)NCC(C)(C)C#N)cc(C(F)(F)F)c1 617033490 TUMJXJMZZGVOLG-UHFFFAOYSA-N 299.296 3.685 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C)c(C(C)=O)c2)C1 617780437 VVGVOQLCHBHZKA-OAHLLOKOSA-N 285.387 3.626 30 20 CHED C=CCC1(NC(=O)c2cccc([C@@H]3CCOC3)c2)CCCC1 619110379 DTFWGGFSISJMLE-QGZVFWFLSA-N 299.414 3.809 30 20 CHED C=C(C)CCNCc1ccc2ccc(F)c(F)c2n1 639226623 HIAZXMBSEWFSSF-UHFFFAOYSA-N 262.303 3.569 30 20 CHED CC#CCCCC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 648503524 AIFXJVULUSXNHZ-HNNXBMFYSA-N 295.386 3.625 30 20 CHED C=CCC1(C(=O)NC[C@@H]2OCCc3ccccc32)CCCC1 648927541 OZNAOCGNYRANND-KRWDZBQOSA-N 299.414 3.553 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCC[C@H]1CCc2ccccc2N1 653232613 GGQITJOOUQAKJO-GDBMZVCRSA-N 286.419 3.522 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2cc(F)c(F)cc2C1 654172379 ARECSGPZBYLUDI-UHFFFAOYSA-N 277.314 3.575 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC(C)(C)CCCO 657909762 OTHMFRXUPXWORL-CABCVRRESA-N 253.430 3.510 30 20 CHED C=CCCOCC(=O)N(CC(C)C)c1ccccc1Cl 662075699 SAXPQHNRQCPONU-UHFFFAOYSA-N 295.810 3.922 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2F)C1 666003868 NAEFMVBOFWIVNS-SNVBAGLBSA-N 298.308 3.924 30 20 CHED C=C(CNC(=O)c1sccc1Cl)c1ccccc1 673341724 GUHDVMSXLBBVOJ-UHFFFAOYSA-N 277.776 3.845 30 20 CHED CCC#C[C@@H](C)N1CCO[C@H](c2ccccc2Cl)C1 677048169 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VSNHESOXCJQBLI-PTNGSMBKSA-N 294.350 3.916 30 20 CHED CC(C)CCCCCC(=O)NCc1ccc(C#N)cc1 747875307 XNSUTGDULHQSNN-UHFFFAOYSA-N 272.392 3.781 30 20 CHED CCCCC[C@@H](NC(=O)c1cc(C#N)c[nH]1)C(C)(C)C 748313207 KCSZOHRJWXOVEK-CQSZACIVSA-N 275.396 3.611 30 20 CHED COc1cccc(NN=C2c3ccccc3C[C@@H]2C)c1 751135543 YYOXOZVZZQXASX-LBPRGKRZSA-N 266.344 3.704 30 20 CHED CCCCCCCCC(=O)N1CCC[C@](C)(C#N)C1 753165021 VBAWDWMCWBOIOB-MRXNPFEDSA-N 264.413 3.889 30 20 CHED CC[C@@H](C)c1ccc(C(=O)NCCCCC#N)cc1 755284712 CMWCSRUVLPRSGS-CYBMUJFWSA-N 258.365 3.624 30 20 CHED CCCCCCCCCCNC(=O)C1CCN(C)CC1 755640982 MSPVWJJPSNCNFZ-UHFFFAOYSA-N 282.472 3.585 30 20 CHED CCO[C@H]1CC(=NO[C@H]2CCCCO2)C12CCCCC2 755814272 LTBNBLFGNNSXNY-GJZGRUSLSA-N 281.396 3.645 30 20 CHED CC(=NNc1cc(C)ccn1)c1cnc2ccsc2c1 755905905 KGTHUEUHDZXCTG-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1c[nH]c2ccc(Cl)cc12 756000613 KWSRVFLJQIEQSK-JTQLQIEISA-N 277.751 3.872 30 20 CHED C=CCC[C@@H](C)Nc1ccc(OCC(C)(C)O)cc1 757608810 HWBFBWVNGIUJKH-CYBMUJFWSA-N 263.381 3.603 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)Oc2cc(F)cc(F)c21 758027895 ATFYOGXYNLHUHY-BAQGIRSFSA-N 299.685 3.691 30 20 CHED CC[C@H]1CCCC1=NNC(=S)Nc1ccc(OC)cc1 758362258 RJRKTUFEWFLSHD-NSHDSACASA-N 291.420 3.548 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)/C(C)=C\c1cccc(Cl)c1 758466719 NQWQGIHUOKWZBX-OEMOTLHWSA-N 290.794 3.751 30 20 CHED CC#CCCOC(=O)CSCc1cccc(Cl)c1 760288602 AEEIPCCXAYIPRC-UHFFFAOYSA-N 282.792 3.530 30 20 CHED C/C=C(\C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 760967093 BDWCPCSCZFCLKI-OTVCUZDGSA-N 289.285 3.574 30 20 CHED N#Cc1c(F)ccc(/C=C/C(=O)c2ccncc2)c1Cl 761474321 KQJXKXIWYUDJMX-DUXPYHPUSA-N 286.693 3.642 30 20 CHED COc1nccnc1NN=C/C=C(/C)CCC=C(C)C 763422153 OWRWIMYTFPKPHL-FSXHMEFGSA-N 274.368 3.576 30 20 CHED Cc1nc2ccc(C(=O)OCC(C)(C)CC#N)cc2s1 764071531 KOCUWQRTTLUJDL-UHFFFAOYSA-N 288.372 3.701 30 20 CHED CC#CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 764220317 ZYAUFYIUDGLWJW-KRWDZBQOSA-N 283.758 3.569 30 20 CHED Fc1ccccc1CCNN=Cc1c(F)cccc1Cl 764718333 XGPQLJYRPPOODU-UHFFFAOYSA-N 294.732 3.784 30 20 CHED Cc1ccc(CC[C@H](C)NCc2ccc(C#N)cc2)cc1 765009387 FYCSZDSYCFFQTJ-INIZCTEOSA-N 278.399 3.978 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1NCc1cc(C#N)ccc1F 766213035 CKTPAOUIGDAMFS-ABAIWWIYSA-N 260.356 3.612 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(O[C@@H](C)CC)c1 767067209 NENINIQKGHHQPK-ZDUSSCGKSA-N 273.376 3.852 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2cnc3ccccc3n2)C1 768363675 BOZSAYDITZLNOR-QWHCGFSZSA-N 268.364 3.854 30 20 CHED C=C1CCN(Cc2sc3nc(C)nc(C)c3c2C)CC1 769339538 RHXSPZHUIQWJND-UHFFFAOYSA-N 287.432 3.769 30 20 CHED Cc1ccc(C)c2c1CCCC2=NNc1ccccn1 769778426 RFNRCTBKRAEPNE-UHFFFAOYSA-N 265.360 3.851 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccc(C#N)s2)C[C@H]1C 770995755 SFWHVHZUSQKYNI-GMTAPVOTSA-N 263.362 3.601 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1c(F)cccc1Cl 773159970 JGGFPJFLGJOPNL-YRNVUSSQSA-N 298.704 3.843 30 20 CHED C#CCCCCC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 773310956 YGBIMLRONGDIMK-STQMWFEESA-N 289.341 3.665 30 20 CHED C[C@@H](/N=C/c1ccccc1O)c1ccc(N(C)C)cc1 773908879 YLCINJWQRVIBGF-RNEAKCBISA-N 268.360 3.638 30 20 CHED Cc1cccc(C(=O)OCc2cccc(C#N)c2F)c1F 774969059 LPZAQVJFVALHEU-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=C(C)COC(=O)c1cc2cc(OC)ccc2nc1Cl 775016295 XPXAIUOEZFHOQG-UHFFFAOYSA-N 291.734 3.630 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cscn2)cc1 776194113 XYHLIJXUFUVAMK-VMPITWQZSA-N 273.357 3.828 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC[C@@H](C)C2)cc1 776707491 ZVVNWGSKLQDNEJ-HUUCEWRRSA-N 270.376 3.678 30 20 CHED N#C[C@@H](OC(=O)C[C@@H]1C=CCCC1)C1CCCCC1 778392990 UDCWUDAJMLVWKC-UKRRQHHQSA-N 261.365 3.748 30 20 CHED C#CCCCCCC(=O)N1CCCc2cc(C)ccc21 779741454 MMRORWUTVULLCD-UHFFFAOYSA-N 269.388 3.858 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NN[C@H]1CCOC(C)(C)C1 780251516 VARMUACXHRXADB-OLZOCXBDSA-N 266.429 3.736 30 20 CHED C#CCCCCCC(=O)OCc1csc(CCC)n1 780264795 SOMHYJZMRRZEJD-UHFFFAOYSA-N 279.405 3.723 30 20 CHED CC(C)c1ccc(C=NNc2ccnc(F)c2)cc1 781127001 JIBZBVDFWOATDV-UHFFFAOYSA-N 257.312 3.790 30 20 CHED Cc1cccnc1C=NNc1cccc(Br)c1 781586388 KZKZKVAAMLOIBO-UHFFFAOYSA-N 290.164 3.599 30 20 CHED Cc1cc(COC(=O)CSc2ccccc2)ccc1C#N 782371376 GTKUBBJOVYEEOK-UHFFFAOYSA-N 297.379 3.702 30 20 CHED C#CCCCCN[C@H](c1ccccc1)C1CCOCC1 782773901 XYQRSTQARCPOAB-GOSISDBHSA-N 271.404 3.547 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 783508328 WKQOAWMAUOLNBT-UHFFFAOYSA-N 287.294 3.960 30 20 CHED CC(C)(C#N)CCCOC(=O)CCCC(F)(F)F 784495941 WRPAVMISRLATLY-UHFFFAOYSA-N 265.275 3.592 30 20 CHED c1nc(NN=C2CCC3(CCCCC3)CC2)c2nc[nH]c2n1 786041600 YYOHNXGYHAVUNY-UHFFFAOYSA-N 298.394 3.645 30 20 CHED C#CCC1(C(=O)N[C@@H](C)Cc2ccsc2)CCCCC1 788176272 TZBXWPAZKVBKLK-AWEZNQCLSA-N 289.444 3.769 30 20 CHED C[C@H](C#N)OC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 788222681 JXHJHIWJAWNKDB-ZIAGYGMSSA-N 295.338 3.895 30 20 CHED CC[C@H](C)NN=C[C@@H](C)c1cccc(Br)c1 790187391 AMRDNFZCJQJEBA-MNOVXSKESA-N 283.213 3.927 30 20 CHED CCCCCCCC[S@@](=O)c1cccc(O)c1 790212317 ULQWSLZDBDJPOP-QGZVFWFLSA-N 254.395 3.860 30 20 CHED 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1458266065 XMWDDLDZOHEWHX-LBPRGKRZSA-N 297.789 3.996 30 20 CHED N#Cc1ccc(CNC2(C3CCCCC3)CC2)s1 1460916030 QRLUTGBNXYVPPI-UHFFFAOYSA-N 260.406 3.822 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNc1ccc(C#N)cn1 1472806203 LOKWSPUYVYIKQB-LSDHHAIUSA-N 257.381 3.972 30 20 CHED C[C@H](OC(=O)[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 1524300880 CUFLKZAUXFOKBG-HEHGZKQESA-N 271.360 3.989 30 20 CHED Cc1c(Cl)cccc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1535478532 FLTONBUPPJSLMX-NEPJUHHUSA-N 277.751 3.888 30 20 CHED COc1cccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1C 1539790927 JQNBHQHDVQKZDE-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED Cc1cc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)ccc1C#N 1560294093 NMNWZDHSROEZOC-IEWDOMPSSA-N 280.415 3.781 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(C[C@H](C)C(=O)O)cc1 1604122796 CJBJUERXJDOKBN-STQMWFEESA-N 288.391 3.690 30 20 CHED N#Cc1nc(Nc2ccc3c(c2)CCC3)ccc1Cl 1641961932 OTSCRMZWIATWGY-UHFFFAOYSA-N 269.735 3.839 30 20 CHED CC(=O)c1cc(CSc2ccc(Cl)cc2C#N)on1 1643746385 GCEPVFZOOWNFHE-UHFFFAOYSA-N 292.747 3.695 30 20 CHED C=C(Cl)CN(C)C[C@H]1CCCCN1Cc1ccccc1 1644258420 BZSPVZLCSAUSIF-QGZVFWFLSA-N 292.854 3.725 30 20 CHED N#Cc1c[nH]ccc1=NCc1ccc(-c2cccs2)cc1 1651221448 BYEAFUIPPMDXPX-UHFFFAOYSA-N 291.379 3.716 30 20 CHED CC[C@H](c1ccccc1OC)N(C)c1ccnc(C#N)c1 1655532531 XIXXRIVIPXTCFW-MRXNPFEDSA-N 281.359 3.549 30 20 CHED Cc1ccnc(N2CC3(CCCC3)[C@@H]2C(C)C)c1C#N 1655564590 LCKBUWCMQHDIJA-HNNXBMFYSA-N 269.392 3.667 30 20 CHED CCc1ccc(C)nc1NCc1cccc(F)c1C#N 1658550716 XZHAEGAYEMEVFS-UHFFFAOYSA-N 269.323 3.575 30 20 CHED Cc1csc(NC(=O)N[C@H]2CCC(C)(C)C2)c1C#N 1677351310 GOINFXBMMCLFHE-JTQLQIEISA-N 277.393 3.628 30 20 CHED CC(=NNCC(C)C)c1sc2ccccc2c1C(=O)O 1776052825 VORPPINSGDVYNY-UHFFFAOYSA-N 290.388 3.569 30 20 CHED C[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2)cc1 3385070 UEDKASTZFCFRED-GFCCVEGCSA-N 267.284 3.548 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2cc3ccccc3[nH]2)c1 11831164 ATXARIZVWNLRFO-UHFFFAOYSA-N 294.285 3.536 30 20 CHED CCCCCCCOc1ccc(C(=O)O)cc1[N+](=O)[O-] 14980571 VARRQJYVGSIUHU-UHFFFAOYSA-N 281.308 3.642 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 18078360 BXIYYOPYULRLMI-UHFFFAOYSA-N 287.322 3.601 30 20 CHED CSc1ccc(OC(=O)CCc2ccc(C#N)cc2)cc1 24697911 BRDLUESQPJSLIC-UHFFFAOYSA-N 297.379 3.818 30 20 CHED CC(C)SCC(=O)Nc1ccc(C(C)(C)C#N)cc1 25440519 FBYBDGRZPKVHJG-UHFFFAOYSA-N 276.405 3.568 30 20 CHED C=CCN(CC=C)C(=O)/C=C\c1ccc(Cl)cc1 33412755 GDOUIYNWSHFJPP-YFHOEESVSA-N 261.752 3.554 30 20 CHED Cc1cccc(CC[C@@H](C)NCc2cccc(C#N)c2)c1 40500811 BCSFATBLZKNAAY-MRXNPFEDSA-N 278.399 3.978 30 20 CHED CCN(Cc1ccccc1C#N)c1cccc(F)c1 44349931 LUICNADJIKNJOX-UHFFFAOYSA-N 254.308 3.724 30 20 CHED CN(Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 46602527 YOSUNUGKNTUXGQ-UHFFFAOYSA-N 262.356 3.819 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)s1 50225279 UGGHXTAEDBFHTF-CYBMUJFWSA-N 286.400 3.810 30 20 CHED N#CCCCN1CCC[C@H]1c1cccc(Br)c1 52213982 FJPUTTGBJJTLGY-AWEZNQCLSA-N 293.208 3.890 30 20 CHED CCCCCCCC(=O)Nc1cccc(F)c1C(=O)O 59265934 LQMQPONLHINDJZ-UHFFFAOYSA-N 281.327 3.823 30 20 CHED COc1ccc(COc2cc(Cl)ccc2C#N)cc1 62790192 QDRJNZLPCKIXGY-UHFFFAOYSA-N 273.719 3.799 30 20 CHED N#Cc1cnc2ccccc2c1NCc1ccsc1 63146654 ZLYHJRPTGZILHR-UHFFFAOYSA-N 265.341 3.780 30 20 CHED Cc1ncc(CSCCOc2ccccc2C#N)s1 68953772 XTGDWWLZQWAUBY-UHFFFAOYSA-N 290.413 3.635 30 20 CHED N#Cc1ccc(OCCSc2ccc(Cl)cn2)cc1 70211170 WWVWHEJCSNSCNV-UHFFFAOYSA-N 290.775 3.778 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 72614293 RJUKSXHUAWJFCZ-AATRIKPKSA-N 273.313 3.861 30 20 CHED C=CCCOC(=O)c1cc(NC(=O)C(C)C)ccc1Cl 76872522 PPIRFVJPRXNGGW-UHFFFAOYSA-N 295.766 3.667 30 20 CHED C=CCOCCCC(=O)Nc1ccc(OCC)c(Cl)c1 79627647 ZSBUFNHDDIFJAM-UHFFFAOYSA-N 297.782 3.660 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)CCc1cccc(F)c1 79867000 HDXLVQITGINCIM-AWEZNQCLSA-N 290.382 3.545 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C#N)cs1 84113838 ZWSYPRKEWIQHCX-OAHLLOKOSA-N 298.411 3.713 30 20 CHED C[C@H]1C[C@H](NCc2ccc(OCC#N)cc2)CC[C@H]1C 85055013 KCPXWBQZMDVBHF-IJEWVQPXSA-N 272.392 3.503 30 20 CHED C=CCCCCCN(C)Cc1cn(C)nc1-c1ccncc1 93498058 NYZLBWVJKPHGIP-UHFFFAOYSA-N 298.434 3.660 30 20 CHED CCC(C)(C)[C@H]1CCCN1Cc1cnc2ccc(C#N)cn12 93809437 PASZLLIOHAHQRZ-MRXNPFEDSA-N 296.418 3.607 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cccc(Cl)c2)c1 103033057 AILJSUKMHRIRML-UHFFFAOYSA-N 269.731 3.598 30 20 CHED COCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1 107098999 AAPONYUJRVXFJW-FMIVXFBMSA-N 282.339 3.608 30 20 CHED C=CC[C@@H](C)NC(=O)N(CCC)CCc1cccc(F)c1 116972411 ZQUZZOSUQNAYHW-CQSZACIVSA-N 292.398 3.754 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1 124525409 ACFCKGBGLAZORG-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC[C@H](C#N)Sc1nccn1-c1ccc(C)c(C)c1 127240324 HUFOPGDTKFPDIQ-CQSZACIVSA-N 271.389 3.883 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(C#N)CCC1 128209743 PZPLBCISWRCAED-UHFFFAOYSA-N 297.185 3.646 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(F)cc1Br 129785413 LEOQSFXQWIKNDH-MRVPVSSYSA-N 292.579 3.991 30 20 CHED C[C@@H](C(=O)Nc1sccc1C#N)c1c(F)cccc1F 134095615 SFIFUEQHSBBLIO-MRVPVSSYSA-N 292.310 3.640 30 20 CHED CC(C)(CCC#N)CNCCc1c[nH]c2ccccc12 135123570 WQEDVUBCJYXXOS-UHFFFAOYSA-N 269.392 3.630 30 20 CHED N#Cc1cc(NC(=O)c2cc(F)cc(F)c2)ccc1Cl 139922738 SDGFDKLDBUWSTO-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#CCCN1CCC[C@H]1c1cccc2ccccc12 142748733 HMSDJPWMNIWQFJ-KRWDZBQOSA-N 250.345 3.890 30 20 CHED C=CCCOCC(=O)N[C@@H](CC)c1cccc(Cl)c1 146783704 QNSCXWMXPPGGAR-AWEZNQCLSA-N 281.783 3.500 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Cc1ccccc1Cl 151717763 QNTXNXUXZSUBRX-MLGOLLRUSA-N 292.810 3.573 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cc(C)c(F)c(C)c2)n1 153121073 MRQCSSBTISKRKE-GFCCVEGCSA-N 288.347 3.698 30 20 CHED N#CCC[C@@H](NC(=O)c1ccccc1F)c1ccccc1 153453506 YIEVSSIXUNKXMB-MRXNPFEDSA-N 282.318 3.601 30 20 CHED CCC[C@@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 155440333 QQLUNIOODJBSIU-NEPJUHHUSA-N 269.348 3.565 30 20 CHED CC(C(=O)[C@@H](C#N)c1nc2ccccc2n1C)=C1CCCC1 161886572 JRRYLOHNOJLMDU-CQSZACIVSA-N 293.370 3.640 30 20 CHED COc1ccc2c(c1)CN([C@@H](C)c1ccc(C#N)cc1)CC2 172450792 DOXFEZXLUVZTLD-AWEZNQCLSA-N 292.382 3.686 30 20 CHED CC/C(=C\C(=O)N1CCC(C#N)CC1)c1ccc(C)cc1 172882308 BRURLBUJRKKGRA-FOWTUZBSSA-N 282.387 3.551 30 20 CHED CCN(C(=O)c1ccc(C)c(F)c1)c1ccc(C#N)cc1 174071531 PWYJYQQQGINIGU-UHFFFAOYSA-N 282.318 3.673 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 174077635 HYRDYFCEINZYSL-HNNXBMFYSA-N 290.794 3.600 30 20 CHED C#CCCOc1ccc(CN[C@@H](CC)c2ccncc2)cc1 174436406 LSEPALJTEXXLEI-IBGZPJMESA-N 294.398 3.725 30 20 CHED C=CCCCC(=O)N1CCc2sccc2[C@@H]1CC 175567220 PXZDLULQZOIXHJ-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED C[C@H](OC(=O)c1cccc(CC#N)c1)c1ccc(C#N)cc1 175800292 VHWZSGNGBSBSKI-ZDUSSCGKSA-N 290.322 3.542 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1F 176171222 SLDMPFYPBJWJMG-UHFFFAOYSA-N 298.317 3.657 30 20 CHED Cc1cccc2c(CCNCc3cc(C#N)cs3)c[nH]c12 177705453 XTSMXKDHCAXSSP-UHFFFAOYSA-N 295.411 3.742 30 20 CHED CC/C=C(\C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 177778955 FOOQHYOFFOKLHS-CDCCAWJDSA-N 262.378 3.799 30 20 CHED CCOc1ccc([C@H](C)NCCCCC#N)cc1OCC 178531537 NFWFYKILJMRJDD-AWEZNQCLSA-N 290.407 3.828 30 20 CHED O=C1/C(=C\c2ccc(O)cc2)CSc2c(F)cccc21 178576714 IPBXZOLWOOZDRO-FLIBITNWSA-N 286.327 3.903 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cnc3ccccn13)CC2 179072072 WCPUIDPNDJYZBF-RVDMUPIBSA-N 288.350 3.855 30 20 CHED C=CCSCCNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 179378557 BCWUHIXBJXHLLN-LBPRGKRZSA-N 297.851 3.554 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccnc1C(F)(F)F 179791674 CPIGGTITNSZJFL-JTQLQIEISA-N 286.297 3.575 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@H](C)[C@H]2C)c1 179824555 DKKQRGWQOLIEHY-UONOGXRCSA-N 288.391 3.904 30 20 CHED COc1ccc(CNc2cccc(C#N)c2C)cc1F 181453338 OQIVGQSUGZTIFI-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C#CCCCCC(=O)N(CC(C)(C)C)CC(F)(F)F 182798678 FOWSWGZNDCPNBG-UHFFFAOYSA-N 277.330 3.617 30 20 CHED C=CCN(CC=C)Cc1cn(C)nc1C1CCCCC1 182938963 LLSQIOYEDQVSJW-UHFFFAOYSA-N 273.424 3.642 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 184627060 PXYJOGZPQIMVCW-NSHDSACASA-N 294.361 3.961 30 20 CHED C#CCC(C)(C)C(=O)NC[C@H](c1ccccc1)C(C)C 185040460 JFESPHJMGHVKHN-INIZCTEOSA-N 271.404 3.592 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 185365045 YDRZDIRTVYQMID-CQSZACIVSA-N 287.403 3.767 30 20 CHED Oc1cccc(SCC#Cc2ccc(F)cc2)c1 185704292 LFWREOASEPMCLQ-UHFFFAOYSA-N 258.317 3.675 30 20 CHED Fc1cc(Cl)ccc1CO/N=C1/CCCOCC1 186781428 FGOFMVAPALCODZ-VBKFSLOCSA-N 271.719 3.552 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1nc2ccccc2n1CC 188311321 ZLZAMYLPIOLMCD-UGSOOPFHSA-N 299.418 3.836 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cc(OC)ccc1Cl 188380310 CUKCRYUIZPRVHR-OAHLLOKOSA-N 297.782 3.516 30 20 CHED FC(F)C(F)(F)CNCc1ccc(C(F)(F)F)cc1 191777654 KSGFHCQWOGYBEV-UHFFFAOYSA-N 289.194 3.695 30 20 CHED C=CCC1(C(=O)N2CCCN(C)c3ccccc32)CCC1 191903827 WYUKWFMQBOFSQS-UHFFFAOYSA-N 284.403 3.606 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@]1(CCC)COC 192754831 IFCXFWMTTJBBCB-KRWDZBQOSA-N 279.424 3.563 30 20 CHED CC(C)CCSc1ccc([N+](=O)[O-])cc1C#N 230921284 KBPWHSKHPCWESI-UHFFFAOYSA-N 250.323 3.605 30 20 CHED CS[C@H]1CCC[C@H](Nc2nccc(C#N)c2Cl)C1 235238172 ILXQVRWNKGSCFF-QWRGUYRKSA-N 281.812 3.693 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)[C@H]1c1ccccc1 245416493 FFBAOURQHBVIBV-RDTXWAMCSA-N 262.356 3.751 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cccc(C#N)c1 246097237 AWMMEAWGHFSBIQ-XNRPHZJLSA-N 283.375 3.743 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCOC2(CCCC2)C1 246727813 GBMIYXDTAVXKKF-KKUMJFAQSA-N 251.414 3.669 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H](C)c1ccccc1 248941583 YVLSJZDNWADSRB-LJIGWXMPSA-N 256.393 3.851 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1c(F)cccc1F 249876312 LTOFEZBRFRZRFN-GHMZBOCLSA-N 252.308 3.507 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1ccncc1 254948913 PRSMMFVQPSTYTK-WAYWQWQTSA-N 275.254 3.579 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(CC#N)cc1 270421996 USBXKPQMQJJRNP-PBHICJAKSA-N 284.403 3.793 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(OCC#N)cc1 271419066 QRXLYAAEOWDFFC-GOSISDBHSA-N 295.386 3.567 30 20 CHED C=CCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1 271501853 KRZZEGJXQAGOOL-UHFFFAOYSA-N 270.159 3.784 30 20 CHED CC(C)N(CCC(C)(C)C#N)Cc1ccc([N+](=O)[O-])cc1 271996940 GIQBIUXWYVVMBC-UHFFFAOYSA-N 289.379 3.745 30 20 CHED C[C@H](CCN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 274209154 MZHBSBRGNQODRM-INMHGKMJSA-N 256.393 3.852 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)C[C@H](C)C#N)CC2 275336445 GSUHPPXEZXZRKV-CXAGYDPISA-N 299.418 3.598 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 276113053 DKFGIPUQEGPHMA-MRXNPFEDSA-N 290.382 3.803 30 20 CHED CC[C@H](NCc1cccc2c1OCO2)c1ccc(C#N)cc1 278218405 IPEHNTVKNSUQHX-INIZCTEOSA-N 294.354 3.528 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1N1CCCCC1 278246068 MBWJRRRNYYQBJV-UHFFFAOYSA-N 285.391 3.555 30 20 CHED CC[C@H](N[C@@H](CCOC)c1ccco1)c1ccc(C#N)cc1 278705118 LFHVYNIKQLYQMJ-IRXDYDNUSA-N 298.386 3.970 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C#N)cc(C)c1Cl 282898036 BTZKJDHKXCNGGK-UHFFFAOYSA-N 264.756 3.835 30 20 CHED C=C(C)CCN[C@H](c1cncc(Br)c1)C1CC1 284818454 PRTKRAUQPAEPIO-AWEZNQCLSA-N 295.224 3.851 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)c([C@H](C)O)c1 286291544 ITFPQBBXYJHEHK-NSHDSACASA-N 277.339 3.586 30 20 CHED Cc1cc(C)cc(NC(=O)CSCCC(C)(C)C#N)c1 289341837 FIKDLWHAZUTWRJ-UHFFFAOYSA-N 290.432 3.915 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 289689824 ICHOQUDSSIVFSB-COXVUDFISA-N 284.403 3.509 30 20 CHED CCC(CC)N(CC)C(=O)Nc1cccc(C#N)c1 289845061 UNEGASGHPDFBCP-UHFFFAOYSA-N 259.353 3.601 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(F)cc1F 292113679 BADXYEBHLLTKMD-JTQLQIEISA-N 267.319 3.744 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1nccn1-c1ccccc1 292245010 DXELZQDFXVIENT-CQSZACIVSA-N 297.402 3.652 30 20 CHED Cc1nc(S[C@H](C)c2cccc(C#N)c2)[nH]c1C 292546810 BRCGRUYFMGIGTE-LLVKDONJSA-N 257.362 3.752 30 20 CHED C=C(C)CCc1noc([C@H]2CCCCC2(F)F)n1 296733079 JAZMQVPNAGAQAU-SNVBAGLBSA-N 256.296 3.871 30 20 CHED C[C@H]1CCC[C@@H](N(C)c2snc(Cl)c2C#N)C1 301124102 VGGHRKPUBPECAM-DTWKUNHWSA-N 269.801 3.683 30 20 CHED N#Cc1c(F)cccc1N[C@@H](CCCO)c1ccccc1 301382003 YYRMHHOVNGGXGH-INIZCTEOSA-N 284.334 3.623 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 301421571 FGLDHFQJPLJNJT-AEFFLSMTSA-N 291.398 3.973 30 20 CHED CCO[C@H]1C[C@@H](N(C)c2cccc(C#N)n2)C12CCCCC2 301843162 KLBXOFWIYARDLA-CVEARBPZSA-N 299.418 3.517 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1ccc(F)c(C#N)c1 303513840 CVCFIVYBJBRSIL-NSHDSACASA-N 274.339 3.852 30 20 CHED CC(C)(NCc1cc(C#N)ccc1F)c1ccccc1 312374135 IRMJDVBKKUHJKI-UHFFFAOYSA-N 268.335 3.722 30 20 CHED CC1(C)C[C@@H](/N=C(/O)[C@H]2CCCC(O)=N2)c2ccccc21 328811071 OMJZVXPISVJMJD-ZIAGYGMSSA-N 286.375 3.875 30 20 CHED C[C@H](/N=C(/O)Nc1scnc1C1CC1)C1CCCC1 328907503 CEVJJVFOGPNJAJ-VIFPVBQESA-N 279.409 3.925 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CCCCC23CCCC3)s1 329641281 XQDHNXOPTJPHQO-AWEZNQCLSA-N 288.416 3.853 30 20 CHED O/C(=N/C1CCC2(CC1)CC2)c1cnc2ccccc2n1 329908857 UPJONJPSSGWRIE-UHFFFAOYSA-N 281.359 3.657 30 20 CHED Cc1oc2ccc(N/C(O)=N/C3CCC3)cc2c1C 330150724 NHVPQVPDPWGVHI-UHFFFAOYSA-N 258.321 3.928 30 20 CHED CC[C@@H]1OCCC[C@H]1C(O)=Nc1scnc1C1CC1 330250283 MXVJNVPPJUBMKL-MNOVXSKESA-N 280.393 3.814 30 20 CHED N#C[C@H]1CCC[C@H]1NC(=O)CCCC1CCCCC1 331121535 XLHZRFGETLBNCB-HUUCEWRRSA-N 262.397 3.545 30 20 CHED CCOc1nccc(C)c1/C(O)=N/[C@H](C)C1CCCC1 331200699 AJQRLMSVQBYHDN-GFCCVEGCSA-N 276.380 3.672 30 20 CHED CC(C)[C@H]1CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 334678633 IXVSNINNLSNNOP-OAHLLOKOSA-N 285.391 3.750 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(c3cccc(F)c3F)CC2)C1 335666002 NBOHUYSXZZWQOS-TZMCWYRMSA-N 290.357 3.836 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)[C@@H]1COc2ccccc21 336209903 MMIQZTZVUJMBAV-QBPRILJRSA-N 284.403 3.613 30 20 CHED C=CCCN[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 338571170 OUADVYZVROMCEE-MRXNPFEDSA-N 275.392 3.544 30 20 CHED N#Cc1ccc(CNCc2coc3ccccc23)s1 339413622 XGDVYIUZAIYULP-UHFFFAOYSA-N 268.341 3.656 30 20 CHED C=C(CC)CSCC(=O)Nc1cc(C)nn1C(C)(C)C 341991899 DJLNTOFIAPVNOS-UHFFFAOYSA-N 295.452 3.584 30 20 CHED Cc1ccc([C@@H]2CCCN2c2ccnc(C#N)c2)s1 342406910 LHUKGARFJGMUSU-AWEZNQCLSA-N 269.373 3.665 30 20 CHED C=CCCOCCCCC(=O)NCc1cccc(Cl)c1 342615170 GKHAZTQBEDYGSJ-UHFFFAOYSA-N 295.810 3.719 30 20 CHED C=CCC1(C(=O)N(C)C2CCC(F)(F)CC2)CCC1 345917145 QETRWKPVVDDSHJ-UHFFFAOYSA-N 271.351 3.769 30 20 CHED Cc1ccccc1CN(CCC#N)Cc1ccccc1 346797864 NPOCYNUCFDYMBT-UHFFFAOYSA-N 264.372 3.911 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(F)c(C)c1 346891142 GFJCUOQIEQEVPB-UHFFFAOYSA-N 297.333 3.690 30 20 CHED Cc1ccc(-c2noc(-c3cc(C#N)oc3C)n2)c(F)c1 346925371 BCONLSQAEYIABT-UHFFFAOYSA-N 283.262 3.624 30 20 CHED CC[C@@](C)(C#N)c1nc(C2CCC(C)(C)CC2)no1 347482918 MANFJVUQMSUNKF-HNNXBMFYSA-N 261.369 3.945 30 20 CHED COC[C@H](NCC(C)(C)CCC#N)c1ccc(F)c(F)c1 348202954 BOOLEWMCNHDXBJ-HNNXBMFYSA-N 296.361 3.572 30 20 CHED N#CC[C@@H](CC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 355464691 MHAYWYMXAXUDOO-LEUOFYLZSA-N 296.414 3.626 30 20 CHED C=CCCC1(C(=O)N2CC=C(c3cccc(OC)c3)C2)CC1 356728077 JHVAIXFUUSLYHN-UHFFFAOYSA-N 297.398 3.667 30 20 CHED CCN(CCNc1ccc(C#N)cc1C(F)(F)F)C(C)C 357266111 UPRHCMCUQSCQQB-UHFFFAOYSA-N 299.340 3.719 30 20 CHED C=CCn1cccc1C(=O)NCc1ccc(C2CC2)cc1F 358924288 ZEKAYTJQKITAFE-UHFFFAOYSA-N 298.361 3.621 30 20 CHED CC(C)(CCC#N)CNc1cc2c(cn1)CCCC2 361249311 FNQSHLKSPKFQEJ-UHFFFAOYSA-N 257.381 3.702 30 20 CHED C#CCCCCC(=O)N1CCC(C2CCCC2)CC1 362026490 WFEMJBMXKCWCAJ-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CC(C)(C#N)CCCCN1CC[C@H](Nc2ccccc2)C1 364357259 UUTQGAJLCKSLSJ-KRWDZBQOSA-N 285.435 3.893 30 20 CHED C=CCC[C@H](CC)N[C@@H](c1ccccc1)c1cnn(C)c1 366673818 FDNFPDWMCGNBOQ-ROUUACIJSA-N 283.419 3.844 30 20 CHED N#CCCC1CCN(Cc2nc3ccccc3s2)CC1 399327177 KWULGBFSCGJPSJ-UHFFFAOYSA-N 285.416 3.812 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(C#N)c(F)c2)o1 404771504 WZBOXOBEIHNSMQ-NHYWBVRUSA-N 284.334 3.704 30 20 CHED C=CC[C@H](CC)NC(=O)c1nc(-c2ccccc2)oc1C 410131382 RBDDKGNKFLNWCA-AWEZNQCLSA-N 284.359 3.735 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412136409 NRVZIOQYZAUBOT-IDCJVQTKSA-N 296.414 3.699 30 20 CHED C=CCCC1(C(=O)NC[C@@H](CC)CC(F)(F)F)CC1 412644115 CCJWRCBUVMECJP-NSHDSACASA-N 277.330 3.828 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)C1CCOCC1 414303312 NJGJXUSBADTVKU-YJBOKZPZSA-N 273.420 3.579 30 20 CHED CCCN(CC#N)Cc1ccc(C(F)(F)F)c(C)c1 414376468 CODZGLLLWIEIGQ-UHFFFAOYSA-N 270.298 3.749 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc(CNC)c1 415921192 QORLGBLWMDPSEY-UHFFFAOYSA-N 289.423 3.616 30 20 CHED CN(C(=O)CC(C)(C)C#N)[C@@H]1CCC[C@H]1C(C)(C)C 416295277 SZTDEADZNHPELJ-CHWSQXEVSA-N 264.413 3.599 30 20 CHED Cc1cc(C)c2cc(CNCC3(C#N)CCC3)[nH]c2c1 418144037 SCADANQHGZXTKM-UHFFFAOYSA-N 267.376 3.568 30 20 CHED N#Cc1cccc2c1CCN2C(=O)CCCC1CCCC1 421650903 IONGPEHDVHRXSI-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C=CCc1cccc(F)c1OC[C@H]1C[C@H]2CC[C@H]1O2 424097048 DPJSUHORMVMUGZ-UMVBOHGHSA-N 262.324 3.501 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Br 424118280 DCMGZYFFDJRNGZ-GRYCIOLGSA-N 293.208 3.792 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(s1)CCCC2 424328767 OMWIVMDTTCMTIZ-SGMGOOAPSA-N 274.433 3.970 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@H]1C1CCC1 425632298 YZSFNTNIVZHCNM-LSDHHAIUSA-N 290.432 3.634 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCC[C@@H]1C(C)C 436298890 IGYXXTUNUVRMEO-NCOADZHNSA-N 265.441 3.772 30 20 CHED Cc1ccsc1CCCC(=O)NCC#Cc1ccccc1 439031461 ZSDACAOARBBZDZ-UHFFFAOYSA-N 297.423 3.547 30 20 CHED Cc1cc(CNC[C@@H]2CCc3ccccc32)ccc1C#N 443996945 LDXBJXOVUWZHCO-SFHVURJKSA-N 276.383 3.686 30 20 CHED C=CCCCC[C@@H](C)N[C@H](COC)c1ccco1 449178777 UOZMSGXHJXMJQQ-ZIAGYGMSSA-N 251.370 3.692 30 20 CHED Cc1cc(CN2CCC[C@]3(CCSC3)C2)ccc1C#N 449733749 QBTSFRYQQQGVMI-KRWDZBQOSA-N 286.444 3.586 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2c2nccc(C#N)n2)cc1 450369607 QPTRUGBZVMWWRC-PBHICJAKSA-N 292.386 3.634 30 20 CHED C[C@@H](c1ccccc1)N(CC1(C#N)CCC1)C1CC1 450525742 FXARJDWRDBMCRH-AWEZNQCLSA-N 254.377 3.906 30 20 CHED C=CCC[C@H](CO)Nc1ncnc2sc3ccccc3c12 450903643 AZEFBUMUCFCSCI-LLVKDONJSA-N 299.399 3.584 30 20 CHED CCO[C@@H]1CCCC[C@H]1NCC#Cc1ccc(Cl)cc1 452038803 YKWZUGFTAOIHSQ-IAGOWNOFSA-N 291.822 3.629 30 20 CHED C=C(C)CCNC(=O)CCn1ccc2cc(Cl)ccc21 452718255 OYSGTLZLTAMMPC-UHFFFAOYSA-N 290.794 3.767 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1CCSc2ccccc21 452775589 OOTPPKWDXQRPTH-ZDUSSCGKSA-N 275.417 3.594 30 20 CHED C=CC[C@H](C)N[C@H](c1ccc(Cl)cc1)c1nccn1C 453151253 WHZSOJJOCAJGLH-SWLSCSKDSA-N 289.810 3.717 30 20 CHED C=CCC(C)(C)c1noc(C2(C(F)(F)F)CCC2)n1 453180631 BDPVKKAQBSGTCK-UHFFFAOYSA-N 274.286 3.907 30 20 CHED C=C(C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 453323689 SELBKJFMMHLJQV-OAHLLOKOSA-N 260.337 3.528 30 20 CHED C=C(C)CCNC(=O)Nc1cc(Cl)ccc1C 454202950 KQKSYKZSSRABOK-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=CCCCCNC(=O)N(C)CCc1ccccc1C 454812373 MYFJABZOLIZFQN-UHFFFAOYSA-N 274.408 3.535 30 20 CHED C=CCC1(CNC(=O)N(C)Cc2ccoc2)CCCC1 455472655 DVYDJTVVJRZLGZ-UHFFFAOYSA-N 276.380 3.558 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)[C@H](C#N)CCc1ccccc1 457283112 NLUCCAVUIGKFEL-JENIJYKNSA-N 298.430 3.700 30 20 CHED C=CCCCC(=O)Nc1ccc(OC)c(SC)c1 457899249 JJRVAGZWDWOABM-UHFFFAOYSA-N 265.378 3.712 30 20 CHED C=CCC1(CNC(=O)N(C)[C@@H](C)CC)CCCC1 459045956 FNIBYMLETXELBA-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 465110635 QPDINAKYXSLLHL-UWJYBYFXSA-N 284.186 3.788 30 20 CHED CCC[C@]1(C)CCCN(C(=O)NCC#Cc2ccccc2)C1 465568138 PDKKMTRGYKCJFU-LJQANCHMSA-N 298.430 3.650 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(C#N)cc1 466543468 UUGPWMCFLMKZKW-CQSZACIVSA-N 271.364 3.649 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@H]1CCC(C)C 467015550 SAMPNCXTEZVWGY-GJZGRUSLSA-N 266.429 3.809 30 20 CHED CC#CCCCC(=O)Nc1ccc(Nc2ccccc2)nc1 467117556 RGPKYYDTSVHIDH-UHFFFAOYSA-N 293.370 3.957 30 20 CHED CC(C)[C@H]1CCC[C@@H]1NCCc1cccc(C#N)c1 467453147 KBLFDBFKYHUQTF-SJORKVTESA-N 256.393 3.515 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)c(C(=O)OCC)s1 467852932 QRCFNWTTZFDKKV-HNNXBMFYSA-N 295.404 3.774 30 20 CHED C=CCCCNC(=O)[C@@H](C)Sc1ccc(C)cc1 468383357 ODSYDBVKCNCRIZ-CYBMUJFWSA-N 263.406 3.558 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1ccc(CC#N)cc1 470482607 OQGXRZIWEPFWOO-CQSZACIVSA-N 284.403 3.841 30 20 CHED C=CCOCCCN1CCc2sccc2[C@H]1CC 470718813 XWCHMZCOJDOPDG-CQSZACIVSA-N 265.422 3.650 30 20 CHED C[C@@H]1CN(CCOc2ccccc2C#N)[C@H]1c1ccccc1 471022599 ODUZWJOTYQPWKK-DNVCBOLYSA-N 292.382 3.630 30 20 CHED C=CC1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 471813573 ZVXGAIBDGWTKOA-UHFFFAOYSA-N 287.281 3.645 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(OC)cc1F 473844356 RASDXWWVZZEPRB-UHFFFAOYSA-N 293.382 3.582 30 20 CHED C=CCCCCNC(=O)C1(Cc2ccc(F)cc2)CC1 474187357 DCSZELUKGFMGRO-UHFFFAOYSA-N 275.367 3.621 30 20 CHED CCC[C@](C)(CC)C(=O)NCc1cc(C#N)ccc1F 476118179 BJTQMFXHQUGOHF-INIZCTEOSA-N 276.355 3.530 30 20 CHED C=CCC1(C(=O)NC[C@H](CC(C)C)N(CC)CC)CCC1 479106328 IJFYQGJJUYWMJN-INIZCTEOSA-N 294.483 3.606 30 20 CHED C=CC[C@H](C)NC(=O)NCC1(c2ccccc2Cl)CC1 480284354 DFPHUWXADNMIBJ-LBPRGKRZSA-N 292.810 3.635 30 20 CHED CC#CCNC(=O)Nc1ccc(Oc2ccccc2)cc1 483889849 SBXJOQSSNSVKTN-UHFFFAOYSA-N 280.327 3.624 30 20 CHED C[C@@H]1CCC[C@H](Cn2nc(C#N)c3ccccc32)C1 484480668 QPUZTGPIFGSAMV-OLZOCXBDSA-N 253.349 3.734 30 20 CHED N#Cc1cccnc1/C=C/c1ccc(Br)cc1 486053965 URDOZEOKOANONG-VMPITWQZSA-N 285.144 3.886 30 20 CHED Cc1ccc2sc(C(=O)N[C@@H](C#N)C(C)C)c(C)c2c1 486141925 FEONXZHPQRXBFM-ZDUSSCGKSA-N 286.400 3.796 30 20 CHED C=CCN(CCc1ccco1)c1cccc(F)c1C#N 486604061 LIZVTLUHPUMBPO-UHFFFAOYSA-N 270.307 3.525 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1sccc1C1CC1 488842073 SBRTYXFOYCLICB-GFCCVEGCSA-N 261.390 3.806 30 20 CHED C=CC[C@@H](CO)CNC(c1ccccc1)c1ccccc1 495051666 SNNOYROVLHRHCN-MRXNPFEDSA-N 281.399 3.550 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)Cc1c(F)cccc1C#N 505097820 GWZSYEATCNNLMH-UHFFFAOYSA-N 290.382 3.571 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1nc2c(cc1C#N)CCC2 511714456 VDBDXDKCDUBIPZ-GOSISDBHSA-N 289.382 3.850 30 20 CHED C=C(CNC(=O)N1CC[C@@](C)(CC)C1)c1ccccc1 512684109 DAPXDYOTOOWRMK-QGZVFWFLSA-N 272.392 3.531 30 20 CHED CCCCC/C(=C\c1ccccc1)CN1CCO[C@H](C#N)C1 513689662 DZCLAPRONOJCEU-HJDVLLJCSA-N 298.430 3.875 30 20 CHED C=CCOc1cccc(-c2nc3c(F)cccc3n2C)c1 513865448 GBHNLLREJCQGSM-UHFFFAOYSA-N 282.318 3.944 30 20 CHED CC[C@@](C)(C#N)NC(=O)C[C@@H](C)CCC=C(C)C 514938336 GZVCPDHDLKQPAX-ZFWWWQNUSA-N 250.386 3.567 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1c1ccc(C#N)c([N+](=O)[O-])c1 515445664 SAELSWNPTMGYPC-IUODEOHRSA-N 287.363 3.871 30 20 CHED C=CCCC[C@H](C)NCCC(=O)Nc1cccc(F)c1C 521228158 NLCHJJDPYPUBKN-ZDUSSCGKSA-N 292.398 3.797 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)c1cccc(Cl)c1 525647425 LVVYNASJZUZWGI-GFCCVEGCSA-N 263.768 3.644 30 20 CHED CCc1cccc(NC(=O)c2ccc(CC#N)cc2)c1 535330553 RDEXUEFKKDWWLD-UHFFFAOYSA-N 264.328 3.567 30 20 CHED CC(C)N(CCC#N)Cc1cnc(-c2cccs2)s1 535795482 CAZNWFRISBPKPO-UHFFFAOYSA-N 291.445 3.996 30 20 CHED N#CCc1ccnc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 535908551 ADRVPLGPIWXWJV-ARFHVFGLSA-N 297.402 3.693 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccccc1NC1CCCCC1 537263087 HTKIKSQGRSSTLZ-CQSZACIVSA-N 299.418 3.853 30 20 CHED C=C(C)COc1cc(CN2CC[C@H](CC)C2)ccc1OC 537688313 SQSUMTGRBWMNOE-HNNXBMFYSA-N 289.419 3.882 30 20 CHED C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1C 541658978 UHSOIYOPZVUNPK-GYSYKLTISA-N 290.794 3.766 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1ccc(C)o1)C1CCCC1 541776884 NTCBLVVVZUQWDY-WMLDXEAASA-N 277.408 3.594 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@@H]2Cc2ccccc2)c1 543434821 NGIKVXBLBCPTKS-PKOBYXMFSA-N 290.366 3.804 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)c2c(C)cccc2C)CC1 544869985 AHSQCLKKLUAVDX-HNNXBMFYSA-N 286.419 3.972 30 20 CHED CC(C)c1ccc(C[S@@](=O)CCC(C)(C)C#N)cc1 548134715 PPBZVJHXDDIWKP-IBGZPJMESA-N 277.433 3.999 30 20 CHED C=CCC(C)(C)c1noc([C@@H](c2ccccc2)N(C)C)n1 551497433 YQCNDUTYLSOHGF-CQSZACIVSA-N 285.391 3.574 30 20 CHED Cc1nsc(N2CCC(C)(c3ccccc3)CC2)c1C#N 553175049 RKOZOVGHYSZOJN-UHFFFAOYSA-N 297.427 3.881 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Oc2ccccc2)cn1 554616079 XGXXPMLYDVDNKJ-CQSZACIVSA-N 296.370 3.958 30 20 CHED C=CCOCCN1Cc2ccccc2[C@@H](c2ccccc2)C1 555301002 REKQHSYRTFIQIN-HXUWFJFHSA-N 293.410 3.837 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC=CC[C@H]1C 556375679 LRBPSSJPASURCL-CRAIPNDOSA-N 296.414 3.899 30 20 CHED CC(C)(c1noc(Cc2c(F)cccc2C#N)n1)C1CCC1 556435386 BRSCLHMLAJLWBO-UHFFFAOYSA-N 299.349 3.749 30 20 CHED C=C[C@](C)(CC)c1nc(C2Cc3ccccc3C2)no1 561889896 XSSRMYAEXDWECW-QGZVFWFLSA-N 268.360 3.806 30 20 CHED CC(C)n1ncc2cc(CSCC3(C#N)CC3)cnc21 562824046 ZPBCDRYISUZWQH-UHFFFAOYSA-N 286.404 3.549 30 20 CHED CCC[C@@]1(C(F)(F)F)CCCN1Cc1ccc(C#N)cn1 565156557 IWDXFRVIJXROKS-AWEZNQCLSA-N 297.324 3.650 30 20 CHED Cc1cc(N2CC=C(c3ccc(F)cc3)CC2)cc(C#N)n1 572488225 AGLKZNLAMGKSQC-UHFFFAOYSA-N 293.345 3.695 30 20 CHED CC(C)CNc1ccc(Oc2ccnc(C#N)c2)cc1 574680129 ULGRDQRMSHNLDO-UHFFFAOYSA-N 267.332 3.813 30 20 CHED CC[C@@H](CC#N)NCCc1cc(Cl)cc(Cl)c1 574820169 LSJNROOXPVEVEN-ZDUSSCGKSA-N 271.191 3.818 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@H]1C[C@H]3CC[C@H]1C3)CC2 577090315 LPWHTLMZBKVQRQ-PTOXDTDZSA-N 266.388 3.571 30 20 CHED Cc1cn(C[C@H](OC(C)C)c2ccccc2)cc1C#N 580928895 VISAPYJUNYRXMV-KRWDZBQOSA-N 268.360 3.835 30 20 CHED Cc1cc(CN2CCC3(CCC3)CC2)ccc1C#N 586783398 VDEOFBLKSYOLIE-UHFFFAOYSA-N 254.377 3.633 30 20 CHED Cc1ccc(C#N)nc1N(C)Cc1ccc(Cl)s1 589103816 MXGHBSZSRSWWRW-UHFFFAOYSA-N 277.780 3.613 30 20 CHED CC(F)(F)c1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 589990102 LRADURYJLNDFHU-HNNXBMFYSA-N 292.329 3.564 30 20 CHED N#CC1(CSc2ncc(-c3ccccc3)[nH]2)CCC1 590721718 ODGSVEOKGCOXJM-UHFFFAOYSA-N 269.373 3.863 30 20 CHED C=CCn1c(S[C@H](C)C(C)C)nnc1-c1ccco1 591039200 KCUHGZZWESNTPM-LLVKDONJSA-N 277.393 3.861 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(CC#N)cc1 592391655 VMBJJGRPBIMSJJ-ORAYPTAESA-N 294.373 3.915 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 593158561 XQOAPFUMHCNHCQ-CYGHRXIMSA-N 294.398 3.532 30 20 CHED N#CCc1cccc(NCc2cccc3c2CCC3)c1 593635807 SDTKQUUTPGKISW-UHFFFAOYSA-N 262.356 3.853 30 20 CHED CC[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)C(C)C 593703426 UXROMLBOJHXJFO-LJQANCHMSA-N 299.462 3.547 30 20 CHED COC1([C@H](C)Nc2cccc(OCCCC#N)c2)CCC1 595023341 PINDUTDCVPRSJN-AWEZNQCLSA-N 288.391 3.739 30 20 CHED C=CCCSCCN[C@@H](C)Cc1ccccc1OC 595059389 NHJNLUCJFHXVRS-AWEZNQCLSA-N 279.449 3.525 30 20 CHED N#CCCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1 595551953 LUBACMQEOKHJRN-UHFFFAOYSA-N 296.418 3.511 30 20 CHED COc1cccc2c(N3CCC[C@H](CC#N)C3)cc(C)nc12 596327742 BHVQGRPINVMHBF-CQSZACIVSA-N 295.386 3.682 30 20 CHED C=CCCSCCNC(=O)Nc1cccc(OCC)c1 596694488 JAQVFUJAXAVBHJ-UHFFFAOYSA-N 294.420 3.516 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(F)cc2C#N)C1 596785929 WDOPAISAHKNDEQ-VXGBXAGGSA-N 289.354 3.740 30 20 CHED CN(C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1cccc(C#N)c1 596930091 GRIVZGJXNYSSDE-FVQHAEBGSA-N 282.387 3.737 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)CC1(C#N)CCCCC1 597138984 VXZRIOPCRZCQOD-OKILXGFUSA-N 262.397 3.640 30 20 CHED N#CC1(CC(=O)NC2(Cc3ccccc3)CC2)CCCCC1 597527091 PFWYAPHIADWNJT-UHFFFAOYSA-N 296.414 3.742 30 20 CHED C=CCC1(C(=O)NCCc2ccc(C#N)cc2)CCCCC1 597893122 BGXFLJMRKYIUPD-UHFFFAOYSA-N 296.414 3.744 30 20 CHED CC[C@](C)(C#N)NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 598897166 XKIUGOFKCPTGFB-OAHLLOKOSA-N 289.766 3.552 30 20 CHED N#C[C@@H](SCCCCS[C@H](C#N)C1CC1)C1CC1 601080873 HVRSYTZZCGITJY-ZIAGYGMSSA-N 280.462 3.837 30 20 CHED C[C@@H](CCC#N)CNCCCSc1ccc(F)cc1 602498330 IEHKCFPCVVJEGX-ZDUSSCGKSA-N 280.412 3.837 30 20 CHED C[C@@H](CCC#N)CNCc1cc2c(s1)CCCC2 602526807 GJPSZMVAUMZOCO-LBPRGKRZSA-N 262.422 3.656 30 20 CHED CCc1ccc([C@@H]2CN(C[C@@H](C)CCC#N)CCO2)cc1 602635879 VISPCJRIGQEGBS-YJBOKZPZSA-N 286.419 3.562 30 20 CHED CC[C@H](C)NC(=O)c1ccc(NC[C@@H](C)CCC#N)cc1 602644204 ANHPMZHUCFCLDG-KBPBESRZSA-N 287.407 3.567 30 20 CHED C[C@@H](CCC#N)CN[C@H]1C[C@H](c2ccc(F)cc2)C1 602672274 YEFWASVJRDWPIN-NOLJZWGESA-N 260.356 3.601 30 20 CHED C[C@H](CC#N)NCCCc1cccc2ccccc12 602865802 ZAJRPRLWNMFUKC-CQSZACIVSA-N 252.361 3.664 30 20 CHED CC(C)(C#N)CCCn1cc(-c2ccc3c(c2)CCC3)nn1 603262191 ZVKRZECCNUQCNZ-UHFFFAOYSA-N 294.402 3.764 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2c(cnn2C(C)C)c1 605043143 YLXUCQKJMCGGPQ-LBPRGKRZSA-N 286.379 3.703 30 20 CHED C=CCCCNc1ccc(Oc2ccc(C)nn2)cc1 608016026 SHFXKWFMVRWKBA-UHFFFAOYSA-N 269.348 3.955 30 20 CHED CCC[C@H](C#N)NC(=O)CCc1ccc2ccccc2c1 608816307 YVIMHIBZDGTZAU-QGZVFWFLSA-N 280.371 3.581 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(CCC#N)Cc1ccccn1 609142778 MDVCCKDMDFWDIK-JKSUJKDBSA-N 299.418 3.540 30 20 CHED C=CCCSCC(=O)N1c2ccccc2CC[C@H]1C 610092513 NMXIEWCLXZQIDB-CYBMUJFWSA-N 275.417 3.664 30 20 CHED C[C@@H](NCc1ccc2c(c1)CCC2)c1cccc(C#N)c1 610344658 DAXNYBCIDRKADN-CQSZACIVSA-N 276.383 3.898 30 20 CHED Cc1ccc(C#N)nc1N(C)Cc1cccc(Cl)c1 611399177 VVFQIBJLVMSUCG-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C[C@@H](CNCC(C)(C)C#N)c1cccc(Cl)c1 615136370 NUCVVQCFJXECFP-NSHDSACASA-N 250.773 3.583 30 20 CHED Cc1cc(CSCc2ccc(C#N)cc2Cl)nn1C 615161816 LVWNPVCZZQSLNS-UHFFFAOYSA-N 291.807 3.687 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(SC)oc1C 615285427 CXTNXIWEGNHPPQ-UHFFFAOYSA-N 267.394 3.642 30 20 CHED CCn1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)c1 616786209 OZCCEDSTFKYTOX-UHFFFAOYSA-N 295.430 3.941 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 617787233 JSVVRQGZWOWDLK-NSHDSACASA-N 281.758 3.907 30 20 CHED N#C[C@H]1CCC[C@@H](NC2(c3ccc(F)cc3)CCC2)C1 618574256 VJUHWELXKXENSU-XJKSGUPXSA-N 272.367 3.877 30 20 CHED C=C[C@@H](Nc1ccc(SC2CCCC2)cc1)C(=O)OC 619700358 UQQCFGZWHTYMSW-OAHLLOKOSA-N 291.416 3.861 30 20 CHED C=CCCn1cc(CN[C@@H]2CCC[C@@H]2CCC(C)C)nn1 653634061 JEWXDHMQZBLWKQ-NVXWUHKLSA-N 290.455 3.549 30 20 CHED C=C[C@H](CC(=O)NC1(C)CC=CC1)c1ccccc1 654012372 YYJSRXGKIKWQQQ-CQSZACIVSA-N 255.361 3.571 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCCc2sccc2C)C1 660984069 GNNMCPWBLPVHQL-CQSZACIVSA-N 292.448 3.597 30 20 CHED C=C(C)CN(C)C(=O)c1cnn(-c2ccccc2)c1C(C)C 679204655 ORYIOTULIRXYDO-UHFFFAOYSA-N 297.402 3.644 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)c2ccco2)CCCC1(C)C 683457603 BELRAXUKFXVDAA-ZFWWWQNUSA-N 275.392 3.976 30 20 CHED C=CCCOCc1nc(-c2oc3ccccc3c2C)no1 683588954 SFSNOPWQEMMDJF-UHFFFAOYSA-N 284.315 3.884 30 20 CHED C#C[C@H](CCC)NC(=O)CCc1ccc(Cl)cc1Cl 704319197 QOSPNVWDLSFUFL-CYBMUJFWSA-N 298.213 3.844 30 20 CHED C#CCN(CC)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727790575 YIBAJOVWCJQCBK-RYUDHWBXSA-N 296.197 3.579 30 20 CHED C[C@@H](CC#N)N(C)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 728873897 BSFGJQHKEHJXCY-ZHZWZMEUSA-N 284.403 3.758 30 20 CHED C=CCCOC(=O)c1ccc(Br)cc1Cl 729072467 KLGVZKLONCATPR-UHFFFAOYSA-N 289.556 3.835 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CCc3ccc(F)cc32)c1 730146838 GXWPFPKQWZIXNW-MWJIIQFGSA-N 285.318 3.646 30 20 CHED N#Cc1ccccc1SCc1ccc(F)cc1C(=O)O 739141867 BDGKLDULIDLGGE-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C[C@H]1CC(Nc2snc(Cl)c2C#N)C[C@H](C)C1 739898752 DXJDIJLBFKFJLR-HTQZYQBOSA-N 269.801 3.905 30 20 CHED CCn1c(C(C)=NNc2ccccc2)nc2ccccc21 741451810 WHMCIBBUOUWVRL-UHFFFAOYSA-N 278.359 3.892 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C(/C)CCC 741639856 QWZYCZPZJNXDOA-BENRWUELSA-N 275.323 3.523 30 20 CHED COc1ccc(/C=C2/Oc3ccccc3C2=O)cc1C 742436834 OECKYPSZVXNBBJ-MHWRWJLKSA-N 266.296 3.620 30 20 CHED C/C(=C\C(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)(C)C 742524957 ULBHNHOAUDZQIU-XSNHNAGMSA-N 270.376 3.728 30 20 CHED COc1ccc(O)c(/C=N/C[C@H](C)Oc2ccc(C)cc2)c1 743042153 HHUSBMDACRUAAG-BXUJETTOSA-N 299.370 3.596 30 20 CHED C[C@H](C/N=C/c1cccc(O)c1O)Sc1ccccc1 743044784 RAINWVOEJADCSB-PBSOMRJOSA-N 287.384 3.698 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2C[C@]2(C)c2ccccc2)c1 743083878 DRMZHOYWTSMTCB-PKOBYXMFSA-N 290.366 3.520 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(O)c([N+](=O)[O-])c1 743449077 MNIFFNWRNODVED-GFCCVEGCSA-N 293.367 3.583 30 20 CHED CC(C)CNN=Cc1c(-c2ccccc2)nc2ccccn12 744762515 VKMXMGGNSLULKV-UHFFFAOYSA-N 292.386 3.581 30 20 CHED C[C@H]1CCC[C@H](C(=O)OCc2ccc(C#N)cc2F)C1 745159634 XPQKHNYMMKCIRR-AAEUAGOBSA-N 275.323 3.567 30 20 CHED CC(=NN=Cc1c(Cl)cccc1Cl)c1cnccn1 745206562 KKBCEUFJDROYRF-UHFFFAOYSA-N 293.157 3.627 30 20 CHED CCOc1cccc(/C=N/[C@@H](C)c2ccc(OC)cc2)c1O 745624966 QOFAZDXBGVXOKZ-HCZVKUGISA-N 299.370 3.980 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@]12CCCc1ccccc12 745720498 STULWAHMLJYHQQ-WMZOPIPTSA-N 270.372 3.790 30 20 CHED C[C@@H]1CCc2c(F)cccc2C1=NOCc1cccnc1 746577508 SBCWIFSYBYRFPW-GFCCVEGCSA-N 284.334 3.724 30 20 CHED C[C@@H](Cc1ccc(F)cc1)C(=O)N(CC#N)c1ccccc1 747652985 NYTHYGOBJVSRKO-AWEZNQCLSA-N 296.345 3.561 30 20 CHED C=CCCCC(=O)OCc1ccc(-n2nc(C)cc2C)cc1 748241204 ZGBCXQOOCXXYIX-UHFFFAOYSA-N 298.386 3.889 30 20 CHED C#CC[C@@H](OC(=O)CCc1c[nH]c2c(C)cccc12)C1CC1 750777074 BIOIGSSASCDULR-QGZVFWFLSA-N 295.382 3.754 30 20 CHED CCCCCCCCNC(=O)c1ccnn1C(C)C 754851559 UIONFVMPGZNTER-UHFFFAOYSA-N 265.401 3.554 30 20 CHED Cc1ccnc(NN=Cc2ccc(F)c(C(F)(F)F)c2)c1 755770667 NYOOKQUNMAUXGC-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CC(C)(C)c1ccc(C=NO[C@H]2CCCCO2)cc1 755813416 GDNWSDPJWKDTNS-HNNXBMFYSA-N 261.365 3.861 30 20 CHED CCC[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N 758122211 OJHVILIHQDAJNA-SECBINFHSA-N 285.265 3.922 30 20 CHED C=C[C@H](CC(=O)N(CCC#N)CC(C)C)c1ccccc1 758773620 CQDMWUHYWWVKLL-MRXNPFEDSA-N 284.403 3.745 30 20 CHED CCCCCCCCC(=O)N(C)CC(C)(C)OC 758860411 HCAFLKWCXJPTRD-UHFFFAOYSA-N 257.418 3.620 30 20 CHED CC(C)(C)CCC(=O)OCc1ccc(F)c(C#N)c1 758951748 FSNIEDAECSSNJS-UHFFFAOYSA-N 263.312 3.567 30 20 CHED Cn1cnc2cc(/C=C/C(=O)c3cc(F)cc(F)c3)ccc21 761206348 UTWXNHGERKOONE-HWKANZROSA-N 298.292 3.748 30 20 CHED C[C@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1(C)C 761224733 AEEAZEZPTSBPTP-LSDHHAIUSA-N 286.419 3.845 30 20 CHED CCS[C@H](C)c1noc(Cc2ccccc2CC#N)n1 762323177 HCTYIMKGOUXSLE-LLVKDONJSA-N 287.388 3.541 30 20 CHED C=CCOc1ccc(COC(=O)C(C2CC2)C2CC2)cc1 763643915 BAHPSKUSEDNKCY-UHFFFAOYSA-N 286.371 3.731 30 20 CHED Cc1ccc(F)cc1C(=O)O[C@@H](C)c1cccc(C#N)c1 764615920 XCZBNIXTBNCXDD-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C#CCOc1ccc(COC(=O)/C=C/c2ccsc2)cc1 765138791 RTXDHMIJZFVHNL-VMPITWQZSA-N 298.363 3.517 30 20 CHED C#CCCOC(=O)CSc1ccc2c3c(cccc13)CC2 765418658 ZEGKIWSJJYSRIG-UHFFFAOYSA-N 296.391 3.597 30 20 CHED C=CC[C@H](N[C@@H](C)c1cncc(F)c1)c1ccncc1 766019493 MCIZFCOAKKPEGH-LRDDRELGSA-N 271.339 3.584 30 20 CHED Fc1cc(F)c(NN=C2CC(C(F)F)C2)cc1F 766024561 FVPJEZORVHCJDP-UHFFFAOYSA-N 264.197 3.547 30 20 CHED C#CCCCSc1nnc(C2CC2)n1-c1ccccc1 766283529 HKSFOKAEQYELEK-UHFFFAOYSA-N 283.400 3.650 30 20 CHED C#CCCCN(Cc1cccs1)CC(F)(F)F 766936664 JRFYXJDUNCZHOT-UHFFFAOYSA-N 261.312 3.526 30 20 CHED C#CCC(C)(C)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 767091531 NUTYBXBZBUQVAQ-RYUDHWBXSA-N 289.341 3.521 30 20 CHED Cc1cc(CNc2ccc(N(C)C)c(C)c2)ccc1C#N 767685353 IEKFYGYVLWSWRV-UHFFFAOYSA-N 279.387 3.853 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cn1)c1occc1C 767749396 USIHWHWBQDRJGE-UHFFFAOYSA-N 283.253 3.838 30 20 CHED C#C[C@@H](CC)OC(=O)c1csc(-c2ccc(F)cc2)n1 768048285 LZZBAIIIBQJPTK-LBPRGKRZSA-N 289.331 3.518 30 20 CHED CCc1noc(C)c1C(C)=NNc1cc(C)ccc1C 769796425 GXQMUEKKDZMTID-UHFFFAOYSA-N 271.364 3.998 30 20 CHED CCC(C=NNc1ccc(F)c([N+](=O)[O-])c1)CC 769828070 CKIUCCQVHBREPN-UHFFFAOYSA-N 253.277 3.568 30 20 CHED CC#CCOC(=O)CCCc1cccc(C(F)(F)F)c1 770426888 OUYJOVCMJUNCKR-UHFFFAOYSA-N 284.277 3.595 30 20 CHED O=C1/C(=C/c2cscc2Cl)Cc2c(O)cccc21 771847086 CXBAZWSKKXDKPR-XBXARRHUSA-N 276.744 3.930 30 20 CHED CC[C@H]1CCCCC1=NNc1nccnc1C(C)C 773078835 PCXMVJGWPHFJDG-LBPRGKRZSA-N 260.385 3.968 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)c(OC)c2)c(O)c1 773144100 XKWPDQUYMSYHBP-TWGQIWQCSA-N 298.338 3.614 30 20 CHED C#CCCCCC(=O)OCc1csc(CCCC)n1 773630973 PPDDTHOBEXVWHU-UHFFFAOYSA-N 279.405 3.723 30 20 CHED CCOc1c(C=NOC2CCCC2)c(C)nn1CC(C)C 774596473 GGEGJHMQSYSJKQ-UHFFFAOYSA-N 293.411 3.539 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1ccc(C)cc1F 775430192 FTRLSBSOGNDAIO-UHFFFAOYSA-N 298.317 3.790 30 20 CHED C#CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 776168246 ANXOGLNCCBSFOD-BEFAXECRSA-N 274.367 3.973 30 20 CHED Fc1ccc(C=NOCCC(F)(F)F)cc1Cl 777459152 NHACOKFMTGLSSM-UHFFFAOYSA-N 269.625 3.782 30 20 CHED C=C(CC)COC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C 780114488 GQWWLNKCXCFLDJ-CQSZACIVSA-N 299.773 3.591 30 20 CHED CC1(C)C[C@H](NN=C2CCc3c(Cl)cccc32)CCO1 780240445 COZQFMOGIJLXNL-LLVKDONJSA-N 292.810 3.538 30 20 CHED CC(=NNc1ccnc(F)c1)c1cc(C)cc(C)c1 781134165 UMDSIJBUEZVXJW-UHFFFAOYSA-N 257.312 3.674 30 20 CHED COc1cccc(NN=C(C)[C@H](OC)c2ccccc2)c1 782179576 OCWCNRULYSEFLQ-KRWDZBQOSA-N 284.359 3.871 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(C)CCCO1 782207212 UQQYTOMRFLMWQP-CYBMUJFWSA-N 297.742 3.605 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)[C@@]1(C)CCCO1 782269977 ZHKRLRXXWPAQDE-CQSZACIVSA-N 277.755 3.569 30 20 CHED CC[C@@H]1CCC[C@H](C=NNC(=S)Nc2cccnc2)C1 783799525 PELMMHMRGSZMIC-OLZOCXBDSA-N 290.436 3.570 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(O)cc1 783880035 CBEVXPQKSWRMDC-UHFFFAOYSA-N 285.734 3.753 30 20 CHED C#CCCCC(=O)Nc1ccc(-c2ccco2)cc1F 785509901 KMYUJEVRIPLTKQ-UHFFFAOYSA-N 271.291 3.828 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H](C)CC2)c1 785836615 ZGDQHXDFFCAVJL-UKRRQHHQSA-N 270.376 3.758 30 20 CHED C[C@@H](NN=C1CCC2(CCCO2)CC1)c1ccccc1 788016706 WMTDVUCZHATHHJ-XPCCGILXSA-N 272.392 3.816 30 20 CHED Clc1c(C=NOC[C@@H]2CCOC2)sc2ccccc12 788034620 UPUUADWPJDUDTC-SNVBAGLBSA-N 295.791 3.942 30 20 CHED C#CCC1(C(=O)NCc2c(C)cccc2F)CCCCC1 788223274 JLXYTBVXEGUDFH-UHFFFAOYSA-N 287.378 3.724 30 20 CHED C=CCCCCCC(C)=NNc1ccc([N+](=O)[O-])cn1 788995967 ZEYJNCRGVOQYQR-UHFFFAOYSA-N 276.340 3.914 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 790307605 ZQBBXYUGCRAUKE-UHFFFAOYSA-N 291.257 3.709 30 20 CHED Cc1csc(C(=O)Nc2cc(C#N)ccc2O)c1Cl 790821079 GSGGBDLSMRBJEM-UHFFFAOYSA-N 292.747 3.540 30 20 CHED C#CCN(C)C(=O)c1sc2cc(C)ccc2c1Cl 790965314 CQKBVZPBYBHCPM-UHFFFAOYSA-N 277.776 3.568 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 791067540 RYDMJMRTLWLNKY-GVDBMIGSSA-N 298.430 3.684 30 20 CHED CCCCCCCCC(=O)Oc1cnn(CC)c1 792576346 TWZAICKTWWPTRK-UHFFFAOYSA-N 252.358 3.559 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCCc2ccc(F)cc21 794059413 OQJUOSMMXDHAKY-KRWDZBQOSA-N 287.378 3.903 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C\c2ccn(C)n2)c1 794724653 SBBQWLRNOLWJOR-FPLPWBNLSA-N 268.360 3.515 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NOCC(F)(F)F 794856900 ALXLMZFJMHGGOT-UHFFFAOYSA-N 282.265 3.568 30 20 CHED C[C@H]1CSCC1=NOc1ccccc1C(F)(F)F 794923082 MCOUGFOJQQRHJN-QMMMGPOBSA-N 275.295 3.823 30 20 CHED N#Cc1ccc(OCCCN(C2CCC2)C2CCC2)cc1 795456026 ZWFYSGSXUBKARA-UHFFFAOYSA-N 284.403 3.734 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1ccnn1-c1ccccc1 798371146 IKTCETBTOFSPKB-DHZHZOJOSA-N 292.313 3.908 30 20 CHED COc1ccccc1CON=C(C)c1cc(F)ccc1F 799119321 KKMLXPXGKZOJAU-UHFFFAOYSA-N 291.297 3.914 30 20 CHED Cc1ccc(C(=O)N(CC(C)C)CC(C)C)cc1C#N 799306998 CCQDFXHEFSRFEL-UHFFFAOYSA-N 272.392 3.621 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cccc(Cl)c1 799434978 HAXJGHVWJBYZEY-HJWRWDBZSA-N 282.730 3.864 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cccnc2C)c(O)c1 799895984 SUWQTXVEKQEPEN-VOTSOKGWSA-N 267.328 3.609 30 20 CHED C=CCCN(C)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801694570 XPYBVDRSNIDWNT-LBPRGKRZSA-N 289.272 3.751 30 20 CHED CC(C)(C(=O)OCC#Cc1cccc(Cl)c1)C1CC1 805701507 SXFVQZOGZHGVTM-UHFFFAOYSA-N 276.763 3.671 30 20 CHED CC(C)(C)CCC(=NN=c1cc[nH]cc1)c1cscn1 807981629 QATKEIBOLMRNCJ-UHFFFAOYSA-N 288.420 3.603 30 20 CHED Fc1ccc(/C=C/C=NNc2nccnc2C2CCC2)cc1 807994413 RJKUNGRBJYGJFN-DNOXCBSZSA-N 296.349 3.994 30 20 CHED C#Cc1ccc(CN[C@@H]2CSc3ccccc32)cc1 809621468 GMCSZPJEUIBWQR-MRXNPFEDSA-N 265.381 3.605 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1cc(F)ccc1C 809778465 QSNQQHFIVNSEKJ-UHFFFAOYSA-N 299.301 3.624 30 20 CHED Cc1cccnc1NN=Cc1cc(O)cc(C(F)(F)F)c1 811649673 UOXBSNZTFNNHQV-UHFFFAOYSA-N 295.264 3.560 30 20 CHED C[C@H]1CCCC(=NN[C@@H](C)COc2ccccc2)C1 811668103 KRNBJFQMMAUTLL-KBPBESRZSA-N 260.381 3.610 30 20 CHED COCCCC(=NOC/C=C\Cl)c1ccc(F)cc1 811669613 RCDXZPGTIXHZRE-FFRGRGKKSA-N 285.746 3.726 30 20 CHED Cc1cc(Cl)cc2c1O/C(=C\c1cccnc1)C2=O 811696890 HMZGDCONCZHLSB-MLPAPPSSSA-N 271.703 3.660 30 20 CHED CC[C@H](/N=C/c1c(O)cccc1OC)c1ccc(OC)cc1 812396191 MLNCWNAEMBVKNN-QUYZQLMHSA-N 299.370 3.980 30 20 CHED C=CCN(C(=O)C1(F)CCCCC1)c1ccccc1 812865808 SMIWMWHNMUJTQL-UHFFFAOYSA-N 261.340 3.878 30 20 CHED C#CCCCCCC(=O)Nc1ncc(Cl)cc1C 813320435 JCMYRYCWFNBYLU-UHFFFAOYSA-N 264.756 3.566 30 20 CHED N#CCCCCOC(=O)/C(F)=C/C1CCCCC1 814540095 OCGXYLCAVHEREN-QBFSEMIESA-N 253.317 3.657 30 20 CHED CC(=NNc1cccc(C)c1)c1cc(F)c(N)c(F)c1 814687474 KFDUTTQUXGJZRY-UHFFFAOYSA-N 275.302 3.692 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)OCc1ccccc1C#N 815348848 KLBFVDQAUVINCD-UHFFFAOYSA-N 294.354 3.742 30 20 CHED C=CCC(F)(F)C(=O)NCC[C@@H]1CCCC[C@@H]1C 815616477 PMYMKJARHIHBQT-RYUDHWBXSA-N 259.340 3.530 30 20 CHED C#Cc1cncc(C(=O)N(C(C)C)[C@@H](C)c2ccsc2)c1 817486202 XKCMEWHCEIJCCT-ZDUSSCGKSA-N 298.411 3.736 30 20 CHED CC(C)(C)Oc1ccc(NCc2ccco2)cc1C#N 824722811 WVYYRCFLGSHDSS-UHFFFAOYSA-N 270.332 3.941 30 20 CHED C=CCC(F)(F)C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 833610147 DPZAPWFVKOASCO-CABCVRRESA-N 293.357 3.898 30 20 CHED CC(CC(C)(C)C)=NNc1cnnc2ccccc12 834958169 GJUNXWJRHWZNHE-UHFFFAOYSA-N 256.353 3.854 30 20 CHED FC(F)(F)c1ccc(NN=C2CCCC23CCC3)nn1 834966145 DFBKZNSVDRCSGH-UHFFFAOYSA-N 284.285 3.618 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(CSCC)cc1 836988544 FNSCINDFQORYLO-UHFFFAOYSA-N 275.417 3.928 30 20 CHED CCO[C@@H]1CCCC[C@H]1/N=C\c1cc(Cl)ccc1O 840708733 DLPILSVOUOOLBZ-ARHHVSSYSA-N 281.783 3.812 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(C3CC3)c2)nn1C 840721817 YBPYUFCOTWFTMP-CMDGGOBGSA-N 266.344 3.502 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1C[C@@H](C)O[C@@H]1C 840871052 BICFWMYUFOHRHR-JJXSEGSLSA-N 253.430 3.915 30 20 CHED C[C@]1(C(=O)O[C@H]2CCC[C@H](C#N)C2)C[C@@H]1c1ccccc1 841255808 OESFJSLHWHGOEI-SCNOPHJPSA-N 283.371 3.806 30 20 CHED CC(CCCCC#N)=NNc1cnc2ccccc2n1 841624782 PLLFLLKWMKOINN-UHFFFAOYSA-N 267.336 3.502 30 20 CHED COC[C@@H](C)NN=C1CC[C@H](c2cccc(Cl)c2)C1 841632858 XFMNEHPHAJQHCC-YPMHNXCESA-N 280.799 3.588 30 20 CHED Cc1nc([C@H](C)ON=Cc2ccccc2C(F)(F)F)no1 842015365 JSAXIDPLTFHWSH-QMMMGPOBSA-N 299.252 3.509 30 20 CHED C#C[C@H](OC(=O)c1ncsc1C(C)C)c1ccccc1 842363341 GINILSXYYZCKGS-ZDUSSCGKSA-N 285.368 3.798 30 20 CHED C#CCOc1ccc(CNC2(c3ccccc3C)CC2)cc1 842732244 JZPWJUZHBIKAIC-UHFFFAOYSA-N 291.394 3.786 30 20 CHED CC[C@H](C)CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842945236 OWMKGPBSWRSJCD-GXSJLCMTSA-N 262.378 3.633 30 20 CHED Cc1c(NN=C2CCC[C@H](C)C2)cccc1C(=O)O 844626914 FAARSZIGJKCRKQ-JTQLQIEISA-N 260.337 3.671 30 20 CHED CCCCN1CCC(Nc2ccc(C#N)cc2C)CC1 846747882 XEKFCDYJWIUHPQ-UHFFFAOYSA-N 271.408 3.543 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)O[C@H](C)C(C)(C)C#N)cc1C 850907271 XNSPRCKXRPCENZ-VNQPRFMTSA-N 285.387 3.888 30 20 CHED C=CCC(F)(F)C(=O)OCCc1ccnc2ccccc12 851303425 VWWVANYKKGTTMI-UHFFFAOYSA-N 291.297 3.532 30 20 CHED C[C@@H]1CCCCN1N=Cc1cc2ccncc2s1 853384203 IDHSOSWSCREUAQ-LLVKDONJSA-N 259.378 3.505 30 20 CHED CCCC[C@@H](C(=O)NCc1cc(C#N)ccc1F)C(C)C 857137285 BGHCTSRAOPXJIR-OAHLLOKOSA-N 290.382 3.776 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@H](C)COc1ccccc1 860597511 KHVBEFHELCPWCS-CQSZACIVSA-N 289.375 3.575 30 20 CHED C=CCOCSc1nc(C)c(C)n1CCCC 865350950 SXTCDFVWVCUFIK-UHFFFAOYSA-N 254.399 3.552 30 20 CHED C=CCOCSc1cc(Br)ccc1OC 865357642 MRICANQGYZKKJZ-UHFFFAOYSA-N 289.194 3.710 30 20 CHED C[C@H]1OCC[C@@H]1Sc1c(Br)cccc1C#N 865639310 QWZACCKHYFMOIW-KCJUWKMLSA-N 298.205 3.590 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)Cc1ncc[nH]1 868082268 WLXQMMWIPQDTEF-CQSZACIVSA-N 294.443 3.548 30 20 CHED C=CCCCCCCNC(=O)c1cn(CC)nc1C1CC1 868329789 VSOIQJIBQLTDKA-UHFFFAOYSA-N 289.423 3.647 30 20 CHED CS[C@H]1C[C@@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)C1 870579115 FKVRYXBBEYLODI-OKILXGFUSA-N 289.400 3.539 30 20 CHED CC(C)c1cnc(SCC(=O)[C@@H](C#N)c2ccccc2)[nH]1 871680160 XCJMDGBOVZPFLX-ZDUSSCGKSA-N 299.399 3.502 30 20 CHED C#C[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1F 877517234 MTKPDXPNPAOUGP-DOMZBBRYSA-N 295.785 3.701 30 20 CHED CC(=O)N(c1ccc(NC[C@H](C)CCC#N)cc1)[C@@H]1C[C@@H]1C 877555722 ZMSFKBNHPKDSHH-QWQRMKEZSA-N 299.418 3.800 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2c(c1)CC[C@H]2N(C)C 880219636 PHSULIRBBDFWGO-MRXNPFEDSA-N 286.419 3.776 30 20 CHED C=CCN(C(=O)Nc1ccc2ccccc2n1)C(C)C 880500450 AMUCXRFWRJTDTO-UHFFFAOYSA-N 269.348 3.663 30 20 CHED C=C1CCC(C(=O)NCCCCCN2CCCCC2)CC1 888916496 BKIFIIMORKTXGG-UHFFFAOYSA-N 292.467 3.505 30 20 CHED C=C1CC(c2noc(/C=C/c3ccc(OC)c(OC)c3)n2)C1 896875609 ILSIMFORJMGBFB-FNORWQNLSA-N 298.342 3.691 30 20 CHED C=C1CC(c2noc(-c3ccc(NC(=O)C(C)C)cc3)n2)C1 896885551 ZSFRTQDRHYJVFK-UHFFFAOYSA-N 297.358 3.765 30 20 CHED CC[C@H](N[C@@H](C)c1c(C)noc1C)c1cccc(C#N)c1 902803112 FSKQGBPABZVOOF-ZBEGNZNMSA-N 283.375 3.965 30 20 CHED N#CCC[C@@H](C#N)CNCCc1ccc(Cl)c(Cl)c1 905826852 YDEJHZBVRJYFIV-LBPRGKRZSA-N 296.201 3.569 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccsc1Cl 908664017 YBDOJACQKBEHDL-NSHDSACASA-N 297.807 3.541 30 20 CHED CCC(C=NNc1ncccc1C(F)(F)F)CC 915051077 KRLTVVZOEZAWHI-UHFFFAOYSA-N 259.275 3.934 30 20 CHED CCC(=NNc1nncc2ccccc12)c1ccccc1 915909915 UQEHMBREORDBQP-UHFFFAOYSA-N 276.343 3.856 30 20 CHED COc1cccc(C=NNc2ccccc2)c1OC(C)C 916247324 PLZJGQOWIQQZDS-UHFFFAOYSA-N 284.359 3.928 30 20 CHED Cc1cccc(NC(=S)NN=C/C=C\c2ccco2)c1C 920362150 NZFVYEQETMQCTF-HKWHNATCSA-N 299.399 3.882 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)c(F)cc1F 931997343 GYEBKRYGIYQEQR-MRVPVSSYSA-N 257.255 3.645 30 20 CHED N#CC1(CCN[C@@H](c2ccncc2)C2CC2)CCCCC1 934700821 XYJXGSCTTHTHJJ-QGZVFWFLSA-N 283.419 3.986 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)CC#Cc1ccccc1 1116270230 JOOXYLDQTJDDCN-FUHWJXTLSA-N 283.415 3.761 30 20 CHED CCCC[C@H](C(=O)[C@@H](C#N)c1ncc(Cl)n1C)C(C)C 1123232734 CBEZNAVFWLXURW-NWDGAFQWSA-N 295.814 3.712 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1OC 1123317525 KCUCQGYLDGHAAI-CQSZACIVSA-N 299.374 3.529 30 20 CHED C=C(CC(C)C)C(=O)Nc1cccc(N2CCCC2)c1 1123600047 BMBZBPKBTVJXLU-UHFFFAOYSA-N 272.392 3.828 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCCC[C@@H]2C)c1 1206298537 WVDYDBWHWMRUCD-ZFWWWQNUSA-N 285.391 3.815 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 1262654510 JIRSTZOICZQHMV-OAHLLOKOSA-N 280.371 3.806 30 20 CHED CC[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)C1CCCC1 1311103896 LXTNOLDBAPXOGF-HNNXBMFYSA-N 289.354 3.788 30 20 CHED C=C(C)CN1CCC(Nc2cc(C)c3ccccc3n2)CC1 1318300654 USKUTYFEMINQNU-UHFFFAOYSA-N 295.430 3.996 30 20 CHED C=CCCCOC(=O)C1(c2ccccc2OC)CCC1 1318571648 YFACKOWTWXLZSS-UHFFFAOYSA-N 274.360 3.626 30 20 CHED Fc1ccc(CNN=Cc2cc(F)cc3cccnc23)cc1 1319184399 VQIAUGWSUDXTAE-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2ccc(F)cc2C)o1 1320426579 ODUFRNOFYJHBKT-AWEZNQCLSA-N 289.350 3.685 30 20 CHED C=CCn1cnnc1SCc1ccc(C)cc1Cl 1320835882 SXZZDNCVPOXDGC-UHFFFAOYSA-N 279.796 3.718 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCc2cccc(OCC#N)c2)C1 1324975425 ITNYDZQFNZVDEN-SJORKVTESA-N 286.419 3.893 30 20 CHED C[C@H]1CCC[C@]1(C)c1nnc(COc2ccccc2C#N)o1 1326969867 GSRXWJCEGKEVCH-SJCJKPOMSA-N 297.358 3.598 30 20 CHED N#Cc1ccc(COC(=O)CCCc2ccsc2)s1 1327720564 FNZDLCLFWZZXRV-UHFFFAOYSA-N 291.397 3.747 30 20 CHED Cc1c(C#N)cccc1C(=O)NC1(C)CCC(F)(F)CC1 1329067810 QZUWWGJTZIQQRY-UHFFFAOYSA-N 292.329 3.565 30 20 CHED CC(C)(C)c1nnc(C(C)(C)c2cc(F)cc(C#N)c2)o1 1330092920 JIKRDUPMJXXNOL-UHFFFAOYSA-N 287.338 3.704 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CCCC(F)(F)F 1333628919 LUQYUZPNPMQUCR-UHFFFAOYSA-N 290.672 3.883 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(C#N)cc1F 1337275488 TYCHROXKLUOXGC-GFCCVEGCSA-N 288.366 3.738 30 20 CHED Cc1c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)oc2ccc(F)cc12 1342663734 KRPOOAROTGVONQ-ZYHUDNBSSA-N 287.290 3.729 30 20 CHED C=CCC[C@H](C(=O)NCCCC(F)F)c1ccccc1 1345196389 TYOOEFHQGVVQQW-AWEZNQCLSA-N 281.346 3.898 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1c2ccccc2CC[C@H]1C 1348431502 SZRCYQHSPCRBCD-CQSZACIVSA-N 290.366 3.848 30 20 CHED C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1ccccc1 1349353782 ZVSRSZJGFGYGBN-PBHICJAKSA-N 278.355 3.561 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F 1355240779 GTZOPEGFKXRTPD-HIFRSBDPSA-N 289.350 3.957 30 20 CHED Cc1nnc(NC2CCC(C3CCC3)CC2)c(C#N)c1C 1458494847 GIKLIFJOXQWLBQ-UHFFFAOYSA-N 284.407 3.736 30 20 CHED N#Cc1cc(Cn2cnc(-c3ccccc3)c2)ccc1F 1459261392 MGCNUBQJVNLPNU-UHFFFAOYSA-N 277.302 3.609 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc(C)cc(C#N)c1 1466839305 FTMVLFKIFKEEDI-WCQYABFASA-N 273.380 3.813 30 20 CHED Cc1cc(SCc2cncc(F)c2)ccc1C#N 1473049323 VITUOACQZRHRIF-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccoc1 1520462533 OFXNXLVAOYYEOW-KNXALSJPSA-N 281.311 3.559 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)C1(C2CCCCC2)CC1 1528622616 DXZWKVVVNISVLY-UHFFFAOYSA-N 294.398 3.808 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1C[C@H](C)C[C@@H]1CC 1539800291 ZFKDTXQLMNNXET-MFKMUULPSA-N 294.830 3.533 30 20 CHED CC[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C1CC1 1559238460 KKUBCXDLPIVMOX-HNNXBMFYSA-N 294.358 3.741 30 20 CHED C=C[C@@H](OC(=O)c1cc(C)cc(C(=O)O)c1)c1ccccc1 1588711883 FGCHLCPLWVFFNM-MRXNPFEDSA-N 296.322 3.777 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(C(=O)O)ccc1Cl 1588718827 GVYNLFXJKDMUKR-ZDUSSCGKSA-N 279.767 3.579 30 20 CHED C=CC[C@H](SC[C@H](C)c1ccccc1)C(=O)O 1588758160 FCHMJPFECZLFRS-AAEUAGOBSA-N 250.363 3.553 30 20 CHED CN(C(=O)C1=CCC(C)(C)CC1)c1cccc(C#N)c1 1625545076 RDIPCDQVVPNRRQ-UHFFFAOYSA-N 268.360 3.658 30 20 CHED Cc1ccnc(N[C@@H]2CCC[C@H]2C(C)(C)C)c1C#N 1651933519 YIVDVQCBZOADLH-ZIAGYGMSSA-N 257.381 3.888 30 20 CHED CCc1ccc2c(c1)CN(Cc1cccc(F)c1C#N)CC2 1653281091 XHTGQRVWQUUFQU-UHFFFAOYSA-N 294.373 3.818 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNCc1ccc(C#N)c(F)c1 1659009537 PKMWEGULLAQBNK-WWGRRREGSA-N 274.383 3.859 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(F)cc(C#N)c2)C1 1664072317 STWMOIHUTCQJEK-VXGBXAGGSA-N 289.354 3.740 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2F)C[C@H]1C 1678270036 OWYNBXPNNICCFE-WZRBSPASSA-N 289.354 3.644 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(CC)C[C@@H](C)CC 1705752599 ATFGIDVWWHSWIW-NSHDSACASA-N 296.846 3.780 30 20 CHED COc1ccc(C(C)=NNc2ccccc2C(=O)O)c(C)c1 1776030812 SSYQUVPEIZPKHR-UHFFFAOYSA-N 298.342 3.538 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)[C@H]1C[C@H]2C=C[C@H]1CC2 1776037622 QYZVSWODAVXLRI-HEHGZKQESA-N 284.359 3.775 30 20 CHED O=C(O)c1cccc(NN=C2C[C@H]3CCCC[C@@H]3C2)c1 1776037782 BMUFAAYNWIZQMU-VXGBXAGGSA-N 272.348 3.753 30 20 CHED C=C1CC(CNc2nc3ccccc3c(C)c2C(=O)O)C1 1776145179 AVYKRBNEQXBVGQ-UHFFFAOYSA-N 282.343 3.620 30 20 CHED Cc1ccc(Cl)cc1NC(=O)CNc1cccc(C#N)c1 4904588 DWUCARGQYFHSFI-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1cc(F)ccc1NCc1ccc(C#N)cc1F 20054517 IZXIDEBUYJWPRF-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)cc1 32417501 NAEQGMQDPURAJC-HOTGVXAUSA-N 284.403 3.893 30 20 CHED C[C@H]1CCCN1c1ccc(C#N)c(C(F)(F)F)c1 34633251 JUTYYMJTESPIEB-VIFPVBQESA-N 254.255 3.566 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1cccs1 35149991 PSCQAJFMVIKXJI-JTQLQIEISA-N 260.337 3.610 30 20 CHED C#CCOc1ccccc1CNc1ccc(Cl)c(C#N)c1 36972798 JDPLYEZYVGGTAF-UHFFFAOYSA-N 296.757 3.836 30 20 CHED CCCOc1ccc(CNCc2cccc(C#N)c2)cc1 37501696 IINJKUFWFLPNJF-UHFFFAOYSA-N 280.371 3.637 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1C 48501927 QQUMULSKZKQDMZ-BJMVGYQFSA-N 252.313 3.905 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1F 49120013 RCYWHJBPBDICOB-CJNGLKHVSA-N 260.356 3.756 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Cl)cc1F 55207200 LUVWHGQEJYWUGA-UHFFFAOYSA-N 255.720 3.517 30 20 CHED CN(Cc1ccsc1)c1c(F)cc(C#N)cc1F 63508170 FMLOSHOXTUFDJZ-UHFFFAOYSA-N 264.300 3.534 30 20 CHED C=CCOC(=O)c1csc(-c2ccccc2Cl)n1 67222076 IEINEMCLGSCPEK-UHFFFAOYSA-N 279.748 3.806 30 20 CHED CCN(C(=O)Nc1ccc(CC#N)cc1)[C@H](C)C(C)C 67663167 TVZXPFUVCDWPTM-CYBMUJFWSA-N 273.380 3.651 30 20 CHED Cc1ncc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 76153783 FPAYAFDUCXSMTQ-DLBZAZTESA-N 297.427 3.723 30 20 CHED N#Cc1cccc(Cl)c1NCCC(=O)Nc1ccccc1 78258052 YWPRQWUTLCRROP-UHFFFAOYSA-N 299.761 3.652 30 20 CHED CC1(C)Cc2cccc(CNc3cccc(C#N)c3)c2O1 80506708 YPOHNYSUQBLOHT-UHFFFAOYSA-N 278.355 3.884 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cccc(C#N)c1 88154621 GDQNKNXXHDADPB-UHFFFAOYSA-N 262.312 3.626 30 20 CHED C=CCCc1csc(-c2ccc(OC)c(OC)c2)n1 90065485 KFAFFNVQOUMQPH-UHFFFAOYSA-N 275.373 3.946 30 20 CHED C=C(C)COCCN[C@H](C)c1cc(C)ccc1OC(F)F 90450734 KNWOMIXQDQPNMS-CYBMUJFWSA-N 299.361 3.840 30 20 CHED Cc1ccccc1[C@@H](C)NCc1cc(C#N)cs1 93492072 PEFSOYXQIGGCLT-GFCCVEGCSA-N 256.374 3.779 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CS1 94471536 MWDDUGIUJMBWHT-PSASIEDQSA-N 286.322 3.883 30 20 CHED C=CCc1ccccc1OCc1cccc(C(=O)N(C)C)c1 105393228 ZUUANFMGRDGEAC-UHFFFAOYSA-N 295.382 3.696 30 20 CHED N#Cc1ccc(NCCc2cccc3cccnc23)cc1 106109959 CZMDEDVNYYERQN-UHFFFAOYSA-N 273.339 3.761 30 20 CHED C[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1F 108958801 MQDFRXPZBKLQLU-LBPRGKRZSA-N 282.318 3.634 30 20 CHED CCCCCCCC(=O)Nc1cccc(CC(=O)O)c1 115772028 GVUJDYHCWWFWGE-UHFFFAOYSA-N 277.364 3.613 30 20 CHED C[C@@H](CC(=O)N(C)c1cccc(C#N)c1)c1cccc(F)c1 116004796 AVFFEZSAXJHTOB-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED C=CC[C@@H](C)NC(=O)CCCCOc1cc(C)ccc1C 116853212 SHGZQHAQJUSAHS-MRXNPFEDSA-N 289.419 3.933 30 20 CHED C[C@@H](SCCCNc1ncccn1)c1ccc(C#N)cc1 118177361 VKISRKAVBAQSCC-CYBMUJFWSA-N 298.415 3.645 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)c(F)c1)C2 121201488 AKBAEKNWOZJUMD-QPEQYQDCSA-N 268.287 3.662 30 20 CHED CCCc1nnc(SCC#Cc2ccc(Cl)cc2)o1 122052317 BDYWPGHEVOHTNA-UHFFFAOYSA-N 292.791 3.819 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C1CCCC1)C(F)(F)F 127755812 MCXUNYZOVKXRRO-LBPRGKRZSA-N 292.345 3.715 30 20 CHED CCC(CC)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 128977846 LRAXXENNMHHLLX-AWEZNQCLSA-N 278.783 3.847 30 20 CHED CCC(CC)c1cc(C(=O)Nc2ccccc2C#N)on1 129154693 KUVMYELULQVLLL-UHFFFAOYSA-N 283.331 3.702 30 20 CHED COc1ccc(C#N)cc1CN[C@H](C)c1ccc(C)cc1 130281701 MEIJMPYUMRQDQO-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCOc1ccc(OCc2cccc(Cl)n2)cc1 131918559 INJHKSYUQNLPQH-UHFFFAOYSA-N 275.735 3.879 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]1COc1ccccc1 133369622 SRLCACIWGJMSJX-KRWDZBQOSA-N 299.414 3.825 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@H](C(C)(C)C)CC1 136258558 DCNQYASUTIYUOK-BBRMVZONSA-N 264.413 3.601 30 20 CHED C=CCOc1ccc(CNC[C@]2(C)CCCO2)cc1Cl 152893157 VWNQIBHNMZEUGM-INIZCTEOSA-N 295.810 3.564 30 20 CHED N#Cc1cccc(CN[C@H]2CCc3c(F)cc(F)cc32)c1 154576549 CYSRDNJSIXAOOO-KRWDZBQOSA-N 284.309 3.614 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 155856240 KQQKOMYZOHYPBD-ZDUSSCGKSA-N 291.354 3.606 30 20 CHED CC(C)(C)SCCCC(=O)OCc1ccc(C#N)cc1 156234437 JIGXWSXXMHGAJP-UHFFFAOYSA-N 291.416 3.913 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@](C)(C#N)CC)cc1 157931983 GKIJJXWRWKQGQE-DYVFJYSZSA-N 272.392 3.551 30 20 CHED C#Cc1cccc(NC(=O)N[C@](C)(CC)c2nccs2)c1 157960105 CVSZRNBMYYILIM-MRXNPFEDSA-N 299.399 3.571 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc(-c2cccnc2)cs1 158508953 VMKSRXPVLAUBJW-UHFFFAOYSA-N 299.399 3.912 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2cccs2)c1C 160687361 NUIOHLWFNNXSIP-BQYQJAHWSA-N 274.389 3.868 30 20 CHED N#Cc1ccc(Cl)cc1OCC(=O)C1CCCCC1 160984982 AEEQNNPBODFPGL-UHFFFAOYSA-N 277.751 3.740 30 20 CHED CCCCCCCOC(=O)/C=C\c1ccc(O)c(O)c1 169559025 MVBSOBMQLAJJRB-NTMALXAHSA-N 278.348 3.625 30 20 CHED N#CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 171000017 SNGVAATWHBXNSX-QZTJIDSGSA-N 292.382 3.753 30 20 CHED N#CCCCCNCc1ccc(-c2ccc(F)cc2)o1 171416753 MAYVYLOVYIDRPM-UHFFFAOYSA-N 272.323 3.869 30 20 CHED C#CCCCNC(=O)N[C@@H](C)c1ccc(SCC)cc1 174087809 MPXYJOQAFPOZGF-ZDUSSCGKSA-N 290.432 3.572 30 20 CHED N#Cc1ccc(CN[C@H]2CCSc3c(F)cccc32)o1 174253753 YHHBGZHQECLFRL-AWEZNQCLSA-N 288.347 3.617 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CCCO[C@H]1C(C)(C)C 174408381 MXRXOIZYWQZPLM-HUUCEWRRSA-N 280.456 3.747 30 20 CHED C=CCCCC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 175875316 GKWXUVOFKAWHPS-WBVHZDCISA-N 271.404 3.995 30 20 CHED N#C[C@@H](NC(=O)c1cccc(C(F)F)c1)C1CCCCC1 176643943 ZRFOOBIVUHNQFA-CQSZACIVSA-N 292.329 3.826 30 20 CHED C=CCCCC(=O)Oc1ccccc1OC(F)F 177829429 UTTUGTSCQYGVCD-UHFFFAOYSA-N 256.248 3.550 30 20 CHED CC(C)(C#N)CCC[S@@](=O)C/C=C/c1ccccc1 177922938 UUGAMQIPSXLWSO-IUYMFKLXSA-N 275.417 3.778 30 20 CHED N#Cc1cccc(C(=O)Nc2ncccc2-c2ccccc2)c1 179469765 JOGGZRDUKOZLFL-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CC(C)=CCC[C@H](C)NCc1ccc(OCC#N)cc1 180555401 OLIHZQGWKVLHRM-HNNXBMFYSA-N 272.392 3.813 30 20 CHED Cc1cccc(CNc2cccc(OCCCC#N)c2)c1O 180857684 CJSCVYVSIGSWKY-UHFFFAOYSA-N 296.370 3.995 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2c(C)cccc21 181121602 BBYVNBFSDWRPOU-AWEZNQCLSA-N 272.392 3.812 30 20 CHED C=CCN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 182561237 SZPQMUBLPMINRF-AWEZNQCLSA-N 280.371 3.776 30 20 CHED C[C@H](CCc1ccccc1)N[C@@H]1CCC[C@H](C#N)C1 185758855 MZUAEFBXAISNIS-HYVNUMGLSA-N 256.393 3.680 30 20 CHED CCC(CC)c1cc(CN[C@@H]2CCC[C@@H](C#N)C2)on1 185844493 KTLJKXPFAMEIOY-TZMCWYRMSA-N 275.396 3.750 30 20 CHED COc1cc(C(C)=O)ccc1OCc1ccc(C#N)cc1C 186107176 JACJIDMTJZEBBW-UHFFFAOYSA-N 295.338 3.657 30 20 CHED C=C(C)[C@@H](NC[C@H]1CCCCO1)c1ccc(F)c(F)c1 187785600 KSPALVKMGDEAPD-CZUORRHYSA-N 281.346 3.741 30 20 CHED C[C@H](CCC#N)Sc1nnc(C2CC2)n1-c1ccccc1 188228340 XIVHGJVYIYDQEU-GFCCVEGCSA-N 298.415 3.929 30 20 CHED C=CCC1(C(=O)N(C)CCCc2ccccc2)CCC1 188737626 SCJNJOMUVGOYRX-UHFFFAOYSA-N 271.404 3.824 30 20 CHED CC(C)(C#N)CCCSC[C@H]1CC2(CCC2)C(=O)O1 191072608 SDGZDZCYJVEMSO-GFCCVEGCSA-N 281.421 3.535 30 20 CHED C[C@@H]1CC[C@@H](CSc2ccc(C#N)cc2Cl)O1 191189239 ZTXVIWHITBPUNK-KOLCDFICSA-N 267.781 3.871 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 191995387 OAMYFODYKLZGPD-MSOLQXFVSA-N 283.415 3.975 30 20 CHED O=C(/C=C/c1ccccc1Br)c1ccncc1 192762314 HJTPUTQRAVHMND-AATRIKPKSA-N 288.144 3.740 30 20 CHED C=CCOc1ccc(/C=C/C(=O)c2ccncc2)cc1OC 192762639 GPOHWUALIOEUIA-GQCTYLIASA-N 295.338 3.551 30 20 CHED C[C@@H](SCc1nc(C2CC2)n[nH]1)c1cccc(C#N)c1 193730098 ZLCUQRXTWKPHDX-SNVBAGLBSA-N 284.388 3.548 30 20 CHED CCC1CC(=O)C(=CNc2ccccc2SC)C(=O)C1 194958672 WBHCOIPKIYKXGC-UHFFFAOYSA-N 289.400 3.663 30 20 CHED C=CCCCCCNc1cc(C(=O)N(C)C)ccc1OC 195448064 WLJGEXCRYHQINK-UHFFFAOYSA-N 290.407 3.555 30 20 CHED C=CCc1ccc(OCc2cccc(C#N)c2)c(OC)c1 217979169 HRYVPWWBBQCLEL-UHFFFAOYSA-N 279.339 3.874 30 20 CHED C=CCC[C@H](CC)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 249173176 COLBXQJXUWKJRM-HZSPNIEDSA-N 293.373 3.804 30 20 CHED N#CCN(Cc1ccc(-c2ccccc2F)o1)C1CC1 271162629 YNILOUNKZYWOLX-UHFFFAOYSA-N 270.307 3.574 30 20 CHED C[C@H](C#N)CN(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 271353168 WLLNZYNQONAZMU-CHWSQXEVSA-N 292.810 3.527 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccccc1 272171266 DGLHIMPGIVSGLX-AWEZNQCLSA-N 262.356 3.898 30 20 CHED C=CCC[C@@H](C)NCCc1nc2ccccc2s1 273386059 JQJRAQJKHCHOQH-GFCCVEGCSA-N 260.406 3.783 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1nc2ccsc2s1 275497062 QITGGKNILSYWOG-ZDUSSCGKSA-N 296.417 3.525 30 20 CHED CC[C@@H](c1ccc(Cl)cc1Cl)N1CCO[C@H](C#N)C1 275773034 ZEBMXMVQBPRONY-RISCZKNCSA-N 299.201 3.669 30 20 CHED N#Cc1ccc(N2CCC(c3ccncc3)CC2)cc1Cl 277139947 JYZCSYJTNTZVGH-UHFFFAOYSA-N 297.789 3.991 30 20 CHED Cc1ccc2c(C(=O)N(C)[C@@H](C)CC#N)csc2c1 281546216 SMZPAJJEORDZEG-NSHDSACASA-N 272.373 3.584 30 20 CHED C[C@H](Cc1cccc(C(F)(F)F)c1)NCCCC#N 281728498 UXTFXDHCORIWRA-LLVKDONJSA-N 270.298 3.530 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1c(C)coc1C 284638455 WSWDWHJSRNDDCI-UHFFFAOYSA-N 296.370 3.821 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 285404370 CRIHDACBYAJLJE-QZTJIDSGSA-N 284.403 3.507 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC=C(c2cccnc2)C1 289464599 YMVBQSLICSOFSB-OAHLLOKOSA-N 289.382 3.804 30 20 CHED CC[C@H](NC[C@H]1COc2ccccc21)c1ccc(C#N)cc1 290297423 NGZHLSXQUGSZOV-WMZOPIPTSA-N 292.382 3.775 30 20 CHED C=C[C@](C)(CC)c1nc(-c2c(C)nsc2C)no1 293155382 XKUNKVMTACTPOT-CYBMUJFWSA-N 263.366 3.664 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(OC)c(O)c1 293687635 KVMATKDRJOCXEC-LBPRGKRZSA-N 263.381 3.654 30 20 CHED CC/C=C/CNCc1cn(CCC#N)nc1-c1ccccc1 295086164 QYKIWRHFBORMJB-XVNBXDOJSA-N 294.402 3.520 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 297698661 FSPJGPUDBSBFEX-IUCAKERBSA-N 262.378 3.654 30 20 CHED C[C@H]1CCCC[C@@H]1OCCNc1ccc(C#N)cc1 301085548 JAAYHAGTJGVSRB-BBRMVZONSA-N 258.365 3.565 30 20 CHED CC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)O1 301247855 LSPMUXPYZHFMFT-MFKMUULPSA-N 298.308 3.581 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccc([N+](=O)[O-])cc1C#N 301372820 UGDLYZDCBGBWOU-JMSVASOKSA-N 285.347 3.624 30 20 CHED CC(C)[C@H](O)C(C)(C)CNc1ccc(C#N)c(Cl)c1 301837563 YGUKFMUJRTYJFT-AWEZNQCLSA-N 280.799 3.667 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CCC2CCCCC2)C1 303604454 APJPPMIBWKXRHI-WMLDXEAASA-N 276.424 3.936 30 20 CHED C=CCCCNc1cc2c(cc1Cl)OCCCO2 303881811 RDMOSHMDOFZRQX-UHFFFAOYSA-N 267.756 3.879 30 20 CHED CCc1nc(C#N)cc(Sc2cccc(Cl)c2)n1 308282733 QDDJZZJOKGXYBY-UHFFFAOYSA-N 275.764 3.715 30 20 CHED N#CCc1cccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 313471999 VVRSJHILQGETHB-SOUVJXGZSA-N 268.360 3.517 30 20 CHED Cc1cc([C@H](C)/N=C(/O)[C@H](C)c2cncnc2)c(C)s1 328775564 KQWGDLLUROBRCT-MNOVXSKESA-N 289.404 3.976 30 20 CHED Cc1nnccc1N=C(O)c1csc2c1CC[C@H](C)C2 329679993 RDUKALQGSIZWTR-VIFPVBQESA-N 287.388 3.608 30 20 CHED Cc1ncoc1/C(O)=N/[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 329930867 ZXWVXPRYTMNKAH-TZMCWYRMSA-N 288.322 3.763 30 20 CHED Cn1c(N=C(O)CC2CCCCCC2)nc2cccnc21 330290123 FMZVUPQHJCGYJX-UHFFFAOYSA-N 286.379 3.917 30 20 CHED CCc1occc1/C(O)=N/[C@@H](C)c1nc(C(C)(C)C)no1 331205595 ZFJIQABFIJMYSI-VIFPVBQESA-N 291.351 3.588 30 20 CHED N#CC[C@@H](CC(=O)NC1CCCCCC1)c1ccccc1 332062463 ZFBNGGSPRXPIAD-INIZCTEOSA-N 284.403 3.913 30 20 CHED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c2cccnc12 334607285 DYGZTIKVSHXTMN-QWHCGFSZSA-N 251.333 3.647 30 20 CHED Cc1nc(-c2ccccc2)sc1NC(=O)[C@@]1(C#N)C[C@@H]1C 334622541 UISPIBLPFNSSQS-MGPLVRAMSA-N 297.383 3.607 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(CC#N)cc2Cl)C1 335040206 LXTJPJDLRCCLJN-PWSUYJOCSA-N 276.767 3.781 30 20 CHED N#Cc1cnc(Sc2cccc(C(=N)O)c2)c(Cl)c1 335725863 XKHZKWVLZZYLEF-UHFFFAOYSA-N 289.747 3.641 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1cccc2ccccc12 336136172 GNHJIPRECFPUTC-UHFFFAOYSA-N 281.359 3.853 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)Cc1ccco1 338804117 ICCQLNREUVIWRR-ZDUSSCGKSA-N 288.395 3.597 30 20 CHED CCC(CC)CN(CCC#N)c1ncnc2sccc12 339055028 SWSDJXIPUKJFHG-UHFFFAOYSA-N 288.420 3.848 30 20 CHED C=CCOCCCSC[C@H](OC)c1ccccc1 339091273 LCFXIZKAQBLZIC-HNNXBMFYSA-N 266.406 3.700 30 20 CHED N#CCCCNC(=O)Nc1ccccc1-c1cccs1 344915372 KDURZGOCKPPYDJ-UHFFFAOYSA-N 285.372 3.840 30 20 CHED CC(C)(C)CN(CCC#N)CCCOCc1ccccc1 347431121 DHSKOTBULAOGQT-UHFFFAOYSA-N 288.435 3.855 30 20 CHED N#Cc1cccc(CN2Cc3cccc(Cl)c3C2)c1F 347472281 XAYDLCFEMNDWFP-UHFFFAOYSA-N 286.737 3.867 30 20 CHED COc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 353312486 KMWCHLLYFOFZRF-HNNXBMFYSA-N 294.354 3.721 30 20 CHED C=C1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 353333675 SFPCCBXRLJCLJR-UHFFFAOYSA-N 281.403 3.641 30 20 CHED C=CCOCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 354724280 SDOQSOOCIUVHPZ-UHFFFAOYSA-N 295.382 3.533 30 20 CHED C[C@@H]1COC[C@H](c2ccccc2)N1Cc1ccc(C#N)cc1 354886397 VXJSQLLDMLZQMQ-DNVCBOLYSA-N 292.382 3.520 30 20 CHED N#Cc1ccccc1CSCCN[C@@H]1C[C@H]2CC[C@H]1C2 356675618 LOEUUTPUWDPLSU-GRDNDAEWSA-N 286.444 3.570 30 20 CHED CCCCN(C(=O)CCCC#N)[C@@H]1CCC[C@H](C)C1 359337125 RSZYYOWJFTXSQS-LSDHHAIUSA-N 264.413 3.888 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CC(C)C)c1ccccc1 362369332 FUGWMWHPCDFCSU-ZFWWWQNUSA-N 260.381 3.648 30 20 CHED CC(C)CC1(CNC(=O)c2cc(C#N)cs2)CCC1 362579115 BSJSHIUFLNHBSE-UHFFFAOYSA-N 276.405 3.566 30 20 CHED CC(C)C[C@H](C)CN1CCC(C#N)(c2ccccn2)CC1 367058319 SBHSZINOPGQFCB-INIZCTEOSA-N 285.435 3.621 30 20 CHED N#CCC[C@@H](NC(=O)N1CC2CCC1CC2)c1ccccc1 367428367 HMAYKFJKCFBXDY-BDVYOWHSSA-N 297.402 3.615 30 20 CHED C[C@H](C#N)Oc1ccc(CN2C[C@H]3CCC[C@@H](C3)C2)cc1 367711068 XGAFGSOFDFRGCS-PVAVHDDUSA-N 284.403 3.599 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1C#N 369070136 GSYHWDXHIMTVJQ-HNNXBMFYSA-N 296.395 3.906 30 20 CHED C=CCC[C@H](CCC)NC[C@H]1CCCn2cc(C)nc21 374575734 MZGRJYGLMJFFTG-CVEARBPZSA-N 275.440 3.793 30 20 CHED N#CCCCCN1CC[C@](F)(c2cccc(Cl)c2)C1 374628254 QYOQJJYUSNPNBD-OAHLLOKOSA-N 280.774 3.904 30 20 CHED N#CCCCCNC(=O)N1CCC[C@H]1/C=C/c1ccccc1 378591750 IZPZNGKFMYWTKH-FLVLSHQESA-N 297.402 3.568 30 20 CHED CC[C@H]1CCCN(Cc2ccc(CC#N)cc2)CC1 399012171 YRCAOIGTZVJUTK-HNNXBMFYSA-N 256.393 3.765 30 20 CHED CC[C@]1(C)CCN(c2nc(C)c(C#N)cc2Cl)C1 399432929 ZJYWHDSIVCFEMF-CQSZACIVSA-N 263.772 3.542 30 20 CHED Cc1cc(Sc2ccc3c(c2)OCCCO3)c(C#N)cn1 399659954 PGSFLQXBJZIPBG-UHFFFAOYSA-N 298.367 3.574 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(CCC#N)CC(F)(F)F 410523953 KNWWOGGDDBAETR-LBPRGKRZSA-N 292.345 3.753 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 411053309 DBFGVWRTCSHAGY-UONOGXRCSA-N 284.359 3.526 30 20 CHED CCc1cnc(SCCC2(C#N)CCCCC2)[nH]1 412996086 FHZUTBJSRVBZNC-UHFFFAOYSA-N 263.410 3.928 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cc2n(n1)CCC2 414304771 QWLFHWMTBFXNFI-WBVHZDCISA-N 295.430 3.667 30 20 CHED CC[C@@H](C)CCC(=O)Nc1cc(C)c(N(C)C)cc1C#N 415702008 GEZTTXZPMQTXGP-GFCCVEGCSA-N 287.407 3.698 30 20 CHED CCn1cc(CCS[C@H](C)c2ccc(C#N)cc2)cn1 419433015 YUHLZBUYFNUTQL-CYBMUJFWSA-N 285.416 3.812 30 20 CHED CC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)C[C@@H](CC)O1 420950638 GMIQPBFOJISHLI-KBRIMQKVSA-N 272.392 3.509 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1c[nH]c2c(C)cccc12 424681576 GIKADWGYFNRCJL-UHFFFAOYSA-N 284.403 3.737 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(O)c(Cl)c1 424735069 KSPPDDCEEFIKNA-UHFFFAOYSA-N 253.729 3.586 30 20 CHED CCC1(CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCC1 425497253 WLERAKVTXQYYET-AWEZNQCLSA-N 299.418 3.841 30 20 CHED C=CC[C@@H](C(=O)N1CCC(CC)CC1)c1ccccc1 426645218 CBFFRXKHTXEGMP-QGZVFWFLSA-N 271.404 3.995 30 20 CHED C=CCOc1ccc(CN2CC[C@@H]3CCC[C@H]32)cc1OC 428456410 HSJIRDNSECGNQJ-JKSUJKDBSA-N 287.403 3.634 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(OCCC)cc1 429851879 RYTBFDMELFPJHR-UHFFFAOYSA-N 275.392 3.694 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCCc2ccccc21 429930568 RVFURHSSZOVJQD-HNNXBMFYSA-N 271.404 3.825 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)NCC1(CC#N)CC1 430755175 PNQMYOCCBUXLOI-MRXNPFEDSA-N 274.383 3.676 30 20 CHED N#CCN(Cc1nc2ccc(F)cc2s1)C1CCCC1 432751976 GZRCNAFQKWYZKI-UHFFFAOYSA-N 289.379 3.704 30 20 CHED CCOc1ccc2c(c1)CCN(c1ccc(C#N)cc1)C2 433530084 MIIPKBPMMVXEHU-UHFFFAOYSA-N 278.355 3.520 30 20 CHED C=CCN(CCCCCOc1ccccc1)C1CC1 437979295 OKVHVPZPLDZYEP-UHFFFAOYSA-N 259.393 3.886 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C1CCCC1)C(F)(F)F 439379686 LLZCERSYXKKILC-RYUDHWBXSA-N 292.345 3.761 30 20 CHED COc1ccc2c(c1)N(CCCCC(C)(C)C#N)CCO2 444648700 KAHBVHICFRQUPY-UHFFFAOYSA-N 288.391 3.614 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1ccco1)c1ccccc1 447186257 LTGSIQRDBRLSMY-UHFFFAOYSA-N 282.343 3.753 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OCC2CC2)cc1 448980904 RIFNMPSXDINYAC-UHFFFAOYSA-N 259.349 3.626 30 20 CHED CCN(C[C@@H](C)c1cc(F)cc(F)c1)C[C@@H](C)C#N 449013084 ATLFDVOAGNTOFN-NWDGAFQWSA-N 266.335 3.550 30 20 CHED N#CCN(CCCC(=O)c1ccc(F)cc1)C1CCCC1 450428603 WRZZCSJOIITEKN-UHFFFAOYSA-N 288.366 3.557 30 20 CHED C=CC(C)(C)C(=O)Nc1sc(CCC)nc1C 450757507 MEBRYVHWUMERLZ-UHFFFAOYSA-N 252.383 3.555 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)CC(F)(F)F)CCCC1 450883308 PQFPRGGRBMAQNK-NSHDSACASA-N 277.330 3.970 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(C)c(Cl)c1Cl 451963756 IXRVBGRERQHIAS-UHFFFAOYSA-N 297.185 3.844 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)SCc1ccccc1 452778680 RLXUHHSJKYTNIK-ZDUSSCGKSA-N 277.433 3.637 30 20 CHED C=C(CC)CNC(=O)C1(c2ccccc2)CCCC1 453024170 TWSFOBSRWSNJRY-UHFFFAOYSA-N 257.377 3.581 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 453312441 GVZNRVDQRQWNGJ-AWEZNQCLSA-N 289.423 3.833 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(C)s2)no1 453324304 KVCOYXFJAPUBGE-ZYHUDNBSSA-N 276.361 3.555 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2cc(Cl)ccc21 453349405 LCZIZJUDZJBIGI-OAGGEKHMSA-N 277.795 3.651 30 20 CHED C=C(C)CCNC(=O)N1CCC(c2ccsc2)CC1 455333094 YXQFYMKONIZTMH-UHFFFAOYSA-N 278.421 3.603 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1cccs1 455366524 MHEAHWKEXOWALG-NSHDSACASA-N 266.410 3.663 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 455940678 KBCDHGBAESNEHB-INTQDDNPSA-N 284.186 3.788 30 20 CHED C=C(CC)CNC(=O)c1ccc(CSCC)cc1 456831180 SRDCDBHJWZGOOR-UHFFFAOYSA-N 263.406 3.636 30 20 CHED C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccc(CC#N)cc1 459775214 WXWLQHWLTPYJHE-HNNXBMFYSA-N 296.389 3.955 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C(C)C)cn1 464278148 XWULYKNBYNTIDY-UHFFFAOYSA-N 287.407 3.797 30 20 CHED C[C@@H](C(=O)N(CC1CCC1)CC1CC1)c1cccc(C#N)c1 464496276 UUYDYURONHOYJJ-CQSZACIVSA-N 296.414 3.700 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@H](C)c1nc2ccccc2s1 464752239 CITWQDDIGONCFU-WDEREUQCSA-N 289.404 3.573 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)C=C 465122502 UEOLRUNCGQZBDY-SNVBAGLBSA-N 299.292 3.575 30 20 CHED CC#CCCCC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 466423024 POMGNOINQJEOGT-SMDDNHRTSA-N 293.769 3.645 30 20 CHED C=CCCN(C)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl 466777650 PMDBBQPWSQRYNB-MFKMUULPSA-N 296.773 3.553 30 20 CHED C=CCOCCCNC1(c2cccc(Cl)c2)CC1 470769079 JEGLLTKLIYDBJX-UHFFFAOYSA-N 265.784 3.511 30 20 CHED C=CCOCCCN(c1ccc(F)cc1)C(C)C 470782100 QCWXIOOOLCHAKO-UHFFFAOYSA-N 251.345 3.633 30 20 CHED C=CCCCSc1ccc(OCCOC)cc1 472213459 IBDTXUFVHWNYCO-UHFFFAOYSA-N 252.379 3.770 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCC1(C)C 475322006 WYPVUFQIBBVWLG-CYBMUJFWSA-N 286.375 3.722 30 20 CHED C=CCCC1(C(=O)NCCCOc2ccc(C)cc2)CC1 475455758 FUWKLQHPBCADPO-UHFFFAOYSA-N 287.403 3.627 30 20 CHED C=CCN1CC=C(c2ccccc2C(F)(F)F)CC1 477990157 QAFMMYRNWMJJET-UHFFFAOYSA-N 267.294 3.981 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCC=C(C)C 479851584 OIARSFQAOIAUQJ-UHFFFAOYSA-N 272.392 3.741 30 20 CHED Cc1ccnc(N2CCC[C@@H](C(C)(C)C)C2)c1C#N 481041638 RWZIDPWWISBNQP-CYBMUJFWSA-N 257.381 3.524 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C(F)(F)F)cc1 488559113 HZSFCFQQHKEEGA-UHFFFAOYSA-N 294.276 3.945 30 20 CHED C=CCN(C/C=C/c1ccncc1)Cc1ccccc1F 495165360 DPPLRUHDMGBCJS-AATRIKPKSA-N 282.362 3.922 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C(C)C 497831828 MLBYYFOTLKHWSL-OAHLLOKOSA-N 286.419 3.835 30 20 CHED CC#CCCNCc1cc(Cl)c(OC)cc1Cl 499213799 MFXFDNHWXCTQIS-UHFFFAOYSA-N 272.175 3.505 30 20 CHED CC(C)CN(C(=O)c1cccs1)c1ccc(C#N)cc1 499320268 QJUFBTWDRKUUHK-UHFFFAOYSA-N 284.384 3.923 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1C[C@H]1C 505738530 UEGBDXRMAAGNBI-MNOVXSKESA-N 298.839 3.755 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc(C#N)cc2)n1 508645693 OFZPGVWHJGNKQX-NTMALXAHSA-N 265.316 3.620 30 20 CHED C=CCN(CC=C)C(=O)CSC/C=C/c1ccccc1 514305456 IEFZOJGIRJKNDW-DHZHZOJOSA-N 287.428 3.634 30 20 CHED CC(C)(C#N)NC(=O)c1ccc(C(C)(C)C)c(Cl)c1 516119484 MSCNGJIGGMTGJR-UHFFFAOYSA-N 278.783 3.669 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CCC(C)C)C1CCCC1 520000034 STLILEJCEMGFGB-HNNXBMFYSA-N 281.440 3.785 30 20 CHED C=CC[C@H](C)NC(=O)NCCCc1ccc(Cl)cc1 522577934 IIFYLMLYNDQHDU-LBPRGKRZSA-N 280.799 3.536 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(CCC#N)Cc1cccnc1 523324771 KZYKQHWEFGXTAI-DOTOQJQBSA-N 299.418 3.540 30 20 CHED CC#CCN(C)CCCCCc1cc(-c2ccccc2)n[nH]1 525623710 WGUMLLUVYAAFCF-UHFFFAOYSA-N 295.430 3.745 30 20 CHED C=CCOc1cccc(CN[C@H](CC)C2CCOCC2)c1 530567326 SFKXRZKZJRVHFZ-GOSISDBHSA-N 289.419 3.546 30 20 CHED C=CCCOCCCCC(=O)NC1[C@H](C)CCC[C@H]1C 537317475 JLLGRDQEJRDPLZ-HUUCEWRRSA-N 281.440 3.690 30 20 CHED C=CCN(C(=O)N[C@@H](CCC)Cc1ccccc1)C1CC1 537908341 JPEPIPOASLWYQK-INIZCTEOSA-N 286.419 3.758 30 20 CHED CC[C@@H]1CCC[C@H]1NCCSCc1ccccc1C#N 539076361 RTQAHTVBJUYPIR-RHSMWYFYSA-N 288.460 3.960 30 20 CHED C=C(CC)CSCc1ccc(OC)c([N+](=O)[O-])c1 539094986 IFKTZYFCEAWECB-UHFFFAOYSA-N 267.350 3.803 30 20 CHED CC(=O)c1ccc(C#N)c(N2C[C@@H](C)CC(C)(C)C2)c1 541596646 CGIKJEXVYATZMU-LBPRGKRZSA-N 270.376 3.633 30 20 CHED C[C@H](C#N)CN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 546654544 GRRASASCBPIFMB-KCPJHIHWSA-N 262.784 3.725 30 20 CHED Cc1cc(F)ccc1CNc1cccc(C#N)c1C 547812274 PMFNDBNLYGSSQW-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CCCC[C@@H](CC)C(=O)N1CCc2ccc(C#N)cc21 550520154 JUBAHLFTEPLWKX-CQSZACIVSA-N 270.376 3.664 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2NC)CC1 552239660 HERMKMVOTCXPKP-MQMHXKEQSA-N 285.391 3.755 30 20 CHED CCSc1ccc([C@@H](C)N=c2cc(C)[nH]c(C#N)c2)cc1 553362155 HAAHFVIHSOVMIG-CYBMUJFWSA-N 297.427 3.969 30 20 CHED C[C@](C#N)(NC(=O)C1CCCCCC1)C1CCCCC1 555902507 HKCPCFGNXFMFQA-QGZVFWFLSA-N 276.424 3.936 30 20 CHED N#Cc1c(Cl)cccc1N1CCC[C@H]1c1ccccn1 556196664 WEWSKGSTTQQVBT-INIZCTEOSA-N 283.762 3.948 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C 556440485 DGFOGPXJLJODCY-LBPRGKRZSA-N 262.353 3.766 30 20 CHED C=CCn1cccc1-c1nc(-c2ccccc2OCC)no1 558291110 GPVWUVWZTDLKJD-UHFFFAOYSA-N 295.342 3.790 30 20 CHED C=CCC(C)(C)c1noc(-c2scnc2CC)n1 560030157 XCQQCQWTRWSLRZ-UHFFFAOYSA-N 263.366 3.609 30 20 CHED Cc1ccc(CN(C)CC(C)(C)C#N)cc1Br 560569956 XXHWMFCHVPFITC-UHFFFAOYSA-N 295.224 3.739 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N(CCC#N)C(C)C 562724067 BTPUKNWLHRLTPO-HNNXBMFYSA-N 290.432 3.708 30 20 CHED CCCN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(C)C 563969745 DRJXSOGAHSSCJU-QGZVFWFLSA-N 299.418 3.766 30 20 CHED C=CCC[C@H](NC[C@@H](C)N1CCC(C)CC1)c1ccco1 569754106 FIDJKVBQYNALHV-SJORKVTESA-N 290.451 3.997 30 20 CHED CC[C@@H]1CCc2ccccc2N1Cc1ccc(C#N)cn1 575068581 OIVVHPGMLJRZQY-QGZVFWFLSA-N 277.371 3.685 30 20 CHED Cc1cc(NC(=O)NCC2(C#N)CC2)c2ccccc2c1 577038117 UZPUQINSPBCPHY-UHFFFAOYSA-N 279.343 3.574 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@H]2C=CCCC2)cc1 580124454 KJIJGKAWSJXGGV-RDJZCZTQSA-N 282.387 3.676 30 20 CHED N#CCCCCCC(=O)N1CCc2c(Cl)cccc21 588161319 CYALZDBWGOWBQL-UHFFFAOYSA-N 276.767 3.703 30 20 CHED Cc1nc(N2CC(C)(C)[C@H]2c2ccccc2)ccc1C#N 589860735 JZDHSLINRKMZJG-QGZVFWFLSA-N 277.371 3.849 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H](c2ccccc2)C1 590076895 RLNPAYDCZKIQMW-QGZVFWFLSA-N 284.403 3.867 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 593438249 YHIJOHSSOGHCEE-OIISXLGYSA-N 284.403 3.721 30 20 CHED CCOCc1ccccc1-c1noc(CCCCC#N)n1 594540465 RSCHVUVXFHRTGM-UHFFFAOYSA-N 285.347 3.509 30 20 CHED C=CCCSCCN[C@H](C)c1nc(C)sc1C 595060199 UGRAVWHQZKRTAW-SNVBAGLBSA-N 270.467 3.720 30 20 CHED Cc1cc(N2CCC[C@H](CC#N)C2)c2ccccc2n1 596329871 HVDKJDMTJOVNBS-CQSZACIVSA-N 265.360 3.673 30 20 CHED CCC(CC)(OC)c1noc(CC2(C#N)CCCCC2)n1 596599576 UHGQXZUOSIIIKJ-UHFFFAOYSA-N 291.395 3.748 30 20 CHED COC(=O)Cc1ccccc1-c1ccccc1C1(C#N)CC1 596639061 XEMBTGPMMNIXEZ-UHFFFAOYSA-N 291.350 3.624 30 20 CHED COc1cc(C#N)ccc1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 598827149 FVQXLZLTJGCLHN-ZIAGYGMSSA-N 298.386 3.722 30 20 CHED COc1ccc(C#N)cc1CSc1ncc(C(C)C)[nH]1 600584978 LCUNHLWEGJIQCN-UHFFFAOYSA-N 287.388 3.706 30 20 CHED N#CCCCCNC(=O)c1cc(Cl)cc(Cl)c1F 601037898 FRJYKBBJKMKPGO-UHFFFAOYSA-N 289.137 3.556 30 20 CHED CCCOc1cccc(CCNC[C@@H](C)CCC#N)c1 602581345 IOKNJCMHUSXTFR-HNNXBMFYSA-N 274.408 3.547 30 20 CHED C[C@@]1(CN2CCC[C@@H](CC#N)C2)C[C@H]1c1ccccc1 602706191 IUXTVTLLAQJTDA-SZMVWBNQSA-N 268.404 3.806 30 20 CHED COc1cccc(CSCCOc2cccc(C#N)c2)c1 604064995 SZXXTSIGPOMWHL-UHFFFAOYSA-N 299.395 3.879 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1Cc1ccccc1C 604900835 POMAHIKGKYYKRR-DOTOQJQBSA-N 286.419 3.676 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(C#N)cc1 609034280 NKPPYSPZPLSKLV-MSOLQXFVSA-N 298.430 3.822 30 20 CHED C[C@H](N[C@H](C#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 610242368 QPTDYUHQAHIBKG-BLLLJJGKSA-N 281.315 3.510 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2C[C@@]2(C)c2ccccc2)n1 610280219 HJEFIPOABCZFCO-WMZOPIPTSA-N 277.371 3.712 30 20 CHED C[C@@H](NC(=O)NC1(C)CCCCC1)c1cccc(C#N)c1 610408173 MAOBXAUFWJJDJG-CYBMUJFWSA-N 285.391 3.641 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1ccccc1O 610480321 VLTLVAAMHKZYPN-ZDUSSCGKSA-N 255.342 3.619 30 20 CHED CC(C)(C#N)CCCN[C@H](Cn1cccn1)c1ccccc1 610582747 UQDQWKXVLRUFMZ-QGZVFWFLSA-N 296.418 3.544 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2cccc(Cl)c2Cl)C1 612235534 BLQURUNTEPRTFY-CQSZACIVSA-N 297.185 3.759 30 20 CHED C=CCN(C(=O)c1cc(C)c(Cl)cc1C)[C@H](C)COC 617582053 FNIWSEWDGLZIRI-CYBMUJFWSA-N 295.810 3.620 30 20 CHED C=CCCNC(=O)c1cnn(-c2ccccc2C)c1C(C)C 617617318 BFIADDZZQDXMQT-UHFFFAOYSA-N 297.402 3.610 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 642015764 IPKAOZWUUAIWJW-IIAWOOMASA-N 287.403 3.806 30 20 CHED C=CCOCCOc1cnc2c(C(F)(F)F)cccc2c1 650349055 QKZNOSDDQIDCKG-UHFFFAOYSA-N 297.276 3.835 30 20 CHED C=CCC1(NCC(=O)Nc2ccccc2Cl)CCCC1 661866775 VMGNUWUJEDSGBJ-UHFFFAOYSA-N 292.810 3.757 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc2nc(O)oc2c1 671763732 GDQJRYOSZTTXHV-CMPLNLGQSA-N 260.337 3.539 30 20 CHED C=C(CNC(=O)Nc1ccc(C)c(F)c1)c1ccccc1 672600387 DOGWWQWWFLESBQ-UHFFFAOYSA-N 284.334 3.969 30 20 CHED C=CCCC1(c2nc(-c3ccc(N(C)C)cc3)no2)CC1 684609567 ZHSKBEAQQHONJF-UHFFFAOYSA-N 283.375 3.800 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1c2ccccc2CC[C@@H]1C 684774199 SYLZCFBSLGVJLU-WLWJZTKJSA-N 285.431 3.881 30 20 CHED C=CCCOCc1nc(C2CCC(C)(C)CC2)no1 685403364 QNOUIVLJTKZXBY-UHFFFAOYSA-N 264.369 3.846 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 727219350 LIZNJFZQEWFZHI-VIFPVBQESA-N 289.158 3.880 30 20 CHED C=CCCOC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 729072740 XAESLVNYUBDAMV-AWEZNQCLSA-N 297.354 3.955 30 20 CHED C=CCCOC(=O)c1ccc(OC2CCCC2)cc1 729072814 XMGDLJGDCRPKSU-UHFFFAOYSA-N 260.333 3.741 30 20 CHED CC(C)(C)c1ccc(C=NNc2ccc(F)cn2)cc1 731319719 SYMWAVRMFBABRT-UHFFFAOYSA-N 271.339 3.964 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNc1cc(C)ncn1 731934597 DJCDUFLARDDVDU-CYBMUJFWSA-N 260.385 3.955 30 20 CHED CCCCCCC(=O)OCc1ccc(OCC#N)cc1 733451140 FQWQAENBRVOTIW-UHFFFAOYSA-N 275.348 3.603 30 20 CHED CSc1ccc(C=NOCCC(F)(F)F)cc1 740872849 VFJFDVBHEDAXAD-UHFFFAOYSA-N 263.284 3.711 30 20 CHED CCCCCC[C@H](C)C(=O)Nc1ccc(C#N)c(C#N)c1 741943226 NBGJVBPPZYFTPE-ZDUSSCGKSA-N 283.375 3.975 30 20 CHED C#CCOc1ccc(CN[C@@H](C)C[C@H](C)CC)cc1 742380300 LHNVITVUMNEUOJ-CABCVRRESA-N 259.393 3.613 30 20 CHED COc1cccc(NN=Cc2coc3ccccc23)c1 746566052 PQMYRVJLDWUJRN-UHFFFAOYSA-N 266.300 3.887 30 20 CHED C=C(Cl)CN(Cc1cccc(OC)c1)CC(C)C 746657715 HHVCJEZMYFSCGF-UHFFFAOYSA-N 267.800 3.906 30 20 CHED C=CC[C@H](NC(=O)c1cccc2[nH]ccc12)c1ccncc1 747394916 AKOJANAVXRGVRA-INIZCTEOSA-N 291.354 3.610 30 20 CHED COc1cccc(O)c1/C=N\[C@H](CCC#N)c1ccccc1 747691052 USUXISPJVQLFQB-FPXKJXHESA-N 294.354 3.865 30 20 CHED C=CCCCC(=O)OCc1ccc2ccccc2n1 748227741 UWZUQCAMCATXRP-UHFFFAOYSA-N 255.317 3.634 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2 748234655 VKDZBEUUTUYWEQ-CYBMUJFWSA-N 286.371 3.646 30 20 CHED C=CCN(C(=O)[C@@H](CC)Oc1cccc(C)c1)C(C)C 749320644 JSSGOVWPUPUREG-MRXNPFEDSA-N 275.392 3.575 30 20 CHED CC1(C)CCCC1=NNc1cnnc2ccccc12 749857664 DZAPPWUYTMAASW-UHFFFAOYSA-N 254.337 3.608 30 20 CHED CC(C)(COC(=O)Cc1ccc(C#N)cc1)c1ccccc1 750412808 NVTGCUZKANTFAV-UHFFFAOYSA-N 293.366 3.622 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 752874738 MLFMNKWJWQZVOT-YVMONPNESA-N 296.257 3.502 30 20 CHED CCCCC[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)C(C)C 753165073 WTSRDYORXZXJIZ-NVXWUHKLSA-N 278.440 3.991 30 20 CHED C#CCNC(=O)Nc1cc(C)ccc1Oc1ccccc1 753892898 GGBHZZHZRPAUDV-UHFFFAOYSA-N 280.327 3.542 30 20 CHED C#CC(=O)N[C@H](c1ccc([C@H](C)CC)cc1)C(C)C 753918153 XBZZJTWIVYBHGP-DYVFJYSZSA-N 257.377 3.647 30 20 CHED C#C[C@H](CC)NC(=O)CCCc1cccc(C(F)(F)F)c1 754372530 ACRGMPZQQHWYIR-CQSZACIVSA-N 297.320 3.556 30 20 CHED Cc1csc(C=NNc2nc3ccccc3s2)n1 755464320 OKJXVCCUDLXPSW-UHFFFAOYSA-N 274.374 3.507 30 20 CHED Cc1nc[nH]c1C=NN(c1ccccc1)c1ccccc1 755465795 PKRTZQGMNFEIFU-UHFFFAOYSA-N 276.343 3.890 30 20 CHED CCCc1ccc(C(C)=NO[C@H]2CCCCO2)cc1 755817010 IULMEGIFFVHYEP-INIZCTEOSA-N 261.365 3.906 30 20 CHED C=CCC[C@@H](C)NCc1cc(CC=C)c(OC)c(OC)c1 756689157 SVNWQMCVKMWKPB-CQSZACIVSA-N 289.419 3.877 30 20 CHED C=C[C@@H](CC(=O)OCc1nccs1)c1ccccc1 758919713 HIYGFPZNPQELRD-LBPRGKRZSA-N 273.357 3.546 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1cc(C)sc1C 759007106 KECJWZGQMVSJBV-UHFFFAOYSA-N 292.400 3.859 30 20 CHED CCC(=CC(=O)N(CCC#N)c1ccc(C)cc1)CC 759172065 PMDOIAGGLPFPOO-UHFFFAOYSA-N 270.376 3.988 30 20 CHED C#CCCCC(=O)OCc1ccc(C)c(Br)c1 759192257 SZLDXBQTQROUEW-UHFFFAOYSA-N 295.176 3.604 30 20 CHED Fc1cccc(NN=Cc2ccc(F)c3cccnc23)c1 759203148 URCNIKXSWLAEMV-UHFFFAOYSA-N 283.281 3.959 30 20 CHED CCC(CC)[C@@H](C)C(=O)Oc1ccc(C#N)cc1OC 761224174 ODIJGVWBDMQOLF-LLVKDONJSA-N 275.348 3.545 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 762046371 AWEGZZBQHCDGSG-OAHLLOKOSA-N 292.810 3.902 30 20 CHED C=CCCCOC(=O)c1cc(F)c(Cl)cc1F 764663172 HLSQJMZAVZTSBZ-UHFFFAOYSA-N 260.667 3.741 30 20 CHED COc1ccsc1C=NNc1cccc(Cl)c1F 764677602 FJDIKABJOSWFFL-UHFFFAOYSA-N 284.743 3.995 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1ccnn1C 766012229 UYQGFMKFNGWOQF-CYBMUJFWSA-N 284.407 3.618 30 20 CHED 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AWWZOLHFHINUAB-DZGCQCFKSA-N 267.413 3.602 30 20 CHED N#CC1(CCCCOC(=O)c2cc(F)ccc2F)CCC1 908744329 GYUYJXHVVRJSQW-UHFFFAOYSA-N 293.313 3.986 30 20 CHED C=C1CCC(C(=O)Nc2cc(C(=O)O)c(C)cc2C)CC1 909518098 XMVCSXFNWOWPQN-UHFFFAOYSA-N 287.359 3.687 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@@H](CO)C1 915853105 HXUJCIPNLPBFHQ-MRXNPFEDSA-N 283.456 3.748 30 20 CHED CCOc1cccc(C/N=C\c2cccc(OCC)c2O)c1 915982072 NZAWVGZEJRUUNC-UYRXBGFRSA-N 299.370 3.809 30 20 CHED C[C@H]1CN(CCOc2ccc(C#N)cc2)Cc2ccccc21 916151267 DICWBLOXKCWBTP-HNNXBMFYSA-N 292.382 3.556 30 20 CHED C[C@H](NN=C1CSCc2ccccc21)c1ccccc1 920382780 OJINLPWKBXBDEP-ZDUSSCGKSA-N 282.412 3.988 30 20 CHED N#CCN(C(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 920976123 GVLUHZWSQUOEHJ-DHZHZOJOSA-N 296.757 3.910 30 20 CHED COC(=O)c1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1 921263573 GXAFPHWKTBOSDI-YBEGLDIGSA-N 292.334 3.604 30 20 CHED CN(CCCCC1(C#N)CCC1)[C@@H](CO)c1ccccc1 929504080 LNBFWCDRZDQUSB-KRWDZBQOSA-N 286.419 3.516 30 20 CHED C[C@H]1CCN(C(=O)Nc2sccc2C#N)CC1(C)C 931838171 QJSRYYXECRCMJA-JTQLQIEISA-N 277.393 3.520 30 20 CHED N#Cc1ccsc1NC(=O)NCC1CCC(F)(F)CC1 931838791 JNFYJNKRMYIUEB-UHFFFAOYSA-N 299.346 3.567 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 1116131840 IZZASDFROHULLQ-WZUFQYTHSA-N 293.322 3.980 30 20 CHED C[C@H]1CCc2nc(C=NOC3CCCC3)sc2C1 1117742349 QYZWUFCKPXEZBE-JTQLQIEISA-N 264.394 3.561 30 20 CHED CC(C)CN(C(=O)c1csc(C#N)c1)c1ccccc1 1117888316 WIVLFMXUSXKTMH-UHFFFAOYSA-N 284.384 3.923 30 20 CHED CCCC[C@H](CCC)NC(=O)c1cccc(C#N)c1C 1126744237 OXJBYOOHDUVHCK-HNNXBMFYSA-N 272.392 3.955 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cccc(C#N)c1C 1127069351 MFBFOTNDCTUXKF-ZDUSSCGKSA-N 258.365 3.878 30 20 CHED CCc1cccc(Nc2nc(C#N)c(Cl)s2)c1 1161984621 IEGYKEJPXDJOSC-UHFFFAOYSA-N 263.753 3.974 30 20 CHED N#Cc1ccc(OCc2ccc(-c3ncco3)cc2F)cc1 1188202474 SMIBDUHLFZCGJQ-UHFFFAOYSA-N 294.285 3.931 30 20 CHED N#Cc1ncccc1SCc1cnc2ccccc2c1 1189337224 DMHUGDWFOCBUCT-UHFFFAOYSA-N 277.352 3.794 30 20 CHED Cc1ccc(C(=O)Oc2ccc3cccnc3c2)cc1C#N 1256568271 WLEQZUCJXSGXQQ-UHFFFAOYSA-N 288.306 3.634 30 20 CHED CCC(=O)c1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 1279276976 NQMHPIHKEYQBMG-UHFFFAOYSA-N 296.301 3.542 30 20 CHED N#Cc1cccc(NC(=O)NC2(C3CCCCC3)CC2)c1 1310076712 OMMDBKLHKGUMLY-UHFFFAOYSA-N 283.375 3.793 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)/C(=C/c1cncs1)C2=O 1319226245 DMGIMLQZWPWBBX-BVBCSLMJSA-N 271.341 3.541 30 20 CHED CCc1ccc(NC(=O)CC#Cc2ccccc2)cc1 1319307946 KLVPEVKIGGOHDT-UHFFFAOYSA-N 263.340 3.629 30 20 CHED CC(C)(C)ON=C1CCCOc2ccc(F)cc21 1319685347 PVLIPCULTMRHQG-UHFFFAOYSA-N 251.301 3.518 30 20 CHED CC(C)(C)[C@H]1CCCN(c2cccc(CC#N)n2)CC1 1320365101 WVOXXRXHNWUOSF-AWEZNQCLSA-N 271.408 3.800 30 20 CHED C=CCOc1ccc(/C=C/c2cc(C#N)ccn2)cc1OC 1321168564 BWSXFQHPRQNBOA-GQCTYLIASA-N 292.338 3.697 30 20 CHED C=CCCCCCN(C)C(=O)c1ncc(Cl)s1 1321477723 DYVGBPXXXUTDLT-UHFFFAOYSA-N 272.801 3.615 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1csc(C#N)c1 1324412554 LJXGPKNOJRFPPH-LRDDRELGSA-N 296.395 3.638 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1csc(-c2ccccc2)n1 1327377715 YQDOUNJAALTOJZ-GXTWGEPZSA-N 288.416 3.662 30 20 CHED Cc1ccc(C)c(C2CCN(C(=O)CC(C)(C)C#N)CC2)c1 1335373297 MAMJZFYBGXELPQ-UHFFFAOYSA-N 298.430 3.949 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc2cccnc12 1337558712 UQMFEERJSPRRIP-OAHLLOKOSA-N 280.371 3.806 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2ccncc2)CCCC1(C)C 1338877206 BQFUBIMRENHBHS-BBWFWOEESA-N 298.430 3.778 30 20 CHED CCn1c([C@@H](C)CCC#N)nnc1N(C)c1ccc(C)cc1 1342938595 AHBOFYBHRZNROH-AWEZNQCLSA-N 297.406 3.782 30 20 CHED CCc1ccc2occ(C(=O)O[C@@H]3CC[C@@H](C#N)C3)c2c1 1343365053 CWZFJZQIKOVASG-CHWSQXEVSA-N 283.327 3.844 30 20 CHED C=C(CC(C)C)C(=O)Nc1c(C)cc(N(C)C)cc1C 1348149678 RBSYXRREXLEEEY-UHFFFAOYSA-N 274.408 3.910 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2ncsc2c1 1353906270 SWJJVVGQKKMLSB-ZDUSSCGKSA-N 286.400 3.867 30 20 CHED C[C@H](CC(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1436643626 QMVKNQFNUXTEIL-GFCCVEGCSA-N 282.318 3.830 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@]2(C)CC2(C)C)n1 1458494727 CFNMCDDDXPMYNI-INIZCTEOSA-N 257.381 3.851 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)C(F)F)C1 1474763324 VEMKQXHRFZIDCR-XBFCOCLRSA-N 264.319 3.665 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc2c1OCC2 1517708249 GPWBQOBQIQAORD-AWEZNQCLSA-N 286.375 3.584 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 1517998443 TXCGUHYOTRJYFV-MBNYWOFBSA-N 270.376 3.878 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1cccc(C#N)c1C 1517998859 XOUNGUIQTIEYBO-UHFFFAOYSA-N 282.318 3.821 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H]1CCCC(F)(F)C1 1527618830 ODGQLDBZXSGKNQ-QWHCGFSZSA-N 286.366 3.705 30 20 CHED C[C@H](OC(=O)c1cccc2c1CCC2)c1ccc(C#N)cc1 1533619354 NQPQOCLBZNEMFH-ZDUSSCGKSA-N 291.350 3.965 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1543992252 OQMYWUAGNPYDDB-XJKSGUPXSA-N 290.794 3.857 30 20 CHED N#Cc1c(NCc2ccc3c(c2)CCCC3)n[nH]c1C1CC1 1560499019 JFDAZXLMENUVRR-UHFFFAOYSA-N 292.386 3.650 30 20 CHED C=CC[C@H](SCc1cc(C)cc(C)c1)C(=O)O 1588759693 ZBEGUXFZYOHHDC-ZDUSSCGKSA-N 250.363 3.566 30 20 CHED CC(C)(C)[C@H]1CCCN1C(=O)[C@H](C#N)CCc1ccccc1 1620921988 NCYRYZDMOIIBAI-DLBZAZTESA-N 298.430 3.796 30 20 CHED CC(C)c1ncc(C(=O)Nc2cc(F)cc(C#N)c2)s1 1624291048 IIDWLHKAAZYVHG-UHFFFAOYSA-N 289.335 3.530 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1F)C1CCCC1 1625454693 CMONBWCOFYARCH-CQSZACIVSA-N 289.354 3.788 30 20 CHED CC1CC(C#N)(C(=O)NCC[C@H]2C[C@H](C)CC(C)(C)C2)C1 1626528811 TXGZBMFAFDHVAR-CQDIZWNASA-N 290.451 3.895 30 20 CHED Cc1nnc(NCC[C@@H](C)CC(C)(C)C)c(C#N)c1C 1642572201 UTILRERUXLGSEC-LLVKDONJSA-N 274.412 3.839 30 20 CHED CC(C)c1cccc2c1CCN(CC1(CC#N)CC1)C2 1642964467 WFKNPJUMGZELGZ-UHFFFAOYSA-N 268.404 3.862 30 20 CHED Cc1cc(SCc2nnc(-c3ccco3)o2)ccc1C#N 1652058072 DLJNGQWGNYWBSW-UHFFFAOYSA-N 297.339 3.802 30 20 CHED N#C[C@@H](c1ccccc1)N1CCc2c(Cl)cccc2C1 1653420579 XSZRASCOOOAWQM-KRWDZBQOSA-N 282.774 3.963 30 20 CHED CC[C@H](C)[C@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1 1655161137 WTHOOUFPLYAAJA-STQMWFEESA-N 296.374 3.987 30 20 CHED Cc1nc(N[C@@H]2CCC(C)(C)C[C@H]2C)ccc1C#N 1655220016 UPCFHIBUTUGTNL-BXUZGUMPSA-N 257.381 3.888 30 20 CHED Cc1ccc([C@@H](C)CN(CCC#N)CC(C)C)cc1 1657582142 DAGXAAGHJVUKJP-INIZCTEOSA-N 258.409 3.970 30 20 CHED Cc1cc(CN2CCc3ccccc3[C@H]2C)ccc1C#N 1658209870 HILMQAUKKAVCRY-OAHLLOKOSA-N 276.383 3.986 30 20 CHED COc1ccc(CN(C)C[C@@H](C)C#N)cc1C(C)(C)C 1659132461 KXEHDIIBSPBCBO-ZDUSSCGKSA-N 274.408 3.584 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)Nc2cc(C#N)ccc2F)C1 1662505122 OOTSHLNEHDEFER-PJXYFTJBSA-N 289.354 3.644 30 20 CHED CC(C)ON=Cc1ccc(-c2cccc(CC(=O)O)c2)cc1 1776077722 UTDLYHARIGUSON-UHFFFAOYSA-N 297.354 3.740 30 20 CHED CC(C)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 7924561 ZDIMQEUDKRWEHB-KRWDZBQOSA-N 296.345 3.824 30 20 CHED C=CCN(CC=C)C(=S)Nc1cc(C)ccc1C 13824156 JQNPWJIQVDETPP-UHFFFAOYSA-N 260.406 3.674 30 20 CHED CC(C)(C)c1ccc(OCCNc2ncccc2C#N)cc1 25371660 TWGRFZORRGOIMG-UHFFFAOYSA-N 295.386 3.742 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2nccn2C2CC2)cc1 26121382 OHDKWQXYRRTOQR-HNNXBMFYSA-N 283.400 3.753 30 20 CHED N#Cc1cccc(CNc2cnc3ccccc3c2)c1 36989913 SOTOZTIKOLFRSO-UHFFFAOYSA-N 259.312 3.719 30 20 CHED COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 36991900 IUJIAHWLPOAMPE-KGLIPLIRSA-N 280.371 3.979 30 20 CHED CC(C)Cc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 41493485 VIEXHQCIWPXPPL-MRXNPFEDSA-N 278.355 3.770 30 20 CHED Cc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1C 45027172 PBHRBSYHYBTYBC-UHFFFAOYSA-N 265.316 3.819 30 20 CHED N#C[C@H](C(=O)c1cc2c(s1)CCCC2)c1ccccn1 46705628 PZQMNQMEBVFVIK-LBPRGKRZSA-N 282.368 3.512 30 20 CHED C[C@H]1CCCCN1CCCNc1cccc(Cl)c1C#N 48936440 BHGXXZNQONNGEU-ZDUSSCGKSA-N 291.826 3.888 30 20 CHED Cc1cccc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 49373208 DYJYBHXQCPOVHR-CZUORRHYSA-N 290.432 3.530 30 20 CHED CC[C@H](CC#N)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 54182239 FXMNYEHLWWPXKQ-CMPLNLGQSA-N 286.297 3.928 30 20 CHED CN(C(=O)CCCc1ccccc1)c1cccc(C#N)c1 59095741 AUNXRSAKQRRNOS-UHFFFAOYSA-N 278.355 3.544 30 20 CHED N#Cc1ccc(C(=O)/C=C/C2=Cc3ccccc3OC2)cc1 60330712 UUZQVRZDHDIJLY-JXMROGBWSA-N 287.318 3.773 30 20 CHED N#Cc1cccnc1N1CCC2(CCCCC2)CC1 61559585 WRVZKHVQLWBCMX-UHFFFAOYSA-N 255.365 3.504 30 20 CHED CCN(Cc1c(C)cc(C)c(C(C)=O)c1C)C[C@H](C)C#N 66424402 IIWKXXGDDQXMMZ-GFCCVEGCSA-N 286.419 3.796 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC[C@H](C)c2ccccc21 69354091 TVEXREHKDKKPQM-UONOGXRCSA-N 273.376 3.508 30 20 CHED N#C[C@@H](NC(=O)c1coc2ccccc12)C1CCCCC1 70392071 IZDQCUJFZDNWJR-OAHLLOKOSA-N 282.343 3.635 30 20 CHED C=CCN(C(=O)c1ccc(F)c(F)c1)c1ccccc1 71819225 CBNFLZARXDXSNM-UHFFFAOYSA-N 273.282 3.798 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCc3ccccc32)n1 73109607 BMSUXIUAVZZGRM-MRXNPFEDSA-N 263.344 3.670 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCCC[C@@H]1c1ccco1 76511522 GKNZQMDNIHJUJF-LSDHHAIUSA-N 291.391 3.705 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CCS1 78590346 LZLPGTXUAWKYCC-GFCCVEGCSA-N 266.797 3.543 30 20 CHED C=CCOCCCC(=O)N1CCCc2cc(Cl)ccc21 79616943 QWXDJBWAEMHCSA-UHFFFAOYSA-N 293.794 3.602 30 20 CHED N#Cc1ccc(OCCCc2ccccc2)cc1F 83794751 ROJSQHMYBJVDLT-UHFFFAOYSA-N 255.292 3.709 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc2ccc(Cl)cc2n1 83940379 NOXDJKNWQBBCBX-AWEZNQCLSA-N 288.734 3.593 30 20 CHED N#Cc1csc(C(=O)N2CCCCc3ccccc32)c1 84077947 XCIQTRQJARUIGX-UHFFFAOYSA-N 282.368 3.603 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1cccc(Cl)c1Cl 86280281 RHPWRTZYYYLHPK-MRVPVSSYSA-N 286.162 3.759 30 20 CHED C=CCC[C@@H](NCc1cccnc1OCC(F)F)C1CC1 90942088 DNMMGUHZSMSIQA-CQSZACIVSA-N 296.361 3.560 30 20 CHED CCN(Cc1cccc(OC(F)(F)F)c1)C[C@H](C)C#N 91983918 GLODUKYZZYZIPM-LLVKDONJSA-N 286.297 3.567 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cnn(C(C)C)c1C 92279134 DEFFWQVHRIKFMK-UHFFFAOYSA-N 297.402 3.601 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](C)CC2)cc1 92586198 QHQWFEJMIISNQN-CABCVRRESA-N 272.392 3.599 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(CCC#N)CC2CC2)o1 93091444 RODZEJMUYLIJMK-DOMZBBRYSA-N 258.365 3.529 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1cc(C#N)cs1 93149676 IDIVZCFAMLBRHN-GFCCVEGCSA-N 268.385 3.739 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(Cl)cc2)ccc1O 96792745 REMYTIQITMSNEO-YWEYNIOJSA-N 288.730 3.950 30 20 CHED N#CC1(C(=O)N(Cc2ccccc2)CC2CCC2)CCCC1 98115305 YWXHOQQEGADHHP-UHFFFAOYSA-N 296.414 3.899 30 20 CHED C=C(C)CN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 103469020 GCOBAFWOZRETGT-UHFFFAOYSA-N 282.387 3.842 30 20 CHED C=C(C)CN1CCC(NCc2ccc(Cl)s2)CC1 106245671 VJSOAUGLEHONDN-UHFFFAOYSA-N 284.856 3.532 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 107202680 RTEUPNKQGDDRBK-STQMWFEESA-N 295.304 3.975 30 20 CHED CCCN(CC#N)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 107565222 RFLKVKHZJVFUDU-ROUUACIJSA-N 292.382 3.705 30 20 CHED CCCCCCCCN1CCC[C@@H](CC(=O)O)C1 111897730 RXWIOYJJBMIXMW-AWEZNQCLSA-N 255.402 3.534 30 20 CHED COc1ccc(/C=C/C(=O)c2occc2C)cc1F 119045424 MLENQXZBIZQVHE-HWKANZROSA-N 260.264 3.632 30 20 CHED Cc1nc(C)c(C#N)c(SCCCCC(F)(F)F)n1 119090525 HGYGNVXSYOYIRV-UHFFFAOYSA-N 289.326 3.790 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCC(C)C 119972686 VWQMYAMBQGYNKU-UHFFFAOYSA-N 263.356 3.777 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)oc2C)c1 120505195 VGDMKXYNUHFIDN-KRWDZBQOSA-N 298.386 3.867 30 20 CHED CCCCc1noc(CSCc2ccccc2C#N)n1 120851584 NFHVIGSYTIVWKI-UHFFFAOYSA-N 287.388 3.717 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 128354986 LRYAWHVMGJZJEI-UONOGXRCSA-N 295.386 3.683 30 20 CHED C#Cc1cccc(NCc2cnc(C(C)C)s2)c1 130468281 PAYHYICZLDAKOM-UHFFFAOYSA-N 256.374 3.860 30 20 CHED Cc1cc(C#N)ccc1COC(=O)/C=C/c1cccs1 131252481 RNUSUXXHJFQZHO-VOTSOKGWSA-N 283.352 3.685 30 20 CHED C=CCC(CC=C)C(=O)Nc1nn(-c2ccccc2)cc1C 131645514 ZNFHIFVTKAHUBB-UHFFFAOYSA-N 295.386 3.888 30 20 CHED C=CCCN1CCC(c2c[nH]c3ccc(OC)cc23)CC1 132608579 CMWITTZSXQGKDO-UHFFFAOYSA-N 284.403 3.932 30 20 CHED C=C(Br)CNC(=O)CCCCCCCC 133247521 JCCFOKNVIPQVTD-UHFFFAOYSA-N 276.218 3.762 30 20 CHED C=CCC[C@@H](NC(=O)c1cc[nH]c1C)c1ccccc1 133715868 OHNPLYTUWKQRAQ-MRXNPFEDSA-N 268.360 3.760 30 20 CHED C=C(Br)COc1ccc(Cl)c(F)c1 134393981 YSJRUBGNNPFGTB-UHFFFAOYSA-N 265.509 3.767 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 135713331 WZOJDHMMMFCFLF-STQMWFEESA-N 260.381 3.650 30 20 CHED CCCCOc1ccccc1CN1CCC(C#N)CC1 136177855 AUYJEAYJGQDNDQ-UHFFFAOYSA-N 272.392 3.601 30 20 CHED CC(C)(C)c1ccc(C2CCN(C(=O)CC#N)CC2)cc1 148366588 QJLJMKVZQDUUMJ-UHFFFAOYSA-N 284.403 3.604 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2ccc3c(c2)CCC3)c(F)c1 150877616 WHFLCXFEPUJXNN-UHFFFAOYSA-N 298.292 3.577 30 20 CHED N#Cc1ccc(-c2nnc(CSc3cccs3)o2)cc1 150898254 WIPRFPJXXSIJAS-UHFFFAOYSA-N 299.380 3.962 30 20 CHED Cc1ccc2ncc(/C=C3/Cc4ccc(F)cc4C3=O)n2c1 151439312 BFUFFFSLWCUKGW-QPEQYQDCSA-N 292.313 3.604 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](c1ccco1)N1CCCC1 152270556 YFEWRJMWWRWJBP-JYJNAYRXSA-N 276.424 3.607 30 20 CHED COC(=O)c1cc(NCCCC(C)(C)C#N)ccc1C 154256023 WUPBIXSUSJEFCY-UHFFFAOYSA-N 274.364 3.524 30 20 CHED C=CCN(C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 156260449 ZFHZTVAIQBIKLF-UHFFFAOYSA-N 287.407 3.573 30 20 CHED N#CCN(Cc1csc(-c2ccoc2)n1)C1CCCC1 156612684 IDMHWIPMOUZJRZ-UHFFFAOYSA-N 287.388 3.671 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(F)ccc1F 156775583 DUUKJAFWKVKDIK-UHFFFAOYSA-N 267.319 3.783 30 20 CHED CN(CCC(C)(C)C#N)Cc1cc([N+](=O)[O-])ccc1Cl 157578196 ABGIZFWNHLJKQK-UHFFFAOYSA-N 295.770 3.620 30 20 CHED Cc1cccc(C(=O)Nc2ccc(F)c(C#N)c2)c1Cl 160329659 HYKNYLMGBKILGH-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc2c(s1)CCCCCC2 162143464 WHWWWQLVQICHNT-INIZCTEOSA-N 290.432 3.829 30 20 CHED N#CCC[C@H](Nc1cncc(Cl)n1)c1ccccc1 164338083 CXOAZBYJYBTKDA-LBPRGKRZSA-N 272.739 3.587 30 20 CHED C=C(C)CN(C)c1ccc(C#N)c(C(F)(F)F)c1 165860892 YMFCBDVSESYGGW-UHFFFAOYSA-N 254.255 3.589 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C1 166721970 KWOIRJGYSWGFOL-YPMHNXCESA-N 291.376 3.553 30 20 CHED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCCCCC#N 170997345 YQYCRFWCBFOKBJ-OAHLLOKOSA-N 299.418 3.691 30 20 CHED CCCCCCCC(=O)Nc1nc2c(s1)COCC2 171019432 ISVOQWICRUGFOH-UHFFFAOYSA-N 282.409 3.515 30 20 CHED N#CCCCCNC(=O)CCSc1ccc(Cl)cc1 171506599 PIXVQCVRUUGZFI-UHFFFAOYSA-N 296.823 3.632 30 20 CHED C=CCCCN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 172179643 RDHVTMYDFCUUJJ-AWEZNQCLSA-N 296.455 3.578 30 20 CHED CC(C)c1cnc(NC(=O)c2cccc(CC#N)c2)s1 172673867 VXBRURLFNDKVAN-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](c1ccccc1)C(C)C 173424779 LYOQNDVNURVBSR-INIZCTEOSA-N 259.393 3.851 30 20 CHED C=CCCC(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 173495361 QUDCHHOHMQKGSN-FUHWJXTLSA-N 287.403 3.545 30 20 CHED C=CCCC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 173949008 PRVMEUWUXTVXDO-ZBFHGGJFSA-N 257.377 3.605 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)cc(C)c1O 175696132 KKVVBOJOUBJJFS-UHFFFAOYSA-N 253.729 3.649 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 176020113 TYKSKWBSAMPBHR-RSPDNQDQSA-N 297.276 3.954 30 20 CHED CC(C)n1cc(C#N)c(NC(=O)CCC2CCCCC2)n1 176997638 KHZZYGIINSYXTK-UHFFFAOYSA-N 288.395 3.635 30 20 CHED CCOC(=O)[C@H](CC)S[C@H](C)c1ccc(C#N)cc1 177370270 WPCTVYNNHBHLCL-RISCZKNCSA-N 277.389 3.694 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSc1ccccc1 182658433 AYKDWLGVBAGEDE-CYBMUJFWSA-N 263.406 3.640 30 20 CHED Cc1nc(-c2ccccc2)oc1C(=O)OCC1(C#N)CCC1 183861557 KJPAXZKTXMMJIE-UHFFFAOYSA-N 296.326 3.501 30 20 CHED C=C(C)[C@H](NC(=O)N(C)C(C)C)c1ccc(F)c(F)c1 185841713 PYJOIWAGCARICL-AWEZNQCLSA-N 282.334 3.632 30 20 CHED CCCCCCCN1CCSC2(CCOCC2)C1 186798252 MIVKFLRHZMUXTL-UHFFFAOYSA-N 271.470 3.555 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 187515862 FQOLCNZSGRKJTC-KFWWJZLASA-N 276.424 3.744 30 20 CHED C=CCCC(=O)N[C@@H](C)CSc1ccc(C)cc1 187570476 CSIWDPJVHFRPAB-ZDUSSCGKSA-N 263.406 3.558 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2ccc(F)cc21 187823848 KJZNWCUBBLJMDV-INIZCTEOSA-N 261.340 3.707 30 20 CHED CC[C@@H](CC#N)OC(=O)c1csc(-c2cccs2)n1 187905393 PGBCSYDAQVYPFW-VIFPVBQESA-N 292.385 3.721 30 20 CHED N#Cc1cc(N[C@H]2CCOC2)ccc1Oc1ccccc1 189947986 GLWZCRUKIYAOKV-HNNXBMFYSA-N 280.327 3.551 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1cc(C#N)cs1 191371880 HCXBMUWYGNJFLS-UHFFFAOYSA-N 285.372 3.612 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cc(C#N)n(C)c2)o1 191434189 AZNYIPZYUXGOKH-GUYCJALGSA-N 297.402 3.771 30 20 CHED N#Cc1ccc(CC(=O)Nc2cccc(C(F)F)c2)cc1 195419980 NXGRDLDEJAWUJC-UHFFFAOYSA-N 286.281 3.677 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1F 214945472 BQHXZOUUUMZAPS-ALCCZGGFSA-N 274.266 3.870 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CCC[C@@H](C)[C@H]1C 229136686 JLWVLCRONJCICD-SUYBPPKGSA-N 256.393 3.781 30 20 CHED C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccsc1 235554695 CYUGMYRSLMHFDQ-LURJTMIESA-N 269.782 3.903 30 20 CHED CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2)C12CCCCC2 236987357 QVXVBWFXJBHQEC-ROUUACIJSA-N 298.430 3.776 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 248551633 ISEUGGDVSGMSSN-OLMNPRSZSA-N 286.419 3.803 30 20 CHED Fc1ccccc1C=NOCc1cccc(OC(F)F)c1 255557817 HSDKSZXPPHUAQQ-UHFFFAOYSA-N 295.260 3.978 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1 255670515 RWDOCYUJVKEKHW-FLIBITNWSA-N 276.339 3.520 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3ccc(F)c(F)c3)cnc12 255906430 QQDVNRHNVYPKEW-ALCCZGGFSA-N 298.292 3.817 30 20 CHED Cc1ccc(N/C(N)=N/[C@@H]2C[C@H]2c2ccccc2F)cc1C 263210529 YYJJTONEPUCTNC-DOTOQJQBSA-N 297.377 3.725 30 20 CHED C[C@@H](C#N)CN(C)[C@H](C)c1cccc(Br)c1 268910201 MVKHHMVQKUEBCU-WDEREUQCSA-N 281.197 3.602 30 20 CHED CC/C(N)=N/OCc1nc(C)c(-c2ccc(Cl)cc2)o1 269076559 IPUCZWFITAHVFQ-UHFFFAOYSA-N 293.754 3.502 30 20 CHED C=C[C@H](CC(=O)N1CCCc2ncccc21)c1ccccc1 270197810 CUYGCNIYRZCVRE-OAHLLOKOSA-N 292.382 3.721 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(-c2ccccc2)o1 271124717 KFQIDDBNKWPHQZ-ZDUSSCGKSA-N 254.333 3.538 30 20 CHED Cc1cccc([C@@H]2CCN(CCC(C)(C)C#N)C2)c1 273091633 MSJOWQHVXZOUTA-MRXNPFEDSA-N 256.393 3.724 30 20 CHED C=CCCCCNC1CCC(c2nc(CC)no2)CC1 274625684 XVAWJPSFYGJESO-UHFFFAOYSA-N 277.412 3.604 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2Cc2ccccc2)C1 274648483 SKYOFBBHPVOBPW-BDXSIMOUSA-N 268.404 3.680 30 20 CHED C=CCN(C)C(=O)c1cccc2c1ccn2CC(C)C 278609345 LGFMGLMLIHQGGA-UHFFFAOYSA-N 270.376 3.555 30 20 CHED C#Cc1ccc(CNCc2ccc(OC(C)(C)C)nc2)cc1 278972830 OTTIBQKLGODOEP-UHFFFAOYSA-N 294.398 3.530 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 279730867 RXJLPSOUSUGQSL-KRWDZBQOSA-N 283.415 3.813 30 20 CHED CCN(CC)C(=O)c1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 280669850 LYKXPLQNFHTDJW-YOEHRIQHSA-N 299.418 3.663 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccccc1C 280713696 UGXDIUDTYKSCEE-UXLLHSPISA-N 259.393 3.627 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC)Cc1cccs1 281358001 NDDSMOACIJVMHV-LBPRGKRZSA-N 266.410 3.634 30 20 CHED C=CC[C@H](CC)N[C@H](C)Cc1ccc(OC)c(OC)c1 281762526 WLBXBNNROPPFMO-HIFRSBDPSA-N 277.408 3.579 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(-c2csc(C)n2)c1 284978246 LZEOOTSUBHUXJE-MRXNPFEDSA-N 299.399 3.997 30 20 CHED C=CCC[C@@H](CC)N[C@H](C)c1c(F)cncc1F 285726939 QPGVCSXOJJGMLA-GHMZBOCLSA-N 254.324 3.755 30 20 CHED N#Cc1ccnc(N[C@@H]2CCCc3ccc(F)cc32)c1 287695586 KCIDVGKOMQKGKN-OAHLLOKOSA-N 267.307 3.582 30 20 CHED Cc1csc(NC(=O)C[C@@H]2CC[C@H](C)C2)c1C#N 288896668 SNUPOPDIWUXNPI-GXSJLCMTSA-N 262.378 3.693 30 20 CHED CC#CCCCc1nc(CCn2ccc3ccccc32)no1 289927387 XVEATSIQWZCXPC-UHFFFAOYSA-N 293.370 3.613 30 20 CHED CC(C)(C)N(Cc1ccccc1)C(=O)CCCC#N 291679771 IWHNJZCSZWQXNX-UHFFFAOYSA-N 258.365 3.508 30 20 CHED C=CCC(C)(C)c1nc(-c2ncccc2CC)no1 291987187 WFTSKUHLGVYBHE-UHFFFAOYSA-N 257.337 3.548 30 20 CHED Cc1ccc(C(C)(C)C)cc1SC[C@H](O)CC#N 296296652 MIEXGXDUKGYODX-CYBMUJFWSA-N 263.406 3.659 30 20 CHED C=CCn1c(SCC=C(C)C)nnc1-c1ccncc1 298092634 PPSSWYMGLXLBPW-UHFFFAOYSA-N 286.404 3.584 30 20 CHED C[C@H](CCC#N)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 298605481 SRBHQXZNDINMKW-WKPIXPDZSA-N 296.773 3.591 30 20 CHED N#Cc1ccc(N(Cc2cccs2)C2CC2)c([N+](=O)[O-])c1 301276369 OXHDBJYGGLQNNU-UHFFFAOYSA-N 299.355 3.697 30 20 CHED C[C@H](CNc1ccc(C#N)cc1)Oc1ccccc1F 301422856 CPWKIFBDQCHUNO-GFCCVEGCSA-N 270.307 3.577 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2F)nc(C(C)C)n1 301716904 XVUODSPJTOKUID-UHFFFAOYSA-N 271.295 3.712 30 20 CHED C=CCCC[C@H](C)Nc1ncnc2c1cnn2C(C)(C)C 301981492 BCSJOUXAWRHXEJ-LBPRGKRZSA-N 287.411 3.738 30 20 CHED COC1(CNc2ccc(C#N)c(Cl)c2)CCCCC1 302343753 CEIXQRYXBCGQNT-UHFFFAOYSA-N 278.783 3.973 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 302852072 JDPMPVPZAGPEJZ-JKSUJKDBSA-N 252.292 3.665 30 20 CHED CC(C)c1nc(CCNc2c(C#N)cccc2C#N)cs1 302886752 NHUDSZSKRVXTLC-UHFFFAOYSA-N 296.399 3.664 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1c(C#N)cccc1C#N 302909725 YSRKBODSOGMQKJ-CQSZACIVSA-N 275.355 3.781 30 20 CHED Cc1cccc(C)c1/C=C/B1OC(C)(C)C(C)(C)O1 306641193 LMCYGLNFJHQCFX-ZHACJKMWSA-N 258.170 3.948 30 20 CHED C=C(Br)CNc1nc(CC)nc2sccc12 309650831 NZAIYPGAVBGXCD-UHFFFAOYSA-N 298.209 3.574 30 20 CHED CCC1(C)CCN(c2nc(Cl)c(C#N)s2)CC1 310208362 CYRYQPXPXLFJFM-UHFFFAOYSA-N 269.801 3.685 30 20 CHED CCCOc1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1 314982274 GYUVOIADNMXASG-UHFFFAOYSA-N 294.354 3.624 30 20 CHED Cc1nnc(CSC/C(O)=N/C2CCC(C)CC2)s1 329165189 HEPFMJAEHOGPPN-UHFFFAOYSA-N 299.465 3.615 30 20 CHED Cc1nnccc1N=C(O)C[C@H]1CCCCC1(C)C 329469593 XPTUEXUPSCCMDY-GFCCVEGCSA-N 261.369 3.980 30 20 CHED Cc1coc2ccc(N=C(O)[C@H]3CCO[C@H]3C)cc12 330059897 LSUZXBLDWCYSMT-JQWIXIFHSA-N 259.305 3.754 30 20 CHED CCn1c(/C(O)=N/C(C)(C)C(C)(C)O)cc2ccccc21 330636160 VBLLJUJUGQDDGM-UHFFFAOYSA-N 288.391 3.515 30 20 CHED CCSc1cccc(N=C(O)N[C@H]2CCC[C@@H]2C#N)c1 330891214 JVLJEUHZIIDYBQ-RISCZKNCSA-N 289.404 3.626 30 20 CHED Cc1ccc(Cl)c(N/C(O)=N/CC[C@H](O)C(C)C)c1C 331229280 GTEQUAJPCUKBNS-ZDUSSCGKSA-N 298.814 3.690 30 20 CHED CC1(C)CCc2ccccc2[C@@H](NC(=O)C(C)(C)C#N)C1 331393882 FBMLGFFSTRVEET-HNNXBMFYSA-N 284.403 3.756 30 20 CHED N#C[C@]1(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CC12CCCC2 333534604 JSWICJAQMPNGDZ-MPGHIAIKSA-N 286.419 3.545 30 20 CHED CC[C@@H](c1ccc(C#N)cc1)N1CCC[C@@]2(CCOC2)C1 334531018 NGVCAVAAVIXYBP-ZWKOTPCHSA-N 284.403 3.512 30 20 CHED COc1cc(N[C@H]2CC[C@H](C#N)C2)ccc1Br 334695263 STKOCOYPCIHCFJ-UWVGGRQHSA-N 295.180 3.562 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](c2cccnc2)C1 335419777 XQGBPHNPMJELIH-KSSFIOAISA-N 277.371 3.504 30 20 CHED N#CC1(c2ccccc2)CCC(N[C@H]2CC[C@@H](F)C2)CC1 336625768 SOOOCQIFIRKJEP-ZLZJIPBDSA-N 286.394 3.871 30 20 CHED C=CCSc1ccccc1C(=O)Nc1ccc(F)cn1 336885390 JADNYDDOGCYFMP-UHFFFAOYSA-N 288.347 3.751 30 20 CHED C=CCC[C@@H](NCCOCC(C)C)c1ccccc1 337302495 PQULBHYWYQIFIU-QGZVFWFLSA-N 261.409 3.956 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC2(CCCC2)CC1 338130394 SNUHKOMPNQKKCU-UHFFFAOYSA-N 282.387 3.663 30 20 CHED CC(C)c1nc(CSCc2cccc(C#N)c2F)no1 340880268 BUZULUAWPCKSOK-UHFFFAOYSA-N 291.351 3.637 30 20 CHED CC(C)(C)c1ccc(NC(=O)c2cnccc2C#N)cc1 340902160 KNFDHYHYOHCVNX-UHFFFAOYSA-N 279.343 3.503 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 341019904 XABHQUMWFATVID-WBMJQRKESA-N 288.366 3.738 30 20 CHED C=C1CCN(C(=O)c2ccc(SC3CC3)cc2)CC1 341301791 FQQIVEFVSHWGFX-UHFFFAOYSA-N 273.401 3.733 30 20 CHED CC1(C)CN(C(=O)c2ccc(CC#N)cc2)CC(C)(C)C1 341460065 LLXRJABWVDHBOJ-UHFFFAOYSA-N 284.403 3.651 30 20 CHED C=C(CNC(=O)[C@@H](SCC)C(C)C)c1ccccc1 345708253 HQQLTZIFDKHBJS-HNNXBMFYSA-N 277.433 3.594 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1SCCc2sccc21 352544769 CTFYXDFCECWULG-CYBMUJFWSA-N 295.473 3.797 30 20 CHED C=C1CCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 353308560 NZRBIWDVNHVNDV-UHFFFAOYSA-N 299.393 3.780 30 20 CHED Cc1cc(C)c(CN(CCC#N)CC2CC2)cc1C 353415408 HVRWWBPSSYTZLG-UHFFFAOYSA-N 256.393 3.738 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 355645785 RQEKSZZNDNQFHR-ZDUSSCGKSA-N 297.402 3.897 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 356121416 VYWSIRSRIHWEIX-SMDDNHRTSA-N 291.341 3.683 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H](C)C3(CCC3)C2)n1 356787611 CPJBZCPLPMGBAD-CYBMUJFWSA-N 269.392 3.587 30 20 CHED C=CC[C@@H](C(=O)Nc1cnc(C(C)C)nc1)c1ccccc1 358471639 ARURNLFPQKNLIY-MRXNPFEDSA-N 295.386 3.898 30 20 CHED CN(C(=O)CCSc1ccccc1)c1ccc(C#N)cc1 359767858 VWODBIVQIUCVNR-UHFFFAOYSA-N 296.395 3.703 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc2cccnc2c1 359853543 IXRAPHGEUINUMX-UHFFFAOYSA-N 271.279 3.770 30 20 CHED CC(C)(C#N)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 371203963 DTPPXVFEHJMHHM-SJORKVTESA-N 281.403 3.698 30 20 CHED C#CCCCC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 372952627 HCMKGQMLXUTMAF-PKOBYXMFSA-N 281.399 3.718 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@H]1C[C@H](c2ccccc2)C1 376987069 GRAKZDZOKVNCFM-WKILWMFISA-N 299.418 3.562 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1C 402550918 HICXDHVPTPLFPB-LLVKDONJSA-N 284.281 3.784 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N1CCC(CCC#N)CC1 402751448 VXKJNTZLJLZZET-LBPRGKRZSA-N 290.329 3.507 30 20 CHED CCCC[C@@H](CC)C(=O)NCc1ccc(C#N)c(F)c1 404568123 FHLLXJNWVMXMES-CYBMUJFWSA-N 276.355 3.530 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC2(CC1)CC2(F)F 404951623 PTIWQNNNZZLFFH-UHFFFAOYSA-N 282.721 3.837 30 20 CHED CCN(CCC1CCN([C@H](C)CCC#N)CC1)CC(C)C 411438211 BLGVZXHVNFCPAW-QGZVFWFLSA-N 293.499 3.759 30 20 CHED C=CCC1(C(=O)NC2CCC(COC)CC2)CCCCC1 412696535 KQKAOENGVXVBNE-UHFFFAOYSA-N 293.451 3.834 30 20 CHED COc1ccc(CC[C@H](C)Nc2ncc(C#N)cc2F)cc1 413089195 WOIUOAWDWLKSDH-LBPRGKRZSA-N 299.349 3.534 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C=C 413990834 UHVZPMONRASPNU-HNNXBMFYSA-N 257.377 3.502 30 20 CHED CC[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)[C@H]1CC1(C)C 416066704 BPXIRAQOMJWTOV-MAZHCROVSA-N 284.403 3.603 30 20 CHED C=CCCc1noc(-c2cccc(CN3CCCCC3)c2)n1 420505700 RYHPSAWSAHKVGU-UHFFFAOYSA-N 297.402 3.841 30 20 CHED CC1(C)CCC[C@@H](CC(=O)NCc2ccc(C#N)s2)C1 421604742 RBFMUDIITDIQQT-LBPRGKRZSA-N 290.432 3.842 30 20 CHED C=CCC[C@@H](NCc1ccc2c(c1)CCCN2)C1CC1 423446522 OGTZBCSUQQQGKA-QGZVFWFLSA-N 270.420 3.879 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2N[C@@H]1CC[C@H](C#N)C1 424318065 CLGRIQUBAJERGV-AYDFFVQHSA-N 254.377 3.825 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[C@H](C#N)C1 424328720 OFTAOZKKMDHUJA-OSAQELSMSA-N 296.336 3.918 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2oc(COC)nc2c1 424703171 GWRHSENUAKIGJW-UHFFFAOYSA-N 288.347 3.515 30 20 CHED C[C@H](O)CCc1ccc(OCc2cccc(F)c2C#N)cc1 427527939 NKMGPAFFPJNCRN-ZDUSSCGKSA-N 299.345 3.590 30 20 CHED CCN(Cc1cccc(F)c1)Cc1cccc(F)c1C#N 428473212 LQVWEPWRHDLZAI-UHFFFAOYSA-N 286.325 3.859 30 20 CHED C=CCCCC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 430668945 YWGQPDADGNPKJI-PXAZEXFGSA-N 275.367 3.922 30 20 CHED CN(CC(C)(C)C#N)c1nc(-c2ccccc2)cs1 432143894 SHCPGNSCRQKLCZ-UHFFFAOYSA-N 271.389 3.796 30 20 CHED CC(C)C1CCC(N(C)c2cnccc2C#N)CC1 432882128 WKCXBUFSHRPUGZ-UHFFFAOYSA-N 257.381 3.604 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)NCCC1=CCCCC1 433112271 IHGUAYGIBBLMFY-GOSISDBHSA-N 296.414 3.766 30 20 CHED C[C@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)C(C)(C)C 434030828 JDOUIZBLLKRZEJ-OLZOCXBDSA-N 264.413 3.599 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1c(Cl)cccc1C#N 435591185 CJNOYSWNGOQGIZ-WFASDCNBSA-N 276.767 3.605 30 20 CHED COc1ccc(C#N)cc1CNc1ccc2ccoc2c1 442858239 OUVYERNRWXPDFP-UHFFFAOYSA-N 278.311 3.925 30 20 CHED N#Cc1cccc(CCNC2CCC(C(F)F)CC2)c1 442874894 RLYUAFWWKZWSAK-UHFFFAOYSA-N 278.346 3.514 30 20 CHED C=CCCCNC(=O)NCc1cc(Cl)sc1Cl 447998344 JHJWWVGRAHQGNX-UHFFFAOYSA-N 293.219 3.820 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccco2)CCCCC1 448586166 VKBQPPDWPAAFAY-UHFFFAOYSA-N 261.365 3.765 30 20 CHED C=CCOc1ccc(CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 448904595 RVWYDLRIIRKINR-HUUCEWRRSA-N 287.403 3.583 30 20 CHED CCSCC[C@@H](C)NC1CCC(C)(C#N)CC1 449173794 XYNLWDZGFVDSLW-IYXRBSQSSA-N 254.443 3.580 30 20 CHED CCSc1cc(CNC2CCC(C)(C#N)CC2)ccn1 449257804 KHDBSGAPIQRWCG-UHFFFAOYSA-N 289.448 3.756 30 20 CHED N#CCCCOc1cccc(CN2CCC(CF)CC2)c1 449451915 DWWIHQRPCJBYHC-UHFFFAOYSA-N 290.382 3.551 30 20 CHED C=C(CC)CNCc1ccccc1OCc1cccnc1 449730375 DPYKKKNHUJUQJY-UHFFFAOYSA-N 282.387 3.716 30 20 CHED CC[C@@H]1CN(C(=O)[C@]2(C#N)C[C@H]2C)CC[C@@H]1c1ccccc1 450017211 NGGPJZRMTKWNCQ-RRIFGTCXSA-N 296.414 3.578 30 20 CHED C[C@H](c1cc(F)ccc1F)N(C)CC1(C#N)CCC1 450272805 YRIATXLGLZAZDH-LLVKDONJSA-N 264.319 3.651 30 20 CHED C=CCN(Cc1ccc(OC)cc1)CC1CC(F)(F)C1 450280819 ZYGGTAXOQVDXSL-UHFFFAOYSA-N 281.346 3.729 30 20 CHED N#Cc1c(Cl)cccc1NCCSCC(F)(F)F 450415089 AQXZOSFRBNEESZ-UHFFFAOYSA-N 294.729 3.919 30 20 CHED N#CCCN(CCc1ccc(Cl)cc1)Cc1cccnc1 450490509 ZOYVFMVTWJJKAH-UHFFFAOYSA-N 299.805 3.693 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 451056465 AYMPZCDAUMGGIG-UONOGXRCSA-N 297.320 3.843 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 452185851 CJQJSKTYPLHYES-CQSZACIVSA-N 279.330 3.671 30 20 CHED CC(C)c1nnc(CNc2ccc(CC#N)cc2Cl)o1 453139102 WSWUVROIKGIZKP-UHFFFAOYSA-N 290.754 3.525 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(N2CCCC2)cc1C 454281208 UBNCFSVKMDQIMB-UHFFFAOYSA-N 287.407 3.683 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cnn(CCC)c1C1CC1 455838817 WFOVSMFDFNZYLS-UHFFFAOYSA-N 290.411 3.600 30 20 CHED C=C(C)CCNC(=O)c1c(Cl)cc(F)cc1Cl 456121632 MMUJGXUJSVTQHL-UHFFFAOYSA-N 276.138 3.829 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](c2ccncc2)C(C)C)c1 456974171 XMTOWZGWROCBID-QGZVFWFLSA-N 293.370 3.640 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 457283115 NLUCCAVUIGKFEL-ZIFCJYIRSA-N 298.430 3.700 30 20 CHED Cc1ccc(CNCC(C)(C)CC#N)cc1Br 459684211 BSMOGZUIXAQRCG-UHFFFAOYSA-N 295.224 3.787 30 20 CHED CCc1ccc(CCNc2cc(C#N)ccc2OC)cc1 462248423 XDYAIKLTENCRAE-UHFFFAOYSA-N 280.371 3.784 30 20 CHED C=CC1CCN(c2nnc(-c3cccc(F)c3)cc2C)CC1 462848806 WXPBVKOHDVUHEI-UHFFFAOYSA-N 297.377 3.994 30 20 CHED Cc1cc(C)cc(CCC(=O)N[C@](C)(C#N)C(C)(C)C)c1 464169765 PRLRZFDPEMYHEN-GOSISDBHSA-N 286.419 3.681 30 20 CHED CC#CCCCC(=O)N[C@H](c1cccs1)C1CC1 464541588 UYFMBDQVMZAUPV-HNNXBMFYSA-N 261.390 3.509 30 20 CHED Cc1cccc(C)c1OC[C@@H](N[C@H](C)C#N)C(C)(C)C 464793572 SLYRTRXLVNIABR-HUUCEWRRSA-N 274.408 3.599 30 20 CHED C=CC[C@H](CC)NC(=O)NC(C)(C)c1ccc(F)c(F)c1 466406439 WWUCQBZGTBYGMC-LBPRGKRZSA-N 296.361 3.854 30 20 CHED CC#CCCCC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 466660382 XLHCZXGRVVBTKO-QWHCGFSZSA-N 289.341 3.665 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCC[C@@H]1CCCC 467017019 ZKALQQITZJDWRT-UONOGXRCSA-N 252.402 3.563 30 20 CHED C=CCCN(C)C(=O)c1cccc(OCC=C(C)C)c1 467059685 VNHDZQMARAXHRW-UHFFFAOYSA-N 273.376 3.680 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(CCOC)CCCCC1 467906883 XAFFCKDXMVGHPY-INIZCTEOSA-N 281.440 3.692 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 469752345 MNQPCSPNGMTWNF-YUELXQCFSA-N 293.357 3.896 30 20 CHED C=CCOCCCN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 470778386 DNOHHOJRIGWZCS-RHSMWYFYSA-N 277.383 3.801 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccccc1SC 471316531 JBHQKILRRPYGOH-INIZCTEOSA-N 277.433 3.969 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 471674042 NZECTZYCGIEFKI-NEPJUHHUSA-N 297.320 3.680 30 20 CHED C=C(C)COCCNC(=O)[C@H](CC1CCCC1)C(C)C 475057403 XPDJDXSAQUUMTB-MRXNPFEDSA-N 281.440 3.548 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@@H](OCC)C1CCCC1 475993283 DDCMYZDJEFUPAB-MRXNPFEDSA-N 296.455 3.579 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 480575796 CYIIYRNGORINSQ-XJKSGUPXSA-N 281.334 3.841 30 20 CHED Cc1cccc(C)c1CCNC(=O)Nc1cccc(C#N)c1 481475227 LCNYMIWNGHGHIY-UHFFFAOYSA-N 293.370 3.539 30 20 CHED N#CCN(CCOc1ccc(Cl)c(F)c1)C1CCCC1 483967517 VKRPBDYKOJFTQH-UHFFFAOYSA-N 296.773 3.626 30 20 CHED N#CCn1c(/C=C\c2cccc(F)c2)nc2ccccc21 485985719 ZHIVWNNHLCRHLX-HJWRWDBZSA-N 277.302 3.869 30 20 CHED C=CC[C@H](C)NC(=O)CCOc1ccc2ccccc2c1 486400442 VNEUWHKBMIOPBE-AWEZNQCLSA-N 283.371 3.690 30 20 CHED Cc1cc(Oc2ncc(C#N)cc2Cl)ccc1F 486904931 UNLSVRPJDKJLJN-UHFFFAOYSA-N 262.671 3.847 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)Oc1ccccc1C 488876694 JFDTZEJZBXJQAU-CVEARBPZSA-N 287.403 3.720 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1sc(CC(C)C)nc1C 488882045 PSVDLPSZPOEOBR-ZDUSSCGKSA-N 292.448 3.831 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccccc1OC(C)C 490086529 GSLNRBVKRNCWEI-UHFFFAOYSA-N 289.419 3.735 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1coc2ccccc12 495223915 QJHAZROPPZQYTF-CQSZACIVSA-N 284.359 3.683 30 20 CHED C=CCOc1ccccc1C(=O)N(CCC)CC1CC1 498445167 PXQCLAUYOUKHJU-UHFFFAOYSA-N 273.376 3.514 30 20 CHED CC#CCCNCc1csc(-c2ccc(C)cc2)n1 499210200 FTTWGTXAULGJIH-UHFFFAOYSA-N 270.401 3.622 30 20 CHED CCN(CCc1cccs1)Cc1ccc(C#N)cc1 504003703 GCZMHUQTPRETLJ-UHFFFAOYSA-N 270.401 3.684 30 20 CHED C=C(C)CCSc1nnc(-c2ccc(F)cc2)n1C 505434642 ZCPGHHCBCPXFGM-UHFFFAOYSA-N 277.368 3.680 30 20 CHED C=CCCC[C@@H](C)N1CCC(n2cc(Cl)cn2)CC1 506034748 BDVZWJZMQLFXAX-CYBMUJFWSA-N 281.831 3.918 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@H]1C[C@H]1c1ccccc1 507206719 BZGXWLPXOXTOOG-MOPGFXCFSA-N 276.383 3.794 30 20 CHED C=CCOc1ccc(CN(CCC)C2CC2)cc1OC 507242793 HNYUBEQIQWSBQW-UHFFFAOYSA-N 275.392 3.634 30 20 CHED C=C(C)CCN1CCCN(CC2CCCCC2)CC1 509329381 ZDDZGTCFTFRUIL-UHFFFAOYSA-N 264.457 3.541 30 20 CHED N#Cc1ccc(SCCOc2ccc(F)cc2)cc1 509664864 PLDMREQQSKUDLF-UHFFFAOYSA-N 273.332 3.868 30 20 CHED COc1ccccc1-c1ccc(CN(C)C[C@H](C)C#N)cc1 509776720 YSPPKVSZYXDVNI-OAHLLOKOSA-N 294.398 3.954 30 20 CHED CCCCCOc1ccc(CN(CC#N)C2CC2)cc1 511955089 MISWNYYQQHGZKG-UHFFFAOYSA-N 272.392 3.744 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@@H](N(C)C)C1)c1ccco1 514805015 ITTRZIJDBMBAEC-OAGGEKHMSA-N 276.424 3.749 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]2C=C[C@H]1C2 516557770 DAPPUGCUVGJJAZ-FHWLQOOXSA-N 280.415 3.981 30 20 CHED C=C[C@@H](CC(=O)NCC(CC)(CC)OC)c1ccccc1 517769017 ZHMGTPMDANNGHT-HNNXBMFYSA-N 289.419 3.668 30 20 CHED C=CCN(CC=C)Cc1cc([N+](=O)[O-])ccc1OC(C)C 519160261 CTKWMXAHABPWNU-UHFFFAOYSA-N 290.363 3.556 30 20 CHED C=CCN(CC=C)C(=O)NCCCCC(C)(C)C 519209567 QSGVXJGZKDWRCG-UHFFFAOYSA-N 252.402 3.586 30 20 CHED C=C(C)CCNc1cccc(OC[C@H]2CCCO2)c1 519471812 XWJMQWCFRPMEKN-MRXNPFEDSA-N 261.365 3.623 30 20 CHED C=CCOc1ccccc1C(=O)NC1C[C@H](C)C[C@@H](C)C1 523513134 LHJYQNUGKJZYDJ-ZIAGYGMSSA-N 287.403 3.806 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(OC(F)F)cc1 526949792 FWQOOSIQTYAQJY-INIZCTEOSA-N 297.345 3.549 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2[C@@H](C)[C@H]2C2CC2)cc1 528274842 FSWRQFHSEFOMTQ-RRQGHBQHSA-N 282.387 3.534 30 20 CHED C=C(C)CSCc1nc(-c2ccc(OCC)cc2)no1 531111902 MXJYLNLFOABDEA-UHFFFAOYSA-N 290.388 3.945 30 20 CHED N#CCCSc1ccccc1NC[C@H]1CCCOC1 532708697 MYMNBYYZDGILRU-CYBMUJFWSA-N 276.405 3.531 30 20 CHED C=CCOc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)cc1 537568679 XGZDHZGBKJVFED-INIZCTEOSA-N 289.419 3.687 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(C)c(OC)c1 538290046 HQMASFXQHLQRHM-CQSZACIVSA-N 290.407 3.548 30 20 CHED CC(C)CN1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 539506807 DWCYLDAGECJZMA-LPHOPBHVSA-N 299.462 3.719 30 20 CHED CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 539610444 WPIPTJOODROVKC-XHBSWPGZSA-N 260.356 3.927 30 20 CHED CO[C@@H](C)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541089068 ICJNTCNYFUTCFK-GJZGRUSLSA-N 294.398 3.911 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2nc3ccccn3c2C#N)o1 541113069 ODIRLCIDCOPZLB-WCQYABFASA-N 292.342 3.534 30 20 CHED C[C@H](NC(=O)N1CC[C@@H](C(C)(C)C)C1)c1ccc(C#N)cc1 541345786 YGMVJHOGDLOBEM-XJKSGUPXSA-N 299.418 3.697 30 20 CHED Cc1oc2ccccc2c1CN1CCC(CC#N)CC1 541922855 SVQGLXQLCKMKLB-UHFFFAOYSA-N 268.360 3.867 30 20 CHED CC#CCCNC(=O)c1csc(-c2ccc(C)cc2C)n1 543607190 HEHMRPDDNWEQQB-UHFFFAOYSA-N 298.411 3.570 30 20 CHED C[C@H](C#N)CN[C@@H]1CCC[C@H]1c1ccccc1Cl 545948388 IZWKHLOXLXYAOT-OSAQELSMSA-N 262.784 3.725 30 20 CHED C=CCCCc1nc(Cc2csc(C(C)(C)C)n2)no1 547212811 IUVHPDWXBZIPJG-UHFFFAOYSA-N 291.420 3.923 30 20 CHED C=CCC(C)(C)CNCc1cnc(C(C)C)s1 549827969 HASAJFQWIHWUGS-UHFFFAOYSA-N 252.427 3.958 30 20 CHED C[C@H](CCNC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 551131648 YBABYJKKCHXLNZ-CYBMUJFWSA-N 296.345 3.621 30 20 CHED N#Cc1cc(NCCCCc2ccc(F)c(F)c2)ccn1 557661557 SJNSHDCCCCJTBD-UHFFFAOYSA-N 287.313 3.666 30 20 CHED N#Cc1cc[nH]c(=NCC2CC(c3ccccc3)C2)c1Cl 557685661 HFOUGSYJTBRZLA-UHFFFAOYSA-N 297.789 3.634 30 20 CHED C=CC(C)(C)CN[C@H](C)CC(=O)Nc1cccc(C)c1 562664935 AQDZPRSRUWMFDY-CQSZACIVSA-N 274.408 3.514 30 20 CHED N#CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 563828346 SPRGJGDQEABOOH-IXDOHACOSA-N 288.435 3.745 30 20 CHED CC1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 565398573 VUYVJGRXLYPJRB-HZPDHXFCSA-N 254.377 3.558 30 20 CHED Cc1nc(NCC2C[C@H](C)O[C@@H](C)C2)c(Cl)cc1C#N 571103851 VIUQZCCNJMMXGL-UWVGGRQHSA-N 293.798 3.531 30 20 CHED C=CCC[C@@H](NCc1ncc(C)s1)c1ccco1 571617617 DMWUUPWZARBPBB-GFCCVEGCSA-N 262.378 3.842 30 20 CHED Cc1cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)ccc1-c1ccncc1 574523798 KEXKWKPFBVZWFY-SCLBCKFNSA-N 291.354 3.545 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1ccccc1CC#N 574550876 ASNFVQLCSILXCM-CYBMUJFWSA-N 258.365 3.763 30 20 CHED N#Cc1ccc(CSCCCc2ccccc2)nc1 575001883 PYOYSRWZZBLNEM-UHFFFAOYSA-N 268.385 3.819 30 20 CHED C=CCC1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CCC1 576549418 GSOVQCYMLJXDAY-UHFFFAOYSA-N 291.332 3.704 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1csc(C2CC2)n1 578111127 XAVSHADJNWOZQM-UHFFFAOYSA-N 295.411 3.845 30 20 CHED C=CCCC[C@H](C)NC(=O)C1CCC(OC(F)F)CC1 583646679 CQTBANDAWDGNIQ-HIFPTAJRSA-N 289.366 3.645 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cc2ccc(F)cc2s1 585720754 PDUQQIRLXGTONP-OAHLLOKOSA-N 290.363 3.708 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CC)C1CCCCC1 586907556 FNCGBXGIOGVCDD-OAHLLOKOSA-N 266.429 3.953 30 20 CHED Cc1nsc(N2CCC3(CCCCC3)CC2)c1C#N 587788585 HOYDVKKGWLZJEC-UHFFFAOYSA-N 275.421 3.874 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)CCCCCC#N 588147763 LLWGDOXBIGZRQG-OAHLLOKOSA-N 272.392 3.598 30 20 CHED N#CCCCCCC(=O)Nc1ccc(C#N)cc1Cl 588948222 ZWWVOZDWTGRKTC-UHFFFAOYSA-N 275.739 3.624 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)[C@H](C)CC)cc1 589079648 PTKYXMZVEUFCJY-WWGRRREGSA-N 272.392 3.612 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)CCOC(C)(C)C)c2c1 589864580 BBQUXMJIYIZFHI-UHFFFAOYSA-N 297.402 3.666 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@@](C)(C#N)C1 591777984 ZSMLUPFBTVCMQA-APWZRJJASA-N 298.430 3.716 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N2CCC(CCC#N)CC2)C[C@H]1C 592010574 VYHHDHMJPRZEGI-FMKPAKJESA-N 291.439 3.536 30 20 CHED CC[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 593656247 DWKAWDGKGFHEBI-YOEHRIQHSA-N 290.366 3.715 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCc1c(Cl)cccc1Cl 594280887 PNZDXIJDPYCSDD-JTQLQIEISA-N 299.201 3.687 30 20 CHED CN(CCc1ccc(C#N)cc1)C1CCC(F)(F)CC1 595497991 PZAFDXNOIMOOIF-UHFFFAOYSA-N 278.346 3.610 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2cccc(C#N)c2)CCCC1 596437216 NFGMTHOXEZBHBW-CQSZACIVSA-N 297.402 3.807 30 20 CHED CCN(C(=O)CCc1ccc2ccccc2c1)[C@H](C)C#N 598356868 YWDAFVZVCKMULN-CQSZACIVSA-N 280.371 3.533 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@H](C3CCCCC3)C2)c1 598473149 VXIPDGRMJHEYQV-SFHVURJKSA-N 296.414 3.991 30 20 CHED CCCC[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)C(C)C 598651389 YGKSPJVUYUOKGW-HIFRSBDPSA-N 252.402 3.503 30 20 CHED N#CCCCCCC(=O)N(c1ccc(C#N)cc1)C1CCC1 598881787 INAMXMHTDDWLGV-UHFFFAOYSA-N 295.386 3.918 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](C#N)C(C)(C)C 599637758 UYHXRAYIOYTBJS-INIZCTEOSA-N 296.370 3.923 30 20 CHED N#C[C@@H](Sc1cccc(Br)c1)C1CC1 601076895 STNZEHJTDFDUCV-LLVKDONJSA-N 268.179 3.843 30 20 CHED N#Cc1cccc(-n2nc(C(F)(F)F)cc2C2CC2)c1 601930528 HSDZJWHAJHTYSG-UHFFFAOYSA-N 277.249 3.640 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H](CN2CCCCCC2)C1 602459960 PHVDYVLBWKTULX-QZTJIDSGSA-N 291.483 3.514 30 20 CHED Cc1ccc([C@H](C)N(C)c2ccc(C#N)cn2)c(C)c1 604122870 CKCLVHGYJUWCGI-AWEZNQCLSA-N 265.360 3.768 30 20 CHED C=CC[C@H](C(=O)Oc1ccccc1)c1ccccc1 606523115 AYPKETNUALHMLM-INIZCTEOSA-N 252.313 3.952 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)NC[C@@H](C)C#N 609589982 YVUCSQQWLHUWIT-DZGCQCFKSA-N 264.413 3.649 30 20 CHED C[C@H](NCc1cnc(C2CC2)s1)c1cccc(C#N)c1 610771513 BQUOTOQPGWCJJU-NSHDSACASA-N 283.400 3.743 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@](C)(C#N)C1 612364878 QIIAYNLYHREZSW-PKOBYXMFSA-N 298.430 3.654 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCCC2(F)F)C1 617779108 VNLQASQEXHYDNR-STQMWFEESA-N 271.351 3.627 30 20 CHED Cc1ccc(C)c2sc(NC(=O)CC(C)(C)C#N)nc12 618632143 HCPSUSCEMUIXCV-UHFFFAOYSA-N 287.388 3.792 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 618807431 YTZZUYFIYCJDPR-BFUOFWGJSA-N 287.366 3.768 30 20 CHED Cc1ncc([C@H](C)NCC#Cc2ccc(Cl)cc2)s1 639995732 PPVGXKSREIXKHY-NSHDSACASA-N 290.819 3.807 30 20 CHED N#C[C@H](C(=O)c1ccsc1)c1nc(C2CC2)cs1 647374153 XEFRMOQDRGXUBD-SNVBAGLBSA-N 274.370 3.572 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cnccc2C)CCCC1 649295315 YOQSFLRQUQOUDD-AWEZNQCLSA-N 272.392 3.704 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-n2cccn2)cc1C 682801325 ANIIEJLIRZMVHH-QGZVFWFLSA-N 283.375 3.722 30 20 CHED C=CCN(C(=O)[C@@H]1Cc2ccc(F)cc21)c1ccccc1 684627178 GSYWUMYKMWUUHT-QGZVFWFLSA-N 281.330 3.685 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)Cc1cccs1 684774158 RTAJYZVDHNKZTK-DZKIICNBSA-N 279.449 3.640 30 20 CHED C#Cc1cccc(NC(=S)N2CCCC[C@@H]2CC)c1 726434436 PMSJXZTYOQDEHH-HNNXBMFYSA-N 272.417 3.629 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)COc2ccc(F)cc21 731565643 WWLJSGYEJUUFDG-YHYXMXQVSA-N 290.240 3.763 30 20 CHED C#CCOc1ccc(C(C)=NNc2ccc(C)cc2)cc1 733201614 WKRKHJFNBPNFAV-UHFFFAOYSA-N 278.355 3.843 30 20 CHED C#CCOc1ccccc1CNCc1ccc(CCC)cc1 734159668 UZMKSZUFUIEQHB-UHFFFAOYSA-N 293.410 3.941 30 20 CHED C=CCCCOC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 735530181 GBMQXZWTECKCDO-UHFFFAOYSA-N 276.380 3.639 30 20 CHED N#Cc1cccc(COC(=O)/C=C\C2CCCCC2)c1 735560505 ACTYHBDUYRINTG-KTKRTIGZSA-N 269.344 3.738 30 20 CHED C=CCCCCCN(C)C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 739455992 DOBCEQLEHJPFDM-SOUVJXGZSA-N 280.481 3.728 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)n1)C1CC1 741165529 NLJFLAFKHRAVHO-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C#CCCCNc1ccnc2cc(Br)ccc12 742423064 UWHSJCPCJCCVQY-UHFFFAOYSA-N 289.176 3.823 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cccc(COC)c2)c1C 742432826 IDOLVVLEJAHFNJ-MDZDMXLPSA-N 298.386 3.562 30 20 CHED COCc1cccc(/C=C2/Oc3ccc(F)cc3C2=O)c1 742435231 UORJFMUZEPZCGH-LZYBPNLTSA-N 284.286 3.588 30 20 CHED CCCCC[C@@H](C)CC(=O)N(CCC#N)C(C)C 742607611 XHLLMKPNYMRVBI-CQSZACIVSA-N 252.402 3.744 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(F)cc2F)cc1 742864002 FCXGFUMYABGVFM-UHFFFAOYSA-N 290.265 3.749 30 20 CHED Cc1ccc(SCC/N=C\c2ccccc2O)cc1 743330846 WJVILBQPLHUJFX-ATVHPVEESA-N 271.385 3.912 30 20 CHED C=C(C)CCOC(=O)c1ccc(OCC(F)(F)F)cc1 744304656 VYTULCNZQPWLCW-UHFFFAOYSA-N 288.265 3.751 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)[C@@H](C)c1ccccc1 746366836 RNVAFGRKMIXMSA-GFCCVEGCSA-N 282.343 3.976 30 20 CHED Cc1ncccc1C=NNc1ccc(C(F)(F)F)cc1 746578828 QYKWXPXZWOIZEA-UHFFFAOYSA-N 279.265 3.855 30 20 CHED CC[C@@H](NC(=O)C#Cc1ccccc1)c1cc(F)ccc1F 747402252 QKVNMRVOFVZQNF-QGZVFWFLSA-N 299.320 3.584 30 20 CHED CC(C)CON=Cc1cnc(-c2cccs2)s1 749631594 MCFDPGKQPDFSLP-UHFFFAOYSA-N 266.391 3.878 30 20 CHED Cc1cc(Cl)ccc1OC(=O)Cc1ccc(C#N)cc1 749786766 XFOQRNTVHQOMLV-UHFFFAOYSA-N 285.730 3.668 30 20 CHED C=C(C)Cn1nc(C)nc1-c1ccc2ccccc2c1 750003289 RQCQIKWIKWTVRW-UHFFFAOYSA-N 263.344 3.983 30 20 CHED C=CC[C@H](NC(=O)c1ccccc1SC)c1ccncc1 750191908 MPRTYVSKQCSYEP-HNNXBMFYSA-N 298.411 3.851 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)c1nc(C)no1 750735023 AHLYXBFEPVLKMA-LBPRGKRZSA-N 281.400 3.696 30 20 CHED C[C@@H](C#N)OC(=O)Cc1csc2ccc(Cl)cc12 751846017 HGSQSOZJGQDJLM-QMMMGPOBSA-N 279.748 3.552 30 20 CHED CCc1ccc(C(C)=NNc2cccc([N+](=O)[O-])c2C)o1 752164539 JIMGXLZAZZPYNC-UHFFFAOYSA-N 287.319 3.895 30 20 CHED CC(C)(CCC(=O)OCC1(CC#N)CC1)c1ccccc1 754535462 NVDWKFCTILOMDF-UHFFFAOYSA-N 285.387 3.981 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccccc1C#N 755585344 SBQOVSBCOJTTPR-CSKARUKUSA-N 277.323 3.771 30 20 CHED Cc1csc(C=NNc2ccc(Cl)c(F)c2)n1 755752391 FIHMWPUBEBBYLW-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C[C@@H](CC=NN=c1cc[nH]cc1Cl)c1ccccc1 755765687 ITUJZCFMWCBCON-LBPRGKRZSA-N 273.767 3.748 30 20 CHED Cc1ccnc(NN=C[C@H]2C[C@@H]2c2ccccc2)c1 755771769 YUPKXHBLDXTOAK-HUUCEWRRSA-N 251.333 3.591 30 20 CHED C#CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 756953792 RQPBFDIARMVWOT-INIZCTEOSA-N 291.310 3.643 30 20 CHED C#CCCCC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 757896919 AMWAISDQDAIEMO-SNVBAGLBSA-N 284.186 3.974 30 20 CHED C=C(CC)CNc1ccccc1[C@H](O)C(F)(F)F 758125421 XUNTVDIXJJJBJQ-LBPRGKRZSA-N 259.271 3.660 30 20 CHED C[C@H](/N=C\c1cc(Br)ccc1O)c1ccc[nH]1 760228721 IGJRQWYAXWNUOR-HUUTXYLISA-N 293.164 3.663 30 20 CHED C[C@H](/N=C/c1cc(Br)ccc1O)c1ccc[nH]1 760228729 IGJRQWYAXWNUOR-VKPPLCHCSA-N 293.164 3.663 30 20 CHED COc1cc(F)ccc1NN=C(C)c1cc(C)ccc1O 761884550 JJUQVRGCLJJDKE-UHFFFAOYSA-N 288.322 3.684 30 20 CHED O=C(O)c1csc(/C=C2\CCc3ccccc3C2=O)c1 765824030 IPOZODVZUYRUMK-YRNVUSSQSA-N 284.336 3.659 30 20 CHED Cc1cc(CNc2cc3c(cc2C)OCO3)ccc1C#N 767684220 NELOQILAAGPFHG-UHFFFAOYSA-N 280.327 3.516 30 20 CHED CC(=NNCc1ccc(C(F)(F)F)cc1)c1cscn1 767900823 YTUWACHEBIOPEP-UHFFFAOYSA-N 299.321 3.676 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](C)Oc1cccc2ccccc12 768002003 OUQJFLMBHTYKSX-HOCLYGCPSA-N 295.382 3.525 30 20 CHED C[C@@H](C(=O)OCCCCC(C)(C)C#N)c1ccco1 768723584 YDMJHSPTSGYFCG-GFCCVEGCSA-N 263.337 3.646 30 20 CHED c1ccc([C@@H]2CCC2=NNc2cnc3ccccc3n2)cc1 769782640 TZBMGBGDORWKBU-AWEZNQCLSA-N 288.354 3.975 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cccc(-n2cccn2)c1 769783994 LSPVELYILBDTNE-SREVYHEPSA-N 278.311 3.670 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(OCCC(C)C)cc1 770546447 SRZZZGUAKIUFMP-CQSZACIVSA-N 288.391 3.597 30 20 CHED C=C(CC)COC(=O)/C=C/c1ccc2ccccc2n1 773453450 SOASIRWLFAWGNT-ZHACJKMWSA-N 267.328 3.757 30 20 CHED Brc1csc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)c1 774598440 YLAZURITGAYNJD-HOTUBEGUSA-N 299.237 3.623 30 20 CHED C=CCCCN1CCC(c2ccc(N(C)C)cc2)CC1 775883804 YFXVKCWARUVOTC-UHFFFAOYSA-N 272.436 3.898 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(C(C)(C)C)cc1 776006021 GCRKVFZLZPDKGQ-CYBMUJFWSA-N 256.393 3.938 30 20 CHED CC[C@@H](C)Oc1cc(C/N=C\c2ccccc2O)ccn1 776725405 LYJSVBNWTABTMW-FDIDITGRSA-N 284.359 3.584 30 20 CHED CC(Cc1ccncc1)=NN[C@H](Cc1ccccc1)C(C)C 777449163 SXFPWHOGCZDZDF-LJQANCHMSA-N 295.430 3.857 30 20 CHED CCCCCCCCNC(=O)NCc1ccncc1C 777609407 ARIFOZCYWRFWHD-UHFFFAOYSA-N 277.412 3.550 30 20 CHED CCOc1ccc(/C=N\[C@H]2CC(C)(C)OC2(C)C)c(O)c1 777873859 VIIILYORQFXRQS-GZQZNAIASA-N 291.391 3.556 30 20 CHED C#CCCCCCC(=O)N1CCCc2c(F)cccc21 779972352 JUPWLHORHFVQQN-UHFFFAOYSA-N 273.351 3.689 30 20 CHED COCCC1(C=NO[C@@H]2CCCCO2)CCCCC1 780238180 VDKDACKVISLZGM-CQSZACIVSA-N 269.385 3.502 30 20 CHED CCC1(C=NNc2ccc(F)cc2C)CCOCC1 781128765 UVWDUGYDVFNDGK-UHFFFAOYSA-N 264.344 3.739 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccnc(Cl)c2)ccc1F 782194470 PFKWZDBJYGOAAQ-RQOWECAXSA-N 286.693 3.642 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)[C@]1(C)CCCO1 782221984 PYVBBMXCOIGBIJ-ZDUSSCGKSA-N 297.742 3.605 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)/C=C\C1CCCCC1 785560145 VJLGCRRYXQTMNO-RLGIIYIFSA-N 294.398 3.798 30 20 CHED C=CCCN(C)CC(=O)Nc1ccc([C@H](C)CC)cc1 786437453 PVLGVMURKJYTRH-CQSZACIVSA-N 274.408 3.647 30 20 CHED Cc1ccc(F)cc1OCc1ccc(OCC#N)cc1 786760977 MONICVHFJGGZGQ-UHFFFAOYSA-N 271.291 3.616 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1cncs1 787172763 PCYLUBVMNCPUFI-RQOWECAXSA-N 294.719 3.601 30 20 CHED CCC(=NOC[C@H]1CCOC1)c1ccc(Cl)cc1 788034251 PNUYISMLQNGANL-NSHDSACASA-N 267.756 3.507 30 20 CHED N#CCC1(OC(=O)c2cc3ccccc3s2)CCC1 788133385 KBLZQJGEPKOOHZ-UHFFFAOYSA-N 271.341 3.894 30 20 CHED Cn1c(NN=Cc2cc3ccccc3[nH]2)nc2ccccc21 788426798 ZCLHVXIBEQKSAE-UHFFFAOYSA-N 289.342 3.501 30 20 CHED C(=NN[C@@H]1CCOC1)c1c2ccccc2cc2ccccc12 788458130 ZQADIIYTBXYYQF-MRXNPFEDSA-N 290.366 3.705 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(C)c1 789077213 RALHJLXNSNCBHH-UHFFFAOYSA-N 291.354 3.673 30 20 CHED CC(C)CN(CCC#N)CC[C@@H](C)OCc1ccccc1 789325876 JJLUTAVOBTWNJE-QGZVFWFLSA-N 288.435 3.853 30 20 CHED CCc1c(C(C)=NNc2nccn2C)oc2ccccc12 790306312 XECNVHZUNKEFQR-UHFFFAOYSA-N 282.347 3.565 30 20 CHED C#CCN(C)C(=O)C1(c2cccc(Cl)c2)CCCCC1 790968211 TULHCXLTJZOMBJ-UHFFFAOYSA-N 289.806 3.634 30 20 CHED C#CCCCNCc1ccc(-c2cccc(F)c2F)o1 790972814 JNPIEEUOSCDVFF-UHFFFAOYSA-N 275.298 3.728 30 20 CHED Cc1ccccc1[C@@H](C)N(CCO[C@H](C)C#N)CC(C)C 792923189 BJWKQTUVNOTMIG-IAGOWNOFSA-N 288.435 3.943 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(OC)ccc1O 793222913 ABJGAQOUBPJNEF-UHFFFAOYSA-N 297.398 3.979 30 20 CHED C=CCCCCC[C@H](C)NC1CCN(CC)CC1 793517435 NPLMTWTXNZRITR-HNNXBMFYSA-N 252.446 3.585 30 20 CHED COc1cc(/C=C2\CCc3ccc(O)cc3C2=O)ccc1C 794960653 VQMWENMDFXXQBH-OQLLNIDSSA-N 294.350 3.922 30 20 CHED COCCN(C)N=C(C)c1ccccc1SC(C)(C)C 794963863 NFTRZOONFPJPAQ-UHFFFAOYSA-N 294.464 3.879 30 20 CHED COCCCON=C1CCCOc2c(Cl)cc(C)cc21 795043385 CHDZDUPRRIQXMG-UHFFFAOYSA-N 297.782 3.578 30 20 CHED C#CCOc1ccc(NC(=O)c2ccoc2C(C)C)cc1 795084984 FYYHDHUSUBUAFC-UHFFFAOYSA-N 283.327 3.667 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N(C)CCC 795217578 UINXADVEJMZZHZ-UHFFFAOYSA-N 260.381 3.527 30 20 CHED CC1=C(C)CN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 796018473 PDYDGHRBDPHIKQ-HNNXBMFYSA-N 270.376 3.520 30 20 CHED C=CC[C@@H](C(=O)OC[C@H](F)C(F)(F)F)c1ccccc1 800204627 QRHLOZNATDYDRX-NEPJUHHUSA-N 290.256 3.790 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1cn(C)c(C)n1 800805070 IRKMMKMIVQNZRY-UHFFFAOYSA-N 296.296 3.583 30 20 CHED C[C@@H](C=NNc1nnc(-c2ccccc2)n1C)C(C)(C)C 800809798 AXWKGBKMKZSBJD-LBPRGKRZSA-N 285.395 3.562 30 20 CHED N#Cc1ccc(CNN=C2CCC[C@@H]2CCCF)cc1 800814406 NTCBDEYESYVPMQ-OAHLLOKOSA-N 273.355 3.554 30 20 CHED N#Cc1ccc(CNC(=O)C=C2CCCCC2)cc1Cl 801072268 LSIOFUJPYJEALJ-UHFFFAOYSA-N 288.778 3.718 30 20 CHED CCc1ccc([C@H]2CCCCCN2CCO[C@H](C)C#N)o1 801922909 SNTQSYSQSJAQEN-GDBMZVCRSA-N 290.407 3.688 30 20 CHED Cc1ccccc1CCCSCCO[C@@H](C)C#N 802750570 AZDIQPVXUJPBAV-AWEZNQCLSA-N 263.406 3.590 30 20 CHED O=C1CCC(CON=C(c2ccccc2)C(F)(F)F)CC1 803428528 JNQRQSSRTLVPEL-UHFFFAOYSA-N 299.292 3.729 30 20 CHED CCOc1cccc(/C=N/CCCC(C)(C)COC)c1O 806550910 OJKARMIFHNQIRE-LDADJPATSA-N 293.407 3.663 30 20 CHED C[C@H](CCOCc1ccccc1)/N=C/c1ccccc1O 806552317 RGPRKINFBQRAAB-DQPIFXJKSA-N 283.371 3.807 30 20 CHED C#C[C@@H](NC(=O)c1sc2cc(F)ccc2c1C)C(C)C 807466816 GFVGZHDVIFIARG-CYBMUJFWSA-N 289.375 3.736 30 20 CHED C#C[C@H](NC(=O)c1sc(C(C)(C)C)nc1C)C(C)(C)C 807882162 WPHWCTGWRWNZTJ-NSHDSACASA-N 292.448 3.527 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(F)cc1F 807989624 MBIFBIWXGMVJTO-UHFFFAOYSA-N 291.257 3.627 30 20 CHED Cc1cccc(C=NNc2nccnc2C2CCC2)c1C 807991445 MWMQPWOXFVZWTO-UHFFFAOYSA-N 280.375 3.807 30 20 CHED CNc1ccc(Cl)c(C(=O)OCCCC(C)(C)C#N)c1 808611144 MTLSFJYLMIYZMW-UHFFFAOYSA-N 294.782 3.868 30 20 CHED C#CCC(C)(C)c1nc(Cc2cc(C)ccc2C)no1 809290297 NWRRUWKZORXDSZ-UHFFFAOYSA-N 268.360 3.578 30 20 CHED Brc1ccc2c(c1)C(=NOC1CCC1)CCO2 812236241 ZGIBBHSCLXXHQO-UHFFFAOYSA-N 296.164 3.505 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(-c3cc[nH]n3)cc2)no1 813889020 UWYPMDDVRBXXDO-UHFFFAOYSA-N 294.358 3.980 30 20 CHED CC(C)(C)c1cnc(C=NNc2nc3ccccc3[nH]2)s1 814708079 CJWQDTKBGZKNPA-UHFFFAOYSA-N 299.403 3.763 30 20 CHED C[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)Cc2ccccc21 822219771 QIDGIWCAKPXFCM-KUHUBIRLSA-N 294.398 3.606 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2nc(Cl)sc2c1 823847978 ZNFAGHMQCFXQRA-ZDUSSCGKSA-N 293.779 3.828 30 20 CHED C#C[C@@H](NC(=O)Nc1cc(C)ccc1C(F)(F)F)C(C)C 825435662 GLZQOZOLBBUSFX-GFCCVEGCSA-N 298.308 3.793 30 20 CHED CC#CC(=O)N1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 827910915 GCMWRQVBIOUOLN-OAHLLOKOSA-N 295.304 3.566 30 20 CHED C=CCCCCN1CCC[C@H]1C[C@@H](O)c1ccco1 828041026 OHDXRRDCUVPRKD-LSDHHAIUSA-N 263.381 3.524 30 20 CHED O=C(C#Cc1cccs1)N1CCCC[C@H]1c1ccccc1 829335924 JYJDEMSGRQIMNI-KRWDZBQOSA-N 295.407 3.853 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)[C@@H]1CCC[C@@H](C)C1 832690456 HRRXOXDUIMVHPN-HLLBOEOZSA-N 286.419 3.893 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1cnn(C)c1Cl)C2=O 834434730 RPNMXRQPZDLJER-SRMXYGTFSA-N 286.762 3.765 30 20 CHED COCc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 834547875 LLKDIOUZARFPLD-UHFFFAOYSA-N 286.375 3.636 30 20 CHED CCCCCC[C@@H](C)NN=C(C)[C@@H]1C[C@H]2CC[C@H]1O2 834960283 LERPGVWIMAPSFT-DMRZNYOFSA-N 266.429 3.878 30 20 CHED CC(C)(C)[C@@H]1CCCC(=NNc2ccncn2)CC1 835001968 RTQHFSKWCLMPGS-GFCCVEGCSA-N 260.385 3.871 30 20 CHED C=CCCC[C@H](C)OC(=O)[C@H]1CC12CCSCC2 835271125 ZAJKXSMVSISGGF-QWHCGFSZSA-N 268.422 3.808 30 20 CHED C=C[C@H](CC)OC(=O)c1cn(CC(C)C)nc1C(F)F 835274555 UHDCXRKPKGQWDN-SNVBAGLBSA-N 286.322 3.598 30 20 CHED C#CCCCCCOC(=O)c1ncccc1SCC 835278328 MZUKIPWIDUARCT-UHFFFAOYSA-N 277.389 3.544 30 20 CHED CCC(CC)[C@@H](NC(=O)C#CC1CC1)c1ccccc1 837438695 BWFVQZFKSMEXBZ-GOSISDBHSA-N 269.388 3.694 30 20 CHED Cc1cccc(Cl)c1C(=O)OCCC(C)(C)C#N 837766233 RERFXCPKGNDFKG-UHFFFAOYSA-N 265.740 3.745 30 20 CHED C=CCOCCCC(=O)O[C@@H](CC)c1ccnc(Cl)c1 838918989 YULJVCCIEQLDNO-ZDUSSCGKSA-N 297.782 3.712 30 20 CHED CCc1ncc(C(=O)OCCC2(C#N)CCCCC2)s1 840223796 ABYKLNRZHBCCHR-UHFFFAOYSA-N 292.404 3.726 30 20 CHED CC(=NOCC1CC1)c1csc(-c2ccccc2)n1 841639930 FOYWXCCFTWZMFO-UHFFFAOYSA-N 272.373 3.961 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(C)cc(C(F)(F)F)c1 844644458 KRLFZOBLLKEOHI-SECBINFHSA-N 288.269 3.641 30 20 CHED C=C[C@@H](C)ONC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 846542744 HTOPJJWPYIHWPI-OLZOCXBDSA-N 299.370 3.574 30 20 CHED Cn1ncc(C2CC2)c1/C=C\C(=O)c1cccc(Cl)c1 849241923 QOBQJVMFEBXHOL-FPLPWBNLSA-N 286.762 3.847 30 20 CHED Cc1cc(C)cc(NC(=S)N2CCC[C@@H](CC#N)C2)c1 849272583 NQFILKKZJQRHQB-AWEZNQCLSA-N 287.432 3.626 30 20 CHED C[C@H](C#N)COC(=O)c1cccc(SC(F)(F)F)c1 850901959 XYFUFHGPQQVNGB-MRVPVSSYSA-N 289.278 3.615 30 20 CHED CC#CCCCC(=O)OC[C@@H]1C[C@H]1c1ccc(OC)cc1 851268348 WEHUPWZYIUHUGL-RDJZCZTQSA-N 286.371 3.536 30 20 CHED C=C[C@@H](OC(=O)CC1CCSCC1)c1ccccc1 851451734 LPWSHYYGJYKGQH-OAHLLOKOSA-N 276.401 3.990 30 20 CHED C=C[C@@H](OC(=O)CCc1csc(C)n1)c1ccccc1 851452530 JUNDCVGYHZQKQQ-OAHLLOKOSA-N 287.384 3.855 30 20 CHED CCC[C@@H](OCC)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 860452522 ZLYDEGAKDRJGLL-WMLDXEAASA-N 296.370 3.616 30 20 CHED C#C[C@H](C)OC(=O)[C@@H](CC)c1ccc(Br)cc1 860562016 XDETXDCRFQIYNF-GWCFXTLKSA-N 295.176 3.508 30 20 CHED CCCCCC(C)=NNCC(F)(F)C(F)(F)F 863179179 DUTRLUCIKHZIQK-UHFFFAOYSA-N 260.250 3.730 30 20 CHED CC[C@H](Sc1ccc(C#N)cc1Cl)C(C)=O 871657559 DXYPDRMCNMFAAM-NSHDSACASA-N 253.754 3.671 30 20 CHED CCCCN(C(=O)CCCCCC#N)c1ccncc1 876291696 DNCFMFLLEPVTLV-UHFFFAOYSA-N 273.380 3.689 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1c(F)cccc1F 878145464 OBRZQAQUXNIHNU-SNVBAGLBSA-N 267.319 3.744 30 20 CHED C=C1CC(c2noc([C@@H]3[C@H]4Cc5ccccc5[C@H]43)n2)C1 896873847 HBAQGAFROURIPW-RRFJBIMHSA-N 264.328 3.557 30 20 CHED CCc1ccc(C(=O)/C=C\c2cn(C)nc2C2CC2)s1 899343908 HFPJEBZPWYXSGC-VURMDHGXSA-N 286.400 3.818 30 20 CHED CS[C@H]1CCCC(=NNc2ncccc2Cl)C1 901171046 XSKWGRKORXWIPP-JTQLQIEISA-N 269.801 3.809 30 20 CHED CC[C@@H](CC(=O)N(O)Cc1ccc(F)cc1)C(C)C 901374164 FOZPLUSPPZUNFC-ZDUSSCGKSA-N 267.344 3.616 30 20 CHED CC(C)(C)c1nc(CNc2cc(F)cc(C#N)c2)co1 901430854 CVEHGGYZBILSEY-UHFFFAOYSA-N 273.311 3.595 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C(=O)O)c1cc(C)cc(C)c1 901532058 OJZAKQYCEPIYNR-LZWOXQAQSA-N 275.392 3.619 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nc(-c3cccs3)no2)c1 904279792 XCJFKRMVKIBUBO-QWHCGFSZSA-N 293.351 3.941 30 20 CHED Cc1oc(-c2cccs2)nc1C=NO[C@H]1CCCCO1 905456072 FPGYBZGPDXOXGS-ZDUSSCGKSA-N 292.360 3.589 30 20 CHED C#CCC1(C(=O)N[C@H](CC)c2ccccn2)CCCCC1 911141802 JBSHJUALJAAFCE-OAHLLOKOSA-N 284.403 3.623 30 20 CHED Clc1c(C=NNc2ncccn2)sc2ccccc12 912973889 AJHFAUHHTMAVSM-UHFFFAOYSA-N 288.763 3.791 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCOc1ccc(F)cc1 914600455 VRLMUTFISIZYIX-ZDLGFXPLSA-N 293.725 3.683 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cccc(C#N)c1 915939662 QIWUJYVCCGQWHI-UHFFFAOYSA-N 286.338 3.943 30 20 CHED CO[C@H]1CCCCC1=NNc1nccc2sccc12 915980612 WIDLMATWYQMFCP-LBPRGKRZSA-N 275.377 3.653 30 20 CHED Cc1nc(C#N)c(NN=Cc2csc3ccccc23)o1 917554211 HCLOPBQJIHOSNT-UHFFFAOYSA-N 282.328 3.515 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(F)ccc2C)c1 920942889 SPLJIZAFRYSFDM-UHFFFAOYSA-N 273.307 3.989 30 20 CHED O=C1CC2(CCCCC2)CC(=O)C1=CNc1cccc(O)c1 920974771 SMPOPVQPDXUZAH-UHFFFAOYSA-N 299.370 3.571 30 20 CHED O=C1/C(=C\c2cccc(F)c2)Cc2c(F)cccc21 921263443 DLKDIXBLOIXWEP-XFFZJAGNSA-N 256.251 3.787 30 20 CHED C#CC[C@H](NCc1cccc(OC)c1C)c1ccccc1 930219858 MMVGIHHESFXKJW-SFHVURJKSA-N 279.383 3.858 30 20 CHED COCCCCCN1CCC(c2ccc(C#N)cc2)CC1 933612778 LHHAEJGXFCCNNU-UHFFFAOYSA-N 286.419 3.554 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cn(C)nc1-c1ccccc1 935230824 CTQJTZWXSJYFAU-CYBMUJFWSA-N 283.375 3.628 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ncc(-c2ccccn2)s1 935919209 ZFESJZBXNZHNNR-LLVKDONJSA-N 287.388 3.746 30 20 CHED O=C(CC#Cc1ccccc1)N1CCCc2c(F)cccc21 1116270355 PMNQKZJMPBMZGD-UHFFFAOYSA-N 293.341 3.547 30 20 CHED C=CC[C@@H](N[C@@H]1CCc2c(OC)cccc21)c1ccncc1 1116296639 UHALEUHOBSYRQM-QZTJIDSGSA-N 294.398 3.985 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1Cc2ccc(C)cc2S1 1116821462 MDKWFLSTTBZHNM-GOEBONIOSA-N 287.428 3.579 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1nc2cccc(C)c2o1 1117756982 OBLRHJYTEHDHOT-JSGCOSHPSA-N 272.348 3.529 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@H]1[C@@H](C)CCC 1121699528 YXYPJWLIUKQWEV-RYUDHWBXSA-N 298.381 3.807 30 20 CHED COc1cc(OCc2ccc3c(c2)CCC3)ccc1C#N 1166086545 UVSFTIBNCHZANY-UHFFFAOYSA-N 279.339 3.635 30 20 CHED CC1(CN2CCC(c3ccc(C#N)cc3)CC2)CC1 1184045015 HPBHKHQYPOFNDQ-UHFFFAOYSA-N 254.377 3.538 30 20 CHED CCc1nc(C#N)cc(N(C)[C@@H](C)c2ccc(C)cc2C)n1 1184990532 AWGOUSFEOPKOBJ-AWEZNQCLSA-N 294.402 3.725 30 20 CHED Cc1nsc(N2CC[C@H](CC(C)(C)C)C2)c1C#N 1186721496 ZHOGPOMBKRADAN-LLVKDONJSA-N 263.410 3.586 30 20 CHED COc1ccc(-c2nnc(CC3(C#N)CCCCC3)o2)cc1 1251996588 ZTXODSOPDCXATP-UHFFFAOYSA-N 297.358 3.762 30 20 CHED C[C@@H](CNc1cccc(CC#N)n1)Sc1ccccc1 1255095215 FCECIDLEIDXNCP-ZDUSSCGKSA-N 283.400 3.740 30 20 CHED C#CCCCCC(=O)N(c1cccc(C#N)c1)C1CCC1 1262101078 MPQSPDRWSBXMMA-UHFFFAOYSA-N 280.371 3.637 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(CC)[C@H](C#N)CC 1289299013 RZWRYGOHSDXHHJ-KBPBESRZSA-N 252.402 3.599 30 20 CHED Cc1ccccc1N(Cc1cc(C#N)ccn1)C(C)C 1307570086 YXDNOHUWFFAVHT-UHFFFAOYSA-N 265.360 3.677 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@H]2Cc2ccccc2)C1 1308830270 SKYOFBBHPVOBPW-WNRNVDISSA-N 268.404 3.680 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)c(OC)c1)C2 1319574553 ZSYKMOVIFQJCPL-QPEQYQDCSA-N 298.313 3.665 30 20 CHED Cc1nc(-c2ccccc2)n(CCCCC(C)(C)C#N)n1 1321176412 IQNODKJRUWCPFZ-UHFFFAOYSA-N 282.391 3.974 30 20 CHED C=C[C@@H](C)NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1322695384 QXCIZRHDWNXPOJ-SECBINFHSA-N 286.202 3.962 30 20 CHED C#CCCCC(=O)NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1326334841 GAFOYKURXBYEHP-OWCLPIDISA-N 263.425 3.615 30 20 CHED C=C(C)C(C)(C)c1nnc([C@H](C)CN2CCC(C)CC2)o1 1327845716 GOJQGRFUSFWBIX-CQSZACIVSA-N 291.439 3.759 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(Cl)c2occc12 1332901592 GONBUIMTVBFBBG-SNVBAGLBSA-N 290.750 3.708 30 20 CHED C=C/C=C\CCOC(=O)C[C@@H](CC#N)c1ccccc1 1333945086 WDCNAEYJBYHVKO-MJSXRHKHSA-N 269.344 3.749 30 20 CHED CSc1ccc(CCC(=O)O[C@H](C)C(C)(C)C#N)cc1 1345131497 BWBKIAKZWAZPOV-GFCCVEGCSA-N 291.416 3.823 30 20 CHED CC[C@H](C)Cc1noc(C2(c3cccc(C#N)c3)CC2)n1 1348573957 MQDASYIJKMBDMP-LBPRGKRZSA-N 281.359 3.610 30 20 CHED Cc1cc([C@@H](C)N[C@H](C#N)c2ccccc2)c(C)o1 1350372010 WXKFJCJCHNPQQS-MLGOLLRUSA-N 254.333 3.812 30 20 CHED CN(C(=O)C[C@@H]1C=CCC1)c1ccc(C#N)c(Cl)c1 1352815849 JVVBPVWARVWGAL-LLVKDONJSA-N 274.751 3.531 30 20 CHED N#Cc1ccccc1N(C(=O)C[C@@H]1CC[C@H]2C[C@@H]12)C1CCC1 1353519086 WBOKPFOVNONCBD-GRDNDAEWSA-N 294.398 3.880 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C3CC3)cc2)c1 1436716249 WSOXIWBHQBGVSP-UHFFFAOYSA-N 276.339 3.996 30 20 CHED C[C@H](C#N)N(C)C(=O)c1cc2cc(Cl)ccc2s1 1460501092 SJRUADBEWLXRGV-MRVPVSSYSA-N 278.764 3.539 30 20 CHED N#Cc1ccc(CN2CCc3cc(Cl)ccc32)s1 1473865589 WQJWKBPWVKFUGS-UHFFFAOYSA-N 274.776 3.836 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1c(C)ccnc1C 1517658095 WRPJKCFRWBELAJ-AWEZNQCLSA-N 273.380 3.661 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)[C@@H](C)CC1CCCCC1 1520036081 JNIIAEJAHDLDJB-ZFWWWQNUSA-N 287.407 3.686 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1523106634 JHAHWMZXGNRURB-CYBMUJFWSA-N 290.794 3.768 30 20 CHED C[C@H](CC1CCCCC1)Nc1ncc(C#N)cc1F 1612314020 QVDQNORYDCBSHP-LLVKDONJSA-N 261.344 3.863 30 20 CHED N#Cc1cccnc1Sc1nc2ccc(F)cc2s1 1651409015 JJIRTTWPYFLQIJ-UHFFFAOYSA-N 287.344 3.853 30 20 CHED CC[C@]1(C)CCN(c2c(Br)cccc2C#N)C1 1655271184 WRZNPVUMFYCGSL-CQSZACIVSA-N 293.208 3.947 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CC1(C)C 1656473521 UROVUZIOSZMPSD-ZFWWWQNUSA-N 260.356 3.612 30 20 CHED CC(C)C(CNC(=O)Nc1ccc(F)cc1C#N)C(C)C 1667628114 BGDPULRVAANYTL-UHFFFAOYSA-N 291.370 3.747 30 20 CHED C=CCC[C@@H]1CCC(=NNc2ccc(C(=O)O)cc2)C1 1776013855 SVKUNRTVQBQPHZ-GFCCVEGCSA-N 272.348 3.919 30 20 CHED C[C@@H]1CCC(C)(C)CC1=NNc1ccc(CC(=O)O)cc1 1776085907 QYGYOZUZUSLWCX-GFCCVEGCSA-N 288.391 3.928 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2ccc(C3CC3)cc2)CC1 1776161551 KSYUOTDXWBIIKC-UHFFFAOYSA-N 299.414 3.807 30 20 CHED C=CCc1ccccc1CN[C@@H](CCC(C)(C)C)C(=O)O 1776188495 WJHYLZHFVZGEKM-INIZCTEOSA-N 289.419 3.784 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)c(F)c2)oc1C 1777418448 JHHXWRMABQLWEY-GQCTYLIASA-N 288.274 3.630 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)o2)cc1C 1777433759 GISHXYVIRLYXFF-VOTSOKGWSA-N 284.311 3.799 30 20 CHED O=C(O)Cc1cccc(/C=C2/CCc3sccc3C2=O)c1 1777651209 XFLOLKHZKAGHGM-LCYFTJDESA-N 298.363 3.588 30 20 CHED C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C#N 3438236 LLQUXMKOOWBTGH-CYBMUJFWSA-N 296.395 3.819 30 20 CHED C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(C#N)cc1 26136030 DOUMXKAQENRGFH-LLVKDONJSA-N 284.746 3.703 30 20 CHED N#Cc1ccc(NCc2ccccc2F)cc1Cl 37389964 LQRKLGNDEUGNSP-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1C 43144098 VEJVULDWGHWAQK-UHFFFAOYSA-N 293.370 3.839 30 20 CHED Cc1ccc(F)c(NC(=O)C2(C#N)CCCCC2)c1 44385434 BFUSFEHEAPESIM-UHFFFAOYSA-N 260.312 3.547 30 20 CHED N#Cc1ccc(CN(C2CCCCC2)C2CC2)c(F)c1 47904030 GGJYAAYXAGBECN-UHFFFAOYSA-N 272.367 3.994 30 20 CHED CN(C(=O)c1ccc(Cl)cc1F)c1cccc(C#N)c1 49121618 VXHUUNXEJYOACQ-UHFFFAOYSA-N 288.709 3.627 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CSc1ccccc1 49519290 JTBZRWJYUTZJKH-UHFFFAOYSA-N 282.368 3.598 30 20 CHED Cc1ccc(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c1 51637667 OGYALICKYKXMFI-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(-c2ccccc2)cc1 59022466 CKLBEQWYHRYFLY-OAHLLOKOSA-N 292.382 3.975 30 20 CHED CC(C)COc1ccccc1CNc1ncccc1C#N 60451389 ZEZNUHWWAKEHSA-UHFFFAOYSA-N 281.359 3.600 30 20 CHED N#Cc1ccc(SC2CCOCC2)cc1C(F)(F)F 62054338 JSXBLYHFIKPSGJ-UHFFFAOYSA-N 287.306 3.848 30 20 CHED N#Cc1ccc(Oc2cccc(F)c2F)c([N+](=O)[O-])c1 68916974 JHYACIPTOSCZBG-UHFFFAOYSA-N 276.198 3.537 30 20 CHED Cc1cc(C)c(NC(=O)Cc2ccc(C#N)cc2)c(C)c1 70158485 QZNLMKNYDBECBR-UHFFFAOYSA-N 278.355 3.665 30 20 CHED C[C@H](CCc1ccccc1F)C(=O)Nc1ccccc1C#N 73850292 XHRRIQRMFBVCER-CYBMUJFWSA-N 296.345 3.905 30 20 CHED C=C(Cl)C[S@@](=O)Cc1c(C)cc(C)c(C(C)=O)c1C 75472284 BGTXDKKBQSLLPU-IBGZPJMESA-N 298.835 3.816 30 20 CHED C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 75997318 XTVSMTCUPZALHV-QWRGUYRKSA-N 291.782 3.721 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)CCc2cc(O)ccc21 78561452 PWLSQYGCQKPAEO-XYOKQWHBSA-N 286.277 3.883 30 20 CHED N#Cc1cccc(NCc2cccc3ccccc23)n1 80118655 WRCBBVOACDNWIQ-UHFFFAOYSA-N 259.312 3.719 30 20 CHED CN(C(=O)c1cc(C#N)cs1)c1nc2ccccc2s1 84073827 OQZPKMXIGSJHNJ-UHFFFAOYSA-N 299.380 3.506 30 20 CHED N#Cc1csc(C(=O)N2CCC3(CCCCC3)CC2)c1 84093263 BKINNBJODVHOKI-UHFFFAOYSA-N 288.416 3.806 30 20 CHED N#Cc1cccc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 89269048 NVDGAMHXYJXTRH-HOCLYGCPSA-N 299.761 3.549 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCO[C@]2(CCSC2)C1 90542017 VILRCKQXDYTGPB-ARFHVFGLSA-N 283.481 3.766 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 93090712 VXSILXXCAJAAHJ-LBPRGKRZSA-N 299.330 3.589 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc2cn[nH]c12 93101002 OBCCLMXBMDEYPX-UHFFFAOYSA-N 284.407 3.715 30 20 CHED COc1ccc(/C=C2/CCOc3ccccc3C2=O)cc1F 102971149 JOVYMGBYVZPZSJ-RAXLEYEMSA-N 298.313 3.883 30 20 CHED CCN(CCC#N)C(=O)c1oc2c(C)ccc(C)c2c1C 103209950 GIJMVUNKNLVYHZ-UHFFFAOYSA-N 284.359 3.734 30 20 CHED C=CCCO[C@H](C)c1nc(CCCc2ccccc2)no1 109574718 UINJUIBZIQNNOA-CQSZACIVSA-N 286.375 3.899 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cc3ccccc3o2)C1 116806432 AGQSCCBGWHZPFM-SJCJKPOMSA-N 282.343 3.635 30 20 CHED CCCCCCCCCSc1ncc(CO)n1C 116834907 WBVIWJAHBYMKMG-UHFFFAOYSA-N 270.442 3.755 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCc2c(Cl)cccc21 116949447 JMLQUVXKGLQJHG-IINYFYTJSA-N 278.783 3.591 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 119565466 RYCQDHWUWPDWKE-OAHLLOKOSA-N 287.403 3.845 30 20 CHED C=CCC[C@@H](NCC1(CCOC)CCCC1)C1CC1 121673997 LTXLRHIGZMSXHD-MRXNPFEDSA-N 265.441 3.918 30 20 CHED C[C@@H](c1cccs1)[S@@](=O)Cc1cccc(C#N)c1 127677809 JMTGTLHVMONFDJ-BBATYDOGSA-N 275.398 3.630 30 20 CHED CC(C)c1cccc2c1OCC/C(=C\c1cnn(C)c1)C2=O 129139803 CCBCOIGPMBJRKN-NTEUORMPSA-N 296.370 3.592 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)[nH]1 130916960 YRAGAOTZDZCFEK-UHFFFAOYSA-N 297.358 3.543 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccc([N+](=O)[O-])cc1 133784389 CEZAKWXYVFGDQO-UHFFFAOYSA-N 296.326 3.975 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cc(Br)ccc1O 134931798 UHKZXDHRMVBJCX-NXEZZACHSA-N 284.197 3.770 30 20 CHED Cc1cnc([C@H](C)Nc2cccc(F)c2C#N)s1 134932528 HEQXFNOKBLJWDD-VIFPVBQESA-N 261.325 3.635 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(Br)cc1O 134932660 GACGHWLVIPTGDP-QMMMGPOBSA-N 290.588 3.558 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 136163539 BNHIFJALJSGHFK-USOFRPGISA-N 288.435 3.647 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(Cl)c1C 136165980 KRLXPEFFJDXPMU-CYBMUJFWSA-N 250.729 3.527 30 20 CHED N#CCc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1 151710158 LIWYIYSRGGBNPI-UHFFFAOYSA-N 297.402 3.941 30 20 CHED CC(C)(CCC#N)CNc1cccc(-n2cccn2)c1 157506718 VTXSZLINLGXWSM-UHFFFAOYSA-N 268.364 3.614 30 20 CHED C=C(C)COCCN[C@@H](C)c1oc2ccccc2c1C 163516828 SBHIBCLEWLNDIR-AWEZNQCLSA-N 273.376 3.985 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(C#N)cn1 170964063 KJZAAWDUGSGSAY-UHFFFAOYSA-N 287.407 3.776 30 20 CHED N#Cc1ccc(OC(=O)c2cccc(C(F)F)c2)cc1 171516327 CUYRPWYGZCIKLT-UHFFFAOYSA-N 273.238 3.715 30 20 CHED N#Cc1cccc(NC(=O)C/C=C/c2ccccc2F)c1 174923933 DITHJLILIABVPH-QPJJXVBHSA-N 280.302 3.739 30 20 CHED C[C@@H](NC(=O)c1cccc(CC#N)c1)[C@H](C)c1ccccc1 177191090 XXSWGGQVAAJYFZ-LSDHHAIUSA-N 292.382 3.675 30 20 CHED C=CCCCC(=O)Nc1ccccc1OCC(F)(F)F 177496512 YFLJWLGFOXOCIN-UHFFFAOYSA-N 287.281 3.923 30 20 CHED C=CCCCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 177843613 DXFMTAYZGCDJMG-VKJFTORMSA-N 287.403 3.720 30 20 CHED C=CCCCC(=O)N(CCc1cccc(F)c1)C1CC1 177858056 CZHLZUSXHSXHBJ-UHFFFAOYSA-N 275.367 3.716 30 20 CHED C[C@@H](NCc1cc(F)cc(F)c1)c1cccc(C#N)c1 179094596 QOZBIZMOWSUEEX-LLVKDONJSA-N 272.298 3.687 30 20 CHED C=C[C@H](CC(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1 179170874 DFYXNTMZHAZYOL-CQSZACIVSA-N 297.402 3.937 30 20 CHED Cn1nc(C2CCCC2)cc1NCc1cccc(C#N)c1 181024492 APNTVVSURDYQFB-UHFFFAOYSA-N 280.375 3.561 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)CCc1c[nH]c2ccccc12 181991621 WCMPXZANQXNUHZ-HNNXBMFYSA-N 284.359 3.582 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1sccc1CC 182584175 HSOFITMDCFHOAX-LLVKDONJSA-N 251.395 3.785 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](C)c2ncc(C)s2)n1 182750786 VFYYBNSPQUIWDN-SNVBAGLBSA-N 286.404 3.551 30 20 CHED COc1ccsc1C(=O)/C=C/c1cc(C)c(O)c(C)c1 184769446 CUIRBAVVMLBWQY-SNAWJCMRSA-N 288.368 3.975 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1CCc1ccccc1 185216194 DGHZOUACPJNIDJ-SFHVURJKSA-N 283.415 3.804 30 20 CHED CCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1OC 185734371 BJZRCYMCAHMOQQ-QWHCGFSZSA-N 274.364 3.588 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2cc3ccccc3o2)C1 185838351 DFYCRZSJITUIHE-UKRRQHHQSA-N 268.360 3.647 30 20 CHED C=CCC[C@H](C(=O)Nc1cccnc1)c1ccccc1 186388405 DSIWRGLUURJCGS-INIZCTEOSA-N 266.344 3.770 30 20 CHED CCCCOc1ccc(C(=O)N[C@H](C#N)CC)c(Cl)c1 186672077 ZLDRFEFJDMKCER-NSHDSACASA-N 294.782 3.551 30 20 CHED CCN(CCCCCOc1ccccc1)C[C@H](C)C#N 189743526 IBVQCEHWSSGBKW-MRXNPFEDSA-N 274.408 3.717 30 20 CHED N#Cc1ccc(C(=O)N2CCCC3(CCCCC3)CC2)nc1 190661639 AJYRUUBDHXLLLV-UHFFFAOYSA-N 297.402 3.530 30 20 CHED C#CCCCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 192125002 KGWAAEOIWXZIDV-CYBMUJFWSA-N 269.344 3.756 30 20 CHED CC(C)N(CC1CCC1)C(=O)Nc1ccc(C#N)cc1 194787887 KWJANNUDWGLZOY-UHFFFAOYSA-N 271.364 3.601 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C#N)cs2)c(OC)c1 254912612 GURGBMRIYGGOJI-XQRVVYSFSA-N 299.351 3.533 30 20 CHED Cc1ccc2c(c1)OCC/C(=C/c1cccc(O)c1)C2=O 255497425 LJBBVIAUVHJQIV-UVTDQMKNSA-N 280.323 3.749 30 20 CHED CC(=O)Nc1ccc(/C=C2\CCCC(C)(C)C2=O)cc1 255727532 JCGGAHBJTAITAZ-SDNWHVSQSA-N 271.360 3.808 30 20 CHED C[C@H](C#N)CN(C)C(=O)C1(c2cccs2)CCCCC1 265690690 YONRAGWIKFKMEH-CYBMUJFWSA-N 290.432 3.568 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C)cc1Cl)OCC 270130971 OXPZIWAOGAFIET-AWEZNQCLSA-N 281.783 3.958 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(F)cc1Cl)OCC 270136939 QPXBTJFCOXBMNB-CYBMUJFWSA-N 285.746 3.789 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1nc2ccsc2s1 275497058 QITGGKNILSYWOG-CYBMUJFWSA-N 296.417 3.525 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](c1ccccc1)C1CCCC1 278306685 SZHLLCLIRBDHCM-QGZVFWFLSA-N 284.403 3.974 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccccc1CCO 278716118 OMFZMLINCSHFLU-UHFFFAOYSA-N 295.382 3.602 30 20 CHED CC[C@H](Nc1cc(C)ccn1)c1ccc(C#N)cc1 278846039 VDDNCHSLEHYDLB-HNNXBMFYSA-N 251.333 3.825 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1sccc1C 280715169 DZLYFBYXFXULTQ-IHRRRGAJSA-N 265.422 3.688 30 20 CHED C=C(C)[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1 285363972 VTIRPWOAVKRLNU-BMIGLBTASA-N 277.318 3.656 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 289478607 IBAVFOAPQVOQFC-FHLIZLRMSA-N 296.414 3.653 30 20 CHED COc1cc(F)c(F)cc1NCCCC(C)(C)C#N 290649590 OOXIQAAGXXSJTR-UHFFFAOYSA-N 268.307 3.715 30 20 CHED C[C@H](SC[C@H]1CCC[C@@H](O)C1)c1cccc(C#N)c1 292108805 PZGSTODFFQOUQH-DUVNUKRYSA-N 275.417 3.904 30 20 CHED Cc1cc(CN(CCC#N)Cc2ccco2)ccc1N(C)C 292904108 WGEGUPATXFRVQG-UHFFFAOYSA-N 297.402 3.570 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2ncc[nH]2)c1 292964685 GFFXNAPFAVUTKO-UHFFFAOYSA-N 269.348 3.618 30 20 CHED CC(C)Oc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 294958432 IDPWHMVMCQWEFC-KBPBESRZSA-N 258.365 3.968 30 20 CHED C[C@]1(CO)CCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 301334133 CGCORQBJOPDRFL-ZIAGYGMSSA-N 298.308 3.540 30 20 CHED N#Cc1ccc(N2CCCC3(CCCCCC3)C2)nc1 301476970 TXLVNWNRJHMKQI-UHFFFAOYSA-N 269.392 3.894 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1Nc1cccc(C#N)n1 301857830 RYJUICJUIGUHGF-PIGZYNQJSA-N 281.334 3.828 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1c1cccc(F)c1C#N 302198811 QIUASAGOZYAJSM-LLVKDONJSA-N 284.309 3.960 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1ccc(OCC#N)cc1 308084828 FINAKMOMCJARID-CQSZACIVSA-N 288.391 3.990 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)c2cc(C)sc2C)n1 308181172 QBMBWRIPUGKHOT-SNVBAGLBSA-N 286.404 3.762 30 20 CHED N#CCc1cccc(NC(=O)c2cccc(Cl)c2F)c1 313428003 BMSFAZIXYLIHPB-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CC[C@H](C)[C@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 315491177 WZXVEERNKMPEBE-HOCLYGCPSA-N 286.419 3.872 30 20 CHED N#Cc1cccc(-c2nc(-c3cnc4ccccc4c3)no2)c1 323706521 HJBHNOZUNJCHKZ-UHFFFAOYSA-N 298.305 3.823 30 20 CHED Cc1noc(C)c1[C@H](C)C/N=C(/O)[C@@H]1CC12CCCC2 328642862 AEUITZIBEBJOSX-MFKMUULPSA-N 276.380 3.932 30 20 CHED CC[C@@H](/N=C(/O)c1scnc1C1CC1)C1CCOCC1 328838417 NVRBCYLXYOMJNN-GFCCVEGCSA-N 294.420 3.530 30 20 CHED Cc1nc(C)c(C/N=C(/O)C[C@H]2CCc3ccccc3C2)o1 329350052 WRLHDNBYYACRJM-AWEZNQCLSA-N 298.386 3.943 30 20 CHED N#Cc1csc(C(=O)N[C@H]2CCCCC23CCCC3)c1 329752023 WBKDZPBIBCSUKQ-AWEZNQCLSA-N 288.416 3.853 30 20 CHED Cc1ccc(C(C)(C)/N=C(/O)[C@@H]2CCC(=O)C[C@H]2C)cn1 329789946 SSZXRQXPHMVJPP-IAQYHMDHSA-N 288.391 3.587 30 20 CHED CC(C)(C/N=C(/O)C1CCC(=O)CC1)Oc1ccccc1 329913179 XENUAXUESSCSMH-UHFFFAOYSA-N 289.375 3.560 30 20 CHED CC(C)(C#N)CC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 335093685 RQTMCBLVJKKHJS-HNNXBMFYSA-N 284.403 3.926 30 20 CHED Cc1cc(F)ccc1NC(=O)N1CCC(CCC#N)CC1 335470505 PGAQVRDUPWLMGP-UHFFFAOYSA-N 289.354 3.682 30 20 CHED C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 335583557 IILPKPWASXXVIK-GXFFZTMASA-N 291.782 3.716 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H]1c1cccnc1 336828215 XIQHNWOSHXWJJS-INIZCTEOSA-N 271.408 3.939 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(-n2cccc2)cc1 337099405 UMHPXKFIYGJCHC-OAHLLOKOSA-N 268.360 3.562 30 20 CHED C=CCOCCN[C@@H](C)c1nc(-c2ccccc2)cs1 339085752 HYEINKXVIIMFSQ-ZDUSSCGKSA-N 288.416 3.663 30 20 CHED Cc1ccc(C[S@](=O)Cc2ccccc2C#N)cc1C 339154465 PTNKPTDPOIYOQQ-FQEVSTJZSA-N 283.396 3.624 30 20 CHED N#Cc1ccc(OCc2nc(C3CC3)cs2)c(F)c1 342478542 LBUGCRXJDILPIT-UHFFFAOYSA-N 274.320 3.610 30 20 CHED Cc1c(Cl)cnc(N(CCC#N)CCC(C)C)c1C#N 343524332 HARGAFADRDALKA-UHFFFAOYSA-N 290.798 3.681 30 20 CHED N#CC1(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 343578999 GCDLORSJSRNQPQ-GFCCVEGCSA-N 286.272 3.713 30 20 CHED CCN(CCC#N)C(=O)CCSc1ccc(C)c(C)c1 343889036 PRMAYLHREKGBNK-UHFFFAOYSA-N 290.432 3.548 30 20 CHED CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C#N)cc1 346171627 FRUNEIXQTZVOSF-UHFFFAOYSA-N 298.773 3.874 30 20 CHED Cc1cc(Cl)cc2c1OCCC[C@H]2NCCCC#N 346806088 AUSPVVBUJHHNOD-CQSZACIVSA-N 278.783 3.756 30 20 CHED Cc1ccc(C#N)c(NCC2(c3cccc(F)c3)CC2)n1 346817838 OQWOROQQJXEEJA-UHFFFAOYSA-N 281.334 3.545 30 20 CHED N#Cc1cnccc1/C=C\c1cccc(OC(F)F)c1 349109267 MKRJOPBCFDRHSX-PLNGDYQASA-N 272.254 3.725 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@H]2CCC[C@@H]21 351169134 QKNRQEMOPJBWQU-HIFRSBDPSA-N 286.423 3.501 30 20 CHED CCN(CCC#N)C(=O)C(C)(C)c1cccc(Cl)c1F 355624944 SNCUFKZOVVUJCS-UHFFFAOYSA-N 296.773 3.519 30 20 CHED C=CCC[C@H](NCc1cccnc1OCC)c1ccco1 356069120 PXGFCHGPCRSVMB-HNNXBMFYSA-N 286.375 3.870 30 20 CHED CC[C@H](CC#N)NC(=O)CSc1ccc(C(C)C)cc1 358059062 CXQXREREIRUGCM-CQSZACIVSA-N 290.432 3.711 30 20 CHED CC[C@H](CC#N)NCc1cn(-c2ccccc2)nc1C(C)C 358288703 OKWJIUZGVHRIBT-MRXNPFEDSA-N 296.418 3.778 30 20 CHED C=CCCOCCN[C@H]1CCCc2ccc(C)cc21 358375364 QCISMAVJDYGJEH-KRWDZBQOSA-N 259.393 3.555 30 20 CHED C=CCOCCCSCC(=O)Nc1ccccc1Cl 359128583 ZGYQEPYLEZMQBG-UHFFFAOYSA-N 299.823 3.604 30 20 CHED C=CCC1(C(=O)N2CC3(CCC3)[C@H]2C(C)C)CCC1 359208955 PFBMFFVWSQLVGH-CQSZACIVSA-N 261.409 3.770 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCCc2c1cnn2C 359299651 HQEXNERYGGSEFL-DZGCQCFKSA-N 261.413 3.522 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C)cc1F 362957551 JQQHDIZJMYBLMS-UHFFFAOYSA-N 283.346 3.963 30 20 CHED C[C@H]1CCN(C(=O)NCCCCC#N)CC12CCCCC2 373327739 ZBROZYBIIBMIEX-HNNXBMFYSA-N 291.439 3.682 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C)c(Br)c1 393819212 LVNPHUVJYXYBKP-LBPRGKRZSA-N 296.208 3.842 30 20 CHED Cc1ccc(N(C)Cc2ccc(CC#N)cc2)cc1 398981777 GJLAZSJBGQBCKA-UHFFFAOYSA-N 250.345 3.698 30 20 CHED CCCCCCCCC(=O)N1CCC(CCCO)CC1 401026384 JRLREMYCCYFCMO-UHFFFAOYSA-N 283.456 3.748 30 20 CHED C[C@@H]1[C@@H](NCc2ccc(C#N)c(F)c2)CCC[C@H]1C 404132196 UVKQWLJPXLRYGF-WQGACYEGSA-N 260.356 3.612 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1C[C@H]1CC(C)C 410560549 UNMUQYOHYGNACQ-ZIAGYGMSSA-N 264.413 3.647 30 20 CHED CCCN(CCc1cccc(F)c1)[C@@H](C)CCC#N 411277068 HQXCEFZGGOMDCU-AWEZNQCLSA-N 262.372 3.772 30 20 CHED CC(C)C[C@@H](NCCC#N)c1ccc(Cl)cc1 411479227 ZGIIPTKKFUHVQU-CQSZACIVSA-N 250.773 3.930 30 20 CHED C=CCCCCNC(=O)c1cc(OC)cc(Cl)c1F 412258941 POVJEUOGJUTOQZ-UHFFFAOYSA-N 285.746 3.574 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)C(C)(F)F 413837809 RIEMBHATKRKRII-JSGCOSHPSA-N 296.361 3.517 30 20 CHED CC(C)(C)C[S@](=O)CCC1(C#N)CCCCC1 414244367 QANRNHQNKAHXGU-QGZVFWFLSA-N 255.427 3.645 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N1CCc2cc(C#N)ccc21 416009960 GHEVNHMLRWDUER-HOCLYGCPSA-N 282.387 3.664 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)NCC1(C#N)CCC1 416348686 VCVUNZYIJQIJDY-OAHLLOKOSA-N 276.424 3.793 30 20 CHED N#Cc1cc(Cl)ccc1CSCC[C@H]1CCOC1 419518488 BYWBYWDDWIXRPT-LLVKDONJSA-N 281.808 3.871 30 20 CHED C[C@@H](N[C@@H](CCCN)c1ccccc1)c1cccc(C#N)c1 423499411 AWTPFUXXTIUFLF-BEFAXECRSA-N 293.414 3.689 30 20 CHED Cc1ccc(C[C@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)cc1 424328441 OCGISNBIXQJJLA-JQHSSLGASA-N 268.404 3.598 30 20 CHED C[C@@H](C#N)N(CCCC#N)Cc1cccc(C(F)(F)F)c1 425535711 NXRQVPFBTUHHPH-LBPRGKRZSA-N 295.308 3.723 30 20 CHED Clc1ccc(C#CCN2CCc3ccccc3C2)cc1 426377665 DGRQYUADKYYMMF-UHFFFAOYSA-N 281.786 3.750 30 20 CHED C=C[C@@H]1CCCCN1Cc1c(C)nn(C(C)(C)C)c1C 426548407 MPNISQBKSQMYIP-OAHLLOKOSA-N 275.440 3.795 30 20 CHED Cc1cccc(C)c1NCc1cccc(F)c1C#N 427513268 FBFRALHCQHYSAV-UHFFFAOYSA-N 254.308 3.926 30 20 CHED N#Cc1c(F)cccc1CN(C#N)c1ccccc1Cl 427531339 PRCKUMWTSFSRHV-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C=CCN(C)C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 428280924 IFLATFBAWROAGA-UHFFFAOYSA-N 287.403 3.629 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1O 436826207 JJVXDCAJPSYWRZ-CQSZACIVSA-N 295.382 3.677 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ncc(CCC)s1 439372533 RVILSPVAFFZSED-SNVBAGLBSA-N 267.398 3.572 30 20 CHED C=CCN(CCOC)C(=O)Nc1cc(C)c(Cl)c(C)c1 442442071 GQQDGRXMOKOTAT-UHFFFAOYSA-N 296.798 3.623 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(CCOCc3ccccc3)CC2)C1 442833458 HZJWLGNHWFRYOH-QZTJIDSGSA-N 298.430 3.655 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]1C1CCOCC1 444683011 CXHGEBFSAVDHTF-MRXNPFEDSA-N 278.440 3.597 30 20 CHED CC(C)(NCC#Cc1ccc(F)cc1)c1ccccc1 446829262 FVRVAXROJYZUGR-UHFFFAOYSA-N 267.347 3.702 30 20 CHED CC[C@H](NCCc1ccc(F)cc1)c1ccc(C#N)cc1 447519753 ZJOORYIEHALSHQ-SFHVURJKSA-N 282.362 3.981 30 20 CHED C[C@H](C#N)CN(C)C(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 447803409 ADHAINZFHLSGBJ-ZNMIVQPWSA-N 293.455 3.640 30 20 CHED N#Cc1ccsc1NC(=O)Cc1cccc(C(F)F)c1 448096753 JANPAFGBPXUVTR-UHFFFAOYSA-N 292.310 3.739 30 20 CHED C=CCOc1cccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1 448785851 XHSAKZFSRRLWEU-XEZPLFJOSA-N 271.360 3.626 30 20 CHED C=C(C)CCNC1CCN(Cc2ccc(Cl)cc2)CC1 449476895 NWZWVQREDCORAC-UHFFFAOYSA-N 292.854 3.860 30 20 CHED C=C(C)CCNC[C@@H](C)Cc1ccc(OC)c(F)c1 449476914 NZUVDDLELJLOKG-ZDUSSCGKSA-N 265.372 3.569 30 20 CHED CC(C)[C@H]1CN(CC(C)(C)CCC#N)[C@@H]1C(C)C 449559879 ZOYRDWHKPBNNNM-HUUCEWRRSA-N 250.430 3.929 30 20 CHED C=CCC1(NCc2cn(C)nc2C(F)F)CCCCC1 449571547 GTUCRTIOZLOVDY-UHFFFAOYSA-N 283.366 3.726 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2ccncc2s1 450423033 HZJCWXKPPVQELG-NSHDSACASA-N 274.389 3.771 30 20 CHED C=C(CC)CNC(=O)c1c(C)nc2ccccc2c1C 456813759 RPODMBQSFIKGFN-UHFFFAOYSA-N 268.360 3.548 30 20 CHED C=CCC1(C(=O)NCC(C)(C)CC#N)CCCCC1 458015785 DXYDPLDYOGUUCR-UHFFFAOYSA-N 262.397 3.569 30 20 CHED CN(CC(C)(C)C#N)C(=O)NCC1(C)CCCCCC1 458612079 FGZZXODAXKWYFL-UHFFFAOYSA-N 279.428 3.538 30 20 CHED CN(CC1(C#N)CCC1)[C@H]1CCC[C@@H]1c1ccccc1 459714361 VACSEJRTIXAQOG-SJORKVTESA-N 268.404 3.948 30 20 CHED C=C(C)Cn1c(-c2ccccn2)nnc1N(CCC)CCC 460544646 FXAAUVDKZHUUIB-UHFFFAOYSA-N 299.422 3.543 30 20 CHED C[C@@H](C(=O)N1CC=C(C(C)(C)C)CC1)c1cccc(C#N)c1 462266877 DKQGRQKTVPWIKS-CQSZACIVSA-N 296.414 3.867 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 464754800 HSACYNIVYSMZQR-USXIJHARSA-N 286.419 3.929 30 20 CHED CCN(CCCSCC#N)c1cccc(Cl)c1 467197500 OSACFWYZNGJRHO-UHFFFAOYSA-N 268.813 3.813 30 20 CHED C=CCOCCCN(Cc1ccc(F)cc1)CC1CC1 470755106 IXLPIYULJMZYDU-UHFFFAOYSA-N 277.383 3.630 30 20 CHED C=C(C)CN(CC[C@H]1CCCN1C)Cc1ccccc1 470906980 QLPKUCUNIVXFPD-GOSISDBHSA-N 272.436 3.549 30 20 CHED C=CCCCCNC(=O)[C@@H](C)CCOc1ccccc1 471674878 XSVQWWMWNWTQBT-HNNXBMFYSA-N 275.392 3.564 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc(C(C)(C)C)cc1 480310477 SXXRTTONTOFRNB-UHFFFAOYSA-N 273.420 3.951 30 20 CHED C=C(CNCCCc1ccc2c(c1)CCO2)c1ccccc1 482231270 VNAPXTHBRIFKFJ-UHFFFAOYSA-N 293.410 3.857 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3nccc(C)c3C#N)C2)cc1 486476583 FBLWHGOLHBFOPC-NVXWUHKLSA-N 291.398 3.953 30 20 CHED N#Cc1ccc(C(=O)NCc2ccc3ccccc3c2)s1 486807510 GQEGMFLKRWWXDY-UHFFFAOYSA-N 292.363 3.703 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2ccc(C#N)s2)CC1 487036734 IDTVDNOMTFRIEI-GFCCVEGCSA-N 276.405 3.518 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@]12CCCc1ccccc12 488880780 RKCZNRVQDIEFAR-YVWKXTFCSA-N 295.426 3.848 30 20 CHED C#C[C@H](NCc1scnc1C)c1ccc(Cl)cc1 491631202 QCNHPJDFRHKONW-ZDUSSCGKSA-N 276.792 3.569 30 20 CHED C=C(CNC(=O)N[C@H]1CCC[C@@H]1CC)c1ccccc1 499196050 VGGPZLXMQBLVLC-HOCLYGCPSA-N 272.392 3.578 30 20 CHED N#Cc1ccc(/C=C/C=C/c2ccc(F)c(F)c2)nc1 504714021 ZZPFXQKMOKSWLY-ZPUQHVIOSA-N 268.266 3.958 30 20 CHED C=C(C)CCc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 508665082 KYGMYTUPONZYQT-UHFFFAOYSA-N 293.710 3.807 30 20 CHED C=C(C)CCN1CCc2c(F)cc(F)cc2[C@H]1C 509373353 PMSXQKIKEZQPTH-LLVKDONJSA-N 251.320 3.850 30 20 CHED C=C(C)CCN[C@@H](CO)c1c(Cl)cccc1Cl 510810256 LZTSNZQVGSGCKV-LBPRGKRZSA-N 274.191 3.583 30 20 CHED C=C(C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 512365493 ZJPNXEKSYNNMSD-UHFFFAOYSA-N 288.372 3.989 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CC)cc1 512490408 XTNYRTYGPUYBFW-WMLDXEAASA-N 287.403 3.950 30 20 CHED C=CC[C@H](C)NC(=O)NCC(C)(C)c1cccc(Cl)c1 522589263 RGPQZEWCVSCYIQ-LBPRGKRZSA-N 294.826 3.881 30 20 CHED C=CCCC1(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)CC1 527234752 KEFCLNMPYVNWLX-OCCSQVGLSA-N 273.376 3.766 30 20 CHED C[C@H](NC(=O)C[C@@H](C)c1ccco1)c1ccc(C#N)cc1 527849482 UHRWJKVAYASBEK-OLZOCXBDSA-N 282.343 3.522 30 20 CHED CC1(C)CCc2cccc(N[C@@H]3CC[C@H](C#N)C3)c2O1 528010436 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CCCCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C 539512163 MXVAXNYUJOBRLH-LSDHHAIUSA-N 292.448 3.693 30 20 CHED C=CC[C@@H](CC)NCc1cc2ccccc2nc1OC 545992779 AUUAGFGPQRKHPO-OAHLLOKOSA-N 270.376 3.688 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(Cc2cccc(C#N)c2)n1 547098644 PYFGQPQMAOAVKD-WFASDCNBSA-N 281.359 3.826 30 20 CHED C=C(C)Cn1c(N2CC[C@@H](C(C)C)C2)nnc1C(C)(C)C 549270641 IFDBXENAHBOJED-CQSZACIVSA-N 290.455 3.634 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCCC(C)(C)C 553551968 WNILCVOIKPLYDO-ZBFHGGJFSA-N 281.440 3.690 30 20 CHED N#Cc1ccc2c(c1)N(c1nc3ccccc3s1)CC2 559426504 ZTDSTALHEBLRTJ-UHFFFAOYSA-N 277.352 3.862 30 20 CHED N#Cc1nccc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)n1 565221354 IJKPJCJAOUGMIR-MRXNPFEDSA-N 298.777 3.955 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)cc1 569565805 AFBAANLUGXFZEV-BFHYXJOUSA-N 282.387 3.862 30 20 CHED Cc1cc(NC[C@@H](C#N)CCC#N)ccc1-c1ccncc1 569651095 YTEDPVPHBDFVJM-OAHLLOKOSA-N 290.370 3.912 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1ccc(C2CC2)cc1 572055505 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Cc1ccccc1-n1cc(CC2(C#N)CCCCC2)nn1 594652148 OVSFZDZEXHCIRE-UHFFFAOYSA-N 280.375 3.592 30 20 CHED C=CCCSCCN[C@H]1CCc2ccc(OC)cc21 595058731 KHPWISSITWARIL-INIZCTEOSA-N 277.433 3.581 30 20 CHED Cc1cc(C#N)ccc1CN1CCC([C@@H]2CCCCO2)CC1 595781260 BYSBFHRWLCBVQJ-IBGZPJMESA-N 298.430 3.648 30 20 CHED CCN(Cc1coc(-c2ccc(Cl)cc2)n1)[C@@H](C)C#N 595812351 JIYVCRUGJXVACW-NSHDSACASA-N 289.766 3.729 30 20 CHED N#CCC1(CSCc2cc(F)ccc2F)CC1 596334976 VYGXLMVXESPOTN-UHFFFAOYSA-N 253.317 3.892 30 20 CHED C[C@@H](CCC1CC1)NC(=O)CC1(C#N)CCCCC1 597520055 ZSVZAPVSCRCYHP-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED C=CCCSCCNCc1ccc2cc[nH]c2c1 598980487 HJUJWKPZWMHTRP-UHFFFAOYSA-N 260.406 3.567 30 20 CHED CC1=Nc2ccccc2C12CCN(CC1(CC#N)CC1)CC2 602863432 NSHBGXGTMZSEBK-UHFFFAOYSA-N 293.414 3.820 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(Cl)c2ncccc12 604904609 LRRAHPZOABWNKZ-JTQLQIEISA-N 289.766 3.974 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc2ccccc2n1C 610912487 LXXQGWYUPQTPIQ-UHFFFAOYSA-N 289.338 3.611 30 20 CHED 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3.823 30 20 CHED C#CC1CCN(C(=O)c2c[nH]cc2-c2ccc(C)s2)CC1 844046541 BSWQLYCURWVTRB-UHFFFAOYSA-N 298.411 3.537 30 20 CHED COC(=O)Cc1ccc(NN=C[C@@H]2CCCC[C@@H]2C)cc1 844605663 IDYBRYPSSRZGNT-ZFWWWQNUSA-N 288.391 3.626 30 20 CHED C=C(C)CONC(=O)N[C@H](C)c1ccc(SCC)cc1 845595389 GNKWZAALEDHTDW-GFCCVEGCSA-N 294.420 3.667 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCC[C@H]2CC2(Cl)Cl)C1 846109430 JDFFWZOOVIBQEG-GRYCIOLGSA-N 275.223 3.632 30 20 CHED C=C[C@H](C)ONC(=O)c1cccn1[C@@H](C)Cc1ccccc1 846551186 XQZGLKDLNHWRCS-GJZGRUSLSA-N 298.386 3.528 30 20 CHED COc1ccc(N[C@@H](C)Cc2ccsc2)cc1C#N 846748480 QWUGFMKRFBMFLW-NSHDSACASA-N 272.373 3.671 30 20 CHED O=C(O)Cc1ccc(NN=CCC2CCCCC2)cc1 848415144 XPMLAPPQOBXMDY-UHFFFAOYSA-N 274.364 3.682 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 848454424 NCTNAEVUYCFGIM-HZSPNIEDSA-N 297.439 3.599 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1cc(C(C)=O)cn1C 851141263 HEPFQKDZEXTPPA-CJNGLKHVSA-N 289.375 3.519 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1cc(CC)cnc1O 851143137 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RYGWYXABEXJTMA-UHFFFAOYSA-N 273.380 3.683 30 20 CHED C/C(=C\C(=O)Nc1cc(C#N)ccc1F)C(C)(C)C 891450332 GUCGBPWDZGMLIC-JXMROGBWSA-N 260.312 3.628 30 20 CHED Cc1cc(F)ncc1CN[C@H]1CCCc2cc(C#N)ccc21 894963969 HWTZQSAFOMOTBV-KRWDZBQOSA-N 295.361 3.568 30 20 CHED Cc1cnc(OCCCCC2(C#N)CCC2)c([N+](=O)[O-])c1 901503984 BAGQGPKGHYIRQX-UHFFFAOYSA-N 289.335 3.541 30 20 CHED O=C(/C=C\c1ccc(N2CCCCC2)cc1)c1ncco1 901519703 RHEWLMXROXOYMU-TWGQIWQCSA-N 282.343 3.561 30 20 CHED CCn1cncc1/C=C/C(=O)c1cccc(C(C)C)c1 901543033 JVZMCFRKBQOEFZ-CMDGGOBGSA-N 268.360 3.923 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2Cl)C1 902916702 AKPGACLXFVRCGH-VIFPVBQESA-N 298.173 3.761 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H](C)c2ccccc2C)n1 906021055 CYSXSAHQNSKGIX-AWEZNQCLSA-N 293.370 3.621 30 20 CHED C[C@@H]1CCc2c(C(=O)OCCCCC#N)csc2C1 912956129 ODHAKRGVWAFHBQ-LLVKDONJSA-N 277.389 3.724 30 20 CHED C=C(C)COC(=O)Cc1ccc(Cl)cc1Cl 916616878 KCWGYUSSHNCRSO-UHFFFAOYSA-N 259.132 3.655 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1ncnc2ccccc12 917733173 LJGQECVDNQZVRF-AWEZNQCLSA-N 291.379 3.857 30 20 CHED Cc1cc(C(=O)NC(C)C)ccc1N=Cc1ccccc1O 918714330 ZMIPQPJTMOVVTD-UHFFFAOYSA-N 296.370 3.589 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1CCc2cc(F)ccc21 920177299 FVVLFNLZTYZNLG-HNIBHBHRSA-N 285.318 3.646 30 20 CHED N#Cc1sccc1C(=O)OCCCCC(F)(F)F 923562991 OXDQBLRBMNBCRW-UHFFFAOYSA-N 277.267 3.509 30 20 CHED C=CCC1(O)CCN(C(=O)[C@@H](CC)CC2CCCC2)CC1 924432149 GUYUKAWIPPBTAQ-INIZCTEOSA-N 293.451 3.523 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cc(-c2ccccc2)no1 926345943 SPVUVDGUMVONHP-ZDUSSCGKSA-N 281.359 3.686 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](c1ccccc1)c1ccncc1 931858238 WVRQNGYUMXCMJG-DNVCBOLYSA-N 294.398 3.890 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)c1cccc(O)c1 933339871 OKBQSJLNGDPTBK-CQSZACIVSA-N 275.392 3.701 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C)[C@H]1c1ccccc1 933786149 MWLYJJOFWLLTIJ-VBQJREDUSA-N 257.377 3.808 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(Br)nc1C 935230723 ZFXHNRATHUYLAJ-JTQLQIEISA-N 297.196 3.693 30 20 CHED C=C[C@H](COC)NCc1ccc(F)c(-c2cccs2)c1 1116620326 IQUBLUFZGUEAKP-CYBMUJFWSA-N 291.391 3.845 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C(F)F)n2CC(=C)C)C1 1122455459 ABAAXKAZBXWIOV-LBPRGKRZSA-N 296.365 3.584 30 20 CHED Cc1cocc1C(=O)Nc1cc2ccccc2cc1C#N 1129676172 XZNCMQWLWCKIJM-UHFFFAOYSA-N 276.295 3.865 30 20 CHED Cc1cncc(C(=O)Nc2cc3ccccc3cc2C#N)c1 1129796214 POJQLUVYYUIBCB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CCC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCCC1 1131906807 WJNZSBFWDJRVKH-UHFFFAOYSA-N 296.374 3.734 30 20 CHED CCN(Cc1ccccc1F)Cc1ccc(F)cc1C#N 1141166706 HCFLANFRJDUQTG-UHFFFAOYSA-N 286.325 3.859 30 20 CHED Cc1nc(N2C[C@H](C)CC(C)(C)C2)c(Cl)cc1C#N 1162906897 HMQKBTMVCWJHTO-SNVBAGLBSA-N 277.799 3.788 30 20 CHED CC(C)c1ccc(O[C@H](C)CNc2cccc(C#N)n2)cc1 1163260066 FEOKNXUMTZLCMC-CQSZACIVSA-N 295.386 3.956 30 20 CHED COc1cc(Oc2ccncc2C(F)(F)F)ccc1C#N 1186304974 QNFXMEMZJKHEPH-UHFFFAOYSA-N 294.232 3.773 30 20 CHED N#Cc1cccc(-c2nnc([C@H]3CC34CCSCC4)o2)c1 1261575552 LLQFQYLOXPZIGB-CYBMUJFWSA-N 297.383 3.609 30 20 CHED COc1ccc(NN=Cc2ccccc2N2CCCC2)cc1 1319509432 JTCZOXJOSCIAHJ-UHFFFAOYSA-N 295.386 3.741 30 20 CHED CCC1(CC)[C@H](Nc2ccc(OCC#N)cc2)C[C@H]1OC 1319863076 IFRDJFQPLVPDAM-HZPDHXFCSA-N 288.391 3.595 30 20 CHED C#C[C@H](C)Nc1nnc(-c2ccccc2)cc1C(F)(F)F 1320369869 DATDCVGTKQDAJD-JTQLQIEISA-N 291.276 3.596 30 20 CHED COc1cccc2cc(CN[C@H]3CCC[C@H](C#N)C3)oc12 1321016475 UKSFUTNFSHKCQS-JSGCOSHPSA-N 284.359 3.613 30 20 CHED C=CCCc1nnc(-c2ccc(F)cc2Br)o1 1322558612 ZSKPEZAPDXOBJM-UHFFFAOYSA-N 297.127 3.757 30 20 CHED C#CCN(CC1CC1)C(=O)/C=C(/C)c1ccccc1Cl 1322962504 TWEFNIRTVIMJNM-QBFSEMIESA-N 287.790 3.615 30 20 CHED CC(Cc1ccc(C)cc1)=NN[C@H](C)c1ccncc1 1325902824 HSYFQVKZEIPOFX-OAHLLOKOSA-N 267.376 3.659 30 20 CHED C[C@H](CCC#N)CN[C@H](C)COCC1CCCCC1 1334317194 GAGRYEIZWJMURG-HUUCEWRRSA-N 266.429 3.501 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1ccc(OC)cc1 1339280726 LZQNYDIRDMATOX-INIZCTEOSA-N 287.403 3.585 30 20 CHED C#CCN(C/C(C)=C/c1ccccc1COC)CC1CC1 1343961001 HUECGAHXUJSXGS-FOWTUZBSSA-N 283.415 3.582 30 20 CHED N#C[C@@H](C(=O)C1(C2CCCCC2)CC1)c1cccc(F)n1 1344455957 KFWAOCRLBWXEPD-CYBMUJFWSA-N 286.350 3.757 30 20 CHED CCc1ccc(OC(=O)c2cccc(C#N)c2C)c(OC)c1 1344652101 VRPAVIKONUULCV-UHFFFAOYSA-N 295.338 3.657 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1 1348143727 CRXSDRGQVQIISQ-GFCCVEGCSA-N 282.318 3.515 30 20 CHED CC(C)c1cccc(NC(=O)c2ccsc2C#N)c1 1348466614 PPSYZBJCRXNBRO-UHFFFAOYSA-N 270.357 3.995 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)c1cccc(Cl)c1 1349905942 GYXYEXZLVBOOEE-BXUZGUMPSA-N 278.783 3.594 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)[C@H](CC#N)c1ccccc1 1435281453 XTAQVHBWEBYXIR-SQWLQELKSA-N 272.392 3.625 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cc(Cl)cs2)n1 1528283693 NUPNLRDRFQJFFN-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)cs1 1528980489 OQTJIEUTYUOMEZ-KBPBESRZSA-N 290.432 3.956 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(Cl)c3occc23)n1 1530123516 JJLLOLQFFSUCEQ-UHFFFAOYSA-N 297.701 3.605 30 20 CHED Cc1cc(C)cc(CC(=O)N(C)c2ccc(C#N)cc2F)c1 1536654955 XXTOLVHMIIUCRE-UHFFFAOYSA-N 296.345 3.520 30 20 CHED CSCc1ccc(Nc2cc(C)c(C#N)cn2)cc1 1559095597 HVTKEXHAJJFLAJ-UHFFFAOYSA-N 269.373 3.868 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccc(F)c(Cl)c1 1559927598 YBYXDPKXTWNKIN-UHFFFAOYSA-N 286.737 3.913 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2(Cc3ccccc3)CC2)c1 1588159442 NHSJBNSFHOLTNL-UHFFFAOYSA-N 294.329 3.659 30 20 CHED C=CCC1(NCc2cc(C(=O)O)c(C(C)C)[nH]2)CCCC1 1588769203 PLNMVCNTSKWYTA-UHFFFAOYSA-N 290.407 3.815 30 20 CHED C=CCC[C@H](NCc1cc(C(=O)O)co1)c1ccccc1 1588778600 GNPCAYBMCMYPLT-INIZCTEOSA-N 285.343 3.775 30 20 CHED Cc1ccc(C)c([C@@H](C)Nc2ncc(C#N)cc2F)c1 1612205957 ITZQZQQHXSJOIL-GFCCVEGCSA-N 269.323 3.882 30 20 CHED C[C@H]1C[C@@H](C)CN(CCN(C)[C@@H](C)c2cccc(C#N)c2)C1 1646331705 XBDWKWCWOHZCLQ-BBWFWOEESA-N 299.462 3.529 30 20 CHED Cc1cc(Oc2ccc(Cl)cc2F)ncc1C#N 1649197021 WDFRHFDIFYTKSC-UHFFFAOYSA-N 262.671 3.847 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2ncccc2C#N)C1(C)C 1652042011 VRHUYTSRZLNVLJ-AWEZNQCLSA-N 271.408 3.994 30 20 CHED Cc1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)ccc1C#N 1652051150 CDVOBVRFZAOKKN-CXAGYDPISA-N 256.393 3.877 30 20 CHED N#Cc1ccc(CCNC2(C3CCCCC3)CC2)cc1 1655041991 BKNLIKHLEWFLOG-UHFFFAOYSA-N 268.404 3.803 30 20 CHED CC[C@H](C)[C@H](C)N(Cc1cc(C#N)ccc1OC)C1CC1 1657284271 LLUVFQCNVXVFOB-KBPBESRZSA-N 286.419 3.966 30 20 CHED C[C@H]1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1657862733 WGLRVLZFNOQKQK-WDEREUQCSA-N 291.782 3.769 30 20 CHED CC(C)(NC(=O)Nc1sccc1C#N)c1cccs1 1671449689 MXLNUOKXFVTKJB-UHFFFAOYSA-N 291.401 3.738 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1674212992 DLGDFNRETHZVMI-GFCCVEGCSA-N 289.354 3.741 30 20 CHED O=C(/C=C/c1ccc2c(c1)OCCO2)C1CCCCC1 18063223 GHCFIRIFPALKOC-SOFGYWHQSA-N 272.344 3.620 30 20 CHED CCCOc1ccc(CNc2ccccc2C#N)cc1 20012293 HSALQKKMMHMCPC-UHFFFAOYSA-N 266.344 3.959 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1nc(C2CC2)cs1 26051868 FTIXWTZLBPJQEE-BQYQJAHWSA-N 295.367 3.544 30 20 CHED N#Cc1ccc(NCc2ccccc2O)cc1Cl 37393319 UNZVSYPKSODRRR-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(F)cc1 45935145 JJGBCKDANREKDW-UHFFFAOYSA-N 269.319 3.654 30 20 CHED Cc1cc(C)cc(N(C)CCOc2ccccc2C#N)c1 48554381 OEKSNTSBDUXBIX-UHFFFAOYSA-N 280.371 3.690 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1ccccc1)C2=O 48985764 PJGPFTGJEAHSOF-XNTDXEJSSA-N 264.324 3.962 30 20 CHED CC(C)Sc1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 49313846 CRHMVOCLIVAMLH-UHFFFAOYSA-N 288.416 3.705 30 20 CHED N#CCCCCN(Cc1ccccc1)Cc1ccco1 57590732 NYGJEMUWMNOWHZ-UHFFFAOYSA-N 268.360 3.976 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 60342001 ZNDOTZYMWJUFAV-YHVDPYDOSA-N 284.403 3.806 30 20 CHED C=CCN(CC=C)C[C@@H](O)c1ccc(Cl)cc1Cl 62350870 CDADPDVBBMMFLE-CQSZACIVSA-N 286.202 3.701 30 20 CHED C[C@@H](CN(C)C(=O)c1cccc(CC#N)c1)c1ccccc1 66458549 UICYPFOZERDMGE-HNNXBMFYSA-N 292.382 3.628 30 20 CHED Cc1cc(C)c2c(c1)N(C(=O)C1(C#N)CCCC1)CCC2 66476528 BOCORLJOAVWCLA-UHFFFAOYSA-N 282.387 3.667 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(Cl)c[nH]2)c1 66727353 RHXUEAJHDSSOSU-UHFFFAOYSA-N 290.750 3.875 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2nc(C)cs2)cc1 69168621 GKSOMIMKZYJIBJ-CYBMUJFWSA-N 288.416 3.867 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccnc2ccccc12 69177624 KKDZGMYJESSUMW-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)C 70238440 CIAACZQHXHKMKZ-UHFFFAOYSA-N 271.813 3.962 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](C)SC)c1 76831178 RXWYGVKOSLMMBA-ZDUSSCGKSA-N 299.395 3.546 30 20 CHED C=CCN(CC=C)C(=O)Nc1nc2c(s1)CCCCC2 78236232 ZUVSFOHAOWAMEZ-UHFFFAOYSA-N 291.420 3.618 30 20 CHED C=CCCC(=O)Nc1cc(C(F)(F)F)ccc1F 78463912 UQHUCQBGUFHSHJ-UHFFFAOYSA-N 261.218 3.749 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2cccc(C)c2)c1 78483477 ZRKZGLABKCYGFQ-UHFFFAOYSA-N 277.367 3.572 30 20 CHED CCN(Cc1cccc(Cl)c1Cl)C[C@@H](C)C#N 91984088 HCENJWXNDXOESF-JTQLQIEISA-N 271.191 3.975 30 20 CHED C=CCCCCCN(C)Cc1ccc(COC)o1 93497969 BNCOGBMNVGKWDI-UHFFFAOYSA-N 251.370 3.604 30 20 CHED CCCCN(c1nc(C(F)(F)F)ccc1C#N)C1CC1 94335076 JTBQPYBHPCFKQT-UHFFFAOYSA-N 283.297 3.741 30 20 CHED CCOc1ccc(OC)cc1NCc1ccc(C#N)cc1 105397171 URGPCFRQKWAHJJ-UHFFFAOYSA-N 282.343 3.578 30 20 CHED N#CCCCN[C@@H](c1ccccc1)c1ccc(F)cc1 109790355 IPEKGOMTYJYINS-KRWDZBQOSA-N 268.335 3.808 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1 112570032 MHYWPBYGVGAJPI-JXMROGBWSA-N 274.266 3.870 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 115972508 QNVSJZMHQZUAME-VXGBXAGGSA-N 298.292 3.579 30 20 CHED Cc1ccc(NC(=O)CNc2ccc(Cl)c(C#N)c2)cc1 122478257 JDANHGMJWGJKBC-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1ccc(F)cc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 123235544 OTXPKANAMROJKJ-GFCCVEGCSA-N 297.333 3.889 30 20 CHED CCc1ccccc1CNCc1ccc(O[C@H](C)C#N)cc1 123612836 HIODYRQYMROOBA-OAHLLOKOSA-N 294.398 3.830 30 20 CHED CC(C)(C)OC(=O)N[C@@H](CCC#N)c1ccccc1 124493019 ZXVDLPYGMPURTG-ZDUSSCGKSA-N 260.337 3.556 30 20 CHED N#Cc1ccnc(SCc2csc(C3CC3)n2)c1 125864623 HBHCMDNUNGIAKX-UHFFFAOYSA-N 273.386 3.579 30 20 CHED CC#CCNC(=O)c1oc2c(ccc3ccccc32)c1C 126528091 ZODNEPNCGLZDMU-UHFFFAOYSA-N 277.323 3.648 30 20 CHED C=CCOc1cccc(CN2CCC[C@@H]2c2ccc[nH]2)c1 127416814 QERRHFIYLVZVFC-GOSISDBHSA-N 282.387 3.917 30 20 CHED C[C@H]1C[C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)c1 128012875 IETHBQYEHYPHSE-ZJUUUORDSA-N 268.282 3.812 30 20 CHED C=CCCCCCN(C)C(=O)Cc1sc(=S)[nH]c1C 128757837 NFDXEQZRCNSYBJ-UHFFFAOYSA-N 298.477 3.861 30 20 CHED N#Cc1ncccc1N1CCC2(CCCCC2)CC1 129996721 VWBWCJIWDCRFMY-UHFFFAOYSA-N 255.365 3.504 30 20 CHED N#Cc1ccccc1NC(=O)c1cccc(Cl)c1F 130691598 VBGLHBWYOAIBLZ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)Cc2ccc(C#N)o2)c1 131365665 HEDHQVHASDKVQS-CQSZACIVSA-N 268.360 3.961 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1C#N 132534837 BFPABFCEXBZGFJ-QHHAFSJGSA-N 299.276 3.741 30 20 CHED C=CCC(CC=C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 134107328 APUPXKOOUAWCKY-BMFZPTHFSA-N 261.409 3.934 30 20 CHED Cc1cnc([C@@H](C)Nc2cccc(F)c2C#N)s1 134932510 HEQXFNOKBLJWDD-SECBINFHSA-N 261.325 3.635 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(-c2ccc(Cl)cc2)no1 143129611 ZXIYFKKYWOEBMT-LLVKDONJSA-N 289.766 3.586 30 20 CHED C=C[C@@H](CC(=O)Nc1cccnc1OCC)c1ccccc1 152767687 IXLFVKICGOSCCJ-AWEZNQCLSA-N 296.370 3.779 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)COc1ccc2ccccc2c1 154344435 MOFYPSGRLVTGPS-INIZCTEOSA-N 297.354 3.700 30 20 CHED Cc1cccc([C@H](C)NCc2ccc(OCC#N)cc2)c1 157237409 MSSYNMKNXOEJCU-HNNXBMFYSA-N 280.371 3.748 30 20 CHED CN(CCCC(C)(C)C#N)Cc1cccc(N(C)C)c1 159047830 ZPADIFOBQLROHY-UHFFFAOYSA-N 273.424 3.514 30 20 CHED COc1ccc(F)cc1[C@H](C)NCc1ccccc1C#N 160278057 RBKZOGPLLUOXAG-LBPRGKRZSA-N 284.334 3.557 30 20 CHED CCCCCCCn1cc(C#N)c(=O)c2ccccc21 171555169 PXQUGOGUWDPICU-UHFFFAOYSA-N 268.360 3.844 30 20 CHED N#Cc1cccc(OCCSc2ccccc2C#N)c1 172680562 RDIYTFBQFPQBIE-UHFFFAOYSA-N 280.352 3.601 30 20 CHED C#CCCCNC(=O)CC1CCC(c2ccccc2)CC1 172940056 ZVHLAQVXKBBDOL-UHFFFAOYSA-N 283.415 3.880 30 20 CHED Cc1ccccc1NC(=O)CSc1ccccc1C#N 173718568 LMMYNMDNJNVAMY-UHFFFAOYSA-N 282.368 3.598 30 20 CHED C=CCCCC(=O)NCC(C)(C)c1cccc(F)c1 175713557 VAQUBFUDEDXPBJ-UHFFFAOYSA-N 263.356 3.576 30 20 CHED N#Cc1cc(NC(=O)N(C2CCCC2)C2CC2)ccc1F 175829674 DNGVXFLTBFTCGK-UHFFFAOYSA-N 287.338 3.636 30 20 CHED N#Cc1ccc(CN[C@H]2CCCOc3ccccc32)s1 176959437 XQSLXGBTOGJUMK-HNNXBMFYSA-N 284.384 3.623 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(C)cc1Cl 177867422 CBBXJUOQVLSDJO-UHFFFAOYSA-N 269.797 3.896 30 20 CHED CCCCCCCS(=O)(=O)Cc1nc(C)c(C)s1 178470577 WLRJSTBCGCUKSU-UHFFFAOYSA-N 289.466 3.645 30 20 CHED C=CCN(Cc1cnn(C(C)C)c1)Cc1ccccc1F 179565845 WXAZMBYJTJGIQB-UHFFFAOYSA-N 287.382 3.791 30 20 CHED CC[C@H](C)[C@H](NCCCC(C)(C)C#N)C(=O)OC(C)(C)C 179847440 AFXCTNOTHKHNRS-KBPBESRZSA-N 296.455 3.662 30 20 CHED Cc1nc(C)c(CNc2ccccc2O[C@@H](C)C#N)s1 181132598 GOIRPOGCCGXKJP-JTQLQIEISA-N 287.388 3.663 30 20 CHED C=CCCC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 182445142 VYRXHBGKCKCIFT-CYBMUJFWSA-N 279.767 3.636 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCc1ccccc1 182584983 YLXRLKWXRZFPLK-HNNXBMFYSA-N 259.393 3.870 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc(-c2ccccc2)nc1 182594132 PWAPDMZCDIRWEW-AWEZNQCLSA-N 295.386 3.618 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 182683544 JEJMVDIIPZMZTR-HUUCEWRRSA-N 272.392 3.812 30 20 CHED C=CCCCN[C@@H](COCC(C)C)c1ccco1 184211443 WUIYFCQKGDUTCF-AWEZNQCLSA-N 251.370 3.549 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc2oc(C3CC3)nc2c1 184558886 DAYUXOGHTXQLML-LLVKDONJSA-N 298.346 3.519 30 20 CHED CC(C)Oc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 185724640 OFHQJWWJUHXVDV-HIFRSBDPSA-N 258.365 3.968 30 20 CHED C=C(C)[C@H](NCCc1cccnc1)c1ccc(F)c(F)c1 187768005 XTEZOEVIFDKAPQ-KRWDZBQOSA-N 288.341 3.809 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(C(C)C)c1 187990319 QIYZNYFPEPSQEJ-QGZVFWFLSA-N 275.392 3.977 30 20 CHED C#CCCCC(=O)Nc1ccc(Sc2ccncc2)cc1 190447175 QVGBWKYJHVQMAK-UHFFFAOYSA-N 296.395 3.975 30 20 CHED N#CCC1(COC(=O)c2ccc(C3CCC3)cc2)CC1 192239323 BWIGCKUZZLDNNQ-UHFFFAOYSA-N 269.344 3.805 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(-n2cccn2)c1 192920864 DJBXLLXUYBXDQK-YQQAZPJKSA-N 294.402 3.605 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 210014141 HUTQWGRSAOKVSL-YFHOEESVSA-N 268.312 3.556 30 20 CHED C#CCSCCN[C@H](C)c1ccc(C(F)(F)F)cc1 219228816 PHVLGQFMZNSTSK-LLVKDONJSA-N 287.350 3.722 30 20 CHED C[C@@H](CCc1ccco1)Nc1cc(F)cc(C#N)c1 227612008 JRIPJNNTYBDJAE-NSHDSACASA-N 258.296 3.724 30 20 CHED N#Cc1cc(Br)ccc1O[C@H]1C=CCCC1 228329213 CRPWDKRSNVJLQN-LBPRGKRZSA-N 278.149 3.808 30 20 CHED C=C(Cl)CN[C@@H](C)Cc1ccc(Br)cc1 235136764 QODFBHMCUKMWPZ-JTQLQIEISA-N 288.616 3.722 30 20 CHED C[C@H]1[C@H](C)CCCN1Cc1ccc(O[C@H](C)C#N)cc1 245560740 NESXMCKYSHCGSQ-KFWWJZLASA-N 272.392 3.598 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(O)c(Cl)c1 254975111 OCHAIZUYEICCOE-HYXAFXHYSA-N 262.692 3.843 30 20 CHED Clc1cccc(C=NOCc2cccnc2)c1Cl 255883528 IXHXOETVTLLFIK-UHFFFAOYSA-N 281.142 3.939 30 20 CHED CC(C)c1ccc(CCNCC2(C#N)CCC2)cc1 258971716 SZHBIAFDPGBOPY-UHFFFAOYSA-N 256.393 3.636 30 20 CHED C=CCCC(=O)NCCc1nc2cc(Cl)ccc2s1 263665571 KYLIKYNOXOXTPG-UHFFFAOYSA-N 294.807 3.575 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1c1ccccc1 273881786 LUJFEVXDHOGYFN-WBVHZDCISA-N 287.403 3.721 30 20 CHED C=CCCO[C@H](C)c1nc([C@@H](C)SCC)no1 273940434 MLBQLQRSERXLJJ-NXEZZACHSA-N 256.371 3.537 30 20 CHED C=C1CCN(C(=O)c2cc(C)cc(Br)c2)CC1 274280101 HMLZCEUFUSKOFX-UHFFFAOYSA-N 294.192 3.550 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 274517986 ZIVKOECWXJKAFU-QWHCGFSZSA-N 279.330 3.541 30 20 CHED Cc1cnc(C2CCN(CCC(C)(C)C#N)CC2)s1 277429355 MWJWMNIQXCIDBP-UHFFFAOYSA-N 277.437 3.571 30 20 CHED C[C@H](c1ccccn1)N(C)CCCCC(C)(C)C#N 277576631 BUQKXCZAORVGHZ-CQSZACIVSA-N 259.397 3.794 30 20 CHED Cc1ccc(CN(C(=O)CC(C)(C)C#N)C(C)C)s1 278323204 VVIFVXQBYIRKFK-UHFFFAOYSA-N 278.421 3.733 30 20 CHED CN(Cc1cccc(OC(F)(F)F)c1)[C@H]1CC[C@@H](C#N)C1 278623401 NMVKVEGBKOYMQD-YPMHNXCESA-N 298.308 3.709 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(C#N)oc1C 280618963 KVJLJRGLAVTDFN-ABAIWWIYSA-N 274.364 3.501 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC(C)C)c1ccccn1 280715521 FDBHGEOQKFJJLD-NJAFHUGGSA-N 288.435 3.740 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1ccc2cc[nH]c2c1)OCC 280726600 YMJIYVKMRNSLHT-INIZCTEOSA-N 286.375 3.502 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 280759309 LVFPUSIXWVHPTJ-MQMHXKEQSA-N 290.794 3.642 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc(Cl)s1 281393578 OKCSYJJQMWHIPL-SNVBAGLBSA-N 271.813 3.805 30 20 CHED Cc1nc(-c2ccc(C(=O)NCCCCC#N)cc2)cs1 281606103 GFBIFSYNVHVWGJ-UHFFFAOYSA-N 299.399 3.542 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(-c2csc(C)n2)c[nH]1 281739678 ORMZOXUIVYVSKB-GFCCVEGCSA-N 289.404 3.531 30 20 CHED CCN(CCCC1(C#N)CCOCC1)Cc1ccccc1 281884226 DGAYGLOKLXZCFR-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C=CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 283079730 DMRPJLYDGYJUHN-BJWYYQGGSA-N 269.388 3.890 30 20 CHED CC[C@](C)(C#N)c1nc([C@H]2CCCc3ccccc32)no1 285376555 OLQUAWOLHKHSTL-WMLDXEAASA-N 281.359 3.729 30 20 CHED C[C@@H](/N=C/c1cc(Br)ccc1O)C(F)(F)F 287063150 JNEJPBQEBZYGEI-SVSQBPIJSA-N 296.086 3.524 30 20 CHED C=CCCCCCCCCNC(=O)c1oc(CO)cc1C 292158740 CKOBYGPNHABMLM-UHFFFAOYSA-N 293.407 3.727 30 20 CHED N#CCCCC(=O)N1CCC[C@H]1c1ccccc1Cl 292329394 MWNTVIVSEMELOS-AWEZNQCLSA-N 276.767 3.697 30 20 CHED C=CCC[C@H](NCc1oc(CCC)nc1C)C1CC1 293665181 MFUSJRLXDYNDCZ-AWEZNQCLSA-N 262.397 3.770 30 20 CHED CCOc1ccc(C2=CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 293715995 FFNUANAALDWXHS-YJBOKZPZSA-N 296.414 3.867 30 20 CHED Cc1ccc([C@H]2[C@@H](C)CCCN2c2ccc(C#N)nn2)cc1 301970129 RAUBIFZFXWEHDA-KBXCAEBGSA-N 292.386 3.634 30 20 CHED C=C(C)COCCNc1cc(C)nc2c(F)c(F)ccc12 302766990 ZVIIANGZWNLHLW-UHFFFAOYSA-N 292.329 3.826 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCc1ccc(C#N)cc1F 308084467 DRBKFAJLVSXQQD-AWEZNQCLSA-N 290.382 3.776 30 20 CHED CCc1ccc(NC(=O)c2ccc(C#N)cc2)cc1C 312557107 JWEIUAHWYUWKDK-UHFFFAOYSA-N 264.328 3.681 30 20 CHED CC[C@@H]1CC[C@@H](C(O)=Nc2scnc2C2CC2)O1 328902766 GZLJMMRWJWDQCR-ZJUUUORDSA-N 266.366 3.566 30 20 CHED N#Cc1ccc(NC2CC2)c(N=C(O)[C@H]2C[C@H]2C2CC2)c1 329117938 UUSFETOHJPHFFO-KBPBESRZSA-N 281.359 3.767 30 20 CHED N#Cc1cccc(N=C(O)CCN2CCC[C@H](C3CC3)C2)c1 329676548 WFOYAWIOGRRFNV-INIZCTEOSA-N 297.402 3.658 30 20 CHED CO[C@]1(C)C[C@H](/N=C(/O)c2cncc3ccccc23)C1(C)C 329845533 XZVWJKUUGKKFMS-MAUKXSAKSA-N 298.386 3.743 30 20 CHED Cc1ccnc(-c2cccc(N=C(O)[C@H]3CC[C@H](C)O3)c2)n1 330076092 GRNFECKCJASYCY-SWLSCSKDSA-N 297.358 3.608 30 20 CHED CC(C)(C)C[C@H](/N=C(/O)c1csc(O)n1)C(F)(F)F 331013665 OCARJCKVJKNMSJ-ZETCQYMHSA-N 296.314 3.520 30 20 CHED Cc1cnc([C@H](C)Sc2nc3c(cc2C#N)CCCC3)o1 334832073 VKIZSIQXXOXBJZ-NSHDSACASA-N 299.399 3.982 30 20 CHED N#CCCNC(=O)c1sc2cc(Cl)ccc2c1Cl 335339613 JGIUPIPZIFCJLH-UHFFFAOYSA-N 299.182 3.852 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(C(F)F)CC1 336170680 WQFZSBDQOXMCMI-LLVKDONJSA-N 264.319 3.596 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(C(F)F)ccc1Cl 336190193 QDEUTFXKXRWCJS-UHLUBPPHSA-N 284.693 3.766 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(-c2cccs2)c1 336249557 RKMKNZVLAGHVNK-BDJLRTHQSA-N 282.368 3.903 30 20 CHED Cc1ccc(C)c(C[S@@](=O)Cc2ccccc2C#N)c1 339150450 BUUAHPXJSVVGTE-FQEVSTJZSA-N 283.396 3.624 30 20 CHED Cc1nc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cs1 340687555 UJMNKDHIZXIWLJ-NSHDSACASA-N 271.389 3.516 30 20 CHED C=CCC[C@H](NCCOC)c1ccc(C(F)(F)F)cc1 342188140 CPLITNKXVWIDEM-AWEZNQCLSA-N 287.325 3.949 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc2c1CCC2 342678511 WJZUDBOTHXAPLZ-UHFFFAOYSA-N 298.430 3.967 30 20 CHED C=CCN(Cc1ccc2c(c1)ncn2C)Cc1cccs1 342686007 XTGBLFYVOVBOFV-UHFFFAOYSA-N 297.427 3.823 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1cc(C#N)cc(C)n1 342937761 ITNOYURXCRSGDY-SJKOYZFVSA-N 299.349 3.589 30 20 CHED Cn1cc(CN2CCCC[C@H]2c2ccccc2)cc1C#N 343666849 YQMGMRCPUIVXSU-SFHVURJKSA-N 279.387 3.624 30 20 CHED Cc1cc(Sc2cccc(C#N)c2)nc(C2CC2)n1 343905932 HDKSPTXZPFOFQQ-UHFFFAOYSA-N 267.357 3.685 30 20 CHED CC(C)(CCC#N)CNC(=O)CCc1cc(Cl)cs1 345884684 AGYUFKOYSOQGJW-UHFFFAOYSA-N 298.839 3.780 30 20 CHED CC(C)CN(Cc1ccccc1)c1ccc(C#N)cn1 346440774 ZAYIHSKRHQYXTE-UHFFFAOYSA-N 265.360 3.616 30 20 CHED C[C@@H](C#N)C(=O)NCc1ccccc1Sc1ccccc1 347121269 ZAHXYIWOQRKJJS-ZDUSSCGKSA-N 296.395 3.614 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCc2ccccc21 347315338 OPHXQLHOEMYREW-CYBMUJFWSA-N 266.319 3.839 30 20 CHED C=CCN(C(=O)C1(c2ccc(C)c(OC)c2)CCC1)C1CC1 347914782 PBPZAZFBVYMIBI-UHFFFAOYSA-N 299.414 3.602 30 20 CHED C=CCOCCCN(C)[C@@H](C)c1c(F)cccc1F 347968465 KETIZJURDSTJIY-LBPRGKRZSA-N 269.335 3.550 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H](C)n1nc(C)cc1C 351389287 TXRZAIWSMNFAPL-INIZCTEOSA-N 291.439 3.656 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 351869126 QYVASICHEHMYME-LBPRGKRZSA-N 298.308 3.736 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2ccccn2)cc1 353052839 LOMOVSXAVBJCPC-KRWDZBQOSA-N 295.342 3.752 30 20 CHED C=CCCC1(C(=O)NCc2cnc3ccccc3c2)CC1 355110644 MKUHGUHORFNUHH-UHFFFAOYSA-N 280.371 3.597 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C#N)ccc1C1CC1 356419145 XTBZSEWENFHCOP-UHFFFAOYSA-N 256.349 3.751 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@H](CCC#N)c2ccccc2)C1 359398606 LOZIWXXGFYZIQX-HZPDHXFCSA-N 284.403 3.974 30 20 CHED N#Cc1cnc2ccccc2c1N1CCCC2(CCC2)C1 359723163 RHYQJKBDVKIVMD-UHFFFAOYSA-N 277.371 3.877 30 20 CHED Cc1ccnc(N[C@H]2CCCc3ccc(F)cc32)c1C#N 360103465 VPOVKKVXAWQKMX-INIZCTEOSA-N 281.334 3.890 30 20 CHED CC1(C)C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CCO1 360664952 SVYVIFOORHDERQ-SJLPKXTDSA-N 298.430 3.873 30 20 CHED CC[C@H](C)c1noc([C@H](C)c2cccc(C#N)c2)n1 361023736 YXINRISTHPSPTB-WDEREUQCSA-N 255.321 3.607 30 20 CHED C[C@H](Sc1ccc(C#N)cn1)c1ccccc1[N+](=O)[O-] 361448416 DLYNPAFWUGPFRK-JTQLQIEISA-N 285.328 3.715 30 20 CHED N#Cc1ccc(CNC(=O)N2CCCC23CCCCC3)cc1 362673173 AHKIDUSLFLNAIM-UHFFFAOYSA-N 297.402 3.567 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@H]1c1cccnc1 370089257 LUVZDZYCZSDRQI-HNNXBMFYSA-N 283.762 3.948 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(CC#Cc2ccc(F)cc2)C1 373579140 CAOKJEHKNOWOPU-DNVCBOLYSA-N 294.373 3.655 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(F)c(C(F)(F)F)c1 393823758 WKAPWSVUWCHGAQ-JTQLQIEISA-N 289.272 3.929 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1 410137042 MDPCOZMCNKUXQS-OAHLLOKOSA-N 297.402 3.574 30 20 CHED C=CCn1cccc1C(=O)NCC[C@@H](C)c1ccccc1 410214818 LTRSLXLOWMIJDO-OAHLLOKOSA-N 282.387 3.598 30 20 CHED C[C@@](Cc1ccccc1)(NCCC#N)c1ccccc1 412097066 OAKDDCQQLKKKIX-SFHVURJKSA-N 264.372 3.648 30 20 CHED Cc1cc(C)cc([C@H](C)Nc2ncc(C#N)cc2F)c1 413136135 NLYLVAXWMHEWGE-LBPRGKRZSA-N 269.323 3.882 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(C)on1 414297898 HUGGJDCGGWXJQE-ZBFHGGJFSA-N 270.376 3.821 30 20 CHED CSc1cccc(NC(=O)NCC2(C#N)CCC2)c1C 416975241 YSVWXGRBCUCRER-UHFFFAOYSA-N 289.404 3.532 30 20 CHED N#Cc1ccc(F)cc1CSCCC1CCOCC1 419480583 QFDQBZQDGXMLAC-UHFFFAOYSA-N 279.380 3.747 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OC)c2ncccc12 424597175 JYXZXLCXQJVGNY-UHFFFAOYSA-N 284.359 3.784 30 20 CHED Cc1ccccc1[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C(C)C 425447631 HBHGPIHXNWVRPI-ZMSDIMECSA-N 299.418 3.684 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](C)C(C)(C)C 425639312 PDBWLRRJJPTPPJ-OLZOCXBDSA-N 272.392 3.760 30 20 CHED C=CCN(Cc1cccs1)Cc1oc(CC)nc1C 428458760 JDIXVANCJSEWLC-UHFFFAOYSA-N 276.405 3.795 30 20 CHED CC1(C)C[C@H](NCC2(CC#N)CC2)c2cc([N+](=O)[O-])ccc21 430726885 WLTSNBUYIRQHJG-HNNXBMFYSA-N 299.374 3.601 30 20 CHED C=C(C)CS[C@H](C)c1cc(C(=O)OC)c(C)o1 431076958 AAVWHCPPZLVLHI-SNVBAGLBSA-N 254.351 3.745 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)CC1CCCCC1 432558251 OPHKOEXHVXUPJZ-UHFFFAOYSA-N 266.429 3.810 30 20 CHED N#Cc1cnc(N[C@H]2C[C@H](c3ccccc3)C2)c(Cl)c1 435603353 HTVQITQWBNIKLD-HDJSIYSDSA-N 283.762 3.965 30 20 CHED Cc1cc(CN(C)c2cc(C#N)ccc2[N+](=O)[O-])ccc1F 436430277 IKKSUOIFLOCJSN-UHFFFAOYSA-N 299.305 3.550 30 20 CHED CC[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 438506538 SWROAXRICHRFIR-ZDUSSCGKSA-N 297.320 3.669 30 20 CHED CC(C)c1ncc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cn1 440482206 OMIQKSQMAPEURX-AWEZNQCLSA-N 294.402 3.665 30 20 CHED CC(C)(C)OCCCCN1CCCC(C)(C)[C@@H]1C#N 444724055 BZXIGVXMNPAFNY-AWEZNQCLSA-N 266.429 3.596 30 20 CHED C=CC[C@@H]1N(Cc2noc(CCC)n2)CCCC1(C)C 444786809 PFEAPXNAQIWNBF-ZDUSSCGKSA-N 277.412 3.589 30 20 CHED C=CCCCCCSc1nc2ccsc2c(=O)n1C 447292225 LHUTVBFHFJFATC-UHFFFAOYSA-N 294.445 3.834 30 20 CHED CCSCc1ccccc1C(=O)N[C@](C)(C#N)C(C)C 447964520 MYMHWGWLUQTLEI-MRXNPFEDSA-N 290.432 3.608 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1cccc2ccccc12 448582916 QCYYVEYEZQNJJX-VBHSOAQHSA-N 278.355 3.567 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCN(c3ccccc3)C2)CC1 449078359 UNWJBLINWKAECP-LRYGQEGESA-N 297.446 3.575 30 20 CHED Cc1cccc(O[C@H](C)CNC2CCC(C)(C#N)CC2)c1 449155443 PUKXTMDPNYOWBE-KLHKWILBSA-N 286.419 3.824 30 20 CHED Cc1cnc([C@H](NC2CCC(C)(C#N)CC2)C2CC2)s1 449171344 TUMABYQHBWVUAZ-NPCAHTBFSA-N 289.448 3.965 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@H]2OCC[C@H]12 449181422 HHICZPINXYCSLA-ZJIFWQFVSA-N 251.414 3.669 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3c(F)cccc32)cc1 449352099 SJTSMKULOOHRSM-GOSISDBHSA-N 280.346 3.865 30 20 CHED Cc1ccc(F)c(CCNC2CCC(C)(C#N)CC2)c1 449552592 JVBJJAKVEVNIHJ-UHFFFAOYSA-N 274.383 3.739 30 20 CHED CC(C)c1nnc(CNc2cccc(Cl)c2C#N)s1 450373733 AUDODONCFPUAPI-UHFFFAOYSA-N 292.795 3.799 30 20 CHED Cc1cccc([C@@H](Nc2nccc(C#N)n2)C(C)(C)C)c1 450383152 YFKWSOZWPPJREP-OAHLLOKOSA-N 280.375 3.856 30 20 CHED CC(C)(C)C[C@@H]1CCN(CCCC2(C#N)CCOCC2)C1 452068660 CLBOCMKLCVFVEI-INIZCTEOSA-N 292.467 3.845 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1cccc(C2CC2)c1 452189654 UZFVOWMWDROBAK-AWEZNQCLSA-N 269.388 3.935 30 20 CHED C=C(C)CCNC(=O)c1cc(Cl)c(Cl)cc1OC 452715541 DGDJRGUAIDLGEQ-UHFFFAOYSA-N 288.174 3.698 30 20 CHED CC(C)COc1ccccc1-c1noc([C@]2(C#N)C[C@H]2C)n1 453082601 MDPXUGUGDMDIOB-PXAZEXFGSA-N 297.358 3.573 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cc(F)ccc1F 453353141 MQXZVFZMILLBKB-OAGGEKHMSA-N 281.346 3.739 30 20 CHED C=C(C)CNC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 454840062 QLCQHQOWZRLXSY-INIZCTEOSA-N 284.403 3.889 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cnn([C@H](C)C2CC2)c1 455204333 IBIRORYFGMAXOV-GFCCVEGCSA-N 290.411 3.578 30 20 CHED C=CCCOCCCCC(=O)N[C@@]1(C)CCCC[C@H]1C 457268747 SAOGSXZUAXHGDK-WBVHZDCISA-N 281.440 3.834 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)NCC(C)(C)CC#N 459260320 PKVRNXHZHWKCPJ-KBPBESRZSA-N 279.428 3.536 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)[C@H](C)c1cccc(C#N)c1 462054556 OEERBRHCKCHYAX-OEUWWYETSA-N 284.403 3.603 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncc(C#N)cc1Cl 462110219 SULHBEAEQGGHSN-SCDSUCTJSA-N 275.783 3.764 30 20 CHED CC[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 462126905 PMSMKDPLIYUCFE-LSDHHAIUSA-N 284.403 3.700 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)O[C@H]2CCC[C@@H](C)C2)CC1 463838811 VQFMFHOTDNUFMG-PVAVHDDUSA-N 293.451 3.785 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(OCCOC)cc1 467412468 IIFFZOHVUJMIDJ-GOEBONIOSA-N 277.408 3.717 30 20 CHED N#Cc1ccc(F)cc1CN1CCC[C@H]1Cc1ccccc1 469280656 VTWQQFQJKXUJKX-IBGZPJMESA-N 294.373 3.904 30 20 CHED CC(C)(C#N)CC(=O)NC1(c2ccccc2)CCCC1 469436844 QSEKWEYNCARJHX-UHFFFAOYSA-N 270.376 3.512 30 20 CHED C=C[C@](C)(CC)C(=O)NCCC1CC(OC(C)(C)C)C1 469986254 WKFBJYCDKFUBHU-MQBCKMQZSA-N 281.440 3.689 30 20 CHED CCC[C@H](Cc1ccccc1)N[C@H]1CC[C@H](C#N)C1 471597202 DCXJDYKSLHHGRR-BBWFWOEESA-N 256.393 3.680 30 20 CHED N#Cc1ccc(=N[C@@H]2CCCC[C@H]2Cc2ccccc2)[nH]c1 476497827 WWSKIAYEYJFMQD-ZWKOTPCHSA-N 291.398 3.589 30 20 CHED N#Cc1c(COc2cccc3ncccc23)cn2ccccc12 476831004 ZPICMSBNCJTRCR-UHFFFAOYSA-N 299.333 3.938 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNCc1cc(C#N)cs1 481823870 LCTZVFCBQJDWMR-DYEKYZERSA-N 262.422 3.782 30 20 CHED CCCN(CCCN1CCCCC1)Cc1ccc(C#N)cc1 482706563 LBCZNBBPXWKUSU-UHFFFAOYSA-N 299.462 3.646 30 20 CHED C=C(C)CN(C)C(=O)NCCCCC1CCCC1 487099786 NGMCCFYFTOLQOS-UHFFFAOYSA-N 252.402 3.564 30 20 CHED COc1cccc(CSc2ccc(C#N)c(C)n2)c1 488089497 OSKLAUKRDZVHQD-UHFFFAOYSA-N 270.357 3.563 30 20 CHED COc1ccccc1C(C)(C)NCc1ccc(C#N)c(C)c1 488194437 AXMGOEOITOSRCY-UHFFFAOYSA-N 294.398 3.900 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CC12CCCCC2 490270703 GTSOEDJKIVGOHP-INIZCTEOSA-N 287.403 3.807 30 20 CHED CCCC[C@@H](CC)CC(=O)N(C)CC(C)(C)C#N 497325831 JOKMESWGSTWWRA-CYBMUJFWSA-N 252.402 3.601 30 20 CHED CC#CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 498605748 USZGPVYCOSIMGZ-CHWSQXEVSA-N 296.197 3.627 30 20 CHED CC(C)(C)CCCNC1(c2cccc(C#N)c2)CC1 499609936 ZMZPIULBWIOURC-UHFFFAOYSA-N 256.393 3.963 30 20 CHED COc1cc(C#N)ccc1CN(C)CC1CCCCC1 501267467 YFACLKQUEDPVJM-UHFFFAOYSA-N 272.392 3.579 30 20 CHED CC1(C)CCC(CC(=O)N(CC#N)C2CCCC2)CC1 505833964 VRQCXUHAKRLTCX-UHFFFAOYSA-N 276.424 3.888 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCCC(F)(F)C1 507880639 QIWWTEVVOJXDGH-STQMWFEESA-N 286.366 3.562 30 20 CHED C=C(C)CCc1noc(Cc2c(F)cccc2Cl)n1 508643179 DVPHQIVCYTYZHR-UHFFFAOYSA-N 280.730 3.962 30 20 CHED CCCCCOc1ccc(CN(C)C[C@@H](C)C#N)cc1 509801367 BNKIWZVFSHGMCU-HNNXBMFYSA-N 274.408 3.847 30 20 CHED C=CC[C@H](CO)CNCC(c1ccccc1)c1ccccc1 511911404 PBJVJLWNMLPAKP-KRWDZBQOSA-N 295.426 3.593 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC/C=C/c1ccc(F)c(F)c1 512355268 UPMUWUQXXQCELR-FHPLJQIUSA-N 293.357 3.549 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 513182162 FIQZLQRYYPHLDE-NSHDSACASA-N 299.305 3.821 30 20 CHED C/C=C\c1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 516646259 AIJJFMUZOAGCRJ-ZOBWKPMTSA-N 269.348 3.533 30 20 CHED C[C@H](CC#N)N(C)c1cc(SCc2ccccc2)ncn1 519545663 HGYMFGZHBVTRQK-CYBMUJFWSA-N 298.415 3.507 30 20 CHED Cc1ccc(OCCNc2ccc(C#N)cc2)c(C)c1 521402625 YTJFSQXZRHIKGP-UHFFFAOYSA-N 266.344 3.666 30 20 CHED C=CCCCSCC(=O)Nc1cc(C(C)(C)C)no1 522755702 WFFHTBNCGBBWER-UHFFFAOYSA-N 282.409 3.610 30 20 CHED N#Cc1cccc(N2CCC(OCC3CCCCC3)CC2)n1 525191902 WEMKJUUAXZRYDB-UHFFFAOYSA-N 299.418 3.519 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)Cc2ccsc2)CC1 527235860 ILVCOPXQWGBSLJ-LBPRGKRZSA-N 263.406 3.542 30 20 CHED CCC(C#N)(CC)c1nc(Cc2cc(F)cc(F)c2)no1 528100427 ZEXXLZPISJMICL-UHFFFAOYSA-N 291.301 3.520 30 20 CHED COCc1ccc(NCCCOc2ccccc2)cc1C#N 530120761 WWZBSHUOMZNSMY-UHFFFAOYSA-N 296.370 3.586 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NC2(C3CC3)CC2)cc1 532132866 AUQCRNFMLJRIHM-UHFFFAOYSA-N 283.375 3.552 30 20 CHED C=C(C)CN(CC)c1nnc(-c2ccccc2)s1 532883480 AQASEADZDNDTQE-UHFFFAOYSA-N 259.378 3.608 30 20 CHED CCCN(c1cccc(C#N)n1)[C@H](C)c1ccccc1OC 534395603 WHROJPQZEUDIRP-CQSZACIVSA-N 295.386 3.939 30 20 CHED CCc1ccc(CN(C)Cc2cccc(C#N)c2F)cc1 538097589 LJJHBLPRPXYOOU-UHFFFAOYSA-N 282.362 3.892 30 20 CHED C=CC[C@H](C)NC(=O)c1cccn1[C@H](C)Cc1ccccc1 539118909 JXRLBDTTYMCSEO-JKSUJKDBSA-N 296.414 3.986 30 20 CHED C=CCN[C@@H](c1ccc(OCC)c(OCC)c1)C(C)C 539241842 PIRPKDQJRPPDDY-QGZVFWFLSA-N 277.408 3.957 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1[N+](=O)[O-] 540604874 BBIIOWWGLGMDAO-OLZOCXBDSA-N 295.342 3.878 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)c1c(C)cccc1C)OCC 545454957 BBCLETSERDWSNG-HZPDHXFCSA-N 289.419 3.852 30 20 CHED COc1ccc([C@H](C)CCNc2ccnc(C#N)c2)cc1 553416430 KQRXLWZHKAIQDK-CYBMUJFWSA-N 281.359 3.568 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](c1ccccc1)C1CC1 554126128 YZVBZFGEFVMIHL-INIZCTEOSA-N 271.404 3.899 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](CCC)CC1CCCC1 557384587 YSQUIORXNNSLQO-MRXNPFEDSA-N 276.424 3.911 30 20 CHED CCO[C@H]1C[C@H](NCc2ccccc2C#N)C12CCCCC2 559326834 CSDQAUFHALKNNI-ROUUACIJSA-N 298.430 3.776 30 20 CHED C=CC[C@@H](C)[C@H](C)NC1(c2cccc(OC)c2)CC1 560570293 AEOFOBUNDFEJKN-KGLIPLIRSA-N 259.393 3.875 30 20 CHED CCC1(CNC(=O)c2cc(C#N)ccc2Cl)CCCC1 560593550 MDQFNRXDQGIUFV-UHFFFAOYSA-N 290.794 3.912 30 20 CHED CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccc(C#N)cc1 562569532 ZPLACYUGSVUGEU-UHOFOFEASA-N 280.375 3.501 30 20 CHED Cc1csc(NC(=O)NC2CCCCCC2)c1C#N 562933292 FBLSDYIXXROVBM-UHFFFAOYSA-N 277.393 3.773 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCC1C[C@H](C)O[C@@H](C)C1 563275299 AUDLJOJBUZAQQF-KKUMJFAQSA-N 296.455 3.624 30 20 CHED Cc1csc(NC(=O)N2CCC[C@@H](C(C)C)C2)c1C#N 565165905 YLONKOZVKVXFQP-GFCCVEGCSA-N 291.420 3.828 30 20 CHED CC(C)c1ccc(CNC(=O)[C@]2(C#N)CC23CCCC3)cc1 565931544 QOJAYSXYFKZHPC-LJQANCHMSA-N 296.414 3.900 30 20 CHED CC(C)(C)CCCCC(=O)NCc1ccc(C#N)cc1 569732634 FUYWPWPEQBWIDK-UHFFFAOYSA-N 272.392 3.781 30 20 CHED C=CC(C)(C)CNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 571018577 YEXYUQKGLGIJIG-QJRTVWDNSA-N 279.399 3.623 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2cccc(C)c2)no1 571202847 QPECKKXWQBRCGD-INIZCTEOSA-N 256.349 3.823 30 20 CHED CC(C)(C)[C@H](Nc1cc(C#N)ncn1)c1ccccc1 577044541 QWHKZGQPHPBDDZ-OAHLLOKOSA-N 266.348 3.548 30 20 CHED C=CCCC1(c2nc(Cc3cccc(F)c3)no2)CC1 581632494 WIGSYMQJTWIPCL-UHFFFAOYSA-N 272.323 3.797 30 20 CHED C[C@@H](c1ccc2ccccc2c1)N1CC(C)(C#N)C1 584662544 BSHHMNSVQXRSSP-ZDUSSCGKSA-N 250.345 3.746 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 586806907 QYKUGPURXPEIKK-KYHPRHEASA-N 288.435 3.745 30 20 CHED Cc1ccc(C#N)c(Nc2ccc3c(cnn3C(F)F)c2)n1 588004578 VNSGZBOPDGSPGD-UHFFFAOYSA-N 299.284 3.750 30 20 CHED CC1(C#N)CCN(Cc2cc3cc(Cl)cnc3o2)CC1 590648933 FNVDLOIRXGHUSZ-UHFFFAOYSA-N 289.766 3.607 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)N2CC=CCC2)cc1C#N 590845654 CLFQZMLVJARDLB-UHFFFAOYSA-N 299.374 3.529 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 593407431 GJXVPQFYEBTSOD-BLLLJJGKSA-N 288.366 3.723 30 20 CHED CC[C@H](C#N)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 593498948 VIWMJEZVBZXSPW-HLLBOEOZSA-N 284.403 3.578 30 20 CHED COC[C@H](CC(C)(C)C)N[C@H]1CCc2cc(C#N)ccc21 593621820 SZBCTYFDLMTQEP-RDJZCZTQSA-N 286.419 3.586 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1sc2ccc(F)cc2c1C 594088822 PDWWKLJCWCEFGK-LLVKDONJSA-N 290.363 3.723 30 20 CHED CC[C@@H](CC(=O)N(C)[C@@H](C#N)CC)c1ccc(C)cc1 594089182 NTEDAJZKSVQRIT-GOEBONIOSA-N 272.392 3.639 30 20 CHED N#CCC1(CSc2nnc(-c3cccs3)o2)CC1 594882406 UVVCBVQZPHGYAZ-UHFFFAOYSA-N 277.374 3.584 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC[C@H](c2ccncc2)C1 595486652 BOCFVYCHIMUCPZ-ROUUACIJSA-N 277.371 3.526 30 20 CHED CCc1nc(C#N)cc(N[C@@H](c2ccccc2)C(C)C)n1 596064641 ZEGRMJHAWNTVOW-QGZVFWFLSA-N 280.375 3.720 30 20 CHED Cc1ccc(C#N)nc1N1CCC[C@@H]1c1ccsc1 596076847 QLGJWFBUOSGDNI-CQSZACIVSA-N 269.373 3.665 30 20 CHED CC1(C)CN(c2nc3ncccc3cc2C#N)[C@@H]2CCC[C@H]21 596247022 KQIGEFZPCUNOJL-HUUCEWRRSA-N 292.386 3.516 30 20 CHED CC[C@H](Cc1ccc(F)cc1)Nc1cc(C#N)ccn1 596317560 NCOBTLDNUIJJOH-OAHLLOKOSA-N 269.323 3.526 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C[C@H](O)CC(C)(C)C#N 598586871 JOEQRELWGGNYCK-NVXWUHKLSA-N 288.435 3.588 30 20 CHED Cc1c(C#N)cccc1N[C@@H](C)c1cccc(C#N)c1 600852574 VSLKIEAUZNGJET-ZDUSSCGKSA-N 261.328 3.911 30 20 CHED CC(C)(C#N)CCN1CCC2(CCSCC2)CC1 602948585 AXICMMCEACKIAU-UHFFFAOYSA-N 266.454 3.535 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 603869284 GPRYEDNMZUDJFU-CYBMUJFWSA-N 295.342 3.818 30 20 CHED COc1cccc(C=NNc2ccc(Cl)cc2)c1 606346816 BKRXCFLVOMVQIX-UHFFFAOYSA-N 260.724 3.795 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1C#N 609092640 GEOHJZNGYBUJRG-QWHCGFSZSA-N 256.349 3.713 30 20 CHED CC(C)[C@H](CC(=O)N(CCC#N)C(C)C)c1ccccc1 609129353 QUBPDWNVPVSAQH-KRWDZBQOSA-N 286.419 3.967 30 20 CHED Cn1c(C(=O)N(CCC#N)CC(C)(C)C)cc2ccccc21 609191989 WALNXXJCUVGXPR-UHFFFAOYSA-N 297.402 3.580 30 20 CHED C=CCCCSCC(=O)N(CC(C)C)CC(C)C 609804919 UZZLLGRMOHCULD-UHFFFAOYSA-N 271.470 3.826 30 20 CHED CC(C)Oc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cn1 610341106 ZQCZKXYUXAYIET-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED CC[C@@]1(C)CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 610407164 RAMOZPQPEZHONV-KSSFIOAISA-N 299.418 3.841 30 20 CHED Cc1nnc([C@@H](C)Sc2ccc(Cl)cc2C#N)o1 610654930 IXMNPSIXBNMCAI-SSDOTTSWSA-N 279.752 3.756 30 20 CHED C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)c1ccco1 610976349 SMOBLXGYKYUPKA-ZFWWWQNUSA-N 282.343 3.544 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 611184104 FZKHRQJAXNOUST-CHWSQXEVSA-N 272.392 3.808 30 20 CHED N#Cc1csc(CN2CCC[C@H]2c2ccc(O)cc2)c1 611265376 BMAOKZZMEWQYCZ-INIZCTEOSA-N 284.384 3.662 30 20 CHED Cc1ccc(CCCCC(=O)N2CCC[C@](C)(C#N)C2)cc1 612235256 CWXMCWKCIODNLR-LJQANCHMSA-N 298.430 3.860 30 20 CHED CCC(C)(CC)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 613402088 PRICEGQBYSKGJM-ZDUSSCGKSA-N 278.783 3.847 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCc3ccc(OC)cc32)C1 617780524 WQQKNDGEKBMCHK-YOEHRIQHSA-N 299.414 3.540 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N=c1cc[nH]c2ccsc12 618694041 WTYACCPKWFLZBI-CQSZACIVSA-N 291.379 3.689 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCSc2ccc(F)cc21 618887932 JDQOKOJQAZYHQZ-SMDDNHRTSA-N 278.396 3.892 30 20 CHED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCO2)CC1 619167418 HXCGWLQGVKQHLL-QGZVFWFLSA-N 291.435 3.563 30 20 CHED C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1cccs1 619582716 VDXBBEXCQBAGJA-HIFRSBDPSA-N 298.411 3.698 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@]12CCc1ccccc12 620859093 WMQLKHMBOZZHMI-APWZRJJASA-N 283.415 3.752 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C(C)(C)C 622944089 DGVJXIJFMLLSTB-JSGCOSHPSA-N 293.357 3.881 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc(Cl)c(F)c1 623990301 ZQRZFJZCTPIXNY-UHFFFAOYSA-N 283.774 3.836 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 628155779 MPJZGSIIZPKZSV-JKSUJKDBSA-N 271.404 3.960 30 20 CHED C=CCCNC(=O)Nc1ccc2nc(CC)sc2c1 667283971 HWKBDQFBHVEKFU-UHFFFAOYSA-N 275.377 3.556 30 20 CHED CC#CCCNC(=O)Nc1ccc(Cl)cc1SC 667379595 QJYIIZSWNAZTIH-UHFFFAOYSA-N 282.796 3.597 30 20 CHED C=C(CNC(=O)c1ccc(Cl)s1)c1ccccc1 672482709 SJHZOPPXTMLKCR-UHFFFAOYSA-N 277.776 3.845 30 20 CHED C=CCCc1ccccc1NS(=O)(=O)CCC(C)(C)C 685902028 KOFHYPONBDYBEN-UHFFFAOYSA-N 295.448 3.983 30 20 CHED C#CCCCCC(=O)N[C@H]1CCCCC12CCCC2 692876795 RPXIJSYCNNITBE-HNNXBMFYSA-N 261.409 3.799 30 20 CHED CC[C@H](C)CCN[C@@H](C)c1ccc(OCC#N)cc1 696211446 SXVMUKAEAZOTHS-KBPBESRZSA-N 260.381 3.676 30 20 CHED CCCCCCCCN1C[C@@H]2CCC[C@]2(C(=O)O)C1 701476398 HPHQAVJPMWBIHC-HOCLYGCPSA-N 267.413 3.534 30 20 CHED C#CCCCOC(=O)c1occc1-c1ccccc1 727041511 MSADJQABCUSWEY-UHFFFAOYSA-N 254.285 3.517 30 20 CHED Cc1cc(Br)ccc1NN=Cc1ccccn1 728432989 MEWWLGQWUFXCFU-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C#Cc1cccc(N(C)C(=S)N[C@@H]2CCCC[C@H]2C)c1 728447854 CCEDTGRBNMBETN-CZUORRHYSA-N 286.444 3.557 30 20 CHED C=CC[C@H](C)C(C)=NNCCCOc1ccccc1 729148667 BYUFBFDXFUQCRR-AWEZNQCLSA-N 260.381 3.633 30 20 CHED C=C1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 729256826 YNARTPRPEZWEGP-UHFFFAOYSA-N 275.348 3.833 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C=C(C1CC1)C1CC1 729433151 NGDTZAKTDHTLBK-UHFFFAOYSA-N 288.435 3.911 30 20 CHED C=CCCC(=O)OCc1cc(F)ccc1Br 729710207 AKDJZOZUPSFUIM-UHFFFAOYSA-N 287.128 3.598 30 20 CHED COc1cccc(/C=N/[C@H]2CCc3ccc(F)cc32)c1O 730146858 HMEDWWRCGYLOKB-RPJLVFAOSA-N 285.318 3.646 30 20 CHED C#CCOc1cccc(OCCCOc2ccccc2)c1 730439728 YCDXBWPPCVLGAD-UHFFFAOYSA-N 282.339 3.547 30 20 CHED Fc1ccc(NN=Cc2cccc(F)c2F)c(F)c1 730722638 RZFTVXZIDYZZDD-UHFFFAOYSA-N 268.213 3.689 30 20 CHED Cc1sc(NC(=O)c2ncoc2C(C)C)c(C#N)c1C 731901411 CWUADIDFFYKQPS-UHFFFAOYSA-N 289.360 3.600 30 20 CHED Oc1cccc(/C=N\[C@@H]2CCC[C@H]2Cc2ccccc2)c1O 737440850 SJQRDJJTFCLTOA-BCWQGJICSA-N 295.382 3.928 30 20 CHED CCCCCCCCC(=O)N1CCSC[C@@H]1C 737713038 UJYGEUGTQAOEGZ-ZDUSSCGKSA-N 257.443 3.701 30 20 CHED CCCC(CCC)=NNc1cc(Cl)nc(C)n1 741764081 SHEJTJYDXMRJLF-UHFFFAOYSA-N 254.765 3.807 30 20 CHED C#CCCCNCc1ccc(-c2ccccc2F)o1 742385147 VGBGLSGVZGWZAT-UHFFFAOYSA-N 257.308 3.589 30 20 CHED Cc1ccc(C)c(NN=C2[C@H]3CCCO[C@@H]3C2(C)C)c1 743430972 OLPAQCFRKSRJJT-CJNGLKHVSA-N 272.392 3.906 30 20 CHED CC1(C)C(=NNc2cc(F)cc(F)c2)[C@@H]2CCCO[C@@H]21 743437204 DJOSWQSTGOLGRV-JSGCOSHPSA-N 280.318 3.568 30 20 CHED COc1cccc(F)c1C(C)=NNc1ccc(Cl)nc1 743452235 SJYCXYSEORAKDE-UHFFFAOYSA-N 293.729 3.719 30 20 CHED COc1ccc(C)cc1C=NNc1ccc2ccccc2n1 744597140 PCLVTQVGVFCDEM-UHFFFAOYSA-N 291.354 3.998 30 20 CHED C=CCCOC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 745742692 MOLNPMQTYNOVHC-GFCCVEGCSA-N 289.158 3.536 30 20 CHED C#CCCCNC(=O)NC(C)(C)c1ccc(C(C)C)cc1 745804226 FJTRAPWLEOTCEO-UHFFFAOYSA-N 286.419 3.758 30 20 CHED CCN(Cc1cccc(C#N)c1)c1ccc(OC)cc1 746108766 BGVKRDNSCHDYLE-UHFFFAOYSA-N 266.344 3.593 30 20 CHED Fc1cc(NN=C[C@@H]2CC=CCC2)cc(F)c1F 747642740 UNRNCEHRNUZFIT-SECBINFHSA-N 254.255 3.858 30 20 CHED Cc1ncc(CO)c(C=Nc2ccc(C(C)(C)C)cc2)c1O 747707279 FSUQICBJIYZSLO-UHFFFAOYSA-N 298.386 3.636 30 20 CHED N#Cc1ccc(C(=O)OCc2cc3ccccc3o2)s1 749316775 CWDGJVSGZQBTEH-UHFFFAOYSA-N 283.308 3.723 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)c1ccccc1C1CC1 751132622 FVYYRFSTFUJKAZ-UHFFFAOYSA-N 287.366 3.980 30 20 CHED COCCOc1ccccc1C=NNc1cc(C)cc(C)c1 751520343 IKQKLIKWJGOXCU-UHFFFAOYSA-N 298.386 3.775 30 20 CHED Cc1ccccc1CCCOC(=O)C1(C#N)CCCCC1 753449255 GRDPZOHSTWEIBO-UHFFFAOYSA-N 285.387 3.945 30 20 CHED C#CCN[C@@H](c1ccccc1)c1cccc(Cl)c1 754298068 IVEANEOBLLLIKU-INIZCTEOSA-N 255.748 3.652 30 20 CHED C#Cc1cccc(N[C@H]2CCc3c(cccc3OC)C2)c1 756095990 CLHIKDFHNQFPIL-KRWDZBQOSA-N 277.367 3.646 30 20 CHED CCCCCCCC(=O)N(C)c1ccc2c(c1)OCO2 756293432 GVVRPDNKHMQYRU-UHFFFAOYSA-N 277.364 3.739 30 20 CHED C=CCC[C@@H](C)NCc1ccc(N2CCCC2)cc1 756402613 MDZNINLDIBGVEA-OAHLLOKOSA-N 258.409 3.731 30 20 CHED Cc1cc(C(=O)OCCCCC#N)ccc1Br 757458051 OHTSEURBUKMWDA-UHFFFAOYSA-N 296.164 3.608 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1cc(F)ccc1O 757468302 QCDOTNNDTLZHQD-DAXSKMNVSA-N 293.297 3.976 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)c1ccsc1)c1ccccc1 757577358 GTTRJNMROGKEAE-CJNGLKHVSA-N 283.396 3.732 30 20 CHED CC[C@H]1CCCC1=NNc1nc2ccccc2n1C 758373506 YFDCMLAKMPCYDR-NSHDSACASA-N 256.353 3.551 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccccc1Br 758374699 VMYQLVDTNUBXME-RKDXNWHRSA-N 253.143 3.503 30 20 CHED CC(=NOCC(F)F)c1ccc(Cl)cc1Cl 758904165 NHZKNZKPYAYKPT-UHFFFAOYSA-N 268.090 3.999 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2nc(Cl)cs2)c1 759082168 CNOKSEAFACJZGJ-PLNGDYQASA-N 279.748 3.707 30 20 CHED COc1ccc2c(c1)CCCN2Cc1cc(F)ccc1C#N 759331215 BUVDQIJYLAIUDT-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C[C@@H]1CC(=NNc2cnn(C)c2)C[C@@H](c2ccccc2)C1 761868085 VXDNJVVOUOQFOD-ZFWWWQNUSA-N 282.391 3.792 30 20 CHED C[C@@H](OC(=O)CC1CCSCC1)c1cccc(C#N)c1 762076937 UWJABVYODQSPRJ-GFCCVEGCSA-N 289.400 3.696 30 20 CHED C/C=C(/C=C\C(=O)N[C@@](C)(C#N)C1CCCCC1)CC 765554371 RTIUHKYFYVEKHD-VUJJQOGESA-N 274.408 3.878 30 20 CHED Cc1sc2ncnc(NN=C3CC(C(F)F)C3)c2c1C 766008617 UVNFLFSOXUOTFK-UHFFFAOYSA-N 296.346 3.751 30 20 CHED C#CCCCSc1nc(C)c(C)n1CCCC 766293281 FJZFAYKJNQPEGH-UHFFFAOYSA-N 250.411 3.806 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2c(C)cc(C)cc2C)c1 766500809 CKVUEZZYNPFYDM-WAYWQWQTSA-N 298.338 3.888 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2ccccc2Cl)c1 766503376 WWLKGZCKRYWIQA-VOTSOKGWSA-N 290.702 3.616 30 20 CHED CC(=NNc1ccc(F)cc1F)c1occc1C 767742444 AMZMQMSBTKUKSJ-UHFFFAOYSA-N 250.248 3.702 30 20 CHED CCCn1c(CN(CCC#N)CC(C)C)nc2ccccc21 768153232 BGVNYKUMJTXANB-UHFFFAOYSA-N 298.434 3.818 30 20 CHED CCc1cccc(C(=O)OCCCCC(C)(C)C#N)c1N 768675165 YQZYKJYXMFODKA-UHFFFAOYSA-N 288.391 3.708 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H](F)c1ccccc1 769450040 HZGLTGGNPUWRNK-OAHLLOKOSA-N 299.349 3.764 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1ncc(C#N)cc1Cl 769474741 PGHFZNFXKHOLQG-LLVKDONJSA-N 293.798 3.695 30 20 CHED COc1cccc(F)c1C(=O)O[C@@H](C)c1ccc(C#N)cc1 769697252 CSZIQRJIDYEUFR-NSHDSACASA-N 299.301 3.624 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2ccco2)cc1 769771107 LRLXTTCNWMKGJP-YFHOEESVSA-N 256.301 3.965 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccccc1[N+](=O)[O-] 769827557 DOSKDLWQOLAQKJ-UHFFFAOYSA-N 287.294 3.878 30 20 CHED CCCCCCCC(=O)O[C@@H](C)c1ncc(C)o1 770958418 YLQSDSIFCCZTJC-LBPRGKRZSA-N 253.342 3.948 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=Nn1c(C)nc2ccccc2c1=O 773186742 JTHSUUPAIRLJIF-BBRMVZONSA-N 295.386 3.531 30 20 CHED C=C(CC)COC(=O)CSc1nc2ccccc2s1 773477905 WJHLRFFMKZRRAO-UHFFFAOYSA-N 293.413 3.898 30 20 CHED O=C(/C=C\c1c(F)cccc1Cl)c1cc(O)ccc1O 776189244 CKCNNVDGCIVWPF-ALCCZGGFSA-N 292.693 3.786 30 20 CHED O=C1/C(=C/c2ccc(O)c(F)c2)CCc2ccc(F)cc21 776191294 CQKCXYMBLZPKSA-KPKJPENVSA-N 286.277 3.883 30 20 CHED Cc1cccc(C(=O)O[C@H](C#N)C2CCCCC2)c1 776362079 YPPDUJUCNNYPGW-OAHLLOKOSA-N 257.333 3.624 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)c(F)c1 776728113 CVVBWUODWJORAH-WAYWQWQTSA-N 294.260 3.604 30 20 CHED N#CCc1ccccc1CC(=O)OCCCCC(F)(F)F 777166504 DJFRQXMIGOKXGJ-UHFFFAOYSA-N 299.292 3.571 30 20 CHED CCOc1ccccc1C=NOCc1ccc2c(c1)COC2 778019972 QIPGBHDUFDKBDW-UHFFFAOYSA-N 297.354 3.666 30 20 CHED Fc1cc(F)c2c(c1)C(=NNc1ccc3[nH]ncc3c1)CC2 779812643 VZRGTXBIFKXCDZ-UHFFFAOYSA-N 298.296 3.604 30 20 CHED C#CCCCCCC(=O)N(CC=C)CCc1ccccc1 779878883 GFLXDYXSOWYQQW-UHFFFAOYSA-N 283.415 3.827 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCC(C)(C)C[C@H]1C 779927327 YZSRPVGMACDTRK-CABCVRRESA-N 263.425 3.901 30 20 CHED N#CC1(COC(=O)c2cc3ccccc3o2)CCCC1 780529353 GHGYMFNTRURKQV-UHFFFAOYSA-N 269.300 3.674 30 20 CHED O=C(O)c1csc(/C=C/C(=O)c2cccc(F)c2F)c1 782208304 VXACMYMKEPFMKO-SNAWJCMRSA-N 294.278 3.621 30 20 CHED C#CCCCCCC(=O)OCc1cc(F)ccc1C 782302871 PROIOHATYKHRBM-UHFFFAOYSA-N 262.324 3.761 30 20 CHED CCOCOc1ccc(CNc2cc(C#N)ccc2C)cc1 783587136 GKJCJITUKZJSNM-UHFFFAOYSA-N 296.370 3.852 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2nc(O)c3ccccc3n2)C1 783854814 CJDCAWCXIRUWRV-QWHCGFSZSA-N 298.390 3.950 30 20 CHED Cc1cc(COC(=O)c2cc(Cl)cs2)ccc1C#N 784970638 OIHZUSJYHGLGDI-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C=CCCN(C)C(=O)/C=C/c1ccccc1OC(F)(F)F 786223751 RUUDURDRMPQKIR-MDZDMXLPSA-N 299.292 3.633 30 20 CHED FC(F)(F)c1nc(Cl)ccc1CON=C1CCC1 786740999 IIXKZIVZTJEMAS-UHFFFAOYSA-N 278.661 3.810 30 20 CHED C/C(C=NO[C@H]1CCCCO1)=C\c1cccc([N+](=O)[O-])c1 787163480 RNGARKCMMNSESW-WZIBRPIFSA-N 290.319 3.527 30 20 CHED CCOc1cccc(C(C)=NNc2ncccc2C)c1 790191027 PGHKUPYMBFLTOR-UHFFFAOYSA-N 269.348 3.625 30 20 CHED CC[C@@H](C)NN=C(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C 790191496 ZEWHPBHHJSLAOZ-OCCSQVGLSA-N 297.443 3.540 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2ncccc2C)cc1 790191731 XJRDHTQKUQUDMY-CYBMUJFWSA-N 283.375 3.990 30 20 CHED CC[C@@H](C)CON=Cc1coc(-c2ccccc2)n1 793157792 CYJWUSPQRAGMCH-GFCCVEGCSA-N 258.321 3.738 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC[C@H]2c2ccccn2)cc1 794857362 YNFMVQUNRVIYMP-AWEZNQCLSA-N 296.330 3.725 30 20 CHED C[C@@H]1CSCC1=NNc1ncnc2c1oc1ccccc12 794887116 RSEHMHLCLJCLMB-SECBINFHSA-N 298.371 3.527 30 20 CHED Fc1cccc(NN=Cc2cccc(-c3cccnc3)c2)n1 795007174 SSSVPSBWXDKNNL-UHFFFAOYSA-N 292.317 3.729 30 20 CHED CCCCC[C@@H](C)NC(=O)c1cc(C#N)ccc1Cl 795035524 FFUUJFFROQMHGC-LLVKDONJSA-N 278.783 3.910 30 20 CHED CCCCCCCCC(=O)OC[C@@H]1CCC[C@H](O)C1 795332310 HJEXMTUUCJZCMA-CABCVRRESA-N 270.413 3.831 30 20 CHED Cc1ccccc1OC(=O)C(C)(C)c1cc(F)cc(C#N)c1 796762609 IUBRRVYICYMXHP-UHFFFAOYSA-N 297.329 3.889 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1ccc(F)cc1F 796893789 RCOZSEVQEJBDMC-YMTOWFKASA-N 267.275 3.509 30 20 CHED N#CC1(COC(=O)c2cnc3c(F)cccc3c2)CCCC1 797050541 ZWYMNHBVRFQCCB-UHFFFAOYSA-N 298.317 3.615 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H](F)c1ccccc1 797173590 XSDOHJUEGJXAPK-INIZCTEOSA-N 297.333 3.639 30 20 CHED CC(C)CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797569829 XUMLHBWGJPWXKH-SNVBAGLBSA-N 264.394 3.663 30 20 CHED C=C(Cl)CNCc1ccc(N(C)c2ccccc2)nc1 797873887 YGZLPJPSDSQDFN-UHFFFAOYSA-N 287.794 3.692 30 20 CHED COc1ccccc1CON=Cc1cc(Cl)ccc1O 799117760 OIBIRGINSDPSNR-UHFFFAOYSA-N 291.734 3.605 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2c(C)cc(C)cc2O)c1C 799896749 YKDQXHJFEVVUQW-BQYQJAHWSA-N 298.386 3.738 30 20 CHED C[C@@H](C#N)OCCN1C[C@@H](C(C)(C)C)c2ccccc21 801950522 LREYPYXTYIUEDD-DZGCQCFKSA-N 272.392 3.565 30 20 CHED C[C@@H](CNc1ccc(F)cc1OCC#N)C(C)(C)C 802646352 JGDPQBOCUMXBJD-NSHDSACASA-N 264.344 3.822 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 803750902 OSQCLIUBGSSDNZ-NUEKZKHPSA-N 278.392 3.671 30 20 CHED C=CCCCCCCNC(=O)c1cnn(C(C)(C)C)c1C 805218693 KBNJALGHIBRMBE-UHFFFAOYSA-N 291.439 3.813 30 20 CHED C=CCCCCCCCCN[C@@H]1CCOC[C@H]1C 806175790 FMQBZDAJVUIDTD-HZPDHXFCSA-N 253.430 3.918 30 20 CHED C[C@H](NN=Cc1ccc(C(C)(C)O)cc1)c1ccccc1 807967092 WPKKENNUKMLABB-AWEZNQCLSA-N 282.387 3.599 30 20 CHED C[C@H]1/C(=C\c2ccc(O)cc2)C(=O)c2ccccc21 809159246 LQISQVOAEPHMLC-HPUUJOOBSA-N 250.297 3.776 30 20 CHED C#CCCc1noc(-c2cc3cc(C)ccc3s2)n1 810290535 VFAAOTVEYCWADG-UHFFFAOYSA-N 268.341 3.826 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(Cl)cc1 810544802 GTIFCNGWPIGTOH-UHFFFAOYSA-N 269.731 3.503 30 20 CHED Cc1cccc2c(CCC(=O)OC3(CC#N)CCC3)c[nH]c12 810857334 PFINKYXZMTZRQU-UHFFFAOYSA-N 296.370 3.789 30 20 CHED CCC(CC)NN=Cc1cscc1C(F)(F)F 811643866 OGIIGNUBFJOJDU-UHFFFAOYSA-N 264.316 3.879 30 20 CHED Cc1ccc(F)c(/C=C2/Cc3ccc(C#N)cc3C2=O)c1 811695858 MWMIHSZJNPTPQM-DHDCSXOGSA-N 277.298 3.828 30 20 CHED CC(C)(C)CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813217621 NTDYTMJICQHJMJ-SNVBAGLBSA-N 284.281 3.713 30 20 CHED COCCC(C)=NNc1ccnc2cc(Cl)ccc12 814693687 CQKVRWPPCSTMCC-UHFFFAOYSA-N 277.755 3.713 30 20 CHED Cn1ccnc1NN=C1CCCC[C@@H]1C1CCCCC1 814918842 HEJDMOJOYPJQPO-CQSZACIVSA-N 274.412 3.959 30 20 CHED C#Cc1cccc(N[C@H]2CCC[C@H](CCCC(=O)OC)C2)c1 815135563 PNFQVBWBVMLUDG-AEFFLSMTSA-N 299.414 3.982 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C(F)(F)F)ccc1F 815344378 OFTCLIDEMQTLQJ-UHFFFAOYSA-N 297.198 3.994 30 20 CHED C[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(C#N)s1 816224229 CGEGLVOHDGMKGQ-JFGNBEQYSA-N 263.362 3.601 30 20 CHED CC(C)n1cncc1C=NOc1ccccc1C(F)(F)F 819809060 MKWJWTWNWJWIJA-UHFFFAOYSA-N 297.280 3.896 30 20 CHED CC(C)C#CC(=O)N1CCC[C@H]1Cc1ccccc1Cl 823356965 UBJKQDHMLDSUHY-HNNXBMFYSA-N 289.806 3.533 30 20 CHED CCCCCCCCCNC(=O)/C=C(/C)c1cnccn1 824626042 UEXWPZPWEOLZEO-SQFISAMPSA-N 289.423 3.747 30 20 CHED C#CC1CCN(C(=O)N[C@@H](CC)c2ccc(C)cc2)CC1 825583118 LJDGFMTZSAGJED-KRWDZBQOSA-N 284.403 3.501 30 20 CHED C=CCCCCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 827777270 ABVFUAGRKZSBMK-SFHVURJKSA-N 291.410 3.927 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(OC)c(OC)c2)c1 834901629 AQIYUVBIULDACV-CQSZACIVSA-N 295.382 3.536 30 20 CHED Cc1nc2ccccc2nc1C=NOC1CCCCC1 834972932 RLEZTLRABFCINX-UHFFFAOYSA-N 269.348 3.621 30 20 CHED C[C@@H](NN=Cc1cc2cc(Cl)cnc2o1)C(C)(C)C 834981560 SHVJEEXGTXEHFO-SECBINFHSA-N 279.771 3.839 30 20 CHED C=CCC[C@@H](C)OC(=O)[C@@H](CC)CC(F)(F)F 835269479 WLHNIRVVROUKRJ-ZJUUUORDSA-N 252.276 3.863 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)CC1CC(F)(F)C1 835282173 NZRKFZANQYHILQ-UHFFFAOYSA-N 299.704 3.690 30 20 CHED C#CCCCCC(=O)OCCc1cccc2ncccc12 835656957 BIBIEHIQFUNAER-UHFFFAOYSA-N 281.355 3.514 30 20 CHED C#CCC1(C(=O)OCC2CC(F)(F)C2)CCCCC1 837661417 YNBLVCADJZCNOT-UHFFFAOYSA-N 270.319 3.549 30 20 CHED C=CC[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 839059645 QMLMHLIUWDWJMS-PVAVHDDUSA-N 283.371 3.972 30 20 CHED C=CC[C@@H](NC(=O)[C@H](CC)CC(C)C)c1ccncc1 839284563 LCLMCVMEIUXKKC-GDBMZVCRSA-N 274.408 3.887 30 20 CHED CC(C)c1cc(C(=O)OCCC2(C#N)CCCCC2)n[nH]1 840206849 KACAKLGSRTYJLW-UHFFFAOYSA-N 289.379 3.554 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc[nH]1 840332787 DERQEGRGWBRTNO-HOCLYGCPSA-N 297.402 3.562 30 20 CHED CCC(=NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@H]1C 841633495 KSVALTROHOHXLG-SCZZXKLOSA-N 265.288 3.568 30 20 CHED FC1(F)CCC(=NNCc2cccc3cccnc23)CC1 842524110 KCLCZPXSETWUOJ-UHFFFAOYSA-N 289.329 3.890 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)OCC(C)(C)CC#N 842759541 UJYJJDXPGLKIFP-NWDGAFQWSA-N 251.370 3.542 30 20 CHED CC(F)(F)CCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842937574 FLURGJXEUOYMBY-VIFPVBQESA-N 284.331 3.632 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C/C1CCCC1 843547990 QUVFVDZMSNSAKF-VAWYXSNFSA-N 285.387 3.614 30 20 CHED N#Cc1cc(-c2ccc([C@@H](O)C3CCC3)cc2)ccc1O 846782288 PMMQPWJMCMHQQO-SFHVURJKSA-N 279.339 3.764 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1cccc(Cl)c1F 851204241 NCLYDTCUHSCRNT-JTQLQIEISA-N 297.757 3.893 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(OC(C)C)cc1 853002362 LSIQMJSHGUCXPB-YFHOEESVSA-N 298.386 3.976 30 20 CHED CCCn1nccc1/C=C1/C(=O)c2cccc(C)c2[C@H]1C 853007132 PUPRROVSFQXFBN-XDUBLRSXSA-N 280.371 3.985 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccsc2Cl)C1 853129157 FQLLICLWXMLGGP-BDAKNGLRSA-N 269.753 3.641 30 20 CHED COc1ccc(C=NOCC2CCC2)c(Cl)c1OC 853439143 CIHMHZRFLRWXHR-UHFFFAOYSA-N 283.755 3.508 30 20 CHED Cc1cccc(-c2cnc(NC(=O)C#CC(C)C)s2)c1 854457909 TVBGFYJMKTZQRK-UHFFFAOYSA-N 284.384 3.716 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)c1nccn1C 856276535 BVTATMGSZIKIEU-AWEZNQCLSA-N 279.428 3.738 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H](CCCC)C(C)C 857605652 IFGUNRFKVLCESW-CYBMUJFWSA-N 291.357 3.863 30 20 CHED N#Cc1ccc(SCC2(Br)CC2)cc1 863291834 AHYFHJBTHYVJMC-UHFFFAOYSA-N 268.179 3.578 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1ccc2ccccc2n1 879044676 PFBAQDSZYPEZTP-UHFFFAOYSA-N 268.360 3.800 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 889813685 BSPRTHNWPOMBCU-CYBMUJFWSA-N 276.767 3.623 30 20 CHED CCC(C#N)(CC)C(=O)NCCC1CCC(F)(F)CC1 890054721 LIMOZGLOTKSYLX-UHFFFAOYSA-N 286.366 3.648 30 20 CHED C#CCCCC(=O)N1CCC(c2cc(C)cc(C)c2)CC1 891291762 KZYPDTADPKAGLJ-UHFFFAOYSA-N 283.415 3.813 30 20 CHED COC(=O)CCc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 893424952 GZLCOKRNTOYYRZ-ZDUSSCGKSA-N 288.391 3.532 30 20 CHED C=C[C@@H](Cc1nc(C(C)(C)COC)no1)c1ccccc1 896591818 WZMZZZSQTMDITL-ZDUSSCGKSA-N 286.375 3.506 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(OC(C)(C)C)c2)nn1C 901554686 BOPIYPCGJQICGX-KTKRTIGZSA-N 298.386 3.802 30 20 CHED N#CC1(CCCCn2c(=O)oc3ccc(F)cc32)CCC1 902733306 BEOPFTYSWPOKIJ-UHFFFAOYSA-N 288.322 3.598 30 20 CHED CC[C@H](N[C@@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1 902994178 MAMDLOTYTFMPLU-KBPBESRZSA-N 282.309 3.940 30 20 CHED Cc1cccc2oc(C(=O)OCCCSCC#N)cc12 909554224 PFFAYVIIURJUQZ-UHFFFAOYSA-N 289.356 3.545 30 20 CHED Fc1cc2nc(NN=C3CCCCCC3)[nH]c2cc1F 912817860 ZCIIYSWMQAHENT-UHFFFAOYSA-N 278.306 3.963 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(Cl)s1 915653717 JCEYNPZYBKWMGR-ONEGZZNKSA-N 266.753 3.638 30 20 CHED Cc1ccc(C/N=C\c2c(O)ccc3ccccc23)cn1 915982023 MYNSOJCWCLDAND-UNOMPAQXSA-N 276.339 3.868 30 20 CHED CC(CCC(C)C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 916246312 RBVLNDINMWKLOR-UHFFFAOYSA-N 294.311 3.727 30 20 CHED Cc1cccc(NN=Cc2cc(C)c(O)c(C)c2)c1 916256053 JPYXQYYPNPGLCA-UHFFFAOYSA-N 254.333 3.763 30 20 CHED CCN(C(=O)C=C1CCCC1)[C@H](C)c1ccc(C#N)cc1 917645959 DUOOPPHVNUTRTA-CQSZACIVSA-N 282.387 3.968 30 20 CHED CCC/C(C)=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(CC)cc1 920324576 PXBPUELPZZTZTR-KVNDZABWSA-N 298.386 3.643 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(F)cc2C)c1 920942158 OOLVZUKRVAJKPU-UHFFFAOYSA-N 273.307 3.989 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 924697189 PSRQPWZKJPBFNF-CHWSQXEVSA-N 299.418 3.550 30 20 CHED N#CC1(CCCCN[C@@H]2CCO[C@H]2c2ccccc2)CCC1 931374200 KJDSENFQSXJYJT-MSOLQXFVSA-N 298.430 3.970 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@H](C)Cc1cccs1 933495692 ZVULVLPDCDDCBK-OLZOCXBDSA-N 265.422 3.645 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 933828471 TWOPVCAHKGAVMT-BFYDXBDKSA-N 287.403 3.577 30 20 CHED COc1cccc(C(C)(C)CNc2cccc(CC#N)n2)c1 1116636173 FPWUDGZQDRJJGK-UHFFFAOYSA-N 295.386 3.546 30 20 CHED C=C(C)CCOC(=O)[C@@H]1Cc2ccc(C)cc2S1 1117150341 MVXTXVYXJULNSG-AWEZNQCLSA-N 262.374 3.521 30 20 CHED C[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)c1cccc(F)c1 1132446200 VQJMCDMGGKUSGQ-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1ccc(F)cc1F 1142190847 IYYWLVRAIHDWLW-AWEZNQCLSA-N 265.303 3.595 30 20 CHED N#Cc1cc2ccccc2nc1N1CCc2ccsc2C1 1148632959 YOZXXJBXXACBHW-UHFFFAOYSA-N 291.379 3.731 30 20 CHED CCCN(Cc1ccccc1F)C[C@H](C)CCC#N 1182909896 KQZPORFEQHYWHI-CQSZACIVSA-N 262.372 3.978 30 20 CHED N#Cc1c(F)cccc1Sc1ccc(C(F)(F)F)nn1 1186843908 CLLDEGQAHAVALI-UHFFFAOYSA-N 299.252 3.657 30 20 CHED COc1cc(OCc2csc(C)c2)ccc1C#N 1189224992 GWMVJDYHFHDTOH-UHFFFAOYSA-N 259.330 3.516 30 20 CHED COC(=O)c1coc(CSc2ccc(C#N)c(C)c2)c1 1189583414 OWFCQOQVLLVECL-UHFFFAOYSA-N 287.340 3.539 30 20 CHED CCC[C@H](NCc1cccc(F)c1C#N)C1CCC1 1206239424 GRPWTQNJZATKPY-INIZCTEOSA-N 260.356 3.756 30 20 CHED N#CC1(c2nnc(-c3cc4ccccc4o3)o2)CCCC1 1257887104 ZXSKXXOECGFPAJ-UHFFFAOYSA-N 279.299 3.818 30 20 CHED CCOc1cccc(NC(=O)[C@@H](CC#N)c2ccccc2)c1 1264703285 KQYGPPBMBNPCNO-KRWDZBQOSA-N 294.354 3.721 30 20 CHED N#Cc1ccc(CCSc2nncc3ccccc23)cc1 1307288414 AIMQCDOXGXVPNA-UHFFFAOYSA-N 291.379 3.836 30 20 CHED C[C@@H](CSC(C)(C)C)Nc1ccc(OCC#N)cc1 1320670260 RMAMQFLGKQAZSN-LBPRGKRZSA-N 278.421 3.921 30 20 CHED Cn1cc(CSCCC(C)(C)C#N)c(C(F)F)n1 1320700953 CFXUHUTWLMZSFK-UHFFFAOYSA-N 273.352 3.531 30 20 CHED CCn1c(C(=O)N(CCC#N)CC(C)C)cc2ccccc21 1325424902 QXLSCNCHZWIITC-UHFFFAOYSA-N 297.402 3.673 30 20 CHED CCn1nnc(C)c1CSCCC1(C#N)CCCCC1 1326167622 XFJYDIUKIXZCTP-UHFFFAOYSA-N 292.452 3.704 30 20 CHED C[C@H](CC1CCCCC1)C(=O)OCCCSCC#N 1328720586 ASMDDFZKYQBADQ-CYBMUJFWSA-N 283.437 3.783 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1sc(C(C)(C)C)nc1C 1338327522 FSODWGSIVJPJNA-LLVKDONJSA-N 293.436 3.513 30 20 CHED CCC(CC)(C(=O)N(C)[C@H](C)CC#N)c1ccccc1 1338414979 PHVWPHJSNLMQFN-CQSZACIVSA-N 272.392 3.505 30 20 CHED COc1cc(CNc2ccc(Cl)c(C#N)c2)ccc1F 1339077552 MBYUPPYMNDAGML-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C[C@@H](CC)CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 1346148391 SZHUAKDYGHGBCJ-JQWIXIFHSA-N 296.292 3.879 30 20 CHED Cc1ccc(O[C@@H](C)C(=O)O[C@@H](CC#N)c2ccco2)cc1 1350312301 SQERKEJNIUDODG-BBRMVZONSA-N 299.326 3.554 30 20 CHED Cc1cc(C)c(CNC(=O)c2ccc(C)c(C#N)c2)c(C)c1 1353261221 HONAWYPLWGIQAV-UHFFFAOYSA-N 292.382 3.722 30 20 CHED COCCC1(CNc2cc(C#N)cc(Cl)n2)CCCC1 1354131680 JOKAJRSBOPPNEJ-UHFFFAOYSA-N 293.798 3.615 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 1457196519 XLICARGALZCYKS-XPKDYRNWSA-N 271.360 3.989 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)c(C#N)c1 1460276948 GKOVHGVGHFYICT-CYBMUJFWSA-N 293.345 3.762 30 20 CHED Cc1cc(NC(=O)CCC2CCCCC2)ncc1C#N 1461218250 RQALIOWORSXPKQ-UHFFFAOYSA-N 271.364 3.561 30 20 CHED CCC1(CC)[C@H](Nc2ccc(C#N)c(C)n2)[C@@H](C)[C@H]1OC 1472744736 CNDNRVHXECGZPN-HFBAOOFYSA-N 287.407 3.513 30 20 CHED CC(C)CC[C@@H](C)NC1CCN(c2ccccc2C#N)CC1 1474657187 WFKJELRTWJEENR-MRXNPFEDSA-N 299.462 3.941 30 20 CHED N#CC[C@@H](C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1519829636 SPOIIJPTRQACFS-LEUOFYLZSA-N 296.414 3.626 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1nn(C(C)(C)C)cc1C#N 1531924067 HWMMIUOMLDSNJX-GFCCVEGCSA-N 290.411 3.521 30 20 CHED Cc1ccc(F)cc1[C@@H](C)OC(=O)c1ccc(C#N)cc1 1535623212 VOQZCXVEWCSECP-GFCCVEGCSA-N 283.302 3.924 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N(CC)C[C@H](C)C#N 1543049616 PPUYBZHZOKZPFI-WBVHZDCISA-N 286.419 3.572 30 20 CHED CC(C)(CNC(=O)c1ccc(C#N)c(Cl)c1)C1CCC1 1545034149 ILRDAWTYCVSHQM-UHFFFAOYSA-N 290.794 3.768 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(CC#N)c1 1545048819 UGKMLPRDPBRDMD-CYBMUJFWSA-N 296.345 3.709 30 20 CHED CC[C@H](NC[C@H](O)c1cccc(C#N)c1)c1ccc(C)cc1 1559711789 SQWPFYPGELCUJL-OALUTQOASA-N 294.398 3.641 30 20 CHED C=CCCC[C@H](NC(=O)[C@H](CC)CC1CCCC1)C(=O)O 1588787041 SVFLNPYPGSOYEA-CABCVRRESA-N 295.423 3.519 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(C(=O)O)o1 1605266621 JAWNCCNYYMIIDZ-UHFFFAOYSA-N 295.379 3.800 30 20 CHED N#Cc1cccc(Br)c1NCCc1ccoc1 1612615982 PYNAOCMRPQLBIP-UHFFFAOYSA-N 291.148 3.568 30 20 CHED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(Br)ccc1C#N 1612934263 LDXKQXBXMDKWTJ-PKINLEFWSA-N 291.192 3.777 30 20 CHED CN(CC1CCCCC1)C(=O)[C@@H](CC#N)c1ccccc1 1629614062 UBWANEAYWAZFIR-KRWDZBQOSA-N 284.403 3.723 30 20 CHED C[C@@H]1CCCC[C@H]1CNc1nc(C#N)c(Cl)s1 1642179667 XVMQZOZHNGVXJU-BDAKNGLRSA-N 269.801 3.906 30 20 CHED Cc1ccc([C@H](C)CNc2ncc(C#N)cc2F)cc1 1642288454 BXCDBIIODBRROE-GFCCVEGCSA-N 269.323 3.616 30 20 CHED C[C@H]1CCN(Cc2cc(C#N)ccn2)CC12CCCCC2 1642808902 XLWZCDYZIJWFMF-HNNXBMFYSA-N 283.419 3.746 30 20 CHED CC1CCC(N(CCOc2cccc(C#N)c2)C2CC2)CC1 1644354433 SMPPQJQULYHOSN-UHFFFAOYSA-N 298.430 3.980 30 20 CHED CCC(CC)CN(CCC#N)CC1(OC)CCCCC1 1651830933 JSESKSWJZGNMEL-UHFFFAOYSA-N 280.456 3.988 30 20 CHED Cc1ccc(C[C@H]2CCCN2CC2(CC#N)CC2)cc1 1657312079 OONDHOAJXWDRIE-QGZVFWFLSA-N 268.404 3.696 30 20 CHED CC1(C)c2ccccc2CCN1Cc1ccc(C#N)cc1F 1665061613 FOYSFALSFIPOMN-UHFFFAOYSA-N 294.373 3.991 30 20 CHED Cc1occc1CN1CCC(c2ccc(C#N)cc2)CC1 1665780883 TXOCTVVAKDWJPI-UHFFFAOYSA-N 280.371 3.839 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(F)c(C#N)c1 1668160851 PVAJWIJGSYHGGV-BZNIZROVSA-N 289.354 3.788 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccc(C)c(F)c1 1776036879 KADNFLKHEQJFHF-UHFFFAOYSA-N 286.306 3.668 30 20 CHED CC1CCC(=NNc2ccc(F)c(C(=O)O)c2)CC1 1776061369 SMLJXDQIXLSESK-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CC(C)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 7334523 IVHXRWOMRPRSIM-UHFFFAOYSA-N 256.349 3.832 30 20 CHED Cc1csc(SCc2cc(C#N)ccc2F)n1 19847680 NKOFCLCDSGSDBP-UHFFFAOYSA-N 264.350 3.755 30 20 CHED N#Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1Cl 35053689 AZSHQRCURULUAY-UHFFFAOYSA-N 287.706 3.732 30 20 CHED N#Cc1ccc(Sc2ccccc2[N+](=O)[O-])c(F)c1 36886994 AWLXUZBAMFPUTP-UHFFFAOYSA-N 274.276 3.757 30 20 CHED C[C@@H](CC(=O)Nc1cccc(OCC#N)c1)CC(C)(C)C 36987794 LCVZXBZFVUTXQG-ZDUSSCGKSA-N 288.391 3.990 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C/c1ccccc1 49524652 JEKJGJHKDJNIRH-MDZDMXLPSA-N 262.312 3.519 30 20 CHED N#CCc1ccc(NCc2cccc(F)c2F)cc1 52684620 STERGFXEICWIOZ-UHFFFAOYSA-N 258.271 3.643 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C=C(C1CC1)C1CC1 56478866 VQQOKUGSYGMOSI-UHFFFAOYSA-N 296.370 3.642 30 20 CHED CCCCCCCNc1cc(S(C)(=O)=O)ccc1C 59427111 QBVHOZAWJMEQIX-UHFFFAOYSA-N 283.437 3.781 30 20 CHED C[C@H]1CCc2c(C(=O)[C@@H](C#N)c3ccccn3)csc2C1 60477031 DNDKCPUJRVPEPP-AAEUAGOBSA-N 296.395 3.758 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCc1ccccn1 60803071 MDICFRMMPBTRMP-CPNJWEJPSA-N 276.339 3.602 30 20 CHED C=C(C)CN(CC)Cc1nc(-c2cccc(Cl)c2)no1 60992964 NRFGXPJLHDVPRV-UHFFFAOYSA-N 291.782 3.788 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2nc(C)cs2)cc1 69168622 GKSOMIMKZYJIBJ-ZDUSSCGKSA-N 288.416 3.867 30 20 CHED CC[C@@H]1C[C@@H](C)CN1c1nc(C(F)(F)F)ccc1C#N 75065990 RFAFSBDZBQDOQJ-MWLCHTKSSA-N 283.297 3.597 30 20 CHED COc1ccc([C@@H](C)CCNc2ncccc2C#N)cc1 78359675 VYHHWUFHFOGGRG-ZDUSSCGKSA-N 281.359 3.568 30 20 CHED Cc1ccc(CCCC(=O)N(CC#N)c2ccccc2)s1 79442231 UZARUURADPHJCV-UHFFFAOYSA-N 298.411 3.936 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1cc(C)sc1C 79503091 AYSWAHQNWPKRMA-GFCCVEGCSA-N 281.421 3.525 30 20 CHED CCN(Cc1ccc(N(C)CCC#N)cc1)Cc1ccoc1 92935919 MFWOJSFBIJORHN-UHFFFAOYSA-N 297.402 3.652 30 20 CHED O=C(/C=C\c1cnn(Cc2ccccc2)c1)c1ccccc1 96919780 YODIKASCSRJGRK-QXMHVHEDSA-N 288.350 3.828 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccsc1 104543781 ZDNYBADDIXKNPT-UHFFFAOYSA-N 264.394 3.540 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OCC)c(Cl)c1 117001760 BUELUWQEKIYJRI-JTQLQIEISA-N 282.771 3.825 30 20 CHED C=CCCCN[C@@H](c1ccccc1)c1ccccn1 117871009 KTEAMZCSTCQRFP-KRWDZBQOSA-N 252.361 3.727 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(F)cc1 124519281 HLOCXTKIIPJJAX-LBPRGKRZSA-N 279.380 3.507 30 20 CHED Cc1ccc(C(=O)N(C)c2ccccc2C#N)cc1Cl 128648441 SQIPWNPEFFKBFC-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)c1ccccc1OC 130553258 KHLGNRWKAHLPEH-UHFFFAOYSA-N 287.403 3.815 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnc(Cl)cc1C 136002275 LAZPABGOBNXFTA-UHFFFAOYSA-N 264.756 3.750 30 20 CHED C#CCCCCNC(=O)N(CC)Cc1ccccc1Cl 154872487 BPQAYRCUCWHASR-UHFFFAOYSA-N 292.810 3.675 30 20 CHED C#Cc1cccc(NCC(=O)Nc2c(C)cccc2Cl)c1 155362241 GUIMKZLZPPRUBV-UHFFFAOYSA-N 298.773 3.680 30 20 CHED C=C(C)CNC(=O)N[C@H]1CCSc2ccc(Cl)cc21 156498340 LPZNJOMKTDMFSZ-LBPRGKRZSA-N 296.823 3.752 30 20 CHED C=C(C)CNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 161075632 SHMUAMSRAAOUKP-LLVKDONJSA-N 285.309 3.576 30 20 CHED C=CC[C@H](C)N[C@@H]1CCc2cc(Br)ccc21 161672792 FVAOTUVLYNZMOU-IINYFYTJSA-N 280.209 3.991 30 20 CHED N#CCC[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 163534215 UZNATLFPMPPXGD-MRXNPFEDSA-N 297.333 3.992 30 20 CHED C=CCN(CCc1ccccc1)Cc1cn2ccsc2n1 171080290 ATOJSUJJEISSHX-UHFFFAOYSA-N 297.427 3.627 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(-c2csc(C)n2)c1 173030404 IWKBOWAAHVIXNU-UHFFFAOYSA-N 298.411 3.933 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2cccc(CC#N)c2)C1 173663675 MVNKKNZSYXPSHD-GOSISDBHSA-N 284.403 3.795 30 20 CHED COc1ccc(CN(CCCC(C)(C)C#N)C2CC2)cc1 174811407 FHJGBBABIJLLJL-UHFFFAOYSA-N 286.419 3.990 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2cccc(C#N)c2C)C1 178581042 PDEINHCNFSKNJT-QGZVFWFLSA-N 285.391 3.911 30 20 CHED C=CCC[C@H](NCc1ccc(Cn2cccn2)cc1)C1CC1 178673526 QKIXXRYTKFGJTG-IBGZPJMESA-N 295.430 3.766 30 20 CHED C=C[C@@H](CC(=O)N1CCc2sccc2C1)c1ccccc1 179398872 UYSUCDSEPKZKTA-AWEZNQCLSA-N 297.423 3.993 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(Cl)nc2)cc(C)c1O 179412111 WOVMMHNSKIHHDS-HWKANZROSA-N 287.746 3.954 30 20 CHED N#CC1CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1 179734919 NJCQEAJTRTZHFH-UHFFFAOYSA-N 284.334 3.821 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(CC#N)cc1 182842679 GYSYNEXDKQMASG-ZDUSSCGKSA-N 271.364 3.619 30 20 CHED CC#CCCCC(=O)NC1(c2ccccc2)CCCC1 185562976 BWQJHIDLKNKWRK-UHFFFAOYSA-N 269.388 3.766 30 20 CHED COCCOc1cc(C)ccc1N[C@H]1CCC[C@@H](C#N)C1 185722537 XQCCMFINUZDYAC-CABCVRRESA-N 288.391 3.515 30 20 CHED C#Cc1cccc(NC(=O)CCc2ncc(C(C)(C)C)o2)c1 186844435 GZQYZKOPMJFORL-UHFFFAOYSA-N 296.370 3.525 30 20 CHED CCc1cccc(N/C(N)=N/CCCCCSC)c1 187051583 VLVJMRDBSQILAX-UHFFFAOYSA-N 279.453 3.509 30 20 CHED CC(C)(C#N)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 187341057 HYNASWZMEWTSJX-OLZOCXBDSA-N 264.413 3.647 30 20 CHED Cc1cc2occ(C(=O)O[C@H](C#N)C(C)C)c2cc1C 187498850 WGVVHJRJLVVTDG-OAHLLOKOSA-N 271.316 3.755 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1c[nH]c2c(C)cccc12 188447655 HZQPUQKHAJZWBT-GOSISDBHSA-N 284.403 3.737 30 20 CHED C=CCCCC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 190692300 VODQITFIHIKIIZ-LLVKDONJSA-N 277.330 3.780 30 20 CHED CCc1cc(O)nc(CS[C@@H](C)c2cccc(C#N)c2)n1 190810846 CFICHHNHJJARNF-NSHDSACASA-N 299.399 3.611 30 20 CHED C#CCCCC(=O)Nc1nc(-c2ccccc2)cs1 192032983 IFCFLMUJKVDLHJ-UHFFFAOYSA-N 270.357 3.552 30 20 CHED Cc1ccc(Cn2cc(C#N)c(=O)c3ccccc32)cc1C 192133739 GBFVRUXHFGLSTL-UHFFFAOYSA-N 288.350 3.538 30 20 CHED C#CCCCC(=O)OCc1cnc(-c2ccccc2)s1 192282970 XRIKXEHNNDHHDE-UHFFFAOYSA-N 285.368 3.657 30 20 CHED COc1ccc(C(=O)/C=C\c2sccc2C)c(OC)c1 211361779 OOXFVYRXPMAXDW-SREVYHEPSA-N 288.368 3.970 30 20 CHED C=CCOc1ccc(CNCC2(SC)CCC2)cc1 227946632 NDIIUXWDCSFKNP-UHFFFAOYSA-N 277.433 3.627 30 20 CHED C=CCCN[C@@H](C)c1ccc(F)cc1Br 235500261 CBUPYBXCHVQNSQ-VIFPVBQESA-N 272.161 3.815 30 20 CHED CC(C)[C@H](CN[C@H]1CCC[C@@H](C#N)C1)Nc1ccccc1 248845801 OFHNEPMTRROUOA-NJAFHUGGSA-N 285.435 3.795 30 20 CHED N#CCOc1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 252454586 HFOVQAHRYYLVKG-UWLPGLTFSA-N 282.387 3.826 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1ccc(C(C)C)cc1 253608817 WWWKIYNGXKECAK-CYBMUJFWSA-N 277.433 3.734 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1F)c1cncc(F)c1 255307976 IVGLXBPBOIKRDV-RJRFIUFISA-N 279.673 3.909 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1cc(F)cc(F)c1 255396249 DNMLMLOHYKDULQ-PLNGDYQASA-N 284.265 3.509 30 20 CHED C[C@H]1CC/C(=C\C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 267830587 CSXXLDQSXGIHAS-XNBKRRRXSA-N 288.778 3.767 30 20 CHED C#CCCCCC(=O)N(Cc1ccccc1F)C(C)C 271383749 RYJZHKORMAGFEK-UHFFFAOYSA-N 275.367 3.756 30 20 CHED C#CC[C@H](N[C@H](C)c1cccc(CO)c1)c1ccccc1 271874342 HADOGIXJZNBSJF-BEFAXECRSA-N 279.383 3.594 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2OC[C@@H]1C 272910320 HJEYKHIRAFCDHC-AWEZNQCLSA-N 285.387 3.565 30 20 CHED C=CCCCNc1ccccc1[C@@H](O)C(F)(F)F 273495902 OJURPTVSOJZFKW-GFCCVEGCSA-N 259.271 3.660 30 20 CHED N#Cc1cc(N[C@H]2CCC[C@H]2CCO)ccc1C(F)(F)F 275024689 MVOKZRITHGGTIZ-HZMBPMFUSA-N 298.308 3.540 30 20 CHED C#CCCCC(=O)N(CC)[C@@H](CC)c1ccccc1 276952674 CHVSYEPTTLLYGB-INIZCTEOSA-N 257.377 3.790 30 20 CHED CC(C)n1nccc1/C=C1\CCc2sccc2C1=O 280146571 ZRKVQWQCFBBIEN-PKNBQFBNSA-N 272.373 3.738 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(O)c(F)c1 280853437 AFLNOPKLZAZZFW-AATRIKPKSA-N 288.322 3.513 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1cccc(OC)c1 281516535 WWMHUYYMOXKLEY-HIFRSBDPSA-N 275.392 3.660 30 20 CHED COc1cc(C#N)cc(Cl)c1OCCCCCF 284549718 VWMLFNSGWGMGDE-UHFFFAOYSA-N 271.719 3.739 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1ccc2ccccc2c1 285082668 SAUAFQXHZUQYJT-GOSISDBHSA-N 280.371 3.738 30 20 CHED CN(CC#Cc1ccc(F)cc1)C1CCC(F)(F)CC1 286945526 MFGTUNZOLZQJSD-UHFFFAOYSA-N 281.321 3.687 30 20 CHED N/C(=N\C[C@H]1CCCC[C@H]1C(F)(F)F)Nc1ccccc1 287207357 MFPHKRQLWMBPOS-DGCLKSJQSA-N 299.340 3.782 30 20 CHED COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c(F)cn1 287797684 TXUVFRVKUYCWEM-VXGBXAGGSA-N 299.349 3.513 30 20 CHED N#CCCCC(=O)N1CCC[C@@H]1CCCc1ccccc1 291894579 KJKJJQSPAHWGCQ-KRWDZBQOSA-N 284.403 3.694 30 20 CHED N#CCCCC(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 293275489 LUXFKLUDWVJTLL-SRVKXCTJSA-N 289.404 3.679 30 20 CHED CCCCCCCCCC(=O)NCCc1nccnc1C 294768911 ZMHLSJOHAOYHNX-UHFFFAOYSA-N 291.439 3.584 30 20 CHED C=C(C)CNc1nc(CC[C@@H]2CCCCO2)cs1 295461747 XGQZPLSANUTXFS-ZDUSSCGKSA-N 266.410 3.633 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)c1ccc(CC#N)cc1 295511197 CSVPUQFHJFDLSC-AWEZNQCLSA-N 270.376 3.617 30 20 CHED CC(C)(CCC#N)CNc1ccc2cnccc2c1 296435477 DUWVZHZVYUMUOD-UHFFFAOYSA-N 253.349 3.977 30 20 CHED Cc1ncccc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 297831038 QPSUZEPFKPWEOH-UHFFFAOYSA-N 299.399 3.873 30 20 CHED N#CCCCCN1CCn2cccc2[C@@H]1c1ccccc1 299505667 AEXCEECBTPFSTP-SFHVURJKSA-N 279.387 3.587 30 20 CHED COc1cc(F)cc(CNc2cc(C(C)=O)ccc2C#N)c1 302140833 OUGRXIVJKFLNJI-UHFFFAOYSA-N 298.317 3.521 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCc2cccs2)c1 308131297 JHQICQANUFHUGA-UHFFFAOYSA-N 284.384 3.890 30 20 CHED Cc1nc(C#N)cc(Oc2cc(Cl)ccc2Cl)n1 308279445 OQVOLVZXGVPFMH-UHFFFAOYSA-N 280.114 3.756 30 20 CHED CC[C@H](O)[C@H](CC)Nc1ccc(C(F)(F)F)c(C#N)c1 313092078 BCOJMHJFNFTLKJ-STQMWFEESA-N 286.297 3.538 30 20 CHED N#CCCCOc1cccc(N[C@H]2CCc3cccnc32)c1 318336198 SDHUORALSBRVLJ-KRWDZBQOSA-N 293.370 3.864 30 20 CHED N#Cc1cnc2ccccc2c1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 320182844 RTXOTAVFCDDSKC-WRFANHODSA-N 289.382 3.589 30 20 CHED N#CC1(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCCC1 329651463 KIPMSPUVBIXAFD-MELADBBJSA-N 260.381 3.996 30 20 CHED O/C(=N/C[C@H]1CCCCS1)Nc1nc(C2CC2)cs1 329668747 SCKVGNMPPCFBIM-SNVBAGLBSA-N 297.449 3.632 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)CC(C)C)ccc1Cl 330482136 QYNFPPJJZOTIFP-HNNXBMFYSA-N 278.783 3.707 30 20 CHED CC1(C)CCc2ccccc2[C@H](NC(=O)CCCC#N)C1 331418418 LAKXJMKHUKDASU-MRXNPFEDSA-N 284.403 3.900 30 20 CHED N#CC1CCC(CNC(=O)NCC2CCCCCC2)CC1 331521776 NORAIOITBYEESL-UHFFFAOYSA-N 291.439 3.586 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)[C@]1(C#N)CC12CCCC2 333899504 SIWOXERNXUVIOY-HBUWYVDXSA-N 288.435 3.791 30 20 CHED C=C(C)CN(C)C(=O)c1sc2ccc(C#N)cc2c1C 334276625 NSQLUXVRSXAGGF-UHFFFAOYSA-N 284.384 3.730 30 20 CHED CCc1ccsc1C(=O)Nc1scc(C)c1C#N 334381135 JDLVKNZFESQKIR-UHFFFAOYSA-N 276.386 3.804 30 20 CHED Cc1cc(Cl)c(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1Cl 334542712 YOMHHRBISGKANG-SDBXPKJASA-N 283.158 3.790 30 20 CHED C[C@@H](C#N)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 336130725 XDKXYVRKNMCARD-DTWKUNHWSA-N 297.185 3.599 30 20 CHED COc1ccc(F)cc1CNc1cc(C#N)ccc1C 336837688 ZDGXVXHHZBVSSE-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCC(C)(C)[C@@H]1CCCN1C(=O)c1cccc(C#N)c1C 337759763 JODYDCZSJWYMGO-INIZCTEOSA-N 284.403 3.908 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1cccc(C#N)c1C)C1CC1 337868889 MHIORCUFMUNCAG-JSGCOSHPSA-N 284.403 3.906 30 20 CHED Cc1c(C#N)cccc1-c1nc(-c2ccsc2)no1 338029789 VJUSIJZZSYBOMY-UHFFFAOYSA-N 267.313 3.645 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@@H](C)C2(CCC2)C1 338125254 NVFBDQOCVZUVBQ-CYBMUJFWSA-N 282.387 3.519 30 20 CHED CN(Cc1ccc(F)c(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 339127794 XTRJPOZBQOLIBW-ZYHUDNBSSA-N 266.747 3.603 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1nc2ccccc2o1 346510163 PVICPBQLBZLGBJ-ZDUSSCGKSA-N 291.354 3.892 30 20 CHED N#Cc1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1 348994524 JKUUTDORKDECDD-UHFFFAOYSA-N 295.323 3.527 30 20 CHED N#CCCNC(=O)c1ccc(CSc2ccccc2)cc1 350893362 GNWWUYXODSZZEV-UHFFFAOYSA-N 296.395 3.622 30 20 CHED CC1CCC(N(C(=O)Cc2ccc(C#N)cc2)C2CC2)CC1 351645150 VIQVSKAMSQRNGZ-UHFFFAOYSA-N 296.414 3.670 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NCC1CCC1 352313372 CVONODAAKDGHHG-UHFFFAOYSA-N 273.286 3.597 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCCC1(C)C 355403586 OIUABRRKINQZLM-CYBMUJFWSA-N 264.413 3.601 30 20 CHED C=CCN(C(=O)Nc1cccc(COC(C)C)c1)C1CC1 357881692 PXPMLIFBSMKYEI-UHFFFAOYSA-N 288.391 3.794 30 20 CHED C=C(CC)CN(C)CCC1CCN(c2ccncc2)CC1 358736705 LXFDJNJVBYOFBR-UHFFFAOYSA-N 287.451 3.586 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@@H](c1ccccc1)C1CC1 359759649 VYQAXCCAAWTXLX-INIZCTEOSA-N 284.403 3.626 30 20 CHED CC(C)(C#N)CCCCN1Cc2ccc(O)cc2C2(CC2)C1 361574353 VLVHMBYVBLZYGB-UHFFFAOYSA-N 298.430 3.959 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccccn2)cc1 362680144 PRDAFQRBDNPUMR-LBPRGKRZSA-N 283.331 3.570 30 20 CHED N#CCCCN1CCC[C@@H](c2ccc(F)cc2)CC1 364879820 JGLOELJRWQQSND-CQSZACIVSA-N 260.356 3.699 30 20 CHED C=CC[C@H](C)[C@H](C)NC1(c2noc(C(F)F)n2)CCC1 366537331 WTHMIUMDOZKSEG-UWVGGRQHSA-N 285.338 3.577 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)[C@@H]1COc2ccccc21 370498691 IEMYFOPHJSFTPW-ZBFHGGJFSA-N 286.419 3.861 30 20 CHED N#Cc1cccc(CNCc2ccc(-c3ccncc3)cc2)c1 371762493 KFNXFXSSIDVVTL-UHFFFAOYSA-N 299.377 3.910 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(OC)c(F)c1 385220756 RNYZOEHHCZFTNH-LLVKDONJSA-N 251.345 3.697 30 20 CHED C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)c2ccccc21 398503595 IYCBVVYSAVKZSZ-GFCCVEGCSA-N 266.319 3.821 30 20 CHED C[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CC[C@H]1C 404147677 KJXDMWOPMYQIRQ-XUJVJEKNSA-N 260.356 3.612 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1 410528635 SUCWDAYOXPNTQR-GDBMZVCRSA-N 270.376 3.737 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1oc2ccccc2c1CC 410834689 LEWGQRUNQNOVTH-GFCCVEGCSA-N 284.359 3.759 30 20 CHED N#CCCSCc1ccc(OCC(F)(F)F)cc1 413012449 LQPSPJGAJQBIBU-UHFFFAOYSA-N 275.295 3.775 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1[C@H](C)CC[C@H]1C 413833540 KPVHSFUYEAVLHP-BFYDXBDKSA-N 286.419 3.756 30 20 CHED C=CCC[C@@H](CCC)NC[C@H](CO)c1ccc(F)cc1 414289963 NBKPYDJSDMAPRJ-NVXWUHKLSA-N 279.399 3.626 30 20 CHED C=CC[C@H](Cc1ccccc1)NC[C@H]1CCSC1 414541835 WXJCRFRYESQXSQ-HZPDHXFCSA-N 261.434 3.517 30 20 CHED Cc1ccccc1C1(C(=O)NCC2(C#N)CCC2)CCCC1 416354246 NWNCQNNIKNZYFR-UHFFFAOYSA-N 296.414 3.617 30 20 CHED CC(C)n1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 418151144 WSJMOMHUTRYSET-GOSISDBHSA-N 294.402 3.503 30 20 CHED N#Cc1cncc(Nc2ccc(OC3CCCC3)c(F)c2)n1 420599215 KQCSMYXBNPELHQ-UHFFFAOYSA-N 298.321 3.552 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCCC[C@@H]2c2ccccc2)C1 424333923 UVROVLWGPWETBK-SPUZQDLCSA-N 268.404 3.995 30 20 CHED CCc1c(C)sc(NC(=O)CC2(C)CC2)c1C#N 428718897 OBEMXDCRUQAXMQ-UHFFFAOYSA-N 262.378 3.619 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc2cc(F)ccc2o1 435752228 WVTWAQNKMMWVEX-SJCJKPOMSA-N 289.350 3.643 30 20 CHED N#Cc1ccc(OCCOc2ccccc2F)cc1Cl 438897982 WCGWAZKNYAJNST-UHFFFAOYSA-N 291.709 3.809 30 20 CHED CC[C@H](F)CSCc1cc(C#N)ccc1OC 442547110 UKKGNRZZSUMTFK-LBPRGKRZSA-N 253.342 3.548 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2[C@H]3CCC[C@H]32)CCCC1(C)C 444635514 LAKOASGCNJAPQR-BARDWOONSA-N 261.409 3.626 30 20 CHED CC(C)(C#N)CCCCN1CCOc2ccc(F)cc21 444641758 RWDQGVRNGYJQPM-UHFFFAOYSA-N 276.355 3.745 30 20 CHED C=CCC1(C(=O)N2C[C@H](CC)O[C@H](C)C2)CCCCC1 448957303 RVQUSQOTMNIREZ-CABCVRRESA-N 279.424 3.539 30 20 CHED C=CCC1(NCc2ccc([S@](C)=O)cc2)CCCCC1 449575590 NDWDXHOLFASFOT-FQEVSTJZSA-N 291.460 3.793 30 20 CHED CC(C)C[C@@H](Nc1nccc(C#N)n1)c1cccs1 450371015 DBDPIYWJBMVPRG-GFCCVEGCSA-N 272.377 3.609 30 20 CHED C=CCC1(C(=O)NCC(C)(C)CCOC)CCCCC1 450608197 YOFIQCOARKXFNU-UHFFFAOYSA-N 281.440 3.692 30 20 CHED C=CC[C@@H]1N(C(=O)c2c[nH]c3nccc-3c2)CCCC1(C)C 451433187 MPCXRCIOPAHTCL-HNNXBMFYSA-N 297.402 3.721 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)Cc1ccc(C#N)cc1 452505081 ADSZHBPQSADTHX-SFHVURJKSA-N 284.403 3.528 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@H](C)c2ccccc21 453350123 IWLDXDRWRKYUCM-DXEWXGHRSA-N 257.377 3.558 30 20 CHED C=C(C)CCNC(=O)Nc1cc(Cl)cc(F)c1F 455374617 AOCGGXKJGOCMJK-UHFFFAOYSA-N 274.698 3.706 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1=CC[C@@H](C)CC1 455427870 PHVDNRYLBZQFQV-CQSZACIVSA-N 262.397 3.521 30 20 CHED CC[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)C1CCCC1 455513947 KMQVSKZJAZCDOF-KRWDZBQOSA-N 299.418 3.668 30 20 CHED C[C@H](CC(=O)NCC(C)(C)CC#N)c1c[nH]c2ccccc12 458043074 PLAGVENEFACFGM-CYBMUJFWSA-N 297.402 3.718 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@]1(C)CC(C)C 458999703 LQNOTMPBVGCDAK-HNNXBMFYSA-N 252.402 3.563 30 20 CHED CCCC1CCC(N(C)C(=O)NCC(C)(C)CC#N)CC1 459228815 CYYHUYBQTQHHSG-UHFFFAOYSA-N 293.455 3.927 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC[C@@H](c2ccccc2)C1 459235078 KNOCWBYUNCYGCU-MRXNPFEDSA-N 299.418 3.515 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCC[C@H](C)C1 460957524 KSXODHLNDAWUMM-LSDHHAIUSA-N 290.455 3.994 30 20 CHED C[C@@H]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)C[C@@H](C)C1 462261166 UTMXGEWYUYDXLE-QLFBSQMISA-N 284.403 3.556 30 20 CHED CCC(CC)C(=O)N(CC(C)C)c1ccc(C#N)cc1 463300137 AXOFWODWUZDDIC-UHFFFAOYSA-N 272.392 3.983 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1ccc(C=C)cc1 463425226 SZLXNYMQJKJVMP-MRXNPFEDSA-N 272.392 3.526 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 464759414 YCDJANJJJFQAMN-ZBFHGGJFSA-N 274.408 3.532 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](SCc1ccccc1)C(C)C 465111296 IQGPSIUUJWIILA-ZFWWWQNUSA-N 277.433 3.635 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](CO)Cc1cccc(C)c1 467354806 GXWCLQREFWCRIK-QZTJIDSGSA-N 275.436 3.623 30 20 CHED C=C(C)COCCN[C@@H]1CCC[C@H](c2ncccc2C)C1 467378526 VQGOWYLVSSQCLS-DLBZAZTESA-N 288.435 3.599 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](CO)c1cccc(Cl)c1F 467415131 AHSNBDPCWAREOK-MJVIPROJSA-N 285.790 3.703 30 20 CHED C[C@@H]1Cc2ccccc2[C@@H]1NCCc1cccc(C#N)c1 467457045 VKQLIBNNMMDMRD-AUUYWEPGSA-N 276.383 3.624 30 20 CHED C=CCNC(=O)CN(c1ccccc1)[C@H](C)c1ccccc1 468504134 DWVAAVMNOWGSQU-MRXNPFEDSA-N 294.398 3.556 30 20 CHED CC(C)(C)c1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 485877696 AAVDEYOHDIXSHC-UHFFFAOYSA-N 281.359 3.979 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 487735423 YGOXUESMRAHCLP-IRXDYDNUSA-N 286.419 3.930 30 20 CHED C=CC[C@H](C(=O)Nc1cccc2c[nH]nc12)c1ccccc1 487815015 DCMKCCTUBGFKOO-HNNXBMFYSA-N 291.354 3.861 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCC(C)(C)CCC#N)c2c1 488061860 LKGRULCNIONYNZ-UHFFFAOYSA-N 292.386 3.579 30 20 CHED C=CCC[C@@H](C(=O)N(C)Cc1cccn1C)c1ccccc1 489705389 VJJJSOLMVPTHBR-GOSISDBHSA-N 296.414 3.734 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCCC1(C)C 489905394 FLVDVCGHYYBTQU-ZDUSSCGKSA-N 251.414 3.921 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)OC1CCCCCC1 489929173 AFLGIGFFLLBXLV-CQSZACIVSA-N 281.440 3.833 30 20 CHED C=CCNC(=O)N[C@H](c1ccccc1)C(CC)CC 503395604 VWDTXGHHXGOQMB-HNNXBMFYSA-N 260.381 3.649 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 506634872 UJWQJJYXCIGPOJ-HNNXBMFYSA-N 292.382 3.974 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2ccccc2)nc1 507502886 DWIDGPJBFXTFTE-KRWDZBQOSA-N 295.342 3.752 30 20 CHED Cc1c(C#N)cccc1C(=O)N1c2ccccc2CC[C@H]1C 509029772 LUFADXCUIVXUOR-CYBMUJFWSA-N 290.366 3.848 30 20 CHED COc1ccccc1-c1ccc(CN(CC#N)C2CC2)cc1 511912884 XIIIGSBRJUXFJW-UHFFFAOYSA-N 292.382 3.850 30 20 CHED CN(CCNc1ccc(Cl)cc1C#N)c1ccccc1 511941809 NMJFOJMZWPDMBE-UHFFFAOYSA-N 285.778 3.760 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(CC#N)cc1 516846357 VZBDJOGPCREUJI-HIFRSBDPSA-N 270.376 3.908 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)c1cc(C#N)oc1C 518471394 RTLSQZMLIRURKK-UHFFFAOYSA-N 296.370 3.821 30 20 CHED C[C@H](C#N)CNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 522108471 OKEPOQWPDORVRU-CYBMUJFWSA-N 298.430 3.925 30 20 CHED C=C(C)CN(CC)C(=O)CSc1cccc(Cl)c1 522394723 GHCCOAZUHFMHOB-UHFFFAOYSA-N 283.824 3.857 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccnc1OCC 523554153 BLMGCPGCLRSEEO-UHFFFAOYSA-N 291.395 3.690 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 527326215 ICCOAFHBWZSNNR-CKEIUWERSA-N 281.440 3.546 30 20 CHED CCC[C@@H](OCC)C(=O)Nc1ccc(CC#N)cc1Cl 529435379 TXUVTWUGZPKLFL-CQSZACIVSA-N 294.782 3.550 30 20 CHED C[C@H](CN(C)C(=O)Cc1cccc(C#N)c1)C1CCCCC1 530035950 BPFIEKNLWQECHJ-OAHLLOKOSA-N 298.430 3.776 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cnc2ccsc2c1 530715122 DIWGPELOTGBXQM-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C=C(C)[C@@H](CC(=O)NCCCC1CCCCC1)OCC 534404394 TVGXGVLWXZEMTG-MRXNPFEDSA-N 281.440 3.834 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C 538553021 YUTCOERXWTUMQE-MCIONIFRSA-N 269.429 3.543 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCOc1ccccc1F 539438044 VVZXPJKOALVVIW-CQSZACIVSA-N 293.382 3.846 30 20 CHED Cc1ccc(CCCC(=O)N2CCC(CC#N)CC2)s1 543835172 NXIQOKWDYUSNRR-UHFFFAOYSA-N 290.432 3.532 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2cccc(F)c2[C@H]1C 545258056 GGISXLRGZHSQDL-OCCSQVGLSA-N 290.382 3.809 30 20 CHED C=CCCN1CCn2c(cc3ccc(Cl)cc32)C1 549341435 XUGSMFDPEXLUKO-UHFFFAOYSA-N 260.768 3.686 30 20 CHED C=CCOCCN1CCC[C@@H]1c1ccc(Cl)cc1 549345327 WSNZBTUMKZOCCY-OAHLLOKOSA-N 265.784 3.680 30 20 CHED C=CCC[C@H](CC)NC1(c2cccc(C#N)c2)CC1 551571896 GEVXOBRXPSUEKI-INIZCTEOSA-N 254.377 3.882 30 20 CHED Cc1c(C(=O)N2CC[C@@H](C)[C@@H]2C)sc2ccc(C#N)cc12 551705662 IJMVWSIKKHOKQF-PWSUYJOCSA-N 298.411 3.952 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2ccnc(C#N)c2)CC1 553603347 AWRSSQTYCJSERF-IBGZPJMESA-N 291.398 3.901 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(C2=CCCC2)cc1 558670252 YZCWIWUAJHZFEX-KRWDZBQOSA-N 268.360 3.676 30 20 CHED N#Cc1csc(CN2CCC[C@@H](c3ccccc3)C2)c1 560541813 IKIMJMICXRBUPX-MRXNPFEDSA-N 282.412 3.999 30 20 CHED Cc1ccc(C[C@@H]2CCCN(c3ccc(C#N)nc3)C2)cc1 562343098 NNHASHBPSVILSX-KRWDZBQOSA-N 291.398 3.721 30 20 CHED CCOc1cccc(Cl)c1CN1CCC(CC#N)CC1 566415495 BCRWKWTVVZHOBG-UHFFFAOYSA-N 292.810 3.864 30 20 CHED C[C@H]1CC=C(C(=O)N(CCC#N)c2ccc(F)cc2)CC1 567849544 GWHROIDACBHPFF-ZDUSSCGKSA-N 286.350 3.819 30 20 CHED COc1cccc2c(CN3CCC(CC#N)CC3)cccc12 570129324 LTXFKBRFJIZVJV-UHFFFAOYSA-N 294.398 3.974 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 571620337 FPCDLHVYECTCPK-MJVIPROJSA-N 288.778 3.781 30 20 CHED CSCCc1ccc(Nc2snc(C)c2C#N)cc1 573159907 OPPKLKNQDFOJDG-UHFFFAOYSA-N 289.429 3.972 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccc(-n2cccc2)cc1 575064224 AZTUQGYBYQCKEZ-KRWDZBQOSA-N 294.398 3.587 30 20 CHED C=CCC1(NC(=O)c2c(C3CC3)noc2C)CCCCC1 576683086 XGADJALLLOHZTN-UHFFFAOYSA-N 288.391 3.869 30 20 CHED C=CCCCCCNc1cc2c(cc1Cl)NC(=O)CO2 577465069 FUDVABOXMZBGGW-UHFFFAOYSA-N 294.782 3.829 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)C[C@H]1CC 579338899 GJZBHXKRUKMYGH-BFHYXJOUSA-N 276.428 3.602 30 20 CHED C=CCC1(c2nc(-c3ccc(COC)cc3)no2)CCC1 580496443 KNRQJSOWRWHBPE-UHFFFAOYSA-N 284.359 3.881 30 20 CHED C=CC[C@@H]1N(C(=O)c2cnc(CC)s2)CCCC1(C)C 580610015 IFMDJZQNBQVBBV-ZDUSSCGKSA-N 292.448 3.912 30 20 CHED CCOc1ccccc1NC(=O)Nc1sccc1C#N 585201346 JNZMYTNNFLYDKH-UHFFFAOYSA-N 287.344 3.662 30 20 CHED CC1=CC[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CC1 585726481 CUAAFKSOPJYVQP-NVXWUHKLSA-N 252.361 3.634 30 20 CHED CC[C@H](Cc1ccccc1)N(C)c1cc(C#N)cc(C)n1 587985915 GBPKCBSSAVXQLI-QGZVFWFLSA-N 279.387 3.719 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1c(F)cccc1[N+](=O)[O-] 588035730 OCLTXERWSNQAHZ-AWEZNQCLSA-N 297.289 3.705 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1cccc(F)c1F 588386890 KQGGPFRCVTYKRS-XQRVVYSFSA-N 286.277 3.796 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cccc(OC)c2)c1 589384825 RZOQCWORLHKDNK-UHFFFAOYSA-N 297.354 3.902 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(C)c2ccc(C#N)cc2F)C[C@H]1C 590982130 RNIDXCIWMDWEON-BZPMIXESSA-N 288.366 3.732 30 20 CHED N#Cc1cccc(-c2cc(F)ccc2OC[C@H]2CCOC2)c1 592983412 GFASDCHEOPYIJQ-AWEZNQCLSA-N 297.329 3.780 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(CCc2ccc(C#N)cc2)C1 595437363 FYNSQHWTFBDRGF-KXBFYZLASA-N 291.398 3.579 30 20 CHED CCC1(CC)CCCN(CCCSCC#N)C1 595751962 GWARCFNOSWYSAI-UHFFFAOYSA-N 254.443 3.535 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC([C@@H]2CCCCO2)CC1 595781705 GDUFCPQLXGEZQY-BEFAXECRSA-N 298.430 3.900 30 20 CHED CCO[C@H](CC)c1noc(C2(c3ccc(C#N)cc3)CC2)n1 596621832 PQGRGASUEKEIHP-CQSZACIVSA-N 297.358 3.509 30 20 CHED N#Cc1c(F)cccc1-c1ccc(OC[C@H]2CCCO2)cc1 596638998 HGCACCCBCVZUBG-OAHLLOKOSA-N 297.329 3.922 30 20 CHED C[C@H]1CCC[C@H](C)N1C(=O)CC1(C#N)CCCCC1 597138983 VXZRIOPCRZCQOD-KBPBESRZSA-N 262.397 3.640 30 20 CHED Cc1ccccc1[C@H](NC[C@@H](O)CC(C)(C)C#N)C(C)C 598603007 ROROUAPXFPCOLZ-DOTOQJQBSA-N 288.435 3.583 30 20 CHED C[C@@H](CC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccco1 599614041 QEAIDRXFLJGRDV-STQMWFEESA-N 282.343 3.522 30 20 CHED CCc1csc([C@H](C)Nc2snc(C)c2C#N)n1 601181032 CVQPOYANPJJUHO-QMMMGPOBSA-N 278.406 3.515 30 20 CHED CN(Cc1cc2ccccc2o1)CC1(CC#N)CC1 602781224 IOKCVXLGUNSZSM-UHFFFAOYSA-N 254.333 3.558 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(OCC)cc1 606815727 VKLWRRDFQBRXDS-UHFFFAOYSA-N 275.392 3.904 30 20 CHED CC#CCN(CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 607727965 LQHPYSYWDWJCHA-ZDUSSCGKSA-N 299.336 3.738 30 20 CHED N#Cc1ccccc1/C=C\c1nc(-c2cccc(F)c2)no1 609476210 NNIUVLYFSSGBKY-HJWRWDBZSA-N 291.285 3.918 30 20 CHED Cc1cccc2c(=NCCc3cccs3)c(C#N)c[nH]c12 610211426 WASSOJFFGLXSIE-UHFFFAOYSA-N 293.395 3.553 30 20 CHED C=C(CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 610805486 GYLHYEFFCMPPFC-AWEZNQCLSA-N 282.343 3.959 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])CC2 613422969 MFTQCGOQEYOFPG-HNNXBMFYSA-N 293.326 3.874 30 20 CHED C=CC[C@H]1N(C(=O)c2ccnn2CCC)CCCC1(C)C 614055242 KLECAKCBMAHGIG-OAHLLOKOSA-N 289.423 3.500 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 617783255 WUJYJCRQFFQECB-AWEZNQCLSA-N 280.371 3.663 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 618802428 DOUXIGJCLKDDAX-ACJLOTCBSA-N 262.356 3.896 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(COC)cs2)n1 664891169 KQNRDSDHJCKZKK-UHFFFAOYSA-N 278.377 3.798 30 20 CHED C=CCCNC(=O)N(CCC)CC1CCCCC1 665947768 YFDDSUIZXUPETA-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CCCNC1CC(c2ccc(Br)cc2F)C1 668482882 SHNUFXWOBXXZBE-UHFFFAOYSA-N 298.199 4.000 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCc2cc(O)ccc2C1 683722924 LYBSQUHRBWJPBW-CVEARBPZSA-N 259.393 3.584 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC[C@@H]2C)c1 714399742 JDQAQBDYOYIBFP-SWLSCSKDSA-N 256.349 3.632 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C(C)C)c1 728247503 FWPWWTKHYGUQDQ-BQFCYCMXSA-N 281.399 3.846 30 20 CHED C#Cc1cccc(N(C)C(=S)Nc2ccccc2)c1 728448283 QTQYGUQTEPWWFL-UHFFFAOYSA-N 266.369 3.501 30 20 CHED CCCC[C@H](CC)CNC(=S)N(CCC#N)CC1CC1 728790727 WKFPQPUWWOUMPL-AWEZNQCLSA-N 295.496 3.703 30 20 CHED Cc1ccc(C2CC(=NNc3cncc(Cl)n3)C2)cc1 729816456 MJYGGMPWHUHJHU-UHFFFAOYSA-N 286.766 3.784 30 20 CHED C=C(C)CNC(=S)N1CCc2sccc2[C@@H]1CC 730595133 SMNRQVKPSQNIRS-LBPRGKRZSA-N 280.462 3.508 30 20 CHED CCN(CC)c1ccc(C=NNc2ccc(F)cn2)cc1 731318951 PRPGXTZCZOBZFF-UHFFFAOYSA-N 286.354 3.513 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)c2ccccc2F)c1 731328617 KKZJIWAMMXYUJU-CQSZACIVSA-N 295.357 3.964 30 20 CHED C#CCOc1ccc(CN[C@@H](C)CCc2ccccc2)cc1 733322153 NRYJUSKRYIKVOW-KRWDZBQOSA-N 293.410 3.810 30 20 CHED CC(CSC(C)(C)C)=NNc1cnnc2ccccc12 733749833 BFISMYVPWFCLLR-UHFFFAOYSA-N 288.420 3.949 30 20 CHED CCc1ccc(COC(=O)C2(C#N)CCCCC2)cc1 735347967 RUEHCAKLXOWYEW-UHFFFAOYSA-N 271.360 3.766 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1cncs1 735792935 OOVIIHYEKQFEOS-UTCJRWHESA-N 281.283 3.641 30 20 CHED Cc1cccc([C@@H](C)OC(=O)c2cccc(CC#N)c2)c1 736031338 XXNKRUBSUYCFQQ-CQSZACIVSA-N 279.339 3.979 30 20 CHED CCCCC(COC)=NNc1cccc2cnccc12 737431511 KOOATYSUCGKXHT-UHFFFAOYSA-N 271.364 3.839 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C(/CC)c1ccc(C)cc1 741681451 MRYKOZAYLAEHDF-QBOMHBFWSA-N 270.376 3.597 30 20 CHED CCOc1ccc(O)c(CN[C@@H](C)c2cccc(C#N)c2)c1 743496599 QZGYAOJOERMSLN-ZDUSSCGKSA-N 296.370 3.513 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCOc1ccc(C#N)cc1 743854225 PTVLHPXLHQAHSW-SUMDDJOVSA-N 298.430 3.980 30 20 CHED C=C(C)CCOC(=O)c1[nH]c(-c2ccccc2)nc1C 744299458 BBJKCZRHCSXBBA-UHFFFAOYSA-N 270.332 3.508 30 20 CHED CCC(=NNc1cc(C)cc(C)c1)C1CCOCC1 745197461 MRKISHWLDRRFNB-UHFFFAOYSA-N 260.381 3.908 30 20 CHED COc1ccc([C@H](C)[C@@H](C)NCc2ccc(C#N)cc2)cc1 747100113 RLRDECDOBCDNAL-HUUCEWRRSA-N 294.398 3.849 30 20 CHED Cc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccc1F 748677947 WDQAZKJHCCRDLI-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CCC(CC)CC(=O)OCc1ccc(C#N)cc1C 748920569 RKUIAVGTESFXSN-UHFFFAOYSA-N 259.349 3.736 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@H](C)C1CCCC1 749401173 RYEIFSQERIYOQX-GFCCVEGCSA-N 289.350 3.603 30 20 CHED C#CCCOc1ccc(CNCC2(C3CC3)CCC2)cc1 752106292 ZAADEVXSKYROSB-UHFFFAOYSA-N 283.415 3.759 30 20 CHED C#CCCCc1nc(-c2cccc(SCC)c2)no1 752869809 ZFUUEDVACBZXFG-UHFFFAOYSA-N 272.373 3.805 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)C(C1CC1)C1CC1 753525742 AACIKSLNUITTRK-UHFFFAOYSA-N 288.774 3.671 30 20 CHED CCON=C1CCC(O)(c2ccc(C(C)C)cc2)CC1 753924773 WRWSIVXXHNASIX-UHFFFAOYSA-N 275.392 3.964 30 20 CHED N#CCc1ccc(OC[C@H](O)c2cccc(Cl)c2)cc1 755315064 FJFYYRCGOMSKIJ-INIZCTEOSA-N 287.746 3.518 30 20 CHED CCCCO[C@@H]1CC(=NO[C@H]2CCCCO2)C1(C)C 755821378 QWFKXWYEUNYMLU-KGLIPLIRSA-N 269.385 3.501 30 20 CHED CS[C@@H](C)CC(=O)[C@@H](C#N)c1ccc2ccccc2n1 757390759 QRPQRNGTNUHFKE-AAEUAGOBSA-N 284.384 3.553 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)c(O)c1 757474948 DLQOUZCIHJDTQT-UTCJRWHESA-N 273.719 3.645 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1c1cc(C)ccc1C 761819355 UTZZYCFWDRHJFG-MRXNPFEDSA-N 288.460 3.891 30 20 CHED COc1cc(F)ccc1NN=C(C)c1cccc(F)c1F 761885386 SSJMLHLQMHUQIW-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H]2COc3ccc(C)cc32)c1 763097014 MTFSWITYDXKLPW-DZGUVLCISA-N 297.354 3.652 30 20 CHED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccco1 764802413 WSGRABASXFIWOM-GFCCVEGCSA-N 294.310 3.676 30 20 CHED CC[C@H](Cc1cccs1)NCc1ccc(C#N)cc1 765013532 STWOJAUQOLKYGB-OAHLLOKOSA-N 270.401 3.731 30 20 CHED Cc1cc(OC(=O)[C@@H]2CCCc3sccc32)ccc1C#N 765118045 NUCFFJFHRDNUNE-OAHLLOKOSA-N 297.379 3.954 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(OC)c(Cl)n1 766509823 UMLZXHQRKIBJIW-UHFFFAOYSA-N 296.798 3.562 30 20 CHED CCc1cnccc1C(=O)/C=C\c1csc([N+](=O)[O-])c1 766771655 IAKZYLCJSMLBQM-ARJAWSKDSA-N 288.328 3.510 30 20 CHED C#CCCCCNC(=O)Nc1ccnc(-c2ccccc2)c1 767926848 CRAZOLOCGSOQNL-UHFFFAOYSA-N 293.370 3.674 30 20 CHED COc1cc(C(=O)O)ccc1NN=C[C@H]1CCC[C@H](C)C1 768367349 PEUCGDYWYLGDQM-RYUDHWBXSA-N 290.363 3.617 30 20 CHED N#Cc1cc(Cl)nc(NN=CC2CCCCC2)c1 768380665 CGVDWCCDBSEXHH-UHFFFAOYSA-N 262.744 3.585 30 20 CHED C[C@@H]1CC/C(=C\C(=O)OCCCCC(C)(C)C#N)C1 768744022 HEYWXJYKUSODEZ-MBFWDRTGSA-N 263.381 3.996 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc3nccn23)cc(C)c1F 769608590 DKNWENVUGMKUTL-VOTSOKGWSA-N 294.329 3.986 30 20 CHED Cc1cccc2c1C/C(=C\c1cn(C)nc1C(C)(C)C)C2=O 769610276 OIFCPVKZLWLMCN-UKTHLTGXSA-N 294.398 3.848 30 20 CHED C=CCCCCNS(=O)(=O)/C=C\c1ccccc1Cl 770277304 VZGHSKGGLJIKIH-BENRWUELSA-N 299.823 3.586 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)C(C)(C)C 770289172 GMXOUZOWZUGJNR-LLVKDONJSA-N 273.380 3.670 30 20 CHED C=C(Cl)CNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 771675612 NVKXXJSLQIGUPF-JTQLQIEISA-N 286.202 3.777 30 20 CHED C#CCN(Cc1ccccc1O)[C@H]1CCc2ccccc21 772600749 YOPFHSKQUFKXGT-SFHVURJKSA-N 277.367 3.515 30 20 CHED Cc1ccnc(NN=Cc2cc(F)cc(C(F)(F)F)c2)c1 772844750 RVKOXEDTJYHMQW-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CCc1c(C(=O)/C=C\c2ccn(C)n2)oc2ccc(C)cc12 773154389 MLTHNAOAKXEKAV-SREVYHEPSA-N 294.354 3.933 30 20 CHED C#CCCCCC(=O)O[C@@H](CC)c1ccc(OC)cc1 773797356 SGFIOXCLWWVOIZ-INIZCTEOSA-N 274.360 3.883 30 20 CHED COc1cc(Cl)ccc1NCc1ccc(C#N)cc1 774369094 KGMJOBFVCVTGPU-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCc2cccc(C#N)c2F)c1 774963324 WLPIGNRFKZIMGV-CYBMUJFWSA-N 297.329 3.853 30 20 CHED CC(C)c1ccc(C(=O)OCc2cccc(C#N)c2F)cn1 774973481 XGXPTHSBACTUMV-UHFFFAOYSA-N 298.317 3.573 30 20 CHED C#CCCCNc1cc(C)n(-c2cc(C)cc(C)c2)n1 776853709 WTPLWKSEBIMNIO-UHFFFAOYSA-N 267.376 3.623 30 20 CHED CC(Cc1ccccc1C)=NOCCC(F)(F)F 777455750 KUWMUWCXSRRCQG-UHFFFAOYSA-N 259.271 3.882 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1ccccc1 777911736 NZPKOZGKJCMYFU-CLFYSBASSA-N 271.247 3.630 30 20 CHED C=C[C@H](CC(=O)NOC1CCCCC1)c1ccccc1 777961712 LLMLBOWDMCQLFK-CQSZACIVSA-N 273.376 3.727 30 20 CHED C=CCC[C@@H](C(=O)OC[C@H]1CCCOC1)c1ccccc1 778558470 AMDBHHUVSIZFES-DOTOQJQBSA-N 288.387 3.706 30 20 CHED C#CCCCCCC(=O)Oc1ccc(OCC)cc1 779719901 ZVJQWNXBOFJUBO-UHFFFAOYSA-N 260.333 3.574 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1/C=C/c1ccccc1 779733076 VSVPYTCEUXCLKR-OFAQMXQXSA-N 286.444 3.615 30 20 CHED S=C(NN=Cc1cc(Cl)cs1)Nc1ccccc1 782127528 GLJMBTLWZICXNN-UHFFFAOYSA-N 295.820 3.722 30 20 CHED Fc1ccccc1NN=Cc1cc(Cl)cs1 782187389 YQRFFXVBQQFZJY-UHFFFAOYSA-N 254.717 3.987 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2c(c1)CCC2 782370089 SCHZKRAIWFLAOZ-UHFFFAOYSA-N 271.360 3.662 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1csc(Cl)c1 787161533 BMWYPQWVRMISJF-LLVKDONJSA-N 286.828 3.673 30 20 CHED CCCC(CCc1ccccc1)=NOC[C@H]1CCOC1 788031679 XNOVVDQHIXQIAR-INIZCTEOSA-N 275.392 3.828 30 20 CHED C#CCC1(C(=O)Oc2cccc(F)c2)CCCCC1 788423560 KHGJBPRERIXDRH-UHFFFAOYSA-N 260.308 3.705 30 20 CHED CC(=NNC1CC1)c1ccc(OC(C)C)c(Cl)c1 789038399 WSOUBEBFWJRAMV-UHFFFAOYSA-N 266.772 3.603 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1CCC2(CCCCC2)O1 790099936 RYHMPVTVEIJJFI-BRFSQIRFSA-N 273.376 3.693 30 20 CHED CC[C@@H](C)NN=Cc1ccc(Oc2ccccc2)o1 790181448 DUBGSNFTMMGEIN-GFCCVEGCSA-N 258.321 3.794 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2cccc(C#N)c2)CCC1 791802092 UOENQIHXLZZAAM-ZDUSSCGKSA-N 269.344 3.909 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)c1n[nH]c(CC)n1 793548748 VERPDHJANIKVDR-CHWSQXEVSA-N 264.417 3.543 30 20 CHED CC#CC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 794398448 CASLBNWDRUYHCH-INIZCTEOSA-N 277.367 3.800 30 20 CHED Cn1cc(C=Nn2cnc3ccccc32)c2cc(F)ccc21 794851842 TYBQEEJIVLNKBU-UHFFFAOYSA-N 292.317 3.549 30 20 CHED Cn1cc(C=NOCc2ccccc2)c2cc(F)ccc21 794853391 PWLSDZKXDYGFGV-UHFFFAOYSA-N 282.318 3.868 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OC/C(Cl)=C\Cl)cc1 796043852 UAKVVVVTFFJSKB-KPKJPENVSA-N 298.169 3.964 30 20 CHED CC[C@H](C)CCC(=O)[C@H](C#N)c1nc2ccccc2n1C 796737901 GBSBXZCRRSAQJH-STQMWFEESA-N 283.375 3.576 30 20 CHED C=CCOCCOC(=O)c1cc2ccc(C(C)C)cc2[nH]1 797311653 MUYUSVMYQHMGFK-UHFFFAOYSA-N 287.359 3.651 30 20 CHED C#Cc1cncc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 798242185 DOQXRCHYAUYQQZ-UHFFFAOYSA-N 291.137 3.622 30 20 CHED COc1ccccc1CON=C/C=C/c1ccco1 799117416 LASGEUXROJNWIX-JEVKGGJXSA-N 257.289 3.504 30 20 CHED C#CCCCC(=O)O[C@H](C)c1ccccc1SC 800025436 RQYYECVJAHHUCA-GFCCVEGCSA-N 262.374 3.816 30 20 CHED C[C@H](C#N)OCCN1CCC[C@H]1c1cccc2ccccc12 801916218 ROKNNIICKWJOTC-BEFAXECRSA-N 294.398 3.905 30 20 CHED CC(C)CCn1ccc(Nc2nc(Cl)c(C#N)s2)n1 804602628 DTGVNPJPUCQBLA-UHFFFAOYSA-N 295.799 3.654 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1ccoc1 806003979 SHYWLABQCXPBAI-UHFFFAOYSA-N 264.369 3.558 30 20 CHED C#Cc1ccc(CN[C@H](C)CCCC(F)(F)F)cc1 809654096 RINREPQBMJJJRF-GFCCVEGCSA-N 269.310 3.879 30 20 CHED C=CCCCCCCCNC(=O)Cc1ccc2c[nH]nc2c1 811590410 ZSRAQDQGMSHTRZ-UHFFFAOYSA-N 299.418 3.748 30 20 CHED FC(F)(F)COCCNN=C1CCC2(CCCC2)CC1 811646012 HSXDYTWFCDNCMY-UHFFFAOYSA-N 292.345 3.645 30 20 CHED Cl/C=C\CON=C(C[C@H]1CCOC1)c1ccccc1 811670263 NZSGXVYCEUNCQK-LISYCFJLSA-N 279.767 3.586 30 20 CHED CCC(Cc1ccc(OC)c(OC)c1)=NOC1CCC1 812235512 IXNUXHAAIQNIHJ-UHFFFAOYSA-N 277.364 3.581 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccccc1C#N 812242467 QVLVQDXAYXDKFB-SOFGYWHQSA-N 281.286 3.602 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccc(Cl)cc1 812386750 AGIISUNOAYMYDL-LICLKQGHSA-N 275.735 3.673 30 20 CHED C=CCN(C(=O)c1ccc2c(c1)CCCCC2=O)C(C)C 812895882 PVRPGGYPQFTRFF-UHFFFAOYSA-N 285.387 3.632 30 20 CHED Fc1ccc2c(c1)OCCCC2=NOCCC1CC1 814245392 QZJFFMALQQEGBH-UHFFFAOYSA-N 263.312 3.519 30 20 CHED CC(=NOCCC1CC1)c1c(Cl)nc2sccn12 814245566 YBWOWXBQBOLBPT-UHFFFAOYSA-N 283.784 3.590 30 20 CHED CC(=NNc1ccccc1)c1ccc(Cl)c(N)c1 814684433 UBGUSSUPQYFXKX-UHFFFAOYSA-N 259.740 3.758 30 20 CHED Clc1cncc(NN=C2CC[C@H](c3ccccc3)C2)n1 814797284 FFEPSKBUMQASTF-LBPRGKRZSA-N 286.766 3.866 30 20 CHED CCCCC(COC)=NNc1ccc(OCC)cc1 814985147 UIXIASCIGSQNQK-UHFFFAOYSA-N 264.369 3.690 30 20 CHED C#Cc1ccc(CNCCc2ccc(Cl)c(OC)c2)cc1 816664789 FPIDOCQWDVCEIS-UHFFFAOYSA-N 299.801 3.662 30 20 CHED CCCc1[nH]ccc1C(=O)OC[C@@H](C#N)Cc1ccccc1 817722592 UCVVIWAMHNRABC-OAHLLOKOSA-N 296.370 3.506 30 20 CHED C=CCN(C(=O)CCc1cccc(OC(F)F)c1)C(C)C 819241509 QRSZEUKNRJKMGO-UHFFFAOYSA-N 297.345 3.644 30 20 CHED CC(C)C#CC(=O)N[C@@H](CC(C)C)c1ccccc1 820222256 FBHHWYJSKLNJHH-INIZCTEOSA-N 257.377 3.549 30 20 CHED C#CCCCOc1cccnc1N1CCC[C@@H](CC)C1 820623956 ITMUQSSOHLFMSA-OAHLLOKOSA-N 272.392 3.500 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccc(Cl)nc1 821337120 SQSJUELEIZGXEM-UHFFFAOYSA-N 283.762 3.559 30 20 CHED C=CCCN(C[C@H]1C[C@H]2CC[C@H]1O2)OCc1ccccc1 829107840 UEAKOZVTCRLPOO-KZNAEPCWSA-N 287.403 3.564 30 20 CHED C=CC[C@H](N[C@H](CC)c1ccncc1)c1ccncc1 834589631 MIONSUPULVVEJR-SJORKVTESA-N 267.376 3.835 30 20 CHED C=CCC1(CNC(=O)Cc2ccccc2CC#N)CCCC1 836990209 BJTHQJBLKCKBSS-UHFFFAOYSA-N 296.414 3.548 30 20 CHED Cc1cccc(C2(C(=O)O[C@H]3CCC[C@@H](C#N)C3)CC2)c1 839047026 BVTHHMKVGIJSFW-ZBFHGGJFSA-N 283.371 3.652 30 20 CHED CC(C)CC1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCC1 839053702 KDMRYPHYUCJYPL-KGLIPLIRSA-N 263.381 3.828 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(OCCC)c(OC)c1 839537998 CXRHHQUPXNDLQO-GFCCVEGCSA-N 283.799 3.887 30 20 CHED CCCC[C@H](CC)CNC(=S)N(C)CC(C)(C)C#N 840751326 XTFRFPSSYLNMRF-ZDUSSCGKSA-N 283.485 3.559 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](CC1CCC1)c1ccccc1 845625712 YOWJFGACEATAIO-CJNGLKHVSA-N 288.391 3.723 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cccc(OC)c1O 846158761 KMNQHZATIWKEGA-CHWSQXEVSA-N 263.381 3.796 30 20 CHED C=C(C)CONC(=O)CC1(CSc2ccccc2)CC1 846535693 KKGVSUMJZOOMCX-UHFFFAOYSA-N 291.416 3.573 30 20 CHED C=C(C)CONC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 846538674 KRUZGAGJJKOLMB-SJORKVTESA-N 281.355 3.567 30 20 CHED CCCCCCCCNC(=N)NCc1cccc(OC)c1 849054354 GZTZVJVWGPPIHL-UHFFFAOYSA-N 291.439 3.670 30 20 CHED C=CCC1(NCc2cccc(Cl)n2)CCCC1 852588755 YLLIPJHKOUFRLY-UHFFFAOYSA-N 250.773 3.714 30 20 CHED C#Cc1cccnc1N[C@@H](C)c1ccc(OC)c(OC)c1C 853631309 VDXXJJZSHKZLLK-ZDUSSCGKSA-N 296.370 3.562 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)/C=C\c2ccccc2C#N)C1 855930979 MULNGSKCWBAMNO-CINZJOAMSA-N 282.387 3.609 30 20 CHED CCCc1ccc(CNCc2ccc(C#N)cc2)s1 856765550 ISSKUINULMUXQX-UHFFFAOYSA-N 270.401 3.862 30 20 CHED CCOc1cncc(/C=C/C(=O)c2ccc(CC)o2)c1 857202771 TUDDZFLLTRJUQF-FNORWQNLSA-N 271.316 3.532 30 20 CHED CCC(C#N)(CC)C(=O)OCCC(Cl)(Cl)Cl 860197517 DODDVURGDBISLJ-UHFFFAOYSA-N 286.586 3.620 30 20 CHED C=CCC[C@H](C(=O)NCc1ccns1)c1ccccc1 862410805 IXCQVGAVJZVBPS-HNNXBMFYSA-N 286.400 3.509 30 20 CHED CSC1(C=NNc2nc3ccccc3[nH]c2=S)CC1 863124778 CLSCADBEDXLQEB-UHFFFAOYSA-N 290.417 3.586 30 20 CHED C1=C[C@H]2C[C@H]1C[C@@H]2C=NNc1nc2ccccc2s1 864094724 WUFMPIPLPYIWEX-SDDRHHMPSA-N 269.373 3.906 30 20 CHED C[C@H]1CSC(S[C@H](C#N)CCc2ccccc2)=N1 865361962 HITJWRVTDNVWAT-AAEUAGOBSA-N 276.430 3.736 30 20 CHED CC(C)(C)c1cn(CCCOc2cccc(C#N)c2)cn1 865376211 DNZJNWJNFVMAAP-UHFFFAOYSA-N 283.375 3.521 30 20 CHED CCc1csc([C@@H](C)Nc2snc(Cl)c2C#N)n1 865898265 OQEMHFFOQNUIOU-ZCFIWIBFSA-N 298.824 3.860 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H](CCC(=O)OC)C1 874535094 DFHDKZOTWYGWFZ-HNNXBMFYSA-N 297.439 3.539 30 20 CHED C=CCC[C@H](CC)Nc1cccc([C@@]2(C)COC(=O)N2)c1 883327890 IAPBJAATNNXJLA-WMLDXEAASA-N 288.391 3.798 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)cc1C#N 887994517 AREZICUPLUHOGT-JTQLQIEISA-N 262.740 3.752 30 20 CHED C=C1CCC(C(=O)N[C@](C)(CC)c2nccs2)CC1 889107532 PHUFZRVBDHKXGL-OAHLLOKOSA-N 278.421 3.631 30 20 CHED CC(C)(C)CN(C(=O)CCCCCC#N)c1ccccn1 891494708 QUYPIGNLKDDACH-UHFFFAOYSA-N 287.407 3.935 30 20 CHED Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(C#N)cc1Cl 892568192 HDSOFYWZFHWKQK-HNNXBMFYSA-N 298.777 3.800 30 20 CHED C=CC(C)(C)Cc1nc(-c2cc(OC)ccc2OC)no1 895961160 QGJQFUVGOQKYFY-UHFFFAOYSA-N 288.347 3.509 30 20 CHED C=C1CCC(C(=O)Nc2ccc(O)cc2Cl)CC1 898577641 BDEAXAQKTVDBCZ-UHFFFAOYSA-N 265.740 3.731 30 20 CHED C=CCCC[C@@H](NCc1c(C)oc2ccccc12)C(=O)O 900069233 VYWZBMRHLHAYLP-OAHLLOKOSA-N 287.359 3.640 30 20 CHED CCC(=NNc1c(F)cc(F)cc1F)C1CCOCC1 901320443 OWTZMPORNVGKTJ-UHFFFAOYSA-N 286.297 3.708 30 20 CHED O=C([C@H](c1ccccc1)C1CC1)N(O)Cc1ccc(F)cc1 901371691 HPJJKUYVZJOANH-QGZVFWFLSA-N 299.345 3.737 30 20 CHED O=C(c1cccc(F)c1Cl)N(O)Cc1ccc(F)cc1 901376836 ZWEJITTVAOPTSF-UHFFFAOYSA-N 297.688 3.650 30 20 CHED N#CN(CCCCC1(C#N)CCC1)c1ccccc1 901507439 GWOWRWYJFKSVOX-UHFFFAOYSA-N 253.349 3.838 30 20 CHED C=CCC[C@@H](NC[C@@H](C)CC1CCCCC1)C(=O)O 901691345 WPBHDSYQDIPXNS-DZGCQCFKSA-N 267.413 3.602 30 20 CHED CC[C@@H](N[C@@H](CO)c1ccccc1C)c1cccc(C#N)c1 902830411 NKMGRMKASOQPDZ-MOPGFXCFSA-N 294.398 3.641 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2scnc2c1 910200711 GKWHXYNAWGQTET-UHFFFAOYSA-N 288.372 3.783 30 20 CHED C(=NOCc1cc(-c2ccccc2)no1)c1cccs1 913029400 JQLZZLXOCQJBTD-UHFFFAOYSA-N 284.340 3.954 30 20 CHED CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 914701519 JTSPLKLBZQOIPC-WOJGMQOQSA-N 298.342 3.697 30 20 CHED CCOc1cc(C=NNc2ccccc2)ccc1OC 916245945 OAGWXUJZRVAAAZ-UHFFFAOYSA-N 270.332 3.540 30 20 CHED COc1ccc(C(C)=NNc2cccc(C)c2)cc1F 917564272 APNKFFZVOYYBOC-UHFFFAOYSA-N 272.323 3.979 30 20 CHED N#CC1(CSCC(=O)Nc2ccc(F)cc2)CCCC1 917663964 ZPLJIUWTUGPGCE-UHFFFAOYSA-N 292.379 3.581 30 20 CHED C=CCCOC(=O)/C=C\c1ccc2cc(OC)ccc2c1 919667992 SJIAEPBDGJUGBU-POHAHGRESA-N 282.339 3.981 30 20 CHED CC(CCc1ccco1)=NN[C@@H](C)c1ccccc1 920383612 XSGYTJPIIATHNF-AWEZNQCLSA-N 256.349 3.939 30 20 CHED Oc1ccccc1/C=N\CCc1ccccc1Cl 921261761 VIJQUVRTINARQS-BOPFTXTBSA-N 259.736 3.707 30 20 CHED Cc1ccc(C#N)cc1-c1nc([C@@H]2CC2(Cl)Cl)no1 924119268 YMSRLCPOQHIVCX-JTQLQIEISA-N 294.141 3.578 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2ccc(F)cc2)C1 926484696 CSRKMQVQCIJVQD-NOLJZWGESA-N 274.383 3.990 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1C 929907915 LCCMKMMOYHOBCZ-XJKSGUPXSA-N 270.376 3.517 30 20 CHED C=C[C@@H](CC)CC(=O)NCC1(CCOCC)CCCC1 934729452 ZGWCCEVCDYUCRD-HNNXBMFYSA-N 281.440 3.692 30 20 CHED Cc1ccc(CC(=O)N(c2ccccc2C#N)C2CCC2)o1 953069787 MOYYHRFQDXDHLE-UHFFFAOYSA-N 294.354 3.588 30 20 CHED C#Cc1ccc(N[C@H](C)CCCC(F)(F)F)nc1 1120926267 BYXITNGLGGNEHB-SNVBAGLBSA-N 256.271 3.596 30 20 CHED C[C@H]1CC[C@H](CCC(=O)O[C@H](C)c2cccc(C#N)c2)O1 1127091466 QLKKWBVJFKOLSS-WOSRLPQWSA-N 287.359 3.510 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@@H]1CCCC[C@H]1C 1128965215 IGYSICJIIKGVNT-DOMZBBRYSA-N 298.386 3.916 30 20 CHED CC[C@@H]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1136756898 VJCFDTBAFWFZAX-AEFFLSMTSA-N 298.430 3.798 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)[C@@H](C#N)CCc1ccccc1 1136825335 RBRNVMUQUZMEDY-SOLBZPMBSA-N 298.430 3.796 30 20 CHED Cc1cccc(-c2cccc(C(=O)NC[C@H](C)C#N)c2)c1 1146978086 JRYAYODJPAJTLQ-CQSZACIVSA-N 278.355 3.552 30 20 CHED N#Cc1cncnc1Oc1ccc(SC(F)(F)F)cc1 1163260427 KLSNIHLRWZAEHU-UHFFFAOYSA-N 297.261 3.752 30 20 CHED CO[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C12CCC2 1163459822 RKTOZIHXKQXRFX-HUUCEWRRSA-N 299.418 3.620 30 20 CHED Cc1cc(N2CC[C@H](C3CCCCC3)C2)ncc1C#N 1167065528 PUYRZPQDHDBMMK-HNNXBMFYSA-N 269.392 3.668 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(CC2(CC#N)CC2)C1 1167465485 WWBWSVMGRSGLBO-CVEARBPZSA-N 268.404 3.867 30 20 CHED C=C(Cl)CN1CCC(Cc2cc(F)ccc2F)CC1 1171097039 BEVUQKJZYIEVIO-UHFFFAOYSA-N 285.765 3.972 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)cc1C#N 1174716136 PRBBZPIXBMVFBD-POYXUOKUSA-N 274.795 3.975 30 20 CHED Cc1csc(NC(=O)NC[C@@H]2CCCC[C@@H]2C)c1C#N 1204889499 RDYUMQPCFGPONO-JQWIXIFHSA-N 291.420 3.876 30 20 CHED CC1(F)CCN(Cc2ccc(C#N)cc2Cl)CC1 1238080746 WHXFGNTWIBDWLV-UHFFFAOYSA-N 266.747 3.536 30 20 CHED N#Cc1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1 1252709119 FMSRMGOOAWPGRA-UHFFFAOYSA-N 281.702 3.929 30 20 CHED CS[C@H](C)[C@H](C)OC(=O)CC1(C#N)CCCCC1 1263478675 FOBQBZXKNAZOIF-NWDGAFQWSA-N 269.410 3.534 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@H](CC#N)c2ccccc2)C1 1265331119 SGUFTPISOXVUFB-YQFWSFKMSA-N 284.403 3.625 30 20 CHED COc1ccc(C#N)cc1NC/C=C/c1cccc(F)c1 1308430773 MWAUVLJZLPEQHL-HWKANZROSA-N 282.318 3.831 30 20 CHED Oc1cccc(/C=N/Cc2cccc(C(F)F)c2)c1O 1320797293 GPOZKSSMUYXHEQ-GIJQJNRQSA-N 277.270 3.655 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)CC#Cc2ccccc2)[C@@H]1C 1321249254 ALPPZGPPWAMFMH-NUJGCVRESA-N 283.415 3.617 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1Cc2ccc(C)cc2S1 1323476538 UIHCQMJNYPQBQP-CZUORRHYSA-N 289.444 3.873 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C)nn1 1324923772 PYWOXDHISMOBFW-GFCCVEGCSA-N 290.411 3.640 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC(C1CC1)C1CC1 1326170196 NVRNSJNHYCHZAB-CYBMUJFWSA-N 296.414 3.904 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1C1CCC1 1331454493 VSYYMQMVVVIPSE-QWHCGFSZSA-N 274.751 3.586 30 20 CHED CC1(C)CC(C(=O)N(c2ccccc2C#N)C2CCC2)C1 1331468798 PCBDAQHYSPJIJU-UHFFFAOYSA-N 282.387 3.880 30 20 CHED CSCC1(CC(=O)Nc2ccc(Cl)cc2C#N)CC1 1331914304 IWVAMKCAHORZRE-UHFFFAOYSA-N 294.807 3.683 30 20 CHED C#CCN(Cc1ccc(C(F)(F)F)s1)CC1CC1 1343722462 MMQZTOPPOAFYMS-UHFFFAOYSA-N 273.323 3.612 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)O[C@@H]1CCSc2ccccc21 1347218395 NXIKCZXELQUMSI-CQSZACIVSA-N 298.367 3.589 30 20 CHED C#Cc1ccc(N[C@H](C)c2cccc(N3CCCC3)c2)nc1 1348031700 QZSQWKFHNLPRDV-OAHLLOKOSA-N 291.398 3.836 30 20 CHED CCCC[C@@H](C)c1nnc(COc2ccc(C#N)cc2)o1 1348920008 WKXBNBGKKOJKKX-GFCCVEGCSA-N 285.347 3.814 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1ccc(Cl)s1 1435691627 OYMYMDWYPWBDNY-QMMMGPOBSA-N 271.769 3.946 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(C#N)c2)CC1 1435979657 WHBJDNBXWDZQLX-RDJZCZTQSA-N 284.403 3.893 30 20 CHED N#C[C@H](C(=O)C1(c2ccccc2)CCC1)c1cccc(F)n1 1524696123 OWRFQCZUJKODBQ-AWEZNQCLSA-N 294.329 3.519 30 20 CHED C=C(CNC(=O)[C@]1(C)CCc2ccccc21)c1ccccc1 1527981917 VOQJXGVBAMOVLB-HXUWFJFHSA-N 291.394 3.720 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)c1ccccc1F 1533156490 XVYWCKTXTVHLCO-UHFFFAOYSA-N 286.281 3.503 30 20 CHED CCCC1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 1566174635 ITNDIARXPIQADK-GOSISDBHSA-N 298.430 3.798 30 20 CHED COc1ccc(C(=O)Nc2cc3ccccc3cc2C#N)o1 1584892542 PUUYRZSTAHAACT-UHFFFAOYSA-N 292.294 3.565 30 20 CHED CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1611622807 WWUBFRJXVAMBKM-MRXNPFEDSA-N 297.333 3.527 30 20 CHED Cc1cccc(C)c1CN(CC(C)C)c1cc(C#N)cnn1 1640067742 VNFYUXRIYSMCKV-UHFFFAOYSA-N 294.402 3.628 30 20 CHED Cc1cc(C)nc(COc2nc(C(C)(C)C)ccc2C#N)c1 1641220187 OSABINFCRMBRDT-UHFFFAOYSA-N 295.386 3.842 30 20 CHED Cc1nc(C#N)cc(N[C@H]2c3cccc(F)c3CC[C@H]2C)n1 1642359831 WXJDLVDWWOIGPA-BMLIUANNSA-N 296.349 3.531 30 20 CHED C[C@@H]1CC[C@@H](NCCc2ccc(C#N)cc2)[C@H](C)C1 1653367492 RGODRJCJZPGGMC-CKEIUWERSA-N 256.393 3.515 30 20 CHED CCN(CCc1ccccc1)c1nc(C#N)c(Cl)s1 1654985857 SUOSYWKCOZNGML-UHFFFAOYSA-N 291.807 3.737 30 20 CHED Cc1ccccc1CCCN1CCc2c(C#N)cccc21 1659080653 RWFBWZMJGLXULI-UHFFFAOYSA-N 276.383 3.862 30 20 CHED Cc1cscc1NC(=O)Nc1cccc(CC#N)c1 1661888568 VNSLTYXTZGFJOH-UHFFFAOYSA-N 271.345 3.767 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(F)cc2C#N)cc1C 1667628234 FYGAVTRIOAVOQS-UHFFFAOYSA-N 297.333 3.983 30 20 CHED C=C(CNC(=O)NC(CC)(CC)CC)c1ccccc1 1673395563 OGJNTFCMOSLJTR-UHFFFAOYSA-N 274.408 3.968 30 20 CHED O=C(O)c1ccc(NN=CCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1776012563 DHZLRRHGLYTVPZ-YUELXQCFSA-N 286.375 3.999 30 20 CHED CCC(=NNc1ccc(CC(=O)O)cc1)c1ccsc1 1776085185 UDMHVIWBVRUNBA-UHFFFAOYSA-N 288.372 3.601 30 20 CHED Cc1cc(F)ccc1C=NNc1cccc(C(=O)O)c1C 1776086709 JXRULQJCFDTIDC-UHFFFAOYSA-N 286.306 3.587 30 20 CHED C=CC[C@H](CC(C)C)C(=O)Nc1ccsc1C(=O)O 1776151835 CMFVBKSATXGJOF-SNVBAGLBSA-N 281.377 3.623 30 20 CHED O=C1C(=C/C=C\c2ccccc2)C(=O)c2ccccc21 6192771 BFEMTHSFMLXVSA-TWGQIWQCSA-N 260.292 3.705 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(OC)c(F)c2)c1 7905236 PRLCPQWOFPQKOL-SOFGYWHQSA-N 286.302 3.739 30 20 CHED C[C@H](CCc1ccccc1)NCc1cccc(C#N)c1 20138315 LVHSQGHAUWQDPH-OAHLLOKOSA-N 264.372 3.669 30 20 CHED N#Cc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3 34552156 KQDNCNMBSIJVJR-UHFFFAOYSA-N 280.371 3.569 30 20 CHED C#Cc1cccc(N[C@@H](C)Cc2ccccc2OC)c1 37185186 HLMFWUODUSPSMG-AWEZNQCLSA-N 265.356 3.720 30 20 CHED N#Cc1ccc(F)c(CNCCC2CCCCC2)c1 37741915 DDQACBZVCHEGJR-UHFFFAOYSA-N 260.356 3.757 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)c1sccc1C#N 52035705 ZPZAIQGUAPFBQA-SECBINFHSA-N 276.386 3.514 30 20 CHED C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccccn1 52857035 OSRDXCIGPVNXML-SNVBAGLBSA-N 257.724 3.780 30 20 CHED Cc1occc1CN(C)c1ccc(Cl)cc1C#N 52859650 IVBMFQQKZLOJID-UHFFFAOYSA-N 260.724 3.750 30 20 CHED CCCN(CC#N)CCCOc1ccc(C(C)(C)C)cc1 58910314 PVMAGILBSGWHFB-UHFFFAOYSA-N 288.435 3.989 30 20 CHED C/C=C/C=C/C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 66396461 KOHVXYLKLQALFQ-KBHRAGRXSA-N 282.387 3.797 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 68751269 HQJPRUZFASPSCB-GFCCVEGCSA-N 282.318 3.515 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 72482540 UXHDTYCGEBULJN-MRXNPFEDSA-N 290.382 3.906 30 20 CHED CCO[C@H](CC(=O)Nc1ccc(CC#N)cc1)C1=CCCC1 72936120 UFFYVJYEABHRTK-QGZVFWFLSA-N 298.386 3.597 30 20 CHED CC[C@H](CNc1ccc(C#N)cn1)c1ccccc1 73868979 QXRGTRFJWXWWDN-CQSZACIVSA-N 251.333 3.559 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CC)c1cc(F)ccc1F 77858198 XYVGBTZCRVWHSE-OAHLLOKOSA-N 294.345 3.800 30 20 CHED N#Cc1ccc(F)c(CNc2ccc(Cl)cc2C#N)c1 78474596 GQSOUBNGUOWLGP-UHFFFAOYSA-N 285.709 3.835 30 20 CHED C=C(C)CN(CC)C(=O)c1oc2ccc(OC)cc2c1C 78915496 WNSSMHJNXPRPFE-UHFFFAOYSA-N 287.359 3.788 30 20 CHED Cc1cc2c(Oc3ccc(C#N)cc3)ncnc2s1 90065158 ZJHJOKXNZWGNBO-UHFFFAOYSA-N 267.313 3.664 30 20 CHED CCOCc1cccc(Nc2snc(Cl)c2C#N)c1 92641678 RZTJKKYLJHXSDX-UHFFFAOYSA-N 293.779 3.948 30 20 CHED C#Cc1cccc(N(C)C(=O)c2sccc2CC)c1 103029826 BBEPLXSOBOANAS-UHFFFAOYSA-N 269.369 3.568 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@H](c1ccccc1)C(C)C 103070823 MFTMSVXVSBBRTM-WBVHZDCISA-N 286.419 3.824 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)ccc1F 103636041 FXVBVEWHMDZPLN-GFCCVEGCSA-N 293.301 3.501 30 20 CHED CCCCCCCCCn1cc([N+](=O)[O-])ccc1=O 103949107 XDVZPJQVSIBYMW-UHFFFAOYSA-N 266.341 3.507 30 20 CHED CC(C)c1ccc([S@@](=O)Cc2cccc(C#N)c2)cc1 108065626 NMXVERLORPPMDT-HXUWFJFHSA-N 283.396 3.989 30 20 CHED Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1C 116805748 JJLGZAUVUOFNHR-YVEFUNNKSA-N 270.376 3.506 30 20 CHED C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CC(C)(C)O1 122390205 KMYCSWVGQLPCIQ-SNVBAGLBSA-N 298.308 3.581 30 20 CHED CCCn1c(-c2cccc(C#N)c2)nc2cc(C#N)ccc21 122963218 LCRZNJCUTHNPRK-UHFFFAOYSA-N 286.338 3.857 30 20 CHED N#CCOc1cc(F)ccc1NCCc1ccccc1F 123857895 MSQAGGBNDUGOMQ-UHFFFAOYSA-N 288.297 3.522 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(F)cc1Cl 124219852 JSNFLYAZVLJTFW-VIFPVBQESA-N 255.720 3.623 30 20 CHED Cc1cc(CNC(=O)Nc2ccc(CC#N)cc2)ccc1F 125301276 ONHQWVFBPACSJY-UHFFFAOYSA-N 297.333 3.522 30 20 CHED C=C[C@H](C)NC(=O)NC1CCC(c2ccccc2)CC1 128264827 PZUHRMIWISADCI-JEYLPNPQSA-N 272.392 3.587 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc(Cl)ccc1OC 129771149 IAKVBDFLUKDIEN-VIFPVBQESA-N 260.164 3.752 30 20 CHED C=CCN(CCc1ccccc1)Cn1cc(C)cnc1=S 131617562 WFYDZQOUSDUTHC-UHFFFAOYSA-N 299.443 3.609 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/C[C@H]2CCCS2)cc1 134020361 DWHIBDTUBPTMQQ-IUODEOHRSA-N 291.464 3.822 30 20 CHED C=CCC[C@H](NC(=O)NCc1cccnc1)c1ccccc1 155916348 LVLWOGKHBINBFL-KRWDZBQOSA-N 295.386 3.588 30 20 CHED CCc1cccc(NC(=O)N(CCC#N)Cc2ccco2)c1 156057995 VZGLDYQGCWKRCX-UHFFFAOYSA-N 297.358 3.790 30 20 CHED O=C(/C=C/c1cccnc1)c1ccc2ccccc2c1O 156610975 YUZTXAIMIHWZSY-JXMROGBWSA-N 275.307 3.837 30 20 CHED N#CCc1ccc(NCc2cccc(Cl)c2O)cc1 158707747 XEXYIERJYBSULA-UHFFFAOYSA-N 272.735 3.724 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@H]1c1sccc1C 163819860 AJCAXASFAAXGEM-KBPBESRZSA-N 296.395 3.979 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1OC(F)(F)F 172100540 XENWIHKJGZKGDG-SECBINFHSA-N 288.269 3.671 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@H](C)C1 172812125 LGDDQZRMXJCPGO-SMDDNHRTSA-N 256.349 3.632 30 20 CHED Cc1ccccc1CSCCCSCC#N 174001304 FBWHTPMEGNMHFE-UHFFFAOYSA-N 251.420 3.875 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(Oc2ccccn2)c1 174517091 DBTRWXGZVZFZAM-ZDUSSCGKSA-N 297.358 3.960 30 20 CHED COc1cc(/C=C2\Cc3ccc(F)cc3C2=O)cc(OC)c1 176410865 MCDGXBKPCLRSSF-WLRTZDKTSA-N 298.313 3.665 30 20 CHED C=CCCC(=O)Nc1ccc(OC2CCC2)c(F)c1 177207567 GDKMPEVIUZRCSH-UHFFFAOYSA-N 263.312 3.662 30 20 CHED N#Cc1cccc(CN2CCC[C@@H](Nc3ccccc3)C2)c1 178046843 LPIUKDRHYCYCBI-LJQANCHMSA-N 291.398 3.635 30 20 CHED COc1ccc(NC(=O)Nc2cccc(C#N)c2C)cc1 178535725 UQKRWCMQHODXRE-UHFFFAOYSA-N 281.315 3.519 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(O)c(C)c1)c1ccccc1 179484525 DDKZVEWWBZVZAW-CQSZACIVSA-N 281.355 3.999 30 20 CHED N#Cc1c[nH]c(C(=O)N[C@@H](CC2CCC2)c2ccccc2)c1 180029342 ARAKPRXKMYCZBQ-INIZCTEOSA-N 293.370 3.548 30 20 CHED C=CCN(CC=C)C(=O)c1c(O)cc(Cl)cc1Cl 180301817 BXRRBELXIHSSEQ-UHFFFAOYSA-N 286.158 3.513 30 20 CHED Cc1nc(C)c(C#N)c(SCc2ccc(F)cc2C)n1 181978869 QLJCAQQGQFBNFF-UHFFFAOYSA-N 287.363 3.705 30 20 CHED Cc1cncc(C(=O)/C=C/C2=Cc3ccccc3OC2)c1 184772975 KBCQDGXDCHQBCP-VOTSOKGWSA-N 277.323 3.605 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(F)cc1Br 185376585 DTJDYYXXBGWCNR-UHFFFAOYSA-N 298.155 3.576 30 20 CHED COc1ccc(Cl)cc1N[C@H]1CCC[C@H](C#N)C1 185735257 AXYAXBHAMRZGBZ-JQWIXIFHSA-N 264.756 3.843 30 20 CHED C=CCCN[C@@H](CC)c1nc(C(F)(F)F)cs1 185957390 CLVOWPSRJMPRCE-QMMMGPOBSA-N 264.316 3.779 30 20 CHED C#CCCCCC(=O)N(CC)[C@@H](C)Cc1ccsc1 186354195 CMKWQYBKDZVSOS-AWEZNQCLSA-N 277.433 3.721 30 20 CHED CC(C)(C)CCNc1ccc(F)cc1OCC#N 187302825 UFZCLMWKMIXFDK-UHFFFAOYSA-N 250.317 3.576 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(C)nc1C 187726294 BVKFLWRLSXCFON-UHFFFAOYSA-N 281.359 3.581 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(OC)c(C)c1 188248101 UVFMOAQMCHYTQY-QGZVFWFLSA-N 275.392 3.564 30 20 CHED C#CCCCC(=O)N(Cc1ccccc1)[C@@H](C)CC 192082799 WPPPDLCLWOENPD-HNNXBMFYSA-N 257.377 3.617 30 20 CHED C=CCCCCCS[C@H](C)C(=O)Nc1cc(C)no1 192550209 KYLXVJIKQVJOEQ-GFCCVEGCSA-N 282.409 3.790 30 20 CHED C=C(C)CSCCOc1ccccc1C(C)=O 192679323 MNICKGKBUVWMPJ-UHFFFAOYSA-N 250.363 3.577 30 20 CHED CSC1(CN[C@@H](C)c2ccc(OCC#N)cc2)CCC1 193801044 TWNASSZIQVGAMZ-ZDUSSCGKSA-N 290.432 3.525 30 20 CHED O=C1/C(=C/c2cc(Cl)cs2)Cc2c(O)cccc21 195335635 OKKBMXXAZQATOL-XBXARRHUSA-N 276.744 3.930 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/C=C\c2ccccc2)cc1 200396302 UIHZKINZYLSXPI-MVTUOISNSA-N 278.307 3.837 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1 211382956 ITHXCSWVIIHICF-YHYXMXQVSA-N 287.309 3.927 30 20 CHED N#Cc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)c(Cl)c1 226345651 ZPDSJRXDYRIHPD-QWRGUYRKSA-N 274.751 3.586 30 20 CHED CC1(C)CCCC[C@H]1NCc1ccc(F)c(C#N)c1 229594682 MSGBYQVIRXJHQF-OAHLLOKOSA-N 260.356 3.756 30 20 CHED C#CCCCNc1ccc(Br)c(Cl)c1 231634315 CDHIJMFHUMXXTC-UHFFFAOYSA-N 272.573 3.928 30 20 CHED C=C(C)CNCc1ccc(Br)c(Cl)c1 232455893 OMZMZIJKAMNWFV-UHFFFAOYSA-N 274.589 3.768 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1nc(Cl)c(C#N)s1 233988290 UIHBCOXUKCRDBK-JGVFFNPUSA-N 257.790 3.905 30 20 CHED C[C@@H]1SCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 235379296 KNGZNZORKUMZQX-QPUJVOFHSA-N 286.322 3.883 30 20 CHED CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2)C12CCCCC2 236890673 QVXVBWFXJBHQEC-ZWKOTPCHSA-N 298.430 3.776 30 20 CHED CC[C@@H](C)[C@@H](C)NCc1cccc(OCCCC#N)c1 236936287 FQTLZJXXUSGBHS-HUUCEWRRSA-N 274.408 3.893 30 20 CHED N#CCC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 246986913 WFERSJUDEJRBBQ-LLLHUVSDSA-N 282.387 3.584 30 20 CHED C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)Sc1ccccc1 248789375 IQPDWFWABMHGEI-RBSFLKMASA-N 274.433 3.839 30 20 CHED Cc1cc(C)nc(NN=Cc2ccc3ccccc3c2)n1 254762207 BICSTGBORYIXQV-UHFFFAOYSA-N 276.343 3.693 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(N(C)C)cc2)c1 255227010 MTXUPPJFPQIARZ-GHXNOFRVSA-N 295.382 3.795 30 20 CHED C=C(C)[C@H](CC(=O)N(C1CC1)[C@@H](C)c1ccco1)OCC 270043684 KKDREWKXAVQKSK-BBRMVZONSA-N 291.391 3.703 30 20 CHED C#CCCCSc1nnc(-c2ccc(C)cc2C)o1 270878111 NUFOXMGENWOOEE-UHFFFAOYSA-N 272.373 3.859 30 20 CHED C[C@@H](NCCC[C@@H]1CCCCO1)c1ccc(C#N)c(F)c1 274070164 UWAHIJBBAQBPLB-CJNGLKHVSA-N 290.382 3.697 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1csc(C(C)C)n1 280824019 NSYVOEFKTCVQFV-IPYPFGDCSA-N 294.464 3.898 30 20 CHED C#CCCCCNC(=O)CC(C)(C)CC(=O)c1ccccc1 281884417 QPORZJKWNVKMCG-UHFFFAOYSA-N 299.414 3.595 30 20 CHED C#C[C@@H](C)NC(=O)Nc1c(CCC)cccc1C(C)C 287091584 IZZWVTNTCBBPHZ-CYBMUJFWSA-N 272.392 3.906 30 20 CHED C#CCC(C)(C)c1nc(Cc2ccc(F)cc2Cl)no1 290093951 LPVLRSJCMGERQO-UHFFFAOYSA-N 292.741 3.754 30 20 CHED Cc1nc(N[C@H]2CCCOc3ccccc32)ccc1C#N 291587998 HEEOJCNMCOUUQZ-HNNXBMFYSA-N 279.343 3.588 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)CCCC#N 291895987 KNXBITKMWFAYAJ-CXAGYDPISA-N 270.376 3.510 30 20 CHED CCc1nc(C(C)C)ccc1COC(=O)CCCC#N 293024618 KUILHQSMNJKCGR-UHFFFAOYSA-N 274.364 3.504 30 20 CHED N#Cc1ccccc1CNc1ccc([C@H]2CCOC2)cc1 293056679 RXYMOFAOIRHDIE-KRWDZBQOSA-N 278.355 3.674 30 20 CHED C#CCCCCC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 293395289 PKNOUVHYOPOHMO-SFHVURJKSA-N 283.415 3.759 30 20 CHED Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1C 294219855 KGLVXNIVFQSCJH-KRWDZBQOSA-N 268.360 3.716 30 20 CHED C=CCC[C@@H](C)Nc1cccc(NC(=O)N(C)C)c1 295169168 FVAHBWNXDRJWFC-GFCCVEGCSA-N 261.369 3.547 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1cccc(C2CC2)c1 295608384 PUPJFYPARDPWJW-FSPWUOQZSA-N 299.414 3.722 30 20 CHED N#CCCN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 298431633 GKQBRUCXJCXYIK-INIZCTEOSA-N 280.375 3.517 30 20 CHED N#CCCN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 298431636 GKQBRUCXJCXYIK-MRXNPFEDSA-N 280.375 3.517 30 20 CHED C[C@H](C[C@H](O)c1ccccc1)Nc1cccc(F)c1C#N 301622539 DXHUADRYCUNOSX-PXAZEXFGSA-N 284.334 3.621 30 20 CHED N#Cc1cccc(Cl)c1N1CCc2ccc(F)cc2C1 301745304 OBQYETPEYUVNSX-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CC[C@H](C)[C@H](C)Nc1ccc2cc(C#N)ccc2n1 301988772 WLPDFIHURCBPKW-RYUDHWBXSA-N 253.349 3.953 30 20 CHED N#Cc1ccc(N[C@H](c2ccc(F)cc2)C2CCCC2)nn1 302010656 WDSMXERIPBNVPZ-KRWDZBQOSA-N 296.349 3.831 30 20 CHED CC[C@@H](CC#N)Nc1nc(C(F)F)nc2ccccc12 302128091 AFMBLARNONDNFP-VIFPVBQESA-N 276.290 3.672 30 20 CHED C[C@@H]1CCN(c2cc(Cl)ccc2C#N)CCS1 302715220 FQSAOVYLIMJXEC-SNVBAGLBSA-N 266.797 3.543 30 20 CHED N#Cc1cccc(Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)n1 302732285 MZDFOOAUXDNRTD-GUYCJALGSA-N 290.370 3.686 30 20 CHED CCC(CC)(CC)C/N=C(/N)Nc1cccc(OC)c1 305016082 DXMDGZLOMVEGBH-UHFFFAOYSA-N 277.412 3.638 30 20 CHED N#CCOc1cccc(CNC(C2CCC2)C2CCC2)c1 324909357 JFNCNMKFBRLTHT-UHFFFAOYSA-N 284.403 3.647 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2ccc3scnc3c2)CCC1=O 328935763 FPXCUEXCFKWNTJ-NXEZZACHSA-N 288.372 3.890 30 20 CHED Cc1cc(C)cc([C@@H](C)/N=C(/O)c2nc(C)oc2C)c1 330480373 POICRIWHMBMEGL-LLVKDONJSA-N 272.348 3.974 30 20 CHED Cc1ccccc1C1(C(=O)NCC(C)(C)C#N)CCCCC1 330820377 OSURMDIIARAQAG-UHFFFAOYSA-N 298.430 3.863 30 20 CHED CC[C@@H](/N=C(/O)Nc1c(C)cccc1C)C1CCOCC1 331005388 XJHHOYXKTBWVGZ-OAHLLOKOSA-N 290.407 3.835 30 20 CHED CS[C@@H](C)C/N=C(/O)Nc1ncc(C(C)(C)C)s1 331294106 REXTXZWXVITBPC-QMMMGPOBSA-N 287.454 3.518 30 20 CHED CCCCn1ncc(N/C(O)=N/[C@H]2CC[C@H](C)CC2)c1C 331344498 ZYOACRFPLHECBK-MQMHXKEQSA-N 292.427 3.896 30 20 CHED Cc1c(Cl)cccc1NC(=O)N1CCC(CC#N)CC1 334369630 UWZCIYVNVJVRQJ-UHFFFAOYSA-N 291.782 3.806 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3c(c2)CCCC3=O)CC1 334724358 FRTGOXRFNDVOTR-UHFFFAOYSA-N 298.386 3.636 30 20 CHED Cc1ccsc1C(=O)Nc1scc(C)c1C#N 335142224 ZKTSPLYBASKGOQ-UHFFFAOYSA-N 262.359 3.550 30 20 CHED C=CCCC(=O)Nc1ccc(-c2nccs2)cc1 338619015 CNAWFDRDKKCSGO-UHFFFAOYSA-N 258.346 3.715 30 20 CHED CSCC[C@](C)(C#N)NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 344686227 WXTDEKGVFJGFGA-WOSRLPQWSA-N 296.480 3.600 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)[C@@H](C)CCC(C)(C)C 344689241 YRAINAIDPINMHR-WFASDCNBSA-N 284.469 3.600 30 20 CHED N#CC1(CSc2nnc(-c3cccc(Cl)c3)o2)CC1 349141753 FPSKWIKJNZVREN-UHFFFAOYSA-N 291.763 3.786 30 20 CHED COc1ccc(C#N)cc1NCc1ccsc1C 352822841 HNGJBKKSQLUKJO-UHFFFAOYSA-N 258.346 3.549 30 20 CHED CCS[C@H]1CCCCN(Cc2cccc(C#N)c2F)C1 352893286 NIARTIOTYGYITO-HNNXBMFYSA-N 292.423 3.805 30 20 CHED CC[C@@H](C)CCC(=O)Nc1nc2cc(C#N)ccc2n1CC 354505437 TTXOJUASZMVAIT-GFCCVEGCSA-N 298.390 3.693 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 355649427 ZPMAVWNZQMOOEL-KBXCAEBGSA-N 297.402 3.753 30 20 CHED CCC[C@H](Cc1ccccc1)N(CCC)C(=O)CC#N 356195176 SHFPFENHOARNRG-MRXNPFEDSA-N 272.392 3.550 30 20 CHED C=C(CC)CSCc1nnc(-c2ccccc2)o1 358638158 VLZMYPHLHABPCE-UHFFFAOYSA-N 260.362 3.936 30 20 CHED C[C@@H](c1cccs1)N(C)c1ncc(C#N)cc1Cl 358868280 GXXMIMLMJZDLGE-VIFPVBQESA-N 277.780 3.866 30 20 CHED CS[C@@H](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 358933335 PMTSRZSWZOFXJR-VIFPVBQESA-N 282.796 3.682 30 20 CHED C=CCN(CCC#N)C(=O)c1cc(F)c2ccccc2c1 359445190 JVEDJOQXCZPOIG-UHFFFAOYSA-N 282.318 3.521 30 20 CHED C=CCC1(C(=O)N[C@@H]2CSc3ccccc32)CCC1 359480160 HPXRQZWXZKNXTQ-CYBMUJFWSA-N 273.401 3.696 30 20 CHED CC(C)n1nc(-c2ccccc2)cc1NC(=O)CCCC#N 361789947 YMLIZBATLIGCAF-UHFFFAOYSA-N 296.374 3.763 30 20 CHED COCCN(Cc1ccc(CC#N)cc1)C[C@@H]1CC=CCC1 362234170 HBAQFQZZEZGOSO-GOSISDBHSA-N 298.430 3.557 30 20 CHED CCC(C)(C)CC(=O)Nc1ccnn1-c1ccc(C#N)cc1 362604021 XPIDGPLALHKMEX-UHFFFAOYSA-N 296.374 3.509 30 20 CHED C=C[C@H](C)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 362613318 KBSZIJYUQXVAPY-QMMMGPOBSA-N 280.780 3.701 30 20 CHED C=CCCCC(=O)N1CC[C@@](C)(c2ccccc2)C1 364050479 JMPRDUWSOGVOAC-QGZVFWFLSA-N 257.377 3.533 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccccc1-c1nnc(C)o1 364082865 RPHGAZSUFMREOO-LLVKDONJSA-N 285.347 3.586 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 375901326 MBUJTOUEBZCUPO-FRFSOERESA-N 288.366 3.518 30 20 CHED CC1=C(C)CN(c2c(C#N)cnc3ccccc23)CC1 383017625 KRJVOTQAUFJKSF-UHFFFAOYSA-N 263.344 3.653 30 20 CHED CC(C)N(CCC#N)Cc1ccccc1C(F)(F)F 388927829 RXCPINFQMUKDKS-UHFFFAOYSA-N 270.298 3.829 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 410627154 RZTUPCDUCLMBRU-FZKQIMNGSA-N 299.418 3.716 30 20 CHED CO[C@@](C)(C1CC1)[C@@H](C)NCc1ccc(C#N)cc1Cl 411968420 JPPIMEQMQFCFFD-BDJLRTHQSA-N 292.810 3.505 30 20 CHED N#CCCSCCOc1ccc(F)cc1Cl 413016204 VQDXIMIZYLLRRM-UHFFFAOYSA-N 259.733 3.505 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(C#N)c1 413105356 NQAORAYTLVXRJN-HZPDHXFCSA-N 299.418 3.572 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@@H](C)CC(F)(F)F)c1 417205305 HQRGWJYXQMLSSP-JTQLQIEISA-N 299.296 3.577 30 20 CHED CC1(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCCC1 419451441 CWIVHYPFOJTNNB-MRXNPFEDSA-N 297.402 3.568 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1cccc(F)c1 421870524 FLGGVYRKNPMJPK-OAHLLOKOSA-N 274.364 4.000 30 20 CHED C=CCCc1noc(CCc2cccc(OC(F)F)c2)n1 424357615 DZXGUHBBJUBKJC-UHFFFAOYSA-N 294.301 3.575 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2ccccc2F)C1 424655989 XEXCULVZXSVGRV-ZDUSSCGKSA-N 275.367 3.744 30 20 CHED N#CCCCC(=O)Nc1cc(Cl)ccc1OC(F)F 425053563 YCOFCQFTIIBEGC-UHFFFAOYSA-N 288.681 3.574 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[C@H](C)CC1 425675374 CKHRKQDQMQRUKH-CKEIUWERSA-N 299.418 3.839 30 20 CHED CSC[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 429277898 HPHFDCJXQUIETO-HNNXBMFYSA-N 293.863 3.767 30 20 CHED C=CCN(CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 430084968 LEASPSGIMMJJOR-UHFFFAOYSA-N 286.272 3.746 30 20 CHED C=CCN(CCC#N)Cc1ccccc1OCCCC 430099745 FLPQRZJEYVCUPG-UHFFFAOYSA-N 272.392 3.767 30 20 CHED CC[C@H](C)[C@H](NC(=O)Nc1cccc(C#N)c1)C(F)(F)F 436109831 AXWSBLFHUCAXSP-CABZTGNLSA-N 299.296 3.657 30 20 CHED C=C(C)COc1cc(CN[C@H]2CC[C@H](C)C2)ccc1OC 436415016 TVRGYNALUSBPLW-HOCLYGCPSA-N 289.419 3.928 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc2ccn(C)c12 439389412 RWOIZWIPQVLHGE-ZDUSSCGKSA-N 271.364 3.655 30 20 CHED C[C@H](CC(=O)N(C)c1ccc(C#N)cc1)c1cccc(F)c1 439944156 SECGWYBXAMAQHX-CYBMUJFWSA-N 296.345 3.854 30 20 CHED C=CC[C@H]1N(Cc2cscn2)CCCC1(C)C 444788046 ZVKUKSOUNPCBFS-CYBMUJFWSA-N 250.411 3.710 30 20 CHED C=CCCCNC(=O)NCCCCc1ccc(F)c(F)c1 447992569 PEPSPBBPUOSJEQ-UHFFFAOYSA-N 296.361 3.553 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(C(C)C)c1 448584691 ZVIYERLRDLHOKT-UHFFFAOYSA-N 267.332 3.571 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(F)c(Br)c1 449989719 QBBCOBNADDIUPO-UHFFFAOYSA-N 286.144 3.739 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@H]2SCC)CCCC1 450090094 UDWYZYOWROCLER-UONOGXRCSA-N 281.465 3.913 30 20 CHED CCC[C@@H](OC)c1noc(/C=C\c2ccccc2C#N)n1 453203159 QAMZXJKYPMPTAJ-CFYYFVFUSA-N 283.331 3.599 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cccc(-c2ccncc2)c1 453363062 QGYHJXHNAPGSGO-HNAYVOBHSA-N 296.414 3.726 30 20 CHED CC(C)(NC(=O)Nc1cccc(CC#N)c1)c1cccs1 455925569 XQHNMXHPGAXKGE-UHFFFAOYSA-N 299.399 3.871 30 20 CHED C=CCOc1ccc(CNC(=O)C2=CC[C@@H](C)CC2)cc1 456021749 AGNCAYMNNMYWMO-CQSZACIVSA-N 285.387 3.614 30 20 CHED C[C@H](NC(=O)c1ccc(CC#N)cc1)[C@H]1CCC[C@@H](C)C1 456996023 HTUUVXFUBGKMNI-KEYYUXOJSA-N 284.403 3.697 30 20 CHED C[C@H](CC(=O)NCC(C)(C)CC#N)C1CCCCC1 457989935 OMTIEEFKBSUYTO-CYBMUJFWSA-N 264.413 3.649 30 20 CHED N#Cc1cc(N(C#N)C[C@@H]2C[C@H]2c2ccccc2)ccc1F 460873324 CRBDKCZZFDMNKK-RDJZCZTQSA-N 291.329 3.789 30 20 CHED C=Cc1ccc(CCNc2snc(C)c2C#N)cc1 461868126 ZGCFPKOLUNYCGK-UHFFFAOYSA-N 269.373 3.621 30 20 CHED CCCN(CC(C)C)C(=O)[C@H](C)c1cccc(C#N)c1 461908906 SAMOOCCNGWDHGA-CQSZACIVSA-N 272.392 3.556 30 20 CHED CCOc1ccccc1CN(C)c1ccc(F)cc1C#N 462381383 VLZAPSQKFKAKCZ-UHFFFAOYSA-N 284.334 3.732 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H](O)C1CCCCC1 462805537 VCHQDUMNHQOGLS-CQSZACIVSA-N 278.783 3.565 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(OCCC)c(OCCC)c1 465100743 CNMJFRWPGLZLEI-ZDUSSCGKSA-N 291.391 3.569 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCCc1cccc(C#N)c1 467434143 UEXINWDDMNPOPK-JKIFEVAISA-N 256.393 3.515 30 20 CHED C[C@@H](CCNC(=O)c1cccc(CC#N)c1)CC(C)(C)C 468104481 XDNIIDJQPMWBOJ-AWEZNQCLSA-N 286.419 3.945 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc2C1 468291507 PVRNCEIZNCDFQU-SFHVURJKSA-N 294.373 3.687 30 20 CHED CCc1cccc(CNc2cc(C#N)ccc2OC)c1 468783469 BFXYVYYDUYZYPZ-UHFFFAOYSA-N 266.344 3.741 30 20 CHED C=C(C)CN(C)C(=O)CCSc1ccc(C)c(C)c1 479208837 AYIZWMIOEDFIKA-UHFFFAOYSA-N 277.433 3.820 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 480316675 CEPMGHBQZUOTBV-CQSZACIVSA-N 279.424 3.587 30 20 CHED C=C(C)[C@H](NCCCOCC)c1ccc(F)c(F)c1 481599059 OLZTXBGKFPUHSX-HNNXBMFYSA-N 269.335 3.598 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)s1 486809571 GBVDUGAGWUKBMG-QWHCGFSZSA-N 290.432 3.954 30 20 CHED Cc1nc(N2C[C@H]3CC[C@H]2c2ccccc23)ccc1C#N 487754873 MSQFKXWBYUMVQK-PBHICJAKSA-N 275.355 3.700 30 20 CHED C=C(C)CNC(=O)N(CCC)[C@H]1CCc2ccccc21 488575838 LVPOUZSINAVTCO-INIZCTEOSA-N 272.392 3.672 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(F)cc1Cl 488843315 LSOCXKHQLALBQS-NSHDSACASA-N 267.731 3.660 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2ccccc2nc1C 488865939 FFLZFPIRBUIMPA-HNNXBMFYSA-N 280.371 3.724 30 20 CHED C=C[C@@H]1CCCCN1CCCOCc1ccccc1 489450487 RBMGNDYDFABXLJ-QGZVFWFLSA-N 259.393 3.634 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)C(F)(F)C1 494260360 UVNUWLHDOREYQD-NEPJUHHUSA-N 264.319 3.596 30 20 CHED C=C(CNC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21)c1ccccc1 512671188 DSEPBRIWJODZTO-CGTJXYLNSA-N 298.430 3.920 30 20 CHED CC(C)(C#N)CC[S@](=O)c1cc(Cl)ccc1F 514683297 RUNBDHNCAAYHJD-KRWDZBQOSA-N 273.760 3.527 30 20 CHED Cc1ccn2cc(CNc3cccc(Cl)c3C#N)nc2c1 515923150 UTOGTFRHLWRSEE-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=CC1CCN(C(=O)c2sc(C(C)(C)C)nc2C)CC1 521096525 PKFIOILYGCVDND-UHFFFAOYSA-N 292.448 3.787 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(Cl)cn1 521473083 UPVIYYYDNXCEEI-NSHDSACASA-N 252.789 3.988 30 20 CHED C[C@@H](N(C)C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)(C)C 530281104 DIWULRDRNMXGTI-CYBMUJFWSA-N 286.419 3.994 30 20 CHED N#Cc1csc(C(=O)N[C@@H](c2cccs2)C2CC2)c1 531446944 SDBXHQUXQGCMIL-CYBMUJFWSA-N 288.397 3.562 30 20 CHED CC(C)c1ccc(-c2noc(Cn3ccc(C#N)c3)n2)cc1 533679813 YPWUFBALAOPXJM-UHFFFAOYSA-N 292.342 3.581 30 20 CHED CCOc1cccc([C@@H](C)NCC#Cc2ccc(F)cc2)c1 538177369 TYIOPDWTPDELLP-OAHLLOKOSA-N 297.373 3.927 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)NC1CCCCC1 539093789 NVGAZNRLEJGOFE-LBPRGKRZSA-N 255.427 3.523 30 20 CHED COc1ccc(C#N)cc1NC1CC(c2ccccc2)C1 544039536 MBPBNFBFYPPAAX-UHFFFAOYSA-N 278.355 3.925 30 20 CHED CC(C)(NCCOc1cccc(C#N)c1)c1cccs1 544470855 GMJUMWCKIDIPDU-UHFFFAOYSA-N 286.400 3.523 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1c(C)cccc1C 546205537 OKCGZUJSNWVILT-OAHLLOKOSA-N 272.392 3.748 30 20 CHED COc1cc(C#N)ccc1NC(=O)NCCCC(C)(C)C 547418171 ZFDSAUMGKDBSIX-UHFFFAOYSA-N 289.379 3.515 30 20 CHED C=C(C)[C@H](NC(=O)N1CCC1(C)C)c1ccc(F)c(F)c1 548185966 HQELXMHOBOQKCA-AWEZNQCLSA-N 294.345 3.776 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2ccccc2CC#N)cc1 549715456 MCYMILKZNGPJLY-OAHLLOKOSA-N 292.382 3.878 30 20 CHED COc1ccsc1[C@H](C)NC1(c2cccc(C#N)c2)CC1 551570318 MSTMLDLYEDUDRA-LBPRGKRZSA-N 298.411 3.968 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](F)C1 554343455 WEGMZJRFTVAPRX-CVEARBPZSA-N 290.382 3.665 30 20 CHED C=CCN(Cc1cnc2n[nH]c(C)c2c1)CC1CCCCC1 556877365 RAKMZEQKZPEXEX-UHFFFAOYSA-N 298.434 3.835 30 20 CHED CC#CCN(C)C(=O)C1(Cc2cccs2)CCCCC1 558047296 FWZVQBKCRTZZQO-UHFFFAOYSA-N 289.444 3.723 30 20 CHED C=C(C)CCc1noc(Cc2ccccc2CC)n1 558388194 JMMLVIJMHROZKP-UHFFFAOYSA-N 256.349 3.732 30 20 CHED C=C(C)CCNc1cc(C)ccc1-n1cc(C)cn1 561852195 WOXZBBGILRCNOR-UHFFFAOYSA-N 255.365 3.867 30 20 CHED C=C[C@@](C)(CC)c1nc(C2Cc3ccccc3C2)no1 561889895 XSSRMYAEXDWECW-KRWDZBQOSA-N 268.360 3.806 30 20 CHED COc1ccc2oc(CN3CCCC(C)(C)[C@H]3C#N)cc2c1 562489587 UKPUDGSQWGKLQV-QGZVFWFLSA-N 298.386 3.956 30 20 CHED CC(C)CCOc1c(Br)cccc1CC#N 563731474 MNROCFSXZOPQIS-UHFFFAOYSA-N 282.181 3.940 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@H](C)CN(C)Cc1ccccc1 564148052 LNLVUHGVSYEDFJ-BRWVUGGUSA-N 274.452 3.697 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(CC1CC1)CC1CC1 564379165 ULQDLHYFISZJPV-CYBMUJFWSA-N 288.439 3.604 30 20 CHED COCC1(CSc2cccc(F)c2C#N)CCC1 569140503 JZJOUHQGQWOPIH-UHFFFAOYSA-N 265.353 3.606 30 20 CHED FCCCCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 569948174 IVRLEJIESNPWNJ-UHFFFAOYSA-N 295.242 3.943 30 20 CHED C[C@H](NC(=O)NCC1(C#N)CCC1)c1ccc(C2CC2)cc1 570188759 NSLUPRDQLQEIFB-ZDUSSCGKSA-N 297.402 3.618 30 20 CHED CC[C@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 572946170 LNVBHAGURNMKPL-RMHZUWNSSA-N 272.392 3.555 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 574673306 HZWWLFAWCLJVTE-OWLYRPNTSA-N 296.414 3.756 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 586818047 PAFNDSOACNPMSE-BBRMVZONSA-N 297.402 3.777 30 20 CHED N#CCCCCCC(=O)Nc1ccc2[nH]ccc2c1 588274557 JZSKXALBAYQCOK-UHFFFAOYSA-N 255.321 3.580 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1ccsc1 588386716 ZWKLKNGRWOKYJG-SREVYHEPSA-N 274.341 3.661 30 20 CHED N#CCCCCCC(=O)Nc1ccccc1OCC(F)F 588756236 UAKHGIKAUITAFC-UHFFFAOYSA-N 296.317 3.743 30 20 CHED COCc1ccccc1/C=C(/C)CN1CCC[C@@](C)(C#N)C1 590362460 KOZLSFGIMRLEBH-QMDZLVRISA-N 298.430 3.862 30 20 CHED C=CCOCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 591108594 LGBGNMYPHZCCAI-UHFFFAOYSA-N 287.403 3.504 30 20 CHED CCC[C@H](Nc1ncc2c(c1C#N)CCC2)c1ccccn1 591819545 OCORMYPVJLGSRJ-KRWDZBQOSA-N 292.386 3.790 30 20 CHED CCCC[C@@H](CC)CC(=O)N(C)c1ccc(C#N)nc1 593273586 NMBLZASCGHZORV-CYBMUJFWSA-N 273.380 3.523 30 20 CHED CC(C)N(CCC#N)C(=O)c1coc2ccc(Cl)cc12 593445143 VZXFDPUUARBODS-UHFFFAOYSA-N 290.750 3.850 30 20 CHED CC[C@H](C#N)C(=O)N1CCCC[C@H]1CCCc1ccccc1 593547218 OTDKBTZOKNPFJU-MSOLQXFVSA-N 298.430 3.940 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C(C)(C)C)C1 594003964 JUGMXSXVNNHSMU-YOEHRIQHSA-N 298.430 3.631 30 20 CHED C=CCCSCCN[C@H](C)Cc1ccc(OC)cc1 595060966 WVOIYAIRQFGROI-CQSZACIVSA-N 279.449 3.525 30 20 CHED C[C@@H](C#N)N(C/C=C/c1ccc(Cl)cc1)C1CC1 595710001 LMLSCMVDNJNGSV-JDGPPOGSSA-N 260.768 3.730 30 20 CHED C=C[C@](C)(CC)c1nc(CC2(CSC)CC2)no1 596608209 FFBYDLJZXQJHEB-CYBMUJFWSA-N 266.410 3.609 30 20 CHED N#CC1(CC(=O)NCc2cccc(Cl)c2)CCCCC1 596627010 UPINQILNQLZRQO-UHFFFAOYSA-N 290.794 3.820 30 20 CHED N#CC1(CC(=O)N[C@H]2CC23CCCCC3)CCCCC1 597465748 KSSJNDXIBIUBGD-AWEZNQCLSA-N 274.408 3.690 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCc2ccc(C(C)C)cc2C1 597963550 NBFPAQCJEZVXCG-SFHVURJKSA-N 284.403 3.635 30 20 CHED CCC(C#N)(CC)C(=O)NCCc1ccc2ccccc2c1 599056789 OFRSLXMMFIOVRD-UHFFFAOYSA-N 294.398 3.828 30 20 CHED CCCOc1ccc(NC(=O)C2(C#N)CCCC2)cc1F 600699574 BOVAJQHJAHMFRL-UHFFFAOYSA-N 290.338 3.637 30 20 CHED N#Cc1cc(-c2ccc3c(c2)CCCC[C@H]3N)ccc1O 600780630 SPYFQVURIPPGNP-QGZVFWFLSA-N 278.355 3.657 30 20 CHED N#Cc1cc(F)cc(NCc2nc3c(s2)CCCC3)c1 601063438 AAZMVJHREOWZJN-UHFFFAOYSA-N 287.363 3.645 30 20 CHED N#CCCOCCOc1c(Cl)ccc2ccccc12 601088174 LYWQMEVVJHBPGP-UHFFFAOYSA-N 275.735 3.802 30 20 CHED C[C@@H](N[C@@H]1CCCc2ncccc21)c1cccc(C#N)c1 601267394 XGEJWJNOIKLQTH-FZKQIMNGSA-N 277.371 3.681 30 20 CHED CC(C)(CNC(=O)c1ccccc1CC#N)C1=CCCC1 601626036 UKODARBOZGPEEW-UHFFFAOYSA-N 282.387 3.619 30 20 CHED C[C@@H](CCC#N)CNC1CCN([C@@H](C)c2ccccc2)CC1 602553886 XNADGYBTCAQNPL-IRXDYDNUSA-N 299.462 3.741 30 20 CHED N#CCc1cccc(N[C@H](c2nc[nH]n2)C2CCCCC2)c1 602682942 VISIATVZUBJHOT-INIZCTEOSA-N 295.390 3.604 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)cc1OCCC 604905558 HAZHMDVNIUTRJE-ZDUSSCGKSA-N 276.380 3.870 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1csc2c1CC[C@H](C)C2 608821037 KRINWYPCSQLWTP-RYUDHWBXSA-N 290.432 3.541 30 20 CHED Cc1occc1CNCc1cccc(OCCCC#N)c1 608861061 MUTFGLUWCSSESU-UHFFFAOYSA-N 284.359 3.560 30 20 CHED CC[C@@H](CC(=O)N[C@H](C)c1cccc(C#N)c1)C(C)C 610360555 ZETOHAAFSZVUEI-HIFRSBDPSA-N 272.392 3.808 30 20 CHED CCc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 610363468 ZUCCTHJVEAYXBH-CYBMUJFWSA-N 278.355 3.612 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCc3ccccc3C2)s1 610511471 IKSRAMDKISGJKL-CYBMUJFWSA-N 282.412 3.514 30 20 CHED N#C[C@@H](Cc1ccccc1)SCc1ccc([N+](=O)[O-])cc1 611081040 JIJGVPVTJAMHLH-MRXNPFEDSA-N 298.367 3.963 30 20 CHED CC(C)(C)CCCCNC(=O)N1CCC[C@](C)(C#N)C1 612121877 RNDZKQOZNGODAL-MRXNPFEDSA-N 279.428 3.538 30 20 CHED CCc1cc(C)nc(Nc2cccc(OCCCC#N)c2)n1 613268872 LUCKDASWDVBBPI-UHFFFAOYSA-N 296.374 3.774 30 20 CHED COC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccco1 613427262 XVWNOQNMXDXQRG-CYBMUJFWSA-N 299.374 3.643 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)N1CCC[C@](C)(C#N)C1 614963385 AZZWYGXAQALGLP-RDTXWAMCSA-N 268.404 3.862 30 20 CHED C=CCN(C(=O)CC[C@H](C)c1ccccc1)[C@@H](C)COC 617580764 DXPXRRISNPGRIT-HOTGVXAUSA-N 289.419 3.620 30 20 CHED C=CCN(C(=O)c1cccc(C2CCC2)c1)[C@H](C)COC 617582562 PPZGHXBCQJWRHS-CQSZACIVSA-N 287.403 3.617 30 20 CHED C=CCCNC(=O)c1cccc(N[C@H](C)C(C)C)c1C 617616408 WDSXSTBMNZDLRZ-CQSZACIVSA-N 274.408 3.757 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3cc(C)ccc3n2)C1 617778842 PLNFUXSJYQNHDB-OAHLLOKOSA-N 294.398 3.972 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2c(F)cccc21 618802941 GHUPUCWLOFRFIS-OALUTQOASA-N 292.357 3.962 30 20 CHED C[C@H](CN[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 618831422 QDLPCQOJPDKOFW-KUHUBIRLSA-N 276.383 3.939 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(F)c1Cl 620858479 HTCFDWSTRKWCJC-UHFFFAOYSA-N 269.747 3.954 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cncc(OCC)c1 621363730 WCFWZIQAWXWREP-GOSISDBHSA-N 296.414 3.757 30 20 CHED C=CCCCNC(=O)Nc1ccc(OCCC)c(OC)c1 627141039 YFXNKARTQFCENI-UHFFFAOYSA-N 292.379 3.572 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2ccccc2C)C1 628062283 BCEVTTZITNODKL-SJORKVTESA-N 285.431 3.988 30 20 CHED C=CCN(C(=O)c1cccc(C)c1O)c1ccccc1 641896887 MEFWFAVEKIKKPQ-UHFFFAOYSA-N 267.328 3.533 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(Cl)c(C)c1 654299485 HIMDALULBFBRCE-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C=CCCN[C@@H](C)Cc1ccc(F)cc1Br 657584133 YOCBZMNRJZHQBA-JTQLQIEISA-N 286.188 3.685 30 20 CHED C=CCC1(NCc2ccsc2Cl)CCOCC1 657632887 AUINXQRPEZOOLT-UHFFFAOYSA-N 271.813 3.616 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCC1CC(OCC)C1 657986463 MQKXGODDBVWFOK-ODZFXCKXSA-N 265.441 3.916 30 20 CHED C=CCC[C@@H](CCC)NCc1c(C2CC2)cnn1C 658213475 PGRDIQGKDBXDAQ-CQSZACIVSA-N 261.413 3.522 30 20 CHED C=CC[C@@H]1CCCN(Cc2oc(CCC)nc2C)C1 661383505 DJJZZGNRUNDYEP-CQSZACIVSA-N 262.397 3.724 30 20 CHED C=CCCNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 661565753 SDEOLMHDAJZDGB-CQSZACIVSA-N 296.773 3.806 30 20 CHED C=C(C)CNC(=O)Nc1cc(C)ccc1C(F)(F)F 667940687 LFCZOZQHOMJSJT-UHFFFAOYSA-N 272.270 3.711 30 20 CHED C=CCN(Cc1nnc(CC)s1)CC1CCCCC1 680052629 IBMURSDOKSCJLO-UHFFFAOYSA-N 279.453 3.669 30 20 CHED C=CC[C@H](CC)NC(=O)CCCCCc1ccc(O)cc1 684999457 WEWOVBPLRWJXGP-INIZCTEOSA-N 289.419 3.966 30 20 CHED C=CC[C@@H]1N(c2nnc(C(C)(C)C)n2C)CCCC1(C)C 685518084 WLIPQUDDSVVCON-ZDUSSCGKSA-N 290.455 3.684 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc2c(F)cccc2s1 700605023 GLVJHCXKXMZUOU-SNVBAGLBSA-N 275.348 3.572 30 20 CHED N#CCOc1ccc(N[C@@H](C2CCC2)C2CC2)cc1 705385365 PYQJHBBCMXQOTG-INIZCTEOSA-N 256.349 3.580 30 20 CHED C#Cc1cccc(NC(=S)N2CC[C@H]2c2ccccc2)c1 726470831 VOWSTCBMGYTWSU-KRWDZBQOSA-N 292.407 3.812 30 20 CHED C=CCCC(=O)OCCOc1cccc2ccccc12 726657036 ZEOGQYRAFITLMS-UHFFFAOYSA-N 270.328 3.728 30 20 CHED C=CC[C@@H](C)C(C)=NNc1oc(C(C)(C)C)nc1C#N 727779051 XBHJAQBXSBCTKS-SNVBAGLBSA-N 274.368 3.844 30 20 CHED Cc1ccc(C(C)(C)C/N=C\c2ccc(O)c(O)c2O)cc1 728438087 OIZKFDWMUXXBMQ-GRSHGNNSSA-N 299.370 3.509 30 20 CHED COc1ccc2oc(C(C)=NNc3ccccn3)c(C)c2c1 729141159 WVKHZBSKVSWXIK-UHFFFAOYSA-N 295.342 3.981 30 20 CHED CC(CSC(C)(C)C)=NNc1cccc([N+](=O)[O-])c1 729632492 FUAGFEFGUXCCIK-UHFFFAOYSA-N 281.381 3.914 30 20 CHED Cc1c(C(=O)/C=C/c2cccs2)c(C#N)c2n1CCC2 730085098 NBLHKHDXXWZKCV-VOTSOKGWSA-N 282.368 3.572 30 20 CHED Cc1ccc(CN(Cc2ccc(OCC#N)cc2)C2CC2)o1 731211666 UDYGRMFLRJKARN-UHFFFAOYSA-N 296.370 3.655 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cnn(C(C)C)c2)c1 732714422 RRVZBHRSZJZIIF-CMDGGOBGSA-N 284.359 3.759 30 20 CHED CC(Cc1ccsc1)=NNc1cnnc2ccccc12 733748076 FRBNQRRZRDDQIV-UHFFFAOYSA-N 282.372 3.722 30 20 CHED C=CC[C@@H](NC(=O)N1CCC[C@@H]1C(C)C)c1ccncc1 734680865 RDYKPZVFZVAZPB-HZPDHXFCSA-N 287.407 3.529 30 20 CHED CC(C)c1ccc(C=NOCC2CCOCC2)cc1 735488409 JTRFCKFMBXEDND-UHFFFAOYSA-N 261.365 3.587 30 20 CHED C=CCN(C(=O)N[C@@H](C)CCC(C)(C)C)C(C)C 737060925 BTZYUTZVRINUGW-ZDUSSCGKSA-N 254.418 3.807 30 20 CHED COc1cccc(/C=N\CCc2cc(C)cc(C)c2)c1O 740763611 MOHNDMDWVHHBFR-UNOMPAQXSA-N 283.371 3.679 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2C[C@]2(C)c2ccccc2)c1 741465310 UHLITIBNAGZTCC-BLSACVOKSA-N 281.355 3.550 30 20 CHED C=CCNC(=S)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 743004289 IYAPUIRBULSEKS-HZPDHXFCSA-N 288.460 3.623 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1c(F)cccc1F 743461514 DBPNTKIQHLAXGG-MNOVXSKESA-N 284.302 3.550 30 20 CHED CC#CCOC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 744974418 HRKIEQQQTHMELK-RYUDHWBXSA-N 283.154 3.663 30 20 CHED CCOc1cccc([C@@H](C)/N=C\c2c(O)cccc2OC)c1 745013082 SQLOTGHUIMCVIO-CQLSMYGBSA-N 299.370 3.980 30 20 CHED CCCNN=C(Cc1ccccn1)c1ccc(Cl)cc1 745195340 IINFIDYVIMLJPJ-UHFFFAOYSA-N 287.794 3.681 30 20 CHED C[C@@H](C#N)OC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 745351278 HEXPYLRGVMMRIQ-MAUKXSAKSA-N 293.366 3.858 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ccnc(F)c1 748715302 XCGJHLNJYNIXHS-CYBMUJFWSA-N 280.387 3.947 30 20 CHED CC(=NNC(=S)Nc1ccccc1C)c1ccsc1 749099199 LJQSGOCRCYUXIX-UHFFFAOYSA-N 289.429 3.767 30 20 CHED C=CCOC(=O)CCOc1cc(C)ccc1C(C)C 751824533 YFKWPZFNVSSVDX-UHFFFAOYSA-N 262.349 3.617 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C2\CC[C@H](C)C2)s1 753640060 KFNQRQLWMJWENQ-VUBLIPMDSA-N 274.389 3.867 30 20 CHED C#C[C@@H](CC)NC(=O)c1sccc1-c1ccc(F)cc1 754367682 ZZUDXTXCELRFFO-ZDUSSCGKSA-N 287.359 3.696 30 20 CHED CCCCCCCCNC(=S)Nc1cnn(CC)c1 754683945 DFHXPHUXURURKT-UHFFFAOYSA-N 282.457 3.550 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)c(O)c1 755598324 HVFKEFPLBLDQDO-DJWKRKHSSA-N 290.265 3.575 30 20 CHED Cc1ccc(C)c(OCCN(CCC#N)CC(C)C)c1 755668525 DHFUCNDJEJSYRT-UHFFFAOYSA-N 274.408 3.554 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1[nH]c(-c2ccccc2)nc1C 755824717 YMLISPSFCGIQBC-OAHLLOKOSA-N 299.374 3.652 30 20 CHED C=C[C@@H](C)NC(=S)Nc1ccc2ccccc2c1 756800861 ZLOIHFYZXFKDFS-LLVKDONJSA-N 256.374 3.701 30 20 CHED Cc1nc(C#N)c(NN=C[C@@H](C)CC2CCCCC2)o1 758114323 ZVSLOXHIRSRSQH-NSHDSACASA-N 274.368 3.859 30 20 CHED FC(F)CON=Cc1ccc(-c2ccccc2)o1 758903121 AYLOKUHCDWPRLR-UHFFFAOYSA-N 251.232 3.562 30 20 CHED CC[C@H](C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 758912482 RUHAGRXSBAKVBC-INIZCTEOSA-N 297.329 3.934 30 20 CHED COc1cc(F)cc(NN=C(C)c2cccc(F)c2)c1 759213218 XGPAJWJAYQXFMJ-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CCC(CC)(CC)S[C@H](C)C(=O)NC1(C#N)CCC1 762972544 LBFANXZQKRDLIW-GFCCVEGCSA-N 282.453 3.639 30 20 CHED CCCCCCCCN1CCC([C@@H](O)C(F)(F)F)CC1 766137524 ZYNUXQPBCGMGTB-CQSZACIVSA-N 295.389 3.982 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1ccc(F)cn1 770602822 SPWGOROYEAKQNQ-UHFFFAOYSA-N 283.350 3.936 30 20 CHED C=CCN(C(=S)Nc1cccc(CC)c1)C1CC1 771549075 SUKQPOQQFQGNOQ-UHFFFAOYSA-N 260.406 3.596 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc(C#N)cc2F)c1 772805085 FPVJCZIQVLCALY-CMDGGOBGSA-N 295.313 3.992 30 20 CHED C=C(Cl)CN[C@H](Cc1ccccc1OC)C(C)C 773004963 MTHPZOMXLJXPMC-CQSZACIVSA-N 267.800 3.604 30 20 CHED C#CC[C@@H](N[C@H](C)Cc1ccccc1OC)c1ccccc1 773114792 JYZMEARDSXRTGC-VQIMIIECSA-N 293.410 3.980 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC2CCCC2)nc1 773297644 VGVVPILRVOEMSS-UHFFFAOYSA-N 286.375 3.535 30 20 CHED C=C(CC)COC(=O)c1cc(-c2cccc(F)c2)no1 773497762 OVZNIJMISOYRQP-UHFFFAOYSA-N 275.279 3.604 30 20 CHED CC(C)[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)c2ccccc21 774372496 YFOAKLZYXWRNEO-RBUKOAKNSA-N 291.398 3.927 30 20 CHED CC(C)CCSCC(=O)OCc1ccc(CC#N)cc1 776113412 FOQNQYYBKCCDJO-UHFFFAOYSA-N 291.416 3.575 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@H]1CCc2ccccc2C1 776794320 AWCFHSBQPFMSNF-FQEVSTJZSA-N 290.410 3.856 30 20 CHED C#CCNc1ccccc1Nc1ccc(F)cc1F 778621066 LQSDFTLYVJMOAA-UHFFFAOYSA-N 258.271 3.754 30 20 CHED Cc1cccc(C)c1C(=O)Nc1ccccc1O[C@@H](C)C#N 780170446 UZWZBQIWDLDLHG-AWEZNQCLSA-N 294.354 3.847 30 20 CHED CC(C)c1ccc(CC=NNc2ncncc2Cl)cc1 780281460 MGDJXWQQTIPJED-UHFFFAOYSA-N 288.782 3.894 30 20 CHED Cc1nnc(SCc2ccc(CF)cc2)c(C#N)c1C 781382491 XFCNZTWVOPFUSG-UHFFFAOYSA-N 287.363 3.727 30 20 CHED CC1(C)CC[C@@H](C(=O)OCc2cc(C#N)ccc2F)C1 781693708 HJMLBZIGJHKOLI-GFCCVEGCSA-N 275.323 3.567 30 20 CHED Cc1cc(COC(=O)/C=C\c2ccsc2)ccc1C#N 782120664 YEXWISXULVEWRL-HYXAFXHYSA-N 283.352 3.685 30 20 CHED N#Cc1cc(C(=O)OCc2cc(Cl)ccc2Cl)c[nH]1 783435209 WXAVUDNYCPNDQM-UHFFFAOYSA-N 295.125 3.550 30 20 CHED CCc1ccccc1CON=Cc1cccc(F)c1 783552162 GENAWEAYUDBCLK-UHFFFAOYSA-N 257.308 3.939 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H](C)[C@@H](C)CC)cc1C#N 783661838 WUOQBUOMQNUYOC-RYUDHWBXSA-N 289.379 3.973 30 20 CHED Cc1nc(C#N)c(NN=CCCCc2ccc(C)c(C)c2)o1 783832631 RWZSECHHJJRSSD-UHFFFAOYSA-N 296.374 3.892 30 20 CHED N#Cc1ccc(COC(=O)C23CCC(CC2)C3)c(Cl)c1 784243688 MYKVDIWHXPAZDG-UHFFFAOYSA-N 289.762 3.835 30 20 CHED C=CCCOC(=O)C1(Cc2ccccc2Cl)CC1 784278071 IUCWDCKTNIAXMV-UHFFFAOYSA-N 264.752 3.782 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](c1ccccc1)C1CCCC1 788037833 BJNORDLQTHUESQ-WMLDXEAASA-N 284.403 3.581 30 20 CHED CC[C@@H]1CCC[C@H](C=NN[C@@H](CO)c2ccccc2)C1 788456992 XTZHOFWKWWEAFN-VYDXJSESSA-N 274.408 3.512 30 20 CHED Cc1ccnc(NN=Cc2ccc(OCC3CC3)cc2)c1 790167602 UYJDSTLFCKNVTQ-UHFFFAOYSA-N 281.359 3.625 30 20 CHED CCc1nc(C)c(C(C)=NN[C@@H](C)C(C)(C)C)s1 793116011 QYSOHVGZFIZEBO-NSHDSACASA-N 267.442 3.762 30 20 CHED C(=NNCCCOc1ccccc1)c1ccc2occc2c1 794908652 IBEFLGATWDGONA-UHFFFAOYSA-N 294.354 3.825 30 20 CHED Fc1ccc(/C=C/C=NNc2ncncc2Cl)cc1F 794932318 DKMBWVOEXJMZDR-ITUCHRIJSA-N 294.692 3.519 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1ccccc1C1CC1)C2=O 794962316 NWYMBYQGVXYNIA-UVTDQMKNSA-N 278.355 3.510 30 20 CHED CCC(=NNc1ncccc1F)c1ccc(C)cc1 794991093 VNAJFPVNGNPREB-UHFFFAOYSA-N 257.312 3.755 30 20 CHED CC(C)(C)CCCOC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 795816210 HNCWOVGRCOABDO-INIZCTEOSA-N 298.386 3.610 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)OCC1(CC#N)CC1 797074189 MESJLZJPXLDFQN-CQSZACIVSA-N 296.370 3.514 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 797256096 YBIXUFGTZTYIBH-XPTSAGLGSA-N 278.377 3.565 30 20 CHED C=CC[C@H](CC)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C 798937192 PALWDQPDINGTRO-MCIONIFRSA-N 284.444 3.623 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(N3CCCCC3)cc2)C1 799720453 IKBJHMKZSVCKPQ-ZBFHGGJFSA-N 269.392 3.781 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cccc(CC)c1 806124079 WECMTDAKKQKOGM-UHFFFAOYSA-N 292.382 3.916 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2oc(C3CC3)nc2c1 806190622 BNVXHSAWKVXTBP-LBPRGKRZSA-N 297.358 3.629 30 20 CHED CC(C)C(=NN[C@@H]1CCSC1)C1CCCCC1 808002836 PJHQHHDFWWORLW-CYBMUJFWSA-N 254.443 3.674 30 20 CHED C#CCCCC(=O)Nc1ccc(-c2ccccc2)c(C)n1 811607570 QUARDPQITIOXPS-UHFFFAOYSA-N 278.355 3.799 30 20 CHED CC(C)(C)C1CCC(=NNC[C@H]2CCSC2)CC1 811661753 RZTQJGACCJCYRN-PZORYLMUSA-N 268.470 3.921 30 20 CHED CC1(C)CCC/C(=C\c2cccc(F)c2C#N)C1=O 811692406 FKYBEEZRALYTKL-FMIVXFBMSA-N 257.308 3.860 30 20 CHED C#C[C@H](NC(=O)C1(CC=C)CCC1)c1ccc(Cl)cc1 811948016 VRXCPIROTJGVOE-HNNXBMFYSA-N 287.790 3.877 30 20 CHED O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1=NOC1CCC1 812235179 OLCHHIPGZXTGCK-LBPRGKRZSA-N 288.347 3.863 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(F)ccc1OC 812244165 ZTFGVGQYFNPYJZ-XQRVVYSFSA-N 285.318 3.688 30 20 CHED C[C@@H](OC(=O)CCCC1CC1)c1ccc(C#N)cc1 812603126 JXCCTHCMWZUAIF-GFCCVEGCSA-N 257.333 3.743 30 20 CHED c1ccc(CN2C[C@@H]3CCCC(=NOCC4CC4)[C@H]3C2)cc1 814244553 ZPEHALWNZIAUIU-ROUUACIJSA-N 298.430 3.701 30 20 CHED CCC(=NNc1ccccn1)c1ccc(Cl)c(N)c1 814731845 LREWZZSPCCAYDD-UHFFFAOYSA-N 274.755 3.543 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cc(F)c(N)c(F)c1 814813579 UBWXPDDRLUOQTP-UHFFFAOYSA-N 297.255 3.661 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1ccc(N)nc1 814860730 KOIBYGNWRTYQSX-UHFFFAOYSA-N 295.173 3.807 30 20 CHED Fc1ccc(NN=C2CCCC23CCOCC3)c(F)c1F 814945901 VWAGYKVRBLMTEA-UHFFFAOYSA-N 298.308 3.853 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 815024726 LDOJTUKBPDORSG-GFCCVEGCSA-N 297.345 3.862 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1ccccc1C 815314269 MBMKCRGQSYVDCQ-NSHDSACASA-N 254.276 3.811 30 20 CHED C=CCC(F)(F)C(=O)NCC1(C)CCCCCC1 815965192 GZORIAQBOOVPFL-UHFFFAOYSA-N 259.340 3.675 30 20 CHED C=CCSc1ccccc1C(=O)OCC[C@@H]1CCOC1 816434879 CHFQKXRBUSOXBX-ZDUSSCGKSA-N 292.400 3.548 30 20 CHED C#C[C@@H](C)N(C)CC(c1ccccc1)c1ccccc1 816593367 PEWJHCXVSLBPIJ-MRXNPFEDSA-N 263.384 3.772 30 20 CHED C=CC[C@@H](CC)NCc1cc(Cl)c(F)cc1O 816598503 FTMPIOYQHJRLJO-SNVBAGLBSA-N 257.736 3.629 30 20 CHED C=CCSc1ccccc1C(=O)NOC[C@H](C)CC 816980283 IKIXWLFRHOYWTF-GFCCVEGCSA-N 279.405 3.672 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@@H](c2ccccc2)C1(C)C 817506967 PPEMYFXBEGGKLG-AWEZNQCLSA-N 293.357 3.993 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(C)c(O)nc2ccccc12 820501382 PVKGRCRCENOUHJ-UHFFFAOYSA-N 298.386 3.581 30 20 CHED C=C(C)CN(C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 824114186 QZUHHYVAFXFMLI-CABCVRRESA-N 296.455 3.530 30 20 CHED C=CCC1(c2nc(-c3cccc(N)c3)no2)CCCC1 834425008 GNWKWBKIEFPJPX-UHFFFAOYSA-N 269.348 3.707 30 20 CHED CCc1nocc1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 834434996 ZDHGKCIXYFOYBC-NCPSJORJSA-N 279.339 3.937 30 20 CHED CC(C)CC[C@H]1CCC(=NOC2CCOCC2)C1 834971389 DYCNOKPTRGEBSC-ZDUSSCGKSA-N 253.386 3.774 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccccc2)CCCC1 835230924 IJLNZCJYXHGTIZ-UHFFFAOYSA-N 272.344 3.549 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](CC)C(F)(F)F 835655877 YWAOREZLUOGXGY-JTQLQIEISA-N 250.260 3.639 30 20 CHED CC(C)c1ccc(CN(C(=O)C#CC2CC2)C2CC2)cc1 837318261 XSLRSDUCQITMLO-UHFFFAOYSA-N 281.399 3.714 30 20 CHED Cc1ccccc1COC(=O)[C@@]1(C#N)CC12CCCC2 837909430 QRPRHYHNZOZTAS-KRWDZBQOSA-N 269.344 3.512 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(C)n1C(C)C 839044655 PEERCXYNHHLDIQ-HUUCEWRRSA-N 288.391 3.925 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(-c3ccccc3)no2)C1 839048145 LMMAGOLSXOXRHM-GXTWGEPZSA-N 296.326 3.581 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@H]2C[C@]23CCc2ccccc23)C1 839050562 BZEDMMLELGYZDK-PBYMTVQHSA-N 295.382 3.516 30 20 CHED Cc1ccnc2ccc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)cc12 839063017 PFXALNLJKVRIDK-DZGCQCFKSA-N 294.354 3.782 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1nc(Cl)c(C#N)s1 841223456 KWLYVQYQWAYYNT-QMMMGPOBSA-N 285.800 3.679 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)cc1 843415705 MNATTXHXLQGGNP-ZVZYQTTQSA-N 284.403 3.742 30 20 CHED Cc1c(NN=C2CCC[C@H]3C[C@]23C)cccc1C(=O)O 844622619 HMKUYMWKWUANQA-ZBEGNZNMSA-N 272.348 3.671 30 20 CHED C=C(C)CONC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 846538192 NSWUSRFZQDFAFG-UHFFFAOYSA-N 286.375 3.703 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1ocnc1C1CC1 851141549 BCRKOVAOZDLPFN-WCQYABFASA-N 275.348 3.844 30 20 CHED C[C@H]1C(=NNc2cc(F)cc(Cl)c2)CC[C@@H]1CC(=O)O 853395774 KKZQHXFEQRLFDB-RKDXNWHRSA-N 298.745 3.768 30 20 CHED C=CCN(C(=O)c1cnn(CC(C)C)c1CC)C(C)(C)C 857651052 PQUIQMFGEBCBBI-UHFFFAOYSA-N 291.439 3.528 30 20 CHED CN(CCC#N)c1ccc(CN[C@@H]2CC23CCCCC3)cc1 858191516 VXCZSOLWGUHPKS-GOSISDBHSA-N 297.446 3.849 30 20 CHED CCCOc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1F 858570595 MGQGNPDTLVVFCW-VXGBXAGGSA-N 262.328 3.719 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2csc(C)n2)s1 869798221 AHLDHFMKIMZGQY-SECBINFHSA-N 292.385 3.639 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](CN)c1ccc2ccccc2c1 884272236 SAQQWMKGTXYEBX-KRWDZBQOSA-N 296.414 3.558 30 20 CHED C=C1CCC(C(=O)Nc2scnc2C2CC2)CC1 889759905 XPJJLFVZOPZKMX-UHFFFAOYSA-N 262.378 3.705 30 20 CHED N#Cc1ccc(N2CCC[C@H]2[C@H]2CCCOC2)c(Cl)c1 894340436 GNEJSLBOAYGRKR-ZFWWWQNUSA-N 290.794 3.607 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1sc(C)c(C)c1C#N 901289139 BTQPSYIQJPOOCV-NSHDSACASA-N 262.378 3.777 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(O)Cc1ccc(F)cc1 901373353 XBAMIPVGQUAAGE-LLVKDONJSA-N 267.344 3.616 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccc3c(c2)CCC3)no1 904722524 WLDOBVQOBXSVFW-HNNXBMFYSA-N 283.375 3.581 30 20 CHED CC(C)(C(=O)OCCCCC1(C#N)CCC1)C1CC1 909320255 HLPYXYXQAJSOLP-UHFFFAOYSA-N 263.381 3.830 30 20 CHED COc1ccccc1/C=C\C(=O)c1cc(F)ccc1F 916134445 IYYFZKOAXWKEPW-TWGQIWQCSA-N 274.266 3.870 30 20 CHED C=CCOc1cccc(C=NNc2ccccc2[N+](=O)[O-])c1 916249491 SAXUGXBYWNWZIV-UHFFFAOYSA-N 297.314 3.606 30 20 CHED COc1cccc(/C=N\[C@@H](C)c2c(F)cccc2F)c1O 917557867 DJAYMDRPQKEDJU-OVNPTBDBSA-N 291.297 3.859 30 20 CHED C=C(Br)COC(=O)C[C@H](C)c1ccccc1 918802140 LNVBDUOWZRRXLO-JTQLQIEISA-N 283.165 3.632 30 20 CHED C=CCOc1cccc(C=NN[C@H](C)c2ccccc2)c1 920386288 WBWQRCPWBDLWHH-OAHLLOKOSA-N 280.371 3.936 30 20 CHED C/C=C\C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 921011083 NQLDVBNKMNMBKD-IHWYPQMZSA-N 278.311 3.865 30 20 CHED C=CCOc1cccc(CN[C@@H](c2ccccn2)C2CC2)c1 922584624 DNHOGKXXGAPVPV-LJQANCHMSA-N 294.398 3.887 30 20 CHED CCN(CC)[C@@H](CN[C@H](C)CC(C)(C)C#N)c1ccco1 924856770 YANMXMHUKLNJOY-CABCVRRESA-N 291.439 3.580 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nn(-c2ccccc2)cc1C 932204655 ZSZPFGASPDONSG-AWEZNQCLSA-N 283.375 3.722 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 936034468 XIBDKJRJDQLFFL-GFCCVEGCSA-N 276.336 3.752 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ncccc1C(F)(F)F 1121175609 FQDZKOGYAQVXNF-NSHDSACASA-N 298.308 3.671 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)COC(C)(C)C)c1cccs1 1123107837 UXKRSTZOCDLSGC-SMDDNHRTSA-N 295.404 3.697 30 20 CHED CCC(C#N)(CC)C(=O)N(C)C[C@H](C)C1CCCCC1 1132258259 AGNJLPUSGWXYTJ-AWEZNQCLSA-N 278.440 3.991 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H]1c1cccc(F)c1 1137018528 VVPSNRMZYAYVPD-KRWDZBQOSA-N 294.329 3.593 30 20 CHED C=C(Cl)CN(C)[C@@H]1C[C@@H](OCC)C1(CC)CC 1167818387 FTPKJRSOJAEILP-CHWSQXEVSA-N 259.821 3.655 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc2c(c1)C[C@H](C)O2 1178901552 RRHHLKQOBFPQCS-ZDUSSCGKSA-N 278.355 3.802 30 20 CHED N#Cc1ccc(NCCCCOc2ccccc2)cc1 1248474875 QHTDETSXHGCRJE-UHFFFAOYSA-N 266.344 3.829 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1oc2ccc(OC)cc2c1C 1255019789 UHUQBBKZGPNMAT-OLZOCXBDSA-N 289.375 3.601 30 20 CHED CCN(C(=O)Nc1sccc1C#N)[C@@H](C)C(C)C 1262307165 FAJSLAYCXCDZMV-JTQLQIEISA-N 265.382 3.518 30 20 CHED C=C(C)CCC(=O)NC[C@H](OC)c1ccccc1Cl 1262615034 YHNVRXQRWOFMCB-AWEZNQCLSA-N 281.783 3.500 30 20 CHED N#Cc1c(F)cccc1N(CC1CCC1)CC1CC1 1307105502 RDWLGZQSHAIALY-UHFFFAOYSA-N 258.340 3.714 30 20 CHED Cc1cccc(NC(=O)CC#Cc2ccccc2)c1C 1319307743 KGLWSZKQQIAGTL-UHFFFAOYSA-N 263.340 3.684 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1ccc(Cl)c(F)c1 1319643863 NJOXUAYPQGYGJO-SECBINFHSA-N 275.714 3.919 30 20 CHED C=CCCCc1nc(Cc2nc3c(s2)CCCC3)no1 1320198735 RTDIHJNMHFNYFA-UHFFFAOYSA-N 289.404 3.504 30 20 CHED N#Cc1cccc(C#N)c1N1CCC(C2CCCC2)CC1 1320812535 CWLWKCCRKBVCCA-UHFFFAOYSA-N 279.387 3.837 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)nc2ccccc12 1326176814 JSZFSSVOLPFQBJ-QWHCGFSZSA-N 251.333 3.647 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1cc2ccccc2[nH]1 1330593389 OLCORUVQRCTXLX-ZDUSSCGKSA-N 255.365 3.540 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)CC1(C)COC1 1332649003 ABRBZFOCAISRPH-HNNXBMFYSA-N 298.471 3.661 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1 1332964042 KNVLUKOQQLDIHD-UHFFFAOYSA-N 286.375 3.659 30 20 CHED N#Cc1ccccc1CN1CCC(Nc2ccccc2)CC1 1334937716 WJQJUZDLESAKBO-UHFFFAOYSA-N 291.398 3.635 30 20 CHED CS[C@@H]1CC[C@H](N(C)c2ncc(Cl)c(C)c2C#N)C1 1337635555 FOYIPNAABZTCOA-WDEREUQCSA-N 295.839 3.635 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@@H](C(C)C)CC1 1340689024 ZRRQAWYBQIPBMX-GFCCVEGCSA-N 298.381 3.664 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@@H]2CCC[C@H]21 1343523871 RKCUOZYNNATMRR-NWDGAFQWSA-N 296.365 3.561 30 20 CHED C=C1CCC(C(=O)O[C@H](CC)C(F)(F)F)CC1 1344547288 XMOJEXKKZITKEL-SNVBAGLBSA-N 250.260 3.617 30 20 CHED CC(C)(C#N)Cc1nnc(C23CC4CC(CC(C4)C2)C3)o1 1346639989 QQYLJAUTUQQNHR-UHFFFAOYSA-N 285.391 3.630 30 20 CHED Cc1cc(C#N)nc(N2CCC(c3ccsc3)CC2)c1 1355276013 ZVKWKOJYKWFPHS-UHFFFAOYSA-N 283.400 3.707 30 20 CHED C=C(C)Cn1c([C@@H](CC)OCC)nnc1N(CC)C(C)C 1356426113 ZWMAFDZTYCMRPK-CQSZACIVSA-N 294.443 3.577 30 20 CHED CC[C@@H](OC(=O)C(C)(C)C#N)c1ccc(C)c(F)c1 1435757730 MFBWYAHLEOCOSR-CYBMUJFWSA-N 263.312 3.678 30 20 CHED N#Cc1sccc1C(=O)O[C@H]1CCc2cc(F)ccc21 1457406064 KEFSJQDOWCISPU-ZDUSSCGKSA-N 287.315 3.603 30 20 CHED C[C@H]1Cc2ccccc2N1Cc1cccc(F)c1C#N 1462028003 WSWTVYHLIOWGML-LBPRGKRZSA-N 266.319 3.649 30 20 CHED N#Cc1cccc(COC(=O)CC[C@H]2CC2(Cl)Cl)c1 1515188612 JIGOBRTWTWGXMF-LBPRGKRZSA-N 298.169 3.575 30 20 CHED Cc1cc(F)c(C(=O)Nc2ccc(CC#N)cc2)c(F)c1 1524860960 AFZSWQUSWKZIOK-UHFFFAOYSA-N 286.281 3.592 30 20 CHED CCSc1cc(C(=O)Nc2cccc(CC#N)c2)ccn1 1526250388 XJPVDCBDJPGKSJ-UHFFFAOYSA-N 297.383 3.512 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)CCCc1ccccc1 1538757334 KOHJXPDGKYQWCO-WBVHZDCISA-N 286.419 3.796 30 20 CHED CC(C)Nc1cccc(F)c1NC(=O)c1cccc(C#N)c1 1557255237 HJNRSALYRQBCIC-UHFFFAOYSA-N 297.333 3.770 30 20 CHED C=CCCCCCOc1cnc(Cl)cc1C(=O)O 1573367464 WNMABCJSMWYZGB-UHFFFAOYSA-N 269.728 3.558 30 20 CHED C=C(CNc1nc(Cl)c(C(=O)O)s1)c1ccccc1 1588637363 MMFHKTWGRFOXGR-UHFFFAOYSA-N 294.763 3.620 30 20 CHED O=C(O)c1coc(C=NNc2cc(Cl)cc(Cl)c2)c1 1602553217 DAMKVVHBYXUKQI-UHFFFAOYSA-N 299.113 3.731 30 20 CHED CCCCCCCCC(=O)N(C1CCC1)[C@H](C)C(=O)O 1605266946 OOCNAJYCUATOPL-CYBMUJFWSA-N 283.412 3.591 30 20 CHED Cc1nc(C#N)cc(NC[C@H]2[C@H](c3ccccc3)C2(C)C)n1 1612462340 VUZFGHSUWVAPIN-RDJZCZTQSA-N 292.386 3.508 30 20 CHED CCC1(c2ccccc2)CN(c2cccc(F)c2C#N)C1 1612468508 JUYCMXSXOZKRSY-UHFFFAOYSA-N 280.346 3.865 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2sccc2C#N)C1 1626074794 ZCVQPZIGZONROM-MNOVXSKESA-N 277.393 3.568 30 20 CHED C[C@@H]1CCC[C@@H](CN[C@@H]2CCc3cc(C#N)ccc32)C1 1659674153 ZPOIMEPCDDNTOI-DDUZABMNSA-N 268.404 3.961 30 20 CHED Cc1ccccc1CCN(C)C(=O)Nc1cccc(C#N)c1 1673021759 FIDKCFXCYKIXHH-UHFFFAOYSA-N 293.370 3.573 30 20 CHED CC(C)c1cccc(C=NNc2ccc(C(=O)O)cc2)c1 1776012218 JNGIPXSHFNAXHS-UHFFFAOYSA-N 282.343 3.954 30 20 CHED CC[C@]1(C)CCCC1=NNc1ccccc1C(=O)O 1776031146 PGQVRNXKRHCTLB-OAHLLOKOSA-N 260.337 3.753 30 20 CHED CC(=NOCC(F)F)c1sc2ccccc2c1C(=O)O 1776054583 ZWQZGLOPLNFQFH-UHFFFAOYSA-N 299.298 3.605 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1 3611811 APHGIFLXJZSXOV-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@@H]1CCc2c(C(=O)Nc3ccc(C#N)cc3)csc2C1 14908461 CGOHKHRDAYCRTO-LLVKDONJSA-N 296.395 3.997 30 20 CHED CCOc1ccc(CNc2ccc(CC#N)cc2)cc1 35046267 QISCXFMWKAKCOE-UHFFFAOYSA-N 266.344 3.763 30 20 CHED COc1cccc2cc(CNc3ccc(C#N)cc3)oc12 37212080 IFKIPCGXIZLEJX-UHFFFAOYSA-N 278.311 3.925 30 20 CHED CC(C)[C@@H](CC(=O)N1CCC(C#N)CC1)c1ccccc1 41110826 QMUVDYLKNAVMDB-QGZVFWFLSA-N 284.403 3.578 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@H](C)c2cccs2)c1 43984773 NWGLIVSHCCSYFT-GFCCVEGCSA-N 284.384 3.954 30 20 CHED CCOc1ccccc1CN(C)Cc1cccc(C#N)c1 46518010 AVXMSPSSZHLDKS-UHFFFAOYSA-N 280.371 3.589 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 49262505 OSVZXOCFIHXKBK-PWSUYJOCSA-N 291.782 3.912 30 20 CHED Cc1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1[N+](=O)[O-] 49840542 WZWSVCQGLCZSED-LBPRGKRZSA-N 281.315 3.948 30 20 CHED CCCCCOc1ccc(C(=O)N(CC#N)CCC)cc1 60542135 OXRKTTOFWYIZJQ-UHFFFAOYSA-N 288.391 3.631 30 20 CHED CS[C@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N 66800633 LSJGPPXAZOQPLI-GHMZBOCLSA-N 294.445 3.771 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccnc1 66802105 BOOGBLKTCZXARV-GFCCVEGCSA-N 297.383 3.728 30 20 CHED CC(C)COc1ccc(CNCc2ccc(C#N)cc2)cc1 69784915 ZRPMBGILZAHJBO-UHFFFAOYSA-N 294.398 3.883 30 20 CHED C#CCCN[C@H](C)C(c1ccccc1)c1ccccc1 70245124 LNRLLCMDOFVULR-MRXNPFEDSA-N 263.384 3.820 30 20 CHED Cc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)c(C)c1 72047936 XQIRMQQKLWTBOK-BQYQJAHWSA-N 268.360 3.977 30 20 CHED CCc1cccc2c1N(C(=O)c1ccc(C#N)cc1)CCC2 78709816 GGNXSZKTJRYQOD-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)[C@H](C)c1ccccc1 80688027 PJIHPHMIHWOGRY-QWHCGFSZSA-N 251.333 3.557 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CC#N)c1 81180066 NLWKSBHBCMENHO-WMLDXEAASA-N 284.403 3.793 30 20 CHED Cc1ccc(C#N)cc1NCc1ncc(C(C)(C)C)o1 85275233 SBKZQENLSMBCIL-UHFFFAOYSA-N 269.348 3.764 30 20 CHED CC[C@@H](C)OCC(=O)Nc1cc(C(C)(C)C)sc1C#N 91207864 FIFWJPPNCFVKOP-SNVBAGLBSA-N 294.420 3.671 30 20 CHED CCN(Cc1cc(C)c(C)cc1OC(F)F)C[C@H](C)C#N 91984009 RJMXGWHPBWTNQC-LLVKDONJSA-N 296.361 3.886 30 20 CHED N#Cc1ccncc1NCc1ccccc1OC1CCCC1 94139300 NGYRPJIHNGZZBV-UHFFFAOYSA-N 293.370 3.887 30 20 CHED Cc1ccc(F)cc1COc1cccc(F)c1C#N 97857473 YMBVONBWMNWAAP-UHFFFAOYSA-N 259.255 3.724 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc(C(=O)O)cc1 98054133 VQFDADVGUVRVFH-POHAHGRESA-N 296.322 3.598 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C)cc2)c1 103028729 GGHAFITYIPLEOJ-UHFFFAOYSA-N 263.340 3.643 30 20 CHED CSc1ccc(C(=O)Nc2ccccc2C#N)cc1 105670286 ZGLNKPJKZSGOFQ-UHFFFAOYSA-N 268.341 3.532 30 20 CHED Cc1ccc(-c2noc(-c3ccc(C#N)cc3)n2)cc1F 109506514 SPDYPISAHTVGMY-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C=CC1CCN(C(=O)c2ccc(CSC)cc2)CC1 110370014 NJAZDEMMMKCDTO-UHFFFAOYSA-N 275.417 3.588 30 20 CHED C#CC[C@H](OC(=O)c1ccc(SC)cc1)c1ccccn1 113662698 JQVZLTBZDDNQOZ-INIZCTEOSA-N 297.379 3.725 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)c1ccccn1 116592213 RTJMKCSPSDCZEA-HOCLYGCPSA-N 278.355 3.760 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccsc1 116974391 XPFKPZKWKUIBOK-WCQYABFASA-N 264.394 3.559 30 20 CHED CC[C@@H](CSC)N(C)c1ccc(C#N)c(Cl)c1 124309186 HZQLGFZYWOETIR-NSHDSACASA-N 268.813 3.789 30 20 CHED C[C@H](C(=O)Nc1cccc(C#N)c1)c1c(F)cccc1F 128766938 DWECHSNKCXDHQC-JTQLQIEISA-N 286.281 3.579 30 20 CHED C=C(Cl)CSCc1ccc(C(=O)OC)c(F)c1 153430590 TWHIKZMWXFCSBU-UHFFFAOYSA-N 274.744 3.598 30 20 CHED C=CCN(C)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 156296999 ZCEKCGCCZAFATC-UHFFFAOYSA-N 272.270 3.664 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 161118469 ZMWHGHKVSABUOL-CHWSQXEVSA-N 284.186 3.789 30 20 CHED C[C@@H](C#N)NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 161921049 CHOLNWKQMRDJJD-AWEZNQCLSA-N 292.382 3.659 30 20 CHED CC[C@@H](C)CN(C)Cc1ccc(C#N)cc1Cl 162865442 ZWGXNDZVLAEONR-LLVKDONJSA-N 250.773 3.690 30 20 CHED CSCCCCC(=O)N[C@H](C#N)c1ccccc1Cl 172550182 IAYAOBUJLOFZBR-CYBMUJFWSA-N 296.823 3.554 30 20 CHED CCCCCC[C@](C)(CCC)C(=O)N[C@@H](C)C#N 173865307 NCDLMZRRYKRMQZ-ZFWWWQNUSA-N 252.402 3.791 30 20 CHED C=CCNC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 174036121 BMECWCXXULPEKS-UHFFFAOYSA-N 297.358 3.798 30 20 CHED Cc1[nH]c2ccccc2c1CCNCC(C)(C)CCC#N 174337495 BVKHPMHYGNKICD-UHFFFAOYSA-N 283.419 3.938 30 20 CHED CCOc1ccc(CNCC(C)(C)CCC#N)cc1F 174362894 GAUAUDWKGDWPJD-UHFFFAOYSA-N 278.371 3.644 30 20 CHED C#CCCCNC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 174576956 FCORQVHRKHRUEX-HNNXBMFYSA-N 286.419 3.595 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@H](C)CCSCC)c1 174785467 JETSNBCJLNBSNA-CYBMUJFWSA-N 290.432 3.663 30 20 CHED C#CCCCNC(=O)Nc1ccccc1N1CCCCCC1 174788134 RDIOEYZQODLJFA-UHFFFAOYSA-N 299.418 3.602 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 175433365 CCQHTGIYZHZKPE-SQWLQELKSA-N 272.392 3.539 30 20 CHED N#C[C@@H](OC(=O)CSc1ccc2ccccc2c1)C1CC1 176063169 BTSZMCBRWNPTQN-MRXNPFEDSA-N 297.379 3.777 30 20 CHED N#Cc1csc(CN[C@H]2CCc3cc(F)ccc32)c1 177692086 ANZVVNAQQVTORM-HNNXBMFYSA-N 272.348 3.536 30 20 CHED CC(C)C[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 179102489 FQOQLCNBPHUDKR-CQSZACIVSA-N 299.418 3.667 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc2cc(OC)ccc2c1 180017359 KGWZLNJMUPSMBH-UHFFFAOYSA-N 298.386 3.566 30 20 CHED C=CCC(CC=C)C(=O)Nc1scc(C(=O)OC)c1C 180051875 IDDFXAPCQYJEKT-UHFFFAOYSA-N 293.388 3.550 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(C#N)s1 180248321 RCIKBAIDDLRFBK-LLVKDONJSA-N 268.451 3.583 30 20 CHED N#CCOc1ccc(CN[C@H]2CCC[C@H](C3CC3)C2)cc1 180553781 ZDBBKXUIRBOZIV-IRXDYDNUSA-N 284.403 3.647 30 20 CHED Cc1cnc(C(C)(C)N[C@H](C)c2ccc(C#N)cc2)s1 182451440 UOAVZPHGZOFKAF-GFCCVEGCSA-N 285.416 3.909 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(F)cc2OCC(F)F)C1 185877305 SXOGUYVFMVAALU-CMPLNLGQSA-N 298.308 3.964 30 20 CHED Cc1cc(C#N)ccc1CN(C)C[C@@H](C)c1nccs1 186326901 MJZFLLXIWWNEPR-CYBMUJFWSA-N 285.416 3.559 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCC[C@H]1CCCO1 189645822 MIEIJFVQJVHHHO-UONOGXRCSA-N 290.432 3.919 30 20 CHED CC[C@H](CC#N)NCc1ccc(C(F)(F)F)cc1C 191115561 VCJHIROIVWYAFY-CYBMUJFWSA-N 270.298 3.796 30 20 CHED CC(C)(C)n1cc(/C=C/C(=O)c2coc3ccccc23)nn1 191328146 WUWMZJYSYXOIHB-CMDGGOBGSA-N 295.342 3.675 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cc(C#N)n(C)c2)C1 191382620 CTTVAKLNBGDBKP-UGSOOPFHSA-N 297.377 3.619 30 20 CHED C[C@@H](NCCc1ccccc1F)c1ccc(OCC#N)cc1 192918725 ZGSGIBPXNQGTNU-CQSZACIVSA-N 298.361 3.621 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc(Cl)cc2F)C1 193311175 URCHXXQNJGXJCK-GWCFXTLKSA-N 266.747 3.651 30 20 CHED C=CC[C@H](C)NC(=O)Cc1cccc(Cl)c1Cl 194143384 KNGKBNIXCFWORY-VIFPVBQESA-N 272.175 3.617 30 20 CHED Cc1c(C(=O)OC(C)(C)C#N)sc2cccc(F)c12 194483634 QIVMAPKLOYIOMD-UHFFFAOYSA-N 277.320 3.808 30 20 CHED Cc1ccc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])o1 205637921 WARFOJUOFNXIAR-NINQLNBYSA-N 283.283 3.949 30 20 CHED CC1(C)CCN(c2c(C#N)cnc3ccccc23)CCS1 228001572 GKBWAUCUCVBJRX-UHFFFAOYSA-N 297.427 3.828 30 20 CHED C=CCC[C@H](C(=O)N1C[C@@H]2CCC[C@H]2C1)c1ccccc1 249287931 TZFRYZHZMZSGDF-BZSNNMDCSA-N 283.415 3.995 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc3ncccc3c2)c1 254446869 OFBIQERJRIUHGU-UHFFFAOYSA-N 292.298 3.589 30 20 CHED COC(=O)c1ccc(/C=C2/CCc3ccc(C)cc3C2=O)o1 255542052 UCJXHFKUOFRVHH-RAXLEYEMSA-N 296.322 3.587 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)c1cccc(CC#N)c1)C1CC1 264111112 BXSYIOAMMAEIFG-UONOGXRCSA-N 284.403 3.792 30 20 CHED Cc1ccnc(N2CCC[C@@H]2c2cccs2)c1C#N 273043334 PNROGKJDWJPVAK-CYBMUJFWSA-N 269.373 3.665 30 20 CHED Cc1cnc([C@H](C)CNc2ccc(C#N)cc2F)s1 273335472 RWLIJFYOWPTYOV-SECBINFHSA-N 275.352 3.678 30 20 CHED C=CCC[C@@H](C)N[C@@H](Cc1nc(C)no1)c1ccccc1 277136265 OUZFJEBBOOMGLH-CJNGLKHVSA-N 285.391 3.606 30 20 CHED CC1(C)CCCN(Cc2cnc3ccccc3c2)[C@@H]1C#N 278349506 IKAJDINBYDAGPA-QGZVFWFLSA-N 279.387 3.749 30 20 CHED C=C(Cl)CN[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 280138909 DOIVXRNXOXYEPL-VXGBXAGGSA-N 283.799 3.538 30 20 CHED CO[C@]1(C)CCCN(c2ccc(Cl)cc2C#N)CC1 280262497 OCCDEXBWNKGNKF-OAHLLOKOSA-N 278.783 3.607 30 20 CHED N#Cc1csc(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1 281303739 HQMDHNRPASILCW-MRVPVSSYSA-N 281.287 3.573 30 20 CHED C=CC[C@@H](CC)NC1CCC2(CC1)C(=O)Nc1ccccc12 281446738 DATPWOJWKSDZQV-TZGCNFNXSA-N 298.430 3.763 30 20 CHED C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCCC#N 281728501 UXTFXDHCORIWRA-NSHDSACASA-N 270.298 3.530 30 20 CHED Cc1ccc(N(C)CCCC2(C#N)CCOCC2)cc1 282029350 PVVFPPWKPYFZPB-UHFFFAOYSA-N 272.392 3.532 30 20 CHED CCN(Cc1ccc(Cl)cc1)C(=O)[C@@](C)(C#N)CC 285423647 LCFFENKWESDYBD-OAHLLOKOSA-N 278.783 3.628 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1ccc(F)cc1C#N 289829980 SMZMUDLYWQXPOO-UHFFFAOYSA-N 286.306 3.975 30 20 CHED N#Cc1ccc(CNc2cc(C3CC3)ccn2)c(F)c1 289962360 YHCOAFJHUVMGJK-UHFFFAOYSA-N 267.307 3.582 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N[C@H](C#N)C1CCCCC1 297710324 IBJMMKUJZWXEMY-QGZVFWFLSA-N 299.418 3.716 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H]1c1ccccc1C 299273823 PPBQLFPXAMUWSU-WBVHZDCISA-N 287.403 3.640 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1ccc(F)c(C#N)c1 300419802 QEGUZOQPZUMYBU-BFQNTYOBSA-N 260.356 3.612 30 20 CHED C[C@@H](Cc1nc2ccccc2s1)Nc1ncccc1C#N 301098210 NIZSPGLQHFDWMM-NSHDSACASA-N 294.383 3.606 30 20 CHED COc1ccc2c(c1)CN(c1ccc(Cl)cc1C#N)CC2 301201772 PRXCCFHIYYHHKY-UHFFFAOYSA-N 298.773 3.783 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)n2)C1 301299137 UALCEGBTSHUDLK-NXEZZACHSA-N 281.812 3.693 30 20 CHED CC[C@H](C)CN(C)c1ccc2cc(C#N)ccc2n1 301971634 GIULMXNLGRTDHX-LBPRGKRZSA-N 253.349 3.589 30 20 CHED Cc1ccc(C#N)c(N2CC[C@H](c3c(F)cccc3F)C2)n1 302233475 ZBQIMJRFCULJAM-ZDUSSCGKSA-N 299.324 3.534 30 20 CHED N#Cc1sc(Sc2cccs2)nc1Cl 307733521 NFRMZLDALALAEF-UHFFFAOYSA-N 258.780 3.881 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC(C(F)F)CC1 307883938 PHJYVTQJMCQSBU-UHFFFAOYSA-N 270.710 3.693 30 20 CHED COc1ccc(CN[C@@]2(C)CCCC[C@@H]2C)cc1C#N 308713246 LKOICBJTEOUGHS-GUYCJALGSA-N 272.392 3.625 30 20 CHED CCc1ccc(OCCOc2ccc(C#N)cc2)c(OC)c1 318642010 ADKCSQOJKUUWCB-UHFFFAOYSA-N 297.354 3.587 30 20 CHED C[C@H](/C(O)=N/[C@H]1CCCc2occc21)c1ccccn1 328765696 GWGCODXZXHGLDR-FZMZJTMJSA-N 270.332 3.812 30 20 CHED N#CC1(/N=C(/O)[C@H]2CCC(=O)c3ccccc32)CCCCC1 328816260 OMPGWZMRVALJRE-HNNXBMFYSA-N 296.370 3.930 30 20 CHED C[C@@H]1CC(=O)CC[C@@H]1C(O)=Nc1scnc1C1CC1 329027260 OMEAXLCTYMOWQQ-KCJUWKMLSA-N 278.377 3.614 30 20 CHED O/C(=N/C1(c2ccccc2)CCCC1)c1csc(O)n1 329894587 BKORSBZKSLQQSZ-UHFFFAOYSA-N 288.372 3.623 30 20 CHED C[C@@H]1CC[C@@H](C/N=C(/O)c2cc(C(C)(C)C)on2)C1 331087972 SOLVMBUBRDOOFL-GHMZBOCLSA-N 264.369 3.713 30 20 CHED Cc1cccc2cc(C(=O)N[C@H](C#N)C3CCCCC3)oc12 332320059 JISKJWMZRZCZHZ-OAHLLOKOSA-N 296.370 3.944 30 20 CHED C[C@@H](N[C@H]1COCc2ccccc21)c1ccc(C#N)c(F)c1 335305033 VPSODSDXFPUNQM-XIKOKIGWSA-N 296.345 3.619 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)s1 335683339 VAZOUUYBLVXPHO-SWLSCSKDSA-N 296.395 3.638 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)N1CCC(CC#N)CC1 335765157 TZIUTKRTZSFFJI-OAHLLOKOSA-N 276.424 3.745 30 20 CHED C=CCCC1(C(=O)NCCc2ccc3[nH]ccc3c2)CC1 337785494 PEHISPBWNHZJBJ-UHFFFAOYSA-N 282.387 3.573 30 20 CHED CSc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 339157246 YXXKEUZQNACCPN-OBJOEFQTSA-N 260.406 3.751 30 20 CHED COc1cccc2c(NCC(C)(C)C#N)c(C)cnc12 340871726 HYSGLYFLFGXKOO-UHFFFAOYSA-N 269.348 3.514 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cncc(F)c1 341552556 GVNPRENQZKYNTE-UHFFFAOYSA-N 288.347 3.751 30 20 CHED C=CCC[C@H](NCCC(=O)OC(C)C)c1ccccc1 341941995 KJIBYHSBDZJKSV-INIZCTEOSA-N 275.392 3.625 30 20 CHED N#Cc1cc[nH]c(=NCc2ccc(C(F)F)cc2)c1Cl 342839638 KOPRNDIYYZHNMO-UHFFFAOYSA-N 293.704 3.578 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCC(C)(C)CCC#N)o1 343334620 NCTZIUBASRUCAO-TZMCWYRMSA-N 260.381 3.823 30 20 CHED CCC(CC)[C@H](CCNCc1ccc(C#N)s1)OC 344824791 JZNGENVFQXYUBR-HNNXBMFYSA-N 280.437 3.551 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@H](C)C2)cc1C#N 345281351 HRZRNZXKCCQIOA-QWHCGFSZSA-N 286.375 3.720 30 20 CHED C=C(C)CCc1noc(-c2cnc(-c3ccco3)s2)n1 349771013 FMKKOEHBJAHPSG-UHFFFAOYSA-N 287.344 3.962 30 20 CHED CC[C@@](C)(OC)c1noc(C[C@@H](CC#N)c2ccccc2)n1 350460544 YGUZTUGPRTWKOM-RHSMWYFYSA-N 299.374 3.581 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCC23CCCC3)c1 353279996 UFTPVBJSHGEIMV-HNNXBMFYSA-N 258.340 3.510 30 20 CHED Cc1ccc(CCC(=O)Nc2cccc(C#N)c2C)s1 355141398 JHXLPRZEXLJRMA-UHFFFAOYSA-N 284.384 3.808 30 20 CHED CC1(CSc2ccc(C#N)c(C(F)(F)F)c2)COC1 359772843 MIZWVLFJOGXXOC-UHFFFAOYSA-N 287.306 3.706 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(CCC(F)(F)F)no1 361009028 IQGAYEWXJHARNU-VIFPVBQESA-N 295.264 3.588 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CC(C)C)c1ccccc1 362369319 FUGWMWHPCDFCSU-HIFRSBDPSA-N 260.381 3.648 30 20 CHED C=CCCCCNC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 368824354 PGAPFHADUIDTCE-HOCLYGCPSA-N 287.407 3.530 30 20 CHED C#Cc1cccc(NCc2cccc(C(=O)OC)c2Cl)c1 381597663 MOPLXCUIWINWIE-UHFFFAOYSA-N 299.757 3.720 30 20 CHED N#Cc1c(Br)cccc1N[C@H]1CCC[C@H]1F 393522585 PXLIFJYQOZDQHF-PWSUYJOCSA-N 283.144 3.623 30 20 CHED CCOc1cc(C=O)ccc1OCc1ccc(CC#N)cc1 399125051 ROYGHMRGIVTUCR-UHFFFAOYSA-N 295.338 3.543 30 20 CHED C=CCN(CCc1ccccc1)[C@@H](C)c1cccnc1 411203175 WQAOAZGAMMMAAS-INIZCTEOSA-N 266.388 3.873 30 20 CHED Cc1cccc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1 416109841 SGICTZALZFQZAM-SFHVURJKSA-N 290.366 3.674 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)[S@@](=O)CCCCC#N 417216284 XXYWPZRZOMKRQN-YJYMSZOUSA-N 275.417 3.679 30 20 CHED C=CCOCCS[C@H]1CCc2ccc(F)cc21 419418940 LJIUYANYKXFICH-AWEZNQCLSA-N 252.354 3.749 30 20 CHED C=CCCc1noc([C@@]2(C)C[C@@H]2c2ccccc2)n1 420500672 GRDQJTOXIBEKRI-CJNGLKHVSA-N 254.333 3.633 30 20 CHED CCC1(NC(=O)NCc2ccc(C#N)s2)CCCCC1 422233865 RGGDGOSAZHINKW-UHFFFAOYSA-N 291.420 3.532 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccccc1C(F)F 425691173 CNPNTICDXSYVAG-UHFFFAOYSA-N 279.290 3.558 30 20 CHED C=CCN(C)Cc1cc(C)c(OC(F)F)c(C)c1 428384781 CXPQNEBXVOMWNF-UHFFFAOYSA-N 255.308 3.523 30 20 CHED N#C[C@@H]1CC[C@H](Sc2n[nH]c(CCC3CCCC3)n2)C1 430101452 WUFJGFWIJFFBIO-OLZOCXBDSA-N 290.436 3.712 30 20 CHED N#CCC1(CN[C@@H]2CCCC[C@H]2c2ccccc2)CC1 430742526 MHLUHDTXUFERDD-DLBZAZTESA-N 268.404 3.996 30 20 CHED CCc1occc1C(=O)N[C@@H](CCC#N)c1ccccc1 430781179 ANCQGBGOOGINPJ-HNNXBMFYSA-N 282.343 3.617 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1c(C)cc(C)cc1C 435726955 STAGMBFDNYWSGS-WMZOPIPTSA-N 273.420 3.683 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1csc2ccccc12 435735258 LCRMGUYAADSMBY-CXAGYDPISA-N 287.428 3.972 30 20 CHED C=CCCOCCN[C@@H]1CC[C@H](Cc2ccccc2)C1 436422417 ZFEMOBOHADVRQN-QZTJIDSGSA-N 273.420 3.580 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)c1ccc(Cl)cc1F 439161237 BQJFENQAYLXTPQ-HNNXBMFYSA-N 299.773 3.671 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC1(C(C)C)CC1 440334371 CTDFCBNTBMURQA-UHFFFAOYSA-N 286.419 3.820 30 20 CHED CC(C)(CN[C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 442860235 KWGPBHXYYCKUAO-CVEARBPZSA-N 256.393 3.537 30 20 CHED CC[C@@H](NC[C@H](C)N1CCC(C)CC1)c1ccc(C#N)cc1 447543962 UKHDWRRLBQMSCK-QFBILLFUSA-N 299.462 3.719 30 20 CHED C=CCCCNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 447955161 ZEADIYRJCFRJIN-JKSUJKDBSA-N 272.392 3.588 30 20 CHED C=CCC1(C(=O)NCCc2csc(C)n2)CCCCC1 448631459 XASKCTLCYSVMTC-UHFFFAOYSA-N 292.448 3.637 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)CC(F)(F)F 450039429 CMUYVMAHZCRZHS-VXGBXAGGSA-N 290.329 3.507 30 20 CHED CC(C)c1nnc(CSc2ccc(C#N)cc2F)s1 450845159 JZVMSBOATWTVKI-UHFFFAOYSA-N 293.392 3.965 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 452540901 KKGNXFFPOVLTCC-WMLDXEAASA-N 274.408 3.712 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 452721419 ZYLVDOTZGYTNLX-LBPRGKRZSA-N 299.336 3.966 30 20 CHED CCC1(NC(=O)[C@@H](C#N)CCc2ccccc2)CCCC1 452962732 WASNPODXNIFACF-MRXNPFEDSA-N 284.403 3.598 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)[C@H](C#N)CCc1ccccc1 453005531 UYAFCMHHHBLUOV-SQNIBIBYSA-N 298.430 3.701 30 20 CHED CC(C)c1ccc(-c2noc([C@@]3(C#N)C[C@H]3C)n2)cc1 453088730 OVMINGARIDGVOH-BDJLRTHQSA-N 267.332 3.661 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)COC2 453394575 WANAYJZCHOCODD-LBPRGKRZSA-N 296.345 3.578 30 20 CHED CCC(C)(C)OCCN[C@H](C)c1ccc(C#N)c(F)c1 453398585 AHGVFYUTAREVMB-GFCCVEGCSA-N 278.371 3.553 30 20 CHED C=CCC1(CNC(=O)Nc2c(C)noc2C)CCCC1 454637283 COGQFTXSUOINNS-UHFFFAOYSA-N 277.368 3.549 30 20 CHED C=CCCCCNC(=O)Nc1cncc(Cl)c1C 455697823 QXXJANVTTZJJTD-UHFFFAOYSA-N 267.760 3.521 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C)nc1C1CC1 455996680 PLMDGEOTOAVOTG-GFCCVEGCSA-N 272.392 3.742 30 20 CHED CC#CCCCC(=O)N[C@@](C)(Cc1ccccc1)C1CC1 457040689 KAWHWYJXYSUBBV-IBGZPJMESA-N 283.415 3.708 30 20 CHED CC(C)(CC#N)CNCc1ccc(OC(F)(F)F)cc1 459690815 JXXHRSZAVXAVAH-UHFFFAOYSA-N 286.297 3.615 30 20 CHED CC(C)(CC#N)CNCc1ccc(Br)cc1F 459692515 LWLZHVZVFSSONL-UHFFFAOYSA-N 299.187 3.618 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)C[C@@H]1C 460788570 CLBHEXVMXFIDGD-GJZGRUSLSA-N 296.418 3.756 30 20 CHED C=C(C)[C@@H](NCC1(COC)CCC1)c1ccc(F)c(F)c1 463204574 RGTUJDLHZUVITM-MRXNPFEDSA-N 295.373 3.988 30 20 CHED C=C(C)CN(CCCOc1ccccc1)C1CCOCC1 464574201 BTXZKJDVRKCFMS-UHFFFAOYSA-N 289.419 3.513 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N[C@H](C#N)C(C)(C)C 464706924 FGJTXEWJTCAJLH-ZIAGYGMSSA-N 264.413 3.647 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(Cl)c(F)c1 466367617 XIRACOLCQVNNTQ-SECBINFHSA-N 270.735 3.955 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 466635108 MFFMFHWVDLCFAO-AWEZNQCLSA-N 289.419 3.786 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2ccc(C#N)s2)C1 469342959 SKIWIAWQHMEYEQ-LBPRGKRZSA-N 276.405 3.518 30 20 CHED C=CCCCCNC(=O)c1ccc(-n2nc(C)cc2C)cc1 471675152 ATSWKMNQIXOQMS-UHFFFAOYSA-N 297.402 3.575 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[C@H](C)C1 472176251 ONQHWWAWUZYAAB-RDJZCZTQSA-N 286.419 3.963 30 20 CHED C=CCNc1ccccc1N(C)Cc1ccccc1 477319767 JHFWWNKRWDLVIO-UHFFFAOYSA-N 252.361 3.921 30 20 CHED C=CCN(CC1CCCCC1)S(=O)(=O)C1CCCCC1 482069919 CXVCSFCFTIMQDC-UHFFFAOYSA-N 299.480 3.717 30 20 CHED CC(C)(C)c1cnc(/C=C/c2ncccc2C#N)s1 486075145 LYENQUQVAVVYIF-VOTSOKGWSA-N 269.373 3.878 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)CCO1 487058253 DNTGMJYWECEUEC-NHYWBVRUSA-N 276.355 3.703 30 20 CHED CC[C@H](C)NC(=O)[C@H](Sc1ccc(C#N)cc1)C(C)C 488779046 FHDXJWOFUAQQLA-SWLSCSKDSA-N 290.432 3.590 30 20 CHED C=CCN(C)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 488969728 JSKMDGZPMDUYIE-IRXDYDNUSA-N 286.419 3.615 30 20 CHED CCC[C@]1(COC)CCCN1Cc1ccc(C#N)c(C)c1 488995922 WFOFYUKGVHLWGO-GOSISDBHSA-N 286.419 3.648 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@H](C)[C@@H]1C)c1ccccc1 489014751 PFXRRZWAKRNLMN-ZOBUZTSGSA-N 271.404 3.993 30 20 CHED C#C[C@@H](NCc1ccnn1C(C)C)c1ccc(Cl)cc1 491427213 JLCILPHKUOANHS-MRXNPFEDSA-N 287.794 3.582 30 20 CHED N#Cc1ccc(Br)c(CN2CCCCCC2)c1 492506096 CAMPTWSKDPOWRV-UHFFFAOYSA-N 293.208 3.697 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)c(F)c(Cl)c1 494880227 CVBUCLOAKPMHBW-UHFFFAOYSA-N 277.126 3.830 30 20 CHED N#Cc1ccc(SC/C=C\c2ccccc2)nc1 495268274 UOMAOACAHPZXRE-DAXSKMNVSA-N 252.342 3.759 30 20 CHED CC#CCN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510451681 AWOXWUDRBIVLGX-LLVKDONJSA-N 293.235 3.504 30 20 CHED N#Cc1c(F)cccc1SCC1CC(F)(F)C1 520611462 NJPQGRHTRQDOGB-UHFFFAOYSA-N 257.280 3.835 30 20 CHED C=CCCCN(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 530950222 SUFPQGLKFCOLNX-PKOBYXMFSA-N 286.463 3.938 30 20 CHED CCOc1ccccc1N(C)Cc1cc(C#N)ccc1OC 533670507 WCKVFOVEYHDCQL-UHFFFAOYSA-N 296.370 3.602 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@](C)(CCC)C1)OCC 534421663 YLPHHZIEGZBAAF-DOTOQJQBSA-N 281.440 3.787 30 20 CHED CC(C)(NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 536561776 UGYLGHXRCRBKIK-HNNXBMFYSA-N 285.391 3.519 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 537624987 BGEOZYKMOCBHIQ-ZDUSSCGKSA-N 262.422 3.878 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc(OCC)c(Cl)c1 539436293 JXRDZQYRBBLVNS-NSHDSACASA-N 296.798 3.608 30 20 CHED C[C@@H](NC[C@H](C1CCCCC1)N(C)C)c1cccc(C#N)c1 539498400 OGTFGVSYKDUROY-DNVCBOLYSA-N 299.462 3.719 30 20 CHED C=CCN(C(=O)c1ccc(-c2ccccc2F)o1)C1CC1 540129978 FMZZHKMVSKLCOZ-UHFFFAOYSA-N 285.318 3.876 30 20 CHED CC#CCNc1ccc(Oc2ccc(Cl)cn2)cc1 540618407 OTSORDPARJBCIP-UHFFFAOYSA-N 272.735 3.963 30 20 CHED C=CC[C@H](CC)NC(=O)NCC[C@@H](OCC)C1CCCC1 541239940 PRIBYONVVGZOGB-JKSUJKDBSA-N 296.455 3.626 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cc(C#N)ccc1OCCOC 541533939 LGLRBGXPTYSMPP-UONOGXRCSA-N 288.391 3.596 30 20 CHED C[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)C(F)(F)F 543175842 JOOBKTGGLIIZCN-LLVKDONJSA-N 282.309 3.721 30 20 CHED C=CCCc1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 547054311 XBPQOMKSHGWAMF-UHFFFAOYSA-N 267.332 3.953 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 548618067 NIQGTULJJYSEIM-QWRGUYRKSA-N 278.783 3.766 30 20 CHED C=CCC[C@H](NCCC1C[C@H](C)O[C@@H](C)C1)C1CC1 549237655 WIBVYNIOZLCGOH-ZQIUZPCESA-N 265.441 3.915 30 20 CHED C=CCC[C@H](NC[C@](C)(O)[C@H](C)CC)c1ccco1 552043766 BDSDASUEANMPTP-YCPHGPKFSA-N 265.397 3.674 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 552154408 HCXROPFTYQEGAZ-LJQANCHMSA-N 298.430 3.809 30 20 CHED C=CC[C@@H](CC)N[C@@H](CC)c1ccc(C(=O)OC)cc1 556179251 OLNMAKGDNFVITL-CVEARBPZSA-N 275.392 3.869 30 20 CHED C=CCC(F)(F)c1nc(Cc2cc(F)cc(F)c2)no1 556276991 GJSDTSGLRDEWAS-UHFFFAOYSA-N 286.228 3.607 30 20 CHED CC(C)O[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C 556606016 PUXCMHXVCGFJAB-DLBZAZTESA-N 298.430 3.729 30 20 CHED C=CCC[C@H](NCc1snnc1C)c1ccccc1 562342845 AKTFYVZCRXALED-AWEZNQCLSA-N 273.405 3.644 30 20 CHED CC[C@H](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 567387457 QYNNFKSULBRMMP-JTQLQIEISA-N 264.756 3.976 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC[C@H](F)C1 567853838 PWWHYRRKGFKHGE-LSDHHAIUSA-N 263.356 3.622 30 20 CHED C=CCCCCN(C)CC(=O)Nc1c(C)cccc1C 570397553 CEQPURJLBDFXEQ-UHFFFAOYSA-N 274.408 3.530 30 20 CHED CC(C)c1cccc(CN=c2[nH]ccc(C#N)c2Cl)c1 571233231 HEVNWLWJQWJEGC-UHFFFAOYSA-N 285.778 3.764 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(N(C)C)c(F)c2)no1 583466278 XIDIHWADAXXZFN-INIZCTEOSA-N 289.354 3.795 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCCCC#N 588369607 UQUGTOAUUIZHBQ-QLFBSQMISA-N 262.397 3.640 30 20 CHED N#CCCCCCC(=O)N(CC1CCC1)CC(F)(F)F 588939061 RVJSVNVOIKUZJL-UHFFFAOYSA-N 290.329 3.651 30 20 CHED N#CCCCCCC(=O)N(CC(F)(F)F)C1CCCC1 588940023 VWNFGAKWZCCTRO-UHFFFAOYSA-N 290.329 3.794 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 589578640 XYDBRZSVZJYHGI-IRXDYDNUSA-N 293.326 3.609 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc([N+](=O)[O-])s2)n1 590280174 OROLJFNUBJOSIW-UHFFFAOYSA-N 279.321 3.560 30 20 CHED Cc1csc(NC(=O)N(C)CC2CCCC2)c1C#N 590605511 DLRIABOFWJHJKI-UHFFFAOYSA-N 277.393 3.582 30 20 CHED CCCc1ccc(CCCC(=O)N[C@H](C#N)CCC)cc1 592613758 OTTQJODGMBXQRN-KRWDZBQOSA-N 286.419 3.770 30 20 CHED CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(C#N)nc1 593272961 GUXNNFFZSMDKEZ-SOUVJXGZSA-N 297.402 3.523 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 593393787 HJKJKBXIEJNREM-SKDRFNHKSA-N 294.807 3.543 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](CC(C)C)c1ccccc1C 593463926 CLKHCUKYDXLPPB-ZBFHGGJFSA-N 272.392 3.748 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC(C)(C)CC1 593984440 OPGKFMWPRGJTJJ-HNNXBMFYSA-N 298.430 3.776 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc(C2CCCC2)cc1 594090330 CKDDWFOYVLNEIK-MRXNPFEDSA-N 270.376 3.718 30 20 CHED CCc1c(NCC2(CC#N)CC2)cnn1CCC(C)C 594706608 BBULLCDSKNNGJO-UHFFFAOYSA-N 274.412 3.597 30 20 CHED Cc1ccc(-c2nc(CN(C3CC3)[C@@H](C)C#N)cs2)o1 595709307 FBDKAOQXSQQBQH-JTQLQIEISA-N 287.388 3.588 30 20 CHED C[C@H](C#N)N(Cc1ccc(CN2CCCCC2)cc1)C1CC1 595710427 PDZCKHWMCDYBLE-MRXNPFEDSA-N 297.446 3.549 30 20 CHED Cc1cc2ccccc2nc1N1CCC[C@H](CC#N)C1 596329443 KZBUYNIZAJKIMB-CQSZACIVSA-N 265.360 3.673 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2ccn(C(C)C)c2C)n1 598859636 XQJITBOYYGUIMN-UHFFFAOYSA-N 296.374 3.513 30 20 CHED C[C@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H](C)C1(F)F 599116610 AXYBYKBEOOLJSY-IUCAKERBSA-N 286.272 3.564 30 20 CHED CCOC(=O)[C@H](CC)S[C@H](C#N)CCc1ccccc1 601078185 HTOUAQBLUNFCMQ-GJZGRUSLSA-N 291.416 3.586 30 20 CHED CCCn1ncc(NC[C@H](C)CCC#N)c1C1CC1 602680516 UTIBNEKCRULLNA-GFCCVEGCSA-N 260.385 3.522 30 20 CHED C=CCCCNc1ccc(C(=O)NC(C)(C)CC)cc1 607149326 XEKDTTMJZMBKFH-UHFFFAOYSA-N 274.408 3.983 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N(C)c2ccc(C#N)cc2)C1(C)C 610252687 HXDNLRMREMNBND-HOTGVXAUSA-N 282.387 3.759 30 20 CHED C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cccc(C#N)c1 610362406 RHXLNGFAASDWAE-LLVKDONJSA-N 296.395 3.599 30 20 CHED N#Cc1ccc(CN2CCC(C3CCCC3)CC2)cc1 610370758 DZIOBEHQYHPCBG-UHFFFAOYSA-N 268.404 3.960 30 20 CHED Cc1cscc1NC(=O)c1cc2ccccc2n1CC#N 610975036 BUWUFLGMKINWFE-UHFFFAOYSA-N 295.367 3.787 30 20 CHED Cc1ccc(C#N)nc1NCc1cc(-c2ccccc2)no1 611399485 UXEKZZNGQPWYFH-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=C[C@H](C)NC(=O)[C@H](CCC)c1ccc(Cl)cc1 612263973 MAIAKVYYTAXHRE-SMDDNHRTSA-N 265.784 3.914 30 20 CHED C/C(=C\c1ccccc1)CN1CCC[C@@](C)(C#N)C1 612406758 SLZQNHPKUHVTHW-JMPLCFMRSA-N 254.377 3.716 30 20 CHED C=CCC1(CNC(=O)CCCc2cccnc2)CCCC1 615972857 LIJLTMBVMSNWDF-UHFFFAOYSA-N 286.419 3.657 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2NC)C1 617777729 VRAIDMSMMWBOJW-LBPRGKRZSA-N 292.810 3.810 30 20 CHED C=CCN(C(=O)[C@@H]1CCCC(F)(F)C1)C(C)(C)C 622944934 LFYQMQAMCPAZBS-LLVKDONJSA-N 259.340 3.625 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccsc2C)C1 640464236 DQTAOCVHQAAFFU-LBPRGKRZSA-N 264.394 3.877 30 20 CHED C=CC[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 661386859 VLJHMDHBYSXAIH-HNNXBMFYSA-N 257.377 3.677 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2COC)C1 665559795 QEQVJDNXSIWEIL-CQSZACIVSA-N 288.391 3.653 30 20 CHED C=CCCS(=O)(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 675755824 ZCBXUTBZLQFSKB-AWEZNQCLSA-N 299.436 3.657 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ncc(C2CCCCC2)s1 679884413 IREBDVQMDGWKBW-SNVBAGLBSA-N 279.409 3.887 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 684939217 MTNZXTSMHLIRQI-IPYPFGDCSA-N 275.392 3.807 30 20 CHED C[C@H](CCOCc1ccccc1)N[C@H](C)CC(C)(C)C#N 695864681 NSMOVOBRGCSBNY-HZPDHXFCSA-N 288.435 3.900 30 20 CHED CCc1nc(C#N)cc(Oc2cccc3sccc23)n1 705122147 YYMNTFYYDZMKLG-UHFFFAOYSA-N 281.340 3.918 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](C2CCCC2)C1 708817496 KMPPEUXKHNRTBE-SFHVURJKSA-N 268.404 3.879 30 20 CHED CCCCCCCCCN(C)C(=O)C(F)(F)F 725890453 SCZYSXCIUBPYTL-UHFFFAOYSA-N 253.308 3.758 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C/c1cc2ccccc2nc1O 729641661 RXWBZVZBCZEJDP-QNLGGLICSA-N 254.333 3.548 30 20 CHED C#CCOc1cccc(OC(=O)c2cc(C)c(C)s2)c1 730497987 NRQYAAMIDWKMNT-UHFFFAOYSA-N 286.352 3.596 30 20 CHED Cc1cc(C)c(/C=C/C(=O)Nc2ccc(C#N)cn2)cc1C 731988916 JSUVUDIEMXRPBW-FNORWQNLSA-N 291.354 3.530 30 20 CHED C[C@@H](NN=C1CCc2cc(F)ccc21)c1ccccc1 734296243 PFQDJXHZJDSBLA-GFCCVEGCSA-N 268.335 3.827 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)Cc1ccccc1)c1ccncc1 734455867 PCMSXJOJGQUQSQ-YJBOKZPZSA-N 294.398 3.694 30 20 CHED CCCCCCCC(=O)N[C@]1(C#N)CCC[C@H](C)C1 735057186 DYEWWPZJIWTRHB-GOEBONIOSA-N 264.413 3.936 30 20 CHED FC(F)(F)c1ccc(OCCON=C2CCC2)cc1 735489985 NPGNGQSBAQIKNO-UHFFFAOYSA-N 273.254 3.641 30 20 CHED CC(C)C[C@H](C(=O)OCCCC#N)c1ccccc1 741049506 FSMJKGSJJJVWQF-HNNXBMFYSA-N 259.349 3.663 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@@H](CC)C1)C1CCCCC1 741091432 KPZNDZGFGOWSHQ-HZPDHXFCSA-N 290.451 3.933 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H](C)C1 741638363 AXGDKIKMCIQBSB-QWHCGFSZSA-N 289.350 3.603 30 20 CHED CC(=NN=C(c1ccccc1)c1ccccc1)[C@H]1CCOC1 741756813 JLCGJZBBBRZRIZ-SFHVURJKSA-N 292.382 3.936 30 20 CHED Cc1cccc(O[C@@H](C)C/N=C/c2ccccc2O)c1 741845721 VUSDGMFDAOBFMV-QCUKBLKESA-N 269.344 3.587 30 20 CHED C#CCOc1ccc(F)cc1NCc1cc(C)ccc1OC 742376718 DMMKRFMXSYDXAM-UHFFFAOYSA-N 299.345 3.767 30 20 CHED C=CCOc1ccc(OC(=O)/C=C/c2cccs2)cc1 742860025 JOJWTHXWNKTUHP-MDZDMXLPSA-N 286.352 3.932 30 20 CHED Cc1ccoc1C=NNc1ncnc2c1oc1ccccc12 743432077 BDQTVZOUTBQWJL-UHFFFAOYSA-N 292.298 3.723 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc([S@@](C)=O)cc1 746366590 PVQSLBDJEVBNTJ-HXUWFJFHSA-N 286.400 3.569 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 746575520 DREDYHKRXRSVEP-JTQLQIEISA-N 286.297 3.920 30 20 CHED C=C(Cl)CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1 746850695 JMOIAAFDULMGNJ-UHFFFAOYSA-N 298.091 3.841 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2Cc3ccccc32)n1 747193670 MCDCWBGRNUEIDG-KGLIPLIRSA-N 296.395 3.783 30 20 CHED N#C[C@@H](C(=O)[C@H]1CC12CCCC2)c1ccc2ccccc2n1 747478688 FXSUUKGPSJAJEI-HUUCEWRRSA-N 290.366 3.991 30 20 CHED CN(Cc1ccccc1)CC(C)(C)C=NNc1ccccn1 747628232 RWECHMLRWCKXOS-UHFFFAOYSA-N 296.418 3.638 30 20 CHED C=C(Cl)CON=C(c1ccccc1)C(F)(F)F 751955339 RXCYEHNSKXLKEZ-UHFFFAOYSA-N 263.646 3.722 30 20 CHED C#Cc1ccccc1C(C)=NNc1ncnc2sccc12 753695757 RRQFFQAYQVZNHR-UHFFFAOYSA-N 292.367 3.509 30 20 CHED C#Cc1cccc(N(C(=O)C=C2CCC2)C(C)C)c1 755287521 VNWKEPJYFDLCMJ-UHFFFAOYSA-N 253.345 3.520 30 20 CHED C(=NO[C@@H]1CCCCO1)c1csc2ccccc12 755825122 UEJAQXHJVAQMTC-CQSZACIVSA-N 261.346 3.778 30 20 CHED FC(F)(F)c1csc(NN=C/C=C\c2ccco2)n1 755905087 SBPFIBBOPYKXJN-YPYHXCMGSA-N 287.266 3.866 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccc(F)cc1O)c1ccncc1 756584348 SJIBOTMTJDRGHV-BLLLJJGKSA-N 286.350 3.894 30 20 CHED Cc1ccc(OC(F)F)c(C=NNCc2ccccc2)c1 756823884 OCXGYUYMVXCCNJ-UHFFFAOYSA-N 290.313 3.720 30 20 CHED C#Cc1cccc(N(C)C(=O)C(C)(C)C2CCCC2)c1 756978023 PBSYNNAYRKBCQR-UHFFFAOYSA-N 269.388 3.847 30 20 CHED C#CC[C@@H](NC(=O)c1cc(F)c(C)cc1F)c1ccccc1 757580908 SHZNNMLZGRJIMT-QGZVFWFLSA-N 299.320 3.768 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)c(F)c1 759083737 PNGDVBPLMXAVAC-HWKANZROSA-N 286.693 3.642 30 20 CHED N#Cc1ccc2[nH]cc(C=NNc3cccc(F)c3)c2c1 760255240 ZHAUDJMEFHMXAR-UHFFFAOYSA-N 278.290 3.625 30 20 CHED O=C(/C=C/c1c(Cl)oc2ccccc12)c1cnccn1 761204600 JDYVNFOWJSKQIN-AATRIKPKSA-N 284.702 3.772 30 20 CHED CCC(CC)(CC)C(=O)OCc1ccc(F)cc1C#N 761474432 LOARYJOUOFCSCC-UHFFFAOYSA-N 277.339 3.957 30 20 CHED CC#CC(=O)N[C@@H](c1ccc(CCC)cc1)c1cccs1 764073173 CKJGRZZLVNIRRD-SFHVURJKSA-N 297.423 3.930 30 20 CHED CCc1ccc([C@H](C)NCc2ccc(C#N)cc2)o1 765013467 HNFHDEATEZOMHF-LBPRGKRZSA-N 254.333 3.564 30 20 CHED Cc1cc(OC(=O)C[C@@H]2CC[C@@H](C)C2)ccc1C#N 765093147 GGGAESIVQPGLRO-DGCLKSJQSA-N 257.333 3.598 30 20 CHED Cc1cc(OC(=O)C[C@H]2CCc3ccccc32)ccc1C#N 765118277 QFROXVKIGWQTQW-OAHLLOKOSA-N 291.350 3.892 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 765318391 IEYSALZLYCJATO-QZTJIDSGSA-N 299.414 3.607 30 20 CHED CCCCCCCC(=O)OCCc1csc(C)n1 767572794 CFYPPKOHZATZBD-UHFFFAOYSA-N 269.410 3.898 30 20 CHED Cc1ccc(O)c(C(=O)OCCCCC(C)(C)C#N)c1 768354966 CVHFWKDOUNZKOH-UHFFFAOYSA-N 275.348 3.578 30 20 CHED CC(C)(C#N)CCCCOC(=O)/C=C\c1ccc(O)cc1 768494132 ZNMKHADHQAAGQC-YFHOEESVSA-N 287.359 3.669 30 20 CHED C[C@H]1CC/C(=C\C(=O)OCCCCC(C)(C)C#N)C1 768744023 HEYWXJYKUSODEZ-UQRISPGASA-N 263.381 3.996 30 20 CHED Cc1c(C#N)cccc1NC(=S)N[C@@H](C)c1ccccc1 769795725 QJPKTJDERJUGGC-ZDUSSCGKSA-N 295.411 3.914 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 773005666 SOZKEORTBQDUSK-LBPRGKRZSA-N 295.814 3.620 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccc(C)cc1Cl 773712631 SAGYJDLXLPPUML-OAHLLOKOSA-N 263.189 3.650 30 20 CHED Fc1ccc(NN=CCCc2ccc3c(c2)CCO3)cc1 774312209 YRASVWIGAIDUSX-UHFFFAOYSA-N 284.334 3.791 30 20 CHED C=CCC[C@H](NC(=O)NOC1CCCC1)c1ccccc1 774762936 JRCITIVXAMIHMD-INIZCTEOSA-N 288.391 3.867 30 20 CHED C[C@H](OC(=O)[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 776335412 ZTNFCPSZKAZVAB-TYNCELHUSA-N 257.333 3.599 30 20 CHED COC[C@H](C)C(C)=NNc1cccc(C(F)(F)F)c1 777878568 HRDJXLCSNUGDLY-VIFPVBQESA-N 274.286 3.776 30 20 CHED CC(C)(C#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 779227632 WQQYYXHPHCOELC-UHFFFAOYSA-N 296.370 3.896 30 20 CHED C=CC[C@@H](C(=O)NOC1CCCCC1)c1ccccc1 779322800 DAFITGCNAGJAAV-MRXNPFEDSA-N 273.376 3.727 30 20 CHED Clc1cccc(C=NNc2ccc3[nH]ncc3c2)c1 779815927 GZFYOUNFDLIPRK-UHFFFAOYSA-N 270.723 3.662 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)CCC(F)(F)F 780039849 MZMOQIFOGUPAGG-UHFFFAOYSA-N 291.656 3.597 30 20 CHED CC(C)Cc1ccc(C=NN[C@H]2CCOC(C)(C)C2)cc1 780248464 AXPYBTBMXGRZRT-KRWDZBQOSA-N 288.435 3.766 30 20 CHED COc1ccc(NN=C(C)c2nc3ccccc3s2)nc1 780271634 VICZJWOPRZWGRT-UHFFFAOYSA-N 298.371 3.536 30 20 CHED COc1ccc(NN=C2CC[C@H]3CCCC[C@@H]3C2)nc1 780271837 YHEHSZKMJFXFNZ-CHWSQXEVSA-N 273.380 3.848 30 20 CHED Fc1cccc(NN=C2CCCOc3cc(F)ccc32)c1 781588704 ZBRHFQICJFJTRS-UHFFFAOYSA-N 288.297 3.954 30 20 CHED CC[C@H]1CC[C@H](C(=O)OCc2cccc(C#N)c2)CC1 782399671 JIPGNEPXCQBQJS-SAZUREKKSA-N 271.360 3.818 30 20 CHED Cc1cccc(C2(C(=O)OCCCC(C)(C)C#N)CC2)c1 783125637 UUSZLESCBZBKMW-UHFFFAOYSA-N 285.387 3.900 30 20 CHED CC(C)(C)[C@H]1CCN(c2snc(Cl)c2C#N)C1 784225179 LLXCORIKJJSHJN-QMMMGPOBSA-N 269.801 3.541 30 20 CHED C=C(Cl)COC(=O)c1cc(F)c(Cl)cc1F 785607806 SZCYXYGJLNZLPE-UHFFFAOYSA-N 267.058 3.528 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1cc(C)c(F)cc1F 785767457 HLTDDNBBQOEDJJ-MRXNPFEDSA-N 296.313 3.601 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(F)cc1 785861616 HREQKOOGZYFQNT-XJKSGUPXSA-N 275.367 3.571 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)[nH]1)c1cccc2ccccc12 786083087 YRRQSLZGGLXONA-LBPRGKRZSA-N 290.322 3.958 30 20 CHED C[C@H](C=NOC[C@@H]1CCOC1)CC1CCCCC1 788034143 OTSDQBZFHXJRMH-DZGCQCFKSA-N 253.386 3.632 30 20 CHED C#CCC1(C(=O)OCc2ccc(Cl)cn2)CCCCC1 788218425 PZYIPWXZBHVZCO-UHFFFAOYSA-N 291.778 3.752 30 20 CHED C#CCC1(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)CCCCC1 788222594 GUZOPEQTOHTHEM-HKUYNNGSSA-N 295.426 3.807 30 20 CHED CCC(=NNCCc1ccncc1)C1CCCCC1 789097929 XMWKAALAHZDJOK-UHFFFAOYSA-N 259.397 3.560 30 20 CHED CCCCCCCCCN(C)C(=O)c1csc(O)n1 792079853 YILXMGVCHGEKGS-UHFFFAOYSA-N 284.425 3.671 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1cnc2ccccc2n1)C1CCCC1 792111102 WACZAOCYEIDGCV-TZMCWYRMSA-N 293.370 3.632 30 20 CHED C[C@@H](NN=Cc1cn(C)nc1C1CCCCC1)C(C)(C)C 793114854 NWIGOPIURKIMBW-CYBMUJFWSA-N 290.455 3.826 30 20 CHED CC(C)[C@@H](C=NO[C@@H]1CCCCO1)c1ccccc1 794524935 WTWMQMWBLRPYHZ-HZPDHXFCSA-N 261.365 3.955 30 20 CHED CC(CCc1ccc(F)cc1F)=NNc1ccccn1 794870400 LUMYIGLPXKHUEC-UHFFFAOYSA-N 275.302 3.780 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCC[C@H]1CCF 794898953 FGKYZXUJBHIFQJ-NSHDSACASA-N 279.315 3.831 30 20 CHED C[C@@H](C=NNc1ncccc1F)c1ccc(F)cc1 794990064 MMZXVYORRNVIBL-JTQLQIEISA-N 261.275 3.561 30 20 CHED CCC(=NNc1cccc(F)n1)c1cc(C)ccc1OC 795008041 DNHDXYAQKQVERH-UHFFFAOYSA-N 287.338 3.764 30 20 CHED CC(C)c1ccc(C=NNc2cccc(F)n2)cc1 795008860 QGITUKOJNFAXOA-UHFFFAOYSA-N 257.312 3.790 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNc1nc(O)c2ccccc2n1 797401216 FUVPYJNRWGYNAZ-VXGBXAGGSA-N 298.390 3.950 30 20 CHED Cc1cc(C)c(COC(=O)c2cc(C#N)oc2C)c(C)c1 797886969 BXSVEPOIFZZNFU-UHFFFAOYSA-N 283.327 3.742 30 20 CHED C#C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(C)C 799041913 GPBNBPHASDBUSZ-IBGZPJMESA-N 291.394 3.670 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1nc2c(s1)CCCC2 799500472 WWWLXGZGJRTJSA-KTKRTIGZSA-N 294.379 3.790 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)/C=C\c1ccccc1C#N 799566088 FSKNMZMBCLMDLT-QYMJWVLRSA-N 284.403 3.902 30 20 CHED COc1cccc(NN=C(C)c2c(C)cc(C)cc2O)c1 799873985 RJPASGSVFCHZOP-UHFFFAOYSA-N 284.359 3.854 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CCCC(F)(F)C2)c1 800721394 MKQMKQYKZOIJBD-HLGUWXJESA-N 298.289 3.545 30 20 CHED C=CCOc1ccc(CNC(=O)/C(C)=C(/C)CC)cc1 804139831 MLXYQTZMAFTEQK-YPKPFQOOSA-N 273.376 3.614 30 20 CHED CCCCCCCCCC(=O)N(C)[C@@H]1CCCOC1 804286794 MOCOAIYDYATJFO-OAHLLOKOSA-N 269.429 3.765 30 20 CHED C[C@@H]1Cc2ccccc2CN1c1nc(Cl)c(C#N)s1 804618716 WBFUATDERPIBPL-SECBINFHSA-N 289.791 3.619 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(C(=O)O)c2)s1 806559016 RWWPMEKGUQKHAO-BQYQJAHWSA-N 272.325 3.651 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(F)c1F 807990495 FMPWHYQPFHYHBR-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C/C(C=NNCC1CCCC1)=C\c1cccc([N+](=O)[O-])c1 808006950 IVGODFAARIWBQT-SGXCIZFRSA-N 287.363 3.764 30 20 CHED Cc1ccc2sc(C(=O)OC(C)(C)C#N)cc2c1 810629515 KYBFVSXPWNOJAX-UHFFFAOYSA-N 259.330 3.669 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1ccccc1C1CC1 811665250 MRVOAISRXQJMCH-OAHLLOKOSA-N 294.398 3.955 30 20 CHED CC(=NOC/C=C/Cl)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 811669299 CWJLKTLFINMYLX-WVAIWIIOSA-N 296.754 3.918 30 20 CHED Cl/C=C\CON=Cc1ccccc1Br 811669869 KPAKKYOTGSFSIL-MWOOOQDBSA-N 274.545 3.552 30 20 CHED FC(F)(F)Oc1cccc(C=NOC/C=C/Cl)c1 811672273 VHRBEOMFIYZZLE-VXXAXXLESA-N 279.645 3.688 30 20 CHED C#CCN(C)C(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 811994920 ISGLHEQVMXHERE-KRWDZBQOSA-N 286.419 3.782 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](CC)CCCCC 814134581 LTWRBNRSKLISSE-AWEZNQCLSA-N 250.386 3.521 30 20 CHED FC(F)SCc1ccc(C=NOCCC2CC2)o1 814246195 VMXRXMAGHLPFOR-UHFFFAOYSA-N 275.320 3.886 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1N1CCCCC1 814710238 LONDPIPSYYHTOO-UHFFFAOYSA-N 294.345 3.827 30 20 CHED CC[C@@H](C=NNc1ccccc1C(=O)O)c1ccccc1 814768996 RIKXZVBLCIDEMU-ZDUSSCGKSA-N 282.343 3.976 30 20 CHED C[C@@H]1C(=NNCCC(C)(C)C)CC[C@@H](C(=O)O)C1(C)C 814901310 IAJOHZNRVQEUJJ-NEPJUHHUSA-N 282.428 3.525 30 20 CHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Cl)ccc1O 818357002 UKPQGHOWHJJSSH-ZKYQVNSYSA-N 278.783 3.779 30 20 CHED N#CCC[C@H](C#N)CNc1ccc(OC(F)F)c(Cl)c1 819397945 HKQJFKSWDPOLSP-SECBINFHSA-N 299.708 3.797 30 20 CHED C[C@H](NN=C1CS[C@@H](C(C)(C)C)C1)c1ccncc1 819817723 DYOHUXCXPWTBHR-SMDDNHRTSA-N 277.437 3.640 30 20 CHED C=CCC1(C(=O)OC[C@]2(C)C[C@@]2(F)Cl)CCC1 821895318 GYBIJMNNGLZCRR-AAEUAGOBSA-N 260.736 3.591 30 20 CHED COc1ccc(N(CCCCC#N)CC2CC2)cc1 831588397 ZYCCRVHULOQIRL-UHFFFAOYSA-N 258.365 3.605 30 20 CHED C=C[C@](C)(CC)C(=O)N(OC)[C@H](C)c1csc(C)n1 833743996 RTTPVAJBZVZPJD-QMTHXVAHSA-N 282.409 3.505 30 20 CHED Cn1ncc(/C=C2/C(=O)c3ccccc3C2(C)C)c1Cl 834417282 JQDVYWAQCFECQV-JYRVWZFOSA-N 286.762 3.631 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2csc(C)c2)c1 834904500 YZPYMOLVAKNOJH-ZDUSSCGKSA-N 255.386 3.889 30 20 CHED C=CCCCCC(C)=NNc1ccc(Cl)nn1 834919520 IPKTUZMBHBFDRS-UHFFFAOYSA-N 252.749 3.664 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@@H](C)CC[C@H]2C)o1 834947702 IBYAIGKYTUSXPX-WDEREUQCSA-N 274.368 3.894 30 20 CHED C=CC[C@@H](OC(=O)[C@H]1CC1(F)F)c1ccccc1 835325892 YKEJZQSTCKSBRL-VXGBXAGGSA-N 252.260 3.502 30 20 CHED CCCCCCCC(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 836877221 DILNSBWNCVTZJP-DOTOQJQBSA-N 263.425 3.994 30 20 CHED C[C@@H](CC#N)OC(=O)C(C)(C)Cc1ccc(Cl)cc1 838803650 XKRQCYCBTXOVOF-NSHDSACASA-N 279.767 3.754 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839436505 ZOTZVKJVXQRWBZ-GFCCVEGCSA-N 266.344 3.942 30 20 CHED C=CCCCCCCCNC(=O)Cc1cnccc1Cl 839775077 DLDNWDBNXBKGOW-UHFFFAOYSA-N 294.826 3.920 30 20 CHED CCC(=NNc1ccc(Br)nc1)[C@H]1C[C@@H]1C 841626748 SOJABZHXLRHJAF-WPRPVWTQSA-N 282.185 3.678 30 20 CHED N#CC1(CCOc2cccc(C=O)c2)CCCCC1 842012853 AVLHCXAJTZIDRY-UHFFFAOYSA-N 257.333 3.742 30 20 CHED Cc1cc(COc2cccc(OCC#N)c2)c(C)s1 842108981 WSOFNYWWCLDOQL-UHFFFAOYSA-N 273.357 3.846 30 20 CHED Cc1ccc(C(=O)OC2(C#N)CCC2)c2ccccc12 842320290 RDEGPEPLKXXKDY-UHFFFAOYSA-N 265.312 3.751 30 20 CHED CC(=NNc1ncncc1Cl)[C@H]1C[C@H]2C=C[C@H]1CC2 842531942 SXHBPWQXSUHHEJ-SDDRHHMPSA-N 276.771 3.520 30 20 CHED CCCCSCC(=O)N(CC#N)c1ccc(Cl)cc1 843610977 PNPCIGUZKZRMEI-UHFFFAOYSA-N 296.823 3.730 30 20 CHED C=C[C@H](C)ONC(=O)NC1(c2ccc(Cl)cc2)CCC1 845618418 WOMAMKDQFQTRPJ-NSHDSACASA-N 294.782 3.525 30 20 CHED C=C[C@@H](C)ONC(=O)N(CC)[C@@H](CC)c1ccccc1 845633867 OVPSOFZBCYMPCT-HIFRSBDPSA-N 276.380 3.675 30 20 CHED Cc1cc(C#N)ccc1NC[C@H](c1ccco1)N1CCCC1 846745211 FKCHKWHNGCHBIC-QGZVFWFLSA-N 295.386 3.709 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1S[C@@H]1CCSC1 849892963 UNRCMBFWLCJIOH-MRVPVSSYSA-N 290.335 3.570 30 20 CHED Cc1cc(C)cc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 850366457 BWEJZTVXKMGBPU-INIZCTEOSA-N 294.398 3.884 30 20 CHED C#CC[C@@H](NC1CCC(OCC)CC1)c1ccccc1 850448725 OQPMLWNHASZUEQ-DAWZGUTISA-N 271.404 3.688 30 20 CHED Cc1cc(C(=O)OCC(C)(C)C#N)c(-n2cccc2)s1 850935901 REOJVZJTJHQFIB-UHFFFAOYSA-N 288.372 3.554 30 20 CHED CCCC[C@@](C)(F)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 850986894 TWQHYYOEBUENGF-YVEFUNNKSA-N 299.349 3.724 30 20 CHED CCc1ccccc1CC(=O)O[C@@H](C)CC(C)(C)C#N 851205586 HVXHZEGRWNWKLC-ZDUSSCGKSA-N 273.376 3.663 30 20 CHED CCCCCCCC(=O)O[C@@H](C)c1cn(C(C)C)nn1 851244021 ZMDHSSSNNGMWSD-ZDUSSCGKSA-N 281.400 3.824 30 20 CHED CC(=NN(C)C[C@@H](C)O)[C@H](C)c1ccc(CC(C)C)cc1 853357682 XVSYXUTVGGDKPO-CABCVRRESA-N 290.451 3.677 30 20 CHED CC(C)C#CC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 854760911 KPNCLBAMSUMVDG-MRXNPFEDSA-N 293.769 3.706 30 20 CHED CCCc1ccc(/C=C/C(=O)c2cnn(CC)c2)s1 857203172 YSIQDSSMTKGWDP-CMDGGOBGSA-N 274.389 3.813 30 20 CHED CCCc1ccc(C=NN[C@@H](C)C(F)(F)F)s1 857209732 DYSAJVNLZUTGRU-QMMMGPOBSA-N 264.316 3.575 30 20 CHED C#C[C@H](OC(=O)CC[C@H](C)SC)c1ccc(C)cc1 860964241 KYEWSYVZXOBGLN-ZFWWWQNUSA-N 276.401 3.744 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C/c2cn(C)cn2)cc1 863197283 NJZFHXUPTBFMLR-WTNCMQEWSA-N 268.360 3.830 30 20 CHED C[C@H](CCC#N)CNc1ccc(N2CCCC2)cc1 876820178 LUAHSWGEZFRQOJ-CQSZACIVSA-N 257.381 3.639 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](C)c1cccs1 878279764 QGAURQMUWUNGBS-LLVKDONJSA-N 251.395 3.870 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1cccs1)C1CC1 887857746 PKPRDRKOJZXDAD-CQSZACIVSA-N 263.406 3.918 30 20 CHED C=C1CCC(C(=O)NCC2(c3ccccc3OC)CC2)CC1 888623275 NACYVMHYXPAHSA-UHFFFAOYSA-N 299.414 3.589 30 20 CHED C=C1CCC(C(=O)Oc2ccc([C@H]3CCOC3)cc2)CC1 890197799 IEFWLHPDTJMBFY-INIZCTEOSA-N 286.371 3.842 30 20 CHED CC[C@@H]1c2ccccc2CN1c1ccc(C#N)cc1CO 897353402 ANFVTLUHHCROJI-QGZVFWFLSA-N 278.355 3.522 30 20 CHED CC(C)c1ncc(/C=C\c2nc(C#N)cs2)s1 901544009 MFDOXUCQJFIFTQ-ARJAWSKDSA-N 261.375 3.765 30 20 CHED CC[C@@H](NC[C@@H](C)c1ccncc1)c1cccc(C#N)c1 902832496 NLYZTPZFMKWQAH-RDTXWAMCSA-N 279.387 3.798 30 20 CHED C=CCN(C(=O)c1cc2c(s1)CCCC2)C(C)C 915147602 GASOUTBAJVUTDQ-UHFFFAOYSA-N 263.406 3.664 30 20 CHED CCCCCCCCn1cnc2sccc2c1=O 915668769 RUBJGNWHPHXDPJ-UHFFFAOYSA-N 264.394 3.819 30 20 CHED CSc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1 916409518 BFEUXKIEONJHNF-UHFFFAOYSA-N 297.383 3.602 30 20 CHED C#CCN(Cc1cccc(C#N)c1)[C@H]1CCc2ccccc21 917117931 VXYZKEPGIJAKIA-FQEVSTJZSA-N 286.378 3.681 30 20 CHED C=C(C)CNC(=S)Nc1ccccc1OCCCC 917599684 IIVNRQMHGJFWEF-UHFFFAOYSA-N 278.421 3.728 30 20 CHED CCCc1ccc(C(=O)Oc2ccc(C#N)cc2OC)cc1 920214309 GXNPLPWFXDETQE-UHFFFAOYSA-N 295.338 3.739 30 20 CHED CC(=O)Nc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1 921264814 ZMCQKANUCSRTCC-MHWRWJLKSA-N 291.350 3.776 30 20 CHED CN(C)c1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1 921266150 JSPQHDPMFHVVFR-JLHYYAGUSA-N 297.329 3.550 30 20 CHED C=C(CN[C@@H]1CCCC[C@@H]1CCCO)c1ccccc1 924840490 HGEROMHTQOHKOC-QZTJIDSGSA-N 273.420 3.621 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1nc(C(C)(C)C)cs1 924968363 APGARAMQKHUSJX-LLVKDONJSA-N 279.453 3.859 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccccc1O[C@@H]1CCOC1 925910625 WVYXWVBUHURUCZ-ZIAGYGMSSA-N 288.391 3.595 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc2ccn(C)c12 926255605 OEOTZOZJULARFM-GFCCVEGCSA-N 255.365 3.919 30 20 CHED N#C[C@@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1 932158611 MBCKVZHADJJAKI-NSHDSACASA-N 289.429 3.607 30 20 CHED N#C[C@@H](NC(=O)c1cccc2ccsc12)C1CCCC1 1119444652 DFTDNPRUXQKSEF-CQSZACIVSA-N 284.384 3.713 30 20 CHED C=CCC[C@H](NC(=O)/C=C/c1nccs1)c1ccccc1 1121022209 YGYWEKUTLRDNMV-NKSUMMKUSA-N 298.411 3.980 30 20 CHED C#CCCCOC(=O)c1[nH]c2ccc(C)cc2c1Cl 1122492006 KQRBSEYEMYHFGL-UHFFFAOYSA-N 275.735 3.700 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 1123565759 FFPXUHBABRNKBA-AWEZNQCLSA-N 265.303 3.595 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)s2)c(C)c1 1188752347 XOWZPJFSYRHIFQ-UHFFFAOYSA-N 271.341 3.710 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 1219113040 FCOSMNLPCACQTG-BZUAXINKSA-N 297.402 3.957 30 20 CHED C=CCCSCCNC(=O)N[C@@H](C)c1cc(C)oc1C 1261640926 QTRWWGPHZIMFSL-LBPRGKRZSA-N 296.436 3.566 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)n2)c2ccccc12 1277174611 UFBYOHLDLPKLRA-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1ccc2nc(CSc3cccc(F)c3C#N)cn2c1 1307351620 XNPXGBPHCPSPPK-UHFFFAOYSA-N 297.358 3.946 30 20 CHED C=CCCCCNC(=O)c1ccc2cc(OC)ccc2c1 1321317817 DKIMJJYEKMJFPX-UHFFFAOYSA-N 283.371 3.935 30 20 CHED C#CCCOc1ccc(-c2nnc(CC3CCCC3)o2)cc1 1326987743 NYTQGWRUACBGQB-UHFFFAOYSA-N 296.370 3.871 30 20 CHED CC(C)c1ccc(C2(C(=O)NC[C@@H](C)C#N)CCC2)cc1 1327640280 GTRLGMKCMKXKJI-AWEZNQCLSA-N 284.403 3.508 30 20 CHED CN(C(=O)Nc1sccc1C#N)C1CCC(F)(F)CC1 1333974132 ZJEMKGNNYOOHMZ-UHFFFAOYSA-N 299.346 3.661 30 20 CHED C=C[C@H](OC(=O)Cc1sc(C)nc1C)c1ccccc1 1334247718 PVKPZEQISKRUAR-AWEZNQCLSA-N 287.384 3.773 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1Br 1336425212 CPTRQKINOKOBIJ-UHFFFAOYSA-N 268.154 3.744 30 20 CHED C=C(C)CCC(=O)N1CCC(c2cccc(F)c2)CC1 1336463968 FAYOJOBRWLLSGZ-UHFFFAOYSA-N 275.367 3.888 30 20 CHED C=C1CCC(C(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 1337528521 OUMSLBRLTVTLLV-FQEVSTJZSA-N 295.379 3.555 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1csc2ccccc12 1340891913 KRLIKIAKTGTDOH-NSHDSACASA-N 272.373 3.666 30 20 CHED C#CCN(C(=O)c1ccc(-c2ccccc2)s1)C1CC1 1344873176 IWTMLXDIVNSXAT-UHFFFAOYSA-N 281.380 3.653 30 20 CHED N#Cc1ccc(COC(=O)CC[C@H]2CC2(Cl)Cl)cc1 1346803783 JNRASDAZPIRHQF-LBPRGKRZSA-N 298.169 3.575 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 1354390232 VDTPUHUEMPBWAT-AWEZNQCLSA-N 278.355 3.684 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2CC(F)(F)F)CC1 1354674882 LBSJMINVDZZBAT-UHFFFAOYSA-N 298.308 3.975 30 20 CHED CCc1nc(C#N)cc(Sc2ccc3c(c2)CCCC3)n1 1458449050 ZDTRFDDCVABIAJ-UHFFFAOYSA-N 295.411 3.941 30 20 CHED CCC1CCC(CNC(=O)Nc2sccc2C#N)CC1 1466980507 CQXAIGPOCUFVIL-UHFFFAOYSA-N 291.420 3.958 30 20 CHED N#Cc1nccc(Oc2ccc3c(c2)[nH]c2ccccc23)n1 1472635202 RNHYQGGSXNWYKM-UHFFFAOYSA-N 286.294 3.775 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C(C)(C)C1CCCC1 1521710823 BPNPOKQQQPWYCC-UHFFFAOYSA-N 298.386 3.916 30 20 CHED C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N(CC)CC 1523981110 AQGNLDFONMHGFT-CYBMUJFWSA-N 294.443 3.577 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNCc1ccc(C#N)cc1 1560456449 WGZVFPKHBXPKPW-KEYYUXOJSA-N 256.393 3.720 30 20 CHED COc1cc(CNc2cccc(C#N)c2)c(Cl)cc1O 1560724649 QMJQGRCKQYCZQN-UHFFFAOYSA-N 288.734 3.538 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 1583671798 PYGDHJPXRJCMJA-HZPDHXFCSA-N 284.403 3.811 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)cc2)CC1 1585598239 ZZBVWQYBFATYDY-WBVHZDCISA-N 284.403 3.893 30 20 CHED C=CC[C@@H](N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)O 1588747025 YBVWVCPBOHRCEX-ZIAGYGMSSA-N 297.757 3.549 30 20 CHED C[C@@H](CSc1ccc(C(=O)O)nc1C#N)c1ccccc1 1592829763 ANHXDZWSBSDHEC-NSHDSACASA-N 298.367 3.547 30 20 CHED CN(C)c1cc(NCc2ccc(C#N)cc2)ccc1Cl 1621078532 SWJJCUKPZYEDEY-UHFFFAOYSA-N 285.778 3.890 30 20 CHED Cc1cc(C#N)nc(N[C@H]2CCC[C@H]2CCC(C)C)n1 1639423312 ZJUIYPXRZHPQQF-ZFWWWQNUSA-N 272.396 3.674 30 20 CHED N#CCc1cccc(Nc2ccc(C(F)(F)F)cn2)c1 1639925068 YOZAQXMGCWPHOB-UHFFFAOYSA-N 277.249 3.910 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)c2ccccc21 1644059143 OEBJWKJWBZFNDD-UHFFFAOYSA-N 262.356 3.856 30 20 CHED N#Cc1cc(F)cc(NCc2nccc3ccccc23)c1 1651427528 BGNXLNBGWSLGKH-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1CC1(CC#N)CC1 1652689762 OHFNEPBIDOKINP-QGZVFWFLSA-N 268.404 3.936 30 20 CHED CC1CC(CN(Cc2ccc(C#N)cc2)C(C)C)C1 1653248234 MVMYMFKTJMCUCB-UHFFFAOYSA-N 256.393 3.815 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)CC1(CC#N)CC1 1657321300 VLTMLWSNUXICJX-ZDUSSCGKSA-N 276.811 3.897 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@@H]2c2ccccc2)cn1 1776069377 GXIXHEHURVHIIC-CQSZACIVSA-N 295.342 3.515 30 20 CHED Cc1ccc(C=NNc2cccc(C(=O)O)c2C)c(F)c1 1776088774 HYCXZMKDQFBJNH-UHFFFAOYSA-N 286.306 3.587 30 20 CHED O=C(/C=C\c1ccc(C(=O)O)s1)c1ccc(F)c(F)c1 1776125436 JCSKEDMARSOTOP-DJWKRKHSSA-N 294.278 3.621 30 20 CHED C=C(C)CCCN1CC[C@@H]2C[C@H](CC(=O)O)CC[C@@H]2C1 1776138797 SBZLQNAACROLJJ-BZUAXINKSA-N 279.424 3.556 30 20 CHED C=CCN(CCCCc1cccc(Cl)c1)CCC(=O)O 1776179046 XSQXVFNRGMDJFQ-UHFFFAOYSA-N 295.810 3.625 30 20 CHED CCOc1ccc(NC(=O)Nc2cccc(C#N)c2)c(C)c1 55338811 VRYPYGIJSOUMLJ-UHFFFAOYSA-N 295.342 3.909 30 20 CHED CC[C@@H](C#N)Sc1cccc(Br)c1 55307792 GEZIXYVSCKUXRN-VIFPVBQESA-N 256.168 3.843 30 20 CHED N#Cc1ccc(CCC(=O)N2CCC[C@H]2C2CCCC2)cc1 56034337 RZIGZNCTDLLGRB-SFHVURJKSA-N 296.414 3.672 30 20 CHED CCn1c(S[C@H](C)c2ccc(C#N)cc2)nnc1C1CC1 118173952 XVUMNVMOPQRCJR-LLVKDONJSA-N 298.415 3.900 30 20 CHED Cc1ccccc1OCCCSc1cc(C#N)ccn1 67007022 YQDUYJYSPCQIHF-UHFFFAOYSA-N 284.384 3.823 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 179664566 COLPPKKSEIRMKS-QGZVFWFLSA-N 285.387 3.552 30 20 CHED CCN(c1nc(Cl)c(C#N)s1)C1CCCCC1 310564681 WZGAVMBTTZQWJE-UHFFFAOYSA-N 269.801 3.827 30 20 CHED C[C@H](Nc1c(F)cc(C#N)cc1F)c1ccc(C#N)cc1 111143993 VHZRTZZTUDCLQP-JTQLQIEISA-N 283.281 3.881 30 20 CHED C[C@@H](CNCc1ccc(C#N)cc1)Sc1ccccc1 174608212 GSHASHVCFWKKHR-AWEZNQCLSA-N 282.412 3.829 30 20 CHED Oc1ccccc1/C=N/CCOC1CCCCCC1 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Cc1nc2c(s1)[C@@H](OC(=O)c1ccc(C#N)cc1)CCC2 112765053 YKHBLXWUKKQLNS-AWEZNQCLSA-N 298.367 3.558 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 177026580 JTWDLINCORUINT-CVEARBPZSA-N 273.351 3.566 30 20 CHED CCN(C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(C)C 119042256 AGARNKCYJHSQTL-IRXDYDNUSA-N 299.418 3.608 30 20 CHED C=CCC[C@H](NC(=O)N(CC)C1CC1)c1ccccc1 178453139 VNCQMTKDJOSRBE-INIZCTEOSA-N 272.392 3.888 30 20 CHED N#Cc1cccc(Sc2c(F)cc([N+](=O)[O-])cc2F)c1 301780700 JHKDTLOLPKYCSP-UHFFFAOYSA-N 292.266 3.896 30 20 CHED Cc1cc(C)cc(OCC(=O)Nc2cc(C#N)ccc2C)c1 63960534 KPDREOQBHYZOHF-UHFFFAOYSA-N 294.354 3.501 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] 128064263 MTSGCBSGUJGGGN-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED CC[C@H](C)Oc1ccc(Nc2ncccc2C#N)cc1 301549338 QKTOEYKBNAUCNL-LBPRGKRZSA-N 267.332 3.874 30 20 CHED C[C@@H](Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C#N)c1 37299188 YMMTXXBNRNINHR-SNVBAGLBSA-N 285.278 3.779 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)c1cccc(F)c1 37234677 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N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC12CCC2 417356131 BQVSMIQKUJIUNU-IRXDYDNUSA-N 266.388 3.858 30 20 CHED CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 412308086 NBTGBYOXSLOTPF-YESZJQIVSA-N 296.414 3.699 30 20 CHED Cc1occc1[S@@](=O)CCC1(C#N)CCCCC1 414241934 MFKZZMWGXOCMLS-SFHVURJKSA-N 265.378 3.560 30 20 CHED C=C(C)CCN[C@@H](Cc1cccc(OC)c1)C1CC1 508964207 DCSFUPHTEOBVTP-KRWDZBQOSA-N 259.393 3.572 30 20 CHED C=CCS[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C 134028016 OJJJDKSZZOASNY-OLZOCXBDSA-N 275.417 3.662 30 20 CHED Cc1cccc(C)c1CCNCc1cccc(C#N)c1 132687266 OTIADNLNDQSDRR-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C=C(C)CN(CC)C(=O)CCOc1cccc(Cl)c1 41807368 NYSZGBXKQCBZBS-UHFFFAOYSA-N 281.783 3.534 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@H]1C[C@H]1c1ccccc1 507213180 PVPRVDGTYLRVSC-MOPGFXCFSA-N 276.383 3.794 30 20 CHED CCCCCC[C@@H](C)NC(=O)C1(C#N)CCCC1 44316472 JISKOLJDIHYRTC-CYBMUJFWSA-N 250.386 3.545 30 20 CHED N#CC1(C(=O)Oc2cccc(Cl)c2)CCCCC1 194312112 ASJMNFOBGTVMRX-UHFFFAOYSA-N 263.724 3.719 30 20 CHED 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3.911 30 20 CHED Cc1ccc2c(c1)CN([C@@H](C)c1ccc(C#N)cc1)CCO2 512252916 NFAIQHHGRCSIJB-HNNXBMFYSA-N 292.382 3.822 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1cccc2ccccc12 192040631 QUABXADWDWMBHX-AWEZNQCLSA-N 265.356 3.821 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@@H]2CCC[C@H]21 426469784 RKBXURWBYCNEJW-XHDPSFHLSA-N 260.768 3.586 30 20 CHED C#CCCCC(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 192149576 MEEWDLKCXPFQPA-LLVKDONJSA-N 299.292 3.566 30 20 CHED O/C(=N/[C@H]1CCCc2occc21)c1cccnc1C1CC1 329619466 FFMYHJRZMYBLFZ-AWEZNQCLSA-N 282.343 3.934 30 20 CHED CC[C@@H](/N=C(/O)c1ncoc1C1CC1)c1c(C)noc1C 328924699 DMNFUEIQOOHFHO-LLVKDONJSA-N 289.335 3.613 30 20 CHED CCC(CC)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425123598 DNHYVTDQLZPLKK-LBPRGKRZSA-N 258.365 3.514 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@H]1c1ccccn1 531146865 ONIYIPOOGJCKRT-INIZCTEOSA-N 283.762 3.948 30 20 CHED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCCCC1 193507356 RNUJJRAGOAGCHF-UHFFFAOYSA-N 289.741 3.889 30 20 CHED C[C@H](NC(=O)CCCc1ccccc1)c1ccc(C#N)cc1 46579625 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CCC[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1 540987993 DOXZNILMGVMCNV-QGZVFWFLSA-N 299.418 3.863 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(Cl)c(OC)c1)OCC 279514065 LAROMNKNUYGHTC-ZDUSSCGKSA-N 297.782 3.658 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1c1cccc(C)n1 366999275 VBBHGKXTFOQAEX-ZBFHGGJFSA-N 287.407 3.591 30 20 CHED CC(C)C1(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 454225713 JRONWHZFRBOQBU-UHFFFAOYSA-N 277.755 3.522 30 20 CHED Cc1ccc(S[C@@H](C)C(=O)NCC(C)(C)CC#N)cc1 457993208 VDBKSMRMKSPRLN-ZDUSSCGKSA-N 290.432 3.532 30 20 CHED N#CCc1cccc(NCCCc2ccsc2)c1 453143751 JDUORFFOLZHBJZ-UHFFFAOYSA-N 256.374 3.859 30 20 CHED C=CC(C)(C)CNC(=O)CCc1cc(Cl)cs1 452772943 GYRHXJDNCJDAGU-UHFFFAOYSA-N 271.813 3.663 30 20 CHED C=CC(C)(C)CNC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 452778598 YEUDYIWPFRBPNZ-UHFFFAOYSA-N 290.407 3.591 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1)OCC 270132967 PJNGXLHFTHIAJJ-CYBMUJFWSA-N 299.317 3.598 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C)c(Cl)c1 454152284 IRFBTGJGORMKFX-KGLIPLIRSA-N 294.782 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GXXLGSLXXQBGPB-UHFFFAOYSA-N 296.208 3.620 30 20 CHED C#CCN(Cc1ccccc1)C(=O)NCCCC(C)(C)C 806844604 OUKMKRPHAVQBPL-UHFFFAOYSA-N 286.419 3.658 30 20 CHED CCC(CC)C(=O)Nc1cccc(OCCCC#N)c1 298832277 AHYHWAASGQTJAG-UHFFFAOYSA-N 274.364 3.744 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](c2ccccc2)C1 472847065 DETOTSRSBOFTED-MRXNPFEDSA-N 272.392 3.542 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc([C@H]2CCOC2)cc1 294023312 FHTDOZIPJXRMRZ-AWEZNQCLSA-N 273.376 3.731 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1cc[nH]c1CC 803156566 DAAZGEQMZRYUHO-UHFFFAOYSA-N 298.386 3.727 30 20 CHED CC#CC(=O)N[C@H](C)c1ccccc1Oc1ccccc1 801147617 YQXZSVGLFILZDO-CQSZACIVSA-N 279.339 3.679 30 20 CHED C#C[C@H](NC1CCCC1)c1ccc(Cl)cc1F 809699405 OAMIRLXYVACVPF-AWEZNQCLSA-N 251.732 3.686 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CC[C@H](C)O1 475044281 CVBPAXRJJUVJMN-RYUDHWBXSA-N 285.840 3.957 30 20 CHED C=CCn1c(SCSC)nnc1-c1cccs1 292563752 DFQCVJVFVCOVPB-UHFFFAOYSA-N 283.447 3.605 30 20 CHED Cc1ccc(CC(=O)Nc2ccccc2C#N)c(Cl)c1 475012919 LAQUQYTVLJESHU-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C#Cc1ccccc1CC(=O)N(C)Cc1cccc(Cl)c1 809945755 BDCPUTAGYDBQIQ-UHFFFAOYSA-N 297.785 3.522 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cccc(OCC(C)C)c1 802844112 ULNVQACCSBVZEM-KRWDZBQOSA-N 289.375 3.704 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1-c1ccccc1 806118767 LLIWFUCONREJHX-OAHLLOKOSA-N 278.355 3.887 30 20 CHED C=C(CNc1snc(Cl)c1C#N)c1ccccc1 808073262 HYMAMBOOCJYSIC-UHFFFAOYSA-N 275.764 3.793 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 295129659 NLLZCYSBGXIFFE-CQSZACIVSA-N 286.419 3.676 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ccc2ccccc2n1 293890091 YNJJAZLSIMJMKK-UHFFFAOYSA-N 296.414 3.886 30 20 CHED N#Cc1ccccc1CN(C#N)c1cccc(Cl)c1 478744893 JRRJUNXZOLGJEL-UHFFFAOYSA-N 267.719 3.699 30 20 CHED CC[C@@H]1CCC1=NNCc1cccc2cccnc12 807963521 WQVKKMGKRBXTMH-GFCCVEGCSA-N 253.349 3.500 30 20 CHED C#Cc1ccccc1Cc1nc(-c2sccc2C)no1 810315730 FKVZCYQPLGVZJH-UHFFFAOYSA-N 280.352 3.679 30 20 CHED Clc1cc(NN=CC2CCCC2)cc(Cl)n1 819831576 NKCMCUVYQOMATP-UHFFFAOYSA-N 258.152 3.976 30 20 CHED CCCn1c(C=NOC/C=C/Cl)nc2ccccc21 811672239 UIWJTLRFBRLVJM-URNYPOLCSA-N 277.755 3.549 30 20 CHED C=CCCCCCCCNC(=O)Cc1ccccc1O 811590210 STBHVMMLBFVXRC-UHFFFAOYSA-N 275.392 3.578 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccccc1Cl 812390530 YWTIQQJPGHCISY-YVLHZVERSA-N 275.735 3.673 30 20 CHED C=CCOc1ccccc1C(=O)N1CC(C)(C)[C@H]1C(C)C 480459059 JXJZDSAEUFNLKV-MRXNPFEDSA-N 287.403 3.758 30 20 CHED CCN(C[C@@H](C)C#N)c1nc2cccc(C)c2s1 480072243 KMJIKBMDMPHNSL-JTQLQIEISA-N 259.378 3.591 30 20 CHED C=CCC[C@@H](C)NCc1cc(-c2ccc(OC)cc2)no1 658189066 VSYWXGBEQRZYSL-CYBMUJFWSA-N 286.375 3.795 30 20 CHED C=CCC(F)(F)C(=O)N1CCc2c(cccc2C(C)C)C1 816447492 FCOAQKHMXKJNNV-UHFFFAOYSA-N 293.357 3.906 30 20 CHED COCc1ccccc1/C=C(/C)C=NOC/C=C\Cl 814228738 JHYXXJMILNMWIL-NVHJTWEUSA-N 279.767 3.991 30 20 CHED Cc1ccc(C2=CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 815009697 AXBFUEFKDAXSOR-QAPCUYQASA-N 266.388 3.776 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(F)c2C#N)C1 488342851 CUCBNOUQWMIAJH-CHWSQXEVSA-N 288.366 3.642 30 20 CHED C=CC[C@H](NC(=O)N1CC(C)(C)[C@H]1C1CC1)c1ccncc1 812048026 LGPHOSMIUIVODU-JKSUJKDBSA-N 299.418 3.529 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc3c(c2)CCC3)no1 573734109 SOUSLZDFTCIPSC-GFCCVEGCSA-N 284.359 3.879 30 20 CHED C=CCC[C@@H](C(=O)N1C[C@@H](C)[C@@H](C)C1)c1ccccc1 489070142 HCQONLWOPDATPQ-HLLBOEOZSA-N 271.404 3.851 30 20 CHED CCc1ccc(CCC=NOCCOC(C)C)cc1 812240210 KXBAIGXXPOBFID-UHFFFAOYSA-N 263.381 3.609 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cccc(C)c1Cl 488594269 KJFODQNRRIBRKI-UHFFFAOYSA-N 265.784 3.616 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)CC(C)(C)C3CC3)[nH]c12 815954655 IXJXYGYNXFEKSU-CYBMUJFWSA-N 295.386 3.874 30 20 CHED C=CCC[C@@H](C(=O)OCC1(OC)CCC1)c1ccccc1 811169795 CPHNMYFFIAHBBV-MRXNPFEDSA-N 288.387 3.849 30 20 CHED C=C1CCN(Cc2cncc(OCc3ccccc3)c2)CC1 487918793 SRCLACZEWHCAQZ-UHFFFAOYSA-N 294.398 3.813 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1cccc(OC(C)C)c1 488865401 DZCFFSSEWRIZFR-MRXNPFEDSA-N 287.403 3.583 30 20 CHED C=CCCCCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 811013648 DTJJYFZQXGWYQF-DHZHZOJOSA-N 275.304 3.508 30 20 CHED COc1ccc([C@H](C)C(C)=NNC[C@@H]2CCSC2)cc1 811657429 NMOQZMCPFVYLAD-OCCSQVGLSA-N 292.448 3.517 30 20 CHED C#C[C@H](NC(=O)c1cc(Cl)c(F)cc1Cl)C(C)C 816563752 JDIOAPOLVYRHFL-LBPRGKRZSA-N 288.149 3.520 30 20 CHED C#C[C@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1ccc(Cl)cc1F 491325602 FAXSOCJAGPGJHB-DZJQYVJYSA-N 295.785 3.699 30 20 CHED CCCCCCCCCOC(=O)[C@@H]1CCCOC1 727903119 FWGDNNVUJHBESV-CQSZACIVSA-N 256.386 3.707 30 20 CHED Cc1cccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)c1 728439121 FGUSEBUSWQUYDQ-SREVYHEPSA-N 295.169 3.931 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N(C)CCC#N 499104894 DTHUYBUNRIPMQY-HNNXBMFYSA-N 264.413 3.745 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)OCc1ccc(F)cc1C#N 728624847 LSOCKMKOMMFQNP-STQMWFEESA-N 289.350 3.957 30 20 CHED C=CCCCNCc1cccc(-c2ccncc2)c1 574514660 FRGVWVUTTYEINR-UHFFFAOYSA-N 252.361 3.804 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(Br)cnc1C 821505419 FQBVHDLATGMHDZ-JTQLQIEISA-N 297.196 3.693 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@@]1(C)CC1(Cl)Cl 822858076 BCJFCVANQKKUAE-ZDUSSCGKSA-N 297.185 3.779 30 20 CHED Cc1ccc(O)c(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 822526519 WBAFTVUQCHSRIZ-AWEZNQCLSA-N 280.371 3.765 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2OC)C1 665493012 LPROAKYJFXUCLZ-LBPRGKRZSA-N 292.354 3.654 30 20 CHED CCCCCCCCNC(=O)C1(C)CCC(=O)CC1 827689695 GORCMFVKDQBNMS-UHFFFAOYSA-N 267.413 3.613 30 20 CHED CCCCCCCC(=O)Nc1cnc2onc(C)c2c1 725738941 XJYPHZGTDQNBQI-UHFFFAOYSA-N 275.352 3.830 30 20 CHED CCOc1ccccc1C=NNc1cccc([N+](=O)[O-])c1C 727973301 XTWQDLCMJFURAY-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C#CCN(Cc1ccccc1)C(=S)Nc1cccc(C)c1 491127967 YMJDHQMVHQTZFM-UHFFFAOYSA-N 294.423 3.827 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@](C)(C#N)C1 821867998 NISICNHMLYBNLU-HKUYNNGSSA-N 298.430 3.716 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1c(C)cc(C)nc1C 667118738 YASLBOVRAYTNBE-UHFFFAOYSA-N 275.396 3.873 30 20 CHED CC[C@@H](NC(=S)N(CC)C[C@@H](C)C#N)c1cccs1 734374858 OJCPJNCJSYKEND-NWDGAFQWSA-N 295.477 3.555 30 20 CHED C=CCCCCNC(=O)N[C@H](C)CCCC(F)(F)F 494797470 ZNPFKKBKIHMWCJ-LLVKDONJSA-N 280.334 3.763 30 20 CHED Cc1cccc(C=NNc2ccccc2[N+](=O)[O-])c1C 731152339 QSTQKTHNTQITBD-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CCCCCCCC(=O)N[C@H]1CCCc2nc(C)ncc21 734793113 GDFOYHOEDQHSJJ-INIZCTEOSA-N 289.423 3.639 30 20 CHED C=CCCCCCN(C)C(=O)c1ncoc1C(C)C 739653312 BCIJIFXCTABIGR-UHFFFAOYSA-N 264.369 3.616 30 20 CHED C[C@H]1C[C@@H](CC(=O)N(C)CC(C)(C)C#N)CC(C)(C)C1 497439525 KTFUPYBQOQTWFQ-KBPBESRZSA-N 278.440 3.847 30 20 CHED C=CCCCCCN(C)[C@@H](c1ccccc1)c1nc[nH]n1 660766729 ICURNDXGFSMZSU-INIZCTEOSA-N 284.407 3.572 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 833971681 LHRICZCBUSZRNK-QBPKDAKJSA-N 291.435 3.539 30 20 CHED CN(CC(C)(C)C#N)C(=O)C[C@@H]1CCCCC1(C)C 497399458 GASKJBVJOQXJOB-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccccc2OCC#N)[C@H](C)C1 736033284 KSBOLTMMSUJUEG-UMVBOHGHSA-N 287.359 3.570 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)[C@H]1CCC[C@@H](C)C1 832690457 HRRXOXDUIMVHPN-VYDXJSESSA-N 286.419 3.893 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2csnn2)CCCCC1 839438525 PVZBUNUWHJFXIZ-NSHDSACASA-N 280.393 3.669 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1N[C@@H](C)COC 907951113 WUYXLMIQEVDFRJ-ZDUSSCGKSA-N 290.407 3.674 30 20 CHED C=C(Cl)CNC(=O)c1ccccc1-c1ccccc1C#N 736240224 IGLNYFYNCJARQG-UHFFFAOYSA-N 296.757 3.708 30 20 CHED Cc1ccc(CC=NNc2nccnc2C(C)C)cc1 834978581 VVLCAEWXEFFELO-UHFFFAOYSA-N 268.364 3.549 30 20 CHED C=CC[C@H](CC)NC(=O)CCCC(=O)c1ccccc1 907962859 ODNLRRWUEHQQQY-HNNXBMFYSA-N 273.376 3.511 30 20 CHED CN(C)c1ccc(C=NNc2cc(F)c(F)cc2F)s1 734302989 YMUFWAIEBRGKJH-UHFFFAOYSA-N 299.321 3.677 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccsc1 678861021 WWNWKUQBTCMNIP-GFCCVEGCSA-N 266.410 3.634 30 20 CHED CC[C@H](N[C@@H](C)c1ccc[nH]1)c1cccc(C#N)c1 902889229 FBIZCFLJPWNJLO-WFASDCNBSA-N 253.349 3.688 30 20 CHED CCC(=NNc1cc(C#N)cc(Cl)n1)C1CCC1 834967819 VFJRJHCTKRZJKJ-UHFFFAOYSA-N 262.744 3.585 30 20 CHED COCC1(CN[C@H](C)c2ccc(C#N)cc2)CCCCC1 582934155 CWHBOAMNGSSMJL-OAHLLOKOSA-N 286.419 3.806 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCOc2c(OC)cccc21 678588881 NRGHMCWZOYCIGS-DZGCQCFKSA-N 275.392 3.853 30 20 CHED CCc1cnc(CNc2ccc(OC(C)(C)C)c(C#N)c2)o1 834636197 SCHGLKMUKBKYBO-UHFFFAOYSA-N 299.374 3.898 30 20 CHED Cc1c(C(=O)COC(=O)C#CC(C)(C)C)oc2ccccc12 838374493 IIVCMIQLSBTANS-UHFFFAOYSA-N 298.338 3.517 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1 835077498 UPCQZOGXNREYKR-JHJVBQTASA-N 282.343 3.686 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C\c1cccs1 919895368 FJTXDIJDYAXFTR-VURMDHGXSA-N 298.367 3.670 30 20 CHED CCc1nnc(S)n1N=CC[C@H](C)CCC=C(C)C 916301209 YAFJNMAVPDHKHL-GFCCVEGCSA-N 280.441 3.736 30 20 CHED C=CC(C)(C)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 835167368 ZNESBPRPUMVTTC-UHFFFAOYSA-N 283.711 3.504 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)/C=C/c1ccco1 918169387 FGIKKMXXDCAFHJ-MDZDMXLPSA-N 285.318 3.647 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cnc3ccc(F)cc3c2)C1 839050496 BMJVVBVZTFRKGI-NHYWBVRUSA-N 298.317 3.613 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1oc2c(C)ccc(C)c2c1C 594088792 OIWOYCBQPHMHKH-CYBMUJFWSA-N 284.359 3.732 30 20 CHED CC[C@@H](C)C(C)=NNc1ccc(C(F)(F)F)cn1 915917666 JRUCCUJGSKEKKV-MRVPVSSYSA-N 259.275 3.934 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C#N)CC)c1cccc(Cl)c1 599237300 JIGLVMQOYGFASF-ZIAGYGMSSA-N 278.783 3.642 30 20 CHED Cc1cc(C)c(NN=Cc2csc(C)n2)c(C)c1 916339726 UNHNVQXBXYLXDJ-UHFFFAOYSA-N 259.378 3.823 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc2c(c1)COC2 743436065 QZDFFWXUBQSZFN-UHFFFAOYSA-N 270.307 3.692 30 20 CHED Fc1ccc2c(c1)C(=NNc1ccc3ccccc3n1)CO2 918153876 RQUPDBOKJLMPMP-UHFFFAOYSA-N 293.301 3.583 30 20 CHED FC(F)Oc1ccc(C=NOCc2ccccc2)cc1 849730449 CAMDGZFGSUDORX-UHFFFAOYSA-N 277.270 3.839 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 837586849 CPJDDKWGVBKMSS-ZBFHGGJFSA-N 287.378 3.628 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C=C\c1ccccc1 743683232 BXNLPJMOXITIIN-YPKPFQOOSA-N 291.394 3.957 30 20 CHED C=C(CC)CNC(=S)Nc1ccc(F)c(Cl)c1 840826740 UMOZZOGVSSYLEZ-UHFFFAOYSA-N 272.776 3.732 30 20 CHED CC(=O)Nc1ccc(C=NNc2cc(C)ccc2C)cc1 916345508 CEADFBCGXUXJBF-UHFFFAOYSA-N 281.359 3.708 30 20 CHED FC(F)(F)c1ccc(CON=Cc2ccco2)cc1 749117108 RCBSLCKMUNHNRJ-UHFFFAOYSA-N 269.222 3.849 30 20 CHED C=C(Cl)COC(=O)c1ccccc1Oc1ccccn1 741001855 GNUJGYWUHUROAS-UHFFFAOYSA-N 289.718 3.783 30 20 CHED Cc1nc(CCSCCc2ccc(C#N)cc2)cs1 596386103 XJMLECPDSCGCDZ-UHFFFAOYSA-N 288.441 3.842 30 20 CHED CCN(CC)c1ccc(/C=N\[C@H]2CCCSC2)c(O)c1 749008266 UBAQXSZHPPUVJT-FMNVXAMXSA-N 292.448 3.553 30 20 CHED C=CCC[C@@H](CC)Nc1ccccc1OCCOC 679140863 HQVASYREERGZAN-CQSZACIVSA-N 263.381 3.869 30 20 CHED C=C(C)CCOC(=O)COc1cccc(C(F)(F)F)c1 744305118 NNIQJVJLTNSNPL-UHFFFAOYSA-N 288.265 3.594 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)o1 745624857 ORRXOEAZTLFCHY-LPWJVIDDSA-N 298.390 3.894 30 20 CHED Cn1cccc1C=NNCc1ccc(-c2ccccc2)cc1 748085788 NOBPDCPVWRAJFW-UHFFFAOYSA-N 289.382 3.816 30 20 CHED C=CCN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C(C)C 916046979 DSNAERKJDUTNHJ-RYUDHWBXSA-N 277.330 3.778 30 20 CHED CC[C@@](C)(NCc1ccc(OC)c(C#N)c1)c1ccccc1 742370141 SCZLOWVPPDVELQ-LJQANCHMSA-N 294.398 3.982 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2nc(C)cc(C)c2C#N)c1 598853088 LKJHXYSJSPSBHR-AWEZNQCLSA-N 293.370 3.621 30 20 CHED CCCCCCC[S@](=O)Cc1ccccc1C(=O)OC 844288203 LLVGHTWZADWGIA-FQEVSTJZSA-N 296.432 3.692 30 20 CHED CC#CCOC(=O)C[C@H](C)c1ccccc1C(F)(F)F 745224006 VJSRTMQPVNXTJH-NSHDSACASA-N 284.277 3.766 30 20 CHED CC(C)(C#N)C(=O)NCc1ccc(-c2cccs2)cc1 597975246 FATVIOQKWGVZIJ-UHFFFAOYSA-N 284.384 3.581 30 20 CHED C=C(C)CCOC(=O)Cc1ccc2ccccc2c1 744303433 AQOAXQSDMPBTNL-UHFFFAOYSA-N 254.329 3.892 30 20 CHED CCCCC/C(C=NN1CCOCC1)=C\c1ccccc1 916289379 CHDUELQYTITNAG-IAYZKRESSA-N 286.419 3.968 30 20 CHED C=CCCOC(=O)[C@@H](C)CCc1cccc(F)c1 744048754 AHKCVGDPSFFPBC-LBPRGKRZSA-N 250.313 3.514 30 20 CHED C#CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 841330867 GIXHXBFYAUCXTM-ZWKOTPCHSA-N 283.415 3.975 30 20 CHED C=CCN(C(=O)NCCc1cc2ccccc2o1)C(C)C 740482271 UGFWNUGRPPJSNZ-UHFFFAOYSA-N 286.375 3.581 30 20 CHED CC(C)(CC(F)(F)F)NC(=O)Nc1cccc(CC#N)c1 590854482 RZOFWQAEUFHZMH-UHFFFAOYSA-N 299.296 3.605 30 20 CHED C#CCOc1cccc(NC(=O)[C@H](C)c2cccc(F)c2)c1 741924297 FHXTULLNKHFBCO-CYBMUJFWSA-N 297.329 3.580 30 20 CHED COCCc1cccc(-c2ccc([C@@H](C#N)OC)cc2)c1 844231667 UKLOBKFSDRYQDX-GOSISDBHSA-N 281.355 3.754 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCc1ccc(C#N)cc1 595429728 JGSUDQXNIADBGT-IUODEOHRSA-N 296.336 3.764 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(C(F)(F)F)cc1 746577437 VQODTQPVQKLZGO-NSHDSACASA-N 286.297 3.920 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=S)Nc1cccc(CC#N)c1 840823666 OSUXBKUQMKLBEV-WFASDCNBSA-N 287.432 3.618 30 20 CHED C#CCOc1ccc(C(=O)N(CCCC)[C@@H](C)CC)cc1 741533175 OYKOUSNOCQBSHC-HNNXBMFYSA-N 287.403 3.739 30 20 CHED C[C@H](Cc1ccccc1Cl)/N=C\c1cccc(O)c1O 915980025 WRQOFJNTMLBMTO-IPHDDYSGSA-N 289.762 3.801 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)CCCCCC#N 590768241 ORMDBEPJEGVJJH-HUUCEWRRSA-N 264.413 3.793 30 20 CHED C[C@@H]1CCN(C(=O)CC2(C#N)CCCCC2)CC12CCC2 597464588 CADUSLRJMLOLJF-OAHLLOKOSA-N 288.435 3.889 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccc2c(c1)COC2 742435625 WJEVNHJQNSLSLJ-KXFIGUGUSA-N 286.277 3.891 30 20 CHED N#CCC1(CSCCc2ccc3c(c2)CCO3)CC1 596342696 ZPFZQCAYGGJUOH-UHFFFAOYSA-N 273.401 3.591 30 20 CHED CO[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1O 840708416 FYCBEFUGHFKEHC-OPMRDKFTSA-N 288.174 3.685 30 20 CHED CC1(C)C(=NNc2cc(F)c(F)c(F)c2)[C@H]2CCCO[C@H]21 747641815 FQHYDJPINCQECC-YMTOWFKASA-N 298.308 3.707 30 20 CHED C=CCCSCCNC(=S)Nc1cccc(C)c1C 849278426 XXAYTUNLRITOIQ-UHFFFAOYSA-N 294.489 3.899 30 20 CHED CC1(C)CN(CCCCC2(C#N)CCC2)CCS1 929814364 YDVIHDMGMYPJNZ-UHFFFAOYSA-N 266.454 3.678 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc(F)cc(Cl)c1 851210422 VDMQGOCVRRFSTC-VIFPVBQESA-N 283.730 3.964 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C2CCC3(CC2)CC3)C1 851084849 XWQHDHPOOVPCCT-GXTWGEPZSA-N 261.365 3.582 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 757953991 XMSILRNEMIUAJY-HEHGZKQESA-N 286.444 3.779 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(CCC)cc1)OCC 756581864 UZFLHGCIRJEUTA-INIZCTEOSA-N 276.376 3.916 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H]1c1cccs1 929372406 PBWYQBZHHMTSKJ-OAHLLOKOSA-N 296.395 3.906 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc(C)cn1 851141785 DBYJPLMEQUSMDX-ZFWWWQNUSA-N 259.349 3.682 30 20 CHED COc1ccc(NN=Cc2cnc(C3CCC3)s2)cc1 750922649 RPECPVSDIVQXQM-UHFFFAOYSA-N 287.388 3.865 30 20 CHED C=C(C)CN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 751558561 CFGPNGISUVMKBE-QZTJIDSGSA-N 273.420 3.931 30 20 CHED CC/C(=C\C(=O)N1CCC[C@@H](C#N)C1)c1ccc(C)cc1 928220997 LKIFJTKCDHLXMJ-KFXIKWRMSA-N 282.387 3.551 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@@H](C#N)C1 928221573 NLVOXWBEOIBPGO-BCNIOPEESA-N 288.778 3.505 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2cc(C)cc(C)c2)o1 751513964 ORRCVNZZUHXTJD-FNORWQNLSA-N 298.338 3.969 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc(SC)cc1)OCC 756471830 LWKSGYMZMXEYNM-HNNXBMFYSA-N 294.416 3.823 30 20 CHED C#C[C@@H](OC(=O)CCCF)c1cccc(C(F)(F)F)c1 851086729 GBEZVPDVVNCMCR-GFCCVEGCSA-N 288.240 3.673 30 20 CHED Cc1cscc1C(=O)O[C@@H](C)CC(C)(C)C#N 851208869 FZCNFLPPRUQMCP-JTQLQIEISA-N 251.351 3.542 30 20 CHED CC(C)CN(C(=O)C[C@H](C)C1CC1)c1ccc(C#N)cc1 920819757 YLQDRRKTCYOUSZ-AWEZNQCLSA-N 284.403 3.983 30 20 CHED C=C[C@@H](OC(=O)CCc1cccnc1Cl)C(C)(C)C 851008525 RZMZZXYATINMOO-GFCCVEGCSA-N 281.783 3.812 30 20 CHED C#CC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 756957012 JIAUTCKNANHOQW-HNNXBMFYSA-N 291.310 3.643 30 20 CHED C=C[C@H](CC(=O)n1ccccc1=NC(C)C)c1ccccc1 759781054 RWRPCEPHHMCTSF-MRXNPFEDSA-N 294.398 3.797 30 20 CHED Fc1ccc(NN=Cc2nc(-c3ccccc3)cs2)nc1 755707111 SVKYGKYPXXDENN-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CCCCCCCCCNC(=O)N(C)[C@H]1CCSC1 756659044 MWCMBRVBCXNTPI-AWEZNQCLSA-N 286.485 3.884 30 20 CHED Clc1cc(NN=C2CCC[C@H]2c2ccccn2)ccn1 853394835 ADJKLBVIQPPSMD-LBPRGKRZSA-N 286.766 3.866 30 20 CHED C#CCN(Cc1cccnc1Cl)[C@H]1CCc2ccccc21 750855394 DIDQXFOUGZZJAH-KRWDZBQOSA-N 296.801 3.858 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1c(C)[nH]c2ccccc12 755987926 HAISTWYHNZTNSB-GFCCVEGCSA-N 257.333 3.527 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)c1ccccc1 862093985 CJLQCLXCLAGRIU-IPMKNSEASA-N 289.378 3.589 30 20 CHED C#CC(C)(C)NC(=O)Nc1cccc(COC(C)(C)C)c1 933217514 FNXJUKTXYSXVDZ-UHFFFAOYSA-N 288.391 3.535 30 20 CHED CCC(C)(CC)C(=O)O[C@H](C)c1cccc(C#N)c1 767968265 LZRABTVGKLZLDV-GFCCVEGCSA-N 259.349 3.989 30 20 CHED CCCCCCC[S@](=O)Cc1csc(COC)n1 764460054 CCTDUSMTUXAPOF-SFHVURJKSA-N 289.466 3.509 30 20 CHED CC#CCCOC(=O)[C@@H](C)Sc1ccc(Cl)cc1 760294332 HNJOFPUVZWENGD-LLVKDONJSA-N 282.792 3.777 30 20 CHED S=c1[nH]c2ccccc2nc1NN=C1CC2(CC2)C1 863125390 VAPUUOKVWPYMSK-UHFFFAOYSA-N 270.361 3.634 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnn(C)c1-c1ccccc1 935976673 DIZUFAWDSQPQJT-ZDUSSCGKSA-N 283.375 3.628 30 20 CHED C#CCCCOc1c(C(C)=O)ccc(Cl)c1Cl 766289305 LBWIYFJTGUGRFH-UHFFFAOYSA-N 271.143 3.988 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC)c2ccccc12 862976139 IJMDZIPOQHTJLQ-UHFFFAOYSA-N 281.355 3.981 30 20 CHED C#C[C@H](C)N(C)Cc1cc2oc3ccccc3c2cc1O 766665016 BYDGXTQSCLNBBU-LBPRGKRZSA-N 279.339 3.745 30 20 CHED C=CCCCOc1c(C(=O)O)ccc2ccccc12 71273952 OTRYDWFKDWZRNF-UHFFFAOYSA-N 256.301 3.883 30 20 CHED Cc1cc(OC(=O)C2(c3ccccc3)CC2)ccc1C#N 765094538 LVTGGIHTOGUSDE-UHFFFAOYSA-N 277.323 3.504 30 20 CHED C=CCCc1noc(-c2cnn(C3CCCCC3)c2)n1 1117779397 KULCPFYVUVJQTB-UHFFFAOYSA-N 272.352 3.557 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1ccc(C#N)cc1F 761494889 GTQCXARYAUITMF-NSHDSACASA-N 277.339 3.813 30 20 CHED C#CC[C@@H](OC(=O)c1cccc(C(C)C)n1)c1ccccn1 762073631 CHAQQMNKLPPTCC-QGZVFWFLSA-N 294.354 3.521 30 20 CHED COc1cccc(NN=C2C[C@H](OC(C)C)C2(C)C)c1 764905731 POFBUNGVKJWEHU-HNNXBMFYSA-N 276.380 3.687 30 20 CHED Fc1ccc(NN=Cc2nc(-c3ccccc3)c[nH]2)cc1 1116024063 NITUXOKGCDKYBB-UHFFFAOYSA-N 280.306 3.662 30 20 CHED C=CCCCOc1ccc([C@@](C)(O)C(F)(F)F)cc1 772899604 KPWPFIBIXMORBC-CYBMUJFWSA-N 274.282 3.801 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)nc1 773030554 SPSBISXHBGKFSG-JTQLQIEISA-N 289.741 3.597 30 20 CHED CC(Cc1cccc(F)c1)=NOCCC(F)(F)F 777455743 KSPZITZNWBYVBU-UHFFFAOYSA-N 263.234 3.713 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C)cc1OC 779857707 XYZJMEJGLFQRJM-UHFFFAOYSA-N 259.349 3.526 30 20 CHED C=CCn1cnnc1SCc1ccc(Cl)cc1C 1116640040 FQISLPGNQBBOPB-UHFFFAOYSA-N 279.796 3.718 30 20 CHED Cc1cnc(Cl)c(C(=O)O[C@@H](C#N)C2CCCCC2)c1 885110664 BDAFCTBSTXXIJN-ZDUSSCGKSA-N 292.766 3.673 30 20 CHED C=CCC[C@@H](NC(=S)N[C@@H](C)CC)c1ccccc1 771851907 WOLBBJWRMWAVQU-DZGCQCFKSA-N 276.449 3.957 30 20 CHED CCc1ccsc1C(=O)O[C@H](CC#N)c1ccco1 1123369452 NPIUSWIHZJIGIH-GFCCVEGCSA-N 275.329 3.715 30 20 CHED FC(F)(F)CCON=Cc1ccc2cnccc2c1 782281123 AZJLGEAGHOMCLV-UHFFFAOYSA-N 268.238 3.538 30 20 CHED C=CC(C)(C)CC(=O)N1Cc2ccccc2N2CCC[C@@H]2C1 882817218 RTBDYMLVUXKNTL-MRXNPFEDSA-N 298.430 3.600 30 20 CHED Cc1ccc(-c2nc(C=NNc3ccnc(F)c3)co2)cc1 781126455 BNVDEANXLNPLIX-UHFFFAOYSA-N 296.305 3.630 30 20 CHED C=CCC[C@H](C(=O)Nc1ncc(CC)o1)c1ccccc1 889389336 XPIMESACRVBYFW-HNNXBMFYSA-N 284.359 3.926 30 20 CHED CC[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(C)cc1 784531990 VABPOJQJCNJGAW-CQSZACIVSA-N 259.349 3.929 30 20 CHED CCc1c(Cl)nc(-c2ccccc2)nc1NCCC#N 784604977 WBIWCRRYQHLTSS-UHFFFAOYSA-N 286.766 3.685 30 20 CHED C#CCCCCCC(=O)N(C)c1cccc2ncccc12 780013698 YVERKWRJMPICTC-UHFFFAOYSA-N 280.371 3.781 30 20 CHED C=C1CC(c2noc(CCCOc3ccc(F)cc3)n2)C1 896890944 ZELXKHMJLBMEBR-UHFFFAOYSA-N 288.322 3.654 30 20 CHED C=CCC(C)(C)C(=O)OCc1cnc2ccccc2c1 796473652 MFAUPHSLDBACEI-UHFFFAOYSA-N 269.344 3.880 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCC12CCC2 799867065 BNGVXDMWGULJAK-UHFFFAOYSA-N 273.405 3.602 30 20 CHED C[C@@H](C=NNc1ncncc1F)CC1CCCCC1 793211467 MOHLOKCODXJIKR-LLVKDONJSA-N 264.348 3.620 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C)ccc1N(C)C(C)C 790845276 OTZQAAUYXSNPJM-UHFFFAOYSA-N 286.419 3.654 30 20 CHED C#CCCOc1ccc(CNc2ccccc2C#N)cc1 798189514 WLPUIARKEMADSK-UHFFFAOYSA-N 276.339 3.572 30 20 CHED N#Cc1cnc(C(=O)Nc2ccc3occc3c2)c(Cl)c1 1132270129 LJBMRUSLZFJUDE-UHFFFAOYSA-N 297.701 3.605 30 20 CHED Fc1cncc(CON=C(c2ccccc2)C(F)(F)F)c1 795586324 CNIBZGFLAIPVHK-UHFFFAOYSA-N 298.239 3.704 30 20 CHED C[C@@H]1COCCC1=NOCc1ccc(C(F)(F)F)cc1 794524507 YWAUDEDZDVPEQB-SNVBAGLBSA-N 287.281 3.634 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1C 1201839641 NTLDGLWIVZOUOX-UKRRQHHQSA-N 285.391 3.815 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1cccc(C#N)c1C 1201839644 NTLDGLWIVZOUOX-ZFWWWQNUSA-N 285.391 3.815 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1OC(C)C 799724434 MHZCQYTZVGYANK-DZGCQCFKSA-N 258.365 3.886 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)CO1 1205493091 QLKFXOFVMDNDLN-CJNGLKHVSA-N 294.354 3.940 30 20 CHED C=C(CNC(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1206061375 GWZPTIFMCYTESP-UHFFFAOYSA-N 295.317 3.532 30 20 CHED Fc1ccc(/C=C/C=NNc2nccnc2Cl)cc1F 794912317 CGJWZUVHTQIFHU-ITUCHRIJSA-N 294.692 3.519 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NNCC1(C)CCCC1 793082466 YUVUKWZWSYARCR-UHFFFAOYSA-N 290.455 3.759 30 20 CHED COc1cc(/C=C/C(=O)c2cc(C)on2)ccc1SC 791431587 IZBOLHBJUFAGLJ-GQCTYLIASA-N 289.356 3.610 30 20 CHED COc1cccc(CCCNc2cccc(C#N)c2)c1 76287110 CPMQOOTWOMYRBT-UHFFFAOYSA-N 266.344 3.612 30 20 CHED COc1cc(C#N)ccc1CNc1cc(C)cc(C)c1 83492939 OESCSWNTPREGPI-UHFFFAOYSA-N 266.344 3.796 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(Cl)cc1F 19423623 HVDFBBSSOHAICQ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(CN2CCCC2)c1 1326599749 PWDUOUYRDXUHHA-UHFFFAOYSA-N 286.419 3.823 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1ccc(OCC#N)cc1 1323505171 JYVHGYSTTWCTJM-SFHVURJKSA-N 278.355 3.997 30 20 CHED C=CCC1(NC(=O)CCNc2ccccc2)CCCCC1 1324691002 XNKALXDKFFAQSF-UHFFFAOYSA-N 286.419 3.884 30 20 CHED CCCCCCCCCCNc1ncc(C(=O)O)cn1 78921327 XKVHVPNPZKVOBQ-UHFFFAOYSA-N 279.384 3.727 30 20 CHED C=C(Br)COc1ccc([N+](=O)[O-])cc1Cl 59927172 JILWCULIYGSVEX-UHFFFAOYSA-N 292.516 3.536 30 20 CHED N#Cc1ccc(CCOc2cccc(Cl)c2)cc1 41328783 SFLGGZCLCVXPQA-UHFFFAOYSA-N 257.720 3.833 30 20 CHED CCC[C@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 708438884 CGFWDOLBTFHUIC-VIFPVBQESA-N 269.801 3.685 30 20 CHED C=CC[C@@H](C)NCc1c(F)cccc1Br 192573576 WFEBPTDSQLBMJK-SECBINFHSA-N 272.161 3.642 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1320706647 KQKQXCWEQGHESO-JQWIXIFHSA-N 296.773 3.641 30 20 CHED C=CCC[C@H](NCCC1CCOCC1)c1ccco1 1327889383 HKLLVKAYSSRROT-HNNXBMFYSA-N 263.381 3.693 30 20 CHED CO[C@H](CNc1nc(C)c(C#N)cc1Cl)C1CCCC1 692983804 RMHWUJOKAYSESK-CQSZACIVSA-N 293.798 3.532 30 20 CHED C=CCCCCN(C)Cc1nc(C(F)(F)F)cs1 578149582 OKFQKNPXHFYNDG-UHFFFAOYSA-N 278.343 3.950 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1F 695736322 DQFZKMNBTKVPMR-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1nc(CCSc2cccc(F)c2C#N)cs1 1189433743 ZNWGGSGENAMAER-UHFFFAOYSA-N 278.377 3.797 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(-c2cnco2)cc1 1336215713 FCDQIBRMYSAJKX-INIZCTEOSA-N 296.370 3.912 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(C(F)(F)F)c1F 94351140 WFEATYSOXROTEM-UHFFFAOYSA-N 287.256 3.659 30 20 CHED C=C(C)CCC(=O)N1CCC(OC2CCCCC2)CC1 1336465545 RSRVOPSOGMHUNJ-UHFFFAOYSA-N 279.424 3.683 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(F)c1 1345865165 YCHCPXCGYWWPRK-CQSZACIVSA-N 287.338 3.660 30 20 CHED Cc1cccc([C@H](C)CNc2cccc(CC#N)n2)c1 1342844897 ZDYWEZOSQDYAQI-CQSZACIVSA-N 265.360 3.672 30 20 CHED C=CCC1(C(=O)[C@@H](C#N)c2cccc(F)n2)CCCC1 1344050198 MFELNOULDHFVCS-LBPRGKRZSA-N 272.323 3.533 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)s1)c1ccc2c(c1)CCC2 1358125850 RZODMJUZDHTDSE-LLVKDONJSA-N 296.395 3.599 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1cc(Cl)ccc1F 1435800220 XKSANMCZELPBKO-YMTOWFKASA-N 282.746 3.596 30 20 CHED Cc1ccc(F)cc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1436969959 RNTJUJJZKPMHOA-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED C=C(CC)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 1518983713 YWOHVXBKNCDHTM-UHFFFAOYSA-N 286.297 3.676 30 20 CHED N#Cc1ccc(F)c(NC(=O)C[C@@H]2CCc3ccccc32)c1 1525019103 QBNMLZOFXDXXTA-AWEZNQCLSA-N 294.329 3.756 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2CC2CCCCC2)n1 1461941440 VLBIEZQTMKBRQP-GOSISDBHSA-N 283.419 3.888 30 20 CHED N#Cc1cc(F)cc(NCc2cc3ccncc3s2)c1 1461691609 IGFRIIRBKRNZDB-UHFFFAOYSA-N 283.331 3.919 30 20 CHED CCCOc1cccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 1535478702 GUXAXJOOBRYJSP-XJKSGUPXSA-N 287.359 3.715 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)[C@@H]1CC2CCC1CC2 1474624422 SZAPQEXFJIENQR-LEDLJOFTSA-N 282.431 3.905 30 20 CHED Cc1cc(C#N)nc(NCC[C@H](C)CC(C)(C)C)n1 1472758533 VPGCZZOAOGSMIO-NSHDSACASA-N 260.385 3.531 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1N[C@H](C)c1ccccc1 1568983264 CJQSVKRAYIIRAU-ZIAGYGMSSA-N 293.370 3.958 30 20 CHED COc1cccc2c1CCCCN2C[C@H](C)CCC#N 1560861407 NJCCQDFXIBGFEO-CQSZACIVSA-N 272.392 3.778 30 20 CHED N#Cc1ccc(COc2ccc(F)cc2Cl)s1 1651619048 SZRKTFGSANVASH-UHFFFAOYSA-N 267.712 3.991 30 20 CHED Cc1cc(N2CCC[C@H]2c2ccc(F)cc2F)ncc1C#N 1651942813 SCEZKOJVNZLNOI-INIZCTEOSA-N 299.324 3.881 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1CC1(CC#N)CC1 1660269334 DRVGVOISLGQQOT-WBVHZDCISA-N 268.404 3.948 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)cs1 1595728212 UJCVYGWOCPCUAJ-OLZOCXBDSA-N 276.405 3.566 30 20 CHED C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(CC)C(C)C 1593886986 VHZMKGNYLFZKIA-UHFFFAOYSA-N 298.862 3.854 30 20 CHED C[C@@H](NC(=O)N1CCC(CC#N)CC1)C1CCCCCC1 1679976466 RMNRILXMSRMVPB-CQSZACIVSA-N 291.439 3.681 30 20 CHED CC(=NN[C@H](C)C1CCCCC1)c1csc(C(=O)O)c1 1776040566 YHVRANNISMWXHU-SNVBAGLBSA-N 294.420 3.729 30 20 CHED C=C(Cl)C[C@@H](NCc1ccc(C)c(C2CC2)c1)C(=O)O 1776142833 WNUAPBUPURDSGQ-OAHLLOKOSA-N 293.794 3.558 30 20 CHED N#Cc1ccccc1CSc1ccc(C(=O)O)cc1 19275682 MVNMUPJRUDUOIZ-UHFFFAOYSA-N 269.325 3.549 30 20 CHED CC1(C)CCC[C@H]1NCc1ccc(C#N)cc1Cl 162766386 OHJLQMPOTUHFEJ-CQSZACIVSA-N 262.784 3.880 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)O[C@H](C#N)C(C)C 166076960 DHEJJNQFVIFQQT-BMGYJQCNSA-N 277.751 3.835 30 20 CHED C=CCC(CC=C)C(=O)N1CCS[C@H]2CCCC[C@H]21 151798274 AHPKFZMYKFWGQG-CABCVRRESA-N 279.449 3.641 30 20 CHED CCN(C(=O)C[C@H](C)C(C)C)c1ccc(C#N)cc1 152169196 YLDFKCRFCSZHKH-ZDUSSCGKSA-N 258.365 3.593 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)cc1 155182438 DHHGVHXNBPWIGU-KRWDZBQOSA-N 293.370 3.562 30 20 CHED C=CCN(C)Cc1cc(OC)c(OC)cc1-c1ccccc1 154776245 RDOSEAQTNWIKMS-UHFFFAOYSA-N 297.398 3.989 30 20 CHED C[C@@H]1[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CCC[C@H]1C 252219257 YOVWRJPLBSQWPO-MDZLAQPJSA-N 273.336 3.703 30 20 CHED C=CCC[C@H](C)Nc1ccc(N2CCCCC2)nc1 130656289 JJPKCLRFNNJKDW-AWEZNQCLSA-N 259.397 3.839 30 20 CHED Cc1ccc([C@@H](O)COc2ccc(C#N)cc2Cl)cc1 153687746 ROOVRGXACIWDGG-HNNXBMFYSA-N 287.746 3.633 30 20 CHED N#C[C@H](NC(=O)c1cccc(Cl)c1)C1CCCCC1 40360029 SPEQYTUPFBTXHC-AWEZNQCLSA-N 276.767 3.542 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)Cc1cc(C#N)ccc1F 55386708 SDZLAQDAAGDSGS-WBMJQRKESA-N 260.356 3.708 30 20 CHED COc1cc(F)cc(CNc2cc(Cl)ccc2C#N)c1 301936461 QAXDXDJDTGOLEV-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1nc2ccccc2n1C 312584940 VTXCSFDNNRDUKF-ZDUSSCGKSA-N 271.408 3.826 30 20 CHED N#CCN(Cc1cccc2cccnc12)C1CCCC1 78003466 KFXUTCGNMAVREU-UHFFFAOYSA-N 265.360 3.503 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)C1CCCC1 610520812 BUIJFVBGMDLIBJ-GFCCVEGCSA-N 256.349 3.632 30 20 CHED C=CCCCCN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 649528078 JCWRRYHOXMKTSQ-BBWFWOEESA-N 265.441 3.748 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)Cn1ccnc1C 657868641 CHUQWCRAEKVZGW-OIISXLGYSA-N 275.440 3.552 30 20 CHED C=CCOc1ccccc1CNC1CC(C(F)(F)F)C1 576188902 QVPSIAJUENAUNL-UHFFFAOYSA-N 285.309 3.682 30 20 CHED N#Cc1ccc(NC(=O)Cc2cccc(Cl)c2F)cc1 361281111 NOIALWUOOJXFIZ-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CCCCCCCN[C@@H]1CCO[C@H](C(F)(F)F)C1 705927230 NCXLHQVOLWUJJF-NEPJUHHUSA-N 267.335 3.656 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CCO[C@@H](C(C)(C)C)C1 721827834 PKTPBZLDJQSMOW-GDBMZVCRSA-N 272.392 3.872 30 20 CHED N#Cc1ccc(OC[C@@H]2CCCCC2(F)F)cc1F 381508752 KKEXRHNNAXZZLB-NSHDSACASA-N 269.266 3.902 30 20 CHED N#Cc1cccc(OC[C@@H]2CCCCC2(F)F)c1 382061661 GKYHZDZRKKLOGO-LBPRGKRZSA-N 251.276 3.763 30 20 CHED CN(Cc1ccc(CC#N)cc1)c1ccc(F)cc1 398988252 JKGDTWMBRCIKCT-UHFFFAOYSA-N 254.308 3.528 30 20 CHED CCN(CCC#N)C(=O)Cc1ccc(-c2ccccc2)cc1 103209188 SARWEXGUQDNTQH-UHFFFAOYSA-N 292.382 3.658 30 20 CHED C#CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 8570400 TZDNLDOXKWOMLU-UHFFFAOYSA-N 285.730 3.604 30 20 CHED CCN(C(=O)CCc1ccsc1)c1ccc(C#N)cc1 174074896 ATAKOBSVYAWCGD-UHFFFAOYSA-N 284.384 3.605 30 20 CHED C=CCCC(=O)Nc1ncccc1OCC1CCCCC1 110342372 PMKHRJJMQKMABM-UHFFFAOYSA-N 288.391 3.945 30 20 CHED COc1cc(/C=C/C(=O)c2occc2C)cc(Cl)c1O 119006221 WAXHJDBKUIHZPL-ONEGZZNKSA-N 292.718 3.852 30 20 CHED C=CCN1CCC(N[C@H]2C[C@H](C)c3c(C)cccc32)CC1 179421069 YYEOFEBGHZMNAN-YJBOKZPZSA-N 284.447 3.783 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1oc(C)cc1C 176084375 NUNUNXBJGLGWLH-UHFFFAOYSA-N 299.370 3.733 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Oc2ccc(Cl)cc2)c1 302221159 SDAIERMOGLXQNB-UHFFFAOYSA-N 274.663 3.912 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccc(C(C)(C)C)cc1 302814365 RTVINDBOBOEZBV-UHFFFAOYSA-N 288.435 3.821 30 20 CHED N#Cc1ccc(OCCN(C2CCCCC2)C2CC2)cc1 61163691 ZSSZXELSYGKDOZ-UHFFFAOYSA-N 284.403 3.734 30 20 CHED Cc1ccc(C)c(C(=O)Nc2cccc(C#N)c2C)c1 178642745 AWYPHBDHDOHXKN-UHFFFAOYSA-N 264.328 3.736 30 20 CHED Cc1cc(C)c(CNCc2ccc(OCC#N)cc2)cc1C 171769786 MEFBLHDRNPADRQ-UHFFFAOYSA-N 294.398 3.804 30 20 CHED N#Cc1ccc(N[C@@H]2CCCc3c(O)cccc32)c(F)c1 302738330 XTVDLRSGCSAOMW-OAHLLOKOSA-N 282.318 3.892 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C1(C#N)CCCCC1 115139143 MBNDGDDXLXMPRV-DOTOQJQBSA-N 296.414 3.865 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)C[C@H](c2ccsc2)O1 120906091 ILQBZKXXBONNSL-UKRRQHHQSA-N 292.448 3.840 30 20 CHED CCC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)C(C)C 121625720 OZNRRGQLMQNTKZ-CQSZACIVSA-N 266.429 3.847 30 20 CHED CC(C)CCCNC1CCN(Cc2ccc(C#N)cc2)CC1 181435352 LPJIZCBSRNLGDM-UHFFFAOYSA-N 299.462 3.548 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 128834648 DAHNJTYGYPTJRL-JKSUJKDBSA-N 286.419 3.990 30 20 CHED CC#CCCCC(=O)Nc1cccc(Cl)c1N(C)C 185329264 DNNYDEQJOHWNHW-UHFFFAOYSA-N 278.783 3.538 30 20 CHED CC#CCCCC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 189594006 YJUQCOWNBQMVEA-ROUUACIJSA-N 283.415 3.708 30 20 CHED CCC[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1C#N 186431646 ZQPIBKSNPCBFMY-AWEZNQCLSA-N 289.354 3.884 30 20 CHED CCc1nocc1CN(CC)[C@@H](C)c1ccc(C#N)cc1 507331315 FPMAYXAUNWJBRE-ZDUSSCGKSA-N 283.375 3.692 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)cc1OCC 188316336 ROQLNOYCXJEWLX-QGZVFWFLSA-N 291.391 3.561 30 20 CHED C=C(CC)CSCCC(=O)N1CCc2ccccc21 507132774 OUCXJMFUYSLGDV-UHFFFAOYSA-N 275.417 3.665 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1c(F)cccc1F 182578946 AIAOQFCVLYMTDR-NSHDSACASA-N 288.297 3.868 30 20 CHED CCCCCCCC(=O)NC[C@H](C)c1nccs1 183539138 LQDALNZFLHQFHH-LBPRGKRZSA-N 268.426 3.723 30 20 CHED C=CCN(Cc1cc(Br)ccc1F)C1CC1 521187501 NTWXBCQTVSOWQI-UHFFFAOYSA-N 284.172 3.739 30 20 CHED C[C@H]1C[C@@H](C)Cc2sc(NC(=O)C3CC3)c(C#N)c21 411014991 PYEWJXPQVZYRPD-BDAKNGLRSA-N 274.389 3.654 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(C(C)=O)c1 120961629 VDHRRCOGAJMUSS-UHFFFAOYSA-N 257.333 3.596 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C\c1cccs1)C2 213680486 JDCHCGAKJDHSQL-XFFZJAGNSA-N 286.352 3.588 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(OCC(C)C)c1 125366443 KOUMCDMCXGUXBA-AWEZNQCLSA-N 291.391 3.641 30 20 CHED C[C@@H]1CCC[C@](CN[C@H](C)c2ccc(C#N)cc2)(N(C)C)C1 314981814 XUGQGYNOMLXLSI-MDZRGWNJSA-N 299.462 3.719 30 20 CHED C=CCC[C@H](NC(=O)NCC1(C#N)CCC1)c1ccccc1 419470233 AKQFKJNMNPRPON-INIZCTEOSA-N 297.402 3.687 30 20 CHED N#Cc1cccc(Cl)c1NCCCNc1ccccn1 180409780 LUQZEPUGBXOWTN-UHFFFAOYSA-N 286.766 3.521 30 20 CHED CCc1ccccc1C(=O)Nc1ccccc1O[C@@H](C)C#N 182073848 CEGJPXITEDTYFS-ZDUSSCGKSA-N 294.354 3.792 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCCCSC 412844372 UCBVRQPBDCADAJ-MRXNPFEDSA-N 291.460 3.823 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 128486882 KQEPJHYYYKYGBL-CJNGLKHVSA-N 288.391 3.506 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCc1ccccc1 189772682 TYHUTZISNMDNDS-WMLDXEAASA-N 259.393 3.726 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 188474593 LABMIIFHYZJJTK-RDTXWAMCSA-N 297.402 3.652 30 20 CHED CN(Cc1nccs1)c1ccc(C#N)cc1C(F)(F)F 74778553 SWGFZFRJOHZMQS-UHFFFAOYSA-N 297.305 3.670 30 20 CHED CCCC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412363934 KBRROLSXDLCUIA-RRQGHBQHSA-N 284.403 3.699 30 20 CHED CCS[C@@H]1CCCC[C@@H]1Nc1ncc(C#N)cc1F 413174448 IIOCERABXNMEDM-QWHCGFSZSA-N 279.384 3.569 30 20 CHED C=CCn1c(C)nnc1SCCCc1cccc(C)c1 182222477 YYJVDFQKVPIDEX-UHFFFAOYSA-N 287.432 3.806 30 20 CHED Cc1ccc([C@H]2CCN([C@@H](C)CCC#N)C2)c(C)c1 411660352 SBEAPQQMJHFCQQ-HOTGVXAUSA-N 256.393 3.785 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C)cc1SC 415884330 PPPHVVXBIMUSKE-CQSZACIVSA-N 262.378 3.595 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCC1CCC1 416091446 AEEJWOGMXMGRAD-KRWDZBQOSA-N 282.387 3.632 30 20 CHED Cc1ccc(CCNc2cc(Cl)ccc2C#N)o1 609891827 YQROARXHNWVNOZ-UHFFFAOYSA-N 260.724 3.768 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)NCc1cccc(C#N)c1 46039584 GAOBMPVXYXPITL-GFCCVEGCSA-N 299.399 3.522 30 20 CHED Cc1cccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1C 182061076 VQFDHVZZQGQGMQ-ZDUSSCGKSA-N 294.354 3.847 30 20 CHED Cc1ccc(C)c(NC(=O)COc2ccc(C#N)cc2C)c1 130593996 PDMZKTCLXXXQKG-UHFFFAOYSA-N 294.354 3.501 30 20 CHED N#CC1(CCN2C[C@@H](O)C[C@@H]2c2ccccc2)CCCCC1 411925843 OEWABVCOVKCASS-ZWKOTPCHSA-N 298.430 3.658 30 20 CHED C=C(C)CN(CC)C(=O)CS[C@H](C)c1cccs1 133923850 SHHODTMLAGWCOM-GFCCVEGCSA-N 283.462 3.967 30 20 CHED Cc1sc(N=C(O)[C@@H]2CCC(=O)C[C@@H]2C)c(C#N)c1C 329261618 FWEQVUGZDYSTTL-QPUJVOFHSA-N 290.388 3.830 30 20 CHED CCc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 41519860 VSUHUVQKORPTBP-CYBMUJFWSA-N 270.357 3.504 30 20 CHED CC(C)(C)c1ncsc1C(=O)Oc1ccc(C#N)cc1 80838554 CTBWLEBAUYXMKM-UHFFFAOYSA-N 286.356 3.531 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)[C@@H](C)C#N)CCCC2)cc1 410886069 YRDLJYISPVQYNX-HNNXBMFYSA-N 298.430 3.992 30 20 CHED O/C(=N/C1CCCCC1)Nc1scnc1C1CC1 328902156 GGXJTRFDVXZNJD-UHFFFAOYSA-N 265.382 3.679 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)CC(C)(C)C#N)CC1 505128962 MKUGWFGJYFQTPF-ZIAGYGMSSA-N 264.413 3.647 30 20 CHED CC1(C)CCC[C@@H]1C/N=C(/O)[C@@H]1CCC(=O)c2cccn21 329338659 QREXVTQMBJSVLG-OCCSQVGLSA-N 288.391 3.789 30 20 CHED C=CCSCCNC(=O)C[C@H]1CCCCC1(C)C 503264214 YBIQLOGOYNMNKY-CYBMUJFWSA-N 269.454 3.628 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC)c1cccc(Cl)c1 341876415 JOFGBMMZGQGXAI-WFASDCNBSA-N 267.800 3.565 30 20 CHED C=C[C@@](C)(CC)C(=O)NC1CCN(C2CCCCC2)CC1 135093998 LWDCJVZNHUBWTD-SFHVURJKSA-N 292.467 3.502 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(OCC2CCCC2)CC1 135104734 OUOUQAXYAVJNRO-SFHVURJKSA-N 293.451 3.787 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccsc1 48944867 QEWUMIFAPLLQIE-UHFFFAOYSA-N 286.356 3.659 30 20 CHED Cc1c(NC(=O)N(C)[C@@H](C)CC#N)cccc1C(F)(F)F 135222183 DAXZTAVYTUDZIK-VIFPVBQESA-N 299.296 3.780 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccco3)C2)c(Cl)c1 615224798 GCJMNHXLTGUIMY-CQSZACIVSA-N 286.762 3.794 30 20 CHED N#Cc1ccc(NC(C2CCC2)C2CCC2)cc1[N+](=O)[O-] 324742788 ODGOQGWZBPJOCD-UHFFFAOYSA-N 285.347 3.847 30 20 CHED CCCN(c1ccc(C#N)c(Br)c1)C1CC1 228177647 JCERSHYLSLIJCY-UHFFFAOYSA-N 279.181 3.700 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2CCC(C)(C)CC2)n1 131921803 AUACPZXHFDLMPC-GFCCVEGCSA-N 276.405 3.844 30 20 CHED C=CC[C@@H](CO)CN[C@H]1CCSc2cc(C)c(C)cc21 427523915 WMDBGAJQKPVUCH-ZBFHGGJFSA-N 291.460 3.615 30 20 CHED CCc1noc(C)c1N=C(O)c1coc(C2CCCC2)n1 328841808 ZSSINJLOIAPYSY-UHFFFAOYSA-N 289.335 3.827 30 20 CHED C=CCSCCNC(=O)Nc1cccc(Cl)c1F 194598036 QXOARKBFQYPVFE-UHFFFAOYSA-N 288.775 3.520 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCc2ccccc21 424571164 UHEAPHJXPPEOBW-HNNXBMFYSA-N 271.404 3.825 30 20 CHED CC[C@@H]1CCCCN1C(O)=Nc1nccn1-c1ccccc1 328743465 NKJZZWWIGUUHBK-CQSZACIVSA-N 298.390 3.682 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 425275214 SZURCOGGULAOSO-IONNQARKSA-N 289.688 3.858 30 20 CHED C=CC[C@@H]1N(C(=O)[C@]23CCC[C@@H]2C3)CCCC1(C)C 421540556 AGLWOALAZGBBRY-KEYYUXOJSA-N 261.409 3.770 30 20 CHED CC(C)OCc1cccc(Nc2ccc(C#N)cn2)c1 49099774 WYZGTDRPYDVUBQ-UHFFFAOYSA-N 267.332 3.622 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](CC)Cc1ccccc1 424636066 HDUOMIIQXJYMQC-OAHLLOKOSA-N 259.393 3.726 30 20 CHED CC(C)c1ccc(N/C(O)=N/C[C@]2(C)CCOC2)cc1 330758264 JFOVZAUODZSGRY-INIZCTEOSA-N 276.380 3.563 30 20 CHED C[C@@H]1CC(C/N=C(/O)NC(C)(C)CC(C)(C)C)C[C@@H](C)O1 330994318 WHJTZSUFUZSBFB-CHWSQXEVSA-N 298.471 3.908 30 20 CHED C=CCC1(CN[C@@H](Cc2ccccc2)[C@H](C)N)CCCC1 423162564 PWPSHCLPCAYQJD-WMZOPIPTSA-N 286.463 3.671 30 20 CHED C/C(=C/c1ccc(F)c(C#N)c1Cl)c1cnccn1 336432198 YXFDJVNNZYZQCD-TWGQIWQCSA-N 273.698 3.701 30 20 CHED C=CCC1(C(=O)N2CCCc3cc(F)c(F)cc32)CCC1 191868304 KSQKEHKVWNLHCK-UHFFFAOYSA-N 291.341 3.990 30 20 CHED C=CCCOCCN[C@H](C)c1csc(Cl)c1 191396356 MZAQKUSATRMGEQ-SNVBAGLBSA-N 259.802 3.645 30 20 CHED C=C(CNC(=O)N1CC[C@@H](C)[C@H]1CC)c1ccccc1 512672668 LTPOXJNTQVWNRR-CZUORRHYSA-N 272.392 3.530 30 20 CHED N#CC1(N(C(=O)c2ccc(Cl)cc2F)C2CC2)CCC1 335384195 AUVFGSQYMWSXAG-UHFFFAOYSA-N 292.741 3.530 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)c1c(F)cccc1Cl 191276613 PGJREHMCOFWLHZ-SNVBAGLBSA-N 291.757 3.540 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1sccc1Cl 336334876 DPOATMAPPJJFGI-UHFFFAOYSA-N 291.763 3.567 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CCSCC 425522015 ZYANUHRSSKBTQW-GFCCVEGCSA-N 257.443 3.579 30 20 CHED Cc1nnsc1C(O)=Nc1nc(CC(C)(C)C)cs1 330988176 QSXMQEREFZULLV-UHFFFAOYSA-N 296.421 3.528 30 20 CHED CCc1[nH]c2ccccc2c(=NCC2(CC#N)CC2)c1C 519454132 PXWUDOHKXOSZPS-UHFFFAOYSA-N 279.387 3.633 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CC[C@H](C)C1 429615674 DFNFTKUIWHYGDX-SMDDNHRTSA-N 271.364 3.519 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425637825 MBZHFMMLUHANCP-SUMWQHHRSA-N 270.376 3.680 30 20 CHED C=CCCCCNC(=O)c1c[nH]cc1-c1ccccc1F 427200103 XTAFTZXPUJLREH-UHFFFAOYSA-N 286.350 3.907 30 20 CHED Cc1ccc(F)c(C(=O)Nc2cccc(C#N)c2C)c1F 335939502 LMBOKXHJWITTBO-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(F)cc2C#N)C12CCCC2 97635740 ASZYPCLVLIDUJG-CVEARBPZSA-N 288.366 3.847 30 20 CHED Fc1ccc(C#CCN2CCS[C@@H]3CCCC[C@H]32)cc1 438544934 HACPIGZCNQKYCB-IAGOWNOFSA-N 289.419 3.537 30 20 CHED C[C@H]1c2ccccc2CCN1c1snc(Cl)c1C#N 92665485 FBEULVRROCPRNZ-VIFPVBQESA-N 289.791 3.792 30 20 CHED CCC(=O)Nc1ccc(C)c(NCCC(C)(C)C#N)c1 345413178 PDDBEVQSVKZNLN-UHFFFAOYSA-N 273.380 3.695 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCC[C@H]1CCC(C)C 436193044 VZXIVBFLXMWBRV-AWEZNQCLSA-N 288.391 3.891 30 20 CHED CSc1ccccc1CC(=O)Nc1cc(C#N)ccc1C 346637709 FFQNAMMHNBIXEM-UHFFFAOYSA-N 296.395 3.770 30 20 CHED C=CCC[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 435302301 LWTWYCKDOHYRMU-GOSISDBHSA-N 290.366 3.996 30 20 CHED Cc1ccc(F)c(NC(=O)NCC(C)(C)CCC#N)c1 348050048 BTYNYCZYABIDKP-UHFFFAOYSA-N 277.343 3.586 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@H](C)c2cccnc2)cc1 248621961 NDZDJQKJLUGSSY-LSDHHAIUSA-N 295.386 3.565 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC=C(c2ccccc2)C1 529314048 QLFSAINPQHEJOJ-UHFFFAOYSA-N 282.387 3.632 30 20 CHED N#CC1(CN[C@@H](CC(F)(F)F)c2ccccc2)CC1 343585284 WVSZFKIRUJRNSV-LBPRGKRZSA-N 268.282 3.573 30 20 CHED CCCCOC1CCN(Cc2ccc(CC#N)cc2)CC1 343617848 UGZYYRSTJBWLPG-UHFFFAOYSA-N 286.419 3.534 30 20 CHED C=CCN(CC=C)C(=O)COc1cc(C)c(Cl)c(C)c1 244279426 WTEXVPZLEQVTTB-UHFFFAOYSA-N 293.794 3.536 30 20 CHED CC#CCN[C@@H](CCOC)c1ccc(Cl)c(Cl)c1 342024661 SGLVKRJCNFSCRD-AWEZNQCLSA-N 286.202 3.684 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C1CCC=CCC1 602162795 GADGKDOCUQMZQL-GOSISDBHSA-N 294.398 3.798 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)C(F)F)cc1 433038394 GMPXDGCUPNJBEQ-HNNXBMFYSA-N 272.298 3.654 30 20 CHED CCC[C@@H](Nc1ncc(C#N)cc1Cl)c1ccccn1 609632265 GCFVOGBKKTXMNA-CQSZACIVSA-N 286.766 3.955 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccn1 341846771 LWMSYGLFZRMMRJ-GFCCVEGCSA-N 297.383 3.586 30 20 CHED C[C@H]1CCC[C@@H](C)N1Cc1ccc(C#N)cc1OC(F)F 437142947 CMZNFJAKALOWRM-TXEJJXNPSA-N 294.345 3.923 30 20 CHED C=CCCCCCN(C)C(=O)NCCc1ccc(C)o1 606919763 YXVGOPZHMDHKPX-UHFFFAOYSA-N 278.396 3.518 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCCCCC(F)(F)F 255320748 YQAPIBALKJKAPK-FPLPWBNLSA-N 297.276 3.847 30 20 CHED COc1ccc2c(c1)CCCN(Cc1ccccc1C#N)C2 609134017 ZYZGBWVVZSNXAW-UHFFFAOYSA-N 292.382 3.515 30 20 CHED N#CCn1c(C(=O)Nc2cccc(F)c2)cc2ccccc21 609159587 OSIZODFHGISTLW-UHFFFAOYSA-N 293.301 3.556 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCOc2c(Cl)cccc21 602530722 RZARAGXHWRHRHJ-FZMZJTMJSA-N 278.783 3.693 30 20 CHED C[C@@H](CCC#N)CNCCc1c[nH]c2cc(Cl)ccc12 602530222 FTHLTJKPXNFSGK-LBPRGKRZSA-N 289.810 3.893 30 20 CHED C[C@@H](CCC#N)CNCc1sccc1Br 602544311 OUKTUPQXXMSHGW-VIFPVBQESA-N 287.226 3.540 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 448819447 VTKXIUYWYKEEKD-FGTMMUONSA-N 294.398 3.509 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 359371814 FEYVKVYPTIBTRD-OWCLPIDISA-N 274.408 3.521 30 20 CHED Cc1cccnc1C(C)(C)CNC1CCC(C)(C#N)CC1 449332970 FKSFAGUWTFBDBR-UHFFFAOYSA-N 285.435 3.730 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C2CC2)cn1 445512493 MXBGJMGOOGHOID-UHFFFAOYSA-N 292.382 3.787 30 20 CHED COCc1cccc(/C=C2/CCc3cc(O)ccc3C2=O)c1 255028023 FKCBYBJTZCCCPO-YBEGLDIGSA-N 294.350 3.751 30 20 CHED COc1ccc(O)c(C=Nc2cccc3ncccc23)c1 255641013 VCKIJHWPBSCNDF-UHFFFAOYSA-N 278.311 3.700 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)[C@@H](C)c1ccccc1 449548637 PDHSCRCBZDSBAU-WTTBNOFXSA-N 259.393 3.502 30 20 CHED CC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)(C)C 537420514 RJOJKFGJEUMXHO-OAHLLOKOSA-N 284.403 3.796 30 20 CHED N#C[C@@H]1CC[C@H](n2cc(C3CCCCCC3)nn2)C1 600973359 MWSOIULPMPNLAB-OCCSQVGLSA-N 258.369 3.581 30 20 CHED C=C(CNCc1ccc(C#N)c(C)c1)c1ccccc1 443965145 MCRGCTRAAAPQDW-UHFFFAOYSA-N 262.356 3.670 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccc(C)cc2)CC1 353533230 IMSBIGVGLGQUCW-UHFFFAOYSA-N 257.377 3.700 30 20 CHED N#CC1(NC(=O)CCCc2ccc3ccccc3c2)CCC1 537196832 SODFUPJRRMLDIC-UHFFFAOYSA-N 292.382 3.725 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1ccc(OCC#N)cc1 264541822 HRZOTPIJOBGDEA-OAHLLOKOSA-N 292.382 3.708 30 20 CHED COc1cc(CCNC2CCC(C)(C#N)CC2)ccc1C 449162590 JPQQJNXOLKXQBE-UHFFFAOYSA-N 286.419 3.608 30 20 CHED Cc1cccnc1C(C)(C)CNc1c(C#N)cccc1C#N 357804238 LJMWXDWJKBPYCE-UHFFFAOYSA-N 290.370 3.523 30 20 CHED N#CCN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444729976 GPAXMBSTWCLPAD-JTQLQIEISA-N 296.214 3.812 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCC(C)C 355252754 DTZQOVADYZHLNW-UHFFFAOYSA-N 252.402 3.601 30 20 CHED C=CCCC1(C(=O)Nc2ccc3oc(N(C)C)nc3c2)CC1 356478944 MQXZTNNRXZZESM-UHFFFAOYSA-N 299.374 3.579 30 20 CHED C[C@H](C#N)CN(C)c1cnc2cc(Cl)c(Cl)cc2n1 611745729 ONPVICALGSXWAX-MRVPVSSYSA-N 295.173 3.532 30 20 CHED N#C[C@@H]1N(CCC2CCCCC2)CCC[C@]12CCCCO2 447916411 VFIFRJZUHQRUED-ZWKOTPCHSA-N 290.451 3.884 30 20 CHED N#CC1(CCCN(C2CCCCC2)C2CC2)CCOCC1 619620089 JGDGHBURFLPJCF-UHFFFAOYSA-N 290.451 3.884 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](SCC)C(C)C 610051430 RQVHDQHGEZDLLH-AWEZNQCLSA-N 271.470 3.969 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 350113741 IRYFIOXDUUQHPW-CYBMUJFWSA-N 293.798 3.640 30 20 CHED CC[C@H](C)n1ncc(Nc2ncccc2C#N)c1C1CC1 536502248 LGOIDKGYFCVKAD-NSHDSACASA-N 281.363 3.742 30 20 CHED Cc1occc1CN(C)C(=O)C[C@H](CC#N)c1ccccc1 355038813 NQOZXZOIZIZCAP-INIZCTEOSA-N 296.370 3.634 30 20 CHED N#CC1(CCCSCC2CCC2)CCOCC1 356936813 MZTJGBHKSFYLHW-UHFFFAOYSA-N 253.411 3.620 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C(C)C)oc2c(Cl)cccc12 264608574 HFEVITZTVPIAGS-LBPRGKRZSA-N 290.750 3.673 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)cc(F)c2)C1 617783283 XHDXLKXLWGUCRY-CYBMUJFWSA-N 261.340 3.562 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(Cl)c(C#N)n1 610280391 ODVRTBGPVWFOBN-ZBFHGGJFSA-N 283.762 3.749 30 20 CHED C=CC[C@H](C)NC(=O)c1cccn1[C@@H](C)Cc1ccccc1 539118907 JXRLBDTTYMCSEO-HOTGVXAUSA-N 296.414 3.986 30 20 CHED C=CC[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 360649850 WMKWSGRHWBUDCS-SUMWQHHRSA-N 254.377 3.880 30 20 CHED CCC[C@H](NCc1cc(C#N)cs1)c1ccccn1 610488683 IUKHBBQNEYVWQG-AWEZNQCLSA-N 271.389 3.646 30 20 CHED CC(C)[C@@H](C(=O)N(C)C[C@@H](C)C#N)c1cccc(Cl)c1 267181024 HMIFRIIBQLTJIV-SWLSCSKDSA-N 292.810 3.698 30 20 CHED C=CC[C@@H](CO)CNC1CCC(C)(c2ccccc2)CC1 539298176 PMOBWMASIGREGH-IPJUCJBFSA-N 287.447 3.661 30 20 CHED N#Cc1cccc(CN(Cc2ccc(O)cc2)CC2CC2)c1 265459120 WQWSRFWSXDDOGI-UHFFFAOYSA-N 292.382 3.676 30 20 CHED CC(C)(C#N)CCN1CCC[C@H](Cc2ccccc2)C1 539588260 KDLHZNJGLMSYPR-QGZVFWFLSA-N 270.420 3.881 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@H](c2ccccc2)C1 455382529 JNILLHWCRWFWNU-INIZCTEOSA-N 286.419 3.788 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cccc(-c2ccoc2)c1 611181340 HNRJOEWRPYTWKM-MRXNPFEDSA-N 282.343 3.615 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1[C@@H]2CCCCCC[C@@H]12 614133736 PVHWRQNQFMPJTD-RBSFLKMASA-N 261.409 3.770 30 20 CHED CC(C)CCNC(=O)c1c(Cl)cc(C#N)cc1Cl 611093257 QYUXJQWUJHRELE-UHFFFAOYSA-N 285.174 3.641 30 20 CHED C#CC[C@H](N[C@H](C)c1cscn1)c1ccccc1 271549190 RWIYIPVWEYDNSL-OCCSQVGLSA-N 256.374 3.558 30 20 CHED N#Cc1ccccc1S[C@@H](C#N)Cc1ccccc1 610339916 KTUKJAZDMFKYMD-OAHLLOKOSA-N 264.353 3.785 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H]1C=CCCC1 274996801 CHELAYPDDCGBIS-HNNXBMFYSA-N 273.376 3.583 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1nccs1 619755225 CXFBAIGFTZYCQT-SECBINFHSA-N 277.780 3.519 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(C)oc(C)c2C)C1 617788432 ITORZNCNMKGLDQ-CQSZACIVSA-N 261.365 3.633 30 20 CHED N#Cc1cc(NCc2ccon2)ccc1Oc1ccccc1 614479567 XZRCDABQLFGYLF-UHFFFAOYSA-N 291.310 3.951 30 20 CHED C=CCN(C(=O)c1ccc2sccc2c1)C1CC1 271547441 QEFDUXAFMLVEBE-UHFFFAOYSA-N 257.358 3.692 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)CSc1ccc(F)cc1 452717517 LLDYNMNKBJJGAB-LBPRGKRZSA-N 281.396 3.636 30 20 CHED CC(C)(C#N)CCN1Cc2ccccc2C(F)(F)C1 611462862 GRPSBASIQOIVFP-UHFFFAOYSA-N 264.319 3.534 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)CC(C)(C)C#N)c1 279387281 YKGAYGOLIWXCOE-HNNXBMFYSA-N 270.376 3.598 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H]1CCc2sc(Cl)cc21 454994024 MJSDHMRLKXSWIA-SNVBAGLBSA-N 298.839 3.900 30 20 CHED CC(C)[C@]1(C)C[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 458577571 PPWCVWPURIBSRS-JZXOWHBKSA-N 299.418 3.765 30 20 CHED C=C(CC)CNC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 455518018 FSDDCEIRLTVKJQ-ZBFHGGJFSA-N 272.392 3.540 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(C#N)cc1 360997619 SYRMTHZODDXAOE-DOMZBBRYSA-N 270.376 3.503 30 20 CHED C=CCCCCNC(=O)c1cc2cc(F)ccc2o1 546017599 FJXUBCGYAZMQKP-UHFFFAOYSA-N 261.296 3.658 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)c1ccccc1C 452772335 DWWZZYRJNDOFFN-AWEZNQCLSA-N 259.393 3.817 30 20 CHED Cc1ccc(CCCN2CCC(CC#N)CC2)cc1 544120381 RADKXVSYKQCMMJ-UHFFFAOYSA-N 256.393 3.553 30 20 CHED CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCCO1 360650601 YWFYTCLRMLXBAB-IPMKNSEASA-N 298.430 3.873 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2ccccc2O[C@H](C)C#N)CS1 277211249 KHRXFMKKVAPGNX-WWGRRREGSA-N 290.432 3.919 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@H]2[C@H](C1)C2(C)C 362803436 ZLNNNRGKCOLUTQ-KBPBESRZSA-N 287.428 3.693 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1CCc2ccc(OC)cc21 620857014 JHGODTINRYCJOJ-OAHLLOKOSA-N 287.403 3.586 30 20 CHED CCCCC[C@H]1CCCN1c1nccc(C)c1C#N 542278570 YVKYNLMUSBNQBM-AWEZNQCLSA-N 257.381 3.811 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc2cc[nH]c12 547538009 LEQDBSWVDRCWNA-UHFFFAOYSA-N 286.375 3.869 30 20 CHED C[C@@H](C#N)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 278309233 RKTBRJHGKDDTCN-ZETCQYMHSA-N 294.223 3.673 30 20 CHED CN(Cc1cccc(OC(F)(F)F)c1)[C@@H]1CC[C@@H](C#N)C1 278623391 NMVKVEGBKOYMQD-DGCLKSJQSA-N 298.308 3.709 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)CC1CCCC1 549694249 YZKFDGSMMWTWLY-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CC[C@@H]1N(C(=O)c2c[nH]c3cccnc23)CCCC1(C)C 621975882 XLKWKTUKDHTBMT-HNNXBMFYSA-N 297.402 3.770 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccc(C)c(C)c1 620863952 JSPJJDRMTKTMMU-UHFFFAOYSA-N 259.393 3.707 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cccc(F)c1F 280968850 ZWXKGOLZUPFKTG-MKBNYLNASA-N 281.346 3.597 30 20 CHED C[C@@H]1C[C@@H](NCC2(C#N)CC2)C[C@H](c2ccccc2)C1 555709782 LMXJJXAVEHIMCD-USXIJHARSA-N 268.404 3.852 30 20 CHED CC(C)(C#N)CCCN(C#N)c1ccccc1Cl 280438051 TVEHKVTWFYRHHD-UHFFFAOYSA-N 261.756 3.957 30 20 CHED Cc1cc(Oc2ccc([N+](=O)[O-])c(C)n2)c(C)c(C)c1C#N 557763401 UNDUVLBUTZPMDE-UHFFFAOYSA-N 297.314 3.887 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnc(C)c(Cl)c1Cl 281098661 PVYOLYDZACHOFI-SECBINFHSA-N 287.190 3.781 30 20 CHED Cc1cc(C#N)ccc1OCc1ccc(C(F)(F)F)cn1 550992867 INKQOKOIOUWMTD-UHFFFAOYSA-N 292.260 3.860 30 20 CHED Cc1ccc(CCC(=O)Nc2ccc(C#N)c(F)c2)c(C)c1 464653314 PALFAGBAVVMRGK-UHFFFAOYSA-N 296.345 3.886 30 20 CHED CC#CCCSCc1nc(-c2ccc(CC)cc2)no1 462353170 CCAGBDPTBRAXQH-UHFFFAOYSA-N 286.400 3.946 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](c1nccn1C)C1CC1 637964637 BSBOVJIMZUHBOQ-QGZVFWFLSA-N 299.393 3.699 30 20 CHED C=C(C)CCc1noc([C@@H]2CCC(=O)[C@@H](C)C2(C)C)n1 289103369 LIAOSFPONRAYOU-NEPJUHHUSA-N 276.380 3.687 30 20 CHED N#Cc1cccc(OCCNc2cc(F)cc(Cl)c2)c1 477520313 BROKTZVNGLKGAL-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C[C@H](Cc1ccsc1)NC1(c2cccc(C#N)c2)CC1 556607464 DGCKDTZTNCABNV-CYBMUJFWSA-N 282.412 3.830 30 20 CHED CC#CCN(C)C(=O)Nc1cc(Cl)c(Cl)cc1F 296625989 BYYUPIKOFQEAIA-UHFFFAOYSA-N 289.137 3.620 30 20 CHED COc1cccc(Cl)c1CN1CCCC(C)(C)[C@@H]1C#N 558738075 MBXVJHJPHZDXND-HNNXBMFYSA-N 292.810 3.863 30 20 CHED CC1(C)CCCc2cc(C#N)c(N[C@H]3CC[C@@H](F)C3)nc21 554684996 MEGMTHFZAGRYRL-KGLIPLIRSA-N 287.382 3.870 30 20 CHED C=CCC1(C(=O)NCC2(c3cccc(OC)c3)CC2)CCC1 291175333 JHXKMVBYLWXIFC-UHFFFAOYSA-N 299.414 3.589 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 295208911 UJTMPGABWZFENM-ZFWWWQNUSA-N 275.367 3.790 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1OCCF 297522236 WFYCEJAGGYVHMF-GFCCVEGCSA-N 280.343 3.511 30 20 CHED CC#CC(=O)Nc1ccccc1Oc1ccc(OCC)cc1 801104322 JAAOOZQAIQCRIP-UHFFFAOYSA-N 295.338 3.839 30 20 CHED C[C@@H](C#N)C(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl 472174414 RROXAJQATLEMRS-VIFPVBQESA-N 299.201 3.590 30 20 CHED CC#CCCCC(=O)NCc1cccc(C(C)C)c1 475974077 IYAMMPYCXGAQKZ-UHFFFAOYSA-N 257.377 3.620 30 20 CHED C=C[C@@](C)(CC)c1nc([C@H]2CCN(C)c3ccccc32)no1 568694638 OBYWOMHUWXEFKJ-KSSFIOAISA-N 297.402 3.895 30 20 CHED C#Cc1ccc(CN[C@@H]2CCCOc3cc(F)ccc32)cc1 809632661 UXDFCKWHPKBKCH-GOSISDBHSA-N 295.357 3.811 30 20 CHED C=C(C)CSCC(=O)NCCc1c(C)cc(C)cc1C 476119178 GQVGKZZZYWUWCZ-UHFFFAOYSA-N 291.460 3.580 30 20 CHED N#CC1(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)CCCC1 295951020 IANPWWRLCLPKHL-IAGOWNOFSA-N 296.414 3.770 30 20 CHED C#CCCOc1ccc(CN(C)[C@H](CC)CSC)cc1 809767982 ZGZZRHQFCPLRIS-MRXNPFEDSA-N 291.460 3.662 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H](c2ccccc2)C1 647072907 BDCIOMOYPUETOA-KRWDZBQOSA-N 294.398 3.694 30 20 CHED Cc1c(Cl)cnc(N2CC3(CCC3)[C@H]2C2CC2)c1C#N 565865078 HWPMRWPUHOWKSN-CQSZACIVSA-N 287.794 3.684 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H](c2ccccc2)C1 562115954 ANEALQSPULHGSY-QGZVFWFLSA-N 269.388 3.586 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CC[C@@](O)(C(F)(F)F)C1 648592693 TVMZMKKAOSGLCN-XQQFMLRXSA-N 279.346 3.557 30 20 CHED C[C@H]1CCCC[C@@H]1Cn1cc(C#N)c(=O)c2ccccc21 569140750 NGOHRYNYQHJSOK-UONOGXRCSA-N 280.371 3.699 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2nc(CC)sc2c1 646515271 ZWTTWUALMKGONV-UHFFFAOYSA-N 289.404 3.899 30 20 CHED Cc1cc(Br)ccc1NN=C1CCOC1(C)C 814836599 UPDJJQPQSPBCLQ-UHFFFAOYSA-N 297.196 3.724 30 20 CHED C=CC[C@@H](C)NCc1nc(C(C)C)n2ccccc12 565080180 DWAUVLYHWGERBA-CYBMUJFWSA-N 257.381 3.512 30 20 CHED CC(Cc1ccc(O)cc1)=NNc1ccc([N+](=O)[O-])cc1C 814931202 NDQDHCBFCHINDM-UHFFFAOYSA-N 299.330 3.639 30 20 CHED C=CC[C@H](NCc1cccc(O)c1Cl)c1ccncc1 815124497 AYWQVEUJFATBHW-AWEZNQCLSA-N 288.778 3.848 30 20 CHED C#CCON=CCCc1ccc(-c2ccccc2)cc1 812233295 VCJBSKAWBAWQTR-UHFFFAOYSA-N 263.340 3.922 30 20 CHED C=CCC1(NC[C@H]2CCCC[C@@H]2C)CCOCC1 657633073 FQMYWQCNPISDHG-LSDHHAIUSA-N 251.414 3.528 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@H](C#N)C1 814922241 ALFKQIGDGXCNHS-JTQLQIEISA-N 291.786 3.735 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1cccc(Cl)c1 814693432 PHWMHNZUQAUJLO-UHFFFAOYSA-N 280.755 3.773 30 20 CHED CN(CCCN1CCC(CCC#N)CC1)c1ccccc1 571638118 KYHSMRKPQZCXTN-UHFFFAOYSA-N 285.435 3.529 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N[C@@]2(C#N)CC2(C)C)cc1 484903765 AAADRLYFOFHOBN-IFXJQAMLSA-N 298.430 3.797 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 816347121 OHWYTUVYUMMQFM-HUUCEWRRSA-N 293.357 3.725 30 20 CHED C[C@@H]1/C(=C/c2cn(C)nc2C(F)F)C(=O)c2ccccc21 812242335 PGFROFMCQKXZAJ-XSHGTHSTSA-N 288.297 3.741 30 20 CHED N#CCCCC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 812486289 IZNFYTVRYTYQFX-UHFFFAOYSA-N 295.386 3.568 30 20 CHED CCN(C(=O)C[C@@H]1C[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 575223381 VTEMUGQSBNMRLS-XEZPLFJOSA-N 270.376 3.514 30 20 CHED C[C@H]1COC[C@@H](c2ccccc2)N1CC#Cc1ccccc1 484063764 GQTLPYIOUSHZEA-PXNSSMCTSA-N 291.394 3.500 30 20 CHED Cc1cc(F)ccc1NN=Cc1cnc(C(C)(C)C)nc1 814885031 JPLGIGPWHPKFBO-UHFFFAOYSA-N 286.354 3.668 30 20 CHED C=C(Br)COC(=O)[C@H](C)c1ccc(CC)cc1 727915981 FYBUMNMXHGRVQK-LLVKDONJSA-N 297.192 3.804 30 20 CHED CCc1nocc1CNc1ccc(OC(C)C)c(C#N)c1 816565100 BLJRGNNCHCUXBR-UHFFFAOYSA-N 285.347 3.508 30 20 CHED N#CC1(CNC(=O)C2=C(c3ccccc3)CCCC2)CCC1 573462626 ISSJMHKCMKWHCA-UHFFFAOYSA-N 294.398 3.824 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNC[C@@H]1CCSC1 811661236 HEZGSAQYQSEJPB-JSGCOSHPSA-N 256.459 3.777 30 20 CHED C=C(C)CN(C)C(=O)NCc1cccc2ccsc12 651183755 OIYMKOKWXSUBCJ-UHFFFAOYSA-N 274.389 3.619 30 20 CHED C=CCCCCCOC(=O)[C@H]1CCCCCC(=O)C1 811382050 VNSDPKDXJMWZEE-AWEZNQCLSA-N 266.381 3.816 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cccc(F)c2)c(Cl)c1 727652200 WHLWMNSBDHRKER-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cc(COC)cs1 658209697 RDUUZEINPHFKET-RYUDHWBXSA-N 253.411 3.585 30 20 CHED Cc1ccc(C=NNCCCOc2ccccc2)cc1C 729147493 FBEBCSYNAHLGGK-UHFFFAOYSA-N 282.387 3.696 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc2c1COC2=O 824408287 HYSOGYUHKZORPW-GFCCVEGCSA-N 259.349 3.904 30 20 CHED C=CCCCNC(=O)Nc1cnn(-c2ccc(C)cc2)c1C 650528967 XIEIDDNOGOGBJW-UHFFFAOYSA-N 298.390 3.577 30 20 CHED C=C(Br)CNCc1ccc(-c2ccccc2)o1 729682965 ZXHPMFHSVPVKKL-UHFFFAOYSA-N 292.176 3.945 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](O)c1ccccc1F 823691906 YQISWSXCBOPGAF-CZUORRHYSA-N 265.372 3.584 30 20 CHED CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 498537762 BXZPTGZEPWSDDL-INIZCTEOSA-N 297.333 3.527 30 20 CHED CC[C@H](Cc1ccccc1)/N=C\c1cccc(OC)c1O 727781068 CHHHBILDBXPWQG-YZYPPFLQSA-N 283.371 3.841 30 20 CHED C=CCCC(C)(C)NCc1ccnc(Cl)c1F 827818543 STQQCTKLTMADNN-UHFFFAOYSA-N 256.752 3.709 30 20 CHED C#CCN(CC)C(=O)N[C@@H](C)c1ccc(SCC)cc1 490614659 BETHPSUGYQHTRP-ZDUSSCGKSA-N 290.432 3.524 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](CC=C)C1 660990827 IDEGRPTUGIGAKQ-LSDHHAIUSA-N 264.413 3.729 30 20 CHED CCCCC/C(C=NNCCCO)=C\c1ccccc1 729932508 CRPFQUHUQKKVLY-WTQQPDPPSA-N 274.408 3.608 30 20 CHED CCCc1ccc(N[C@@H](C(=O)O)c2cccc(C#N)c2)cc1 829567060 XGXNRQNCEPZNMG-QGZVFWFLSA-N 294.354 3.749 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc(O)c(F)c2)c1 728438933 RCEPFKFSRZDOJC-SOFGYWHQSA-N 286.302 3.826 30 20 CHED C#CCCOC(=O)c1cc2c(ccc3ccccc32)[nH]1 727042606 MMDLXHZHVLDRCA-UHFFFAOYSA-N 263.296 3.501 30 20 CHED C=CCC(C)(C)CNC(=O)C1(Cc2ccccc2)CC1 490010861 DEPXDQGBXVVZAL-UHFFFAOYSA-N 271.404 3.728 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCCO[C@H](C)C1 727601838 YYNZDJDFHUAZGY-HZPDHXFCSA-N 298.471 3.803 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)CCCC(C)C 492046509 NDCQTTIKZNOIOD-GJZGRUSLSA-N 266.429 3.951 30 20 CHED C=CC[C@H](C(=O)N(CC)CCC1CC1)c1ccccc1 490259967 ZLQJJEPHVQKMTA-KRWDZBQOSA-N 271.404 3.995 30 20 CHED CSc1cccc(C(=O)N2CCC(CCC#N)CC2)c1 583995861 BAINQOWEKGDHAD-UHFFFAOYSA-N 288.416 3.564 30 20 CHED N#CCCC1CCN(C(=O)c2sccc2C2CC2)CC1 581946075 YDXPWNCESAHMTB-UHFFFAOYSA-N 288.416 3.781 30 20 CHED C=CCN(C/C=C\c1ccncc1)Cc1cccc(C#N)c1 494956498 MTENGMSCFUIJPV-DAXSKMNVSA-N 289.382 3.655 30 20 CHED C=C(Cl)CNC(=O)C[C@@H](C)c1ccc(CC)cc1 737858286 WAPMIYKLHCUAJR-LLVKDONJSA-N 265.784 3.611 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 826790598 BXAMUELTSPTHNH-KSZLIROESA-N 296.414 3.725 30 20 CHED CC(C)COc1ccc(/C=C/C(=O)c2ncco2)cc1 901520048 UVRDPDXTMUQKMA-VMPITWQZSA-N 271.316 3.606 30 20 CHED CC(C)(C)OC(=O)N1CCC[C@H](CCSCCC#N)C1 496797455 HKCQKTLLUPROLY-CYBMUJFWSA-N 298.452 3.670 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1snc(C)c1C#N 584248899 IZLYUQZWJWZKQD-XFXZXTDPSA-N 283.400 3.863 30 20 CHED C=CCCCCCCCNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2 836789378 KQBVWRCMFADACS-BZUAXINKSA-N 279.424 3.587 30 20 CHED C=CCn1c(CC)nnc1N1CCC2(CCCCC2)CC1 669815137 IYTYHQDOPDZVDT-UHFFFAOYSA-N 288.439 3.577 30 20 CHED N#Cc1ccc(/C=C/c2nc(CC3CCCC3)no2)cc1 581026821 YJZVOIOOZRMULD-MDZDMXLPSA-N 279.343 3.844 30 20 CHED C[C@@H](NC(=O)CCCCCC#N)C(C)(C)c1ccccc1 588639102 JDOBLQOEGSSDGF-OAHLLOKOSA-N 286.419 3.943 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccccc2F)cc1 733323343 VHZYUCHIDFVWGR-AWEZNQCLSA-N 283.346 3.689 30 20 CHED C=CCC1(C(=O)OC[C@H]2CCC[C@H](O)C2)CCCCC1 838153123 BRKGCDOFNUHFAJ-GJZGRUSLSA-N 280.408 3.607 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(C3CCC3)cc2)cn1 834420998 MZOAJIAHXDQIFU-YFHOEESVSA-N 266.344 3.584 30 20 CHED C#CCOc1cccc(OC(=O)c2sccc2C2CC2)c1 730695258 GDNLXTXUNAHGGB-UHFFFAOYSA-N 298.363 3.857 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1nc(Br)cs1 834790647 UDNQYXQRQAVYPK-DTWKUNHWSA-N 289.242 3.911 30 20 CHED FC(F)(F)c1ccnc(NN=CCCC2CC2)c1 834987049 ZFOVPMDMOYYQLT-UHFFFAOYSA-N 257.259 3.688 30 20 CHED CCCCCCCCCN1C(=O)CN(C2CCCC2)C1=O 733207813 MPRMEGZZEWEJQH-UHFFFAOYSA-N 294.439 3.944 30 20 CHED Cc1ccc(NC(=O)C#CC(C)(C)C)cc1OC(F)F 837418133 FDQVXTISZGJOPV-UHFFFAOYSA-N 281.302 3.584 30 20 CHED N#C[C@H](c1ccccc1)N1CCC[C@H]([C@H]2CCCCO2)C1 595786868 IBAFEHUUBIIQKG-RCCFBDPRSA-N 284.403 3.532 30 20 CHED CC(C)[C@@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 837323634 QDKRLRMLEWGEJN-MRXNPFEDSA-N 275.779 3.567 30 20 CHED CC(C)c1csc(Sc2ccnc(C#N)c2)n1 912237470 IOHYVAYIKSJPBJ-UHFFFAOYSA-N 261.375 3.684 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1CCCC1 591808811 TVAZDMZBBTUDSH-KBPBESRZSA-N 284.403 3.904 30 20 CHED CCCOc1cccc(CN2CCC[C@@H](CC#N)C2)c1 595623525 SGJXAFNGWXTUSN-HNNXBMFYSA-N 272.392 3.601 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)N1CCC[C@@H](CC#N)C1 595435211 MGYPBYZJWKZLSK-CABCVRRESA-N 279.428 3.536 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)[C@@]1(C#N)CC12CCCC2 837903658 WTMRKIINQZWYSO-LRDDRELGSA-N 261.365 3.582 30 20 CHED C=CCCOCC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 678330464 ZBNOIRDUHXXVCF-UHFFFAOYSA-N 299.414 3.512 30 20 CHED C=C(CNC(=O)N(CC)Cc1ccoc1)c1ccccc1 673195867 ZSRKOORFYMCGRA-UHFFFAOYSA-N 284.359 3.525 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCC1CCCC1 748922657 TXGRRJSLTCIMRY-UHFFFAOYSA-N 271.360 3.880 30 20 CHED C=C(CNC(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1 672667396 BTZVJKPGEGQZRC-BBRMVZONSA-N 272.392 3.578 30 20 CHED CC1(C)Cc2cccc(CN3CCC[C@@H](CC#N)C3)c2O1 595622923 FYIWDGPFJFCKSE-AWEZNQCLSA-N 284.403 3.526 30 20 CHED COc1cccc(/C=N/Cc2cc3ccccc3o2)c1O 915978221 CSJOVECJXPNFKG-VCHYOVAHSA-N 281.311 3.766 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)c2ccco2)n1 747198544 ZBWUQBHMCBBPCC-QWRGUYRKSA-N 288.372 3.839 30 20 CHED Cc1cc(-c2ccc(C#N)s2)cc2c1NC(=O)C2(C)C 592989034 PGHDQSJWZDDWII-UHFFFAOYSA-N 282.368 3.825 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)c1 916153454 QESKJLZSIWGHPQ-ALCCZGGFSA-N 280.323 3.662 30 20 CHED CCCCNN=Cc1ccc(OCCC)c(OCC)c1 915966575 XPLICSGTNNXQFU-UHFFFAOYSA-N 278.396 3.598 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1ccc(N)cc1 747636240 WRQJZJGIXFBCGA-UHFFFAOYSA-N 277.730 3.897 30 20 CHED CC[C@H](C#N)C(=O)Nc1cnn(CCC(C)C)c1C(C)C 593651331 HETKEGPONDCJNB-CYBMUJFWSA-N 290.411 3.541 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N(C1CC1)[C@@H](C)C#N 598136826 KFTVUVHKBLVVHV-KGLIPLIRSA-N 262.397 3.662 30 20 CHED Cc1nc(NCCC[C@@H]2CC2(Cl)Cl)ccc1C#N 845747202 WFWJCELBBYQESJ-LLVKDONJSA-N 284.190 3.648 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 594346291 YCGZZBUQZFYXNC-YJBOKZPZSA-N 298.430 3.631 30 20 CHED O=C(O)c1ccc(/C=C2/Cc3cc(Cl)ccc3C2=O)cc1 742438626 ZZDOFJBDLYDMQF-QPEQYQDCSA-N 298.725 3.861 30 20 CHED CC[C@@H](C)C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 748497902 MCIBEAKEDIFPBE-LLVKDONJSA-N 284.277 3.646 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](CC)c1ccc(Cl)s1 845635413 YGLKPCMRMCWHNW-BDAKNGLRSA-N 288.800 3.658 30 20 CHED CSc1cccc(NC(=O)N2CCC[C@H](CC#N)C2)c1 596626587 LBKPFFUMSCIYGW-GFCCVEGCSA-N 289.404 3.566 30 20 CHED COc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1C#N 742379367 WPEJTTZJBQHWGL-YQQAZPJKSA-N 284.403 3.625 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 590841279 UQIAWKKWXWYDDO-BLLLJJGKSA-N 299.418 3.669 30 20 CHED CCCCCCC(=O)Nc1nc(Cl)c(C#N)s1 841226739 RWBDLCIAGVKNBN-UHFFFAOYSA-N 271.773 3.577 30 20 CHED Cc1cc(C)c(NN=Cc2cnc(C)s2)c(C)c1 743445169 HHGQZSJJDFXYPV-UHFFFAOYSA-N 259.378 3.823 30 20 CHED CCCCCCCCCC(=O)NCc1cnc(Cl)cn1 910037281 RRDVLVBDNRKTJA-UHFFFAOYSA-N 297.830 3.887 30 20 CHED C=C[C@@H](C)ONC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 846545920 KDKBFIXUOFVQOA-HIJJYWJESA-N 299.292 3.731 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1c1nc(C#N)c(Cl)s1 596136536 BKXARHAYEZASPJ-FXPVBKGRSA-N 281.812 3.826 30 20 CHED C=CCCOC(=O)c1cc2cccc(Cl)c2o1 753516560 NTUZGBWRSIDNGG-UHFFFAOYSA-N 250.681 3.819 30 20 CHED C=CCC[C@H](NC(=O)N1CC(C)(C)C1)c1ccccc1 683989271 NFQGWUYWTJZRJN-HNNXBMFYSA-N 272.392 3.745 30 20 CHED N#Cc1c(F)cccc1Sc1ncnc2c1CCCC2 596307485 XYGGNJFCPFCFFD-UHFFFAOYSA-N 285.347 3.517 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2Cl)C1 596631161 VDODDAJKNDBHIM-SNVBAGLBSA-N 295.745 3.637 30 20 CHED CCOc1ccc(/C=C2/Oc3ccccc3C2=O)cc1OC 742436382 KQSRICBRYHDDHI-GZTJUZNOSA-N 296.322 3.710 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 598523042 XFHMVFYWLVBVAO-LBPRGKRZSA-N 290.363 3.559 30 20 CHED C[C@@H]1CC[C@@H](C/N=C/c2cc(Cl)cc(Cl)c2O)O1 840708362 ALMTXJSWAFRNJP-KSWLNJQMSA-N 288.174 3.685 30 20 CHED C=CC(C)(C)CNC(=N)Nc1ccc(OC(C)C)cc1 849035879 QABZWJFIQUREEF-UHFFFAOYSA-N 275.396 3.622 30 20 CHED C[C@H](CC(C)(C)C#N)NC1CCN(CC2CCCC2)CC1 924858272 ZLPADPNSIDROSM-OAHLLOKOSA-N 291.483 3.559 30 20 CHED COC(=O)Cc1ccc(NN=C[C@H]2CCC[C@H](C)C2)cc1 844606327 UKRWUAUUFHPJLV-ZFWWWQNUSA-N 288.391 3.626 30 20 CHED O=C(C#Cc1ccccc1)N(CC1CCCCC1)C1CC1 747363700 ISTXGGLUGWBDEI-UHFFFAOYSA-N 281.399 3.609 30 20 CHED O=C1CCC[C@@H]1CCON=C(c1ccccc1)C(F)(F)F 751966612 ZMISJZGOTWZBNG-LLVKDONJSA-N 299.292 3.729 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccc(N)cc1C 758116552 GNOPPLIUGLWAGE-UHFFFAOYSA-N 287.794 3.744 30 20 CHED C[C@@H]1CC/C(=C/C(=O)N[C@](C)(C#N)CCc2ccccc2)C1 753609724 MNIKTTRNHLLXGA-DOGYVFCYSA-N 296.414 3.764 30 20 CHED Cc1cc(Cl)ccc1OC(=O)c1ccc(CC#N)cc1 758148861 KWVUIASXOOMOIG-UHFFFAOYSA-N 285.730 3.934 30 20 CHED Cc1nnc([C@H](C)/N=C/c2c(O)ccc3ccccc23)s1 758815365 KCUHNDXUZDPDOW-VJCPFXPRSA-N 297.383 3.885 30 20 CHED CCC#C[C@H](C)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 680427805 OYXLJQTUDDHSJE-UONOGXRCSA-N 297.402 3.752 30 20 CHED C=C[C@@H](OC(=O)CCCCCC#N)c1ccccc1 851451019 AQZBBLUBKRZQNK-OAHLLOKOSA-N 257.333 3.931 30 20 CHED C(CCc1ccccc1)=NNc1nc(-c2ccccc2)no1 755683954 WQXJYZVKRGWSBW-UHFFFAOYSA-N 292.342 3.767 30 20 CHED C[C@@H](NCc1ccc2c(c1)CCCO2)c1cccc(C#N)c1 921803219 NVTZYHRUJIRQBC-CQSZACIVSA-N 292.382 3.734 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cnc2ccccc2c1)OCC 756549441 DDCJSYRGYGILLJ-QGZVFWFLSA-N 299.370 3.649 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 928583698 BXHROTFDUYFWQZ-MNOVXSKESA-N 256.349 3.570 30 20 CHED CCCNN=Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 752165689 YGIFATHBZFYWHB-UHFFFAOYSA-N 299.330 3.721 30 20 CHED CC(=NNc1ccc(Cl)cn1)c1cnn(C(C)C)c1C 853437328 KRDIWMSXZQJKAV-UHFFFAOYSA-N 291.786 3.657 30 20 CHED C=CCC1(NC(=O)c2ccnc(C(F)(F)F)c2)CCCC1 855928230 LNLAUMUCPQQSJA-UHFFFAOYSA-N 298.308 3.719 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)CCCc1cccnc1 926564804 GEDQWERWRXJCBO-CABCVRRESA-N 273.424 3.711 30 20 CHED COCc1cccc(/C=C2/CCCC(C)(C)C2=O)c1 757533707 IELMOHFCIARIFR-PTNGSMBKSA-N 258.361 3.996 30 20 CHED COCCCC(C)=NNc1ccc(C#N)c(C(F)(F)F)c1 759196567 LGMGETVUJQJSSZ-UHFFFAOYSA-N 299.296 3.791 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccn(C(F)F)n1 851145649 YJMJIPVUNXDACG-PWSUYJOCSA-N 284.306 3.570 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(F)cc2C#N)C1 759399992 IEEAHDFCZPAWLX-VXGBXAGGSA-N 275.323 3.567 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnn([C@H](C)CC)c1C 935623145 QJGHKYDBFYQTOO-YPMHNXCESA-N 263.385 3.703 30 20 CHED CC[C@@H](C)CCNc1ncc(Br)cc1C#N 696189398 IGEBEAPTBVDXLJ-SECBINFHSA-N 282.185 3.564 30 20 CHED CCCCCCCNC(=O)CC1CCSCC1 862358411 GTTDLKUASHFLDU-UHFFFAOYSA-N 257.443 3.606 30 20 CHED CC(C)(C)/N=C1/NN=C(CCC2CCCC2)CS1 763361445 KHTNXZYJILGUBJ-UHFFFAOYSA-N 267.442 3.804 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(F)cc(F)c2O)ccc1C#N 766489763 GDKVZCFIDHMERP-HYXAFXHYSA-N 299.276 3.747 30 20 CHED Cn1cc(C(=O)/C=C/c2csc(Cl)c2Cl)cn1 761475346 DQDFXBBWNLRBKV-NSCUHMNNSA-N 287.171 3.685 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C[C@H]2CCC[C@@H](C)C2)o1 768364012 DSOJWTSSWADXQI-OLZOCXBDSA-N 288.395 3.969 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(F)c(F)c(F)c1F 871270392 OQPIPVIMSWYSDC-UHFFFAOYSA-N 288.244 3.511 30 20 CHED Fc1cccc(Cl)c1NN=Cc1cccc2nccn12 769831187 WLPVDJYJLCJODD-UHFFFAOYSA-N 288.713 3.573 30 20 CHED CCC(CC)[C@@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 762019539 VXLHXLIMGGIHJL-TZMCWYRMSA-N 297.402 3.822 30 20 CHED CC1CC(C#N)(C(=O)OCC[C@H]2CCC[C@H](C)C2)C1 767425300 QYFYKFRJBVSMRO-PGOFDVKTSA-N 263.381 3.686 30 20 CHED COCCCC(C)=NNc1nc2ccccc2[nH]c1=S 863129852 YDVKPINSKMRKHA-UHFFFAOYSA-N 290.392 3.507 30 20 CHED FC(F)(F)CNN=Cc1cccc(Oc2ccccc2)c1 769821908 JTYOVVFLVSXLBR-UHFFFAOYSA-N 294.276 3.965 30 20 CHED C#CCCN1CC=C(c2cccc3ccccc23)CC1 760822042 SJJVIOYCDWOMPF-UHFFFAOYSA-N 261.368 3.952 30 20 CHED C=CCc1ccccc1OCc1ccc2nonc2c1 864045367 DEHOWDDTJCVQNA-UHFFFAOYSA-N 266.300 3.530 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N(C)c1ccc(C#N)nc1 1118229729 IFQZIVYLRUTAHJ-CYBMUJFWSA-N 285.391 3.523 30 20 CHED COc1cc(F)ccc1NN=C/C=C/c1ccco1 761885605 VPTLLJCPFIGKIT-CNRUJLEGSA-N 260.268 3.538 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1c1cccc(N(C)C)c1 876749115 KEAUFSCSQIBUED-QAPCUYQASA-N 285.435 3.829 30 20 CHED C#CCCCCCC(=O)Nc1cccc(OCCCC#N)c1 779858308 YJTNEHVDQVAHKN-UHFFFAOYSA-N 298.386 3.891 30 20 CHED C=C(Br)CN(CC)[C@@H](C)Cc1ccsc1 778373842 ODABLHOGIMAGBT-NSHDSACASA-N 288.254 3.910 30 20 CHED CCCOc1ccc(C=NOC(C)(C)C)cc1OC 1116404303 FEDCEDSECODBNW-UHFFFAOYSA-N 265.353 3.633 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc2c(c1)OCO2 776767584 DGHFDIGITUKUJB-MRXNPFEDSA-N 292.338 3.776 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)ccc1F 1116376997 CDOMQKPKKRRWGX-WZUFQYTHSA-N 299.345 3.796 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)c(Cl)n1 875578912 NLHGPBNBAUBIBB-UHFFFAOYSA-N 286.162 3.657 30 20 CHED N#Cc1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)ccc1F 770570663 IUYCCXNLXYWOHW-DJWKRKHSSA-N 293.297 3.528 30 20 CHED C#CCCCCC(=O)N1c2ccccc2CC[C@@H]1CC 775613758 PCLATFRTFOAAMK-INIZCTEOSA-N 269.388 3.938 30 20 CHED C[C@H](C#N)COC(=O)c1cc2c(Cl)cccc2s1 770940965 FPAFHEROZQAYHI-MRVPVSSYSA-N 279.748 3.871 30 20 CHED CCOCCON=C(C)c1ccc(SC)cc1Cl 774431886 HIMAZRGWOCKIOV-UHFFFAOYSA-N 287.812 3.839 30 20 CHED O=C(CCC(F)(F)F)Nc1cc(F)c(F)c(F)c1F 871269211 OXQVQYHAGIUSNR-UHFFFAOYSA-N 289.150 3.524 30 20 CHED CC(C)N(C(=O)c1csc(C#N)c1)C1CCCCC1 1117852470 GETQNJJTRISKME-UHFFFAOYSA-N 276.405 3.803 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 878861228 SCBZICHLAMSCII-ZBFHGGJFSA-N 271.404 3.993 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cnn(CC)c2)c1 774126077 DNRLDFOAULSIPT-MDZDMXLPSA-N 268.360 3.752 30 20 CHED O=C(/C=C/c1cc(F)cc(Cl)c1)c1cc(O)ccc1O 776720228 JLEVZRQXLKQVMH-HNQUOIGGSA-N 292.693 3.786 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CC(C)(C)OC)c1cccs1 1123009917 NDOUHGSCNRYHDY-RISCZKNCSA-N 295.404 3.697 30 20 CHED N#Cc1cccc(Br)c1N1CCC=C(Cl)C1 1559227621 XCHMTDARARVYCC-UHFFFAOYSA-N 297.583 3.654 30 20 CHED CCCC(O)(CCC)CC(=O)O[C@@H](C#N)C1CCCCC1 776395738 BIKNYLNVOJZGHQ-HNNXBMFYSA-N 295.423 3.723 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)c(Cl)[nH]1 775926418 WBPSGFOTKYWMTG-MRVPVSSYSA-N 275.179 3.796 30 20 CHED CCCCCCC(=O)Oc1ccc(C#N)cc1OCC 884828319 DNKQXOIDLQJRHE-UHFFFAOYSA-N 275.348 3.833 30 20 CHED C=CCC[C@@H](NC(=O)Nc1conc1C)c1ccccc1 888739699 QWYFURFQBGKFSF-CQSZACIVSA-N 285.347 3.812 30 20 CHED COc1cc(C(C)=NNc2ccc(Cl)c(F)c2)ccn1 782243245 RPLUZEISFRRKDM-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C#CCC1(C(=O)NCc2cc3ccccc3[nH]2)CCCCC1 788186681 GKUYOVKOTFFDNC-UHFFFAOYSA-N 294.398 3.758 30 20 CHED CCCCCCCCCC(=O)NC[C@H]1CCC=CO1 781480089 MDWOUNCPCUDJLQ-OAHLLOKOSA-N 267.413 3.936 30 20 CHED Oc1ccc(Cl)cc1C=Nc1cccc2c1OCO2 782177442 SNJNMSNKKYFYFZ-UHFFFAOYSA-N 275.691 3.525 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2scnc2C2CC2)cc1F 782352861 WOTARLNPUGNCEA-AATRIKPKSA-N 298.342 3.927 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1F 1126354636 WXZTZIIHKHMEOF-BLLLJJGKSA-N 288.366 3.738 30 20 CHED c1ccc(C(CC2CCC2)=NOC[C@@H]2CCOC2)cc1 788034159 OUVRIQYHWKBFIU-OAHLLOKOSA-N 273.376 3.634 30 20 CHED Cc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1C 780188956 SEFGXOLBMQJFJK-OVCLIPMQSA-N 264.324 3.831 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1cc2ccccc2o1 786474026 CCVUIUOTCFTMNM-LBPRGKRZSA-N 274.316 3.630 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1sccc1O 782352834 VTPONJDJOPCNMW-ONEGZZNKSA-N 277.370 3.684 30 20 CHED O=C1/C(=C\c2c(F)ccc(O)c2F)CCc2ccccc21 794927504 RODYKDRIDFZZQU-LUAWRHEFSA-N 286.277 3.883 30 20 CHED COc1ccc(CCNN=Cc2ccsc2Cl)cc1 790167792 LAPUXIHUQRAOOS-UHFFFAOYSA-N 294.807 3.576 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CCC[C@H]2CCF)o1 794899335 JPQAFYQLAQOAAK-NSHDSACASA-N 292.358 3.672 30 20 CHED C=C1CCC(C(=O)NCCCCc2nc(C)cs2)CC1 896105396 NDBWERYPVADIDV-UHFFFAOYSA-N 292.448 3.637 30 20 CHED C=C1CCC(C(=O)NCc2ccc(-c3cnco3)cc2)CC1 898064841 IQGONRXNSYFGFU-UHFFFAOYSA-N 296.370 3.704 30 20 CHED C=CC(C)(C)CC(=O)[C@H](C#N)c1nc2ccccc2o1 892553778 VGXTYPWDLXWKPF-NSHDSACASA-N 268.316 3.606 30 20 CHED CC(C)c1ncc(C=NN[C@@H](C)C(C)(C)C)s1 793113680 BQLURNUOPUPNLH-JTQLQIEISA-N 253.415 3.625 30 20 CHED CC[C@H](OC(=O)c1cc(C#N)oc1C)c1ccc(OC)cc1 797947316 QEHHEDYYWVWLSF-INIZCTEOSA-N 299.326 3.776 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C1CCC[C@H]1CCF 794936209 QHAINOWKWJOMQP-VIFPVBQESA-N 283.278 3.662 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(N(C)C)c(C)c1 798497453 OKLDMPYQBSUYCQ-CYBMUJFWSA-N 275.396 3.537 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNC(=S)Nc1ccccn1 797402255 XSCMRAPXVWPPSM-NWDGAFQWSA-N 290.436 3.570 30 20 CHED C/C(=C/Cl)CS[C@@H](C#N)Cc1ccccc1 797809647 FBORJCCZUHBOII-BIRHUZIMSA-N 251.782 3.997 30 20 CHED CC(C)(CNC(=O)Nc1ccc(F)c(C#N)c1)C1CCC1 1215099017 YAMGBJCQNNCIJF-UHFFFAOYSA-N 289.354 3.645 30 20 CHED Cc1cc(Nc2ccc(OCC(F)F)cc2)ncc1C#N 1306985968 AFBWEYSRUZGKIQ-UHFFFAOYSA-N 289.285 3.649 30 20 CHED C[C@H]1CC[C@H](C)N1c1cc(Br)c(C#N)cc1F 1162787499 WUPFGHROXVQGRE-IUCAKERBSA-N 297.171 3.837 30 20 CHED COC(=O)c1ccccc1CSCc1ccccc1C#N 1166473316 BJQUHEHKPHTONJ-UHFFFAOYSA-N 297.379 3.778 30 20 CHED Cc1cc([C@H](C)Nc2nccc(C)c2C#N)c(C)o1 135072625 IEXFKQBQGPUXJH-NSHDSACASA-N 255.321 3.645 30 20 CHED C=C(C)COCCN[C@@H]1CCCCC12CCCC2 386609039 JVOLNQFSBYVHRT-OAHLLOKOSA-N 251.414 3.672 30 20 CHED COc1cc(/C=C2/CCOc3ccccc3C2=O)ccc1F 1319692616 YDADRHXXSQIEAB-RAXLEYEMSA-N 298.313 3.883 30 20 CHED CCCCCCCN(C)[C@@H]1CCCc2c1cnn2C 749544798 XNNNAGKUSIOOSL-OAHLLOKOSA-N 263.429 3.700 30 20 CHED N#CC1(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 1323986003 OQRFKJBOFAPIER-ZDUSSCGKSA-N 294.320 3.798 30 20 CHED COc1ccc(-c2ccncc2)cc1C=NOC(C)(C)C 1320395048 WPMJCPHPBYMFBK-UHFFFAOYSA-N 284.359 3.906 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1cc2c(s1)CCCCCC2 57309543 GUDBPUUSFDCBJJ-LBPRGKRZSA-N 290.432 3.639 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(-n2cccc2)ccc1F 1320400320 XOEGDOGCSRSHPB-UHFFFAOYSA-N 284.334 3.604 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(SCC)cc1 1325620534 ZVYQXSCMSQDOSV-OCCSQVGLSA-N 265.422 3.650 30 20 CHED C[C@@H](c1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 1328428756 FDSBYRRSGBDMJE-LLVKDONJSA-N 267.332 3.902 30 20 CHED C=CCn1cnnc1SCCc1ccc2ccccc2c1 1328352486 XDUANFVATJSOHB-UHFFFAOYSA-N 295.411 3.952 30 20 CHED C[C@@H]1CCC[C@@H](CNc2c(C#N)cccc2C#N)C1 1185027473 BVRQDEHLSQALCY-CHWSQXEVSA-N 253.349 3.668 30 20 CHED C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1nccs1 78835938 VIRLAEGQNUDGIS-ZETCQYMHSA-N 298.293 3.602 30 20 CHED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1nccs1 80263182 WUNXFDASIRNNBP-BXUZGUMPSA-N 271.389 3.817 30 20 CHED CC(C)(C)OCCCNc1cccc(Cl)c1C#N 596461401 HZSCEBBVOPHMIP-UHFFFAOYSA-N 266.772 3.829 30 20 CHED C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 1335942507 ZYEYAXXNHJBEOH-YYIAUSFCSA-N 293.451 3.521 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 71029267 RDJACNYTBVIZGN-QGZVFWFLSA-N 256.393 3.816 30 20 CHED C#Cc1cccc(N(CC)Cc2nc(C)c(C)s2)c1 763533591 VCCJVOZAYYLKSM-UHFFFAOYSA-N 270.401 3.768 30 20 CHED C[C@@H](NC(=O)CC#Cc1ccccc1)c1c(F)cccc1F 1335304796 UZSPYKIWKGZNND-CYBMUJFWSA-N 299.320 3.584 30 20 CHED C=C(C)CCC(=O)NC[C@H](C)Sc1ccccc1 1337166806 XLYRVMDTVGUUSD-ZDUSSCGKSA-N 263.406 3.640 30 20 CHED C#CCCCCC(=O)NCc1cccc(C(C)C)c1 772687627 PDIOOZGFUPLAIQ-UHFFFAOYSA-N 257.377 3.620 30 20 CHED CC1(C)CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 94267224 YXKMYDMDKONJMG-SNVBAGLBSA-N 283.297 3.963 30 20 CHED N#Cc1ccc(F)c(CNCc2cc(Cl)cs2)c1 785482933 JUFJUCIBCYBSJO-UHFFFAOYSA-N 280.755 3.702 30 20 CHED C=C1CCC(C(=O)N2CCCOc3ccccc32)CC1 1331289107 PJTNPYMPUKBQMG-UHFFFAOYSA-N 271.360 3.549 30 20 CHED C=C[C@@H](COC)N[C@H]1CCCc2c1[nH]c1ccc(C)cc21 1261139211 IUDSYNZJALZZFH-GUYCJALGSA-N 284.403 3.644 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1cnc(C)s1 1341165876 KXMURVKQIHNEPQ-DGCLKSJQSA-N 293.436 3.653 30 20 CHED CN(Cc1cc2ccccc2[nH]1)c1ncc(C#N)cc1Cl 1340109530 IFQVMOQTCRIFQL-UHFFFAOYSA-N 296.761 3.724 30 20 CHED C=CCOc1cccc(NC(=O)N2CC=CC23CCCC3)c1 1346395395 SQEHEYUTRXNEPO-UHFFFAOYSA-N 298.386 3.968 30 20 CHED N#C[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C1CCCC1 1353576473 SHNINIYTMSGTPQ-HNNXBMFYSA-N 294.354 3.759 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2cc(C#N)ccc2F)c1 1528456776 RXKKJWSRECPWDI-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1c(C#N)cccc1C(=O)N(c1ccccc1)C1CC1 1460102908 ZWVBAYWNGJCUBC-UHFFFAOYSA-N 276.339 3.676 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)Nc1cc(F)cc(C#N)c1 1462501329 CRQAWNLNQLFTRP-SJCJKPOMSA-N 284.334 3.885 30 20 CHED C[C@H](c1cccc(O)c1)N(C)c1nc(C#N)c(Cl)s1 1612067158 MCTHFWMNNOCJHL-MRVPVSSYSA-N 293.779 3.571 30 20 CHED CCCCCCCCNCc1ccc(OC)c(O)c1 105807542 UKWWYIBELNILSV-UHFFFAOYSA-N 265.397 3.851 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1Cc1cccc(C#N)n1 1659476041 UWDGAMNNERHJLB-SFHVURJKSA-N 291.398 3.721 30 20 CHED CCc1cccc2cc(CN3CCC[C@H](C#N)C3)oc12 1653091331 WFNTZOWGXGFJES-CYBMUJFWSA-N 268.360 3.731 30 20 CHED CC(C)CC(C)(C)CNC(=O)Nc1cccc(C#N)c1 1622820593 WHSYYGMPKKDHQB-UHFFFAOYSA-N 273.380 3.752 30 20 CHED CCCOc1ccc(CN2CCC[C@@](C)(C#N)C2)c(C)c1 1658582673 XLRKVMIAMMSZPK-SFHVURJKSA-N 286.419 3.910 30 20 CHED C#CCCCCCCN1C[C@H](CC(=O)O)c2ccccc21 1588441678 JJNUBNGXQUMFBO-HNNXBMFYSA-N 285.387 3.649 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc(C(=O)O)c(Cl)c1 1588692607 FRQQCUAQJOJKGQ-SECBINFHSA-N 282.723 3.546 30 20 CHED C=CCCC[C@H](NC[C@@H](CCC)c1ccccc1)C(=O)O 1776171187 FUXUWWZXIBHKFV-SJORKVTESA-N 289.419 3.969 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ccc(C(=O)O)c(F)c1 1776074568 IGYUDXIQUUBLBF-BXUZGUMPSA-N 290.338 3.914 30 20 CHED C=CCCCCN(C)[C@H](C(=O)O)c1ccc(F)cc1Cl 1776173682 TXYZYKKSKWUXKP-AWEZNQCLSA-N 299.773 3.893 30 20 CHED C=CCc1cccc(CN(C)[C@H](C(=O)O)c2ccccc2)c1 1776190860 CQURLCCQQCRAGG-SFHVURJKSA-N 295.382 3.673 30 20 CHED N#Cc1ccc(COC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 11808696 PYDKCMTXGMYEOE-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C=CCN(C)C(=O)c1oc2c(C)ccc(C)c2c1C 161609700 VZPJRNVNKLUTIR-UHFFFAOYSA-N 257.333 3.616 30 20 CHED C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1ccccc1 158719476 FEIYYDSGJBTALC-LBPRGKRZSA-N 282.368 3.678 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2cc(F)ccc2C#N)n1 160368974 XMPVHNBSRRWKPI-SFHVURJKSA-N 295.361 3.738 30 20 CHED C=C(C)CNC(=O)CCC(=O)c1ccc(CC(C)C)cc1 160994887 WIXGFWXRZFVSKJ-UHFFFAOYSA-N 287.403 3.540 30 20 CHED C=CCOc1ccc(CNC[C@@]2(C)CCCO2)cc1Cl 152893039 VWNQIBHNMZEUGM-MRXNPFEDSA-N 295.810 3.564 30 20 CHED C=C(C)CN(CC)[C@@H](C)c1ncc(C(C)(C)C)o1 152547490 BMAZAQIHWABYQQ-LBPRGKRZSA-N 250.386 3.931 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)CCOC)cc1 152770937 BFSVRISNNQIBBY-KBPBESRZSA-N 297.826 3.894 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 155121780 RMFWNOWLDUJBTI-KCPJHIHWSA-N 292.810 3.865 30 20 CHED C=CCCOCCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 155204373 ZMKIEOKBRBTWBE-DOTOQJQBSA-N 289.419 3.525 30 20 CHED Cc1ccc(CN[C@@H](CCC#N)c2ccccc2)cn1 156424007 KRVFQRWXBBQCQF-KRWDZBQOSA-N 265.360 3.525 30 20 CHED CSc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1F 154692571 DUAOSXOATVMOEM-UHFFFAOYSA-N 286.331 3.672 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C)c([N+](=O)[O-])c2)o1 209437057 ZOAHIKGSEVLKHX-SREVYHEPSA-N 271.272 3.701 30 20 CHED C=C(Cl)COC(=O)COc1ccc(Cl)c(Cl)c1 914681490 XYNRJTMGTZWWOZ-UHFFFAOYSA-N 295.549 3.668 30 20 CHED Cc1ccc([N+](=O)[O-])c(NCC(C)(C)CCC#N)c1 229702386 AASIDJDMKXPNDQ-UHFFFAOYSA-N 261.325 3.645 30 20 CHED CCSCC[C@H](C)NC1CC(C#N)(c2ccccc2)C1 128424170 IMSNMZGCSJKGGB-OOHWJJMZSA-N 288.460 3.732 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(C#N)cc2)o1 37505756 NKDKBCRESUVZGW-MLGOLLRUSA-N 266.344 3.564 30 20 CHED C=C(C)CN(CC)CCOc1cccc(Cl)c1 61758693 ADORPUSGMCBJAG-UHFFFAOYSA-N 253.773 3.617 30 20 CHED N#Cc1cnc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(Cl)c1 462906713 BVYGYEMSAXOOCN-JHJVBQTASA-N 275.783 3.987 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1C#N 308088635 NSYQZDGQLDGBKU-NSHDSACASA-N 262.328 3.708 30 20 CHED C=CCCCCN[C@H](C)c1cc(OC)ccc1OC 311610805 JFHREZKBBWTDBL-CYBMUJFWSA-N 263.381 3.711 30 20 CHED CCn1c(-c2ccc(C)cc2)nc2cc(C#N)ccc21 86635462 UEIUKOUBBPSOQQ-UHFFFAOYSA-N 261.328 3.903 30 20 CHED Cc1ccccc1C[S@@](=O)Cc1ccc(CC#N)cc1 342100438 KMRYOSKLNMSGFX-FQEVSTJZSA-N 283.396 3.510 30 20 CHED C#C[C@@H](NC(=O)C1CCC(C(F)(F)F)CC1)C(C)(C)C 491264304 FTEPTIHENNHXGU-HTAVTVPLSA-N 289.341 3.519 30 20 CHED N#Cc1ccccc1COC(=O)c1ccc2ncsc2c1 7005457 QCQUONFHYXNHJG-UHFFFAOYSA-N 294.335 3.525 30 20 CHED CN(Cc1ccc(Cl)s1)C(=O)c1sccc1C#N 52028917 XVSGZXMSLXXSLC-UHFFFAOYSA-N 296.804 3.607 30 20 CHED CCc1ccccc1NC(=O)CCc1ccc(C#N)cc1 10444339 VWNKQBMDZIIAGF-UHFFFAOYSA-N 278.355 3.692 30 20 CHED C=C(C)COC(=O)c1ccccc1C(=O)c1ccc(C)cc1 57984461 MPCILVLSJJFSCX-UHFFFAOYSA-N 294.350 3.959 30 20 CHED C=C(Cl)CSCc1cccc(NC(C)=O)c1 101586145 VCUAAECPXAXRAS-UHFFFAOYSA-N 255.770 3.631 30 20 CHED C=CCSCc1nc(-c2cccc(Cl)c2)no1 109468509 MNJPVJAKVOSQQJ-UHFFFAOYSA-N 266.753 3.809 30 20 CHED CC1(C)CC[C@H](NC(=O)NCCCCC#N)c2ccccc21 170885247 WRMXNPLCQVVHMU-INIZCTEOSA-N 299.418 3.792 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@H]1CC[C@H](C)C1 178378927 NSBHGAJBFZWDQZ-WCQYABFASA-N 256.349 3.632 30 20 CHED CC(=O)c1cc(F)ccc1OCc1cc(C#N)ccc1F 106145543 UHLJEYSVEFVQGK-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=CCN(Cc1ccccc1F)Cc1nccn1C(C)C 170958435 LBWQNRQXHRMTRQ-UHFFFAOYSA-N 287.382 3.791 30 20 CHED CC(C)(C)CN(CCC#N)Cc1c(O)cccc1Cl 119190100 MWPMEIVSNYQAQX-UHFFFAOYSA-N 280.799 3.807 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@@H]1C 66416785 UTOTTYWEIGVOIR-BBRMVZONSA-N 270.376 3.599 30 20 CHED CC(C)CC(C)(C)CNC(=O)c1cccc(CC#N)c1 175347720 ZCCYZRLRTOGMAV-UHFFFAOYSA-N 272.392 3.555 30 20 CHED N#Cc1cc(F)c(NCCCOc2ccccc2)c(F)c1 111142723 XBZFQDSROGLBLV-UHFFFAOYSA-N 288.297 3.717 30 20 CHED CCS[C@H]1CCC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 176704003 BVOUXNBXQWBNKA-KGLIPLIRSA-N 294.464 3.641 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)CC(C)C)c1ccccc1 179511949 QMIUHYMGIRETPQ-CABCVRRESA-N 259.393 3.897 30 20 CHED CC(C)[C@H]1CN(c2c(Cl)cccc2C#N)CCS1 301470489 OQBPUBFDLRISOJ-CYBMUJFWSA-N 280.824 3.789 30 20 CHED N#Cc1cccc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1 62159828 QKZJHLJUBCPKJZ-KRWDZBQOSA-N 276.339 3.691 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccn1C 66802415 MDEXKDGWGKLNDI-GFCCVEGCSA-N 299.399 3.672 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(Sc2ccccn2)cc1 116855486 ZYPSGACHEWRUHU-CYBMUJFWSA-N 298.411 3.927 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccnc1OC 348231775 PLJFFWOTJLTJMJ-UHFFFAOYSA-N 282.387 3.669 30 20 CHED N#CCc1cccc(C(=O)Oc2c(F)cccc2Cl)c1 179945869 BQHFZRXFCBTCSX-UHFFFAOYSA-N 289.693 3.764 30 20 CHED Cc1ncsc1CN(C)[C@@H](C)c1ccc(C#N)cc1 172398387 QPWQPJRGEWIKJJ-LBPRGKRZSA-N 271.389 3.516 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccccc1Oc1ccccc1 113690939 QIIPCOMEODQSHZ-ZDUSSCGKSA-N 281.311 3.938 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(Cc3ccccc3)CC2)c1 1436704537 BZRVXEJBDDXXPB-UHFFFAOYSA-N 290.366 3.828 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(Cl)c(F)c1 117001435 JCQQWKYYHVFAQZ-MRVPVSSYSA-N 256.708 3.565 30 20 CHED C#CCCCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1C 120345245 JRHFVERSLGYYGQ-KDOFPFPSSA-N 269.388 3.620 30 20 CHED C=CC1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)CC1 171952799 JZOFDAFVLLMOBD-OAHLLOKOSA-N 299.336 3.637 30 20 CHED Cc1sc(NC(=O)C[C@H]2C=CCC2)c(C#N)c1C 25870860 DHBXOHRJZLKPSW-NSHDSACASA-N 260.362 3.531 30 20 CHED COCc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 175761732 SDPDZRXPBHGSFU-CYBMUJFWSA-N 295.338 3.623 30 20 CHED C=C[C@H](CC(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 120101899 PHSKETJBUJHTEZ-CRAIPNDOSA-N 296.414 3.935 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1ccc(F)c(F)c1 120117523 WLTRDERUPBTNLZ-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=CCN(CC=C)C(=O)c1c(C)[nH]c2ccc(Cl)cc12 128945899 XUWITUZVCAKNTJ-UHFFFAOYSA-N 288.778 3.944 30 20 CHED CN(CCOc1ccccc1)c1c(Cl)cccc1C#N 303417691 BUNLWNLPGJLCFS-UHFFFAOYSA-N 286.762 3.727 30 20 CHED O=C(/C=C/c1cc2ccccc2s1)c1cnccn1 125533112 YPADDXBMKMYSGP-AATRIKPKSA-N 266.325 3.587 30 20 CHED C=CCC[C@H](NCc1ccn(-c2ccccc2)n1)C1CC1 120645433 DOSLSZLGVGHXOT-SFHVURJKSA-N 281.403 3.707 30 20 CHED C=CCSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 127215235 MGZGOATYGKAGMA-JQWIXIFHSA-N 251.399 3.616 30 20 CHED N#Cc1ccc(Cl)cc1OCc1cccc(F)c1 123009792 HVSPUCIZNOJYQA-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C[C@@H](C[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1C#N 124617565 IZLKSIAOUJZGQH-GWCFXTLKSA-N 298.308 3.947 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)CCc1cccc(F)c1 79867004 HDXLVQITGINCIM-CQSZACIVSA-N 290.382 3.545 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC)c1ccc(OC)cc1 78319357 RCOUWPTTXAXLOC-INIZCTEOSA-N 288.391 3.530 30 20 CHED C=CCCN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 181148714 MUKYMVVSHJYESH-CQSZACIVSA-N 269.392 3.627 30 20 CHED C=CCN(C(=O)c1cc(Cl)c(N)c(Cl)c1)C(C)C 126648205 JMMZYHMMEFIWFF-UHFFFAOYSA-N 287.190 3.612 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C/C=C/c1ccc(C)cc1 410826752 JBAOIRQUVCTOEM-YERXGYGTSA-N 270.376 3.549 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(C)c(F)c2)c1 501178854 VDGUDHBINPQMOZ-UHFFFAOYSA-N 285.318 3.951 30 20 CHED CC(C)(C)C[C@@H](NC(=O)CSCC#N)c1ccccc1 31799760 FHHUTQTVXCVYEI-CQSZACIVSA-N 290.432 3.537 30 20 CHED N#CC1CCN(Cc2cccc(Cl)c2Cl)CC1 123771030 QOWKRBNDHYECLA-UHFFFAOYSA-N 269.175 3.729 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1SCCc2ccccc21 182641198 YOEXSYFYVAITOM-CZUORRHYSA-N 289.444 3.878 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 75299802 PUJFLWXXERPTBF-CVEARBPZSA-N 294.354 3.500 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]1C1CCCC1 125833162 VNWBAVSDCUUXFH-INIZCTEOSA-N 261.409 3.936 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(SCC)c1 181725139 IUCSEAFATQNKTB-UHFFFAOYSA-N 264.394 3.838 30 20 CHED C=C(C)[C@@H](N[C@@H]1COC(C)(C)C1)c1ccc(F)c(F)c1 418016494 WXCYMIVRBYCTPJ-SWLSCSKDSA-N 281.346 3.739 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccncc1 120661173 FTNIILMJAOEYJU-NSHDSACASA-N 299.761 3.739 30 20 CHED C=CCOCCCC(=O)Nc1ccc(OC(C)C)cc1F 79838608 NZAFOLDZQZZDFY-UHFFFAOYSA-N 295.354 3.534 30 20 CHED CC#CCCCC(=O)NCc1ccc(Cl)cc1OCC 185928647 HCZLBLQFZLKECD-UHFFFAOYSA-N 293.794 3.549 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C2CCC2)c1 410015833 MPMILPWJRDBSNR-ROUUACIJSA-N 299.414 3.665 30 20 CHED Cc1cc(NC(=O)[C@@H]2CCC[C@H](C)C2)c(C#N)cc1N(C)C 415692816 MRMLLAGFEXMSKL-GXTWGEPZSA-N 299.418 3.698 30 20 CHED C=C(C)CCc1noc(-c2cc(F)ccc2F)n1 508643594 LMGBCPOEJXEHRH-UHFFFAOYSA-N 250.248 3.524 30 20 CHED C=CC[C@@H]1CCCN(Cc2cccnc2Cl)C1 852411053 ROFNAQRNFBJWKL-GFCCVEGCSA-N 250.773 3.523 30 20 CHED C=C(C)CCN[C@H](c1ccc2c(c1)OCCO2)C(C)C 508981165 XSPIMQFNYMNOHG-KRWDZBQOSA-N 275.392 3.711 30 20 CHED N#CCCCCNc1cc(C#N)ccc1C(F)(F)F 185355696 MZYJABUOFHQIJX-UHFFFAOYSA-N 267.254 3.683 30 20 CHED CCn1nccc1/C=C1\CSc2cc(C)c(C)cc2C1=O 186455417 DVUBBSLSQRJVEF-UKTHLTGXSA-N 298.411 3.892 30 20 CHED CC#CCCCC(=O)NCc1c(OC)ccc2ccccc12 184976567 NKRFYBVJTMTUPD-UHFFFAOYSA-N 295.382 3.658 30 20 CHED C=CCCN(CCC)[C@@H](C)CC(=O)Nc1ccccc1 502970836 QFRHCDJLVNQGQB-HNNXBMFYSA-N 274.408 3.692 30 20 CHED COc1cccc(OCCC2(C#N)CCCCC2)c1 418763632 NPVSKNQVPQITTM-UHFFFAOYSA-N 259.349 3.938 30 20 CHED CCOc1cc(CN[C@@H](CC)CC#N)cc(Cl)c1OC 184083918 ZBQGNOXJULKIGM-LBPRGKRZSA-N 296.798 3.529 30 20 CHED CC(C)COc1ccccc1CNCC1(C#N)CCC1 418141854 MDDNAQYCSJINAQ-UHFFFAOYSA-N 272.392 3.505 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)c2ccoc2C)cc1 74393624 CUNKCVMEUYBAGH-UHFFFAOYSA-N 298.342 3.547 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1c1ncc(C#N)cc1F 413275029 USNKFXNVQRYOLI-XJKSGUPXSA-N 295.361 3.865 30 20 CHED Cc1cccc(NCC(C)(C)CCC#N)c1[N+](=O)[O-] 338727929 VYNUUYZMNDMIEO-UHFFFAOYSA-N 261.325 3.645 30 20 CHED N#Cc1ccc(NCc2cc3ccccc3o2)c([N+](=O)[O-])c1 76799479 XENBZNLUMVBAAC-UHFFFAOYSA-N 293.282 3.825 30 20 CHED C=CCC[C@@H](NC[C@H](C)c1nccs1)C1CC1 186745356 PHKYQISCOSWPAJ-WCQYABFASA-N 250.411 3.581 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)C(=O)C2(C#N)CCCCC2)C1 174434056 BWSCTPUGMTULBY-ZIAGYGMSSA-N 294.464 3.593 30 20 CHED C=CCOCCSCc1ccccc1OC(F)F 419358164 IRMCBSRLTXUYMC-UHFFFAOYSA-N 274.332 3.724 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 44816648 VOPXHHASXGGLOM-CHWSQXEVSA-N 296.292 3.865 30 20 CHED CCCCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1 47052194 MVFWCGZHUHYSRC-CYBMUJFWSA-N 285.391 3.593 30 20 CHED N#CC1(CC[S@](=O)c2ccc(F)cc2)CCCCC1 414235309 UFODYFQPQWOTQY-IBGZPJMESA-N 279.380 3.797 30 20 CHED C=CCSCCNC(=O)c1ccc(O[C@H](C)CC)cc1 508903720 GQEPTBKGVWSYJW-CYBMUJFWSA-N 293.432 3.513 30 20 CHED N#Cc1ccc(NC(=O)NC2CCCCC2)cc1Cl 48474446 PGANOVQMXCQAFJ-UHFFFAOYSA-N 277.755 3.666 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1ccccc1F 410144660 HZSHZGPNLWYNSH-QWHCGFSZSA-N 263.356 3.790 30 20 CHED C[C@@H](S[C@H](C)c1cnccn1)c1cccc(C#N)c1 190827780 LLDKFYSYKXKTCO-VXGBXAGGSA-N 269.373 3.904 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)cc1O 424748836 IQFKPMSEKBBONM-UHFFFAOYSA-N 253.729 3.586 30 20 CHED CCCCCOc1ccc(Oc2cncc(C#N)n2)cc1 420582423 JCCHTHOZCSEGCQ-UHFFFAOYSA-N 283.331 3.710 30 20 CHED N#Cc1c(F)cccc1Cn1ccc(-c2ccccc2)n1 427536200 YHQKKBDGCPPGAK-UHFFFAOYSA-N 277.302 3.609 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 44469958 RJXNZLNEJWHLOE-NWDGAFQWSA-N 275.314 3.556 30 20 CHED Cc1cc(C)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1C 424328499 ODZOJVHXYPTIOM-HRCADAONSA-N 256.393 3.955 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCc1ccc(F)cc1 45934634 CVGPERCUWCKNOL-UHFFFAOYSA-N 297.373 3.973 30 20 CHED C#CCCCC(=O)N1CCCCC[C@@H]1c1ccco1 192334331 OHJHIXUZYFADDD-CQSZACIVSA-N 259.349 3.527 30 20 CHED C=CCC1(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCC1 425641972 XICIEYYZWQHEPB-AWEZNQCLSA-N 282.387 3.824 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2cc(Cl)ccc2Cl)C1 335612638 OTHFWDKDOQFDAI-WCBMZHEXSA-N 298.173 3.807 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccccc2C#N)cc1 194588221 FESMXJNJUBRKRR-ZHACJKMWSA-N 277.323 3.601 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C)C[C@@H]1F 425416048 HZFREUGPGWKKLX-GWCFXTLKSA-N 287.787 3.664 30 20 CHED C=CCc1ccc(OCc2nc(C)c(C)o2)c(OC)c1 195477978 VYOGGRKBZCNWSZ-UHFFFAOYSA-N 273.332 3.608 30 20 CHED N#Cc1ccc(CC(=O)N2CCC[C@H]2C2CCCCC2)cc1 194748687 DYRDMVXLNMCEJM-SFHVURJKSA-N 296.414 3.672 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 331036012 MVJXYCJBILVITH-XJKSGUPXSA-N 284.403 3.796 30 20 CHED COc1cnc(N=C(O)c2cnc(C(C)(C)C)s2)s1 330464495 UXPIRBOAIBPNQB-UHFFFAOYSA-N 297.405 3.542 30 20 CHED COc1cccc(CSc2ncc(C#N)cc2Cl)c1 513648855 AEYBSXVZFGXCSA-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](c2ccccc2)C1(C)C 422218415 YHJJHASHTCLCOU-MRXNPFEDSA-N 286.419 3.930 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 420606164 WWVUVBCPCZMZIS-OOVXXXAESA-N 298.777 3.811 30 20 CHED CCCCCC(C)(C)CNC(=O)Cc1ccc(C#N)cc1 94817552 XCXPCYCNSHRACQ-UHFFFAOYSA-N 286.419 3.823 30 20 CHED N#CCc1cccc(C(=O)N2CCCC3(CCCC3)C2)c1 336564516 WCSDSHHARYAQTC-UHFFFAOYSA-N 282.387 3.549 30 20 CHED N#Cc1ccc2c(c1)N(Cc1nc3ccccc3s1)CC2 339822287 QCNWBIQBHSKPLE-UHFFFAOYSA-N 291.379 3.731 30 20 CHED C=CC[C@@H](CO)CNCC(c1ccccc1)c1ccccc1 511911405 PBJVJLWNMLPAKP-QGZVFWFLSA-N 295.426 3.593 30 20 CHED CCc1cccc(NC(=O)c2cc(C#N)oc2C)c1CC 437177708 BDSANNLWYSRGQS-UHFFFAOYSA-N 282.343 3.837 30 20 CHED CCC(CC)C/N=C(/O)c1cc(C(C)(C)C)on1 330890336 WCGCZKURGNZJLR-UHFFFAOYSA-N 252.358 3.713 30 20 CHED CC[C@H](C)[C@H](/N=C(/O)c1cc(C#N)oc1C)C(F)(F)F 331238045 NDAHTYXSTFQLRD-CPCISQLKSA-N 288.269 3.741 30 20 CHED CC(C)CC(CC(C)C)/N=C(/O)c1c[nH]c(C#N)c1 330716479 UMHIBLLOGHWZQG-UHFFFAOYSA-N 261.369 3.652 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1nccc(C#N)c1Cl 233876631 IRXFSVWSZBIDGH-NXEZZACHSA-N 251.761 3.843 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2)ccc1O 96766616 OVWVOARPOHZGTN-WMZJFQQLSA-N 298.338 3.696 30 20 CHED CCSCc1cccc(NC(=O)N(C)C[C@@H](C)C#N)c1 438362168 WVMINJVQLDHJCK-LBPRGKRZSA-N 291.420 3.563 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)N1CC(C)(C#N)C1 435924608 WECWQJQCYYCUMN-HNNXBMFYSA-N 276.424 3.745 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 434029980 FIFVEPRUBPRQQR-KFWWJZLASA-N 276.424 3.744 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(F)c(OC)c2)no1 345932775 IENZBMXAMPQFOK-UHFFFAOYSA-N 299.305 3.539 30 20 CHED CSc1ccc(C)c(NC(=O)Cc2ccc(C#N)cc2)c1 343083654 HDLFZXCZODWWKA-UHFFFAOYSA-N 296.395 3.770 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 436404812 ABURQQCBDPFDEW-IRWJRLHMSA-N 272.367 3.744 30 20 CHED CCCCCCCCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 247172283 LHXOWDMBQKFTFG-FVQBIDKESA-N 281.440 3.667 30 20 CHED CCC(CC)(CC)[S@](=O)CCCC1(C#N)CCOCC1 346508095 NXRWVHLDHJEPGA-HXUWFJFHSA-N 299.480 3.804 30 20 CHED COCCCC[C@H](Nc1cc(C#N)ccn1)c1ccccc1 343085543 PSJXIAYWUYVRLZ-KRWDZBQOSA-N 295.386 3.923 30 20 CHED C[C@H](C(=O)NCC(C)(C)CCC#N)c1ccc(F)c(F)c1 345979892 BLNKHGGTPJPHDB-NSHDSACASA-N 294.345 3.514 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(N2CCCCC2)cc1 243333047 LPYPAIGPCBHOIS-UHFFFAOYSA-N 299.418 3.883 30 20 CHED Cc1ccnc(N[C@@H](C)c2c(F)cccc2F)c1C#N 343523007 XHMCJKYXRFNHQI-JTQLQIEISA-N 273.286 3.713 30 20 CHED COCc1cc(C#N)ccc1N1CCCc2sccc2C1 603294141 YREDBWPAZQGYBD-UHFFFAOYSA-N 298.411 3.719 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCC(C)(C)C1 435735348 MEAZNRLZZXMSKN-ILXRZTDVSA-N 251.414 3.526 30 20 CHED CC1(C)CCN(CC#Cc2ccc(Cl)cc2)CCS1 434683893 GGNMOOKKBOKDQM-UHFFFAOYSA-N 293.863 3.909 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(F)c(C)c1 436073122 HRTSZJNAHPBTLC-MRXNPFEDSA-N 263.356 3.695 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@@H]2C2CCCCC2)s1 540802783 LBRRSWQSOOPGEY-CABCVRRESA-N 260.406 3.678 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1ccc(OC(C)C)cc1 255850462 YVTOZKBZSWCMGJ-KTKRTIGZSA-N 285.343 3.975 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)c1ccc(C(C)C)s1 344724266 UPGUDTXWWRGLJN-AWEZNQCLSA-N 296.461 3.637 30 20 CHED Cc1ccc2occ(CC(=O)N[C@](C)(C#N)C(C)(C)C)c2c1 602301938 BYVIEPGDZUICOL-GOSISDBHSA-N 298.386 3.728 30 20 CHED COc1cccc(OCCSc2cccc(C#N)c2)c1 443513637 BLDONVZGXNPSDH-UHFFFAOYSA-N 285.368 3.738 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H]2Cc3ccccc32)c1 607821588 QEIBQFNEHFXFHD-SFHVURJKSA-N 293.366 3.920 30 20 CHED C=CCCN(C)Cc1cnc(CCc2ccccc2)s1 449268311 FRVLLGQKMWSVOR-UHFFFAOYSA-N 286.444 3.936 30 20 CHED C[C@H](CCC#N)CN[C@H]1C[C@H](c2ccccc2F)C1 602644406 CJFFPMNRTZNUQR-MGPQQGTHSA-N 260.356 3.601 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 448581365 JYEXGHLKUYXHHV-UHFFFAOYSA-N 287.359 3.879 30 20 CHED CCN(CCC#N)Cc1cccc2c(OC)cccc12 449010742 UOFLQRSYCZDBGB-UHFFFAOYSA-N 268.360 3.584 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C(C)C)cn1 355675985 PYTONDRTLDSFEI-CYBMUJFWSA-N 260.381 3.680 30 20 CHED CC[C@H]1CCCCN1C(=O)C[C@H](CC#N)c1ccccc1 353310910 HFHRYOMIWCYMKI-IRXDYDNUSA-N 284.403 3.865 30 20 CHED Cc1ccc2[nH]c(C(=O)N[C@H](C#N)C3CCCCC3)cc2c1 530654086 DDQKDIIFYQNSBG-QGZVFWFLSA-N 295.386 3.679 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)c(Cl)c1Cl 448842431 CAQXJGLFYDBLRQ-AWEZNQCLSA-N 299.201 3.970 30 20 CHED COCc1cc(C#N)ccc1N[C@@H]1CCCC(F)(F)C1 603314221 QNPOXHZRVYJLCH-CYBMUJFWSA-N 280.318 3.694 30 20 CHED N#Cc1ccc(CS[C@@H]2CCCOC2)c(OC(F)F)c1 355415127 FYSJCZIJVQGECQ-GFCCVEGCSA-N 299.342 3.572 30 20 CHED N#Cc1ccncc1N[C@@H]1CCc2sc(Cl)cc21 357610446 XJXCEJNWVGCRTI-SNVBAGLBSA-N 275.764 3.768 30 20 CHED Cc1ccc(CN(CCC#N)Cc2ccccn2)c(Cl)c1 447311130 FOUJMGJYWFOFIW-UHFFFAOYSA-N 299.805 3.959 30 20 CHED C=C(C)COCCN[C@H](C)c1cc(C)c(F)c(C)c1 537961240 CFLUWDGSXANFGP-CQSZACIVSA-N 265.372 3.686 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N(C)CC(C)(C)C#N 353188360 VDEQISRHPXBSSY-LSDHHAIUSA-N 298.430 3.984 30 20 CHED C=CC[C@H](C)N[C@H]1CCCOc2cc3c(cc21)CCC3 358049771 RUHHBCAJNVUHPE-GUYCJALGSA-N 271.404 3.943 30 20 CHED COc1ccccc1[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccco1 442841739 ASHRDUGMLKYKAR-LBTNJELSSA-N 296.370 3.659 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)o2)[C@H]2CCCC[C@H]21 535072791 OVKVMZJSZVZDMH-KCXAZCMYSA-N 258.365 3.552 30 20 CHED C=CC[C@@H]1N(Cc2nnc(OCC)s2)CCCC1(C)C 444774246 HYTIXOTYCFRWAH-LBPRGKRZSA-N 295.452 3.504 30 20 CHED C=CCCC1(C(=O)NCc2ccc(COCC)cc2)CC1 354427561 SWWLCGAMUPDDRI-UHFFFAOYSA-N 287.403 3.586 30 20 CHED C=C(CC)CSCc1csc(-c2ncccn2)n1 358633137 IGFPCFHELFVFJP-UHFFFAOYSA-N 277.418 3.800 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCc3ccccc3C2)C1 617777153 IZQAIYLSLWXBFN-YJBOKZPZSA-N 283.415 3.606 30 20 CHED CC(C)C(C)(C)CNC(=O)Nc1cccc(CC#N)c1 455902343 GOJJNWIZQVSHEY-UHFFFAOYSA-N 273.380 3.556 30 20 CHED CC(C)(C#N)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl 613889442 GQNGXCQFHRHVCB-UHFFFAOYSA-N 288.134 3.863 30 20 CHED Cc1cc(CN2CCOc3ccccc3[C@H]2C)ccc1C#N 618593556 DNZGGEOMAULUIR-OAHLLOKOSA-N 292.382 3.822 30 20 CHED Cc1cc(CCCC(=O)N[C@H](C#N)CC(C)C)c(C)s1 610650347 BKOMWFINFRJWBU-HNNXBMFYSA-N 292.448 3.742 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)cc1)C(C)(C)C 452664412 TUONOUGSSVSVPX-CQSZACIVSA-N 258.365 3.503 30 20 CHED CC(C)N(CCC#N)C(=O)CC[C@@H](C)c1ccccc1 533542369 VFTWLCGUHWUQJJ-OAHLLOKOSA-N 272.392 3.721 30 20 CHED CCCN(CCc1cccc(F)c1)C[C@@H](C#N)CCC#N 265020492 SGCCSHQSVBPUSI-MRXNPFEDSA-N 287.382 3.524 30 20 CHED C=CCC1(NC(=O)NC[C@@H](C)C(F)(F)F)CCCCC1 458658929 OMSRYDMVZRUCEI-LLVKDONJSA-N 292.345 3.763 30 20 CHED C[C@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CCC1 457597977 AZKDSAUOSSVCAD-WBAXXEDZSA-N 296.414 3.721 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)c1cccnc1C#N 613073403 IHSLMZJIWSPCAI-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C1CCC1 457418340 HCDMNGRJRNLIAP-AWEZNQCLSA-N 284.403 3.733 30 20 CHED C[C@@H]1CCC[C@@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 611142262 IOZSLPHPNUMPNA-PELKAZGASA-N 297.185 3.783 30 20 CHED C=CC(C)(C)CNC(=O)Cc1cccc(OC/C=C/C)c1 452780866 GFCYWHMRGUWRLF-FNORWQNLSA-N 287.403 3.512 30 20 CHED CC[C@](C)(CN[C@@H]1CCCCc2cc(C#N)ccc21)OC 453303672 NNSZHZLDQNCIDR-QZTJIDSGSA-N 286.419 3.730 30 20 CHED CCC(CC)Oc1ccc(C(=O)NCC(C)(C)C#N)cc1 450526952 XAVJNIXSMIRHMX-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(CC#N)c2)C1 456738812 UXLVQVQPAJDLOY-HIFRSBDPSA-N 270.376 3.908 30 20 CHED C=CCn1c(S[C@H]2CC[C@@H](C)C2)nnc1C1CC1 272439869 STDAZQDPMLAZQV-PWSUYJOCSA-N 263.410 3.622 30 20 CHED CC[C@@H](C)CSCCOc1ccc(C#N)cc1OC 362405699 KVAIECFWFQKNFF-GFCCVEGCSA-N 279.405 3.725 30 20 CHED C=CC[C@H](C(=O)NCc1ccc(C)c(C)n1)c1ccccc1 458022260 ZVAIFZXMEVZESV-SFHVURJKSA-N 294.398 3.675 30 20 CHED C=CCCc1noc(C2(Cc3ccccc3F)CC2)n1 453222674 AAZFPSPDTWSMEA-UHFFFAOYSA-N 272.323 3.602 30 20 CHED CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NCc1ccc(C#N)s1 540651925 MWSRWLOTHQTCQP-DFBGVHRSSA-N 292.448 3.549 30 20 CHED C=CCSc1ccccc1C(=O)N(C)Cc1ccoc1 362387506 VOXIYFDWJICINC-UHFFFAOYSA-N 287.384 3.830 30 20 CHED N#Cc1cccc(CNc2ccc([C@H]3CCOC3)cc2)c1F 453125613 SUUOYVAUTOBTAS-INIZCTEOSA-N 296.345 3.813 30 20 CHED C=CCC1(CNC(=O)c2ccccc2C(C)=O)CCCC1 456490499 WYRSPHKZNJZRIS-UHFFFAOYSA-N 285.387 3.756 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)CCc1ccccc1C 454908632 JJLIGWGXTFJWJF-MRXNPFEDSA-N 274.408 3.534 30 20 CHED Cc1noc(C)c1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 363285372 JIVBLGMOPBKEGL-SJLPKXTDSA-N 295.386 3.563 30 20 CHED C=CCCc1noc([C@H]2COc3ccc(Cl)cc3C2)n1 453250037 XLJUNUXARPNFML-LLVKDONJSA-N 290.750 3.560 30 20 CHED Cc1cc(Cl)c(C(=O)N[C@@H](C#N)C(C)(C)C)cc1C 272935440 IWNZJHNYIKACCD-ZDUSSCGKSA-N 278.783 3.625 30 20 CHED Cc1ccc(C(=O)NCC2(CC#N)CC2)c(Cl)c1Cl 451384719 OXTVHXNGQQTQDW-UHFFFAOYSA-N 297.185 3.726 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)C(C)(C)C1 273671865 JEMWUCHOGQEHBS-ZDUSSCGKSA-N 285.391 3.767 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 627519269 OSIWRIOKYFJPAP-JKSUJKDBSA-N 271.404 3.817 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 628395739 VGJIFNATTWZJKK-RYUDHWBXSA-N 271.351 3.505 30 20 CHED C=CCN(C(=O)C1(c2cccc(OC)c2)CCCC1)C1CC1 542521304 CEIPRPAENPLDKR-UHFFFAOYSA-N 299.414 3.684 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@H](C)C[C@@H]1CC 460374592 ILTBMMCIVPIGLU-CABCVRRESA-N 290.455 3.678 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2ccn(CCC)c2c1 465260922 YWRQRUDDIDYAPH-LBPRGKRZSA-N 271.364 3.747 30 20 CHED CC(C)C[C@@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CCO1 272035259 SQIOIZDXESFABT-CHWSQXEVSA-N 293.798 3.612 30 20 CHED C=C(C)CNC(=O)c1c(C)cc(C)c(Br)c1C 626518743 COLSGZQNHFHTTP-UHFFFAOYSA-N 296.208 3.680 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1 378140581 NUWWNLXUARSJNV-KBXCAEBGSA-N 296.414 3.742 30 20 CHED CCC(CC)CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 285375017 MSIVLPFCOXZDAK-UHFFFAOYSA-N 290.382 3.527 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccccc1CC#N 559250138 LGAYAWUEYIDVGU-ZDUSSCGKSA-N 296.345 3.709 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC(C)(C)CC1 466409563 NATDRMSJVQQMDW-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED N#CCN[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 551428666 WKHXHQBENWLSAC-LSDHHAIUSA-N 262.784 3.869 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1nc(CC)cs1 553276400 YXOSYEROJGTRKO-SNVBAGLBSA-N 267.398 3.572 30 20 CHED C=CC[C@H](CC)N[C@H]1Cc2[nH]c3ccccc3c2C1 282258166 JUDGFPLOWSGBFG-QWHCGFSZSA-N 254.377 3.579 30 20 CHED C[C@H](C#N)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 461877627 NOAUULWNFXDWMM-MLGOLLRUSA-N 298.773 3.705 30 20 CHED Cc1ccccc1C[C@H](NCCCCC#N)C1CC1 284265781 JCZBVQDRPXFQDO-KRWDZBQOSA-N 256.393 3.600 30 20 CHED C[C@H]1CCN(CCCSCC#N)CC12CCCCC2 462451682 KGHAYTIKFSSJAW-HNNXBMFYSA-N 280.481 3.926 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccccc2CC)no1 289002671 OAWAYHCBFCKXHG-QGZVFWFLSA-N 286.375 3.779 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1ccc(C(F)(F)F)nc1 288701888 DHODRNAYQBAAEL-SNVBAGLBSA-N 299.292 3.754 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 467319528 ZOSXJXGGWGXLDY-HZPDHXFCSA-N 261.409 3.840 30 20 CHED N#CCC[C@H](C#N)CNCc1cc(Cl)sc1Cl 552351007 KSAIBHIKQFJSJM-MRVPVSSYSA-N 288.203 3.588 30 20 CHED CC(C)(Cc1ccccc1)C(=O)NCC1CCC(C#N)CC1 282572674 DCSUSVGAXILKJK-UHFFFAOYSA-N 298.430 3.701 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H]2CCC[C@]2(CN)C1 387320569 RWLQDSKIRFFQJO-WMZOPIPTSA-N 294.483 3.715 30 20 CHED C[C@@H]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)[C@H](C)C1 551573639 XJMNCVKMTJUNNT-CPUCHLNUSA-N 268.404 3.962 30 20 CHED C=CCCCCNC(=O)C1(c2ccc(C)c(OC)c2)CC1 471699938 FENFBSMVERFMIL-UHFFFAOYSA-N 287.403 3.508 30 20 CHED C=CCCCCCN(C)C(=O)c1cnn(CC)c1C1CC1 639806983 MBOWEPJTQVRWAD-UHFFFAOYSA-N 289.423 3.599 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(Cl)c1C 806098220 NKFNXCXTEQEQOW-NSHDSACASA-N 264.756 3.572 30 20 CHED C=C(Cl)CN[C@H](C)c1cccc(N2CCCC2)c1 298895014 LVQWLYBWRJKLBW-CYBMUJFWSA-N 264.800 3.690 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1cn(C(C)C)nn1)C2=O 806573146 XBIBFILXJIZGFQ-NTEUORMPSA-N 295.386 3.688 30 20 CHED CCC[C@H](C)c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1 809360137 VORIBNZOBOZCSL-SWLSCSKDSA-N 294.358 3.695 30 20 CHED CCC[C@@H](CC)SCC(=O)N(CC#N)c1ccccc1 477041812 GCWGDJMKLHMZQB-OAHLLOKOSA-N 290.432 3.855 30 20 CHED C=CCCCCNC(=O)Nc1ccc(F)c(C)c1 473681666 XONPWQMPDQIRBU-UHFFFAOYSA-N 250.317 3.612 30 20 CHED CC(C)(C)[C@H](NC(=O)CCCC#N)c1ccc(F)cc1F 291958023 RBHXFODCCVINIZ-OAHLLOKOSA-N 294.345 3.862 30 20 CHED C=CCOc1ccc(OC(=O)C(C)(C)C2CC2)cc1 805889820 PLLVDWSKGNYGOX-UHFFFAOYSA-N 260.333 3.593 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)CN(C)Cc1ccccc1 564148051 LNLVUHGVSYEDFJ-BBWFWOEESA-N 274.452 3.697 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 295419410 CPCVSIRKWYMMQW-ZDUSSCGKSA-N 269.388 3.791 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@@H](C(C)C)C2)CC1 474713106 WQNKNPRNLVUFKD-SJLPKXTDSA-N 278.484 3.831 30 20 CHED C#C[C@@H](CC)N[C@H]1CC=C(c2ccc(F)cc2)CC1 809686798 LKCYPTLRPJBVMZ-IRXDYDNUSA-N 257.352 3.763 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCC23CCC3)c1 800481763 ZZZRQIJXHXIFHU-RDJZCZTQSA-N 284.403 3.790 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@H](C)c1nc(C)no1 642194429 DLEKBRLXQIVHDZ-SECBINFHSA-N 297.811 3.842 30 20 CHED C=CCCCCCCCCNC(=O)N1CCC(OC)CC1 805136535 LQPNHSIEJUBELW-UHFFFAOYSA-N 296.455 3.724 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](Cc1ccccc1C)C1CC1 563683622 WPYGSHUXOAFJQS-ZCNNSNEGSA-N 299.458 3.887 30 20 CHED c1ccc2c(c1)C(=NNC[C@@H]1CCSC1)c1ccccc1-2 811660778 UYBZQZOAABAYNC-ZDUSSCGKSA-N 294.423 3.762 30 20 CHED CC(=NOCC1CC1)c1ccc(-c2ccncc2)cc1 814241268 IDEQKRYMRQMSFT-UHFFFAOYSA-N 266.344 3.899 30 20 CHED CC(C)c1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)s1 562147501 LZBMAIMAYDDCHS-LBPRGKRZSA-N 264.394 3.540 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](C1CCCCC1)C(F)(F)F 486185492 HCXJKLVILOACEE-GFCCVEGCSA-N 290.329 3.554 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@@H]1CC1(C)C 486234817 WOWXXQIUQRQNCE-LBPRGKRZSA-N 275.417 3.741 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 485591556 NXAMXUSMWBUZGC-ZDUSSCGKSA-N 264.756 3.912 30 20 CHED CSCC(=NOC/C=C/Cl)c1ccccc1 811667885 GCRYVXWOFCRIJU-BNMMJWCLSA-N 255.770 3.523 30 20 CHED C#C[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1ccc(Cl)cc1 811949210 SBEYUUPNHBOXDU-QGZVFWFLSA-N 299.801 3.877 30 20 CHED C(=NNC[C@@H]1CCSC1)c1csc2ccccc12 811661498 LYLBBHHSRBFWKN-NSHDSACASA-N 276.430 3.578 30 20 CHED C#CCOCSc1nnc(-c2cccc3ccccc23)o1 814750725 XDKWHFAPUQKFQV-UHFFFAOYSA-N 296.351 3.589 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1c2ccccc2CC[C@H]1C 815888558 QYLZEEHNDRMFKE-BXUZGUMPSA-N 279.330 3.638 30 20 CHED C[C@@H](NN=C1CCc2cc(Cl)ccc21)c1ccncc1 819814972 JXKIZESTAWGBAY-LLVKDONJSA-N 285.778 3.736 30 20 CHED CC(C)CCc1noc(C[C@@H](CC#N)c2ccccc2)n1 571084925 CUKUCKDWDXADMN-OAHLLOKOSA-N 283.375 3.898 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C(C)(C)c1ccc(Cl)cc1 484387900 UHZMFLFAXXABHL-LBPRGKRZSA-N 292.810 3.626 30 20 CHED C[C@H](NN=C1CCCC[C@H]1CCCO)c1ccccc1 814815141 ODRNFNXFKSFNJJ-HOCLYGCPSA-N 274.408 3.656 30 20 CHED C(=NNc1ccccn1)c1ncc(-c2ccccc2)s1 811631590 DZMGCNLWRQBAPY-UHFFFAOYSA-N 280.356 3.651 30 20 CHED C=C[C@H]1CCCCN1C(=O)COc1cccc2ccccc12 488847792 ABOJPRJVBSQYOZ-INIZCTEOSA-N 295.382 3.786 30 20 CHED CC(C)CC[C@H]1CCCN1c1ccc(C#N)c([N+](=O)[O-])c1 575376766 HSCSBAIMPSZUKK-CQSZACIVSA-N 287.363 3.871 30 20 CHED Cc1ccc(N(C)[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)cc1 815090261 IEYMGGMKVHBOPY-NZSAHSFTSA-N 297.446 3.588 30 20 CHED C=CCCCCCN1CCC[C@@H](CC(=O)OC(C)C)C1 488333563 VASUDTVVSUNLMX-INIZCTEOSA-N 281.440 3.787 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2ccc(OC)cc2s1 489495475 JKIXHCRYJGPPSQ-LBPRGKRZSA-N 288.416 3.845 30 20 CHED c1ccc(OCCCNN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 729147989 PWSGFTSMLQRBML-BGTYHANMSA-N 298.430 3.857 30 20 CHED CC[C@H](CC#N)NCc1c(Cl)ccc2cccnc12 576440599 NHHNELQJRAHMJA-GFCCVEGCSA-N 273.767 3.670 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)C#Cc1cccs1)C1CC1 825722604 YBOFIBMOSWAGOM-CHWSQXEVSA-N 275.417 3.525 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc3nc(C)oc3c2)C1 665451613 SBXRVVPITLWCOM-ZDUSSCGKSA-N 299.374 3.956 30 20 CHED CC(C)C1CCC(=NNc2ccc(Cl)nn2)CC1 729632442 DTFMBZRBRWSOEJ-UHFFFAOYSA-N 266.776 3.744 30 20 CHED C#CCCOc1ccc(C(=O)N(C(CC)CC)C2CC2)cc1 822985372 XQEZVLXBVBTWRP-UHFFFAOYSA-N 299.414 3.882 30 20 CHED Cc1ccccc1C=NNc1cccc([N+](=O)[O-])c1C 727972907 KWPGNTPYHVJOQL-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C#Cc1ccc(C(=O)N(c2ccccc2)C2CCCC2)nc1 731171894 MHZBXZHCSXSZBD-UHFFFAOYSA-N 290.366 3.652 30 20 CHED C=C(Cl)CNC(=O)C[C@H](C)c1ccc(CC)cc1 737858287 WAPMIYKLHCUAJR-NSHDSACASA-N 265.784 3.611 30 20 CHED CCCc1ccc(/C=C2\C(=O)c3nccn3[C@H]2C)s1 901565744 NWIKFJUAEDAJAK-AVMBBCFPSA-N 272.373 3.738 30 20 CHED C=CCCCOC(=O)c1c(F)cccc1NC(=O)C(C)C 735536254 OFLIEMWGETYOGI-UHFFFAOYSA-N 293.338 3.543 30 20 CHED CC[C@H](OC(=O)CCc1ccc(C#N)cc1)c1ccncc1 839005142 NTSDALDANNBKJQ-KRWDZBQOSA-N 294.354 3.580 30 20 CHED CCCCCCCCCN(C)C(=O)NC[C@@]1(C)CCOC1 733351369 BDMIJJBQVXAHEL-QGZVFWFLSA-N 298.471 3.805 30 20 CHED C=C(C)CCc1noc(-c2cc(SC)oc2C)n1 664878931 YGOWMSMFYYNSRS-UHFFFAOYSA-N 264.350 3.869 30 20 CHED CC[C@H](OC(=O)COc1cccc(C#N)c1)c1ccccc1 733454118 BIVDNSGCEDPNCT-KRWDZBQOSA-N 295.338 3.632 30 20 CHED CC(C)(C#N)CN[C@H]1CCCc2ncc(C(F)(F)F)cc21 903102040 QHJRHYADVHBBLP-ZDUSSCGKSA-N 297.324 3.617 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1ccc(C#N)cc1)CO2 737442360 AARMFDMOZXHJLC-SXGWCWSVSA-N 289.334 3.834 30 20 CHED C=C(C)CN1CCc2c(F)cc(Br)cc2C1 675249272 VVNGLJPYNAYDSN-UHFFFAOYSA-N 284.172 3.522 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCC[C@@H]1F 582561168 WZXQARQQXKRSQJ-GVDBMIGSSA-N 272.367 3.806 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 586806908 QYKUGPURXPEIKK-LISAXSMJSA-N 288.435 3.745 30 20 CHED CCC[C@](C)(CC)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839059419 PNKCINROJSTXSU-GUTXKFCHSA-N 251.370 3.828 30 20 CHED Cc1ccc(C)c2sc(NC(=O)CCCC#N)nc12 589698953 BLSPECPMUCIRAW-UHFFFAOYSA-N 273.361 3.546 30 20 CHED C=C(C)CN=c1[nH]c(-c2ccc(F)cc2F)c(C)s1 589631592 GMUWJKZXSMXQIQ-UHFFFAOYSA-N 280.343 3.807 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2ccncc2)c1 588386312 DIKFXPLPJHUMCL-SREVYHEPSA-N 267.328 3.765 30 20 CHED CC(C)(C)[C@@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1 583435608 QDBPNTVDIBFDSP-BBRMVZONSA-N 287.382 3.946 30 20 CHED CCC[C@H](NC(=O)C#CC(C)C)c1ccc(F)cc1F 830053624 XWROJOFLKVLGSQ-HNNXBMFYSA-N 279.330 3.582 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(C)c(C)c1)c1ccncc1 734235247 ZVWIQEWGKATORS-QGZVFWFLSA-N 280.371 3.746 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCCCCC#N 588662808 NMQTUGPKXTXEBK-RDTXWAMCSA-N 284.403 3.900 30 20 CHED CCCCCCCCCOC(=O)C1CCOCC1 918996740 IUXGJWXYQZPXBH-UHFFFAOYSA-N 256.386 3.707 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)/C=C(/C)C1CC1 839891982 SNELUSCKXLHSBG-AINHQSCGSA-N 269.388 3.646 30 20 CHED C=CCCOCC(=O)Nc1cccc(-c2ccccc2)c1 672486856 HACYOOWZYFLYJA-UHFFFAOYSA-N 281.355 3.885 30 20 CHED CCC(=NNc1nccnc1C1CCC1)C1CCC1 834979801 OAQNRAGQYQHIDH-UHFFFAOYSA-N 258.369 3.722 30 20 CHED CC1(C)CN(Cc2ccccc2C#N)[C@H]1c1cccnc1 590051031 XLCLDRRKGNLLNQ-KRWDZBQOSA-N 277.371 3.536 30 20 CHED CCc1ccccc1NN=Cc1nc(C)n2ccccc12 915051825 UHHNWSIWJHWGPP-UHFFFAOYSA-N 278.359 3.651 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](C)CC(C)(C)C1 594337027 DNRNJMHNTJALHA-CABCVRRESA-N 298.430 3.631 30 20 CHED CC1=C(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)CCC1 747247054 ZWNNMMRPTUTZMP-GFCCVEGCSA-N 274.389 3.943 30 20 CHED C[C@H]1CCCCN1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 594466956 DEQCJLSRVWXMDF-UONOGXRCSA-N 285.391 3.545 30 20 CHED Fc1cccc(NN=C2CCc3ccc(F)cc32)c1 748786518 TZRNEKMXCMFGEJ-UHFFFAOYSA-N 258.271 3.727 30 20 CHED C(=NNc1ccc2ccccc2n1)c1cnc2ccccc2n1 744596173 HFBRNTAAXHXVCC-UHFFFAOYSA-N 299.337 3.624 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C#N)CCc1ccccc1 598521452 HFTYDBXJZKDTJG-MRXNPFEDSA-N 284.403 3.620 30 20 CHED CC[C@H]1CCCCN1C(=O)CC1(C#N)CCCCC1 596624364 AIPVIRICZSKTMB-AWEZNQCLSA-N 262.397 3.642 30 20 CHED N#CCc1ccccc1C(=O)OCCCC1CCCC1 744615764 ZTWOQYPQQHZLFK-UHFFFAOYSA-N 271.360 3.880 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CC12CCC2 675330282 JPQWPXNPBQDCCF-OAHLLOKOSA-N 261.409 3.772 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)CC1(C#N)CCCCC1 596633264 BEGFBGPUKGZJBH-ZIAGYGMSSA-N 262.397 3.545 30 20 CHED N#CCCN(Cc1ccco1)C(=O)c1ccc(C2CC2)cc1 597024384 INJWAMNKYMAKSH-UHFFFAOYSA-N 294.354 3.713 30 20 CHED Clc1ccc(NN=C2CCCCc3ccccc32)nn1 916288089 LWYISZPVOZPJNS-UHFFFAOYSA-N 286.766 3.673 30 20 CHED C#CCOc1cc(F)ccc1NCc1sc(C)nc1C 742376144 NFJCKWFRYKXEJI-UHFFFAOYSA-N 290.363 3.523 30 20 CHED CO[C@@H]1C[C@@H](/N=C\c2c(O)ccc3ccccc23)C12CCC2 840710601 KTGGGSIRJCJXBZ-HOEOUTIMSA-N 295.382 3.922 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N1CCC(CCC#N)CC1 591936934 LPZADLAGHQCPAK-YCPHGPKFSA-N 291.439 3.536 30 20 CHED C#CCNC(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 746205812 RBJLHNOVHMNYDG-MRXNPFEDSA-N 292.382 3.593 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C)c1)C2 747441184 SUVQZQXSLFACAD-OQLLNIDSSA-N 264.324 3.826 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1nc(CC)cs1 910736221 FWXZFJNXGMIVHW-NSHDSACASA-N 278.421 3.651 30 20 CHED C=CCNC(=S)N(Cc1ccc(C)cc1C)CC(C)C 843273471 GSJAYIOBIXWDDY-UHFFFAOYSA-N 290.476 3.822 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCc1ccccc1C 596273176 OPFDFQWISQOKRL-HNNXBMFYSA-N 289.444 3.817 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1c1ccc(F)cc1C 840826560 ODADAVOCTHJFHA-HNNXBMFYSA-N 292.423 3.722 30 20 CHED Cc1ccc(CN(C2CC2)[C@H](C)C#N)c(Br)c1 595709070 CLMUUPJHQCKPDU-LLVKDONJSA-N 293.208 3.634 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@H](c2ccccc2)C1 595297307 QWGJNTFSMYTLGS-ROUUACIJSA-N 262.356 3.741 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O 845971565 LMUUXSMNKQGFDQ-YNEHKIRRSA-N 263.381 3.652 30 20 CHED COc1ccc(-c2ccccc2C[C@@H](O)C(C)C)c(C#N)c1 596639685 RLPCAVLHUHIOCJ-LJQANCHMSA-N 295.382 3.793 30 20 CHED C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)Cc2ccccc21 915826501 ZUGLVWDJDIDMMK-CQSZACIVSA-N 290.366 3.512 30 20 CHED C[C@H]1CC(=NNc2cnccn2)C[C@H](c2ccccc2)C1 749857962 ITNUOPWXDYFQKL-UKRRQHHQSA-N 280.375 3.848 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1c(F)cccc1Cl 916249536 WNRPKMZCYSYWME-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CCCCC1 593954163 YRCIGNFNEPXIHH-OAHLLOKOSA-N 298.430 3.918 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1O 840788356 ZTLYRCFBPXVRPW-ZDUSSCGKSA-N 264.344 3.512 30 20 CHED C=CCCN(C)C(=O)c1oc2c(F)cccc2c1C 682426983 AYQWQJDJMIAQLR-UHFFFAOYSA-N 261.296 3.528 30 20 CHED C[C@@H]1CC(C)(C)c2cccc(NC(=O)CSCC#N)c21 928583661 BIDZOWSWQCMDQB-LLVKDONJSA-N 288.416 3.667 30 20 CHED CC#CCOC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 744988023 WOWBQJUDICPLOD-IRXDYDNUSA-N 264.324 3.510 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(O)cc1 747642846 VHODYCXHJYELFK-UHFFFAOYSA-N 280.249 3.646 30 20 CHED Cc1ccc(C#N)cc1NC(=S)N[C@H]1CCCC[C@@H]1C 746344533 TUTOIWMYXGEYPT-FZMZJTMJSA-N 287.432 3.732 30 20 CHED COc1ccc(C(C)=NN[C@H](C)c2ccccc2)c(F)c1 920385409 CHYXMYMLSQOBKW-GFCCVEGCSA-N 286.350 3.909 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(C(C)(C)O)cc1 926349787 DZKKEUVMDNGTNB-CZUORRHYSA-N 261.409 3.919 30 20 CHED N#Cc1ccc(CN(C[C@@H]2CC2(Cl)Cl)C2CC2)cc1 746650793 KAUGQCPUNKKIGN-ZDUSSCGKSA-N 295.213 3.716 30 20 CHED Cc1cc(/C=C2/C(=O)c3ccccc3[C@H]2C(C)C)nn1C 840718159 ACOXKPXXGMQKIG-BRVCPTFNSA-N 280.371 3.748 30 20 CHED C=CCC(C)(C)C(=O)OCCc1ccc2ccccc2n1 845659756 QGRWTANVBDGROI-UHFFFAOYSA-N 283.371 3.923 30 20 CHED Cc1ccc(-c2nc(C=NNC3CCCC3)co2)cc1 755688702 CXWDONSUHZMAPL-UHFFFAOYSA-N 269.348 3.516 30 20 CHED C#CCCOC(=O)[C@H](c1cccc(Cl)c1)C(C)C 750688951 KVIFROFWSDOGQS-AWEZNQCLSA-N 264.752 3.646 30 20 CHED Cc1ccsc1/C=C\C(=O)c1cc(F)ccc1O 757468721 VCPGIYCTIZBWGW-PLNGDYQASA-N 262.305 3.797 30 20 CHED C/C(=C/C(=O)Nc1nc(C)cc(C)c1C#N)C(C)(C)C 857639153 JOUQISDFHHAWTA-FLIBITNWSA-N 271.364 3.501 30 20 CHED COc1ccc(O)c(C=Nc2ccc(C)cc2F)c1 920942798 DTJVDVRVXCIHPR-UHFFFAOYSA-N 259.280 3.599 30 20 CHED CC1(C#N)CCC(=NNc2ccnc(Cl)c2)CC1 853395058 JESWLFPKZGXCAS-UHFFFAOYSA-N 262.744 3.607 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ncccc1[N+](=O)[O-] 759203609 QYFGIXYEMYZGAG-JTQLQIEISA-N 264.329 3.604 30 20 CHED C=C(Cl)CSCC(=O)Nc1cc(C)ccc1C 853782519 DPOFMLGDEWQZOJ-UHFFFAOYSA-N 269.797 3.728 30 20 CHED CSc1ccc(C(C)=NOCC(F)F)cc1F 758904855 ZTYMJQXKLMSPGA-UHFFFAOYSA-N 263.284 3.553 30 20 CHED C#CCCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 757766104 LTPXFBDGSWUIRF-UHFFFAOYSA-N 275.351 4.000 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc(Cl)c(F)c2)c1 921251180 DEZIBATZOYTQCM-UHFFFAOYSA-N 293.685 3.833 30 20 CHED COC1CCC(N(C)CCCCC2(C#N)CCC2)CC1 929654604 OKVDAKKVOLHNPA-UHFFFAOYSA-N 278.440 3.740 30 20 CHED CCO[C@@H]1CC(=NO[C@H]2CCCCO2)C12CCCCC2 755814269 LTBNBLFGNNSXNY-CABCVRRESA-N 281.396 3.645 30 20 CHED CC(Cc1ccc(C(F)(F)F)cc1)=NNc1ncccn1 751131405 VKWFHENODITRAK-UHFFFAOYSA-N 294.280 3.526 30 20 CHED C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)c(F)c1 850543322 HTAVKFQCSCNWON-ADLMAVQZSA-N 296.345 3.741 30 20 CHED CCCCCCCCN[C@@H]1CCO[C@H]1c1ccc(O)nc1 859879850 WTCYRXHHXSPNMV-WBVHZDCISA-N 292.423 3.567 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)Cc1ccsc1)OCC 851143054 BKPGTFZNWSGHJJ-JSGCOSHPSA-N 282.405 3.594 30 20 CHED CCC[C@@H](C#N)NC(=O)/C(C)=C/c1ccccc1Cl 755823754 ZUWCYKDNKFVTQV-STRFDMGBSA-N 276.767 3.552 30 20 CHED C=CCc1cc(OC)cc(CN(C)[C@H](C)C(C)C)c1O 754726603 RLOSXRIGPCUNHI-CYBMUJFWSA-N 277.408 3.606 30 20 CHED FC(F)(F)CON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853321402 NNMIQFVUIXKXOS-SFYZADRCSA-N 277.208 3.920 30 20 CHED CC(C)CCn1cccc1C=Nn1cnc2ccccc21 755610791 DCVZVMQXCQVTDZ-UHFFFAOYSA-N 280.375 3.766 30 20 CHED CON=C1CCCc2cc(SC(F)F)ccc21 750931764 AZAYEUDLCWZGHR-UHFFFAOYSA-N 257.305 3.688 30 20 CHED C#CC[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 757598130 OJCCIPDUYDMMDL-LBPRGKRZSA-N 289.787 3.896 30 20 CHED CC(C)c1cc(=O)oc2cc(OCC3(CC#N)CC3)ccc12 853642000 BZRKGHBNNZUPNS-UHFFFAOYSA-N 297.354 3.989 30 20 CHED CCOc1ccc(C=NOCc2ccc(C)cc2)cc1 852209325 OYVGTMZDQAQWNN-UHFFFAOYSA-N 269.344 3.944 30 20 CHED C=C[C@@H](OC(=O)CCCOC(C)C)c1ccccc1 851452736 WFKZVDIHQSYDTO-OAHLLOKOSA-N 262.349 3.662 30 20 CHED CCCCCCCCNC(=O)Cc1ccc(C(C)=O)cc1 755148087 USUCVQDYSRNSTA-UHFFFAOYSA-N 289.419 3.908 30 20 CHED CCNc1ccc(C#N)cc1NCc1cccc(F)c1 753136304 DWUSBLMUZKZWRZ-UHFFFAOYSA-N 269.323 3.741 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N(CCC#N)C(C)C 931327793 VIUYXNBQBFYFNF-UHFFFAOYSA-N 276.380 3.650 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1sc(CC)nc1C 935481464 QEFDZIPAPJOMBD-JTQLQIEISA-N 252.383 3.555 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 933001638 CCDXPECDRGDAQL-FRFSOERESA-N 282.387 3.660 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C(C)C)C1CCCC1 931927135 PWFSIRQGUCQXNY-UHFFFAOYSA-N 270.376 3.660 30 20 CHED CCON=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 762448223 VHGCNDSFWGAFJB-JSGCOSHPSA-N 296.411 3.579 30 20 CHED CON=Cc1csc(-c2cccc(Br)c2)n1 767490002 HRXLWFXOFRILTE-UHFFFAOYSA-N 297.177 3.553 30 20 CHED C#C[C@H](C)N(C)C(=O)CCCc1csc2ccccc12 767253399 OOQIZZCUQJSZIR-ZDUSSCGKSA-N 285.412 3.704 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2sccc2C#N)C1 864257937 NRLHYMPWGOTXEU-NSHDSACASA-N 277.393 3.664 30 20 CHED CC(=NOCC(F)(F)F)c1nc2ccccc2s1 764846701 NSAFDVLWWGMTTR-UHFFFAOYSA-N 274.267 3.599 30 20 CHED C=C(Br)COC(=O)c1ccc(F)c(Cl)c1 768085305 NMUKBKMGFQQIJS-UHFFFAOYSA-N 293.519 3.545 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ncccc2Cl)C1 768359306 CKWMSLDSTZBBPB-MNOVXSKESA-N 251.761 3.959 30 20 CHED C#CCN(C(=O)NCc1c(C)cccc1C)C1CCCCC1 767201221 DVROEIPQSCNEEP-UHFFFAOYSA-N 298.430 3.781 30 20 CHED Cc1ccc(-c2ccc(C=NNc3ncc(F)cn3)o2)cc1 760247429 OZMIOTZKKPANGV-UHFFFAOYSA-N 296.305 3.630 30 20 CHED COc1ccsc1/C=C/C(=O)c1cc(F)cc(F)c1O 764442352 OXVWMBQLQRXJSF-NSCUHMNNSA-N 296.294 3.637 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H]2CC3(CCC3)Oc3ccccc32)C1 769999665 BFHBFMZVIRQHEU-FMKPAKJESA-N 282.387 3.715 30 20 CHED CCCCCCCCc1nc(-c2ncncc2C)no1 762177379 IALIJHRCCDHJJJ-UHFFFAOYSA-N 274.368 3.738 30 20 CHED Cc1nccn1CCCON=Cc1ccc(C(C)(C)C)cc1 769558422 SAUZMWHKQXWYBZ-UHFFFAOYSA-N 299.418 3.930 30 20 CHED CC(C)CCC(=O)N(C)c1ccc(C#N)c(Cl)c1 876166430 UUGVIAPUJAFOBH-UHFFFAOYSA-N 264.756 3.611 30 20 CHED C=CCC[C@@H](C(=O)OCc1nccs1)c1ccccc1 778558941 HGIPRHDLEZDAHV-CQSZACIVSA-N 287.384 3.936 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@](C)(O)C1 775539455 MFAQEFDCDGZRPW-RDJZCZTQSA-N 283.456 3.747 30 20 CHED C#CCCCCC(=O)N1CCCCc2ccc(OC)cc21 773433504 YMGQRNOQMGTNAS-UHFFFAOYSA-N 285.387 3.558 30 20 CHED N#Cc1ccc(OCc2ccc3c(c2)COC3)c(Cl)c1 777905453 JHMNRWDVOKUEOG-UHFFFAOYSA-N 285.730 3.821 30 20 CHED CS[C@H](C)CCC(=O)N(CCC#N)c1ccc(C)cc1 773293025 ULIIAYUFUCWWRR-CQSZACIVSA-N 290.432 3.773 30 20 CHED COc1ccc(C(C)(C)CNc2cccc(CC#N)n2)cc1 1116662401 WQKNRVIRNPCSEB-UHFFFAOYSA-N 295.386 3.546 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 772463294 SDRVAEQJOGDFCW-SSDOTTSWSA-N 289.137 3.618 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)c2cnccc2C)cc1 770746787 OPPLYTPMYINCOS-INIZCTEOSA-N 294.398 3.643 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cc(F)cc(Cl)c1 773163341 XDBVVNIVKCOURO-RZNTYIFUSA-N 298.704 3.843 30 20 CHED CCCCCCCCNC(=O)N1CCC(C)(OC)CC1 774765813 WZICDEASDPOZNN-UHFFFAOYSA-N 284.444 3.557 30 20 CHED Cc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)c(O)c1 877598479 GKMLYDPZFFLVGJ-CQSZACIVSA-N 280.371 3.765 30 20 CHED CC(CCC1CCCCC1)=NOC1CCOCC1 774459450 RYIDCIXIWYJXPI-UHFFFAOYSA-N 253.386 3.918 30 20 CHED CC(C)C#CC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1118729977 UVRKCFDJJPQFPV-PKOBYXMFSA-N 281.399 3.574 30 20 CHED Cc1ncc(CCNc2ccc3cc(C#N)ccc3n2)s1 771668577 BFGRKMVJQGPSMP-UHFFFAOYSA-N 294.383 3.526 30 20 CHED CCc1cnccc1C(=O)/C=C/c1c(OC)cccc1OC 776192264 NJXRCHHLOPNYLG-CMDGGOBGSA-N 297.354 3.557 30 20 CHED C#CCOc1ccc(NC(=O)Nc2cc(C)ccc2C)cc1 776298983 GSLJUYGGFASESX-UHFFFAOYSA-N 294.354 3.959 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccc(Cl)cn1 778210754 DHGDOCVKNRUPAC-UHFFFAOYSA-N 288.753 3.510 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1cccc(F)c1F 776259992 UNHMTPNBQXIXJD-UHFFFAOYSA-N 298.296 3.744 30 20 CHED CCC[C@@H](OC(=O)c1c[nH]c(C#N)c1)c1ccccc1 779203617 XHFYKLBUSBYEQZ-OAHLLOKOSA-N 268.316 3.585 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C/c1ccc(Cl)cc1 776361688 STZWHWKEMZLBSN-VMPITWQZSA-N 277.751 3.836 30 20 CHED C=CCCCC(=O)OCCCc1cccc(F)c1 778815858 AWCJZVBJBYGEFT-UHFFFAOYSA-N 250.313 3.658 30 20 CHED C=C1CCC(C(=O)O[C@H](c2ccccn2)C(F)(F)F)CC1 889654902 DKVRMBOORXUOKF-CYBMUJFWSA-N 299.292 3.975 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1cc2ccccc2o1 785752165 BPHHVMYZWHKKOZ-QGZVFWFLSA-N 286.327 3.761 30 20 CHED C=CCCC[C@@H](NCCc1ccn(C)n1)c1ccccc1 883216723 VHFBMTZTKDJUMB-GOSISDBHSA-N 283.419 3.650 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1cnnc2ccccc12 783845707 IGXZYDXIJFBOEQ-QWHCGFSZSA-N 268.364 3.854 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)C=C1CCCC1 780037815 VWCHKFWPPGTCJS-UHFFFAOYSA-N 275.735 3.755 30 20 CHED C#CCN(C(=O)/C=C(\C)Cl)[C@@H]1CCCc2ccccc21 887230408 NLVKKTHJRUYIJI-CJTWTEFWSA-N 287.790 3.668 30 20 CHED Cn1cnc2cc(/C=C\C(=O)c3ccnc(Cl)c3)ccc21 782192647 AFJQIHRZLKHWFW-HYXAFXHYSA-N 297.745 3.518 30 20 CHED Cc1cccc(C=NNC2CCCCC2)c1OC(F)F 786041835 CZIQTEZRCFGTEF-UHFFFAOYSA-N 282.334 3.853 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)O[C@H](CC#N)c1ccco1 1123371174 ZLUNIGZTQAPXAE-GXSJLCMTSA-N 289.253 3.756 30 20 CHED Cc1ccc(C)c(OCCCOC(=O)CC(C)(C)C#N)c1 785097741 WGPRHNSHYIODDE-UHFFFAOYSA-N 289.375 3.555 30 20 CHED FC(F)(F)c1ccccc1ON=C[C@H]1CCSC1 782254508 LMQXHMUVQQGTBH-SECBINFHSA-N 275.295 3.823 30 20 CHED N#CCC1CCN(Cn2c(=S)oc3ccccc32)CC1 781572545 SIHJXRYDKQUZIB-UHFFFAOYSA-N 287.388 3.547 30 20 CHED C#CCC1(C(=O)NC[C@H](C)C(C)(C)C)CCCCC1 788217634 IFARCLKOCGAGRQ-AWEZNQCLSA-N 263.425 3.759 30 20 CHED CCCCCCCCNC(=O)Cc1ccc(Cl)cn1 786459841 RZNLYPMLKQRTPM-UHFFFAOYSA-N 282.815 3.754 30 20 CHED CC(=NN[C@@H](CO)c1ccccc1)C1CCC(F)(F)CC1 788459291 FPQRAGFATIUGSW-HNNXBMFYSA-N 296.361 3.511 30 20 CHED C[C@H](NCc1cccc2c1NCCC2)c1cccc(C#N)c1 894308393 QUXJNYCIYCJKNZ-AWEZNQCLSA-N 291.398 3.767 30 20 CHED CC(CSC(C)(C)C)=NNc1ccnc(F)c1 781124464 GIPJJXQWWKDUFS-UHFFFAOYSA-N 255.362 3.540 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(C#N)cn2)c2ccccc21 783294169 MRXZBBFLXDYJKS-FZKQIMNGSA-N 277.371 3.681 30 20 CHED C=CC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccncc1 894273602 PMHGHHQIVILULN-MRXNPFEDSA-N 298.386 3.511 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cc(Cl)ccc1[N+](=O)[O-] 782299029 FDMBWJYITYOSOK-CYBMUJFWSA-N 295.770 3.750 30 20 CHED CC(C)C(CCc1ccc(Cl)cc1)=NN[C@H]1CCOC1 788440080 PRLMDTPGEFFPTN-HNNXBMFYSA-N 294.826 3.663 30 20 CHED C[C@H]1CSC(SCc2ccc(C#N)cc2Cl)=N1 783985781 KBGBVJKPFLSGND-QMMMGPOBSA-N 282.821 3.936 30 20 CHED COc1ccc(NN=C(C)c2ccc(OC(C)C)cc2)nc1 780275564 ZUEBHYNLSMOIFJ-UHFFFAOYSA-N 299.374 3.714 30 20 CHED C#CC[C@H](NCc1scnc1C1CC1)c1ccccc1 785502421 GWQDGMURKDLKFN-HNNXBMFYSA-N 282.412 3.875 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc2ccccc2c1O 794548079 OYBAOKIZHMQQOG-UHFFFAOYSA-N 296.292 3.811 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(SC)s2)cn1 798230618 CIVVMOJOGBWEHX-XQRVVYSFSA-N 278.402 3.583 30 20 CHED CCC[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccccn1 799533286 ZIKUJTGEWZDCCX-CQSZACIVSA-N 288.391 3.838 30 20 CHED O=C(/C=C\c1ccsc1Cl)c1cncs1 790219806 NOJWLYUQMHYIHP-UPHRSURJSA-N 255.751 3.754 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1C 794721277 XQTCSSXWQMORTI-WAYWQWQTSA-N 255.292 3.734 30 20 CHED CC(=NNc1ccc(C)nn1)c1cccc(CC(C)C)c1 794909921 UNSQPSVPKKOVSQ-UHFFFAOYSA-N 282.391 3.820 30 20 CHED CCCOc1ccc(N[C@H]2CC[C@H](C#N)C2)c(C)c1 799724066 CQJYAYPODNMPLU-KBPBESRZSA-N 258.365 3.888 30 20 CHED Fc1cccc(-c2ccc(C=NNc3cncnc3)s2)c1 794977034 TXZFOWSJNMPLMH-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(C)C 799045888 WDWUBPDTEDHGQF-BXUZGUMPSA-N 297.320 3.583 30 20 CHED C#C[C@@H](CCC)NC(=O)CCCc1ccc(Cl)cc1 791197269 GCHSDAPPJZZYCS-HNNXBMFYSA-N 277.795 3.581 30 20 CHED O=C(O)c1cccc(NN=C2CCC[C@@H]2c2ccccn2)c1 794854624 JUNSWURADJGMAR-CQSZACIVSA-N 295.342 3.515 30 20 CHED Cc1coc(C)c1C(=O)O[C@@H](C#N)C1CCCCC1 792779394 ZJVGBFYZLQLJTC-ZDUSSCGKSA-N 261.321 3.526 30 20 CHED Cn1ncc2c1CC/C(=C/c1ccc(C(F)F)cc1)C2=O 794938491 PWOXUAZDRCBBDG-WQLSENKSSA-N 288.297 3.570 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)c1cccc(F)c1F 1168733588 LOKYOOPCJCLBKK-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1cc(F)ccc1F 1319301559 WMZZXYLNZHHKCZ-VIFPVBQESA-N 281.331 3.596 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CC[C@@H]2CCCC[C@H]2C1 1317826195 TUWHLOWQCVEDSM-HYENKHQPSA-N 294.398 3.610 30 20 CHED Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1C#N)C2 1317741611 OJXXRQXVXDJANK-INIZCTEOSA-N 294.379 3.522 30 20 CHED C#C[C@H](C)N[C@@H](CC)c1ccc(Br)cc1 166490741 GSKOCFYMGUNRDO-GWCFXTLKSA-N 266.182 3.512 30 20 CHED C[C@H](CC#N)N(C)CC1CCC(C(F)(F)F)CC1 185509659 GZHZZTWNCZNIEQ-VOMCLLRMSA-N 262.319 3.589 30 20 CHED C=CC[C@@H](C)C(C)=NNc1ccc(C(C)(C)C)nn1 1318626357 PZSMVCGQLUWXAB-LLVKDONJSA-N 260.385 3.774 30 20 CHED C[C@H](NCCCC#N)c1ccc(Br)cc1F 275673629 HLROLYBWDJAZOW-VIFPVBQESA-N 285.160 3.543 30 20 CHED N#Cc1c(F)cccc1N1CCSC2(CCCCC2)C1 301520063 FGHYWQIOBTUGBB-UHFFFAOYSA-N 290.407 3.953 30 20 CHED C#C[C@@H](NC(=O)CSc1ccc(Cl)cc1)C(C)(C)C 702239171 KDEIRIUKFQAMHE-CYBMUJFWSA-N 295.835 3.596 30 20 CHED CN(CCCCC(C)(C)C#N)C1Cc2ccccc2C1 277753840 PWLZQNWADMOUIF-UHFFFAOYSA-N 270.420 3.806 30 20 CHED C=CCCCCNC(=O)c1cc2cc(C)ccc2[nH]1 548436929 RSGFNRBMLGERKU-UHFFFAOYSA-N 256.349 3.562 30 20 CHED Cc1nnc(-c2cccc(Nc3ccc(C#N)cc3)c2)o1 1175993488 HUGMUOHBZXPYLC-UHFFFAOYSA-N 276.299 3.660 30 20 CHED C=CC[C@H](c1ccccc1)c1nc(C(C)(C)OC)no1 1329353490 DIQAQWRIQBZDIB-CYBMUJFWSA-N 272.348 3.659 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc(N2CCCC2)c1 1336759750 OQHPGVQHPUMYSN-QGZVFWFLSA-N 298.430 3.858 30 20 CHED CCC(CC)N(CC)c1nc(C#N)c(Cl)s1 1186612142 MGCJSBCZJAPKSC-UHFFFAOYSA-N 257.790 3.683 30 20 CHED C=CCn1cnnc1Sc1nc2cccc(C)c2s1 1256388120 LSXDVYQPQPUADR-UHFFFAOYSA-N 288.401 3.533 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1coc(SC)c1 1337549879 FPWQCNQERWBMBQ-LBPRGKRZSA-N 265.378 3.572 30 20 CHED C=C(C)CCC(=O)Nc1n[nH]c(-c2ccc(C)o2)c1C 1339046052 PULVAFKDTXAJDO-UHFFFAOYSA-N 273.336 3.581 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ncc(CC)s1 1263639504 FMGDDLYNAAZLNY-NSHDSACASA-N 279.409 3.668 30 20 CHED C[C@@H]1CCC[C@@H](OCc2nnc(-c3ccc(C#N)cc3)o2)C1 1341531859 LVOBHIKKDOGANY-IUODEOHRSA-N 297.358 3.704 30 20 CHED CCN(C(=O)Nc1sccc1C#N)[C@H](C)C(C)C 1262307166 FAJSLAYCXCDZMV-SNVBAGLBSA-N 265.382 3.518 30 20 CHED CC(C)c1ccc(CCNC(=O)c2ccsc2C#N)cc1 1352288611 SGHLFTUTKAWEAN-UHFFFAOYSA-N 298.411 3.716 30 20 CHED CC(C)c1cccc(C(=O)NCc2ccc(C#N)cc2F)c1 1435074631 RBBTUGMUQBUVBY-UHFFFAOYSA-N 296.345 3.751 30 20 CHED N#CC[C@H](C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1519829634 SPOIIJPTRQACFS-DKIMLUQUSA-N 296.414 3.626 30 20 CHED N#Cc1ccc(CCSc2ccccc2O)cc1 1458951548 XUWXZTRHSPXTIL-UHFFFAOYSA-N 255.342 3.599 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 1522031802 GHQHAVQZUGAERN-HIFRSBDPSA-N 256.349 3.713 30 20 CHED C=CC[C@@H](c1ccccc1)c1nnc(N2CCCC2)n1CC 1521138440 IWHICAFPMYZESZ-INIZCTEOSA-N 296.418 3.606 30 20 CHED Cc1cccc2oc(C(=O)Nc3cccc(C#N)c3)cc12 1530021706 PKWFVGLMCSRZQT-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C[C@H]1CC[C@H](OC(=O)c2cccc(SCC#N)c2)C1 1535807829 DNILJKCPRQYPDZ-AAEUAGOBSA-N 275.373 3.648 30 20 CHED C[C@@]1(Cc2ccc(F)cc2)CCCN1c1ccnc(C#N)c1 1612510037 RLQQNMIZWPETFD-SFHVURJKSA-N 295.361 3.694 30 20 CHED CCCCCCCNCc1cc(OC)cc(OC)c1 106291715 JMIDQQVTEVIFAC-UHFFFAOYSA-N 265.397 3.764 30 20 CHED C[C@H](NCc1cccc(F)c1)c1ccc(C#N)cc1 20473426 MCPMGTGHHCQBEY-LBPRGKRZSA-N 254.308 3.548 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc(Cl)cc2)n1 22795960 FNTJHAHHWUULLR-UHFFFAOYSA-N 271.751 3.836 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1csc(C#N)c1 1632805851 JPUHADANUJZNBM-UHFFFAOYSA-N 285.372 3.612 30 20 CHED C=C(Cl)CSc1ccc(-c2ccco2)nn1 1641243644 XIPCGKWFHNGUND-UHFFFAOYSA-N 252.726 3.581 30 20 CHED C[C@H](CNc1nccc(Oc2cccc(C#N)c2)n1)C1CC1 1642137888 VLPNQONLZUWECN-GFCCVEGCSA-N 294.358 3.599 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc(C(=O)O)cc1OC 1588777995 OPPYYOPOAXHDDY-CYBMUJFWSA-N 277.364 3.940 30 20 CHED CSc1cc(C)c(C(=O)Nc2scc(C)c2C#N)o1 1587034161 HVZQMXQNTRQDSZ-UHFFFAOYSA-N 292.385 3.804 30 20 CHED Cc1ccccc1C[C@@H]1CCCN1C[C@@H](C)CCC#N 1658987253 YUDGJNOGJUFDTE-YJBOKZPZSA-N 270.420 3.942 30 20 CHED Cc1cc(CN(C)C2CCC(C)CC2)ccc1C#N 1621156704 JQZWPYDLQXGOOD-UHFFFAOYSA-N 256.393 3.877 30 20 CHED C=CC[C@@H](N[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)O 1588744600 AEVWQTPYBCZZAN-ZIAGYGMSSA-N 281.783 3.656 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c(C#N)c1 1595726546 MJTXTPBGHVCMNM-OCCSQVGLSA-N 288.366 3.644 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1597686429 JRCJJIIPYYLJGR-MRXNPFEDSA-N 282.318 3.578 30 20 CHED CCCC[C@H](S[C@H](C#N)C1CCCCC1)C(=O)O 1595652652 WBUUHKURDPKYPU-QWHCGFSZSA-N 269.410 3.835 30 20 CHED C=C(CN[C@@H]1CCC[C@H](OCC)C1)c1ccccc1 1661311017 QIHHHMNTNCAHNL-SJORKVTESA-N 259.393 3.637 30 20 CHED CCSc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1596469781 OUSVVNVIUWNTSQ-UHFFFAOYSA-N 296.395 3.600 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1csc(C)c1 1776037290 UWFLUUDLNPMMMK-UHFFFAOYSA-N 274.345 3.591 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@@H]2CCC[C@H]2C)CC1 1776169574 UEEBHTKQRUIXEL-CABCVRRESA-N 279.424 3.556 30 20 CHED C=CCc1ccccc1CN[C@H](CCC(C)(C)C)C(=O)O 1776188496 WJHYLZHFVZGEKM-MRXNPFEDSA-N 289.419 3.784 30 20 CHED C=CCCCCCN(CC1CC1)[C@](C)(CC)C(=O)O 1776173014 FHBJCENIYOXCEG-MRXNPFEDSA-N 267.413 3.698 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(C3CC3)cc2)cc1 1776013251 QITZOVFFIFATDK-UHFFFAOYSA-N 280.327 3.708 30 20 CHED CC(C)(C)ON=Cc1c(F)ccc2sc(C(=O)O)cc12 1776051889 NKRUVYJJFFXTJU-UHFFFAOYSA-N 295.335 3.888 30 20 CHED CCOc1cccc(C=NNc2cccc(C(=O)O)c2C)c1 1776086551 ASGJROHXQIGOAD-UHFFFAOYSA-N 298.342 3.538 30 20 CHED Cc1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)c(F)c1 1777433899 YVOLKZWJUSCGFZ-HYXAFXHYSA-N 290.315 3.790 30 20 CHED c1nc(NN=C2CCCCCC2)c2ccsc2n1 19329908 FXBOEFZKBGEVCZ-UHFFFAOYSA-N 260.366 3.813 30 20 CHED C#CCCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 150732730 OETSASZMOSHPER-UHFFFAOYSA-N 298.342 3.748 30 20 CHED N#Cc1ccc(F)cc1CSCc1nccs1 161823429 IZBITCSQIPWLFN-UHFFFAOYSA-N 264.350 3.587 30 20 CHED CC[C@](C)(C#N)NC(=O)c1sc(-c2ccccc2)nc1C 162096670 LUFGPWGHJSUMHI-MRXNPFEDSA-N 299.399 3.541 30 20 CHED CCCCN(C)Cc1cccc(OCCCC#N)c1 158155342 JYJOFURNOVOLII-UHFFFAOYSA-N 260.381 3.601 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c1 160315156 LLCRWLZOHJCBSN-GJZGRUSLSA-N 281.380 3.780 30 20 CHED C=CCC[C@@H](CC)NCc1nccn1CCc1ccccc1 164292923 ROCOHWSZJFCBJD-GOSISDBHSA-N 297.446 3.960 30 20 CHED N#CCC[C@H](NC(=O)/C=C/c1cccs1)c1ccccc1 153681530 UZZXQQRKXDSZME-OFAQMXQXSA-N 296.395 3.923 30 20 CHED CCCn1ccc2ccc(NC(=O)N[C@H](CC)CC#N)cc21 156082937 CUWBVUKXLYJDPV-CQSZACIVSA-N 298.390 3.865 30 20 CHED Cc1noc(C)c1[C@H](C)CN[C@H](C)c1ccc(C#N)cc1 155140566 QTXVOKXOPVPDKU-VXGBXAGGSA-N 283.375 3.617 30 20 CHED CCC1(C)CCN(Cc2ccc(C#N)c(C)c2)CC1 1204908603 OPSSFWXNAURPQK-UHFFFAOYSA-N 256.393 3.879 30 20 CHED CC[C@H](C#N)NC(=O)CCCSc1ccc(Cl)cc1 102350149 RUTTZOLLBDODRZ-GFCCVEGCSA-N 296.823 3.631 30 20 CHED CSCCCCCCNc1ccc([N+](=O)[O-])cc1C#N 230097167 PCSQPVWDSBXWIH-UHFFFAOYSA-N 293.392 3.802 30 20 CHED CCC[C@@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 233297511 MRQKGIMWXJVUMQ-MRXNPFEDSA-N 272.392 3.721 30 20 CHED CCc1ccccc1NCc1cc(C#N)ccc1OC 129245669 UUTUZAJBILJVPK-UHFFFAOYSA-N 266.344 3.741 30 20 CHED C=CCCCC(=O)Nc1sc(C)cc1C(=O)OCC 175650832 QHPLINIRWNYICK-UHFFFAOYSA-N 281.377 3.528 30 20 CHED CCCC1CCN(Cc2cc(C#N)ccc2F)CC1 50893748 NMDOPQMQGXUJBC-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccnc1Cl 73287468 XKMOSWJRKIPGGI-UHFFFAOYSA-N 286.762 3.563 30 20 CHED C=CCN(CCc1scnc1C)Cc1ccccc1 74348888 FWLPGDJMDZDWJI-UHFFFAOYSA-N 272.417 3.682 30 20 CHED N#CCC1(CN(Cc2ccccc2)CC2CCOCC2)CC1 602787955 ZWLDEQJHLVBFPD-UHFFFAOYSA-N 298.430 3.609 30 20 CHED C=CCOCCN[C@H](CC(C)(C)C)c1ccccc1 311711762 JZCXEJGKVJPGMR-MRXNPFEDSA-N 261.409 3.956 30 20 CHED Cc1cc(CNCC2(C#N)CCC2)sc1Br 418135674 BIMVJAPUFIGZMB-UHFFFAOYSA-N 299.237 3.603 30 20 CHED N#CCCC1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 335384795 MSQZYPPPOBJCQZ-UHFFFAOYSA-N 294.757 3.635 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C#N)ccc1OC 448445146 GIAWBGACJWBAPL-UHFFFAOYSA-N 292.382 3.755 30 20 CHED CCN(Cc1ccc(CC#N)cc1)c1ccccc1F 399112145 KZKLETHHKMSZLY-UHFFFAOYSA-N 268.335 3.918 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)c2ccccc21 399181210 LQIOKZRUSACFRV-CQSZACIVSA-N 262.356 3.876 30 20 CHED CCOc1ccccc1/C=C1\Cc2c(O)cccc2C1=O 11335931 WOAFEOWKXYUIBD-JLHYYAGUSA-N 280.323 3.613 30 20 CHED N#Cc1ccc(OCCOc2ccc(C#N)cc2Cl)cc1 18963598 GVFKILUGMRUKON-UHFFFAOYSA-N 298.729 3.541 30 20 CHED COc1ccc(C)cc1CN[C@H](C)c1ccc(C#N)cc1 35256418 KEQDZQHTSPLIHG-CQSZACIVSA-N 280.371 3.726 30 20 CHED Cc1cc(C)c(C#N)c(N(C)Cc2cccc(Cl)c2)n1 42293785 BQBBUVQKGHHVBN-UHFFFAOYSA-N 285.778 3.860 30 20 CHED CN(Cc1ccccc1C(F)(F)F)c1ncccc1C#N 43537199 XDKXLQXESQEOIF-UHFFFAOYSA-N 291.276 3.608 30 20 CHED N#Cc1c(Cl)cccc1NCc1ccccc1F 48935816 RKZKMOCPGMCNAW-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@H](NCCCOc1ccccc1)c1ccc(C#N)cc1 52091983 PYYVLTNUQSRJFE-HNNXBMFYSA-N 280.371 3.678 30 20 CHED CC[C@H](CC#N)NCc1cc(Cl)ccc1OC(F)F 54183582 MYKIZTQCKNVVOR-LLVKDONJSA-N 288.725 3.723 30 20 CHED N#CC1CCN(c2ccnc3cc(Cl)ccc23)CC1 57856234 XGPUBCRFJGBLPH-UHFFFAOYSA-N 271.751 3.628 30 20 CHED C=CCN(C(=O)c1ccccc1OC)c1ccccc1 60525354 LUKJBXNLPHPBSV-UHFFFAOYSA-N 267.328 3.528 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCCc3sccc32)n1 61364198 BHUCUHGZGSUHKS-ZDUSSCGKSA-N 269.373 3.813 30 20 CHED N#CCCCCN(Cc1ccco1)Cc1ccccc1O 70975423 RWEJGZQGFCQLST-UHFFFAOYSA-N 284.359 3.681 30 20 CHED C=CCCCOc1ccc2c(c1)OC(C)(C)CC2=O 71275570 MLBFRYVISXQAGY-UHFFFAOYSA-N 260.333 3.775 30 20 CHED C#Cc1cccc(N(C)C(=O)c2c(C)cccc2C)c1 74729909 BSYRPUSYIAOHPY-UHFFFAOYSA-N 263.340 3.561 30 20 CHED CCCC(=O)Nc1scc(C(C)(C)C)c1C#N 75290908 LZDHSWKGFGRROK-UHFFFAOYSA-N 250.367 3.656 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)CCc1ccccc1 79081542 HLOKWTFVLDHZLZ-OAHLLOKOSA-N 274.408 3.615 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1cc(C#N)cs1 84112563 OWXCLZYFUJXPPI-JTQLQIEISA-N 264.394 3.564 30 20 CHED C[C@@H](c1ccco1)N(Cc1cccc(C#N)c1)C1CC1 86233386 RDDVPVYGDRPCBS-ZDUSSCGKSA-N 266.344 3.877 30 20 CHED N#Cc1ccc(N[C@H]2CCCSC2)cc1C(F)(F)F 88191364 GEZDJLKGOWLSON-NSHDSACASA-N 286.322 3.885 30 20 CHED CCN(CC)CCSc1ccc(C#N)cc1Cl 88734138 QSMGEYRGYGGVHG-UHFFFAOYSA-N 268.813 3.646 30 20 CHED Cn1cc(/C=C2/Cc3ccccc3C2=O)c(C(C)(C)C)n1 93901716 YWXDWNSFQHYVJT-RAXLEYEMSA-N 280.371 3.540 30 20 CHED CCCN(CC#N)C(=O)C[C@H](c1ccccc1)C(C)C 103073230 CZXKLSPNEQLEJW-INIZCTEOSA-N 272.392 3.578 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@H](c1ccccc1)C(C)C 103078683 VXUKSVOKDZQOBQ-DOTOQJQBSA-N 272.392 3.625 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(Cl)ccc1OC 104971327 ASUOXYCWNYNOJD-UHFFFAOYSA-N 282.771 3.779 30 20 CHED CC(C)c1nc(CSCc2cc(C#N)ccc2F)no1 108419028 PBMNOMWBHAAPBG-UHFFFAOYSA-N 291.351 3.637 30 20 CHED C=CCN1C(=O)/C(=C/c2cccc(C)c2C)SC1=S 108658559 SETBLFBWBMQCKM-LCYFTJDESA-N 289.425 3.691 30 20 CHED CCOCc1ccccc1CNc1ccc(F)cc1C#N 111026587 IUZNFTAHYJMHFI-UHFFFAOYSA-N 284.334 3.846 30 20 CHED CC(C)(C)CN(CCC#N)C[C@H](O)c1ccc(Cl)cc1 111250617 ILEFSQZEIICQBJ-HNNXBMFYSA-N 294.826 3.635 30 20 CHED CCc1nc(C)c([C@@H](C)N(C)CCCCC#N)s1 122077000 FAFQRGMPYFXLPR-GFCCVEGCSA-N 265.426 3.701 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1OCC1CC1 124046677 VMQDCFTXZYNFME-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C1CCC1 128412091 ZQCQMSKKWGZWRF-XJKSGUPXSA-N 285.391 3.519 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc2c1CCCN2 129490414 UBCUKUHGOALIKB-UHFFFAOYSA-N 286.419 3.863 30 20 CHED N#Cc1ncccc1N[C@H]1CCCc2sccc21 129992962 HGAVAOWXTKXZGT-NSHDSACASA-N 255.346 3.504 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 132549912 RTCNBZACZGSSQK-GJZGRUSLSA-N 275.779 3.644 30 20 CHED N#Cc1ccc(CN[C@H]2CCSc3ccc(F)cc32)o1 135136473 DMURAJNKMVLXEC-AWEZNQCLSA-N 288.347 3.617 30 20 CHED C=C(C)CN(CC)C(=O)CC[C@@H](C)c1ccccc1 137095373 SOHKONZPEZEZLY-OAHLLOKOSA-N 259.393 3.995 30 20 CHED CCN(C(=O)c1cc2c(s1)CCC2)c1ccc(C#N)cc1 151950142 YIQQSGCMNMXTSS-UHFFFAOYSA-N 296.395 3.775 30 20 CHED CCC[C@@H](CC)NC(=O)c1ccc(C#N)c(Cl)c1 155548715 AKJPMDXYNUHUFX-GFCCVEGCSA-N 264.756 3.520 30 20 CHED CCc1ccc(COc2cccc(F)c2C#N)cc1 155622464 IUUSETSJVWCYMW-UHFFFAOYSA-N 255.292 3.839 30 20 CHED CC#CCCSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 155679592 ZPLZWLNIAGNKJY-JSGCOSHPSA-N 277.437 3.843 30 20 CHED Cc1cc(F)ccc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 155908556 CMYLQTDVXQICPK-ZDUSSCGKSA-N 293.301 3.501 30 20 CHED C=C(C)CNC(=O)N[C@@H](CC)c1ccccc1OC(F)F 156307085 KWOCUBXQYYEQAC-LBPRGKRZSA-N 298.333 3.614 30 20 CHED CC(C)C[C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 160880378 GPJFBUWQUFHSRL-GOEBONIOSA-N 287.407 3.765 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc2c(s1)CCCC2 163522070 UCCPQFRVKOJICD-ZDUSSCGKSA-N 279.449 3.870 30 20 CHED N#CCC[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 163547101 FPJXETBKEBDCQJ-HNNXBMFYSA-N 297.333 3.992 30 20 CHED Cc1ccccc1C1(C(=O)Oc2ccc(C#N)cc2)CC1 170699781 AITGMXIFXHJWQJ-UHFFFAOYSA-N 277.323 3.504 30 20 CHED CCn1cc(C(=O)N(CC#N)C2CCCC2)c2ccccc21 172401354 FDAJSEQRBYIVEO-UHFFFAOYSA-N 295.386 3.570 30 20 CHED N#Cc1ccccc1SCc1cn2ccccc2c1C#N 173708884 JMQURAYXJZTSGJ-UHFFFAOYSA-N 289.363 3.975 30 20 CHED CCO[C@@H]1C[C@H](/N=C/c2ccccc2O)C12CCCC2 173992571 GQDCXPORTPEZTD-KPIYYBAOSA-N 273.376 3.549 30 20 CHED C[C@@H](OC(=O)C[C@H]1C=CCC1)c1ccc(C#N)cc1 175783755 FBMCAHXMHLSBTB-OLZOCXBDSA-N 255.317 3.519 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 177202406 RMGRNZQGPDRSCN-CXAGYDPISA-N 298.411 3.582 30 20 CHED N#Cc1csc(CNCCc2cccc(Cl)c2)c1 177681138 WMDZEJKPZAZQHI-UHFFFAOYSA-N 276.792 3.605 30 20 CHED C#CCCCCC(=O)NCCc1ccc(Cl)cc1Cl 179628712 UXMGFPHAQCGKDX-UHFFFAOYSA-N 298.213 3.846 30 20 CHED C#CCCCCC(=O)Nc1ccc(OCC(F)(F)F)cc1 179672297 KQXUPVCDKIRBJF-UHFFFAOYSA-N 299.292 3.760 30 20 CHED C[C@@H]1C[C@H]1[C@H](NCCCC#N)c1ccc(Cl)cc1 180018705 LUZCTYWFSTXKEO-KCPJHIHWSA-N 262.784 3.930 30 20 CHED C[C@@H](NCC1(c2ccccc2)CC1)c1cccc(C#N)c1 181448284 RTHITWNUKKLKAO-OAHLLOKOSA-N 276.383 3.941 30 20 CHED CC[C@@H](OC(=O)C1(C#N)CCCC1)c1ccccc1 182036886 QNYQVURUZZWGSN-CQSZACIVSA-N 257.333 3.765 30 20 CHED N#Cc1ccsc1C(=O)NCCC1=CCCCCC1 184139201 GGAXDNYPNHWVIB-UHFFFAOYSA-N 274.389 3.630 30 20 CHED Cc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1N(C)C 185739911 MLPRAZWPEWPPCQ-UONOGXRCSA-N 257.381 3.555 30 20 CHED CCSCc1ccnc(N[C@H]2CCC[C@H](C#N)C2)c1 185873016 PAVLMTDLEWJWJJ-JSGCOSHPSA-N 275.421 3.829 30 20 CHED C=CC[C@@H](C(=O)N1CCCC[C@@H]1C)c1ccccc1 186040929 COGHRZVZMUOTSF-GOEBONIOSA-N 257.377 3.747 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)Oc2ccccc2C)CCC1 188279712 DYOCXQYQXGIMOA-OAHLLOKOSA-N 287.403 3.625 30 20 CHED C=CCC1(C(=O)N[C@H]2[C@H]3CCc4ccccc4[C@@H]32)CCC1 189607918 QEUXZVDLENEVGL-ULQDDVLXSA-N 281.399 3.577 30 20 CHED C#CCCCCC(=O)NCc1ccc(OCCC)cc1C 190082965 NSMDLFNLSAUODD-UHFFFAOYSA-N 287.403 3.594 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1OC(C)C 190869588 UOGRUZGMIMBVIT-KRWDZBQOSA-N 275.392 3.692 30 20 CHED CCSc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 190949028 LWLAHJKSUFKLPU-CYBMUJFWSA-N 299.443 3.860 30 20 CHED N#Cc1cccc(C#N)c1NCc1nc2ccccc2s1 195176587 JEKPGXATZWSBAC-UHFFFAOYSA-N 290.351 3.652 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]3CCCC[C@@H]32)c1F 223517600 SGFIPONUHRUZBK-BBRMVZONSA-N 272.367 3.852 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 247052837 OPLQYMBNLUFCFG-BPNCWPANSA-N 263.768 3.524 30 20 CHED C[C@H]1CC[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C[C@H]1C 248586184 GFGMLHGCACOEQG-KLZNWCGWSA-N 286.419 3.892 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccnc2C)cc1[N+](=O)[O-] 255215769 PZINIFIXDQCIPX-FPLPWBNLSA-N 282.299 3.503 30 20 CHED Cn1nccc1/C=C\C(=O)c1cc(Cl)ccc1Cl 255509184 OYBKAPIXKCTSHB-HYXAFXHYSA-N 281.142 3.623 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1cccs1 255543165 YYQYMUWRADOWNN-SREVYHEPSA-N 250.269 3.922 30 20 CHED CC[C@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 264537779 MAEZCEBJSITMRO-NEPJUHHUSA-N 291.420 3.858 30 20 CHED C#CC[C@@H](NCc1cccc(OCC)c1O)c1ccccc1 270187147 KFVQENDNUSXIEF-QGZVFWFLSA-N 295.382 3.645 30 20 CHED C[C@H](NCCCC#N)c1ccc(N2CCCCC2)cc1 273179241 DNFXYWIJAZUMLV-HNNXBMFYSA-N 271.408 3.631 30 20 CHED COc1ccnc(CS[C@H](C)c2cccc(C#N)c2)c1 276149299 DQWFZICUJIWPJV-GFCCVEGCSA-N 284.384 3.956 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1C(F)(F)F 276285695 IZACLUIUKSTALV-UHFFFAOYSA-N 272.270 3.745 30 20 CHED Cc1cccc(CC(=O)NC2(C#N)CCCCC2)c1Cl 277094998 GSDUPJCQXLLOPT-UHFFFAOYSA-N 290.794 3.534 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 278189479 DPRZQQLMUPAFDX-CQSZACIVSA-N 290.794 3.943 30 20 CHED CC(C)(C#N)CC(=O)N1CCCC[C@H]1Cc1ccccc1 278319017 VDWIIOHUHQGBMU-INIZCTEOSA-N 284.403 3.550 30 20 CHED COC(=O)[C@@H](Cc1ccc(C)cc1)SCCCCC#N 279989458 QUUYOIZEUTXYFF-OAHLLOKOSA-N 291.416 3.506 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(C)(C)C#N)cc1 280405622 VWUCGCBRBGFFAL-UHFFFAOYSA-N 270.376 3.526 30 20 CHED CC1=C(C)CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 281063775 KFBLCCCHURLWEE-QGZVFWFLSA-N 297.402 3.783 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(OC)c(OC)c1 281582238 LCWQDDGROZDCHR-JSGCOSHPSA-N 263.381 3.709 30 20 CHED C=CCOc1ccccc1CNC(=O)c1occc1C(C)C 284156768 XPTMXUHMTSTKIZ-UHFFFAOYSA-N 299.370 3.898 30 20 CHED N#CCCCC(=O)Nc1ccc(SC(F)F)cc1 291061074 AYYFDIUXBUROMC-UHFFFAOYSA-N 270.304 3.634 30 20 CHED CCC[C@H](CCc1ccccc1)NC(=O)CCCC#N 292076920 IWIWPUPQZZVGLJ-MRXNPFEDSA-N 272.392 3.598 30 20 CHED CCc1ccc([C@@H]2CCN(CCCSCC#N)C2)cc1 293500072 ZPXQCWOLEVHYHE-QGZVFWFLSA-N 288.460 3.685 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(C2CC2)c1 294457652 WAQOKMXEYYBBPB-DCGLDWPTSA-N 254.377 3.907 30 20 CHED N#C[C@]1(C(=O)Nc2ccc3scnc3c2)CC12CCCC2 294579876 ORYSHQBVJKSFOA-INIZCTEOSA-N 297.383 3.709 30 20 CHED C=CCC[C@@H](CC)Nc1cnn(C2CCOCC2)c1C 295192996 XNEBWHBIJBMLGA-CQSZACIVSA-N 277.412 3.700 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)C(C)(C)C#N)ccc21 299471244 BOCPQGHAHICTBX-UHFFFAOYSA-N 283.375 3.786 30 20 CHED CC(C)[C@H](NCCC#N)c1cccc(C(F)(F)F)c1 299688146 NOQLDVCLCHHTMY-ZDUSSCGKSA-N 270.298 3.906 30 20 CHED C[C@H](CNc1ccc(C#N)cc1)Oc1cccc(F)c1 301443297 JCGVPMUDKQHRBR-GFCCVEGCSA-N 270.307 3.577 30 20 CHED CC[C@H](CNc1ncccc1C#N)Oc1ccccc1C 301522367 DQRMGTUBQFBBLM-OAHLLOKOSA-N 281.359 3.531 30 20 CHED N#Cc1ccc(N2CCS[C@H](c3ccccc3)C2)c(F)c1 301773391 FKUYUPLIUKFFJF-KRWDZBQOSA-N 298.386 3.992 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCOc2ccccc2)c1 302090983 GVZZUJRWDZNZMK-UHFFFAOYSA-N 294.354 3.642 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CCCc2sccc21 302888824 OQRNPXHMFGRHCQ-AWEZNQCLSA-N 279.368 3.981 30 20 CHED COc1cccc(C/N=C(/N)Nc2cccc(C(C)C)c2)c1 303691388 ANUKMSQHLHQGIB-UHFFFAOYSA-N 297.402 3.745 30 20 CHED C=CCCNc1cc(Cl)ccc1OC[C@H]1CCCO1 303789245 FCSNKVBOIXDWID-CYBMUJFWSA-N 281.783 3.886 30 20 CHED CCc1nc(C#N)cc(NCC2CCC(C)(C)CC2)n1 308176192 GQTCDINSAVFINQ-UHFFFAOYSA-N 272.396 3.539 30 20 CHED Cc1nc(N(C)[C@H]2CCC[C@H](C)C2)c(Cl)cc1C#N 311555729 JRMBGXXOYIKYTO-GWCFXTLKSA-N 277.799 3.930 30 20 CHED Cc1nc(Sc2ccc3c(c2)CCC3)ccc1C#N 311599137 GFIADXCMAOJPPG-UHFFFAOYSA-N 266.369 3.902 30 20 CHED C=CCCCCCCNc1ccc(S(C)(=O)=O)cc1 312002009 RSITUWXNIXIIRI-UHFFFAOYSA-N 281.421 3.639 30 20 CHED COc1ccc2c(c1)C[C@@H](Nc1cccc(CC#N)c1)CC2 313411055 PBTHMBAFJIWFDA-SFHVURJKSA-N 292.382 3.731 30 20 CHED COc1ccc(CNc2cccc(CC#N)c2)cc1F 313435219 JKBUTTSWNVZSCG-UHFFFAOYSA-N 270.307 3.512 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1oc2ccccc2c1C 320630036 KFCDODLXHIPSGA-KBPBESRZSA-N 273.376 3.719 30 20 CHED N#Cc1cccc(OCCN2CCCCCCCC2)c1 321830310 GBGIVUXCLMUVPT-UHFFFAOYSA-N 272.392 3.593 30 20 CHED CC1(C)CCC[C@@H]1/N=C(/O)Nc1scnc1C1CC1 328937224 RCNAAMIBBIFPKJ-JTQLQIEISA-N 279.409 3.925 30 20 CHED N#Cc1cnc(/C(O)=N/[C@@H]2CC23CCCCC3)c(Cl)c1 329123660 RWOBVZNODIVUGE-GFCCVEGCSA-N 289.766 3.634 30 20 CHED CC[C@H]1CCCC[C@H]1C(O)=Nc1nc2cccnc2n1C 329402032 YJSMAPZBHQFMPB-NWDGAFQWSA-N 286.379 3.773 30 20 CHED CCc1nc(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)co1 329631315 WLOMXOUIPRGXBO-YNEHKIRRSA-N 276.380 3.901 30 20 CHED Cc1noc(N=C(O)[C@H]2C[C@]23CCOc2ccccc23)c1C 330107272 LWVINEQXDSVXFU-DYVFJYSZSA-N 298.342 3.620 30 20 CHED C[C@H]1C[C@H]1c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 334303135 CVIOPFQRGNMNPB-GXFFZTMASA-N 267.332 3.661 30 20 CHED Cc1nc2ccccc2cc1C(=O)N[C@](C)(C#N)C(C)(C)C 335765672 CAXIRXCWOMTTMH-GOSISDBHSA-N 295.386 3.601 30 20 CHED CSc1cccc(NC(=O)N2CCC(CC#N)CC2)c1 335971357 MNFDLKYPYWZRBV-UHFFFAOYSA-N 289.404 3.566 30 20 CHED N#CCc1cccc(C(=O)Nc2cccc(F)c2Cl)c1 335994676 ZVKQTTKHFFXTOJ-UHFFFAOYSA-N 288.709 3.797 30 20 CHED Cc1sccc1C(=O)N1CCCc2cc(C#N)ccc21 336278488 WQWVAISBOIHSED-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)c(CN(C)C)c1 337237281 CAJBPMLJCXLNLA-UHFFFAOYSA-N 280.799 3.696 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1CCC(C)C 337906028 VAGLJSNWJDPYKK-INIZCTEOSA-N 284.403 3.908 30 20 CHED COc1cc(C)nc(CSc2nc(C)cc(C)c2C#N)c1 339742355 KGMWGZJQUFJKKA-UHFFFAOYSA-N 299.399 3.574 30 20 CHED Cc1c(C(=O)NCCCCC#N)sc2ccc(C#N)cc12 339939523 NLFRTVOJZLBMKX-UHFFFAOYSA-N 297.383 3.505 30 20 CHED Cc1c(Cl)cnc(NCc2noc3ccccc23)c1C#N 339967609 JLHJOSHJQJADHE-UHFFFAOYSA-N 298.733 3.668 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 341639460 WXPAHDSRCZXZPI-UHFFFAOYSA-N 299.374 3.998 30 20 CHED C=CCNC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 342693451 AYKNRTBCTQYJQT-INIZCTEOSA-N 272.392 3.673 30 20 CHED Cc1cccc(CN(Cc2ccccn2)CC2(C#N)CC2)c1 343326042 OOHXVVUOCLKFNX-UHFFFAOYSA-N 291.398 3.696 30 20 CHED Cc1c(CSC(C)C)cccc1NC(=O)[C@H](C)C#N 346429640 HHXIPUXCPAIUNR-LLVKDONJSA-N 276.405 3.735 30 20 CHED C=CC1CCN(C(=O)c2oc3ccccc3c2COC)CC1 346857131 ZQEDWLBEJYBIJY-UHFFFAOYSA-N 299.370 3.617 30 20 CHED C[C@@H]1CC[C@H](N(C)C(=O)c2cccc(SCC#N)c2)C1 346998938 XPMBSJYQZLVEFD-OCCSQVGLSA-N 288.416 3.563 30 20 CHED C=CCCC(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 352106076 MBNSSMLAIVMWNT-UHFFFAOYSA-N 290.260 3.705 30 20 CHED CCCOc1ccc(CNc2cnccc2C#N)c(C)c1 352583998 QFDGBRZADWAZEX-UHFFFAOYSA-N 281.359 3.663 30 20 CHED COc1cc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)ccc1C#N 353223298 SPVKZOGPNFXJHE-BLLLJJGKSA-N 296.370 3.573 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(CCC#N)Cc1cccnc1 355254169 CKFAOFAZMJJLDG-DLBZAZTESA-N 299.418 3.540 30 20 CHED CC1(C)CC[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)C1 356588322 FRPDZDFGZSXYHB-JKSUJKDBSA-N 284.403 3.769 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(OCC)c(OCC)c1 358305217 RXAYKAQMZFSGQO-OLZOCXBDSA-N 263.381 3.709 30 20 CHED C=CCN(CCC#N)C(=O)c1cc(Cl)cc(Cl)c1 359384253 IWOHCJNBBPWMGE-UHFFFAOYSA-N 283.158 3.535 30 20 CHED CC[C@H](C)n1ncc(NCC(C)(C)CCC#N)c1C 359809578 BPEBNEMEUWKWPZ-LBPRGKRZSA-N 262.401 3.904 30 20 CHED COC(C)(C)C[C@@H](C)Nc1nc(C)c(C#N)cc1Cl 360051449 NQEHNQKHIJEXHF-SECBINFHSA-N 281.787 3.531 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 366717051 CPUZTIWDIJGSOH-UOVPBQLFSA-N 298.430 3.967 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)CCC#N 376522405 MANOMWLWIQJRDV-OLZOCXBDSA-N 290.432 3.606 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1C[C@H]1C1CCCCC1 376731780 BTAOXOUDUGDCHI-LSDHHAIUSA-N 291.439 3.584 30 20 CHED C=C(C)CCN[C@@H](C)c1ccccc1OC(F)F 386744412 FBFDYNNKOGKNRV-NSHDSACASA-N 255.308 3.905 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC(C)C)c(OC)c1 393793788 FYVRWWKXRYSEQH-OAHLLOKOSA-N 277.408 3.927 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)Cc1cccc(Cl)c1Cl 410832913 FIWMBYPTRIYDSI-NSHDSACASA-N 299.201 3.687 30 20 CHED CC(C)[C@H]1N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1(C)C 412371776 YVYUKBSDLQADQC-GVDBMIGSSA-N 296.414 3.555 30 20 CHED N#CCCSCc1ncc(-c2cccs2)o1 413011853 JYSLLAUNEHKTAT-UHFFFAOYSA-N 250.348 3.550 30 20 CHED C[C@@H](NC(=O)CSCCC#N)c1ccc2ccccc2c1 413016541 WCKOZXYKNUIVBU-CYBMUJFWSA-N 298.411 3.664 30 20 CHED C[C@H](CCCC(F)(F)F)Nc1ncc(C#N)cc1F 413257367 FBYLLCQLIJVYIT-MRVPVSSYSA-N 275.249 3.625 30 20 CHED Cc1cccc([S@@](=O)CCC2(C#N)CCCCC2)c1 414230329 GGSZVTBDWKLGQV-IBGZPJMESA-N 275.417 3.967 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)o1 425368751 XSMBGTGGAJPLJJ-LLVKDONJSA-N 274.751 3.998 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)C1CCCCC1 432262408 MUPXOZIPQDSJEJ-CYBMUJFWSA-N 285.391 3.957 30 20 CHED N#Cc1ccc(NCc2nc3ccc(F)cc3s2)cc1 432447518 PPLOKBFPCQYGCY-UHFFFAOYSA-N 283.331 3.919 30 20 CHED C=CCNC(=O)Nc1cc2sc(C)nc2cc1Cl 435185884 YZEPDLPFDFEEHM-UHFFFAOYSA-N 281.768 3.566 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(F)c(C)c2)CCC1 436077213 SXLMFVYJULNSRU-UHFFFAOYSA-N 275.367 3.839 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc2c(F)cccc2[nH]1 437596448 YEBPNBGVFCZUJY-UHFFFAOYSA-N 293.345 3.811 30 20 CHED C=C(C)CNC(=O)Nc1cc(C)c(Cl)c(C)c1 442435407 IWHMYBMWSBCIMP-UHFFFAOYSA-N 252.745 3.654 30 20 CHED Cc1cc(CN[C@@H](C)CCc2ccccc2)ccc1C#N 443994457 SMTNULMFNYUKKE-INIZCTEOSA-N 278.399 3.978 30 20 CHED CC(C)Oc1cccc(CN2CCCC(C)(C)[C@H]2C#N)c1 444719576 ATRUZHPVSIRKNF-QGZVFWFLSA-N 286.419 3.988 30 20 CHED C=CC[C@H]1N(CCC(=O)NC2CCCC2)CCCC1(C)C 444776044 AUMPQTRQWODVQQ-MRXNPFEDSA-N 292.467 3.502 30 20 CHED CN(CC#Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 446766287 QZVQXGHLDKIVJP-UHFFFAOYSA-N 289.300 3.587 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)[C@H](c1ccccc1)N(C)C 449253725 ZOVDWWANJPQVQB-ZTRSQXPZSA-N 299.462 3.740 30 20 CHED N#CCc1cccc(NC[C@@H]2C[C@@H]2c2ccccc2)c1 449698242 MXJJOJPKDRFALV-FUHWJXTLSA-N 262.356 3.968 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)CCCCC1 450170358 DFMFIZKEVJIINM-BZUAXINKSA-N 291.435 3.587 30 20 CHED C=CCCC1(C(=O)NCC[C@@H]2CCc3ccccc32)CC1 452311401 GKUIZQLAMJKRLG-INIZCTEOSA-N 283.415 3.969 30 20 CHED CO[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C12CCC2 453171579 MJSMOLNEDKLHRE-YESZJQIVSA-N 284.403 3.579 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1N1CCCCC1 454192941 LLUUQQVLNPAHAH-UHFFFAOYSA-N 287.407 3.765 30 20 CHED CCOc1ccc(Cl)c(NC(=O)NCCCCC#N)c1 455773610 MSVCVPZKDMZWAQ-UHFFFAOYSA-N 295.770 3.554 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1cccc(CC#N)c1 456740384 WJUZTPQVMSQYHX-ZDUSSCGKSA-N 258.365 3.763 30 20 CHED C=C[C@@H](CC(=O)NCc1cnc(C)cc1C)c1ccccc1 456826017 ACXASGDZCCYXON-INIZCTEOSA-N 294.398 3.675 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)[C@H](C)c1cccc(C#N)c1 457251398 ZXYRKSCLMPZGOI-RPVQJOFSSA-N 284.403 3.603 30 20 CHED C=CCCCCNC(=O)N1CC(C2CCCCC2)C1 458662892 GZWCSFHPCDWPRU-UHFFFAOYSA-N 264.413 3.564 30 20 CHED C=CCN(CC=C)C(=O)c1cc(-c2ccccc2)ns1 462044120 DQXKMCDGATYITH-UHFFFAOYSA-N 284.384 3.624 30 20 CHED C=CCCC(=O)N[C@H]1c2ccccc2CCC[C@H]1C 462576004 KZUDBIVUDBXMBT-CXAGYDPISA-N 257.377 3.783 30 20 CHED COc1ccccc1[C@@]1(C)C[C@@H]1Nc1cccc(F)c1C#N 462876308 DDZNIDUJICTFOB-ZWKOTPCHSA-N 296.345 3.848 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CCCCC)C(C)C 466325827 NDNZPFOOMXTMHH-CQSZACIVSA-N 254.418 3.951 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC(C)C)C1CCCC1 466402412 VXWTTWXEPUTWPB-AWEZNQCLSA-N 266.429 3.951 30 20 CHED CC#CCCCC(=O)N1c2ccccc2CC[C@H]1CC 466865169 BGLLWBXFJLGTMP-MRXNPFEDSA-N 269.388 3.938 30 20 CHED C=CCOc1ccccc1C(=O)NCc1cscc1C 470435624 FPBRZNOIXLJJPP-UHFFFAOYSA-N 287.384 3.551 30 20 CHED C=CCCCCNC(=O)[C@H](C)Oc1ccccc1Cl 471670237 SKCGPVYTXZUIJB-LBPRGKRZSA-N 281.783 3.580 30 20 CHED C=CCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 471677119 NVNSPMOORBMIGU-NEPJUHHUSA-N 277.330 3.828 30 20 CHED C=CC[C@@H](C)N[C@@H]1CC(C)(C)c2cc(OC)ccc21 474070261 ZDHREFYKVAPHRN-MLGOLLRUSA-N 259.393 3.972 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1C 474081088 JCWLECZPROLVLI-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C=CCCCC(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 474661264 TZSLNLGVWJMDEO-INIZCTEOSA-N 275.348 3.879 30 20 CHED C=CCCCC(=O)N(CCc1ccc(F)cc1)C1CC1 476806223 LCESWLZZPPPLEO-UHFFFAOYSA-N 275.367 3.716 30 20 CHED C=CCOCCCSc1cccc(C(=O)OCC)c1 477049595 KFWHXLVPNAHUIO-UHFFFAOYSA-N 280.389 3.548 30 20 CHED C[C@H](Oc1ccc(-c2nnco2)cc1)c1cccc(C#N)c1 478785460 RFOREHQREPCEMZ-LBPRGKRZSA-N 291.310 3.748 30 20 CHED C[C@@H](CSc1ncc([N+](=O)[O-])cc1C#N)c1ccccc1 480386999 TVIKIPFNKGWNOK-NSHDSACASA-N 299.355 3.757 30 20 CHED C=CCCCCCSCc1ncnn1CC(C)C 485587060 BNTNPPKCTPZXDR-UHFFFAOYSA-N 267.442 3.914 30 20 CHED C=C[C@H]1CCCCN1c1cncc(-c2ccccc2)n1 486479865 PSGPTYMOLLPYAY-HNNXBMFYSA-N 265.360 3.689 30 20 CHED C=CCCCCCN1CCC(C(=O)N(C)CCCC)CC1 486728168 OSZJXGZWKANNMP-UHFFFAOYSA-N 294.483 3.703 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCSC[C@@H](C)C3)c2c1 487750682 MVYGVPHPHSTZQE-ZDUSSCGKSA-N 297.427 3.604 30 20 CHED C=C(C)CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 488569566 DEKQFSOQGXNOPV-LBPRGKRZSA-N 286.297 3.555 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(SC)c1 488598042 QVQBCGJZZBSHKP-UHFFFAOYSA-N 272.373 3.648 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)CCc1cccc(F)c1 488879990 KXWRZNMJUGEVKO-RHSMWYFYSA-N 289.394 3.962 30 20 CHED CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CC1(C)C 489456920 PCTKEXJRFCLKER-OAHLLOKOSA-N 256.393 3.718 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](CCC)C(C)C 490200284 XJRCZEWQBTYRII-MRXNPFEDSA-N 277.408 3.909 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 497338862 UUOBFABNVDKOHP-SOUVJXGZSA-N 276.424 3.601 30 20 CHED CC#CCCNC(=O)c1cccc(NCC(C)(C)C)c1C 498577921 AUZJBOLABQHBQH-UHFFFAOYSA-N 286.419 3.596 30 20 CHED CCN(CCSC1CCCCC1)C[C@H](C)C#N 501165235 UYXIQBPBYMHKIF-CYBMUJFWSA-N 254.443 3.534 30 20 CHED CCCCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505948394 OMKSNILAOSYIHH-LBPRGKRZSA-N 284.281 3.576 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2cccc(C#N)c2C)c(C)c1 509152320 MFKBEMXCFVDKAJ-OAHLLOKOSA-N 292.382 3.975 30 20 CHED Cc1cccc(N(C)C(=O)c2cccc(C#N)c2C)c1C 509556522 XWJZCVWIGQNTTE-UHFFFAOYSA-N 278.355 3.760 30 20 CHED N#CCN(Cc1ccc(OCc2ccccc2)cc1)C1CC1 511955501 ORUYYICGRHXSBT-UHFFFAOYSA-N 292.382 3.754 30 20 CHED CC[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)C(C)(C)C 517958310 BJEUOLYSIBCRKM-HNNXBMFYSA-N 287.407 3.524 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 518925156 DXSICRWKMXBBHE-GHMZBOCLSA-N 288.416 3.873 30 20 CHED Cc1c(F)ccc2nc(Cl)c(C#N)c(Cl)c12 521399171 IFOGQUUCHOONOU-UHFFFAOYSA-N 255.079 3.861 30 20 CHED C=C1CCN(C(=O)c2ccccc2SCC)CC1 521722525 HLRIYIBGEPONJI-UHFFFAOYSA-N 261.390 3.591 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1cccc(OCCCC)c1 523882649 SVVWJENPCZOPRD-CQSZACIVSA-N 290.407 3.629 30 20 CHED N#Cc1ccc(/C=C/c2cnc(-c3ccccc3)nc2)nc1 524157291 OLBHVRFBDZKNFV-VQHVLOKHSA-N 284.322 3.581 30 20 CHED C=C(C)[C@H](CC(=O)N(CC(C)C)C1CCCC1)OCC 535163649 YFTGBLISDNAFCN-INIZCTEOSA-N 281.440 3.785 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H]1C(C)C)c1ccccc1 536156856 DLDPZRXPNPDPKL-WBVHZDCISA-N 271.404 3.993 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1C(C)C 537188099 NTLSMXXXTVUAKF-KGLIPLIRSA-N 252.402 3.561 30 20 CHED C[C@@H](NCc1cccc(C#N)c1F)[C@H](C)c1ccccc1 543475593 YEQJDDUOBQJMOH-UONOGXRCSA-N 282.362 3.979 30 20 CHED N#Cc1ccc(/C=C/c2nc(-c3cccc(F)c3)no2)cc1 545526069 BQGQPZYYYHBMAF-CMDGGOBGSA-N 291.285 3.918 30 20 CHED N#C[C@@H](C(=O)c1cccc(C2CCC2)c1)c1ccccn1 545972995 QXILSUNCULTNNS-MRXNPFEDSA-N 276.339 3.839 30 20 CHED N#CCc1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 546949550 BXYRNPMWELWPMY-UHFFFAOYSA-N 279.274 3.609 30 20 CHED C=CCN(C)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C 549051944 AUYPQFMXOBTTEL-UHFFFAOYSA-N 299.349 3.846 30 20 CHED C=CCC[C@@H](NCC1(CN(C)C)CCCC1)c1ccco1 552283429 CUONAYPGPZZABX-MRXNPFEDSA-N 290.451 3.999 30 20 CHED Cc1nsc(Nc2ccc(NC3CCCC3)nc2)c1C#N 554675486 MCMMPTBSFZWANM-UHFFFAOYSA-N 299.403 3.816 30 20 CHED CC(C)c1ccc(O[C@@H](C)CNCc2ccc(C#N)o2)cc1 554710372 AHOCGYKLTLCGFP-AWEZNQCLSA-N 298.386 3.832 30 20 CHED C=CCOCCN(C)Cc1ccc(Cl)c(Cl)c1 555295724 CKQDNIYPGWKPFY-UHFFFAOYSA-N 274.191 3.628 30 20 CHED C=CCOCCN1CC=C(c2ccc(CC)cc2)CC1 555418947 GPDZQBDFIDMOJS-UHFFFAOYSA-N 271.404 3.541 30 20 CHED C=CCC(C)(C)c1noc([C@@H](F)c2ccccc2)n1 556363589 YUPPFYPOJJIPOA-LBPRGKRZSA-N 260.312 3.982 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1ccc(F)c2ccccc12 565325762 QILATMKENKODAE-GFCCVEGCSA-N 286.350 3.915 30 20 CHED N#CCc1ccccc1NC(=O)Cc1coc2ccccc12 566879142 GKUSAXDCVDAGEV-UHFFFAOYSA-N 290.322 3.680 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@H]1CC12CCCCC2 584247699 FPGIAUSCOWXRIE-CYBMUJFWSA-N 283.375 3.509 30 20 CHED N#CCCCCCC(=O)NCCc1ccc(F)cc1Cl 588157954 UCIFTQLZNRSZBZ-UHFFFAOYSA-N 296.773 3.612 30 20 CHED CC(C)OC1CCC(N[C@@H]2CCc3ccc(C#N)cc32)CC1 589343567 FKKGGPWBGUDTCN-FAFZWHIHSA-N 298.430 3.871 30 20 CHED N#CCCN(C(=O)CCCC1CC1)c1ccc(F)cc1 589837707 XBXGIQXWZGJNGQ-UHFFFAOYSA-N 274.339 3.653 30 20 CHED Cc1c(C(=O)N[C@H](C)C2CCC2)sc2ccc(C#N)cc12 590036263 COEIYINBMKREJI-LLVKDONJSA-N 298.411 4.000 30 20 CHED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C[C@H]1C 590748474 AUVRFPIOKHFAJB-MHRLRVJTSA-N 296.414 3.734 30 20 CHED C[C@@H](CC#N)N(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl 591169297 IBIVYZAEFUCIRI-VHSXEESVSA-N 299.201 3.857 30 20 CHED Cc1csc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)c1C#N 592632075 DNJHFJHLRDKZMX-WDEREUQCSA-N 276.405 3.939 30 20 CHED N#C[C@H]1CCC[C@@H](NCC2(c3ccccc3F)CCC2)C1 593642907 RAYDWOHNOOBHFW-LSDHHAIUSA-N 286.394 3.919 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)N1CCCC[C@H]1C 594466961 DEQCJLSRVWXMDF-ZIAGYGMSSA-N 285.391 3.545 30 20 CHED Cc1cc(C)c2c(c1)CC[C@H]2N[C@@H]1CC[C@H](C#N)C1 594515080 DWOWNVHFVVDEKU-NUEKZKHPSA-N 254.377 3.573 30 20 CHED N#Cc1ccc(NCc2cc(C3CC3)no2)c(Cl)c1 594703397 OLGIWXZKYKJFTP-UHFFFAOYSA-N 273.723 3.689 30 20 CHED CC[C@@H](CC#N)NCCSc1cccc(Cl)c1 595530776 SVOBIFODXAXSCG-LBPRGKRZSA-N 268.813 3.714 30 20 CHED N#CC[C@H]1CCCN(c2ncc(-c3ccccc3)s2)C1 596330617 UVWJDDURMAADSQ-CYBMUJFWSA-N 283.400 3.940 30 20 CHED N#CC1(c2ccccc2-c2ccc(OC(F)F)nc2)CC1 596636940 DDIYGZIOJXQJID-UHFFFAOYSA-N 286.281 3.905 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 598858311 MJBMVWYPCVAMJY-JTNHKYCSSA-N 285.391 3.581 30 20 CHED CCCN(Cc1ccc(OC)cc1)[C@H](C)CCC#N 599617648 JLOTWOIUGGAHHI-CQSZACIVSA-N 260.381 3.599 30 20 CHED N#Cc1c(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)sc2c1CCCC2 600844277 NMMOWUZOCLWEIY-GVXVVHGQSA-N 298.411 3.649 30 20 CHED C[C@H](C#N)Cn1nc(C(F)(F)F)cc1-c1cccs1 601931358 DJNWHLYLPZTLND-MRVPVSSYSA-N 285.294 3.790 30 20 CHED N#CCC[C@H](NCC1CCSCC1)c1ccccc1 602583636 SGQQFKSQQREMIA-INIZCTEOSA-N 274.433 3.764 30 20 CHED N#CCC1CCN(Cc2cc(Cl)cc(Cl)c2N)CC1 602595895 FZVNBLAQYALRTH-UHFFFAOYSA-N 298.217 3.701 30 20 CHED COC[C@H](c1ccc(Cl)cc1)N(C)C[C@H](C)CCC#N 602638721 GSZQSXAOKYLAEH-CZUORRHYSA-N 294.826 3.899 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 606506542 KTKSQHVZAUGZEY-UAGQMJEPSA-N 286.419 3.662 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@@H](C)C1CCCCC1 608822904 AZUCZXDWMVJUQZ-UKRRQHHQSA-N 264.413 3.647 30 20 CHED N#Cc1cccc(NCC2(c3ccccc3)CCCC2)n1 609890926 GNOKEIPRZLKKCS-UHFFFAOYSA-N 277.371 3.877 30 20 CHED C=CCOc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 610344622 AWGLZKFLAQMBGM-OAHLLOKOSA-N 292.382 3.974 30 20 CHED Cc1ccc(CN(c2ccc(C#N)cc2F)C2CC2)o1 610514836 DHSCBOVBUIDLGS-UHFFFAOYSA-N 270.307 3.768 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H](C)CCC(C)(C)C 612483634 WPGAPENLAFZMDX-OLZOCXBDSA-N 252.402 3.503 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1cccc(O)c1 612621912 DIFYAWUICXWPNL-OAHLLOKOSA-N 255.342 3.619 30 20 CHED CCOc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1C 613255215 IGCVRZDFGMEFHE-KBPBESRZSA-N 258.365 3.888 30 20 CHED CC(C)(C#N)CN[C@H]1CC[C@@H](Cc2ccccc2)C1 615136360 MGGYZLGNSASCKO-HOTGVXAUSA-N 256.393 3.537 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2scnc2C(C)(C)C)C1 617782978 QHGOCHXEDXLKDB-LBPRGKRZSA-N 292.448 3.869 30 20 CHED CC(C)(C)CCC(=O)NCc1ccc(C#N)c(Cl)c1 619766080 ZVROCWGCTABCIM-UHFFFAOYSA-N 278.783 3.654 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1CSc2ccccc21 620858911 SWPLHJODRXRODD-ZDUSSCGKSA-N 275.417 3.737 30 20 CHED C=CCN(C(=O)c1cnc(C(C)C)s1)C(C)(C)C 622944158 HFDKZLBGUPVDCR-UHFFFAOYSA-N 266.410 3.693 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CCCc2scnc21 623928423 PJDJAOGOFSFUPT-NWDGAFQWSA-N 250.411 3.855 30 20 CHED C=CCC1(NC(=O)Nc2ccc(NC)cc2)CCCC1 625924379 NWTTZLCZUFNNQJ-UHFFFAOYSA-N 273.380 3.739 30 20 CHED C=C[C@@H](CC(=O)Nc1nccc(C2CC2)n1)c1ccccc1 637535993 RNXMPMPNXXOQMG-ZDUSSCGKSA-N 293.370 3.652 30 20 CHED C=CCC1(C(=O)N2C[C@H](CC)OC[C@@H]2C)CCCCC1 650472216 ALNDXKPIMULCFA-GJZGRUSLSA-N 279.424 3.539 30 20 CHED C=CCCN[C@H](C)CC(=O)Nc1cc(Cl)ccc1C 658117263 SGWCLSPPHPVXQV-GFCCVEGCSA-N 280.799 3.531 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CC)Cc1ccc(F)cc1 665498881 RDWWNSBRJWJMLN-MRXNPFEDSA-N 290.382 3.530 30 20 CHED C=C(CC)CN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 678624671 JYKNKLOPTPZKHL-RKDXNWHRSA-N 275.236 3.625 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nnc(CC)s1 684208774 RQYIXTOGSXDTJI-UHFFFAOYSA-N 287.432 3.679 30 20 CHED N#Cc1cccc(NCc2cccc3ncccc23)c1 720452858 NKJLXLLMASOYNO-UHFFFAOYSA-N 259.312 3.719 30 20 CHED COc1cccc(NN=Cc2cc(C)n(C3CC3)c2C)c1 725852777 GBICWISHOATQQV-UHFFFAOYSA-N 283.375 3.894 30 20 CHED CCn1c(C)cc(C=NNc2ccc(C)cc2)c1C 728225195 LSZBSGCRBNAEIK-UHFFFAOYSA-N 255.365 3.879 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1F 731488906 VBXDOZZENHVMGK-WTKPLQERSA-N 285.274 3.938 30 20 CHED C#CCOc1ccc(CNCCc2cccc(Cl)c2)cc1 733323363 WOXFWPLBFTXVMJ-UHFFFAOYSA-N 299.801 3.684 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1 733618969 FSCSXTYFXJPDLK-HEHGZKQESA-N 270.376 3.614 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1cncs1 735793406 XQSUAFPAJUVXDC-WAYWQWQTSA-N 281.283 3.641 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)OCc1ccccc1C#N 738762611 ABARTKDZYVIVNJ-ZDUSSCGKSA-N 297.329 3.619 30 20 CHED CON=C(C)c1ccc(-c2ccccc2OC)cc1 741456442 BAYKBNXPWRCGGK-UHFFFAOYSA-N 255.317 3.733 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 741872346 KAQXQOIDAGWSBG-WFASDCNBSA-N 292.423 3.659 30 20 CHED C#CCCCNC(=O)c1cccc(Nc2ccccc2)c1 742788414 YHBJOCZAJLJRJM-UHFFFAOYSA-N 278.355 3.573 30 20 CHED C=CCOc1ccc(OC(=O)c2cc(C)ccc2F)cc1 742862029 MGSQHFWHZSBTIQ-UHFFFAOYSA-N 286.302 3.918 30 20 CHED COc1cccc(O)c1/C=N\C[C@H](C)Oc1ccc(C)cc1 743042619 MKHQEGGPZQJQPN-YQNUULROSA-N 299.370 3.596 30 20 CHED CC(C)c1nccc(N[C@H](C)c2cccc(C#N)c2)n1 743459920 PLTNTCZWLIFMPM-GFCCVEGCSA-N 266.348 3.645 30 20 CHED CC/C(=C/C(=O)NC1(C#N)CCC1)c1cccc(Cl)c1 744481884 KQXMEGDQSFJXNJ-BENRWUELSA-N 288.778 3.696 30 20 CHED C=CCCC(=O)O[C@H](C)C(=O)c1ccc(C(C)C)cc1 744919494 BUHGRTIENLRAJL-CYBMUJFWSA-N 274.360 3.891 30 20 CHED C[C@@H]1CC(=NNc2ncccc2Cl)C[C@@H](C)C1 747753732 VJYHWGIQZLVDST-UWVGGRQHSA-N 251.761 3.959 30 20 CHED Fc1ccc(/C=C\C=NNc2ncnc3ccsc23)cc1 747762462 CMXRJFGPKDHMNJ-FSDZFGLLSA-N 298.346 3.942 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 748227850 VSHJVFCDWUBJNT-AWEZNQCLSA-N 289.375 3.530 30 20 CHED Cc1cc(NN=C[C@@H](C)CCc2ccccc2)nc(C)n1 749158456 SCNSLOHJCSZXKY-ZDUSSCGKSA-N 282.391 3.760 30 20 CHED COc1ccc(NN=C(C)c2ccc3c(c2)COC3)cc1 750923941 HWWAEZSFUGDXGL-UHFFFAOYSA-N 282.343 3.562 30 20 CHED CS/C=C/C(=O)Nc1ccccc1SC[C@H](C)C#N 751576707 CMQCPPGXQGFUNR-WSKFYRRCSA-N 292.429 3.754 30 20 CHED C#CC(C)(C)NC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 754647300 YNBZHABFJJPLSN-KGLIPLIRSA-N 269.388 3.504 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@H]2CCc3ccccc32)cc1 755461552 FTBCJDKZFPPPJI-CYBMUJFWSA-N 281.315 3.723 30 20 CHED C(=NOCc1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 755631249 GBXXLECORJFOSN-DLBZAZTESA-N 251.329 3.993 30 20 CHED C=C(C)CNC(=S)N1CC(C)(C)Sc2ccccc21 755731577 ZVPRZHSCHBFKFF-UHFFFAOYSA-N 292.473 3.828 30 20 CHED Fc1ccc2c(c1)C(=NO[C@@H]1CCCCO1)CCS2 755822378 QPFHHKPLBMPKDU-CQSZACIVSA-N 281.352 3.569 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C#N)C(C)(C)C 755950618 AAFHQZNHNWHLME-MARXPDLDSA-N 290.794 3.798 30 20 CHED Clc1ccccc1[C@@H]1CCCC1=NNc1cnccn1 758104449 OZHDKYIHDXSMEZ-LBPRGKRZSA-N 286.766 3.866 30 20 CHED CC(=NOCC(F)F)c1ccc2c3c(cccc13)CC2 758904007 LQRFETHYGCGWEI-UHFFFAOYSA-N 275.298 3.944 30 20 CHED C[C@H](CC(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 758906378 HTINYYZZSPKKGV-CYBMUJFWSA-N 297.329 3.934 30 20 CHED C[C@@H]1CC[C@H](CC(=O)OCc2cc(F)ccc2C#N)C1 759412418 BDJZWNODYXSKJT-NEPJUHHUSA-N 275.323 3.567 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2CCc3c(OC)cccc32)c1 759643372 MICBLWNSSOUMML-VXIUPONVSA-N 297.354 3.516 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C#N)s2)cnc1Cl 762444129 YXHPSGJJJTVUQN-DUXPYHPUSA-N 288.759 3.873 30 20 CHED O=C1/C(=C/c2cccnc2)[C@@H]2CCCc3cccc1c32 763290922 SRLNLMWGXGWINX-KNGSKEOJSA-N 261.324 3.781 30 20 CHED CC[C@H](C)CON=C(N)c1cccnc1Oc1ccccc1 764547424 AGMQHLURAYGWBG-ZDUSSCGKSA-N 299.374 3.557 30 20 CHED CCc1nc2c(s1)[C@@H](NCc1ccc(C#N)cc1)CCC2 765011407 ASGACJGJBWGLIA-AWEZNQCLSA-N 297.427 3.744 30 20 CHED CCCCCC=NNc1cc(C#N)cc(Cl)n1 768381381 GGNOHXHKJYUPHA-UHFFFAOYSA-N 250.733 3.585 30 20 CHED C=CCN(C/C=C\c1ccccc1[N+](=O)[O-])C(C)C 768547874 SYKRLBVZHAHCIL-CLFYSBASSA-N 260.337 3.504 30 20 CHED C=CCN(Cc1c(C)nn(CC(C)C)c1OCC)C(C)C 768548207 YLVKHQHWSKFLLS-UHFFFAOYSA-N 293.455 3.643 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1c(C)n[nH]c1C)C2=O 769747256 YYBQFIQKGVSMDE-NTEUORMPSA-N 280.371 3.856 30 20 CHED CCn1nc(C=NNc2ccc(C)cc2)c2ccccc21 769766540 NTHPEXGJOZZWQB-UHFFFAOYSA-N 278.359 3.811 30 20 CHED COc1ccsc1C(C)=NNc1cnnc2ccccc12 769778419 AWDMDPPCIBLFAV-UHFFFAOYSA-N 298.371 3.536 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccc(F)c([N+](=O)[O-])c1)CC2 769821954 KXXSKRBBSYBZNV-UHFFFAOYSA-N 299.305 3.805 30 20 CHED C=CCC[C@H](NC(=S)NC(C)C)c1ccccc1 771850526 LLMOHVHTJIEWFB-AWEZNQCLSA-N 262.422 3.566 30 20 CHED C=C(Cl)CN[C@H](C)c1ccccc1OC(F)(F)F 773004338 KKOUMQNBRYPKLG-SECBINFHSA-N 279.689 3.988 30 20 CHED C#CCCCCC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 773540789 DREPHXOEHKSMGJ-SFHVURJKSA-N 287.378 3.895 30 20 CHED N#C[C@@H](OC(=O)C=C(C1CC1)C1CC1)C1CCCCC1 776380859 NSRGKWXQWHPFPL-MRXNPFEDSA-N 273.376 3.748 30 20 CHED Cc1cccc2[nH]cc(CC(=O)OCCC(C)(C)C#N)c12 776383922 VCNZDBMNYYFNAO-UHFFFAOYSA-N 284.359 3.502 30 20 CHED N#Cc1cc(C(=O)OCc2ccc(Cl)cc2Cl)c[nH]1 779219260 SLYKQQQZXKLVNA-UHFFFAOYSA-N 295.125 3.550 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)cc1)c1cnn(C)c1 779824491 CANNOBROQFSFQZ-UHFFFAOYSA-N 284.407 3.944 30 20 CHED C#CCCCCCC(=O)NCc1ccccc1OCC1CC1 779917738 LKNLBJDBIJOHRF-UHFFFAOYSA-N 299.414 3.675 30 20 CHED CCSc1cccc(C=NN[C@@H]2CCOC(C)(C)C2)c1 780252512 ZZYLQGNGKBKVQT-CQSZACIVSA-N 292.448 3.680 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc3cnccc3c2)cc1 782096707 DPGWJUBMXMVANH-UHFFFAOYSA-N 292.298 3.589 30 20 CHED O=C(O)c1csc(/C=C2/CCc3sccc3C2=O)c1 782199195 CUIZPIQNGDTVHV-YVMONPNESA-N 290.365 3.720 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1ccc(C)cc1 782417164 DYVSWOWNBCHOLY-AWEZNQCLSA-N 260.406 3.732 30 20 CHED C#CCCN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 782565565 ZPOYOCVFGGHYNS-HIFRSBDPSA-N 281.321 3.954 30 20 CHED N#C[C@H](C(=O)[C@H]1CCCCS1)c1ccc2ccccc2n1 783340960 LLCOOPNFPUXRHQ-XJKSGUPXSA-N 296.395 3.697 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)c(F)c1)c1cncs1 787172916 RLUTXEBXSOMKFY-HNQUOIGGSA-N 299.273 3.780 30 20 CHED C#CCC1(C(=O)N2CC[C@H](c3ccccc3)C2)CCCCC1 788190506 WBVGVQYKRLPDSS-SFHVURJKSA-N 295.426 3.976 30 20 CHED C#CCC1(C(=O)NCCc2ccc(C)cc2)CCCCC1 788223372 LENJNWDTUHFGNG-UHFFFAOYSA-N 283.415 3.628 30 20 CHED Cc1cc(C(=O)/C=C\c2cc3ccccc3s2)n(C)n1 789159376 MKWFWXOOXVREJW-FPLPWBNLSA-N 282.368 3.839 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1cncc(CC)c1 789401990 IUAMJDMKVIEWRL-UHFFFAOYSA-N 297.354 3.600 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1cc(C)oc1C 790308630 JRTQELBFYFTHMZ-UHFFFAOYSA-N 291.282 3.780 30 20 CHED CC(=NNc1ncncc1F)c1ccc2ccccc2c1 793218103 OMQQNZPXXWVPAH-UHFFFAOYSA-N 280.306 3.605 30 20 CHED CC(=NNCCC(F)(F)F)c1cc(C)ccc1C 794551951 GFBSWQZXNHHNTJ-UHFFFAOYSA-N 258.287 3.569 30 20 CHED N#Cc1ccc(F)c(COC(=O)/C=C\c2cccc(F)c2)c1 794638038 ASGJRORVLJCXNK-ALCCZGGFSA-N 299.276 3.593 30 20 CHED FCC[C@@H]1CCCC1=NNC(=S)Nc1ccccc1F 794864696 DKQWUEWMAUUAAR-JTQLQIEISA-N 297.374 3.628 30 20 CHED C[C@@H]1CSCC1=NNc1ccccc1OC(F)(F)F 794930948 NCFSCQGHQSAFSO-MRVPVSSYSA-N 290.310 3.736 30 20 CHED Fc1cc(-c2cccs2)ccc1C=NNc1cncnc1 794978407 FWOSLDOMTKZWFO-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1cc(Cl)ccc1Cl 797800565 GRRJSFSTHZQLEB-UHFFFAOYSA-N 296.109 3.986 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(C)C 799045891 WDWUBPDTEDHGQF-SMDDNHRTSA-N 297.320 3.583 30 20 CHED C#C[C@@H](NC(=O)C(CC)(CC)c1ccccc1)C(C)C 799048904 XMUMLZOCKARMSM-MRXNPFEDSA-N 271.404 3.518 30 20 CHED COc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1Br 799722468 HWUGZLKDPBCINX-NXEZZACHSA-N 295.180 3.562 30 20 CHED CCOC(=O)[C@H]1CCC(=NOCC(C)C)c2ccccc21 802712962 XYNGTNOURAOJHF-HNNXBMFYSA-N 289.375 3.504 30 20 CHED CCC(=CC(=O)Nc1cc(C#N)ccc1NC1CC1)CC 803316068 PFTRNILXQHXUOX-UHFFFAOYSA-N 283.375 3.817 30 20 CHED Cc1ccsc1/C=C\C(=O)c1cccc(-n2ccnn2)c1 806575697 KFUAPYCTXIOOQN-WAYWQWQTSA-N 295.367 3.533 30 20 CHED C[C@@H]1CC(=NNCc2ccc(C#N)cc2)c2ccccc21 807978583 XHFXHENPRZWKHS-CYBMUJFWSA-N 275.355 3.559 30 20 CHED C#CCN(C/C(C)=C\c1ccccc1OC(F)F)C1CC1 811490125 NATOJNLKTGFYPZ-QBFSEMIESA-N 291.341 3.789 30 20 CHED C#C[C@H](Nc1nc(CC)ns1)c1ccc(Cl)cc1 811862591 XPDSRGPBLNHHKY-NSHDSACASA-N 277.780 3.540 30 20 CHED CC(=NOC1CCC1)c1ccccc1OC(F)F 812237126 LGXOMRDIFGWVFU-UHFFFAOYSA-N 255.264 3.581 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(Cl)nc1 812243752 UIVWEVMEKJWNEI-DJWKRKHSSA-N 291.709 3.779 30 20 CHED Fc1ccccc1NN=Cc1nc2c(s1)CCCC2 814789211 BLFMQANXYKQWAB-UHFFFAOYSA-N 275.352 3.607 30 20 CHED Fc1cccc(F)c1NN=C1CC[C@@H]1C1CCC1 814852772 OOUPKZMOLZVAOU-SNVBAGLBSA-N 250.292 3.943 30 20 CHED CC(C)(C)[C@H]1CC(=NNCc2ccc(C#N)cc2)CS1 814881388 NPSQIJWYGGJRKO-OAHLLOKOSA-N 287.432 3.555 30 20 CHED CCC(CC)CNN=C(C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814906352 QUPHGVORTJCMMK-KGLIPLIRSA-N 282.428 3.525 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1csnn1 814912863 FQCPVWAHEDEECH-UHFFFAOYSA-N 287.175 3.681 30 20 CHED COc1cccc(C=NNc2ccc(F)c(F)c2F)c1 814945846 SYGKSCNINBQDIF-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CCOc1ccc(NN=Cc2c(F)cccc2F)cc1 814984156 LBPAYWFHANHCCY-UHFFFAOYSA-N 276.286 3.810 30 20 CHED N#Cc1cccc2c1CCN2C(=O)CCCc1ccsc1 817471256 KSEMFWDJALWSGK-UHFFFAOYSA-N 296.395 3.532 30 20 CHED CC(C)c1ccc(C=NN[C@H](C)c2ccncc2)cc1 819815271 ONKMIZQYIZNCJB-CQSZACIVSA-N 267.376 3.890 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2F)c1 821007367 HNIMDUZDUOLKCG-VMPITWQZSA-N 285.274 3.938 30 20 CHED CC[C@@H](CNC(=O)c1cc(C#N)ccc1C)CC(F)(F)F 822681861 MTQCAOLTNAWCRO-LLVKDONJSA-N 298.308 3.575 30 20 CHED C[C@H](C[C@H](O)c1cccs1)NC1CCC(C)(C#N)CC1 824066925 YBBAZGMAJVEPTQ-RXFTYZNJSA-N 292.448 3.622 30 20 CHED C#CCO[C@H](C)c1nc(C(C)(C)C2CCCCC2)no1 834718387 UPVQPEIMWVBPIZ-GFCCVEGCSA-N 276.380 3.638 30 20 CHED O=C(O)c1ccc(NN=C2CCCC23CCC3)cc1 834912203 LAGZPPOKKQNKDZ-UHFFFAOYSA-N 258.321 3.507 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1 835077500 UPCQZOGXNREYKR-UPJWGTAASA-N 282.343 3.686 30 20 CHED Cc1cc(C)cc(CON=Cc2cccc(F)c2)c1 836718132 CQZTZOPEWMLQLC-UHFFFAOYSA-N 257.308 3.993 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@@]1(C)CC1(Cl)Cl 836905381 OJWFJFYVTCHHGN-LBPRGKRZSA-N 278.223 3.679 30 20 CHED C=CCC1(NC(=O)c2cccnc2Cl)CCCCC1 836961510 GBXBNCCWNQVZDH-UHFFFAOYSA-N 278.783 3.744 30 20 CHED C=CCC1(C(=O)OCCc2c(C)noc2C)CCCC1 838279160 IGILOGLRHIJYFN-UHFFFAOYSA-N 277.364 3.514 30 20 CHED C#CCC[C@@H](C)OC(=O)Cc1nc(-c2ccccc2)oc1C 839035564 YPDJTXXDRBMIGF-CYBMUJFWSA-N 297.354 3.538 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cnc3ccsc3c2)C1 839050626 CHTOMINMJIUSSO-CMPLNLGQSA-N 286.356 3.535 30 20 CHED C=C(Cl)CN[C@@H](C)c1cccc(OC(C)C)c1 839539249 OSJQIMZJODDVQP-LBPRGKRZSA-N 253.773 3.877 30 20 CHED C#CCC1(C(=O)N2CC(C)(C)C[C@@H]2C)CCCCC1 839877860 TTWYRJRVGPWPQF-AWEZNQCLSA-N 261.409 3.607 30 20 CHED C[C@@H]1C[C@H](/N=C\c2c(O)ccc3ccccc23)CS1 840712027 UXUXHLPNBOZAJN-JLKWGVLYSA-N 271.385 3.858 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc(C2CC2)cs1)C1CCC1 842942289 ISDNTMANCYCSMK-JOYOIKCWSA-N 274.389 3.633 30 20 CHED C#CC1CCN(C(=O)c2ccc([C@H](C)CC)cc2)CC1 843706216 NKCQMGUKKSMOKD-CQSZACIVSA-N 269.388 3.686 30 20 CHED C=C[C@@H](C)ONC(=O)NC1CCC(c2ccccc2)CC1 844284964 NRBYKQCVIVBYLI-IUDNXUCKSA-N 288.391 3.518 30 20 CHED COCc1cccc(/C=C\C(=O)c2coc(C(C)C)n2)c1 844552928 OEMRKCPXXWFVMK-FPLPWBNLSA-N 285.343 3.841 30 20 CHED C=C[C@H](C)ONC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 846546010 RLQPBDGZGLXKEZ-VUCTXSBTSA-N 281.355 3.566 30 20 CHED Cc1ccc(-c2ncc(C=NNC[C@@H](C)C#N)s2)cc1C 848407724 SOAOSKWFDRSJPN-NSHDSACASA-N 298.415 3.510 30 20 CHED CCCCCCC[S@](=O)Cc1cnc2ccccc2n1 849222425 AHAVRKAXCGONMJ-FQEVSTJZSA-N 290.432 3.849 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)O[C@H](C)CC(C)(C)C#N 851211013 XWXPKNDZSIIXBR-TZMCWYRMSA-N 281.396 3.596 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@@H]1CCC[C@@H](OC)C1 851300137 LDNWXPQZTNCYRU-ZIAGYGMSSA-N 268.397 3.727 30 20 CHED C[C@]12CCN([C@H](C#N)c3ccccc3)C[C@@H]1C2(Cl)Cl 852023520 MERBBFZTZFQKAU-RDBSUJKOSA-N 295.213 3.767 30 20 CHED Fc1cc(NN=Cc2ccnn2CC2CC2)ccc1Cl 853314636 RITNZGQYPFEQKC-UHFFFAOYSA-N 292.745 3.532 30 20 CHED CC1(C)C(=NNc2ccc3[nH]ncc3c2)[C@H]2CCC[C@H]21 853331452 SLGGKQXXXYSPLA-QWHCGFSZSA-N 268.364 3.787 30 20 CHED C[C@@H](NN=C1CCC(=C2CCC2)CC1)C(F)(F)F 853354159 XXWCWWBJYKLJHT-SECBINFHSA-N 260.303 3.937 30 20 CHED C=CCC(F)(F)C(=O)OCc1nc2cc(C)ccc2s1 859703767 OSHXFBOGRJTFFU-UHFFFAOYSA-N 297.326 3.859 30 20 CHED CCc1oc2ccccc2c1CC(=O)OCCCCC#N 860238608 UZBNBPHHNIBOFS-UHFFFAOYSA-N 285.343 3.775 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)CCCc1cccnc1 860810286 NUNDLNHWUPBTBZ-CQSZACIVSA-N 288.391 3.666 30 20 CHED C#C[C@H](OC(=O)c1csc(C2CC2)n1)c1ccc(C)cc1 860963983 HKKZJZTUJROULU-HNNXBMFYSA-N 297.379 3.860 30 20 CHED CCC(=NN[C@H]1CCSC1)c1cc(C)ccc1C 863112973 ILHZKULOPPXOMI-ZDUSSCGKSA-N 262.422 3.513 30 20 CHED CC[C@H](C)CC(=O)N(C)c1ccc(C#N)c(Cl)c1 876168018 DNSJPMFYVUVRHI-JTQLQIEISA-N 264.756 3.611 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1cc(-c2ncco2)ccc1C 879039075 GKYJQHAVOQPXAO-KRWDZBQOSA-N 297.358 3.573 30 20 CHED C=C1CCC(C(=O)Nc2n[nH]cc2-c2ccccc2)CC1 889868248 ANNDKUTYDFZWSP-UHFFFAOYSA-N 281.359 3.762 30 20 CHED CCCCCC[C@H](C)CC(=O)N(CC#N)c1ccccn1 892464180 FQAUSCAPBNMAPW-HNNXBMFYSA-N 287.407 3.935 30 20 CHED C=C1CCC(C(=O)N2CCC[C@H]2C2CCCC2)CC1 895822146 LBQOWEFQMBYQHR-INIZCTEOSA-N 261.409 3.914 30 20 CHED Cc1cnc(N2CCC(c3ccc(C#N)cc3)CC2)s1 896865274 UFHXELCQWFFYLX-UHFFFAOYSA-N 283.400 3.707 30 20 CHED COc1cccc(C(=O)/C=C/c2cnn(CC3CCC3)c2)c1 899335568 DXDFQGGCTQVNNZ-CMDGGOBGSA-N 296.370 3.588 30 20 CHED C#CC[C@H](N[C@@H](C)CC(C)(C)CC(=O)O)c1ccccc1 902241997 VEVSSKZDRXLWTE-HOCLYGCPSA-N 287.403 3.620 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCCc2c1cnn2C 914860985 IPAQMBHQVFMYNE-OAHLLOKOSA-N 291.439 3.664 30 20 CHED CCCC(C)=NNC(=S)Nc1cccc(C)c1C 915912029 NIKKRSFWCLYVIF-UHFFFAOYSA-N 263.410 3.766 30 20 CHED Clc1ccccc1C=NNc1nc2ccccc2[nH]1 915915471 LMYVVBGYGXOVOE-UHFFFAOYSA-N 270.723 3.662 30 20 CHED Cc1ccc(C=NNCc2cccc3cccnc23)s1 915959285 LGCPNCLODWOAAZ-UHFFFAOYSA-N 281.384 3.728 30 20 CHED CSc1ccc(C=NNCc2cc(F)ccc2F)cc1 915980510 YNNYPKYTYQZHRN-UHFFFAOYSA-N 292.354 3.810 30 20 CHED Oc1cccc(/C=N/CCc2csc3ccccc23)c1O 915981217 OOBXLVSLSKTBOI-VCHYOVAHSA-N 297.379 3.974 30 20 CHED CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1ccc(C)o1 916259306 DBSGMLVUEUSSHU-UHFFFAOYSA-N 292.722 3.776 30 20 CHED CCCCC/C(C=NN1CCOCC1)=C/c1ccccc1 916289378 CHDUELQYTITNAG-GMQVTRRGSA-N 286.419 3.968 30 20 CHED CCCCCCCC(C)=NNc1ncnc2[nH]cnc12 917556295 ZNDWNEZMVHYUPO-UHFFFAOYSA-N 274.372 3.501 30 20 CHED N#CCCCn1nc(-c2ccc(Cl)cc2)nc1Cl 918626311 BUNPZIGJTIBVGQ-UHFFFAOYSA-N 281.146 3.556 30 20 CHED CCCCCCCOC(=O)c1ccccc1OCC#N 920116676 PVLKLWMFFWLSBP-UHFFFAOYSA-N 275.348 3.716 30 20 CHED C[C@H](NN=Cc1ccc(O)c(Cl)c1)c1ccccc1 921259682 GGZCRUGJAOEKIY-NSHDSACASA-N 274.751 3.730 30 20 CHED COc1cc(N[C@@H](C)CC(C)(C)C#N)cc(-n2cccn2)c1 926332076 HYOGJFQHGDNWGU-ZDUSSCGKSA-N 298.390 3.621 30 20 CHED C=C1CN(C(=O)Nc2cccc(C3SCCS3)c2)C1 929431329 YGFVXYPIUHZHRI-UHFFFAOYSA-N 292.429 3.569 30 20 CHED CC(C)[C@H](CO)[C@@H](NCCCCC1(C#N)CCC1)C(C)C 930641284 ZQPYSVUQFIPFMP-IRXDYDNUSA-N 294.483 3.729 30 20 CHED C=CCOC(=O)c1nc(-c2ccccc2)oc1C(C)C 1115895065 CBYJMKMJVPSKDZ-UHFFFAOYSA-N 271.316 3.808 30 20 CHED CC(C)c1nc(C=NNc2cc(Cl)ccn2)cs1 1116489545 QZWGTSZBOLDAGF-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C=CCOc1ccc(-c2nnc(CC(C)C)o2)cc1OC 1117246450 OWJQWZOLFYFVMI-UHFFFAOYSA-N 288.347 3.509 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cnn(C2CCC2)c1 1123538190 WDYGEEMYXLUGEA-AWEZNQCLSA-N 288.395 3.571 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C#N)ccc1C 1124900671 VFVYBPDJOLSURV-GOEBONIOSA-N 270.376 3.565 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c1 1129809625 RDHXEBVTWNWCMH-GZBFAFLISA-N 270.376 3.878 30 20 CHED Cc1cc(SCC(=O)c2ccccc2)ccc1C#N 1166393753 VJQXAFGYBHNBBE-UHFFFAOYSA-N 267.353 3.842 30 20 CHED Cc1cc(CN[C@H]2CCCC(C)(C)C2)ccc1C#N 1178505694 VSFYGAUIPHXGBW-INIZCTEOSA-N 256.393 3.925 30 20 CHED C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@](F)(C#N)C1 1193430021 CRCBBOUMWWLBNL-GUYCJALGSA-N 274.383 3.983 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc2[nH]ccc2c1 1205594815 ZLBFVLKHQWBDOG-UHFFFAOYSA-N 275.355 3.672 30 20 CHED CC#CCCCc1nnc([C@@H](CC)c2ccccc2)o1 1261576367 NSYVLLALIIUFLO-HNNXBMFYSA-N 268.360 3.958 30 20 CHED CC(C)c1nc([C@H]2CCCCN2CCC(C)(C)C#N)no1 1307511254 VGVSKWLTDNIFEH-CYBMUJFWSA-N 290.411 3.660 30 20 CHED C=C(C)COC(=O)c1nc(-c2ccccc2)oc1C1CC1 1317999812 BTKQFYCBHZPBAE-UHFFFAOYSA-N 283.327 3.952 30 20 CHED C=C[C@@H](Cc1nnc(-c2ccncc2)o1)c1ccccc1 1322106881 XTMOZIGMWHFUFQ-ZDUSSCGKSA-N 277.327 3.644 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1ccc(C#N)s1)C2=O 1322322918 HZBNQJHRECAETM-KPKJPENVSA-N 295.363 3.895 30 20 CHED C=CCCC[C@H](C)NC(=O)c1csc(-c2ccco2)n1 1323458853 WYOFTPOXUDWSQD-NSHDSACASA-N 290.388 3.878 30 20 CHED CC1CCC(c2noc(-c3csc(C#N)c3)n2)CC1 1330712510 AHUGQUYAUJMMLO-UHFFFAOYSA-N 273.361 3.963 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2ccc(OCC#N)cc2)CC1 1332449006 AYMUKDYMGPNERN-CQSZACIVSA-N 284.359 3.664 30 20 CHED C=C(C)CCC(=O)N(c1ccc(OC)c(F)c1)C(C)C 1337076715 YFKSIELAHNFGCT-UHFFFAOYSA-N 279.355 3.932 30 20 CHED CC1(C)CCC(C(=O)Nc2cnc(Cl)cc2C#N)CC1 1337423051 DWIBZJAFQVWWLO-UHFFFAOYSA-N 291.782 3.762 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)C1(C)C 1339865617 FPQWBEQXEHMDOS-UHFFFAOYSA-N 271.364 3.519 30 20 CHED N#Cc1csc(CNCc2cccc(C(F)F)c2)c1 1343164914 ZQRIIIJRTLRMNB-UHFFFAOYSA-N 278.327 3.847 30 20 CHED CC[C@@H](C)c1nnc(/C=C/c2ccccc2C#N)o1 1345855416 OLHCEAQGUVEEHH-ANYFNZRUSA-N 253.305 3.625 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 1350907813 OHVFIAKHIPPZDE-DOMZBBRYSA-N 294.354 3.513 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2cc(C#N)c(F)cc2F)C1 1438610521 KXDABQBCYSVWTF-VHSXEESVSA-N 278.302 3.601 30 20 CHED N#CC1(C(=O)Nc2cccc(Oc3ccccc3)n2)CCC1 1457122608 JULZLFOXDMYLAG-UHFFFAOYSA-N 293.326 3.506 30 20 CHED N#Cc1sccc1C(=O)N1CCC=C(c2ccccc2)C1 1459945416 UTCITIIPBLKHPL-UHFFFAOYSA-N 294.379 3.549 30 20 CHED N#Cc1ccsc1NC(=O)NC(C1CCC1)C1CCC1 1476828945 JGQRVUPODMLZPV-UHFFFAOYSA-N 289.404 3.710 30 20 CHED CC(C)CC1(CNC(=O)c2ccc(C#N)s2)CCCC1 1516457034 NFZIQVAXZGXDEC-UHFFFAOYSA-N 290.432 3.956 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)cc1C#N 1521087669 XJBJOJKZVFIYDK-PBHICJAKSA-N 284.403 3.811 30 20 CHED CC(C)c1cnc(NC(=O)c2cc(C#N)ccc2F)s1 1529934173 FHSACNFVXVKMJY-UHFFFAOYSA-N 289.335 3.530 30 20 CHED CN(C(=O)c1ccc(C2CC2)cc1)c1cccc(C#N)c1 1534938001 FLDNSMMNDPHKNX-UHFFFAOYSA-N 276.339 3.712 30 20 CHED Cc1cc(NC(=O)c2ccc(F)c(C#N)c2)ccc1Cl 1537693290 OAWBJHCYFUFDAM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccsc2C(F)F)n1 1544535464 ZNYOAKKEZZIMCW-UHFFFAOYSA-N 293.298 3.513 30 20 CHED C[C@H]1[C@H](Cc2ccccc2)CCN1CC1(CC#N)CC1 1559589606 DPAACJYHTHRJQF-RDJZCZTQSA-N 268.404 3.633 30 20 CHED N#Cc1cccc2c1CCN2CC1CCC(F)(F)CC1 1559927383 QTTBIPHSFCCPOA-UHFFFAOYSA-N 276.330 3.746 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1F 1583534700 VSBXRIPQROAHMU-HNNXBMFYSA-N 296.345 3.905 30 20 CHED CCc1nc(C(=O)Nc2cc3ccccc3cc2C#N)co1 1583717141 KTVIKBUPIPUTEA-UHFFFAOYSA-N 291.310 3.514 30 20 CHED Cc1cc(C(=O)Nc2cc3ccccc3cc2C#N)c(C)[nH]1 1584892723 UQSSIAZSTVEGLF-UHFFFAOYSA-N 289.338 3.909 30 20 CHED C#CCCCCCCN[C@@H](c1ccccc1)[C@H](C)C(=O)O 1588441371 GBEQGEMOXVAKKT-DOTOQJQBSA-N 287.403 3.622 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(Cl)cc(C(=O)O)c1 1588691344 YNNLWADXYZVMTR-VIFPVBQESA-N 281.739 3.579 30 20 CHED C=CC[C@@H]1CC[C@@H](Nc2ccc(C(=O)O)cc2OCC)C1 1588771459 VKGMSFLJBIKMPY-TZMCWYRMSA-N 289.375 3.940 30 20 CHED C[C@H](CC=NN=C(c1ccccc1)c1ccccc1)C(=O)O 1604130650 YHICGPSFPKYZHC-CQSZACIVSA-N 294.354 3.621 30 20 CHED C=CCN(Cc1cccs1)[C@@H](C(=O)O)c1ccsc1 1609373871 SYDJFIDAPRIKBI-CYBMUJFWSA-N 293.413 3.624 30 20 CHED Cc1ccc2c(CCNc3cc(C)c(C#N)cn3)c[nH]c2c1 1639803994 JBWAZPPDXINNIJ-UHFFFAOYSA-N 290.370 3.706 30 20 CHED Cc1ccc(Sc2c(C#N)cccc2C#N)s1 1651146686 HFOBDPGFNLPMRB-UHFFFAOYSA-N 256.355 3.951 30 20 CHED N#Cc1ccnc(S[C@@H](C#N)CCc2ccccc2)c1 1651762423 MIUVWHIRYOBUFU-OAHLLOKOSA-N 279.368 3.570 30 20 CHED CCC[C@H](NC(=O)Nc1ccc(F)cc1C#N)C1CCC1 1659661232 BOMBPSDVKLBWMY-AWEZNQCLSA-N 289.354 3.788 30 20 CHED CCCC[C@@H](CCC)CNC(=O)Nc1ccnc(C#N)c1 1679656224 DPNRVZDVFCRMMS-CYBMUJFWSA-N 288.395 3.681 30 20 CHED C[C@@H](ON=C1CCc2cccc(C(=O)O)c21)c1ccccc1 1776083226 SHYIKLCPEDXTLT-GFCCVEGCSA-N 295.338 3.813 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccc(O)c(C(=O)O)c2)c1 1776132822 GXWYDMIWSDEACJ-ALCCZGGFSA-N 296.322 3.603 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(C[C@@H]2CCCC(C)(C)C2)C1 1776159146 STEFMJCAVHUOMO-RHSMWYFYSA-N 279.424 3.556 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@@H]2CCC[C@H](F)C2)CC1 1776168237 LRPHEPYGAZHGDH-CABCVRRESA-N 297.414 3.648 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(C(=O)O)s1)C2=O 1777455939 PBJIWWVEWMGEOR-YFHOEESVSA-N 284.336 3.577 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)ccc1F 103717285 JSDFEZKRFJCUQF-YCRREMRBSA-N 295.313 3.933 30 20 CHED Cc1ccc(F)c(NC(=O)CCc2ccc(C#N)cc2)c1 10413401 FTDQDYJCSRQPPJ-UHFFFAOYSA-N 282.318 3.577 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)O)s1 59275088 IXHVZYQFEYHEFS-UHFFFAOYSA-N 269.366 3.745 30 20 CHED N#Cc1ccccc1NCc1ccc(F)c(Cl)c1 53158176 LTQHVPVOQUBSPP-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCCCCCCCC(=O)N[C@@H](C(=O)O)C1CCCCC1 109687794 AJNOSOAILNIZPX-MRXNPFEDSA-N 297.439 3.887 30 20 CHED CCCN(CCC)C(=O)Nc1cc(C#N)cn1C(C)(C)C 171142150 REMSIVFQUXFXMB-UHFFFAOYSA-N 290.411 3.769 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc2[nH]ccc12 171039729 CMVDSFXYXYIQDX-UHFFFAOYSA-N 292.338 3.985 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](C)c2cccnc2)c1 56560801 PDDFQGSXFHEKKB-ZDUSSCGKSA-N 297.358 3.529 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 116857119 RGABVEHROBNWII-GDLCADMTSA-N 297.320 3.890 30 20 CHED C=CC[C@H](C)NC(=O)N(C)Cc1ccc(C(C)C)cc1 116974465 GKUCAHGVBZRPSD-AWEZNQCLSA-N 274.408 3.916 30 20 CHED C[C@H](NCCCCC#N)c1ncc(-c2ccccc2)o1 174057214 ZROBRMVGVIZCDO-ZDUSSCGKSA-N 269.348 3.686 30 20 CHED CC(C)(NCc1ccc(C#N)s1)c1ccc(F)c(F)c1 175988933 NONQKJNHDKWJAI-UHFFFAOYSA-N 292.354 3.923 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(C#N)cc1 68709062 UARGEEURANRTLT-IAGOWNOFSA-N 284.403 3.576 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C#N)s2)cc1 176398735 VUHJEGDVCYCAGO-CMDGGOBGSA-N 253.326 3.824 30 20 CHED CCCC[C@@H](CC)C(=O)N(CCC#N)Cc1cccnc1 302223441 SSPXSVQUGJJPCU-MRXNPFEDSA-N 287.407 3.540 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1cccnc1 119018439 COPYEJKZJLRXFL-AWEZNQCLSA-N 275.396 3.530 30 20 CHED C=CC1CCN(C(=O)Nc2c(C)cccc2CC)CC1 111701028 VRHUWDJZGWEXOX-UHFFFAOYSA-N 272.392 3.987 30 20 CHED N#Cc1ccc(Nc2ccc(COC3CCCC3)cc2)nn1 301959845 HHJBQIBCWOKLRM-UHFFFAOYSA-N 294.358 3.551 30 20 CHED CCC(CC)(CC)C/N=C(/N)Nc1ccc(OC)cc1 305081589 XJAMOAGFSOTUCR-UHFFFAOYSA-N 277.412 3.638 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1Nc1c(F)cc(C#N)cc1F 302459215 OTAKHBCGDCZTIX-GJZGRUSLSA-N 294.345 3.842 30 20 CHED CC(C)COC[C@H](NCCCC(C)(C)C#N)c1ccco1 184148784 FNLIEKNJGPLNLO-HNNXBMFYSA-N 292.423 3.913 30 20 CHED CC(C)c1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1 301657742 SMMWOORFEBPLIN-UHFFFAOYSA-N 282.303 3.728 30 20 CHED CC[C@H](C#N)N[C@@H](Cc1ccccc1)c1cccs1 122242071 KMVLWNBKWGZOTH-CABCVRRESA-N 270.401 3.924 30 20 CHED C=CCN(CCOC)c1ccnc2ccc(Cl)cc12 302700196 HTDDNRMNYVISBW-UHFFFAOYSA-N 276.767 3.527 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1ccccc1Cl 187962428 IFZMACGCKJKGKK-WBMJQRKESA-N 295.810 3.746 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 186624737 PFCHIAWTRUGNQR-LRDDRELGSA-N 288.416 3.729 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1cccs1 120651809 VKNNQDCLUVXFKL-ONEGZZNKSA-N 250.269 3.922 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cccc(Oc2ccccc2)c1 183888401 LXFKYZGPAAEPJE-HNNXBMFYSA-N 294.354 3.901 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](c1cccc(Cl)c1)C(C)C 183879132 LSZLWDFKSCQVEC-CABCVRRESA-N 292.810 3.888 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1cc(F)cc(F)c1 121318274 OQTQUFYVWWJVTO-HNQUOIGGSA-N 278.229 3.706 30 20 CHED Cc1c(NCc2cc(C#N)ccc2F)cccc1[N+](=O)[O-] 78531719 ZWLPMFJIURKRJK-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CC(C)c1ccc(C(=O)N[C@](C)(C#N)C(C)C)s1 185511431 ZBWRAQKJSRODOA-CQSZACIVSA-N 264.394 3.540 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1[C@@H](C)CCC 120328068 PXAMYFJFOIKZDM-IHRRRGAJSA-N 252.402 3.561 30 20 CHED C[C@@H](CC#N)N(C)Cc1c(Cl)ccc2cccnc12 129672561 XFRQFOXDCNBZLR-NSHDSACASA-N 273.767 3.622 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1c[nH]c2c(C)cccc12 74506451 UMUKWIFENVSVTN-UHFFFAOYSA-N 299.418 3.626 30 20 CHED COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1F 72047911 NJZNHBCIXSYFGJ-GQCTYLIASA-N 288.322 3.508 30 20 CHED CCOC[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 411279145 KTXAFGKDRLBFDU-INIZCTEOSA-N 278.440 3.599 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OCC)cc1F 417468562 WCCMQUMUQDXMFL-NSHDSACASA-N 280.343 3.701 30 20 CHED C[C@H]1[C@H](Cc2ccccc2)CCN1c1ncc(C#N)cc1F 413181025 JJIGPLOATAKURC-BBRMVZONSA-N 295.361 3.550 30 20 CHED C=CCN(C(=O)CC1CCC1)c1nc2c(s1)CCCC2 73853789 QPLYMMFKUCGVKW-UHFFFAOYSA-N 290.432 3.731 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1c(O)cccc1Cl 130770024 UIBSUHXGSASZID-UHFFFAOYSA-N 286.762 3.549 30 20 CHED CC(C)c1noc([C@@H](C)Sc2ccc(C#N)cc2)n1 48512209 QEELDMLQDCNUEK-SNVBAGLBSA-N 273.361 3.918 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@]2(C)CC=CCC2)c1 456973042 VWWJBGGYFBQZKU-MRXNPFEDSA-N 254.333 3.552 30 20 CHED CN(C(=O)NCCCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 413435157 GVDTWJWSBJWNHU-IAGOWNOFSA-N 299.418 3.658 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)CC1CCCCC1 410823684 AYBPQTCFOFJCAJ-DZGCQCFKSA-N 264.413 3.744 30 20 CHED CC(=O)c1ccc(NCC#Cc2ccc(F)cc2)cc1C 135089931 SXWKLNQCEHPGBG-UHFFFAOYSA-N 281.330 3.800 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)NCC#Cc2ccccc2)C1 509342981 JNABEDQNWQBLCG-ZWKOTPCHSA-N 298.430 3.552 30 20 CHED Cc1ncc(/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)c(C)n1 329357618 WRJBBYXSPFERCO-GJZGRUSLSA-N 287.407 3.614 30 20 CHED C=CCC(CC=C)C(=O)NCCCCc1nc(C)cs1 130114015 WLJIWFYRGZWRBR-UHFFFAOYSA-N 292.448 3.659 30 20 CHED CCC(C)(C)c1ccc(CN(CC#N)C2CC2)cc1 509906599 AQLKAPGEYZOJND-UHFFFAOYSA-N 256.393 3.862 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 417361503 IVRZOABPINPHCC-XIKOKIGWSA-N 295.361 3.821 30 20 CHED Cn1c(CNc2cccc(C#N)c2)nc2cc(Cl)ccc21 132878874 VBPMKGCCEJGANS-UHFFFAOYSA-N 296.761 3.710 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2sccc2C#N)C1 130896795 QIQJPEMFTTUXMY-WDEREUQCSA-N 262.378 3.775 30 20 CHED CCC1(CC)CCCN(/C(O)=N/Cc2ncoc2C)CC1 329833302 GKRXOTOZCYQIDT-UHFFFAOYSA-N 293.411 3.689 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cnc(C)s2)n1 193860628 XEWOUBZGDVQVLU-UHFFFAOYSA-N 275.402 3.627 30 20 CHED CCCC1(/C(O)=N/CCc2nc(C)oc2C)CCC1 329031482 PUTQSPPHLCTNEF-UHFFFAOYSA-N 264.369 3.761 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cscc1Cl 611254315 DPRDOPTUUAZSRV-UHFFFAOYSA-N 276.792 3.905 30 20 CHED CCc1cc(C#N)c(N=C(O)[C@@H]2CCC(=O)[C@@H](C)C2)s1 329407472 XMKXQBVSZGZIFN-VHSXEESVSA-N 290.388 3.775 30 20 CHED Cc1ccccc1[C@H](CC(C)C)Nc1cncc(C#N)n1 420597717 IWFNOGNFWRJQAR-INIZCTEOSA-N 280.375 3.856 30 20 CHED COc1ccc(C)cc1CSc1cc(C)ncc1C#N 425243925 UNHKKAROHKALDR-UHFFFAOYSA-N 284.384 3.871 30 20 CHED CCc1sc(C(=O)N2CCc3c(C#N)cccc32)cc1C 421651924 OEPOURHDGFMZIK-UHFFFAOYSA-N 296.395 3.694 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 42713421 LXYZVZWTMRBBBD-UHFFFAOYSA-N 289.423 3.554 30 20 CHED C=C[C@H](C)NC(=O)CCCc1ccc(CC(C)C)cc1 513936584 WBOHILOUIMCFJY-HNNXBMFYSA-N 273.420 3.899 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C[C@@H]1CCCOC1 192827885 ISBKCGBQJNZAAE-HOTGVXAUSA-N 283.456 3.916 30 20 CHED CC(C)[C@@H](C)N(C)c1ccc(C#N)c(Br)c1 228178713 HCCGSLIUZTYFKF-SNVBAGLBSA-N 281.197 3.801 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCCCCn1cccn1 425538829 SOIGFTLWWUBBKV-INIZCTEOSA-N 296.418 3.618 30 20 CHED O=C1/C(=C\c2ccccc2)COc2c(F)cc(F)cc21 195651248 XMZZJFSEVYHXJF-WDZFZDKYSA-N 272.250 3.624 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(C2CC2)C2(C#N)CCC2)CC1 335440347 HUOPFMYJEUUXJX-AWEZNQCLSA-N 272.392 3.560 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)c1ccccc1C)OCC 339207447 RDQQSGSGPBBUCK-INIZCTEOSA-N 275.392 3.719 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2CC=CCC2)cc1 331038034 AUXYBQAQQCJRHW-CQSZACIVSA-N 282.387 3.574 30 20 CHED C[C@H](C[S@](=O)Cc1ccccc1C#N)c1ccccc1 339152316 GSTXJHVINGFGLG-VLIAUNLRSA-N 283.396 3.611 30 20 CHED N#Cc1cc(F)ccc1NCc1ncc(-c2ccccc2)[nH]1 91463076 JENHNVWTAPNZIT-UHFFFAOYSA-N 292.317 3.700 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)[C@@H](C)C1CCCCC1 512730137 PJWWPWLWJZPCJQ-WMLDXEAASA-N 281.440 3.642 30 20 CHED N#Cc1ccc(SCc2cc(F)ccc2F)nc1 339589555 ZPYOFFNNTNQCML-UHFFFAOYSA-N 262.284 3.524 30 20 CHED Cc1c(C#N)cccc1NCc1ncc(Cl)s1 336210675 MLFICIFKGVTZLN-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(O)=Nc1cccc2c1OCCC2=O 330031253 SXBAMLHCPVNITH-YVEFUNNKSA-N 287.359 3.922 30 20 CHED C=CCC(CC=C)C(=O)NCC1(C)Cc2ccccc2C1 94099991 LZEYWNZDUAWBDY-UHFFFAOYSA-N 283.415 3.676 30 20 CHED Cc1nn(C)cc1[C@@H](C)/N=C(/O)c1ccoc1C(C)C 331091081 VZEGELFEJXKIAX-SNVBAGLBSA-N 275.352 3.511 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]2CCC[C@@H]21 90795423 ZVEJLHQWJCLISP-JQWIXIFHSA-N 295.308 3.741 30 20 CHED CC(C)CCC[C@@H](C)NCc1cc(C#N)cs1 93492025 NKEUYPFMYUCGHJ-GFCCVEGCSA-N 250.411 3.924 30 20 CHED CC1(C)CCCCN(CCCC2(C#N)CCOCC2)C1 337200532 FGKKMHPJOJCENG-UHFFFAOYSA-N 278.440 3.599 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)n1 528966881 OHBPSUAIHSOFQA-QIRAZROLSA-N 288.416 3.735 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@H]1CCCC 524118788 KNGAVAFOEVTITC-HUUCEWRRSA-N 266.429 3.953 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@H]1CCCc2ccccc21 527821709 JKOMNPJFWVNGIL-OAHLLOKOSA-N 284.403 3.553 30 20 CHED C=CCNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 523287403 DOWZZIRXUHVGEI-UHFFFAOYSA-N 275.348 3.778 30 20 CHED Cc1ccc(Nc2nccnc2C#N)cc1OCCC(C)C 525357732 QQTIZUSMYYHJQV-UHFFFAOYSA-N 296.374 3.825 30 20 CHED COc1cc([C@@H](C)Nc2ccc(C#N)c(Cl)c2)ccn1 340946126 ZHWLPHQZWZQADV-SNVBAGLBSA-N 287.750 3.788 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCc2sccc21 436279168 AQYKYTZCLNWFAM-XPKDYRNWSA-N 277.433 3.696 30 20 CHED C=C(CNc1nc(C)cc(C)c1C#N)c1ccccc1 340910619 JEZZBPPQWPGDPD-UHFFFAOYSA-N 263.344 3.695 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)CCOCc1ccccc1 602661687 IJEJQDKNBJWVPR-HOTGVXAUSA-N 274.408 3.511 30 20 CHED N#Cc1ccccc1S[C@@H]1CCO[C@@H](c2ccncc2)C1 600524454 LPKFMZDNJICMKY-HZPDHXFCSA-N 296.395 3.966 30 20 CHED N#CCN(CCCOc1cccc2ccccc12)C1CC1 604541072 USXBIJRQWRLNHG-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C=CCN(Cc1cc(-c2ccc(C)cc2)no1)C1CC1 540058630 SYNDEMJUBLZMLO-UHFFFAOYSA-N 268.360 3.800 30 20 CHED N#Cc1cccc(OCCN(C2CCCCC2)C2CC2)c1 603848740 JTAPBZIJBOSRJT-UHFFFAOYSA-N 284.403 3.734 30 20 CHED O=C(/C=C\c1cncs1)c1ccc(Cl)c([N+](=O)[O-])c1 255639179 PFHNLKUIKPCTOU-RQOWECAXSA-N 294.719 3.601 30 20 CHED Cc1ccc(N[C@H](C#N)Cc2ccccc2)c(C)c1 604553113 KHTMXLWFTUXRNJ-INIZCTEOSA-N 250.345 3.850 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(SC(C)C)cc1 608816234 JXPDIMOLWXMEBF-CYBMUJFWSA-N 276.405 3.609 30 20 CHED CCOc1cccc(C=Nc2cc(F)ccc2OC)c1O 254978030 ZTLCFNAYRYFJEA-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CCCCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603621702 UPNRIZOQFNDRPM-UHFFFAOYSA-N 295.342 3.874 30 20 CHED CC(C)CN(C(=O)CCc1ccco1)c1ccc(C#N)cc1 346478739 NFIYTIYJWBEBNX-UHFFFAOYSA-N 296.370 3.773 30 20 CHED CC(C)c1cnc(CNc2cc(F)cc(C#N)c2)s1 601064917 UIXYELLJVMBFKL-UHFFFAOYSA-N 275.352 3.889 30 20 CHED Cc1cc(CN=c2[nH]c3cc(Cl)ccc3o2)ccc1C#N 446958100 OYKIYDTUPUNQQL-UHFFFAOYSA-N 297.745 3.695 30 20 CHED CC1CCC(CC(=O)N[C@@H](C#N)c2ccc(F)cc2)CC1 359875406 MKTSOVUADXZRJA-ZUEPYMLJSA-N 288.366 3.723 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc2ccccc2c1O 255561238 YUZTXAIMIHWZSY-YFHOEESVSA-N 275.307 3.837 30 20 CHED CC[C@H](C)Cc1noc(CC2(C#N)CCCCC2)n1 601399181 NWMATKNHOMZZEL-LBPRGKRZSA-N 261.369 3.675 30 20 CHED C=CCCC1(C(=O)Nc2cccc(OCCF)c2)CC1 356408100 ASGPILZSWJKVJT-UHFFFAOYSA-N 277.339 3.720 30 20 CHED N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccncn1 354467186 KJKIIZYWJKBSEO-QGZVFWFLSA-N 299.333 3.634 30 20 CHED CCc1ccc(CCNc2ccc([N+](=O)[O-])cc2C#N)cc1 609893665 MCUVMRLDHJHCTQ-UHFFFAOYSA-N 295.342 3.683 30 20 CHED CC[C@H](N[C@H](CC)[C@@H]1CCCO1)c1ccc(C#N)cc1 447590117 ZZXFZQSHKYABLP-BBWFWOEESA-N 272.392 3.557 30 20 CHED COc1cccc(C=Nc2cc(C)ccc2F)c1O 263626061 FETXSAFKAVDXOQ-UHFFFAOYSA-N 259.280 3.599 30 20 CHED COC(=O)c1cccc(CSCc2ccccc2)c1C#N 533690286 RBBSSOZCUWSEOG-UHFFFAOYSA-N 297.379 3.778 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)Cc1c(Cl)cccc1Cl 267257566 PLWWEEHYBQMJQT-LBPRGKRZSA-N 299.201 3.590 30 20 CHED CC(C)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 618578785 YSXWLMXBPPOING-YOEHRIQHSA-N 256.393 3.982 30 20 CHED C=CCc1cc(CN(C)[C@@H](C)C(C)(C)C)cc(OC)c1O 535085021 BCZQPZMNKDZXAM-ZDUSSCGKSA-N 291.435 3.996 30 20 CHED C[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 619697578 VRIKUCHJULHPGR-RISCZKNCSA-N 292.329 3.561 30 20 CHED N#Cc1ccc(CNc2ccc(C(F)(F)F)nc2)c(F)c1 353219187 AJKMWYDLGARMNL-UHFFFAOYSA-N 295.239 3.723 30 20 CHED Fc1ccc(CON=C2CCC2)cc1Br 265288369 ABPFXTZTABGQLP-UHFFFAOYSA-N 272.117 3.645 30 20 CHED N#CCc1ccc(NCc2cc3ccccc3[nH]2)cc1 618965669 PRUJUEDYQFZOPO-UHFFFAOYSA-N 261.328 3.846 30 20 CHED C[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1cccc(C#N)c1 619781347 GAWYRCBTMBIRRD-RHSMWYFYSA-N 284.403 3.701 30 20 CHED N#CC[C@H](CC(=O)Nc1ccc(O)cc1F)c1ccccc1 356738621 MXUAMMFVXYBYPJ-CYBMUJFWSA-N 298.317 3.557 30 20 CHED C=C(CC)CN[C@@H](C)CC(=O)Nc1ccccc1CC 449736866 XADHEAPSJCJFLA-AWEZNQCLSA-N 274.408 3.522 30 20 CHED C=C1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 353326300 BSESILGGZNVTBZ-UHFFFAOYSA-N 287.794 3.678 30 20 CHED CC1(C)CCCN(C(=O)c2ccc3c(c2)CCC=C3)[C@H]1C#N 355238080 DGDYCRFUKMGKTN-KRWDZBQOSA-N 294.398 3.800 30 20 CHED C=C(CC)CNC(=O)C1(c2ccc(C)c(OC)c2)CCC1 456825845 HODGQELZVYKCFE-UHFFFAOYSA-N 287.403 3.508 30 20 CHED CCCCNC(=O)Nc1ccccc1SC[C@H](C)C#N 264533031 KNDFSYGNTVCUNN-GFCCVEGCSA-N 291.420 3.860 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cn2)C1 617787367 MXQYTSXTHDFOKV-NSHDSACASA-N 298.308 3.529 30 20 CHED Cc1ccc2c(CC(=O)N[C@@H](C#N)C(C)(C)C)coc2c1C 267178393 BDWFQEGSMAQAEU-HNNXBMFYSA-N 298.386 3.647 30 20 CHED CC(C)C(NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(C)C 618821770 CWCMRRKCHATSRU-MRXNPFEDSA-N 299.418 3.525 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(Cl)ccc1C 454215781 ZTOGXWPSLSCYQP-OCCSQVGLSA-N 294.782 3.504 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H]1CCC[C@@H]1F)c1ccccc1 454693668 MLHLALCHLDZGEK-HRCADAONSA-N 290.382 3.884 30 20 CHED C=C(CC)CNC(=O)CCCCC(=O)c1ccc(C)cc1 456813040 OWCPGYUJAPOXBL-UHFFFAOYSA-N 287.403 3.821 30 20 CHED C=CCCc1noc([C@@H]2CCc3cc(C)ccc3O2)n1 453234537 LGFPMLQDTUFIKK-AWEZNQCLSA-N 270.332 3.563 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 272586699 NIJXLTGWIQFHTH-PBHICJAKSA-N 299.418 3.719 30 20 CHED Cc1cc(CN2CC(Cc3ccc(F)cc3)C2)ccc1C#N 618752766 ZSCJSLMPEVGUAS-UHFFFAOYSA-N 294.373 3.680 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H]1c1cccc(C)n1 368411165 NAUOLKBXEFLHCP-INIZCTEOSA-N 287.407 3.593 30 20 CHED C#CCCCC(=O)N(Cc1cccc(F)c1)C1CCCC1 277010403 LJFAGQZDFGSANT-UHFFFAOYSA-N 287.378 3.900 30 20 CHED C=CCOCc1nc(-c2ccc(O[C@@H](C)CC)cc2)no1 545749157 PPNDAUVOMDCFMG-LBPRGKRZSA-N 288.347 3.617 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C)(C)CC1 549271642 NUZSVGYGKKLRHE-AWEZNQCLSA-N 290.455 3.994 30 20 CHED CCC(CC)[C@H](NC(=O)CCCC#N)c1ccccc1 361571868 BDOKAXYAONKRRJ-KRWDZBQOSA-N 272.392 3.974 30 20 CHED C=CCN(C)C(=O)Nc1ccc(F)cc1OC(C)(C)C 275253469 QQLDOQGWBYAYBQ-UHFFFAOYSA-N 280.343 3.653 30 20 CHED C=CCC1(C(=O)N2[C@H]3CC[C@H]2CC(C)C3)CCCC1 620438154 QZHXQXNPIIFLEV-GJZGRUSLSA-N 261.409 3.912 30 20 CHED CCc1nsc(Oc2ccc(C#N)c3ccccc23)n1 549302529 QOSWVHJAXKBFRC-UHFFFAOYSA-N 281.340 3.918 30 20 CHED C=C[C@@H](CC(=O)N[C@@H]1CCOC2(CCC2)C1)c1ccccc1 270433896 XHLCWLRVWIIJNI-DOTOQJQBSA-N 299.414 3.564 30 20 CHED C=C(C)[C@H](Cc1nc([C@@H]2CCC[C@@H](C)C2)no1)OCC 273973439 QOLGDUUYFGZVPX-MCIONIFRSA-N 278.396 3.887 30 20 CHED C[C@H]1CCSCCN1CC#Cc1cccc(Cl)c1 621285632 FQOJYPKXEMSHFP-ZDUSSCGKSA-N 279.836 3.519 30 20 CHED C=CCN(C(=O)c1cc2ccccc2s1)C1CC1 271557959 RSCLQSCGEFIJDE-UHFFFAOYSA-N 257.358 3.692 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)NCC1CCC(C(C)(C)C)CC1 450147277 MZTQOAXHQKIWHS-VBRUCIBASA-N 276.424 3.505 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CCC)C(C)(C)C 453211547 KUHPPKWKZNHJSI-KKUMJFAQSA-N 253.430 3.772 30 20 CHED CC1=CCN(Cc2ccccc2C(C)(C)C#N)CC1 270127549 GNMLZZYUDUCTBH-UHFFFAOYSA-N 254.377 3.640 30 20 CHED CC[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 278383233 DGTMNVASYARSAP-IRXDYDNUSA-N 284.403 3.701 30 20 CHED C=CCCN(C)Cc1nc(-c2ccccc2)oc1C 276386661 ITQWXMKBTNQXPW-UHFFFAOYSA-N 256.349 3.658 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](COc2ccccc2)C1 275990178 MTDLSZLXLPLDMU-MAUKXSAKSA-N 287.403 3.516 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1c(C)cc(C)cc1C 467740391 MIPAXMRJCXGBCL-QGZVFWFLSA-N 259.393 3.830 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 468973239 PDZUCCBACCRUDV-GOSISDBHSA-N 297.354 3.745 30 20 CHED C[C@H]1CN(C(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1 377829204 QLUQPEOZMVANKN-SJCJKPOMSA-N 294.329 3.531 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(Cl)c1N(C)C 466367320 SHBDDMIFPWRLHI-NSHDSACASA-N 295.814 3.882 30 20 CHED C=CCC(CC=C)C(=O)N1CC=C(c2ccccc2)C1 378609793 VBPDGUBJLZXZME-UHFFFAOYSA-N 267.372 3.681 30 20 CHED CC#CCCCC(=O)NCc1cc(Cl)sc1Cl 466257607 RNDCAPXKPOPIDU-UHFFFAOYSA-N 290.215 3.865 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1ccc(SC)cc1 281971881 SWJOJEKWUMHZQB-CYBMUJFWSA-N 290.432 3.572 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2cc(F)ccc2C)no1 289982157 DLFCDEMWVFVLOM-INIZCTEOSA-N 290.338 3.664 30 20 CHED CC[C@H](C)CCC(=O)N[C@@H](C)c1ccc(C#N)cc1 285487770 OVWXSUDENFKZNG-STQMWFEESA-N 258.365 3.562 30 20 CHED CC[C@](C)(C#N)C(=O)NCC1(c2ccccc2)CCCCC1 552004981 NRSYMYJUEKCFKC-GOSISDBHSA-N 298.430 3.945 30 20 CHED C[C@H](c1cccc(C#N)c1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 550306180 TXZAHDWCXIJUCL-COWMOVNHSA-N 266.388 3.597 30 20 CHED C=CC[C@H]1N(C(=O)CCC(F)(F)F)CCCC1(C)C 470298134 LWPOIYJGPAFQHU-LLVKDONJSA-N 277.330 3.922 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 476026353 NEYCFYXEHQLCFF-LPHOPBHVSA-N 298.430 3.844 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 551310796 JFYGHHLUAQNWAB-YIYPIFLZSA-N 274.795 3.868 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc2c(cc1Cl)OCCO2 292620613 DILYHTDKUYLNAS-UHFFFAOYSA-N 295.766 3.652 30 20 CHED CCCCC[C@@H](NCCO[C@H](C)C#N)c1ccccc1 801937859 XKNVBMVUIMEILA-NVXWUHKLSA-N 274.408 3.826 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)[C@@H](C)C1CCCCC1 562036142 HJXSRGUBIXHEJH-KGLIPLIRSA-N 271.408 3.648 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCCc2ccc(SC)cc21 567869456 ALYSWYJYCRJUFS-SUMWQHHRSA-N 291.460 3.560 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(C)(CC(C)C)CC1 566759824 ZRQGSASXJYNDHC-CQSZACIVSA-N 266.429 3.809 30 20 CHED C=CCOCCSc1ncnc2sc(C)c(C)c12 292795574 VWESDNBZVCMREX-UHFFFAOYSA-N 280.418 3.603 30 20 CHED COc1ccc(C(=O)/C=C/c2cnccn2)c2ccccc12 809152106 CSKHAUHEUYPDNC-SOFGYWHQSA-N 290.322 3.535 30 20 CHED C=CCCCCCCNc1nn2cc(C)nc2s1 804851117 JKNFTTFQGJJGBD-UHFFFAOYSA-N 264.398 3.648 30 20 CHED CC(C)C1CCC(C=NN[C@H]2CCSC2)CC1 808000303 JAYGVQDYKLHYSW-RUXDESIVSA-N 254.443 3.530 30 20 CHED C#Cc1cc(F)c(NCCCOC(C)(C)C)c(F)c1 802744721 KQATWMBBIZBZFD-UHFFFAOYSA-N 267.319 3.563 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1noc2c1CCCC2 806552310 QWYHTVCDMWHEFX-IUXPMGMMSA-N 290.750 3.532 30 20 CHED N#Cc1ccc(CN(C#N)c2cccc(Cl)c2)c(F)c1 478762656 DUHRHFLJBGZGHZ-UHFFFAOYSA-N 285.709 3.838 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1oc(C(C)C)nc1C 297709148 MPNWKAPBUGQHOM-UHFFFAOYSA-N 291.395 3.699 30 20 CHED CC(C)Oc1nnc(S[C@H](C#N)c2ccccc2)s1 565549223 KCMDJKJMKJGCFP-LLVKDONJSA-N 291.401 3.682 30 20 CHED CC(C)Oc1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 296113774 NUKARBGYSKKJDW-GOSISDBHSA-N 298.386 3.886 30 20 CHED C=CCCCCNC(=O)Nc1nc2ccsc2s1 473702112 UXWHSXAJHUEBBJ-UHFFFAOYSA-N 281.406 3.836 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)N1CCC(CCC#N)CC1 566149553 IULCFKZTZJRYLT-HOCLYGCPSA-N 291.439 3.538 30 20 CHED C=C(C)C[C@@H](C)C(=O)N(C)Cc1cc(F)cc(F)c1 470085813 IAQNIWWRZHWYJB-LLVKDONJSA-N 267.319 3.526 30 20 CHED Cc1nocc1CNc1ccccc1SC[C@@H](C)C#N 568258167 BUKPAASIKSOWBV-NSHDSACASA-N 287.388 3.847 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@H]2CCCF)o1 800811175 KDMHUDRJQNEQFL-NSHDSACASA-N 292.358 3.987 30 20 CHED C=CCC1(NCc2cnc3ccccn23)CCCCC1 648777349 HHVRBQLLIIVJFA-UHFFFAOYSA-N 269.392 3.703 30 20 CHED C=CC[C@@H](CC)NC(=O)C1CC(c2ccc(F)cc2)C1 644682010 ASHJZIDGFUAVOT-ZBCRRDGASA-N 275.367 3.790 30 20 CHED CC(C)CO[C@H]1CC(=NN[C@@H](C)c2ccncc2)C1(C)C 819815280 OQMOERYRYRXHOT-BBRMVZONSA-N 289.423 3.559 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1ccc(F)cc1F 819819250 VGNNLDASPWDYQS-NSHDSACASA-N 289.329 3.825 30 20 CHED CC(=NNc1cccc2cnccc12)c1cccc(CO)c1 814836355 NVBAEXMKQPFRKU-UHFFFAOYSA-N 291.354 3.563 30 20 CHED C=CCCCC(=O)NC[C@H]1CCCCC(F)(F)C1 569369637 OQJDNUJXKAERFP-LBPRGKRZSA-N 259.340 3.675 30 20 CHED CC[C@@H](OC(=O)CCCC#N)C(C)(C)c1ccccc1 813015015 ADHOAYRSCVDCDJ-OAHLLOKOSA-N 273.376 3.980 30 20 CHED C=CCC1(NCc2cc(C)cc(Cl)c2)CCOCC1 657634736 PMQJSRGBQZMFSK-UHFFFAOYSA-N 279.811 3.863 30 20 CHED C=CCCCCCN(C)C(=O)c1ccnn1C1CCCC1 482099297 UZCWPVUPTRNLQY-UHFFFAOYSA-N 289.423 3.817 30 20 CHED CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C 576389851 GPUOMQPLUGHYBG-HOTGVXAUSA-N 256.393 3.960 30 20 CHED CCC1(CNC[C@H](O)c2ccc(C#N)cc2)CCCCC1 819235631 RMABZNBGXBOPSN-KRWDZBQOSA-N 286.419 3.542 30 20 CHED C#CCN(CC)C(=O)C1(Cc2cccs2)CCCCC1 810480124 XXKYAGOXVVLHDQ-UHFFFAOYSA-N 289.444 3.723 30 20 CHED C=CC[C@H](CC)NC(=O)N(C[C@H]1CCC[C@H](C)C1)OC 812210160 JVIXUHYNULBCNU-KKUMJFAQSA-N 282.428 3.740 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(OC)c(O)c1 811699080 PRVDZYJDCSMZFL-NTMALXAHSA-N 298.338 3.696 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1cc2cccc(F)c2o1 573417801 GJDAPOLCRVJCDP-VXGBXAGGSA-N 285.322 3.666 30 20 CHED C=CCCCCOC(=O)c1[nH]c(-c2ccccc2)nc1C 811008871 NDTJZCUDUUCCCM-UHFFFAOYSA-N 284.359 3.898 30 20 CHED C=C(C)COCCNCCCc1c(F)cccc1Cl 579077157 KYDVIPDDMGIABB-UHFFFAOYSA-N 285.790 3.594 30 20 CHED C1CCC2(C1)CCC(=NNC[C@H]1CCSC1)CC2 811658745 JJSDIHYNOUCNKR-CYBMUJFWSA-N 266.454 3.820 30 20 CHED C=CCN(C(=O)[C@H](Cc1ccccc1)C(C)C)C1CC1 573644798 DMWVKQPLTITBMD-QGZVFWFLSA-N 271.404 3.678 30 20 CHED CC[C@H]1CN(Cc2ccc(C#N)s2)c2ccccc2O1 484757769 YLIQPSKPFWEGEH-LBPRGKRZSA-N 284.384 3.797 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 486467008 XYTMHZCGUNXVAS-HNNXBMFYSA-N 297.402 3.605 30 20 CHED CC1(C)CCN(C(=O)c2ccc(C#N)cc2)c2ccccc21 577441870 KOTZFCMQIRAZPM-UHFFFAOYSA-N 290.366 3.886 30 20 CHED CC(=O)Nc1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1 729151627 UQXNXDOGCVDYBS-XNTDXEJSSA-N 291.350 3.776 30 20 CHED C#CCCOC(=O)CCCOc1ccc(C(C)(C)C)cc1 727044162 YSSLWNLAIQWROW-UHFFFAOYSA-N 288.387 3.710 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)c1ccc(C#N)s1 487258184 VHTOXQXBXCFGER-NSHDSACASA-N 276.405 3.708 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccc(C#N)s2)cc1 486779979 PFFXWYBRLOPHNQ-UHFFFAOYSA-N 286.356 3.659 30 20 CHED N#Cc1ccc(NN=Cc2ccco2)cc1C(F)(F)F 726425815 IRMXXFLUMOUVKQ-UHFFFAOYSA-N 279.221 3.616 30 20 CHED CCCCCC(C)=NNc1cnc2ccccc2n1 727256677 SVLPWKRTBYHNBB-UHFFFAOYSA-N 256.353 3.998 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(C(F)F)cc2)cc1 726495841 NNVGZKRMNYHXOF-UHFFFAOYSA-N 273.238 3.715 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CCCSC1)c1ccccc1 577835335 WKYOALIKIJIROF-HOTGVXAUSA-N 289.444 3.748 30 20 CHED C[C@](C#N)(NC(=O)/C=C/c1ccsc1)C1CCCCC1 492913647 RDLIPHVYBXWVIM-KXPUMZMLSA-N 288.416 3.740 30 20 CHED Cc1ccccc1[C@H](NC(=O)C#Cc1cccs1)C1CC1 825869342 YQDQVYWPBHXVJO-GOSISDBHSA-N 295.407 3.676 30 20 CHED C=C(C)Cn1cc(Br)c(C(C)(C)C)n1 664048716 OSKRWBQVZMLCGA-UHFFFAOYSA-N 257.175 3.519 30 20 CHED C=CCC1(N[C@@H]2CCCCC[C@@H]2C)CCOCC1 668551483 OIKOEEIAEXQBCP-LSDHHAIUSA-N 251.414 3.670 30 20 CHED C#Cc1cccc(N(CC)C(=O)/C=C/c2ccsc2)c1 728480885 SXJMBQUDQLJPIV-CMDGGOBGSA-N 281.380 3.796 30 20 CHED N#Cc1ccc(-c2ccn(Cc3ccc(Cl)nc3)n2)cc1 729239502 DCZVZZMYLGTURH-UHFFFAOYSA-N 294.745 3.518 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2CC23CCSCC3)c1 823083766 GWAZJJJKEMAHSP-MRXNPFEDSA-N 299.439 3.554 30 20 CHED CCC/C(C)=C/C(=O)N(CCC#N)CCC(C)C 728871480 SSFWFJHSRVUCEL-WYMLVPIESA-N 250.386 3.521 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)on1 821021592 IYWUOYXOVGKYKA-HYXAFXHYSA-N 298.125 3.886 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(NC(=O)COC)cc1 823524296 VRPHGDYGYIKOMQ-AWEZNQCLSA-N 290.407 3.818 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC[C@@H]3C[C@H]23)c1 825291309 JJIOCNXPPMGWNR-LMSBXDPUSA-N 284.403 3.646 30 20 CHED O=C1/C(=C\c2cccc(O)c2)COc2ccc(Cl)cc21 588425800 NIYLZIGRFXGLQG-WDZFZDKYSA-N 286.714 3.704 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)CCCCCC#N 588298133 JFIKJTBOIPJSOC-GFCCVEGCSA-N 264.394 3.742 30 20 CHED N#Cc1ccnc(CSCC[C@@H]2CC2(Cl)Cl)c1 901800586 UISWHMNLFCRVNI-SNVBAGLBSA-N 287.215 3.770 30 20 CHED Cc1coc(C(=O)N(O)Cc2cccc3ccccc23)c1 901371095 LPAZMGBUEARCBK-UHFFFAOYSA-N 281.311 3.773 30 20 CHED CCOc1cccc(/C=N/C[C@@H]2CCc3ccccc32)c1O 731937674 MNQPERSRSHXBSK-NPRIEWAGSA-N 295.382 3.940 30 20 CHED CCCCCCCCCN(C)C(=O)Cc1nnc(C)s1 823169075 VEMDRPJMVDFEKZ-UHFFFAOYSA-N 297.468 3.598 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(C2=CCCC2)cc1 582759700 JHPCHGYOSFDKLD-MRXNPFEDSA-N 268.360 3.676 30 20 CHED CCCC[C@@H](C)C(=O)N(CC)c1ccc(C#N)cc1 499888655 SBLKRQNQASVQPD-CYBMUJFWSA-N 258.365 3.737 30 20 CHED N#CC1(CCCCn2ccc(=O)c3sccc32)CCC1 901495804 AGLPEDDRPWEYKO-UHFFFAOYSA-N 286.400 3.927 30 20 CHED CCc1ccc(C=NNc2nc(-c3ccccc3)no2)s1 731153375 IVNNBLUDRVSLEX-UHFFFAOYSA-N 298.371 3.807 30 20 CHED C[C@H]1CN(C(=O)CCCCCC#N)c2ccccc2S1 588941597 ANGHGPBYPLYIBI-ZDUSSCGKSA-N 288.416 3.988 30 20 CHED C=C(C)CN(C)Cc1c(OC)ccc2ccccc12 497101806 YZKGMJDRAIBGBU-UHFFFAOYSA-N 255.361 3.856 30 20 CHED COc1ccc(C=NNc2c(F)cccc2F)cc1C 735615659 QYTNVSBYTNXRCS-UHFFFAOYSA-N 276.286 3.728 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccccc2F)cc1 733323345 VHZYUCHIDFVWGR-CQSZACIVSA-N 283.346 3.689 30 20 CHED Cc1cccc2c1C/C(=C\c1cncn1C(C)C)C2=O 901472600 NOAZTGMNBVLBQP-NTUHNPAUSA-N 266.344 3.595 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ncc(Cl)s2)c1 586787786 OWQZTWPNGXAVGB-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CC#CCCNC(=O)Nc1cc(C(F)F)ccc1Cl 497442114 NZJVFKGWSFSURZ-UHFFFAOYSA-N 286.709 3.813 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)NCC(C)(C)CC#N 837887513 DTRHEZXOXPVBKV-XFXZXTDPSA-N 290.794 3.799 30 20 CHED C=CCN(C(=O)Nc1ccccc1C(F)F)[C@H](C)COC 667275469 JZUNAVDNNGFXFL-LLVKDONJSA-N 298.333 3.679 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C/c1ccco1 732644265 QBUJRORWYUQKOJ-ZHACJKMWSA-N 273.376 3.888 30 20 CHED C=C(Cl)COC(=O)c1cc2c(C)c(C)ccc2[nH]1 735162021 KHVQMZDCFTXOIR-UHFFFAOYSA-N 263.724 3.694 30 20 CHED CCO[C@@H](c1noc(-c2cc(C#N)ccc2C)n1)C(C)C 904130608 NQWPLHCQFZZPDT-CQSZACIVSA-N 285.347 3.650 30 20 CHED C=CCC1(C(=O)OCc2cnoc2C2CC2)CCCC1 838279676 IWMIQHMAPKUZNB-UHFFFAOYSA-N 275.348 3.732 30 20 CHED CC(C)(C)SCCCC(=O)O[C@H]1CCC[C@@H](C#N)C1 839054876 MFAJVIBZQGNMCH-OLZOCXBDSA-N 283.437 3.924 30 20 CHED C#CCCCC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 837258191 JMPIIDWXRSDZPG-GOSISDBHSA-N 281.399 3.934 30 20 CHED Cc1ccc(C[C@@H]2CCCN(CC3(C#N)CC3)C2)cc1 582683131 MKVDUUZWZSPOHC-KRWDZBQOSA-N 268.404 3.553 30 20 CHED CCC#C[C@@H](C)N(C)Cc1csc(Br)c1 677048217 QCNSHZGIRZRBJF-SNVBAGLBSA-N 286.238 3.744 30 20 CHED Cc1oc2ccccc2c1CN1CCC[C@@H](CC#N)C1 597177574 PKNUCSRMJNNNHD-AWEZNQCLSA-N 268.360 3.867 30 20 CHED N#CCCCCNC(=O)c1coc2ccc(Cl)cc12 593051978 RXONPVQBVOQDAN-UHFFFAOYSA-N 276.723 3.510 30 20 CHED CCOC1CC(CSCCc2ccc(C#N)cc2)C1 596361591 WBQMSLHPIFOVCG-UHFFFAOYSA-N 275.417 3.649 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC[C@H](Nc2ccccc2)C1 595383893 PZFMBNNLEHRDFH-OALUTQOASA-N 291.398 3.828 30 20 CHED C=CCN(C(=O)Nc1cc(C)ccc1F)C(C)C 916707868 ZKKFTCGNLRVDNS-UHFFFAOYSA-N 250.317 3.562 30 20 CHED C=C(CNC(=O)[C@H](C)c1ccccc1F)c1ccccc1 672481954 IWHZBZNJJWXHQX-CQSZACIVSA-N 283.346 3.759 30 20 CHED CCC(=NNC(=S)Nc1c(C)cccc1C)C1CC1 741161147 JAQFYYOEPFJVON-UHFFFAOYSA-N 275.421 3.766 30 20 CHED Clc1ccc(C=NNc2nc3ccccc3s2)cn1 748779342 ZQYRJJHUBQHDMS-UHFFFAOYSA-N 288.763 3.791 30 20 CHED Cn1ccc2cccc(NC(=O)CC3(C#N)CCCCC3)c21 597553804 PFWCTVYXHHWJJR-UHFFFAOYSA-N 295.386 3.981 30 20 CHED CC#CCOC(=O)c1cccc(Oc2ccccc2)c1 744473446 BVOIECWPTPNOGT-UHFFFAOYSA-N 266.296 3.659 30 20 CHED COCc1csc(CNc2cccc(C#N)c2C)c1 594954697 LQOGJRLPDUBHRN-UHFFFAOYSA-N 272.373 3.687 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CCC[C@@H](SC)C1 596316994 LEQWZAZQGGVFNO-QWHCGFSZSA-N 284.469 3.705 30 20 CHED CCC(CC)(C/N=C/c1cc([N+](=O)[O-])ccc1O)SC 743044026 CSQQFYGQMOUXOS-OQLLNIDSSA-N 296.392 3.641 30 20 CHED Cc1ccc(CN(CC(C)C)C(=O)CCCC#N)c(C)c1 592671025 LZBQQUSBTYXTOE-UHFFFAOYSA-N 286.419 3.982 30 20 CHED Clc1ccc2c(c1)CC(=NNc1nc3ccccc3[nH]1)C2 743421895 KYYMDIDOQSNUHG-UHFFFAOYSA-N 296.761 3.783 30 20 CHED C#CCCCNC(=O)N[C@@H](c1cccs1)C(CC)CC 745703793 QSQJFMGANATFBD-OAHLLOKOSA-N 292.448 3.938 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccc(CC(=O)O)cc1 848414882 SOQKUIZDNKBNHK-OCCSQVGLSA-N 274.364 3.538 30 20 CHED C=CCCOCC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 682012828 SSNRFENDJBUFEM-CABCVRRESA-N 281.440 3.690 30 20 CHED CC(=NN=C(Cc1ccc(C)cc1)C(C)C)c1cnccn1 745206356 ACMLIQAEENACMN-UHFFFAOYSA-N 294.402 3.849 30 20 CHED COCc1cccc(/C=C/C(=O)c2coc(C(C)C)n2)c1 844552927 OEMRKCPXXWFVMK-BQYQJAHWSA-N 285.343 3.841 30 20 CHED CC1(C)CN(Cc2ccccc2C#N)[C@H]1c1ccncc1 590372118 WNZHLRLXBBEQJU-KRWDZBQOSA-N 277.371 3.536 30 20 CHED CCCON=C(C)c1[nH]c(-c2ccccc2)nc1C 842565913 QDJSXMOZOMXPCD-UHFFFAOYSA-N 257.337 3.536 30 20 CHED Cc1cc(NCCC[C@@H]2CC2(Cl)Cl)cc(C#N)n1 845746006 HMHSSKZGVBGEGJ-SNVBAGLBSA-N 284.190 3.648 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 594084874 FFZMFAKWZXYGKS-IUODEOHRSA-N 292.810 3.669 30 20 CHED C[C@H]1CC[C@@H](C)CC1=NNc1ccc(CC(=O)O)cc1 848413900 FAFKJXYGTDXYCK-NEPJUHHUSA-N 274.364 3.538 30 20 CHED CCCCCC[C@@H](C)C(=O)NCc1cc(C#N)ccc1F 742733737 SPWRXRPAQBVTBS-CYBMUJFWSA-N 290.382 3.920 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)cs1 757966554 FULMKPJRWZPDPY-UHFFFAOYSA-N 290.775 3.545 30 20 CHED Cc1ccc(-c2ncco2)cc1N=Cc1cccc(O)c1O 759037629 YZFRGUUGMSQVAB-UHFFFAOYSA-N 294.310 3.812 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)CCCO2 850475216 VHBITUNNYMCKSS-ZDUSSCGKSA-N 272.392 3.602 30 20 CHED Fc1cc(F)cc(C=NNc2cccc3cnccc23)c1 755697596 FZZIYCVTZCLHKJ-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@@H]1CCO[C@H](CC)C1 851300487 URFQKCHYAJHJDI-ZIAGYGMSSA-N 268.397 3.727 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(F)cc2C#N)s1 754667099 DBFYXKMYKYANNO-LLVKDONJSA-N 274.364 3.918 30 20 CHED C[C@H](CC(C)(C)C#N)NC1(c2ccccc2)CCC1 925779120 LQCKYFIQCPCBLO-CQSZACIVSA-N 256.393 3.984 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CC[C@@H](C)C3)[nH]c12 759554759 KDUQUXBKMOTSER-KWCYVHTRSA-N 295.386 3.874 30 20 CHED N#CC1(c2cccc(-c3cnn([C@@H]4CCCCO4)c3)c2)CC1 854210797 SIMKISAHBPMHKE-KRWDZBQOSA-N 293.370 3.804 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(C)s1 853002790 WBJREIPYXIFBNI-WAYWQWQTSA-N 260.362 3.559 30 20 CHED CCCC1CCC(C=NNc2oc(C)nc2C#N)CC1 755660223 FIZLGIIWVWPXJB-UHFFFAOYSA-N 274.368 3.859 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 757896916 AMWAISDQDAIEMO-JTQLQIEISA-N 284.186 3.974 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CC1(Cl)Cl)c1ccccc1 758303387 QZTASPXDVCGJTQ-YPMHNXCESA-N 298.213 3.656 30 20 CHED CCn1nccc1C=NN[C@H](C)c1ccc(C(C)C)cc1 753698080 UNBBRKQCVCOUOE-CQSZACIVSA-N 284.407 3.711 30 20 CHED C=CCC1(CNC(=O)Nc2ccc(N)c(C)c2)CCCC1 850769806 RXBJGCIOLOKJGO-UHFFFAOYSA-N 287.407 3.835 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccc2c(c1)OCO2 755571090 VPABNBOIOMWJCV-HNQUOIGGSA-N 288.249 3.590 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2cccc(F)c2)o1 920383991 LYIKGCDAWJJOEE-YGRLFVJLSA-N 258.296 3.988 30 20 CHED C#CC[C@H](NC(=O)Nc1cccc(C)c1)c1ccccc1 756922284 OLEISVBYWIVHDR-KRWDZBQOSA-N 278.355 3.881 30 20 CHED C=CC[C@H]1CCCC[C@H]1NC[C@H](O)c1ccc(F)cc1 850465380 BXSRYGYIWIUXHQ-XKQJLSEDSA-N 277.383 3.584 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)CCN3C)ccc1O 751535230 MWYUWSOFYOOSHW-DAXSKMNVSA-N 293.366 3.589 30 20 CHED C[C@@H](NCCCSCC#N)c1nc2ccccc2s1 754708185 YSRBQSPWWXWMFN-LLVKDONJSA-N 291.445 3.594 30 20 CHED COc1cccc2cc(C(C)=NNc3cc(C)ccn3)oc12 755906632 OLZFMRVPHJQCNX-UHFFFAOYSA-N 295.342 3.981 30 20 CHED Cc1cc(OC(=O)[C@H]2CCC(C)(C)C2)ccc1C#N 765117404 FFUCYAMVIOTZPA-LBPRGKRZSA-N 257.333 3.598 30 20 CHED COc1cc2c(cc1/C=C/C(=O)c1occc1C)O[C@H](C)C2 769784517 XUYWTLBMEMUHOR-ZYOFXKKJSA-N 298.338 3.816 30 20 CHED CCC[C@H](C(=O)OCc1cc(F)ccc1C#N)C(C)C 763849429 HMVHHHLAVWJEON-HNNXBMFYSA-N 277.339 3.813 30 20 CHED CC(=NN=C(C)c1cnccn1)c1cccc(C(C)C)c1 863097844 QPRANIKKYIOQGY-UHFFFAOYSA-N 280.375 3.833 30 20 CHED CCC(CC)[C@@H](C)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 762019820 YNRGPAUVASQWBI-YPMHNXCESA-N 283.375 3.811 30 20 CHED C#CCN(C(=O)NCC(CC)(CC)c1ccccc1)C1CC1 764734798 OQRRCCRQWZKXHF-UHFFFAOYSA-N 298.430 3.552 30 20 CHED CC(C)c1ccc2c(c1)C(=NOCC(F)(F)F)CCO2 764845293 RZLJYOSJDOEBDY-UHFFFAOYSA-N 287.281 3.876 30 20 CHED CCCCCC1=CCCC1=NNc1nccnc1OC 763421502 ARYAHBSHFMTTLK-UHFFFAOYSA-N 274.368 3.554 30 20 CHED CC(=NNc1nccc2sccc12)c1cnc(C)s1 761259929 AVJAJWLSTUBCLR-UHFFFAOYSA-N 288.401 3.897 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cnc2ccc(Cl)cn12 769783915 JOPNCDNQCIQQIC-ONEGZZNKSA-N 286.718 3.785 30 20 CHED Cc1cc(OC(=O)[C@H](C)C2CCCC2)ccc1C#N 765091806 MQXXIRFYMMHZGN-GFCCVEGCSA-N 257.333 3.598 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccc(Cl)cc2)nn1 1116087180 FTFMMSZPKOZAJD-UHFFFAOYSA-N 288.782 3.874 30 20 CHED CC[C@H](C(=O)N[C@@H](C#N)C1CCCC1)c1ccc(F)cc1 1119446787 XNMYYTWQZFEGKK-HOTGVXAUSA-N 288.366 3.518 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cccc(F)c1C#N 768875011 CQAZVKJKLVWLGC-UHFFFAOYSA-N 288.322 3.574 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1ccc(C#N)cc1F 773126181 UNJGJCPDPVRFMS-OAHLLOKOSA-N 273.355 3.590 30 20 CHED Cc1cc(F)ccc1C(=O)OCc1ccc(F)c(C#N)c1 771403608 TZVGCXHRDKTHES-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cc(Cl)ccc1F 875336310 OTUDWFMDDQDRDQ-UHFFFAOYSA-N 269.703 3.714 30 20 CHED Cc1cc2occ(C(=O)OC3(C#N)CCC3)c2cc1C 770888220 JUKIODOUQVMOHE-UHFFFAOYSA-N 269.300 3.653 30 20 CHED C/C(=C/C(C)(C)C)c1nnc(COc2ccc(C#N)cc2)o1 1118422938 AXZGBXKCCRJWNP-XFXZXTDPSA-N 297.358 3.970 30 20 CHED C=CCCOCCCCC(=O)NC1CCCCCCC1 775637563 RMXHGBGRZFKDOY-UHFFFAOYSA-N 281.440 3.979 30 20 CHED C[C@H]1CC(=NNc2ccc(C(C)(C)C)nn2)CC[C@H]1C 1116635309 SYCGAARZYOORIJ-NEPJUHHUSA-N 274.412 3.998 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(-n2ccnc2)cc1 777456433 ZALFHBUGKDFDSF-UHFFFAOYSA-N 297.280 3.565 30 20 CHED CCCCC[C@H](CC)C(=O)N(CCC#N)CC(F)(F)F 775764911 LLIDSOZLWQKEGA-LBPRGKRZSA-N 292.345 3.897 30 20 CHED CCSc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 883245259 IDNDDRCSVWPKDZ-KBPBESRZSA-N 260.406 3.580 30 20 CHED COc1ccccc1-c1ccc(NCC(C)(C)CC#N)nn1 1120856491 FUFIRNYKTWECGL-UHFFFAOYSA-N 296.374 3.504 30 20 CHED COc1cccc(C=NOC2CCCCC2)c1OC(F)F 777460369 XJNREWHHOZYUSW-UHFFFAOYSA-N 299.317 3.980 30 20 CHED C[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1ccsc1 776385708 HHQHNAWSWLQSDN-FZMZJTMJSA-N 277.389 3.867 30 20 CHED CON=Cc1ccc(C(=O)O[C@@H](C)c2ccccc2)cc1 770269044 OJOZRUZIRPNJDM-ZDUSSCGKSA-N 283.327 3.585 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)C1(C#N)CCCC1 1129734010 NEBBIOSLNJASMQ-CABCVRRESA-N 276.424 3.793 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc(SC)ccc1Cl 1121252755 HYPWOEBJWBLFIG-SNVBAGLBSA-N 296.823 3.826 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1cnc(Cl)cc1C#N 1121209892 OINCQGZKWUCDKA-SNVBAGLBSA-N 279.771 3.617 30 20 CHED C=C(C)CNC(=S)N1CCc2c(cccc2C(C)C)C1 788685169 LWXVBYRTVAOXKT-UHFFFAOYSA-N 288.460 3.619 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(Cl)c2Cl)n(C)n1 789159622 OUALYVDLGWSXGB-VOTSOKGWSA-N 295.169 3.931 30 20 CHED Cc1ccc(Cl)c(N)c1C(=O)OCCCC(C)(C)C#N 784215432 NIJZIFFMRUDCTK-UHFFFAOYSA-N 294.782 3.717 30 20 CHED C#CCC1(OC(=O)c2cc(C)nc3ccccc23)CCC1 788071360 HIQFERCSSZGYPU-UHFFFAOYSA-N 279.339 3.646 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1cccc(OCC)c1 782410645 YCIMVEKWXLMUIJ-AWEZNQCLSA-N 290.432 3.823 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)NC(=O)C3)CCCCC1 895334491 NKNDICAWEXIEAF-UHFFFAOYSA-N 298.386 3.646 30 20 CHED Cc1cccc(O[C@H](C)C(=O)OCCCC(C)(C)C#N)c1 782371406 HBKNBQFNGOETQR-CQSZACIVSA-N 289.375 3.636 30 20 CHED C[C@@H](OC(=O)c1ccnc(C2CC2)c1)c1cccc(C#N)c1 783367671 MDHGJKGJZPHRMT-GFCCVEGCSA-N 292.338 3.749 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 783307668 RSEYFTUBSXVQCW-LSDHHAIUSA-N 296.455 3.720 30 20 CHED CCCC[C@@H]1CCCC1=NNCCc1ccncc1 789094702 WGIXKOVOGJRFKI-OAHLLOKOSA-N 259.397 3.560 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cc(C(=O)O)cs1)C2=O 782199179 CNNSUCUYLFWNAW-WDZFZDKYSA-N 284.336 3.577 30 20 CHED CCCCOc1ccc(C(=O)/C=C\c2cnn(CC)c2)cc1 789157900 QMKTWINEALPSNG-WDZFZDKYSA-N 298.386 3.978 30 20 CHED Cc1cccc(C(=O)/C=C/c2cnn(C3CCC3)c2)c1 899340495 DOQNPZVSIDYCNP-CMDGGOBGSA-N 266.344 3.813 30 20 CHED C=CCCCCCOC(=O)c1ccnc(Br)c1 784157836 OEBRLRPBAUFJNV-UHFFFAOYSA-N 298.180 3.747 30 20 CHED CC(=NNCc1ccccc1)c1ccc(C#N)cc1Cl 788420452 WCTPAPIHVHTGAZ-UHFFFAOYSA-N 283.762 3.725 30 20 CHED C[C@H](CCOCc1ccccc1)NCC(C)(C)CCC#N 389916985 NTWRNBFFRONOHV-MRXNPFEDSA-N 288.435 3.901 30 20 CHED CCCCCCCCN1CCSC[C@@H]1c1cnn(C)c1 792415061 JUFXWXPOUNYDEW-MRXNPFEDSA-N 295.496 3.871 30 20 CHED Cc1cccnc1NN=Cc1cc(Cl)ccc1F 790193111 TVOINRNWVUSNMJ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCCCCC[C@@H](C)NCc1cn2ccccc2n1 793513456 BQVPKOXWGLUJPD-OAHLLOKOSA-N 271.408 3.949 30 20 CHED C[C@H](C#N)OCCOc1ccc(SC(F)(F)F)cc1 795247670 VXVRFDQWVSMQQW-SECBINFHSA-N 291.294 3.606 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1ccc2ccccc2c1 795721463 WYGYCPGIBBVCCI-ZDUSSCGKSA-N 270.328 3.726 30 20 CHED N#CCCCOc1ccc(SC(F)(F)F)cc1 795268024 QIMOQAFEUNOIOG-UHFFFAOYSA-N 261.268 3.981 30 20 CHED N#Cc1cccc(Br)c1NCc1ccccc1 1306913614 CBYRKEDXYYJFCD-UHFFFAOYSA-N 287.160 3.933 30 20 CHED C[C@H]1CCC(=NNc2cccc(Cl)n2)C[C@H]1C 793176183 ZMPYWYDUKCTQKB-VHSXEESVSA-N 251.761 3.959 30 20 CHED Cc1cc(CNc2ccc(F)c([C@H](C)O)c2)ccc1C#N 796518780 LCDUHALGCDCHER-LBPRGKRZSA-N 284.334 3.671 30 20 CHED COc1ccccc1CON=C(C)c1ccc(C)cc1OC 799119352 KQGBEQADAICHDO-UHFFFAOYSA-N 299.370 3.953 30 20 CHED Cn1cc(C=NOC2CCCC2)c2cc(F)ccc21 794857546 JCGAZFBHNCAZLE-UHFFFAOYSA-N 260.312 3.611 30 20 CHED CC(C)C(=NNc1ncncc1F)C1CCCCC1 793199174 KFSVDOJOSODHQQ-UHFFFAOYSA-N 264.348 3.620 30 20 CHED CSc1ccc(C(C)=NNc2cccc(F)n2)cc1 795010081 WCEGDGLBQONTJO-UHFFFAOYSA-N 275.352 3.779 30 20 CHED Cc1ccc(C#N)cc1NCc1c(O)ccc(Cl)c1F 792173991 NPXFVHKXICLWIE-UHFFFAOYSA-N 290.725 3.977 30 20 CHED N#CCCCCOC(=O)CC1CC(c2ccccc2)C1 798733042 GTLCCYKIBUIGGN-UHFFFAOYSA-N 271.360 3.807 30 20 CHED C#CCN(C(=O)c1occc1C(C)C)C1CCCCC1 790370884 QAQNNMQXUHETNC-UHFFFAOYSA-N 273.376 3.811 30 20 CHED C#C[C@@H](/N=C\c1ccccc1O)c1ccc(Cl)cc1F 794675524 CUVVTTBPNZCZSB-SMLKNPDNSA-N 287.721 3.978 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C[C@H]1CCCSC1 794936675 DGTWPCDGFJVAMM-SNVBAGLBSA-N 298.843 3.794 30 20 CHED CC(C)[C@@H]1CN(c2ccnc(C#N)c2)c2ccccc21 1163205172 KKVJSSBVSQOIIJ-INIZCTEOSA-N 263.344 3.845 30 20 CHED Cc1nc(N(C)CCCc2ccccc2)c(Cl)cc1C#N 1166557358 YXTRSQYFJFGUSC-UHFFFAOYSA-N 299.805 3.984 30 20 CHED CC(C)(C)c1ccc(NN=C[C@H]2CC=CCC2)nn1 1318580103 KDWNNWBNQPJKJQ-LBPRGKRZSA-N 258.369 3.528 30 20 CHED C[C@@H](CCC1CC1)NC1CC(C#N)(c2ccccc2)C1 398050370 ADMACVNDYWNZHE-NNGSBXSVSA-N 268.404 3.779 30 20 CHED C#CCCCc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 1327028052 OMHVAIBZVAEDRV-LLVKDONJSA-N 286.400 3.879 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1ccnc(C)n1 1320728608 YPKXAOWTQILCFK-UHFFFAOYSA-N 268.364 3.546 30 20 CHED C#Cc1cccc(N(C)C(=O)CCC2CCCCC2)c1 728481995 ANDJELNWZXOPTO-UHFFFAOYSA-N 269.388 3.991 30 20 CHED COc1ccccc1C(C)(C)CNc1cccc(CC#N)n1 1325710940 YRYQECXABGOBKJ-UHFFFAOYSA-N 295.386 3.546 30 20 CHED N#CCOc1ccc(N[C@@H]2CCCOc3ccccc32)cc1 1320670427 UIOXAKYZNGXPPM-QGZVFWFLSA-N 294.354 3.915 30 20 CHED Cc1nc2c(s1)[C@@H](Nc1ccc(OCC#N)cc1)CCC2 1324966884 UTZVWXGJYWMCAE-HNNXBMFYSA-N 299.399 3.843 30 20 CHED CCc1ccc(-c2n[nH]c(S[C@@H]3CC[C@H](C#N)C3)n2)cc1 1328002272 UVBPWYAYOSBWCK-GXTWGEPZSA-N 298.415 3.818 30 20 CHED C=CCCCC(=O)Nc1cc(C)c(Br)c(C)n1 1254428741 LHXDSIOOLYSEJF-UHFFFAOYSA-N 297.196 3.756 30 20 CHED Cc1ccc([C@@H](C)Nc2cccc(CC#N)n2)s1 1255096730 WKUIRRRIONAARZ-LLVKDONJSA-N 257.362 3.691 30 20 CHED C#CCCN(Cc1cc(Br)ccc1F)C(C)C 760819282 HVLWJSZBQMUMPE-UHFFFAOYSA-N 298.199 3.822 30 20 CHED N#Cc1cccc(-c2nnc(C=C3CCCC3)o2)c1 1257950784 FHARIFMTWPBDDD-UHFFFAOYSA-N 251.289 3.566 30 20 CHED C=C(C)CCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 1337151468 LUIFZSTWURVVPT-UHFFFAOYSA-N 283.375 3.746 30 20 CHED CCCOc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1C 1180306125 SILYYSNWNAZWQY-SFHVURJKSA-N 286.419 3.910 30 20 CHED Cc1cc(F)ccc1CCNc1cccc(F)c1C#N 94956781 NNJFIRYJQWUITB-UHFFFAOYSA-N 272.298 3.800 30 20 CHED C[C@@H]1c2ccc(Cl)n2CCN1Cc1ccccc1C#N 787654358 RJFOFDMJHCGRGO-GFCCVEGCSA-N 285.778 3.590 30 20 CHED C#CCCCCC(=O)N(C)C1CCC(CCC)CC1 791848442 JCJSZPBSXGITBM-UHFFFAOYSA-N 263.425 3.997 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](COc3ccccc3)C2)CC1 1331288796 NKBUMDNAPPVSQH-INIZCTEOSA-N 299.414 3.660 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2cccc(OCC#N)c2)C1(C)C 1262364755 HFJUOBCXSQSMKR-HOTGVXAUSA-N 288.391 3.593 30 20 CHED CS[C@@H](C)[C@H](C)OC(=O)CC1(C#N)CCCCC1 1263478676 FOBQBZXKNAZOIF-RYUDHWBXSA-N 269.410 3.534 30 20 CHED Cc1csc(NC(=O)N[C@H]2CC[C@H](C)CC2)c1C#N 1191787222 XPYAHMSTLVGVGN-HOMQSWHASA-N 277.393 3.628 30 20 CHED C=CCCCCOC(=O)Cc1coc(-c2ccccc2)n1 1348033577 YJRVYXQHOOKSPI-UHFFFAOYSA-N 285.343 3.784 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)/C(C)=C\c1ccc(C)cc1 1340891217 HBFWEPFKOQAXSU-QBOMHBFWSA-N 270.376 3.549 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2cccc(F)n2)cc1Cl 1344006422 KBHNWDUSBBKHAE-LLVKDONJSA-N 288.709 3.673 30 20 CHED C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 1353768085 LLDYAWDVPOKTGM-XWJBARJFSA-N 296.414 3.625 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cc(C#N)ccc1F 1275425385 HZRPFUAYTJTCAC-JTQLQIEISA-N 262.328 3.708 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(C#N)cc2F)c1 1353008702 JPKSVNGLNKMGAF-CYBMUJFWSA-N 296.345 3.805 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc2ccccc2c(O)n1 1514858973 MYMYZASVZARRLF-AWEZNQCLSA-N 296.370 3.511 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)CCc1ccco1 1528742599 ZTVUOAPLIIVXIV-UHFFFAOYSA-N 290.322 3.876 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H]2CCC[C@@H](C)C2)c1C#N 1458140370 ZSQATVLQPPFUBM-ZYHUDNBSSA-N 277.799 3.930 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 1536303304 AXLZPDMEZHKVOZ-YPMHNXCESA-N 290.794 3.768 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 1530064549 JAUVXKPWYQAABO-HZSPNIEDSA-N 264.413 3.599 30 20 CHED COc1ccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1C#N 1532697403 WPKSKYXVYYSAID-HUUCEWRRSA-N 298.386 3.722 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc(Cl)cn1 1474083547 WLVZIUCGMVTLGK-NSHDSACASA-N 287.750 3.638 30 20 CHED C=C(Cl)CNCc1c(C)nn(-c2ccccc2)c1Cl 1474018183 ASTDXKJXJLGKEU-UHFFFAOYSA-N 296.201 3.676 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2scc(C)c2Cl)n1 1544535115 UJMXLSCZKKGRFH-UHFFFAOYSA-N 291.763 3.537 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccc(F)cc1 1618202707 KANOWTIWDFLMSP-UHFFFAOYSA-N 266.319 3.650 30 20 CHED CC1(C)CO[C@]2(CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 222031257 VEZVHSLJIOIITE-KRWDZBQOSA-N 292.228 3.913 30 20 CHED Cc1cccc2nc(Oc3ccccc3C#N)oc12 1611733714 CNGLHHYBLPXSHD-UHFFFAOYSA-N 250.257 3.800 30 20 CHED COc1cc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)ccc1C#N 1620973174 WPTYUCQITQLCAF-OFQRWUPVSA-N 286.419 3.871 30 20 CHED Cc1nsc(N2CCC(CCC(C)C)CC2)c1C#N 1559134109 HRHMXXHAKGWWPU-UHFFFAOYSA-N 277.437 3.976 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1c1cccc(F)c1C#N 1639909220 SYUVQGXJBZWJOB-BBRMVZONSA-N 260.356 3.814 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCC[C@@H]2CCC(C)C)n1 1639423311 ZJUIYPXRZHPQQF-UKRRQHHQSA-N 272.396 3.674 30 20 CHED C=C(Cl)CNC(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 1564680037 LZCBZXOLJQHIBR-YPMHNXCESA-N 286.847 3.891 30 20 CHED C=C(Cl)CNCc1ncc(-c2ccccc2)s1 1656579257 OHCHOZSBHXAPNT-UHFFFAOYSA-N 264.781 3.652 30 20 CHED N#Cc1cccc(C#N)c1NCC[C@@H]1CCc2ccccc21 1651900400 SQLKLALCSGKFEK-HNNXBMFYSA-N 287.366 3.962 30 20 CHED COc1ccc(NCc2cc(C#N)ccc2F)cc1Cl 20041226 HXYBBSIVXNXXNT-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C1CC2(C1)CC(C(=O)Nc1ccc([C@H](C)C(=O)O)cc1)C2 1776145310 GGPQOLMTWSRZIP-LBPRGKRZSA-N 299.370 3.560 30 20 CHED Cc1ccc(C(=O)O)cc1C(=O)/C=C\c1cccs1 1777436275 DBOVYCYLLVJSSN-SREVYHEPSA-N 272.325 3.651 30 20 CHED CC(C)[C@H](C=NNc1ccc(C(=O)O)nc1)c1ccccc1 1776070695 BSRMPFAEANBFAJ-HNNXBMFYSA-N 297.358 3.617 30 20 CHED C=CCCC1(C(=O)O)CCN(CC[C@@H]2CC2(C)C)CC1 1776173156 HOVHUZUNRRXPDJ-CQSZACIVSA-N 279.424 3.556 30 20 CHED C=CCNc1nc(C(=O)O[C@@H](C)c2ccccc2)cs1 15151236 RAQIEUBIQZYWQT-NSHDSACASA-N 288.372 3.659 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 162667620 VGOFRXSINYDATK-QGZVFWFLSA-N 298.361 3.743 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](CC)c2ccncc2)cc1 158668831 DXDVBTZDKRKADR-QGZVFWFLSA-N 296.370 3.528 30 20 CHED CC1(C)CCC/C(=C/c2c[nH]nc2C(C)(C)C)C1=O 158974330 UQUZDWIPTIUAMR-LUAWRHEFSA-N 260.381 3.870 30 20 CHED C=CCC(CC=C)C(=O)OCCc1cccs1 151352219 IRCFKYCTIUEUPD-UHFFFAOYSA-N 250.363 3.602 30 20 CHED CCOc1cc(C)ccc1CNCc1cccc(C#N)c1 153441597 HQARBMDWRISHGW-UHFFFAOYSA-N 280.371 3.555 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(SCC#N)c1 155897053 NDLAMTGTJIWHQY-IUODEOHRSA-N 288.416 3.611 30 20 CHED CC[C@@H](C)CN(CC)C(=O)c1ccc(C#N)c(Cl)c1 157973540 DONBFKOVJLGLDJ-LLVKDONJSA-N 278.783 3.720 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(O)c2)c(C)c1 8322583 CWGJWCCITWDPEG-VQHVLOKHSA-N 252.313 3.905 30 20 CHED C#C[C@H](NC(=O)c1ccc(C(C)(F)F)cc1)C(C)(C)C 816701863 MLRNDUDOFFGAEY-ZDUSSCGKSA-N 279.330 3.576 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(N(C)C)c(Cl)c1 858656131 VZEVWMFNPZOETR-UHFFFAOYSA-N 293.798 3.674 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)c1cccc(F)c1 229748989 NDQYQBDTLNQOSP-UHFFFAOYSA-N 272.298 3.863 30 20 CHED Cc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)o1 36960221 JSAGYLDPOCXFLP-OLZOCXBDSA-N 254.333 3.872 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 37141718 XMZQEDJVDAXMEZ-KGLIPLIRSA-N 282.309 3.769 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(SC(F)F)c1 285253935 INNSSKLKHRBFLX-CYBMUJFWSA-N 284.331 3.880 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1C 402550919 HICXDHVPTPLFPB-NSHDSACASA-N 284.281 3.784 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)cc1F 403985505 HFJDJBVHYDYCIO-ZBFHGGJFSA-N 272.367 3.709 30 20 CHED C=CCCCCNC(=O)c1cc(C(F)(F)F)ccc1F 312833726 UZVKTIWUMAUKEH-UHFFFAOYSA-N 289.272 3.931 30 20 CHED C[C@@H]1CC[C@@H](Nc2ccc(OCC#N)cc2)[C@H](C)C1 85085970 AATVMBBKUZKGDQ-XJKCOSOUSA-N 258.365 3.826 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCCCO1 657970707 FQTAODJTJTXKJF-PMPSAXMXSA-N 251.414 3.670 30 20 CHED C=CCCS(=O)(=O)N[C@H](CC(C)(C)C)c1ccccc1 480932227 HMRJWLDBIOESHH-OAHLLOKOSA-N 295.448 3.659 30 20 CHED C=CCCSCCNCc1ccc2cnccc2c1 594960841 XEHFXFIIPGDZRB-UHFFFAOYSA-N 272.417 3.634 30 20 CHED C[C@@H]1CCCC[C@@H]1CNc1ccc(OCC#N)cc1 394774424 BNTJZAFBHXEKMY-ZIAGYGMSSA-N 258.365 3.827 30 20 CHED C(=NOCc1ccccc1)c1scnc1C1CC1 782188190 UQPMEHDADQKPEP-UHFFFAOYSA-N 258.346 3.571 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nnc(C(C)(C)C)o1 791567143 GAXKYUXWJSWFSP-UHFFFAOYSA-N 299.418 3.945 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccccc1SC 281737862 HDJXABHZLOJYNQ-CYBMUJFWSA-N 275.417 3.779 30 20 CHED N#Cc1ncccc1NC[C@@H]1CCCC[C@H]1C(F)(F)F 589581578 CVGWSCLKNCFCRL-WDEREUQCSA-N 283.297 3.734 30 20 CHED Cc1cccn2cc(COc3ccc(C#N)cc3Cl)nc12 7319632 AIBZBPVLCCAVOQ-UHFFFAOYSA-N 297.745 3.747 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 7586595 OTAHBRZBXAFRCT-FMIVXFBMSA-N 296.326 3.557 30 20 CHED C=CCNc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 7843353 HFIRMCHAJRDYHO-UHFFFAOYSA-N 275.377 3.556 30 20 CHED CCCCSCC(=O)Nc1ccc(C#N)c(Cl)c1 23114498 JWDXCFMABIBEQX-UHFFFAOYSA-N 282.796 3.683 30 20 CHED COC(=O)c1ccc(SCc2ccc(C#N)cc2)cc1 42641078 USGWZSQHWPBTHR-UHFFFAOYSA-N 283.352 3.637 30 20 CHED CC(C)NC(=O)Nc1cccc(C#Cc2cccs2)c1 43996177 HEUCWBFVAUSEJL-UHFFFAOYSA-N 284.384 3.678 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCc2cc(F)ccc21 48962648 RISWXHVNOHDIDG-MRXNPFEDSA-N 270.282 3.936 30 20 CHED Cc1ccc(-c2nc(CN3CCC(C#N)CC3)cs2)cc1 57907868 NNJWRCZHEMXNKV-UHFFFAOYSA-N 297.427 3.854 30 20 CHED C[C@H](CCNC(=O)C1(C#N)CCCCC1)c1ccccc1 60393940 AIDGJBNXXKABAD-OAHLLOKOSA-N 284.403 3.770 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2cccs2)cc1OC 66746363 VRWWKXMKSZGZNW-VOTSOKGWSA-N 288.368 3.970 30 20 CHED C[C@H](C#N)CN(C)CCCOc1ccc2ccccc2c1 68969592 YQTDVRSDHLBEDW-OAHLLOKOSA-N 282.387 3.700 30 20 CHED C=CC[C@H](C)NC(=O)C(CC)(CC)c1ccccc1 75200817 LCRDJLIOBLZCEJ-AWEZNQCLSA-N 259.393 3.825 30 20 CHED N#C[C@@H](NC(=O)C1CC=CC1)c1cccc(Cl)c1Cl 76996794 MVZZYSKUJSZJDW-GFCCVEGCSA-N 295.169 3.640 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(OC(C)(C)C)cc1 78618290 IQWSZXCHWGNRPH-UHFFFAOYSA-N 289.379 3.631 30 20 CHED CN(CCC#N)c1ccc(CNc2ccccc2)cc1 79752515 BMDKKVVDNDUTFS-UHFFFAOYSA-N 265.360 3.649 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)CCCCCc1cccs1 85439881 USIJTZFODFZTON-AWEZNQCLSA-N 292.448 3.905 30 20 CHED CCC1CCC(NCc2ccc(OC)c(C#N)c2)CC1 87823942 UJUYZYZHEYYHMR-UHFFFAOYSA-N 272.392 3.625 30 20 CHED N#CCCCNC(c1ccc(F)cc1)c1ccc(F)cc1 92808988 WBBJLJJRDHYWNJ-UHFFFAOYSA-N 286.325 3.948 30 20 CHED CC(C)N(CC#Cc1cccc(Cl)c1)Cc1cccnc1 93225257 WBXOKVWNORCAAV-UHFFFAOYSA-N 298.817 3.997 30 20 CHED C=CCc1cc(CN2CCC3(CCC3)C2)cc(OC)c1O 93455853 CGFBEMOMFNDTFI-UHFFFAOYSA-N 287.403 3.505 30 20 CHED CC(C)CC1(CNc2ccc(C#N)cn2)CCCC1 94877939 KNGMOIHLMVEJQQ-UHFFFAOYSA-N 257.381 3.972 30 20 CHED C=CCN(CC=C)C(=O)c1cc(F)c(Cl)cc1Cl 96968183 BUYXPGLUSPTXLQ-UHFFFAOYSA-N 288.149 3.947 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)c1ccc(F)cc1 103316116 YIQNGCJJYRDDQI-UHFFFAOYSA-N 292.398 3.711 30 20 CHED CCCCCCCC(=O)Nc1ccc(OCC)c(CO)c1 103362977 SJYPBDWJNMXDHY-UHFFFAOYSA-N 293.407 3.877 30 20 CHED COc1ccccc1OCCSCc1cccc(C#N)c1 105632764 NAZIXHXVZDXHMQ-UHFFFAOYSA-N 299.395 3.879 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cc1 106503460 CIGYFPPWIZWMMQ-MRXNPFEDSA-N 295.317 3.506 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccncc1 108238662 BOVCJOANDDLROS-GFCCVEGCSA-N 297.383 3.586 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(OC2CCCC2)c1 108686786 XPXQOODKXQRGKZ-UHFFFAOYSA-N 285.387 3.822 30 20 CHED C[C@H](C#N)NC(=O)c1cc(-c2ccccc2)ccc1Cl 110666802 AAUBRCDVRDXXMM-LLVKDONJSA-N 284.746 3.649 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)CC1CC1 112752025 ZQEMZBFUFWJFMO-AWEZNQCLSA-N 272.392 3.573 30 20 CHED O=C(/C=C/c1cc(F)c(F)cc1F)c1ccco1 118999096 GXVQZLZIERELEJ-ONEGZZNKSA-N 252.191 3.593 30 20 CHED C=CCN(C)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 119071992 KMJWAICTGRLRAC-UHFFFAOYSA-N 292.810 3.589 30 20 CHED C[C@H](NCc1ccccc1C#N)c1cccc(F)c1F 121951824 KQVSVQOQGBEQNA-NSHDSACASA-N 272.298 3.687 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)ccc1Cl 123217687 OAIHTUSPQNZPJR-UHFFFAOYSA-N 259.136 3.691 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 127482341 ZDJOZFDCSPNHRK-KBXCAEBGSA-N 295.386 3.643 30 20 CHED C[C@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])c(C#N)c1 127956278 BUUDAKFVBRVXSR-JTQLQIEISA-N 299.355 3.652 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 128528909 HZEWWPOZGGZQGV-VIFPVBQESA-N 287.190 3.709 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N(CCC#N)CC(C)(C)C)C1 128827611 UITDMWIGLUPISF-KGLIPLIRSA-N 264.413 3.601 30 20 CHED CC(C)(C#N)CCN(Cc1ccccc1)C[C@H]1CCCO1 131251141 ONBLAGBESDYPPS-QGZVFWFLSA-N 286.419 3.607 30 20 CHED N#Cc1ccc(F)cc1CSc1nnc(C2CC2)s1 131262299 NERHHQCNKIVZFV-UHFFFAOYSA-N 291.376 3.719 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCc1ccc(C#N)cc1 132381006 ZNYULZITJSYNMP-ZWKOTPCHSA-N 291.350 3.714 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C#N)s2)cc(C)c1O 134514174 GSXFDHXWKGBXCN-HWKANZROSA-N 283.352 3.838 30 20 CHED C=CCCCCCN(C)Cc1cc2ccccc2[nH]c1=O 150888067 ZIKWIJGAPMSWJK-UHFFFAOYSA-N 284.403 3.706 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@H](CC)c1ccc(OC)cc1 152257820 NOYRJXPRJZLTAU-KGLIPLIRSA-N 275.392 3.660 30 20 CHED Cc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)oc1C 153745109 XDZAQPVFUKFFMX-HNNXBMFYSA-N 282.343 3.671 30 20 CHED N#CCC[C@@H](C#N)COc1ccc(Oc2nccs2)cc1 154692797 GIUQEXVFUZAEAX-LBPRGKRZSA-N 299.355 3.758 30 20 CHED C#CCCCCNC(=O)N(CC)[C@H](C)c1ccc(F)cc1 154858294 UOHOHEGAHCZIQM-CQSZACIVSA-N 290.382 3.722 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(O)c(Cl)c1 156074968 QAJWAROMHNBVKX-UHFFFAOYSA-N 281.783 3.864 30 20 CHED N#Cc1cnc2ccccc2c1NC[C@@H]1CCCCS1 156422474 HGWXHERTZJPQEF-ZDUSSCGKSA-N 283.400 3.804 30 20 CHED C#CCCCCNC(=O)c1cc(CCC)c(C)s1 156588795 SRUDWNMAVZVMRC-UHFFFAOYSA-N 263.406 3.542 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(OC)cc1 156818298 PMMFPLMKDQIYJF-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H]1C=CCCC1 158625665 RUVXQPVIBZSDLZ-QGZVFWFLSA-N 284.403 3.535 30 20 CHED N#Cc1c(Cl)cccc1NCC1CCSCC1 159274394 QOEWPAQRXOUMJZ-UHFFFAOYSA-N 266.797 3.767 30 20 CHED C=CCC[C@@H](NCCCc1cnn(C)c1)c1ccccc1 159968025 QLPKCKYNEFEJFE-GOSISDBHSA-N 283.419 3.650 30 20 CHED N#CCC[C@@H](NC(=O)N1CCCCCC1)c1ccccc1 160502635 GGFLTWUCYCTMDI-MRXNPFEDSA-N 285.391 3.617 30 20 CHED Cc1ccc(N(C)Cc2ccc(C#N)cc2C)cc1 165471134 VIWNKEGBGUENRK-UHFFFAOYSA-N 250.345 3.812 30 20 CHED COc1cc(NCC2(CC#N)CC2)ccc1Br 169070145 UTMKHCGTYRWDGU-UHFFFAOYSA-N 295.180 3.563 30 20 CHED CC(C)c1ccc(CSc2nccnc2C#N)cc1 171026984 ATRANNSXJUOVFU-UHFFFAOYSA-N 269.373 3.764 30 20 CHED C=CCN(CC=C)Cc1cnc(-c2ccccc2)s1 172167247 RBFVZSFZLAISSW-UHFFFAOYSA-N 270.401 3.984 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C)cc1 172661890 OEDUDOUMZGMNMO-UONOGXRCSA-N 273.376 3.512 30 20 CHED C#CCCCNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 172943716 WROAMEFIVPVJJY-LBPRGKRZSA-N 297.320 3.729 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCNCC(C)(C)CCC#N 174284905 YVCYVZXUSQVYIP-CABCVRRESA-N 266.429 3.501 30 20 CHED CC(C)[C@@H](CNCc1ccc(C#N)s1)c1cccnc1 177595666 ZLDRTBLNUKNPQS-MRXNPFEDSA-N 285.416 3.544 30 20 CHED C[C@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)c2ccccc21 177707535 NYAHGGFKDQIFJA-LIRRHRJNSA-N 292.382 3.605 30 20 CHED C=CCCCC(=O)Nc1c(F)cccc1N1CCCC1 177807279 JWZNFOPIYFWBMP-UHFFFAOYSA-N 276.355 3.721 30 20 CHED Cc1ccc2oc(C(=O)Nc3cccc(C#N)c3C)cc2n1 178634603 KSFYOTPCSQVZLB-UHFFFAOYSA-N 291.310 3.569 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)C2(c3cccc(Cl)c3)CC2)C1 178786142 OLRXWCLPDOSKNZ-SMDDNHRTSA-N 289.762 3.607 30 20 CHED COc1ccc(CN(C)[C@H]2CCc3ccccc32)cc1C#N 179193842 SKCXVZAITTXOLH-SFHVURJKSA-N 292.382 3.686 30 20 CHED C#CCCCCC(=O)Nc1ccc(-c2cnc(C)o2)cc1 179702533 UYJBLQOHTHWJDI-UHFFFAOYSA-N 282.343 3.782 30 20 CHED CCOc1ccccc1[C@@H](CC)NC[C@@H](C#N)CCC#N 179734551 ZTMHFSVDRLOXSA-GDBMZVCRSA-N 285.391 3.570 30 20 CHED Cc1ccc([C@H](C)NCCCC(C)(C)C#N)cc1[N+](=O)[O-] 181813701 KUBACNBHEQXLOS-ZDUSSCGKSA-N 289.379 3.884 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC)c1cc(F)ccc1F 183054618 LXTDWSMBTOFHAC-CQSZACIVSA-N 282.334 3.633 30 20 CHED CC(C)(CN(CCC#N)Cc1ccco1)c1ccccc1 183497650 HICAAMPMSAOYIW-UHFFFAOYSA-N 282.387 3.973 30 20 CHED C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 183770749 DHSHMVRXKQPQME-OLMNPRSZSA-N 296.414 3.528 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1cccc(F)c1 185236612 OHAAWRCCVODKEK-INIZCTEOSA-N 273.351 3.683 30 20 CHED C#CCC(C)(C)C(=O)N(C)c1cccc(C(C)C)c1 185270249 IIGHELKBKQLFDQ-UHFFFAOYSA-N 257.377 3.822 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CCCc2cc(F)ccc21 185303394 RLHOUEJYYOPXMO-LBPRGKRZSA-N 261.340 3.707 30 20 CHED COc1ccc(OC(F)F)c(N[C@H]2CCC[C@@H](C#N)C2)c1 185738449 QHYIOPWUPKSLET-MNOVXSKESA-N 296.317 3.791 30 20 CHED Cc1ccc(C(C)(C)CN[C@@H]2CCC[C@@H](C#N)C2)cc1 185813569 QGFLONQOGPLYMD-NVXWUHKLSA-N 270.420 3.945 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(F)c(F)c1 186453935 CSEPVNKUSZZHIT-MEDUHNTESA-N 291.345 3.666 30 20 CHED CCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)c1ccc(C#N)cc1 186750345 DHIVPAGQLJDQJR-WBVHZDCISA-N 270.376 3.593 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)CC(C)(C)OC)c1ccccc1 188263325 VWYZQZRMRIVKSK-HOCLYGCPSA-N 289.419 3.666 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1CC1CCCCC1 191998179 GFIUHMAJTCNBJU-INIZCTEOSA-N 261.409 3.751 30 20 CHED C#CCCCC(=O)N(C)Cc1c(CC)oc2ccccc12 192095856 BWELBIUOIHGUGK-UHFFFAOYSA-N 283.371 3.757 30 20 CHED O=C(/C=C/c1nc(-c2ccccc2)c[nH]1)c1ccccc1 193121343 FJCWNQHHYIMXJQ-VAWYXSNFSA-N 274.323 3.973 30 20 CHED CCO[C@H](CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 193523973 QHKIMZWOCALMFH-DNVCBOLYSA-N 294.398 3.987 30 20 CHED C=CCCCCCN[C@H](c1nc(C2CC2)no1)C(C)C 193536724 XAVDEOMMAOHNGR-AWEZNQCLSA-N 277.412 3.980 30 20 CHED COc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1Cl 193846421 WVDCWLDGXGRYOY-GHMZBOCLSA-N 264.756 3.843 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C#N)cc2)c1F 195501836 NNFRNEJMJUMETE-MDZDMXLPSA-N 281.286 3.602 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2ccc(O)cc2)c(O)c1 199687663 JVLGMEDHLOLOOU-YVMONPNESA-N 268.312 3.611 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(F)c(F)c1 206083129 GHRPAHAIPPMCCP-CLFYSBASSA-N 274.266 3.870 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(OC)c(F)c2)c1 208461272 FMJQIFYNTBXZIV-VURMDHGXSA-N 286.302 3.739 30 20 CHED C#CCSCCN[C@H](C)c1ccc2cc(OC)ccc2c1 222116313 HLWGZFCSHIEPRI-CQSZACIVSA-N 299.439 3.865 30 20 CHED CCCCOCCCNc1nc2ccccc2cc1C#N 226796692 IWRMRHONTNRRQW-UHFFFAOYSA-N 283.375 3.725 30 20 CHED COCCC(C)(C)CNc1c(C#N)cnc2ccccc12 230841552 HTAKFKJZHGUPQS-UHFFFAOYSA-N 283.375 3.581 30 20 CHED CCC1(CNc2nc(Cl)c(C#N)s2)CCC1 232990740 DQRXHGFWXPDVJG-UHFFFAOYSA-N 255.774 3.660 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)s2)[C@H]1c1ccccc1 245779276 UASXJRFDGXDFIG-BLLLJJGKSA-N 268.385 3.813 30 20 CHED N#Cc1cccc(CN2CC[C@@H]3CCCC[C@H]3C2)c1 249936868 CMAGZKHMROGPQE-IRXDYDNUSA-N 254.377 3.570 30 20 CHED O=C(/C=C\c1ccccc1OC(F)(F)F)c1cccnc1 255128974 FRBMMRSINSXZGC-FPLPWBNLSA-N 293.244 3.876 30 20 CHED Cc1ccccc1C1CCN(CCCCC#N)CC1 264413886 KFSAEKPVFSNVHY-UHFFFAOYSA-N 256.393 3.868 30 20 CHED N#CCC[C@@H](C#N)CN1CC[C@H]1c1ccc(Cl)cc1 267168919 HNVZPSAVMARHJA-WFASDCNBSA-N 273.767 3.530 30 20 CHED CCOC(=O)Cc1cccc(NCCCC(C)(C)C#N)c1 268542039 AAYBACZQHDHOKD-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccccc1OC(F)F 271370047 KUESJWOIKMYWPI-GFCCVEGCSA-N 295.329 3.659 30 20 CHED COc1ccc(C)cc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 274206255 MFXKUYZINIEHNX-RRFJBIMHSA-N 272.392 3.737 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(F)cc1F 280719340 UVTGDNUUSUNBRI-HSMVNMDESA-N 281.346 3.597 30 20 CHED C=CC[C@H](CC)NC(=O)c1ncoc1-c1ccc(F)cc1 281461043 SQTFQFRLDZGOPY-ZDUSSCGKSA-N 288.322 3.565 30 20 CHED CCOc1ccccc1OCCCC1(C#N)CCOCC1 281500520 XZRRIAGUJOZCNO-UHFFFAOYSA-N 289.375 3.565 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(C)nn(-c2ccccc2)c1C 281625561 GDAUSTSHFVOAQZ-OAHLLOKOSA-N 297.402 3.574 30 20 CHED C=C(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 282315276 NFWDHMDGTWHQRI-RBOXIYTFSA-N 276.330 3.864 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@@H]2CCCCS2)no1 289566794 FQRSUPWOCWTIRE-SMDDNHRTSA-N 282.409 3.508 30 20 CHED Cc1ccc(CCC(=O)N(C)c2ccc(C#N)cc2)s1 291243347 AYDXJWVFGXSYPS-UHFFFAOYSA-N 284.384 3.524 30 20 CHED CCc1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 294334834 KVNDGRLNKFRVAZ-KRWDZBQOSA-N 268.360 3.662 30 20 CHED Cc1c(F)cccc1NC(=O)[C@@]1(C#N)CC12CCCC2 295159918 QMPSOCSBIGYUGN-INIZCTEOSA-N 272.323 3.547 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ncc(C)s1)CC2 295926463 NFZQHBKSGPBRQY-KPKJPENVSA-N 285.368 3.673 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)CCCC(C)=O 299237393 UHWLFBGDKQSAJZ-UHFFFAOYSA-N 299.823 3.675 30 20 CHED N#Cc1ccc(N[C@@H]2CCOc3ccc(F)cc32)cc1 301168408 FLRNBJBONQDNKA-OAHLLOKOSA-N 268.291 3.633 30 20 CHED Cc1c(C)c(C)c(CNc2cnc(C#N)cn2)c(C)c1C 302280961 KEWYBGCMKJYGNM-UHFFFAOYSA-N 280.375 3.502 30 20 CHED C=C(Cl)CN(C)Cc1ccccc1Br 302834600 VSVBBMSGEQLUPS-UHFFFAOYSA-N 274.589 3.633 30 20 CHED CC(C)CON=Cc1sccc1Br 308144247 KQIBPAYRJIXNEY-UHFFFAOYSA-N 262.172 3.517 30 20 CHED CCCC[C@@H](C)C(=O)Nc1ccc(C#N)cc1Cl 310664820 ZFNHVWMTSGLDEJ-SNVBAGLBSA-N 264.756 3.976 30 20 CHED CCN(c1nc(C)c(C#N)cc1Cl)C1CCCC1 311151145 VVWVOWYXXYMYAP-UHFFFAOYSA-N 263.772 3.684 30 20 CHED N#Cc1cc(F)cc(OCc2cc(F)cc(F)c2)c1 312034331 YPXOFOSQYWDRQL-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C[C@H]1CCCCN(C(O)=Nc2nccn2-c2ccccc2)C1 328760455 XMRFUMTZXJRPLR-AWEZNQCLSA-N 298.390 3.540 30 20 CHED CC1(C)CC[C@H](/N=C(/O)c2csc([C@@H]3CCCO3)n2)C1 328996588 JYJWAKQPRPXGGY-JQWIXIFHSA-N 294.420 3.878 30 20 CHED CC[C@H]1C[C@@H](C(O)=Nc2c(C)noc2C2CC2)CC(O)=N1 329773025 LEWJLUCOIGUQNW-MNOVXSKESA-N 291.351 3.594 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/C[C@@H]1C[C@H]2CC[C@H]1C2 330037462 ZFDWHSIMGALGKI-IHRRRGAJSA-N 288.391 3.676 30 20 CHED Cc1cccc(/C(O)=N/[C@](C)(C#N)CC(C)C)c1F 330483814 VPRLKSPMBZAXIT-HNNXBMFYSA-N 262.328 3.767 30 20 CHED CCCCn1ncc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)c1C 331288745 IVZJVIXDFOAJLA-DGCLKSJQSA-N 278.400 3.506 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(-c2ccco2)cc1F 335270780 GFJBRGVSCHPDOE-MGPLVRAMSA-N 284.290 3.574 30 20 CHED Cc1ccc2ccnc(N3CCC(CC#N)CC3)c2c1 335485745 YKCMDSLBSCRPRS-UHFFFAOYSA-N 265.360 3.673 30 20 CHED CC(C)(C)c1ccc(C(=O)N2CCC(CC#N)CC2)cc1 335899439 WTKZRSYLULAUGA-UHFFFAOYSA-N 284.403 3.750 30 20 CHED CC(C)c1ccc(NC(=O)N2CCC(CC#N)CC2)cc1 335905726 GMLHXYDOZMRNIT-UHFFFAOYSA-N 285.391 3.968 30 20 CHED Cc1sc2ncnc(SCC3(C#N)CC3)c2c1C 336604365 IANWCPAEZCGDRO-UHFFFAOYSA-N 275.402 3.704 30 20 CHED N#Cc1cccc(NCCCc2c[nH]c3ccc(F)cc23)n1 336911474 YDNUJIAQEOCWPD-UHFFFAOYSA-N 294.333 3.618 30 20 CHED C[C@@]1(CNc2cc(C#N)ccn2)C[C@@H]1c1ccccc1 338737346 BJBIPSUKEOMEEG-WBVHZDCISA-N 263.344 3.559 30 20 CHED N#Cc1ccn(Cc2csc(-c3cccs3)n2)c1 339195462 LWJYDMZPJVEUMG-UHFFFAOYSA-N 271.370 3.593 30 20 CHED C=CCCC[C@@H](C)SCCCNc1ncccn1 341466561 LGTLKJUJXNFDSZ-CYBMUJFWSA-N 265.426 3.757 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1 341482653 OKRVNBNSPKHUAQ-HNNXBMFYSA-N 288.366 3.738 30 20 CHED N#Cc1ccc(CNc2ccc(F)c(C3CC3)c2)o1 341562251 TWARVPBONAKCKB-UHFFFAOYSA-N 256.280 3.780 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC)c1ccc(Cl)cc1 341893934 ZGSBCHLPYJEWGW-IUODEOHRSA-N 267.800 3.565 30 20 CHED C[C@@H](CCO)C1(CNc2ccc(Cl)cc2C#N)CCC1 342785496 LPWMHRXXCUFLIA-LBPRGKRZSA-N 292.810 3.812 30 20 CHED C=CC[C@H](CC)N[C@@H](CC)c1ccc2c(c1)OCCO2 343517150 XZNFCFBTUQJDIN-GJZGRUSLSA-N 275.392 3.853 30 20 CHED CCN(CC#N)C(=O)c1ccccc1Sc1ccccc1 344184560 IFYLOJIPTQXDJO-UHFFFAOYSA-N 296.395 3.823 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCO[C@H]1c1ccnn1C(C)C 344262148 PEQRGZDQCPHGHU-ZMSDIMECSA-N 291.439 3.628 30 20 CHED Cc1cccc(N[C@@H]2CCCc3cc(C#N)ccc32)n1 346241331 QKRRDFCXMQIQSD-MRXNPFEDSA-N 263.344 3.751 30 20 CHED C=C(CC)CN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 347924882 FVNKYXSBSIMEEO-SNVBAGLBSA-N 289.345 3.679 30 20 CHED C=CCCCCNC(=O)c1ccc(OC(C)C)c(OC)c1 351577156 QWKGBSAHXJYMHQ-UHFFFAOYSA-N 291.391 3.569 30 20 CHED CC(C)(C)C(=O)CSCc1cccc(C#N)c1F 353204318 SBIDOMUDMRWZIB-UHFFFAOYSA-N 265.353 3.546 30 20 CHED CC(C)CCCNC(=O)C[C@@H](CC#N)c1ccccc1 354413850 IMLZARPZULWGPU-MRXNPFEDSA-N 272.392 3.626 30 20 CHED CC(C)N(C(=O)C[C@H](CC#N)c1ccccc1)C1CCC1 356142390 AMCUDIGSBYELAK-INIZCTEOSA-N 284.403 3.863 30 20 CHED C[C@H](C1CCC1)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 356712967 XKQFVUJJEXVDIJ-CYBMUJFWSA-N 284.403 3.748 30 20 CHED C=C[C@H](C)N[C@@H](CC)c1cc(Cl)ccc1OC 358304172 RDXBOYUAJBWZCY-GWCFXTLKSA-N 253.773 3.964 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(SC)c(OC)c1 358321890 SIGMCTBFOKRLHB-MNOVXSKESA-N 251.395 3.642 30 20 CHED C[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 358902702 KHIGDMWYERGAEU-DOMZBBRYSA-N 270.376 3.562 30 20 CHED C[C@H]1CCC[C@@H](C)N(c2ncc(C#N)cc2Cl)C1 361093637 BLLCXBHJFMXTOB-WDEREUQCSA-N 263.772 3.622 30 20 CHED CC(C)C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccn1 361763236 DJEFKNRRHZISCN-GOSISDBHSA-N 297.377 3.969 30 20 CHED CC[C@H](C)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 365085175 NOHYXLPEEUDKHL-AWEZNQCLSA-N 282.387 3.610 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCOC2(CCCCC2)C1 369746161 TWTNENNUCFUCOD-GJZGRUSLSA-N 294.439 3.522 30 20 CHED C[C@H]1Oc2ccccc2[C@@H]1Nc1ncc(C#N)cc1Cl 377174946 JXVXKVNHHOWCMJ-YMTOWFKASA-N 285.734 3.541 30 20 CHED CC[C@@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 388848817 ZXDKCBWPZARZNH-KOLCDFICSA-N 283.297 3.963 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 389207714 SSNIVQSGHJMNBX-GFCCVEGCSA-N 262.353 3.848 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCC(CCC#N)CC1 399451070 LQAYDKAARVYMHZ-MRXNPFEDSA-N 278.440 3.991 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)c(CC)s1 410140415 AJNZCSXMHDBBQF-LLVKDONJSA-N 251.395 3.703 30 20 CHED C=CC[C@H](CC)NC(=O)c1csc(-c2ccccc2)n1 410143438 QGXUZURHHGFCSI-ZDUSSCGKSA-N 286.400 3.895 30 20 CHED CC(C)(C#N)CCCN1CCSC2(CCC2)CC1 411862790 BNXDWAIJOHENAQ-UHFFFAOYSA-N 266.454 3.678 30 20 CHED Cc1c(C(=O)NCCCCC#N)[nH]c2c(Cl)cccc12 412010788 RSODYEVRZAZHLS-UHFFFAOYSA-N 289.766 3.553 30 20 CHED C=CCC(C)(C)C(=O)NCc1cnccc1C(C)(C)C 412561218 DINHUPCTIYJRKK-UHFFFAOYSA-N 274.408 3.598 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC=CC[C@H]1C 412811145 BUJRBHNQMLQTOD-KBAYOESNSA-N 283.415 3.892 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccco2)CCCCC1 412948486 SBAGKEOAPYATBR-ZIAGYGMSSA-N 273.376 3.778 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@H](CC)CC(F)(F)F 413740792 NRAQKFSYKSRHEJ-NEPJUHHUSA-N 292.345 3.715 30 20 CHED CC[C@@H](NCC[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 414162450 HARXFZDWADKWLP-BSDSXHPESA-N 284.403 3.557 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1cccc([N+](=O)[O-])c1 414173717 XGNYOUKXYKZXFA-AWEZNQCLSA-N 275.352 3.575 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCCc2c1cnn2C 414311179 XPAYOUZWTJRHQI-SJLPKXTDSA-N 295.430 3.575 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)c1ccc(F)cc1 415542456 VAGBMNNSFUDHRZ-HZPDHXFCSA-N 275.367 3.886 30 20 CHED C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(C2CC2)cc1 416052749 CNFGAORKVGVYMH-ZDUSSCGKSA-N 290.366 3.927 30 20 CHED CC(C)(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCC1 416099900 LYHZJSQYHOGUPN-KRWDZBQOSA-N 296.414 3.878 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416111803 VCRLNDLCWUTZBO-FUHWJXTLSA-N 282.387 3.654 30 20 CHED N#CC1(COc2ccc(Br)c(F)c2)CCC1 418875778 FAKPPRRNDFXEPY-UHFFFAOYSA-N 284.128 3.661 30 20 CHED C[C@H](NCc1cccc2c1CCCN2)c1cccc(C#N)c1 423411803 GJEALKBEXIEOEX-AWEZNQCLSA-N 291.398 3.767 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N(CCC#N)CC1CC1 424652465 WNITXIKSQUHBNR-KRWDZBQOSA-N 298.430 3.716 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC2CCC1CC2 425116632 VXGURIXAJVAZDD-WBTBYHMDSA-N 296.414 3.904 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425126241 HOLXAPUNDZYRMZ-HUUCEWRRSA-N 292.382 3.881 30 20 CHED Cc1cc(Oc2ccc(OC(C)C)cc2)c(C#N)cn1 425236929 QYPILQFXHWCFLX-UHFFFAOYSA-N 268.316 3.841 30 20 CHED C[C@]1(CNc2cccc(Cl)c2C#N)C[C@H]2CC[C@H]1O2 425289636 ZTWZYWPOWWJHFE-VCTAVGKDSA-N 276.767 3.581 30 20 CHED N#C[C@@H]1CC[C@H](NCCCCCOc2ccccc2)C1 425351603 JJTRSZMZLXDFEU-CVEARBPZSA-N 272.392 3.518 30 20 CHED C=C[C@H]1CCCCN1Cc1cnn(Cc2ccc(F)cc2)c1 426542095 CXNZGJYGTQBHSZ-SFHVURJKSA-N 299.393 3.611 30 20 CHED Cc1c(NCc2cccc(F)c2C#N)cccc1[N+](=O)[O-] 427565273 NCLYCIOZQKVLSA-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C 429960254 DBIJWJDZBQRIRC-AWEZNQCLSA-N 260.381 3.649 30 20 CHED Cc1cccc(C[C@@H](NCC2(CC#N)CC2)C2CC2)c1 430745474 XSIAEGURFRXQDR-QGZVFWFLSA-N 268.404 3.600 30 20 CHED CCc1ccc([C@@H]2CCN(c3cc(C#N)cc(C)n3)C2)cc1 431511466 LELSFTXBCBHROD-GOSISDBHSA-N 291.398 3.818 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC(C)(C)c2ccccc21 431697402 ORTSTRJTEROBTN-SWLSCSKDSA-N 272.392 3.673 30 20 CHED C=CCC[C@H](O)CN1CCCC[C@H]1c1ccc(F)cc1F 432028748 YMLGYSKHDFTPOC-YOEHRIQHSA-N 295.373 3.819 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(F)c1F 432769884 DOHZFTLZFKKQLP-UHFFFAOYSA-N 268.307 3.689 30 20 CHED C=C(C)CN(CC)C(=O)C1CCC(C(F)(F)F)CC1 435652357 BGYDNZJDLPIANN-UHFFFAOYSA-N 277.330 3.780 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 437495010 JDNFYPRKMFDXLO-SRCQZFHVSA-N 293.357 3.929 30 20 CHED CCCN(CC#N)[C@H]1CC[C@](C)(c2ccccc2)C1 437690675 ZPBKMYGJZFRVTR-IRXDYDNUSA-N 256.393 3.732 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H]1Cc1ccccc1 437844265 HWCGAKNZDKQYJO-SFHVURJKSA-N 280.346 3.514 30 20 CHED CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1ccc(C#N)cc1 437930768 KLMHVSWLFWISEC-LBPRGKRZSA-N 299.296 3.657 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@H](c2ccccc2)C(F)(F)F)C1 442842985 RCBBBARUYUHTPL-KWCYVHTRSA-N 282.309 3.614 30 20 CHED Cc1cc(COc2cc(F)cc(F)c2)ccc1C#N 447320850 HLJRYWBPERPKLF-UHFFFAOYSA-N 259.255 3.724 30 20 CHED Cc1cc(CSCc2noc(C(C)C)n2)ccc1C#N 447413736 NUJUBXKWSOPCNP-UHFFFAOYSA-N 287.388 3.807 30 20 CHED C=CCCCNc1c(C)nn(-c2ccccc2)c1C 447805551 JCLUZKCECCDVPB-UHFFFAOYSA-N 255.365 3.867 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@@H]1CC 448788669 UJCHIJFOWCRHHG-UONOGXRCSA-N 286.375 3.722 30 20 CHED CC(C)c1nc2ccc(NC(=O)[C@]3(C#N)C[C@H]3C)cc2s1 448814427 VSHQHQYALHXIDO-HWPZZCPQSA-N 299.399 3.908 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 449888444 NQMZLKACBDQLDB-NUEKZKHPSA-N 257.377 3.651 30 20 CHED N#CC1(CNC2(Cc3ccccc3)CCCC2)CCC1 450748807 XJVZEJILOLPUMW-UHFFFAOYSA-N 268.404 3.825 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1csnn1)c1ccc(F)c(F)c1 450779502 OUNMXSUJRXLGPX-XPTSAGLGSA-N 295.358 3.784 30 20 CHED CC(C)(C)OC1CC(Sc2ccccc2C#N)C1 450852379 CVYPMDBUZLRWRZ-UHFFFAOYSA-N 261.390 3.996 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@@](C)(CC)OC 452740969 OCAPDICKNOKWSP-MRXNPFEDSA-N 293.432 3.510 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(OC)c(Cl)c1 452777468 NMDOQJUONDFIDQ-UHFFFAOYSA-N 295.810 3.610 30 20 CHED C=CCN(C(=O)Nc1ccccc1C(C)(F)F)C1CC1 455781793 ZTTDMWBYVIOQKY-UHFFFAOYSA-N 280.318 3.981 30 20 CHED C=CCC1(C(=O)NCCc2cc(C)ccc2F)CCC1 456328320 KOYFFNWGYQRRIQ-UHFFFAOYSA-N 275.367 3.539 30 20 CHED Cc1cc(F)c(CNCC2(CC#N)CC2)c(Cl)c1 459510920 MEBQHXIKNSLNAU-UHFFFAOYSA-N 266.747 3.571 30 20 CHED CC(C)(CC#N)CNCC1CCC(C(F)(F)F)CC1 459727531 GXFBCDHGKGFMKN-UHFFFAOYSA-N 276.346 3.885 30 20 CHED Cc1nc(N2CCC[C@H](C3CC3)C2)c(Cl)cc1C#N 461886254 QANPKCSNKRMACL-LBPRGKRZSA-N 275.783 3.542 30 20 CHED Cc1cc(F)cc2c(=N[C@@H]3CCC[C@H]3C)c(C#N)c[nH]c12 462822878 XLRIVNYBZBFRFQ-MEBBXXQBSA-N 283.350 3.576 30 20 CHED COc1cccc(C)c1NC(=O)[C@H](C)c1cccc(C#N)c1 464459912 JJKFOKMGVNFYHV-CYBMUJFWSA-N 294.354 3.618 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CCCC)CCCC 466379606 ZXLZZUZZYCIUAQ-CQSZACIVSA-N 254.418 3.953 30 20 CHED N#Cc1cccc(CCNCc2cc(F)cc(Cl)c2)c1 466422923 WKCORADVILEPGI-UHFFFAOYSA-N 288.753 3.683 30 20 CHED C=CCCN(C)C(=O)c1cc(-c2ccccc2Cl)on1 466638475 CICOGSNXSXHJGG-UHFFFAOYSA-N 290.750 3.643 30 20 CHED CCC(C)(C)c1ccc(NC(=O)C(C)(C)C#N)cc1 468742960 JTDOWLXVAWSKAN-UHFFFAOYSA-N 258.365 3.862 30 20 CHED CC1(C)[C@H](C(F)(F)F)CCN1CC#Cc1ccc(F)cc1 470013270 WFQVBNMTWSKJGE-CQSZACIVSA-N 299.311 3.840 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)CC1CCCCC1 470490577 AHXAVRZUEPAXOX-RHSMWYFYSA-N 281.440 3.690 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 471716708 XFGOZFVTPYOHFN-HUUCEWRRSA-N 277.795 3.916 30 20 CHED C=CCCCCNC(=O)c1cn(CC)c2ccccc12 474684223 REVHJTFPPWZILH-UHFFFAOYSA-N 270.376 3.747 30 20 CHED C[C@H]1CCCC[C@H]1NCC#Cc1cccc(Cl)c1 475149641 DZIDVFDZGUZDAG-XJKSGUPXSA-N 261.796 3.860 30 20 CHED C=CCOCCCOc1ccccc1C(F)(F)F 475996207 IYLKBGCGELHXSX-UHFFFAOYSA-N 260.255 3.677 30 20 CHED CC(C)Sc1ccccc1NC(=O)NCC(C)(C)C#N 476683234 VKQTZVGJYWUVDN-UHFFFAOYSA-N 291.420 3.858 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(CC)C[C@@H](C)C#N 484389611 YKEXWTQZZPXXIQ-GOEBONIOSA-N 278.440 3.991 30 20 CHED N#Cc1ccc(Oc2ncnc3cccc(F)c23)c(F)c1 486928545 SXUKWJYDTDSTRF-UHFFFAOYSA-N 283.237 3.572 30 20 CHED Cc1ccccc1[C@@H](N=c1ccc(C#N)c(C)[nH]1)C1CC1 488051730 ARVPNTWDGSGUKD-SFHVURJKSA-N 277.371 3.555 30 20 CHED Cc1nc(N2CCC[C@H]2/C=C\c2ccccc2)ccc1C#N 488096044 CNBVQEFYRFTSAD-FYGXRCCRSA-N 289.382 3.944 30 20 CHED Cc1cc(F)ccc1C1CCN(c2ccc(C#N)cn2)CC1 488467070 WNFPOMNKQSWYFO-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2ccn(C)c2c1 488526579 ZUWMNMIHKGXXCY-HNNXBMFYSA-N 283.375 3.751 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@H](C)c1cccc(OC)c1 488882249 UZWOWCBDDUNDJE-HOCLYGCPSA-N 287.403 3.756 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 488972122 SURKATLOKGZNPQ-INIZCTEOSA-N 296.414 3.686 30 20 CHED C#CCN(C(=O)c1cc2cccnc2s1)C1CCCCC1 491761287 VIFAPHRZLBIQDG-UHFFFAOYSA-N 298.411 3.704 30 20 CHED CC[C@H](CC(=O)N(CCC#N)CC(C)(C)C)C(C)C 494297960 KMENHBOPUXTHMV-CQSZACIVSA-N 266.429 3.847 30 20 CHED Cc1cccc(OCCCN[C@@H]2CCC[C@H](C#N)C2)c1C 494495205 MOJJLEVSBYMJJR-DLBZAZTESA-N 286.419 3.744 30 20 CHED COCC[C@H](N[C@H](C)c1ccc(C#N)cc1)C(C)(C)C 509000638 UIRZHLDMGMNLCS-CJNGLKHVSA-N 274.408 3.660 30 20 CHED Cc1cc(C)c(CNC(=O)c2cccc(C#N)c2C)c(C)c1 509160620 HXZLSYSOTDTQFA-UHFFFAOYSA-N 292.382 3.722 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@H](C)C2)c1 510643374 GAYMEZCEMXLZJU-UONOGXRCSA-N 288.391 3.952 30 20 CHED CSc1ccccc1COc1cccc(F)c1C#N 511863693 PVDSPYTYBYWROM-UHFFFAOYSA-N 273.332 3.998 30 20 CHED N#Cc1cccc(NC/C=C/c2ccc(F)c(F)c2)c1 511909156 HTGPGTMZISGVJB-DUXPYHPUSA-N 270.282 3.962 30 20 CHED N#Cc1cccc(CNC/C=C/c2ccc(F)c(F)c2)c1 512027265 UJFCAZXQTPAHOH-GORDUTHDSA-N 284.309 3.639 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](C)CC 512727317 FYDBJHAPELCTON-NWDGAFQWSA-N 289.379 3.513 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CC23CCCCC3)cc1 514756088 PODCPXWEIWMYCM-IAGOWNOFSA-N 296.414 3.900 30 20 CHED C[C@@H](C(=O)N(C)c1cccc(C#N)c1)c1cccc(Cl)c1 525655789 BGOGCXWWHYRECK-GFCCVEGCSA-N 298.773 3.978 30 20 CHED C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)[C@@H]1C1CC1 528912498 IUIITOCXWWMRAM-YIVQXAGMSA-N 296.395 3.765 30 20 CHED C=CCN(C(=O)C1CC(C)C1)c1nc2c(s1)CCCC2 530763394 CRPJVCRKANWYNN-UHFFFAOYSA-N 290.432 3.587 30 20 CHED C=C[C@H](CC(=O)Nc1cccc2nccn12)c1ccccc1 534000247 MZVBPQZYRPJBLV-CQSZACIVSA-N 291.354 3.633 30 20 CHED Cc1ccc2nc(-c3ccc(C#N)cc3F)[nH]c2c1 536135513 IWLGUUFJWSAREQ-UHFFFAOYSA-N 251.264 3.549 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)n([C@H](C)C2CC2)n1 537449811 KZLYFKQSYWAYOK-GXTWGEPZSA-N 289.423 3.637 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2ccccc2n1C 538335293 GFXZPAVOLVQWQS-CYBMUJFWSA-N 270.376 3.653 30 20 CHED C=CCN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 539034814 JJMAXRFMPHPHRG-QWRGUYRKSA-N 275.314 3.532 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)CCc1ccco1 539391550 KULBJOBBUSXTGR-UONOGXRCSA-N 278.396 3.645 30 20 CHED C=CCC[C@@H](CC)Nc1cccc(-c2nnc(C)n2C)c1 539733474 STVVKNBFANKZFI-OAHLLOKOSA-N 284.407 3.947 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N1CCC(CC#N)CC1 541976835 QBXNSIXQIFVRDH-MRXNPFEDSA-N 298.430 3.798 30 20 CHED CCCCC[C@@H]1CCCN1c1nccc(C)c1C#N 542278571 YVKYNLMUSBNQBM-CQSZACIVSA-N 257.381 3.811 30 20 CHED C=CCSCCNC(=O)c1cc(CCC)c(C)s1 542817283 ABNKHKBZGHEFJW-UHFFFAOYSA-N 283.462 3.658 30 20 CHED N#Cc1cc(F)ccc1NCCc1ccc(F)c(F)c1F 543133723 WWYJJEJTAPILGV-UHFFFAOYSA-N 294.251 3.769 30 20 CHED Cc1cn(CCOc2ccccc2C(F)(F)F)cc1C#N 543875879 QVOYEWMRQFJHRL-UHFFFAOYSA-N 294.276 3.766 30 20 CHED C=CCCCCNC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 546027165 VRXMAPVXVXAVSK-JSGCOSHPSA-N 276.380 3.559 30 20 CHED C=CCCCc1nc(-c2ccnc(O[C@@H](C)CC)c2)no1 546490340 FAPFEVIOEYFAKX-LBPRGKRZSA-N 287.363 3.818 30 20 CHED C=CCC(CC=C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 546937263 BUPOWNOZQVPWJY-UHFFFAOYSA-N 285.303 3.881 30 20 CHED CC[C@H](C#N)NC(=O)c1sc(C2CCCCC2)nc1C 547331179 SPZQKDSYSLZJPN-GFCCVEGCSA-N 291.420 3.531 30 20 CHED N#Cc1ccc(C(=O)NCC23CCC(CC2)C3)cc1Cl 548286848 AQUOYPNSSHPBSU-UHFFFAOYSA-N 288.778 3.522 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C[C@H]2C=CCCC2)c1 552576642 JFRWIVZIDWBNTN-ZDUSSCGKSA-N 295.386 3.817 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C#N)ccc1Cl 556968909 NGPSSQPHXHVZNT-NSHDSACASA-N 276.767 3.686 30 20 CHED C=CCC[C@H](CC)N[C@@H](CN(C)C)c1ccc(F)cc1 562056255 QBECJXZXCDLNRC-IRXDYDNUSA-N 278.415 3.763 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(c2ccc(Cl)cc2)CC1 563989872 MHXZHEXSDIDOJH-CQSZACIVSA-N 292.810 3.983 30 20 CHED CC#CCCCc1nc(-c2ccc(OC(C)C)cc2)no1 564227362 ITOQFTODFSLYKO-UHFFFAOYSA-N 284.359 3.870 30 20 CHED Cc1ccc(NC[C@H](C#N)CCC#N)cc1OC(C)C 564406303 UPFYGFLOPJACEZ-AWEZNQCLSA-N 271.364 3.638 30 20 CHED CC(C)Oc1ccc(CN2CCC(CCC#N)CC2)cc1 564915863 DLMMFAJKQAQEDA-UHFFFAOYSA-N 286.419 3.990 30 20 CHED CCc1ccc([C@@H](Nc2cc(C#N)ncn2)C(C)C)cc1 571005749 CDCIBDUCTHAPRN-KRWDZBQOSA-N 280.375 3.720 30 20 CHED C=CCC(C)(C)c1noc([C@]2(F)CCN(C(C)(C)C)C2)n1 573584242 CKBLWHNCZQNNBZ-INIZCTEOSA-N 295.402 3.592 30 20 CHED C=CCCCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] 580328263 PWYUUEMNCSCRGJ-CQSZACIVSA-N 260.337 3.528 30 20 CHED CC(C)Cc1noc(CSc2cccc(F)c2C#N)n1 580516264 FUIBNPSCRRWBDK-UHFFFAOYSA-N 291.351 3.571 30 20 CHED C=C[C@@H](Cc1nc(-c2ccn(C)c2)no1)c1ccccc1 582447030 RTTRVXSUEIRCBG-ZDUSSCGKSA-N 279.343 3.587 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)N(C)CC(C)(C)C#N 583856891 KKTFDTLMQXFRRC-UONOGXRCSA-N 279.428 3.536 30 20 CHED CC1(C)CCC[C@@H](NC(=O)CCCCCC#N)C1 588164893 YWUVWCJSWIOXLW-CYBMUJFWSA-N 250.386 3.545 30 20 CHED CC(C)Oc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1 589799735 GNAROPVOSPOWDE-UHFFFAOYSA-N 298.317 3.737 30 20 CHED C[C@@H](CCC#N)CN1C[C@H](C)CN(C)c2ccccc21 589821099 TXAPOBLCQREXJM-LSDHHAIUSA-N 271.408 3.519 30 20 CHED CCc1ccc2nccc(N3CCC[C@@](C)(C#N)C3)c2c1 590697175 PAGLYERBUILUKF-SFHVURJKSA-N 279.387 3.927 30 20 CHED C[C@H](NC(=O)NCCC(C)(C)C1CC1)c1cccc(C#N)c1 590808508 KGSOEDNVQKCARU-ZDUSSCGKSA-N 299.418 3.745 30 20 CHED C[C@@H]1CC(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H](C)C1 591064057 ZMUCYKOBZRKWKN-DSIZOQBWSA-N 296.414 3.603 30 20 CHED C[C@H](c1ccccc1)n1cc(N[C@@H]2CC[C@H](C#N)C2)cn1 592393726 KKJURIBXNIAXSC-IJEWVQPXSA-N 280.375 3.597 30 20 CHED N#CCCC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 592517294 XUXOHGFUBFOVHF-UHFFFAOYSA-N 294.402 3.592 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 593451161 VHJITRLJXCQNCO-ABAIWWIYSA-N 290.794 3.847 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 593984935 DMBDFYSDJMQDNY-HDMKZQKVSA-N 298.430 3.822 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](c1cccc(Cl)c1)C(C)C 594097527 OIEJHYZALKRTMO-HUUCEWRRSA-N 292.810 3.840 30 20 CHED CC[C@H](C)CCNC(=O)N[C@H](CCC#N)c1ccccc1 595569131 RFGSORNNOOLFBM-GOEBONIOSA-N 287.407 3.767 30 20 CHED CCc1cccc(CC)c1NC(=O)N1CCC[C@@H](CC#N)C1 596636871 XRNZNWTVRDQDLP-AWEZNQCLSA-N 299.418 3.969 30 20 CHED C=CC[C@@H]1CCCN(Cc2ncc(CSC)s2)C1 597185703 BFUTZZJKPQMRJT-GFCCVEGCSA-N 282.478 3.794 30 20 CHED CC[C@@H](CNC(=O)C(C#N)(CC)CC)c1ccccc1 598989453 ZBLADXAWMIZDPZ-AWEZNQCLSA-N 272.392 3.626 30 20 CHED Cc1ccc(OC2CCCC2)c(-c2cnn(CC#N)c2)c1 600779236 REXQLPZJKRBWKX-UHFFFAOYSA-N 281.359 3.704 30 20 CHED N#C[C@H](Sc1ccc(Br)cc1)C1CC1 601071215 XRHRDNHJWXCVCG-NSHDSACASA-N 268.179 3.843 30 20 CHED C[C@@H](CCC#N)CNc1ccccc1OCC(F)F 602493206 QNLCCHMQBJWWKX-NSHDSACASA-N 268.307 3.682 30 20 CHED Cc1ccc(OC(F)F)c(CNC[C@@H](C)CCC#N)c1 602565854 AUWSFKJJPOVBCC-LBPRGKRZSA-N 282.334 3.626 30 20 CHED C[C@@H](CC#N)NCc1ccc(-c2ccsc2)cc1 602871267 PLYWDXBVUUHVNC-LBPRGKRZSA-N 256.374 3.807 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc2c(Cl)cccc2s1 604545445 SQMJUWCWCXXKOO-AWEZNQCLSA-N 292.791 3.977 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 609920996 CTNUWUVTXIQIOR-NSHDSACASA-N 284.290 3.716 30 20 CHED CC1CCC(C)(NC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 610404797 KLMGGRJMPNTPFL-TXKKKEFDSA-N 299.418 3.887 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1c(Cl)cccc1Cl 611497351 LIXMFRSLDLDFSV-SECBINFHSA-N 285.174 3.661 30 20 CHED C[C@@H](CCc1cccc(F)c1)N1CCC[C@](C)(C#N)C1 612406527 ORYQMIJHASHGSW-WMLDXEAASA-N 274.383 3.772 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2nc(C(C)C)oc2C)C1 617778309 CSYBVVIHYCYOLG-CYBMUJFWSA-N 276.380 3.535 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CSCc1ccc(F)cc1 618758828 AXAKRELLBMYYLA-OAHLLOKOSA-N 293.407 3.626 30 20 CHED C=CCC1(NC(=O)[C@H](C)Sc2ccccn2)CCCC1 619107557 DXYGKQTWFVJDOJ-ZDUSSCGKSA-N 290.432 3.567 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccccc1Cl 620863955 JTYROYUQHFTECB-UHFFFAOYSA-N 265.784 3.744 30 20 CHED C=CCN(C(=O)[C@H](OCC)c1ccccc1)C(C)(C)C 622943975 ZKRGTCDHAFYDTO-OAHLLOKOSA-N 275.392 3.577 30 20 CHED C=CCC[C@H](Nc1cnn(CCF)c1)c1ccco1 624127412 GMDRNCMTCWQPHV-ZDUSSCGKSA-N 263.316 3.565 30 20 CHED C=C(C)COc1cccc(N[C@H](c2nccn2C)C2CC2)c1 638251777 QEXIOSZQTNVXGJ-KRWDZBQOSA-N 297.402 3.938 30 20 CHED C=CCC[C@@H](CC)N[C@H](CCO)c1ccccc1F 647345125 DZRGYCBWKHYYMV-CZUORRHYSA-N 265.372 3.584 30 20 CHED C=CC[C@H]1CCCC[C@H]1NC1CCN(CC(=C)C)CC1 657876671 ZIKRJTYBTGQLIB-FUHWJXTLSA-N 276.468 3.751 30 20 CHED C=CCN(Cc1ccc(-n2ccnc2)cc1)C(C)(C)C 661759876 KRQGJHRNHIKGLF-UHFFFAOYSA-N 269.392 3.659 30 20 CHED C=CCCNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 665946625 QZBOHGTZJCNTCP-QGZVFWFLSA-N 284.403 3.814 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 675157234 OANBOMZZIMGJMG-AEFFLSMTSA-N 269.388 3.601 30 20 CHED COCC#CCN[C@@H](Cc1ccccc1)c1sccc1C 680393787 CNKYKDBSHBJJMG-KRWDZBQOSA-N 299.439 3.580 30 20 CHED C=CCOc1cccc(CN(C)Cc2ccn(CC)c2)c1 682999512 IXGCXTMZZCCYAK-UHFFFAOYSA-N 284.403 3.705 30 20 CHED C[C@H](NC1CC2(CCC2)C1)c1ccc(OCC#N)cc1 697709419 KIJGMXFGZUOZKF-ZDUSSCGKSA-N 270.376 3.572 30 20 CHED C#C[C@](C)(CC)NC(=O)c1cc(SC)ccc1Cl 700626999 XVWLIYFSJAVHMA-CQSZACIVSA-N 281.808 3.594 30 20 CHED C#C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C 702244603 ODJDULVUFAPCKW-GFCCVEGCSA-N 284.186 3.771 30 20 CHED CCCCCCCNC(=O)c1c(F)cc(C#N)cc1F 703709780 ZHKVGFUIPVGDTM-UHFFFAOYSA-N 280.318 3.537 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1C#N 714401290 UBFAWAAMFFLDDA-GXFFZTMASA-N 276.767 3.976 30 20 CHED C=CCCOC(=O)c1cc2ccc(F)cc2s1 729073239 IKNJBZMYGNEODB-UHFFFAOYSA-N 250.294 3.773 30 20 CHED CCOc1ccccc1C=NNCCCc1ccccc1 729146384 UNLIUCXAFDLWDM-UHFFFAOYSA-N 282.387 3.642 30 20 CHED N#CCCCSc1nnc(-c2ccccc2)s1 729939326 BGFUJIDICQRNLN-UHFFFAOYSA-N 261.375 3.601 30 20 CHED C#CCOc1ccccc1OCc1cc(C)sc1C 730567054 VAPRMWKYMBERTD-UHFFFAOYSA-N 272.369 3.956 30 20 CHED C#CCCCOC(=O)[C@@H](CC)Sc1ccccc1 732496846 DEWYZTPJMHTMPJ-CQSZACIVSA-N 262.374 3.514 30 20 CHED C#CCOc1ccc(CN[C@@H](C)Cc2ccccc2C)cc1 733325067 VGLXKEXNAWBBGP-KRWDZBQOSA-N 293.410 3.728 30 20 CHED COc1ccc(C(C)=NNc2c(F)cccc2F)c(O)c1 735615199 LLRJXMWETUTPIL-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)/C=C\c1ccccc1C#N 736052913 MLPJWTBRWDDGQG-CFYYFVFUSA-N 284.403 3.902 30 20 CHED C=CCCCCCN(C)C(=O)c1ccccc1NC(=O)O 736097744 PXMVEBGSZOOVQQ-UHFFFAOYSA-N 290.363 3.595 30 20 CHED Cc1ccc(NN=Cc2c[nH]c3ccc(C(=O)O)cc23)cc1 738632599 JFUAFUSKFMMUMZ-UHFFFAOYSA-N 293.326 3.621 30 20 CHED Cc1cc(C=NNc2cccc(C(F)(F)F)n2)ccc1F 739420888 AJIHMLZLKLXIKO-UHFFFAOYSA-N 297.255 3.994 30 20 CHED COC(=O)C(C)(C)c1ccc(N=Cc2ccccc2O)cc1 741464965 RSBVSMZFNUYGQT-UHFFFAOYSA-N 297.354 3.593 30 20 CHED CCC(CC)CN(CCC#N)CC(F)(F)C(F)F 744405952 ZWVYCSRODUBYBP-UHFFFAOYSA-N 268.298 3.539 30 20 CHED Fc1ccccc1C=NOCCCOc1ccccc1 745581158 GZOYROZOKZTNOZ-UHFFFAOYSA-N 273.307 3.645 30 20 CHED Clc1cccc2c1CCC2=NOCc1cccnc1 746577443 RMXKNVMLKILQOK-UHFFFAOYSA-N 272.735 3.602 30 20 CHED C(=NOCc1cccnc1)c1cnc(-c2ccccc2)s1 746588195 LGZACHJRJZTZSF-UHFFFAOYSA-N 295.367 3.756 30 20 CHED CCON=C1CCOc2c(Cl)ccc(Cl)c21 748583039 SDGDJJNWXBHKMU-UHFFFAOYSA-N 260.120 3.517 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccccc2F)co1 752883186 BAVQSBBYWYIPPD-BQYQJAHWSA-N 259.280 3.833 30 20 CHED C#Cc1cccc(NCc2ccc(C#N)cc2OC(F)F)c1 753122245 NVRBHBHMLCUQCB-UHFFFAOYSA-N 298.292 3.753 30 20 CHED CCCC(CCC)C(=O)OCc1ccc(OCC#N)cc1 753433880 VMDCDNTUJXSMIQ-UHFFFAOYSA-N 289.375 3.849 30 20 CHED C[C@@H]1CC/C(=C/C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 753804231 ZMKWVGLMIQHBNV-BIIGBYBUSA-N 280.327 3.750 30 20 CHED CCCCNN=Cc1cc(Cl)c(OC)cc1Cl 753924364 QMLOZKUQNWYLNQ-UHFFFAOYSA-N 275.179 3.726 30 20 CHED Cc1ccc(C(C)C)c2c1C(=NNc1cccnn1)CCO2 753931808 IDRLXJYLBCNIJW-UHFFFAOYSA-N 296.374 3.507 30 20 CHED C#C[C@@H](CC)NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 754366190 GCOBBPNMIDFIJR-PBHICJAKSA-N 271.404 3.832 30 20 CHED C#C[C@@H](CC)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 754393636 CKSZYJSTGLBBQH-UWVGGRQHSA-N 284.186 3.625 30 20 CHED Fc1cc(C=NOCc2ccccc2)ccc1OC(F)F 754706809 QDQPQVQAWXDSEO-UHFFFAOYSA-N 295.260 3.978 30 20 CHED C=CCc1cc(OC)cc(CN(C)C[C@H](C)CC)c1O 754726354 QAOCOLOSKLFSFB-CYBMUJFWSA-N 277.408 3.607 30 20 CHED CCc1nc(C=NNc2ccc3ccccc3n2)cs1 755488849 RBUMVQCXVDLYSL-UHFFFAOYSA-N 282.372 3.700 30 20 CHED Cc1nc(CC(C)C)c(C(=O)OCCCCC#N)s1 756287782 OSIHXMRDEURSER-UHFFFAOYSA-N 280.393 3.501 30 20 CHED CC(C)OC(=O)O[C@@H](C)Sc1ccc(C#N)cc1F 756950336 CZBNVGDEQPFZGU-SECBINFHSA-N 283.324 3.697 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1cc(Cl)ccc1O 757468318 QEXFYXUKFSYGKD-RJRFIUFISA-N 294.137 3.990 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1cc(F)ccc1F 757475312 RNEGQFVJYOQPHF-KTAJNNJTSA-N 279.673 3.909 30 20 CHED CCn1nccc1/C=C1\CCc2c(Cl)cccc2C1=O 758041061 VMVCPXOZTZXPLQ-ZHACJKMWSA-N 286.762 3.769 30 20 CHED C(=NNC1CC1)c1c(-c2ccccc2)[nH]c2ccccc12 758128992 GPFGLLLPXJXAMP-UHFFFAOYSA-N 275.355 3.921 30 20 CHED C=C(C)CNC(=S)N[C@H](c1ccc(F)c(C)c1)C1CC1 758271084 BJWVPSJRMNANNK-HNNXBMFYSA-N 292.423 3.625 30 20 CHED C#CCCCCNc1nn2cc(-c3ccccc3)nc2s1 758473410 IPESUXWAYIJOEK-UHFFFAOYSA-N 296.399 3.673 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)Cc2ccc(F)cc21 759084778 QSTQUZHOLDKIGJ-YWEYNIOJSA-N 279.723 3.758 30 20 CHED COc1cccc(NN=Cc2cc(C)sc2C)c1 760240283 WRKXDWXPJTZMDG-UHFFFAOYSA-N 260.362 3.820 30 20 CHED C#CCCCCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 764158745 MWDPYBXWPJWVNO-UHFFFAOYSA-N 290.363 3.988 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1cc2c(s1)CCCC2 764432784 NBKDDKMMLNTRFJ-BQYQJAHWSA-N 286.400 3.863 30 20 CHED C[C@@H]1CCC(=NNc2cc(C#N)cc(Cl)n2)C[C@H]1C 767386575 SUNKWLUVGBMRNT-NXEZZACHSA-N 276.771 3.831 30 20 CHED COc1cccc(C(=O)OCCCCC(C)(C)C#N)c1 768374517 RUGBJQVKJDTPBZ-UHFFFAOYSA-N 275.348 3.572 30 20 CHED COc1cccc2cc(/C=C\C(=O)c3ccco3)oc12 769771609 RBLLWPMMFJQADB-FPLPWBNLSA-N 268.268 3.931 30 20 CHED Cc1cc(C=NNc2ccc(F)c([N+](=O)[O-])c2)ccc1F 769830458 MXRWJEXGHBZKSX-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C[C@H]1C[C@H](OC(=O)c2ccc(C#N)s2)CC[C@H]1C 770996102 SFWHVHZUSQKYNI-OUAUKWLOSA-N 263.362 3.601 30 20 CHED COc1c(Cl)cc(Cl)cc1C=NNCC(C)C 771565938 ALJNTTZHGMRLNU-UHFFFAOYSA-N 275.179 3.582 30 20 CHED CCC(=NNc1cc(Cl)nc(C)n1)c1ccc(C#N)cc1 773058273 MDKJCUVJWYZZJL-UHFFFAOYSA-N 299.765 3.536 30 20 CHED O=C1/C(=C\c2ccc3ncccc3c2)Oc2cc(F)ccc21 773173875 UNEYZSOCHPWZHR-RQZCQDPDSA-N 291.281 3.990 30 20 CHED CCCCCCCCCCN1CCN([C@H]2CCOC2)CC1 773480388 CAHJRHQODQQKKC-SFHVURJKSA-N 296.499 3.534 30 20 CHED C#CCCCC(=O)OCc1cccc(Cl)c1Cl 773481964 OOPMRVIOKUHCSC-UHFFFAOYSA-N 271.143 3.840 30 20 CHED O=C1/C(=C/c2cccc(O)c2)CCc2ccc(F)cc21 776192491 KDKBYTCSDJEXKF-MDWZMJQESA-N 268.287 3.744 30 20 CHED N#C[C@H](OC(=O)[C@@H]1CC12CCCC2)C1CCCCC1 776394410 XHQRMDRBDSCYLX-KBPBESRZSA-N 261.365 3.582 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1F 776727280 USTSGXKBHSEJAL-BQYQJAHWSA-N 296.257 3.502 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccc(F)nc2)cc1 777446536 MUJJLTVWBHYZJE-UHFFFAOYSA-N 271.339 3.964 30 20 CHED Fc1cccc2[nH]cc(C=NNc3cc(Cl)ccn3)c12 777905885 BKWLEQMQDKBMNB-UHFFFAOYSA-N 288.713 3.801 30 20 CHED COc1cccc(NN=C(C)CCc2cccc(F)c2)n1 779817946 VOPXHCSRSDAASQ-UHFFFAOYSA-N 287.338 3.650 30 20 CHED COC(=O)c1cccc(NN=Cc2ccc(Cl)s2)c1 779827355 KBLZVLVXFGWVAO-UHFFFAOYSA-N 294.763 3.634 30 20 CHED Fc1cc(NN=Cc2cnc(-c3ccccc3)s2)ccn1 781126939 HNHDTFQYFOBZSX-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Fc1ccc(NN=Cc2scnc2C2CC2)c(F)c1 782097124 GBUMVMTVESJPTD-UHFFFAOYSA-N 279.315 3.745 30 20 CHED CO[C@@H](C(C)=NNc1cccc([N+](=O)[O-])c1)c1ccccc1 782118217 ALBUWFISOVGFBA-INIZCTEOSA-N 299.330 3.770 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cccc(OCCCC#N)c1 782285535 DFEYHQRERZPVBP-KRWDZBQOSA-N 299.418 3.871 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCc2ccsc2)C1 783506734 VUKGHCLZSJYWGQ-CZUORRHYSA-N 290.432 3.659 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2ncccc2[N+](=O)[O-])C1 783854455 SCKACBKHDVSBQI-NEPJUHHUSA-N 276.340 3.604 30 20 CHED CC(C)Sc1cccc(Cl)c1C=NNC[C@H](C)C#N 786036490 KQLQHGSQCIALDC-LLVKDONJSA-N 295.839 3.924 30 20 CHED C=CCC[C@H](C)N[C@@H](C(C)C)[C@H](O)c1ccccc1 788623181 VKITVECYCATZOC-BHYGNILZSA-N 261.409 3.689 30 20 CHED CC1(C)CCC1=NNc1nc(-c2ccc(Cl)cc2)no1 789018094 OEMUHLROVKMBBE-UHFFFAOYSA-N 290.754 3.978 30 20 CHED Cc1ccc(C(=O)OCC2(CC#N)CC2)c(F)c1Cl 789437894 LULPVBVAPYKJPH-UHFFFAOYSA-N 281.714 3.638 30 20 CHED CC[C@@H](C)NN=Cc1cn(-c2ccccc2)nc1C(C)(C)C 790190184 OSEKBYBRWNEYEN-CQSZACIVSA-N 298.434 3.892 30 20 CHED CCCCCCCCCN1CCN(CC(C)(C)O)[C@H](C)C1 792297102 HTULYDQTLDCLBQ-QGZVFWFLSA-N 298.515 3.514 30 20 CHED CC1(CNN=Cc2ccc(C(F)(F)F)[nH]2)CCCC1 793084344 MJUXPZINMRGGAF-UHFFFAOYSA-N 273.302 3.537 30 20 CHED Fc1cc(F)c2c(c1)C(=NNc1cccc(Cl)n1)CC2 793174002 FZOFGRUNDFEUPV-UHFFFAOYSA-N 293.704 3.776 30 20 CHED N#CCCCOc1cccc(CN2CCC(F)(F)CC2)c1 793361798 LUVSZNHGTHSBRO-UHFFFAOYSA-N 294.345 3.600 30 20 CHED C=CCCCCC[C@H](C)NCC1(N(C)C)CCC1 793556937 JAODCRUNHGNWOA-HNNXBMFYSA-N 252.446 3.585 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(C#N)cn1 793558373 SDUVIKVSOIISOK-AWEZNQCLSA-N 257.381 3.568 30 20 CHED COc1c(Cl)cc(Cl)cc1C=NOCCSC 794571902 HXYYVRSYDBEFCW-UHFFFAOYSA-N 294.203 3.716 30 20 CHED N#Cc1ccc(COC(=O)CCC2CCCC2)c(F)c1 794626862 GAYJPYLZCHTPBQ-UHFFFAOYSA-N 275.323 3.711 30 20 CHED CC(=NNc1ccccc1F)c1ccc2n[nH]cc2c1 794889338 WAESGXXWVGIPIF-UHFFFAOYSA-N 268.295 3.538 30 20 CHED COc1ccc(NN=C2CCC[C@@H]2c2ccccn2)cc1 794923621 QAGNEFAIWZKZSV-OAHLLOKOSA-N 281.359 3.826 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1cc(F)cc(F)c1 794941639 SWVOXUHOIDFSLY-ONEGZZNKSA-N 276.286 3.638 30 20 CHED Cc1ccccc1C(=NNc1ncccc1F)C1CC1 794984849 OFMCDBNXEIHXOR-UHFFFAOYSA-N 269.323 3.755 30 20 CHED C#CCCCN[C@H](C)c1cc(C)c(OC)c(Cl)c1 796777531 QZXMJFYYCGPNMW-GFCCVEGCSA-N 265.784 3.721 30 20 CHED C=CCOCCOC(=O)c1sc2cc(F)ccc2c1C 797306536 QBDCLKRBFGHWBD-UHFFFAOYSA-N 294.347 3.708 30 20 CHED CSc1ccc([C@@H](C)/N=C\c2cccc(O)c2O)cc1 798343404 GDIWLRHYQQNHHG-VBYYMIJXSA-N 287.384 4.000 30 20 CHED O=C(/C=C/c1ccccc1)c1ccnn1-c1ccccc1 798371168 JADODQPZJYXKNY-VAWYXSNFSA-N 274.323 3.768 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H]1CCCC(F)(F)C1 800721461 NPSPDPFQAJSTMF-VDCVXVNISA-N 283.318 3.645 30 20 CHED C[C@@H](C#N)OCCN(c1ccsc1)C1CCCCC1 801951434 FNEVCIKOFTVSOE-ZDUSSCGKSA-N 278.421 3.816 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccccc1SC 802840404 WHOOUTSCLUTCKE-XHDPSFHLSA-N 277.389 3.953 30 20 CHED CCCCCCCC(=O)NC[C@H](O)c1ccc(CC)cc1 804157849 GJCKKZXNVSAIEA-KRWDZBQOSA-N 291.435 3.759 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@H](C)SCCCC 804836812 IAEQWHVSJQSNDK-HNNXBMFYSA-N 289.444 3.570 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCCN1C1CCCC1 805217580 DYZCMAPGIRPLFF-QGZVFWFLSA-N 292.467 3.646 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(F)cc(Cl)cc1F 806391416 WZDZOUCQJUCAFK-VIFPVBQESA-N 286.709 3.542 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2cc(OC)ccc2c1 806613584 WMZAOUXUVXTJTK-UHFFFAOYSA-N 284.359 3.888 30 20 CHED C#C[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)(C)C 807880457 XOIOLYAZNVTUQP-QGZVFWFLSA-N 279.383 3.546 30 20 CHED C=CCCCCOC(=O)CCc1ccccc1OC 811012547 OMEOEBMIBLFGIX-UHFFFAOYSA-N 262.349 3.527 30 20 CHED C=CCCCCOC(=O)c1ncoc1-c1ccc(F)cc1 811012999 GALFOISTBVEPFR-UHFFFAOYSA-N 289.306 3.994 30 20 CHED CC(C)[C@@H]1CCCC(=NNC[C@H]2CCSC2)C1 811658361 JGRONSCLKUKTOE-CHWSQXEVSA-N 254.443 3.531 30 20 CHED Clc1ccc(NN=Cc2ccc(C3CCC3)cc2)nn1 814698160 SXKTXKZWWNMIIH-UHFFFAOYSA-N 286.766 3.844 30 20 CHED CO[C@](C)(C=NNc1ncc(Cl)cc1Cl)C1CC1 814739840 CFOGGYXAPWNXKK-GFCCVEGCSA-N 288.178 3.601 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1cccc(Cl)c1F 814818981 RUNOLCNVRJOJNU-UHFFFAOYSA-N 298.745 3.912 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CC[C@H]2C2CCC2)o1 814820795 PLDKVURCNHKVIS-LBPRGKRZSA-N 286.379 3.723 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)[C@@H](C)CCCCC(=O)O 814937928 RUUXTGIOIDFVIZ-AAEUAGOBSA-N 270.417 3.668 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 815004288 DAMCYULQPBGEPU-AVGNSLFASA-N 271.351 3.625 30 20 CHED CCSCCC=NNc1cc(Cl)nc(Cl)c1 819828528 GXLWBIMHOHRMIJ-UHFFFAOYSA-N 278.208 3.929 30 20 CHED CC(C)c1ccccc1C(=O)N(C)Cc1cccc(C#N)c1 821085142 CHWDBXKEFOKBIL-UHFFFAOYSA-N 292.382 3.954 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 826777537 ZOJCTPGDASTIFA-RDJZCZTQSA-N 282.387 3.662 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3ccccn3)C2)CCCC1 831195934 PBKMCNBVYJEQCL-HNNXBMFYSA-N 284.403 3.534 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(C)cc2OC)c1 834904390 XRQPNQAVKMTXEU-HNNXBMFYSA-N 279.383 3.836 30 20 CHED CCC(=NNc1cnc2ccccc2n1)C1CCC1 834955853 SIJZAJKYDRSDMB-UHFFFAOYSA-N 254.337 3.608 30 20 CHED C[C@@H](CNC(=O)Nc1cccc(CC#N)c1)C(C)(C)C 836765177 PURCUDPOVXZZAU-LBPRGKRZSA-N 273.380 3.556 30 20 CHED CCN(Cc1c[nH]c2ccccc12)C(=O)C#CC(C)(C)C 837570105 UJIGEMPEYSUCIL-UHFFFAOYSA-N 282.387 3.566 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1ccnnc1 839144159 SFSILXGKNVDMQU-UHFFFAOYSA-N 278.400 3.691 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)/C(C)=C\C(C)(C)C 839425205 LRWCSLDGLGAVKG-LUAWRHEFSA-N 284.359 3.692 30 20 CHED COc1cccc(/C=N\[C@@H](C)CCCc2cccnc2)c1O 840712384 YCYZQKWLQJCQAH-DABDWFRDSA-N 298.386 3.626 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(OC)cc2C)c1 840756736 DVYREMOFSPRVHK-OAHLLOKOSA-N 279.383 3.836 30 20 CHED CC(CCCCC#N)=NNc1ccc(F)cc1F 841604113 MGDSVUIWPVUMTI-UHFFFAOYSA-N 251.280 3.837 30 20 CHED CC(C)c1cnn(Cc2cc(Cl)ccc2OCC#N)c1 842655447 MRKFCWNMDOJBHK-UHFFFAOYSA-N 289.766 3.611 30 20 CHED CC[C@H](C#N)C(=O)N1CCCc2cc(C(C)C)ccc21 845229270 PZXVWIUGIINOBW-CYBMUJFWSA-N 270.376 3.639 30 20 CHED CSCC1(CC(=O)OCCC#Cc2ccccc2)CC1 845478033 VFOAKTQZOQXUMD-UHFFFAOYSA-N 288.412 3.505 30 20 CHED COc1cccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1O 846145164 OYJQBDQNVZQADQ-STQMWFEESA-N 296.370 3.684 30 20 CHED C=C[C@@H](C)ONC(=O)CCCOc1cccc2ccccc12 846550780 RJUATVZKOXDOMM-CQSZACIVSA-N 299.370 3.621 30 20 CHED CCCCCCCCC(=O)OCc1conc1C 849694897 OMRRTTOJZIGITO-UHFFFAOYSA-N 253.342 3.777 30 20 CHED C=CCC1(NCc2cc(Cl)ccc2OC)CCOCC1 850368663 OCXIZUCDKPAYNS-UHFFFAOYSA-N 295.810 3.564 30 20 CHED Cc1ccccc1C=NOCC(=O)Nc1c(C)cccc1C 852220153 XYQYNUINHWFBTH-UHFFFAOYSA-N 296.370 3.601 30 20 CHED C=CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C 852554217 GWQVEEOUTILMDM-UHFFFAOYSA-N 266.316 3.520 30 20 CHED CCCCC[C@H](C(=O)N1CCC[C@@H](CC#N)C1)C(C)C 855254057 DBLZRQDETPQXCP-HOTGVXAUSA-N 278.440 3.991 30 20 CHED CC(C)(C(=O)N1CCC[C@@H](CC#N)C1)C1CCCCC1 855254672 OSZVEORUVMDHKM-AWEZNQCLSA-N 276.424 3.745 30 20 CHED CC(C)=C(C)C(=O)N(c1ccc(C#N)cc1)C1CCC1 857675854 AJPWAGVBCBDSEA-UHFFFAOYSA-N 268.360 3.800 30 20 CHED C=CC[C@@H](N[C@@H]1CCCc2scnc21)c1ccncc1 858365665 QAVUQPLUWYWVLZ-ZIAGYGMSSA-N 285.416 3.823 30 20 CHED CO[C@H](COC(=O)CCCCCC#N)c1ccc(F)cc1 859691144 ATXLAVXJPWZNHU-OAHLLOKOSA-N 293.338 3.530 30 20 CHED CCCCCCCNC(=O)[C@H](C)Sc1ccccn1 862358896 YYLDZXUOYIRUQD-ZDUSSCGKSA-N 280.437 3.649 30 20 CHED COCc1ccc(/C=C2/CCc3scnc3C2=O)cc1 863196140 AFHJAUKZSVBXPO-JYRVWZFOSA-N 285.368 3.502 30 20 CHED Cc1ccc(N[C@H]2CCCc3cn(C(C)C)nc32)c(C#N)n1 882171503 WVKADJKLPZORDV-HNNXBMFYSA-N 295.390 3.529 30 20 CHED CC(C)CC(CC(C)C)C(=O)N(CC#N)c1ccccn1 892476974 LSZNQIOJCIMYLY-UHFFFAOYSA-N 287.407 3.647 30 20 CHED N#C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C1CCCC1 893705871 YZNMZTIPJPTOIE-CYBMUJFWSA-N 296.292 3.518 30 20 CHED C=C1CC(c2noc(-c3ccc(NC(=O)OCC)cc3)n2)C1 896883950 IZOUXCBLYYSOOM-UHFFFAOYSA-N 299.330 3.739 30 20 CHED COc1ccc(C(=O)/C=C\c2cnn(CC3CCC3)c2)cc1 899336680 XUJBTCDGJBTMSU-YHYXMXQVSA-N 296.370 3.588 30 20 CHED Fc1ccc(CNN=Cc2ccccc2Cl)cc1F 915975719 WJAPUHPEALRKTC-UHFFFAOYSA-N 280.705 3.742 30 20 CHED Clc1ccc(NN=C2CC[C@H]3CCCC[C@@H]3C2)nn1 916288034 KVXSPTZQZYVJTO-GHMZBOCLSA-N 278.787 3.888 30 20 CHED Clc1cccc(NN=Cc2cccc3c2OCCO3)c1 917531539 YLJUUJUUKUGIIO-UHFFFAOYSA-N 288.734 3.557 30 20 CHED CCCCCCCC(=O)Nc1sccc1C(=O)OC 917696097 HTZYNQUAMNSCAY-UHFFFAOYSA-N 283.393 3.834 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccccc2)cc(C)c1O 920386068 PKIHUHZYBKWKIK-CQSZACIVSA-N 268.360 3.694 30 20 CHED COc1cccc(NN=Cc2ccc(Cl)c(F)c2)c1 921259048 VBYCMXBWNBOTIG-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc2nc(O)oc2c1 926792256 YRRAPOCGLCVLJH-QWRGUYRKSA-N 287.363 3.512 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnc(Br)cc1C 933842032 WSOGUZXXGDETNR-JTQLQIEISA-N 297.196 3.693 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H](C)n1ccnc1 1115900403 BMRMLSFTSZKMCS-OAHLLOKOSA-N 279.428 3.653 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(-c3csc(C#N)c3)n2)C1 1117779540 PKNYAMDABVHBNP-NXEZZACHSA-N 273.361 3.963 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(Cl)cc1C#N 1119423656 BEEMUGBEEQYJIH-UHFFFAOYSA-N 262.740 3.752 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 1120707555 JTERKWNNGDELLZ-MRXNPFEDSA-N 285.387 3.607 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1120716431 JBRKHDFCRDOFFA-YOEHRIQHSA-N 287.403 3.961 30 20 CHED C=C(C)CCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 1120736050 GUSBSYYDAYUTSG-ZBFHGGJFSA-N 257.377 3.952 30 20 CHED CCCC[C@@H](C(=O)[C@@H](C#N)c1nccn1CC)C(C)C 1123336843 LWQKBPZNASHTHY-ZIAGYGMSSA-N 275.396 3.542 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 1123780125 NJMAATWPDGJJLO-UHFFFAOYSA-N 285.309 3.665 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cccc(C#N)c1C 1127069350 MFBFOTNDCTUXKF-CYBMUJFWSA-N 258.365 3.878 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](C)CC1CCCCC1 1128435722 YVWNHOBOPUATCX-CYBMUJFWSA-N 284.403 3.955 30 20 CHED CC[C@@H](C(=O)Nc1cccc(C#N)n1)C1CCC(C)CC1 1130316271 IHTDLHDZHGSBPD-SSDMNJCBSA-N 285.391 3.744 30 20 CHED CCO[C@H](CCNc1cc(C)c(C#N)cn1)C1CCCC1 1162711207 FSEJYMOJSIWGQQ-MRXNPFEDSA-N 287.407 3.659 30 20 CHED N#Cc1ncccc1SCc1ncccc1C(F)(F)F 1166183153 WSTSKPGBZPUFAD-UHFFFAOYSA-N 295.289 3.659 30 20 CHED C=CCN(CC=C)Cc1sc(N2CCCCC2)nc1C 1253963344 OIQRXPOZVKJHEM-UHFFFAOYSA-N 291.464 3.616 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1c1cccc(CC#N)n1 1261262016 JMDYKCKIBPGUSZ-KRWDZBQOSA-N 295.361 3.937 30 20 CHED N#Cc1cc(C(=O)NCCC2=CCCCCC2)cs1 1261262397 WOTDCGNFXWPSJQ-UHFFFAOYSA-N 274.389 3.630 30 20 CHED Cc1ccc2c(c1)CCN2c1cccc(F)c1C#N 1307113137 WJDCDDAIZZJIQY-UHFFFAOYSA-N 252.292 3.700 30 20 CHED N#Cc1cnc(NCC2(c3ccccc3F)CCC2)c(F)c1 1307157133 MOIIQKYIMJBNSO-UHFFFAOYSA-N 299.324 3.765 30 20 CHED CCCC1CCN(Cc2ccc(C#N)c(C)c2)CC1 1308593705 CECKTEVHGHOIBS-UHFFFAOYSA-N 256.393 3.879 30 20 CHED Cc1cc(CN2CCc3cccc(C)c3C2)ccc1C#N 1308689366 WUQUMWLNNJSXAE-UHFFFAOYSA-N 276.383 3.733 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H]1CCSc2ccccc21 1320279536 JLUWIZTUYIJVIJ-CYBMUJFWSA-N 274.385 3.816 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3c(Cl)cccc32)nc1 1322766264 LHMWWQDCFZVAJJ-QGZVFWFLSA-N 297.789 3.774 30 20 CHED Cc1cccc([C@@H]2CCCN2c2cccc(CC#N)n2)c1 1324084940 IHKBFVDSCFGELG-KRWDZBQOSA-N 277.371 3.798 30 20 CHED C[C@@H](SCCCC1(C#N)CCOCC1)c1cccnc1 1324105338 OSJROPJITGUMAG-CQSZACIVSA-N 290.432 3.976 30 20 CHED CCCCNc1nnc(S[C@H]2CC[C@@H](C#N)C2)s1 1324719537 CXVYSZWDKMWBCZ-ZJUUUORDSA-N 282.438 3.534 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1O[C@H](C)C#N 1331287452 FSDBLAKQRLAYFE-GFCCVEGCSA-N 272.348 3.518 30 20 CHED CC1=C(C(=O)Nc2ccc(Cl)cc2C#N)CCC1 1331453209 HHADDSJENVFSAZ-UHFFFAOYSA-N 260.724 3.651 30 20 CHED C/C(=C/C(=O)OCc1ccc(C#N)s1)C(C)(C)C 1333181539 IMKJSAMVGTYGNR-YFHOEESVSA-N 263.362 3.655 30 20 CHED Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC1(CC#N)CC1 1339733769 XIMVCVVTYPVQFU-OLZOCXBDSA-N 270.376 3.532 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CC(C)(C)C[C@@H]1C 1340532113 VLEPUEMLUNUXHG-NWDGAFQWSA-N 294.468 3.513 30 20 CHED Cc1cccc2cc(C(=O)O[C@@H]3CC[C@H](C#N)C3)oc12 1342665422 YVJCGGXLNYCMJP-WCQYABFASA-N 269.300 3.590 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@@H](C)CCCC(F)(F)F 1343309401 NKVDKOWTUOTKTJ-QJPTWQEYSA-N 294.313 3.632 30 20 CHED C[C@H](CC(=O)O[C@H]1CC[C@H](C#N)C1)c1c[nH]c2ccccc12 1344034822 JYWGCASQRZVTBJ-RDBSUJKOSA-N 296.370 3.897 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)c2ccc(F)cc2F)C1 1347999286 MQUSTVXVCKVWGW-CHWSQXEVSA-N 293.357 3.883 30 20 CHED C=C(CC(C)C)C(=O)N[C@H]1CCCOc2ccccc21 1348749852 OHIQPLGTMYOFLM-HNNXBMFYSA-N 273.376 3.619 30 20 CHED C=C1CCC(C(=O)NC[C@H](CC)CC(F)(F)F)CC1 1353464067 GDKIKYAETUCXSP-LLVKDONJSA-N 277.330 3.828 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@@H]1CC[C@H](C#N)C1 1357639896 UGISZTZWUNSYLT-QWHCGFSZSA-N 283.327 3.519 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 1357650437 DPEUXPWSAVANBM-GWOFURMSSA-N 295.791 3.740 30 20 CHED CO[C@@H]1CCC[C@@H](Sc2ccc(C#N)c(C)c2)C1 1473049074 MQALVIUOZSTUKY-ZIAGYGMSSA-N 261.390 3.916 30 20 CHED C=C(Cl)CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1473518768 KLCCZUKYAOEKJU-SJORKVTESA-N 287.790 3.803 30 20 CHED N#Cc1cc(NC(=O)NCC2CCCCCC2)ccc1F 1476096647 DJPDNZHOANQAPR-UHFFFAOYSA-N 289.354 3.789 30 20 CHED C=C(C)CCC(=O)Nc1cc(F)ccc1OC(F)F 1516740644 SJYXBEAJRMWXKO-UHFFFAOYSA-N 273.254 3.722 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc2c1CCO2 1517635341 FIYNHILDWPEELK-CYBMUJFWSA-N 286.375 3.584 30 20 CHED CCc1c(C(=O)O[C@@H]2CC[C@H](C#N)C2)oc2ccccc12 1524747813 ZDVRXUDEZURYQU-NWDGAFQWSA-N 283.327 3.844 30 20 CHED CSc1ccc(N(C)C(=O)c2ccsc2C#N)cc1 1530855035 WULODLGLCBDIAA-UHFFFAOYSA-N 288.397 3.618 30 20 CHED N#CC1(CCCCSc2ncccc2C(=O)O)CCC1 1601054270 IQESRSHPFJOYSS-UHFFFAOYSA-N 290.388 3.736 30 20 CHED COc1cc(COc2cccc(F)c2C#N)ccc1C 1613645821 QUJDSWSYWWOFQL-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CC(C)(C)C(=O)/C(Cl)=N/Nc1ccc(Cl)cc1 1615166245 ODVRMEKYHQZMBA-WJDWOHSUSA-N 273.163 3.919 30 20 CHED COc1cc(COc2ccc(C#N)c(C)c2)ccc1C 1641098518 JUXIPZVHDSIQGM-UHFFFAOYSA-N 267.328 3.763 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F 1645049217 ZWIFCJYZIYUTBA-SCVCMEIPSA-N 298.308 3.770 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2c(C#N)cccc2C#N)C1 1650775310 YFGJODMSEMFCEA-JYAVWHMHSA-N 253.349 3.667 30 20 CHED Cc1cc(N2CC[C@H](Cc3ccccc3)[C@@H]2C)ncc1C#N 1651603273 VWTOBSSVUUOKCP-DOTOQJQBSA-N 291.398 3.719 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C)CC1CCC1 1652158967 PYJSXXPUQKMGDC-LBPRGKRZSA-N 258.365 3.948 30 20 CHED CCCc1c(NC2CC(C)C2)cnn1-c1cccc(C#N)c1 1652238653 MJESTSSFSHDCMN-UHFFFAOYSA-N 294.402 3.907 30 20 CHED COc1cc(C#N)ccc1CN(C)Cc1c(C)cccc1C 1654925846 KXRHMESKQMZSLH-UHFFFAOYSA-N 294.398 3.816 30 20 CHED C=C(C)CCC(C)=NNc1ccc(F)c(C(=O)O)c1 1776064517 SFQARCDCORQNSS-UHFFFAOYSA-N 264.300 3.668 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1ccc(F)cc1 1776086115 CNSBDSOJFJBVBF-UHFFFAOYSA-N 286.306 3.668 30 20 CHED C=C(C)CCCN(CC(=O)O)[C@@H](CC)c1ccccc1 1776138555 CQASHPJRVWAIPO-INIZCTEOSA-N 275.392 3.881 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@H](C)C2CCCCC2)C1 1776154638 OPVAKDNKBALLFQ-MAUKXSAKSA-N 293.451 3.946 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@@H](CC)c2ccc(F)cc2)C1 1776158080 NHCPNJZIXHEOPT-RDJZCZTQSA-N 291.366 3.630 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(C(=O)O)s1 1777477269 TYYCPLYSTQEFLW-DUXPYHPUSA-N 278.354 3.712 30 20 CHED CCOc1ccc(C=NNc2ccccc2)cc1OCC 4794956 WLWMNYGDMGYLKO-UHFFFAOYSA-N 284.359 3.930 30 20 CHED CCCC(CCC)=NNC(=S)NCc1ccc(F)cc1 7754899 CWMZPPHSDVUMIX-UHFFFAOYSA-N 295.427 3.746 30 20 CHED Cc1ccccc1Oc1ccc(C#N)cc1[N+](=O)[O-] 18054756 SRLCIWJDBKWSBT-UHFFFAOYSA-N 254.245 3.567 30 20 CHED N#CCCOc1c(Cl)cc(Cl)cc1Cl 20304007 WRHWSFFBFCMHEC-UHFFFAOYSA-N 250.512 3.939 30 20 CHED N#Cc1cccc(CNc2cccc(Cl)c2F)c1 20361875 VMAMUMKDNSECEC-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCOc1ccc(NCc2cccc(C#N)c2)cc1OC 35046416 BMJVBXNHCCSNJQ-UHFFFAOYSA-N 282.343 3.578 30 20 CHED N#CC1(C(=O)NCCC2CCCCC2)CCCCC1 44385927 KNFQZPHCKQRHLA-UHFFFAOYSA-N 262.397 3.547 30 20 CHED N#CCc1cccc(C(=O)Nc2cnc3ccccc3c2)c1 49634602 QIBQPXPQWFDGMG-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)c2ccccc21 49733233 GQFSJPKPLOIWKM-CQSZACIVSA-N 290.366 3.907 30 20 CHED CC[C@@H](CC#N)NCc1ccc(OCCC(C)C)cc1 54183226 NMYZQWYKJUJFCU-INIZCTEOSA-N 274.408 3.893 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1nc2ccccc2[nH]1 54867406 YYHHLLYYWCCUHA-JTQLQIEISA-N 280.306 3.747 30 20 CHED C[C@@H]1CC=CC[C@@H]1COC(=O)C1(C#N)CCCCC1 72029732 FOJJLYJBVZKSRF-ZIAGYGMSSA-N 261.365 3.606 30 20 CHED N#CCSCCCN(Cc1ccc(Cl)cc1)C1CC1 74981907 CZQJCOWPDCEFQA-UHFFFAOYSA-N 294.851 3.951 30 20 CHED Cc1ccc(CC(=O)N[C@H](C)c2cccc(C#N)c2)cc1C 75267997 KVTRPOIEVDKVOV-OAHLLOKOSA-N 292.382 3.595 30 20 CHED N#CCN(Cc1cccc(C(F)(F)F)c1)C1CCCC1 78003494 NYWIZGULZVLVNF-UHFFFAOYSA-N 282.309 3.974 30 20 CHED C=C(C)CN1CCC(NC(=O)C[C@H](C)CCCCC)CC1 80079782 LSJKMMQUNQLLJO-MRXNPFEDSA-N 294.483 3.750 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(Cl)ccc1Cl 87759913 JSYANKKGXIOAIV-VIFPVBQESA-N 257.164 3.727 30 20 CHED C=CCCOCCN[C@H](C)c1cc(C)ccc1OC(F)F 90883452 FAMDOLHEQYPRHE-CYBMUJFWSA-N 299.361 3.840 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc(O)cc1 97514848 HEZFDHUMCIKJFG-YHYXMXQVSA-N 278.307 3.607 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C)c(Br)c1 98072442 SLYGDDWOIJFTDK-UHFFFAOYSA-N 294.192 3.572 30 20 CHED C=CC[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1 116863927 VBJMXNGNYBZPMH-LLVKDONJSA-N 283.824 3.654 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(F)cc1OC(F)F 119361830 BLAQXRWBAQEIIE-IUCAKERBSA-N 259.271 3.652 30 20 CHED Cc1cc(Cl)c(NC(=O)N[C@@H](C)CC#N)cc1Cl 120018160 VQMSSAUFEOOKHC-QMMMGPOBSA-N 286.162 3.726 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@@H]1CCCCC1(C)C 120844661 PQZFGZIYUOKLCR-XJKSGUPXSA-N 264.413 3.647 30 20 CHED C#CCCCCC(=O)N1CCCc2cccc(Cl)c21 121053083 PCYRHGACNOKMHX-UHFFFAOYSA-N 275.779 3.813 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1ccc(Cl)cc1 123303942 SCCNOLRYFFDCJX-KRWDZBQOSA-N 269.797 3.529 30 20 CHED C[C@H](c1cccs1)[S@](=O)Cc1cccc(C#N)c1 127678513 JMTGTLHVMONFDJ-ZMZPIMSZSA-N 275.398 3.630 30 20 CHED Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 127799448 GCRHDDALJPDNAO-LBPRGKRZSA-N 281.315 3.948 30 20 CHED C=CCSCCNC(=O)CC[C@H](C)c1ccccc1 131032343 KZCULSJKXACXAK-AWEZNQCLSA-N 277.433 3.606 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cc(F)c(F)cc2F)s1 134499580 SDQIXXOAXXCPGJ-HNQUOIGGSA-N 293.269 3.933 30 20 CHED C#CCCCCNCc1ccc2cc(OC)ccc2c1 150738690 FTKZQGPJFOWTSQ-UHFFFAOYSA-N 267.372 3.742 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(CCC(F)(F)F)cc1 152252713 ICNGXVRERAKNMJ-LLVKDONJSA-N 285.309 3.876 30 20 CHED CCN(C(=O)C[C@H]1C=CCC1)c1ccc(C#N)c(Cl)c1 156542436 VKAKADPVCPRURV-LBPRGKRZSA-N 288.778 3.921 30 20 CHED C#CCCCCNC(=O)CCOc1ccc2ccccc2c1 156587058 MOLSZSXSFCYQSZ-UHFFFAOYSA-N 295.382 3.528 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccc(F)cc1F)C(C)C 156789969 FLBJZFFZQJEUFU-CQSZACIVSA-N 282.334 3.537 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1cccc(C)c1 157267980 JVYFUEMJWNSCBI-INIZCTEOSA-N 279.383 3.858 30 20 CHED Cc1ccc(C#N)c(NCCCc2c[nH]c3ccccc23)n1 161342808 FOSDHVXBWJVYGE-UHFFFAOYSA-N 290.370 3.788 30 20 CHED C=CCN(Cc1cccs1)C(=O)N(CC)C(C)C 162536167 FVGNJVBJBVPHSO-UHFFFAOYSA-N 266.410 3.586 30 20 CHED CC(C)c1ccc(C[S@](=O)CCCCC#N)cc1 170982554 LUDFGIMLVXHYHZ-GOSISDBHSA-N 263.406 3.753 30 20 CHED CCc1ccc(C(C)(C)C(=O)[C@@H](C#N)c2ccccn2)cc1 175098400 ZYGAVQCJHINLGX-INIZCTEOSA-N 292.382 3.798 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)c1cc2ccccc2o1 176046908 GFNIBXUQYLAMAX-ZDUSSCGKSA-N 271.360 3.961 30 20 CHED Cc1ccccc1/C=N/OCc1nc(C)c(C)s1 176110734 JRCHYCULEDNEIP-OVCLIPMQSA-N 260.362 3.619 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)s2)cc1 176399393 QWXSRUQARAYEBD-CMDGGOBGSA-N 269.325 3.524 30 20 CHED C=CCC(CC=C)C(=O)NCc1nccc2ccccc12 176919075 OGJCHBHJSUGPPO-UHFFFAOYSA-N 280.371 3.619 30 20 CHED N#Cc1ccc(/C=C2\CCc3cc(F)ccc3C2=O)cc1 176940684 IWBAFWCRLWETBV-OQLLNIDSSA-N 277.298 3.910 30 20 CHED CC(=O)Nc1cccc(NCc2cc(C#N)ccc2F)c1C 178248301 IUMFVINLQSFYIR-UHFFFAOYSA-N 297.333 3.576 30 20 CHED COc1ccc(CCCN[C@@H](C)c2cccc(C#N)c2)cc1 181548914 BWOJTNXPTGOZDQ-HNNXBMFYSA-N 294.398 3.850 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 183097269 QYHCRJSWFGACQO-NSHDSACASA-N 275.327 3.564 30 20 CHED N#Cc1ccc(OCc2ncc(Cl)cc2Cl)cc1 183116602 JRXDIAHFQHKHBF-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CCCC[C@H]1CCC[C@@H]1NCCCSCC#N 184706412 AJPNQZARPZKMOT-KBPBESRZSA-N 254.443 3.582 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](C)c1sc(CC)nc1C 185655071 UDPKXBPHFMSVBF-ZDUSSCGKSA-N 292.448 3.727 30 20 CHED C=CC[C@@H](C(=O)N(C)CCC(C)C)c1ccccc1 186594286 GZHWTDDNMYJJBW-MRXNPFEDSA-N 259.393 3.851 30 20 CHED C[C@@]1(c2ccccc2)CC[C@@H](N2CCC(C#N)CC2)C1 187085829 TVAPLXZAGQWWAP-QZTJIDSGSA-N 268.404 3.732 30 20 CHED C=CCOc1ccc(CN(C(=O)CC)C(C)(C)C)cc1 188080640 KUQIQCMRQJHPLT-UHFFFAOYSA-N 275.392 3.789 30 20 CHED CCCCCCCC[S@@](=O)Cc1nccs1 190834294 BYXMXVNHRYQABJ-MRXNPFEDSA-N 259.440 3.752 30 20 CHED COc1ccc(Cl)cc1CSCCCC#N 190887969 ISMLBLMWIGDHQY-UHFFFAOYSA-N 255.770 3.886 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(C2CC2)cs1 190951450 XEUUNLFSWMVYFR-ZDUSSCGKSA-N 250.367 3.561 30 20 CHED C=CCC[C@H](NCc1cn(C(C)(C)C)nn1)c1ccccc1 191448718 JEXXTQOZPNBJOS-KRWDZBQOSA-N 298.434 3.830 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2sccc2C)SC1=S 192692564 CIKIGMMWZVFUDE-WDZFZDKYSA-N 295.454 3.834 30 20 CHED C=CCSCCNC(=O)c1ccc(Cl)cc1Cl 194502788 RKYCDZOWXISGBW-UHFFFAOYSA-N 290.215 3.642 30 20 CHED CCCCO[C@@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 194554592 XMSVNFCAMZTZQS-ZDUSSCGKSA-N 288.391 3.631 30 20 CHED CCc1ccc(C(=O)/C=C\c2c(Cl)cnn2C)s1 210373230 RUFJODWSXHXAHU-WAYWQWQTSA-N 280.780 3.594 30 20 CHED C=C(CN[C@@H](C)Cc1ccsc1)c1ccccc1 211857173 YFNVBNGTUSNYCJ-AWEZNQCLSA-N 257.402 3.982 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(OC)c(F)c2)c1 213477453 PRLCPQWOFPQKOL-VURMDHGXSA-N 286.302 3.739 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(Br)cs1 226397149 NVZAZFLRHVQOGA-SFYZADRCSA-N 260.200 3.736 30 20 CHED CS[C@H]1CCC[C@@H](Nc2nc3c(cc2C#N)CCC3)C1 227358349 XBJJXIPBUSZKCY-KGLIPLIRSA-N 287.432 3.528 30 20 CHED CC(C)C1CCN(c2c(F)cc(C#N)cc2F)CC1 230914504 WBZGCVZGEVJQFS-UHFFFAOYSA-N 264.319 3.709 30 20 CHED CSC1(CNc2cccc(Br)c2C#N)CC1 235182651 VKQNVLUQCYJXKG-UHFFFAOYSA-N 297.221 3.628 30 20 CHED CCO[C@H](CCN[C@H]1CCC[C@@H](C#N)C1)C1CCCC1 248839635 NNOMOHCHVKPLLL-HYVNUMGLSA-N 278.440 3.644 30 20 CHED N#Cc1ccc(C[S@@](=O)C/C=C\c2ccccc2)cc1 254984354 PFLVRQLQNRVMIU-FDIFFNORSA-N 281.380 3.520 30 20 CHED CCOc1ccc(C=NOCc2csc(CC)n2)cc1 255494025 GIEBXSZDIUWBKP-UHFFFAOYSA-N 290.388 3.655 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1ccc(F)cc1 255683006 CAISUIQCMAHPEJ-YFHOEESVSA-N 251.260 3.593 30 20 CHED O=C(/C=C\c1ccc2ccccc2c1)c1cnccn1 255710308 JZTAAJREBGHMQT-VURMDHGXSA-N 260.296 3.526 30 20 CHED CCc1cccc(N/C(N)=N/[C@@H]2C[C@H]2c2ccccc2F)c1 263209046 YSONFNSLNMAEAN-DOTOQJQBSA-N 297.377 3.671 30 20 CHED C[C@@H](O)c1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 271938454 NVOHSYWFEBAQAV-CHWSQXEVSA-N 298.361 3.601 30 20 CHED CSCCCCCN[C@H](C)c1ccc(C#N)c(F)c1 274816184 WSZVAJIOZCFEQU-GFCCVEGCSA-N 280.412 3.881 30 20 CHED Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)sc1C 277859620 JWGVEBGDPHWKQE-CYBMUJFWSA-N 276.405 3.519 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1nc(C(F)(F)F)cs1 280780292 PHPKVDPRQRDHSZ-WCBMZHEXSA-N 292.326 3.555 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)[C@H](C)C1CCCCC1 283735957 ZZCAMRNIJXELAW-LLVKDONJSA-N 274.364 3.501 30 20 CHED C=CCC[C@H](NC1CCN(CC2CC2)CC1)c1ccco1 286379641 ZZDPLSLYUASRIA-KRWDZBQOSA-N 288.435 3.751 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cnc(C)nc2C)cc1 287369365 HRKDTDOBVGETDS-CYBMUJFWSA-N 297.402 3.509 30 20 CHED C=CC[C@@H]1N(C(=O)c2ocnc2C2CC2)CCCC1(C)C 289392121 KFAWZNSVFXBTCN-ZDUSSCGKSA-N 288.391 3.759 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2ccnc(C#N)c2)n1 293113688 HDHNAMAHQNJJCY-FZMZJTMJSA-N 282.347 3.687 30 20 CHED C[C@@H]1[C@@H](Nc2nc(Cl)c(C#N)s2)CCC[C@H]1C 300120601 CGENHWCUDFXRNM-VGMNWLOBSA-N 269.801 3.905 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCCN(c2ccccc2)C1 301289475 MZYBEQZDXZFDGR-AWEZNQCLSA-N 295.361 3.778 30 20 CHED N#Cc1cccc(NCc2ccccc2OC2CCCC2)n1 301293620 WEGRKSCZVMJWNU-UHFFFAOYSA-N 293.370 3.887 30 20 CHED CCc1ccc([C@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 318064311 QDBAFVWISGOEKW-LJQANCHMSA-N 295.430 3.946 30 20 CHED C[C@](/N=C(/O)C[C@H]1CCCC(O)=N1)(C1CC1)C(F)(F)F 329342066 SLVMJDMKNXHAPW-SKDRFNHKSA-N 292.301 3.573 30 20 CHED CC[C@H]1CC[C@H](C(O)=Nc2cnc3c(c2)CCCC3)O1 329447046 LGKGENYIIDKPPS-DZGCQCFKSA-N 274.364 3.506 30 20 CHED CC(C)(C)c1cc(/C(O)=N/C2CCC3(CC2)CC3)no1 329968892 WHPGNUMAJVILFF-UHFFFAOYSA-N 276.380 4.000 30 20 CHED Cc1coc2ccc(N=C(O)[C@H]3CCO[C@@H]3C)cc12 330059898 LSUZXBLDWCYSMT-PWSUYJOCSA-N 259.305 3.754 30 20 CHED CCc1c(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)[nH]c(C)c1C(C)=O 331071071 INSUPOHXZQPMBI-ZWNOBZJWSA-N 290.407 3.829 30 20 CHED CCCOC1(C/N=C(/O)c2ccc(C)nc2)CCCCC1 331100172 BCLBGJSEZCDBKL-UHFFFAOYSA-N 290.407 3.824 30 20 CHED CC(C)(C)c1nc2ccc(N/C(O)=N/CCF)cc2s1 331225115 MKKGPOUPILLRCU-UHFFFAOYSA-N 295.383 3.889 30 20 CHED Cc1scc(C(=O)Nc2ccccc2CC#N)c1C 336389235 RHZREVBYODOZBM-UHFFFAOYSA-N 270.357 3.683 30 20 CHED N#CC1(c2ccccc2)CCC(N[C@@H]2CC[C@H](F)C2)CC1 336625766 SOOOCQIFIRKJEP-PBHCIXSXSA-N 286.394 3.871 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C1CC1)[C@@H](C)c1ccco1 337869950 NASMFIJWTCWQMN-ZDUSSCGKSA-N 294.354 3.826 30 20 CHED N#Cc1ccc(SCCC2CCOCC2)c(F)c1 338553231 KSIARTAOBGGOFB-UHFFFAOYSA-N 265.353 3.606 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCCC2(CCC2)C1 338833125 YWPKZFPMKVICDW-UHFFFAOYSA-N 286.423 3.502 30 20 CHED N#CCCn1ccc(-c2cc(Cl)ccc2Cl)n1 339302110 MYAAOBPZEWPCJD-UHFFFAOYSA-N 266.131 3.771 30 20 CHED Cc1cncc(CNc2ccc(C#N)cc2C(F)(F)F)c1 340572447 WYLKOGRCANKSBD-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=CCCC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C 344275627 WIHPKGNFTPQZDC-UHFFFAOYSA-N 297.358 3.827 30 20 CHED CC(C)CN(CC[C@@H]1CCCO1)c1ccc(C#N)cc1 346413024 NDUICGQXMGWOTJ-KRWDZBQOSA-N 272.392 3.590 30 20 CHED C=CCC1(c2nc([C@H]3COc4ccccc4O3)no2)CCC1 347090034 GMPMZBRZXYWRRE-CQSZACIVSA-N 298.342 3.580 30 20 CHED Cc1cnc(C(C)(C)NCc2ccc(CC#N)cc2)s1 348093915 CLWDKMAFMNCYGH-UHFFFAOYSA-N 285.416 3.543 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCCC(F)(F)F 348510008 OQYPIZVBRQFNCY-UHFFFAOYSA-N 278.318 3.650 30 20 CHED Cc1oc2ccccc2c1CN1CCC(F)(C#N)CC1 348711596 GQPRWGSTOMJTQH-UHFFFAOYSA-N 272.323 3.569 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccn(C(C)C)c1C 351624995 RINAOUWNXUWAJH-CQSZACIVSA-N 260.381 3.558 30 20 CHED C=CCN(CCc1ccco1)Cc1ccsc1C 352832010 NNIOOLAFUDDOLL-UHFFFAOYSA-N 261.390 3.880 30 20 CHED Cc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 353416550 YKIMLQHXPXHQDX-GOSISDBHSA-N 262.356 3.644 30 20 CHED C=CCC[C@H](NCCc1c[nH]c2ncccc12)c1ccco1 353629479 GABLVFWXMOIWQH-INIZCTEOSA-N 295.386 3.996 30 20 CHED CN(Cc1cc(C#N)cs1)Cc1c(F)cccc1F 354342885 HOVXZOILCKZKBT-UHFFFAOYSA-N 278.327 3.530 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1=CCCCCC1 354818188 ZIGVIPOVIYMOGA-UHFFFAOYSA-N 262.397 3.665 30 20 CHED C=CCC[C@@H](NCc1cnc2[nH]ccnc1-2)c1ccccc1 356109108 QCZAABFQNVPXEE-MRXNPFEDSA-N 292.386 3.707 30 20 CHED C=CCOc1ccc(C(=O)N2[C@@H](C)CC[C@H]2CC)cc1 357757186 HTYQUFLKMQTBJC-DZGCQCFKSA-N 273.376 3.655 30 20 CHED C=C(CC)CNc1cccc(C)c1C(=O)N1CCCC1 358669689 VPSLVQKYBIMDQE-UHFFFAOYSA-N 272.392 3.609 30 20 CHED C=CCCCC(=O)N1CCS[C@H](c2ccccc2)C1 363595324 NOPGJHPKGOGOOP-HNNXBMFYSA-N 275.417 3.659 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 375608440 YEEFAXTZASKDBM-QGZVFWFLSA-N 296.374 3.572 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C 375873763 NXMLGROFVNEWBQ-QILLFSRXSA-N 284.403 3.721 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1Cc2cccc(Cl)c2C1 377143673 VVNJBFMANMSBLA-UHFFFAOYSA-N 299.717 3.640 30 20 CHED C=CCCCCCCN[C@H]1CCO[C@@H](C(C)C)C1 380814065 UTALJHYCZABBPH-JKSUJKDBSA-N 253.430 3.916 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 381790354 AASDXRIMASAPCT-ZDUSSCGKSA-N 262.353 3.910 30 20 CHED C=CCCCCCSc1nc(C(=O)O)cs1 382163466 IULVVSXNNHXMSN-UHFFFAOYSA-N 257.380 3.680 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412191827 BFVVTCGOPMRHDC-APWZRJJASA-N 290.366 3.999 30 20 CHED CC1(C)C[C@H](Nc2ncc(C#N)cc2F)c2ccccc21 413194610 BTCQVCVZOWSMPK-HNNXBMFYSA-N 281.334 3.927 30 20 CHED CC(C)(CC#N)CN[C@@H](c1ccc(F)cc1)c1ccccn1 414162898 HYFBLWIBZAYFPB-KRWDZBQOSA-N 297.377 3.840 30 20 CHED N#CC1(CNCc2ccc(Oc3ccccc3)o2)CCC1 418143441 PLVCRXZUJKFHPH-UHFFFAOYSA-N 282.343 3.855 30 20 CHED N#Cc1cccc(OCCC2(C#N)CCCCC2)c1 418810361 UMDFNYBVENFNOP-UHFFFAOYSA-N 254.333 3.801 30 20 CHED CCC[C@@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424194800 MAPZYCBXUIHFJA-BHYGNILZSA-N 256.393 3.852 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 431700211 ZGXBVBIXBMNBLJ-JYAVWHMHSA-N 285.391 3.813 30 20 CHED C[C@H](CC1CCCC1)C(=O)N1CCCC(C)(C)[C@H]1C#N 434032506 RRJMODICXVJMQD-UKRRQHHQSA-N 276.424 3.744 30 20 CHED Cc1cc(OCc2nc3ccccc3nc2C)ccc1C#N 434650837 RXTCOHAUUSBOIE-UHFFFAOYSA-N 289.338 3.697 30 20 CHED C[C@@]1(c2ccccc2)CCN(c2c(C#N)cccc2C#N)C1 436399865 GSLHDOSSAVQWEC-LJQANCHMSA-N 287.366 3.598 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(CC)cc2O)n1 436562358 FEJNVTVBCLUJDL-UHFFFAOYSA-N 272.348 3.858 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCCSC 438323543 WMXHLAIUNOEWLX-UHFFFAOYSA-N 266.406 3.864 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]([C@@H](C)CC)C(F)(F)F 439404142 AGPHRCJFZDBEBT-GARJFASQSA-N 280.334 3.617 30 20 CHED C=CCOc1cccc(/C=C/c2ccc([N+](=O)[O-])cn2)c1 439511352 NRXCBHVWJFMGBN-VOTSOKGWSA-N 282.299 3.725 30 20 CHED N#Cc1cccc(Cl)c1NCCCC(F)(F)F 439686882 UWIXFJOXCQLZLO-UHFFFAOYSA-N 262.662 3.966 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1-c1cn[nH]c1 439760822 XJLDQDIATVKXSV-UHFFFAOYSA-N 281.359 3.784 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C1 442761284 BWYDQJCWKQRAFC-BXUZGUMPSA-N 287.794 3.646 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@H]2CCCC[C@@H]2C(F)(F)F)C1 442775347 ALSYECDRNZTZNO-NDBYEHHHSA-N 274.330 3.637 30 20 CHED C=C(C)CN(CC)C(=O)CNc1cccc2ccsc12 443468581 PCZDFPBZRYMDSP-UHFFFAOYSA-N 288.416 3.738 30 20 CHED CC(C)(C)[C@@H]1CN(CC2(C#N)CC2)c2ccccc21 444783115 JTVXCUUWEAABQM-CQSZACIVSA-N 254.377 3.940 30 20 CHED CC[C@@H](NCC1(O)CCCCCC1)c1ccc(C#N)cc1 447535748 IANYLKAZAAEBII-QGZVFWFLSA-N 286.419 3.684 30 20 CHED Cc1ccc(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1C 447914835 QARGLXHSKTVKLS-MOPGFXCFSA-N 298.430 3.731 30 20 CHED C=CCCCC[C@@H](C)Nc1cnn(Cc2ccncc2)c1 449225389 OGRSFEYFFVEXCW-OAHLLOKOSA-N 284.407 3.873 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(C)C)c(Cl)c1 451610208 SGYVZRCROXSGFI-CABCVRRESA-N 295.810 3.560 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cc(C)ccc1OC 453329421 ACIDOOGXGZXKQU-ZACQAIPSSA-N 289.419 3.778 30 20 CHED C=CCOc1ccc(CNC[C@@H]2CC[C@@H](C)O2)cc1Cl 453632156 OSSALBXSLPFHEG-OCCSQVGLSA-N 295.810 3.562 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1c(F)cccc1F 454803736 ISXDFFSLSSZLGP-GFCCVEGCSA-N 296.361 3.851 30 20 CHED C=CCC1(NC(=O)[C@H]2CCCSC2)CCCCC1 456373339 VQOIHILNPQZNMN-ZDUSSCGKSA-N 267.438 3.525 30 20 CHED C=CCC1(CNC(=O)c2cc(O)ccc2Cl)CCCC1 456505630 LSUQBYQNQMFLMO-UHFFFAOYSA-N 293.794 3.912 30 20 CHED CC(C)[C@@H]1N(C(=O)Cc2ccc(C#N)cc2)CC12CCCC2 457185290 ZUSHVCVATBOEER-SFHVURJKSA-N 296.414 3.528 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(OCCC)c(OCCC)c1 465100742 CNMJFRWPGLZLEI-CYBMUJFWSA-N 291.391 3.569 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(OC)ccc1OCCCC 465173205 ZCGAWGPZGWDALC-GFCCVEGCSA-N 292.379 3.570 30 20 CHED C[C@H](C#N)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 469556504 NPJKZMSHBWINNH-DOMZBBRYSA-N 290.794 3.943 30 20 CHED Cc1cc2sc(C(=O)N3CC(C)(C#N)C3)c(C)c2cc1C 482589585 TVFVHKNBARGTSF-UHFFFAOYSA-N 298.411 3.812 30 20 CHED C(#Cc1ccccc1)CN[C@H]1CCC[C@H]1c1ccccc1 483975434 GHVRSMQOXOZQNM-PMACEKPBSA-N 275.395 3.964 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(C#N)s1)C2 486624954 BYNBYZJIBXKODC-NKFCBESUSA-N 288.416 3.564 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)Oc1cccc(C)c1 488879107 JKSANNZRJJFYJR-NVXWUHKLSA-N 287.403 3.720 30 20 CHED C=CCC(C)(C)CNC(=O)CCn1ccc2ccccc21 490065513 FSYAETWQTUXXSP-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCCOc1ccccc1C#N 495404323 YJHVJIOLGOJGES-HZPDHXFCSA-N 294.398 3.719 30 20 CHED CCN(Cc1csc(-c2ccccc2)n1)C[C@H](C)C#N 497969902 XVMHGBVUFVPCOT-CYBMUJFWSA-N 285.416 3.792 30 20 CHED C=CCCOCCN[C@@H]1CC=C(c2ccc(F)cc2)CC1 498803235 IULUBHPINFZCCO-GOSISDBHSA-N 289.394 3.944 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCc3ccc(F)cc32)c1 503593518 ZPUIIHQWLMJNMV-GOSISDBHSA-N 280.346 3.517 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)c1cc(C)cc(C)c1 504060345 NVAHZEUEARSCNA-UHFFFAOYSA-N 292.382 3.771 30 20 CHED Cc1nn(Cc2ccc(C3CCCCC3)cc2)c(N)c1C#N 505525588 FYROWFCCJWUMMU-UHFFFAOYSA-N 294.402 3.741 30 20 CHED C=C(C)CCSc1nnc(SCCC(=C)C)n1C 505698723 AWFRAYUIMNIEMG-UHFFFAOYSA-N 283.466 3.932 30 20 CHED CC[C@H](C)CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 510331588 LOFBGQWGCYJSJA-FZMZJTMJSA-N 278.783 3.847 30 20 CHED Cn1cc(CN2CCC(C)(C)c3ccccc32)cc1C#N 515253990 DDUGMIMIQKUUSL-UHFFFAOYSA-N 279.387 3.585 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1c1ccc(C#N)c([N+](=O)[O-])c1 515445663 SAELSWNPTMGYPC-DOMZBBRYSA-N 287.363 3.871 30 20 CHED C=CCC[C@H](C)N[C@H](COC)c1cccc(Cl)c1 515702471 LIMYYCPCRSCZHG-SWLSCSKDSA-N 267.800 3.972 30 20 CHED C=CC1CCN(Cc2cc(-c3ccccc3)no2)CC1 522083119 AJJIUUBCVSFFIQ-UHFFFAOYSA-N 268.360 3.740 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(F)c(C#N)c1 532344032 BMJVJSGJANLOHS-GFCCVEGCSA-N 298.336 3.956 30 20 CHED N#CCc1ccc(C(=O)NCCCC2CCCCC2)cc1 533914337 HRQONZLSTJLEBG-UHFFFAOYSA-N 284.403 3.843 30 20 CHED C=CCC[C@@H](NCCOc1ccc(F)c(F)c1)C1CC1 537967724 XPJIMZHEJAILSZ-MRXNPFEDSA-N 281.346 3.678 30 20 CHED CC(C)(C#N)CCN[C@H](c1ccccc1)C(F)(F)F 538465752 PWUIRYRSSJMCEW-GFCCVEGCSA-N 270.298 3.819 30 20 CHED C=CCN(Cc1cc(F)cc(Br)c1)C1CC1 538956298 SKWCHZIWDCOHDH-UHFFFAOYSA-N 284.172 3.739 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1CCC(F)(F)CC1 540488320 WWDIZPHGCOBBPY-LLVKDONJSA-N 274.355 3.608 30 20 CHED CC#CCCNC(=O)C1(c2ccccc2C)CCCCC1 541748481 NQTJMQQMAFKITE-UHFFFAOYSA-N 283.415 3.727 30 20 CHED C=CCN(CCCc1ccncc1)CCc1ccccc1 544404502 IRMXSAPXVBVRKL-UHFFFAOYSA-N 280.415 3.745 30 20 CHED C=CCC[C@H](C(=O)N1C2CCC1CC2)c1ccccc1 548278886 XXIZWZGLYHQXED-JCYILVPMSA-N 269.388 3.890 30 20 CHED CCN(Cc1ccc(C#N)cc1)c1ccccc1OC 554215674 SURJPXGPRXCZQT-UHFFFAOYSA-N 266.344 3.593 30 20 CHED N#Cc1cc[nH]c(=N[C@@H]2CCCCc3ccccc32)c1Cl 557570595 OYOUDCDDNJENJC-OAHLLOKOSA-N 297.789 3.908 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1Cl 559036951 BASBYYCCLLTKRI-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCC[C@H](F)C1 565002579 FCPHIHUUAHWWJQ-QWHCGFSZSA-N 293.407 3.975 30 20 CHED CC[C@H]1C[C@H](C)CN1C(=O)Nc1scc(C)c1C#N 566420964 SYPSATNIPYVCOP-ONGXEEELSA-N 277.393 3.581 30 20 CHED COc1nc(C)cc(C)c1CSCCC(C)(C)C#N 567078606 HDATXVFSIPJEND-UHFFFAOYSA-N 278.421 3.880 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@H]2CCC[C@@H]2C)cc1 569679198 BKUQTSLBFQYIRJ-GOEBONIOSA-N 287.403 3.694 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CC[C@@H](C#N)C1)CC3 569898962 HOPHZRCKIBFZPV-QLFBSQMISA-N 293.414 3.616 30 20 CHED CC(C)(C)CCCC(=O)Nc1ccccc1CC#N 570414238 NTLAOIIXWWSVGA-UHFFFAOYSA-N 258.365 3.908 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 571168889 CBODWEAZHVHINS-ZDUSSCGKSA-N 273.355 3.628 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 573602857 STLTZOKZEHDRFN-WOSRLPQWSA-N 264.413 3.599 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 573881661 XSALKFWRWGTODA-HDMKZQKVSA-N 295.467 3.888 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@H](F)C1)c1ccccc1 577120057 UUKMTOCIPBFWDD-HOTGVXAUSA-N 275.367 3.697 30 20 CHED C=C(C)COc1cc(CN[C@@H]2CCC2(C)C)ccc1OC 577913411 HZQATIYOJIYJCL-QGZVFWFLSA-N 289.419 3.928 30 20 CHED CC[C@H](Cc1cccs1)NCC(C)(C)CCC#N 588232195 ZTJFNBNVZGUXHG-CYBMUJFWSA-N 264.438 3.989 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1cnn(C(C)C)c1 588394310 CWWMBJWTZMSCKH-ALCCZGGFSA-N 272.323 3.808 30 20 CHED CC[C@H](C)N(C(=O)/C=C\c1ccccc1C#N)[C@@H](C)CC 588477232 ILEZTKIICOPOTL-NKQSMMKRSA-N 284.403 3.997 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NC(=O)CCCCCC#N 588662807 NMQTUGPKXTXEBK-KSSFIOAISA-N 284.403 3.900 30 20 CHED CC[C@@H](C)[C@H](NC(=O)CCCCCC#N)C(F)(F)F 588978648 UEKSFOYKTSSSAF-PWSUYJOCSA-N 278.318 3.554 30 20 CHED CCN(CC(C)(C)C)C(=O)c1cc2ccccc2n1CC#N 589733024 SOMJKNWNDQPJDD-UHFFFAOYSA-N 297.402 3.673 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1C 590754252 HPSMQCRTHFKRJD-ATNYBXOESA-N 288.435 3.649 30 20 CHED Cc1cc(C#N)ccc1CN1CCSC[C@@H]1C1CCC1 591378620 GPSBJDMKGDJKRZ-QGZVFWFLSA-N 286.444 3.584 30 20 CHED N#Cc1cc(F)c(N[C@@H]2CCC[C@@H](F)C2)c(F)c1 591958290 SGUYNFZHUXFDLL-NXEZZACHSA-N 254.255 3.529 30 20 CHED CCN(Cc1csc(C2CCCCC2)n1)[C@@H](C)C#N 595812330 IVDLLMRXUIIWOD-LBPRGKRZSA-N 277.437 3.925 30 20 CHED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)c2[nH]ncc12 596999622 FFGFCCWIBWVPSJ-UHFFFAOYSA-N 296.374 3.674 30 20 CHED CC[C@@H](CC(=O)N(C1CC1)[C@H](C)C#N)c1ccc(C)cc1 598129851 ZRBDYDACWPUJJW-CABCVRRESA-N 284.403 3.782 30 20 CHED CCC[C@@H](C(=O)N(CC#N)C1CC1)c1cccc(Cl)c1 599154838 MJVLMPGKKUDLGV-OAHLLOKOSA-N 290.794 3.738 30 20 CHED CCC(C#N)(CC)C(=O)NCC(C)(C)c1ccc(F)cc1 599321217 ITYQCTHIQYSTKF-UHFFFAOYSA-N 290.382 3.549 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCCOc2ccc(F)cc21 602532058 UZBGKMMKHZQJMK-SWLSCSKDSA-N 276.355 3.569 30 20 CHED CCCc1cc(C(=O)N[C@@H](C#N)CC(C)C)sc1C 608820633 GQLYXQSWEMOXSD-CYBMUJFWSA-N 278.421 3.677 30 20 CHED CCOC(=O)CCCCCSCc1ccccc1C#N 609804233 GBGLYBISTLJTRI-UHFFFAOYSA-N 291.416 3.915 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N 610280321 LEFPKOSJESGXHM-DLBZAZTESA-N 293.326 3.609 30 20 CHED CC(C)(C)OCCCSCc1ccccc1C#N 610703184 SBJLPMMBEQNOIM-UHFFFAOYSA-N 263.406 3.997 30 20 CHED CC(C)(C#N)CNC(=O)c1ccccc1Oc1ccccc1 611692013 IHWGISXYCIZWFA-UHFFFAOYSA-N 294.354 3.758 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2c(Cl)cccc2Cl)C1 612364199 FWGOVBCPWBIPNQ-CQSZACIVSA-N 297.185 3.759 30 20 CHED CC1(C)Cc2cc(CN3CCC[C@@](C)(C#N)C3)ccc2O1 612406422 LWVUUCZRVHWDAA-SFHVURJKSA-N 284.403 3.526 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC[C@H]2CCCCO2)n1 613428961 BBTHOVBGZRRRIE-CQSZACIVSA-N 287.407 3.622 30 20 CHED C=CCN(C(=O)CC[C@H](C)c1ccccc1)[C@H](C)COC 617580766 DXPXRRISNPGRIT-JKSUJKDBSA-N 289.419 3.620 30 20 CHED C=CCCNC(=O)C1(c2c(Cl)cccc2Cl)CC1 617615890 BCPXVXXNKXHIRK-UHFFFAOYSA-N 284.186 3.717 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cnc3ccsc3c2)C1 617783266 WWNCYJUDNFVATF-LBPRGKRZSA-N 286.400 3.725 30 20 CHED C=CCC1(NC(=O)c2cc(C)n([C@H](C)CC)n2)CCCC1 619110419 FKYZTHQNSFKOEA-CYBMUJFWSA-N 289.423 3.781 30 20 CHED C=CCC1(C(=O)N2Cc3ccc(O)cc3C2)CCCCC1 628538303 KALMYDNUWKWAGF-UHFFFAOYSA-N 285.387 3.761 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cscc1Cl 640782512 ASYXHUPHMYEMKN-UHFFFAOYSA-N 258.774 3.831 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc2c(C)cccc2[nH]1 657455539 UWXOACZIFALSEG-KDOFPFPSSA-N 284.403 3.547 30 20 CHED C=CC[C@H]1CCCN(c2nnc([C@H](C)CC)n2CC)C1 669099325 PRNPIVHZGMHXDZ-KGLIPLIRSA-N 276.428 3.604 30 20 CHED C=CCCN(C)Cc1cc(F)ccc1Br 682435483 UWIVWEXFNJVBTF-UHFFFAOYSA-N 272.161 3.596 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2cc(C)ccc2[nH]1 684987881 NZMDDXHKCMLAEJ-ZDUSSCGKSA-N 256.349 3.561 30 20 CHED C=CCCC(C)(C)CNCc1ccsc1C(=O)O 703929015 OQWXDRJAGOUNMX-UHFFFAOYSA-N 267.394 3.528 30 20 CHED C#Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)nc1 728799698 SLWDIZZWJWBLHM-UHFFFAOYSA-N 298.345 3.982 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)c2ccccc2)nc1 728801741 DZCKTHQKOHCYEL-UHFFFAOYSA-N 278.355 3.510 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@@H](C(C)C)C1)C(C)C 729057129 QZSCJLJRYUGTDR-CABCVRRESA-N 266.429 3.807 30 20 CHED C=CCCOC(=O)CCOc1ccc(Cl)cc1Cl 729072458 KJKPQBMLBJQAPU-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C=CCCOC(=O)CCCCOc1cc(C)ccc1C 729074163 FTJQDFTVRROONI-UHFFFAOYSA-N 276.376 3.972 30 20 CHED C=CCOc1ccc(/C=C\C(=O)O[C@H](C)CC)cc1OC 729078111 JVHUTBFLZVNPEJ-CHOZFAJLSA-N 290.359 3.615 30 20 CHED C=CCNC(=S)N[C@H](C)c1csc2ccccc12 729943499 VOTLTMSHNOSAKI-SNVBAGLBSA-N 276.430 3.612 30 20 CHED C#CCOc1ccccc1OCc1ccc(Cl)s1 730566750 DYCAUDVSWPYFTD-UHFFFAOYSA-N 278.760 3.993 30 20 CHED CCC(CC)NN=Cc1cc(Br)ccc1OC 734365013 PHEIJKREQIIBDC-UHFFFAOYSA-N 299.212 3.570 30 20 CHED C=CC[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccncc1 734458461 ZRWGPXGYRGHTDQ-KRWDZBQOSA-N 291.354 3.610 30 20 CHED O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1cnccn1 734751200 JPTDHXLFLSXNCI-FNORWQNLSA-N 294.285 3.772 30 20 CHED C=CC[C@H](C)NC(=S)Nc1ccccc1Cl 734986831 OERKADSPAGMYQN-VIFPVBQESA-N 254.786 3.591 30 20 CHED Cc1cccc(C)c1COC(=O)c1ccccc1OCC#N 738631839 YYYIYNWEGWEWRK-UHFFFAOYSA-N 295.338 3.563 30 20 CHED CCOc1ccc(N(C)Cc2ccccc2C#N)cc1 739922495 LPHFXXPOXGLZBK-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](C)C(=O)OCCCC 741782122 OYJHXFDCQPJVDM-AWEZNQCLSA-N 293.382 3.546 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1ccc2c(c1)COC2 742435958 CIFBBWUYUAYPIE-AATRIKPKSA-N 285.730 3.661 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)NCc1cc(C#N)ccc1F 742733592 FLVZZSMTPYGETO-OCCSQVGLSA-N 288.366 3.530 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cnc(C)nc1C 743445029 AIKOOOYTXJROPW-UHFFFAOYSA-N 282.391 3.855 30 20 CHED O=C(/C=C\c1ccsc1)c1cnn(-c2ccccc2)c1 746346817 IIURBIKXLCAKQF-SREVYHEPSA-N 280.352 3.830 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2Cc3ccccc32)n1 747193669 MCDCWBGRNUEIDG-KBPBESRZSA-N 296.395 3.783 30 20 CHED COCCON=C(C)c1csc(-c2csc(C)n2)c1 748791107 GCJQCRBPEPWJKV-UHFFFAOYSA-N 296.417 3.567 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C#N)s1)CC2 749004276 CTGSPWCKHZLOES-WQLSENKSSA-N 295.363 3.841 30 20 CHED Cc1cc(OC(=O)c2ccc(C#N)s2)ccc1Cl 749308770 MWFRCFMZJJIZRY-UHFFFAOYSA-N 277.732 3.801 30 20 CHED C=CCN(C(=O)CC[C@@H](C)c1ccccc1)C(C)C 749754556 DCRWDVSCXOGKRK-OAHLLOKOSA-N 259.393 3.993 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2cc(C)ccc2C)o1 751513645 RZCWGMRUWYIWHY-VQHVLOKHSA-N 298.338 3.969 30 20 CHED CS/C=C\C(=O)Nc1cccc(C#Cc2ccccc2)c1 751533415 PETXJBMHDVSMOD-SEYXRHQNSA-N 293.391 3.902 30 20 CHED C=CCCOC(=O)C[C@@H](CC)c1ccc(OC)cc1 751809003 TVXWBMCHCBCFMJ-CYBMUJFWSA-N 262.349 3.698 30 20 CHED CC1(C)CC[C@@H](Nc2ccc(F)cc2OCC#N)C1 753965115 SQNPFXMWRZYTCW-GFCCVEGCSA-N 262.328 3.719 30 20 CHED CCCCCCCCNC(=O)CC[C@H]1CC[C@@H](C)O1 754850439 NLAKDJFRFFMRHL-HUUCEWRRSA-N 269.429 3.811 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCCC1CCC1 755266382 CGKWXJSMRIJKRA-UHFFFAOYSA-N 286.419 3.617 30 20 CHED Cc1cccc(NN=Cc2cnc([C@@H]3CCCO3)s2)c1 755465538 KIVLKQGORALHEG-AWEZNQCLSA-N 287.388 3.749 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1csc2ccccc12 756970859 HCIXNUUWRRGCED-QWRGUYRKSA-N 274.389 3.836 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1cc(F)ccc1F 757474982 PGHIIMGJMHWTLV-WEVVVXLNSA-N 290.240 3.763 30 20 CHED CC(CC1CCOCC1)=NNCc1ccccc1Cl 757575765 MZWDOMNTEZERCY-UHFFFAOYSA-N 280.799 3.622 30 20 CHED C#CC[C@@H](NC(=O)c1cccc2cc[nH]c12)c1ccccc1 757621419 GEQOSHLQXHAFBB-QGZVFWFLSA-N 288.350 3.662 30 20 CHED CCc1nnc(S)n1N=C[C@@H](C)CC1CCCCC1 758075284 ZPCGPSNDPULPAS-NSHDSACASA-N 280.441 3.570 30 20 CHED Clc1ccc(CNN=Cc2nc(Cl)cs2)cc1 758116506 GDPIRDTUWCFOGA-UHFFFAOYSA-N 286.187 3.574 30 20 CHED CCC(CSc1ccc(Cl)cc1)=NNC1CC1 758130159 VZVAHCOTWMYXJY-UHFFFAOYSA-N 268.813 3.950 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccnc2cc(Cl)ccc12 758358744 KHQNBQBBYIYDJH-NXEZZACHSA-N 259.740 3.942 30 20 CHED Cc1cc(Br)ccc1NN=C[C@H]1C[C@H]1C 758369764 JTGAULWIAKSFPN-PSASIEDQSA-N 267.170 3.811 30 20 CHED 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CHED C=CCC1(C(=O)OC2C[C@H](C)O[C@@H](C)C2)CCCC1 835302816 SJILUJASQGTEOM-STQMWFEESA-N 266.381 3.622 30 20 CHED CC(C)COc1ccccc1NC(=O)C#CC(C)(C)C 837351112 AGPHZGVBGGWGLM-UHFFFAOYSA-N 273.376 3.709 30 20 CHED C[C@H](c1ccccc1)N(C(=O)C#CC(C)(C)C)C1CC1 837373653 XEGBJFJBUCCESE-CQSZACIVSA-N 269.388 3.788 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](C)Cc1cccc(F)c1 838217938 LBCBKVSJVDMOTG-HNNXBMFYSA-N 289.394 3.799 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3occc3s2)C1 839050869 CMKVKWRNJLPWIW-ZJUUUORDSA-N 275.329 3.733 30 20 CHED C#CCCCCCC(=O)Nc1nc(-c2ccccc2)co1 839754498 QKDLQKZMEXLNPB-UHFFFAOYSA-N 282.343 3.864 30 20 CHED CCCCCCCCNC(=O)Nc1ccc2c(c1)CNC2 841330461 GVSFPWUGQNKJIR-UHFFFAOYSA-N 289.423 3.772 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)nn1C 841619473 OINXAZQQEUWYIR-AWEZNQCLSA-N 284.407 3.537 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 843924742 RGNJWRBZHMPJSI-CVEARBPZSA-N 281.440 3.765 30 20 CHED O=C(/C=C/c1cc2cnccc2o1)C1CCCCC1 844549348 NTSFTRUJFIDYKK-VOTSOKGWSA-N 255.317 3.990 30 20 CHED C#CCCCCC(=O)NCc1cccc2ccsc12 844649415 IEHAIABQQWXYPO-UHFFFAOYSA-N 271.385 3.711 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 845639156 OWFAOKYXKVIRHQ-FZMZJTMJSA-N 294.370 3.718 30 20 CHED C=C[C@](C)(O)CC(=O)N(CC(C)C)c1ccc(C)cc1C 846299009 FNVJTGSDACAAJJ-SFHVURJKSA-N 289.419 3.620 30 20 CHED C=CCC1(NCc2cc(OCC)ccc2O)CCCC1 850389242 UOCOTTPUUPODKX-UHFFFAOYSA-N 275.392 3.769 30 20 CHED CSCC(C)(C)COC(=O)/C=C\c1ccccc1C#N 851173901 UBUOBAOVZXWKGQ-HJWRWDBZSA-N 289.400 3.504 30 20 CHED CCc1ccccc1C(=O)O[C@H](C)CC(C)(C)C#N 851208303 RHZHNEJPVLWMMB-GFCCVEGCSA-N 259.349 3.734 30 20 CHED CCOCCC1(C(=O)O[C@H](C)CC(C)(C)C#N)CCCC1 851208998 HMXJPMHEDLCJKD-CQSZACIVSA-N 295.423 3.845 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc(Cl)ccc1F 851213221 OWFKIIJDAZWLPW-VIFPVBQESA-N 283.730 3.964 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@H]1CCC[C@H](OC)C1 851300132 LDNWXPQZTNCYRU-KBPBESRZSA-N 268.397 3.727 30 20 CHED CO[C@H](C=NNc1cccc(C(F)(F)F)c1)C1CC1 853257943 FOVXKRSXRFGDTI-GFCCVEGCSA-N 272.270 3.528 30 20 CHED Cc1ccccc1OCCSCC1(CC#N)CC1 853762315 ZMEYXXHSLXPEFK-UHFFFAOYSA-N 261.390 3.801 30 20 CHED N#CCc1cccc(NC(=O)CC[C@H]2CC2(Cl)Cl)c1 854883827 LPKMWLWCNAUTFO-NSHDSACASA-N 297.185 3.665 30 20 CHED C=C[C@H](OC(=O)c1cc(C(C)C)on1)c1ccccc1 857658620 KWKMOXDCUIRATI-AWEZNQCLSA-N 271.316 3.882 30 20 CHED CCCOc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1F 858570593 MGQGNPDTLVVFCW-NWDGAFQWSA-N 262.328 3.719 30 20 CHED CSc1ccc(/C=C\C(=O)N[C@H](C#N)CC(C)C)s1 859095168 NDTITQVMYJCHML-QZPNVGJNSA-N 294.445 3.538 30 20 CHED C=CC[C@@H](C(=O)OCc1cnc(C2CC2)o1)c1ccccc1 861376081 VKEIBAAZOBFZKX-MRXNPFEDSA-N 297.354 3.955 30 20 CHED C=CC[C@H](C)NC(=O)CC(C)(C)c1ccc(F)cc1 865926339 VCWRUIUAOZGGQM-LBPRGKRZSA-N 263.356 3.574 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1F 872065796 BWHNNTWYZQFRJD-BZNIZROVSA-N 296.345 3.741 30 20 CHED C=CCN(C(=O)Nc1cccc2oc(C)nc12)C(C)C 879822077 KNDGIWOPMPILEQ-UHFFFAOYSA-N 273.336 3.565 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(CN(C)C)c(C)c1 880276525 HMDFKCCITFHQSH-UHFFFAOYSA-N 274.408 3.597 30 20 CHED C=CCC1(N[C@H]2C[C@H](OC(C)(C)C)C2(C)C)CCOCC1 895365905 HNINMLSXZQAFBL-GJZGRUSLSA-N 295.467 3.684 30 20 CHED C=C1CCC(C(=O)NCc2cc3ccccc3[nH]2)CC1 895978923 QFYPYPAHQGKQCX-UHFFFAOYSA-N 268.360 3.531 30 20 CHED C=C1CC(c2noc([C@H](C)Sc3ccccn3)n2)C1 896883726 TUJDKUGLBRDJJD-JTQLQIEISA-N 273.361 3.752 30 20 CHED C=C1CN(C(=O)c2ccc(C3SCCCS3)cc2)C1 898691296 QACBISFPOVJHAB-UHFFFAOYSA-N 291.441 3.567 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C#N)ccc1NCC 901041504 WHRNPPBEVVLXAK-UHFFFAOYSA-N 271.364 3.531 30 20 CHED CS[C@H]1CCCC(=NNc2cc(Cl)nc(C)n2)C1 901196472 QGMCKNNRKRLEEP-JTQLQIEISA-N 284.816 3.512 30 20 CHED CC[C@H](N[C@@H](C)CC(F)(F)F)c1cccc(C#N)c1 902958200 XVXFJQLTTZQKMZ-GWCFXTLKSA-N 270.298 3.940 30 20 CHED C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1cccc(C#N)c1 903336246 WUMBNGPETZPPDA-FZKQIMNGSA-N 277.371 3.755 30 20 CHED C=C1CC(c2noc(C3(OC)CCCCCC3)n2)C1 904108014 CWAIZPRORDXXOH-UHFFFAOYSA-N 262.353 3.699 30 20 CHED CCc1cccc(C(=O)OCCCCC2(C#N)CCC2)n1 909380381 CUWZMRRYJOGNCZ-UHFFFAOYSA-N 286.375 3.665 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nc(C)cs2)C1(C)C 915100351 WNHQEAVIPFAGEP-UPJWGTAASA-N 288.416 3.866 30 20 CHED Fc1ccc(CNN=C2CCc3ccccc3C2)cc1F 915977313 YWDLLSARFZHOPL-UHFFFAOYSA-N 286.325 3.599 30 20 CHED O=[N+]([O-])c1ccc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 916244961 IPYWMSNDDMMEFF-KAOXEZKKSA-N 285.347 3.819 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc([N+](=O)[O-])cc1 916256362 XFPJOCRRFVASLI-UHFFFAOYSA-N 269.304 3.739 30 20 CHED N#CCCCOC(=O)c1ccc(-c2ccccc2)cc1 916597245 SIGADNCJUOUJNZ-UHFFFAOYSA-N 265.312 3.814 30 20 CHED N#CC1(CSc2nc3ncccc3s2)CCCC1 918475518 YFDFHRQJFHDPDB-UHFFFAOYSA-N 275.402 3.867 30 20 CHED N#CCCCSc1nc2cc(F)ccc2s1 918872236 SHIFTLXUYYVFRV-UHFFFAOYSA-N 252.339 3.831 30 20 CHED C[C@@H](NN=Cc1ccc(F)cc1F)c1ccccc1 920386026 NZAQDNCMQMNCCF-LLVKDONJSA-N 260.287 3.650 30 20 CHED C#CCN(C(=O)C[C@@H](C)c1c[nH]c2ccccc12)C(C)C 928625128 QEAZDZLZDBVRRV-CQSZACIVSA-N 282.387 3.532 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccnc(Cl)c1 1116530119 GCEBACDOWCUZBF-PLNGDYQASA-N 289.766 3.652 30 20 CHED C=CC[C@@H](CC)NC(=O)C(F)(F)c1ccccc1C 1116897733 QIGLSDGANVWIPF-GFCCVEGCSA-N 267.319 3.558 30 20 CHED Cc1ccc(-c2ncco2)cc1N[C@@H]1CC[C@@H](C#N)C1 1116925562 VWIUHAWWJAHYID-TZMCWYRMSA-N 267.332 3.754 30 20 CHED C=C1CCN(C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1 1119702451 RLUGWXBKZGDWTD-UHFFFAOYSA-N 293.798 3.590 30 20 CHED C#Cc1ccc(N2CCC[C@@H]2c2ccc(OC)c(F)c2)nc1 1120862824 UEEIQASKBWHMQZ-MRXNPFEDSA-N 296.345 3.552 30 20 CHED C[C@H](NC(=O)Nc1cc(C#N)ccc1F)C1CCCCC1 1186395192 TTWDPFDCKLRGPV-NSHDSACASA-N 289.354 3.788 30 20 CHED N#Cc1cnc(Oc2cccc(-c3ccccn3)c2)c(F)c1 1187150833 FXMXZVFWMLSHNQ-UHFFFAOYSA-N 291.285 3.947 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@]1(C)CCCC[C@H]1C 1215556506 OOOHCGFVLKPALC-DYVFJYSZSA-N 285.391 3.957 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H]1CCc2c(Cl)cccc21 1262813088 OJZXEMOUSBEKMD-SMDDNHRTSA-N 290.794 3.520 30 20 CHED Cc1ccc(C#N)c(NCC[C@@H]2CCCC[C@@H]2C)n1 1306970047 MOXZMOUIKFYLEX-JSGCOSHPSA-N 257.381 3.890 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCC1CCOCC1 1318820267 VOMOZLBPHZFZIA-CPNJWEJPSA-N 283.371 3.781 30 20 CHED C=CCCc1nnc(-c2cccc(Br)c2)o1 1322950318 RNFFQNCCGMFYME-UHFFFAOYSA-N 279.137 3.618 30 20 CHED C=CCCCCCCNCc1ccc([S@@](C)=O)cc1 1323447645 WQNNBSSGHOOUGJ-LJQANCHMSA-N 279.449 3.650 30 20 CHED N#CCc1cccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 1324085434 PHSHWMHDBXWXDB-IJEWVQPXSA-N 269.392 3.918 30 20 CHED C=CCCCc1nnc(-c2ccc(CN(CC)CC)o2)o1 1327796843 UAYGBNYWDFGULR-UHFFFAOYSA-N 289.379 3.680 30 20 CHED C[C@@H](CC(=O)Nc1ccc(Cl)cc1C#N)C1CC1 1332578456 IBQLJDSQYSZIQV-VIFPVBQESA-N 262.740 3.586 30 20 CHED C#CCC1(OC(=O)c2oc(C3CC3)nc2C(F)F)CCC1 1345901846 ZIGILMKCXPRGGY-UHFFFAOYSA-N 295.285 3.592 30 20 CHED C[C@H](NN=Cc1c(Cl)cccc1N(C)C)C(C)(C)C 1347530193 XLTZEZGPJWXYPK-NSHDSACASA-N 281.831 3.764 30 20 CHED Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cc(C)n1 1347944375 GGELBRPHVYUQGA-UHFFFAOYSA-N 285.372 3.501 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cnc(Cl)cc1C#N 1349668443 VPJUEMWXUHJWRJ-JQWIXIFHSA-N 291.782 3.762 30 20 CHED N#Cc1ccc(F)c(C(=O)O[C@@H]2CCc3ccc(F)cc32)c1 1435360120 FHJOFAIRHQOYTK-MRXNPFEDSA-N 299.276 3.681 30 20 CHED N#Cc1cc(=N[C@@H]2CCCc3ccc(Cl)cc32)cc[nH]1 1458508538 FYOFZEQJXWCFFL-MRXNPFEDSA-N 283.762 3.518 30 20 CHED N#Cc1c(F)cccc1CNC[C@H]1CCC[C@@H]1C1CC1 1462340856 JDLBIIQCGJEOQQ-UKRRQHHQSA-N 272.367 3.613 30 20 CHED CCC1(CC)[C@H](OC)C[C@H]1N(C)c1cccc(F)c1C#N 1472735638 HHKBUGUTZLAZSS-HZPDHXFCSA-N 290.382 3.727 30 20 CHED N#Cc1cnc(N(CCc2ccccc2)C2CC2)c(Cl)c1 1472885090 YFWOYLZNPLKPJV-UHFFFAOYSA-N 297.789 3.818 30 20 CHED C[C@@H]1OCC[C@H]1CSc1ccc(C#N)cc1Cl 1473005366 LPCSXCBKMBJQBD-ONGXEEELSA-N 267.781 3.729 30 20 CHED Cc1ccc(C(=O)N2CCc3c(C#N)cccc32)cc1Cl 1526024051 YXPKTZCWPXHPAX-UHFFFAOYSA-N 296.757 3.723 30 20 CHED N#Cc1ccccc1N(C(=O)C1=CCCC1)C1CCC1 1528687334 YKZBFVUKYSTZJH-UHFFFAOYSA-N 266.344 3.554 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2csc(C#N)c2)cc1 1535525846 UNFKJTRLJSBFCN-NSHDSACASA-N 284.384 3.673 30 20 CHED C[C@@H](NC(=O)Cc1cccc(C#N)c1)C1CCCCCC1 1538151377 YVWLOFNQNRCJPL-CQSZACIVSA-N 284.403 3.576 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F 1542583542 TXWFCDFDWOSESV-RISCZKNCSA-N 275.323 3.567 30 20 CHED CC(C)C[C@@]1(C)CCCN1CCOc1cccc(C#N)c1 1559854890 MGWJOMWFEUBBFQ-GOSISDBHSA-N 286.419 3.838 30 20 CHED Cc1cc(F)c(C#N)c(Nc2cccc([C@@H](C)C(=O)O)c2)c1 1600223477 FWDUNMYWYUFGDY-LLVKDONJSA-N 298.317 3.938 30 20 CHED C[C@@H](CCNC(=O)c1ccccc1CC#N)CC(C)(C)C 1625261430 NVQYUMVQJKXECW-AWEZNQCLSA-N 286.419 3.945 30 20 CHED CN(CC(C)(C)C)C(=O)c1c(Cl)cc(C#N)cc1Cl 1626554126 PXTSPCOSZMWQTK-UHFFFAOYSA-N 299.201 3.983 30 20 CHED Cc1ccc(C(C)(C)CNc2cc(C)c(C#N)cn2)cc1 1639434160 WRYUGFCHSLASTI-UHFFFAOYSA-N 279.387 3.960 30 20 CHED Cc1cc(N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ncc1C#N 1642224110 XYIQXJCFDYEGDF-CKEIUWERSA-N 269.392 3.888 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)c1cc(C)c(C#N)cn1 1655452748 TUNPWHMCYYLQRI-KRWDZBQOSA-N 295.386 3.858 30 20 CHED C=C(Cl)CNCc1csc(-c2ccc(OC)cc2)n1 1655687751 JYEQWHSZOMRCTJ-UHFFFAOYSA-N 294.807 3.661 30 20 CHED CC[C@@H]1CCC[C@H](NCc2ccc(C#N)c(C)c2)C1 1657254189 OHVQSFGDVNKHMU-PBHICJAKSA-N 256.393 3.925 30 20 CHED C[C@@H](c1nccc2ccccc12)N(C)[C@H](C)CC#N 1658955928 ODPRKFPRRNMBDG-OLZOCXBDSA-N 253.349 3.530 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)c1 1678407810 BJZMUUXYLHGQGM-BXUZGUMPSA-N 271.364 3.567 30 20 CHED CCC[C@@H]1CCCC1=NNc1ccc(F)c(C(=O)O)c1 1776062887 PJMUPVIMSNHFFV-SNVBAGLBSA-N 278.327 3.892 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1ccc(C(=O)O)cc1)C2 1777455645 IFSAFHHYWRVYLV-OQLLNIDSSA-N 278.307 3.516 30 20 CHED O=C(/C=C/c1ccccc1Cl)c1cc(O)ccc1O 3915814 ZRJCUTVXCOCBJS-FNORWQNLSA-N 274.703 3.647 30 20 CHED C=CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 102225191 XZXJDFYJPNRRPZ-AWEZNQCLSA-N 287.403 3.789 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(F)cc2)s1 176399305 INNXAVBIEQVUOS-BQYQJAHWSA-N 257.289 3.655 30 20 CHED O=C(Nc1cccc(C#Cc2ccccn2)c1)C1=CCCC1 119635178 OQNKGQFCLQFHLB-UHFFFAOYSA-N 288.350 3.530 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(O)c(Cl)c2)cc1 119265138 WEGAMYQVANLWSG-FNORWQNLSA-N 283.714 3.813 30 20 CHED Cc1ccc([C@@H](C)Nc2nccc(C)c2C#N)s1 135068190 BAJDKBPYTHJVSP-LLVKDONJSA-N 257.362 3.805 30 20 CHED C[C@@H]1CN(C(=O)NCCCCC#N)CC[C@@H]1c1ccccc1 176390502 BGKDRUBHPXUBOL-WBVHZDCISA-N 299.418 3.515 30 20 CHED Cc1cc(C(=O)N(CCC#N)Cc2ccco2)c(C)s1 61110439 XQYVQCIWKOKUPV-UHFFFAOYSA-N 288.372 3.514 30 20 CHED C=C(C)CN1CCC(N[C@H](C)CCc2ccccc2)CC1 177313784 SXWCEPRBBTVRTE-QGZVFWFLSA-N 286.463 3.638 30 20 CHED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)C#N 467289956 VUHBYMWCGNNVRR-SNVBAGLBSA-N 299.201 3.890 30 20 CHED COc1ccc(C(=O)N(CCC#N)c2ccc(C)cc2)cc1 60851791 XMCXNJUAOVHEDQ-UHFFFAOYSA-N 294.354 3.564 30 20 CHED CC(C)(C#N)CCCN1CCC(OCC2CCCC2)CC1 177492623 WYKQJFXMBWMJRN-UHFFFAOYSA-N 292.467 3.988 30 20 CHED C=C(Br)CN1C[C@H](C)c2ccccc21 62640485 OYLSTYVJRKRWDG-VIFPVBQESA-N 252.155 3.519 30 20 CHED N#Cc1ccc(N[C@H]2CCCN(c3cccc(F)c3)C2)cc1 301318991 QIYJAGLRCRBWEU-KRWDZBQOSA-N 295.361 3.778 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)c1snc(Cl)c1C#N 301920429 DYBZYEZGNJJEMH-SCZZXKLOSA-N 269.801 3.683 30 20 CHED Cc1cccc([C@H](C)S(=O)(=O)Cc2ccc(C#N)cc2)c1 173972471 ROAJPHWBXXHTDY-AWEZNQCLSA-N 299.395 3.543 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 300423803 VQEUMOSZPZKGNB-KLHDSHLOSA-N 261.409 3.511 30 20 CHED CN(CCCNCC(C)(C)CCC#N)c1ccccc1F 174295478 KOASANABBFXSFR-UHFFFAOYSA-N 291.414 3.572 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1ccc2ccccc2c1 176539266 XFJNOCUJOLIHNI-CYBMUJFWSA-N 285.412 3.764 30 20 CHED CCOC(=O)[C@@H](CC)S[C@@H](C#N)C1CCCCC1 177348497 KZZRKALKDYRTRZ-OLZOCXBDSA-N 269.410 3.534 30 20 CHED C[C@H](C#N)Oc1ccc(CNCC2(C3CC3)CCC2)cc1 127520721 FNUDQWVGWKULPO-CQSZACIVSA-N 284.403 3.647 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 177632094 ISCDONOIZCPVBG-IFXJQAMLSA-N 294.398 3.998 30 20 CHED C=CCCCOC(=O)C(C)(C)c1ccc(F)cc1 303688962 LKIGULOPULWUMB-UHFFFAOYSA-N 250.313 3.613 30 20 CHED CCCC(CCC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 120884304 QJMKCTMTQIKUFT-ZDUSSCGKSA-N 272.392 3.952 30 20 CHED CCC(=CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)CC 128979325 KEEOZPLBRHCLNV-CQSZACIVSA-N 276.767 3.767 30 20 CHED N#Cc1ccc(N2CCC[C@H]2CCc2ccccc2)cn1 301536565 UFCCFFYBMYKIAA-KRWDZBQOSA-N 277.371 3.555 30 20 CHED C#CCCCCC(=O)N[C@@H](CC)CSc1ccccc1 120047409 QWYAUXCEQMLOHW-HNNXBMFYSA-N 289.444 3.867 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](C)CC1CCCCC1 72565006 PEYJEWVRDXKRCJ-UONOGXRCSA-N 264.413 3.601 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 214479514 KYEFWIWFMHSNFV-UITAMQMPSA-N 283.283 3.505 30 20 CHED C=C[C@@H](CC(=O)OCc1ncccc1C)c1ccccc1 180371799 CLZBGHVSZZFZOW-HNNXBMFYSA-N 281.355 3.793 30 20 CHED C=CCOc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 78559384 SDJPFRNSNRYUJO-UHFFFAOYSA-N 296.282 3.824 30 20 CHED N#CCSCCCNC1(Cc2ccccc2)CCCC1 185828495 MGMZTBJKVKYQSM-UHFFFAOYSA-N 288.460 3.778 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC=CCC1 412837305 HNOUEUMGOHXCIV-IRXDYDNUSA-N 269.388 3.646 30 20 CHED C=CCN(C(=O)c1cc(C(C)(C)C)nn1C)c1ccccc1 77588688 BZVZYHOVMMNXEY-UHFFFAOYSA-N 297.402 3.550 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@H]1C 185919088 SGMMQODHSGLRPU-OCCSQVGLSA-N 286.375 3.722 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCCc2cc(N)ccc21 186583673 UTNOFWDIRSJTMO-KRWDZBQOSA-N 284.403 3.531 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)CC=C 413993244 ZECCRRVAIRGSEU-MRXNPFEDSA-N 271.404 3.892 30 20 CHED CC(C)N(CCC#N)Cc1cc(Cl)ccc1F 218995454 QKNQHJRNXSHVMF-UHFFFAOYSA-N 254.736 3.603 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 124573907 UBRZDHDXJFXYMF-WDEREUQCSA-N 299.773 3.638 30 20 CHED CCSCc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 125468142 BOLOCLOXFZBUQH-OAHLLOKOSA-N 296.395 3.825 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccnc1C)CC2 125425110 JUBDKABELRVXOH-WJDWOHSUSA-N 263.340 3.911 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)cc(F)c1OC 410577326 XBBNFYYGHUZDJN-UHFFFAOYSA-N 269.291 3.514 30 20 CHED C=CCC(CC=C)C(=O)NCC(C)(C)c1ccccc1 123009062 BCPCVMCRKKBXMF-UHFFFAOYSA-N 271.404 3.849 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)cc1C 33472200 YUHRXNBMMSELHZ-DAXSKMNVSA-N 294.350 3.971 30 20 CHED CC#CCCCC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 186122591 YYOGLRXMWVMMOF-UHFFFAOYSA-N 295.386 3.621 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 78878093 PINZQTLYQRTBPF-OAHLLOKOSA-N 292.382 3.974 30 20 CHED C=CCCC1(C(=O)N(CC)Cc2occc2C)CC1 412804355 PCVZFTSXTDHKCR-UHFFFAOYSA-N 261.365 3.683 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1(SC)CCC1 413989157 QIDWIRWHMVYCCN-HNNXBMFYSA-N 289.444 3.576 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1 34953956 BDZFTVOWGRMIDN-XGICHPGQSA-N 268.312 3.687 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccccc1Cl 187743887 YYFWEYXBZCFKOZ-AWEZNQCLSA-N 267.756 3.507 30 20 CHED C=C(Cl)CN[C@@H](C)c1sc(C(C)C)nc1C 129782423 KGMRLDPBPFMVAZ-VIFPVBQESA-N 258.818 3.978 30 20 CHED N#CC1(CCCSCC2(C#N)CCC2)CCOCC1 419575370 DJVZMKRZLALCAR-UHFFFAOYSA-N 278.421 3.514 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1[N+](=O)[O-] 33776002 GLJPRTPENOGSSC-CLFYSBASSA-N 292.294 3.671 30 20 CHED CC[C@H](C#N)Sc1nc(Cc2ccccc2)c(C)[nH]1 127019703 WDRFQLNKZSKMTA-CYBMUJFWSA-N 271.389 3.703 30 20 CHED C=C(C)CCc1noc(C(C)(C)c2ccccc2)n1 508680637 QLNUMNNOLXIAGA-UHFFFAOYSA-N 256.349 3.904 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc2scnc2c1 187299866 NHFIFFAMHBJEJC-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C=CCN(CC=C)C(=O)CSc1cc(Cl)ccc1F 506382131 OXHMRABLACYADW-UHFFFAOYSA-N 299.798 3.772 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ncccc1C(F)(F)F 182600026 HGJUAAVVEUJFMM-JTQLQIEISA-N 286.297 3.575 30 20 CHED N#CC1(CCN2CC[C@@H](C3CCOCC3)C2)CCCCC1 411406621 JSHKBQRAMHTQMQ-QGZVFWFLSA-N 290.451 3.599 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccc(C2CCCCC2)cc1 77179765 HGFKOYHMYGOVBC-CQSZACIVSA-N 284.403 3.966 30 20 CHED C=CCCC(=O)COc1ccc(Cl)cc1Cl 134644139 WEKJQKGYHHIANE-UHFFFAOYSA-N 259.132 3.908 30 20 CHED C=CC[C@@H](C(=O)NCCc1ccccc1F)c1ccccc1 186210803 XPILYNKPZSPEKU-QGZVFWFLSA-N 297.373 3.844 30 20 CHED C[C@H](c1cccc(C(F)(F)F)c1)N(CC#N)C1CC1 71966343 BENFUZOLSJUTHL-SNVBAGLBSA-N 268.282 3.754 30 20 CHED CC1(C)[C@H](NCCCCC#N)C[C@H]1OCc1ccccc1 182324906 QBTNUSHLCHKLPI-IAGOWNOFSA-N 286.419 3.654 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(C#N)cc1 341243652 RFJYYFHDCWPFFB-RYUDHWBXSA-N 259.353 3.504 30 20 CHED CSc1ccccc1[C@@H](C)NCC(C)(C)CC#N 414166342 NJUDNBHIPVCZBO-GFCCVEGCSA-N 262.422 3.999 30 20 CHED C#CCN(CC)C(=S)Nc1ccc(Cl)c(Cl)c1 138925089 DNVCDDDPDROFOA-UHFFFAOYSA-N 287.215 3.645 30 20 CHED N#Cc1cccnc1NCCc1cccc(Cl)c1Cl 49321202 MKYWZWJHBFWUKW-UHFFFAOYSA-N 292.169 3.915 30 20 CHED Cc1ccc(-c2nc(C)c([C@@H](C)N(C)CC#N)s2)cc1 134201098 VSMGKYOTEFFAFJ-CYBMUJFWSA-N 285.416 3.943 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@H](C(O)=Nc3ccccc3)C2)C1 328708132 AYWDGAILDWRLQY-VYDXJSESSA-N 297.402 3.679 30 20 CHED C=C(C)CCc1noc(CSc2ccccc2OC)n1 508671300 LGMOQPBOSNCECU-UHFFFAOYSA-N 290.388 3.879 30 20 CHED C[C@@H]1CCC[C@H](C/N=C(/O)[C@@H]2CCC(=O)c3cccn32)C1 329820288 ABZVSMZYKCKALQ-IPYPFGDCSA-N 288.391 3.789 30 20 CHED Cc1ccc(COC(=O)C2(C#N)CCCCC2)cc1 193631822 MOAXBIJRWFLCBV-UHFFFAOYSA-N 257.333 3.512 30 20 CHED N#CCCCOc1cccc(CN2CC[C@H]3CCC[C@@H]32)c1 428452763 NAIUWPXWVDINCC-AEFFLSMTSA-N 284.403 3.744 30 20 CHED CCCC[C@H](CCC)NC(=O)c1cc(C#N)cs1 84181633 PTKSARXSHFVGHQ-LBPRGKRZSA-N 264.394 3.708 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CC(F)(F)F)C1 421954338 GLYJCILHSYQFKC-AAEUAGOBSA-N 277.330 3.780 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@H]2c2ccccc2)c1 84179696 BUCCOSFOVBNUBZ-AWEZNQCLSA-N 282.368 3.597 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(C)Cc2cccc(C#N)c2)C1 131292863 KCWKAWONWNOWLF-GJZGRUSLSA-N 284.403 3.733 30 20 CHED COc1ccc(F)cc1[C@@H](C)/N=C/c1ccccc1O 48501917 NVQJCXIEMPPZQU-VDCVXVNISA-N 273.307 3.720 30 20 CHED C=CC[C@H](C(=O)N1CCC(CC)CC1)c1ccccc1 426645217 CBFFRXKHTXEGMP-KRWDZBQOSA-N 271.404 3.995 30 20 CHED N#Cc1cccc(OCCCSCCOC2CCC2)c1 289405643 NYISEWAOFNRADX-UHFFFAOYSA-N 291.416 3.629 30 20 CHED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(Br)c1 381538886 GVSQGONGUNSFQX-WDEREUQCSA-N 279.181 3.862 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccccc1-c1ccccc1 84907608 WNLZJNFQHSYNAH-CYBMUJFWSA-N 279.343 3.635 30 20 CHED C[C@H]1C[C@H](C)N(c2ccc(C#N)cc2Br)C1 135516733 GUZWUDPSIFUYJV-UWVGGRQHSA-N 279.181 3.555 30 20 CHED Cc1oc(C(C)C)nc1/C(O)=N/C[C@H]1CCCCS1 329091997 JUKHXFIHLJWDOM-LLVKDONJSA-N 282.409 3.697 30 20 CHED C[C@H](Cc1cccs1)NCC(C)(C)CCC#N 229679427 NWXDAFRGBWTVFH-GFCCVEGCSA-N 250.411 3.599 30 20 CHED N#Cc1c(F)cccc1COc1cnc2ccccc2c1 427539028 ZNWSXGUSHQRWCC-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 424874106 BKTKTIVMVIIPAG-MRXNPFEDSA-N 282.387 3.654 30 20 CHED C=C(CNC(=O)N(CC(C)C)C1CC1)c1ccccc1 512679124 WIENRDIIMWUZAO-UHFFFAOYSA-N 272.392 3.530 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(-c2cccs2)n1 161925019 OOWDVEXJQBGWQX-JTQLQIEISA-N 277.418 3.606 30 20 CHED CC1=C[C@@H](C)C[C@@H](CNCc2ccc(C#N)s2)C1 421350419 LMDRDOPHQINZHO-DGCLKSJQSA-N 260.406 3.702 30 20 CHED Cc1cccc(O)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 334767226 VUWZBNMNARMOKY-UHFFFAOYSA-N 294.354 3.754 30 20 CHED C[C@H](NCC1(C#N)CC1)C1CCC(C(F)(F)F)CC1 517272734 YJKCRBCFXXTETB-UNXYVOJBSA-N 274.330 3.637 30 20 CHED C#CCCCC(=O)Nc1ccc2c(ccn2CCC)c1 192108810 LCTXDEJUZXQDAH-UHFFFAOYSA-N 268.360 3.793 30 20 CHED C=CCCCCCn1cc(C#N)c(=O)c2ccccc21 195440146 CROXYRAXDGYCEJ-UHFFFAOYSA-N 266.344 3.620 30 20 CHED N#Cc1ccc(CN(Cc2cccc(C#N)c2)C2CC2)cc1 193613790 IFSVKTWFCCLRJC-UHFFFAOYSA-N 287.366 3.595 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2cccc(C(C)(F)F)c2)no1 335156608 OXNKELJVGJCMPX-BJOHPYRUSA-N 289.285 3.649 30 20 CHED CC[C@](C)(/N=C(/O)[C@H]1CCCOCC1)c1nc(C)cs1 330149384 VCMGGYKAPQKFHD-WFASDCNBSA-N 296.436 3.850 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@]12CCC[C@@H]1C2 421549446 ZJSIHZXGPWFBEX-RHSMWYFYSA-N 255.361 3.934 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CC[C@H](C)c2ccccc21 331970355 QXXZSEDDPJLBRE-GTNSWQLSSA-N 294.354 3.828 30 20 CHED Cc1cccc([C@H]2CCN(C(=O)c3ccc(C#N)s3)C2)c1 334433569 XQYIXWYYNDFSPN-AWEZNQCLSA-N 296.395 3.558 30 20 CHED CN(C(=O)c1cc(C#N)cs1)c1ccc(Cl)cc1F 335773982 XZPCIEPCKCMFQJ-UHFFFAOYSA-N 294.738 3.689 30 20 CHED Cc1cc(CN(C)[C@H](C)CC#N)sc1Br 93090757 IILQZXJFBXZITK-SECBINFHSA-N 287.226 3.553 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1cc(C#N)oc1C)C(C)C 435465878 YKPRHPQPMSPSFU-QGZVFWFLSA-N 296.370 3.895 30 20 CHED CC(C)c1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1 334028810 KUPQUVSLNUBXAF-ZFWWWQNUSA-N 271.364 3.624 30 20 CHED Cc1noc(C)c1CCSc1ccc(C#N)cc1F 339301570 BEPNGPIMAKSQGQ-UHFFFAOYSA-N 276.336 3.637 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)c1cccc(O)c1 336208538 RGOFHGOYXILORC-XEBKBJJBSA-N 258.365 3.515 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2CC#N)c(C)c1 336326021 NYURZUKFWGRLBW-UHFFFAOYSA-N 264.328 3.622 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCc2ccccc2C1 335125939 OYZPAWZYDIAPAX-UHFFFAOYSA-N 257.377 3.564 30 20 CHED CN(CC(C)(C)C#N)c1nc(C(F)F)nc2ccccc12 432146233 AUXWQQFEUBNAIZ-UHFFFAOYSA-N 290.317 3.553 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)C1 245709096 NAEGBTVIGGGABF-HALDLXJZSA-N 284.403 3.589 30 20 CHED C=CCC(CC=C)C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 246059824 APUPXKOOUAWCKY-FVQBIDKESA-N 261.409 3.934 30 20 CHED O=C(CCCC1CCCCC1)NCC#Cc1ccccc1 247768560 MLSRYLYXZYGCSH-UHFFFAOYSA-N 283.415 3.905 30 20 CHED C=CCOc1cccc(CN2CCC[C@H]2c2cccnc2)c1 348906630 UQBPPWQMBKQISU-IBGZPJMESA-N 294.398 3.984 30 20 CHED N#CCCCCNC(=O)Nc1ccnc(-c2ccccc2)c1 348860571 ORTTUAHEFZTKGX-UHFFFAOYSA-N 294.358 3.564 30 20 CHED COc1ccccc1[C@@H]1CCCCN1CCCC#N 609280921 WRPCHBGTDFSVHK-HNNXBMFYSA-N 258.365 3.526 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCC1(CC#N)CC1 430577927 YFNZSTXGFWLQML-CABCVRRESA-N 291.439 3.584 30 20 CHED C[C@H](C#N)CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 526986003 RSFHGYIUYYMZDE-VPOLOUISSA-N 268.813 3.643 30 20 CHED C=CCC[C@H](NCc1cc(OC)ccc1OC)C1CC1 439081304 YCBLLMIQFSWGML-INIZCTEOSA-N 275.392 3.538 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1 255771221 LZILAXBKLXDXJS-YVMONPNESA-N 285.318 3.904 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCCOc2ccc(F)cc21 602532056 UZBGKMMKHZQJMK-DOMZBBRYSA-N 276.355 3.569 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(F)cc1C(F)(F)F 602514808 MFAYXCZGGWGLLA-JTQLQIEISA-N 288.288 3.874 30 20 CHED CCOc1cc2c(cc1NC[C@@H](C)CCC#N)O[C@H](C)C2 602588513 NFYQFNLKBLVYAW-QWHCGFSZSA-N 288.391 3.760 30 20 CHED C=CCCC1(C(=O)N[C@H]2COc3cccc(Cl)c32)CC1 346256758 YVLSOGFXQLIVFG-LBPRGKRZSA-N 291.778 3.636 30 20 CHED C=CCOc1ccc(C(=O)NCc2ccccc2CC)cc1 607068653 CJYJZZMLFKLVIV-UHFFFAOYSA-N 295.382 3.744 30 20 CHED C=CCN(C)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 444028631 WTLMSQUUJVPVOE-KBPBESRZSA-N 266.429 3.809 30 20 CHED C[C@@H](CCC#N)CN(C)C1CCN(Cc2ccccc2)CC1 602463571 HRHUMQWKUAOEEE-KRWDZBQOSA-N 299.462 3.523 30 20 CHED Cc1csc2ncnc(NCC(C)(C)CCC#N)c12 352205748 HZIPBSWULQULGE-UHFFFAOYSA-N 274.393 3.742 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(C)c(C)c1 500996147 JDATVXFXDAQKEE-UHFFFAOYSA-N 266.344 3.796 30 20 CHED COC1CCC(C)(CNCc2ccc(C#N)c(C)c2)CC1 355148410 FEXJKIBACSSXMD-UHFFFAOYSA-N 286.419 3.552 30 20 CHED C=CCNC(=O)Nc1cccnc1-c1ccc(Cl)s1 446569468 OJAYPFPIWLRKCS-UHFFFAOYSA-N 293.779 3.771 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)C1CCC(C)CC1 351077904 XMDSEXTWAKGHEM-UHFFFAOYSA-N 276.428 3.602 30 20 CHED CC[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1 352982974 HOGQPFJKPQVABC-GFCCVEGCSA-N 290.794 3.864 30 20 CHED C[C@@H](Sc1cccc(C(N)=O)c1)c1cccc(C#N)c1 351734842 HZSXRNQEXBJYPW-LLVKDONJSA-N 282.368 3.510 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 530597293 RNTSLUJFVHASGB-XPTSAGLGSA-N 299.201 3.905 30 20 CHED C=C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 264485234 MSXSJKTWJAAJFG-UHFFFAOYSA-N 274.751 3.614 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(C)Cc1ccc(C#N)cc1 449438751 DKUTXYJKCAFTIJ-QGZVFWFLSA-N 286.419 3.979 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCC1CC1 359420239 ZYSINAZMXPZEMO-UHFFFAOYSA-N 284.403 3.733 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cnc(-c3ccccc3)s2)C1 612164545 CESMBWGQVIHCEO-KRWDZBQOSA-N 297.427 3.936 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cnc(CC)s1 351609923 VZMNMUUMYPJPBM-UHFFFAOYSA-N 299.443 3.989 30 20 CHED CCN(Cc1cccc(F)c1)Cc1ccc(C#N)c(OC)c1 442814007 UQXUPHDXLAGIOD-UHFFFAOYSA-N 298.361 3.728 30 20 CHED C=C(C)CN(C)[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 351061627 HCYRUUYEKBGSMI-RDJZCZTQSA-N 288.435 3.540 30 20 CHED CC(C)(C#N)CCCCN1CCOc2cc(F)ccc21 444651469 GQIMIEJSQCVIKC-UHFFFAOYSA-N 276.355 3.745 30 20 CHED CCCc1csc(CNc2cc(C)cc(C#N)c2)n1 449761418 XHOPBYMTIVSNGX-UHFFFAOYSA-N 271.389 3.888 30 20 CHED CC(C)[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 444758584 YSUOSOSCEPCWLC-YOEHRIQHSA-N 256.393 3.987 30 20 CHED C=CCC[C@H](NCc1cc(C)no1)c1ccccc1 269453405 WGHMLNKLPLYDAH-INIZCTEOSA-N 256.349 3.780 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCC[C@H]1CC(C)C)OCC 535148638 YJGSGSLUGUQHBT-JKSUJKDBSA-N 281.440 3.785 30 20 CHED C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)c1nccs1 612574891 RIXKNFJORNAGSC-WBMJQRKESA-N 297.427 3.785 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(O)c(C)c1 354349368 UVEUYVVPVNXQDM-UHFFFAOYSA-N 287.384 3.591 30 20 CHED CC#CCCCC(=O)NCc1ccc(Cl)c(Cl)c1 618538644 PERSDBYYTFRRMO-UHFFFAOYSA-N 284.186 3.803 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccsc1 359107651 PDRVRHDKCWGCKZ-LBPRGKRZSA-N 256.374 3.813 30 20 CHED CCc1ccccc1CC(=O)N[C@](C)(C#N)C1CCCCC1 615478455 IASYWGZSELVYTR-LJQANCHMSA-N 298.430 3.770 30 20 CHED C=C(CC)CNCc1csc(COc2ccccc2)n1 449731874 JXUJEVLGVXFOEP-UHFFFAOYSA-N 288.416 3.778 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(C)cc1 539715713 PDTWNNFJZSLNPA-DZGCQCFKSA-N 260.381 3.710 30 20 CHED CCC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 612636107 NASXIDSVBLMYTJ-WMLDXEAASA-N 299.418 3.983 30 20 CHED Cc1ccc(OCCCN(CC#N)C2CCCC2)cc1C 610003238 DEPPWSLGUUTYSN-UHFFFAOYSA-N 286.419 3.841 30 20 CHED C=CCCCC(=O)Nc1ccc(NC(C)=O)cc1Cl 360138815 HZGBZZXGVHSGFF-UHFFFAOYSA-N 280.755 3.593 30 20 CHED CC(C)CCc1ccc(NC(=O)NCC(C)(C)C#N)cc1 611621056 MRRAAOMFXRUCHH-UHFFFAOYSA-N 287.407 3.946 30 20 CHED C=C(C)CCNC(=O)c1cc(C2CC2)nc2ccccc12 452722201 JLTIGVNUUBOPOM-UHFFFAOYSA-N 280.371 3.808 30 20 CHED C=CCC[C@H](NCCOc1cccc(C)c1)C1CC1 539071191 GAZDWXPODRNFME-KRWDZBQOSA-N 259.393 3.708 30 20 CHED C=CCN(C(=O)N[C@H](c1ccc(C)cc1)C1CC1)C1CC1 538956978 FZPANGPPLKXJSP-QGZVFWFLSA-N 284.403 3.806 30 20 CHED Cc1ccc(CNC(=O)c2ccc(Cl)c(C#N)c2)s1 538684621 JKNGUWRPJBEHFA-UHFFFAOYSA-N 290.775 3.512 30 20 CHED Cc1cc(Cl)cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 531657341 HYNPBFVOVOSXEV-BZNIZROVSA-N 290.794 3.851 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCN(C2CCCCC2)C1 538334274 SQQVHISVZTVPCJ-JKSUJKDBSA-N 292.467 3.502 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N1CCc2ccc(C#N)cc21 450260059 ZLPQBNDEEDRJEM-GOEBONIOSA-N 282.387 3.664 30 20 CHED C=CCC(C)(C)C(=O)NC1CCc2ccccc2CC1 456462323 RKRGFIFLTIGRQZ-UHFFFAOYSA-N 271.404 3.653 30 20 CHED N#Cc1cccc(CNc2ccc([C@@H]3CCOC3)cc2)c1F 453125614 SUUOYVAUTOBTAS-MRXNPFEDSA-N 296.345 3.813 30 20 CHED COc1ccccc1[C@H]1CCCN1c1nccc(C)c1C#N 368178630 IPZOFLSQLZGFPX-MRXNPFEDSA-N 293.370 3.612 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 618803446 INRMYZWYMKKSRS-DCGLDWPTSA-N 254.377 3.736 30 20 CHED Cc1cc(CSCc2ccccn2)ccc1C#N 618659744 AWZPNOOQPUFPHN-UHFFFAOYSA-N 254.358 3.695 30 20 CHED C[C@H](CN(C)C[C@@H](C)C#N)c1cccc(Cl)c1 275755271 TXGKRAJCGXCWCZ-NWDGAFQWSA-N 250.773 3.535 30 20 CHED C=CCC1(C(=O)N2CC[C@H](CC3CC3)C2)CCCC1 452162451 LRICPZLHRIUMSV-OAHLLOKOSA-N 261.409 3.772 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 454552509 ORCPMFYUNYFDSB-ZDUSSCGKSA-N 299.374 3.668 30 20 CHED C=CCC1(C(=O)N[C@H](CC)[C@@H]2CCCO2)CCCCC1 450245650 PHAUMLCEPRLKJR-CABCVRRESA-N 279.424 3.587 30 20 CHED C=CCCSCC(=O)N1c2ccccc2CC[C@@H]1C 610092517 NMXIEWCLXZQIDB-ZDUSSCGKSA-N 275.417 3.664 30 20 CHED Cc1cccc([C@H]2CCN(c3nc(C)cc(C)c3C#N)C2)c1 542276498 TVLUHANPVANITB-KRWDZBQOSA-N 291.398 3.872 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)N1CCC(C#N)CC1 455538556 KFEQRWDVIMDIJF-HOTGVXAUSA-N 291.439 3.538 30 20 CHED CCN(CC(F)(F)F)C(=O)c1ccc(C(C)(C)C#N)cc1 279672690 HZJBMZMLKBLWDP-UHFFFAOYSA-N 298.308 3.512 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H](C)[C@@H]2C)c1C#N 544066738 GMKDRWAHZLFQSY-ONGXEEELSA-N 263.772 3.540 30 20 CHED C=C(C)CCNC(=O)Nc1c(C)cc(OC)c(C)c1C 455415178 GSWCDPMGJYVNTE-UHFFFAOYSA-N 276.380 3.708 30 20 CHED C=C(C)CCNC(=O)N(CC)[C@@H](C)c1cccc(OC)c1 458998414 KHQOEVZUXXPMMT-AWEZNQCLSA-N 290.407 3.754 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(F)c(Cl)c1 627519386 UGZPOCYGORIVEZ-UHFFFAOYSA-N 283.774 3.740 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1noc(-c2ccccc2C)n1 276746724 KBUOGKJGVCPWMB-TZMCWYRMSA-N 285.391 3.735 30 20 CHED C=CCN(C(=O)Cc1csc(-c2ccccc2)n1)C1CC1 271449497 DLIYITMPIMLGRT-UHFFFAOYSA-N 298.411 3.530 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(Cl)s1 274291205 CMKQEGMMBJFTJB-LKFCYVNXSA-N 298.839 3.950 30 20 CHED CCO[C@@H]1C[C@H](Nc2cc(C(C)=O)ccc2C#N)C12CCC2 273257542 XFFDIMWWHASPLA-DLBZAZTESA-N 298.386 3.520 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(C(F)(F)F)ccc1Cl 626066374 GOCRINOYCAQFOB-SSDOTTSWSA-N 277.673 3.663 30 20 CHED C=CCCCc1nc(Cc2c[nH]c3cc(F)ccc23)no1 545686249 PIRIBLDLCFMUML-UHFFFAOYSA-N 285.322 3.790 30 20 CHED CCc1cccc(CSc2cc(C#N)ccn2)c1 468474259 DKOJCGXMOARNSA-UHFFFAOYSA-N 254.358 3.808 30 20 CHED CC1(C)CCC[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C1 464158166 IEVXCWGZLOMAEL-BLLLJJGKSA-N 264.413 3.647 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2ccc(C(C)C)nc2)no1 288968554 DOOMGLCECRPHSN-UHFFFAOYSA-N 294.314 3.695 30 20 CHED C[C@@H](N[C@H](C)c1c(F)cncc1F)c1ccc(C#N)cc1 285562403 HDAHJAYZJKARBM-GHMZBOCLSA-N 287.313 3.643 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccccc1C(F)(F)F 467739276 FJJSBGOKDNIGPJ-CQSZACIVSA-N 285.309 3.924 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCCC23CCCC3)CC1 550644138 NKOFDBTVUJWJRI-QGZVFWFLSA-N 276.468 3.729 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 285029253 IFAZFSCFISEDJI-KSSFIOAISA-N 286.419 3.799 30 20 CHED N#CCC[C@@H](C#N)CN1CC=C(c2cccc(Cl)c2)CC1 280263269 PYIFTTMCDIFDEL-AWEZNQCLSA-N 299.805 3.873 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N(C)C1CCCC1 282945629 JCGCQTTUOBQHCO-UHFFFAOYSA-N 299.418 3.765 30 20 CHED CN(CCCOc1ccc(Cl)cc1)[C@H]1CC[C@H](C#N)C1 556105158 RSTUYFUXLXLPPY-ZFWWWQNUSA-N 292.810 3.733 30 20 CHED CCCC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C1CCC1 552072996 JGCKZDJOCQQUIR-MRXNPFEDSA-N 288.366 3.786 30 20 CHED CC[C@H](Nc1ccnc(C#N)c1)c1ccc(OC)cc1 285500465 FFCYSEQDEGZGQD-INIZCTEOSA-N 267.332 3.525 30 20 CHED Cc1cc(OCc2nccn2C(F)F)c(C)c(C)c1C#N 285088633 IBRRTFACIQMLNY-UHFFFAOYSA-N 291.301 3.654 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCC[C@H]2C(F)(F)F)o1 288514837 TYJGHOICDGVGHK-ZWNOBZJWSA-N 286.297 3.610 30 20 CHED C=CCN(CCC#N)C(=O)CCc1ccc(C(C)(C)C)cc1 553102861 JYPSSDDLONUGLZ-UHFFFAOYSA-N 298.430 3.845 30 20 CHED C=CCCCCN[C@@H](C)c1cc(OC)c(OC)cc1F 471582998 SJBHYWUUZLARKW-LBPRGKRZSA-N 281.371 3.850 30 20 CHED CSCCON=C(C)c1c(F)cccc1Cl 807986626 PIDYGBWTOVUXQH-UHFFFAOYSA-N 261.749 3.583 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2oc(C(C)(C)C)nc2C#N)C1 800811541 YLSJTGHEWGVEFL-GHMZBOCLSA-N 274.368 3.678 30 20 CHED C#C[C@H](N[C@@H](C)[C@@H](C)c1ccc(OC)cc1)C(C)(C)C 809781788 APOZVZHBDDWODO-KEYYUXOJSA-N 273.420 3.825 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)Oc1ccc(C#N)cc1 801647847 QFPUBEKTMAMQQS-ZWKOTPCHSA-N 291.350 3.830 30 20 CHED N#Cc1ccc(/C=C\c2ccnc3ccccc23)nc1 806567385 WOYGKFZRPXUPMZ-VURMDHGXSA-N 257.296 3.672 30 20 CHED C[C@@H]1CC[C@H](C=NNc2cccc(C(F)(F)F)n2)C1 800812854 MSSNQZTUTXHVOU-ZJUUUORDSA-N 271.286 3.934 30 20 CHED FC(F)(F)c1csc(NN=CCCC2CC2)n1 807977759 ZCLIOSZYQQASJC-UHFFFAOYSA-N 263.288 3.750 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cc(-c2ccc(C)cc2)no1 803784261 NJVFLBSZNFWSAF-KRWDZBQOSA-N 298.342 3.633 30 20 CHED C[C@@H](c1noc(-c2ccc(C#N)c(Cl)c2)n1)C1CC1 561902185 DRSNUMKHRZCWFN-MRVPVSSYSA-N 273.723 3.775 30 20 CHED C=C[C@H](CC(=O)N=c1cccc(SC)[nH]1)c1ccccc1 561640840 BWSXWTIVPLHHKU-CYBMUJFWSA-N 298.411 3.524 30 20 CHED C#CCCCCC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 809371964 GNILXJSBDFSZQE-BETUJISGSA-N 289.341 3.760 30 20 CHED CC(=NNCC1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 808005974 MCQRDWUILMCIGD-IBGZPJMESA-N 299.462 3.664 30 20 CHED CC(=NNCCC(F)(F)F)c1c(F)cccc1Cl 807986302 HRVDCHNKWSUZJZ-UHFFFAOYSA-N 282.668 3.745 30 20 CHED C=CCCC1(C(=O)NCCc2cc3ccccc3o2)CC1 476081218 RRTFYPMYVVPTGE-UHFFFAOYSA-N 283.371 3.838 30 20 CHED N#CCc1ccc(NC(=O)N2CC(C3CCCCC3)C2)cc1 296401356 RBWXTORGBNWZLC-UHFFFAOYSA-N 297.402 3.797 30 20 CHED C=C[C@@](C)(CC)c1nc(C(CC)(CC)OC)no1 290404719 IDSHHUBYRSCZMA-ZDUSSCGKSA-N 252.358 3.585 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 560379101 SZKIVCHXPICHFM-HOTGVXAUSA-N 299.418 3.596 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(-c2ncco2)ccc1C 294975497 LZBFODBOEZUAAU-UHFFFAOYSA-N 270.332 3.801 30 20 CHED CCN(CCC#N)C(=O)c1ccc(C2=CCCC2)cc1 290264854 BFHCQIIBFJMKPO-UHFFFAOYSA-N 268.360 3.630 30 20 CHED CC(C)c1cc(C(=O)NC[C@H](C)C#N)c(O)c(C(C)C)c1 560614286 ARPRHJIQBVFSMJ-GFCCVEGCSA-N 288.391 3.528 30 20 CHED Cc1c([C@H](C)NC(=O)CC(C)(C)C#N)oc2ccccc12 483730544 ISBHFRCTEYCTLD-LBPRGKRZSA-N 284.359 3.858 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 560580943 LQZLTEMXLDSCOY-XQQFMLRXSA-N 257.381 3.814 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1 488459091 CSLCJXVZCXARKI-DDBAPUKQSA-N 268.404 3.995 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)c1ccc(C(C)C)cc1 568981172 GJVBRMKDCSEKNN-INIZCTEOSA-N 290.432 3.575 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(C#N)c(F)c1 484098404 NZNIMLAUMXUOGG-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CCn1cc(C=NOC/C=C\Cl)c2ccccc21 811670628 XFQNBNIJFOMXHP-ACGFNPAOSA-N 262.740 3.764 30 20 CHED C=CCCC(=O)OCc1cncc(-c2ccsc2)c1 816257462 ACWNNGXIHZUESK-UHFFFAOYSA-N 273.357 3.820 30 20 CHED C=CCN1CCC(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 482628143 JIFNNCDABVEIPF-KBAYOESNSA-N 278.484 3.687 30 20 CHED C=C1CCN(Cc2cc(F)ccc2OC(F)F)CC1 659911307 QBNSPWAQQNLWTE-UHFFFAOYSA-N 271.282 3.579 30 20 CHED CC(C)[C@@H]1CC(=NNc2ncccc2Cl)CS1 814810225 DCCMRIDAAQYSHB-NSHDSACASA-N 269.801 3.664 30 20 CHED C=CCOCCSCc1ccc2ncccc2c1 576255643 LNZJGGDXTNAIAB-UHFFFAOYSA-N 259.374 3.671 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)[C@H]1CCOC1 812233073 QVGSHUUYPFKFQO-AWEZNQCLSA-N 260.381 3.943 30 20 CHED Cc1nc(Cl)cc(N(C)[C@@H](C)c2cccc(C#N)c2)n1 819949478 IQVGVHVPDFNLKR-JTQLQIEISA-N 286.766 3.508 30 20 CHED Cc1ccc([C@H]2CCCN2c2ccc(C#N)c(C)n2)s1 488081879 CPARAQFKFHIBNS-CQSZACIVSA-N 283.400 3.973 30 20 CHED CCC(=NNc1ccc(C)cc1)c1ccc(F)cn1 814686829 BWFCIVUECBVEMC-UHFFFAOYSA-N 257.312 3.755 30 20 CHED C=CCC[C@H](CC)NCc1c(OC)cccc1OC 658119235 AFTURXPRVPHJFC-ZDUSSCGKSA-N 263.381 3.538 30 20 CHED Fc1ccc(NN=C2CC[C@@H]2C2CC2)c(F)c1F 814946273 IMJZBDFYWLLHMY-MRVPVSSYSA-N 254.255 3.692 30 20 CHED N#Cc1cc(NCCCc2ccccc2F)ccc1[N+](=O)[O-] 480784640 DJLSXYDCYPYLTH-UHFFFAOYSA-N 299.305 3.650 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C(=O)O)c1cccc(Cl)c1 659801579 HECITVYNMHTROT-QLFBSQMISA-N 291.778 3.649 30 20 CHED N#CCn1c(C(=O)Oc2ccc(F)cc2)cc2ccccc21 729305984 XAYALGJIBJBZKU-UHFFFAOYSA-N 294.285 3.523 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C2CC2)n(C)n1 811589866 JRPXTDIUBUMPRU-UHFFFAOYSA-N 289.423 3.554 30 20 CHED CC(=NN=C1CCCCC12CCCC2)c1cnccn1 814860777 FOCVVAHWLZVWSV-UHFFFAOYSA-N 270.380 3.776 30 20 CHED Clc1ccnc(NN=C2Cc3[nH]c4ccccc4c3C2)c1 814898216 LHTYZPMKYKZGIT-UHFFFAOYSA-N 296.761 3.783 30 20 CHED CCN(c1ccc(C(F)(F)F)c(C#N)n1)C1CCCC1 578733675 XDQJBBACHWQQMP-UHFFFAOYSA-N 283.297 3.741 30 20 CHED CCc1cc(O)nc(SCCC2(C#N)CCCCC2)n1 571026269 JQIAQTITJSMAGA-UHFFFAOYSA-N 291.420 3.701 30 20 CHED CC1(C#N)CCC(Nc2ccc3c(c2)CCCO3)CC1 824104469 VFZGSCONSYHNAA-UHFFFAOYSA-N 270.376 3.896 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C#CC(C)C)o1 829246581 WFPJFHVHHBQYGO-HIFRSBDPSA-N 273.376 3.547 30 20 CHED CC(C)C#CC(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 822442089 ZAISGKHICPYRTM-MRXNPFEDSA-N 298.430 3.516 30 20 CHED Nc1ccc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cn1 821030717 BFRDAEZXRMELIN-RJRFIUFISA-N 298.729 3.960 30 20 CHED C#CCCCOC(=O)c1cc2ccc(F)cc2s1 727040680 NIDAYKTYILWBFH-UHFFFAOYSA-N 262.305 3.611 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1F 727653674 WACBZJXEGGODPO-WMZJFQQLSA-N 287.309 3.927 30 20 CHED N#CCC1CCN(C(=O)/C=C\c2ccc(Cl)s2)CC1 492407661 KSISIVBSRDTVNV-RQOWECAXSA-N 294.807 3.567 30 20 CHED C=CCCNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 661572522 QFQVUMICOGFIFK-LBPRGKRZSA-N 272.348 3.711 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1OCC(C)C 490077781 SLWCHEKBGTXYOA-UHFFFAOYSA-N 298.386 3.961 30 20 CHED CC1(C#N)CCC(NCCCSc2nccs2)CC1 823937808 KJUMFGWPDLMWTL-UHFFFAOYSA-N 295.477 3.687 30 20 CHED C=CCOCCSCc1ncc(-c2ccc(F)cc2)o1 584711056 GRXJWHPGUHKWBD-UHFFFAOYSA-N 293.363 3.917 30 20 CHED C=CCN(C/C=C\c1ccncc1)Cc1ccccc1 495077028 CBLBHIPSPZCNLI-TWGQIWQCSA-N 264.372 3.783 30 20 CHED CC(C)CO[C@@H]1CC(=NNc2ccc(C#N)cc2)C1(C)C 737428850 HTOAACJYGMUPFQ-MRXNPFEDSA-N 285.391 3.797 30 20 CHED Cc1cc(Cl)cc([C@@H](C)NCC2(C#N)CCC2)c1O 903035929 WPFQPKVMVKPSGN-LLVKDONJSA-N 278.783 3.699 30 20 CHED N#CC1(CCCCOC(=O)c2cc(O)ccc2F)CCC1 909356059 KZEXYSHTEIQQRA-UHFFFAOYSA-N 291.322 3.552 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 904238214 HTRASISAWQSESI-ZDUSSCGKSA-N 289.338 3.954 30 20 CHED N#C[C@H]1CCCN(Cn2ccc(=S)c3ccccc32)C1 905722965 NSFWVNBTYZMSAK-CYBMUJFWSA-N 283.400 3.564 30 20 CHED CC[C@H](N[C@@H]1CCO[C@H](C2CC2)C1)c1cccc(C#N)c1 902954939 ZTJSCBMNSNGUKF-SQNIBIBYSA-N 284.403 3.557 30 20 CHED N#Cc1ccccc1-c1cc(F)ccc1OC[C@H]1CCCO1 589962498 LKGVGLKDOYYICZ-OAHLLOKOSA-N 297.329 3.922 30 20 CHED C=CCn1c(S[C@@H](C)OC)nnc1-c1ccc(C)cc1 901515825 LJLJABJZGBVRPA-LBPRGKRZSA-N 289.404 3.524 30 20 CHED C#CCOc1cccc(OC(=O)CCCc2ccccc2)c1 730498303 SLWYKYHCEJPHHD-UHFFFAOYSA-N 294.350 3.627 30 20 CHED N#CCCCCCC(=O)NCCCC1CCCC1 588149423 HALCNMBRGBEJIC-UHFFFAOYSA-N 250.386 3.547 30 20 CHED C=CCC1(NC(=O)c2scnc2Cl)CCCCC1 836956490 HPBNBYHQZSACTK-UHFFFAOYSA-N 284.812 3.805 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)C(C)(C)C 733874338 QTMYVEVGHZZNRX-UHFFFAOYSA-N 299.823 3.531 30 20 CHED CC[C@H](NCC1(C#N)CC1)c1cccc(Cl)c1F 903107060 ZPOHCCAHYPXAPH-LBPRGKRZSA-N 266.747 3.824 30 20 CHED CC(=NOC(C)C)c1sccc1Br 835004462 OIOKSEPOFAROTQ-UHFFFAOYSA-N 262.172 3.660 30 20 CHED Cc1cc(F)cc2c1N(C(=O)CCCCCC#N)CCC2 588925252 HJBXUAJVNKXSDO-UHFFFAOYSA-N 288.366 3.887 30 20 CHED C=CCC1(NC(=O)/C=C/c2ccc(C)nc2)CCCCC1 836956670 KBVAMMCLUYQZRV-MDZDMXLPSA-N 284.403 3.798 30 20 CHED C[C@H]1CC[C@H](C)C(=NNc2nccnc2C2CCC2)C1 834979815 OHTLVNNZQVUCSV-RYUDHWBXSA-N 272.396 3.968 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](C)C1 670209052 MVFNXPYWRWMISQ-KBPBESRZSA-N 276.428 3.604 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1[C@H]2CC[C@H]1CC(C)C2 596709973 XIDAXRNGLBTYMV-GJZGRUSLSA-N 283.375 3.662 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1ccc2c(c1)CCC2 837721893 KSIGDOYYIUKUDU-SJKOYZFVSA-N 271.360 3.719 30 20 CHED CCCNN=C(C)c1ccc(SCC(F)F)cc1 741761351 MJYBCKKHDHFIMQ-UHFFFAOYSA-N 272.364 3.767 30 20 CHED Cc1nnc(S[C@H]2CCc3ccccc3C2)c(C#N)c1C 596362670 JXIDZJWKQVBEJO-HNNXBMFYSA-N 295.411 3.615 30 20 CHED CC[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccncc1 597291197 DMVLKRFFTBSARP-HNNXBMFYSA-N 285.391 3.513 30 20 CHED CC(C)(CC(=O)OCCCCC#N)c1ccccc1 743079791 WOWUEFLTFLBGBT-UHFFFAOYSA-N 259.349 3.591 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C(=O)O)c1ccccc1 840995845 GTHMUTIRDYDZPQ-UKRRQHHQSA-N 261.365 3.537 30 20 CHED C=C(Cl)CN1CCn2cccc2[C@H]1c1ccccc1 747669491 LZDUMXBKKWMWJK-MRXNPFEDSA-N 272.779 3.646 30 20 CHED CN(CC#Cc1cccc(Cl)c1)Cc1ccsc1 676542911 UYCITWDWVGCMON-UHFFFAOYSA-N 275.804 3.885 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2ccc(CC(=O)O)cc2)C1 848413980 GWPVWLHDTGXMBZ-DZGCQCFKSA-N 288.391 3.928 30 20 CHED Cc1cc(/C=C2\CSc3cc(C)c(C)cc3C2=O)n(C)n1 841487415 SHJVZFQOLIDPCX-MDWZMJQESA-N 298.411 3.717 30 20 CHED C=CCCOCC(=O)NC(C)(C)c1ccc(C(C)C)cc1 591300942 SDCZHWWWZUQGDC-UHFFFAOYSA-N 289.419 3.754 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C=C1CCCC1 745064425 STNHCGULABDIBH-UHFFFAOYSA-N 280.371 3.573 30 20 CHED CO[C@@H]1CCC[C@@H](C(=O)OCCC2(C#N)CCCCC2)C1 840577279 LXRSHMCZHXWAMT-HUUCEWRRSA-N 293.407 3.599 30 20 CHED C[C@H](OC(=O)c1ccc2c(c1)COC2)c1ccc(C#N)cc1 748683280 BMYHMNYZPOLILD-LBPRGKRZSA-N 293.322 3.506 30 20 CHED CCCC(=NNc1nc(O)c2ccccc2n1)[C@H]1CC1(C)C 841629882 XXKWDOYYUPCRNA-GFCCVEGCSA-N 298.390 3.950 30 20 CHED C=CCOc1ccc(C(=O)Oc2c(F)cccc2F)cc1 914440130 VYOZMROVOFVRML-UHFFFAOYSA-N 290.265 3.749 30 20 CHED Cc1ccc([C@H](C)NCCc2ccc(C#N)cc2)cc1 595061622 SPINDNKDVUOEIV-HNNXBMFYSA-N 264.372 3.760 30 20 CHED CCN(Cc1nc(-c2ccccc2)cs1)[C@H](C)C#N 595820061 IPCDSKLASJGUFV-GFCCVEGCSA-N 271.389 3.544 30 20 CHED N#Cc1c(Cn2ncc(Cl)c2C2CC2)cn2ccccc12 596312019 KXPRMHCPZZMCAM-UHFFFAOYSA-N 296.761 3.587 30 20 CHED C[C@@](C#N)(NC(=O)/C=C\C1CCCC1)C1CCCCC1 843567712 FNOPWXVQUXLPGS-CPFIRTDXSA-N 274.408 3.712 30 20 CHED N#Cc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)s1 748994150 HODROJNTBFEDOE-SDQBBNPISA-N 286.743 3.766 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccc(N)cc2)CCCC1(C)C 841297055 MAMJSPSGVLCUAC-HNNXBMFYSA-N 287.407 3.867 30 20 CHED Cc1coc(-c2ccc(C3(C#N)CCOCC3)cc2)c1 596639247 MUBJNPUKFMDWJA-UHFFFAOYSA-N 267.328 3.827 30 20 CHED C[C@H](N[C@@H](C)C1(Br)CC1)c1ccc(C#N)cc1 924786810 TWZJLGJAFVVAQA-QWRGUYRKSA-N 293.208 3.525 30 20 CHED Cc1cc(C)cc(NN=Cc2cc(F)c(O)c(F)c2)c1 749854168 GHVNXRNXQOTFRD-UHFFFAOYSA-N 276.286 3.733 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1[C@@H](C)c1ccccc1 928384982 NUFQEQFPCVFQND-RDJZCZTQSA-N 269.388 3.585 30 20 CHED CC#CCOC(=O)c1c(C)n(CCC)c2ccc(OC)cc12 744617842 DPTPPCGQXVTFTO-UHFFFAOYSA-N 299.370 3.548 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1coc(-c2cccs2)n1 929601407 PCHBBXABGTVQJG-NSHDSACASA-N 290.388 3.622 30 20 CHED C#CC(=O)N[C@@H](c1ccccc1C)C1CCC(C)CC1 754025470 SMVVPZLMRFGYOL-LEHRNKBSSA-N 269.388 3.612 30 20 CHED Cc1ccc(-c2nc(C=NO[C@@H]3CCCCO3)co2)cc1 755823654 YNKAYJSDNYFGAV-OAHLLOKOSA-N 286.331 3.527 30 20 CHED C=C(Br)COC(=O)C[C@@H]1CCC[C@H](C)C1 750241365 NBXJQRIYDJYFKC-GXSJLCMTSA-N 275.186 3.655 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 753148039 FHRLXLZZIXWJIH-VHSXEESVSA-N 299.201 3.765 30 20 CHED C#CCCOC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 753560855 JEKDTUDCXDLFCY-UONOGXRCSA-N 256.345 3.542 30 20 CHED Cc1cc(NN=C2CCc3c(Cl)cccc32)nc(C)n1 921258090 JOQYOVNFUWLHBN-UHFFFAOYSA-N 286.766 3.509 30 20 CHED CCC(=NNc1cc(Cl)ccc1Cl)c1nccn1C 755752836 IJRGGWGZPMYGPU-UHFFFAOYSA-N 297.189 3.953 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@H]1CCO[C@@H](CC)C1 851141455 AQWSUARNAIWVNI-UGUYLWEFSA-N 280.408 3.870 30 20 CHED Cc1ccc(-c2ccc(C=NNc3ncccn3)s2)cc1 920478664 CEVNEFKZIRODJF-UHFFFAOYSA-N 294.383 3.960 30 20 CHED COc1cccc2c1CCC(=NOCCC(F)(F)F)C2 754974433 VCNZQZDRVFSFRF-UHFFFAOYSA-N 287.281 3.509 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 855440744 OHSPOLRAOOAMFI-GFCCVEGCSA-N 275.417 3.665 30 20 CHED N#CCCN(Cc1ccco1)C(=O)OCC1CCCCC1 858882913 IWFPEUJSGDPOPO-UHFFFAOYSA-N 290.363 3.712 30 20 CHED C=CC(C)(C)CCOC(=O)c1cnc([C@@H](C)OCC)s1 851299636 SWOVWCQLLFGYDR-LLVKDONJSA-N 297.420 4.000 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(O)cc1SC 935632860 OWCOYOWZLRWWSL-JTQLQIEISA-N 265.378 3.655 30 20 CHED CC(C[C@H]1CCOC1)=NOc1ccccc1C(F)(F)F 754722826 GAHLMGMQWQPJJQ-LLVKDONJSA-N 287.281 3.887 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@](C)(CC)C1)c1ccccc1 757773839 FLWCZVZJOJHNSI-PKOBYXMFSA-N 298.430 3.973 30 20 CHED CO[C@@H](COC(=O)CCCCCC#N)c1ccc(F)cc1 859691143 ATXLAVXJPWZNHU-HNNXBMFYSA-N 293.338 3.530 30 20 CHED FC(F)(F)c1ccccc1ON=Cc1cccnc1 754712856 VTRSKFCXSOPOQP-UHFFFAOYSA-N 266.222 3.513 30 20 CHED N#CCc1ccc(OC(=O)OCC2CCCCC2)cc1 858881400 ZWPFKCIQGUUNHA-UHFFFAOYSA-N 273.332 3.848 30 20 CHED Cn1c(C=NNc2ccccc2Cl)nc2ccccc21 755473604 WKIUUYODEUVYEM-UHFFFAOYSA-N 284.750 3.673 30 20 CHED C=C[C@@H](CC)CC(=O)NC(C)(C)c1nc2ccccc2n1C 935437977 XPIDYMZVNKETJH-ZDUSSCGKSA-N 299.418 3.527 30 20 CHED CC(C)(C)C1=CCN(c2snc(Cl)c2C#N)CC1 758218562 ZCGXSIVKILCYED-UHFFFAOYSA-N 281.812 3.851 30 20 CHED C=C[C@@H](CC)CC(=O)NC1(C)CCC(F)(F)CC1 935340592 VGIXVKTUOVAXKL-NSHDSACASA-N 259.340 3.673 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 933828476 TWOPVCAHKGAVMT-ZMSDIMECSA-N 287.403 3.577 30 20 CHED C#C[C@@H](C)OC(=O)c1cc(C(F)(F)F)ccc1Cl 860560411 ICAAFCVPPKBMLB-SSDOTTSWSA-N 276.641 3.537 30 20 CHED CCCCCCCNC(=O)[C@H]1CCCCCC(=O)C1 862356307 WGFZIBIDWXQRNC-AWEZNQCLSA-N 267.413 3.613 30 20 CHED N#CCC1(CNC(=O)c2ccc(Cl)c3occc23)CC1 935782190 CIUBAGLKYRNBJB-UHFFFAOYSA-N 288.734 3.510 30 20 CHED CCCCCC[C@H]1CCC[C@H]1NC1CCN(CC#N)CC1 765856946 SEJUESVTVXAPPM-FUHWJXTLSA-N 291.483 3.703 30 20 CHED CCCCCCCNC(=O)c1cnc(C)nc1C(C)C 862360027 UHAFJMDRVDGHIQ-UHFFFAOYSA-N 277.412 3.609 30 20 CHED CC(C)=NNC(=S)Nc1ccc(Cl)cc1Cl 864095559 QTWNQTAYPHVCGT-UHFFFAOYSA-N 276.192 3.676 30 20 CHED C#CCCc1noc([C@@H](C)Oc2ccc(Cl)c(C)c2)n1 762016719 UYINHLFOMRAXKW-LLVKDONJSA-N 290.750 3.737 30 20 CHED CC(CCCCO)=NNc1ccc(Cl)cc1Cl 766687422 LTTKYALLWWONDA-UHFFFAOYSA-N 275.179 3.944 30 20 CHED C#C[C@@H](OC(=O)c1sc(C)nc1C)c1ccc(C)cc1 860966558 XGAKSPCNLORZKT-CQSZACIVSA-N 285.368 3.600 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(CC)o1 760681351 YKPQUITZWFTGFH-UHFFFAOYSA-N 273.307 3.605 30 20 CHED N#CC1(OC(=O)c2csc3ccccc23)CCC1 762097321 ATJWUQWTFYRUOM-UHFFFAOYSA-N 257.314 3.504 30 20 CHED FC(F)(F)c1cccnc1C=NNc1ccccc1 765545040 ZMCQWMBGHHNVDR-UHFFFAOYSA-N 265.238 3.546 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)c1ccccc1OCC#N 768190994 XAJWAEDVKQTENO-AWEZNQCLSA-N 295.338 3.815 30 20 CHED CCCCC[C@@H](NC1CCN(CC#N)CC1)c1ccccc1 765855931 IAFSCEAKHVVRFC-LJQANCHMSA-N 299.462 3.886 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(C#N)c(C)c2)o1 766489354 CTRBQNYQRNPPFC-VMPITWQZSA-N 265.312 3.918 30 20 CHED CC(=NN=C1C[C@@H]2CCCc3cccc1c32)c1cnccn1 763356869 AUJSXABTIFYIJT-AWEZNQCLSA-N 290.370 3.514 30 20 CHED N#CC1(c2nnc(-c3ccccc3F)o2)CCCCC1 1118128607 GCFAYLPPAZWGDW-UHFFFAOYSA-N 271.295 3.601 30 20 CHED CCCCCCCNC(=O)N(CC)CCc1ccccn1 875765639 UUXAGVCQKUWFON-UHFFFAOYSA-N 291.439 3.626 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](Cc2ccccc2)C1 779917304 APIZQVDMXHMYBL-GOSISDBHSA-N 283.415 3.661 30 20 CHED C=C(CC)CN1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 773427298 FXUMMRYCOVIZIY-VYDXJSESSA-N 259.393 3.803 30 20 CHED C#CCCCCCC(=O)NCC1CCC(CC)CC1 779859429 IEVGVSBQPYHJDD-UHFFFAOYSA-N 263.425 3.903 30 20 CHED C#CC[C@H](NC(=O)c1cc(C)nc(Cl)c1)c1ccccc1 777754451 PBRFHKWPUJWUQS-HNNXBMFYSA-N 298.773 3.538 30 20 CHED C=CCN(C(=O)Nc1cccc(N2CCCCC2)c1)C1CC1 772263070 HKAJCDUDDMWZAT-UHFFFAOYSA-N 299.418 3.859 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2cscc2C)c1 775233758 GSUZVHNWEMKSJB-APSNUPSMSA-N 275.373 3.780 30 20 CHED CC(=NOCCC(F)(F)F)c1cccc(C)c1C 777461158 VJQIPSQFWXTXKT-UHFFFAOYSA-N 259.271 3.996 30 20 CHED C#C[C@H](C)NC(=O)C(CC)(CC)c1ccc(Cl)cc1 772966454 HOALZYOEGDZTRA-LBPRGKRZSA-N 277.795 3.536 30 20 CHED C#CCCCCCC(=O)N1c2ccccc2C[C@H]1C 779707634 PJBXDJUHWOEXBM-CQSZACIVSA-N 255.361 3.548 30 20 CHED C=CCC(F)(F)C(=O)N(c1ccccc1C#N)C1CCC1 1119426536 KNJYHIRMYWDVDM-UHFFFAOYSA-N 290.313 3.655 30 20 CHED CCc1cccnc1C(C)=NNCc1ccccc1Cl 779770961 NIMZRGXCDIWGSN-UHFFFAOYSA-N 287.794 3.811 30 20 CHED C#CCCCCCC(=O)NC[C@H](C)c1ccc(F)cc1 779870243 RFYFVWWDCFXYIW-AWEZNQCLSA-N 275.367 3.629 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1sc(CC)cc1C#N 779859909 NASSRSKGJXUUQG-KTKRTIGZSA-N 262.378 3.867 30 20 CHED CCOCCON=C1C[C@@H](C)C[C@H](c2ccccc2)C1 774430656 CAGXEYCQKKYXJN-HOCLYGCPSA-N 275.392 3.999 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC2(CCCC2)C1 775610183 LYKUMYDYKUWALM-UHFFFAOYSA-N 274.795 3.978 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)c1cccs1 773105956 RQBCLNJWDRBTOF-UHFFFAOYSA-N 276.744 3.610 30 20 CHED N#CCc1ccccc1CC(=O)NCCCCC1CCCC1 776974741 ZRKFBZKXXCDDCZ-UHFFFAOYSA-N 298.430 3.772 30 20 CHED Cn1cc(C=NOCc2ccccc2)c(-c2ccccc2)n1 771551073 POZZQAZTKVJTNN-UHFFFAOYSA-N 291.354 3.638 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)cc1-n1cccc1 776359562 VCJXCQDNFCCTMP-UHFFFAOYSA-N 284.334 3.749 30 20 CHED CCOCCON=Cc1cc(-c2ccccc2)cs1 774431093 DERHEODJGJQSAS-UHFFFAOYSA-N 275.373 3.802 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C#N)C1CCCCC1 776397521 OPBZWSJQGQCIDS-HNNXBMFYSA-N 261.365 3.770 30 20 CHED Cc1ccc(NN=C2CCOC3(CCCCC3)C2)nc1 884425522 KUCXUNICOZVWRJ-UHFFFAOYSA-N 273.380 3.671 30 20 CHED C(=NOC1CCCC1)c1ccc(N2CCCCC2)o1 774596618 HVAPIVMQUWZWHD-UHFFFAOYSA-N 262.353 3.563 30 20 CHED N#CCc1cccc(NCc2cc3ccccc3o2)n1 771756669 JGHHHBVJNHSSKE-UHFFFAOYSA-N 263.300 3.506 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cnn(C)c1C 779825454 UBRSHVKHOSKKTO-UHFFFAOYSA-N 284.407 3.862 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)Oc2cc(F)ccc21 773173209 QVQOTQSYMIRNDJ-MKMNVTDBSA-N 276.213 3.720 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CC[C@H](C)OC)c1cccs1 1123107146 RYWFIXGGBJVPGB-YWPYICTPSA-N 295.404 3.697 30 20 CHED CC(F)(F)c1ccccc1NC(=O)c1ccc(C#N)cc1 1129114744 JRQFIYIJRSCDJV-UHFFFAOYSA-N 286.281 3.922 30 20 CHED COc1ccc2c(c1)CC[C@H](Nc1ccc(C#N)cc1F)C2 784176172 YSFALZIFWFEJDK-HNNXBMFYSA-N 296.345 3.675 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C)C2)cc1C#N 1124388193 HRMFQJPWTMPWGB-NHYWBVRUSA-N 257.333 3.602 30 20 CHED C/C=C/C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485913 OAWSWEIFOFBOQT-KQIUPUNMSA-N 290.366 3.979 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2ccccc2)CCCCC1 788140924 JBQROHQSMPZAFB-OAHLLOKOSA-N 269.388 3.838 30 20 CHED N#Cc1ccc(OC(=O)c2csc3ccccc23)cc1 785870824 PNPASIUMQFZISB-UHFFFAOYSA-N 279.320 3.992 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1cc2ccccc2o1 780252999 NDERHGMYEABCBH-AWEZNQCLSA-N 286.375 3.704 30 20 CHED Clc1cncnc1NN=Cc1ccc2ccccc2c1 780275730 UDFNLHVMQTVCQK-UHFFFAOYSA-N 282.734 3.729 30 20 CHED COc1ccc(NN=C2CCC(C(F)(F)F)CC2)nc1 780275516 YUBNKTDCAWZYNI-UHFFFAOYSA-N 287.285 3.611 30 20 CHED CCc1cccc2c(C=NN[C@@H]3CCOC(C)(C)C3)c[nH]c12 780247560 SKQAEWNZUAERCY-OAHLLOKOSA-N 299.418 3.611 30 20 CHED Cc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c(N)cc1F 784657886 ITVRVYMVFCMJFX-NSHDSACASA-N 298.317 3.506 30 20 CHED C#CCCCCCC(=O)OCC(=O)c1ccc(C)cc1C 780255289 PFNGPQFJQNVSJX-UHFFFAOYSA-N 286.371 3.613 30 20 CHED C#CCCCCCC(=O)Nc1cc(CCC(C)C)[nH]n1 788012303 KLHPXBYOQDIPLB-UHFFFAOYSA-N 275.396 3.521 30 20 CHED C#CCCCCCC(=O)OCc1ncccc1C(F)(F)F 784958028 REYADHJNNLKPBK-UHFFFAOYSA-N 299.292 3.727 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2ccc(C)c(Cl)c2)n1 1130814757 CQFCGLREAKVFDV-UHFFFAOYSA-N 299.761 3.784 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)c1 792917819 QUYOKRTWRYJCSY-KPKJPENVSA-N 293.366 3.593 30 20 CHED CCc1occc1C(=O)OCc1ccc(C#N)cc1Cl 797489034 URZRDWUIQRTSJL-UHFFFAOYSA-N 289.718 3.724 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc3c2OCCCO3)oc1C 799895089 KXDWXQSCZIDWEY-BQYQJAHWSA-N 298.338 3.954 30 20 CHED C#CCC1(C(=O)NC[C@@H]2CCC[C@H]2C)CCCCC1 798683870 VXCBUNXSXPFUMK-CABCVRRESA-N 261.409 3.513 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H](O)c1ccc(C)o1 793537482 XDDRDFKKPIFCKE-UKRRQHHQSA-N 265.397 3.736 30 20 CHED C#CCOC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 799592823 PXXDFNGBWCVAHR-UHFFFAOYSA-N 294.137 3.779 30 20 CHED O=C(/C=C/c1cccc(Cl)c1Cl)c1ccnc(O)c1 791433764 SJVVAHGFJJIWEB-SNAWJCMRSA-N 294.137 3.990 30 20 CHED C=CC[C@H](CC)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C 798937186 PALWDQPDINGTRO-IHRRRGAJSA-N 284.444 3.623 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1Cl)C(C)C 798555633 MEWQDZNQWYKUNU-SWLSCSKDSA-N 292.810 3.700 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 795005408 ULDRUVKQUJTEDW-DZGCQCFKSA-N 292.423 3.502 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H](O)c1ccc(F)cc1 793525450 OKWYNFVZXKMXNH-RHSMWYFYSA-N 279.399 3.974 30 20 CHED C=CCC[C@@H](NCc1cnc(Cl)cn1)c1ccccc1 799154361 KKIWHLRUCOTHKJ-OAHLLOKOSA-N 287.794 3.927 30 20 CHED COCCCON=Cc1ccc(-c2ccc(Cl)cc2)o1 795056163 UHCUREPTPNUTPW-UHFFFAOYSA-N 293.750 3.987 30 20 CHED C=C(CC)COC(=O)CCCC(=O)c1cccc(OC)c1 795995078 AMRKFLAMPSKEEE-UHFFFAOYSA-N 290.359 3.558 30 20 CHED C[C@]1(C=NNc2nc3ccccc3s2)CCCS1 792869062 ITRUUBDWZFOGQH-CYBMUJFWSA-N 277.418 3.980 30 20 CHED Cc1ccc(C(=O)Oc2cccc3[nH]ccc23)cc1C#N 799613230 SRNZHFHAHOXLIM-UHFFFAOYSA-N 276.295 3.567 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)s1 135674120 PAJRVNURDKDKMA-INIZCTEOSA-N 268.385 3.861 30 20 CHED CC(C)(C)C1CCC(Cn2cc(C#N)ccc2=O)CC1 1166314340 OYAPSGPCXKUUCS-UHFFFAOYSA-N 272.392 3.572 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCC[C@@H]1C1CC1 1163501731 ZSCDXEWBCOTXBW-QWHCGFSZSA-N 258.340 3.936 30 20 CHED CCCCCCCCCN1CCC[C@H](C(=O)O)C1 59265876 RRMPICIRDBKXQW-AWEZNQCLSA-N 255.402 3.534 30 20 CHED C[C@H]1CCN(C)c2ccccc2N1Cc1cccc(C#N)c1 1167688149 AINSOLVWZQHDIZ-HNNXBMFYSA-N 291.398 3.793 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc2c(c1)OCCO2 398073007 NJDAVRSGIGFSEU-ZIAGYGMSSA-N 275.392 3.853 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 409579460 FUMGURSVKGWXRB-TZMCWYRMSA-N 271.364 3.506 30 20 CHED Cc1ccc(-c2nnc(CSc3ccc(C#N)cc3)o2)o1 1322382939 KIWLHQAYFQKPGR-UHFFFAOYSA-N 297.339 3.802 30 20 CHED Cc1ccnc(CSCc2cc(F)ccc2C#N)c1 1321024969 UAOVHRMFPCTKEW-UHFFFAOYSA-N 272.348 3.834 30 20 CHED C=C(C)CCOC(=O)c1cc(C)nc2cc(F)ccc12 1323610133 VLZVNOXTGNRNHS-UHFFFAOYSA-N 273.307 3.805 30 20 CHED N#Cc1cccc(CN2CC[C@H](C3CCCC3)C2)c1 708819437 ZYAYLLJPLGYGAY-KRWDZBQOSA-N 254.377 3.570 30 20 CHED Cc1ccc(C#N)c(N2CC[C@H](C3CCCCC3)C2)n1 708817251 XVNZGDANMIOHDC-INIZCTEOSA-N 269.392 3.668 30 20 CHED N#CC1(CSCc2ccc(Oc3ccccc3)nn2)CC1 1337280278 LFEPAHHLRKHSFZ-UHFFFAOYSA-N 297.383 3.806 30 20 CHED C#CCN(C(=O)c1cccc(F)c1Cl)C1CCCCC1 688831293 PZEXWQUVEZMLNE-UHFFFAOYSA-N 293.769 3.887 30 20 CHED C=CCCSCCNc1ncc(Cl)cc1F 596413697 SCCKNUDSUVERGG-UHFFFAOYSA-N 260.765 3.595 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc2c(Cl)nccc12 1331368760 NFIOHZVXALGONK-HNNXBMFYSA-N 287.750 3.767 30 20 CHED C=CCn1c(-c2ccco2)nnc1N(C)c1cccc(C)c1 1337990355 IYIZPWIUIGHNJM-UHFFFAOYSA-N 294.358 3.800 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C[C@H](C)CCC=C(C)C 1349702781 SPTPYZNLAKMYIE-CABCVRRESA-N 287.407 3.852 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(-n2ccc(C)n2)c1 1347878634 MSFMCBDXIZMBLL-UHFFFAOYSA-N 297.402 3.655 30 20 CHED C=C(CC(C)C)C(=O)N1CC[C@@H](c2ccccc2OC)C1 1346046215 YYUMGVMLOYMRLB-OAHLLOKOSA-N 287.403 3.613 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccsc2C#N)cc1 1515961406 JXBAQZMEMBDAIB-UHFFFAOYSA-N 286.356 3.659 30 20 CHED C[C@H](OC(=O)c1ccc2c(c1)CCC2)c1cccc(C#N)c1 1518183875 KOKDQKULQFQEIQ-ZDUSSCGKSA-N 291.350 3.965 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(C#N)c(F)c1 1527516743 SIHSZDORLIAIIM-UHFFFAOYSA-N 295.317 3.531 30 20 CHED CC(C)c1ccccc1C(=O)NCc1cccc(C#N)c1 1526220388 SELVYHYMKBTFTL-UHFFFAOYSA-N 278.355 3.612 30 20 CHED C=C(CC)C(=O)Nc1sc(C)nc1CC(C)C 1521256247 ZLPHJNOXYBAPHM-UHFFFAOYSA-N 252.383 3.555 30 20 CHED O=C(O)c1coc(/C=C2/CCCc3ccccc3C2=O)c1 1602551903 JKRYIHDCPBCWPR-WQLSENKSSA-N 282.295 3.580 30 20 CHED Cc1cccc(C#N)c1SCc1cccc(C(=O)O)c1 1600510034 DZNRLKSQHNJUIY-UHFFFAOYSA-N 283.352 3.857 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CC[C@H](C)C[C@H]1C 1538683898 IZCFSANFAVSJQA-NORZTCDRSA-N 271.360 3.848 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2ccsc2)c1 1535892924 JGCCWJCOPXXKFK-NSHDSACASA-N 270.357 3.670 30 20 CHED Cc1csc(COc2c(C)cc(Cl)cc2C#N)n1 1613875745 LADWHVQMHPHJDC-UHFFFAOYSA-N 278.764 3.864 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1C#N 1624564176 HKFFVDSGJMOQEJ-OUJBWJOFSA-N 291.420 3.874 30 20 CHED C[C@@H]1COc2ccccc2N1Cc1ccc(Cl)cc1C#N 1652830607 PPEKEIBZILAUJI-GFCCVEGCSA-N 298.773 3.999 30 20 CHED CCc1nc(C#N)cc(S[C@@H](C)c2ccccc2F)n1 1655049600 WTAZMSCWRGEFPC-JTQLQIEISA-N 287.363 3.903 30 20 CHED COc1cc(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)ccc1C#N 1659161056 YSGKRUXKSJCQLT-BMGDILEWSA-N 298.430 3.967 30 20 CHED C[C@H]1CCN(Cc2cccc(C#N)n2)c2ccccc2S1 1659202268 JFXBARDPJHSQRC-ZDUSSCGKSA-N 295.411 3.844 30 20 CHED Cc1ccc(N(C)Cc2ccc(OCC#N)cc2)c(F)c1 1653895142 JCBNBOKTLRZHLH-UHFFFAOYSA-N 284.334 3.673 30 20 CHED COc1ccc(CN[C@H]2CCC[C@@H]2C(C)(C)C)cc1C#N 1656419905 UJYKFYBXYOJWAR-HOTGVXAUSA-N 286.419 3.871 30 20 CHED CC[C@@H]1C[C@H]1COc1cc(C#N)ccc1Br 1652147079 HLBRJUXUXDMADG-MNOVXSKESA-N 280.165 3.746 30 20 CHED CC(C)[C@H](Cc1ccccc1)NCCC(C)(C)C#N 1655584359 OVJWSGZVAVGPBT-INIZCTEOSA-N 258.409 3.783 30 20 CHED C=C(C)C[C@H](Nc1ncnc2ccc(C(C)C)cc12)C(=O)O 1588555050 XWLUKKMTGWBTAE-HNNXBMFYSA-N 299.374 3.585 30 20 CHED C=C(Br)CN1CCC[C@@]1(C)CC(C)C 1654517714 ODSUOKXWBDUJRH-LBPRGKRZSA-N 260.219 3.796 30 20 CHED CC[C@@](C)(CN(Cc1ccc(C#N)cc1)C(C)C)OC 1651760940 NOTAYKNBYADOTN-KRWDZBQOSA-N 274.408 3.584 30 20 CHED C=C(Cl)CN1CCC[C@@]1(C)Cc1ccccc1F 1654001881 NHNBFWJETBMPTG-HNNXBMFYSA-N 267.775 3.975 30 20 CHED CC[C@H](NCc1cccc(C#N)n1)c1ccc(C)c(F)c1 1652031725 INKDVFJIWZWUBF-KRWDZBQOSA-N 283.350 3.642 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C)c(C)cc2Cl)n1 1583805472 YSXZYUQUHHQSKC-UHFFFAOYSA-N 299.761 3.784 30 20 CHED C=CCN(Cc1ccc(Cl)cc1)[C@@H](CCCC)C(=O)O 1776180566 POVIUACWDYOYTR-HNNXBMFYSA-N 295.810 3.971 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)CC2 336146395 VLCMRNFHVRZHSN-MRXNPFEDSA-N 268.385 3.705 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1ccc(C(=O)O)s1)C2 1777455740 SIPGUSHVRMJGPM-FLIBITNWSA-N 284.336 3.577 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)C1CC2(CCC2)C1 1776064808 HABJHNMYIXANMH-UHFFFAOYSA-N 290.338 3.892 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1ccc2ccccc2c1C 1776149220 WDWLRZCKZKCRDH-INIZCTEOSA-N 283.371 3.657 30 20 CHED CCCCCCCCCN(C)c1ccc(C(=O)O)cn1 1776785380 KLEZFRPDSVMGHW-UHFFFAOYSA-N 278.396 3.967 30 20 CHED CCc1ccccc1NC(=S)N(CCC#N)CC(C)C 18921568 QAKOLRBSPQIWKR-UHFFFAOYSA-N 289.448 3.817 30 20 CHED C=CCN(C)C(=O)CCCSc1ccc(Cl)cc1 161494419 CTPWUSQBONLIAH-UHFFFAOYSA-N 283.824 3.857 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCCCOC)cc1 158323067 JCMRLIHWWVVUHQ-AWEZNQCLSA-N 297.826 3.895 30 20 CHED N#Cc1cccc(SCc2ccc(F)c(C#N)c2)c1 158717335 XRPHENDQFIANES-UHFFFAOYSA-N 268.316 3.861 30 20 CHED N#CCCN(CC#Cc1cccc(Cl)c1)Cc1ccco1 154251763 QSOTZAZBIUNXGB-UHFFFAOYSA-N 298.773 3.700 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(C#N)cc1 155975305 NLVWCOZNCZFKDC-XJKSGUPXSA-N 270.376 3.599 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 159515982 UWRKBDSYYAZEGP-VIFPVBQESA-N 277.755 3.522 30 20 CHED C=CCCCCN1CCC([C@@H](O)c2ccccc2)CC1 827350891 XRXAITIOHNDVBK-SFHVURJKSA-N 273.420 3.788 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2cc(C)oc2C)c1 834902591 JXZPHXTULBVAPW-ZDUSSCGKSA-N 253.345 3.729 30 20 CHED C#CCCCCC(=O)N(C)[C@H](C)c1cc(F)ccc1F 119568141 QPGYUUNDWRYINY-GFCCVEGCSA-N 279.330 3.678 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(F)c1 130551838 UOHFERHLQAKWKC-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)CCO1 270816958 XRJQTHBCRHBBDX-GJZGRUSLSA-N 258.365 3.564 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc2ncccc12 44764754 ATKUNUNDKZYZFL-UHFFFAOYSA-N 267.332 3.503 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1ccc(C#N)cc1F 53899196 JFOKHILZSSNSRL-CYBMUJFWSA-N 268.335 3.890 30 20 CHED Cc1ccc(CN(C)c2ccc(C#N)cc2F)s1 301148881 IMZWDRUUZVNWLT-UHFFFAOYSA-N 260.337 3.704 30 20 CHED C=C(Br)CNC(C)(C)C1CCCCC1 308495868 DDESUXAZYSCTIP-UHFFFAOYSA-N 260.219 3.844 30 20 CHED CC(C)N(CCC#N)C(=O)Cc1ccc(Cl)cc1Cl 522236657 DDASRWWSRHRUEK-UHFFFAOYSA-N 299.201 3.687 30 20 CHED COc1ccc(CNc2cc(C)nc(C#N)c2)cc1Cl 342670334 FSGRYFBXFNEUDC-UHFFFAOYSA-N 287.750 3.536 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCC(C)(C)C1 361472589 ZIIKQHJCYRTLBS-CQSZACIVSA-N 260.356 3.708 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCc2ccc(OC)cc2C1 381148154 KYZDBJHFJWAKET-MRXNPFEDSA-N 273.420 3.744 30 20 CHED C#CCN(Cc1ccccc1)Cc1cc(C)nc(Cl)c1 809718533 VJNXLPTYYAOLGX-UHFFFAOYSA-N 284.790 3.679 30 20 CHED CC[C@@]1(C)CCN(c2c(C#N)cnc3ccccc23)C1 399432913 ZJVQBZZAHFVHTH-KRWDZBQOSA-N 265.360 3.733 30 20 CHED CC1CCC(=NNC(=S)Nc2ccccc2F)CC1 6298471 LTWNWCIULMCFLQ-UHFFFAOYSA-N 279.384 3.678 30 20 CHED Cc1cc(C)c(C(=O)COc2cccc(C#N)c2)cc1C 8491104 WRTGBSZCEJUVPM-UHFFFAOYSA-N 279.339 3.745 30 20 CHED CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C#N)cc1 14022396 NQKIJOHLDJRCRB-QGZVFWFLSA-N 294.354 3.663 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1 14202529 WVMUSEJMUFFHSJ-XBXARRHUSA-N 280.323 3.526 30 20 CHED Cc1ccc(CSCC(=O)Nc2ccc(C#N)cc2)cc1 28314301 WLIOUXXNFWNPCZ-UHFFFAOYSA-N 296.395 3.739 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(N(C)C)cc2)o1 33376233 XXURVONXIXWFJN-YFHOEESVSA-N 255.317 3.550 30 20 CHED N#Cc1cccc(CNc2cccc(-c3ccn[nH]3)c2)c1 37137268 KZTHUAHXIQKBNF-UHFFFAOYSA-N 274.327 3.560 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)C1(C#N)CCCCC1 44385247 LINCZYOOYSTGIE-HNNXBMFYSA-N 284.403 3.598 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(F)cc1C 45186310 DSYLVYDYPARLMS-UHFFFAOYSA-N 285.318 3.951 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccc(C(C)C)cc1 47380230 NTNFYIZKDPQIIS-JXMROGBWSA-N 268.360 3.748 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 48402710 HFPSAYOTPOPLTF-KPKJPENVSA-N 293.388 3.603 30 20 CHED C[C@H](NC(=O)C=C1CCCCC1)c1ccc(C#N)cc1 48934359 PQFJFOAFRWHBBN-ZDUSSCGKSA-N 268.360 3.626 30 20 CHED N#Cc1cc2c(nc1NCc1cccs1)CCCC2 49957036 DVTCFCXJEHYBFJ-UHFFFAOYSA-N 269.373 3.506 30 20 CHED Cc1cccc(C)c1NCc1ccc(C#N)cc1F 50499424 UUUSEMKYMFJOMF-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C(\C)C1CC1 55890960 GOXQEVUJWNFCPH-WYMLVPIESA-N 285.387 3.566 30 20 CHED COc1ccc(CN(C)c2cc(Cl)ccc2C#N)cc1 62789955 PTPQOKZCYPLOEG-UHFFFAOYSA-N 286.762 3.857 30 20 CHED N#Cc1ccc(Cl)cc1N1CCOc2ccccc2C1 63013074 QPZDKAPAWPJBKI-UHFFFAOYSA-N 284.746 3.611 30 20 CHED CC[C@H](C)[C@@H](C(=O)N(C)[C@@H](C)CC#N)c1ccccc1 63094027 IHDSVOAJHPNREU-OFQRWUPVSA-N 272.392 3.577 30 20 CHED C=C(Cl)CN(CCCCOC)Cc1ccccc1 67462240 FXXLANGSJJQSSW-UHFFFAOYSA-N 267.800 3.668 30 20 CHED CCc1c(C)sc(NC(=O)c2ccc(Cl)o2)c1C#N 68677859 CUUMOUVUWWNULV-UHFFFAOYSA-N 294.763 3.989 30 20 CHED CCc1oc2ccccc2c1CN(C)C[C@@H](C#N)CCC#N 70870042 XNQHXHLREOMIFU-CQSZACIVSA-N 295.386 3.871 30 20 CHED CCOc1cccc(/C=N/[C@@H](C)c2c(C)noc2C)c1O 72613697 HNQPQFPCPRQTPV-VJCPFXPRSA-N 288.347 3.576 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(O)c([N+](=O)[O-])c1 72614397 NSTGDVFBUKRRMY-HWKANZROSA-N 289.312 3.566 30 20 CHED Cc1cc(C)c2cc(C(=O)NC3(C#N)CCCCC3)[nH]c2c1 73597158 HAPXBFMFCXRHGO-UHFFFAOYSA-N 295.386 3.741 30 20 CHED CCCN(C)c1ccc(C(=O)Nc2ccccc2C#N)cc1 76709065 CPULSLJEIUXYJK-UHFFFAOYSA-N 293.370 3.657 30 20 CHED Cc1ccc(Sc2c(C#N)nnc3ccccc23)cc1 77165176 YMUZZVVIEFDVSW-UHFFFAOYSA-N 277.352 3.961 30 20 CHED C=CCOCCCC(=O)Nc1ccc(O[C@H](C)CC)cc1 79724644 NDUKZRCOEOBONM-CQSZACIVSA-N 291.391 3.785 30 20 CHED C=CCn1c(C)nnc1SCCCc1ccccc1C 84646339 QQTHSWQJSQLGQJ-UHFFFAOYSA-N 287.432 3.806 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N[C@@H](C#N)C(C)(C)C 85439946 DLSIZZRPLWDHNF-JSGCOSHPSA-N 264.413 3.647 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1ccc(Cl)cc1 87591710 AIITXLIVTKJLJI-NSHDSACASA-N 250.773 3.930 30 20 CHED CCC(CC)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 89632451 LVAIBYPSPOPVHJ-OAHLLOKOSA-N 290.407 3.654 30 20 CHED COc1cc2c(cc1Cl)C1=CC(=O)CC[C@]1(CCF)C2 91301758 RYQILFWZLKOHDP-INIZCTEOSA-N 294.753 3.997 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(OCC2CC2)cc1 98097625 CLQKJJSXDPXWEH-UHFFFAOYSA-N 298.367 3.661 30 20 CHED CCc1ccc(CN(CCCCC#N)C2CC2)cc1 102397278 MKSQXGWJBGVXMX-UHFFFAOYSA-N 256.393 3.907 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccccc2C)c1 103028677 LDTXWRUJHVQSSE-UHFFFAOYSA-N 263.340 3.643 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1nc(C)cs1 105503474 UPIOJTSLLSKCFZ-AWEZNQCLSA-N 271.389 3.564 30 20 CHED CC(C)(C)c1ncc(C(=O)Nc2ccc(C#N)cc2)s1 108987523 JSFYDZKBHGRPSQ-UHFFFAOYSA-N 285.372 3.565 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(C#N)cc2)cc1Cl 113068594 MBHZGTMVTPNEAX-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C=CCOc1ccc(CNCc2ccccn2)cc1Cl 113311794 PJTBYBGBUFUNSN-UHFFFAOYSA-N 288.778 3.590 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccnc2)c1 113952606 VTJRPCGJRLUUIL-RHSMWYFYSA-N 295.386 3.613 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 119839619 XKDRAYSZSRAAGH-IAGOWNOFSA-N 269.388 3.633 30 20 CHED CCC[C@@H](C(=O)N(C)c1cccc(C#N)c1)C(C)C 121488428 YCPOUYTWQYISQY-OAHLLOKOSA-N 258.365 3.593 30 20 CHED Cn1c([C@H](C#N)C(=O)CCC(C)(C)C)nc2ccccc21 121517416 OJDQTHVFAADZKD-GFCCVEGCSA-N 283.375 3.576 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCC1)c1cccc(Cl)c1Cl 121606506 QMHMZFFLBKXHMW-SECBINFHSA-N 297.185 3.864 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)CC(C)(C)OC)cc1 121962219 SJSWJNRSHGWALM-LSDHHAIUSA-N 289.419 3.553 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)c1cccnc1)c1ccccc1 123716058 PUKNRTOFEBXVEK-CABCVRRESA-N 280.371 3.619 30 20 CHED CCC(CC)CN(CC)C(=O)c1sccc1C#N 128083062 MDZVSRSROCBZNY-UHFFFAOYSA-N 264.394 3.518 30 20 CHED CCN(C[C@H](C)C#N)C(=O)Cc1cc(Cl)ccc1Cl 131815565 WXDWZTCILWYYIX-SNVBAGLBSA-N 299.201 3.544 30 20 CHED C=CCNc1ccc(C(=O)Nc2ccccc2)cc1 133140618 KSWDQZPTABNXFZ-UHFFFAOYSA-N 252.317 3.537 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@H]1CSc2ccccc21 135158470 SGEBIWNOQCPIAI-ZDUSSCGKSA-N 298.342 3.525 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(F)cc(Cl)c1 152959492 YMXCGHLYOBXEIS-UHFFFAOYSA-N 270.735 3.909 30 20 CHED CCOc1ccc(OC)cc1NCCCC(C)(C)C#N 153892075 JKRLNXIOXCKJEL-UHFFFAOYSA-N 276.380 3.836 30 20 CHED COc1cc(C#N)ccc1CSc1ccc(Cl)cn1 155006560 SHJAMXUBXQXHQB-UHFFFAOYSA-N 290.775 3.908 30 20 CHED N#CCOc1cc(F)ccc1N[C@H](C#N)C1CCCCC1 155444330 JWHCAZZJNAHICR-OAHLLOKOSA-N 287.338 3.612 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C 156266055 XCZINXWOCIFJEH-QWRGUYRKSA-N 291.782 3.721 30 20 CHED Cc1cccc(N[C@@H](CCC#N)c2ccccc2)n1 158139654 PQCXZIBQEJPNGM-HNNXBMFYSA-N 251.333 3.847 30 20 CHED COc1cc(Cl)ccc1CNc1nc(C)ccc1C#N 161348533 UAZUFUWFARJUQJ-UHFFFAOYSA-N 287.750 3.536 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(-c2ccccc2F)o1 162123072 ZKPIAEOVFSZHIC-MRXNPFEDSA-N 286.306 3.508 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(OC)cc1C 171309980 WNWMSDQZRYOZGL-UHFFFAOYSA-N 297.354 3.821 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1CCSc2ccc(F)cc21 172054177 HTCXCPYJYZWVEQ-MFKMUULPSA-N 294.395 3.626 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 172813834 ACOGYMVJKDDYQI-BJMVGYQFSA-N 297.310 3.637 30 20 CHED CSCCCSc1nc2c(cc1C#N)CCCC2 172914212 AVQPGGDWOSBVFT-UHFFFAOYSA-N 278.446 3.677 30 20 CHED C=CCNC(=O)CSCc1cc(Cl)ccc1Cl 173850016 VRMBZLCQSLSLLD-UHFFFAOYSA-N 290.215 3.529 30 20 CHED C=C(Br)CNC(=O)C[C@H](C)CCCCC 173854855 TVXCZOWDUKVYRH-SNVBAGLBSA-N 276.218 3.618 30 20 CHED C#CCNC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 173946567 KPMHUXNGSMFELM-CQSZACIVSA-N 292.382 3.708 30 20 CHED CCc1nc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cs1 174078161 OVYLMTKEEQWOHY-NWDGAFQWSA-N 285.416 3.989 30 20 CHED C#CCCCNC(=O)Nc1ccc(OCCC)c(Cl)c1 175352007 COMUZDJCZUSLPM-UHFFFAOYSA-N 294.782 3.664 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2)o1 175993542 WCFUSUUDCPDYFF-LLVKDONJSA-N 271.272 3.531 30 20 CHED COc1ccc([C@@H](C)[C@H](C)NCc2cccc(C#N)c2)cc1 177579446 RJLYITYLIVCXPE-GJZGRUSLSA-N 294.398 3.849 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1ncc(C)s1 177877977 LWGAPFOUEFULII-LBPRGKRZSA-N 268.426 3.989 30 20 CHED CCCc1cnc(NC(=O)CCc2ccc(C#N)cc2)s1 180244841 SGXVXACZKDRRIV-UHFFFAOYSA-N 299.399 3.539 30 20 CHED Cc1ccc(-c2ccc(C(=O)O[C@H](C#N)C3CC3)s2)o1 181686289 OIJHKIMXDMTIRB-GFCCVEGCSA-N 287.340 3.776 30 20 CHED COc1ccc(F)cc1CN[C@@H](C)c1cccc(C#N)c1 181987822 JUMQLEOKQZPLGS-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc(C#N)cc1F 182553603 YJJKUYNGQVZFDF-LBPRGKRZSA-N 295.317 3.600 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 182654197 AZNKWIJUMUFRHL-SNVBAGLBSA-N 286.297 3.575 30 20 CHED N#CCCN(Cc1ccc(C(F)F)cc1)CC1CC1 183954556 CTNSHVZXAYYBMW-UHFFFAOYSA-N 264.319 3.750 30 20 CHED C#CCC(C)(C)c1nc(-c2ccccc2Cl)no1 184870511 ISOAIJAAFLDEEX-UHFFFAOYSA-N 260.724 3.691 30 20 CHED CC#CCCCC(=O)NC[C@@H](c1ccccc1)C(C)C 185040485 ORKMDSZOBDTXCX-QGZVFWFLSA-N 271.404 3.736 30 20 CHED CC(C)c1ccc(C(=O)N[C@@](C)(C#N)C(C)C)s1 185511413 ZBWRAQKJSRODOA-AWEZNQCLSA-N 264.394 3.540 30 20 CHED N#C[C@H]1CCC[C@H](NCC2(c3ccccc3)CCC2)C1 185771654 BUMCPONOYZZMLX-RDJZCZTQSA-N 268.404 3.780 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 186823634 LJLYVYQHEUXDJF-QGTPRVQTSA-N 286.419 3.803 30 20 CHED CCO[C@H]1C[C@H](NCCCC(C)(C)C#N)C1(CC)CC 187041778 VNVQUOLZXVOTGS-GJZGRUSLSA-N 280.456 3.890 30 20 CHED C=CC[C@H](C(=O)N1Cc2ccccc2C1)c1ccccc1 187649245 UQVDBLIMZHVPQJ-SFHVURJKSA-N 277.367 3.889 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1cccc(F)c1F 188558631 HPNKUQCXFWMEDU-MEBBXXQBSA-N 267.319 3.744 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCCOc2cc(F)ccc21 188571600 OTMVWZIHPQAYRI-WMLDXEAASA-N 291.366 3.758 30 20 CHED CCCCCCCC[S@@](=O)Cc1cccc(OC)n1 190850648 SBUZRQPNOKILBX-LJQANCHMSA-N 283.437 3.699 30 20 CHED CCS[C@@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 192020867 QFWUNLNUNQZJQB-OAHLLOKOSA-N 292.423 3.805 30 20 CHED C=CC1CCN(C(=O)Nc2ncc(C(C)C)s2)CC1 192393736 VIXKBHIOTKBERE-UHFFFAOYSA-N 279.409 3.696 30 20 CHED Cc1cnn(-c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2F)c1 193266483 KZFKUFQUWHZUNE-ZIAGYGMSSA-N 298.365 3.814 30 20 CHED C[C@H](NCCCCC#N)c1cc(Br)cs1 194022726 XKJJSCWPQFYAHS-VIFPVBQESA-N 287.226 3.855 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccsc2)cc1 194615658 JTZLDLKZXMABLG-VMPITWQZSA-N 257.358 3.710 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc3scnc3c2)c1 195383727 ILIXTEKWICXHRX-UHFFFAOYSA-N 293.351 3.615 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 207949392 ZNDOTZYMWJUFAV-HMWXGYMHSA-N 284.403 3.806 30 20 CHED N#Cc1cccc(CNc2ccc(F)c(F)c2F)c1F 223729074 UNAGNRZMQXHHHC-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C=CCSCCNc1nc2ccccc2cc1C 225353476 XHUYHMJQBOROOP-UHFFFAOYSA-N 258.390 3.874 30 20 CHED COc1ccc(C(=O)/C=C\c2ccsc2)c(F)c1 229910082 OSPTYNUYPRTAQV-DJWKRKHSSA-N 262.305 3.792 30 20 CHED CC(C)(C#N)CCCCN1CCC(C(F)(F)F)CC1 232527532 VQEGBECMCUNIDQ-UHFFFAOYSA-N 276.346 3.981 30 20 CHED C=CCN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 246272794 RXSAOVNXHLTBMK-DLBZAZTESA-N 259.393 3.541 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(C(F)F)c2)c1 255330981 VHJAOCTUALDXKI-UHFFFAOYSA-N 292.241 3.989 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)s1)C2 255542989 PUXZKYFBLJIQAC-WQLSENKSSA-N 270.353 3.888 30 20 CHED Cc1ccc(OC(F)F)c(/C=C\C(=O)c2cccnc2)c1 255569900 AJHOEEMWCQHXAG-WAYWQWQTSA-N 289.281 3.888 30 20 CHED COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CC2 268811570 OBEYGNFIGLLSHI-ORAYPTAESA-N 292.382 3.905 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)c1ccc(CC#N)cc1 270203985 CTHLKKQBPJRZHM-GFCCVEGCSA-N 284.384 3.647 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2snc(Cl)c2C#N)CCO1 270803531 VAWYIHDVXZPIQE-WCBMZHEXSA-N 299.827 3.674 30 20 CHED C#CCCCN(C)[C@H](C)c1sc(C(C)C)nc1C 271061424 SODNQEOGJUXYPS-CYBMUJFWSA-N 264.438 3.981 30 20 CHED C=CCN(C(=O)c1cncc(-c2ccc(C)cc2)c1)C1CC1 271432336 RZOHUDCRPGXUNO-UHFFFAOYSA-N 292.382 3.848 30 20 CHED Cc1ccnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1C#N 274170410 MQYXEXVHBIHLRY-NVXWUHKLSA-N 293.370 3.594 30 20 CHED C#CCN(C)C(=O)Nc1ccc(SC(C)(C)C)cc1C 278523149 CUZZXPRVZLWECS-UHFFFAOYSA-N 290.432 3.983 30 20 CHED Cc1ccc2[nH]c(S[C@@H]3CC[C@@H](C#N)C3)nc2c1 278559468 MMXKJZFSWUYKTJ-GHMZBOCLSA-N 257.362 3.656 30 20 CHED COc1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1C 280083170 RMBAPRROXQWZPT-VOTSOKGWSA-N 284.359 3.677 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)cc1 280607953 JWOOGHQVFYJDBL-SAABIXHNSA-N 280.346 3.733 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@H](C)c2ccccc21 280662643 XMYKEOAMCRRNPK-NSHDSACASA-N 280.327 3.614 30 20 CHED Cc1nn(C(C)C)cc1CN(CCC#N)CCC(C)C 281803988 YMOBSSOAGOJQRU-UHFFFAOYSA-N 276.428 3.534 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1ccc(SC)cc1 281971885 SWJOJEKWUMHZQB-ZDUSSCGKSA-N 290.432 3.572 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C 284173599 KPBVHWHSQMFOEL-MGPQQGTHSA-N 284.359 3.518 30 20 CHED C=CCCCCCCNC(=O)Cc1csc(CC)n1 287058738 NDCBXMGQEIZCJA-UHFFFAOYSA-N 280.437 3.501 30 20 CHED CN(c1ccnc(C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 288827412 HXNHZAWRTGVHBN-KLPPZKSPSA-N 283.297 3.511 30 20 CHED CC[C@@](C)(C#N)c1nc(C(C)(C)c2ccccc2)no1 289034866 JPFZEPHQSOLJDU-INIZCTEOSA-N 269.348 3.587 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@H]1c1ccsc1 289651880 YKEIIQHCXXVPRU-KRWDZBQOSA-N 295.407 3.636 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccccc1Cl 292237122 NUBCWCKWSKYKKG-UHFFFAOYSA-N 265.784 3.901 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC1(F)F 294714859 USHOXPFGBDZIJZ-NXEZZACHSA-N 296.342 3.532 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1OCCF 296542861 XYZMNJQREZUZPI-UHFFFAOYSA-N 277.339 3.742 30 20 CHED N#CC1(CCCNc2ccc3cnccc3c2)CCOCC1 296874301 NZBOLUBMJQTWEU-UHFFFAOYSA-N 295.386 3.747 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccc(C(C)(F)F)cc1 297356776 ONEJAXKRRVJOLA-UHFFFAOYSA-N 294.345 3.682 30 20 CHED N#Cc1c(F)cccc1N[C@H](CCCO)c1ccccc1 301382004 YYRMHHOVNGGXGH-MRXNPFEDSA-N 284.334 3.623 30 20 CHED CC(C)CCOc1ccccc1CNc1ccc(C#N)nc1 301505894 ITLPAQOYTICUNS-UHFFFAOYSA-N 295.386 3.990 30 20 CHED N#Cc1nc(SCc2ccccc2)ccc1Cl 301541107 NZRTVGVFGDIXOE-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C=C(Br)CNc1ncc(C(C)C)s1 306434685 FIIOLMUBNVHQSR-UHFFFAOYSA-N 261.188 3.587 30 20 CHED C=CCCCCNc1cc(OC)c([N+](=O)[O-])cc1F 311626708 NJYWKSNIBHBXGN-UHFFFAOYSA-N 268.288 3.511 30 20 CHED Cc1nc(N(C)Cc2ccccc2Cl)ccc1C#N 311880138 VRJWWVQJXYFXKE-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C=CCCCCCCNCc1ccc(OC)c(C#N)c1 312424601 KWMLIIATIUGIEK-UHFFFAOYSA-N 272.392 3.793 30 20 CHED C[C@@H](/N=C(/O)Nc1scnc1C1CC1)C1CCCC1 328907502 CEVJJVFOGPNJAJ-SECBINFHSA-N 279.409 3.925 30 20 CHED OC(=Nc1nnc2ccccn12)[C@@H]1CCC[C@@H]2CCCC[C@H]21 328992178 IROFDTUBYMKKIT-BFHYXJOUSA-N 298.390 3.924 30 20 CHED Cc1ncc(N=C(O)[C@]2(C)CCc3ccccc3C2)cn1 329637654 VRBGCQBPJIJJNH-QGZVFWFLSA-N 281.359 3.568 30 20 CHED N#CC1(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 329759697 PEOWNNHERYYIIY-MELADBBJSA-N 260.381 3.996 30 20 CHED CC(C)c1occc1/C(O)=N/[C@@H](CO)CC1CCCC1 330444499 UZZRFVDCOQXMOY-CYBMUJFWSA-N 279.380 3.649 30 20 CHED Cc1cc([C@@H](C#N)C(=O)c2cc(C(C)C)oc2C)nc(C)n1 330616118 UVHBPKXKVNHUBV-CQSZACIVSA-N 297.358 3.608 30 20 CHED Cc1nc(C(=O)N(C)c2ccccc2C(C)C)ccc1C#N 334177269 AMLGNJOITASOGA-UHFFFAOYSA-N 293.370 3.662 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C#N)s1 336100578 UGIXLEDXGZJSDQ-TZMCWYRMSA-N 296.395 3.638 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)c(Cl)cc1F 336296324 KFIGGBXEHLDRRW-QTTZVWFDSA-N 287.121 3.621 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccc(C#N)s2)cc1 336366993 FHBTXYYTMYOCDZ-UHFFFAOYSA-N 295.367 3.673 30 20 CHED CCCC1(CNC(=O)c2cccc(C#N)c2C)CCC1 337968584 IGSQSTFFYFFWHW-UHFFFAOYSA-N 270.376 3.567 30 20 CHED C[C@@H](Cc1cccs1)Nc1ncc(C#N)cc1Cl 339137009 OZRNMTQLVGBKIH-VIFPVBQESA-N 277.780 3.711 30 20 CHED N#CCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1 342654847 NRSNFSYCRYTDPR-UHFFFAOYSA-N 288.347 3.588 30 20 CHED Cc1nsc(N[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1C#N 343045848 ORBVJHUVVWJDMU-DGCLKSJQSA-N 289.791 3.945 30 20 CHED N#Cc1ccc(CNCc2ccc(-c3ccccc3)o2)o1 343443350 HRYXIQITVCDQAG-UHFFFAOYSA-N 278.311 3.701 30 20 CHED C=CC[C@H]1N(C(=O)c2cn3ccccc3n2)CCCC1(C)C 347420873 DIMSJXVJFVHVMF-OAHLLOKOSA-N 297.402 3.541 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cc2ccccc2s1 348187836 PZDZVTLKHZYGCP-NSHDSACASA-N 256.374 3.856 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(F)c(C)c1 348964060 KQAMXFSRNYYONZ-UHFFFAOYSA-N 283.346 3.963 30 20 CHED C[C@H](CC1CCOCC1)CN(CCC#N)CC(C)(C)C 349964647 JYBAVYZCWRQXAG-OAHLLOKOSA-N 280.456 3.701 30 20 CHED C=CCC[C@@H](O)CN(C1CC1)[C@H](C)c1ccccc1 352837460 FJJRQARJXJBERX-RHSMWYFYSA-N 259.393 3.539 30 20 CHED N#Cc1ccncc1NCCc1c(Cl)cccc1Cl 354561662 NVXLARDGWKVAAB-UHFFFAOYSA-N 292.169 3.915 30 20 CHED Cc1cc(C)c2nc(NC(=O)CCCC#N)sc2c1 359923568 LGSAHHRDBBWVNP-UHFFFAOYSA-N 273.361 3.546 30 20 CHED N#CCc1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1 399000993 CBVYPBKZCIKQKI-LJQANCHMSA-N 276.383 3.742 30 20 CHED C=CC[C@H](CC)NC(=O)CSc1ccc(C)cc1C 410135894 PNIITTIQIABUTK-AWEZNQCLSA-N 277.433 3.866 30 20 CHED C=CC[C@H](CC)NC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 410143489 CPBAIHKUXFOVPC-HNNXBMFYSA-N 297.402 3.778 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1csc2cc(C)ccc12 410835592 OJZXIZFPIFOQRC-GFCCVEGCSA-N 286.400 3.974 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1cnc(C#N)c(Cl)c1 411029468 HZLNGDDCFOOANL-SNVBAGLBSA-N 291.782 3.762 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@H](Oc2ccccc2)C1 412713873 SOFTZMLAVVKNMP-FUHWJXTLSA-N 287.403 3.659 30 20 CHED CCC[C@@H](NC(=O)[C@H](C)SCCC#N)c1ccccc1 413016597 WMTNZCFUNBUQMB-DZGCQCFKSA-N 290.432 3.679 30 20 CHED C=CCCCCNC(=O)NC[C@@H](CC)CC(F)(F)F 413447470 FJPLLWHURQWBPX-NSHDSACASA-N 280.334 3.621 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC2(CC2)C1 413839497 UJLYJIOJYVNIOP-QGZVFWFLSA-N 298.430 3.759 30 20 CHED C=CCCCC(=O)N1CCCc2c(F)c(F)cc(F)c21 416027487 LOTRRTVNDVJJTD-UHFFFAOYSA-N 283.293 3.739 30 20 CHED CC1(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCCC1 419451440 CWIVHYPFOJTNNB-INIZCTEOSA-N 297.402 3.568 30 20 CHED Cc1ncsc1CCN(C)[C@H](C)c1cccc(C#N)c1 425529354 BGHWLEUEKYMQRT-CYBMUJFWSA-N 285.416 3.559 30 20 CHED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1(CC#N)CC1 430765765 VVBPJESEAHYIIF-LBPRGKRZSA-N 296.336 3.920 30 20 CHED Cc1nc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2s1 431193229 NPMRHAIODREBCT-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C(=O)NCC1(CC#N)CC1 431196134 KHNNOKUQNRACGG-MRXNPFEDSA-N 299.418 3.719 30 20 CHED C=CCC[C@H](NC(=O)N1C[C@H](C)[C@@H](C)C1)c1ccccc1 435108261 LAWZRRYHEORNTG-ZOBUZTSGSA-N 286.419 3.991 30 20 CHED COC1CCC(CCNCc2ccc(C#N)c(C)c2)CC1 444001489 KUGGLQOBTCDFIG-UHFFFAOYSA-N 286.419 3.552 30 20 CHED CC1(C)CCCN(Cc2ccc(C#N)cc2Cl)[C@H]1C#N 444732026 VWDABUODBUADGM-HNNXBMFYSA-N 287.794 3.726 30 20 CHED CC[C@@H](NCCc1ccc(F)cc1)c1ccc(C#N)cc1 447519752 ZJOORYIEHALSHQ-GOSISDBHSA-N 282.362 3.981 30 20 CHED CC[C@H](N[C@@H]1[C@H](C)[C@H](OC)C1(C)C)c1ccc(C#N)cc1 447581567 VFLKYKXWISUSNL-SJWGOKEGSA-N 286.419 3.658 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 448572630 MSMWSOLOZBVUOM-HXPMCKFVSA-N 288.350 3.746 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@H]1C)c1ccc(Cl)cc1Cl 448577890 DUAFAUQLUPMMHH-TVLCNXBWSA-N 297.185 3.720 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1 448609389 XZTJOCLAVLHRAF-UHFFFAOYSA-N 257.255 3.856 30 20 CHED C=CC(C)(C)CN[C@@H]1CCC[C@H](CCCC(=O)OC)C1 449483410 AHAARCJSCXRMQK-HUUCEWRRSA-N 281.440 3.690 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC1CC(F)(F)C1 449523984 MWDYEKBNOYVHSG-UHFFFAOYSA-N 279.330 3.637 30 20 CHED C=CCC1(C(=O)N2CC[C@H](C3CC3)C2)CCCCC1 450318236 VHZBVDAKPGKDRA-HNNXBMFYSA-N 261.409 3.772 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccc(Br)cc1 450659344 HHLWFPLGVJWXQL-LLVKDONJSA-N 293.208 3.794 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCOC3(CCC3)C2)c1 450721023 VHISCXQDFJOGMN-CQSZACIVSA-N 298.386 3.522 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)[C@]3(C#N)C[C@@H]3C)C2)cc1 451709669 KRWOFFWCXKXUEO-YJLNNSPDSA-N 296.414 3.505 30 20 CHED CO[C@@H]1C[C@@H](N(C)CCCCC(C)(C)C#N)C12CCC2 451865358 KFGLUYJAPOLZJP-HUUCEWRRSA-N 278.440 3.596 30 20 CHED C=CC(C)(C)c1nc(-c2cccc(C(F)(F)F)n2)no1 453123214 QYDWPYSVAGVYFF-UHFFFAOYSA-N 283.253 3.614 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OCC2CC2)cc1 454798298 RTWKTRFZFQKFEY-UHFFFAOYSA-N 274.364 3.563 30 20 CHED C=CCC1(NC(=O)Cc2cccc(F)c2)CCCCC1 456369598 BTUQSDXWQCITIC-UHFFFAOYSA-N 275.367 3.763 30 20 CHED C=CCCCNC(=O)N1[C@@H](C)C[C@H](CC(F)(F)F)[C@H]1C 458719438 IGMNEGNYMFSHKU-QJPTWQEYSA-N 292.345 3.714 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](c1ccccc1)C(C)C 459008148 SZPUPQDTHDGGPH-INIZCTEOSA-N 274.408 3.991 30 20 CHED Cc1cc(CN[C@H](C)c2nc3c(s2)CCC3)ccc1C#N 459637506 XLIYUBWPBZKLIU-GFCCVEGCSA-N 297.427 3.663 30 20 CHED CC#CCCOc1ccc(Br)cc1C(=O)CC 462367323 LJOPHSHPTACGIP-UHFFFAOYSA-N 295.176 3.834 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 465119435 HFRGAFMPXYTVCL-CABCVRRESA-N 295.382 3.812 30 20 CHED N#Cc1cccc(CCNC/C=C/c2ccc(F)cc2F)c1 466413660 DCKJUVBRYSNMJS-GORDUTHDSA-N 298.336 3.682 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CNCCc1cccc(C#N)c1 466426587 VHGKEEVAAFRWCT-CRAIPNDOSA-N 268.404 3.683 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cncc(CC)c2)c1 469043639 OCHLNPZUBNMGRB-UHFFFAOYSA-N 296.370 3.851 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(OCCC)cc1OCCC 469586348 DPMMMXCTVYCMJC-ZDUSSCGKSA-N 291.391 3.569 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(Cl)c(F)c1 470288265 JHLDIZWHTOZGET-HNQUOIGGSA-N 258.683 3.916 30 20 CHED C=CCOCCCN1CCC[C@@H](c2ccc(F)cc2)CC1 470773951 QNWXSYHDXOBULB-MRXNPFEDSA-N 291.410 3.988 30 20 CHED C=CCC[C@H](O)CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 472588113 CMVALAIESZONAN-XOKHGSTOSA-N 277.383 3.536 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1cc2cccc(F)c2o1 475694592 NISXMOVBSXTQHC-YPMHNXCESA-N 277.339 3.550 30 20 CHED CC#CCCNC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 482780234 ZZOMPFJGIVZHIL-INIZCTEOSA-N 286.419 3.877 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)C1CCC(CCC)CC1 483088292 MGJFUNHVPSDTAN-FHERZECASA-N 281.440 3.785 30 20 CHED Cc1nnc(S[C@H](C#N)C2CCCCC2)n1C(C)C 488236824 UIJCSGDAZDXZQM-CYBMUJFWSA-N 278.425 3.732 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(C)c1 488325371 WELGBAGAZVYRIW-CYBMUJFWSA-N 262.328 3.707 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc2nccn12)c1ccccc1 489011396 LZHJIXJCHOMPSX-OAHLLOKOSA-N 291.354 3.633 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1ccccc1F 490055447 CHRZBBRHMXQCDI-ZDUSSCGKSA-N 277.383 3.723 30 20 CHED N#Cc1ccc(CN2CCc3ccc(Cl)cc32)s1 507716739 FORFBDQTIZCGDO-UHFFFAOYSA-N 274.776 3.836 30 20 CHED Cc1c(C#N)cccc1-c1nc(-c2ccc(F)cc2)no1 511243789 XIHXWXIOVYDUPH-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C=CC1CCN(C(=O)NCC[C@@H]2CCCC[C@@H]2C)CC1 512111892 BQJSGONPAJPCIA-HOCLYGCPSA-N 278.440 3.810 30 20 CHED C=CC[C@H](CC)NC(=O)COc1ccccc1C(C)C 518474697 QSNLCIZYKFCODU-AWEZNQCLSA-N 275.392 3.660 30 20 CHED C[C@H]1CC(Nc2cccc(Cl)c2C#N)C[C@H](C)O1 519521379 DECKWLLAZROTDK-UWVGGRQHSA-N 264.756 3.580 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc(C2CC2)nc2ccccc12 524023437 SVEVLUTTWHSOPL-ZDUSSCGKSA-N 293.370 3.534 30 20 CHED CC(C)C(C)(C)CNC(=O)c1ccc(Cl)c(C#N)c1 526099395 VAKLZGWHYKWQAA-UHFFFAOYSA-N 278.783 3.624 30 20 CHED CC#CCNC(=O)C[C@H](Cc1ccccc1)c1ccccc1 534998006 NYSRQIHYRCKPDA-IBGZPJMESA-N 291.394 3.543 30 20 CHED C=C[C@H](CC(=O)Nc1nc2c(s1)CCC2)c1ccccc1 536164491 CPJARNXISRDCFL-GFCCVEGCSA-N 298.411 3.930 30 20 CHED C=C(CC)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 538012115 KVMYHOVNGAESMX-UHFFFAOYSA-N 293.357 3.826 30 20 CHED CC(C)(C)c1ccccc1OCCNc1cnccc1C#N 539860962 SRQPRLXHIRRBBW-UHFFFAOYSA-N 295.386 3.742 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1C)C1CC1 540134675 OGVTYJGCTJNDEB-LBPRGKRZSA-N 293.794 3.593 30 20 CHED CC[C@@](C)(NCc1cccc(C#N)c1F)C(F)(F)F 540295737 RTYQBLANERWQKX-GFCCVEGCSA-N 274.261 3.518 30 20 CHED C=CCN(CCCC(=O)OC(C)(C)C)Cc1cccs1 544070890 NNRXSECHSDFINT-UHFFFAOYSA-N 295.448 3.858 30 20 CHED C=C[C@H](Cc1nc(CCC2CC2)no1)c1ccccc1 547237481 VAWCOMHUYUEKSR-CQSZACIVSA-N 268.360 3.925 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCc2ccc(C#N)cc21 551242250 YYDHGBOBJMZFHI-MRXNPFEDSA-N 254.377 3.737 30 20 CHED C=CCC(C)(C)CN[C@H]1CCc2cc(OC)c(OC)cc21 556218113 PVEXWGJJKSKOBU-HNNXBMFYSA-N 289.419 3.883 30 20 CHED N#Cc1ccc(N2CC[C@H](c3cccc(F)c3)C2)c(F)c1 557015117 CSIBLMUCKGUYAB-AWEZNQCLSA-N 284.309 3.830 30 20 CHED Cc1nsc(Oc2ccc(Cl)c(F)c2)c1C#N 558020343 FLFWOZKAQBIAFP-UHFFFAOYSA-N 268.700 3.908 30 20 CHED C=CCCC1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 561859270 GXFSDLMJQGFGEM-UHFFFAOYSA-N 285.303 3.643 30 20 CHED CCCOC1(CNCc2cc(C#N)cs2)CCCCC1 564318079 WACCCGUXJHYBRX-UHFFFAOYSA-N 292.448 3.839 30 20 CHED CC(C)CC[C@@H](O)CNc1ccccc1SCCC#N 564444821 WJOSASGZLSHYNZ-CQSZACIVSA-N 292.448 3.901 30 20 CHED CCOc1cccc(Cl)c1CN[C@H](CC)CC#N 565175508 VQOQUWMIBXTERA-LLVKDONJSA-N 266.772 3.521 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C 565807137 OEEUUVZEFUSWBP-ACJLOTCBSA-N 297.377 3.801 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cccc(C)c1C 568543718 QSRPWEHCZLFHSO-KRWDZBQOSA-N 259.393 3.864 30 20 CHED CC#CCCCc1nc(-c2ccccc2COCC)no1 572761540 SMPJAYWBGSFBBF-UHFFFAOYSA-N 284.359 3.619 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@@H](F)C1)c1ccccc1 577120056 UUKMTOCIPBFWDD-CVEARBPZSA-N 275.367 3.697 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 581825650 FJQLNLIRKKLKJO-UKPHBRMFSA-N 257.377 3.808 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2cccc(F)c2)no1 582510905 GDLOWCOILHDRTG-HNNXBMFYSA-N 260.312 3.653 30 20 CHED COc1cc(CN[C@H](C)[C@@H](C)c2ccccc2)ccc1C#N 583535368 HLJOUHWKHBJKKE-HUUCEWRRSA-N 294.398 3.849 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1cc2ccccc2o1 584755038 OTAUUFJOHWUTCB-IBGZPJMESA-N 275.373 3.621 30 20 CHED N#Cc1ccc2nc(N3CCC4(CCC4)CC3)ccc2c1 588075857 NXKOIYVZWLFYPI-UHFFFAOYSA-N 277.371 3.877 30 20 CHED Cc1ccc(/C=C\C(=O)c2sccc2O)s1 588495736 GGFXBAHENIPGHG-PLNGDYQASA-N 250.344 3.720 30 20 CHED C[C@]1(NC(=O)CCCCCC#N)CCCc2ccccc21 588907242 ROEZKUPVLRYUGY-SFHVURJKSA-N 284.403 3.828 30 20 CHED CC[C@H](c1ccncc1)N(CC)C(=O)CCCCCC#N 588931973 QTKWQVKZKVRVRJ-MRXNPFEDSA-N 287.407 3.855 30 20 CHED CC[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CCO1 590647085 QKHASSAEXHHJMD-ZACQAIPSSA-N 272.392 3.579 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)Cc1cccc(C#N)c1 590771152 LCYCHJQFAGKWQT-GOSISDBHSA-N 284.403 3.528 30 20 CHED Cc1cnc(OC(C)C)c(NC(=O)CCCCCC#N)c1 590773372 YAHHDVSZEBBNFK-UHFFFAOYSA-N 289.379 3.590 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCC1CC1 591316420 PXOBODILBVNHGQ-KRWDZBQOSA-N 282.387 3.632 30 20 CHED Cc1ccccc1C1(NC(=O)NCC(C)(C)CCC#N)CC1 592022164 UHJQGKBYFJUZSE-UHFFFAOYSA-N 299.418 3.613 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(CC)CCSC 592413993 FQTZTQCBEKNXSL-ZDUSSCGKSA-N 296.484 3.557 30 20 CHED CCCCCC(=O)N(CC#N)c1ccc(Cl)cc1 592649296 BRVNUTOQRGFAIE-UHFFFAOYSA-N 264.756 3.777 30 20 CHED CCCC(C)(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 593174730 MQFLPISIKSOOPA-INIZCTEOSA-N 284.403 3.878 30 20 CHED CC[C@H](C)CCCCC(=O)N(C)c1ccc(C#N)nc1 593276973 NXQDYEBKSHOSNS-ZDUSSCGKSA-N 273.380 3.523 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 593388786 LTLPETZGHNZOLR-DTWKUNHWSA-N 285.174 3.720 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(Cl)c1OC(C)C 593482931 VNEWPUMPQNQZJQ-JTQLQIEISA-N 280.755 3.615 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCC[C@H]1c1ccc(C)cc1 593485020 ULAWIOPUJWJWQA-HOCLYGCPSA-N 270.376 3.598 30 20 CHED CC[C@@H](CC#N)NC(=O)CCc1c(Cl)cccc1Cl 594340478 RNTNZNCQWKNIGN-JTQLQIEISA-N 299.201 3.734 30 20 CHED C[C@]1(C#N)CCCN(CC[C@@H]2CCc3ccccc32)C1 595427200 SLVJEBXNUYQCGM-FUHWJXTLSA-N 268.404 3.732 30 20 CHED CC(C)O[C@@H](CN1CCC[C@@H](CC#N)C1)c1ccccc1 595622819 DOSMCFAMIOCMTB-WMZOPIPTSA-N 286.419 3.778 30 20 CHED CCN(C(=O)Cc1occc1C)[C@H](C)c1ccc(C#N)cc1 596906294 TUZFVMFDYNAZJS-CQSZACIVSA-N 296.370 3.612 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)CC1(C#N)CCCCC1 597262947 QASRCCVVPOPUOW-HNNXBMFYSA-N 276.424 3.888 30 20 CHED CSc1cc(C(=O)N[C@H](C#N)C2CCCCC2)c(C)o1 597342927 SOJRRUONHGFVLI-CYBMUJFWSA-N 292.404 3.512 30 20 CHED C=CCCSCCNC(=O)C(C)(C)c1cccc(F)c1 597968033 MAMSYQHLOXPIDV-UHFFFAOYSA-N 295.423 3.529 30 20 CHED C=CC[C@H](C(=O)NCC1(SCC)CC1)c1ccccc1 598329736 OVCDXHKSAPCICW-HNNXBMFYSA-N 289.444 3.748 30 20 CHED CCC(C#N)(CC)C(=O)NCCc1cccc2ccccc12 599057292 BQMVRJXQEIREDN-UHFFFAOYSA-N 294.398 3.828 30 20 CHED CCC(C#N)(CC)c1nc(C2(c3ccncc3)CCC2)no1 599167461 GTNCNFSKLBWLIJ-UHFFFAOYSA-N 296.374 3.516 30 20 CHED COc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cccc(C#N)c1 601267009 SQTOKBXXTUXOLV-BFUOFWGJSA-N 292.382 3.905 30 20 CHED C[C@@H](CCC#N)CNc1cnn([C@H](C)c2ccccc2)c1 602698671 DZGQPOBAXZYZPD-LSDHHAIUSA-N 282.391 3.844 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H](C)C[C@@H]2C)c1 607202485 YQSSJTYOPKXLPM-OLZOCXBDSA-N 274.364 3.514 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1C[C@@H]1C1CCCCC1 607594004 PFQPFIMWYDYHIY-SJORKVTESA-N 299.414 3.950 30 20 CHED C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)c1ccco1 610171173 IEKQRYBWKBQZRU-ZDUSSCGKSA-N 298.342 3.704 30 20 CHED Cc1ccc(CN(CCCC(C)(C)C#N)C2CC2)o1 610447417 FANGXJNSOPBFIE-UHFFFAOYSA-N 260.381 3.882 30 20 CHED Cc1ccc(C)c(OCCN[C@H](C)c2cccc(C#N)c2)c1 611386002 AHQZEVDBOMBBPP-MRXNPFEDSA-N 294.398 3.905 30 20 CHED C=C(C)[C@H](CC(=O)Nc1nccc2ccccc12)OCC 615885598 ZCBZHKMYOHKCRZ-HNNXBMFYSA-N 284.359 3.545 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](C2CCCCC2)C1 618186650 PWDSMPBSJDNOQZ-WMZOPIPTSA-N 293.451 3.644 30 20 CHED C=C[C@H](Nc1ccc2nc(C(C)C)sc2c1)C(=O)OC 619700791 MDMOPHLBVUJXPG-NSHDSACASA-N 290.388 3.559 30 20 CHED CC1(C(=O)CSc2ccc(Cl)cc2C#N)CC1 634535823 FFEIREPWIUCMNY-UHFFFAOYSA-N 265.765 3.673 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCCCCC 643211421 IZNNCRBOPKZHRH-UHFFFAOYSA-N 266.410 3.636 30 20 CHED C=CCC(C)(C)CNC(=O)CCCOc1ccc(C)cc1 644961022 RRZWAEWTBDAKOH-UHFFFAOYSA-N 289.419 3.873 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 644963856 DBPWFHMOJJOLND-WDEREUQCSA-N 277.330 3.778 30 20 CHED C=CCC[C@@H](NCc1ccc(CN)cc1F)c1ccco1 650754204 CXDDWJZASNIWGH-MRXNPFEDSA-N 288.366 3.675 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCCc2sccc2C)C1 660984066 GNNMCPWBLPVHQL-AWEZNQCLSA-N 292.448 3.597 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CCCC(F)(F)C1 664478367 SGMLOHWAAFDNPD-NSHDSACASA-N 274.355 3.608 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2F)C1 665172322 FVVCPDCVQPMKCZ-CYBMUJFWSA-N 276.355 3.954 30 20 CHED C=CCC[C@H](O)CN(C)Cc1ccc(Cl)cc1Cl 675485622 CEOCPOMRYPFWQZ-ZDUSSCGKSA-N 288.218 3.752 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(-c2ccccc2)[nH]1 682386344 SSMJREUKYNLJIC-INIZCTEOSA-N 269.348 3.618 30 20 CHED CC(C)(C)SCC/N=C\c1cc(Cl)ccc1O 727265311 OSJJNQQRLGFCCY-DHDCSXOGSA-N 271.813 3.996 30 20 CHED CC1(C)Cc2cc(C=NNc3ccccc3)ccc2O1 729141381 ZYUAQEXPUKAOGZ-UHFFFAOYSA-N 266.344 3.846 30 20 CHED Cc1cc(/C=C2\Cc3ccccc3C2=O)ccc1F 729148983 GLVMHGKTMNGTRU-NTEUORMPSA-N 252.288 3.957 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1csc(C(=O)O)c1 730149507 XVNDKPVTUKJACN-SNAWJCMRSA-N 294.278 3.621 30 20 CHED CC1(C/N=C/c2cc3ccccc3nc2O)CCCC1 731155665 OIIDJBNMCWNSNX-WOJGMQOQSA-N 268.360 3.940 30 20 CHED Fc1ccc2c(c1)C(=NOCc1ccccc1)CCO2 731558594 BKOHAZWLSSVHCZ-UHFFFAOYSA-N 271.291 3.529 30 20 CHED Cc1ccc(C=NOCCCOc2ccc(C#N)cc2)cc1 732193747 ILCMJQYJWZAKKE-UHFFFAOYSA-N 294.354 3.686 30 20 CHED C#Cc1cccc(NC(=O)NCc2coc3ccccc23)c1 734059533 BKFUUCSTGXDPCK-UHFFFAOYSA-N 290.322 3.736 30 20 CHED COc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 734302330 ARWOQTMKACTHEV-UHFFFAOYSA-N 280.249 3.559 30 20 CHED COc1cccc(F)c1C(C)=NNc1ccc(C#N)cc1 741807286 YLUBVVKQUGTMSV-UHFFFAOYSA-N 283.306 3.542 30 20 CHED CC(C)(CC(=O)OCc1ccccc1C#N)c1ccccc1 743079768 VQXSWGSQMYYMSF-UHFFFAOYSA-N 293.366 3.969 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1cccn1C 743543870 LSERISPNCGRPDC-OAHLLOKOSA-N 293.455 3.821 30 20 CHED CCC(=NN=C(C)c1cnccn1)c1ccc(CC)cc1 745206825 RBYHBVNBGQATES-UHFFFAOYSA-N 280.375 3.662 30 20 CHED CO[C@H](C/N=C\c1cc(Cl)cc(Cl)c1O)C(C)C 745976862 OFZFKXWMFFEVDR-SRWYSLEYSA-N 290.190 3.789 30 20 CHED C(=NOCc1cccnc1)c1ccc2ccccc2c1 746588742 RMUBGPHTFYDXCY-UHFFFAOYSA-N 262.312 3.786 30 20 CHED CCCCCCCC(=O)NCc1nc2c(s1)CCCC2 747131224 UBJRABLXMJLXCW-UHFFFAOYSA-N 294.464 3.999 30 20 CHED Cc1cc(NC(=O)c2ccccc2SCC#N)ccc1O 748220568 QSHPCQXDQBYEBV-UHFFFAOYSA-N 298.367 3.569 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N[C@](C)(C#N)C(C)C)cc1C 749605915 FHMUOZNBPSSFQZ-LKGOPFMKSA-N 284.403 3.680 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)C3CCCC3)[nH]c12 750712570 LICYXNGJPSJQRG-TZMCWYRMSA-N 295.386 3.874 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)co1 752884315 FOSNQGFZHZEWTA-SREVYHEPSA-N 286.287 3.602 30 20 CHED C[C@@H]1CC/C(=C\C(=O)O[C@H](C)c2cccc(C#N)c2)C1 753808001 XJGYVBJLPTTYCV-HUPKAIDTSA-N 269.344 3.909 30 20 CHED Cc1ccccc1NC(=S)NN=CC(C)(C)CCC#N 755497652 NOUVSGAUCORZTM-UHFFFAOYSA-N 288.420 3.597 30 20 CHED CCCCCC=Nn1c(S)nnc1-c1ccc(C)cc1 755512701 SBYDSBLKBKMHFY-UHFFFAOYSA-N 288.420 3.956 30 20 CHED Clc1ccc(Cl)c(NN=CC2CCOCC2)c1 755754459 YILUREAEUXFUFH-UHFFFAOYSA-N 273.163 3.818 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)C1CCOCC1 755889143 TVLOYBHYTZOYOC-UHFFFAOYSA-N 288.178 3.603 30 20 CHED N#Cc1cccc(NN=Cc2ccc(F)c3cccnc23)c1 759193095 BMRYFRZKWXMKFO-UHFFFAOYSA-N 290.301 3.692 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(Cl)s2)c1 759209224 CHSGSGZTGWQKSS-UHFFFAOYSA-N 284.743 3.995 30 20 CHED Clc1scc(C=NO[C@@H]2CCCCO2)c1Cl 761827490 FMAVALYEGZSWOG-MRVPVSSYSA-N 280.176 3.932 30 20 CHED C=CCN(C(=O)Nc1ccc(C(F)(F)F)nc1)C(C)C 761900936 ALEKQHNJPMIHSY-UHFFFAOYSA-N 287.285 3.529 30 20 CHED C#CCCc1noc([C@H]2C[C@@H]2c2cccc(Cl)c2)n1 762011584 MYQJMPOKMMNHGJ-OLZOCXBDSA-N 272.735 3.560 30 20 CHED Cc1ccc(N(C)C(=O)[C@@H](C#N)CCc2ccccc2)cc1 764472793 NOBKBZYLBWFPLO-QGZVFWFLSA-N 292.382 3.730 30 20 CHED CC(Cc1nc2ccccc2s1)=NOCC(F)(F)F 764836589 XJMXSGSSAPPUDY-UHFFFAOYSA-N 288.294 3.794 30 20 CHED C/C=C(/C=C\C(=O)N(CCC#N)c1ccc(F)cc1)CC 765456961 WCKPAGQMAFEGDE-WHOANVTKSA-N 286.350 3.985 30 20 CHED C#CCCCN1CCCC[C@@H]1c1nc2ccccc2n1C 766916085 BHNRPCMERLEANE-QGZVFWFLSA-N 281.403 3.514 30 20 CHED CCC1(C)CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 769232839 ODPYPKZYIZHSDV-OAHLLOKOSA-N 286.419 3.990 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C(C)C)cc2O)c1 769763597 YBZWTCJMNLJZBJ-UHFFFAOYSA-N 293.366 3.774 30 20 CHED O=[N+]([O-])c1cc(NN=C2CCCCCC2)ccc1F 769822961 PZGSJNSEFZKVHD-UHFFFAOYSA-N 265.288 3.856 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1ccc[nH]1 769827172 QIWVNKYLHKAXBX-UHFFFAOYSA-N 251.692 3.643 30 20 CHED CCCCCCCC(=O)NCc1cc(F)cc(OC)c1 770182872 XYSGYZWPZIIZHU-UHFFFAOYSA-N 281.371 3.811 30 20 CHED CC(=NNCC(C)C)c1ccc2cc(O)ccc2c1 771566861 KVROHTJYZFLJNH-UHFFFAOYSA-N 256.349 3.515 30 20 CHED C#CCCOc1ccc(CNc2ccc(SC)nc2)cc1 772948602 WCBJRWCICXOSPF-UHFFFAOYSA-N 298.411 3.818 30 20 CHED CC(C)c1nccnc1NN=C1c2ccccc2C[C@H]1C 773079424 ZHGOTBDZXWDWRC-GFCCVEGCSA-N 280.375 3.608 30 20 CHED C#CCCCCC(=O)OCc1cccc(OC(F)F)c1 773642614 FGAUVTQVVMWGDJ-UHFFFAOYSA-N 282.286 3.525 30 20 CHED CCCC(CCc1ccccc1)=NOC1CCOCC1 774429195 AMRGAKQUNBDKAW-UHFFFAOYSA-N 275.392 3.971 30 20 CHED C#C[C@@H](C)N(C)C[C@@H](C)c1cccc(Br)c1 775180108 VFVHLQQMPKMFLR-VXGBXAGGSA-N 280.209 3.506 30 20 CHED C=C(C)CCN(C)Cc1cc([N+](=O)[O-])ccc1Cl 775621750 WMUYJEIEIWYMKX-UHFFFAOYSA-N 268.744 3.646 30 20 CHED CCCCCCCCCCN1CCc2nnc(O)cc2C1 775777746 RJCBLXRMNOKBJG-UHFFFAOYSA-N 291.439 3.681 30 20 CHED CSc1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1 776112482 VNJQWJGETJJVPB-UHFFFAOYSA-N 297.379 3.832 30 20 CHED COC(=O)c1ccccc1NN=Cc1cscc1Cl 776187023 DEDGCPLLRHWUMB-UHFFFAOYSA-N 294.763 3.634 30 20 CHED CSc1ccccc1CC(=O)OCc1cccc(C#N)c1 777171019 VMTVBSJIQPYUIF-UHFFFAOYSA-N 297.379 3.566 30 20 CHED CC(=NNc1ccccc1OC(F)(F)F)[C@H]1CCCO1 777453064 KUYNLBMIDMRLQJ-LLVKDONJSA-N 288.269 3.552 30 20 CHED CC(C)(C)Sc1cc(C(=O)OC2(C#N)CCC2)ccn1 779221304 BGLHUECANHTHSV-UHFFFAOYSA-N 290.388 3.575 30 20 CHED C#CCCCCCC(=O)NC(C)(C)c1ccc(F)cc1 779915882 PUTHTIVICNVWHW-UHFFFAOYSA-N 275.367 3.761 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)Oc2ccc(C)cc21 779970611 JMQRXITUPXHRFS-HNNXBMFYSA-N 285.387 3.693 30 20 CHED C[C@H]1CC[C@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)C1 780225594 LXNPUEMCEHOGFE-ONGXEEELSA-N 293.823 3.687 30 20 CHED COc1ccc(NN=C(C)CCc2ccc(F)cc2)nc1 780274710 IAMLXHVYLXJUNF-UHFFFAOYSA-N 287.338 3.650 30 20 CHED Cc1nc2cc(NC(=O)c3cc(C#N)cs3)ccc2s1 781201743 JSFXWOQGURPWOU-UHFFFAOYSA-N 299.380 3.790 30 20 CHED C#CC[C@H](OC(=O)c1cc2nc(C)ccc2o1)C(C)(C)C 781558583 LFMBCQXSMRNHJN-HNNXBMFYSA-N 285.343 3.731 30 20 CHED FC(F)(F)c1ccccc1ON=C[C@@H]1CCSC1 782254509 LMQXHMUVQQGTBH-VIFPVBQESA-N 275.295 3.823 30 20 CHED N#CCc1cccc(C(=O)OCCCc2ccsc2)c1 782679488 VLNPNYFFVLUZOC-UHFFFAOYSA-N 285.368 3.604 30 20 CHED N#Cc1cc(NC(=O)CCCc2ccsc2)ccc1F 783043531 DPJWGOOGWIYYTK-UHFFFAOYSA-N 288.347 3.720 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2c(c1)CCCN2 783440247 KRDIDPFSFHMJFV-UHFFFAOYSA-N 286.375 3.531 30 20 CHED C[C@@H](OC(=O)C12CCC(CC1)C2)c1ccc(C#N)cc1 784060140 UDCGXKJQTVJMMD-SFYCDEOASA-N 269.344 3.743 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)Cc1ccccc1CC#N 785429342 CCWTWALBHBBSIE-OAHLLOKOSA-N 298.430 3.770 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1csc(Cl)c1 787162379 KDDFTZFQSIOFOS-UHFFFAOYSA-N 289.791 3.787 30 20 CHED C#CCC1(C(=O)N2CCC[C@H](CC)CC2)CCCCC1 788227580 PXGQEHIDUYDQFU-INIZCTEOSA-N 275.436 3.999 30 20 CHED CC(=NNc1ncccn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788424558 IOWVTQUOQNRFPP-VHSXEESVSA-N 292.795 3.783 30 20 CHED CC(=NNc1ncccc1C)c1cc(F)c(F)c(F)c1 790186672 OIFGIHBDPBWASM-UHFFFAOYSA-N 279.265 3.643 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NNc1ncccc1C 790189617 BAYICUISVNKIHM-UHFFFAOYSA-N 293.374 3.687 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](c1ccccc1C)C1CC1 791065565 UWXIRVRJMKYWAP-RDJZCZTQSA-N 284.403 3.547 30 20 CHED N#Cc1csc(C(=O)OCc2cccc(C(F)F)c2)c1 791764499 OUDUJSKMDSEDRX-UHFFFAOYSA-N 293.294 3.914 30 20 CHED C=CCCCCC[C@H](C)NCc1cccc(F)n1 793545119 AKAWEGNQIMLTTN-ZDUSSCGKSA-N 250.361 3.835 30 20 CHED C#Cc1cccc(N(C)Cc2oc(CCC)nc2C)c1 794355840 VAIIAENRMCCQKF-UHFFFAOYSA-N 268.360 3.553 30 20 CHED CCc1ccc(CON=Cc2cc(OC)cc(OC)c2)cc1 794725648 IYQFYYZWJHLIGL-UHFFFAOYSA-N 299.370 3.817 30 20 CHED CC(C)(C)CC(=NNc1cncnc1)c1ccccc1 794973940 YNZHPSDLILXDSQ-UHFFFAOYSA-N 268.364 3.729 30 20 CHED CC[C@H](C)CCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 796739710 SWSRJTDSPAAJOE-NWDGAFQWSA-N 269.348 3.565 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)c1ccc(C)o1 797405272 ZMRPZDHGZCTKNY-UHFFFAOYSA-N 292.770 3.991 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc(C#N)cc1 798369326 CWDHLFBIEITWOS-HJWRWDBZSA-N 279.343 3.540 30 20 CHED C=CCCCN1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799359777 CDMSONMOGFCIBB-OAHLLOKOSA-N 296.455 3.579 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@H](OC)C[C@H]1C 799528882 KWJOEXXEBJDMIE-CVEARBPZSA-N 298.471 3.946 30 20 CHED C[C@H](CC(=O)OCCCSCC#N)c1cccc(F)c1 805455741 LGDZLNIPSLJRPL-GFCCVEGCSA-N 295.379 3.509 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)Cc2nc(Cl)ccc21 806578156 ODBYNLLLRIWVJR-JXMROGBWSA-N 273.694 3.697 30 20 CHED CCCC[C@H](CC)CNC(=S)NCC(C)(C)CCC#N 806597789 MALAWIVMAANHEH-AWEZNQCLSA-N 297.512 3.997 30 20 CHED C=CCCCCCCCCNC(=O)c1cnc(C)nc1C 807842946 BRTIRSOSADRDCU-UHFFFAOYSA-N 289.423 3.740 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2Cl)[C@@H]1SC 807943891 NGAJKPIRXZMUJH-STQMWFEESA-N 284.812 3.648 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1cccc(C)c1 807992390 IRDCLPLEGKSYDC-UHFFFAOYSA-N 280.375 3.889 30 20 CHED Fc1ccc(C2=CCC(=NN[C@H]3CCSC3)CC2)cc1 808000817 AWLCNWRPIKVDDR-INIZCTEOSA-N 290.407 3.844 30 20 CHED CCCc1nnc(S)n1N=C[C@H]1CCCC(C)(C)C1 808007817 HFJIRFLMBJYZQJ-NSHDSACASA-N 280.441 3.570 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2CC[C@H]2CC)cc1C#N 809636694 ZAJSGBJTOOPQIS-RISCZKNCSA-N 287.363 3.727 30 20 CHED C=CCCCCC[C@H](C)NCc1ncccc1N(C)C 810247478 NCILOBRKTVYJTO-HNNXBMFYSA-N 275.440 3.762 30 20 CHED C#Cc1ccccc1CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 810481524 VACCGTVVTNVXNQ-KFKAGJAMSA-N 295.426 3.638 30 20 CHED O=C1/C(=C/c2cccc(O)c2)Oc2cccc(Cl)c21 811699690 VXYSCLISOLURRY-JYRVWZFOSA-N 272.687 3.662 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 812005309 GIQHTPCCHWIWQD-YJBOKZPZSA-N 298.430 3.971 30 20 CHED C#CCON=C(C)c1oc2ccc(C)cc2c1CC 812234100 PTWLQZBDWHRFOG-UHFFFAOYSA-N 255.317 3.677 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](O)c1ccc(Cl)cc1 813459162 NOTZRDFOQJLPMJ-HNNXBMFYSA-N 295.810 3.578 30 20 CHED CC(Cc1nc2ccccc2s1)=NOCC1CC1 814244599 BJXIMZSTPUWWLV-UHFFFAOYSA-N 260.362 3.641 30 20 CHED Clc1ccc(NN=C2CCCC23CCCC3)nn1 814698263 XCUXPBZLVYXDTB-UHFFFAOYSA-N 264.760 3.642 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1 819951980 ITHSNMJQDPHLIQ-JHJVBQTASA-N 282.343 3.830 30 20 CHED C#CCCOc1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)cc1 828287555 YANFVPVHCKDPIG-MRXNPFEDSA-N 297.398 3.517 30 20 CHED CCCCCCCC(=O)Nc1nnc([C@@H]2CCCO2)s1 830425686 XQRKNEJYVCUVQI-NSHDSACASA-N 297.424 3.689 30 20 CHED CC(=NNc1nccc2sccc12)[C@@H]1C[C@H]2CC[C@H]1O2 834940680 CBNZMGBVWSXGQU-KGYLQXTDSA-N 287.388 3.652 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCC(C)(C#N)CC1 834947882 GQELLRKBQXUUMI-UHFFFAOYSA-N 286.335 3.775 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1ccnc(O)c1 835018710 SCGALVNGAGRDRF-UHFFFAOYSA-N 269.348 3.747 30 20 CHED C=CC[C@@H](OC(=O)[C@@H]1CC1(F)F)c1ccccc1 835325890 YKEJZQSTCKSBRL-NWDGAFQWSA-N 252.260 3.502 30 20 CHED C=CC(C)(C)C(=O)OCCc1cccc2ncccc12 835663416 YJLWGIQHQOHXID-UHFFFAOYSA-N 269.344 3.533 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1cnc2ccccc2c1 838863829 DFFDVXVSGCOXSV-SFHVURJKSA-N 299.370 3.620 30 20 CHED C=CCCN(CCc1ccccn1)OCc1ccccc1 839573932 HODOQCOPGMVVNF-UHFFFAOYSA-N 282.387 3.634 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1CCC2(CCCC2)C1 840267088 BTIDHWGUULPVPH-UHFFFAOYSA-N 295.308 3.743 30 20 CHED CC(CCCCC#N)=NNc1ccc(Cl)nc1 841627750 BKIDAUJRRKURNX-UHFFFAOYSA-N 250.733 3.607 30 20 CHED CCC(=NNc1ncc(F)cc1F)[C@H]1CC1(C)C 841644025 RZUWPDPEJYMFHL-SECBINFHSA-N 253.296 3.584 30 20 CHED N#C[C@@H](C(=O)[C@H]1CC=CCC1)c1nc(C2CC2)cs1 842939511 VMPMTZRKPNASCR-RYUDHWBXSA-N 272.373 3.553 30 20 CHED COCC(CC(C)(C)C)=NOCc1ccccc1OC 844592980 AHXSUZTXSJZCJS-UHFFFAOYSA-N 279.380 3.650 30 20 CHED CSC(C)(C)CC=NNc1cccc(C(=O)O)c1C 844624037 SRRJEGGEYMTCBX-UHFFFAOYSA-N 280.393 3.623 30 20 CHED Cc1cc(C#N)ccc1NCC(C)(C)c1cccnc1 846749798 JFXWAWGEMHTHIU-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1nc(Cl)sc1Cl 847968404 GKVSFAUHHPSNKT-ZETCQYMHSA-N 291.203 3.631 30 20 CHED CSc1cc(C(=O)OCC2(C#N)CCCC2)c(C)o1 850932791 MBWOMYOWTITDBZ-UHFFFAOYSA-N 279.361 3.551 30 20 CHED CSCC(C)(C)COC(=O)CC1(C#N)CCCCC1 851169321 AXGZPNFXLIXBOA-UHFFFAOYSA-N 283.437 3.783 30 20 CHED Cc1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)c(C)s1 851212503 KZMZIURZLJCYKF-VIFPVBQESA-N 265.378 3.850 30 20 CHED C=CC(C)(C)CCOC(=O)[C@H](OC)c1cccc(OC)c1 851301202 SZQYMIQBNOPLRW-OAHLLOKOSA-N 292.375 3.528 30 20 CHED FC(F)Oc1ccc(NN=CC2CCSCC2)cc1 853299723 VSOZXRRYFSQHJQ-UHFFFAOYSA-N 286.347 3.829 30 20 CHED C#Cc1cccnc1NCc1cc(C(CC)CC)no1 853380810 YVUKAPMFHNPTKL-UHFFFAOYSA-N 269.348 3.567 30 20 CHED CCC(C=NNc1ccc([N+](=O)[O-])cc1F)CC 853396465 JUAVDCAFCHIKKH-UHFFFAOYSA-N 253.277 3.568 30 20 CHED CCCCCCCNC(=O)Nc1c(C)nn(CC)c1C 860866330 FLAGNRIYEDMTRC-UHFFFAOYSA-N 280.416 3.612 30 20 CHED CCc1cccc(/C=C2\CCc3scnc3C2=O)c1 863198568 POWQCCRFJYLGMQ-UKTHLTGXSA-N 269.369 3.918 30 20 CHED CC[C@@H](CC#N)NC(=O)/C=C\c1ccccc1C(F)(F)F 867419501 KYADBDDCELOCPK-KRZKBDHCSA-N 296.292 3.527 30 20 CHED CCCOc1ccc(C=NOCc2cccnc2)cc1C 872359961 WCORSGLBZJPUDM-UHFFFAOYSA-N 284.359 3.730 30 20 CHED C[C@H](CCC#N)CNc1ccc(N(C)C)c(Cl)c1 876848894 NPTFDUHBXOJNMS-LLVKDONJSA-N 265.788 3.758 30 20 CHED CC(C)(C)c1nc(COc2cc(F)cc(C#N)c2)co1 877883299 DFHXBMDDGYUOMI-UHFFFAOYSA-N 274.295 3.562 30 20 CHED CCSc1ccc(CNC(=O)C(C#N)(CC)CC)cc1 893326360 LNKQLFAOQCNHBE-UHFFFAOYSA-N 290.432 3.745 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cccc2c1NCCC2 893931808 SPIYRWIAKBXSFU-UHFFFAOYSA-N 291.398 3.548 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](c1ccncc1)C1CC1 894028314 NGWZIXSOEIARFA-BBRMVZONSA-N 287.407 3.577 30 20 CHED CC#CCCCC(=O)NC(C)(C)c1ccc(F)cc1F 894771242 ZTRJKSOFLCMXOB-UHFFFAOYSA-N 279.330 3.510 30 20 CHED C[C@H](CCC#N)CN1CCc2ccccc2C1(C)C 895017538 YGAWYDMWQQHKRP-CQSZACIVSA-N 256.393 3.720 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccc(F)c(C)c2)no1 899998035 AUNOZYLYNPITFA-ZDUSSCGKSA-N 275.327 3.540 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)c1ncc(C(=O)O)s1 901913609 ZVFUCBBGPUYJRT-QWRGUYRKSA-N 282.409 3.627 30 20 CHED C=CCCC1(CNCCC(C)(C)C(=O)O)CCCC1 902423669 RGMQDBXUERNUOT-UHFFFAOYSA-N 267.413 3.604 30 20 CHED COCCc1cccc(-c2csc(CC#N)c2)c1 904752304 JWDQTFPDMGDUOH-UHFFFAOYSA-N 257.358 3.670 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1ccsc1C#N 905985701 LSARMBSCZCWBFO-UHFFFAOYSA-N 284.384 3.591 30 20 CHED N#CC1(CCCCOC(=O)CCC(F)(F)F)CCC1 909034201 FDJPYAUUKJGGRQ-UHFFFAOYSA-N 277.286 3.736 30 20 CHED CCn1cc(C=NNc2cccc(C#N)c2)c2ccccc21 915048194 APLRACQNLYDILF-UHFFFAOYSA-N 288.354 3.979 30 20 CHED CCC(=NNc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 915962640 UDIQIJLIHQPBCZ-UHFFFAOYSA-N 294.314 3.693 30 20 CHED C=CCN(CC(=O)Nc1cccc(C(C)C)c1)C(C)C 917071490 SNKSBGIHFJIWLH-UHFFFAOYSA-N 274.408 3.645 30 20 CHED C=CCN(C(=O)NCc1ccc(OCCC)cc1)C(C)C 918065488 ZUXLZCRRMDHCJA-UHFFFAOYSA-N 290.407 3.581 30 20 CHED C=CCN(C(=O)NC[C@H]1CCCc2ccccc21)C(C)C 918068702 YHPNCVVZNCCQDQ-MRXNPFEDSA-N 286.419 3.713 30 20 CHED CCCCCCCC(=O)OCC[C@H]1CCCCN1C 919222895 JQRPLCCZBYLBDO-OAHLLOKOSA-N 269.429 3.765 30 20 CHED COc1ccc(Cl)c(N=Cc2cccc(O)c2O)c1 920755499 LCPQJOFDMQHFNV-UHFFFAOYSA-N 277.707 3.510 30 20 CHED COc1ccc(N=Cc2c(O)ccc3ccccc23)cn1 920942734 CNNBGJZLUABCQN-UHFFFAOYSA-N 278.311 3.700 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(O)nc(CCC)c2)n1 924080078 GIFZERGDNMFCPE-UHFFFAOYSA-N 287.363 3.643 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1nonc1C)c1ccccc1 925581424 ZJWZVKREGHEIDT-SWLSCSKDSA-N 271.364 3.736 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1cccc(F)c1F 925666352 RVQPHBNQICAIRP-GHMZBOCLSA-N 266.335 3.944 30 20 CHED COc1c(F)cc(F)cc1N[C@@H](C)CC(C)(C)C#N 926084567 NIUJBWBXVJYSGK-VIFPVBQESA-N 268.307 3.714 30 20 CHED CC1(C)CC(C(=O)N2CCC[C@H](C#N)C2)CC(C)(C)C1 928214646 QKVMZLVIWRIFJC-CYBMUJFWSA-N 276.424 3.601 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1cccc(O)c1)CC1CC1 934705827 DYMNZYGFOSOYJV-AWEZNQCLSA-N 287.403 3.733 30 20 CHED Cc1c(C#N)cccc1C(=O)OCCCc1ccsc1 1116930466 CENAJWAETZFBRZ-UHFFFAOYSA-N 285.368 3.718 30 20 CHED C[C@@H]1CC[C@H](C=NNc2cncc(Br)c2)C1 1116935868 PQOYVRPKTSAABE-ZJUUUORDSA-N 282.185 3.678 30 20 CHED CC(C)c1scnc1NC(=O)CC#Cc1ccccc1 1117549604 JKMQGVWYYFQBRT-UHFFFAOYSA-N 284.384 3.647 30 20 CHED C=C[C@H](C(=O)N1CC2(CCC2)[C@H]1C1CC1)c1ccccc1 1123787855 PTXVHZCKPQTLNL-DLBZAZTESA-N 281.399 3.747 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cc(C)cs1 1125357113 VJPCUEFJJWTAIG-UHFFFAOYSA-N 286.356 3.579 30 20 CHED N#Cc1cc(Cl)ccc1SCCc1cnoc1 1188870808 WLTQMUSGTURFKX-UHFFFAOYSA-N 264.737 3.534 30 20 CHED Cc1ccc(N(CCOCCC#N)Cc2ccccc2)cc1 1261236920 BFFJVXZWIMMATB-UHFFFAOYSA-N 294.398 3.932 30 20 CHED C=C(C)CCC(=O)N1CCC(Cc2ccccc2)CC1 1262561367 TVCRXEFUHBXKAC-UHFFFAOYSA-N 271.404 3.824 30 20 CHED Cc1ccc2oc(NCc3cccc(OCC#N)c3)nc2c1 1318560039 YMHHBPWIORRIKE-UHFFFAOYSA-N 293.326 3.651 30 20 CHED C=CC[C@H](C)NC(=O)C(F)(F)c1ccc(Cl)cc1 1318893212 NWOFPCCSGDEJTL-VIFPVBQESA-N 273.710 3.513 30 20 CHED CC[C@@H](C)[C@@H](NC(=O)CC#Cc1ccccc1)C(F)(F)F 1320813000 GJLZVJOPTHKOBY-IUODEOHRSA-N 297.320 3.521 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1cc2ccccc2[nH]1 1324383194 RRZBZLAPNAFHHT-QGZVFWFLSA-N 270.376 3.729 30 20 CHED N#CCOc1ccc(N[C@H]2CCc3nc(Cl)ccc32)cc1 1324583802 AYHZQUZKKQHDEX-AWEZNQCLSA-N 299.761 3.737 30 20 CHED COc1cccc([C@H]2CCCN2CC2(CC#N)CC2)c1 1330657969 RIPDEILPLSWLLP-MRXNPFEDSA-N 270.376 3.526 30 20 CHED Cc1cc([C@@H](C)NC(=O)CC2(C#N)CCCCC2)c(C)o1 1334814111 AZSAWNDQGIPNMN-CYBMUJFWSA-N 288.391 3.938 30 20 CHED C[C@@H](CCC#N)CNCc1cccc(C(F)F)c1 1336754275 HKPALTBNUORDIM-NSHDSACASA-N 252.308 3.654 30 20 CHED C=CCCCCCC(C)=NNc1nncc(N)c1Cl 1340615362 HTMQELNITQVQRG-UHFFFAOYSA-N 281.791 3.637 30 20 CHED C#C[C@@H](NCc1ncccc1C)c1ccc(Cl)cc1F 1343323876 PILYYQDDUXSOLI-OAHLLOKOSA-N 288.753 3.647 30 20 CHED C=C[C@H](C(=O)N[C@@H]1CCCC(F)(F)C1)c1ccccc1 1349329926 KFRQRYHRIBBACT-KGLIPLIRSA-N 279.330 3.650 30 20 CHED N#Cc1ccc(NC(=O)c2ncc(Cl)cc2Cl)cc1 1352713838 CKUIGOSFIORUFY-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1cc(NC(=O)C23CCC(CC2)CC3)c(F)cc1F 1355021003 LWNUNXDGKOMTBF-UHFFFAOYSA-N 290.313 3.745 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c2ccccc12 1357676412 JWBLTCWKMSGGDH-ZIAGYGMSSA-N 279.339 3.997 30 20 CHED N#Cc1cc(NC(=O)c2cccc3c2CCC3)c(F)cc1F 1438611243 NPQGEACTCSABGK-UHFFFAOYSA-N 298.292 3.577 30 20 CHED C[C@H]1CCC[C@@H](Nc2nc(C#N)c(Cl)s2)C1 1458096966 VYGSVMOBNIZQQX-JGVFFNPUSA-N 255.774 3.659 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)CC(C)C)c1cccs1 1525963201 ATZCQBFAISOOFC-FZMZJTMJSA-N 265.378 3.928 30 20 CHED CC1(C)CCC[C@H](OC(=O)Cc2cccc(C#N)c2)C1 1527731784 FNCSJZRPOTWWQE-HNNXBMFYSA-N 271.360 3.613 30 20 CHED CC(C)Oc1cccc(NC(=O)c2ccc(C#N)cc2F)c1 1533725972 PAOGXKGOMSSWLW-UHFFFAOYSA-N 298.317 3.737 30 20 CHED N#Cc1cc(F)cc(NC[C@H]2CCc3ccccc32)c1 1560968591 PPVUCURFCSBJJW-CQSZACIVSA-N 266.319 3.839 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1cc(C#N)ccc1F)CC2 1562917491 XHRWWFKNTAFWNG-UHFFFAOYSA-N 295.317 3.600 30 20 CHED CCCC(=NNc1ccc(C)c(C(=O)O)c1)c1cccnc1 1595522007 IODSCUDRKWSRAX-UHFFFAOYSA-N 297.358 3.705 30 20 CHED CC(C)(C(=O)O)c1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 1603270660 CBEZBNSTEYRKIU-WFASDCNBSA-N 286.375 3.543 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)c1ccccc1 1609556931 VNVKQNMCCJAAPO-UHFFFAOYSA-N 268.316 3.529 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2C)[C@@H]1C 1623179711 RYFGVSNKHSWSGF-TZMCWYRMSA-N 271.364 3.519 30 20 CHED C[C@H]1CCCCN(c2nc(C(C)(C)C)ccc2C#N)C1 1651758443 JBCMTKMRUUJFSG-ZDUSSCGKSA-N 271.408 3.877 30 20 CHED CC[C@H](Cc1ccccc1)NCc1ccc(C#N)c(C)c1 1655500964 PSEKMEYSHUWUAG-LJQANCHMSA-N 278.399 3.978 30 20 CHED CNc1ccc(C)cc1CN(CCC#N)CCC(C)C 1658348073 IRBFHHGVYGIMRW-UHFFFAOYSA-N 273.424 3.799 30 20 CHED Cc1ccccc1COC(=O)N[C@H](C)c1cccc(C#N)c1 1671462625 CGWZONOLFJOPLP-CQSZACIVSA-N 294.354 3.854 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(C3CC3)cc2)cc1F 1776075450 INLPGLDLRZXYBX-UHFFFAOYSA-N 298.317 3.847 30 20 CHED C=CCCC[C@H](NCc1ccc(C)c(C)c1C)C(=O)O 1776171060 BVEHELZRXAUCIN-INIZCTEOSA-N 275.392 3.511 30 20 CHED C=CCOc1cccc(/C=C2\COc3ccccc3C2=O)c1 7747229 WXVADTPIKPMPFN-RVDMUPIBSA-N 292.334 3.910 30 20 CHED C#CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 8570457 KHBWYTXERXSFHJ-UHFFFAOYSA-N 279.339 3.568 30 20 CHED C=CCn1c(C)nnc1SCc1ccc(F)cc1Cl 13989906 QJYDYVKPTXRILF-UHFFFAOYSA-N 297.786 3.857 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)Cc2cccc(F)c2)cc1 25437659 AHNISIHHAVWYSG-UHFFFAOYSA-N 296.345 3.808 30 20 CHED CCCCN(CCCC)CCOc1ccccc1C#N 34674401 DRMOGFACUFQRST-UHFFFAOYSA-N 274.408 3.839 30 20 CHED Cc1ccc(CN(C)c2ccc(C#N)cc2F)cc1 36886665 GKGXICLAEHJIMQ-UHFFFAOYSA-N 254.308 3.642 30 20 CHED CC(=O)Nc1ccc(CNc2cc(Cl)ccc2C#N)cc1 36954297 ANJRMZHICCWDPN-UHFFFAOYSA-N 299.761 3.782 30 20 CHED CC(C)CCOc1cccc(NC(=O)C(C)(C)C#N)c1 49138582 GBMBHCZPWGYWEZ-UHFFFAOYSA-N 274.364 3.600 30 20 CHED CCN(Cc1ccccc1)C(=O)CCc1ccc(C#N)cc1 53665004 AWJNYPXYEHJULS-UHFFFAOYSA-N 292.382 3.540 30 20 CHED CCC[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC(C)C 54538193 SHWCIWHZONQDLG-LBPRGKRZSA-N 289.379 3.656 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2sccc2C)cc1 57682339 HKDUEALNLBQINX-UHFFFAOYSA-N 284.384 3.925 30 20 CHED C=CCN(CCOCCC(C)C)Cc1cccc(C#N)c1 63388173 VTVFVLWAJWYNFI-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C=CCOc1ccc(C(=O)N(C2CC2)[C@@H](C)C2CC2)cc1 73738246 LXHFGGDSKZKTMN-ZDUSSCGKSA-N 285.387 3.655 30 20 CHED CCC[C@@H](C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 75271995 IUTQZSWMSKPUGU-OLZOCXBDSA-N 258.365 3.562 30 20 CHED CCC(CC)SCCOc1ccc(C#N)cc1OC 77491380 JNKWKPSXXKZKMG-UHFFFAOYSA-N 279.405 3.867 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC1CCCC1 79507828 PZRXGANCOZWIGH-UHFFFAOYSA-N 272.392 3.574 30 20 CHED C=CCOCCCC(=O)NC[C@H](c1ccccc1)C(C)C 79534333 JPARSPQPCPDFGC-KRWDZBQOSA-N 289.419 3.525 30 20 CHED N#CCOc1cccc(NCc2cccc3[nH]ccc23)c1 80336130 KHXQWYAAHZWHOG-UHFFFAOYSA-N 277.327 3.682 30 20 CHED COC[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1 81009871 KBTGCRHOIBIXAL-AWEZNQCLSA-N 290.750 3.913 30 20 CHED CCc1ccc(NCc2ccc(C#N)cc2OC)cc1 83492940 ZVAOCASDXGUCKO-UHFFFAOYSA-N 266.344 3.741 30 20 CHED Cc1ccc(SCCC(=O)N[C@@H](C#N)C(C)(C)C)cc1 85439355 VFWITYDQYHEYSY-AWEZNQCLSA-N 290.432 3.532 30 20 CHED C#CCCCCN[C@H](C)c1nc2ccc(Cl)cc2n1C 91377852 STYAIXOZDGIVMY-GFCCVEGCSA-N 289.810 3.681 30 20 CHED CC[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 91929529 DONKLUOCWDISMT-OAHLLOKOSA-N 272.392 3.601 30 20 CHED C[C@@H](c1cccnc1)N(C)CC#Cc1cccc(Cl)c1 93235109 ZJGIMLFNVUOYFP-AWEZNQCLSA-N 284.790 3.780 30 20 CHED C=CCCC(=O)N(Cc1ccccn1)c1ccc(F)cc1 102235452 DNOLCILKZIYSMU-UHFFFAOYSA-N 284.334 3.720 30 20 CHED CC[C@@](C)(C#N)NC(=O)C[C@H](c1ccccc1)C(C)C 103078681 VXUKSVOKDZQOBQ-RDJZCZTQSA-N 272.392 3.625 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(F)c(C)c2)c1 103394616 HZCVNVUYFBTKGP-UHFFFAOYSA-N 281.330 3.782 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCc1ccccc1 106422557 WZELJGANDSOOCZ-UHFFFAOYSA-N 272.392 3.598 30 20 CHED CSc1ccsc1C(=O)N(C)c1cccc(C#N)c1 107130926 HYHCKXCRNFXYHK-UHFFFAOYSA-N 288.397 3.618 30 20 CHED C#Cc1cccc(N(CC)Cc2noc3c2CCCC3)c1 108862693 JIKPIQFBYUXJPK-UHFFFAOYSA-N 280.371 3.561 30 20 CHED C=CC1CCN(C(=O)c2ccc(N(C)CCC)cc2)CC1 110365656 DKFMTOKJPQREEK-UHFFFAOYSA-N 286.419 3.571 30 20 CHED C=CC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 110367266 XTFXFEZLBCTIKK-UHFFFAOYSA-N 277.795 3.697 30 20 CHED C=CCCC(=O)Nc1nc(-c2ccccc2Cl)ns1 110382210 AIFGCSSGSBLYAI-UHFFFAOYSA-N 293.779 3.763 30 20 CHED CC(C)Oc1cccc([C@@H](C)NC[C@H](C#N)CCC#N)c1 112528241 FGEUUUYBXYYAKT-CABCVRRESA-N 285.391 3.568 30 20 CHED COCc1ccccc1NCc1ccc(O[C@@H](C)C#N)cc1 119439407 BZVZWYHCNYMJQW-AWEZNQCLSA-N 296.370 3.736 30 20 CHED C#CCCCCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 119744213 QZGNIPSUJQDEKM-GOSISDBHSA-N 281.399 3.859 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc2ccccc2c1O 122277294 XMGLZYNERZMRMA-LBPRGKRZSA-N 268.360 3.746 30 20 CHED CC[C@@](C)(NCC#Cc1ccc(F)cc1)c1nccs1 125455630 IFTQNOMUFAMOMA-MRXNPFEDSA-N 288.391 3.549 30 20 CHED N#CCOc1ccc(NC(=O)c2sccc2Cl)cc1 126468241 ZCNDFRPGMHKZLW-UHFFFAOYSA-N 292.747 3.556 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)Cc2ccc(C)s2)CC1 127892163 BIFVUPHQDBTSNO-GFCCVEGCSA-N 292.448 3.595 30 20 CHED C=CCCSc1nnc(COc2cc(C)ccc2C)o1 128646049 LHJPRYUOOZLZEQ-UHFFFAOYSA-N 290.388 3.934 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H]1CCC[C@H](C)C1 130426069 YOMPBGXUAFQHDP-XJKSGUPXSA-N 272.392 3.577 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@@H](C)c1cccc(C)c1 130958540 YYIUMJINJKGEBL-ZDUSSCGKSA-N 295.338 3.584 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H](C)C1CCC1 131458783 CCDOAAAWZIVDTF-OAHLLOKOSA-N 286.419 3.615 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CC[C@H](SC)C1)c1ccccc1 136198188 FTVIHYMWZOFDJU-KBMXLJTQSA-N 289.444 3.747 30 20 CHED Cc1ccc(CN(C)C)cc1NCc1cccc(C#N)c1 151984082 FCBBSOHMYBOHNH-UHFFFAOYSA-N 279.387 3.540 30 20 CHED C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccc(C#N)cc1 154340724 HOMJNINMLWUJEH-VXGBXAGGSA-N 269.323 3.504 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCc3ccccc3C2)cc1 154418001 GODZUKNDOMXLPJ-HNNXBMFYSA-N 292.382 3.536 30 20 CHED CC(C)CN(CC(C)C)C(=O)c1ccc(C#N)c(Cl)c1 154626105 PVKAXVFPPNSOGL-UHFFFAOYSA-N 292.810 3.966 30 20 CHED C=CCCCCCN(C)C(=O)CC[C@H]1CCCCO1 156841060 WVLQCQSNBOZCAK-OAHLLOKOSA-N 267.413 3.541 30 20 CHED Cc1nnc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(C#N)c1C 156854241 JOKWVIPKQVGITH-DZGCQCFKSA-N 298.777 3.587 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H]1Cc1ccccc1 157551495 QBHBDOVXVSVGIH-MRXNPFEDSA-N 256.393 3.633 30 20 CHED COc1cc(C#N)ccc1CSCCOC(C)(C)C 159562942 YTLXGXOKPBXJRY-UHFFFAOYSA-N 279.405 3.615 30 20 CHED Cc1ccc(CN(CCC#N)Cc2ccco2)cc1F 159624172 BFCWRFPSNKGJRJ-UHFFFAOYSA-N 272.323 3.643 30 20 CHED C=C(C)CNC(=O)c1cc2cc(Br)ccc2o1 161189917 CHBQFWLLIDQEKM-UHFFFAOYSA-N 294.148 3.501 30 20 CHED C[C@@H](CC#N)N(C)Cc1coc(-c2cccc(Cl)c2)n1 161982544 MYEMTOSMTYITAB-NSHDSACASA-N 289.766 3.729 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1c[nH]nc1C 162792353 XIXJCRIPVVIEFF-UHFFFAOYSA-N 281.812 3.621 30 20 CHED C[C@@H]1OCC[C@H]1SCC#Cc1cccc(Cl)c1 163877895 UXTPHFTTXLOOQR-SMDDNHRTSA-N 266.793 3.602 30 20 CHED C=CCCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 172795059 AXFMRKAUMZOVST-WFASDCNBSA-N 261.340 3.701 30 20 CHED CCSCC[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 173868358 LHNNWYIQMKVPSI-KGLIPLIRSA-N 292.448 3.599 30 20 CHED CC(C)COc1ccc(CCNCc2ccc(C#N)o2)cc1 174367740 MNEWJMOYXNOISX-UHFFFAOYSA-N 298.386 3.518 30 20 CHED C[C@@H](C(=O)OCC1(CC#N)CC1)c1ccc(Cl)s1 175183683 QXTDVQPXWNAHOY-SECBINFHSA-N 283.780 3.742 30 20 CHED C=CCSCCNC(=O)[C@@H](C)c1ccc(Cl)s1 175916197 QJFGDKPXNNSRLX-VIFPVBQESA-N 289.853 3.540 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1 175983632 FLAASQVERVNRLL-SUMWQHHRSA-N 288.391 3.532 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(C)c(Oc2ccncc2)c1 176011317 CMCZMOWTBKFVPK-CQSZACIVSA-N 296.326 3.641 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1sccc1C)C2 176937482 YBDWBIKOZYLWCG-WQLSENKSSA-N 270.353 3.888 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1cc(C)sc1C 180477417 QUAMKADYRXZHPA-LLVKDONJSA-N 266.410 3.643 30 20 CHED C#CCCCCN[C@@H]1CCSc2c(F)cccc21 181304059 VAOSYJVMYJYSHO-CQSZACIVSA-N 263.381 3.756 30 20 CHED CC#CCNc1ccc(Cl)cc1NC(=O)c1ccco1 182302219 QYYNUQNFXXUDIR-UHFFFAOYSA-N 288.734 3.621 30 20 CHED C#CCC(C)(C)C(=O)OCc1nc(-c2ccccc2)cs1 184893991 RZMFGNZZRLNCAI-UHFFFAOYSA-N 299.395 3.903 30 20 CHED Cc1cc(C#N)ccc1CN1CCS[C@@H]2CCCC[C@@H]21 186254699 CSXPQWWUVNVPDY-DLBZAZTESA-N 286.444 3.727 30 20 CHED C[C@H](NCCCCC#N)c1ccc(Br)cc1F 187950887 BZRNFPDHXMGCOF-JTQLQIEISA-N 299.187 3.933 30 20 CHED C=CCOc1ccc(CN(C(=O)C2CC2)C(C)(C)C)cc1 188085536 HGIVKDJRTGKWLJ-UHFFFAOYSA-N 287.403 3.789 30 20 CHED N#CC1(C(=O)Nc2ccc(Cl)c(Cl)n2)CCCCC1 188908168 JEJIFHHPVUORJS-UHFFFAOYSA-N 298.173 3.801 30 20 CHED C[C@H]1CSC(S[C@@H](C)c2cccc(C#N)c2)=N1 189873992 XEIJEVZVIJHSPR-UWVGGRQHSA-N 262.403 3.844 30 20 CHED COc1ccc2c(c1NCc1ccc(C#N)cc1)CCC2 190460520 ZRUDZZMWMTWVSV-UHFFFAOYSA-N 278.355 3.668 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 190477601 NWWXYGWKYKNLFJ-BDJLRTHQSA-N 290.363 3.670 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)c(F)c1 192164797 AVVXUDTVPDPDJW-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED C[C@@H](Nc1ccc(N(C)C)cc1)c1ccc(OCC#N)cc1 192962581 NKZFLLYKDGMOEM-CQSZACIVSA-N 295.386 3.828 30 20 CHED Cc1cc2ncn(CCOc3cccc(C#N)c3)c2cc1C 195577869 UPWIBCIRJFRSJB-UHFFFAOYSA-N 291.354 3.604 30 20 CHED N#Cc1c(F)cccc1Sc1cccc(F)c1C#N 205107375 BDCDCKDCXIIQOF-UHFFFAOYSA-N 272.279 3.859 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2ccc(F)c(F)c2)c1 206976062 JKPZFNYIXQNXMM-ALCCZGGFSA-N 269.250 3.733 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1ccc(Cl)nc1 217039787 UFONVQCHYGLFGA-DAFODLJHSA-N 279.126 3.680 30 20 CHED C[C@H]1OCC[C@@H]1SCc1ccc(C#N)cc1Cl 220979817 GGTKNWQRIJXXFJ-RNCFNFMXSA-N 267.781 3.622 30 20 CHED CCc1nnc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(C#N)c1CC 226609927 VFQMIKRIUCDDSM-FRRDWIJNSA-N 286.423 3.710 30 20 CHED CS[C@H]1CC[C@H](Nc2nc3ccccc3cc2C#N)C1 226803825 YZVVDEAZYILBPW-KBPBESRZSA-N 283.400 3.802 30 20 CHED N#Cc1cccnc1N[C@@H]1CCSc2ccc(F)cc21 247642412 IDEGXMVGHXRNCA-CYBMUJFWSA-N 285.347 3.741 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1coc2ccccc12 255440642 WWVYDCVPGZYKLC-HJWRWDBZSA-N 288.306 3.977 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cc(F)c(F)cc2F)s1 255493107 SDQIXXOAXXCPGJ-IWQZZHSRSA-N 293.269 3.933 30 20 CHED C#CCCCSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 270828002 IJXDPFZJVTXQCJ-GXTWGEPZSA-N 277.437 3.843 30 20 CHED C=CCCCCNC(=O)Nc1cccc(COCC)c1 274593596 MDECNOPCTQEOQK-UHFFFAOYSA-N 276.380 3.701 30 20 CHED N#Cc1cccc(C2(NC(=O)C3=CCCCCC3)CC2)c1 274665043 FRXCEDLTCLUQMP-UHFFFAOYSA-N 280.371 3.554 30 20 CHED CCCCCCCC(=O)N[C@H](c1ncc[nH]1)C(C)C 276594765 KUDCQWHGYKEKSD-AWEZNQCLSA-N 265.401 3.584 30 20 CHED CCN(C(=O)c1cc(C)sn1)[C@@H](C)c1ccc(C#N)cc1 278224581 JSTRTKZARCIUIV-LBPRGKRZSA-N 299.399 3.547 30 20 CHED CC(C)(C)c1cnc(S[C@H]2CC[C@H](C#N)C2)o1 278557582 MHQBVFDMRQGZQJ-UWVGGRQHSA-N 250.367 3.756 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1c1ccccc1Cl 279343399 UXNRXOSTIJXROD-CQSZACIVSA-N 290.794 3.943 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@H]1CCCCO1 279377451 HZHNYFZKWYUUQJ-QGZVFWFLSA-N 287.403 3.551 30 20 CHED CCc1ccc([C@H]2CCCN(C[C@H](C#N)CCC#N)C2)cc1 286500120 PQWLANCQOPROKG-HKUYNNGSSA-N 295.430 3.872 30 20 CHED Cc1cccc([C@@H](NC(=O)CCCC#N)C(C)(C)C)c1 292025732 ZVZVBTONJVUVMM-MRXNPFEDSA-N 272.392 3.892 30 20 CHED CC[C@@H](C#N)NC(=O)C1(Cc2cccs2)CCCCC1 292570007 RLMZYRZOYZKOMK-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED CCOC1(CN[C@H](C)c2cccc(C#N)c2)CCCC1 293730141 OIBMHSPMGQHJBX-CQSZACIVSA-N 272.392 3.558 30 20 CHED C=CCN(Cc1cccc(C#N)c1)CC1CC(F)(F)C1 295417143 DPQYBYDYAUHCON-UHFFFAOYSA-N 276.330 3.592 30 20 CHED C=CCCc1noc(C(C)(C)Cc2nc3ccccc3[nH]2)n1 297307306 MRJDPPAWWGMQLF-UHFFFAOYSA-N 296.374 3.585 30 20 CHED CC[C@@H](NCCC(C)(F)F)c1ccc(C#N)cc1 297363801 PXGJPAGSSFXEGW-CYBMUJFWSA-N 252.308 3.644 30 20 CHED C=C(C)CN(CC)c1cc(CC)nc(-c2ccncc2)n1 301302254 YFRQKYIDSAVUCL-UHFFFAOYSA-N 282.391 3.503 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2Cc2ccccc2Cl)cn1 301522625 OCSYGESAYPNILX-OAHLLOKOSA-N 297.789 3.818 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)C(C)(C)c1ccccc1 301583528 UFOFWXPUCNKELF-CYBMUJFWSA-N 265.360 3.731 30 20 CHED N#Cc1cccc(Sc2ncc(-c3ccc(F)cc3)o2)n1 301851522 PNLYUTZGRQMNCM-UHFFFAOYSA-N 297.314 3.899 30 20 CHED CN(Cc1ccc(O)cc1)c1c(Cl)cccc1C#N 302653966 NQVBZAAZNCABOV-UHFFFAOYSA-N 272.735 3.554 30 20 CHED CCc1cccc(CC)c1N/C(N)=N/Cc1cccs1 303710590 OSQIELBXAHPWLJ-UHFFFAOYSA-N 287.432 3.800 30 20 CHED CCOc1cc(CNc2cccc(CC#N)c2)ccc1OC 313480048 OSPVKEXCLWWPDJ-UHFFFAOYSA-N 296.370 3.772 30 20 CHED C=C(CC)CN[C@@H](C)c1ccccc1OC(F)F 313491872 BJLSRIRZFUBIAA-NSHDSACASA-N 255.308 3.905 30 20 CHED Cc1cc(/C(O)=N/C2CCC(F)(F)CC2)c2n[nH]cc2c1 328866313 BWCKDNRNFNGVEG-UHFFFAOYSA-N 293.317 3.754 30 20 CHED OC(=Nc1cccc2ocnc12)[C@@H]1[C@H]2CCCC[C@H]21 328901999 ZUPOJBFTWCFRGQ-IWIIMEHWSA-N 256.305 3.852 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cccc(-c3ncco3)c2)CCC1=O 329003098 HJQXRAVUNUKESD-RYUDHWBXSA-N 298.342 3.935 30 20 CHED O/C(=N/Cc1cccc(-c2ncc[nH]2)c1)C1[C@@H]2CCCC[C@@H]12 329455195 OCYZRGWLYXQAIA-HUUCEWRRSA-N 295.386 3.969 30 20 CHED CC[C@H](/N=C(/O)[C@@H]1CCCOCC1)c1nc(C)cs1 329884699 STLLDSOMJFUAAH-NEPJUHHUSA-N 282.409 3.676 30 20 CHED N#C[C@H](/N=C(/O)[C@H]1CC12CCCC2)c1ccc(F)cc1 329953258 JHQPHLYKJZYZSM-KGLIPLIRSA-N 272.323 3.927 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)c2occc2C(C)C)o1 330476429 HQJGSQIUHGBGRI-JTQLQIEISA-N 262.309 3.765 30 20 CHED CO[C@@H]1CCC[C@H]1C/N=C(/O)c1cc(C(C)C)oc1C 330606926 OKIIYHXAEGQFEQ-GXTWGEPZSA-N 279.380 3.831 30 20 CHED COC(=O)CC1(C/N=C(/O)C2=CCCC2)CCCCC1 331034960 LSTHPBPXQRXROA-UHFFFAOYSA-N 279.380 3.567 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@@H]1CCC[C@@H]1C#N 331098052 NBIZHLIDSVSRQD-VXGBXAGGSA-N 291.420 3.647 30 20 CHED CCOc1nccc(C)c1/C(O)=N/[C@@H](C)C1CCCC1 331200700 AJQRLMSVQBYHDN-LBPRGKRZSA-N 276.380 3.672 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@H]([C@H](C)CC)C(F)(F)F 331244770 ZTPMXBAPEVWVAL-RDDDGLTNSA-N 292.301 3.827 30 20 CHED CCc1ccc(CC)c(NC(=O)N[C@H]2CCC[C@@H]2C#N)c1 334035372 LBRZMHNJVQGLHV-CABCVRRESA-N 285.391 3.625 30 20 CHED CC(C)c1nc2ccc(NC(=O)[C@H](C)C#N)cc2s1 334674921 GKWTUPOVHUTUAB-SECBINFHSA-N 273.361 3.518 30 20 CHED C[C@@H](Sc1ccc(C#N)cn1)c1ccc(C#N)cc1 336580506 GYSWHIDRUJHQKQ-LLVKDONJSA-N 265.341 3.678 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCCCC1(C#N)CCOCC1 337194294 WDLOVTYONSJYOR-ZSHCYNCHSA-N 278.440 3.501 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NCCCC1(C#N)CCOCC1 337207142 NXNFRWONIKREOK-HZPDHXFCSA-N 292.467 3.891 30 20 CHED N#Cc1ccnc(N2Cc3cccc(Cl)c3C2)c1Cl 340870611 GMVKAZKJMWICGU-UHFFFAOYSA-N 290.153 3.780 30 20 CHED C[C@H](C#N)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 343348416 MFSLNJSGTJOOIV-SECBINFHSA-N 297.185 3.644 30 20 CHED Cc1cscc1C(=O)Nc1cc(C#N)c2ccccc2n1 345028271 KGOOEQCVQDSYPB-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CCc1cccs1 346955525 MOWOOJFZNMWHOS-UHFFFAOYSA-N 299.399 3.623 30 20 CHED C=C(CNC(=O)Nc1scnc1CC)c1ccccc1 350089806 QZUWSEIKMTVLIU-UHFFFAOYSA-N 287.388 3.540 30 20 CHED C=CCCCCNC(=O)Nc1cn(C)nc1-c1ccccc1 352882085 GDBZXHWRWPBNIK-UHFFFAOYSA-N 298.390 3.565 30 20 CHED N#Cc1ccc(C(=O)NCc2ccc3sccc3c2)s1 355378849 CQLQKXBDKDGDEG-UHFFFAOYSA-N 298.392 3.764 30 20 CHED CC[C@H](C)c1noc(C2(c3cccc(C#N)c3)CC2)n1 355886785 IPEJWADWJGDVNV-NSHDSACASA-N 267.332 3.535 30 20 CHED Cc1cnc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 357301053 BWSLFHFGWZJBNO-HZPDHXFCSA-N 297.427 3.723 30 20 CHED C=CCOCCCOc1cc(Cl)cc2cccnc12 358578130 IEPYBAZRDUXUCX-UHFFFAOYSA-N 277.751 3.860 30 20 CHED C=CCOc1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC2)cc1 359286534 LSVIVXFUKKHDNV-MRXNPFEDSA-N 285.387 3.512 30 20 CHED N#C[C@H](C(=O)c1ccsc1)c1cc(C(F)(F)F)ccn1 362141318 WXWMPKRENHPQNP-JTQLQIEISA-N 296.273 3.652 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(-c2nccn2C)c1 377223907 RURPULNJJNMHKE-CQSZACIVSA-N 298.390 3.563 30 20 CHED C#C[C@H](NCc1ccc(OC)c2ccccc12)C(C)C 382930244 JTJUSQCACUCESB-KRWDZBQOSA-N 267.372 3.596 30 20 CHED C[C@@H](CNc1c(C#N)nnc2ccccc12)CC(F)(F)F 397013062 ZCSMMUSOBDGICC-SECBINFHSA-N 294.280 3.502 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCCC2(F)F)cc1F 404245961 GPPRPJMBULODCZ-ZDUSSCGKSA-N 282.309 3.612 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(C#N)c1C 408094234 RQFJEHQWULUADF-BXUZGUMPSA-N 271.364 3.662 30 20 CHED C[C@@H](C1CCC1)N(C)c1ccc(C(F)(F)F)c(C#N)n1 409729221 CIAQRWVAQPRIOG-VIFPVBQESA-N 283.297 3.597 30 20 CHED CCCC[C@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 410006271 YXCANYJUCVZFKT-FZMZJTMJSA-N 278.783 3.847 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1cnc2ccccc2c1 410120786 HYRIYCBRXGHKMT-INIZCTEOSA-N 282.387 3.638 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Cc1ccc(C)cc1 410126158 WAGGYWHDJBCJLU-GOEBONIOSA-N 259.393 3.645 30 20 CHED C=CC[C@H](CC)NC(=O)COc1cc(C)ccc1C(C)C 410140832 SLCHSSPTBHYFFO-HNNXBMFYSA-N 289.419 3.968 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc2c(n1)CCC(C)(C)C2 410778721 XUFSPBQPFJNEKY-UHFFFAOYSA-N 287.407 3.532 30 20 CHED C[C@@H]1Cc2sc(NC(=O)C3=CCC3)c(C#N)c2[C@H](C)C1 411007958 HOUBRHSMHMDBIU-VHSXEESVSA-N 286.400 3.964 30 20 CHED CC[C@]1(C)CCN(c2cc(C(F)(F)F)cnc2C#N)C1 413194206 PPPPPRFMBGWYOF-CYBMUJFWSA-N 283.297 3.598 30 20 CHED N#Cc1cc(Cl)ccc1NCc1nnc(C2CC2)s1 413591104 ZODACHPCROCHIK-UHFFFAOYSA-N 290.779 3.553 30 20 CHED CC(C)(CC#N)CN[C@H](c1ccccc1)c1ccc(F)cn1 414165703 MJDPFTWCJBCMAW-QGZVFWFLSA-N 297.377 3.840 30 20 CHED Cc1cccc(CC[C@H](C)NCC2(C#N)CCC2)c1 418135368 ANRRUEAOWDQUKL-HNNXBMFYSA-N 256.393 3.600 30 20 CHED CC(C)(C)[C@@H](NC(=O)NCC1(C#N)CCC1)c1ccccc1 419421122 LEOOZSFEDHGMRW-HNNXBMFYSA-N 299.418 3.767 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)Nc1cncc(C#N)n1 420588240 RQLKZJXHEFXHHT-ZDUSSCGKSA-N 280.375 3.517 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCC1(C#N)CCC1 421184261 AKDICWAXFOKSDP-UHFFFAOYSA-N 260.724 3.593 30 20 CHED C=C(CN[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)c1ccccc1 423034651 XVOQDJGUCWSKAJ-CEXWTWQISA-N 284.447 3.600 30 20 CHED CCC[C@H](C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425124085 DVWZLCAFYDKRAW-KBPBESRZSA-N 272.392 3.904 30 20 CHED Cc1cc(N2CC(c3cccc(Cl)c3)C2)c(C#N)cn1 425256146 AWICSROWVLIHOA-UHFFFAOYSA-N 283.762 3.519 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccccc1OCCF 425605783 LZGXYTLUSCMZKK-UHFFFAOYSA-N 265.328 3.576 30 20 CHED CN(CCCC(C)(C)C#N)C(C)(C)CN1CCCCCC1 426722776 IUOUMIDOGXUMJD-UHFFFAOYSA-N 293.499 3.903 30 20 CHED N#CCC1(CNCc2cc3ccccc3s2)CC1 430048213 VNFXMEPGEHWOGM-UHFFFAOYSA-N 256.374 3.685 30 20 CHED C=C(C)CNC(=O)Nc1cc(-c2cccnc2)ccc1C 432787110 FSYSNOSBPUJGDC-UHFFFAOYSA-N 281.359 3.755 30 20 CHED CC(C)(C)OC1CC(CCNc2ccc(C#N)cc2)C1 432858142 HOPOEZLIGWTWJX-UHFFFAOYSA-N 272.392 3.954 30 20 CHED C=CCC[C@@H](C)NC[C@H]1CCCN(c2ccccc2)C1 433087619 JMJAZDJORUSOTL-IAGOWNOFSA-N 272.436 3.847 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 436094283 RVTLCOKKCWGWOX-UONOGXRCSA-N 288.391 3.794 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1c(C)cccc1C 438450823 GMXGANMKGJQYQT-CRAIPNDOSA-N 289.419 3.709 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1ccc(Cl)cc1F)OCC 439182085 RGXPHAGMJKETJL-CQSZACIVSA-N 299.773 3.813 30 20 CHED C=CCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 441249660 CKYBCFCDIMAAIX-UHFFFAOYSA-N 260.337 3.525 30 20 CHED Cc1ccc(NC(=O)C(C)C)cc1N[C@@H]1CC[C@@H](C#N)C1 442868320 QGLGMZQNZNGHQE-ZIAGYGMSSA-N 285.391 3.694 30 20 CHED Cc1cc(CNCc2c(F)cccc2Cl)ccc1C#N 443972250 XJAYVWZJPQUIJH-UHFFFAOYSA-N 288.753 3.949 30 20 CHED Cc1cc(CNc2ccc(OC(C)C)nc2)ccc1C#N 443989650 PFOSQMNXQUIWEI-UHFFFAOYSA-N 281.359 3.661 30 20 CHED N#CCCCN1C[C@H](c2ccccc2)c2ccccc21 444769325 WYKKLWRZVZSFSQ-QGZVFWFLSA-N 262.356 3.942 30 20 CHED C=C(C)CCNC(=O)[C@H](C)c1cc2ccccc2o1 452718012 NPLNVQMZRRUVHE-GFCCVEGCSA-N 257.333 3.619 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(Cl)c(OC)c1 452774029 JQPCTVWFSUUPLZ-UHFFFAOYSA-N 295.810 3.610 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(Cc2ccc(C(C)(C)C)cc2)no1 453054702 BNBNEGAODRGHJU-KZULUSFZSA-N 295.386 3.759 30 20 CHED C[C@H](NC[C@H]1CCOC(C)(C)C1)c1ccc(C#N)c(F)c1 453430705 REUFVKIFVUCHPD-STQMWFEESA-N 290.382 3.553 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1Br 454142356 UQSGLSPHPMTESJ-UHFFFAOYSA-N 297.196 3.783 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CCSc2c(F)cccc21 454340548 PYINAOGFKAYLII-ZDUSSCGKSA-N 294.395 3.628 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 455514943 ASPOLBGRFLDSDK-OAHLLOKOSA-N 276.355 3.638 30 20 CHED N#C[C@@H]1CCC[C@@H]1N[C@H]1CCc2ccc(Cl)cc21 459476028 LAYLKGMGQAZPLJ-CQDKDKBSSA-N 260.768 3.609 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C(C)(C)C1CCC1 460046787 LJJHWZWQUQWRFP-UHFFFAOYSA-N 286.375 3.722 30 20 CHED Cc1ccc(CNC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)c1 461908881 RVEAYNQTVZOKQP-HNNXBMFYSA-N 292.382 3.595 30 20 CHED C[C@@H](C(=O)Nc1ccc2cc[nH]c2c1)c1cccc(C#N)c1 462312456 HDNDEJOCHDFNNQ-GFCCVEGCSA-N 289.338 3.782 30 20 CHED CC[C@@]1(C)CCCN(c2c(F)cc(C#N)cc2F)C1 462959023 XNLHAGUJTLUFCR-HNNXBMFYSA-N 264.319 3.853 30 20 CHED CC(C)COc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cn1 463246051 PDDFBASIWWWYNC-KGLIPLIRSA-N 273.380 3.611 30 20 CHED C=CC[C@H](CC)NCc1coc(-c2ccccc2)n1 466388483 ZAFHFUWKIBHBFK-AWEZNQCLSA-N 256.349 3.786 30 20 CHED CC[C@H]1CCCC[C@@H]1NCCc1cccc(C#N)c1 467449748 RNXAFDINYDDSEL-IRXDYDNUSA-N 256.393 3.659 30 20 CHED CCC(=O)c1ccc(OCc2ccccc2C#N)c(F)c1 468399950 RIDFSBHOUBFGLC-UHFFFAOYSA-N 283.302 3.869 30 20 CHED C=CCOc1ccc(OCc2ccccc2OC)cc1 469931732 XMFDQVPRDVAUDN-UHFFFAOYSA-N 270.328 3.839 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 470289056 RLKRSUPUCXNQNO-LSDHHAIUSA-N 266.429 3.809 30 20 CHED C=CCCCC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 471321284 GSZNHWOETBGECT-MRXNPFEDSA-N 271.404 3.976 30 20 CHED C=CCCCCNC(=O)c1ccc(Cl)c(C)c1 471709765 TXPIVHZLGMZJTA-UHFFFAOYSA-N 251.757 3.735 30 20 CHED C=CCC[C@H](C)Nc1ccc(F)cc1-c1nnc(C)o1 475342384 LQCVHHDMYWOBCJ-JTQLQIEISA-N 275.327 3.951 30 20 CHED CCCC[C@@H](SCc1cccc(C#N)c1F)C(=O)OC 475901883 SOHFUQZOTKPDRS-CYBMUJFWSA-N 295.379 3.662 30 20 CHED C=CCC[C@@H](CC)NCc1cccc([N+](=O)[O-])c1C 478499893 SJKOBCIXHPROKI-CQSZACIVSA-N 262.353 3.738 30 20 CHED N#Cc1cc(Cl)ccc1COc1ccc([N+](=O)[O-])cc1 478929260 AIQUHSUJEIDGNZ-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CCc1cccc(NC(=O)N(CCC#N)CC2CC2)c1CC 487633545 LOPJBSGTPSQVJA-UHFFFAOYSA-N 299.418 3.969 30 20 CHED C=CC[C@@H](C(=O)Nc1cncc(C)c1)c1ccccc1 489666886 PRUZXPMYTJGRCG-MRXNPFEDSA-N 266.344 3.688 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 490005642 PNOAQGWRDKZSHM-TZMCWYRMSA-N 293.357 3.787 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H]1CCc2cc(F)ccc21 494368396 MEECPGCRUUVOPB-HOCLYGCPSA-N 288.366 3.563 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)CCCC(F)(F)F)CC1 494804038 AMXJUHRGPGTIIZ-NSHDSACASA-N 292.345 3.715 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 498285496 BFHNSUAVTQRSGE-GJZGRUSLSA-N 281.440 3.689 30 20 CHED Cc1cccc2oc(CCNc3cccc(F)c3C#N)nc12 499906049 QLXPJAVBBRFPIN-UHFFFAOYSA-N 295.317 3.802 30 20 CHED CCc1cc(OC)ccc1CNc1ccc(CC#N)cc1 501421420 JZOFNJLOEFNIAD-UHFFFAOYSA-N 280.371 3.936 30 20 CHED C=CCN(CC[C@H]1CCCN1C)Cc1ccc(Cl)s1 502727463 ZSWDAAALAGJSEP-CYBMUJFWSA-N 298.883 3.874 30 20 CHED C=CCN(Cc1ccc(OC)cc1CC)CC(F)(F)F 503953618 PWPHJOGHNYBYRW-UHFFFAOYSA-N 287.325 3.808 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1ccccc1-c1ccccc1 509079314 CTYWNSQYXJMNDM-AWEZNQCLSA-N 293.370 3.977 30 20 CHED C=CCN1CCc2c(Br)cccc2[C@@H]1C 509422650 VQNOZPWFDGKWOH-JTQLQIEISA-N 266.182 3.554 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C#N)c1C 510115395 CDQNLDUNLVOXKH-DYVFJYSZSA-N 284.403 3.908 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCC[C@@H]2CCCF)CC1 510728455 AOLRRZZUNCLNEC-NVXWUHKLSA-N 282.447 3.535 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCc1ccccc1 515873050 QENWSTWKTLTBGW-UHFFFAOYSA-N 297.373 3.973 30 20 CHED C[C@@H](C#N)CN[C@H](C)COc1ccc(Cl)c(Cl)c1 520724368 CKRRUBRHJZLISD-VHSXEESVSA-N 287.190 3.510 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1COC(C)C 525954058 XIZOOZHCIVFQEI-SFHVURJKSA-N 289.419 3.830 30 20 CHED N#Cc1c(F)cccc1OCc1cc(-c2ccccc2)no1 535876621 UHYNUAFZIHTRDN-UHFFFAOYSA-N 294.285 3.931 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(OC)cc1C 539389230 ZEKUMFSLNWZUQU-CQSZACIVSA-N 290.407 3.548 30 20 CHED COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(C)c1 539507968 QZXXVTCMONLUBL-AWEZNQCLSA-N 280.371 3.726 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCCC(F)(F)F 539959046 OWOHKYQXSZSRBU-UHFFFAOYSA-N 278.318 3.698 30 20 CHED C=CCN(C(=O)NCCCCC1CCCC1)C1CC1 540110170 CFCRQOBPXXFCTP-UHFFFAOYSA-N 264.413 3.707 30 20 CHED C=CCN(C(=O)Cc1cc(Cl)ccc1Cl)C1CC1 540133539 CQDLAAAUEUAFCC-UHFFFAOYSA-N 284.186 3.713 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3cc(C#N)cs3)C2)c1 542484389 YLJKULOSXWQYFF-MRXNPFEDSA-N 282.412 3.918 30 20 CHED C[C@H]1CCC[C@@H](C)N(Cc2ccc(CC#N)cc2)C1 543206554 RPJWPVBYQVMKTA-LSDHHAIUSA-N 256.393 3.763 30 20 CHED C=CCCCN1CCC[C@H]1c1ccc(Br)cn1 549686486 AHZGEGHBKLIDAS-AWEZNQCLSA-N 295.224 3.947 30 20 CHED C=CCOCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 549929662 KPKRQYRAKKJCEK-DAXOMENPSA-N 279.811 3.829 30 20 CHED C=CCC[C@H](NC[C@@H]1CCC[C@H]1OC)c1ccco1 552061267 DHWWTYLVFLOYOR-SOUVJXGZSA-N 263.381 3.692 30 20 CHED COc1ccc(CCC2CCN(C(C)(C)C#N)CC2)cc1 552717602 UPYAWLAUFXLCKD-UHFFFAOYSA-N 286.419 3.642 30 20 CHED CC(C)(CNC[C@@H](C#N)CCC#N)c1cccc(Cl)c1 554552412 XCPWLULJYZHRCY-CYBMUJFWSA-N 289.810 3.651 30 20 CHED C=C(C)CCc1noc(C2(C(F)F)CCCC2)n1 554837497 RXZLTHNJGRZXEO-UHFFFAOYSA-N 256.296 3.655 30 20 CHED Cc1ncsc1CCSc1cccc(F)c1C#N 562475565 KWCOUMXEGXTZDH-UHFFFAOYSA-N 278.377 3.797 30 20 CHED CCN(CC)CCS[C@H](C#N)Cc1ccc(C)cc1 563112977 LTIPRMFYZVVKAY-INIZCTEOSA-N 276.449 3.505 30 20 CHED CCCC(C)(C)NC(=O)Nc1scc(C)c1C#N 563357288 SWNGKRFPMKPRTH-UHFFFAOYSA-N 265.382 3.628 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(C)cs2)cc1 563360014 WUTFXSTXVZPFHZ-HNNXBMFYSA-N 298.411 3.956 30 20 CHED CCC(CC)N(CC)C(=O)c1ccc(Cl)c(C#N)c1 564239722 ATRQHLIPGNZLHO-UHFFFAOYSA-N 278.783 3.862 30 20 CHED C=CCn1c(CCCC)nnc1N1CCc2ccccc21 564362509 HWNDRRMOJWRYEB-UHFFFAOYSA-N 282.391 3.501 30 20 CHED C[C@@H](c1nc2ccccc2o1)N1CCC(CCC#N)CC1 567791204 KFLJNDVWIGOZTE-ZDUSSCGKSA-N 283.375 3.905 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H]1CCCCC(F)(F)C1 569468184 DQWJTCOCGWGZRF-LBPRGKRZSA-N 273.367 3.921 30 20 CHED Cc1nsc(Nc2ccc(OC(F)F)c(F)c2)c1C#N 569844791 JGPSGPQEMKGLDH-UHFFFAOYSA-N 299.277 3.807 30 20 CHED C[C@@H]1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C[C@H]1C 573143932 HNFIMQQTDYPLQS-MHRLRVJTSA-N 268.404 3.960 30 20 CHED C[C@@H]1CCN(c2cccc(C(F)F)c2C#N)CC1(F)F 575762372 ROSVRUNJKOZLIN-SECBINFHSA-N 286.272 3.977 30 20 CHED CCCC[C@@H](CC)C(=O)NC1(c2cccc(C#N)c2)CC1 576168276 ZYPMXNCLCFCCTF-OAHLLOKOSA-N 284.403 3.880 30 20 CHED C=CC1CCN(C(=O)NCC2(C)CCCCC2)CC1 578058815 IBNXMONGAONKLG-UHFFFAOYSA-N 264.413 3.564 30 20 CHED N#CCC[C@H](NCc1ccc2c(n1)CCC2)c1ccccc1 580165340 SQRVRLLJOJKMND-SFHVURJKSA-N 291.398 3.705 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 581534776 TYSJGCGROZODJD-UNQWWWNPSA-N 296.414 3.604 30 20 CHED N#Cc1ccsc1NC(=O)NCc1ccc(Cl)cc1 585201701 UZFDOLFXPXVEPL-UHFFFAOYSA-N 291.763 3.595 30 20 CHED CCOCC(C)(C)CNc1nc(C(C)(C)C)ccc1C#N 588858852 STXRUMQRGKJXJY-UHFFFAOYSA-N 289.423 3.725 30 20 CHED Cc1ccc(C#N)nc1N1CCC[C@@H]1c1cccs1 589102957 GCSRPMPOOPFPMP-CYBMUJFWSA-N 269.373 3.665 30 20 CHED Cc1ccncc1[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 589342229 WHSKTNVNJPKXOG-FZKQIMNGSA-N 277.371 3.600 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)CCCC1CC1 589787161 HTMCYZHTJFBDIM-SFHVURJKSA-N 284.403 3.598 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1F 590982076 LWMZVPXIUKOPCI-KGLIPLIRSA-N 288.366 3.877 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 593657096 LPCBKDPTMIALCI-OCCSQVGLSA-N 270.376 3.713 30 20 CHED C=CCCSCCNCc1ccc(Cl)s1 594959706 ALYHCKZHDKRAEB-UHFFFAOYSA-N 261.843 3.800 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)c1ccc(C#N)cc1 595461992 RYUFKKZGNJCMLA-JFOKOBIRSA-N 297.402 3.592 30 20 CHED CCC(CC)[C@H]1C[C@H](Nc2nc(C#N)ccc2C)CCO1 596184599 CMCOEJTWNZSEFF-GDBMZVCRSA-N 287.407 3.657 30 20 CHED N#Cc1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1 598150445 FLJLOTSHFAQSBY-KRWDZBQOSA-N 282.387 3.601 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)C1(C(F)(F)F)CCCCC1 598837193 GAPNQYMBPIOOEO-SNVBAGLBSA-N 290.329 3.554 30 20 CHED Cc1sccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 601826111 SQGOPPQMYWDMQC-UONOGXRCSA-N 282.368 3.670 30 20 CHED CC(C)c1coc(NC(=O)c2ccc(C(C)(C)C#N)cc2)n1 602393985 JMBCSBGSQVEZMG-UHFFFAOYSA-N 297.358 3.851 30 20 CHED CCc1ccc(NCCOc2ccc(C#N)cc2)cc1 602396778 LXURZDOVFFCATI-UHFFFAOYSA-N 266.344 3.612 30 20 CHED C[C@@H](CCC#N)CN1Cc2ccccc2C(C)(C)C1 602469810 FCTDRTWWXTZRIW-AWEZNQCLSA-N 256.393 3.720 30 20 CHED C[C@@H](CCC#N)CN1CCS[C@@H](c2ccccc2)C1 602472234 QAXHCBZRUHQITF-GOEBONIOSA-N 274.433 3.716 30 20 CHED C[C@@H](CCC#N)CN[C@@H](c1ccccc1)c1cccnc1 602533803 DKOSDQAADLKSBD-YJBOKZPZSA-N 279.387 3.700 30 20 CHED N#Cc1cc2c(nc1NCCCCc1ccccc1)CCC2 603843486 CJLPZMBBEVMZDE-UHFFFAOYSA-N 291.398 3.877 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ccc(C#N)cn2)c(C)c1 604122873 CKCLVHGYJUWCGI-CQSZACIVSA-N 265.360 3.768 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2ccccc2)CCCC1 604880013 IVINCCSZCWQQMH-AWEZNQCLSA-N 257.377 3.579 30 20 CHED C=CCCCSCC(=O)Nc1ccc(C)cc1F 609804992 IEUUPTABLHNRJV-UHFFFAOYSA-N 267.369 3.772 30 20 CHED CCCCSCCC(=O)N(C)c1ccc(C#N)cc1F 610043685 IVHSNTXDVJNYIZ-UHFFFAOYSA-N 294.395 3.584 30 20 CHED N#Cc1csc(CN2CCCO[C@@H](c3ccccc3)C2)c1 611268329 YVLDTBUPGARAPW-QGZVFWFLSA-N 298.411 3.583 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 611392950 YGGYORGSNXNUFM-PIGZYNQJSA-N 295.386 3.891 30 20 CHED C[C@@]1(C#N)CCCN(CCc2c(F)cccc2Cl)C1 612167745 WGUJMMXBZMUPIL-HNNXBMFYSA-N 280.774 3.647 30 20 CHED CC(C)(C#N)CN[C@H]1CC[C@](C)(c2ccccc2)C1 615136335 JFGCXRWMNSWJSA-RDJZCZTQSA-N 256.393 3.636 30 20 CHED CC[C@H](C)[C@H](C)NCc1ccc(C#N)c(Cl)c1 619754830 LRTVWALDPLOMFC-QWRGUYRKSA-N 250.773 3.736 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cccc2cccnc12 620863319 ONGIPPCQOZJLKD-UHFFFAOYSA-N 282.387 3.638 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(OC)c1C 626745271 RROMIPAPSLGUEO-GFCCVEGCSA-N 276.380 3.870 30 20 CHED C=C(C)CN(C)C(=O)C1(c2ccccc2C)CCCC1 637768212 ATIQDDBVUVVGEJ-UHFFFAOYSA-N 271.404 3.841 30 20 CHED C=CCCN[C@@H]1CCCSc2ccc(OC)cc21 658113941 JRRDDGNZWHBFIT-CQSZACIVSA-N 263.406 3.788 30 20 CHED C=CCC1(NCc2csc([C@@H](C)OC)n2)CCCC1 661862928 JAEKPCPJABJWSJ-GFCCVEGCSA-N 280.437 3.829 30 20 CHED C=CCCNC(=O)N1CC[C@H](c2ccccc2)C1(C)C 665941111 TYEBDCQONCAIPI-OAHLLOKOSA-N 272.392 3.540 30 20 CHED C=CC[C@H](C)N[C@H]1CN(Cc2ccccc2)C(C)(C)C1 678929822 OQGGXVKERYNWDC-DOTOQJQBSA-N 272.436 3.594 30 20 CHED C#CCN(C(=O)c1cc2c(F)cccc2s1)C(C)C 688789061 RKKGLGZCDZVBPL-UHFFFAOYSA-N 275.348 3.524 30 20 CHED C#CCN(C(=O)Nc1cc(Cl)ccc1Cl)C(C)C 688897295 NIZWUZGUTZAILC-UHFFFAOYSA-N 285.174 3.869 30 20 CHED C#C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)C(C)(C)C 702243603 ITIXNTOWCOKQQE-CQSZACIVSA-N 289.806 3.536 30 20 CHED C#Cc1cccc(NC(=S)N(C)Cc2cccc(F)c2)c1 726439709 IUTCAXHKGAOJAO-UHFFFAOYSA-N 298.386 3.636 30 20 CHED C#CCCCOC(=O)c1ccc(SC(F)F)cc1 727040571 KSQMCUDTWCZZBU-UHFFFAOYSA-N 270.300 3.572 30 20 CHED Cc1ccc(CC(=O)O[C@H](C)c2cccc(C#N)c2)cc1 727640526 IUBVGPPJFBBZIC-CQSZACIVSA-N 279.339 3.714 30 20 CHED C[C@@H](NN=Cc1ccc(N(C)C)c(F)c1)c1ccccc1 727651210 NEVMIAOGDHLWJB-CYBMUJFWSA-N 285.366 3.576 30 20 CHED Cc1cccc(C=NNc2cccc3cnccc23)c1 728432075 MBFBSMWMGULDDO-UHFFFAOYSA-N 261.328 3.989 30 20 CHED CCN(CCC#N)C(=O)/C=C\c1ccc(C(C)(C)C)cc1 728611492 JDPKFITYIUSKBC-XFXZXTDPSA-N 284.403 3.759 30 20 CHED N#CCOc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 731214498 QRLYLVBPMORRTM-UHFFFAOYSA-N 296.345 3.507 30 20 CHED C=CCOc1ccccc1C/N=C/c1c(O)cccc1OC 731937069 GOCGCCUELXNXSY-CPNJWEJPSA-N 297.354 3.585 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ncoc2C(C)C)s1 731978724 QHHDMAMSLURXTH-UHFFFAOYSA-N 289.360 3.546 30 20 CHED C=CC1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 732003201 LUJMWGGZPGUCKX-YVMONPNESA-N 275.779 3.778 30 20 CHED C=CC[C@@H](NC(=O)N(C)[C@H](C)CCC)c1ccncc1 734683371 LMRWULXJZTVZCB-UKRRQHHQSA-N 275.396 3.529 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)OCCCCC#N 734909346 UQCHKBIFIZXKMT-CQSZACIVSA-N 259.349 3.726 30 20 CHED COc1ccc(CCNN=C2C3CC4CC(C3)CC2C4)cc1 737439946 POJDBKMOQCFGNR-UHFFFAOYSA-N 298.430 3.639 30 20 CHED Fc1cc(F)cc(NN=Cc2nccc3ccccc23)c1 740761804 LQOKJYZRZVKCCA-UHFFFAOYSA-N 283.281 3.959 30 20 CHED CCCCCCCC(=O)N(C)Cc1cccc(C)n1 741140637 MDGPNHHIJIYFMJ-UHFFFAOYSA-N 262.397 3.709 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(F)cc2F)C12CCC2 741159879 FQWPWSWSPKEAQB-CQSZACIVSA-N 280.318 3.712 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1ccc(C)s1 741763870 IOOJDJSADLNBKL-UHFFFAOYSA-N 280.784 3.644 30 20 CHED C=CCOc1ccc(C(=O)NCc2c(C)cccc2F)cc1 742725273 SELXVVBHWFYVTB-UHFFFAOYSA-N 299.345 3.629 30 20 CHED C=CCOc1ccc(OC(=O)Cc2ccc(F)cc2)cc1 742861670 BZZXTWKFBBPJLX-UHFFFAOYSA-N 286.302 3.539 30 20 CHED CC#CCOC(=O)CC1CCC(c2ccccc2)CC1 744983581 GHYDSPWVQFCAOY-UHFFFAOYSA-N 270.372 3.917 30 20 CHED CC(C)c1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 748003355 NLPXLUZCXWFNKM-UHFFFAOYSA-N 280.327 3.640 30 20 CHED COCCON=C(CC(C)(C)C)c1ccc(F)cc1 748789993 WFJPIUYRUZWMJC-UHFFFAOYSA-N 267.344 3.629 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1ccccc1C#N 749341078 KHXIJXWASFCUDQ-LBPRGKRZSA-N 277.389 3.523 30 20 CHED CCCCCCCCCC(=O)NO[C@@H]1CCCCO1 749618493 JAQQPAULUDORMK-OAHLLOKOSA-N 271.401 3.702 30 20 CHED C#C[C@@H](CC)NC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 754374808 RAVLPAFUVAHZGJ-JPLJXNOCSA-N 295.426 3.564 30 20 CHED CC(=NNc1ccc(C(F)(F)F)nn1)c1ccc(C)cc1 754709738 OCHQSVBUGUJBON-UHFFFAOYSA-N 294.280 3.640 30 20 CHED CC(C)(C)CC=NNc1ncccc1C(F)(F)F 755643115 NVSROPHBJLYUTD-UHFFFAOYSA-N 259.275 3.934 30 20 CHED Cc1ccnc(NN=Cc2nc(-c3ccccc3)cs2)c1 755770656 NLYBUJLLLUTCPU-UHFFFAOYSA-N 294.383 3.960 30 20 CHED CCCCO[C@@H]1CC(=NO[C@@H]2CCCCO2)C1(C)C 755821402 QWFKXWYEUNYMLU-ZIAGYGMSSA-N 269.385 3.501 30 20 CHED CC1(C)CCCCC1=NNc1nc2ccccc2[nH]1 757559907 ADANEKJYFHEUJH-UHFFFAOYSA-N 256.353 3.931 30 20 CHED C#CCNC(=S)Nc1cc(C)ccc1Oc1ccccc1 758246015 JBDHZTFKCGEILE-UHFFFAOYSA-N 296.395 3.707 30 20 CHED CCCCCCCC(=O)N[C@H](C)CNc1ccccc1 758348584 RJRPANLXULQMBG-OAHLLOKOSA-N 276.424 3.964 30 20 CHED C[C@H](C#N)Oc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 758453386 HZULSXSODFEKDG-SECBINFHSA-N 299.280 3.799 30 20 CHED C#CCCCC(=O)OCc1ccc(Cl)cc1Cl 758543471 GTSMRTLWAHMDPU-UHFFFAOYSA-N 271.143 3.840 30 20 CHED Fc1ccc(C=NOC[C@H]2CCOC2)c(Cl)c1Cl 761832218 YEJYPFITANEDTQ-QMMMGPOBSA-N 292.137 3.520 30 20 CHED C[C@@H]1CC(=NNc2c(Cl)cccc2Cl)CCN1C 763180763 VFWGVLJFTMHKOS-SECBINFHSA-N 286.206 3.875 30 20 CHED CC[C@H](C(=O)Oc1ccc(C#N)cc1)c1ccc(F)cc1 763364378 VFQNLIQOZFULLS-INIZCTEOSA-N 283.302 3.797 30 20 CHED CCSc1cc(Cl)ccc1C(=O)O[C@H](C)C#N 764622169 NZANEDNOEMWERY-MRVPVSSYSA-N 269.753 3.521 30 20 CHED CC/C=C/CCOC(=O)C(C)(C)Oc1ccc(C#N)cc1 766287199 ZLBLKZMJSYLBTM-AATRIKPKSA-N 287.359 3.615 30 20 CHED CCOc1ccc(OCCCCC(C)(C)C#N)c(C=O)c1 767055657 IEKSCJWFPVQFKC-UHFFFAOYSA-N 289.375 3.997 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(COC(C)(C)C)cc1 767090250 BVIKQZASAQJWEV-UHFFFAOYSA-N 287.403 3.990 30 20 CHED CCCCOc1ccccc1/C=C/C(=O)c1cnn(CC)c1 767360023 JLGKYEXPUIDCMQ-ZHACJKMWSA-N 298.386 3.978 30 20 CHED CCON=Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl 767461887 KWLAHYSUTWKMII-UHFFFAOYSA-N 298.173 3.858 30 20 CHED Cc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1 768375336 UNGBUNXRDIFUFF-UHFFFAOYSA-N 259.349 3.872 30 20 CHED COc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1F 768408357 BVONEGLAISMHGC-UHFFFAOYSA-N 293.338 3.711 30 20 CHED N#C[C@@H](C(=O)[C@H](F)c1ccccc1)c1nc2ccccc2o1 769290295 CFIWHLVNBUXEFE-SWLSCSKDSA-N 294.285 3.715 30 20 CHED COc1ccsc1C=NNc1c(C)cccc1F 769839619 FMFHPZAQFAPEAZ-UHFFFAOYSA-N 264.325 3.650 30 20 CHED CC(=O)c1ccc(Oc2snc(Cl)c2C#N)c(C)c1 771198021 WMCOKELFBPEBKF-UHFFFAOYSA-N 292.747 3.972 30 20 CHED C#CCOc1ccc(NC(=O)N[C@H]2CC23CCCCC3)cc1 771457500 LYTKANZZKOBVQH-INIZCTEOSA-N 298.386 3.543 30 20 CHED C#CCN(Cc1ccsc1)[C@H]1CCc2ccccc21 772598243 JWVIPNCSGOPLDL-KRWDZBQOSA-N 267.397 3.871 30 20 CHED C=C(CC)COC(=O)CCc1ccc(OC(F)F)cc1 773498746 WPDNCOSMKDPJQF-UHFFFAOYSA-N 284.302 3.730 30 20 CHED Cc1cc(F)cc(C(=O)O[C@H](C#N)C2CCCCC2)c1 776390827 IIQZNIIZMGGXFK-OAHLLOKOSA-N 275.323 3.763 30 20 CHED FC(F)(F)CCON=Cc1cccc2cccnc12 777463230 AMNMSJHCNACFOC-UHFFFAOYSA-N 268.238 3.538 30 20 CHED C#CCCCCCC(=O)Nc1cc(C)nn1-c1ccccc1 779763860 VROIBPGLBDODDJ-UHFFFAOYSA-N 295.386 3.703 30 20 CHED CC(CCCCN(C)C)=NNc1cc(C)ccc1F 781126016 ZJQWWDQYKHXSCM-UHFFFAOYSA-N 265.376 3.654 30 20 CHED CC[C@@H]1C[C@H](CC(=O)O[C@H](C#N)C2CCCCC2)CCO1 781776544 HFCSGWYOUUVBAP-FVQBIDKESA-N 293.407 3.597 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@@H](C(C)C)C2)c1 782015309 GNEQBCITRVFIDP-OAHLLOKOSA-N 270.376 3.568 30 20 CHED CC(C)(C)CCNN=Cc1cn[nH]c1-c1ccc(F)cc1 782902510 BGYNSZYVLQQBCC-UHFFFAOYSA-N 288.370 3.576 30 20 CHED COc1ccc(NN=Cc2ccc3nc(C)ccc3c2)cc1 783522553 UAVMFDGFXOLENR-UHFFFAOYSA-N 291.354 3.998 30 20 CHED C=CCCCCCOC(=O)c1ccncc1Br 784166656 BEBMTQXVWWKRRF-UHFFFAOYSA-N 298.180 3.747 30 20 CHED Cc1sc(Cl)nc1C(=O)OCCCC(C)(C)C#N 784994246 VSOSLYNZUSPJPM-UHFFFAOYSA-N 286.784 3.592 30 20 CHED C=CCC[C@H](NC[C@H](O)c1cc(F)cc(Cl)c1)C1CC1 787032414 DBMMRQHZBNVSSI-HOTGVXAUSA-N 297.801 3.847 30 20 CHED CC1(C)C(=NOC[C@@H]2CCOC2)C[C@@H]1c1ccccc1 788030068 KFWLUAIAQRQSNF-UKRRQHHQSA-N 273.376 3.609 30 20 CHED C#CCC1(C(=O)NCc2ccc(C)c(F)c2)CCCCC1 788148917 KTKXOZUGGCUZMZ-UHFFFAOYSA-N 287.378 3.724 30 20 CHED Oc1ccccc1/C=N\[C@@H]1C[C@H]1c1cccc(F)c1 788317689 JXSLMVMWWWUARO-CKUJSUPYSA-N 255.292 3.506 30 20 CHED CC(C)[C@H]1CCCCC1=NN[C@H](CO)c1ccccc1 788460075 JDZMDEVPWPGEKA-NVXWUHKLSA-N 274.408 3.512 30 20 CHED Cc1cc(C=NNc2cccc(F)c2[N+](=O)[O-])ccc1F 790306704 NJGYNOXUCFYLBV-UHFFFAOYSA-N 291.257 3.627 30 20 CHED COc1cc(OC(=O)c2occc2C(C)C)ccc1C#N 791034798 OCKXIBNGIOCKNE-UHFFFAOYSA-N 285.299 3.502 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1C1CCCCC1 791070141 RQLDROPJBKPRHO-CVEARBPZSA-N 276.424 3.543 30 20 CHED CC(CCc1ccc(F)cc1F)=NNc1ncccc1F 794983585 IJBRCGWHBFNORJ-UHFFFAOYSA-N 293.292 3.920 30 20 CHED N#CC[C@@H](CC(=O)OC/C(Cl)=C\Cl)c1ccccc1 795992997 RZTCMIFFHWGVBP-OQZOHAQUSA-N 298.169 3.936 30 20 CHED C#CCN(Cc1nc(-c2ccc(C)cc2)cs1)C1CC1 796004964 LSGMWWDZZKUWSP-UHFFFAOYSA-N 282.412 3.716 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)OCCC(C)(C)C#N 796323243 FPALBHODSLBSPL-OLZOCXBDSA-N 251.370 3.686 30 20 CHED CC(C)c1occc1C(=O)OCCOc1ccc(C#N)cc1 796392894 BSXSUCLCPVSXAB-UHFFFAOYSA-N 299.326 3.510 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc(C(F)(F)F)cc1 796856298 LPMTYHWFTTYAGC-ZDUSSCGKSA-N 285.265 3.688 30 20 CHED CCc1onc(-c2ccccc2)c1C(=O)O[C@@H](CC)CC#N 796885500 APLWQTPJLIKFPF-ZDUSSCGKSA-N 298.342 3.753 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)C[C@@H]2C=CCC2)s1 797571383 OFCOTHWUALOOOA-VXGBXAGGSA-N 288.416 3.973 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1ccc2[nH]ncc2c1 797786337 RIOIARUQMYVBCS-UHFFFAOYSA-N 294.383 3.793 30 20 CHED Cc1ncsc1/C=C\C(=O)c1ccnn1-c1ccccc1 798371896 GYLYHXIALVGABL-FPLPWBNLSA-N 295.367 3.533 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798482049 GUJCREHQCZRKCZ-GWCFXTLKSA-N 298.308 3.617 30 20 CHED Cc1ccc(C(=O)OCCCSC(C)(C)C)cc1C#N 799620542 DZRZRUZCDOXZAB-UHFFFAOYSA-N 291.416 3.945 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)c2ccsc2)c1 800821295 MNJLXNDDWSHHLF-LLVKDONJSA-N 286.425 3.777 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)c1cc(F)ccc1F 802749829 OLCBCVBHKYLXSF-VHSXEESVSA-N 271.332 3.688 30 20 CHED CCCCCCCCCCNC(=O)c1cnccc1C#N 805189137 NNFPHZQWUWQDOB-UHFFFAOYSA-N 287.407 3.824 30 20 CHED N#CCSCCCOC(=O)/C=C/c1ccc(Cl)cc1 805342435 YYCKLJGUJORXMQ-QPJJXVBHSA-N 295.791 3.543 30 20 CHED C=CCCCCCCNC(=O)NCc1ccncc1CC 806004078 CKTJOSXXUSVJCP-UHFFFAOYSA-N 289.423 3.580 30 20 CHED C=CCCCCCCNC(=O)N1Cc2ccccc2C1 806004890 UEXOLKJINSYSJR-UHFFFAOYSA-N 272.392 3.848 30 20 CHED Cc1cc(/C=C2\Cc3nc(Cl)ccc3C2=O)ccc1C#N 806577884 HWOJPZBUSHHFQH-NTUHNPAUSA-N 294.741 3.738 30 20 CHED C#C[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)C(C)(C)C 807878938 IHRSWHCATMDTAJ-CQSZACIVSA-N 298.411 3.588 30 20 CHED C#C[C@H](NC(=O)C[C@@H](CC)c1ccccc1)C(C)(C)C 807881560 NDTMIQMMYUFYIO-ZBFHGGJFSA-N 271.404 3.734 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)ccc2C)[C@@H]1SC 807955051 LYDWUIHWKRPGNE-CABCVRRESA-N 278.421 3.612 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)cc(C)c2)[C@H]1SC 807955140 OIJZGSMXXBFIKZ-HUUCEWRRSA-N 278.421 3.612 30 20 CHED CCC(=NN[C@H]1CCSC1)c1cccc(Cl)c1F 808003611 QQAMUUJJICMIIZ-VIFPVBQESA-N 286.803 3.688 30 20 CHED CCn1ccnc1C=NNc1c(C)cccc1C(C)C 812233167 SGGUIZGTAXVISN-UHFFFAOYSA-N 270.380 3.781 30 20 CHED CC(=NOCC1CC1)c1cccc(C(F)(F)F)c1 814243023 BJJZIYQPXWOFPQ-UHFFFAOYSA-N 257.255 3.856 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1cccc(C(=O)O)c1 814687235 CXASREBKADGQRR-ZDUSSCGKSA-N 285.347 3.503 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1cccc(CO)c1 814818892 NSUFNJQHGHGROJ-UHFFFAOYSA-N 292.741 3.808 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CC(c3ccccc3)C2)c1 814891779 UGJNBQYESLZTSH-UHFFFAOYSA-N 296.761 3.952 30 20 CHED CC(Cc1ccc(Br)cc1)=NOC1CCC1 814936291 JASJELQPVSDXCR-UHFFFAOYSA-N 282.181 3.937 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cccnc1Cl 815637373 UUSMQICSUJKTLC-LLVKDONJSA-N 252.789 3.988 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCC(C1CCC1)C1CCC1 816082146 RTTUDYAYAJTJHM-UHFFFAOYSA-N 298.386 3.635 30 20 CHED C=CCC(F)(F)C(=O)N(C)Cc1ccc(F)c(Cl)c1 816490893 NQCGJQNRTVPZHH-UHFFFAOYSA-N 291.700 3.649 30 20 CHED C=CCC(C)(C)CNC(=O)C(F)(F)c1ccc(F)cc1 817463084 RNQUWPWQKVFVQT-UHFFFAOYSA-N 285.309 3.636 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)c1ccccc1 819430307 CQKSNHXLRLVACO-XIRDDKMYSA-N 269.388 3.694 30 20 CHED N#CCC[C@@H](NCc1ccc(C(=O)O)cc1)c1ccccc1 821320427 PVTADIHAVNLORC-QGZVFWFLSA-N 294.354 3.519 30 20 CHED C[C@@]1(CNc2ccc(Cl)c(C#N)n2)CC1(Cl)Cl 828798160 GTMJHOGPWYYECG-JTQLQIEISA-N 290.581 3.602 30 20 CHED CCON(Cc1ccccc1)Cc1ccc(CC#N)cc1 832800639 WRMOPHNPPYQSDE-UHFFFAOYSA-N 280.371 3.706 30 20 CHED C#Cc1cccc(CN[C@@H](CC)c2cccs2)c1 834902086 DNHIODXRVSHURH-HNNXBMFYSA-N 255.386 3.970 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(F)cc2N(C)C)c1 834903828 TZWIHRQMWYMGKI-CQSZACIVSA-N 296.389 3.724 30 20 CHED COCCC(=NNc1cc(C(F)(F)F)ccn1)C(C)C 834984745 YGUGDJDMKOQDTP-UHFFFAOYSA-N 289.301 3.561 30 20 CHED C=CCCC(CCC)=NNc1ncc(F)cc1F 835024107 YLQMJINZZDLGHW-UHFFFAOYSA-N 253.296 3.894 30 20 CHED CC[C@@H](CC#N)OC(=O)C1(Cc2cccc(Cl)c2)CC1 835341478 VCFGFFPKNRHWGX-AWEZNQCLSA-N 291.778 3.898 30 20 CHED C#Cc1ccc([C@H](OC(=O)CC2CC2)C(F)(F)F)cc1 836081443 VNILOONLAWGFGC-AWEZNQCLSA-N 282.261 3.615 30 20 CHED CC(C)(CC#N)CNC(=O)C(C)(C)C1CCCCC1 837889073 KAZKKZVIGDENJQ-UHFFFAOYSA-N 264.413 3.649 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c2ccccc2n1 839048274 AAZDQNSCHBRLFB-KBPBESRZSA-N 294.354 3.782 30 20 CHED Cc1nc2ccccc2cc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839058391 OQRXLJKTYZYYGD-HIFRSBDPSA-N 294.354 3.782 30 20 CHED COc1ccc(Cl)cc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839059819 XQGUWGGSIZFMNH-ZYHUDNBSSA-N 293.750 3.588 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)C1(F)CCCC1 839435856 QFXMMMQQQIHKAO-UHFFFAOYSA-N 282.318 3.932 30 20 CHED C=CC[C@H](OC(=O)C[C@H](C)c1cnn(C)c1)c1ccccc1 842339154 KUYNRBXYRBSCAF-YOEHRIQHSA-N 298.386 3.774 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](c2cccnc2)C1 843635883 VBSLQRBHPCTSMT-MRXNPFEDSA-N 274.408 3.758 30 20 CHED C=C(C)CONC(=O)Nc1cc(C(C)(C)C)ccc1OC 844485601 GPBALFMZBPJJJO-UHFFFAOYSA-N 292.379 3.622 30 20 CHED C=C[C@H](C)ONC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 846548436 OBMASSXSCJTIGQ-HRCADAONSA-N 297.439 3.764 30 20 CHED Cc1cc(C#N)ccc1N1CCC(OC(C)(C)C)CC1 846748708 XZPJMXPOFWLWIP-UHFFFAOYSA-N 272.392 3.651 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 850345468 BDGIMNKEQGQTEH-LSDHHAIUSA-N 296.336 3.811 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851206462 SKRXVQZBAHJTOE-LBPRGKRZSA-N 288.391 3.999 30 20 CHED Cc1cccc(C2(C(=O)O[C@@H](C)CC(C)(C)C#N)CC2)c1 851209595 HOUPIDXYOMQKKC-AWEZNQCLSA-N 285.387 3.898 30 20 CHED N#CC[C@@H](CC(=O)OC/C=C\C(F)(F)F)c1ccccc1 851290432 OFZAOOYJBBGTMF-UKOWJOKBSA-N 297.276 3.736 30 20 CHED Cc1cc(NCCC#N)ccc1NC(=O)OC(C)(C)C 853130458 ZKSGSECZRRTMSV-UHFFFAOYSA-N 275.352 3.668 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](CC#N)C1 853761515 STSPNYQLQVWNLL-LLVKDONJSA-N 293.754 3.687 30 20 CHED C=CCC1(C(=O)OCc2ncccc2Cl)CCCC1 859714628 LVEVKBUJGQKKEF-UHFFFAOYSA-N 279.767 3.915 30 20 CHED CC(C)(C)c1cnc(S[C@@H](C#N)C2CC2)s1 865359505 MWCFTBGUUJLAOD-VIFPVBQESA-N 252.408 3.835 30 20 CHED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@H](O)c1ccccc1 872133220 NUTSZLFNNMALAL-ZOCIIQOWSA-N 294.398 3.721 30 20 CHED N#CCCCCCC(=O)OCc1cccc2ncccc12 873392886 IFRXQIKFXBAGQM-UHFFFAOYSA-N 282.343 3.752 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccccc1O 877755771 MEKPMPHTAOWNFX-VEAWUBTESA-N 258.365 3.515 30 20 CHED N#CCC1(CN2CCC[C@@H]2c2ccc(F)c(F)c2)CC1 878101514 SMEVKTAZJUMUEF-OAHLLOKOSA-N 276.330 3.796 30 20 CHED CC(C)(C)SCCCN(CCC#N)Cc1ccco1 878159747 TXQHJSKTDUPXCD-UHFFFAOYSA-N 280.437 3.917 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 879153249 DHEBYOOLUSWLOF-JSGCOSHPSA-N 293.432 3.639 30 20 CHED Cc1ccc(NCc2cnccc2C(C)(C)C)c(C#N)n1 882456913 MXYFWWOHKOKIIU-UHFFFAOYSA-N 280.375 3.566 30 20 CHED N#Cc1ccc(CNc2ccc(N3CCCCC3)c(F)c2)o1 883376607 OYTCMDMNFGIAHI-UHFFFAOYSA-N 299.349 3.893 30 20 CHED N#Cc1ccc(CNC(=O)CCCCc2ccccc2)cc1 887966655 ZYMYMOHQCVNIOI-UHFFFAOYSA-N 292.382 3.587 30 20 CHED C#CCC(C)(C)C(=O)N1Cc2ccccc2[C@@H]1CC 890613574 GJICCSRYKRFWED-HNNXBMFYSA-N 255.361 3.529 30 20 CHED C=C1CCC(C(=O)N(C)Cc2c(F)cccc2F)CC1 891184267 MHOBBTNHSFHWIG-UHFFFAOYSA-N 279.330 3.670 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(C(F)(F)F)cs1 892511843 KJHIDWYXRXRYPK-SSDOTTSWSA-N 278.299 3.703 30 20 CHED C=C1CCC(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 893169932 DACLKCIFCRNVFM-UHFFFAOYSA-N 276.286 3.521 30 20 CHED CSC1(c2noc(C[C@@H](CC#N)c3ccccc3)n2)CC1 896780564 GCYABSINUXHXNU-CYBMUJFWSA-N 299.399 3.662 30 20 CHED CC1(C)Nc2ccccc2[C@@H]1NCc1cccc(C#N)c1 903947700 FOEAZXHTBARMER-KRWDZBQOSA-N 277.371 3.593 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC#N)c1ccc(F)cc1C 906081454 LNAGXVIAWHPCQL-ZDUSSCGKSA-N 274.339 3.593 30 20 CHED COc1ccc(O)c(C(C)=NNc2cc(F)cc(F)c2)c1 920376791 SSIRONQHZSNEAC-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C=C[C@](C)(CC)C(=O)N(Cc1ccccn1)CC(C)C 928736432 JENQPNBUGOLNHS-QGZVFWFLSA-N 274.408 3.669 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnc2c(cnn2C(C)C)c1 929551961 LQWVPFHXTCGYRP-LBPRGKRZSA-N 286.379 3.553 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1OCCCOC 930491978 AHMKWBOAAYUOSD-AWEZNQCLSA-N 291.391 3.643 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H](C)c1ccccc1C 935422203 LHIREKXWURRELJ-CYBMUJFWSA-N 297.320 3.513 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1cc2ccccc2[nH]1 1116255953 QTHIWTZDLFFXEB-UHFFFAOYSA-N 282.387 3.895 30 20 CHED CC(C)(C)[C@@H]1CCCC(=NNCC2CCOCC2)CC1 1116336781 GSGHMDGOXFGJBT-OAHLLOKOSA-N 280.456 3.985 30 20 CHED COc1ccc(NN=C(C)Cc2ccccc2Cl)nc1 1116684836 XIFLDUXLJABNGS-UHFFFAOYSA-N 289.766 3.774 30 20 CHED Cc1cccnc1COc1nc2c(cc1C#N)CCCCC2 1119673891 ZNYRMVCGZSJQJQ-UHFFFAOYSA-N 293.370 3.505 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCCc1sccc1C 1121252972 KNYBYRDUOXSVAS-CYBMUJFWSA-N 278.421 3.530 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cc3cccc(Cl)c3o2)C1 1122720438 IJJZTGMCHLVLHB-KOLCDFICSA-N 289.718 3.935 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)COC(C)(C)C)c1cccs1 1123107832 UXKRSTZOCDLSGC-BXUZGUMPSA-N 295.404 3.697 30 20 CHED C=C(CC)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 1123685216 UCHHOHMBPOLEFS-NSHDSACASA-N 293.235 3.651 30 20 CHED Cc1ccc2occ(CC(=O)Nc3cccc(C#N)c3)c2c1 1124203573 LISVYJVQZJCNOT-UHFFFAOYSA-N 290.322 3.794 30 20 CHED C[C@@H](NC(=O)c1ccc(CF)cc1)c1ccc(C#N)cc1 1124915429 KLJZGLITEMFIMI-GFCCVEGCSA-N 282.318 3.519 30 20 CHED N#Cc1cc(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cs1 1135261394 ZJXPAIYCZSQAOR-WFASDCNBSA-N 288.416 3.566 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cc(C)cc(C)n1 1190349047 QFXQLPPYMWKBFC-UHFFFAOYSA-N 293.414 3.982 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 1196400894 ZKNVRSKDVFDVMY-ZIAGYGMSSA-N 271.364 3.506 30 20 CHED C[C@@H]1CCC[C@H](CNCc2ccc(C#N)cc2F)[C@@H]1C 1202202517 DHQSKHWLRJTKBL-UMVBOHGHSA-N 274.383 3.859 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccccc1SC 1261646940 CDHBBTNATCFKBN-HJWRWDBZSA-N 286.400 3.911 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(C(C)(C)C)nc2O)no1 1262117807 ZKPGGJOSAUWFSG-UHFFFAOYSA-N 287.363 3.598 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)c1ccc(Cl)c(C#N)c1 1275117141 WBVGPDHRHBAIKZ-SNVBAGLBSA-N 278.783 3.766 30 20 CHED CC[C@@H](C)[C@@H](CN(Cc1ccc(C#N)cc1)C(C)C)OC 1308571130 PLMLYCQYWFTZBE-CRAIPNDOSA-N 288.435 3.830 30 20 CHED Cc1cc(C)c(C#N)c(N(C)Cc2cc3ccccc3[nH]2)n1 1319077768 LDSNETOCDAJFFH-UHFFFAOYSA-N 290.370 3.688 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C\c1cncs1)C2=O 1319226247 DMGIMLQZWPWBBX-JTTRITNRSA-N 271.341 3.541 30 20 CHED CC[C@@H](C)N(C(=O)CC#Cc1ccccc1)[C@H](C)CC 1321214742 FJBSNQSHQFWUJA-HZPDHXFCSA-N 271.404 3.854 30 20 CHED CC(C)N(CCc1ccccc1)C(=O)C#Cc1cccs1 1326451746 MDUNIGABTGELGQ-UHFFFAOYSA-N 297.423 3.579 30 20 CHED CCC[C@H]1C[C@@H](c2nnc(-c3cccc(C#N)c3)o2)CCO1 1326941631 WOTZMERQRBPXFS-GJZGRUSLSA-N 297.358 3.671 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1CCC[C@@H](OC)C1 1337550892 LWKAIZNBFUAPIG-BZUAXINKSA-N 279.424 3.539 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H]1CCc2ccccc21 1338806594 MMOARSUMTWFYKM-YQNUULROSA-N 281.355 3.550 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](C)c1nc(C)cs1 1339886625 VWRPTAYRPBDPSB-OLZOCXBDSA-N 293.436 3.653 30 20 CHED CCc1ccc(C(=O)N(CCC#N)CC(C)C)cc1CC 1341766828 XLVCVDXDPXWQMZ-UHFFFAOYSA-N 286.419 3.823 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)nc2ccccc12 1345018426 YQBRZEDXBVSVDN-KGLIPLIRSA-N 294.354 3.782 30 20 CHED C[C@@H](C(=O)O[C@H](CC#N)c1ccco1)c1ccccc1 1345980628 BGFBQTSKIXMZEN-IUODEOHRSA-N 269.300 3.581 30 20 CHED N#CC1(COC(=O)c2ccsc2C(F)F)CCCC1 1347883887 LEJIADRNGXOVCX-UHFFFAOYSA-N 285.315 3.926 30 20 CHED Cc1c(Cl)cccc1NC(=O)c1ccsc1C#N 1354930731 PZCYRUXJXNETKV-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1ccccc1CCNc1ncc(Cl)c(C)c1C#N 1458238168 RHRVYSMQEZCORO-UHFFFAOYSA-N 285.778 3.878 30 20 CHED Cc1cc(SCc2cccnc2C)ccc1C#N 1459144791 ZVHKRGNOHFOIQZ-UHFFFAOYSA-N 254.358 3.862 30 20 CHED Cc1ccnc(N(C)[C@H](C)C2CCCCC2)c1C#N 1472766663 XVAOPHPJHMNDMS-CYBMUJFWSA-N 257.381 3.667 30 20 CHED N#Cc1cccc(CN2CCC(C3CCCCC3)CC2)n1 1474617661 YLAFELYROYSYEA-UHFFFAOYSA-N 283.419 3.746 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1cccs1 1515587305 FUZVEYOIAXYONG-WGBDABJCSA-N 263.362 3.538 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)OCC(C)(C)CCC#N 1518445194 XHICKKMEENGHPO-UHFFFAOYSA-N 286.375 3.754 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 1527410692 TXUJWQXLLCYVST-MRXNPFEDSA-N 273.376 3.715 30 20 CHED CSc1cc(C(=O)Nc2ccc(C#N)cc2Cl)co1 1534932173 PRDOCLPXXAHUKO-UHFFFAOYSA-N 292.747 3.779 30 20 CHED CC(C)C(CNC(=O)CC1(C#N)CCCCC1)C(C)C 1537666449 YXBNQQBBZQVCAU-UHFFFAOYSA-N 278.440 3.895 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C#N)ccc1F 1562915715 QCULMMMMGUPYPB-TZMCWYRMSA-N 289.354 3.788 30 20 CHED Cc1ccc(C(=O)Nc2c(F)cccc2Cl)cc1C#N 1584765563 VHJNTFNXDPCCES-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cc1C#N 1587283302 QKKAIIFBRIHHDP-DOMZBBRYSA-N 276.767 3.832 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 1588159130 IBGWIYRSFBWMMU-JKSUJKDBSA-N 298.292 3.579 30 20 CHED C=CCC1(NC[C@@H]2CCCC[C@@H]2C(=O)O)CCCCC1 1588769147 NCPABYVYIFKGLY-GJZGRUSLSA-N 279.424 3.746 30 20 CHED C=C(C)CCC(=O)O[C@@H]1CCCc2cc(C(=O)O)ccc21 1602761122 VKXKSGYGWBXXST-OAHLLOKOSA-N 288.343 3.662 30 20 CHED C=CCCCCCCN[C@H](C)c1cccc(-c2nn[nH]n2)c1 1602837930 JRJRCCSBCFUZMJ-CQSZACIVSA-N 299.422 3.654 30 20 CHED COc1ccccc1SCc1cccc(C(=O)O)c1C#N 1610369624 PYQLKCCEXIZWAW-UHFFFAOYSA-N 299.351 3.557 30 20 CHED CC[C@H](C)CN(C)c1c(Br)cccc1C#N 1611983701 UZGVUVRJLXWOGC-JTQLQIEISA-N 281.197 3.803 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1CCOc1cccc(C#N)c1 1615989145 XLKOTGIVXIOZSY-MAUKXSAKSA-N 286.419 3.838 30 20 CHED COc1cc(C#N)ccc1CN(c1ccccc1)C1CC1 1617939946 JDRLYQXKLJCYFG-UHFFFAOYSA-N 278.355 3.736 30 20 CHED CC1(C)C(CNc2snc(Cl)c2C#N)C1(C)C 1639837617 LDYUOKDQRZYQTB-UHFFFAOYSA-N 269.801 3.762 30 20 CHED CCc1ccc(Nc2ncc(C#N)cc2F)cc1C 1642458532 LXKVOWGKAUNBEA-UHFFFAOYSA-N 255.296 3.707 30 20 CHED CCCN(Cc1ccccc1F)c1ccnc(C#N)c1 1655675024 GMFWDYYBSBYBFA-UHFFFAOYSA-N 269.323 3.509 30 20 CHED CCc1ccc2c(c1)CCN2Cc1cccc(C#N)c1 1660577881 QBEJXAZNMMQRSH-UHFFFAOYSA-N 262.356 3.683 30 20 CHED O=C(O)c1ccc(NN=Cc2ccccc2C(F)F)cc1 1776014064 FBLWYCVYBZAEOM-UHFFFAOYSA-N 290.269 3.768 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1OC)[C@H]1CC1(C)C 1776050664 RVAIGQKRCPPUCO-LLVKDONJSA-N 290.363 3.617 30 20 CHED C[C@@H]1CC(=NNc2ccc(F)c(C(=O)O)c2)C[C@H](C)C1 1776062232 KMZXGTYORHCAJG-AOOOYVTPSA-N 278.327 3.748 30 20 CHED CCC(=NOC1CCCC1)c1cc(C(=O)O)ccc1F 1776112123 LUYFTRWDPBTKMV-UHFFFAOYSA-N 279.311 3.597 30 20 CHED C=CCC1(C(=O)O)CCN(CCC(C)(C)C2CC2)CC1 1776160351 BQDKQUCHSVDOPP-UHFFFAOYSA-N 279.424 3.556 30 20 CHED C=CCc1ccccc1/C=C(\CC(=O)O)c1ccc(C=O)o1 1776187692 HPGAXTPBBZPWCJ-XNTDXEJSSA-N 296.322 3.836 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1occc1C 1776786731 HHDJVAZDOHRQFL-AWEZNQCLSA-N 281.396 3.881 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccco1 5769558 GPASSABHCFKWQF-VMPITWQZSA-N 264.227 3.777 30 20 CHED COc1ccc(Cl)cc1COc1ccc(C#N)cc1 15682863 YANVLMCZBWMQNQ-UHFFFAOYSA-N 273.719 3.799 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 33410834 RCNSWQYZHLVEQQ-KHPPLWFESA-N 267.284 3.799 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1ccc(Cl)cc1 37132995 KTGAKJZBVITDGZ-SNVBAGLBSA-N 257.724 3.780 30 20 CHED C[C@@H](NCCCc1ccccc1)c1cccc(C#N)c1 37218465 ATWATPQFIQEWPG-OAHLLOKOSA-N 264.372 3.842 30 20 CHED CCN(CC)CCC[C@H](C)Nc1ccc(C#N)cc1F 37412550 WRKMOJWWXLGWCW-ZDUSSCGKSA-N 277.387 3.620 30 20 CHED N#Cc1cnc2ccccc2c1NCCc1ccccc1 37507636 SIAKHKZUIIGDTH-UHFFFAOYSA-N 273.339 3.761 30 20 CHED Cc1c(C(=O)[C@@H](C#N)c2ccccn2)oc2ccc(F)cc12 41493382 ZBMNSSIBYZGIBW-ZDUSSCGKSA-N 294.285 3.765 30 20 CHED N#C[C@H](C(=O)c1ccccc1)c1ccc(C(F)(F)F)cn1 41555553 IQKVBTBTFVWWPE-LBPRGKRZSA-N 290.244 3.590 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cccc(C)c2)cc1 49873522 WABLTBJZZDLDLM-QGZVFWFLSA-N 278.355 3.552 30 20 CHED CC[C@H](CC#N)NCc1ccc(Cl)c(Cl)c1 54182203 PAEAUTTWIOZTIC-SNVBAGLBSA-N 257.164 3.775 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 55599156 WXPOUIZSKIPCQH-QGZVFWFLSA-N 282.387 3.743 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(OC(C)C)cc2)cn1 60108495 JCUHQXAKGZVPLR-JXMROGBWSA-N 284.359 3.586 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)c2ccccc21 60973920 PFPDFVRCQCRPQO-GFCCVEGCSA-N 277.327 3.714 30 20 CHED CN(C(=O)CCc1ccc2ccccc2c1)C1(C#N)CCC1 66321574 ADBHJCSSVCKGEW-UHFFFAOYSA-N 292.382 3.677 30 20 CHED CC[C@H](C)[C@H](C(=O)N1CCC(C#N)CC1)c1ccccc1 71297965 OSZQDAXRSPPHCQ-YOEHRIQHSA-N 284.403 3.578 30 20 CHED N#Cc1cccc(CSc2nnc(C3CC3)s2)c1 74794950 QZNUJSGKQAUYOB-UHFFFAOYSA-N 273.386 3.579 30 20 CHED N#CCCN(Cc1ccccn1)Cc1ccccc1Cl 81159785 XFIPXIOVKHUDIY-UHFFFAOYSA-N 285.778 3.651 30 20 CHED C[C@H]1CSC(S[C@H](C#N)C2CCCCC2)=N1 89523010 BKZPGLPRBZTKCK-GXSJLCMTSA-N 254.424 3.683 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccccc2OC)cc1 92398967 LSDLGQCKQLXIGP-UHFFFAOYSA-N 280.371 3.708 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1snc(Cl)c1C#N)CO2 92684688 IYKGEYVIXRZTGS-JTQLQIEISA-N 291.763 3.522 30 20 CHED Cc1sc(NC(=O)/C=C\c2ccccc2)c(C#N)c1C 97570320 ZSORVLLHUYUMGL-HJWRWDBZSA-N 282.368 3.889 30 20 CHED CCOc1ccc(NC(=O)C2(C#N)CCCCC2)c(C)c1 98114881 FHIPXXZQFBLTMA-UHFFFAOYSA-N 286.375 3.806 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 116957021 STZXPXOHZQLAOL-WDEREUQCSA-N 295.452 3.765 30 20 CHED C=CC[C@@H](C)NC(=O)NCC1(Sc2ccccc2)CC1 116973840 QUJBUEPZOVQXRW-CYBMUJFWSA-N 290.432 3.575 30 20 CHED C#CCCCCC(=O)NCC(C)(C)c1ccc(Cl)cc1 119674286 REBIKAYSSYZDQP-UHFFFAOYSA-N 291.822 3.927 30 20 CHED C#CCCCCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 119696401 DRKVUTGFAGMBIB-HNNXBMFYSA-N 282.387 3.661 30 20 CHED CC1(C)Cc2cc(CN(CCC#N)CC3CC3)ccc2O1 122728844 VHRLTDZNXVCKJJ-UHFFFAOYSA-N 284.403 3.526 30 20 CHED Cc1cc(C(=O)Nc2sccc2C#N)sc1C 125699225 NRZUKGHEEKFQOV-UHFFFAOYSA-N 262.359 3.550 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H](C)c1ccccc1 125725096 BADRNPDMLOFDMS-AWEZNQCLSA-N 278.355 3.999 30 20 CHED C[C@H](C[C@H](O)c1cccs1)Nc1ccc(C#N)cc1F 128903937 MWPICUVDWMVSBC-YGRLFVJLSA-N 290.363 3.683 30 20 CHED Cc1ccc(C[S@](=O)Cc2ccc(C#N)cc2)cc1C 129601394 MAODVTNSRNMHKO-FQEVSTJZSA-N 283.396 3.624 30 20 CHED CN(Cc1cc2ccccc2o1)Cc1ccc(C#N)s1 131298869 IQFJYRZBHCTVFR-UHFFFAOYSA-N 282.368 3.998 30 20 CHED CN(C(=O)CCC(C)(C)c1ccccc1)C1(C#N)CCC1 132907728 UZFJDNOYTDPAEK-UHFFFAOYSA-N 284.403 3.649 30 20 CHED CCc1c(C)sc(NC(=O)[C@H](CC)SC)c1C#N 133124492 YGONTTHXLRTHNB-NSHDSACASA-N 282.434 3.571 30 20 CHED C=CCC[C@H](NC(=O)[C@H](C)C1CC1)c1ccccc1 133751420 ODJHFSBFXOSRLL-CJNGLKHVSA-N 257.377 3.856 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/C[C@H]2CCCS2)cc1 134020575 DWHIBDTUBPTMQQ-SWLSCSKDSA-N 291.464 3.822 30 20 CHED Cc1ccnc(N2CCC[C@@H](C(C)(C)C)CC2)c1C#N 135080814 YGXAFWWKHQFFFK-CQSZACIVSA-N 271.408 3.914 30 20 CHED C[C@H](CCc1ccccc1)NCc1ccc(C#N)s1 135665946 KLNVLFANBVXTNP-CYBMUJFWSA-N 270.401 3.731 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)S[C@@H](C)C1)c1ccccc1 136234020 KMIKJWCWIAUCTA-SOUVJXGZSA-N 289.444 3.699 30 20 CHED N#CCc1ccc(N[C@@H]2CCc3c(F)cccc32)cc1 147611706 KJPWMWRMLWCROR-QGZVFWFLSA-N 266.319 3.991 30 20 CHED Cc1cc(NCc2ccc(C#N)o2)ccc1OC(C)C 151877256 WLDAHUFVRXXSSY-UHFFFAOYSA-N 270.332 3.859 30 20 CHED C=C(C)CN(CC)[C@@H](C)c1nc(-c2cccs2)no1 152534680 MFOUJXHJEFSHMT-NSHDSACASA-N 277.393 3.757 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)C1 155266703 WILXNOPQFOOOQG-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](C)c2ccccc2)n1 157598143 UNVGYAWHGVTSPW-CYBMUJFWSA-N 265.360 3.786 30 20 CHED C=CCN(CC=C)Cc1cccc(-c2cccnc2)c1 158127869 SCKDVWNLBBFBNU-UHFFFAOYSA-N 264.372 3.923 30 20 CHED CCc1ccccc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 159312445 YSQQEISGTDJMET-INIZCTEOSA-N 298.773 3.897 30 20 CHED C=C(C)CNC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 161284150 XWOBARVQYZZSBC-UHFFFAOYSA-N 299.374 3.530 30 20 CHED C[C@@H]1OCC[C@@H]1SCc1ccccc1C(C)(C)C#N 163877652 COSCLVDJOLNCJG-WFASDCNBSA-N 275.417 3.898 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)NC1(C#N)CCCCC1 172287528 UUJAGEJGHTZBHF-OAHLLOKOSA-N 284.403 3.831 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)c2ccc(F)cc2O1 174875287 ZVWZMFVFFBEWHY-LBPRGKRZSA-N 276.355 3.743 30 20 CHED C[C@@H](OC(=O)c1cccnc1Cl)c1ccc(C#N)cc1 175781878 SKZONGODFRKSHA-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC 177868725 WSMPNXOQVBWISD-OLZOCXBDSA-N 293.432 3.570 30 20 CHED CCN(Cc1cnn(C(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 179463914 DCJBVMKNSZDVNG-HNNXBMFYSA-N 296.418 3.919 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(CN(CC)C(C)C)cc1 180397760 OUDPNMTXQKQJCX-UHFFFAOYSA-N 288.435 3.565 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCCc3ccccc32)cc1 180412035 SSRJTFIGVIXPCI-OAHLLOKOSA-N 292.382 3.930 30 20 CHED CCCC[C@H](CC)NCc1ccc(OCC#N)cc1 180552851 KHFYRKIVXPXWLV-HNNXBMFYSA-N 260.381 3.647 30 20 CHED C#CCCCCN[C@@H](C)c1cc2cccc(OC)c2o1 182015009 MXVNMTYTMIKSLN-ZDUSSCGKSA-N 271.360 3.896 30 20 CHED C=CCCCCCN(C)C(=O)c1cn(C(C)(C)C)nc1C 182463941 GCPNCBOFSJEFQB-UHFFFAOYSA-N 291.439 3.765 30 20 CHED CC[C@@H](CC#N)NC(=O)c1occc1-c1ccc(F)cc1 183946366 GWMGDJGISPOSOQ-ZDUSSCGKSA-N 286.306 3.508 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1cc2ccccc2o1 184920514 JPZMEYCMQKSVBT-GFCCVEGCSA-N 269.344 3.660 30 20 CHED COc1cccc(C(C)(C)CN[C@H]2CCC[C@@H](C#N)C2)c1 185865246 WQDTXUGTCVIQNS-ZBFHGGJFSA-N 286.419 3.645 30 20 CHED C=CCC[C@@H](C(=O)Nc1cccnc1)c1ccccc1 186388422 DSIWRGLUURJCGS-MRXNPFEDSA-N 266.344 3.770 30 20 CHED C=CCC[C@H](NC[C@@H](C)c1ncc(C)s1)C1CC1 186779123 BYCVJWXCANJOJE-RISCZKNCSA-N 264.438 3.889 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(Cl)cc1C#N 187068522 QARZKUDKOGGHBK-UHFFFAOYSA-N 289.810 3.973 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)c1cccnc1)c1ccccc1 187480094 MEDNCVVOYMZSGB-PBHICJAKSA-N 280.371 3.619 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)c2cccc(C)c2)CCC1 188022712 CJFJWRQNNTXKCA-OAHLLOKOSA-N 271.404 3.961 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1[N+](=O)[O-] 188331622 HWIMAWLRBSCIPO-ZDUSSCGKSA-N 295.342 3.659 30 20 CHED C#CCC(C)(C)C(=O)N1CCCC(CC)(CC)CC1 188874309 WHAAVPDTFZFOFG-UHFFFAOYSA-N 263.425 3.855 30 20 CHED COc1cc(C#N)ccc1O[C@@H](C)c1cccc(C#N)c1 190089692 QLUGZXLTQKXGPT-LBPRGKRZSA-N 278.311 3.579 30 20 CHED Cc1cc(OC[C@@H](C#N)CCC#N)c2nc(C)ccc2c1 190676078 LENXIVITTMMAOK-CQSZACIVSA-N 279.343 3.674 30 20 CHED N#CCCN(Cc1ccc(OCC2CC2)cc1)CC1CC1 191324925 PSHZLKGAFZIOLE-UHFFFAOYSA-N 284.403 3.601 30 20 CHED N#Cc1cccc(OCCOc2cccc3cccnc23)c1 193231833 FGSJQVDQYXHOMK-UHFFFAOYSA-N 290.322 3.564 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1cccc(Cl)c1Cl 194143397 KNGKBNIXCFWORY-SECBINFHSA-N 272.175 3.617 30 20 CHED CCOc1cccc(/C=C2/COc3c(F)cccc3C2=O)c1 214123248 FDEWSOUNHPPVFZ-LCYFTJDESA-N 298.313 3.883 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc(F)cc2F)cn1 214914184 SCLHMEUNTATXCC-XQRVVYSFSA-N 276.286 3.638 30 20 CHED COCCc1ccccc1N[C@@H](C)c1cccc(C#N)c1 228073976 SXPKDSXSNVJCAT-AWEZNQCLSA-N 280.371 3.920 30 20 CHED C=C(C)CN(C)C(=O)c1cnc(Cl)c2ccccc12 234287873 LYQCAIYHQVXGPW-UHFFFAOYSA-N 274.751 3.536 30 20 CHED C[C@H]1[C@H](C)CCCN1C(=O)N[C@H](CCC#N)c1ccccc1 245974310 WONCIMWNRZZADF-HLLBOEOZSA-N 299.418 3.861 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1ccc(F)cc1F 255115538 HHBMQGCFQFOZEI-UTCJRWHESA-N 279.673 3.909 30 20 CHED COCCCOc1cccc(/C=C\C(=O)c2ccccc2)c1 255277698 OLEJNOXACSARLC-QXMHVHEDSA-N 296.366 3.998 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1cc(F)cc(F)c1 255472123 DDAFVWZYKUPWCB-IWQZZHSRSA-N 286.277 3.796 30 20 CHED O=C1/C(=C/c2cncs2)CCc2[nH]c3ccc(F)cc3c21 255559225 ZAYICRAUDRAYMO-WEVVVXLNSA-N 298.342 3.976 30 20 CHED CCN(CCC#N)Cc1csc(C2CCCC2)n1 266895871 FFSKLSCWNXSREU-UHFFFAOYSA-N 263.410 3.536 30 20 CHED C#CC[C@H](NC(=O)Nc1sc(C)nc1C)c1ccccc1 270189411 CUTVZHSMKVCZFV-AWEZNQCLSA-N 299.399 3.646 30 20 CHED N#CCCCCNCc1c(Cl)oc2ccccc12 270496925 LNYRNSUGJOWLRG-UHFFFAOYSA-N 262.740 3.870 30 20 CHED CCC1(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1 271013810 QKFMMFJNJVWCQR-LLVKDONJSA-N 297.185 3.864 30 20 CHED C[C@H](CC(=O)NCCCC#N)c1ccccc1C(F)(F)F 273052910 RFLSVGPGKDYPPA-LLVKDONJSA-N 298.308 3.619 30 20 CHED COCc1cccc(-c2noc(C3(C#N)CCCCC3)n2)c1 273812853 WDTAIXZEDRFFEW-UHFFFAOYSA-N 297.358 3.608 30 20 CHED C=C[C@@H](Cc1nc(C2(OC)CCC2)no1)c1ccccc1 274011384 NAPSKXSQYIYFHP-ZDUSSCGKSA-N 284.359 3.608 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2ccccc2C(F)(F)F)C1 274234515 UDMONOKBSFQKCF-JSGCOSHPSA-N 296.336 3.920 30 20 CHED C[C@@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1F 274372374 WSZMGXLDTKUULP-SJCJKPOMSA-N 290.382 3.764 30 20 CHED Cc1ccc(C#N)c(N2CCC(c3ccsc3)CC2)n1 274981561 KCIDBMZBJZEOAV-UHFFFAOYSA-N 283.400 3.707 30 20 CHED N#Cc1cccc(Cl)c1N1CCC([C@H]2CCCO2)CC1 275804199 DEOZXBKIXISIFY-OAHLLOKOSA-N 290.794 3.607 30 20 CHED C=CCCN(C)C(=O)c1cc(C)n(Cc2ccccc2)c1C 276394496 NIDAPAZOZDCDOU-UHFFFAOYSA-N 296.414 3.801 30 20 CHED CC#CC(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 277788587 UURSTMFMUUNCOZ-WMLDXEAASA-N 285.387 3.744 30 20 CHED C[C@H]1c2cccn2CCN1CCCCC(C)(C)C#N 278156993 OYANOJVVRFNWFN-AWEZNQCLSA-N 259.397 3.585 30 20 CHED C#CCCCCC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 280158772 UCQIDMRWZAHKHL-KOMQPUFPSA-N 289.806 3.896 30 20 CHED CCN(CCC#N)Cc1ccc(N(C)c2ccccc2)nc1 280620979 BQVKFIBXVARQDY-UHFFFAOYSA-N 294.402 3.585 30 20 CHED C=CC[C@H](C)NC(=O)N(C)Cc1ccccc1SC 280902858 OLWPOGZLSCCDOX-LBPRGKRZSA-N 278.421 3.515 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccsc1Cl 282036523 UDDZUFGQDGSTHE-MRVPVSSYSA-N 258.774 3.878 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC=C(c2ccccc2)C1)OCC 284784413 FPKULSPQADPDFY-GOSISDBHSA-N 299.414 3.674 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(c2cccc(C#N)n2)C1 286419889 OOIZEDHLSKRWQQ-CZUORRHYSA-N 263.344 3.541 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@](C)(C#N)CC 289046557 ZOKHIXRCNKSIBO-AWEZNQCLSA-N 296.823 3.856 30 20 CHED Cc1ccc(F)cc1NC(=O)[C@]1(C#N)CC12CCCC2 294211890 CHOYVQWCAZJZLS-MRXNPFEDSA-N 272.323 3.547 30 20 CHED Cc1cc(C)cc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 294225975 DEARLURGFYRCPG-KRWDZBQOSA-N 268.360 3.716 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCCC2(F)F)nc1 295829396 VXZDGIDCQQFQCN-NSHDSACASA-N 268.332 3.871 30 20 CHED CC(C)N(C)c1cccc(Nc2ncccc2C#N)c1 301490543 AUTJAOYJVPRZDO-UHFFFAOYSA-N 266.348 3.541 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1ccc(Cl)c(C#N)n1 301513815 FZHYFMIVPLZYJA-ZYHUDNBSSA-N 281.812 3.693 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)Nc1ccc(C#N)nc1 301589399 XAMIBNWQUJWNED-CHWSQXEVSA-N 251.333 3.557 30 20 CHED Cc1cc(C#N)ccc1Oc1c(F)cc([N+](=O)[O-])cc1F 301801962 UBIJXNGSOZLCFI-UHFFFAOYSA-N 290.225 3.845 30 20 CHED CCC[C@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] 302119980 FOIWJUOABRIESN-ZDUSSCGKSA-N 273.336 3.625 30 20 CHED C=C(Br)CSc1cc(C)cc(C)n1 306495726 VUQREIJWENRCBF-UHFFFAOYSA-N 258.184 3.699 30 20 CHED CCc1nc(C#N)cc(Nc2cccc(C(C)C)c2)n1 308354636 AKJHEWGRSJESGL-UHFFFAOYSA-N 266.348 3.778 30 20 CHED C=C[C@@H](Nc1cccc(Oc2ccccc2)c1)C(=O)O 312588412 NLLOFPHCHZMCGP-OAHLLOKOSA-N 269.300 3.530 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2nc(C3CC3)cs2)CCC1=O 328911646 GOIPNDGGRAGGDG-WPRPVWTQSA-N 278.377 3.614 30 20 CHED CO[C@@H](C/N=C(/O)c1cc[nH]c1C(C)C)C(C)(C)C 330602778 FPGNAWPDIQFIJQ-LBPRGKRZSA-N 266.385 3.504 30 20 CHED C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C[C@@H](C)C1 332346709 ORVBUJNBLDPBQS-ILXRZTDVSA-N 299.418 3.697 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2cscc2C#N)cc1 334179845 DMLKAYMVZWHRAJ-UHFFFAOYSA-N 295.367 3.673 30 20 CHED COc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1Br 334695265 STKOCOYPCIHCFJ-ZJUUUORDSA-N 295.180 3.562 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1coc(CCC)n1 337760250 OLOXFEBMUMXHCP-UHFFFAOYSA-N 290.388 3.517 30 20 CHED C=C1CCN(C(=O)c2cnn([C@H](C)CC)c2C2CC2)CC1 340623288 WFYJIZXXKUCWCL-CYBMUJFWSA-N 287.407 3.524 30 20 CHED CC/C=C\CCSc1nc(C(=O)OCC)ccc1C#N 341651900 VKDBOBNBOYKUBD-WAYWQWQTSA-N 290.388 3.578 30 20 CHED C=CCC1(C(=O)Nc2sc(CC)nc2C)CCC1 341661283 MRHJBPZPUWLSNU-UHFFFAOYSA-N 264.394 3.699 30 20 CHED N#CC1(CN2CCC[C@@H]2c2ccccc2Cl)CC1 343165359 ZDAFZTFYUPARKK-CQSZACIVSA-N 260.768 3.781 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC1CC1)c1ccc(Cl)cc1 345275120 FAQCRADQVQNEAS-YOEHRIQHSA-N 293.838 3.955 30 20 CHED C=C(C)CCNc1cnn(-c2ccccc2F)c1C 345378129 WMKCJRQISPYWGT-UHFFFAOYSA-N 259.328 3.698 30 20 CHED C=CCCN(C)C(=O)CCC(=O)c1ccc2ccccc2c1 346849122 RQLGSHHTSPCETR-UHFFFAOYSA-N 295.382 3.837 30 20 CHED C=CC[C@H]1N(C(=O)C[C@H]2CCCCO2)CCCC1(C)C 347448450 RFQDFMUDBJIVHU-HUUCEWRRSA-N 279.424 3.539 30 20 CHED Cc1ccc(C)n1C1CCN(c2ccc(C#N)cc2F)CC1 350736032 HXFBAPFKOBIAPB-UHFFFAOYSA-N 297.377 3.957 30 20 CHED C=CCN(CCC(=O)c1ccccc1)CCc1ccco1 352721826 XUEVIMMYSSPFOK-UHFFFAOYSA-N 283.371 3.583 30 20 CHED CC(C)[C@@H]1C[C@@H](NCc2nc(C#N)cs2)c2ccccc21 352942390 NCHMUADCCDPHMS-JKSUJKDBSA-N 297.427 3.989 30 20 CHED C=CCN(CCC#N)C(=O)c1coc2ccc(CC)cc12 359407981 DGFLJXQZCDCCNK-UHFFFAOYSA-N 282.343 3.537 30 20 CHED C=CCCN(C)Cc1nc2ccc(Br)cc2o1 361389157 IPVOLYMYRYJITC-UHFFFAOYSA-N 295.180 3.598 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1CCCSCC#N 374171822 DOFUULNWDANAEU-WBVHZDCISA-N 288.460 3.901 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(OC)cc1OC 393806826 XDBRCCDZXGNBPS-OLZOCXBDSA-N 263.381 3.709 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(C)cccc1Br 393840630 RSAXGGHTMCJLJA-NSHDSACASA-N 296.208 3.842 30 20 CHED C[C@@H](C#N)N(C)C(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 410884153 QAVOKZQHDQUWAZ-ZDUSSCGKSA-N 286.419 3.632 30 20 CHED COc1ccc(C2CCN([C@@H](C)CCC#N)CC2)cc1 411307455 XUXYSWBQHFHFEI-AWEZNQCLSA-N 272.392 3.567 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)CCc1ccc(C#N)cc1 412800092 AUYCLCCUTDSTQO-DLBZAZTESA-N 298.430 3.822 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(C)[C@H](C)CC#N 413356985 HCLBUFKSOXQCFV-HIFRSBDPSA-N 264.413 3.744 30 20 CHED Cc1cc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c(C#N)cc1N(C)C 415698634 ZSJVRSTZGFJUEK-RDTXWAMCSA-N 299.418 3.553 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@@H](C)CC(F)(F)F 416767261 HRPMTQVMJFGTIY-VIFPVBQESA-N 299.296 3.577 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H](C)c1ccc2c(c1)CCC2 419589333 PYYABPPXBPTUJT-STQMWFEESA-N 289.444 3.660 30 20 CHED CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)C[C@@H](CC)O1 420957661 OKAIKSDZASPBGR-KBRIMQKVSA-N 272.392 3.509 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(C2CC2)c1 421348337 BGJYIGCRANPQKS-ZWKOTPCHSA-N 271.404 3.635 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421564446 ZKNDBYQPIJKKSS-DZGCQCFKSA-N 295.386 3.893 30 20 CHED C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@H](C)CC 424251996 RAWXCPAZKAHGAV-OLZOCXBDSA-N 294.468 3.657 30 20 CHED CC1(C)[C@@H](N[C@@H]2CC[C@H](C#N)C2)C[C@@H]1OCc1ccccc1 424334431 VNHHWFDVPZDTTQ-MHORFTMASA-N 298.430 3.652 30 20 CHED C[C@H]1c2ccsc2CCN1c1c(C#N)cccc1[N+](=O)[O-] 425199598 IHEDFNNPIJKSSS-JTQLQIEISA-N 299.355 3.652 30 20 CHED C=CC[C@H]1N(Cc2nc(C(F)F)no2)CCCC1(C)C 425469729 FBVMDEBLLRNYRE-SNVBAGLBSA-N 285.338 3.574 30 20 CHED C=CCCCN(C)C(=O)C/C=C/c1ccccc1F 426298269 JVWHKIAIMDWIJT-CSKARUKUSA-N 261.340 3.654 30 20 CHED N#Cc1c(F)cccc1COc1ccc2[nH]ccc2c1 427556521 OXHKARGMGBMPRH-UHFFFAOYSA-N 266.275 3.758 30 20 CHED C=CCN(CCC#N)Cc1cccc(Cl)c1Cl 428855418 IPOINDGHRGGJTN-UHFFFAOYSA-N 269.175 3.895 30 20 CHED Cc1ccoc1CN(C)Cc1cccc(OCCCC#N)c1 430163098 KRRYHWXCJBJMFD-UHFFFAOYSA-N 298.386 3.903 30 20 CHED CCN(CCC#N)Cc1ccc(C(F)(F)F)s1 432745242 ATOWARABYCZMRM-UHFFFAOYSA-N 262.300 3.502 30 20 CHED CCC[C@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 435270106 UAKYACSZYPTGGT-HNNXBMFYSA-N 296.414 3.629 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(OC)nc1)c1ccccc1 435290428 QXIFVIVVYHDFLG-MRXNPFEDSA-N 296.370 3.528 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 442618191 QBTPSOTUVNVQNG-HNNXBMFYSA-N 294.782 3.839 30 20 CHED CCC1(CC)[C@@H](NCCCCC(C)(C)C#N)C[C@H]1OC 444697471 KNWSXSLFGAVPGM-LSDHHAIUSA-N 280.456 3.890 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H]2CC[C@@H](C)C2)c1 444826474 HOQAHCNYPVEMHS-HIFRSBDPSA-N 288.391 3.952 30 20 CHED CC(C)[C@H](CC(F)(F)F)Nc1ncc(C#N)cc1Cl 445661475 GUGVIJGDIZQNGI-JTQLQIEISA-N 291.704 3.996 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc(C#N)cc1 446132917 YQMPATZIYBGHFG-ZDUSSCGKSA-N 285.391 3.991 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(CC#N)cc1 448594297 LGVXQWJBVHNRDZ-LRDDRELGSA-N 256.349 3.517 30 20 CHED C=CCN(CC1CCCCC1)C[C@H]1C[C@H]2CC[C@H]1O2 450402379 KMDUXTCDBZWHRV-BRWVUGGUSA-N 263.425 3.622 30 20 CHED Cc1ccc(Cl)c2ccc(NC(=O)[C@]3(C#N)C[C@@H]3C)nc12 450421186 SHUBYQYQMGGEOM-QFYYESIMSA-N 299.761 3.685 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccc(OCC=C)cc1 450422022 GFRVZKSCVLGUBW-HNNXBMFYSA-N 287.403 3.655 30 20 CHED C=CCC1(C(=O)N[C@H](C)[C@@H]2CCCCO2)CCCCC1 450444761 CYKFNXIZPGSAFI-CABCVRRESA-N 279.424 3.587 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CCCCC1 450636722 OFCOQLSYNBZWAN-JKSUJKDBSA-N 291.435 3.587 30 20 CHED Cc1ccccc1[C@H](NCC1(C#N)CCC1)C(C)C 450684362 RQLNDBRIGHPWLN-MRXNPFEDSA-N 256.393 3.976 30 20 CHED Cc1nc(C)c(C#N)c(SC[C@@H]2CCCCC2(F)F)n1 450778790 MJIFSXXMHGBAIC-NSHDSACASA-N 297.374 3.883 30 20 CHED Cc1cccc2c1CC(C)(C)N(CCCSCC#N)C2 451261418 MCXADCRDPSJGKM-UHFFFAOYSA-N 288.460 3.779 30 20 CHED C=CC(C)(C)CNC(=O)c1cnc(C)c(Cl)c1Cl 452776603 RMVIDFGFOXUVNQ-UHFFFAOYSA-N 287.190 3.639 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C(F)(F)F)[nH]2)n1 453190610 VCTNPEMNLZWWLB-UHFFFAOYSA-N 285.269 3.937 30 20 CHED CC[C@@H](NCc1cnccc1C)c1ccc(C#N)cc1 453326812 NXMOJTKUASZPSF-QGZVFWFLSA-N 265.360 3.503 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 456506006 IVFDXNOUHGVMSD-QAQDUYKDSA-N 299.414 3.826 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)[C@H](C)c1cccc(C#N)c1 457251395 ZXYRKSCLMPZGOI-MZMPZRCHSA-N 284.403 3.603 30 20 CHED CCc1cccc(N(C)C(=O)CCc2ccc(C#N)cc2)c1 457337894 UXZXTJYWQCRARO-UHFFFAOYSA-N 292.382 3.716 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1C[C@H]1C(C)C)c1ccccc1 458113453 LFWXYFIQMDEIMY-OWCLPIDISA-N 257.377 3.507 30 20 CHED CC#CCCCC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 458190597 NRQKGTJBUGIIPH-KRWDZBQOSA-N 275.436 3.997 30 20 CHED C[C@]1(NC(=O)c2cccc(SCC#N)c2)CC=CCC1 458322295 VYCCWYXZZZGHQL-INIZCTEOSA-N 286.400 3.531 30 20 CHED Cc1ccc(-c2noc(-c3ccc(CC#N)cc3)n2)c(F)c1 460824166 PWBCIIVNXUAMMV-UHFFFAOYSA-N 293.301 3.917 30 20 CHED CC#CCCN1CCS[C@H](C)[C@@H]1c1ccccc1 462327915 PWBMTFKEYYHBGC-GDBMZVCRSA-N 259.418 3.578 30 20 CHED C=CCC1(C(=O)NCCc2ccc(C=C)cc2)CCC1 462568866 ZECXWLFKJZNOBG-UHFFFAOYSA-N 269.388 3.735 30 20 CHED C[C@H]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1(C)C 462582554 UPRHYUQIQLTWEY-UONOGXRCSA-N 284.403 3.556 30 20 CHED Cc1cccc(C)c1OCCCN[C@H]1CCC[C@H](C#N)C1 463295923 AQZZMRNRECNTNC-IRXDYDNUSA-N 286.419 3.744 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cc2c(s1)CCCC2 464163049 QZRPTRAAOQYURU-INIZCTEOSA-N 290.432 3.685 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 464534797 MOXZUVABAYPPLE-QWRGUYRKSA-N 278.421 3.809 30 20 CHED CC(C)CC1(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CCC1 464856536 KJIWWPPTZIRKAN-AWEZNQCLSA-N 284.403 3.952 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(OCc2ccccc2)cc1 465170572 NTAFNDFHYSOMGC-CQSZACIVSA-N 296.370 3.962 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1Cc1ccccc1 465176278 TVZRUJXZDFSUDS-CQSZACIVSA-N 280.371 3.973 30 20 CHED C=CCCN(C)c1c(C#N)cnc2c(F)ccc(Cl)c12 466374985 WUKNKZAHWVEADZ-UHFFFAOYSA-N 289.741 3.911 30 20 CHED C=CCCN(C)C(=O)[C@H](CC(C)C)c1ccccc1 467057498 MDEPROHEWHKEPG-MRXNPFEDSA-N 259.393 3.851 30 20 CHED C=CCC[C@H](O)CN[C@@H]1CCC[C@H]1CCC(C)C 472604005 FKGZTELGNSXKJQ-HRCADAONSA-N 253.430 3.508 30 20 CHED C=CCC[C@@H](CC)NCC1(C)CCC(OC)CC1 475216963 QMCKZZHVUNLYNB-QQFBHYJXSA-N 253.430 3.916 30 20 CHED COc1cc(N[C@@H]2CCC[C@H](C#N)C2)c(C)cc1C 475666467 CODDGHIJTBHBOZ-UONOGXRCSA-N 258.365 3.806 30 20 CHED C=CCCC1(C(=O)N2CCC3(CCCCC3)C2)CC1 476160720 SPAZJSXNAWQCRB-UHFFFAOYSA-N 261.409 3.916 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCc2cc(C#N)n(C)c2)CC1 480266568 PKWUKDLTBKGVRI-HZPDHXFCSA-N 273.424 3.591 30 20 CHED CC1(C#N)CN(c2nc3cc(C(F)(F)F)ccc3s2)C1 481072838 BAXDIGCOKLTQMA-UHFFFAOYSA-N 297.305 3.665 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C#N)ccc1OCC)C(C)C 486366016 KIQCISDCCNEPFN-CQSZACIVSA-N 288.391 3.968 30 20 CHED C=C[C@H]1CCCCN1c1ccc2ccc(F)cc2n1 486489365 SMWBEBXOYWDLJN-AWEZNQCLSA-N 256.324 3.919 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1c(C)cccc1Cl 489502252 YGMWZKGKZLBBNO-CYBMUJFWSA-N 292.810 3.627 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)c1ccccc1 489797834 UMNWKSZTRWWVKZ-UHFFFAOYSA-N 259.393 3.683 30 20 CHED C#C[C@@H](NCc1cccnc1C)c1ccc(Cl)cc1 491474167 KNYQBKAWFOGMKT-MRXNPFEDSA-N 270.763 3.508 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1c(F)cccc1F 494729606 OCOKSGLGNKNKDP-VXGBXAGGSA-N 294.345 3.776 30 20 CHED C=CCCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 494956117 SYFGJMAYVCPSMH-YOEHRIQHSA-N 277.383 3.849 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(C)s1 495087121 JXPGMJLKKJDFDN-UHFFFAOYSA-N 261.390 3.880 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 499519025 PJFKSYQVDZVNAD-LJISPDSOSA-N 285.387 3.707 30 20 CHED C=CCC(C)(C)C(=O)N1CCSC(CC)(CC)C1 500307200 SEHMHLWTOOTHQV-UHFFFAOYSA-N 269.454 3.723 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1sc(C)c(C)c1C#N 502499064 FBAHWNYKDHACJS-RKDXNWHRSA-N 264.394 3.857 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(C#N)c2)C1 505063627 RNDLSDPWAOFBKT-ZBFHGGJFSA-N 270.376 3.503 30 20 CHED CN(Cc1cc(C#N)ccc1F)C[C@H]1C[C@@H]1c1ccccc1 505264131 ALABKICUUUHCPE-SJLPKXTDSA-N 294.373 3.933 30 20 CHED CCc1cc(NCCCC2(C#N)CCOCC2)ccc1F 506298911 SOXPVWIOAZSYQJ-UHFFFAOYSA-N 290.382 3.901 30 20 CHED C=CC[C@H](CC)NC(=O)NC1CC(C)(c2ccccc2)C1 514250189 QBKNLQJWLZBWSG-HJOIGYKYSA-N 286.419 3.761 30 20 CHED C[C@H](CN1CCC(CC#N)CC1)c1ccc(F)cc1 527354970 XBKAFFQUJASMMN-CYBMUJFWSA-N 260.356 3.555 30 20 CHED COc1ccc(C#N)cc1COc1cc(Cl)ccc1F 533817765 BVFGRYZBOCJSIF-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(CC#N)cc1 535347543 QCZFFRYLMSHTLM-RDJZCZTQSA-N 284.403 3.841 30 20 CHED CCOc1ccc(F)c(NCc2cccc(C#N)c2)c1F 535402493 HWTYJCFNORACLH-UHFFFAOYSA-N 288.297 3.847 30 20 CHED FCCN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 537218170 BZDYOOSOGWICCN-SECBINFHSA-N 289.194 3.868 30 20 CHED C[C@@H](NCC#Cc1ccc(F)cc1)c1c(F)cccc1F 539233801 SBHNKPZLQAGIAA-GFCCVEGCSA-N 289.300 3.806 30 20 CHED CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)NCCCC#N 543342712 MQGCDZJXEFJLJC-OAHLLOKOSA-N 293.455 3.974 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C 544796772 VTTNVRFQNGPEEH-NSHDSACASA-N 290.794 3.720 30 20 CHED CC[C@H](CC(F)(F)F)N=c1c(C#N)c[nH]c2ccccc12 544846637 CSZYXCXEFMHRML-LLVKDONJSA-N 293.292 3.671 30 20 CHED N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)C2)cc1 552274381 RAWIFKSLWSZDMH-LJQANCHMSA-N 276.383 3.938 30 20 CHED CCCC[C@H](C)C(=O)Nc1cc(C#N)ccc1NCC 552348985 SQIYEJBLBVNWAA-LBPRGKRZSA-N 273.380 3.755 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@H]1CCCC[C@@H]1O 553826157 XPRYOLPPHFUZEE-STQMWFEESA-N 285.840 3.693 30 20 CHED CC[C@H](NCc1ncc(C)s1)c1ccc(C#N)cc1 556063718 KPEMCJMZFPAIDQ-AWEZNQCLSA-N 271.389 3.564 30 20 CHED C[C@@H](NCc1nc(C#N)cs1)[C@H](C)C1CCCCC1 558486140 RRHIJZIDBHANCQ-NWDGAFQWSA-N 277.437 3.709 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@H]2C=CCC2)cc1 568156867 HWLLEQZUAWRLLB-RDJZCZTQSA-N 282.387 3.628 30 20 CHED CC(C)(CC#N)CSc1ncccc1Br 568270698 ODSKTEAXXNTBGV-UHFFFAOYSA-N 285.210 3.876 30 20 CHED N#CC1(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)CCC1 571756799 TUQMJCMNASUGPE-SJORKVTESA-N 296.414 3.770 30 20 CHED CC(C)OC1CCN(CCCCC(C)(C)C#N)CC1 576660355 WLLJXMUNJJPYJH-UHFFFAOYSA-N 266.429 3.596 30 20 CHED N#Cc1ccc2c(c1)N(c1nc(C(F)(F)F)cs1)CC2 576961810 FOMCLGNPCWQKCC-UHFFFAOYSA-N 295.289 3.728 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1CC2(CCC2)C1 577281870 RCLFMVSSUSCNFR-QGZVFWFLSA-N 283.415 3.870 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(C)c(Cl)c1Cl 577339031 HAQJYXXBHUNOJK-VIFPVBQESA-N 285.174 3.724 30 20 CHED Cc1cccc(C2=CCN(c3snc(C)c3C#N)CC2)c1 577358714 VGMOABKETBLSLZ-UHFFFAOYSA-N 295.411 3.925 30 20 CHED Cc1cc(C(=O)N(C)C[C@H](C)C#N)sc1-c1ccccc1 578245442 OXQFNLYLEBPQED-GFCCVEGCSA-N 298.411 3.955 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2cc(C#N)ncn2)c2ccccc21 582221151 UOOKSLQTWQEQCJ-HZPDHXFCSA-N 278.359 3.645 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)CCCCCC#N 588147352 VQJBEBQZYUIRPN-CQSZACIVSA-N 258.365 3.646 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cncc(Br)c1 588476214 HYTIOZDRPKKAKZ-IHWYPQMZSA-N 292.132 3.642 30 20 CHED COc1cc(Cc2noc(CCCCCC#N)n2)ccc1C 589080238 GTCPUYBJFVWCQG-UHFFFAOYSA-N 299.374 3.604 30 20 CHED C[C@@H](CN1CCC[C@](C)(C#N)C1)c1cc(F)cc(F)c1 590648735 CGUAKAHVNDVGPO-BLLLJJGKSA-N 278.346 3.694 30 20 CHED CC[C@H](C#N)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 593619830 MOSPKKMQRTZYSY-MRXNPFEDSA-N 292.382 3.828 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@H](C)C2CC2)no1 594528675 CHCJLYXAQVRGQP-NWDGAFQWSA-N 281.359 3.801 30 20 CHED C=CCCSCCN[C@H](C)c1cc(C)oc1C 595060584 VZNPMLKBVUQBSG-GFCCVEGCSA-N 253.411 3.856 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(CCc2ccc(C#N)cc2)C1 595437361 FYNSQHWTFBDRGF-DNVCBOLYSA-N 291.398 3.579 30 20 CHED C[C@H](N[C@H](C#N)c1ccccc1)[C@H]1OCCc2sccc21 595508435 ACTXBOSKEDDUCH-XGWLTEMNSA-N 298.411 3.605 30 20 CHED CSCC1(CCNc2cc(C(C)=O)ccc2C#N)CC1 596428209 NKQAPYROROKIDX-UHFFFAOYSA-N 288.416 3.706 30 20 CHED N#CC1(CC(=O)Nc2ccc3c(c2)CCCO3)CCCCC1 597058666 YUKYNUWPWQMTAK-UHFFFAOYSA-N 298.386 3.814 30 20 CHED CCC1(CC)CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 598221853 XQZLYHAEOJLTBV-GOSISDBHSA-N 288.435 3.889 30 20 CHED CC[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)C1CC1 598235532 XRASMWQSXBTCGE-LBPRGKRZSA-N 297.185 3.783 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc2ccccc2n1 603112924 ALIUXLMQJIQOPP-UHFFFAOYSA-N 296.374 3.686 30 20 CHED C=CCOc1cccc(CNCC2Cc3ccccc3C2)c1 605008729 PJOATLNTSIWGMC-UHFFFAOYSA-N 293.410 3.756 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 608959891 SNBUEXSTLLOOPG-LSDHHAIUSA-N 278.440 3.990 30 20 CHED Cc1ccc2c(c1)[C@@H](N=c1c(C#N)c[nH]c3ccccc13)CC2 610277285 NDKGXEPYPIOXOT-IBGZPJMESA-N 299.377 3.936 30 20 CHED Cc1ccc(F)cc1CN[C@@H](C)c1cccc(C#N)c1 611498423 QGVXKNVUGRXHSP-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C=CCN(Cc1ccccc1)Cc1cn2cc(C)ccc2n1 613366764 OXLRYSQGSWOBLY-UHFFFAOYSA-N 291.398 3.831 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1nc2ccccc2o1 614403866 TVJUESCKJKDYQL-UHFFFAOYSA-N 291.354 3.640 30 20 CHED CC(C)(C)c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1 614970276 ZGLNVHUFPVGQCV-CQSZACIVSA-N 296.374 3.580 30 20 CHED CC(C)(C#N)CN[C@H]1CC[C@H](Cc2ccccc2)C1 615136357 MGGYZLGNSASCKO-CVEARBPZSA-N 256.393 3.537 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H](C)C(=O)c2ccccc2)C1 617783827 HQRIUKSMSFZOHZ-HZPDHXFCSA-N 299.414 3.710 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 618807233 WSSVNVIHISPYSC-BFUOFWGJSA-N 287.366 3.768 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2Cc3ccc(F)cc32)n1 645620320 DMNCEQDCCHUDTB-CYBMUJFWSA-N 272.323 3.750 30 20 CHED C=CCN(C(=O)C1(c2ccccc2Cl)CCC1)C1CC1 649893703 OYNRZKICGGHDEC-UHFFFAOYSA-N 289.806 3.939 30 20 CHED C=C(CC)CNC(=O)[C@H](C)c1ccc(Cl)cc1 650082608 MJVQBTIOZZZSNI-LLVKDONJSA-N 251.757 3.526 30 20 CHED C=CCC1(CNC(=O)[C@@H](C)c2ccco2)CCCC1 654082159 WMRKLYKBHWXLMX-ZDUSSCGKSA-N 261.365 3.636 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H](C)C1CCCC1 661899655 VNEUODBJIPIPTA-NSHDSACASA-N 284.359 3.526 30 20 CHED C=CCCNC(=O)NC1(c2ccc(Cl)cc2)CCC1 663981857 GZNNBKWDEZFBOX-UHFFFAOYSA-N 278.783 3.595 30 20 CHED C=CCCNC(=O)Nc1cc(Cl)ccc1OC(F)F 667274922 WSOHWFONOYIQFV-UHFFFAOYSA-N 290.697 3.639 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Br)cc(C)c1C 668854102 CAODLXWLGNSLGT-SNVBAGLBSA-N 296.208 3.760 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)c1ncccc1F)c1ccccc1 670378946 WVOQBRVIMUELOB-KGLIPLIRSA-N 298.361 3.758 30 20 CHED C=CCC1(NCc2ccc(OC)c(C#N)c2)CCCC1 690705366 MTTWCBTYAFVASU-UHFFFAOYSA-N 270.376 3.545 30 20 CHED CC(C)[C@H]1CN([C@@H](C)CCC#N)CCN1Cc1ccccc1 704734980 MXNKKRAHUBVIOT-PKOBYXMFSA-N 299.462 3.521 30 20 CHED N#Cc1cccc(NCCc2ccc(Cl)c(Cl)c2)n1 716321588 YVIOZUWQLWZLTF-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C(/C=C/c1ccccc1)=NNc1cnc2ccccc2n1 727255766 FLXWXGNOISNBGH-ZCHOPRNZSA-N 274.327 3.741 30 20 CHED CCN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCCC[C@H]1C 727322393 IPENVOBVDOVDJZ-CIVDGURZSA-N 296.414 3.999 30 20 CHED C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 727434991 MBBAONUPHKOZNZ-ZDUSSCGKSA-N 295.342 3.706 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2)c2c(c1)C[C@H](C)O2 728438068 NMYVGGUSUJWGMN-YXVBKTCISA-N 294.350 3.915 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1ccc(OCC#N)cc1 729267554 XJYILHUJBVPAPK-CYBMUJFWSA-N 298.411 3.770 30 20 CHED CCc1cccc(NC(=S)N(CCC#N)CC(C)C)c1 730591929 UJZBGALMBOEWLJ-UHFFFAOYSA-N 289.448 3.817 30 20 CHED C#CCOc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 730980898 XJHNZADUHYSGKU-UHFFFAOYSA-N 279.339 3.568 30 20 CHED C=CC1CCN(C(=O)NC2CCCCCCC2)CC1 732235535 DLLYLFJJPDPLBP-UHFFFAOYSA-N 264.413 3.707 30 20 CHED Cc1cc(C)cc(C(=O)OCc2ccc(OCC#N)cc2)c1 733390266 JJJWREAEUIQWEN-UHFFFAOYSA-N 295.338 3.563 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 733889295 CHZJSRXEZHEQMG-BBRMVZONSA-N 270.376 3.584 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)Cc2cc(F)ccc21 734304932 BKJIKHIXXGAYJI-VZUCSPMQSA-N 274.241 3.926 30 20 CHED C=CCN(CC=C)C(=S)N[C@@H](CC)c1cccs1 734367255 CFBUAWWWUHNVHB-LBPRGKRZSA-N 280.462 3.748 30 20 CHED C=CC[C@H](NC(=O)c1ccc(F)c(C)c1)c1ccncc1 734455247 CHAHTDIVEZJOQS-INIZCTEOSA-N 284.334 3.576 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1c(C)noc1C)CC2 741848201 NRKBVUAIRTYVSE-JYRVWZFOSA-N 283.327 3.513 30 20 CHED COc1ccc(CN[C@H]2C[C@H]2C2CCCCC2)cc1C#N 742375166 KBTDHKIMMIXWRI-IRXDYDNUSA-N 284.403 3.625 30 20 CHED FC(F)Oc1ccccc1C=NNc1ccc(Cl)nc1 743449628 ANZOQYXSFUJBOD-UHFFFAOYSA-N 297.692 3.782 30 20 CHED CCn1c(C)cc(C=NNc2ccc(Cl)nc2)c1C 743450580 NFVJMLCHAGJPQG-UHFFFAOYSA-N 276.771 3.619 30 20 CHED CCCCCCCC(=O)NCc1nc2ccc(C)cc2[nH]1 744741376 GOOMAEXZXBZAMD-UHFFFAOYSA-N 287.407 3.848 30 20 CHED COc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)cc1C 747062016 QZUPMNSIHKMZNW-UHFFFAOYSA-N 299.330 3.666 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Oc2ccc(C#N)cc2)C1 749784845 QSXBOBKWEBDPMY-TZMCWYRMSA-N 257.333 3.680 30 20 CHED CC(C)n1cc(/C=C2\Cc3c(F)cc(F)cc3C2=O)cn1 751535224 ICOADXCZUCGZGV-QDEBKDIKSA-N 288.297 3.565 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc2c(c1)CCN2C 751536949 YNIOQGXRRUFMPE-GQCTYLIASA-N 283.396 3.945 30 20 CHED C=C(C)COC(=O)CCOc1ccccc1C(C)C 751826507 WJBCTYLLPWOTOD-UHFFFAOYSA-N 262.349 3.698 30 20 CHED C[C@@H]1CC/C(=C/C(=O)N(CCC#N)c2ccc(F)cc2)C1 753612008 ZWEHEIWXUCTLRW-NXXVSJRMSA-N 286.350 3.819 30 20 CHED CCCCCCCSCC1(CS(C)(=O)=O)CCC1 753688542 VZNMHYPQTFOSPL-UHFFFAOYSA-N 292.510 3.905 30 20 CHED C#CCCN(C)Cc1cc(Br)ccc1Cl 755205491 IWWHBHKKJGTZOV-UHFFFAOYSA-N 286.600 3.558 30 20 CHED C1CCCN([C@@H]2CCCCC2=NO[C@H]2CCCCO2)CC1 755813066 BRCDCFRQZXWBDV-SJORKVTESA-N 294.439 3.704 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc(F)c(Cl)c1 755813457 GUIJUIQPFKZBQF-CYBMUJFWSA-N 271.719 3.746 30 20 CHED Cc1ccc(C2CC(=NO[C@H]3CCCCO3)C2)cc1 755815368 RJHXYJLDEGZGDH-WMCAAGNKSA-N 259.349 3.772 30 20 CHED N#Cc1ccc(O)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 756788352 KTODZFWFPDNYBH-RBSFLKMASA-N 298.386 3.809 30 20 CHED CCC(=NN=c1cc[nH]cc1Cl)c1cc(F)ccc1F 756842540 UQFLPJVRTQWKPI-UHFFFAOYSA-N 295.720 3.661 30 20 CHED CSc1ccc(C(C)=NN=c2cc[nH]cc2Cl)cc1 756844530 RDFSZCZBQBSMJY-UHFFFAOYSA-N 291.807 3.715 30 20 CHED C#CCCCCNC(=O)N(CCC)[C@H]1CCc2ccccc21 758885531 HHMYRAZAWRPRGR-SFHVURJKSA-N 298.430 3.899 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)C1CCCCC1 759076992 UYBQMCCHRWZLBE-SREVYHEPSA-N 255.770 3.959 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2nc(Cl)cs2)c1C 759077740 WDQZLWFRQUSSDO-WAYWQWQTSA-N 295.795 3.526 30 20 CHED COc1cc(F)cc(NN=C2CCc3c(F)cccc32)c1 759209282 DPJKZJSEMSKGDH-UHFFFAOYSA-N 288.297 3.736 30 20 CHED C=CC[C@H](NC(=O)C=C(CC)CC)c1ccncc1 759218297 LXFDQCLBYMXPNR-HNNXBMFYSA-N 258.365 3.561 30 20 CHED C=C(Cl)COC(=O)c1cnn([C@H](C)CC)c1C1CC1 760629613 ZAOQJJMDDAWFKW-SNVBAGLBSA-N 282.771 3.641 30 20 CHED CC1(C)CC(=NNc2ccccn2)CN1Cc1ccccc1 761255775 XPCYKQUCAUWSTL-UHFFFAOYSA-N 294.402 3.534 30 20 CHED C=CCCC(=O)COC(=O)[C@H]1CC[C@H](C(C)C)CC1 761428411 WGRHUCLMYXVGOP-HDJSIYSDSA-N 266.381 3.527 30 20 CHED C#CCCCCc1nc(C(F)(F)c2ccc(F)cc2)no1 761866192 LVZSARFWAGADPT-UHFFFAOYSA-N 294.276 3.695 30 20 CHED C#CCCc1noc(-c2ccc(-c3ccccc3F)o2)n1 761999721 SDLCBUNWWXJTAP-UHFFFAOYSA-N 282.274 3.702 30 20 CHED CCOc1ccc(C=NOC/C(Cl)=C\Cl)cc1 763172704 VSVXTECKGNJBEP-TZSGXZTKSA-N 274.147 3.755 30 20 CHED CO[C@H](C)C(C)=NNc1ccc(Br)cc1C 763172706 VTEFNYKNJYANAV-SNVBAGLBSA-N 285.185 3.580 30 20 CHED C[C@H](Cc1ccccc1Cl)N[C@H]1CCC[C@H](C#N)C1 765927794 JNNZRBRBIRJGSE-IPYPFGDCSA-N 276.811 3.943 30 20 CHED C#Cc1cccc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 766444526 CMZZNJOUAMRYFO-OXQOHEQNSA-N 290.410 3.600 30 20 CHED COc1cc(F)cc(NN=CC2Cc3ccccc3C2)c1 766456123 XCTFQELCDRXEFD-UHFFFAOYSA-N 284.334 3.647 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@H](c1cccc(Cl)c1)C(C)C 767231495 DTAHYHGPLJGTPO-DOMZBBRYSA-N 277.795 3.560 30 20 CHED CCCCC(C)=NNc1ccc(OC)cc1[N+](=O)[O-] 767800614 BSQIWOXJJRTDEH-UHFFFAOYSA-N 265.313 3.581 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cccc2ccsc12 767968306 MPPVJETUWIYVNA-LBPRGKRZSA-N 259.330 3.606 30 20 CHED C=CCNC(=O)[C@H](C)SCc1ccc(Cl)cc1C 768809882 JQSQAXUGAVFAJS-NSHDSACASA-N 283.824 3.572 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](F)c1ccccc1 769389326 OITVHNJGTBTJOG-INIZCTEOSA-N 287.334 3.548 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(C)c(F)c2)c1O 769729228 NXDZRODOCQCKKT-ODLFYWEKSA-N 287.334 3.858 30 20 CHED CC[C@@H]1CC(=NNc2c(F)cccc2Cl)CCO1 769827469 ZOBVZLBAPJJGCU-SNVBAGLBSA-N 270.735 3.836 30 20 CHED C#C[C@@H](C)N(C)Cc1csc(C2CCCCC2)n1 769961777 UEFUKSUCHSAUGK-GFCCVEGCSA-N 262.422 3.644 30 20 CHED N#Cc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)ccc1F 770569604 QCPFSVKDQQLPJU-MLPAPPSSSA-N 298.704 3.843 30 20 CHED C#CCCCCc1nc(Cc2ccccc2CC)no1 771420677 SMUBXELFXCVCIH-UHFFFAOYSA-N 268.360 3.569 30 20 CHED Clc1nc2ccccn2c1C=NOCC1CCCC1 771862650 FTHATMXXBJAJLC-UHFFFAOYSA-N 277.755 3.528 30 20 CHED C=CCN(Cc1c(F)c(F)c(F)c(F)c1F)C1CC1 772382481 RRIDYCILPYALAI-UHFFFAOYSA-N 277.236 3.533 30 20 CHED C#CCCCCC(=O)OCc1nc(-c2ccccc2)oc1C 773634519 AVZMPUFBMKNZDE-UHFFFAOYSA-N 297.354 3.887 30 20 CHED COc1cc(Cl)ccc1N=Cc1c(O)cccc1OC 773907939 ROEODYDSZLSVEK-UHFFFAOYSA-N 291.734 3.813 30 20 CHED O=C(O)c1cccc(/C=C2\CSc3ccccc3C2=O)c1 774117686 YKILFEYJDMQTOJ-UKTHLTGXSA-N 296.347 3.757 30 20 CHED COc1ccc(-c2ccncc2)cc1C=NNC1CCCC1 774384913 HNOBRCQMDIBQBP-UHFFFAOYSA-N 295.386 3.623 30 20 CHED CC(=NOC1CCCC1)c1ccc2ccccc2n1 774601498 CWXGSUSUAMRJJX-UHFFFAOYSA-N 254.333 3.918 30 20 CHED C=CCOc1cccnc1C(=O)OCc1cc(C)cc(C)c1 775114968 WLGPFHRFZAQRHX-UHFFFAOYSA-N 297.354 3.620 30 20 CHED CCOc1cccc([C@@H]2C[C@@H]2/N=C/c2ccccc2O)c1 775630993 OSGQDBWMVGOPPW-AKOHYNGRSA-N 281.355 3.766 30 20 CHED C=C(CNCc1cc(Cl)cc(F)c1O)c1ccccc1 776090039 ZULQWLQBUFEZMC-UHFFFAOYSA-N 291.753 3.988 30 20 CHED CCCCCCCCCCNC(=O)N[C@@H]1CCCOCC1 776328395 ODMUGVQKNXVYGE-MRXNPFEDSA-N 298.471 3.995 30 20 CHED Cc1cc(C)cc(CCC(=O)OCc2cccc(C#N)c2)c1 777173909 WSLCHNWOACYKTR-UHFFFAOYSA-N 293.366 3.851 30 20 CHED C=CCC[C@H](C(=O)OC[C@@H]1CC[C@H](C)O1)c1ccccc1 778696148 FCJXIUJVNIBFHG-XIRDDKMYSA-N 288.387 3.847 30 20 CHED C=CCN(C(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1)C(C)C 779395306 OANMDVFKPJTCOE-JKSUJKDBSA-N 296.455 3.576 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 780347480 NIOLDAXKQSNPRF-YNEHKIRRSA-N 259.349 3.845 30 20 CHED Cn1c(C(=O)OCC2(C#N)CCCCC2)cc2ccccc21 780486755 SDBRKGHRKIIQDE-UHFFFAOYSA-N 296.370 3.809 30 20 CHED C#CCCCCCC(=O)N(CCC#N)c1ccc(C)cc1 780914986 IHEHMNDCKVQWHS-UHFFFAOYSA-N 282.387 3.825 30 20 CHED Clc1csc(C=NNc2ncnc3sccc23)c1 782170728 LXUNJUOCSKSANO-UHFFFAOYSA-N 294.792 3.852 30 20 CHED C=C(C)CCOC(=O)CCC(=O)c1ccc2c(c1)CCC2 783394672 WWOUFSRDGCCYTE-UHFFFAOYSA-N 286.371 3.648 30 20 CHED FC(F)(F)[C@H]1CCCC(=NNc2ccc(Cl)nn2)C1 783507244 FFSCFLISLIJOQA-ZETCQYMHSA-N 292.692 3.650 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1ncc(C(C)(C)C)o1 785077629 GEEFSZWPMRRUQV-JTQLQIEISA-N 278.352 3.516 30 20 CHED COc1ccc(C=NNC2CCCCC2)cc1Cl 786043097 IKUNXRAMPWPHNO-UHFFFAOYSA-N 266.772 3.605 30 20 CHED C=C[C@@H]1CCCCN1Cc1occc1Br 787311089 RJQMGPDRYQVHOE-SNVBAGLBSA-N 270.170 3.583 30 20 CHED C(=NOC[C@@H]1CCOC1)c1ccccc1-c1ccccc1 788032729 BNQDYZPSCHODHF-OAHLLOKOSA-N 281.355 3.741 30 20 CHED C#CCC1(C(=O)OCc2ccc3c(c2)COC3)CCCCC1 788216435 SOMGCULYAADVPQ-UHFFFAOYSA-N 298.382 3.734 30 20 CHED C#CCC1(C(=O)Nc2cc(CO)c(C)cc2C)CCCCC1 788533613 LWZKHWDUGMWATD-UHFFFAOYSA-N 299.414 3.708 30 20 CHED Cc1cc(C=NNc2ncccc2Cl)cc(Cl)n1 788714969 STWNHHAGIHCQSZ-UHFFFAOYSA-N 281.146 3.538 30 20 CHED c1ccc(C(CC2CCC2)=NNCCc2ccccn2)cc1 789106114 XZBAVWYLGBLLDW-UHFFFAOYSA-N 293.414 3.808 30 20 CHED CC[C@H](C)NN=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]12 790183962 PWMURLAMUCDNDC-JQHSSLGASA-N 299.462 3.663 30 20 CHED COc1ccc(NN=C[C@H]2C[C@H]2C)c(C(F)(F)F)c1 793110759 BNIBFEHHSDVVNP-RKDXNWHRSA-N 272.270 3.768 30 20 CHED CC[C@@H](C)CON=Cc1c(C(C)C)nn(C)c1Cl 793160498 VAWJMZITOFKXID-SNVBAGLBSA-N 271.792 3.594 30 20 CHED C=CCCCCNC(=O)[C@H](F)CC1CCCCC1 793832754 ASKKXCHCSSIJCE-CQSZACIVSA-N 255.377 3.767 30 20 CHED CN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCC(C)(C)C1 794269200 FCEBEAQDZLUVSM-HLRDLLSLSA-N 282.387 3.609 30 20 CHED CC(CCc1ccc(F)cc1F)=NOCC(C)C 794921667 CQSSMQJIGOTMQJ-UHFFFAOYSA-N 255.308 3.946 30 20 CHED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCc2ccc(O)cc21 794960105 KWVHJUYKUOVKGC-MDWZMJQESA-N 295.294 3.513 30 20 CHED C=CCOCCOC(=O)c1cc2c(Cl)cccc2s1 797295868 XARQTBOMQQISDK-UHFFFAOYSA-N 296.775 3.914 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCc2cc(C)ccc21 797998432 GLVMLTZCFVRVHF-JQHSSLGASA-N 271.404 3.553 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C#N)s2)oc1C 799897438 PJLNIUXLIAETRX-AATRIKPKSA-N 257.314 3.726 30 20 CHED C[C@H]1CC[C@@H](C=NNc2ccc(Cl)c(C(=O)O)c2)C1 800805132 JOBKMPYEGRPYCV-VHSXEESVSA-N 280.755 3.872 30 20 CHED C[C@@H](C=NNc1cc(C#N)cc(Cl)n1)C(C)(C)C 800814920 DNEQDPAVSZVXHN-VIFPVBQESA-N 264.760 3.687 30 20 CHED CC#CC(=O)Nc1ccc(Oc2ccccc2)cc1C 801153986 UINZNGOWAINIAC-UHFFFAOYSA-N 265.312 3.749 30 20 CHED C#CC[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1 801530250 ZCNPDKZDYDXJTL-ZWKOTPCHSA-N 283.415 3.832 30 20 CHED C/C(=C/Cl)CSc1nc(Cl)c(C#N)s1 804681960 BLDGEPAVYRQIMH-DJWKRKHSSA-N 265.190 3.903 30 20 CHED N#CCCCCCC(=O)OCc1ccc2ncccc2c1 805696270 BQALFLWZWAIEMF-UHFFFAOYSA-N 282.343 3.752 30 20 CHED C#C[C@H](NC(=O)N[C@@H](C)c1ccccc1Cl)C(C)(C)C 808185009 VGMYWWUMHIUHIR-FZMZJTMJSA-N 292.810 3.748 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1cc(C#N)c2ccccc2n1 809075638 HQELCLUPHKOCIF-VAWYXSNFSA-N 279.343 3.791 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1cccs1)C2=O 809156180 DHUGUNFHUDQQQB-VQHVLOKHSA-N 274.316 3.718 30 20 CHED Cc1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)cc1C#N 809495929 YDWYRDAQZFMVLO-LLVKDONJSA-N 289.285 3.820 30 20 CHED C#Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 809609610 HNWQNWQZXKAXNK-SFHVURJKSA-N 265.331 3.584 30 20 CHED C#Cc1ccc(CNc2ccc3ncccc3c2)cc1 809633337 BEONSSHTDPCBMT-UHFFFAOYSA-N 258.324 3.828 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1cccc(F)c1 811685277 NPTXLIXICBJFTP-BQYQJAHWSA-N 269.250 3.733 30 20 CHED CC(C)(C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)C1CC1 813218180 SQFDDPNDTTXYFK-NSHDSACASA-N 296.292 3.713 30 20 CHED Cc1nc2cc(Nc3ccc(C#N)c(C)n3)ccc2s1 813599811 XCHKTSRSXKMDBC-UHFFFAOYSA-N 280.356 3.923 30 20 CHED Cc1sc2ncnc(NN=C3CC(C)C3)c2c1C 814725725 BNKSVZZDMVPGDC-UHFFFAOYSA-N 260.366 3.506 30 20 CHED C=CCC(F)(F)C(=O)OCc1cccc(OC(C)C)c1 815314415 RJXNHWWALPFDOZ-UHFFFAOYSA-N 284.302 3.728 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 815663260 RRZSMEIZAXPFDY-LSDHHAIUSA-N 293.357 3.725 30 20 CHED N#Cc1ccc(C(=O)Nc2csc(-c3ccccc3)n2)o1 816656284 MOWNFMJOSUCAIE-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@]1(C)CC1(Cl)Cl 821452337 WSTSUNGIFNIQAI-LLVKDONJSA-N 265.180 3.716 30 20 CHED C#CCCCCCC(=O)OCC[C@]1(C)C[C@@]1(F)Cl 822048300 IOKMKEWROQYIJD-KGLIPLIRSA-N 274.763 3.818 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2ccco2)CCCCC1 822465571 LNSFLCQZWRJPLN-CQSZACIVSA-N 275.392 3.853 30 20 CHED CCOc1ccc(NC2CCC(C)(C#N)CC2)cc1 823489150 BYSRPXPMZTVADB-UHFFFAOYSA-N 258.365 3.970 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@H](C)CCCC)cc1 832264455 ATWHKNSLNBVLEH-OAHLLOKOSA-N 287.403 3.739 30 20 CHED CC[C@@H](C)[C@H](C=NNc1ccc(OC(F)F)cc1)OC 834952746 WXFKYDMOLPMPBE-MFKMUULPSA-N 286.322 3.747 30 20 CHED c1cc(NN=C2CCC3(CCCCC3)CC2)ncn1 835002867 YISUMXMKBHRVCQ-UHFFFAOYSA-N 258.369 3.769 30 20 CHED Brc1cccc(NN=C[C@@H]2CC=CCC2)n1 835024420 RKWUIKDAUOQYQD-SNVBAGLBSA-N 280.169 3.598 30 20 CHED C=CCC[C@@H](C)OC(=O)c1ccc2cnccc2c1 835267690 MSHDMXNVXQKILU-GFCCVEGCSA-N 255.317 3.746 30 20 CHED CC(C)(C)C#CC(=O)NC1(c2ccc(Cl)cc2)CCC1 837363114 NUKNTXIBXCCGAI-UHFFFAOYSA-N 289.806 3.885 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C#CC2CC2)cc1 837439414 FYZQXYFUAUSBBQ-MSOLQXFVSA-N 281.399 3.503 30 20 CHED O=C(C#CC1CC1)N1CC2(CCCC2)[C@H]1c1ccccc1 837697063 KNWJMTQMUGOJHC-GOSISDBHSA-N 279.383 3.544 30 20 CHED CCCCC[C@@H](C)CC(=O)NCC(C)(C)CC#N 837888075 BXFZEGIEGUEXCB-CYBMUJFWSA-N 252.402 3.649 30 20 CHED C=CCCCCOC(=O)c1scnc1C(F)(F)F 838373893 CPTJIGOTAAFZGO-UHFFFAOYSA-N 279.283 3.675 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccccc1O[C@H](C)C#N 839323195 YTIYPFRKWNLROA-OGHNNQOOSA-N 286.375 3.742 30 20 CHED C=CCC1(C(=O)Oc2ccc(C#N)c(OC)c2)CCCC1 839339830 PRXMXLGVXGGUKN-UHFFFAOYSA-N 285.343 3.609 30 20 CHED CC(C)C(=O)N1CCC(=NOCCC2=CCCCC2)CC1 842024235 MHBHVGYSVKZUIQ-UHFFFAOYSA-N 292.423 3.528 30 20 CHED C=CCC(CC=C)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940969 LURFIYLJFRKNIO-CYBMUJFWSA-N 286.400 3.965 30 20 CHED COC(=O)[C@H](C)c1ccc(-c2cccc(C)c2C#N)s1 844229540 BSVZSDNTZZAPQJ-LLVKDONJSA-N 285.368 3.872 30 20 CHED C=CCCC(CC)=NNc1cccc(C(=O)O)c1C 844622732 CPJRNVOFXHPXOF-UHFFFAOYSA-N 260.337 3.837 30 20 CHED C=C[C@H](C)ONC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 846545448 HBQTZJDRILHHBS-IUCAKERBSA-N 288.174 3.719 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)OCCC(C)(C)C#N)cc1C 850271273 ACLARRJYOLOECN-JKSUJKDBSA-N 285.387 3.890 30 20 CHED C=CC(C)(C)CCOC(=O)c1ccc(C(C)=O)s1 851298701 JWQRILKZWGTKQJ-UHFFFAOYSA-N 266.362 3.710 30 20 CHED Cc1ccc(NN=C[C@@]2(C)CCCS2)cc1F 853438163 QGUIXVHSBOLFKC-CYBMUJFWSA-N 252.358 3.818 30 20 CHED C=C(C)CCNC(=O)/C=C/c1ccc(SC)s1 861893216 IDTKPJZISKTIDP-GQCTYLIASA-N 267.419 3.566 30 20 CHED CCCCCCCCC(=O)N1CCO[C@@H]2CCC[C@@H]21 862858526 LFOLRVMORDNBJM-LSDHHAIUSA-N 267.413 3.517 30 20 CHED C#CC1CCN(C(=O)CCc2cccc3ccccc23)CC1 869084137 XHEOXJBPOOHCEY-UHFFFAOYSA-N 291.394 3.644 30 20 CHED C#CCCCCN[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 877087754 RFRINTZBSKYJLG-ICSRJNTNSA-N 296.458 3.748 30 20 CHED C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CC1(CC#N)CC1 878095661 ABLICSBSFVXRII-INMHGKMJSA-N 284.403 3.531 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2cnco2)c1 878330022 CHXHCTYUTGWCBA-UHFFFAOYSA-N 270.332 3.882 30 20 CHED Cc1ccc(N2CCC[C@@H]2c2cccs2)c(C#N)n1 881763603 KIVUIZFVTNRQEP-CQSZACIVSA-N 269.373 3.665 30 20 CHED C=CCCC[C@H](NCCC1(CO)CC1)c1ccccc1 883226534 AFLBRRKLZDGLRW-KRWDZBQOSA-N 273.420 3.836 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2ccon2)c1 887104639 PKIGXIJMTBOBFS-UHFFFAOYSA-N 270.332 3.882 30 20 CHED C=C1CCC(C(=O)N(C)C[C@H]2OCCc3ccccc32)CC1 888671940 FZUZVNUORLLCKO-GOSISDBHSA-N 299.414 3.505 30 20 CHED CC1(C)CCC(=CC(=O)Nc2cccc(CC#N)n2)CC1 893866470 OGSMNHQYNZYBEV-UHFFFAOYSA-N 283.375 3.613 30 20 CHED C=CCOc1ccc(-c2nc(C3(SC)CC3)no2)cc1 896788135 WDSHIUMWDGECAY-UHFFFAOYSA-N 288.372 3.654 30 20 CHED C=C1CN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 898697134 QQCZLXDVRGKEBY-LLVKDONJSA-N 283.293 3.597 30 20 CHED Cc1cccc(NN=Cc2c(C)nn(C(C)C)c2C)c1 901122804 IBIBEBMAHYBHPS-UHFFFAOYSA-N 270.380 3.835 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NOCc1ccc(F)cc1 901218312 ZEBPLSIYQWETMK-UHFFFAOYSA-N 289.354 3.771 30 20 CHED Cc1nc(/C=C2/C(=O)c3ccccc3C2(C)C)[nH]c1C 901464528 KPDTZRNSFQUQNE-ZROIWOOFSA-N 266.344 3.584 30 20 CHED CCC[C@H](NCC(C)(C)C#N)c1ccc(OC)cc1 903100549 SHKBJWTWTRPPIO-HNNXBMFYSA-N 260.381 3.676 30 20 CHED Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(C#N)s1 904767110 RWXIOJCHIGUAHQ-UHFFFAOYSA-N 285.294 3.662 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1ncccn1 915959677 VKFWTSZZRPPINO-UHFFFAOYSA-N 268.364 3.632 30 20 CHED CCC(=NNc1nc2ccccc2n1C)c1ccc(O)cc1 915967707 MLSOZDYABOBLFU-UHFFFAOYSA-N 294.358 3.505 30 20 CHED CC1=CC(=NNc2nc(C)cc(C)n2)CC(C)(C)C1 916241989 UBWDWFAOKCOPAA-UHFFFAOYSA-N 258.369 3.628 30 20 CHED CCCCC[C@H](C)CNC(=S)NN=C1CCCC1 916276127 MFYRHNGVHAQDST-LBPRGKRZSA-N 269.458 3.597 30 20 CHED C[C@H](CNCc1ccc(C#N)cc1)c1cccc(F)c1 921069511 NGOMFBJWWOPUCL-CYBMUJFWSA-N 268.335 3.591 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)Cc2c(F)cccc21 921264637 WOBYDECBNYNQGI-UKTHLTGXSA-N 280.298 3.583 30 20 CHED O=C1/C(=C\c2ccccc2F)COc2c(F)cccc21 921265952 GIDRDNIQZMFJAY-FLIBITNWSA-N 272.250 3.624 30 20 CHED N#CC1(NC(=O)c2cc(F)cc3ccoc23)CCCCC1 931297669 MYBQEECHBKMPIZ-UHFFFAOYSA-N 286.306 3.528 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H](C)c1cccc(O)c1 934708538 JYVPVFFPAVXVMX-QWHCGFSZSA-N 261.365 3.514 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCCC[C@H]2F)n1 1162508677 MVTINPWGYZKZSI-CHWSQXEVSA-N 275.371 3.943 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccc(Cl)c(F)c1)CC2 1168924291 AXSYPACNXTXPNB-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CC(C)CCN(CCC#N)C(=O)OCCc1ccccc1 1186667140 YEROWPWZHYHQDA-UHFFFAOYSA-N 288.391 3.627 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCCc1ccsc1 1263637816 CBZSBXRRLIMHJR-UHFFFAOYSA-N 299.399 3.683 30 20 CHED N#CCc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 1272973128 LYWLBBFKLPWZOM-SJORKVTESA-N 294.329 3.634 30 20 CHED Cc1cc(C#N)ccc1Oc1ncnc(-c2ccccc2)n1 1306954144 XERAVEUYFGWAQQ-UHFFFAOYSA-N 288.310 3.511 30 20 CHED CCCCCCCC(C)=NNC(=S)NC(C)C 1317710969 RRWOEAXWPFXEPF-UHFFFAOYSA-N 257.447 3.595 30 20 CHED CC(Cc1cccs1)=NNCc1ccc(F)cc1 1319179050 DRGALWLAWWHKLN-UHFFFAOYSA-N 262.353 3.595 30 20 CHED Cc1ccccc1[C@@H]1CCCN1c1cccc(CC#N)n1 1325709961 JUUAWIBXMDAIMD-KRWDZBQOSA-N 277.371 3.798 30 20 CHED C=CC(C)(C)CNC(=O)c1c[nH]c2cc(Cl)ccc12 1326608842 RRIYBIQZYDMTNP-UHFFFAOYSA-N 276.767 3.763 30 20 CHED C[C@H]1CCC[C@H]1Cc1nnc(-c2ccc(C#N)cc2)o1 1327864373 JSDQEYAEMHKYSX-FZMZJTMJSA-N 267.332 3.587 30 20 CHED Cc1occc1C(=O)N(c1ccccc1C#N)C1CCC1 1331467536 AAJDBRSPRKDHNC-UHFFFAOYSA-N 280.327 3.659 30 20 CHED N#CC1(CN[C@@H]2CCCc3c2[nH]c2ccccc32)CCC1 1334812678 HPHCAABRZKODIN-MRXNPFEDSA-N 279.387 3.829 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)CC/C=C\c1ccccc1 1344325850 PTEMBDIFJIMCJA-CXSQMQJXSA-N 293.370 3.573 30 20 CHED N#CC[C@@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccco1 1347949031 PLVJZXZUOZYJED-NVXWUHKLSA-N 295.338 3.898 30 20 CHED Cc1c(F)cccc1C(=O)O[C@H](C)c1cccc(C#N)c1 1355926737 WQVRWXMKPBEONA-GFCCVEGCSA-N 283.302 3.924 30 20 CHED Cc1cc(NCC(C)(C)C2CCCC2)ncc1C#N 1458268758 UZYNFHDQYZMCGK-UHFFFAOYSA-N 257.381 3.890 30 20 CHED CC[C@@H](CC(=O)N1CCCc2cc(C#N)ccc21)C(C)C 1460300785 DSAPHPUEPWNXHY-HNNXBMFYSA-N 284.403 3.910 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)CCC(C)C)c1 1476739852 UPQCPPUQORBXDQ-ZDUSSCGKSA-N 273.380 3.813 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCO[C@@H](CCC)C1 1514859110 OQTYLXICZHPPNL-OAGGEKHMSA-N 279.424 3.539 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 1519773108 RSXFNTODODQMTC-MRXNPFEDSA-N 282.318 3.578 30 20 CHED Cc1ccc(CCNc2nc(Cl)c(C#N)s2)cc1C 1559232657 ONIBAGROZDGALO-UHFFFAOYSA-N 291.807 3.940 30 20 CHED C=C(C)C[C@H](NC(=O)CC(C)(C)C1CCCCC1)C(=O)O 1588540484 HNGFQHFWEJXKFE-AWEZNQCLSA-N 295.423 3.519 30 20 CHED CC(C)c1ccc(NCc2ccc(C#N)cc2)c(C(=O)O)c1 1591968470 NNONKMWREXEMAN-UHFFFAOYSA-N 294.354 3.992 30 20 CHED N#CCCC[C@@H](NCc1occc1C(=O)O)c1ccccc1 1610621393 HUFKZQCKAUSOLQ-OAHLLOKOSA-N 298.342 3.503 30 20 CHED N#Cc1cccc(C#N)c1N1CC[C@H](C2CCCCC2)C1 1612580561 JWBVGIOTLJKYAQ-KRWDZBQOSA-N 279.387 3.837 30 20 CHED C[C@H]1C[C@@H](NC(=O)[C@H](C#N)CCc2ccccc2)CC[C@H]1C 1633673659 PFBZOWPDOLJJLX-FZCLSBEQSA-N 298.430 3.700 30 20 CHED N#Cc1ccc(C(F)(F)F)n(CCCC2CCCC2)c1=O 1641372460 ZNYXFBQCCXOXPO-UHFFFAOYSA-N 298.308 3.709 30 20 CHED C[C@@H]1CCCC[C@@H]1CN[C@H]1CCc2cc(C#N)ccc21 1651028139 HJYJSMNIOFQJDM-QBIMZIAESA-N 268.404 3.961 30 20 CHED C[C@@H]1CCC[C@@H]1CNc1ncc(C#N)cc1Br 1651785204 XLNLTZTVTBXBQL-MWLCHTKSSA-N 294.196 3.564 30 20 CHED CCc1c[nH]c2ncnc(Sc3ccc(C#N)c(C)c3)c12 1651969523 IJVYNVFFKSQSII-UHFFFAOYSA-N 294.383 3.852 30 20 CHED N#Cc1cccc(C#N)c1N1CCCCCCCC1 1655481044 MROFIFWZWIYRQE-UHFFFAOYSA-N 253.349 3.591 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1cc(F)cc(C#N)c1 1674218187 BXPNYZDZFPNALD-MEDUHNTESA-N 289.354 3.788 30 20 CHED C[C@H]1CCCC(=NNc2cccc(C(=O)O)c2)CC1 1776037657 SYHSAWSNHAQWPE-NSHDSACASA-N 260.337 3.753 30 20 CHED Cc1c(NN=C2c3ccccc3C[C@H]2C)cccc1C(=O)O 1776087063 GMQWFYPTSGCULP-LLVKDONJSA-N 294.354 3.702 30 20 CHED C=CCC1(C(=O)O)CCN(CCC[C@H](C)CCC)CC1 1776159947 KPSMAMATHIVNBW-OAHLLOKOSA-N 281.440 3.946 30 20 CHED C=CCCCCCN1CCC([C@@H]2CCC[C@@H]2C(=O)O)CC1 1776173418 UDHFIODJHKAMMS-IRXDYDNUSA-N 293.451 3.946 30 20 CHED C=CCc1ccccc1/C=C\c1ncc(C(=O)O)s1 1776189051 DOFKCUPVUDSSCR-HJWRWDBZSA-N 271.341 3.740 30 20 CHED Cc1nc(CSCc2ccccc2C#N)cs1 105621738 MIRYXFJWBCEGAW-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C#CCCCNC(=O)Nc1cc(C(F)(F)F)ccc1C 174930319 PBXOTWPPOYZNSI-UHFFFAOYSA-N 284.281 3.549 30 20 CHED C=CCOc1ccc(CN[C@H](C)CCc2ccco2)cc1 20563148 JHIYATGMMGTEDL-OAHLLOKOSA-N 285.387 3.955 30 20 CHED CCC(CC)CN(CCC#N)C(=O)Cc1cccc(C)c1 104547552 CWIQJOPMENTYBJ-UHFFFAOYSA-N 286.419 3.716 30 20 CHED N#CCCCN1CCC[C@@H]1c1cccc(Br)c1 52213984 FJPUTTGBJJTLGY-CQSZACIVSA-N 293.208 3.890 30 20 CHED N#Cc1ccc(CNc2ccc(NC(=O)C3CC3)cc2)cc1 10943648 FWDQJGVXQSGZQW-UHFFFAOYSA-N 291.354 3.519 30 20 CHED O=C(/C=C/c1csnn1)c1ccc(SC(F)F)cc1 116609450 HPMWWCMTPYLIOE-ZZXKWVIFSA-N 298.339 3.749 30 20 CHED Cc1ccc(C#N)cc1NCc1ccn(-c2ccccc2)n1 170686342 JISURBGBAVWZMU-UHFFFAOYSA-N 288.354 3.665 30 20 CHED Cc1ncccc1/C=C1\CCc2cc(F)ccc2C1=O 176941278 KROCMLXEULUMQC-NTEUORMPSA-N 267.303 3.742 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)N(CCC#N)CC(C)(C)C 118227200 CCXKQAAZEONBBS-OAHLLOKOSA-N 294.439 3.513 30 20 CHED COc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1C#N 1438719326 PDXBTEWZORXMQE-UHFFFAOYSA-N 294.354 3.943 30 20 CHED Cc1ccc([C@@H]2CCCCN2c2cccc(C#N)n2)cc1 301860197 SXKRNXHRWRHPEQ-KRWDZBQOSA-N 277.371 3.993 30 20 CHED C=CCCO[C@H](C)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 69357568 ARICMFRMEGAHRO-KDOFPFPSSA-N 299.414 3.646 30 20 CHED CC(C)c1ccc(C[C@@H](C)Nc2nccnc2C#N)cc1 301866555 BQSQOXYOCANILI-CYBMUJFWSA-N 280.375 3.515 30 20 CHED C=C(C)CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 351859535 XCZMWJHDKWRRQO-HNNXBMFYSA-N 273.376 3.561 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)Cc2ccccc2C)c1 302096320 JGCCHMGJFVGWSM-UHFFFAOYSA-N 278.355 3.706 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C)[C@@H]1C)c1ccccc1 119969186 UDTWBYCMVZSKGE-QLFBSQMISA-N 257.377 3.603 30 20 CHED Cc1cccc([C@H](C)CNCc2cc(C#N)cs2)c1 177705239 WJRDNBWSWZKISI-CYBMUJFWSA-N 270.401 3.822 30 20 CHED C=C(C)CCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 1358475853 UHCVSUZHQHOKBB-VKJFTORMSA-N 287.403 3.720 30 20 CHED C[C@@H](OC(=O)COC1CCCCC1)c1ccc(C#N)cc1 175779054 VJKOIALLANWWCM-CYBMUJFWSA-N 287.359 3.512 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 112775610 BAQPTPKNJLDLFH-LSDHHAIUSA-N 298.292 3.579 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 171919600 SIWMTXORUNIQAV-GFCCVEGCSA-N 258.365 3.718 30 20 CHED C=CCSc1ccccc1NC(=O)CN(C)[C@@H](C)CC 68450485 MBNZKJKRQQWNJU-ZDUSSCGKSA-N 292.448 3.634 30 20 CHED N#Cc1cccc(Sc2nc3ccc(Cl)cc3[nH]2)n1 301852372 PVEBBUFECHULRA-UHFFFAOYSA-N 286.747 3.634 30 20 CHED C=CCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 175185231 MRTFZBHDXQSUOJ-UHFFFAOYSA-N 298.342 3.827 30 20 CHED N#Cc1ccccc1OCCN[C@@H](c1ccccc1)C1CC1 128023568 AJSPEEAXXSFRSD-IBGZPJMESA-N 292.382 3.678 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(C#N)c(F)c2)o1 404771438 WZBOXOBEIHNSMQ-ABAIWWIYSA-N 284.334 3.704 30 20 CHED CC[C@@H](CSC)NCc1cccc(OCCCC#N)c1 182127368 PXBURIQIMPWGJP-HNNXBMFYSA-N 292.448 3.600 30 20 CHED C=CCSCCN[C@H](C)c1ccc(Cl)cc1 129343096 IUKZAJJZPZGOMI-LLVKDONJSA-N 255.814 3.910 30 20 CHED C[C@H]1CCN(Cc2ccc(F)cc2C#N)C[C@H](C)C1 443648856 GRWATGVUJSCYLM-QWHCGFSZSA-N 260.356 3.565 30 20 CHED CCC[C@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)C(C)C 184013894 OFWQPKTXXBIXDL-HKUYNNGSSA-N 298.430 3.626 30 20 CHED Cc1nc(C)c(CN(CCC#N)CCC(C)C)s1 72691100 WJVGMXZUGXCJHC-UHFFFAOYSA-N 265.426 3.522 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCOC2(CCCCC2)C1 128491439 FZWCOXUZCGFIGM-COYFKBPASA-N 273.376 3.693 30 20 CHED N#CCc1cccc(NCc2cccc3c2NCCC3)c1 313448635 NPTZGVKHMDWKBM-UHFFFAOYSA-N 277.371 3.723 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2ccccc2C#N)cc1 30002433 XLQRHVZKPPQCIZ-CQSZACIVSA-N 280.371 3.760 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C)c(N(C)C)cc1C#N 415713136 VHRLSEHCDUVVCY-ZFWWWQNUSA-N 299.418 3.698 30 20 CHED N#Cc1ccc(NCc2cccc(O)c2)cc1Cl 37393211 GVADNMGPKAVVPB-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C[C@H]1Cc2ccccc2CN1CCCC(C)(C)C#N 174874697 QGGRAELCBIABDY-AWEZNQCLSA-N 256.393 3.763 30 20 CHED COc1cc(C(C)=O)ccc1S[C@@H](C)CCC#N 188326807 CTSDRZJBLCQGEY-JTQLQIEISA-N 263.362 3.682 30 20 CHED CSc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1 32615749 HHAVGGPPBSAPIX-UHFFFAOYSA-N 296.395 3.552 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](Cc1ccccc1)C1CC1 188433552 LGUNASNBDLUXBX-WMZOPIPTSA-N 271.404 3.726 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc2c(C)cccc2s1 184951671 PJTKZLYGTBAIPY-UHFFFAOYSA-N 272.373 3.593 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc(OCCF)c2)C1 185750038 PWENUTWNWDKGJC-QWHCGFSZSA-N 262.328 3.529 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)c1ccccn1)c1ccccc1 187466206 OKFLBISIEGLVCQ-GDBMZVCRSA-N 280.371 3.619 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H]2C[C@]2(C)CC)c1C#N 127809384 JYFJZZZQONIOSS-WFASDCNBSA-N 276.405 3.865 30 20 CHED C[C@H](NC(=O)CSc1ccccc1)c1ccc(C#N)cc1 33179136 JSXGQEAAECJMOM-ZDUSSCGKSA-N 296.395 3.528 30 20 CHED C=CCCO[C@H](C)C(=O)NC1CCC(CCCC)CC1 501568324 ISSJILRHLKEVAP-QQFBHYJXSA-N 281.440 3.833 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cc(F)cc(F)c1 180462546 ADZRAEUDVTTXLS-LLVKDONJSA-N 282.334 3.509 30 20 CHED C[C@@H](CN(C)[C@@H](C)c1ccc(C#N)cc1)c1nccs1 183950206 LIHPLJGRNCOLHF-STQMWFEESA-N 285.416 3.811 30 20 CHED C=CCC[C@H](NC[C@H](C[C@@H](C)O)c1ccccc1)C1CC1 121667293 KLCSOJCJCDUCBI-MNEFBYGVSA-N 287.447 3.876 30 20 CHED COc1cc(F)cc(CN[C@H](C)c2ccc(C#N)cc2)c1 180294786 CZYBUKRCWHIWET-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=CCn1c(C2CC2)nn(CN(CC)CCCC)c1=S 129765564 IHGGRGMNRIIXSH-UHFFFAOYSA-N 294.468 3.557 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@H](C)c1ccccc1C 410828624 OFUHCHZQWGNPQA-GJZGRUSLSA-N 272.392 3.639 30 20 CHED CC(C)(C)CN(CCC#N)C[C@@H](O)c1cccc(Cl)c1 173784468 SDZGMSHGKPCQBP-OAHLLOKOSA-N 294.826 3.635 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1C)c1c(C)noc1C 186328765 JYODMQMOKUDFDW-INIZCTEOSA-N 283.375 3.712 30 20 CHED C=CCC(C)(C)C(=O)NCc1c(C)c2ccccc2n1C 509751423 NEGCEXJQYXZOTP-UHFFFAOYSA-N 284.403 3.705 30 20 CHED C=CC[C@H](C(=O)N1CCCC[C@@H]1C)c1ccccc1 186040895 COGHRZVZMUOTSF-HOCLYGCPSA-N 257.377 3.747 30 20 CHED CCN(CC)C(=S)SCc1ccc(C#N)cc1F 73172059 RZMIXDBDUPHIMB-UHFFFAOYSA-N 282.409 3.557 30 20 CHED CCC[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N 78833277 BCEJCHLTWYTUBH-QMMMGPOBSA-N 257.259 3.573 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412368441 NXMHQKFZJMUDGC-YESZJQIVSA-N 296.414 3.604 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)cc1)c1cncc(F)c1 78022959 IZOUPGQOEQNMGI-ZZXKWVIFSA-N 293.244 3.718 30 20 CHED N#CCCSCc1nc(-c2cccc(Cl)c2)no1 413013273 NXFZPHVFOCIUJZ-UHFFFAOYSA-N 279.752 3.537 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(CC[C@@H](C)O)cc1 186132374 HILYDXJIKNVKCB-OAHLLOKOSA-N 295.382 3.759 30 20 CHED COc1ccc(C#N)cc1NC/C=C/c1ccc(F)cc1 501006724 VMLBMNQEPBQDRE-NSCUHMNNSA-N 282.318 3.831 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccc(Cl)cc2)cc1 49904436 GZDWLFXDPOTLQE-MRXNPFEDSA-N 298.773 3.897 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1ccccc1OCC#N 194148751 ZJGKLNLJYGZPPT-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C[C@H](/N=C(/O)c1c[nH]c2cccnc12)[C@H]1C[C@H]2CC[C@H]1C2 329883869 RPSYLCUCRGRSEY-ZDEQEGDKSA-N 283.375 3.692 30 20 CHED CC1(C)CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 509510527 UAQXMFPOMXMHED-LBPRGKRZSA-N 291.782 3.912 30 20 CHED C#CCCCCC(=O)Nc1ccc(SC)cc1OC 192708627 WXSQOJZLQMIVPN-UHFFFAOYSA-N 277.389 3.549 30 20 CHED CCCCCCNC(=O)Nc1ccc(C#N)c(Cl)c1 48474435 WJTJNHBHOXGEBE-UHFFFAOYSA-N 279.771 3.913 30 20 CHED Cc1c(NC(=O)C[C@H]2CCC[C@@H]2C)ccc(C#N)c1C#N 421552266 BHBIIMSTJURYTA-WCQYABFASA-N 281.359 3.503 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 134389033 JMCIBFAKWOPDSU-CJNGLKHVSA-N 285.391 3.991 30 20 CHED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 424514907 BGQIHUFLDPURPQ-VHSSKADRSA-N 299.414 3.722 30 20 CHED N#Cc1cccc(-c2nc3cc(F)ccc3s2)c1 513855304 CPHVPOXGLLLICR-UHFFFAOYSA-N 254.289 3.974 30 20 CHED C=CCC1(C(=O)N2CCC=C(c3cccnc3)C2)CCCC1 516877094 PUVHLBVUJXKAQY-UHFFFAOYSA-N 296.414 3.834 30 20 CHED CC(=O)c1ccc(OCCC(C)(C)C#N)c(Cl)c1 132595315 HMERHZANQWIQEK-UHFFFAOYSA-N 265.740 3.861 30 20 CHED N#Cc1[nH]c(=NCc2csc3ccccc23)ccc1Cl 517577276 NCALVASQDZWRFP-UHFFFAOYSA-N 299.786 3.855 30 20 CHED C#CCCCC(=O)Nc1ccc(OCC)cc1C(F)(F)F 192231476 SUNBIOMWCKVRTG-UHFFFAOYSA-N 299.292 3.846 30 20 CHED N#Cc1cccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)c1 195252233 JGKNWYZSLVZXBW-RTBURBONSA-N 292.382 3.568 30 20 CHED C=CCCCCCSc1nc(=O)ccn1C(C)C 195440876 HBBKUKFDZVSNST-UHFFFAOYSA-N 266.410 3.663 30 20 CHED N#CCCCSCCOc1cccc(Cl)c1 190871814 PXAZABJZJIBKPT-UHFFFAOYSA-N 255.770 3.756 30 20 CHED CC1(C)[C@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 426451920 VYMRQZTYFJIQMI-GJZGRUSLSA-N 293.332 3.645 30 20 CHED CCc1cccc(C)c1NC(=O)NCc1cccc(C#N)c1 43156563 AGAZCCPCULYNTN-UHFFFAOYSA-N 293.370 3.751 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc([C@H]2CCOC2)cc1 424843871 CHYVRXHIWGCAJN-AWEZNQCLSA-N 273.376 3.731 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@]12CCC[C@H]1C2 421544620 ZECMXNROBAHCFU-WMZOPIPTSA-N 269.388 3.782 30 20 CHED C=CCC[C@@H](C(=O)N1Cc2cccnc2C1)c1ccccc1 518172192 CPVJRUXHDOEDPQ-QGZVFWFLSA-N 292.382 3.674 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1cc(C)ccc1OC 429918273 FCHVPQRDNWSSRW-ZDUSSCGKSA-N 275.392 3.783 30 20 CHED Cn1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)cn1 195385750 FMEPBANYHQXOMD-NSCUHMNNSA-N 287.171 3.685 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)s1 335771618 COKWXWLWCFMCSO-INIZCTEOSA-N 286.400 3.582 30 20 CHED N#CCc1ccc(C(=O)N2CCc3c(Cl)cccc32)cc1 336573177 LWOSRMANSXZOOH-UHFFFAOYSA-N 296.757 3.609 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](CC)c1ccc(C)cc1)OCC 339206620 SMTLFMDSEREMOA-SJORKVTESA-N 289.419 3.934 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)CC[C@H]2N(C)C 424881305 XLLPDOCJJWUXJY-MRXNPFEDSA-N 286.419 3.776 30 20 CHED C[C@@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[C@H](C#N)C1 424328719 OFTAOZKKMDHUJA-CORIIIEPSA-N 296.336 3.918 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@@H]1CCO[C@H](C)C1 330622703 OHZFJGSYKNCKEM-ZYHUDNBSSA-N 296.436 3.522 30 20 CHED N#Cc1cccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)n1 516768190 LOAHBCZGTUEQPG-OAHLLOKOSA-N 298.390 3.530 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc3c(c2)CCC=C3)n1 336334523 NKVSYFFWNRWLHZ-OAHLLOKOSA-N 294.379 3.901 30 20 CHED Cc1cccc([C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)c1C 333606012 VXVYOTCEOJJCFG-KXBFYZLASA-N 296.414 3.955 30 20 CHED Cc1cc(NC(=O)CC2=CCCCC2)c(C#N)cc1N(C)C 331123647 MXGDOCDPDKLRIG-UHFFFAOYSA-N 297.402 3.762 30 20 CHED N#C[C@@H](C(=O)c1ccc2c(c1)CCC=C2)c1ccccn1 334515843 JOSOKYLMWKSBOW-MRXNPFEDSA-N 274.323 3.531 30 20 CHED CC1(C)CCN(Cc2ccc(Cl)cc2C#N)CCS1 434706473 NCVMEZUMMUHLRU-UHFFFAOYSA-N 294.851 3.929 30 20 CHED C=CCC[C@H](NCc1cccc2c1OCCCO2)C1CC1 90546657 RURQOUHMEWELMS-INIZCTEOSA-N 287.403 3.682 30 20 CHED CC[C@@H](C)C[C@H](C)NCc1ccc(N(C)CCC#N)cc1 237020311 WYVBEHQRKQYXBC-CVEARBPZSA-N 287.451 3.951 30 20 CHED Cc1ccc(OCCNCC(C)(C)CCC#N)c(C)c1 525699796 RNDDKNDCYHRYEP-UHFFFAOYSA-N 274.408 3.602 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cncc(F)c1 90664665 XBBPJIYIPVSUAJ-SUMWQHHRSA-N 283.350 3.916 30 20 CHED COCc1ccc(NC(=O)CCC2CCCC2)cc1C#N 529817622 UAJFOFICFFAPDA-UHFFFAOYSA-N 286.375 3.614 30 20 CHED CSCC[C@](C)(C#N)NC(=O)CC1CCC(C)(C)CC1 344708560 PUWVRIPOXLSHDV-MRXNPFEDSA-N 296.480 3.744 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(OC3CCCC3)nc2)C1 520494295 XTGNMASVLHAWHN-OLZOCXBDSA-N 271.364 3.507 30 20 CHED CCOc1cccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c1 248912929 VQCNQDKODFTTJH-LZWOXQAQSA-N 272.392 3.818 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NC[C@H](C)C#N)cc1 248429148 BCBFUAYSUHWHHO-VYDXJSESSA-N 299.418 3.637 30 20 CHED C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1cccc(C#N)c1 341765746 AKSDPDYGZNOURC-FKIZINRSSA-N 287.359 3.707 30 20 CHED CC1CCC(N(C)C(=O)[C@@H](C#N)CCc2ccccc2)CC1 433223795 SVSARVWQGBXBBT-IIIMJFFVSA-N 298.430 3.796 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ncccc2SC)no1 347167282 SPPPVDMTEYAOAI-AWEZNQCLSA-N 275.377 3.707 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)Cc1sccc1C 348639871 ZWZUUNPILRUINW-UHFFFAOYSA-N 291.416 3.720 30 20 CHED Cc1cc(/C=C/c2ccncc2C#N)cc2cccnc12 349103770 CTWGPMHNQGDDLG-SNAWJCMRSA-N 271.323 3.980 30 20 CHED C=CCn1cccc1-c1nc(CCC(C)(C)C)no1 347215188 LCQUUQKSNRVRRA-UHFFFAOYSA-N 259.353 3.703 30 20 CHED C[C@H](CCC#N)CNCC[C@H]1CCc2ccccc21 602673756 NEWYEXQUASENCF-GDBMZVCRSA-N 256.393 3.636 30 20 CHED C=C(C)CSCc1cn(-c2ccc(Cl)cc2)nn1 431320106 XVZTWRKUAUZWKR-UHFFFAOYSA-N 279.796 3.730 30 20 CHED C[C@@H]1c2ccsc2CCN1c1c(C#N)cccc1C#N 436263328 GRNZGTLEIYUYGH-LLVKDONJSA-N 279.368 3.615 30 20 CHED O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc[nH]1 349982896 HPMDYKFTUVXYBC-UHFFFAOYSA-N 286.334 3.667 30 20 CHED N#Cc1ccc(C(=O)Nc2csc3ccccc23)o1 345858557 YPUHGMWVLRRPBF-UHFFFAOYSA-N 268.297 3.618 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 602560362 SWCPWBQKBMIISN-KBAYOESNSA-N 270.420 3.927 30 20 CHED C[C@H](CNc1cccc(F)c1C#N)N1CCc2ccccc21 520747879 JGNNNPJYEGAOHV-CYBMUJFWSA-N 295.361 3.560 30 20 CHED N#CCC[C@@H](NC(=O)c1ncccc1Cl)c1ccccc1 343333483 KKPIYPCIDVNZJC-CQSZACIVSA-N 299.761 3.510 30 20 CHED CN(C(=O)C[C@H]1C[C@@H]1c1ccccc1)c1ccc(C#N)cc1 341385422 OJRPTLFFIYJFBL-SJLPKXTDSA-N 290.366 3.715 30 20 CHED C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCCCC#N 343993917 OQXFNGLYMUPAEW-OAHLLOKOSA-N 299.418 3.863 30 20 CHED CCOC(=O)C[C@@H](C)SCCCCC(C)(C)C#N 436196548 VIMFMQPFGJFEPD-GFCCVEGCSA-N 271.426 3.781 30 20 CHED CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@H](C)c1ccc(C#N)cc1 251975120 DCZAQMZRGPKCFI-KCMWZYNZSA-N 296.414 3.904 30 20 CHED N#Cc1ccc(/C=C/c2nc(-c3ccccc3)no2)cc1 609473831 XJDUGMBYHVPIAD-ZHACJKMWSA-N 273.295 3.779 30 20 CHED CCN(Cc1cnc(C)s1)[C@@H](C)c1ccc(C#N)cc1 299131581 MCGJLXMOEKXWLZ-LBPRGKRZSA-N 285.416 3.906 30 20 CHED Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(C(C)C)n1 448593486 AUGHKNYAPZBLTJ-UHFFFAOYSA-N 293.370 3.832 30 20 CHED CC(C)CN1CCCC[C@H]1CNC1CCC(C)(C#N)CC1 449207236 PSQBRHIHZQNTDS-ADKAHSJRSA-N 291.483 3.559 30 20 CHED CC(C)Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1 608822665 HCLINFHTMWEJIJ-INIZCTEOSA-N 272.392 3.553 30 20 CHED CCN(CC#N)C(c1ccccc1)c1ccccc1 609315968 MRKZBLNBHHUWDS-UHFFFAOYSA-N 250.345 3.621 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 602283233 VGEYYGYYVKXNRK-BRWVUGGUSA-N 296.414 3.551 30 20 CHED Cc1cc(C)c(/C=C/CNCC2(C#N)CC2)c(C)c1 602644055 UMKATMOVHYNLDN-SNAWJCMRSA-N 254.377 3.518 30 20 CHED COc1ccc(C[C@@H]2CCCN(CC3(CC#N)CC3)C2)cc1 602784528 RYBXNROZJHHBSL-KRWDZBQOSA-N 298.430 3.644 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)CC1 600927070 PPVGCXOLFHGALM-ROUUACIJSA-N 298.430 3.930 30 20 CHED Cc1ccc(Oc2ccccc2CNC(=O)[C@H](C)C#N)cc1 609921933 XMQFIIPLOFOWGG-CQSZACIVSA-N 294.354 3.563 30 20 CHED C=C(C)COc1cccc(NC(=O)NCC2(C)CC2)c1 357734256 OQZFMXTUMQTYGC-UHFFFAOYSA-N 274.364 3.563 30 20 CHED CN(C)[C@H](CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 530857683 ZNHVFYJXZGYTNC-QGZVFWFLSA-N 299.805 3.926 30 20 CHED COc1ccc(Cl)cc1CN(C)CCC(C)(C)C#N 539566266 WDTSGSBDIXQPKC-UHFFFAOYSA-N 280.799 3.720 30 20 CHED N#CCCCOc1cccc(CN2CCc3ccccc32)c1 356965910 LPMVUYHWIILAEN-UHFFFAOYSA-N 292.382 3.932 30 20 CHED C[C@@H](c1noc(-c2ccc(C#N)cc2)n1)c1cccs1 357002397 NPAZDWCOKLFOGP-SNVBAGLBSA-N 281.340 3.822 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1ccccc1 263610805 WMRUTWPEJXNGIR-UHFFFAOYSA-N 254.333 3.813 30 20 CHED C=C1CCN(C(=O)c2ccc3sccc3c2)CC1 268355561 AUAKKFZRHGAURR-UHFFFAOYSA-N 257.358 3.694 30 20 CHED N#CCCN(CC1CC1)C(=O)Cc1cccc2ccccc12 264018862 FMGDJFSSQALAJA-UHFFFAOYSA-N 292.382 3.535 30 20 CHED C=C(C)COCCN[C@@H]1C[C@@H](C)c2c(C)cccc21 536843674 FLHQCXQDHUZJOJ-GDBMZVCRSA-N 259.393 3.726 30 20 CHED C[C@@H](CC#N)N(C)CCCc1c(F)cccc1Cl 447746936 QZYJMFJPTBZZAK-NSHDSACASA-N 268.763 3.646 30 20 CHED N#CCCCCNc1nc(-c2ccccc2)cs1 264235553 SULBUINRKDVTMG-UHFFFAOYSA-N 257.362 3.916 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@H](CCC#N)c2ccccc2)C1 359398607 LOZIWXXGFYZIQX-JKSUJKDBSA-N 284.403 3.974 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N(C)CC(C)(C)C#N 359741940 BEUQPJIVFLBKLG-SNVBAGLBSA-N 252.308 3.507 30 20 CHED C=CCNC(=O)Nc1ccc2nc(C(F)F)sc2c1 352637182 MGWKNWYMSCHOCM-UHFFFAOYSA-N 283.303 3.541 30 20 CHED CCN(CCNc1ccc(C(F)(F)F)c(C#N)c1)C(C)C 357234795 HCFIEIYUIOCEOG-UHFFFAOYSA-N 299.340 3.719 30 20 CHED Cc1noc(C)c1[C@H](C)CN[C@@H]1CCc2ccc(C#N)cc21 353265449 YKRGMCZDUXJEMZ-PIGZYNQJSA-N 295.386 3.544 30 20 CHED CC(C)(C)C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(F)(F)F 442831457 WIAUWGFLMCZYDB-AXFHLTTASA-N 262.319 3.635 30 20 CHED COc1ccc(C)cc1CN[C@H](C)c1cccc(C#N)c1 610344604 AFENKFNABIQYNU-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCCCN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 533932229 DMIDIKMODYFIIV-OAHLLOKOSA-N 297.345 3.628 30 20 CHED CCOc1ccc(CNc2cc(C#N)ccc2OC)cc1 354854606 QZDLWRICBNTQBP-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C=C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)OC 619689109 NQGBQYZWFZDUDR-UONOGXRCSA-N 262.374 3.525 30 20 CHED N#C[C@H]1CC[C@H](NCc2cc(Cl)cc(Cl)c2)C1 613661331 ANNIRTIZRZIRSE-ZANVPECISA-N 269.175 3.775 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)[C@H](C#N)CCc1ccccc1 457283113 NLUCCAVUIGKFEL-YQVWRLOYSA-N 298.430 3.700 30 20 CHED C=CCCC(=O)N1c2ccccc2CC[C@H]1C(C)C 536313017 DFOMPCMGDISKLM-HNNXBMFYSA-N 257.377 3.957 30 20 CHED N#Cc1ccc(CN2CC(C3CCCCC3)C2)s1 459584873 ANTYGVOUWHTHNN-UHFFFAOYSA-N 260.406 3.632 30 20 CHED C=CCCNC(=O)C[C@H](C)c1ccc(C(C)C)cc1 617616143 LBTFSLLSKAABRR-AWEZNQCLSA-N 259.393 3.996 30 20 CHED C=CCCC[C@H](C)N1CCC(c2noc(C3CC3)n2)CC1 360359129 IQHOHGGFWQOKQY-ZDUSSCGKSA-N 289.423 3.871 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(F)c(C)c1 452317022 DPMKQRNGDDWRSL-WBMJQRKESA-N 263.356 3.914 30 20 CHED N#C[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 459665240 KFAQZGWWFCNTAH-KZWBYHQPSA-N 278.758 3.617 30 20 CHED C=CCC1(NC(=O)c2cc[nH]c2CC)CCCCC1 456375693 YMZXRVWXENZALT-UHFFFAOYSA-N 260.381 3.586 30 20 CHED Cc1c(Cl)cnc(Nc2cnn(C(C)(C)C)c2)c1C#N 612073323 NEXPQRFGROKLJG-UHFFFAOYSA-N 289.770 3.610 30 20 CHED Cc1ccc2c(OCc3cccc(C#N)c3)cccc2n1 546072979 GCIMWQPMXNPRLF-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=C(C)CNC(=O)Nc1cc(-c2cncc(F)c2)ccc1C 549060005 SRDRCDZXUIMOAU-UHFFFAOYSA-N 299.349 3.894 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc2c(n1)CCC2)c1ccccc1 456636457 GXNCNFWKUIUDIS-MRXNPFEDSA-N 292.382 3.869 30 20 CHED C[C@H]1C[C@H](C)CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 454169840 QVBBHECOLCQGKL-GJZGRUSLSA-N 298.430 3.631 30 20 CHED C=CCN(C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)C1CC1 271358864 FFCPVNFHVCJBFH-KGLIPLIRSA-N 272.392 3.539 30 20 CHED N#Cc1ccccc1-c1ccc(CN2CC[C@H](F)C2)cc1 451188930 DYEMFMITRVTRCE-KRWDZBQOSA-N 280.346 3.769 30 20 CHED N#CCC1CCN(C(=O)NCCC2=CCCCCC2)CC1 546625991 PXRHKHDUVMTPJL-UHFFFAOYSA-N 289.423 3.602 30 20 CHED C=C(C)CCNC(=O)C[C@@H](c1cccs1)n1cccc1 452716090 GLOKLQGTQBDNST-AWEZNQCLSA-N 288.416 3.612 30 20 CHED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1[C@H](C)CCC#N 276285197 GNNSCROVHXTLFG-VNHYZAJKSA-N 260.356 3.696 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1 454344289 NJYQAATUILJEIO-LSDHHAIUSA-N 285.391 3.700 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H](C)C1CCC1 457542089 REMYKNHQFVEUFG-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED CC1(C)CCCN(Cc2ncc(-c3ccccc3)o2)[C@H]1C#N 277764128 MKVFFBPCXWISQC-INIZCTEOSA-N 295.386 3.856 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)Nc1ccccc1CC#N 549715396 LMQYRYVQNMRASX-ZDUSSCGKSA-N 296.345 3.709 30 20 CHED Cn1c(C#N)ccc1-c1nc([C@@H]2CCCC(C)(C)C2)no1 453166409 APPLJFCIQJBMMG-LLVKDONJSA-N 284.363 3.631 30 20 CHED Cc1cccnc1[C@H](NCc1ccc(CC#N)cc1)C(C)C 543140282 SMFJICYOFKCINO-GOSISDBHSA-N 293.414 3.943 30 20 CHED C=C[C@H](CC(=O)NCC1=CCCC1)c1ccccc1 620007003 KJFRKMOXHIFYHH-OAHLLOKOSA-N 255.361 3.573 30 20 CHED C=C(CC)CS[C@H](C)C(=O)Nc1cccc(F)c1 540193200 DFYAALVCSOFHEX-LLVKDONJSA-N 267.369 3.852 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)Cc1cccc(Cl)c1Cl 279531974 SIUODKCBLOWWLT-NSHDSACASA-N 299.201 3.590 30 20 CHED C=C(C)[C@@H](NCCCCCCO)c1ccc(F)c(F)c1 274860159 HVKSMCXAPYPLGU-MRXNPFEDSA-N 283.362 3.724 30 20 CHED CC1(C)CCCN(C(=O)c2cccc(C(F)F)c2)[C@@H]1C#N 278078581 XPUYREJKRVJMIW-CYBMUJFWSA-N 292.329 3.779 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@@H](CC)O1 464959600 ALIFXMBTMXSSLM-HZPDHXFCSA-N 279.424 3.539 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCC1CC1 466400091 RSFJHQQHQKZJJM-UHFFFAOYSA-N 264.413 3.564 30 20 CHED Cc1ccnc(NCc2ncoc2-c2ccccc2)c1C#N 371695387 FSWSAHVNQQUGOG-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@@H](C)c1ccc(C)cc1 628258524 HLJFAMBHCOGTBA-NJAFHUGGSA-N 273.420 3.669 30 20 CHED CC#CCCCC(=O)Nc1nc(CC(C)(C)C)cs1 466736034 OUSLCDVDDGAHKJ-UHFFFAOYSA-N 278.421 3.864 30 20 CHED CCc1cccc(OCCN[C@H](C)c2ccc(C#N)cc2)c1 558734253 JAZBVVXVEZTJBF-OAHLLOKOSA-N 294.398 3.850 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccccc1)C(F)(F)F 462822044 NJCZAXKPAOCLRF-ILXRZTDVSA-N 299.336 3.861 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCCC[C@H]1CC 558452336 LMKVCSCLTYEWKX-MRXNPFEDSA-N 296.418 3.900 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](CC)C1CCC(C)CC1 461674289 WTWMLDFVNYSEEG-HXSCFSKGSA-N 251.414 3.920 30 20 CHED C[C@@H](C(=O)NC(C)(C)c1ccccc1)c1cccc(C#N)c1 463676554 JUMSFOUTDLXAKJ-CQSZACIVSA-N 292.382 3.713 30 20 CHED C=CCCN(C)C(=O)C1(c2ccc(F)cc2)CCCC1 466649912 RPMIMQKARKMBFT-UHFFFAOYSA-N 275.367 3.672 30 20 CHED C=CCC[C@H](NC[C@H]1CCO[C@H](C)C1)c1ccco1 285901833 CUCVHFHCOXMXNT-ILXRZTDVSA-N 263.381 3.692 30 20 CHED Cc1c([C@H](NC(=O)[C@H](C)C#N)C(C)C)oc2ccccc12 467540138 OLTCDWNOLJZBRB-IAQYHMDHSA-N 284.359 3.714 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1cccc2ccsc12 464712083 NZUBAFQXFIIWGM-LBPRGKRZSA-N 272.373 3.569 30 20 CHED C=CCCO[C@H](C)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 286627831 RUPPUXBWHUCOME-UXLLHSPISA-N 287.403 3.577 30 20 CHED C=CC[C@@H](C(=O)NCCSC(C)C)c1ccccc1 286548145 ANLDXTLFMBSOCF-OAHLLOKOSA-N 277.433 3.604 30 20 CHED C=CCC[C@@H](NCc1ccccc1CO)c1ccco1 552044566 GOBBTNDOQOLKET-MRXNPFEDSA-N 271.360 3.569 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](C)C1 559012028 IGVIPGMSCUYVAU-OKILXGFUSA-N 290.455 3.535 30 20 CHED C=CCCCCCNc1ccc2ccn(C)c(=O)c2c1 551360670 GTKRKWFVMAASDR-UHFFFAOYSA-N 270.376 3.697 30 20 CHED C=C(C)CCNc1ccccc1C(=O)N(CC)CC 288716980 LRBFCXLHTCNFFQ-UHFFFAOYSA-N 260.381 3.547 30 20 CHED CC(C)c1[nH]ccc1C(=O)N[C@@H](CCC#N)c1ccccc1 285842894 TUSVSUPXDGCRGP-INIZCTEOSA-N 295.386 3.913 30 20 CHED C/C(=C/c1ccccc1)CN(C)CCC(C)(C)C#N 554263227 IDHQDKQRMYYSNC-QINSGFPZSA-N 256.393 3.962 30 20 CHED Cc1cccc2cc(C(=O)N3CCC(C#N)CC3)sc12 289937556 ZHAZYHSYNKLTTI-UHFFFAOYSA-N 284.384 3.586 30 20 CHED C=CCCCCNC(=O)C[C@H](C)c1cccc(F)c1 471708352 CMUSUGUOAKEJMT-ZDUSSCGKSA-N 263.356 3.792 30 20 CHED C=C[C@H](CC(=O)N1CC(C)(C)[C@@H]1C1CC1)c1ccccc1 291115438 MXIZDJPAGAABIN-KDOFPFPSSA-N 283.415 3.993 30 20 CHED CC[C@H](NC(=O)CCCC#N)c1ccccc1OC(F)F 292565956 JYNKZBSSTNIYQD-LBPRGKRZSA-N 296.317 3.549 30 20 CHED N#CCCCC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 291114515 DUYUMCVDDXCQRX-IAGOWNOFSA-N 280.371 3.527 30 20 CHED COc1cc(Cl)ccc1COc1ccccc1C#N 475941001 RQVWPFHMPCTWCW-UHFFFAOYSA-N 273.719 3.799 30 20 CHED Cc1cc(Cl)cc2nc(SCCO[C@H](C)C#N)oc12 801658127 PRDLCHDEFHTCTE-SECBINFHSA-N 296.779 3.810 30 20 CHED Cc1cc(C)c(CCNc2cccc(C#N)n2)c(C)c1 564246365 FCWXIDMNTATZJU-UHFFFAOYSA-N 265.360 3.533 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(OC(C)(C)C)cc1 648196511 DFURNCTYWGZVPW-UHFFFAOYSA-N 275.392 3.692 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCC#N 291050868 ZJSCWRQJEDUVED-UHFFFAOYSA-N 285.174 3.646 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 801688948 BLKYWCVYVSOVLJ-LBPRGKRZSA-N 289.272 3.751 30 20 CHED N#Cc1ccc(-c2cccc(C(=O)O)c2)cc1C(F)(F)F 566291775 UNLKFXQKCAJZRY-UHFFFAOYSA-N 291.228 3.942 30 20 CHED N#Cc1ccc(CNCCCCc2ccc(Cl)s2)o1 560077755 ZCBVZCGPVIZHEJ-UHFFFAOYSA-N 294.807 3.979 30 20 CHED N#CCCN(C(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1ccc(F)cc1 562515929 BJLQSOFRZNKNMI-HEHGZKQESA-N 286.350 3.509 30 20 CHED C=CCC[C@H](N[C@@H]1CCS[C@@H]1C)c1ccco1 647359882 MNFFZLUWKALRBO-UPJWGTAASA-N 251.395 3.771 30 20 CHED CCCN(c1ccnc(C#N)n1)[C@H](CC)c1ccccc1 565219881 ANNQHSOCIYPKKL-OAHLLOKOSA-N 280.375 3.716 30 20 CHED CC(=NOC/C=C\Cl)c1csc(Cl)c1 811670276 OBRCXTNYQJGWMS-UCUMMZLBSA-N 250.150 3.895 30 20 CHED C#C[C@H](NC(=O)N[C@H](c1cccs1)C1CC1)C(C)(C)C 811998340 WORUADQPLGOULJ-KBPBESRZSA-N 290.432 3.546 30 20 CHED C#C[C@@H](/N=C/c1ccccc1O)c1ccc(Cl)cc1 811625734 UTQLHTGLJANTPW-CLXYIWAZSA-N 269.731 3.839 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2Cc1ccc2oc(C(=O)O)cc2c1 659801278 CUVRGRNCYAMSER-GASCZTMLSA-N 297.354 3.814 30 20 CHED CC#CCCOC(=O)CCCc1ccccc1Cl 810663824 HLRULPSVPOOORK-UHFFFAOYSA-N 264.752 3.619 30 20 CHED C=CCCCCCCCNC(=O)NCc1cnc(C)s1 811870958 JVTXHFPFYFGRGK-UHFFFAOYSA-N 295.452 3.777 30 20 CHED CCC(=NNc1c(C)cccc1F)c1cccc(N)c1 814904939 GJADKLKWJUNLOH-UHFFFAOYSA-N 271.339 3.943 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(F)c(SC)c1 488812051 DIUHDTSVWSXQMB-LBPRGKRZSA-N 279.380 3.728 30 20 CHED COCC(=NNc1ncccc1C)c1ccc(Cl)cc1 814911568 NVMGAYYUTBNHQB-UHFFFAOYSA-N 289.766 3.506 30 20 CHED C#Cc1ccccc1CC(=O)N1c2ccccc2CC[C@H]1C 812832791 GBJAOCMOPUJITP-OAHLLOKOSA-N 289.378 3.578 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC(C)(C)CCOC 657974007 KTZVGPBFGUYVHF-CABCVRRESA-N 253.430 3.774 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1cc(Cl)ccn1 814898279 NOFBLBHUDLLXKC-LLVKDONJSA-N 276.771 3.853 30 20 CHED Cc1ccc(N2CCN([C@@H]3CC[C@@H](C#N)C3)[C@@H](C)C2)cc1C 815057602 VWVDZRHNTQPURW-YQVWRLOYSA-N 297.446 3.506 30 20 CHED C=CCCC[C@H](C)NCc1ccc(N(C)C(C)C)nc1 480307772 MXTYEPYKKCRCKQ-HNNXBMFYSA-N 275.440 3.761 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(Cl)c([N+](=O)[O-])c1 811670904 IBYQZGRZRQZDMH-WLWPVCBVSA-N 289.118 3.741 30 20 CHED C#CCON=Cc1cc(C)n(C2CCCCC2)c1C 812234686 QLNHSUGJWUDPAY-UHFFFAOYSA-N 258.365 3.594 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cc(O)ccc1C 816895767 SXCQKAABGDWJRR-UHFFFAOYSA-N 299.345 3.668 30 20 CHED Cc1ccc(F)cc1C(=O)OCc1ccc(F)cc1C#N 728621544 MOQNHTZIUJRETR-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OCC)c(Cl)c1 481608555 FKCWTLAHZFBKGX-UHFFFAOYSA-N 282.771 3.779 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCCc2occc21 814824165 LLJUZGWAAMYAJX-UHFFFAOYSA-N 285.303 3.649 30 20 CHED CC1(C)CC(=NNc2ncc(Cl)cc2Cl)C1 814740771 XBOWTZWLUGHGHE-UHFFFAOYSA-N 258.152 3.976 30 20 CHED C[C@@H](C(=O)NC(C)(C)C(C)(C)C)c1cccc(C#N)c1 480736920 RWURFHGHWPRTGQ-GFCCVEGCSA-N 272.392 3.603 30 20 CHED C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1nccn1CC 658029988 UTTOCBCWADZKRH-RBSFLKMASA-N 261.413 3.689 30 20 CHED C=CCNC(=S)N[C@H](CCCC)c1ccc(OC)cc1 728450681 DFFPGCQZGNZIIQ-OAHLLOKOSA-N 292.448 3.577 30 20 CHED C=CCC(CC=C)c1nc([C@H]2CCOC(C)(C)C2)no1 651443702 ICBMWXJVKGFEPT-ZDUSSCGKSA-N 276.380 3.978 30 20 CHED C=CCCCC[C@H](C)NCc1c(C)nn(CC)c1C 573911530 XNWCFRXPFOBMMK-ZDUSSCGKSA-N 263.429 3.744 30 20 CHED Cc1cc(C)cc(C(=O)OCc2ccc(F)cc2C#N)c1 728613363 CZBPBKTZACRWJZ-UHFFFAOYSA-N 283.302 3.671 30 20 CHED Cc1ccc(C=NNc2cccc3cnccc23)cc1 728431725 AGHYIPPZTUSQNX-UHFFFAOYSA-N 261.328 3.989 30 20 CHED COc1cccc(NN=C2CCCOc3ccccc32)c1 728426099 UPWNFLVAMHDDTN-UHFFFAOYSA-N 282.343 3.684 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 823284526 QDTLKQDPULCCPW-KBPBESRZSA-N 270.376 3.680 30 20 CHED C#Cc1cccc(CNCc2cnc(C3CCC3)s2)c1 825227374 SSLJMQSHPJXYEX-UHFFFAOYSA-N 282.412 3.682 30 20 CHED C#CCN(C)C(=O)Nc1ccc2c(c1)oc1ccccc12 491044264 GQISRIUMSHRBPW-UHFFFAOYSA-N 278.311 3.683 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)O 901689912 HZFADKKSYCDEQF-KFWWJZLASA-N 281.440 3.990 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(F)cc(C(C)=O)c(F)c1F 904132011 QCQKMKRWYXBCNR-VIFPVBQESA-N 299.292 3.847 30 20 CHED C=CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3)s2)C1 661384360 IMQJPSQCNBPYCE-CQSZACIVSA-N 299.443 3.993 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C#N)Cc1ccc(F)cc1F 820585355 YHLUXPSGZHHVCS-ZDUSSCGKSA-N 293.313 3.545 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(SC(F)F)nc1 827420765 UJBXUQZUFMLMEV-UHFFFAOYSA-N 272.320 3.547 30 20 CHED C=CCCCOC(=O)c1ccc2nc(C(F)F)[nH]c2c1 735536861 STJITBIUSOQTSM-UHFFFAOYSA-N 280.274 3.624 30 20 CHED N#CC1(CCCCN2CCCC[C@@H]2CCC(=O)O)CCC1 903702582 YGDJBWRKQDYKKD-OAHLLOKOSA-N 292.423 3.570 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cccc(OCC#N)c1 733749349 KOTKEAXHXQFWKV-WAYWQWQTSA-N 283.352 3.855 30 20 CHED C=CCCN1C[C@@H](c2cccc(F)c2)OCC1(C)C 661735259 BHDSMIDUPVIMSY-HNNXBMFYSA-N 263.356 3.554 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 821050158 SYCSNMOGPPNKLC-JTQLQIEISA-N 284.186 3.830 30 20 CHED Cc1ccc(C2CC2)c(C(=O)NCc2ccc(C#N)s2)c1 582601899 ZIVRGKYUDDCRQG-UHFFFAOYSA-N 296.395 3.736 30 20 CHED CC(C)[C@H]1C[C@H](NCC2(C#N)CC2)c2ccccc21 903106876 XSWMJNMIMSFNNO-CVEARBPZSA-N 254.377 3.764 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC[C@H](OC)C(CC)CC 495259173 JUCKPEQLIBOOSO-CVEARBPZSA-N 296.455 3.578 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1cccc2ncccc12 904069892 QBGXPSHWFYLPAJ-ZDUSSCGKSA-N 268.360 3.800 30 20 CHED COc1cc(C)c(C(C)=NNc2ccccc2)cc1OC 731311275 ALDGVVPZUSNPDA-UHFFFAOYSA-N 284.359 3.848 30 20 CHED CC(C)(C)CCC(=O)OCc1cc(C#N)ccc1F 738800930 ZWBNXLUIESZCOG-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](CC(C)(C)C)C(=O)O 901805211 GDQDZYYVHMVCKT-OLZOCXBDSA-N 255.402 3.600 30 20 CHED CC[C@@H](C)C=NNc1cc(Cl)ccc1[N+](=O)[O-] 835009012 MRDZLQAEMFRONJ-MRVPVSSYSA-N 255.705 3.692 30 20 CHED N#CC1(CCCCOc2nnc(-c3ccccc3)o2)CCC1 901461625 OOUIHEKAYJFKNP-UHFFFAOYSA-N 297.358 3.980 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H]([C@H]2CCNC2)C1 831742243 YDAIRWLWWVFAEC-IRXDYDNUSA-N 294.483 3.585 30 20 CHED CCCC[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc(C#N)c1 589642266 KRRMOZSXMBKUKQ-KBPBESRZSA-N 287.407 3.839 30 20 CHED C=CCOCc1nc(C(C)(C)C2=CCCCC2)no1 581408851 DBWIOICRIGTSBW-UHFFFAOYSA-N 262.353 3.550 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1OCC#N 839303099 VKPIZTXVMJREDV-LBPRGKRZSA-N 292.354 3.739 30 20 CHED CCCCCCCC(=O)Nc1cccc2c1CN(C)C2=O 839820583 DRVXPXNCQYIPOX-UHFFFAOYSA-N 288.391 3.571 30 20 CHED CC(C)[C@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)CC1 734108696 NWYPHEKEJNYTFX-YDZSZYSISA-N 296.414 3.856 30 20 CHED CCc1onc(C)c1C=NNc1cccc2c1CCCC2 901170147 JBLVEDYAHYBSPC-UHFFFAOYSA-N 283.375 3.870 30 20 CHED CC(Cn1nc(C)cc1C)=NO[C@@H](C)c1ccccc1 902699418 HEWURSNDDNNWHP-HNNXBMFYSA-N 271.364 3.654 30 20 CHED CC(C)(C)C#CC(=O)NCc1ccccc1OC1CCCC1 837350830 FRPVMRFOYORVEU-UHFFFAOYSA-N 299.414 3.674 30 20 CHED CCC#C[C@@H](C)Sc1nnc(SCC)s1 671144293 RNBQWDHGHLNNIB-MRVPVSSYSA-N 258.437 3.544 30 20 CHED CC[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 839053247 QRGGINYJZACWKF-MAZHCROVSA-N 289.350 3.945 30 20 CHED C=CCC[C@H](C)NCc1ccc(-c2cnco2)cc1 906526192 RNYUCEYPIXZQLS-ZDUSSCGKSA-N 256.349 3.786 30 20 CHED CC(=NNc1nc(-c2ccncc2)no1)[C@H]1CCCC[C@H]1C 834951627 BJPHWDWZDPJQCL-RISCZKNCSA-N 299.378 3.746 30 20 CHED Cc1ncc(C(=O)N(O)Cc2cccc3ccccc23)s1 900091708 JGNATFFJWWANMT-UHFFFAOYSA-N 298.367 3.636 30 20 CHED CC#CCCCC(=O)OC[C@@H]1CCCCC1(F)F 835641776 KKOMEVCNBFGHSF-LBPRGKRZSA-N 258.308 3.549 30 20 CHED CC(C)c1cnc(SCC2(C#N)CCCC2)n1C 917157781 OTMHZXHPBXBRPV-UHFFFAOYSA-N 263.410 3.720 30 20 CHED CC(=O)Nc1ccc(N=Cc2ccccc2O)cc1Cl 839387453 PZFDIPWIEXFOBL-UHFFFAOYSA-N 288.734 3.755 30 20 CHED CC(C)O[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 593055741 OFUWXEWCGDFVRW-PBHICJAKSA-N 272.392 3.509 30 20 CHED C=CCN(C(=O)c1cnn(-c2cccc(C)c2)c1C)C(C)C 915153742 VEYHOGXGSUXPRJ-UHFFFAOYSA-N 297.402 3.526 30 20 CHED CN(CC1CCC1)c1c(C#N)cnc2c(F)ccc(F)c12 742407286 HMTVQBWAMPYKSD-UHFFFAOYSA-N 287.313 3.621 30 20 CHED CC(C)(C)c1nc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cs1 839049094 HIOINDQYHMXXPT-GHMZBOCLSA-N 292.404 3.680 30 20 CHED N#CCN(C(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1 592651710 YXADANIIVOVVHI-LBPRGKRZSA-N 274.751 3.553 30 20 CHED O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])Oc2ccccc21 742435364 AAOPSUAYHFITGR-LWRLPXSWSA-N 293.278 3.767 30 20 CHED Cc1sccc1C=NN[C@@H]1CCc2c(F)cccc21 835021595 PMBFECXPZFPQJT-OAHLLOKOSA-N 274.364 3.807 30 20 CHED Cc1ccc(-c2ncco2)cc1NCC1(CC#N)CC1 594703745 WADGJFYLWIQVES-UHFFFAOYSA-N 267.332 3.756 30 20 CHED Oc1cccc(C=NNc2ccccc2C(F)(F)F)c1O 916260006 TWEDTRSVVDYHGU-UHFFFAOYSA-N 296.248 3.563 30 20 CHED C=CCN(C(=O)[C@@H](C)CCc1ccccc1F)C(C)C 742638855 MJGXMBCMZZQUAO-AWEZNQCLSA-N 277.383 3.817 30 20 CHED CCCCCCCCOCC(=O)N[C@H]1CCC[C@@H]1C 741559234 IEKARRFQAXOFKQ-GJZGRUSLSA-N 269.429 3.668 30 20 CHED C#CCOc1ccc(NC(=O)/C=C(/C)C(C)(C)C)cc1 742649565 OWJKFSRPLIZMCV-SEYXRHQNSA-N 271.360 3.630 30 20 CHED COCc1csc(CNC2(c3cccc(C#N)c3)CC2)c1 594960710 WCMNYXBZWAFEPX-UHFFFAOYSA-N 298.411 3.545 30 20 CHED C=CCN(C(=O)[C@H]1CCc2c(Cl)cccc21)C1CC1 678863616 XMKKKYOURUCSMZ-AWEZNQCLSA-N 275.779 3.547 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1cc(C)oc1C 844626770 CPQWZPJMZHIJTK-UHFFFAOYSA-N 286.331 3.739 30 20 CHED C=C[C@@H](C)ON=C1CCC[C@H](c2ncccc2C)C1 844625636 NWHDNMRKECDUSE-KGLIPLIRSA-N 258.365 3.995 30 20 CHED CCc1nc2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2s1 592524046 TZNGETHTEUQOPX-WDEREUQCSA-N 271.389 3.963 30 20 CHED COc1cc(C)c(NCC2(CC#N)CC2)c(C)c1C 849316886 NYORYQYHXMVGEU-UHFFFAOYSA-N 258.365 3.726 30 20 CHED Cc1ccc2c(OCC3(CC#N)CC3)cccc2n1 596270209 WFSIFNKHWGOELW-UHFFFAOYSA-N 252.317 3.616 30 20 CHED Cc1oc(C)c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1C 749062548 PKFFHGPUBIHMLH-LBPRGKRZSA-N 283.327 3.995 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1scnc1C 742431769 NYHPBIMONDTXCI-SREVYHEPSA-N 273.357 3.665 30 20 CHED C=CCCCC(=O)OCC(=O)c1cccc2ccccc12 748235049 WBXDASGGTJXCQY-UHFFFAOYSA-N 282.339 3.922 30 20 CHED CC[C@@H](C#N)C(=O)NCCCc1c(Cl)cccc1Cl 594396890 HFTALRXROJKJLJ-JTQLQIEISA-N 299.201 3.592 30 20 CHED COc1ccc([C@@H](C)/N=C\c2cccc(OC)c2O)cc1 745624120 FZPURLRNSASNRO-OTWJJXBCSA-N 285.343 3.590 30 20 CHED CC(C)(C)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842938534 MSJXYCAXRNKOJU-JTQLQIEISA-N 262.378 3.633 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc(N)ccc1C 841319443 XFUKXFNGGUFVSA-UHFFFAOYSA-N 275.396 3.787 30 20 CHED CCC(C#N)(CC)c1nc([C@@H]2CCc3ccccc3C2)no1 599138354 ZXYJCUNNDRTWFX-OAHLLOKOSA-N 295.386 3.923 30 20 CHED C=CCN(C(=O)N[C@H](C)c1c(F)cccc1F)C(C)C 918101329 JGONTJUIWGSOSX-LLVKDONJSA-N 282.334 3.632 30 20 CHED C#CCOc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CCC)cc1 742801838 JBBGWLVJKZEDLQ-MAUKXSAKSA-N 299.414 3.739 30 20 CHED Cc1ccc(-c2ncc(CN3CC(C)(C#N)C3)s2)cc1C 594605906 GFLXVOFFFLQEEI-UHFFFAOYSA-N 297.427 3.772 30 20 CHED CCCCNN=C(C)c1cnn(-c2cc(C)ccc2C)c1C 741760992 GRNNNVAHAHJEAI-UHFFFAOYSA-N 298.434 3.911 30 20 CHED Cc1c(NN=C(C(C)C)C2CC2)cccc1C(=O)O 844624515 QQYGVPHVSXJMHY-UHFFFAOYSA-N 260.337 3.527 30 20 CHED CCCc1ccc(CN(C)CC(C)(C)C#N)s1 598676722 VMXOTXZMQICIJV-UHFFFAOYSA-N 250.411 3.682 30 20 CHED C=C(C)CCOC(=O)CCc1ccccc1Cl 744304178 OPOUCTYQROPHNR-UHFFFAOYSA-N 252.741 3.782 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)CCC=C(C)C 599984228 RKPBVDCNVLURAF-ZDUSSCGKSA-N 250.386 3.567 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@](O)(CC)c1ccccc1 840412092 KTYKQQGTNAINNU-MAUKXSAKSA-N 289.419 3.535 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1 742437258 RTWXLMMBJSKDSI-RMKNXTFCSA-N 264.324 3.921 30 20 CHED C[C@@H]1CN(c2ccc(F)cc2C#N)Cc2ccccc21 742390001 PYYBUSUUQCCRTE-GFCCVEGCSA-N 266.319 3.821 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(CCC#N)CC(C)C 747825822 HNJXFUZVUXOSON-KBPBESRZSA-N 290.432 3.558 30 20 CHED COCC1(C(=O)OCCC2(C#N)CCCCC2)CCCC1 840583886 XWWMDGUAPGNNII-UHFFFAOYSA-N 293.407 3.601 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCc2ccc(C)cc21 682379717 FRNARBBQKORVMU-DOTOQJQBSA-N 257.377 3.701 30 20 CHED CCCC1(C(=O)OCc2ccccc2C#N)CCC1 759448376 MHWNNURKWGXGJC-UHFFFAOYSA-N 257.333 3.572 30 20 CHED C[C@H](CCc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1O 920942974 WFBQPYSKLGBAAL-FDIDITGRSA-N 298.342 3.741 30 20 CHED Oc1ccccc1/C=N\C[C@@H](O)c1cc2ccccc2s1 757528089 SYLQKHGZIDAFKG-YQYFLZKSSA-N 297.379 3.759 30 20 CHED FC(F)(F)CON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853321401 NNMIQFVUIXKXOS-JGVFFNPUSA-N 277.208 3.920 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1coc(CC)n1 851143259 KDJSEVMHZQMDRV-WCQYABFASA-N 263.337 3.529 30 20 CHED Fc1ccc(NN=Cc2nc(Cl)cs2)c(F)c1 758092037 YZFFHIYUSBWUQQ-UHFFFAOYSA-N 273.695 3.521 30 20 CHED Cc1csc([C@H](N[C@H](C)CC(C)(C)C#N)C2CC2)n1 925145691 CCHDFJMPRHHOJW-ZWNOBZJWSA-N 277.437 3.821 30 20 CHED C[C@@H](CC(=O)OCc1ccc(F)cc1C#N)c1ccco1 859815715 WZEUPOGQVWONAR-NSHDSACASA-N 287.290 3.527 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccccc1Cl)OCC 756479424 ZNOBJYPILHHCGH-AWEZNQCLSA-N 282.767 3.755 30 20 CHED C=C(Cl)C[S@@](=O)Cc1cccc(C(C)C)c1 853072867 CKRURULQTHWASC-MRXNPFEDSA-N 256.798 3.811 30 20 CHED C/C(=C/C(=O)N(CCC#N)CC(C)C)c1ccc(F)cc1 751373010 DJYVYNOQPSVOLS-KAMYIIQDSA-N 288.366 3.627 30 20 CHED C=C(Cl)CN1CCC[C@@H]1c1ccccc1OC 69610801 YJKOHIWZWLJKSQ-CYBMUJFWSA-N 251.757 3.585 30 20 CHED C=C(Cl)COc1ccc(C(F)(F)F)nc1C 853700909 WTLRACYDTQWEDY-UHFFFAOYSA-N 251.635 3.540 30 20 CHED CC[C@@](C)(NCc1ccccc1C#N)c1ccccc1 756025893 NRSWCCWVGZYQPF-GOSISDBHSA-N 264.372 3.973 30 20 CHED CC(=NNc1cncc(Br)c1)c1ccsc1 758130861 XJBSXCOMOLBTMK-UHFFFAOYSA-N 296.193 3.742 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1cc(F)cc(F)c1 755703538 DIWUAPIGXODLEU-BJMVGYQFSA-N 290.240 3.763 30 20 CHED C=CCCOC(=O)[C@@H](C)CSc1ccc(F)cc1 756235876 AWKOILGTAZMQLQ-NSHDSACASA-N 268.353 3.673 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(C)c(SCC#N)s1 931387213 DCDBNHDELBVSQO-SNVBAGLBSA-N 295.433 3.608 30 20 CHED COc1ccc(C(C)=NNc2cccc(C)n2)c(C)c1 863160579 KRPZJJCXDZVNPS-UHFFFAOYSA-N 269.348 3.543 30 20 CHED N#CC1CCN(c2nc(Cl)cc3cc(F)ccc23)CC1 865484171 UMBMYPQGWBYHDD-UHFFFAOYSA-N 289.741 3.767 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@@H](CCC)C(C)C 764272372 IEFIVKBRNARMGD-AWEZNQCLSA-N 291.366 3.849 30 20 CHED CCCCC(CC)=NNc1nccc(N(CC)CC)n1 762616758 HRBBJNQKPRPBEG-UHFFFAOYSA-N 277.416 3.691 30 20 CHED C#CCCCCCc1nc(Cc2cc(F)cc(F)c2)no1 761634778 AWSYVEJNDKKKRT-UHFFFAOYSA-N 290.313 3.675 30 20 CHED COc1ccc2oc(CNCc3ccc(C#N)cc3)cc2c1 763455581 VFAPSANXFROBBE-UHFFFAOYSA-N 292.338 3.603 30 20 CHED C#CCCN(Cc1ccc([C@H]2C[C@H]2C)o1)CC(F)(F)F 768531584 FSAVGRYJSGPAFZ-YPMHNXCESA-N 285.309 3.791 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1cscn1 767900191 GIZFANIFGKLZJC-UHFFFAOYSA-N 269.732 3.772 30 20 CHED S=c1[nH]c2ccccc2nc1NN=C1CCCC1 863130030 ZWWMHRJCUUQFNT-UHFFFAOYSA-N 258.350 3.634 30 20 CHED CCO[C@@H]1CCCC1=NNc1ncc(Cl)cc1Cl 766431574 HWXVJQYMKKPPQZ-LLVKDONJSA-N 288.178 3.745 30 20 CHED CN(C)c1ccc(C=NNCc2ccccc2Cl)cc1 864028800 DKLIHVQKAVXEIW-UHFFFAOYSA-N 287.794 3.530 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(OCC)ccc1O 768552518 VWOJOMPNJFRVCH-UHFFFAOYSA-N 297.398 3.979 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc(F)cc1 768379470 IIKVEJGJPPQPRP-UHFFFAOYSA-N 288.713 3.582 30 20 CHED Cc1cc(Cl)ccc1C=NNc1ccccc1C(=O)O 767362325 VVBQDNYTWHQPTJ-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC(CCC1CC1)=NNc1oc(C(C)C)nc1C#N 768768253 MORYGZZQMPCMNY-UHFFFAOYSA-N 260.341 3.648 30 20 CHED N#Cc1cccc(-c2nnc(-c3cccc4cccnc34)o2)c1 1117229799 JQLGHYUXYTZLML-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 1115957103 YWSRBJMJVOGMEF-UHFFFAOYSA-N 286.306 3.918 30 20 CHED C=C(Br)COC(=O)[C@@H](CCC)C(C)C 763848363 XGZOCWVYZAHPTE-JTQLQIEISA-N 263.175 3.511 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)ccc1C#N 766492448 YDZMJDRXQZSJDH-XVNBXDOJSA-N 289.334 3.793 30 20 CHED C#CCCCNC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 773337116 HJTHAWWKBIFDSL-MRXNPFEDSA-N 298.430 3.600 30 20 CHED C=CCN(C(=S)Nc1cc(OC)ccc1Cl)C1CC1 771541527 ILUWZOSUUSDSSQ-UHFFFAOYSA-N 296.823 3.696 30 20 CHED C=CCC[C@H](C(=O)OCc1cc(C)ncn1)c1ccccc1 777747220 AENVISWDCMNQGV-KRWDZBQOSA-N 296.370 3.578 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H]1C[C@]1(C)C(C)C 774223705 AYDTXJVTRAJRSX-NVXWUHKLSA-N 271.360 3.592 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCC[C@@H]1OC 775247212 ZTGIKVQAVUPZAB-GJZGRUSLSA-N 269.429 3.668 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1nc(C)cc(C)n1 779754932 IYMDSEBVCDBSDB-NSHDSACASA-N 262.401 3.954 30 20 CHED CCCCCCCCCC(=O)NCc1cccc(O)n1 777459070 SHSKYNFDMXFRHS-UHFFFAOYSA-N 278.396 3.544 30 20 CHED CC(C)(C)c1nnc(-c2ccc(C(C)(C)C#N)cc2)o1 1118137735 IMXZZYKHHNTOCN-UHFFFAOYSA-N 269.348 3.835 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CC[C@@H](C)C2)C(C)C)c1 776318684 AEKSFMJSXORDOS-ZBFHGGJFSA-N 269.388 3.846 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H]1Cc1ccccc1 776802821 QJPNSKPFEKLTJM-IBGZPJMESA-N 276.383 3.684 30 20 CHED N#Cc1csc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 771010721 RJLHPDZHUKZBJP-YNEHKIRRSA-N 275.373 3.745 30 20 CHED CCC(CC)CNN=C/C=C/c1ccccc1[N+](=O)[O-] 774479518 YBJZLCTUGLHMST-JIEOQMKXSA-N 275.352 3.620 30 20 CHED CC(C)(C#N)CCOC(=O)c1cccc(Br)c1 776359354 IVYSXCXCGDRQBS-UHFFFAOYSA-N 296.164 3.546 30 20 CHED COC[C@H](/N=C\c1ccccc1O)c1ccc(Cl)cc1 775236046 XCDCUFIMWBLZPJ-PACYTGELSA-N 289.762 3.852 30 20 CHED C#CCCCCCC(=O)NCc1cccc(Cl)c1 779710841 DVUYRXVTICACMV-UHFFFAOYSA-N 263.768 3.540 30 20 CHED CC(=NOC1CCCCC1)c1ccc(-n2ccnc2)cc1 777460584 YYQLJRIYVYVHDU-UHFFFAOYSA-N 283.375 3.946 30 20 CHED CCC[C@@H](C)CC(=O)OCc1cccc(C#N)c1F 774938261 DPKGZCPLKJJPQU-LLVKDONJSA-N 263.312 3.567 30 20 CHED C=CC(C)(C)CC(=O)OCc1ncccc1C(F)(F)F 884648997 OVUJWQKFOIVANI-UHFFFAOYSA-N 287.281 3.746 30 20 CHED CC[C@H]1CCCCCN1C(=O)c1cc(C#N)ccc1C 1126362449 URCOXBNNSHRYCQ-HNNXBMFYSA-N 270.376 3.662 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2sccc2Cl)c1 782265992 FJTXKYHIMTXBMW-UHFFFAOYSA-N 297.170 3.768 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(N(C)C)c(Cl)c1 785535809 URBJSMMWTHYAHK-OAHLLOKOSA-N 280.799 3.947 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cc3ccccc3[nH]2)cc1 788407981 JFZOLIGDAVTOKX-UHFFFAOYSA-N 280.287 3.522 30 20 CHED COc1cc(F)cc(NN=Cc2cc(C)nc(Cl)c2)c1 788718131 JUUWFZXMTRENBS-UHFFFAOYSA-N 293.729 3.637 30 20 CHED C#CCC1(C(=O)N[C@@H]2CSc3ccccc32)CCCCC1 788223380 CTNIBIOXHHZUJP-OAHLLOKOSA-N 299.439 3.923 30 20 CHED C=CCCN(CCCn1ccnc1C)OCc1ccccc1 782664159 HGGDRLJOTAPFDL-UHFFFAOYSA-N 299.418 3.592 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)CCc2cc(O)ccc21 782330019 WCIKJCUYQITRMX-WQLSENKSSA-N 297.379 3.939 30 20 CHED CCCCCCCCNC(=O)C[C@](C)(O)c1ccccc1 780995132 JJRRSVGVODZKGL-SFHVURJKSA-N 291.435 3.761 30 20 CHED COc1cc(C)ccc1C(=O)OCc1ccc(C#N)c(C)c1 784846571 YCMFSWDLYOHNOW-UHFFFAOYSA-N 295.338 3.541 30 20 CHED COc1ncc(C(=O)/C=C/c2ccccc2C)cc1Cl 789156520 BHBXYJQLBZVMLD-BQYQJAHWSA-N 287.746 3.948 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCC(C)(C)C1 783834907 CSBMSRBFRMKGQF-UHFFFAOYSA-N 261.325 3.881 30 20 CHED CSC1(c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)CC1 896781516 OHPWNHJHAGBAKB-UHFFFAOYSA-N 299.399 3.890 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cc2c(F)cccc2s1 787850479 WKMMGQQXEBJENR-OAHLLOKOSA-N 290.363 3.708 30 20 CHED C[C@H](OC(=O)c1cc2occc2[nH]1)c1cccc(C#N)c1 786032839 WVAVLFJCHKZDHD-JTQLQIEISA-N 280.283 3.551 30 20 CHED CCC[C@H]1CCCC1=NNc1ccc(C(=O)O)cc1 788406789 CZFRBXDAYHFTJT-NSHDSACASA-N 260.337 3.753 30 20 CHED C#C[C@H](NCc1nc(C)c(C)s1)c1ccc(Cl)cc1 894553084 NEJKGJDQHADGKC-AWEZNQCLSA-N 290.819 3.877 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc3cc(F)ccc3o2)c1 1132219947 XTXFGRPIFCMPJM-UHFFFAOYSA-N 298.248 3.835 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)c1cccc(Cl)c1F)C(C)C 799042411 ZVYXJONHCMKXMF-CYBMUJFWSA-N 295.785 3.531 30 20 CHED C#C[C@@H](CCC)NC(=O)NCc1ccc(-c2ccccc2)o1 791017630 ILLVHOLDBQATQC-HNNXBMFYSA-N 296.370 3.548 30 20 CHED COc1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1F 799891982 KUTUEDNOYVMFJJ-AATRIKPKSA-N 291.709 3.779 30 20 CHED C=CC(C)(C)Cc1nc(C2(COC)CCCCC2)no1 896312465 CGSSDEVMPBCPQF-UHFFFAOYSA-N 278.396 3.673 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C 799528885 KWJOEXXEBJDMIE-JKSUJKDBSA-N 298.471 3.946 30 20 CHED CC[C@@H](C)c1ccc(C(=O)NCC2(CC#N)CC2)cc1 797566063 VIEKEEYZAMAIDP-CYBMUJFWSA-N 270.376 3.624 30 20 CHED Cc1cc(NN=CC2CCC(C(C)C)CC2)ncn1 794912654 JDWWXFQYHZKCCO-UHFFFAOYSA-N 260.385 3.645 30 20 CHED CC(C)(C)c1cnc(/C=C\C(=O)c2cccnc2)s1 790598532 ODXFTBFGIVQDJL-SREVYHEPSA-N 272.373 3.732 30 20 CHED CC[C@H](C#N)OC(=O)c1sc2ccc(C#N)cc2c1C 796626373 RQEUWMYKGBKRGF-LLVKDONJSA-N 284.340 3.540 30 20 CHED COc1ccc(Cl)cc1C(C)=NNc1ncccc1F 794993204 JIQWPFDFDSJLOH-UHFFFAOYSA-N 293.729 3.719 30 20 CHED FC(F)(F)CCNN=C1CCC[C@@H](C(F)(F)F)C1 794553162 YPETTYDFYPBUTD-SSDOTTSWSA-N 276.224 3.637 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C)c(C#N)c1 799344008 QGUINRYYXLFYEK-RHSMWYFYSA-N 284.403 3.908 30 20 CHED C#C[C@@H](/N=C/c1c(O)ccc2ccccc12)C(C)C 798343973 VRNGMGNFKIPOOF-YCPFAOKUSA-N 251.329 3.622 30 20 CHED C#CCC(C)(C)C(=O)OCCSCc1ccccc1 790664421 QCCZIXYLDQRYOV-UHFFFAOYSA-N 276.401 3.513 30 20 CHED CC(C)c1c(Cl)ncnc1NN=Cc1cccc(C#N)c1 797404005 FGVQXDPNEPFYNG-UHFFFAOYSA-N 299.765 3.571 30 20 CHED C=CCN(C(=O)[C@@H](C)Cn1ccc2ccccc21)C(C)C 796137126 FEFXPHJTANSNIG-HNNXBMFYSA-N 284.403 3.700 30 20 CHED C[C@H](NN=C1CCCNc2ccccc21)C(C)(C)C 793113241 BRBKKLSILJUYTH-LBPRGKRZSA-N 259.397 3.621 30 20 CHED CC(C)c1ccccc1C(=O)Nc1ccc(C#N)cc1 1355066841 QQEWBALGQRHKBD-UHFFFAOYSA-N 264.328 3.934 30 20 CHED N#Cc1nc(N2CCC=C(c3ccco3)C2)sc1Cl 1163272447 FTCIGCUYCXOCRH-UHFFFAOYSA-N 291.763 3.555 30 20 CHED N#Cc1cnc(N[C@@H]2CCC[C@@H]2Cc2ccccc2)c(F)c1 1162585037 XMMFCUMSIFWNML-NVXWUHKLSA-N 295.361 3.916 30 20 CHED C=C(CC)CSCc1nnc(-c2ccccc2OC)o1 1324859942 OYNMAMJYTSFCOP-UHFFFAOYSA-N 290.388 3.945 30 20 CHED CN(CCCCC#N)Cc1cccc2ccccc12 171032884 UAVKYDAGOPUVMM-UHFFFAOYSA-N 252.361 3.965 30 20 CHED Cc1ccc(NN=Cc2ccc(F)nc2)cc1Cl 1320578186 GHTMXEGCPCSBOO-UHFFFAOYSA-N 263.703 3.629 30 20 CHED Cc1ccc2c(c1)N(C(=O)CC#Cc1ccccc1)CCC2 1322557669 PFXUMXBGMXSAPJ-UHFFFAOYSA-N 289.378 3.716 30 20 CHED CC(C)(CNc1cccc(CC#N)n1)c1ccc(F)cc1 1324085135 KWGLKEWBCSKNLA-UHFFFAOYSA-N 283.350 3.676 30 20 CHED N#Cc1ccc(OCc2ccnc(Cl)c2)cc1Cl 190257980 YHIYAWGYHKDVPL-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 593393786 HJKJKBXIEJNREM-JOYOIKCWSA-N 294.807 3.543 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 1320306110 MHEZBRWQLJTJNE-IUCAKERBSA-N 292.181 3.984 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(-c2ccccc2)o1 1320592605 RWHBOGUZGZSLLQ-HIFRSBDPSA-N 271.360 3.798 30 20 CHED N#CCC[C@H](C#N)CN[C@@H](C1CCCCC1)C1CCC1 1336799719 LZDPMRGGDIOJGL-PBHICJAKSA-N 273.424 3.769 30 20 CHED N#CC1(C(=O)N(Cc2ccccc2)C2CC2)CCCCC1 76386869 IHNFNJJNDZPCLP-UHFFFAOYSA-N 282.387 3.652 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1csc(Cl)n1 695740125 WCIGPLFNYNOYQI-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C=C(C)CCC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 1336387912 CSJXUGSKGNGNAN-UHFFFAOYSA-N 285.347 3.594 30 20 CHED C=CC(C)(C)c1nnc(-c2ccc(Cl)cc2OC)o1 1330092197 HOYUHNDYLLDROA-UHFFFAOYSA-N 278.739 3.862 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc2ccccc2nn1 1263645242 JIKCAXQVIVNUOH-CQSZACIVSA-N 296.374 3.592 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)C(C)(C)C1CCC1 1345044798 GKDKTDDXAGIMPG-CQSZACIVSA-N 285.387 3.581 30 20 CHED CCCCCCCCNC(=O)N1CC[C@H]2OCCC[C@@H]2C1 1191051331 IFTCYRPFOKURPY-HZPDHXFCSA-N 296.455 3.557 30 20 CHED CCSc1cccnc1C(=O)Nc1cc(C#N)ccc1C 1265678515 OZSWNZWMQHPIPI-UHFFFAOYSA-N 297.383 3.626 30 20 CHED CCC[C@H](CC(C)C)C(=O)O[C@@H]1CC[C@@H](C#N)C1 1357677012 PQCZZASXIQHUAC-MGPQQGTHSA-N 251.370 3.684 30 20 CHED Cc1ccc2nc(C3CC3)cc(C(=O)O[C@@H](C)CC#N)c2c1 1523852756 QCENDZYCHCXKJU-LBPRGKRZSA-N 294.354 3.880 30 20 CHED N#Cc1cccc(C#N)c1NC[C@H]1CCC[C@H]1C1CC1 1458433261 SVICSKWIABCXGR-CVEARBPZSA-N 265.360 3.668 30 20 CHED CCC1(NC(=O)Nc2cc(C#N)ccc2F)CCCCC1 1466788810 OVVJWYQBYZUGAF-UHFFFAOYSA-N 289.354 3.932 30 20 CHED Cc1ccc(CCOC(=O)[C@H](CC#N)c2ccccc2)cc1 1538773038 WTPISAXGVJMRPL-GOSISDBHSA-N 293.366 3.778 30 20 CHED C[C@@H](OC(=O)c1cccc2c1CCC2)c1ccc(C#N)cc1 1533619335 NQPQOCLBZNEMFH-CYBMUJFWSA-N 291.350 3.965 30 20 CHED Cc1cc(C)c(C(=O)OCc2cc(C#N)ccc2F)s1 1542583678 XGSBSCLLJYFREA-UHFFFAOYSA-N 289.331 3.733 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C)cc(C#N)c1)c1ccncc1 1562939221 ATPMRTMRMMFXQD-MRXNPFEDSA-N 294.358 3.535 30 20 CHED CC[C@H](C)Oc1cc(NCC(C)(C)CCC#N)nc(C)n1 1642754045 OQAROLPIYSRZIN-LBPRGKRZSA-N 290.411 3.704 30 20 CHED N#Cc1cccc(Sc2ccc3c(c2)CCCC3)n1 1651957321 LGJFNKUSHKUMOP-UHFFFAOYSA-N 266.369 3.983 30 20 CHED CSc1ccccc1CN(C)CCc1ccc(C#N)cc1 1654336880 MZCBLEQVSILDPW-UHFFFAOYSA-N 296.439 3.955 30 20 CHED C=CC[C@H](Sc1nc2cc(C)ccc2s1)C(=O)O 1588758532 HGPQXKMLWLDIMH-NSHDSACASA-N 279.386 3.726 30 20 CHED CC1(CNc2c(C#N)cnc3c(Cl)cccc23)CC1 1651592723 IKGRKUVHQJLQAT-UHFFFAOYSA-N 271.751 3.972 30 20 CHED C=CCC(CC=C)C(=O)Nc1sc(CC)cc1C(=O)O 1588738009 ZUHQCQXEIXFPEA-UHFFFAOYSA-N 293.388 3.716 30 20 CHED CCC(CC)CC(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1583609017 OZMZTTGEUXNYHS-UHFFFAOYSA-N 284.363 3.508 30 20 CHED N#Cc1cccc(CSc2ccc3c(c2)CCO3)c1F 1652884607 LEUPIONLVFWLHI-UHFFFAOYSA-N 285.343 3.925 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1nc2ccccc2o1 1651168680 MJOZFPANQZVFDV-GFCCVEGCSA-N 277.327 3.897 30 20 CHED C=C(C)CCCN1CC[C@@H]2C[C@@H](CC(=O)O)CC[C@@H]2C1 1776138796 SBZLQNAACROLJJ-ARFHVFGLSA-N 279.424 3.556 30 20 CHED C=CCCCCN(C)Cc1c(Cl)cccc1C(=O)O 1776174950 MGZFVWGHVVSDFR-UHFFFAOYSA-N 281.783 3.826 30 20 CHED C#CCCCOc1ccc(C)cc1Br 161063200 RQWRKYMNPDPMQH-UHFFFAOYSA-N 253.139 3.550 30 20 CHED Cc1cc(C)cc(CNc2ncccc2OCCCC#N)c1 162266580 FHLXKOUKJRGUQI-UHFFFAOYSA-N 295.386 3.993 30 20 CHED COc1cccc(OCCSCCCCC#N)c1 155723022 PHJYZHCWHVSBPY-UHFFFAOYSA-N 265.378 3.501 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H]1CCc2c(Cl)cccc21 155311967 RQJLSIDHTAYIQQ-XHDPSFHLSA-N 262.784 3.809 30 20 CHED CCOc1ccc(NC(=O)N[C@H](CC)CC#N)cc1Cl 155783792 CHYUDSOOXKXHPB-SNVBAGLBSA-N 295.770 3.552 30 20 CHED C=CCOc1cccc(CNc2cc(OC)ccc2OC)c1 157801814 KHAIIMQXCSYCEW-UHFFFAOYSA-N 299.370 3.881 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1 7336019 YVUUXGQVOSXQQC-WEVVVXLNSA-N 286.302 3.739 30 20 CHED COc1ccccc1C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(C)C 274646658 SCOXWTUUXPIUDV-OIISXLGYSA-N 286.419 3.544 30 20 CHED COc1ccc(SCc2cccc(C#N)c2F)cc1 219764189 KWPPIUPVIILKOQ-UHFFFAOYSA-N 273.332 3.998 30 20 CHED Cc1cccc(C)c1NCc1cccc(C#N)c1F 223729005 IGTLEIAELFLKHM-UHFFFAOYSA-N 254.308 3.926 30 20 CHED N#Cc1ccc(NC(=O)c2cc(F)ccc2F)c(Cl)c1 225782329 STSAIQVCNPVTQQ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1cc(NC(=O)c2ccsc2)ccc1Cl 122104585 XFJMPSVLPKRPKM-UHFFFAOYSA-N 262.721 3.525 30 20 CHED Cc1cc(C#N)nc(Oc2cc(C(C)C)ccc2C)n1 231908630 KEADRIBAAUYSKG-UHFFFAOYSA-N 267.332 3.881 30 20 CHED C[C@H](N[C@H](C)c1cncc(F)c1)c1ccc(C#N)cc1 154340621 HOMJNINMLWUJEH-NWDGAFQWSA-N 269.323 3.504 30 20 CHED C[C@H](NCc1c(F)cccc1F)c1ccc(C#N)cc1 35256341 YXTTXXUMIDUMFG-NSHDSACASA-N 272.298 3.687 30 20 CHED Cc1cc(CNc2cccc(F)c2C#N)cc(C)c1O 36138969 GDTOCEKFRIXLOU-UHFFFAOYSA-N 270.307 3.632 30 20 CHED C=CCN(C(=O)c1cc2ccccc2c(Cl)n1)C1CC1 162213408 YHBFOKRQNJNZFP-UHFFFAOYSA-N 286.762 3.679 30 20 CHED Cc1cc(C)c(C#N)c(N(C)Cc2ccc(Cl)s2)n1 42293758 XNKBCVOCGDOTAU-UHFFFAOYSA-N 291.807 3.921 30 20 CHED Cc1c(C(=O)N(C)C[C@H](C)C#N)sc2cccc(F)c12 49425029 CWAVWVCRQIFNRS-SECBINFHSA-N 290.363 3.581 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccccc1Cl 49524656 NQPMWPZJLBWCCU-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C[C@@H]1CN(c2ncc(C#N)cc2Cl)c2ccccc21 513619420 MJHTWTNDFAPZHZ-SNVBAGLBSA-N 269.735 3.862 30 20 CHED C[C@@H](CC(=O)N1CCc2c(C#N)cccc21)C(C)(C)C 421648840 BGJWWLCZAFQYPD-LBPRGKRZSA-N 270.376 3.520 30 20 CHED N#Cc1ccnc(NCCCOC2CCCCC2)c1Cl 429216760 QMWVJLPKQVACHK-UHFFFAOYSA-N 293.798 3.758 30 20 CHED Cc1nc(NC[C@@H](C)C(F)(F)F)c(Cl)cc1C#N 360067414 WTQPZKGCOQGVPZ-ZCFIWIBFSA-N 277.677 3.525 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCC23CCCC3)c1 392847585 GXEAXDDSNSTMPL-MRXNPFEDSA-N 254.377 3.761 30 20 CHED CC(C)CSCCNC1CC(C#N)(c2ccccc2)C1 397268134 MOXCLVPCOCRTMU-UHFFFAOYSA-N 288.460 3.589 30 20 CHED CC(=NOCc1ccccc1)c1cc(F)cc(F)c1 755892379 GOUQDZGSWZVPGM-UHFFFAOYSA-N 261.271 3.906 30 20 CHED Cc1ccsc1/C=C1\COc2ccccc2C1=O 7747100 WTAMEQYKBOBVDJ-DHZHZOJOSA-N 256.326 3.715 30 20 CHED C=CCCOC(=O)C[C@H](c1ccccc1)C(F)(F)F 103646115 HYJOBWICKMNKDW-GFCCVEGCSA-N 272.266 3.842 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OCC2CC2)cc1 55992957 SJOCBHBHFCMXNX-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C=C(C)CN(CC)C(=O)NCc1nc(C(C)(C)C)cs1 105296013 CBJQMPPVYXWPSG-UHFFFAOYSA-N 295.452 3.548 30 20 CHED CC[C@H](NC[C@H](O)c1ccc(C#N)cc1)C1CCCCC1 52338554 PDMKRYQRKSSHDP-ROUUACIJSA-N 286.419 3.540 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1CCc1ccccc1 102334939 FHABGQRNVMJXGF-MRXNPFEDSA-N 257.377 3.576 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccc(OC)cc1)C(C)C 116971816 TUWCMEUKEWKKGE-CJNGLKHVSA-N 290.407 3.656 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F 106763061 WOZPBNJYDYQEIG-HNNXBMFYSA-N 296.345 3.833 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)[C@H](c1ccccc1)C(C)C 112588887 RZPUBZXKQGEDSS-WBVHZDCISA-N 289.419 3.823 30 20 CHED Cc1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)cc1 176428147 VHOYAOCOPAZVKL-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CC[C@@H]1CCCN1Cc1ccc(Br)cc1C#N 310267195 HMFYUOWIBTXDGM-CQSZACIVSA-N 293.208 3.695 30 20 CHED C=CCCCC(=O)NC[C@H](c1ccccc1)N(CC)CC 175099622 UNPBCEQSFKCPMF-QGZVFWFLSA-N 288.435 3.542 30 20 CHED Cc1sc(NC(=O)c2cccc(Cl)n2)c(C#N)c1C 51073199 PXVQFNQOWLJVIZ-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C=C(C)CN(CC)C(=O)CCC(=O)c1cc(C)ccc1C 57158052 KIYPOMVIQTVXEN-UHFFFAOYSA-N 287.403 3.691 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 67799920 AWMVTZKHNSLVLG-KBPBESRZSA-N 272.392 3.808 30 20 CHED C=C(Cl)CSc1nnc2sc3ccccc3n12 21277207 BMQBTRQOSXZJHU-UHFFFAOYSA-N 281.793 3.789 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2C)c1 179824542 DKKQRGWQOLIEHY-ZIAGYGMSSA-N 288.391 3.904 30 20 CHED CC(C)C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 177924803 KVZBUTRBHVXRPM-GFCCVEGCSA-N 289.354 3.597 30 20 CHED CCC(C)(C)CC(=O)N(CCC#N)C(C)(C)CC 348524143 CSVTXRHANGSYGG-UHFFFAOYSA-N 252.402 3.744 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccccc1Sc1ccccc1 173329130 BFOPQACUZDPUOV-ZDUSSCGKSA-N 296.395 3.870 30 20 CHED Cc1cc(Nc2snc(Cl)c2C#N)ccc1N(C)C 301925240 ILQJNRIXSSOFPA-UHFFFAOYSA-N 292.795 3.786 30 20 CHED Cc1ccc(C)c(Oc2cc(C#N)ccc2[N+](=O)[O-])c1 302219023 QZKZWDOZNVIHDF-UHFFFAOYSA-N 268.272 3.876 30 20 CHED Cc1nc2cc(Nc3ccc(Cl)c(C#N)n3)ccc2n1C 301566879 JXKPFJFKXIGEQQ-UHFFFAOYSA-N 297.749 3.545 30 20 CHED Cc1cc(/C=C\C(=O)c2cccs2)cc(C)c1O 38146867 UIRSZQKUUOVMOR-WAYWQWQTSA-N 258.342 3.967 30 20 CHED Cc1ccc(CNc2cccc(C#N)n2)c(OCC2CC2)c1 301556385 IPRLCQHONFPOKU-UHFFFAOYSA-N 293.370 3.663 30 20 CHED C#CCCCN[C@H](C)[C@H](C)c1nc2ccccc2s1 178057505 MIGMLHWKHZGVEY-QWHCGFSZSA-N 272.417 3.791 30 20 CHED CCCCCOc1cc(CNC[C@@H](C)C#N)ccc1OC 183819985 MFOXIQMVESAOQR-AWEZNQCLSA-N 290.407 3.513 30 20 CHED CC[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 128801478 OUESDPYMUJJFEL-SWLSCSKDSA-N 294.354 3.533 30 20 CHED N#Cc1ccccc1SCc1cc(F)ccc1[N+](=O)[O-] 173710952 ZFKYADFTRYKPIG-UHFFFAOYSA-N 288.303 3.898 30 20 CHED CCCOc1ccc(NCc2ccc(OC)c(C#N)c2)cc1 124998579 BLQJOTDMLRHUTE-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CCN(CCC#N)Cc1c(Cl)cccc1OC(F)F 127629247 NAJAARSYLYDUAK-UHFFFAOYSA-N 288.725 3.677 30 20 CHED CC(C)(C)CCC(=O)Nc1ccnn1-c1ccc(C#N)cc1 120592755 IOSFDOXEJDTKGE-UHFFFAOYSA-N 296.374 3.509 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(CC)nc1C 185582825 ZKRPHABAICMQIS-UHFFFAOYSA-N 294.398 3.781 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2NCC2(C#N)CCC2)cc1 418137961 FPFFYTUZYWODAQ-SJORKVTESA-N 268.404 3.915 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 183823065 NRVNAJGUFFOFCM-AWEZNQCLSA-N 295.382 3.862 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)CCCc1ccccc1 180438923 LFMKHCBPKQQMMR-HNNXBMFYSA-N 259.393 3.680 30 20 CHED C#CCCCCC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 120253331 DGWQOQJMTWJVSP-SCLBCKFNSA-N 287.378 3.759 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)CC(F)F)CCCC1(C)C 412294260 QXKOBLWCFJONDG-NEPJUHHUSA-N 273.367 3.871 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](C)[C@@H]1CC)c1ccccc1 185373684 GOXVMFWXJPUSAT-UXLLHSPISA-N 271.404 3.993 30 20 CHED N#Cc1ccc(CN2CCCc3cc(Cl)ccc32)o1 503579103 ZUCQSKSFGWQJBH-UHFFFAOYSA-N 272.735 3.757 30 20 CHED Cc1cc(CNCCc2ccccc2C)ccc1C#N 443970028 HXAFIGDQZMTEPP-UHFFFAOYSA-N 264.372 3.507 30 20 CHED Cc1csc([C@@H](C#N)C(=O)Cc2cccc(Cl)c2)n1 70031164 KMXCFFDMGZCGMV-LBPRGKRZSA-N 290.775 3.524 30 20 CHED CC1(c2ccccc2)CCN(c2ncc(C#N)cc2F)CC1 413206959 QJHNOWGDNMLIDT-UHFFFAOYSA-N 295.361 3.650 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 410836488 RVBIGKOZYKRYAU-KGLIPLIRSA-N 297.402 3.812 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCc1ccc(F)cc1 187516289 GNTJXTCVSAAHKW-UHFFFAOYSA-N 290.382 3.689 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2CCCc3sccc32)c1 123819989 SJUXMTLELCAFFV-INIZCTEOSA-N 295.407 3.812 30 20 CHED C[C@H](NCCCNc1cccc(F)c1)c1cccc(C#N)c1 184463165 DSQDTRFLTDRLAK-AWEZNQCLSA-N 297.377 3.850 30 20 CHED C=CCC[C@H](C)N[C@@H](c1noc(C)n1)c1ccccc1F 186315372 YYWUITXJJJROMV-XHDPSFHLSA-N 289.354 3.551 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)cc1OCC 187840102 ZBAUPTQKUBYDGR-MRXNPFEDSA-N 261.365 3.935 30 20 CHED C=CCC[C@@H](C)NCc1nccn1CCCc1ccccc1 185662290 AQQZWAYQMYBRNC-QGZVFWFLSA-N 297.446 3.960 30 20 CHED N#CC1(CN2CCC[C@@H]2CCCc2ccccc2)CC1 501530128 GGXBBELHHJWPNU-KRWDZBQOSA-N 268.404 3.777 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)[C@H]2CCCC[C@H]12 180762557 LUXVKGULQYXMPH-DFBGVHRSSA-N 260.406 3.630 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1cccc(Cl)c1 189878738 PHVUSEANNMIHQO-HNNXBMFYSA-N 265.784 3.601 30 20 CHED C[C@]1(NC(=O)c2ccc(C#N)cc2)CCCc2ccccc21 506125553 DZFVUNHJDQHDBC-IBGZPJMESA-N 290.366 3.540 30 20 CHED Cc1oc2ccc(NC(=O)c3ccc(C#N)cn3)cc2c1C 186787955 PDDFUGOCFIGXQA-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1C)c1c(C)noc1C 186328785 JYODMQMOKUDFDW-MRXNPFEDSA-N 283.375 3.712 30 20 CHED Cc1ccnn1-c1ccccc1N[C@H]1CCC[C@H](C#N)C1 185897747 AQYYWBYZQWLHCU-GJZGRUSLSA-N 280.375 3.675 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(C#N)c(Cl)c1 185806190 GPZNPLZRQZUGNR-IINYFYTJSA-N 291.782 3.864 30 20 CHED C=C(Br)CNC(=O)c1csc2ccccc12 133255649 ZTGZTNSELUHTSI-UHFFFAOYSA-N 296.189 3.540 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)c1nc2c(s1)CCC2 413397379 QHTVODQUKONHDD-SECBINFHSA-N 287.363 3.816 30 20 CHED Cc1cc(OCc2ccc(F)cn2)c(C)c(C)c1C#N 506416498 NXUXRVWIPPFXHH-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(OC2CCCC2)cc1 46196888 ZUZFNCNWNRRRPP-UHFFFAOYSA-N 285.387 3.822 30 20 CHED N#CCc1ccc(N[C@H]2CCc3ccc(F)cc32)cc1 174983141 CHWQVKFRCVOTER-KRWDZBQOSA-N 266.319 3.991 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1csc(CC)n1 47740704 XCAPAYCMJLGCCK-UHFFFAOYSA-N 299.443 3.989 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(C)c(C)o1 135733591 OBERSWRAUSXMNJ-UHFFFAOYSA-N 283.371 3.767 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1F 131202691 CXMQKBGGUAEECP-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C=CCCCCCn1nc(C)c([C@@H](C)C(=O)OC)c1C 195393086 SSVLYIOPSGDZRL-GFCCVEGCSA-N 278.396 3.523 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 134891755 LBUKABHQHXXURL-QGZVFWFLSA-N 286.375 3.576 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cnc3ccccc3c2)CC(O)=N1 329362953 ZFMBGCWPEHCFIR-ZYHUDNBSSA-N 283.331 3.578 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(Br)c2)C1 379814630 QUPMORKZMUFVRJ-BXKDBHETSA-N 265.154 3.553 30 20 CHED COc1ccc([C@H](NCc2ccccc2C#N)C2CC2)cc1 192507749 JUCMHHJPZWTWPC-LJQANCHMSA-N 292.382 3.808 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)CCSC)c1ccccc1 135236567 KTWTUBFMUVVTEV-UONOGXRCSA-N 277.433 3.604 30 20 CHED CC[C@H](C#N)OC(=O)c1sc(-c2cccs2)nc1C 84709600 AEDVHCDAUWSGKJ-SECBINFHSA-N 292.385 3.639 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2c(F)cccc2F)c1C 131155577 QTJFVIGZGLUMGH-CMDGGOBGSA-N 290.313 3.694 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)NCC#Cc1ccccc1 510902897 ZIWUXBYGTLWZON-MRXNPFEDSA-N 298.430 3.648 30 20 CHED C[C@@H]1OCC[C@]1(C)NC(O)=Nc1cccc2ccsc12 329581564 VEBFXPBZNXQPKZ-BONVTDFDSA-N 290.388 3.604 30 20 CHED CCc1nc(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)sc1C 328875725 FZQPIPFAHQUBEI-SCZZXKLOSA-N 280.393 3.607 30 20 CHED C=CCN(CC=C)C(=O)NCC[C@H]1CCCC[C@H]1C 512846901 RRYOGEMRUSDCSE-HUUCEWRRSA-N 264.413 3.586 30 20 CHED Cc1cc(N=C(O)C2CCSCC2)cc2n[nH]cc12 329050850 KVDNEEICWIUMGU-UHFFFAOYSA-N 275.377 3.603 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)sc1C 615926572 OCMLEVVVRRJMDS-UHFFFAOYSA-N 278.421 3.909 30 20 CHED Cc1ccc(CCNc2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 519947615 GAORJJZUFKBBSJ-UHFFFAOYSA-N 295.342 3.738 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](CC)Cc1ccccc1 513390953 UWSGXQGVMRQPHQ-HOTGVXAUSA-N 274.408 3.662 30 20 CHED C=CCCCC(=O)N(CCC)c1cccc([N+](=O)[O-])c1 194129169 ZKYJIUFMFKWWOW-UHFFFAOYSA-N 276.336 3.694 30 20 CHED C=CCCCCCCNc1c(C(=O)O)nnc2ccccc12 320767839 CCHUDIKTPKHSGJ-UHFFFAOYSA-N 299.374 3.876 30 20 CHED C=CCCCCCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 195439868 PTVDRGSZWIGFSH-UHFFFAOYSA-N 286.335 3.600 30 20 CHED CCOc1c(Cl)cccc1CN[C@H](CC)CC#N 426143032 LAZGQLNVGMVRNJ-GFCCVEGCSA-N 266.772 3.521 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCO2 192986307 GUKVZWQAJKRFBH-OLZOCXBDSA-N 294.354 3.699 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2ccccc2OCC#N)cc1 193674319 AMNZPFPIMFSYQK-AWEZNQCLSA-N 295.338 3.815 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2ccccc2n1 424315563 AEFZJDDQQOKNKN-VNHYZAJKSA-N 265.360 3.578 30 20 CHED Cc1cscc1NC(O)=Nc1cnn([C@H](C)C2CC2)c1 330265837 ZUMRVJYPCDRZTE-SNVBAGLBSA-N 290.392 3.882 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H](CC(F)(F)F)C1 420833935 MSGBZMSJTNPNKL-GFCCVEGCSA-N 292.345 3.717 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OCC)c(OC)c1 426551100 FAKOZXWOBFNPGL-OAHLLOKOSA-N 275.392 3.634 30 20 CHED CC(C)c1ccc(/C(O)=N/[C@H](C#N)C(C)(C)C)c(O)c1 331234900 KUVUSYQXOQOWAW-CQSZACIVSA-N 274.364 3.758 30 20 CHED CC(C)C[C@@H](C)CC(=O)N(C)c1ccccc1C#N 337883407 UBPRQMAJXMAPCE-CYBMUJFWSA-N 258.365 3.593 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 335305312 FHKJAXCQVFBBOL-INIZCTEOSA-N 295.386 3.663 30 20 CHED C=CCOc1ccccc1C(=O)NCC1(C)CCCC1 519463363 NIGLIXRSSDGFID-UHFFFAOYSA-N 273.376 3.562 30 20 CHED C[C@H](C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 336433017 MMGVCISOUCUPIE-MRVPVSSYSA-N 291.763 3.562 30 20 CHED C=C(C)COCCN[C@H](c1ccc(C)cc1)C1CC1 91397666 JNWDGMZLUPAQSS-QGZVFWFLSA-N 259.393 3.628 30 20 CHED CCc1ccc(NC(=O)NCc2ccc(C#N)s2)cc1C 421086466 OVIMOOBJQWIGJN-UHFFFAOYSA-N 299.399 3.812 30 20 CHED N#CCCC1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 335385234 ULRGDKBOPYCUDP-GOSISDBHSA-N 296.414 3.649 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(C#N)cc1Cl 233990178 GXHICLQRQUIRGD-SECBINFHSA-N 250.729 3.586 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCc2ccccc21 332720924 RUIFYBSMRBUYFR-WMZOPIPTSA-N 284.403 3.551 30 20 CHED C=CC[C@@H](C)N[C@@H](C)Cc1ccc(Br)cc1 235424715 IMJHVYFEDGTPIH-NEPJUHHUSA-N 282.225 3.934 30 20 CHED CSc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1C 336421872 OAKMUHOZQXNQJN-UHFFFAOYSA-N 298.367 3.547 30 20 CHED C[C@H]1CC[C@H](/N=C(/O)N[C@@H]2CCOC3(CCCC3)C2)CC1 330236809 UNFDGVVZWSAMAD-RBSFLKMASA-N 294.439 3.561 30 20 CHED COCc1nc(C)c(/C(O)=N/[C@@H]2CC[C@H](C)[C@@H](C)C2)s1 330870145 TWVVPGXRZNTRNO-JBLDHEPKSA-N 296.436 3.727 30 20 CHED C=C(CNC(=O)N1CCCC[C@@H]1C(C)C)c1ccccc1 512681322 NDCBCCANACQIIL-QGZVFWFLSA-N 286.419 3.920 30 20 CHED N#Cc1ccccc1NCc1ccc2c(c1)OCCCCO2 515044781 GKFVJKAROMGGNP-UHFFFAOYSA-N 294.354 3.722 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC/C=C/c1ccc(F)cc1F 435748984 QPNOFYVTAHEPLK-JNPAJOFYSA-N 293.357 3.549 30 20 CHED CC(C)(CCC#N)CNCc1cccc(Cl)c1F 344634356 STQODPJFRVUQIE-UHFFFAOYSA-N 268.763 3.899 30 20 CHED CC(C)(C)CN1CCC[C@H](SCCC(C)(C)C#N)C1=O 342009421 AYQGSEULFMENBU-ZDUSSCGKSA-N 296.480 3.697 30 20 CHED C#C[C@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 246653226 WYXZUQOIUGSVTB-AFAVFJNCSA-N 264.324 3.508 30 20 CHED Cc1oc2ccccc2c1CC(=O)NCC(C)(C)CCC#N 345891347 SCOZUHMVINXGKJ-UHFFFAOYSA-N 298.386 3.730 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1c(C)nsc1C 431764364 ZRBLERBJURSFQL-UHFFFAOYSA-N 292.429 3.650 30 20 CHED C=CC1CCN(C(=O)c2ccc(SCC)cc2)CC1 349322484 BHVWBOWCLBLTDH-UHFFFAOYSA-N 275.417 3.837 30 20 CHED C=CCSc1ccccc1C(=O)NCCSC(C)C 345563208 YBPKIKVBJZCBAR-UHFFFAOYSA-N 295.473 3.836 30 20 CHED C=CCC[C@@H](C)Nc1cccc(NC(=O)NCC)c1C 433069694 SVANSPPXRXFEGB-GFCCVEGCSA-N 275.396 3.903 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)o1 255691361 FQSVWOBPQBXNCB-VURMDHGXSA-N 271.272 3.646 30 20 CHED CCC(C#N)(CC)c1nc(C(C)(C)c2ccccc2)no1 528169399 SQMMVGJZNWTVSW-UHFFFAOYSA-N 283.375 3.977 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1CCC 604898344 RJMHJGOVVGVHED-BFHYXJOUSA-N 252.402 3.609 30 20 CHED Cc1ccc(C#N)c(NCc2c(C)c3ccccc3n2C)n1 343078257 DLQNZXFYXYRGPN-UHFFFAOYSA-N 290.370 3.674 30 20 CHED N#C[C@@H](NC(=O)CC1CCC1)c1cccc(C(F)(F)F)c1 349485625 SUZNWRNPVUFDDO-CYBMUJFWSA-N 296.292 3.576 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)c(OCC)c1 342473613 NQZJXUIICGYVCW-KRWDZBQOSA-N 291.391 3.561 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1ccc(F)c(Cl)c1 528973876 VGROXLJKQKKSLA-UHFFFAOYSA-N 282.746 3.772 30 20 CHED CC(=NOCC1CCC1)c1nc2ccccc2n1C(F)F 255619097 RJJRYZATYFIGGD-UHFFFAOYSA-N 293.317 3.972 30 20 CHED C[C@@H](CCC#N)CNCCc1csc2ccccc12 602526828 GSRPJYVLNWGSOB-ZDUSSCGKSA-N 272.417 3.973 30 20 CHED C=CC[C@@H](C)NC(=O)NCC1(c2ccccc2)CCCC1 604900949 KYKNTTFPOVOWTN-OAHLLOKOSA-N 286.419 3.762 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3ccc(F)cc3)n2c1 254943738 PGOUVSFOEXNQKO-FPLPWBNLSA-N 280.302 3.678 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cccc(F)c1C#N 609823320 RYBQGTPRARLZFI-MLGOLLRUSA-N 290.382 3.951 30 20 CHED C[C@H](CC#N)Nc1ncnc2sc3ccccc3c12 440640315 VYVWZVJSUGVXQQ-SECBINFHSA-N 268.345 3.559 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1)C1CC1 446632672 VDAKHMMABJIVQW-IAGOWNOFSA-N 298.430 3.758 30 20 CHED Cc1ccccc1C1(CNC[C@H](C)CCC#N)CC1 602530938 SSHFEOZYBIEDOF-CQSZACIVSA-N 256.393 3.556 30 20 CHED C=CC[C@H]1N(Cc2cnn(CC(F)F)c2)CCCC1(C)C 353231259 NKNJAVRSJANDQO-CQSZACIVSA-N 297.393 3.715 30 20 CHED Cc1cc(CNc2ccc3oc(CO)cc3c2)ccc1C#N 600859505 AVLMXXVNWNNRBR-UHFFFAOYSA-N 292.338 3.717 30 20 CHED C=C(CC)CSCC(=O)NCc1cccc(Cl)c1 358637140 QIFKPGZRFDNZKR-UHFFFAOYSA-N 283.824 3.656 30 20 CHED C=CCN[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 537058119 KRVYFQRPVHNJOD-QGZVFWFLSA-N 297.398 3.763 30 20 CHED C=CC[C@@H]1N(CC[C@H]2CCCN2C)CCCC1(C)C 444794098 UPWHZIXQQZQPMY-CVEARBPZSA-N 264.457 3.537 30 20 CHED N#Cc1cc(Cl)ccc1CSc1ccncc1 358779223 JRJCFDAJDILZTB-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC(C)(CCC#N)CNCc1c(F)cccc1Cl 266203562 LZKHAMQEIUNKQN-UHFFFAOYSA-N 268.763 3.899 30 20 CHED C=CCCC(=O)CSc1nnc(-c2ccc(F)cc2)o1 534241960 UDHUVHKTAYDCOR-UHFFFAOYSA-N 292.335 3.503 30 20 CHED CC1CCC(CC(=O)N(CCC#N)Cc2ccccn2)CC1 359958616 LDVGORYNBJPISY-UHFFFAOYSA-N 299.418 3.540 30 20 CHED C=CCCNC(=O)C1(c2cccc(F)c2)CCCCC1 617614511 BVCDNUVSHWQQOI-UHFFFAOYSA-N 275.367 3.720 30 20 CHED CS[C@H](C)CCC(=O)N[C@@H](CCC#N)c1ccccc1 358703158 XRCIOEAIENHDBB-HIFRSBDPSA-N 290.432 3.679 30 20 CHED C=CCc1cc(CN(CC2CC2)C(C)C)cc(OC)c1O 534337043 KSRQUURGGOWKQO-UHFFFAOYSA-N 289.419 3.750 30 20 CHED Cc1ccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1 618667947 NPWGDPPVQGTKQS-KRWDZBQOSA-N 291.354 3.676 30 20 CHED Cc1cc(F)ccc1NCc1cn2ccccc2c1C#N 446623910 MBVQHFUIKAUZJM-UHFFFAOYSA-N 279.318 3.871 30 20 CHED C[C@H](CC(=O)N(C)c1ccccc1C#N)c1ccccc1 359227267 WEBVYLKFHBMSEE-CQSZACIVSA-N 278.355 3.715 30 20 CHED Cc1ccccc1[C@H](NC(=O)CC#N)[C@@H]1CCC[C@@H](C)C1 356223587 OFGJGHDGISWJBM-DDUZABMNSA-N 284.403 3.892 30 20 CHED CN(Cc1cccc(O)c1)c1nc(C(C)(C)C)ccc1C#N 613430549 BJQYMUMPQCUXLF-UHFFFAOYSA-N 295.386 3.593 30 20 CHED C=CCC1(C(=O)NCc2sc(C)nc2C)CCCC1 449956296 BQUJOFZJWBLBNT-UHFFFAOYSA-N 278.421 3.513 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)s1 610521930 GPOGGUCRIZMUBK-OAHLLOKOSA-N 296.395 3.769 30 20 CHED CC(C)OCCNc1ccccc1Oc1ncccc1C#N 267199440 JBIQPBWCEDKIDX-UHFFFAOYSA-N 297.358 3.582 30 20 CHED C=CCC1(NC(=O)c2cccc(Cl)c2C)CCOCC1 618250763 OATHSTQCVTZMED-UHFFFAOYSA-N 293.794 3.504 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCCc1ccc2[nH]ccc2c1 442806673 CNRWHVYEAZHQSC-ZIAGYGMSSA-N 256.393 3.901 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(F)cc1C#N 611541138 BUGLAOKBPDCIBD-GXSJLCMTSA-N 286.272 3.865 30 20 CHED CCC[C@H](NC(=O)c1cccc(C#N)c1)C(C)(C)C 452657013 BKNUVMKYERUEOD-AWEZNQCLSA-N 258.365 3.503 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc(SCC)cc1 453347663 INNMHQIQFXHMJM-UKRRQHHQSA-N 279.449 3.776 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)N(C)c2ccccc2C#N)C1(C)C 610795830 OOGMNFRQPFFOLZ-GOEBONIOSA-N 282.387 3.759 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)n2)C1 617778342 DRKSKSARRSNXKK-NSHDSACASA-N 298.308 3.529 30 20 CHED Cc1cccc2c(N3CCC(C)CC3)c(C#N)cnc12 610211099 SCIJPIMRHROWBW-UHFFFAOYSA-N 265.360 3.651 30 20 CHED Cc1cc(N2CCC[C@](C)(C#N)C2)c2cccc(F)c2n1 612107411 QCWMEGDCWFTVGB-QGZVFWFLSA-N 283.350 3.812 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)c(F)cc2F)C1 617782412 FHILPVWYSJJCAU-LBPRGKRZSA-N 279.330 3.702 30 20 CHED CC(C)N(C)c1cccc(NC[C@H](C)CCC#N)c1 618888363 QVQFMJOUQIELEZ-CQSZACIVSA-N 259.397 3.883 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)CC#N)C1CCCCC1 457989936 OMTIEEFKBSUYTO-ZDUSSCGKSA-N 264.413 3.649 30 20 CHED CCc1cccc(OCCNc2cccc(CC#N)c2)c1 453144698 KTGZUXYXGCPDMZ-UHFFFAOYSA-N 280.371 3.806 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCCC#N)cc1 273263761 NHOCJXIIDCREOA-ZDUSSCGKSA-N 278.783 3.772 30 20 CHED C=CCSc1ccccc1C(=O)Nc1nc(C)cc(C)n1 361443335 QTEYEMOXNAECCT-UHFFFAOYSA-N 299.399 3.624 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](OC)C(C)(C)C2)CCCCC1 452862999 LNKRJXHLFUZRJL-OAHLLOKOSA-N 293.451 3.787 30 20 CHED CC(C)(CNc1c(Cl)cccc1C#N)c1ccccn1 450620076 VCJVBNPAQWDAQB-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CC#CCCNC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 544579740 XNTWORGMEOKDQN-NSHDSACASA-N 298.213 3.702 30 20 CHED C=CCC1(NC(=O)CCC(=O)c2ccccc2)CCCC1 619106540 RGEBPNSPQUADPU-UHFFFAOYSA-N 285.387 3.655 30 20 CHED C[C@H](c1c(F)cccc1F)N(C)CC1(C#N)CCC1 450293047 ZNQOPNWVRNAGGR-LLVKDONJSA-N 264.319 3.651 30 20 CHED Cc1[nH]c2ccc(-c3noc(CSCC#N)n3)cc2c1C 273956571 OQXNSZAHGOWLQZ-UHFFFAOYSA-N 298.371 3.592 30 20 CHED COc1ccc(C2(N[C@H](C)c3cccc(C#N)c3)CC2)cc1 540723537 SEEVIPLKYFSWSZ-CQSZACIVSA-N 292.382 3.907 30 20 CHED C=CCCCc1nc(CSCc2ccco2)no1 273799238 SJPIETCQMAGBRL-UHFFFAOYSA-N 264.350 3.605 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 455252532 VAGIVDLZFLZLFR-UHFFFAOYSA-N 291.351 3.545 30 20 CHED COc1cccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 540708830 DMYLVXQKOOYUKZ-NSHDSACASA-N 270.307 3.879 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 362692055 NZNSKMRUIHXYQC-VXGBXAGGSA-N 289.404 3.634 30 20 CHED CCc1c([C@H](C)NCCCC#N)oc2ccccc12 273294451 STIYSTZZDOWHHN-LBPRGKRZSA-N 256.349 3.950 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455013732 YGDPZAQFBISDBH-KBPBESRZSA-N 286.419 3.678 30 20 CHED N#CCCC[S@](=O)Cc1cccc(Cl)c1Cl 278063794 KYVODTPHKRHAKC-INIZCTEOSA-N 276.188 3.546 30 20 CHED Cc1cc(F)c(CNCC(C)(C)CC#N)c(Cl)c1 459733799 QXXQJPWILGUVTI-UHFFFAOYSA-N 268.763 3.817 30 20 CHED C=CC[C@@H](C)N[C@@H](c1ccc(F)cc1)c1ccccn1 542496378 NVAHQSVVJXZKPN-DYVFJYSZSA-N 270.351 3.864 30 20 CHED CCOc1cc(CNCCCC#N)ccc1OCC(C)C 273079474 QHAHZZMKLSIDJK-UHFFFAOYSA-N 290.407 3.513 30 20 CHED C=CCC1(C(=O)NCCc2ccncc2C)CCCCC1 450233258 NGDNDSMNAMTSOK-UHFFFAOYSA-N 286.419 3.575 30 20 CHED CS[C@@H](CNCc1ccc(C#N)cc1F)C(C)(C)C 543237053 NQBSFFCCBRBOOF-AWEZNQCLSA-N 280.412 3.565 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(CC#N)cc1)C1CC1 270316141 SLEWAXGSXJHFRO-KGLIPLIRSA-N 284.403 3.792 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCC[C@H](CC)C1 542186528 VQGOJORXJCTXSD-IHRRRGAJSA-N 252.402 3.609 30 20 CHED C[C@H](CC#N)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 548120506 TXQAZTJWEVCBRP-MZHSRFCDSA-N 288.435 3.791 30 20 CHED CC[C@@H](NCCCCn1ccnc1C)c1ccc(C#N)cc1 278673123 JIPYJBAZZOLFBG-GOSISDBHSA-N 296.418 3.584 30 20 CHED Cc1cnc(Nc2ccc(C(C)(C)C#N)cc2)c([N+](=O)[O-])c1 463058619 WTVZXMFATGPGII-UHFFFAOYSA-N 296.330 3.843 30 20 CHED CC#CCCSCc1ccc(OC(F)F)cc1 462372147 SSAXSYNUBUVYJZ-UHFFFAOYSA-N 256.317 3.935 30 20 CHED CC(C)c1ccoc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 284161645 JXLAATOIJWPMBA-MLGOLLRUSA-N 274.364 3.605 30 20 CHED C=CCCC(C)(C)NC(=O)COC[C@@H](C)c1ccccc1 620864566 HTCPQNMOFUCGOC-OAHLLOKOSA-N 289.419 3.668 30 20 CHED C=CCCCC(=O)NCCc1ccc(Cl)c(C)c1 462447803 PTDWAVJSHOVENV-UHFFFAOYSA-N 265.784 3.663 30 20 CHED CC[C@H](CC#N)N[C@H]1CCC[C@H]1c1ccc(C)cc1 468474439 FWSCJLCLBQZSIO-IKGGRYGDSA-N 256.393 3.913 30 20 CHED C=CCC[C@H](NC[C@@H](CCC)CCO)c1ccco1 286209853 RZDPSFSBJHGLAZ-GJZGRUSLSA-N 265.397 3.675 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 281102251 AMZXCALENONYJX-FZMZJTMJSA-N 284.325 3.918 30 20 CHED N#CCc1ccc(COC(=O)[C@H]2CCCC(F)(F)C2)cc1 283358958 BWADFBWJPMDQOR-AWEZNQCLSA-N 293.313 3.621 30 20 CHED C=CC[C@H](CC)NC1CCN([C@@H]2CCC[C@@H](C)C2)CC1 467405835 HSMOWZDOIWGUEZ-SOLBZPMBSA-N 278.484 3.974 30 20 CHED N#Cc1ccc(CN2CCCC[C@H]2Cc2ccccc2)nc1 551063610 WTQZLYNIFBWNQT-IBGZPJMESA-N 291.398 3.550 30 20 CHED C=CCCN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 467286405 UWGISZXRWJYWJY-UHFFFAOYSA-N 294.398 3.947 30 20 CHED C=CCC[C@@H](NC[C@H](O)C(CC)CC)c1ccco1 552246379 SDFVVYNEBBVKAB-CABCVRRESA-N 265.397 3.674 30 20 CHED CC[C@H](Nc1ncccc1C#N)c1ccc(OC)c(OC)c1 286400363 PNQXPDCUMVZYFA-AWEZNQCLSA-N 297.358 3.534 30 20 CHED CC(C)[C@H](Cc1ccccc1)NCCc1cccc(C#N)c1 467433084 HCFUJJQHKWKEBJ-FQEVSTJZSA-N 292.426 3.958 30 20 CHED C=CCC[C@@H](C(=O)N(CC)C[C@@H](C)OC)c1ccccc1 462873767 YTKKZSJSDKFFKB-NVXWUHKLSA-N 289.419 3.620 30 20 CHED C=CCC[C@H](NC[C@]1(C)CCCC[C@@H]1O)c1ccco1 552044385 AJNHDPPBIDMGJV-XIRDDKMYSA-N 277.408 3.818 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N1CCCC(C)(C)[C@@H]1C#N 477098088 LLHPEWIZXDSLIB-KFWWJZLASA-N 276.424 3.744 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(C)cs2)cc1 294816361 VTXVRECBANEHSG-UHFFFAOYSA-N 284.384 3.925 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CCCC[C@@H]1CCC(C)C 551847176 IEDICKNTCGLTOL-MRXNPFEDSA-N 299.418 3.693 30 20 CHED C=CCCCCCCNC(=O)c1c(C)cccc1[N+](=O)[O-] 805219201 AGIDLNXTMMYWFR-UHFFFAOYSA-N 290.363 3.770 30 20 CHED C=CC[C@@H](C)NC(=O)c1c(F)cc(C(F)(F)F)cc1F 290630561 YRJXYKXAUMESPV-SSDOTTSWSA-N 293.235 3.678 30 20 CHED COc1cccc(C(=O)/C=C\c2c[nH]c(C(F)(F)F)c2)c1 806565148 IFQBGTYUIHRYGO-WAYWQWQTSA-N 295.260 3.938 30 20 CHED C=CCOCCS[C@H](C)c1c(F)cccc1F 565128893 MSURKOYMFFRVKR-SNVBAGLBSA-N 258.333 3.962 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cc(C)c(OC)cc1Cl 808900462 OMRGPKMGQTYEQZ-NSHDSACASA-N 294.782 3.580 30 20 CHED C=CCNC(=O)Nc1cccc(COC(C)(C)C)c1C 475992833 YTDNIRMAWGDJAC-UHFFFAOYSA-N 276.380 3.618 30 20 CHED C=CCCOCCN[C@@H](C)C1CCC(C(F)(F)F)CC1 474890906 YCBLAGIITOEVJM-HSBZDZAISA-N 293.373 3.926 30 20 CHED C#CCCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 808764323 RAJFPCXDAOCYIW-AWEZNQCLSA-N 266.344 3.548 30 20 CHED C=CCOCCCSc1ncnc2sc(C)c(C)c12 475964345 ASFOLBWZEIJJOM-UHFFFAOYSA-N 294.445 3.993 30 20 CHED COC(=O)c1cccc(NN=C2CCC[C@@H]2CCCF)c1 800815625 HVRNTUDVAFBPIP-GFCCVEGCSA-N 292.354 3.791 30 20 CHED C=CCC[C@@H](NC[C@H]1Cc2ccccc2O1)c1ccco1 560544872 KAKHCJUMCHAETD-HZPDHXFCSA-N 283.371 3.880 30 20 CHED C=CCOCCCOc1cc(Br)ccc1C 478842936 YKWJXOMEJQTSAO-UHFFFAOYSA-N 285.181 3.729 30 20 CHED C=CC[C@@H](C)C(C)=NNc1nccnc1C1CCC1 807992281 BZTGICKGZNUIFW-LLVKDONJSA-N 258.369 3.744 30 20 CHED C=C(CC)COC(=O)[C@@H](C)Cc1cncc2ccccc12 805681640 GHCZCHIAJMDREM-AWEZNQCLSA-N 283.371 3.923 30 20 CHED C=CCCCCCCCCNC(=O)C1(C#N)CCC1 807843720 NXPHNCINZKCUQH-UHFFFAOYSA-N 262.397 3.713 30 20 CHED CC(C)(C#N)CC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 295829323 UTBYXKLGWACFAK-JKSUJKDBSA-N 284.403 3.626 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(CN(CC)CC)cc1 298375163 ARGGPHZMMFYTHQ-UHFFFAOYSA-N 288.435 3.567 30 20 CHED C=C(Cl)CNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 292942213 FGVVCSPWMPEKKL-AWEZNQCLSA-N 290.794 3.676 30 20 CHED N#Cc1ccc(CNc2ccc([C@@H]3CCOC3)cc2)c(F)c1 293174735 WIERKJMWZVVPPL-MRXNPFEDSA-N 296.345 3.813 30 20 CHED CCCCCCCCNCc1cnc([C@H](C)O)s1 809601512 DRHSABTXYDMNAF-LBPRGKRZSA-N 270.442 3.647 30 20 CHED C=CCCCCCCNC(=O)C[C@H](C)n1nc(C)cc1C 805220014 DCVOSXHWEHROSR-INIZCTEOSA-N 291.439 3.704 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cn(C)cn1)CCO2 800794434 GRDDAVWJDZFYKV-RIYZIHGNSA-N 296.370 3.592 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCSc1ccc(Cl)cc1 803787301 VGGQHXLEFIXRDE-AWEZNQCLSA-N 297.807 3.915 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1CCC(C)C 489039332 ITGAUCLCXBCWRJ-OAHLLOKOSA-N 274.408 3.715 30 20 CHED CCc1ccc(C(C)=NN[C@@H](C)c2ccncc2)s1 819814947 JARGZYHZBHTEBD-NSHDSACASA-N 273.405 3.780 30 20 CHED CSCC1CCC(=NN[C@H](C)c2ccncc2)CC1 819819293 WHLNRRSBDMIFJK-PZORYLMUSA-N 277.437 3.641 30 20 CHED CC[C@H](C=NNc1cccc(F)n1)c1ccccc1 814927815 HYEGVRHKZOYYFM-GFCCVEGCSA-N 257.312 3.812 30 20 CHED CC1(C)CC(=NNc2ccc(Cl)c(C(=O)O)c2)C1 814688551 CALLGFQFSGAQAB-UHFFFAOYSA-N 266.728 3.626 30 20 CHED C=CCC(F)(F)C(=O)NCCc1cc2ccccc2s1 818274903 CXIDKQZIAZAKHE-UHFFFAOYSA-N 295.354 3.771 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](C)CCCC(C)C 810017851 LVPUBOWXDVCCSG-HNNXBMFYSA-N 271.404 3.541 30 20 CHED CC1(C)CC(C)(C)c2cc(NC(=O)NCCC#N)ccc21 488925125 IXPUWRBFNYVPGP-UHFFFAOYSA-N 285.391 3.681 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CCCCC 489287158 ISNDPDYNFNGIEH-CABCVRRESA-N 267.413 3.539 30 20 CHED CCC(=NNc1nccnc1Cl)c1ccc(F)cc1F 814850576 UHGSBZVYNATESU-UHFFFAOYSA-N 296.708 3.634 30 20 CHED Cc1nc(N2CCc3cc(Cl)ccc32)ccc1C#N 487749077 JQEASALPHSBITQ-UHFFFAOYSA-N 269.735 3.609 30 20 CHED CC1=C(C)CN(Cc2ccc(Cl)cc2C#N)CC1 483383676 ZBNNHTXTMNTIJF-UHFFFAOYSA-N 260.768 3.754 30 20 CHED CC(C)N(C)c1cccc(NC(=O)c2ccc(C#N)s2)c1 487273073 SJAOEZLZPWAGHB-UHFFFAOYSA-N 299.399 3.717 30 20 CHED C[C@](C#N)(NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 577292659 KABFUSWCTCRXLV-YRBFXIGRSA-N 288.435 3.791 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)cc(Br)c1 486378992 MAMJJNJZTOYRSI-SNVBAGLBSA-N 297.196 3.844 30 20 CHED Cc1ccc2sc(C(=O)OCC3(C#N)CC3)cc2c1 810877023 PHMBEGYPPMCFRM-UHFFFAOYSA-N 271.341 3.670 30 20 CHED Cc1cc(N2CCC[C@@](C)(c3ccccc3)C2)cc(C#N)n1 571667246 BCRQWNBPPHGTIJ-LJQANCHMSA-N 291.398 3.820 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1sc(CCC)nc1C 488861054 VBEYKDDXRFPLAM-GFCCVEGCSA-N 278.421 3.585 30 20 CHED CC(=NNc1ncccc1F)c1cccc(C2CC2)c1 814927362 KVKFBUJQQPDUCY-UHFFFAOYSA-N 269.323 3.934 30 20 CHED C[C@H](NN=C1CC(c2ccccc2)C1)c1ccncc1 819817858 GJSNRYYJSPPFGY-KNVGNIICSA-N 265.360 3.666 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@H](C)[C@@H](C)C1 570295874 ATCDSIYOCJKXET-KBPBESRZSA-N 288.439 3.604 30 20 CHED C=C1CCN(C(=O)c2coc3ccc(Cl)cc23)CC1 651263779 ITVRMJYJBCFBGN-UHFFFAOYSA-N 275.735 3.878 30 20 CHED C=CCOCCOC(=O)c1ccccc1Oc1ccccc1 813895643 WRYMYBANSOIRFY-UHFFFAOYSA-N 298.338 3.838 30 20 CHED CCOc1ccccc1CN1CCC(CCC#N)CC1 571758133 LUQRHRMJYGHDGU-UHFFFAOYSA-N 272.392 3.601 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(F)c2)ccc1O 728232482 UJJTUPSGIHCFHN-ALCCZGGFSA-N 256.276 3.736 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@@H]1c1ccccc1 810015270 WEPASLTXNAEBMO-LJQANCHMSA-N 289.378 3.574 30 20 CHED C=C(C)CCNC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 653055341 WZVXJJDBNCSWMX-UHFFFAOYSA-N 297.402 3.510 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](C)CCCCCC 814135398 WMATVIZRDRYZPS-CQSZACIVSA-N 250.386 3.521 30 20 CHED CCC(=NOCc1ccccc1OC)c1cccc(N)c1 814923648 MAHIXFWNARGGKM-UHFFFAOYSA-N 284.359 3.608 30 20 CHED C=CCN(CCOC)C(=O)Nc1ccc(C2CCC2)cc1 489800936 HSXVAIRMFWAPSS-UHFFFAOYSA-N 288.391 3.620 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cccnc1Cl)C2=O 728697611 TVKRKPIUGMIBSD-JYRVWZFOSA-N 269.731 3.866 30 20 CHED CN(C)c1ccc(NC2CCC(C)(C#N)CC2)cc1 823529135 FRNOQNSKLGPURO-UHFFFAOYSA-N 257.381 3.637 30 20 CHED CCCCCCCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 726894495 XFVJINJWTXGOED-UHFFFAOYSA-N 288.351 3.824 30 20 CHED CC[C@H](C(=O)N(CC#N)c1ccccc1)c1ccccc1 497908888 FHTJGERIXQAGAB-KRWDZBQOSA-N 278.355 3.737 30 20 CHED N#Cc1cc2c(nc1NC(=O)/C=C/C1CCCC1)CCCC2 493129229 VBNLCBMEILOYNW-MDZDMXLPSA-N 295.386 3.517 30 20 CHED C=CCC1(NC(=O)NC[C@@H](C)CC(F)(F)F)CCCC1 665143647 HOWCXBGZNQEBBU-NSHDSACASA-N 292.345 3.763 30 20 CHED CC(C)(C(=O)OCc1cccc(C#N)c1)c1ccc(F)cc1 728648536 SUIFYDMHCZPNGN-UHFFFAOYSA-N 297.329 3.718 30 20 CHED C#Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)CC)cn1 728805106 GPMNOKCXJYNXGV-HNNXBMFYSA-N 292.382 3.504 30 20 CHED CC(C)c1[nH]ccc1C(=O)N[C@@H](C)c1cccc(C#N)c1 586790937 HYRLCQHWARCNMD-LBPRGKRZSA-N 281.359 3.501 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@@H](C2CCC2)C1)c1ccccc1 665682815 JOMLZDHGMSSIPG-MAUKXSAKSA-N 283.415 3.995 30 20 CHED COc1ccc(/C=C2\Cc3c(C)cccc3C2=O)c(OC)c1 729151040 ODEIMQYQVDFGDG-NTEUORMPSA-N 294.350 3.835 30 20 CHED O=C1/C(=C/c2ccc3oncc3c2)Cc2ccccc21 821027832 MFBMSKPQSRHHDW-NTUHNPAUSA-N 261.280 3.650 30 20 CHED C#CC1CCN(C(=O)N[C@H](CC)c2ccc(C)cc2)CC1 825583119 LJDGFMTZSAGJED-QGZVFWFLSA-N 284.403 3.501 30 20 CHED C#CCN(CC)C(=O)Nc1cc(-c2cccnc2)ccc1C 491362941 WAGYCKMHQACVOE-UHFFFAOYSA-N 293.370 3.544 30 20 CHED O=C(CC1CCSCC1)N(O)Cc1ccccc1Cl 904190154 INFXNLZDTQGDRI-UHFFFAOYSA-N 299.823 3.591 30 20 CHED C#C[C@@H](CC)NC(=O)c1c(Cl)cc(Cl)cc1Cl 491426745 HJYMCHSTKBZLFD-QMMMGPOBSA-N 290.577 3.788 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)O[C@H](C)C#N)cc1 738740848 ITVQGEVDPSEGOO-QWHCGFSZSA-N 259.349 3.759 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)cc1)c1ccccc1 730817522 PUCSSKAYPFVJSG-GOSISDBHSA-N 264.372 3.973 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CCc1ccccc1F 735670829 WIYWTJVGLMTPRY-CQSZACIVSA-N 282.362 3.933 30 20 CHED C#Cc1ccc(C(=O)N(CCC)c2ccc(Cl)cc2)cn1 732016389 QIUFYUMSLAQSNJ-UHFFFAOYSA-N 298.773 3.773 30 20 CHED C#CCCOc1ccc(-c2nc(-c3ccsc3)no2)cc1 904299185 VROPPJGOFICHSD-UHFFFAOYSA-N 296.351 3.867 30 20 CHED CCC(=NNc1cc(C)ncn1)c1ccc(Cl)s1 733204721 WEESINZZBMLHLB-UHFFFAOYSA-N 280.784 3.726 30 20 CHED N#CC1(C(=O)OCCc2ccc3ccccc3c2)CCC1 736841785 LWWCWKWTPIAZEI-UHFFFAOYSA-N 279.339 3.619 30 20 CHED C=C1CC(c2noc(-c3ccc(C(C)=O)c(C)c3)n2)C1 903743619 VGVBZILTUJVELM-UHFFFAOYSA-N 268.316 3.681 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(Cl)cc(C)c1O 834895201 XGDPLVFEHLUWLA-GLQYFDAESA-N 295.810 3.738 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C#CC(C)C 831205415 WUEQVRALMLZUGO-CYBMUJFWSA-N 292.448 3.754 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(CCCCCC#N)n1 589122047 GBKPISSLSHLIPF-OLZOCXBDSA-N 261.369 3.990 30 20 CHED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C#CC1CC1 837332022 YMXFKZQZPPQUNO-JTQLQIEISA-N 296.197 3.926 30 20 CHED Cc1cc(F)ccc1Cc1noc(CCCCCC#N)n1 589148349 JOZSKXGNWCJHBY-UHFFFAOYSA-N 287.338 3.734 30 20 CHED CSCC[C@H](C)OC(=O)c1ccccc1SCC#N 835820569 KYWMPIQCSVKZIF-NSHDSACASA-N 295.429 3.601 30 20 CHED CCCN1Cc2cccc(NC(=O)CCCCCC#N)c2C1 588342590 IKVMBPQFMKBHJE-UHFFFAOYSA-N 299.418 3.825 30 20 CHED C=CC[C@@H](C(=O)O[C@H](C)c1csnn1)c1ccccc1 836098792 YNOYNWUJFAXYEI-DGCLKSJQSA-N 288.372 3.502 30 20 CHED C=CCCCOC(=O)c1c[nH]nc1C1CCCCC1 735535164 YPRKVAXRHVTXFH-UHFFFAOYSA-N 262.353 3.580 30 20 CHED C=CCONC(=O)N[C@@H](c1cccs1)C(CC)CC 838704479 RQHNMJBRFOILFK-CYBMUJFWSA-N 282.409 3.642 30 20 CHED N#CC1(CCN2CC[C@@H](C(F)(F)F)C2)CCCCC1 839533140 FVFRHCSRCNZVNX-GFCCVEGCSA-N 274.330 3.735 30 20 CHED Cc1nc(C=NNc2ccccc2C(F)(F)F)cs1 916259787 KPLXLOIMSBIDBM-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)CCCCCC 915887334 YOMVEORVUJXDLR-CQSZACIVSA-N 252.402 3.729 30 20 CHED C=CCCSCCNC(=O)c1ccc(C(C)(F)F)cc1 597969713 DWNHYUYOGWEHHT-UHFFFAOYSA-N 299.386 3.837 30 20 CHED C[C@]1(COC(=O)C2(C#N)CCCCC2)CC1(Cl)Cl 837465688 ICZITWKXYIUGPY-LLVKDONJSA-N 290.190 3.588 30 20 CHED Cc1ncsc1/C=C1/CCc2cc(C#N)ccc2C1=O 742436298 ACHYOZSKSWWECM-QPEQYQDCSA-N 280.352 3.536 30 20 CHED CCN(CC#N)Cc1cc2cc(Br)ccc2o1 596992602 WQJICZALMRTZGJ-UHFFFAOYSA-N 293.164 3.541 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)c1cc[nH]c1 745202013 NWLZZDXYVIULMM-UHFFFAOYSA-N 271.323 3.867 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2c(C)n[nH]c2C)c1 915983818 ASCKUBIAMRTAQE-FPLPWBNLSA-N 254.333 3.539 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C[C@H]2CC=CCC2)c1 745006586 ZVGLUKFIXZDXFH-LBPRGKRZSA-N 291.395 3.763 30 20 CHED Cc1cc(N)cc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 591580318 HQPLTXOZKVEIEB-IBGZPJMESA-N 291.398 3.616 30 20 CHED C[C@@H](C#N)N(Cc1cccc(CN2CCCCC2)c1)C1CC1 595711351 ZFBTWMYYXIJMSF-INIZCTEOSA-N 297.446 3.549 30 20 CHED C=C(Cl)CN(CCOCC)[C@H]1CCc2ccccc21 741244972 MJMIHUMDFXGMOQ-INIZCTEOSA-N 279.811 3.765 30 20 CHED CCCCO[C@@H]1C[C@H](/N=C/c2cccc(O)c2O)C1(C)C 749007065 AIWQFHCSBCQUFS-WCOBSMKMSA-N 291.391 3.501 30 20 CHED CCCC[C@@H](C(=O)N1CCC(CC#N)CC1)C(C)C 598694294 ICMRKPSFOPINJA-OAHLLOKOSA-N 264.413 3.601 30 20 CHED O=C1/C(=C/C2=Cc3ccccc3OC2)COc2ccccc21 749357881 LBWAMTWXCCHOPF-XNTDXEJSSA-N 290.318 3.664 30 20 CHED C#Cc1cccc(NC(=O)c2cc3cccc(F)c3o2)c1 741893950 CWQGWSAEXCKCHJ-UHFFFAOYSA-N 279.270 3.806 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1c1ncccc1C#N 596315303 BLTKZUXQGYSLRJ-INIZCTEOSA-N 277.371 3.912 30 20 CHED C=CCCSCCNC(=O)[C@H]1CCC(C)=C(C)C1 597974033 XPOYMNZLAQBWLO-AWEZNQCLSA-N 267.438 3.548 30 20 CHED N#CCOc1cccc(OCCCCC(F)(F)F)c1 842109198 YUEDTFJFXCMGBK-UHFFFAOYSA-N 273.254 3.700 30 20 CHED CC#CCN(CC)Cc1ccc(C(F)(F)F)cc1 741779929 FYRRVIPVPVGXMK-UHFFFAOYSA-N 255.283 3.551 30 20 CHED CC(=NNc1cncc(Cl)n1)c1cc(C)c(F)c(C)c1 741461225 YXFPACJQQASHGA-UHFFFAOYSA-N 292.745 3.722 30 20 CHED CCC[C@@H](C#N)NC(=O)c1coc2ccc(Cl)cc12 593107671 MKUSAKPUKPRMPG-JTQLQIEISA-N 276.723 3.508 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccco1 595062135 QWTMPQACVKAHLH-OHNQJVKOSA-N 295.448 3.566 30 20 CHED Cc1ccnc(-c2ccc(NCC3(CC#N)CC3)cc2)n1 594704751 GDKLYVLBDNZFHK-UHFFFAOYSA-N 278.359 3.558 30 20 CHED Cc1ccc(C=NOCCOc2cccc(F)c2)cc1 915213105 OLWWOTSSHLIWCC-UHFFFAOYSA-N 273.307 3.564 30 20 CHED CC(C)C[C@H]1CCCCCN1C[C@@H](O)CC(C)(C)C#N 598594194 ZJEPZFAELNIZTL-CVEARBPZSA-N 280.456 3.578 30 20 CHED C[C@H](CNCCc1ccc(C#N)cc1)c1ccc(F)cc1 594954178 DLYXGYIQZSIIHZ-CQSZACIVSA-N 282.362 3.633 30 20 CHED Cc1cccc(/C=C2/CCc3c(O)cccc3C2=O)c1 742435289 SLWORNHEOMYAFV-KAMYIIQDSA-N 264.324 3.913 30 20 CHED COc1cccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1O 846145156 OYJQBDQNVZQADQ-CHWSQXEVSA-N 296.370 3.684 30 20 CHED CCN(Cc1nc(-c2ccc(C(C)C)cc2)no1)[C@@H](C)C#N 595815650 PODFCJKFYKQJKB-ZDUSSCGKSA-N 298.390 3.594 30 20 CHED Cc1cccc(-c2cccc(CO[C@H]3CCOC3)c2)c1C#N 844231419 SIQSFHLJZWBEAN-KRWDZBQOSA-N 293.366 3.839 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)cc2F)c(O)c1 757472100 LBJSBIODKBFXKR-XVNBXDOJSA-N 290.265 3.575 30 20 CHED CC[C@H]1CCCC1=NNc1nc(-c2ccccc2)no1 758375407 SYOWJTKJIBQJQC-NSHDSACASA-N 270.336 3.715 30 20 CHED CCCC[C@](C)(F)C(=O)OCC1(C#N)CCCC1 850932131 AAGQVQIBIORCFF-ZDUSSCGKSA-N 255.333 3.532 30 20 CHED C#CC[C@@H](NC(=O)c1ccccc1OCC)c1ccccc1 758006624 OPJFJZHGDNYRAZ-QGZVFWFLSA-N 293.366 3.580 30 20 CHED C=C(Br)CN1CC[C@H](c2ccc(F)cc2)C1 756059731 UKUUAAZOYQYCFE-LBPRGKRZSA-N 284.172 3.524 30 20 CHED CCCOc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1OC 858604481 KNVAIAHFVWSTQN-STQMWFEESA-N 274.364 3.588 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cnc(CC)o1 929271352 WJGVSNDTWIURPL-UHFFFAOYSA-N 283.375 3.521 30 20 CHED C[C@H](Cc1ccncc1)Nc1nc2ccccc2cc1C#N 750030727 XLFCCEGWOLGBOK-CYBMUJFWSA-N 288.354 3.545 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1ccc(F)cc1OCC#N 857596892 YBYZHBKUEXLEFW-OAHLLOKOSA-N 296.317 3.585 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(Cl)c(C)c1)OCC 756487585 OVSKYSCKHFVUQR-AWEZNQCLSA-N 282.767 3.925 30 20 CHED C=CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 853801937 NYUAEPDWPKUKIJ-CYBMUJFWSA-N 288.347 3.590 30 20 CHED C#CCN(CC)C(=O)c1cccc(NCC(C)(C)C)c1C 757390927 UKDNHFVNRCAZPJ-UHFFFAOYSA-N 286.419 3.548 30 20 CHED C=C[C@H](CC(=O)NCCNc1ccccc1)c1ccccc1 759131184 DDCSVSYUMSRIPW-MRXNPFEDSA-N 294.398 3.575 30 20 CHED COc1ccccc1/C=C/C(=O)c1coc(C(C)C)n1 752884212 DLCAZWDYMGWPNN-CMDGGOBGSA-N 271.316 3.703 30 20 CHED CC(C)Cc1ccc(CCCC(=O)O[C@H](C)C#N)cc1 754283653 XAXXCDOEFSVBQI-CQSZACIVSA-N 273.376 3.663 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 933865498 VYEXKCBAHMBXKP-GJZGRUSLSA-N 297.402 3.652 30 20 CHED C#Cc1cccnc1NC[C@H]1CCCO[C@H]1c1ccccc1 853231262 GCEHNDGMDIVFHL-MSOLQXFVSA-N 292.382 3.643 30 20 CHED CN(C(=O)C#CC1CC1)[C@H]1CCCC[C@@H]1c1ccccc1 854952959 PUSWDWHDUMAHMW-MSOLQXFVSA-N 281.399 3.585 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2C)c(OC)c1 750944899 BLRREIRPHMLZED-UHFFFAOYSA-N 288.322 3.597 30 20 CHED CS/C=C\C(=O)Nc1ccccc1SCCC#N 751581205 YYBFDUONMVJIAA-YFHOEESVSA-N 278.402 3.508 30 20 CHED CC(C)(C)[C@@H]1CCN1c1ccc(C#N)c(Br)c1 1458708858 MGFDIRUIZQWESR-ZDUSSCGKSA-N 293.208 3.946 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cccc(SC)c1 860198908 GNDCUOCYHWDZQG-UHFFFAOYSA-N 277.389 3.782 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccsc1C(F)F 931304560 TVVISGSIFBCJDB-CYBMUJFWSA-N 286.347 3.744 30 20 CHED COc1ccsc1/C=C1/CCc2c(O)cccc2C1=O 764435718 PJUQEOXPXSOKQQ-KTKRTIGZSA-N 286.352 3.675 30 20 CHED Cc1cc(C=NNc2nncc3ccccc23)c(C)s1 760222997 ADEOQYJXELRPCG-UHFFFAOYSA-N 282.372 3.754 30 20 CHED CCCOc1ccc(NC(=O)[C@](C)(C#N)CC)cc1C 863525692 FCYLWRSCUHQKKG-INIZCTEOSA-N 274.364 3.662 30 20 CHED Cc1cc(OC(=O)[C@@H](c2ccccc2)C2CC2)ccc1C#N 765093516 KWKHPDSGOJOMBJ-SFHVURJKSA-N 291.350 3.966 30 20 CHED O=C(/C=C\c1cncs1)c1nc2ccccc2s1 767720573 FAHMKWZRIXHRPO-WAYWQWQTSA-N 272.354 3.649 30 20 CHED CC(=NNC(=S)Nc1ccccn1)[C@@H](C)c1ccccc1 767805346 BOBSKXJDHUKXMT-GFCCVEGCSA-N 298.415 3.548 30 20 CHED Oc1ccccc1/C=N\C1CC(OCc2ccccc2)C1 766010407 STGRKAZMLUDFJA-UNOMPAQXSA-N 281.355 3.559 30 20 CHED FC(F)C1CC(=NNc2ccc(Br)cc2)C1 766020823 XWRUEBIBKQSNDT-UHFFFAOYSA-N 289.123 3.892 30 20 CHED C#C[C@H](C)OC(=O)c1cc(C(F)(F)F)ccc1Cl 860560412 ICAAFCVPPKBMLB-ZETCQYMHSA-N 276.641 3.537 30 20 CHED CCCCCCCCCN(C)Cc1cnc2cnccn12 768991966 NIGFTMTULBNXHY-UHFFFAOYSA-N 288.439 3.912 30 20 CHED C#CC[C@@H](NCCOc1ccccc1F)c1ccccc1 775404472 OOQLSBAJBLYPPK-QGZVFWFLSA-N 283.346 3.559 30 20 CHED CC[C@](C)(C#N)c1nnc([C@H](C)Oc2ccccc2F)o1 1118367449 MYVGXDLWRWIFHX-ZUZCIYMTSA-N 289.310 3.540 30 20 CHED CCCc1ccc(C(C)=NOC2CCOCC2)cc1 774460903 ZAUQSAGNEGCOSJ-UHFFFAOYSA-N 261.365 3.559 30 20 CHED CC(=NNc1cncnc1)c1ccc(C2CCC2)cc1 872372955 UCDJPYASMRAMCW-UHFFFAOYSA-N 266.348 3.580 30 20 CHED COc1ccc(C(C)=NNc2cc(Cl)ccn2)c(F)c1 777905358 HVXPWXOGLCXVIK-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C#CCCCCCCNc1cccc(C[S@](C)=O)c1 876861792 DKAILGCCBLYGSG-IBGZPJMESA-N 277.433 3.561 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)O[C@@H](C#N)C1CCCCC1 775074008 PDQBQUCNFNVZCD-YCPHGPKFSA-N 263.381 3.684 30 20 CHED C#CCCCCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 773204026 BASDQPAQKMKEHE-UHFFFAOYSA-N 297.402 3.993 30 20 CHED C#CCCCCC(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1 773622599 AHPPOQBLHADQPO-LBPRGKRZSA-N 292.762 3.648 30 20 CHED C=CC[C@@H](C(=O)OCc1ccc(C)nc1)c1ccccc1 778693571 PTOAHBZNRWOCHD-QGZVFWFLSA-N 281.355 3.793 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(-c2cnn(C)c2)c1 775923423 OUMUFQBRDWJOFN-CQSZACIVSA-N 297.402 3.562 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cn(C)nc2CC)cc1 770571667 VBRJAHSFWHLXJR-QXMHVHEDSA-N 282.387 3.831 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C3=CCCCCC3)[nH]c12 774104283 QSSOYUWSXMARNU-AWEZNQCLSA-N 293.370 3.938 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2c(Cl)cc(F)cc2C1 880159887 OWVSJZRAWBKZTQ-UHFFFAOYSA-N 295.785 3.966 30 20 CHED Cc1cscc1-c1noc(COc2cccc(C#N)c2)n1 771524620 GYBAFHLPUBVMGG-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1nccs1 776786207 RTLQJVVPAYYXDH-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C=CCC[C@H](C(=O)NOC1CCCC1)c1ccccc1 777819731 ZCQAIMLKXOZWAS-INIZCTEOSA-N 273.376 3.727 30 20 CHED CSc1cc(C(=O)O[C@H](CC#N)c2ccco2)c(C)o1 1123370283 UCIXLMMWIGVNDA-GFCCVEGCSA-N 291.328 3.715 30 20 CHED C[C@H](CC#N)NC(=O)Nc1cc(Cl)cc(Cl)c1F 880892829 TYNILHDXTKFMEY-ZCFIWIBFSA-N 290.125 3.556 30 20 CHED C=C1CCC(C(=O)Nc2cc(F)c(OC)cc2F)CC1 889491966 YNCUYQNRAJRHKL-UHFFFAOYSA-N 281.302 3.658 30 20 CHED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/C(=O)c1cccnc1 787166484 AVVYFVZNEQUGKF-JXQIQDKBSA-N 294.310 3.832 30 20 CHED CC(C)C(C)(C)C(=O)O[C@H](C)c1ccc(C#N)cc1 784129800 KCJFSYBDPKAPFX-GFCCVEGCSA-N 259.349 3.845 30 20 CHED CC(C)OCCON=Cc1ccc(Cl)cc1Cl 782306435 BOQTUKWWBDXRIF-UHFFFAOYSA-N 276.163 3.769 30 20 CHED Cc1ccc(-c2ccc(C(=O)N(C)[C@@H](C)C#N)c(F)c2)cc1 1129419781 JFBALAILIUVRGA-ZDUSSCGKSA-N 296.345 3.785 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccccc1[N+](=O)[O-] 783772584 MVLZJPQKJVHMIY-NEPJUHHUSA-N 261.325 3.819 30 20 CHED CC(=NNc1ccccc1F)c1cnn(C(C)C)c1C 787151310 AFZIMPJRCDHTLV-UHFFFAOYSA-N 274.343 3.748 30 20 CHED CCCCOc1ccc(C(C)=NNc2ccc(C)nn2)cc1 789003624 DDNSETLEMWDVFK-UHFFFAOYSA-N 298.390 3.800 30 20 CHED CCCCCC[C@@H](C)CC(=O)NCc1ccc(C#N)cn1 782027765 RBHIVLKTRZMGIF-CQSZACIVSA-N 287.407 3.566 30 20 CHED C#CCC1(C(=O)N[C@H]2CCC(C)(C)C2)CCCCC1 788237854 ZBBKAYQIZBGNFM-AWEZNQCLSA-N 261.409 3.655 30 20 CHED CSc1ccc2c(c1)CCCC2=NOC[C@H]1CCOC1 788036669 LCBMPMRWZWYKCT-LBPRGKRZSA-N 291.416 3.502 30 20 CHED CC[C@@H](C)c1ccc(C(=O)Nc2ncc(C#N)s2)cc1 896484055 BIFHOVVYDTVXBX-SNVBAGLBSA-N 285.372 3.781 30 20 CHED Cc1ccc(CC(=O)OCCCC(C)(C)C#N)cc1C 782072665 ULERKZMLCIZWMU-UHFFFAOYSA-N 273.376 3.719 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)[C@@H]1Cc2ccccc21 780037014 XXDVAVDXLSQJCU-MRXNPFEDSA-N 297.741 3.595 30 20 CHED Oc1nc2ccccc2cc1/C=N/C[C@H]1CCCCS1 783682197 TUNHFSOZSYSULQ-NGWPFTMJSA-N 286.400 3.645 30 20 CHED N#CCC[C@H](NC(=O)N1C[C@H]2CCC[C@H]1C2)c1ccccc1 893776637 IQWCOKORDRVPEJ-XIRDDKMYSA-N 297.402 3.615 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(-c3ccon3)cc2)C1 897364117 SLYJVEQKGINPRK-DOMZBBRYSA-N 267.332 3.836 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1C#N 799303083 AVORBMIQPNAYFP-CZUORRHYSA-N 270.376 3.517 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)o1)c1cccc(Cl)c1F 796155192 ZTXNTQMSJOXHMR-MRVPVSSYSA-N 293.681 3.862 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@@H](CC(=O)OC)[C@H]1C 794514516 CQOUEXSRHNANMK-ZNMIVQPWSA-N 296.455 3.900 30 20 CHED CC(=NNCCOC(C)C)[C@H](C)c1ccc(Cl)cc1 794526885 RWWCLFHDKKSQND-LBPRGKRZSA-N 282.815 3.834 30 20 CHED C[C@H](CCC#N)CN1CCN(C2CC2)c2cc(F)ccc21 1205460642 SUUIVKJNLUSEIW-CYBMUJFWSA-N 287.382 3.554 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C\C(=O)c1cccc(O)c1 794934516 SUDRQLSCZBHYNG-SREVYHEPSA-N 296.322 3.603 30 20 CHED C=CC[C@H](CC)NS(=O)(=O)/C=C\c1ccccc1Cl 798467109 LDCHARBLZPXHIA-OEYXZAGESA-N 299.823 3.585 30 20 CHED CSCCON=C(C)c1ccc(Br)cc1 794574579 KLGBOUITGVPWMW-UHFFFAOYSA-N 288.210 3.553 30 20 CHED Cc1ccc(NN=Cc2ccnn2-c2ccc(F)cc2)cc1 794451701 BAXZNABPPYEFIU-UHFFFAOYSA-N 294.333 3.766 30 20 CHED Cc1ccc(C(=O)Oc2ccccc2Cl)cc1C#N 799293236 VMCYAKWIYUVDJB-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C#Cc1ccc(C=NNc2nccc3sccc23)cc1 792629228 HYOXIOMUHRVXDR-UHFFFAOYSA-N 277.352 3.724 30 20 CHED CC(C)CC(=NN[C@@H](C)C(C)(C)C)c1ccccn1 793115986 QOMJUXPCRFZNBP-ZDUSSCGKSA-N 261.413 3.856 30 20 CHED N#Cc1cc(=NC[C@H]2CCCC[C@H]2c2ccccc2)cc[nH]1 1163305177 IGCVJWXELPEYIQ-APWZRJJASA-N 291.398 3.761 30 20 CHED C=CCN(CC(=O)Nc1c(Cl)cccc1Cl)C1CC1 271340845 CATAVTIYSRFEOR-UHFFFAOYSA-N 299.201 3.582 30 20 CHED CC#CCCN1C[C@H]2CCCC[C@@]21c1ccccc1 1320251855 WQGFXHQIJJOJOS-QZTJIDSGSA-N 253.389 3.801 30 20 CHED C=CCCCC[C@H](C)Nc1ccccc1CC(=O)NC 1327938732 IGAYCCNZUWBGPH-AWEZNQCLSA-N 274.408 3.522 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Br)cc1 398292698 ZYPRLUJIVUSYGY-NSHDSACASA-N 296.208 3.924 30 20 CHED Cc1ccc(C[C@@H](C#N)c2ccc([N+](=O)[O-])cc2)cc1 57723268 GCMYHJAWYAWGJU-HNNXBMFYSA-N 266.300 3.753 30 20 CHED CCCCOc1cccc(CNc2cccc(CC#N)n2)c1 1320489487 GAICGTRSXQWHTD-UHFFFAOYSA-N 295.386 3.939 30 20 CHED COCCCON=Cc1ccc(-c2ccccc2)s1 1322414570 GMKNJSUTRRAJFQ-UHFFFAOYSA-N 275.373 3.802 30 20 CHED CC(C)(CCNC(=O)c1csc(C#N)c1)c1ccccc1 1324369294 KISWAXBQCBQCTF-UHFFFAOYSA-N 298.411 3.717 30 20 CHED CC[C@@H](Nc1cc(C#N)nc(C)n1)c1ccc(Cl)cc1 1184720871 YRDMNQXZUMWHMU-CQSZACIVSA-N 286.766 3.873 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccsc1 61361023 LMSKUWGYJABYGG-ZDUSSCGKSA-N 271.385 3.611 30 20 CHED CCc1ccccc1COc1ccc(C#N)cc1F 1188960347 CNDZDCQZKFFAFK-UHFFFAOYSA-N 255.292 3.839 30 20 CHED Cc1ccc(C)c(CSc2cccnc2C#N)c1 1189339147 UZSJSJQDQGNADX-UHFFFAOYSA-N 254.358 3.862 30 20 CHED N#Cc1c(F)cccc1CN[C@H]1C[C@H](c2ccc(F)cc2)C1 1181934800 VROARSOLDSCWII-KOMQPUFPSA-N 298.336 3.872 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(C(F)F)cc2)c1 726501104 CZUSRTXOEKLHMO-UHFFFAOYSA-N 271.266 3.858 30 20 CHED C#CCOc1cccc(NC(=O)c2sccc2CC)c1 730979387 VUFXGHKPXUBPOI-UHFFFAOYSA-N 285.368 3.575 30 20 CHED CC(C)CN(CCC#N)Cc1cnc(C(C)C)s1 768155237 XDJUCZQHOVQORV-UHFFFAOYSA-N 265.426 3.638 30 20 CHED CC(C)[C@@H]1CCC[C@H]1Nc1cccc(OCC#N)c1 768519875 ZVBWZDZYDPLAOR-JKSUJKDBSA-N 258.365 3.826 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@]23CCC[C@@H]2C3)s1 1345913168 NUASYHSDBJVFFV-GLKRBJQHSA-N 288.416 3.807 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(CC(C)C)s1 1341176599 YGXIJVUBMYUAEZ-LBPRGKRZSA-N 278.421 3.568 30 20 CHED CCC[C@@H](C)CC(=O)Nc1ccc(Cl)cc1C#N 1279077485 LXKZTXHWNCLTOZ-SNVBAGLBSA-N 264.756 3.976 30 20 CHED C=C(CC)C(=O)N[C@H](c1nc2ccccc2[nH]1)[C@H](C)CC 1350909040 VBHXYCRLNLELJF-ABAIWWIYSA-N 285.391 3.733 30 20 CHED C=C(CC)C(=O)Nc1ccc(COC(C)(C)C)cc1 1519784204 MHYSQXBATXWSHJ-UHFFFAOYSA-N 261.365 3.906 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)C1CCCCCC1 1515020744 XSUIVUOHEXMKDU-NSHDSACASA-N 276.405 3.708 30 20 CHED CC[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(F)cc1 1458216142 YYHFCPRBEZKKFP-QGZVFWFLSA-N 296.345 3.507 30 20 CHED CC(C)CN(Cc1ccc(C#N)s1)c1cccc(O)c1 1459561908 RBCBZKRFIDUSHJ-UHFFFAOYSA-N 286.400 3.988 30 20 CHED C=C[C@H](C(=O)NC[C@@H]1CCCC1(F)F)c1ccccc1 1521646643 QVOATPSVDOWPJS-KBPBESRZSA-N 279.330 3.508 30 20 CHED C[C@H]1CC(C(=O)N2CCCc3cc(C#N)ccc32)C[C@H](C)C1 1526493686 NJPDUPWTSGQQDO-ZIAGYGMSSA-N 296.414 3.910 30 20 CHED N#Cc1cc(N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)ccn1 1458370309 QVMYUAYBNSYUJO-GUDVDZBRSA-N 289.382 3.726 30 20 CHED C=CC[C@@H](SCc1ccc(Cl)cc1)C(=O)O 1602848471 BZXGPUFIKLBSTK-LLVKDONJSA-N 256.754 3.603 30 20 CHED N#C[C@H](c1ccccc1)N1CCCc2ccccc2CC1 1617969669 ZOMJFHRWHFTMAZ-LJQANCHMSA-N 276.383 3.742 30 20 CHED Cc1nc(NCC2(c3ccccc3)CCC2)ccc1C#N 1611764735 ULMXNIKFKQRPRX-UHFFFAOYSA-N 277.371 3.796 30 20 CHED C[C@@H]1CN(CCc2ccc(C#N)cc2)c2cccc(F)c2O1 1559761124 JGHKEJZUBQHOGY-CYBMUJFWSA-N 296.345 3.527 30 20 CHED N#Cc1ccc(CSc2nc3cnccc3s2)s1 1559439829 VIPRTKPGOPEYAA-UHFFFAOYSA-N 289.410 3.917 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)N=c1cc[nH]c(C#N)c1 1559087216 DVOGCGQHGOOZNL-CQSZACIVSA-N 279.387 3.543 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@@H](F)CC2CCCCC2)c1 1624291879 VSUKPCJIDXAGTH-HNNXBMFYSA-N 292.329 3.944 30 20 CHED CC[C@@H](C)[C@H](Sc1ccc(C#N)cc1Cl)C(=O)OC 1640999120 OOZKGZZAEPGHMT-RNCFNFMXSA-N 297.807 3.891 30 20 CHED CC1CC(COc2cc(C#N)ccc2Br)C1 1652149856 RBEFDDKQVODHSP-UHFFFAOYSA-N 280.165 3.746 30 20 CHED CC(C)[C@@H]1/C(=C/c2c[nH]c(C(=O)O)c2)C(=O)c2ccccc21 1591067604 GGVWNNMLRVDAIP-VFXTVZEFSA-N 295.338 3.732 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccccc2)cc1C(=O)O 1776114499 RFMCEDKXOMHCIT-KTKRTIGZSA-N 266.296 3.589 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)Nc1sccc1C#N 1671449202 BIYDXEZIJZQMOZ-VXGBXAGGSA-N 299.399 3.933 30 20 CHED Cc1ccsc1/C=C1\C[C@H](C(=O)O)c2ccccc2C1=O 1777477367 BSMIVXOWUOJRIK-MARXPDLDSA-N 298.363 3.895 30 20 CHED O=C(O)c1cccc(C=NNc2cccc3c2CCCC3)c1 1776036543 WRDDWRGBRJDZET-UHFFFAOYSA-N 294.354 3.710 30 20 CHED CC(C)CC[C@H]1CCCC1=NNc1ccc(C(=O)O)nc1 1776069554 QDNZKLOFURDNSS-GFCCVEGCSA-N 289.379 3.784 30 20 CHED COc1ccc(O)c(/C=N/CC2(c3ccccc3)CCC2)c1 11121561 LSGHYWCWPRRYBL-DEDYPNTBSA-N 295.382 3.942 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 150890660 MPQSRQXKZGBOAS-CQSZACIVSA-N 290.432 3.787 30 20 CHED CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cn1 161061953 IROXQGFQDCQPNP-ZDUSSCGKSA-N 293.370 3.568 30 20 CHED N#CCC[C@@H](C#N)CSc1ccc(C#N)cc1Cl 162460397 MRCYZJXGKSBHCG-NSHDSACASA-N 275.764 3.747 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)c1cccc(C#N)c1 162991128 POWPFQVKXINNBA-CABCVRRESA-N 296.395 3.695 30 20 CHED C=CCN(CCCCn1ccnc1C)Cc1cccs1 163407493 SUABCLVQAPPTLS-UHFFFAOYSA-N 289.448 3.721 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(C#N)cc1 153289605 KPQJMDQERSTOCX-UHFFFAOYSA-N 271.364 3.768 30 20 CHED Cc1cc(OCCc2ccccc2F)ccc1C#N 1643894971 YPYZAQFCHFBOAS-UHFFFAOYSA-N 255.292 3.627 30 20 CHED CC#CCCSCc1noc(C2CCCCC2)n1 154974081 ZDUUBOZJWIUBPK-UHFFFAOYSA-N 264.394 3.764 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cc(OC)ccc1O 182424764 IZIGPMAIGPEWDF-STQMWFEESA-N 263.381 3.796 30 20 CHED N#Cc1ccc(N[C@@H]2CCCSC2)c(C(F)(F)F)c1 61575638 GZNJFCOBTUUBJI-SNVBAGLBSA-N 286.322 3.885 30 20 CHED CCCCCCCCCN1CCC(F)(F)[C@@H](CO)C1 404049390 QSZVOZDFKFCHBC-CQSZACIVSA-N 277.399 3.687 30 20 CHED Cc1nc(Oc2ccc(F)c(F)c2)c(Cl)cc1C#N 311753078 VEJIDODFVWVSPD-UHFFFAOYSA-N 280.661 3.986 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1NCCc1cccc(C#N)c1 466423151 BYEORDFTJAWHHT-CZUORRHYSA-N 256.393 3.515 30 20 CHED CC1(C)CCC[C@@H](Nc2cccc(OCC#N)c2)C1 79975458 RZNAKCDHIVBLIZ-CQSZACIVSA-N 258.365 3.970 30 20 CHED Cc1ccc(C(=O)N2CCC(CCC#N)CC2)cc1Cl 335385174 QZOFTPMICWSMLN-UHFFFAOYSA-N 290.794 3.804 30 20 CHED Cc1nc(NC[C@@H]2CCCC2(F)F)c(Cl)cc1C#N 390889875 NMQZLIUJHPDFBH-JTQLQIEISA-N 285.725 3.762 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 397583806 IHHZDUAZJRJVLW-LBPRGKRZSA-N 284.384 3.667 30 20 CHED C[C@H](Cc1cccs1)N(C)Cc1ccc(CC#N)cc1 399114234 FMXHWTYAGFKRJY-CQSZACIVSA-N 284.428 3.877 30 20 CHED C#C[C@@H](C)N(C)Cc1cc(Br)ccc1Cl 769960338 BIAWVDUCNGGVFT-SECBINFHSA-N 286.600 3.556 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(C#N)c1 246112290 DZQCGBDSELWNAS-XOKHGSTOSA-N 254.377 3.711 30 20 CHED CC(C)(C#N)CCCNC(C)(C)COCc1ccccc1 281376327 MAFLPZABOUHJMJ-UHFFFAOYSA-N 288.435 3.901 30 20 CHED CCCCCCCCC(=O)N(CC)C[C@H](C)C#N 108912978 NZGIOTYODHQPBN-CQSZACIVSA-N 252.402 3.745 30 20 CHED CCCCCCCNC(=O)/C=C/c1cccs1 100088607 KDNMZNFMQWJZCY-MDZDMXLPSA-N 251.395 3.848 30 20 CHED CCCCCCCC(=O)Nc1n[nH]c(CC)c1C 109895049 XCQVLXZJRZADPC-UHFFFAOYSA-N 251.374 3.580 30 20 CHED C=CC[C@H](C)NC(=O)C(C)(C)Oc1cccc(Cl)c1 116862513 PEBNMIDWBVIBBF-NSHDSACASA-N 281.783 3.578 30 20 CHED CCn1nc(C)c(/C=C2\Cc3ccc(C)cc3C2=O)c1C 108145121 YOZRQGQPZDUWFH-XNTDXEJSSA-N 280.371 3.651 30 20 CHED CC[C@@H](CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 103433507 YGNBGCJBSXSQNH-YOEHRIQHSA-N 272.392 3.625 30 20 CHED C#CCCCCC(=O)N[C@H]1CCCc2ccc(C)cc21 179997799 CAZXYUBSYPUEBT-KRWDZBQOSA-N 269.388 3.682 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(Cl)o1 104544756 JGUPBFPRNFFVSY-UHFFFAOYSA-N 282.771 3.725 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1 27539722 BBVNBTBGPPVBOV-FQEVSTJZSA-N 299.377 3.832 30 20 CHED Cc1ccc(OCCCCNCc2cccc(C#N)c2)cc1 61113094 VWAJCHFVBKUYCO-UHFFFAOYSA-N 294.398 3.816 30 20 CHED C#CCCCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 119877507 RJCJBFNPBRZRGE-HOCLYGCPSA-N 287.378 3.724 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc(Oc2cccnc2)cc1 176790149 LKOVURJNYMFFQG-MRXNPFEDSA-N 296.326 3.579 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cnn(C(C)C)c1 171981741 SPSYSGLPORMKTL-VOTSOKGWSA-N 284.359 3.677 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](CC1CCCC1)C(C)C 116175764 HSORWTCYAYBSPZ-ZBFHGGJFSA-N 278.440 3.847 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)cc2F)C1 116812096 KJBTYWHVSPCLBF-BMIGLBTASA-N 294.757 3.681 30 20 CHED CN(c1ccc2cc(C#N)ccc2n1)C1CCCCC1 301824063 NQJZBTJHKUNPJM-UHFFFAOYSA-N 265.360 3.875 30 20 CHED Cc1ccc(C#N)cc1NCc1cn2cc(Cl)ccc2n1 63889529 HZVLPMOUPAMLBR-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1ccccc1C#N 114221035 QHODUYJECLKSHZ-GFCCVEGCSA-N 256.349 3.713 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCSc2c(F)cccc21 116946539 WALHBKAIGYHLFU-GWCFXTLKSA-N 294.395 3.626 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C(C)(C)CC(C)C 177180700 NNYSSJMHFCSORT-UHFFFAOYSA-N 288.391 3.968 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1 110577817 RLLBEVSCFJSNOV-ZWKOTPCHSA-N 290.366 3.624 30 20 CHED Cc1ccc(N/C(N)=N/CCc2c(C)cccc2C)cc1 305087768 VDGFTQGFTHZXBN-UHFFFAOYSA-N 281.403 3.581 30 20 CHED C=C[C@@H](CC(=O)NCc1ccc(O)c(F)c1)c1ccccc1 179361326 GAXHDAKVPNJGHI-AWEZNQCLSA-N 299.345 3.507 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(OC)c(Br)c1 119309519 SHPLKLOSZRPFGQ-UWVGGRQHSA-N 284.197 3.683 30 20 CHED Cc1ccc(N/C(N)=N/CCSc2ccccc2)cc1C 303770322 BVZWKIMNAIMTAG-UHFFFAOYSA-N 299.443 3.822 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc([N+](=O)[O-])cc1C#N 301372822 UGDLYZDCBGBWOU-TYNCELHUSA-N 285.347 3.624 30 20 CHED COCc1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 175797925 JPGOTKZVAAQGDC-CYBMUJFWSA-N 295.338 3.623 30 20 CHED C=CCN1C(=O)/C(=C\c2c(C)cccc2C)SC1=S 120684190 COQNBNBGPYIPBN-UKTHLTGXSA-N 289.425 3.691 30 20 CHED Cc1ccc(NCc2ccc(C#N)c(C)c2)cc1F 443970888 JLNVWPBMLWNHIZ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 186835815 OCDRCXWPLMBUQR-CZUORRHYSA-N 290.794 3.857 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 128198472 IOYOFWBSNPPTOS-DYVFJYSZSA-N 298.361 3.789 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1C=CCCC1 187235226 MGLWRQSKBCKCCA-HNNXBMFYSA-N 285.362 3.534 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(c2cccc(C#N)n2)C2CC2)o1 301498866 CQEAQDXOHRXMKB-WBMJQRKESA-N 293.370 3.839 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CC12CC3CC(CC(C3)C1)C2 120661837 JYERVMZWFZNYGY-UUMMVJRDSA-N 288.435 3.647 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cc(-c3ccccc3)on2)C1 185806887 LDYXSIZOXCIDBG-DZGCQCFKSA-N 281.359 3.514 30 20 CHED COc1cc(C)c(NCCCC(C)(C)C#N)cc1F 184574790 JOUZVKJUZSGJPK-UHFFFAOYSA-N 264.344 3.885 30 20 CHED Cc1nc(N(C)[C@@H](C)C2(C)CC2)c(Cl)cc1C#N 360057055 YFZSVJOFCVPVGL-JTQLQIEISA-N 263.772 3.540 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(CC)nc2ccccc12 180474596 PJRSPEOUTHRJCH-CYBMUJFWSA-N 298.386 3.717 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1c(C)[nH]c2ccccc12 503954589 ZFMUHFFJPRDBQB-AWEZNQCLSA-N 299.418 3.673 30 20 CHED CSc1ccc(CN(CCC#N)Cc2cccnc2)cc1 125250450 VGNDWVBQKBDGDH-UHFFFAOYSA-N 297.427 3.719 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC=CCC1 77639859 KKMJZFOGTZRBSD-QGZVFWFLSA-N 297.402 3.587 30 20 CHED CCC1(CNC(=O)NCC(C)(C)CCC#N)CCCCC1 501941973 DJKZCRRMSFFNPW-UHFFFAOYSA-N 293.455 3.976 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](CC)c1nc(C)cs1 188558623 ONOXSSIVQUPBFQ-SMDDNHRTSA-N 266.410 3.621 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 411053308 DBFGVWRTCSHAGY-KGLIPLIRSA-N 284.359 3.526 30 20 CHED C=C(C)[C@@H](NC(=O)C1=CCCC1)c1ccc(F)c(F)c1 184851680 QRBMZJGCHKSVBW-OAHLLOKOSA-N 277.314 3.809 30 20 CHED C[C@@H]1O[C@H](C)C[C@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 413530479 JZUYRTWVNWSDEK-SCVCMEIPSA-N 298.308 3.802 30 20 CHED CCOc1cc(C)ccc1NCc1ccc(OC)c(C#N)c1 124988278 RQUAORNRUJPSGP-UHFFFAOYSA-N 296.370 3.886 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(CC#N)cc2)C1 77672608 DZGYVMBGKWJFHF-BBRMVZONSA-N 285.391 3.843 30 20 CHED N#Cc1ccc(OCc2cnc3ccccc3c2)cc1F 313459255 USRURDIYOGFDDX-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C[C@@H](NCCCC#N)c1ccc(OCC(F)(F)F)cc1 180974298 FWBOCBWVJFQFDB-LLVKDONJSA-N 286.297 3.582 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1c(C)cnn1-c1ccccc1 185998903 DCEQMFKNKXILJE-ZDUSSCGKSA-N 283.375 3.722 30 20 CHED N#Cc1ccccc1/C=C1\Cc2cc(F)ccc2C1=O 121219413 LLAJYKFJTLNIKM-VGOFMYFVSA-N 263.271 3.520 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)C[C@@H]1C 413834526 MIEOEOQCVYOOJQ-HLLBOEOZSA-N 286.419 3.614 30 20 CHED Cc1cc(Cl)cc(C)c1CN(CCC#N)CCC#N 180040417 GHLFFRPHCWFZHV-UHFFFAOYSA-N 275.783 3.586 30 20 CHED Cc1ccc(-c2nc(CSCCC#N)cs2)o1 413016218 VSRMZPQTPYKVJA-UHFFFAOYSA-N 264.375 3.858 30 20 CHED C#CCOc1ccccc1CN[C@@H](c1ccccc1)C1CC1 315368984 CMRBQEKKZKFURQ-FQEVSTJZSA-N 291.394 3.940 30 20 CHED C=CC[C@@H](CC)NC(=O)CSc1ccccc1Cl 410129621 GBOSXWMKMLVJFO-LLVKDONJSA-N 283.824 3.903 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N(CC)c1ccc(C#N)cc1 410520845 AVZRFEROJHWFLK-GFCCVEGCSA-N 298.308 3.890 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CCC)c1ccccc1 78318923 VSFFXEILAIHSAY-MRXNPFEDSA-N 272.392 3.911 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl 506850168 WVKSWFPIDVUUBB-DGCLKSJQSA-N 290.794 3.768 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Br)ccc1O 189033585 MEUCNJHVUKHRMU-ZDUSSCGKSA-N 298.180 3.696 30 20 CHED CN(CCCOc1ccccc1)Cc1cc(C#N)ccc1F 48056290 FWOSRYQWPNAIBO-UHFFFAOYSA-N 298.361 3.598 30 20 CHED Cc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1 72659750 MRTKWAAWORMHFS-UHFFFAOYSA-N 293.414 3.635 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2cccc(F)c2)s1 79262828 GWYBSTBGYCMTGI-UHFFFAOYSA-N 288.347 3.502 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1noc(-c2ccccc2)n1 187781903 FRTBLHXQNUTEPU-CYBMUJFWSA-N 298.342 3.534 30 20 CHED C=CCN(CC=C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl 411165974 RCLMDBOGTDFUEJ-CYBMUJFWSA-N 292.810 3.649 30 20 CHED C[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 416113093 WLWJPZOXZLCOIX-MLGOLLRUSA-N 284.403 3.734 30 20 CHED CC[C@H](C#N)OC(=O)C1CCC(c2ccccc2)CC1 84712172 ZWWJDHXNGBYYOF-UYSNPLJNSA-N 271.360 3.806 30 20 CHED CCCC/C(N)=N/OCc1csc(-c2cccs2)n1 49066168 OAWBRWHVZXKWGN-UHFFFAOYSA-N 295.433 3.851 30 20 CHED CCCC[C@@H](C)N(C)c1nccc(C#N)c1Cl 379956131 BKDHMKZIZAFSSA-SNVBAGLBSA-N 251.761 3.622 30 20 CHED N#Cc1ccc(CNCCc2ccc(Cl)cc2)s1 135666725 IIAMQGABFQNVJW-UHFFFAOYSA-N 276.792 3.605 30 20 CHED Cc1nnc(N=C(O)CCC2CCCCC2)n1C1CC1 329097500 YOCRJRHISLXFHB-UHFFFAOYSA-N 276.384 3.870 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)c2ccccc2S1 88224437 LIEVHPLMZKUUFI-GFCCVEGCSA-N 294.379 3.699 30 20 CHED C=C(C)CCc1noc([C@@H](C)Oc2cccc(F)c2)n1 508598872 JLYULHYBDQTBTF-LLVKDONJSA-N 276.311 3.857 30 20 CHED COc1cccc(CSCc2cccc(F)c2C#N)n1 427856525 GGHMIXWILUKUKJ-UHFFFAOYSA-N 288.347 3.534 30 20 CHED CC1CCC(N(C(=O)c2cc(C#N)cs2)C2CC2)CC1 84075960 IHHGADNQWFYYHH-UHFFFAOYSA-N 288.416 3.803 30 20 CHED C=CCC1(C(=O)Nc2nc3ccccc3s2)CCC1 191330029 KIMYNVFGKMCSBQ-UHFFFAOYSA-N 272.373 3.981 30 20 CHED C=CCOCC(=O)N(CCC)[C@H](CC)c1ccccc1 517814472 ALBSXEGEEXNYGC-MRXNPFEDSA-N 275.392 3.579 30 20 CHED N#Cc1ccc(CSC2(CO)CCCCC2)s1 514798133 IZJHEISOCPVRJU-UHFFFAOYSA-N 267.419 3.548 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(OCCC)cc1C 191743225 VOABXHMZGWWFAH-UHFFFAOYSA-N 290.407 3.501 30 20 CHED C[C@H](/N=C(/O)[C@H]1CCC(=O)c2cccn21)C1CCCCC1 329864350 SNMLKVSINMSCCX-SWLSCSKDSA-N 288.391 3.931 30 20 CHED Cc1noc(C2CC2)c1N=C(O)Cc1ccc2c(c1)CCO2 329824520 QRXMYTYHQUXRTN-UHFFFAOYSA-N 298.342 3.626 30 20 CHED Cc1cccc([C@H](C)C(=O)N2CCc3c(C#N)cccc32)c1 421651075 IZTXVRSBYIQABV-AWEZNQCLSA-N 290.366 3.560 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 192383171 QYOGMVNGIPIUIZ-IBGZPJMESA-N 295.357 3.835 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCC1(C)C 425126887 IILWWCZZBXFPOX-BBRMVZONSA-N 284.403 3.904 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)c2ccccc21 334225026 DJUKUBJVGCEZKU-AWEZNQCLSA-N 290.366 3.907 30 20 CHED C=CCCOCC(=O)N1CCC[C@@H]1CC1CCCCC1 145835138 KMGQXGVXHVOPDW-MRXNPFEDSA-N 279.424 3.541 30 20 CHED N#Cc1ccn(Cc2csc(-c3ccc(F)cc3)n2)c1 339193630 ZMNLVJOVSCLTEY-UHFFFAOYSA-N 283.331 3.671 30 20 CHED C=CCC1(C(=O)NCC2(c3ccccc3)CC2)CCC1 191613824 CIEVFPXFFNNWKV-UHFFFAOYSA-N 269.388 3.581 30 20 CHED C=C(C)COCCN[C@H](C)c1cc(C)sc1C 90450760 NVRTXKPTRLEJEQ-GFCCVEGCSA-N 253.411 3.608 30 20 CHED CC(C)[C@@H](CNc1ccc(C#N)nc1)Nc1ccccc1 91425614 IFOXBLUTYZMIAD-QGZVFWFLSA-N 280.375 3.502 30 20 CHED C[C@H](/C(O)=N/C12CC3CC(CC(C3)C1)C2)c1cncnc1 330276249 MPUNLSOLRLTVTO-GVMDUPDNSA-N 285.391 3.505 30 20 CHED N#CCCCOc1cccc(CNCc2ccccc2F)c1 237828781 HHXAAYYUFWFPKZ-UHFFFAOYSA-N 298.361 3.798 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1CC(C)C 432263205 GGUCLROWOKKFBD-OAHLLOKOSA-N 285.391 3.909 30 20 CHED CS[C@@H]1CCC[C@H](Nc2nccc(C#N)c2Cl)C1 235251800 ILXQVRWNKGSCFF-WDEREUQCSA-N 281.812 3.693 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C)nc2C2CC2)c1 335101398 XQDYVCBHFDPJRX-UHFFFAOYSA-N 291.354 3.700 30 20 CHED CC(C)(C#N)CNc1ncc(C(F)(F)F)cc1Cl 338485297 QOIMOMNMQQHRDR-UHFFFAOYSA-N 277.677 3.715 30 20 CHED C[C@@H]1CCN(Cc2cc(C#N)ccc2F)CC1(C)C 544784561 CSKOFNMVAYNVLL-GFCCVEGCSA-N 260.356 3.565 30 20 CHED C=CCCC(=O)NCCc1cccc(Cl)c1Cl 523272196 JWXUZHAEMRDSNO-UHFFFAOYSA-N 272.175 3.618 30 20 CHED COc1cc(NC(=O)c2ccc(F)c(C#N)c2)c(C)cc1C 341667710 KLWDRVXBAHKKKP-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc(F)c(C)c1 432078867 MFRKUXLQKHMUBC-UHFFFAOYSA-N 278.371 3.536 30 20 CHED N#CC1(CN2CCC[C@@H]2c2ccc(Cl)cc2)CC1 343241201 XYJZLQDHJNQSGN-CQSZACIVSA-N 260.768 3.781 30 20 CHED CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccn(C)n1 349777061 NXWWSNMUFGJCLL-MRXNPFEDSA-N 298.390 3.666 30 20 CHED C[C@H](CCC#N)CNCC1(N(C)Cc2ccccc2)CCC1 602674017 DDHHIRLPJULLTH-QGZVFWFLSA-N 299.462 3.571 30 20 CHED Cc1ccc(C[S@@](=O)CCCC(C)(C)C#N)cc1F 600926891 OGZLFTWZFGFRJD-IBGZPJMESA-N 281.396 3.713 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC[C@@H]1CC[C@@H](C)O1 439260946 RHCWPTUEFLIOKU-WBVHZDCISA-N 293.451 3.929 30 20 CHED C=CCC[C@H](NCCc1c(F)cccc1F)C1CC1 439079024 SIKCHPHJBOFAPS-INIZCTEOSA-N 265.347 3.842 30 20 CHED CCc1nc(NCC(C)(C)CCC#N)c2ccsc2n1 340940247 SIIKWQIVXMSSCC-UHFFFAOYSA-N 288.420 3.996 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(CSCC)ccn1 344364904 WWHYXFHWSJJSDJ-UHFFFAOYSA-N 278.421 3.876 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1cc(C#N)cn1C(C)(C)C 346910590 FRMVGCRYQVXRKC-JSGCOSHPSA-N 287.407 3.880 30 20 CHED C[C@@H](CC#N)NCCCOc1cccc2ccccc12 609449213 HKACJIQVMJTCPZ-AWEZNQCLSA-N 268.360 3.500 30 20 CHED N#CCN(C(=O)C1C[C@H]2CCC[C@H](C1)C2)c1ccccc1 435745732 PVRIBABKWUDYEX-GJZGRUSLSA-N 282.387 3.760 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1nc(C)cs1)c1ccccc1 255695156 HVWRBQZTGHAOGG-KOTGUFOOSA-N 282.368 3.731 30 20 CHED C=CC1CCN(c2nc(-c3ccccn3)nc(C)c2C)CC1 347289789 AYHFQBNKBOZATE-UHFFFAOYSA-N 294.402 3.558 30 20 CHED CC[C@@H](CC#N)NCc1ccc(F)c2ccccc12 602610646 HXAXGYLZHOAOCM-ZDUSSCGKSA-N 256.324 3.761 30 20 CHED Cc1cc(N2CCC[C@@H]2c2ccccc2)cc(C#N)n1 341416362 BMAAMWBHUDBDEX-QGZVFWFLSA-N 263.344 3.603 30 20 CHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccc(O)c(F)c1 255564049 ZXUVSJUVXWTYLY-RJRFIUFISA-N 292.693 3.786 30 20 CHED COc1cccc(C[C@@H](NCCCC#N)c2ccccc2)c1 342273109 URSIROAJCLCMNR-LJQANCHMSA-N 294.398 3.872 30 20 CHED CC(C)CC[C@@H](NC(=O)c1ccc(C#N)cn1)C(C)(C)C 522342977 YCMDHVXVMDVXDZ-OAHLLOKOSA-N 287.407 3.534 30 20 CHED Cn1cc(C(=O)/C=C\c2c(Cl)cccc2Cl)cn1 255693350 GROHJGMVEHECIE-WAYWQWQTSA-N 281.142 3.623 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(C#N)s2)c1 255906142 FNBWYAPSGBFKFS-FPLPWBNLSA-N 253.326 3.824 30 20 CHED Cc1csc(CCCCNC2CCC(C)(C#N)CC2)n1 449114453 CTERWZWDBDSIRE-UHFFFAOYSA-N 291.464 3.836 30 20 CHED CCN(CCC#N)Cc1cc(Cl)sc1Cl 449007723 BAHWMMMISGOLGN-UHFFFAOYSA-N 263.193 3.790 30 20 CHED C[C@H](CCC#N)CN[C@]1(C)CCCc2ccccc21 602547938 VBHYIPSXYBECFL-RHSMWYFYSA-N 256.393 3.768 30 20 CHED N#CCCCOc1cccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 603972129 YZTVARPKFFCWLB-ZQIUZPCESA-N 298.386 3.744 30 20 CHED CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@H]1CC[C@H](C#N)C1 442871358 LKUYZRHSMCZQDI-APYUEPQZSA-N 292.810 3.698 30 20 CHED CCCn1ccc2ccc(NC(=O)[C@]3(C#N)C[C@H]3C)cc21 449932413 TYQZIZKAOAQQKX-PXAZEXFGSA-N 281.359 3.540 30 20 CHED C=C(CC)CN1CC=C(c2ccc3c(c2)OCCO3)CC1 358736159 KWHYKMVVLCIVNO-UHFFFAOYSA-N 285.387 3.513 30 20 CHED C=CCCCC[C@H](C)NC[C@@]1(C)CCO[C@@H]1C1CC1 449254525 YLYWITAHAAONRH-USXIJHARSA-N 265.441 3.916 30 20 CHED CCCCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cn1 446803219 JWZAVCMDJCIVOV-ZIAGYGMSSA-N 273.380 3.755 30 20 CHED CCN(Cc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C 444658201 MWUMERWCFMTCJP-PBHICJAKSA-N 256.393 3.959 30 20 CHED Cc1cc(Cl)cc(CN(CCC#N)Cc2cccnc2)c1 350176649 NLTMNPBAIJLWGC-UHFFFAOYSA-N 299.805 3.959 30 20 CHED C=CCCC(=O)N[C@H]1CCCC[C@@H]1Oc1ccccc1C 448194079 QONNRSATHRDVEN-RDJZCZTQSA-N 287.403 3.767 30 20 CHED COc1ccccc1[C@@H]1CC[C@@H](C)CN1CC1(C#N)CC1 352246184 NGDKTWIQGPFHFQ-ZBFHGGJFSA-N 284.403 3.772 30 20 CHED C=CC[C@H]1N(C(=O)NCC2CCC2)CCCC1(C)C 444991081 SBTGPILOOJDOOX-CQSZACIVSA-N 264.413 3.563 30 20 CHED C=CCC[C@H](Nc1cccc(C(=O)NCCC)c1)C1CC1 537534889 REHSVDBTEQLDQA-KRWDZBQOSA-N 286.419 3.983 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1nc(C2CCC2)cs1 442067718 ANSJCVPJYBZEIZ-GFCCVEGCSA-N 291.420 3.983 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(-c2ccco2)nc1C 352494696 DYKXLVOQYODPGN-UHFFFAOYSA-N 298.386 3.982 30 20 CHED C=C[C@@H](CC(=O)N(CCCC)CCOC)c1ccccc1 534679293 PXAFHOPVIBUYDJ-INIZCTEOSA-N 289.419 3.621 30 20 CHED CCOc1cccc(CNCc2ccc(C#N)c(C)c2)c1 443983111 QPYJDDDVYKRNLW-UHFFFAOYSA-N 280.371 3.555 30 20 CHED CC(C)c1cnc(CNc2cccc(CC#N)c2)s1 449704880 WOGLCYRNMHMPNF-UHFFFAOYSA-N 271.389 3.945 30 20 CHED CCc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1C 354942202 LTAMTOBFVPKUJV-UHFFFAOYSA-N 285.391 3.715 30 20 CHED C[C@]1(C#N)CCCN([C@@H]2CCCc3ccccc32)C1 612166519 XCUZOGUDLOZZMQ-IAGOWNOFSA-N 254.377 3.690 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@](C)(C#N)C1 612250436 HQDURSRGFRVTBL-MAUKXSAKSA-N 284.403 3.641 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1ccc(C)c(C)c1 538337719 QXNKSLDNDUHELV-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(F)ccc2O)CCCC1(C)C 444630944 JIINBYWDQDTWHW-OAHLLOKOSA-N 291.366 3.738 30 20 CHED CCSc1cccc(NC(=O)N(CC)CCC#N)c1 267427735 BLZYAIJJCYLVQQ-UHFFFAOYSA-N 277.393 3.566 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)c1cccc(C)c1C 351079063 ZWLDEMHRDDRORY-UHFFFAOYSA-N 282.391 3.726 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)CCc1ccccc1 539602225 CMKXKAVKHOXZJA-ZBFHGGJFSA-N 274.408 3.662 30 20 CHED C[C@@H](NC(=O)Nc1ccc(F)cc1)c1cccc(C#N)c1 610316999 UXPQPPFXEYYMBY-LLVKDONJSA-N 283.306 3.580 30 20 CHED N#C[C@@H]1CC[C@@H](NCCOc2ccc(Cl)c(Cl)c2)C1 449405907 PKTUNVAIGWGFPX-GHMZBOCLSA-N 299.201 3.654 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1ccc(CC#N)cc1 533885881 UQUOOUXTWLECAH-AWEZNQCLSA-N 272.392 3.697 30 20 CHED CC(C)CSCCCNC1CCC(C)(C#N)CC1 449216231 QPYUKQMSNKTENU-UHFFFAOYSA-N 268.470 3.828 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCO[C@@H](c2ccccn2)C1 449616855 SAIDBLKXBSSQTA-BFYDXBDKSA-N 274.408 3.636 30 20 CHED C=CCCCCCOc1ccc(Cl)cc1C(N)=O 447299031 NECPTRJIUPHCFQ-UHFFFAOYSA-N 267.756 3.564 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3oc(C)nc3c2)C1 617780428 VLPGYUIBMHAVQG-CYBMUJFWSA-N 284.359 3.565 30 20 CHED C=CCC[C@@H](NCCC(=O)OC(C)(C)C)c1ccco1 353519946 NZPBRARYKFVGPX-CYBMUJFWSA-N 279.380 3.608 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 357147962 GHXDLAUQTMOONP-QWRGUYRKSA-N 275.314 3.532 30 20 CHED CC(C)(CCC#N)CN1CCC[C@@H]1c1ccc(O)cc1 611265417 LBLFPQTXDZDMBM-MRXNPFEDSA-N 272.392 3.859 30 20 CHED Cc1cc(C#N)ccc1Oc1ncnc2cc(F)c(F)cc12 610278123 WTWHNNAUANFRAY-UHFFFAOYSA-N 297.264 3.880 30 20 CHED C=C(CNC(=O)C[C@@H](OCC)C1=CCCC1)c1ccccc1 360207292 GGMNSVGSEYMIES-GOSISDBHSA-N 299.414 3.722 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)[C@@H]1CCCC[C@@H]1C)OCC 535126682 ZTJUTPCRBSPPCF-XHSDSOJGSA-N 281.440 3.785 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCC[C@@H](OC)C2)CCCCC1 456376022 YUUUPEMWTZSIHQ-HUUCEWRRSA-N 279.424 3.587 30 20 CHED CCC[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C1CCC1 458300611 CFHCAAKZMZFNEW-MSOLQXFVSA-N 298.430 3.844 30 20 CHED N#Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)s1 530672315 YVDNZOXYDAFJSN-CYBMUJFWSA-N 288.397 3.562 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2c(F)cccc21 458806689 CTQCYHDQTUMROZ-UHFFFAOYSA-N 276.355 3.500 30 20 CHED C[C@H](NCc1cc2ccccc2[nH]1)c1cccc(C#N)c1 611438330 VWCFZOGFKRKBJP-ZDUSSCGKSA-N 275.355 3.890 30 20 CHED CC1(C)CCCN(Cc2ccc3ncccc3c2)[C@H]1C#N 277801472 PIYFIZDGOPHUHM-KRWDZBQOSA-N 279.387 3.749 30 20 CHED C=CCC1(CN[C@@H]2CCC[C@@H]2CCOC)CCCC1 453361530 KIADFLRTMXFUPY-HZPDHXFCSA-N 265.441 3.918 30 20 CHED C=CCCCc1nc(-c2ccc(C)c(OC)c2)no1 546278213 NYHZJBMLVWTSMP-UHFFFAOYSA-N 258.321 3.562 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(N(C)C(C)C)c1 454796372 CATYUUMCKRNWST-UHFFFAOYSA-N 275.396 3.619 30 20 CHED C=CCSCCNC(=O)c1cc(Cl)cc(Cl)c1 542817994 AHFYWJBNSSWFJL-UHFFFAOYSA-N 290.215 3.642 30 20 CHED C=C[C@H](C)NC(=O)Nc1ncc(-c2ccccc2)s1 362495931 DLFRXGQZKOYXAW-JTQLQIEISA-N 273.361 3.506 30 20 CHED COc1ccccc1[C@@H]1CCCN1c1nccc(C)c1C#N 368178629 IPZOFLSQLZGFPX-INIZCTEOSA-N 293.370 3.612 30 20 CHED C[C@@H](NC(=O)N(C)CC(C)(C)C#N)[C@H](C)C1CCCCC1 458502881 KAWDIHKSDXCPBM-UONOGXRCSA-N 293.455 3.782 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1CCCC(C)(C)C1 546710663 WGKGCBQFHYJEHX-CYBMUJFWSA-N 286.375 3.722 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(Oc2ccccn2)c1 362670960 YFIOBHFGLKQLDK-GFCCVEGCSA-N 283.331 3.570 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@@H](CCC)OC 452293131 FTMIYIOEBXLDDD-CYBMUJFWSA-N 293.432 3.510 30 20 CHED C=C(CC)CNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 456822475 AZUWMEBJAHPXEU-HZPDHXFCSA-N 257.377 3.653 30 20 CHED CC(C)COc1ccccc1-c1noc([C@@]2(C#N)C[C@@H]2C)n1 453082622 MDPXUGUGDMDIOB-YVEFUNNKSA-N 297.358 3.573 30 20 CHED C[C@@H](CCc1ccco1)N[C@@H](C)c1ccc(OCC#N)cc1 271523811 VJXQJXVPFSKKLR-GJZGRUSLSA-N 298.386 3.854 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1 276031381 DKSOYTLONWNIQW-UHFFFAOYSA-N 286.379 3.657 30 20 CHED C=CCC(CC=C)C(=O)NCCCOc1ccc(C)cc1 467329955 MVZMLKYPHGCZNW-UHFFFAOYSA-N 287.403 3.649 30 20 CHED Cc1ccc(C[S@@](=O)CCCCC(C)(C)C#N)cc1 277800004 HYFXRHLSPCCZKH-IBGZPJMESA-N 277.433 3.964 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 467897978 IBVRLPGECCUTFC-PXAZEXFGSA-N 293.357 3.883 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](C3CC3)C2)cc1 377884588 OXUFLQMEROPGPO-WMLDXEAASA-N 284.403 3.599 30 20 CHED C=C(C)[C@H](Cc1nc(-c2cccc(C)c2)no1)OCC 273708051 KSQAGPRGIZHPGU-AWEZNQCLSA-N 272.348 3.569 30 20 CHED CC1(C)Cc2cccc(/C=C/C(=O)c3cncs3)c2O1 276401058 ULYPBQZFRNTUAE-VOTSOKGWSA-N 285.368 3.753 30 20 CHED N#Cc1cccc(CCN[C@@H]2Cc3ccc(Cl)cc3C2)c1 467461739 YZOMVGAKVBHATG-GOSISDBHSA-N 296.801 3.511 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 467015464 WPNWJPOKFMRQJS-CVEARBPZSA-N 272.392 3.540 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cccc(OCCN(C)C)c1 467412774 UJMCNYBRKWUZSQ-NVXWUHKLSA-N 290.451 3.632 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2cccc(OC(C)C)c2)no1 288978775 RBGZUDCLDNGVLK-INIZCTEOSA-N 285.347 3.715 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(N2CCCC2)c1 282161467 DJTBTPGMFXROLL-YQQAZPJKSA-N 283.419 3.630 30 20 CHED C=CCCOCCN[C@@H]1CCC[C@@H](c2ncccc2C)C1 281502328 GVDHBAAZGKNQCZ-IAGOWNOFSA-N 288.435 3.599 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCCN1C1CC1)c1ccco1 556878362 MOIHNJSQFQVWFS-IRXDYDNUSA-N 288.435 3.893 30 20 CHED CC[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C(C)(C)C 462063677 YDHJFKJCVKOLQJ-SWLSCSKDSA-N 272.392 3.603 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)s1 465110525 IULVDUHOAARWMH-JTQLQIEISA-N 275.348 3.859 30 20 CHED Cc1cc(C(=O)/C=C/c2nccn2CC(F)(F)F)oc1C 281741785 BJPNMAZUJZPYLR-ONEGZZNKSA-N 298.264 3.551 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC(C)CC3)c2c1 461460287 KUCPXJYVSRUQTN-UHFFFAOYSA-N 279.387 3.960 30 20 CHED CCOc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 461741656 FYPIDZVSPZTMHT-CYBMUJFWSA-N 294.354 3.699 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)C1CCC(C)(C)CC1 466384786 VSCQTTKXCQWZMD-CYBMUJFWSA-N 266.429 3.951 30 20 CHED C=CCC[C@@H](Nc1cnn(CC(F)F)c1)c1ccco1 285950772 DWYTWBLBBFQOQU-GFCCVEGCSA-N 281.306 3.861 30 20 CHED N#CCCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 285241261 BSSORSTZTXUFER-ZDUSSCGKSA-N 282.309 3.798 30 20 CHED N#Cc1ccc(N2CCC(NCC3=CCCCC3)CC2)cc1 294692960 BWULWANJUWVTAA-UHFFFAOYSA-N 295.430 3.617 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(F)c(SC)c(F)c1 806409490 YGPZKWPGGYELOL-SECBINFHSA-N 298.358 3.610 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 553362908 RIWBPCZRSDGUNY-AWEZNQCLSA-N 297.402 3.591 30 20 CHED N#C[C@]1(C(=O)Nc2ccsc2Cl)CC12CCCC2 296012375 QOXGWNSAJADJCW-ZDUSSCGKSA-N 280.780 3.814 30 20 CHED C#Cc1cc(F)c(NCCCC2CCOCC2)c(F)c1 802746054 ZTEMCIYMDXYVGF-UHFFFAOYSA-N 279.330 3.565 30 20 CHED C[C@H]1/C(=C\c2cccc(OCC#N)c2)C(=O)c2ccccc21 809155674 CVFAXHZKSIBOAR-RNEAKCBISA-N 289.334 3.972 30 20 CHED C=CC[C@H](C(=O)Nc1cc2c(cn1)CCC2)c1ccccc1 563995854 JXWQESOMCFAQCX-KRWDZBQOSA-N 292.382 3.869 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(C)cc1)C(C)(C)C 808314389 SKHKTTBRTKSXTB-GOEBONIOSA-N 286.419 3.745 30 20 CHED C#Cc1cc(F)c(NCc2cccc(C#N)c2F)c(F)c1 802744997 VYCCQIDSDXVADG-UHFFFAOYSA-N 286.256 3.569 30 20 CHED N#Cc1sc(Nc2ccc3[nH]ccc3c2)nc1Cl 804451773 VPYOKNFHVAKRQR-UHFFFAOYSA-N 274.736 3.893 30 20 CHED N#CCCCCCC(=O)Nc1ccc(SC(F)F)nc1 805192422 FZPQBMXEERDFIW-UHFFFAOYSA-N 299.346 3.809 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Nc1[nH]nc(C2CC2)c1C#N 290334422 FBNQCPFWUVRYPU-JTQLQIEISA-N 288.395 3.560 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnn(CC(C)C)c1CC 644688724 OTNFTMZKFIIVTH-UHFFFAOYSA-N 277.412 3.642 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCS[C@@H]1C 814921838 FSMIUZQJSXGUOB-MRVPVSSYSA-N 284.816 3.547 30 20 CHED C[C@H]1C(=NNc2c(F)cccc2Cl)CC[C@@H]1CC(=O)O 814905567 ZDWNYDUMAQLPQP-RKDXNWHRSA-N 298.745 3.768 30 20 CHED C=CCOCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 815090736 LELFDGPDCSYOAL-AWEZNQCLSA-N 299.336 3.697 30 20 CHED Cc1cccc(F)c1NN=C1CCc2ccc(C#N)cc21 811647456 NNZXZAWGHMXNFM-UHFFFAOYSA-N 279.318 3.768 30 20 CHED CCCCCCCC(=O)NC[C@H](O)c1ccc(Cl)cc1 817090353 DVQWHDAQMBGKER-HNNXBMFYSA-N 297.826 3.850 30 20 CHED N#CCCCC(=O)O[C@@H]1CCc2c(Cl)cccc21 812616011 RCYREVMTSDLXMQ-CYBMUJFWSA-N 263.724 3.564 30 20 CHED Cc1nc(C#N)c(NN=C2CC[C@@H](c3ccccc3)C2)o1 814813445 ZHPGWHIHLMYTEQ-CYBMUJFWSA-N 280.331 3.590 30 20 CHED Cc1cc(NN=C2CC[C@@H](c3ccccc3)C2)nc(C)n1 814807071 DMYQXNGZKQGKEC-OAHLLOKOSA-N 280.375 3.829 30 20 CHED Fc1ccccc1NN=Cc1conc1Cc1ccccc1 814789629 LFVZMTNSILASFQ-UHFFFAOYSA-N 295.317 3.851 30 20 CHED Cc1cc2ncn(Cc3cccc(F)c3C#N)c2cc1C 488261718 KDJOETBDIJHAJC-UHFFFAOYSA-N 279.318 3.712 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](O)c1ccc(Cl)cc1 813884860 MBFSEKZHTZVDLP-YWPYICTPSA-N 267.800 3.564 30 20 CHED COc1ccccc1C=NOCC[C@H]1CC1(Cl)Cl 818074383 QVTNSTQIJLBIRZ-NSHDSACASA-N 288.174 3.630 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@@](C)(F)C1)c1ccccc1 489954324 KOLNDKOXNXBGKE-DOTOQJQBSA-N 275.367 3.697 30 20 CHED CC(C)(C#N)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2F)cc1 810891162 GILAUABWVHLVDV-HUUCEWRRSA-N 289.350 3.925 30 20 CHED Cc1cc2ccccc2nc1NN=C1CC2(CC2)C1 814894057 CAHULPSWZYNAIW-UHFFFAOYSA-N 251.333 3.885 30 20 CHED C#C[C@@H](Nc1cc(C)nc(C)n1)c1ccc(Cl)cc1 811863399 WPCGIPPQFRRXGU-CQSZACIVSA-N 271.751 3.533 30 20 CHED CO[C@@](C)(C=NNc1nccc2sccc12)C1CC1 814808607 CRKHWTLKBKCRDP-AWEZNQCLSA-N 275.377 3.509 30 20 CHED Cc1ccc(F)c(OCc2cccc(F)c2C#N)c1 488258594 YTFBRBZLMKTMSU-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CCC(C)(C)C(=O)CSc1cccc(F)c1C#N 577076650 BRBQNGBGAMAPOJ-UHFFFAOYSA-N 265.353 3.795 30 20 CHED CC(C)OCCON=Cc1ccc(Cl)c2cccnc12 812239546 XGIDHXMKJUDCEG-UHFFFAOYSA-N 292.766 3.664 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 488564703 FDSDKTUDIANTPJ-OAHLLOKOSA-N 274.408 3.528 30 20 CHED C[C@H](NCCCCC#N)c1ccc(N2CCCCC2=O)cc1 810127755 FWSHBPSBFAZGPZ-HNNXBMFYSA-N 299.418 3.548 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)[C@H](C)c1ccccc1 488751570 WCQACZZLTIWZIW-LSDHHAIUSA-N 282.387 3.596 30 20 CHED C=CCN(C(=O)Nc1cccc(F)c1SC)C(C)C 824342706 NABKKBZYXMASLY-UHFFFAOYSA-N 282.384 3.976 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(Cl)c1 490114814 QVEHUDCQSCJGBJ-UHFFFAOYSA-N 260.724 3.580 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C/c1ccccc1F 729445219 DXBZNGWWMAMOTN-MDZDMXLPSA-N 288.366 3.627 30 20 CHED CC(C)c1ccc(CN(C)c2cccnc2C#N)cc1 570612580 GROSMGHPMJUQGJ-UHFFFAOYSA-N 265.360 3.713 30 20 CHED N#Cc1nnc2ccccc2c1N1CCCCCCCC1 829077127 FVPUVIJTWVDPSU-UHFFFAOYSA-N 280.375 3.662 30 20 CHED C=CCN(C(=O)NCc1ccc(Cl)c(Cl)c1)C1CC1 666542072 ZJTALNREYCLTGR-UHFFFAOYSA-N 299.201 3.853 30 20 CHED C=CCOc1ccc(OCc2scnc2C)cc1 576744287 XCMXCMKTDYBCSS-UHFFFAOYSA-N 261.346 3.595 30 20 CHED N#Cc1cc2c(nc1NC1CCCCCCC1)CCOC2 827269957 HSDFILOLXWXOLG-UHFFFAOYSA-N 285.391 3.551 30 20 CHED C/C=C\c1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc1 497412547 RFUXCPQZVBNZQQ-DHCBQETCSA-N 283.375 3.876 30 20 CHED C=CCCNC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 661566128 XPHZNBIBIWBGRI-UHFFFAOYSA-N 299.201 3.637 30 20 CHED CC(C)(C)c1cnc(/C=C/c2nc(C#N)cs2)s1 901543284 FPKJOYPTCPYNNL-SNAWJCMRSA-N 275.402 3.939 30 20 CHED CC#CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 498605232 KYKJHNBHYQOZPW-VXGBXAGGSA-N 296.197 3.627 30 20 CHED COc1cc(CS[C@@H](C)c2cccc(C#N)c2)on1 902369058 MCWGVRCPLHUCHX-JTQLQIEISA-N 274.345 3.549 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2ccccc2c1 905033068 LNCJLUUBHIEKAU-IRXDYDNUSA-N 281.355 3.760 30 20 CHED N#CCCCCCC(=O)Nc1cnc2ccccc2c1 588148796 TZBKJNVKAANEGA-UHFFFAOYSA-N 267.332 3.647 30 20 CHED COc1ccc(O)c(/C=N\CCc2cc3ccccc3o2)c1 739427563 UYJSNINBXTXHOX-UNOMPAQXSA-N 295.338 3.809 30 20 CHED C=CCCNC(=O)NCCCCc1ccc(Cl)s1 661139090 CMVHJNLZRXNYNP-UHFFFAOYSA-N 286.828 3.600 30 20 CHED C=CC[C@H](NC(=O)NC1(C)CCCCC1)c1ccncc1 734946869 LEBCRJMETPABKT-HNNXBMFYSA-N 287.407 3.721 30 20 CHED Cc1occc1C(=O)OCCCCC1(C#N)CCC1 908805252 PAOZAGNDSORJBF-UHFFFAOYSA-N 261.321 3.609 30 20 CHED CCCCCCCC[C@@H](N)c1nc([C@H]2CCCO2)no1 900012010 PEASJYQGMOZEOC-CHWSQXEVSA-N 281.400 3.672 30 20 CHED CCCCCCCCCC(=O)N1CCOC[C@@H]1CC 734412035 HSUYZSFGOZVKJL-HNNXBMFYSA-N 269.429 3.765 30 20 CHED CN(C)C[C@](C)(C=NNc1ccccc1)c1ccccc1 834913799 DZRLGVWBILFQEV-SFHVURJKSA-N 281.403 3.604 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(SCC)cc1 491673463 VRVPEZGAPXDPMA-STQMWFEESA-N 290.432 3.523 30 20 CHED Cc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1 588535111 NAQRHYSGGAPHJY-RIYZIHGNSA-N 250.297 3.523 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1NC(=O)CCCCCC#N 589848523 WOEIGMRKTNRZRP-UHFFFAOYSA-N 296.374 3.798 30 20 CHED C=C(Cl)CNC(=O)NCCCCCCC(C)C 736397723 FZYXZFHEOCDFQB-UHFFFAOYSA-N 260.809 3.645 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C(=O)O)c1ccccc1F 901749597 NNOUKTQSHQHSHL-IUODEOHRSA-N 279.355 3.676 30 20 CHED COc1ccc(-c2noc(CCCCCC#N)n2)cc1C 589121834 JMPDZINTLRGNFZ-UHFFFAOYSA-N 285.347 3.680 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1cnn(C(C)C)c1 734302425 CRPVPXZONDBCIE-UHFFFAOYSA-N 296.296 3.717 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccc(/C=C/C(=O)O)o1 902349158 DBKDGZTUGLLGPZ-DRWRZZHCSA-N 289.375 3.602 30 20 CHED C=CCC1(C(=O)OCc2nc(C)sc2C)CCCC1 835262608 CUOIFIKFRCDZMQ-UHFFFAOYSA-N 279.405 3.940 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1ccc(C(F)(F)F)cn1)OC 834921647 XEGAQFATMDGFHR-MWLCHTKSSA-N 289.301 3.559 30 20 CHED CC(C)c1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)on1 733857061 KSUDNRYIGHXPCU-NSHDSACASA-N 284.315 3.588 30 20 CHED CC(=NNc1nc(-c2ccc(Cl)cc2)no1)C(C)C 732926030 XUMJKSUEXPHHGG-UHFFFAOYSA-N 278.743 3.834 30 20 CHED CC(C)COc1ccc(NC(=O)C#CC2CC2)cc1Cl 837336036 YNCYEBLAHSFMFD-UHFFFAOYSA-N 291.778 3.727 30 20 CHED CCCCCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1 916663183 YGWHRGBVRJDWLB-OAHLLOKOSA-N 277.408 3.849 30 20 CHED C#CCN(CC)C(=O)N[C@H](c1cccs1)C(CC)CC 919910528 WPGLLIYDNWHSQT-HNNXBMFYSA-N 292.448 3.890 30 20 CHED C=CCOc1cccc(C=NNc2ccccc2)c1 916247124 BREYMJHHGJJHQM-UHFFFAOYSA-N 252.317 3.697 30 20 CHED C=C(C)[C@H](CC(=O)N1CC(C)(C)c2ccccc21)OCC 677312171 HZTYOZVDTUGQDG-INIZCTEOSA-N 287.403 3.682 30 20 CHED Cc1ccc(C#N)cc1-c1ccc(CCN(C)C)cc1 593955370 YYGFPYUWWJOLLQ-UHFFFAOYSA-N 264.372 3.638 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 594038291 MMWDYMHXJISOII-ZTFGCOKTSA-N 298.430 3.679 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 742435182 QYDKRWGWXOAUBQ-DAXSKMNVSA-N 295.294 3.521 30 20 CHED CCc1ccc(C=NNc2ccccc2[N+](=O)[O-])cc1 916249900 BOGJQKJDZZIUTR-UHFFFAOYSA-N 269.304 3.603 30 20 CHED CCO[C@@H]1CC(=NNc2nc3ccccc3[nH]2)C12CCCC2 743422300 YMGDCNZCEDDBAO-OAHLLOKOSA-N 298.390 3.700 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCC(C)=C(C)C1)c1ccncc1 843549546 MXEUUNNBHXHTDW-IRXDYDNUSA-N 284.403 3.952 30 20 CHED Cc1ccc(C#N)nc1NCc1ccc(C(C)(F)F)cc1 596240578 WRZVZODFFYRXAQ-UHFFFAOYSA-N 287.313 3.986 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H](C)c1cccc(CC(C)C)c1 594090957 JBXYLZOYGCVUMA-YOEHRIQHSA-N 286.419 3.749 30 20 CHED CC1(C)C[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)CCO1 590780299 FGLDHKJOERKZFA-MAUKXSAKSA-N 298.430 3.730 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1nccs1 918134772 DJBVRCUXDIFTMM-ZDUSSCGKSA-N 297.468 3.939 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1nc(Cl)c(C#N)s1 841222906 CCIZNWLHBJHOAG-GFCCVEGCSA-N 285.800 3.823 30 20 CHED N#CC[C@@H]1CCCN(c2nc3ccccc3n3cccc23)C1 596325864 OPEAPXPTFACSJY-AWEZNQCLSA-N 290.370 3.618 30 20 CHED C=C(C)CCOC(=O)COc1cc(Cl)ccc1Cl 744303930 GEOUPBQBZIERPH-UHFFFAOYSA-N 289.158 3.882 30 20 CHED Cc1cccc(C2(C(=O)N3CCC[C@@H](CC#N)C3)CCC2)c1 597914160 DAZGZEXRBFPZGT-INIZCTEOSA-N 296.414 3.569 30 20 CHED N#Cc1cccc(NC(=O)N2CCCCc3ccccc32)c1 917669229 SPJPUKMPFNFLCH-UHFFFAOYSA-N 291.354 3.933 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 914477084 WWIRQXBQFSDTGY-UHFFFAOYSA-N 284.746 3.878 30 20 CHED C=CCN(C(=O)c1nc(-c2ccco2)sc1C)C(C)C 915153907 ZDSGOBWARGVKBN-UHFFFAOYSA-N 290.388 3.748 30 20 CHED C=CC[C@H](C(=O)Nc1cccc(OCC)n1)c1ccccc1 681664305 FLEQADJGFOLARP-HNNXBMFYSA-N 296.370 3.779 30 20 CHED Cc1n[nH]c(C)c1C=NNc1ccnc2cc(Cl)ccc12 915934873 MKJKECJOMQUSMN-UHFFFAOYSA-N 299.765 3.674 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cccc(C#N)c2)cc1C 917668980 OHEOVNFLNNQKKW-UHFFFAOYSA-N 279.343 3.843 30 20 CHED CC[C@H](C)CC(=O)N(CC#N)c1ccc(Cl)cc1 592652550 OADFKHPOFKLMFS-NSHDSACASA-N 264.756 3.633 30 20 CHED CCOc1ccc(/C=N/[C@@H](C)c2ccc(OC)cc2)c(O)c1 745624343 JTQHDUCYQOTYGH-HCZVKUGISA-N 299.370 3.980 30 20 CHED Cc1c(NN=C2CCC(C)(C#N)CC2)cccc1C(=O)O 844623300 LKQDXOXLHANQCQ-UHFFFAOYSA-N 285.347 3.565 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]2C[C@@H]21 591243968 VCVCPVBONYHZPI-LAVFITLUSA-N 266.388 3.714 30 20 CHED CC/C(=C\C(=O)N[C@@](C)(C#N)CC)c1ccc(C)cc1 741681666 OFDMUBLLESOBTP-GWKQRERASA-N 270.376 3.597 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)C[C@H]1CC1(C)C 597253709 MBPQBMPIYHWRBS-MRXNPFEDSA-N 286.419 3.847 30 20 CHED C#CCCCNC(=O)Nc1ccc(CCC(C)C)cc1 743130995 WZWCDYAFCNIQGL-UHFFFAOYSA-N 272.392 3.810 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)[C@H]1CC[C@H](C)CC1 845525970 QJNCFAFMXIUFQJ-DZKIICNBSA-N 268.397 3.585 30 20 CHED CC(C)CON=Cc1csc(-c2ccc(F)cc2)n1 749631971 UEYQVSCGQFHZDA-UHFFFAOYSA-N 278.352 3.956 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)Cc2ccc(F)cc21 749002547 LFCSHKNPCSQSGO-YRNVUSSQSA-N 274.241 3.926 30 20 CHED N#C[C@@H](OC(=O)c1ccc2ccncc2c1)C1CCCCC1 845421304 AIPJRYVFKXGHCE-QGZVFWFLSA-N 294.354 3.864 30 20 CHED CCC(C)(C)OCC/N=C/c1cc(Cl)ccc1O 840708321 AALJWCWYRLKCOY-MHWRWJLKSA-N 269.772 3.670 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc(COC(C)(C)C)on1 841348847 MSYJWDMTNROCPT-MRXNPFEDSA-N 295.379 3.635 30 20 CHED CC(C)CCN(CCC#N)Cc1coc(C(C)(C)C)n1 929781212 SRQBSBJIHAIDKA-UHFFFAOYSA-N 277.412 3.734 30 20 CHED C=CC[C@@H](C(=O)N(CC)Cc1ccoc1)c1ccccc1 681659484 QFLUXBPNLLEYCS-QGZVFWFLSA-N 283.371 3.988 30 20 CHED CC[C@@H](C)CCCCC(=O)NCC#Cc1ccccc1 680022761 QOAMZLCYRKPALP-MRXNPFEDSA-N 271.404 3.761 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1CCC 682416507 PRQRYGZVIDBQPI-UONOGXRCSA-N 252.402 3.563 30 20 CHED CO[C@@H](C#N)c1ccc(-c2cc(CN(C)C)ccc2F)cc1 854196561 FBURDEGSVJTVSF-SFHVURJKSA-N 298.361 3.765 30 20 CHED C[C@@H]1CCCCN1N=Cc1sc(Cl)nc1Cl 853379632 KTHJHHZHCKDJLK-SSDOTTSWSA-N 278.208 3.658 30 20 CHED N#C[C@@H]1CCCN(C(=O)c2ccc(C3=CCCC3)cc2)C1 928215162 IVSUXSMDCGMCEX-AWEZNQCLSA-N 280.371 3.630 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(N3CCCC3)nc2)c1 759665984 STOUIMGMBJCWIV-UHFFFAOYSA-N 298.365 3.575 30 20 CHED CCS[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)C(C)C 851210224 OYHYUGRRCMTOEE-NWDGAFQWSA-N 271.426 3.636 30 20 CHED CCc1nnc(NCc2c(C)cccc2F)c(C#N)c1CC 758464246 MGKVJHLSZQTUQW-UHFFFAOYSA-N 298.365 3.533 30 20 CHED CC(C)c1cnc(Sc2nc(Cl)c(C#N)s2)[nH]1 858727285 HYNCSKRERSZAJR-UHFFFAOYSA-N 284.797 3.666 30 20 CHED C=CC[C@H](NC(=O)NC1(CC=C)CCCC1)c1ccncc1 853746258 HHFSPTMOGCGVOZ-INIZCTEOSA-N 299.418 3.887 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1ccccc1O[C@@H](C)C#N 857603550 CZUMJFSLTRRAIO-LRDDRELGSA-N 292.354 3.834 30 20 CHED CCc1ccc(C(C)=NNc2cccc(C#N)c2)o1 752161047 OYWPQIDWBQALPM-UHFFFAOYSA-N 253.305 3.550 30 20 CHED COc1cccc(NN=C[C@H]2CCc3ccccc32)c1 755608709 NQWDUFIKOVYKHR-CQSZACIVSA-N 266.344 3.823 30 20 CHED CN(Cn1ccc(-c2cccs2)n1)c1ccc(C#N)cc1 754759897 VURZGVADAQDKHO-UHFFFAOYSA-N 294.383 3.577 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)OCc1ccc(C#N)cc1F 920731339 VTOVCSKMEZPOQZ-GXTWGEPZSA-N 289.350 3.957 30 20 CHED CC(CC1CCOCC1)=NNc1cccc2cnccc12 757577196 YIAWUBLBHBVBRZ-UHFFFAOYSA-N 283.375 3.839 30 20 CHED CC1(C)CCC[C@H](C(=O)Oc2ccc(C#N)cc2)C1 756482510 SEVRQDVJQQDEPX-ZDUSSCGKSA-N 257.333 3.680 30 20 CHED COc1ccc(NN=C(C)c2cc3ccc(C)cc3o2)nc1 754972304 CDGZIFFMGVPHBH-UHFFFAOYSA-N 295.342 3.981 30 20 CHED C[C@H]1C[C@@H]1C=NNc1c(F)cc(F)cc1Br 758378994 SWIZDGLGSYIAMM-NKWVEPMBSA-N 289.123 3.781 30 20 CHED N#CC1(CCCCN2CCCC[C@@H]2c2cc[nH]n2)CCC1 930447551 AKXYKYCPCCXPLT-MRXNPFEDSA-N 286.423 3.801 30 20 CHED CCCCCCCOC(=O)c1ccc(C#N)s1 750394714 JCBZTROCMQEODR-UHFFFAOYSA-N 251.351 3.747 30 20 CHED C=CCCOC(=O)[C@H](C)Cc1ccccc1Cl 754297374 FDOBTPMQOFVROG-LLVKDONJSA-N 252.741 3.638 30 20 CHED COc1cccc([C@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851209162 CGHKREJNYUSQPA-STQMWFEESA-N 289.375 3.670 30 20 CHED CCCCCCCCNC(=O)c1c(C)nn(CC)c1C 754842071 NMDJTBSJVAENAI-UHFFFAOYSA-N 279.428 3.610 30 20 CHED C[C@H](C=NNc1ccc(C#N)cc1)c1ccc(F)cc1 756879411 JZPJLPHIHYSGAV-GFCCVEGCSA-N 267.307 3.899 30 20 CHED C#CC[C@H](NC(=O)CCC(C)(C)C)c1ccccc1 757597421 LJQKHZBCJSQDMU-HNNXBMFYSA-N 257.377 3.694 30 20 CHED C/C(C=NN1CCOC1=O)=C/c1ccccc1C(F)(F)F 863161682 UKSRTLWYIWHVPT-GNAHVBDCSA-N 298.264 3.547 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc(SC)cc1 935697944 OUTIBPWJCIZXNL-OAHLLOKOSA-N 289.444 3.908 30 20 CHED CCCCCCCc1nc(C2(OC)CCC2)no1 762388624 PVDNWZPBVYSQMK-UHFFFAOYSA-N 252.358 3.608 30 20 CHED Cc1cc(C)nc(NN=C2C[C@H]3CCCc4cccc2c43)n1 763339535 PLGBYFVGEXPVFC-CQSZACIVSA-N 292.386 3.733 30 20 CHED C[C@@H](CC1CCC1)Nc1ccc(F)cc1OCC#N 768519061 MHDYCXAKWJFJEU-NSHDSACASA-N 262.328 3.719 30 20 CHED Cc1cccc2c(C(=O)N[C@@H](C#N)C3CCCC3)coc12 1119446803 XWOROERHRDNYCV-HNNXBMFYSA-N 282.343 3.553 30 20 CHED COc1cccc(NN=C2CCCOc3cc(C)ccc32)c1 763149773 QIUDMLYELOSSRM-UHFFFAOYSA-N 296.370 3.992 30 20 CHED C=C(Br)CSCCN(C(C)C)C(C)C 762199811 YVJJPIRWRDWPFQ-UHFFFAOYSA-N 280.275 3.747 30 20 CHED Cc1cc(F)ccc1C=NNc1cc(C#N)cc(Cl)n1 768374625 HTIMHZDRLHGZIS-UHFFFAOYSA-N 288.713 3.500 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC/C=C/C1CC1 1117751284 PHDYXJAKVRFSRM-OAJJDEHYSA-N 266.388 3.882 30 20 CHED CC[C@H](COC(=O)c1ccc(CC#N)cc1)CC(F)F 1118453652 BHVTXQNZADVBBJ-NSHDSACASA-N 281.302 3.591 30 20 CHED C#CCCCN[C@@H](COc1ccccc1F)c1ccccc1 775181519 ROXXDEKIMOMVDO-SFHVURJKSA-N 297.373 3.949 30 20 CHED CCCCCCCC(=O)N[C@H]1CC(C)(C)OC1(C)C 778133440 PAHNQFBPQHUXOL-ZDUSSCGKSA-N 269.429 3.809 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(F)c(C#N)c1)C2=O 770573892 VSFYSDBLJRKLNC-NTUHNPAUSA-N 277.298 3.828 30 20 CHED O=C(/C=C/c1cc(F)cc(Cl)c1)c1cncc(F)c1 776720671 SJVKMWGOQPAJIH-OWOJBTEDSA-N 279.673 3.909 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccccc1 878053284 DNTQEOCWAJJKNO-OAHLLOKOSA-N 257.377 3.952 30 20 CHED C=C(C)CNC(=O)c1cc(-c2ccco2)nc2ccccc12 779129958 JRDKUQCHPXRLGU-UHFFFAOYSA-N 292.338 3.801 30 20 CHED C#CCCCCCC(=O)N(CC(C)C)CC(C)C 779831464 CALWCUPINPWTDK-UHFFFAOYSA-N 251.414 3.711 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(Br)n2)o1 777914708 CNDKCRUKNAIIAL-SREVYHEPSA-N 292.132 3.642 30 20 CHED N#Cc1cccc(C(=O)O[C@@H]2COc3cc(Cl)ccc32)c1 774520979 FAQIAEUEDNWTEL-OAHLLOKOSA-N 299.713 3.502 30 20 CHED Cc1ccc([C@H](C)C(=O)O[C@@H](C#N)C2CCCCC2)o1 776390590 GMAMSDOKTZVFMD-WFASDCNBSA-N 275.348 3.707 30 20 CHED O=c1ccccn1N=Cc1ccc(-c2cccc(F)c2)s1 776784049 GNHHDMNILCTXAZ-UHFFFAOYSA-N 298.342 3.598 30 20 CHED Cc1nc2ccccc2c(C)c1C(=O)OCCC(C)(C)C#N 776362517 BLWYONGQAVWSDN-UHFFFAOYSA-N 296.370 3.948 30 20 CHED C[C@@H](C(=O)N1CCC(c2ccc(C#N)cc2)CC1)C(C)(C)C 887704385 CPHSIDIGNGLBKT-AWEZNQCLSA-N 298.430 3.946 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(CC#N)c1 1123330731 PESFAHDPVNJIGD-MRXNPFEDSA-N 283.375 3.715 30 20 CHED N#Cc1ccc(NN=C2CCc3c(O)cccc32)cc1Cl 783875151 JCTLNJZXTKYTQZ-UHFFFAOYSA-N 297.745 3.680 30 20 CHED C=C1CCC(C(=O)NCc2ccc(Cl)s2)CC1 888066165 QWXUQNYYNBSNHY-UHFFFAOYSA-N 269.797 3.764 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 783776266 HLGAHGJCAKKALP-LBPRGKRZSA-N 272.270 3.672 30 20 CHED N#CC1(C(=O)OCc2cc(F)ccc2Cl)CCCCC1 782261103 GKIONFRZRXIVBF-UHFFFAOYSA-N 295.741 3.996 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@H](SC)C(C)(C)C)c1 783682521 WNKZAMAAZNLZKJ-HAKPAVFJSA-N 295.448 3.988 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1CSc2ccccc21 783724855 JQRNNAUQXDBXSR-ZDUSSCGKSA-N 289.400 3.749 30 20 CHED CC1(C)CCC(=NNCc2cnc3ccccc3c2)C1 783855778 NWVHGMLMWVZSKR-UHFFFAOYSA-N 267.376 3.891 30 20 CHED CC(=O)OCCCc1cccc(NC[C@H](C)CCC#N)c1 787784216 WPRTUPCJTPOCQM-CQSZACIVSA-N 288.391 3.534 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cn2cc(Cl)ccc2n1 785758594 CCAAMAJEWGNYFV-HNNXBMFYSA-N 292.766 3.633 30 20 CHED C#CCC1(C(=O)Nc2cccc(C#C)c2)CCCCC1 788145931 XGQUUPXWWYJEMU-UHFFFAOYSA-N 265.356 3.580 30 20 CHED Cc1cc(F)ccc1/C=C1\Cc2cc(O)ccc2C1=O 780188506 MJLUIJQBQCPROU-NTUHNPAUSA-N 268.287 3.662 30 20 CHED Cn1cc(C=NNC2CCCCC2)c(C2CCCCC2)n1 786043821 ZLSWELIQTCVHBL-UHFFFAOYSA-N 288.439 3.724 30 20 CHED CCCCCCCCCNC(=O)c1cnn(C(C)C)c1 786739985 YYFSVOXLTZXOLL-UHFFFAOYSA-N 279.428 3.944 30 20 CHED Fc1cc(NN=C2CCC[C@@H]2c2ccccc2)ccn1 781129837 MBLSXKATYTWUME-CQSZACIVSA-N 269.323 3.956 30 20 CHED C[C@]1(C#N)CCCN(Cn2c(=S)oc3ccccc32)C1 784015924 YVXYRFFRNAASFG-OAHLLOKOSA-N 287.388 3.547 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cccc2ncccc12 1137632170 TVGIWWQPBKXGEA-UHFFFAOYSA-N 287.366 3.738 30 20 CHED N#Cc1ccc(CCN2CCC3(CCCCC3)C2)cc1 1208929531 UOCXDIBVRNQVCV-UHFFFAOYSA-N 268.404 3.757 30 20 CHED C=C1CN(C(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)C1 898698095 CITZTTBGAPJKQE-CYBMUJFWSA-N 283.293 3.597 30 20 CHED C#CCOc1ccccc1CNc1ccc(F)c([C@H](C)O)c1 796520382 UKDCLXBPNITHBO-ZDUSSCGKSA-N 299.345 3.503 30 20 CHED COc1cccc(/C=C2\Cc3c(OC)cccc3C2=O)c1F 799891619 HRQUDFQYFNWBAN-FMIVXFBMSA-N 298.313 3.665 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1cccc(F)c1Cl 797885367 TWPPUBMZOLOSPH-UHFFFAOYSA-N 293.681 3.609 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cc(F)c(F)c(F)c1 793175140 OVYHMFALWLLMGL-UHFFFAOYSA-N 299.683 3.988 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 793537717 YRVYUXNOQQVINE-ZJIFWQFVSA-N 265.441 3.915 30 20 CHED CCCCCCCCNC(=O)c1c[nH]nc1-c1ccoc1 790002522 LEMFEXRPUWAMKS-UHFFFAOYSA-N 289.379 3.760 30 20 CHED CC(=NNc1cccc(Br)c1)c1cc(C)on1 790290668 NIRKPHYCYOVQQK-UHFFFAOYSA-N 294.152 3.582 30 20 CHED Cc1c(C(=O)OCCCC#N)sc2ccc(C#N)cc12 796616349 ZUVQIBBZLRHERQ-UHFFFAOYSA-N 284.340 3.542 30 20 CHED CCCCCCCCCC(=O)NC[C@@H]1CCSC1 791058230 BVXNQQYUHLONCH-AWEZNQCLSA-N 271.470 3.996 30 20 CHED CCCNc1ccc(C#N)cc1NC[C@@H]1CC1(Cl)Cl 795268411 VQLDKXXKAIHTHL-NSHDSACASA-N 298.217 3.986 30 20 CHED CCc1nc2c(s1)C(=NNc1ncccc1C)CCC2 790184907 CTESYXVHIUCTQL-UHFFFAOYSA-N 286.404 3.561 30 20 CHED CSCCON=C(C)c1sc(C(C)(C)C)nc1C 794571747 GSAKIGDSQUILIO-UHFFFAOYSA-N 286.466 3.853 30 20 CHED C=CCN(CCC#N)[C@H](C)c1nnc(-c2cccc(C)c2)o1 794734765 NUCGDHYQNIBNNQ-CQSZACIVSA-N 296.374 3.508 30 20 CHED CCCCCCC[C@@H](C)NC[C@@H]1CCCN(C(C)=O)C1 793290375 FYAQPVGDQIDQSE-WBVHZDCISA-N 282.472 3.584 30 20 CHED N#Cc1cc(NC(=S)Nc2ccsc2)ccc1F 790313954 GTRAIKAHMAVNJS-UHFFFAOYSA-N 277.349 3.568 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1319164848 UGUATLDBUKTMBO-GOEBONIOSA-N 261.409 3.794 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1ccc(OCC#N)cc1 1319863074 IFRDJFQPLVPDAM-CVEARBPZSA-N 288.391 3.595 30 20 CHED CSCc1ccc(C(=O)N(CCC#N)CC(C)C)cc1 701277449 IJSXFFSKZZGUET-UHFFFAOYSA-N 290.432 3.561 30 20 CHED C#C[C@H](NC(=O)CSc1ccc(Cl)cc1)C(C)(C)C 702239173 KDEIRIUKFQAMHE-ZDUSSCGKSA-N 295.835 3.596 30 20 CHED C=CC[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)OCC 1328216298 TVOKDQVNBUPUBB-JSGCOSHPSA-N 287.359 3.591 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1ccc(OCC#N)cc1 1322406859 AZFCJMWNRWQULB-UHFFFAOYSA-N 298.342 3.866 30 20 CHED C[C@@H]1CCN(C(=O)CC#Cc2ccccc2)[C@H]2CCCC[C@H]21 1323870221 DOSANRGCXHUIGD-NEWSRXKRSA-N 295.426 3.855 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(Cl)cc1Cl 60020019 LZCZBJXJCNOLGN-JTQLQIEISA-N 299.201 3.544 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H]3CCCC[C@H]3C2)c1C#N 1320030156 POOMDFRAGFJDPO-OLZOCXBDSA-N 289.810 3.932 30 20 CHED CN(C)c1ncccc1/C=C\C(=O)c1ccc(Cl)cc1 1323544394 GXEAPZGPTASYSP-YFHOEESVSA-N 286.762 3.697 30 20 CHED CC(C)(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 1327353833 LTUDCROEURXIPQ-UHFFFAOYSA-N 267.332 3.587 30 20 CHED C=CC[C@@H]1CCCN(Cc2cc(C(=O)O)sc2C)C1 656759756 LHSIIZMGGUOMIV-GFCCVEGCSA-N 279.405 3.543 30 20 CHED C=C(C)CCC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 1335743111 NKGWDHPZZAUWRE-UHFFFAOYSA-N 297.402 3.625 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1oc(SC)cc1C 1337552278 VHIBVIMRQKAJFS-LBPRGKRZSA-N 279.405 3.881 30 20 CHED C[C@@H](CC(=O)N[C@H](C#N)C1CCCC1)c1cccc(F)c1 1335109022 BRZXQHLCJGQWRA-BLLLJJGKSA-N 288.366 3.518 30 20 CHED C=C(C)COCCN[C@@H](C)c1cccc(C(F)(F)F)c1 90451211 FKWTXTIOBYUPOV-LBPRGKRZSA-N 287.325 3.949 30 20 CHED C[C@@H](NCc1cc(C#N)cs1)c1ccc(F)cc1F 93492083 LPTOQWFGSRUIPQ-SECBINFHSA-N 278.327 3.749 30 20 CHED C#Cc1cccc(N(C)Cc2ccc(C#N)cc2Cl)c1 784340930 GKAPLONLGKDVAC-UHFFFAOYSA-N 280.758 3.829 30 20 CHED CC[C@@](C)(NC(=O)CC#Cc1ccccc1)c1ccccc1 1332984061 UDMNGNWPWYAJIQ-HXUWFJFHSA-N 291.394 3.870 30 20 CHED CC(C)(C)[C@@H]1CSCCN1CCc1ccc(C#N)cc1 1197297024 NDPTWWCCYRKHNZ-INIZCTEOSA-N 288.460 3.564 30 20 CHED C=C[C@](C)(CC)c1nnc(-c2ccccc2OC)o1 1261574540 BXBWEJKIOISNED-OAHLLOKOSA-N 258.321 3.599 30 20 CHED COc1cc(O)ccc1/C=C1\CCc2ccc(C)cc2C1=O 1341083155 SHYGSNROCJIIQM-XNTDXEJSSA-N 294.350 3.922 30 20 CHED N#CC[C@H](OC(=O)C1(C(F)F)CCCC1)c1ccco1 1347949344 VDEYSRKBQJSIDF-NSHDSACASA-N 283.274 3.603 30 20 CHED CC(C)c1cccc(C(=O)Nc2cccc(OCC#N)c2)c1 1264602580 MVJLAGZEUCGRTM-UHFFFAOYSA-N 294.354 3.965 30 20 CHED CC(C)Cc1ncc(C(=O)OCC(C)(C)CCC#N)s1 1348349908 QCCMXHKESLISDA-UHFFFAOYSA-N 294.420 3.828 30 20 CHED CN(C(=O)c1ccc(C#N)cc1F)C1CCC(C)(C)CC1 1353605999 APJXJTGKZIROQO-UHFFFAOYSA-N 288.366 3.738 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccnc(-c2ccco2)c1 1519631689 OICJSRUHCLTXEX-LBPRGKRZSA-N 298.342 3.827 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cnn(CC(C)C)c1 1517546021 DACHXSCPSMQJBA-HNNXBMFYSA-N 290.411 3.502 30 20 CHED C=C[C@H](C(=O)N(C)[C@H](C)C1(C)CC1)c1ccccc1 1521244968 YKNPDPOBXXZUGR-HIFRSBDPSA-N 257.377 3.603 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cc(C(=O)O)cs1 1602990754 FFNLUOMBBSLQPA-UHFFFAOYSA-N 296.298 3.561 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCCc2ccccc21 1618350544 MNOQTLGWBPMPPA-GOSISDBHSA-N 290.366 3.674 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc2c1CCCC2 1616435019 PEGJGEJMIWVPBC-UHFFFAOYSA-N 298.430 3.967 30 20 CHED CCc1ncnc(Sc2ccc(C#N)c(C)c2)c1F 1472813827 NIORXOPABFPINX-UHFFFAOYSA-N 273.336 3.509 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc3scnc3c2)c1 1584930122 JXKLCVABBZRKGV-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=CCCCCCN(C)[C@H](C(=O)O)c1ccccc1F 1588799903 OLZPFTFKUMUHAO-HNNXBMFYSA-N 279.355 3.630 30 20 CHED COc1cc(Cl)ccc1Oc1ncc(C#N)cc1F 1651957748 UXGQBHBYRUSAOH-UHFFFAOYSA-N 278.670 3.547 30 20 CHED C=CCOc1ccc(/C=C/c2ccc(C(=O)O)cn2)cc1 1588874589 BPVXCDBCGCOZKD-XVNBXDOJSA-N 281.311 3.515 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C2CCCCCCC2)C1 1584703763 XRQRRQLIRYIBJC-ZFWWWQNUSA-N 263.381 3.972 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccc(Cl)[nH]2)cc1 1584081069 YCRRIIDTYQATIP-UHFFFAOYSA-N 287.750 3.537 30 20 CHED CC1(C)C/C(=C/c2cc(C(=O)O)co2)C(=O)c2ccccc21 1593842371 KEDILBPVSSOBNS-XFFZJAGNSA-N 296.322 3.925 30 20 CHED CCCCCCCN1CC[C@@](C(=O)O)(c2ccccc2)C1 1595704349 HCODKQNNWNDXKB-SFHVURJKSA-N 289.419 3.685 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 1662638468 ZOYJDMWGEYMXRU-CZUORRHYSA-N 285.391 3.909 30 20 CHED N#Cc1ccsc1NC(=O)N[C@H](c1ccccc1)C1CC1 1678962416 CWBQYVQHYUWRLQ-CQSZACIVSA-N 297.383 3.893 30 20 CHED C[C@@H](NC(=O)Nc1sccc1C#N)c1ccsc1 1671449799 OPWYFDMAIPXNDA-MRVPVSSYSA-N 277.374 3.564 30 20 CHED C=CCCCCCN1CCc2c(C(=O)O)ccc(F)c2C1 1776174428 UJUHXZJBWHLGGB-UHFFFAOYSA-N 291.366 3.628 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@H](C)c2ccc(Cl)cc2)C1 1776157374 GGFJYPADGOGYNX-WBMJQRKESA-N 293.794 3.754 30 20 CHED C=CCN(CC1CCCCC1)[C@H]1CC[C@H](CC(=O)O)C1 1776177530 WPKMOHNAFJZUOF-HOTGVXAUSA-N 279.424 3.698 30 20 CHED C=CCN(Cc1cccs1)[C@@H](C(=O)O)c1ccccc1 1776181100 RNXUVFVHRRLBAG-OAHLLOKOSA-N 287.384 3.562 30 20 CHED C[C@@H](CCc1ccco1)N[C@H](C)c1ccc(C#N)cc1 20144712 AXGZZIYANAEVHH-UONOGXRCSA-N 268.360 3.823 30 20 CHED COc1cc(C(=O)O)ccc1/C=C\C(=O)c1ccccc1C 1777268275 BTOVUEHCJUATEH-KTKRTIGZSA-N 296.322 3.598 30 20 CHED Cn1cc(CNc2ccc(C#N)cc2)c(C2CCCCC2)n1 162046446 TVZBLKYGNSIBEY-UHFFFAOYSA-N 294.402 3.952 30 20 CHED C=CCC(CC=C)C(=O)NCc1c(O)ccc2c1CCCC2 163021691 QCFUSURLZFNFAR-UHFFFAOYSA-N 299.414 3.656 30 20 CHED CCC[C@H](C(=O)Oc1ccc(C#N)cc1OC)C(C)C 152455971 FVXCJHWFPNTDKM-ZDUSSCGKSA-N 275.348 3.545 30 20 CHED COc1cccc2c1CC[C@@H]2N[C@@H](C)c1cccc(C#N)c1 153712542 JSHLEYDSTLBZCL-UGSOOPFHSA-N 292.382 3.905 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1CCCc1ccccc1 156469079 DMADQFAOQMPSSS-KRWDZBQOSA-N 271.404 3.967 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 8322502 WOODJWVKWGPVMJ-DHZHZOJOSA-N 267.284 3.799 30 20 CHED C#Cc1cccc(N(C)C(=O)C2CCC3(CC2)CC3)c1 825980327 YUHLIEXBNZWSIK-UHFFFAOYSA-N 267.372 3.601 30 20 CHED COc1ccc(Cl)cc1NCc1cccc(C#N)c1F 223726234 HSTZIOJRBVATTQ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1cscc1-c1noc(Cc2ccc(C#N)cc2)n1 235799296 QEBGDPWVHIEGQZ-UHFFFAOYSA-N 281.340 3.569 30 20 CHED Cc1ccc(SCCC(=O)N(C)[C@H](C)CC#N)cc1C 264013576 CGKKYXMUEGTHMH-CQSZACIVSA-N 290.432 3.546 30 20 CHED C[C@@H](NCc1csc(C2CC2)n1)c1ccc(C#N)cc1 264942621 GZGYWYAHXAACTN-LLVKDONJSA-N 283.400 3.743 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]2CCC[C@@H]21 165488839 UMPHSFFQRDJZKK-RDJZCZTQSA-N 254.377 3.631 30 20 CHED N#Cc1ccc(OCCOc2cccc(Cl)c2F)cc1 167124991 JNBFFMRPGUOUGQ-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C=CCN(Cc1ccccc1)Cc1noc(C(C)(C)C)n1 51400784 RYKDHLXMONZOBB-UHFFFAOYSA-N 285.391 3.555 30 20 CHED CC(C)(C)SCCNc1c(F)cc(C#N)cc1F 301160414 RUKCQFBIHGLRJZ-UHFFFAOYSA-N 270.348 3.780 30 20 CHED CC[C@@H](CC#N)NCc1csc(Cl)c1Cl 309175712 MQSDUOWBOAQWCL-QMMMGPOBSA-N 263.193 3.837 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SCc1ccco1 78831818 RIVNEUSBJIQUGT-UHFFFAOYSA-N 284.262 3.857 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 79827049 FFSVHMZBMIQZIL-VIFPVBQESA-N 298.173 3.761 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nnc(C2CC2)o1 547768667 CFDRTIFRKVCSQS-UHFFFAOYSA-N 283.375 3.525 30 20 CHED N#Cc1ccc(CN2C[C@H]3CCC[C@@H](C3)C2)c(Cl)c1 388854125 ZSKWTUCWMUKGBQ-KBPBESRZSA-N 274.795 3.834 30 20 CHED C[C@H]1CSC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 397822578 KKXPXGNMIDOITR-UFBFGSQYSA-N 286.322 3.740 30 20 CHED CC(C)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 7924563 ZDIMQEUDKRWEHB-QGZVFWFLSA-N 296.345 3.824 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCc1cccc(F)c1F 11543001 RTJPJXBPWYUXDV-CMDGGOBGSA-N 299.276 3.593 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc1 33793688 IUDSCELTEHFRGO-MLPAPPSSSA-N 281.355 3.657 30 20 CHED COc1ccc(CNc2cc(Cl)ccc2C#N)cc1O 36954260 NWPDPXWBLMWKPN-UHFFFAOYSA-N 288.734 3.538 30 20 CHED C[C@H](NCc1ccccc1F)c1ccc(OCC#N)cc1 37211939 KZPRLEQGMIIHPX-ZDUSSCGKSA-N 284.334 3.579 30 20 CHED Cc1ccc(C)c(NC(=O)c2cccc(CC#N)c2)c1 42181493 JXHUJFRZRJVFMS-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CCN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)C#N 42324026 VMGZTSABXMRQHI-JTQLQIEISA-N 271.191 3.975 30 20 CHED N#CCCCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 45915439 TYEHUVJLYLCLTD-UHFFFAOYSA-N 282.309 3.974 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccsc1 45934571 NKLGNBCZZZVGCI-UHFFFAOYSA-N 257.358 3.577 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc(SC)ccc1Cl 60102506 LUGGGLSCCHJSAC-SNVBAGLBSA-N 296.823 3.684 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 66311972 DZMRMYPOWUOIAJ-DOTOQJQBSA-N 287.403 3.640 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@H](C)CC(C)C 67791917 NFOGLAJFEVGEMT-GFCCVEGCSA-N 275.348 3.545 30 20 CHED N#CCN[C@@H](CCCc1ccccc1)c1ccccc1 73460245 FHMLTTCYFCGLOV-SFHVURJKSA-N 264.372 3.864 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2ccccc2C#N)C1 76069618 PWVWTDCGTSMSFI-JKSUJKDBSA-N 274.433 3.664 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(SC)c1 76459525 JVVYEUKAQZMLSS-UHFFFAOYSA-N 264.394 3.838 30 20 CHED C=CCCNc1cccc(C(=O)N2CCc3ccccc32)c1 77245691 ALTFIKUQZXHVCK-UHFFFAOYSA-N 292.382 3.878 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H](C)CSC)c1 77442279 IQGFMNYGQXIQBL-LBPRGKRZSA-N 294.420 3.515 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)C1CC=CC1 77743115 DDYFIBUASJMULK-GFCCVEGCSA-N 286.400 3.843 30 20 CHED CCN(Cc1cccc(C#N)c1)[C@H](C)c1cccc(O)c1 80933240 OKERUXAQKOFNAD-CQSZACIVSA-N 280.371 3.847 30 20 CHED CC[C@@]1(C)CCCN(C(=O)/C=C/c2ccccc2C#N)C1 81320453 AVJZVJOEDLFINE-BBVFFXRHSA-N 282.387 3.610 30 20 CHED Cc1ccc([C@H](NC(=O)c2cc(C#N)cs2)C2CC2)cc1 84073450 CJEJSWFKIXSBGH-INIZCTEOSA-N 296.395 3.809 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)Sc1ccccc1Cl 84710398 LJUPQXQZEGWXFL-NXEZZACHSA-N 283.780 3.666 30 20 CHED CCCc1nsc(N[C@@H](C)c2ccc(C#N)cc2)n1 87640742 VGRKTCPGUUUPEX-JTQLQIEISA-N 272.377 3.535 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)c1cccc(N2CCCC2)c1 88759017 IYKAPVOOAPZGHH-CQSZACIVSA-N 292.386 3.727 30 20 CHED C/C(=C/C(=O)Nc1ccccc1C#N)c1ccc(F)cc1 102831175 VXTRMJZZQUFHHJ-BENRWUELSA-N 280.302 3.739 30 20 CHED C[C@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])cc1C#N 105990201 LMPQIEMJJOVXMA-SNVBAGLBSA-N 287.344 3.725 30 20 CHED C=CC1CCN(C(=O)Nc2cc(F)ccc2Cl)CC1 111751157 YWDMMANDFRJUSJ-UHFFFAOYSA-N 282.746 3.909 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)CC1CCCCC1 114322744 UFUBLJZMFZUFNK-BBRMVZONSA-N 264.413 3.647 30 20 CHED O=C(/C=C/c1cccc(Cl)c1Cl)c1cnccn1 115962535 FNIAFLBTPDCREM-SNAWJCMRSA-N 279.126 3.680 30 20 CHED C=CCOc1cccc(N[C@H](C(=O)OC)c2ccccc2)c1 117938291 NUSKRSBIUYXHRX-KRWDZBQOSA-N 297.354 3.578 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1C#N 120247287 DCMVAORLIBZCCR-OAHLLOKOSA-N 289.354 3.740 30 20 CHED C=CCC[C@@H](NCCc1ccc(NC(C)=O)cc1)C1CC1 120948246 LCTOVTCPDNAFOA-GOSISDBHSA-N 286.419 3.522 30 20 CHED CCc1noc([C@H](C)O/N=C(/C)c2cc3ccccc3o2)n1 123240697 QNFLOPPABRAOMH-TZQXVGBESA-N 299.330 3.880 30 20 CHED COc1ccc(CN2CCC(C#N)CC2)c2ccccc12 123775713 DMUHUCYYGZGKKL-UHFFFAOYSA-N 280.371 3.584 30 20 CHED CCCC[C@H](CC)C(=O)N(C)c1ccccc1C#N 127475702 NHLVZAUMFRLMNA-ZDUSSCGKSA-N 258.365 3.737 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccccc1Cl 128595893 FNWNCIOWPAPYJX-MNOVXSKESA-N 266.772 3.617 30 20 CHED CSc1cncc(N[C@H](CCC#N)c2ccccc2)n1 132851402 DKZCBFXTRHQYQI-CYBMUJFWSA-N 284.388 3.655 30 20 CHED N#Cc1ccc(C(=O)COc2ccc(Cl)c(F)c2)cc1 133328944 LVYKWXKCGYFXNB-UHFFFAOYSA-N 289.693 3.612 30 20 CHED C=CCC[C@@H](NC(=O)c1ccco1)c1ccccc1 133948932 LRVAAINSJFWEJD-CQSZACIVSA-N 255.317 3.717 30 20 CHED COc1cccc([C@H](C)NCc2ccc(C#N)cc2F)c1 148338006 SPKAUVNYLIRBIJ-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1C(C)C 150735476 CFXGOQVVKUAVQN-UHFFFAOYSA-N 258.365 3.735 30 20 CHED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1cncc(F)c1 150947727 PKWQJIKITJCGIR-OWOJBTEDSA-N 281.208 3.534 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)nc1C 152339398 JYLJYMRVYFNTKK-UHFFFAOYSA-N 295.386 3.919 30 20 CHED C=C(C)CNC(=O)C1(c2ccc(C)c(OC)c2)CCCC1 153035190 WORNWYFIFDXRSA-UHFFFAOYSA-N 287.403 3.508 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H](C)CC)c1ccccc1 156118971 DHCVTXKYRREPLJ-ZFWWWQNUSA-N 260.381 3.792 30 20 CHED CCCOc1ccc(NC(=O)N[C@H](CC)CC#N)c(C)c1 157249186 YFAYSHOCJKZDJE-CYBMUJFWSA-N 289.379 3.598 30 20 CHED C=CCOc1ccccc1CNC(=O)C(C)(CC)CC 159013795 HATUSNWBTRNXFL-UHFFFAOYSA-N 275.392 3.694 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccc(F)c(C)c1 171460552 UNFDJNXTJJSVRD-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CCCCC1CCC(NC(=O)N2CCC(C#N)CC2)CC1 171661804 GATDNLPBLQLSMX-UHFFFAOYSA-N 291.439 3.681 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1ccc(C#N)cc1 171947747 LFIFTFYHUPFTJO-UHFFFAOYSA-N 296.414 3.696 30 20 CHED CCc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1 172032128 SJADYBGGPPKZRR-INIZCTEOSA-N 298.773 3.897 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)NC1(C#N)CCCCC1 172287511 UUJAGEJGHTZBHF-HNNXBMFYSA-N 284.403 3.831 30 20 CHED N#CCN(C(=O)/C=C/Sc1ccccc1)C1CCCC1 172455756 CZHFAQCAAOHLNM-JLHYYAGUSA-N 286.400 3.587 30 20 CHED C#CCCCNC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 174082656 SLWFEQPVIWKROD-UHFFFAOYSA-N 299.201 3.548 30 20 CHED C[C@H](Nc1c(F)cc(C#N)cc1F)c1cccc(O)c1 174718444 XLXWWLJDGPTSMF-VIFPVBQESA-N 274.270 3.715 30 20 CHED COc1c(C)ccc(NCc2ccc(F)c(C#N)c2)c1C 176964089 ILWFKNMOJMYUPL-UHFFFAOYSA-N 284.334 3.935 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 178053690 UKBCLBUAACNUNW-JKSUJKDBSA-N 279.811 3.804 30 20 CHED CCCOc1ccc([C@@H](C)NCCCCC#N)cc1 178649644 IRSWEKSBQVVZQC-CQSZACIVSA-N 260.381 3.820 30 20 CHED N#CCCCCNCc1cc(F)cc(C(F)(F)F)c1 178788760 YWCUIDHFKQUXMP-UHFFFAOYSA-N 274.261 3.628 30 20 CHED C[C@H]1CCC[C@H](C)C1NCc1ccc(OCC#N)cc1 180554606 KOHPTZDNSKQLHI-KBPBESRZSA-N 272.392 3.503 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)c(OCC(F)F)c1 181680312 NZZFWOCUQLXPSQ-UHFFFAOYSA-N 298.333 3.679 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cccc(F)c1 182553311 SPCPWIPJPLLIEK-GFCCVEGCSA-N 270.307 3.729 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCC(=O)c1cccs1 182654987 BNYAHFWHNCRGQN-GFCCVEGCSA-N 279.405 3.572 30 20 CHED COc1ccc([C@H](NCCCCC#N)C(F)(F)F)cc1 183402305 VMJSTLRCSOYXSB-ZDUSSCGKSA-N 286.297 3.582 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccccc1Cl 184907345 HHDSONYWFGAQQH-LBPRGKRZSA-N 263.768 3.711 30 20 CHED CC(C)C(=O)Nc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 185724769 PZIGMCGELXDBIT-KBPBESRZSA-N 285.391 3.775 30 20 CHED CC(C)c1ccc(OCCN[C@@H]2CCC[C@@H](C#N)C2)cc1 185791627 BRDMUCYXOLOUMK-NVXWUHKLSA-N 286.419 3.861 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)[C@@H](C)Cc1ccsc1 186294129 PMNLEYBBECYCHD-KBPBESRZSA-N 295.448 3.509 30 20 CHED O=C(/C=C/c1csnn1)c1cc2ccccc2s1 187231009 AJUCHSAHITYFKM-AATRIKPKSA-N 272.354 3.649 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1cc(C)sc1C 188161759 XVTKUSVZQCPPEJ-WBMJQRKESA-N 295.448 3.771 30 20 CHED Cc1ccc(-c2nnc(S[C@@H](C)CCC#N)n2C)cc1 188203653 KSNWMYCNVQKYPS-LBPRGKRZSA-N 286.404 3.575 30 20 CHED C[C@H](CCC#N)Sc1nc2c(cc1C#N)CCCC2 188283240 PRFJNHXQTZNTLC-LLVKDONJSA-N 271.389 3.616 30 20 CHED C=CCC1(C(=O)NCc2ccc(OCCC)cc2)CCC1 188873414 RAITUGSCCVAAKM-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)c(OC)c1 189428892 LRHMTFLLRSOYIA-UHFFFAOYSA-N 263.312 3.541 30 20 CHED Cc1nnc(SCc2ccccc2Cl)c(C#N)c1C 193053064 SAXRWLUDTMDIDC-UHFFFAOYSA-N 289.791 3.911 30 20 CHED N#CCc1ccc(NCCCc2ccc3c(c2)CCO3)cc1 193313968 WYEKCJYTVJNGFX-UHFFFAOYSA-N 292.382 3.732 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Oc1cccc2ccccc12 194836624 FEKISZRGXZIDLB-AWEZNQCLSA-N 283.371 3.642 30 20 CHED Cc1c(Cl)cccc1C(=O)[C@@H](C#N)c1ccccn1 195206758 OXRRUQUPCIUPEG-LBPRGKRZSA-N 270.719 3.534 30 20 CHED N#Cc1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)cc1 216269011 WZZMLDQQRNEMGD-UHFFFAOYSA-N 296.292 3.865 30 20 CHED N#Cc1ccc(NC2CC=CC2)cc1C(F)(F)F 228334200 MROXDTNOWFUJJF-UHFFFAOYSA-N 252.239 3.708 30 20 CHED C=C(Cl)CNCc1ccc(Br)c(Cl)c1 236020137 VNEAMVGZDKKJLM-UHFFFAOYSA-N 295.007 3.945 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H]1c1cccc(Cl)c1 246054304 VDBCLLLKSXQVTD-CVEARBPZSA-N 279.811 3.804 30 20 CHED CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H](C#N)C1 248908225 VBNWAMFUTVIBDB-BRWVUGGUSA-N 256.393 3.680 30 20 CHED N#CCOc1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 252454583 HFOVQAHRYYLVKG-CAXGVCPASA-N 282.387 3.826 30 20 CHED CC(C)c1nc(C#N)c(NN=C/C=C/c2ccccc2)o1 254489803 ZYXPDZCAJQKANO-LLMQNPFWSA-N 280.331 3.781 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccccc1F 254991067 ZSCWBFBXKKRYQS-ALCCZGGFSA-N 268.287 3.657 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(F)c(C#N)c2)c1 255140842 DHJVPDOFNONJFH-UHFFFAOYSA-N 284.290 3.552 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)c(F)c1)c1ccco1 255320096 WAUKEOZCAOMYIK-HYXAFXHYSA-N 282.217 3.916 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C(/C)c1ccccc1Cl 255372461 ODXSWGZFZXHQIQ-IEHMKBBKSA-N 263.724 3.589 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccsc2)cc1 255532217 JTZLDLKZXMABLG-YVMONPNESA-N 257.358 3.710 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1ccccc1SC(F)F 263657970 ITQDQAUVYQVLLC-VIFPVBQESA-N 299.346 3.625 30 20 CHED C=C1CCN(C(=O)c2sc(C)nc2-c2ccccc2)CC1 264469006 IOJFZHJCCQLKNX-UHFFFAOYSA-N 298.411 3.911 30 20 CHED C=C1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)CC1 266875871 ZBOWBAIARZWAGH-AWEZNQCLSA-N 275.367 3.573 30 20 CHED CC(C)(C)c1cnc(CNc2ncc(C#N)cc2Cl)o1 267078138 RTWABJYDOOSBMM-UHFFFAOYSA-N 290.754 3.504 30 20 CHED C=CCCCC(=O)N(CCOC)[C@H](C)c1ccccc1 267255011 ZZGJZTKPXVCSQA-OAHLLOKOSA-N 275.392 3.579 30 20 CHED C[C@H](NC[C@@]1(C)CCCS1)c1ccc(C#N)c(F)c1 271979069 WRKDKHGBCDPKMM-XHDPSFHLSA-N 278.396 3.634 30 20 CHED C=CCCN(C)C(=O)Nc1c(CC)cccc1CC 275983764 BSXDQHRGMFUOIW-UHFFFAOYSA-N 260.381 3.851 30 20 CHED N#Cc1cc2c(nc1S[C@H]1CC[C@@H](C#N)C1)CCCC2 278511768 FHDLPTYOSNRRDG-RISCZKNCSA-N 283.400 3.616 30 20 CHED C=CC[C@H]1N(C(=O)CC(C)(C)C#N)CCCC1(C)C 278865281 UTCVGQUAHLTFJR-CYBMUJFWSA-N 262.397 3.520 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 279592285 OJPLBZGQTHIIOR-KBPBESRZSA-N 297.402 3.554 30 20 CHED C=CCC[C@H](C)Nc1ccc(C(=O)N2CCCC2)cc1 280824735 VVLUCAIUCLIHCR-AWEZNQCLSA-N 272.392 3.689 30 20 CHED Cc1cc(F)ccc1NCCCC1(C#N)CCOCC1 280980630 IJIHBKFQBHPFRC-UHFFFAOYSA-N 276.355 3.647 30 20 CHED CC(C)(C)CS[C@H]1CCN(c2sccc2C#N)C1=O 281400751 FKOXKZGLYBBCTC-NSHDSACASA-N 294.445 3.504 30 20 CHED C=CCC[C@H](Nc1ccc(CCO)cc1)c1ccco1 286051944 KFFYPGLEUWBEDT-INIZCTEOSA-N 271.360 3.934 30 20 CHED CC#CCCCc1nc(-c2ccccc2OC(F)F)no1 289021234 PFYUYFLZDVRIFT-UHFFFAOYSA-N 292.285 3.684 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2sccc2C)no1)OCC 289964980 YNPVRNPIJWSIRJ-LLVKDONJSA-N 278.377 3.630 30 20 CHED C[C@H](SC[C@@H]1CCC[C@H](O)C1)c1ccc(C#N)cc1 291817645 DPDMWXXLJRHWOY-BJJXKVORSA-N 275.417 3.904 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 294362924 GJKWTYXWOYIXRG-ZDUSSCGKSA-N 275.392 3.863 30 20 CHED Cc1noc(C)c1C[C@H](C)Nc1ccc(Cl)cc1C#N 301390815 ZJWKDGOGKSQJAK-VIFPVBQESA-N 289.766 3.860 30 20 CHED N#Cc1cccnc1Oc1cccc2c1CCCC2 301561174 UKBTYWVYRDSDMP-UHFFFAOYSA-N 250.301 3.624 30 20 CHED C=CCNc1cnc2cc(Cl)c(Cl)cc2n1 302081095 IZVZCSJEHAVTLL-UHFFFAOYSA-N 254.120 3.535 30 20 CHED N#Cc1c(NCc2ccc3ccccc3c2)nc2ccccn12 302088107 LBDLVSDDAJEANB-UHFFFAOYSA-N 298.349 3.971 30 20 CHED CC1(C)CCN(c2cc(C#N)ccc2C(F)(F)F)C1 302259254 BVNBVWDHKGSGKS-UHFFFAOYSA-N 268.282 3.813 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]3OCCC[C@H]23)c(C(F)(F)F)c1 302528323 DPDZWJQKPUCQSS-LERXQTSPSA-N 296.292 3.556 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)c1c(C#N)cccc1C#N 302876551 GCTPAJJQNGKSIX-UHFFFAOYSA-N 299.736 3.859 30 20 CHED CO[C@](C)(CNc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 313924607 BOPOWVXFEQKPHS-CQSZACIVSA-N 298.308 3.804 30 20 CHED N#Cc1ccc(NCc2coc3ccccc23)c([N+](=O)[O-])c1 316103063 CJWSZTUBIMSQDF-UHFFFAOYSA-N 293.282 3.825 30 20 CHED CCC[C@@H](NCc1ccc(OCC#N)cc1)C1CCC1 324941760 QUDJJGWQSRTRFU-QGZVFWFLSA-N 272.392 3.647 30 20 CHED CC[C@H](/N=C(/O)c1csc(C(C)(C)C)n1)[C@H]1CCCO1 330471489 CRQNEEMFMFWWIY-CMPLNLGQSA-N 296.436 3.703 30 20 CHED CCc1nc2cc(N=C(O)N(C)CC(C)(C)C)ccc2o1 330804301 GQCGLMDKKXWZTI-UHFFFAOYSA-N 289.379 3.914 30 20 CHED CCc1nc(C)c(C(O)=Nc2cn(C)nc2C(C)C)s1 331141620 XNIFYLUIBFBDPH-UHFFFAOYSA-N 292.408 3.507 30 20 CHED COc1cccc(C)c1N/C(O)=N/[C@@H]1CC[C@H](C)C1 331318080 GXWQZLMTEDNGHM-CMPLNLGQSA-N 262.353 3.518 30 20 CHED CC1(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)CCCCCC1 331486072 KDANOGXVJWAWES-GJZGRUSLSA-N 291.439 3.728 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 331981526 MOWPHCKCOHIWQG-IJEWVQPXSA-N 264.413 3.647 30 20 CHED CC(C)[C@@H]1CCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC1 332238131 SMYZNFBJLGLQIO-NVXWUHKLSA-N 299.418 3.893 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2F)[C@H]1c1cccs1 335153639 CNKDYXAXIGEODE-ZDUSSCGKSA-N 287.363 3.741 30 20 CHED C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(CC#N)cc1Cl 335584161 PYUSEOPJHCKGLC-QWRGUYRKSA-N 291.782 3.811 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)c1c(F)cncc1F 336380451 RWSFXXRDSDUTJF-QMMMGPOBSA-N 277.249 3.544 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)CC#N)c1ccc(C(F)(F)F)cc1 337028344 BZEQQYJWTVKJGD-QWRGUYRKSA-N 298.308 3.569 30 20 CHED CC1CCC(N(C)C(=O)CSCCC(C)(C)C#N)CC1 342011392 WTKJSQNUGDYCTL-UHFFFAOYSA-N 296.480 3.697 30 20 CHED C[C@@H](NCCSCC(F)(F)F)c1cccc(C#N)c1 344308434 YNJHYJSQXQNYBZ-SNVBAGLBSA-N 288.338 3.504 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1cc(F)cc(F)c1 347301258 MBKCWXOMYNKRHD-OAHLLOKOSA-N 267.319 3.526 30 20 CHED Cc1cccc(CN(Cc2ccc(C#N)cc2)C(C)C)n1 347372024 YNLDBVSRWMUDIN-UHFFFAOYSA-N 279.387 3.672 30 20 CHED N#CCc1ccc(-c2nc(-c3ccc(Cl)o3)no2)cc1 350903551 BFIHQDPLNDLOBQ-UHFFFAOYSA-N 285.690 3.716 30 20 CHED C[C@H](C(=O)N(C)CC(C)(C)C#N)c1cc2ccccc2o1 353219801 SMZPWABBNXEQNL-LBPRGKRZSA-N 284.359 3.544 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1nc2c(s1)CCC2 355130332 ZDEMHVAOVVXKJL-NEPJUHHUSA-N 297.427 3.915 30 20 CHED C[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1C 356201891 IXXFLILKVXJDBF-BFYDXBDKSA-N 284.403 3.721 30 20 CHED C=CCN(CC[C@@H]1CCCCN1C)Cc1cccs1 356838664 DNYPXHLHTQIKTC-HNNXBMFYSA-N 278.465 3.611 30 20 CHED C=CCn1cccc1C(=O)N1CCC=C(c2ccccc2)C1 356969113 BQOBVBDCXTYZBG-UHFFFAOYSA-N 292.382 3.604 30 20 CHED C=C(C)CSCCC(=O)Nc1cc(F)cc(F)c1 357041657 QSMXPRNFNFMMKW-UHFFFAOYSA-N 271.332 3.603 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 357663105 QQJBOWGTDUTCKR-GJZGRUSLSA-N 297.289 3.574 30 20 CHED N#Cc1ncccc1NCc1ccc(C2CCC2)cc1 357681167 OFUALQZKLLXBMY-UHFFFAOYSA-N 263.344 3.833 30 20 CHED CC1(C)CC[C@@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 358894536 XMSREISUAMWRBP-CYBMUJFWSA-N 287.407 3.880 30 20 CHED Cc1cccc(Oc2ccc(NC(=O)NCCC#N)cc2)c1 362944613 OBRDWPAGZDFNRQ-UHFFFAOYSA-N 295.342 3.823 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C 374250447 SUVNRLSTFRSOAT-SJLPKXTDSA-N 283.415 3.975 30 20 CHED CC1=C(C)CN(c2cccc(Br)c2C#N)CC1 382992402 CDOMCHHNUMWUJC-UHFFFAOYSA-N 291.192 3.867 30 20 CHED N#Cc1ccc(N[C@@H](CO)C2CCCCC2)cc1Cl 386261748 MVMWWJPHTZPQIB-HNNXBMFYSA-N 278.783 3.565 30 20 CHED C=C(C)CCNCc1nc2ccccc2n1CCC 386870295 KRRIQUXEGIVOOX-UHFFFAOYSA-N 257.381 3.502 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(CC#N)cc2)[C@@H]1C 399024329 GRLKXUSRSAFFBK-CKEIUWERSA-N 256.393 3.667 30 20 CHED Cc1ccc(OCc2ccc(CC#N)cc2)cc1F 399117630 GMFBIWYHDIEOKX-UHFFFAOYSA-N 255.292 3.779 30 20 CHED Cc1cc(Cl)ccc1CNCc1ccc(C#N)c(F)c1 404659301 WHOFCTUSFSVUGS-UHFFFAOYSA-N 288.753 3.949 30 20 CHED CCCC[C@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 410006273 YXCANYJUCVZFKT-SMDDNHRTSA-N 278.783 3.847 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1CC(C)C)c1ccc(C#N)cc1 410524595 KLPQIBQHCFRCSY-GDBMZVCRSA-N 270.376 3.593 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)c1cccc(Cl)c1 410831078 XTELHSIAPFNCOO-BXUZGUMPSA-N 278.783 3.594 30 20 CHED CSCC(=O)Nc1sc2c(c1C#N)[C@@H](C)C[C@H](C)C2 410995972 DKJBLCXPBSFHQW-IUCAKERBSA-N 294.445 3.607 30 20 CHED CCN(CC#N)[C@@H](C)c1ccc(Cl)cc1Cl 411215804 SIZYTKONGXPNND-VIFPVBQESA-N 257.164 3.900 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(OCC)cc1F)OCC 412905284 HBQMNEVRRUUNTD-OAHLLOKOSA-N 295.354 3.534 30 20 CHED CC(C)(CC#N)CN[C@H]1CCSc2ccccc21 414161023 DWZWIBIJASBWBR-ZDUSSCGKSA-N 260.406 3.753 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(C#N)s1 421602247 RQUONCRLDSMLEO-ZDUSSCGKSA-N 290.432 3.842 30 20 CHED N#CCCCCN[C@@H](Cc1ccncc1)c1cccs1 424271406 OYORUCVCTMUPKK-HNNXBMFYSA-N 285.416 3.710 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(CCOCC)CCCC1 424732083 PUYRPUCTEVJKNH-UHFFFAOYSA-N 281.440 3.692 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425114251 SKIMOTLBPIJFHR-IAOVAPTHSA-N 284.403 3.760 30 20 CHED C=CC[C@@H](NCc1ccc(-c2ccc(CC)cc2)o1)C(=O)O 426813845 ZZERRJPVYMOTPJ-MRXNPFEDSA-N 299.370 3.628 30 20 CHED CSCC[C@@H](C)N(C)CC#Cc1ccc(Cl)cc1 426995772 UECAHZGYHBZKBP-CYBMUJFWSA-N 281.852 3.765 30 20 CHED C=CCN1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 428920914 AQFOGMRTUBGLQM-FZMZJTMJSA-N 285.309 3.653 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1OCC(F)F 439449101 IKFLQIXVFNQYKW-LLVKDONJSA-N 298.333 3.807 30 20 CHED C[C@H]1CC[C@@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)C1 443508055 JLDWEWWJNVQODW-VHSXEESVSA-N 283.297 3.597 30 20 CHED COc1ccc(Cl)c(CN2CCCC(C)(C)[C@H]2C#N)c1 444714659 AWROBXGRELKESA-OAHLLOKOSA-N 292.810 3.863 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N[C@@H](C)c1ccc(C#N)cc1 448664225 LIVISJKDMLQGEK-CMPLNLGQSA-N 298.308 3.714 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N[C@](C)(C#N)C(C)C 449232967 JWQSEASFPCCMDB-DZGCQCFKSA-N 252.402 3.503 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N[C@@](C)(C#N)C(C)C 449232971 JWQSEASFPCCMDB-ZFWWWQNUSA-N 252.402 3.503 30 20 CHED CC[C@@H](CC#N)NC1CCC(OC2CCCC2)CC1 449241651 BUCYVLTZERWDPU-HLIUYOAVSA-N 264.413 3.539 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OC2CCCCC2)cc1 449874615 BRWWUZNPXGAGIU-UGSOOPFHSA-N 298.386 3.886 30 20 CHED CC(C)CC(C)(C)CNC(=O)[C@@]1(C#N)CC12CCCC2 450070018 WDZJWOSTNIWDGM-KRWDZBQOSA-N 276.424 3.649 30 20 CHED CC(C)[C@H](Nc1nccc(C#N)n1)c1ccc(Cl)cc1 450235255 XAMSSUQMGIZIDK-AWEZNQCLSA-N 286.766 3.811 30 20 CHED N#C[C@@H]1N(CCC2=CCCCC2)CCC[C@@]12CCCCO2 450881427 MDCMZPKDUXXGTE-ROUUACIJSA-N 288.435 3.804 30 20 CHED CC(C)O[C@H]1C[C@@H](NCCCCC(C)(C)C#N)C1(C)C 451505500 SUGQPKYZNUVVSC-CABCVRRESA-N 280.456 3.888 30 20 CHED C=CC(C)(C)CNC(=O)c1oc2ccc(F)cc2c1C 452773293 ANVFLTJGQXCFRT-UHFFFAOYSA-N 275.323 3.822 30 20 CHED Cc1ccc([C@H](c2noc([C@]3(C#N)C[C@H]3C)n2)C(C)C)cc1 453187672 ZHABTTOKDOANHX-SIIHOXLZSA-N 295.386 3.967 30 20 CHED C=CC(C)(C)CN[C@H]1CCN(C)[C@@H](c2ccccc2)C1 453302755 AVGVFZMRAXAJIB-DLBZAZTESA-N 272.436 3.624 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(Cl)s1 453369958 VDPFYMXKLLVIFM-AXFHLTTASA-N 271.813 3.786 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 454493019 ADPNYHDBADXSOD-CVEARBPZSA-N 272.392 3.588 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](C)CCCC(F)(F)F 454853115 FHMCLHYWOFOQQW-SNVBAGLBSA-N 280.334 3.619 30 20 CHED C=C(CC)CNC(=O)Nc1c(C)cc(OC)c(C)c1C 455410813 ACBJXZHCIBUKPE-UHFFFAOYSA-N 276.380 3.708 30 20 CHED CC(C)CN(C)C(=O)Nc1ccc(CC#N)cc1Cl 455696321 CFNMFHZLHGDJPE-UHFFFAOYSA-N 279.771 3.526 30 20 CHED CCSCc1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1 455850454 BSKWHRCLCKVNBQ-GFCCVEGCSA-N 291.420 3.563 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cccc(CC#N)c1 456749594 KZKXFWVCGUBTHE-GFCCVEGCSA-N 258.365 3.763 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2=CC[C@H](C)CC2)c1 456974656 XWIVSBQCFIFVMK-NSHDSACASA-N 254.333 3.552 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 459660039 AQDVAQHUOFHUSZ-HZPDHXFCSA-N 274.383 3.991 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C)(C)CC=C 460021383 OPAUMLGTWWUTBI-UHFFFAOYSA-N 275.367 3.943 30 20 CHED C[C@H](C(=O)NCc1cccc(Cl)c1)c1cccc(C#N)c1 461731083 VBVIEIWQOLUQSI-LBPRGKRZSA-N 298.773 3.632 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2c(ccn2CCC)c1 465244566 LCMIBGUOTRFYII-LBPRGKRZSA-N 271.364 3.747 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@](C)(CC)C1 466317262 IUKXJUAWIKCGGR-DZGCQCFKSA-N 252.402 3.563 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OCC(F)F)cc1 466391603 HSWRCTZLQGMATM-LLVKDONJSA-N 298.333 3.807 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[C@H]1C 466712144 WMHKLQZKOVWHBV-ZIAGYGMSSA-N 292.448 3.882 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCOc2c(CC)cccc21 467945794 NOHXXGCBFVJMFX-YJBOKZPZSA-N 287.403 3.791 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)s1)c1cc2ccccc2o1 468294917 HCQXNAZKDRKSDQ-SNVBAGLBSA-N 296.351 3.857 30 20 CHED C=CCCCCNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F 471677120 NVNSPMOORBMIGU-NWDGAFQWSA-N 277.330 3.828 30 20 CHED C=CCCCCNC(=O)N1CCC(CC)(CC)C1 472842430 TVYAYLTWTAAGGM-UHFFFAOYSA-N 252.402 3.564 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC12CCCC2 474276762 XQPVGSLOYMWDBA-QGZVFWFLSA-N 296.414 3.876 30 20 CHED Cc1cc(O[C@@H](C)c2ccc(C#N)cc2)ccc1C#N 478820990 FYZZPUFIOHTPID-ZDUSSCGKSA-N 262.312 3.878 30 20 CHED C=CCC1(C(=O)NCc2ccc(OC(C)C)cc2)CCC1 478888797 MXALJDNBACOVJS-UHFFFAOYSA-N 287.403 3.836 30 20 CHED CC(C)C[C@@H](NCc1cc(C#N)n(C)c1)c1cccs1 480670962 ZKOXHAXCUGRAKY-OAHLLOKOSA-N 287.432 3.835 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1 481052786 ZJYHZUZURLPEFA-YGUOUDRMSA-N 283.762 3.965 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@@H]1C 483674630 YBJWMUAJZDCODO-HOCLYGCPSA-N 278.440 3.953 30 20 CHED N#Cc1ccc(/C=C/c2cc(F)cc(Cl)c2)nc1 485403014 VVXLLRWGGHTBDM-HNQUOIGGSA-N 258.683 3.916 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2ccccc2n1CC 488877425 ZKVFABULRIHUAH-OAHLLOKOSA-N 282.387 3.842 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 489471256 GUUDDCMGWBJRBR-CQSZACIVSA-N 292.329 3.700 30 20 CHED C=CCn1cccc1C(=O)N(Cc1cccs1)C(C)C 490073392 QHXXPTNQSXGBAL-UHFFFAOYSA-N 288.416 3.786 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(C)ccc1C 490138832 HLSIYKNRQZCQLZ-UHFFFAOYSA-N 254.333 3.543 30 20 CHED CC[C@H]1C[C@@]1(NCc1cc(C#N)n(C)c1)c1cccc(C)c1 500480965 IAVLFYRQLOFUEV-LPHOPBHVSA-N 293.414 3.620 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CCC)CC1CCCCC1 502158190 YLVTYRWWEOUYSG-HNNXBMFYSA-N 281.440 3.787 30 20 CHED Cc1cccc(C)c1OCCN(C)Cc1cccc(C#N)c1 506368531 BOTSCTAKCKBTCM-UHFFFAOYSA-N 294.398 3.686 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@H]1C[C@@H]1c1ccccc1 507213184 PVPRVDGTYLRVSC-RTBURBONSA-N 276.383 3.794 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc3c(c2)OCCO3)n1 508653403 SMQCELDOHSKYJH-VMPITWQZSA-N 298.342 3.520 30 20 CHED CSc1ccc(N(C)C(=O)c2cccc(C#N)c2C)cc1 509430600 MQJWSIVGIYUJBJ-UHFFFAOYSA-N 296.395 3.865 30 20 CHED C[C@@H](C#N)CN(C)Cc1cccc(-c2ccccc2)c1 509815216 QXHBDPDGHVONEH-HNNXBMFYSA-N 264.372 3.945 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 510584129 ZIWKDKJIKFXCAK-CABCVRRESA-N 266.429 3.809 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H]1CCCN1C1CCCCC1 511806049 HWYMJPSJUWCPBQ-MRXNPFEDSA-N 292.467 3.502 30 20 CHED CC[C@@H](C)CCC(=O)N[C@@H](C#N)c1ccccc1Cl 512280850 XYMCEILREPYLAU-RISCZKNCSA-N 278.783 3.847 30 20 CHED C=C(CNC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 512661371 ROTFXWQFAJCYQH-RHSMWYFYSA-N 286.419 3.920 30 20 CHED N#CC1(C(=O)NCc2ccc(-c3ccccc3)o2)CCCC1 512703218 BEDRTIQQVVVLMO-UHFFFAOYSA-N 294.354 3.647 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](C)[C@H](C)CC)c1 512723713 XBNFBPBPOXXPAQ-OLZOCXBDSA-N 276.380 3.808 30 20 CHED C=CCOc1ccc(CNC(=O)Nc2ccccc2C)cc1 513590747 YLGJSMSETWEKPE-UHFFFAOYSA-N 296.370 3.882 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H]1Cc1ccccc1 514189433 HUGJWQBNYPRNNK-GUYCJALGSA-N 293.326 3.510 30 20 CHED N#Cc1ccc(OCCOc2ccc(Cl)cc2)cc1F 521331626 JQAJXFFENLJYGI-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1OCC(C)C 523982740 HUSYKWPDFAIWHS-CYBMUJFWSA-N 276.380 3.808 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccccc1COC(C)C 525954057 XIZOOZHCIVFQEI-GOSISDBHSA-N 289.419 3.830 30 20 CHED COCc1ccc(N[C@H]2CCc3ccccc32)cc1C#N 529642135 FHJDQRIKFPJUAQ-SFHVURJKSA-N 278.355 3.804 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCCC[C@H]1SCC)OCC 534413191 CRCMCNAOROXUPS-QLFBSQMISA-N 299.480 3.538 30 20 CHED CCC(CC)SCc1cccc(C(=O)OC)c1C#N 535923470 RJARFSKFONOVIK-UHFFFAOYSA-N 277.389 3.767 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(Cl)c(Cl)c1 537097394 NCYBPECNZMXRBX-MNOVXSKESA-N 288.218 3.829 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)C[C@@H](C)CC 537266628 HTPFFOYLWPWUIF-KBPBESRZSA-N 254.418 3.809 30 20 CHED C[C@H]1C[C@@H](C)CN(C[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)C1 538396968 KIMYYBLZLGATJV-YVSFHVDLSA-N 299.462 3.575 30 20 CHED Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1F 539368511 AZORFYBOWNRXKV-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1csc(CN2CCCc3c(F)cccc32)c1 543739262 SRWVNFIZEHNILC-UHFFFAOYSA-N 272.348 3.712 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H]2C(C)C)c1C#N 544065974 FOUIRMHHZHZEHN-CYBMUJFWSA-N 263.772 3.540 30 20 CHED CCSc1cccc(CN(CCC#N)C(C)C)c1 545328778 QKQDXLIPWCSCKN-UHFFFAOYSA-N 262.422 3.923 30 20 CHED C[C@H]1CN(CC#Cc2cccc(Cl)c2)CCC1(F)F 554945215 DQALMDYIEVEFSG-LBPRGKRZSA-N 283.749 3.669 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1CC#N 559244820 ACZQDBXPALFUAG-KGLIPLIRSA-N 296.395 3.865 30 20 CHED CCCN(CC1CCCCC1)C(=O)[C@@](C)(C#N)CC 565324089 RHYGPQISQGDTKE-MRXNPFEDSA-N 264.413 3.745 30 20 CHED Cc1cc(OCc2ccc3ncccc3c2)ccc1C#N 568349470 IYQMTIGYRAZKQQ-UHFFFAOYSA-N 274.323 3.994 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(-c2csc(C)n2)cc1 572346047 VWFHUZAUBIEZNA-AWEZNQCLSA-N 299.399 3.541 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 573753332 XGRWXPZMXUPWRA-GZBFAFLISA-N 288.391 3.653 30 20 CHED N#Cc1c(N[C@@H]2CCC[C@H](F)C2)nc2cc(Cl)ccn12 574914081 XXNYIXPMIRZMHS-WDEREUQCSA-N 292.745 3.552 30 20 CHED C=CCOc1ccccc1-c1nc(-c2ccoc2C)no1 574947154 PJZMQGIELRUNKS-UHFFFAOYSA-N 282.299 3.870 30 20 CHED C=CCCC1(c2nc(Cc3ccccc3OC)no2)CC1 576333969 BIMGPHOQHPXVKH-UHFFFAOYSA-N 284.359 3.667 30 20 CHED C[C@H]1CCC[C@H](C)C1NCc1ccc(F)cc1C#N 577202751 KHFMFHCFOXVMFW-RYUDHWBXSA-N 260.356 3.612 30 20 CHED CCC[C@H](C)[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1Cl 582551085 LTWFLKCJLCPOOI-MKBNYLNASA-N 294.826 3.659 30 20 CHED CC#CCCCc1nc(-c2ccc(Cl)cc2F)no1 582621833 TVKIXSQSKPBQEK-UHFFFAOYSA-N 278.714 3.875 30 20 CHED CC#CCN(C)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 583046382 OUADQDLITUSLTQ-HNNXBMFYSA-N 271.404 3.785 30 20 CHED C=CCN(CCc1cccc(C)n1)Cc1cccs1 584050907 UZEIAIUSSZWYKU-UHFFFAOYSA-N 272.417 3.682 30 20 CHED CCOc1ccc(CN(C)C(=O)CCCCCC#N)cc1 588149398 CKZYGVMJCUZVPB-UHFFFAOYSA-N 288.391 3.518 30 20 CHED Cc1cc(C)cc(C[C@H](C)NC(=O)CCCCCC#N)c1 588159291 KCCBARHJLLSZSF-INIZCTEOSA-N 286.419 3.825 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2ccccc2C)cc1 588419541 UMRHBJFRUOTHEB-XFXZXTDPSA-N 279.339 3.850 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)c2ccccc2n1)C1CCCC1 589042318 CRRPAWRIZPJIRD-GFCCVEGCSA-N 293.370 3.871 30 20 CHED Cc1noc(CCCS[C@H](C)c2cccc(C#N)c2)n1 592454586 HFVYRRLLKFUVQW-LLVKDONJSA-N 287.388 3.677 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(C)=C(C)C1 592587644 NXOPIKOXMWXBAE-CQSZACIVSA-N 284.359 3.642 30 20 CHED CCc1nc2ccc(NC(=O)C3(C#N)CC(C)C3)cc2s1 592842274 COCSFHDZOPCUJK-UHFFFAOYSA-N 299.399 3.737 30 20 CHED N#Cc1ccc(SCc2cc3n(n2)CCCC3)c(F)c1 593422323 HHBXCVGRNHKXMP-UHFFFAOYSA-N 287.363 3.522 30 20 CHED C[C@H](NC(=O)CCCCC#N)c1cc2ccccc2o1 593955785 VXXZTHLIRUXFEI-LBPRGKRZSA-N 270.332 3.694 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(C)[C@H](C#N)CC 594090890 XQSRUFNHLBZOSV-GJZGRUSLSA-N 264.413 3.744 30 20 CHED Cc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)ccc1Cl 594202103 SPCBREVBQXJEDJ-HNNXBMFYSA-N 291.782 3.806 30 20 CHED CCc1c(NCC2(CC#N)CC2)cnn1C(CC)CC 594706656 CQGKWWGVUVGTJJ-UHFFFAOYSA-N 274.412 3.912 30 20 CHED CSCC1(CCN[C@H](C)c2ccc(C#N)c(F)c2)CC1 595065922 GUWBXOQTQXBEES-GFCCVEGCSA-N 292.423 3.881 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N(C2CC2)[C@H](C)C#N)cc1 598132686 KRQFQBCJBBFTDW-CABCVRRESA-N 298.430 3.892 30 20 CHED CCCc1sc(C(=O)N(CC)[C@@H](C)C#N)cc1CC 598355106 XINRQSALRGMPAA-NSHDSACASA-N 278.421 3.637 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)Cc2cccc(C#N)c2)C1 600225793 APYGCHALQPPOOD-UHFFFAOYSA-N 284.403 3.528 30 20 CHED CC(C)c1cnc(SCc2ccc(F)c(C#N)c2)[nH]1 600585400 OZFLNKFGAJBHST-UHFFFAOYSA-N 275.352 3.836 30 20 CHED Cn1ccc2ccc(C(=O)N(CCC#N)CC(C)(C)C)cc21 601039178 FJGNVCCCFRGHEL-UHFFFAOYSA-N 297.402 3.580 30 20 CHED COc1ccc([C@H]2CCCN2CC2(CC#N)CC2)cc1 602761208 VLZLUABPFITGMP-MRXNPFEDSA-N 270.376 3.526 30 20 CHED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N[C@H](C)CC#N 603168486 WWSQERTXWPXVCU-SNVBAGLBSA-N 299.296 3.746 30 20 CHED CC(C)[C@H](Sc1cc(C#N)ccn1)C(=O)c1ccccc1 603725038 JIJMGOMVDCSIKX-KRWDZBQOSA-N 296.395 3.953 30 20 CHED CCCN(C(=O)[C@H](C)SC)c1cc(Cl)ccc1C#N 609285524 ARYQTZQEAUDWTI-JTQLQIEISA-N 296.823 3.706 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c(C)s1 609638187 NQLYCMNQVAXFJC-INIZCTEOSA-N 290.432 3.957 30 20 CHED CC(C)CCN(CCC#N)Cc1nccc2ccccc12 611268822 QJSNHZVDTCIZFC-UHFFFAOYSA-N 281.403 3.997 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3nccc(C)c3c2)C1 617778197 AAZLCIOEENCVAX-OAHLLOKOSA-N 294.398 3.972 30 20 CHED Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c(C)s1 617985281 ITICVEFWUWAFQN-ZDUSSCGKSA-N 276.405 3.519 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc2[nH]ccc12 618742736 QXGAULUKABWALV-IBGZPJMESA-N 287.366 3.817 30 20 CHED CC1(C)CC[C@@H](N[C@H]2CCc3cc(C#N)ccc32)C1 618806744 RPKZDYHVIGXXIX-ZBFHGGJFSA-N 254.377 3.714 30 20 CHED C=CCC1(NC(=O)C[C@@H](C)C(=O)c2ccccc2)CCCC1 619108628 ZMLRDGGPCURJAA-OAHLLOKOSA-N 299.414 3.901 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2ccccc2)CCCC1 619111393 VYVKKAICFMLNKW-CQSZACIVSA-N 257.377 3.795 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnnc(-c2ccccc2)c1 620857259 UZZIBVJKYWSSST-UHFFFAOYSA-N 295.386 3.618 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC)c2ccccc12 628927483 NJBZZRMCVOYEGY-UHFFFAOYSA-N 281.355 3.981 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC(F)(F)C2)CCCCC1 649163329 YDLXDFZNHJOTKR-GFCCVEGCSA-N 271.351 3.817 30 20 CHED C=CCC1(NCc2nn(C)c3ccccc23)CCCC1 657701657 AQMZRKLBIHUAJF-UHFFFAOYSA-N 269.392 3.552 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C2CCC2)C2CC2)C1 661300870 UYCDLQOLOXFEDX-CZUORRHYSA-N 276.424 3.563 30 20 CHED C=C(CNC(=O)c1cccc2[nH]ccc12)c1ccccc1 673341581 BTAYKLSBTIXYNZ-UHFFFAOYSA-N 276.339 3.611 30 20 CHED C=CCC(CC=C)C(=O)N=c1cc(C)[nH]c2ccccc12 675218314 YNGZPPOPHUEHKX-UHFFFAOYSA-N 280.371 3.672 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 675488944 BHHDCXFLYFJKQZ-SJORKVTESA-N 298.430 3.674 30 20 CHED C=CCC[C@@H](CCC)N[C@H](C)CN1CCCCC1 675742998 CJJMICXHEWBPEC-HZPDHXFCSA-N 252.446 3.585 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(C)nn(C(C)(C)C)c1C 678881364 ICYYTHJTXLLLLF-GFCCVEGCSA-N 291.439 3.730 30 20 CHED C=C(C)CCN1CCc2[nH]c3ccc(C)cc3c2C1 681406096 SXFDRAUCFCSBEE-UHFFFAOYSA-N 254.377 3.801 30 20 CHED CCCCCCCNCc1ccc(-n2ccnc2)cc1 703709542 WULMIQKQVORSSG-UHFFFAOYSA-N 271.408 3.932 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@@H]2CCC[C@H](C)C2)c1 726455642 DLSKVFSCVOIICB-XJKSGUPXSA-N 286.444 3.875 30 20 CHED CC(=NNc1ccc(F)cc1F)c1sc(C)nc1C 726738076 PFDAEZHHQOHNFN-UHFFFAOYSA-N 281.331 3.874 30 20 CHED C(=NNCc1ccccc1)c1cnc(-c2ccccc2)s1 727256499 KRRBTMWADOHBQA-UHFFFAOYSA-N 293.395 3.934 30 20 CHED C=CC[C@@H](C)C(C)=NNC(=S)Nc1ccccc1C 727776836 INECUWGBNOZVNX-LLVKDONJSA-N 275.421 3.870 30 20 CHED C=CCCOC(=O)c1cnn(-c2cccc(Cl)c2)c1C 729072771 ZHSJKRLRAZMPQM-UHFFFAOYSA-N 290.750 3.567 30 20 CHED C[C@H](C#N)OC(=O)c1ccc(-c2ccc(F)cc2)cc1F 730057202 QFAIEUBJAZFWRU-SNVBAGLBSA-N 287.265 3.701 30 20 CHED Cc1nc2c(s1)C(=NN[C@H](C)c1ccccc1)CCC2 730946762 MFBOWIPIWAJCCI-LLVKDONJSA-N 285.416 3.843 30 20 CHED CCc1ccc(C=NNCc2cc(F)ccc2F)s1 731151129 IKNIDRBFYXPSQW-UHFFFAOYSA-N 280.343 3.712 30 20 CHED COc1ccnc(NN=C(C)CCC2CCCCC2)n1 731926286 VHEWYILTJJHXFN-UHFFFAOYSA-N 276.384 3.634 30 20 CHED CCCCC(CC)=NNc1nncc2ccccc12 732923734 IILZFOUJWPEGQZ-UHFFFAOYSA-N 256.353 3.998 30 20 CHED Cc1cccc(C=NNc2cnnc3ccccc23)c1C 733748137 IQFLXNJPCPEYLQ-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C=CCCCOC(=O)c1cccnc1SC(F)F 735526799 BBEAGXHCZKXZGC-UHFFFAOYSA-N 273.304 3.519 30 20 CHED O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cncs1 735792828 LLTOUPURFZLIKX-RQOWECAXSA-N 294.719 3.601 30 20 CHED Cc1nc(C)c(C=NNc2nc3ccccc3s2)s1 736428984 MNDMRDGBMURURK-UHFFFAOYSA-N 288.401 3.816 30 20 CHED N#CCCCCOC(=O)CCc1cc(Cl)cs1 736937267 QZRGQFTYEUYHQP-UHFFFAOYSA-N 271.769 3.571 30 20 CHED C#CCSCCNc1cc2ccccc2c(Cl)n1 739898740 DELIKIGEEJGQNB-UHFFFAOYSA-N 276.792 3.667 30 20 CHED C#CCCCNC(=O)C(C)(C)c1ccc2ccccc2c1 742786285 ZMDAEBRFCLPRJG-UHFFFAOYSA-N 279.383 3.647 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)c1 743539172 VQHYGCVNQODEFR-FLIBITNWSA-N 296.322 3.680 30 20 CHED CCC[C@H](C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 744015090 GERXCRIOOJCZJV-GXTWGEPZSA-N 266.344 3.847 30 20 CHED CCc1ccc(-c2ccc(C(=O)OCCCC#N)o2)cc1 745596303 DPGFRBYOOFIWPZ-UHFFFAOYSA-N 283.327 3.970 30 20 CHED CCCCC[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC 747536172 JOXWDRSNSWJJKP-LBPRGKRZSA-N 289.379 3.657 30 20 CHED Cc1ccc2c(C)cc(NN=C3CCO[C@H]3C)nc2c1C 747755923 XQDQHWCTPWBJTH-ZDUSSCGKSA-N 283.375 3.737 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2ccccc2Cl)o1 749452516 OKKNSYBNKYGTOO-SOFGYWHQSA-N 290.702 3.616 30 20 CHED CCCCCCCCCCC(=O)Nc1ccnn1C 749526291 SICMQTJEXGPPQS-UHFFFAOYSA-N 265.401 3.889 30 20 CHED CC(=NOCC(C)C)c1nc2ccc(Cl)cc2n1C 749626634 SVJFTFNRZJQAAM-UHFFFAOYSA-N 279.771 3.623 30 20 CHED Cc1cc(OC(=O)Cc2ccc(C#N)cc2)ccc1Cl 749785981 MLTKTUIODKWQKW-UHFFFAOYSA-N 285.730 3.668 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccccc1C1CC1 751134099 IRVRDJSISAAWEC-UHFFFAOYSA-N 280.327 3.708 30 20 CHED C=CC[C@@H](NC(=O)NCC1(C2CC2)CCC1)c1ccncc1 752670034 NZFVPWFJZLUVDR-MRXNPFEDSA-N 299.418 3.578 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])co1 752882846 OLNGKZSNNAASIT-BQYQJAHWSA-N 286.287 3.602 30 20 CHED C#C[C@@H](CC)Nc1nc(-c2cccnc2)nc2ccccc12 752928000 RQBIFXJLQTZTER-AWEZNQCLSA-N 288.354 3.516 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C=C1\CC[C@H](C)C1 753633232 UJSKZTACIXFHQX-CVCOIXHCSA-N 285.343 3.609 30 20 CHED Cc1ccnc(NN=Cc2cc(Cl)ccc2F)c1 753710717 ZUXRQTDHQJKWLR-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCC1(CC)CCN(C(=O)/C=C\c2ccccc2C#N)C1 755566818 POFWEKHVBPZCAR-KTKRTIGZSA-N 282.387 3.610 30 20 CHED COc1cccc(NN=Cc2cn(C)c3ccccc23)c1 755608681 NNJQFHYXSFASFQ-UHFFFAOYSA-N 279.343 3.633 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cc2c(s1)CCCC2 755822385 SCYCLVRKBIMGID-OAHLLOKOSA-N 279.405 3.894 30 20 CHED C=CC[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccncc1 756582060 FLDPLQFZDKAADW-LRDDRELGSA-N 286.350 3.894 30 20 CHED N#Cc1cccc(Cl)c1N1CCc2c(F)cccc2C1 756959049 ICOUAEWZCFQALZ-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C#CC[C@@H](NCc1cccnc1Cl)c1ccccc1 756997578 YCLYOIHZSMWIRI-OAHLLOKOSA-N 270.763 3.589 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cc(Cl)ccc2O)cc1 757467589 GUHLCTAJSMMJSF-ALCCZGGFSA-N 283.714 3.813 30 20 CHED Clc1csc(C=NNc2nccc3sccc23)n1 758109058 YCSIBZVVJCBITB-UHFFFAOYSA-N 294.792 3.852 30 20 CHED CC(C)CCCOC(=O)CSc1ccc(C#N)cc1 758448182 SJZBSZUWHUHSTE-UHFFFAOYSA-N 277.389 3.630 30 20 CHED CCC(=CC(=O)Nc1ccc(Cl)c(C#N)c1)CC 759131708 UXHMEUXSTQZKIT-UHFFFAOYSA-N 262.740 3.897 30 20 CHED CC(Cc1cccc(F)c1)=NNc1ccccc1C(=O)O 759196559 MOZBEAZXSBWJAC-UHFFFAOYSA-N 286.306 3.554 30 20 CHED Cc1nc(Cl)cc(NN=Cc2cc(C)sc2C)n1 760261103 ZNGOGYWJJKAKLG-UHFFFAOYSA-N 280.784 3.563 30 20 CHED CC#CCCOC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 760284137 WUIUSOFVSFBFKX-LBPRGKRZSA-N 292.762 3.506 30 20 CHED Fc1cc(F)c(NN=Cc2cnc(C3CC3)s2)cc1F 761808686 DKGMKGZMMVVGMP-UHFFFAOYSA-N 297.305 3.884 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 765837819 VHJUMCKWOMUXCF-YQVWRLOYSA-N 290.495 3.975 30 20 CHED Oc1ccccc1C=Nc1ccc(Nc2ncccn2)cc1 766283108 HLYDCHSJISBHMN-UHFFFAOYSA-N 290.326 3.676 30 20 CHED COCCON=Cc1ccc(Oc2cccc(F)c2)cc1 766456080 WEMPGPKUOGISKA-UHFFFAOYSA-N 289.306 3.615 30 20 CHED Cc1cc(/C=C2\CCc3cc(C#N)ccc3C2=O)ccc1C#N 766491986 SPOBCKBCYDJWSN-RQZCQDPDSA-N 298.345 3.951 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1ccccc1C 768188049 KMFUIYHUFGUORB-KGLIPLIRSA-N 262.349 3.580 30 20 CHED CC(C)CN(CCC#N)Cc1cccc(OC(C)(C)C)n1 768724483 DHYJAVFLWXWNHL-UHFFFAOYSA-N 289.423 3.631 30 20 CHED CCn1nc(/C=C/C(=O)c2ccc(O)cc2)c2ccccc21 769744096 UMZFCSRUAACPJP-VAWYXSNFSA-N 292.338 3.658 30 20 CHED C=CC[C@H]1N(CCCCCCO)CCCC1(C)C 769954857 XTRJWDWGWUROKW-OAHLLOKOSA-N 253.430 3.606 30 20 CHED COc1cc(C=NNc2cc(C)ccc2C)ccc1[N+](=O)[O-] 770591622 LYZIZCKXUPUNTP-UHFFFAOYSA-N 299.330 3.666 30 20 CHED C=CCC[C@@H](NC(=S)NCCC)c1ccccc1 771852344 ZOIYNRWUBJMXAM-CQSZACIVSA-N 262.422 3.568 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCC1(C)C 771965414 FGUKRRXBSRQPAA-MRXNPFEDSA-N 287.378 3.614 30 20 CHED C=C(CC)COc1ccc([C@@](C)(O)C(F)(F)F)cc1 773178287 YYLDXZAPZQFAAM-CYBMUJFWSA-N 274.282 3.801 30 20 CHED C#CCCCCC(=O)Nc1cc(-c2ccccc2F)no1 774302967 KWMHBBNTDNKVBA-UHFFFAOYSA-N 286.306 3.613 30 20 CHED CCC(CC)CNN=Cc1c(C)nn(-c2ccccc2)c1C 774472754 PMFSXUUPUHOGBT-UHFFFAOYSA-N 298.434 3.849 30 20 CHED C#CC[C@H](NCCc1ccc2c(c1)CCO2)c1ccccc1 775400411 ZXRZIKJBENFZFF-IBGZPJMESA-N 291.394 3.518 30 20 CHED C#CC[C@H](NC(=O)[C@H]1C[C@]1(C)C(C)C)c1ccccc1 775458263 AUDSPOGDINXWOC-SOLBZPMBSA-N 269.388 3.549 30 20 CHED Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cccc(C#N)c1 776155886 JBWGPVUZXRPUIT-HNNXBMFYSA-N 293.414 3.784 30 20 CHED C=CCSc1ccccc1C(=O)N1CCc2ncccc21 776873665 DVKAQNNRWDNLAA-UHFFFAOYSA-N 296.395 3.563 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)cc1 777911699 MIJFEWZEBXBPFO-CLFYSBASSA-N 285.274 3.938 30 20 CHED CC(C)C1(C)CCN(C(=O)Cc2ccccc2CC#N)CC1 779224359 AWQSWUCCYQXAAP-UHFFFAOYSA-N 298.430 3.580 30 20 CHED CCCCCCCCCNC(=O)N1CC=CCC1 779332026 XDOGFSIDJNSDBQ-UHFFFAOYSA-N 252.402 3.709 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 779890817 RQVDXDNQQIGQET-QGZVFWFLSA-N 299.414 3.595 30 20 CHED C#CCCCCCC(=O)Nc1nc2cccc(Cl)c2[nH]1 779978110 RIYFBONADXRTGS-UHFFFAOYSA-N 289.766 3.739 30 20 CHED C[C@]1(c2ccccc2)CCC(=NNc2ccccn2)C1 780196813 ALOBPJITEJXHKB-KRWDZBQOSA-N 265.360 3.991 30 20 CHED CCCCCCCCCNC(=O)[C@@]1(C)CCCOC1 781137802 JKZWLDNNKJBJGQ-INIZCTEOSA-N 269.429 3.670 30 20 CHED CC1(C)CCC[C@H]1NN=C[C@H]1CCOc2ccccc21 782290185 ZXGLDZFTBSQEFL-CZUORRHYSA-N 272.392 3.707 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCCCCCO 783562517 JRVQPBGJDBSBHM-UHFFFAOYSA-N 278.392 3.664 30 20 CHED CC/C(C)=C(/C)C(=O)O[C@@H](C)c1cccc(C#N)c1 784612124 FYOKPJOQLIIPTQ-HHQWOOOKSA-N 257.333 3.909 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(CC)(CC)SC 785599574 UZVSWWOKCFDAEH-CYBMUJFWSA-N 257.443 3.627 30 20 CHED CCc1cccc(Cl)c1C=NNc1ccc(F)cn1 788714256 SKHVUXCHYQHRIM-UHFFFAOYSA-N 277.730 3.883 30 20 CHED Fc1cccc(OC(F)(F)F)c1C=NNC1CCCC1 789003574 BAOWPKSHXOMPJV-UHFFFAOYSA-N 290.260 3.590 30 20 CHED Clc1sccc1C=NOCc1ccccc1 790153771 JRWUSUPKHAVNHG-UHFFFAOYSA-N 251.738 3.952 30 20 CHED C#C[C@@H](CCC)NC(=O)CCCc1cc(C)sc1C 791205680 VNBBESDAXCFMCT-HNNXBMFYSA-N 277.433 3.606 30 20 CHED C[C@]1(C=NNc2cccc(F)c2F)CCCS1 793014813 DSHVUVGTGNOHEW-GFCCVEGCSA-N 256.321 3.648 30 20 CHED Cc1ccc(C(=O)N(C)Cc2cccc(C)c2C)cc1C#N 794565865 BNMMCUPKAZFIED-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc(OC(C)C)cc1 795008145 WZTLMNHRTJVJJH-UHFFFAOYSA-N 287.338 3.844 30 20 CHED COCCCON=C(C)c1ccc2c3c(cccc13)CC2 795050808 ISENETQVMUPSEA-UHFFFAOYSA-N 283.371 3.716 30 20 CHED CCCc1nc(C)c(C(=O)O[C@@H](C)c2cccc(C#N)c2)o1 796548029 IRPJGVCGDLAXGD-LBPRGKRZSA-N 298.342 3.725 30 20 CHED Cc1c(C(=O)OC/C=C/Cl)sc2ccc(C#N)cc12 796614862 LRPZWULVQRICNS-GORDUTHDSA-N 291.759 3.991 30 20 CHED C=CCC(C)(C)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 796794801 FWQSZOGJIXGLCJ-LLVKDONJSA-N 277.320 3.801 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cccc(F)c2SC)c1 797857533 JCFAFBYTABUFIG-UHFFFAOYSA-N 299.370 3.806 30 20 CHED C#C[C@@H](NC(=O)N(Cc1ccccc1)CC1CCC1)C(C)C 798552038 FGXUPYMKAZCNKI-GOSISDBHSA-N 298.430 3.656 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C)CCC[C@H]2C)cc1C#N 799342882 RWAKSYQITAVKPO-TZMCWYRMSA-N 270.376 3.517 30 20 CHED Cc1cc(/C=C/C(=O)c2ccccc2C#N)ccc1C#N 799499525 MERLTCODJVPEJF-VQHVLOKHSA-N 272.307 3.634 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1c(C)cc(C)cc1O 799881950 XAVPGFBQYADYBT-UHFFFAOYSA-N 289.766 3.894 30 20 CHED Cc1ccc(-c2cncc(F)c2)cc1NCCO[C@H](C)C#N 802746334 LJPPHRMNHVYXHT-CYBMUJFWSA-N 299.349 3.537 30 20 CHED C=C(C)CCOC(=O)CSc1nccc2ccccc12 803394625 ILLHYPPEMXGNAI-UHFFFAOYSA-N 287.384 3.836 30 20 CHED Cc1cccc(C)c1CCNc1nc(Cl)c(C#N)s1 804559371 WGTAQGJXUFXLOT-UHFFFAOYSA-N 291.807 3.940 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@H](C)c1cccc(C)c1 804836171 YVRBZNBRHFLWDD-QGZVFWFLSA-N 291.394 3.761 30 20 CHED CSc1ccc(C)c(C(=O)OCCCSCC#N)c1 805387428 GALUNMVDMLQWOD-UHFFFAOYSA-N 295.429 3.521 30 20 CHED N#CCCCCCC(=O)Oc1ccc(Br)cc1 805846692 TWHQQBHOCRXJPP-UHFFFAOYSA-N 296.164 3.829 30 20 CHED CCOc1cccc(/C=C/C(=O)c2cccc(C(=O)O)c2)c1 806558865 NWMXTJMWLNALOI-MDZDMXLPSA-N 296.322 3.680 30 20 CHED CCOc1ccc(Sc2snc(C)c2C#N)cc1 807920667 KNCRXAVYPQLJKU-UHFFFAOYSA-N 276.386 3.873 30 20 CHED Cc1ccc(C(C)C)c2c1C(=O)/C(=C\c1cnccn1)CO2 809157873 OPJNQLSTHWPOKC-JYRVWZFOSA-N 294.354 3.567 30 20 CHED C=CCCCCCCCNC(=O)C1(SC)CC1 811589565 ATCWHTRZOOPGHF-UHFFFAOYSA-N 255.427 3.525 30 20 CHED N#Cc1ccc2c(c1)C(=NOCc1ccc(F)cc1)CC2 811647534 QBXNGFWSQDTKTD-UHFFFAOYSA-N 280.302 3.564 30 20 CHED CCCOc1ccc(C=NOC/C=C/Cl)cc1OC 811671587 HSSMHUAIMNDBHQ-IJMVIOGMSA-N 283.755 3.587 30 20 CHED C=CCCCCCCCNC(=O)N(C)Cc1cc(C)on1 811927866 RILPARZENZINSF-UHFFFAOYSA-N 293.411 3.651 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C(CC)CC 812003500 FHIQXGOYMQCBNN-WMLDXEAASA-N 286.419 3.827 30 20 CHED COc1ccc(F)cc1C=NNc1cc(C)cc(C)c1 812225479 ZZLJAUUMQOKJAS-UHFFFAOYSA-N 272.323 3.897 30 20 CHED C[C@@H]1CC(=NOC2CCC2)CCN1Cc1ccccc1 812235764 QDFQMRLMUJGAGL-CQSZACIVSA-N 272.392 3.596 30 20 CHED COCc1ccccc1/C=C(/C)C=NOCC(C)C 814224504 IHQMSUURZOGMOG-HPZRJRRLSA-N 261.365 3.895 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)c1cccc(C2CC2)c1 814806004 MYNNFNHYYKQIPZ-UHFFFAOYSA-N 296.330 3.703 30 20 CHED CCC(=NNc1cc(F)c(F)c(F)c1)c1ccc(F)cn1 814864114 PKLJBPIEDOLDIM-UHFFFAOYSA-N 297.255 3.864 30 20 CHED COc1cc(F)ccc1NN=C1CCC[C@@H]1C(C)(C)C#N 814915841 JUTILKWOADHSSL-LBPRGKRZSA-N 289.354 3.952 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cccc2cc[nH]c12 814917721 PJBKSOTZDPDXFU-AWEZNQCLSA-N 255.365 3.670 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C1CC[C@H]1C1CCC1 814918958 JVBMSOUDLCDGPQ-JTQLQIEISA-N 277.299 3.712 30 20 CHED Cc1cc(C=NNc2ccc(F)c(F)c2F)ccc1C#N 814945890 VOJFKVCBQRXCLX-UHFFFAOYSA-N 289.260 3.730 30 20 CHED CCCCCC(C)=NNC(=S)Nc1cccc(OC)c1 818221695 SFAKFCMPZWXZTN-UHFFFAOYSA-N 293.436 3.938 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ncc(C(C)(C)C)o1 820174099 VRKILEFGCNOCHS-UHFFFAOYSA-N 265.353 3.618 30 20 CHED C#C[C@H](OC(=O)C(C)(C)C(=C)C)c1ccc(F)cc1 821398948 VVCZMISZNQJRRR-AWEZNQCLSA-N 260.308 3.646 30 20 CHED CCc1nocc1/C=C1/C(=O)c2cccc(C)c2[C@@H]1C 834434206 DAAXCFYRLFGOBS-GYBQTFJISA-N 267.328 3.929 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1ncccc1F 834752336 NENNEVRHDALRQN-GFCCVEGCSA-N 266.360 3.758 30 20 CHED C=CCCCc1nc(C[C@]2(C)CC2(Cl)Cl)no1 834868909 CGFWKACJBICIOR-LLVKDONJSA-N 275.179 3.705 30 20 CHED CC(C)CC[C@@H]1CCC(=NNCCc2ccncc2)C1 834975693 CUOUIZPMLYEQHW-MRXNPFEDSA-N 273.424 3.806 30 20 CHED CC(=NNc1nc(-c2cccnc2)no1)[C@H]1CCCC[C@@H]1C 834983368 WTESYGSGCBAHHT-FZMZJTMJSA-N 299.378 3.746 30 20 CHED C[C@H](NC(=O)C#CC1CC1)c1ccc(F)c2ccccc12 837656025 LPALKAPLRARMHS-LBPRGKRZSA-N 281.330 3.570 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCCC1 839223900 LOWWAYLVPWDUDH-UHFFFAOYSA-N 292.310 3.809 30 20 CHED CCCCCC[C@](C)(CC)C(=O)N(C)[C@@H](C)C#N 839366795 KUGXSMPBRGRRBJ-ZFWWWQNUSA-N 252.402 3.744 30 20 CHED C=CCCN(C)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 840054096 PXUKSCHTYRPLHU-QGZVFWFLSA-N 298.430 3.596 30 20 CHED Cc1cc(/C=C2/CCc3c(Cl)cccc3C2=O)nn1C 840718633 ALVHUJMMNKSLEK-LUAWRHEFSA-N 286.762 3.594 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2ccnn2CC2CC2)c1 849244700 IRFUWYBIJDWTBJ-AATRIKPKSA-N 280.371 3.806 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCCC1(C)C 851205204 CZUBNUAKGTYAQJ-NWDGAFQWSA-N 251.370 3.684 30 20 CHED COc1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)ccc1Cl 851208625 ZYKMCUZIYBHQCD-JTQLQIEISA-N 295.766 3.834 30 20 CHED CC[C@H](C)N(CC)Cc1cc(Cl)ccc1OCC#N 852293606 PGUTVOBRXKCUAA-LBPRGKRZSA-N 280.799 3.863 30 20 CHED CCCCOc1ccccc1/C=C1\CCn2nccc2C1=O 853010110 VJXJATCZGVDJPJ-FYWRMAATSA-N 296.370 3.732 30 20 CHED CC1(C)C(=NNc2nccnc2C2CCC2)[C@H]2CCC[C@H]21 853345895 MNUKSPNBXRHFEV-QWHCGFSZSA-N 284.407 3.968 30 20 CHED Cc1nc(-c2ccc(NC(=O)C#CC(C)C)cc2)cs1 854295140 WDQBBEDXQTUGPG-UHFFFAOYSA-N 284.384 3.716 30 20 CHED C[C@@]1(C(=O)OCc2cccc(C#N)c2F)C[C@H]2CC[C@H]1C2 860188739 CUTJBVOGENLRTM-PZSREKOKSA-N 287.334 3.567 30 20 CHED C=CCCCCCCCCNC(=O)c1nn(C)cc1Cl 861728935 PZEYSVXNSYBKOD-UHFFFAOYSA-N 297.830 3.720 30 20 CHED CCN(CCC#N)C(=O)CCc1cccc2ccccc12 864975163 MIJUYZGLCAUGQD-UHFFFAOYSA-N 280.371 3.535 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1ccc(C)c(C)c1 875197949 BZMMBXREFGGCJC-UHFFFAOYSA-N 258.365 3.596 30 20 CHED N#CC1(Cc2cn(C/C(Cl)=C/Cl)nn2)CCCCC1 881429830 WICVAHLPGCSRSR-XFFZJAGNSA-N 299.205 3.614 30 20 CHED C=CCCCCN1CCC(c2nc(C)c(C)[nH]2)CC1 886660729 FBQURHYPMQPAJW-UHFFFAOYSA-N 261.413 3.562 30 20 CHED C=C1CCC(C(=O)NC(C)(C)c2cccs2)CC1 889029653 ODANSQVZOKLYRV-UHFFFAOYSA-N 263.406 3.846 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCC[C@@H](SC)C2)CC1 889038282 YGLZCIIFBNVNCL-UONOGXRCSA-N 267.438 3.523 30 20 CHED C=C1CC(c2noc([C@H](C)Oc3ccccc3F)n2)C1 896885060 PUMARKJHLHKIST-JTQLQIEISA-N 274.295 3.782 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1ccnc(Cl)c1 899366243 JFJXXQNOAKJCMR-PLNGDYQASA-N 287.750 3.553 30 20 CHED CC[C@H](NCc1ccc2c(c1)CCO2)c1cccc(C#N)c1 902787277 ZDXOYGHPDTYHHP-SFHVURJKSA-N 292.382 3.734 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 902878738 LCYBPTDOAVZHRK-NSHDSACASA-N 270.298 3.555 30 20 CHED CCCCCCCCC[S@](=O)Cc1nncs1 905221770 SGVHANYRZGCRNN-KRWDZBQOSA-N 274.455 3.537 30 20 CHED C=CCN(C(=O)CCOc1ccccc1Cl)C(C)C 915155528 VBAUAFYSUUUVCD-UHFFFAOYSA-N 281.783 3.532 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1 916042964 OQDGECGDISKUNE-AWEZNQCLSA-N 295.407 3.928 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CC)c1ccccc1OC 916496409 BSFXDHRIDGYBEL-OAHLLOKOSA-N 290.407 3.754 30 20 CHED CCCCCCCNC(=O)Nc1ccccc1OC 916645159 GDTXGWUFULZMGL-UHFFFAOYSA-N 264.369 3.787 30 20 CHED CCCCCCCSCc1cc(=O)n2ccccc2n1 917255613 AOEUCSFTXTXFIY-UHFFFAOYSA-N 290.432 3.898 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)Cc1ccccc1C 917557016 UDGLPXAPAKUHFY-YQNUULROSA-N 283.371 3.759 30 20 CHED C[C@H](NN=Cc1cccc2cccnc12)c1ccccc1 920382478 GVJKVQMNUVEUNE-AWEZNQCLSA-N 275.355 3.920 30 20 CHED C=CCCOCC(=O)O[C@H](C)c1cccc(Cl)c1 920730789 ILFVYSJLHWQJQE-LLVKDONJSA-N 268.740 3.537 30 20 CHED CCCOc1ccccc1N=Cc1cc(OC)ccc1O 920944970 XWYPUJNZJAHFAB-UHFFFAOYSA-N 285.343 3.940 30 20 CHED CC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1c(C)noc1C 925637425 LCOVJMBLVRWRNJ-GXFFZTMASA-N 263.385 3.661 30 20 CHED COc1cc(N[C@@H]2CC[C@@H](C#N)C2)cc2ccccc12 927160136 RURSTOKMSMZRFP-TZMCWYRMSA-N 266.344 3.953 30 20 CHED N#CC1(CCCCN2CC[C@@H](C(F)(F)F)C2)CCC1 930121616 QIJMUWIJNAAAIP-GFCCVEGCSA-N 274.330 3.735 30 20 CHED CC(C)(C#N)CCCCN[C@H](c1ccccn1)C1CC1 932381907 GAWDEZGAFVNFNY-INIZCTEOSA-N 271.408 3.842 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(-c2cccnc2)cs1 935909954 ZAMGQVICOFDFMT-LLVKDONJSA-N 287.388 3.746 30 20 CHED CC[C@@H](C(=O)Nc1cnc(Cl)cc1C#N)c1ccccc1 1117702495 ACSODNPDMNYIFP-CYBMUJFWSA-N 299.761 3.739 30 20 CHED C[C@@H](NC(=O)C1C[C@H]2CCC[C@H](C1)C2)c1cccc(C#N)c1 1119548272 WBWVTVDSNRTDIX-ILXRZTDVSA-N 296.414 3.952 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCCO2 1138714723 CLSLXEFOJFLJNK-UHFFFAOYSA-N 292.382 3.515 30 20 CHED Cc1ccc(CNC(=O)c2ccc(C#N)o2)c2ccccc12 1192692046 NWVZZBIIEMLOBR-UHFFFAOYSA-N 290.322 3.543 30 20 CHED N#CCc1cccc(NCc2ccnn2-c2ccccc2)c1 1202434931 AGQZFNWRXHPXEX-UHFFFAOYSA-N 288.354 3.550 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 1202790916 UVYXWFQXYWEHKZ-MRXNPFEDSA-N 297.333 3.970 30 20 CHED Cc1csc(NC(=O)NC[C@H]2CCC[C@@H](C)C2)c1C#N 1204889151 OGVFNIVFYXQUQY-PWSUYJOCSA-N 291.420 3.876 30 20 CHED N#CCc1ccc(-c2nnc(CC3CCCC3)o2)cc1 1258690546 BDEYOLIPAXYISE-UHFFFAOYSA-N 267.332 3.535 30 20 CHED N#Cc1ccc(-c2nnc(C3CCCC3)o2)cc1Cl 1261431501 DOQXKNGXIUDLRD-UHFFFAOYSA-N 273.723 3.919 30 20 CHED Cc1ccc(C2(C(=O)O[C@@H]3CC[C@@H](C#N)C3)CCC2)cc1 1263385263 NXJONYBBOLZMMT-GDBMZVCRSA-N 283.371 3.652 30 20 CHED COc1ccc(Cl)cc1NC(=O)CC#Cc1ccccc1 1323857862 LLLJZCNSKBKRII-UHFFFAOYSA-N 299.757 3.729 30 20 CHED Cc1ncccc1CSCCOc1ccccc1C#N 1323960795 VJAXNYFCMREADY-UHFFFAOYSA-N 284.384 3.574 30 20 CHED CC[C@@H](CNc1cccc(CC#N)n1)Oc1cccc(C)c1 1324085357 NVDSZLAXSHJVIV-INIZCTEOSA-N 295.386 3.726 30 20 CHED N#Cc1cccc(-c2nnc(C[C@@H]3C=CCCC3)o2)c1 1325807407 RYYZSDNGNFCISO-GFCCVEGCSA-N 265.316 3.507 30 20 CHED CC(C)(C)ON=C1CCC[C@H](NC(=O)OC(C)(C)C)C1 1326784086 LXZWHMYKGWIEOQ-NSHDSACASA-N 284.400 3.625 30 20 CHED C[C@@H](c1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1F 1328348331 POEIHZQLUKJQDJ-LLVKDONJSA-N 293.301 3.899 30 20 CHED C#CCCOC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 1329209209 JBBGUBSXUMWLSC-LLVKDONJSA-N 299.292 3.858 30 20 CHED Cc1cnc(Cl)cc1C(=O)OCC(C)(C)CCC#N 1344618601 NYQYOKSBWARFKO-UHFFFAOYSA-N 280.755 3.530 30 20 CHED C=CC(C)(C)CC(=O)O[C@H](c1ccccc1)c1ccnn1C 1345839467 QDMZHMNWTRENNJ-QGZVFWFLSA-N 298.386 3.655 30 20 CHED C=C(C)CCC(=O)N(C)[C@H](C)c1cc(F)ccc1F 1353468033 RDSGBGKAIQVDJH-LLVKDONJSA-N 267.319 3.841 30 20 CHED N#Cc1cccc(Br)c1N1Cc2ccccc2C1 1458165641 JACOVCGDGNYHRO-UHFFFAOYSA-N 299.171 3.841 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 1464916454 IDIMCGUCTTUGKA-HRCADAONSA-N 278.440 3.847 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cc(F)ccc1N(C)C 1474760071 GCSIJWXKFLBGFD-GUTXKFCHSA-N 289.398 3.625 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccnn1C1CCCC1 1519307359 CZBJPBQWSUPINQ-UHFFFAOYSA-N 261.369 3.539 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1CCCC1 1521338609 XDLPTGBCHNJIDO-OAHLLOKOSA-N 290.794 3.910 30 20 CHED CCc1ccc2c(c1)CCN(c1ncc(C#N)cc1Cl)C2 1559304978 PUMOGQBNZIFZSM-UHFFFAOYSA-N 297.789 3.732 30 20 CHED N#Cc1ccn(Cc2ccc(C3CCCCC3)cc2)c(=O)c1 1559440997 ZGVKCTFTGQBYDJ-UHFFFAOYSA-N 292.382 3.816 30 20 CHED CCCCCCCCCNC(=O)[C@@H](C(=O)O)C(C)(C)C 1573841544 UPZITBCGRRXEEY-ZDUSSCGKSA-N 285.428 3.600 30 20 CHED CCCCCCC[C@@H](C)N[C@H]1CCC[C@H]1C(=O)O 1595704857 KGWFIVAKPGZINO-MCIONIFRSA-N 255.402 3.578 30 20 CHED C=CC[C@H](S[C@@H]1CCCc2ccccc21)C(=O)O 1602849958 SBWWLRKUSGYRGA-KGLIPLIRSA-N 262.374 3.827 30 20 CHED C[C@H](Nc1cc(C#N)cnn1)c1ccc(Cl)c(Cl)c1 1612177997 ZIZWPKPGABQGMM-QMMMGPOBSA-N 293.157 3.828 30 20 CHED C=C(Br)CN(CCO)c1cccc(C(C)C)c1 1619469797 HDGCKBDRDQBEPU-UHFFFAOYSA-N 298.224 3.517 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)c[nH]2)c2ccccc2c1 1627916601 VRKYNIRUSXWXPL-UHFFFAOYSA-N 275.311 3.600 30 20 CHED N#Cc1cccc(Br)c1NC[C@@H]1CCCS1 1642442239 ZDKNEQRIQBYGNB-JTQLQIEISA-N 297.221 3.628 30 20 CHED Cc1ccc(CN2CCc3ccc(C#N)cc32)c(C)c1 1642594585 MNOOLLBXRLYOTL-UHFFFAOYSA-N 262.356 3.738 30 20 CHED N#Cc1cnc(NCCc2cc3ccccc3s2)c(F)c1 1651888097 QBSMSAVGYWTNLP-UHFFFAOYSA-N 297.358 3.962 30 20 CHED CC(C)CC[C@H](N=c1cc[nH]c(C#N)c1)C(C)(C)C 1655142957 PMKFQUVZWFUJNQ-HNNXBMFYSA-N 259.397 3.638 30 20 CHED Cc1nn(C)cc1CSc1ccc(C#N)cc1Cl 1656378182 HZCJJJGQROJSAF-UHFFFAOYSA-N 277.780 3.546 30 20 CHED C=C(CNC(=O)N1CCC(C2CC2)CC1)c1ccccc1 1673395204 FXDPQJFEOUBNRZ-UHFFFAOYSA-N 284.403 3.531 30 20 CHED O=C(O)c1cc(NN=C[C@@H]2[C@H]3CCCC[C@H]32)ccc1Cl 1776034813 ZXQNIIVIAFEYFT-PJXYFTJBSA-N 292.766 3.872 30 20 CHED O=C(/C=C\c1ccc(C(=O)O)s1)c1ccc(Cl)cc1 1776114805 BUEOQAYBDLESRR-ALCCZGGFSA-N 292.743 3.996 30 20 CHED N#Cc1cccc(COC(=O)c2cc3c(s2)CCCC3)c1 4461539 WXBIXKLEONRKDY-UHFFFAOYSA-N 297.379 3.856 30 20 CHED N#CCSc1nc2ccccc2n1CCc1ccccc1 6365423 CPNWVQOWLLPJLX-UHFFFAOYSA-N 293.395 3.895 30 20 CHED Cc1nc(-c2cn(CCC#N)c3ccccc23)cs1 7763303 ATIVRTWSFFWMRA-UHFFFAOYSA-N 267.357 3.987 30 20 CHED C#Cc1cccc(NC(=O)c2csc(-c3ccco3)n2)c1 29612188 SUUSXGKYCFQREU-UHFFFAOYSA-N 294.335 3.637 30 20 CHED COc1cccc(CNc2ccc(Cl)c(C#N)c2)c1 35053525 DTSKMHITFHMVFG-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1ccccc1OC 36995058 VIQRXALIJAGLIF-QGZVFWFLSA-N 280.371 3.808 30 20 CHED C[C@@H](Cc1cccs1)N[C@@H](C)c1cccc(C#N)c1 37291800 QOGUQBZDHWBUGB-STQMWFEESA-N 270.401 3.902 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ncccc1C(F)(F)F 47511230 ATTQQZLNBAWKTA-UHFFFAOYSA-N 291.276 3.608 30 20 CHED N#Cc1ccccc1COc1ccc2ncccc2c1 49392078 LHNQLHLNFOEACP-UHFFFAOYSA-N 260.296 3.685 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1cc2ccccc2o1 52753040 UZNDRDLFMQHKES-GFCCVEGCSA-N 282.343 3.694 30 20 CHED N#CCc1ccc(NC(=O)C2CCCCCC2)cc1 53714608 IZITWSYCJYAQGP-UHFFFAOYSA-N 256.349 3.662 30 20 CHED C=CCSc1nnc(-c2ccco2)n1Cc1ccccc1 57500158 HULDOUZEGFPHOQ-UHFFFAOYSA-N 297.383 3.865 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 63961885 CICNLDPHSQOMBG-UHFFFAOYSA-N 292.338 3.684 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cccc(Oc2ccccc2)c1 68082224 WQLJGVYIZHPDFJ-CQSZACIVSA-N 294.354 3.711 30 20 CHED N#Cc1ccc(SCC(=O)C2CCCCC2)cc1 69271714 IAWPPTJZMRAUBQ-UHFFFAOYSA-N 259.374 3.800 30 20 CHED C#CCCNc1ccc(Br)cc1Cl 70159636 UHWQWRXALMDDKE-UHFFFAOYSA-N 258.546 3.538 30 20 CHED N#Cc1cc(NC(=O)c2coc3ccccc23)ccc1F 70379706 WBBYCOZLOYCYMX-UHFFFAOYSA-N 280.258 3.696 30 20 CHED N#Cc1ccc(CSCc2nc(-c3ccco3)no2)cc1 74269840 CDNXRQKQKHPQDB-UHFFFAOYSA-N 297.339 3.635 30 20 CHED C=CCn1c(S[C@@H]2C=CCCC2)nnc1-c1ccco1 76610183 ODDHOQSPDJDTEC-GFCCVEGCSA-N 287.388 3.925 30 20 CHED N#CC1(C(=O)NC2CC(c3ccccc3)C2)CCCCC1 77351511 QKFKYIYUUZAKKR-UHFFFAOYSA-N 282.387 3.523 30 20 CHED N#Cc1cc(Cl)ccc1NCC[C@@H](O)c1ccccc1 78519522 FTBMZMWZJCSYHX-MRXNPFEDSA-N 286.762 3.747 30 20 CHED CC(C)c1ccccc1NC(=O)C#Cc1ccccc1 80511184 FNQVSDFLHKRYFV-UHFFFAOYSA-N 263.340 3.800 30 20 CHED C[C@H](c1ccc(F)cc1)S(=O)(=O)CCCC(C)(C)C#N 83025716 RNHULAYQZLYHJP-GFCCVEGCSA-N 297.395 3.631 30 20 CHED CCc1cccc(C)c1NC(=O)c1cc(C#N)cs1 84057864 SCQMFTHUUVATCH-UHFFFAOYSA-N 270.357 3.743 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1cccc(Oc2ccccc2)c1 84908549 OLMPTDQJDLCHFH-ZDUSSCGKSA-N 295.342 3.760 30 20 CHED C[C@@H]1CCCC[C@@H]1CNc1c(C#N)nnc2ccccc12 85920312 OBFBZEPWVGAOQI-CHWSQXEVSA-N 280.375 3.740 30 20 CHED CCN(C(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(C#N)c(Cl)c1 91206470 KVUAILXQKTZRSS-KGLIPLIRSA-N 288.778 3.611 30 20 CHED CC(C)(CNCc1cc(C#N)cs1)c1ccccc1 93492332 JLMDQKZIOFANAR-UHFFFAOYSA-N 270.401 3.687 30 20 CHED C=CCN(C(=O)c1cccc(C(F)(F)F)c1F)C(C)C 94351165 NXXYGFFFGKXQIR-UHFFFAOYSA-N 289.272 3.881 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 94592077 GBVUTGRAOIBVGB-WDEREUQCSA-N 261.325 3.703 30 20 CHED CCCCCCCCNC(=O)Nc1nccs1 101450399 PWSSTTFOXWYRIN-UHFFFAOYSA-N 255.387 3.625 30 20 CHED COc1ccccc1C[C@@H](C)N(CC#N)Cc1ccccc1 101560483 BXGPNRRRGDILSK-MRXNPFEDSA-N 294.398 3.652 30 20 CHED N#CC1(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CCCC1 110576356 WYSZJDGTRMHDDN-HZPDHXFCSA-N 282.387 3.523 30 20 CHED Cc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1[N+](=O)[O-] 114992361 BNOZTZYBOKGSSN-AWNIVKPZSA-N 297.285 3.865 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](C)[C@H]1C)c1ccccc1 119969027 UDTWBYCMVZSKGE-RRFJBIMHSA-N 257.377 3.603 30 20 CHED CSc1ccc(C(=O)/C=C/c2cnn(C)c2)c(Cl)c1 122242277 VKWIONDAXMNEKY-ZZXKWVIFSA-N 292.791 3.692 30 20 CHED CC1(C)C[C@@H](/N=C/c2c(O)ccc3ccccc23)CCO1 124147456 XRPGVSICFWJFTG-BXUJETTOSA-N 283.371 3.922 30 20 CHED CC[C@@H]1CC[C@@H](C)N1c1c(F)cc(C#N)cc1F 124465794 YLYNALXCQBZONE-MWLCHTKSSA-N 250.292 3.604 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccc(Cl)c(Cl)c1 125033404 AXZXAEMTZWOLRF-VIFPVBQESA-N 289.158 3.880 30 20 CHED C=CCOc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1 125272843 SLTSDKWTSFJADY-QGZVFWFLSA-N 297.402 3.702 30 20 CHED C[C@@H](C#N)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 125608780 QRTPPTDFYREVCR-VIFPVBQESA-N 290.775 3.710 30 20 CHED CCN(CCC#N)Cc1cc(Cl)cc(Cl)c1OC 127643801 PLFFKJKODMEKEG-UHFFFAOYSA-N 287.190 3.738 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2sccc2C)o1 127721289 QZKUUXBFJAEIMM-MRVPVSSYSA-N 265.363 3.501 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)cc2)cc(C)c1F 133748470 RPGBXLGUIGJHCJ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1nc(CSCc2ccccc2C(C)(C)C#N)no1 133944929 BMVVEPHDGIQZBE-UHFFFAOYSA-N 287.388 3.613 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 135120007 OLZBOPJBRCJXIX-YVEFUNNKSA-N 299.374 3.516 30 20 CHED CCCCCCCCNC(=O)NCc1ccc(O)cc1 143963746 MRRFODGMOMLMDL-UHFFFAOYSA-N 278.396 3.552 30 20 CHED C[C@@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(C#N)cc1 151782202 BUQCRFJNUTWBJU-VXGBXAGGSA-N 284.384 3.601 30 20 CHED C=CCC[C@@H](Nc1cc(C)ncn1)c1ccccc1 154576574 OIMHOEDNNOKVHL-OAHLLOKOSA-N 253.349 3.904 30 20 CHED CC#CCCSCc1nc([C@H](C)SCC)no1 154969887 LNJCEGOEGRDZPI-JTQLQIEISA-N 270.423 3.530 30 20 CHED CC[C@H](C#N)OC(=O)CCC(C)(C)c1ccccc1 155681330 DPCYFRIITAORPU-CQSZACIVSA-N 259.349 3.590 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 155856366 KQQKOMYZOHYPBD-CYBMUJFWSA-N 291.354 3.606 30 20 CHED C#CCCCCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 156165755 SNWQKVADCFNJMH-DOTOQJQBSA-N 271.404 3.736 30 20 CHED C#CCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 156422837 AJHZMMAGLWQYNP-BZUAXINKSA-N 261.409 3.513 30 20 CHED C=CCN(CC=C)Cc1ccccc1OCc1cccnc1 158137743 TYTWOGZSBQFADS-UHFFFAOYSA-N 294.398 3.835 30 20 CHED N#Cc1cc2c(nc1SCc1nccs1)CCCC2 162789162 ALSZVBDOTPEPML-UHFFFAOYSA-N 287.413 3.581 30 20 CHED N#Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)ccc1C(F)(F)F 166866709 PDSQSSKFCOSJQS-ZWNOBZJWSA-N 298.308 3.540 30 20 CHED N#CC1(NC(=O)C[C@@H]2CCCc3ccccc32)CCCCC1 170980119 MCJPIAQDCLWHEP-INIZCTEOSA-N 296.414 3.839 30 20 CHED C[C@H]1CN(C(=O)c2cccc(CC#N)c2)[C@H]1c1ccccc1 174021859 VBTWIDPSUSIGBF-KBXCAEBGSA-N 290.366 3.586 30 20 CHED C#CCCCNC(=O)Nc1cc(Cl)cc(Cl)c1 174272618 OAFUEZIQYOTNHA-UHFFFAOYSA-N 271.147 3.528 30 20 CHED C=CCCCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 175553961 KPJJBWPOVNKBTD-HNNXBMFYSA-N 288.435 3.588 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1ccccc1F 176336802 QFRZPKBZSPGGIM-UHFFFAOYSA-N 277.343 3.619 30 20 CHED CC(C(=O)Nc1ccc(F)c(C#N)c1)=C1CCCC1 176614153 KUAFZHYWMWHXIE-UHFFFAOYSA-N 258.296 3.526 30 20 CHED CCc1ccc(CCNCc2ccc(C#N)s2)cc1 176972343 KOHXDJFJNBYFNZ-UHFFFAOYSA-N 270.401 3.514 30 20 CHED FC(F)(F)c1ccc(C#CCNCc2cccs2)cc1 177715949 VFUYVYTWENPCTI-UHFFFAOYSA-N 295.329 3.908 30 20 CHED Cc1ncsc1CN(C)Cc1ccccc1C(C)(C)C#N 178532165 AXVAMEYDYGCJAU-UHFFFAOYSA-N 299.443 3.885 30 20 CHED C=CCSCCNC(=O)[C@H](C)Cc1ccc(Cl)cc1 179378568 BCWUHIXBJXHLLN-GFCCVEGCSA-N 297.851 3.554 30 20 CHED C=CCSCCN[C@H]1CCCc2cc(OC)ccc21 180455172 ZYUGKZQOWDZFCX-INIZCTEOSA-N 277.433 3.581 30 20 CHED C=C(C)CN(C)C(=O)NCc1cccc2ccccc12 180849155 OVNSKUGDRUPKGX-UHFFFAOYSA-N 268.360 3.557 30 20 CHED C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 181991770 HDTMVTAVGDWEAY-MPGHIAIKSA-N 286.419 3.804 30 20 CHED C[C@H](CN(C)CC(C)(C)CCC#N)c1nccs1 183249910 NTNIZRDTXZTJBR-GFCCVEGCSA-N 265.426 3.508 30 20 CHED Cc1ccccc1C(C)(C)CN[C@H]1CCC[C@@H](C#N)C1 185806313 CMELGYGUAQKVCP-CVEARBPZSA-N 270.420 3.945 30 20 CHED CC#CCCCC(=O)N1CCc2cc(OCCC)ccc2C1 185906773 QLLKQEAZOSDLFM-UHFFFAOYSA-N 299.414 3.554 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@](C)(C=C)CC 187846277 CDDVMRMUIIBNES-GOSISDBHSA-N 287.403 3.812 30 20 CHED N#Cc1ccccc1S[C@H]1CCc2ccccc2NC1=O 188030082 HBUYZUPFCRMDOY-INIZCTEOSA-N 294.379 3.604 30 20 CHED CC[C@@H](Sc1ccccc1C#N)C(=O)OC(C)(C)C 188030232 JUXOYTKZDWNSRS-GFCCVEGCSA-N 277.389 3.771 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cc2ccccc2o1 188480049 BTMQDSDJMKABEQ-KRWDZBQOSA-N 271.360 3.994 30 20 CHED C=CCN(C)Cc1cc(Cl)ccc1OC(F)F 189033568 DDZJUGADKDDZKF-UHFFFAOYSA-N 261.699 3.559 30 20 CHED Cn1cc(CNC2(c3ccc(F)cc3)CCCC2)cc1C#N 190925985 AWQJSCJRYZGBMG-UHFFFAOYSA-N 297.377 3.595 30 20 CHED C=Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1 192109675 KBNPOGDRMIDULX-INIZCTEOSA-N 296.757 3.978 30 20 CHED COc1cccc2c1CC/C(=C/c1ccc(C#N)s1)C2=O 194592753 FGBYCGJMCXKIQG-LUAWRHEFSA-N 295.363 3.841 30 20 CHED Cc1ccc(/C=C2/Cc3c(O)cccc3C2=O)s1 209662875 UNLOCBBDJIHCPM-YFHOEESVSA-N 256.326 3.585 30 20 CHED CCC[C@@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 213460090 COOBLKDRBJVQFD-MRXNPFEDSA-N 272.392 3.721 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2cccc(O)c2)c1 213698475 IRMJMHMIHRNPTH-KTKRTIGZSA-N 280.323 3.853 30 20 CHED Cc1cc(Cl)ccc1C(=O)N(CCC#N)CC(C)C 222674144 JHPAWCOFDWJTNR-UHFFFAOYSA-N 278.783 3.660 30 20 CHED CCSCC[C@@H](C)Nc1nccc(C#N)c1Cl 233833063 NOMTUSRUDTVZSX-SECBINFHSA-N 269.801 3.550 30 20 CHED CCOc1ccc(C=NOCc2ccc(C#N)cc2F)cc1 255132250 YBYOWXSDOLKSRW-UHFFFAOYSA-N 298.317 3.647 30 20 CHED CCc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)o1 255548649 BYBLGEBYAQZBDQ-HYXAFXHYSA-N 277.301 3.708 30 20 CHED C=C(C)CCOC(=O)/C=C\c1nc2ccccc2s1 255893704 MNSXMRFPUAMICX-FPLPWBNLSA-N 273.357 3.819 30 20 CHED C=CC[C@@H]1N(Cc2cccc(C(=O)O)c2)CCCC1(C)C 263450151 ZHYFYDWJNFWAQM-INIZCTEOSA-N 287.403 3.952 30 20 CHED C=C1CCN(C(=O)c2cc(C)c(OC(F)F)c(C)c2)CC1 264448830 DINBKUIQOCCLRW-UHFFFAOYSA-N 295.329 3.697 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(CC#N)c1 265646391 VUHWVLGMWGONFB-PBHICJAKSA-N 284.403 3.793 30 20 CHED Cc1cccc([C@@H](C)Nc2cc(C)n(CCC#N)n2)c1 271038902 RACVIQQADIHDAL-CQSZACIVSA-N 268.364 3.587 30 20 CHED C[C@@H](NCCOCc1ccccc1)c1ccc(C#N)c(F)c1 271992228 ZOYVZSCMOJGXSL-CQSZACIVSA-N 298.361 3.565 30 20 CHED N#CCCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 273032910 NEQGHAVTRZDALH-GHMZBOCLSA-N 297.185 3.517 30 20 CHED C=C(C)[C@H](Cc1nc([C@H]2CCC[C@@H](C)C2)no1)OCC 273973443 QOLGDUUYFGZVPX-RDBSUJKOSA-N 278.396 3.887 30 20 CHED C=CCC1(C(=O)Nc2ccc(N(C)C)cc2C)CCC1 276780075 QTUQVFWQHAZIOF-UHFFFAOYSA-N 272.392 3.746 30 20 CHED CC(C)(C#N)CCCC[S@](=O)c1ncccc1Cl 278202777 HLUGRAXUOHGISU-SFHVURJKSA-N 284.812 3.563 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nnc(-c3ccccc3)o2)C1 278686058 ZAQIPAAPQFQBLY-ZYHUDNBSSA-N 271.345 3.521 30 20 CHED CC#CCCCC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 278911703 KSKXQJJUSKQHRP-AEFFLSMTSA-N 283.415 3.893 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 285614393 JIANXDGHDAHBSW-LKFCYVNXSA-N 267.275 3.509 30 20 CHED N#Cc1sc(N2CCS[C@H]3CCCC[C@H]32)nc1Cl 287678727 CHOVEYFIUQELTQ-BDAKNGLRSA-N 299.852 3.533 30 20 CHED C[C@H](C(=O)N[C@]1(C#N)CC1(C)C)c1ccc2ccccc2c1 291520324 YAVNJIALELNOEM-DJJJIMSYSA-N 292.382 3.752 30 20 CHED C=CCC(C)(C)C(=O)N(CC)Cc1cccs1 292377290 GXMRHHGXRGJQLC-UHFFFAOYSA-N 251.395 3.699 30 20 CHED CSC[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 292426303 NEAHUUMHRNKTJE-DZGCQCFKSA-N 274.433 3.694 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(Cc3ccccc3F)CC2)C1 293204789 UONUZSCVHTXMRV-NVXWUHKLSA-N 286.394 3.772 30 20 CHED Cc1ccc([C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)cc1 294560086 ZDKOXIFNELMQEI-RDTXWAMCSA-N 282.387 3.646 30 20 CHED C[C@H](CCC#N)N[C@H](c1ccccc1)c1nccs1 298611562 MGFIRJKTMXQFNJ-TZMCWYRMSA-N 271.389 3.514 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(Cl)c1OCCOC 299229246 XSJYYFVLQFLSJE-UHFFFAOYSA-N 297.782 3.516 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)c1cccc(C)c1C 299512989 GTQPNNVURIUSFS-UHFFFAOYSA-N 292.382 3.771 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1snc(Cl)c1C#N 301291799 UETVWUAEWXANJD-WEDXCCLWSA-N 269.801 3.905 30 20 CHED CC[C@H](C)[C@@H](O)CNc1c(C#N)cnc2c(C)cc(C)cc12 301384550 BTEVMSRYTYHNCJ-LRDDRELGSA-N 297.402 3.542 30 20 CHED CSCCCNc1c(C#N)cnc2c(C)cc(C)cc12 301406030 UPFTVYRTRXQQNL-UHFFFAOYSA-N 285.416 3.888 30 20 CHED Cc1cc(F)cc2c(N3C[C@@H](C)[C@@H](C)C3)c(C#N)cnc12 301467890 YOWJYSKSLGKWOZ-TXEJJXNPSA-N 283.350 3.646 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H]1CCCS1 301619454 XDQNPBOJRIRTAQ-JTQLQIEISA-N 252.770 3.519 30 20 CHED C[C@H](C#N)OCCSCc1ccc(Cl)cc1 304226407 JEOKFVJXJCZGPI-SNVBAGLBSA-N 255.770 3.502 30 20 CHED CC[C@@](C)(CNc1ccc(C#N)cc1Br)OC 322759502 FYKJMGDSHQMUSW-ZDUSSCGKSA-N 297.196 3.548 30 20 CHED CC(C)c1ncncc1/C(O)=N/[C@H]1CC12CCCCC2 329111346 KASXDXFFAWYNSL-ZDUSSCGKSA-N 273.380 3.627 30 20 CHED Cc1nc(N=C(O)c2ccnc(C3CC3)c2)cc(C2CC2)n1 329357415 ZUXFNFIOUBYMEE-UHFFFAOYSA-N 294.358 3.571 30 20 CHED CC[C@@H]1CCCC[C@H]1C(O)=Nc1nc2cccnc2n1C 329402037 YJSMAPZBHQFMPB-VXGBXAGGSA-N 286.379 3.773 30 20 CHED Cc1nc(C)c(N=C(O)C2C[C@@H]3CCC[C@H](C2)C3=O)s1 329835046 UTQBHMXDPWOMIO-FOSCPWQOSA-N 292.404 3.743 30 20 CHED Cc1oc(C(C)C)cc1/C(O)=N/C(C)(C)C(C)(C)CO 330607180 OOHNMXCFUWBYNC-UHFFFAOYSA-N 281.396 3.813 30 20 CHED CCc1ocnc1/C(O)=N/C(C)(C)c1nc(C)c(C)s1 330809941 AIQLCJIXCSEPQJ-UHFFFAOYSA-N 293.392 3.550 30 20 CHED CCO[C@@H](C)c1ncc(/C(O)=N/C2(C)CCCC2)s1 330917934 MIWCGAFNLDAIEI-JTQLQIEISA-N 282.409 3.878 30 20 CHED Cc1ccc(N/C(O)=N/C[C@H]2CCO[C@@H]2C(C)C)cc1C 330964174 HAMMFNJGTODGEB-GDBMZVCRSA-N 290.407 3.690 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 331087570 DVBPWWNZHBKVQC-UKRRQHHQSA-N 288.416 3.609 30 20 CHED C=C1CCN([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 334336583 SXMKAQGLUQVTEF-CQSZACIVSA-N 283.375 3.758 30 20 CHED Cc1ccc(OC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1C 334399133 MFMGXZCIUTZIKU-IAGOWNOFSA-N 298.430 3.839 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2CC#N)cc1C 334947694 MQZJTIZNWBBKQT-UHFFFAOYSA-N 264.328 3.622 30 20 CHED C[C@@H](C(=O)N[C@H]1CCC12CCCC2)c1cccc(C#N)c1 335386313 IOYPKQUNTAYUJA-CJNGLKHVSA-N 282.387 3.501 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(-c2cc[nH]n2)c1 336096498 HMORMBATQSOTNP-OAHLLOKOSA-N 296.374 3.649 30 20 CHED N#Cc1c[nH]c(-c2nc(-c3cccc4ccccc34)no2)c1 336861853 FXXSBXWGAJDVTC-UHFFFAOYSA-N 286.294 3.757 30 20 CHED C=CCOCCCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 337452448 MVFVJBSFLGRDNL-QGZVFWFLSA-N 293.382 3.622 30 20 CHED C[C@]1(CNc2ccc(C#N)nc2)C[C@@H]1c1ccccc1 338740032 LXIBGADYJPBLDQ-IAGOWNOFSA-N 263.344 3.559 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCc2ccc(C)cc21)OCC 339362038 QCYLGIARCPSFGB-QGZVFWFLSA-N 287.403 3.646 30 20 CHED COc1ccc(CN2C[C@@H](C)CCC[C@H]2C)cc1C#N 340204251 LENBXQNWHHLMPE-UONOGXRCSA-N 272.392 3.577 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 342178247 MAVMXGGJLGTBQW-CYBMUJFWSA-N 284.359 3.601 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccsc1 343258631 JDOBJJKUPVHEDH-NWDGAFQWSA-N 251.395 3.713 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1ccc2n[nH]cc2c1 343941898 IUECZYBADODTJD-SNVBAGLBSA-N 280.306 3.747 30 20 CHED C=C(CN[C@H]1C[C@H](OCC)C12CCC2)c1ccccc1 344050006 JOYPVXVFDVZSSE-IRXDYDNUSA-N 271.404 3.637 30 20 CHED CC(C)Cn1ncc(NCCC(C)(C)C#N)c1C1CC1 345332104 WJCXJZOGUJSSHD-UHFFFAOYSA-N 274.412 3.768 30 20 CHED C[C@@H](NCc1cccc(F)c1)c1ccc(C#N)c(F)c1 346177182 ILAZOMGSELMQDZ-LLVKDONJSA-N 272.298 3.687 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cccc(OC)c1 346462977 LXDRVSYAQQOVEH-UHFFFAOYSA-N 295.382 3.566 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CC23CCCCC3)c1 347417638 UOBQEHDPUWLBMF-INIZCTEOSA-N 268.360 3.896 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@@H]2CCCCO2)CCCC1(C)C 347448449 RFQDFMUDBJIVHU-GJZGRUSLSA-N 279.424 3.539 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2cccc3ccccc23)C1 349799130 GUNZQPQAODQZDV-CZUORRHYSA-N 250.345 3.622 30 20 CHED CCCCNc1c(C#N)cnc2c(F)cc(F)cc12 352303764 NRFSDKGFFSKMSS-UHFFFAOYSA-N 261.275 3.597 30 20 CHED CCc1nc(C)ccc1OCc1ccc(F)cc1C#N 352553585 LLALTKVGQUFVES-UHFFFAOYSA-N 270.307 3.542 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)CC(C)(C)C#N 353188357 VDEQISRHPXBSSY-CABCVRRESA-N 298.430 3.984 30 20 CHED Cc1cscc1NC(=O)Nc1ccc(C#N)c(F)c1 353566634 XXSSWVMVHRWGQY-UHFFFAOYSA-N 275.308 3.711 30 20 CHED CO[C@@H]1CCOc2c(NCCCC(C)(C)C#N)cccc21 357192787 UNYHFBYZGXCASG-OAHLLOKOSA-N 288.391 3.898 30 20 CHED N#Cc1ncccc1NCC1(c2ccccc2Cl)CC1 357448649 FMCXIZDCUYUHJK-UHFFFAOYSA-N 283.762 3.750 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cnccc2C)c1 358261099 WRJHJGBAPMWMKI-UHFFFAOYSA-N 282.343 3.597 30 20 CHED N#Cc1ccc(CNc2cnc3c(c2)CCCC3)s1 359819985 LXJCDBHHNRDYMB-UHFFFAOYSA-N 269.373 3.506 30 20 CHED Cc1ccc(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)s1 362423150 MDFDMWSRZGEBLN-UHFFFAOYSA-N 299.399 3.555 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc2cccnc12 362464844 LRNVWNWBXYPMEX-AWEZNQCLSA-N 281.359 3.807 30 20 CHED CO[C@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)CC1 364881280 XRANYSIWDCPKTD-LBPRGKRZSA-N 298.308 3.582 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 370022873 VOUUUBFSAVLWOP-BPUTZDHNSA-N 287.407 3.529 30 20 CHED N#Cc1ccc(N2CCC[C@H]2/C=C/c2ccccc2)nc1 371600772 CSPGYAOIGQLIPE-VMSUTVGLSA-N 275.355 3.635 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(-n2ccnc2)cc1 384872191 RILPXZPZTCLLBC-CQSZACIVSA-N 269.392 3.735 30 20 CHED N#Cc1cc(F)c(NC[C@H]2CCCC2(F)F)c(F)c1 390856250 KNKAPENTRMTOTG-SECBINFHSA-N 272.245 3.684 30 20 CHED C=CCCC[C@@H](C)Nc1ncc(C(=O)O)cc1Cl 398111951 YUCKFAJFGBECKW-SECBINFHSA-N 268.744 3.590 30 20 CHED CC[C@@H](CNc1nc(C)ccc1C#N)CC(F)(F)F 402710807 UREGBRBGJBPXIC-SNVBAGLBSA-N 271.286 3.652 30 20 CHED C=CC[C@@H](CC)NC(=O)CCSc1ccccc1F 410146994 GGKNOVCKUJJZQQ-GFCCVEGCSA-N 281.396 3.779 30 20 CHED CC(C)(CC#N)CN[C@H]1CCCc2ccc(F)cc21 414175832 ZVHAPYHPHBVKRW-HNNXBMFYSA-N 260.356 3.733 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)CC[C@H](C(F)F)C2 416384449 DYOASBYHTVKQQV-NSHDSACASA-N 272.298 3.785 30 20 CHED CC(C)C[C@H](C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416706407 XWVQRQIDBSOLHM-SUMWQHHRSA-N 299.418 3.669 30 20 CHED N#Cc1ccc(CNC(=O)CC2CCCCCC2)s1 421605692 WMFIWAWYJGYQMM-UHFFFAOYSA-N 276.405 3.596 30 20 CHED C=C(CN[C@@H]1CCC[C@H]1[C@@H]1CCCCN1)c1ccccc1 423034652 XVOQDJGUCWSKAJ-GBESFXJTSA-N 284.447 3.600 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(C(F)(F)F)s2)C1 424208635 YIOQXIRGAVRRLE-DTWKUNHWSA-N 274.311 3.549 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1CCC[C@H]1C 425134045 UCJYZEGHXNJSBJ-YCPHGPKFSA-N 284.403 3.904 30 20 CHED Cc1cnc(CN(C)[C@H](C)c2cccc(C#N)c2)s1 425363094 AOIDRCWKMLGHQW-GFCCVEGCSA-N 271.389 3.516 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cscc1C 426223634 CTJFEYHJMFDLBO-LBPRGKRZSA-N 266.410 3.601 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1ccc(C)cc1)C1CCC1 427521572 KWCVYGNSYFNUQP-MAUKXSAKSA-N 273.420 3.610 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)cc1 429234196 OKJSKWMCTWUGPW-UKRRQHHQSA-N 273.376 3.512 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1C[C@H](C)C[C@@H](C)C1 431700213 ZGXBVBIXBMNBLJ-VXGBXAGGSA-N 285.391 3.813 30 20 CHED C=C(CC)CN1CCC(c2ncc(C)s2)CC1 433284030 FCCQMXMUFUUGSQ-UHFFFAOYSA-N 250.411 3.597 30 20 CHED CC1(C)CCCN(C(=O)[C@@H]2CCCc3ccccc32)[C@@H]1C#N 434028866 YPDFSIQSRQAASF-IAGOWNOFSA-N 296.414 3.647 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(C#N)cc1Cl 439434765 CKJOKAXJNVCYSA-UHFFFAOYSA-N 289.810 3.973 30 20 CHED C=C1CCN(C(=O)[C@@H](C)CSCc2ccccc2)CC1 439825064 BSWOPWGIPAOLJW-HNNXBMFYSA-N 289.444 3.735 30 20 CHED C[C@H](CC#N)N(C)c1ncnc2sc3ccccc3c12 440661811 QOIFMLSXVFNKIW-SNVBAGLBSA-N 282.372 3.583 30 20 CHED C=C(C)CN1CCN([C@H](CC)c2ccc(F)cc2F)CC1 441488908 RQGRCIFAEDXUKO-QGZVFWFLSA-N 294.389 3.610 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C1 442761301 BWYDQJCWKQRAFC-RISCZKNCSA-N 287.794 3.646 30 20 CHED C[C@H](NC(=O)N[C@H]1CCC[C@@H](C)CC1)c1ccc(C#N)cc1 443107298 YJYJIVUKZFGIMT-KEYYUXOJSA-N 299.418 3.887 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCC(C)(C)C1 443573969 BLCHUDPCLFMNRL-CQSZACIVSA-N 285.391 3.957 30 20 CHED C=CCC1(C(=O)Nc2nccs2)CCCCC1 448607539 OQOOZQBHYWGTGI-UHFFFAOYSA-N 250.367 3.608 30 20 CHED C=CC(C)(C)CNCc1cn(C)nc1C1CCCCC1 449485021 KEZCPOYNALCVRO-UHFFFAOYSA-N 275.440 3.770 30 20 CHED C=CCC1(NCc2ncc(C)s2)CCCCC1 449578122 ZIUZXYHICORGCO-UHFFFAOYSA-N 250.411 3.820 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1CC1(C#N)CCC1 450899407 DHVLRPGQOXXHRA-DOTOQJQBSA-N 268.404 3.948 30 20 CHED N#CC1(CCCSC2(CO)CCCCC2)CCOCC1 451052692 BAELWKPCYYXBQW-UHFFFAOYSA-N 297.464 3.515 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(OC)c(C)c2)no1 453107285 IGPWBRSWJCSHMR-UHFFFAOYSA-N 258.321 3.517 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C 456317750 FLEMFJHSQIZRJE-JKSUJKDBSA-N 263.425 3.894 30 20 CHED C[C@H](CC(=O)NCC(C)(C)CC#N)c1ccc(F)cc1F 457996831 UAADFDCTCBXOHT-LLVKDONJSA-N 294.345 3.514 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(CN(C)C)c(C)c1 458282139 LTVSEWCHUQEOJW-UHFFFAOYSA-N 286.419 3.764 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CC(C)(C)C#N)CCC2 458774085 KWXJDWWJLJXIMV-INIZCTEOSA-N 299.418 3.564 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(C)(C)CC=C 459877254 HWHWAZPBAWJIRB-UHFFFAOYSA-N 263.406 3.865 30 20 CHED C=CCOc1ccc(OCc2ccc(F)cc2)cc1 462653006 DWMYVABXNKUXRB-UHFFFAOYSA-N 258.292 3.970 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)C1 464158503 JWTPDRFUXVAWLN-IOASZLSFSA-N 264.413 3.647 30 20 CHED C=C[C@H](C)NC(=O)NCc1cccc(Oc2ccccc2)c1 464759376 XPRWAEOLPYLJNM-AWEZNQCLSA-N 296.370 3.853 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 465117600 UVHVRSITDZRRBO-ZDUSSCGKSA-N 292.338 3.655 30 20 CHED CCC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 466489337 BYQNHWXAFCRWRX-CYBMUJFWSA-N 260.356 3.709 30 20 CHED COc1ccc([C@@H](C)NCCc2cccc(C#N)c2)c(F)c1 467432145 IWYKZIWSHGXJJV-CYBMUJFWSA-N 298.361 3.599 30 20 CHED C=CCCN(C)C(=O)COc1ccc(-c2ccccc2)cc1 468183636 PWBJJPUWZJJSLG-UHFFFAOYSA-N 295.382 3.767 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)CCc1ccc(O)cc1 468518966 YPZZJQKPDFLXQE-CYBMUJFWSA-N 296.370 3.706 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 469901652 MNZOKRYFLNYRPE-ZIAGYGMSSA-N 294.354 3.925 30 20 CHED CC[C@@H](C(=O)N[C@H](C#N)C(C)C)C1CCC(C)CC1 470158022 BALDKNZYXAMVCX-NEXFUWMNSA-N 264.413 3.503 30 20 CHED C=CCOc1ccc(OC[C@H](O)C2CCCCC2)cc1 473776026 ZXRYDPDSSMKHPS-KRWDZBQOSA-N 276.376 3.571 30 20 CHED C=CCCCCNC(=O)N1CCCC(C)(C)CC1 474074656 RURRISMECLBJSS-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1COc2ccc(Cl)cc21 474879828 OOLISKQNGPMUOL-AWEZNQCLSA-N 291.778 3.658 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 476371256 WEYNSQLPBGITSX-OAHLLOKOSA-N 291.435 3.731 30 20 CHED CC(C)CN(C(=O)[C@@H](C)C1CC1)c1ccc(C#N)cc1 477181461 WFWQPTUVJRDULA-ZDUSSCGKSA-N 270.376 3.593 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc(OCC4CC4)cc3)nc2c1 478225538 COTJVMQUUVUQHI-UHFFFAOYSA-N 289.338 3.890 30 20 CHED C=CCC1(C(=O)NCC2(OCCC)CCCCC2)CCC1 478511506 BOXCZDGHWGUNFG-UHFFFAOYSA-N 293.451 3.979 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1cccc(Cl)c1F 478821469 BABKDPFRWRUPIB-NSHDSACASA-N 299.773 3.671 30 20 CHED C=CCOCC(=O)N1c2ccccc2[C@@H](C)CC1(C)C 479313088 UFOGNDNZAUQCCD-ZDUSSCGKSA-N 273.376 3.508 30 20 CHED C=CCSCCNC(=O)c1csc2cc(C)ccc12 479853871 UCRJPWFYMWCEAM-UHFFFAOYSA-N 291.441 3.859 30 20 CHED N#Cc1ccncc1N1CCC(c2cccc(Cl)c2)CC1 480788796 JFCPGQNRPVRTGN-UHFFFAOYSA-N 297.789 3.991 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1cc(C#N)n(C)c1 483282446 FHNRSZQJGFNFFD-SFHVURJKSA-N 295.430 3.658 30 20 CHED C=CCSCc1ccn(-c2ccc(F)cc2F)n1 485881860 MGAUTPGUSOHNQU-UHFFFAOYSA-N 266.316 3.570 30 20 CHED CC(C)[C@H](CNC(=O)c1ccc(C#N)s1)c1ccccc1 486814464 HSJBZWWQFBISAN-HNNXBMFYSA-N 298.411 3.789 30 20 CHED Cc1nc(N(C)[C@@H](C)c2cc(F)ccc2F)ccc1C#N 488055410 IREJRDSNOZXSMC-NSHDSACASA-N 287.313 3.737 30 20 CHED C[C@@H]1CN(c2cc(Cl)ccc2C#N)Cc2ccccc2O1 488789654 VGGQOJIDRMSLKC-GFCCVEGCSA-N 298.773 3.999 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cccc(F)c1C 491148406 VZTGUFUQSDLTPA-UHFFFAOYSA-N 296.345 3.801 30 20 CHED C#C[C@H](NC(=O)c1ccoc1C1CC1)c1ccc(Cl)cc1 491279334 YEESHMUAVBRSQP-HNNXBMFYSA-N 299.757 3.915 30 20 CHED C=CC[C@H]1N(C(=O)N[C@H]2CCCSC2)CCCC1(C)C 491457919 KNAPSUBYPSFSHF-UONOGXRCSA-N 296.480 3.658 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cccnc1-c1csc(C)c1 491787695 WJJWBQOAZLUXSC-LLVKDONJSA-N 299.399 3.604 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2cc(F)ccc21 494368391 MEECPGCRUUVOPB-GDBMZVCRSA-N 288.366 3.563 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc(C(=O)N(C)C)cc1 495062118 ABEZQIOGCOWHFN-GJZGRUSLSA-N 288.435 3.784 30 20 CHED CC(C)[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1 495413701 YWUYBGPMTJFTQT-LJQANCHMSA-N 292.382 3.614 30 20 CHED C=C(C)CN(C)Cc1ccc(OC)c(OCCCC)c1 497245850 HHAPEHISEISLME-UHFFFAOYSA-N 277.408 3.882 30 20 CHED CC#CCCNC(=O)c1cc(C2CC2)nc2ccc(C)cc12 498607525 RKIBSQHTGPQRSU-UHFFFAOYSA-N 292.382 3.564 30 20 CHED CCCC[C@H](C)C(=O)N(CC)c1ccc(C#N)cc1 499888656 SBLKRQNQASVQPD-ZDUSSCGKSA-N 258.365 3.737 30 20 CHED N#CC1(COc2ccc(Br)cc2Cl)CC1 500774832 YDDBZVQDJNBXFK-UHFFFAOYSA-N 286.556 3.785 30 20 CHED C=C(C)CN(CC)Cc1ccc(OCC(F)F)cc1 505859044 ORLIYNVPUXHFNA-UHFFFAOYSA-N 269.335 3.729 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC)cc1Cl 505891941 SJSVKJZPNAULEV-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N(C)CC(C)C 508810922 FIPNCKLHQNZZNB-UHFFFAOYSA-N 284.407 3.532 30 20 CHED CCC[C@H]1CCCCN1C(=O)NCC(C)(C)CCC#N 513113793 SEBZGKVFWUYJMI-AWEZNQCLSA-N 279.428 3.681 30 20 CHED C=CCC(CC=C)C(=O)NCC(F)(F)c1ccccc1 516607917 CYIWFUMNJHHAOX-UHFFFAOYSA-N 279.330 3.663 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2ccccc2c(OCCC)n1 523961010 VDWDNAHNOSEERX-CYBMUJFWSA-N 298.386 3.718 30 20 CHED Cc1[nH]c2ccc(F)cc2c1CCN[C@H]1CCC[C@@H](C#N)C1 527997045 SVVLMFOTEPGFQY-HIFRSBDPSA-N 299.393 3.830 30 20 CHED CC#CCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 533070261 PSNBTZAQYMCZDO-MRXNPFEDSA-N 295.430 3.820 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2cc(OCC)ccc2C1 533235180 KAUYSKQQUWNDCE-UHFFFAOYSA-N 299.414 3.738 30 20 CHED CC#CCNC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 534976385 YDWNNQZAKYHODU-CYBMUJFWSA-N 290.432 3.571 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCO[C@H](CC(C)C)C1 538581962 WTJUJKGVHBJEOD-CAOSSQGBSA-N 253.430 3.770 30 20 CHED N#CCC1CCN(Cc2nc(-c3ccccc3)cs2)CC1 540995691 PJGSGBGXPQXDNP-UHFFFAOYSA-N 297.427 3.936 30 20 CHED N#CCCCNC(=O)Cc1coc2ccc3ccccc3c12 541296870 BZDIEBFICNDVMX-UHFFFAOYSA-N 292.338 3.548 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)c1ccc(F)cc1F 543236666 VZQXUAVQJSNXHK-PWSUYJOCSA-N 282.334 3.680 30 20 CHED C=CCSCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 543746394 YKSRNRKGJXGVHR-QLFBSQMISA-N 281.465 3.628 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H]1CCO[C@H](CC)C1 543802197 UTHIZOSOUKXBIJ-HUUCEWRRSA-N 294.439 3.560 30 20 CHED COc1ccc(C#N)cc1CN[C@@H](c1cccs1)C1CC1 544398498 ADQNSJLHACEECC-QGZVFWFLSA-N 298.411 3.869 30 20 CHED C=CCOCc1nc(Cc2ccc(Cl)c(Cl)c2)no1 544909875 TWVNBAIAQJBASZ-UHFFFAOYSA-N 299.157 3.670 30 20 CHED N#Cc1cc(NCCCc2cccs2)ccc1[N+](=O)[O-] 545916465 MUYDLYLGKRMFDV-UHFFFAOYSA-N 287.344 3.573 30 20 CHED Cc1cccc(C(=O)N[C@](C)(C#N)C2CCCCC2)c1F 550748767 YHPLFZCFSACLMH-QGZVFWFLSA-N 288.366 3.727 30 20 CHED N#Cc1cccc(C2(NC/C=C/c3ccccc3)CC2)c1 551580678 TYQIAWFDBCAZHT-WEVVVXLNSA-N 274.367 3.850 30 20 CHED C=CCC(C)(C)C(=O)NCC1(CCOCC)CCCC1 551853674 SCAXFYPOSPMCTM-UHFFFAOYSA-N 281.440 3.692 30 20 CHED CC[C@H](CN(CC)C(=O)[C@](C)(C#N)CC)c1ccccc1 552444148 TZVAIIYHGNCVFL-QAPCUYQASA-N 286.419 3.969 30 20 CHED CCN(Cc1ccc(C#N)cn1)c1cc(C)ccc1C 559638431 UNWKTMFSGLFGRP-UHFFFAOYSA-N 265.360 3.597 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)cn1 562383744 YXDKNUUHBGCLPS-CYBMUJFWSA-N 291.354 3.892 30 20 CHED N#CCCCOc1cccc(CN[C@H]2CCC[C@H](F)C2)c1 564960854 JMTFRIXEHIFKRJ-HOTGVXAUSA-N 290.382 3.739 30 20 CHED C=CCCCCSCc1nncn1-c1ccccc1 565823290 QCNOCYVBNDRJQA-UHFFFAOYSA-N 273.405 3.857 30 20 CHED N#Cc1cc(C(=O)N[C@H](C2CCC2)C2CC2)ccc1Cl 566546455 BKAYSWJRDNPMBU-OAHLLOKOSA-N 288.778 3.520 30 20 CHED Cc1ccc(C2(CNCCC#N)CCCC2)c(C)c1 567696901 KIFAWTBUVHYAHV-UHFFFAOYSA-N 256.393 3.619 30 20 CHED N#CCC1(CNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 570039042 PMKMHJAJJRMXRF-IAGOWNOFSA-N 296.414 3.770 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2ccc(SC)cc21 573249024 RVWQRCHIYOZDGH-ZACQAIPSSA-N 289.444 3.719 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)N1CCC(CCC#N)CC1 578885090 DKHDLOISKHVVTL-CQSZACIVSA-N 293.455 3.927 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1noc(Cc2ccccc2)n1 578939425 ASVBQAJRLGDEAU-KBPBESRZSA-N 285.391 3.666 30 20 CHED Cc1ccc(Nc2nc(CN3CC(C)(C#N)C3)cs2)cc1 580782141 WOVMOBLKXTWWEO-UHFFFAOYSA-N 298.415 3.541 30 20 CHED N#CCC[C@H](C#N)CNC[C@H]1CCCC[C@@H]1c1ccccc1 581300590 WEVMWXZLVZYPJA-BHIYHBOVSA-N 295.430 3.994 30 20 CHED Cc1cc(NCc2ccccc2COC(C)C)cc(C#N)n1 583160558 HRGWULGMSBRHCC-UHFFFAOYSA-N 295.386 3.799 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(C2CC2)CC1 590008668 QEIRHOWLHVBCHL-CYBMUJFWSA-N 254.377 3.741 30 20 CHED Cc1cc(-c2ccccc2)ccc1NC(=O)N1CC(C#N)C1 590104817 PJUUQGVCYCBJIM-UHFFFAOYSA-N 291.354 3.649 30 20 CHED C=CCC(C)(C)c1noc(C(C)(C)CSC)n1 590280917 KKYYONDHICLGSJ-UHFFFAOYSA-N 254.399 3.564 30 20 CHED C[C@@H]1SCC[C@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 592400502 UXEVREXUOUZVMQ-JCURWCKSSA-N 286.444 3.809 30 20 CHED CCCc1ccc(CCCC(=O)N(C)C2(C#N)CCC2)cc1 592614885 MLCIOVNXXXFCBG-UHFFFAOYSA-N 298.430 3.866 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 593398087 DMDYPJYWHMCXGR-NWDGAFQWSA-N 270.332 3.502 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CCCc1ccc2c(c1)CCCC2 593417753 ZGDNGCQITNXARO-HNNXBMFYSA-N 298.430 3.506 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(N2CCCCCC2)c1 593483219 ZSVAXWFSLXWNCH-AWEZNQCLSA-N 285.391 3.555 30 20 CHED CC[C@@H](COc1ccc(C#N)c(F)c1)CC(F)F 594887235 IRSSLQNWXKXNCI-SECBINFHSA-N 257.255 3.758 30 20 CHED CCN(CCOc1ccc(Cl)cc1Cl)[C@H](C)C#N 595814781 IWRVDMNYZJHMHR-SNVBAGLBSA-N 287.190 3.606 30 20 CHED Cc1c(C#N)c(N2C[C@@H]3CCCC[C@@H]32)nc2ccccc12 596294473 KCBAVHSYBSRNNN-GUYCJALGSA-N 277.371 3.794 30 20 CHED Cc1cccc(OCCSCC2(CC#N)CC2)c1 596324229 MJMVEULZXMYFIE-UHFFFAOYSA-N 261.390 3.801 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2C)C1 596705991 AAJYMFZSZBAWLL-CQSZACIVSA-N 283.375 3.687 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NCC1(C#N)CC1 597122126 WAENMDLUPLNJMZ-AWEZNQCLSA-N 262.784 3.554 30 20 CHED C/C(=C/c1ccccc1)CN1CCC[C@@H](CC#N)C1 597173345 JFAJXSVRNNQQOP-KSVUCXBSSA-N 254.377 3.716 30 20 CHED CC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccncc1 597291198 DMVLKRFFTBSARP-OAHLLOKOSA-N 285.391 3.513 30 20 CHED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1O 597385659 MJTYQKQHIYSQAD-UHFFFAOYSA-N 272.348 3.503 30 20 CHED CCCCc1ccc(CC(=O)N2CCC[C@@H](CC#N)C2)cc1 597916918 UPBMHTVRRDXNNW-SFHVURJKSA-N 298.430 3.724 30 20 CHED CC1CC(C#N)(C(=O)N2CCC[C@@H](C3CCCCC3)C2)C1 598473158 WHTJEDHGQXDDSD-BFHRDPOASA-N 288.435 3.745 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2ccc(F)c(C#N)c2)C1 600227282 FUZPZHYILOHPIX-UHFFFAOYSA-N 288.366 3.738 30 20 CHED CSCc1ccc(CNC[C@@H](C)CCC#N)cc1 602655257 OASTUPKNFJNTNK-ZDUSSCGKSA-N 262.422 3.579 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCCCN1CCCCC1 603112350 XDTRHIDCCSFEPZ-KRWDZBQOSA-N 299.462 3.817 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C)cc1 604900721 DIXHZXPKNAEQFP-GDBMZVCRSA-N 272.392 3.806 30 20 CHED Cc1cncc(C)c1C(=O)Nc1sc(C)c(C)c1C#N 610752670 NXJWTOYGFPXAFZ-UHFFFAOYSA-N 285.372 3.501 30 20 CHED N#Cc1ccc(OCC#Cc2cccc(Cl)c2)cc1F 610946312 VPWJRWZAESJRSL-UHFFFAOYSA-N 285.705 3.781 30 20 CHED CCCC[C@@H](CC)CC(=O)N1CCC[C@@](C)(C#N)C1 612371404 LFPWLEDGEUOOKA-ZBFHGGJFSA-N 264.413 3.745 30 20 CHED CN(C/C=C\c1ccc(F)cc1F)Cc1ccc(C#N)cc1 612576522 VLXSNCLFDGAPFZ-IHWYPQMZSA-N 298.336 3.982 30 20 CHED C=CCC[C@@H](NC(=O)c1conc1CC)c1ccccc1 612709155 XEJVJNWATWGVKL-MRXNPFEDSA-N 284.359 3.674 30 20 CHED Cc1cncc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 613512261 BZZKYACCUARDIB-KBPBESRZSA-N 265.360 3.674 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)c2ccccc2)C1 617779957 LMKDBTYCRVSRLM-LSDHHAIUSA-N 257.377 3.605 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cnc3ccc(F)cc3c2)C1 617781691 RRHMLIPCUYDUAG-CYBMUJFWSA-N 298.361 3.802 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)c2ccccc2F)C1 617784067 MQQOBJHKGRFFJH-KBPBESRZSA-N 275.367 3.744 30 20 CHED C=CCC1(NC(=O)C[C@@H](C=C)c2ccccc2)CCOCC1 618248614 OAYSKXIYOCCFEE-MRXNPFEDSA-N 299.414 3.588 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(C#N)c1 619746663 FQMJICHFRKZARN-GFCCVEGCSA-N 295.773 3.934 30 20 CHED C=CCCC(C)(C)NC(=O)CSc1ccccc1OC 620858050 UIZLMBOQXGQOED-UHFFFAOYSA-N 293.432 3.648 30 20 CHED C=CCN(C(=O)c1ccc(C(F)(F)F)nc1)C(C)(C)C 622943951 YOJZLJYURQMVRW-UHFFFAOYSA-N 286.297 3.527 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC1(C)CCOCC1 657925120 BDSYFWAHEJLABN-HUUCEWRRSA-N 251.414 3.528 30 20 CHED C=CCCNC(=O)N1CCC[C@H]1c1ccc(F)cc1C 661566015 WRAIKZCJQPQPEX-HNNXBMFYSA-N 276.355 3.557 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1ccsc1 664839787 NRXFWCMRLVATSE-NSHDSACASA-N 266.410 3.853 30 20 CHED C=CCC1(NC(=O)Nc2cnn(CC(C)C)c2)CCCC1 666218636 XCYOXUVNRGDJSD-UHFFFAOYSA-N 290.411 3.550 30 20 CHED C=CCc1ccccc1OCC(=O)N(CC)c1ccccc1 668531328 RNNXEAMBPTUBAI-UHFFFAOYSA-N 295.382 3.847 30 20 CHED Fc1ccc(C#CCN2CC[C@H]2c2cccc(F)c2)cc1 676627084 MNGYGSFOGIHIMI-SFHVURJKSA-N 283.321 3.763 30 20 CHED CCC#C[C@@H](C)Sc1nnc(-c2ccccc2C)n1C 677131623 QFCZMQOMVCSCHA-CYBMUJFWSA-N 285.416 3.685 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)c1cnccc1C)c1ccccc1 678423477 LCWSTWPTTQZGLE-HZPDHXFCSA-N 294.398 3.927 30 20 CHED C#CCCCCC(=O)N[C@H](c1ccc(F)cc1)C(C)C 692917436 MGUFUINEFFOACH-KRWDZBQOSA-N 275.367 3.833 30 20 CHED CN(CCC#N)c1ccc(CNC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 725852261 KAOOSDNDVQHKRH-BZSNNMDCSA-N 297.446 3.562 30 20 CHED Fc1cccc(C=NNc2ccc(OC(F)F)cc2)c1 726427363 WCTWJOQCXDWGAV-UHFFFAOYSA-N 280.249 3.873 30 20 CHED Cn1cc(C(=O)/C=C\c2cccc(C#N)c2)c2ccccc21 726740626 MKMXVUHPNHEWLA-KTKRTIGZSA-N 286.334 3.946 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)cc1 726876022 CMVBHBWMHRFJQR-BQYQJAHWSA-N 295.169 3.931 30 20 CHED Cc1cccc(N(C)C(=O)/C=C\c2ccccc2C#N)c1 727093141 KEKWTKWHFYUYBM-KHPPLWFESA-N 276.339 3.543 30 20 CHED Fc1cccc(C=NNc2cccc3cnccc23)c1 728432280 QAJIMEPNMQXDOA-UHFFFAOYSA-N 265.291 3.820 30 20 CHED C#CCCCOC(=O)C(C)(C)c1ccccc1Cl 729072883 BPDPONIMLGZCPQ-UHFFFAOYSA-N 264.752 3.574 30 20 CHED Cc1cc(C=NNc2oc(C(C)C)nc2C#N)ccc1F 729145498 SCVPQDVIUJRPPA-UHFFFAOYSA-N 286.310 3.563 30 20 CHED CC[C@@H](CC(=O)OCc1ccc(C#N)cc1F)C(C)C 729761519 KYJZXHVEDICRQV-ZDUSSCGKSA-N 277.339 3.813 30 20 CHED CCCCCCC(=O)N[C@](C)(C#N)C1CCCCC1 734240573 PQCQSCLRYOZQBJ-MRXNPFEDSA-N 264.413 3.936 30 20 CHED c1ccc2c(OCCON=C3CCC3)cccc2c1 735490316 VMECGSVXMBYVPI-UHFFFAOYSA-N 255.317 3.775 30 20 CHED Cc1noc([C@H](C)ON=Cc2ccc(C(C)(C)C)cc2)n1 736296570 HFAVEFCQMUBTJK-NSHDSACASA-N 287.363 3.787 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@H](C)c1ccc(C)cc1C 736398087 UJWXSIUVJCKURT-CYBMUJFWSA-N 280.799 3.758 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2F)C12CCC2 741162740 CYDGWYUSPWCRAZ-AWEZNQCLSA-N 262.328 3.573 30 20 CHED CC/C(=C/C(=O)N[C@H](C#N)CC(C)C)c1ccc(C)cc1 741680573 IKOFYYUHBLGPEW-HKBKRHGFSA-N 284.403 3.843 30 20 CHED C=CCOCCCC(=O)N(C)c1ccc(C(C)(C)C)cc1 742571471 NTCUBEWKAFPWCI-UHFFFAOYSA-N 289.419 3.930 30 20 CHED C=CCOc1ccc(OC(=O)/C=C\c2ccsc2)cc1 742860656 BZAUTTGFLXBRAS-BAQGIRSFSA-N 286.352 3.932 30 20 CHED C[C@H](NN=C1CCCc2cc(C#N)ccc21)c1ccccc1 743435981 OWEHYRAJUSGYOK-AWEZNQCLSA-N 289.382 3.949 30 20 CHED C=C(C)CCOC(=O)c1ccc(C(F)(F)F)cc1 744303149 OFTWMJRAPSLMBX-UHFFFAOYSA-N 258.239 3.828 30 20 CHED CCC(C)(C)CCOC(=O)/C=C\c1ccccc1C#N 744341973 ILWMECDVEUSQTD-KTKRTIGZSA-N 271.360 3.941 30 20 CHED CC(=NNc1cc(C)nc(C)n1)[C@@H](C)c1ccccc1 746369572 WSVLIFLXGWEZCG-GFCCVEGCSA-N 268.364 3.685 30 20 CHED CCC(COC)=NNc1ccc(C(F)(F)F)cc1 746577977 JIWBJVQOPWBORX-UHFFFAOYSA-N 260.259 3.530 30 20 CHED C[C@H]1CC(=NNc2nc(O)c3ccccc3n2)C[C@H](C)C1 747766247 QAHJUJBLGDKIRQ-GHMZBOCLSA-N 284.363 3.559 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 748149479 ZKUNGOGYTLVRIN-VMPITWQZSA-N 297.310 3.813 30 20 CHED Cc1cccc(C(=O)/C=C\c2cnc3cccc(C)n23)c1 749000393 YBUZQTVRQWYQHT-KTKRTIGZSA-N 276.339 3.847 30 20 CHED COc1ccc(NN=Cc2c[nH]c3ccc(OC)cc23)cc1 750925135 QHGSZBQFVQZHSF-UHFFFAOYSA-N 295.342 3.631 30 20 CHED C/C(=C/C(=O)N[C@@H](C)CC#N)C12CC3CC(CC(C3)C1)C2 751393256 OVNHDIODNIIACP-GOKYHYKJSA-N 286.419 3.567 30 20 CHED CCCC(CCC)C(=O)Oc1ccc(C#N)cc1F 753208922 MSKCRZDGEVFIBH-UHFFFAOYSA-N 263.312 3.819 30 20 CHED N#Cc1cc(C(=O)OC/C(Cl)=C/Cl)ccc1Cl 754917218 GYJNPCCTYVFLAN-WTKPLQERSA-N 290.533 3.687 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(O)c1 757474490 BUHUORUZCDOSKJ-VQHVLOKHSA-N 283.283 3.505 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C)cc2O)c1 757474683 DBLGBEFLXOTSDV-CLFYSBASSA-N 268.312 3.605 30 20 CHED FC(F)CON=Cc1ccc(Cl)c2cccnc12 758910633 JIRKEIRAGJEOBO-UHFFFAOYSA-N 270.666 3.504 30 20 CHED N#Cc1ccc(F)cc1COC(=O)CCCc1ccccc1 759354513 QRXRKDPRWJVRTL-UHFFFAOYSA-N 297.329 3.763 30 20 CHED CCC(CC)CC(=O)OCc1cc(F)ccc1C#N 759413759 NVHLPDBLJHQRMK-UHFFFAOYSA-N 263.312 3.567 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)CC2(C)CC2)n1 759550656 UYNUGXZSCRUPMF-JTQLQIEISA-N 262.378 3.633 30 20 CHED CCOC(=O)[C@@H]1CCC(=NOCc2ccccc2)[C@H](C)C1 761253839 LDAIGDCYZXCQOK-UKRRQHHQSA-N 289.375 3.559 30 20 CHED C#CCCCCc1nc(-c2ccc3ncccc3c2)no1 761775631 UJNYPUJHKSCAPQ-UHFFFAOYSA-N 277.327 3.631 30 20 CHED COc1cc(F)ccc1NN=C(C)c1sccc1OC 761890996 RYSRMRAYDUKVEV-UHFFFAOYSA-N 294.351 3.741 30 20 CHED COc1ccc(CNN=Cc2ccc(F)cc2Cl)cc1 767777634 WJQNRXQFEOMEQI-UHFFFAOYSA-N 292.741 3.611 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1cccc(C#N)c1 768192628 QUIPLYDPOIUIKF-CYBMUJFWSA-N 265.312 3.785 30 20 CHED C[C@@H](C#N)CNN=Cc1ccc(-c2ccc(Cl)cc2)o1 771108917 VWAGQYLILNDCTN-NSHDSACASA-N 287.750 3.683 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccncc1 772065981 SZDUDTOGHQCEPY-GJZGRUSLSA-N 272.392 3.641 30 20 CHED C#CCCOc1c(C=O)cc(Cl)c2ccccc12 774665238 IARWSMCUXBDPQQ-UHFFFAOYSA-N 258.704 3.708 30 20 CHED C#CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 776170031 HCFRDZYWZRRWTL-KXBFYZLASA-N 274.367 3.973 30 20 CHED CC(C)(C#N)CCOC(=O)CSc1ccc(Cl)cc1 776361592 RPDZDLLMHFRCGI-UHFFFAOYSA-N 297.807 3.915 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(Cl)ccc1F 776365820 IUCMAVAUHFLGNL-UHFFFAOYSA-N 269.703 3.576 30 20 CHED Oc1cccc(/C=N/Cc2ccc(Cl)cc2F)c1O 777402544 ZTZUZTRCIBFYGO-CAOOACKPSA-N 279.698 3.509 30 20 CHED Cc1ccc(C=NNc2ccccc2OC(F)(F)F)o1 777453161 MHJQWEDDXSLDIZ-UHFFFAOYSA-N 284.237 3.933 30 20 CHED N#Cc1ccc(OCc2ccc(CF)cc2)cc1F 777535418 QHWUUIAVRLFQMS-UHFFFAOYSA-N 259.255 3.746 30 20 CHED N#Cc1c(F)cccc1C(=O)Oc1cccc(Cl)c1F 777793871 GECHKPJMUFBFOS-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccncc1 778536612 ZNDAVBRKJHWHQO-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C#CCCCCCC(=O)N(CC)c1cccc(F)c1 779830854 MRWHFCLFEPZLPA-UHFFFAOYSA-N 261.340 3.762 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](c2ccccc2)C1 779882475 VSIGRJWNDXRMRW-KRWDZBQOSA-N 269.388 3.586 30 20 CHED C#CCCCCCC(=O)NCc1cc(-c2ccccc2)on1 779899682 SHSSDXLKRPTLSN-UHFFFAOYSA-N 296.370 3.542 30 20 CHED CC1(C)C[C@@H](NN=Cc2csc3ccccc23)CCO1 780240777 HXEBKSWXJSDECB-ZDUSSCGKSA-N 288.416 3.782 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)C1C(C)(C)C1(C)C 780251190 AOICQXAZTHMERE-GFCCVEGCSA-N 266.429 3.592 30 20 CHED Fc1ccc(C2=CCC(=NN[C@H]3CCCOC3)CC2)cc1 780263762 XLWADMHGEWMSBG-KRWDZBQOSA-N 288.366 3.518 30 20 CHED N#CCc1ccccc1CC(=O)OC1(c2ccccc2)CC1 781750526 LINXCZZUNKDLIQ-UHFFFAOYSA-N 291.350 3.528 30 20 CHED Clc1cnc(NN=C[C@H]2CCSC2)c(Cl)c1 782152737 RQIZKYUUJIWQGV-SSDOTTSWSA-N 276.192 3.539 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc2cnccc2c1 782284873 LLHNKOWMEUHRHX-UHFFFAOYSA-N 295.317 3.829 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ncoc1-c1ccccc1 783633380 OKUIHPZPDFECFM-UHFFFAOYSA-N 298.342 3.828 30 20 CHED CCc1ncc(C=NNc2ccc(C#N)c(Cl)c2)s1 783878524 XGQHRTSRBXTOFJ-UHFFFAOYSA-N 290.779 3.677 30 20 CHED CCCCCCCN1CCC([C@@H]2CCCO2)CC1 784362484 UDVQQCKDQRRYRT-INIZCTEOSA-N 253.430 3.848 30 20 CHED Cc1cc(O)c(CN[C@H]2CCc3cc(C#N)ccc32)cc1C 785617838 WEFSCMJXHDLRPT-SFHVURJKSA-N 292.382 3.658 30 20 CHED CCS[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)C(C)C 785823669 ILWDVESWFREEMA-KBPBESRZSA-N 283.437 3.780 30 20 CHED CC(=NNC1CCCCC1)c1ccc(C(C)(C)O)cc1 786040567 OUNHGHWPUZAYHT-UHFFFAOYSA-N 274.408 3.560 30 20 CHED CC[C@@H](CC#N)OC(=O)CCc1c[nH]c2cc(C)ccc12 787092889 LDDSBGLBXJXDRP-AWEZNQCLSA-N 284.359 3.644 30 20 CHED C[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(C)(C)C 787232741 ODGWJLOPWUHLDE-BLLLJJGKSA-N 299.418 3.527 30 20 CHED C#CCC1(C(=O)NCc2ccc(C)cc2C)CCCCC1 788170856 OWAGUIKTWPOYJD-UHFFFAOYSA-N 283.415 3.893 30 20 CHED CC(=NN[C@H]1CCOC1)c1ccc(-c2cccs2)cc1 788439917 OUCMWOLXLOHVMU-HNNXBMFYSA-N 286.400 3.518 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC23CCCC3)c1 788698194 SUWKDVGCHRQVER-UHFFFAOYSA-N 259.309 3.717 30 20 CHED C[C@@H](ONC(=N)c1cccc(Cl)c1)c1cccc(C#N)c1 789740519 XRZKBFNIFIJNTO-LLVKDONJSA-N 299.761 3.819 30 20 CHED CC(C)(C)c1cnc(/C=C2\Cc3cc(O)ccc3C2=O)s1 790610104 RMGZNWLUKSXXJV-DHZHZOJOSA-N 299.395 3.969 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ncc(Cl)n1C 791567462 YPOMUWFBXQTPAS-UHFFFAOYSA-N 289.810 3.652 30 20 CHED CO[C@H](C(C)=NNc1cccc(Cl)n1)c1ccccc1 793174055 HHIHHMQIQDCFGI-OAHLLOKOSA-N 289.766 3.911 30 20 CHED C=CCCCCC[C@@H](C)NCCc1cn2c(n1)CCCC2 793527725 UFGNHOSYGMKFKU-MRXNPFEDSA-N 289.467 3.877 30 20 CHED CC(C)n1nccc1/C=C1\Oc2ccc(Cl)cc2C1=O 794942568 OKCJVYSASTWXRV-ZSOIEALJSA-N 288.734 3.734 30 20 CHED CC1(C)CC(=NNc2cccc(F)n2)c2ccccc21 795007214 UXFZWXMUTMUKJS-UHFFFAOYSA-N 269.323 3.718 30 20 CHED C=C(CC)COC(=O)c1ccc(C(C)(C)C#N)cc1 796039773 JZSRGXZSRQDLQR-UHFFFAOYSA-N 257.333 3.611 30 20 CHED C#CCOc1ccc(NC(=O)c2cc(C(C)C)oc2C)cc1 796265027 COUXXKAASCHVOX-UHFFFAOYSA-N 297.354 3.976 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H](C)c1nc2ccccc2o1 797956649 KVHFXFWEWSZUSF-JTQLQIEISA-N 296.282 3.519 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc(Cl)cc1 798375560 KEBJNTNFSUTBHH-LLVKDONJSA-N 268.813 3.981 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc(CC)cc1 798376432 YODLQTPHTXXQHC-CYBMUJFWSA-N 262.422 3.890 30 20 CHED CCc1cc(C#N)ccc1OC(=O)/C=C/c1scnc1C 799444876 ZWVHWXUAFMJFDU-VOTSOKGWSA-N 298.367 3.504 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cnc(C)nc1C 799493765 OLYVNNITXLZEFH-UHFFFAOYSA-N 282.391 3.800 30 20 CHED CCCCCCCS(=O)(=O)Oc1cccc(C(C)=O)c1 799743370 COLGEJUYGSFMIZ-UHFFFAOYSA-N 298.404 3.568 30 20 CHED COc1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1F 799891618 ALGODALVLFRWND-UKTHLTGXSA-N 298.313 3.752 30 20 CHED FCCC[C@@H]1CCCC1=NN[C@H]1C[C@H]2CC[C@H]1C2 800815137 MZGBYVMTZFAZOK-ABHRYQDASA-N 252.377 3.670 30 20 CHED COC(=O)c1c(F)cccc1NN=C/C=C/c1ccccc1 800818746 MRJUQSLKRYMPPR-ZCHOPRNZSA-N 298.317 3.723 30 20 CHED Cc1c(CSC(C)C)cccc1NCCO[C@H](C)C#N 802743448 LPGFCDLZFILRFN-CYBMUJFWSA-N 292.448 3.977 30 20 CHED C=CCCCCCCNC(=O)NC[C@H](C)c1nccs1 805278643 HAXPWFIHJYLQFG-ZDUSSCGKSA-N 295.452 3.682 30 20 CHED Cc1c(C(=O)O[C@H](C)CC#N)sc2cc(F)ccc12 805882347 VKCACJVLZPBKDF-MRVPVSSYSA-N 277.320 3.808 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cccc(C)c1F 806390705 MUHKSRBNTVVZON-UHFFFAOYSA-N 296.345 3.801 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)Cc1cccc(Cl)c1)C(C)(C)C 807884787 XKHWRUKLOGJNTG-IUODEOHRSA-N 291.822 3.683 30 20 CHED CCCC(=NNc1nc[nH]n1)c1ccc(Cl)c(Cl)c1 807995481 DMOKWFNTGBHULM-UHFFFAOYSA-N 298.177 3.728 30 20 CHED C#CCCc1noc(-c2ccc(F)c3ccccc23)n1 809396495 JRICXADFEYAQFM-UHFFFAOYSA-N 266.275 3.595 30 20 CHED C#CCCc1noc([C@H](C)c2ccc(C(F)(F)F)cc2)n1 809398194 SXBNAKWKAINJBJ-SNVBAGLBSA-N 294.276 3.806 30 20 CHED C#CCCCc1nc(CCCc2ccccc2Cl)no1 809410233 XVZVKUQZRISLEF-UHFFFAOYSA-N 288.778 3.854 30 20 CHED C[C@@H](OC(=O)C1(F)CCCCC1)c1cccc(C#N)c1 810568246 KIMMSCSLZNMZCS-GFCCVEGCSA-N 275.323 3.835 30 20 CHED CSc1ccc([C@H](C)OC(=O)c2cccc(C#N)n2)cc1 810834301 OWFZKPZXJRKJCB-NSHDSACASA-N 298.367 3.593 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cc(Cl)cc(Cl)c1 811221828 QFSUBYZPUWZZIC-CYBMUJFWSA-N 286.158 3.976 30 20 CHED CCC(=NNc1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 811649250 GFGGMJDOJGMCTL-UHFFFAOYSA-N 286.423 3.814 30 20 CHED FC(F)(F)C1CCC(C=NNC[C@H]2CCSC2)CC1 811657070 DGOVMELLBUKGRX-MOENNCHZSA-N 294.386 3.684 30 20 CHED Cc1ccc(F)cc1C=NN[C@H](C)COc1ccccc1 811668821 UGUNBVWOUJQHQD-CQSZACIVSA-N 286.350 3.525 30 20 CHED Fc1ccc2c(c1)C(=NOC/C=C\Cl)CCS2 811671448 RRNAHGOUMBEGFT-VPTHNOSGSA-N 271.744 3.795 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc(C)cc1 812443557 VCGQKOXMXOSLGZ-UHFFFAOYSA-N 268.316 3.529 30 20 CHED Clc1ccc(NN=Cc2ncc(Cl)s2)cc1 814683921 WGADHSYPOKSPTN-UHFFFAOYSA-N 272.160 3.896 30 20 CHED Cc1sc2ncnc(NN=C3CC[C@H]3C3CC3)c2c1C 814726606 YMAHXODWRXWAHF-NSHDSACASA-N 286.404 3.896 30 20 CHED FC(F)CNN=C1CCCC[C@H]1C1=CCCCC1 814853870 YOALEZCCPOXPEB-LBPRGKRZSA-N 256.340 3.888 30 20 CHED C1=CC[C@@H](C=NNc2nnc(-c3ccccc3)s2)CC1 814949167 VRGXVIFBPOBFOH-GFCCVEGCSA-N 284.388 3.959 30 20 CHED CCOc1ccc(NN=C(C)c2ccc3n[nH]cc3c2)cc1 814985112 SAVZFLOQFNMFEM-UHFFFAOYSA-N 294.358 3.798 30 20 CHED C#C[C@@H](NC/C(C)=C\c1ccccc1COC)C(C)(C)C 816612347 MSQPPPFKEMSVRW-WTQUMQLASA-N 285.431 3.874 30 20 CHED COc1cccc(NN=C2CCCCc3ccc(N)cc32)c1 817322814 LWSDSTFASGEGBQ-UHFFFAOYSA-N 295.386 3.820 30 20 CHED CC(C)(C)c1csc(NC(=O)N2CCCC2)c1C#N 821481557 LSJGNWLNWRCXHP-UHFFFAOYSA-N 277.393 3.545 30 20 CHED C[C@H](NC(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 821488932 RWGRUCIJYVFHKH-VIFPVBQESA-N 291.420 3.837 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C#Cc2cccs2)C1 825178682 AJBNNLSOHPYTJM-SUMWQHHRSA-N 287.428 3.527 30 20 CHED C=CCCCCN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 827601169 FFMWYVYYPNZYRU-HNNXBMFYSA-N 296.455 3.579 30 20 CHED Cc1cc(OC(=O)O[C@@H](C)CC(C)C)ccc1C#N 831281341 UZZDTXACMASHHG-LBPRGKRZSA-N 261.321 3.817 30 20 CHED CC(=NNc1cccc(Cl)c1F)[C@H]1C[C@H]2CC[C@H]1O2 834948506 WPHLWVRCEUYZMM-GIPNMCIBSA-N 282.746 3.834 30 20 CHED CC(C)c1ccc(NN=Cc2cnn(C)c2Cl)cc1 835018574 QLVOCSNKDMHAEL-UHFFFAOYSA-N 276.771 3.643 30 20 CHED C/C=C(/C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 836819314 OWIMIRCYIFXDCW-WDZFZDKYSA-N 272.348 3.640 30 20 CHED C#CCCCCNC(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 838517873 XSMPXZXLMCDIPO-RYRKJORJSA-N 298.430 3.766 30 20 CHED C[C@H](C#N)Oc1ccc(CN2Cc3cccc(F)c3C2)cc1 839184625 WGFXPEJSZWIJHH-CYBMUJFWSA-N 296.345 3.632 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccc(OC(C)C)cc1 840796738 NJPBSFMVJRUJGZ-UHFFFAOYSA-N 292.448 3.972 30 20 CHED C#C[C@@H](OC(=O)[C@H](CC)OCC)c1ccc(Cl)cc1F 842353510 NKOXYUFOJLVZTL-KGLIPLIRSA-N 298.741 3.512 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCC(F)(F)CC1 842525842 CZQBMUFIEASSMO-UHFFFAOYSA-N 283.278 3.880 30 20 CHED C#CCN(C(=O)c1cccc2ccncc12)C1CCCCC1 843538613 ZALCYAGMEYTBAM-UHFFFAOYSA-N 292.382 3.643 30 20 CHED C=CC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccncc1 846144243 KAZUDXYSVJALES-CZUORRHYSA-N 298.386 3.764 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(C(F)F)cc1F)C(C)C 847659446 PKSPCKIPQPGWLV-CYBMUJFWSA-N 284.277 3.968 30 20 CHED CC[C@@H]1CCCC[C@H]1C=NNc1ccc(CC(=O)O)cc1 848414643 PYSHWMPTNYLYCY-CABCVRRESA-N 288.391 3.928 30 20 CHED CCc1ccc(NC(=N)NCC2CCC(C#N)CC2)cc1 849026879 YJISXUGZKKVVPM-UHFFFAOYSA-N 284.407 3.515 30 20 CHED C[C@]1(COC(=O)CC2(C#N)CCCCC2)C[C@@]1(F)Cl 851098348 RPTZPWBCIVLHJZ-OCCSQVGLSA-N 287.762 3.708 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1nc(C)oc1C 851142159 GJLJWMMSNVYPKY-STQMWFEESA-N 263.337 3.583 30 20 CHED Cc1cccc([C@@H](C)C(=O)O[C@H](C)CC(C)(C)C#N)c1 851209510 MHZVAHXXIXDKQU-ZIAGYGMSSA-N 273.376 3.970 30 20 CHED C=CC(C)(C)CCOC(=O)[C@@H]1CCO[C@@H](CCC)C1 851299538 PVRLDCJYPFJYDN-KGLIPLIRSA-N 268.397 3.727 30 20 CHED C=C[C@H](OC(=O)C=C1CCSCC1)c1ccccc1 851452484 TUKMQSRJXINDCB-HNNXBMFYSA-N 274.385 3.910 30 20 CHED CSc1cc(C)c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)o1 853130442 ZADHEZHNMXVIAX-MNOVXSKESA-N 279.361 3.549 30 20 CHED Cc1ccc(C#N)c(Nc2ccc3c(c2)[C@@H](O)CCCC3)n1 853812360 GPWIWEPUVJXHLZ-KRWDZBQOSA-N 293.370 3.765 30 20 CHED CCc1c(C)sc(NC(=O)Cc2occc2C)c1C#N 857583206 PWRSXIRDFIVHNH-UHFFFAOYSA-N 288.372 3.573 30 20 CHED CCOc1ccc(NN=C(C)c2nc(C)cs2)cc1 863117055 HMWQORWOHYNYAO-UHFFFAOYSA-N 275.377 3.686 30 20 CHED Cc1nc(Cl)ccc1N[C@H](C)CC1(C#N)CCOCC1 877487642 CDKMKBRZYFZTBW-LLVKDONJSA-N 293.798 3.554 30 20 CHED C=CC(C)(C)CC(=O)OCc1nc([C@@H](C)SCC)no1 884650079 XWJGXNOQJNYTPO-SNVBAGLBSA-N 298.408 3.529 30 20 CHED C=C1CCC(C(=O)Oc2ccc([C@@H]3CCOC3)cc2)CC1 890197800 IEFWLHPDTJMBFY-MRXNPFEDSA-N 286.371 3.842 30 20 CHED C=CCC1(N[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CCOCC1 895365901 HNINMLSXZQAFBL-CABCVRRESA-N 295.467 3.684 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc(-c2cnco2)cc1 898065524 NYOMNNXGSSEVLM-UHFFFAOYSA-N 284.359 3.560 30 20 CHED Cc1ccc([S@@](=O)CCCCC2(C#N)CCC2)cc1 899275938 KTTIQJYWRBXMMA-IBGZPJMESA-N 275.417 3.967 30 20 CHED CC(C)(C#N)CCCn1nc(-c2ccccc2)nc1Cl 902701446 JAHNQIZGVPZSEN-UHFFFAOYSA-N 288.782 3.928 30 20 CHED CC(C)[C@H](NCC(C)(C)C#N)c1ccc(F)cc1F 903102307 VZEQUPBQDMSSJM-AWEZNQCLSA-N 266.335 3.801 30 20 CHED C[C@H]1C[C@@H](NCC2(C#N)CC2)c2ccsc2S1 903106048 LRPXSKNYJIYFIV-GXSJLCMTSA-N 264.419 3.567 30 20 CHED C=CCCC[C@H](N)c1nc(-c2cccc3[nH]ccc23)no1 904563101 HOCVHSYFBCGQQK-ZDUSSCGKSA-N 282.347 3.574 30 20 CHED C=CCCCCCN[C@@H](C(=O)O)c1cc(C)cc(C)c1 905390673 JWOYWVDDTUZKNR-MRXNPFEDSA-N 275.392 3.765 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc2ccsc12 907113233 DIXYITUGGDLZED-JSGCOSHPSA-N 287.384 3.821 30 20 CHED C=CCN(C(=O)c1cc2ccccc2cc1OC)C(C)C 914683164 IXJNWVJBIIEGTJ-UHFFFAOYSA-N 283.371 3.885 30 20 CHED Cc1ccc(C/N=C\c2cc([N+](=O)[O-])ccc2O)c(C)c1 915981345 QKJJTNWEEYHQAM-YVLHZVERSA-N 284.315 3.536 30 20 CHED CCOc1cccc(C/N=C\c2cc(OCC)ccc2O)c1 915981786 GXCSEVIJOAAIHW-UYRXBGFRSA-N 299.370 3.809 30 20 CHED Oc1ccccc1/C=N\CC1(c2ccc(F)cc2)CC1 915982094 OOVUIWGCVDXBRG-ODLFYWEKSA-N 269.319 3.682 30 20 CHED O=[N+]([O-])c1cc(C=NNc2cccc(Cl)c2)cs1 917531347 KPOKILWRYSXQBL-UHFFFAOYSA-N 281.724 3.756 30 20 CHED Cc1ccc2c(C=Nn3cnc4ccccc43)c[nH]c2c1 917541050 KWLURGNMGAWPTK-UHFFFAOYSA-N 274.327 3.708 30 20 CHED Cc1nn(C)c(C)c1C=NN[C@@H](C)c1ccc(C(C)C)cc1 917551296 IJKBIVLAFYXZBH-ZDUSSCGKSA-N 298.434 3.845 30 20 CHED C=CCN(C(=S)Nc1ccc(C)c(F)c1)C(C)C 917589216 LARYQANLHNCUGD-UHFFFAOYSA-N 266.385 3.727 30 20 CHED C=CCN(C(=O)c1cc(-c2ccccc2F)on1)C(C)C 918154728 HWXHXFBRUNMKTO-UHFFFAOYSA-N 288.322 3.517 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCCOc2ccc(F)cc21 920174778 QBZDQBUFXUVSTO-SKCQWOFPSA-N 285.318 3.864 30 20 CHED CC(CCc1cccc(F)c1)=NNc1ccccn1 920365306 RMRSETLRMFEQDE-UHFFFAOYSA-N 257.312 3.641 30 20 CHED C=C(Cl)CN(CCc1ccccc1)CC(C)C 921113344 YBULSQJWNQNYEO-UHFFFAOYSA-N 251.801 3.940 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1c(F)cccc1Cl 921225423 AZKNJGKPZQATHX-SNVBAGLBSA-N 286.730 3.504 30 20 CHED C=CCCc1noc(-c2ccsc2C(F)F)n1 924083188 DJQHSFOXDASAIQ-UHFFFAOYSA-N 256.277 3.854 30 20 CHED C[C@@H](NCCSCc1ccccc1C#N)C1(Cl)CC1 924812650 WSAQWWQQKCWPIN-GFCCVEGCSA-N 294.851 3.541 30 20 CHED Cc1cc([C@@H]2CCCN2CCCCC2(C#N)CCC2)on1 929286964 ADVLJBROALUJBV-HNNXBMFYSA-N 287.407 3.984 30 20 CHED CCC(CC)N(C(=O)c1cc(C#N)ccc1C)C1CC1 931513709 HJTZVVIAWFIJGG-UHFFFAOYSA-N 270.376 3.660 30 20 CHED CC(C)CN(Cc1ccccn1)[C@@H](C#N)c1ccccc1 932448650 UROUAFKGTIVCAE-SFHVURJKSA-N 279.387 3.804 30 20 CHED CC(C)=CCC[C@H](C)CC=NNCC1CCOCC1 1116076887 LFJVSRQKEWRFRH-HNNXBMFYSA-N 266.429 3.761 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1cccc(CC#N)n1 1116636381 MWFMENQTUSTFDU-OCCSQVGLSA-N 257.381 3.774 30 20 CHED C[C@H]1C[C@H](C(=O)O)CCC1=NNc1ccccc1Cl 1117739906 TWSKOIXPHWQZCU-VHSXEESVSA-N 280.755 3.629 30 20 CHED CC(CCCCC#N)=NNc1ccc(C(C)(C)C)nn1 1118025630 ROFONYSITGGVOX-UHFFFAOYSA-N 273.384 3.646 30 20 CHED C=C(C)CCC(=O)NC1(CCOCc2ccccc2)CC1 1120625665 FCXUGKOUUMGNFP-UHFFFAOYSA-N 287.403 3.598 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C12CCC(CC1)CC2 1121181482 NHBBYUHRBVDXPB-WRSVWVKZSA-N 298.386 3.886 30 20 CHED CC(C)CCN(CCC#N)c1nc2ccccc2nc1F 1162885887 DJYJAQPCNRSMKI-UHFFFAOYSA-N 286.354 3.535 30 20 CHED CCN(CCNc1nc(C)ccc1C#N)c1cccc(C)c1 1184625500 QBOZKJFQEJKBNU-UHFFFAOYSA-N 294.402 3.509 30 20 CHED CC1(CNC(=O)Nc2ccc(F)c(C#N)c2)CCCCC1 1199704968 GSQYKANFQLHGFU-UHFFFAOYSA-N 289.354 3.789 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1 1205986177 CAHJIJFNGGXOCS-YABSGUDNSA-N 289.354 3.644 30 20 CHED CCN(Cc1ccc(CC#N)cc1)Cc1ccccc1F 1261440306 IXTUFAUBYQNICR-UHFFFAOYSA-N 282.362 3.914 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3C[C@H]3C3CCC3)o2)cc1 1261575573 MKUCZXBDDAOHMK-UONOGXRCSA-N 265.316 3.512 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1C 1264951782 XHRMIVRVIPRNNS-WBVHZDCISA-N 284.403 3.955 30 20 CHED COc1cccc(/C=N/Cc2cccc(Cl)c2F)c1O 1318877207 VSLIZTOPFLPWCO-GIJQJNRQSA-N 293.725 3.812 30 20 CHED C#CCCOc1ccc(CNc2cc(F)cc(OC)c2)cc1 1319971995 CYTDRKMJJMTTPB-UHFFFAOYSA-N 299.345 3.849 30 20 CHED CC[C@H](Cc1nnc(COc2ccc(C#N)cc2)o1)C(C)C 1322038141 XXUUHEFYVFWITQ-CQSZACIVSA-N 299.374 3.745 30 20 CHED Fc1c(Cl)cccc1NN=Cc1cccc2cn[nH]c12 1323137771 WZRQQCCXWHJWSX-UHFFFAOYSA-N 288.713 3.801 30 20 CHED N#CCc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 1324085438 PHSHWMHDBXWXDB-SQWLQELKSA-N 269.392 3.918 30 20 CHED N#Cc1cccc(-c2nnc(-c3ccc4ncccc4c3)o2)c1 1324183166 KVAUQNMLYBMMEO-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CCCCCCCCCN(C)C(=O)c1[nH]c(C)nc1C 1328589471 ANZZYCZMMGRUPW-UHFFFAOYSA-N 279.428 3.849 30 20 CHED Cc1cc(C)c(CNC(=O)CC#Cc2ccccc2)c(C)c1 1332928515 BNPQHLCHFPDRMO-UHFFFAOYSA-N 291.394 3.670 30 20 CHED C=C(C)CCC(=O)N1CC=C(c2ccc(F)cc2)CC1 1335521261 JZDGPDLFSUNURY-UHFFFAOYSA-N 273.351 3.798 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(Cl)o1 1337479869 PEUHYKGRIBBXPB-JTQLQIEISA-N 253.729 3.504 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1ccsc1 1337550874 LMMMANCBJDKZTM-AWEZNQCLSA-N 263.406 3.638 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1nccc2ccccc12 1337551946 SUYSZKLFYBIWDA-HNNXBMFYSA-N 280.371 3.806 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2cc(C)ccc2o1 1339196804 OQXVDJPPXZOABB-CYBMUJFWSA-N 270.332 3.506 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc([C@@H](C)SC)n1CC 1342768343 UXIPPRNGJUWXSX-CHWSQXEVSA-N 294.468 3.657 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1cccc(F)n1 1347230087 DCXCGLNXJCSJHG-RRFJBIMHSA-N 294.329 3.509 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1csc(C#N)c1 1347812452 BIWCHDYVESXIEF-SMDDNHRTSA-N 276.405 3.661 30 20 CHED Cc1ccc(C(=O)O[C@@H](CC#N)c2ccco2)c(C2CC2)n1 1350312777 XQCCQTFSQLFSQJ-HNNXBMFYSA-N 296.326 3.672 30 20 CHED C=C(C)CCC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 1357812548 STQMOXSBEFVMHP-DOTOQJQBSA-N 291.366 3.518 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OCCOC)c(Cl)c1 1357812558 TTZGNOXHMKQUFX-UHFFFAOYSA-N 297.782 3.660 30 20 CHED C[C@H]1C[C@@H](C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CC[C@H]1C 1460794889 GPZZGKVALZHTEP-QKGCVVFFSA-N 263.381 3.684 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 1464911480 MTIDQAQGVPHSLX-ZDUSSCGKSA-N 271.364 3.506 30 20 CHED Cc1cc(C#N)ccc1CN1CCCc2cc(C#N)ccc21 1473507805 KXPDCWVIVCUJDG-UHFFFAOYSA-N 287.366 3.691 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(OC)c(F)c1 1517465297 DFABXOOMULZXRY-ZDUSSCGKSA-N 292.354 3.797 30 20 CHED CCCN(CC(C)C)C(=O)[C@H](CC#N)c1ccccc1 1525503814 PVBXIANENCUKHP-MRXNPFEDSA-N 272.392 3.578 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(F)c(C#N)c1 1526788121 CIJGPHJDULXHEC-CQSZACIVSA-N 287.338 3.660 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1532445845 IVRIFQDTNVAXOW-SIXWZSSISA-N 296.414 3.811 30 20 CHED N#Cc1cccc(C(=O)O[C@H]2CCc3cc(F)ccc32)c1 1543441973 KEAUMDMWTREHDY-INIZCTEOSA-N 281.286 3.542 30 20 CHED N#Cc1ccc(OCC2CCC(F)(F)CC2)cc1F 1559372974 UELGAEHBLDKRDL-UHFFFAOYSA-N 269.266 3.902 30 20 CHED N#CCC1(CS[C@@H]2CCOc3ccccc32)CC1 1559385880 WVDYTPZNQLXSQY-CQSZACIVSA-N 259.374 3.937 30 20 CHED CCN(Cc1ccc(C#N)s1)c1ccccc1F 1559620525 FTVDGPYHQFQEPG-UHFFFAOYSA-N 260.337 3.785 30 20 CHED N#Cc1ccsc1NC(=O)N[C@H]1C[C@H]1C1CCCCC1 1563023596 JLKQQOQCGHCSQE-STQMWFEESA-N 289.404 3.710 30 20 CHED Cc1c(C#N)cccc1C(=O)NC[C@H]1CCCC(C)(C)C1 1583955691 IHAPEIDLXPIVMH-AWEZNQCLSA-N 284.403 3.813 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(C(=O)O)c1Cl 1588451055 LANVSPXCWHWKEB-CQSZACIVSA-N 299.729 3.718 30 20 CHED C=CCCCCCCNCc1ccc(C(=O)O)cc1F 1602871457 YRKCLIVTZZAWTI-UHFFFAOYSA-N 279.355 3.750 30 20 CHED N#Cc1cnc(Sc2nc(-c3ccccc3)co2)c(F)c1 1612321968 OFDUCLIIYWJSKH-UHFFFAOYSA-N 297.314 3.899 30 20 CHED CC1(C)CCCC[C@@H]1NCCc1ccc(C#N)cc1 1617391697 XHLSEOMXBRQWDF-INIZCTEOSA-N 256.393 3.659 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1C#N 1617556572 JJJDACVULIYDFR-ZWNOBZJWSA-N 276.767 3.976 30 20 CHED C[C@H](C#N)C(=O)N(CCc1ccccc1)CCC(C)(C)C 1633170138 CCRHWKPYTSCJRA-OAHLLOKOSA-N 286.419 3.654 30 20 CHED CC[C@H]1Cc2ccccc2CN1c1cc(C)c(C#N)cn1 1639749109 BHCWFPZGAPLILD-KRWDZBQOSA-N 277.371 3.603 30 20 CHED CC1(C)CCC(C)(CNc2ccc(C#N)cn2)CC1 1640036229 QFCHBZXIINHBHR-UHFFFAOYSA-N 257.381 3.972 30 20 CHED N#CCc1ccc(CSc2ccc3[nH]ncc3c2)cc1 1644005892 YSRLOOMYUTZVHK-UHFFFAOYSA-N 279.368 3.921 30 20 CHED C[C@@H]1Cc2cc(CNc3cccc(F)c3C#N)ccc2O1 1655832212 HAHXPFYFRCQOGN-LLVKDONJSA-N 282.318 3.633 30 20 CHED N#CCC1(CN2CCn3c(cc4cc(Cl)ccc43)C2)CC1 1658250720 WHDSHLHPQBAJBY-UHFFFAOYSA-N 299.805 3.804 30 20 CHED CC(C)(C)O[C@@H]1C[C@@H](Nc2cccc(C#N)c2)C1(C)C 1658695136 FZAQFYSJYJJAQK-HUUCEWRRSA-N 272.392 3.952 30 20 CHED CC1(C)C(CNC(=O)Nc2cccc(CC#N)c2)C1(C)C 1677654187 QFPXWBMWAHIERJ-UHFFFAOYSA-N 285.391 3.556 30 20 CHED C=C(CNC(=O)N1CC[C@@H](C)C[C@@H](C)C1)c1ccccc1 1681779027 LALSIKHJZLUICZ-HUUCEWRRSA-N 286.419 3.777 30 20 CHED O=C(O)c1ccccc1NN=C1C[C@H]2CCCC[C@@H]2C1 1776031558 MTRXWZSVFUFZBF-VXGBXAGGSA-N 272.348 3.753 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC2C[C@@H](C)C[C@H](C)C2)C1 1776153581 LGKYBNSRFWMYDE-MPGHIAIKSA-N 293.451 3.802 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@@H]2CCC[C@@H](F)C2)CC1 1776168239 LRPHEPYGAZHGDH-HUUCEWRRSA-N 297.414 3.648 30 20 CHED C=CCCC[C@@H](NCc1ccccc1CC(C)C)C(=O)O 1776207322 QXWBKRXUXXRHGG-QGZVFWFLSA-N 289.419 3.784 30 20 CHED O=C(O)/C=C/c1ccc(/C=C2/Cc3ccsc3C2=O)cc1 1777623687 UXGUKIXNOAZLQK-RLKLUXQTSA-N 296.347 3.668 30 20 CHED O=C(O)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1F 1777673487 YLCLDEDIVWGOGV-UKTHLTGXSA-N 296.297 3.736 30 20 CHED N#Cc1cccc(OCc2nc3ccccc3s2)c1 5468159 KGJWXWMKARKOIA-UHFFFAOYSA-N 266.325 3.747 30 20 CHED C#Cc1cccc(NCc2ccc3ncccc3c2)c1 20248040 NFQPPRLBKHXCCN-UHFFFAOYSA-N 258.324 3.828 30 20 CHED O=C(/C=C/c1ccc(-n2cccn2)cc1)c1ccccc1 24216351 JOQDLWVBQWMSGK-FMIVXFBMSA-N 274.323 3.768 30 20 CHED CCCC[C@H](CC)C(=O)Nc1cccc(OCC#N)c1 36681581 JAYGPROFPZILSQ-ZDUSSCGKSA-N 274.364 3.744 30 20 CHED N#Cc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 36963039 KLOUQCHRJJRQPH-UHFFFAOYSA-N 267.719 3.695 30 20 CHED N#Cc1cccc(OCCCSCc2ccco2)c1 37143729 QOHBMPMMOYFGGL-UHFFFAOYSA-N 273.357 3.854 30 20 CHED C=CCN1C(=O)/C(=C/c2ccc(C)c(C)c2)SC1=S 44013437 VPANPOJPOVCNLC-LCYFTJDESA-N 289.425 3.691 30 20 CHED C=C(Br)CN[C@@H](C)c1ccc(Cl)cc1 49525782 KETRJUTYBGSARJ-VIFPVBQESA-N 274.589 3.899 30 20 CHED Cc1cc(C)c(CNC(=O)c2cccc(CC#N)c2)c(C)c1 49654278 CNJBFSUXZABVHR-UHFFFAOYSA-N 292.382 3.608 30 20 CHED N#Cc1ccc(CNc2c(Cl)cccc2[N+](=O)[O-])cc1 50352000 CEKHHSKEIJMVOM-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C[C@H](CC#N)NCc1ccccc1OCc1ccccc1 68612164 KHZOGHFYRYBCEM-OAHLLOKOSA-N 280.371 3.657 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2CCCCCCC2)n1 76763296 PUTPIBUVFBGEGH-CYBMUJFWSA-N 276.405 3.988 30 20 CHED C=CCCCOc1ccc(NC(=O)CCC)cc1C(C)=O 77238631 WSNJWDRTCJIHQB-UHFFFAOYSA-N 289.375 3.973 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1ccccc1C 79005764 JFEASUDADNEPDD-CQSZACIVSA-N 260.381 3.664 30 20 CHED C=CCOCCCC(=O)Nc1cccc(SCC)c1 80289624 BHUBFWVSAPEGMX-UHFFFAOYSA-N 279.405 3.720 30 20 CHED C#Cc1cccc(NC(=O)c2cccc(Cl)c2C)c1 82286850 APYHTNPLCQFQFU-UHFFFAOYSA-N 269.731 3.882 30 20 CHED C[C@@H](O)CCc1ccc(OCCCC(C)(C)C#N)cc1 87599651 CDNXJCHWOPDYHS-CQSZACIVSA-N 275.392 3.709 30 20 CHED N#Cc1c(Cl)cccc1NC[C@H]1CCCS1 87668864 SAEDFFJHZWPWTH-SECBINFHSA-N 252.770 3.519 30 20 CHED CCC[C@H](C#N)NC(=O)C1(c2cccc(C)c2)CCCC1 92005034 YXLMRJVYHXETRU-MRXNPFEDSA-N 284.403 3.615 30 20 CHED CCCN(CC#N)Cc1cc(Cl)cc(Cl)c1 92398195 QRXRZGCFHMWGQS-UHFFFAOYSA-N 257.164 3.729 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)c(F)c1 94207505 DANDIBAVHJQDOF-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#Cc1ccc(CNCc2ccccc2C2CC2)cc1 94357713 YENWRYGTLSNJAW-UHFFFAOYSA-N 262.356 3.725 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(F)cc1Cl 97054654 DAWNJDRBRSMZDE-NSHDSACASA-N 299.773 3.671 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(C)n(CC)c2C)c1 103101696 HAPXJXPVAVNXPY-UHFFFAOYSA-N 294.398 3.773 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)cc1 110718128 LVWKQYNNNZORSN-GOEBONIOSA-N 270.376 3.647 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)c2ccccc2C)CC1 116023587 PTHOEFQSCGZSBF-OAHLLOKOSA-N 271.404 3.913 30 20 CHED C=CCCCSc1nnc(C)n1CCc1cccs1 117553055 FINYJQVZKWKZJU-UHFFFAOYSA-N 293.461 3.949 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccc(Cl)n1 120310929 DQKNTKFMKRUVID-UHFFFAOYSA-N 292.791 3.625 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(F)cc2C)s1 122217856 ILEFTAOFPSAHHJ-UHFFFAOYSA-N 288.347 3.882 30 20 CHED N#Cc1ccc(C(=O)OCC2CCSCC2)cc1Cl 125154043 DQEGDAAYPGOFFE-UHFFFAOYSA-N 295.791 3.512 30 20 CHED N#CCN(C(=O)/C=C/c1ccc(Cl)cc1)C1CCCC1 125312351 YVPQUKLNHNKJQD-JXMROGBWSA-N 288.778 3.648 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1cccc(C)c1C 125928267 MKMUYGRCTVLVDA-OAHLLOKOSA-N 274.408 3.528 30 20 CHED N#Cc1ccc(Cl)cc1OCCc1ccc2c(c1)CCO2 129042431 AHZBVCXNYOHAEZ-UHFFFAOYSA-N 299.757 3.768 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2sccc2C)c1C 131155152 VBENMXMKPGBXEI-VOTSOKGWSA-N 274.389 3.786 30 20 CHED CSC[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 133205264 OYTRBABYLADGRH-QMMMGPOBSA-N 274.311 3.740 30 20 CHED C#Cc1cccc(N[C@H](C)Cc2ccccc2F)c1 133765449 MUVPPFIPAIAXDT-CYBMUJFWSA-N 253.320 3.850 30 20 CHED C=C(Cl)CNC(=O)c1ccccc1SC(F)(F)F 134816850 RQXUXQVZISFFPX-UHFFFAOYSA-N 295.713 3.781 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Cc1ccccc1Cl 151717616 QNTXNXUXZSUBRX-BLLLJJGKSA-N 292.810 3.573 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)/C=C/c1ccc2ccccc2n1 154359545 IMDJPZFMIURPCD-OFAQMXQXSA-N 294.354 3.729 30 20 CHED Cc1cccc(N(C)C(=O)c2ccc(C#N)c(Cl)c2)c1 155909095 WPYYVBFDMISABP-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)o1 158422805 QEGRPLWZIRAGEZ-IAGOWNOFSA-N 290.407 3.615 30 20 CHED COC(=O)c1cc(CSc2cccc(C#N)c2)oc1C 158693641 YFZWHAVUUGSOBQ-UHFFFAOYSA-N 287.340 3.539 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC(C)(C)C2)cc1 162523569 WIAKODSIGHDWAM-CQSZACIVSA-N 273.376 3.560 30 20 CHED C=CCN(C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 163629626 HQOOOBRVXZQTDC-HNNXBMFYSA-N 272.392 3.627 30 20 CHED C#CCCCCNCc1ccc(Cl)cc1Cl 165937934 TXSQOJMNMHHYDS-UHFFFAOYSA-N 256.176 3.887 30 20 CHED N#Cc1ccc(N[C@H](c2ccccc2)[C@H]2CCCO2)cc1 171216281 XINWUPZWJYPPEP-QZTJIDSGSA-N 278.355 3.890 30 20 CHED Cc1csc(C2(NCc3ccc(C#N)cc3)CCCC2)n1 171842822 NRCFFADRILEOGT-UHFFFAOYSA-N 297.427 3.882 30 20 CHED N#CCc1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1 172207958 ISZQUGUGJARFCK-UHFFFAOYSA-N 290.326 3.878 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)o1 174415824 NIKMJEUHXHAULX-CRAIPNDOSA-N 280.371 3.652 30 20 CHED COc1ccc([C@@H]2CCN(CCCC(C)(C)C#N)C2)cc1 174838834 OQVXTQLJKZHMTG-MRXNPFEDSA-N 286.419 3.814 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ccc(Cl)cc1 175084736 YLHRRDUXBVZPEH-NSHDSACASA-N 251.757 3.874 30 20 CHED C[C@H](OC(=O)COC1CCCCC1)c1ccc(C#N)cc1 175779035 VJKOIALLANWWCM-ZDUSSCGKSA-N 287.359 3.512 30 20 CHED CC[C@H](C#N)OC(=O)CCCCCc1ccc(OC)cc1 176012119 RGZMRDGSOIMFIK-OAHLLOKOSA-N 289.375 3.643 30 20 CHED CN(C(=O)c1ccccc1F)c1cc(Cl)ccc1C#N 176425556 DTSXJIPDGSEMRF-UHFFFAOYSA-N 288.709 3.627 30 20 CHED N#Cc1csc(CN[C@@H]2CCc3cc(F)ccc32)c1 177692098 ANZVVNAQQVTORM-OAHLLOKOSA-N 272.348 3.536 30 20 CHED C=CCCCC(=O)Nc1ccccc1OCC(F)F 178310479 MVBLCZLFMUIDKK-UHFFFAOYSA-N 269.291 3.625 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1C[C@H]2CCCC[C@H]2C1 181399701 JPZMCHUQIASPGV-KFWWJZLASA-N 264.413 3.563 30 20 CHED N#CCN[C@H](Cc1ccccc1Cl)c1ccccc1 181595352 JYPAUUFRAWSQAE-MRXNPFEDSA-N 270.763 3.737 30 20 CHED N#Cc1ccc(CN2C[C@H]3CCC(=O)c4cccc2c43)cc1 184802453 FIJRCQCKUOGWKM-OAHLLOKOSA-N 288.350 3.639 30 20 CHED C=CCC[C@@H](C)NC[C@@H](c1ccco1)N1CCCCC1 184857211 FTZGQSFMNLSYIN-CVEARBPZSA-N 276.424 3.751 30 20 CHED N#C[C@H]1CCC[C@@H](NCCOc2cccc3ccccc23)C1 185787545 XEIMBRQHFVQUKV-DOTOQJQBSA-N 294.398 3.891 30 20 CHED Cn1nccc1/C=C/C(=O)c1cc2ccccc2s1 187233108 IKXNJPZDBGZBRR-VOTSOKGWSA-N 268.341 3.531 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@H](C(C)C)CC1 188411786 BVWSFSABBOKHFX-GOEBONIOSA-N 251.414 3.873 30 20 CHED C#CCCCCNC(=O)[C@@H](CCC=C)c1ccccc1 188545648 JZTQLSHSLKXTLV-KRWDZBQOSA-N 269.388 3.656 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1F 189492328 PQUCQOGHHYXWIE-JKSUJKDBSA-N 292.423 3.851 30 20 CHED CCCCCCCCC(=O)N(C)Cc1ccco1 192560256 ZPZYSBXAEXIWBY-UHFFFAOYSA-N 251.370 3.989 30 20 CHED N#Cc1ccc(CC(=O)NCC2CCCCCCC2)cc1 194751053 RKXZDEBQLNSHOL-UHFFFAOYSA-N 284.403 3.577 30 20 CHED Cc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)s1 207933745 SOFZTYLXMDGIQL-XFXZXTDPSA-N 270.353 3.975 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cc(Cl)ccc1Cl 233896096 OBTGIEBZGGUQMZ-VIFPVBQESA-N 271.147 3.527 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 248954354 PYTSXPFKYASUAD-JGGQBBKZSA-N 293.432 3.639 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1scnc1C)CO2 255111222 IOQCYXFPYBYKKJ-SDQBBNPISA-N 285.368 3.727 30 20 CHED CCc1ccc(C=NOCc2ccccc2C#N)cc1 255420798 ZPIMDGTVMSVLJN-UHFFFAOYSA-N 264.328 3.671 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1c[nH]c2ccccc12 255771785 MKNZJEOIFQUWKZ-FPLPWBNLSA-N 266.300 3.669 30 20 CHED CCCCc1nc2cc(NC(=O)C3(C#N)CCC3)ccc2[nH]1 265576975 UGSMQRKRPNMPFP-UHFFFAOYSA-N 296.374 3.538 30 20 CHED C=CCCCCCN(C)C(=O)Cc1cccc(COC)c1 275042845 SLONDSPVXAGBPX-UHFFFAOYSA-N 289.419 3.580 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc(Cl)cc2)no1 275740117 VNTZFFOIPVKFFR-HNNXBMFYSA-N 292.766 3.870 30 20 CHED Cc1ncsc1/C=C/C(=O)c1cnn(C(C)(C)C)c1C 276366474 NHDGOIZUVFGVQD-VOTSOKGWSA-N 289.404 3.608 30 20 CHED CCN(Cc1ccc(F)cn1)[C@@H](C)c1ccc(C#N)cc1 276370344 OFLAEZOSAGBNJZ-ZDUSSCGKSA-N 283.350 3.675 30 20 CHED C=CCC[C@H](C)N[C@H](Cc1nc(C)no1)c1ccccc1 277136271 OUZFJEBBOOMGLH-XJKSGUPXSA-N 285.391 3.606 30 20 CHED CC1(C)CCCN(Cc2ncc(-c3ccccc3)o2)[C@@H]1C#N 277764130 MKVFFBPCXWISQC-MRXNPFEDSA-N 295.386 3.856 30 20 CHED CC(C)[C@H]1CN(C[C@H](C#N)CCC#N)c2ccccc21 278041432 CMMVEKVPAJOEKR-GOEBONIOSA-N 267.376 3.690 30 20 CHED C=CCCCCCCCCNC(=O)c1cnc(C)cc1O 288230317 KCNNVCMDFLQPJP-UHFFFAOYSA-N 290.407 3.742 30 20 CHED C=C(C)CCc1noc([C@H]2CCCC(F)(F)C2)n1 289324712 YXEGVCZVPFRXMM-JTQLQIEISA-N 256.296 3.871 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)c1ccc(-c2ccccc2F)o1 291506379 VYEBSZOOIIHMJE-QGZVFWFLSA-N 298.317 3.508 30 20 CHED CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCCC#N)o1 292058373 HEZLFXHAHXPOQU-HIFRSBDPSA-N 288.391 3.835 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc2cccnc12 292183880 GPUOZLVNXSMHJU-UHFFFAOYSA-N 295.386 3.779 30 20 CHED C=CCOc1cccc(CN2CCC(C)(OCC)CC2)c1 292791515 MLYCCVHZWNRTSB-UHFFFAOYSA-N 289.419 3.642 30 20 CHED C=CCN(CCC#N)C(=O)/C(C)=C/c1ccccc1Cl 293956554 VVRBXDGSSMLDCV-OUKQBFOZSA-N 288.778 3.672 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)N(CCC#N)CC(C)(C)C 294720970 VDQHABAEFZPHSF-UHFFFAOYSA-N 299.418 3.669 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 295216491 AQJLMSLKHPFZPE-CQSZACIVSA-N 293.794 3.532 30 20 CHED Cc1cc([C@H](C)NCc2ccc(OCC#N)cc2)cs1 296916104 PLNKMZGVCHCNSE-ZDUSSCGKSA-N 286.400 3.810 30 20 CHED N#C[C@]1(C(=O)Oc2cccc3ncccc23)CC12CCCC2 298402952 TVVCYAAACKSRSH-SFHVURJKSA-N 292.338 3.614 30 20 CHED CN(Cc1cccc(C#N)c1)c1c(Cl)cccc1C#N 301172234 GTWILMSJCXRMTK-UHFFFAOYSA-N 281.746 3.720 30 20 CHED CC(=O)c1ccc(C#N)c(NCCSc2ccccc2)c1 302089638 GFNAXUMDLBYVLU-UHFFFAOYSA-N 296.395 3.965 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@H]1C[C@H]2CC[C@H]1C2 302856507 NGYKXMSKTSKOKB-XEZPLFJOSA-N 286.371 3.765 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@H](O)c1ccsc1 304348061 YGTSYCGUPWDIEH-WENWWWKYSA-N 297.379 3.759 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(CC#N)cc1 308093583 WBJKALNMFUFHJU-AWEZNQCLSA-N 258.365 3.763 30 20 CHED CCc1ccc(C(=O)Nc2cc(C)cc(C#N)c2)cc1 308129132 HDGPUIPAYXHGHP-UHFFFAOYSA-N 264.328 3.681 30 20 CHED C=CCC(C)(C)CN[C@H](C)Cc1ccc(OC)c(OC)c1 314847142 ZNHGXRNFCIRXHA-CQSZACIVSA-N 291.435 3.827 30 20 CHED CCCc1nc(/C(O)=N/[C@H]2CC23CCCCC3)co1 328770706 CPBKBAPOGKQYTH-LBPRGKRZSA-N 262.353 3.655 30 20 CHED CC(C)(C)n1cc(C(O)=Nc2cnc3c(c2)CCCC3)cn1 329362989 DAWGIOPBVNMQJX-UHFFFAOYSA-N 298.390 3.548 30 20 CHED C[C@@H](/N=C(/O)[C@@H]1CCCOCC1)c1ccc(Cl)cn1 329499612 KBFNLHXQZGSQGO-GHMZBOCLSA-N 282.771 3.569 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/C1(C)CCCC1 330032529 UXUGSBOMNJXETI-UHFFFAOYSA-N 262.353 3.573 30 20 CHED OC1=NCC[C@@H](/C(O)=N/Cc2ccc(C3CCC3)cc2)C1 330226355 OSPCOCLEJUGJBI-OAHLLOKOSA-N 286.375 3.777 30 20 CHED CCC1(CC)CCC(/N=C(/O)c2ccnnc2)CC1 331055895 KVMAWLZCZOXWHU-UHFFFAOYSA-N 261.369 3.530 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CC1 332318275 OIZFMCHTEHCMNT-DGCLKSJQSA-N 290.794 3.910 30 20 CHED N#Cc1cncc(SC2CCC(C(F)(F)F)CC2)n1 334970404 XXRKHJXQFOHUDW-UHFFFAOYSA-N 287.310 3.561 30 20 CHED C[C@H](Sc1c(C#N)cnc2c(Cl)cccc12)[C@@H](C)O 335479990 ATSGKEHAFPRSJV-BDAKNGLRSA-N 292.791 3.621 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)s1 335987018 CTANXKICLCIHPZ-CQSZACIVSA-N 282.368 3.597 30 20 CHED CCc1nc(C)c(C(=O)N(CC)c2ccc(C#N)cc2)s1 337980693 QOEZHLCOXFOJHD-UHFFFAOYSA-N 299.399 3.552 30 20 CHED Cc1c(NCc2ccc(C#N)s2)cnn1CCC(C)C 341326913 YVWZUIKWDHARLJ-UHFFFAOYSA-N 288.420 3.783 30 20 CHED Cc1cc(N(Cc2ccco2)Cc2ccco2)cc(C#N)n1 341419821 QHYBWKHQKNRLNM-UHFFFAOYSA-N 293.326 3.655 30 20 CHED CCCC[C@H](COC)N[C@H]1CCCc2cc(C#N)ccc21 341698408 PLBMTOSFVXONKB-AEFFLSMTSA-N 286.419 3.730 30 20 CHED CCCCS[C@H](C)C(=O)N(CCC#N)CCC(C)C 349435848 YPENDIGHVJXEAX-CQSZACIVSA-N 284.469 3.697 30 20 CHED C[C@H](Sc1cccc(C(N)=O)c1)c1cccc(C#N)c1 351734844 HZSXRNQEXBJYPW-NSHDSACASA-N 282.368 3.510 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 352775621 LSNCZSRSKQVEPE-YJBOKZPZSA-N 289.419 3.607 30 20 CHED C=C[C@H](CO)N[C@@H]1CCCc2c(Cl)sc(Cl)c21 353564721 HUIRYXQAPMFNHP-VXNVDRBHSA-N 292.231 3.569 30 20 CHED C[C@@H](CCC1CC1)NC(=O)c1cc(C#N)ccc1Cl 354764647 FDQZGTYVEBLBFW-JTQLQIEISA-N 276.767 3.520 30 20 CHED CCN(C(=O)CC#N)C(c1ccccc1)c1ccccc1 356946338 YYEILWWDPNUMCW-UHFFFAOYSA-N 278.355 3.538 30 20 CHED N#Cc1ccc(N[C@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] 357169308 GQQMYVPAPAUFKN-HNNXBMFYSA-N 297.289 3.705 30 20 CHED C=CCN(C(=O)CSCc1ccc(Cl)cc1)C1CC1 357509583 IJJYNJXVAUWVNG-UHFFFAOYSA-N 295.835 3.750 30 20 CHED COC[C@H](CC(C)C)N[C@H](CCC#N)c1ccccc1 358330498 QIGDVAVKRAPQLY-DLBZAZTESA-N 274.408 3.682 30 20 CHED N#Cc1ccc(NC(=O)NCc2coc3ccccc23)cc1 358406661 HUKQFYQWABYJKC-UHFFFAOYSA-N 291.310 3.626 30 20 CHED C=C(CC)CN(C)Cc1ccc(OC)c(OC(F)F)c1 358624534 LZMKHNHCBLLAOC-UHFFFAOYSA-N 285.334 3.695 30 20 CHED C=CCSCCNc1ccc(C(=O)CC)cc1[N+](=O)[O-] 359460734 SNETVVLNOAZWFZ-UHFFFAOYSA-N 294.376 3.519 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(C#N)c1 360705881 TZLNVOSPBOLDMV-BBRMVZONSA-N 284.403 3.845 30 20 CHED N#CCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 360983174 GKQMCMWQHWNPMK-UHFFFAOYSA-N 267.159 3.606 30 20 CHED C=CCCC1(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)CC1 361689644 OXSYLBQNYCAXEJ-DOTOQJQBSA-N 299.414 3.721 30 20 CHED N#CCCCCS(=O)(=O)Cc1ccc(C2CCC2)cc1 362874156 KBHHGZVTDSDJCZ-UHFFFAOYSA-N 291.416 3.563 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](OCC2CC2)C1 372297995 XBRLEYXONFVMRW-KSSFIOAISA-N 284.403 3.510 30 20 CHED CN(CCCOCc1ccccc1)c1ccc(F)cc1C#N 384312676 KMGYNYMHRVDVPZ-UHFFFAOYSA-N 298.361 3.740 30 20 CHED C[C@@H]1CCCC[C@@H]1CNc1cccc(OCC#N)c1 394785860 JHNZKUDZXZAPSY-ZIAGYGMSSA-N 258.365 3.827 30 20 CHED CCC(CC)CN(CC)CCCC1(C#N)CCOCC1 410318611 POEZHIVUFOSABU-UHFFFAOYSA-N 280.456 3.845 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)c1cc2ccccc2o1 410824937 FCXDOTCDECVTND-JSGCOSHPSA-N 284.359 3.687 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cccc2ccsc12 410833722 IAFKZQGGNSVWGS-GFCCVEGCSA-N 272.373 3.666 30 20 CHED CC(C)[C@H](C)C(=O)Nc1ccc(Br)c(C#N)c1 410964671 AOTLIPFRIHXWMB-VIFPVBQESA-N 295.180 3.551 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 412380143 QKFGQSURDHSEJL-CQSZACIVSA-N 287.403 3.660 30 20 CHED CC[C@H](C(=O)NCC1(C#N)CCC1)C1CCC(C)CC1 416346426 LDBHNQYMZJLFDM-NRXISQOPSA-N 276.424 3.649 30 20 CHED C=CCSCCN[C@H](C)[C@@H]1C[C@H]1c1cccs1 417313507 WGCFIABLWWAFJS-FRRDWIJNSA-N 267.463 3.749 30 20 CHED C[C@@H](SCC[C@H]1CCOC1)c1cccc(C#N)c1 419459180 CPVYIBFZFSDPQL-CHWSQXEVSA-N 261.390 3.779 30 20 CHED N#CC1(CSCc2ccc(-n3ccnc3)cc2)CCC1 419460717 GDKVWLVETWNWNP-UHFFFAOYSA-N 283.400 3.799 30 20 CHED CC(C)COc1ccc(OCCCC(C)(C)C#N)cn1 424108703 XYEFLAAZWSPCFZ-UHFFFAOYSA-N 276.380 3.825 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)cc(F)c1OC 425541692 PXACIOYQZWWBCP-UHFFFAOYSA-N 269.291 3.514 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425635717 IYXRSKFVIPKMNQ-ZDUSSCGKSA-N 270.376 3.680 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 429891384 ZYBYVFIHVBUUDL-AWEZNQCLSA-N 278.371 3.788 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2cnco2)c1 431334930 UGVMVNAJNCKYPV-UHFFFAOYSA-N 270.332 3.882 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(O)cc2Cl)no1 436784000 OLKXMLJGCCHXIS-UHFFFAOYSA-N 278.739 3.949 30 20 CHED C=CCN(C(=O)c1cn2cc(C)nc2s1)c1ccccc1 440711972 GQXHXUVMJFJBRP-UHFFFAOYSA-N 297.383 3.537 30 20 CHED C=C(CC)CN(CCC(F)(F)F)CC(F)(F)F 447844460 MKWOLKVRTHHKDM-UHFFFAOYSA-N 263.225 3.769 30 20 CHED CC[C@H](NC[C@@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1 448024232 XEZULHAGQVDZNO-ROUUACIJSA-N 299.462 3.719 30 20 CHED CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)[C@@H](C)c1ccc(C#N)cc1 448777505 MLPOCCFZHYCTDP-HNONPPJISA-N 296.414 3.904 30 20 CHED C=CCCCC[C@@H](C)NCC(C)(C)N1CCC(OC)CC1 449157143 UODPFVBTPHLIKQ-MRXNPFEDSA-N 296.499 3.600 30 20 CHED C=CCC[C@@H](CO)Nc1ncc(-c2ccccc2)s1 450899510 SMGTZKWFDPKBGN-ZDUSSCGKSA-N 274.389 3.549 30 20 CHED C=CCC1(C(=O)N2CCSC(C)(C)CC2)CCCC1 451287850 RONHARDIERLISY-UHFFFAOYSA-N 281.465 3.867 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc2[nH]ccc12 454679271 VDGPJPFEFOSKJV-UHFFFAOYSA-N 257.337 3.502 30 20 CHED C=C(C)CCNC(=O)N1CCC(c2ccccc2C)CC1 455307641 IISBCJKRDALBFD-UHFFFAOYSA-N 286.419 3.850 30 20 CHED C=CCC1(NC(=O)c2scnc2CC)CCCCC1 456357891 AKKFHWAQVRZPDJ-UHFFFAOYSA-N 278.421 3.714 30 20 CHED C=CCC1(NC(=O)[C@@H](C)OCCCC)CCCCC1 456375129 XUTZVWLZHSFYGV-CQSZACIVSA-N 267.413 3.587 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)N(C)CC(C)(C)C#N 458670022 TUSQRKCOAIVDGB-CQSZACIVSA-N 287.407 3.556 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](C)Cc2cccs2)n1 462905506 KPKJFYJWXYJVDB-LLVKDONJSA-N 285.416 3.922 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1ccc(F)c(Cl)c1 466376331 GVFNXAKQUDTIHQ-LBPRGKRZSA-N 298.789 3.975 30 20 CHED CC(C)(C)c1nc(CNCCc2cccc(C#N)c2)cs1 466408395 FOKKWKVDJMWWEV-UHFFFAOYSA-N 299.443 3.645 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1ccc(C)c(C)c1 466527288 FJFGQKHCBUQVFP-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C=CCOCCCN[C@H](C)c1ccccc1Cl 470764870 ITNMUUPWDWCPTR-GFCCVEGCSA-N 253.773 3.583 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 481860891 IVKADNOMTFSKRT-FMKPAKJESA-N 290.794 3.703 30 20 CHED C=C(C)CN(C)C(=O)CCC(=O)c1ccc2ccccc2c1 482213785 RDTVTLJEOBMASI-UHFFFAOYSA-N 295.382 3.837 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1ccc(C#N)s1 486744386 KATRUZCEIMJQMG-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C=CCn1cccc1C(=O)NC[C@H]1CCCc2ccccc21 488397148 KWSUGWFYBMQWRM-MRXNPFEDSA-N 294.398 3.524 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](C)c1cccs1 489055298 CRPMENFCMRWZNJ-LBPRGKRZSA-N 274.389 3.569 30 20 CHED C=CC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 489236718 YDHCCDRHTBJYFC-CYBMUJFWSA-N 274.364 3.862 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@H](CC)C1)c1ccccc1 489679612 MUNPKBBKPOJUGS-RDJZCZTQSA-N 271.404 3.995 30 20 CHED COc1ccc([C@@H](C)CCNc2nc(C)ccc2C#N)cc1 500289999 OOKWHQLIBLHKNS-ZDUSSCGKSA-N 295.386 3.876 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CCSc1ccccc1 502409850 KEGUAWVZIOQSPX-INIZCTEOSA-N 290.432 3.613 30 20 CHED C=C(C)COc1cc(CN(C)CCCC)ccc1OC 505877969 ZBMVHYAXDPZZNG-UHFFFAOYSA-N 277.408 3.882 30 20 CHED COc1ccccc1C1(CNc2ccc(C#N)cc2F)CC1 507020694 GATBAWUYCKCVDU-UHFFFAOYSA-N 296.345 3.850 30 20 CHED CCc1ccc(NC(=O)NCC#Cc2cccc(F)c2)cc1 509373237 QDSJCLDPWXNBFL-UHFFFAOYSA-N 296.345 3.561 30 20 CHED CC(C)CCN(C(=O)NCCCCC#N)C1CCCC1 510574402 ZSAIEIDTEBCQEI-UHFFFAOYSA-N 279.428 3.681 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 511810722 VRNUBHLSIVXPKL-INIZCTEOSA-N 299.399 3.997 30 20 CHED CC#CCN(C)C(=O)CC(c1ccccc1)c1ccccc1 515325941 LCEHRFLIBGVRBQ-UHFFFAOYSA-N 291.394 3.690 30 20 CHED CC1(C)CCCCN(c2nccc(C#N)c2Cl)C1 516102404 GLEYIFRBHYCCJI-UHFFFAOYSA-N 263.772 3.623 30 20 CHED C[C@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 522908542 PQBOWLBKUILMSV-YCPHGPKFSA-N 284.403 3.952 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(C)C[C@@H](C)C1CCCCC1 530040549 UNUNXZQOUXECIY-CQSZACIVSA-N 299.418 3.550 30 20 CHED CCN(CCC#N)Cc1ncc(-c2ccc(Cl)cc2)o1 530665936 FQGPGVGHLGOAEV-UHFFFAOYSA-N 289.766 3.731 30 20 CHED C=C(C)CN1CCC(NC2CCC(C)(CC)CC2)CC1 532231027 FQZNNQBXUWFUPT-UHFFFAOYSA-N 278.484 3.975 30 20 CHED CC(C)(C#N)CCCNC1(c2ccccc2)CCOCC1 533057681 RNGGDRMBUDAFPR-UHFFFAOYSA-N 286.419 3.612 30 20 CHED C=CCC[C@H](NCc1ccc(C)c(OC)c1)C1CC1 533362210 SMSVAOGIPYWDJF-INIZCTEOSA-N 259.393 3.838 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(CC#N)cc1 534041556 BQWPYXJPWIPSEJ-NVXWUHKLSA-N 284.403 3.793 30 20 CHED CCCN(CC1(C#N)CC1)[C@@H]1CCc2ccccc2C1 538313430 KZISSGXUHVKTQD-QGZVFWFLSA-N 268.404 3.560 30 20 CHED N#CC1(COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 539756986 OGRXFZRCQIYTNH-UHFFFAOYSA-N 294.310 3.944 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 540500241 QWKFCAPDUWBYSV-GVDBMIGSSA-N 293.451 3.834 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](CC)CC1 540566871 SPJLHXATKQHZNZ-GJZGRUSLSA-N 266.429 3.953 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(CC#N)CC1 542848980 CJJJPTRAJVPHOM-ZDUSSCGKSA-N 279.428 3.536 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 547393543 RRFJFEZCFFCXBM-SWLSCSKDSA-N 272.392 3.577 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@](C)(CC)C1 549690836 KVHLNWUJNABJMB-YOEHRIQHSA-N 290.455 3.994 30 20 CHED N#Cc1cccc(Cl)c1N1C[C@H]2CCC[C@@H](C2)C1 557690866 FLBBSHBPKNOTKG-RYUDHWBXSA-N 260.768 3.838 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCO[C@H](C(C)C)C1 558010179 GOTMWSQVBLIHIB-JYJNAYRXSA-N 253.430 3.915 30 20 CHED CCCCO[C@@H]1C[C@@H](NCCCC(C)(C)C#N)C1(C)C 564293372 IJLIAASOWGXFMK-HUUCEWRRSA-N 280.456 3.890 30 20 CHED CC1(c2ccccc2)CCC(Nc2cc(C#N)ncn2)CC1 566951855 WPJYJPJDUREKBB-UHFFFAOYSA-N 292.386 3.661 30 20 CHED C=CCC[C@@H](C(=O)N1CC(C(F)(F)F)C1)c1ccccc1 571987383 XQFXUAXCUATVBE-CQSZACIVSA-N 297.320 3.757 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@]1(C)CCc2ccccc2C1 573754942 KEZTUWOMHIKHOP-LJQANCHMSA-N 298.430 3.628 30 20 CHED CC(C)CCc1noc(C2(c3ccc(C#N)cc3)CC2)n1 576384409 WNGDPEJJQUOUKV-UHFFFAOYSA-N 281.359 3.610 30 20 CHED C[C@H](C#N)CNc1ncnc2sc(C(C)(C)C)cc12 578166215 KPRWRJSRHCYTRY-SECBINFHSA-N 274.393 3.560 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc2cc[nH]c12 580990566 YNZXRHRYHDIOTI-LBPRGKRZSA-N 257.337 3.644 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(CCC#N)CC1 584170253 FWASCGHBKVXUAF-AWEZNQCLSA-N 267.376 3.635 30 20 CHED C[C@H](NC(=O)c1sccc1Cl)c1cccc(C#N)c1 586790895 CKPRBUVBQUXYJJ-VIFPVBQESA-N 290.775 3.764 30 20 CHED Cc1cccc([C@@H]2CCN(c3cc(C#N)cc(C)n3)C2)c1 588016327 DSYZPNXQEXYPLB-QGZVFWFLSA-N 277.371 3.564 30 20 CHED N#CCCCCCC(=O)Nc1cccc2[nH]ccc12 588156420 HELDQBDOAHXJBU-UHFFFAOYSA-N 255.321 3.580 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)CCCCCC#N)cc1 588278849 YIDVXJMGOOYXQV-HNNXBMFYSA-N 272.392 3.989 30 20 CHED O=C(/C=C\c1cccc(Cl)c1F)c1ccncc1 588386433 REGHRDBPTAVOLT-PLNGDYQASA-N 261.683 3.770 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 589341741 NVJYTNCGWUMMFI-MGPLVRAMSA-N 281.359 3.501 30 20 CHED CC(C)CC(CC(C)C)C(=O)N1CCC[C@@](C)(C#N)C1 590706042 YHGQVHPRDJHCNX-KRWDZBQOSA-N 278.440 3.847 30 20 CHED Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)nc1C 591242783 HWQSRVPCWYCFRL-LJQANCHMSA-N 291.398 3.737 30 20 CHED CCC(CC)(CC)C(=O)N1CCc2cc(C#N)ccc21 591312356 OARHDBVADLOQEO-UHFFFAOYSA-N 270.376 3.664 30 20 CHED CCCCC[C@H]1CCCN1C(=O)Nc1cccc(C#N)n1 592267482 NGGCDWNCJRRVCX-AWEZNQCLSA-N 286.379 3.530 30 20 CHED N#Cc1ccc(CCN[C@H](Cc2ccccc2)C2CC2)cc1 595057842 XUDQKQMMXURUEE-HXUWFJFHSA-N 290.410 3.712 30 20 CHED C[C@H](C#N)N(Cc1csc(C2CCCC2)n1)C1CC1 595712825 BDSBJDHKHKSBQI-LLVKDONJSA-N 275.421 3.677 30 20 CHED Cc1c([C@@H](C)Nc2c(C#N)cnn2C)oc2ccccc12 596081052 BUFVZRAXZHCDCB-LLVKDONJSA-N 280.331 3.520 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@]23CCC[C@H]2C3)n1 596315669 FBUMIDXCNGWIPN-BLLLJJGKSA-N 255.365 3.605 30 20 CHED CCC[C@@H](CC)NC(=O)CC1(C#N)CCCCC1 596972687 FXROTIRJACWLCU-CYBMUJFWSA-N 250.386 3.545 30 20 CHED CC1(CC(=O)NCCc2ccc(C#N)cc2)CCCCC1 597894499 XSLSJJOYVYNMCW-UHFFFAOYSA-N 284.403 3.577 30 20 CHED Cc1sc(NC(=O)c2ccc(C#N)s2)nc1C(C)C 597895621 ZNXCWRHUNIPAQK-UHFFFAOYSA-N 291.401 3.760 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](SCC)C(C)C)C1 597998410 NMAYLOOAATVLQN-ZIAGYGMSSA-N 269.454 3.579 30 20 CHED N#CCCCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 598300769 OGZNHHPYIGYAED-DZGCQCFKSA-N 290.794 3.786 30 20 CHED CCCC[C@@H](C(=O)N(CCC#N)CC(F)(F)F)C(C)C 598816027 PYNCGCXBKGDJHB-GFCCVEGCSA-N 292.345 3.753 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2ccc3occc3c2)C1 599905645 LHUSYQGXLUSNHA-MRXNPFEDSA-N 283.331 3.590 30 20 CHED C=CC1CCN(C(=O)NCCCC2CCCCC2)CC1 600853336 FXGVIRBGTKRPJY-UHFFFAOYSA-N 278.440 3.955 30 20 CHED CC(C)(C)C(=O)CS[C@H](C#N)CCc1ccccc1 601077991 FKMNSSKCVFTYCV-AWEZNQCLSA-N 275.417 3.860 30 20 CHED C[C@@H](CCC#N)CNCCc1ccc(C(F)(F)F)cc1 602508953 PGLKYFQTDBVBII-LBPRGKRZSA-N 284.325 3.777 30 20 CHED COCc1cc(C#N)ccc1NCc1ccc(OC)cc1C 603316482 YRDQSWCKSAAKDV-UHFFFAOYSA-N 296.370 3.634 30 20 CHED N#Cc1csc(CNC23CC(c4ccccc4)(C2)C3)c1 603428588 JZZYEVDCMLJTPX-UHFFFAOYSA-N 280.396 3.584 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 608959890 SNBUEXSTLLOOPG-HUUCEWRRSA-N 278.440 3.990 30 20 CHED Cc1ccc(-c2ccsc2C(=O)NC[C@H](C)C#N)cc1 609491939 JKQYVJYTOYMMAO-GFCCVEGCSA-N 284.384 3.613 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ccc(C#N)cc1F 609823414 XRAHFKVYDCHWGI-XJKSGUPXSA-N 290.382 3.951 30 20 CHED COc1cc2ccccc2cc1C(=O)N[C@@H](C#N)CC(C)C 611249661 LKZILNUPGCGNNR-OAHLLOKOSA-N 296.370 3.516 30 20 CHED CC(C)(C#N)CN[C@@H]1CC[C@H](Cc2ccccc2)C1 615136362 MGGYZLGNSASCKO-HZPDHXFCSA-N 256.393 3.537 30 20 CHED C=CCN(C(=O)CC[C@@H](C)c1ccccc1)[C@H](C)COC 617580765 DXPXRRISNPGRIT-HZPDHXFCSA-N 289.419 3.620 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3nc(C)ccc3c2)C1 617781158 GTNBZFYSHTWJII-HNNXBMFYSA-N 294.398 3.972 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 617781550 PHIYTBYMQWNOEW-SNVBAGLBSA-N 297.757 3.613 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2)C1 617788499 KGDJLMBRAJRURZ-HZPDHXFCSA-N 271.404 3.995 30 20 CHED C=CCC1(NC(=O)c2oc(C(C)C)nc2C)CCCC1 619110061 DCBNHAXYPNLPPV-UHFFFAOYSA-N 276.380 3.725 30 20 CHED C[C@@H]1CCc2c(sc3ncnc(NCC4(C#N)CC4)c23)C1 619528148 WMDAAHOKQPXVHM-SNVBAGLBSA-N 298.415 3.532 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(CCC)s1 621351392 QATLLAIWINFBEQ-CJNGLKHVSA-N 279.449 3.771 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(F)ccc(F)c1Cl 622066482 DQUIHUVFZSRLJQ-UHFFFAOYSA-N 287.737 3.950 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)C(C)(C)C 622944521 VYPXVGVJIICSJF-STQMWFEESA-N 293.357 3.881 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(CCC)cc1)C(C)C 643217165 PLMQCVUNMWTWMB-INIZCTEOSA-N 274.408 3.821 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccccc2COC)C1 665559794 QEQVJDNXSIWEIL-AWEZNQCLSA-N 288.391 3.653 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(F)c(OC)c(F)c1 665810610 ZURQBOKKHVFFPJ-UHFFFAOYSA-N 298.333 3.840 30 20 CHED C=C(CNC(=O)CCc1ccccc1C)c1ccccc1 672480471 OXHTYRLCAJVINU-UHFFFAOYSA-N 279.383 3.757 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC)C1CCCCC1 679287970 BEYGLVBZYSJNSD-AWEZNQCLSA-N 252.402 3.563 30 20 CHED CS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)C1 687962966 RDNNOOTUQSVYGT-CVEARBPZSA-N 274.433 3.583 30 20 CHED C[C@@H](CC(=O)OCCCCC#N)C1CCCCC1 725970473 XVDZQFBCUSMZGX-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED C=CCCC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 726502625 FCFVJQHMJSBIRH-UONOGXRCSA-N 251.414 3.921 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccccc2-n2cncn2)s1 726744184 WDYWDCYFPOHKTD-FPLPWBNLSA-N 295.367 3.533 30 20 CHED N#Cc1cc(F)ccc1CSc1nccn1C1CC1 728441534 KHYPKSXJOCFSNH-UHFFFAOYSA-N 273.336 3.521 30 20 CHED C#Cc1cccc(N(CC)Cc2ncc(C(C)(C)C)o2)c1 728573708 XWBBCLIBCIBMGB-UHFFFAOYSA-N 282.387 3.980 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)c1cc2ccccc2o1 730148310 QFJRBRWFGJEONC-UHFFFAOYSA-N 287.322 3.849 30 20 CHED Cc1cccc(C=NNc2ncnc3sccc23)c1C 731151717 SHULQXQIZJRZLT-UHFFFAOYSA-N 282.372 3.754 30 20 CHED CC(=NNc1ccc(Br)nc1)c1ccccc1 732713570 HPZPZZZJVTYCFE-UHFFFAOYSA-N 290.164 3.680 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1sccc1C 733747291 OAVVKHMVWKHIMR-UHFFFAOYSA-N 284.388 3.779 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 733979156 ROVJRMNPPYROER-UHFFFAOYSA-N 297.329 3.760 30 20 CHED N#C[C@H](Sc1nccn1C1CC1)C1CCCCC1 734367976 NVLYVRFNWIVYPW-ZDUSSCGKSA-N 261.394 3.783 30 20 CHED C=CCCCOC(=O)COc1ccc2ccccc2c1 735523260 HJLRGQGWKQVXNH-UHFFFAOYSA-N 270.328 3.728 30 20 CHED C[C@@H]1CC[C@H](OC(=O)CCc2ccc(C#N)cc2)[C@H](C)C1 736032918 JDBGBIMTVNKOHU-CPUCHLNUSA-N 285.387 3.859 30 20 CHED COc1ccc(CCNN=Cc2ccc(C(C)C)cc2)cc1 737439645 AMEAEFRKAWXBHM-UHFFFAOYSA-N 296.414 3.985 30 20 CHED C=C(Cl)CNC(=O)C[C@H](CC)c1ccc(C)cc1 737858265 VRVYQHAMLVBYSG-ZDUSSCGKSA-N 265.784 3.747 30 20 CHED C=CCOc1ccc(OC(=O)c2cc(F)cc(F)c2)cc1 742861705 CGBLLCOPYTVQPB-UHFFFAOYSA-N 290.265 3.749 30 20 CHED N#Cc1ccsc1C(=O)OCc1ccc2ccccc2n1 748053297 ANGSLWUITHHYDQ-UHFFFAOYSA-N 294.335 3.525 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@H]1CC[C@H](C)C1 748923170 XUKTYUANSWORHU-JSGCOSHPSA-N 271.360 3.736 30 20 CHED C=C(Cl)COC(=O)c1cc(-c2cccc(Cl)c2)no1 748924801 OHRSSRXKTXNDFF-UHFFFAOYSA-N 298.125 3.904 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H]1C[C@H](C)O 752642755 WEACAUNSRQETSS-JKSUJKDBSA-N 298.471 3.682 30 20 CHED CC1(C)CCC[C@H](C=NNc2ncccc2[N+](=O)[O-])C1 752736052 YLSIYNZOEOHBND-NSHDSACASA-N 276.340 3.604 30 20 CHED CCCCOC(=O)CSc1ccc(Cl)cc1C#N 753833529 ZVEQSICFXVYKSN-UHFFFAOYSA-N 283.780 3.647 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@H]2C[C@H]2c2ccccc2)cc1 755462094 NEFFHMHYAQUEFJ-CJNGLKHVSA-N 281.315 3.796 30 20 CHED Cc1cc2cc(C=NO[C@@H]3CCCCO3)oc2cc1C 755823339 YYYDTVBHEOSVBO-MRXNPFEDSA-N 273.332 3.927 30 20 CHED C#CC[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 756956851 HRSHIHLEDOLVQG-CQSZACIVSA-N 284.290 3.910 30 20 CHED Cc1cccc2c1CN(c1nc3ccccc3cc1C#N)CC2 758174443 VQXNMFYOKWHFDT-UHFFFAOYSA-N 299.377 3.978 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1c(F)cc(F)cc1Br 758378996 SWIZDGLGSYIAMM-RNFRBKRXSA-N 289.123 3.781 30 20 CHED C#CCCCCNC(=O)N(CCC)Cc1ccccc1F 758879705 HTTHQOGLLRYEJT-UHFFFAOYSA-N 290.382 3.551 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)Oc2ccc(F)cc21 759083258 IMJPRWSXHSCRPJ-WTKPLQERSA-N 281.695 3.552 30 20 CHED Fc1ccccc1NN=Cc1ccc(F)c2cccnc12 759193600 MPGJXAWQWAEFQR-UHFFFAOYSA-N 283.281 3.959 30 20 CHED Fc1ccc(C=Nn2cnc3ccccc32)c2ncccc12 759196545 MHFARFAADSIHJI-UHFFFAOYSA-N 290.301 3.606 30 20 CHED C=C(Cl)CNC(=O)C1(c2ccc(F)cc2F)CCCC1 761170172 ZAYFBZHMMQPSED-UHFFFAOYSA-N 299.748 3.645 30 20 CHED C#CCCc1noc([C@H](C)Oc2cccc(C(C)C)c2)n1 762008833 HXNJZTACKIXMKV-ZDUSSCGKSA-N 284.359 3.899 30 20 CHED CCCCCCCCC(=O)N1CCOC(C)(C)[C@@H]1C 763700021 FGGALVGHARJMKN-AWEZNQCLSA-N 269.429 3.763 30 20 CHED CC(CC1CCOCC1)=NNCc1cnc2ccccc2c1 764790214 YCPDRAYFEXIGLR-UHFFFAOYSA-N 297.402 3.517 30 20 CHED FC(F)(F)CON=Cc1ccc(C(F)(F)F)cc1 764846063 DTEDHODALCUAQM-UHFFFAOYSA-N 271.160 3.618 30 20 CHED CCCCCCCCNC(=O)C[C@H](C)c1c(C)n[nH]c1C 765204018 OMORECOVMRGIRI-ZDUSSCGKSA-N 293.455 3.997 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 767229245 GDQGOJQHGOARKC-CYBMUJFWSA-N 297.329 3.712 30 20 CHED C#C[C@@H](C)N(C)C(=O)/C=C/c1cccc(OC2CCCC2)c1 767244460 YHIQOFBPYVKWAX-RDRICISKSA-N 297.398 3.501 30 20 CHED COc1ccc(NN=C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 767804277 YPTLJCPIXIDPNX-LBPRGKRZSA-N 299.330 3.805 30 20 CHED COCC(=NNc1c(Cl)cc(F)cc1Cl)C1CC1 767911185 OQNSUBGDYNHLDJ-UHFFFAOYSA-N 291.153 3.957 30 20 CHED C=CCN(Cc1ccc(Oc2cnccn2)cc1)C(C)C 768550361 MFZMJISNAWKTDD-UHFFFAOYSA-N 283.375 3.665 30 20 CHED C#CCCCOC(=O)[C@H](C)Oc1cccc2ccccc12 769379587 LQEHWINZHVTFKA-AWEZNQCLSA-N 282.339 3.564 30 20 CHED CCc1ccc(C(C)=NNCc2ccc(C#N)cc2)s1 769821198 PQTFOJDTCSQTLH-UHFFFAOYSA-N 283.400 3.696 30 20 CHED CCCCCCCCC(=O)Nc1cccnc1NC(C)=O 771471512 BNQHGSIXCGMMTR-UHFFFAOYSA-N 291.395 3.729 30 20 CHED CON=Cc1ccc(-c2nc(-c3cc(C)oc3C)no2)cc1 771610126 MFKULSXPANCOOF-UHFFFAOYSA-N 297.314 3.594 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CCc2cc(C)ccc21 772989669 YRLOCKOCGDEZQI-LJQANCHMSA-N 291.394 3.784 30 20 CHED C=C(CC)CN1CCCC[C@H]1[C@@H](O)c1ccccc1 773451284 JQFCVNIUYZTWAH-IRXDYDNUSA-N 259.393 3.541 30 20 CHED CC(=NOC1CCCC1)c1nc2c(s1)CCCC2 774597718 WQMZWGHOEIQDCQ-UHFFFAOYSA-N 264.394 3.705 30 20 CHED CCCCC[C@@H](CC)C(=O)Nc1cc(C)nn1CCC#N 775668936 NHAFXJQFYDXEJA-CQSZACIVSA-N 290.411 3.650 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(-c2cnn(C)c2)c1 775923422 OUMUFQBRDWJOFN-AWEZNQCLSA-N 297.402 3.562 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccccc2F)cc1F 776725716 DDPKOMQVDJLBJW-BQYQJAHWSA-N 269.250 3.733 30 20 CHED C=CCSc1ccccc1C(=O)OCCOC1CCC1 777336538 MNZJLLNPOFDMOP-UHFFFAOYSA-N 292.400 3.691 30 20 CHED COc1ccc(CCC=NNc2ccnc(F)c2)c(C)c1 777446607 QRAOMESJHFHSIF-UHFFFAOYSA-N 287.338 3.568 30 20 CHED COc1ccc2nc(NN=C[C@@H]3C[C@@H]3C)c(C)cc2c1 777913681 QBIAOCUPUHSJLB-GWCFXTLKSA-N 269.348 3.606 30 20 CHED C#CCCCCCC(=O)OC/C=C/c1ccccc1 780254552 BZZAWDPEWWBOEL-JLHYYAGUSA-N 256.345 3.827 30 20 CHED FC(F)Sc1ccc(C=NOCc2cccnc2)cc1 781597495 VORRHGZSWAABPR-UHFFFAOYSA-N 294.326 3.947 30 20 CHED O=C1/C(=C/c2ccc3cnccc3c2)Oc2ccccc21 782341865 MGROMLOIZIAZPY-YVLHZVERSA-N 273.291 3.851 30 20 CHED CCCCCCCC(=O)O[C@H](C)c1nnc(C)s1 782985051 FVHVXVLNHSTWPC-SNVBAGLBSA-N 270.398 3.811 30 20 CHED Cc1cccc(C)c1NC(=S)N1CCC[C@@](C)(C#N)C1 783772136 BNCQTIKOCSGVDJ-INIZCTEOSA-N 287.432 3.626 30 20 CHED CC[C@@H](C)CCCCC(=O)NCc1cc(C#N)ccc1F 784049205 GKWVQESXNQXMFX-CYBMUJFWSA-N 290.382 3.920 30 20 CHED Cc1cc(F)ccc1COC(=O)/C=C\c1ccccc1C#N 784268869 LBXXCTVTBFCVDA-CLFYSBASSA-N 295.313 3.762 30 20 CHED C=CCCCCCOC(=O)Cc1ccccc1CC#N 784565118 FTUXZCCGMGJEFZ-UHFFFAOYSA-N 271.360 3.585 30 20 CHED CCS[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)C(C)C 785823680 ILWDVESWFREEMA-ZIAGYGMSSA-N 283.437 3.780 30 20 CHED C=C(Cl)CN(C)[C@H](COC)c1ccc(Cl)cc1 786177466 DHTCTRLODAECEQ-CYBMUJFWSA-N 274.191 3.712 30 20 CHED C[C@H](CC(=O)OC(C)(C)C#N)c1c[nH]c2ccccc12 786471622 WDAAYYOBIDJEQC-LLVKDONJSA-N 270.332 3.507 30 20 CHED C[C@H](OC(=O)c1c[nH]c(C#N)c1)c1cccc2ccccc12 786899609 DLQOSTWYLQHGPT-LBPRGKRZSA-N 290.322 3.958 30 20 CHED CC(C)(C)CC(=Nn1cc(Br)cn1)C1CC1 787163667 TXZDZBJLYJKCIR-UHFFFAOYSA-N 284.201 3.696 30 20 CHED C#C[C@H](OC(=O)c1ccoc1C)c1ccc(Cl)cc1F 788152153 CKOACFDRCKJTCY-AWEZNQCLSA-N 292.693 3.912 30 20 CHED C#CCC1(C(=O)N2CCc3ccc(C)cc32)CCCCC1 788186182 YJZUOZSCJYJEDY-UHFFFAOYSA-N 281.399 3.858 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C/c1ccc(O)cc1)C2=O 788735160 CXKXURWQZZWBLW-LICLKQGHSA-N 294.350 3.958 30 20 CHED C#Cc1cccc(N(C(=O)C[C@H](C)CC)C(C)C)c1 790635161 SWXRFPWLRNVERD-CQSZACIVSA-N 257.377 3.846 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H](CC)CCCC 791142785 RUCSNFVTKBLCFG-AWEZNQCLSA-N 273.376 3.854 30 20 CHED N#Cc1ccc(CNN=Cc2ccc3c(c2)CCCC3)cc1 793033919 GFTORMCXRDVPMX-UHFFFAOYSA-N 289.382 3.561 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1cccc(Cl)n1 793173974 GCRUTVGBQRKRQR-GHMZBOCLSA-N 251.761 3.959 30 20 CHED CCCC(=NNc1ncncc1F)c1ccc(Cl)cc1 793218641 YDXCIRRAPPMRFK-UHFFFAOYSA-N 292.745 3.885 30 20 CHED CCC[C@H](CCc1ccccc1)NC(=O)c1ccc(C#N)o1 794355887 VZESLDDSARSWOQ-OAHLLOKOSA-N 296.370 3.683 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2ccccc2Cl)[C@@H]1C 794453616 UBPQWJSLGZLXPX-GHMZBOCLSA-N 294.782 3.717 30 20 CHED CCC(=NOCCSC)c1cccc(Cl)c1 794573740 ILTJHFAAIZBGKQ-UHFFFAOYSA-N 257.786 3.834 30 20 CHED C(=NNc1nccc2sccc12)[C@H]1CCCSC1 794895004 ASOHQHIZZQIHIO-SNVBAGLBSA-N 277.418 3.837 30 20 CHED CC(=NNc1ncccc1F)c1ccc2ccccc2n1 794983757 FHKGXYJEFKVVJI-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 796463223 NHXONXNHKRYRDD-UHFFFAOYSA-N 297.738 3.894 30 20 CHED C=CCCCOC(=O)c1ccc2nccc(C)c2c1 797087497 MQPQBENBZGYEEZ-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCCCCCC 798071959 RXOQHVKHSSPCCH-CVEARBPZSA-N 296.455 3.627 30 20 CHED Cc1ccc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)cc1C#N 799343213 CGKQFKVPQGYLPK-CYBMUJFWSA-N 298.308 3.574 30 20 CHED Cn1cnc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)c1 800793088 HFDCVBFLHIGFKU-XBXARRHUSA-N 293.153 3.549 30 20 CHED C[C@@H](C#N)OCCSCc1cc2ccccc2o1 802751570 KBWFQBRWVFMCDK-NSHDSACASA-N 261.346 3.595 30 20 CHED C=C[C@H](CC(=O)OCCCCF)c1ccccc1 803411164 KHGCMRLRYKAYET-CYBMUJFWSA-N 250.313 3.639 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C2/CC[C@H](C)C2)cc1 804139567 DELYHKCIFRALKO-QXPQOBGOSA-N 285.387 3.614 30 20 CHED Cc1ccc(-c2ccc(C=NN[C@@H]3CCSC3)o2)cc1 808001750 PNFYHWHPWISLIA-CQSZACIVSA-N 286.400 3.684 30 20 CHED COc1ccc(/C=C2/Cc3c(ccc(OC)c3F)C2=O)cc1 809157542 UFBVBHPDAAKXDO-XFXZXTDPSA-N 298.313 3.665 30 20 CHED CCCCCCCCNCc1ncc(C2OCCO2)s1 809602495 ZKOQOGJXUWDACH-UHFFFAOYSA-N 298.452 3.639 30 20 CHED C#C[C@@H](N[C@H](C)C1CC1)c1ccc(Cl)cc1F 809699607 UVOYWNWXKIRANS-YMTOWFKASA-N 251.732 3.542 30 20 CHED C(=NNc1cnc2ccccc2n1)c1ccc2[nH]ccc2c1 811640791 ADJCSAGKTIBEKQ-UHFFFAOYSA-N 287.326 3.557 30 20 CHED Clc1cccc2c1CCCC2=NNC[C@H]1CCSC1 811658547 ZOUVHWZTVBVLTB-LLVKDONJSA-N 294.851 3.723 30 20 CHED C=CCCCCCCCNC(=O)N1CCC(C)(C#N)CC1 811927839 QGQSGIGKTCOOLT-UHFFFAOYSA-N 291.439 3.848 30 20 CHED CN(c1ccccc1)c1ccc(C=NOC2CCC2)cn1 812235932 DHRYXWCUOMHUEA-UHFFFAOYSA-N 281.359 3.753 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc2c(c1)CCC2 812445433 QVRIMCGOXRCFMA-UHFFFAOYSA-N 294.354 3.710 30 20 CHED C[C@@H]1SCCC1=NNc1ccc2ccccc2n1 814697579 UMTWLBDIJJDHFU-JTQLQIEISA-N 257.362 3.528 30 20 CHED CCCC(=NNc1ccccn1)c1ccc(OC)cc1 814731659 FJEVSWLYJXLQMI-UHFFFAOYSA-N 269.348 3.707 30 20 CHED CON=C(Cc1ccc(F)cc1Cl)c1ccoc1 814795661 GWKWPXBQGQHMNJ-UHFFFAOYSA-N 267.687 3.665 30 20 CHED COc1ccc(C=NNc2ccc(F)c(F)c2F)cc1F 814946506 OMLOXONFJTYPLV-UHFFFAOYSA-N 298.239 3.698 30 20 CHED Cc1cc(C=NNc2nnc(-c3ccccc3)s2)c(C)[nH]1 814947333 LWBYCYQWZDBNJH-UHFFFAOYSA-N 297.387 3.596 30 20 CHED CCOc1ccc(NN=C(C)c2cc(C)ccc2O)cc1 814984744 UGLCUHCYKWGLEG-UHFFFAOYSA-N 284.359 3.935 30 20 CHED N#CCCCOc1cccc(NC[C@H](O)c2ccccc2)c1 819415600 GHGKMXKDSIEKGS-SFHVURJKSA-N 296.370 3.515 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccccc2N2CCCCC2)C1 826862018 RDAKLVQWWWFITR-KRWDZBQOSA-N 297.446 3.803 30 20 CHED Cn1ncc2c1CC/C(=C/c1ccc(C3CCC3)cc1)C2=O 834417406 NPXAFGLDIBUPMG-WJDWOHSUSA-N 292.382 3.900 30 20 CHED CC(CCCc1cccnc1)=NOCCC(F)(F)F 834972435 OIXBVXXHFMYYIT-UHFFFAOYSA-N 274.286 3.749 30 20 CHED C[C@@H](OC(=O)[C@]1(C)CC=CCC1)c1cccc(C#N)c1 835130338 GFJKLNPTOMGKMM-CXAGYDPISA-N 269.344 3.909 30 20 CHED CC1CC(C(=O)O[C@H](C)CC#N)(c2cccc(Cl)c2)C1 835159051 NGYUTHQQEVAFBU-BWBHSNQOSA-N 291.778 3.853 30 20 CHED CS[C@H](C)CCOC(=O)c1ccccc1SCC#N 835663241 KTKKCNWMNAIUAP-LLVKDONJSA-N 295.429 3.601 30 20 CHED CC(C)N(Cc1cccs1)C(=O)C#CC(C)(C)C 837366054 RPEILPRTSGKRLN-UHFFFAOYSA-N 263.406 3.535 30 20 CHED CCC(=NNc1cc(C(F)(F)F)ccn1)[C@H]1C[C@H]1C 841639994 JBTLGHIZKZFNOE-SCZZXKLOSA-N 271.286 3.934 30 20 CHED C#C[C@H](OC(=O)[C@@H](CCC)OC)c1ccc(Cl)cc1F 842351854 AWYMXJDNGDVPIA-UONOGXRCSA-N 298.741 3.512 30 20 CHED COc1ccc(C(=O)/C=C/c2ccnn2CC(C)C)c(C)c1 843271761 FGXWQKBOCFZTEZ-VMPITWQZSA-N 298.386 3.752 30 20 CHED C#C[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1 843638367 LCSNCUIFKLKLQH-PKOBYXMFSA-N 289.378 3.597 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccccc1C(C)C 848551226 GTKSAKPJFOMUDH-FUHWJXTLSA-N 273.420 3.881 30 20 CHED CCc1ccc(C(=O)/C=C/c2cc(COC)cs2)o1 849246760 KSQTZQZBYBZLAL-AATRIKPKSA-N 276.357 3.946 30 20 CHED C=CCC[C@H](C)OC(=O)CCC(=O)c1c(F)cccc1F 850274611 YFYNEWOABYZQPO-NSHDSACASA-N 296.313 3.826 30 20 CHED C=CCCN[C@H](C)c1ccc(Cl)c(Cl)c1O 850502303 OATFCHFGHZTGEY-MRVPVSSYSA-N 260.164 3.926 30 20 CHED CC(C)(C)C#CCOC(=O)CC[C@@H]1CC1(Cl)Cl 851008485 QROQVILSVPVASW-SNVBAGLBSA-N 277.191 3.553 30 20 CHED Cc1oncc1CSCCCOc1ccc(C#N)cc1 853764037 BKTPOXBIHFRONE-UHFFFAOYSA-N 288.372 3.557 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NNc2ncc(Cl)cn2)C1 857220650 LFZRVSPWJZMRFE-SSDOTTSWSA-N 292.692 3.650 30 20 CHED CCCC1CCC(=NNc2ncc(Cl)cn2)CC1 857221540 FROMKJKWUVJKPY-UHFFFAOYSA-N 266.776 3.888 30 20 CHED CSc1cccc(NC(=O)CC2(C#N)CCCCC2)n1 857258790 GATGFGDDTXNODI-UHFFFAOYSA-N 289.404 3.606 30 20 CHED CC(C)c1ccccc1C(=O)N1CCc2cc(C#N)ccc21 857629283 QUGQAQOQNDSIMP-UHFFFAOYSA-N 290.366 3.885 30 20 CHED C#CCCOC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 858937165 ZLOKYYNRBDUXRW-UHFFFAOYSA-N 299.292 3.690 30 20 CHED CSc1ccc(/C=C/C(=O)N[C@H](C#N)C(C)(C)C)s1 859917003 SJYMNZXZQVPHEO-OKPNEXGHSA-N 294.445 3.538 30 20 CHED CC(C)(CC#N)CNCc1cccc(OC(C)(C)C)c1 865598939 ADPNPDKTPOTOHF-UHFFFAOYSA-N 274.408 3.893 30 20 CHED C[C@H](CC#N)NCc1cccc(SC(F)(F)F)c1 878820642 OAARHLRDWCVSFZ-SECBINFHSA-N 274.311 3.690 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2nnc(CC)o2)c1 879030008 ZBHVHHMFCGWZFO-UHFFFAOYSA-N 299.374 3.840 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCc3c(OC)cccc32)CC1 889505377 ZFVBPXYVCSWETJ-INIZCTEOSA-N 285.387 3.545 30 20 CHED Cc1ccc(N[C@@H](C)CC(C)(C)C#N)c(CN(C)C)c1 892375887 UUTVPPOBPCNQEX-AWEZNQCLSA-N 273.424 3.797 30 20 CHED C=CCN(C(=O)NCCC1CCC(F)(F)CC1)C(C)C 898582676 AWGGKNAWGXUBHL-UHFFFAOYSA-N 288.382 3.808 30 20 CHED C=CC[C@H](CC)N[C@H]1CCC[C@@H](CCCC(=O)O)C1 902261716 BEWCQQMHFBRRAA-KKUMJFAQSA-N 267.413 3.744 30 20 CHED C=C[C@H](CC)Cc1nc(C2(c3ccncc3)CCC2)no1 904102062 GUJCJRRSLRMXCE-CYBMUJFWSA-N 283.375 3.689 30 20 CHED Cc1cccc(-c2cccc(C(=O)N(CC#N)C3CC3)c2)c1 906400082 GJSBJDHBJDJUNA-UHFFFAOYSA-N 290.366 3.790 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccsc1C#N 906710388 NLWGIDQMGRNRHN-OCCSQVGLSA-N 296.395 3.638 30 20 CHED C[C@@H](C(=O)OCCCCC1(C#N)CCC1)C(F)(F)F 909034818 OCVIXELURYXMBT-JTQLQIEISA-N 277.286 3.592 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2sccc2C)c1 914558378 VGPXHDZBWJTDMD-SXGWCWSVSA-N 275.373 3.780 30 20 CHED CCCCCCCCc1nnc(NC(=O)NCC)s1 915312045 YSARTVCJKGHUHE-UHFFFAOYSA-N 284.429 3.583 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccc(C)s2)c1 915981646 FITZTBSHVJQFKV-SXGWCWSVSA-N 275.373 3.780 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2cccn2C)cc1 917552635 UFSZERAAEMDORQ-CQSZACIVSA-N 269.392 3.833 30 20 CHED CCN(CC)c1ccc(/C=N\Cc2cccs2)c(O)c1 920942273 VHWFILNNQAIORV-BOPFTXTBSA-N 288.416 3.919 30 20 CHED C/C(=C/C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 921276198 DUDSJPFOHZRHPK-BENRWUELSA-N 280.302 3.739 30 20 CHED Cc1cccc2cc(C(=O)N3CCC[C@@H](C#N)C3)sc12 928215093 HPNHFPYUYWQXPJ-LBPRGKRZSA-N 284.384 3.586 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)Nc1ccc(OCC#N)cc1 1119234824 GDAOKJOSZHNSRP-KSSFIOAISA-N 296.370 3.777 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1cccc(OC)c1 1120734183 UVFZXNDYBRIOBR-MRXNPFEDSA-N 287.403 3.585 30 20 CHED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3C[C@H]3F)cc2)c1 1125979321 HOWLXHOUAIIXIW-JKSUJKDBSA-N 296.301 3.647 30 20 CHED N#Cc1cc(Cl)c(C(=O)Nc2ccns2)c(Cl)c1 1150094818 UUNFIXIOTBPYEA-UHFFFAOYSA-N 298.154 3.574 30 20 CHED Cc1ccnc(NCC2(c3ccc(F)cc3)CCC2)c1C#N 1162360954 IOVWNLMITGKQPW-UHFFFAOYSA-N 295.361 3.935 30 20 CHED N#Cc1cc(Cl)ccc1SCC(=O)c1ccc[nH]1 1188870796 WDORQMUZUJVWCG-UHFFFAOYSA-N 276.748 3.515 30 20 CHED CCOc1ccccc1NC(=O)Nc1cc(C)cc(C#N)c1 1202150926 JJSHLFDBTVNNER-UHFFFAOYSA-N 295.342 3.909 30 20 CHED C=C(CC)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 1263773286 PKYSCIASMVVNGE-CYBMUJFWSA-N 279.767 3.636 30 20 CHED C=C(Cl)COC(=O)c1cc(SC)ccc1C 1317777985 SXOONUCYAULMSE-UHFFFAOYSA-N 256.754 3.626 30 20 CHED N#Cc1nnc2ccccc2c1N1CC[C@@H]2CCCC[C@H]2C1 1318659826 HIFWNHSNQNWYGM-KBPBESRZSA-N 292.386 3.518 30 20 CHED Cc1cccnc1CNc1cccc(OCCCC#N)c1 1319991768 FHQZFFCFRIMGKS-UHFFFAOYSA-N 281.359 3.685 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(OCC#N)cc1 1320304241 VUUNEUDJTPPADA-LBPRGKRZSA-N 274.364 3.600 30 20 CHED CN(C)c1cccc(Cl)c1CN(CCC#N)CC1CC1 1320635158 BHWFFVNLKVJSFK-UHFFFAOYSA-N 291.826 3.532 30 20 CHED CC(C)(CNC(=O)CC#Cc1ccccc1)C1=CCCC1 1325326681 VXELEENKTHJVOY-UHFFFAOYSA-N 281.399 3.681 30 20 CHED C[C@H]1CC[C@H](c2nnc(COc3ccccc3C#N)o2)CC1 1329296278 CQDWLJWOUXNGGQ-JOCQHMNTSA-N 297.358 3.814 30 20 CHED C=CCN(C(=O)c1oc(C2CC2)nc1C(F)F)C(C)C 1337292890 SRZFTJCFCCKJCF-UHFFFAOYSA-N 284.306 3.526 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc(-c2cnco2)c1 1337550929 MVNOTUHINMCBSL-INIZCTEOSA-N 296.370 3.912 30 20 CHED C=C(C)CCC(=O)NC[C@@H](c1ccccc1)C(F)(F)F 1338820129 VISMYPGDEPRDET-ZDUSSCGKSA-N 285.309 3.805 30 20 CHED CCC[C@H](C)N(C)c1nnc(C(C#N)(CC)CC)n1CC 1339407060 GQPRZSDNOIFUOH-ZDUSSCGKSA-N 291.443 3.504 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N(C)C[C@@H]1CC=CCC1 1346270176 QSXUOMBUOULWLM-GFCCVEGCSA-N 296.365 3.584 30 20 CHED C=C(CC(C)C)C(=O)N1CCC(CC(F)(F)F)CC1 1347044363 UFOLMNTTXPHOAC-UHFFFAOYSA-N 277.330 3.780 30 20 CHED Cc1ccnc(N[C@H]2CCCc3c(F)cccc32)c1C#N 1458409317 YMUFZPBKXAECKQ-INIZCTEOSA-N 281.334 3.890 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCc2ccccc2F)n1 1459136216 HWKHULHKKWJRQX-UHFFFAOYSA-N 284.334 3.969 30 20 CHED N#Cc1c(F)cccc1NCc1ccccc1-c1ncc[nH]1 1472883395 SCFMMPPZTAKJMG-UHFFFAOYSA-N 292.317 3.700 30 20 CHED N#Cc1c(F)cccc1SCC(=O)Cc1ccccc1 1473037105 JSGSVARSRZQGIX-UHFFFAOYSA-N 285.343 3.601 30 20 CHED CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2C)C12CCCC2 1473457198 QTRLJNUTPCMFRL-MSOLQXFVSA-N 298.430 3.694 30 20 CHED N#Cc1c(F)cccc1-n1ccc(NCC2CCCCC2)n1 1474108552 YNJCSOCJOXSPRR-UHFFFAOYSA-N 298.365 3.875 30 20 CHED CCCCC1CCC(NC(=O)N2CCC[C@H](C#N)C2)CC1 1477574852 TYBBTJMFGMDYAI-HWOWSKLDSA-N 291.439 3.681 30 20 CHED Cc1ccc(C(=O)NCC2CCCCCC2)cc1C#N 1525821162 YCQYQXBDNOIOIH-UHFFFAOYSA-N 270.376 3.567 30 20 CHED N#Cc1ccc(F)c(C(=O)N2CCCCc3ccccc32)c1 1533295370 OELZUVACPYYHOL-UHFFFAOYSA-N 294.329 3.680 30 20 CHED C[C@@H]1CCc2sc(NC(=O)[C@@H]3C[C@H]3F)c(C#N)c2[C@@H]1C 1544833220 RBGJECHAQLMEPX-TURQNECASA-N 292.379 3.602 30 20 CHED N#Cc1cnnc(NC(c2cccs2)c2cccs2)c1 1559114461 UOGZNNSZDTVDIS-UHFFFAOYSA-N 298.396 3.673 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1cccc(C#N)c1F 1559591469 XDOVQTFRUNXCFW-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED Cc1cc2c(NC(=O)C(C)(C)CC(C)C)n[nH]c2cc1C#N 1583608785 FGVQRHZYSJRBSM-UHFFFAOYSA-N 298.390 3.754 30 20 CHED C#CCCCCCCN1CC[C@H](C(=O)O)[C@H]2CCCC[C@@H]21 1588441758 KIYBTEDDYUXEDY-IKGGRYGDSA-N 291.435 3.535 30 20 CHED Cc1cccc2c1CCN2C(=O)[C@H](CC#N)c1ccccc1 1597643804 UGYNQYYXUZMHDW-QGZVFWFLSA-N 290.366 3.582 30 20 CHED C[C@H]1N(Cc2cc(C#N)ccn2)c2ccccc2C1(C)C 1620420123 UPRXUTMARZOJHO-CYBMUJFWSA-N 277.371 3.640 30 20 CHED COc1cc(OCc2cccc3ncccc23)ccc1C#N 1641093913 WNYRIINPMCFVGM-UHFFFAOYSA-N 290.322 3.694 30 20 CHED CC(C)c1ccc(CN(C)c2ncc(C#N)cc2F)cc1 1642042947 FFKHVFFCQFSZKX-UHFFFAOYSA-N 283.350 3.852 30 20 CHED Cc1ccc(CNc2nc(C#N)c(Cl)s2)c(C)c1 1642091530 APEUMGOTEKTCAE-UHFFFAOYSA-N 277.780 3.897 30 20 CHED COc1ccc(C[C@H](C)CNc2cc(C)c(C#N)cn2)cc1 1642518842 GSZXRJVMZXOMPQ-ZDUSSCGKSA-N 295.386 3.561 30 20 CHED CCCC1CCC(N(C)c2cccc(C#N)n2)CC1 1642658771 LTEJSELFIJIEIT-UHFFFAOYSA-N 257.381 3.748 30 20 CHED COc1cccc(COc2ccc(C#N)c(F)c2)c1C 1643709891 JGNXBHPBMQXQCI-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)Cc1ccc(OCC#N)cc1 1645303289 KGSFFXZQXLQAFJ-WMZOPIPTSA-N 286.419 3.990 30 20 CHED CC[C@@H]1C[C@H]1CN(CC)[C@@H](C)c1ccc(C#N)cc1 1653200442 PCQAMNGCWCVHFN-LXZKKBNFSA-N 256.393 3.987 30 20 CHED CCc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1 1658544010 WKGOLZYTTXZGHR-INIZCTEOSA-N 256.393 3.763 30 20 CHED Cc1ccccc1N(C)Cc1ccc(OCC#N)cc1 1659535645 CIDUEHXHYCRJOZ-UHFFFAOYSA-N 266.344 3.534 30 20 CHED CC[C@]1(C)CCCC1=NNc1ccc(F)c(C(=O)O)c1 1776063790 IHMDHQHZKIUNEA-OAHLLOKOSA-N 278.327 3.892 30 20 CHED O=C(O)c1ccc(NN=C2CCC3(CCC3)C2)cc1F 1776076804 HYQAWJPYADIICS-UHFFFAOYSA-N 276.311 3.646 30 20 CHED C=CC[C@H](CC(C)C)C(=O)Nc1cc(C)cc(C(=O)O)c1 1776151912 IXIABXGUBYOGHR-CYBMUJFWSA-N 289.375 3.870 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2ccc(Cl)cc2)CC1 1776161525 NNPBUVVFDWJGEY-UHFFFAOYSA-N 293.794 3.583 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(C(=O)O)c(F)c1)C2=O 1777455928 NTSLRSMWPMKERQ-GHXNOFRVSA-N 296.297 3.655 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(/C=C/C(=O)O)cc1 1777465317 PAAPOGMJJPPKDE-DCIPZJNNSA-N 292.334 3.989 30 20 CHED C[C@H](Cc1ccsc1)Nc1ccc(F)cc1C#N 104248891 RITDAOAWLPODDY-SNVBAGLBSA-N 260.337 3.802 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 8528025 WGOFPAORSISOOD-GFCCVEGCSA-N 291.310 3.748 30 20 CHED Cc1ccc(CN(CC#N)CCc2ccccc2)s1 53420594 GWDRRHOMYCRSEH-UHFFFAOYSA-N 270.401 3.625 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCCCCC#N)C1 172374975 IMPVCBZOGYBFLT-CVEARBPZSA-N 299.418 3.576 30 20 CHED CCSc1cccc(NC(=O)N2CCC(C#N)CC2)c1 172214753 WVBLOKUGJDVBTB-UHFFFAOYSA-N 289.404 3.566 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)c1 56000810 NNMAHVAGUBFYOH-SFHVURJKSA-N 290.366 3.844 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)CC1CC1 108981189 XGXYEJGGFOXBTA-LLVKDONJSA-N 274.389 3.819 30 20 CHED C=CCCCS[C@@H](C)C(=O)N(C)c1ccccc1 117943588 OAUUPXYDMHJADB-ZDUSSCGKSA-N 263.406 3.737 30 20 CHED C=CCOC(=O)c1oc2ccccc2c1COC(C)C 58818075 BWRCSDZFKKOFPA-UHFFFAOYSA-N 274.316 3.701 30 20 CHED C=CCCCCCN(C)C(=O)CCc1cccs1 172465409 WPWLMRCBNFULTC-UHFFFAOYSA-N 265.422 3.886 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H](C)c1ccccc1 103440719 AIVYBBODZNEKDD-INIZCTEOSA-N 286.419 3.969 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 111700265 ZGPTWPBFHCFPHC-UHFFFAOYSA-N 258.365 3.733 30 20 CHED C=C(C)CCOC(=O)c1cnc(-c2ccco2)s1 174806674 CTTBPRWJIILTGB-UHFFFAOYSA-N 263.318 3.526 30 20 CHED CCOc1ccc([C@H]2CCCN2c2ncccc2C#N)cc1 26761131 VROFRJDPDMBLTD-QGZVFWFLSA-N 293.370 3.693 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1CCCC#N 69679654 XJZCJMUUFRJVTN-SJORKVTESA-N 256.393 3.948 30 20 CHED 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N#CCCCCNC(=O)N1CCC[C@H](c2ccccc2)CC1 170884736 HFOPDAVLKQVEJK-KRWDZBQOSA-N 299.418 3.660 30 20 CHED C=CC[C@@H](C)NC(=O)c1occc1COc1ccccc1 116859768 TUEMSAOMQPCBTR-CYBMUJFWSA-N 285.343 3.553 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(Cl)c(C#N)n2)o1 67368730 HUHXYHQBIGFQHI-KOLCDFICSA-N 287.750 3.935 30 20 CHED N#Cc1ccc(NCCc2ccc3ccccc3c2)cn1 301547309 XEYZNQDNTMZYSG-UHFFFAOYSA-N 273.339 3.761 30 20 CHED COCCC1(CNc2ccc(Cl)c(C#N)n2)CCCC1 301648464 ITMLQQLPITWIBM-UHFFFAOYSA-N 293.798 3.615 30 20 CHED COc1ccc(CC/C(C)=N/OCc2cccnc2)cc1 179007572 QRORTPZGPLTVDZ-XMHGGMMESA-N 284.359 3.616 30 20 CHED C=CCCCS[C@@H](C)C(=O)NCCc1ccc(F)cc1 117944610 SXOYVQORMZMTIA-ZDUSSCGKSA-N 295.423 3.572 30 20 CHED C#CCCCNC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 174106221 KBSCLORHTIILEH-UHFFFAOYSA-N 299.201 3.548 30 20 CHED Cc1nnc(SCCCC#N)n1[C@@H]1CCC[C@H](C)C1 127311579 RUVFXXWQOBNPHK-WCQYABFASA-N 278.425 3.734 30 20 CHED CCN(CCc1cccs1)c1ncc(C#N)cc1Cl 479481377 RLRQZBTXTCECOA-UHFFFAOYSA-N 291.807 3.737 30 20 CHED 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256.330 3.533 30 20 CHED C=CC[C@@H](CC)NCc1ccnc(Cl)c1Cl 291684969 XMPLXFUASZCDRK-SNVBAGLBSA-N 259.180 3.833 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2ccc(Cl)cc2n1C 426543280 IDGFWXCTSSAYKN-CYBMUJFWSA-N 289.810 3.767 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCC1CC(F)(F)C1 425944661 NVZQLLDXWIDZKY-INIZCTEOSA-N 290.357 3.961 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccc(C3CCC3)cc2)C1 192263135 NVKONJWWRFAJCX-MLGOLLRUSA-N 269.344 3.803 30 20 CHED CC(C)(CC(=O)N(CC#N)c1ccccc1)c1ccccc1 195117350 JNKZOCXVONEWAO-UHFFFAOYSA-N 292.382 3.911 30 20 CHED CC(C)[C@H](Sc1ccc(C#N)cn1)C(=O)c1ccccc1 515288361 PNVKCUCFEHGJRX-KRWDZBQOSA-N 296.395 3.953 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1c[nH]c2c(CC)cccc12 424662178 JBCWXFUGCLXJSH-UHFFFAOYSA-N 298.430 3.991 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCc1ccsc1 425122607 CZQPRCRLZPLNDK-ZDUSSCGKSA-N 298.411 3.772 30 20 CHED COCCOc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 193013124 QRRNSMUSDJFUNU-AWEZNQCLSA-N 296.370 3.757 30 20 CHED O=C(/C=C\c1csc(Br)c1)c1cccnc1 97015575 NLEQRDIICCKAOV-ARJAWSKDSA-N 294.173 3.802 30 20 CHED OC1=NCC[C@H](/C(O)=N/Cc2ccc(C3CCC3)cc2)C1 330226354 OSPCOCLEJUGJBI-HNNXBMFYSA-N 286.375 3.777 30 20 CHED CC1(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]2C[C@@H]2C1 334645342 NXYDFLPGADQMRR-VXGBXAGGSA-N 288.778 3.781 30 20 CHED CC1(C)CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 335584238 TXERLSNTJUXZEO-UHFFFAOYSA-N 291.782 3.670 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@H](CC(F)(F)F)C1 420854641 ZITVBZLSWZASCO-LLVKDONJSA-N 292.345 3.573 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCOc2c(CC)cccc21 424637233 JMKHDZQOWQMFOH-OAHLLOKOSA-N 287.403 3.791 30 20 CHED CC(C)(C#N)CCOc1c(F)c(F)cc(F)c1F 232523651 HAHVCMURGNBYJT-UHFFFAOYSA-N 261.218 3.562 30 20 CHED C=C(C)CNCc1ccc(OC)c(OCCCCC)c1 512395416 VDUFIHAYCRMVPG-UHFFFAOYSA-N 277.408 3.930 30 20 CHED C[C@@H]1CC(CCNc2ccc(C#N)cc2)C[C@@H](C)O1 338489613 RJDKCJTTWCSOQE-CHWSQXEVSA-N 258.365 3.564 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1 93062805 NOKQSUFDFGOPRZ-QGZVFWFLSA-N 294.329 3.505 30 20 CHED CCC(=O)CCCSc1cccc(F)c1C#N 514949585 INEQIQLJUFLKTE-UHFFFAOYSA-N 251.326 3.549 30 20 CHED COc1cc(C)c(NC(=O)c2cccc(C#N)c2C)cc1F 337825115 QJCFPJYDIFRNAM-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C=CCC[C@H](N[C@H]1CCOc2ccc(F)cc21)C1CC1 437052731 FRCNMMBQWDMOPM-HOTGVXAUSA-N 275.367 3.984 30 20 CHED CC(C)C(C)(C)CNc1nc(Cl)c(C#N)s1 232821988 GNTHTVOFRZJEQK-UHFFFAOYSA-N 257.790 3.762 30 20 CHED C=CCC[C@@H](NCCCCN1CCCC[C@H]1C)C1CC1 245907040 CMBLAMXNRPRLOW-SJLPKXTDSA-N 278.484 3.975 30 20 CHED COCc1ccc(NC2CCC(C)(C#N)CC2)cc1C#N 527760182 AKRSJMXOOAGXCR-UHFFFAOYSA-N 283.375 3.589 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(F)c3)[nH]c12 345389892 BQEGEZFALIPMLJ-CYBMUJFWSA-N 293.301 3.501 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cccc(-c2ccncc2)c1 341881490 RJYKTWXOEDZOHN-HOTGVXAUSA-N 296.414 3.584 30 20 CHED CCCC[C@@H](COC)N[C@H]1CCCc2cc(C#N)ccc21 341698414 PLBMTOSFVXONKB-WMZOPIPTSA-N 286.419 3.730 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C)cc1C 436282389 JCRRIWURXKNQJE-RYRKJORJSA-N 273.420 3.935 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H]1c1ccccc1 347303863 IYAGWEBRAOGHSK-SFHVURJKSA-N 292.382 3.904 30 20 CHED COc1cc(OCc2ccccc2SC)ccc1C#N 435788320 AVZZIQCQJKOBGA-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C=C(C)CS(=O)(=O)N(c1ccccc1)C1CCCCC1 435435960 CSILMXOPGYSNNL-UHFFFAOYSA-N 293.432 3.732 30 20 CHED N#CCCCC(=O)N1CCCSc2cc(Cl)ccc21 602407692 ULEWBHJIZOVATO-UHFFFAOYSA-N 294.807 3.863 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCC(C)(F)F 609189206 CDKQAYYGHBWPCJ-UHFFFAOYSA-N 274.355 3.600 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc(OCC#N)cc1 255196007 UHWQDECCIYIVAF-UITAMQMPSA-N 295.313 3.933 30 20 CHED CC[C@@]1(C)CCCN(C(=O)/C=C\c2ccccc2C#N)C1 255864118 AVJZVJOEDLFINE-LPADLIQXSA-N 282.387 3.610 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1ccccc1CC 606902590 AVOFZIUNJPMCFF-UHFFFAOYSA-N 288.435 3.866 30 20 CHED C=C(CC)CNCc1c[nH]nc1-c1ccc(Cl)cc1 449734200 RKHFYYQHZPGTBJ-UHFFFAOYSA-N 275.783 3.786 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1(SC)CCC1 447336784 XVJZOBPEMGTZNE-UHFFFAOYSA-N 281.465 3.867 30 20 CHED CC(=O)Nc1cccc(CON=Cc2ccccc2C)c1 255556662 YJJMSTNGXFVAQN-UHFFFAOYSA-N 282.343 3.504 30 20 CHED C=CCOc1cccc(NC(=O)Nc2c(C)noc2C)c1 352070909 DXTCPMVZBIJSHF-UHFFFAOYSA-N 287.319 3.500 30 20 CHED Cc1ccc2c(c1)nc(CNc1ccc(F)cc1C#N)n2C 357449020 BBUYLXHHNYKUSS-UHFFFAOYSA-N 294.333 3.505 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 448947190 VIIAKPJPWLGNGO-ZHALLVOQSA-N 298.430 3.844 30 20 CHED C=CC[C@H](CO)CN[C@@H](CCC(C)C)c1ccoc1 353625581 VYUDIBMQDPCMSZ-HOCLYGCPSA-N 265.397 3.531 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1ccc(C)cc1Cl 446703274 WDTMLYRJHJGWSX-LLVKDONJSA-N 283.824 3.572 30 20 CHED CCCCc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1 448560816 CICNYMMCOHXAJJ-BLLLJJGKSA-N 256.349 3.517 30 20 CHED N#CCCCCCc1nc(-c2cccc3cnccc23)no1 350055646 PLDLSCMHTMNWTM-UHFFFAOYSA-N 292.342 3.911 30 20 CHED C=CCCCC[C@H](C)NC[C@H](C)c1nccs1 449236767 LITXKMPZPZUMSY-STQMWFEESA-N 252.427 3.971 30 20 CHED CC(C)(C#N)c1ccc(CN2CC[C@H]3CCC[C@@H]32)cc1 614600427 IRNLJINEDLLKPU-WBVHZDCISA-N 268.404 3.862 30 20 CHED N#Cc1ccc(/C=C\c2nc(-c3ccccc3F)no2)cc1 612869791 MESKFJCLZRJXMQ-KTKRTIGZSA-N 291.285 3.918 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 355390514 GKEJMLQZLSAFJS-TZMCWYRMSA-N 297.402 3.897 30 20 CHED C=CCn1c(C(C)C)nnc1N(Cc1ccco1)C(C)C 350752522 PLAPPULBBJKJGK-UHFFFAOYSA-N 288.395 3.596 30 20 CHED N#Cc1ccnc(SCc2ccc3c(c2)CCC3)c1 351826377 GNWXLGUQKDRMNL-UHFFFAOYSA-N 266.369 3.734 30 20 CHED C[C@H](CNCc1cc(C#N)cs1)c1ccc(F)cc1 530640495 BMSSMCRAKYOPSI-LLVKDONJSA-N 274.364 3.652 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(c3ccc(F)cc3Cl)CC2)C1 442847208 PWOGQQUYWPPRHE-DGCLKSJQSA-N 292.785 3.793 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCc2cc(C)ccc21 350729997 PIOKOILZLJCEGN-UHFFFAOYSA-N 294.402 3.734 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)Cc1cccc(C(F)F)c1 448343727 WIAWDGHMEIGCBO-MRXNPFEDSA-N 294.345 3.611 30 20 CHED C=CC1CCN(C[C@H](C)c2ccc(OC)cc2)CC1 537180613 JGBXYRBSMSEHTG-AWEZNQCLSA-N 259.393 3.697 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 355390513 GKEJMLQZLSAFJS-OCCSQVGLSA-N 297.402 3.897 30 20 CHED CCc1cccnc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 611559437 AYWRSTZYVSCVMR-UONOGXRCSA-N 279.387 3.927 30 20 CHED C=CCC1(NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CCCC1 619111999 PJICJJUREJPLFF-JKSUJKDBSA-N 285.387 3.501 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 454857422 PYENJCAQHUPURS-NSHDSACASA-N 290.338 3.898 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCC1(C2CC2)CC1 611394415 ILUGSELLPVVWFL-QGZVFWFLSA-N 266.388 3.715 30 20 CHED CSc1ccc([C@@H](C)NCC2(C#N)CCC2)cc1 450907489 SYNZNHWWHATYQH-GFCCVEGCSA-N 260.406 3.753 30 20 CHED C[C@]1(C#N)CCCN(C/C=C\c2ccc(F)cc2F)C1 612581964 BVUFJQDSRPQCFL-ZENLRNHISA-N 276.330 3.604 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N[C@H]1CCc2cc(C#N)ccc21 618730489 GSVILDQPQAQLED-XUWXXGDYSA-N 296.414 3.878 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)CC(C)C)C1 617777037 HANYMORVBAIRRW-CABCVRRESA-N 251.414 3.873 30 20 CHED CSc1cccc(NC(=O)N2CCC[C@](C)(C#N)C2)c1 612290634 HKIAETOHLAWHMQ-OAHLLOKOSA-N 289.404 3.566 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(-n2cccn2)cc1 453312574 VHEQFWDXLOYUTA-AWEZNQCLSA-N 269.392 3.735 30 20 CHED C=CCC1(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)CCCC1 619108069 OOFZBOBHPUFYDB-GFCCVEGCSA-N 289.423 3.525 30 20 CHED N#CCCCOc1cccc(CN2CC3(CCCC3)C2)c1 362325730 UPMSNGVYWQUCFI-UHFFFAOYSA-N 284.403 3.745 30 20 CHED C=CCCCN(C)C(=O)Nc1scnc1C(C)C 455847435 OUHHHDXFSMYKKF-UHFFFAOYSA-N 267.398 3.696 30 20 CHED C=CCCCC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 362871028 KARZZZQCOHPPBG-NSHDSACASA-N 299.823 3.658 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)C1CCCC1 610521658 LMIOLLLZPWVZHQ-DNVCBOLYSA-N 298.430 3.844 30 20 CHED CC[C@H]1Cc2ccccc2CN1CCC(C)(C)C#N 546638965 CARCXBHLZOLQSY-INIZCTEOSA-N 256.393 3.763 30 20 CHED Fc1ccc(C#CCN[C@@H](c2cccs2)C2CC2)cc1 541580734 AAZILNCRXLJEDX-QGZVFWFLSA-N 285.387 3.980 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CC(C)(C)C1 544281010 SFTRLTPBDDFUGZ-LLVKDONJSA-N 289.354 3.597 30 20 CHED C[C@H](NC(=O)NCCCC#N)c1cccc2ccccc12 273248218 XWYMJRQWXMEAAA-ZDUSSCGKSA-N 281.359 3.504 30 20 CHED Cc1ccccc1CN(C(=O)NCC(C)(C)CC#N)C1CC1 459264361 YZQTZLLZVJEHEE-UHFFFAOYSA-N 299.418 3.609 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc(F)c(Cl)c1 459226316 DPFUXAOVXSJPTQ-UHFFFAOYSA-N 283.734 3.540 30 20 CHED COc1cccc([C@H]2C[C@@H](C)CN2CCCCC#N)c1 360465653 GSWFELVBLKXNBG-RHSMWYFYSA-N 272.392 3.772 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2=CC[C@@H](C)CC2)cc1 456047427 LVJOGLOIOAPMNY-CXAGYDPISA-N 282.387 3.676 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 540483351 MAPRIEUGGCCADR-SOUVJXGZSA-N 296.455 3.624 30 20 CHED C=CC[C@@H](C(=O)N(CC=C)C1CC1)c1ccccc1 275001391 DBPCRDAFJQPZQV-MRXNPFEDSA-N 255.361 3.523 30 20 CHED C=CC1CCN(c2nnc(C(C)(C)C)n2CC(=C)C)CC1 549678174 RUCBVKAQTXDKJS-UHFFFAOYSA-N 288.439 3.554 30 20 CHED Cc1ccccc1C[C@@H]1CCCN1c1nccc(C)c1C#N 543136417 SKUAJGMBDLDRHJ-KRWDZBQOSA-N 291.398 3.782 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N[C@@H](CC)CC#N 547294333 MBZRTRRWAUUQKT-CABCVRRESA-N 264.413 3.791 30 20 CHED CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)n[nH]1 277375028 XHMNEFLTSXKOMR-RWMBFGLXSA-N 297.406 3.602 30 20 CHED N#Cc1cccc(CCNC2CC(c3ccccc3)C2)c1 374250606 LNBUJRGNUFTUJH-UHFFFAOYSA-N 276.383 3.637 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 377273624 PTMVJLZVUBUVNS-IBGZPJMESA-N 294.398 3.952 30 20 CHED CC(C)OC1CCN(Cc2ccc(Cl)cc2C#N)CC1 548158152 REHUACITWCUVOC-UHFFFAOYSA-N 292.810 3.601 30 20 CHED C[C@H](C(=O)N1C[C@H](C)C[C@H](C)[C@H]1C)c1cccc(C#N)c1 462348940 ZTJDRWOLGBAMPY-CBBWQLFWSA-N 284.403 3.555 30 20 CHED C=CCCS(=O)(=O)N1c2ccccc2CC[C@H]1CCC 546072588 DXUSIFBITBSXHS-OAHLLOKOSA-N 293.432 3.514 30 20 CHED C=CCc1cc(CNC[C@H]2CCC[C@H]2C)cc(OC)c1O 466422797 AGKRZUGLZZMKOR-CZUORRHYSA-N 289.419 3.655 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 281623975 XEUXLZRSDGAUJW-IAGOWNOFSA-N 287.403 3.521 30 20 CHED C=CCOCCN(C)[C@H](C)c1cccc(C(F)(F)F)c1 555333581 CGOFCCFJULMZMX-GFCCVEGCSA-N 287.325 3.901 30 20 CHED C=CCN(C(=O)N[C@H]1CCCC[C@@H]1CCC)C1CC1 557217913 FFYGQZFYOSZIJA-ZFWWWQNUSA-N 264.413 3.705 30 20 CHED C[C@H](NC(=O)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 371699560 HXPPXBPHUODEDV-ZDUSSCGKSA-N 290.366 3.812 30 20 CHED C=C(C)[C@H](Cc1nc(CC2(C)CCCC2)no1)OCC 289144191 OHAOLWURICVZOY-ZDUSSCGKSA-N 278.396 3.716 30 20 CHED C=CCCN(C)[C@H](C)c1ccc(OC(F)F)cc1 467286686 YKRKTWIXQLXICA-LLVKDONJSA-N 255.308 3.857 30 20 CHED N#Cc1ncccc1NCCCCc1ccc(F)c(F)c1 555134842 BNNDPVDWCJSGBM-UHFFFAOYSA-N 287.313 3.666 30 20 CHED CCCCN(Cc1cc(C#N)n(C)c1)C1CCCCC1 556967426 KIULWGLFBRJZTC-UHFFFAOYSA-N 273.424 3.832 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 285029249 IFAZFSCFISEDJI-KBXCAEBGSA-N 286.419 3.799 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@H]1CCC[C@H]1C 469709685 ZAAPFRKHGWHMTP-GDBMZVCRSA-N 278.440 3.991 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cccc(CC(C)C)c1 552275543 ZEFIYIJENIOLTJ-WBVHZDCISA-N 275.436 3.720 30 20 CHED CN(CCCCC#N)[C@@H]1CCC[C@H]1c1ccccc1 297666916 ZNCWGUTXNOKLAP-DLBZAZTESA-N 256.393 3.948 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 477186527 FCHGFVIZMDDDRM-GJZGRUSLSA-N 286.419 3.761 30 20 CHED CC(C)(CCC#N)CNC(=O)CCCSC(C)(C)C 805280251 DSRQZSQLEMLTEJ-UHFFFAOYSA-N 284.469 3.744 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 298517285 SSAUDIRZZOWTOJ-CYBMUJFWSA-N 287.407 3.996 30 20 CHED C#Cc1ccc(CNCCCCOc2ccc(F)cc2)cc1 809605795 NZNOZVHPGYSNBE-UHFFFAOYSA-N 297.373 3.756 30 20 CHED C=CCOCCCOc1cccc2c(C)cc(C)nc12 478829126 WVFDTSNCRLWCHW-UHFFFAOYSA-N 271.360 3.823 30 20 CHED CC(C)CN(C/C=C\c1ccc(F)c(F)c1)CCC#N 809537736 DDBGPZCOEMXTHI-HYXAFXHYSA-N 278.346 3.850 30 20 CHED CC(F)(F)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 293841702 XUHXRUJMCWRMLB-ZFWWWQNUSA-N 278.346 3.970 30 20 CHED C[C@H](C#N)CNCc1ccc(Oc2cccc(F)c2)cc1 565710447 CDRKBAGLYOAIAM-CYBMUJFWSA-N 284.334 3.867 30 20 CHED C=CCC(CC=C)C(=O)N1CC2(CCC2)[C@@H]1C(C)C 292239790 DMOWSABOJAXBNW-HNNXBMFYSA-N 261.409 3.792 30 20 CHED C=CCCCCNC(=O)[C@@H](C)c1ccc(F)c(F)c1 471708808 HNBZSVWJHJIJNW-NSHDSACASA-N 267.319 3.541 30 20 CHED CC(C)Cc1ccc(C(=O)NCC#Cc2ccccc2)cc1 643646012 UQMPJQNLCOJZFU-UHFFFAOYSA-N 291.394 3.667 30 20 CHED C#C[C@H](C)NCc1ccc(OCc2cccc(F)c2)cc1 809683850 ROTGKAQIUVYEFK-AWEZNQCLSA-N 283.346 3.516 30 20 CHED C=CCCCCCCNC(=O)c1ccn(C2CCCC2)n1 805220314 LOWAWOCHIJTWEW-UHFFFAOYSA-N 289.423 3.865 30 20 CHED C=CCN(CC=C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 470175036 OMKFXBWSTYSFDJ-SDNWHVSQSA-N 272.348 3.672 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 809287580 FQBYPSZEJFDVAX-ZIAGYGMSSA-N 263.425 3.709 30 20 CHED CCC(CC)N(CC)Cc1ccc(O[C@@H](C)C#N)cc1 809788018 LKKBBJHYLSCUBX-AWEZNQCLSA-N 274.408 3.988 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1ccccn1 802039993 CXYPWQZHJSQUJC-BBWFWOEESA-N 290.366 3.624 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2c(F)cccc2F)c1 806558407 BOOYHVMVBXDYIC-BQYQJAHWSA-N 288.249 3.559 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N[C@H](C#N)C(C)C)cc1 470154624 JUFQGABSGFHKIY-RHSMWYFYSA-N 286.419 3.968 30 20 CHED CSCC[C@](C)(C#N)NC(=O)C[C@@H](C)CCC=C(C)C 567272728 SDLKLXPRZSTIHW-GOEBONIOSA-N 296.480 3.911 30 20 CHED C[C@@H]1CCC(=NNC[C@@H]2CCSC2)c2ccccc21 811660907 BEZLDHJTVKDDSB-OLZOCXBDSA-N 274.433 3.631 30 20 CHED C[C@H](NC(=O)N1CCC(CC#N)CC1)[C@H]1CCC[C@@H](C)C1 564296261 NNDDQCVGBHBQAD-YCPHGPKFSA-N 291.439 3.536 30 20 CHED C#CCCCCCC(=O)Nc1ccc([C@@H]2CCOC2)cc1 818732019 ZJXRHWWEDXVOAV-MRXNPFEDSA-N 285.387 3.713 30 20 CHED C=CCC(C)(C)c1noc(-c2scnc2Cl)n1 815706209 WQDKTCLHPYJLCW-UHFFFAOYSA-N 269.757 3.700 30 20 CHED CCCCC[C@H]1CCCN1C(=O)CNc1ccc(C#N)cc1 489265274 CFKGCYUSHPAANS-KRWDZBQOSA-N 299.418 3.541 30 20 CHED CCOc1ccc(NN=C(C)c2ccccc2N(C)C)cc1 814985272 ZKVISDXMADJHAL-UHFFFAOYSA-N 297.402 3.987 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@H](C(=O)O)[C@@H](C)C1 814858746 FQDWWMXKNZJPGK-YDHLFZDLSA-N 282.428 3.812 30 20 CHED Cl/C=C/CON=C1CCOc2ccc(Cl)cc21 811669821 VJBJQRXTYTVMSO-IJUMTXSKSA-N 272.131 3.596 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1c[nH]nc1C 814900748 GRGQPWYWLLEWKE-UHFFFAOYSA-N 270.380 3.852 30 20 CHED CN(Cc1c(F)cccc1F)c1snc(Cl)c1C#N 814929114 KEQDCLOIUWFIPC-UHFFFAOYSA-N 299.733 3.583 30 20 CHED CCC1=C(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CCCO1 819736179 DJMRVQCRSZSCCT-ZDUSSCGKSA-N 298.386 3.552 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C#N)s2)c(C)c1 487265180 AVGLRMRHHYJVDL-CYBMUJFWSA-N 298.411 3.598 30 20 CHED C#Cc1ccccc1CC(=O)O[C@H](C)c1ccc(Cl)cn1 810705362 TZDLFYLONVTHKP-GFCCVEGCSA-N 299.757 3.563 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)CCc1ccccc1F 488877180 NJJFDKYNUAMAJZ-HOCLYGCPSA-N 289.394 3.962 30 20 CHED CCOc1ccc(C(C)=NNc2ccccc2C(=O)O)cc1 812444393 FVWZZEQARQEUSG-UHFFFAOYSA-N 298.342 3.620 30 20 CHED C=CCN(CCC(=O)NC1CCCC1)CC1CCCCC1 484690505 PACNRZINQUXQQB-UHFFFAOYSA-N 292.467 3.504 30 20 CHED COc1cc(C#N)cc(OCCCc2ccccc2OC)c1 486200908 YNDHDZKSDANSBH-UHFFFAOYSA-N 297.354 3.587 30 20 CHED C[C@H]1SCCC1=NNc1ccc(Cl)c(F)c1 814862551 OCOBWGZYABKGPG-SSDOTTSWSA-N 258.749 3.772 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(N(C)CCC)cc1 488819907 RRBDIRYMIIGMLD-INIZCTEOSA-N 286.419 3.714 30 20 CHED C=CC[C@H](C)NCc1cn(-c2ccc(C)cc2)nc1C 655738974 SBJIRVHWPPVVOG-AWEZNQCLSA-N 269.392 3.543 30 20 CHED CC(C)(NCc1ccc(C#N)cc1F)c1ccccc1F 492400076 RBZIKCKQCXYYNJ-UHFFFAOYSA-N 286.325 3.861 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](CC)C1CCOCC1 578089187 CQQCFPRUOBPUQF-ZBFHGGJFSA-N 253.430 3.916 30 20 CHED Cc1ccc2oc(CN[C@H]3CC[C@H](C#N)C3)cc2c1 573383505 DDGYIRCINMDBPA-JSGCOSHPSA-N 254.333 3.523 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C(\C)c1ccco1 826553694 DRUOKANADOBDNZ-WYMLVPIESA-N 288.391 3.861 30 20 CHED N#CCCCCCC(=O)Nc1cc(C#N)c2ccccc2n1 589045369 JHYMWUVZKHVGRR-UHFFFAOYSA-N 292.342 3.519 30 20 CHED CC(=NNc1ccc(C)cc1)c1sc(C)nc1C 726737440 GARVHLVWAHRJFT-UHFFFAOYSA-N 259.378 3.904 30 20 CHED C=CCC[C@H](NC1CC(C)(C(=O)O)C1)c1ccccc1 902327446 VIYXQLCBCKTIIP-CKDBGZEDSA-N 273.376 3.537 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1cnc(Cl)s1 821336845 MAOTUWVLRBCVFY-UHFFFAOYSA-N 289.791 3.621 30 20 CHED C=CCCNC(=O)N(C)Cc1csc2ccccc12 661572545 RCKZCEFTUOHZKX-UHFFFAOYSA-N 274.389 3.619 30 20 CHED CCCC[C@@H](CCC)N[C@H](C(=O)O)c1cccc(C#N)c1 829284508 CPKXVDJEYIMGBK-CVEARBPZSA-N 288.391 3.632 30 20 CHED C=CCC1(N[C@H](C)CSC(C)(C)C)CCOCC1 827147530 SRCXGUWDIBQWPI-CYBMUJFWSA-N 271.470 3.622 30 20 CHED N#CCOc1cccc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)c1 822400743 RRNVWDWIQSRBLM-FVQHAEBGSA-N 298.386 3.744 30 20 CHED C=CCC1(c2nc(Cc3cnccc3C)no2)CCCC1 664984270 CJOUXOZPGVFKQN-UHFFFAOYSA-N 283.375 3.752 30 20 CHED C[C@H](C#N)OCCSCCCCC1(C#N)CCC1 901787246 KHJTWPGYXDJHTO-CYBMUJFWSA-N 266.410 3.512 30 20 CHED CCN(CC(C)(C)C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 589791137 RFRZZEXQXYZHOP-INIZCTEOSA-N 299.418 3.623 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](C)c2c(C)noc2C)c1 733750054 KTWKQSMLYHWOLF-HLGUWXJESA-N 288.347 3.576 30 20 CHED CCO[C@H]1CC(=NNc2cc([N+](=O)[O-])ccc2C)C1(C)C 736430719 FTFLNUARJVOWOY-AWEZNQCLSA-N 291.351 3.506 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2ccc(-c3nnco3)cc2)no1 904051590 XLQATORXNKZKPY-NSHDSACASA-N 296.330 3.541 30 20 CHED C=CC(C)(C)CC(=O)N(CCC#N)c1ccc(F)cc1 900630799 RUCWKJHAGLVOMD-UHFFFAOYSA-N 274.339 3.675 30 20 CHED COCCN(C)N=Cc1ccccc1-c1ccccc1C 834976881 BTSJCGWYRMMNHQ-UHFFFAOYSA-N 282.387 3.574 30 20 CHED C#CCCCCC(=O)N1CC2(CCCC2)[C@@H]1C(C)C 837192749 WVMZEKBOFJQJEC-INIZCTEOSA-N 261.409 3.607 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](CCC(=O)O)c1ccccc1 901654232 XKBGOTIDVFUXCG-SQWLQELKSA-N 275.392 3.783 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](CCC)CCCC)cn1 730304718 PRCLTOMDKHPRQR-HNNXBMFYSA-N 259.349 3.579 30 20 CHED CCc1ccc(C=NN[C@H](C)c2ccccc2)s1 731150912 GGHFIHYPZSESGC-GFCCVEGCSA-N 258.390 3.995 30 20 CHED CCc1ccccc1-c1cccc(C[C@H](C#N)CO)c1 904842253 RTKWOHHIENDWBQ-OAHLLOKOSA-N 265.356 3.591 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2ccccc2F)o1 736240012 FKGBRPSOPMFTEC-UHFFFAOYSA-N 279.698 3.568 30 20 CHED CC(C)(CCNC(=O)CCCCCC#N)c1ccccc1 588154055 QYGUALGTBJSAMR-UHFFFAOYSA-N 286.419 3.945 30 20 CHED Cc1nc2ccccc2cc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839058392 OQRXLJKTYZYYGD-UKRRQHHQSA-N 294.354 3.782 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)c(C)c2)n1 582898034 JHLXKVCDIQRMPC-LJQANCHMSA-N 291.398 3.907 30 20 CHED COc1ccc(C#N)cc1NCc1cc(Cl)ccc1F 500975219 QTOIAVRFDBWSMZ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1cc(C#N)cs1 589205748 IBJJGDILOMZJCX-HNNXBMFYSA-N 271.389 3.598 30 20 CHED CCCC(=NNc1oc(C)nc1C#N)C1CCCC1 834941189 DRXRLKIYUHNEJZ-UHFFFAOYSA-N 260.341 3.613 30 20 CHED C=CCC[C@@H](C(=O)O[C@@H](C)CC(C)(C)O)c1ccccc1 835417887 JRKFGUJHNIHXEK-GOEBONIOSA-N 290.403 3.829 30 20 CHED CCn1nccc1/C=C1/CCc2c(C)ccc(C)c2C1=O 588489315 PFEUNWPCIAIAIS-KAMYIIQDSA-N 280.371 3.732 30 20 CHED CC(C)(C)[C@H](NC(=O)C#CC1CC1)c1ccc(F)cc1F 837464601 JYLZUFKKGSDKIN-MRXNPFEDSA-N 291.341 3.582 30 20 CHED CC(C)[C@H]1N(C(=O)C#Cc2cccs2)CC12CCCC2 837189886 HEIFXHOIFGLAPP-MRXNPFEDSA-N 287.428 3.527 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1ccncn1 834941019 DQPWJCKAZBIVOR-ZDUSSCGKSA-N 282.391 3.675 30 20 CHED C[C@H]1C[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)CC[C@H]1C 835036744 NHKWGHGHLMEVIM-RFGFWPKPSA-N 295.386 3.811 30 20 CHED COc1ccc(CCNN=Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 737440182 XPKKQVKKEVIYNJ-CXAGYDPISA-N 298.386 3.578 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1CCC2(CCCC2)CC1 737989021 IVTPAHQAOIIMHN-BQYQJAHWSA-N 294.398 3.754 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(O)cc1O 918668490 KCCMLQUDKPYOHE-UHFFFAOYSA-N 293.407 3.920 30 20 CHED CCc1ccccc1NN=C(C)c1csc(C)n1 915051877 WZHVARLHKRDNKQ-UHFFFAOYSA-N 259.378 3.850 30 20 CHED CCc1nc(C#N)cc(S[C@@H](C)c2ccc(F)cc2)n1 596094270 LUKOTKCILSDSAW-JTQLQIEISA-N 287.363 3.903 30 20 CHED CC(C)(C)C#CC(=O)N1CCC[C@H]1c1cccc(F)c1 837356418 XYDNQKZDKMSXNB-HNNXBMFYSA-N 273.351 3.539 30 20 CHED C[C@H]1CCc2sc(NC(=O)[C@H]3C[C@H]3C)c(C#N)c2[C@H]1C 591003946 PZERKEQNWKTQJW-VLEAKVRGSA-N 288.416 3.900 30 20 CHED C=CCN(C(=O)CCCOc1cccc(C)c1)C(C)C 914683666 WXJASPMFOWLQFS-UHFFFAOYSA-N 275.392 3.577 30 20 CHED C[C@@H](C(=O)N1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 593591859 BBUYONZLHYLUAG-GFCCVEGCSA-N 290.794 3.596 30 20 CHED CC(=NNc1ccccn1)c1ccc(N2CCCCC2)cc1 916273626 OGDYALFPFMLWPP-UHFFFAOYSA-N 294.402 3.908 30 20 CHED CC(C)CCCCC(=O)N(C)c1ccc(C#N)cc1F 590982179 XXBGIYLKGGQJRF-UHFFFAOYSA-N 276.355 3.877 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CCC(N)CC1 843271684 DFHDRZXKSLREOG-KHPPLWFESA-N 280.456 3.633 30 20 CHED C#C[C@H](OC(=O)CC[C@H](C)SC)c1ccc(F)cc1 842408338 UARWHKNMOCGILL-FZMZJTMJSA-N 280.364 3.575 30 20 CHED Cc1ccccc1C1(C(=O)N2CCC[C@@H](CC#N)C2)CCC1 597904878 LSCHTOKPIDMTBW-INIZCTEOSA-N 296.414 3.569 30 20 CHED Cc1cnc2c(NC(=O)C#CC3CC3)cccc2c1Cl 912751280 CBONXXAFKOPNRN-UHFFFAOYSA-N 284.746 3.549 30 20 CHED C=CCC[C@@H](NCc1csc(N(C)C)n1)c1ccco1 671749721 LQAHMNIJQOZPMB-CYBMUJFWSA-N 291.420 3.599 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc2oc(C(C)C)nc2c1 844540831 KLNPKAYHNVJFGO-JTQLQIEISA-N 289.335 3.579 30 20 CHED CCn1nncc1/C=C1\CCc2ccc(C(C)C)cc2C1=O 841485288 JHEQINLYRNHDJY-OQLLNIDSSA-N 295.386 3.634 30 20 CHED C=CCCSCCNC(=O)c1cc2cccc(F)c2o1 597968517 WRIPAIHPFBACRQ-UHFFFAOYSA-N 293.363 3.611 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCc1ccoc1 595091161 VYMHRRWGTJIMEW-SFHVURJKSA-N 280.371 3.751 30 20 CHED CC(C)c1nc(CN[C@H]2CCCC[C@@H]2C#N)c2ccccn12 597195483 JAGNCAZODQKQFU-CABCVRRESA-N 296.418 3.630 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H]1CCSC1 743691510 LUPXMIVWGQKJSL-CQSZACIVSA-N 286.485 3.884 30 20 CHED COc1ccc(O)c([C@@H](C)NC2CCC(C)(C#N)CC2)c1 845970813 CGKYQKCHSXHMPC-SFYCDEOASA-N 288.391 3.524 30 20 CHED N#CCSCCCS[C@@H]1CCc2ccccc2C1 594907807 IDZSLCFQUHQVRZ-OAHLLOKOSA-N 277.458 3.924 30 20 CHED Cc1cccc(C=NNc2oc(C(C)(C)C)nc2C#N)c1 746498187 SCEOAWLTKVOSQE-UHFFFAOYSA-N 282.347 3.598 30 20 CHED C[C@@H]1CCCCC1=NNC(=S)N[C@H]1CCCC[C@H]1C 916277240 ALONMRYVKRVFSQ-UPJWGTAASA-N 281.469 3.595 30 20 CHED c1ccc2ncc(CNN=C3CCC[C@@H]4C[C@H]34)cc2c1 841629629 ZHPQCTJHAQYRBK-HIFRSBDPSA-N 265.360 3.500 30 20 CHED CCCN(Cc1ccccc1F)[C@@H]1CC[C@H](C#N)C1 595781182 ACBGQRKTQSMQDB-DZGCQCFKSA-N 260.356 3.730 30 20 CHED CC(C)(C#N)COC(=O)c1csc(C2CCCCC2)n1 842333546 ZSIAVNYZBODCQN-UHFFFAOYSA-N 292.404 3.897 30 20 CHED CC(=NNc1cccc(F)n1)[C@@H]1C[C@H]1c1cccs1 841638537 VUXASKJKPQQNMG-WDEREUQCSA-N 275.352 3.874 30 20 CHED COc1cc(C)nc(NN=C(C)CCc2ccc(C)cc2)n1 747634297 CUPFSIUWBRMGQV-UHFFFAOYSA-N 298.390 3.523 30 20 CHED CC(=NNc1cc(C)nc(C)n1)[C@@H]1C[C@H]1c1cccs1 841620241 UKIPGNUVNDSCSQ-QWHCGFSZSA-N 286.404 3.746 30 20 CHED CN(C(=O)/C=C\Sc1ccccc1)c1cccc(C#N)c1 920346220 POASUIXSAGKZLF-KHPPLWFESA-N 294.379 3.827 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(O)c(C(C)C)c1 922380579 QNNZOUBXMUBWRO-KRWDZBQOSA-N 291.391 3.683 30 20 CHED COCC[C@@H](C)C/N=C/c1cc(Cl)cc(Cl)c1O 840712189 XBHZFEKUTLJUMU-PTPOTIKZSA-N 290.190 3.791 30 20 CHED CC[C@@H](CC#N)OC(=O)C1(c2ccc(C)cc2)CCC1 842771475 KFLGOYYJPZIARU-HNNXBMFYSA-N 271.360 3.652 30 20 CHED C=C1CCN(C(=O)Nc2cccc(Cl)c2N(C)C)CC1 929746682 FYLRFSZCLGEWAC-UHFFFAOYSA-N 293.798 3.590 30 20 CHED C(=NNc1ccccn1)c1cnc(-c2cccs2)s1 751521777 LVTDTVTXBQTMIB-UHFFFAOYSA-N 286.385 3.713 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](c1ccccn1)C(C)C 758498732 MOZBPHNUDGHCHO-INIZCTEOSA-N 272.392 3.663 30 20 CHED CCOc1cccc(/C=C/C(=O)c2cc(OC)ccc2O)c1 757468983 XLDGFJLDTXEDHD-VQHVLOKHSA-N 298.338 3.696 30 20 CHED C#CCCCCCC(=O)Nc1nccc2ccccc12 854831351 NAXBARJZZGXYQS-UHFFFAOYSA-N 266.344 3.757 30 20 CHED C=CCCONC(=O)C1(Sc2ccccc2)CCCC1 856031785 BBJTVEJZNWZOMK-UHFFFAOYSA-N 291.416 3.715 30 20 CHED C#C[C@@H](CC)NC(=O)N(C)Cc1c(CC)oc2ccccc12 753266267 ZWROZMPPSPKEQW-ZDUSSCGKSA-N 298.386 3.548 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NOCc2ccccc2)c1 755631369 HCOWTIMDNQGUHN-UHFFFAOYSA-N 291.354 3.936 30 20 CHED C=C[C@H](CC)CC(=O)NCc1ccc(OC(F)F)cc1 929389044 KSBYPZMBAHNJSH-LLVKDONJSA-N 283.318 3.507 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)OCc2ccc(C#N)cc2)C1 750244977 XPUSXRSACQUCSX-XJKSGUPXSA-N 271.360 3.818 30 20 CHED C#CC[C@H](Nc1ncc(C#N)cc1Cl)c1ccccc1 756954280 WBZYEPJKVWQMGI-HNNXBMFYSA-N 281.746 3.783 30 20 CHED CC(C)(C)c1ccc(COC(=O)c2ccc(C#N)[nH]2)cc1 752479562 RLWGESJQNOLOSZ-UHFFFAOYSA-N 282.343 3.541 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1ccc(C(F)F)nc1 850425277 RTUZCUKLIRZGTN-LLVKDONJSA-N 287.313 3.742 30 20 CHED Clc1cc(CON=CC2CC2)c(Cl)s1 853735967 GSCREIKIPCAAGN-UHFFFAOYSA-N 250.150 3.967 30 20 CHED C#CCCCCNCc1cc(OC)cc(C(C)(C)C)c1O 850186696 SEKNUEUIFJMPJV-UHFFFAOYSA-N 289.419 3.591 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(N(C)C(C)=O)cc1 858497676 YRPWMMJGJPDRBV-QGZVFWFLSA-N 288.435 3.894 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1cc2ccccc2o1 851208962 AGLXGWYGNGRFBJ-LBPRGKRZSA-N 285.343 3.847 30 20 CHED Fc1cccc(C=NNC2CCCCC2)c1OC(F)F 853337316 ZBRJBTWKSDPBEQ-UHFFFAOYSA-N 286.297 3.683 30 20 CHED COCc1cccc(OC(=O)CC2(C#N)CCCCC2)c1 850839197 NZMVTBACIPMMPZ-UHFFFAOYSA-N 287.359 3.603 30 20 CHED C[C@H](C#N)Oc1ccc(CNCC23CCC(CC2)C3)cc1 756990898 VKUDTRTWRAWATP-KSTDHSDQSA-N 284.403 3.647 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(Cl)nc2)c1 759665580 PKPMZPZHDVUEPK-UHFFFAOYSA-N 263.703 3.629 30 20 CHED N#CC1(CCCCN2CC[C@@H](c3cccnc3)C2)CCC1 930813658 CBLSHYNNFHKINO-QGZVFWFLSA-N 283.419 3.735 30 20 CHED CC#CCCNC(=O)Nc1cccc(COC(C)(C)C)c1 933213277 LYUCOUWOPUBKEW-UHFFFAOYSA-N 288.391 3.537 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cccc(Cl)c1O 768835797 QIOGYTKPSZETCN-UHFFFAOYSA-N 295.766 3.922 30 20 CHED C#CCC(C)(C)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 767078193 OJCFIFODAINJAP-UHFFFAOYSA-N 296.414 3.759 30 20 CHED CCC(=NNc1ncc(F)cn1)c1ccc(Cl)s1 760253045 DOGYUWBXUFGIBW-UHFFFAOYSA-N 284.747 3.557 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H](F)c1ccccc1 769284633 VAMBMYUXMOHHFY-INIZCTEOSA-N 299.301 3.573 30 20 CHED C#CCCc1noc(/C(C)=C\c2cccc(Cl)c2)n1 762012747 ZOGFHGIIFKAYKU-LUAWRHEFSA-N 272.735 3.849 30 20 CHED C#CCCc1noc([C@H]2C[C@H]2c2cccc(Cl)c2)n1 762011590 MYQJMPOKMMNHGJ-STQMWFEESA-N 272.735 3.560 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(C)cc1 766772535 TUTWYNHMKDRVCM-CMDGGOBGSA-N 251.329 3.849 30 20 CHED CC(=NNCc1ccccc1Cl)c1cnc(C)s1 761260699 GQRCVRIVTFPRPT-UHFFFAOYSA-N 279.796 3.619 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1F)CCO2 763102338 WZOVQTHIRIHLDU-JLHYYAGUSA-N 298.313 3.883 30 20 CHED COc1cc(F)ccc1NN=Cc1cc(F)ccc1C 761897575 VYWILDBJDYMLFD-UHFFFAOYSA-N 276.286 3.728 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cscn1 767892622 FFPDXSFZTAMVJU-UHFFFAOYSA-N 251.742 3.633 30 20 CHED C#CCCc1noc(C[C@H](c2ccccc2)C(F)(F)F)n1 762018044 UHNFFDPHGXXGBL-GFCCVEGCSA-N 294.276 3.524 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCc1cccc(Cl)c1 775053559 MKOCEGPFTCUSOI-HJWRWDBZSA-N 297.741 3.968 30 20 CHED C[C@@H](C#N)COC(=O)c1ccccc1NCc1ccccc1 776096477 BDDAENGLJFVODH-AWEZNQCLSA-N 294.354 3.615 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1cncn1C(C)C)C2=O 1119598170 WQNBRNXINBOSER-VGOFMYFVSA-N 296.370 3.740 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(F)cc1C 776190776 BNSIPDPDFUPRSJ-ALCCZGGFSA-N 269.319 3.988 30 20 CHED C=C(C)CCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 775641985 SNZJMNPYIDHQPB-LSDHHAIUSA-N 296.455 3.578 30 20 CHED CCCn1c(C=NOCCC(F)(F)F)nc2ccccc21 777456328 XIRMBWKUGVPTMQ-UHFFFAOYSA-N 299.296 3.749 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(Cl)c1OC 888392749 AEMLLZGFWNLOGN-UHFFFAOYSA-N 267.756 3.889 30 20 CHED COC(=O)c1ccccc1NN=C(C)c1sccc1C 776188127 IYVZFWBTGLLDGU-UHFFFAOYSA-N 288.372 3.679 30 20 CHED C#CCCCCCC(=O)NCc1ccc([C@H]2C[C@H]2C)o1 779855881 CPJAFLKAXUAPMZ-HIFRSBDPSA-N 273.376 3.603 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccccc1F 778533753 JKECNJGPALVLDC-UHFFFAOYSA-N 287.294 3.960 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)CCc1ccc(C#N)cc1 1129318518 XQSSAOQYMPGYKU-ROUUACIJSA-N 298.430 3.823 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccc(CC#N)cc2)[C@H](C)C1 1126375216 LNFHJSWBAUMDFE-XJKCOSOUSA-N 271.360 3.734 30 20 CHED CO[C@@H](C(C)=NNc1ccc(Cl)nc1)c1ccccc1 782237717 BLJHUEDQTDCOJY-HNNXBMFYSA-N 289.766 3.911 30 20 CHED C=C1CCC(C(=O)N(C)c2ccc(OC)c(F)c2)CC1 889483617 VJTSRSYIGNMSHL-UHFFFAOYSA-N 277.339 3.544 30 20 CHED COc1ccc(C=NNc2cccc(C(F)(F)F)c2)cn1 780188815 YBWCKAYCLQRKFQ-UHFFFAOYSA-N 295.264 3.555 30 20 CHED C=CCCC(=O)Oc1ccc(-n2ncc3ccccc32)cc1 783476088 KVNFWXZVBNFFJD-UHFFFAOYSA-N 292.338 3.897 30 20 CHED Fc1cccc(NN=Cc2cc3ccccc3[nH]2)c1 788425085 DTNDYNZFYAIRFL-UHFFFAOYSA-N 253.280 3.753 30 20 CHED C#CCNC(=S)N(CC(C)C)[C@@H](C)c1ccccc1C 789358972 NQNQCTNSUJETDU-HNNXBMFYSA-N 288.460 3.522 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cnn(C)c1-c1ccccc1 894446735 SBPPQGRHHLLEQY-ZDUSSCGKSA-N 282.391 3.827 30 20 CHED CCN(CCc1ccccn1)Cc1ccc(C#N)cc1Cl 784342229 QKICNOPKBJBCKG-UHFFFAOYSA-N 299.805 3.671 30 20 CHED C=C(C)[C@@H](NC(=O)[C@@H](F)C(C)C)c1ccc(F)c(F)c1 784165257 JTMBJEJTAWMPCT-UONOGXRCSA-N 285.309 3.692 30 20 CHED COc1ccc(NCc2cccc3c2NCCC3)cc1C#N 895468308 SGKIEXXTPAHTSS-UHFFFAOYSA-N 293.370 3.537 30 20 CHED Cc1cc(C(=O)OCCCC(C)(C)C#N)c(C)s1 782534776 WLHQEVDIZDSOEA-UHFFFAOYSA-N 265.378 3.852 30 20 CHED CCCSC[C@H](C)Nc1ccccc1O[C@@H](C)C#N 893473992 ZLUJSRKZMKGHRV-STQMWFEESA-N 278.421 3.921 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccco1)Cc1ccccc1O 787770235 PDFQZVMZRNCREY-HNNXBMFYSA-N 298.386 3.927 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(C#N)cc1Cl 784243690 MZXNXUXCAJCAOT-MNOVXSKESA-N 279.767 3.937 30 20 CHED Cc1ccnc(NN=Cc2sccc2Cl)c1 782243501 XQWWYLKSEMWAAJ-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C#CCC1(C(=O)NCc2cccc(C)c2)CCCCC1 788143937 NVCZKIBQEMTJSF-UHFFFAOYSA-N 269.388 3.585 30 20 CHED COc1cccc(NC(=O)Nc2scc(C)c2C#N)c1 1202268293 ARZOWDCYQARENG-UHFFFAOYSA-N 287.344 3.581 30 20 CHED N#Cc1ccc(COC(=O)/C=C\c2cccc(F)c2)c(F)c1 794639699 MQADTYBCFDOTFB-ALCCZGGFSA-N 299.276 3.593 30 20 CHED C=CCNN=C(C)c1cc(F)c(Cl)cc1Cl 794999897 RTKBXDZUESDCKH-UHFFFAOYSA-N 261.127 3.632 30 20 CHED CCc1cccc2c1OC/C(=C/c1cccs1)C2=O 794723676 JAUMIQYKLIBUNZ-XFXZXTDPSA-N 270.353 3.969 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cnn(C3CCC3)c2)c1 899364090 WZWFLKPRJBFQSU-VURMDHGXSA-N 282.343 3.518 30 20 CHED CC[C@@H](C)CON=Cc1csc(C(C)(C)C)n1 793159724 QVJORHDDPCCHIH-SNVBAGLBSA-N 254.399 3.837 30 20 CHED Clc1cccc(NN=C2CCCc3ccccc32)n1 793175491 WHXICPXXGJSTTL-UHFFFAOYSA-N 271.751 3.888 30 20 CHED CCCCCCCCC(=O)OC[C@H]1CCO[C@@H]1C 793421048 FLSWJXARYDXSIC-ZIAGYGMSSA-N 256.386 3.705 30 20 CHED O=C(O)c1ccc(NN=Cc2ccsc2Cl)cc1 790136678 RWRYIWVAGQIIJG-UHFFFAOYSA-N 280.736 3.546 30 20 CHED COCCCON=C(C)c1cc(Cl)ccc1Cl 795048812 SPZZVUPGZHENDZ-UHFFFAOYSA-N 276.163 3.771 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(C)c(C)o2)c1OC 799895345 AKWHWQDMBVNBIP-HJWRWDBZSA-N 286.327 3.810 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H](F)CC1CCCCC1 796903681 FMWQBKUQCZSIKX-BBRMVZONSA-N 282.403 3.739 30 20 CHED C=CC[C@@H](CC)NC(=O)c1nc(-c2cccs2)oc1C 798554964 WKKJFVDRVORXRA-LLVKDONJSA-N 290.388 3.796 30 20 CHED CCCCCCCCOC(=O)c1cn2c(n1)CCCC2 799586351 KBKJPKXBOKGCRF-UHFFFAOYSA-N 278.396 3.737 30 20 CHED CCCCCCCCC[S@](=O)Cc1nccc(C)n1 790138967 QPWNXVFXWHJXJL-IBGZPJMESA-N 282.453 3.784 30 20 CHED Cc1ccc([C@@H](C)NCCCC2(C#N)CCOCC2)s1 799165784 OBHROJDHKADALD-CQSZACIVSA-N 292.448 3.808 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccsc2Cl)c1 790141668 RGGBUDCWBGVYSB-UHFFFAOYSA-N 281.724 3.756 30 20 CHED CC(C)Cc1ccc(/C=C2/CCc3nn(C)cc3C2=O)cc1 794964557 DSMDGXPRKZWAQT-WJDWOHSUSA-N 294.398 3.831 30 20 CHED CC[C@H](C#N)C(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 1156316465 YCXSHHCSSZQIOF-BFHYXJOUSA-N 264.413 3.505 30 20 CHED N#Cc1ccc(NCc2cc(F)c(F)cc2F)cc1 83451370 NWODNEQLOXITGB-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CSc1cccc(NC(=O)c2ccccc2CC#N)c1 58248285 FYDPNUQXEMLJTH-UHFFFAOYSA-N 282.368 3.727 30 20 CHED Fc1ccc(CNN=C/C=C/c2ccccc2)cc1 1319751980 PZPPLOUEXDXUKH-DEVRPUBGSA-N 254.308 3.615 30 20 CHED CCCC(CCC)C(=O)Nc1cc(C#N)ccc1OC 510611206 AIAUHOILBARLMT-UHFFFAOYSA-N 274.364 3.722 30 20 CHED CCCCCCCOc1ccc(C=O)c(OC)c1 1321681676 FUUGTKLIRMTKBM-UHFFFAOYSA-N 250.338 3.857 30 20 CHED CC#CCCCc1nnc(-c2cc3c(s2)CCC3)o1 1326971691 XZDSEJBURXNXAL-UHFFFAOYSA-N 272.373 3.633 30 20 CHED C[C@H](C(=O)OCCCC(C)(C)C#N)c1ccc(F)cc1F 1326587797 VLJCSEHBSYQHMD-NSHDSACASA-N 295.329 3.941 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccccc1SCC 1320306485 UNCCIDOLKQDQGT-STQMWFEESA-N 265.422 3.650 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)OCC 1328216297 TVOKDQVNBUPUBB-GXTWGEPZSA-N 287.359 3.591 30 20 CHED C=CCCCCCCN[C@@H]1CC[C@H](C)C[C@H]1n1cncn1 1326287451 UARUBSRFDMDYFY-GVDBMIGSSA-N 290.455 3.734 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 192149382 QKXNEESEQLBQKA-CYBMUJFWSA-N 268.335 3.857 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H](C)C(C)(C)C2)c1C#N 1186061339 GDZKNSUGLYULPY-JTQLQIEISA-N 277.799 3.788 30 20 CHED N#CC[C@H]1CCCN(Cc2cscc2Br)C1 595623366 OFQQFCRDBHSSCG-SNVBAGLBSA-N 299.237 3.636 30 20 CHED Cc1nc(C#N)cc(N[C@H](c2cccc(F)c2)C(C)(C)C)n1 1185801855 NYSWAVBTHMJXJO-MRXNPFEDSA-N 298.365 3.995 30 20 CHED C=CCCC(C)(C)NCc1occc1Br 717909906 YZWRHILHRTXZQM-UHFFFAOYSA-N 272.186 3.877 30 20 CHED C=CC[C@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 661378247 BCCFYLKOLUHYRV-ZDUSSCGKSA-N 272.348 3.723 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1sccc1C 1251931140 JDGCAXFNUKHICF-UHFFFAOYSA-N 288.420 3.980 30 20 CHED C[C@@H]1[C@@H](CNc2cccc(CC#N)n2)CCC[C@H]1C 1256388081 KTEYEPZCGFOMBX-HZSPNIEDSA-N 257.381 3.632 30 20 CHED Cc1ccccc1[C@H](C)C(=O)O[C@H](C#N)C(C)(C)C 1343174565 NDRJNZMSIKWIIW-GXTWGEPZSA-N 259.349 3.580 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C1(CC(C)C)CCCC1 1349713793 KRVJSHHGNGFTKE-CQSZACIVSA-N 287.407 3.686 30 20 CHED C#CC[C@H](CC)c1nnc(N2CCC[C@@H]2CCC)n1CC 1340701916 NOYIHVOMTQCSEI-GJZGRUSLSA-N 288.439 3.584 30 20 CHED C=CC[C@@H]1CCCC[C@H]1Nc1cnn(Cc2cccnc2)c1 1346858400 HJIMLHSKPIVDHS-SJLPKXTDSA-N 296.418 3.873 30 20 CHED C[C@H]1CCC[C@]1(C)c1nnc(-c2cccc(C#N)c2)o1 1261575448 ILNQXKPZYMHIKR-ZBEGNZNMSA-N 267.332 3.686 30 20 CHED Cc1ccc([C@@H](C)NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1264438621 VMMJZSMRTONHER-QAPCUYQASA-N 292.382 3.870 30 20 CHED C#Cc1ccc(NC2CCC3(CCCO3)CC2)cc1 1262379076 RJKZPIJIPNEQAF-UHFFFAOYSA-N 255.361 3.572 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cccn1C1CC1 1347782573 QGEFGOCIWXRMRK-CYBMUJFWSA-N 281.359 3.726 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1C 1352714476 LLIMVWRBQMNTRB-ZWKOTPCHSA-N 290.366 3.917 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H](C)c1ccccc1 1355755055 SKSWGANONFVEHM-CQSZACIVSA-N 278.355 3.700 30 20 CHED COc1ccc2c(c1)O/C(=C/c1sccc1C)C2=O 535826 MVUPMRNRHOXJLE-MDWZMJQESA-N 272.325 3.681 30 20 CHED CCc1cccc2c1N(C(=O)c1ccc(C#N)s1)CCC2 1360291733 QCZIZRPVQKGJGR-UHFFFAOYSA-N 296.395 3.775 30 20 CHED N#Cc1ccccc1OCc1cc(F)ccc1OC(F)F 1458833527 GMKLJEPQJQSHQP-UHFFFAOYSA-N 293.244 3.878 30 20 CHED Cc1cc(Nc2ccnc(C#N)c2)nn1C1CCCCC1 1458411103 ABBZHRGZVOGPJO-UHFFFAOYSA-N 281.363 3.707 30 20 CHED C=C(CC(C)C)C(=O)N1CC(C)(C)[C@@H]1c1cccnc1 1520191013 HZSSFXLZUISQJQ-HNNXBMFYSA-N 272.392 3.593 30 20 CHED N#Cc1sccc1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 1535029315 LXDKAPDNJKCJLT-UKRRQHHQSA-N 296.395 3.686 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1 1466839479 JVRZNFHGTIKMSP-RDJZCZTQSA-N 297.402 3.815 30 20 CHED Cc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)oc1C(=O)O 1610446411 PJHSCMJJZGNDKS-VXGBXAGGSA-N 298.342 3.570 30 20 CHED C[C@H](CCC#N)CN(C)[C@H](C)Cc1cccs1 1621149343 JOKAZRSAXAOOLS-CHWSQXEVSA-N 250.411 3.551 30 20 CHED CCC[C@@H](C)c1cc(NC(=O)c2cc(C#N)ccc2C)n[nH]1 1557201287 WCOAKZKEKOGZTQ-GFCCVEGCSA-N 296.374 3.746 30 20 CHED N#Cc1nccnc1N[C@H](C1CCCCC1)C1CCC1 1559220654 JWIASWVNEQSZKS-OAHLLOKOSA-N 270.380 3.509 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1 1622712262 YRGCZDRRUGRWNT-GOEBONIOSA-N 283.375 3.649 30 20 CHED Cc1cc(NCC(C)(C)c2ccccc2C)ncc1C#N 1639399431 FMGFBIMKXHCDAX-UHFFFAOYSA-N 279.387 3.960 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(F)ccc1N(C)C 1560657378 LDFUCWQGWVVFNK-UHFFFAOYSA-N 291.414 3.653 30 20 CHED C[C@@H](C#N)N(C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 1586857083 NOGSKAWWNXRBEZ-HZSPNIEDSA-N 276.424 3.742 30 20 CHED CCO[C@@H]1C[C@H](N(C)c2ccnc(C#N)c2)C12CCCCC2 1655208465 LJBSAWIFPPCLGF-DLBZAZTESA-N 299.418 3.517 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)Cc1cccc(C#N)c1 1583878367 SWUWVRLEFQUJKQ-ZWKOTPCHSA-N 298.430 3.823 30 20 CHED C=CCC[C@@H](N[C@H]1CC[C@@H](CC(=O)O)C1)c1ccco1 1588778624 HDIPPYINHDITGY-HZSPNIEDSA-N 277.364 3.520 30 20 CHED Cc1cccc(C)c1CN(C)Cc1ccc(F)c(C#N)c1 1660373674 UYVCQENYLVGDNO-UHFFFAOYSA-N 282.362 3.946 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C#N)c(F)cc1F 1673966841 CTFFVXDFZURGLC-RNCFNFMXSA-N 293.317 3.537 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1ccc(C(=O)O)nc1 1776069627 UUZCEDYAOAZUDK-UHFFFAOYSA-N 297.358 3.509 30 20 CHED C=C[C@H](CCC(=O)O)NCc1cccc(-c2ccccc2)c1 1776149188 QATQOMBXDUCEQZ-GOSISDBHSA-N 295.382 3.863 30 20 CHED C=CC1(CC(=O)Nc2ccc(C(=O)O)cc2)CCCCC1 1776150598 GPQSMIVHZQPUST-UHFFFAOYSA-N 287.359 3.850 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cnc(C(C)C)s1 161636252 BQNUNTDPNIWXFD-UHFFFAOYSA-N 293.436 3.668 30 20 CHED N#C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)C1CCCCC1 162297443 NPTNWYKNIGLOMO-QGZVFWFLSA-N 296.414 3.598 30 20 CHED N#Cc1cc(Br)ccc1N[C@@H]1CC=CCC1 163528657 QBMVCNMLTFZZCO-GFCCVEGCSA-N 277.165 3.841 30 20 CHED C=C(C)COCCN[C@H]1CCCc2c1[nH]c1ccccc21 163538498 GVCLWVYKIZQTKC-KRWDZBQOSA-N 284.403 3.728 30 20 CHED Cc1csc(CNc2ccc(OC(C)C)c(C#N)c2)n1 151986166 AQOJRNCYKXMYQK-UHFFFAOYSA-N 287.388 3.723 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc(C)s2)CC1 152933640 KWIGNEMYMUMOBG-AWEZNQCLSA-N 278.465 3.748 30 20 CHED C=CCCOCCNC(=O)[C@@H](C)c1ccc2ccccc2c1 155276274 BUQGQRUJZJIQFG-HNNXBMFYSA-N 297.398 3.652 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 154166249 KBCDHGBAESNEHB-GDPRMGEGSA-N 284.186 3.788 30 20 CHED Cc1ccsc1C(=O)Nc1ccc(OCCC#N)cc1 154768559 JUVIMGCNDMTDRD-UHFFFAOYSA-N 286.356 3.601 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCCn1cccc1 159215427 XFEGTPZSXJCVPJ-UHFFFAOYSA-N 296.414 3.526 30 20 CHED N#Cc1sc(NCCc2ccccc2Cl)nc1Cl 804387188 RWSMGEMIPOWFPV-UHFFFAOYSA-N 298.198 3.976 30 20 CHED Cc1cc(C)cc(NCc2cccc(C#N)c2F)c1 223729896 XPEHNEWZVOTTGX-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1ccc(C#N)cc1OC[C@H](O)c1ccc(Cl)cc1 155273077 UIQPPHLOLLCJFS-HNNXBMFYSA-N 287.746 3.633 30 20 CHED CC1CCC(CNCc2ccc(C#N)cc2F)CC1 63145432 RXQAWGBNLBMMGI-UHFFFAOYSA-N 260.356 3.613 30 20 CHED CCS[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1C 300667579 PTRDLRZCBDGDJR-HOTGVXAUSA-N 274.433 3.631 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCCC2(CC2)C1 302229764 BMBLFMPRMZJAKC-UHFFFAOYSA-N 280.293 3.957 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccccc2Br)C1 308857072 UEDFZIKSFFAHHP-UWVGGRQHSA-N 265.154 3.553 30 20 CHED N#Cc1ccc(CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c(Cl)c1 313361345 OKCCBZPYLIPWOC-DARAHFNDSA-N 286.806 3.690 30 20 CHED Cc1ccsc1[C@@H](C)NCCc1cccc(C#N)c1 467437402 HSSOLTXSRICIRV-CYBMUJFWSA-N 270.401 3.822 30 20 CHED CC[C@@H](C)[C@@H](/C(O)=N/c1nc(C)n[nH]1)c1ccccc1 83683139 URNUANJQFONHRJ-ZWNOBZJWSA-N 272.352 3.531 30 20 CHED N#CCC1CCN(Cc2cccc(Br)c2)CC1 334891113 XOZJDCVVKGKWFZ-UHFFFAOYSA-N 293.208 3.575 30 20 CHED N#Cc1cnc(N(Cc2ccccc2)C2CC2)c(Cl)c1 358889201 ZSLGXIOQLXOMOL-UHFFFAOYSA-N 283.762 3.776 30 20 CHED C=CCCSCCNCc1ccccc1N1CCCC1 710184077 MBSRKHWSANYTGT-UHFFFAOYSA-N 290.476 3.686 30 20 CHED C#Cc1cccc(NCc2cccc(C(=O)O)c2Cl)c1 381480189 AFKLZZMRLNRNLW-UHFFFAOYSA-N 285.730 3.632 30 20 CHED CN(c1nc(C(F)(F)F)ccc1C#N)C1CC(C)(C)C1 395397556 DUHKPJOJOAQZQY-UHFFFAOYSA-N 283.297 3.597 30 20 CHED C=CC[C@H](C)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 788735427 AGSSMQIATLLFSI-WMLDXEAASA-N 296.455 3.578 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@H](C)c2ccccc2F)n1 109038234 UAAAVLXQMHWPBP-ZYHUDNBSSA-N 288.347 3.571 30 20 CHED C[C@@H]1Cc2ccccc2CN1c1cccc(F)c1C#N 463470432 QBAIQSXBOVUVBE-GFCCVEGCSA-N 266.319 3.649 30 20 CHED CSc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccn1 175771298 WPFKISZTLLLASQ-NSHDSACASA-N 298.367 3.593 30 20 CHED CC[C@H](C#N)OC(=O)CCCOc1cccc2ccccc12 175996142 MDZMXYRXEGUOCZ-OAHLLOKOSA-N 297.354 3.844 30 20 CHED N#Cc1cc(NCc2cccnc2Cl)ccc1Cl 177108445 JBJIKXADMFPQIY-UHFFFAOYSA-N 278.142 3.872 30 20 CHED N#CCCN(CC1CC1)Cn1ccc(=S)c2ccccc21 109316474 SDXWZHFXHJJNCX-UHFFFAOYSA-N 297.427 3.954 30 20 CHED Cc1ccc(OCC(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 175796996 YNWWGTYOFWYLBY-CQSZACIVSA-N 295.338 3.550 30 20 CHED C=CCN(C(=O)CCC(F)(F)F)c1ccccc1 175109230 LBGFLALEMBIZNF-UHFFFAOYSA-N 257.255 3.548 30 20 CHED C=C(C)COc1cccc(NC(=O)CCc2ccco2)c1 66463636 CBVUZJGROCNJLI-UHFFFAOYSA-N 285.343 3.806 30 20 CHED CC(C)N(CCCSCC#N)C1CCCCC1 174133789 NBSSNFZXEZDNRS-UHFFFAOYSA-N 254.443 3.676 30 20 CHED Cc1cccc2c(CCC(=O)O[C@@H]3CC[C@@H](C#N)C3)c[nH]c12 179872689 XPLQXHQSXLXPLX-UKRRQHHQSA-N 296.370 3.644 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Cl)c(N)c(Cl)c1 119003335 LAAOUAVLRNLUBI-UHFFFAOYSA-N 287.190 3.614 30 20 CHED C[C@H](CCNc1c(F)cc(C#N)cc1F)N1CCCCC1 302127486 FZECDKMOHBNQEW-GFCCVEGCSA-N 293.361 3.513 30 20 CHED C/C(=C\C(=O)O[C@H](C)c1ccc(C#N)cc1)C1CC1 175786212 WUDYTHNRSFRNSL-LMMOQWNQSA-N 255.317 3.519 30 20 CHED C=CCCCC(=O)N1CC(C)(C)Oc2ccccc21 178763556 PDXMBJGQUWKLSL-UHFFFAOYSA-N 259.349 3.547 30 20 CHED C=CCCC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 176178780 OYCCJLHWYJFOIL-BZNIZROVSA-N 261.340 3.532 30 20 CHED Cc1cc(C)c(C#N)c(N2CCCc3ccccc3C2)n1 62946031 HTZCUXZQAJTRND-UHFFFAOYSA-N 277.371 3.523 30 20 CHED C=CCOc1ccc(CN2CCCO[C@@H](C)C2)cc1Cl 179394011 UGKQNQFORKFCRE-ZDUSSCGKSA-N 295.810 3.516 30 20 CHED CC(C)[C@H]1OCCC[C@H]1CNc1c(F)cc(C#N)cc1F 301587347 PLHRIDGHEBHGEP-BLLLJJGKSA-N 294.345 3.700 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1cccc(OCC#N)c1 308087569 LEVPPXHZGFHHCY-AWEZNQCLSA-N 288.391 3.990 30 20 CHED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1CCCCC#N 111278544 KBVZJSRFDAMIQW-VYDXJSESSA-N 272.392 3.531 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)C[C@H](c2ccsc2)O1 120906243 ILQBZKXXBONNSL-DZGCQCFKSA-N 292.448 3.840 30 20 CHED C=CCCCC(=O)Nc1ccccc1SC(=O)N(C)C 177811399 LOCOVJYTFACWOL-UHFFFAOYSA-N 292.404 3.755 30 20 CHED C=CCN(Cc1c(C)noc1C)CC1CCCCC1 69859797 OHLLURPMRGNXIM-UHFFFAOYSA-N 262.397 3.860 30 20 CHED Cc1c([C@H](C)Nc2nccnc2C#N)oc2ccccc12 301169961 JUQNDUDZVIMKLX-NSHDSACASA-N 278.315 3.576 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(C#N)nc2)C1 301551879 YOMKNZSOGIGZFD-CABCVRRESA-N 277.371 3.644 30 20 CHED C[C@@H](NCCCOC1CCCCC1)c1cccc(C#N)c1 37237360 QFGDQCXYDVYUGF-OAHLLOKOSA-N 286.419 3.948 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(Oc2cccnc2)cc1 63289010 UAMVWHQNHJBMRH-UHFFFAOYSA-N 294.354 3.688 30 20 CHED C[C@H]1CCCC[C@H]1N(C)c1ccc(Cl)c(C#N)n1 301526889 NTYXMSNQOAHPOZ-GXFFZTMASA-N 263.772 3.622 30 20 CHED CCCCSc1ccc(Cl)cc1C(=O)N[C@@H](C)C#N 185177455 ADJSOMQBPLLBEE-JTQLQIEISA-N 296.823 3.874 30 20 CHED C[C@@H]1CC[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1 302571336 ZEOXMEKNJRXJMR-BXUZGUMPSA-N 251.333 3.707 30 20 CHED N#CC1(COC(=O)c2cc3ccccc3s2)CCC1 183872820 NUEDMPDPGBVHRU-UHFFFAOYSA-N 271.341 3.752 30 20 CHED C=CCCCC(=O)NCc1cc(Cl)ccc1C 189690371 SAIQQBGMSTWKTG-UHFFFAOYSA-N 251.757 3.621 30 20 CHED Cc1ccc(F)cc1OCc1ccc(F)c(C#N)c1 235789131 IFQDRFMBBSLETA-UHFFFAOYSA-N 259.255 3.724 30 20 CHED N#Cc1ccc(CNc2cc(F)ccc2OC(F)F)cc1 128111918 KFMKGIXGLTUZFG-UHFFFAOYSA-N 292.260 3.911 30 20 CHED Cc1cc(OCCCOCc2ccccc2)ccc1C#N 434740256 YVYMGFZGITUUMZ-UHFFFAOYSA-N 281.355 3.852 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(OC)c(Cl)c1 129791352 VCQYAXYVAFJIEK-SECBINFHSA-N 260.164 3.752 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCCC1)c1nc2ccccc2o1 181709265 HJHBVKKGWPUIPO-LBPRGKRZSA-N 298.342 3.906 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)[C@@H](C)CN(C)[C@@H]2C 416392392 SGVZJWHENSMCOY-CMPLNLGQSA-N 265.360 3.525 30 20 CHED C[C@@H](CC(=O)OCc1ccc(C#N)cc1)c1ccccc1 72205221 HLICBXYUORKUGG-AWEZNQCLSA-N 279.339 3.795 30 20 CHED CSc1ccc(C)c(C(=O)NCc2ccc(C#N)cc2)c1 78236489 DLMRTIQRDXBXQK-UHFFFAOYSA-N 296.395 3.519 30 20 CHED C=CC1CCN(c2ncc(F)c(-c3ccsc3)n2)CC1 418867698 MNKZOAKOIULQPH-UHFFFAOYSA-N 289.379 3.747 30 20 CHED COc1cccc2sc(NCc3ccc(C#N)cc3)nc12 181940601 ZRKKIAZYRLIZMJ-UHFFFAOYSA-N 295.367 3.789 30 20 CHED Cc1cc(COc2cc(Cl)ccc2C#N)ccc1C#N 447290497 OCAQNZWMXDLQBD-UHFFFAOYSA-N 282.730 3.971 30 20 CHED Cc1ccc(C(C)(C)CN[C@@H]2CCC[C@H](C#N)C2)cc1 185813531 QGFLONQOGPLYMD-DOTOQJQBSA-N 270.420 3.945 30 20 CHED C[C@H](NCCCSCC#N)c1cc2ccccc2o1 182622167 IGNMUXNUOVTZAO-LBPRGKRZSA-N 274.389 3.730 30 20 CHED C[C@H](Nc1ncccc1Cl)c1ccc(C#N)cc1 37749738 BJGUEKSLUDFVTB-JTQLQIEISA-N 257.724 3.780 30 20 CHED CC#CCCNC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 413457823 LQWSGRQJDHYDEF-ROUUACIJSA-N 298.430 3.768 30 20 CHED CCCc1nnc(SCCC2(C#N)CCCCC2)o1 412995761 DTKKEBBWRYPBGI-UHFFFAOYSA-N 279.409 3.978 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C(F)(F)F)ccn1 180596921 JEGXKIHZQWWZNN-UHFFFAOYSA-N 284.281 3.807 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(F)c1 189346645 SKAGGKFLBYQYNK-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC(C)(C)c2c(Cl)cccc21 509841122 VEGKJXFDAFKBQA-MRXNPFEDSA-N 290.794 3.904 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cc(F)ccc2OC)CCC1 188896877 ZVRHKGNKFNJQSE-LBPRGKRZSA-N 291.366 3.758 30 20 CHED C=C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1F)c1ccccc1 412672085 LPWBGEDMAPZCIF-NUEKZKHPSA-N 275.367 3.743 30 20 CHED CN(CC1(C#N)CC1)[C@H]1CCCC[C@@H]1c1ccccc1 412004006 BSHWEIGZSJIEOG-SJORKVTESA-N 268.404 3.948 30 20 CHED CC(C)(CC(=O)N1CCCc2cc(C#N)ccc21)C1CC1 411000282 JEXMRLLNKNXWIE-UHFFFAOYSA-N 282.387 3.664 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(O)c(Cl)c1 188967713 FHICQRVQEYWXDT-ZDUSSCGKSA-N 253.729 3.586 30 20 CHED C=C(C)CN(C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 181309947 QDEVZDQWLMYVNB-CYBMUJFWSA-N 271.364 3.614 30 20 CHED C=CCOCCCC(=O)Nc1ccc(OC(C)C)cc1C 79655201 PJBYSAAVWHGROR-UHFFFAOYSA-N 291.391 3.704 30 20 CHED O=C(CCCC1CCCC1)NCC#Cc1ccccc1 79400939 OLZQBJWHYQFTAB-UHFFFAOYSA-N 269.388 3.515 30 20 CHED Cc1ccccc1C(C)(C)CNC(=O)c1cccc(C#N)c1 505424561 BFAZPRKHTJHXRE-UHFFFAOYSA-N 292.382 3.574 30 20 CHED N#Cc1cccc(CSCCOCC2CCC2)c1 419632394 OKUOQNZWGOVVDW-UHFFFAOYSA-N 261.390 3.608 30 20 CHED N#Cc1cc(NC2CCCCCC2)ccc1[N+](=O)[O-] 134845318 XWYXQRKGJMCZIK-UHFFFAOYSA-N 259.309 3.601 30 20 CHED CN(Cc1cc(C#N)ccc1F)C1CCC(F)(F)CC1 287056374 URQYLFXSCAKORJ-UHFFFAOYSA-N 282.309 3.707 30 20 CHED CCC(CC)[C@@H](C)C(=O)N1CCc2cc(C#N)ccc21 416020502 ZQYVYHOFVBGNAF-GFCCVEGCSA-N 270.376 3.520 30 20 CHED N#CCCN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 411501936 VPAJVTSGYSUUNQ-SNVBAGLBSA-N 296.214 3.812 30 20 CHED N#CCCCN1CCC[C@H]1CCCc1ccccc1 135367287 FABYJFKVFBETFD-QGZVFWFLSA-N 256.393 3.777 30 20 CHED O/C(=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1c[nH]c2cccnc12 328798094 WIJCAGJASAJQQY-ZRTFPUAOSA-N 295.386 3.692 30 20 CHED C[C@@H](CN(CCC#N)Cc1ccco1)c1ccccc1 176298247 AXVZVHKCJKEZGY-HNNXBMFYSA-N 268.360 3.799 30 20 CHED C=CCC1(C(=O)N[C@@H]2COCc3ccccc32)CCCC1 416084856 PNKINDMSHMZQEQ-MRXNPFEDSA-N 285.387 3.511 30 20 CHED CCCN(C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 195736846 RGVRCPVLBBBDPO-UHFFFAOYSA-N 292.382 3.960 30 20 CHED C=CCOc1ccccc1C(=O)N(C)CC1CCCCC1 502487569 MUPLCZKGLWWIHJ-UHFFFAOYSA-N 287.403 3.904 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)CCc1ccc(OC)cc1 424620785 VYZLHQWWNWUTAI-AWEZNQCLSA-N 289.419 3.735 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(OCc2ccccc2)cc1 194969596 DXQBQSZJNDKPET-MRXNPFEDSA-N 294.398 4.000 30 20 CHED OC(CCC1CCCCC1)=Nc1nncn1C1CC1 329116443 NJGXZTSDAJQSPM-UHFFFAOYSA-N 262.357 3.562 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC/C=C\c1ccncc1 426143595 OGICSIDSMCPRNX-ARJAWSKDSA-N 293.370 3.866 30 20 CHED N#CCc1cccc(C(=O)N[C@H](c2ccccc2)C2CC2)c1 49623023 DIEPVUCNDXRODO-GOSISDBHSA-N 290.366 3.634 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCOC2(CCCC2)C1 135292635 SEIIDBBWTVPMRR-UHFFFAOYSA-N 298.430 3.633 30 20 CHED C=CCC[C@H](C)N[C@@H](C(=O)OC)c1ccc2ccccc2c1 428391938 XZZRQJHLUCYOGY-KBXCAEBGSA-N 297.398 3.998 30 20 CHED Cn1c(-c2ccccc2)cnc1Sc1ccc(C#N)cn1 42847987 LVQNCTYQNXBRHC-UHFFFAOYSA-N 292.367 3.505 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCc1ccccc1F)CC2 516896783 SJTUMCUYGZYKGU-GOSISDBHSA-N 280.346 3.517 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCCC2CCCC2)c1 80870116 KOWDHQJOTBEZJF-ZWKOTPCHSA-N 296.414 3.748 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1ccccc1C#N 42227076 FXAPPRQHSIRCFX-LBPRGKRZSA-N 256.374 3.813 30 20 CHED N#Cc1csc(C(=O)OCc2cc3ccccc3o2)c1 83939046 PEUJSSYCIRMGKY-UHFFFAOYSA-N 283.308 3.723 30 20 CHED C=CC[C@@H](C)NC(=O)CCCc1cc(C)sc1C 84604732 DGOVCZBZZVZDBH-LLVKDONJSA-N 265.422 3.768 30 20 CHED CCc1ccc(C(=O)/C=C/c2c(C)nn(CC)c2C)o1 83982105 VIBFPZVBWFQEPZ-CMDGGOBGSA-N 272.348 3.571 30 20 CHED C=CCCCCNc1cc(Cl)ccc1C(=O)N(C)C 517072620 QPRGHHIPOCWYRS-UHFFFAOYSA-N 280.799 3.810 30 20 CHED CCN(C(=O)[C@]12CCC[C@H]1C2)[C@@H](C)c1ccc(C#N)cc1 421438661 RLVZXSYTEPWSOS-OWQGQXMQSA-N 282.387 3.658 30 20 CHED Cc1cc(N2C[C@H](c3ccccc3)C[C@@H]2C)c(C#N)cn1 425233088 VJHXREISLGPPQF-GOEBONIOSA-N 277.371 3.644 30 20 CHED CCc1ccccc1NC(=O)c1ccc(F)c(C#N)c1 336044607 CZHKYKOIRXCQFO-UHFFFAOYSA-N 268.291 3.512 30 20 CHED CC(C)c1ncsc1NC(=O)[C@]1(C#N)CC12CCCC2 333966638 RGDNASSDECUTDM-OAHLLOKOSA-N 289.404 3.679 30 20 CHED CN(Cc1ccco1)C(O)=Nc1ncc(C(C)(C)C)s1 331248130 NIRYPZYHPBSZPY-UHFFFAOYSA-N 293.392 3.711 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NCC1(CC#N)CC1 619535329 NLXPOTYBKMVDFU-CZUORRHYSA-N 254.377 3.593 30 20 CHED N#Cc1cccc(Cl)c1N1CCC(OC2CCC2)CC1 334939997 IUFRDNQUJCWEMG-UHFFFAOYSA-N 290.794 3.750 30 20 CHED C=CC[C@H](C)[C@@H](C)NCCc1cc(C(F)(F)F)ccn1 516168930 PCMBJWJWQCJHDL-NWDGAFQWSA-N 286.341 3.833 30 20 CHED CCCCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)C1(C)C 236853463 XJKVTABTFBLHRQ-DLBZAZTESA-N 286.419 3.632 30 20 CHED CC(F)(F)CCn1cc(C#N)c(=O)c2cc(Cl)ccc21 336273010 RSRGXAKWMIZEJQ-UHFFFAOYSA-N 296.704 3.572 30 20 CHED CCC1(CC)CCC(/N=C(/O)c2cnns2)CC1 330794210 FPMOPTDSTBXUES-UHFFFAOYSA-N 267.398 3.592 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccc(F)cc2)s1 92398609 RVZHVGYICXKQMP-UHFFFAOYSA-N 274.364 3.900 30 20 CHED N#Cc1c(F)cccc1NCCc1nc2ccccc2s1 96948585 PYVGESRFWANAGG-UHFFFAOYSA-N 297.358 3.962 30 20 CHED CC[C@@H](/N=C(/O)Nc1cccc(F)c1C)C1CCOCC1 331022454 STVLBPMQIAVWBX-CQSZACIVSA-N 294.370 3.665 30 20 CHED CC(C)CCn1cccc1CN(CCC#N)CC1CC1 93091629 JINGKXCIQBXJTP-UHFFFAOYSA-N 273.424 3.660 30 20 CHED C[C@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 92586199 QHQWFEJMIISNQN-GJZGRUSLSA-N 272.392 3.599 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(F)c(Cl)c1Cl 432745227 AOQRACIPHLRKER-QMMMGPOBSA-N 275.154 3.866 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@@H](C2CC2)C1 436295758 ZTIDGKUMKBOSDK-NCOADZHNSA-N 263.425 3.526 30 20 CHED C=CCSCCC(=O)Nc1cccc(C(F)(F)F)c1 349088125 JIURSWGEWKKKQB-UHFFFAOYSA-N 289.322 3.953 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1cccc(C#N)c1 523449703 SWHCXAUPWOHLNK-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1scnc1C1CC1 344046545 KMXHUQVJMODWOB-ZDUSSCGKSA-N 250.367 3.561 30 20 CHED N#Cc1cccc(CNCc2cccc(-c3ccncc3)c2)c1 343267156 FVJRZGSFJIPKPC-UHFFFAOYSA-N 299.377 3.910 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)Cc1ccc(C)s1 432080421 OFKCZMZYAQKFBF-GFCCVEGCSA-N 294.464 3.889 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)C1CC1 436312532 KPJSWHNIPYWXNO-BZSNNMDCSA-N 271.404 3.709 30 20 CHED N#Cc1ccnc(SCc2coc(-c3ccccc3)n2)c1 340958144 OAWUQHRVWYUOIR-UHFFFAOYSA-N 293.351 3.901 30 20 CHED N#Cc1cccc(CN2CC[C@H]2Cc2ccccc2)c1F 340895467 IUSHVFMNKPTAFE-KRWDZBQOSA-N 280.346 3.514 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)OCCC(C)C)s1 341506270 LEKWOEJWOPGJLX-LLVKDONJSA-N 294.420 3.572 30 20 CHED Cc1cccnc1C/N=C\c1c(O)ccc2ccccc12 255345240 OMZCFKJKYGMLJO-ODLFYWEKSA-N 276.339 3.868 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2ccccc2CC#N)cc1 344341800 ZADPOJMAJKBECP-UHFFFAOYSA-N 292.338 3.598 30 20 CHED C=CCCN(C)C(=O)c1ccccc1NCc1ccco1 348856845 RXZDKIVZELAOGT-UHFFFAOYSA-N 284.359 3.540 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 449151247 WUCUAHGPKLJWNF-UERKLNTKSA-N 292.467 3.890 30 20 CHED C=CCCO[C@H](C)C(=O)NCC1(CC(C)C)CCCC1 446286790 FMRZLTJADYEKBQ-OAHLLOKOSA-N 281.440 3.690 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC=CCC1 442904587 REOGWGUDDZTMDT-GJZGRUSLSA-N 254.377 3.907 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C(C)=O)cc2)CC1 359091349 NZDQYKGNPJLFRH-UHFFFAOYSA-N 257.333 3.574 30 20 CHED C=CCCN(C)Cc1ccc(Sc2ccccn2)o1 353130889 XUMSXYNIGLIOGL-UHFFFAOYSA-N 274.389 3.834 30 20 CHED C[C@@H]1SCCN(CC2(CC#N)CC2)[C@@H]1c1ccccc1 602778565 GYOLFRUVWYZLAQ-HOCLYGCPSA-N 286.444 3.859 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(-n3cccn3)c(Cl)c2)C1 442868850 OOUSCCIBXNBPAV-NWDGAFQWSA-N 286.766 3.630 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@H](C)C2(CCC2)C1 357019309 COVZFQQRCALDMG-AWEZNQCLSA-N 284.403 3.579 30 20 CHED C=CC[C@@H](C)NC(=O)NCC(C)(C)c1ccccc1C 604897585 MYFRHVLWBZZZJW-CQSZACIVSA-N 274.408 3.536 30 20 CHED CCC(CC)N(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1 530918310 SZISORCSPVGAKE-CYBMUJFWSA-N 299.418 3.982 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 448593970 HOMHNQYFWSQONU-GDBMZVCRSA-N 270.376 3.908 30 20 CHED CC[C@H](N[C@@H](C)CN1CCCCCC1)c1ccc(C#N)cc1 447609336 XWXSEWGTEBETRA-LPHOPBHVSA-N 299.462 3.863 30 20 CHED Cc1ccnc(NCc2ccccc2N(C)C(C)C)c1C#N 445620529 ZDZPPBJHGSEQQY-UHFFFAOYSA-N 294.402 3.718 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)cc2O)CCCC1 449085994 BAGAGFXFBQKDPS-UHFFFAOYSA-N 259.349 3.776 30 20 CHED C=C(C)CNC(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 448002178 WQDZRLNGIVBKBC-HZPDHXFCSA-N 272.392 3.746 30 20 CHED C=CCN(C(=O)CCSc1ccccc1Cl)C1CC1 537932760 WTYHBMCWVDPCIH-UHFFFAOYSA-N 295.835 3.999 30 20 CHED CC(C)(C#N)CNC(=O)c1ccc(C2=CCCC2)cc1 355597148 ZXQGCCZOERZMHY-UHFFFAOYSA-N 268.360 3.533 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 353664990 ZVSBVDHGSAVFIC-UONOGXRCSA-N 287.407 3.611 30 20 CHED CCc1ccc2nc(-c3ccc(C#N)c(OC)c3)[nH]c2c1 443024485 ILYOWDLDEZROSF-UHFFFAOYSA-N 277.327 3.673 30 20 CHED N#C[C@H]1CC[C@H](NCCc2csc3ccccc23)C1 442763941 HJPXCLMDNGJDFZ-JSGCOSHPSA-N 270.401 3.726 30 20 CHED CC(C)[C@H]1N(C(=O)CCc2ccc(C#N)cc2)CC12CCC2 359212055 UEVIZPCBUGXORC-GOSISDBHSA-N 296.414 3.528 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1NC1CCC(C)(C#N)CC1 449186677 JOCOAYWNWMDARZ-FYRZTWFESA-N 278.440 3.642 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(C)cc2O)CCCC1(C)C 443868441 NLHRCMOPWUFORC-INIZCTEOSA-N 287.403 3.908 30 20 CHED C=CCSCCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 448817691 FRXDFCQIHTYYCT-CVEARBPZSA-N 289.444 3.606 30 20 CHED N#Cc1csc(CNc2ccc(OC3CCCC3)nc2)c1 533315309 DHFUGUJMMJCPAL-UHFFFAOYSA-N 299.399 3.948 30 20 CHED COCCCCCSCCCC1(C#N)CCOCC1 356930777 HAOHYNSLKGRJPZ-UHFFFAOYSA-N 285.453 3.637 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)C1CCC(C)(C)CC1 351074060 LMIANKAPBMKVRI-UHFFFAOYSA-N 288.439 3.747 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCSc3ccccc32)CC1 358474701 YQACOBDPUMQEPE-HNNXBMFYSA-N 287.428 3.691 30 20 CHED Cc1ccccc1C1(C(=O)NCC(C)(C)CC#N)CCCC1 458045120 SCSHVVOUELJWQN-UHFFFAOYSA-N 298.430 3.863 30 20 CHED CCC[C@@](C)(CC)C(=O)NCc1ccc(C#N)c(F)c1 456839094 OHXCPEPYQRMJGV-MRXNPFEDSA-N 276.355 3.530 30 20 CHED CN(CCCSCC#N)[C@H]1CCC[C@@H]1c1ccccc1 459681874 YDAKORHNTKWZKP-SJORKVTESA-N 288.460 3.901 30 20 CHED C=CCN(CC=C)C(=O)C1(Cc2ccc(Cl)cc2)CC1 536126167 VOFSBBVDKCHDTD-UHFFFAOYSA-N 289.806 3.863 30 20 CHED CC(C)CCOc1cccc(NC(=O)NCCCC#N)c1 273291405 XKDQWWPXYDJADO-UHFFFAOYSA-N 289.379 3.537 30 20 CHED C=CCCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 542948374 YBEPFPOFKGVEIY-AWEZNQCLSA-N 285.309 3.655 30 20 CHED CCC[C@@H](NCc1cc(C#N)cs1)c1ccccn1 610488684 IUKHBBQNEYVWQG-CQSZACIVSA-N 271.389 3.646 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CC#N)c1 455922356 QIRPVCDFVZKPRR-ZBFHGGJFSA-N 285.391 3.843 30 20 CHED N#Cc1ccc(SCC(=O)CC[C@@H]2CCCCO2)cc1 450811415 OWXGYJPHNISEIC-HNNXBMFYSA-N 289.400 3.569 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl 455703213 MBILNLSLMKLRPH-QWRGUYRKSA-N 293.798 3.962 30 20 CHED CCOCCC1(CN[C@@H](CC)c2ccc(C#N)cc2)CC1 278615773 FYMULLXFTGTMHY-KRWDZBQOSA-N 286.419 3.806 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 278981812 KBGRGYWXTYXDQT-KKZNHRDASA-N 296.823 3.559 30 20 CHED N#CCC1CCN(C(=O)Nc2ccc(C3CC3)cc2)CC1 611624383 IEYBKDMIJSXZRG-UHFFFAOYSA-N 283.375 3.722 30 20 CHED N#CCCCC(=O)Nc1ccccc1Cc1ccccc1 361282838 YZMZVUJVKRHXMP-UHFFFAOYSA-N 278.355 3.910 30 20 CHED CCCC(CCC)S(=O)(=O)Cc1ccc(CC#N)cc1 542189495 XKIIZDSAEDCVJF-UHFFFAOYSA-N 293.432 3.636 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 362611847 FWOJONYUWUQQEB-JTQLQIEISA-N 285.347 3.654 30 20 CHED CC(C)CN(C)Cc1cn(CCC#N)nc1-c1ccccc1 271043966 KTJBMHKOZDHGBG-UHFFFAOYSA-N 296.418 3.552 30 20 CHED C=CCC[C@@H](C)NC1CCC(C(=O)OC(C)(C)C)CC1 542704817 FJAMBDQJYLPPBG-WLYUNCDWSA-N 281.440 3.831 30 20 CHED C=CCC[C@@H](CO)N[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 453364113 QYMHCABQJOZULQ-KBXCAEBGSA-N 298.430 3.770 30 20 CHED CCSc1cc(Cl)ccc1C(=O)NCC(C)(C)C#N 360256311 KVFDEKYHBYHPEL-UHFFFAOYSA-N 296.823 3.732 30 20 CHED CCc1cc(Nc2cccc(OCCCC#N)c2)nc(C)n1 542021698 SPVNSYVTYAXHBQ-UHFFFAOYSA-N 296.374 3.774 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@@H]1Cc1ccccc1)C1CC1 540185258 HXINWPOLXRXOOX-OKZBNKHCSA-N 255.405 3.952 30 20 CHED C=C(Cl)CNC1CCN(Cc2ccccc2Cl)CC1 272816495 FZSYFQKWPACRAL-UHFFFAOYSA-N 299.245 3.647 30 20 CHED C#CCCCC(=O)Nc1c(C)cc(C)cc1Br 277781130 ZEKCLHDXFXXNCO-UHFFFAOYSA-N 294.192 3.808 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@H]1CCCc2sccc21 377087846 CYJCMTCHNVUSOM-ZDUSSCGKSA-N 290.432 3.614 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 377516400 WCKXRYXOWGNUMQ-INIZCTEOSA-N 273.376 3.715 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccccc1)C(C)(C)C 622945437 DPGUMIJIAYAIRP-AWEZNQCLSA-N 259.393 3.678 30 20 CHED C=CCC(F)(F)c1nc(-c2cccc(C)c2F)no1 556327929 ZTAFDXPSKBPOSJ-UHFFFAOYSA-N 268.238 3.852 30 20 CHED C#CCCCCC(=O)N(C)[C@H](CC)c1cccc(OC)c1 288429249 QXIJWFSGRABRMS-QGZVFWFLSA-N 287.403 3.798 30 20 CHED CC(C)C[C@@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)CCO1 286555129 QMCGHFGKUZSEQX-VHSXEESVSA-N 299.827 3.674 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)c1cccs1)c1cccc(C#N)c1 461972012 NTGORHGMYDETIA-STQMWFEESA-N 298.411 3.943 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](c1nc(C)cs1)C1CC1 281940877 SFXIWBTZGIEYHS-OLZOCXBDSA-N 293.436 3.557 30 20 CHED CC#CCCCC(=O)N(CC)c1cccc(Cl)c1 464536088 GLDSGUIAIYTZQR-UHFFFAOYSA-N 263.768 3.887 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@H]1CCC(=O)[C@@H]1C 280780276 NKYJUKQTDOJSGQ-NVXWUHKLSA-N 299.414 3.597 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1OCc1ccccc1C 465122748 QCYCZVCFFLFDKB-OAHLLOKOSA-N 295.382 3.878 30 20 CHED CC#CCCCC(=O)N1CCCc2cccc(CC)c21 466444622 XROBFJVXDQOASP-UHFFFAOYSA-N 269.388 3.722 30 20 CHED C=CCCC(=O)Nc1cccc(Cl)c1OCC(F)F 288539311 YPFDOQCLYPPJOU-UHFFFAOYSA-N 289.709 3.889 30 20 CHED C=CCOCCCOc1c(CC=C)cc(C)cc1OC 478825889 PZWQEBWVWZKFBJ-UHFFFAOYSA-N 276.376 3.704 30 20 CHED C=CCn1cccc1C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 553337754 UGYKMMJCEHMERW-YJBOKZPZSA-N 294.398 3.897 30 20 CHED Cc1cc(NC[C@@H](Nc2ccccc2)C(C)C)cc(C#N)n1 552912274 JPRUQFSICXFXJQ-GOSISDBHSA-N 294.402 3.810 30 20 CHED N#Cc1cccc(OCCNc2cccc(F)c2Cl)c1 558261949 QIQOTNGLYRGZQP-UHFFFAOYSA-N 290.725 3.842 30 20 CHED N#Cc1ccc([C@@H](O)CN[C@@H]2CCCCC23CCCC3)cc1 291994513 XANAPEISJCPFOX-ZWKOTPCHSA-N 298.430 3.684 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1cccc(F)c1)C2=O 809157790 VPWGOQZVHTUVHA-YRNVUSSQSA-N 286.277 3.796 30 20 CHED C[C@H]1CCCC[C@H]1OCCOC(=O)CCCCCC#N 805696024 SWIUHNKCWDOSBK-LSDHHAIUSA-N 281.396 3.599 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1ocnc1C1CC1 808010436 XTRZOXNBWQIFED-UHFFFAOYSA-N 299.326 3.508 30 20 CHED C#C[C@H](NCc1cnc(-c2ccco2)s1)C(C)(C)C 809781202 JDUQVVPXAOXIDA-ZDUSSCGKSA-N 274.389 3.541 30 20 CHED CC(C)C1(C)CCN(c2nc(Cl)c(C#N)s2)CC1 804623511 AIBSFLYNIAHHOD-UHFFFAOYSA-N 283.828 3.931 30 20 CHED COC(=O)c1c(F)cccc1NN=C/C=C\c1ccccc1 800818745 MRJUQSLKRYMPPR-KSLDUGBISA-N 298.317 3.723 30 20 CHED C#Cc1ccc(CNC[C@@H]2SCCc3ccccc32)cc1 809624075 GAARLPVBMVDRGI-IBGZPJMESA-N 293.435 3.788 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)c1ccc(Cl)cc1 649993315 MPIWGULXLTVRFA-FZMZJTMJSA-N 265.784 3.914 30 20 CHED CCC[C@@H](OC)c1noc(/C=C/c2ccc(C#N)cc2)n1 296515693 QSAMVTHVVBJZDE-ATWMFIQVSA-N 283.331 3.599 30 20 CHED C#CCCCC(=O)Nc1c(F)cccc1SCC 291815375 YICBYBDWGLGOHC-UHFFFAOYSA-N 265.353 3.680 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccc(Cl)cc1)C1CC1 649893905 WSZCFRDFZRFWLL-LLVKDONJSA-N 263.768 3.621 30 20 CHED C[C@@H](C#N)OCCN[C@@H](CC(C)(C)C)c1ccccc1 801937847 XGJVHBHSKFQGMS-HOCLYGCPSA-N 274.408 3.682 30 20 CHED Cc1nsc(N2CCC[C@@H](C(C)C)CC2)c1C#N 562865229 SHZOMGHPEOIRAH-GFCCVEGCSA-N 263.410 3.586 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(C)cc1)C(C)(C)C 808314388 SKHKTTBRTKSXTB-GDBMZVCRSA-N 286.419 3.745 30 20 CHED CC1(C)CCCN(Cc2ccnc(Cl)c2Cl)[C@H]1C#N 291002359 AZFGLFOKMNQHOO-NSHDSACASA-N 298.217 3.903 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 563934355 BJSVDGKREDUHBP-QWHCGFSZSA-N 276.355 3.755 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCc2cc(F)ccc21 292313547 QVUCGCNMJKWGKZ-CQSZACIVSA-N 261.340 3.532 30 20 CHED Cc1ccccc1/C=C1/C[C@@H](C(=O)O)c2ccccc2C1=O 806560405 LLUAYRCWJOLPST-OOXMNIKJSA-N 292.334 3.833 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCCOC(C)C 483876265 LTJZUNQODHFHLR-UHFFFAOYSA-N 296.455 3.579 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cn1 480575978 GCFMTUDRAPPYIO-ZFWWWQNUSA-N 281.334 3.841 30 20 CHED N#Cc1cc(N2CCC(c3ccc(Cl)cc3)CC2)ccn1 561303954 AWYDDUMAZJGWCY-UHFFFAOYSA-N 297.789 3.991 30 20 CHED CSc1ccc(C=NNc2ccc(C)cn2)s1 814831429 BEAGCIJWUMNAHK-UHFFFAOYSA-N 263.391 3.619 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1O)CC(C)(C)C#N 816632684 UQEMMJMWAMHGMS-UHFFFAOYSA-N 287.190 3.681 30 20 CHED Clc1ccn2c(C=NOCCC3CC3)c(Cl)nc2c1 814246988 LNSSKORUEIADII-UHFFFAOYSA-N 298.173 3.792 30 20 CHED CC[C@H](C)N(C(=O)Cc1c(F)cccc1C#N)[C@H](C)CC 567786198 OBAJZXZJBCTSCT-BETUJISGSA-N 290.382 3.665 30 20 CHED C=CCCCCOC(=O)c1ccn(C(CC)CC)n1 811012979 FNMPEIGRQPUPHB-UHFFFAOYSA-N 264.369 3.757 30 20 CHED N#Cc1cc(NC(=O)C2(F)CCCCC2)ccc1Cl 810566776 FBKBNQNHIXKGIQ-UHFFFAOYSA-N 280.730 3.823 30 20 CHED CC(C)c1ccc(C(=O)OCc2cccc(C#N)c2F)nc1 811261240 FOYQMDHNQJDZNG-UHFFFAOYSA-N 298.317 3.573 30 20 CHED Cc1nc(C(C)C)ccc1CN(CCC#N)CC(C)C 815052642 VXOMBGITRAOQCH-UHFFFAOYSA-N 273.424 3.885 30 20 CHED C=C(CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 815570229 WQXHNXVIZCYNAG-ZDUSSCGKSA-N 297.358 3.541 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNC[C@@H]1CCSC1 811660866 WCNGPHDCLAQGDB-NEPJUHHUSA-N 254.443 3.531 30 20 CHED CSCc1cnc(C=NNc2ccc(Cl)nc2)s1 814859153 NTXVOTDWPJJAEI-UHFFFAOYSA-N 298.824 3.501 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@H](c3cccc(F)c3)C2)n1 576967561 PFUMGECJZBJCOV-KOMQPUFPSA-N 281.334 3.759 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1nc2ccccc2[nH]1 814709156 SPKJKRKLWASXQT-UHFFFAOYSA-N 282.322 3.733 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3ccc(C#N)nc3)C2)cc1 486470738 ZGIMNFVATXIYQD-GOEBONIOSA-N 277.371 3.644 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc2ccccc2c1O 816599020 ZKQWTZWELHYJGN-QFBILLFUSA-N 297.398 3.616 30 20 CHED CCC(=NOCCOC(C)C)c1cc(F)ccc1F 812240738 ZRWNAGUOYWEXRB-UHFFFAOYSA-N 271.307 3.521 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(Cl)cc1OC 815314343 PEHKTNGELTVWRB-UHFFFAOYSA-N 290.693 3.603 30 20 CHED C=CCC(F)(F)C(=O)N1CCc2ccccc2[C@@H]1CC 815616918 BBDXPGHXKZJEFR-AWEZNQCLSA-N 279.330 3.734 30 20 CHED CC1=C(C)C[C@H](C(=O)N2CCc3cc(C#N)ccc32)CC1 578751723 RWRCWSKZJAZCRX-MRXNPFEDSA-N 280.371 3.584 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1ccccc1 819815045 LEEXVFDDFALGJW-ZDUSSCGKSA-N 253.349 3.547 30 20 CHED COc1cccc(/C=C\c2nc3ccccc3n2CC#N)c1 486102695 KMIVROUGCUIEIT-KTKRTIGZSA-N 289.338 3.739 30 20 CHED C=CCCCCSCc1ncnn1CC(C)C 575974210 LSEXPINPXRAPAH-UHFFFAOYSA-N 253.415 3.524 30 20 CHED Cc1cccc2c1CC[C@@H]2/N=C/c1cc([N+](=O)[O-])ccc1O 729641020 ANXYUHIDUDIMLY-HKJBKDEOSA-N 296.326 3.715 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H]1C1CC1 579885694 GFESIOYMEHMHQU-ZIAGYGMSSA-N 256.349 3.557 30 20 CHED N#CCC[C@H](C#N)CN[C@@H](c1ccccc1)C1CCCC1 574475541 UGGVIWTVYPBSDH-QAPCUYQASA-N 281.403 3.951 30 20 CHED Cc1cccc(COC(=O)CSc2ccc(C#N)cc2)c1 728680651 VIZYYZLEWFHWFS-UHFFFAOYSA-N 297.379 3.702 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc3oncc3c2)c1 821028864 YAUPIDMRGSOPQC-ALCCZGGFSA-N 279.295 3.733 30 20 CHED CC(Cc1cccs1)=NNCCCc1ccccc1 729637028 SBSFIMTZNXIBIQ-UHFFFAOYSA-N 272.417 3.889 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC1(Cl)Cl 823624064 PLHXIHSIAMWCPP-GWCFXTLKSA-N 283.202 3.745 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1nc(C2CC2)cs1 820499361 QTRGYWVFPMLRBV-UHFFFAOYSA-N 265.378 3.666 30 20 CHED C[C@]1(CCN[C@H]2CCC[C@H](C#N)C2)CC1(Cl)Cl 824971470 RLOILBZDHBHPTO-SRVKXCTJSA-N 275.223 3.632 30 20 CHED CCOC[C@H](C)Nc1ccc(OC(C)(C)C)c(C#N)c1 824721666 GTIIJCVCSAYATD-LBPRGKRZSA-N 276.380 3.572 30 20 CHED C=CCOC(=O)[C@@H](SCc1ccccc1)C(C)C 727627153 AVDDGGPPSRQDIQ-AWEZNQCLSA-N 264.390 3.674 30 20 CHED Cc1ccc(N(C)C(=O)c2ccccc2SCC#N)cc1 725742637 VWHLUGLURYNEPT-UHFFFAOYSA-N 296.395 3.887 30 20 CHED C=C(CC)CNC(=O)NCc1cc2cc(C)ccc2o1 661289305 FHABEUWROYCEBW-UHFFFAOYSA-N 272.348 3.507 30 20 CHED CC(C)N(CCC#N)C(=O)CCCc1ccccc1Cl 589616125 ILSSKQLJKQERIO-UHFFFAOYSA-N 292.810 3.813 30 20 CHED C=C(C)C(C)(C)C(=O)OCC[C@@H]1CC1(Cl)Cl 821452399 YVHCBTAURJEALO-SECBINFHSA-N 265.180 3.716 30 20 CHED C#C[C@H](OC(=O)c1ccc(SC)o1)c1ccccc1 821611472 HLENRRSIMBOLOK-LBPRGKRZSA-N 272.325 3.533 30 20 CHED CC(C)(C(=O)N(O)Cc1ccc(F)cc1)C1CCCC1 901372200 UKBWLQOJQPFNDH-UHFFFAOYSA-N 279.355 3.760 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc3oncc3c2)cc1F 821039036 OGSWJWQRHMOOLM-DJWKRKHSSA-N 297.285 3.872 30 20 CHED C=C(Cl)CNC(=O)Cc1coc2ccc3ccccc3c12 736239212 QEJBBIKNSBPUKT-UHFFFAOYSA-N 299.757 3.997 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1sccc1Cl 588601462 OMRPEORGSCLDTA-PLNGDYQASA-N 280.780 3.648 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C/C1CCCC1 493058401 WBEVKIGLTMBDCD-ZHACJKMWSA-N 294.398 3.819 30 20 CHED CC#CCCNC(=O)Nc1cccc(Cl)c1OC(C)C 497646420 JWRMRPDWNUPUCO-UHFFFAOYSA-N 294.782 3.662 30 20 CHED C=CC[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccncc1 734683175 JNUHGZIOCVMLCT-QGZVFWFLSA-N 295.386 3.540 30 20 CHED N#Cc1ccc([C@@H](Sc2ccccc2F)C(=O)O)cc1 739117926 NQZOQKUHAGOHLQ-CQSZACIVSA-N 287.315 3.615 30 20 CHED CSc1ccc2c(c1)[C@@H](NCC1(C#N)CC1)CCC2 903105956 JKZZFAXJLGQIDL-HNNXBMFYSA-N 272.417 3.679 30 20 CHED Cc1cc(F)ccc1C1CCN(c2ccncc2C#N)CC1 584208056 ZFYLWUCGQGYHGM-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1coc2c(F)c(F)ccc12 907962923 OWXJCWFIESMHOA-LLVKDONJSA-N 293.313 3.724 30 20 CHED C=C[C@@H](CC)CC(=O)OCCc1noc2ccccc12 909526544 ZGCPXGZQWMAWPP-LBPRGKRZSA-N 273.332 3.516 30 20 CHED COc1ccc(O)c(C(C)=NNc2c(F)cccc2F)c1 735614954 GINHGBJXYYLEQL-UHFFFAOYSA-N 292.285 3.515 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)cc1)c1cncs1 735792955 OOVIIHYEKQFEOS-ZZXKWVIFSA-N 281.283 3.641 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 839224646 PGFFVMIYLICKGY-UHFFFAOYSA-N 282.727 3.789 30 20 CHED CCN(C(=O)C#CC(C)(C)C)[C@@H](C)c1ccc(F)cc1 837354339 ZURLXFVVCLQKPV-ZDUSSCGKSA-N 275.367 3.785 30 20 CHED CCN(C(=O)CCCCCC#N)c1ccc(OC)cc1 588749679 MSFIBELRIRHGPK-UHFFFAOYSA-N 274.364 3.522 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)NCC(C)(C)C#N 903100785 XRPRFJOLTTURPV-SNVBAGLBSA-N 265.426 3.775 30 20 CHED CCC1(CC)CCN(C(=O)CCCCCC#N)CC1 588691134 CYPUTSWJMVOEIB-UHFFFAOYSA-N 264.413 3.889 30 20 CHED CC[C@@H](NC1CCN(C2CCC2)CC1)c1cccc(C#N)c1 902777209 UBDLBZCBTAHWDK-LJQANCHMSA-N 297.446 3.616 30 20 CHED CCc1nc(C)c(C(C)=NNCc2ccccc2F)s1 835012318 WHGLJKCTMOZNEW-UHFFFAOYSA-N 291.395 3.667 30 20 CHED CC[C@@H](N[C@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 902882689 VGPCQWMZISCVAG-DLBZAZTESA-N 284.403 3.701 30 20 CHED C=CCC1(C(=O)OCCc2cn3ccccc3n2)CCCC1 838915177 HAHLSZOPMUISDR-UHFFFAOYSA-N 298.386 3.557 30 20 CHED C#CCN(C(=O)Nc1ccccc1OC1CCCC1)C1CC1 836299622 QWAHDLWGBVJKLY-UHFFFAOYSA-N 298.386 3.638 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H](C)c1ccc(Cl)s1 839038668 YUTJFXNMIORKNQ-ZJUUUORDSA-N 270.781 3.850 30 20 CHED CCC/C=C/C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 735203728 LXUNGSKTQIIJIO-AZWQULSGSA-N 294.354 3.724 30 20 CHED CCn1nnc(C)c1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 834400703 KVKLEOZTACLXMH-VAWYXSNFSA-N 297.402 3.800 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(Cl)ccc1OCC 675933719 NSRZQTGEAWOOQM-WDEREUQCSA-N 253.773 3.964 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(-c2ccco2)s1 590494296 MHNAEWCQIYRYBI-UHFFFAOYSA-N 288.372 3.630 30 20 CHED COc1cc2ccccc2cc1C=NO[C@H]1CCCCO1 834966893 PWVNOIYJEIJBFT-KRWDZBQOSA-N 285.343 3.726 30 20 CHED CC[C@@H](C#N)Sc1nnc2n(C(C)C)c3ccccc3n12 915886604 HDXXXGXWRCMHGJ-NSHDSACASA-N 299.403 3.659 30 20 CHED O=C(NO)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 671994801 DXXNMJOMZLPGOJ-UHFFFAOYSA-N 298.125 3.905 30 20 CHED C[C@H](Cc1ccc2c(c1)CCCC2)NCCCCC#N 595015650 ZLEXOOSZLKMWAT-OAHLLOKOSA-N 270.420 3.780 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1cccc(Cl)c1 744071859 WVSWDJUBAWWAAA-GFCCVEGCSA-N 282.767 3.927 30 20 CHED C=CCC[C@H](NCCc1ccc(CO)cc1)c1ccco1 671755361 UHVOXOLQQPSCFM-KRWDZBQOSA-N 285.387 3.612 30 20 CHED CCSC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 595102022 XXBSALXAOCEPHB-NSHDSACASA-N 278.396 3.634 30 20 CHED CCc1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1C 596814809 AGBRVKARFITTIK-CQSZACIVSA-N 285.391 3.715 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)CCCCCC#N)cc1 594030508 BHNJHAGLYKGGJP-QGZVFWFLSA-N 297.402 3.746 30 20 CHED C=C(C)CCc1noc([C@@H](C)Cc2ccc(C#N)cc2)n1 594541485 XGLYJVCHUHYUJI-ZDUSSCGKSA-N 281.359 3.796 30 20 CHED COc1ccnc(NN=CC[C@@H](C)CCC=C(C)C)n1 914696559 DYVAQHWAXIEGKJ-ZDUSSCGKSA-N 276.384 3.656 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(F)ccc2OC(F)F)C1 595614523 DDHRNTCDSRDHEX-NSHDSACASA-N 298.308 3.553 30 20 CHED C[C@@H](Cc1ccccn1)Nc1nc(C(C)(C)C)ccc1C#N 594593760 JGQZZGKYYQWUQF-ZDUSSCGKSA-N 294.402 3.689 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1ccc(F)cc1F 840750807 XFGDJHZKEWQBHE-UHFFFAOYSA-N 284.375 3.854 30 20 CHED CC1(C)CN(C(=O)C#Cc2ccccc2)[C@H]1c1ccccc1 747368446 HGBNVZTUVASYES-IBGZPJMESA-N 289.378 3.648 30 20 CHED C[C@H](C#N)N(CC1CCC(C(F)(F)F)CC1)C1CC1 595709655 HWQUGRZLRDGULP-VOMCLLRMSA-N 274.330 3.732 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)c1ccc(C2CC2)cc1 597774529 ADGBXNJZTHPFIX-UHFFFAOYSA-N 288.350 3.639 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)c1cccc(F)c1)c1ccncc1 742076531 OKOHYZDCTUKSPE-DYVFJYSZSA-N 298.361 3.758 30 20 CHED Cc1ccc(C)c(C=NNc2ccc([N+](=O)[O-])cc2)c1 916245097 UOUAERUPMIAKGW-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C#Cc1cccc(NC(=S)N2C[C@@H](C)CCC[C@H]2C)c1 741492551 ANQMATUEQCJSSM-UONOGXRCSA-N 286.444 3.875 30 20 CHED CC(C)(C)CN(CCC#N)CCc1noc2ccccc12 593959972 WEOOPKSFLCVOKT-UHFFFAOYSA-N 285.391 3.632 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc(Cl)cc1F 926220538 WZEBFYYKESIUHM-JTQLQIEISA-N 268.763 3.897 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCCc1ccc(C#N)cc1 849795614 FDUVHYRNCNSUPZ-CYBMUJFWSA-N 299.292 3.623 30 20 CHED COc1ccc(C(C)(C)C)cc1-c1noc(CCCC#N)n1 592412920 HEXUVJAOBYQECG-UHFFFAOYSA-N 299.374 3.889 30 20 CHED CSCC1(CCNC2CCC(C)(C#N)CC2)CC1 594975906 WQRGNBQYZIMPMD-UHFFFAOYSA-N 266.454 3.582 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(OC(C)C)cc1Cl 844641595 NBZILYZYFZFRAN-SNVBAGLBSA-N 298.770 3.755 30 20 CHED CCOc1ccc(O)c(C=Nc2cscc2C)c1 747690912 QSZFRIADDUNOOW-UHFFFAOYSA-N 261.346 3.911 30 20 CHED CC[C@H](C#N)C(=O)N(C)C1c2ccccc2-c2ccccc21 593501895 DLZXUMOJCVMFDH-CYBMUJFWSA-N 290.366 3.765 30 20 CHED N#Cc1ccc(-c2cccc(CN3CCCC3)c2)cc1 593951677 GONPZMWNPFHNEJ-UHFFFAOYSA-N 262.356 3.821 30 20 CHED CC(C)c1nn(C)cc1-c1ccc2c(CC#N)c[nH]c2c1 844229488 JLYFKMYMRJYJGE-UHFFFAOYSA-N 278.359 3.758 30 20 CHED CCCCSCCC(=O)OCc1cc(C#N)ccc1F 748801539 ZGPROMMXMPYLNB-UHFFFAOYSA-N 295.379 3.664 30 20 CHED C=CCC[C@H](C(=O)OCCC1(O)CCC1)c1ccccc1 840468988 JZXWGQCMPYBVNV-INIZCTEOSA-N 288.387 3.585 30 20 CHED C=CCCCCNC(=O)Cc1c(C)nc2ccccc2c1C 681146420 XHMIMLJXTNNREH-UHFFFAOYSA-N 296.414 3.867 30 20 CHED C[C@@H]1CC[C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)[C@H](C)C1 593978429 YFBYONMWXMIDJP-ADAWSYLGSA-N 298.430 3.678 30 20 CHED C=CC[C@@H]1N(C(=O)C2CCC(OC)CC2)CCCC1(C)C 683457787 LORDQLNKOOHHAP-GPANFISMSA-N 293.451 3.785 30 20 CHED C#C[C@H](CCC)NC(=N)Nc1c(CC)cccc1CC 849092955 MRNALCBMWPOPAH-OAHLLOKOSA-N 271.408 3.550 30 20 CHED C#CCCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 742790400 HHWZMCPQIDOKFZ-UHFFFAOYSA-N 292.791 3.540 30 20 CHED C#CCNC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 746205808 RBJLHNOVHMNYDG-INIZCTEOSA-N 292.382 3.593 30 20 CHED CCCCCCC=NNc1ncc(Br)cn1 848420933 MTVGZWRQUGCCSS-UHFFFAOYSA-N 285.189 3.607 30 20 CHED C#CC[C@@H](NC(=O)c1ccccc1SC)c1ccccc1 758006842 RRJXEYWLJBDTCK-MRXNPFEDSA-N 295.407 3.903 30 20 CHED C=C1CN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 929210083 JVTWHNCGTAVZBI-UHFFFAOYSA-N 290.672 3.763 30 20 CHED Fc1cc(NN=C[C@H]2CCC[C@@H](C(F)(F)F)C2)ccn1 853331871 JDPWLOBKLVKQGD-VHSXEESVSA-N 289.276 3.987 30 20 CHED CC[C@H](C)c1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1 928219569 AFRIGSQCJBLGGG-KBPBESRZSA-N 270.376 3.576 30 20 CHED Clc1ccc(Cl)c(NN=Cc2ccncc2)c1 751895647 QATQQIJLCXNJSR-UHFFFAOYSA-N 266.131 3.834 30 20 CHED CCCCCCCCNC(=O)N(CC)C1CCC1 755079839 ZLRCSGIIRWHFNB-UHFFFAOYSA-N 254.418 3.931 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(NC(=O)C2CC2)c1 929872628 IWSMEWQAKWHUNO-GFCCVEGCSA-N 286.375 3.576 30 20 CHED Oc1ccc(C=NNCc2ccccc2Cl)cc1Cl 921258333 QOTNRPFQAJXBBX-UHFFFAOYSA-N 295.169 3.823 30 20 CHED Cc1ccc(/C=C2/COc3c(F)cccc3C2=O)s1 921265966 GYVWLZXVMTVQSP-YFHOEESVSA-N 274.316 3.854 30 20 CHED COc1ccc(NN=C(C)Cc2cccc(F)c2)cc1 750922138 NMYZJPVBKFFLFL-UHFFFAOYSA-N 272.323 3.865 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@@H](CC#N)c1ccccc1 851205433 ZJRBFCALADHXET-GOEBONIOSA-N 298.386 3.946 30 20 CHED CC(C)CCSCC(=O)O[C@H](C)CC(C)(C)C#N 851211084 ZKDSNYBQEVUWFO-GFCCVEGCSA-N 271.426 3.637 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H]1CCC(C)(C)C1 753727841 QCTCGGRFCWKFMT-STQMWFEESA-N 258.365 3.968 30 20 CHED C=CCOCCSC[C@H]1CCCCC1(F)F 853775378 UTUQITOIPMXTAP-LLVKDONJSA-N 250.354 3.748 30 20 CHED Clc1nc(Nc2ccccc2)sc1C=NNC1CC1 758128142 WFTOAPIFTVWKEQ-UHFFFAOYSA-N 292.795 3.626 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccccc1)OCC 756475592 CUQUCJASNVTSMD-ZFWWWQNUSA-N 262.349 3.662 30 20 CHED CC(C)=C(C)C(=O)Nc1cc(C#N)ccc1OC(C)C 751363581 JAGATZKCYURSDX-UHFFFAOYSA-N 272.348 3.640 30 20 CHED C#CC[C@H](NC(=O)Nc1nc(C)c(C)s1)c1ccccc1 756922447 SHKNNYNKAWDNIP-AWEZNQCLSA-N 299.399 3.646 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cccc(OC(F)F)c1 860197901 OJMQZIAJTGBLHN-UHFFFAOYSA-N 297.301 3.661 30 20 CHED CCCCCCCC(=O)N1Cc2cccc(OC)c2C1 863280144 ASTPFVLFLNUORF-UHFFFAOYSA-N 275.392 3.898 30 20 CHED C=CCn1c(Sc2nc(CC)cs2)nnc1C1CC1 865420339 CLCKGGQRNCAHAQ-UHFFFAOYSA-N 292.433 3.512 30 20 CHED CC(=NO[C@H]1CCCCO1)c1csc(C(C)C)n1 768784199 NBYYWIUYSRKHTL-LBPRGKRZSA-N 268.382 3.534 30 20 CHED C=C1CN(C(=O)Nc2ccccc2SC(C)C)C1 930385796 ANNYLIKJQAGVMF-UHFFFAOYSA-N 262.378 3.591 30 20 CHED COc1ccsc1C(C)=NNc1nncc2ccccc12 769764734 PLMTVRNZQKSWIK-UHFFFAOYSA-N 298.371 3.536 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cncc(C)c1 767366754 GOPLDSUMVVNVCR-UHFFFAOYSA-N 253.349 3.843 30 20 CHED COc1ccc(C=NNc2ccc(Cl)cc2)s1 763105369 PIWANKIVJRVKLK-UHFFFAOYSA-N 266.753 3.856 30 20 CHED FC(F)C1CC(=NNc2ncc(Cl)cc2Cl)C1 766009491 ZWQAEDPKGKQLEW-UHFFFAOYSA-N 280.105 3.831 30 20 CHED C[C@H](O)c1ccc(-c2cc(C#N)cc(N3CCCC3)c2)cc1 864549339 DBKZSZGLNOTYEQ-AWEZNQCLSA-N 292.382 3.879 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(Cl)cc1NC(C)=O 932132016 FZXSDRWFVGBNQW-LLVKDONJSA-N 294.782 3.839 30 20 CHED CCCCCCCNC(=O)C[C@H]1CCC[C@@H](OC)C1 862357515 WXKMQVXUCNTXLI-LSDHHAIUSA-N 269.429 3.668 30 20 CHED CCC[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)C(C)C 763852722 FWSLLIRLOJNVAQ-CQSZACIVSA-N 277.339 3.813 30 20 CHED Cc1cccc(NN=C2CCC[C@@H]2C(C)(C)C#N)n1 863160008 NLSZPZOFBGABIA-LBPRGKRZSA-N 256.353 3.508 30 20 CHED CC[C@H](C)c1ccc(C(C)=NNc2ncncc2F)cc1 863115471 PUAXCBHKJXSIDS-NSHDSACASA-N 286.354 3.965 30 20 CHED COc1ccccc1CC(=NOCC(F)(F)F)C(C)C 764844067 FXMDAOIYZVNNQT-UHFFFAOYSA-N 289.297 3.829 30 20 CHED CC#CC(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 764073870 RHSRQLLIERRXEA-IBGZPJMESA-N 289.334 3.662 30 20 CHED C[C@@H](NCCCCC#N)c1cc(Cl)c(N)c(Cl)c1 760174128 YCWHIZKYVMVCLU-SECBINFHSA-N 286.206 3.920 30 20 CHED C#C[C@H](CC)NC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1116777090 YWAIJESYKMTEGR-QGZVFWFLSA-N 283.415 3.760 30 20 CHED C=CC(C)(C)CC(=O)NCc1nc(C(C)(C)C)cs1 878738607 TXFQLEOQRSYIOD-UHFFFAOYSA-N 280.437 3.659 30 20 CHED CC(C)Oc1cc(F)ccc1NC(=O)C#Cc1ccccc1 779119593 WBRDDVNFTHHVOW-UHFFFAOYSA-N 297.329 3.603 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1sccc1O 771744816 NMVIUKREWVXYIG-FPLPWBNLSA-N 274.341 3.749 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CCc2ccc(F)cc21 1116799000 ZZSVCHALXLYEEW-INIZCTEOSA-N 277.302 3.668 30 20 CHED C=CCCOCCN[C@@H](CC)c1ccc2c(c1)CCCO2 773105995 JFHIKCTVKPNIBN-KRWDZBQOSA-N 289.419 3.645 30 20 CHED C=CCCCCNC(=O)c1c(C)oc2ccc(OC)cc12 770082647 OGHDTSUBNHWPQV-UHFFFAOYSA-N 287.359 3.836 30 20 CHED CC(=NNc1nc2ccccc2cc1C)[C@@H]1CCCOC1 779785697 OREJXOYHTQPJRD-OAHLLOKOSA-N 283.375 3.758 30 20 CHED Fc1ccc(C#CCNc2ccc(OC(F)F)cc2)cc1 771187890 DEWIPFKQTQLMJF-UHFFFAOYSA-N 291.272 3.891 30 20 CHED CC1(F)CCN(Cc2cc(Cl)ccc2OCC#N)CC1 879380988 HFSLRWMZRFPAHV-UHFFFAOYSA-N 296.773 3.566 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)OC2CCCCC2)c1 1116064866 PPBQXOROBVPRRN-OAHLLOKOSA-N 299.414 3.759 30 20 CHED N#CC1(COC(=O)CCc2ccc(Cl)c(Cl)c2)CC1 775853924 JVJAUJLCFGACGV-UHFFFAOYSA-N 298.169 3.773 30 20 CHED Cc1ncsc1/C=C\C(=O)c1cccc(F)c1F 776267520 CFQJDEZYNHYIEQ-WAYWQWQTSA-N 265.284 3.626 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(OC(F)F)cc1F 879888911 XSKHGIKBBGNLBT-UHFFFAOYSA-N 287.281 3.968 30 20 CHED Cc1ccc(NN=CCCc2ccc3c(c2)CCO3)cc1 774314005 XLFRWGVBFZLALC-UHFFFAOYSA-N 280.371 3.960 30 20 CHED Clc1ccnc(NN=C2CCCc3ccccc32)c1 777905119 AYERSSZVUZKHIF-UHFFFAOYSA-N 271.751 3.888 30 20 CHED CC(C)(C#N)CCCOC(=O)CCC1CCCC1 782022885 YDAFRGCJKVZCLA-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CC(C)(NC(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 882220226 UDUUFRQGHBMEEI-UHFFFAOYSA-N 298.308 3.751 30 20 CHED C=CC(C)(C)CC(=O)OCc1nc(C(F)(F)F)cs1 884650125 ZNOFEMOVHFTLDE-UHFFFAOYSA-N 293.310 3.807 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cc(C#N)c(F)cc1F 880712554 RDAIYHBWAIKPBT-SNVBAGLBSA-N 295.333 3.879 30 20 CHED CCOC(=O)[C@@H]1CCC(=NN[C@H]2CCCC2(C)C)[C@@H](C)C1 782302885 VCBKNLWWLWCWBS-GUTXKFCHSA-N 294.439 3.510 30 20 CHED Cc1cc(COC(=O)c2c(C)noc2C(C)C)ccc1C#N 782097088 KVTOQFKZIIUFKX-UHFFFAOYSA-N 298.342 3.644 30 20 CHED C[C@@H](CCO)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782779004 WDEQTHLWDFCGFR-GJZGRUSLSA-N 294.398 3.647 30 20 CHED COc1cc(NN=Cc2cc(C)ns2)ccc1Cl 788467017 ALWSRIYZQHNQQA-UHFFFAOYSA-N 281.768 3.560 30 20 CHED O=C1/C(=C\c2ccc3cnccc3c2)Cc2cc(O)ccc21 782352309 RVOSUKQRSKMJKP-PXNMLYILSA-N 287.318 3.763 30 20 CHED C#Cc1ccc(C(=O)N2CCCC3(CCCCC3)CC2)cn1 787508999 UQALQMMAQRJHGY-UHFFFAOYSA-N 296.414 3.640 30 20 CHED CCc1ccccc1CC(=O)OCc1ccc(F)c(C#N)c1 785827549 DUBGNNJKBBZUFL-UHFFFAOYSA-N 297.329 3.546 30 20 CHED CCS[C@@H](C(=O)OCCCC(C)(C)C#N)C(C)C 785823713 DZZRVTYNKABYDE-GFCCVEGCSA-N 271.426 3.637 30 20 CHED C#CCC1(C(=O)NCCCC(C)(C)C)CCCCC1 788222434 ISXHKEVRVZINJX-UHFFFAOYSA-N 263.425 3.903 30 20 CHED C=C1CCN(C(=O)N[C@H](C)c2ccccc2Cl)CC1 891527893 ZZAQHSHOXCVSKV-GFCCVEGCSA-N 278.783 3.763 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)n1C 785857830 XZIHWZYOLHAREO-SECBINFHSA-N 287.190 3.513 30 20 CHED C#CCCCOC(=O)c1cc(C)c(C)cc1Cl 781312018 DABJZGOZRJPZBT-UHFFFAOYSA-N 250.725 3.527 30 20 CHED CC[C@@H](CC#N)OC(=O)c1nc(-c2cccs2)oc1C 787087397 PAUSDKITJGKCFK-JTQLQIEISA-N 290.344 3.561 30 20 CHED CN(C(=O)[C@H](F)CC1CCCCC1)c1ccccc1C#N 796808863 LSGXWPFCAXEVTQ-OAHLLOKOSA-N 288.366 3.830 30 20 CHED Cc1cnn(C)c1/C=C1/CC(C)(C)c2ccccc2C1=O 794713355 MYHMFGPFLLXHML-LCYFTJDESA-N 280.371 3.676 30 20 CHED C=C1CC(c2noc([C@H]3C[C@H]3c3ccc(F)cc3)n2)C1 896885238 ZJPLNCVSBXYHDO-KBPBESRZSA-N 270.307 3.913 30 20 CHED C=CCCCCC[C@@H](C)NC1CCC2(CC1)OCCO2 793525541 VXEZKLMSMGSOGL-OAHLLOKOSA-N 281.440 3.787 30 20 CHED CC(COC(C)C)=NNc1c(F)cccc1Cl 799886077 STASMANRHGNTIE-UHFFFAOYSA-N 258.724 3.692 30 20 CHED Fc1cncnc1NN=C1CCC2(CCCC2)CC1 793218127 OUULYVCLUWRBOV-UHFFFAOYSA-N 262.332 3.518 30 20 CHED CC(C)C[C@H](C)COC(=O)C1(C#N)CCCCC1 798603766 GIBFQCVQLZMNNQ-ZDUSSCGKSA-N 251.370 3.686 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)CCc2ccc(O)cc21 794959914 GLKHREGLZAHXMB-DHZHZOJOSA-N 286.277 3.883 30 20 CHED CCN(Cc1ccccc1)C(=O)C1(C#N)CCCCC1 44385345 DQEOWWSAXLPOSN-UHFFFAOYSA-N 270.376 3.509 30 20 CHED C=CC[C@H](CC)NC(=S)N[C@H](C)c1cccs1 798374885 ANMWDHDNVIQVLG-MNOVXSKESA-N 268.451 3.628 30 20 CHED N#Cc1ccccc1CN1CCC[C@@H]1c1cccs1 16340757 PECKUHGYZKCGTG-OAHLLOKOSA-N 268.385 3.957 30 20 CHED N#Cc1cc(NC/C=C\Cl)ccc1OC(F)(F)F 799593749 WRTJRAXYGUPFDR-RJRFIUFISA-N 276.645 3.621 30 20 CHED C[C@@H](NN=Cc1ccc(N2CCCCC2)o1)C(C)(C)C 793111558 JDUSFYUUZJYTQS-CYBMUJFWSA-N 277.412 3.628 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)COc2cc(F)ccc21 794726674 DJQZVAUYIHILTB-RMKNXTFCSA-N 290.240 3.763 30 20 CHED C=C(C)CN(C)Cc1cnn(Cc2ccccc2)c1Cl 793587776 SZTWXPJOROPDBR-UHFFFAOYSA-N 289.810 3.593 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)o1 51965754 JEZSDGPWOHKMSM-UHFFFAOYSA-N 266.344 3.624 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1c1cc(C)c(C#N)cn1 1306999704 ZQUYNPOCBRWHSX-IUODEOHRSA-N 257.381 3.667 30 20 CHED CC1(C)CC=C(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1302450382 JXUFJCFCICZHLF-UHFFFAOYSA-N 272.323 3.772 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](Nc2cc(C#N)cnn2)CC1 1186144704 QJZSKWDLAJIRIS-KGLIPLIRSA-N 272.396 3.755 30 20 CHED N#Cc1ccc(NC(=O)CC2CCCCCC2)cc1 135799611 KWXMVBFGXRPWBO-UHFFFAOYSA-N 256.349 3.857 30 20 CHED C#Cc1ccc(C(=O)NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cn1 1318281024 UNMLBVOPFDCAJD-ZVZYQTTQSA-N 298.430 3.501 30 20 CHED C[C@@H](CSC(C)(C)C)Nc1cccc(OCC#N)c1 272972583 SGWNMSXFNJVQLG-LBPRGKRZSA-N 278.421 3.921 30 20 CHED Cc1cc([C@@H](C)Nc2snc(C)c2C#N)c(C)o1 92912522 GXHSVCRHJSBPPF-MRVPVSSYSA-N 261.350 3.706 30 20 CHED C[C@H]1CCCC[C@@H]1c1nnc(-c2ccc(C#N)cc2)o1 1327353375 JGIBCSDFWPMDHH-FZMZJTMJSA-N 267.332 3.902 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 1324561037 OKRRRENAUWGZAH-RDJZCZTQSA-N 295.426 3.848 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccc(C(C)(C)C)nn2)CS1 1324924812 FEEDCAQNSVRCJT-LBPRGKRZSA-N 292.452 3.704 30 20 CHED C=CCCC(C)(C)NCc1ncc(-c2ccccc2)[nH]1 1327211143 WPENRAXDGZLVII-UHFFFAOYSA-N 269.392 3.911 30 20 CHED CCCCCCCCC(=O)OCc1ccc(C#N)cn1 1320778373 YWRLJYNJNTUONO-UHFFFAOYSA-N 274.364 3.747 30 20 CHED CC[C@@H](CNc1cccc(CC#N)n1)CC(F)(F)F 1328648881 IZWUTGCBQKENQG-SNVBAGLBSA-N 271.286 3.538 30 20 CHED C=CCNC(=S)Nc1ccc(C)c(Cl)c1Cl 1324503200 VRKTVXCDUOASKD-UHFFFAOYSA-N 275.204 3.774 30 20 CHED CCC(C)(C)c1ccc(Nc2ncncc2C#N)cc1 1186359592 OPZVSTHZVSFGFD-UHFFFAOYSA-N 266.348 3.779 30 20 CHED N#Cc1c(F)cccc1OCc1nsc2ccccc12 1188995708 MFCLGAVMJRFJNX-UHFFFAOYSA-N 284.315 3.886 30 20 CHED Cc1cc2cc(N[C@H](C)CC(C)(C)C#N)ccc2n(C)c1=O 1333824268 WHFQNBMVVPFHDN-CYBMUJFWSA-N 297.402 3.587 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 1335730276 LMHUDNAMHSGEBT-INIZCTEOSA-N 275.367 3.716 30 20 CHED CCCCCCCCN1CCOC[C@H]1c1cccn1C 1255425178 ZESXFLOWJCSQKQ-KRWDZBQOSA-N 278.440 3.759 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O 785996614 GBLFQISYEFHNJO-AWEZNQCLSA-N 293.794 3.789 30 20 CHED C=C(Cl)COC(=O)C1(Sc2ccccc2)CC1 1333169360 SKMACDHQHYPRLN-UHFFFAOYSA-N 268.765 3.607 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C2CCCC2)oc2ccccc12 1332674765 FODMZAVXIHPIPU-CQSZACIVSA-N 282.343 3.553 30 20 CHED Cc1cccc([C@H](C)C(=O)OCc2ccc(F)cc2C#N)c1 1339379214 SYLCFXXDRWPLQT-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED CC[C@@H](C(=O)O[C@H](CC#N)c1ccco1)c1ccccc1 1263660311 BRXOCNMPQAATJU-GDBMZVCRSA-N 283.327 3.971 30 20 CHED COc1ccc2cc(C(=O)OC3(CC#N)CCC3)ccc2c1 1345760346 MCHVPPJLNCQFFY-UHFFFAOYSA-N 295.338 3.842 30 20 CHED C=CCn1c([C@H](C)C(C)C)nnc1N1Cc2ccccc2C1 1262996153 WBDPULOCPRRWQO-CQSZACIVSA-N 296.418 3.744 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(-c2ccccc2)o1 1262813361 VYFZMFWAVVSMRN-CQSZACIVSA-N 282.343 3.711 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)CCC2CC2)cc1C#N 1273424940 YFGICWUTHGGTDZ-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1350451651 VSMRCENGWLDDDA-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)n1cnc2ccccc21 1514859001 NHMVZYXGTWKFDE-HUUCEWRRSA-N 297.402 3.555 30 20 CHED C=C(C)Cn1c(-c2ccsc2)nnc1N1CCC[C@@H]1C 1516076854 GHMWZFXMGIWUAN-LBPRGKRZSA-N 288.420 3.571 30 20 CHED Cc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1C(=O)O 1600459919 MMFFZOVLEVJEFA-GFCCVEGCSA-N 280.327 3.738 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1cc(C(=O)O)cs1 1600430146 KGPDYDISXGIWPO-HWKANZROSA-N 290.315 3.790 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 1544187818 UBIMSBYSNMWIAG-BJJXKVORSA-N 271.360 3.989 30 20 CHED Cc1c([C@@H](C)NC(=O)[C@@H](C)C#N)sc2ccccc12 1611155808 PIXNBLJWGMUIIQ-GXSJLCMTSA-N 272.373 3.547 30 20 CHED C=C(CNCc1ccc2c(c1)C[C@@H](C)O2)c1ccccc1 1649118031 VPYSCWANJIRKDM-OAHLLOKOSA-N 279.383 3.813 30 20 CHED Cc1cccnc1COc1c(C)cc(Cl)cc1C#N 1644018516 SQTHMIDTWOTXOP-UHFFFAOYSA-N 272.735 3.803 30 20 CHED CCN(Cc1ccc(Cl)cc1C#N)[C@@H](C)C(F)(F)F 1644007595 SRJJOJCALLFUQX-VIFPVBQESA-N 290.716 3.984 30 20 CHED CCC1(CC)CN(c2cc(C#N)cnn2)c2ccccc21 1642476208 ZMKQAYHNHZPLDU-UHFFFAOYSA-N 278.359 3.558 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)cc2)CC1 1585598236 ZZBVWQYBFATYDY-DOTOQJQBSA-N 284.403 3.893 30 20 CHED C=CCCC[C@@H](NC/C=C(\C)C(=O)O)c1ccccc1 1588797654 IKOBDAKWHHDIKS-WCRPCQDQSA-N 273.376 3.705 30 20 CHED Cc1c(C#N)cccc1NCc1cccc2c1CCC2 1656345687 VFGFNVSSNLFPBE-UHFFFAOYSA-N 262.356 3.968 30 20 CHED N#Cc1cnnc(Nc2cccc(Nc3ccccc3)c2)c1 1654948474 JJDOYKMCZVPHNF-UHFFFAOYSA-N 287.326 3.835 30 20 CHED C[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)C[C@@H]1C 1639655130 BSEITPCHVZIPLV-OLZOCXBDSA-N 271.408 3.733 30 20 CHED C=CCCC1(C(=O)O)CCN(CCCC(C)(C)C)CC1 1776169859 ZZAONQXCLNQGCJ-UHFFFAOYSA-N 281.440 3.946 30 20 CHED CC[C@@H](C)CON=C1CCCCc2cc(C(=O)O)ccc21 1776112417 YNEPNECUBOWRIE-GFCCVEGCSA-N 289.375 3.878 30 20 CHED O=C(O)/C=C/c1ccc(/C=C2\Cc3ccsc3C2=O)cc1 1777623688 UXGUKIXNOAZLQK-SFCPEOOZSA-N 296.347 3.668 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc2oc(C(=O)O)cc2c1 1777476687 SRPANXDXTJOBNX-RQOWECAXSA-N 296.278 3.929 30 20 CHED C=CCc1ccccc1CN(C)[C@@H](C(=O)O)c1ccccc1 1776189067 GKFWSAQOTIBJIV-GOSISDBHSA-N 295.382 3.673 30 20 CHED COc1ccc(/C=C2/CCc3ccc(OC)cc3C2=O)cc1 12368250 HDHOCGNMVFRDLT-PTNGSMBKSA-N 294.350 3.916 30 20 CHED CC[C@H](C)N(CC)Cc1ccc(C#N)cc1Cl 162865176 XPJXWSMGANPKOK-NSHDSACASA-N 250.773 3.832 30 20 CHED CC#CCSCc1cccc(C(=O)N2CCCCC2)c1 166649139 YDUUILXWVZDWJZ-UHFFFAOYSA-N 287.428 3.569 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc(OCC(C)C)cc1 152616594 LLUUOXHVAFZJTH-JXMROGBWSA-N 298.386 3.834 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C=C2CCC2)cc1 153336781 QNMSTNYALYTLJV-MRXNPFEDSA-N 282.387 3.775 30 20 CHED CO[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 157529296 OCUFZWLIOOQORE-KBPBESRZSA-N 298.308 3.947 30 20 CHED C=C[C@H](CC(=O)Nc1cccc(C)n1)c1ccccc1 154468694 YIURELURXWDVQS-CQSZACIVSA-N 266.344 3.688 30 20 CHED CC#CCCOc1ccccc1C(=O)Nc1ccccc1 154826548 UIYBWJKXSLOQTO-UHFFFAOYSA-N 279.339 3.731 30 20 CHED C#CCCCN[C@H](C)c1sccc1Br 224306457 HHARSESHXNDARJ-SECBINFHSA-N 272.211 3.575 30 20 CHED C[C@H](CC(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)C 111617047 GHQQAIMGXXUQHI-SNVBAGLBSA-N 262.328 3.708 30 20 CHED CCCC[C@@H](CCC)NC[C@H](O)c1ccc(C#N)cc1 226024857 KIMLEFROGMKKSO-SJORKVTESA-N 274.408 3.540 30 20 CHED C=C(C)CN(CC)Cc1nc(-c2ccc(Cl)cc2)no1 12595991 CTEHEMPVYUGVTE-UHFFFAOYSA-N 291.782 3.788 30 20 CHED COc1ccc(C#N)cc1COc1ccc(SC)cc1 130538518 RSQMNZCZGLDUAP-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C[C@H](Nc1ccc2c(c1)CCO2)c1cccc(C#N)c1 37313476 NNNDVAVEPFNJDI-LBPRGKRZSA-N 264.328 3.666 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CCC[C@H](C)[C@@H]1C 165184209 JLWVLCRONJCICD-RVSPLBMKSA-N 256.393 3.781 30 20 CHED C[C@H]1Cc2c(ncn2CCCC(C)(C)C#N)C[C@H]1C 295911345 IYCRXKWUNRFVPV-OLZOCXBDSA-N 259.397 3.584 30 20 CHED CCCN(CC#N)Cc1csc(-c2ccsc2)n1 58910812 OWRJWFFQKHTHRV-UHFFFAOYSA-N 277.418 3.607 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3ccc(F)cc32)c(F)c1 301213698 YPKNTGARNWFEOR-OAHLLOKOSA-N 270.282 3.936 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cc(C)cc(C#N)c2)C12CCC2 308124895 YICRHZATVLMCPM-HZPDHXFCSA-N 270.376 3.626 30 20 CHED CS[C@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 439444188 AUVMSVRCDYZWDX-AWEZNQCLSA-N 294.851 3.929 30 20 CHED CC(C)OC1CCC(Nc2nc(Cl)c(C#N)s2)CC1 703821416 DUOJTSJBGNDDCY-UHFFFAOYSA-N 299.827 3.816 30 20 CHED CC[C@@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1Cl 399742109 JHTAMDPOSGSWBH-BXUZGUMPSA-N 262.784 3.832 30 20 CHED C[C@H](C#N)Sc1nccn1-c1cccc(Cl)c1 25243788 MVVWXKLSDFNPJG-SECBINFHSA-N 263.753 3.530 30 20 CHED Cc1cc(Nc2ccc([N+](=O)[O-])cc2C#N)ccc1N(C)C 29627316 RCFSZUWAMNXUNW-UHFFFAOYSA-N 296.330 3.585 30 20 CHED Cc1ccccc1C1CC(NCc2cccc(C#N)c2)C1 37748854 UERIHPNEPDWHFY-UHFFFAOYSA-N 276.383 3.903 30 20 CHED CC(C)c1ccc(C(=O)NCc2ccc(C#N)cc2)cc1 43749248 AKIACJGKEAYKIT-UHFFFAOYSA-N 278.355 3.612 30 20 CHED CCCC[C@H](CC)/C(O)=N/S(=O)(=O)c1ccc(C)cc1 46927407 PKIYAGLNKLTZHY-ZDUSSCGKSA-N 297.420 3.857 30 20 CHED C=C(C)CN(CC)C(=O)c1oc2ccc(F)cc2c1C 52819283 QCPPXPUTTBUWIL-UHFFFAOYSA-N 275.323 3.919 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)c1ccc(F)cc1F 57383590 ONUOOGQQPWJCOO-NSHDSACASA-N 292.329 3.616 30 20 CHED C=C(C)CN(CC)C(=O)Cc1coc2cc3c(cc12)CCC3 60624934 WDEOWHNPSBIOFC-UHFFFAOYSA-N 297.398 3.889 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 68081584 YBYGEGKAYVMVCA-LBPRGKRZSA-N 297.402 3.697 30 20 CHED COc1ccc(O)c(/C=N/Cc2cccc3cccnc23)c1 68726337 SLKIXKVDINRFSJ-XDHOZWIPSA-N 292.338 3.568 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC=CCC1 69209174 FACDZOLFDNMMDI-MRXNPFEDSA-N 284.403 3.741 30 20 CHED COc1c(C)cnc(CSc2ccc(C#N)cc2)c1C 74015927 WOMLJTVDGZRIHM-UHFFFAOYSA-N 284.384 3.871 30 20 CHED C[C@H]1CN(C(=O)c2cccc(C#N)c2)c2ccccc2S1 74878815 ZFCBCQAQNUVVGH-LBPRGKRZSA-N 294.379 3.699 30 20 CHED N#CCSCCCN1CCCC[C@@H]1Cc1ccccc1 74990062 PBJDOGCPXDGABI-QGZVFWFLSA-N 288.460 3.730 30 20 CHED N#CC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CCCCC1 76460695 PIZMRBCDKLTYJC-QGZVFWFLSA-N 296.414 3.598 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C)cc1OCCC 79643093 OBCGTKMAZDZPFP-UHFFFAOYSA-N 291.391 3.705 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccc(Cl)cc1Cl 86163098 ZYZNSXUIFCNYHL-MRVPVSSYSA-N 286.162 3.759 30 20 CHED CC(C)(C#N)CCCOc1ccc2c(c1)CCCC2=O 87598923 HZONFJKYTFCJNZ-UHFFFAOYSA-N 271.360 3.914 30 20 CHED C[C@H](c1ccccn1)N(C)c1ccc2cc(C#N)ccc2n1 91463607 WSRQCNSVCODECE-CYBMUJFWSA-N 288.354 3.699 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc([S@](C)=O)cc1 92261668 NBPVYXPSAYIJKC-OAQYLSRUSA-N 299.439 3.612 30 20 CHED C[C@H](C#N)Oc1ccc(CN2C[C@H]3CCCC[C@H]3C2)cc1 93441936 HIVBBNFCJWYXAN-OIISXLGYSA-N 284.403 3.599 30 20 CHED N#Cc1csc(CN2CCC[C@H]3CCCC[C@H]32)c1 93480737 IZCXBLOEOSLDGV-UKRRQHHQSA-N 260.406 3.774 30 20 CHED N#CCN(Cc1cc2cc(F)ccc2o1)C1CCCC1 93563126 BSIZIVGTBCEUNC-UHFFFAOYSA-N 272.323 3.840 30 20 CHED C[C@H](CNc1c(F)cc(C#N)cc1F)C(C)(C)C 96609850 WFFXIZWYVIPIGN-SECBINFHSA-N 252.308 3.931 30 20 CHED CC[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C(C)C 105754166 JYJFVGZFNCDWQD-STQMWFEESA-N 283.375 3.811 30 20 CHED CCCCCCCCNCc1ccc(S(C)(=O)=O)cc1 105894484 MNIUAZBQSDXOBK-UHFFFAOYSA-N 297.464 3.540 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 107394015 NETQPYBIXRAYNG-HNNXBMFYSA-N 274.408 3.972 30 20 CHED CCN(CC#N)C(=O)c1cc(-c2ccccc2)ccc1Cl 110255008 JZFPAXWSFQXPBX-UHFFFAOYSA-N 298.773 3.993 30 20 CHED COCCOc1ccccc1N[C@H](C#N)C1CCCCC1 115606130 COQAEFZBRKTQJD-MRXNPFEDSA-N 288.391 3.596 30 20 CHED CCCCCCCCC(=O)Nc1ccc(N)c(OC)c1 115859132 NZFVJTSFBXQFAW-UHFFFAOYSA-N 278.396 3.967 30 20 CHED Cn1cc(/C=C2\CCCc3ccc(Cl)cc3C2=O)cn1 117107708 RXEKCEYCTWLWRL-NTUHNPAUSA-N 286.762 3.676 30 20 CHED C=CCN(C)C(=O)N[C@H](CCCC)c1ccc(OC)cc1 119080876 VSLKWTKTRPGOJI-MRXNPFEDSA-N 290.407 3.754 30 20 CHED N#Cc1csc(CN2CCC[C@@H]2Cc2ccccc2)c1 124983070 NHCYDKLVWCBDJH-MRXNPFEDSA-N 282.412 3.827 30 20 CHED COc1cc(C#N)ccc1OC(=O)C(C)(C)C1CCCC1 130066722 LXLNEIRBOQBOSS-UHFFFAOYSA-N 287.359 3.689 30 20 CHED C=CCCN1CCC(c2nc3ccccc3o2)CC1 132348702 ALYWXFJZJRBYCH-UHFFFAOYSA-N 256.349 3.583 30 20 CHED C/C(=C/C(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 153557257 ACXKQKZZUNUPHP-BFFYNSAMSA-N 268.360 3.504 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cn1 153744695 XMXOSAODDHTINR-UHFFFAOYSA-N 279.387 3.672 30 20 CHED Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1 155140366 QTXVOKXOPVPDKU-NEPJUHHUSA-N 283.375 3.617 30 20 CHED CC(C)(C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 155550683 FOCRZSCWUSNUDD-UHFFFAOYSA-N 293.370 3.830 30 20 CHED CC[C@@H](C)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 156564952 PAVPKZZUUVZLHD-SNVBAGLBSA-N 264.756 3.611 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](COC)c1ccco1 156729535 HNOLYXTYFMIGIW-KGLIPLIRSA-N 251.370 3.692 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccccc1Br 157232129 MEAUAYLGKAMBSV-ZJUUUORDSA-N 254.171 3.674 30 20 CHED COc1cccc(COc2cccc(N[C@H](C)C#N)c2C)c1 157785970 XMMZDRMIHAQLOT-CYBMUJFWSA-N 296.370 3.907 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cn1 159723068 XZRRGNRLPKYYOY-UHFFFAOYSA-N 299.761 3.982 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(CC#N)cc1 159780322 JUCLOBKAYUAOCY-GJZGRUSLSA-N 296.395 3.865 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CCO1 160708459 STRNICSDMBYXPN-LBPRGKRZSA-N 298.308 3.947 30 20 CHED C=CC[C@@H](C)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 163308165 KISRBFLAKLNBCF-DOMZBBRYSA-N 262.353 3.990 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)C1CCCCC1 165278401 JFFKLCWSQCAUPY-AWEZNQCLSA-N 256.393 3.925 30 20 CHED C[C@@H](Sc1ccccc1Cl)C(=O)NCCCCC#N 171500953 NHDSQOURGZNNQB-LLVKDONJSA-N 296.823 3.631 30 20 CHED C=CCOc1cccc(NC(=O)N(C)C2CCCC2)c1 172294843 OTIYXXGVVYHFGR-UHFFFAOYSA-N 274.364 3.658 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1scnc1C)CO2 172818872 IOQCYXFPYBYKKJ-WUXMJOGZSA-N 285.368 3.727 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(SC)cc1 173389098 OKMMFTWTCZZOGQ-LBPRGKRZSA-N 267.463 3.978 30 20 CHED C[C@H](NCCCOC1CCCC1)c1ccc(C#N)cc1 174019957 ILPZGDZFAVJBHF-AWEZNQCLSA-N 272.392 3.558 30 20 CHED C=CCCCC(=O)N1CCC(Cc2cccc(F)c2)CC1 175353857 VAZOXXDOHDAJHD-UHFFFAOYSA-N 289.394 3.963 30 20 CHED CCC1(C(=O)Nc2ccc(Cl)c(C#N)c2)CCC1 176605056 SJRQZVOROIXWMW-UHFFFAOYSA-N 262.740 3.730 30 20 CHED Cc1cc(C)c(NC(=O)C#Cc2ccccc2)c(C)c1 177663169 ZZQOTTGMRQGQJY-UHFFFAOYSA-N 263.340 3.602 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1)C[C@H]1CCCO1 177755329 XIOTWUQFPLASIZ-QGZVFWFLSA-N 287.403 3.551 30 20 CHED CCN(Cc1ccc(F)cc1C#N)[C@H](C)c1cccc(O)c1 178380175 JFWBDBORHZZGLM-CYBMUJFWSA-N 298.361 3.986 30 20 CHED Cc1ccc(CNC(=O)Nc2cccc(C#N)c2C)cc1F 178583293 AOSAZROKQYSRMH-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CS[C@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 178641025 JCGZERKRQWFGHF-INIZCTEOSA-N 296.395 3.910 30 20 CHED C=CCCCC(=O)N1CCCCc2c(OC)cccc21 178889220 DJLGXNMHSDIDTE-UHFFFAOYSA-N 273.376 3.721 30 20 CHED CC1(CNCc2ccc(C#N)s2)Cc2ccccc2C1 179433044 JCWCFUIGTMFDFW-UHFFFAOYSA-N 282.412 3.514 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2CCO[C@@H](CCC)C2)c1 180180303 NECVYMAKYXABTB-WMZOPIPTSA-N 299.414 3.616 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2ncccc2c1 182632631 HCCZIHACCZSZEB-CYBMUJFWSA-N 268.360 3.709 30 20 CHED Oc1ccc2ccccc2c1/C=N/[C@H]1CCCOCC1 182699509 VBUNKSKWMZZJDT-QCUKBLKESA-N 269.344 3.533 30 20 CHED Cc1cccc2c(CC(=O)OCC3(C#N)CCCC3)c[nH]c12 183868245 SVOQEJUTDKRTDJ-UHFFFAOYSA-N 296.370 3.646 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCC[C@H]1CCCCO1 184307087 DEDPPLOSVOZCBQ-CXDFQFJYSA-N 298.386 3.709 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@H]1C 184685757 CIJOGYPYRYNRKE-BXUZGUMPSA-N 256.349 3.632 30 20 CHED CCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(C)c1 185722730 FILNOHRSNWLURL-UONOGXRCSA-N 258.365 3.888 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 185823465 BLUKPXLXLSFGKY-OAHLLOKOSA-N 298.430 3.514 30 20 CHED CCO[C@@H](CCN[C@@H]1CCC[C@H](C#N)C1)C1CCCC1 185851929 NNOMOHCHVKPLLL-UAGQMJEPSA-N 278.440 3.644 30 20 CHED CC[C@](C)(NCc1ccc(C#N)cc1C)c1nccs1 186296921 WJELYINWOXTXOT-INIZCTEOSA-N 285.416 3.738 30 20 CHED CC#CCCCC(=O)N(CC)[C@H](C)Cc1ccsc1 186381774 JVVJEUAQGXQHDH-CQSZACIVSA-N 277.433 3.721 30 20 CHED C=CC[C@@H](C(=O)N1CCC(C=C)CC1)c1ccccc1 187862628 JFTJUWYCNFPHQH-QGZVFWFLSA-N 269.388 3.771 30 20 CHED CC(C)CCN(CCC#N)c1ccc(C(F)(F)F)cn1 191580403 JZRTUUUJMUYRDI-UHFFFAOYSA-N 285.313 3.867 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(COC)cc1 192559955 NGMCOVWEBGQFQX-ZDUSSCGKSA-N 276.380 3.699 30 20 CHED COc1ccc([N+](=O)[O-])cc1O[C@H](C)c1cccc(C#N)c1 194624938 TTYDWGMIRFVYPL-LLVKDONJSA-N 298.298 3.615 30 20 CHED O=C(/C=C\c1ccc(O)cc1)c1ccc(OC(F)F)cc1 213898621 GSKCRNCDVBKMQW-KMKOMSMNSA-N 290.265 3.890 30 20 CHED CC[C@H](C)CC(=O)Nc1ccc(C#N)cc1Cl 233979323 GXHICLQRQUIRGD-VIFPVBQESA-N 250.729 3.586 30 20 CHED C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccsc1 235195329 OLFLQUBIMUHMNQ-SNVBAGLBSA-N 260.337 3.610 30 20 CHED Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H](C#N)C3)C2)cc1 248806610 KEIJRBYJFSXHIC-KURKYZTESA-N 297.446 3.636 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C\c1ccccc1 255055851 MESQJJXTPNQLQS-KHPPLWFESA-N 270.376 3.679 30 20 CHED CCn1nccc1/C=C\C(=O)c1cccc2ccccc12 255285892 SUPMZVHCYLLFKS-KHPPLWFESA-N 276.339 3.952 30 20 CHED COCCOc1ccc(/C=C\C(=O)c2cccs2)cc1 255582639 HHZIOVFBFVJOAL-TWGQIWQCSA-N 288.368 3.669 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](c1ccccc1C)C1CC1 264828874 HXRPUTJYTDWQSV-PBHICJAKSA-N 287.403 3.544 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1OC(F)F 265268532 FLHMHTJPRZXSFK-GHMZBOCLSA-N 298.333 3.613 30 20 CHED C=C1CCN(C(=O)C[C@H](C)c2ccccc2C)CC1 265295803 STGQNZFZEKOCBL-HNNXBMFYSA-N 257.377 3.667 30 20 CHED Cc1ccccc1CNC1(c2cccc(C#N)c2)CC1 269609539 LNCVROIMSKTJFK-UHFFFAOYSA-N 262.356 3.646 30 20 CHED C#CCCCNc1ccccc1C(=O)N(CCC)C(C)C 270967102 ZBSRHULYGLXWFS-UHFFFAOYSA-N 286.419 3.773 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N[C@@H]3CCO[C@@H](C)C3)c2c1 271350153 HETLDDSSMFFHSL-DZGCQCFKSA-N 295.386 3.703 30 20 CHED C=CCC[C@@H](CC)N[C@@H](CCOC)c1ccco1 272513052 GQULQWXFVHMXTI-KGLIPLIRSA-N 251.370 3.692 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(F)cc1Cl 276356368 XPJVYODDLYUMHP-UWVGGRQHSA-N 254.736 3.822 30 20 CHED C=CCCN(C)CCCC(=O)Nc1c(C)cccc1C 276494397 VJVDTHCPKNWMMT-UHFFFAOYSA-N 274.408 3.530 30 20 CHED CC(C)(C#N)CCCCN(CCCO)Cc1ccccc1 277737415 OPKFECXKIZNPCV-UHFFFAOYSA-N 288.435 3.591 30 20 CHED CC(C)=CCSCC(=O)Nc1cc(Cl)ccc1C#N 278084609 XNSUCUQSFBJZBG-UHFFFAOYSA-N 294.807 3.850 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 278283513 QJXRKKIVUGSKJH-HNNXBMFYSA-N 290.382 3.969 30 20 CHED CC(C)C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 280180423 PLMIRBGTUWVRFS-OAHLLOKOSA-N 298.430 3.996 30 20 CHED Cc1oc(C#N)cc1C(=O)N1c2ccccc2SC[C@H]1C 280982151 NKCJHGCSBGNHNI-SNVBAGLBSA-N 298.367 3.601 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC1CCC(C#N)CC1 282597229 FSSBCDUPIXLWHV-MUDYYLEHSA-N 296.414 3.545 30 20 CHED C=C(C)CCc1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 285105873 LPCHTVPHODOYEE-UPJWGTAASA-N 263.385 3.512 30 20 CHED CC[C@H]1CCC[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 286219932 SIKSNNFMGPZHBX-QFBILLFUSA-N 297.446 3.695 30 20 CHED Cc1csc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c1C#N 288884507 RSUMWIDKAVVAJQ-BXUZGUMPSA-N 262.378 3.549 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(CC2(C)CCCC2)no1 289233524 YUJBDYGCTRAACB-TZMCWYRMSA-N 276.380 3.641 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)CCCC#N 290888120 COXOSYHDMOPFMN-UHFFFAOYSA-N 284.359 3.647 30 20 CHED Cc1nc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)ccc1C#N 291943222 MZBRPNIJVAKDMO-IAGOWNOFSA-N 293.370 3.594 30 20 CHED Cc1nc(NC[C@H](C)c2nccs2)c(Cl)cc1C#N 292707578 SLGBBJPHMFBEBL-QMMMGPOBSA-N 292.795 3.587 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1c1cccc(C)c1 292788410 CIHZNKRUJPQAHD-QGZVFWFLSA-N 296.418 3.813 30 20 CHED C=C(CNC(=O)CCCC(=O)C(C)(C)C)c1ccccc1 295580294 VOXDPYZRYJCBSQ-UHFFFAOYSA-N 287.403 3.602 30 20 CHED C[C@H](COCC(F)(F)F)Nc1cccc(Cl)c1C#N 295611566 VLDRESFWLBJDCW-MRVPVSSYSA-N 292.688 3.591 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(OC(C)C)c1 297386479 WYXUMQHGSHHLSZ-UHFFFAOYSA-N 262.353 3.514 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1oc(C(C)C)nc1C 298026483 NAFLRQNYUJSTKN-UHFFFAOYSA-N 291.395 3.651 30 20 CHED CC1(C)CC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 300058422 XCBJWAZOMFLYTB-SSDOTTSWSA-N 255.774 3.659 30 20 CHED Cc1ccc(CNc2cccc(C#N)n2)c(OC(C)C)c1 301547484 FNUQGESHEUALDJ-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CSc1cc(C)ccc1CNc1nnc(C)c(C)c1C#N 301589687 CNDHXJHJFKGOJV-UHFFFAOYSA-N 298.415 3.608 30 20 CHED N#Cc1c(F)cccc1N1CCS[C@@H](c2ccccc2)C1 301775786 GNAOAOIIWCWZCZ-QGZVFWFLSA-N 298.386 3.992 30 20 CHED Cc1ccccc1CC(C)(C)Nc1cccc(C#N)n1 301823073 HOPOANFBXLZLFZ-UHFFFAOYSA-N 265.360 3.695 30 20 CHED N#Cc1ccc2nc(NC[C@@H]3CC=CCC3)ccc2c1 301991175 YCTPMVDAQJSTPN-CYBMUJFWSA-N 263.344 3.875 30 20 CHED C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@H]2CCCC[C@@H]12 302134003 CSALTNOZCSOIQF-SUNKGSAMSA-N 275.783 3.622 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H]1CCC[C@H](C)C1 303830051 GMHOLRCACODWOT-GJZGRUSLSA-N 287.403 3.694 30 20 CHED CCc1cccc(N/C(N)=N/CCc2ccc(F)cc2C)c1 304947322 QGRHJFCWZYCNCL-UHFFFAOYSA-N 299.393 3.666 30 20 CHED Cc1cc(NCc2ccccc2C(F)(F)F)cc(C#N)n1 308275361 FLHANZIFSBKRTI-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C[C@H]1CCCC[C@@]1(C)NCc1ccc(OCC#N)cc1 308727927 ZFHUVNWFRKVYNI-WMLDXEAASA-N 272.392 3.647 30 20 CHED N#Cc1ccc(OCc2sccc2Cl)c(F)c1 310265251 BKZGGEWOZITCDP-UHFFFAOYSA-N 267.712 3.991 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 311815757 DEARWVPHZBCBOH-UFBFGSQYSA-N 286.322 3.883 30 20 CHED C[C@H](C/C(O)=N/[C@@H]1CSC1(C)C)/N=C(/O)C1CCCC1 328676654 AEQDVLDMPILEKF-ZYHUDNBSSA-N 298.452 3.762 30 20 CHED C[C@@H]1CC(O)=N[C@H](C(O)=Nc2cccc(Cl)c2)C1 328743179 NGVVUZLPQGBRAL-KWQFWETISA-N 266.728 3.683 30 20 CHED CCc1noc(C)c1/C(O)=N/C(CC)(CC)CC 330907752 NZTLAGHVSNWDSG-UHFFFAOYSA-N 252.358 3.819 30 20 CHED CCC1(CC)CCC(/N=C(/O)c2ccnc(O)c2)CC1 331053133 JJHUNPXJJBMGTR-UHFFFAOYSA-N 276.380 3.841 30 20 CHED N#Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1 332774763 BZNVHWGOPHOYPH-FGTMMUONSA-N 296.414 3.781 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cccc(C#N)c2F)C1 335959097 FLMUNCZNZZIRCN-DYVFJYSZSA-N 295.361 3.675 30 20 CHED CC1(C#N)CCC(NCC2CCC(F)(F)CC2)CC1 336213265 MWVBCBMEEAJBQO-UHFFFAOYSA-N 270.367 3.874 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(-c2cccc(C)c2)c1C 337076880 SPPTYDOTVXRUFI-OAHLLOKOSA-N 297.402 3.574 30 20 CHED CC(C)n1ccc(CSCc2cccc(C#N)c2F)n1 340921852 XPQMCOADTJIDDZ-UHFFFAOYSA-N 289.379 3.908 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](CC)c1ccccc1 341185700 AYHAPXGTAZEJPQ-NVXWUHKLSA-N 288.435 3.540 30 20 CHED CCCCn1ncc(NCC(C)(C)CCC#N)c1C 341270304 VMBRPJMJWDDBCV-UHFFFAOYSA-N 262.401 3.734 30 20 CHED N#CCCCC[S@](=O)Cc1ccccc1C1CC1 341514110 QRKYJAAVWTZUMD-SFHVURJKSA-N 261.390 3.507 30 20 CHED C=CCSCc1cc2c(cc1Cl)OCCO2 341900949 MBJGRKIDAFIYKB-UHFFFAOYSA-N 256.754 3.530 30 20 CHED CC(C)=CCSc1ccccc1C(=O)NCCCC#N 342643015 SPGDXRZCYQQWDD-UHFFFAOYSA-N 288.416 3.778 30 20 CHED CC1(c2ccccc2)CCN(c2cc(C#N)ccn2)CC1 342786070 VCOCVVWDSCPMAR-UHFFFAOYSA-N 277.371 3.511 30 20 CHED Cc1cc(C)c2c(c1)CN(c1snc(C)c1C#N)CC2 343032972 OHVWJJNVCZNTBE-UHFFFAOYSA-N 283.400 3.503 30 20 CHED Cc1csc(CNc2c(F)cc(C#N)cc2F)c1 344621248 FQUMHTJHBABGSG-UHFFFAOYSA-N 264.300 3.819 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(C(F)(F)F)cc1 345944838 BGNSHAASTPQLBD-UHFFFAOYSA-N 298.308 3.765 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@@H]2CCC[C@@H](C)C2)no1 346254609 PBLMOBGVQLQGAH-MQYQWHSLSA-N 276.380 3.812 30 20 CHED COCCCCc1noc(-c2ccc(C(C)(C)C#N)cc2)n1 346343806 XUARNYIPFUZOCS-UHFFFAOYSA-N 299.374 3.507 30 20 CHED CC1(C)CC(NC(=O)NCCCCC#N)CC(C)(C)C1 346738887 CEEZHAXTCMKHRK-UHFFFAOYSA-N 279.428 3.584 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(COC)c1 353415031 DVXUNJDUURIRTR-UHFFFAOYSA-N 288.435 3.985 30 20 CHED C[C@@H]1CSC[C@@H]1N[C@H]1CCCCc2cc(C#N)ccc21 354019474 YTCVHFLSGMKWHI-DQYPLSBCSA-N 286.444 3.667 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1ncc([N+](=O)[O-])cc1C#N 354567235 DQTRWDNKTBRSTA-LBPRGKRZSA-N 296.330 3.651 30 20 CHED C[C@H]1CC[C@H](CNCc2cccc(OCCCC#N)c2)C1 355604050 YVCSWONYYBPHKN-RDJZCZTQSA-N 286.419 3.895 30 20 CHED C=CCCC1(C(=O)NCc2coc(-c3ccccc3)n2)CC1 356206807 BPIAOGGVVYOTLZ-UHFFFAOYSA-N 296.370 3.704 30 20 CHED C=CCC[C@H](NC(=O)CC#N)c1ccc(C(F)(F)F)cc1 357669694 WYFADPZXIVUJTN-ZDUSSCGKSA-N 296.292 3.743 30 20 CHED C=C(CC)CN(C)[C@@H](c1cccc(F)c1)c1cnn(C)c1 358494422 FRIOUSVRHLJMBC-KRWDZBQOSA-N 287.382 3.547 30 20 CHED C=CCCCC(=O)NCc1nc(C(C)C)c(C)s1 359136123 DRVHAJLDPAUITJ-UHFFFAOYSA-N 266.410 3.547 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)C1CCC(F)(F)CC1 360578297 DOJIIUWCALZHSX-UHFFFAOYSA-N 292.329 3.517 30 20 CHED C=CCSCc1cccc(C(=O)OC)c1Cl 362976002 INNUHHFJMKPHHS-UHFFFAOYSA-N 256.754 3.546 30 20 CHED C=CCCCCNC(=O)[C@H]1CCCc2sccc21 372112057 BRTFYUHARSKLQV-ZDUSSCGKSA-N 263.406 3.641 30 20 CHED CCCCCCCC(=O)N1CCC2(CCOCC2)CC1 375312430 CRLOZQLXTJSMKX-UHFFFAOYSA-N 281.440 3.766 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)CCC#N 376522404 MANOMWLWIQJRDV-CHWSQXEVSA-N 290.432 3.606 30 20 CHED N#CCCCCNC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 378591755 IZPZNGKFMYWTKH-FMQWLBJXSA-N 297.402 3.568 30 20 CHED CSC[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 381303914 BGXRAPYVGNRSNE-LLVKDONJSA-N 280.824 3.791 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(C#N)c(F)c2)C[C@H]1C 404147670 KJXDMWOPMYQIRQ-JMSVASOKSA-N 260.356 3.612 30 20 CHED CC(C)(C)[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 409718296 GHGCNRGIHMKALN-JTQLQIEISA-N 297.324 3.844 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCc1c[nH]c2c(C)cccc12 410826113 HJQCOKJJRIWYIV-OAHLLOKOSA-N 297.402 3.560 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(CSCC)cc1 410830614 WAAYTNGAZHFYLB-OAHLLOKOSA-N 290.432 3.704 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC12CCCC2 412836196 FRANIDJPNGTNLW-DLBZAZTESA-N 283.415 3.870 30 20 CHED CC(C)(CC#N)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 413410206 PGQZPJRPGRUYRB-UHFFFAOYSA-N 299.277 3.548 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C(C)C)C1CC1 413832529 IWUPNCJTABSBHH-MRXNPFEDSA-N 286.419 3.756 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC[C@H]2C2CC2)s1 414488934 UZNFSZMCXJWHAX-WFASDCNBSA-N 260.406 3.536 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cnn(C(C)(C)C)c1 414542695 YMDMSDLIQKCDFM-GOSISDBHSA-N 297.446 3.915 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 415690327 JIQKMSWYKSWBSC-AAEUAGOBSA-N 287.407 3.553 30 20 CHED CC1(C)CC(N[C@@H]2CCCc3cc(C#N)ccc32)C1 417365286 LYAAQFYWBKNBSK-MRXNPFEDSA-N 254.377 3.714 30 20 CHED COc1cc(CSCCCC(C)(C)C#N)ccn1 419634906 IQECXYVALXZXRL-UHFFFAOYSA-N 264.394 3.653 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(Cl)c(OC)cc1OC 425393656 CXMZDGQJKQXROJ-UHFFFAOYSA-N 297.782 3.898 30 20 CHED CCCCSc1ccc(Cl)cc1C(=O)NCCC#N 427635016 ZWRGXGXIYLTOOW-UHFFFAOYSA-N 296.823 3.876 30 20 CHED CCc1ccccc1NC(=O)[C@H](C#N)CCc1ccccc1 433226789 OXROCRKLVFOUCU-KRWDZBQOSA-N 292.382 3.960 30 20 CHED Cc1cc(C)c(CC(=O)N2CCCC(C)(C)[C@@H]2C#N)c(C)c1 434013875 DEVKFMLISVYQNN-KRWDZBQOSA-N 298.430 3.695 30 20 CHED Cc1ccc(C)c(NC(=O)COc2ccc(C#N)c(C)c2)c1 434650588 ONFGXODAYDHIHD-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(Cl)ccc1C#N 435583482 GYAYKUCAPVTOTK-DOMZBBRYSA-N 276.767 3.605 30 20 CHED CCCCN(CC#Cc1ccc(F)cc1)CC(F)(F)F 437144796 RURHBRLVHYGPDB-UHFFFAOYSA-N 287.300 3.842 30 20 CHED CN(CC#Cc1cccc(Cl)c1)CCc1cccs1 438193775 WDFJRAPIBLSVSI-UHFFFAOYSA-N 289.831 3.928 30 20 CHED CC(C)(C)OCc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 442774976 DQVZIVPZIKEINY-YOEHRIQHSA-N 286.419 3.784 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccnn1C1CCCC1 449023053 MVSYGKBCFBJAFI-UHFFFAOYSA-N 288.439 3.760 30 20 CHED CCSCc1cccc(NC(=O)c2cc(C#N)[nH]c2C)c1 449931998 QDRRLEQYQXLCPU-UHFFFAOYSA-N 299.399 3.700 30 20 CHED C=C(C)CCNC(=O)C[C@H](CC)c1ccc(OC)cc1 452719648 UHDHGWBRERQKIT-AWEZNQCLSA-N 275.392 3.661 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](CC)c1ccc(OC)cc1 452774533 LWNAPJLGTXIVRJ-CQSZACIVSA-N 289.419 3.907 30 20 CHED C=CC(C)(C)CNC(=O)C(C)(C)COCc1ccccc1 452783003 LDHRONUERWPPSP-UHFFFAOYSA-N 289.419 3.558 30 20 CHED Cc1cccc(CNc2cccc(OCCCC#N)c2)n1 453086085 UPYKFTYDIFKDQS-UHFFFAOYSA-N 281.359 3.685 30 20 CHED COc1cccc(C2(NC3CCC(C)(C#N)CC3)CC2)c1 453161273 CXFVTTRQEDRINB-UHFFFAOYSA-N 284.403 3.746 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)ccc1OC(F)F 453343015 DNLVXIMJWDHNGZ-YUTCNCBUSA-N 297.345 3.591 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cccs1 453343673 JGRJGXGZTQZSPQ-UPJWGTAASA-N 251.395 3.522 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)CC1 456141986 ZLCVEIVGNBSYBA-NWDGAFQWSA-N 289.341 3.922 30 20 CHED Cc1cccc([C@H](C)NC(=O)C2(C#N)CCCCC2)c1 457035936 KIKKEFCFKKWTRC-AWEZNQCLSA-N 270.376 3.646 30 20 CHED C[C@H](NC(=O)NCC(C)(C)CC#N)c1ccc(Cl)cc1 457463511 QGMRHXMOJPSYFI-NSHDSACASA-N 293.798 3.640 30 20 CHED CC(C)[C@@H]1C[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 459615815 ZGWZNPUDTJGGDX-SMDDNHRTSA-N 291.782 3.572 30 20 CHED C[C@H](NCc1ccc(CC#N)cc1)c1nc2c(s1)CCC2 459634190 QRWKVPHPKLRKTC-LBPRGKRZSA-N 297.427 3.549 30 20 CHED C[C@@H]1CCC[C@H](N2CCC(NCC(C)(C)CC#N)CC2)C1 459726308 DXPZGFFAFVSLJB-WBVHZDCISA-N 291.483 3.559 30 20 CHED C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccc(C#N)s1 459746227 IRBRCWSBWHQCJO-LBPRGKRZSA-N 288.391 3.822 30 20 CHED C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(CC)C(C)C 460931059 GSFBOWVZVNBVNY-UHFFFAOYSA-N 288.395 3.657 30 20 CHED CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ccc(F)cc1C#N 462864896 WZWXLDVCDYXICF-WBMJQRKESA-N 290.382 3.951 30 20 CHED CC(C)C[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 466745699 XBDLFQZWQSCCDA-GOEBONIOSA-N 256.393 3.987 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 466752738 HEGNQYKWRMUAAH-GOSISDBHSA-N 298.430 3.918 30 20 CHED C=C(C)COCCNC(=O)c1ccc(C(C)C)c(Cl)c1 466992574 XUXGPXKUGDDSAB-UHFFFAOYSA-N 295.810 3.786 30 20 CHED C=CCCCCNCc1c[nH]nc1-c1c(F)cccc1F 472040823 AOXMZRKDNSTLFW-UHFFFAOYSA-N 291.345 3.801 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1ccc2cc(OC)ccc2c1 472743771 BNZATRPTUFFPNP-GOSISDBHSA-N 299.414 3.607 30 20 CHED C=CCCCCNC(=O)Nc1cccc(Br)c1 473486705 GVBRZJKQMXEDFD-UHFFFAOYSA-N 297.196 3.927 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)NCc1cc(C#N)ccc1F 476121832 OWCDJYSNXXGTQM-DZGCQCFKSA-N 288.366 3.530 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2cc(C)ccc2O1 476538429 DWAAITLVNYKUAO-PBHICJAKSA-N 287.403 3.550 30 20 CHED CCc1cc(C(=O)N(C)c2ccccc2C#N)sc1C 479692447 PMSDKNPNPBAOMJ-UHFFFAOYSA-N 284.384 3.767 30 20 CHED C=CCCCCNC(=O)N1CCc2cc(Cl)ccc2C1 479745682 PFNCHOBJEKGWIZ-UHFFFAOYSA-N 292.810 3.764 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1[C@H]2CCC[C@H]21 485644981 PQBSLEYSUTZRAH-IMRBUKKESA-N 295.835 3.962 30 20 CHED C=CCN(CCC#N)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 488519721 PTMIZEJGEQJQMC-UHFFFAOYSA-N 299.252 3.520 30 20 CHED C=C(C)CNC(=O)N(Cc1ccccc1F)CC(C)C 488548168 KMMGHKSXCGTZQO-UHFFFAOYSA-N 278.371 3.569 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCOc1cccc(C)c1C 489647829 UXBMTKKPSWNWDG-GOSISDBHSA-N 289.419 3.791 30 20 CHED C#C[C@H](C)N(C)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 491812285 NMTSEOILZKPDER-RYUDHWBXSA-N 297.320 3.679 30 20 CHED C=CCCCCNC(=O)c1ccc(C(C)(F)F)cc1 500765234 XWKMLPRWMAEXNV-UHFFFAOYSA-N 267.319 3.884 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 505354237 VJBRJMBVBPFFTI-JXPOREOESA-N 299.414 3.672 30 20 CHED C=C(C)CCN1CCC(Oc2ccc(C)cc2)CC1 509689855 YYCKXUDBGUETAS-UHFFFAOYSA-N 259.393 3.804 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCc1ccc(O)cc1 509789789 HVWJZQWMASCUQN-UHFFFAOYSA-N 295.382 3.540 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC[C@@H](C)c1ccccc1 509928240 ROIZZNNSXJNAAN-CQSZACIVSA-N 292.382 3.790 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)c1cccc(C)c1C 520683980 JMNQTQKTOQXLKE-OAHLLOKOSA-N 275.392 3.638 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)c(OC)c1 523511594 ONKLEWGQMOBFTD-UHFFFAOYSA-N 275.392 3.822 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc2c1ccn2C 527487271 DJAALPBVZIPJTP-MRXNPFEDSA-N 256.349 3.719 30 20 CHED C=CCOc1ccccc1-c1nc([C@@H]2CC[C@H](C)O2)no1 528238658 MDVCDGIHKIAOLD-FZMZJTMJSA-N 286.331 3.541 30 20 CHED CC[C@](C)(NCc1ccc(C#N)cc1F)C(F)(F)F 532721098 XIYBDDNKQJWNMS-LBPRGKRZSA-N 274.261 3.518 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c(F)c1 532990231 TYFKQCAROKBUBS-KCYAQADSSA-N 284.378 3.612 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c(F)c1 532990233 TYFKQCAROKBUBS-RIUYPTKQSA-N 284.378 3.612 30 20 CHED CCN(C(=O)Cc1ccc(C)o1)[C@H](C)c1ccc(C#N)cc1 533121518 IMFVKMDJTQRAQB-CQSZACIVSA-N 296.370 3.612 30 20 CHED CCCOc1ccc(OCCn2cc(C)c(C#N)c2)cc1 533227865 JEVFCUROAYWTNC-UHFFFAOYSA-N 284.359 3.536 30 20 CHED CCN(C(=O)c1ccc(CC#N)cc1)c1ccc(F)cc1 534605484 OZCIIYAOQCTCQJ-UHFFFAOYSA-N 282.318 3.558 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCc1ccccc1C 538287239 WLYUDYWFGNCZLF-HNNXBMFYSA-N 274.408 3.582 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(C#N)cc1 538507223 OMWBWTHHXUQQHG-QWHCGFSZSA-N 293.345 3.981 30 20 CHED Cc1ccoc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 538727794 XVLVAWRTXBRDPG-IAGOWNOFSA-N 280.371 3.860 30 20 CHED Cc1ccc(O[C@@H](C)CN[C@H](C)c2cccc(C#N)c2)cc1 540593674 NBMWPUILBDIBMW-JKSUJKDBSA-N 294.398 3.985 30 20 CHED CCC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 543456785 AXFWURSCCABPLF-GFCCVEGCSA-N 290.794 3.864 30 20 CHED C=C[C@H](CC(=O)N(CC)CCC1CC1)c1ccccc1 546868562 GGWOLYXJELSUJW-MRXNPFEDSA-N 271.404 3.995 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(CCC(C)C)C1CCCC1 549841735 IZHXGEJLLBRTSJ-UHFFFAOYSA-N 299.418 3.693 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(OCC3CCCCC3)CC2)C1 549860614 PGEMPARJRZZDHV-DLBZAZTESA-N 290.451 3.740 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 552468720 XCXKOLPWHVTUGO-NVXWUHKLSA-N 296.414 3.880 30 20 CHED C=CCn1cccc1C(=O)NC[C@@H](c1ccccc1)C1CC1 554394400 GMYBCRRSLUPXLW-KRWDZBQOSA-N 294.398 3.598 30 20 CHED CC(F)(F)CN[C@@H]1CCCCc2cc(C#N)ccc21 559886173 MGNGAHQGEBZICN-CQSZACIVSA-N 264.319 3.571 30 20 CHED CCCOc1cc(C)ccc1NC[C@H](C#N)CCC#N 564864918 SZYLHXIXGRRPFX-AWEZNQCLSA-N 271.364 3.639 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 566050383 NFTXIKDKAARYOP-JSGCOSHPSA-N 298.777 3.750 30 20 CHED C=C(C)[C@H](NC[C@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1 567989142 ZHCLOZCTXNBAIN-COXVUDFISA-N 295.373 3.723 30 20 CHED C[C@H]1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C[C@@H](C)O1 574973839 PSGONMDAXGSRIW-QOIYZWAUSA-N 298.430 3.871 30 20 CHED N#Cc1ccc(CN(C(=O)C2CC3(CCC3)C2)C2CC2)cc1 576638064 PHMVXJZLFUINPW-UHFFFAOYSA-N 294.398 3.630 30 20 CHED C=CCC[C@@H](N[C@@H](CO)Cc1cccc(C)c1)c1ccco1 577382873 QRWRKNIRUBUXQK-QZTJIDSGSA-N 299.414 3.789 30 20 CHED C=CCC(C)(C)CN[C@H]1CCCc2c(O)cccc21 579383395 REMGCFFIAOHQPZ-HNNXBMFYSA-N 259.393 3.962 30 20 CHED CN(CCCc1c(F)cccc1Cl)CC(C)(C)C#N 584175736 JPBSYDCMPFFIMI-UHFFFAOYSA-N 282.790 3.893 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 586811904 GVHFQZJHJYRHAR-CYBMUJFWSA-N 284.281 3.892 30 20 CHED CC1(C#N)CCC(N[C@H]2CCc3cc(C#N)ccc32)CC1 590653715 AYWSVJZJIBYXPO-NXYGQSRBSA-N 279.387 3.608 30 20 CHED C[C@H](NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1cccc(C#N)c1 590673278 ZQGQEMDGUOQUSL-XJIUQZFPSA-N 284.403 3.808 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc2ccncc2c1 593453269 BXVBDBUEOUMIJG-UHFFFAOYSA-N 295.386 3.637 30 20 CHED CC(C)(C#N)CNC(=O)CCCc1ccc2c(c1)CCCC2 593593828 HOCQXLXJHUJWOI-UHFFFAOYSA-N 298.430 3.554 30 20 CHED CC[C@H](C#N)N(C)C(=O)CSc1ccc2ccccc2c1 594093380 OCPHFPNWGXRMNR-OAHLLOKOSA-N 298.411 3.692 30 20 CHED CCOc1cccc(Cl)c1CN(C1CC1)[C@H](C)C#N 595709698 ITSBMWCSCYZYLH-LLVKDONJSA-N 278.783 3.615 30 20 CHED C[C@H](C#N)N(CCCc1ccccc1Cl)C1CC1 595710903 WICZDKWPNHRQSH-GFCCVEGCSA-N 262.784 3.649 30 20 CHED C=CCCSCCNc1ncccc1Br 596413104 DXQCEKPKWHMENC-UHFFFAOYSA-N 287.226 3.565 30 20 CHED CC1(C)CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 597545154 NAHHGJYKLFANLH-CQSZACIVSA-N 276.424 3.936 30 20 CHED N#CC1(C(=O)Nc2ccc3ccn(C(F)F)c3c2)CCC1 598061903 QLWXKLFRPRKNBW-UHFFFAOYSA-N 289.285 3.669 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1nc(C)cc(C)c1C#N 598856971 KZICMCHPORPLGH-ZDUSSCGKSA-N 273.380 3.581 30 20 CHED Cc1csc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)n1 599044604 QRZBTBPSDHJRTQ-IAQYHMDHSA-N 283.400 3.661 30 20 CHED N#CC[C@H]1CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 600093149 LWPAHPCWUMGSIG-CQSZACIVSA-N 288.435 3.745 30 20 CHED C=CCCCCCN(C)C(=O)c1ccccc1CC#N 601214205 SULXGYZJMVYXCD-UHFFFAOYSA-N 270.376 3.571 30 20 CHED N#Cc1ccc(CNC(=O)C2CCC=CCC2)cc1Cl 602150857 LYJQRRIXUWMHJV-UHFFFAOYSA-N 288.778 3.574 30 20 CHED C[C@H](CCC#N)CNCc1csc(Br)c1 602510709 MDHMGECBTYUSFP-SECBINFHSA-N 287.226 3.540 30 20 CHED CC(C)[C@H](CNC[C@@H](C)CCC#N)c1ccccc1 602510805 OKWZZFPMPMQSCW-RDJZCZTQSA-N 258.409 3.956 30 20 CHED COc1ccc([C@H](NC[C@@H](C)CCC#N)c2ccco2)cc1 602686350 PLTHPBXZANLIQV-KSSFIOAISA-N 298.386 3.907 30 20 CHED CC(C)(CCC#N)CN1CCC2(CCSCC2)CC1 602736792 PFDNXMBCGKFXRD-UHFFFAOYSA-N 280.481 3.926 30 20 CHED Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(C)[nH]1 603972364 VZAIJIOUNSOJKL-UHFFFAOYSA-N 297.358 3.566 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCCC[C@@H]1C 606917500 XFOWTWNVYUZMDB-GJZGRUSLSA-N 266.429 3.953 30 20 CHED CCc1ccc(CSc2cc(C#N)ccn2)cc1 609750597 VLDWQHOORJAHCW-UHFFFAOYSA-N 254.358 3.808 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)C1CCCC1 610907345 HSEQCPKFJYTADY-GFCCVEGCSA-N 256.349 3.632 30 20 CHED CC(C)(C#N)CNC(=O)C1CCC(c2ccccc2)CC1 611693681 VDPMYABPXHBLSW-UHFFFAOYSA-N 284.403 3.626 30 20 CHED C[C@@H](Nc1ccccc1C[S@](C)=O)c1cccc(C#N)c1 613040904 GCOHERNCEKZKEA-ASSNKEHSSA-N 298.411 3.610 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 614534460 BZZOCVLGGJSROM-MLGOLLRUSA-N 292.338 3.945 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCCc3c(O)cccc32)C1 617780243 RCASWEKUWOGSAB-YOEHRIQHSA-N 299.414 3.627 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)c2cccc(OC)c2)C1 617786045 SPQFUODETNWMQB-HUUCEWRRSA-N 287.403 3.613 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccc(F)cc21 618803174 GZSSXQULQBIEPG-OALUTQOASA-N 292.357 3.962 30 20 CHED C=CCC1(NC(=O)CCCC2CCOCC2)CCCC1 619110788 PSVRPSPYYLCMTJ-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 619189627 DXULQSWCCCMHQY-IRXDYDNUSA-N 291.435 3.563 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@H](C)c2ccco2)C1 628062361 DHIRSLIHSCANCH-KGLIPLIRSA-N 261.365 3.588 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCCCc2cccs2)C1 660975197 YBXQZXDSUWURHU-CQSZACIVSA-N 292.448 3.678 30 20 CHED C=CCN(Cc1nc(-c2ccccc2)no1)C(C)(C)C 661755390 LXGGGPFVNFOKFK-UHFFFAOYSA-N 271.364 3.523 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)Cc1ccc(F)cc1 695731547 UVQGNPPVZAZKJL-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1[C@H](C)CO 696774409 FCANRCPHZZTMHM-CVEARBPZSA-N 283.456 3.747 30 20 CHED CCO[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1 721168432 OVTAPSIFJIAUQA-IAOVAPTHSA-N 272.392 3.557 30 20 CHED CCOCC(C)=NNc1ccccc1C(F)(F)F 726418375 ZTFWCLONNZCHFA-UHFFFAOYSA-N 260.259 3.530 30 20 CHED CCOc1cc(/C=C2\Cc3c(C)cccc3C2=O)ccc1O 729151928 YJLNELABBTVONL-NTEUORMPSA-N 294.350 3.922 30 20 CHED C#Cc1cccc(NC(=O)N2CCCc3sccc3C2)c1 730665122 DDWXFSSXOPLWBC-UHFFFAOYSA-N 296.395 3.710 30 20 CHED CC(C)(C)CC(=NNc1cnccn1)c1ccc(F)cc1 734298502 FPSFUHLVMTVLAB-UHFFFAOYSA-N 286.354 3.868 30 20 CHED C=CC[C@@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccncc1 734681550 WVLGXHKZQFTCBJ-SJORKVTESA-N 299.418 3.673 30 20 CHED C=CC[C@H](C)NC(=O)/C=C/c1ccccc1O[C@@H](C)CC 735068149 UDNUOTVAKMJKDS-SWBCYVRMSA-N 287.403 3.958 30 20 CHED CCCCCCN1CCCN(Cc2ccc(C#N)cc2)CC1 740873717 XPNUMEROMAURBG-UHFFFAOYSA-N 299.462 3.646 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)[C@@H]1CCOC1 741762739 NBRJKWRDXANZBD-SECBINFHSA-N 273.163 3.818 30 20 CHED C=C(C)CNC(=S)N1CCCCCc2ccccc21 741875062 UHPVCJNXLKWFBK-UHFFFAOYSA-N 274.433 3.670 30 20 CHED C=C(C)CCOC(=O)COc1cc(C)ccc1Cl 744303790 WGIRYHHAJCHYLX-UHFFFAOYSA-N 268.740 3.537 30 20 CHED CC(C)(C)c1ccc(C/N=C/c2ccc(O)c(O)c2O)cc1 745623905 CCUNARGYDFFFPA-YBFXNURJSA-N 299.370 3.720 30 20 CHED COc1ccc(C(C)(C)C/N=C/c2ccccc2O)cc1 745626076 IHHHIBZJTKEYJH-XDHOZWIPSA-N 283.371 3.798 30 20 CHED CCOc1ccc([N+](=O)[O-])cc1C=NNc1ccc(C)cc1 748579459 HTZOMWVQAYKRBJ-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C[C@H](OC(=O)CCC(C)(C)C)c1ccc(C#N)cc1 748686375 WQWRBWYUFMZKKI-LBPRGKRZSA-N 259.349 3.989 30 20 CHED C/C=C/COc1ccc(CCC(C)=NOCCOC)cc1 748789245 DZKXRBAACROCRG-HYQPTBTRSA-N 291.391 3.613 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CC12CCOCC2 748844415 RYEIMQOJBDBWEG-JKSUJKDBSA-N 295.467 3.916 30 20 CHED C[C@H](C(=O)OCc1cc(C#N)ccc1F)C1CCCC1 750206728 RJSSNXAZNABANT-NSHDSACASA-N 275.323 3.567 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)s1)c1ccccc1 750397362 MVWGWAJBLPVNNU-ZDUSSCGKSA-N 271.341 3.928 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C1CCCC1 750682378 XKRMENITWYWBHI-YPMHNXCESA-N 281.359 3.565 30 20 CHED C#CCN(CC)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 752000447 ZRKZARSGKQNCFQ-UHFFFAOYSA-N 299.805 3.561 30 20 CHED O=C(/C=C\c1cccs1)c1cc([N+](=O)[O-])ccc1F 752875458 QAMMQHNXRQFQEA-XQRVVYSFSA-N 277.276 3.692 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 753259033 NQZBVSRKKCFALV-RDJZCZTQSA-N 284.403 3.508 30 20 CHED C#C[C@@H](CC)NC(=O)c1cc2c3ccccc3n(C)c2s1 754353894 FDWFOFUTQHNHAG-NSHDSACASA-N 296.395 3.535 30 20 CHED C#C[C@@H](CC)NC(=O)CCCc1ccc2ccccc2c1 754373329 JEJIFGLONRSLOT-SFHVURJKSA-N 279.383 3.691 30 20 CHED C=CCc1cc(OC)cc(CN(C)CC(C)(C)C)c1O 754731403 AOUDLRZOVPSZIV-UHFFFAOYSA-N 277.408 3.607 30 20 CHED C(=NOCc1ccccc1)c1cccc2[nH]ccc12 755632051 LZXIIIWUEYHIMA-UHFFFAOYSA-N 250.301 3.719 30 20 CHED Fc1cc(F)c(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)cc1F 755730785 NFRKSOKATMMCRB-GUBZILKMSA-N 266.266 3.714 30 20 CHED FC(F)(F)c1cccc(C=NO[C@@H]2CCCCO2)c1 755813966 JSZIZTMDIXOYHF-GFCCVEGCSA-N 273.254 3.583 30 20 CHED C#CCOc1ccc(F)cc1NCc1cc(F)cc(F)c1 756029750 NTYQKLNBWSGQTI-UHFFFAOYSA-N 291.272 3.728 30 20 CHED C=C(C)[C@H](CC(=O)OC[C@H]1CC=CC[C@@H]1C)OCC 756489350 SRQDUNIFZVTQDS-ZNMIVQPWSA-N 266.381 3.503 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cc(F)ccc2F)s1 757475196 PUIFLTXACRSIEF-GQCTYLIASA-N 275.279 3.794 30 20 CHED CCCCCC1=C(C)CCC1=NNC1CCOCC1 757600029 YKFWFXRLNZIYEL-UHFFFAOYSA-N 264.413 3.802 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccc(C)nc1C)c1ccccc1 757896669 UUAIMSLXHQWYNA-QGZVFWFLSA-N 293.370 3.585 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(N)cc1C 758108399 TZZBTLKSRLPNPV-UHFFFAOYSA-N 267.376 3.976 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1nc(Cl)cs1)C2=O 759077170 RSSJZSZKJGRCCD-UXBLZVDNSA-N 275.760 3.927 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(F)cc2F)c1 759209957 LEIWGAVGSUXBEU-UHFFFAOYSA-N 294.276 3.949 30 20 CHED COc1cc(F)cc(NN=C/C=C\c2ccccc2)c1 759210553 RCWIUNBYWLITBY-PVKCIBLZSA-N 270.307 3.945 30 20 CHED CCC(=CC(=O)Nc1sc(C)c(C)c1C#N)CC 759276890 GOSRARBHADLKPT-UHFFFAOYSA-N 262.378 3.922 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(C)c(F)c1)C2=O 759664698 LRMQGUONNSZRNU-MDWZMJQESA-N 282.314 3.965 30 20 CHED Clc1ccc(C=NOCc2ccnc(Cl)c2)cc1 760415709 BIRZYGXJYQLJQN-UHFFFAOYSA-N 281.142 3.939 30 20 CHED C=CCCc1nc(Cc2nc(-c3ccccc3)oc2C)no1 761504067 KKGZWMQFGJNPAP-UHFFFAOYSA-N 295.342 3.742 30 20 CHED Fc1ccc2nc(C=NNCc3ccccc3)sc2c1 761770286 UEFZBCJSXITODA-UHFFFAOYSA-N 285.347 3.559 30 20 CHED C#CC[C@H](NC(=O)[C@H](CCC)C(C)C)c1ccccc1 764232739 JSZGSXQCXOZXKD-SJORKVTESA-N 271.404 3.940 30 20 CHED Cc1ccc(F)c([C@H](C)OC(=O)c2cccc(C#N)c2)c1 764330549 DJQLEDVZXSHITM-LBPRGKRZSA-N 283.302 3.924 30 20 CHED Cc1ccc(C(=O)OCC(C)(C)CC#N)cc1-n1cccc1 764834866 MUHRHJUKPCMVIQ-UHFFFAOYSA-N 296.370 3.882 30 20 CHED Cc1cncc(C(=O)/C=C\c2cc(Cl)cc3c2OCC3)c1 767365786 BBQYMOCVHSBFLW-IHWYPQMZSA-N 299.757 3.874 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1cscn1 767908009 JQLFRTXYYUNYEF-UHFFFAOYSA-N 283.303 3.581 30 20 CHED CCCN(CC1CC1)C(=O)c1ccccc1SCC#N 768228237 HLXXMNZGDIOYPR-UHFFFAOYSA-N 288.416 3.564 30 20 CHED COc1ccsc1C(C)=NNc1ccccc1F 769774398 KVTXAQNSGJIZLD-UHFFFAOYSA-N 264.325 3.732 30 20 CHED C=C(Cl)COC(=O)C1(CCOCc2ccccc2)CC1 770613982 WVLHLQWMFYVOKZ-UHFFFAOYSA-N 294.778 3.669 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1c(F)cccc1F 773126925 WYUXUUSBCQJLCE-AWEZNQCLSA-N 266.335 3.857 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/C=C\c1ccc(F)cc1 773160035 KVLCLMYWNSFDAP-AYFYJWBDSA-N 290.297 3.746 30 20 CHED Fc1ccccc1-c1n[nH]cc1C=NOC1CCCC1 774602273 HBVKCOKDUAWSDU-UHFFFAOYSA-N 273.311 3.509 30 20 CHED Brc1ccccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774605872 BMIDTXZUVIWLSI-MJVIPROJSA-N 293.208 3.561 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1cccnc1 776782358 JDVZHAPUPNBPHO-UHFFFAOYSA-N 276.343 3.774 30 20 CHED C[C@H](C[C@@H]1CCOC1)Nc1cccc(OCCCC#N)c1 776842092 TXHWSRIXZWSDAV-CABCVRRESA-N 288.391 3.596 30 20 CHED CCC[C@]1(C)CCCN(C(=O)Cc2ccccc2CC#N)C1 777405422 KOYMVNRXAVLWMT-LJQANCHMSA-N 298.430 3.724 30 20 CHED CC(=NOC1CCCCC1)c1cccc([N+](=O)[O-])c1 777456657 DZCATVKZEWFNDM-UHFFFAOYSA-N 262.309 3.668 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cc(Cl)ccc1O 777913057 HNGXHNWLUPGDLT-UHFFFAOYSA-N 296.157 3.930 30 20 CHED C=C(C)CN(C)Cn1cc(-c2ccccc2)n(C)c1=S 777965479 WRIPMSLYCOGCKY-UHFFFAOYSA-N 287.432 3.688 30 20 CHED CCCCCCC(C)=NNc1ncncc1Cl 780283005 SZGMPQUEYYTWQE-UHFFFAOYSA-N 254.765 3.888 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@H](C)[C@@H]2C)n1 781126158 APRRCHHHTIBSRN-IUCAKERBSA-N 266.776 3.662 30 20 CHED Fc1cccc(NN=Cc2cc(Cl)cs2)c1 782200431 FSWKRMMBJWUNFN-UHFFFAOYSA-N 254.717 3.987 30 20 CHED CO[C@H](C(C)=NNc1nccnc1C(C)C)c1ccccc1 782284877 LNSOGXRADJHSIY-MRXNPFEDSA-N 298.390 3.776 30 20 CHED COc1cc(C)c(C=NN[C@H]2CCCC2(C)C)cc1OC 782303802 ZZKICOZZGQZRPJ-INIZCTEOSA-N 290.407 3.514 30 20 CHED Cc1cc(COC(=O)[C@H](C)C(C)(C)C)ccc1C#N 783681512 IQYICPIJIVUZAY-LBPRGKRZSA-N 259.349 3.592 30 20 CHED Cc1ccnc(NN=C2CCOc3ccc(Cl)cc32)c1 783855925 VLCXKUBKJOITCO-UHFFFAOYSA-N 287.750 3.642 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C\c1ccc2[nH]ccc2c1 785856157 HIBZGLGSNCKWPP-DZFYGRHCSA-N 280.371 3.748 30 20 CHED Cc1ccc2nc(/C=C3\Cc4cc(F)ccc4C3=O)cn2c1 789144953 XTPBJYWCGIYDIZ-MDWZMJQESA-N 292.313 3.604 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 791059975 XMMKJOSCLAKXQK-WFASDCNBSA-N 292.810 3.844 30 20 CHED C=C(Cl)CN1CCc2cc(Br)ccc2C1 792308855 PJYWKTJWYYRMAV-UHFFFAOYSA-N 286.600 3.560 30 20 CHED CC(=NNCC1(C)CCCC1)c1ccc2c(c1)COC2 793080975 FWTCPKTZNFXLLF-UHFFFAOYSA-N 272.392 3.611 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNc1ncncc1F 793210944 OZRNIVDPNNRMDK-NSHDSACASA-N 264.348 3.620 30 20 CHED CC(=O)c1ccc(-c2ccc(C(=O)OC(C)(C)C#N)o2)cc1 794272268 HSODXOSHTKJLMZ-UHFFFAOYSA-N 297.310 3.608 30 20 CHED CC(=NOCc1ccon1)c1csc(-c2ccccc2)n1 794539556 YHAKBRVPRHNBLC-UHFFFAOYSA-N 299.355 3.739 30 20 CHED Cn1cc(C=NNc2ccc(C#N)cc2)c2cc(F)ccc21 794854500 XKFMCOZYFLWFNO-UHFFFAOYSA-N 292.317 3.635 30 20 CHED FCC[C@H]1CCCC1=NNc1ccc(Cl)nc1 794913752 ANQMARVOUPVEAE-SECBINFHSA-N 255.724 3.663 30 20 CHED COCCCON=C(C)c1ccc2cc(OC)ccc2c1 795042678 VBUHGGZVICGBRQ-UHFFFAOYSA-N 287.359 3.626 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1nc(C2CC2)cs1 797256094 YBIXUFGTZTYIBH-OTYXRUKQSA-N 278.377 3.565 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNc1ccc(OC)cn1 797403706 WIVOEFGSRXMRGE-VXGBXAGGSA-N 261.369 3.704 30 20 CHED C#CCCCOC(=O)CC1CC(c2ccccc2)C1 798734716 JNEFQADFVJWWBE-UHFFFAOYSA-N 256.345 3.527 30 20 CHED N#Cc1cc(NCCC(F)(F)F)ccc1OC(F)(F)F 799594139 MSQLIRHQVREXQL-UHFFFAOYSA-N 298.186 3.821 30 20 CHED CC[C@@H](C)n1ncc(Nc2nc(Cl)c(C#N)s2)c1C 804648529 FBMIMNSQVUZHDJ-SSDOTTSWSA-N 295.799 3.888 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1csc(C(C)C)n1 804830845 APJRRWLDHRWNMY-UHFFFAOYSA-N 298.411 3.542 30 20 CHED C=CCCCCCCNC(=O)N[C@H]1CC[C@H](SC)C1 805160574 ZRSAWOCKJHHQMW-KBPBESRZSA-N 284.469 3.706 30 20 CHED C=CCCCCCCNC(=O)Nc1cnn(C(F)F)c1 806383522 JGZNCCOKSAZXPF-UHFFFAOYSA-N 286.326 3.536 30 20 CHED C[C@@H](/N=C/c1c(O)ccc2ccccc12)C(F)(F)F 806552682 WQZISWZXUUMRIT-SEYNJHBTSA-N 267.250 3.915 30 20 CHED C=CCCCCCCCCNC(=O)c1cc(C#N)c[nH]1 807843577 BFBPNCUCFYGUCA-UHFFFAOYSA-N 273.380 3.533 30 20 CHED Clc1ccc(C=NNc2nccnc2C2CCC2)cc1 807992012 XXMIIOKGDLDEFK-UHFFFAOYSA-N 286.766 3.844 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1C)C(C)(C)C 808315447 FNISSPRBUQRGKM-DLBZAZTESA-N 298.430 3.889 30 20 CHED CC(C)(C)OCCCC(=O)Nc1ccc(C#N)cc1Cl 808572552 GVJWBGXLEUMYTC-UHFFFAOYSA-N 294.782 3.745 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cnccn1)CC2 809156343 ATFJTOCVONQKRQ-OQLLNIDSSA-N 278.355 3.813 30 20 CHED C#Cc1ccc(CN2CCCc3sccc3C2)cc1 809573286 GXVQEHFXOQYEED-UHFFFAOYSA-N 267.397 3.678 30 20 CHED C=CCOc1ccccc1CNC(=O)C1(F)CCCCC1 810381880 ZHCUWVDQPFANFC-UHFFFAOYSA-N 291.366 3.540 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(Cl)c(OC)c1 810708323 PPNSWERLVLSNNL-UHFFFAOYSA-N 299.757 3.511 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CC(=NOC1CCC1)CC3 812235874 RSIYNWPIMWEFKF-UHFFFAOYSA-N 268.360 3.890 30 20 CHED CC(C)OCCON=Cc1cc2ccccc2s1 812238148 SXKXQKZNANPSKX-UHFFFAOYSA-N 263.362 3.677 30 20 CHED C[C@H](OC(=O)CCCC#N)c1ccccc1Br 812614100 FWSMKMRUKAPGIR-JTQLQIEISA-N 296.164 3.747 30 20 CHED C#Cc1ccccc1CC(=O)N(CCCC)[C@@H](C)CC 812894167 GOLRREXGTAMACI-HNNXBMFYSA-N 271.404 3.638 30 20 CHED Cc1nc(SCCSC(C)(C)C)ccc1C#N 813605806 PVZBDFYGVVIEIZ-UHFFFAOYSA-N 266.435 3.886 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CS[C@@H](C(C)C)C2)o1 814820521 GYHYVGTZVCHHCH-GFCCVEGCSA-N 292.408 3.599 30 20 CHED CCC(=NNc1cccc(F)c1F)c1cccc(N)c1 814859556 STUDHEUEPUXUGC-UHFFFAOYSA-N 275.302 3.773 30 20 CHED N#Cc1ccc(NN=Cc2ccc(Cl)o2)cc1Cl 814901165 AYERWGLWPGFOQD-UHFFFAOYSA-N 280.114 3.904 30 20 CHED N#Cc1sc(N2CC(C3CCCCC3)C2)nc1Cl 814940312 HFJPWNYTKPBXAC-UHFFFAOYSA-N 281.812 3.685 30 20 CHED C[C@@H](NN=C1CCC[C@H](c2cccnc2)C1)c1ccncc1 819818682 OXJZRJYSUYDUSI-ZBFHGGJFSA-N 294.402 3.841 30 20 CHED CC(=NNc1ccc(C(=O)O)c(Cl)c1)c1ccsc1 833386850 ZCJJBWKOOIJCRA-UHFFFAOYSA-N 294.763 3.936 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(C3CCC3)cc2)cn1 834420997 MZOAJIAHXDQIFU-JXMROGBWSA-N 266.344 3.584 30 20 CHED CCCCCCCCCCC(=O)N[C@@H]1CCCNCC1 834579124 NCJLYNOWHYLNCZ-MRXNPFEDSA-N 282.472 3.776 30 20 CHED CC(C)ON=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] 835000676 PVNFPCNOQOZICG-GFCCVEGCSA-N 276.336 3.718 30 20 CHED CCn1cc(C(C)=NNc2c(C)cccc2Cl)cn1 835011026 MQEHZLYTDAVCDF-UHFFFAOYSA-N 276.771 3.701 30 20 CHED CC(C(=O)Nc1cc(C)cc(C#N)c1)=C1CCCC1 837141714 KXGWOKHTBXLGQN-UHFFFAOYSA-N 254.333 3.696 30 20 CHED Cc1cc(C(=O)OCCCCC(C)(C)C#N)nn1C(C)C 838108062 PJCQYUXDSAPEOE-UHFFFAOYSA-N 291.395 3.649 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839049802 SLHFHMGFGWTMGK-XPKDYRNWSA-N 289.350 3.630 30 20 CHED N#CCCOCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 839185191 WRVZMQDTSVZKRC-SFHVURJKSA-N 298.430 3.924 30 20 CHED N#C[C@@]1(C(=O)O[C@H]2CCOc3ccccc32)CC12CCCC2 839312336 LKDNQTYGLCGYFQ-MAUKXSAKSA-N 297.354 3.527 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1oc(CCC)nc1C 839362224 BYTRUYQHIJTJQK-HNNXBMFYSA-N 265.353 3.581 30 20 CHED CC[C@H](CNC(=O)c1ccc(C)c(C#N)c1)CC(F)(F)F 839842082 HOHVFDBJVTZADK-NSHDSACASA-N 298.308 3.575 30 20 CHED CC(C)(C)SCCSc1ncc(C#N)cc1F 840294853 LUZHOMJTRUARGF-UHFFFAOYSA-N 270.398 3.716 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)CCCc1cccnc1 840712121 WBWOAZOQUHLHHU-GNUZOCDUSA-N 298.386 3.626 30 20 CHED CCO[C@H]1C[C@@H](/N=C\c2c(O)ccc3ccccc23)C1 840712567 ZPUJYOBDPGMYNP-YXWGGCJOSA-N 269.344 3.532 30 20 CHED CC(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)=C1CCC1 841368928 QJBRNVQKAOOYPQ-QGZVFWFLSA-N 280.371 3.552 30 20 CHED N#C[C@H](C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nc2ccccc2o1 845445983 NZOAEIJTWGFJHL-XJFOESAGSA-N 292.338 3.606 30 20 CHED C[C@@H](NC1(C2CCC2)CC1)c1ccc(OCC#N)cc1 846199723 CCXBWFZDNYUFQG-CYBMUJFWSA-N 270.376 3.572 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C(C)=C\c1ccccc1Cl 847167971 KESMSLDYNIHNNK-FUWURINLSA-N 276.767 3.504 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2C(C)C)n(C)n1 848642511 GSPZXTPNOFFSGC-MDZDMXLPSA-N 268.360 3.748 30 20 CHED CCn1nc(C)c(/C=C2\Cc3cc(C)cc(C)c3C2=O)c1C 848642986 OSQCCWFXCPGJAT-MHWRWJLKSA-N 294.398 3.959 30 20 CHED C=CCCSCCN[C@H](C)c1c(C)cc(C)cc1O 850502513 RRLMXTATWIRHEA-CQSZACIVSA-N 279.449 3.969 30 20 CHED CC(C)c1cnc(C=NNc2ccnc(Cl)c2)s1 853395196 OMZQLAHDQKXWJP-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 860689792 UHBGTRSWMVUMPR-OTRWWLKZSA-N 280.408 3.585 30 20 CHED Clc1ccc(CNN=Cc2c[nH]c3ccccc23)cc1 864026780 CTTBHTXAQHGETH-UHFFFAOYSA-N 283.762 3.945 30 20 CHED Cc1sc2ncnc(NN=C3CC[C@@H]4C[C@H]34)c2c1C 872330427 OCRVIVOEWLCRBW-ZJUUUORDSA-N 272.377 3.506 30 20 CHED Cc1ccc(CN[C@@H](CCC#N)c2ccccc2)c(O)c1 877116658 SQBHLQLKKWSNQJ-KRWDZBQOSA-N 280.371 3.835 30 20 CHED Cc1ccc(N2CCC(c3ccsc3)CC2)c(C#N)n1 882205243 IQQTYMGOLZRJTH-UHFFFAOYSA-N 283.400 3.707 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@H](CF)C3)c2c1 882841243 QDUCIRGJLWMEHG-CYBMUJFWSA-N 283.350 3.519 30 20 CHED C=C1CCC(c2nc(-c3ncccc3C)no2)CC1 895999728 JJSUOAIRSJJPOP-UHFFFAOYSA-N 255.321 3.654 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(CN(CC)CC)cs1 898312829 OOSUHMISCHBLNQ-HNNXBMFYSA-N 295.452 3.526 30 20 CHED CCn1cc(/C=C2\CCc3cc(F)ccc3C2=O)c(C)n1 899361334 YRUYXXOVYZSWBW-MDWZMJQESA-N 284.334 3.563 30 20 CHED C=CCCC(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901380178 NVCUWJVDTURMOW-UHFFFAOYSA-N 274.147 3.677 30 20 CHED C=C[C@@H](CC)CC(=O)N(c1nc2ccccc2o1)C1CC1 905864420 JVAHJJVEPDXNLY-LBPRGKRZSA-N 284.359 3.926 30 20 CHED CC1(C)CN(C(=O)c2ccsc2C#N)c2ccccc21 906974029 XKPBMWFJBOAHAN-UHFFFAOYSA-N 282.368 3.558 30 20 CHED CC(=O)c1ccccc1C(=O)OCCCCC1(C#N)CCC1 909066376 YDCSVNYTKHHADI-UHFFFAOYSA-N 299.370 3.910 30 20 CHED C=CCOC(=O)CCOc1ccccc1-c1ccccc1 914825484 GHQZPBUSQMEQLI-UHFFFAOYSA-N 282.339 3.852 30 20 CHED CCCCNN=Cc1ccc2cc(OC)ccc2c1 915966243 NPLXUEJMCHLZFG-UHFFFAOYSA-N 256.349 3.572 30 20 CHED CCCCNN=Cc1c(C)nn(Cc2ccc(C)cc2)c1C 915970066 WHBWAFABKHOAQH-UHFFFAOYSA-N 298.434 3.580 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc2c(c1)OCCO2 916346138 VXLHADUZWMGJTA-UHFFFAOYSA-N 296.370 3.911 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CC[C@@H]1c1ccccc1 918573558 XUDXWNVCSZWKHR-RXQFDZFGSA-N 288.350 3.545 30 20 CHED C=C(Br)COC(=O)CCc1ccc(CC)cc1 918886830 AHSSECKHSYMELR-UHFFFAOYSA-N 297.192 3.633 30 20 CHED CCCCCCCCC(=O)OCC(=O)N1CCCC[C@H]1C 919222286 UUJOOTYSLGRAAU-OAHLLOKOSA-N 297.439 3.681 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1scnc1C 920375451 ZQSSXKHJNAVEME-UHFFFAOYSA-N 267.304 3.566 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(-c2ocnc2C)cc1 928817452 BDICTLVULCVWPS-UHFFFAOYSA-N 297.358 3.919 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1ccc2cc[nH]c2c1 935743589 LNKNYMOXQGFVDQ-LBPRGKRZSA-N 256.349 3.733 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1coc(-c2ccccc2)n1 1116718111 YKUJOWPTBNKSOP-SFHVURJKSA-N 298.386 3.603 30 20 CHED C=C(C)CCC(=O)NC(C)(C)c1ccc(F)c(F)c1 1120708097 RDRKEHGCTQFJAN-UHFFFAOYSA-N 267.319 3.672 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCCCc1ccccc1 1121253709 VUCLAAZLYQUZAS-MRXNPFEDSA-N 272.392 3.550 30 20 CHED C=C(CC)C(=O)N1[C@@H](C)c2ccc(F)cc2C[C@H]1C 1123775702 BUFUKMRAUJYDNZ-NEPJUHHUSA-N 261.340 3.626 30 20 CHED CN(C(=O)c1cccc(C2CC2)c1)c1ccccc1C#N 1127129054 GOWKIYYMENILGN-UHFFFAOYSA-N 276.339 3.712 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(Cl)cc1Cl 1135396403 NEJQEQPJUWMTKZ-UHFFFAOYSA-N 294.141 3.754 30 20 CHED Cc1nc(C#N)cc(N[C@@H](c2ccccc2)C2CCC2)n1 1185290541 JCJRVTSMONPXFN-KRWDZBQOSA-N 278.359 3.610 30 20 CHED Cc1cc(C#N)cc(NC(=O)Nc2ccccc2C)c1 1202187075 SKYWQXNSJGCUGZ-UHFFFAOYSA-N 265.316 3.819 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 1262602876 PCGWMJZDXCYLRZ-INIZCTEOSA-N 289.375 3.539 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1cnc(Cl)cc1C#N 1262797459 OMFKGXYKHJLUEM-MNOVXSKESA-N 291.782 3.762 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C[C@H](C)CC(C)(C)C 1263616747 HBVSLGCBJQNTGP-STQMWFEESA-N 275.396 3.542 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)cc1 1275985007 ZITLDHSTIMJWMM-RDJZCZTQSA-N 284.403 3.895 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccoc1C1CC1 1279076560 ANEAIZJVGBSMPK-UHFFFAOYSA-N 286.718 3.934 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C(C)(C)Oc1ccccc1 1318867326 NPQHCUJYHBDCEK-UHFFFAOYSA-N 294.354 3.663 30 20 CHED N#CCOc1ccc(NC[C@H]2CCOc3ccccc32)cc1 1320075276 CSYBHMVOLMIXPO-CQSZACIVSA-N 294.354 3.567 30 20 CHED N#Cc1ccnc(/C=C/c2cccc(Br)c2)c1 1321037211 NMRQPZNGEAHSHP-SNAWJCMRSA-N 285.144 3.886 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1ccccc1F 1321273993 UFYXQQXHQHKARM-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc2ccccc2s1 1321624576 DEQKVUJSACIRBW-DGCLKSJQSA-N 261.390 3.753 30 20 CHED C[C@H]1CCc2nc(CNc3ccc(CC#N)cc3)sc2C1 1325435952 YUSLMGVHTQSHGK-LBPRGKRZSA-N 297.427 3.946 30 20 CHED C=C(C)CCNC(=O)C(F)(F)c1cccc(Cl)c1 1326710238 ZIKIPNJHZZINQD-UHFFFAOYSA-N 273.710 3.514 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCSc3ccccc32)o1 1328232967 YEKXGSBBPZWKAE-GFCCVEGCSA-N 285.324 3.545 30 20 CHED CC1(C)CCC[C@@H](CNCc2cccc(OCC#N)c2)C1 1335413932 RZYJJHLVJGMIBT-MRXNPFEDSA-N 286.419 3.895 30 20 CHED Cc1cccc(C[C@@H](C)NCc2cccc(OCC#N)c2)c1 1335522566 QHUYWPAZQADJBC-MRXNPFEDSA-N 294.398 3.618 30 20 CHED C=C(C)CCC(=O)Nc1ccc(O)c(COC(C)C)c1 1335919915 KAPISUYIWKKXBP-UHFFFAOYSA-N 277.364 3.612 30 20 CHED C=C(C)CCC(=O)N(CCC#N)c1ccc(C)cc1 1336306014 ATOADBOUBPVRTD-UHFFFAOYSA-N 256.349 3.598 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@@H]1OCCc2ccccc21 1336759723 ONNUFHWIGJLBSI-WMZOPIPTSA-N 299.414 3.648 30 20 CHED CSc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)cc1 1341530993 HPZGKWUCKNYUOT-UHFFFAOYSA-N 293.351 3.997 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)C1 1343331621 SJONAKORPAKBTH-ILVOLAIISA-N 291.366 3.530 30 20 CHED C=C(CC)C(=O)N(CC)[C@@H](C)c1cccc(OC)c1 1346279824 NBMDJDNTHNNXBZ-ZDUSSCGKSA-N 261.365 3.571 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNCc1ccc(F)cc1 1347634772 WFUVRWMCBISVJM-CQSZACIVSA-N 273.355 3.621 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H](F)C2)cc1 1349314445 SZADMSISPVHASE-CWRNSKLLSA-N 275.367 3.630 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)c1cccc(Cl)c1 1349905944 GYXYEXZLVBOOEE-RISCZKNCSA-N 278.783 3.594 30 20 CHED C[C@@H](Oc1cccc(Cl)c1)c1nnc(C#CC2CC2)o1 1349987435 HRMHUOSZJRPWMF-SNVBAGLBSA-N 288.734 3.625 30 20 CHED C=C(C)CCC(=O)Nc1cc(OC)ccc1Cl 1353549071 HZKZXEYQTHVOJO-UHFFFAOYSA-N 253.729 3.643 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2ccc(C3CC3)cc2)c1 1457387517 QFMGMIRDOTVQBY-UHFFFAOYSA-N 295.313 3.932 30 20 CHED Cc1cc(S[C@@H](C)c2ncccn2)ccc1C#N 1459140755 GZZVKYDWBUORTJ-NSHDSACASA-N 255.346 3.510 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCCC2CCCC2)C1 1460798166 PTAHQBKXPRIQTD-LSDHHAIUSA-N 263.381 3.972 30 20 CHED Cc1cc(C)cc(NC(=O)c2cc(F)c(C#N)c(F)c2)c1 1463601455 USPCSDKGABMLOL-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 1533365510 NIOLDAXKQSNPRF-JHJVBQTASA-N 259.349 3.845 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1cccc(C#N)c1 1544187801 SQOLNASWJOMBQP-ZDUSSCGKSA-N 290.322 3.656 30 20 CHED C=CCCCC(=O)N[C@H](CCC(=O)O)CC1CCCCC1 1573357341 LQZLOADOMOOYOH-OAHLLOKOSA-N 295.423 3.663 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(C)c(C#N)c2)c(F)c1 1585041635 SUUGIAYGLHLXQL-UHFFFAOYSA-N 282.318 3.591 30 20 CHED C[C@@H]1C[C@H](OC(=O)Cc2cccc(C#N)c2)CC(C)(C)C1 1595398080 MVWGZIZDVNUBMU-CJNGLKHVSA-N 285.387 3.859 30 20 CHED CCCCCCCCCNC(=O)c1ccsc1C(=O)O 1595705377 YKOLEXFMUXYYCB-UHFFFAOYSA-N 297.420 3.927 30 20 CHED Cc1cc(SC[C@H]2CCCC[C@H]2C(=O)O)ccc1C#N 1600303664 VNQXUZMIGJJQMG-UKRRQHHQSA-N 289.400 3.850 30 20 CHED Cc1ccc(C[C@@H](C)N(C)CCc2ccc(C#N)cc2)cc1 1615584607 USNDHNZOGPDHOZ-QGZVFWFLSA-N 292.426 3.972 30 20 CHED Cc1cc(NC(=O)c2ccccc2CC#N)ccc1Cl 1627994554 POVVHYYUDKOJHF-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#Cc1ccc(COc2cc(Cl)ccc2F)s1 1640936476 XTLWLIHFPOYGQD-UHFFFAOYSA-N 267.712 3.991 30 20 CHED Cc1cc(N[C@@H](C)[C@H](C)c2ccccc2)ncc1C#N 1642355955 IEOKCMLLGIKQKL-KBPBESRZSA-N 265.360 3.866 30 20 CHED CCCN(Cc1ccc(C)cc1)c1cc(C#N)nc(CC)n1 1642411508 FIEORGVIVLOPBR-UHFFFAOYSA-N 294.402 3.636 30 20 CHED N#Cc1nc(N[C@H]2CC23CCCCC3)sc1Cl 1642513356 XKSQSSRQBFLITH-VIFPVBQESA-N 267.785 3.803 30 20 CHED C[C@H](Cn1cc2c(c(C#N)c1=O)CCCC2)C1CCCCC1 1643959082 PGNHFALJDQDGAN-CQSZACIVSA-N 298.430 3.815 30 20 CHED Cc1nc(N(C)[C@H]2CCC(C)(C)C2)c(Cl)cc1C#N 1651033096 QYWMJHVYYWJWPH-LBPRGKRZSA-N 277.799 3.930 30 20 CHED N#Cc1cnc(N[C@@H]2CCc3c(Cl)cccc32)c(F)c1 1655021758 XWEMOGLZYJDHMN-CQSZACIVSA-N 287.725 3.845 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)c1cc(C)c(C#N)cn1 1655452749 TUNPWHMCYYLQRI-QGZVFWFLSA-N 295.386 3.858 30 20 CHED CCc1ccc2c(c1)CCN2Cc1ccc(F)c(C#N)c1 1655849112 YTARUUUDWKFNDF-UHFFFAOYSA-N 280.346 3.822 30 20 CHED C[C@H](NCc1ccc2[nH]ccc2c1)c1cccc(C#N)c1 1658597128 WPEDTCZNKVOQKB-ZDUSSCGKSA-N 275.355 3.890 30 20 CHED C[C@H](NC(=O)Nc1sccc1C#N)c1cccs1 1671449257 CIRLBCSSHFVBQZ-QMMMGPOBSA-N 277.374 3.564 30 20 CHED O=C1/C(=C/c2ccc(O)cc2)CSc2ccc(F)cc21 7713526 NFKIAUJLXOEUHY-YRNVUSSQSA-N 286.327 3.903 30 20 CHED CC(C)c1nnc(/N=C(\O)CN2[C@H](C)CCC[C@H]2C)s1 25790948 FTLGXEDQHRBWAO-GHMZBOCLSA-N 296.440 3.512 30 20 CHED CC[C@@H](CNc1nnc(C)c(C)c1C#N)c1ccccc1 29387655 DREGEINKOGGKLL-AWEZNQCLSA-N 280.375 3.571 30 20 CHED COc1cccc(CNc2ccc(C#N)c(Cl)c2)c1O 37393289 NUDPNFKSXPABAA-UHFFFAOYSA-N 288.734 3.538 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 37404032 UCGBOFKOWRWPOB-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CCCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 41559094 LYNZMLHYPDEVEX-SNVBAGLBSA-N 291.301 3.798 30 20 CHED Cc1cc([C@@H](C)NCc2cccc(OCC#N)c2)c(C)o1 44729775 VXMKWTOUEHSQFA-CYBMUJFWSA-N 284.359 3.650 30 20 CHED N#Cc1ccc(OCCNc2ccc(F)c(Cl)c2)cc1 48429012 RLLSOGBMALUOQO-UHFFFAOYSA-N 290.725 3.842 30 20 CHED N#Cc1ccc(SCC(=O)c2ccc(F)cc2)cc1 48512066 SPSIRIZNINDBSY-UHFFFAOYSA-N 271.316 3.672 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(Cl)c[nH]1 49429698 YJUVAOULXBUOBW-UHFFFAOYSA-N 288.778 3.539 30 20 CHED C=C(C)CNC(=S)Nc1ccc(OCCC)cc1C 55001686 XQOWGNOOHFNMJC-UHFFFAOYSA-N 278.421 3.646 30 20 CHED CC[C@@H](CNC(=O)C1(C#N)CCCCC1)c1ccccc1 57384066 NKNFMLCQCUGBSE-HNNXBMFYSA-N 284.403 3.770 30 20 CHED CCCCN(C(=O)Nc1cc(C#N)ccc1C)C1CC1 58452260 GPVPSJLJYUCQGX-UHFFFAOYSA-N 271.364 3.663 30 20 CHED Cc1cc(C#N)ccc1Oc1cnc2ccccc2n1 60378756 MVBKCRZRKGHKKK-UHFFFAOYSA-N 261.284 3.602 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1sccc1C 60677764 FGWMRXBPYGKMPI-UHFFFAOYSA-N 277.414 3.946 30 20 CHED N#Cc1ccc(CNC2(c3ccccc3)CCC2)cc1 64343728 JVYQFWGERWFRCE-UHFFFAOYSA-N 262.356 3.727 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1C(C)C 69313299 YBIQOHQJKUUQTP-ZDUSSCGKSA-N 261.365 3.730 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 72500874 XFOUKDSGPSTSCC-ZWNOBZJWSA-N 291.782 3.864 30 20 CHED C[C@]1(c2ccccc2)CCCN(CCCSCC#N)C1 74990928 AJNOQWFWTDDXDD-KRWDZBQOSA-N 288.460 3.687 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1CCCSCC#N 74991020 ZZUNEUHJDLXDSL-HOCLYGCPSA-N 274.433 3.511 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCCC[C@H]1c1ccco1 76511527 GKNZQMDNIHJUJF-GJZGRUSLSA-N 291.391 3.705 30 20 CHED CC(C)c1nc([C@H](C)NCc2cccc(C#N)c2)cs1 76900876 YRPOQBKSUUTGFD-LBPRGKRZSA-N 285.416 3.989 30 20 CHED CS[C@H]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 78477209 QXSJORXUYFTQPM-JQWIXIFHSA-N 266.797 3.908 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)[C@H](C)c1ccccc1 84140000 JXRFHKQJLNKYAE-NWDGAFQWSA-N 284.384 3.542 30 20 CHED C[C@H]1CC(Nc2cccc(OCC#N)c2)C[C@H](C)C1 84465523 RHLRYNCKVPPTCX-CHWSQXEVSA-N 258.365 3.826 30 20 CHED CC(C)(C#N)CCCOc1ccc(Cl)cc1C(=O)O 87596458 QUCSERAXXXJJHI-UHFFFAOYSA-N 281.739 3.747 30 20 CHED N#CCCN1CCc2ccccc2[C@@H]1Cc1ccccc1 90635163 KVCFMBVXDRYNIC-IBGZPJMESA-N 276.383 3.742 30 20 CHED N#Cc1ccc(OC/C(Cl)=C\Cl)c(Cl)c1 92025872 IQKUAVFVNOJOKF-XBXARRHUSA-N 262.523 3.909 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cccnc1C 92217553 QXKITVUJYWWZMW-UHFFFAOYSA-N 282.387 3.587 30 20 CHED N#Cc1cc(Br)ccc1NCc1ccco1 96731010 PCFPLIYCUOEHAO-UHFFFAOYSA-N 277.121 3.526 30 20 CHED CC(C)(C)c1csc(NC(=O)c2cscn2)c1C#N 96756933 KFKHDLCRUQAZHK-UHFFFAOYSA-N 291.401 3.626 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc(Cl)c2)c1 103028753 CSLLABTUJXLQGK-UHFFFAOYSA-N 283.758 3.988 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccn1C 108238278 YUVKFXYSRSEXQQ-LBPRGKRZSA-N 299.399 3.529 30 20 CHED C=CC1CCN(C(=O)c2ccc(-c3ccco3)nc2C)CC1 110362620 HZFQTQSXZSZAJI-UHFFFAOYSA-N 296.370 3.688 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(SC)c2)CC1 111701133 MUXRHMHKZHUPPP-UHFFFAOYSA-N 276.405 3.838 30 20 CHED C=CCCC(=O)[C@H](C#N)C(=O)Nc1ccc(CCCC)cc1 113652949 HIGNHMPASWKOHD-INIZCTEOSA-N 298.386 3.643 30 20 CHED COc1ccc(N[C@H](C#N)C2CCCCC2)c(C)c1 115606202 VXEXZNUYHKVSMV-MRXNPFEDSA-N 258.365 3.888 30 20 CHED COc1ccccc1[C@@H](C)NCc1cc(C#N)ccc1F 120096712 ALRYXVWKRSZFSY-GFCCVEGCSA-N 284.334 3.557 30 20 CHED Cc1cccnc1[C@H](NCc1ccc(F)c(C#N)c1)C(C)C 121098680 ZIPWGLOJDJEQET-QGZVFWFLSA-N 297.377 3.888 30 20 CHED C=C[C@@H](CC(=O)NCCc1ccccc1)c1ccccc1 121473606 YQJZBVVHXUEQPV-KRWDZBQOSA-N 279.383 3.705 30 20 CHED C=CCC[C@H](NCCc1ccc(Cl)nc1)C1CC1 121675432 HPWUCGWYLZTLKX-AWEZNQCLSA-N 264.800 3.612 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)C1(C#N)CC(C)C1 124182231 XPRLYZHFHQDCMP-UHFFFAOYSA-N 296.292 3.892 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(SC(F)F)cc1 124608709 ASEZSRGFFVNGHO-AWEZNQCLSA-N 298.358 3.669 30 20 CHED Cc1ccc(-c2cncc(C(=O)O[C@@H](C)CC#N)c2)cc1 125483350 UBBKSINBSFMEGC-ZDUSSCGKSA-N 280.327 3.516 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H]1CC[C@@H](C)C1 126261503 FXABQSSKAUNORY-YPMHNXCESA-N 256.349 3.632 30 20 CHED C=C(C)COc1cccc(NCc2c(C)n[nH]c2C)c1 129264889 HUUUMKFBXGATJG-UHFFFAOYSA-N 271.364 3.594 30 20 CHED COc1ccc(C#N)cc1COc1ccc(C#N)cc1Cl 129274659 MSWVISMGBIXPGO-UHFFFAOYSA-N 298.729 3.671 30 20 CHED CCCCCCCCCCNc1cnc(C(=O)O)cn1 129476394 VUTVCTOHNSEGIG-UHFFFAOYSA-N 279.384 3.727 30 20 CHED C=CCC[C@H](C)Nc1cc(C(=O)NCC)ccc1C 130645249 MPBOXMXDSYXPMZ-ZDUSSCGKSA-N 260.381 3.511 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccc(C=O)cc1 133779602 VBGGGXGEBHGBJE-UHFFFAOYSA-N 279.339 3.879 30 20 CHED C=CCC[C@H](N[C@@H](C)Cn1cccn1)c1ccccc1 138899438 FRSACZMDJIBXQG-RDJZCZTQSA-N 269.392 3.569 30 20 CHED C=CCCC(=O)N(Cc1ccc[nH]1)c1ccc(N(C)C)cc1 152431710 PDMCUFITLWVWRT-UHFFFAOYSA-N 297.402 3.580 30 20 CHED Cc1cc(F)ccc1NC(=O)c1ccc(C#N)c(Cl)c1 153656051 BOCRKWZOAFFVBQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@H]1CC[C@H](CNc2ccc(C(F)(F)F)cc2C#N)O1 158338746 VZHKNHXGRUJVPJ-JOYOIKCWSA-N 284.281 3.556 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(F)cc2C#N)n1 159846366 LJONLMQQFLNYSE-GOSISDBHSA-N 295.361 3.738 30 20 CHED C=C(Cl)CSCc1ccc(C(=O)OC)s1 159953198 NQTWXPVBAUKTNI-UHFFFAOYSA-N 262.783 3.520 30 20 CHED C=C(C)CNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 161085324 SMILIZCQZARVMR-NSHDSACASA-N 285.309 3.891 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 161995099 MCIZXAMTRIIPSB-DYVFJYSZSA-N 295.398 3.724 30 20 CHED N#CCCCCNC(=O)c1cc(F)c(Cl)cc1Cl 171505357 SKIGDNRDLSVXHN-UHFFFAOYSA-N 289.137 3.556 30 20 CHED C=CCCCCCN(C)C(=O)CCc1nc2ccccc2[nH]1 172466185 YHDHLVVBRFWRLV-UHFFFAOYSA-N 299.418 3.700 30 20 CHED CC[C@@H](C)[C@@H](C)N(CCCSCC#N)C1CC1 173883102 GCYBSOFFZZPMHB-CHWSQXEVSA-N 254.443 3.532 30 20 CHED C[C@H](NC[C@@H](C)Oc1ccccc1)c1ccc(C#N)cc1 174093899 YLATWJLYFULULT-CABCVRRESA-N 280.371 3.676 30 20 CHED C#C[C@@H](C)OC(=O)c1csc(-c2ccc(Cl)cc2)n1 174473608 ZCCSGGQLIMZUDJ-SECBINFHSA-N 291.759 3.642 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)/C=C(\C)C1CC1 175787586 LJTNNJGSVZFONI-FMIVXFBMSA-N 283.375 3.675 30 20 CHED C[C@H]1CC[C@@H](CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 177579213 BNDRAEJUDDLEJH-WMLDXEAASA-N 296.414 3.876 30 20 CHED COCc1cccc(CN(CCC#N)CC(C)(C)C)c1 179221594 PMMKZQWYCJUIKH-UHFFFAOYSA-N 274.408 3.595 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H](C)[C@@H]1C)c1ccccc1 179548212 WSNDQIMEWVAJGX-OWCLPIDISA-N 271.404 3.993 30 20 CHED Cc1cnc(CSCc2ccccc2C#N)s1 179982680 GCBDHZOBTRDPTP-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cc(F)ccc1F 180711375 ITOGMWRLHMUTQE-LLVKDONJSA-N 282.334 3.509 30 20 CHED CC(C)(C#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 181826216 LWTVAKYMJGXXIP-UHFFFAOYSA-N 282.343 3.506 30 20 CHED Cc1cccc(/C=C/C(=O)c2cccnc2)c1OC(F)F 182269790 RTESRKPSIIYFCY-BQYQJAHWSA-N 289.281 3.888 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(F)cc2cccnc12 182639182 BAWLAKMTUKVLAY-LBPRGKRZSA-N 286.350 3.849 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(OCCC(C)C)cc1 183847854 AMHRYPUPWAITPL-HNNXBMFYSA-N 288.391 3.534 30 20 CHED CC[C@@H](CC#N)NCc1ccc(Oc2ccccc2)o1 184094159 YBELHHOKOMDYKT-ZDUSSCGKSA-N 270.332 3.854 30 20 CHED CCC[C@@H](CC)NC(=O)Nc1ccccc1O[C@H](C)C#N 184334631 DRIVCJUBKRMDBH-CHWSQXEVSA-N 289.379 3.678 30 20 CHED N#CCCN(C(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 185096829 USJPUEQPXCIRNZ-UHFFFAOYSA-N 298.386 3.604 30 20 CHED CC#CCCCC(=O)NCc1cccc2ccccc12 185218722 MDXKDJPXEOENHM-UHFFFAOYSA-N 265.356 3.650 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)c2cn(C)c3ccccc23)CC1 185371931 UUJKDCSFTAYDOJ-AWEZNQCLSA-N 296.414 3.706 30 20 CHED C=CC[C@H](C(=O)N(C)CCC(C)C)c1ccccc1 186594266 GZHWTDDNMYJJBW-INIZCTEOSA-N 259.393 3.851 30 20 CHED C=CCCOCCNC[C@@H](C)c1cccc(Cl)c1 188197190 DEAVMFZIIZBHDH-CYBMUJFWSA-N 267.800 3.626 30 20 CHED N#CCC[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1 188745605 MZJZPSCQBVJSAG-DOTOQJQBSA-N 282.387 3.894 30 20 CHED C#CCCCC(=O)N(Cc1ccc(CC)cc1)C1CC1 192136892 NRMCKFPTPCSTFD-UHFFFAOYSA-N 269.388 3.544 30 20 CHED C[C@@H](O)CCc1ccc(OCc2ccc(C#N)cc2F)cc1 192741946 YZWUZYVXSPDNSP-CYBMUJFWSA-N 299.345 3.590 30 20 CHED CN(C(=O)c1ccc(-c2ccccc2)s1)C1(C#N)CCC1 194512612 IVOGNMGMFOVDOX-UHFFFAOYSA-N 296.395 3.933 30 20 CHED CCCOc1ccccc1NC(=O)Cc1ccc(C#N)cc1 194712971 HYDGMDOLVZQIKL-UHFFFAOYSA-N 294.354 3.528 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 210014441 XRIZLRZWWTVHJW-YHYXMXQVSA-N 298.338 3.781 30 20 CHED N#Cc1ccc(NC(=O)CCc2ccccc2)c(Cl)c1 225781087 BHQPHSIGOGTZEJ-UHFFFAOYSA-N 284.746 3.783 30 20 CHED C#CCCCCN[C@H]1CCCc2c1[nH]c1ccccc21 229639027 FLTAHDHVOFBMKX-KRWDZBQOSA-N 266.388 3.938 30 20 CHED C[C@H](CCc1ccccc1)NCC(C)(C)CCC#N 229671591 ZDHXLAHTGBWVJF-OAHLLOKOSA-N 258.409 3.927 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)CCC#N)cc1 229698554 GDDNSSVATFXSJU-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1nc(Cl)c(C#N)s1 235330345 WGVJZNGVMVEJBP-VGMNWLOBSA-N 269.801 3.905 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1nc(-c2ccccc2C)no1 245931808 YOZAXBCVVFEEKW-TZMCWYRMSA-N 298.390 3.588 30 20 CHED C=C(C)CSc1nnc(N2CCC(C)CC2)n1C1CC1 248162617 MOMMLVVYRXSBPJ-UHFFFAOYSA-N 292.452 3.518 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1 255838115 LJRJEUOAIRQLHZ-ALCCZGGFSA-N 268.703 3.503 30 20 CHED Cn1cc(C(=O)/C=C\c2csc3ccccc23)cn1 255865738 YZLRRAGMIRZDBX-SREVYHEPSA-N 268.341 3.531 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)C1CCCCC1 264570915 RKARQVZAXKUIOV-UHFFFAOYSA-N 272.392 3.744 30 20 CHED CCN(CCC#N)Cc1cc(Cl)ccc1OC(F)F 267029115 APZPOKMUTYQTQP-UHFFFAOYSA-N 288.725 3.677 30 20 CHED CC1(C)CCC(C(=O)N(CCC#N)Cc2ccccn2)CC1 269114997 SBJKIPBDYLHDGO-UHFFFAOYSA-N 299.418 3.540 30 20 CHED CCN(CCC#N)C(=O)/C(C)=C/c1cccc(Cl)c1 270306418 TZBRZZIAKNNLKK-ZRDIBKRKSA-N 276.767 3.505 30 20 CHED C=CCN(C(=O)Nc1ccccc1CC(F)(F)F)C1CC1 271530905 MHWPGGDYXQRUEE-UHFFFAOYSA-N 298.308 3.974 30 20 CHED C=CCCCCNC(=O)Nc1cccc(-c2nccn2C)c1 274611027 QMYWDAGNYOSCJD-UHFFFAOYSA-N 298.390 3.565 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccncc2)CCCC1(C)C 277898244 NXZYPKMKOUPOQY-CQSZACIVSA-N 273.380 3.680 30 20 CHED CC[C@H](N[C@H](C)CC(C)(C)OC)c1ccc(C#N)cc1 278690971 KJZMPRYNAOVSMY-CJNGLKHVSA-N 274.408 3.803 30 20 CHED C#CCCCC(=O)Nc1cc(C(=O)CC)ccc1Cl 279695656 OEWOMKPBAMBXGP-UHFFFAOYSA-N 277.751 3.675 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC2(CCOCC2)CC1 284857601 UJTOFQAENLQWTH-HNNXBMFYSA-N 284.403 3.512 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(-c2ncco2)ccc1C 285711472 IMICJFHPRDIRCY-INIZCTEOSA-N 283.331 3.528 30 20 CHED Cc1nsc(N[C@@H]2CCOC3(CCCCC3)C2)c1C#N 286192581 LSLVRHFLUIWTQN-GFCCVEGCSA-N 291.420 3.617 30 20 CHED CC(C)CONc1c(C#N)cnc2c(F)c(F)c(F)cc12 286452847 JQXYXNISLHMDRG-UHFFFAOYSA-N 295.264 3.523 30 20 CHED C=CCCCCCCNC(=O)Cc1nc(C)sc1C 287243245 WYMXBFAEYWMSHC-UHFFFAOYSA-N 280.437 3.555 30 20 CHED C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)NCCCCC#N)C1 287380190 LHVBXTBVXFAUMO-RDJZCZTQSA-N 299.418 3.863 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 289478610 IBAVFOAPQVOQFC-JLSDUUJJSA-N 296.414 3.653 30 20 CHED CC(C)c1ccc(C[C@@H](C)NC(=O)CCCC#N)cc1 291956498 QWPUATIPWPFVOP-CQSZACIVSA-N 272.392 3.551 30 20 CHED CC/C(C)=C/C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 294520268 LMUUGRVTJHSTQP-YPDDLIOESA-N 270.376 3.824 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 297722591 JSFBZDGNYHDTKE-HNNXBMFYSA-N 270.376 3.532 30 20 CHED CC(C)C[C@@H]1CCCN(c2snc(Cl)c2C#N)C1 301644963 OWLPKRZRNWOWQU-JTQLQIEISA-N 283.828 3.931 30 20 CHED CC(C)SCCOc1cc(Cl)cc(C#N)c1 309475871 YFOUOSFIDZMGDP-UHFFFAOYSA-N 255.770 3.732 30 20 CHED C=CCNc1nc(-c2cc(C)ccc2OC)cs1 310849678 CUTFBLQTCMBHPJ-UHFFFAOYSA-N 260.362 3.725 30 20 CHED CC[C@](C)(CNc1cccc(Br)c1C#N)OC 322799920 PTVYUTBQZDGADS-CYBMUJFWSA-N 297.196 3.548 30 20 CHED C[C@]1(C/N=C(/O)Nc2scnc2C2CC2)CCCS1 328905985 BEPKHHJGWYWMEP-CYBMUJFWSA-N 297.449 3.632 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cnc3ccccc3c2)CCC1=O 328907344 LLIRHIYWYUVCBV-YPMHNXCESA-N 282.343 3.828 30 20 CHED Cc1n[nH]c(C)c1N=C(O)[C@@H]1CCSc2ccccc21 329540209 CWEHDXVUWYCVIA-GFCCVEGCSA-N 287.388 3.894 30 20 CHED Cc1nccc(C/N=C(/O)[C@@H]2CCSc3ccccc32)n1 329595936 IJLUFLCFEOGGGX-CQSZACIVSA-N 299.399 3.521 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 329679119 QRUBTKHWCQULDB-MGPQQGTHSA-N 273.380 3.980 30 20 CHED OC(CCC1CCC1)=Nc1n[nH]c2cc(F)ccc12 330008693 GVARBAGAAXXRJN-UHFFFAOYSA-N 261.300 3.870 30 20 CHED C[C@H](S[C@@H]1CCCN=C1O)/C(O)=N/CC1CCCCC1 330197234 RNOUSDWYFWOACT-WCQYABFASA-N 298.452 3.764 30 20 CHED CCOc1cc(/C(O)=N/[C@@H]2CCC[C@H]2C)cc(Cl)c1O 330378635 KANBJIUMAMTZCF-BXKDBHETSA-N 297.782 3.938 30 20 CHED Cc1ccc(/C(O)=N/C(CC(C)C)CC(C)C)c(O)n1 330590797 YOVCDGXJPRHEIP-UHFFFAOYSA-N 278.396 3.861 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCCC#N 332735783 VBAGOGFUVSONMP-CRAIPNDOSA-N 284.403 3.756 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)CC1 333411685 KGZOAVBPFUZIND-JKIFEVAISA-N 274.408 3.545 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC2(CCC2)[C@@H]1C(C)C 333454761 OLLKEBPDNLDJOQ-INIZCTEOSA-N 297.402 3.909 30 20 CHED Cc1cc2c(S[C@@H]3CC[C@@H](C#N)C3)ncnc2s1 334567371 XLOHDTUDFUMUPX-NXEZZACHSA-N 275.402 3.784 30 20 CHED CCc1c(C)sc(NC(=O)c2ccoc2Cl)c1C#N 335682714 HGBQFPUPYWAFGQ-UHFFFAOYSA-N 294.763 3.989 30 20 CHED C=C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 336557810 NUEVEXRJGQOGIH-UHFFFAOYSA-N 284.384 3.602 30 20 CHED CSCCCN(C)c1ccc(C#N)c(C(F)(F)F)c1 336808328 PNXWKCSKGXIKRJ-UHFFFAOYSA-N 288.338 3.766 30 20 CHED Cc1nc(N2CCSC(C)(C)CC2)c(Cl)cc1C#N 336818209 UOQGRBKCLRKFSO-UHFFFAOYSA-N 295.839 3.637 30 20 CHED CC(C)COc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 338319910 ZHHCAPKDEKZNSY-INIZCTEOSA-N 294.354 3.606 30 20 CHED C=C[C@H](CC(=O)Nc1ccn2ccnc2c1)c1ccccc1 339208958 SFDJBJAWTRCRIB-CQSZACIVSA-N 291.354 3.633 30 20 CHED C[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 340884639 MUPWRUDDWBWLEQ-WMLDXEAASA-N 298.386 3.910 30 20 CHED C=C[C@H](C)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 341999778 FIIOOIYGSCGTEL-NSHDSACASA-N 286.762 3.706 30 20 CHED CCc1c(C)sc(NC(=O)CCCOC(C)C)c1C#N 342449874 OLBFMZOAUZFEFI-UHFFFAOYSA-N 294.420 3.634 30 20 CHED N#Cc1csc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 344348014 IJNXINPILDDYAR-HZSPNIEDSA-N 260.406 3.678 30 20 CHED Cc1ccc(C#N)c(N2C[C@H](c3ccccc3C)C[C@@H]2C)n1 346813907 IGSLJSNJWHZJJK-DOTOQJQBSA-N 291.398 3.953 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@@H]2C[C@@H]2c2ccccc2)no1 347218651 OIRBKUWQBCGROY-JJXSEGSLSA-N 296.370 3.789 30 20 CHED C=CC[C@@H](C(=O)NCc1oc(CC)nc1C)c1ccccc1 347762370 WUKHNFGICKNMJY-OAHLLOKOSA-N 298.386 3.522 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)C1C(C)(C)C1(C)C 348125392 VZZJJXCOGBFKDR-UHFFFAOYSA-N 287.407 3.735 30 20 CHED N#C[C@H](NC(=O)CC1CCC1)c1cccc(C(F)(F)F)c1 349485626 SUZNWRNPVUFDDO-ZDUSSCGKSA-N 296.292 3.576 30 20 CHED Cc1cc(Br)ccc1CN[C@H]1CC[C@H](C#N)C1 349820304 FMCNYFVYSGFACK-FZMZJTMJSA-N 293.208 3.539 30 20 CHED CC[C@@]1(C)CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 353369868 BEQBYCRTPOAULH-INIZCTEOSA-N 290.794 3.864 30 20 CHED C=C[C@H](C)NC1CCC(N(C)Cc2ccccc2)CC1 353408152 YWWOUPCADSWUAJ-ZLPCBKJTSA-N 272.436 3.594 30 20 CHED CC(C)Sc1ccc(CN(C)[C@@H](C)CC#N)cc1 358051858 RNUPXEJIZDXTQW-ZDUSSCGKSA-N 262.422 3.921 30 20 CHED CCN(CC)C[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 360830639 DNMUZKCFYVRPMP-BEFAXECRSA-N 299.462 3.646 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1c1cn(C)nc1C 364443184 RVZOSAQWWLRJIV-INIZCTEOSA-N 291.439 3.753 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](c1ccccc1)c1cnn(C)c1 369911979 YXSZWLZSUJBPSM-HDMKZQKVSA-N 283.419 3.700 30 20 CHED N#CCCCOc1cccc(CN2CC[C@H](C3CC3)C2)c1 377393072 REPIEHODIVTILP-KRWDZBQOSA-N 284.403 3.601 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C2(C#N)CCCCC2)C1 394216415 KWTOMPROSIPVHB-WMLDXEAASA-N 288.435 3.888 30 20 CHED Cc1cc(CNc2cccc(C#N)c2)cc(Cl)n1 401899373 CMNLVHYDANXESB-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=CC[C@@H](CC)NC(=O)C/C=C\c1ccccc1F 410135320 FRVWIDIVRIRGFL-JKEYDSJLSA-N 261.340 3.700 30 20 CHED CC[C@H](CC(C)C)C(=O)N(CCC#N)CC(C)(C)C 410463244 AIQGXOLMKVERPD-CQSZACIVSA-N 266.429 3.847 30 20 CHED CC(C)=CCSc1ccccc1C(=O)N(C)[C@H](C)C#N 410883533 NTOHINAOQQNMIP-CYBMUJFWSA-N 288.416 3.729 30 20 CHED C[C@@H]1C[C@H]1CC(=O)Nc1sc(C(C)(C)C)cc1C#N 411005453 FXOGKJYUFCDCMG-ZJUUUORDSA-N 276.405 3.902 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3ncc(C#N)cc3F)C2)cc1 413259329 CXQBODYNZRQRFC-XJKSGUPXSA-N 295.361 3.783 30 20 CHED CCC1(c2ccccc2)CN(c2nccc(C#N)c2Cl)C1 413449390 JFGUDUYLIUBKDO-UHFFFAOYSA-N 297.789 3.775 30 20 CHED C=CC[C@H](Cc1ccccc1)NC1CCSCC1 414291307 BATAVAMTWLIDPQ-MRXNPFEDSA-N 261.434 3.659 30 20 CHED N#CC1(CNCc2ccc(F)c(Cl)c2Cl)CCC1 418140634 JUUOXGNETKUJDR-UHFFFAOYSA-N 287.165 3.916 30 20 CHED Cc1c(NC(=O)C[C@H]2CC[C@H](C)C2)ccc(C#N)c1C#N 421557300 LFUADCQBKLKMCX-AAEUAGOBSA-N 281.359 3.503 30 20 CHED C=CCC[C@H](NCc1cccc2c1CCCN2)C1CC1 423414773 NZXBSXBWGMBKDB-KRWDZBQOSA-N 270.420 3.879 30 20 CHED C=CCC[C@@H](CC)N[C@@H](CCCN)c1ccccc1 423503712 NATXLCSXRZLKSX-SJORKVTESA-N 260.425 3.801 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCCCc3ccccc32)C1 424128481 RFCVPYPQFZORRC-KMFMINBZSA-N 254.377 3.736 30 20 CHED CC(C)COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 424199098 PSEQEAAEDSRBKB-JKSUJKDBSA-N 272.392 3.503 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(Cl)cc2Cl)C1 424204232 UZCYHCXSIGAXRM-JOYOIKCWSA-N 269.175 3.775 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 424803474 MMIZAXVKVWAAOP-AWEZNQCLSA-N 279.424 3.587 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(F)c1C 424889002 WQQNDKDPQYBEAD-UHFFFAOYSA-N 253.292 3.814 30 20 CHED N#CCCNC(=O)CCCCc1ccc(Cl)c(Cl)c1 427613975 FRWJYKQFIQSJML-UHFFFAOYSA-N 299.201 3.736 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2c(C)cc(C)cc2[nH]1 428048679 KJPUPJVVEBUCLR-CQSZACIVSA-N 282.387 3.965 30 20 CHED C[C@H]1CC[C@@H](N(C)CC#Cc2ccc(Cl)cc2)C1 429558374 FEICLPCHMHMYRZ-XJKSGUPXSA-N 261.796 3.812 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 433984202 PJWCEADYPUEEEF-HUUCEWRRSA-N 298.292 3.579 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCc2cc(F)ccc21 436309434 RROBHWVQNZCVSU-WBAXXEDZSA-N 289.394 3.774 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C(C)=O)c(C)c1 439428315 FNJGPAPXKIGPSE-ZDUSSCGKSA-N 274.364 3.674 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)CSCc1ccccc1 440257968 HHBVRWOIHKJUQG-HNNXBMFYSA-N 289.444 3.757 30 20 CHED C=C(C)CNC(=O)Nc1cccnc1-c1ccc(C)s1 446569329 MVWRHLGDJUCXJE-UHFFFAOYSA-N 287.388 3.816 30 20 CHED C=CC(C)(C)CN[C@H](C)CC(=O)Nc1ccccc1CC 449485545 NRBOTQWQAYBILY-CQSZACIVSA-N 288.435 3.768 30 20 CHED C[C@@H]1CCN(CC2(C#N)CCC2)[C@@H]1c1cccc(F)c1 450456551 UBOUSAVJIWTOCC-CJNGLKHVSA-N 272.367 3.902 30 20 CHED C=CCCOCCNC(=O)Nc1cc(C)c(C)cc1Cl 455746760 NJPRQMOLHLGWMV-UHFFFAOYSA-N 296.798 3.671 30 20 CHED CCC[C@@H](C(=O)Nc1cccc(CC#N)c1)C(C)C 456748558 JYEIUQIKTIJMDC-OAHLLOKOSA-N 258.365 3.763 30 20 CHED C=CCOCC(=O)N(CC(C)C)c1cccc(Cl)c1 456794163 DBHMCKPMGIXAKO-UHFFFAOYSA-N 281.783 3.532 30 20 CHED C=CCC1(NC(=O)NCCC(F)(F)F)CCCCC1 458461552 GEKQEMXFVOLFKG-UHFFFAOYSA-N 278.318 3.517 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 458997920 JQECGADROUTADI-DLBZAZTESA-N 286.419 3.930 30 20 CHED C=C(CC)CNC(=O)N1CCCCC[C@@H]1c1ccco1 459090466 ZPTOTYPRFNCOGE-CQSZACIVSA-N 276.380 3.873 30 20 CHED CCC1(C)CN(Cc2cccc(OCCCC#N)c2)C1 459627155 AXZRTFVHPWQGTF-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@]1(C)CCC[C@@H]1C 460050383 AWGMQUVAVGIICC-KXBFYZLASA-N 296.414 3.899 30 20 CHED Cc1ccc([C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 461906550 ZCDHMKGOZSMSIB-HUUCEWRRSA-N 292.382 3.848 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(-c2ccc(CC)cc2)o1 465110325 PPPCPAGAKUCUEP-LBPRGKRZSA-N 269.344 3.813 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Oc1cccc(F)c1 467994150 KPVBLWAAWIXXDC-RHSMWYFYSA-N 293.382 3.702 30 20 CHED C=C(C)CN(CC)C(=O)NCCC1=CCCCCC1 468316643 MCAXLKBNWTZPAQ-UHFFFAOYSA-N 264.413 3.875 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CC=CCC2)CCCC1(C)C 470309234 PRVZHRKLUZPXGH-CABCVRRESA-N 261.409 3.936 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1cccc(Nc2ccccc2)c1 470578145 FUORABLUEUSCEB-QGZVFWFLSA-N 293.370 3.708 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1Cc2ccccc21 470647668 ZQNUXIHGVSXENY-IBGZPJMESA-N 291.394 3.931 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 471674045 NZECTZYCGIEFKI-VXGBXAGGSA-N 297.320 3.680 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H]1c1cc(C)ccc1C 474236781 XOACUGIQDJPYHV-WMZOPIPTSA-N 273.420 3.767 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC12CCCC2 474363510 VKCCRRXSALAYNQ-AWEZNQCLSA-N 298.386 3.864 30 20 CHED C=CCCC1(c2nc(COc3ccccc3F)no2)CC1 481911287 QEUDELMHBSMFON-UHFFFAOYSA-N 288.322 3.786 30 20 CHED C=C(CC)CN1CCO[C@@H](c2ccc(CC)cc2)C1 484538499 AXLVHMNMVSPAAL-QGZVFWFLSA-N 259.393 3.589 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 488004260 FNMKZWOFVQQHLQ-HNNXBMFYSA-N 288.435 3.959 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1C 488822347 WSIMDGANJDSURL-ZDUSSCGKSA-N 263.768 3.829 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1cccc(OCCC)c1 488875422 GFODGVYGOGBDLX-MRXNPFEDSA-N 287.403 3.585 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc2ccc(C)nc12 488881729 OBZLEGISUFZPLV-UHFFFAOYSA-N 291.354 3.783 30 20 CHED CC#CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 499000305 JUGMZLHGNXDZLJ-VXGBXAGGSA-N 296.197 3.627 30 20 CHED Cc1c(C#N)cccc1NCc1cc(F)c(F)cc1F 500786575 SCHQKVPHUBEHTR-UHFFFAOYSA-N 276.261 3.896 30 20 CHED Cc1cccc(OCc2ccc(F)cc2C#N)c1F 502386323 JKHNVCUCUDFVLA-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=CCCO[C@@H](C)C(=O)NC(CC(C)C)CC(C)C 504627997 RKYRIOSDRQHLLI-AWEZNQCLSA-N 269.429 3.545 30 20 CHED C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)CC(C)(C)C#N 505287690 NSHDBOKKEHBGNY-SUMWQHHRSA-N 284.403 3.756 30 20 CHED C=CCN(CC=C)Cc1c(F)cccc1N1CCCC1 505876712 LIYTVAPLFCPTQU-UHFFFAOYSA-N 274.383 3.600 30 20 CHED C=C(C)CN(CC)Cc1cccc(OC)c1OC(C)C 505886245 AXPPGHFMSGLYCX-UHFFFAOYSA-N 277.408 3.880 30 20 CHED C=C(C)CCc1noc(-c2cnc(OCC)c(Cl)c2)n1 508597220 WTPYVEFZUSGTQU-UHFFFAOYSA-N 293.754 3.692 30 20 CHED CCc1cc(NCc2ccc(C#N)c(OC)c2)ccc1F 512491102 CPTORLPGEOVGSM-UHFFFAOYSA-N 284.334 3.880 30 20 CHED C=C(CNC(=O)N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 512680432 BGCLLUAAQAYZCM-OAHLLOKOSA-N 286.419 3.777 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 523940148 XUHSFAVHFNNUMF-DOMZBBRYSA-N 294.826 3.925 30 20 CHED CCC(C#N)(CC)c1nc(Cc2ccccc2C)no1 528066410 GLFOEBCTLHBICG-UHFFFAOYSA-N 269.348 3.550 30 20 CHED C=CC1CCN(C(=O)CC2(c3ccccc3)CC2)CC1 528521804 ROIBNUUURFEEGM-UHFFFAOYSA-N 269.388 3.533 30 20 CHED COCc1ccc(N[C@H](C)CCC(F)(F)F)cc1C#N 529645311 RXBWBIHCHJPQEA-SNVBAGLBSA-N 286.297 3.848 30 20 CHED C=CCC(CC=C)C(=O)N[C@@](C)(CC)C(F)(F)F 532343609 ACKLVFBXTQOXCX-LBPRGKRZSA-N 263.303 3.602 30 20 CHED C=CCCOCCCCC(=O)NC1(C)CCCCC1 537164808 HYUXPVUIWMDJCB-UHFFFAOYSA-N 267.413 3.588 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc([C@@H]2CCOC2)c1 540528944 FAPNPYOIBKHQDC-RHSMWYFYSA-N 287.403 3.665 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 541131420 HUTFUUDIROAJIG-BBWFWOEESA-N 293.451 3.787 30 20 CHED CC(C)COc1cccc(CN2CCC(CC#N)CC2)c1 541921770 QIGMJQDYYPBSDN-UHFFFAOYSA-N 286.419 3.847 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1c1nccc(C)c1C#N 543206452 ZBPOUFHZXWEKGT-HIFRSBDPSA-N 257.381 3.667 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1nccc(C)c1C#N 544068001 YYSZHEROJJKEQM-CQSZACIVSA-N 265.360 3.613 30 20 CHED C=CCCCCNC(=O)c1ccccc1SCC 547431772 FZGIPNIYWOUCRE-UHFFFAOYSA-N 263.406 3.885 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2ccc(F)c(C#N)c2)c1C 547758372 UUFZPJYGRLLYQU-CYBMUJFWSA-N 296.345 3.805 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccccc1-n1ccnn1 552277388 SRRCSPAOAYSLGK-GJZGRUSLSA-N 284.407 3.663 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCC(F)(F)C1 552997454 KXQQKPKNCJDWCM-JSGCOSHPSA-N 273.367 3.921 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccoc1 553004175 MVIKLFAJUQNFKL-SJCJKPOMSA-N 266.344 3.879 30 20 CHED Cc1cc(CNCc2ccc(C#N)s2)c(C)s1 553513797 FPVUJYDREMQERU-UHFFFAOYSA-N 262.403 3.588 30 20 CHED C=CCOc1ccc(CNC(=O)C(C)(C)C(C)C)cc1 557365446 XGMSYMRXUTWZHR-UHFFFAOYSA-N 275.392 3.550 30 20 CHED N#Cc1ccnc(N2CC(C3CCCCC3)C2)c1Cl 558993088 SMMIYFNYPYLRQR-UHFFFAOYSA-N 275.783 3.623 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCC[C@H](F)C2)cc1Cl 564902523 UGNUKHGGKANBMP-QWRGUYRKSA-N 295.745 3.614 30 20 CHED C=CCOc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1 565696814 SIBVYLNYGUKOMD-KRWDZBQOSA-N 284.403 3.766 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 570788734 KKULNLHVHHRNJO-MAUKXSAKSA-N 297.402 3.605 30 20 CHED N#CCCN(C(=O)C1=CCCCCC1)c1ccc(F)cc1 572217815 PJKWUPGSXZMBAG-UHFFFAOYSA-N 286.350 3.963 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C#N)c(F)c1 572768289 COOSSCWBFJWSDW-XHDPSFHLSA-N 289.354 3.740 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H](C)C(C)C)cc1 573101090 HTKBGBOWXUBCNF-BBRMVZONSA-N 272.392 3.564 30 20 CHED Cc1ccsc1C(=O)N[C@@](C)(C#N)C1CCCCC1 573833268 QNZNXIDLQPJQRH-HNNXBMFYSA-N 276.405 3.649 30 20 CHED C=CCCCCN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 576671953 UUTOKDXXZHUPMV-CEXWTWQISA-N 285.431 3.847 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1c2cc(C)ccc2C[C@@H]1C 578801898 BAJJDBHSROGWTK-WLWJZTKJSA-N 285.431 3.799 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC[C@@H](C#N)CCC#N 579217599 WZNGXLYDEIHLQS-OAGGEKHMSA-N 261.413 3.626 30 20 CHED N#Cc1ccc(N[C@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] 581976021 KRIPVHVRBUZYGF-HNNXBMFYSA-N 297.289 3.705 30 20 CHED Cc1ccccc1Cc1noc(CCCCCC#N)n1 588321341 HBRDCBHBYXHIDJ-UHFFFAOYSA-N 269.348 3.595 30 20 CHED Cc1c(NC(=O)CCCCCC#N)cnn1-c1ccccc1 588652871 IYVCPYDKHPHDEI-UHFFFAOYSA-N 296.374 3.593 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)CCCCCC#N 588730938 KUEPJRQTYJIMOK-CQSZACIVSA-N 264.413 3.888 30 20 CHED CC1(C)CN(C(=O)C2(C#N)CCCC2)[C@H]1c1ccccc1 592755287 QPRIOJJDGCLJLW-HNNXBMFYSA-N 282.387 3.680 30 20 CHED N#Cc1cccc(-c2cccc(CN3CCCC3)c2)c1 592989052 PQZREMJJCFLHJC-UHFFFAOYSA-N 262.356 3.821 30 20 CHED N#C[C@@H]1CC[C@H](Sc2ccc(-c3ccco3)nn2)C1 593440669 BFSDNJIMIIYYRC-MNOVXSKESA-N 271.345 3.521 30 20 CHED CCCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 594094729 CIUGHKJHYIZSHL-UHFFFAOYSA-N 272.392 3.748 30 20 CHED N#CC1(Cc2cn(C3CCCCC3)nn2)CCCCC1 594643754 KHXNUVXKSJXASM-UHFFFAOYSA-N 272.396 3.800 30 20 CHED CN(CCSCC1(CC#N)CC1)Cc1ccccc1 594900475 RBRBXTHATJDRAO-UHFFFAOYSA-N 274.433 3.545 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC1(SC)CCN(C)CC1 595053154 WEIHYPSZXYRVMX-CVEARBPZSA-N 296.524 3.538 30 20 CHED Cc1ccc(CN(CCc2ccc(C#N)cc2)C2CC2)o1 595296171 KCEFEYMKBAKBEM-UHFFFAOYSA-N 280.371 3.667 30 20 CHED C[C@@H]1c2c(sc(NC(=O)CCCF)c2C#N)CC[C@H]1C 598839905 WQIFPRBJSVZUQY-ZJUUUORDSA-N 294.395 3.994 30 20 CHED Cc1csc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)n1 599044606 QRZBTBPSDHJRTQ-NHYWBVRUSA-N 283.400 3.661 30 20 CHED Cc1cc(C)c(C(=O)N[C@H](C#N)C2CCCCC2)s1 601278378 SRZZRRQAXUHOSU-CYBMUJFWSA-N 276.405 3.567 30 20 CHED C[C@@H](CC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 602245310 JJGKUTPMAIGBNW-LBPRGKRZSA-N 299.374 3.840 30 20 CHED Cc1ccc(CN(Cc2cccc(C#N)n2)C(C)C)s1 602452620 DTLHQXCIXREUPU-UHFFFAOYSA-N 285.416 3.734 30 20 CHED Cc1c(C#N)cccc1N[C@H](c1nc[nH]n1)C1CCCCC1 602592974 WJRHXNBFLLENDK-INIZCTEOSA-N 295.390 3.718 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 603621272 DOOVJCKCDGRVFH-XOKHGSTOSA-N 282.387 3.599 30 20 CHED C[C@@H](N(C)C(=O)CSc1ccc(C#N)cc1)C(C)(C)C 603917070 OVSCREZGXGMXHS-GFCCVEGCSA-N 290.432 3.543 30 20 CHED N#CC1(C(=O)NCC2(c3ccccc3)CCC2)CCCCC1 604396537 ZNAGHFYHBJHRSY-UHFFFAOYSA-N 296.414 3.699 30 20 CHED Cn1ccc2c(NCc3ccc(C#N)cc3)cccc21 608886489 PLJMZDHUFULNMB-UHFFFAOYSA-N 261.328 3.662 30 20 CHED N#CN(CC#Cc1cccc(Cl)c1)c1ccccc1 610946747 ZHEHICTVFICNQM-UHFFFAOYSA-N 266.731 3.679 30 20 CHED CC1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 611093131 GAHVCKZLEZPRBK-UHFFFAOYSA-N 297.185 3.737 30 20 CHED C[C@H]1CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 611093238 NZTLNCDEEYWELX-VIFPVBQESA-N 297.185 3.737 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSCc1ccc(F)cc1 611429028 DKBCSGVHRBSLSI-CYBMUJFWSA-N 295.423 3.920 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc(C#N)c1 611555037 JZWXDROLLNHPQS-SMDDNHRTSA-N 282.309 3.721 30 20 CHED CC(C)[C@H](CC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612241220 WWXCKUWCYHTXKJ-HKUYNNGSSA-N 298.430 3.969 30 20 CHED COc1cc(Cl)c(CNCC(C)(C)C#N)cc1Cl 612584895 GQEKQQQRMGUCAQ-UHFFFAOYSA-N 287.190 3.641 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cccc(OC)c1Cl 615285712 IDHLVMWCSQDSSH-UHFFFAOYSA-N 295.810 3.610 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cnc(CCC)s2)C1 617782756 LZLFTOJWZQJZJW-LBPRGKRZSA-N 278.421 3.524 30 20 CHED CCOc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 618742777 SDAQYNBGPQIKJC-LJQANCHMSA-N 292.382 3.734 30 20 CHED CCCC[C@H](S[C@H](C#N)Cc1ccccc1)C(=O)OC 619460582 FVLCAAFCYBCTCA-GJZGRUSLSA-N 291.416 3.586 30 20 CHED C=CCN(Cc1cnc(C2CC2)o1)c1ccccc1 628247132 PHPCHRCXUXTEQO-UHFFFAOYSA-N 254.333 3.745 30 20 CHED C=CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C1 628484365 LEJORHMMMQBBLN-VHDGCEQUSA-N 289.806 3.868 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc3oc(C)nc23)C1 640241403 ZGHWZOPKSUOVEB-CYBMUJFWSA-N 299.374 3.956 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1 642049423 NNSVQGYLKLMKNL-HOCLYGCPSA-N 287.403 3.902 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nccn1CC 658029990 UTTOCBCWADZKRH-ZNMIVQPWSA-N 261.413 3.689 30 20 CHED C=CCCNC(=O)N[C@@H](CC)c1ccc(Cl)s1 661570388 FGTVWVJPJXQHBP-VIFPVBQESA-N 272.801 3.728 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 664594978 IJHIHVOUKJRIIL-GJZGRUSLSA-N 296.455 3.624 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(OC)c(OC)c1 665156499 LCWKPYFXTSLQCE-UHFFFAOYSA-N 292.379 3.570 30 20 CHED C=C[C@@H](C)NC(=O)NC1CCC(c2ccc(F)cc2)CC1 679763505 PBJZKXQRYHMIIR-XEBKBJJBSA-N 290.382 3.726 30 20 CHED C=CCC1(C(=O)Nc2cnn(CC(C)C)c2CC)CCC1 682926025 IGANPGRHQRYEDV-UHFFFAOYSA-N 289.423 3.786 30 20 CHED C#C[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)C(C)(C)C 702267278 PRXSFHFDSYVESK-SRVKXCTJSA-N 261.331 3.745 30 20 CHED COc1cccc(NN=C2CCc3ccccc3C2)c1 725853179 MFRTVGGWIXBNKT-UHFFFAOYSA-N 266.344 3.652 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](C)CC(C)C 727667162 HILYLMUWNLFPAZ-OAHLLOKOSA-N 289.394 3.860 30 20 CHED Cc1cc(C(=O)OC(C)C)c(C)n1-c1ccc(C#N)cc1 728372964 WAASMIVSTKJBPV-UHFFFAOYSA-N 282.343 3.531 30 20 CHED C#Cc1cccc(N(C)C(=O)Cc2cc3ccccc3o2)c1 728481511 IDEHNCRJYFKQAR-UHFFFAOYSA-N 289.334 3.620 30 20 CHED CC[C@@H](CC(=O)OCCOc1ccc(C#N)cc1)C(C)C 729758484 LTTQWPLITUXHDY-HNNXBMFYSA-N 289.375 3.553 30 20 CHED CC[C@H](CC(=O)OCc1ccccc1C#N)C(C)C 729764528 YJRVBLDDTLUYJM-CYBMUJFWSA-N 259.349 3.674 30 20 CHED C#CCOc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 730982854 WRSBSHSSXSRGMT-UHFFFAOYSA-N 293.366 3.615 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cnn(C(C)C)c1 732714146 NCLDIBYOOCUNNZ-SOFGYWHQSA-N 284.359 3.677 30 20 CHED CCCOC(=O)c1cccc(COc2cccc(C#N)c2)c1 734592541 KCOUYUQQEMDVEY-UHFFFAOYSA-N 295.338 3.704 30 20 CHED c1ccc(C[C@@H]2CCCC2=NNC2CCCC2)cc1 735614383 WFJSYDZLZFCZLU-HNNXBMFYSA-N 256.393 3.917 30 20 CHED CCCCCCCN1CC[C@@H](CNC(=O)OC(C)(C)C)C1 740875961 JVLUOHASAUOVGV-HNNXBMFYSA-N 298.471 3.803 30 20 CHED Clc1ccc(NN=Cc2c[nH]c3ncccc23)cc1 741758783 BXAATFCBADTAJE-UHFFFAOYSA-N 270.723 3.662 30 20 CHED Cc1nc(Cl)cc(NN=Cc2c(C)[nH]c3ccccc23)n1 741764072 RVBBNCJVIXQVIR-UHFFFAOYSA-N 299.765 3.674 30 20 CHED Cc1ccc(N2CCC[C@@H](/N=C/c3ccccc3O)C2)cc1 741842744 IIBKGICXAUIQQD-UOBPLZBXSA-N 294.398 3.789 30 20 CHED C#CCOc1cc(F)ccc1NCc1cccc(F)c1 742260644 KVNHTMOKFGWMOV-UHFFFAOYSA-N 273.282 3.589 30 20 CHED CC#CCOC(=O)c1sc2cccc(F)c2c1C 744581624 TXNROOXLLJFEMZ-UHFFFAOYSA-N 262.305 3.529 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc([S@@](C)=O)cc1 746366598 PXPWQMVCZHMJBA-HXUWFJFHSA-N 286.400 3.569 30 20 CHED c1ccc(CC(=NOCc2cccnc2)C2CC2)cc1 746587115 DVBFXYYNRLCMKX-UHFFFAOYSA-N 266.344 3.607 30 20 CHED CC1(C)[C@@H]2C[C@@H]1CC=C2COC(=O)c1sccc1C#N 748053446 OUZRCPDCUJBHCX-QWHCGFSZSA-N 287.384 3.769 30 20 CHED CC[C@](C)(C#N)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 749373699 MZGSAWWBYUKUJI-ZVBPTUHVSA-N 284.403 3.806 30 20 CHED CC(C)C(=NNc1oc(C(C)(C)C)nc1C#N)C1CC1 750937315 PQDJCVQTHGBXPI-UHFFFAOYSA-N 274.368 3.678 30 20 CHED Cc1ccc2c(CCC(=O)O[C@@H](C#N)C(C)C)c[nH]c2c1 751160156 NHJPQAXYZIXYJJ-INIZCTEOSA-N 284.359 3.500 30 20 CHED C#CCN(CC)C(=O)Nc1cc(Cl)c(C)cc1Cl 752310982 YVHCJPHZVGFSGU-UHFFFAOYSA-N 285.174 3.789 30 20 CHED COc1cccc(CC(=NOCC(C)C)C2CC2)c1 752732571 BHPRVWNXKZHHDI-UHFFFAOYSA-N 261.365 3.676 30 20 CHED CN(C(=O)/C=C\Sc1ccccc1)c1ccccc1C#N 752820559 ZVGWWNQGJUQJSD-QXMHVHEDSA-N 294.379 3.827 30 20 CHED CCCCCCCCNC(=O)N(C)CCC1CC1 754865395 NQCMWBVITALSRA-UHFFFAOYSA-N 254.418 3.788 30 20 CHED O=C(O)c1ccc(NN=C[C@H]2CCc3ccccc32)cc1 755455187 LXGGIXMHTTULLF-CQSZACIVSA-N 280.327 3.513 30 20 CHED CC(=NO[C@H]1CCCCO1)c1cccc(OC(F)F)c1 755817310 YWFSAOPSGHGTAG-ZDUSSCGKSA-N 285.290 3.555 30 20 CHED C#CC[C@H](NC(=O)C[C@H](C)CC(C)C)c1ccccc1 757594317 BOWAETPPMRHAND-WBVHZDCISA-N 271.404 3.940 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccccc1[N+](=O)[O-] 759653067 NYEBSBHQKJMFFQ-UHFFFAOYSA-N 287.294 3.878 30 20 CHED N#CCc1ccc(C(=O)O[C@H]2CCc3ccc(F)cc32)cc1 759896190 QKNNXHKZBQYYCM-KRWDZBQOSA-N 295.313 3.736 30 20 CHED C=CCCC(=O)COC(=O)C1(c2ccccc2)CCCC1 761372124 JGMZLXJRLMOCSP-UHFFFAOYSA-N 286.371 3.577 30 20 CHED COc1cc(F)ccc1NN=C(C)CC1CCC1 761885712 XLEJHLCLHDZENV-UHFFFAOYSA-N 250.317 3.812 30 20 CHED C#CCOc1ccccc1-c1noc(C=C2CCCC2)n1 761993335 PDZJCNWRLGMNLX-UHFFFAOYSA-N 280.327 3.706 30 20 CHED C#CCCc1noc(COc2ccc(C(C)C)c(C)c2)n1 762000617 INMGAMWBZAKYLU-UHFFFAOYSA-N 284.359 3.646 30 20 CHED CCN(CC)c1ccc(/C=N\[C@@H]2CCC(F)(F)C2)c(O)c1 763096233 IBYUQTQDDHEJJK-LPXFMOJISA-N 296.361 3.845 30 20 CHED CC(C)O[C@@H]1CC(=NNc2cccc([N+](=O)[O-])c2)C1(C)C 764886861 UILCJYFJFUPVFJ-CQSZACIVSA-N 291.351 3.586 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1c(C)cccc1C 765980434 BNISHAMWOCMVTG-LSDHHAIUSA-N 276.376 3.889 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1ccc(Cl)nn1 766681593 AEJRELYEYLWZDW-JTQLQIEISA-N 286.766 3.762 30 20 CHED CC(CC1CCC1)=NNc1cc(C#N)cc(Cl)n1 768382756 ZHGGUODAZBQZOH-UHFFFAOYSA-N 262.744 3.585 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1=Cc2ccccc2OC1 768538529 WKYIRWYCFUXGNQ-UHFFFAOYSA-N 299.370 3.726 30 20 CHED CCC[C@@H]1C[C@@H](C(=O)OCCCCC(C)(C)C#N)CCO1 768843671 AGBRMJWUDCPALA-LSDHHAIUSA-N 295.423 3.845 30 20 CHED C#CCCOc1ccc(CN(C(C)C)C2CCC2)cc1 769469733 DMZZFAZHIIYSFU-UHFFFAOYSA-N 271.404 3.852 30 20 CHED CC[C@@H](C)CN(CC)Cc1ccc(N(C)CCC#N)cc1 769536501 AMBGMDYJXSHKHW-MRXNPFEDSA-N 287.451 3.904 30 20 CHED O=C1CCCN1N=Cc1ccc(Sc2ccccc2)cc1 769588223 FSJMWWWRMHKZTN-UHFFFAOYSA-N 296.395 3.794 30 20 CHED N#Cc1ccc(OC(=O)c2cc3cc(F)ccc3o2)c(F)c1 769739607 WKOZDGMBXCIJDA-UHFFFAOYSA-N 299.232 3.802 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2cc(C#N)cs2)C[C@H]1C 770992117 BSHZVLFURQZSAV-FOGDFJRCSA-N 263.362 3.601 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccccc1C1CC1 773158246 AQCVJYVGHNROFR-YVLHZVERSA-N 286.334 3.928 30 20 CHED CCCc1cccc(C=NNc2nccnc2Cl)c1 774385719 REHFRFXWZNRUDL-UHFFFAOYSA-N 274.755 3.529 30 20 CHED CCC(CC)CNN=Cc1cn(CCC#N)c2ccccc12 774474288 YBECZHQTYCKMGX-UHFFFAOYSA-N 296.418 3.915 30 20 CHED CCOc1ccc(/C=N/Cc2cscc2C)c(O)c1 775236559 XOIRVIMZOGIMFY-FRKPEAEDSA-N 275.373 3.780 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)OCCC(C)(C)C#N)C1(C)C 776365410 GOZOTCOEONHFIM-QWHCGFSZSA-N 263.381 3.708 30 20 CHED Cc1ccc(CC(=O)OCCC(C)(C)C#N)c(Cl)c1 776397924 SADXVJKQIGEJNE-UHFFFAOYSA-N 279.767 3.674 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1CCCC(C)(C)C1 776398872 PJLNIFNDXOLNLP-LBPRGKRZSA-N 251.370 3.686 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1nc2ccccc2cc1C 776786428 UZRWOVFHZNTKHB-AWEZNQCLSA-N 283.375 3.758 30 20 CHED CC(C)[C@H]1CCCN(C(=O)Cc2ccccc2CC#N)CC1 776927496 DKBNVPWLGZYZLK-INIZCTEOSA-N 298.430 3.580 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(OCc2ccccc2)cc1 779223089 KLBAUPYVXARLBY-UHFFFAOYSA-N 295.338 3.725 30 20 CHED C#CCCCCCC(=O)Nc1cccc(OCC)c1 779855380 JPBQOHCXAHZTTN-UHFFFAOYSA-N 259.349 3.608 30 20 CHED CC(=NN=C1CC[C@](C)(c2ccccc2)C1)c1cnccn1 780227399 JERHBVCSAKLTQJ-SFHVURJKSA-N 292.386 3.783 30 20 CHED Cc1cccnc1C=NNc1ncc(Cl)cc1Cl 781581514 GPWADZHCLIVHGX-UHFFFAOYSA-N 281.146 3.538 30 20 CHED Cc1cccnc1C=NNCc1ccc(Cl)cc1Cl 781590089 UVBMKHKCBANCJB-UHFFFAOYSA-N 294.185 3.821 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)[C@]1(C)CCCO1 782272393 PUGNVBDOZUORPG-ROUUACIJSA-N 288.435 3.788 30 20 CHED C=CCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1F 783092644 JMTHWTJHBCLWRE-UHFFFAOYSA-N 281.283 3.637 30 20 CHED CCCCCCC1=NN/C(=N/C(C)(C)C)SC1 783934353 DLUQTTIMEDFDEM-UHFFFAOYSA-N 255.431 3.804 30 20 CHED CCc1cccc(COC(=O)c2ccccc2CC#N)c1 787615926 BPDFHJSRVSBCKM-UHFFFAOYSA-N 279.339 3.672 30 20 CHED Cc1ccc(CCCC=NOC[C@H]2CCOC2)cc1C 788036261 FVYPHQLCMAMCRI-KRWDZBQOSA-N 275.392 3.665 30 20 CHED C#CCC1(C(=O)NC2CCC(F)(F)CC2)CCCCC1 788235093 CYVHTVHHOOELHR-UHFFFAOYSA-N 283.362 3.654 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC12CCCC2 788699625 ZQNVLFYFMMTXTJ-UHFFFAOYSA-N 259.309 3.717 30 20 CHED CC(C)C(C=NNc1ccc([N+](=O)[O-])cc1)C(C)C 788928321 FYNAWWGFBSKZRV-UHFFFAOYSA-N 263.341 3.921 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cc(C)nn2C)c1 789157401 ZWAFNEWMZCKABN-MDZDMXLPSA-N 268.360 3.577 30 20 CHED CC[C@@H](C)NN=Cc1cc(C)c(C)cc1OC(F)F 790189541 OWTGRQYCBRXXEW-LLVKDONJSA-N 270.323 3.627 30 20 CHED CCCCCCCC(=O)Oc1ccc(OC)c([N+](=O)[O-])c1 792122985 GUGZMHJEGPRVQQ-UHFFFAOYSA-N 295.335 3.869 30 20 CHED Cc1noc(C2CCC(=NNCC3(C)CCCC3)CC2)n1 793090458 SKKBNOWAUPPRJO-UHFFFAOYSA-N 290.411 3.562 30 20 CHED C[C@H](NN=CCCc1ccc2c(c1)CCO2)C(C)(C)C 793114761 NHYZHJBPLYSCQM-ZDUSSCGKSA-N 274.408 3.564 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@@H]2CC[C@@H](C)C2)cc1 793346734 JOHLTUSFHWNJEB-IJEWVQPXSA-N 272.392 3.503 30 20 CHED COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C#N)o1 794185736 PZEJSVDFJJXLNH-UHFFFAOYSA-N 298.342 3.710 30 20 CHED O=C(/C=C/c1c(F)ccc(O)c1F)c1ccc(F)cc1 794925860 FGTODGCUUWMZOF-FNORWQNLSA-N 278.229 3.706 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNCc1ccccc1N(C)C 794955808 DMFBLTIMRYWGIR-CABCVRRESA-N 273.424 3.654 30 20 CHED CCCCCC[C@H]1CCCC1=NN(C)CCOC 794968572 RMNOOQWRUUFYQQ-AWEZNQCLSA-N 254.418 3.691 30 20 CHED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccncc1 796040416 OPQQDBNZMYZIEG-ZDUSSCGKSA-N 294.354 3.801 30 20 CHED C=CCC(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2o1 796776075 SXQHXBNTGIMFEY-NSHDSACASA-N 268.316 3.606 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N(C)CC(C)C 797458011 SZXCACQVYBHMKB-UHFFFAOYSA-N 274.408 3.773 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)nc1 797569037 ZYVYNXYQZGRGOF-NSHDSACASA-N 299.399 3.634 30 20 CHED C#CCCCOC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798787583 SOFPQBBSDZZWRX-LLVKDONJSA-N 284.277 3.766 30 20 CHED COc1cc(/C=C/C(=O)c2cc(F)ccc2F)ccc1C#N 799495455 RIJCYAJRZJYULT-XVNBXDOJSA-N 299.276 3.741 30 20 CHED C=C[C@H](CC(=O)OC[C@@H](F)C(F)(F)F)c1ccccc1 800191015 QVBUQCQBSJZEEX-ZYHUDNBSSA-N 290.256 3.790 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1CCCC(F)(F)C1 800720396 COQFJKGHZJFWIP-JDAJCMJVSA-N 253.292 3.637 30 20 CHED Cc1cccc2c1OCC[C@H]2OC(=O)CCCCCC#N 805928560 WKBMAQZBIKVBRQ-OAHLLOKOSA-N 287.359 3.836 30 20 CHED C=CCOC(=O)c1ccc(-c2ccccc2Cl)o1 807581772 MVNMTEKESPXFDR-UHFFFAOYSA-N 262.692 3.943 30 20 CHED C#C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)C(C)(C)C 807882195 KOLFEJNEQYACBC-CQSZACIVSA-N 289.806 3.536 30 20 CHED COc1ccc(C=NNc2ccc(C)cc2)c(C)c1OC 807942846 FCUYSUSACGSUFT-UHFFFAOYSA-N 284.359 3.767 30 20 CHED Cc1csc(NC(=O)/C=C/c2cccc(F)c2)c1C#N 809003551 ZAHHIGIJPDZPEK-AATRIKPKSA-N 286.331 3.719 30 20 CHED C[C@@H]1CC/C(=C/C(=O)Nc2cc(C#N)c3ccccc3n2)C1 809077232 NGFIBPBQXZPQTD-FNWMBBJUSA-N 291.354 3.791 30 20 CHED C=C(C)CNC(=S)N1CCC(C)(CC(C)C)CC1 809160767 ZFWIXPGEBRSRND-UHFFFAOYSA-N 268.470 3.585 30 20 CHED C#Cc1ccc(CN[C@H](C#C)c2ccc(Cl)cc2F)cc1 809698737 GAHMNQKABIJIJN-GOSISDBHSA-N 297.760 3.925 30 20 CHED C#Cc1ccccc1Cc1nc(-c2cc(F)cc(F)c2)no1 810279879 LZVMKHCGAWDSKE-UHFFFAOYSA-N 296.276 3.587 30 20 CHED C#C[C@@H](NCc1ccc(C#N)c(C)c1)c1ccc(Cl)cc1 811516551 PEUMHWYQWXFTDG-GOSISDBHSA-N 294.785 3.984 30 20 CHED Cl/C=C\CON=C(C[C@@H]1CCOC1)c1ccccc1 811670262 NZSGXVYCEUNCQK-JRNTZFHDSA-N 279.767 3.586 30 20 CHED C#Cc1ccccc1CC(=O)N(C)C1CCCCCCC1 811889671 XOICMODKDMRQMC-UHFFFAOYSA-N 283.415 3.782 30 20 CHED Cc1nc(Nc2ccc(N3CCCC3)c(F)c2)ccc1C#N 813587387 CBIZJHIGRFOQOD-UHFFFAOYSA-N 296.349 3.745 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1cccc([N+](=O)[O-])c1 814694523 NYFFICYOHYQJSN-ZDUSSCGKSA-N 286.335 3.713 30 20 CHED c1ccc2nc(NN=C3CC[C@@H]3C3CCC3)cnc2c1 814830397 JQYAEOWXVBODEH-GFCCVEGCSA-N 266.348 3.608 30 20 CHED Clc1cccc(NN=C2COc3cccc(Cl)c32)n1 814939316 MWMMMTKZVAWKCS-UHFFFAOYSA-N 294.141 3.597 30 20 CHED C=CCC(F)(F)C(=O)N(CC)Cc1cccc(Cl)c1 814941523 KMGNGSNSGCSPHK-UHFFFAOYSA-N 287.737 3.900 30 20 CHED CCC(=NNc1ccc(F)c(F)c1F)c1ccco1 814945032 IKTMXUVRGCFCHF-UHFFFAOYSA-N 268.238 3.923 30 20 CHED CC(C)(C=NNc1ccc(F)c(F)c1F)CCC#N 814945685 LEPUUIUZBJVRMC-UHFFFAOYSA-N 269.270 3.832 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](CC)c1ccccc1 815312865 LWLLGPDTYAEPPW-LBPRGKRZSA-N 254.276 3.892 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C 815888560 QYLZEEHNDRMFKE-RISCZKNCSA-N 279.330 3.638 30 20 CHED C=C[C@H](CC)CC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 820447461 HTJGHJNXCWWONX-CJNGLKHVSA-N 272.392 3.593 30 20 CHED CC(C)C#CC(=O)N(C)Cc1c(Cl)cccc1Cl 821114092 VNFOEGFSMZGZHS-UHFFFAOYSA-N 284.186 3.611 30 20 CHED C=CCC(C)(C)c1noc(C2C[C@@H]3CCC[C@H](C2)C3N)n1 823248971 ZNUJHSCPVHAOSE-VTXSZYRJSA-N 289.423 3.544 30 20 CHED C[C@@H](C[C@H](O)c1ccccc1)NC1CCC(C)(C#N)CC1 824057607 HUOOCMIXLWQWOT-VNCIIQTRSA-N 286.419 3.561 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1CC)c1ccccc1 827395194 DUKZKMRYKNUDNY-UAGQMJEPSA-N 269.388 3.694 30 20 CHED CCc1nc(CNc2ccc(C(F)(F)F)cc2C#N)co1 829178028 ZFXIRVNHUPBGON-UHFFFAOYSA-N 295.264 3.740 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)CCCC1 832456482 ZFLXZBVTIGFOBP-GFCCVEGCSA-N 291.366 3.954 30 20 CHED CC(=NNc1ccc(C)cc1Cl)[C@@H]1CCCO1 835012103 QRNAYUGSCDINAM-ZDUSSCGKSA-N 252.745 3.615 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2=CCC(C)(C)CC2)n1 835038082 UGPVEICYOIHTPU-LBPRGKRZSA-N 274.389 3.764 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835177924 JWKQXUXBJORGAX-NXEZZACHSA-N 270.250 3.531 30 20 CHED CN(C(=O)C#CC1CC1)C1c2ccccc2-c2ccccc21 837452081 RQXNGWJDQLADGT-UHFFFAOYSA-N 287.362 3.628 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)C#CC(C)(C)C)C1 837643051 KUEXUWRROGNOBW-ZBFHGGJFSA-N 269.388 3.646 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](CC)c1ccnc(Cl)c1 838916114 RVJAZWABXSHPET-AAEUAGOBSA-N 297.782 3.711 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(C)s1 839041635 BYQSLTGKTOZLQS-NEPJUHHUSA-N 263.362 3.604 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H](c1ccccc1)C1CC1 839042706 MSFPATMQUBTJPX-XJKSGUPXSA-N 256.345 3.525 30 20 CHED CCc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)s1 839053341 DCGAAOGASCHFTD-MNOVXSKESA-N 263.362 3.550 30 20 CHED COc1cc2c(cc1C=NOCc1ccccc1)O[C@H](C)C2 839421826 OFGFRQCSDKABTR-CYBMUJFWSA-N 297.354 3.569 30 20 CHED Cc1cccc(NC(=S)NCC(C)(C)CC#N)c1C 840845849 QSOMSUGYYQHXMJ-UHFFFAOYSA-N 275.421 3.530 30 20 CHED C#CCCCCCC(=O)Nc1c(OC)cccc1SC 841374241 PCSIKCHTICJDLP-UHFFFAOYSA-N 291.416 3.939 30 20 CHED CC(=NNc1ncccc1F)[C@@H]1C[C@H]1c1cccs1 841638010 ZSOOFOZGKQPDJU-WDEREUQCSA-N 275.352 3.874 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc2oc(C)c(C)c2c1 844633071 VZQZAOXPEAVJJM-SECBINFHSA-N 274.320 3.677 30 20 CHED N#C[C@H](OC(=O)c1coc2ccc(Cl)cc12)C1CC1 845479144 IZXNGRPKFOBPRO-ZDUSSCGKSA-N 275.691 3.545 30 20 CHED C=C[C@H](C)ONC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 846546009 RLQPBDGZGLXKEZ-JCURWCKSSA-N 281.355 3.566 30 20 CHED C=CCC[C@H](OC(=O)c1cn(C(C)C)nc1C)C1CC1 847667219 VUNRKMSSWMWERE-HNNXBMFYSA-N 276.380 3.674 30 20 CHED CCc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1O 848898565 WEIQGRKHCRYCIZ-CYBMUJFWSA-N 280.371 3.677 30 20 CHED Cc1ccc([C@H](C)C(=O)O[C@H](C)CC(C)(C)C#N)o1 851210520 WCTGJBAKSVFUPH-NEPJUHHUSA-N 263.337 3.563 30 20 CHED C=CC(C)(C)CCOC(=O)c1ccc(C(F)F)nc1 851300087 CVYGTIBDZAJCGO-UHFFFAOYSA-N 269.291 3.778 30 20 CHED C=C[C@@H](OC(=O)[C@@H]1CCCCS1)c1ccccc1 851451125 CWERQIQZMMMVGH-KGLIPLIRSA-N 262.374 3.743 30 20 CHED CCN(Cc1cc(C)cc(C(C)(C)C)c1O)[C@@H](C)C#N 853582401 NBZBYTAJLXOEIS-ZDUSSCGKSA-N 274.408 3.732 30 20 CHED C#C[C@](C)(CC)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 854703783 DJXFPDQNBNNMEV-IAQYHMDHSA-N 297.320 3.727 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(COC)cs1 857043154 MBFDVULKXWEGLA-UHFFFAOYSA-N 280.389 3.706 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(CF)cc1 857594682 ZBEPLRJXZCLASX-UHFFFAOYSA-N 276.355 3.748 30 20 CHED C=CCC(C)(C)C(=O)OC[C@H](OC)c1ccc(F)cc1 859703865 HAIJTZNFPDDEDY-AWEZNQCLSA-N 280.339 3.659 30 20 CHED CCCCCCCNC(=O)Cc1cnn(-c2ccccc2)c1 862360666 WVDGANWRANABSG-UHFFFAOYSA-N 299.418 3.501 30 20 CHED C=C1CCC(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CC1 888551697 BHVIORRIFGGMFK-JKSUJKDBSA-N 273.351 3.544 30 20 CHED C=C1CC(c2noc([C@H]3CC(c4cccc(F)c4)=NO3)n2)C1 896883694 HDPOLZPZNUPYBD-CQSZACIVSA-N 299.305 3.508 30 20 CHED CSC1(CN2CCC(c3ccc(C#N)cc3)CC2)CC1 897588587 HDQBXIJUDWEGLD-UHFFFAOYSA-N 286.444 3.633 30 20 CHED C[C@@H](CC(=O)OCCCCC1(C#N)CCC1)C1CC1 908954110 RWGUSEVEECHHLT-ZDUSSCGKSA-N 263.381 3.830 30 20 CHED CCC(CC)CN(CC)C(=O)/C=C\c1ccccc1C#N 915283069 FAKGNTVUIDYQBU-QXMHVHEDSA-N 284.403 3.856 30 20 CHED COc1ccc(C(C)=NNc2cccc(C)c2)c(F)c1 916255289 PJPWHCPKFWEPDS-UHFFFAOYSA-N 272.323 3.979 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 920384310 RCMHTMJWMPNLFR-UHFFFAOYSA-N 273.267 3.570 30 20 CHED Cc1cccc(/C=C2\COc3c(F)cccc3C2=O)c1 921266362 OMHSCGGRTRZGHU-UKTHLTGXSA-N 268.287 3.793 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2c(C)cccc2o1 930117759 XQRNQLPXRWJSMW-UHFFFAOYSA-N 257.333 3.779 30 20 CHED C=CCCc1ccccc1NC(=O)CCc1cc(C)on1 935833048 QPJMFRSIUHPYNI-UHFFFAOYSA-N 284.359 3.673 30 20 CHED C=CCC[C@H](NC(=O)c1ccnc(OC)c1)c1ccccc1 1116322244 AODNVOVUWBZAJK-INIZCTEOSA-N 296.370 3.528 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1116429637 XTMRBJXTMQWRTC-MRVPVSSYSA-N 291.153 3.592 30 20 CHED C#CCCCNc1ccc2cc(Br)ccc2n1 1162448697 INLAEIZIBDXVHG-UHFFFAOYSA-N 289.176 3.823 30 20 CHED Cc1nc(NC[C@H]2CCCc3ccccc32)ccc1C#N 1162556189 ZPIJGHDKJBAHTB-MRXNPFEDSA-N 277.371 3.794 30 20 CHED C=CC(C)(C)C(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 1262821850 COQWJELDYNCSHB-CQSZACIVSA-N 289.423 3.682 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(C#N)cc1 1275981634 BIZYTHRBDCBDBR-ROUUACIJSA-N 298.430 3.823 30 20 CHED COC(=O)[C@H]1CCCC[C@@H]1CSc1ccc(C#N)cc1 1307292111 GYAREPDQDLLPMW-HIFRSBDPSA-N 289.400 3.630 30 20 CHED CCc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CCO2 1308366453 NNFHNNIMKGEMJV-GOSISDBHSA-N 292.382 3.734 30 20 CHED CC(C)C(=NNc1ccc(C(C)(C)C)nn1)C1CC1 1318681850 UWCUNNWTUXTUJG-UHFFFAOYSA-N 260.385 3.608 30 20 CHED C=C(Cl)C[S@](=O)Cc1cnc(-c2ccccc2)s1 1319623698 VOUJYHUXAPKWJJ-SFHVURJKSA-N 297.832 3.811 30 20 CHED N#Cc1cccc(COC(=O)CC(C2CC2)C2CC2)c1F 1319796612 HNAJJDYQNQKMEG-UHFFFAOYSA-N 287.334 3.567 30 20 CHED C=C[C@H](COC)N[C@@H](CC)c1ccc(OC(F)F)cc1 1320592982 VPOPMVHFJKPBNB-OCCSQVGLSA-N 285.334 3.530 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 1322689930 VRXPAPKKCUSWIX-GDBMZVCRSA-N 282.387 3.519 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)CC#Cc1ccccc1 1323877408 ZNVITDKOEOAMGC-IAGOWNOFSA-N 291.394 3.737 30 20 CHED CC[C@](C)(C#N)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1325093753 KQDQOFIVCGWPMT-OAHLLOKOSA-N 289.766 3.552 30 20 CHED Cc1coc(C(=O)Nc2cc(C#N)c3ccccc3n2)c1C 1327211948 WEBDGXOWKBIPAJ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CCCC[C@@](C)(F)c1nnc(-c2ccc(C#N)cc2)o1 1327354517 PFCXCZYELVPYRP-OAHLLOKOSA-N 273.311 3.983 30 20 CHED COc1ccc(Cl)cc1CCNc1ccc(C#N)cc1 1327994864 UGRWOMXYZIKYIM-UHFFFAOYSA-N 286.762 3.875 30 20 CHED Cc1c(C#N)cccc1-c1nc([C@H]2CC2(Cl)Cl)no1 1333745155 ANGIMRJTIZWQHG-SNVBAGLBSA-N 294.141 3.578 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1336217224 LDRPNGIRKOHMCX-BZZMCLGOSA-N 281.399 3.530 30 20 CHED CC(C)CCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1C#N 1338029905 CRGBQUVZAPTQOC-NSHDSACASA-N 294.782 3.601 30 20 CHED C=C(C)CCC(=O)Nc1cc(CSCC)ccn1 1338923582 FUYDZKZJDZETHB-UHFFFAOYSA-N 264.394 3.630 30 20 CHED COc1ccc(Cl)cc1C=NNCc1ccc(F)cc1 1340494350 BLEHJJMGJAEIGW-UHFFFAOYSA-N 292.741 3.611 30 20 CHED CCc1oc2ccccc2c1CC(=O)O[C@H]1CC[C@@H](C#N)C1 1342645599 MRXKPEMBZGWSBL-OLZOCXBDSA-N 297.354 3.773 30 20 CHED N#CCc1cccc(N2CCC[C@H]2c2ccc(F)cc2)n1 1342842169 LIRYIODYHFASCD-INIZCTEOSA-N 281.334 3.628 30 20 CHED CCC(CC)CN(CC)C(=O)c1ccc(C#N)cc1F 1346711109 IRAZZTSJTYYSGA-UHFFFAOYSA-N 276.355 3.596 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)O[C@@H]1CC[C@@H](C#N)C1 1347231132 NJXNOEMBIVIXFT-RRFJBIMHSA-N 263.381 3.994 30 20 CHED C=C(CC)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 1348751149 WQMVQGQZDSWFRK-YPMHNXCESA-N 283.293 3.644 30 20 CHED C=CCC1(C(=O)OCc2ccc(C#N)s2)CCCC1 1349878308 PFCUGZMYNYIQPM-UHFFFAOYSA-N 275.373 3.799 30 20 CHED Cc1ccc(CCC(=O)Nc2cc(C#N)ccc2F)s1 1436645054 STWBVZBBPKEQAJ-UHFFFAOYSA-N 288.347 3.639 30 20 CHED Cc1cc(NC(=O)[C@H](C)CC2CCCCC2)ncc1C#N 1437191587 XHUSJCYGOPEQMK-CYBMUJFWSA-N 285.391 3.807 30 20 CHED CCN(CCNc1cccc(F)c1C#N)c1ccccc1C 1472660715 SBRDPNSSFCGWFG-UHFFFAOYSA-N 297.377 3.944 30 20 CHED C[C@@H](NC(=O)c1sccc1C#N)C1CCCCCC1 1515032138 HSHGICBJZGPSJQ-LLVKDONJSA-N 276.405 3.708 30 20 CHED C=C(CC)C(=O)N1C[C@@H](C)C[C@@H]1c1ccc(OC)cc1 1548671334 NIXOLGFGFKKHLA-BLLLJJGKSA-N 273.376 3.571 30 20 CHED N#Cc1ccnc(SCc2cccc3ncccc23)c1 1559359828 VURIDHGDTWRLNG-UHFFFAOYSA-N 277.352 3.794 30 20 CHED COc1cc(C#N)ccc1CN1CCC(CC(C)C)CC1 1559592569 NKHHBPKHOKMZLL-UHFFFAOYSA-N 286.419 3.825 30 20 CHED C=CC1(CC(=O)Nc2cc(C(=O)O)cs2)CCCCC1 1588718577 CZKHUCVFOJLQDN-UHFFFAOYSA-N 293.388 3.911 30 20 CHED CC[C@@](C)(NC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 1596491195 SSJFLZZAXGVILS-GOSISDBHSA-N 296.345 3.753 30 20 CHED N#Cc1c(CN2CCCC23CCCCC3)cccc1C(=O)O 1601082425 UCZSJUNPFBZRDD-UHFFFAOYSA-N 298.386 3.555 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC(C)(C(C)C)CC1 1633419426 MWIAUKCNHOXOKS-UHFFFAOYSA-N 284.403 3.765 30 20 CHED Cc1cc(N2CCC(c3ccccc3C)CC2)c(C#N)cn1 1639761410 UVIDINXOCXLZKM-UHFFFAOYSA-N 291.398 3.954 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CCC[C@H](C)[C@@H]2C)n1 1639855651 RKHZZEVLSBLAGY-WHOFXGATSA-N 257.381 3.746 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)Cc2cc(C)cc(C)c2)n1 1651571955 AYBUCJKKRIAXQN-CQSZACIVSA-N 294.402 3.571 30 20 CHED CC(C)(C)OCCN1CCC(c2ccc(C#N)cc2)CC1 1656289589 ZZNKNSQQLFAMRF-UHFFFAOYSA-N 286.419 3.553 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H](C)C1 1659657275 FIUCKGREOSMRBN-GYSYKLTISA-N 289.354 3.644 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C#N)ccc2F)C1 1672625813 YLIASWLNLBHMGL-DGCLKSJQSA-N 289.354 3.788 30 20 CHED C/C(C=NNc1ccc(CC(=O)O)cc1)=C/c1ccccc1 1776083799 ZRINOPWMDQROTO-SHQJDNCNSA-N 294.354 3.815 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccc(C(=O)O)s2)c1 1776133708 MIZWONDCYXYWHF-FNORWQNLSA-N 286.352 3.959 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2csc(Cl)c2)C1 1776155870 LKOLWSOKELQSEV-AWEZNQCLSA-N 299.823 3.644 30 20 CHED C=CCC[C@H](C)N1C[C@@H](C(=O)O)C[C@H](c2ccccc2)C1 1776165369 GBDYVHWXPROCAC-XIRDDKMYSA-N 287.403 3.531 30 20 CHED CN(Cc1nc2ccccc2s1)Cc1ccccc1C#N 26263188 ARMLEWLZFVJMDA-UHFFFAOYSA-N 293.395 3.800 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1 36971499 HOZAXYGZCZKTQG-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C[C@@H](NC1CC(C)(C)NC(C)(C)C1)c1cccc(C#N)c1 37232539 DEDJAVWFZUBESQ-CYBMUJFWSA-N 285.435 3.518 30 20 CHED C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccccn1 37393295 YKMPTDGWMKAEMS-JTQLQIEISA-N 257.724 3.780 30 20 CHED Cc1ccccc1CN[C@@H](C)c1ccc(OCC#N)cc1 37719030 UPMOFGBLBZFUMY-HNNXBMFYSA-N 280.371 3.748 30 20 CHED C=C(C)CN(CC)C(=O)c1cn(CC)c2ccccc12 42034533 PQZMTPIOTGAOFE-UHFFFAOYSA-N 270.376 3.699 30 20 CHED Cc1cc([C@@H](C)NCc2ccccc2C#N)c(C)o1 44730547 QGNXKYWUYJNHIQ-GFCCVEGCSA-N 254.333 3.619 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cc(C)ccc1OC 45120964 UOINXXHBDVOZBP-AWEZNQCLSA-N 290.407 3.672 30 20 CHED N#Cc1ccc(NC(=O)NCC2CCCC2)cc1Cl 49003672 RODJMEKTHJKNIA-UHFFFAOYSA-N 277.755 3.523 30 20 CHED CC(C)c1ccsc1C(=O)[C@H](C#N)c1ccccn1 49004991 YMLJLGQTNAOXQX-GFCCVEGCSA-N 270.357 3.757 30 20 CHED Cc1ccc(C#N)cc1NCc1cc(F)ccc1F 50429768 KVPNMRLLGSACRB-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=CCN(C(=O)c1ccccc1OCC)c1ccccc1 57565791 QNXJQVQZUPMVGS-UHFFFAOYSA-N 281.355 3.918 30 20 CHED N#CCc1ccccc1C(=O)NC1CCCCCCC1 58241960 WOQRMISMMJLPOE-UHFFFAOYSA-N 270.376 3.595 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CNc1ccccc1Cl 58287551 LKRKDJFBVGNOAH-UHFFFAOYSA-N 299.761 3.571 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2cccc(F)c2)c1 59270154 MSHIVKDTRWHFMV-BQYQJAHWSA-N 251.260 3.593 30 20 CHED C=C(Cl)CSc1nnc(-c2cccnc2)n1C1CC1 73927857 GNPROJSLAYIKDP-UHFFFAOYSA-N 292.795 3.520 30 20 CHED Cc1ccc(CN(CCCSCC#N)C(C)C)s1 74989112 ATKNBAPGPDBCFI-UHFFFAOYSA-N 282.478 3.914 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1cncc(F)c1 78022998 VLNFSNWSXYFOGM-BQYQJAHWSA-N 285.318 3.904 30 20 CHED C[C@H]1CN(c2cccc(F)c2C#N)[C@@H]1c1ccccc1 78573423 ZIORNCLYYDFWQK-SJCJKPOMSA-N 266.319 3.895 30 20 CHED N#C[C@H](COC(=O)/C=C/c1cccs1)Cc1ccccc1 79221923 CNKKSGUUUZEVGG-XVJNWHFHSA-N 297.379 3.687 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(COc2ccccc2)cc1 84713017 RIGCIHORERZWRV-INIZCTEOSA-N 295.338 3.725 30 20 CHED C=CCC[C@H](N[C@@H]1CCOC2(CCCC2)C1)C1CC1 90527197 YOECRWVRNJUNKZ-CVEARBPZSA-N 263.425 3.813 30 20 CHED N#CC1(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)CCCC1 110576349 WYSZJDGTRMHDDN-HOTGVXAUSA-N 282.387 3.523 30 20 CHED CCCNc1nnc(S[C@H](C#N)C2CCCCC2)s1 115186423 JWNVRLMGQRXYDN-LLVKDONJSA-N 296.465 3.925 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 116805022 DDFHJAHZNQMUGU-YCPHGPKFSA-N 264.413 3.647 30 20 CHED Cc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(C)n1C1CC1 116807817 XUQOTYUWTJYVKV-KZULUSFZSA-N 299.418 3.642 30 20 CHED C=CC[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1 116851952 FNZUMKPTHBGKOV-GFCCVEGCSA-N 281.783 3.580 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(Oc2ccccc2)nc1 116857518 VNXMOCDYOKHRNW-CYBMUJFWSA-N 282.343 3.568 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(CSC)c1 117007362 NXEKZUDUSUTLJP-LLVKDONJSA-N 264.394 3.636 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(O)c(Cl)c1 119020291 OCHAIZUYEICCOE-HWKANZROSA-N 262.692 3.843 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(C)ccc1Cl 120552656 RJMDNFVAMKKYCX-UHFFFAOYSA-N 264.756 3.854 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cc2c(s1)CC[C@H](C)C2 120719305 WHQZDLVQWNJWRI-MEDUHNTESA-N 290.432 3.541 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](C)CCC 121360119 PQSKKXUXEOVXGC-OAHLLOKOSA-N 259.393 3.680 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 123824925 BMYSSEWNVZMSES-CXAGYDPISA-N 286.375 3.720 30 20 CHED C=CCOc1cccc(CN(CC)Cc2ccccn2)c1 124799889 MPNFBBJBJAKLMX-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C=C(CC)CC 126076615 GNGJVTUHUIMIOL-UHFFFAOYSA-N 273.351 3.534 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C#N)cc1 127814687 RVRHWTGDTPGNKG-WFASDCNBSA-N 271.364 3.601 30 20 CHED COc1cc(C#N)ccc1NCc1cccc(F)c1Cl 127956864 FUFQSWIVZHVJLX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1sccc1Cl 130200691 MKZFWVPXPNLHLY-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C=C[C@H](C)NCc1cc(Cl)ccc1Br 130465957 QNIZCHVQCSAPRB-QMMMGPOBSA-N 274.589 3.767 30 20 CHED C=CCCOC(=O)c1csc(-c2ccc(F)cc2)n1 132138585 VHOQXNFRNUHQHV-UHFFFAOYSA-N 277.320 3.682 30 20 CHED C[C@H](CCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 137166265 PKVHOUUFRMZUPX-OAHLLOKOSA-N 292.382 3.758 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)c1nc2ccccc2n1C 151643292 JJFKUJCCWMJDMO-ZDUSSCGKSA-N 298.386 3.946 30 20 CHED CCN(C(=O)[C@@H](C)c1ccsc1)c1ccc(C#N)cc1 152180753 PMQIFGUGNBHJAF-LBPRGKRZSA-N 284.384 3.776 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(CCC#N)Cc2cccnc2)C1 154016446 ZAQYWGGTMAGLFC-HOTGVXAUSA-N 299.418 3.540 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 154154871 VARLKZIISCITPH-GDPRMGEGSA-N 284.186 3.788 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ccccc1-c1cccs1 154390966 BDBGMJBJHDVGQH-LLVKDONJSA-N 285.372 3.839 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(OC(F)F)cc1 155626086 RHDNECSYHXLCLW-LBPRGKRZSA-N 285.334 3.531 30 20 CHED C[C@H](CC(=O)N(C)CCC#N)c1cccc(C(F)(F)F)c1 157039142 DNYYZILAMYHLIF-LLVKDONJSA-N 298.308 3.571 30 20 CHED CC(=O)c1cc(F)ccc1OCc1ccc(F)c(C#N)c1 157968339 BAPQFXMAFDANQH-UHFFFAOYSA-N 287.265 3.618 30 20 CHED N#Cc1ccccc1COc1cc(Cl)ccc1C#N 161646567 NRTPPYQZXGNZMH-UHFFFAOYSA-N 268.703 3.662 30 20 CHED CC[C@@H](NCc1ccccc1C#N)c1nc(C)cs1 162026998 GCTDHULCCGUIDW-CQSZACIVSA-N 271.389 3.564 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCC[C@H](C)C1 163834876 QESBLZVUKDWVDO-LSDHHAIUSA-N 264.413 3.601 30 20 CHED CCN(C(=O)[C@@H](C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 171919317 PGHMDAHXNDAPSI-KBPBESRZSA-N 272.392 3.760 30 20 CHED N#CCCCSc1nnc(CCCc2ccccc2)o1 172975353 CSHFCGFKKQSSMR-UHFFFAOYSA-N 287.388 3.641 30 20 CHED C=CCOCCCC(=O)N(C)[C@H](C)c1ccccc1Cl 173362886 WFSPNTLORHRPBQ-CYBMUJFWSA-N 295.810 3.842 30 20 CHED CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1F 174061915 FUFFAFOFLWPWRR-CYBMUJFWSA-N 298.361 3.947 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 175158632 SVTFDRFTIDQVAQ-ICSRJNTNSA-N 287.362 3.511 30 20 CHED CN(C(=O)[C@H]1CC=CCC1)c1cc(Cl)ccc1C#N 176433468 XTCJUOUJOFMIQQ-NSHDSACASA-N 274.751 3.531 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)c1cc(C#N)cs1 176854925 WQRFZAHOXNSFCZ-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C=CCN1CCC(N[C@H](C)c2cccc(Cl)c2)CC1 177909209 YZZJTZZASUCULI-CYBMUJFWSA-N 278.827 3.641 30 20 CHED C[C@@H](CC#N)NC(=O)Cc1cc2c(ccc3ccccc32)o1 178767959 ANOBCXUYZBLLRO-LBPRGKRZSA-N 292.338 3.547 30 20 CHED C#CCCCCC(=O)Nc1cccc2ccccc12 179662794 ARKAEAXKGZCJOS-UHFFFAOYSA-N 251.329 3.972 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1cc(F)cc(F)c1 180315319 XFXKWJCIMYPGEH-SNAWJCMRSA-N 284.265 3.509 30 20 CHED C#CCCCNC(=O)c1ccc(C(F)(F)F)cc1Cl 181900871 JBICOGQHWTWNEG-UHFFFAOYSA-N 289.684 3.502 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cccc(F)c1F 182596947 DBGGSDKDHWNKOP-LLVKDONJSA-N 288.297 3.868 30 20 CHED Cc1nnc(SCc2c(F)cccc2F)c(C#N)c1C 182716903 JQHYKRPIIQMRDN-UHFFFAOYSA-N 291.326 3.536 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@H](C)c1ncc(C)s1 183852089 YKLPLQQMDZVNSB-NWDGAFQWSA-N 295.452 3.599 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(F)c(SC)c(F)c1 184379350 RWSQIEGBKJBEHO-UHFFFAOYSA-N 286.347 3.727 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(CCN3CCCC3)cc2)C1 185741652 MEVDCJNCODMKFK-HKUYNNGSSA-N 297.446 3.819 30 20 CHED C=CCCN(CCc1cccnc1)OCc1ccccc1 187379147 VNJJSKSQPVETTM-UHFFFAOYSA-N 282.387 3.634 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2ccc(C)s2)CCC1 187883253 RTDTUINATSKREZ-GFCCVEGCSA-N 277.433 3.850 30 20 CHED C=C[C@](C)(CC)C(=O)N(Cc1ccccc1)C1CC1 187949969 DSBYFSVSEMIXIT-QGZVFWFLSA-N 257.377 3.780 30 20 CHED C=CCC1(C(=O)NCCc2c(C)cccc2C)CCC1 189509701 LFUUFCKZRQYIRE-UHFFFAOYSA-N 271.404 3.709 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](Nc3ccccc3)C2)CCC1 189557957 BSQALNYWXWAKAG-KRWDZBQOSA-N 298.430 3.836 30 20 CHED C#CCCCC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 192004337 DFYXYGDSYMWFEU-UHFFFAOYSA-N 281.359 3.572 30 20 CHED N#Cc1ccc(CNC2(c3cccc(F)c3)CC2)cc1F 192158550 IKNYWNGMGHNPJG-UHFFFAOYSA-N 284.309 3.615 30 20 CHED C=CCC1(C(=O)Oc2ccc(C(C)=O)cc2)CCC1 192190366 IOWDSRMRPRVSDB-UHFFFAOYSA-N 258.317 3.541 30 20 CHED COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)ccc1C 193151087 CAHGQXULKNHTIS-CMDGGOBGSA-N 298.386 3.986 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccsc1 214330084 QDFVISNRYAGZDT-UTCJRWHESA-N 259.286 3.552 30 20 CHED COc1cccc(CCNc2ccc(C#N)c(Cl)c2)c1 225726798 SKVDHRUYBKSMAJ-UHFFFAOYSA-N 286.762 3.875 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc(Br)cs1 226397661 DAFKKAIFDFCKSV-ZETCQYMHSA-N 280.618 3.914 30 20 CHED Cc1ccc(OCc2ccc(C#N)cc2F)cc1F 226418614 MQWMHWAVHRIGAI-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CCc1nnc(S[C@H](C)C(C)C)c(C#N)c1CC 229734125 QFHGUDJJVKFJCI-SNVBAGLBSA-N 263.410 3.610 30 20 CHED N#Cc1cc(CN2CCCc3ccccc3C2)ccc1F 229750047 WBZGRSXUJMTNGQ-UHFFFAOYSA-N 280.346 3.646 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 232039482 DFRKCSQQZXSNAW-LURJTMIESA-N 275.110 3.621 30 20 CHED C[C@H](Nc1nccc(C#N)c1Cl)c1ccccc1 235538946 OYWAKZMEDHQGSW-JTQLQIEISA-N 257.724 3.780 30 20 CHED C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(C#N)cc1 246386519 HJUYZLBLAGQPDU-LIRZEXBASA-N 296.414 3.557 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1c(F)cccc1F 249876317 LTOFEZBRFRZRFN-WDEREUQCSA-N 252.308 3.507 30 20 CHED CCn1cc(C(=O)/C=C\c2coc3ccccc23)cn1 254988035 JTENGIWQOXUHNX-FPLPWBNLSA-N 266.300 3.545 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)O)c(C)cc1C 262889701 AFVQNWIAIBQLDI-LBPRGKRZSA-N 275.348 3.542 30 20 CHED C=CCN(Cc1cccc(C(=O)O)c1)CC1CCCCC1 263501883 VUISYSLEUIZFKO-UHFFFAOYSA-N 287.403 3.953 30 20 CHED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@@H](C)C#N 264020922 WJCKXPAWQYGYHM-QWRGUYRKSA-N 270.298 3.858 30 20 CHED CCN(CCC#N)C(=O)CCSc1ccc(Cl)cc1 264025002 KRPDAYVNDMQEMB-UHFFFAOYSA-N 296.823 3.584 30 20 CHED COCC[C@H](C)O/N=C(\C)c1cc2ccccc2o1 267995423 KUGXYFWQYJEMLW-NRMVZKHRSA-N 261.321 3.598 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)c1ccccc1C#N 269850029 PCOYSUGBRWUXLJ-UONOGXRCSA-N 296.395 3.695 30 20 CHED C#CC[C@H](NCc1sccc1OC)c1ccccc1 270159837 FQLZWZXUGWVABI-AWEZNQCLSA-N 271.385 3.611 30 20 CHED C=C[C@H](CC(=O)N(CC)CC(F)(F)F)c1ccccc1 270356575 QCIOJLUMOUBLSP-GFCCVEGCSA-N 285.309 3.757 30 20 CHED C#CC[C@H](NC(=O)N(C)CC1CCCC1)c1ccccc1 270394537 IOLMXRGMAOVCEL-KRWDZBQOSA-N 284.403 3.583 30 20 CHED C=C(C)CCSc1nnc(-c2ccccc2)n1C 274777609 YIGWKZFDEWJJPV-UHFFFAOYSA-N 259.378 3.540 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(C#N)cc1 276107092 XEWYHPHBQMEHBA-UHFFFAOYSA-N 282.391 3.739 30 20 CHED Cc1cccn2cc(CSCCC(C)(C)C#N)nc12 276637877 RKGNWDHPIXSRMU-UHFFFAOYSA-N 273.405 3.816 30 20 CHED C=CC[C@H](CC)NC(=O)N(CCC)Cc1ccccc1O 281148881 AYTRZMBKHHHMQW-HNNXBMFYSA-N 290.407 3.669 30 20 CHED C=CC[C@@H](CC)NCc1cnc(-c2ccco2)s1 281359952 NEPGZRJLHAWZDL-LLVKDONJSA-N 262.378 3.847 30 20 CHED C#C[C@@H](NC(=O)c1c(Cl)cc(F)cc1Cl)C(C)C 282261709 WBVMZTPKBUVCAJ-LLVKDONJSA-N 288.149 3.520 30 20 CHED Cc1cc(C)c([C@@H](C)NCc2cccc(C#N)c2)c(O)c1 284167090 QFBXOZYAJRQKQW-CQSZACIVSA-N 280.371 3.732 30 20 CHED C=CCCC(=O)O[C@H](C)c1ccc(C(F)(F)F)nc1 285749974 HRYMBBLAFAWWKA-SECBINFHSA-N 273.254 3.671 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1ncc[nH]1)c1ccc(F)c(F)c1 285959117 FJMGHIIMZJDLSV-QMTHXVAHSA-N 277.318 3.656 30 20 CHED C=CCCC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 288417452 NPVYMMMJKJOOSM-GDBMZVCRSA-N 257.377 3.952 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@H]2CCCC[C@@H]2C)no1 289261033 YKEHSMUKTYARRQ-CABZTGNLSA-N 271.320 3.803 30 20 CHED Cc1c(Cl)cc(NC(=O)CCCC#N)cc1Cl 290934952 ACCYMJDSRBCGIL-UHFFFAOYSA-N 271.147 3.934 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2ccn[nH]2)c1 292671186 MESJBEOGURBYKR-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 294566188 BRVKMSYDYMJGKI-KBPBESRZSA-N 288.391 3.649 30 20 CHED C#Cc1cccc(NC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c1 296349229 NAQCDZLXGHRWNB-HZPDHXFCSA-N 282.387 3.710 30 20 CHED Cc1cc(Nc2ccc(Cl)c(C#N)n2)ccc1F 301550697 VHSZRTADTFIFRR-UHFFFAOYSA-N 261.687 3.798 30 20 CHED N#Cc1ccnc(NCCC2=CCCCCC2)c1[N+](=O)[O-] 302191570 LRIGJQYVSUSJJG-UHFFFAOYSA-N 286.335 3.554 30 20 CHED CC#CCSc1nc(C)nc2sc(C)c(C)c12 303931960 VRDLLHSZNKTKHU-UHFFFAOYSA-N 262.403 3.732 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)c(C)c1 307960597 KRMVLNDXTCUYQQ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)nc2ccccc12 311689637 FHPWOAQQIOQWHY-UHFFFAOYSA-N 274.751 3.536 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(Cl)s2)c1 313456456 ZANYQAJCJUYHMK-UHFFFAOYSA-N 276.748 3.720 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1/N=C(/O)c1cnc2cnccc2c1 328768269 FYGCOFVZTVHPTH-XUJVJEKNSA-N 283.375 3.759 30 20 CHED OC(=Nc1nc(C2CCOCC2)cs1)[C@@H]1C[C@H]1C1CC1 329211293 GYVRJANQOKHVRZ-NWDGAFQWSA-N 292.404 3.671 30 20 CHED CC1CCC(C)(/N=C(/O)c2cnc3cnccc3c2)CC1 329316924 FDBKVTVYEIAXLP-UHFFFAOYSA-N 283.375 3.903 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1CC[C@@H](C)O1 330099814 ZZKJJGBTQJBJHO-MFKMUULPSA-N 285.347 3.541 30 20 CHED Cc1cc(C(O)=Nc2onc(C3CCCCC3)c2C)on1 330112190 BRMWJDVZTGELMH-UHFFFAOYSA-N 289.335 3.963 30 20 CHED CSCc1ccccc1N/C(O)=N/[C@@H]1CCC[C@@H]1C#N 330898070 OQSBCPWRBYAGKZ-DGCLKSJQSA-N 289.404 3.568 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)cc1 335754708 HISJCBMKHZUVPT-LLVKDONJSA-N 292.329 3.862 30 20 CHED CN(C(=O)c1cnc(C(C)(C)C)s1)c1ccc(C#N)cc1 335904497 QLNOFBXJLVHWLZ-UHFFFAOYSA-N 299.399 3.589 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccs1 336455189 LSFHQULVDVMKPV-LSDHHAIUSA-N 296.395 3.660 30 20 CHED N#CCCCOc1cccc(CNCC2CCCC2)c1 338952876 GUEFYLCSDZOIOL-UHFFFAOYSA-N 272.392 3.649 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC=CC[C@H]1C 341165435 YWVUIWNRNRALES-QAPCUYQASA-N 294.398 3.675 30 20 CHED N#Cc1cccc(NC(=O)C2(Cc3ccccc3)CCC2)c1 341486115 NFOOEHAUKWTYSB-UHFFFAOYSA-N 290.366 3.910 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](C)c2ccccc21 342696784 ZCOSEBBIJULENB-HNNXBMFYSA-N 287.403 3.900 30 20 CHED N#Cc1c(F)cccc1Oc1ccc2c(c1)CCCC(=O)N2 343463329 VHWPOAIIXRQMER-UHFFFAOYSA-N 296.301 3.764 30 20 CHED CCOCCC1(CNc2nccc(C)c2C#N)CCCC1 343519594 ZZYRANLKLQQXCX-UHFFFAOYSA-N 287.407 3.661 30 20 CHED CC(C)CC1(C)CCN(C[C@@H](C#N)CCC#N)CC1 343956420 DPPXVNIAHIBRFL-OAHLLOKOSA-N 261.413 3.578 30 20 CHED C=CCN(CCCOC(C)C)Cc1ccccc1F 344137228 QBFPDKWBDCSIAI-UHFFFAOYSA-N 265.372 3.629 30 20 CHED CC(C)(CCC#N)CNC(=O)C[C@@H](CC#N)c1ccccc1 345962064 MYDGMUVMSIOPGQ-MRXNPFEDSA-N 297.402 3.520 30 20 CHED Cc1csc([C@H](NCc2ccc(CC#N)cc2)C2CC2)n1 347796837 NIKDGCPHHAFPPC-MRXNPFEDSA-N 297.427 3.759 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1nc2ccccc2n1C 348245219 OWEXBSYQUICMJI-CYBMUJFWSA-N 284.407 3.554 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cc(F)cc(F)c1 348245805 QPSKIPRELJESLD-LLVKDONJSA-N 266.335 3.945 30 20 CHED Cc1c(-c2noc(-c3ccc(C#N)[nH]3)n2)oc2ccccc12 350840921 MONBIWKOSNHKEJ-UHFFFAOYSA-N 290.282 3.658 30 20 CHED C[C@H]1CCc2nc(/C=C\c3ncccc3C#N)sc2C1 352007982 NRKQRAFEGGIDHY-ZADCQDASSA-N 281.384 3.705 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1 352173921 HXAQCTQRXQPVPL-XYJFISCASA-N 284.403 3.974 30 20 CHED CCC[C@@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1 353020507 IOMMLZUGNPXKMG-CYBMUJFWSA-N 290.382 3.729 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(F)c(C)c1 353119362 WKQIHBNHWLKOCG-UHFFFAOYSA-N 287.334 3.598 30 20 CHED N#CC[C@H](CC(=O)N1CCc2ccccc21)c1ccccc1 353354414 MLXWJFDABMAVRG-QGZVFWFLSA-N 290.366 3.663 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccccc2F)CC1 353538194 VKTYFYQUWDLJSQ-UHFFFAOYSA-N 261.340 3.531 30 20 CHED C=CCC[C@@H](NCC1(COC)CCC1)c1ccco1 353600569 YMSOUDXRZQVOOX-CQSZACIVSA-N 263.381 3.693 30 20 CHED N#CCCNC(=O)c1cc2sc3ccccc3c2s1 353998609 WPFZPWOBOXKHSR-UHFFFAOYSA-N 286.381 3.759 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H](c3nccs3)C2)CC1 355638856 WMQRVJWRAFRMII-CYBMUJFWSA-N 290.432 3.596 30 20 CHED N#CCC[C@H](NC(=O)CCCC(F)(F)F)c1ccccc1 355921767 GJHBGQOGLLJONX-ZDUSSCGKSA-N 298.308 3.880 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@@]1(C)C(C)C 356466559 XUBCIQUGROBYNC-RDJZCZTQSA-N 278.440 3.847 30 20 CHED CSc1cc(CNc2ccc(Cl)cc2C#N)ccn1 357211415 UQLUQLTWFYHKDU-UHFFFAOYSA-N 289.791 3.941 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CCC1 358768727 JKTNPJZXOUCYOX-SMDDNHRTSA-N 291.341 3.683 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(-c2cccs2)o1 359379514 AUWAYHVSMXOTAP-UHFFFAOYSA-N 286.356 3.550 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2CC[C@H](C)C2)c1 360113343 BXVYZUQNNUXEPE-AAEUAGOBSA-N 256.349 3.609 30 20 CHED COc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 361865028 IOHCYIYCSNZFJK-LBPRGKRZSA-N 284.334 3.557 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1CCCN1C1CCCCC1 366659096 AHVHZNPZHAIFDU-KRWDZBQOSA-N 291.483 3.703 30 20 CHED CCc1cccc2c1OC/C(=C\c1c(C)noc1C)C2=O 367501294 WSDPGESVDFNTME-MDWZMJQESA-N 283.327 3.513 30 20 CHED N#CCCCOc1cccc(CN2[C@H]3CCC[C@H]2CC3)c1 372399830 WEJCDXJHPBZMKJ-IRXDYDNUSA-N 284.403 3.886 30 20 CHED N#Cc1nc(N2CC=C(c3ccccc3)C2)ccc1Cl 378441630 JVRXXMXGRBWBFH-UHFFFAOYSA-N 281.746 3.510 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 381835603 JTEKRIMWWCGHIP-GFCCVEGCSA-N 262.353 3.848 30 20 CHED N#CC[C@@H]1CCCN(Cc2sccc2Br)C1 397665101 XWGXVMNDMNKIJP-JTQLQIEISA-N 299.237 3.636 30 20 CHED CC(C)(NCc1ccccc1C#N)c1ccccc1 409446074 REFVVORVCKKACF-UHFFFAOYSA-N 250.345 3.583 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1ncc(C#N)cc1Cl 410489718 AMUHZSZNNXAQLD-JTQLQIEISA-N 293.798 3.551 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(C)c(Cl)c1F 410832375 CRBPKCHCHQYCFP-JTQLQIEISA-N 282.746 3.552 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)[C@@H](C)C[C@@H](C)C2 411012584 NKKJYCPUJKWDAQ-BDAKNGLRSA-N 262.378 3.654 30 20 CHED CC(C)c1cccc2c1CCN([C@@H](C)CCC#N)C2 411624567 UMMIECWOZAKOAA-AWEZNQCLSA-N 256.393 3.860 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](C)CC(F)F 411698554 MOLTWVAAGRBNAX-ZDUSSCGKSA-N 281.346 3.535 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 412018076 ZIIBRBMTQPFIEC-NXHRZFHOSA-N 296.414 3.532 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)CCC 412838318 JXDOLBOOYBAZPH-HOCLYGCPSA-N 259.393 3.726 30 20 CHED Cc1ccc(CSCCC#N)cc1Br 413020875 XHKCAYJTPROYTH-UHFFFAOYSA-N 270.195 3.904 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 414097424 IZMSZVSRAUKDGS-JLJPHGGASA-N 293.838 3.750 30 20 CHED Cc1ccc2sc(C(=O)NCC3(C#N)CCC3)cc2c1 416347064 BTLIDRHDYUZMMM-UHFFFAOYSA-N 284.384 3.633 30 20 CHED COc1cccc2c(CNCC3(C#N)CCC3)cccc12 418145316 XIIJKCRTRYXBBE-UHFFFAOYSA-N 280.371 3.632 30 20 CHED COCCCCN(C)c1c(C#N)cnc2c(C)cc(C)cc12 419013455 HRTHLMCFSPDBJU-UHFFFAOYSA-N 297.402 3.586 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc([C@@H](C)N)cc1 423199752 CMEUKGQRRNJGAH-CQSZACIVSA-N 274.408 3.525 30 20 CHED C=CCN(C(=O)N[C@H](C)CC1CCCCC1)C1CC1 426590559 GOULOSFJXJUUPA-CYBMUJFWSA-N 264.413 3.705 30 20 CHED C=C(C)CNC(=O)Nc1ccc2c(ccn2CC(C)C)c1 429362873 NMVXWKRSHSHZBX-UHFFFAOYSA-N 285.391 3.995 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](C)c1ccc(F)cc1 429890423 PDJAQPXTBNEKPC-GFCCVEGCSA-N 263.356 3.648 30 20 CHED C=CCOc1cccc(NC(=O)c2ccoc2CC)c1 430399038 YZALKEFUEDCEBW-UHFFFAOYSA-N 271.316 3.659 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1nc(C(F)(F)F)cs1 430730705 SHOUGINITGHQEF-QMMMGPOBSA-N 289.326 3.506 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 434380284 QYZKXDPDHZABQG-UHOFOFEASA-N 290.382 3.726 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)ccc1OC 436303268 BFKQJGQHCYBFKI-DAYGRLMNSA-N 289.419 3.635 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C1CC1 437412581 PQHASNFHADQBAH-UHFFFAOYSA-N 280.318 3.532 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cc2[nH]ccc2cc1C 438369084 FJFVRVJBQMJLLI-QGZVFWFLSA-N 286.375 3.644 30 20 CHED COCc1cccc(COc2ccc(C#N)c(Cl)c2)c1 438892427 CKHWJBOPBKUKOZ-UHFFFAOYSA-N 287.746 3.937 30 20 CHED CC(C)(C)Oc1ccccc1N[C@H]1CC[C@@H](C#N)C1 442851469 DYIIXLPJOLTZPC-OLZOCXBDSA-N 258.365 3.968 30 20 CHED CCN(Cc1cccc(F)c1)Cc1cc(C#N)ccc1OC 448461991 PQMQWGXNAKNKRI-UHFFFAOYSA-N 298.361 3.728 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N(CCC#N)CC(C)(C)C 448918522 SXUQKAKKQFCAPM-NSHDSACASA-N 292.345 3.753 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 449923445 OFARNQWJGMSICT-BXKDBHETSA-N 281.758 3.663 30 20 CHED C=CCC1(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)CCCC1 450229900 DYDVNWIXKSVNDS-GOEBONIOSA-N 299.414 3.804 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCC[C@H]1CC 450482860 DIIKGXPSSDHTCA-GDBMZVCRSA-N 275.392 3.663 30 20 CHED C[C@@H](NCCCSCC#N)c1cccc(C2CC2)c1 451112853 JXGNOQWPWSKNIB-CYBMUJFWSA-N 274.433 3.861 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCC2(F)F)CCCC1 452830728 TTXWRVZVUWSFHG-GFCCVEGCSA-N 271.351 3.675 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc2ccccc2s1 453379975 ZSXSFDKAMYLOIZ-BNOWGMLFSA-N 273.401 3.895 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ccccc1Cl 454162830 QLNZHWAJHYCYEM-NSHDSACASA-N 266.772 3.666 30 20 CHED C=CCC1(NC(=O)c2c(C)coc2C)CCCCC1 456371348 STRUNHSVCUPGDK-UHFFFAOYSA-N 261.365 3.905 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CCCCC1 456372492 UPAKXHMUGUEFGY-ILXRZTDVSA-N 261.409 3.818 30 20 CHED C=CCC1(NC(=O)CC[C@H](C)SC)CCCCC1 456374425 WXCUNNWDZSAQTA-ZDUSSCGKSA-N 269.454 3.913 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1cccc(CC#N)c1 456748014 JTMIFEOAQYHCJF-UHFFFAOYSA-N 258.365 3.763 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)c1cc2ccccc2o1 456814112 SUVZXPIHZSCVNI-LBPRGKRZSA-N 257.333 3.619 30 20 CHED C[C@H](CCNC(=O)N(C)CC(C)(C)C#N)CC(C)(C)C 458686223 LTEOVVNMABCCHF-CYBMUJFWSA-N 281.444 3.640 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2cccc(Cl)c2C1 458728894 IQRUMXPPDUYUNW-ZDUSSCGKSA-N 292.810 3.762 30 20 CHED C[C@@H](c1ccc2c(c1)CCC2)N1CCC(F)(C#N)CC1 459469333 RUEYBARURROTAZ-ZDUSSCGKSA-N 272.367 3.564 30 20 CHED CCC1CCC(N(C)C(=O)[C@]2(C#N)CC23CCCC3)CC1 459963525 RTLFEIDHRIZYIF-JTTJXQCZSA-N 288.435 3.888 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(CC1CC1)C1CCC1 460785988 WLXZBRDDTDSOBP-UHFFFAOYSA-N 288.439 3.747 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 465246477 LUJKRZBBCBSXRU-ZDUSSCGKSA-N 294.354 3.614 30 20 CHED CC(C)C1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 465651267 DHVSROQPIWDBHZ-AWEZNQCLSA-N 299.418 3.697 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Cl)cc1OCC 466539237 GLZYMJHEGVIIPR-GFCCVEGCSA-N 281.783 3.823 30 20 CHED CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)C#N 467522956 ODKUQQFKXJIMSD-ZDUSSCGKSA-N 276.355 3.504 30 20 CHED N#Cc1cc(N(C#N)CCc2ccccc2Cl)ccc1F 467773009 RYVPVWMGCFYMEA-UHFFFAOYSA-N 299.736 3.881 30 20 CHED C=CCC(CC=C)C(=O)Nc1nnc(-c2ccccc2)s1 467829007 BHSVOXCUTRZBOB-UHFFFAOYSA-N 299.399 3.912 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2ccc(OC)cc2s1 467847619 ACEPOURGTGSEDW-OAHLLOKOSA-N 290.388 3.846 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2CC2(C)C)CC1 470196418 UYOJPLVBPIEDND-UIORMTCPSA-N 276.424 3.647 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(Cl)ccn2)CCCC1(C)C 470265332 DXZZVSOEYMTYKK-AWEZNQCLSA-N 292.810 3.942 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C)c(O)c2C)CC1 476312594 HUXHRSOCIBQPNM-UHFFFAOYSA-N 259.349 3.694 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@]1(C)C(C)C 476420216 CHCOVBZACYQLIK-WMZOPIPTSA-N 271.404 3.883 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)CNc1ccc(C#N)cc1 489265285 CFKGCYUSHPAANS-QGZVFWFLSA-N 299.418 3.541 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@H](C)C1)c1ccccc1 489735989 AFIYCSWFKKRFPT-RDJZCZTQSA-N 271.404 3.995 30 20 CHED C=CCCOCCNC(=O)Nc1ccc(C2CCC2)cc1 489743974 LKWVNNOQYFVTPI-UHFFFAOYSA-N 288.391 3.668 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCCN1C1CCCC1 490100471 IKFXIHOENIUHKG-MRXNPFEDSA-N 292.467 3.502 30 20 CHED C/C=C(/C=C\C(=O)Nc1ccc(F)cc1OCC#N)CC 492171340 RTKWEFCALKPJNH-MLJMVLIVSA-N 288.322 3.579 30 20 CHED C=CCOCCCC(=O)Nc1cccc(O[C@H](C)CC)c1 497634268 YFPHPRYUMSZOQN-CQSZACIVSA-N 291.391 3.785 30 20 CHED Cc1cc(N(C)C(C)C)n2c(nc3ccccc32)c1C#N 498808164 HOBKPKHPPDCHSJ-UHFFFAOYSA-N 278.359 3.512 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(O)c(C)c1 500610710 RDZXVNJOIKQJEN-UHFFFAOYSA-N 261.365 3.519 30 20 CHED C=CCC[C@H](O)CN[C@@]1(c2cccc(C)c2)C[C@@H]1CC 502592611 GNQUVODDTRHSCV-SZMVWBNQSA-N 273.420 3.537 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCCC(C)(C)C1 508683804 VRMFEFMZRAZAQF-UHFFFAOYSA-N 296.418 3.758 30 20 CHED C=C(C)CN(CC)C(=O)NC(C1CCC1)C1CCC1 511622831 AQWVVGNPQUHAGN-UHFFFAOYSA-N 264.413 3.563 30 20 CHED C=C(CNC(=O)N1C[C@H](C)C[C@H]1CC)c1ccccc1 512678009 NWZFHJXSEVIHGA-CZUORRHYSA-N 272.392 3.530 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)CCC1CCCCC1 512944495 DIVLXHSCMFPOLB-CJNGLKHVSA-N 264.413 3.791 30 20 CHED C=C(C)CCNC(=O)c1cnn(-c2ccccc2)c1C(C)C 515775981 YXEWHMXPIOTPTP-UHFFFAOYSA-N 297.402 3.692 30 20 CHED C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC12CC2 527865821 GXQWVQQIRLHUTN-DOMZBBRYSA-N 293.332 3.835 30 20 CHED COCc1ccc(NCc2cc(C(C)(C)C)on2)cc1C#N 530121437 WPIVKBCESVZWMH-UHFFFAOYSA-N 299.374 3.602 30 20 CHED CCC(CC)[C@H](C)C(=O)N(CCC#N)CCC(C)C 535583744 YJVNGKDSSFDMOK-AWEZNQCLSA-N 266.429 3.847 30 20 CHED C=CCN(C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CC1 536746248 CRWSWPGYJJADJU-HACGYAERSA-N 276.424 3.561 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1cccc(OC)c1 537187713 VAZZPLMBANUXBH-KBPBESRZSA-N 290.407 3.800 30 20 CHED C[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1 538508886 KAPWDAFARRLCQX-KBPBESRZSA-N 298.361 3.815 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CC[C@H](C)C[C@H]2CC)CC1 538760486 PGAQMMCKPMDYCX-LZLYRXPVSA-N 278.484 3.831 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC)c1ccc(Cl)s1 540393137 FCVHRGBSNIKWGN-MNOVXSKESA-N 273.829 3.627 30 20 CHED C=C(CC)CN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 541687027 OJHFPRWIRZANFA-GFCCVEGCSA-N 289.354 3.801 30 20 CHED COc1cc(C#N)ccc1CN1C[C@H](C)[C@H]2CCCC[C@H]21 542968345 ZRXOZPFECKPEBO-IAOVAPTHSA-N 284.403 3.577 30 20 CHED C[C@@H](NCCF)c1ccc(-c2cccc(C#N)c2)cc1 543873458 XGHLHCWPGQZYDH-CYBMUJFWSA-N 268.335 3.845 30 20 CHED Cc1cccc([C@@H]2CCCCCN2C(=O)NCCCC#N)c1 544328587 OLTUXVOWKNSGJE-KRWDZBQOSA-N 299.418 3.926 30 20 CHED C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 544444583 OTWFBGDZSYPFPT-LLVKDONJSA-N 284.746 3.703 30 20 CHED COc1cc(C#N)ccc1NCCCCC(F)(F)F 547414843 QMTCDWFSPCUXPP-UHFFFAOYSA-N 272.270 3.711 30 20 CHED Cc1ccc2c(c1)CN(c1cc(Cl)ccc1C#N)CCO2 553679600 MUGCUKPFHFUVDE-UHFFFAOYSA-N 298.773 3.919 30 20 CHED C=CCC1(C(=O)Nc2cc(CC#N)ccn2)CCCCC1 556184949 FVGMAMFVFAWERP-UHFFFAOYSA-N 283.375 3.613 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(F)c(C#N)c2)C1 556358142 ZJHDHRWKCRRLTM-DOMZBBRYSA-N 288.366 3.642 30 20 CHED N#CCC1CCN(Cc2ccc(C3CC3)cc2)CC1 564421476 IBSCDRLHLPAONS-UHFFFAOYSA-N 254.377 3.690 30 20 CHED CC(C)(C#N)CCCC[S@](=O)c1cccc(F)c1C#N 566488884 QMDUSMUIOANVRS-FQEVSTJZSA-N 292.379 3.525 30 20 CHED N#CCC1(CNC(=O)C2=C(c3ccccc3)CCCC2)CC1 566955867 VRCIMOMZYCKDCB-UHFFFAOYSA-N 294.398 3.824 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)NCc1ccc(C#N)cn1 575326290 MPFMCZCHINPMIV-CQSZACIVSA-N 295.386 3.591 30 20 CHED CSc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 581140684 QLCFCJGDYUZKAG-LBPRGKRZSA-N 283.400 3.526 30 20 CHED C=CCOc1ccc(CN2CCC[C@@H]2CF)cc1Cl 581831777 FICRFPAJGXUGAN-CYBMUJFWSA-N 283.774 3.839 30 20 CHED CC(C)Oc1ccc(CNC(=O)CCCCCC#N)cc1 588149480 NWPCCZGZMYUTCL-UHFFFAOYSA-N 288.391 3.564 30 20 CHED CCCCOc1ccc(NC(=O)CCCCCC#N)cn1 588164350 FTIACYSXCZEFBP-UHFFFAOYSA-N 289.379 3.673 30 20 CHED Cc1nn(-c2ccccc2)cc1C/N=C\c1ccccc1O 588417679 YCXKXUSAQLONCS-ODLFYWEKSA-N 291.354 3.505 30 20 CHED C/C(=C/C(=O)OC(C)(C)C#N)c1cccc(Cl)c1 588428757 RLEPQLLKTQGNHQ-YFHOEESVSA-N 263.724 3.589 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1F)c1ccncc1 588542595 GUVBFILELNUBLX-RQOWECAXSA-N 261.683 3.770 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C(=O)CCCCCC#N 588546560 IYYIESLAVBJPNC-QGZVFWFLSA-N 286.419 3.940 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccccc2C#N)cc1 588618131 FTLKRMZVUOPWIQ-XFXZXTDPSA-N 276.339 3.520 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)C2CCCC2)cc1 589078421 JNGCZVZSEUORKV-GUYCJALGSA-N 284.403 3.756 30 20 CHED Cc1nc(N2CC[C@@H](c3ccco3)C2)c(Cl)cc1C#N 589686888 XANFBQPSWUDJIN-LLVKDONJSA-N 287.750 3.502 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc(C2CC2)cc1 590960723 PKJPJIAXCLPWBC-UHFFFAOYSA-N 271.364 3.625 30 20 CHED CSCCN(C)c1c(C#N)cnc2c(Cl)cccc12 591925014 GTZSCPOWINYSFB-UHFFFAOYSA-N 291.807 3.559 30 20 CHED COc1ccc(C#N)cc1CNC1(c2ccccc2C)CC1 592139996 RZOKBWSBWCGWKG-UHFFFAOYSA-N 292.382 3.654 30 20 CHED N#CCCCCNC(=O)Nc1ccc2c(c1)CCCCC2 593271513 GSFMVVQRFGLIIR-UHFFFAOYSA-N 285.391 3.771 30 20 CHED COC[C@@H](CC(C)(C)C)N[C@@H](C)c1cccc(C#N)c1 593603753 YASYEYWLMFISOC-XJKSGUPXSA-N 274.408 3.660 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]2CCC[C@H]21 593985652 JHDLBZSYYLYWHZ-ZTFGCOKTSA-N 296.414 3.528 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cccc2c1ccn2CC(C)C 594088481 QNIMILDKMZYXLH-CQSZACIVSA-N 297.402 3.671 30 20 CHED N#CCC1(CNc2ccccc2OCC(F)(F)F)CC1 594701563 PJZAFQWCFSGHDA-UHFFFAOYSA-N 284.281 3.733 30 20 CHED C=C1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)CC1 594846480 SVWXRYYQSCSQPG-AWEZNQCLSA-N 257.377 3.531 30 20 CHED N#CCc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 595785335 DPGRSWNQPTZAEL-OALUTQOASA-N 298.430 3.534 30 20 CHED CCN(CCOc1cc(Cl)ccc1Cl)[C@@H](C)C#N 595815703 QYOBRJBESWBOFU-JTQLQIEISA-N 287.190 3.606 30 20 CHED CC(C)C[C@@H](C)Cn1cc(C#N)c2ccccc2c1=O 596315545 XIZNDUVNRAFGLG-CYBMUJFWSA-N 268.360 3.555 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1cc2cc(Cl)ccc2s1 597188035 JWLFOYQNAYSULR-LLVKDONJSA-N 292.791 3.833 30 20 CHED N#CC1(CC(=O)N[C@@H](C2CCC2)C2CC2)CCCCC1 597760575 STZONTJTMVVECB-INIZCTEOSA-N 274.408 3.545 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C[C@H](C)CCC#N 602450394 VHRXNOZIODCTOJ-OAHLLOKOSA-N 272.392 3.623 30 20 CHED C[C@H](CCC#N)CN(Cc1ccc(O)cc1)Cc1ccco1 602460416 RUFYSTXKVHAMKH-OAHLLOKOSA-N 298.386 3.927 30 20 CHED C[C@H](CCC#N)CN[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 602536639 VSRLOBGPTOJDSP-XYPHTWIQSA-N 290.382 3.575 30 20 CHED N#Cc1cc(NC(=O)N2CCC[C@@H]2C2CCCCC2)ccn1 603140684 YUCUKHLKYYWRCB-MRXNPFEDSA-N 298.390 3.530 30 20 CHED CCOc1cc(C)ccc1N[C@H](C#N)Cc1ccccc1 603954817 IKIKRZJJFGRGRW-INIZCTEOSA-N 280.371 3.941 30 20 CHED COc1cc2ccccc2cc1C(=O)N[C@@](C)(C#N)C(C)C 604455691 SFQKPIBQJCMNFB-SFHVURJKSA-N 296.370 3.516 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@H](C)CC(C)C 609012498 ZZHVZFPDQCXONM-CYBMUJFWSA-N 288.391 3.968 30 20 CHED CC(C)(C#N)CNCc1cnc(-c2cccs2)s1 612584825 BQIOEOQANNACAR-UHFFFAOYSA-N 277.418 3.511 30 20 CHED C=CCC[C@H](C(=O)NCCc1ccoc1)c1ccccc1 618476930 XTZWINHJVTWNIT-KRWDZBQOSA-N 283.371 3.688 30 20 CHED Cc1ccccc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618667531 FDRJHXSYXSADJL-QGZVFWFLSA-N 291.354 3.676 30 20 CHED Cc1cccc(N[C@H]2CCc3cc(C#N)ccc32)c1[N+](=O)[O-] 618693957 VEGYNZVUJHEZCS-HNNXBMFYSA-N 293.326 3.874 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1C 618734205 RUXHDUJWQWECIX-GOSISDBHSA-N 290.366 3.592 30 20 CHED C[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccsc1 619759008 GCRINXRTELDNJS-RYUDHWBXSA-N 299.399 3.741 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 620861421 PMDQRQANDYIRRT-LLVKDONJSA-N 297.345 3.593 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](CC)CCC)cc1 620888693 LNFUARWPQQLZED-AWEZNQCLSA-N 261.365 3.560 30 20 CHED C=CCOc1c(Cl)cc(CN(C)C(C)C)cc1OC 628119435 SEMKRNDRXPIQGA-UHFFFAOYSA-N 283.799 3.754 30 20 CHED C=CCCN1CCC(Cc2nc(CC)cs2)CC1 653802408 DSDPCHWTJZYWEP-UHFFFAOYSA-N 264.438 3.536 30 20 CHED C=CCCn1cc(-c2nc3ccc(C(C)C)cc3[nH]2)nn1 656485879 SAQDFGRKWXCHNZ-UHFFFAOYSA-N 281.363 3.521 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3)C1 659019405 VNKHHMPLCZHDPO-CQSZACIVSA-N 299.418 3.865 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1nc(C2CC2)cs1 664469328 IYYHMWOZAIUSPT-UHFFFAOYSA-N 279.409 3.887 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(Cl)ccc1OCC 675933716 NSRZQTGEAWOOQM-GHMZBOCLSA-N 253.773 3.964 30 20 CHED O=c1c2ccsc2ccn1CC#Cc1cccc(Cl)c1 679463783 ISMUHBLPXRHISK-UHFFFAOYSA-N 299.782 3.768 30 20 CHED C=CC[C@@H](CC)NCc1ncccc1C(F)(F)F 684967564 YNTAVDROQYMHOC-SNVBAGLBSA-N 258.287 3.545 30 20 CHED CS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C1 687961785 OKGQZZOXFNDBJX-UONOGXRCSA-N 294.851 3.928 30 20 CHED C[C@H](NN=C1CCCOc2ccccc21)c1ccccc1 728430111 ZDPPGSBBKTYGPN-AWEZNQCLSA-N 280.371 3.914 30 20 CHED C#CCN(CC)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730484746 BXPVZFFUNDAURJ-OLZOCXBDSA-N 296.197 3.579 30 20 CHED CN(C)c1ccc(CN(c2ccc(C#N)cc2)C2CC2)cc1 733188452 QYMHNCBHOJEYKK-UHFFFAOYSA-N 291.398 3.793 30 20 CHED Cc1cc(C)cc(NC(=O)Nc2cccc(OCC#N)c2)c1 733622933 SNQZCMALTIMGDA-UHFFFAOYSA-N 295.342 3.850 30 20 CHED C=CC[C@@H](NC(=O)c1cc(C)ccc1C)c1ccncc1 734457774 OOMZTIQWHUCKIQ-QGZVFWFLSA-N 280.371 3.746 30 20 CHED CCCCCCCNCc1c(CC)nn(C)c1Cl 734842635 TZNFONXUSRUKBM-UHFFFAOYSA-N 271.836 3.696 30 20 CHED Cc1cccc(CC(=NNc2oc(C)nc2C#N)C2CC2)c1 736430005 LMEFTZXGOPRUGD-UHFFFAOYSA-N 294.358 3.584 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2cccnc2)cc1F 739425999 HTSXOTUMWAXQHS-NTMALXAHSA-N 298.361 3.963 30 20 CHED Cc1ncsc1/C=C/C(=O)c1ccc(-n2cccn2)cc1 742431559 KAVFNKSFZOBPFJ-BQYQJAHWSA-N 295.367 3.533 30 20 CHED C=CCOc1ccc(OC(=O)C2CCCCC2)cc1 742863514 VLPQHUPDDZQIHS-UHFFFAOYSA-N 260.333 3.737 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 743084304 MAJJMTXBOKFISQ-IRXDYDNUSA-N 282.387 3.758 30 20 CHED Cc1ccc2c(C=NNc3ccc(Cl)nc3)c[nH]c2c1 743450207 NAGHNKYYMAIQRH-UHFFFAOYSA-N 284.750 3.971 30 20 CHED N#Cc1c(Cl)nsc1NCc1ccc(F)cc1F 746079127 KKMNRNGKJZNWFG-UHFFFAOYSA-N 285.706 3.558 30 20 CHED CC(C)[C@H]1CCCC1=NNc1cnc2ccccc2n1 747751935 UAPOSDCHZNOPKU-GFCCVEGCSA-N 268.364 3.854 30 20 CHED FC(F)(F)CON=Cc1cccc(-c2ccccn2)c1 747762542 DYZLWCUFLPUMNR-UHFFFAOYSA-N 280.249 3.661 30 20 CHED C=CCCCOC(=O)CCCc1sccc1C 748429055 IABYCGURCKYQQM-UHFFFAOYSA-N 252.379 3.889 30 20 CHED C=CCCCC(=O)Oc1ccc(OCC2CC2)cc1 748530001 NAJWMRVZWXDRNT-UHFFFAOYSA-N 260.333 3.737 30 20 CHED CC1(C)CC(=NNc2ccccn2)c2ccc(F)cc2O1 748782317 NIHXABXTPVRDIN-UHFFFAOYSA-N 285.322 3.598 30 20 CHED C=C(Cl)COC(=O)c1ccnc(Oc2ccccc2)c1 749293183 OSZTURNWEKIBHU-UHFFFAOYSA-N 289.718 3.783 30 20 CHED CS/C=C/C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 751581123 XURVQGBADHWAPH-ATWMFIQVSA-N 288.416 3.542 30 20 CHED CC[C@@H](C)C=Nn1c(S)nnc1-c1cccc(Cl)c1 755564312 LXLODFNFLNBLDW-SECBINFHSA-N 294.811 3.767 30 20 CHED COc1cccc(CC(=NO[C@@H]2CCCCO2)C2CC2)c1 755813334 DXXMQUGEHPJBCS-QGZVFWFLSA-N 289.375 3.547 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccc(-c2ccccc2)o1 755892643 ADXHCBDWVFBNRM-UHFFFAOYSA-N 292.342 3.881 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2 756712451 QHJWVCCKQAIXSJ-STQMWFEESA-N 259.393 3.886 30 20 CHED C#CC[C@H](/N=C\c1cc(OCC)ccc1O)c1ccccc1 756845712 GJGBJPAJCAWJJU-HJHGFDQJSA-N 293.366 3.974 30 20 CHED CC(=NOCC(F)F)c1ccc(F)cc1Br 758907593 YQOFGGFZBCZXRO-UHFFFAOYSA-N 296.086 3.594 30 20 CHED Fc1cccc(Cl)c1CCC=NOCC(F)F 758912683 WVVGEDGZSHIVGT-UHFFFAOYSA-N 265.662 3.679 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(CC#N)cc2)cc1Cl 759104199 TUOFPBMIISWVBA-UHFFFAOYSA-N 298.773 3.991 30 20 CHED N#Cc1ccc(NN=Cc2ccc(F)c(C#N)c2Cl)cc1 761783254 VVRIXUIFXZWULK-UHFFFAOYSA-N 298.708 3.668 30 20 CHED CCc1ccc(N(CC)C[C@@H](O)c2ccc(C#N)cc2)cc1 763514819 QQMCSCIVIKIMBB-LJQANCHMSA-N 294.398 3.681 30 20 CHED C#CCN(C(=O)CCCc1ccc2ccccc2c1)C1CC1 763796388 BGIMNXWNAOOYML-UHFFFAOYSA-N 291.394 3.787 30 20 CHED C#CCCCOC(=O)C1c2ccccc2Oc2ccccc21 766865587 JVWZTCZTUFYFDU-UHFFFAOYSA-N 292.334 3.881 30 20 CHED C#CCCCOC(=O)CCOc1ccccc1C(C)C 766906550 RDFRJCNGDRPQIZ-UHFFFAOYSA-N 274.360 3.536 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H]1C[C@H]2CC[C@H]1C2 768542728 AFOOZKKZULIFBZ-IHRRRGAJSA-N 263.381 3.686 30 20 CHED N#CCc1ccc(COC(=O)[C@@H](F)c2ccccc2)cc1 769171069 ZWHIRVMTUUOKPM-INIZCTEOSA-N 283.302 3.507 30 20 CHED C/C(=C\C(=O)Oc1ccc(C#N)cc1F)c1ccc(F)cc1 769739230 DHSUQKVBVBQCGL-DHZHZOJOSA-N 299.276 3.845 30 20 CHED C=CCC[C@H](CCC)NCc1cccc2c1OCCO2 772987049 YWLULGXIIGHMMY-HNNXBMFYSA-N 275.392 3.682 30 20 CHED N#CC1(COC(=O)C2CCC(C(F)(F)F)CC2)CCC1 774198908 CJDCJQMXWIKMGJ-UHFFFAOYSA-N 289.297 3.592 30 20 CHED CC(=NNc1cccnn1)C1(c2ccccc2)CCCC1 774386797 HAYRAIROXNRNMZ-UHFFFAOYSA-N 280.375 3.776 30 20 CHED C(=NOC1CCCC1)c1c(C2CC2)nc2sccn12 774608604 QMBZWRUHYWGLBZ-UHFFFAOYSA-N 275.377 3.566 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(Oc2ccccc2)o1 775183028 GJJYVRWIQKQRPF-ZDUSSCGKSA-N 255.317 3.525 30 20 CHED C=CCN(C(=O)Nc1cc(F)c(OC)cc1C)C(C)C 775898567 ZERKZGWNYAANNV-UHFFFAOYSA-N 280.343 3.571 30 20 CHED O=C(/C=C/c1nc2c(s1)CCCC2)c1ccco1 776264714 HTOWRJHEGQRLKR-BQYQJAHWSA-N 259.330 3.511 30 20 CHED Cc1cc(C(=O)OCCC(C)(C)C#N)ccc1Cl 776396671 IYRCYHFPMDDSGX-UHFFFAOYSA-N 265.740 3.745 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc(F)n1)c1ccccc1 777791527 MSVJEBKOJBQWBT-CYBMUJFWSA-N 270.307 3.519 30 20 CHED CCOc1ccc(C#N)cc1NCCc1cccs1 778610487 RPTHXCXXLONUBQ-UHFFFAOYSA-N 272.373 3.673 30 20 CHED C#CCCCNC(=O)NCC1(Cc2ccccc2)CCCC1 778682656 HIMNAQLTLGILPO-UHFFFAOYSA-N 298.430 3.502 30 20 CHED C#CC[C@H](N[C@H](C)C1CCSCC1)c1ccccc1 779037678 DVLPYMMADNGVSB-PBHICJAKSA-N 273.445 3.872 30 20 CHED CC(=NN[C@@H]1CCCOC1)c1cc(Cl)sc1Cl 780256776 CFCCXFVZGGPNDJ-MRVPVSSYSA-N 293.219 3.548 30 20 CHED COc1ccc(NN=C2CCC(C)(C)C[C@H]2C)nc1 780267675 NSHZBVWHWGIZEH-LLVKDONJSA-N 261.369 3.704 30 20 CHED CC(=NNc1ncncc1Cl)c1cccc(C)c1C 780281089 YNBSEPPHUIWIEO-UHFFFAOYSA-N 274.755 3.583 30 20 CHED COc1ccc2c(c1)CCCN2Cc1cc(C#N)cs1 780767790 YCCSMTNRPRRNHH-UHFFFAOYSA-N 284.384 3.581 30 20 CHED C(=NNc1cnnc2ccccc12)c1ccc2cnccc2c1 782230553 FQJVNDRIKYUIBC-UHFFFAOYSA-N 299.337 3.624 30 20 CHED CCOc1c(Cl)cccc1C=NNc1ncccc1C 782286552 XZYGDKULDBJTHI-UHFFFAOYSA-N 289.766 3.888 30 20 CHED C=Cc1ccc(C(=O)OCc2ccccc2C#N)cc1 785625173 KCBOLSFBFDVOOL-UHFFFAOYSA-N 263.296 3.558 30 20 CHED CCON=C(C)c1ccc(OC(C)C)c(Cl)c1 788976077 UNSBUXMSQOICLI-UHFFFAOYSA-N 255.745 3.888 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)n(C)n1 789159875 QYFFJUVSCUNEBN-GQCTYLIASA-N 295.169 3.931 30 20 CHED C/C=C(\CC)C(=O)OCc1ccc(Cl)cc1C#N 789229716 HENZYJVKDVHFGM-XCVCLJGOSA-N 263.724 3.611 30 20 CHED FCCCCCON=Cc1ccc(Br)cc1 789576433 OEYHEHWMGSCFNL-UHFFFAOYSA-N 288.160 3.939 30 20 CHED CCc1ccc(OC(=O)CCc2ccc(C#N)cc2)cc1 789982281 KDKXKKOXHGHHPD-UHFFFAOYSA-N 279.339 3.659 30 20 CHED Cc1csc(C=NN2CCC(C(C)(C)C)CC2)n1 790178667 HNDXAJOJXFINBF-UHFFFAOYSA-N 265.426 3.544 30 20 CHED CCn1cc(C(=O)/C=C\c2ccsc2Cl)cn1 790215594 LVCDCEIJWULLFH-ARJAWSKDSA-N 266.753 3.514 30 20 CHED Cc1ccc(C)c(C=NNc2cccc(F)c2[N+](=O)[O-])c1 790311166 XYTQUFSNRLWSBO-UHFFFAOYSA-N 287.294 3.797 30 20 CHED COC(=O)C(C)(C)CC/N=C/c1c(O)ccc2ccccc12 794680560 PGYNZEFSAQOKOS-XDHOZWIPSA-N 299.370 3.554 30 20 CHED COC(=O)c1csc(C(=O)/C=C/c2ccccc2C)c1 794724336 FQUMPEFLCKSBAK-BQYQJAHWSA-N 286.352 3.739 30 20 CHED C=CCN(CCC#N)[C@H]1CCc2cc(Cl)ccc21 794744438 IYAVVNNLYNYGJY-HNNXBMFYSA-N 260.768 3.729 30 20 CHED Oc1ccccc1/C=N/CCCc1ccccc1F 794847944 KSHJLKKSHVLTER-LDADJPATSA-N 257.308 3.583 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccnn2C(C)C)c(C)c1 794932649 AZLAYILEZKDVFY-VURMDHGXSA-N 268.360 3.977 30 20 CHED CC(=NNc1cncnc1)c1ccc(-c2ccccc2)o1 794976269 HTOFXXKMZTYDKS-UHFFFAOYSA-N 278.315 3.573 30 20 CHED Fc1cccc(NN=Cc2ccc(SC(F)F)cc2)n1 795006062 JPRWVGDJBZSQOL-UHFFFAOYSA-N 297.305 3.981 30 20 CHED C=CCOc1ccc(CNCc2cc(C)ccc2O)cc1 796442339 NNQRPBGXABBYBV-UHFFFAOYSA-N 283.371 3.555 30 20 CHED C[C@H](Oc1ccc2ccccc2c1)C(=O)OCC(C)(C)C#N 796829748 YYEJQEYFIWFKKB-ZDUSSCGKSA-N 297.354 3.700 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cc(F)ccc1O 798370203 GALRYCOGXADREQ-GQCTYLIASA-N 288.322 3.513 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NNCC(F)(F)F)C1 799113606 RWYIMGQSYWUNSC-LLVKDONJSA-N 285.313 3.556 30 20 CHED C=CCCCOC(=O)c1ncccc1Oc1ccccc1 799560325 YWIGRKJVVQHTGO-UHFFFAOYSA-N 283.327 3.997 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cc(C)c(C)o2)cc1 799895541 CPOFERDMWFYOJF-TWGQIWQCSA-N 284.311 3.579 30 20 CHED CC#CC(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 801142503 GRMZRHVOSFWHAX-LLVKDONJSA-N 283.293 3.638 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCc3cc(F)ccc32)cc1 802657538 HYGUEPCTBMRRAP-ZDUSSCGKSA-N 296.345 3.679 30 20 CHED C=CCCCCCCNC(=O)CC1CCSCC1 805219146 YQBXJWGXQOPMKE-UHFFFAOYSA-N 269.454 3.772 30 20 CHED C=CCCCCCCNC(=O)N1CCSC[C@H](C)C1 806005408 OMCLSOLNUMEBIZ-CQSZACIVSA-N 284.469 3.517 30 20 CHED C#CCCc1noc([C@H](F)CC2CCCCC2)n1 809396626 BKXVYFPLWHFTKG-GFCCVEGCSA-N 250.317 3.616 30 20 CHED CCCCC[C@@H](NC(=O)c1cccc(C#N)n1)C(C)(C)C 810409024 AHKKKLKDSFYQCR-OAHLLOKOSA-N 287.407 3.678 30 20 CHED C=CCCOCC(=O)N(c1ccc(CC)cc1)C(C)C 813259643 QGRUIXBOTQVEDG-UHFFFAOYSA-N 275.392 3.583 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](C)c1nc2ccccc2o1 814118967 VMHQDPOUHSOANA-GFCCVEGCSA-N 286.375 3.650 30 20 CHED CC[C@@H](C=NNc1nc(C)cc(C)n1)c1ccccc1 814681395 JYQDKWMIGXNXIA-AWEZNQCLSA-N 268.364 3.685 30 20 CHED CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNc1ccccn1 814730934 UYRVGWIWBSRLLQ-RDJZCZTQSA-N 295.386 3.832 30 20 CHED Fc1ccccc1NN=C1COc2c(Cl)cccc21 814790378 SKBMLRZUDRZURX-UHFFFAOYSA-N 276.698 3.688 30 20 CHED CCC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccco1 814821817 LZPPYLZTJKRIQO-UHFFFAOYSA-N 286.335 3.663 30 20 CHED CC(C)c1nccnc1NN=C1CS[C@@H](C(C)C)C1 814917285 SDXZOPSQYCIPHE-GFCCVEGCSA-N 278.425 3.529 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1ncc(Cl)s1 814918060 ZOOPFPLCKQQZDS-SECBINFHSA-N 271.817 3.689 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NOC/C=C\Cl)C1 814933795 ACWQXZNRDAWDSB-NQOLFHKGSA-N 287.787 3.645 30 20 CHED CC[C@H](C)CON=C1CC[C@H](C(=O)O)C(C)(C)[C@@H]1C 814939057 CLHMVZLKZOYEIC-QJPTWQEYSA-N 269.385 3.562 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H]1COc2cc(Cl)ccc21 816052112 PNRHEEFHRBJEHB-LLVKDONJSA-N 288.677 3.528 30 20 CHED CC(=NNCCCc1ccccc1)c1ccncc1Cl 817325619 DCUUDLULSJGZSK-UHFFFAOYSA-N 287.794 3.681 30 20 CHED CC(Cc1ccc(F)cc1Cl)=NO[C@H]1CCCCO1 817325740 GRUOGKYQXMHVSV-AWEZNQCLSA-N 285.746 3.941 30 20 CHED C[C@@H]1CSCC1=NNc1cc(Cl)nc(Cl)c1 819828567 ILFRTVZJNAGQCN-ZCFIWIBFSA-N 276.192 3.539 30 20 CHED C=CCC1(NCc2cccc(OC)c2O)CCCCC1 825023978 JTKWXFOKBWISBH-UHFFFAOYSA-N 275.392 3.769 30 20 CHED C#Cc1cccc(CNCc2cc(C)sc2C)c1 825225852 AVPWFHGILJWGFG-UHFFFAOYSA-N 255.386 3.636 30 20 CHED C=CCC1(C(=O)NCc2ccccc2O)CCCCC1 825658778 OEYKRWVRIIIWDS-UHFFFAOYSA-N 273.376 3.535 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)OC1CCCC1 830750132 FZGHAEQPAVOOJD-SJORKVTESA-N 298.386 3.837 30 20 CHED C[C@@H]1CC(=NNc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)O1 834952212 MUTZRCLSYFYXDU-RKDXNWHRSA-N 297.280 3.542 30 20 CHED C[C@@H]1CC[C@@H](C)C(=NNc2nc(O)c3ccccc3n2)C1 834961984 SYFMQGSOKUHXOH-GHMZBOCLSA-N 284.363 3.559 30 20 CHED C[C@H](NN=Cc1c(Cl)cccc1Cl)C(F)(F)F 834995319 AVOQRNNJVIPCHY-LURJTMIESA-N 285.096 3.868 30 20 CHED CSC[C@H](C)COC(=O)C[C@@H](CC#N)c1ccccc1 835682546 MLRKXTBNVZDQSW-UKRRQHHQSA-N 291.416 3.616 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C#CC1CC1 837376254 BKXSRBRLBMSLCE-ZWKOTPCHSA-N 281.399 3.585 30 20 CHED C#CCCCCCC(=O)N1CC(CC)(c2ccccc2)C1 838188664 KYOZANUIUUAMFC-UHFFFAOYSA-N 283.415 3.760 30 20 CHED C#CCC[C@H](C)OC(=O)c1ncsc1-c1ccccc1 839038036 HGCQXMPJNDOTLM-LBPRGKRZSA-N 285.368 3.769 30 20 CHED C=C(Cl)COC(=O)/C=C\c1ccc(Cl)s1 839242616 ZUMVTTMKUFFWFF-HYXAFXHYSA-N 263.145 3.710 30 20 CHED CC(C)[C@H](F)C(=O)Nc1scc(C(C)(C)C)c1C#N 839368465 CZIZHZVVTDYWIZ-NSHDSACASA-N 282.384 3.850 30 20 CHED C=C(Cl)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 839602291 ZPGPJROPNRHFMU-LBPRGKRZSA-N 294.609 3.759 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1CCC2(CCC2)CC1 840305725 OFUGZOIHWYIMJG-UHFFFAOYSA-N 295.308 3.743 30 20 CHED CCOc1ccc(/C=N\C[C@@H](C)CC(F)(F)F)c(O)c1 840711824 CMPPAHPUZMCVIY-OAOMGELKSA-N 289.297 3.798 30 20 CHED Cc1c([C@H](C)NCC(C)(C)CC#N)cnn1-c1ccccc1 840784518 BPTPNRJAJSOAQH-AWEZNQCLSA-N 296.418 3.771 30 20 CHED FC(F)(F)c1csc(NN=C2CCC[C@@H]3C[C@H]23)n1 841628910 DYEYLMLHKBRCRG-RQJHMYQMSA-N 275.299 3.750 30 20 CHED CC1=C(C)C[C@H](C(=O)O[C@H]2CCC[C@@H](C#N)C2)CC1 842817607 BMJNIDHIRJWGLD-KFWWJZLASA-N 261.365 3.748 30 20 CHED CC(C)Cn1nccc1/C=C1\Cc2c(F)cccc2C1=O 843268666 JUUDUTWRKPNJCW-XYOKQWHBSA-N 284.334 3.501 30 20 CHED C=C(C)CONC(=O)N[C@H](CC)c1cccc(Cl)c1 844284492 GYMFAMZFYQOAMV-CYBMUJFWSA-N 282.771 3.598 30 20 CHED C=C[C@@H](C)ON=C(C)c1sc(C(C)C)nc1C 844621506 IENHEOWSXXGZPJ-SECBINFHSA-N 252.383 3.890 30 20 CHED C=C[C@@H](C)ON=C(C)c1sc(-c2cccnc2)nc1C 844626116 YBLHHXUMJRLPQF-SNVBAGLBSA-N 287.388 3.829 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1csc2ccccc12 845447549 DOAAHTYJBBWJHG-GHMZBOCLSA-N 272.373 3.628 30 20 CHED C=C[C@H](C)ONC(=O)N(CCC)[C@H]1CCc2ccccc21 845633944 PYIYAGYKOZQTLO-BBRMVZONSA-N 288.391 3.602 30 20 CHED C=CCCC[C@H](C)NC(=O)c1snc(Cl)c1Cl 845917545 AZXMBOWABJSMRR-ZETCQYMHSA-N 293.219 3.925 30 20 CHED Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc(Cl)s1 849241726 LVGJEMHRUOQODP-SNAWJCMRSA-N 292.791 3.909 30 20 CHED COc1cc(Cl)c(NCC2(CC#N)CC2)cc1C 849316895 ODSWBNMEKVOGNB-UHFFFAOYSA-N 264.756 3.763 30 20 CHED C=CCCN[C@@H](c1nc(Br)cs1)C1CC1 850502980 YHNOAOXMMYDXTI-SNVBAGLBSA-N 287.226 3.522 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851205340 FGURONQPRKRKLT-JMSVASOKSA-N 251.370 3.540 30 20 CHED COc1cc(C=NN2CCCC[C@H]2C)ccc1SC 853380687 RPHQHEVXPAHFOO-GFCCVEGCSA-N 278.421 3.625 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@@H](C2CCCCC2)C1 855636642 OOPQIWOEBZOOIS-CYBMUJFWSA-N 271.351 3.627 30 20 CHED Clc1cnc(NN=C2CC[C@H]3CCCC[C@H]3C2)nc1 857221660 KPVGBXZRBXSDDC-MNOVXSKESA-N 278.787 3.888 30 20 CHED CCCCCCCNC(=O)N(C)Cc1ccsc1 858108566 IJCGCSPGKGDSPU-UHFFFAOYSA-N 268.426 3.860 30 20 CHED Cc1cnccc1COC(=O)C[C@H](CC#N)c1ccccc1 859674355 XXXFBHGVTPRFNF-INIZCTEOSA-N 294.354 3.521 30 20 CHED C#C[C@H](OC(=O)c1oc(CCC)nc1C)c1ccc(C)cc1 860963534 XFXYNWWUAJNCKW-HNNXBMFYSA-N 297.354 3.775 30 20 CHED Cc1ccc(C=NNCCCOCc2ccccc2)s1 863178407 PKJAGEOTWWWPLR-UHFFFAOYSA-N 288.416 3.587 30 20 CHED CC(C)(CCC#N)CNCc1c(Cl)cncc1Cl 865569032 IIJIFCNFRKEGJT-UHFFFAOYSA-N 286.206 3.808 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(Cl)cc(Cl)c1F 869699003 MUVUHRZEZNXLOL-ZETCQYMHSA-N 276.094 3.591 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2c2ccc(F)c(F)c2)n1 876736375 KJHRNMWUEGPSNO-KRWDZBQOSA-N 299.324 3.569 30 20 CHED CC(C)Oc1cccc(CNC[C@H](C)CCC#N)c1 876943442 GJAWOFUQECUZSM-CQSZACIVSA-N 260.381 3.503 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 879108694 PQJKGXJUERIJOU-ZBFHGGJFSA-N 271.404 3.993 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(Cl)cc(Cl)c1F 880892901 UPBXHHDPIYCWBH-SSDOTTSWSA-N 289.137 3.618 30 20 CHED C=C[C@](C)(O)c1cn([C@H](C)c2ccc(C(C)(C)C)cc2)nn1 881281176 UBVVTDYVQVJTKQ-ACJLOTCBSA-N 299.418 3.578 30 20 CHED N#CCCN(Cc1ccc2c(c1)CCCO2)Cc1ccco1 891464659 IEIGBNKGOIGTDB-UHFFFAOYSA-N 296.370 3.520 30 20 CHED Cc1c(Br)cncc1NC[C@@H](C)CCC#N 897833768 XQKXBSQCJGXYIL-VIFPVBQESA-N 282.185 3.504 30 20 CHED Cc1c(C(=O)/C=C\c2cnn(C3CCC3)c2)cnn1C(C)C 899369333 VHLYXDZBCMXOAE-FPLPWBNLSA-N 298.390 3.590 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@@H](CCC(C)C)C1)C(=O)O 901690490 OKYKBCGLDBTTNF-KFWWJZLASA-N 267.413 3.600 30 20 CHED C#CC[C@@H](NCc1cc(C)ccc1NC)c1ccccc1 902415304 DBUVABLHIOMDCD-LJQANCHMSA-N 278.399 3.891 30 20 CHED CC[C@H](N[C@@H]1CCO[C@@H](C(C)C)C1)c1cccc(C#N)c1 902849352 LVBCJJMDDSKJEY-FGTMMUONSA-N 286.419 3.803 30 20 CHED CC[C@H](NC[C@@H]1CCCSC1)c1cccc(C#N)c1 902990194 SUPFTNRFCWXMRD-HOCLYGCPSA-N 274.433 3.742 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1O 903100327 NVVPXRJDLALHTO-MRVPVSSYSA-N 287.190 3.899 30 20 CHED C=C(C)C[C@H](NC[C@@H](CCC)c1ccccc1)C(=O)O 904033679 VTXOJXHEQLHMDI-CVEARBPZSA-N 275.392 3.579 30 20 CHED O=C(/C=C/c1ccc(C2CCCC2)cc1)c1cc(CO)on1 905077473 XEYZHOOVGQSEKB-JXMROGBWSA-N 297.354 3.721 30 20 CHED CC(=NNc1cncc(Cl)n1)c1cc(C)ccc1C 914557678 VVCQMVSVZGNTGO-UHFFFAOYSA-N 274.755 3.583 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(C)oc1C 916245252 ZZTKLOTWWAJODH-UHFFFAOYSA-N 273.292 3.641 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2cccs2)c1O 920942286 WOHNEEOIFMFDRS-NSIKDUERSA-N 296.735 3.634 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccccc1F)C2=O 921263389 CMRIKGCAGLLYFX-NTEUORMPSA-N 252.288 3.957 30 20 CHED C#CCCCCN[C@@H](c1ccc(C)cc1)c1cccnc1 925525509 CEAULGDCRHDYMJ-IBGZPJMESA-N 278.399 3.873 30 20 CHED CC[C@H](CC(F)(F)F)N[C@@H](C)CC(C)(C)C#N 926169986 ACBSUFKEQMGBOI-VHSXEESVSA-N 250.308 3.635 30 20 CHED C=C(C)CCC(=O)NC[C@H](OC)c1cccc(Cl)c1 1120611107 HPVNSWYTJKLEEI-AWEZNQCLSA-N 281.783 3.500 30 20 CHED Cc1ccc2occ(CC(=O)OCC3(C#N)CCCC3)c2c1 1122736446 SSVHZDHVPLKSNX-UHFFFAOYSA-N 297.354 3.911 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)cc1F 1129654414 ZWMKFRBJFQXIRR-ZFWWWQNUSA-N 288.366 3.642 30 20 CHED C#CCCOC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 1261793446 JNZYDBJVPAQNED-LLVKDONJSA-N 299.292 3.858 30 20 CHED CCCC[C@H](C(=O)O[C@H]1CC[C@@H](C#N)C1)C(C)C 1263386647 YUYCINHAGPTLKU-RDBSUJKOSA-N 251.370 3.684 30 20 CHED Cc1nc(N[C@H](C)c2ccc3c(c2)CCC3)ccc1C#N 1307086359 WRPZDWYFDYKUED-GFCCVEGCSA-N 277.371 3.924 30 20 CHED Cc1cc(C)c2c(c1)CCN([C@H](C#N)c1ccccc1)C2 1308173169 FNRXTEPCVKWPLA-LJQANCHMSA-N 276.383 3.926 30 20 CHED C=CCN(C(=O)N[C@H](c1ncc(C)s1)C1CC1)C(C)C 1318837726 OASMSQDSCMTBOL-ZDUSSCGKSA-N 293.436 3.509 30 20 CHED Fc1ccc(CNN=C/C=C\c2ccccc2)cc1 1319751982 PZPPLOUEXDXUKH-NULHITJFSA-N 254.308 3.615 30 20 CHED C#CCCCCCC(=O)O[C@@H]1c2ccccc2OC[C@H]1C 1320242397 OYSFDVRLSJQNQS-KDOFPFPSSA-N 286.371 3.883 30 20 CHED Cc1coc(C(=O)N[C@](C)(C#N)CCc2ccccc2)c1C 1323394925 XLHOASWJGJVECQ-SFHVURJKSA-N 296.370 3.541 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1C[C@@H](C)c2c(C)ccc(O)c21 1328092230 VZPLFWUTZBTWED-NYTXWWLZSA-N 287.403 3.572 30 20 CHED Cc1cc(C[S@](=O)CCCC(C)(C)C#N)cs1 1332059860 DMFLNAQUVUHXKQ-QGZVFWFLSA-N 269.435 3.635 30 20 CHED C[C@H](COc1ccccc1F)N[C@H](C)CC(C)(C)C#N 1332382922 CRBQBLJRBVTBFI-CHWSQXEVSA-N 278.371 3.511 30 20 CHED 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272.392 3.665 30 20 CHED C=C(Br)CNC(=O)C[C@@H](C)C1CCCCC1 194837166 CIGRCZIDRNHSBY-SNVBAGLBSA-N 288.229 3.618 30 20 CHED CC[C@H](C)N(C)CCNc1ccc(C(F)(F)F)cc1C#N 218081521 AIGIUJIKTZQFID-NSHDSACASA-N 299.340 3.719 30 20 CHED C#CCOc1ccccc1CNc1ccc(Cl)nc1C 227937667 WRXXFBRDKUJTQF-UHFFFAOYSA-N 286.762 3.668 30 20 CHED CN(CC1CCCC1)c1ccc(C#N)c(Br)c1 228187564 AXWIJFWCDPZMSG-UHFFFAOYSA-N 293.208 3.947 30 20 CHED C=CCCOCCNCc1cc(Cl)cc(Cl)c1 229879423 UJUZVVLJJIHMCW-UHFFFAOYSA-N 274.191 3.676 30 20 CHED N#Cc1cccc(COc2ccc3c(c2)C(=O)CCC3)c1 236404107 GEXOOUMMWWMXJF-UHFFFAOYSA-N 277.323 3.656 30 20 CHED Cc1[nH]c2ccccc2c1CCNCc1cccc(C#N)c1 237716008 QBKBTUFOMFFKGU-UHFFFAOYSA-N 289.382 3.680 30 20 CHED CN(CCC#N)c1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cc1 245561731 OGXSAOQNGKWLQF-HKUYNNGSSA-N 297.446 3.801 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1sccc1C)C2 254976468 YBDWBIKOZYLWCG-XYOKQWHBSA-N 270.353 3.888 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccc(F)cc1 255207124 IMWOQDRCEJKGOC-BHQIHCQQSA-N 278.229 3.706 30 20 CHED CC(=NOCc1nc(C)c(C)o1)c1cc2ccccc2o1 255379792 FZWXPDCXSCAZKV-UHFFFAOYSA-N 284.315 3.978 30 20 CHED Cc1ccc(/C=C2\CCc3nc(O)ccc3C2=O)cc1C 255714010 ROURBMCZQOWDOX-GXDHUFHOSA-N 279.339 3.617 30 20 CHED COc1cc(/C=C2/Cc3cc(F)ccc3C2=O)cc(OC)c1 255766861 FOQWKOPZNWEIMY-ACAGNQJTSA-N 298.313 3.665 30 20 CHED CCc1ccc(N/C(N)=N/Cc2cc(C)cs2)cc1 263078073 HJFWWADCCKMHLV-UHFFFAOYSA-N 273.405 3.546 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)CCC2CC2)cc1 265259356 UHYJWOMSISQALQ-UHFFFAOYSA-N 286.375 3.522 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2ccc(OC)cc2)CCCC1 265317200 HGSIFGJIDCVNHQ-AWEZNQCLSA-N 287.403 3.588 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O 268531778 FNKHHQJSZHWXEP-JKSUJKDBSA-N 289.419 3.505 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccc([S@@](C)=O)cc1 271426608 CODDSJQDMFWDFS-WZFJYNIESA-N 279.449 3.675 30 20 CHED C[C@@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1 272385808 FXVFBIHOSAKPJQ-GUYCJALGSA-N 272.392 3.625 30 20 CHED C=CCCCCNC(=O)C[C@@H](C)c1cccc(OC)c1 274673866 YKODRQGAECBEKC-CQSZACIVSA-N 275.392 3.661 30 20 CHED C=CCCN(C)C(=O)C1(c2ccc(OC)cc2)CCCC1 276357289 IJYLHKHRDOSTHC-UHFFFAOYSA-N 287.403 3.542 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1c(F)cccc1Cl 279092752 WLJSSWFSKMCKAZ-VIFPVBQESA-N 282.746 3.596 30 20 CHED CC(C)(C)SCCN(C#N)c1ccc(F)c(C#N)c1 282687224 QWHWMAFRMVILKD-UHFFFAOYSA-N 277.368 3.517 30 20 CHED C=CCC[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccco1 285889401 ZXYSIWKXHFRQBZ-HUUCEWRRSA-N 288.391 3.772 30 20 CHED C[C@H]1CCN(c2nc(Cl)c(C#N)s2)CC12CCC2 286121035 FGCBTTXYVQMEOC-VIFPVBQESA-N 281.812 3.685 30 20 CHED C=CCC(CC=C)c1nc(C(CC)(CC)OC)no1 290524541 QRRMTEJOVZQFAP-UHFFFAOYSA-N 264.369 3.967 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC[C@H]2c2ccc(Cl)cc2)C1 292861851 RQFFYQCDCJWHKY-DFBGVHRSSA-N 260.768 3.779 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCC2(F)F)cc1[N+](=O)[O-] 294874267 FHZGHFBDSMECQI-LLVKDONJSA-N 295.289 3.704 30 20 CHED Cc1cccc(CN(C)C(=O)[C@]2(C#N)CC23CCCC3)c1C 295320169 LYLYVEIWHXPWSF-LJQANCHMSA-N 296.414 3.736 30 20 CHED CC#CC(=O)Nc1ccc(SC(C)(C)C)c(F)c1 296761685 CIVOJPFDAVIVSP-UHFFFAOYSA-N 265.353 3.678 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(N(C)C)cc1C 298660500 WZKXKGDRWGOZBF-UHFFFAOYSA-N 260.381 3.602 30 20 CHED CC(C)Oc1cccc([C@@H](C)N[C@H](C)CCC#N)c1 299184674 ADMAEIOPKAIQRR-ZIAGYGMSSA-N 260.381 3.817 30 20 CHED C=CC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 301225419 BKVUYFCOBALNQX-UHFFFAOYSA-N 280.293 3.979 30 20 CHED Cc1nnc(NCCC2=CCCCCC2)c(C#N)c1C 302189859 KPFUHLKUBBQPRD-UHFFFAOYSA-N 270.380 3.658 30 20 CHED Cc1ccc(C[C@H](C)Nc2ccc(C#N)c(C)n2)s1 311604307 HQBBOOQENHRIMD-JTQLQIEISA-N 271.389 3.675 30 20 CHED CC(C)(C)CCCNc1ccc([N+](=O)[O-])cc1C#N 313472972 NUKCPQIOKHYQFZ-UHFFFAOYSA-N 261.325 3.705 30 20 CHED CC1(C)CCC[C@@H](/N=C(/O)c2cnc3cnccc3c2)C1 328848393 VYOIHVWXVLCPRI-CQSZACIVSA-N 283.375 3.903 30 20 CHED CC[C@@H]1C[C@H](C(O)=Nc2c(C)noc2C2CC2)CC(O)=N1 329773027 LEWJLUCOIGUQNW-WDEREUQCSA-N 291.351 3.594 30 20 CHED N#CC1(/N=C(/O)CN(C2CCC2)C2CCC2)CCCCC1 330264557 YBVHROSVWXSCMQ-UHFFFAOYSA-N 289.423 3.576 30 20 CHED CC(C)c1occc1/C(O)=N/[C@H](CO)CC1CCCC1 330444501 UZZRFVDCOQXMOY-ZDUSSCGKSA-N 279.380 3.649 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(O)=Nc1cnn([C@H](C)CC)c1C 331120099 LXCVHUZVESKQTK-YRGRVCCFSA-N 292.427 3.971 30 20 CHED Cc1cc([C@@H](C)/N=C(/O)N=c2cc(C(C)C)o[nH]2)c(C)o1 331238104 ICHYHXLODPHGID-SNVBAGLBSA-N 291.351 3.517 30 20 CHED Cc1cc(NC(=O)C[C@@H]2C=CCCC2)c(C#N)cc1N(C)C 333250312 CJRIFLNNMMIVRH-CQSZACIVSA-N 297.402 3.618 30 20 CHED N#Cc1cnc(N2C[C@H]3CC[C@H]2c2ccccc23)c(F)c1 334727337 JDHJAFGRXUTBIA-WBMJQRKESA-N 279.318 3.531 30 20 CHED C=CCN(CCCO[C@@H]1CCCCO1)Cc1cccs1 338262258 HWIOYHRMZVPKHE-MRXNPFEDSA-N 295.448 3.669 30 20 CHED Cc1ccc2oc(SCc3ccc(F)cc3C#N)nc2n1 342448061 OOINUFKUNNXNLN-UHFFFAOYSA-N 299.330 3.834 30 20 CHED CCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1Cl 342806823 UCFMMNCMTBQBGW-AAEUAGOBSA-N 278.783 3.521 30 20 CHED N#CCCCN=c1ccc2c(Cl)ccc(Cl)c2[nH]1 343595711 MHEDGBZRVHOCSS-UHFFFAOYSA-N 280.158 3.679 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc2ccoc2c1 343971216 ZGNPVAZILFEPSC-UHFFFAOYSA-N 280.258 3.696 30 20 CHED C=CCCCSc1nnc(C)n1-c1ccccc1 344175950 XSXQZHHYRIBIMB-UHFFFAOYSA-N 259.378 3.634 30 20 CHED COc1ccc(Oc2ccc(CNCCCC#N)cc2)cc1 344362381 SELHBJVNFCAOPM-UHFFFAOYSA-N 296.370 3.881 30 20 CHED C=C(CNC(=O)c1sccc1SC)c1ccccc1 345749877 PLGOBNATMHURMZ-UHFFFAOYSA-N 289.425 3.913 30 20 CHED Cc1cc(F)ccc1-c1noc(-c2cc(C#N)oc2C)n1 346418531 SFWOVZHFMWARCP-UHFFFAOYSA-N 283.262 3.624 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccn(C)c1 346728373 XUBFPJFLIUDNBK-GFCCVEGCSA-N 299.399 3.529 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(C)o2)CCCC1(C)C 347414246 FPTVFKPXWXIEJR-AWEZNQCLSA-N 261.365 3.795 30 20 CHED N#Cc1ccc(/C=C/c2cscc2Br)nc1 349116205 YURYCQXRVJARKZ-DUXPYHPUSA-N 291.173 3.948 30 20 CHED Cc1ncc(CNc2ccccc2S[C@H](C)CC#N)cn1 349735016 WUOCURXBGSPFFH-GFCCVEGCSA-N 298.415 3.791 30 20 CHED C=C(C)CN(CCCCF)Cc1cnn(C(C)C)c1 352920801 AOAISODCCWZBGR-UHFFFAOYSA-N 267.392 3.592 30 20 CHED CC[C@@H](C)CN1CCC(Oc2ccc(C#N)cc2F)CC1 353019426 GNVOCEVMMITZQP-CYBMUJFWSA-N 290.382 3.587 30 20 CHED COc1ccc(C#N)cc1NCc1ccc([C@@H]2C[C@H]2C)o1 354856729 VBBBLANJBMYCKY-BXUZGUMPSA-N 282.343 3.895 30 20 CHED C=CCN(C(=O)c1cc(C)c(C)cc1Cl)C1CC1 357956338 VFLPXPJDJLXFJD-UHFFFAOYSA-N 263.768 3.747 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 361190382 PAQHJOJBNJFMIM-MISXGVKJSA-N 281.346 3.979 30 20 CHED CC1(C)[C@H](c2ccccc2)C[C@H]1NCC1(CC#N)CC1 370668317 VEPSYTCLMLJCEB-JKSUJKDBSA-N 268.404 3.852 30 20 CHED C[C@H]1CCC[C@H](CN2CCC(C#N)(c3ccccn3)CC2)C1 376593787 AYRJPRIZPPIIHA-IRXDYDNUSA-N 297.446 3.765 30 20 CHED Cc1c(Br)cccc1N[C@@H]1CC[C@H](C#N)C1 381356640 DHYAWLNZPLCUOD-WDEREUQCSA-N 279.181 3.862 30 20 CHED CC[C@@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 388848820 ZXDKCBWPZARZNH-MWLCHTKSSA-N 283.297 3.963 30 20 CHED C[C@H](CN[C@H](C)c1cccc(C#N)c1)CC(F)(F)F 396906607 FOIODULAULXIBF-WDEREUQCSA-N 270.298 3.797 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 398145509 QBOUZVBAYUMXJA-SNVBAGLBSA-N 296.754 3.723 30 20 CHED C[C@@H](C#N)N(C)C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 410884999 UUBDHFCHPPKSST-OWCLPIDISA-N 294.439 3.513 30 20 CHED C[C@H](CCC#N)N1CCC[C@H](Cc2ccccc2)C1 411261936 RXDIGSXBHXRWRX-NVXWUHKLSA-N 256.393 3.633 30 20 CHED C[C@@H]1CN([C@@H](C)CCC#N)CC[C@H]1c1ccccc1 411308267 ICRHIGMWIHHLGB-HLLBOEOZSA-N 256.393 3.804 30 20 CHED CO[C@@](C)(C1CC1)[C@H](C)NCc1ccc(C#N)cc1Cl 411968424 JPPIMEQMQFCFFD-MEDUHNTESA-N 292.810 3.505 30 20 CHED C[C@@H]1CC(C)(C)CN1c1ccc(C(F)(F)F)c(C#N)n1 413561030 MHXOLCFLNCTBCI-SECBINFHSA-N 283.297 3.597 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(OC)cc1C 414151213 PVCXBTZJBYAPEH-MPGHIAIKSA-N 289.419 3.635 30 20 CHED CC[C@@H](CNCc1ccc(C#N)c(C)c1)CC(F)(F)F 414505978 BIHUDCBGGZVPDW-GFCCVEGCSA-N 284.325 3.935 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CSC[C@H]1C 414541821 WWBLSDXCYYJQGZ-FVQBIDKESA-N 261.434 3.515 30 20 CHED C=C(CC)CNC(=O)Nc1ccc2c(c1)C(=O)CCCC2 421161209 ZWLPZOLMYBQDIR-UHFFFAOYSA-N 286.375 3.683 30 20 CHED Cc1ccc(CCCC(=O)NCc2ccc(C#N)s2)cc1 421599737 GZTROTCRAWERFY-UHFFFAOYSA-N 298.411 3.567 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc2c(cc1Cl)OCCO2 424576682 YSGZGSBPSVOMMH-UHFFFAOYSA-N 295.766 3.652 30 20 CHED C=C(C)CNC(=O)C(C)(C)Cc1cccc(Cl)c1 427945173 QPCMFMBWMMFOEK-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C=CCN(CCC#N)[C@H](C)c1ccc(F)c(Cl)c1 428847319 UQIZNEIQIRVASO-LLVKDONJSA-N 266.747 3.942 30 20 CHED Cc1ccc2c(c1)CN(Cc1cccc(F)c1C#N)C2 428952719 IRZVTTNCPCCNPU-UHFFFAOYSA-N 266.319 3.522 30 20 CHED C[C@H]1CC[C@@H](N(C)CC#Cc2cccc(Cl)c2)C1 429563644 BTISZNQIUGCOJW-XJKSGUPXSA-N 261.796 3.812 30 20 CHED C=CCC(C)(C)C(=O)NCCc1cccc(Cl)c1 429920577 FAYTXLNUVIPDLN-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(O)cc1OCCC 430471008 NFYKUSZBBVHPRY-MRXNPFEDSA-N 277.364 3.722 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(OC)c(C)cc1C 439401258 HYHUAKNIDGCFFO-CYBMUJFWSA-N 276.380 3.788 30 20 CHED CN(C)Cc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1Cl 442873352 OTQBHRSUKREADM-WCQYABFASA-N 277.799 3.506 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccnc1-c1ccc(C)s1 446574627 FMZKPANKLYEFEJ-SNVBAGLBSA-N 287.388 3.815 30 20 CHED CC(C)c1ccc([C@H](C)NC(=O)[C@@]2(C#N)C[C@H]2C)cc1 448579641 DPVZGOZRBXNEDT-IIYDPXPESA-N 270.376 3.537 30 20 CHED N#CC1(CN(CCc2cccc(F)c2)C2CC2)CCC1 450399405 CYJCJJWTULVXGY-UHFFFAOYSA-N 272.367 3.526 30 20 CHED C=CCCN[C@H](CCOC)c1cccc(C(F)(F)F)c1 451695193 PAASQFUTSXKEOZ-CQSZACIVSA-N 287.325 3.949 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCC1(F)F 452312256 NAYYDVNQXJZADM-WCQYABFASA-N 259.340 3.530 30 20 CHED C=CC(C)(C)CNC(=O)Cc1nc(-c2ccccc2)oc1C 452778079 PMFZLHWQVYCWNR-UHFFFAOYSA-N 298.386 3.521 30 20 CHED C=CC(C)(C)CNC(=O)Cc1ccc2ccccc2c1 452779639 USXKVHKSFZKYAZ-UHFFFAOYSA-N 267.372 3.711 30 20 CHED C=CC(C)(C)CNC(=O)c1cc2ccccc2s1 452779892 VUBOVEAFZHCNTE-UHFFFAOYSA-N 259.374 3.843 30 20 CHED C=CCC1(c2nc([C@@H]3CCCOC3)no2)CCCCC1 453180321 WLUKENWZGPDWGA-CYBMUJFWSA-N 276.380 3.742 30 20 CHED C=CCCC1(c2nc([C@H](Cc3ccccc3)OC)no2)CC1 453208183 APHLSSJYDSUJMG-HNNXBMFYSA-N 298.386 3.998 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1sc(C(C)C)nc1C 453335698 FOSXXTGJGFCDLE-BNOWGMLFSA-N 294.464 3.959 30 20 CHED C=CCC[C@@H](CO)N[C@H](CC)c1ccc(Cl)s1 453357648 NKFCQVLJGHBBKD-WDEREUQCSA-N 273.829 3.769 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 454207606 SYDDBDUDKOVADT-AWEZNQCLSA-N 285.391 3.848 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](C)c1cc(F)ccc1F 455525681 RODWAIYRUZMJAE-LLVKDONJSA-N 282.334 3.633 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 456763134 ZMOCFLXGEFJVGK-ZBFHGGJFSA-N 270.376 3.908 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 456829616 OWFUDGXSWRWXEU-UONOGXRCSA-N 297.320 3.891 30 20 CHED C=CC[C@@H](C(=O)NCc1cnc(C)cc1C)c1ccccc1 456846924 UEYPOUXQSASOBU-GOSISDBHSA-N 294.398 3.675 30 20 CHED Cc1cncc(CCC(=O)Nc2sc(C)c(C)c2C#N)c1 459848681 ZNDIFIVXSXPDKG-UHFFFAOYSA-N 299.399 3.511 30 20 CHED CC#CCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 462322909 RRRZGVDODNTRAX-OAHLLOKOSA-N 298.213 3.780 30 20 CHED CC[C@@H](CC(F)(F)F)NC(=O)[C@H](C)c1cccc(C#N)c1 462482314 FUOQONMJQJNWFM-MFKMUULPSA-N 298.308 3.509 30 20 CHED C=CCCCSCc1cc(OC)c(F)cc1[N+](=O)[O-] 464073419 TUHPDCBRFSSICT-UHFFFAOYSA-N 285.340 3.942 30 20 CHED C=CCCN(C)C(=O)NCc1cc(Cl)sc1Cl 466768839 SKEUUKNGYHUHQZ-UHFFFAOYSA-N 293.219 3.772 30 20 CHED C=CCOCCCN(CC)Cc1ccccc1Cl 470716296 BGOVEWGGPBFEPK-UHFFFAOYSA-N 267.800 3.755 30 20 CHED C=CCCCCNC(=O)[C@H](SC)c1ccccc1 471705125 INOXLNYZKRWGFC-CQSZACIVSA-N 263.406 3.563 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CCOC)[C@@H]1CC[C@H](C)C1 479756241 ZRWBNDKGNNTUCY-HRCADAONSA-N 296.455 3.578 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(OC)cc1 482909268 GHUAGUUCRYWYIW-UHFFFAOYSA-N 287.403 3.904 30 20 CHED CC#CCCNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 483428162 MVXCQFKZZXYKCW-ZDUSSCGKSA-N 284.359 3.549 30 20 CHED N#CCc1ccc(CN2CCc3cc(Cl)ccc3C2)cc1 483988931 SZEGWZVWKAMTIU-UHFFFAOYSA-N 296.801 3.964 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2cccc(C#N)c2)CS1 488299448 NPNIQVKVDZTJTJ-KGLIPLIRSA-N 260.406 3.890 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)C[C@@H]1CC=CCC1 488982865 QDTBYSCHKBIYIA-QGZVFWFLSA-N 298.430 3.671 30 20 CHED C=CCC[C@@H](C(=O)N(CC=C)C1CC1)c1ccccc1 489634134 BMFPNMRQKSDVPS-QGZVFWFLSA-N 269.388 3.913 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(F)cc(Cl)c1 490058725 KPULMAHQLFYENN-UHFFFAOYSA-N 269.747 3.811 30 20 CHED C=CCN(CCOC)C(=O)Nc1ccc(CC)c(Cl)c1 490825877 LIVHBQSWSAOTLF-UHFFFAOYSA-N 296.798 3.569 30 20 CHED C[C@H]1CCN(c2cc(Cl)ccc2C#N)CC1(F)F 491542626 DRDFRLNCKJVXAZ-VIFPVBQESA-N 270.710 3.693 30 20 CHED CCN(CC#N)C(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 492167653 IUPOZJFAMKNXPX-UHFFFAOYSA-N 286.419 3.634 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2cccc(C#N)c2)C1 493583020 YMSNRAMEXAFNRA-STQMWFEESA-N 256.349 3.713 30 20 CHED CN(CC(C)(C)C#N)C(=O)CC(C)(C)C1CCCCC1 497263980 VFVDLRUYFIXUMK-UHFFFAOYSA-N 278.440 3.991 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)[C@H](C)C1CCCCC1 497836150 NEOONAWTEOWNKC-UONOGXRCSA-N 266.429 3.809 30 20 CHED CC(C)C[C@@H](C)CNC1(c2cccc(C#N)c2)CC1 499610032 ZPYMAVBVSALTQU-CQSZACIVSA-N 256.393 3.819 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H]2CC(C)C)cc1 500190609 ZSJUTAIYCJVRFA-INIZCTEOSA-N 287.403 3.902 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)CC(C)(C)C#N)CC(C)(C)C1 509111676 NQMQADSUUVQOQN-KGLIPLIRSA-N 278.440 3.895 30 20 CHED Cc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)c(C)c1 509696412 GMFAQXUYSAXDMT-UHFFFAOYSA-N 293.370 3.691 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1cccc(OCC)c1 529200891 UYZCMKOTWYXPAG-MRXNPFEDSA-N 287.403 3.585 30 20 CHED C[C@H]1[C@H](C2CC2)[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 529432509 ALOQEFCVUXJAKI-TZTCFGBESA-N 288.778 3.637 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H]1c1ccccc1 537189145 GZQVARHMYMHHMD-GDBMZVCRSA-N 272.392 3.888 30 20 CHED CCCC(O)(CCC)CN[C@@H](C)c1ccc(C#N)c(F)c1 537404765 HXSYZMGZOIVDLV-ZDUSSCGKSA-N 292.398 3.679 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCc1c[nH]c2ccccc12 539387820 MHVBDRNJMAIDRQ-CQSZACIVSA-N 299.418 3.754 30 20 CHED COCCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542016491 GLPPNGWAJHUGTR-OAHLLOKOSA-N 294.398 3.912 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCC(C)(C)C#N 543472294 VSGIBUDACMROFL-ILXRZTDVSA-N 250.430 3.977 30 20 CHED C[C@H](NCCF)c1ccc(-c2cccc(C#N)c2)cc1 543873459 XGHLHCWPGQZYDH-ZDUSSCGKSA-N 268.335 3.845 30 20 CHED C=CCCCN[C@H](Cc1ccccc1OC)C(C)C 544454592 IBNQUCJYJQUVAX-MRXNPFEDSA-N 261.409 3.818 30 20 CHED CCN(CCC1CC1)Cc1ccc(C#N)cc1OC(F)F 546932426 FEHNYKDGDYRRGJ-UHFFFAOYSA-N 294.345 3.782 30 20 CHED N#CCCCS(=O)(=O)c1ccc(C2CCCCC2)cc1 547500426 GJZOVLQEGWYKQY-UHFFFAOYSA-N 291.416 3.812 30 20 CHED C=CCCc1nc(COc2ccc(Cl)c(F)c2)no1 551509086 VCOSYUGJGYCSAT-UHFFFAOYSA-N 282.702 3.560 30 20 CHED C=CCOc1ccc(CNC2(CF)CCC2)cc1Cl 563121653 AJMIXVBBCXWZAK-UHFFFAOYSA-N 283.774 3.887 30 20 CHED C[C@]1(C(=O)N2CCC(CCC#N)CC2)C[C@@H]1c1ccccc1 566071333 UDUAAVGBEPWJBN-MJGOQNOKSA-N 296.414 3.723 30 20 CHED CC(C)(C)[C@H](NC[C@@H](C#N)CCC#N)c1cccc(F)c1 567682839 AATSERDVNPCUJO-CZUORRHYSA-N 287.382 3.946 30 20 CHED N#Cc1ccccc1SCCOc1ccccc1F 580493230 ANYMQLPISAXSIZ-UHFFFAOYSA-N 273.332 3.868 30 20 CHED Cc1csc(NC(=O)NCC(C)(C)C(C)C)c1C#N 581764464 SMNOBBPBWDAGRE-UHFFFAOYSA-N 279.409 3.732 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 581764711 QDXHSBFZXOXAMY-UWVGGRQHSA-N 280.334 3.617 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1ccc(OC(F)F)cc1 588523495 UIOZZAIAJLVIKS-XFSBKJJWSA-N 293.244 3.718 30 20 CHED C[C@H]1CCC[C@H](C)N1C(=O)[C@H](C)Cc1ccc(C#N)cc1 593957637 OXNWUTAYUJEPRQ-ILXRZTDVSA-N 284.403 3.526 30 20 CHED N#CC1(CC(=O)N2CC[C@H](c3ccccc3)C2)CCCCC1 596995999 RMGAYAJBVHHRCR-KRWDZBQOSA-N 296.414 3.867 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(CC#N)CC2)cc1C 597497542 HYJNNKQOJSBIBD-ZWKOTPCHSA-N 296.414 3.559 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)NC(=O)CCCCCC#N 597887817 ULBWFTYTWKCYFO-INIZCTEOSA-N 290.382 3.737 30 20 CHED Cc1cccc2c(C(=O)N3CCC[C@H](CC#N)C3)coc12 597902223 QPMBCAZPMNZRQL-CYBMUJFWSA-N 282.343 3.507 30 20 CHED Cc1ccccc1N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 598895779 SSDPWRBYRXFFNG-DLBZAZTESA-N 290.366 3.633 30 20 CHED CC[C@@H](NC(=O)CC(C)(C)C#N)c1cc(C)ccc1C 600518186 ULBPYENKEDOWID-OAHLLOKOSA-N 272.392 3.811 30 20 CHED CC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(C#N)cc1 601306782 RFIFVVFHVMIGQH-FRRDWIJNSA-N 268.282 3.550 30 20 CHED CCc1nc(C)c([C@@H](C)N(C)C[C@@H](C)CCC#N)s1 602471231 KUHXKWDCCQHMPC-WCQYABFASA-N 279.453 3.947 30 20 CHED C[C@H]1C[C@@H](NC[C@H](C)CCC#N)CCN1Cc1ccccc1 602563915 IBBOYRQNEJHINX-AOIWGVFYSA-N 299.462 3.569 30 20 CHED CC[C@@](C)(NC[C@@H](C)CCC#N)c1ccc(F)cc1 602726715 AFVAVGFIDMZMDB-XJKSGUPXSA-N 262.372 3.980 30 20 CHED CN(CCCNc1ccc(C#N)cc1)c1ccccc1F 603942623 SLFAXCBBMAHCBL-UHFFFAOYSA-N 283.350 3.636 30 20 CHED Cc1ccc(SCCC(=O)N(CCC#N)C(C)C)cc1 608814399 SORUAJRRTNKDOA-UHFFFAOYSA-N 290.432 3.628 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)cc1 609034398 TYRRCXMTWDJQDR-RDJZCZTQSA-N 284.403 3.893 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(F)c(C#N)c1 609102676 OQWQGWSXRONYCV-NEPJUHHUSA-N 274.339 3.852 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1Cc1cccc(C#N)c1 610001886 KDYKQDKKEUMDDF-YOEHRIQHSA-N 256.393 3.959 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@](C)(C#N)C1 612165183 LACGUTIKZBJHNN-CZUORRHYSA-N 287.363 3.590 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cc(Cl)cc(Cl)c2)C1 613661330 ANNIRTIZRZIRSE-RNCFNFMXSA-N 269.175 3.775 30 20 CHED Cc1cc(C#N)ccc1Cn1ccc(-c2ccc(F)cc2)n1 614392578 WWHOJHNBMANIQM-UHFFFAOYSA-N 291.329 3.918 30 20 CHED C[C@]1(N[C@H]2CCC[C@@H](C#N)C2)CCCc2ccccc21 618573787 QEGNPNATQDXUPM-HFTRVMKXSA-N 268.404 3.910 30 20 CHED C=CCN(Cc1cc2n(n1)CCCC2)Cc1ccccc1F 649494801 ZDOCDTNMWXJMJP-UHFFFAOYSA-N 299.393 3.547 30 20 CHED C=CCCNC[C@@H](C)c1cccc(Br)c1 657582814 HSTLLGZTUPEHMN-LLVKDONJSA-N 268.198 3.718 30 20 CHED C=CCC1(NC(=O)Nc2cccc(C)c2C)CCOCC1 665123974 VRDDVDNWANMXCU-UHFFFAOYSA-N 288.391 3.550 30 20 CHED C=CCCNC(=O)N(CC)[C@@H](CC)Cc1ccccc1 665945630 IEVPFQIHLZTAOC-INIZCTEOSA-N 274.408 3.615 30 20 CHED CC(=O)c1cc(F)c(NC(=O)CCCCCC#N)c(F)c1 675520446 ABMQPGTYRLLXDV-UHFFFAOYSA-N 294.301 3.580 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(SC(F)(F)F)cc1 690177879 AVTJTNFZBITKIP-QMMMGPOBSA-N 288.294 3.787 30 20 CHED COc1cccc(NN=C(C)c2ccc(N(C)C)cc2)c1 725854863 FNSOBAKFSLIQRT-UHFFFAOYSA-N 283.375 3.597 30 20 CHED C[C@@H](CN(C)c1snc(Cl)c1C#N)c1ccccc1 727434761 IOIGFLHFZYLIRD-JTQLQIEISA-N 291.807 3.908 30 20 CHED O=[N+]([O-])c1ccc(NN=C/C=C\c2ccco2)c(Cl)c1 727650165 QUMSSXNHOGAVII-ORSVNFICSA-N 291.694 3.952 30 20 CHED C#CCOc1ccccc1OCc1ccc(C)cc1 730566861 LZUKJVZDEQMKDG-UHFFFAOYSA-N 252.313 3.586 30 20 CHED Cc1ccc(C[C@@H](C)/N=C/c2cccc(O)c2O)c(C)c1 731155392 FQRBFBRHXFUIMF-HIPSJFSSSA-N 283.371 3.765 30 20 CHED CN(Cc1ccc(OCC#N)cc1)CC1CCCCC1 731210653 YOHUACJJXWSGEZ-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C[C@H](Nc1ncccc1C#N)c1nc2ccc(Cl)cc2[nH]1 732568762 KDIAEHCFNAGSIC-VIFPVBQESA-N 297.749 3.656 30 20 CHED N#C[C@@H](Sc1nccn1C1CC1)C1CCCCC1 734367969 NVLYVRFNWIVYPW-CYBMUJFWSA-N 261.394 3.783 30 20 CHED Cc1cc(C(=O)/C=C/c2ccoc2C(=O)O)cc(C)c1F 738320546 UJOHSPJILFBWAY-ONEGZZNKSA-N 288.274 3.630 30 20 CHED Cc1cccc([C@H](C)C/N=C\c2cc([N+](=O)[O-])ccc2O)c1 741165345 LBFMDBCNNBJCKI-NCUBORBFSA-N 298.342 3.831 30 20 CHED Cc1cc(O)c(CN[C@@H](C)c2cccc(C#N)c2)cc1C 743495718 IGWVANVJNFZJSO-AWEZNQCLSA-N 280.371 3.732 30 20 CHED C[C@H]1CCc2c(C(=O)OCC3(CC#N)CC3)csc2C1 744278418 YVAXACJKDHMYFM-NSHDSACASA-N 289.400 3.724 30 20 CHED C=C(C)CCOC(=O)C[C@@H]1CCc2ccccc2C1 744303053 MDXBCXFRWIBNBY-CQSZACIVSA-N 258.361 3.691 30 20 CHED C=C(C)CCOC(=O)c1ccc(COC(C)C)cc1 744303451 BLRZMFPAYKKDPG-UHFFFAOYSA-N 262.349 3.735 30 20 CHED Oc1ccccc1C=Nc1ccc2c(cnn2C(F)F)c1 746523269 TUNIJBGEDVAUTP-UHFFFAOYSA-N 287.269 3.888 30 20 CHED Fc1ccc(/C=C/C=NNc2ccc(Cl)nc2)cc1 747764897 UXAGQWCQCLWFKZ-HSWNSSPZSA-N 275.714 3.985 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNC(=S)Nc1cccnc1 748243761 CWCCJDHZPRPEPY-NSHDSACASA-N 290.436 3.570 30 20 CHED C=CC[C@@H](NC(=O)N[C@H]1CCCC1(C)C)c1ccncc1 750642462 NSTUOQIEAOQXBU-CABCVRRESA-N 287.407 3.577 30 20 CHED C=CCc1cc(OC)cc(CN(CC(C)C)C2CC2)c1O 754722462 CBCUTXLCHYPGDO-UHFFFAOYSA-N 289.419 3.750 30 20 CHED C=C(Cl)CNC(=O)c1ccc([C@H](C)CC)cc1 755382233 OPIZEUIDYLRZAM-SNVBAGLBSA-N 251.757 3.682 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)[C@H]1CCc2ccccc21 755700856 PBSBGQLUJBMRJR-OAHLLOKOSA-N 287.366 3.784 30 20 CHED C#CCCOc1ccc(CNCCSCC(C)C)cc1 756040824 CKKHDIILNUFQAO-UHFFFAOYSA-N 291.460 3.568 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1cc(F)cc(F)c1)OCC 756579158 JSZGSPJBHNAKQX-ABAIWWIYSA-N 298.329 3.940 30 20 CHED C#CCCCN[C@@H]1CCC[C@@H]1c1ccccc1Cl 756610633 PWEUTBKMYNZTCM-GDBMZVCRSA-N 261.796 3.979 30 20 CHED CCCNN=Cc1cc(-c2ccccc2)ccc1OC 756826049 SVMWPUUHJIGNAJ-UHFFFAOYSA-N 268.360 3.696 30 20 CHED C=CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]1CC)c1ccncc1 757207560 IKAZYUKOWBIIHK-CWRNSKLLSA-N 287.407 3.577 30 20 CHED C#CCCCCNC(=O)c1ccc(-c2ccccc2)cc1 758632129 TVRGKYZFVLMNFK-UHFFFAOYSA-N 277.367 3.887 30 20 CHED COc1cc(F)cc(NN=Cc2ccccc2C)c1 759209739 IOEXSAGNJZFVGT-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cccc(-c2ccoc2)c1 761129731 KJURKNREFAABBI-UHFFFAOYSA-N 296.370 3.958 30 20 CHED COc1ccsc1C=NNc1ccc(OC(F)F)cc1 764689603 BEAZYUOHEDNMDU-UHFFFAOYSA-N 298.314 3.804 30 20 CHED Fc1ccccc1CCNN=Cc1ccccc1C1CC1 764721373 FWFKXVHOESGMCU-UHFFFAOYSA-N 282.362 3.869 30 20 CHED CC(C)C(=NNCc1cnc2ccccc2c1)C1CC1 764779328 SBJYYRNGTOGKOF-UHFFFAOYSA-N 267.376 3.746 30 20 CHED C[C@H]1CCCC[C@H]1N1CCC(=NOCC(F)(F)F)CC1 764836106 PTZWNTXCJPGNPQ-WCQYABFASA-N 292.345 3.596 30 20 CHED CC(=NNc1ncnc2ccsc12)c1ccc(C)cc1 764836118 UKMPGLOGTQZPGV-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C=CC[C@H](C)C(C)=NNc1ncnc2ccsc12 764840843 LRNVOJUTXBJNBY-VIFPVBQESA-N 260.366 3.691 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2cc(C)ccc2C)c1 766503330 WKJMVEPHKDCQLM-SREVYHEPSA-N 284.311 3.579 30 20 CHED C#CCC(C)(C)C(=O)NC(CC(C)C)CC(C)C 767086177 OKWLPZMSFSCBGJ-UHFFFAOYSA-N 251.414 3.613 30 20 CHED C=CC[C@H]1N(C(=O)/C=C/c2ccco2)CCCC1(C)C 767218844 LDBNRIRDHCKQGJ-BOLDSZDNSA-N 273.376 3.886 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccccc1SCC=C(C)C 767252521 BRTNZUOLSBJVCC-CQSZACIVSA-N 287.428 3.839 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cnccc1Cl 768817781 IIMOXRMAKWODMX-UHFFFAOYSA-N 280.755 3.612 30 20 CHED N#Cc1ccc(CNN=C(CC2CC2)c2ccccc2)cc1 769823690 WJZGOFDNUUAKBZ-UHFFFAOYSA-N 289.382 3.852 30 20 CHED CC(=O)Nc1ccc(C(C)=NNc2c(C)cccc2F)cc1 769827759 JKUHKNXMPYABHJ-UHFFFAOYSA-N 299.349 3.929 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1cnccc1C 771555529 MUQBGQDQLJABTJ-UHFFFAOYSA-N 295.173 3.928 30 20 CHED C#CCOc1ccccc1CN[C@@H](CC)CCC=C 772987839 LSJCVIXHBPEQTP-INIZCTEOSA-N 257.377 3.533 30 20 CHED CC1=CCC[C@H](C)[C@H]1CNCc1cc(C#N)ccc1F 775311514 UOHPOEHOXQPIOP-BBRMVZONSA-N 272.367 3.779 30 20 CHED Cc1cc(Cl)cc(C)c1/C=C/C(=O)c1cn(C)nc1C 776190654 XTGCLSRFCGLJSS-AATRIKPKSA-N 288.778 3.895 30 20 CHED N#C[C@@H](OC(=O)c1ccc2ncccc2c1)C1CCCCC1 776378295 BFCSNHHXVOZNRJ-QGZVFWFLSA-N 294.354 3.864 30 20 CHED Fc1ccc(Cl)cc1C=NOCCC(F)(F)F 777460414 PASCFAIWVPZZBT-UHFFFAOYSA-N 269.625 3.782 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc2ccccc2n1 780248942 BPUQYGJOGVRQAF-HNNXBMFYSA-N 297.402 3.506 30 20 CHED CC(=NNc1ccnc(F)c1)c1coc2ccccc12 781132995 KRCNZVHZAVXHOK-UHFFFAOYSA-N 269.279 3.803 30 20 CHED Cc1cc(COC(=O)CCc2ccccc2)ccc1C#N 781988077 UYUZLFQPUBJEHR-UHFFFAOYSA-N 279.339 3.543 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)OCCCC(C)(C)C#N 782178845 HDRRGZDCAPYSEZ-UHFFFAOYSA-N 284.359 3.963 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1 782193102 DIVRADDTXIWAJK-YVMONPNESA-N 286.762 3.697 30 20 CHED C[C@]1(C#N)CCCN([C@H]2CCc3cc(Cl)ccc32)C1 782193137 JBWPBTBPJZAKKH-JKSUJKDBSA-N 274.795 3.953 30 20 CHED O=C1/C(=C\c2ccc3cnccc3c2)COc2ccccc21 782307105 YDYPKWYXRIMRAE-YBEGLDIGSA-N 287.318 3.894 30 20 CHED C=CCCOC(=O)c1ccc(C(F)(F)F)c(F)c1 784244369 BVOHSDCNGWRSQC-UHFFFAOYSA-N 262.202 3.577 30 20 CHED Cc1cc(F)ccc1COC(=O)CCc1ccc(C#N)cc1 784264143 BTFOXEOIVYBJAE-UHFFFAOYSA-N 297.329 3.682 30 20 CHED O=[N+]([O-])c1ccccc1/C=C\C=NNC1CCCCC1 786042430 WKPBAOWTFIZRCM-FZEZYONISA-N 273.336 3.516 30 20 CHED C/C(C=NNCc1ccccc1)=C/c1cccc([N+](=O)[O-])c1 787163465 RIRCGXGKZFPSAO-ZHISUADHSA-N 295.342 3.774 30 20 CHED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1cncs1 787172215 SWFAVKUDGGXOPK-VKDZAETISA-N 286.312 3.504 30 20 CHED C=CCOCCCC(=O)OC/C=C\c1ccc(Cl)cc1 787719623 FAUPWHAYVKWPBC-HYXAFXHYSA-N 294.778 3.879 30 20 CHED CCc1cccc(Cl)c1C=NN=c1cc[nH]cc1Cl 788718268 OGLCMSQHCFDRDD-UHFFFAOYSA-N 294.185 3.819 30 20 CHED C=CCCOC(=O)c1ccccc1CSCC 789101568 XYEGXBKBHGFRKW-UHFFFAOYSA-N 250.363 3.673 30 20 CHED COCc1ccc(C=NN2CCC(C(C)(C)C)CC2)o1 790180904 LCAVVQVVKVXLAL-UHFFFAOYSA-N 278.396 3.518 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](C)c1cc2ccccc2o1 791040893 ATYAYWVPCIEGII-GXTWGEPZSA-N 284.359 3.595 30 20 CHED C=CCC1(C(=O)OCc2ncccc2C(F)(F)F)CCC1 791874660 SVIDMYOTKHCDMX-UHFFFAOYSA-N 299.292 3.890 30 20 CHED CC1(C)CCCC[C@H]1NN=C[C@@]1(C)CCCS1 793051136 HFWNXLOPRZJZCZ-TZMCWYRMSA-N 254.443 3.816 30 20 CHED COC(=O)c1cc(NN=C2CC3(CCC3)C2)ccc1C 793098290 QMEZDPICQDQONW-UHFFFAOYSA-N 272.348 3.514 30 20 CHED C[C@H](NN=Cc1ccc2cnccc2c1)C(C)(C)C 793114324 KYZGQXHUOFFOAH-LBPRGKRZSA-N 255.365 3.593 30 20 CHED CC(=NNc1ncncc1F)c1cccc(Cl)c1Cl 793211127 HSONFUSCLXZSJR-UHFFFAOYSA-N 299.136 3.759 30 20 CHED COc1c(C)cc(C(C)=NOC2CCOCC2)cc1Cl 794930725 LETMSXIWCXBEQQ-UHFFFAOYSA-N 297.782 3.577 30 20 CHED Cc1cccnc1NN=Cc1ccc2occc2c1 794939946 NOHLNSDIARHNJO-UHFFFAOYSA-N 251.289 3.582 30 20 CHED CC(CCc1ccsc1)=NNc1cccc(F)n1 795009180 XNNWVZCHOBRVHR-UHFFFAOYSA-N 263.341 3.703 30 20 CHED CC(C)Oc1cccc([C@@H](C)OC(=O)c2ccc(C#N)o2)c1 797126511 HYLGWMJODBRAIP-GFCCVEGCSA-N 299.326 3.856 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1CC(C)C 798550633 CLCSMBLYXMFDOC-HNNXBMFYSA-N 259.393 3.970 30 20 CHED C#C[C@@H](NC(=O)N(C)Cc1cccc2ccccc12)C(C)C 798552488 PKEFFPUNGAXNFP-GOSISDBHSA-N 294.398 3.639 30 20 CHED CC(C)(C)C#CCOC(=O)CCc1c[nH]c2ccccc12 798890226 RNDVDACXMJYEHX-UHFFFAOYSA-N 283.371 3.693 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(N3CCCCC3)c2)C1 799721629 OWFDZJSLMUQLIF-GOEBONIOSA-N 269.392 3.781 30 20 CHED C[C@@H](C#N)OCCSCCCOc1cccc(Cl)c1 802750244 ZOANAROHIAEUGN-LBPRGKRZSA-N 299.823 3.771 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc2ccccc2c1 803781049 BMAGAEBCRDNRNS-QGZVFWFLSA-N 267.328 3.823 30 20 CHED CCCCCCCCC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3OC 804383245 RNZJVJMGGDTUSB-HITLURFISA-N 293.451 3.619 30 20 CHED C=CCCCCCCNC(=O)N1C[C@@H](C)S[C@H](C)C1 806003293 BSSCJZJFLACEHO-ZIAGYGMSSA-N 284.469 3.658 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(OC(C)C)cc1F 806245526 ITBLCWGWRYLPEZ-LBPRGKRZSA-N 292.354 3.536 30 20 CHED C#C[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)C(C)(C)C 807878713 ZPQSLFLDXTVWBA-QGZVFWFLSA-N 292.382 3.526 30 20 CHED C[C@H]1CCCC(=NNc2nccnc2C2CCC2)[C@@H]1C 807991426 LORSEVXMDLYPMC-NWDGAFQWSA-N 272.396 3.968 30 20 CHED Cc1cc(OC(=O)C2(C(F)F)CCCC2)ccc1C#N 808780178 TXQSBZDUIVKYCB-UHFFFAOYSA-N 279.286 3.598 30 20 CHED C#Cc1ccc(CNC[C@H]2CCCO[C@H]2C(C)(C)C)cc1 809621056 ZMJAUKDMTZAVOF-QZTJIDSGSA-N 285.431 3.599 30 20 CHED C#C[C@H](CC)NCc1ccc(-c2cccc(F)c2F)o1 809686431 RLYLKECPAUXZBY-LLVKDONJSA-N 275.298 3.726 30 20 CHED Cc1cc(C=NOC/C=C\Cl)c(C)n1-c1nccs1 811667905 GOCZMUPCMKFOBM-IGCRCVNYSA-N 295.795 3.654 30 20 CHED Cc1ccc2cc(C=NOC/C=C\Cl)ccc2n1 811668196 LMPDOZJWQSIPCR-XDTJBJCGSA-N 260.724 3.646 30 20 CHED Cl/C=C/CON=Cc1cc(Cl)cc2cccnc12 811669190 XOFRLTHKPIFGLO-WRNZZDALSA-N 281.142 3.991 30 20 CHED COc1ccc([C@H](C)C(C)=NOCCC2CC2)cc1OC 814245718 FMJMPFNSKVEQPU-GFCCVEGCSA-N 291.391 4.000 30 20 CHED Clc1ccc(CNN=Cc2nccs2)c(Cl)c1 814798525 LHHKRUAZEZGFOE-UHFFFAOYSA-N 286.187 3.574 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1ccc(C#N)cc1 814803793 ZDIJLTDRAGVSSL-UHFFFAOYSA-N 267.307 3.728 30 20 CHED C=CCCC(CCC)=NNc1cc(Cl)nc(C)n1 814855613 PQPYEGQBPPWGGT-UHFFFAOYSA-N 266.776 3.973 30 20 CHED COC[C@H](C)NN=Cc1sc2c(Cl)cccc2c1C 814895759 UPWZBTJLGQFQKT-VIFPVBQESA-N 296.823 3.822 30 20 CHED FC(F)(F)c1cc(NN=C2COC2)cc(C(F)(F)F)c1 814949020 QLIQSNMTUQFSFM-UHFFFAOYSA-N 298.186 3.522 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C(=O)c1ccccc1)C(C)C 815310802 LKSJGCCJSDUCPQ-CQSZACIVSA-N 296.313 3.649 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1cc(C)sc1C 819814623 CSDFDCJAHAELSF-NSHDSACASA-N 273.405 3.835 30 20 CHED Cc1cc(N2CCC(c3ccc(F)cc3)CC2)c(C#N)cn1 819920434 IGJBWSBEERCPNR-UHFFFAOYSA-N 295.361 3.785 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc2n(n1)CCC2 822696733 BZQZLRMXMDPCEF-UHFFFAOYSA-N 291.439 3.652 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccccc1O[C@H](C)C#N 823700850 SRRVDOYBTGKUHL-GFCCVEGCSA-N 272.348 3.518 30 20 CHED CC(C)C#CC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 825189817 ACEDVNPBRMHYNX-LLVKDONJSA-N 298.213 3.700 30 20 CHED C=CC[C@@H]1CCCN(Cc2cccc(OCC)c2O)C1 826947671 ROMNOEOYDYIHOH-CQSZACIVSA-N 275.392 3.579 30 20 CHED Cc1ccc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s1 830043452 WGAXMQPCNNZCNV-FZMZJTMJSA-N 296.461 3.592 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(C)cs1 835038325 VWGIMGIPAWOXBG-AGIUHOORSA-N 276.405 3.844 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835158787 KXZRKKOMJGEANZ-VHSXEESVSA-N 285.265 3.811 30 20 CHED C=CCC(F)(F)C(=O)OCC1CCC(F)(F)CC1 837743952 FWZBJOSIQHSETC-UHFFFAOYSA-N 268.250 3.567 30 20 CHED C#CCC[C@H](C)OC(=O)c1cc2ccccc2nc1C 839039058 BLHIIDJXZRBYCM-LBPRGKRZSA-N 267.328 3.502 30 20 CHED C#CCC[C@H](C)OC(=O)C1CC(c2ccc(F)cc2)C1 839041356 UTZFJESLHXDJGS-GRTSSRMGSA-N 274.335 3.664 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)O[C@H]1CCC[C@@H](C#N)C1 839046926 SFNIOHUPEQIHJL-KGLIPLIRSA-N 296.370 3.644 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(F)c(Cl)c2)C1 839050348 AUCJYQVIAZIYQJ-MWLCHTKSSA-N 281.714 3.718 30 20 CHED CCC(CC)[C@H](C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839051513 DSJTVYPONZFNGV-SGMGOOAPSA-N 251.370 3.684 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(C2CC2)n1 839057689 NDHBTQNIECIVIP-OCCSQVGLSA-N 284.359 3.507 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1nc(Cl)c(C#N)s1 841222907 CCIZNWLHBJHOAG-LBPRGKRZSA-N 285.800 3.823 30 20 CHED CCC(=NNc1nc(-c2ccccc2)no1)[C@H]1C[C@@H]1C 841625290 SDPPLLQIJJINRG-JQWIXIFHSA-N 270.336 3.571 30 20 CHED CCC(=NNc1ccc(Br)nc1)[C@H]1C[C@H]1C 841626744 SOJABZHXLRHJAF-SCZZXKLOSA-N 282.185 3.678 30 20 CHED COCCN(C)N=C1CC[C@H](c2cccc(Cl)c2)C1 841637959 YLEUSRVEQJMOJY-ZDUSSCGKSA-N 280.799 3.542 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc(C2CC2)cs1)C1CCC1 842942290 ISDNTMANCYCSMK-SKDRFNHKSA-N 274.389 3.633 30 20 CHED Cc1c(NN=C2CC[C@H]2C(C)C)cccc1C(=O)O 844623679 QCRHOPUXMUYNLZ-NSHDSACASA-N 260.337 3.527 30 20 CHED C=C[C@@H](OC(=O)c1cnc2n1[C@@H](C)CCC2)C(C)(C)C 845554026 CWXBIIZSFQHNPK-WCQYABFASA-N 276.380 3.538 30 20 CHED Cc1cc(NCCC[C@H]2CC2(Cl)Cl)cc(C#N)n1 845746005 HMHSSKZGVBGEGJ-JTQLQIEISA-N 284.190 3.648 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)CCCc1c(F)cccc1F 847678765 ISNMPQSBNNYJCO-CQSZACIVSA-N 295.329 3.769 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ccc(CC(=O)O)cc1 848415026 VKWRKANMWNJZEA-CZUORRHYSA-N 286.375 3.704 30 20 CHED N#C[C@@H](c1ccccc1)n1ccnc1[C@@H](O)C1CCCCC1 849951349 MNFVUJPPZWFIQH-IRXDYDNUSA-N 295.386 3.610 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1cccc2cccnc12 851207235 AVFRDIKHTQDTQM-ZDUSSCGKSA-N 296.370 3.649 30 20 CHED Cc1scc(C(=O)O[C@@H](C)CC(C)(C)C#N)c1C 851208412 UOAAYEXZPCCWQZ-VIFPVBQESA-N 265.378 3.850 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1ccccc1OC 853783985 SWSZBABMLUXVGG-JTQLQIEISA-N 285.796 3.508 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](O)c1cccc2ccccc12 855482646 WYABNUKKAHZYSX-KRWDZBQOSA-N 297.398 3.592 30 20 CHED CC1CC(C#N)(C(=O)NCCCCCCc2ccccc2)C1 862625077 JZUXPVBURXXYKY-UHFFFAOYSA-N 298.430 3.846 30 20 CHED CC(C)[C@H]1CCCC1=NNCC(F)(F)C(F)(F)F 863181142 JDHCIIMAKSBHNV-MRVPVSSYSA-N 272.261 3.586 30 20 CHED C=CC[C@@H](Cc1ccccc1)n1cc(C(=O)CCC)nn1 864630845 NGMASTFYPNXSQU-HNNXBMFYSA-N 283.375 3.621 30 20 CHED C=CCCN(C)C(=O)CC(C)(C)c1ccc(F)cc1 867685036 ZERKTWZYOAPZLS-UHFFFAOYSA-N 263.356 3.528 30 20 CHED CC/C(C)=C(\C)C(=O)N(CC#N)c1ccc(F)cc1C 875982933 ZRPDQVBKKIDDKL-ACCUITESSA-N 274.339 3.737 30 20 CHED CC(C)Oc1ccc(N[C@@H]2CCOC(C)(C)C2)cc1C#N 877178053 ZFAQLYMFGNBEKB-OAHLLOKOSA-N 288.391 3.715 30 20 CHED C#CCCCCCCNc1cnn(C2CCOCC2)c1C 877557894 YTEJFZSMRZGUBR-UHFFFAOYSA-N 289.423 3.539 30 20 CHED C=C1CCC(C(=O)Nc2cccc(-c3nnc(C)o3)c2)CC1 889234124 BXKRRKMDBKMATN-UHFFFAOYSA-N 297.358 3.730 30 20 CHED C=C1CCC(C(=O)N(C)c2cccc3cccnc23)CC1 890380889 FWKOHXMIHUFLKU-UHFFFAOYSA-N 280.371 3.944 30 20 CHED Cc1nsc(N(C)C(=O)[C@@H](C)CCC(C)(C)C)c1C#N 891430146 OPUDNUZLFSSRAR-JTQLQIEISA-N 293.436 3.748 30 20 CHED C=CCC1(C(=O)N(CC(F)F)C2CCC2)CCCC1 895139622 HGGLTYLNOJCBQB-UHFFFAOYSA-N 271.351 3.769 30 20 CHED C#CCCCCCCNc1cccc([S@](C)(=O)=NC)c1 895731524 IONKIGNBVYYZLE-FQEVSTJZSA-N 292.448 3.769 30 20 CHED C=CC(C)(C)Cc1nc([C@H]2CCC(F)(F)C2)no1 896279184 ROLPZOHFXCKIJU-VIFPVBQESA-N 256.296 3.727 30 20 CHED C=C1CC(c2noc(-c3cccc(CN4CCCC4)c3)n2)C1 896881885 PHPRAYIREBVCPK-UHFFFAOYSA-N 295.386 3.766 30 20 CHED C[C@]1(C(=O)N(O)Cc2cccc3ccccc23)CC1(F)F 901370570 ACRHKLZQPJZUEH-OAHLLOKOSA-N 291.297 3.603 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(O)Cc1ccc(F)cc1 901372568 HOEFDOLYNKSTNJ-GXTWGEPZSA-N 279.355 3.616 30 20 CHED CC[C@H](NCC1(C#N)CCC1)c1cc(C)ccc1OC 903033298 SLOSDRMLFSYBQI-HNNXBMFYSA-N 272.392 3.738 30 20 CHED C[C@@H](N[C@H](c1ccccn1)C1CC1)c1cccc(C#N)c1 903336145 WUMBNGPETZPPDA-ACJLOTCBSA-N 277.371 3.755 30 20 CHED CCCn1nc(C)c(-c2ccc(C)cc2C#N)c1C 906165037 PQIFPLRQUHMWHG-UHFFFAOYSA-N 253.349 3.757 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(Cl)c(C(=O)O)c1 907583077 YUCLKALAUQBINI-SECBINFHSA-N 281.739 3.579 30 20 CHED C=C1CCC(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CC1 908683800 PGRPPOKCFASDPP-UHFFFAOYSA-N 293.750 3.723 30 20 CHED CCc1ccccc1NN=C(C)c1cc(F)ccc1O 915051644 LEPXEFBSEWLNSN-UHFFFAOYSA-N 272.323 3.930 30 20 CHED Cc1cccc(C=NNCc2cccc3cccnc23)c1 915959052 GBZAEDONZGJNGL-UHFFFAOYSA-N 275.355 3.667 30 20 CHED CC(CCc1ccco1)=NNc1nc2ccccc2n1C 915971424 UQABJAMHSHOTRP-UHFFFAOYSA-N 282.347 3.587 30 20 CHED Fc1ccccc1C=NNCc1ccc(C(F)(F)F)cc1 915972615 QMKQVTPRKGEAGW-UHFFFAOYSA-N 296.267 3.968 30 20 CHED CCCOc1ccc(C/N=C\c2c(O)cccc2OC)cc1 915982767 BRCILUZSYGHWQB-UYRXBGFRSA-N 299.370 3.809 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2ccc(CC(=O)O)cc2)c1 915988441 WMMKTMGSIKIWDJ-MDZDMXLPSA-N 294.350 3.827 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1cc2ccccc2o1 916241962 QRCGQRGAKJPKTI-UHFFFAOYSA-N 280.331 3.676 30 20 CHED O=C(NO)c1ccc(CSc2ccc(Cl)cc2)cc1 916665900 FJPAOIMPOGVLMA-UHFFFAOYSA-N 293.775 3.751 30 20 CHED C#CCN(Cc1ccc(Cl)c(Cl)c1)C(C)C 917069147 MVROKVXZLLAOMC-UHFFFAOYSA-N 256.176 3.837 30 20 CHED CC(=NNc1ncccc1Cl)c1cccs1 917549531 RNRRDDROGMOXCV-UHFFFAOYSA-N 251.742 3.633 30 20 CHED CCCCCCCCCN(C)CC(=O)N1CCCCC1 918741352 HSTQIOBWZMVLKL-UHFFFAOYSA-N 282.472 3.681 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1cc(C)on1 920235046 DOGHVKGANLIRQB-UHFFFAOYSA-N 295.427 3.875 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc([C@H]2C[C@H]2C)o1 924716804 QTZZPICJOXAEAR-BZPMIXESSA-N 260.381 3.821 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](Cn1cccn1)c1ccccc1 925126520 BKGWBMVZHAVJAR-DOTOQJQBSA-N 296.418 3.542 30 20 CHED C[C@H](CC(C)(C)C#N)NCC[C@]1(C)CC1(Cl)Cl 926532182 SDJWKKLLDHGGKD-ZYHUDNBSSA-N 277.239 3.878 30 20 CHED C=C1CN(C(=O)Nc2cccc(OCCC(C)C)c2)C1 929955732 PQNHWBAHRYCLHU-UHFFFAOYSA-N 274.364 3.515 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2ccc(C3CCC3)cc2)C1 931111556 FAMBTDAWQXGLHQ-CYBMUJFWSA-N 283.375 3.722 30 20 CHED N#C[C@H]1CCCN([C@@H]2CCc3c(Cl)cccc32)C1 932153141 VYXHJYRVBSFKBV-IAQYHMDHSA-N 260.768 3.563 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)c(N(C)C)c1)C1CC1 932740188 KOWDIZZKAHWOEA-UHFFFAOYSA-N 293.798 3.588 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C#N)ccc1C 933341048 BUBJLJWULNHHCU-UHFFFAOYSA-N 270.376 3.685 30 20 CHED N#CCC[C@@H](NC(=O)CC(C1CC1)C1CC1)c1ccccc1 1116347042 VZXNNDCJFXKTFN-GOSISDBHSA-N 296.414 3.974 30 20 CHED N#CCc1cccc(-c2nnc(CC3CCCC3)o2)c1 1117258523 BOSWQDLGTIYEGW-UHFFFAOYSA-N 267.332 3.535 30 20 CHED CC(C)C#CC(=O)Nc1nc2ccccc2n1C1CCCC1 1118627179 VMYSUHZHOUZACJ-UHFFFAOYSA-N 295.386 3.749 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@H](C)SC)c1cccs1 1123011163 WJRHEMFWFURDBD-UMNHJUIQSA-N 283.418 3.634 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1cccc(C(C)(C)C)c1 1123232884 DHBPTMRUNOTFCZ-OAHLLOKOSA-N 295.386 3.691 30 20 CHED Cc1c(F)cccc1C(=O)N[C@H](CCC#N)c1ccccc1 1127296159 DAEFMGKUICVXKW-QGZVFWFLSA-N 296.345 3.909 30 20 CHED COc1c(Oc2ccnc(C#N)c2)ccc2ccccc12 1163327586 XAAWLBURSFUXMB-UHFFFAOYSA-N 276.295 3.907 30 20 CHED Cc1ccc(C2(CNc3ccc(C#N)cn3)CC2)c(C)c1 1163397790 QVDWIOAJLKDUIJ-UHFFFAOYSA-N 277.371 3.714 30 20 CHED N#Cc1ccsc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 1207288122 YRUZINOWRKCGTH-DMDPSCGWSA-N 289.404 3.710 30 20 CHED CC(C)c1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)no1 1266018526 ARMLDOGMBIKXGD-LLVKDONJSA-N 284.315 3.588 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(CC)CC1CCC1 1301013874 RYNHQEYPWCJNNM-UHFFFAOYSA-N 296.846 3.780 30 20 CHED C#Cc1cccc(N(CC)Cc2nc(C)sc2C)c1 1319638156 DEESRMQFSYNOIY-UHFFFAOYSA-N 270.401 3.768 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2ccc(OCC#N)cc2)C1(C)C 1320388923 YVWACEFKWCUOLR-HZPDHXFCSA-N 288.391 3.593 30 20 CHED C=CCCCCNC(=O)NCc1cccc(C(F)F)c1 1320629143 SEPPWTONAWDXDC-UHFFFAOYSA-N 282.334 3.780 30 20 CHED N#CCc1cccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 1321329332 VAPJPMROQAZLHG-NEPJUHHUSA-N 297.324 3.928 30 20 CHED C=C(C)CCc1noc(-c2cnn(C3CCCC3)c2C)n1 1323532559 KWBWPXSFCSTAGY-UHFFFAOYSA-N 286.379 3.865 30 20 CHED C[C@@H](c1ccco1)N(C(=O)c1csc(C#N)c1)C1CC1 1326418549 UCLXQAFNKUMGJU-JTQLQIEISA-N 286.356 3.579 30 20 CHED C=CC[C@@H](C(=O)OCC[C@@H](C)C(C)=O)c1ccccc1 1327967720 RVZSYCDWVRGOPL-CZUORRHYSA-N 274.360 3.505 30 20 CHED N#CC[C@@H](Cc1nnc([C@@H]2CCCCO2)o1)c1ccccc1 1329108990 SBJZFMLJIANGHS-GJZGRUSLSA-N 297.358 3.551 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1ccc(N(C)C)cc1 1329869530 YRDFQPNLYWPEOK-LBPRGKRZSA-N 285.416 3.537 30 20 CHED CN(C)c1cccc(Cl)c1CNCc1ccc(C#N)cc1 1334806846 CHGBMSVGLQWTOI-UHFFFAOYSA-N 299.805 3.567 30 20 CHED Cc1nn(C(C)C)c(C)c1CNc1cccc(OCC#N)c1 1336751409 QQGSXWOJTYAYNJ-UHFFFAOYSA-N 298.390 3.595 30 20 CHED CCC[C@@H](C(=O)N(C)[C@@H](C)CC#N)c1ccc(Cl)cc1 1337807496 GLFHDYSTHWCJJR-SWLSCSKDSA-N 292.810 3.984 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(NC(=O)CC)ccc1C 1345063393 DUXYCWPICSPARJ-ZDUSSCGKSA-N 288.391 3.884 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cc3ccc(F)cc3s2)C1 1347136826 KMQQVIIDBOTGSN-SKDRFNHKSA-N 289.331 3.889 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C)cnc1Br 1355036813 UZNURUIXOLDGIE-CYBMUJFWSA-N 297.196 3.693 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cccc(C3CCC3)c2)C1 1357651789 VIQSCVGYMWPUOO-LRDDRELGSA-N 269.344 3.803 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 1357812555 STQMOXSBEFVMHP-WBVHZDCISA-N 291.366 3.518 30 20 CHED Cc1oc2ccc(NC(=O)c3cc(C#N)ccn3)cc2c1C 1523694278 YPWBGXGJHNZXSN-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C#Cc1ccc(COC(=O)CCCCCCC(C)=O)cc1 1525468076 DYCNSJVGGBVRTM-UHFFFAOYSA-N 286.371 3.641 30 20 CHED N#Cc1ccc(CCNC(=O)CCCC2CCCCC2)cc1 1528529129 ZAEMGFWEWWVXDO-UHFFFAOYSA-N 298.430 3.968 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C#N)cc2F)C1 1529107592 QYHRKXJFGCSORL-SGMGOOAPSA-N 288.366 3.642 30 20 CHED CCOC(=O)Nc1ccc(Nc2cc(C)c(C#N)cn2)cc1 1559070862 VLKYRMPKCQGHFZ-UHFFFAOYSA-N 296.330 3.574 30 20 CHED C[C@H](COc1ccccc1)Nc1nc(C#N)c(Cl)s1 1559089792 YQGATOVADRNJQK-SECBINFHSA-N 293.779 3.548 30 20 CHED CCCCN1CCc2ccc(Nc3ccc(C#N)cn3)cc21 1559139195 OUZIYVDTAHNHAC-UHFFFAOYSA-N 292.386 3.859 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 1583670913 JSLNOXYZKDVMCH-JKSUJKDBSA-N 284.403 3.811 30 20 CHED CC(C)[C@H]1/C(=C\c2ccc(C(=O)O)[nH]2)C(=O)c2ccccc21 1591068294 YGCZFWVDFLRWDQ-SCZPIIQISA-N 295.338 3.732 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3occc3s2)c1 1597281437 SLJAEVWICCJCOA-UHFFFAOYSA-N 282.324 3.927 30 20 CHED C=CCCCS[C@H](C)c1cccc(-c2nn[nH]n2)c1 1609055405 ZEJBTDLQUDMKLX-LLVKDONJSA-N 274.393 3.627 30 20 CHED N#Cc1c(F)cc(C(=O)NC2CCCCCCC2)cc1F 1628369377 WXPIIEMVQZGIGK-UHFFFAOYSA-N 292.329 3.679 30 20 CHED CC(C)[C@@H]1CCCN(CCc2ccc(C#N)cc2)CC1 1641799090 FCYZZAMOHWJIEH-GOSISDBHSA-N 270.420 3.859 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 1648807478 CWCJNMKQAYZPAP-UHFFFAOYSA-N 297.264 3.570 30 20 CHED CCC1(CC)[C@H](Nc2cccc(F)c2C#N)[C@@H](C)[C@H]1OC 1650927988 SHXPKMATVCUTNG-HFBAOOFYSA-N 290.382 3.949 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)C1(c2ccccc2)CCCC1 1651759275 ZKMRMQKGDLCBMB-HNNXBMFYSA-N 291.398 3.688 30 20 CHED CCc1cccc(N(C)CCc2ccc(C#N)cc2)c1 1654657433 ZFIXZMCFXKLKFY-UHFFFAOYSA-N 264.372 3.800 30 20 CHED C[C@H]1CCC[C@H](CN(C)Cc2ccc(C#N)cc2)C1 1657421411 YSKDZSRNJJOBMJ-YOEHRIQHSA-N 256.393 3.816 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2ccc(C(=O)O)cc2)C1 1776012669 JSKLRKRMTGNBKT-STQMWFEESA-N 274.364 3.999 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)c1 5128900 BYXAXWGGKIIRQX-DHZHZOJOSA-N 295.338 3.550 30 20 CHED Cn1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cn1 14176132 SFGVYUWJFUTAER-GORDUTHDSA-N 281.142 3.623 30 20 CHED N#Cc1ccsc1NC(=O)CCc1ccccc1Cl 21362320 STFHSEDPZSLVKQ-UHFFFAOYSA-N 290.775 3.844 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(Br)cc1 42224814 AMRQXVOPCKISJH-LLVKDONJSA-N 281.197 3.794 30 20 CHED Cc1[nH]c2ccccc2c1C1CCN(CCCC#N)CC1 52464783 DNHIPAASUHQGFK-UHFFFAOYSA-N 281.403 3.960 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(F)c1 55891236 ODHLBNCQPGGEMF-UHFFFAOYSA-N 299.345 3.663 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)CCC1CCCC1 56475759 BZCKTOOQSKYZOU-UHFFFAOYSA-N 286.375 3.866 30 20 CHED CN(C(=O)c1cc2c(s1)CCCC2)c1ccc(C#N)cc1 61954889 KTVPSMVXLBCMAU-UHFFFAOYSA-N 296.395 3.775 30 20 CHED C=CCN(CC=C)Cc1coc(-c2cccs2)n1 72103223 ZERNFBQNMBVOLH-UHFFFAOYSA-N 260.362 3.577 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1SCCc2ccccc21 73850351 GWXSOEZBSJEDGW-MRXNPFEDSA-N 294.379 3.527 30 20 CHED CC(C)C[C@H]1CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 74918385 PMFRTXGTTVHBAN-GDBMZVCRSA-N 299.418 3.697 30 20 CHED CCN(Cc1cccc(Cl)c1)C(=O)C1(C#N)CCCC1 75434300 YHAADHFEEWJCDQ-UHFFFAOYSA-N 290.794 3.772 30 20 CHED C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccn1 78832856 OBMFRFKNLUCEMI-SECBINFHSA-N 292.264 3.540 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC(C1CC1)C1CC1 79088039 CHXSTRUHKVYPGL-UHFFFAOYSA-N 284.403 3.573 30 20 CHED Cc1nc(-c2cccc(C(=O)O[C@H](C#N)C3CC3)c2)cs1 80414205 LFTQQTKHMGTWJZ-OAHLLOKOSA-N 298.367 3.578 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CC=CCC2)n1 80459094 PQWXQKZULIVZCK-NEPJUHHUSA-N 274.389 3.799 30 20 CHED N#Cc1ccc(CNc2ccc3ccc(F)cc3n2)cc1 81019162 SSBIKPBRGGZIHK-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CCN(CCC#N)CCSc1ccc(Cl)cc1 81040342 QAXVBDASNXZBJB-UHFFFAOYSA-N 268.813 3.668 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1cccc(CC(F)(F)F)c1 86301329 AWYTXXCYESWIMQ-SNVBAGLBSA-N 299.296 3.557 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(C(C)C)c(O)cc1C 88466903 LKIXBIPSIXYYHF-ZDUSSCGKSA-N 291.391 3.744 30 20 CHED CCCCOc1cc(CN(CC#N)CCC)ccc1OC 92398268 VMTGDHPTVCBWKM-UHFFFAOYSA-N 290.407 3.610 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2C2CCC2)cc1 92780933 KTCHNMRKRIKROV-KBXCAEBGSA-N 284.403 3.742 30 20 CHED CSc1ccc(C(=O)/C=C\c2c(C)n[nH]c2C)cc1 97152238 BKEXAOLZOAGPLM-HJWRWDBZSA-N 272.373 3.645 30 20 CHED C=CCCC(=O)Nc1cccc(OCc2cscn2)c1 102259229 UJIXHLVBQSXVCU-UHFFFAOYSA-N 288.372 3.627 30 20 CHED C=CC1CCN(C(=O)c2cc3ccccc3cc2O)CC1 110368629 SMPCEPWGFNTMSC-UHFFFAOYSA-N 281.355 3.584 30 20 CHED C=CC[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 116857926 JMEDGHDBPZGLTB-AWEZNQCLSA-N 298.386 3.663 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(F)cc1F 120110430 JTMYEDWERWEQNA-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C#CCCCCC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 120217553 PBQDBPFDWLEOHC-GOSISDBHSA-N 285.431 3.968 30 20 CHED CN(Cc1ccncc1)c1cc(C#N)ccc1C(F)(F)F 121147276 JQWIHHUSDYZQTO-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1cc(C)ccc1OC 121403473 NBEJDXBSXYFVAX-CQSZACIVSA-N 287.403 3.949 30 20 CHED Cc1cc(C)nc(NCc2ccc(O[C@H](C)C#N)cc2)c1 122340656 XNNJDMTVUDJBEC-CQSZACIVSA-N 281.359 3.601 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)N[C@H](C#N)CC 123699430 NMTJHQOXTXMAHF-DZGCQCFKSA-N 252.402 3.791 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)N(CCC#N)CC1CC1 125135912 PQYKICLYVJRUIJ-OAHLLOKOSA-N 276.424 3.745 30 20 CHED CC[C@@](C)(C#N)C(=O)NC1CC(C)(C)CC(C)(C)C1 125655402 LHMQXVCPGMSPFO-INIZCTEOSA-N 264.413 3.647 30 20 CHED N#Cc1cc(NCc2ccoc2)ccc1C(F)(F)F 127354479 NJCOCEUQADATHR-UHFFFAOYSA-N 266.222 3.782 30 20 CHED CCOCc1cccc(NCc2ccc(C#N)s2)c1 128922286 YDJXLBFOUQMGNC-UHFFFAOYSA-N 272.373 3.768 30 20 CHED CCCCCCCCN1CCC(OC[C@H]2CCOC2)CC1 131762991 LLIPOYVNCWGHSV-KRWDZBQOSA-N 297.483 3.864 30 20 CHED C=C[C@H](CC(=O)[C@@H](C#N)c1nc(C)cs1)c1ccccc1 136092093 HBBQGZGGIVFWFY-UKRRQHHQSA-N 296.395 3.988 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1cc(O)cc(O)c1 152679369 UIGSZYGOGRZKCM-GQCTYLIASA-N 291.306 3.542 30 20 CHED CC(C)(C#N)CCCNc1ccc(Cl)c(C#N)c1 152733702 CMKOBOJFFJEEJR-UHFFFAOYSA-N 261.756 3.954 30 20 CHED C=CCOc1ccccc1CNC(=O)c1cccc(C)c1F 154610847 GNNIWBAAJBCYJD-UHFFFAOYSA-N 299.345 3.629 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 154715775 FPRNMGJNNWGZBR-QGZVFWFLSA-N 287.428 3.860 30 20 CHED C=C(C)CNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 156853187 JFALSHLCPWMKEH-UHFFFAOYSA-N 285.347 3.656 30 20 CHED C=CCC[C@@H](CCC)NC[C@@](C)(O)c1cccs1 157032156 ZLQCGKQAXLJSDK-UKRRQHHQSA-N 267.438 3.680 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2cccc(OC)c2)cc1 158641490 IGZRRVKBQGQSGD-OAHLLOKOSA-N 295.382 3.558 30 20 CHED COc1cc(C#N)ccc1CSCc1nc(C)cs1 159570210 MUCWEHMRWDVENB-UHFFFAOYSA-N 290.413 3.765 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 160940910 GNPXLEGWLXUKSF-QWRGUYRKSA-N 284.186 3.789 30 20 CHED COCCc1ccc(OCc2ccc(C#N)cc2C)cc1 165553562 PBDRWNJHFFMBEC-UHFFFAOYSA-N 281.355 3.635 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 169584237 RJUKSXHUAWJFCZ-WAYWQWQTSA-N 273.313 3.861 30 20 CHED C=CCCCC(=O)NCC(C)(C)c1ccccc1F 175501551 NLBYNSDMHYSDFJ-UHFFFAOYSA-N 263.356 3.576 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1ccc(F)cc1 176337253 MQFORRBUNZPBGC-UHFFFAOYSA-N 277.343 3.619 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(C#N)c2)o1 176680478 RQBNINNBNOURPV-SOFGYWHQSA-N 251.285 3.610 30 20 CHED CCS[C@@H]1CCC[C@@H](NCC(C)(C)CCC#N)C1 176982995 HRWNAGPJTIYJEK-ZIAGYGMSSA-N 268.470 3.970 30 20 CHED N#Cc1cc(F)ccc1NC(=O)/C=C/Sc1ccccc1 177580343 AQWCCKJBYZXICQ-CMDGGOBGSA-N 298.342 3.942 30 20 CHED C=C[C@@H](CC)OC(=O)Cc1c[nH]c2cccc(C)c12 181231347 YGWFDDJHCOHUDI-ZDUSSCGKSA-N 257.333 3.527 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ccccc1F 181386576 PESTTYLMQAUOLZ-ZDUSSCGKSA-N 278.371 3.712 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)/C=C/c1ccccc1 182025548 MXHRGCMSFCIXEB-GCZGRYASSA-N 292.338 3.629 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ccccc1C 182583395 BXXFBALREJZDPR-OAHLLOKOSA-N 259.393 3.789 30 20 CHED COCCOc1cc(C)ccc1N[C@H]1CCC[C@H](C#N)C1 185722500 XQCCMFINUZDYAC-GJZGRUSLSA-N 288.391 3.515 30 20 CHED C=CCC1(C(=O)Oc2ccc(NC(=O)C3CC3)cc2)CCC1 188866368 VAEIWVVLQGMGTL-UHFFFAOYSA-N 299.370 3.687 30 20 CHED C[C@H](C#N)CSc1ccccc1NCC[C@@H]1CCCO1 189645770 MIEIJFVQJVHHHO-KGLIPLIRSA-N 290.432 3.919 30 20 CHED CC(C)(C#N)CCCOc1ccc([C@H]2CCOC2)cc1 190284176 MDNCLPJRQPKDMS-HNNXBMFYSA-N 273.376 3.899 30 20 CHED C=CCC1(C(=O)Nc2ccccc2O[C@@H](C)C#N)CCC1 191945147 OJHQJLQJEMGOQF-ZDUSSCGKSA-N 284.359 3.662 30 20 CHED C=CCCCCCN1CCC[C@H](c2nnc3ccccn23)C1 193353504 KOBOXQNWOKCXPE-INIZCTEOSA-N 298.434 3.655 30 20 CHED C#CCCCCC(=O)Oc1cc(F)ccc1Cl 194298686 UDOSZJXKJXAKSS-UHFFFAOYSA-N 254.688 3.578 30 20 CHED Cc1c(Cl)cc(NC(=O)C(C)(C)C#N)cc1Cl 195053319 DZQAHPNHVQHTKJ-UHFFFAOYSA-N 271.147 3.790 30 20 CHED CC1(C)OB(C#Cc2ccc(C(F)(F)F)cc2)OC1(C)C 207306055 VMCIEKAMAPTLIT-UHFFFAOYSA-N 296.097 3.688 30 20 CHED Cc1cccc(NC(=O)/C=C\c2ccccc2C#N)c1 215719873 MHELYFUYYMFRRC-KTKRTIGZSA-N 262.312 3.519 30 20 CHED CSCCCCCCNc1nc(C)cc(C)c1C#N 230097588 SADNPWSPVZSRIQ-UHFFFAOYSA-N 277.437 3.905 30 20 CHED C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCOCC1 230217643 WLCMONLBRDGEPQ-SNVBAGLBSA-N 298.308 3.804 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2ccc(Cl)s2)n1 231898347 GEMSIPOLJWCQCQ-MRVPVSSYSA-N 278.768 3.545 30 20 CHED Cc1csc([C@H](C)Nc2nccc(C#N)c2Cl)n1 235539140 CPVCIIGXTXIRDF-QMMMGPOBSA-N 278.768 3.545 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)OC(C)(C)C 238390498 ASCOXACIOWNUAT-UHFFFAOYSA-N 277.364 3.618 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCCOc3c(F)cccc32)C1 248876687 RCRSTSIKEGTWNP-IOASZLSFSA-N 288.366 3.711 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCOc3c(F)cccc32)C1 248876690 RCRSTSIKEGTWNP-XJKCOSOUSA-N 288.366 3.711 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@H]2C)cc1 249706831 BENZZHVNDAOXPH-GVAFMPQTSA-N 298.386 3.503 30 20 CHED Cc1csc(CON=Cc2ccccc2OC(C)C)n1 254956395 RZILYZMGSGAXCG-UHFFFAOYSA-N 290.388 3.789 30 20 CHED COCCOc1ccccc1/C=C\C(=O)c1occc1C 255233530 NKUAODXUJDQGLZ-FPLPWBNLSA-N 286.327 3.509 30 20 CHED Cc1cccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)c1 255294156 GQEZBSCFNFKKOA-WAYWQWQTSA-N 274.266 3.875 30 20 CHED Cc1cc(C)cc(N/C(N)=N\[C@@H]2c3ccccc3O[C@H]2C)c1 262273876 JBJSHSSIXUTHQA-GUYCJALGSA-N 295.386 3.552 30 20 CHED CN(Cc1cccc(Cl)c1Cl)C(=O)C1(C#N)CCC1 265451833 CZSGIYVVZHVTHK-UHFFFAOYSA-N 297.185 3.646 30 20 CHED Cc1cc(C)nc(N[C@@H](CCC#N)c2ccccc2)n1 269591798 CQJVPGRMQLBJFA-HNNXBMFYSA-N 266.348 3.550 30 20 CHED CCS[C@@H](C)c1noc(-c2cccc(CC#N)c2)n1 273990834 QEGJFXDLGYOOQS-JTQLQIEISA-N 273.361 3.617 30 20 CHED CCN(Cc1cncc(F)c1)[C@H](C)c1ccc(C#N)cc1 274377985 RUPKMFMZCFHLRD-CYBMUJFWSA-N 283.350 3.675 30 20 CHED C=CCC1(C(=O)Nc2cc3cn[nH]c3cc2C)CCC1 276669909 GRYQIZZHAQYTFP-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C=C1CCN(C(=O)c2c(-c3ccccc3C)noc2C)CC1 280575291 RPHCWQOXQCHWPS-UHFFFAOYSA-N 296.370 3.751 30 20 CHED C=CCCCCCNC(C)(C)c1c(C)noc1C 285820494 WIZIDCQOYGTGFQ-UHFFFAOYSA-N 250.386 3.863 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2occ(C)c2c1 286191174 VNGVMMKGZQJUEF-OAHLLOKOSA-N 256.305 3.620 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CCC1(C)C)c1ccccc1 286688108 KSGRGZJZSOUNAQ-UKRRQHHQSA-N 257.377 3.651 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cccc(NC(=O)OC)c1 287315701 FFNPCHZDJXLSNU-QWHCGFSZSA-N 276.380 3.555 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(NC(C)(C)C)cn2)no1 289514499 BWAKCTYGEIVGPP-INIZCTEOSA-N 299.378 3.533 30 20 CHED Cc1nc(N2CC(C)(C)[C@H]2c2cccs2)ccc1C#N 291912266 KZXXTIXGMUFCRY-OAHLLOKOSA-N 283.400 3.911 30 20 CHED N#Cc1ccc([C@H](O)CN[C@@H]2CCCCC23CCCC3)cc1 291994505 XANAPEISJCPFOX-QZTJIDSGSA-N 298.430 3.684 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2c(s1)CCCC2(C)C 292002237 VJEBODDZDLQRHE-OAHLLOKOSA-N 291.420 3.635 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)c1cccc(Br)c1 293349141 PECWBHSVFBBTLC-NSHDSACASA-N 296.208 3.587 30 20 CHED N#CCc1cccc(-c2nc(CC3CCCC3)no2)c1 293471497 ZWZJGPPEBXQQDH-UHFFFAOYSA-N 267.332 3.535 30 20 CHED N#Cc1c(Cl)cccc1NC1CCN(C2CCC2)CC1 296149766 XUSJYVWZVRIEJG-UHFFFAOYSA-N 289.810 3.640 30 20 CHED CC(C)[C@H](Cc1ccccc1)N[C@H]1CC[C@@H](CC#N)C1 296621412 WYFVPLOLJDBKKY-BZSNNMDCSA-N 270.420 3.926 30 20 CHED CCOc1cc(Nc2cccc(F)c2C#N)ccc1OC 301151075 OSJRRQKLJVKELX-UHFFFAOYSA-N 286.306 3.848 30 20 CHED Cc1cccc(CCNc2ccc(Cl)c(C#N)n2)c1 301190387 YMBGITBKJPIBJL-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CCOCCCNc1c(C#N)cnc2ccc(Cl)cc12 301345008 JXCFMLIBUSEPOD-UHFFFAOYSA-N 289.766 3.598 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)c1cc2ccccc2o1 301592074 QWGBKDDJBRBWHN-LLVKDONJSA-N 263.300 3.873 30 20 CHED CC(=O)c1ccc(Sc2cccc(C#N)c2)c([N+](=O)[O-])c1 301639316 MQSAJQUBBSEFHK-UHFFFAOYSA-N 298.323 3.820 30 20 CHED C[C@H](CCNc1nccc(C#N)c1[N+](=O)[O-])CC(C)(C)C 302623553 FCCFXDBIVNHLPE-LLVKDONJSA-N 290.367 3.736 30 20 CHED Cc1ccc(N/C(N)=N\C[C@H]2CCC[C@@H](C)C2)cc1 303906199 ZUEQVJSIWKXYTR-KGLIPLIRSA-N 259.397 3.548 30 20 CHED C[C@@H](N[C@H](CCCO)c1ccccc1)c1cccc(C#N)c1 305756607 ALWDMRNGPUASCT-DNVCBOLYSA-N 294.398 3.723 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1 306504242 YOCQRWGTQYUEDL-GOSISDBHSA-N 292.382 3.765 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(C)c1cccc(C#N)c1 308092112 SWZCSJIYRGMPNZ-HNNXBMFYSA-N 272.392 3.983 30 20 CHED CC1(C)CC[C@@H](/N=C(/O)Nc2scnc2C2CC2)C1 329072715 OIZXJBQFMZZMCD-SNVBAGLBSA-N 279.409 3.925 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2/N=C(/O)C[C@@H]1CCOC1 329794592 WATWQLUVNNQMSY-JSGCOSHPSA-N 291.391 3.985 30 20 CHED C[C@H](/N=C(/O)C[C@@H]1CCOC1)c1ccc2ncsc2c1 330138210 OGIMDYNMKMXHJV-QWRGUYRKSA-N 290.388 3.740 30 20 CHED Cc1nn(C)cc1[C@H](C)/N=C(/O)c1ccoc1C(C)C 331091080 VZEGELFEJXKIAX-JTQLQIEISA-N 275.352 3.511 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 332178551 RSJSONLVLFBOLY-IUODEOHRSA-N 297.402 3.597 30 20 CHED C[C@H]1CC=C(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 335076542 MEZUGALLMUQNLK-UONOGXRCSA-N 282.387 3.824 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(C#N)cc1 336217662 WUHINXPDGXNLHT-NVPAJSRCSA-N 267.376 3.681 30 20 CHED CC1(C)CC(C(=O)Nc2ccc(Cl)cc2CC#N)C1 336283553 YJLHLKLFNLRZNU-UHFFFAOYSA-N 276.767 3.781 30 20 CHED Cc1cccnc1CSc1ccc(C#N)cc1F 336512513 XUVLMFLBQRGOMU-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CCSCCCNc1c(Cl)cccc1C#N 336776194 FALAZHDKIUHFKG-UHFFFAOYSA-N 254.786 3.767 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2ccc(C#N)cc2)c1 338396320 LWDXGPRKFUSWLU-UHFFFAOYSA-N 279.343 3.531 30 20 CHED COc1ccccc1[C@H](C)Sc1cccc(C#N)n1 339215484 CGJLCPGOKJWBBO-NSHDSACASA-N 270.357 3.815 30 20 CHED COc1ccc(CN(C2CC2)[C@H](C)C(C)C)cc1C#N 340141577 ARHBLTNRVGAFKB-CYBMUJFWSA-N 272.392 3.576 30 20 CHED N#Cc1ccnc(SCc2cc(-c3cccs3)on2)c1 340974400 KPIWYRLUIUXZRZ-UHFFFAOYSA-N 299.380 3.962 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)[nH]2)n1 341170021 JOYDEEFMMPRFLS-ZYHUDNBSSA-N 270.336 3.620 30 20 CHED CC[C@H](C)CCC(=O)Nc1cc(C#N)cn1C(C)(C)C 341434545 ABLBQARPKZGPOE-LBPRGKRZSA-N 275.396 3.880 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCCc2cccc(C#N)c2)o1 341473469 VRGVPXWKFKQULK-GUYCJALGSA-N 280.371 3.607 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccccc1SCC 341886024 MHUYOVKWKQCBGN-UONOGXRCSA-N 279.449 3.634 30 20 CHED C[C@H](c1ccccc1)[S@](=O)Cc1ccc(CC#N)cc1 342254478 UIXODLUXXMZRSY-JLTOFOAXSA-N 283.396 3.763 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@@H](C)C1 345061044 SOPCOZSCJPBTGB-CHWSQXEVSA-N 263.406 3.699 30 20 CHED COc1ccc(C#N)cc1NCc1ncc(C(C)C)s1 346369814 ZDUOTOBKMTVRCW-UHFFFAOYSA-N 287.388 3.759 30 20 CHED CCN(CC#Cc1ccc(Cl)cc1)Cc1ccncc1 348082868 XRGGZVFRKNUDMX-UHFFFAOYSA-N 284.790 3.609 30 20 CHED C=C(CNC(=O)N[C@@H]1CCCc2occc21)c1ccccc1 351580991 KGSCZONPIGQCGG-MRXNPFEDSA-N 296.370 3.670 30 20 CHED N#CC[C@@H](O)CSc1ccc(-c2ccccc2)cc1 352161587 XVPQMDCKHZBMSL-OAHLLOKOSA-N 269.369 3.720 30 20 CHED C[C@H](c1cccs1)N(C)c1ncc(C#N)cc1Cl 358868279 GXXMIMLMJZDLGE-SECBINFHSA-N 277.780 3.866 30 20 CHED C=CCCCC(=O)Nc1ccc2oc(C(=O)OC)cc2c1 360009750 BGJBMGRMSCCGCO-UHFFFAOYSA-N 287.315 3.514 30 20 CHED C[C@H](NCc1ccc(Cl)cc1C#N)c1cncc(F)c1 360265034 GIOJPHMTFRGQCE-JTQLQIEISA-N 289.741 3.597 30 20 CHED C=CCSc1ccccc1C(=O)Nc1ccccn1 362390049 RIJPRYPKAXXLAC-UHFFFAOYSA-N 270.357 3.612 30 20 CHED C[C@@H]1CCCC[C@H]1CN1CCC(C#N)(c2ccccn2)CC1 370532811 FDGSNQQRNGQCQW-SJORKVTESA-N 297.446 3.765 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(OC)c(OC)c1 389225248 XQUJGEHQLAPOAX-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1F)CC(F)(F)F 396991958 GVWDADDSZNGMEY-MRVPVSSYSA-N 260.234 3.698 30 20 CHED C=CCCC[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 398088637 ORTRIHYXJOKWKW-LLVKDONJSA-N 259.309 3.623 30 20 CHED C=C(CC)CN(C)Cc1cc(Br)cs1 404152049 BJQQCYKNQXMWNN-UHFFFAOYSA-N 274.227 3.909 30 20 CHED COc1cc(C)ccc1[C@H](C)NCc1ccc(C#N)c(F)c1 404863934 YJHZWETXMPXIPV-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 408439854 WBOWEZSPKHRSGO-GXSJLCMTSA-N 277.755 3.522 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc2sccc2c1 410825046 FEZSSPQBRWPGQO-CYBMUJFWSA-N 272.373 3.666 30 20 CHED CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 412116917 HTXHBXRFRNIOTE-FHLIZLRMSA-N 296.414 3.700 30 20 CHED COCC[C@@H](C)CNc1ccc(C(F)(F)F)cc1C#N 413498887 XZIUQJCXCDPIMP-SNVBAGLBSA-N 286.297 3.662 30 20 CHED Cc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)c2ccccc12 413811463 BFJWFSCVSAPGKU-SFHVURJKSA-N 278.355 3.570 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(OC)cc(OC)c1Cl 413934520 SDMWIEQHOHXUJU-OAHLLOKOSA-N 297.782 3.898 30 20 CHED N#CC1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 419024096 QAEINCXMNLHTRS-UHFFFAOYSA-N 299.252 3.719 30 20 CHED CC(C)N(Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccsc1 421372790 MRDQBEVHZRZBBZ-ZDUSSCGKSA-N 287.432 3.930 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 424534011 DAWVSEARPFARGW-SWLSCSKDSA-N 256.349 3.517 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1C(C)(C)C1(C)C 425125426 GJPDRJUIFYGFGN-GFCCVEGCSA-N 284.403 3.760 30 20 CHED Cc1cc(N2CCC[C@@H]2c2ccc(C)s2)c(C#N)cn1 425226055 MESYTVOLXJKNDO-CQSZACIVSA-N 283.400 3.973 30 20 CHED C[C@H](CCC1CC1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425505930 ZNDOGZJWKBTYQG-ZIAGYGMSSA-N 299.418 3.839 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)c1ccccc1 425533416 KTKBFYJWZXTNLJ-OAHLLOKOSA-N 292.382 3.824 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](c1ccc(F)cc1)C(C)C 434621538 UKMZQMSPGIUCFS-IRXDYDNUSA-N 279.399 3.782 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CCC(C)C)CCC(C)C 436087436 YZTLDVRZOSMKCA-UHFFFAOYSA-N 290.407 3.994 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc(C#N)cs1 437553426 DYPBPGFKJDIHNV-WCQYABFASA-N 276.405 3.566 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(COCC)cc1 438856514 KQESMJOZXSDKSS-UHFFFAOYSA-N 276.380 3.653 30 20 CHED C[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CC(C)(C)C1 442894851 CJSGAYFZRXOMKB-UONOGXRCSA-N 256.393 3.987 30 20 CHED Cc1c(F)cccc1NCc1cn2ccccc2c1C#N 446633404 GULKOVNNXKFZKQ-UHFFFAOYSA-N 279.318 3.871 30 20 CHED CC1(C#N)CCC(NCCCOc2ccc(F)cc2)CC1 449103305 ANIGUFNDXUUKLM-UHFFFAOYSA-N 290.382 3.657 30 20 CHED C=CCCCC[C@H](C)N[C@H](COC)c1ccco1 449178776 UOZMSGXHJXMJQQ-UONOGXRCSA-N 251.370 3.692 30 20 CHED C=C(C)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 449470973 BVUDFMRXDHLMQT-LCYFTJDESA-N 260.337 3.554 30 20 CHED C[C@H]1CCN(CC2(C#N)CCC2)[C@@H]1c1cccc(F)c1 450456549 UBOUSAVJIWTOCC-BBRMVZONSA-N 272.367 3.902 30 20 CHED N#Cc1ccnc(N2CCCC[C@H]2c2ccc(Cl)cc2)n1 450828815 LEQYKEOWQMRBNQ-HNNXBMFYSA-N 298.777 3.733 30 20 CHED C=C(C)CCNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 452717401 KYQDFYSCZSVZHN-GFCCVEGCSA-N 299.336 3.966 30 20 CHED C=C(C)CCNC(=O)c1ccc(-c2ccsc2)nc1C 452719413 BXHZAHPPROVNOP-UHFFFAOYSA-N 286.400 3.815 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)Sc1ccccc1Cl 452722939 LQQQIMRDSSXGGJ-LLVKDONJSA-N 283.824 3.903 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 452777737 OTPWTIURGCCCEA-GHMZBOCLSA-N 277.330 3.684 30 20 CHED Cc1c(-c2noc([C@]3(C#N)C[C@@H]3C)n2)oc2ccccc12 453159479 DPCKCWZFKDRQLQ-FVMDXXJSSA-N 279.299 3.592 30 20 CHED C=CCC[C@H](NC(=O)NC1CC(C)(F)C1)c1ccccc1 454695972 QDZYNQHPPRHPHD-CKDBGZEDSA-N 290.382 3.884 30 20 CHED C=CCC1(CNC(=O)CC[C@@H]2CCCCO2)CCCC1 456480977 ACJHFDDDDLWCAF-HNNXBMFYSA-N 279.424 3.588 30 20 CHED C=CCC(C)(C)CNC(=O)N1c2ccccc2C[C@H]1C 458807105 FNHQHXRPBMZJEE-CYBMUJFWSA-N 272.392 3.750 30 20 CHED CC(C)(CC#N)CNCc1ccc(Br)s1 459700645 SQAIETVOZIMHQO-UHFFFAOYSA-N 287.226 3.540 30 20 CHED C[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 461762786 MZQCJWPIXQVUNH-CABCVRRESA-N 292.382 3.582 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 461793024 CBUAZZULNPOGLF-LLVKDONJSA-N 293.301 3.899 30 20 CHED CC#CCCN1C[C@@H](c2ccccc2Cl)OC[C@@H]1C 462323277 HLGSDTOWDFOKPW-BBRMVZONSA-N 277.795 3.515 30 20 CHED C=C[C@@H](C)NC(=O)NCC(CC)(CC)c1ccccc1 464755161 HEKCVOXZSUNMEM-CQSZACIVSA-N 274.408 3.618 30 20 CHED C=CCCN(C)C(=O)Nc1cc(Br)ccc1C 466363677 GHUYVGIZPZYONI-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OCC)c(F)c1 466405888 UMLYFKPNQROUJX-CYBMUJFWSA-N 251.345 3.669 30 20 CHED C=C(C)[C@H](CC(=O)NCc1cc(Cl)ccc1C)OCC 467006818 XLBYYNOWUUWTLP-HNNXBMFYSA-N 295.810 3.636 30 20 CHED C=CCCN(C)C(=O)N[C@H]1c2ccccc2CC[C@H]1C 467090203 JNIMYHHUCSRQSD-CZUORRHYSA-N 272.392 3.528 30 20 CHED C=CCCN(C)Cc1csc(-c2cccc(OC)c2)n1 467286754 ZKWZZENGHPBUBS-UHFFFAOYSA-N 288.416 3.827 30 20 CHED C=CCSCCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 468599429 IHOOHPICHIKCAF-JLHYYAGUSA-N 292.404 3.507 30 20 CHED C=CCCCCNC(=O)CCSc1ccc(C)cc1 471672138 YPTHGNFLEHPVMD-UHFFFAOYSA-N 277.433 3.950 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](C)c1cc(C)ccc1C 472576741 HWIKVSKODYFKHZ-CVEARBPZSA-N 261.409 3.623 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H](c2ccccc2)CC1 472678929 OMKLBHYNLGCELE-QZTJIDSGSA-N 273.420 3.583 30 20 CHED C=CCCCCNC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 474090833 UKXUTLUHHGDZSE-QLFBSQMISA-N 264.413 3.705 30 20 CHED C=CCOCCCSCc1cccc(F)c1F 479599038 HHICJQJSZUHQSE-UHFFFAOYSA-N 258.333 3.791 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@@H]2c2cccc(OCC)c2)CCC1 480629055 BMHPQULAFXAWSZ-SJORKVTESA-N 299.414 3.804 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 481682235 GWDKZZKDECYQQN-XHDPSFHLSA-N 289.354 3.788 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@H]2CCCC[C@H]12 483678857 DWMVAAAAAJJFHC-VMGRFDJRSA-N 272.367 3.708 30 20 CHED C=CCN(Cc1nc(CC(C)C)no1)CC1CCCCC1 484487267 MNZAPPPPLWDQMF-UHFFFAOYSA-N 291.439 3.836 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 487019008 CLLGRIHBPDHXPS-UHFFFAOYSA-N 286.375 3.709 30 20 CHED Cc1cc(CN2CCC[C@H]2c2cccn2C)ccc1C#N 488197422 GNPJWZJTHNQURE-SFHVURJKSA-N 279.387 3.542 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc2ncccc2c1 489461762 JBNYZIBUCCSFAV-MRXNPFEDSA-N 252.361 3.775 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@H](C)[C@H]1C)c1ccccc1 489676442 SGJHANTVLOSINQ-UXLLHSPISA-N 271.404 3.993 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(-c2csc(C)n2)cc1 491526159 XSVQVHBJRZUWTH-LLVKDONJSA-N 299.399 3.604 30 20 CHED Cc1ccncc1/C=C\C(=O)Nc1ccc(C#N)c(Cl)c1 492452443 DCMPPMGPAMWBDL-HYXAFXHYSA-N 297.745 3.567 30 20 CHED N#Cc1ccsc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 497989424 JLSNOZKUZNUXAM-MBNYWOFBSA-N 288.416 3.708 30 20 CHED C=C(C)CN(CC)Cc1c[nH]nc1-c1ccc(C)cc1 505841966 AMTJJZUQQLMVKO-UHFFFAOYSA-N 269.392 3.783 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1ccc(Cl)cc1 506055182 BMJBXVWOWRRSTN-VXGBXAGGSA-N 250.773 3.883 30 20 CHED Cc1cc(N2CCC[C@@H]2c2cccc(F)c2)cc(C#N)n1 516326500 KWEWEOWZWGGJMC-QGZVFWFLSA-N 281.334 3.742 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(CCC#N)Cc1cccnc1 523324774 KZYKQHWEFGXTAI-WBVHZDCISA-N 299.418 3.540 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 528126830 XYYLYWGTZSGMNR-OAUYIBNBSA-N 287.378 3.632 30 20 CHED Cc1cocc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 528710165 YNKWCYWHGRVPMV-WBVHZDCISA-N 294.354 3.500 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(CC#N)cc1 533949693 SWFKWNBFQWPNTC-GDBMZVCRSA-N 284.403 3.699 30 20 CHED CC#CCNC(=O)C1(Sc2ccc(C)cc2)CCCC1 534262482 LNFDMKMRGAFJBW-UHFFFAOYSA-N 287.428 3.539 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@@H]1c1ccccc1 538148639 YGILBQWGUMIGMZ-ACJLOTCBSA-N 280.346 3.890 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccccc2)C2CC2)c1F 539492717 ILRZGQBICDBSJD-SFHVURJKSA-N 280.346 3.938 30 20 CHED C=CC[C@@H](CO)CNC(=O)CC1CCC(C(C)(C)C)CC1 540420117 HKFIDUXGDONXKW-HWOWSKLDSA-N 295.467 3.530 30 20 CHED C[C@H](N[C@H](C)COc1cccc(F)c1)c1ccc(C#N)cc1 540597962 YIDHBVDWUNOJKT-KGLIPLIRSA-N 298.361 3.815 30 20 CHED C=CCCCC(=O)N1[C@@H](C)c2ccc(OC)cc2C[C@H]1C 541005774 CQWDVVVGWHQLKE-KGLIPLIRSA-N 287.403 3.886 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCC[C@H]1c1ccccc1Cl 544603696 QNSAQVALNIURLL-JLJPHGGASA-N 293.838 3.750 30 20 CHED Cc1nnc(SC[C@H]2CCC[C@H](C)C2)c(C#N)c1C 546189132 VWAIUWDWURBXSQ-GWCFXTLKSA-N 275.421 3.884 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CC)C1 549634044 HOQYWDLGJUEMER-LSDHHAIUSA-N 290.455 3.994 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H]1CC[C@H](C#N)C1 550105501 JWGOCGWZAACGMW-YCVVXREPSA-N 298.430 3.620 30 20 CHED Cc1ccc(Cl)cc1N(C)CCCSCC#N 555681079 DJWYRDSKMVKMEW-UHFFFAOYSA-N 268.813 3.732 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)c1cc2ccccc2s1 557583865 OHQNLLSTFRETDW-NSHDSACASA-N 279.368 3.763 30 20 CHED C=CCC(C)(C)c1noc(Cn2ccc3ccccc32)n1 560030053 YZZYMIBGWXSZKY-UHFFFAOYSA-N 281.359 3.926 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCC[C@@H](N2CCCC2=O)C1 563444545 OJILSXZCIAVNFQ-YESZJQIVSA-N 292.467 3.645 30 20 CHED C=CCC[C@H](NCCCc1cncn1C)c1ccccc1 566922450 HUTMCDWDJTVFKZ-SFHVURJKSA-N 283.419 3.650 30 20 CHED N#CC1(CNCc2cnc(C3CCCCC3)s2)CCC1 567096722 SDNUVPFNTIOUDI-UHFFFAOYSA-N 289.448 3.974 30 20 CHED C=C(C)C[C@H](C)C(=O)NC1(C(F)F)CCCCC1 567533766 XQUMCIOSEFKYHM-NSHDSACASA-N 259.340 3.673 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@]23CCC[C@H]2C3)cc1 567613518 YKPQIZUCNBSNPG-BXWFABGCSA-N 296.414 3.855 30 20 CHED CN(C)CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C 568569396 QEDATJMGMJPKIU-ROUUACIJSA-N 299.462 3.502 30 20 CHED CCCC[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(OC)cc1 568975427 GKODQTJFUIMRQK-CRAIPNDOSA-N 299.418 3.960 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2(CC(C)C)CC2)cc1 569050597 QGVOKZKUBHQPSN-MRXNPFEDSA-N 284.403 3.756 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(Br)cn1 570791460 UUWDHMAUSWPGNB-JTQLQIEISA-N 283.213 3.707 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCC2)c(Cl)c1 571757252 LEHFXOFDJIMBAH-SMDDNHRTSA-N 289.766 3.522 30 20 CHED C=CCn1c(C2CC2)nnc1N(CCCCC)C(C)C 572889785 AXRDHHVRDGEVOV-UHFFFAOYSA-N 276.428 3.747 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@H](C)[C@H]1CC 573021427 XSKWJGGLVTZGQK-DZGCQCFKSA-N 288.439 3.747 30 20 CHED CCC[C@H](NCc1ccc(C#N)cn1)c1ccccc1 574934881 LMAXWHINTDSWGB-KRWDZBQOSA-N 265.360 3.584 30 20 CHED C=CCC1(c2nc(-c3cnc4ccc(C)cn34)no2)CCC1 577247168 IRPLDUZGLASUQI-UHFFFAOYSA-N 294.358 3.691 30 20 CHED CC(C)(C#N)CCC[S@](=O)[C@@H]1CCc2ccccc2C1 579253396 RULGBIAUTNHIBQ-UZLBHIALSA-N 289.444 3.623 30 20 CHED C[C@@](C#N)(NC(=O)[C@H]1CC[C@H](C)CC1)C1CCCCC1 579479350 WLDMECORWHQKID-ZQIUZPCESA-N 276.424 3.791 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nnc(CC(C)C)n1C 579648882 SMYVFSBGGVKYLG-UHFFFAOYSA-N 298.434 3.596 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CC[C@H]1C1CC1 579885691 GFESIOYMEHMHQU-KBPBESRZSA-N 256.349 3.557 30 20 CHED CCCC[C@H](C)N(C)C(=O)c1ccc(C#N)c(Cl)c1 579897243 KBCNIRDDIJHKLB-NSHDSACASA-N 278.783 3.862 30 20 CHED C=C(CC)CNC(=O)c1cnn(-c2ccccc2)c1C(C)C 583306574 RFTJTQAIBSARQA-UHFFFAOYSA-N 297.402 3.692 30 20 CHED C=CCCC(=O)NCc1ccc(OC2CCCCC2)cc1 588039246 WADMSRPHHHOKSD-UHFFFAOYSA-N 287.403 3.981 30 20 CHED Cc1cc(C#N)nc(N2C[C@@H](C)CC[C@H]2c2ccccc2)n1 588071857 HMKXBOHOFVFXQV-GUYCJALGSA-N 292.386 3.634 30 20 CHED CCOCc1ccccc1-c1noc(CCCCCC#N)n1 589096292 LNJQCBYXKHFAJS-UHFFFAOYSA-N 299.374 3.900 30 20 CHED CC(C)[C@@H](CNc1cccnc1C#N)c1ccccc1 589560577 JWACIZYOPTYVKH-OAHLLOKOSA-N 265.360 3.805 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 589578638 XYDBRZSVZJYHGI-DLBZAZTESA-N 293.326 3.609 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)ccc1SCC 591252092 LLLVPGBUIDZINP-UHFFFAOYSA-N 299.823 3.983 30 20 CHED CC(C)(C)CC(=O)N(CC#N)c1ccc(Cl)cc1 592650676 NIADCEFZSZPXSW-UHFFFAOYSA-N 264.756 3.633 30 20 CHED N#Cc1ccc(NC(=O)NC2CC3(CCC3)C2)cc1Cl 593137463 WXJNMRDFLPNPNK-UHFFFAOYSA-N 289.766 3.666 30 20 CHED CCCN(C(=O)[C@H](C#N)CC)[C@H](C)c1ccccc1OC 593425743 OJJNYMRVVBZLOQ-KGLIPLIRSA-N 288.391 3.545 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 593504645 IOWXPTPXGOKXCQ-FRRDWIJNSA-N 292.810 3.840 30 20 CHED CC[C@@H](C#N)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 593556967 PGIZDVBHBRRGQX-RYUDHWBXSA-N 293.436 3.644 30 20 CHED N#Cc1cccc(CN[C@@H]2CC[C@@H]2c2ccccc2)c1 594995432 QAJIPJUJAOWYRR-QZTJIDSGSA-N 262.356 3.594 30 20 CHED C=CCCSCCN[C@@H](c1ncc[nH]1)C1CCCCC1 595058271 GCFMUVCROKZUSJ-OAHLLOKOSA-N 293.480 3.930 30 20 CHED C[C@H](C#N)N(CCSc1ccc(Cl)cc1)C1CC1 595712218 IEGNJUFRUUFPRQ-LLVKDONJSA-N 280.824 3.809 30 20 CHED C[C@@H](C#N)N(C(=O)c1cccc(C(C)(C)C)c1)C1CC1 598135907 AXZSQFMUGMAMTG-LBPRGKRZSA-N 270.376 3.501 30 20 CHED CC(C)(CCC#N)CNc1nccc2ccccc12 599085934 VXDGRFQFKRZFJS-UHFFFAOYSA-N 253.349 3.977 30 20 CHED N#CC[C@@H]1CCCN(c2nc3ccc(F)cc3s2)C1 603405175 NHXCJULEURLBAA-JTQLQIEISA-N 275.352 3.565 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc2c1CCCC2 604903886 QPAGIIQLAFGROB-LBPRGKRZSA-N 258.365 3.652 30 20 CHED Cn1ccc2c(N[C@H](C#N)Cc3ccccc3)cccc21 608889181 QPOAJAKMHWLQBY-HNNXBMFYSA-N 275.355 3.725 30 20 CHED Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(C)n1 611300380 XGWYNKHITVGCQA-DZGCQCFKSA-N 279.387 3.982 30 20 CHED CCCn1c(CN2CCC[C@@](C)(C#N)C2)nc2ccccc21 612406834 VDJQITSLRQNGFW-SFHVURJKSA-N 296.418 3.572 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 613270852 DWJQESHDSSIFAG-XOKHGSTOSA-N 287.403 3.660 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1c1nc2ccccc2n1C 618887219 MHANKASQMQVERH-PBHICJAKSA-N 296.418 3.650 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(F)c2ccccc12 619519624 MZBNLARKFDFXLY-GFCCVEGCSA-N 284.334 3.647 30 20 CHED C=CCCOCC(=O)Nc1ccc(OCCC)c(Cl)c1 620201597 ZDJHKFNRZKNZDM-UHFFFAOYSA-N 297.782 3.660 30 20 CHED C=CCN(C(=O)c1cccc(F)c1Cl)C(C)(C)C 622944559 XOGLBVMWBMWPRC-UHFFFAOYSA-N 269.747 3.906 30 20 CHED C=CCN(C(=O)c1cc2cccnc2s1)C(C)(C)C 622945888 XCTBBJGAQDPBQJ-UHFFFAOYSA-N 274.389 3.723 30 20 CHED C=C(CN[C@@H]1CCCc2scnc21)c1ccccc1 623877991 ULASQYOEKNOFTG-CQSZACIVSA-N 270.401 3.824 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 664594980 IJHIHVOUKJRIIL-HUUCEWRRSA-N 296.455 3.624 30 20 CHED C=CCCc1noc(C2(C(F)(F)F)CCCCC2)n1 664896192 FGXLYUVEGWUAJX-UHFFFAOYSA-N 274.286 3.952 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)c1cccc(CC(C)C)c1 671771196 NGJVURYTFZESGX-ZIAGYGMSSA-N 259.393 3.679 30 20 CHED C=C(C)[C@H](CO)N1C[C@H](c2ccccc2)c2ccccc21 683528211 YPOROLWUAAMQNP-MJGOQNOKSA-N 279.383 3.576 30 20 CHED Cc1ccc(CC(=O)Nc2ccc(Cl)cc2C#N)cc1 702264785 VUXZNIARNMMWIF-UHFFFAOYSA-N 284.746 3.701 30 20 CHED N#Cc1ccc(N2Cc3ccc(Br)cc3C2)cc1 707963594 DKTDJECLXCKZRY-UHFFFAOYSA-N 299.171 3.841 30 20 CHED CCn1c(C)cc(C=NNc2cccc(F)c2)c1C 728226522 RYOYROBTIFFOKU-UHFFFAOYSA-N 259.328 3.710 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc(C#N)cc2)c1 728574889 WVYFWSAAQVBEAP-UHFFFAOYSA-N 260.340 3.566 30 20 CHED Cc1ncccc1/C=C1/Cc2c(Cl)cccc2C1=O 728787524 NSGOJZICQXTHHZ-WQLSENKSSA-N 269.731 3.866 30 20 CHED CCn1c(C)cc(C=NNCCCc2ccccc2)c1C 729144927 BWFDLNNATJMNOH-UHFFFAOYSA-N 283.419 3.681 30 20 CHED Cc1cc(F)ccc1C=NNCCCOc1ccccc1 729148270 WXJKXTVKJNLVOX-UHFFFAOYSA-N 286.350 3.527 30 20 CHED N#Cc1cccc(C(=O)OC[C@H]2CCCc3ccccc32)c1 729219440 QLZGSMUWXJCIGS-QGZVFWFLSA-N 291.350 3.835 30 20 CHED CC(CSC(C)(C)C)=NNc1nc2ccccc2[nH]1 729632884 JGDCVQQCLXGIRC-UHFFFAOYSA-N 276.409 3.882 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cc(C)cc(C)c2)cc1 730436729 LOVQMGMYLXQIPI-TWGQIWQCSA-N 294.350 3.986 30 20 CHED CCCCCCCCC(=O)N1C[C@H](CC)O[C@H](C)C1 732145341 AYBCSSHSDKTTBO-CABCVRRESA-N 269.429 3.763 30 20 CHED C#CCOc1ccccc1CNc1nc2cc(C)ccc2o1 734145577 TZDDXOXOUFYXTN-UHFFFAOYSA-N 292.338 3.760 30 20 CHED CC(C)n1ncc2cc(N=Cc3cccc(O)c3O)ccc21 735229177 UGNZXARQIOLQJQ-UHFFFAOYSA-N 295.342 3.779 30 20 CHED Fc1ccc(F)c(C=NNc2c(F)cccc2F)c1 735614802 BTYULYRQBVWZRM-UHFFFAOYSA-N 268.213 3.689 30 20 CHED Cc1cccc(CC(=NNc2ccc(C)nn2)C2CC2)c1 736430946 ONMUHVFROIKTJJ-UHFFFAOYSA-N 280.375 3.514 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2oc(C(C)C)nc2c1 736999809 RGFWBQRHKAOXJZ-UHFFFAOYSA-N 293.754 3.825 30 20 CHED C[C@@H]1CC(/N=C/c2cc([N+](=O)[O-])ccc2O)C[C@H](C)C1 739426359 KMNIKXLAHOSRIV-MXNOBRNFSA-N 276.336 3.544 30 20 CHED C=CC[C@H](C)NC(=O)/C=C(/CC)c1ccc(C)cc1 741694268 GPWZMDDKLSZKMK-UZFBZYOGSA-N 257.377 3.869 30 20 CHED Fc1ccc2oc(C=NNc3nc4ccccc4[nH]3)cc2c1 741760819 SIEIJEGOHLTPOI-UHFFFAOYSA-N 294.289 3.894 30 20 CHED C(=NNc1nc2ccccc2[nH]1)C1CCCCCC1 741837147 KPCOQRGXBAFIRW-UHFFFAOYSA-N 256.353 3.931 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)c1ccccc1C(F)(F)F 742079709 KRQAUYBWXNLIBC-VIFPVBQESA-N 291.700 3.678 30 20 CHED CC(=NOCc1ccccc1)c1ccc2c(c1)COC2 743434833 ZXWUPGZTTBCHNZ-UHFFFAOYSA-N 267.328 3.658 30 20 CHED C=C(C)CCOC(=O)c1cccnc1SC(F)(F)F 744304190 PDUCXMKOJQRMND-UHFFFAOYSA-N 291.294 3.817 30 20 CHED C=C(C)CCOC(=O)c1nc(-c2ccccc2F)oc1C 744305276 XDDOTOYHKIHJIG-UHFFFAOYSA-N 289.306 3.912 30 20 CHED C=CCCCOC(=O)[C@@H](C)CCOc1ccccc1 745764897 CJPMYHHWZYJFJQ-AWEZNQCLSA-N 262.349 3.601 30 20 CHED C[C@@H]1CC(=NNc2ncnc3sccc23)C[C@@H](C)C1 747754804 DRWJNOBJJZIWTK-UWVGGRQHSA-N 274.393 3.915 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)Cc2ccc(F)cc21 749004164 ACIMYOBVOLXMNP-WDZFZDKYSA-N 274.241 3.926 30 20 CHED C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)c1ccc(C#N)cc1 749150340 KJTKHOXXXDHCTP-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 751101070 BMTCGTRJDOJSLT-XPTSAGLGSA-N 296.773 3.501 30 20 CHED C#CCCCCCc1nc(-c2c(C)nsc2C)no1 752873520 NJRVSMJOQUQIJQ-UHFFFAOYSA-N 275.377 3.546 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C1\CC[C@@H](C)C1 753594285 SUWQNAXEQTYTQB-GMCKNXKJSA-N 284.359 3.642 30 20 CHED CC#CCCOC(=O)c1cnn(C(C)C)c1-c1ccccc1 753615457 DSROBNAIWOIZTB-UHFFFAOYSA-N 296.370 3.701 30 20 CHED FC(F)(F)CON=Cc1cc(Cl)ccc1Cl 753712478 AKFMIPCJLTVZHP-UHFFFAOYSA-N 272.053 3.906 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H]1CC[C@H](O)CC1 753718844 SNGAJFCCTDMJOW-WKILWMFISA-N 298.471 3.682 30 20 CHED Cc1ncc(C=NOc2ccccc2C(F)(F)F)s1 754709081 IVBMOPNICKHCEV-UHFFFAOYSA-N 286.278 3.883 30 20 CHED COc1cccc(NN=C[C@@H]2C[C@@H]2c2ccccc2)c1 755609275 TXASWTHEZHPFEW-WMLDXEAASA-N 266.344 3.897 30 20 CHED CCCCCCCCCCC(=O)N[C@@]1(C)CCOC1 756203625 JXCQAQCKWYAMNM-INIZCTEOSA-N 269.429 3.812 30 20 CHED C#CC[C@H](NC(=O)/C=C\c1ccccc1F)c1ccccc1 757579749 OYMNPRLJPYLFFN-HWOXTHGCSA-N 293.341 3.720 30 20 CHED C#CCCCC(=O)Nc1ccc(OCCC(C)C)cc1 757987921 ZWQZKXYYEHBJGY-UHFFFAOYSA-N 273.376 3.854 30 20 CHED C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)Cc2ccccc21 758686723 IOFNSYNSGJNJIP-CYBMUJFWSA-N 280.346 3.817 30 20 CHED Cc1ccc([C@H]2CCCC2=NOCC(F)F)cc1 758900124 PQBBWSPVSNTZNW-GFCCVEGCSA-N 253.292 3.900 30 20 CHED CCC(=NNc1cccc(OC)c1)c1ccc(C(=O)O)cc1 760239419 KSJADVHEZDVSMF-UHFFFAOYSA-N 298.342 3.620 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(F)cc1O 761884468 GNNKZWJZXOUNAE-UHFFFAOYSA-N 292.285 3.515 30 20 CHED c1cnnc(NN=C2CCCc3c2sc2ccccc32)c1 763171804 QMURNGFJSQYIKX-UHFFFAOYSA-N 294.383 3.844 30 20 CHED C#CCN(CC)C(=O)C1(Sc2ccccc2)CCCC1 764211084 OHROMFGXHQTYRV-UHFFFAOYSA-N 287.428 3.573 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccc(O)c(F)c1 764717014 CLCBDFRRUQKAOJ-UHFFFAOYSA-N 292.741 3.699 30 20 CHED CC1CCC(=NNc2ncnc3ccsc23)CC1 764840874 MNZRYHCJNCIBEA-UHFFFAOYSA-N 260.366 3.669 30 20 CHED COc1ccc(NN=C2C[C@H](OC(C)C)C2(C)C)cc1 764908737 NCXGPWJZLWYTEJ-HNNXBMFYSA-N 276.380 3.687 30 20 CHED C=CC[C@@H]1N(C(=S)NC(C)(C)C)CCCC1(C)C 766525959 SRODYZQTADSAGM-LBPRGKRZSA-N 268.470 3.726 30 20 CHED CC#CCCCC(=O)Oc1cc(C)ccc1Cl 767044234 KGEZARVFTYWDRE-UHFFFAOYSA-N 250.725 3.747 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)CCC1CCCCC1 767078245 XFAMDQPGLNREHU-AWEZNQCLSA-N 263.425 3.901 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cc(Cl)ccc1SCC 767244462 YIUHYNJIAFOXOC-JTQLQIEISA-N 281.808 3.546 30 20 CHED C=CCN(CC=C)Cc1cc(Cl)cc(Cl)c1O 768137585 NOEWYYJGRWSAGI-UHFFFAOYSA-N 272.175 3.873 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ncnc3ccsc23)C1 768367880 SQZYDOSCDIPLPW-QWRGUYRKSA-N 274.393 3.915 30 20 CHED C[C@@H](OC(=O)[C@@H](F)c1ccccc1)c1ccc(C#N)cc1 769306582 LUYPJZWTJZAUKY-WBMJQRKESA-N 283.302 3.873 30 20 CHED CCSc1cccc(C=NNc2ccnc(F)c2)c1 769802363 QWYUXSIPEULDAO-UHFFFAOYSA-N 275.352 3.779 30 20 CHED COc1ccc(C(C)=NNc2c(C)cccc2F)c(O)c1 769839378 CANOEFAIJBITPH-UHFFFAOYSA-N 288.322 3.684 30 20 CHED CCC(=NNCc1cc(F)ccc1F)c1ccc(C#N)cc1 773055631 RFDJXIKWKMTUEN-UHFFFAOYSA-N 299.324 3.740 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1cc(C#N)cc(Cl)n1 773207816 MAJJTCJKLQMOEW-YPMHNXCESA-N 288.782 3.997 30 20 CHED CC[C@H](N[C@@H](C)C[C@@H](O)c1ccco1)c1ccc(C#N)cc1 774229308 FRQSJWRWHLGEKS-RRQGHBQHSA-N 298.386 3.704 30 20 CHED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1c(C)nn(C(C)C)c1C 774596281 IHUSVYJQHLWILO-HRCADAONSA-N 288.439 3.583 30 20 CHED C(=NOC1CCCC1)c1cnc(C2CCC2)s1 774609843 ZSLQBKYMZLNZAT-UHFFFAOYSA-N 250.367 3.704 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CCCOCC1 776320272 KGYDMEXHFLXSOE-JKSUJKDBSA-N 298.471 3.851 30 20 CHED N#C[C@H](OC(=O)/C=C\c1cccs1)C1CCCCC1 776361574 RDFVKNRQJZEREV-CKXPSTMWSA-N 275.373 3.777 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1CC#N 776895853 XZJKKEJZJPBCIU-AEFFLSMTSA-N 298.430 3.770 30 20 CHED C=CCc1ccccc1OC(=O)c1ccc2c(c1)ncn2C 777300187 LOCVMTBBIFPWFX-UHFFFAOYSA-N 292.338 3.521 30 20 CHED C=CCN(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C 779067758 ZSOAKBFDXFBYLU-UHFFFAOYSA-N 282.387 3.661 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2sccc2Cl)o1 782213022 ASEXFJDWFZRONJ-UHFFFAOYSA-N 294.767 3.831 30 20 CHED C(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1cnc(-c2ccco2)s1 782267974 UFXQWTVLADXFIX-GMXVVIOVSA-N 287.388 3.515 30 20 CHED Fc1cc(Cl)ccc1C=Nn1cnc2ccccc21 783515121 WPRJAOLSBJGGFH-UHFFFAOYSA-N 273.698 3.711 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCCCC(C)C)c1 783638442 PSFCGZNBRQPDMC-INIZCTEOSA-N 274.408 3.893 30 20 CHED C=CCCCC(=O)OC[C@H]1CCC2(CCCCC2)O1 786298247 GITIPDBIVQHJEU-CQSZACIVSA-N 266.381 3.768 30 20 CHED N#Cc1cc(NC2CCCCCCC2)cc(N)c1[N+](=O)[O-] 786561208 PHEXTLMPNNZZJR-UHFFFAOYSA-N 288.351 3.573 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1ccnc(C)c1 790043581 UAVIKLLWQCQCCU-UHFFFAOYSA-N 296.370 3.540 30 20 CHED O=C(O)c1cccc(NN=Cc2ccsc2Cl)c1 790141672 RKSCTUMCVLABAM-UHFFFAOYSA-N 280.736 3.546 30 20 CHED C=CC[C@H](C(=O)OC[C@H]1CCC(C)(C)O1)c1ccccc1 792020824 KLTQNCUORDQPKV-CVEARBPZSA-N 288.387 3.847 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1CCCc2c1cnn2C 793523033 HNGFPLRUFKQXQL-GDBMZVCRSA-N 275.440 3.912 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 794342618 QZFWLIQJVMYBIK-SXSDINLZSA-N 296.414 3.856 30 20 CHED CC(C)n1nccc1C=NNc1cccc(Cl)c1F 794500108 UWUUZIRRRYTQGM-UHFFFAOYSA-N 280.734 3.703 30 20 CHED C#CCCCNc1ccccc1-c1csc(C)n1 795049501 PCVQKTLSGSCVHW-UHFFFAOYSA-N 256.374 3.944 30 20 CHED N#Cc1ccc(F)c(CNc2ccnc3c(O)cccc23)c1 795100915 HXAFZCIBVXKPPL-UHFFFAOYSA-N 293.301 3.563 30 20 CHED CCCCCCCCN1C[C@H](N2CCCC2)C[C@H]1C 796431371 XKRWQRCULXIIMQ-IAGOWNOFSA-N 266.473 3.906 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 796871223 DXJSDEBNWNIGOZ-DSJMHWKBSA-N 263.381 3.828 30 20 CHED C=CCOCCOC(=O)c1ccc(SC(C)C)cc1 797324751 HHHBXVSBLNZGCS-UHFFFAOYSA-N 280.389 3.547 30 20 CHED CC(C)c1ccc(NC(=S)NCC2(CC#N)CC2)cc1 797408924 PUWWHIYRPLXPOU-UHFFFAOYSA-N 287.432 3.790 30 20 CHED Cc1ccc(NC(=O)c2ccc(C)c(C#N)c2)c(F)c1 799293934 SJOSXDZVRUQKEJ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC[C@H]3C[C@H]32)c1 800974299 JJIOCNXPPMGWNR-IDCNUPLLSA-N 284.403 3.646 30 20 CHED Cc1cc(CSCCO[C@@H](C)C#N)c(C)s1 802749771 MSXWPMXGOWLCPV-VIFPVBQESA-N 255.408 3.527 30 20 CHED N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 802892054 YVQTVLJFLIFXFH-QLFBSQMISA-N 298.386 3.809 30 20 CHED C#Cc1ccc(C(=O)O[C@@H]2CCc3c(Cl)cccc32)nc1 803338839 QQCXIVLDTCFRFN-MRXNPFEDSA-N 297.741 3.561 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(SC(F)F)cc1 806080828 QRMKJMVJOIVMOF-VIFPVBQESA-N 284.331 3.535 30 20 CHED C#CC[C@@H](NC(=O)Nc1c(C)ccnc1C)c1ccccc1 806538231 AENZIPUGRZHQGX-MRXNPFEDSA-N 293.370 3.585 30 20 CHED C#C[C@H](NC(=O)C1(c2ccccc2C)CCC1)C(C)(C)C 807882229 LFPYXYAUVDCJAH-INIZCTEOSA-N 283.415 3.581 30 20 CHED CCCC[C@H](C)C(C)=NNc1nc(O)c2ccccc2n1 807977307 IMTBSFXHBALIAU-NSHDSACASA-N 286.379 3.950 30 20 CHED Clc1cccc(C=NNc2nccnc2C2CCC2)c1 807993282 YPBVRWXRKQCIHA-UHFFFAOYSA-N 286.766 3.844 30 20 CHED CCc1ccc(C=NOCC[C@H](O)c2ccccc2)cc1 808244882 BVPHURYKLMTDLQ-SFHVURJKSA-N 283.371 3.723 30 20 CHED C=CCCCCCCNCc1cccnc1Cl 808418848 FZCYTRSMVMLYJO-UHFFFAOYSA-N 252.789 3.961 30 20 CHED O=C1/C(=C\c2cnccn2)CCCc2ccc(Cl)cc21 809153851 HBHOCFJESHKTLV-WQLSENKSSA-N 284.746 3.733 30 20 CHED Cc1nn(C)c(Cl)c1/C=C1\C(=O)c2ccccc2[C@H]1C 809159917 ZFBDPBWOJCOKQZ-PGEKAQRJSA-N 286.762 3.765 30 20 CHED C#Cc1ccc(CNc2ccccc2-n2nccc2C)cc1 809639525 WPUGRRARUOVURB-UHFFFAOYSA-N 287.366 3.774 30 20 CHED CC(=NOC/C=C/Cl)c1cccc(Br)c1 811668042 JYWNURITBKOXKW-PSWGYPDDSA-N 288.572 3.942 30 20 CHED C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@]1(C#N)CC1(C)C 813301139 ZMAGLHDMEJBTIP-YCABEKBOSA-N 288.778 3.552 30 20 CHED COCc1ccccc1/C=C(/C)C=NNC1CCCC1 814221057 PQAUJFAYDXNUGJ-ZEBITPJESA-N 272.392 3.754 30 20 CHED CC(=NOCC1CC1)c1cc(Br)cs1 814240976 AMRLSKLRKGOCMX-UHFFFAOYSA-N 274.183 3.661 30 20 CHED CSC(C)(C)CC=NNc1ccc([N+](=O)[O-])cc1 814681771 BIQPSFPZKIFHSM-UHFFFAOYSA-N 267.354 3.524 30 20 CHED CCC(=NNc1cc(F)cc(F)c1)c1cccc(N)c1 814813067 HENWRKBQVBXLLT-UHFFFAOYSA-N 275.302 3.773 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1cc(N)ccc1F 814863918 IHJGYZWBQFIVSS-UHFFFAOYSA-N 297.255 3.661 30 20 CHED CC(C)[C@@H]1CC(=NNc2ncnc3ccsc23)CS1 814879960 LVKATVPRZJCLLS-NSHDSACASA-N 292.433 3.621 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(Cl)cc1OC 817579274 BDTMIKPZRMARMS-VIFPVBQESA-N 260.164 3.752 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1c(F)cccc1F 820675126 BSXZJCDIPUFTEO-LLVKDONJSA-N 267.319 3.526 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1C(C)(C)C)C(C)C 821514049 XXKFXGBGCWUOOM-AWEZNQCLSA-N 272.392 3.763 30 20 CHED C[C@H](C#N)Oc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cc1 824942414 ZPNIRWJBSFQOIQ-UPRAQXHNSA-N 296.414 3.598 30 20 CHED C=CCCCCN1CCC[C@H]1C[C@@H](O)c1cccs1 828012212 KBZGXJKFDZVPKE-LSDHHAIUSA-N 279.449 3.992 30 20 CHED CC(C)c1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1 832066753 WWTGSMAWOLFNES-KRWDZBQOSA-N 270.376 3.576 30 20 CHED C[C@@H]1C/C(=C/c2ccoc2C(=O)O)C(=O)c2ccccc21 833587364 KMCITDYVKAUEKJ-WJEYQPDNSA-N 282.295 3.751 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@H]2CCCC2(F)F)cc1 834886631 UTSOMXBBDXKOIG-DZGCQCFKSA-N 293.357 3.785 30 20 CHED C#Cc1cccc(CN[C@@H]2c3ccccc3C[C@@H]2C)c1 834904600 ZPSUGEWIXNUJNT-LIRRHRJNSA-N 261.368 3.691 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2nc(C3CC3)no2)CCCC1 835303817 LLLZEJMLJHKCLK-NSHDSACASA-N 290.363 3.688 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2ccc(C)o2)c1 837139586 YGAQRFZTJJIXQC-LBPRGKRZSA-N 268.316 3.510 30 20 CHED C=CCC1(C(=O)OCc2ncc(C(C)C)o2)CCCC1 838278834 CCTNRKVNPZFPTL-UHFFFAOYSA-N 277.364 3.978 30 20 CHED C#CCC[C@H](C)OC(=O)c1cc(C)n(C(CC)CC)n1 839043954 WAWGEHVTKCSLKK-ZDUSSCGKSA-N 276.380 3.511 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2OC(F)F)C1 839060350 ZRICHRCZCPBJFE-GHMZBOCLSA-N 295.285 3.527 30 20 CHED CCC[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccn1 839063774 UGJGDDUQKXLUNQ-KFWWJZLASA-N 286.375 3.591 30 20 CHED N#CCCCOc1cccc(CNc2nccn2C2CC2)c1 840887629 QTIATIUFHQCPCA-UHFFFAOYSA-N 296.374 3.513 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)OC1CCCC1 841571954 JTEPDVXQMRKZJS-MRXNPFEDSA-N 284.359 3.604 30 20 CHED CCCCCCCCN1CCC([C@H]2C[C@@H](N)CCO2)CC1 842478274 GMACBQVBRHAEQU-ZWKOTPCHSA-N 296.499 3.565 30 20 CHED C[C@@H](CC(=O)N(CC#N)c1ccc(Cl)cc1)C1CC1 843611242 ZLJTXMLHZNHVAM-NSHDSACASA-N 276.767 3.633 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O 845095851 JYEPHTXSTNZETA-LLVKDONJSA-N 296.798 3.590 30 20 CHED C=CCOCCCOC(=O)c1ccc(C(F)F)cc1F 848804111 AIGPBYKUAWSSRI-UHFFFAOYSA-N 288.265 3.513 30 20 CHED C=CC[C@H](NCc1cccc(CC)c1O)c1ccncc1 848897351 PKKPINOQKSBYGI-KRWDZBQOSA-N 282.387 3.757 30 20 CHED CC1(C)/C(=C\c2ccnn2CC2CC2)C(=O)c2ccccc21 849246190 PMBPKXOHLAMCKK-BOPFTXTBSA-N 292.382 3.851 30 20 CHED C=CCCn1cc(/C=C\C(=O)c2cccc(C3CC3)c2)nn1 849248928 ANJFWALZKGPLII-KTKRTIGZSA-N 293.370 3.628 30 20 CHED C[C@@H](CC#N)OC(=O)c1cccc(SC(F)(F)F)c1 850843160 RFAYGAVSQYWYKI-QMMMGPOBSA-N 289.278 3.757 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(C3CC3)cc2)C1 851083779 MIFSASQRPOZSAN-WBMJQRKESA-N 269.344 3.803 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H]1CCC[C@@H](C#N)C1 851084866 YBVQOGANTWBVLB-YQFWSFKMSA-N 283.371 3.724 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCc1ccncc1 851144079 PFSOROLSKPGNCI-CVEARBPZSA-N 273.376 3.692 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ccc2cnccc2n1 851144449 RUYBYIKZBAWLJH-CXAGYDPISA-N 296.370 3.922 30 20 CHED Cc1ccc(C)c(CC(=O)O[C@H](C)CC(C)(C)C#N)c1 851209755 JOMDGXXXFCUSGD-CQSZACIVSA-N 273.376 3.718 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(C(C)C)c2)cnn1C 853004184 AQBOYSUSFQHXTH-HJWRWDBZSA-N 268.360 3.748 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(C(C)C)c2)n(C)n1 853007457 AIGOTVVGRDVUNV-HJWRWDBZSA-N 268.360 3.748 30 20 CHED Cc1c(NN=C[C@@H]2CC[C@@H]3C[C@H]3C2)cccc1C(=O)O 853370620 RUFNFGOIKCRHSC-JHJVBQTASA-N 272.348 3.527 30 20 CHED C[C@H]1CCCCN1N=Cc1cnc(-c2ccco2)s1 853382207 VMPBGPITBOSQGJ-NSHDSACASA-N 275.377 3.611 30 20 CHED CO[C@](C)(C=NNc1cc(F)cc(Cl)c1)C1CC1 853396200 ZRNUDRIMKQIKIQ-CYBMUJFWSA-N 270.735 3.692 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](CC=C)c1ccncc1 853748943 UDDXJFZHQLBWCD-HNNXBMFYSA-N 287.407 3.743 30 20 CHED CCCCCCCNC(=O)NC[C@H](C)c1c(C)noc1C 858110601 DWPHFMGUCMMJKJ-LBPRGKRZSA-N 295.427 3.665 30 20 CHED C=C1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 864254814 WXVDROBNYYNJOR-UHFFFAOYSA-N 268.719 3.663 30 20 CHED Cn1ccc(/C=C2/C(=O)c3ccccc3SC2(C)C)n1 871670817 DJOQPEGIHAMWSI-RAXLEYEMSA-N 284.384 3.571 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1nccn1-c1ccccc1 879999861 HPSGMJQLOPVCBQ-CQSZACIVSA-N 297.402 3.652 30 20 CHED C=C1CCC(C(=O)N(Cc2cccs2)C2CC2)CC1 887945954 NUKUOOIFDRMQLG-UHFFFAOYSA-N 275.417 3.986 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1F 888364519 DKXLUWMOSVGRNF-OAHLLOKOSA-N 289.354 3.740 30 20 CHED CCC[C@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1F 888364850 QXIXVSBLLOQKOD-ZDUSSCGKSA-N 289.354 3.884 30 20 CHED CC[C@H](C(=O)N(CC#N)c1ccccn1)C1CCC(C)CC1 892471626 SKBASXRSIRSGPQ-GPANFISMSA-N 299.418 3.791 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnccc1C(F)(F)F 893238450 ZYEUXDPYKVDEBL-UHFFFAOYSA-N 272.270 3.641 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 896506246 RKKHVMFJBVNWSO-VIFPVBQESA-N 274.311 3.502 30 20 CHED CCc1onc(C)c1C=NN[C@@H](Cc1ccccc1)C(C)C 901222823 SZRWIUSFUTXBBB-KRWDZBQOSA-N 299.418 3.736 30 20 CHED N#Cc1ccnc(CNc2ccc(C3CCC3)cc2)c1 901411409 JSFPCJXGRUEUFW-UHFFFAOYSA-N 263.344 3.833 30 20 CHED COC(=O)C[C@@H](C)SCCCCC1(C#N)CCC1 901494692 LCKCHUXHFKKWKF-GFCCVEGCSA-N 269.410 3.535 30 20 CHED CC(C)[C@H](COCc1ccccc1)NCC1(C#N)CCC1 903030930 AEWFINFSFBZWFX-KRWDZBQOSA-N 286.419 3.511 30 20 CHED Cc1noc(-c2cccc(Nc3ccc(C#N)cc3)c2)n1 904579627 QVEOYKKWKBFJBV-UHFFFAOYSA-N 276.299 3.660 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc(Cc2cccnc2)no1 904676663 BHYBURQJUVOBNH-INIZCTEOSA-N 291.354 3.763 30 20 CHED N#CCCCCOC(=O)CC12CC3CC(CC(C3)C1)C2 914617257 NXEWXWUMXMHGBF-UHFFFAOYSA-N 275.392 3.830 30 20 CHED CCOc1ccc(NC(=S)NN=C(C)[C@@H](C)CC)cc1 915926388 JWDOGORFZPNMGD-NSHDSACASA-N 293.436 3.794 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1ccc(F)cc1 915971161 HAOOEYIDBRGWOP-UHFFFAOYSA-N 282.322 3.549 30 20 CHED c1ccc(CNN=C2CCCc3ccccc32)cc1 916343908 KWKQLSWEOFPKDP-UHFFFAOYSA-N 250.345 3.517 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C=C\c1ccco1 917524806 CZGACGRRSKKFBB-FPLPWBNLSA-N 273.357 3.569 30 20 CHED N#Cc1ccc(OCCCNc2cccc(F)c2)cc1 917803141 PSOUQJNQDYNMDF-UHFFFAOYSA-N 270.307 3.578 30 20 CHED CCCCCCCC(=O)O[C@@H](C)C(=O)N1CCCCCC1 919223212 SFMNMYRIENVJSU-HNNXBMFYSA-N 297.439 3.681 30 20 CHED C#CCCOc1ccc(C=NN[C@H](C)c2ccccc2)cc1 920382881 QEGSVWMIOOAPKU-MRXNPFEDSA-N 292.382 3.773 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)OC1CCCCC1 1116279060 HAUZRRMTTWTGHW-AWEZNQCLSA-N 294.439 3.703 30 20 CHED Cc1cc(C(=O)OCCC(C)(C)C#N)c(C)n1C1CC1 1116489585 JQCSVVPASDULTN-UHFFFAOYSA-N 274.364 3.537 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1ccsc1C#N 1125263963 SQNOVZNVSZKTIS-UHFFFAOYSA-N 286.356 3.579 30 20 CHED Cc1cc(C)c(/C=C\CN(C)[C@@H](C)CC#N)c(C)c1 1180030817 QADUBWLGLPGCDS-WLMCBFPDSA-N 256.393 3.859 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2ccc(C#N)cc2)cc1C 1184742036 APOPKFCWFMJZGI-UHFFFAOYSA-N 293.370 3.839 30 20 CHED CCC[C@@]1(C)CCCN(c2cc(C)c(C#N)cn2)C1 1185526441 BKFXQRBALVPKIO-INIZCTEOSA-N 257.381 3.668 30 20 CHED CCSc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 1207313466 ISNGWDXKWPRQNE-CABCVRRESA-N 274.433 3.971 30 20 CHED CC#CCCNC(=O)c1ccc(-c2cccs2)s1 1254715205 UQZLNKMXOICPOS-UHFFFAOYSA-N 275.398 3.620 30 20 CHED C=C[C@H](CC)CC(=O)OCc1cc(COC)cs1 1263572357 NXOIHOGFMDHIPL-LLVKDONJSA-N 268.378 3.540 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 1290782538 OMCYWIVBEBMTGF-BMIGLBTASA-N 292.329 3.535 30 20 CHED Cc1ccc([C@@H]2CCCCN2c2cc(C#N)nc(C)n2)cc1 1306985030 LRTNJCAIDWKMPM-KRWDZBQOSA-N 292.386 3.697 30 20 CHED Fc1ccc(CNN=Cc2coc(-c3ccccc3)n2)cc1 1319705317 IWRVYKDWZABSQS-UHFFFAOYSA-N 295.317 3.604 30 20 CHED CSc1ccccc1C(C)=NOC/C=C/Cl 1323991135 LWLNZQSEQSSETA-QAFMXRTKSA-N 255.770 3.902 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ncc(Cl)s1 1324968063 VCFQKSIDFLCVHM-UHFFFAOYSA-N 299.827 3.589 30 20 CHED C#CCN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)C1CC1 1325310196 RUIDLZAQDMPALN-UTCJRWHESA-N 294.181 3.631 30 20 CHED CC(C)(C)c1cnc(/C=C\c2cc(C#N)ccn2)s1 1326683332 BNZJHGFEQYTKNH-PLNGDYQASA-N 269.373 3.878 30 20 CHED C#CCC1(C(=O)OCc2ccc(C#N)s2)CCCCC1 1326838155 CWHAFAQXJHTHNM-UHFFFAOYSA-N 287.384 3.637 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)c1cccs1 1336220065 ZZAMZYCKYHNJLA-CHWSQXEVSA-N 263.406 3.809 30 20 CHED CCCCCCCCOC(=O)c1ncoc1-c1ccon1 1346770323 BRYVKRKSHHTQKN-UHFFFAOYSA-N 292.335 3.847 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)[C@H]2CCc3c(Cl)cccc32)C1 1347140286 ZYTUEDWAXAPOOR-GYSYKLTISA-N 289.762 3.605 30 20 CHED C=C(CC)C(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 1351646727 VDAQDJJJMGYNSM-AEFFLSMTSA-N 269.388 3.881 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(C#N)c(C#N)c1 1354292996 VKKVTQDNRMNGEY-HNNXBMFYSA-N 295.386 3.975 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C\c1nccs1 1354428228 VNHBQJLBRDOAOZ-HJWRWDBZSA-N 290.432 3.751 30 20 CHED Cc1cc(C)cc(C2(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)CC2)c1 1436648833 JFMSKEZTSZXLAI-NVXWUHKLSA-N 297.398 3.961 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)c2cccc(C#N)n2)CC(C)(C)C1 1459704963 BVNDNEHFKZVBKS-KGLIPLIRSA-N 299.418 3.536 30 20 CHED CCc1cccc2c1N(Cc1ccc(C#N)cc1OC)CC2 1459708033 NHYVZBHHLCOVMJ-UHFFFAOYSA-N 292.382 3.692 30 20 CHED CN(c1ncc(C#N)cc1F)[C@H]1CCC[C@H]1C(C)(C)C 1472809223 MNIWPPBZZYIROA-OCCSQVGLSA-N 275.371 3.743 30 20 CHED N#CC[C@@H](OC(=O)c1ccc(C2CC2)cc1)c1ccco1 1520417134 CJRLGFHOAGWONU-MRXNPFEDSA-N 281.311 3.969 30 20 CHED C=C(C)Cn1c(N(C)c2ccccc2)nnc1C(C)(F)F 1523741876 GOEAAWVOLZGZQE-UHFFFAOYSA-N 292.333 3.734 30 20 CHED CC1(C)CCC[C@H](CNC(=O)CCc2ccc(C#N)cc2)C1 1525549131 KRUWWIBXDOXSJP-KRWDZBQOSA-N 298.430 3.823 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1534067849 KOADTZLTEAAIPC-YPMHNXCESA-N 296.374 3.589 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(CC#N)cc1Cl 1548711983 XFSAYLAYTMJQHD-UHFFFAOYSA-N 276.767 3.947 30 20 CHED C[C@H](c1ccc(Cl)cc1Cl)N1CC(C)(C#N)C1 1559799350 VTEUJRLXTXGGHS-SECBINFHSA-N 269.175 3.900 30 20 CHED CCCCN(Cc1cccc(C#N)n1)C1CCCCC1 1560855106 QGJPVDAADRAYMB-UHFFFAOYSA-N 271.408 3.888 30 20 CHED C[C@@H](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)CC(C)(C)C 1595735262 WKGXIKMAJIXWMB-NSHDSACASA-N 298.390 3.835 30 20 CHED CC(C)(C#N)CCCOc1ccc2cc(C(=O)O)cnc2c1 1603230335 SMKDVLJXPHUJQK-UHFFFAOYSA-N 298.342 3.642 30 20 CHED CC(/C=C/C(=O)c1cc(C(=O)O)co1)=C\c1ccccc1 1609725714 NQZFJBMUGLCPGN-ANKZSMJWSA-N 282.295 3.820 30 20 CHED N#Cc1cnc(Sc2ccc(Cl)cc2)c(F)c1 1641979063 LPNCHGPGKYHKHW-UHFFFAOYSA-N 264.712 3.897 30 20 CHED Cc1cc(C#N)nc(NC[C@H]2CCCC[C@H]2C(C)(C)C)n1 1642182958 IUOCDQYPBFGKHC-UKRRQHHQSA-N 286.423 3.921 30 20 CHED Cc1cc(N2CCC[C@@H]2/C=C/c2ccccc2)ncc1C#N 1643252053 ZBIXYLWSAXQEEQ-QZEKMECESA-N 289.382 3.944 30 20 CHED Cc1ccc(N(C)Cc2ccc(CC#N)cc2)c(F)c1 1643425485 LNNAVIKTUCVSIT-UHFFFAOYSA-N 268.335 3.837 30 20 CHED CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1Nc1nccc(C)c1C#N 1651699493 RWKYEMIPRFJMAR-YUELXQCFSA-N 287.407 3.513 30 20 CHED C[C@@H](Cc1cccs1)N(C)CCc1ccc(C#N)cc1 1652666284 YUUZDSXFENHBRZ-AWEZNQCLSA-N 284.428 3.725 30 20 CHED N#Cc1cccc(OCCN2CCCCc3sccc32)c1 1654305957 RBOCCFVTGXAJKS-UHFFFAOYSA-N 298.411 3.841 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cc(-c3cccc(Cl)c3)ncn2)C1 1655593309 RXCONWUKXLPABN-SMDDNHRTSA-N 298.777 3.901 30 20 CHED C=C(Cl)COc1cccc(C)c1Br 1656831426 JBAOXRFYHUHLPP-UHFFFAOYSA-N 261.546 3.889 30 20 CHED CCCC[C@H](CCC)CNC(=O)Nc1ccc(C#N)cn1 1672086666 JTBGUOZYGYSZCK-ZDUSSCGKSA-N 288.395 3.681 30 20 CHED C=C(Cn1c(C)nnc1N(C)[C@@H](C)CCC)c1ccccc1 1740797113 KTVKFGNHYKWZFR-HNNXBMFYSA-N 298.434 3.925 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@H](C)c2ccc(Cl)cc2)C1 1776157373 GGFJYPADGOGYNX-MLGOLLRUSA-N 293.794 3.754 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2cccc(C3CC3)c2)CC1 1776162575 ZNNVHEVMMHFVSV-UHFFFAOYSA-N 299.414 3.807 30 20 CHED COc1cc(C(=O)O)ccc1/C=C1\CCCC(C)(C)C1=O 1777267686 XGRNZVQIINAAOQ-FMIVXFBMSA-N 288.343 3.556 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccccc2F)cc1[N+](=O)[O-] 7741203 XRTLAOOXCXZGPK-CMDGGOBGSA-N 285.274 3.938 30 20 CHED C=CCNC(=S)Nc1ccc(OCCC(C)C)cc1 14569178 BWHNKGFJOZXXBK-UHFFFAOYSA-N 278.421 3.584 30 20 CHED N#Cc1ccnc(NCc2cccc(C(F)(F)F)c2)c1 19429443 ZYWIIPZVVKHXDA-UHFFFAOYSA-N 277.249 3.584 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1 28913167 AGUFHBOXYGLWDU-FNORWQNLSA-N 294.350 3.971 30 20 CHED C[C@H](NC(=O)CCC1CCCC1)c1ccc(C#N)cc1 31436301 SWWMJGXCDIEEBK-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED C=CCN(CC=C)C(=O)c1[nH]c2ccccc2c1Cl 44840021 VSJFAZWBXUKGCK-UHFFFAOYSA-N 274.751 3.636 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 57635250 JFVHYBGIINPLEV-BBRMVZONSA-N 299.418 3.600 30 20 CHED CCOc1ccccc1-c1nnc(SCCCC#N)o1 60598560 SGWYJWQWZKAHNX-UHFFFAOYSA-N 289.360 3.531 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1CCCC1 63777225 WSSZISFQKPFUKV-UHFFFAOYSA-N 299.418 3.668 30 20 CHED C=CCSc1nnc(Cc2c(F)cccc2Cl)o1 66257680 PKFSAFUCFZKCSR-UHFFFAOYSA-N 284.743 3.731 30 20 CHED CC(C)CCOCCNc1nc2ccccc2cc1C#N 71385890 RLMABOFWUHKLAP-UHFFFAOYSA-N 283.375 3.581 30 20 CHED N#CCc1cccc(-c2nc(Cc3ccc(F)cc3)no2)c1 72588563 JYLJNADOLFGYAI-UHFFFAOYSA-N 293.301 3.533 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C)o2)c1 73011866 LNUWFSJKNNMUMX-HNNXBMFYSA-N 284.359 3.559 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1cccc(C#N)c1 75269335 CMZUZSSWSRLSRN-KBPBESRZSA-N 284.403 3.952 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1[C@H]1C=CCCC1 76152814 KTALXDLCGMKWAQ-KSZLIROESA-N 266.388 3.867 30 20 CHED COCCCCCNc1ccc(C#N)cc1C(F)(F)F 77938844 JLHHLYRUCLSBGO-UHFFFAOYSA-N 286.297 3.806 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1ccc(C#N)cc1 82262142 DDJWYQACSITEPH-UHFFFAOYSA-N 270.719 3.772 30 20 CHED COc1ccc([C@H](C)Nc2nc(C)cc(C)c2C#N)cc1 88218831 SIYIRMIAJFQBKU-ZDUSSCGKSA-N 281.359 3.752 30 20 CHED N#Cc1c(Cl)nsc1SCc1ccccc1 92581961 SYWCUQFUPOQAQS-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C=CCCCCCN(C)Cc1c[nH]nc1-c1cccnc1 93498048 WJUXFNZPDCYHGS-UHFFFAOYSA-N 284.407 3.650 30 20 CHED CCO[C@@H]1C[C@H](Nc2ccc(F)cc2C#N)C12CCCC2 97635737 ASZYPCLVLIDUJG-JKSUJKDBSA-N 288.366 3.847 30 20 CHED O=C(/C=C/c1ccccc1Br)c1ccco1 98083890 ZDJDHOFLFITSHR-BQYQJAHWSA-N 277.117 3.938 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2cc(F)cc(F)c2)cc1 103172447 ZYQVDKXXKPRCIN-VMPITWQZSA-N 287.309 3.927 30 20 CHED CC(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 104417142 YNCNWQNPOJDCKZ-UHFFFAOYSA-N 280.327 3.945 30 20 CHED C=CCn1c(SC2Cc3ccccc3C2)nnc1C1CC1 109715680 KECZWKHLNDLCTF-UHFFFAOYSA-N 297.427 3.601 30 20 CHED N#Cc1cc(F)ccc1NCc1ccccc1Cl 111238328 DIDKYFLWIGTWKK-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(C)(C)C#N 112257459 OFJCQSBDFPHWOU-OAHLLOKOSA-N 272.392 3.748 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1C(=O)c1cccs1 116856329 LEZFDJJWDUEJCY-LBPRGKRZSA-N 299.395 3.674 30 20 CHED COc1ccc([C@@H](C)N(C)CCC(C)(C)C#N)cc1 119597570 SJEVFZGZBIGIEK-CYBMUJFWSA-N 260.381 3.628 30 20 CHED C#CCCCCC(=O)N(C)c1cc(Cl)ccc1OC 120151833 LBJBIPGGCLTTHX-UHFFFAOYSA-N 279.767 3.505 30 20 CHED N#CCC(=O)Nc1ccc(F)cc1Nc1ccccc1F 121923839 AMZQBYHMICDPKD-UHFFFAOYSA-N 287.269 3.561 30 20 CHED C=C[C@@H](CC(=O)N1CCC(C)CC1)c1ccccc1 122158296 HIRVNXLUEXFIMM-HNNXBMFYSA-N 257.377 3.605 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)s1 122186704 CUGPIYVETRZMHU-LLVKDONJSA-N 274.364 3.952 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(O)cc1F)c1ccccc1 124350198 MJLDINUBCQFWMV-GFCCVEGCSA-N 285.318 3.830 30 20 CHED COc1ccc(CNc2cnc3ccccc3c2)cc1C#N 124958882 NWAFNNMNUQHCGW-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(F)cc1C 125992500 DDWMALMKBLGZJF-UHFFFAOYSA-N 276.355 3.727 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CCC(=O)C[C@@H]1C 127486816 CBSNZXVCWVJXMT-DZGCQCFKSA-N 268.397 3.895 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](CN2CCCC2)C1 127838754 CPPUOEWLRMQMRI-QGZVFWFLSA-N 294.483 3.681 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(Br)cc2C#N)CS1 132698306 HTRMDKUBKCSNJX-GZMMTYOYSA-N 297.221 3.627 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1nc2ccccc2s1 134877530 VQHNEMIBCMRGQI-INIZCTEOSA-N 288.416 3.557 30 20 CHED CC1(C)CCN(Cc2ccccc2C(C)(C)C#N)C1 135261529 WOQXCRVLRPQZBR-UHFFFAOYSA-N 256.393 3.720 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)CCC3)s1 135683802 WXNNDGHVZUHWRT-UHFFFAOYSA-N 254.358 3.721 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2cccnc2)cc1Cl 136088414 XNOXZZFSSAFEHB-INIZCTEOSA-N 283.762 3.948 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)Cc2ccc(C)s2)c1 151813261 VAIIRQRUWZTLOB-LBPRGKRZSA-N 298.411 3.791 30 20 CHED C[C@@H](c1ccco1)N(C(=O)Nc1cccc(C#N)c1)C1CC1 152887813 HGLPIQDMWYYYSZ-LBPRGKRZSA-N 295.342 3.909 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)c1ccc(C(C)C)cc1 155649990 DJEPEYKEYWYQCF-CQSZACIVSA-N 275.392 3.754 30 20 CHED CC[C@H]1CCCCN1Cc1ccc(O[C@@H](C)C#N)cc1 157450955 OVYIZRWHZJODDF-HOCLYGCPSA-N 272.392 3.742 30 20 CHED N#Cc1ccc(N[C@@H]2CCOC3(CCCCC3)C2)c(F)c1 158869486 SELQQFPORKXURJ-CQSZACIVSA-N 288.366 3.991 30 20 CHED C=C(Cl)CN[C@H](CCC)c1cccc([N+](=O)[O-])c1 163361863 XEAITXYTYSGFTI-CYBMUJFWSA-N 268.744 3.778 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C 171241376 MMGBGZMQNIJFGC-MAUKXSAKSA-N 298.430 3.918 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@H](C)[C@@H]1C 172640193 AQGWQIKDXCLLQZ-KBPBESRZSA-N 273.376 3.512 30 20 CHED C#CCCCNC(=O)c1ccccc1Oc1ccccc1 172930488 DVFBWMAAYCJQCV-UHFFFAOYSA-N 279.339 3.622 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1ccc(C#N)cc1 172994453 GRMYEGPSCOOXTN-CRAIPNDOSA-N 298.430 3.918 30 20 CHED C[C@H]1CN(C(=O)c2cccc(CC#N)c2)[C@@H]1c1ccccc1 174021833 VBTWIDPSUSIGBF-KSSFIOAISA-N 290.366 3.586 30 20 CHED CC(C)c1nc(CCNCC(C)(C)CCC#N)cs1 174336323 YWMJYTCKCCPYMU-UHFFFAOYSA-N 279.453 3.729 30 20 CHED CSc1ccc(CN(CCC#N)CC2CC2)cc1 174694203 VGVNXTXBYHECKH-UHFFFAOYSA-N 260.406 3.534 30 20 CHED C=CCCCC(=O)Nc1nc2c(OC)cccc2s1 175155658 JTHGBLVEBVSQRY-UHFFFAOYSA-N 276.361 3.600 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)O[C@@H]1CC[C@@H](C#N)C1 179887830 TVMMJCGHBYBVNC-MNFCOICASA-N 289.762 3.979 30 20 CHED Cc1cnc(CSCc2ccc(C#N)cc2F)s1 180011564 MYBNUJUKDLPTCG-UHFFFAOYSA-N 278.377 3.896 30 20 CHED CC(C)n1cccc1C(=O)Nc1ccccc1O[C@@H](C)C#N 180348713 DEZKGDGQDNGTSJ-ZDUSSCGKSA-N 297.358 3.612 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 180368789 YALMWSVFINWXQM-NSHDSACASA-N 298.333 3.567 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl 181338998 PEESZSQPCBFVMD-MJVIPROJSA-N 278.783 3.703 30 20 CHED N#CCC[C@@H](N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 181577839 YLWAZXGNPJKKFJ-MWQQHZPXSA-N 254.377 3.810 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc(C#N)cc1 182269624 AAOIGSRDJDLAGK-VQHVLOKHSA-N 265.287 3.902 30 20 CHED CC#CCNc1cc(NC(=O)c2ccccc2)ccc1C 182302460 FETGYUZFNZSUNK-UHFFFAOYSA-N 278.355 3.683 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(CCOCC)CCCC1 182630575 PFDZKHOYNIZKKF-HNNXBMFYSA-N 281.440 3.834 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[C@@H](C)CC 182959913 DYNOPCNZKUCUFN-LSDHHAIUSA-N 286.419 3.979 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1C(=O)c1ccccc1 183051295 XNZNLKRNPGTPBK-UHFFFAOYSA-N 293.366 3.566 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1ccncc1F 184124910 JLFAIAQZWYDQCU-UHFFFAOYSA-N 291.351 3.502 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc(C)ccn1 184191207 SQDPIXBLDZHWGF-UHFFFAOYSA-N 261.369 3.600 30 20 CHED N#Cc1ccc(/C=C/c2sccc2Br)nc1 184887052 URSQEGAXBSZIRC-ONEGZZNKSA-N 291.173 3.948 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)N(CCC#N)C(C)(C)CC 187528256 FLUXEZCPTSOLRJ-OAHLLOKOSA-N 294.439 3.655 30 20 CHED CC[C@@H](CC#N)OC(=O)c1oc2ccccc2c1C 188058738 NILWAAJOZKIDOS-NSHDSACASA-N 257.289 3.590 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CC=CCC1)c1ccccc1 188133732 PVLQGAAGSGRPMN-HOTGVXAUSA-N 255.361 3.571 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cc(C#N)n(C)c1 189586201 IRSRFMFBIRDJDT-INIZCTEOSA-N 297.402 3.602 30 20 CHED N#Cc1ccc(OCc2ccccc2C#N)cc1Cl 190261664 DAWHAYSPPCNYQY-UHFFFAOYSA-N 268.703 3.662 30 20 CHED C=CCN(CC1CCCCC1)C[C@H]1CC2(CCC2)C(=O)O1 192021320 UBJQWRYWFAUKNU-MRXNPFEDSA-N 291.435 3.541 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 192069720 NOCSEFCRMANILB-AWEZNQCLSA-N 298.411 3.763 30 20 CHED CC(C)(C#N)CCCSCC1CCC2(CC1)OCCO2 192114028 HNKXTZZZYRBYCJ-UHFFFAOYSA-N 297.464 3.983 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 192116863 GNWKXVCGKZFXCA-JTQLQIEISA-N 287.281 3.729 30 20 CHED N#Cc1ccc(CN(C(=O)c2ccccc2F)C2CC2)cc1 193049940 IFFMXVSOUYOEJX-UHFFFAOYSA-N 294.329 3.502 30 20 CHED COCCOc1ccc(C(=O)/C=C\c2ccccc2)cc1 206988827 NKYDVGWMCLIIIC-GHXNOFRVSA-N 282.339 3.608 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1CCC2(CCCCC2)O1 229302871 BQSMMNUQWKNOKI-OAHLLOKOSA-N 288.366 3.991 30 20 CHED C=CCC[C@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1 230663524 TZWJOPZFCOMMBU-NFOMZHRRSA-N 296.455 3.767 30 20 CHED CC(C)C1(CNc2nc(Cl)c(C#N)s2)CC1 232755649 KSZACWMOOUHPEY-UHFFFAOYSA-N 255.774 3.516 30 20 CHED Cc1cc(C)cc(CCNCc2ccc(C#N)cc2)c1 237833764 QHXOBEARGVWTHX-UHFFFAOYSA-N 264.372 3.507 30 20 CHED COc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(C)c1 255443264 XZYNARBXKCTRMF-YFHOEESVSA-N 292.338 3.527 30 20 CHED C/C(=C/C(=O)O[C@@H](C#N)C1CC1)c1ccccc1Cl 255475814 XXNVYIJOWNBADL-GDAGCXPBSA-N 275.735 3.589 30 20 CHED Cc1ncccc1/C=C\C(=O)c1cccc(Cl)c1 255614892 NYEPSGXLBZGOPE-FPLPWBNLSA-N 257.720 3.940 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1ccc(F)cc1F 255644253 XMBIVVMEVJPYMU-ALCCZGGFSA-N 284.265 3.509 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccccc1F 255774695 QIXWMMHGYOCQID-WAYWQWQTSA-N 277.276 3.692 30 20 CHED COc1ccc(N/C(N)=N/[C@H]2C[C@@]2(C)C(C)C)cc1Cl 263027599 AYDVIQICUPGLHH-ZFWWWQNUSA-N 295.814 3.510 30 20 CHED CC(C)(NCc1ccc(OCC#N)cc1)c1ccccc1 264149860 QCSKRDSTFHZISK-UHFFFAOYSA-N 280.371 3.614 30 20 CHED CC(C)N(CCCSCC#N)Cc1ccc(F)cc1 266705434 GGNRILPRDJEFPK-UHFFFAOYSA-N 280.412 3.683 30 20 CHED CCN(CCC#N)Cc1coc(-c2ccc(Cl)cc2)n1 267045008 DWPIPYWZTSSWTF-UHFFFAOYSA-N 289.766 3.731 30 20 CHED Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)c(C)c1 269643994 YIVRVLBKCJASOL-UHFFFAOYSA-N 276.383 3.954 30 20 CHED CC(C)(CCC#N)CN1CC[C@H](c2cccc(F)c2)C1 271176492 UOHHVCBJGKIQDI-HNNXBMFYSA-N 274.383 3.945 30 20 CHED C=C(C)CCN(Cc1cccnc1)Cc1ccco1 274810060 HQUJILREPQXKLE-UHFFFAOYSA-N 256.349 3.643 30 20 CHED CCc1cnc(CN(C)CCCCC(C)(C)C#N)s1 277592440 DJIXMGJNGKGSSS-UHFFFAOYSA-N 279.453 3.857 30 20 CHED CC[C@@H](NCCC(O)(CC)CC)c1ccc(C#N)cc1 278815452 SCWWOAFCHSXEKC-MRXNPFEDSA-N 274.408 3.540 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1nc2ccccc2n1C 281543374 ITLXEAPPWSAKED-QWHCGFSZSA-N 257.381 3.579 30 20 CHED N#CCCSc1ccccc1NCCCCF 285347692 ZXWZKRSEOHNMSC-UHFFFAOYSA-N 252.358 3.854 30 20 CHED C=CCC[C@@H](NCCCOC(C)C)c1ccco1 285490031 CBPLBJCJQBXGJQ-CQSZACIVSA-N 251.370 3.692 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 285565821 UDZAREXAKQQFEJ-GUYCJALGSA-N 288.391 3.591 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1cc2ccccc2o1 292929656 WXTJVGJPNASFID-UHFFFAOYSA-N 271.360 3.994 30 20 CHED CSc1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 294438162 RVTSZTWLUWSTGF-INIZCTEOSA-N 286.400 3.821 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc(Cl)c(F)c2)CC12CCCC2 294594484 UNPFLIAOTNVVSS-OAHLLOKOSA-N 292.741 3.892 30 20 CHED CC(C)Oc1cccc([C@H](C)N[C@@H](C)CCC#N)c1 299184671 ADMAEIOPKAIQRR-KBPBESRZSA-N 260.381 3.817 30 20 CHED Cc1cc(CON=C2CCC3(CC2)OCCO3)c(C)s1 299229734 ZUOPNUKLCFDYQR-UHFFFAOYSA-N 295.404 3.555 30 20 CHED N#Cc1ccc(NCCCOC2CCCCC2)c(F)c1 301165207 VGINTFUSVJLUBR-UHFFFAOYSA-N 276.355 3.849 30 20 CHED Cc1cccc([C@H](C)Nc2nnc(C)c(C)c2C#N)c1C 301302157 RROXYNXNNHUCGM-AWEZNQCLSA-N 280.375 3.755 30 20 CHED CN(C[C@@H]1CCCCO1)c1ccc(C#N)cc1C(F)(F)F 301359354 ZUQXBHYKZHICEO-LBPRGKRZSA-N 298.308 3.582 30 20 CHED CC(C)COCCCNc1ccc2cc(C#N)ccc2n1 301802049 CPBYDTJNJBCVJB-UHFFFAOYSA-N 283.375 3.581 30 20 CHED C/C=C/c1ccc(Oc2cccc(C#N)n2)c(OC)c1 301806705 AHROULPNKWXQII-HWKANZROSA-N 266.300 3.787 30 20 CHED C=CCCC[C@@H](C)Nc1ncnc2c1cnn2C(C)(C)C 301981490 BCSJOUXAWRHXEJ-GFCCVEGCSA-N 287.411 3.738 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCc2cc(F)ccc21 302824275 GDATZDDVNINSON-MRXNPFEDSA-N 277.302 3.668 30 20 CHED Cc1ccccc1O[C@H](C)CNc1c(C#N)cccc1C#N 302903341 UMZKJCVBYMDSAD-CQSZACIVSA-N 291.354 3.618 30 20 CHED N#Cc1ccc(NCCOc2ccc(Cl)cc2)c(F)c1 303030004 XAGPCAODZNSYET-UHFFFAOYSA-N 290.725 3.842 30 20 CHED Cc1cc(C#N)cc(NCc2sc(C)nc2C)c1 308107574 IHGMHPMSRACTSX-UHFFFAOYSA-N 257.362 3.552 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1ccc(OCC#N)cc1)CC2 316753155 ZVPYXHSYTQZNFR-SFHVURJKSA-N 294.354 3.697 30 20 CHED Cc1nc2cccc(C(O)=Nc3c(C)noc3C3CC3)c2[nH]1 328692172 JAONORSRCRUTPX-UHFFFAOYSA-N 296.330 3.681 30 20 CHED O/C(=N/Cc1cscn1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 328705623 YTZRIULFOQFLEZ-RWMBFGLXSA-N 293.436 3.506 30 20 CHED C[C@H]1CCCCCN1C(O)=Nc1nccn1-c1ccccc1 328754007 SFAORTIUTPKLMM-AWEZNQCLSA-N 298.390 3.682 30 20 CHED O/C(=N/CC1CCCC1)c1coc(C2CCCC2)n1 328834922 WXMOKTCDTGLRTA-UHFFFAOYSA-N 262.353 3.827 30 20 CHED Cc1cnc(-c2cccc(N=C(O)[C@H]3C[C@@]34CCOC4)c2)o1 329601190 KMMHGBMHSHEQTJ-RHSMWYFYSA-N 298.342 3.665 30 20 CHED CC1(Cc2noc(C3(C#N)CCCC3)n2)CCCC1 329613268 RTQQOPMWLFTNFI-UHFFFAOYSA-N 259.353 3.528 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc2nccnc12 329684202 UBWYFCSBFIUOMH-MELADBBJSA-N 295.386 3.903 30 20 CHED N#CC1(N(C(=O)c2cccc3ccsc23)C2CC2)CCC1 334233035 NTXYSQMSWLDLKK-UHFFFAOYSA-N 296.395 3.952 30 20 CHED C[C@H](NC1CCC2(CCOCC2)CC1)c1cccc(C#N)c1 334337740 WLWFDQUAQKUIEC-HNNXBMFYSA-N 298.430 3.948 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2cccc(C(F)(F)F)c2)no1 334525122 FVDMUVRYQDKQQO-AMIZOPFISA-N 293.248 3.557 30 20 CHED CC1(C#N)CCC(NCc2cccc3c2CCCN3)CC1 335011021 FASCHBVNXCRJTN-UHFFFAOYSA-N 283.419 3.607 30 20 CHED C[C@@H](C#N)C(=O)N1CCC(c2cccc3ccccc23)CC1 335148794 ALDJNGXRISYYGA-AWEZNQCLSA-N 292.382 3.705 30 20 CHED N#CCC1CCN(Cc2cc(Cl)cs2)CC1 336529010 HPDFDGHCIQWYLT-UHFFFAOYSA-N 254.786 3.527 30 20 CHED N#Cc1ccncc1NCCc1cc2ccccc2s1 338750987 NWWNUWKLHMZOJT-UHFFFAOYSA-N 279.368 3.823 30 20 CHED C=CC[C@H](C)N[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 338777419 ZQHYJPJXMSOOKQ-XKQJLSEDSA-N 287.403 3.722 30 20 CHED CC(C)(C)OCCSCc1cccc(C#N)c1F 340855557 NXJALKSDGYLECV-UHFFFAOYSA-N 267.369 3.746 30 20 CHED CC(C)(CCC#N)CNc1c(F)cc(C#N)cc1F 340942595 WJZIEOCTNXILDC-UHFFFAOYSA-N 263.291 3.578 30 20 CHED N#Cc1c[nH]c2ccccc2c1=NCc1cccc2cc[nH]c12 341455115 CUGXVEIBEKSZPT-UHFFFAOYSA-N 298.349 3.622 30 20 CHED CCC1CCC(C(=O)N(C2CC2)C2(C#N)CCC2)CC1 341620248 PXGUJTNKMWRWRL-UHFFFAOYSA-N 274.408 3.640 30 20 CHED CCCOc1ccc([C@@H](C)NCCCCC#N)cc1OC 341649663 ZXVKNWKYEMLMTQ-CQSZACIVSA-N 290.407 3.828 30 20 CHED CCCOCc1ccccc1CNc1cc(C)nc(C#N)c1 341723504 RXRIVSLUCWWDSP-UHFFFAOYSA-N 295.386 3.800 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(-c2nnc(C)o2)cc1 343532302 VUIGYFZFYNVXJG-GFCCVEGCSA-N 299.374 3.520 30 20 CHED C=CC[C@H](CO)CN[C@H](CC1CC1)c1ccc(Cl)cc1 345275119 FAQCRADQVQNEAS-WMLDXEAASA-N 293.838 3.955 30 20 CHED COc1cc(C#N)ccc1CN(Cc1ccccc1)C1CC1 347236054 OGZHIKWVMVRVAX-UHFFFAOYSA-N 292.382 3.731 30 20 CHED N#Cc1cnccc1/C=C/c1c(F)cccc1Cl 349102441 AHZBGVQJBHFGLS-SNAWJCMRSA-N 258.683 3.916 30 20 CHED CN(Cc1cc(C#N)cs1)Cc1ccc(F)cc1F 349799843 BWGPVEMBVDLRNK-UHFFFAOYSA-N 278.327 3.530 30 20 CHED N#C[C@H](NC(=O)c1sccc1Cl)c1ccccc1F 352435721 SKNOVDLEFSOWCA-NSHDSACASA-N 294.738 3.535 30 20 CHED C=CCOCC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 356419146 HHVACKZIVYXSLD-HNNXBMFYSA-N 295.810 3.746 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)NCC(C)(C)CCC#N)C1 358678693 FEIGOIMNDDSOFZ-KBPBESRZSA-N 279.428 3.536 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@H](C)C[C@@H](C)C1 359249028 ZJGZLOUHXHIQGL-UONOGXRCSA-N 288.439 3.604 30 20 CHED C[C@H](NC(=O)CCCC#N)c1ccccc1C(F)(F)F 360026238 UZQLHSHICQXKOX-JTQLQIEISA-N 284.281 3.576 30 20 CHED CCCN(CC#N)CCCCCn1c(C)nc2ccccc21 361313381 JZGPXOCFMWEDQJ-UHFFFAOYSA-N 298.434 3.751 30 20 CHED CC[C@H](C)CC(=O)Nc1sc(C)c(C)c1C#N 362478935 FIXYLMOUMZOETA-QMMMGPOBSA-N 250.367 3.611 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 362804774 HHJKXXDVWZKNSE-CABCVRRESA-N 298.292 3.546 30 20 CHED C#CCCCC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 372952624 HCMKGQMLXUTMAF-MJGOQNOKSA-N 281.399 3.718 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)CCS1 380386294 YPFPGLAECAEWJI-LLVKDONJSA-N 280.824 3.539 30 20 CHED CCC[C@@H](CNc1ccc(C#N)cc1Br)OC 382339157 JKBDQJGTSLKRID-NSHDSACASA-N 297.196 3.548 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Cl)nc2ccccc12 393819642 NFMRVUPGFFPVBH-LLVKDONJSA-N 288.778 3.973 30 20 CHED Cc1ccc2oc(C(=O)N3CCC[C@H](CC#N)C3)cc2c1 397682559 KOEAXUGEQYMANV-CYBMUJFWSA-N 282.343 3.507 30 20 CHED C=CC[C@H](CC)NC(=O)CSc1cc(C)ccc1C 410136298 IPVNGOCUMGIQPQ-AWEZNQCLSA-N 277.433 3.866 30 20 CHED CN(CCCCC(C)(C)C#N)C1CC(OC(C)(C)C)C1 420998962 BNUGIXXRRPNMJU-UHFFFAOYSA-N 280.456 3.984 30 20 CHED Cc1cccc2cc(OCC3(C#N)CCC3)cnc12 421198292 LFYLKYRAEAGHGX-UHFFFAOYSA-N 252.317 3.616 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](CCCN)c1ccccc1 423513927 VURVHYWFSVPHTB-ZMSDIMECSA-N 260.425 3.657 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](C)C[C@H]1C 424216627 BDCYMLUDZYCGJK-ZIAGYGMSSA-N 288.439 3.747 30 20 CHED N#CCCCCN[C@H](Cc1ccncc1)c1cccs1 424271410 OYORUCVCTMUPKK-OAHLLOKOSA-N 285.416 3.710 30 20 CHED CC1(C)CCCN(Cc2cc(Cl)cs2)[C@@H]1C#N 425958835 HOGNVWSCRDBAEH-GFCCVEGCSA-N 268.813 3.916 30 20 CHED Cc1cccc(-n2ccnc2S[C@H]2CC[C@H](C#N)C2)c1 430102311 AAMATCRGOWEHIT-ZFWWWQNUSA-N 283.400 3.965 30 20 CHED CCc1occc1C(=O)N[C@H](CCC#N)c1ccccc1 430781180 ANCQGBGOOGINPJ-OAHLLOKOSA-N 282.343 3.617 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C#N)CCc1ccccc1 433236576 ZCOQVKOVIFUPJG-KBAYOESNSA-N 298.430 3.796 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 434017628 RWRWWOWXAXURHT-DOTOQJQBSA-N 298.430 3.714 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1ccnc2ccsc12 435603088 GUBUVMHZBUBRLX-FZMZJTMJSA-N 274.389 3.689 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc2ccccc2c1 435748959 HOZBWZFRANRDLL-OALUTQOASA-N 281.399 3.911 30 20 CHED CC(C)N(CCCCC(C)(C)C#N)CC(=O)OC(C)(C)C 444686742 SVLXDIUVMOLBRW-UHFFFAOYSA-N 296.455 3.759 30 20 CHED COc1ccc(CN2CCCC(C)(C)[C@H]2C#N)c(Cl)c1 444719814 RUULIIKUHLGROK-OAHLLOKOSA-N 292.810 3.863 30 20 CHED CC[C@H](NC[C@@H](CCO)CC(C)C)c1ccc(C#N)cc1 447559988 BQIAMUUVKNVJOP-WMZOPIPTSA-N 288.435 3.644 30 20 CHED CCOCc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 447589737 YVKOCOOCGUNHSD-ZBFHGGJFSA-N 258.365 3.717 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H]1CCOC2(CCC2)C1 449475112 FATIKVBQCRSQIV-KKUMJFAQSA-N 251.414 3.526 30 20 CHED C=CCC1(C(=O)NCC2(C3CC3)CC2)CCCCC1 450203712 HMCIOEGULHBAMS-UHFFFAOYSA-N 261.409 3.819 30 20 CHED N#Cc1ccc(SCC(=O)CC[C@H]2CCCCO2)cc1 450811416 OWXGYJPHNISEIC-OAHLLOKOSA-N 289.400 3.569 30 20 CHED N#CCCCCN1CCC(Cc2cc(F)ccc2F)CC1 451965999 NWTUJZVDXHAWIH-UHFFFAOYSA-N 292.373 3.913 30 20 CHED CC[C@H](N[C@@H](C)C(C)(F)F)c1ccc(C#N)cc1 453288958 MBULJEDMPZMACK-GWCFXTLKSA-N 252.308 3.643 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 453369660 QZWWZOZICQWBGJ-GFCCVEGCSA-N 278.352 3.610 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 454608634 ZLIUBHUQUNGDBR-PBHICJAKSA-N 298.430 3.822 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@]2(CCSC2)C1 454812126 PMFPZDLDMRAFGM-GOEBONIOSA-N 296.480 3.660 30 20 CHED CC1(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCCC1 455547984 KSDVAAQVMKDWJC-UHFFFAOYSA-N 298.430 3.823 30 20 CHED C=CCC1(NC(=O)C[C@H](C)SC)CCCCC1 456374420 WWOJVMXKNXTHEE-LBPRGKRZSA-N 255.427 3.523 30 20 CHED C=CCC1(NC(=O)CCc2ccco2)CCCCC1 456388981 WQKCMOFFUACWLM-UHFFFAOYSA-N 261.365 3.607 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@@H](C)n3ccnc32)CCCCC1 456417584 KRFVGFOHXKLUFZ-ZIAGYGMSSA-N 287.407 3.532 30 20 CHED CCSCc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 456491989 LRQPSBXAYTUVKG-OAHLLOKOSA-N 276.405 3.818 30 20 CHED C=C(CC)CNC(=O)N(CC)[C@H](C)Cc1ccsc1 459085657 VLNVULWSMSLODO-CYBMUJFWSA-N 280.437 3.677 30 20 CHED C=C(CC)CNC(=O)N(CC(C)C)C1CCCC1 459087061 WMHHZHJZMAIJSF-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@H](C)C1CC1 460956881 DCSWXHDGWOXKGX-CHWSQXEVSA-N 276.428 3.602 30 20 CHED CC#CCCSCc1cc(-c2ccccc2)on1 462362328 PYVXOMUDZXNDTG-UHFFFAOYSA-N 257.358 3.988 30 20 CHED C=CCOCCCC(=O)N1CC[C@H](C)C2(CCCCC2)C1 463040593 FGEYVHJGFYQKSM-INIZCTEOSA-N 293.451 3.788 30 20 CHED C=CCCOCCN[C@H]1C[C@@H](c2ccccc2)C1(C)C 464058987 VOBVNDUHQXPLLT-IRXDYDNUSA-N 273.420 3.751 30 20 CHED CC#CCCCC(=O)N(CC(C)C)c1cccc(OC)c1 464566089 LFZADZPBGVEGQR-UHFFFAOYSA-N 287.403 3.878 30 20 CHED CC(C)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 464812288 KCXMOFOFYSLFEF-IRXDYDNUSA-N 256.393 3.804 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CCCC)C1CCC1 464950831 KMXYDWLXGKZZBY-TZMCWYRMSA-N 252.402 3.609 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCCc1cccc(C#N)c1 467436760 ZYAOAHKQWKXTOS-KEYYUXOJSA-N 256.393 3.515 30 20 CHED C[C@H](CCC1CC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 469449322 APPSGYCENRTMKI-SNVBAGLBSA-N 291.782 3.912 30 20 CHED C=CCCCCNC(=O)CCCOc1ccccc1C 471687352 XBDSOCVGVGSZFY-UHFFFAOYSA-N 275.392 3.627 30 20 CHED C=CCC[C@@H](O)CN(CCC)[C@H](C)c1ccccc1OC 472795706 RTPKNCGSPCNFCU-HZPDHXFCSA-N 291.435 3.795 30 20 CHED C[C@H](NC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 474136774 YTOBTIKESXMDCY-XJKSGUPXSA-N 299.418 3.839 30 20 CHED C=CCOCCCOc1c(Cl)cccc1Cl 475947619 SPUPQLHRHDWUNH-UHFFFAOYSA-N 261.148 3.965 30 20 CHED C=CCCCC(=O)Nc1nc2ccc(C)cc2s1 479541245 VKHROUDQHAOYAS-UHFFFAOYSA-N 260.362 3.900 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCC(F)(F)C1 480095919 URDZVEKKJCDNFO-GFCCVEGCSA-N 259.340 3.627 30 20 CHED CC#CCCNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 483410796 UBNIGGJQXFDNMD-GOSISDBHSA-N 296.414 3.651 30 20 CHED Cc1cccc(-c2noc(-c3ccc(C#N)cc3)n2)c1F 485975833 GYDBYDJVUXYUFN-UHFFFAOYSA-N 279.274 3.723 30 20 CHED Cc1cccc(OCCCNCc2cccc(C#N)c2)c1C 486791186 KVGIJNASHSUTQK-UHFFFAOYSA-N 294.398 3.734 30 20 CHED CC#CCCNC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 488819437 SMLVHGZVVBPHRY-HUUCEWRRSA-N 269.388 3.506 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 502551325 KEZPTYYTBXBNCN-ZJUUUORDSA-N 264.756 3.832 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 504585980 QJHWGYLOOKJOLT-COPLHBTASA-N 278.783 3.703 30 20 CHED C[C@@H](C#N)CN(C)CCSc1ccc(Cl)cc1 506937578 BREDVUQDISAYCI-NSHDSACASA-N 268.813 3.524 30 20 CHED C=CCN(CC=C)Cc1ccc(OC)c(Cl)c1 513339696 WCVVBWVABNOKBD-UHFFFAOYSA-N 251.757 3.523 30 20 CHED C=C(C)CCNC(=O)CCCc1ccc(SC)cc1 519158776 AKNZPAUZPORUCU-UHFFFAOYSA-N 277.433 3.814 30 20 CHED CCN(CCOc1cccc2ccccc12)C[C@H](C)C#N 523370995 KAXOUSSQMJIVAO-OAHLLOKOSA-N 282.387 3.700 30 20 CHED C=CCC1(NCc2ncccc2Cl)CCCC1 528548214 AWLJBTRIYKLUBV-UHFFFAOYSA-N 250.773 3.714 30 20 CHED CC1CC(C#N)(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)C1 532323724 DVZQNLKZPGALRF-ZCDLSOSASA-N 296.414 3.507 30 20 CHED C=C(CC)CSCC(=O)Nc1cccc(Cl)c1 536881703 MYQDKVQILOYWFL-UHFFFAOYSA-N 269.797 3.978 30 20 CHED Cc1ccc(C#N)c(NC[C@@H](Nc2ccccc2)C(C)C)n1 536982913 FIHWYRVGVALIPB-QGZVFWFLSA-N 294.402 3.810 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCCC[C@H]1CC 537197063 IZSABRLRLLEIPK-CVEARBPZSA-N 281.440 3.834 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)c(C)s1 537323542 NPCSYMKRJQDGIW-LLVKDONJSA-N 251.395 3.840 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 537858788 SLCMDOORXDWFCL-MLGOLLRUSA-N 292.810 3.717 30 20 CHED CC(C)(NCCOc1ccc(C#N)cc1)c1cccc(F)c1 538213418 DJYFXOAMQZTCGW-UHFFFAOYSA-N 298.361 3.601 30 20 CHED N#CC1(CN[C@H](COc2ccccc2)c2ccccc2)CC1 538391269 RQYVJHLXGUZCJU-GOSISDBHSA-N 292.382 3.700 30 20 CHED CC(C)(C#N)CCOc1cccc(Oc2ncccn2)c1 539743763 JETPWVPXXSDMQN-UHFFFAOYSA-N 283.331 3.588 30 20 CHED C=CCCCCCN(C)Cc1ccc2c[nH]nc2c1 539825671 TVOHDSUDKLGKMJ-UHFFFAOYSA-N 257.381 3.741 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@H](C)Cc1cccs1 541250045 WDDCUNQFGPMSHD-OLZOCXBDSA-N 280.437 3.581 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(C#N)c(C#N)c1 541583232 LRTIXBNPLQMDLQ-GFCCVEGCSA-N 283.375 3.831 30 20 CHED CC(C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 541901316 WURDWWIPERLMQQ-MNOVXSKESA-N 297.185 3.515 30 20 CHED Cc1ccnc(N2CCc3cccc(F)c3[C@H]2C)c1C#N 547327098 XDFOFDKZAXTAIP-GFCCVEGCSA-N 281.334 3.525 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1CC 548996783 VZENNFUNIZSTGG-BPQIPLTHSA-N 283.415 3.920 30 20 CHED C[C@@]1(CNCc2ccc(C#N)s2)C[C@H]1c1ccccc1 549859589 JHELITOGFJFRLL-IRXDYDNUSA-N 282.412 3.903 30 20 CHED C=CCOc1ccc(CNC(=O)c2sccc2C)cc1 552245254 RGWNTBFBCUSQBF-UHFFFAOYSA-N 287.384 3.551 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(CSC)cc1 553236562 SHBYVEVVDGGKEW-INIZCTEOSA-N 277.433 3.768 30 20 CHED N#CCC[C@@H](C#N)CNCC1(c2ccc(F)cc2)CCCC1 554869240 OPTADTYXOSIWMT-HNNXBMFYSA-N 299.393 3.671 30 20 CHED CC(C)(C#N)CCCN1Cc2ccccc2OC(C)(C)C1 558176997 VTFJZHSYDMTPOE-UHFFFAOYSA-N 286.419 3.990 30 20 CHED N#Cc1cc(N[C@H]2CCC[C@H]2F)ccc1C(F)(F)F 559007271 FGJQQEHCKORFSH-NEPJUHHUSA-N 272.245 3.880 30 20 CHED C=CCC[C@H](CC)N[C@H](CN(C)C)c1ccc(F)cc1 562056253 QBECJXZXCDLNRC-DLBZAZTESA-N 278.415 3.763 30 20 CHED Cc1ccccc1C(C)(C)CNc1cccnc1C#N 564558839 LOTXKDHPVXFHDN-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)NCc1cccc(C#N)c1 566255531 BOPCEWNIQINUGG-OAHLLOKOSA-N 284.403 3.947 30 20 CHED Cc1ccoc1CN(C)c1ccc2cc(C#N)ccc2n1 568826486 ZFVCNNKWGHWPQY-UHFFFAOYSA-N 277.327 3.644 30 20 CHED C=CCCS(=O)(=O)Nc1cccc(-c2ccccc2)c1 569028289 GBXBTPIHKVEIMO-UHFFFAOYSA-N 287.384 3.671 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1ccc(C#N)c(F)c1 573170416 YIRDPORXBSUEAH-LLVKDONJSA-N 277.343 3.740 30 20 CHED Cc1ccc(CCCCC(=O)Nc2cccc(C#N)n2)cc1 575182968 QNRZMCFXTMOPRZ-UHFFFAOYSA-N 293.370 3.613 30 20 CHED CCC[C@H](C#N)NC(=O)c1sc2cc(F)ccc2c1C 575832502 FLUPSMCADCZDSV-LLVKDONJSA-N 290.363 3.771 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCc1cccc(F)c1F)CC2 577546801 FNDZNYPRHXMVKC-KRWDZBQOSA-N 298.336 3.656 30 20 CHED CC1(Cc2noc(COc3ccc(C#N)cc3)n2)CCCC1 579891696 CXPSOLNCUKFWLV-UHFFFAOYSA-N 297.358 3.643 30 20 CHED C=CCOCCN[C@H]1CCCC[C@H]1Cc1ccccc1 581739317 XSARIJYQKAIKAI-ROUUACIJSA-N 273.420 3.580 30 20 CHED Cc1ccccc1NC(=O)[C@@H](C)SCC1(C#N)CCC1 583134110 BGCHRRVNBZPAPK-CYBMUJFWSA-N 288.416 3.749 30 20 CHED N#CCCCCCC(=O)Nc1ccc(OCC2CC2)cc1 588158002 ZKDPJYHEXGFIAL-UHFFFAOYSA-N 286.375 3.888 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C#N)s2)c1F 588619078 IXRQIKMWVMMSOP-ALCCZGGFSA-N 287.315 3.664 30 20 CHED N#CC[C@@H](CC(=O)N1CCC(C2CC2)CC1)c1ccccc1 590424695 DIDJIOFQESHVHG-SFHVURJKSA-N 296.414 3.723 30 20 CHED CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1ccccc1 593948304 IYCRWIXFWGWUPD-HNNXBMFYSA-N 292.382 3.790 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cccc(C(C)(C)C)c1 593999745 ICWKUGJGUJDZNX-HNNXBMFYSA-N 272.392 3.652 30 20 CHED CN(CCc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 595290178 JBRKONXAWKVWLZ-LJQANCHMSA-N 276.383 3.720 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H](CC#N)C1 595510327 ASRCLSQLUVGJSS-KBPBESRZSA-N 279.428 3.536 30 20 CHED C[C@@H](C#N)N(Cc1ccc2ccccc2c1)C1CC1 595722109 ZZHAKBYARSFNCR-ZDUSSCGKSA-N 250.345 3.716 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](CC#N)C2)C1 596266894 XZMCEIKVCLKRFY-ARFHVFGLSA-N 291.439 3.536 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 596742673 WRHUPWTXXZSRRJ-UONOGXRCSA-N 262.397 3.545 30 20 CHED CC[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 597259750 HRCQYHNKZZEJQP-HNNXBMFYSA-N 276.424 3.889 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1cc(Cl)cc(Cl)c1 597855493 RRTLPGZVIJHZFD-ZDUSSCGKSA-N 285.174 3.549 30 20 CHED C=CCCSCCNC(=O)[C@H](CC)OC1CCCCC1 597968131 CVMPKNGLSOWKTH-HNNXBMFYSA-N 299.480 3.540 30 20 CHED CCCc1ccc(CN(CCC#N)C(C)C)s1 598678337 INSIXTMXUDSBCO-UHFFFAOYSA-N 250.411 3.825 30 20 CHED C[C@@H](CC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccco1 599711248 SSJPIBIGQUGYQY-HOCLYGCPSA-N 296.370 3.934 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc2[nH]ccc2c1 600118138 RFVOPQLPBDWPCF-UHFFFAOYSA-N 269.392 3.930 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2sccc2C#N)C1 600226236 KEQHVIYBXAMAMY-UHFFFAOYSA-N 276.405 3.661 30 20 CHED N#Cc1cc(F)cc(NCc2csc(C3CC3)n2)c1 601063518 DWVYPBRWJBVKHS-UHFFFAOYSA-N 273.336 3.643 30 20 CHED N#C[C@H](CCc1ccccc1)Sc1nc2c([nH]1)CCC2 601082863 SQQOKPZAKPHNER-ZDUSSCGKSA-N 283.400 3.515 30 20 CHED Cc1cccc(-c2nsc(N3CCC(CC#N)CC3)n2)c1 601139292 DQRJKYGAPZRSET-UHFFFAOYSA-N 298.415 3.644 30 20 CHED CC[C@@](C)(NC[C@@H](C)CCC#N)c1nc(C)cs1 602545545 FFOSDVOWIFSDCJ-SMDDNHRTSA-N 265.426 3.606 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(OCC(C)C)c1 604905475 ADXDLXCKXVUUSV-CYBMUJFWSA-N 276.380 3.808 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccc(F)c(F)c1 606975432 KZEJDFBIPISMMR-UHFFFAOYSA-N 296.361 3.853 30 20 CHED C[C@@H]1CCCC[C@H]1CNc1ncc(C#N)cc1Cl 608885336 LHAOMFQHPMXWNR-PWSUYJOCSA-N 263.772 3.845 30 20 CHED CC[C@@H](CC(=O)N[C@@H](C)c1cccc(C#N)c1)C(C)C 610360557 ZETOHAAFSZVUEI-ZFWWWQNUSA-N 272.392 3.808 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@H](C)c2cccc(C#N)c2)C1 610362526 RXTXEAIWPQDBCG-KFWWJZLASA-N 284.403 3.952 30 20 CHED CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 610496672 IRYQSVVJWXQNAD-VSZNYVQBSA-N 296.414 3.722 30 20 CHED N#Cc1ccc(Cl)cc1OCc1noc2c1CCCC2 610769447 KNUOOKVMOGXXOE-UHFFFAOYSA-N 288.734 3.657 30 20 CHED CC[C@H](Cc1cccs1)NCc1cccc(C#N)c1 610798924 SZRNHCATCRQUCT-OAHLLOKOSA-N 270.401 3.731 30 20 CHED N#Cc1ccc(CNCCCCc2ccccc2)c(F)c1 610946728 JJDVVUXLNRGFCN-UHFFFAOYSA-N 282.362 3.810 30 20 CHED CCCC(CCC)C(=O)N[C@H](C)c1cccc(C#N)c1 611073000 IQSOUAGDLDWWSY-CYBMUJFWSA-N 272.392 3.952 30 20 CHED N#Cc1cccc(CN2CC[C@@H]2c2cccc(F)c2)c1F 611372076 WKXXKEFFJLCVAZ-MRXNPFEDSA-N 284.309 3.783 30 20 CHED CC(C)C(NC(=O)c1ccc(C#N)c(Cl)c1)C(C)C 614506559 NIKNNJQVKSRTQZ-UHFFFAOYSA-N 278.783 3.622 30 20 CHED C[C@@H](CCNC(=O)N1CCC[C@](C)(C#N)C1)CC(C)(C)C 615477835 HGCMPSQJDJHZHL-WMLDXEAASA-N 293.455 3.784 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)[S@@](=O)CCC(C)(C)C#N 616184071 PYSSNZZGXVNICY-OVWNDWIMSA-N 285.359 3.714 30 20 CHED CCn1ccc(CN(C)Cc2ccc(C#N)cc2Cl)c1 616786086 FYXQQIJZEDAGCO-UHFFFAOYSA-N 287.794 3.665 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 618730290 CJUOLYUGOIDIBL-VNVHMNPZSA-N 296.414 3.734 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc2c1ccn2C 620861314 LHGNJRDNINVQIV-UHFFFAOYSA-N 270.376 3.653 30 20 CHED C=CCNC(=O)Nc1ccc2oc3ccccc3c2c1 642394382 NQOHHMSKBNALRN-UHFFFAOYSA-N 266.300 3.894 30 20 CHED C=CCCNCc1csc(COc2ccc(C)cc2)n1 657583057 WNIMPVIHIIYQGL-UHFFFAOYSA-N 288.416 3.696 30 20 CHED C=CCCNC(=O)N[C@H](CC)c1ccc(Cl)s1 661570387 FGTVWVJPJXQHBP-SECBINFHSA-N 272.801 3.728 30 20 CHED C=CCN(Cc1ccn(C2CCCC2)n1)C(C)(C)C 661756045 APTYKEUJKRQOGB-UHFFFAOYSA-N 261.413 3.785 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(C(=O)C(C)(C)C)CC1 678698441 SVHXUVGAHJOOMF-OAHLLOKOSA-N 294.483 3.748 30 20 CHED CC#CCCN1CCCC[C@@H]1c1ccccc1OC 680884140 OKQZONXZRCNXKZ-MRXNPFEDSA-N 257.377 3.636 30 20 CHED CCCCCCC[C@H](C)NC[C@@](C)(O)C(F)(F)F 705022334 TWMZDBJGEMEILO-NWDGAFQWSA-N 269.351 3.638 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1cc2ccccc2[nH]1 728612841 LPBZSUMNSSEFMI-UHFFFAOYSA-N 294.285 3.536 30 20 CHED N#C[C@@H](C(=O)C1CCCC1)c1nc2cc(F)ccc2s1 730421776 PJRNGIRLNQYBMC-NSHDSACASA-N 288.347 3.802 30 20 CHED C#CCCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730690056 AXVPEEFNSCGENL-NEPJUHHUSA-N 283.154 3.663 30 20 CHED CC[C@H](C#N)Oc1cccc(C/N=C\c2ccccc2O)c1 733748967 OWYVRMFENAMONY-FPXKJXHESA-N 294.354 3.692 30 20 CHED Cc1noc(C)c1C[C@@H](C)/N=C\c1cc(Cl)ccc1O 737443669 KRTKCLMXPKLTHR-QQWZZVHASA-N 292.766 3.701 30 20 CHED CCO[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2O)C12CCC2 741465708 XQBZVTFWNPBQRA-CKUJSUPYSA-N 293.794 3.812 30 20 CHED Cc1nc(Cl)cc(NN=C2CCCc3ccccc32)n1 741763633 BXBSCIUSFVYRHX-UHFFFAOYSA-N 286.766 3.591 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)N(C)C[C@H](C)C#N 742572786 GLRBCPYKNYRESE-GDBMZVCRSA-N 266.429 3.991 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H](C)c1ccc(C)o1 742641257 DRKCKIHRESIQBJ-CQSZACIVSA-N 290.407 3.870 30 20 CHED C[C@H](N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc(C#N)cc1 743473601 OSRANMPWQYLGEI-JBBXEZCESA-N 280.346 3.904 30 20 CHED Cc1cc(NC[C@H](C#N)CCC#N)ccc1OC(C)C 743478866 DMQFOJCSHMBZGC-AWEZNQCLSA-N 271.364 3.638 30 20 CHED Cc1c(C(=O)OCC2(CC#N)CC2)oc2ccccc12 744279609 UXSDXTYPLOLKMU-UHFFFAOYSA-N 269.300 3.592 30 20 CHED C#Cc1cccc(NC(=S)N2CC[C@@H](CC(C)C)C2)c1 745173394 QMBGEYWXDYAVLE-HNNXBMFYSA-N 286.444 3.733 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C/C=C\c1ccco1 747060156 KANZQBFUYGULOB-RUJLQFJVSA-N 271.276 3.607 30 20 CHED CN(Cc1cccc2ccccc12)C(=O)C#Cc1ccccc1 747208461 XUKBJGYWIDUMLV-UHFFFAOYSA-N 299.373 3.850 30 20 CHED Cc1cc(C)c(NN=Cc2cc(C#N)cs2)c(C)c1 748075300 HHADXCRAFLHAKP-UHFFFAOYSA-N 269.373 3.991 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)c(F)c1 748995118 WDIRFWHGSUXGBA-QHHAFSJGSA-N 291.709 3.779 30 20 CHED O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])Cc2ccccc21 750896230 OREPYAACQQJZOJ-MSNJMMSUSA-N 291.306 3.973 30 20 CHED COc1ccc(NN=Cc2cccc(C)c2C)cc1 750922590 REUYMKGJHSCFRN-UHFFFAOYSA-N 254.333 3.758 30 20 CHED COc1cc(C)c(/C=C/C(=O)c2cccc(O)c2)cc1OC 751513627 ROYOWKSDIZUFMJ-BQYQJAHWSA-N 298.338 3.614 30 20 CHED COCC#CCSc1nc(-c2ccccc2)cs1 753862999 RXRHCFCDTGWMPD-UHFFFAOYSA-N 275.398 3.552 30 20 CHED C=CCc1cc(CN(CC)CC(C)C)c(O)c(OC)c1 754727432 ZLILWUVIHMPEAO-UHFFFAOYSA-N 277.408 3.607 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1C#N)CC2 755600248 HJOMBQHZOMOYSB-GDNBJRDFSA-N 289.334 3.779 30 20 CHED CCCC(Cc1ccccc1)=NO[C@H]1CCCCO1 755822683 HSDWGNHNXRCUQC-INIZCTEOSA-N 261.365 3.928 30 20 CHED C/C(C=NNc1cc(C)ccn1)=C/c1ccccc1 755904576 ZBZJXYNWFGSDMP-ZHISUADHSA-N 251.333 3.891 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(OCCC)cc1)OCC 756486144 FVOIUIIZXZZRGJ-INIZCTEOSA-N 292.375 3.752 30 20 CHED N#Cc1ccc(OC(=O)C2(Cc3ccccc3)CCC2)cc1 757528108 UFIPNJDYABAGLK-UHFFFAOYSA-N 291.350 3.877 30 20 CHED C#CC[C@@H](NC(=O)CSCCC(C)C)c1ccccc1 757596471 IGUXOZSFTQTJMZ-MRXNPFEDSA-N 289.444 3.647 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 757939529 STLXLWRWYDRJGW-UHFFFAOYSA-N 294.354 3.924 30 20 CHED CC[C@@H]1CCCC1=NNC(=S)Nc1ccc(OC)cc1 758362255 RJRKTUFEWFLSHD-LLVKDONJSA-N 291.420 3.548 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)C1CCCCC1 759076993 UYBQMCCHRWZLBE-VOTSOKGWSA-N 255.770 3.959 30 20 CHED COc1cccc(NN=Cc2cnc(C3CCC3)s2)c1 760240323 XGFKNEPHDFDOML-UHFFFAOYSA-N 287.388 3.865 30 20 CHED C#CCCNc1ccc(Cl)cc1OCC(F)(F)F 760297486 YAXAOYQWUMPXMP-UHFFFAOYSA-N 277.673 3.716 30 20 CHED C/C=C(/C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 760987482 PUTLUNWXKQIIIC-GJQXAKHRSA-N 274.320 3.578 30 20 CHED C#CCOc1cccc(-c2noc(-c3cc(C)oc3C)n2)c1 761781405 GZXKWVDAVUCVPJ-UHFFFAOYSA-N 294.310 3.625 30 20 CHED Cc1ccc(C=NNc2cccc(Br)c2)nc1 761803466 BTCHNYBUULGTGO-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C#CCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C)C1CC1 764676975 PGNNUFZSLKNWPO-MRXNPFEDSA-N 284.403 3.581 30 20 CHED C#CCCCn1ccc(-c2ccc(Br)cc2)n1 766748485 BWQWWGPIIDZCJB-UHFFFAOYSA-N 289.176 3.726 30 20 CHED C#CCCCOC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 766864753 YTNPYNORRJAFLG-GOEBONIOSA-N 258.361 3.773 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2c3c(cccc13)CC2 767048347 SMQRNXPLBYLFIO-UHFFFAOYSA-N 277.367 3.926 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H](c1cccc(Cl)c1)C(C)C 767231500 DTAHYHGPLJGTPO-WFASDCNBSA-N 277.795 3.560 30 20 CHED Cc1ccc(C2=CCN(Cc3ccc(C#N)o3)CC2)cc1 768214442 LSQAJZKTNCYWDU-UHFFFAOYSA-N 278.355 3.749 30 20 CHED CCCOc1ccc(N=Cc2cccc(OC)c2O)cc1 768267760 DICLTOITAIFGDA-UHFFFAOYSA-N 285.343 3.940 30 20 CHED COc1ccc(CC(=O)OCCCCC(C)(C)C#N)cc1 768537365 BOFOLMOSRHKQHE-UHFFFAOYSA-N 289.375 3.501 30 20 CHED COc1cccc(NC(=S)NN=C(C)CCC2CC2)c1 768766382 ALJIJGCSFYFOOF-UHFFFAOYSA-N 291.420 3.548 30 20 CHED C#CCN(CC)Cc1cc(Cl)c(OCCC)c(OC)c1 769103938 DXRYRPRAHBYUCC-UHFFFAOYSA-N 295.810 3.593 30 20 CHED Cc1cc(F)ccc1C(=O)OCc1cc(F)ccc1C#N 771406988 QAWMULHIUOPUKO-UHFFFAOYSA-N 287.265 3.502 30 20 CHED N#Cc1ccccc1COC(=O)[C@@H]1CCCc2sccc21 771415205 AZSCUVWLBIGPQA-OAHLLOKOSA-N 297.379 3.783 30 20 CHED C#CCCCCNC(=O)N1C[C@H](C(C)C)c2ccccc21 774911914 IOFMQSFICVKUEC-MRXNPFEDSA-N 284.403 3.759 30 20 CHED CC(C)[C@H](O)C1(C/N=C/c2c(O)ccc3ccccc23)CC1 775628898 BCTMHCTXFKPSHY-PQFHHTBUSA-N 297.398 3.761 30 20 CHED N#CC1(COC(=O)c2cc3cccc(Cl)c3o2)CC1 775864835 SCOJEZFAKMYGEV-UHFFFAOYSA-N 275.691 3.547 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(CC)s1 775922660 BYDUJDZTSKSRDS-LLVKDONJSA-N 251.395 3.785 30 20 CHED CCCC1(C(=O)OCc2ccc(CC#N)cc2)CCC1 776113208 NHTXINHFQGRMRJ-UHFFFAOYSA-N 271.360 3.766 30 20 CHED CCn1cc(CC(=O)OCCC(C)(C)C#N)c2ccccc21 776383141 LYYRYTASSJPXTP-UHFFFAOYSA-N 298.386 3.687 30 20 CHED C[C@@H](CCc1cccc(F)c1)C(=O)OCCC(C)(C)C#N 776389758 AECSGHUADYIOCT-ZDUSSCGKSA-N 291.366 3.877 30 20 CHED Cc1ncccc1C=NN[C@@H](Cc1ccccc1)C(C)C 777449445 VPCDNGUEOHXCLJ-SFHVURJKSA-N 281.403 3.581 30 20 CHED C=C(C)CNc1cc(Cl)ccc1OC[C@H]1CCOC1 777620834 WKHFVCJFGROONS-LBPRGKRZSA-N 281.783 3.743 30 20 CHED CC(=NNCCOC(C)C)c1cc(Cl)sc1Cl 778549895 HRXNPRVGTOOMDG-UHFFFAOYSA-N 295.235 3.794 30 20 CHED CCCCCCCC(=O)N1CCC[C@H](OCC2CC2)C1 779073906 QNMOXTBFMQPIPT-INIZCTEOSA-N 281.440 3.765 30 20 CHED CC(CCCC(C)C)=NN[C@@H]1CCOC(C)(C)C1 780249620 JAPQZKPSLOFESR-CQSZACIVSA-N 254.418 3.736 30 20 CHED CC[C@H](C#N)OC(=O)Cc1cc2c(ccc3ccccc32)o1 781198423 UZGKFDURKLWYPY-CYBMUJFWSA-N 293.322 3.974 30 20 CHED COc1cc(F)cc(NN=Cc2cc(Cl)cs2)c1 782248997 GNTSQPIACIHGSE-UHFFFAOYSA-N 284.743 3.995 30 20 CHED CSc1ccccc1CC(C)=NO[C@H]1CCCCO1 782906654 AYIJGGCBHMJNLK-HNNXBMFYSA-N 279.405 3.870 30 20 CHED CC(C)(C)CCNN=Cc1cc(O)ccc1Br 782908230 SSWLWLPLFIAFFI-UHFFFAOYSA-N 299.212 3.514 30 20 CHED CC(C)(C#N)CCCOC(=O)CCCc1ccccc1 782934027 PCAPDYOICZJDFW-UHFFFAOYSA-N 273.376 3.882 30 20 CHED CCC(CC)C(=O)N1CCC(=NOCCC(C)(C)C)CC1 783553121 JUPCPOGURBUPCR-UHFFFAOYSA-N 296.455 3.854 30 20 CHED Cc1ccccc1C=NOCc1ccc(F)cc1C 784046279 RLKWCLRWUKMOMM-UHFFFAOYSA-N 257.308 3.993 30 20 CHED CCS[C@H](C(=O)OCc1ccc(F)c(C#N)c1)C(C)C 785817490 AYUXZOAWLKUIDB-AWEZNQCLSA-N 295.379 3.518 30 20 CHED C=CCCN(C)c1nc(-c2cccnc2)nc2ccccc12 786090812 MFCSCJFZPAZNPU-UHFFFAOYSA-N 290.370 3.704 30 20 CHED N#CCCNC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 787348938 AIHNOPXIFNVOTC-CPFIRTDXSA-N 297.402 3.568 30 20 CHED CCCCOc1ccc(C(C)=NOC[C@H]2CCOC2)cc1 789051171 QMDDSKWZNZSHSF-HNNXBMFYSA-N 291.391 3.643 30 20 CHED CC(C[C@H]1CCOC1)=NN1CCC(C(C)(C)C)CC1 790178527 ABYYPDDZWVUHKL-CQSZACIVSA-N 266.429 3.547 30 20 CHED CC(C)n1cc(C=NN2CCC(C(C)(C)C)CC2)cn1 790178614 FBIXCNRXMJVGGJ-UHFFFAOYSA-N 276.428 3.556 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)CCC1 790660456 XJDHCFFOQVQHIB-UHFFFAOYSA-N 297.358 3.730 30 20 CHED C#C[C@@H](CCC)NC(=O)NCc1csc2ccccc12 791014031 VVVHSYPLBOYZIU-ZDUSSCGKSA-N 286.400 3.502 30 20 CHED C[C@@H](OC(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1 792306676 RBWCDLJWWFBCDL-SNVBAGLBSA-N 287.265 3.754 30 20 CHED CC1(C)CCCN(C(=O)[C@@H](F)CC2CCCCC2)[C@H]1C#N 793967896 GVAOEVKHNBXJKU-GJZGRUSLSA-N 294.414 3.836 30 20 CHED FC(F)(F)CCNN=Cc1nc(-c2ccccc2)cs1 794553615 VJYVFMRCCJPAIW-UHFFFAOYSA-N 299.321 3.686 30 20 CHED COc1cc(C=NOCc2c(C)cccc2C)cc(OC)c1 794725514 GSQBVCKUGTVMNM-UHFFFAOYSA-N 299.370 3.871 30 20 CHED C[C@H]1CSCC1=NNc1ccccc1C(F)(F)F 794854594 IUMUDOGWCGRRPM-QMMMGPOBSA-N 274.311 3.856 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cn1)c1cccc(C)c1 794894460 GQXXIVOSNJIQBK-UHFFFAOYSA-N 284.319 3.524 30 20 CHED C[C@@H]1CCC[C@H](C=NNCc2ccccc2N(C)C)C1 794948886 GVCZMKMIYHXADE-CABCVRRESA-N 273.424 3.654 30 20 CHED COCCCON=C1CCCOc2c(C)cc(Cl)cc21 795048119 HNZLIRDIJZPKGW-UHFFFAOYSA-N 297.782 3.578 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)OCCCCC#N 797026756 VVZXGGLJANPHHC-CQSZACIVSA-N 284.359 3.514 30 20 CHED CC[C@@H](C)COC(=O)C(C)(C)c1cc(F)cc(C#N)c1 797224663 ZNBNUKITPYRABT-LLVKDONJSA-N 277.339 3.564 30 20 CHED CC1=CC(=NNc2ncnc(Cl)c2C(C)C)CC1 797405153 NCYGNTZHSTVWFT-UHFFFAOYSA-N 264.760 3.761 30 20 CHED Oc1cccc(/C=N/[C@H]2C[C@H](c3ccccc3F)C2)c1O 797785099 SZVDQAVKXWWXAY-HLNBCSADSA-N 285.318 3.602 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccc(C(C)=O)cc1 798376408 XZMGSVSPBQSDAJ-ZDUSSCGKSA-N 276.405 3.530 30 20 CHED C=CCN1CC[C@@H](Nc2ccc(C(C)(C)CC)cc2)C1=O 798389526 FVNJQZGXSDRNPH-MRXNPFEDSA-N 286.419 3.573 30 20 CHED COCCCC(=NOC1CCCC1)c1ccc(F)cc1 799484784 HUNJOEANYLKDOL-UHFFFAOYSA-N 279.355 3.916 30 20 CHED Cc1cc(Cl)nc(CNc2ccc(C#N)cc2F)c1 799965353 ZIDZRXGMJLCMRO-UHFFFAOYSA-N 275.714 3.666 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cn(C)cn1)CC2 800794988 VSVZCVUIECANSF-OVCLIPMQSA-N 280.371 3.756 30 20 CHED C=C(Cl)COC(=O)c1oc2c(F)cccc2c1C 804192575 FJCDOTLAYZAWCZ-UHFFFAOYSA-N 268.671 3.790 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CCC[C@H]2C[C@@H]21 804290455 HKPPLRZYRZJRIZ-ULQDDVLXSA-N 295.467 3.889 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2ccccc2c1 806092964 IYEXFXLWZCPNEN-OAHLLOKOSA-N 266.344 3.763 30 20 CHED C#C[C@H](NC(=O)N(C)Cc1cc2ccccc2o1)C(C)(C)C 808317403 RHCIOZSHZNOVGM-INIZCTEOSA-N 298.386 3.622 30 20 CHED N#Cc1cc(NC(=O)/C=C/c2ccccc2)nc2ccccc12 809072496 OXMYPCIBJZVNBY-ZHACJKMWSA-N 299.333 3.758 30 20 CHED C#Cc1ccc(CNc2cccc(Cn3cccn3)c2)cc1 809537800 RYXIBWYICFSMRI-UHFFFAOYSA-N 287.366 3.525 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@@H](c2ncccc2C)C1)C(C)C 809685923 ZOUDZINLAYXVRS-ZACQAIPSSA-N 270.420 3.664 30 20 CHED Cc1ccc(CCC(=O)OCCCC(C)(C)C#N)s1 811255138 BTMXKCSPGCKGLO-UHFFFAOYSA-N 279.405 3.862 30 20 CHED COc1cccc(NN=Cc2ccc3[nH]ccc3c2)c1 811636459 HGPGZBSOGCQCQI-UHFFFAOYSA-N 265.316 3.623 30 20 CHED N#Cc1c(F)cccc1/C=C1/CCc2cc(O)ccc2C1=O 811690244 YCCXNXUKMKPZQA-JYRVWZFOSA-N 293.297 3.615 30 20 CHED COCC(=NNc1c(C)cccc1C(C)C)C1CC1 812233276 UPAZUOVCJWYAIJ-UHFFFAOYSA-N 260.381 3.943 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1csc2ccccc12 812502930 RCMRQRBWGONPMW-LLVKDONJSA-N 272.373 3.772 30 20 CHED CCCCCC[C@H](CC)C(=O)NC1(C#N)CCSCC1 813098052 OPOCSLAQBVETFF-AWEZNQCLSA-N 296.480 3.889 30 20 CHED CCC(=NNc1ccc(C)cn1)c1ccc(F)cc1F 814831933 XXVHGIVYLZPMJX-UHFFFAOYSA-N 275.302 3.894 30 20 CHED Cc1sccc1C=NNc1ccc(Br)nc1 814847357 KIAUWVZHGKSFPI-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C[C@@H](C=NN1Cc2ccccc2C1=O)C1CCCCC1 814902386 LITKWNHKVIYQIO-ZDUSSCGKSA-N 270.376 3.845 30 20 CHED Nc1ccc2c(c1)C(=NOCc1ccc(F)cc1)CCC2 814903586 QDRVPATUOYNBPZ-UHFFFAOYSA-N 284.334 3.665 30 20 CHED CCOc1ccc(NN=Cc2ccsc2C)cc1 814984758 HEKFZBMMSBMSJL-UHFFFAOYSA-N 260.362 3.901 30 20 CHED C=CCC(C)(C)c1noc(CC2CCC(OC)CC2)n1 815705054 WTJFAQGSRTYJGS-UHFFFAOYSA-N 278.396 3.671 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C 815888561 QYLZEEHNDRMFKE-SMDDNHRTSA-N 279.330 3.638 30 20 CHED N#Cc1ccccc1OCC[C@H]1CC1(Cl)Cl 818059686 OKTXWORVKUSFGO-JTQLQIEISA-N 256.132 3.521 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(O)c1Br 821375753 YTXKLCGPEQPSOI-SECBINFHSA-N 298.180 3.696 30 20 CHED CC(C)C#CC(=O)NCC(C)(C)c1cccc(Cl)c1F 832302305 OFTAJFLBJULEEM-UHFFFAOYSA-N 295.785 3.532 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1ccc2c(c1)CCO2 834870099 GDKRDKRVIDUASI-DJWKRKHSSA-N 286.277 3.796 30 20 CHED CCC(=NNc1ncnc2sccc12)C1CCC1 834933511 CSKMRLJLMCIYBS-UHFFFAOYSA-N 260.366 3.669 30 20 CHED C=CCC1(CNC(=O)N[C@@H](C)c2ccc[nH]2)CCCC1 836380654 PBXWKUWLLZYTTA-ZDUSSCGKSA-N 275.396 3.511 30 20 CHED CC(C)OCc1cccc(NC(=O)C#CC(C)(C)C)c1 837365973 QEMPILVCMWXDLY-UHFFFAOYSA-N 273.376 3.600 30 20 CHED C=CCCc1ccccc1NC(=O)C#CC(C)(C)C 837603722 VJWNDXYWQACCQG-UHFFFAOYSA-N 255.361 3.793 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2OCC2CC2)C1 839052102 PERXCCMJUJUYLB-HUUCEWRRSA-N 299.370 3.715 30 20 CHED C[C@@H](C#N)OCCN1CC2(CCCCC2)[C@H]1c1ccccc1 839184724 NPJYFTVEARFFAS-FUHWJXTLSA-N 298.430 3.922 30 20 CHED CCCSCC(=O)Nc1cc2ccccc2cc1C#N 839434195 AMNDRTANHJPREL-UHFFFAOYSA-N 284.384 3.793 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)oc1C 840719399 IPSOBPQJEFDHBY-VOTSOKGWSA-N 284.359 3.880 30 20 CHED Cc1ccc(N(C)C(=O)[C@]2(C#N)CC23CCCC3)c(F)c1 841325717 LEXZPIOSFQMWKK-QGZVFWFLSA-N 286.350 3.571 30 20 CHED CC(CCCO)=NNc1cccc(Cl)c1Cl 841645749 RRCGWAMVRSQUSA-UHFFFAOYSA-N 261.152 3.554 30 20 CHED C#C[C@@H](OC(=O)CC1CCSCC1)c1ccc(F)cc1 842407616 OOMUJHKPKMGEFA-OAHLLOKOSA-N 292.375 3.577 30 20 CHED C#C[C@@H](OC(=O)CCCC#N)c1cccc(C(F)(F)F)c1 842409687 RKKXTZCPWHPNNX-CYBMUJFWSA-N 295.260 3.617 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842941342 AAIOWNHPZVCDIU-OZVIIMIRSA-N 288.416 3.879 30 20 CHED N#C[C@H](C(=O)C=C(C1CC1)C1CC1)c1nc(C2CC2)cs1 842943394 WAIDDKFVFMLUQI-CQSZACIVSA-N 298.411 3.943 30 20 CHED C[C@@H]1CCCCCC1=NNc1nc(O)c2ccccc2n1 844587853 VSJLYDSZQPFBGT-LLVKDONJSA-N 284.363 3.704 30 20 CHED C[C@H]1CCCCCC1=NNc1ccc(C(F)(F)F)nn1 844590939 YVFPTYNAVDCURC-VIFPVBQESA-N 286.301 3.864 30 20 CHED C=C[C@@H](C)ONC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 846553399 ACIUPFMWPIQQBF-FVQBIDKESA-N 273.376 3.583 30 20 CHED CO[C@@H](C)c1nc(CNc2ccc(C#N)cc2C)cs1 846753272 KAJATVOUHAVQGG-NSHDSACASA-N 287.388 3.643 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@H]1CCCC[C@@H]1F 847711284 KTJBWYSLLURYFN-RCBQFDQVSA-N 289.350 3.561 30 20 CHED C=C(Cl)CNc1cc(F)ccc1OC[C@@H]1CCCO1 849314340 HMOCXHGAGRWUID-LBPRGKRZSA-N 285.746 3.548 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CCC(=O)[C@H](C)C1 851141859 DUUZYPMGKXPYNV-KQTLUZQSSA-N 278.392 3.670 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc(Cl)c1F 851208784 DKZVGNMHQAVKRK-VIFPVBQESA-N 283.730 3.964 30 20 CHED C=CC(C)(C)CCOC(=O)C1(C(F)(F)F)CCC1 851299922 FIALKGRIKFIOKP-UHFFFAOYSA-N 264.287 3.865 30 20 CHED O=C1/C(=C/c2ccc(C3CCC3)cc2)CCn2nccc21 853009237 GTLJGXFWJDNEMY-FOWTUZBSSA-N 278.355 3.821 30 20 CHED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)C#CC1CC1 854409425 GWEAGFTYEBJTRK-MRXNPFEDSA-N 283.415 3.954 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1ccccc1O[C@@H](C)C#N 857603549 CZUMJFSLTRRAIO-BLLLJJGKSA-N 292.354 3.834 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCO[C@H](CCC)C1 862357805 HOAPXUAGFZQVRQ-HUUCEWRRSA-N 269.429 3.668 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1nc(C)cs1 863082622 OENWAASJVCLJRW-NSHDSACASA-N 259.378 3.526 30 20 CHED Cc1cccc(-c2ccc(NC(C)C)nc2)c1C#N 863690124 LBKQVSOYIJHYDS-UHFFFAOYSA-N 251.333 3.749 30 20 CHED CCC(=NNc1cc(C)ccn1)c1cccc(OC)c1OC 872356558 SGSFJPSNGYZGKJ-UHFFFAOYSA-N 299.374 3.633 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@@H](CF)C1)c1ccccc1 881599851 DFNMNNUFWNFWBW-HOCLYGCPSA-N 275.367 3.554 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H](C)c1nc(CCCC)no1 884651512 PTWBZDLNVCTSED-NSHDSACASA-N 280.368 3.619 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C 886360917 JPFJOYHXYIXLBR-GJZGRUSLSA-N 297.439 3.537 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 889986529 PKLPXTBRLATATE-LBPRGKRZSA-N 283.371 3.696 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(Cl)cnc1Cl 891261919 CGBNUMJGOPRNQN-UHFFFAOYSA-N 273.163 3.929 30 20 CHED C=C1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 891485846 VSPZASDWJDSYBQ-UHFFFAOYSA-N 298.308 3.567 30 20 CHED N#CCCCOc1cccc(CN2CCC[C@H](CF)C2)c1 895545086 AXSHIPLQMSHYEN-MRXNPFEDSA-N 290.382 3.551 30 20 CHED C=C1CCC(C(=O)N2CCO[C@@H](c3ccccc3C)C2)CC1 896666219 DRHPEGTWGXUTOO-GOSISDBHSA-N 299.414 3.641 30 20 CHED C[C@H]1Cc2cc(N[C@H](C)CC(C)(C)C#N)ccc2O1 897107559 DCRSTWRUPGSOLT-NEPJUHHUSA-N 258.365 3.750 30 20 CHED C=CCCC[C@H](NCc1cccc(SCC)c1)C(=O)O 900069311 XTNJTYJSEZOUMN-HNNXBMFYSA-N 293.432 3.698 30 20 CHED O=C(c1ccccc1Cl)N(O)Cc1ccc(F)cc1 901378137 CVISNRHNWWVUMU-UHFFFAOYSA-N 279.698 3.511 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCc1ccsc1 901838318 YNYOQDBWSMJYOH-LBPRGKRZSA-N 281.446 3.570 30 20 CHED CC[C@@H](NC[C@H](CCO)CC(C)C)c1cccc(C#N)c1 902827857 QLQNQVGQDJDRNS-SJLPKXTDSA-N 288.435 3.644 30 20 CHED CC[C@@H](NCCSC(C)C)c1cccc(C#N)c1 902988399 RJNMVCQQJJRJAD-OAHLLOKOSA-N 262.422 3.741 30 20 CHED C=CCCC[C@H](N)c1nc([C@H]2CCC[C@@H](C)C2)no1 904576156 GLVFJLNJHGKISD-AGIUHOORSA-N 263.385 3.719 30 20 CHED CC(C)(O)c1ccc(-c2ccc(CC#N)s2)cc1 904769195 QMVVJEPCNJFZDT-UHFFFAOYSA-N 257.358 3.709 30 20 CHED COCOc1ccc(C#N)cc1-c1ccc(OC(C)C)cc1 904882388 SFEQZYGWQRSLCM-UHFFFAOYSA-N 297.354 3.995 30 20 CHED CCCCCCCC(=O)Nc1ccc(N2CCCC2)cn1 914502089 FBEFQIRQPFQVRG-UHFFFAOYSA-N 289.423 3.981 30 20 CHED CCCCCCCCC(=O)NCCc1ccc(C)o1 915182979 NKHIICWHUSNJNB-UHFFFAOYSA-N 265.397 3.997 30 20 CHED Cc1cc(N(C)C)ccc1N=Cc1ccccc1O 915978730 IYYFYBMHPKVPKU-UHFFFAOYSA-N 254.333 3.517 30 20 CHED CCOc1ccccc1C=NNc1cccc(C)c1 916255909 GHODSASBUQNKMH-UHFFFAOYSA-N 254.333 3.840 30 20 CHED CC(C)(C)NC(=S)NN=Cc1ccc(C(C)(C)C)cc1 916343307 BFMGWPVKKLHUAN-UHFFFAOYSA-N 291.464 3.581 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@H](C)c1ccccc1 917363993 MVVYXQCYYIMAQQ-HNNXBMFYSA-N 272.392 3.578 30 20 CHED C=CCNC(=S)N(C)CCCCCCCCC 918722875 MJZUIVJQRGYTMF-UHFFFAOYSA-N 256.459 3.729 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 922241381 IBQGZIGIHIASQS-MLGOLLRUSA-N 297.402 3.518 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)[C@@H]1OCCc2sccc21 926471629 AMZDUYZOKBJGJA-XUJVJEKNSA-N 292.448 3.668 30 20 CHED N#CC1(CCCCN2CCCC(F)(F)CC2)CCC1 931171594 VYPLGFZZYOXEMY-UHFFFAOYSA-N 270.367 3.972 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1COC(C)(C)C 932537062 ABAHKEXEFAYGFS-UHFFFAOYSA-N 276.380 3.699 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cn2cccc2)cc1 1116836376 YTHROPSYMSTRLU-GOSISDBHSA-N 294.398 3.717 30 20 CHED Cc1cccc2cc(C(=O)[C@H](C#N)c3cccc(F)n3)oc12 1122632085 PAZZEDVZLWAWCT-GFCCVEGCSA-N 294.285 3.765 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](CC#N)c2ccco2)c1 1123369351 MHKXPYIYBZOJSA-UXLLHSPISA-N 295.338 3.890 30 20 CHED C=C(CC)C(=O)Nc1ccc2nn(C(C)C)cc2c1 1123661236 DGYOCGIVNJMACU-UHFFFAOYSA-N 257.337 3.522 30 20 CHED Cc1ccnc(NCC2(c3ccccc3F)CCC2)c1C#N 1163657156 SVJYVXZIXUQZQT-UHFFFAOYSA-N 295.361 3.935 30 20 CHED CCN(C[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)c(C)c1 1175965675 OPBALMDTHCQMQW-GOSISDBHSA-N 298.361 3.566 30 20 CHED C=C(C)CCC(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C 1262733884 GIWPVFYXNHXXOA-NVXWUHKLSA-N 287.403 3.640 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2F)c2ccccc21 1264541808 WTURBXZOYQQHQU-GFCCVEGCSA-N 294.329 3.851 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H](CC)CC(C)C 1264785612 LZHMHBUJZFLBQG-AWEZNQCLSA-N 288.391 3.968 30 20 CHED CC(C)c1nc([C@@H]2CCCCN2C[C@H](C)CCC#N)no1 1308628277 UDNRDYCIQOJBAF-KGLIPLIRSA-N 290.411 3.660 30 20 CHED CN(Cc1cccc(C#N)c1)[C@H]1CCc2c(F)cccc21 1319390580 CMDJCHGQEXGHLV-SFHVURJKSA-N 280.346 3.817 30 20 CHED N#Cc1ccc2c(c1)CCCC2=NNCc1ccc(F)cc1 1319740287 LIHFTLKQNRTVRS-UHFFFAOYSA-N 293.345 3.528 30 20 CHED C=CC[C@H](C(=O)N1CC(C)(C)C1(C)C)c1ccccc1 1320763923 KVLFHIOCGYBBDO-HNNXBMFYSA-N 271.404 3.993 30 20 CHED CC[C@@H]1CCC[C@H](CNCc2cccc(OCC#N)c2)C1 1323785777 NTNHBVYHTSPARX-CVEARBPZSA-N 286.419 3.895 30 20 CHED CC[C@@H](NC(=O)c1csc(C#N)c1)c1ccc(C)cc1 1324412183 RQCQCYNHEDLRJT-OAHLLOKOSA-N 284.384 3.809 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1csc(C#N)c1 1324503485 VFSOHPRQEPMENK-WCQYABFASA-N 290.432 3.907 30 20 CHED C=CCC(C)(C)c1noc(CCCC(=O)OC(C)(C)C)n1 1326500223 CHYSKRCWZRYBLW-UHFFFAOYSA-N 294.395 3.588 30 20 CHED CCN(Cc1ccccc1F)C(=O)C(C#N)(CC)CC 1328716624 JICYBWXBQLMFRG-UHFFFAOYSA-N 276.355 3.504 30 20 CHED C=C(C)CCC(=O)N1CCc2cc(C)cc(C)c2C1 1337796340 BRYXCTXRFBHLMS-UHFFFAOYSA-N 257.377 3.544 30 20 CHED Cn1ccc(NN=C2CCC(C)(c3ccccc3)CC2)n1 1338903768 WIFGVBNIBBWCEV-UHFFFAOYSA-N 282.391 3.720 30 20 CHED CC#CCCSCc1nccn1-c1ccccc1 1339126413 RBHLRYPCECGIIM-UHFFFAOYSA-N 256.374 3.519 30 20 CHED Cc1cccc2oc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)cc12 1344490077 RAQZNDFHKMXHIG-VXGBXAGGSA-N 269.300 3.590 30 20 CHED C=CC[C@@H](c1ccccc1)c1nnc(CC(F)(F)F)o1 1348921010 XSKXUPZIBKGTSA-NSHDSACASA-N 282.265 3.882 30 20 CHED C=C(CC)C(=O)NC(C)(C)c1cccc(Cl)c1 1351269039 WBLOFOHCQXTTPG-UHFFFAOYSA-N 251.757 3.658 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 1353279200 YACUIEONLNEORY-QILLFSRXSA-N 296.414 3.908 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)cc1F 1436533390 GSZOMEZFRHKQSY-KBPBESRZSA-N 288.366 3.644 30 20 CHED Cc1cccc2c1CCCN2Cc1ccc(F)c(C#N)c1 1459472826 BQLAVRRGLPGDBW-UHFFFAOYSA-N 280.346 3.959 30 20 CHED CCC1(c2ccccc2)CN(Cc2ccc(C#N)cc2F)C1 1462338454 YMHZMYOJPWBKKQ-UHFFFAOYSA-N 294.373 3.861 30 20 CHED CC[C@H]1CCC[C@@H]1CNc1ccc(Cl)c(C#N)n1 1472786763 RGQWQZMYWUVKNA-WDEREUQCSA-N 263.772 3.845 30 20 CHED C[C@H]1Sc2ccccc2N(Cc2cc(C#N)ccn2)[C@@H]1C 1473243940 MIKGBXZWVWINTH-CHWSQXEVSA-N 295.411 3.843 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2cccc(C)c21 1473260732 OHXOFKFTRULJBF-UHFFFAOYSA-N 262.356 3.738 30 20 CHED C[C@H]1CCC[C@@H](CN[C@H](C)CC(C)(C)C#N)[C@H]1C 1474477340 LTRPIAXUEDCODK-XGUBFFRZSA-N 250.430 3.977 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)C(F)F)C1 1474763321 VEMKQXHRFZIDCR-BNOWGMLFSA-N 264.319 3.665 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1 1476707783 PYKAZKCNXJFBSQ-YPMHNXCESA-N 289.354 3.788 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)c1cccc(C(C)C)c1 1517047223 SWUXYMPKQSDPPI-HNNXBMFYSA-N 281.359 3.516 30 20 CHED C=CCC[C@H]1CCCN1Cc1cccc(C(=O)O)c1Cl 1602860345 BWQIFUKRTUTRDE-ZDUSSCGKSA-N 293.794 3.969 30 20 CHED Cc1cccc(SCc2cccc(C(=O)O)c2C#N)c1 1607863241 RZMUECRNKYSRDO-UHFFFAOYSA-N 283.352 3.857 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 1612468813 WKGXJOQOHZHDJC-KWCYVHTRSA-N 269.392 3.851 30 20 CHED C[C@]1(Cc2ccc(F)cc2)CCCN1c1ccnc(C#N)c1 1612510036 RLQQNMIZWPETFD-GOSISDBHSA-N 295.361 3.694 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](C#N)C1 1631058266 VYVJCUBZVKNNLL-PMPSAXMXSA-N 291.439 3.536 30 20 CHED C[C@@]1(CNc2ncccc2C#N)CCCc2ccccc21 1651708023 LITZWVPUPCRXHR-SFHVURJKSA-N 277.371 3.659 30 20 CHED CSc1ccc(Nc2cc(C)c(C#N)cn2)cc1 1654916522 DICQXHMIRYXPGO-UHFFFAOYSA-N 255.346 3.727 30 20 CHED Cc1cccc2c1CCN2C(=O)Nc1ccc(C#N)c(F)c1 1672081030 YKFFHYODKUZBQG-UHFFFAOYSA-N 295.317 3.600 30 20 CHED Cc1ccc([C@@H]2C[C@H]2NC(=O)Nc2sccc2C#N)cc1 1672818152 RGYVEJVTGBYLHR-UONOGXRCSA-N 297.383 3.606 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C)[C@H]1C 1690329397 WKFISIBMIZYENN-NTZNESFSSA-N 296.846 3.779 30 20 CHED O=C(O)c1ccc(NN=C[C@H]2C[C@H]2c2ccccc2)cc1F 1776074801 VRGMERTWGLNWST-DOMZBBRYSA-N 298.317 3.725 30 20 CHED C=CCC(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)O 1776151492 FWOYTZPDWUJLLX-UHFFFAOYSA-N 292.335 3.616 30 20 CHED C=CCC[C@H](NCc1scc(Cl)c1Cl)C(=O)O 1776167769 IDRUSOMXESWDAV-QMMMGPOBSA-N 294.203 3.564 30 20 CHED CC1(C)CCC/C(=C/c2c(F)ccc(C(=O)O)c2F)C1=O 1776550875 MSFPZQKCTDSNPY-HJWRWDBZSA-N 294.297 3.826 30 20 CHED N#Cc1ccccc1CSc1ccc2c(c1)OCCO2 5229583 NVSIZZXTGRRWAL-UHFFFAOYSA-N 283.352 3.622 30 20 CHED Cc1ccc(NC(=S)N(CCC#N)CC(C)C)cc1F 18921571 ZNJAEMQUWXXCEN-UHFFFAOYSA-N 293.411 3.703 30 20 CHED N#Cc1ccc(CSc2ccc(C(=O)O)cc2)c(F)c1 19388587 PIVAXDONTKHLCM-UHFFFAOYSA-N 287.315 3.688 30 20 CHED CN(C)CC(C)(C)CNc1ccc(C#N)c(C(F)(F)F)c1 37306358 RDQXFDISPSPNJF-UHFFFAOYSA-N 299.340 3.577 30 20 CHED CC(C)CN(CCOc1ccccc1C#N)CC(C)C 41664072 GVFWKOLLJSLWOB-UHFFFAOYSA-N 274.408 3.551 30 20 CHED O=C(/C=C/c1cccnc1)c1ccc(F)c(Cl)c1 44027437 NZNTXTIOAUPZRR-ZZXKWVIFSA-N 261.683 3.770 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1C 51637593 NFWPVFITHUYKJI-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CCc1sc(NC(=O)C(C)(C)C#N)nc1-c1ccccc1 55421795 PZPIQNLHZIKIKR-UHFFFAOYSA-N 299.399 3.861 30 20 CHED C=CCOc1cccc(NC(=O)N(C)Cc2ccccc2)c1 56772123 FBFSMOQBGGWGES-UHFFFAOYSA-N 296.370 3.915 30 20 CHED N#Cc1c(F)cccc1NCCCOc1ccccc1 58733094 AFISPTBFAVNJFB-UHFFFAOYSA-N 270.307 3.578 30 20 CHED CC(C)N(CCC#N)C(=O)CCCc1c[nH]c2ccccc12 59018937 YSIITNYWSPWEPV-UHFFFAOYSA-N 297.402 3.641 30 20 CHED C=CCCC(=O)Nc1nc(-c2ccccc2OC)cs1 60365004 GYDGSURNDYBMMC-UHFFFAOYSA-N 288.372 3.723 30 20 CHED C[C@H](CNc1ccc(C#N)c(Cl)c1)CN1CCCCC1 61846129 JIFVRETYBMKURN-CYBMUJFWSA-N 291.826 3.746 30 20 CHED N#C[C@@H]1CCC[C@H]1NC1CC(c2ccccc2Cl)C1 61891940 NZCCXMHCYNJBQF-PIISCBOPSA-N 274.795 3.868 30 20 CHED C=CCCO[C@H](C)C(=O)NC[C@H](c1ccccc1)C(C)C 69353522 KGCYXVJMRCFCCH-WBVHZDCISA-N 289.419 3.524 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C)CC1 69605521 NSNJOYRTDZUOSE-GFCCVEGCSA-N 271.364 3.521 30 20 CHED CC(C)c1cccc(Oc2ncc([N+](=O)[O-])cc2C#N)c1 70790955 BQPZGUZBIGITNW-UHFFFAOYSA-N 283.287 3.777 30 20 CHED C=C(C)CSc1nc2ccccc2c(=O)n1C(C)C 72737639 XNTAWNFNUVJWQQ-UHFFFAOYSA-N 274.389 3.646 30 20 CHED N#CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCC1 78208507 CBTQSHDMWPMTNY-UHFFFAOYSA-N 293.370 3.590 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)c1cccc(F)c1 78287525 YJGMAWVFNMNTSV-UHFFFAOYSA-N 296.345 3.683 30 20 CHED C=CCn1c(S[C@@H](C)CC)nnc1-c1ccoc1C 78836792 CRWRYBDBHIFELN-JTQLQIEISA-N 277.393 3.923 30 20 CHED N#CCOc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)cc1 81625154 XHRHDUKVYRBLPH-HOCLYGCPSA-N 270.376 3.970 30 20 CHED CC(C)(C#N)CCCNc1ccc2c(c1)OC(F)(F)O2 87597071 HPJDVGFPLNIEHV-UHFFFAOYSA-N 282.290 3.750 30 20 CHED C=CCN(Cc1ccccc1F)Cc1cccnc1C 92404667 WFLGAAMOVBMHTG-UHFFFAOYSA-N 270.351 3.717 30 20 CHED C[C@@H]1c2ccccc2CCN1c1snc(Cl)c1C#N 92665483 FBEULVRROCPRNZ-SECBINFHSA-N 289.791 3.792 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H](Nc2ccccc2)C1 92758488 GXNORUZZQQHTIA-MRXNPFEDSA-N 271.408 3.503 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](CC)c2nc(C)cs2)c1 104989200 DQIFNGXKSBJLPI-AWEZNQCLSA-N 299.399 3.706 30 20 CHED CC[C@@H](CC(=O)N[C@H](C#N)c1ccccc1F)C(C)C 108798790 ZRJBRGLYTBRPAC-SWLSCSKDSA-N 276.355 3.579 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 115971240 KMMXPDYLGCYSRD-CHWSQXEVSA-N 298.292 3.579 30 20 CHED CC(C)n1ccc(=O)nc1S[C@@H](C)c1ccc(C#N)cc1 118177193 DFTPRGACJLEAPN-LBPRGKRZSA-N 299.399 3.549 30 20 CHED C=CCN(C)C(=O)NCCc1cccc(-c2ccccc2)c1 119435524 WWPJPZHJHPFCHO-UHFFFAOYSA-N 294.398 3.724 30 20 CHED C#CCCCCC(=O)NCc1oc2ccc(F)cc2c1C 119723420 NTAHKTCSXYCBIN-UHFFFAOYSA-N 287.334 3.690 30 20 CHED C=CCC[C@@H](NCCc1nc(CC)c(C)s1)C1CC1 120842647 VJOAZDLPBFNFPD-OAHLLOKOSA-N 278.465 3.891 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(F)c(C#N)c1 121528398 JXOIYNRECUMMSC-UHFFFAOYSA-N 287.382 3.849 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H](C)C1)c1ccccc1 121624942 WCDWICGXVHBDFF-HUUCEWRRSA-N 257.377 3.605 30 20 CHED C=CCC[C@@H](O)CN[C@H](CC)c1ccc(Cl)cc1 121774383 DUXVNDDWROKGSF-HUUCEWRRSA-N 267.800 3.708 30 20 CHED C[C@@H](CCc1ccccc1)NCc1cccc(OCC#N)c1 124018916 QPXOEEWGAZXTQX-INIZCTEOSA-N 294.398 3.700 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(SC(F)F)cc2)C1 124154039 DCADNIAGMHPZPG-UHFFFAOYSA-N 296.342 3.880 30 20 CHED CC(C)CCOc1ccc(Br)cc1C#N 128107304 PLGUTCQOWFFUDW-UHFFFAOYSA-N 268.154 3.746 30 20 CHED C=C[C@H](C)Nc1ncc(C(F)(F)F)cc1Cl 130654569 POCWBRKIVMSCHC-LURJTMIESA-N 250.651 3.740 30 20 CHED CCOc1cc(Cl)ccc1NC(=O)N(CC)CCC#N 133868539 ZNRKPXTVHDNPKY-UHFFFAOYSA-N 295.770 3.506 30 20 CHED C=CCCC(=O)CSc1ccnc2ccccc12 134809736 CFZIATYUQHMHGO-UHFFFAOYSA-N 257.358 3.862 30 20 CHED CC[C@H]1CN(c2cc(Cl)ccc2C#N)CCS1 135265157 HWUVZKZUPXVVPM-LBPRGKRZSA-N 266.797 3.543 30 20 CHED CCCOc1cccc(CCNCC(C)(C)CCC#N)c1 135955250 NGJAHYPXVRESKU-UHFFFAOYSA-N 288.435 3.937 30 20 CHED Cc1cccc2cc(C(=O)[C@@H](C#N)c3ccccn3)oc12 147032781 RZFKZOYYQWZIKY-ZDUSSCGKSA-N 276.295 3.626 30 20 CHED CC1CCN(c2cccc(NCc3ccc(C#N)o3)c2)CC1 151500592 GWHNRKOCBPOPKB-UHFFFAOYSA-N 295.386 4.000 30 20 CHED CC(C)c1nc(CNc2ccc(F)c(C#N)c2)cs1 153833902 NSMLXEUWFYRLDP-UHFFFAOYSA-N 275.352 3.889 30 20 CHED CC(C)Oc1ccccc1CN(CC#N)C1CCCC1 156594543 JKXZFCDLWGDPHN-UHFFFAOYSA-N 272.392 3.742 30 20 CHED C=CCCCCCN(C)C(=O)CC[C@@H]1CCCCO1 156840926 WVLQCQSNBOZCAK-HNNXBMFYSA-N 267.413 3.541 30 20 CHED CN(C(=O)CC1CCCCCC1)c1ccc(C#N)cc1 158287834 MBQLILWTUZRQCM-UHFFFAOYSA-N 270.376 3.882 30 20 CHED C[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl 162590640 AQTCXEMMPQVJCS-ABAIWWIYSA-N 262.784 3.880 30 20 CHED CC1(C)CC[C@@H](NC(=O)c2ccccc2SCC#N)C1 162851613 XTZSAEQSMFYPTN-GFCCVEGCSA-N 288.416 3.611 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H](C)C(C)C 171912179 ZEUXWOVKNQONBZ-SNVBAGLBSA-N 295.766 3.808 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H](C)C(C)C)C(C)C)c1 171939807 PMWOJQZBZBDROM-AWEZNQCLSA-N 257.377 3.701 30 20 CHED CCN(CCCSC)[C@H](C)c1ccc(C#N)cc1 172721609 CYSHHTFMDSKCSX-CYBMUJFWSA-N 262.422 3.694 30 20 CHED CC(C)(C)c1csc(CNCc2cc(C#N)cs2)n1 177697342 XDAQRCTVJZKKQO-UHFFFAOYSA-N 291.445 3.664 30 20 CHED N#Cc1ccc(OC(=O)c2ccc3ncsc3c2)c(F)c1 178554814 ZNWNKYGVNBRBSM-UHFFFAOYSA-N 298.298 3.526 30 20 CHED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(Cl)nc1 179413701 RAUTXWPQXJRRFP-DAFODLJHSA-N 294.137 3.990 30 20 CHED CC(C)CC[C@@H](NCC#N)c1ccc(Cl)cc1 180024902 FGGIVNDCDPQTFX-CQSZACIVSA-N 250.773 3.930 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OCCC(C)C)cc1 180456172 QYGHNLMKFDIWMX-UHFFFAOYSA-N 275.392 3.760 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 180540817 SOUZQRBJOCMTDY-NSHDSACASA-N 298.333 3.567 30 20 CHED CC#CCn1c(COc2ccccc2)nc2ccccc21 180621586 GYLBJZIBHCNBHT-UHFFFAOYSA-N 276.339 3.639 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnn(CC(C)C)c2)o1 180741290 AZBLTEVPWZPONE-FNORWQNLSA-N 272.348 3.591 30 20 CHED CCCCCCC(=O)Nc1ccccc1O[C@H](C)C#N 182042324 IAYOPNHBMZDOAJ-CYBMUJFWSA-N 274.364 3.886 30 20 CHED CC(C)OCC/N=C/c1cc(Cl)cc(Cl)c1O 182166566 AEXXBJVBPBVJIV-VIZOYTHASA-N 276.163 3.543 30 20 CHED COCc1cccc(/C=C/C(=O)c2sccc2OC)c1 184767436 MOOVOZVDKFGZDP-VOTSOKGWSA-N 288.368 3.799 30 20 CHED C#C[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccc2ccccc12 186013415 HCYFGUHKBPLERX-RDTXWAMCSA-N 292.382 3.708 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H](C)CSC)c1ccc(F)c(F)c1 186059977 QPZUZZSEQZXSQC-HZMBPMFUSA-N 299.386 3.697 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1nccn1C)c1ccc(F)c(F)c1 186447114 NIAPRRZRWCPSLZ-IAQYHMDHSA-N 291.345 3.666 30 20 CHED C=CC[C@@H](C(=O)N(C)C[C@@H](C)CC)c1ccccc1 187855211 GLRNZWMDFBTYPT-GOEBONIOSA-N 259.393 3.851 30 20 CHED COc1ccc(C(C)=O)c(O[C@H](C)c2cccc(C#N)c2)c1 190087637 ZDIYKHJAIMKLQE-CYBMUJFWSA-N 295.338 3.909 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(-c2cccnc2)cs1 190528864 NUBAKXGSNBCTAF-HNNXBMFYSA-N 287.388 3.746 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)Cc1ccccc1C 190760757 OKVCFERACWATEV-WMLDXEAASA-N 259.393 3.645 30 20 CHED CC[C@H](C)N(Cc1ccccc1)Cc1cc(C#N)n(C)c1 191184095 IBHMVXGCOQBUEC-HNNXBMFYSA-N 281.403 3.697 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)c1nc(C(C)(C)C)no1 191569366 ISFHRCIJCOGUGD-RYUDHWBXSA-N 265.401 3.763 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1c(C)noc1C)C2=O 192879815 AKFGYXIFMKKIEC-UKTHLTGXSA-N 283.327 3.513 30 20 CHED COc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 193613369 RCRDAYPIYXSNMC-UHFFFAOYSA-N 292.382 3.731 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 193902186 RVEJBTQZRLCTRW-OLZOCXBDSA-N 295.342 3.878 30 20 CHED CCc1ccc(OC(=O)C2(C#N)CCCCC2)cc1 194315045 UZDYHEVKFSRVSL-UHFFFAOYSA-N 257.333 3.628 30 20 CHED CS[C@H]1CC[C@H](Nc2c(C#N)cnc3ccccc23)C1 230918593 RUWWGNWETAHYQL-STQMWFEESA-N 283.400 3.802 30 20 CHED N#CCCCOc1cccc(CNCc2cccs2)c1 237820173 BHRNCODLRHIJOR-UHFFFAOYSA-N 286.400 3.720 30 20 CHED C[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)[C@@H]1C 245560742 NESXMCKYSHCGSQ-RRFJBIMHSA-N 272.392 3.598 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H](C)c2cccc(F)c2)C1 246883530 WPPPNVWKLMAYIA-XNJGSVPQSA-N 288.366 3.518 30 20 CHED CCCCCCCCCNC(=O)c1c(C)noc1C 248269011 PKRZLRIBEWHIJX-UHFFFAOYSA-N 266.385 3.772 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3cccs3)ccc21 255290412 IRGZUQIWLDTMFR-ALCCZGGFSA-N 269.369 3.637 30 20 CHED Oc1ccccc1/C=N\[C@H]1CCCN(c2ccccc2F)C1 255323016 CWSFBRXLNSANJE-DKNZLLBESA-N 298.361 3.619 30 20 CHED CCc1ccc(N/C(N)=N/Cc2sccc2C)cc1 261965809 BDIXXJHAYIUFBL-UHFFFAOYSA-N 273.405 3.546 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/CC2(C#N)CCC2)cc1 263142193 OLDNVKJAPBIAPQ-ZDUSSCGKSA-N 284.407 3.621 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(C#N)cc1 265438809 YHHOCIBKOXCECL-XPKDYRNWSA-N 283.375 3.743 30 20 CHED C=C1CCN(C(=O)c2scnc2C2CCCC2)CC1 273757745 XXRFQJDUFUFWPF-UHFFFAOYSA-N 276.405 3.593 30 20 CHED N#CCSCCCN1CCCC[C@@H]1c1ccccc1 273839783 JDNZJNBEGUDROV-MRXNPFEDSA-N 274.433 3.860 30 20 CHED CC(C)=CCCNC(=O)N[C@@H](CCC#N)c1ccccc1 276932580 RHHSZFAZTOBGOC-INIZCTEOSA-N 285.391 3.687 30 20 CHED CC[C@H](NCc1nc(C)cs1)c1ccc(C#N)cc1 278188436 FEIHAXSRPUUGNC-AWEZNQCLSA-N 271.389 3.564 30 20 CHED C=CCC[C@H](CCC)Nc1ccc2c(c1)N(C(N)=O)CC2 278587673 HXUZMQLGXIFNHR-AWEZNQCLSA-N 287.407 3.675 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CC(c2ccccc2)C1 280720970 FSVNBTAMWHOICL-AQEOSJORSA-N 271.404 3.503 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccc(C)cc1C 281162016 BNHYFWAEOKBEDG-JKSUJKDBSA-N 288.435 3.965 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 284251822 PXNZNXRMESPZGO-ZYHUDNBSSA-N 274.751 3.752 30 20 CHED CC(C)CCCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 285517542 QOVRNOYMMCAOOU-UHFFFAOYSA-N 290.382 3.527 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(N2CCCCCC2)c1 285560617 HCNHOQBEMHNNDA-SFHVURJKSA-N 299.418 3.945 30 20 CHED C=C[C@](C)(CCOC)c1nc(CC2CCCCC2)no1 288822330 BTXNZMMLZYPZER-MRXNPFEDSA-N 278.396 3.673 30 20 CHED C=Cc1ccc(CCN[C@H]2CCC[C@H](C#N)C2)cc1 291226099 NTPDFRNFVDTYIA-IRXDYDNUSA-N 254.377 3.544 30 20 CHED Cc1nc(N[C@@H]2CCO[C@H](c3ccccc3)C2)ccc1C#N 291943227 MZBRPNIJVAKDMO-SJORKVTESA-N 293.370 3.594 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(C2CCCC2)cc1 292492554 RKHRRCHCVOHOSO-UHFFFAOYSA-N 282.387 3.886 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(F)F 293439502 PIPASJXXEPAXFF-SECBINFHSA-N 284.331 3.532 30 20 CHED C[C@@H]1CC[C@@H](C)[C@@H](NCc2ccc(OCC#N)cc2)C1 295236773 SJMZPSCASCVKBR-CPUCHLNUSA-N 272.392 3.503 30 20 CHED C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)[C@H]1c1ccccc1 301464249 KSIPMBOFFDZCJO-YVEFUNNKSA-N 293.326 3.664 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)c1ccc(C#N)nc1 301595708 RYHADLUAPNULRO-UHFFFAOYSA-N 292.169 3.896 30 20 CHED Cc1nc2c(c(N[C@H](C)c3ccc(C#N)cc3)n1)CCCC2 302028501 AVQQCTUVCPQBIR-GFCCVEGCSA-N 292.386 3.709 30 20 CHED N#Cc1cc(F)c(NCCC[C@H]2CCCCO2)c(F)c1 302220413 MCNMNNKDDCEHOU-GFCCVEGCSA-N 280.318 3.598 30 20 CHED C=CCCCCNc1ccc2cc(C#N)ccc2n1 302269573 RMXMYQSNTCAZCC-UHFFFAOYSA-N 251.333 3.875 30 20 CHED C=C(Br)CN1CC[C@H](C(F)(F)F)C1(C)C 307259979 LSAWRLZAGALBHE-QMMMGPOBSA-N 286.135 3.558 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 311902821 YLBUYSNFERJVIY-LBPRGKRZSA-N 276.767 3.976 30 20 CHED CC1(C)CCC[C@@H](C/C(O)=N/C2(c3nc[nH]n3)CCC2)C1 329264565 BXOJKAMIZKPWMX-LBPRGKRZSA-N 290.411 3.747 30 20 CHED O/C(=N/[C@@H]1CC[C@@H](F)C1)Nc1nc2ccsc2s1 329444575 LQFHHEFNTXQVAR-RNFRBKRXSA-N 285.369 3.574 30 20 CHED CC1(C)CCC(/N=C(/O)[C@H]2CCCSC2)(C(=N)O)CC1 329592043 BUSNSKXNUSAJIJ-NSHDSACASA-N 298.452 3.960 30 20 CHED OC(C[C@@H]1CCOC1)=Nc1nc2ccc(Cl)cc2s1 329729727 CZAGMCXKRGRROA-QMMMGPOBSA-N 296.779 3.964 30 20 CHED Cc1sc(NC(=O)CC[C@@H]2CCCCO2)c(C#N)c1C 330700832 GNMDQTYRNVTWMQ-LBPRGKRZSA-N 292.404 3.524 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cccc(Cl)c1Cl 334963156 KGOHPIJZDCSXQA-UHFFFAOYSA-N 285.174 3.615 30 20 CHED N#CC1(c2nc(-c3ccsc3Cl)no2)CCCC1 334969081 NLWQKPHTKZKYGC-UHFFFAOYSA-N 279.752 3.787 30 20 CHED C=CCCC(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C 335105166 UDTHSIXPCNNRQR-VXGBXAGGSA-N 261.340 3.626 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1CC#N 335138149 FWBSCRWNOIZLIF-JSGCOSHPSA-N 256.349 3.517 30 20 CHED CC1(C#N)CCC(N[C@@H]2C[C@H]2c2ccccc2F)CC1 335151394 WPYZUWUBPYYTAA-ORTQGIPQSA-N 272.367 3.744 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2ncc(C#N)cc2Cl)c1 335283036 QHQHLJVTKIYEPX-UHFFFAOYSA-N 299.761 3.500 30 20 CHED C[C@@H](Nc1ccc(OC(F)F)nc1)c1ccc(C#N)cc1 338775598 GEGCBVGKWHTIJO-SNVBAGLBSA-N 289.285 3.728 30 20 CHED C=C(CC)CN[C@H](CC(=O)OC(C)C)c1ccccc1 340850598 OKUIXHLBRCDOER-MRXNPFEDSA-N 275.392 3.625 30 20 CHED C=CCCN(C)Cc1ccccc1CN(C)CCC=C 342722565 NWNKXSYRNUBZBK-UHFFFAOYSA-N 272.436 3.702 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(CC2(C#N)CC2)C2CC2)o1 343258947 KLTAWUUAVIDBKT-WFASDCNBSA-N 270.376 3.671 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(-c2cncnc2)cc1 343502659 ZFJGLSLIDSQNCE-UHFFFAOYSA-N 293.370 3.851 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@@H](C)C1 345167105 OFFJESUWEVEWSB-OCCSQVGLSA-N 286.375 3.720 30 20 CHED Cc1nccn1CCSc1ccc(C#N)cc1Cl 347735890 KGLKEBVHUBCDCY-UHFFFAOYSA-N 277.780 3.509 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CC1CCC(=O)CC1 347883014 QNGLPNUNZWIMOK-UHFFFAOYSA-N 299.414 3.741 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCc2ccc(F)cc21 350830338 PASOBSLFLWCGAX-GDBMZVCRSA-N 290.382 3.857 30 20 CHED Cc1cc(C(F)(F)F)ncc1NCc1cc(C#N)cs1 357705638 HCSLAXFYGHMECB-UHFFFAOYSA-N 297.305 3.954 30 20 CHED CC[C@H](CC#N)NCc1ccc(OC)c(OCC(C)C)c1 358275548 GYQVVXMWEDORCK-OAHLLOKOSA-N 290.407 3.512 30 20 CHED C=CCC1(C(=O)Nc2ccc(Cn3cccn3)cc2)CCC1 358495224 MAOFHMIXUDGXRY-UHFFFAOYSA-N 295.386 3.616 30 20 CHED CC[C@@]1(C)CCCN(C(=O)NCC(C)(C)CCC#N)C1 358718984 YVFNSHBULQKQHW-INIZCTEOSA-N 279.428 3.538 30 20 CHED Cc1nc(NCC[C@H]2CCO[C@@H](C)C2)c(Cl)cc1C#N 360085835 ATONNIBRHOLBQZ-JQWIXIFHSA-N 293.798 3.532 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CC[C@@H](C)C2)c1 360113354 BXVYZUQNNUXEPE-DGCLKSJQSA-N 256.349 3.609 30 20 CHED CC(C)C[C@H](NCc1ccc(C#N)c(F)c1)c1ccccn1 361763252 DJEFKNRRHZISCN-SFHVURJKSA-N 297.377 3.969 30 20 CHED N#CCCCC(=O)N(c1ccccc1F)C1CCCC1 361855927 LUXQSZYCPKHXMX-UHFFFAOYSA-N 274.339 3.795 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@H](C2CC2)C1)c1ccccc1 362684952 JQTGFAOWJCLOFI-YOEHRIQHSA-N 269.388 3.605 30 20 CHED C[C@H]1CCN(CC#N)[C@H]1c1ccc(C(F)(F)F)cc1 374423237 VTAXRPMCFCPYER-GXFFZTMASA-N 268.282 3.612 30 20 CHED C[C@@H]1CSC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 382142638 QUZYEDBYYVLYBY-PELKAZGASA-N 286.322 3.740 30 20 CHED N#Cc1ccc(N2CC[C@H](C3CC3)C2)cc1C(F)(F)F 400037794 KTJLOEBYSQNXPO-LBPRGKRZSA-N 280.293 3.813 30 20 CHED CC[C@@H](CNCc1cc(C#N)cs1)CC(F)(F)F 402705384 SOABWJKCPFAMDU-SECBINFHSA-N 276.327 3.688 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnc(-c2ccccc2)s1 410127480 ADHZRYSXTDYULB-CYBMUJFWSA-N 286.400 3.895 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@]1(C#N)CCc2ccccc2C1 410721732 YGCNMHVSKDAGQO-HNAYVOBHSA-N 298.430 3.626 30 20 CHED C[C@@H](c1cccnc1)N(C)CCC1(C#N)CCCCC1 411415188 FWVBTZWEQWPVED-HNNXBMFYSA-N 271.408 3.939 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCc2ccc(Cl)cc21 414163434 IPVKPZAUHNYOBS-CQSZACIVSA-N 262.784 3.857 30 20 CHED N#Cc1ccc(OCCO[C@@H]2CCCCO2)c2ccccc12 419058918 WTMGEHLSLFUNBS-GOSISDBHSA-N 297.354 3.633 30 20 CHED COc1ccc2cc(CN[C@@H]3CC[C@H](C#N)C3)ccc2c1 424194806 MARVUQYWWDKTEH-SUMWQHHRSA-N 280.371 3.630 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1c(F)cccc1F 424568782 MSKVYWOLRMXCBA-SNVBAGLBSA-N 267.319 3.744 30 20 CHED C=CCCC[C@@H](C)N[C@@H]1CCc2c(cccc2OC)C1 426064803 WGACFMQROSFFOR-GDBMZVCRSA-N 273.420 3.887 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC/C=C/c1ccncc1 426143596 OGICSIDSMCPRNX-ONEGZZNKSA-N 293.370 3.866 30 20 CHED COc1cccc(CN(C)CC#Cc2ccc(Cl)cc2)c1 426402595 IYSBTXKADZTEJH-UHFFFAOYSA-N 299.801 3.832 30 20 CHED Cc1cc(C(=O)CSc2ccc(C#N)cc2)ccc1F 426586686 MPFOVGZUJTZVAL-UHFFFAOYSA-N 285.343 3.981 30 20 CHED Cc1ccc(CC2CCN(CC3(C#N)CC3)CC2)cc1C 428707724 IEOKMOFDNBOQLG-UHFFFAOYSA-N 282.431 3.862 30 20 CHED N#Cc1ncc(OCc2ccc(-c3ccsc3)cc2)cn1 436180734 CFUYTCHTMIBNSS-UHFFFAOYSA-N 293.351 3.656 30 20 CHED N#Cc1ccccc1NCc1csc(C2CC2)n1 438928477 SQYCKYFFCDAPLJ-UHFFFAOYSA-N 255.346 3.504 30 20 CHED C=CC[C@@H](CC)Nc1cnc2cc(F)c(F)cc2n1 440635983 GYOPLBMFANEXOW-SECBINFHSA-N 263.291 3.675 30 20 CHED CC[C@@H](F)CSCc1cc(C#N)ccc1OC 442547108 UKKGNRZZSUMTFK-GFCCVEGCSA-N 253.342 3.548 30 20 CHED COc1cc(CN(C)c2ccc(SC)cc2)ccc1C#N 442844905 WTYWHNFLAXBISY-UHFFFAOYSA-N 298.411 3.925 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H](C(C)C)C2)c1C#N 443984978 GFPWFXVEXUKSBI-GFCCVEGCSA-N 277.799 3.788 30 20 CHED CC(C)=CCS[C@@H](C)C(=O)Nc1cccc(C#N)c1 446134228 CVUCFXBIBYUPFM-LBPRGKRZSA-N 274.389 3.585 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)NC1(C#N)CCCCC1 448848276 YTJUFMWWQQULLI-ZIAGYGMSSA-N 262.397 3.545 30 20 CHED Cc1ccccc1CCN(C)Cc1cccc(C#N)c1 449381185 QOPMYVVFZKAZKV-UHFFFAOYSA-N 264.372 3.541 30 20 CHED C=C(C)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 449470974 BVUDFMRXDHLMQT-UKTHLTGXSA-N 260.337 3.554 30 20 CHED C=CCC1(C(=O)Nc2cccc(-n3ccnc3)c2)CCCC1 449739220 JIDWNIVMMFGDHG-UHFFFAOYSA-N 295.386 3.947 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 449885513 DUFSYNFKSHFDEA-LEWSCRJBSA-N 297.320 3.890 30 20 CHED COc1cccc([C@@H]2CCCN2CC2(C#N)CCC2)c1 450219805 XCGYXBWIILRRLO-INIZCTEOSA-N 270.376 3.526 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(OCC)c(Cl)c1 451534340 XYPCPFFPQZKVAR-UHFFFAOYSA-N 281.783 3.567 30 20 CHED COc1cccc([C@H]2C[C@H](N(C)CCCCC#N)C2)c1 452021411 TUUZERWRZLQQEX-WKILWMFISA-N 272.392 3.567 30 20 CHED CCC[C@H](NC(=O)c1ccc(CC#N)cc1)C(C)(C)C 452676127 SLIRYCSAJIMZPZ-HNNXBMFYSA-N 272.392 3.697 30 20 CHED C=C(CC)CNC(=O)c1cc(SC)ccc1Cl 453018391 OTTQFTUJYVMGJF-UHFFFAOYSA-N 269.797 3.758 30 20 CHED C=C(C)CCN[C@@H]1CC2(CCC2)Oc2ccccc21 453316643 KVAAYOBMZLOWRQ-OAHLLOKOSA-N 257.377 3.989 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C1 454280003 SQYOXAZJNBEXAW-MRXNPFEDSA-N 299.418 3.526 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1Cc1ccccc1C 455309059 KMFYAMRSXPQMNC-KRWDZBQOSA-N 286.419 3.678 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 456833437 FKONCHKCFVDTQN-OAHLLOKOSA-N 261.340 3.764 30 20 CHED C[C@H]1CCCC[C@@]1(C)NCCCC1(C#N)CCOCC1 459610801 KVRDAVFDDWWHCU-JKSUJKDBSA-N 278.440 3.645 30 20 CHED C[C@H]1Cc2ccccc2N1CCNc1ccc(F)cc1C#N 462383747 IGFFWTQCJWAEAA-ZDUSSCGKSA-N 295.361 3.560 30 20 CHED C[C@@H]1CCCCN1CCCNc1c(Cl)cccc1C#N 462921928 KQBCVJBRQMDZNP-CYBMUJFWSA-N 291.826 3.888 30 20 CHED CC(C)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 464812289 KCXMOFOFYSLFEF-SJORKVTESA-N 256.393 3.804 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1cc(C)ccc1F 466391152 GJBMTCPFTXXALU-AWEZNQCLSA-N 278.371 3.630 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1cc(C)ccc1F 466391156 GJBMTCPFTXXALU-CQSZACIVSA-N 278.371 3.630 30 20 CHED Cn1cc(/C=C\c2nc3cc(Cl)ccc3o2)cc1C#N 478909972 JLBWXJJEJKJCHG-DJWKRKHSSA-N 283.718 3.862 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(C)ccc1OC 486764130 SFHXDAWHCVCDNG-ZDUSSCGKSA-N 274.364 3.576 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H](C)[C@@H]1CCC 488757563 ZKQADYRLOAMNIS-CABCVRRESA-N 274.408 3.715 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CSc1ccc(F)c(F)c1 488856403 POMZZGAXDKLBRW-LLVKDONJSA-N 297.370 3.624 30 20 CHED C=CCCC(=O)Nc1ccc(C(=O)C2CCC2)cc1 489691505 ZNAUWGJYZITVPB-UHFFFAOYSA-N 257.333 3.574 30 20 CHED C=C1CCN(C(=O)C(C)(C)Oc2cccc(Cl)c2)CC1 493437297 FSZAIQLKPZCMFZ-UHFFFAOYSA-N 293.794 3.676 30 20 CHED CC#CCCNCc1ccc(OC)c(OCCC(C)C)c1 499213537 NEGZHVYKLVFAMQ-UHFFFAOYSA-N 289.419 3.623 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1nc(C(C)(C)C)cs1 500103950 MLPJPUXNLJIFJO-SNVBAGLBSA-N 281.425 3.917 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1F 507251959 KWENWISFWZIMDX-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=CCC[C@@H](C)N[C@@H](COC)c1cccc(Cl)c1 515702469 LIMYYCPCRSCZHG-DOMZBBRYSA-N 267.800 3.972 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)NC1(C#N)CCCCC1 523354824 OGHMFDHIMUUWMK-ZIAGYGMSSA-N 262.397 3.545 30 20 CHED N#C[C@@H](NC(=O)[C@H]1CC12CCCCC2)C1CCCCC1 532418487 ILUUMXXHILTONJ-HUUCEWRRSA-N 274.408 3.545 30 20 CHED C=CCSCc1ccc(C(=O)OC(C)C)cc1 533330790 GNVQKECLHPDDQJ-UHFFFAOYSA-N 250.363 3.671 30 20 CHED CCCN(c1cccc(C#N)n1)[C@@H](C)c1ccccc1OC 534395602 WHROJPQZEUDIRP-AWEZNQCLSA-N 295.386 3.939 30 20 CHED C=CCCc1csc(-c2ccc(OCCOC)cc2)n1 534879818 ZPIIHKNGKMYYDS-UHFFFAOYSA-N 289.400 3.954 30 20 CHED CN1Cc2ccccc2[C@@H](Nc2ccc(Cl)cc2C#N)C1 535266402 UBHGGYDVMGKUGO-KRWDZBQOSA-N 297.789 3.810 30 20 CHED Cc1ccc(C#N)c(NCc2ccc([C@H]3C[C@@H]3C)o2)n1 536575258 RZQHSLCNDGTPAZ-HZMBPMFUSA-N 267.332 3.590 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2c(OC)ccnc12 536613361 HIIZXPGXNSYMBY-UHFFFAOYSA-N 296.370 3.950 30 20 CHED CCOCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542014749 XZEOTEYVLXKWKJ-OAHLLOKOSA-N 294.398 3.912 30 20 CHED Cc1ccnc(N2CC[C@H](Cc3ccccc3)[C@@H]2C)c1C#N 542210338 OGEZBCRPWVZIKF-DOTOQJQBSA-N 291.398 3.719 30 20 CHED CC#CCN[C@@H](Cc1ccccc1)c1cccs1 542527926 YTMORWUEYVIUPF-HNNXBMFYSA-N 255.386 3.645 30 20 CHED CCC1(CNC(=O)c2cccc(CC#N)c2)CCCCC1 546525342 HGIXVILBEMJXPS-UHFFFAOYSA-N 284.403 3.843 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@H](c2ccccc2F)C1 549578258 UIXWONFRUGJOPL-LBPRGKRZSA-N 284.309 3.830 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2cc(Cl)ccc21 552113441 VLANWWNJUIQPCE-UHFFFAOYSA-N 263.768 3.831 30 20 CHED CCC[C@@H]1CCCN(c2nccc(C#N)c2Cl)C1 553108757 VJQFOANNUSFIHD-LLVKDONJSA-N 263.772 3.623 30 20 CHED C=CCC[C@H](CC)NC[C@H](CO)C1CCCCC1 556241529 NCCQQOQZTFIKAD-CVEARBPZSA-N 253.430 3.510 30 20 CHED CC[C@@H](C)C[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 556886817 PCNJBMGFTBDIKX-HZPDHXFCSA-N 299.462 3.941 30 20 CHED C=CCCC1(c2nc(-c3ccccc3F)no2)CC1 558283612 VLPZVRUMVJJESV-UHFFFAOYSA-N 258.296 3.874 30 20 CHED C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1C1CC1 567907822 ZZVKHRMSPZGTCB-LBPRGKRZSA-N 262.401 3.529 30 20 CHED COc1ccc([C@H](C)NCC2(CC#N)CC2)cc1Cl 569418932 SAZKHOHYVXIUSL-NSHDSACASA-N 278.783 3.693 30 20 CHED C=CCN(C(=O)[C@@H](Cc1ccccc1)C(C)C)C1CC1 573644797 DMWVKQPLTITBMD-KRWDZBQOSA-N 271.404 3.678 30 20 CHED C[C@@H](NCCCCOC(C)(C)C)c1ccc(C#N)cc1 573977911 NVWBZKFXTVXPPS-CQSZACIVSA-N 274.408 3.804 30 20 CHED C[C@@H]1CN(CCCCC#N)c2cccc(Cl)c2O1 576147520 ANTOUYNXYIOOCJ-LLVKDONJSA-N 264.756 3.621 30 20 CHED C=CCCC1(c2nc(Cc3cc(F)cc(F)c3)no2)CC1 577442128 MPIAYTFNPRUEMS-UHFFFAOYSA-N 290.313 3.936 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)CO2 579043950 ZWXHUWQBVNKLBJ-MSOLQXFVSA-N 290.366 3.577 30 20 CHED CN(C(=O)Cc1cccc(C2CC2)c1)c1cccc(C#N)c1 580167743 QYJOHZHNZUAYLP-UHFFFAOYSA-N 290.366 3.641 30 20 CHED C=CCCCCCNc1cccc(-c2nnc(C)n2C)c1 580399505 AKCSFROGXPOIBS-UHFFFAOYSA-N 284.407 3.949 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1CC#N 580479177 OFRWBFCNLLEQKD-DZGCQCFKSA-N 270.376 3.908 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cccc(C(C)(C)C)c1 582674808 YFLVZXMJOVEIOK-QGZVFWFLSA-N 272.392 3.652 30 20 CHED C=CCCCNc1cnn(-c2cc(C)ccn2)c1CCC 584152872 UGIRRKXFGBTHMU-UHFFFAOYSA-N 284.407 3.906 30 20 CHED CCc1cc(C)nc(Oc2cc(C)c(C#N)c(C)c2C)n1 588081892 SUSALOIWYBADOL-UHFFFAOYSA-N 281.359 3.937 30 20 CHED N#CCCCCCC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 588158869 WGBWVSWHBLHTDA-MSOLQXFVSA-N 298.430 3.988 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)CCCCCC#N 588161302 BVBVFRRVURQFQU-ZDUSSCGKSA-N 250.386 3.545 30 20 CHED COc1ccsc1C(=O)/C=C\C1=Cc2ccccc2OC1 588489122 WTJFAMIIHKOAMC-SREVYHEPSA-N 298.363 3.972 30 20 CHED CC[C@H]1c2ccccc2CCN1C(=O)CCCCCC#N 588654474 TZTUQKBOUGJTIH-KRWDZBQOSA-N 284.403 3.996 30 20 CHED C=CCNC(=O)NCc1cccc(-c2cccc(C)c2)c1 588689996 TWYGFHBBHYRTAL-UHFFFAOYSA-N 280.371 3.647 30 20 CHED Cc1oc2ccc(NC(=O)c3cccc(C#N)n3)cc2c1C 589459251 XIRCXZOHGLZUEJ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C[C@@H](N=c1[nH]c(C#N)c(Cl)s1)c1ccc(Cl)cc1 590570193 XXSUETHGNAIMDC-SSDOTTSWSA-N 298.198 3.917 30 20 CHED N#CCSCCCNC1(c2ccccc2Cl)CC1 592137689 OGVISJNGZPAPHF-UHFFFAOYSA-N 280.824 3.566 30 20 CHED C[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CC2(CCCC2)O1 592194030 OFEBYPNDJJEDHD-HUUCEWRRSA-N 284.403 3.653 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CSc1ccc(C(C)C)cc1 594089999 XOKCHWDQWVOUME-AWEZNQCLSA-N 290.432 3.663 30 20 CHED CC[C@H](C#N)N(C)C(=O)CSc1ccc(C(C)C)cc1 594090001 XOKCHWDQWVOUME-CQSZACIVSA-N 290.432 3.663 30 20 CHED CC[C@@H](CSc1cc(C#N)ccn1)CC(F)F 594885228 CAVVQAQZEXBJGB-SECBINFHSA-N 256.321 3.727 30 20 CHED CCc1cnccc1[C@H](C)N[C@H](C#N)c1ccccc1 595428022 YQYYRSNQTJQFFS-SUMWQHHRSA-N 265.360 3.559 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)N1CCC[C@H](CC#N)C1 595623237 KLJITELTIKLPLQ-HUUCEWRRSA-N 268.404 3.862 30 20 CHED Cc1nc(C(C)C)ccc1CN1CCC[C@H](CC#N)C1 595623506 RVWJNAKSWVJJKC-OAHLLOKOSA-N 271.408 3.639 30 20 CHED CC1(C)C[C@]1(C)NC(=O)N[C@@H](CCC#N)c1ccccc1 596504918 QSJMZYSERAIDIB-YOEHRIQHSA-N 285.391 3.519 30 20 CHED CCC1(C)CCN(C(=O)CC2(C#N)CCCCC2)CC1 597054671 GPXDHQQDSMMTOG-UHFFFAOYSA-N 276.424 3.889 30 20 CHED N#CC[C@H]1CCCN(CCc2cccc(Cl)c2)C1 597175647 BZLJFMJXANYIPF-CQSZACIVSA-N 262.784 3.508 30 20 CHED CC(C)(C#N)C[C@@H](O)CN[C@H](c1ccccc1)C(C)(C)C 598594497 KWDNRLVFWGUGJE-HZPDHXFCSA-N 288.435 3.664 30 20 CHED CCC(C#N)(CC)C(=O)NCC(C)(C)c1ccccc1C 599250474 OGKICJPVTAHPNH-UHFFFAOYSA-N 286.419 3.719 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccccc1SC 599903147 AEKAGWRCSKEQEL-GFCCVEGCSA-N 290.432 3.916 30 20 CHED Cc1coc(S[C@H](C#N)CCc2ccccc2)n1 601080301 CDTXUXWDZNVWOM-ZDUSSCGKSA-N 258.346 3.600 30 20 CHED N#CC1(c2nc([C@H]3Cc4ccc(F)cc43)no2)CCCCC1 601394180 QEEPPTUQQXESJK-AWEZNQCLSA-N 297.333 3.622 30 20 CHED Cc1ccccc1C1CCN(Cc2cccc(C#N)n2)CC1 602466059 VPXPQSDSNQORLB-UHFFFAOYSA-N 291.398 3.641 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(Oc2ccccc2)nc1 602587150 XHGCUJUADPABBN-HNNXBMFYSA-N 295.386 3.903 30 20 CHED CC(C)[C@@H](Sc1cc(C#N)ccn1)C(=O)c1ccccc1 603725040 JIJMGOMVDCSIKX-QGZVFWFLSA-N 296.395 3.953 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)c(F)c1 604484223 GCNASSUTGNRRBE-GOSISDBHSA-N 296.345 3.740 30 20 CHED C[C@@H](SCCOC[C@@H]1CCCO1)c1ccc(C#N)cc1 610315489 WOHMKMJEJAJVGO-CJNGLKHVSA-N 291.416 3.548 30 20 CHED Cc1cc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1F 610323648 GDBLWAFMPCKNHJ-LBPRGKRZSA-N 297.333 3.889 30 20 CHED C[C@H](NC(=O)C(C)(C)c1ccccc1)c1cccc(C#N)c1 610360578 ZXGQTVKSCXHCKD-AWEZNQCLSA-N 292.382 3.713 30 20 CHED COCCOc1ccc(C#N)cc1N[C@H](C)CC1CCC1 612422732 PRLAJULHWQSTHJ-CYBMUJFWSA-N 288.391 3.574 30 20 CHED Cc1cccc2c(N3CCS[C@H](C)CC3)c(C#N)cnc12 617221815 AMNBUBVWMZUHLO-CYBMUJFWSA-N 297.427 3.747 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2cc3ccccc3o2)C1 617785036 CFJGQVIEQNRYRC-CQSZACIVSA-N 283.371 3.790 30 20 CHED C[C@]1(C#N)CCCN(Cc2nc3ccc(F)cc3s2)C1 617849084 ZXQLBAFBRXZRAF-OAHLLOKOSA-N 289.379 3.561 30 20 CHED CCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccn1 618567914 IRGZPHLUNGJXDH-FMKPAKJESA-N 257.381 3.595 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N=c1[nH]c2ccccc2s1 618694061 XDVSPARPXIVQLE-CQSZACIVSA-N 291.379 3.689 30 20 CHED C=CCC1(NC(=O)c2nc(C(C)C)oc2C)CCCC1 619110748 OUVZGGGDXLBBRC-UHFFFAOYSA-N 276.380 3.725 30 20 CHED N#Cc1ccc(CNC(=O)C[C@@H]2C=CCCC2)cc1Cl 619766247 UBCMGUTWNONYOM-GFCCVEGCSA-N 288.778 3.574 30 20 CHED CC(C)[C@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CS1 619847283 NSFGBVSNFIXYJR-DZGCQCFKSA-N 294.851 3.831 30 20 CHED C=CCN(C(=O)c1cccc(N2CCCC2)c1)C(C)(C)C 622945748 RAMKYIMKARTSOF-UHFFFAOYSA-N 286.419 3.714 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCOc2ccccc2[C@H]1C 622988020 TXPLSSDWHQXAPO-DYVFJYSZSA-N 273.376 3.571 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)c1ccncc1 623194243 AYKUDGPYMUXKDT-HNNXBMFYSA-N 252.361 3.831 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cn1 639947955 YERFTAKXSARIRK-LLVKDONJSA-N 299.296 3.673 30 20 CHED C=C1CCN(Cc2cn(-c3ccc(C)cc3)nc2C)CC1 656252594 VDODJLOJQBPBBR-UHFFFAOYSA-N 281.403 3.641 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 664333302 NHYSJXZJMSGKOA-NSHDSACASA-N 280.318 3.785 30 20 CHED C=CCCC(C)(C)NC(=O)NCCC1CCC(OC)CC1 664650058 PLZFPZNELZDOQH-UHFFFAOYSA-N 296.455 3.626 30 20 CHED C=CCOc1ccccc1-c1nc([C@H](CC)OCC)no1 665041124 QWTBGTOSIWSXFB-ZDUSSCGKSA-N 288.347 3.789 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCCC[C@@H]21 665152188 QVYWABBVFYGVMO-BZSNNMDCSA-N 298.430 3.758 30 20 CHED C=C(C)CCc1noc(Cc2cc3ccccc3o2)n1 671670857 IZOVEZIRFFBLQJ-UHFFFAOYSA-N 268.316 3.915 30 20 CHED C=C(CNC(=O)N1CCc2ccc(C)cc21)c1ccccc1 673195149 SQSGTMZCYXMAIB-UHFFFAOYSA-N 292.382 3.781 30 20 CHED COc1ccc([C@@H](C)N[C@H](C)CC(C)(C)C#N)cc1 695815161 KHZDJWMCHIZRHG-CHWSQXEVSA-N 260.381 3.674 30 20 CHED CCCCCCCNCc1cnn(-c2ccccc2)c1 703708548 LCJNPPJYMSMVDN-UHFFFAOYSA-N 271.408 3.932 30 20 CHED Cc1cc([C@H](C#N)C(=O)C[C@@H](C)C2CCCCC2)nc(C)n1 726320387 QAZJVUCUARHIIE-WBMJQRKESA-N 299.418 3.876 30 20 CHED CCC(=NNc1cnc2ccccc2n1)c1ccccc1 727258741 SMDKEYQULRZMEC-UHFFFAOYSA-N 276.343 3.856 30 20 CHED CCOc1cccc(C(=O)/C=C2\COc3ccc(F)cc32)c1 729149207 GURVYCIOARPSRE-UKTHLTGXSA-N 298.313 3.883 30 20 CHED Cc1cccc2c1C/C(=C\c1csc([N+](=O)[O-])c1)C2=O 729150202 JCVZOVZURNZVNY-VZUCSPMQSA-N 285.324 3.787 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2csc(C(=O)O)c2)c1 730149984 NQNASLDKXPLRHX-AATRIKPKSA-N 286.352 3.959 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccc2c(c1)OCCO2 731321538 JNCMQTXPKSNTDM-QHHAFSJGSA-N 298.313 3.801 30 20 CHED C=CCc1ccc(OC(=O)[C@@H](C)C(C)C)c(OC)c1 733089447 HKQCCUITVVIEQJ-LBPRGKRZSA-N 262.349 3.621 30 20 CHED C#CCOc1ccc(CN[C@H](C)CCCCC)cc1 733323391 YFNOBZWNZMXFTM-OAHLLOKOSA-N 259.393 3.757 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCc1ccc(OCC#N)cc1 733481563 PCVZQZNHQFDIPK-CQSZACIVSA-N 289.375 3.704 30 20 CHED C[C@H](CC#N)OC(=O)c1cc2c(s1)-c1ccccc1OC2 733710633 FWEDBNXTNRRQAQ-SNVBAGLBSA-N 299.351 3.766 30 20 CHED C=CC[C@H](NC(=O)Nc1ccccc1F)c1ccncc1 734515632 OCROBNCUAZHIPK-AWEZNQCLSA-N 285.322 3.660 30 20 CHED CCCCCCCCC(=O)N1CCCOC(C)(C)C1 735256207 GDNQLFGFWYXGEW-UHFFFAOYSA-N 269.429 3.765 30 20 CHED Cc1ccc2[nH]cc(C=NNCc3ccccc3)c2c1 735613010 XNAFMFMZKICTBM-UHFFFAOYSA-N 263.344 3.600 30 20 CHED CC[C@H]1CCCC(=NNCCc2ccc(OC)cc2)C1 737439814 JIFJNYKIIZWAKW-AWEZNQCLSA-N 274.408 3.784 30 20 CHED CCCCCCCCC/C=C/C(=O)NC1(C#N)CC1 737855144 PBMFAKQDWNAXFO-ZHACJKMWSA-N 262.397 3.856 30 20 CHED COc1cccc(/C=N\[C@@H]2C[C@]2(C)c2ccccc2)c1O 741465340 UOQLYNJBFLMMPW-GEGCAVGHSA-N 281.355 3.550 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)nn1 741468102 FHHYPVJDYDNXOF-QXMHVHEDSA-N 295.386 3.759 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1C2CCCC1CCC2 741994535 MHMXDMHIHHTCEU-VAWYXSNFSA-N 280.371 3.505 30 20 CHED COc1cccc(C(C)=NNc2ccc(Cl)nc2)c1 743450446 LBQYGVLXSYEMIA-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C=C/c1ccco1 743684262 QBJLSMFDYWXQHF-ZHACJKMWSA-N 281.355 3.550 30 20 CHED Cc1nc2cc(F)ccc2cc1C(=O)OCC1(CC#N)CC1 744277515 OBCCQVBKRFWEKM-UHFFFAOYSA-N 298.317 3.533 30 20 CHED COc1ccc(Cl)cc1C(C)=NOCc1cccnc1 746588847 UJXFITVNXRSPFH-UHFFFAOYSA-N 290.750 3.684 30 20 CHED Fc1ccc(/C=C\C=NNCc2cc(F)ccc2F)cc1 747753985 YCGJNDZVYONQBX-QUOARBMVSA-N 290.288 3.893 30 20 CHED C[C@@H]1CC(=NNc2cccnn2)C[C@@H](c2ccccc2)C1 749859579 RCZSUASHDGGOLD-ZFWWWQNUSA-N 280.375 3.848 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H](C)c1cnn(C)c1 749921977 YLALITPVWLNXTO-GJZGRUSLSA-N 293.455 3.636 30 20 CHED CCCCCCCCOCC(=O)N1CC[C@H](C)[C@H]1C 752391907 WQMBTJIQYUVIGK-LSDHHAIUSA-N 269.429 3.620 30 20 CHED C=CCc1cc(CN2CCC(CC)CC2)c(O)c(OC)c1 754728012 VCSAJCHTCFYCFQ-UHFFFAOYSA-N 289.419 3.751 30 20 CHED CCc1ccccc1NN=Cc1c(C)nn(CC)c1C 755642931 JSAVTAPLWQGSNU-UHFFFAOYSA-N 270.380 3.528 30 20 CHED C#CC[C@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 757003517 PGDVOEZZTXTRRG-YJBOKZPZSA-N 292.382 3.811 30 20 CHED C#CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 757601589 ZZULUHJJYSEPEM-JJJPLKNQSA-N 275.351 3.581 30 20 CHED CC[C@H]1CCCC1=NNCCCOc1ccccc1 758369612 HSQFRSWBSDRSDE-AWEZNQCLSA-N 260.381 3.611 30 20 CHED C#CCCCC(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 758498809 WPDNHLOWFWJUGC-MSOLQXFVSA-N 283.415 3.893 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)CC1(O)CCC1 760094728 HWBQSWHGJOEGNM-HNNXBMFYSA-N 298.471 3.539 30 20 CHED CO[C@@H]1Cc2ccc(N[C@H](C)c3cccc(C#N)c3)cc2C1 760882109 IVCHRNZAHBSZBH-BFUOFWGJSA-N 292.382 3.845 30 20 CHED C#CCCc1noc(-c2ccc([C@@H](C)CC)cc2)n1 762027262 PKPDCKGMRSXZKN-LBPRGKRZSA-N 254.333 3.816 30 20 CHED C=CCN(C(=O)Nc1ccccc1OCC(F)F)C(C)C 762220860 CTZPEDNWBYQATH-UHFFFAOYSA-N 298.333 3.759 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C[C@H]2C[C@H]3CC[C@H]2C3)o1 762424279 GNPWRKAWCBBJCP-SDDRHHMPSA-N 286.379 3.678 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)cc1 766584869 RSRYHOIQPFWZPI-JCVNQNCUSA-N 290.794 3.798 30 20 CHED COc1cc(C#N)ccc1NC(=O)/C=C/C1CCCCC1 766649049 MPHKPYJSSGVFJX-CSKARUKUSA-N 284.359 3.642 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1ccccc1OCC#N 768190995 XAJWAEDVKQTENO-CQSZACIVSA-N 295.338 3.815 30 20 CHED COc1cccc(/C=C\C(=O)c2ccco2)c1OC(C)C 769770407 HYUXUOLBPAOXAN-KTKRTIGZSA-N 286.327 3.972 30 20 CHED C=C(CC)COC(=O)[C@@H](CC)OC1CCCCC1 773536329 QXRQXGXRXAHDPU-CQSZACIVSA-N 254.370 3.624 30 20 CHED COc1cc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)ccc1SC 774592948 IPYYSESKBCWBFZ-UBHSHLNASA-N 290.432 3.529 30 20 CHED N#Cc1cccc(COC(=O)C2CCCCCC2)c1F 774940479 BXSTWKZSTHKQCW-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C#CC[C@@H](NCCCc1ccccc1)c1ccccc1 775401092 QHQRZSDVEVPRDL-LJQANCHMSA-N 263.384 3.973 30 20 CHED CC(C)c1ccc(CCC(=O)OCC2(C#N)CC2)cc1 775848640 AFKRCSVFITYSAZ-UHFFFAOYSA-N 271.360 3.590 30 20 CHED C#CC[C@H](N[C@@H]1C[C@@H](OCC)C12CCC2)c1ccccc1 776170980 LVYCZYQCOQIKTL-RCCFBDPRSA-N 283.415 3.688 30 20 CHED Cc1ncccc1/C=C1/CCc2ccc(F)cc2C1=O 776192453 JXAFEHIJHJHSHC-ZROIWOOFSA-N 267.303 3.742 30 20 CHED C=CCCCOC(=O)c1c(C(F)(F)F)ccnc1Cl 776470514 UCDINMULGBTPCM-UHFFFAOYSA-N 293.672 3.877 30 20 CHED Cc1ccc(Cl)cc1NC(=O)Cc1ccccc1CC#N 776739174 MZXJDFMEDIOMPM-UHFFFAOYSA-N 298.773 3.896 30 20 CHED CC#CCCNC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 779447079 QVYLTQYAIGLIIL-VAWYXSNFSA-N 295.304 3.638 30 20 CHED C#CCCCCCC(=O)N(CC)Cc1ccccc1 779716247 WIWGGUVDUUEFAM-UHFFFAOYSA-N 257.377 3.619 30 20 CHED C/C(=C/C(=O)Nc1ccccc1O[C@@H](C)C#N)C(C)(C)C 780147408 GYPDKRHWEZCUGX-UKVQZPPCSA-N 286.375 3.908 30 20 CHED C#CCCCCCC(=O)N1CC[C@H]1c1ccccc1 780375314 YCMFVVMUPYBPQF-INIZCTEOSA-N 255.361 3.544 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc2cc(F)ccc2[nH]1 782306106 KAFJBZNJUYBQPC-UHFFFAOYSA-N 288.322 3.794 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1cc(F)ccc1O 782349404 XZDARIYJOHEPMS-WAYWQWQTSA-N 289.331 3.761 30 20 CHED O=C1/C(=C/c2ccc3cnccc3c2)Cc2cc(O)ccc21 782352306 RVOSUKQRSKMJKP-LZYBPNLTSA-N 287.318 3.763 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2cccnc2)cc1C 783712301 FHUVIEZWPGIQAL-SREVYHEPSA-N 267.328 3.603 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1C[C@]12CCc1ccccc12 783954878 YYEYYSFPJAEMEC-LPHOPBHVSA-N 297.398 3.764 30 20 CHED Fc1ccc(C=NNC2CCCCC2)c(Cl)c1 786043783 XVEUEEMELSMSOH-UHFFFAOYSA-N 254.736 3.735 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cnn(C(C)(C)C)c1C 787152867 DYQDWQUUFVRWSV-UHFFFAOYSA-N 295.390 3.654 30 20 CHED CC(CCC(C)C)=NNc1nnc(-c2ccccn2)s1 788031734 HLOCETINRZAGND-UHFFFAOYSA-N 289.408 3.824 30 20 CHED CC(=NNC[C@@H](C)C#N)[C@@H]1C[C@H]1c1ccc(Cl)s1 788434626 JOTDYWNDUIAXGQ-INTQDDNPSA-N 281.812 3.630 30 20 CHED COc1cc(NN=C(C)[C@]2(C)CCCO2)ccc1Cl 788472807 ZZKCPPGHQBJLOZ-AWEZNQCLSA-N 282.771 3.706 30 20 CHED C=CCOC(=O)CCC[C@@H](C)c1cccc(OC)c1 789045761 UOHDFDLSOSAWEG-CYBMUJFWSA-N 262.349 3.698 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NNCCc2ccncc2)C1 789094935 XDXYUGISCHDTCB-LJQANCHMSA-N 293.414 3.712 30 20 CHED Cc1cccnc1NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 790187509 WWWUISLHLUWUTJ-RQJABVFESA-N 255.365 3.614 30 20 CHED CCCC(=NNc1nc2ccccn2n1)C1CCCCC1 790200202 QMLXDLSYZVUKKP-UHFFFAOYSA-N 285.395 3.878 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](OC1CCCC1)c1ccccc1 791200414 WEQAQBLMIPFVDF-AEFFLSMTSA-N 299.414 3.605 30 20 CHED COc1cc(F)ccc1NN=C[C@@]1(C)CCCS1 793052550 VQKUCJOKPHJXNP-CYBMUJFWSA-N 268.357 3.518 30 20 CHED C=CCCCCC[C@H](C)NCc1ncnn1-c1ccccc1 793565519 LSBRPYWWVCCPQS-INIZCTEOSA-N 298.434 3.882 30 20 CHED CCc1cc(N=Cc2cccc(O)c2O)ccc1F 794678462 BQJOMHKCAUTBMM-UHFFFAOYSA-N 259.280 3.550 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C/C(=O)c1ccccc1 794926195 JDKYIHHPBCNNDE-CMDGGOBGSA-N 280.323 3.898 30 20 CHED N#CC[C@@H](CC(=O)OCC1CCCC1)c1ccccc1 795979846 FHDOFXHDBXLEPP-INIZCTEOSA-N 271.360 3.807 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1O 796696414 RMXCAASBWWFVLG-INIZCTEOSA-N 284.334 3.644 30 20 CHED C=CCC[C@H](NC[C@H](O)c1ccc(CC)cc1)C1CC1 797020616 WCSWIGDWBRPWCG-ROUUACIJSA-N 273.420 3.617 30 20 CHED C#C[C@H](NC(=O)C(C)(C)c1ccc(Cl)cc1F)C(C)C 799046834 MTSPKABTKYSAMX-AWEZNQCLSA-N 295.785 3.531 30 20 CHED Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1C#N 799293503 MHVSYIQCLZEBRJ-OAHLLOKOSA-N 292.382 3.618 30 20 CHED Cc1ccc(C(=O)N2CCSc3ccccc32)cc1C#N 799296400 CADLISWVCBBGIL-UHFFFAOYSA-N 294.379 3.619 30 20 CHED CC(=NOC1CCCCC1)c1coc(C(C)C)n1 799484939 LVLQURYBNCNMQS-UHFFFAOYSA-N 250.342 3.871 30 20 CHED COc1ccccc1CON=C(C)c1coc(C(C)C)n1 799487280 JDBHTSWIHKNIFT-UHFFFAOYSA-N 288.347 3.747 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cc(F)c(N3CCCC3)c(F)c2)C1 799721638 PCIOFYBLHAXSEX-VXGBXAGGSA-N 291.345 3.669 30 20 CHED N#CCCCCCC(=O)OCc1cccc2cccnc12 805697694 DPUUHFDIROWWJZ-UHFFFAOYSA-N 282.343 3.752 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cccc(Cl)c1Cl 806107073 BQDFWDBBCBYXED-QMMMGPOBSA-N 271.147 3.527 30 20 CHED Cc1cc(C)c(C#N)c(SCC[C@H](O)c2ccccc2)n1 806581031 ISKJWYOBGDJNHT-INIZCTEOSA-N 298.411 3.786 30 20 CHED C#C[C@H](NC1CCN([C@@H]2CCCC[C@@H]2C)CC1)C(C)(C)C 809781225 JVGYVQIMFUMLDV-JQHSSLGASA-N 290.495 3.667 30 20 CHED C#C[C@@H](NCc1ccc(OC(C)C)c(OC)c1)C(C)(C)C 809781529 UXMVASZDUTZEGV-QGZVFWFLSA-N 289.419 3.620 30 20 CHED C#C[C@H](N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C 809782329 PDZGNSUGCXCRRB-QRQLOZEOSA-N 298.474 3.535 30 20 CHED C#C[C@H](NC(=O)Nc1cccc(C)n1)c1ccc(Cl)cc1 810204186 LAVRAZVTKQBFBI-AWEZNQCLSA-N 299.761 3.539 30 20 CHED C=CCCCCOC(=O)CCc1ccc(OC)c(F)c1 811012310 GSYREMCTXHSKTL-UHFFFAOYSA-N 280.339 3.666 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1cc(F)ccc1O 812243060 BOPXKSUBNDBETL-DJWKRKHSSA-N 290.265 3.575 30 20 CHED CCC1(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)CCC1 813213089 IPYNHKLFPZZHLO-LLVKDONJSA-N 296.292 3.857 30 20 CHED CC(=NNc1ccccc1Cl)c1cc(N)ccc1F 814691011 JGIJQLIBMKFDNS-UHFFFAOYSA-N 277.730 3.897 30 20 CHED CC(Cc1ccc(F)cc1)=NOCc1ccccc1 814793393 ZKSJRYHQDNYIFI-UHFFFAOYSA-N 257.308 3.961 30 20 CHED CCC(=NO[C@H]1CCCCO1)c1ccc(F)cc1F 814887891 SETWMQOFVBCRRY-AWEZNQCLSA-N 269.291 3.622 30 20 CHED CC(C)(C)c1ncc(C=NN[C@H]2CCCCC2(C)C)cn1 814916511 BGVYHZAIGHJRDV-AWEZNQCLSA-N 288.439 3.666 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C1CC[C@@H]1C1CCC1 814918959 JVBMSOUDLCDGPQ-SNVBAGLBSA-N 277.299 3.712 30 20 CHED N#C[C@H](C(=O)/C(F)=C\C1CCCCC1)c1ccccn1 815907197 VIPPLRRJEAWKOS-LFGHMXSPSA-N 272.323 3.692 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](C2CCCC2)C1 817466339 JRXNFZBLYYSIAX-MRXNPFEDSA-N 261.409 3.609 30 20 CHED Cc1c(Cl)cccc1NC(=S)N[C@@H]1CC[C@H](C#N)C1 819022550 QXVKNATVQUVZCL-WDEREUQCSA-N 293.823 3.627 30 20 CHED CC(C)CNC(=O)Nc1scc(C(C)(C)C)c1C#N 821481043 GXQAMPTYVWMTHZ-UHFFFAOYSA-N 279.409 3.695 30 20 CHED C=CCC1(NCc2cc(F)ncc2F)CCCCC1 825023359 BUTMFFOQWQAXMT-UHFFFAOYSA-N 266.335 3.728 30 20 CHED C=C(CC)CNCc1c(-c2ccccc2)nn(C)c1Cl 825220966 ANFLUDAMCOHXOU-UHFFFAOYSA-N 289.810 3.796 30 20 CHED CCn1nnc(C)c1/C=C\C(=O)c1ccc(C(C)(C)C)cc1 834400702 KVKLEOZTACLXMH-QXMHVHEDSA-N 297.402 3.800 30 20 CHED COc1cc(C)ccc1/C=C\C(=O)c1cnn(C(C)C)c1 834421867 VGLVHEHXGSUFQV-FPLPWBNLSA-N 284.359 3.677 30 20 CHED C=CC[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccncc1 834590352 UHMITFREVVNWNS-JKSUJKDBSA-N 280.371 3.682 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2cnn(C(C)C)c2C)c1 834902953 MBWGEVRXANLCLI-AWEZNQCLSA-N 281.403 3.605 30 20 CHED CC(C)(C#N)COC(=O)[C@H]1CCC[C@H]1c1ccccc1 835284321 GMWRTTVYCBOANK-GJZGRUSLSA-N 271.360 3.663 30 20 CHED CCC1(NC(=O)Cc2ccccc2CC#N)CCCCC1 836871118 FHDDPEUZLSITJZ-UHFFFAOYSA-N 284.403 3.524 30 20 CHED C=C(C)COc1cccc(NC(=O)C#CC(C)(C)C)c1 837389547 NFHDMWYTQQKUAN-UHFFFAOYSA-N 271.360 3.630 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 837458180 CUTFEDZHDDLMQR-ZDUSSCGKSA-N 289.341 3.663 30 20 CHED Cc1ccc2cc(C(=O)O[C@H]3CCC[C@H](C#N)C3)ccc2n1 839057688 UIJCWZSQCMAQPX-BBRMVZONSA-N 294.354 3.782 30 20 CHED CC[C@@H](OC(=O)C1(C#N)CCCCC1)c1ccncc1 839443781 FMVWHFGVCYBXPU-CQSZACIVSA-N 272.348 3.550 30 20 CHED Cc1cc(Cl)c2c(c1)CCCN2C(=O)CC(C)(C)C#N 839448630 GLUHPZONOSZWQO-UHFFFAOYSA-N 290.794 3.868 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C 839848826 FFMDVAWHSDFEGR-ZNMIVQPWSA-N 269.429 3.667 30 20 CHED CCCC1(C(=O)Nc2nc(Cl)c(C#N)s2)CCC1 841224320 KVXRPSZOAZQLMT-UHFFFAOYSA-N 283.784 3.577 30 20 CHED CC(CCCCC#N)=NNCc1ccc(F)c(F)c1 841619476 NQFUFLHTSJXQPF-UHFFFAOYSA-N 265.307 3.514 30 20 CHED CC(=NOCCC1CCOCC1)c1cc2ccccc2o1 842016760 CYBVMGARXQHSDQ-UHFFFAOYSA-N 287.359 3.990 30 20 CHED C#C[C@H](OC(=O)C1(CCOC)CCCC1)c1ccccc1 842365764 SKPVHNPHSHJEPF-INIZCTEOSA-N 286.371 3.501 30 20 CHED CCCON=Cc1cc(-c2ccncc2)ccc1OC 842555443 WOLNLDSCXAGCRQ-UHFFFAOYSA-N 270.332 3.518 30 20 CHED Cc1cccc(CC(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1 842941338 IRBKUJDOFPCFJU-CQSZACIVSA-N 296.395 3.748 30 20 CHED N#C[C@H](C(=O)C1CC2(CCC2)C1)c1nc(C2CC2)cs1 842942257 IBKUEBOUDPWBMP-GFCCVEGCSA-N 286.400 3.777 30 20 CHED C=C(C)CONC(=O)CCc1ccc(Cl)c(Cl)c1 846539796 NXODHMOPDZSIEZ-UHFFFAOYSA-N 288.174 3.550 30 20 CHED C=C[C@H](C)ONC(=O)CCCc1ccc2ccccc2c1 846549461 NTANNTKKIIAYTJ-AWEZNQCLSA-N 283.371 3.785 30 20 CHED CC1(C/N=C(/Nc2ccccc2)N2CCCCC2)CC1 849096557 TUQLYQSKLIBQRJ-UHFFFAOYSA-N 271.408 3.741 30 20 CHED C=CCN(C(=S)Nc1ccccc1Cl)[C@@H](C)COC 849277247 SXTMGJVKTGPHBG-NSHDSACASA-N 298.839 3.560 30 20 CHED N#CC1(OC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)CCC1 850882401 XXFHYMZIJCIKFQ-CVEARBPZSA-N 283.371 3.635 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1ncccc1C 851144382 RGVNPIHEGONVQZ-UONOGXRCSA-N 259.349 3.682 30 20 CHED CCCCS[C@H](C)C(=O)O[C@H](C)CC(C)(C)C#N 851211311 DMYQHRXRMBUJJY-VXGBXAGGSA-N 271.426 3.780 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(F)cc1C 853005879 LZIDEOSYGKGCOH-FNORWQNLSA-N 272.323 3.637 30 20 CHED COc1cc(C)nc(NN=C2CCC(=C3CCC3)CC2)n1 853315515 UMKUTXULFWJCRZ-UHFFFAOYSA-N 286.379 3.616 30 20 CHED Cc1c(NN=C[C@@H]2CC[C@H]3C[C@@H]3C2)cccc1C(=O)O 853370618 RUFNFGOIKCRHSC-AGIUHOORSA-N 272.348 3.527 30 20 CHED Cc1cc(-c2cnn([C@@H]3CCCCO3)c2)cc(C)c1C#N 854206815 ASAWKPMECDUPGB-KRWDZBQOSA-N 281.359 3.738 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H](C3CCCCC3)C2)o1 856305192 LSTCLBXYYHKTCJ-AWEZNQCLSA-N 286.375 3.584 30 20 CHED C#CCCOC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 859176027 PTMYPEBQDVVYMB-CQSZACIVSA-N 295.741 3.680 30 20 CHED N#CC1(OC(=O)Cc2cc(Cl)cc(Cl)c2)CCC1 860593737 LJTIKBDGMPQBPP-UHFFFAOYSA-N 284.142 3.525 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@@H](C)COc1ccccc1 860597502 KHVBEFHELCPWCS-AWEZNQCLSA-N 289.375 3.575 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1nc(C2CC2)cs1 860645053 JJJLDKONWIGXJJ-SNVBAGLBSA-N 292.404 3.955 30 20 CHED CSc1ccc(/C=C\C(=O)OCC(C)(C)CC#N)s1 860659221 ZKKMDCQKBUEYFD-XQRVVYSFSA-N 295.429 3.966 30 20 CHED CCCCCCCNC(=O)CCSc1ccccn1 862358821 XBJQKRMYSZFKDF-UHFFFAOYSA-N 280.437 3.650 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C\c2csnn2)cc1 863197488 RTDLUDVLUPIHRY-TYBABMIJSA-N 272.373 3.948 30 20 CHED CCCCCCCCNC(=O)C1(c2ccccn2)CC1 866959537 CBRFOJDMQVSDHI-UHFFFAOYSA-N 274.408 3.590 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(C#N)c(F)cc1F 880714109 HRJNNMZEIZURDW-ONGXEEELSA-N 293.317 3.631 30 20 CHED CCCCCCCC(=O)Nc1nnc(C(C)C)s1 887934832 WTDYXYJOVCVXRE-UHFFFAOYSA-N 269.414 3.961 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1-c1ncco1 889016318 RUBQYVDXYBXFFD-ZDUSSCGKSA-N 297.358 3.914 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2)nc(C2CCC2)n1 891870601 UGHKYEHMKSRALZ-UHFFFAOYSA-N 278.359 3.536 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(C(C)(C)C)co1 899213619 GKNVZVXQPPIKFY-JTQLQIEISA-N 250.342 3.513 30 20 CHED N#CC1(CCCCOc2c(F)cccc2[N+](=O)[O-])CCC1 901533985 FKAIFFZVDYJKLE-UHFFFAOYSA-N 292.310 3.977 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC(F)(F)F)c1ccccn1 902817431 GUINSCRLAVLSMQ-NSHDSACASA-N 286.297 3.579 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(CN(C)C)cc1C 909603138 YNJGQRCNOSXEAH-KRWDZBQOSA-N 274.408 3.597 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(C(=O)O)c(C(C)C)s1 910702015 AFDCFIYMFYIXKM-UHFFFAOYSA-N 296.392 3.506 30 20 CHED Cc1ccc(CC/N=C/c2cc3ccccc3nc2O)o1 915114073 BQTXAJBXPZSBST-WOJGMQOQSA-N 280.327 3.503 30 20 CHED C=C(C)CNc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 915216392 HVYLFDJJCYMRFY-GASCZTMLSA-N 286.419 3.793 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2c(C)n[nH]c2C)c1 915983817 ASCKUBIAMRTAQE-BQYQJAHWSA-N 254.333 3.539 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc3c2OCO3)c(C)c1 915985210 RETQRQFQOIFJRU-VQHVLOKHSA-N 280.323 3.928 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1cccc(Cl)c1 916240745 NWFCEZOGPAIEFB-UHFFFAOYSA-N 288.734 3.874 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)c1ccc(C)cc1 917559587 PYVLGGRLSAJLQM-VBEHJTROSA-N 269.344 3.889 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1c(F)cccc1F 918851421 CXTPELMGWMMEDD-SNVBAGLBSA-N 287.265 3.754 30 20 CHED CCCC[C@@H](CC)C(=O)OCCOc1ccccc1C#N 919223365 VAAVQZKGPYBFSV-CQSZACIVSA-N 289.375 3.697 30 20 CHED C=CCN(C(=O)NC[C@@H](C)c1ccc(F)cc1)C(C)C 920053820 HFNRHGNAUUZEPO-CYBMUJFWSA-N 278.371 3.535 30 20 CHED CCC[C@H](N[C@H](C)CC(C)(C)C#N)[C@@H](O)c1ccccc1 926333962 WIHHJUARNMHJKD-PVAVHDDUSA-N 288.435 3.807 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1coc2ccccc12 926347526 ZKYJFSLFLXPEEP-LBPRGKRZSA-N 254.333 3.777 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)C)c2ncccc12 930901519 GPDDCYNIXMLAMK-UHFFFAOYSA-N 295.386 3.555 30 20 CHED C=CCC1(O)CCN(Cc2ccccc2SCC)CC1 931750843 PHUSATRKMLQWDW-UHFFFAOYSA-N 291.460 3.702 30 20 CHED C[C@H](CN(C)C(=O)Nc1sccc1C#N)c1ccccc1 931848241 WDUVODIQIZTLFW-GFCCVEGCSA-N 299.399 3.887 30 20 CHED CCCCCCCCN1CCN(C(C)(C)C)CC1 1116212462 AOFXUNSFKLMXMV-UHFFFAOYSA-N 254.462 3.763 30 20 CHED CCCCCCCC(=O)N1CCc2cc(O)ccc2C1 1120757054 IFFRQEBDTDXXOB-UHFFFAOYSA-N 275.392 3.637 30 20 CHED C=C(C)CCC(=O)N[C@@](C)(CC)c1nc(C)cs1 1120949906 LJQWVYSELOAZEQ-AWEZNQCLSA-N 266.410 3.549 30 20 CHED CC1(C)Cc2cc(C(=O)O[C@H]3CCC[C@H](C#N)C3)ccc2O1 1129731185 QZNYTXAQFSHMOB-WFASDCNBSA-N 299.370 3.639 30 20 CHED Cc1ccc(COc2ccc(C#N)c(C)c2)cc1F 1166101865 PNYUYAHTFFOXCO-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1F 1219050043 NAKBICDOPQPKNM-OLZOCXBDSA-N 289.354 3.645 30 20 CHED CCCc1occc1C(=O)O[C@H](CC#N)c1ccco1 1263660828 QOPVDUBTHPDGFH-CQSZACIVSA-N 273.288 3.637 30 20 CHED CC(=O)c1cc(NC(=O)c2ccc(C)c(C#N)c2)ccc1C 1277484092 ZAQWVQUPMBMWMN-UHFFFAOYSA-N 292.338 3.630 30 20 CHED C[C@H]1CC[C@@H](C)N1c1ccc(C#N)c(Br)c1 1307000212 XJUMBFXOLMAZDH-AOOOYVTPSA-N 279.181 3.698 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2ccccc2)cc1OC 1320300135 YPEFLDXZFUSORH-GOSISDBHSA-N 297.398 3.653 30 20 CHED Cc1cccc(C(C)(C)CNc2cccc(CC#N)n2)c1 1320656060 OXJPDJHVOAVANU-UHFFFAOYSA-N 279.387 3.846 30 20 CHED CCOCc1ccc(N=Cc2c(O)cccc2OC)cc1 1322144478 MBGORRFRGDMYFC-UHFFFAOYSA-N 285.343 3.688 30 20 CHED COc1ccc(C[C@H](C)C=NOC(C)(C)C)cc1F 1325377586 NUNWWWHJUDXJRW-NSHDSACASA-N 267.344 3.814 30 20 CHED C=C(C)C(C)(C)c1nnc(-c2c(C)nc3ccccn23)o1 1327824556 TYQLYGKBAUJHIZ-UHFFFAOYSA-N 282.347 3.546 30 20 CHED CC(C)(C)ON=Cc1cc2cc(Cl)cnc2o1 1330720676 JRTFBBKWCHLIEV-UHFFFAOYSA-N 252.701 3.630 30 20 CHED C=CCC1(NC(=O)c2cnc(C(C)C)nc2C)CCCC1 1331430331 DQUWHELGYFLQBV-UHFFFAOYSA-N 287.407 3.527 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1ccc(C#N)c(Cl)c1 1334293242 KNQORGCCLZCQPY-UHFFFAOYSA-N 276.767 3.777 30 20 CHED CCCCCCCNC(=O)Nc1ccc(OCC#N)cc1 1335140972 GWVRAZUWYHZKBU-UHFFFAOYSA-N 289.379 3.681 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1CCc1ccccc1 1337025308 GJKVLTHWQNUKDF-KRWDZBQOSA-N 271.404 3.967 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccnc(Cl)c1Cl 1339280526 RFSGIHRQRYVLKG-JTQLQIEISA-N 299.201 3.959 30 20 CHED N#Cc1cccc(-c2nnc(C=C3CCCCC3)o2)c1 1341640363 LFDXPSYXUNBWSJ-UHFFFAOYSA-N 265.316 3.956 30 20 CHED CC[C@H](C(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1342636225 DKJQGURDDRRRQJ-UONOGXRCSA-N 282.318 3.591 30 20 CHED CC[C@H](C)CCCCC(=O)[C@@H](C#N)c1ncc(Cl)n1C 1344322183 JJXDTXHBPLBZGF-NWDGAFQWSA-N 295.814 3.856 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)cc1-n1cccc1 1357608305 DYZZGACBPLXBQF-GOEBONIOSA-N 294.354 3.635 30 20 CHED N#Cc1cc(N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)ccn1 1458370474 QVMYUAYBNSYUJO-OTWHNJEPSA-N 289.382 3.726 30 20 CHED N#Cc1nnc2ccccc2c1NC[C@@H]1CCC[C@H]1C1CC1 1472806590 XONFFMLWESFSRJ-KBPBESRZSA-N 292.386 3.740 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C(C)(C)Oc1ccccc1 1525936799 NPZQRTDWNACLKD-ZDUSSCGKSA-N 289.375 3.716 30 20 CHED Cc1ccc(Cl)cc1C(=O)N1CCc2c(C#N)cccc21 1526023954 VRWUDJWOXCYWQZ-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCc2c(C#N)cccc21 1529231288 AUYUKLUKJVUMLW-CYBMUJFWSA-N 284.403 3.910 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(-c2ccccc2)cc1F 1540822665 GSHBRYWHGWSKFP-LBPRGKRZSA-N 282.318 3.981 30 20 CHED C=C[C@H](C(=O)NC[C@@H]1CCCC(F)(F)C1)c1ccccc1 1548701223 ODKWMNBPODDFAT-HIFRSBDPSA-N 293.357 3.898 30 20 CHED CC1(N2CCCC2)CCC(=NNCc2cccs2)CC1 1552925784 QAJMSMFNSCVHAH-UHFFFAOYSA-N 291.464 3.622 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 1562939903 ZQSBVLLXYYMFQK-JSGCOSHPSA-N 285.391 3.909 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 1583670912 JSLNOXYZKDVMCH-HZPDHXFCSA-N 284.403 3.811 30 20 CHED Cc1cc(CON=Cc2ccc(C(=O)O)cc2)c(C)s1 1610462070 WEJPFKQHNJURCE-UHFFFAOYSA-N 289.356 3.614 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1Cc1cc(C#N)ccn1 1618195383 AYMOMLYSFXZOAX-ZRGWGRIASA-N 291.398 3.720 30 20 CHED CS[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 1620913770 VECSZSGNNBEMFG-ZIAGYGMSSA-N 294.851 3.975 30 20 CHED CCC1(CC)[C@@H](Nc2cc(C)cc(C#N)c2)C[C@@H]1OC 1621390460 VFASUASTLZPPRP-HOTGVXAUSA-N 272.392 3.872 30 20 CHED C[C@H]1CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1633952833 OOOQASUAPUHOEA-ZDUSSCGKSA-N 292.338 3.585 30 20 CHED CC(C)[C@@H]1CCCCCN1Cc1cccc(C#N)c1 1645054953 PPQLHSQDDZWTGK-KRWDZBQOSA-N 256.393 3.959 30 20 CHED CC[C@@H](CSc1ccc(Cl)cc1C#N)OC 1651842311 GVJCCRMSKVYAHA-NSHDSACASA-N 255.770 3.729 30 20 CHED Cc1nc(COc2c(C)cc(Cl)cc2C#N)cs1 1656654910 OKNBJSXLGWBNKJ-UHFFFAOYSA-N 278.764 3.864 30 20 CHED CC(C)C[C@H](C)NCc1cc(C#N)ccc1Br 1657624578 JXYVFQUTPZDZAK-NSHDSACASA-N 295.224 3.845 30 20 CHED N#Cc1ccc(NC(=O)N2CCC=C(Cl)C2)cc1Cl 1657862803 YEZVZKSAZWFLNL-UHFFFAOYSA-N 296.157 3.572 30 20 CHED CNc1ccccc1CN(C)[C@@H](C)c1cccc(C#N)c1 1659503731 ODOURWSAOLELAH-AWEZNQCLSA-N 279.387 3.793 30 20 CHED CC1(C)CCC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1 1662467239 YXJQVBCRUDVGRE-CYBMUJFWSA-N 289.354 3.788 30 20 CHED CC[C@H](C)CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C 1670821303 HSEBMRFBMWLHAR-LBPRGKRZSA-N 290.411 3.672 30 20 CHED Cc1c(NN=C2C[C@H](C)C[C@@H](C)C2)cccc1C(=O)O 1776087636 NEGJWSLCRUQGOD-GHMZBOCLSA-N 274.364 3.917 30 20 CHED C=CCC1(C(=O)O)CCN(CC/C=C\c2ccccc2)CC1 1776160507 KZAYGGAWRXGXRF-POHAHGRESA-N 299.414 3.833 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C)c([N+](=O)[O-])c2)o1 24717816 ZOAHIKGSEVLKHX-VOTSOKGWSA-N 271.272 3.701 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N(C)Cc2cccc(C#N)c2)C1(C)C 25103745 ZIQWDZHISYQMDV-IAGOWNOFSA-N 296.414 3.755 30 20 CHED CC(C)c1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1 32615136 SJYFPCKPSOUVOT-UHFFFAOYSA-N 292.382 3.954 30 20 CHED N#Cc1ccc(N2CCCCCC2)cc1C(F)(F)F 37306344 CIENQKDDBZMVSC-UHFFFAOYSA-N 268.282 3.957 30 20 CHED Cc1nnc(Sc2ccc3c(c2)CCC3)c(C#N)c1C 40217702 WVQMXJOQAFTKOY-UHFFFAOYSA-N 281.384 3.605 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C[C@H](C)c2ccccc2)n1 41521808 QQSCGQRJELOZJV-FZMZJTMJSA-N 284.384 3.822 30 20 CHED CCC[C@@H](C(=O)NCc1cccc(C#N)c1)c1ccccc1 45212195 BWLQOMOYBHSYJG-GOSISDBHSA-N 292.382 3.758 30 20 CHED N#Cc1ccc(OCCN2CCC[C@@H]2c2ccsc2)cc1 46089226 JRGXCLCREIPTQN-QGZVFWFLSA-N 298.411 3.836 30 20 CHED CCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 46346869 JQGDWQKSPABIPA-UHFFFAOYSA-N 294.354 3.680 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(C(F)(F)F)cc1 48151176 RPLGWVRDCGJYFF-UHFFFAOYSA-N 298.308 3.717 30 20 CHED C[C@H]1CCN(C(=O)c2sccc2C#N)c2ccccc21 52030948 FKHIZFYVPMMZCU-NSHDSACASA-N 282.368 3.774 30 20 CHED N#CC1(C(=O)Nc2cccc(-c3cnco3)c2)CCCCC1 57396592 BMQSIDLGKHLEKE-UHFFFAOYSA-N 295.342 3.754 30 20 CHED Cc1cc(C)cc(NC(=O)c2ccccc2CC#N)c1 58248221 SFLKHKUBBNPXSB-UHFFFAOYSA-N 264.328 3.622 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(Cl)c(Cl)c1 58575370 NNKKWCAPRKIUCB-VIFPVBQESA-N 257.164 3.727 30 20 CHED C[C@H](CC#N)N(C)Cc1c(Cl)cccc1Cl 59917544 ZYVOHAFDJJZKBZ-SECBINFHSA-N 257.164 3.727 30 20 CHED CC1(C)CCN(c2c(C#N)cnc3ccccc23)CC1 61821272 XDQJGIOXYNEXLR-UHFFFAOYSA-N 265.360 3.733 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cn2)c1 62545476 OMOIBPSCUFDDCU-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CSCc1ccc(NC(=O)c2cccc(C#N)c2)cc1 66551846 DPNJZAQENXVZRD-UHFFFAOYSA-N 282.368 3.674 30 20 CHED CCOc1cccc(/C=N/[C@H](C)c2c(C)noc2C)c1O 72613699 HNQPQFPCPRQTPV-IYPWXLATSA-N 288.347 3.576 30 20 CHED CCN(Cc1cccs1)C(=O)CCc1ccc(C#N)cc1 73079004 BWBNECSQZSQHQL-UHFFFAOYSA-N 298.411 3.601 30 20 CHED C[C@H](NC(=O)[C@H](C)CC1CCCC1)c1cccc(C#N)c1 75269337 CMZUZSSWSRLSRN-KGLIPLIRSA-N 284.403 3.952 30 20 CHED CC(C)CCN1Cc2cccc(NC(=O)C(C)(C)C#N)c2C1 76171040 SNKNLHWVWRXMCI-UHFFFAOYSA-N 299.418 3.537 30 20 CHED CC(=O)c1cccc(OCCCOc2ccc(C#N)cc2)c1 76422630 RUFIUTKPKRJWBY-UHFFFAOYSA-N 295.338 3.609 30 20 CHED N#Cc1ccc(N[C@H](CCCO)c2ccccc2)c(F)c1 77238086 HGPOACBBKWBGSW-MRXNPFEDSA-N 284.334 3.623 30 20 CHED Cc1ccc(C)c(C[S@@](=O)Cc2ccc(C#N)cc2)c1 78288677 FUUJLFVOVHRXNZ-HXUWFJFHSA-N 283.396 3.624 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1cc(C(C)C)on1 78628035 HLFBLRJYDQZPJB-UHFFFAOYSA-N 292.383 3.592 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(Cl)cc2F)c1 84058852 VNHSULKUOPCLNF-UHFFFAOYSA-N 280.711 3.665 30 20 CHED N#Cc1csc(C(=O)N2CCC(c3ccccc3)CC2)c1 84074273 AOKVBDCERLICJH-UHFFFAOYSA-N 296.395 3.640 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C=C2CCC2)n1 88817888 JYSLSTACCLTXSL-LLVKDONJSA-N 260.362 3.553 30 20 CHED Cc1ccc(CN(CCC#N)CCC(C)C)s1 93100822 WKBDQMAPTLVQII-UHFFFAOYSA-N 250.411 3.818 30 20 CHED CCN(Cc1cccs1)c1c(F)cc(C#N)cc1F 94195352 YZZSKSJASKYYNH-UHFFFAOYSA-N 278.327 3.924 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)/C=C\c1ccccc1C#N 96793792 WUHLTOQYPZDRAB-ASCRHOAZSA-N 296.395 3.853 30 20 CHED N#CCN(Cc1ccccc1OC(F)(F)F)C1CCCC1 104696140 ILPLHZHDNNPGDJ-UHFFFAOYSA-N 298.308 3.853 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccc2ccccc2c1 105271458 DJQPBQXOESDPOT-UHFFFAOYSA-N 280.371 3.723 30 20 CHED CCC/C(N)=N/OCc1csc(-c2ccc(F)cc2)n1 105606053 BLODAPQVMFADMN-UHFFFAOYSA-N 293.367 3.538 30 20 CHED CCCCCCCN1CCc2ccccc2[C@H]1C(=O)O 105903833 RYDCKMHUGOFZKR-INIZCTEOSA-N 275.392 3.641 30 20 CHED CC(=O)Nc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1 108145342 DEOVVVOESKXPCP-MHWRWJLKSA-N 291.350 3.776 30 20 CHED Cc1ccccc1C(=O)N[C@](C)(C#N)CCc1ccccc1 110013809 GRHVZNWIUDEQRP-IBGZPJMESA-N 292.382 3.640 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)c2ccccc2F)CC1 110359857 ZNOHWUSSNJAQKW-CYBMUJFWSA-N 275.367 3.744 30 20 CHED C=CC1CCN(C(=O)C[C@@H](CC)c2ccccc2)CC1 110359953 ZJHVKHUOVRBSRR-MRXNPFEDSA-N 271.404 3.995 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cn1 111998763 SGTRWAHOLPWIJL-ZZXKWVIFSA-N 278.714 3.592 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCNC2(CCC2)C1 115858970 YHNDTQOCGKEBTI-INIZCTEOSA-N 294.483 3.918 30 20 CHED C=CC[C@@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 116859640 AOGRTLDMJKATLU-LLVKDONJSA-N 281.783 3.578 30 20 CHED CC[C@H](C#N)N[C@@H]1CCSc2ccc(Cl)cc21 122200334 MLLXAHQHYLRTKN-ZYHUDNBSSA-N 266.797 3.769 30 20 CHED CC[C@H](C#N)N[C@H](Cc1ccccc1)c1cccs1 122242574 KMVLWNBKWGZOTH-HUUCEWRRSA-N 270.401 3.924 30 20 CHED C=CCC[C@H](NC(=O)C1[C@H]2CCC[C@H]12)c1ccccc1 123069208 DSTVVCHVYQMOQO-JYJNAYRXSA-N 269.388 3.856 30 20 CHED C#C[C@@H](C)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 123081603 LYUXNWKCSQFVCZ-MRVPVSSYSA-N 295.226 3.836 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C)n1 123748903 HSCPONKMDJENQK-UHFFFAOYSA-N 299.349 3.749 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1cc(F)ccc1OC 124504480 RGUMQPUJPWZXOU-LBPRGKRZSA-N 291.366 3.780 30 20 CHED Cc1noc(C)c1[C@@H](C)CNc1ccc(C#N)cc1F 129436930 DWYOPZLCMKPVFC-VIFPVBQESA-N 273.311 3.518 30 20 CHED C[C@@H](Nc1ccnc(Cl)c1)c1ccc(C#N)cc1 129838548 DDJPZSDAYCZVHB-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CCN(Cc1cccc(F)c1Br)C[C@H](C)C#N 130917808 DTZKQFFKRVZXAS-SNVBAGLBSA-N 299.187 3.570 30 20 CHED CC[C@@H](CC#N)NCc1cc(C)c(Br)s1 135039544 MPPIXTMYYRAMDA-VIFPVBQESA-N 287.226 3.601 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1csc2ccccc12 154299055 LMJKFQKEEOPYSY-CYBMUJFWSA-N 273.357 3.996 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(OC(C)(C)C)cc1 156107575 RIBAZBHCDPIDPE-LBPRGKRZSA-N 289.379 3.678 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1SC(F)F 156191586 YCBKHZBXCBYRBP-UHFFFAOYSA-N 272.320 3.699 30 20 CHED CCOc1ccc(NCc2ccc(C#N)cc2OC)cc1 157838762 BSDPVKGRIQQHFM-UHFFFAOYSA-N 282.343 3.578 30 20 CHED CCCCCCCCCC(=O)Nc1c[nH]c(=O)c(C)c1 159335845 BWFAGOSBDFJKLU-UHFFFAOYSA-N 278.396 3.763 30 20 CHED N#Cc1ccnc(SCC#Cc2cccc(Cl)c2)c1 159586389 GISIHNYFGJXDAR-UHFFFAOYSA-N 284.771 3.750 30 20 CHED N#Cc1ccc(NC[C@H](O)c2cc3ccccc3s2)cc1 161048284 GJHBATIBVBAIRD-HNNXBMFYSA-N 294.379 3.918 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1ccccc1F 165449055 GCVJOFBGWPJYCK-UHFFFAOYSA-N 268.335 3.638 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1ccc(O)c(F)c1 170851913 FMYBLWFWWUIVEE-GORDUTHDSA-N 278.229 3.706 30 20 CHED N#CCCCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 170968042 KPXKZXLEARUIPC-ZWKOTPCHSA-N 292.382 3.753 30 20 CHED C/C(=C\C(=O)N[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 172916979 MXTCABDAAFNXSG-RJCSOLBVSA-N 296.292 3.527 30 20 CHED N#CCc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 175315708 IXJABBMTFODVES-GDBMZVCRSA-N 283.375 3.549 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1cc(C#N)cs1 175872442 ABFBJBREAYLLTR-KGLIPLIRSA-N 280.462 3.774 30 20 CHED CCN(C(=O)[C@H](C)C1CC1)[C@H](C)c1ccc(C#N)cc1 178418160 QQVFETBVMFXYPF-CHWSQXEVSA-N 270.376 3.514 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cnc(C(C)C)s1 178939101 UBLJUHUKJGWTRZ-UHFFFAOYSA-N 285.372 3.699 30 20 CHED C[C@@H](SCCCc1cn[nH]c1)c1ccc(C#N)cc1 179834178 WKHHCCUBUYEZIW-GFCCVEGCSA-N 271.389 3.708 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ncccc1Cl 179981700 IRAMILOHQVFXJP-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)c1cc2ccccc2o1 180424269 SMNBVSRVUXQLBD-GFCCVEGCSA-N 257.333 3.571 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCSc2c(F)cccc21 180672703 ZMWCOVAUNSYBMV-ZDUSSCGKSA-N 294.395 3.580 30 20 CHED COC[C@H](C#N)Nc1cccc(CSC(C)C)c1C 181336840 KAZFIQPLSCFCRC-AWEZNQCLSA-N 278.421 3.587 30 20 CHED C=CC1CCN(C(=O)c2cc(C)n(C(CC)CC)n2)CC1 183552136 BVAVAUDPAUJDQD-UHFFFAOYSA-N 289.423 3.591 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2c(F)cccc21 184574051 AGBZHPOJNTYFBH-GFCCVEGCSA-N 276.355 3.643 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 184986650 YJTNGBQNWKGIQX-GOSISDBHSA-N 287.403 3.702 30 20 CHED CCOc1cc(F)ccc1N[C@@H]1CCC[C@H](C#N)C1 185732339 OQXLGVRSNCRJNS-WCQYABFASA-N 262.328 3.719 30 20 CHED C=C(C)[C@H](N[C@@H](C)CCOC)c1ccc(F)c(F)c1 186449154 RQSKKSKEYNTNET-NHYWBVRUSA-N 269.335 3.597 30 20 CHED C=CCN(CC=C)Cc1cc(-c2ccncc2)ccc1OC 186778054 VZICWDLOZOUEQL-UHFFFAOYSA-N 294.398 3.931 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2ccc(F)cc2C1 187690528 AQHBHWBEMQRVEK-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C[C@H](C#N)CNC(=O)CC(C)(C)Cc1ccc(Cl)cc1 187849235 JIWCYLFVODJLTK-GFCCVEGCSA-N 292.810 3.575 30 20 CHED CC[C@H](CC(=O)N(CCC#N)C(C)(C)CC)C(C)C 189902554 JRIIMUSTVWLHLW-CQSZACIVSA-N 266.429 3.990 30 20 CHED CCCn1c(C(=O)O[C@@H]2CC[C@H](C#N)C2)cc2ccccc21 191596280 WMDPPYRVUVCHDV-DZGCQCFKSA-N 296.370 3.900 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(SC)cc1OC 192649850 NKEAYQODXVFRAO-UHFFFAOYSA-N 292.404 3.623 30 20 CHED C=CCN(CC=C)C(=O)Cc1cccc(Cl)c1Cl 193668904 JNERBAPHTROGAW-UHFFFAOYSA-N 284.186 3.737 30 20 CHED CCN(CC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 193758771 UNBVLRXQDHOFLW-JTQLQIEISA-N 256.271 3.503 30 20 CHED C=CCCCCCOc1ccccc1-c1nnco1 195393358 UGACSNNTDNMBAH-UHFFFAOYSA-N 258.321 3.862 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cn1 208305710 KAXOBQUOGPYDQE-YHYXMXQVSA-N 268.360 3.614 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 218681562 OJIQFETVNXAAKW-OAHLLOKOSA-N 274.408 3.528 30 20 CHED N#Cc1cccc(CN2CC[C@H](c3ccccc3)C2)c1F 219519239 LBRWNOPUPNWUEV-INIZCTEOSA-N 280.346 3.687 30 20 CHED CC(=O)c1ccc(OCc2cccc(C#N)c2F)cc1F 219766688 WDONJYGCGOCYEX-UHFFFAOYSA-N 287.265 3.618 30 20 CHED N#Cc1ccc(NC[C@@H]2CCSC2)c(C(F)(F)F)c1 224334529 MKYOTSLAQYXLQT-JTQLQIEISA-N 286.322 3.742 30 20 CHED CC(C)=CCNc1cccc(Br)c1C#N 229132048 WKFGLLSOZPGKSP-UHFFFAOYSA-N 265.154 3.699 30 20 CHED C=CCC[C@@H](C)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 230660274 ABAKYXWIWYCHLL-HUUCEWRRSA-N 296.455 3.578 30 20 CHED Cc1ccccc1CCNC1CC(C#N)(c2ccccc2)C1 237724926 DTSCLYNJMIJGSC-UHFFFAOYSA-N 290.410 3.751 30 20 CHED CCN(C[C@@H](C)C#N)C[C@H](C)c1cccc(Cl)c1 249175986 FDGFKKRRSDUNJC-STQMWFEESA-N 264.800 3.925 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccsc1 255170022 WWCJRMCJUKAOTQ-UPHRSURJSA-N 266.268 3.628 30 20 CHED Cc1ccc(-c2nc(/C=C\C(=O)c3cccnc3)co2)cc1 255380061 PPBOZFCKFRVEMP-HJWRWDBZSA-N 290.322 3.941 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)cc2)s1 255893465 YSOMNIIYGXUZSZ-CLTKARDFSA-N 257.289 3.655 30 20 CHED N#Cc1ccccc1/C=C\c1nc(C2CCCC2)no1 255903558 REQVURRYIOBWBM-KTKRTIGZSA-N 265.316 3.769 30 20 CHED Cc1nc(C#N)cc(Nc2ccc(C(C)(C)C)cc2)n1 258886367 FFFLOCAJJFXWIW-UHFFFAOYSA-N 266.348 3.698 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 266567768 VMLBCGQNXOHHSD-GFCCVEGCSA-N 285.174 3.549 30 20 CHED C=CCC(CC=C)C(=O)NCC1(CCOCC)CCCC1 268406015 FQVPVLWJAJWRAC-UHFFFAOYSA-N 293.451 3.858 30 20 CHED CC(C)[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 268589492 FMMOWMLXTPWLMV-RTBURBONSA-N 294.398 3.579 30 20 CHED C=CCC[C@@H](CC)NCc1csc([C@@H](C)OC)n1 268894761 AMPHMGFLMLDLEE-VXGBXAGGSA-N 268.426 3.685 30 20 CHED Cc1cccc([C@@H](NC(=O)NCCCC#N)C(C)(C)C)c1 273295013 SZJDQKPGWDTXOW-OAHLLOKOSA-N 287.407 3.685 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1ccc[nH]1 274809187 UJIREEUBHFMQFN-INIZCTEOSA-N 285.778 3.877 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc2occ(C)c2c1 274823674 FJNZGVQSXTWMKT-UHFFFAOYSA-N 271.320 3.509 30 20 CHED C#CCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCCC1 276664776 OJGLGPQLERKTCE-UHFFFAOYSA-N 299.336 3.681 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N[C@H](CC)CC#N 280664412 DLPWYAZWIITAQV-OAHLLOKOSA-N 287.407 3.934 30 20 CHED N#CCCN(CC1CC1)C(=O)c1cccc(C2CCC2)c1 281433881 ZUBLVRKBYQJPAP-UHFFFAOYSA-N 282.387 3.720 30 20 CHED Cc1nsc(N2CCC[C@@H]2c2ccsc2)c1C#N 286248174 VAIIAFMDUWWHHR-GFCCVEGCSA-N 275.402 3.726 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cc(C(=O)OC)cs1 287477178 MQUDREKGKLJVNN-JQWIXIFHSA-N 267.394 3.540 30 20 CHED C=C(C)CN1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 289269729 DXHJOKXCDHRCKQ-HNNXBMFYSA-N 255.365 3.584 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCC(F)(F)C2)nc1 291895016 PJOFADITOIYABV-LLVKDONJSA-N 265.307 3.581 30 20 CHED C=CCn1c(SCSC)nnc1-c1cccc(C)c1 292548549 BTZDQERXOCNKCZ-UHFFFAOYSA-N 291.445 3.852 30 20 CHED C=C(CNC(=O)c1oc(C(C)C)nc1C)c1ccccc1 292719328 FSBLCLCVZYNFTN-UHFFFAOYSA-N 284.359 3.550 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 294064121 OXHPYRRJJRYZQX-CTYIDZIISA-N 275.367 3.790 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 295208905 UJTMPGABWZFENM-HIFRSBDPSA-N 275.367 3.790 30 20 CHED N#Cc1ccc(N2CCC([C@@H](O)c3ccccc3)CC2)cc1 298456783 WNGFVFCXVFTAIZ-IBGZPJMESA-N 292.382 3.508 30 20 CHED Cc1cccc([C@H](C)Nc2cccc(C#N)n2)c1C 301272999 KXEKTCPSZHOXNI-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C[C@]1(CNc2c(Cl)cccc2C#N)CCCC[C@H]1O 301488057 IYIOHMPSHOBHKF-UKRRQHHQSA-N 278.783 3.565 30 20 CHED C[C@H]1CCC[C@@H](C)CN1c1ccc(Cl)c(C#N)n1 301588434 PVRYYSBIUYTXHV-MNOVXSKESA-N 263.772 3.622 30 20 CHED CC1(C)C[C@@H](Nc2c(C#N)cnc3ccccc23)C(C)(C)O1 302032927 IZFWJXSXMNEHBS-OAHLLOKOSA-N 295.386 3.864 30 20 CHED CCCCCCCC(=O)NCCOc1ccc(F)c(F)c1 303260656 CWVSRJFQUGVQKY-UHFFFAOYSA-N 299.361 3.820 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC(F)(F)C2)c(F)c1 305899356 CBNNSARCTLQIIE-SNVBAGLBSA-N 254.255 3.545 30 20 CHED COc1ccc(C)cc1CNc1cc(C)cc(C#N)c1 308149841 GUMZVWZGQQEXJX-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CC1(C)CC[C@H]1Nc1c(C#N)cnc2ccccc12 312020289 VZTXPNAQBNEGEQ-CQSZACIVSA-N 251.333 3.707 30 20 CHED Cc1ncc(N=C(O)CC/C(O)=N/C2CCCC2)s1 328805382 HRMPMYGHWWUWNB-UHFFFAOYSA-N 281.381 3.719 30 20 CHED CC[C@@H]1CCC[C@H]1/N=C(/O)Nc1scnc1C1CC1 328924227 NNYCGGOUZIZJRD-MWLCHTKSSA-N 279.409 3.925 30 20 CHED COC1CCC(CC/N=C(/O)[C@@H]2CCC(=O)C[C@@H]2C)CC1 329465694 VFQVKJTVBYNODH-ADNDVJRGSA-N 295.423 3.544 30 20 CHED N#C[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)C1CCCCC1 329677887 WTLJBRGARQNBSQ-GOSISDBHSA-N 294.398 3.848 30 20 CHED CCC1(NC(O)=Nc2cccc(C(C)C)c2)CCOCC1 330716144 YTOULWUPFNPWMN-UHFFFAOYSA-N 290.407 3.904 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/C(C)(C)CC)s1 330901753 BDKTVEFHSIBYJC-SECBINFHSA-N 270.398 3.734 30 20 CHED CCC[C@H]1CCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)C1 330964843 BWTWPYWUKSCULO-GOEBONIOSA-N 285.391 3.647 30 20 CHED CCc1ccc(CC)c(N/C(O)=N/[C@H](C)[C@H]2CCCO2)c1 331252284 QDSLVUBORPIXSM-MLGOLLRUSA-N 290.407 3.705 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 333253365 YVMZVLJHUFSZMA-RVKKMQEKSA-N 288.435 3.791 30 20 CHED N#CCC1CCN(C(=O)c2ccc3ccccc3c2)CC1 334212602 ASXJRLORHLCIRL-UHFFFAOYSA-N 278.355 3.606 30 20 CHED Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@]1(C#N)C[C@@H]1C 334519012 VTHWCLYGYVNMTN-SCLBCKFNSA-N 291.354 3.545 30 20 CHED Cc1cc2c(S[C@H]3CC[C@@H](C#N)C3)ncnc2s1 334567378 XLOHDTUDFUMUPX-ZJUUUORDSA-N 275.402 3.784 30 20 CHED Cc1cc(C(=O)Nc2ccccc2CC#N)ccc1Cl 334923469 BBGVXOKJJSCFJD-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1 335953483 SEWJUUZMJGBBCQ-ORAYPTAESA-N 292.382 3.992 30 20 CHED N#CCCCC(=O)N1CCCSc2ccc(Cl)cc21 336027562 DOCGGETZENSAIC-UHFFFAOYSA-N 294.807 3.863 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(F)F)cc1 337056794 CRLDVVQTFMRFHQ-LBPRGKRZSA-N 253.292 3.709 30 20 CHED C=CCCSc1nnc(N2CCC(C)CC2)n1C1CC1 340666461 IJVCNUZTYQBVTH-UHFFFAOYSA-N 292.452 3.518 30 20 CHED N#CCCCC[S@@](=O)Cc1ccccc1C1CC1 341514109 QRKYJAAVWTZUMD-GOSISDBHSA-N 261.390 3.507 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc([C@@H](C)OCC)s1 343246321 HPEVXPNMMZDKPE-NWDGAFQWSA-N 296.436 3.715 30 20 CHED CCC(CC)(CCO)CNc1ncc(Cl)c(C)c1C#N 343430633 DLKBYDRGXWGKKP-UHFFFAOYSA-N 295.814 3.516 30 20 CHED C[C@H](NCc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 343683796 IFXJBBTVSDUNBB-ZDUSSCGKSA-N 295.342 3.512 30 20 CHED C=C(CC)CSCCOCC(F)(F)C(F)F 344878215 PTSTUEMBNCNZSR-UHFFFAOYSA-N 260.296 3.603 30 20 CHED Cc1ccccc1[C@@H](C)c1noc(-c2cc(C#N)oc2C)n1 346791421 ZRHPDEIRSFLKDP-LLVKDONJSA-N 293.326 3.970 30 20 CHED C[C@@H](NCc1ccc(CC#N)cc1)c1cccs1 348264841 ZUUDOEGHWCZVCO-GFCCVEGCSA-N 256.374 3.665 30 20 CHED CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl 352582039 DAVZWGWPNOBIOF-AWEZNQCLSA-N 290.794 3.862 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc2cccc(C)n12 353420392 GPVDCDGKABAZLP-UHFFFAOYSA-N 298.434 3.795 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2cc(C#N)ccc2NC2CC2)C1 355645081 QPNHMCWTWHPNRE-CHWSQXEVSA-N 297.402 3.897 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc3c(c2)OCCO3)no1 355940867 BSXUPNLLNLEARC-UHFFFAOYSA-N 298.342 3.744 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(-c2cc(C#N)cs2)n1 356570762 BYFSTKBIHIBSBS-MWLCHTKSSA-N 273.361 3.963 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnc([C@@H](C)CC)nc1 358153359 PXHHASUPNRSJNE-XHDPSFHLSA-N 261.369 3.531 30 20 CHED C=C[C@H](C)NC(=O)c1c(-c2cccc(Cl)c2)noc1C 358903910 NBFQHDIABKGFBC-VIFPVBQESA-N 290.750 3.608 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCC[C@H]1CCCCO1 360874434 SUFVBEAZYREASL-MJGOQNOKSA-N 298.430 3.875 30 20 CHED C[C@H](N[C@H]1COc2c(Cl)cccc21)c1cccc(C#N)c1 362796996 LKOUVQZLFSYCSC-ZBEGNZNMSA-N 298.773 3.996 30 20 CHED C#CCC1(C(=O)N2CC(C3CCCC3)C2)CCCCC1 373713566 IGSVPOFEJYTRKA-UHFFFAOYSA-N 273.420 3.609 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 397675762 GZZYRJQHEQTNLI-NSHDSACASA-N 266.747 3.605 30 20 CHED CCC[C@H]1CCc2c(sc(=O)n2CCC(C)(C)C#N)C1 410308421 MWZKPULEIQMDJH-LBPRGKRZSA-N 292.448 3.755 30 20 CHED C=C1CCN(Cc2cnc3ccc(C)cc3c2)CC1 411273273 IVGRLZGYAMRKTC-UHFFFAOYSA-N 252.361 3.695 30 20 CHED CCCOc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1OC 411459900 ZUYWGNKOCJJDLV-ZIAGYGMSSA-N 290.407 3.827 30 20 CHED CCN(C(=O)[C@H](C)CC(F)F)[C@H](C)c1ccc(C#N)cc1 412127333 FSWHUHSXYZHGOF-VXGBXAGGSA-N 294.345 3.759 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412379893 HFRQKPLNDFEXRI-LEUOFYLZSA-N 296.414 3.604 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)C1CCCC1 413810941 AQTGISFFWNVYIX-MRXNPFEDSA-N 286.419 3.758 30 20 CHED CC[C@@H](NCC(C)(C)OCC1CC1)c1ccc(C#N)cc1 414249271 AGKCIVTZVKQINN-QGZVFWFLSA-N 286.419 3.804 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccc(C2CC2)cc1)C1CC1 419582081 JXOTZFKRZPCOET-ZDUSSCGKSA-N 284.403 3.985 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccs1 424059966 BZSXQJNQCDEGQX-LBPRGKRZSA-N 299.399 3.522 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1C(C)(C)C1(C)C 425486740 VFIOCEAAIYUSSP-LBPRGKRZSA-N 299.418 3.695 30 20 CHED N#CCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 425998711 AEEGNOKAWUMWNS-UHFFFAOYSA-N 294.276 3.969 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)CCCC(F)(F)F 427746365 FUKZPZSWZPPATP-ZYHUDNBSSA-N 265.319 3.826 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)CCc1ccccc1 429924150 LPBRZVLYBIQDKH-AWEZNQCLSA-N 259.393 3.726 30 20 CHED C=CCN(CCC#N)C[C@H](C)CCc1ccccc1 430096258 FAPCPEUDMYSCAQ-MRXNPFEDSA-N 256.393 3.657 30 20 CHED CC(F)(F)c1ccc(CNc2cnccc2C#N)cc1 432141207 CNTYQDVFWPKJKP-UHFFFAOYSA-N 273.286 3.677 30 20 CHED N#Cc1nn(Cc2cc(Cl)ccc2F)c2ccccc12 432476291 MJPHXOQKIGNRNB-UHFFFAOYSA-N 285.709 3.749 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(C(C)(F)F)cc1 432567900 IULVFPWQZNTGGE-UHFFFAOYSA-N 282.334 3.516 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)Nc1ccc(CC#N)cc1 432636181 BDAPBSJFDNRIDI-UHFFFAOYSA-N 287.407 3.946 30 20 CHED C=CCOc1cccc(CN(C)Cc2ccccc2)c1 435232648 NQMXRHRRUVAHOY-UHFFFAOYSA-N 267.372 3.883 30 20 CHED CCC(CC)[C@H](CCNc1c(C#N)cccc1C#N)OC 436392997 UBWUEQMCEDZXOD-INIZCTEOSA-N 285.391 3.683 30 20 CHED COc1ccc(C)cc1CS[C@H]1CC[C@@H](C#N)C1 439266703 RBNAJCZDDUCSFG-OCCSQVGLSA-N 261.390 3.929 30 20 CHED COc1cc(CN(C2CC2)[C@H](C)C(C)C)ccc1C#N 442808519 HQRBUASTURGOIT-CYBMUJFWSA-N 272.392 3.576 30 20 CHED CCCCOc1ccccc1N[C@H]1CC[C@H](C#N)C1 442856605 OIFQJJYRXSGZOS-KBPBESRZSA-N 258.365 3.970 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCCC(C)(C)C2)CC1 443174576 GYOIDNOCNWEPKA-AWEZNQCLSA-N 264.413 3.563 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)NC1(C#N)CCCCC1 448848271 YTJUFMWWQQULLI-KBPBESRZSA-N 262.397 3.545 30 20 CHED CC(C)COc1ccccc1CNCCCCC#N 449132054 RLYXAWRNMLHUAQ-UHFFFAOYSA-N 260.381 3.505 30 20 CHED C=CCCCC[C@H](C)NCCc1c[nH]c2ncccc12 449207829 QMGAJANORJEGIX-AWEZNQCLSA-N 271.408 3.830 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 449353144 YLULOCITTDLVGP-RSAASHCRSA-N 276.330 3.624 30 20 CHED CC(C)(C#N)CCCCN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 450853143 DTWDBUSAURIAFI-BZUAXINKSA-N 290.451 3.644 30 20 CHED C=CCCc1noc([C@H]2CC[C@@H](c3ccccc3)O2)n1 453225007 CTJVUEAOTJTDFM-UONOGXRCSA-N 270.332 3.781 30 20 CHED C=CC(C)(C)CN[C@H]1CCCc2nc(C)sc21 453303568 CYTAAGJZDPWBBM-NSHDSACASA-N 250.411 3.631 30 20 CHED C=CC[C@H](C(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1)c1ccccc1 456251422 MGVISYSFAHIVQH-GBESFXJTSA-N 295.426 3.993 30 20 CHED C=CCC1(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)CCCC1 456253184 NJXVQEGHQMJNSL-HZPDHXFCSA-N 273.420 3.770 30 20 CHED C=C(CC)CNC(=O)[C@H](C)Cc1cccc(Cl)c1 456815684 YXCKJZPQMVDXMA-GFCCVEGCSA-N 265.784 3.601 30 20 CHED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 457307081 VWTLFIMFUCFDOV-WMZOPIPTSA-N 296.414 3.531 30 20 CHED CCc1ccccc1CC(=O)Nc1sc(C)c(C)c1C#N 467847203 VVOBYSXJNGJUGK-UHFFFAOYSA-N 298.411 3.980 30 20 CHED N#Cc1ccc(F)cc1CN1CCC[C@@H]1Cc1ccccc1 469280786 VTWQQFQJKXUJKX-LJQANCHMSA-N 294.373 3.904 30 20 CHED C=CCOCCCN1CCC(=Cc2ccccc2F)CC1 470788954 IJGVEWOOVPJWMI-UHFFFAOYSA-N 289.394 3.898 30 20 CHED C=CCOCCCN1CCCC(C)(C)[C@@H]1CC=C 470870102 PQNPAFTWOCXENK-HNNXBMFYSA-N 251.414 3.646 30 20 CHED C=CCCC1(C(=O)N2CCc3cc(Cl)ccc3C2)CC1 477018448 JGFUVKLEOXOUEZ-UHFFFAOYSA-N 289.806 3.971 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 481658711 MGZZHNIZKHJOFX-VXGBXAGGSA-N 289.354 3.645 30 20 CHED CCN(CC)C[C@@H]1CCCC[C@H]1NCCCC(C)(C)C#N 482152454 RCGNWRCMWLJNND-DLBZAZTESA-N 293.499 3.807 30 20 CHED Clc1cccc(C#CCN(CC2CC2)C2CCC2)c1 483310756 WTDXTAUPYKVPOJ-UHFFFAOYSA-N 273.807 3.956 30 20 CHED Cc1nc(N2C[C@@H](C)C[C@@H]2c2ccccc2F)ccc1C#N 488049499 MATSQTPMMFVZJS-YVEFUNNKSA-N 295.361 3.988 30 20 CHED N#Cc1cc(F)c(NCCc2cccc(F)c2F)c(F)c1 488180952 NAZKRHQNXYZMIG-UHFFFAOYSA-N 294.251 3.769 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(C)=O)c(C)c1 488897943 NRFDRVDQNNKOKO-HNNXBMFYSA-N 286.375 3.770 30 20 CHED C=CCCCS(=O)(=O)N(CC)[C@@H](CC)c1ccccc1 489282989 VBTLCCYHHSLINX-INIZCTEOSA-N 295.448 3.756 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sccc1-c1ccccc1 491524521 MKUNAKHGOILQKF-GFCCVEGCSA-N 269.369 3.509 30 20 CHED CC(C)(COCc1ccccc1)NCc1ccccc1C#N 500417611 UKANAXQFGCKDNC-UHFFFAOYSA-N 294.398 3.643 30 20 CHED CC[C@H](CC(=O)NCC#Cc1ccccc1)c1ccccc1 504955755 OXIMAWSLWWABSP-GOSISDBHSA-N 291.394 3.738 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnc2ccc(C)cn12 508558311 AGKHIQDFPRUDFC-UHFFFAOYSA-N 291.398 3.831 30 20 CHED Cc1ccc(SCC(=O)N(CCC#N)C(C)C)c(C)c1 522590008 YKAYVZLYJVKYTE-UHFFFAOYSA-N 290.432 3.546 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(C)(C(C)C)CC1 529073666 JGRWPEIREPYFJI-UHFFFAOYSA-N 264.413 3.601 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(C(C)C)c(Cl)c1 530322716 QYXXPNORRCMZGU-GFCCVEGCSA-N 278.783 3.885 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)s2)[C@@H]2CCCC[C@H]12 531147417 TYRATAZYZXFMLB-MRVWCRGKSA-N 288.416 3.661 30 20 CHED CC(C)(C#N)CCN1CCN(CC2CC2)c2ccccc21 535663859 QODLLRSROSMMLP-UHFFFAOYSA-N 283.419 3.663 30 20 CHED N#Cc1cccc(CN2CCCC23CCCCC3)c1F 537031440 PYYDGFXVPTWAIA-UHFFFAOYSA-N 272.367 3.996 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccc(F)cc1Cl 537230820 MBXIINFSIVQGTB-LLVKDONJSA-N 283.774 3.883 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cc(F)cc(F)c1OC 537528031 BCULAMCUENGCDV-ZJUUUORDSA-N 255.308 3.986 30 20 CHED Cc1cc(C)c(CC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(C)c1 538017304 BRKCVNRJKAJMHE-BFUOFWGJSA-N 298.430 3.743 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(Cl)c1F 540525449 NPRJTZOAYOPQDW-JTQLQIEISA-N 269.747 3.954 30 20 CHED C=CCCCCCN(C)C(=O)NCC[C@@H]1CCO[C@@H](C)C1 541372989 DXZCRYUFXAOWGE-JKSUJKDBSA-N 296.455 3.579 30 20 CHED C=CCCCN[C@@H](Cc1ccccc1OC)C(C)C 544454587 IBNQUCJYJQUVAX-INIZCTEOSA-N 261.409 3.818 30 20 CHED CC(C)n1cccc1C(=O)N[C@](C)(C#N)C1CCCCC1 551798686 IJODOESXTFUBLR-QGZVFWFLSA-N 287.407 3.661 30 20 CHED Cn1cncc1CCCSc1ccc(C#N)cc1Cl 565240918 JMBJUZZQPGXKRH-UHFFFAOYSA-N 291.807 3.670 30 20 CHED C=CCCc1ccccc1NC(=O)NC1(CF)CCC1 565538449 TXOKSNQEKSAHDZ-UHFFFAOYSA-N 276.355 3.819 30 20 CHED Cc1nc(CCNc2cccc(C(F)F)c2C#N)c(C)o1 566484667 QFCREKYYRVBWGB-UHFFFAOYSA-N 291.301 3.755 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1nccc2ccccc12 577666757 JVRKTGMGCLQZJD-AWEZNQCLSA-N 287.366 3.957 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@H](F)C1 582119282 PURBQFBZIFYZCO-KBPBESRZSA-N 270.392 3.655 30 20 CHED Cc1ccc2[nH]c(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2c1 584031202 DPCRQWSQLWGFII-MRXNPFEDSA-N 295.386 3.631 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(F)c2F)cc1O 588386911 OCFSZWCEIZIKTH-ALCCZGGFSA-N 290.265 3.575 30 20 CHED CC(C)c1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)nc1 589438065 VWLVXOZZKMHCMM-ZDUSSCGKSA-N 293.370 3.568 30 20 CHED Cc1cc(CCNC(=O)CCCCCC#N)ccc1Cl 589715444 AECKXEKMBXRTJM-UHFFFAOYSA-N 292.810 3.781 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC[C@](C)(C#N)C3)c2c1 589865140 SKBVLAGKUJCRSR-GOSISDBHSA-N 290.370 3.545 30 20 CHED CC[C@H](C#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C 593704292 DFIMWEPLHBKOTJ-IUODEOHRSA-N 292.810 3.746 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593957873 CYMFIPIFLVXTPK-SOUVJXGZSA-N 298.430 3.678 30 20 CHED C[C@H](SCCc1ccc(C#N)cc1)C(=O)OC(C)(C)C 594895113 DEURPHZAOABTLX-LBPRGKRZSA-N 291.416 3.564 30 20 CHED C=CCCSCCN[C@@H](CC)c1ccc(C#N)cc1 595058305 HBNREUAEQVGNDN-INIZCTEOSA-N 274.433 3.908 30 20 CHED COc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1C 595106339 SMJAULOJQMSUMV-SFHVURJKSA-N 292.382 3.652 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC3(CCc4ccccc4O3)CC2)C1 595829566 WCKVJEQPJGJQMV-WBVHZDCISA-N 296.414 3.538 30 20 CHED Cc1ccc(C#N)nc1N1CCC(c2ccsc2)CC1 596199776 JBZLOZOUTAEASW-UHFFFAOYSA-N 283.400 3.707 30 20 CHED COc1ccc2oc(CN3CCC[C@H](CC#N)C3)cc2c1 597175769 DPBYMSNTUHTNDX-CYBMUJFWSA-N 284.359 3.567 30 20 CHED C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccsc1 597625712 KNIHAOCATXPCLY-GFCCVEGCSA-N 276.405 3.789 30 20 CHED C=C(CC)CS[C@H]1CCN(C2CCCCC2)C1=O 600625546 OJJGCTKOCYAZHI-AWEZNQCLSA-N 267.438 3.619 30 20 CHED CC(C)COC[C@H](NC[C@H](C)CCC#N)c1ccco1 602529294 GAWHKVKTQNLNKS-CABCVRRESA-N 278.396 3.523 30 20 CHED C[C@@H](CCC#N)CN[C@H](c1ccccc1)c1cccnc1 602533800 DKOSDQAADLKSBD-MAUKXSAKSA-N 279.387 3.700 30 20 CHED COc1cc(C)c([C@@H](C)N(CCC#N)CCC#N)cc1C 602579441 BMTHDQUZSRODMU-OAHLLOKOSA-N 285.391 3.502 30 20 CHED C=CCn1c(C)nnc1SCCC1CCCCC1 608101079 UCYNNJZHNPMNGN-UHFFFAOYSA-N 265.426 3.835 30 20 CHED CC1CCC(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 610355423 QCOYCYYKDLXLPY-SLTAFYQDSA-N 299.418 3.745 30 20 CHED C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)C1CCCC1 610521521 DLIWTIVEUSLCRV-XHDPSFHLSA-N 290.794 3.847 30 20 CHED N#CCC[C@H](C#N)COc1ccc(-c2cscn2)cc1 611113062 HZZGAQWFSULSBA-GFCCVEGCSA-N 283.356 3.632 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C#N)cc1 611553991 AOIAGORDCGZSBV-FZMZJTMJSA-N 282.309 3.721 30 20 CHED CC#CCCSCc1nc(-c2ccccc2C)no1 613168865 KOOPOZDSEHZDNA-UHFFFAOYSA-N 272.373 3.692 30 20 CHED CC(C)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 614816141 SVYTWIMAZKIUFR-PBHICJAKSA-N 299.418 3.697 30 20 CHED CC(C)=CCNC(=O)c1c(Cl)cc(C#N)cc1Cl 616488247 ZFSGDESRFMEFRB-UHFFFAOYSA-N 283.158 3.561 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(C)c(C)c1 618165352 RWDVPNFHBUQRLG-UHFFFAOYSA-N 259.393 3.564 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)C1CCSCC1 618804556 BANLOBSTAVWVST-SJKOYZFVSA-N 286.444 3.667 30 20 CHED C=CCC1(NC(=O)c2cccc3[nH]ccc23)CCCC1 619114778 NGJYKBVZHZOHNN-UHFFFAOYSA-N 268.360 3.787 30 20 CHED C=CCCC(C)(C)NC(=O)CNc1c(C)cccc1C 620858576 KBICBGNFSAKTJX-UHFFFAOYSA-N 274.408 3.576 30 20 CHED C=CCN(C(=O)CCCc1ccc(F)cc1)C(C)(C)C 622945535 HIQBAJIZDRERDM-UHFFFAOYSA-N 277.383 3.962 30 20 CHED C=CCN(C(=O)c1ccc2nccc(C)c2c1)C(C)(C)C 622945957 ZTPCEHNEEWGXOD-UHFFFAOYSA-N 282.387 3.970 30 20 CHED C=CC[C@@H]1CCCN(Cc2cccnc2C(F)(F)F)C1 625534436 BPNCQRJITWMKJD-GFCCVEGCSA-N 284.325 3.889 30 20 CHED C=CCCC(=O)N1CCC(c2ccc(CC)cc2)CC1 629412669 ICERPIMDDRECDZ-UHFFFAOYSA-N 271.404 3.921 30 20 CHED C=CCn1cc(-c2cccc(COC(C)C)c2)cn1 629703497 DHJINDONYZLVRW-UHFFFAOYSA-N 256.349 3.661 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(F)cc1SC 646548667 BDQWNWIOOIVLGK-UHFFFAOYSA-N 268.357 3.587 30 20 CHED C=CCCC[C@@H](C)NCc1cncc(Br)c1C 657429789 WVQONDGGAVKDFQ-LLVKDONJSA-N 297.240 3.987 30 20 CHED C=CCC1(NC/C=C\c2ccc(F)cc2)CCOCC1 657633807 XSGRQIAOSWDWAG-ARJAWSKDSA-N 275.367 3.554 30 20 CHED C=CC[C@@H](CC)NC(=O)N1C[C@@H](CC)CC[C@@H]1C 661123480 OQTHQWOMESMJBH-MELADBBJSA-N 252.402 3.561 30 20 CHED C=CCC1(NC(=O)c2c(C)noc2C(F)F)CCCCC1 661891183 BEMAKNMJYSYZOF-UHFFFAOYSA-N 298.333 3.929 30 20 CHED C=C(C)CSc1nnc(NCCc2ccccc2)s1 677826058 RUBOGRDKVXFIRR-UHFFFAOYSA-N 291.445 3.861 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccc(CC)cc1)C1CC1 678495754 AENGUHDHZKKZIE-ZDUSSCGKSA-N 257.377 3.530 30 20 CHED C=CCCOCc1nc(-c2ccc(SCC)cc2)no1 683604905 ZTLCOGVMDGVRKO-UHFFFAOYSA-N 290.388 3.941 30 20 CHED Cc1cc([C@@H](C#N)C(=O)C[C@@H](C)C2CCCCC2)nc(C)n1 726320386 QAZJVUCUARHIIE-MLGOLLRUSA-N 299.418 3.876 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)o1 726876529 SWIRVACUUJGXFV-PLNGDYQASA-N 285.130 3.524 30 20 CHED Cn1ccc2c(N=Cc3cc([N+](=O)[O-])ccc3O)cccc21 726893260 ZEGIOAIDCLDEBC-UHFFFAOYSA-N 295.298 3.543 30 20 CHED O=[N+]([O-])c1ccccc1C=NNc1cccc2cnccc12 728432154 NRWXJZDYYGAQKP-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C#CCOc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1 733325051 UKOZMNAIMRXWEX-KDOFPFPSSA-N 295.382 3.705 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1ccc(Cl)cc1 734985189 BZIMEPLUEIPELS-SECBINFHSA-N 254.786 3.591 30 20 CHED CC(=NNc1cccnn1)c1ccc2c3c(cccc13)CC2 735976505 IWQHRCWEUFJRTE-UHFFFAOYSA-N 288.354 3.565 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CCC)c1ccccc1 736398916 IWBGEPUBFUVWFI-ZDUSSCGKSA-N 266.772 3.580 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)OCc1ccccc1C#N 738762606 ABARTKDZYVIVNJ-CYBMUJFWSA-N 297.329 3.619 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCC[C@H](C)C1 741638365 AXGDKIKMCIQBSB-STQMWFEESA-N 289.350 3.603 30 20 CHED Cc1nc(Cl)cc(NN=C/C=C/c2ccccc2)n1 741763754 FSKAAYJECLELOA-ULTNTOHPSA-N 272.739 3.550 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(OCC)cc1 742376173 OHMSVCUOBAJPLD-UHFFFAOYSA-N 299.345 3.849 30 20 CHED C[C@H](NC(=S)Nc1ccccc1)c1cccc(C#N)c1 743059361 FJSYVVSLPBAYBP-LBPRGKRZSA-N 281.384 3.606 30 20 CHED COCc1cccc(C=NNc2cc(F)cc(F)c2)c1 743438197 KTWCRKUHAHEAJS-UHFFFAOYSA-N 276.286 3.557 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc2c(c1)CCO2 743450273 OOZOZWTVRRMLQA-UHFFFAOYSA-N 287.750 3.506 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ncoc1C 745773562 XJSQGDOFDALQJM-LBPRGKRZSA-N 266.385 3.709 30 20 CHED Cc1ccsc1CCCC(=O)OCc1ccccc1C#N 748430646 QFXBAJJADSNDHP-UHFFFAOYSA-N 299.395 3.994 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@H]1c1sccc1C 748448865 MPYBSEHTLWYIKE-VXGBXAGGSA-N 250.363 3.669 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccnc(Oc2ccccc2)c1 750648640 YFVVJQKBSAYSFQ-OAHLLOKOSA-N 296.326 3.579 30 20 CHED C/C=C(/C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 751363155 GFUWJYBLNZNELG-ACAGNQJTSA-N 256.349 3.513 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3ccc(F)cc3)ccc21 751527471 VRSPBLKCWRDMAM-OQFOIZHKSA-N 281.330 3.714 30 20 CHED C#CCCSc1nnc(Nc2cccc(F)c2)s1 751766115 ZXSJGUPYKPDZJC-UHFFFAOYSA-N 279.365 3.536 30 20 CHED C#CCOc1ccc(CNc2ccc3scnc3c2)cc1 752978102 XJXFMMCCBYGZIU-UHFFFAOYSA-N 294.379 3.920 30 20 CHED CC(C)(O)CCON=C1c2ccccc2-c2ccccc21 754279811 POMQKJGYUWUCNI-UHFFFAOYSA-N 281.355 3.597 30 20 CHED C#C[C@@H](CC)NC(=O)C1(c2cccc(Cl)c2)CCCC1 754680671 YXBMNONGEFYFPT-HNNXBMFYSA-N 289.806 3.680 30 20 CHED CCn1cc(C(C)=NOc2ccccc2C(F)(F)F)cn1 754708844 FUKLGODFLHJTFT-UHFFFAOYSA-N 297.280 3.725 30 20 CHED CC(C)c1nc(C=NNc2ccccc2)c2ccccn12 755461300 BLXCJPMUCBTRHW-UHFFFAOYSA-N 278.359 3.904 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)[C@@H]1CCc2ccccc21 755700852 PBSBGQLUJBMRJR-HNNXBMFYSA-N 287.366 3.784 30 20 CHED C(CCc1ccccc1)=NNc1ncnc2ccsc12 755795219 VLOCLXSRMRLDID-UHFFFAOYSA-N 282.372 3.722 30 20 CHED C=CCC[C@H](NCc1cc(Cl)ccc1Cl)C(=O)O 756389681 RUEXTYPCMKDYFS-LBPRGKRZSA-N 288.174 3.502 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1cc(O)ccc1O 757467218 BYAZDXJCIADYRL-SOFGYWHQSA-N 291.306 3.542 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1cc(F)cc(F)c1O 757472540 KBCZJIKPLVYHKH-PLNGDYQASA-N 278.229 3.706 30 20 CHED Cn1c(Cl)nc(Cl)c1/C=C1\CCCC(C)(C)C1=O 757535488 VCPXYQMIOJYKAN-BQYQJAHWSA-N 287.190 3.890 30 20 CHED C#CC[C@H](NC(=O)CCc1ccccc1)c1ccccc1 757595040 DLKOCNQBGDYUSC-SFHVURJKSA-N 277.367 3.500 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 758515801 DXODLMBYVPACQR-GFCCVEGCSA-N 289.331 3.967 30 20 CHED CCOc1ccccc1C=NOCc1cccc(Cl)n1 760419967 INXRAZRJKQKWBK-UHFFFAOYSA-N 290.750 3.684 30 20 CHED Cn1cnc2cc(/C=C3/CCCC(C)(C)C3=O)ccc21 761207198 ZFLWSDNIBDMYGH-LCYFTJDESA-N 268.360 3.736 30 20 CHED N#Cc1cccc(OCc2nc(CC3CCCCC3)no2)c1 761821370 WTQFHLAHMRWJBT-UHFFFAOYSA-N 297.358 3.643 30 20 CHED COc1cc(F)ccc1NN=C(C)c1sc(C)nc1C 761884844 LXYMFBHQZHZHIH-UHFFFAOYSA-N 293.367 3.744 30 20 CHED CSc1ccc(C(C)=NNC[C@@H](C)C#N)c(Cl)c1 763370370 OWBSSYYINBRRAU-VIFPVBQESA-N 281.812 3.535 30 20 CHED COc1cc(C#N)ccc1NC(=O)C=C1CCC(C)CC1 766643401 HPYKNSUZBCRLEW-UHFFFAOYSA-N 284.359 3.642 30 20 CHED CC#CCCCC(=O)OCc1ccc(Br)cc1 767667227 YVGOBCBJJPQKJM-UHFFFAOYSA-N 295.176 3.686 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNC(=S)Nc1cccnc1 769566860 JBTLMNOOLXHEQT-VXGBXAGGSA-N 290.436 3.570 30 20 CHED CCc1ccc(CCC(=O)Oc2ccc(C#N)cc2F)cc1 769738458 PCCPGNBENHAGLK-UHFFFAOYSA-N 297.329 3.798 30 20 CHED Fc1ccc(C=NNc2ccccn2)c(C(F)(F)F)c1 771872953 XGHCNWYTHIEWBB-UHFFFAOYSA-N 283.228 3.686 30 20 CHED Clc1cscc1C=NNCc1ccccc1 771884718 LGNFQEXIRROVOB-UHFFFAOYSA-N 250.754 3.525 30 20 CHED CC(=NNc1nccnc1C(C)C)C1CCCCC1 773078802 NQTWJJASHLOSAX-UHFFFAOYSA-N 260.385 3.968 30 20 CHED CCNc1ccc(C#N)cc1NCc1ncc(Cl)s1 774301798 CHKPUTLLCZEHBN-UHFFFAOYSA-N 292.795 3.712 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(F)cc2C#N)ccc1F 775549238 KAFOMKQJCNGGNS-GFCCVEGCSA-N 286.325 3.996 30 20 CHED CCCCC[C@H](C(=O)OCC1(C#N)CC1)C(C)C 775865741 IHEOZBJSCVISLX-ZDUSSCGKSA-N 251.370 3.686 30 20 CHED N#CC1(CSCc2c(F)c(F)c(F)c(F)c2F)CC1 776207102 BIDLBUYJMVUXLC-UHFFFAOYSA-N 293.260 3.919 30 20 CHED Cc1ccc(C(=O)/C=C/c2nc3c(s2)CCCC3)o1 776266958 VHJBYXPRWTYUMH-VQHVLOKHSA-N 273.357 3.819 30 20 CHED N#C[C@H](OC(=O)CCc1ccccc1)C1CCCCC1 776360728 WBLOLCONZVYIMG-INIZCTEOSA-N 271.360 3.635 30 20 CHED C[C@@H](CC(=O)O[C@H](C#N)C1CCCCC1)c1ccncc1 776395188 IQILFYJZVDRGDW-XJKSGUPXSA-N 286.375 3.591 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)Cc1ccccc1CC#N 777408914 NRPSZVDUEZBJCA-CRAIPNDOSA-N 298.430 3.722 30 20 CHED CCCCO[C@@H]1CC(=NOCCC(F)(F)F)C1(C)C 777460128 VHMPBWQHMMWRNB-LLVKDONJSA-N 281.318 3.927 30 20 CHED N#C[C@H](OC(=O)[C@H](F)Cc1ccccc1)C1CCCCC1 778199824 RLFYYTGMARUBJK-CVEARBPZSA-N 289.350 3.583 30 20 CHED C=CCC[C@H](C(=O)O[C@H](C)c1cnccn1)c1ccccc1 778622074 NRWUHFCYLMANBK-ZBFHGGJFSA-N 296.370 3.831 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 779840284 YHYONVDOGBUKRZ-ULQDDVLXSA-N 275.436 3.997 30 20 CHED C#CCCCCCC(=O)Nc1nc2ccccc2n1C1CC1 780006950 MSEZBRXPWNGUHB-UHFFFAOYSA-N 295.386 3.893 30 20 CHED C#CCCCCCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 780024054 OTBOXQFSVRQJJM-OAHLLOKOSA-N 288.778 3.605 30 20 CHED Fc1cc(NN=Cc2ccccc2C(F)(F)F)ccn1 781128142 SBYYUFOEESKNRM-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCC(C)(C)C1 781850746 SZNHTRMUTIAMPQ-QWHCGFSZSA-N 286.375 3.742 30 20 CHED CO[C@@H](C(C)=NOCc1ccccc1)c1ccccc1 782185955 GSDNDSCOWKBSIO-KRWDZBQOSA-N 269.344 3.967 30 20 CHED N#Cc1ccc(OC(=O)C2(Cc3ccc(F)cc3)CC2)cc1 782198120 VUCMTMURTDMPND-UHFFFAOYSA-N 295.313 3.626 30 20 CHED CCc1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)s1 782201365 TUMQAZAOZYGFFO-HWKANZROSA-N 292.381 3.966 30 20 CHED N#Cc1ccc(C(=O)OCc2cc(F)ccc2Cl)s1 782281779 WPQXGTXQCIZSCL-UHFFFAOYSA-N 295.722 3.769 30 20 CHED N#Cc1ccc(CNN=C2CCC[C@@H](C(F)(F)F)C2)cc1 783522722 ZGZLDVYCQGGXFX-CYBMUJFWSA-N 295.308 3.756 30 20 CHED CC[C@@H](C#N)OC(=O)C1(Cc2ccccc2Cl)CC1 784281333 YCELPBIMVLIAAY-LBPRGKRZSA-N 277.751 3.508 30 20 CHED N#Cc1c(Cl)nsc1NCc1cccc2cc[nH]c12 786088775 GTVDDRYMZYQKAH-UHFFFAOYSA-N 288.763 3.762 30 20 CHED CCN(Cc1ccc(N(C)C)cc1)C[C@@H](C)CCC#N 787770810 XFSDEKSLTOEXDE-HNNXBMFYSA-N 273.424 3.514 30 20 CHED CC(C(=O)N[C@H]1CCc2cc(C#N)ccc21)=C1CCCC1 787846430 XOVZCCCERSIPKW-KRWDZBQOSA-N 280.371 3.552 30 20 CHED CCCCCCCC(=O)NCc1nccn1-c1ccccc1 788240829 RVWFKJXBJAMFNE-UHFFFAOYSA-N 299.418 3.849 30 20 CHED CCCCOc1ccc(/C=C/C(=O)c2cc(C)nn2C)cc1 789160106 SFUOLCGYHFEPAX-DHZHZOJOSA-N 298.386 3.804 30 20 CHED CC[C@H](C)NN=Cc1ccc(Oc2ccccc2)o1 790181461 DUBGSNFTMMGEIN-LBPRGKRZSA-N 258.321 3.794 30 20 CHED C#C[C@@H](CCC)NC(=O)C(C)(C)c1ccccc1Cl 791743515 RGALMFWZDLBASV-LBPRGKRZSA-N 277.795 3.536 30 20 CHED C[C@@H](NN=C1CCCNc2ccccc21)C(C)(C)C 793113240 BRBKKLSILJUYTH-GFCCVEGCSA-N 259.397 3.621 30 20 CHED CC(C)C[C@@H]1CCCC(=NNc2ncc(F)cn2)C1 794525054 YHPONMHHHXBBGL-NSHDSACASA-N 264.348 3.620 30 20 CHED CSCCON=Cc1c(C)[nH]c2ccc(Cl)cc12 794573815 LQJNZIRHKHTVQE-UHFFFAOYSA-N 282.796 3.843 30 20 CHED Oc1ccccc1/C=N\Cc1c(F)cccc1N1CCCC1 794682155 TWDQCQFANJYOGY-NDENLUEZSA-N 298.361 3.751 30 20 CHED Cc1cc2cc(C/N=C\c3ccccc3O)ccc2[nH]1 794689239 RHOCUQGHGQKLOY-WQRHYEAKSA-N 264.328 3.801 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1 794718860 FWYUUKRKMXAFOR-YVMONPNESA-N 285.318 3.904 30 20 CHED O=C(O)c1cccc(NN=C2CCC[C@H]2c2ccccn2)c1 794854623 JUNSWURADJGMAR-AWEZNQCLSA-N 295.342 3.515 30 20 CHED N#CC[C@H](CC(=O)OCc1cccc(F)c1)c1ccccc1 795983884 VBEYMUJDLZCNIL-MRXNPFEDSA-N 297.329 3.956 30 20 CHED C#CCCCCNCc1c(Cl)nc2cc(Cl)ccn12 796326374 YVBFPUDUPVMJNS-UHFFFAOYSA-N 296.201 3.534 30 20 CHED C=CCC(C)(C)C(=O)OCc1csc(C2CC2)n1 796462704 DKPPWMFACGUXNA-UHFFFAOYSA-N 265.378 3.666 30 20 CHED CCCCCCCCNC(=O)N1CCCO[C@@H](CC)C1 798444792 XWVIYSABDJMJMQ-HNNXBMFYSA-N 284.444 3.557 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC(CC(C)C)CC1 798495441 APDULSUTNREALV-HNNXBMFYSA-N 266.429 3.809 30 20 CHED CC(C)(CO)CNN=C1CCC[C@H](C(C)(C)C)CC1 799117083 PASLZIRHSIGGSD-ZDUSSCGKSA-N 268.445 3.577 30 20 CHED Fc1ccccc1C=NOCc1cnc2ccccc2c1 799175302 UYHZWXQRXMMIFM-UHFFFAOYSA-N 280.302 3.925 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cccc2cnccc12 799453167 WKIWCPDHCXUQIR-HJWRWDBZSA-N 299.333 3.758 30 20 CHED CC(=NNc1cccc(C)c1)c1coc(C(C)C)n1 799464685 IQCKHYXNOFSQMW-UHFFFAOYSA-N 257.337 3.943 30 20 CHED CC(COC(C)C)=NOc1ccccc1C(F)(F)F 799884865 LRNYWJONZVYVJM-UHFFFAOYSA-N 275.270 3.885 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)c(C)o2)cc1C#N 799897390 OXIONAAMSWNSIF-XQRVVYSFSA-N 281.311 3.673 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CCCC(F)(F)C2)ccc1F 800280427 SFLWUMSSXGVQLS-LLVKDONJSA-N 297.276 3.566 30 20 CHED Cc1cc(Cl)ccc1CSCCO[C@@H](C)C#N 802753039 VZLWCFHCLKZWRZ-NSHDSACASA-N 269.797 3.810 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc(C2CCC2)cc1 802764871 AHIGSNSPMXKEFZ-INIZCTEOSA-N 257.333 3.799 30 20 CHED C=C(Cl)COC(=O)C(C)(C)Oc1ccc(OCC)cc1 804644216 YQIXWMTZFHIJCH-UHFFFAOYSA-N 298.766 3.538 30 20 CHED O=C1/C(=C/c2cccnc2Cl)Cc2nc(Cl)ccc21 806579341 DHOMGYLKVPRMPN-RMKNXTFCSA-N 291.137 3.606 30 20 CHED C#C[C@H](/N=C\c1cc(OC)ccc1O)c1ccc(Cl)cc1 811625731 UQSJFNNKOOJYJV-YLRSXTQRSA-N 299.757 3.848 30 20 CHED COc1ccc(C(=O)/C=C/C=C\c2ccccc2)cc1O 811697092 CGZJSFUUUCIBDO-VTBWALSUSA-N 280.323 3.853 30 20 CHED C#CCON=C(CCc1ccc(Cl)cc1)C(C)C 812234124 QSQAELWWXGHRSN-UHFFFAOYSA-N 263.768 3.934 30 20 CHED COc1cccc(O)c1C=Nc1cc(C)ccc1F 812391587 KJOVYIRMIUNJBH-UHFFFAOYSA-N 259.280 3.599 30 20 CHED Cc1cc(C)c(C=NNc2ccccc2C(=O)O)cc1C 812445415 PYAZCYOEVBLDSP-UHFFFAOYSA-N 282.343 3.756 30 20 CHED C#CCOc1cccc(Oc2nc(C)c(C#N)cc2Cl)c1 812458982 REIOPLCRXRVVFH-UHFFFAOYSA-N 298.729 3.719 30 20 CHED CC(=NNc1ccccc1F)c1ccc(C)cc1O 812460447 SUGIFJXSUKEDED-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C=CCC[C@H](CCC)Nc1cccc(OC(=O)NC)c1 814174566 GIRJOIMPYHABCP-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H](c2ccccc2)C1)C(C)(C)C 814336537 WHKUFCRRNSXRMP-SJORKVTESA-N 298.430 3.624 30 20 CHED CCCC(=NNc1ccc(F)cc1F)c1cccnc1 814686395 CMBKTAXSNSVOQD-UHFFFAOYSA-N 275.302 3.976 30 20 CHED CC(CCCO)=NNc1cc(C)c2ccc(C)c(C)c2n1 814770012 ZZLNJIWMVGTGCM-UHFFFAOYSA-N 285.391 3.720 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CC[C@H](c2ccccc2)C1 814870635 LXGZQYCTDOVODU-ZDUSSCGKSA-N 296.330 3.725 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C(F)(F)CC=C 815572832 OXJQDNRDEZXONX-UHFFFAOYSA-N 271.351 3.793 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 815793630 HNFIVJSTVWKLTB-UHFFFAOYSA-N 281.302 3.550 30 20 CHED C#Cc1ccc(C(=O)N(C(C)C)[C@@H](C)c2ccsc2)cn1 817485047 HJBCTTZZHXYSLF-ZDUSSCGKSA-N 298.411 3.736 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc([C@@H](C)C(=O)OC)c1 822647946 PVNBELWTZIICPF-OLZOCXBDSA-N 289.375 3.504 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(OCC#N)cc1 823831182 SCNYCLSDNBGMFE-HNNXBMFYSA-N 272.392 3.813 30 20 CHED CN(CCC#N)c1ccc(CNCC2=CCCCC2)cc1 824537638 GHUQZRPNGQFYID-UHFFFAOYSA-N 283.419 3.626 30 20 CHED CC/C(C)=C/C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 826689788 PMFNEQXJGYCESS-SIMUAJLNSA-N 282.387 3.641 30 20 CHED C=CCCc1ccccc1NC(=O)CCC(C)(C)[N+](=O)[O-] 831299585 QZPYOGMVCNCXHL-UHFFFAOYSA-N 290.363 3.579 30 20 CHED CC(=NNc1cc(C)nc(C)n1)[C@H]1CCCC[C@H]1C 834940441 MBLRRUHXYAEDLQ-YGRLFVJLSA-N 260.385 3.708 30 20 CHED C/C(C=NN[C@H](C)C(F)(F)F)=C/c1ccccc1 834997360 XTARCFREJHFKPK-PCNGNSDOSA-N 256.271 3.616 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1sc(COCC)nc1C 835336197 HEWVDVCQVOZNEG-HNNXBMFYSA-N 297.420 3.747 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCCCCCCC1 836460165 SVNXQAUOYPZLJE-UHFFFAOYSA-N 279.428 3.682 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CCSc2ccc(F)cc21 837320071 CRBKOLFJFDTGIA-CYBMUJFWSA-N 291.391 3.528 30 20 CHED C=C(C)[C@H](CC(=O)N(c1ccccc1)C1CC1)OCC 839421289 SFWDLJWXFAWMTB-INIZCTEOSA-N 273.376 3.553 30 20 CHED N#CC1(CCOC(=O)c2ccncc2Cl)CCCCC1 840243006 GDBLIIFCLFWHQK-UHFFFAOYSA-N 292.766 3.756 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@@H]2CCC[C@H]2C2CC2)cc1 840954311 GVKAXGIVPDASNL-LJHODMEESA-N 298.430 3.893 30 20 CHED N#Cc1sc(NC(=O)C2CCCCCCC2)nc1Cl 841225083 HTWWINJNTTUJRE-UHFFFAOYSA-N 297.811 3.967 30 20 CHED CCCC(=NN[C@H]1CCOC(C)(C)C1)[C@@H]1CC1(C)C 841632837 HFQQEUPEDWMROE-STQMWFEESA-N 266.429 3.736 30 20 CHED C#C[C@@H](NC(=O)[C@H]1CCC(C)=C(C)C1)c1ccccc1 843639211 GUEOGLZURGTUHA-DLBZAZTESA-N 267.372 3.614 30 20 CHED C[C@H]1CCCCCC1=NNc1nc(O)c2ccccc2n1 844587954 VSJLYDSZQPFBGT-NSHDSACASA-N 284.363 3.704 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 845642416 QVVKJQBMZPLOTG-UONOGXRCSA-N 290.407 3.548 30 20 CHED C=C(C)CONC(=O)c1cc(Cl)cc(C(F)(F)F)c1 846535182 SENHJJXXBPNCPU-UHFFFAOYSA-N 293.672 3.596 30 20 CHED C=C[C@@H](C)ONC(=O)[C@H](C)c1c(Cl)cccc1Cl 846548089 CYWLOCJSEFWZMV-RKDXNWHRSA-N 288.174 3.719 30 20 CHED C[C@@H](NN=Cc1cccc(F)c1OC(F)F)C(C)(C)C 853350513 SUKQGVFREYEUTM-SECBINFHSA-N 288.313 3.785 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)nc2)C1 855438841 PRAHTSHXKMIRMZ-KGXGESDWSA-N 290.794 3.563 30 20 CHED CCCOc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1C 858568900 ROVDQBBSMGNVLU-ZFWWWQNUSA-N 258.365 3.888 30 20 CHED CC(C)CCOC(=O)Oc1cc(Cl)ccc1C#N 859065349 NUUYNGMGNNAZKO-UHFFFAOYSA-N 267.712 3.773 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCO[C@@H](CCC)C1 862357803 HOAPXUAGFZQVRQ-CABCVRRESA-N 269.429 3.668 30 20 CHED C=CCCCC(=O)NCCc1c(C)[nH]c2ccc(F)cc12 862979703 HPNNHWOUZLLJJI-UHFFFAOYSA-N 288.366 3.630 30 20 CHED CC(CCOCc1ccccc1)=NN[C@@H](C)c1ccncc1 872381888 CNQUSOLOLUUCNQ-INIZCTEOSA-N 297.402 3.715 30 20 CHED CCOC(=O)N(C)c1ccc(NC[C@H](C)CCC#N)cc1 876825605 ZPVLZJXUORVYTN-CYBMUJFWSA-N 289.379 3.631 30 20 CHED CSC(C)(C)CCN[C@@H]1CCc2cc(C#N)ccc21 877483491 WDZOVYQBSVTKSG-OAHLLOKOSA-N 274.433 3.667 30 20 CHED CC(C)(C)SCCCN1CCC[C@@](C)(C#N)C1 878405800 LAWIYRGLXMYKAQ-AWEZNQCLSA-N 254.443 3.534 30 20 CHED C=C1CCC(C(=O)NC2(c3ccccc3)CC2)CC1 888712055 AUPOJHXSGRYDKA-UHFFFAOYSA-N 255.361 3.538 30 20 CHED N#Cc1ccc(NC(=O)N(CC2CC2)C2CCCCC2)nc1 889223906 PFUZTHZDUJPZDQ-UHFFFAOYSA-N 298.390 3.530 30 20 CHED C=C1CC(c2noc([C@@H]3CCC(=O)[C@H](C)C3(C)C)n2)C1 896877312 HZPJGXXAKHZYBG-JQWIXIFHSA-N 274.364 3.612 30 20 CHED C[C@@H]1/C(=C\c2cn(C)nc2C2CC2)C(=O)c2ccccc21 899373934 KVXFHIXZOFPJKT-UJFYRASASA-N 278.355 3.681 30 20 CHED Cc1cccc(-c2cn(CCCCC3(C#N)CCC3)nn2)n1 900616864 LGRHAEQVEMSTPL-UHFFFAOYSA-N 295.390 3.513 30 20 CHED CO[C@](C)(C=NNc1ccc(F)cc1Cl)C1CC1 901317246 JAWWDLCGEXOTKW-CYBMUJFWSA-N 270.735 3.692 30 20 CHED CC(=NNc1ccc(Cl)cc1F)[C@H]1C[C@H]2CC[C@H]1O2 901317693 MTCPBSGERZGHGS-JTNHKYCSSA-N 282.746 3.834 30 20 CHED C=CCC[C@@H](CC)NC[C@](CC)(C(=O)O)c1ccccc1 901896228 CRCWVGDWHZNJNQ-AEFFLSMTSA-N 289.419 3.753 30 20 CHED Cc1cccc2c1CCCN2C(=O)c1ccsc1C#N 903403462 CPIKDQBEYHPYJN-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C#CCCCCCCNC1(CCC(=O)O)CCCCC1 905770699 PNYWCLVYGFAPMO-UHFFFAOYSA-N 279.424 3.727 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(C)cc(C)n1 909069778 LFGMYUALMYHETK-UHFFFAOYSA-N 259.349 3.510 30 20 CHED CCCSCC(=O)OCCCCC1(C#N)CCC1 909245615 ILOACSCXHABPQD-UHFFFAOYSA-N 269.410 3.537 30 20 CHED CC(C)Oc1ccc(C/N=C\c2cccc(O)c2O)cc1 914557079 AELBXFYXYZFPMB-WQRHYEAKSA-N 285.343 3.504 30 20 CHED N#Cc1ccc(NN=Cc2ccc(Cl)s2)cc1 915961492 GHOUAYXUSLWATJ-UHFFFAOYSA-N 261.737 3.719 30 20 CHED Cn1c(NN=C2CCc3ccccc3C2)nc2ccccc21 915967437 IKTXMUMRSHLLGP-UHFFFAOYSA-N 290.370 3.530 30 20 CHED C[C@H](NN=Cc1cccc2c1OCCCO2)c1ccccc1 920382367 GJLQBAGVEXDSCQ-AWEZNQCLSA-N 296.370 3.533 30 20 CHED CCOc1ccc(O)c(/C=N\CCc2ccccc2F)c1 920943934 MCRPOKAMZVBYFY-UNOMPAQXSA-N 287.334 3.592 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCc1ccco1 920944362 CCWAVHDYGRVUMC-PDGQHHTCSA-N 265.312 3.800 30 20 CHED C=C[C@H](C)N[C@H](C)c1ncc(C(F)(F)F)cc1Cl 925265502 ZTFGWZWHDMQNHM-JGVFFNPUSA-N 278.705 3.979 30 20 CHED N#CC[C@@H](O)CN1CCCCC[C@@H]1c1ccc(Cl)cc1 929666625 CLWVZYASDQEGLX-HZPDHXFCSA-N 292.810 3.532 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(F)cccc1-n1cccn1 932203168 ICFFJDZMODZCGM-GFCCVEGCSA-N 287.338 3.552 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 1153701881 IBPKBNYTUJFDJO-AWEZNQCLSA-N 297.402 3.887 30 20 CHED Cc1cc(N2CCC[C@H](CC#N)C2)nc2ccccc12 1166743422 RTLYYJONKPQUNA-CQSZACIVSA-N 265.360 3.673 30 20 CHED C[C@H](NC(=O)NCC(C)(C)CCC#N)C1CCCCCC1 1225989124 HGEYILYLLWDOPE-AWEZNQCLSA-N 293.455 3.974 30 20 CHED CC1(C)C[C@@H](Nc2cccc(CC#N)n2)c2ccccc21 1255103770 PAMLKSGETOJEOU-MRXNPFEDSA-N 277.371 3.982 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1264187817 JZQGZXCAMWEOHM-MEBBXXQBSA-N 276.767 3.976 30 20 CHED C=C(Cl)Cn1c(N(CC)C(C)C)nnc1C(C)(C)C 1286635245 NHSPEKIHPLEXSB-UHFFFAOYSA-N 284.835 3.563 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(C)c(Cl)c1Cl 1319544239 MSKHEVZZJQMGOH-UHFFFAOYSA-N 285.174 3.789 30 20 CHED C=CCc1ccc(OC(=O)C23CCC(CC2)C3)c(OC)c1 1320027827 VXJPMBWFWFMCRR-UHFFFAOYSA-N 286.371 3.909 30 20 CHED CC(C)(C)Oc1ccc(CNc2cccc(CC#N)n2)cc1 1320489527 GVXGTDDYOZQXPZ-UHFFFAOYSA-N 295.386 3.937 30 20 CHED O=C(CC#Cc1ccccc1)NCc1cccc2ccccc12 1323870403 LGJYDEAJWVUPMD-UHFFFAOYSA-N 299.373 3.898 30 20 CHED CCc1ccc(C(=O)OCC2(C#N)CCC2)cc1CC 1325435858 GGJCKYOEYAOALZ-UHFFFAOYSA-N 271.360 3.662 30 20 CHED C=CCCN1CCC(Nc2ccccc2Cl)CC1 1326693204 PKHDENZUEUFXFK-UHFFFAOYSA-N 264.800 3.792 30 20 CHED C=CCC1(c2nnc(-c3cccc(C#N)c3)o2)CCCC1 1327353928 NDZFMRHWMQXMLP-UHFFFAOYSA-N 279.343 3.996 30 20 CHED C[C@H]1CCCC[C@H]1Cc1nnc(-c2cccc(C#N)c2)o1 1327809031 XJMPQJTXYLELDV-JSGCOSHPSA-N 281.359 3.977 30 20 CHED Cc1nc(Cl)ccc1-c1nnc(-c2ccc(C#N)cc2)o1 1335354182 QMCFZVJWHIZWHG-UHFFFAOYSA-N 296.717 3.632 30 20 CHED C#Cc1ccc(N2CCC(OCC3CCCCC3)CC2)nc1 1337048858 IVCBVAZQTHBACQ-UHFFFAOYSA-N 298.430 3.629 30 20 CHED CCCc1cc(C(=O)N(CC)[C@H](C#N)CC)sc1C 1338328819 LPADZYNXWBSUFW-ZDUSSCGKSA-N 278.421 3.773 30 20 CHED CC[C@H](CC(F)(F)F)Nc1cc(C#N)cc(Cl)n1 1339661233 STVHSCPSPDHYAO-MRVPVSSYSA-N 277.677 3.750 30 20 CHED N#C[C@H](C(=O)c1cc2cccc(F)c2o1)c1cccc(F)n1 1347171022 LCXWUSGIXCHNBA-JTQLQIEISA-N 298.248 3.596 30 20 CHED C=C(CC)C(=O)NC(C)(C)c1ccc(Cl)cc1 1348439474 GOSMDMGAZUAHFG-UHFFFAOYSA-N 251.757 3.658 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)CC#N 1350038394 SQWOYRXNLOCPST-NSHDSACASA-N 294.782 3.503 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1csc(C#N)c1 1353566163 NFVYIXWTXJKDHV-VXGBXAGGSA-N 276.405 3.566 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@H](C)c1ccccc1F 1354365436 UWYLRWQVJHHTSW-CYBMUJFWSA-N 296.345 3.839 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(C(F)F)cc2)cs1 1463149715 PPRKRKKUXNUASA-UHFFFAOYSA-N 278.283 3.810 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)c1 1476739544 KPEZRSHVYDOHQE-BPUTZDHNSA-N 297.402 3.815 30 20 CHED C=C(CNC(=O)N[C@H](C)CCC(C)C)c1ccccc1 1477307398 RHSITCQNRYXVPY-OAHLLOKOSA-N 274.408 3.824 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccsc1C(F)F 1515364514 ZKVGXFYKIKIXGQ-QMMMGPOBSA-N 258.289 3.644 30 20 CHED C=C(Cn1c(CC)nnc1N(C)CC(C)C)c1ccccc1 1539767414 TZIVLYVGOVNXKO-UHFFFAOYSA-N 298.434 3.646 30 20 CHED CCCCCCCN(C)c1cccc(-c2cnn[nH]2)c1 1576394778 LLHQZFLKQYYMAW-UHFFFAOYSA-N 272.396 3.878 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccc(F)c3occc23)c1 1584675037 WIDNRMZROJNTFJ-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CC[C@H](C)N(CC)C(=O)c1cccc(SCC#N)c1 1587197063 LJPAGSZLOIARMM-LBPRGKRZSA-N 276.405 3.563 30 20 CHED CC(C)[C@@H]1/C(=C\c2ccc(C(=O)O)[nH]2)C(=O)c2ccccc21 1591068288 YGCZFWVDFLRWDQ-IDJPSDCMSA-N 295.338 3.732 30 20 CHED N#Cc1ccc([C@@H](Nc2ccc(C3CC3)cc2)C(=O)O)cc1 1608202509 QPMFHMBXCYFJQZ-QGZVFWFLSA-N 292.338 3.673 30 20 CHED CCCC[C@H](C)N(C)c1ncc(Cl)c(C)c1C#N 1639994430 WGTVQEHCPJSAKQ-JTQLQIEISA-N 265.788 3.930 30 20 CHED Cc1ccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)cc1C#N 1640086711 YMVIVLKEYONXAR-QGZVFWFLSA-N 294.329 3.593 30 20 CHED CCC(CC)(CN=c1cc[nH]c(C#N)c1)c1ccc(F)cc1 1642974330 SOLAHGRZPYXWJS-UHFFFAOYSA-N 297.377 3.684 30 20 CHED Cc1cc(C#N)nc(NC[C@@H]2CCC[C@H]2c2ccccc2)n1 1651096016 JYLQAYHRQZCMHT-RDJZCZTQSA-N 292.386 3.653 30 20 CHED CS[C@@H]1CCC[C@H](Nc2cc(C)cc(C#N)c2)C1 1651210850 RWMCNTITWVDPMD-DZGCQCFKSA-N 260.406 3.953 30 20 CHED Cc1cc(C)cc(CNc2c(C#N)nnc3ccccc23)c1 1655698075 XBKWYWHPBMOXOE-UHFFFAOYSA-N 288.354 3.730 30 20 CHED CCOc1ccc(CNc2cc(C#N)ccc2OC)c(C)c1 1662605867 JRYOKAYMWOAWOH-UHFFFAOYSA-N 296.370 3.886 30 20 CHED CC1(C)C(NC(=O)Nc2ccc(C#N)cc2Cl)C1(C)C 1667926802 YYZZPRUQOFVZPZ-UHFFFAOYSA-N 291.782 3.768 30 20 CHED N#CC1(C(=O)NCc2ccc(Cl)cc2Cl)CCCC1 7334452 CFCBESNETJEVKX-UHFFFAOYSA-N 297.185 3.694 30 20 CHED COc1ccc(N[C@@H](C)c2ccc(C#N)cc2)c(OC)c1 19903391 OIDSJHZHLHCTMS-LBPRGKRZSA-N 282.343 3.749 30 20 CHED Cc1ccc(OCCCC(=O)Nc2ccccc2C#N)cc1 20261647 UBXHPDRZBAMVQZ-UHFFFAOYSA-N 294.354 3.664 30 20 CHED N#Cc1ccccc1CN[C@@H](c1ccccc1)c1ccccn1 26230601 FSVRRLRVAWLSGZ-FQEVSTJZSA-N 299.377 3.832 30 20 CHED CCCCC[C@H](C)NC(=O)/C=C/c1ccccc1C#N 29432424 AHWXIYQPYYEKKB-GETOMWPZSA-N 270.376 3.656 30 20 CHED N#Cc1cccnc1NCCOc1cccc2ccccc12 41465732 MYTICDYLCUCFCX-UHFFFAOYSA-N 289.338 3.597 30 20 CHED CN(CCCCC#N)Cc1csc(Br)c1 42362265 NOXFTNOEEDKBMX-UHFFFAOYSA-N 287.226 3.636 30 20 CHED CCN(Cc1cc(Br)ccc1F)C[C@H](C)C#N 42449727 UAEVUNYEZFSVAD-SNVBAGLBSA-N 299.187 3.570 30 20 CHED C=C(C)CSc1nnc(-c2ccco2)n1CC(C)C 44175964 SAMFEWMQMDYORX-UHFFFAOYSA-N 277.393 3.862 30 20 CHED Cc1ccc(CNc2snc(Cl)c2C#N)cc1 47405226 ODWLQYIJMWVLAT-UHFFFAOYSA-N 263.753 3.589 30 20 CHED N#Cc1c(Cl)nsc1NCc1cccc(Cl)c1 49065601 HJDQWLINIZXFOQ-UHFFFAOYSA-N 284.171 3.934 30 20 CHED CCOc1cccc([C@@H](C)Nc2ncccc2C#N)c1 49469416 OMTPNAANBYHTPD-GFCCVEGCSA-N 267.332 3.525 30 20 CHED N#CCc1ccc(C(=O)NC2CCCCCCC2)cc1 58241148 AWCAYOBQAUUWHH-UHFFFAOYSA-N 270.376 3.595 30 20 CHED CCN(CCOc1cccc(C#N)c1)Cc1ccccc1C 59384425 MXZACUWUPVOWLX-UHFFFAOYSA-N 294.398 3.768 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)CC(C)C)c1 67318611 BMCLLBXMYQCRJA-UHFFFAOYSA-N 276.380 3.761 30 20 CHED CCN(CCCSCC#N)[C@H](C)c1ccc(F)cc1 74982138 SCYWZCKRSWQUFP-CYBMUJFWSA-N 280.412 3.855 30 20 CHED C=CCN(C(=O)[C@@H](C)OCc1ccccc1)c1ccccc1 75556242 QTAXAAPUKPGWRQ-MRXNPFEDSA-N 295.382 3.811 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc(Oc2nccs2)c1 76620247 DPALZTFKNGLCBR-LLVKDONJSA-N 288.372 3.630 30 20 CHED Cc1cc(F)cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 76842861 ZYNDARCTDLNLTL-CYBMUJFWSA-N 294.285 3.765 30 20 CHED C=CCCNc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C 77245594 GMPJLAPCSNGAIU-AWEZNQCLSA-N 286.419 3.855 30 20 CHED COc1ccccc1[C@@H]1CCN(c2cccc(F)c2C#N)C1 78021463 YNMRZXKANBPDBA-CYBMUJFWSA-N 296.345 3.700 30 20 CHED C[C@@H](SCC(=O)C(C)(C)C)c1ccc(C#N)cc1 83097609 CJYFRKVYIOYGTC-LLVKDONJSA-N 261.390 3.968 30 20 CHED C[C@H](c1cccs1)N(C)c1snc(Cl)c1C#N 92612313 QAHBGLSEROPXET-SSDOTTSWSA-N 283.809 3.927 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1 93063520 LHYNBWBFHAUYTR-QGZVFWFLSA-N 294.329 3.505 30 20 CHED N#CCC[C@H](NCc1nc2c(s1)CCC2)c1ccccc1 93109616 ANXNVXADCXSJDF-AWEZNQCLSA-N 297.427 3.766 30 20 CHED N#CCN(C[C@H]1C[C@@H]1c1ccccc1)C1CCCC1 93563264 INDAJIZOOJFJOA-NVXWUHKLSA-N 254.377 3.558 30 20 CHED Cc1ccccc1CCN[C@@H](C)c1cccc(C#N)c1 94182688 SSTDQUXCIFXMNH-HNNXBMFYSA-N 264.372 3.760 30 20 CHED COc1cc(/C=C\C(=O)c2cccnc2)ccc1SC 96313939 GQNWCRNVDHSTPB-ALCCZGGFSA-N 285.368 3.708 30 20 CHED O=C(/C=C\c1cccs1)c1ccc(N2CCCC2=O)cc1 96893575 NWCUBNMXPGLVKB-KTKRTIGZSA-N 297.379 3.771 30 20 CHED C=C(Br)CNCc1ccc2nc(C)ccc2c1 97861963 VWNLEUIMJKBOED-UHFFFAOYSA-N 291.192 3.541 30 20 CHED C=CCCC(=O)Nc1nc(-c2c(F)cccc2F)cs1 102229167 GBTPNKUJRUAQEZ-UHFFFAOYSA-N 294.326 3.993 30 20 CHED C=CCCC(=O)Nc1nc(-c2cc(C)oc2C)cs1 102237141 GFFPCMXFYAYOQP-UHFFFAOYSA-N 276.361 3.925 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1ccccc1Cl 102335601 URIVHLCFFUHUNE-AWEZNQCLSA-N 263.768 3.970 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C1CCCC1 110364224 DTIIUEZFUARGDN-UHFFFAOYSA-N 256.393 3.959 30 20 CHED CC(C)N(CCOc1ccc(C#N)cc1)C1CCCC1 110794833 KOYHUXPQIPTJEL-UHFFFAOYSA-N 272.392 3.590 30 20 CHED C=CC[C@@H](C)NC(=O)N(CC)Cc1cccc(Cl)c1 116972694 SGYYNRFSUMROOC-GFCCVEGCSA-N 280.799 3.836 30 20 CHED C=CCCCOC(=O)Cc1csc(-c2cccs2)n1 117993063 RQRGVHHGUPMTSQ-UHFFFAOYSA-N 293.413 3.924 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 119366618 HSVHYGDPDIRDBG-UWVGGRQHSA-N 259.271 3.810 30 20 CHED CCN(CCCCC#N)[C@@H](C)c1cccc(OC)c1 120083148 UKJWKXBQSPCZGM-AWEZNQCLSA-N 260.381 3.772 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@H](C)CC 120251035 JRJQVONDHHOWPS-HUUCEWRRSA-N 299.418 3.690 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccc(CC(F)(F)F)cc1 120549780 OPRLYWBXAJFBNA-JTQLQIEISA-N 299.296 3.557 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H](C)c1cccs1 120650738 JOMGBJLERHAAOK-LBPRGKRZSA-N 286.400 3.821 30 20 CHED Cc1nn(C)cc1/C=C1\COc2c(cccc2C(C)C)C1=O 121371490 ULKGKQCPHOQYML-RIYZIHGNSA-N 296.370 3.511 30 20 CHED C=C[C@H](CC(=O)OCc1scnc1C)c1ccccc1 123209932 HPJRJXBCXNJQKO-CYBMUJFWSA-N 287.384 3.855 30 20 CHED CCn1ncc2ccc(NCc3cccc(C#N)c3)cc21 123387382 YMFNJPRBGTWUMQ-UHFFFAOYSA-N 276.343 3.540 30 20 CHED CCN(CC)C(=S)SCc1cc(C#N)ccc1F 124182474 OKLCVJNGTFRXOY-UHFFFAOYSA-N 282.409 3.557 30 20 CHED C=C(Br)CN[C@@H](CC)c1ccc(F)cc1 125131821 KJIRSDNHYNLUKH-LBPRGKRZSA-N 272.161 3.775 30 20 CHED C=C[C@H](CC(=O)Oc1ccccc1OC)c1ccccc1 125275729 GYHMDLSPHMHIAH-CQSZACIVSA-N 282.339 3.961 30 20 CHED N#Cc1ccccc1CN1CCc2c([nH]c3ccccc23)C1 126751954 PYLGGVDCDQFMHF-UHFFFAOYSA-N 287.366 3.598 30 20 CHED CCCCC[C@@H](C(=O)N1CCC(C#N)CC1)C(C)C 130214366 HVURECOQJKRWNC-OAHLLOKOSA-N 264.413 3.601 30 20 CHED Cc1nc(CC(C)C)c(C(=O)Nc2cccc(C#N)c2)s1 133562993 OSIJTWDKRKIXNU-UHFFFAOYSA-N 299.399 3.774 30 20 CHED CCOc1ccc(NCc2ccc(C#N)s2)c(C)c1 135683076 XUHMTAYODXTTHG-UHFFFAOYSA-N 272.373 3.939 30 20 CHED C=CCCSCC(=O)N(C)[C@H]1CCCc2ccccc21 151967074 NQTLMSRZCUCQJL-INIZCTEOSA-N 289.444 3.832 30 20 CHED CCN(C(=O)c1ccc(C(C)C)nc1)c1ccc(C#N)cc1 152320114 OXSUAYVAWKYZNC-UHFFFAOYSA-N 293.370 3.743 30 20 CHED CC1(C)C[C@@H](Nc2ncccc2C#N)c2ccccc21 154867674 UWPZERHYQQOTKB-OAHLLOKOSA-N 263.344 3.788 30 20 CHED N#CCOc1cc(F)ccc1N[C@@H](C#N)C1CCCCC1 155444225 JWHCAZZJNAHICR-HNNXBMFYSA-N 287.338 3.612 30 20 CHED CCCN(CC#N)C(=O)c1ccc(CCC(F)(F)F)cc1 160235814 HLCNFSWNOUXWPX-UHFFFAOYSA-N 298.308 3.557 30 20 CHED C=CCN(C)C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 161403587 IBNDZPAONUSRNN-UHFFFAOYSA-N 294.398 3.987 30 20 CHED N#Cc1ccc(SCc2ccncc2)c(Cl)c1 163319103 HJFCWKTVHYEGAB-UHFFFAOYSA-N 260.749 3.899 30 20 CHED N#CCC1(COC(=O)c2cc3ccccc3s2)CC1 174731770 PMTNPAGOXYZOGF-UHFFFAOYSA-N 271.341 3.752 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](C)c1ccc(OC)cc1 175429373 MLXBUTCAKQZPDL-AWEZNQCLSA-N 275.392 3.613 30 20 CHED Cc1nc(C(C)(C)NCc2cc(C#N)cs2)sc1C 177704189 ITILJGHKKDMHFD-UHFFFAOYSA-N 291.445 3.718 30 20 CHED CCn1nccc1/C=C1\C[C@@H](C)c2ccccc2C1=O 178879929 SNRQDGNPBILALN-RVROTUBLSA-N 266.344 3.677 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(Cl)nc1 179057185 UBMJBYZNQACPJC-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C#CCCCCC(=O)Nc1ccc2[nH]c(C)cc2c1 179734423 ZYDYRBDHERFVPC-UHFFFAOYSA-N 254.333 3.608 30 20 CHED COc1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c2ccccc12 179880176 LHKCZYNBZPJIJH-OLZOCXBDSA-N 295.338 3.697 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)[C@@H](C)C2 180083161 MOHWBLYWOPNZNZ-IFXJQAMLSA-N 276.383 3.890 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCc2occc21 180459381 CWBYXPAGYCIYHV-TZMCWYRMSA-N 276.380 3.701 30 20 CHED Oc1ccc2ccccc2c1/C=N/CC[C@@H]1CCCCO1 182202862 FORRVOUWMQKNMN-SJPXOZHESA-N 283.371 3.924 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1SC 182658712 LLJNLSQNXXCIFV-GFCCVEGCSA-N 263.406 3.883 30 20 CHED Cc1oc2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2c1C 185385557 YQYRRODFWQVLIY-UHFFFAOYSA-N 279.299 3.502 30 20 CHED C#CCC(C)(C)C(=O)NCCCCCc1ccccc1 185442745 RWIDBEDKFPBKLY-UHFFFAOYSA-N 271.404 3.565 30 20 CHED FC(F)c1ccc(CO/N=C2/CCCOCC2)cc1 185799923 YENFLOHAJBQOTM-LGMDPLHJSA-N 269.291 3.697 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1-n1cccn1 185859790 SQASEUNZOXQMBY-HRCADAONSA-N 294.402 3.605 30 20 CHED C=CCC[C@H](C)NC[C@H](O)c1cccc(C(F)(F)F)c1 186003402 XOXSZJDINJRVEN-FZMZJTMJSA-N 287.325 3.683 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)c2coc(C)c2)cc1 186602290 PEKCDCHKKITSRH-UHFFFAOYSA-N 298.342 3.547 30 20 CHED C=C(C)[C@@H](NC(=O)N[C@H](C)C1CC1)c1ccc(F)c(F)c1 187059803 BBKBUFAXACFZOX-MEBBXXQBSA-N 294.345 3.680 30 20 CHED CC[C@H](CC#N)NC(=O)CCCCCc1ccc(F)cc1 187613262 HMSJIHUDPNBOOF-MRXNPFEDSA-N 290.382 3.737 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1)C[C@@](C)(O)CC 189481471 RCPCPCHNTSFAJI-SFHVURJKSA-N 289.419 3.533 30 20 CHED N#Cc1ccc(CNc2cc(F)ccc2OCC2CC2)o1 191745219 YTIUQGSFKSLGPZ-UHFFFAOYSA-N 286.306 3.691 30 20 CHED C=C[C@](C)(CC)C(=O)N(Cc1cccc(F)c1)C1CC1 191827062 MDGVCSYRXPPZOV-QGZVFWFLSA-N 275.367 3.919 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@H](SC)C2)CCC1 191891509 MMUVDTKAIXPNCT-STQMWFEESA-N 267.438 3.523 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)CCC1 191909238 RNGYCVGVFJQRAW-HUUCEWRRSA-N 293.451 3.690 30 20 CHED C#CCCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 192138069 CRJZREZTYQJQEV-CZUORRHYSA-N 273.351 3.539 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1 206083508 UFRUDDQDGGFTLH-WTKPLQERSA-N 274.266 3.870 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 209915875 YLYPUZBUKHCJRM-FPLPWBNLSA-N 289.237 3.769 30 20 CHED C=CCSCCN[C@@H](CC)c1ccccc1F 226616168 LPJUXZUHFVTGPN-AWEZNQCLSA-N 253.386 3.786 30 20 CHED C[C@H]1SCC[C@H]1Nc1ccc(C#N)cc1Br 235656854 GBZVWBRLJJOQKL-LDYMZIIASA-N 297.221 3.627 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc([S@@](C)=O)cc1 245832961 BZQQQTBGLPDAMH-CKFHNAJUSA-N 279.449 3.819 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2nccs2)C1 246429660 SVQGLPGRKNJIGP-CZUORRHYSA-N 297.427 3.955 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1ccc(O[C@H](C)C#N)cc1 247409944 QBUDNZZUAJMMAS-FSZRXZPDSA-N 286.419 3.892 30 20 CHED C[C@H]1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)CC1 252895766 ZTZGUTVLQMTOND-HOMQSWHASA-N 283.297 3.963 30 20 CHED CCCCc1nc(CON=Cc2ccc(Cl)cc2)no1 255109846 UOQNGACKNVHVAH-UHFFFAOYSA-N 293.754 3.616 30 20 CHED O=C1/C(=C\c2cncs2)CCOc2c(Cl)cccc21 255440454 VDQIFALANAHVRZ-TWGQIWQCSA-N 291.759 3.845 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 255678881 QCAIQMAZZYMWIO-PLNGDYQASA-N 289.237 3.769 30 20 CHED CC[C@@H](CC(=O)N[C@H](C#N)C(C)C)c1ccc(C)cc1 265602926 AHRWPFHMOOYUGW-GOEBONIOSA-N 272.392 3.543 30 20 CHED C[C@H](C#N)CN(C)C[C@H](C)c1cccc(Cl)c1 275755268 TXGKRAJCGXCWCZ-NEPJUHHUSA-N 250.773 3.535 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 276206181 ZKBPNIVLJMINBM-CYBMUJFWSA-N 299.374 3.620 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(F)cccc1SC 281064842 LXDBNYGNVWKVHE-JTQLQIEISA-N 267.369 3.632 30 20 CHED N#CCc1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)cc1 281312680 IDXYCRFBTUCGJT-GFCCVEGCSA-N 289.285 3.705 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1ccccc1SC 282045424 XLLGGPHBLPDWIP-CYBMUJFWSA-N 290.432 3.572 30 20 CHED CC#CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 283094852 GBWUXDZTQMENGO-UHFFFAOYSA-N 273.351 3.510 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 285068002 JVFBLSJMVQLCFO-SUMWQHHRSA-N 288.391 3.658 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(OC2CCC2)c(F)c1 285486184 ABYKLRKSCVQWJW-MRXNPFEDSA-N 290.338 3.635 30 20 CHED CCC(CC)N(CC)C(=O)Nc1cc(C#N)ccc1OC 288700066 CMXKWGYDYSGQKO-UHFFFAOYSA-N 289.379 3.609 30 20 CHED CN(C(=O)C(C1CCC1)C1CCC1)c1ccc(C#N)cc1 288701452 YPXRJEJHKACVDS-UHFFFAOYSA-N 282.387 3.737 30 20 CHED CC(C)(C#N)CCSCc1ccc(C#N)cc1F 289394558 MFBQEAUTGOJNPP-UHFFFAOYSA-N 262.353 3.870 30 20 CHED N#CCCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 290931599 JEMWHSLYMVRIIM-ZDUSSCGKSA-N 299.399 3.654 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCCC[C@@H]1c1ccccc1 290976875 JDXALWXLRFHRBQ-QGZVFWFLSA-N 296.418 3.894 30 20 CHED C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CCC1(F)F 291080633 IBHNPTKTTICXIF-VIFPVBQESA-N 270.710 3.693 30 20 CHED C=CCCN(C)C(=O)NCc1ccc2sccc2c1 291778362 FZRFSEJIOFFGFT-UHFFFAOYSA-N 274.389 3.619 30 20 CHED CCOC1(CN[C@H](C)c2ccc(C#N)cc2)CCCC1 293740105 PDRDEOKWTOCOEH-CQSZACIVSA-N 272.392 3.558 30 20 CHED C[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)c2ccccc21 299508540 FQQRXIGYXYDGTC-AWEZNQCLSA-N 290.366 3.641 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 300423802 VQEUMOSZPZKGNB-CAOSSQGBSA-N 261.409 3.511 30 20 CHED Cc1ccccc1C(C)(C)CNc1ncccc1C#N 301156799 RRKPIRYCIHMOAI-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1sc(C(C)(C)C)nc1C 320460684 LFCGXNZWKQXPME-YPMHNXCESA-N 296.480 3.727 30 20 CHED C[C@H]1C[C@H](NC(O)=Nc2cccc(C3CCC3)c2)CCO1 329796479 GYOGTCKGVNPMCL-BLLLJJGKSA-N 288.391 3.657 30 20 CHED OC1=NCc2ccc(N=C(O)[C@H]3CCC(F)(F)C3)cc21 330116475 VMGJGNDPJMMVAC-QMMMGPOBSA-N 280.274 3.528 30 20 CHED CC1(C)CCCC[C@@H]1/N=C(/O)c1cc(O)cc([N+](=O)[O-])c1 330774678 GVPOIPDZHPTCEH-ZDUSSCGKSA-N 292.335 3.574 30 20 CHED CCc1nc(C)c(/C(O)=N/CC2(OC)CCCCC2)s1 331041598 CRLOUZRLXUYWNJ-UHFFFAOYSA-N 296.436 3.668 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cncs1 334922656 QQWIFZMYHVQMOY-ABAIWWIYSA-N 283.400 3.743 30 20 CHED C=CC(C)(C)C(=O)N1CCCn2c(cc3ccccc32)C1 336297943 BMPXUBSHWODGEB-UHFFFAOYSA-N 282.387 3.586 30 20 CHED C=CC[C@@H](CC)NC(=O)c1csc(-c2ccc(C)o2)n1 337101805 WOBXVMSIGFXPQE-LLVKDONJSA-N 290.388 3.796 30 20 CHED CCCC[C@H](C)C(=O)Nc1ccnn1-c1ccc(C#N)cc1 337518477 WIZZOGOLZAMGEV-ZDUSSCGKSA-N 296.374 3.509 30 20 CHED C[C@@]1(CNc2cccc(C#N)n2)C[C@H]1c1ccccc1 338743785 SDFSODKKIRKCAQ-RDJZCZTQSA-N 263.344 3.559 30 20 CHED C[C@@H](c1ccccc1)[S@](=O)Cc1ccc(CC#N)cc1 342254486 UIXODLUXXMZRSY-VBKZILBWSA-N 283.396 3.763 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCC[C@@H](SC)C1 342886724 XXIFQOFFBFQHIY-HUUCEWRRSA-N 299.480 3.540 30 20 CHED CC1=C(c2ccco2)CN(c2nccc(C#N)c2Cl)CC1 343156263 APBMXLARWORHTK-UHFFFAOYSA-N 299.761 3.883 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C 344262149 PEQRGZDQCPHGHU-ZOBUZTSGSA-N 291.439 3.628 30 20 CHED Cc1ccccc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 345388223 ZLQCRXMQCMNRBR-CQSZACIVSA-N 289.338 3.670 30 20 CHED Cc1c([C@H](C)NC[C@H](C#N)CCC#N)oc2ccccc12 348009075 RHBMCJKXWRNUSV-KBPBESRZSA-N 281.359 3.835 30 20 CHED CCc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1 348150538 DKDWYHFLZOUKEO-UHFFFAOYSA-N 273.380 3.700 30 20 CHED C=CC[C@@H]1N(S(=O)(=O)c2ccsc2)CCCC1(C)C 352079861 QMFSTTJVYNKCEC-ZDUSSCGKSA-N 299.461 3.504 30 20 CHED CCOc1ccc2c(c1)CCN(Cc1ccc(C#N)s1)C2 354128798 AFDPDYKDLMGTMO-UHFFFAOYSA-N 298.411 3.577 30 20 CHED C=CCN(Cc1ccc([S@](C)=O)cc1)c1ccccc1 355039427 MYRWAALOAHHYMB-FQEVSTJZSA-N 285.412 3.617 30 20 CHED C=CCCCSCC(=O)N(C)C1CCC(C)CC1 357032306 XOJNJNRTKOUZJA-UHFFFAOYSA-N 269.454 3.723 30 20 CHED C=CCCOCCN[C@@H]1CCCOc2c(C)cc(C)cc21 358380985 XUWSQJHAUKUZSP-QGZVFWFLSA-N 289.419 3.699 30 20 CHED N#Cc1cnc(Nc2cnn(-c3ccccc3)c2)c(Cl)c1 358877873 SEMFUKGAPWMDNW-UHFFFAOYSA-N 295.733 3.536 30 20 CHED N#CCC[C@@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ccccc1 359889458 YZOCRRNCHUQPTA-UONOGXRCSA-N 292.329 3.583 30 20 CHED C=CCCOCCN[C@@H]1CCCCc2cc(C#N)ccc21 360647529 MXZWHMMPQOGHSW-GOSISDBHSA-N 284.403 3.508 30 20 CHED COCCN(Cc1ccccc1)Cc1ccc(C#N)c(C)c1 362963925 QKNIDFMOKSKYQO-UHFFFAOYSA-N 294.398 3.515 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCC[C@@H]1C1CCCC1 376992213 HMGXUYZGGUALML-OAHLLOKOSA-N 291.439 3.681 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2Cl)C1 383238088 UUCYYBIAGRIFQU-ZYHUDNBSSA-N 276.767 3.976 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1cccc(Cl)c1Cl 384238755 ZZBVCMQZZWXEKP-ZDUSSCGKSA-N 270.159 3.525 30 20 CHED Cc1ccc(CNCc2ccc(C#N)c(F)c2)c(Cl)c1 404103300 GODGYIANQBEFTB-UHFFFAOYSA-N 288.753 3.949 30 20 CHED CCC1(CC)CCN(Cc2ccc(C#N)c(F)c2)C1 404285546 XLILEPXNSOGIPE-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)CCCC 409950292 MKHOOKVGYUPZJP-AWEZNQCLSA-N 263.381 3.663 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)n(C(CC)CC)n1 410120660 HHBWFKXLQLZNPH-CYBMUJFWSA-N 277.412 3.637 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)OC1CCCCCC1 410124463 WOFMSAWJGAYRON-UONOGXRCSA-N 267.413 3.585 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1ccc(C)cc1Cl 410135542 NULVXWWGBYUORN-CYBMUJFWSA-N 265.784 3.662 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)CCCc1ccccc1 410835153 MSHVRYYGYPHXJQ-DOTOQJQBSA-N 286.419 3.796 30 20 CHED CC[C@@H](NCCC1(C#N)CCCCC1)C1CCOCC1 411485122 ZQQLITSPGLXFHI-MRXNPFEDSA-N 278.440 3.645 30 20 CHED N#CCCCCN1CC2(CCOCC2)[C@H]1c1ccccc1 411998413 KXPCIOQAUHMXQA-QGZVFWFLSA-N 284.403 3.534 30 20 CHED CC[C@H](N[C@H]1C[C@@H](OC(C)C)C1)c1ccc(C#N)cc1 414135906 FBPKDOUJASIASX-BBWFWOEESA-N 272.392 3.555 30 20 CHED C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](C)[C@H]1C 416108311 HFWGHUOIPHATKO-DLTWYDFYSA-N 284.403 3.577 30 20 CHED N#CCCC[C@@H](NC(=O)NC[C@@H]1CC12CC2)c1ccccc1 416743726 WESPWPFYDJPUJY-JKSUJKDBSA-N 297.402 3.521 30 20 CHED CCc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)nc(C)n1 419019765 VXRCJLODBLPDAN-QGZVFWFLSA-N 292.386 3.709 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCc1ccccc1 425122452 CTMXFKZPNJUGEN-HNNXBMFYSA-N 292.382 3.710 30 20 CHED Cc1nc(C(C)C)oc1CN(C)Cc1cccc(C#N)c1 428454974 CJQJCEJTNGDRPL-UHFFFAOYSA-N 283.375 3.610 30 20 CHED C=CCOc1cccc(CN2CC[C@@H]3CCC[C@H]32)c1 428461917 QMPKVBMVTNRHSB-DOTOQJQBSA-N 257.377 3.626 30 20 CHED CCC[C@@H](NCC1(CC#N)CC1)c1ccc(OC)cc1 430741785 NELAFIKKOCMZLY-MRXNPFEDSA-N 272.392 3.820 30 20 CHED CCc1ccc([C@H]2CCN(c3nccc(C)c3C#N)C2)cc1 431494609 MYFGENDHGIJXPK-KRWDZBQOSA-N 291.398 3.818 30 20 CHED CC(C)C[C@H](C)CC(=O)N1CCCC(C)(C)[C@H]1C#N 434029850 FCGUSHDGFSADJX-UONOGXRCSA-N 264.413 3.599 30 20 CHED C=C(C)CS(=O)(=O)N[C@H](CC(C)(C)C)c1ccccc1 435428305 RMJXJXYYWARUTQ-OAHLLOKOSA-N 295.448 3.659 30 20 CHED C=CCCCN(Cc1ccsc1)[C@H]1CC12CCNCC2 435696203 UMYGNMYWSSVFJA-INIZCTEOSA-N 290.476 3.658 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCc2sccc21 436279166 AQYKYTZCLNWFAM-INWMFGNUSA-N 277.433 3.696 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](CC)CCCC 437500303 UVCIUNDGOUBDFE-UXLLHSPISA-N 281.440 3.690 30 20 CHED CC(C)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 441434345 JGISQWSRIQFICG-AWEZNQCLSA-N 256.393 3.987 30 20 CHED Cc1ccc(CSCCN[C@H]2CC[C@@H](C#N)C2)cc1 442649604 NDLCVJAWFUVUQF-CVEARBPZSA-N 274.433 3.510 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)c(C)cc1Cl 443950262 YOEOILVHJKJEPM-MRVPVSSYSA-N 273.163 3.998 30 20 CHED Cc1cc(CNc2ccc(F)cc2F)ccc1C#N 443990522 RFCVMUMCEKZTMW-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc2[nH]ccc2cc1C 444968564 PZOVEHFLPDWVPS-UHFFFAOYSA-N 271.364 3.906 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1(SC)CCC1 447345659 PCWSXGPEGJTOCT-UHFFFAOYSA-N 293.407 3.626 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[C@@H]1CCC(C)C 448898688 VVQDAAHPYZYGTO-CJNGLKHVSA-N 287.407 3.530 30 20 CHED N#CC1(CN2CC[C@@](F)(c3cc(F)cc(F)c3)C2)CCC1 450938290 ITEFYJFRBLNYRZ-INIZCTEOSA-N 294.320 3.529 30 20 CHED C=CCC1(C(=O)N2CC[C@@](CO)(CCC)C2)CCCCC1 451832473 XNICYDOQEKXZQS-KRWDZBQOSA-N 293.451 3.524 30 20 CHED C=C(C)CN1CCC(N[C@@H](CCC)C(C)(C)C)CC1 453106252 YKNCGHALKJPWCR-INIZCTEOSA-N 266.473 3.831 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1cc(C)sc1C 454250530 PCKVUTFFXNAILR-NSHDSACASA-N 266.410 3.691 30 20 CHED C=CCC[C@H](NC(=O)N[C@H]1CCC[C@H]1F)c1ccccc1 454693672 MLHLALCHLDZGEK-PMPSAXMXSA-N 290.382 3.884 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(/C=C/C)cc1 455452775 WJHZOTJWVWMGTA-ZZXKWVIFSA-N 269.348 3.653 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 457588531 VCENQNOBTKYWCC-SOUVJXGZSA-N 291.439 3.536 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)ccc1Cl)C1CCC1 458348728 YYHHFTQNWHFPCR-HNNXBMFYSA-N 290.794 3.910 30 20 CHED C=C[C@@H]1CCCCN1c1cc(C)c([N+](=O)[O-])cc1F 461938579 YXGPJPYCKKRXOK-LLVKDONJSA-N 264.300 3.587 30 20 CHED C[C@H]1CN(C(=O)[C@H](C)c2cccc(C#N)c2)CC(C)(C)C1 462547327 SNHCDCCHJXVTQK-ZIAGYGMSSA-N 284.403 3.556 30 20 CHED C=CCN(C(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1 463253767 BWJKTNZXACPDIU-OAHLLOKOSA-N 290.366 3.881 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@](C)(CCC)C1 466406965 VVWNGPKXEXVREO-GDBMZVCRSA-N 266.429 3.953 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(-n2cccn2)cc1 467413746 OPKVRUCJUIENMT-GOEBONIOSA-N 269.392 3.878 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCOc1cccc(Cl)c1 467500807 FIYYTMPIYMHEIF-INIZCTEOSA-N 295.810 3.780 30 20 CHED C=CCCCCNC(=O)Nc1ccc2[nH]c(C)cc2c1 473655157 BKNIPGBWIVOIMO-UHFFFAOYSA-N 271.364 3.954 30 20 CHED C=C(CNC(=O)N[C@H]1CCC[C@H](C)C1)c1ccccc1 481141275 LNYJGVSXKSIMBM-BBRMVZONSA-N 272.392 3.578 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C1CCCCC1)C(F)(F)F 482273230 CVGWHCDYIQNJNK-GFCCVEGCSA-N 292.345 3.715 30 20 CHED CCOc1ccccc1CN(C)Cc1ccc(C#N)c(C)c1 486712975 OUOKGIUJHSLTPV-UHFFFAOYSA-N 294.398 3.897 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 488772391 ZGOBYAINFNIEHM-DOTOQJQBSA-N 294.398 3.692 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 488839696 GENFNNQECDLAPV-KFWWJZLASA-N 291.341 3.602 30 20 CHED C=CCN(C)C(=O)N[C@H](CCC(C)C)C(C)(C)C 488983950 QDRVHFAFWFGQNN-CYBMUJFWSA-N 254.418 3.665 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1c(C)cc(C)cc1C 489444908 XOPFZUINIQVFHG-INIZCTEOSA-N 286.419 3.591 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)c1cccc(F)c1 489737497 IBTVAOMXKPQXPM-UHFFFAOYSA-N 277.383 3.822 30 20 CHED C=CCn1cccc1C(=O)N(CC)c1cc(C)cc(C)c1 490061503 XAWUACVTEXZIBP-UHFFFAOYSA-N 282.387 3.958 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 491623021 FOOWWFAKFIMZAD-QWHCGFSZSA-N 298.361 3.703 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCC(F)(F)C2)CCC1 499503275 MGMBBGSAZPXNAG-GFCCVEGCSA-N 271.351 3.675 30 20 CHED C[C@@H](NCCCC1(C#N)CCOCC1)C1CCCCC1 499598878 DIYUXQJMUZEHFS-OAHLLOKOSA-N 278.440 3.645 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@H](C)c1ccccc1 500211334 MDASJZCTMSYPCC-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED CO[C@H]1Cc2ccccc2N(CCCCC(C)(C)C#N)C1 502493058 GOPCNUXECSYALK-INIZCTEOSA-N 286.419 3.784 30 20 CHED C=CCC[C@@H](NS(=O)(=O)C[C@H](C)CC)c1ccccc1 503224242 RBAWNUONEHWZFH-GDBMZVCRSA-N 295.448 3.659 30 20 CHED CN(CCOc1ccccc1Cl)c1ccc(C#N)cc1 505738092 MIDOYBCTFADOFY-UHFFFAOYSA-N 286.762 3.727 30 20 CHED C=C(C)CCN1CCC[C@@H](CN2CCCC[C@H]2C)C1 509702516 ZQWJYLOWOXTUHD-IAGOWNOFSA-N 264.457 3.539 30 20 CHED N#Cc1cccc(NC(=O)NC2(C(F)F)CCCCC2)c1 513525129 NHGDDGKJFYXABJ-UHFFFAOYSA-N 293.317 3.648 30 20 CHED N#Cc1c(F)cccc1NCCCOCCc1ccccc1 515501843 OVICQOKLPQQAPW-UHFFFAOYSA-N 298.361 3.759 30 20 CHED CCCN(Cc1ccccc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 524892970 VJPMJZUJFQUZNS-KURKYZTESA-N 298.430 3.584 30 20 CHED N#Cc1ccc(-c2nc3cc(F)ccc3n2C2CC2)o1 525720258 STIZEWPNHOJWBU-UHFFFAOYSA-N 267.263 3.642 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)c2cccnc12 527034692 POSSTOHVJBOPAI-KRWDZBQOSA-N 284.359 3.784 30 20 CHED N#Cc1cc(-c2ccc(CN3CCCC3)cc2)ccc1O 527589685 YXECGLJNEIYVOT-UHFFFAOYSA-N 278.355 3.527 30 20 CHED N#Cc1ccc(C(=O)N[C@H](c2cccs2)C2CC2)s1 530672316 YVDNZOXYDAFJSN-ZDUSSCGKSA-N 288.397 3.562 30 20 CHED CCN(CC#Cc1ccc(F)cc1)CCc1cccs1 532609939 CUYQVUOFPYDUBB-UHFFFAOYSA-N 287.403 3.803 30 20 CHED C=CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C1CC1 536819928 GKKFWLHEBISKEH-CQSZACIVSA-N 297.320 3.900 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCC[C@H](SC)C1 537187710 UOPYNSKUOODLOJ-MJBXVCDLSA-N 284.469 3.705 30 20 CHED CC(=O)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 538268942 PYWFUIDUIKLUBE-UHFFFAOYSA-N 298.729 3.667 30 20 CHED CC(C)N(CCC#N)C[C@H](C)CCc1ccccc1 538308452 UWIYHKKZVCHMDN-MRXNPFEDSA-N 258.409 3.879 30 20 CHED N#Cc1ccc(CNc2ccc(OC3CCCC3)nc2)s1 539694032 PJNHYGITMUQLMT-UHFFFAOYSA-N 299.399 3.948 30 20 CHED Cc1ccnc(N2CCC(c3ccccc3)CC2)c1C#N 542210521 ATWGDRRGUWDPED-UHFFFAOYSA-N 277.371 3.646 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1ccc(C2CCC2)cc1 551960351 QXAUVSGYAOJKAV-UHFFFAOYSA-N 291.354 3.782 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)C1CC1 556853455 SNEZUGIVGPXKLN-YOEHRIQHSA-N 286.419 3.614 30 20 CHED N#CC1(N(C(=O)CC2CCCCCC2)C2CC2)CCC1 560117029 FGDZKWVQXJOROD-UHFFFAOYSA-N 274.408 3.784 30 20 CHED C=CCC1(c2nc(CCc3ncccc3C)no2)CCC1 560354711 RCNHWUWCHOFSQL-UHFFFAOYSA-N 283.375 3.556 30 20 CHED C=CCC[C@@H](NCc1c(C)nn(CC)c1C)c1ccco1 560529639 XIFSLQWCKFFGJH-MRXNPFEDSA-N 287.407 3.910 30 20 CHED CC[C@](C)(C#N)C(=O)NC(C)(C)c1cccc(Cl)c1F 563412680 PTSCTAGJIPGKKY-OAHLLOKOSA-N 296.773 3.770 30 20 CHED C=CCC(C)(C)c1noc(C[C@H]2OCCc3ccccc32)n1 563674171 LXPDOUQFEYBOSD-OAHLLOKOSA-N 298.386 3.780 30 20 CHED CC1CCC(CNC2(c3cccc(C#N)c3)CC2)CC1 563827066 OPOJCKJXMUTWIM-UHFFFAOYSA-N 268.404 3.963 30 20 CHED C=CCC[C@@H](NCc1ncccc1O)c1ccccc1 564301208 IPKRASWEZXTUMQ-OAHLLOKOSA-N 268.360 3.584 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C 565807271 OEEUUVZEFUSWBP-UGSOOPFHSA-N 297.377 3.801 30 20 CHED C=CCCC[C@H](C)NCc1cc(OC)c(OC)cc1F 568030126 JMYMKNKZAGDWCM-LBPRGKRZSA-N 281.371 3.677 30 20 CHED C=CCC1(C(=O)NCc2ncc(C)s2)CCCCC1 572949036 NBFXXCBDYDLCJX-UHFFFAOYSA-N 278.421 3.594 30 20 CHED COc1ccc2c(c1)N(Cc1ccc(C#N)o1)CCCC2 573651596 NRIHKZLWCNDNOZ-UHFFFAOYSA-N 282.343 3.503 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1c2cc(C)ccc2C[C@H]1C 578801897 BAJJDBHSROGWTK-OPNNQBFTSA-N 285.431 3.799 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1O 581438728 YYGZMFSWMVHJCY-SNVBAGLBSA-N 299.292 3.592 30 20 CHED C=CC[C@@H](C(=O)N1C[C@H](C)OC2(CCC2)C1)c1ccccc1 581727370 AZTKRIDJZVJFKF-DOTOQJQBSA-N 299.414 3.516 30 20 CHED C=CCCCCN1CCN(CCCCC=C)[C@@H](C)C1 582162654 HCPZVMQVJQHUKL-KRWDZBQOSA-N 264.457 3.705 30 20 CHED C=CCn1c(Cc2ccccc2C)nnc1N(CC)CCC 583780728 AJDHYTZTOZPTRZ-UHFFFAOYSA-N 298.434 3.600 30 20 CHED N#Cc1ncccc1SCCCCC1CCOCC1 584182783 KYNCOZVMKXHVAS-UHFFFAOYSA-N 276.405 3.642 30 20 CHED N#Cc1ccc(-c2nc(-c3cccc4ncccc34)no2)cc1 585731254 KIXSLQJEZJXMAH-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 586811905 GVHFQZJHJYRHAR-ZDUSSCGKSA-N 284.281 3.892 30 20 CHED C[C@@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)c(Cl)c1 586977015 ZGQXNVYPEMYQLE-SECBINFHSA-N 292.169 3.855 30 20 CHED COc1ccc(CCC(C)=NOCC[C@@H]2CCCO2)cc1 588557535 HLHVGJSMTQTNCL-KRWDZBQOSA-N 291.391 3.589 30 20 CHED COc1cccc(/C=N\[C@@H]2C[C@H]2c2ccc(F)cc2)c1O 588610420 GCTWXFRTOWHNMJ-MNJPVIPASA-N 285.318 3.515 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccc(C3CCCC3)cc2)C1 588968690 XFHFZACSHUPDRW-KRWDZBQOSA-N 272.367 3.782 30 20 CHED COc1cc(C)ccc1-c1noc(CCCCCC#N)n1 589151934 ZAGRQSDPBLXRFF-UHFFFAOYSA-N 285.347 3.680 30 20 CHED C[C@@]1(C#N)CCCN(C/C=C\c2ccc(F)c(F)c2)C1 589173320 XBMOSHLBYBPFLN-OUMXJLHTSA-N 276.330 3.604 30 20 CHED CC(C)CC[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 589336649 BGGSBLNHYRRJHJ-DYVFJYSZSA-N 256.393 3.960 30 20 CHED C=C(C)COc1cccc(NC(=O)N(CC)CCC)c1 589739112 IFVCFSZDHGKLDI-UHFFFAOYSA-N 276.380 3.905 30 20 CHED CC[C@H](CC(C)C)C(=O)NCc1ccc(C#N)c(Cl)c1 590756854 GHCWSOKNVPIBMS-CYBMUJFWSA-N 292.810 3.900 30 20 CHED C=CCN(C(=O)c1cnc(C2CC2)s1)c1ccccc1 591667483 CIFBZDQNGODURT-UHFFFAOYSA-N 284.384 3.853 30 20 CHED C[C@]1(Cc2ccccc2F)CCCN1CCCCC#N 592143486 FEPYWAZBIGRCGX-QGZVFWFLSA-N 274.383 3.917 30 20 CHED CC(C)[C@@H]1CCC[C@H]1NCCc1ccc(C#N)cc1 595055383 CDHVAQNAPNVIEZ-DLBZAZTESA-N 256.393 3.515 30 20 CHED CCN(Cc1ccc(OC)cc1)[C@H](C#N)c1ccccc1 595292802 APWWZUDRXMUGAT-GOSISDBHSA-N 280.371 3.782 30 20 CHED Cc1cccnc1[C@@H](NCCc1ccc(C#N)cc1)C(C)C 595370973 MMRCWTSDYUEBOG-SFHVURJKSA-N 293.414 3.791 30 20 CHED CSc1ccc(NC(=O)CC2(C#N)CCCCC2)cn1 597087504 GKGRCSNJFKDWOE-UHFFFAOYSA-N 289.404 3.606 30 20 CHED N#Cc1ccc(CN[C@]23CCC[C@@H]2C3)c(C(F)(F)F)c1 597178878 QLXCBXKETFPISH-OCCSQVGLSA-N 280.293 3.609 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCC[C@@H](CC#N)C1 597904125 DCQPJEAKAFFVLI-KBPBESRZSA-N 264.413 3.601 30 20 CHED CCc1oc2ccccc2c1CC(=O)N(CC)C[C@@H](C)C#N 599083150 JGKDHUOXBVBLFE-ZDUSSCGKSA-N 298.386 3.546 30 20 CHED CO[C@@H](CSCC1(C#N)CCC1)c1ccc(F)cc1 600632721 LDALLZIHBWLDIQ-AWEZNQCLSA-N 279.380 3.940 30 20 CHED N#CCCCCSCc1cccc2c1CCOC2 601059815 COCPNKBHVMRSOW-UHFFFAOYSA-N 261.390 3.686 30 20 CHED CCCN(Cc1ccccc1F)C(=O)c1ccc(C#N)cc1 603519945 UVRXRLJPSJXFLM-UHFFFAOYSA-N 296.345 3.750 30 20 CHED CCOc1ccccc1N[C@@H](C#N)Cc1ccccc1 604553176 XJROSBCOURWIQM-OAHLLOKOSA-N 266.344 3.632 30 20 CHED C=CC[C@H](C)NC(=O)CCOc1ccc(C(C)C)cc1 604880119 UQVDKNTUSWNNCH-AWEZNQCLSA-N 275.392 3.660 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@H](C)C1CCCCC1 608822906 AZUCZXDWMVJUQZ-ZFWWWQNUSA-N 264.413 3.647 30 20 CHED C[C@H]1c2ccccc2OCCN1Cc1ccc(C#N)s1 611262749 SVWCSBHZQMFPAV-LBPRGKRZSA-N 284.384 3.575 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 612237681 AVUJYDMXOYSIDE-CQSZACIVSA-N 297.185 3.759 30 20 CHED C[C@H](CN1CCC[C@@](C)(C#N)C1)c1ccc(F)cc1 615136925 KFMDUODWQWGYTQ-CJNGLKHVSA-N 260.356 3.555 30 20 CHED CC(C)(C)C1CCC(CC(=O)N2CC[C@@](F)(C#N)C2)CC1 615579924 IZXDECNGGHNDIB-MQBCKMQZSA-N 294.414 3.693 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](CC)Nc2ccccc2)C1 617783923 JSMOQJPXBUUIPL-RDJZCZTQSA-N 286.419 3.692 30 20 CHED N#Cc1ccc(CNC(=O)Nc2ccsc2)cc1Cl 619789684 NQOVQPDXRPWVOJ-UHFFFAOYSA-N 291.763 3.595 30 20 CHED CC#CCCCC(=O)N(C)c1ccc(F)cc1Cl 622931024 XYIHYHCHANJGED-UHFFFAOYSA-N 267.731 3.636 30 20 CHED C=CCCOCC(=O)Nc1cc(C)ccc1C(F)(F)F 622954562 WSNQQUMQJYVXPO-UHFFFAOYSA-N 287.281 3.545 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@H](C)c1ccc(C)cc1 628258526 HLJFAMBHCOGTBA-SZMVWBNQSA-N 273.420 3.669 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCc1nc(C)cs1 657836227 SZCDXKDXWJOSMF-ZIAGYGMSSA-N 264.438 3.719 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCCCN(C)C1CC1 658029809 AXKSAZRBAOJYQJ-DOTOQJQBSA-N 264.457 3.585 30 20 CHED C=C1CCN(Cc2cccc(OC)c2Cl)CC1 659910362 KEEMUNWAKDRSQC-UHFFFAOYSA-N 251.757 3.501 30 20 CHED C=CCOc1ccc(OCc2oc(CC)nc2C)cc1 663985174 UEAIHTHXMDTBNP-UHFFFAOYSA-N 273.332 3.689 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Cl)cc1SC 667378665 CMSGMIJOESCIBY-UHFFFAOYSA-N 270.785 3.712 30 20 CHED C=C[C@H](C)N[C@@H](COC)c1cccc(C(F)(F)F)c1 675933405 DLTNWLYYBDHLNT-GWCFXTLKSA-N 273.298 3.557 30 20 CHED C=CCOc1cccc(CN(CC)Cc2ccoc2)c1 678233381 BLVVSIDVSJULKA-UHFFFAOYSA-N 271.360 3.867 30 20 CHED N#Cc1ccc(COc2cc(F)cc(Cl)c2)cc1 703710801 XDPINLDJYIRBNH-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CCO[C@H]1CCC[C@H](Nc2cccc(CC#N)c2)C1 721166962 LIRCOSKRMMCDAU-HOTGVXAUSA-N 258.365 3.512 30 20 CHED Fc1ccc(-c2nc(C=NNC3CCCC3)cs2)cc1 727651607 ICSJQLGFZZFNKB-UHFFFAOYSA-N 289.379 3.815 30 20 CHED Clc1nc2ccccc2cc1C=NNC1CCCC1 727651930 DORZFPZYRZFLCM-UHFFFAOYSA-N 273.767 3.754 30 20 CHED Cc1cc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)ccc1O 728230246 CFDVWIXRQHSTQF-VURMDHGXSA-N 284.359 3.617 30 20 CHED CCCNN=C(C)c1ccc(SC(C)C)cc1 728425936 PUDYXRMYQLYQEO-UHFFFAOYSA-N 250.411 3.911 30 20 CHED C=CCCOC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 729073764 POAFJCDOMZJXQR-UHFFFAOYSA-N 277.320 3.625 30 20 CHED Cc1cccc2c1CCC2=NNc1ncnc2sccc12 729143619 OKZJYPSJDJJNNW-UHFFFAOYSA-N 294.383 3.762 30 20 CHED COc1cccc(/C=N/[C@@H]2CCc3c(C)cccc32)c1O 729641156 DAODNYAEXJDLJW-YDDPGSGASA-N 281.355 3.816 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)CSc1ccccc1 732394860 QTWULNWTZBHJRH-JTQLQIEISA-N 270.781 3.711 30 20 CHED C=C(Br)CN1CCCC[C@@H](SCC)C1 732590131 HYRSJVKKXRDVQV-LLVKDONJSA-N 278.259 3.503 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1nc2ccccc2s1 734114487 DNYZHLKBRBVVET-LLVKDONJSA-N 299.399 3.557 30 20 CHED C#CCOc1ccccc1CNCc1cc(C)ccc1C 734159434 NQFHHACGTWJQSD-UHFFFAOYSA-N 279.383 3.605 30 20 CHED C=CCNC(=S)N[C@H](CCCCC)C(C)(C)C 734306554 AVDXTDXRSNIJHU-GFCCVEGCSA-N 256.459 3.632 30 20 CHED CCCCCCCCN1CCC[C@H](CNC(=O)C(C)C)C1 740876378 SDNWOMCDIKYNDO-QGZVFWFLSA-N 296.499 3.831 30 20 CHED C#C[C@@H](C)OC(=O)c1ccc(-c2ccccc2Cl)o1 741152514 BFQWLCZWZGRMSQ-SNVBAGLBSA-N 274.703 3.779 30 20 CHED CCC(C)(C)CCOC(=O)c1ccccc1CC#N 744615594 VXJZXYPNBXTNNN-UHFFFAOYSA-N 259.349 3.736 30 20 CHED C[C@H]1CCC[C@@H](C(=O)OCc2cn3ccccc3c2C#N)C1 745160709 UPOZMNNFQPODOF-UONOGXRCSA-N 296.370 3.680 30 20 CHED C(=NOCc1cccnc1)c1ccccc1C1CC1 746588983 WPNPZDYNWLCAIZ-UHFFFAOYSA-N 252.317 3.510 30 20 CHED CCC[C@H](C)CC(=O)OCc1ccc(C#N)cc1C 748921773 JQJSSBZSKREXSJ-LBPRGKRZSA-N 259.349 3.736 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)Oc2ccccc2C)c1 749339625 CBDBHYZVCGLMPT-KRWDZBQOSA-N 293.366 3.772 30 20 CHED Cc1cc(F)ccc1/C=C1/Cc2ccccc2C1=O 750895704 IWYQCZLLOVGDQR-ZROIWOOFSA-N 252.288 3.957 30 20 CHED CCCCNN=C(C)c1sc(C(C)C)nc1C 751131380 UMAWEACUNCYIJD-UHFFFAOYSA-N 253.415 3.689 30 20 CHED COc1cccc(O)c1/C=N/C[C@H](c1cccnc1)C(C)C 751291605 NDQQMRJZQNAWIZ-SLDJAQPHSA-N 298.386 3.655 30 20 CHED C#CCN(CC)C(=O)Cc1csc2ccc(Cl)cc12 751698600 RAQXGHSOCMOYKB-UHFFFAOYSA-N 291.803 3.579 30 20 CHED Fc1cccc(F)c1NN=C[C@H]1CCOc2ccccc21 752165524 JQJULPMEWMWDDG-LLVKDONJSA-N 288.297 3.929 30 20 CHED C#C[C@H](CC)NC(=O)N(CC)[C@H](CC)c1ccccc1 753258284 ADUBBKRTYFRINU-HZPDHXFCSA-N 272.392 3.581 30 20 CHED CC(=NN=C1CC(c2cccc(Cl)c2)C1)c1cnccn1 753932373 OKOFZSOLUNWCEX-UHFFFAOYSA-N 298.777 3.873 30 20 CHED O=[N+]([O-])c1ccccc1NN=C[C@@H]1C[C@@H]1c1ccccc1 755466275 YGBGGPQIPMUAQK-UONOGXRCSA-N 281.315 3.796 30 20 CHED Cc1ccc2c(C)cc(NN=CC3CC3)nc2c1C 755591931 CRMZXCDNMHGMBL-UHFFFAOYSA-N 253.349 3.968 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)Cc2c(F)ccc(F)c21 755599019 NCANRQNSPKDCJD-UITAMQMPSA-N 290.240 3.632 30 20 CHED C[C@@H](CC=NNc1nccnc1Cl)c1ccccc1 755717942 UMRNQRUDRUHHHM-NSHDSACASA-N 274.755 3.722 30 20 CHED Fc1cc(C=NO[C@@H]2CCCCO2)cc(C(F)(F)F)c1 755824263 PHIDUOGYGYOPPG-GFCCVEGCSA-N 291.244 3.722 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccoc1 755891523 IFKAURKUZZHUNB-UHFFFAOYSA-N 254.211 3.533 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2F)cccc1[N+](=O)[O-] 756777360 IEFUPIFUZWPDHH-MDZDMXLPSA-N 285.274 3.938 30 20 CHED C#CC[C@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1 756953340 MIQMJCHGIDCCRE-LBPRGKRZSA-N 291.276 3.672 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cnc3cccc(C)n23)c1 757475790 LFLKKEOXEXVQOS-CLFYSBASSA-N 292.338 3.553 30 20 CHED C#CCCCC(=O)N(CCC(C)C)CCC(C)C 757933673 ZFIFAJIJTYKFSR-UHFFFAOYSA-N 251.414 3.711 30 20 CHED COc1cc2c(cc1/C=C/C(=O)c1ccc(C)cc1)OCO2 758912697 XCHDHTMGZBULFJ-BQYQJAHWSA-N 296.322 3.628 30 20 CHED COc1ccc(CNN=C(C)Cc2cccc(F)c2)cc1 759202566 SEBODRLYPJPKPQ-UHFFFAOYSA-N 286.350 3.543 30 20 CHED O=C(O)c1cccc(NN=Cc2cccc(Cl)c2F)c1 759647391 YNUMYTAVLVIBTR-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Fc1cc(C=Nn2cnc3ccccc32)c2ncccc2c1 760239958 SNLOLFBDIDCXBD-UHFFFAOYSA-N 290.301 3.606 30 20 CHED Cc1cc(/C=C2/CCc3cc(O)ccc3C2=O)cnc1Cl 760266489 VLOUFSWCYSWGPB-QPEQYQDCSA-N 299.757 3.962 30 20 CHED CC[C@H](CC(=O)[C@H](C#N)c1ccncn1)c1ccc(C)cc1 760339091 IBFUBZZMWQYYNW-GDBMZVCRSA-N 293.370 3.545 30 20 CHED N#Cc1cccc([C@@H]2CN(CCC3CCCC3)CCO2)c1 761761075 BXHRRYJNEBNDPH-SFHVURJKSA-N 284.403 3.512 30 20 CHED C#CCOc1cccc(-c2noc([C@H](CC)SC)n2)c1 761781398 GUVPWLYGMOOMKE-ZDUSSCGKSA-N 288.372 3.563 30 20 CHED COc1cc(F)ccc1NN=C(C)Cc1ccsc1 761884941 NKHDLAWYFREGNV-UHFFFAOYSA-N 278.352 3.926 30 20 CHED CC1(C)CCC(C=NNc2ccc([N+](=O)[O-])cn2)CC1 764683287 SHSGQZXGUZICFF-UHFFFAOYSA-N 276.340 3.604 30 20 CHED Cc1cc(OC(=O)Cc2cc3ccccc3o2)ccc1C#N 765092861 CCZSUBRKBPEAGF-UHFFFAOYSA-N 291.306 3.761 30 20 CHED Cc1ccc(C=NNCc2ccc(C#N)cc2)cc1Cl 766454459 ZAYRAIBXNFSMRZ-UHFFFAOYSA-N 283.762 3.644 30 20 CHED Cc1cncc(C(=O)/C=C\c2coc(-c3ccccc3)n2)c1 767367440 NVRHDQKGUXXNFL-FPLPWBNLSA-N 290.322 3.941 30 20 CHED CC(C)CN(CCC#N)C[C@@H]1C[C@@H]1c1ccccc1 768154469 UESJXODYIBMESP-DLBZAZTESA-N 256.393 3.662 30 20 CHED C#CCCN(Cc1cc(F)ccc1C)CC(F)(F)F 768533684 JGKKDRMQMUQDPR-UHFFFAOYSA-N 273.273 3.522 30 20 CHED O=C1CCCN1N=Cc1ccc(-c2cccc(F)c2)s1 769593991 UYMXFKIRFSWSHA-UHFFFAOYSA-N 288.347 3.511 30 20 CHED O=C1/C(=C/c2cccc3nccn23)Cc2ccc(Cl)cc21 769614186 ISRBECXQCNTYPC-FMIVXFBMSA-N 294.741 3.810 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(C#N)cc1 769839661 FNYMQYHMHVUGGT-UHFFFAOYSA-N 267.307 3.842 30 20 CHED C=C(C)CCN[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 769918789 APOWRHJFFQURBK-HNNXBMFYSA-N 296.455 3.626 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@@H]3C2)s1 771015473 MJSKBWLCXNYMQN-QJPTWQEYSA-N 275.373 3.745 30 20 CHED FC(F)(F)c1ccc(NN=C2CC3(CCC3)C2)nc1 772833279 NZOCYGDIXOXWMO-UHFFFAOYSA-N 269.270 3.832 30 20 CHED C[C@H](C(=O)OCCCCC#N)c1cn(C)c2ccccc12 772852278 KCPPOLXDVKTSMW-ZDUSSCGKSA-N 284.359 3.519 30 20 CHED CC(C)c1nccnc1NN=C[C@@H]1CCC[C@H](C)C1 773091470 QPIQTNQKCXBIIU-QWHCGFSZSA-N 260.385 3.824 30 20 CHED COc1cccc(O)c1C=Nc1cccc2cc[nH]c12 773904372 AJICWSKPXZXBMP-UHFFFAOYSA-N 266.300 3.633 30 20 CHED Cc1cc(/C=C2/CC(=O)Nc3ccccc3C2=O)ccc1F 774143380 WJLDTQJBYMKBNN-LCYFTJDESA-N 295.313 3.743 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccc(Cl)cn1 774373905 BFOXYYOSFHCHHN-UHFFFAOYSA-N 294.185 3.902 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cccc(Cl)c1F)OCC 774871541 BJESRZJGGWEQOB-GFCCVEGCSA-N 286.730 3.756 30 20 CHED C[C@@H]1CC[C@H](CC(=O)OCc2cccc(C#N)c2F)C1 774968482 DTRYJDDMRUIDCW-NEPJUHHUSA-N 275.323 3.567 30 20 CHED CC(C)c1cccc(OCC(=O)OCCC(C)(C)C#N)c1 776375377 DTPXFFXIBHMOAN-UHFFFAOYSA-N 289.375 3.672 30 20 CHED COc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1 776779766 LHSHEWPQLJDZPQ-NSHDSACASA-N 270.307 3.879 30 20 CHED CC(Cc1ccncc1)=NNc1nc2ccccc2cc1C 776782140 FXVIPGQELALGKQ-UHFFFAOYSA-N 290.370 3.969 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 776960232 CJDSKNCXCGJJFZ-CYBMUJFWSA-N 275.396 3.613 30 20 CHED Cc1cccc(C=NNc2ccc(F)cn2)c1OC(F)F 777885904 OKJFTURVXMIENF-UHFFFAOYSA-N 295.264 3.577 30 20 CHED Clc1ccnc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 777905150 CFJFROODGGPUMS-JHEVNIALSA-N 275.783 3.959 30 20 CHED C=CC[C@H](C(=O)OCCc1c(C)noc1C)c1ccccc1 778427643 NMABXLBUCLGYSQ-KRWDZBQOSA-N 299.370 3.737 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1ccc(Cl)c(C#N)c1 779762542 IMSVKYWRJGNBRF-MDZDMXLPSA-N 262.740 3.897 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1/C=C\c1ccccc1 780013472 ORAHSSSORICKEB-KVPUOBJLSA-N 290.794 3.626 30 20 CHED C#CCCCCCC(=O)OCc1ccc(F)c(F)c1 780255321 QBCQKFXYPPGPHL-UHFFFAOYSA-N 266.287 3.592 30 20 CHED CC[C@H](C#N)OC(=O)CCSc1ccccc1Cl 781131231 IXJLIEFPBZDWHC-SNVBAGLBSA-N 283.780 3.668 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCC(C)(C)C1 781683760 CYWSMOCOKDDSSP-LBPRGKRZSA-N 289.350 3.603 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)COc2ccccc21 782306040 OXNDTCSFIFVBIC-XFFZJAGNSA-N 283.352 3.679 30 20 CHED C[C@@H](CC#N)OC(=O)c1cc2cccc(Cl)c2o1 783098968 PIZLNKVABOFWAQ-QMMMGPOBSA-N 263.680 3.545 30 20 CHED CC(=NNc1ccnc2cc(Cl)ccc12)[C@H]1CCCO1 783782314 CYBNABPAPZESHY-OAHLLOKOSA-N 289.766 3.855 30 20 CHED CCCCC[C@H](CC)C(=O)N1CCC[C@@](C)(C#N)C1 784745579 KHFULQZAHDKWJQ-HOCLYGCPSA-N 264.413 3.745 30 20 CHED C[C@H]1CCCC[C@@H]1OCCNc1nc(Cl)c(C#N)s1 787898126 XZGWJTHRXFQORO-UWVGGRQHSA-N 299.827 3.675 30 20 CHED C#CCC1(C(=O)N(CCC)CC(C)C)CCCCC1 788432936 UIFIVJACLTXEJF-UHFFFAOYSA-N 263.425 3.855 30 20 CHED CC(=NNc1ncccc1C)c1ccc(C#N)cc1Cl 788440353 GUVJJNHRMFLDSY-UHFFFAOYSA-N 284.750 3.751 30 20 CHED Cc1cc(Cl)ccc1C[S@@](=O)CCC(C)(C)C#N 790140123 WOYKJZFSBACQGU-SFHVURJKSA-N 283.824 3.837 30 20 CHED Cc1ccc(-c2nc(C=NNc3ncccc3C)co2)cc1 790193216 YNPCWLASNKWMOU-UHFFFAOYSA-N 292.342 3.799 30 20 CHED COCCON=C1CCCc2[nH]c3ccc(Cl)cc3c21 790294902 ZIWROMZDRSOYAQ-UHFFFAOYSA-N 292.766 3.525 30 20 CHED CCCCCCCCCN(C)C[C@H]1CCN(C(C)=O)C1 792265173 ISYGKXLFMRHNML-QGZVFWFLSA-N 282.472 3.537 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(-n2ccnc2)nc1 793524902 MANQGVHCKAFMRY-MRXNPFEDSA-N 298.434 3.882 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1C[C@@H](OCC)[C@@]12CCCO2 793554422 PRRBZWRZCHCHCA-BSDSXHPESA-N 295.467 3.828 30 20 CHED CC(C)[C@@H](C=NNc1ncccc1[N+](=O)[O-])c1ccccc1 794521586 ZAYCELVSNSAESO-CQSZACIVSA-N 298.346 3.827 30 20 CHED CSCCON=CCCc1c(F)cccc1Cl 794574098 VCTNKISABJNUAG-UHFFFAOYSA-N 275.776 3.777 30 20 CHED CCc1ccccc1CON=Cc1cc(OC)cc(OC)c1 794728140 VDASNKKBCLJOON-UHFFFAOYSA-N 299.370 3.817 30 20 CHED CCOc1ccc(/C=C2\COc3cc(F)ccc3C2=O)cc1 794728680 UHIRPIHKBIPJEI-UKTHLTGXSA-N 298.313 3.883 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccnn1C(C)C 794942957 TZAOWJGGUUPVFG-VOTSOKGWSA-N 299.330 3.577 30 20 CHED CCSc1ccc(C(C)=NOCCCOC)cc1 795043329 BBLMQSWCPZIDMM-UHFFFAOYSA-N 267.394 3.576 30 20 CHED C[C@@H](C#N)OCCS[C@@H]1CCc2cc(Cl)ccc21 795382352 MGWQVZQTTQJTLV-IINYFYTJSA-N 281.808 3.989 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)CC[C@H](C)CC 796640354 NFKKDLXIWSORSG-GFCCVEGCSA-N 277.339 3.603 30 20 CHED C[C@H](OC(=O)C1CC(C)(C)C1)c1cccc(C#N)c1 796964414 ZDAJWGYYZIAUEJ-NSHDSACASA-N 257.333 3.599 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)o1)c1cc(C)ccc1OC 797031992 JMKZUADRSRMTMK-AWEZNQCLSA-N 299.326 3.776 30 20 CHED C#CCCCCC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567258 FHWDGSZMBHYXCV-GFCCVEGCSA-N 288.416 3.810 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C/c1ccc(Cl)s1 798552067 XERJQFRMFLUHTQ-TTZKWOQHSA-N 269.797 3.886 30 20 CHED CCCN(CCO[C@@H](C)C#N)[C@H](CC)c1ccccc1 801913205 ABTITOILZGGVJD-DOTOQJQBSA-N 274.408 3.778 30 20 CHED Cc1nsc(NCc2cccc(OC(C)C)c2)c1C#N 804357337 DTTUFYIKYLYQKO-UHFFFAOYSA-N 287.388 3.723 30 20 CHED CCN(CC)c1ccc(CNc2cc(C)nc(C#N)c2)cc1 804357546 JDUSIYGSXGZSOP-UHFFFAOYSA-N 294.402 3.720 30 20 CHED CCCCCCCC(=O)NCC1(c2ccccn2)CCC1 804699104 YVWBBPSOYKVXBD-UHFFFAOYSA-N 288.435 3.980 30 20 CHED C=C(CNC(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 805250611 UTCNDJTZXXKFDJ-RAXLEYEMSA-N 293.366 3.538 30 20 CHED CCc1ccccc1NN=Cc1ccc(C(C)(C)O)cc1 807962860 ITOANZGTKLLLPE-UHFFFAOYSA-N 282.387 3.922 30 20 CHED Clc1sccc1C=NNc1nccnc1C1CCC1 807992687 KJDDFUWEKVEWJY-UHFFFAOYSA-N 292.795 3.905 30 20 CHED C#Cc1ccc(CNC[C@H](c2cccnc2)C(C)C)cc1 809625500 IQIDKZNWDMAIRY-IBGZPJMESA-N 278.399 3.592 30 20 CHED C=CCCc1ccccc1NCc1cnc([C@H](C)O)s1 809661616 KACISAHUYHMPHE-LBPRGKRZSA-N 288.416 3.927 30 20 CHED C#Cc1ccccc1CC(=O)N(CCCC)CCCC 810119742 DTAVAVWAKXDTHR-UHFFFAOYSA-N 271.404 3.639 30 20 CHED C=CCCOC(=O)c1nc2ccccc2cc1Cl 810542816 PEBVUCJCOICOJA-UHFFFAOYSA-N 261.708 3.621 30 20 CHED N#C[C@@H](OC(=O)[C@@H]1CCCCCC(=O)C1)C1CCCCC1 811381344 PKLJUJQIKHULKC-GDBMZVCRSA-N 291.391 3.542 30 20 CHED C#CCCOc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1 811513551 KBUWGQKDVJKYBL-IBGZPJMESA-N 295.426 3.853 30 20 CHED Fc1ccccc1NN=Cc1ccc2[nH]ccc2c1 811636481 GFHJDQHQXFRYLL-UHFFFAOYSA-N 253.280 3.753 30 20 CHED Fc1cccc2c1SCCC2=NOC/C=C/Cl 811668351 FDSSVTYMBFDGKQ-JNHWVYRUSA-N 271.744 3.795 30 20 CHED C#C[C@H](NC(=O)N(C)C[C@H](C)CC)c1ccc(Cl)cc1 811959727 VJRBIZOZFPGOII-DOMZBBRYSA-N 292.810 3.702 30 20 CHED FC(F)Oc1ccc(Cl)cc1C=NOC1CCC1 812234951 DNNZJEMUIKQGMY-UHFFFAOYSA-N 275.682 3.844 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCCC1CC1 812601494 ADYOHTVJJLYBDH-UHFFFAOYSA-N 251.370 3.830 30 20 CHED Cc1cc(C=NOCC2CC2)ccc1Oc1cccnc1 814243607 GEHRMQOTTBQNBH-UHFFFAOYSA-N 282.343 3.943 30 20 CHED CO[C@@](C)(C=NNc1cccc(Cl)c1)C1CC1 814693459 QXSZDXXPVLCSCR-ZDUSSCGKSA-N 252.745 3.553 30 20 CHED Cc1ccc(NC(=S)NN=C2CC3(CC3)C2)c(C)c1 814710947 VEUFEXMRYGVQHV-UHFFFAOYSA-N 273.405 3.520 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@@H]1CCC(C)C 815337380 KNVPIDOEJUCGJH-OLZOCXBDSA-N 273.367 3.919 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O 815636846 DHBKNVMSBUPRPZ-LLVKDONJSA-N 278.352 3.553 30 20 CHED C=CCC(F)(F)C(=O)OC[C@H](C)c1ccc(OC)cc1 816001520 UYVVEMZARUURTJ-NSHDSACASA-N 284.302 3.553 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCCc2ccc(C)cc21 817021002 PRGMIRKRSCMOLR-CQSZACIVSA-N 279.330 3.700 30 20 CHED C[C@@H](C=NN[C@H](C)c1ccncc1)CCc1ccccc1 819815542 ATLSOUJSAKOLNX-HZPDHXFCSA-N 281.403 3.987 30 20 CHED CCCCCCCCCNC(=O)c1c(Cl)cnn1C 820930491 RBKWYIUFKGCXRO-UHFFFAOYSA-N 285.819 3.554 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)C#CC(C)C 821147452 QZPRQCKZBIQFLS-UHFFFAOYSA-N 279.383 3.848 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)c1cccc(F)c1 823736528 FLDRSHJOCYSBGQ-NVPAJSRCSA-N 274.383 3.991 30 20 CHED CC[C@@H]1CCC[C@H]1CNCc1ccc(O[C@@H](C)C#N)cc1 824655249 VSTRAOHVTLNBAD-UAGQMJEPSA-N 286.419 3.893 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)c(OC)c(Cl)c1 834887008 CBFOUANBXMFDRK-GLQYFDAESA-N 295.810 3.651 30 20 CHED CC(C)CON=C1CCC(OC2CCCC2)CC1 834967038 WYVVLPGCZRFWPT-UHFFFAOYSA-N 253.386 3.917 30 20 CHED CCn1ccnc1C(C)=NOc1ccccc1C(F)(F)F 834967299 XAJMPZUDSQCJPK-UHFFFAOYSA-N 297.280 3.725 30 20 CHED CC(C)(C)C#CC(=O)OCc1nc(C(C)(C)C)cs1 838372942 PUXZTZHVUBXCLX-UHFFFAOYSA-N 279.405 3.533 30 20 CHED N#Cc1cccc(C=NNc2ccc3ccccc3n2)c1 839384819 IISAIPTUHSBKFD-UHFFFAOYSA-N 272.311 3.552 30 20 CHED CCCCCCCCC(=O)Nc1cccn(CC)c1=O 839813569 ZQNKVMDVRCTIBP-UHFFFAOYSA-N 278.396 3.557 30 20 CHED Cc1cc(/C=C\C(=O)c2cc3c(s2)CCCC3)n(C)n1 841485978 RDYQLDJMBBFRFJ-FPLPWBNLSA-N 286.400 3.565 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1O 841762123 LYQQQNUHPKZALO-SCLBCKFNSA-N 292.382 3.992 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 842376149 KHUCFIWYHNJPEJ-UKRRQHHQSA-N 286.371 3.676 30 20 CHED C[C@H](CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)C1CC1 842941236 HPBIRRRTIXEMMS-BXKDBHETSA-N 274.389 3.633 30 20 CHED CCCC(C)(C)C(=O)Nc1ccccc1O[C@@H](C)C#N 844475755 XRRYSACGLAEOMG-LBPRGKRZSA-N 274.364 3.742 30 20 CHED CCCn1nccc1/C=C/C(=O)c1cc(C)cc(C)c1 853006029 ODGIEXOTMZCUGI-AATRIKPKSA-N 268.360 3.806 30 20 CHED Cc1c(Br)cncc1C=NN[C@H](C)C(C)(C)C 853349919 LOIJFDDSRUOOSQ-SNVBAGLBSA-N 298.228 3.511 30 20 CHED CC/C(=C\C(=O)N1CCC[C@@H](CC#N)C1)c1ccc(C)cc1 855254859 QYMQZKOAIXDYPM-YKBBIGDRSA-N 296.414 3.941 30 20 CHED C#CCCCCC(=O)Nc1ccccc1NC(C)C 855861531 FCSWRYVYABAMSW-UHFFFAOYSA-N 258.365 3.639 30 20 CHED C=CCCONC(=O)c1ccc(Cl)c(C(F)(F)F)c1 856033339 CYFDFQFUQZTADT-UHFFFAOYSA-N 293.672 3.596 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCCCN(C)C1 862792171 OPIHYTUNLXJTQC-MRXNPFEDSA-N 282.472 3.585 30 20 CHED Fc1ccc(C=NNCc2ccccc2Cl)cc1 864029097 YKSCBYFQGWOSPE-UHFFFAOYSA-N 262.715 3.603 30 20 CHED C=CCCCC(=O)Nc1c(Cl)cccc1OC 876444921 NIWCGYYMTOZXAF-UHFFFAOYSA-N 253.729 3.643 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](CCC)[C@H](O)c1ccccc1 879827624 ZNSPWADHKLSONY-NVXWUHKLSA-N 289.419 3.607 30 20 CHED C[C@H](OC(=O)[C@@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 885668179 TUFFYGQFNMVCJW-XJKSGUPXSA-N 299.370 3.512 30 20 CHED C=C1CCC(C(=O)N(CCC)CC(F)(F)F)CC1 888169282 FKWXNACSTUWNSS-UHFFFAOYSA-N 263.303 3.534 30 20 CHED CN(C[C@@H]1CC=CCC1)C(=O)Nc1cc(C#N)ccc1F 888364158 ZOJJAPRKUPVRAE-GFCCVEGCSA-N 287.338 3.517 30 20 CHED C=C1CCC(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 889816944 WUGOCBXBQAFAEB-OAHLLOKOSA-N 288.778 3.767 30 20 CHED CC(C)=CCSc1cc(C#N)sc1[N+](=O)[O-] 893547101 WHDFXZRMFWARES-UHFFFAOYSA-N 254.336 3.586 30 20 CHED C=C1CN(C(=O)[C@@H](CC)c2cccc(C(F)(F)F)c2)C1 898698096 CITZTTBGAPJKQE-ZDUSSCGKSA-N 283.293 3.597 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cn(C)nc2C2CC2)c1 899351056 YDEMNQQRYMKBAG-KTKRTIGZSA-N 296.370 3.592 30 20 CHED CC[C@@H](CSCc1cc(C#N)ccn1)CC(F)F 901802752 NGGZGASRJBZWEG-SNVBAGLBSA-N 270.348 3.868 30 20 CHED COc1cccc(OC)c1OCCCCC1(C#N)CCC1 902684856 RPBZQZHNRAXREA-UHFFFAOYSA-N 289.375 3.947 30 20 CHED CC(=O)C(C)=NOCc1csc(C2CCCCC2)n1 902760600 UOASEDPSKFAKTP-UHFFFAOYSA-N 280.393 3.672 30 20 CHED COc1cc(Cl)ccc1[C@H](C)NCC(C)(C)C#N 903102332 WJVYAQCNXNEFSA-JTQLQIEISA-N 266.772 3.549 30 20 CHED CCO[C@H](c1noc(CC2(C#N)CCCCC2)n1)C(C)C 904127014 CVVDLAZXEOKLCB-AWEZNQCLSA-N 291.395 3.820 30 20 CHED C[C@@H](C(=O)N(O)Cc1cccc2ccccc12)C(F)(F)F 904171735 SFFJELBZTDPHOU-JTQLQIEISA-N 297.276 3.756 30 20 CHED Cc1cc(C)c(C=NNc2cncc(Cl)n2)c(C)c1 914560043 OIINJFDALGIGBE-UHFFFAOYSA-N 274.755 3.501 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 915988782 HLHPCHHAQHWVDC-BQYQJAHWSA-N 294.276 3.941 30 20 CHED CCOc1cccc(/C=N/Cc2ccc(C)c(OC)c2)c1O 920174796 QIDJOJSSHMWKSZ-XDHOZWIPSA-N 299.370 3.727 30 20 CHED C=CCCOCC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 920465021 UYQWBFXMEPKQLY-HUUCEWRRSA-N 281.440 3.548 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H](C)Oc1ccccc1F 925156741 LKXNSBOVPKFICW-CHWSQXEVSA-N 278.371 3.511 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1c(F)cc(F)c(F)c1F 926320613 IZTBFRFWIQDBBI-QMMMGPOBSA-N 288.288 3.661 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(C(C)(C)O)cc1 926349786 DZKKEUVMDNGTNB-CJNGLKHVSA-N 261.409 3.919 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CCC1(C)CC1 929970564 FJAMCNYMQNUEQC-UHFFFAOYSA-N 284.403 3.877 30 20 CHED N#CC1(CCCCN2CCSC[C@H]2C2CC2)CCC1 930641871 HKYVVOHJUWCSHH-HNNXBMFYSA-N 278.465 3.678 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 933015649 UIVSOPFSGYDTBD-YEWWUXTCSA-N 284.403 3.687 30 20 CHED N#C[C@H]1CC[C@@H](N2CC=C(c3c[nH]c4ccccc34)CC2)C1 933818369 IGZRKMZKPYAIHL-GOEBONIOSA-N 291.398 3.949 30 20 CHED CN(CCCC(C)(C)C#N)Cc1cc(-c2ccccc2)n[nH]1 934416765 NYWXIQAAJBOFEK-UHFFFAOYSA-N 296.418 3.838 30 20 CHED C=CCn1cnn(CN2CCC[C@H]2CCCCC)c1=S 1116303287 HUTLMSGIOMOHGJ-CQSZACIVSA-N 294.468 3.602 30 20 CHED C=C(CC(C)C)C(=O)Nc1scnc1C1CC1 1123678586 VYDDRUPCNJVTEW-UHFFFAOYSA-N 250.367 3.561 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(C#N)cc1 1125599339 LBOKFRYGWAKOAY-JLSDUUJJSA-N 298.430 3.996 30 20 CHED CO[C@@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C12CCC2 1163459823 RKTOZIHXKQXRFX-LSDHHAIUSA-N 299.418 3.620 30 20 CHED Cc1cc(C)c(/C=C\CN(C)[C@H](C)CC#N)c(C)c1 1180030815 QADUBWLGLPGCDS-MWWKQMNYSA-N 256.393 3.859 30 20 CHED Cc1cc(C#N)cc(NCCc2ccc(F)cc2F)c1 1182334418 QMRVZTJSNIKGIF-UHFFFAOYSA-N 272.298 3.800 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1cc(Cl)ccc1F 1186022818 OTGMIYWXJFLVLF-SECBINFHSA-N 275.714 3.919 30 20 CHED C[C@H](c1cccc(C#N)c1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 1198252814 XKTSTNKTEBEIPY-HWDJUHOGSA-N 280.415 3.987 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1ccccc1C#N 1261591601 LOMPKMOFMLSWBC-OAHLLOKOSA-N 263.312 3.520 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1nc(C#N)c(Cl)s1)CO2 1306995532 QWFBDRAYNTUQKQ-SNVBAGLBSA-N 291.763 3.522 30 20 CHED CC(C)C1(C)CCN(c2cccc(F)c2C#N)CC1 1307100968 FJMHULKUHTZFGX-UHFFFAOYSA-N 260.356 3.960 30 20 CHED Cc1cc(=N[C@@H](C)c2oc3ccccc3c2C)c(C#N)c[nH]1 1307112890 XKRYVIOECHSSNU-ZDUSSCGKSA-N 291.354 3.911 30 20 CHED CC[C@H]1CCC[C@@H]1CNCc1ccc(C#N)cc1F 1308407311 NPCWJLXJRTZNGX-UONOGXRCSA-N 260.356 3.613 30 20 CHED C=C/C=C\CCOC(=O)C[C@H](CC#N)c1ccccc1 1333945088 WDCNAEYJBYHVKO-QGZUEGPWSA-N 269.344 3.749 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](c1ccncc1)C1CC1 1341057075 ICAAMFHICSSRQF-DLBZAZTESA-N 299.418 3.673 30 20 CHED C[C@@H](C(=O)O[C@H](C)CC#Cc1cccnc1)c1cccs1 1345045587 OBWCJBVKVDKAKT-ZIAGYGMSSA-N 299.395 3.620 30 20 CHED CCCc1ccc(NC(=O)c2ccc(C#N)cc2OC)cc1 1347737721 JHWWVCLKIWLTQU-UHFFFAOYSA-N 294.354 3.772 30 20 CHED C#CC[C@H](CC)c1nnc(N2CCCC[C@@H]2CC)n1CC 1352225417 GGHULLFTQUPEDM-GJZGRUSLSA-N 288.439 3.584 30 20 CHED CCCc1ccccc1NC(=O)c1cc(C#N)ccc1F 1357133411 YTNNYVZMIZVZDA-UHFFFAOYSA-N 282.318 3.902 30 20 CHED CSc1ccccc1N(C)C(=O)c1ccc(C#N)cc1 1361018343 HBNBSHZSLMADFU-UHFFFAOYSA-N 282.368 3.557 30 20 CHED CC(C)C[C@H]1CCCCN1CCOc1ccccc1C#N 1459720594 NLKDDEGZPJNRKL-QGZVFWFLSA-N 286.419 3.838 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)CC[C@H]1C 1520423816 UMTPELBPEHKONS-WOPDTQHZSA-N 274.339 3.708 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 1520953840 MNUZIPGPVULXQZ-UHFFFAOYSA-N 286.375 3.502 30 20 CHED C=CC[C@@H](N[C@H](C)CC(C)(C)CC(=O)O)c1ccncc1 1588746146 QDLKYRYETUJDCD-UKRRQHHQSA-N 290.407 3.568 30 20 CHED C=CC[C@@H](Sc1nc2cc(F)ccc2s1)C(=O)O 1588758753 JIIOASWRZFERDM-SNVBAGLBSA-N 283.349 3.557 30 20 CHED CCCCCCCCCCC(=O)N1CC2CC1(C(=O)O)C2 1595704842 IRTPZTQUHMVKSV-UHFFFAOYSA-N 295.423 3.593 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2cc(F)cc(Cl)c2)c1 1602549810 BEOQJZJYHVXZFQ-OWOJBTEDSA-N 294.665 3.666 30 20 CHED CCCC[C@@H](S[C@@H](C#N)c1ccccc1)C(=O)O 1605250611 MARRUIWSCZVGNS-OLZOCXBDSA-N 263.362 3.628 30 20 CHED O=C(O)c1ccc(Cl)c(/C=C\C(=O)c2cccs2)c1 1608892138 DVWHPUMMBCASRJ-XQRVVYSFSA-N 292.743 3.996 30 20 CHED CCC1(CC)CCCN(c2cccc(C#N)n2)CC1 1612254966 GIZLYVHWUQCELJ-UHFFFAOYSA-N 257.381 3.750 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1F)c1c(F)cccc1F 1612945781 MZNDBHRUSBGIEJ-MRVPVSSYSA-N 277.249 3.544 30 20 CHED C[C@@H]1CC(C)(C)CN1Cc1ccc(C#N)cc1Cl 1618582676 HDPWHUCGLFXIES-LLVKDONJSA-N 262.784 3.832 30 20 CHED CCCC1(CNc2nc(C#N)c(Cl)s2)CC1 1642426308 CEIWNDSPLJJPQS-UHFFFAOYSA-N 255.774 3.660 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@H]1c1cccc(F)c1 1653512894 SZXMDAYUUFRKSM-IRXDYDNUSA-N 266.319 3.837 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCC=C(Cl)Cl)n1 1656664072 PNLYOZHFTLWQGQ-UHFFFAOYSA-N 285.174 3.949 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N 1659657182 ATFJWYUQJMFTNC-AWEZNQCLSA-N 289.354 3.788 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C#N)c(F)cc1F 1680083709 UFHFNPWSPOZZMH-NOZJJQNGSA-N 293.317 3.537 30 20 CHED C=C(C)CON=C(C)c1ccc(-c2ccc(C(=O)O)o2)cc1 1776090735 XPURUFXRRKYDRV-UHFFFAOYSA-N 299.326 3.962 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(CC(=O)O)cc2)c1 1776127444 SYMQRLOWCRIBOO-KTKRTIGZSA-N 280.323 3.518 30 20 CHED Cc1ccc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1C 7222912 FPHATNLYILCMOS-CQSZACIVSA-N 293.370 3.614 30 20 CHED N#Cc1cccc(COC(=O)c2cc(Cl)c(Cl)[nH]2)c1 11810174 HDIAQHPJVQNCID-UHFFFAOYSA-N 295.125 3.550 30 20 CHED N#Cc1cccc(NC2CCN(Cc3ccccc3)CC2)c1 20828357 SPRPLFPDVFHQFF-UHFFFAOYSA-N 291.398 3.635 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2)cc1 36623402 QITUOHUNEKDYNY-ZDUSSCGKSA-N 278.355 3.612 30 20 CHED N#CCCCN1Cc2ccccc2[C@@H](c2ccccc2)C1 43670104 SIWXQYODJCXCBE-LJQANCHMSA-N 276.383 3.938 30 20 CHED CCC(CC)CN(CC)Cc1ccc(C#N)cc1F 48335127 BGALIBPCBVJLNZ-UHFFFAOYSA-N 262.372 3.955 30 20 CHED C[C@H](C#N)CNCc1ccc(-c2ccccc2)s1 54181074 CNVFOSUHJHKUBD-GFCCVEGCSA-N 256.374 3.664 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]1C=CCC1 55891407 IRCQHHGPYCQAEI-OAHLLOKOSA-N 285.387 3.566 30 20 CHED C[C@@H](Cc1cccs1)Nc1ccc(Cl)c(C#N)n1 67350054 NYXCCOCKTMQDAX-VIFPVBQESA-N 277.780 3.711 30 20 CHED C[C@@H]1CC[C@@H](NCc2cccc(OCC#N)c2)[C@H](C)C1 70110537 TYRUZYFLXSEXEF-CKEIUWERSA-N 272.392 3.503 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)sc2C)c1 71825999 JKVNHQDKEAOMQR-UHFFFAOYSA-N 255.342 3.599 30 20 CHED N#Cc1ccnc(SCc2cccc(F)c2F)c1 71918534 AGSGARDVJNNBQN-UHFFFAOYSA-N 262.284 3.524 30 20 CHED C=CCN1CCC(c2nc3ccccc3s2)CC1 72577135 FVQLKPLCAPWTHJ-UHFFFAOYSA-N 258.390 3.662 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(CCCSCC#N)C1 74991200 WUIOOBWLIHJYIA-JKSUJKDBSA-N 288.460 3.820 30 20 CHED N#CC1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CCCCC1 76460692 PIZMRBCDKLTYJC-KRWDZBQOSA-N 296.414 3.598 30 20 CHED C=CCCOC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 76872491 YGZFJOSEWHFQHO-UHFFFAOYSA-N 293.338 3.543 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@@H](C(C)(C)C)CC2)n1 79343719 YPPDSXBVAYKBRE-OAHLLOKOSA-N 271.408 3.914 30 20 CHED CC[C@@H](C#N)OC(=O)CCCc1cc(C)sc1C 84711047 JECULGTWOWUETL-ZDUSSCGKSA-N 265.378 3.533 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cn1 89763860 PBCWULBWRCOBGM-XFFZJAGNSA-N 297.745 3.649 30 20 CHED CC(=O)Nc1cccc(NCC(C)(C)CCC#N)c1C 92117860 ZFQAGYTZQUZYPE-UHFFFAOYSA-N 273.380 3.695 30 20 CHED C=CCN(C(=O)CCCc1ccccn1)c1ccccc1 103941193 RXTQATGFMURVKI-UHFFFAOYSA-N 280.371 3.624 30 20 CHED COc1ccc(OC(C)C)c(NCc2ccccc2C#N)c1 106858763 HBDXTMIXOACUST-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3[nH]c(C)cc3c2)CC1 111758327 VSURPVPCLLWWEV-UHFFFAOYSA-N 283.375 3.906 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)CSc1ccc(F)cc1 118941806 ARADZVBKPDIFOP-RYUDHWBXSA-N 281.396 3.635 30 20 CHED COc1ccccc1[C@H]1CCCN1CCC(C)(C)C#N 119909049 KNRAEZDWNSQHOJ-OAHLLOKOSA-N 272.392 3.772 30 20 CHED C=CCN(C(=O)c1ccc(F)cc1C)c1ccccc1 120369621 SGHVXOPDRAGVKM-UHFFFAOYSA-N 269.319 3.967 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccncc1C 121102031 OIABEJVAEVPHPQ-UHFFFAOYSA-N 281.359 3.610 30 20 CHED Cn1c([C@H](C#N)C(=O)C2=CCCCCC2)nc2ccccc21 122680534 CYFDQFSLHRUIKR-CQSZACIVSA-N 293.370 3.640 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 124574180 UBRZDHDXJFXYMF-QWRGUYRKSA-N 299.773 3.638 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2ccc(OCC)cc2C1 127917102 HJSWWLZBCBRYBM-UHFFFAOYSA-N 299.414 3.738 30 20 CHED Cc1cnc(CNc2ccccc2C#Cc2ccccc2)o1 128035310 PVENOJHUUYSFAG-UHFFFAOYSA-N 288.350 3.995 30 20 CHED CCC(CC)CC(=O)N(CCC#N)CCC(C)C 128560333 QOMVRRDSOLLJPY-UHFFFAOYSA-N 252.402 3.601 30 20 CHED CCc1ccc(NCc2cc(C#N)ccc2OC)cc1 129250476 DGGJTHBLCOUPPN-UHFFFAOYSA-N 266.344 3.741 30 20 CHED C=CCCC(=O)CSc1ncnc2sc(C)c(C)c12 134648662 NOMJCTLQQGJSAA-UHFFFAOYSA-N 292.429 3.936 30 20 CHED C=CCn1c(SCCCF)nc2ccccc21 135341035 KFVNTOFBIWDUFG-UHFFFAOYSA-N 250.342 3.674 30 20 CHED C#CCOc1ccc(F)cc1NCCCC(C)(C)C#N 154153181 YCVYEQYOIQXWPW-UHFFFAOYSA-N 274.339 3.580 30 20 CHED CC#CCCOc1ccc(N(C)C(=O)OC(C)(C)C)cc1 154885791 HTLKQCOAJLUUAX-UHFFFAOYSA-N 289.375 3.850 30 20 CHED CC[C@H](C)c1cc(C(=O)N(CCC#N)CC(C)(C)C)on1 155265596 SSMIGZAISMOUEE-LBPRGKRZSA-N 291.395 3.590 30 20 CHED C#CCCCCNC(=O)CCc1ccc2ccccc2c1 156621828 IFRQFBUWWAAMBO-UHFFFAOYSA-N 279.383 3.692 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)C[C@H]1CCCCC1(C)C 161891293 VMJIULWBMDNXJU-CHWSQXEVSA-N 264.413 3.647 30 20 CHED C=CCCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 171434481 YOULISNQSLBHNO-UHFFFAOYSA-N 295.386 3.791 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 174086758 BIUHTTGLHPQRLI-ZWKOTPCHSA-N 298.430 3.768 30 20 CHED N#Cc1ccc(CNCC2(c3cccc(Cl)c3)CC2)o1 174420176 ZKPGCFXZHYTTMZ-UHFFFAOYSA-N 286.762 3.626 30 20 CHED C=CCCC(=O)N1c2ccccc2S[C@H](C)[C@@H]1C 176698882 GZWRMRXKDOZIBU-NWDGAFQWSA-N 261.390 3.869 30 20 CHED Cc1cccc(C)c1C(=O)N[C@@H](C#N)c1ccccc1Cl 179548972 DGEFPSHLRFLEKC-HNNXBMFYSA-N 298.773 3.952 30 20 CHED CCCN(CCC)C(=O)Nc1ccccc1O[C@H](C)C#N 180098915 QAODDNGAZHDVOE-CYBMUJFWSA-N 289.379 3.631 30 20 CHED C=CCSCCN[C@H](C)c1cc(F)ccc1F 180457948 QTJDQPJUXVHEDF-SNVBAGLBSA-N 257.349 3.535 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cc(Cl)c(OC)cc1OC 180946877 ZXNCPHMAJNGFFR-WDEREUQCSA-N 283.799 3.972 30 20 CHED N#Cc1ccc(SC[C@H]2CCCO2)cc1C(F)(F)F 181058736 AGCSMKDHNVXKPB-SNVBAGLBSA-N 287.306 3.848 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@@]1(C#N)CCc2ccccc2C1 183999132 ZODHTTOELYFDOW-KXBFYZLASA-N 298.430 3.626 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 184637799 WVIWPCKAAGHNRY-RYUDHWBXSA-N 297.320 3.632 30 20 CHED C=Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1 185287658 UAYUYKYDCYLDRP-INIZCTEOSA-N 268.360 3.532 30 20 CHED Cc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1Cl 185898897 QPSDOEIWDAIFPE-TZMCWYRMSA-N 262.784 3.820 30 20 CHED CCC1(C(=O)NCc2cc(C#N)ccc2F)CCCCC1 185905060 HGOZDAXSRQWUCP-UHFFFAOYSA-N 288.366 3.674 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 187515896 FQOLCNZSGRKJTC-ZNMIVQPWSA-N 276.424 3.744 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(Br)cc1F 187950914 BZRNFPDHXMGCOF-SNVBAGLBSA-N 299.187 3.933 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnn([C@H](C)C2CC2)c1 189653056 UFEGTZPRHVQCBK-CHWSQXEVSA-N 290.411 3.720 30 20 CHED CC#CCCCC(=O)N1CCC=Cc2ccccc21 190102259 ZGJNMGRSKXPQBT-UHFFFAOYSA-N 253.345 3.630 30 20 CHED N#CCC[C@@H](C#N)CN1CCCC2(CCCCC2)CC1 190318685 ITCCMEYXHRVYSW-INIZCTEOSA-N 273.424 3.866 30 20 CHED C=C[C@H](CC(=O)NCC(C)(C)CC)c1ccccc1 192201472 ZUGWXTTUHDAVHM-CQSZACIVSA-N 259.393 3.899 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1c(C)noc1C)C2=O 194579199 TZWUXFKIDUDSOI-NTUHNPAUSA-N 283.327 3.567 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 211151539 NRGABSDSSUUYPY-VURMDHGXSA-N 289.237 3.769 30 20 CHED CCN(Cc1cccc(C#N)c1F)c1ccccc1 219526137 RNAVZTJMCHIXEC-UHFFFAOYSA-N 254.308 3.724 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1cccc(F)c1C#N 224439636 PPAUXAZNDPNOPR-KGLIPLIRSA-N 264.369 3.783 30 20 CHED N#Cc1ccc(N2CC[C@H]3CCCC[C@H]3C2)c(F)c1 252391802 SBVREGRQVBTYNV-KGLIPLIRSA-N 258.340 3.714 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1F)C2 255870298 FQAUUNWYIUFWAN-UKTHLTGXSA-N 268.287 3.657 30 20 CHED C=C(Cl)CSc1nc(C)nc2ccccc12 255927102 FZEJCXRMTSLXNN-UHFFFAOYSA-N 250.754 3.783 30 20 CHED CC1(c2ccccc2)CC(/N=C(/N)Nc2ccccc2)C1 262167826 OVCSVZWZNJSROA-UHFFFAOYSA-N 279.387 3.534 30 20 CHED C=C1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 264456888 JKEHBLQVJIAFFK-UHFFFAOYSA-N 299.201 3.584 30 20 CHED COc1ccccc1[C@H](C)[S@@](=O)CCCC(C)(C)C#N 266990614 UIQSYIXYDANAGU-RBZFPXEDSA-N 293.432 3.835 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1ccc(C)cc1C)OCC 270051562 RGJSNXMWIWAOPL-INIZCTEOSA-N 275.392 3.638 30 20 CHED C=C(C)[C@H](CC(=O)N(CC(F)F)c1ccccc1)OCC 270339626 NEYCWBVHYKAPIC-AWEZNQCLSA-N 297.345 3.656 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1cccc(C#N)c1 271362941 IOXBKTKUPFWYLY-ACJLOTCBSA-N 298.361 3.563 30 20 CHED C=CCC[C@@H](NC(=O)Cc1cncs1)c1ccccc1 276287031 UKXMEZQKTLNPKZ-OAHLLOKOSA-N 286.400 3.509 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Cc1ccccc1Cl 276438542 SOJQVARCBDUTDK-GFCCVEGCSA-N 265.784 3.553 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC(c2ccncc2)CC1 277176116 NBRKZYBBGTWSCL-UHFFFAOYSA-N 297.789 3.991 30 20 CHED CSc1ccccc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 277870011 KIPFIAOLUGHURH-AWEZNQCLSA-N 288.416 3.563 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2C(=O)CC(C)(C)C#N)c1 279163235 BJRVRKAFYHTSPF-INIZCTEOSA-N 284.403 3.907 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc2oc(C)nc2c1 280344250 HVELCXZPMRAHGN-UHFFFAOYSA-N 286.375 3.955 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)CC(=O)c1ccccc1F 281710480 MTBMLYBXPVCENR-QWHCGFSZSA-N 291.366 3.506 30 20 CHED N#Cc1cccc(OC2CCN(CCCCCF)CC2)c1 284010130 HEDBCOVRVRCIBH-UHFFFAOYSA-N 290.382 3.541 30 20 CHED C=CCC[C@@H](NCC1CCN(C2CC2)CC1)c1ccco1 287279667 CVHIOYFVVBDKON-QGZVFWFLSA-N 288.435 3.751 30 20 CHED C=CCC[C@H](NCc1n[nH]cc1C)c1ccccc1 289480362 JZTLTZIZLNKTMC-HNNXBMFYSA-N 255.365 3.515 30 20 CHED CC[C@](C)(C#N)c1nc(C2(c3cccc(C)c3)CC2)no1 289990513 BSEUZMJESDSDRS-MRXNPFEDSA-N 281.359 3.649 30 20 CHED CCC1(C)CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 291576103 VVDRAEQADBRCKC-UHFFFAOYSA-N 285.391 3.752 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(C)c1Cl 292782133 PZGWCBXWXBIRPR-UHFFFAOYSA-N 277.755 3.582 30 20 CHED COc1ccc2cc(CN(C)[C@H]3CC[C@H](C#N)C3)ccc2c1 293508086 OCSGNQLYMMUIMQ-KSSFIOAISA-N 294.398 3.972 30 20 CHED Cc1ccc(F)c(NC(=O)[C@]2(C#N)CC23CCCC3)c1 294353117 JFZXMKFINMPXQV-MRXNPFEDSA-N 272.323 3.547 30 20 CHED C#CCO[C@H](C)c1nc(C(C)(C)C2=CCCCC2)no1 296910024 PGHNWQPXCPHMEO-GFCCVEGCSA-N 274.364 3.558 30 20 CHED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)C1CC1)c2C#N 297878170 PLLAPIKOXOWXBJ-BDAKNGLRSA-N 274.389 3.654 30 20 CHED CC(C)N(Cc1cccs1)C(=O)c1cccc(CC#N)c1 299176362 XUAGRCLNVWJXEQ-UHFFFAOYSA-N 298.411 3.865 30 20 CHED CC1CCC(N(C[C@@H]2CCCO2)c2ccc(C#N)cn2)CC1 301371170 SUALSCBEAMWDOB-PREGVCBESA-N 299.418 3.517 30 20 CHED Cc1nc2ccccc2nc1N[C@@H](C)c1cccc(C#N)c1 301419216 DDAGQPDSBANJNN-LBPRGKRZSA-N 288.354 3.983 30 20 CHED CCN(c1snc(Cl)c1C#N)C1CCCCC1 301939291 YAIFDOVCWWNDMS-UHFFFAOYSA-N 269.801 3.827 30 20 CHED CC(C)CC[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 302185066 GZLHHLAUINBIRT-CQSZACIVSA-N 287.363 3.871 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccc(C)c1O 303490623 VXIKOJNBFRABFX-UHFFFAOYSA-N 287.403 3.909 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C)c(C)c2)c1 308193343 KXBMOYBSEDPZEF-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CC[C@H]1CCCN(c2nc(Cl)c(C#N)s2)CC1 310285619 QLYZQFAORULVKQ-VIFPVBQESA-N 269.801 3.685 30 20 CHED C=CCCCCN[C@H](C)c1ccc(OC)cc1OC 311562752 AAVFDSWAHYVMOO-CYBMUJFWSA-N 263.381 3.711 30 20 CHED C=C(CC)CN[C@H](C)c1ccccc1OC(F)F 313491871 BJLSRIRZFUBIAA-LLVKDONJSA-N 255.308 3.905 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2nc3ccsc3s2)CCC1=O 329002841 WMELAFQTBMNUTJ-HTQZYQBOSA-N 294.401 3.951 30 20 CHED N#C[C@H](/N=C(/O)CC1CC(c2ccccc2)C1)C1CC1 329754931 XSAHBMIAWADYKU-MOQPWLNLSA-N 268.360 3.829 30 20 CHED Cc1cc(/C(O)=N/CC(C)(C)C2=CCCCC2)cnn1 329853453 VMCSIAWOZATBOU-UHFFFAOYSA-N 273.380 3.616 30 20 CHED CC1(NC(=O)C[C@H](CC#N)c2ccccc2)CCCCC1 331061723 OJYXEHLIGLPOPN-INIZCTEOSA-N 284.403 3.913 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N(CC)CC(C)C)c1C 331110292 ICAGAIHURIHFKW-GFCCVEGCSA-N 280.416 3.686 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2ccc(C3CCCC3)cc2)C1 333301387 QDRQDYLUBUIGBF-SUMWQHHRSA-N 282.387 3.766 30 20 CHED N#CCCCC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 335707258 TTXDVGMYTSRDBX-IBGZPJMESA-N 296.414 3.577 30 20 CHED CCc1c(C)sc(NC(=O)[C@H]2CCC(F)(F)C2)c1C#N 335761607 OJNUVLFSWSNREV-VIFPVBQESA-N 298.358 3.865 30 20 CHED C[C@H](CCc1ccc(C(F)(F)F)cc1)NCCCC#N 338015023 UZBIWDKYFUUABE-GFCCVEGCSA-N 284.325 3.920 30 20 CHED C[C@@H]1Oc2ccccc2[C@H]1Nc1cccc(F)c1C#N 341054623 YGFAWZKHBLAJHI-QFYYESIMSA-N 268.291 3.631 30 20 CHED CC1(C)Cc2occc2[C@@H](NCCc2cccc(C#N)c2)C1 343500678 AYUHMYGAONGRFO-KRWDZBQOSA-N 294.398 3.997 30 20 CHED C=CCCN(C)C(=O)c1cncc(-c2cccc(C)c2)c1 344290298 YXEIGUQCSAZKBA-UHFFFAOYSA-N 280.371 3.705 30 20 CHED C=CCn1c(S[C@@H](C)C(=O)C2CC2)nc2ccccc21 344612287 CKPSEYZXQQUSDW-NSHDSACASA-N 286.400 3.682 30 20 CHED C=CCOCCCN(Cc1ccccc1C)C1CC1 347967400 OHFICLJQSFATCU-UHFFFAOYSA-N 259.393 3.552 30 20 CHED Cc1c(Cl)cccc1NC(=O)N1CCC(F)(C#N)CC1 348178575 ZXMCBDLGZUCXDY-UHFFFAOYSA-N 295.745 3.508 30 20 CHED CCS[C@@H]1CCC[C@H]1NCc1ccc(CC#N)cc1 348531231 LWENTYJHEKWFMO-HZPDHXFCSA-N 274.433 3.516 30 20 CHED CC[C@H](N[C@@H](C)c1ccnc(OC)c1)c1ccc(C#N)cc1 348642784 NQZIYYFWVSCKCY-GUYCJALGSA-N 295.386 3.764 30 20 CHED C=CCCCCNCc1cn(C)nc1-c1ccccc1 349610697 LWIABXGPAPOVAV-UHFFFAOYSA-N 269.392 3.533 30 20 CHED C=C(CNC(=O)N[C@H](C)c1cc(C)oc1C)c1ccccc1 352340673 RDUOLHIBZBNQSV-CQSZACIVSA-N 298.386 3.970 30 20 CHED N#CCCCC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F 352673454 FKGNHCSUEAMECA-ZDUSSCGKSA-N 298.308 3.533 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C)c1ccccn1 355688325 YREZEJITWYBDMR-CQSZACIVSA-N 270.351 3.970 30 20 CHED CCc1ccc(NC(=O)c2ccc(C#N)c(C)n2)cc1Cl 356492657 VGIFNWWMSZYEKX-UHFFFAOYSA-N 299.761 3.730 30 20 CHED Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1O 356525992 ZKYMUIIVUDFLCQ-OAHLLOKOSA-N 294.354 3.727 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H](OCC)C23CCCC3)CCC1 359407725 AIJUPGPJBBGLOD-GJZGRUSLSA-N 291.435 3.587 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CCCS1 360658351 SBCMSLOSWHPFCZ-NVXWUHKLSA-N 286.444 3.811 30 20 CHED CC(C)(C#N)CCCCN1CCC(OCC2CC2)CC1 365433120 PTTPCIUMSVUGLL-UHFFFAOYSA-N 278.440 3.597 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC)cc1Br 393815173 WEOODBVXCCHOGY-LBPRGKRZSA-N 298.224 3.902 30 20 CHED C[C@H](CCC#N)N1C[C@@H](c2ccccc2)C(C)(C)C1 411380389 AUSIYWVKLQDUMN-ZBFHGGJFSA-N 256.393 3.804 30 20 CHED C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSCCC#N 413010978 IHUMLSKKNIPAHY-LLVKDONJSA-N 296.823 3.506 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1ccccc1OC 414158837 ANSINXZADKHXJG-CQSZACIVSA-N 260.381 3.676 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)CCC#N)c(C)c1 414166343 QUKLGXMUVBHZAC-CQSZACIVSA-N 274.408 3.984 30 20 CHED CCc1ccc([C@@H](C)NCC(C)(C)CC#N)s1 414169496 RVLSSCQTZZBIPM-LLVKDONJSA-N 250.411 3.901 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 414173766 XIKBZWCXCGOCHQ-OAHLLOKOSA-N 287.363 3.502 30 20 CHED N#CC1(CC[S@](=O)c2ccccc2F)CCCCC1 414229878 FSIPZOLHCSNKCY-IBGZPJMESA-N 279.380 3.797 30 20 CHED Cc1cscc1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416110684 SSJDCBRQGMAUKM-MRXNPFEDSA-N 296.395 3.736 30 20 CHED N#Cc1ccc(OCCC2CCOCC2)c2ccccc12 419055200 NRIIMXPQGGDOEL-UHFFFAOYSA-N 281.355 3.907 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@H](Nc2ccccc2)C1 424743630 UACFAVMQGCDXSP-INIZCTEOSA-N 286.419 3.692 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CC1(C)C)c1ccccc1 426836496 LMFYIHVQBALONK-CABCVRRESA-N 257.377 3.509 30 20 CHED CC(C)c1ccc(C2(C(=O)NCCC#N)CCCC2)cc1 427607000 PYYULQICIQWROC-UHFFFAOYSA-N 284.403 3.652 30 20 CHED C=CCC[C@H](CC)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 429416561 IMZVALPYADAPLK-OKZBNKHCSA-N 291.410 3.626 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 430352149 HGKWTNFTLAVUIF-AWEZNQCLSA-N 296.361 3.927 30 20 CHED CCc1ccc([C@H]2CCN(c3ccc(C#N)nc3)C2)cc1 431484737 MQUSTNMJVNAESR-INIZCTEOSA-N 277.371 3.510 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnc([C@H](C)CC)nc1 434530536 NWOAGCJSWWKTLE-CHWSQXEVSA-N 290.411 3.856 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)cc(F)c2F)cc1 441587032 PPBSSUSIGDQNSP-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1ccc(NC(=O)C(C)C)cc1N[C@H]1CC[C@@H](C#N)C1 442868316 QGLGMZQNZNGHQE-KGLIPLIRSA-N 285.391 3.694 30 20 CHED Cc1ccc(OCc2ccccc2)c(NC(=O)[C@H](C)C#N)c1 443169490 QMOKKQCUVNTBES-CQSZACIVSA-N 294.354 3.672 30 20 CHED CCC1CCC(N(CCO)CCCCC(C)(C)C#N)CC1 444705661 MSWLGIXUDQEQAG-UHFFFAOYSA-N 294.483 3.970 30 20 CHED C=CCCCN[C@@H]1CC2(CCC2)Oc2ccccc21 448028568 OSXZBSOTLSCVSR-OAHLLOKOSA-N 257.377 3.989 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC[C@H]1c1ccccc1 448723505 IBBXJSSAAQSDMM-PVAVHDDUSA-N 284.403 3.578 30 20 CHED C=CCCCC[C@H](C)NC1CCC(COC)CC1 449245416 ASHLYOQZMBXWTI-FHERZECASA-N 253.430 3.916 30 20 CHED C=CCC1(C(=O)NCc2ccc(O)c(F)c2)CCCCC1 449915233 TUILMQIBFWIZHC-UHFFFAOYSA-N 291.366 3.674 30 20 CHED C[C@@H]1C[C@@H](CCNc2cccc(Cl)c2C#N)CCO1 450444356 XGJZYYUMFWZEQK-NEPJUHHUSA-N 278.783 3.829 30 20 CHED N#CC1(CN2CC[C@@](F)(c3cccc(Cl)c3)C2)CCC1 450934101 FJDYDTUUCHUYAS-INIZCTEOSA-N 292.785 3.904 30 20 CHED C=C(C)CCNC(=O)C[C@@H](CC)c1ccc(OC)cc1 452719649 UHDHGWBRERQKIT-CQSZACIVSA-N 275.392 3.661 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Cc1ccc(C)cc1 452777421 UVSPKEGREKTFGZ-CQSZACIVSA-N 259.393 3.502 30 20 CHED C=C(C)CCN[C@@H](CCCOC)c1ccc(F)cc1 453320139 OHPLLOABXUFLRN-INIZCTEOSA-N 265.372 3.849 30 20 CHED CC(C)(C)c1nc(C(=O)Nc2cccc(CC#N)c2)cs1 456734336 PEROJFWKPWFIJB-UHFFFAOYSA-N 299.399 3.759 30 20 CHED N#CCc1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 456738869 VEBJWNADXOLGHX-UHFFFAOYSA-N 290.366 3.884 30 20 CHED CC#CCN(C)C(=O)N[C@@H](c1ccccc1)C1CCCC1 457887916 RHSIXFVQKKUGSA-KRWDZBQOSA-N 284.403 3.583 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1[C@H](C)CCC 460934610 SXTSUQVDHLHNLO-HIFRSBDPSA-N 276.428 3.568 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1CCC 461988390 NGPPRFXFNHBANU-IAGOWNOFSA-N 271.404 3.680 30 20 CHED CC(C)[C@H](C#N)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 463825550 GAFJWHGASXXRNM-RDBSUJKOSA-N 264.413 3.503 30 20 CHED C=C1CCN(C(=O)[C@H](C)CCc2cccc(F)c2)CC1 463879286 PCGYKPRKYCCENF-CQSZACIVSA-N 275.367 3.573 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC2CCCC2)nc1 464443620 RTNZODSTMOYOTN-UHFFFAOYSA-N 286.375 3.535 30 20 CHED C=C[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 465108251 KQJNHZOHKTZNNW-SECBINFHSA-N 292.791 3.768 30 20 CHED CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc(C#N)cs1 470149154 PMGBCOHFPLLMLC-NSHDSACASA-N 288.338 3.783 30 20 CHED O=C(NCC#Cc1ccccc1)c1ccc2sccc2c1 471150835 IKXZBWSOTNTIJO-UHFFFAOYSA-N 291.375 3.683 30 20 CHED C=CCCCCNC(=O)[C@@H](SC)c1ccccc1 471705124 INOXLNYZKRWGFC-AWEZNQCLSA-N 263.406 3.563 30 20 CHED C=CCCCCNC(=O)c1cccc(C)c1Cl 471709303 NNORTFMTAICFCW-UHFFFAOYSA-N 251.757 3.735 30 20 CHED C=CCCCCNC(=O)c1cnc(C(C)(C)C)s1 471717186 QVABAKJWJGRKEG-UHFFFAOYSA-N 266.410 3.527 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 473572155 WRSQUMATZBVPBE-YQQAZPJKSA-N 281.440 3.546 30 20 CHED C=C(C)CNC(=O)CC(C)(C)Cc1ccc(Cl)cc1 474342991 SRZCSYSWRYPABN-UHFFFAOYSA-N 279.811 3.991 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2c(F)cc(F)cc2C1 483542298 IYXMWKSQVUCWTC-LBPRGKRZSA-N 298.336 3.956 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Oc1ccc(C#N)cc1 483922802 ZMDXPTUYBRACCZ-GFCCVEGCSA-N 282.299 3.915 30 20 CHED C[C@H](COc1cccc(F)c1)Nc1ccc(C#N)cc1F 485870344 OHRLUCVVYJYPPC-LLVKDONJSA-N 288.297 3.716 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCCC4(CC4)C3)c2c1 487755318 TXIMUTBXBYZIMA-UHFFFAOYSA-N 277.371 3.795 30 20 CHED CC(=O)c1ccc(OCc2cccc(F)c2C#N)cc1F 488225429 UJHNZIGIIQAJJK-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCOc1cc(C)cc(C)c1 488848611 CEYODOQSXQPLCK-INIZCTEOSA-N 287.403 3.639 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCC[C@@H](C)C1 490227179 MKDOQMOLFOUZAP-CABCVRRESA-N 275.392 3.663 30 20 CHED C=CCC(C)(C)C(=O)N1CC(C)(C)CC(C)(C)C1 500443419 UVYWGCJPFOCGSL-UHFFFAOYSA-N 251.414 3.873 30 20 CHED Cc1ccccc1[C@@H](C)NCCc1cccc(C#N)c1 503581079 JAPBDVZXXOVMBR-OAHLLOKOSA-N 264.372 3.760 30 20 CHED C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 503675108 ZWWXZYGVACWPLP-GFCCVEGCSA-N 298.773 3.745 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc(C#N)c1C 509433858 YYBTWEUVWUBSQM-SUMWQHHRSA-N 284.403 3.908 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(OCCC)cc1)OCC 510155268 YLGNNLXSFIGQSS-INIZCTEOSA-N 291.391 3.785 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 513146399 CYVJAHJEPAPQKG-OAHLLOKOSA-N 293.455 3.784 30 20 CHED C=C1CCN(Cc2ccc(Br)cc2)CC1 513449251 ZDEODTRMPSJPSE-UHFFFAOYSA-N 266.182 3.601 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc2c(s1)CCCCC2 528105931 HICLMVBGDQNUGO-UHFFFAOYSA-N 291.420 3.680 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 529120005 CAJHCJSYYWCQFK-SJORKVTESA-N 298.430 3.844 30 20 CHED C=C(C)CN1CCC(NCC2CCCCCC2)CC1 531250375 WMCDZMBGCKXSDL-UHFFFAOYSA-N 264.457 3.587 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)CCCC(C)C)OCC 535151391 KPZRBZFFZASUSR-CABCVRRESA-N 269.429 3.689 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 538302076 VVGLZBHCJSRFJN-HRCADAONSA-N 281.440 3.690 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)CCCC=C 540483175 YXNJQCQOUVNJRD-KBPBESRZSA-N 252.402 3.775 30 20 CHED C=CCC[C@@H](C)Nc1ccc(-n2nnnc2C(C)C)c(C)c1 542692649 DTQCQENIMFUUCA-CQSZACIVSA-N 299.422 3.861 30 20 CHED C[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CC(C)(C)C1 544116654 DUOGPIXXPJFMGG-ZIAGYGMSSA-N 256.393 3.987 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1ccc([N+](=O)[O-])c(C#N)c1 545916106 OGWLBZUKHKKKJP-INIZCTEOSA-N 293.326 3.874 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 547954555 ITOAETKQWLQWLE-XHDPSFHLSA-N 290.794 3.910 30 20 CHED Cc1cc(Nc2nnc(C)c(C)c2C#N)ccc1C1CC1 548447442 IDUAXUJWTSFBFS-UHFFFAOYSA-N 278.359 3.895 30 20 CHED Cc1ccc(C)c(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1 550352119 WWWVDJALEAPGPA-SFHVURJKSA-N 284.403 3.896 30 20 CHED Cc1cc(N2CC[C@H](c3ccccc3)[C@H](C)C2)cc(C#N)n1 553415789 YAHHOKNGZDXNRA-KUHUBIRLSA-N 291.398 3.892 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 553563714 LYRBNERZUWFEGD-CTYIDZIISA-N 283.762 3.965 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](CC2CC2)C1 555696751 DVRFQMIQCUYNGS-CJNGLKHVSA-N 254.377 3.741 30 20 CHED N#CCc1ccccc1NC(=O)Cc1cccc(C2CC2)c1 557011302 VKBGAHURBXLTBG-UHFFFAOYSA-N 290.366 3.811 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCCC2(CCCCC2)CC1 557011832 OEDIEDBGQBTOIC-INIZCTEOSA-N 276.424 3.889 30 20 CHED N#Cc1ccc(N(CCc2ccccc2)C2CCCC2)nc1 561782066 NSHAPKVEKKMUPR-UHFFFAOYSA-N 291.398 3.945 30 20 CHED C=CCCCCN1CCC[C@H](N2[C@@H](C)CC[C@H]2C)C1 562532476 KJHAIXDBKRJOLK-BBWFWOEESA-N 264.457 3.680 30 20 CHED C=CCC(C)(C)CNC(=O)N(Cc1ccccn1)C(C)C 563059215 CCMFWVBGZVFTHB-UHFFFAOYSA-N 289.423 3.604 30 20 CHED N#CC1(CNCc2ccc(C3CCCC3)cc2)CC1 565943209 JPZAQDAQRNRNKT-UHFFFAOYSA-N 254.377 3.738 30 20 CHED Cc1nnc(Sc2c(F)cc(F)cc2F)c(C#N)c1C 569031637 VUVIEXFFQYKHRU-UHFFFAOYSA-N 295.289 3.534 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccc(F)c(C#N)c1 570469399 BGZCNNKMMQLLBK-UHFFFAOYSA-N 291.329 3.522 30 20 CHED CCC[C@H](Cc1ccccc1)Nc1cc(C#N)ccn1 576727582 PFYJLGAHWCUSJV-MRXNPFEDSA-N 265.360 3.777 30 20 CHED C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cn1)C1CC1 577646697 TWKNUHUFFWAUAO-AWEZNQCLSA-N 277.371 3.679 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nnc(C)n1C1CC1 580086449 KETQOZBJCJCDNE-UHFFFAOYSA-N 282.391 3.504 30 20 CHED C=CCC1(CNC(=O)Nc2cnn(C(C)C)c2)CCCC1 582164642 KNHHWRKISLLENH-UHFFFAOYSA-N 290.411 3.722 30 20 CHED Cc1cccc([C@@H](c2noc(C(C)(C)C#N)n2)C(C)C)c1 583466995 HBSYJNHRTQTNIU-AWEZNQCLSA-N 283.375 3.967 30 20 CHED N#CCCCCCC(=O)Nc1ccc(Cl)c(C#N)c1 588150998 RAJHLQFRGUIICH-UHFFFAOYSA-N 275.739 3.624 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2ccc(C(F)F)cc2)o1 588461497 ROLAHDWEMZCLTD-UHFFFAOYSA-N 296.229 3.676 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1 588508780 VBPZLJXWZAVXIL-RQOWECAXSA-N 288.690 3.539 30 20 CHED N#CCCCCCC(=O)N[C@H](C1CCCC1)C(F)(F)F 588941023 BFEWSGOQPBMMLO-CYBMUJFWSA-N 290.329 3.698 30 20 CHED CSc1c(F)cc(NCC2(CC#N)CC2)cc1F 594703422 PDBVLVGBSHUOLN-UHFFFAOYSA-N 268.332 3.792 30 20 CHED COc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1C 595105983 PVYXXRALYMWBGA-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C[C@@H](CN(C)CCc1ccc(C#N)cc1)c1ccccc1 595306501 NFBISQUXAORKTR-INIZCTEOSA-N 278.399 3.836 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@]23CCC[C@@H]2C3)n1 596315671 FBUMIDXCNGWIPN-MLGOLLRUSA-N 255.365 3.605 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC[C@@H](CC#N)C3)c2c1 596325912 PLNDNFWTRCTSEV-AWEZNQCLSA-N 290.370 3.545 30 20 CHED N#CC1(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)CCCCC1 597035029 XXUXPIOCFJSRTB-ZIAGYGMSSA-N 274.408 3.545 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 597695720 XMSIXZQEWRFYIS-SHTZXODSSA-N 276.424 3.601 30 20 CHED Cc1sc(NC(=O)CCCCCC#N)nc1C(C)C 597893660 FSNCERNEESKPSV-UHFFFAOYSA-N 279.409 3.988 30 20 CHED CCN(C(=O)[C@@H](C)c1ccc2ccccc2c1)[C@H](C)C#N 598359278 NGGKQMCPUZXZON-KGLIPLIRSA-N 280.371 3.704 30 20 CHED CC(C)CC1(NC(=O)c2cc(C#N)ccc2Cl)CC1 598404031 QEVMNPYQWYLYEP-UHFFFAOYSA-N 276.767 3.520 30 20 CHED CC1CC(CN[C@H]2CCCc3cc(C#N)ccc32)C1 598679311 FUAUDGGVFFDUSU-AJUCZRQESA-N 254.377 3.571 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1c(F)cccc1Cl 602431736 DRGTYNJJIRNZRY-NSHDSACASA-N 268.763 3.851 30 20 CHED COc1cc(C)c([C@@H](C)N(C)[C@@H](C)CC#N)cc1C 602460769 CCJGEBQJSWSROJ-UONOGXRCSA-N 260.381 3.607 30 20 CHED CC(=O)N(Cc1ccc(NC[C@H](C)CCC#N)cc1)C1CC1 602496140 BDUBZSJSQFAQFY-CQSZACIVSA-N 299.418 3.549 30 20 CHED CCN(CC)Cc1ccccc1CNC[C@H](C)CCC#N 602512692 MUGKBGWDGKDZRG-MRXNPFEDSA-N 287.451 3.558 30 20 CHED CC[C@@](C)(NC[C@H](C)CCC#N)c1nc(C)cs1 602545542 FFOSDVOWIFSDCJ-BXUZGUMPSA-N 265.426 3.606 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1ccc(Cl)cn1 603503431 TWZNTCZFNCHMOI-CYBMUJFWSA-N 274.776 3.962 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)N[C@H](C)c2cccc(C#N)c2)C1 610406598 FPFZZQOLVASRIU-CKEIUWERSA-N 299.418 3.839 30 20 CHED C[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)C1CCCC1 610521874 WRQGWKWLFXEKLF-GUYCJALGSA-N 276.424 3.791 30 20 CHED Cc1ccsc1CCCC(=O)N1CCC[C@@](C)(C#N)C1 612242195 AYCAZWFQDUXQOV-INIZCTEOSA-N 290.432 3.532 30 20 CHED C=CC[C@@H]1N(c2nnc(C)n2CC2CC2)CCCC1(C)C 612563193 YYTSPWUSDQWQEA-HNNXBMFYSA-N 288.439 3.568 30 20 CHED CC(C)(C#N)CN[C@H]1CC[C@@](C)(c2ccccc2)C1 615136329 JFGCXRWMNSWJSA-DOTOQJQBSA-N 256.393 3.636 30 20 CHED C=CCCNC(=O)[C@@H](CCC)c1ccc(Cl)cc1 617611549 CBJSWFGSKFOBNO-AWEZNQCLSA-N 265.784 3.916 30 20 CHED C[C@@H]1CCC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)[C@@H]1C 618807219 WGGUZNJENUGFEE-COCCGSRQSA-N 268.404 3.960 30 20 CHED CCCN(CC(C)C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618841944 DMOQWQNKTIXDRI-QGZVFWFLSA-N 299.418 3.623 30 20 CHED CCC(CC)CN(CCC#N)C(=O)N(C)C(C)(C)CC 619592178 YWRFXNVASQDAII-UHFFFAOYSA-N 281.444 3.879 30 20 CHED CCO[C@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)C1(C)C 619755325 XFKIEQZFENNXRC-CABCVRRESA-N 292.810 3.505 30 20 CHED C[C@H]1CCC[C@@H](C(=O)NCc2ccc(C#N)c(Cl)c2)C1 619768146 USMMHWDHNKYJLD-WCQYABFASA-N 290.794 3.654 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnc([C@H](C)OCC)s1 620858260 BMTFOARWJLASBQ-NSHDSACASA-N 296.436 3.715 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 641986408 IUDPFTMQXXBDSG-BBRMVZONSA-N 273.376 3.560 30 20 CHED C=C(C)CN(C)C(=O)c1c(C)ccc(Br)c1C 645965718 LKFPJRXHQWCVPU-UHFFFAOYSA-N 296.208 3.714 30 20 CHED C=CCN1CCC(NC(=O)CCC2CCCCCC2)CC1 654747582 IIMSLHPDRWIBSI-UHFFFAOYSA-N 292.467 3.504 30 20 CHED C=CC[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 661379142 UPVMNIFSFYRRQD-AWEZNQCLSA-N 283.375 3.525 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@H]1CCCC(F)(F)C1 664818177 DMNHOOSNFHVIPF-LBPRGKRZSA-N 288.382 3.856 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)c1ncccc1F)c1ccccc1 670378947 WVOQBRVIMUELOB-ZIAGYGMSSA-N 298.361 3.758 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 675934463 ZRNZYIVWIZETCU-WDEREUQCSA-N 273.298 3.853 30 20 CHED Cc1ccncc1[C@H](C)NCC#Cc1ccc(Cl)cc1 679941313 XALSEDXYLZYGSS-AWEZNQCLSA-N 284.790 3.746 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nn(-c2ccccc2)cc1C 682381236 UVCBDRYAJRUGPK-KRWDZBQOSA-N 283.375 3.722 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCc2c(F)cc(F)cc21 684891257 UIHWHJUJHZWECG-ABAIWWIYSA-N 251.320 3.896 30 20 CHED CC#CCCNC(=O)/C=C/c1cc(Cl)cc(Cl)c1 700592868 GCDHAQSQYJAFRH-AATRIKPKSA-N 282.170 3.536 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 714398252 XDNWOWJMHSXIPB-MFKMUULPSA-N 276.767 3.976 30 20 CHED CN(C)c1ccc(/C=C2\Cc3ccccc3C2=O)cc1F 727653723 YAYOQJJDQKTBQD-NTEUORMPSA-N 281.330 3.714 30 20 CHED C=CC[C@H](C)C(C)=NNC(=S)Nc1ccccc1OC 727777654 USPKLIZTOHJKIB-NSHDSACASA-N 291.420 3.570 30 20 CHED C#Cc1ccc(C(=O)N(c2cc(C)ccc2C)C(C)C)nc1 728821830 QMARIXTWDQEPQE-UHFFFAOYSA-N 292.382 3.735 30 20 CHED C=CCCOC(=O)COc1ccccc1[C@H](C)CC 729072805 XEFLCLKKBNEKND-CYBMUJFWSA-N 262.349 3.698 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C\c1ccccc1F 729445218 DXBZNGWWMAMOTN-KTKRTIGZSA-N 288.366 3.627 30 20 CHED C[C@@H](NC(=O)C(C)(C)C#N)c1csc2ccccc12 729961692 QSGRGJSJEZVLDQ-SNVBAGLBSA-N 272.373 3.628 30 20 CHED Cc1cccc(/C=C\C(=O)c2csc(C(=O)O)c2)c1 730149276 FIAOZCQBSPSQQL-WAYWQWQTSA-N 272.325 3.651 30 20 CHED C=C1CCN(C(=O)[C@H](OC2CCCC2)c2ccccc2)CC1 731052033 BLDQHGYJVZFDRW-GOSISDBHSA-N 299.414 3.866 30 20 CHED CC(=NNc1cccc2cnccc12)c1nccs1 732622430 RZODYTFJFKYGAR-UHFFFAOYSA-N 268.345 3.527 30 20 CHED CCCCCCCCCNC(=O)/C=C\C1CCOCC1 732657317 NDVMJUSMDFSJDQ-KTKRTIGZSA-N 281.440 3.836 30 20 CHED C=CC[C@@H](NC(=O)NC[C@@H](C)C(C)(C)C)c1ccncc1 734674597 XXZGKVSENYWMOD-UKRRQHHQSA-N 289.423 3.680 30 20 CHED COc1cccc(O)c1/C=N/CCc1cc2ccccc2o1 739426426 LVOVFWDUKUEDOT-XDHOZWIPSA-N 295.338 3.809 30 20 CHED C=CCOc1ccc(OC(=O)Cc2cccc(C)c2)cc1 742864077 HWDNEQNGIGNGSV-UHFFFAOYSA-N 282.339 3.708 30 20 CHED CC(=NN=Cc1csc2ccccc12)c1cnccn1 745200593 AFKIFCSVNBNMMA-UHFFFAOYSA-N 280.356 3.534 30 20 CHED CCOc1ccc(SCCCSCC#N)cc1 745974446 PSNRQZFKGWSSSG-UHFFFAOYSA-N 267.419 3.824 30 20 CHED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccc(C)o1 746498601 XUCBRKMTCIKDOJ-UHFFFAOYSA-N 286.335 3.581 30 20 CHED CC(C)(C)[C@H]1CCCC(=NNc2cnccn2)CC1 746565937 RRVFCDWHLJZCSG-LBPRGKRZSA-N 260.385 3.871 30 20 CHED CCCCC[C@H](C)CC(=O)N(CCC#N)CC(F)(F)F 748801365 AVEQMYRMKGQMLG-LBPRGKRZSA-N 292.345 3.897 30 20 CHED C=CCN1CCCN(C(=O)OC(C)(C)C)c2ccccc21 748820778 BNZXNQIWDIYKOK-UHFFFAOYSA-N 288.391 3.824 30 20 CHED C[C@@H](Cc1ccccc1)OC(=O)/C=C/c1ccccc1C#N 750410959 KNDJXUBJQFBMHN-RUMSDORHSA-N 291.350 3.746 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](CCC)c1ccc(F)cc1F 753180038 MKHSRRXPMUPUNO-IUODEOHRSA-N 294.345 3.517 30 20 CHED CCCCCCCCNC(=O)C[C@H]1CSCCS1 754843558 YQNVQRRHJMDFKQ-ZDUSSCGKSA-N 289.510 3.702 30 20 CHED CC[C@H](C)C=NNc1ccc([N+](=O)[O-])cc1Cl 755689238 NGBXRFKQOJOXCU-QMMMGPOBSA-N 255.705 3.692 30 20 CHED CC(CCc1ccccc1)=NNc1cc(C)ccn1 755902008 JLBNCGYEECDIQG-UHFFFAOYSA-N 253.349 3.811 30 20 CHED C#CC[C@@H](NC(=O)N(C)C1CCC(C)CC1)c1ccccc1 757772909 SSVGVQCJUVQLNG-VMWRSERWSA-N 298.430 3.971 30 20 CHED C#CCCCC(=O)Nc1ccc2oc(C)c(C)c2c1 758053921 FKUWXFPJAGLISL-UHFFFAOYSA-N 255.317 3.792 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ncc(C(F)(F)F)cc1Cl 758359756 RFTXCTANPBQHLD-RQJHMYQMSA-N 277.677 3.808 30 20 CHED CC[C@](C)(NC(=O)c1ccc(CC#N)cc1)c1ccccc1 759014636 SWOOWJXYZKEFHD-IBGZPJMESA-N 292.382 3.808 30 20 CHED COc1cccc2c1CCC2=NNc1cccc(C)c1 759646421 JYGMMXUADSJVIK-UHFFFAOYSA-N 266.344 3.766 30 20 CHED C#CCCCCCOC(=O)Cc1c(C)[nH]c2ccccc12 760275770 BQTFCMZTEWEALO-UHFFFAOYSA-N 283.371 3.756 30 20 CHED C=C(Cl)CS[C@@H](C)c1cn(-c2ccccc2)nn1 760301856 NZDINFRWRRZDDQ-NSHDSACASA-N 279.796 3.814 30 20 CHED CC(C)CC1CCN(C(=O)NCC#Cc2ccccc2)CC1 760723188 PDPFYTZGJWSKGI-UHFFFAOYSA-N 298.430 3.506 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1cccc(C#N)c1 761496506 XPFGVFPOYHJMCC-GFCCVEGCSA-N 259.349 3.674 30 20 CHED C#CCCCCc1nc([C@@H](C)c2ccccc2C)no1 762338028 ZFFYYRWQRXSBQA-AWEZNQCLSA-N 268.360 3.876 30 20 CHED CCOc1ccc(/C=N/[C@@H]2COc3ccc(C)cc32)c(O)c1 763098382 WQVSEIRETYNPOB-MWJIIQFGSA-N 297.354 3.652 30 20 CHED COc1ccsc1/C=C1/Cc2c(OC)cccc2C1=O 764441680 IUZQXODTTHSUMJ-KTKRTIGZSA-N 286.352 3.588 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1c(C)cccc1C 765980426 BNISHAMWOCMVTG-CABCVRRESA-N 276.376 3.889 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1cc(C#N)cc(Cl)n1 766030660 XJJDIIDELBNMIK-VIFPVBQESA-N 276.771 3.831 30 20 CHED C#CCCCCCC(=O)OCc1ccc(C)c(F)c1 766284052 NDTMXLOHFNDNOR-UHFFFAOYSA-N 262.324 3.761 30 20 CHED C[C@@H]1CSC(SCC#Cc2cccc(Cl)c2)=N1 766296541 GERLMDOUGWVBAV-SNVBAGLBSA-N 281.833 3.916 30 20 CHED C=C(CC)COC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 766784865 UCYQWAINIRWWJF-MNOVXSKESA-N 284.277 3.717 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(Cl)cn1 768718261 VPHBZSOFIGDCFZ-UHFFFAOYSA-N 280.755 3.612 30 20 CHED COC(=O)c1ccc(OCCCC(C)(C)C#N)cc1Cl 768808435 BUEGAQLYBAUGQT-UHFFFAOYSA-N 295.766 3.835 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cccc3nccn23)c1 769609452 JOEXHTXAJJCILS-MDZDMXLPSA-N 292.338 3.629 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N[C@H]1CCO[C@H](C)C1 769707074 VCCYVBIQPYWTQM-XHSDSOJGSA-N 298.471 3.850 30 20 CHED C[C@H](Cc1ccccc1Cl)N[C@H]1CC[C@@H](C#N)C1 770003928 MVFOQGUSCYRFRO-BZPMIXESSA-N 262.784 3.553 30 20 CHED C=CCCC(=O)OCC1CCC(C(F)(F)F)CC1 770360521 OKMDVMJSVHUXEU-UHFFFAOYSA-N 264.287 3.865 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccc(F)cc1C 773091482 QYHXPJHSFJDFNJ-UHFFFAOYSA-N 286.354 3.884 30 20 CHED C=C(CC)COC(=O)c1ccc(OCc2cccnc2)cc1 773480060 GQKAFEWWISXBCC-UHFFFAOYSA-N 297.354 3.784 30 20 CHED C=C(CC)COC(=O)c1cccc(Cn2nc(C)cc2C)c1 773504893 YVPXZVVPBGIHTA-UHFFFAOYSA-N 298.386 3.671 30 20 CHED CC(=NOC1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 774607816 IMNSEUGRWSMVQL-UHFFFAOYSA-N 282.727 3.931 30 20 CHED COc1ccc(N(C)Cc2ccc(C#N)c(C)c2)cc1F 775055948 HTGICHQTPCRZSS-UHFFFAOYSA-N 284.334 3.651 30 20 CHED CC(C)c1cnc(CN[C@@H](C)c2cccc(C#N)c2)o1 775337314 DDCPCCCCYWKBHW-LBPRGKRZSA-N 269.348 3.520 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 775542831 PWFAIXVJNDFJIJ-ZDUSSCGKSA-N 275.367 3.679 30 20 CHED C#CCCN(C)[C@@H](CC)Cc1ccccc1Br 775836421 HDZCNYIKDXUJNE-AWEZNQCLSA-N 294.236 3.725 30 20 CHED N#CCc1ccc(COC(=O)c2cccc3c2CCC3)cc1 776111233 CISSKUSUDDKCFO-UHFFFAOYSA-N 291.350 3.598 30 20 CHED CC#CCCNC(=O)N[C@H](C)c1csc2ccccc12 776136495 SVMUJWIYAHSWFX-GFCCVEGCSA-N 286.400 3.675 30 20 CHED CC(C)[C@H]1CC(=NNc2nc3ccccc3s2)CCO1 776758011 FKUNVZCDTRZXMZ-CYBMUJFWSA-N 289.404 3.899 30 20 CHED O=C(/C=C/c1cccc(Br)n1)c1ccccc1 777912179 SITQIAFSJANWSK-MDZDMXLPSA-N 288.144 3.740 30 20 CHED CC(C)[C@H](Cc1ccccc1)NCc1ccc(C#N)cc1 779005075 TWKZQPHNXFOLAY-IBGZPJMESA-N 278.399 3.915 30 20 CHED C[C@@H]1CN=C(NN=C2CCCCCCCCCCC2)N1 779791473 DDIZRYUMXFIXEO-CQSZACIVSA-N 278.444 3.584 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1ncncc1Cl 780282113 CPLSHIMDPNFLFL-QWRGUYRKSA-N 264.760 3.520 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)OC[C@@H](C)C#N)c1C 781516965 QGHPWCBUPGNXHW-NSHDSACASA-N 283.327 3.880 30 20 CHED C#CC[C@H](OC(=O)c1ccc(-c2cnco2)cc1)C(C)(C)C 781554558 DTSWUUUUGSPKHZ-INIZCTEOSA-N 297.354 3.936 30 20 CHED C[C@H](OC(=O)c1cc(C#N)cs1)c1ccc(Cl)cn1 781605308 BNGZSSVTABLPRD-QMMMGPOBSA-N 292.747 3.586 30 20 CHED Fc1ccccc1CCNN=Cc1sccc1Cl 782256430 WNELSORQMRETBO-UHFFFAOYSA-N 282.771 3.707 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1cc(F)ccc1O 782349402 XZDARIYJOHEPMS-AATRIKPKSA-N 289.331 3.761 30 20 CHED C=CCCN(OCc1ccccc1)c1cc(CC)nc(C)n1 782448354 DSATWTBNJVVZSN-UHFFFAOYSA-N 297.402 3.862 30 20 CHED C[C@@]1(c2ccccc2)CC[C@@H](NCc2ccc(C#N)cn2)C1 783294285 NOSUMOKEAAOWPN-IEBWSBKVSA-N 291.398 3.553 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1cnc2ccccc2n1 783838989 AQEOZHAUMCANGT-NEPJUHHUSA-N 268.364 3.854 30 20 CHED CC(C)(C#N)CCCOC(=O)CCc1ccc2[nH]ccc2c1 784561339 HAGIUTLNXUVVRY-UHFFFAOYSA-N 298.386 3.974 30 20 CHED COc1ccc(/C=C/C(=O)c2cncs2)c(Cl)c1 787168429 IHMXFBLOEKPJEV-HWKANZROSA-N 279.748 3.701 30 20 CHED CCc1cccc(Cl)c1/C=C\C(=O)c1cnn(C)c1C 788732441 PXZKORNEOAUZRD-HJWRWDBZSA-N 288.778 3.840 30 20 CHED Cc1ccc(C=NNCc2cccc(Cl)c2Cl)cn1 790181406 PVTIOCKUXVWVDG-UHFFFAOYSA-N 294.185 3.821 30 20 CHED CC(=NNc1nccn1C)c1cccc(Cl)c1Cl 790305796 OEWSPJWWFQWABJ-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C=CCC1(C(=O)N[C@H](C)COc2ccc(C)cc2)CCC1 790521458 YEILZYOVBZWQOC-OAHLLOKOSA-N 287.403 3.625 30 20 CHED C#CCN(C)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 790958674 LSNXIKNKLVASAD-ZDUSSCGKSA-N 289.444 3.604 30 20 CHED c1ccc2c(NN=C3CCC4(CC3)CC4)nncc2c1 792631462 KHFGKIMKQQHJBS-UHFFFAOYSA-N 266.348 3.752 30 20 CHED CC(=NNc1ncncc1F)c1ccc(-c2ccccc2)o1 793217222 CJAUXRZYGQUBDX-UHFFFAOYSA-N 296.305 3.712 30 20 CHED CC(C)Cc1ccc(C=NNCCC(F)(F)F)cc1 794546114 QLGSEIKOVZTVFS-UHFFFAOYSA-N 272.314 3.761 30 20 CHED Fc1ccc(NN=C2CCC[C@@H]2c2ccccn2)cc1 794863007 XWFRTSHLRUPOJQ-CQSZACIVSA-N 269.323 3.956 30 20 CHED Fc1ccccc1NN=C1CCC[C@@H]1c1ccccn1 794887501 GKHZDWNPMRFSAV-GFCCVEGCSA-N 269.323 3.956 30 20 CHED Cc1cccnc1NN=C1CCC[C@H]1c1ccccn1 794940075 PZWGJVNJGYNHEF-ZDUSSCGKSA-N 266.348 3.521 30 20 CHED CC[C@H](SC)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567427 HUYRTJHTQCKDMR-ZJUUUORDSA-N 296.461 3.758 30 20 CHED C=CC[C@@H](OC(=O)c1cc(C#N)oc1C)c1ccccc1 797962376 XYDZGFHPVMCQKJ-MRXNPFEDSA-N 281.311 3.934 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(SC)s2)cn1 798230614 CIVVMOJOGBWEHX-GQCTYLIASA-N 278.402 3.583 30 20 CHED N#Cc1cc(NCc2cscn2)ccc1OC(F)(F)F 799346615 GUHHIMNKGKBSIB-UHFFFAOYSA-N 299.277 3.525 30 20 CHED C#CCCCNc1cccc(C[S@](=O)c2ccccc2)c1 799591485 OQFTXJZMXQFHDL-NRFANRHFSA-N 297.423 3.820 30 20 CHED Cc1nc(-c2ccc(C(=O)O[C@H](C)CC#N)cc2)cs1 799610395 ASQVGCDNCFLPLJ-SNVBAGLBSA-N 286.356 3.578 30 20 CHED c1cncc([C@@H]2CCCC(=NNC3CCCC3)C2)c1 799878757 XGGAIUZBTCUGIF-CYBMUJFWSA-N 257.381 3.627 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C#N)cc2)oc1C 799896614 JKIRWWZWSCIQMY-FPLPWBNLSA-N 251.285 3.664 30 20 CHED CC(C)(C#N)CCON=Cc1ccc(Cl)cc1 799961041 YSDQTTVTSKSXLZ-UHFFFAOYSA-N 250.729 3.630 30 20 CHED CC#CC(=O)NCc1ccc(C)cc1OCCCCCC 801166027 GPNANLFYWSCQOG-UHFFFAOYSA-N 287.403 3.594 30 20 CHED CC#CC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 801179609 XOGYIAGVLIXMCU-UHFFFAOYSA-N 255.361 3.607 30 20 CHED COc1ccc(Cl)cc1CSCCO[C@H](C)C#N 802749492 DYPIFIUNMYHGRS-SNVBAGLBSA-N 285.796 3.510 30 20 CHED C[C@H](C#N)OCCS[C@H](C)c1ccc(F)cc1F 802749790 NKPHCKSNAUPUCM-NXEZZACHSA-N 271.332 3.688 30 20 CHED C=CC[C@@H](C(=O)OCC(=O)CC(C)(C)C)c1ccccc1 805533526 NFQHSKMNPKGAEN-MRXNPFEDSA-N 288.387 3.895 30 20 CHED O=C(/C=C\c1c[nH]c(C(F)(F)F)c1)c1ccc(O)cc1 806565430 NLHFLAQTHUCQML-BHQIHCQQSA-N 281.233 3.635 30 20 CHED N#Cc1cccc(SCc2csc(Cl)n2)c1 806590971 UUUJPSOOKOKDBR-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C)c1ccccc1C)C(C)(C)C 807881913 FUHDJOJWEVXXMD-GDBMZVCRSA-N 271.404 3.653 30 20 CHED CC(=NN[C@@H]1CCSC1)c1ccc2ccccc2c1 808003510 ZMQWQDFUVSZOCT-MRXNPFEDSA-N 270.401 3.659 30 20 CHED C#Cc1ccc(CNc2ccc(Cl)cc2OC)cc1 809643371 SUXVXYUFLCJHJX-UHFFFAOYSA-N 271.747 3.942 30 20 CHED C#CCCOc1ccc(CN2CCCc3occc3C2)cc1 809792452 WNMQPONTFPQXOZ-UHFFFAOYSA-N 295.382 3.630 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](CC)C1CCCCC1 810306151 BQDURNZFLYAHAC-SFHVURJKSA-N 283.415 3.686 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H]1CCC[C@H](C(C)C)C1 810347795 BMEBFYBUWIUFEG-WMZOPIPTSA-N 283.415 3.541 30 20 CHED C=CCCCCOC(=O)c1ccc([N+](=O)[O-])cc1Cl 811011363 UBLSVVYHRPDTEA-UHFFFAOYSA-N 283.711 3.761 30 20 CHED N#C[C@@H](OC(=O)[C@H]1CCCCCC(=O)C1)C1CCCCC1 811381350 PKLJUJQIKHULKC-GOEBONIOSA-N 291.391 3.542 30 20 CHED CON=C1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 811638503 PXEHDEVRHLLLKR-OCCSQVGLSA-N 296.411 3.579 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1cscc1Cl 811666267 BFYZZTOFRRUUBN-LLVKDONJSA-N 294.807 3.793 30 20 CHED COCc1ccccc1/C=C(\C)C=NOC1CCC1 814229067 QIOVVXAUWBTCHP-JXRKRAMUSA-N 259.349 3.791 30 20 CHED FC(F)Oc1cccc(Cl)c1C=NOCC1CC1 814241044 CLXZUOSOGYOTCL-UHFFFAOYSA-N 275.682 3.702 30 20 CHED C=CCC(C)(C)CNc1nnc(C)cc1C(F)(F)F 814369454 JFDVSAWTBPWDFA-UHFFFAOYSA-N 273.302 3.818 30 20 CHED Clc1cccc(NN=Cc2ccc3oncc3c2)c1 814693365 LLYWNIYHEHJPKM-UHFFFAOYSA-N 271.707 3.927 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(c3ccc(F)cc3)CC2)C1 815060380 SSOSYIVLRJHTHM-DYVFJYSZSA-N 272.367 3.697 30 20 CHED C[C@H](NN=C1CCC(C(F)F)CC1)c1ccncc1 819815769 CSQYKTQHYHNLCW-NUHJPDEHSA-N 267.323 3.544 30 20 CHED CCCCOc1ccccc1C=NN[C@H](C)c1ccncc1 819817169 XAPSXPANSACFLX-OAHLLOKOSA-N 297.402 3.945 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H](C)CC)c1ccc(Cl)cc1F 820738171 UAUULDOGJUIAQW-IINYFYTJSA-N 296.773 3.593 30 20 CHED N#C[C@]1(C(=O)Oc2ccc(Cl)cc2)CC12CCCC2 822246065 XMPAJARHBRQLED-HNNXBMFYSA-N 275.735 3.719 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C/C(Cl)=C/Cl 823617435 JEPQNMXTVIQKFS-BNDQCTAISA-N 269.175 3.870 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)OCCCCC#N 830097946 NJZGPHZVRQEKSZ-AWEZNQCLSA-N 251.370 3.996 30 20 CHED CC(C)C[C@H](C)OC(=O)NC1(c2cccc(C#N)c2)CC1 830924263 XDZLGOQJDQAXJR-ZDUSSCGKSA-N 286.375 3.708 30 20 CHED CC(C)(C)C[C@H](Sc1ccccc1C#N)C(=O)O 833428878 BBJBSUUHQDEYDF-LBPRGKRZSA-N 263.362 3.540 30 20 CHED C=CCNN=C1CC(c2ccc(Br)cc2F)C1 834977160 HOTBQADDBAVELE-UHFFFAOYSA-N 297.171 3.597 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1sccc1O 835019730 GEGHXIUZLDPKLE-ZDUSSCGKSA-N 290.363 3.594 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ncc(F)cc2F)C1 835022437 KCIVQTXREPDLCG-NXEZZACHSA-N 253.296 3.584 30 20 CHED CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(C)cs1 835034324 ADYPIIQIMNPTSK-VXGBXAGGSA-N 264.394 3.700 30 20 CHED CC/C(C)=C\C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 835454804 JAECBFFDIRMIKC-DHHDDZJSSA-N 282.265 3.633 30 20 CHED CCCCN(C(=O)C#CC1CC1)[C@H](C)c1ccc(C)o1 837375654 JBOCFYJZXKLFHD-CQSZACIVSA-N 273.376 3.691 30 20 CHED C#CCC[C@@H](C)OC(=O)Cc1ccccc1C(F)(F)F 839038169 FZRGUUZLJKEGEZ-LLVKDONJSA-N 284.277 3.593 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(Cl)cc2F)C1 839042610 FRUFNFSGFNJPPX-ONGXEEELSA-N 281.714 3.718 30 20 CHED C/C=C/C=C\C(=O)Nc1scc(C(C)(C)C)c1C#N 839370093 SHBSEBMJQXAQQS-MDAAKZFYSA-N 274.389 3.988 30 20 CHED CCOc1cccc(/C=N/[C@@H](C)c2cncc(F)c2)c1O 840711328 QAFRHKLOSYXHSV-LOMXTUQMSA-N 288.322 3.505 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cc2c(cc1O)CCCC2 840786771 DEMKHEHEORTXFU-ZDUSSCGKSA-N 286.419 3.861 30 20 CHED CC(=NOC/C=C\Cl)[C@@H]1C[C@H]1c1cccs1 841639758 VBPXESZXAJWKDP-VFLJRHGUSA-N 255.770 3.997 30 20 CHED C=CCNC(=N)NCc1ccccc1Oc1cccc(C)c1 849076561 LJGGHYXPLUGTNC-UHFFFAOYSA-N 295.386 3.587 30 20 CHED C=CCCNCc1cc(C)c(OCc2ccccn2)c(C)c1 850354753 YADDRYPJFUJUSY-UHFFFAOYSA-N 296.414 3.943 30 20 CHED C#C[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccccc1 851036174 GEHKRWLJEVCHSL-INIZCTEOSA-N 281.355 3.768 30 20 CHED CC(CC(C)(C)C#N)=NNC(=S)Nc1ccccc1C 853263880 GBNQDSPKNXUAGM-UHFFFAOYSA-N 288.420 3.597 30 20 CHED C#CC1CCC(=NNc2ccc(OC(F)F)cc2)CC1 853299570 SSNGRNKQIXMLDT-UHFFFAOYSA-N 278.302 3.879 30 20 CHED COc1ccc(C=NN2CCCC[C@@H]2C)cc1Cl 853380140 OFFSWRPGEMLYQG-NSHDSACASA-N 266.772 3.557 30 20 CHED C=CCCONC(=O)c1ccc(C)c(Cl)c1Cl 856036212 VUZFLOJYSVDYSC-UHFFFAOYSA-N 274.147 3.539 30 20 CHED C#CC[C@@H](CCOC)Nc1nc(-c2ccccc2)cs1 858856154 RAKSXCDFOAQQHI-AWEZNQCLSA-N 286.400 3.650 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H](C)c1ccco1 860683476 AJBRZUZHKARISS-CHWSQXEVSA-N 298.342 3.703 30 20 CHED CCCCCCCC(=O)OCc1cccc([N+](=O)[O-])c1 866460771 MDWRBPBLWYGAHS-UHFFFAOYSA-N 279.336 3.999 30 20 CHED CCCN(CCC)CC[C@](C#N)(C(C)=O)c1ccccc1 877960724 AENXTOAMOCQHDA-SFHVURJKSA-N 286.419 3.549 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2ccon2)c1 887103065 MUDXJCKXLICVNO-UHFFFAOYSA-N 270.332 3.882 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@H](C(F)(F)F)C1)c1ccccc1 888017122 GXWRHNLLPWOHSE-UONOGXRCSA-N 297.320 3.757 30 20 CHED C=CCCCCCN(C)C(=O)Cc1sc(C)nc1C 889113082 KQGICOSEJYSPHT-UHFFFAOYSA-N 280.437 3.507 30 20 CHED C=CC1(OC(=O)CCCCC(=O)c2ccc(F)cc2)CC1 893363550 CNCSYQBRKSVYQO-UHFFFAOYSA-N 290.334 3.831 30 20 CHED N#C[C@@H]1CCCN(c2nc(-c3ccc(F)cc3)cs2)C1 895658078 CMYNTFPWVUADSG-NSHDSACASA-N 287.363 3.689 30 20 CHED C=C1CC(c2noc(C[C@@H](C)c3ccccc3)n2)C1 896882541 UYHUOCQWCAYKQJ-GFCCVEGCSA-N 254.333 3.849 30 20 CHED C=C(C)C[C@H](N[C@@H]1CCC[C@H](CC(C)C)C1)C(=O)O 901682508 UXZPMRFNDBSFTL-KFWWJZLASA-N 267.413 3.600 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ncc(Br)cc1C 903988311 YPAGRBPKGZEXDB-JTQLQIEISA-N 297.196 3.693 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1nsc2ccccc12 906023057 JDBQQJOUIWBROL-LLVKDONJSA-N 274.389 3.861 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 914909013 QRPJUZSLFKRBGD-NSHDSACASA-N 282.343 3.506 30 20 CHED S=C(NN=Cc1ccsc1)Nc1cccc(Cl)c1 916285392 IKHGYIVMIWAKHW-UHFFFAOYSA-N 295.820 3.722 30 20 CHED N#C[C@H](C(=O)CC1CC1)c1nc2cc(Cl)ccc2s1 917047074 QNZKYDJQEWNWSK-SNVBAGLBSA-N 290.775 3.926 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)C(C)C 917658954 IWIXAPRWKULSBA-CYBMUJFWSA-N 295.810 3.839 30 20 CHED Cc1ccc(NCCCOc2ccc(C#N)cc2)c(F)c1 917803218 VXBIEWMUDQCOJE-UHFFFAOYSA-N 284.334 3.887 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)c1ccc(C)s1 920175430 WQUNNLHYWPSGLS-LKBVRNOZSA-N 275.373 3.951 30 20 CHED CCCCNN=Cc1ccc2c(c1)CCC(C)(C)O2 920373535 CQRCCELHQUWRRN-UHFFFAOYSA-N 260.381 3.514 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(F)c(F)c1 920384144 QIIFNQIEFWJVEG-UHFFFAOYSA-N 264.250 3.940 30 20 CHED C#CCCN[C@@H](c1ccc(F)cc1)c1cccs1 920416059 QSEIYLVBEUIOOF-HNNXBMFYSA-N 259.349 3.590 30 20 CHED COc1cccc(O)c1C=NNc1cccc(Cl)c1F 921137959 WKRJTBBPEOSROX-UHFFFAOYSA-N 294.713 3.639 30 20 CHED C[C@H](CC(C)(C)C#N)NCC1(c2ccc(F)cc2)CC1 924697585 QZVXAUHBJVBSES-CYBMUJFWSA-N 274.383 3.775 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1coc2ccccc12 925416599 JSDKLTFRIOBRFH-GFCCVEGCSA-N 256.349 3.851 30 20 CHED C[C@@H](C1CC1)n1cc(N[C@H](C)CC(C)(C)C#N)cn1 926222144 SWSPVZUJAGZFAX-NEPJUHHUSA-N 260.385 3.594 30 20 CHED C/C(=C/C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1Cl 928225039 WLJNEHFDSBBDBL-SUIFULHWSA-N 288.778 3.505 30 20 CHED C=C(C)CCC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 1120690287 NGDAPJVTZOQSKK-OAHLLOKOSA-N 293.794 3.596 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1cccc(C#N)c1 1124203489 HIFXIZKUIBXPHQ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C[C@H]1CCC[C@H]1CNc1nc(C#N)c(Cl)s1 1163145499 PLKNQADVPALPRY-YUMQZZPRSA-N 255.774 3.516 30 20 CHED N#Cc1cc(Cl)ccc1SCc1nccs1 1165763793 GCCXOUBWSXIPDT-UHFFFAOYSA-N 266.778 3.960 30 20 CHED Cc1ccnc(N[C@@H]2C[C@@H]2C2CCCCC2)c1C#N 1185555710 WQQLPMPXIRFMHB-UKRRQHHQSA-N 255.365 3.642 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CC[C@@H](C)[C@H](C)C1 1205347404 NHBCJPUPJCXKBG-YRGRVCCFSA-N 258.365 3.803 30 20 CHED N#Cc1ccnc(CN2CCC[C@@H]2c2ccc(F)cc2F)c1 1232480280 RRUXYFLFTATBSR-QGZVFWFLSA-N 299.324 3.569 30 20 CHED Cc1sccc1NC(=O)N[C@H](C)c1cccc(C#N)c1 1311100520 YRJMPIOIGZQKPE-SNVBAGLBSA-N 285.372 3.811 30 20 CHED CCc1cccc(NC(=O)CON=Cc2ccccc2C)c1 1317701799 VSGCEFXQAKFFIA-UHFFFAOYSA-N 296.370 3.547 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H]2CCCC[C@H]2C1 1319164850 UGUATLDBUKTMBO-ZBFHGGJFSA-N 261.409 3.794 30 20 CHED C=CCCOCCCCc1nnc(-c2cccc(C#N)c2)o1 1327303683 DYKXLCZNARGJRO-UHFFFAOYSA-N 297.358 3.524 30 20 CHED C=C(C)CCC(=O)Nc1ccn(C2CCCCC2)n1 1337234319 HYVDAYKTXFQWDQ-UHFFFAOYSA-N 261.369 3.683 30 20 CHED C[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1 1345980620 BGFBQTSKIXMZEN-DOMZBBRYSA-N 269.300 3.581 30 20 CHED C=CC(C)(C)c1nnc(-c2cc3c(s2)CCC3)o1 1349964945 PCVGQWPGISQLMW-UHFFFAOYSA-N 260.362 3.750 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1ccc(CC#N)cc1 1355888746 OGYQJZZYUVEJDG-AWEZNQCLSA-N 278.355 3.803 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OCC(F)F)cc1 1358011238 OMRLLOZGGFTONP-UHFFFAOYSA-N 269.291 3.625 30 20 CHED CSc1ccc(CCNc2cc(C)c(C#N)cn2)cc1 1458346443 BWTRIZQWQNWNMW-UHFFFAOYSA-N 283.400 3.638 30 20 CHED CCc1ccc2c(c1)CCN(Cc1cccc(C#N)c1)C2 1473900638 DWJRYXXAMVCKRB-UHFFFAOYSA-N 276.383 3.679 30 20 CHED CC[C@H](OC1CCCC1)C(=O)O[C@@H](CC#N)c1ccco1 1520425066 HIZVWIYNPLPGDI-ZFWWWQNUSA-N 291.347 3.515 30 20 CHED C=C(CC)C(=O)Nc1cccc(Cl)c1OCCOCC 1527617527 APKLWIFGPQMLOV-UHFFFAOYSA-N 297.782 3.660 30 20 CHED Cc1cccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1F 1529379713 FDDSBDXQLHRSNQ-CYBMUJFWSA-N 296.345 3.839 30 20 CHED N#Cc1cccc(NC(=O)c2cccc3cc(O)ccc23)c1 1540288039 VZJSRKDRLQLJSO-UHFFFAOYSA-N 288.306 3.669 30 20 CHED Cc1cnc(OC(C)C)c(NC[C@H](C)CCC#N)c1 1560849272 SOFVEOXHSSXNTQ-GFCCVEGCSA-N 261.369 3.529 30 20 CHED C=C[C@H](C(=O)O)N1CCCc2cc(-c3ccccc3)ccc21 1588663587 OEDJMIIBUVTPEP-QGZVFWFLSA-N 293.366 3.745 30 20 CHED C=CCN(Cc1cc(C(=O)O)c(C)[nH]1)CC1CCCCC1 1588829411 ZZYMKBKTBBIFCM-UHFFFAOYSA-N 290.407 3.590 30 20 CHED CCCCCCCC[C@@H](C)C(=O)N[C@@H]1CC=C(C(=O)O)C1 1595705054 OVLWSEINKILLMR-UKRRQHHQSA-N 295.423 3.663 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 1602869298 CJRRQQSMMAUVCJ-LSDHHAIUSA-N 295.423 3.520 30 20 CHED CC1(C)CCC(Sc2ccc(C(=O)O)nc2C#N)CC1 1604526323 YXXQOHZEEDPSRN-UHFFFAOYSA-N 290.388 3.712 30 20 CHED Cc1cccc(C#N)c1SCC1(C(=O)O)CCCC1 1607838912 YCGMVFRNMRVCBH-UHFFFAOYSA-N 275.373 3.604 30 20 CHED N#Cc1ccc(CN2CCCc3cc(F)c(F)cc32)s1 1615945553 YVSMXNQYMGMSAU-UHFFFAOYSA-N 290.338 3.851 30 20 CHED N#Cc1ccc2c(c1)N(CCc1ccc(Cl)cc1)CC2 1616942240 IHHCNKSCPWHCOG-UHFFFAOYSA-N 282.774 3.817 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1C#N 1629742910 QICMKRCECSCSBL-ZFWWWQNUSA-N 288.366 3.642 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(F)c1C#N 1636705911 RVUCDCDKBZNVFK-STQMWFEESA-N 288.366 3.644 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1Cc1cc(C#N)ccc1OC 1641833725 QXMFHFAOMIMOLR-PBHICJAKSA-N 286.419 3.967 30 20 CHED N#Cc1cnc(N2CC[C@@H]2c2ccc(F)cc2)c(Cl)c1 1642911464 LNZFMNRLNUJKPW-CQSZACIVSA-N 287.725 3.697 30 20 CHED COc1cc(CSc2cc(C#N)ccn2)ccc1C 1656220863 YJAZFIIPXKUTTA-UHFFFAOYSA-N 270.357 3.563 30 20 CHED C[C@@H]1Cc2cc(CN(C)Cc3ccc(C#N)cc3)ccc2O1 1657420901 JAGUREBYJLSXAE-CQSZACIVSA-N 292.382 3.514 30 20 CHED Cc1cc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1C#N 1659194768 WBXJQMUIPKDAEE-QGTPRVQTSA-N 268.404 3.877 30 20 CHED O/C(=N\c1cc(F)cc(F)c1)c1cnc2ccccc2n1 8328389 FMDVUEVIKDCUQE-UHFFFAOYSA-N 285.253 3.544 30 20 CHED N#CCOc1cccc(CNC2CCCCCCC2)c1 37199258 IBNDYFCDVBEQTG-UHFFFAOYSA-N 272.392 3.791 30 20 CHED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCC1 43996623 VIZZLRVWIQPEDF-UHFFFAOYSA-N 296.395 3.776 30 20 CHED CCc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 51637670 WHMUMVONPRFBLS-UHFFFAOYSA-N 268.291 3.512 30 20 CHED N#Cc1ccc(OCCN2CCC[C@H]2c2ccccc2)cc1 54993490 VWKQJNGMISTSEI-IBGZPJMESA-N 292.382 3.774 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C/c1cccc(F)c1 63960411 QPJWRXXOZRYZSF-BQYQJAHWSA-N 280.302 3.658 30 20 CHED C[C@@H](CC#N)N[C@H](C)c1ccc(OC(F)(F)F)cc1 68482341 OPSYVKRUZKUWJA-VHSXEESVSA-N 272.270 3.538 30 20 CHED CCN(CCCSCC#N)c1cc(C)ccc1C 72515109 NUDRDXZWVVUREW-UHFFFAOYSA-N 262.422 3.777 30 20 CHED Cc1ccc([C@H]2CCCN2CCCSCC#N)cc1 74980396 ONFDRPXPVAQYSE-MRXNPFEDSA-N 274.433 3.779 30 20 CHED CC[C@H](C#N)OC(=O)CCCCCc1cccs1 84697733 RHOLSLLEHRCEEF-GFCCVEGCSA-N 265.378 3.696 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 84710982 AEUDSSBHXLCYTM-MFKMUULPSA-N 299.292 3.729 30 20 CHED COc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 90339737 PUXZUOUMTHLLAY-UONOGXRCSA-N 280.371 3.979 30 20 CHED CCN(Cc1ccc(-c2ccccc2)o1)C[C@@H](C)C#N 91982237 KEKVODRWGHVFBR-AWEZNQCLSA-N 268.360 3.928 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnn(C(C)(C)C)c1 93101062 CEMYWNUWVULDOW-UHFFFAOYSA-N 290.455 3.790 30 20 CHED CC1(C)CCC[C@H]1NC1CC(C#N)(c2ccccc2)C1 94321536 HGCVNYDKRFELRF-UPTPFMHGSA-N 268.404 3.779 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(OC(F)F)cc1 97112479 FKEYJLNNGAJHOT-FPLPWBNLSA-N 292.285 3.524 30 20 CHED C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)[C@H](C)CC#N 103443692 POWJBXMRQGEDAO-GHMZBOCLSA-N 296.823 3.581 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CC=CCC1 104544211 BTKWVTTYMDOBSH-HNNXBMFYSA-N 262.397 3.521 30 20 CHED N#CCCCCN1CCc2[nH]c3ccc(Cl)cc3c2C1 104724915 ZLZOAWOWTPAWPQ-UHFFFAOYSA-N 287.794 3.873 30 20 CHED CCCCCCCC(=O)NCCc1c(F)cccc1F 105213357 BBONCGCOBGUZFP-UHFFFAOYSA-N 283.362 3.984 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)CCC2CC2)c1 115060095 VUQAIOAMOIYXMJ-UHFFFAOYSA-N 293.366 3.984 30 20 CHED CCCCCCCN1Cc2ccccc2[C@@H](C(=O)O)C1 116029068 DTJRSLOCUJEMIZ-INIZCTEOSA-N 275.392 3.641 30 20 CHED C#CCCCCC(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl 119889744 DHHGERUPLNQVFW-RISCZKNCSA-N 293.769 3.645 30 20 CHED CCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)NC2 121770489 RYIGMIPWPLTGFL-UHFFFAOYSA-N 288.391 3.619 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1C#N 124617803 IZLKSIAOUJZGQH-MFKMUULPSA-N 298.308 3.947 30 20 CHED CC(C)(C)OCCSCc1cc(F)ccc1C#N 125415821 IALOHCSRSIIJRR-UHFFFAOYSA-N 267.369 3.746 30 20 CHED C=C(Cl)CN1C[C@@H](CC)N(CC(=C)Cl)C[C@H]1CC 125453113 RITGXVUDRXODOM-ZIAGYGMSSA-N 291.266 3.666 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 125612372 YUEYTGINHDUQNW-LBPRGKRZSA-N 287.325 3.949 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)c2ccc(Cl)s2)C1 125740591 XJMPOAKENMYCTI-JVVWGOMOSA-N 282.796 3.519 30 20 CHED C#CC[C@@H](OC(=O)c1cncc(-c2ccccc2)c1)C1CC1 126190419 RLKVHSUGLUMZAL-GOSISDBHSA-N 291.350 3.707 30 20 CHED CC1(C)C[C@@H]1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 128451516 GUGGPGLOVOWMGE-BXKDBHETSA-N 297.185 3.720 30 20 CHED CCOC(=O)Nc1ccc(NC(CC)CC)cc1C#N 132889813 RETOYBBOSXXSDC-UHFFFAOYSA-N 275.352 3.727 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccccc2)cc1 152949731 KJRWPEAFYDVBLC-HNNXBMFYSA-N 265.356 3.549 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](C#N)C(C)(C)C 155280352 IJCKIAIRLXRRII-SMDDNHRTSA-N 292.810 3.573 30 20 CHED CCC(C)(C)[C@@H]1CCCN1CCCSCC#N 156834395 AJUNPIGSRGRTHW-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED N#Cc1ccc(OC(=O)c2cccc(Cl)c2F)c(F)c1 157988253 QMGKJPCMUIATEX-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C=CCN(C)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 161822638 MZAGWRSYWLHITI-ZDUSSCGKSA-N 283.371 3.596 30 20 CHED CCCCCCCCCC(=O)N1CCCO[C@@H](C)C1 171262733 UENHNEWEAAUYKI-HNNXBMFYSA-N 269.429 3.765 30 20 CHED CC(C)(C)CN(CCC#N)CCCOc1ccc(C#N)cc1 171939883 GSLXZWORUHAHFI-UHFFFAOYSA-N 299.418 3.589 30 20 CHED CC1(C)CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 172798224 MLMLVSHEITZMBU-CMDGGOBGSA-N 282.387 3.610 30 20 CHED C=CCOc1ccc(OC(=O)c2cccnc2Cl)cc1 173522458 HTOVEYMTNKSTOH-UHFFFAOYSA-N 289.718 3.519 30 20 CHED CCCC[C@H](CCC)NC(=O)Cc1ccc(C#N)cc1 177291001 UDAYMHMYPYPWOE-INIZCTEOSA-N 272.392 3.576 30 20 CHED C=C(C)CSCC(=O)N[C@@H](c1ccccc1)C(C)C 177863820 CSJDEYGANMAYQY-MRXNPFEDSA-N 277.433 3.809 30 20 CHED C=C(C)CS[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 177864236 SHSJZEVHHGLHMV-KGLIPLIRSA-N 277.433 3.604 30 20 CHED Cc1cnc(CSCCOc2ccccc2C#N)s1 179988844 DONCFYLIAJAFRT-UHFFFAOYSA-N 290.413 3.635 30 20 CHED CC(C)(C#N)COC(=O)c1cc(Oc2ccccc2)ccn1 180144260 CXXQOCZMDFKKJE-UHFFFAOYSA-N 296.326 3.580 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C 181398836 KDTGFNYPMUZISG-LBPRGKRZSA-N 297.830 3.565 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)c2ccccc2c1O 183059934 KDVIHLGTRUJGRD-UHFFFAOYSA-N 289.762 3.847 30 20 CHED C=C(C)[C@@H](NC(=O)N[C@H](C)CC)c1ccc(F)c(F)c1 187044137 OUVNMIQVIPLQNW-QMTHXVAHSA-N 282.334 3.680 30 20 CHED C=CCNC(=O)c1ccccc1NCc1cc(F)ccc1C 187254840 OWULLBRFJIAISH-UHFFFAOYSA-N 298.361 3.662 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2occ(C)c2c1 187948239 GGOLPBKQLISBHS-UHFFFAOYSA-N 270.332 3.947 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccc(C)cc2)CCC1 188114347 PDFKJDIMKNSBOD-AWEZNQCLSA-N 257.377 3.919 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(F)c(F)c1 190068645 PPEHGEXVOCNNIQ-OAHLLOKOSA-N 267.319 3.526 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cc(C)oc2C)CCC1 190418135 XIFHTUGXBDBBOE-LBPRGKRZSA-N 261.365 3.820 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1cc2ccccc2o1 191059581 YSGXEWDWHATRHZ-CYBMUJFWSA-N 284.359 3.877 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](SC)C2)CCC1 191891528 MMUVDTKAIXPNCT-OLZOCXBDSA-N 267.438 3.523 30 20 CHED N#CCc1cccc(C(=O)N2CCSc3ccccc32)c1 192478335 DAULWHBTFHFDCT-UHFFFAOYSA-N 294.379 3.505 30 20 CHED Cn1cc(CCN[C@@H]2CCC[C@H](C#N)C2)c2ccc(F)cc21 193299441 HPTYFIOMTGZTMW-XJKSGUPXSA-N 299.393 3.532 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCC[C@H](C)C1 194585047 HQQWGOVJJVVAAF-SWLSCSKDSA-N 285.391 3.909 30 20 CHED O=C(/C=C/c1c(Cl)nc2ccccn12)c1ccsc1 194615852 SXFHWLMUBSGTOC-SNAWJCMRSA-N 288.759 3.945 30 20 CHED C=CCN(CCc1ccccc1)Cc1nccn1C(F)F 195195926 HJNBEVANUZQPQU-UHFFFAOYSA-N 291.345 3.509 30 20 CHED CC1(COc2ccc(-c3ccc(C#N)cc3)cc2)COC1 213500110 RPPTTXOWSJNHOB-UHFFFAOYSA-N 279.339 3.641 30 20 CHED N#Cc1cccc(OCCOc2c(F)cccc2Cl)c1 215503403 NRKLJTJEKBDQHV-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C=CCCOCCN[C@@H](CC(C)C)c1ccccc1 222441335 PMZZSRWOJRDBAM-KRWDZBQOSA-N 261.409 3.956 30 20 CHED N#Cc1ccc(CNc2ccc3ncsc3c2)c(F)c1 226364784 GUQGISVPITZFCU-UHFFFAOYSA-N 283.331 3.919 30 20 CHED CSC(C)(C)CNc1ccc(C#N)c(Br)c1 228195557 WKFGHHXIIDNRQJ-UHFFFAOYSA-N 299.237 3.874 30 20 CHED N#Cc1ccc(OC[C@@H]2CCC3(CCCC3)O2)cc1F 229497908 KCLABGKMVTZXJE-AWEZNQCLSA-N 275.323 3.568 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]1C(=O)OC(C)(C)C 232555748 KZZWEEXMOLFHRB-CQSZACIVSA-N 294.439 3.513 30 20 CHED COc1cc(CN(C)Cc2ccccc2C)ccc1C#N 234929474 DOJAXVLPIDQSMF-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C[C@H]1OCC[C@H]1Sc1ccc(C#N)c(Br)c1 235664499 TYGZKMLEMWICFU-PRHODGIISA-N 298.205 3.590 30 20 CHED CC(C)(C#N)CCCN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 253087708 DKMFTAIMPUPYBH-GVDBMIGSSA-N 292.467 3.722 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC[C@H](C)C2)cc1 254492188 FGHBFLJBDNXLIJ-LBPRGKRZSA-N 275.421 3.848 30 20 CHED N#Cc1ccc(Cl)cc1N1CCCC2(CCOCC2)C1 266293286 WZJIHQUSJGROAL-UHFFFAOYSA-N 290.794 3.609 30 20 CHED C=CCSCCNC(=O)Nc1cc(SC)ccc1C 272048906 FTUULIBAPYRPQO-UHFFFAOYSA-N 296.461 3.758 30 20 CHED N#CCCN(CCC#N)Cc1c(Cl)oc2ccccc12 272417896 MRADJQFKYASBPA-UHFFFAOYSA-N 287.750 3.716 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ncc(-c2ccccc2)o1 274416477 HYLHSVFBAVNOIT-GUTXKFCHSA-N 281.359 3.684 30 20 CHED C=CCCN(C)C(=O)Nc1c(C)cccc1Cl 276015470 BGJSOKXHBFBNJG-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cc(C)ccc2F)no1 278306558 XWBWXETUJKQFRX-LLVKDONJSA-N 276.311 3.838 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(CCCCC#N)C2)cc1 278688684 PMHPHRWWIQXWDJ-DOTOQJQBSA-N 256.393 3.867 30 20 CHED C=CCC[C@@H](NCCc1c(C)noc1C)c1ccco1 279093458 UNWLBAYOABUKLA-OAHLLOKOSA-N 274.364 3.724 30 20 CHED C=CCC[C@@H](C(=O)NCc1ncc(CC)o1)c1ccccc1 281558767 LAINFHFSTMCYIA-MRXNPFEDSA-N 298.386 3.603 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(C(C)C)nc2)no1 289135324 RPDJDUCXAMPILS-UHFFFAOYSA-N 269.348 3.556 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1ccc(CC#N)cc1 289534778 OTYHEWXDJWYOEU-CYBMUJFWSA-N 273.380 3.795 30 20 CHED COc1cc(Cl)c(NC(=O)C2(C#N)CCCC2)cc1C 290246537 XISXAKXKFITJOH-UHFFFAOYSA-N 292.766 3.680 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@H]1c1cc(C)ccc1C 290370638 LZOYYRACUOGYIN-KRWDZBQOSA-N 296.418 3.731 30 20 CHED CCc1cc(C#N)c(NC(=O)C(CC)CC)s1 291619852 ZTYWKNITTRRFPX-UHFFFAOYSA-N 250.367 3.557 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C)nsc1C 292955939 YVCSSAZRNCYIOP-UHFFFAOYSA-N 266.410 3.578 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(OC)c(C)cc1C 293559593 HXJKXNNMYLUDPY-UHFFFAOYSA-N 261.365 3.853 30 20 CHED C[C@H](Cc1ccc(O)cc1)N[C@@H](CCC#N)c1ccccc1 293660708 PNQWQRLJAUQYDZ-BEFAXECRSA-N 294.398 3.958 30 20 CHED C[C@H](CCNC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 294555099 MXKDZOSXEZEOSI-BEFAXECRSA-N 296.414 3.770 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H](c1ccccc1)C1CC1 295276414 IBVCNZKTQPCELU-HNNXBMFYSA-N 257.377 3.509 30 20 CHED C=CCN(C(=O)CCc1ccc2ccccc2c1O)C1CC1 297606454 VGEVRWQLNZXMOR-UHFFFAOYSA-N 295.382 3.655 30 20 CHED CC(C)Oc1cccc([C@@H](C)N[C@@H](C)CCC#N)c1 299184673 ADMAEIOPKAIQRR-UONOGXRCSA-N 260.381 3.817 30 20 CHED N#CC1(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CCC1 299504106 KXYCKAGUHHIWBE-NSCUHMNNSA-N 295.169 3.569 30 20 CHED C[C@@H]1CC[C@@H](Nc2nc(Cl)c(C#N)s2)C[C@H]1C 300143718 WRAGAWWYIQQRRE-IWSPIJDZSA-N 269.801 3.905 30 20 CHED CC(C)N(CCCNc1ccc(C#N)cc1F)C(C)C 301444443 QFVJFIAFTFADEW-UHFFFAOYSA-N 277.387 3.618 30 20 CHED CC(C)CN1CC[C@H](CNc2ccc(C#N)c(Cl)c2)C1 301613518 TYJWXJNVNNJJJQ-CYBMUJFWSA-N 291.826 3.601 30 20 CHED N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H]2OCC[C@H]12 301650473 JJUXOBYOJBRPDF-UMVBOHGHSA-N 276.767 3.581 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(c2ccc(F)cc2C#N)C1 302160961 YINWCAWIZWLMHC-SJKOYZFVSA-N 281.334 3.680 30 20 CHED CCc1ccc(N/C(N)=N/CC2(c3ccccc3)CC2)cc1 303791375 XLCHABWTGGZSTF-UHFFFAOYSA-N 293.414 3.707 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@@H](C)C1 303838471 HYSTWPKWTAQRTD-GDBMZVCRSA-N 287.378 3.614 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(C)c1ccccc1C#N 308088550 NGEOFMIEHHSOFH-AWEZNQCLSA-N 272.392 3.983 30 20 CHED Cc1nc(N2CC[C@@H]3CCCC[C@@H]3C2)c(Cl)cc1C#N 312296138 AGLGYTQVFBDMOM-QWHCGFSZSA-N 289.810 3.932 30 20 CHED O/C(CC1CCCCCC1)=N/Cc1noc(C2CC2)n1 328955207 NDWWKYGMTUJJIW-UHFFFAOYSA-N 277.368 3.764 30 20 CHED CC(C)(C)C[C@@H](CO)/N=C(/O)c1csc(C(C)(C)C)n1 330630646 DGKWZFQWNVPBJX-JTQLQIEISA-N 298.452 3.542 30 20 CHED C[C@@H](C#N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 334394796 BBMFOJAVJMMFBX-DTWKUNHWSA-N 285.174 3.672 30 20 CHED Cc1ccc(F)c(C(=O)Nc2scc(C)c2C#N)c1F 335135285 JMAAVIMPWQDKQG-UHFFFAOYSA-N 292.310 3.767 30 20 CHED Cc1nc(-c2cccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)c2)cs1 336234197 ICXVDZNJCBEGEZ-MGPLVRAMSA-N 297.383 3.607 30 20 CHED N#Cc1ccc(CNc2cccc(-c3ncco3)c2)c(F)c1 338270161 MCAVFJWDFXIBGK-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CC(C)CC1(CNC(=O)c2ccc(CC#N)cc2)CCC1 340309742 WDKLWHKBCQRANP-UHFFFAOYSA-N 284.403 3.699 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CCCC)c1ccccc1 341883798 VLCVOHSXDVLASF-WBVHZDCISA-N 261.409 3.692 30 20 CHED C=C(C)COc1cc(CN[C@@H]2CC[C@H](F)C2)ccc1OC 342273622 GOIJOVSCTBTBJD-LSDHHAIUSA-N 293.382 3.630 30 20 CHED CC/C=C\CCSCC(=O)Nc1ccc(C#N)cc1 342740071 YPLSXOWOADDZPF-ARJAWSKDSA-N 274.389 3.586 30 20 CHED C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1CC#N 344325250 AKAIDVINYKDCJI-ZDUSSCGKSA-N 296.395 3.872 30 20 CHED C=C[C@@H](CC(=O)N(C)c1ccc(C)cn1)c1ccccc1 346159815 DFMBJEQZTCGUAO-HNNXBMFYSA-N 280.371 3.713 30 20 CHED COC1CCC(CCNc2ncc(C#N)cc2Cl)CC1 347868919 ANIJITKMTYURED-UHFFFAOYSA-N 293.798 3.614 30 20 CHED COc1cccc(Cl)c1/C=C\c1ccncc1C#N 349105652 GYOFOPHFDIQXEQ-WAYWQWQTSA-N 270.719 3.786 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCc2sccc21 349930725 FSLHURKFQVIPHS-DGCLKSJQSA-N 278.421 3.779 30 20 CHED N#CC1(CN2CCC[C@@H](c3ccc(F)cc3)CC2)CC1 351199083 HGLGQIWHZZKVIJ-CQSZACIVSA-N 272.367 3.699 30 20 CHED C=CCN(CCc1ccccc1)Cc1sc(C)nc1C 352756133 BISPXSFPGPOXOA-UHFFFAOYSA-N 286.444 3.991 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCCc3ccccc32)CC1 353310252 YAWFKWGEPMQASV-INIZCTEOSA-N 269.388 3.927 30 20 CHED C[C@@H]1CC[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 353594101 FVMSSDMIKDKVFY-SUYBPPKGSA-N 254.377 3.571 30 20 CHED CN(Cc1cnc(C2CCCC2)s1)CC(C)(C)C#N 354016835 DJARMNOTLNLRIL-UHFFFAOYSA-N 277.437 3.782 30 20 CHED N#Cc1ccc(/C=C/c2cc(O)cc(C(F)(F)F)c2)nc1 357128088 KRRDEDYDZQOVSF-HNQUOIGGSA-N 290.244 3.848 30 20 CHED C=CCC[C@H](NCCc1cscn1)c1ccccc1 358041549 DHDIWASKCOXPQS-INIZCTEOSA-N 272.417 3.983 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)Nc2cccc(C#N)c2)c1C 359079892 ODHAWKCDTUMEJJ-LLVKDONJSA-N 297.362 3.678 30 20 CHED Cc1ccc([C@@H]2CCN(c3cnccc3C#N)C2)c(C)c1 359875220 LBAPTVAPQIIABV-MRXNPFEDSA-N 277.371 3.564 30 20 CHED N#CCCCC(=O)N1CCC[C@H](CCCc2ccccc2)C1 360383142 WDIMXARJVWSDGP-SFHVURJKSA-N 298.430 3.942 30 20 CHED C=CC[C@@H](C)Nc1ncnc2ccc(SC)cc12 360902287 YTPNLJNQXIWEQY-SNVBAGLBSA-N 259.378 3.728 30 20 CHED C=CCC[C@@H](NC(=O)Nc1ccnc(C)n1)c1ccccc1 362042549 ZHNSCCNOWLLVEJ-OAHLLOKOSA-N 296.374 3.614 30 20 CHED CC(C)(CCC#N)CN1CC[C@@]2(CCc3ccccc3O2)C1 368223805 BPVYEULFYFVYKH-IBGZPJMESA-N 298.430 3.786 30 20 CHED C#CCCCC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 372952613 HCMKGQMLXUTMAF-HKUYNNGSSA-N 281.399 3.718 30 20 CHED CC(C)(C#N)CCCCN1CCOCC2(CCCC2)C1 373103978 KPYGNGBABRRXJX-UHFFFAOYSA-N 278.440 3.599 30 20 CHED N#CCCC1CCN(C(=O)CC2CCCCCC2)CC1 399372134 VTKDGLTVWRVSQT-UHFFFAOYSA-N 276.424 3.889 30 20 CHED N#Cc1ccc(OCCOC2CCC2)c2ccccc12 400763764 JQSRJIHHANRHHO-UHFFFAOYSA-N 267.328 3.659 30 20 CHED N#CC1(C(=O)Nc2ccc3c(c2)CCCCC3)CCC1 404686408 METKXLKWEDPOLP-UHFFFAOYSA-N 268.360 3.588 30 20 CHED COc1ccc(C2CCN([C@H](C)CCC#N)CC2)cc1 411307458 XUXYSWBQHFHFEI-CQSZACIVSA-N 272.392 3.567 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412362869 OFCCTOFWJLALDU-JKSUJKDBSA-N 298.430 3.850 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)C(C)(F)F 413837808 RIEMBHATKRKRII-GXTWGEPZSA-N 296.361 3.517 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)CSC 413984817 IYHHAYQLJADHDQ-HNNXBMFYSA-N 291.460 3.679 30 20 CHED Cc1ccc2ncc(C#N)c(OCCOCC3CCC3)c2c1 416920361 RKFVIZYHLZKJQC-UHFFFAOYSA-N 296.370 3.610 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)[C@@H]1C[C@H]1c1cccs1 417333508 QHQGWVVXSSYGTH-HNLJFRNMSA-N 291.460 3.811 30 20 CHED C=CCC1(C(=O)N(CC(C)=O)CC(C)C)CCCCC1 421925714 WVXWNXAJCSSLTI-UHFFFAOYSA-N 279.424 3.587 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(F)cc1F 424553549 AFJNMTCIMMBNRA-UHFFFAOYSA-N 267.319 3.526 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)C/C(C)=C\c1ccccc1 427224067 QOZDUXKQDRQBLK-UGEDRFTOSA-N 287.403 3.530 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CC1(C)CC1 429904206 SCTZSAXBTOJQJP-UHFFFAOYSA-N 271.364 3.509 30 20 CHED Cc1cc(CN2CC(C)(C)[C@@H]2c2cccnc2)ccc1C#N 430085771 BIPQMYKYQCKHKV-SFHVURJKSA-N 291.398 3.845 30 20 CHED N#Cc1ccc(SCc2cn[nH]c2)cc1C(F)(F)F 430148411 RUXYTWLGGSXPSM-UHFFFAOYSA-N 283.278 3.592 30 20 CHED C[C@]1(c2ccccc2)CC[C@H](NCC2(CC#N)CC2)C1 430741441 SWBKLXZIZXMNKL-IRXDYDNUSA-N 268.404 3.780 30 20 CHED Cc1c(C#N)cccc1NCC(=O)Nc1cccc(Cl)c1 431349298 LFWRXDAOJCXZOW-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(CC(C)C)cc1 435748918 HDSYKCWHMXSPBO-RTBURBONSA-N 287.447 3.956 30 20 CHED CC(C)[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 437400671 OHCMRBBTRCAGIL-CQSZACIVSA-N 294.345 3.780 30 20 CHED CC1=C(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCC1 438038940 OAKAOEIWTJSSGI-ROUUACIJSA-N 294.398 3.785 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@H]1CC 438591736 WZXLMKAZKBRNSV-ZYHUDNBSSA-N 298.839 3.898 30 20 CHED N#Cc1ccc(CN(Cc2ccccn2)C2CC2)c(Cl)c1 439439087 LGFDBEOMKRLFCY-UHFFFAOYSA-N 297.789 3.771 30 20 CHED C[C@H](Sc1ccccc1)C(=O)N(C)c1ccc(C#N)cc1 439937339 BTCYOPIUWYVZGB-ZDUSSCGKSA-N 296.395 3.702 30 20 CHED CC#CCCCC(=O)Nc1cc(Cl)cc(F)c1F 441570151 BUCLNXMGVMTUFX-UHFFFAOYSA-N 271.694 3.750 30 20 CHED Cc1csc([C@H](C)CNCc2ccc(C#N)c(C)c2)n1 444002951 QENGXLGOVKVNNS-GFCCVEGCSA-N 285.416 3.525 30 20 CHED C=CCC1(C(=O)NCC2(CCO)CCCCC2)CCCC1 450162795 LIADPSWSIXTEFF-UHFFFAOYSA-N 293.451 3.572 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1CCC[C@H]1c1ccccc1 452783132 LTYNEPSZKHLERG-HOTGVXAUSA-N 271.404 3.899 30 20 CHED N#CCc1cccc(NCc2noc(C3CCCCC3)n2)c1 453135552 AXDZUHXRBGKVAF-UHFFFAOYSA-N 296.374 3.795 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1oc2ccccc2c1C 453343365 FATLCAZYJQPCKA-YUELXQCFSA-N 271.360 3.735 30 20 CHED CC(C)CCn1cccc1CNCC(C)(C)CC#N 459726384 FKLHVPGGFJZLMW-UHFFFAOYSA-N 261.413 3.564 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)cc2OC)CCCC1 459826806 COOVWWCCPPHMGI-UHFFFAOYSA-N 289.375 3.779 30 20 CHED N#Cc1cc(F)ccc1COc1cccc2c1CCCC2=O 462637501 HUXCRARJXDEFBA-UHFFFAOYSA-N 295.313 3.795 30 20 CHED C=C[C@@H](C)NC(=O)NCC(c1ccccc1)c1ccccc1 464753933 RVKOOYMAWMIAHQ-OAHLLOKOSA-N 294.398 3.692 30 20 CHED C=C[C@@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1 465114188 LJQSUXZQOAEVOB-CQSZACIVSA-N 297.354 3.548 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 465166846 SGJAVZRBDYGIMU-CYBMUJFWSA-N 297.358 3.878 30 20 CHED CC1(C)CCC[C@@H](NCCc2cccc(C#N)c2)C1 466422280 KIBSMKPKSHJDBP-MRXNPFEDSA-N 256.393 3.659 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2c(Cl)cccc21 467320657 CFVHBVYNGAPQTK-UHFFFAOYSA-N 275.779 3.998 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(F)c(C#N)c1 468271856 QRMCJDYKKNAASE-IFIJOSMWSA-N 272.367 3.850 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1OCCC 470423388 AKPMCMXHXMNBRZ-NSHDSACASA-N 280.343 3.701 30 20 CHED CN(CCSc1cccc(C#N)c1)c1ccccc1 471246025 XGBLJJWAEUTNAK-UHFFFAOYSA-N 268.385 3.787 30 20 CHED C=C(C)COCCNC(=O)Nc1ccc(C(C)(C)C)cc1 474555879 FPSPJFONYHATFG-UHFFFAOYSA-N 290.407 3.698 30 20 CHED C=CCCCCCN(C)C(=O)C1(OC)CCCCC1 475511789 UFRDMRLBOAMACF-UHFFFAOYSA-N 267.413 3.541 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 476074538 VHLXNODERNKRID-LSDHHAIUSA-N 293.451 3.690 30 20 CHED C=C(C)[C@@H](NC(=O)N(C)CC(C)C)c1ccc(F)c(F)c1 477747762 VHFGAHNOOMKCEB-OAHLLOKOSA-N 296.361 3.879 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(C)c(O)c(C)c1 478805109 KGUPPENWRFTAHF-UHFFFAOYSA-N 291.391 3.711 30 20 CHED C=CCCC[C@@H](C)NCCCc1ccc2c(c1)CCO2 482227646 HLABFVWAQLTYGW-OAHLLOKOSA-N 273.420 3.889 30 20 CHED C=CCCCCNCc1cc(C(=O)OC)ccc1Cl 482236827 ILEIJYWZWKRXHM-UHFFFAOYSA-N 281.783 3.573 30 20 CHED CCc1cccc(NC(=O)N[C@@H](CC)CC#N)c1CC 487636166 CLGZGEZIGRFABQ-ZDUSSCGKSA-N 273.380 3.625 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1c(F)cccc1F 488823362 WVCFEAUDDAVRGS-UPJWGTAASA-N 291.341 3.635 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](C)c1cccs1 491181637 VBNWSOHHYNXVMC-AWEZNQCLSA-N 283.396 3.514 30 20 CHED CC(C)CC1(C)CCN(C(=O)C2(C#N)CCCC2)CC1 494750482 DMUOJZLXMOJUNI-UHFFFAOYSA-N 276.424 3.745 30 20 CHED C=C[C@H](C)ON=C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 496292576 ISOZBJSIQKRFGK-RDBSUJKOSA-N 296.411 3.599 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)CC(C)(C)C#N 498118669 XHZPOWJSLZRVDR-ZDUSSCGKSA-N 264.413 3.791 30 20 CHED Cc1ccc(C#N)c(NCC(C)(C)c2cccc(F)c2)n1 500291552 ZRPFTASFSXMKIC-UHFFFAOYSA-N 283.350 3.791 30 20 CHED CC(C)(C#N)CC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 503628525 NTCHGMGXOXJAQK-AWEZNQCLSA-N 298.430 3.898 30 20 CHED N#Cc1ccc(SCC2(O)CCCC2)c(Cl)c1 504530327 RZSPEVRWEJJGBF-UHFFFAOYSA-N 267.781 3.609 30 20 CHED Cc1cc(Cl)cc(C)c1CN(C)C[C@@H](C)C#N 509824994 CDLVRAFJTQXLTD-JTQLQIEISA-N 250.773 3.548 30 20 CHED N#CCc1ccc(CNC2(C(F)F)CCCCC2)cc1 510093689 KARNCCHOAMPVBJ-UHFFFAOYSA-N 278.346 3.810 30 20 CHED CCCC[C@H](CC)C(=O)NCC#Cc1cccc(F)c1 513197064 MSOSYXOEJWSUAD-HNNXBMFYSA-N 275.367 3.510 30 20 CHED C=CCN(CCc1ccccc1)c1ccnc(C(C)C)n1 520321321 KCURSXYTWZFQSU-UHFFFAOYSA-N 281.403 3.835 30 20 CHED N#CCCNc1cccc(C[S@@](=O)C2CCCCC2)c1 521427469 FFXHMPOFFMFDCV-HXUWFJFHSA-N 290.432 3.594 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 525706899 CVZJBPPEURUJEQ-GDBMZVCRSA-N 293.326 3.510 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)[C@@H]1CC12CC2 527878909 FWYYHESUWLHNKO-BBRMVZONSA-N 270.376 3.970 30 20 CHED N#CCC1CCN(C(=O)Nc2ccc3occc3c2)CC1 529277405 CBRQRGQEVLGQJZ-UHFFFAOYSA-N 283.331 3.590 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2cccc(C#N)c2)c1 533224380 YHIVKNDKPFBPBF-UHFFFAOYSA-N 278.355 3.746 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 533309346 LENSEEYCOHWFCZ-SQWLQELKSA-N 272.367 3.756 30 20 CHED CCC(CC)[C@H](C)C(=O)N(C)Cc1cccc(C#N)c1 534870866 LOJGOFUKXQFMNL-ZDUSSCGKSA-N 272.392 3.589 30 20 CHED COc1ccc2cc(CN(CCC#N)C(C)C)ccc2c1 535077302 WXUFAMCRHJNTSP-UHFFFAOYSA-N 282.387 3.972 30 20 CHED CN(CCCc1ccccc1)Cc1cccc(C#N)c1F 539235573 UPZNZACYFHZMPP-UHFFFAOYSA-N 282.362 3.762 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1ccc(C)cc1 539715715 PDTWNNFJZSLNPA-UKRRQHHQSA-N 260.381 3.710 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCCCC#N)cc1 543380165 RKNJWIBALXREKZ-SJORKVTESA-N 299.418 3.576 30 20 CHED C=CCCc1nc(Cc2cccc(C(F)(F)F)c2)no1 546260961 LMBNHCUBMLINFL-UHFFFAOYSA-N 282.265 3.798 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(Cl)cc1SCC 547303604 AADYKOQEGGYHFI-LLVKDONJSA-N 296.823 3.874 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 548290623 YGXVEKGEZTVGOU-RISCZKNCSA-N 290.794 3.910 30 20 CHED N#CCc1ccnc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 552329072 FNKLRCSHUHCTKW-OWCLPIDISA-N 297.402 3.693 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(OC)cc2F)n1 560023518 CFYMMSNUXMXDFE-UHFFFAOYSA-N 276.311 3.738 30 20 CHED N#Cc1ccc(Cl)c(C(=O)NCC23CCC(CC2)C3)c1 560605590 FKVSBVSEBRPVIE-UHFFFAOYSA-N 288.778 3.522 30 20 CHED C=C[C@H]1CCCCN1c1ccnc(C(F)(F)F)c1 561324912 MMWWXKRXLRFXKQ-JTQLQIEISA-N 256.271 3.645 30 20 CHED C=CCOc1cccc(CN[C@H](C)Cc2cccc(O)c2)c1 561467803 JOLRUSPRXQEDEM-OAHLLOKOSA-N 297.398 3.678 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1(OC)CCCC1 564624624 DYQZRMAHCZBLAA-UHFFFAOYSA-N 279.424 3.541 30 20 CHED Cc1ccc(C#N)c(Nc2cccc(N(C)C(C)C)c2)n1 568780056 IIGSMFUNJXGNGY-UHFFFAOYSA-N 280.375 3.850 30 20 CHED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)N1CCC(CCC#N)CC1 574152930 CXJADESNEYCGEP-RDJZCZTQSA-N 291.439 3.536 30 20 CHED COc1ccc(CN(C)C(C)(C)C)cc1OCCCC#N 584114280 UPJGXUDMNUONFC-UHFFFAOYSA-N 290.407 3.608 30 20 CHED C=Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2F)cc1 585740550 ZQXZUYODVWQADI-UHFFFAOYSA-N 280.302 3.617 30 20 CHED CC1(Cc2noc(CNc3ccc(C#N)cc3)n2)CCCC1 589156256 KTASMLAKOOTUDF-UHFFFAOYSA-N 296.374 3.676 30 20 CHED C[C@@H](CCC#N)N1CCC(OCC2CCCCC2)CC1 591015080 LGRAJNQQPXUIAX-HNNXBMFYSA-N 278.440 3.740 30 20 CHED Cc1ccc([C@@H]2C[C@H]2Nc2nc(C)ccc2C#N)cc1 591969747 UBMWUWVJSBIGPG-JKSUJKDBSA-N 263.344 3.538 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)N(CC#N)c1ccc(Cl)cc1 592653971 XENXLECMEFABPE-GOEBONIOSA-N 290.794 3.879 30 20 CHED C[C@@H](C#N)N(CCOc1ccc(Cl)cc1Cl)C1CC1 595719012 ZEPJFBWLXXAXMA-JTQLQIEISA-N 299.201 3.749 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2c(F)cccc2Cl)C1 596826935 FKVBDRQTHDJNHF-JTQLQIEISA-N 295.745 3.637 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc3c(c2)CCCC3)C1 597177456 MMVPNWJYPGKFGA-HNNXBMFYSA-N 268.404 3.691 30 20 CHED C=CCC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 598599631 CPSHLISQUPPQCG-IAGOWNOFSA-N 286.419 3.584 30 20 CHED Cc1ccc(CNc2ncccc2OCCCC#N)c(F)c1 601066761 OXOQYHZBSLMXCR-UHFFFAOYSA-N 299.349 3.824 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H]1c1ccc(F)cc1 602435116 QYODBNGRXAZBCX-CZUORRHYSA-N 260.356 3.902 30 20 CHED N#CCN(Cc1cccc2ncccc12)C1CCCC1 602479345 ZZYZDVNEWZUSAR-UHFFFAOYSA-N 265.360 3.503 30 20 CHED Cc1nc2ccc(NC[C@H](C)CCC#N)cc2s1 602519645 CMUQILAUXIMKFP-SNVBAGLBSA-N 259.378 3.957 30 20 CHED N#Cc1cccc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)n1 602644236 LFNGZXZCADAWKM-HOCLYGCPSA-N 295.361 3.518 30 20 CHED COc1ccccc1[C@H]1CCCN1CC1(CC#N)CC1 602772829 KZEPEZCSAKXRMD-OAHLLOKOSA-N 270.376 3.526 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 609252314 PNTISYMLFWDDPR-CQSZACIVSA-N 273.380 3.699 30 20 CHED CC[C@@H]1CCCN(c2ccc(Cl)c(C#N)n2)CC1 609765381 TUAZGLSWVAHMRL-LLVKDONJSA-N 263.772 3.623 30 20 CHED CCN(C(=O)[C@@H](C)c1ccco1)[C@@H](C)c1ccc(C#N)cc1 610171373 PMPXHGDOQDWFSJ-KBPBESRZSA-N 296.370 3.864 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(F)cc1C#N 610280238 JUPBXIHRNJDLQL-IRXDYDNUSA-N 266.319 3.839 30 20 CHED CC(C)CCN(C)Cc1ccc(C#N)cc1OC(F)F 610613484 BHCYJLZSPDUSCB-UHFFFAOYSA-N 282.334 3.638 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CC23CCCC3)c(Cl)c1 610896571 RIYHMYXURPWTOW-NSHDSACASA-N 274.751 3.730 30 20 CHED CCCN(CCC(C)(C)C#N)Cc1ccccc1F 611462496 ISZMEPILQRBBBV-UHFFFAOYSA-N 262.372 3.978 30 20 CHED Cc1cccc2c1CCCN2Cc1cc(C#N)cs1 611561094 GOIDQAMYQCYNKB-UHFFFAOYSA-N 268.385 3.881 30 20 CHED N#Cc1ccc(CNCc2ccc(F)cc2F)cc1Cl 619748721 MLMKUKBNWJMJLP-UHFFFAOYSA-N 292.716 3.780 30 20 CHED C=CCCCNC(=O)N[C@@H](CCc1ccccc1)C(F)F 623964614 MCSSRKFPLQIELR-AWEZNQCLSA-N 296.361 3.518 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OCCC)c(F)c1 627048639 IDMFLYGQQAJALA-UHFFFAOYSA-N 280.343 3.702 30 20 CHED C=CCC[C@H](CCC)N[C@H](c1cnn(C)c1)C(F)(F)F 628274051 NHTSHKYQPMFDHP-QWHCGFSZSA-N 289.345 3.748 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccnc(-c2ccccc2)c1 629439594 FIZHLESMQGUAPH-IBGZPJMESA-N 294.398 3.967 30 20 CHED C=CCCC(C)(C)NCc1nccn1-c1ccccc1 657804892 GJNMVNQXMKTVFQ-UHFFFAOYSA-N 269.392 3.707 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(C)nc(C)n1 660447180 PQSRROPJYDGKRN-UHFFFAOYSA-N 281.403 3.672 30 20 CHED C=CCCNC(=O)N1CCC[C@@H]1c1ccccc1Cl 661571915 BAOAWPAVSVTDHC-CQSZACIVSA-N 278.783 3.763 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1ccc(Cl)s1 663695012 JQLHIJBLNRUPPQ-UHFFFAOYSA-N 286.828 3.946 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC(C)C)cc1 684939507 PXNPQMMHGUOMIT-AWEZNQCLSA-N 261.365 3.558 30 20 CHED C=C[C@H](C)NC/C(C)=C\c1ccccc1OC(F)F 685618546 PCNLTYKRJSTROA-MMRAYRKESA-N 267.319 3.855 30 20 CHED COc1cccc(NN=Cc2ccc(Cl)cc2)c1 725853915 XGDDNANOIQJEKU-UHFFFAOYSA-N 260.724 3.795 30 20 CHED Cc1ccc(C(C)(C)C/N=C\c2cccc(O)c2O)cc1 728437792 INTNFFOVELIYOL-ODLFYWEKSA-N 283.371 3.803 30 20 CHED C#Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cn1 728796704 NSXZNCOBNNCKMZ-UHFFFAOYSA-N 291.137 3.622 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1CCc2ccccc21 731938520 UDCNPQQUUMPHOZ-QCUKBLKESA-N 251.329 3.541 30 20 CHED C=CCN(C(=O)[C@H](C)CSc1ccccc1)C(C)C 731968983 CKTBPVWGKPQYIJ-CQSZACIVSA-N 277.433 3.838 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)cn1 732714455 SVENRIAIEWTRFW-ZZXKWVIFSA-N 297.333 3.981 30 20 CHED Cc1ccc(NN=C(C(C)C)C2CCCCC2)nn1 733901061 ATRQJEPMBVTAEM-UHFFFAOYSA-N 260.385 3.789 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ccc(F)nc1 733922947 FXXQFQUHWKUBAB-CYBMUJFWSA-N 280.387 3.947 30 20 CHED C=CCCCOC(=O)CCc1cccc(Cl)c1 735526874 BRPPMQZIYCHWDR-UHFFFAOYSA-N 252.741 3.782 30 20 CHED C=CCCCOC(=O)C(C)(C)Oc1ccc(OCC)cc1 735531969 LCEJROFSTOXRPT-UHFFFAOYSA-N 292.375 3.752 30 20 CHED C=CCCCOC(=O)c1ccc(OCc2ccccc2)nc1 735534440 MMDXAOBNHOLAAK-UHFFFAOYSA-N 297.354 3.784 30 20 CHED Cc1cc(N=Cc2cccc(O)c2O)ccc1OC(C)C 741464626 QFKQZPFGHJDVHJ-UHFFFAOYSA-N 285.343 3.944 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1ccncc1 741692960 HKDFJFHHNKJBSN-BMFZPTHFSA-N 272.392 3.641 30 20 CHED C=C(C)CCOC(=O)c1ccc(F)c(C(F)(F)F)c1 744305053 MLDSDMLXGMCLES-UHFFFAOYSA-N 276.229 3.968 30 20 CHED CC#CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 744974416 HRKIEQQQTHMELK-NWDGAFQWSA-N 283.154 3.663 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cc3ccccc3o2)o1 745313293 KQKNASUQWWTDEK-SOFGYWHQSA-N 296.278 3.709 30 20 CHED CCc1ccc(C(C)=NNc2ncnc3sccc23)o1 752162990 LHTILKYRBWDNJC-UHFFFAOYSA-N 286.360 3.683 30 20 CHED C[C@@H]1CCC(=NNc2nccnc2Cl)c2ccccc21 752734399 PSNNRYRBEPMHAZ-SNVBAGLBSA-N 286.766 3.844 30 20 CHED Fc1ccc(CNN=Cc2cc(Cl)ccc2F)cc1F 753695817 BVBZEZSPNIXCST-UHFFFAOYSA-N 298.695 3.881 30 20 CHED CCCCCCC=NNc1nnc(-c2ccccc2)n1C 755648661 JGIVPHXQMFXCHD-UHFFFAOYSA-N 285.395 3.850 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccn1 756377169 ZKBHAWUENBCMKY-HRCADAONSA-N 298.386 3.603 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1cc(Cl)ccc1O 757469016 YEYMZXXNIZOJRK-ALCCZGGFSA-N 298.729 3.589 30 20 CHED N#Cc1ccc(N[C@H]2CC3(CCC3)Oc3ccccc32)nc1 757785587 DJQMGHIRWMNKGO-HNNXBMFYSA-N 291.354 3.812 30 20 CHED C#CCCCC(=O)O[C@H](C)c1cc(C)c(OC)cc1C 759194816 DZGOLTZEACAIOQ-CQSZACIVSA-N 274.360 3.720 30 20 CHED CCCCCCCCC(=O)NC1(CC)CCOCC1 761941858 RNXHFBWHWXRTHF-UHFFFAOYSA-N 269.429 3.812 30 20 CHED C#CCCCCCc1nc([C@@H]2CCc3ccccc32)no1 762069124 JAVKIUSMKUJOJA-MRXNPFEDSA-N 280.371 3.884 30 20 CHED COc1ccc(C(=O)/C=C\c2sccc2OC)cc1 764433870 HENIXBKMUUUGPH-FPLPWBNLSA-N 274.341 3.661 30 20 CHED C#CCCCCNC(=O)c1ccc(-c2ccco2)s1 765506708 PIHILIGBKFWXFY-UHFFFAOYSA-N 273.357 3.541 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc2c1CCCC2 767047286 SCEKGAUGTPXRRB-UHFFFAOYSA-N 255.361 3.553 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2nc3ccccc3n2C)C1 768360638 NVFLQHIKZKICPT-OLZOCXBDSA-N 270.380 3.797 30 20 CHED c1ccc([C@H]2CCC2=NNc2nc3ccccc3[nH]2)cc1 769763334 KUAHFQQXRIBQKK-CYBMUJFWSA-N 276.343 3.908 30 20 CHED CCn1nc(C=NNc2ncccc2Cl)c2ccccc21 769780384 OOFIIOKDXOENKY-UHFFFAOYSA-N 299.765 3.551 30 20 CHED Cc1cccc(F)c1NN=Cc1cc(C#N)cs1 769839802 GLDXCVZRTHSFNW-UHFFFAOYSA-N 259.309 3.513 30 20 CHED Cc1ccncc1[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 770745078 DKCAFZZCAOBCDL-LSDHHAIUSA-N 295.386 3.532 30 20 CHED C[C@H](C#N)CNN=Cc1ccc(N(C)c2ccccc2)cc1 771100077 ROWDZLDYLQJESO-OAHLLOKOSA-N 292.386 3.538 30 20 CHED C=CCC[C@@H](NC(=O)c1cccc(OC)n1)c1ccccc1 772170369 UMRMQIAITZLCHK-OAHLLOKOSA-N 296.370 3.528 30 20 CHED C#C[C@H](C)NC(=O)c1sc2cc(C)ccc2c1Cl 772974302 CLCKCGAMBUIQCU-VIFPVBQESA-N 277.776 3.615 30 20 CHED CC(C)c1nccnc1NN=C1C[C@H](C)C[C@@H](C)C1 773091512 RVFDVYDQKBFBIA-VXGBXAGGSA-N 260.385 3.824 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1cnc2ccccc2n1 773122650 BWXKTZATRWIXMG-MRXNPFEDSA-N 282.391 3.522 30 20 CHED C=CC[C@H]1N(Cc2cccc(OC)c2O)CCCC1(C)C 775179271 MJEZJKREFQXBEA-MRXNPFEDSA-N 289.419 3.968 30 20 CHED C=CCCOCCCCC(=O)O[C@@H]1CCC[C@H](C)C1 776083511 XGVUUDPDZPOARN-LSDHHAIUSA-N 268.397 3.871 30 20 CHED N#C[C@@H](OC(=O)c1ccccc1Cl)C1CCCCC1 776359417 JBUUPRVZYIPRAH-CQSZACIVSA-N 277.751 3.969 30 20 CHED CCC1CCC(N(C)C(=O)Cc2ccccc2CC#N)CC1 776798630 AWBXEAIWTYEJSM-UHFFFAOYSA-N 298.430 3.722 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1cnccc1C 777448076 LFNHBKSGWGCRQG-IBGZPJMESA-N 295.430 3.971 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(C)c([N+](=O)[O-])c1 777455209 ADHVWYLNAPINSX-UHFFFAOYSA-N 290.241 3.596 30 20 CHED C=CC[C@@H](C(=O)Nc1n[nH]c2ccccc12)c1ccccc1 778412997 DKMKKXYSILWQQF-CQSZACIVSA-N 291.354 3.861 30 20 CHED Cc1ccc(-c2c[nH]cc2C(=O)OCCCCC#N)s1 778431850 QWYRHUNRGVOKBC-UHFFFAOYSA-N 288.372 3.902 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1cncc(Cl)n1 779773403 OWUMKAAETZNTFH-SNVBAGLBSA-N 268.792 3.990 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2scnc2C)cc1C 783712358 GELZXMVMHAGLRW-WAYWQWQTSA-N 287.384 3.973 30 20 CHED C[C@@H]1C[C@@H](CCNc2nc3ccccc3cc2C#N)CCO1 784206703 RBCJVWCZNJIIJE-KGLIPLIRSA-N 295.386 3.724 30 20 CHED CC(=NNc1ccc(C)cc1)c1cnn(C(C)C)c1C 787145737 SHSIMHSPHDBGFF-UHFFFAOYSA-N 270.380 3.917 30 20 CHED C#CCC1(C(=O)OCc2ccccc2OC)CCCCC1 788213109 KRJJYOGKPXRKPA-UHFFFAOYSA-N 286.371 3.712 30 20 CHED COc1ccccc1C=NOCCCCOC(C)(C)C 788785148 SAANQAGCZXNCAM-UHFFFAOYSA-N 279.380 3.641 30 20 CHED C(=NNCCc1ccncc1)c1ccc(-c2ccccc2)o1 789094616 QLFRNYZJFVQHQS-UHFFFAOYSA-N 291.354 3.508 30 20 CHED Cc1cccc2c1OCC[C@@H]2OC(=O)c1ccc(C#N)cc1 789495635 AMIAXFXPZADYBB-INIZCTEOSA-N 293.322 3.547 30 20 CHED C=CCC1(C(=O)N(C)CCc2ccccc2F)CCC1 790620725 ZDGIRWYOZUSKSS-UHFFFAOYSA-N 275.367 3.573 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2OC(F)(F)F)no1 791433097 PNKNWZIRVGRBKM-VOTSOKGWSA-N 297.232 3.778 30 20 CHED C=CCOC(=O)c1cc(Cl)cc(F)c1Br 792699836 MXVYZPFNUIJTMB-UHFFFAOYSA-N 293.519 3.584 30 20 CHED CC[C@@H](C)CON=C1CCN(Cc2ccc(C#N)cc2)CC1 793144147 BYKDGKHLKBZHGY-OAHLLOKOSA-N 299.418 3.573 30 20 CHED Cc1ccc(C=NNc2cccc(Cl)n2)s1 793163027 VKUSQWASGNRMEB-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C=CCCCCC[C@@H](C)NC[C@](C)(O)c1ccco1 793531593 DESXQNLLZNFSFC-ZBFHGGJFSA-N 265.397 3.602 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2ccnn2C(C)C)cc1C 794944985 JEZXNDYEUDRCOB-VOTSOKGWSA-N 298.386 3.986 30 20 CHED Fc1cccc(NN=C/C=C\c2ccc(F)c(F)c2)n1 795008480 IDPZFRVJNMMKQB-QFNGTTPISA-N 277.249 3.610 30 20 CHED COCCCON=C1CCC[C@@H]1c1ccc(C)cc1 795048047 FHORKNBSMHRVFF-OAHLLOKOSA-N 261.365 3.672 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2/N=C\c2ccccc2O)cc1 797783985 JQZSQBWNJQDLRU-XXJCARGKSA-N 281.355 3.766 30 20 CHED C#C[C@H](NC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C)C(C)C 798555365 CPMLGVNOTWZINB-BQFCYCMXSA-N 298.430 3.540 30 20 CHED Cc1cc(C)cc(NC(=O)/C=C\c2ccccc2C#N)c1 799510701 PRZLLOULTHDLDF-FPLPWBNLSA-N 276.339 3.827 30 20 CHED C=C(Br)COC(=O)C(C1CCC1)C1CCC1 802792633 QFONBYLOVYPPDL-UHFFFAOYSA-N 287.197 3.655 30 20 CHED C/C=C(/C=C/C(=O)Nc1cc(C#N)ccc1NC1CC1)CC 803315036 MYLWWIKGDABFHJ-HGFFJGHSSA-N 295.386 3.984 30 20 CHED Cc1oc(C(C)C)nc1C(=O)OCCCC(C)(C)C#N 803909559 AANIPJRYSVHPTR-UHFFFAOYSA-N 278.352 3.593 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C(/C)C(C)(C)C 804835210 ZZYGGPXKOBPHIS-SQFISAMPSA-N 269.388 3.641 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)CCCCCC#N 805885594 ZPSNWMGNMKUTAZ-HZSPNIEDSA-N 251.370 3.828 30 20 CHED COCc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1 806576494 CPACNTJPQAHNGJ-JYRVWZFOSA-N 299.757 3.704 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1nccnc1C1CCC1 807992253 BOEQDZXQXOYOLF-JSGCOSHPSA-N 272.396 3.968 30 20 CHED C=C(C)CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 808789333 OXCACJLMQCBQPQ-ZWKOTPCHSA-N 267.372 3.627 30 20 CHED Cc1cc(OC(=O)CC2CCC2)c(C)c(C)c1C#N 809033953 NMLAIUZGJXSIIB-UHFFFAOYSA-N 257.333 3.579 30 20 CHED C#CCCCCCc1nc(CC2(C)CCCC2)no1 809535013 VTWFILXUZSBVOA-UHFFFAOYSA-N 260.381 3.929 30 20 CHED C#C[C@H](CC)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 809685691 LMCGENWHBBEHGN-SMDDNHRTSA-N 269.310 3.638 30 20 CHED CCCCCCC[C@@H](C)N[C@H](c1nncn1C)C(C)C 809691908 NYRVFRMMLVKJFH-CABCVRRESA-N 280.460 3.851 30 20 CHED C#Cc1ccccc1CC(=O)NC[C@H](CC)c1ccccc1 809965822 NZGPVVARWVKPHY-KRWDZBQOSA-N 291.394 3.520 30 20 CHED C=CCCCCCCCNCc1ncc(Cl)n1C 810160905 YFIYCFMCSSZYHN-UHFFFAOYSA-N 269.820 3.690 30 20 CHED C=CCCCCOC(=O)c1cncc(C(F)(F)F)c1 811009636 ZQKVHMOLBCGNIR-UHFFFAOYSA-N 273.254 3.614 30 20 CHED C#C[C@@H](NC(=O)N(C)C[C@H](C)CC)c1ccc(Cl)cc1 811959728 VJRBIZOZFPGOII-IUODEOHRSA-N 292.810 3.702 30 20 CHED CN(CCC#N)c1ccc(C=NNc2ccccc2F)cc1 812460975 ZAHGOMPVLFTBOA-UHFFFAOYSA-N 296.349 3.622 30 20 CHED Cc1csc(-c2cccc(OC(=O)CCCC#N)c2)n1 812961771 IPPBZCQZWWTIMC-UHFFFAOYSA-N 286.356 3.718 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1oc(C(C)C)nc1C 813319547 LAAXKSXJRKGNJS-OAHLLOKOSA-N 265.353 3.752 30 20 CHED COc1ccc(C(C)=NOCC2CC2)cc1Br 814241770 NWXRBESNPWWGOG-UHFFFAOYSA-N 298.180 3.608 30 20 CHED CCc1nc(C)c(C(C)=NOCCC2CC2)s1 814247084 PUAKXIDELDNBDO-UHFFFAOYSA-N 252.383 3.555 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1ccc(N)nc1 814913368 PFFSMWCRTNKEAV-UHFFFAOYSA-N 295.173 3.807 30 20 CHED C#CCCc1noc(-c2cc(Cl)c(F)cc2Cl)n1 815673896 GGDDNEPHHROWFH-UHFFFAOYSA-N 285.105 3.748 30 20 CHED CC1(COC(=O)/C=C\c2ccccc2C#N)C[C@@H]2C[C@H]2C1 816135008 PMUAAKIRNHBMQY-KQLNYGGHSA-N 281.355 3.551 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@@H](C)C1CCCCC1 816507777 RDGSBLKFAJSBCX-NSHDSACASA-N 259.340 3.625 30 20 CHED CC(=O)c1cc(C#N)ccc1NCC[C@H]1CC1(Cl)Cl 819073996 JZYDPBKXRCSPSV-NSHDSACASA-N 297.185 3.757 30 20 CHED COc1cccc(C=NOCc2ccc(C)cc2)c1OC 824177576 RXJCKPPBJFQBNQ-UHFFFAOYSA-N 285.343 3.563 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C#N)ccc1F 828454593 WGOKXTSAHGVVOP-UHFFFAOYSA-N 274.339 3.516 30 20 CHED COC(=O)c1cccc(NN=C2CCCC23CCC3)c1 834972721 FETXRRXSPKDURL-UHFFFAOYSA-N 272.348 3.595 30 20 CHED CCC(CC)Oc1ccc(C(=O)O[C@@H](C)CC#N)cc1 835158819 LMESBWYSYRTMFE-LBPRGKRZSA-N 275.348 3.713 30 20 CHED C=CC(C)(C)C(=O)OCc1cc2c(C)cccc2[nH]1 835207757 ZSWMTTJAMOBWJQ-UHFFFAOYSA-N 257.333 3.732 30 20 CHED C=CC(C)(C)C(=O)OCc1csc(C(C)(C)C)n1 835362139 LCLZBXKPLBZYQG-UHFFFAOYSA-N 267.394 3.696 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCCCCCC1)OCC 836925050 VGWAOLLJSXSNPB-OAHLLOKOSA-N 267.413 3.541 30 20 CHED CC(C)(C)C#CC(=O)NC(c1ccccc1)c1ccccc1 837320966 ZXQGLONNJYBPAE-UHFFFAOYSA-N 291.394 3.942 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 837596741 PHCUMVDVXKQGLS-ZWKOTPCHSA-N 291.394 3.861 30 20 CHED C#Cc1cccc(CNC(=O)N(C(CC)CC)C2CC2)c1 838724541 RKUVDVWYEGVASF-UHFFFAOYSA-N 284.403 3.531 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H](C)c1ccc(Cl)s1 839038662 YUTJFXNMIORKNQ-UWVGGRQHSA-N 270.781 3.850 30 20 CHED C#CCC[C@@H](C)OC(=O)C[C@H](C)c1ccccc1OC 839041706 XKWIGOSFEHEQJL-UONOGXRCSA-N 274.360 3.534 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cc(C)ccc1Br 839433726 MOWPWYQARGDSCY-CYBMUJFWSA-N 296.164 3.603 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2ccnc(Cl)c2c1 841364667 GQYMABWVUXLQCU-OAHLLOKOSA-N 287.750 3.767 30 20 CHED C=C(Cl)C[S@](=O)[C@H](C)c1ccc2c(c1)CCC2 841725457 KLSYDIBLSBUSDJ-DIFFPNOSSA-N 268.809 3.738 30 20 CHED CC1(C)C(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)C1(C)C 842940682 IINSEZSMZCJJDG-SNVBAGLBSA-N 288.416 3.879 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)c1ccc(F)cc1 843263353 BXZKWNFRKNLCAL-BQYQJAHWSA-N 272.323 3.574 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)/C=C/C1CCCC1 843609548 YTIGNAGQALQVFP-SXAWMYDMSA-N 294.398 3.798 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(N(C)CCCC)cc1 844532230 LRBGHYNHTYMSBV-ZDUSSCGKSA-N 291.395 3.551 30 20 CHED C=C[C@@H](C)ON=C(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 844621238 FBCMGZLOIBXVHJ-NWDGAFQWSA-N 276.336 3.740 30 20 CHED CCCN(CCC)c1ccc(NC(=O)C#CC2CC2)cc1 846481543 LDQHDAIVDWRGAB-UHFFFAOYSA-N 284.403 3.665 30 20 CHED CC[C@H](OC1CCCC1)C(=O)O[C@@H](C)CC(C)(C)C#N 851211011 XWXPKNDZSIIXBR-JSGCOSHPSA-N 281.396 3.596 30 20 CHED C=CC(C)(C)CCOC(=O)c1cccc(SC)n1 851301064 RSEGHSBXRCAFMP-UHFFFAOYSA-N 265.378 3.563 30 20 CHED C#CCCCCNC(=O)NCc1cc(Cl)cc(Cl)c1 852201638 JJUNAWITNSKOCG-UHFFFAOYSA-N 299.201 3.596 30 20 CHED Cc1cccnc1NN=Cc1cccc(OC2CC2)c1F 853337609 NWCJBWVQHDKSEL-UHFFFAOYSA-N 285.322 3.516 30 20 CHED CC(C)C#CC(=O)Nc1cccc(C2SCCS2)c1 854271411 FWKXVRDAADODRF-UHFFFAOYSA-N 291.441 3.763 30 20 CHED CSc1ccc(C=NNCC(F)(F)C(F)(F)F)cc1 863180716 IBMFDSAMKBNJAA-UHFFFAOYSA-N 298.280 3.530 30 20 CHED C=C1CCN(C(=O)Nc2cccc(C)c2Cl)CC1 864253100 NLBILJZUYYYKHU-UHFFFAOYSA-N 264.756 3.832 30 20 CHED CC[C@@H](NCC[C@H](O)C1CCCC1)c1ccc(C#N)cc1 866638481 QTQCLKZRRQYNFH-MSOLQXFVSA-N 286.419 3.540 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1cnc(C)s1 870511799 OAMORMLWCZJOFK-LLVKDONJSA-N 268.426 3.989 30 20 CHED Cc1ccc(NN=CC2([C@H]3CCCCO3)CCC2)nc1 872347847 GKYFISYKJVVVKJ-CQSZACIVSA-N 273.380 3.527 30 20 CHED C=CCC1(O)CCN(Cc2cccc(C(F)(F)F)c2)CC1 886760014 VQTDQIVPMQTXQF-UHFFFAOYSA-N 299.336 3.608 30 20 CHED CCN(C(=O)Nc1cc(C#N)ccc1F)[C@H](C)C(C)C 888355079 KKEUCCUHNAZXDC-LLVKDONJSA-N 277.343 3.596 30 20 CHED CCC(CC)CN(CCC#N)c1cc(C(F)F)ncn1 892971639 APCYFBSLKRAYHV-UHFFFAOYSA-N 282.338 3.570 30 20 CHED CO[C@@]1(C)CCCN(c2ccc(C#N)cc2Cl)CC1 893627522 OSLOSWDLJHQZCC-HNNXBMFYSA-N 278.783 3.607 30 20 CHED C=C1CCC(C(=O)Nc2ccc(O)cc2SC)CC1 897559108 FHLZEZLNFFGHNQ-UHFFFAOYSA-N 277.389 3.799 30 20 CHED Cn1cc(/C=C2\CCc3ccc(F)cc3C2=O)c(C2CC2)n1 899366077 HYSZARIFBCZQMG-MDWZMJQESA-N 296.345 3.649 30 20 CHED O=C(c1cccs1)N(O)Cc1cccc2ccccc12 901367453 GREQFVQPDYFBJA-UHFFFAOYSA-N 283.352 3.933 30 20 CHED CC[C@H](NCC(C)(C)OCC1CC1)c1cccc(C#N)c1 903020271 XQHBIWAPODHYHX-KRWDZBQOSA-N 286.419 3.804 30 20 CHED CC[C@@H](NCC1(C#N)CC1)c1cccc(Br)c1 903101609 KCJUUNYVCVYNLW-CYBMUJFWSA-N 293.208 3.794 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2CC23CCC3)CCC1 909073809 ISGHNZFCSNCTMP-ZDUSSCGKSA-N 261.365 3.584 30 20 CHED Cc1cccc(CN(C)C(=O)/C=C/c2ccccc2C#N)c1 914488538 FHIQTCZNKPKQJU-ZHACJKMWSA-N 290.366 3.539 30 20 CHED C=C(C)COC(=O)c1ccc(OCCC)c(OCC)c1 916593922 BQHCLOLFOMJWRY-UHFFFAOYSA-N 278.348 3.607 30 20 CHED CCCCCCCC(=O)N(CCN(C)C)C1CCCC1 919695097 QORNMEZTYUHUCF-UHFFFAOYSA-N 282.472 3.680 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@@H]1CCCC[C@@H]1C 920716941 VIVVJBSWSRPKFR-JSGCOSHPSA-N 287.359 3.689 30 20 CHED CCC[C@@H](NC=C1C(=O)CC(CC)CC1=O)c1ccccc1 920979451 NKJNLEFJPXNBPT-FBMWCMRBSA-N 299.414 3.960 30 20 CHED C=C(C)CCN[C@H](C)c1nc(Br)ccc1F 926521923 VNSHJHYVRTWSKV-SECBINFHSA-N 287.176 3.600 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](C#N)C1 928222913 UBDALCCTKJHSOQ-HZPDHXFCSA-N 276.424 3.745 30 20 CHED CC(C)(C)c1nc(CNC2(c3cccc(C#N)c3)CC2)co1 930219232 KZOBMGPCDHLBRH-UHFFFAOYSA-N 295.386 3.623 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1nc(C(C)(C)C)cs1 930469806 ARTVLDXRYOBSIQ-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CON(CCCC(C)(C)C#N)[C@H](C)c1csc(C)n1 931539790 CBWSJDQGORNGLR-LLVKDONJSA-N 281.425 3.706 30 20 CHED C#Cc1ccc(NC(=O)N2CC[C@H](C(C)(C)C)C2)cc1 934927938 PJKZLNIPIMOEEX-AWEZNQCLSA-N 270.376 3.568 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)CCCC(F)(F)F 935639439 LLHKKKNMITXUKU-NSHDSACASA-N 298.308 3.718 30 20 CHED N#Cc1ccc(COC(=O)CCCc2ccccc2)s1 1118335724 QAVAUTNPAQILMO-UHFFFAOYSA-N 285.368 3.686 30 20 CHED C[C@@H]1CC=C(c2nnc(-c3ccc(C#N)cc3)o2)CC1 1118371709 GGORFQYGXXSGNN-LLVKDONJSA-N 265.316 3.812 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1 1118829023 GCLGYEWLMJYGAA-HNNXBMFYSA-N 294.398 3.972 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)c1ccc(C#N)cc1F 1127042090 CBZOWKBJQTVEIV-CQSZACIVSA-N 288.366 3.738 30 20 CHED CC(C)c1scnc1C(=O)Nc1cc(F)cc(C#N)c1 1132225191 JWOSKESZLIXVJH-UHFFFAOYSA-N 289.335 3.530 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1F 1253612549 OLKXXVDOGDQJTH-FNORWQNLSA-N 260.264 3.632 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C1 1254653264 KWUIPPCSHNNOCO-UKRRQHHQSA-N 295.386 3.699 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCCC(=O)c2ccccc2)C1 1263481308 ATVGIXBSIFOFBW-GDBMZVCRSA-N 299.370 3.665 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1nc(C#N)c(Cl)s1 1306981078 CDXYGKMPHLBQFT-RISCZKNCSA-N 289.791 3.810 30 20 CHED N#CCc1cccc(NCc2nc3ccccc3o2)c1 1308408545 QCNSLPWHFRPFOL-UHFFFAOYSA-N 263.300 3.506 30 20 CHED N#CCc1cccc(N[C@H](Cc2ccccc2)C2CC2)n1 1320359045 FBGAUHPTKCLYJV-QGZVFWFLSA-N 277.371 3.581 30 20 CHED C=CCCC(=O)CSc1ncc(-c2ccccc2)o1 1323131893 NBOBMOKTYFIBFI-UHFFFAOYSA-N 273.357 3.969 30 20 CHED COc1ccc(Br)cc1C=NOC(C)(C)C 1323132721 PVDMXOFOHLTONE-UHFFFAOYSA-N 286.169 3.607 30 20 CHED C#Cc1cccc(N(C(=O)c2occ(C)c2C)C(C)C)c1 1323354615 HRGBSSWANINESV-UHFFFAOYSA-N 281.355 3.933 30 20 CHED C=C1CCN(Cc2c(Cl)cccc2N(C)C)CC1 1323445503 NDPLRSORSTWJLL-UHFFFAOYSA-N 264.800 3.558 30 20 CHED Cc1coc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1C 1323634276 XQQTZMFOEKFHJO-UHFFFAOYSA-N 285.347 3.577 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1326313203 BYGHFQGASBARLX-AWEZNQCLSA-N 289.423 3.560 30 20 CHED N#Cc1cccc(-c2nnc([C@@H]3CCCC(F)(F)C3)o2)c1 1329094915 ODCWZIUISCUETF-GFCCVEGCSA-N 289.285 3.901 30 20 CHED Cc1ccc([C@@H](C)c2nnc(-c3cccc(C#N)c3)o2)o1 1333075727 CYMGYFQBXRAXSC-LLVKDONJSA-N 279.299 3.662 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NC1(C)CC1 1339257587 BPIZVFOGNBRPAO-CYBMUJFWSA-N 254.418 3.835 30 20 CHED Cc1ccc(Cl)cc1C(=O)[C@H](C#N)c1cccc(F)n1 1342641109 LHUMPDXZLKUMBZ-GFCCVEGCSA-N 288.709 3.673 30 20 CHED N#C[C@H](C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1cccc(F)n1 1342710606 MZVLDPXHBJABBQ-RSUWNVLCSA-N 286.350 3.613 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)Cc1cccc(Cl)c1 1350753930 SFQXTBCZOASGOY-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C=C[C@@H](C(=O)N1CC=CC12CCCC2)c1ccccc1 1352474668 JYZZHZJQXVSKEC-MRXNPFEDSA-N 267.372 3.667 30 20 CHED C=C(C)CCC(=O)N1CCC(Oc2ccc(C)cc2)CC1 1353575528 RBUMZDGWVINANP-UHFFFAOYSA-N 287.403 3.721 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)C1=COCCC1)c1cccs1 1519363017 DPNALOYRFAKAOM-SMDDNHRTSA-N 291.372 3.576 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1sccc1C#N 1520276837 KCOMBYPVTREZJL-GFCCVEGCSA-N 275.377 3.582 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(O)c1 1527645859 ACVCDKVYFLGAQJ-DZGCQCFKSA-N 288.391 3.593 30 20 CHED C=C(CC)C(=O)Nc1cc(F)c(Br)cc1C 1528115151 UILWAHGNAPLBKD-UHFFFAOYSA-N 286.144 3.801 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)Nc2cc(F)cc(C#N)c2)C1 1563171762 JHBCPRRSLWKCRD-NWDGAFQWSA-N 289.354 3.740 30 20 CHED CCO[C@H](C(=O)Nc1cc(C)cc(C#N)c1)c1ccccc1 1584929890 GJQHZWMENOSKQA-KRWDZBQOSA-N 294.354 3.583 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2C#N)no1 1586199796 LLJOLJOUTOOJJB-UHFFFAOYSA-N 289.722 3.575 30 20 CHED N#Cc1csc(C(=O)Nc2ccc3occc3c2)c1 1596957812 GSCDHNQNDCYRIB-UHFFFAOYSA-N 268.297 3.618 30 20 CHED O=C(O)CCC[C@H]1CCCC(=NOC2CCCC2)C1 1601980929 VHERVPIWYNCHPQ-GFCCVEGCSA-N 267.369 3.747 30 20 CHED CC[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)O 1605106438 RCSJLCDUOZYWPQ-MRXNPFEDSA-N 296.326 3.626 30 20 CHED N#Cc1nc(NCc2cccc3cc[nH]c23)sc1Cl 1612258221 GGGUCKOSPYYKAD-UHFFFAOYSA-N 288.763 3.762 30 20 CHED Cc1ccnc(SCc2ccc(F)cc2C#N)c1 1614945020 VFGPKMFKJHIQIC-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#CCc1ccc(CN2Cc3cc(F)c(F)cc3C2)cc1 1643592279 KPHRQVVVYPKEDK-UHFFFAOYSA-N 284.309 3.547 30 20 CHED Cc1csc2ncnc(Oc3ccc(C#N)cc3F)c12 1650858524 AOKYPVJIBVWJGK-UHFFFAOYSA-N 285.303 3.803 30 20 CHED CC[C@@H](C)[C@@H](C)N(CCc1ccc(C#N)cc1)C1CC1 1657279847 AMOOZIFCVVWGFH-HUUCEWRRSA-N 270.420 4.000 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCC[C@H]1C 1749266105 CSYXKODBXYWUJW-GFCCVEGCSA-N 294.830 3.677 30 20 CHED CC(C)(C=NNc1ccc(C(=O)O)cc1)Oc1ccccc1 1776012518 BLKIFFPHBBKFQI-UHFFFAOYSA-N 298.342 3.640 30 20 CHED CC(=NOCc1ccccc1)c1ccc(C(=O)O)cc1C 1776029419 PSZIKTDYJSUGNI-UHFFFAOYSA-N 283.327 3.634 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1cc(C)cc(F)c1 1776031725 UIOKUHWUHVREOH-UHFFFAOYSA-N 286.306 3.668 30 20 CHED CCC(=NNc1ccc(C(=O)O)c(F)c1)[C@@H]1CC1(C)C 1776075542 NNBRVPOGHLTUJT-NSHDSACASA-N 278.327 3.748 30 20 CHED Cc1c(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cccc1C(=O)O 1776086517 ZAWBMTGXDIEUMU-RZFFKMDDSA-N 298.386 3.917 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C(=O)O)c1cccc(F)c1 1776180785 BYRTVXHTAFLSPE-QGZVFWFLSA-N 299.345 3.640 30 20 CHED C=CCc1cccc(CN(C)c2cccc(CC(=O)O)c2)c1 1776189300 JPRIMWJULRJFCF-UHFFFAOYSA-N 295.382 3.679 30 20 CHED Cc1cccc2c1CC/C(=C\c1cc(C(=O)O)c(C)o1)C2=O 1777457374 OZAAYRACKIUHJS-XYOKQWHBSA-N 296.322 3.807 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(OCC)cc2C)CC1 111731257 UXUGVDCFCRBKHX-UHFFFAOYSA-N 288.391 3.824 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)c1cc(C#N)cs1 177427253 FUXZSKYEVVDMFX-VIFPVBQESA-N 276.386 3.514 30 20 CHED C#Cc1cccc(N(C(=O)C[C@H]2C=CCC2)C(C)C)c1 102909205 UJYPHUVPICAZEY-INIZCTEOSA-N 267.372 3.766 30 20 CHED C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C#N)cc1 174312044 FHKXYBULJLIAMT-ZDUSSCGKSA-N 291.354 3.537 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 175119983 IFCXWIDYMHEHHN-UHFFFAOYSA-N 273.163 3.870 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 114757212 BENXTORLSDFOAW-JTQLQIEISA-N 269.797 3.895 30 20 CHED C=CCCC(=O)NCCc1ccc(Cl)cc1Cl 171419803 GJVGYAGZJNLYAA-UHFFFAOYSA-N 272.175 3.618 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C1CCC1 301305399 UJAAYUBHPSLNAA-LBPRGKRZSA-N 295.308 3.741 30 20 CHED C=CCOc1ccccc1CNC(=O)c1cc(C)ccc1F 110423816 QYPNYBGAMWRYDY-UHFFFAOYSA-N 299.345 3.629 30 20 CHED C#CCCCOC(=O)COc1ccccc1-c1ccccc1 62699817 ZVOUDLWQAWLZOG-UHFFFAOYSA-N 294.350 3.689 30 20 CHED N#CCc1ccc(NC(=O)/C=C/C2CCCCC2)cc1 117581603 ZOCCECJOVCROCS-DHZHZOJOSA-N 268.360 3.828 30 20 CHED N#Cc1cccc(Oc2ccc(NC(=O)C3CC3)cc2)c1 66789037 GPBGPSAYHPQQSQ-UHFFFAOYSA-N 278.311 3.699 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 176475702 LKIWVSBLLWQKEU-GJZGRUSLSA-N 272.392 3.562 30 20 CHED C=CC1CCN(C(=O)c2cc3c(C)c(C)ccc3[nH]2)CC1 116759320 OGDNDZIDFWMFAM-UHFFFAOYSA-N 282.387 3.823 30 20 CHED C#CCOc1ccc(C(=O)N(C2CC2)[C@@H](C)[C@@H](C)CC)cc1 303818837 DMIWKNBRPGYTSN-GJZGRUSLSA-N 299.414 3.738 30 20 CHED CN(C(=O)C1(C#N)CCC1)c1ccc(C(C)(C)C)cc1 119200024 QQOUNOCQQSZCDX-UHFFFAOYSA-N 270.376 3.641 30 20 CHED C=C(Br)CN1C[C@@H](C)c2ccccc21 306690248 OYLSTYVJRKRWDG-SECBINFHSA-N 252.155 3.519 30 20 CHED CCCC(C#N)(CCC)NC(=O)C1CCCCCC1 121497478 FPMNEFAQDMFTBE-UHFFFAOYSA-N 264.413 3.936 30 20 CHED N#Cc1c(NC(=O)[C@@H]2CC=CCC2)sc2c1CCCC2 69086676 ZXTUNMTWFWEPLG-LLVKDONJSA-N 286.400 3.793 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 182027652 PGXCQNMMQGKWDV-LBPRGKRZSA-N 298.317 3.677 30 20 CHED COC[C@@H](C#N)Nc1cccc(CSC(C)C)c1C 181336819 KAZFIQPLSCFCRC-CQSZACIVSA-N 278.421 3.587 30 20 CHED C=CCN(CC=C)C(=O)NC[C@@H](C)Sc1ccccc1 74823201 DEMYGMUXPNLRJT-CQSZACIVSA-N 290.432 3.551 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(CC#N)cc2)C1 76083596 BBGKIAFSEAJWGG-CJNGLKHVSA-N 285.391 3.795 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 213900987 GPLGYCDTVBOANI-POHAHGRESA-N 297.310 3.808 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 410200901 BKSLABPNBVFOBG-OAHLLOKOSA-N 278.371 3.740 30 20 CHED CC(C)(C(=O)Nc1cccc(CC#N)c1)c1ccccc1 313450195 ZPQUXIWJAXOVFQ-UHFFFAOYSA-N 278.355 3.669 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](SC)c1ccccc1 415537731 HXDPRKLWDYGXNL-CABCVRRESA-N 275.417 3.658 30 20 CHED Cc1ccnc(NC[C@@H]2CCCCC(F)(F)C2)c1C#N 488457235 APLNPFBCVRFYTC-GFCCVEGCSA-N 279.334 3.889 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccc2ccccc2c1 122282797 YEGUEYGFXZPENC-GUYCJALGSA-N 294.398 3.998 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1c1ncc(C#N)cc1F 413322824 HMYMHDROJYTYLG-IOASZLSFSA-N 295.361 3.863 30 20 CHED N#CCc1cccc(NC(=O)c2cc3c(s2)CCCC3)c1 313441963 IJKLJIUXCAMDPY-UHFFFAOYSA-N 296.395 3.945 30 20 CHED COc1ccccc1CCCN(CCC#N)Cc1ccco1 182529586 WSKCRQDDMQKDAF-UHFFFAOYSA-N 298.386 3.637 30 20 CHED N#Cc1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1 70248944 CFJHVPKUBBVMGZ-UHFFFAOYSA-N 253.692 3.755 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2CSc3ccccc32)c1 313451577 SCGRXHDCNJAZTJ-OAHLLOKOSA-N 294.379 3.581 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCc1ncccc1F 127534040 SUFXESAEDFWEFF-UHFFFAOYSA-N 295.239 3.723 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 502972224 VDSBNBRWZJIXKD-VXGBXAGGSA-N 270.376 3.878 30 20 CHED Cc1ccccc1CN(C)c1nc2c(cc1C#N)CCCC2 315087903 LPQWPQJNSSJIRK-UHFFFAOYSA-N 291.398 3.777 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(O)c(C)c1)c1ccccc1 187083616 DRLNZOCRLAZSFK-INIZCTEOSA-N 281.355 3.999 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Oc2ccncc2)cc1 185559183 CXKGHQWAZIUVOQ-UHFFFAOYSA-N 294.354 3.862 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc(CC)cc2)no1 188033000 RVGIOFSHEZEVOQ-QGZVFWFLSA-N 286.375 3.779 30 20 CHED N#Cc1ccc(NCc2ccc(C(F)(F)F)cn2)cc1 340604450 ZZYAGFHEYYODAO-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CN(Cc1cccc(C#N)c1)c1cc(C(F)(F)F)ccn1 78591860 AORQSJQGWKALCV-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CNCc1ccc(OCC#N)cc1 187213159 KOJVRMDWJWVYLG-MAUKXSAKSA-N 284.403 3.671 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(OCC)cc2F)CC1 417450868 HGCXQNPOSUNGMB-UHFFFAOYSA-N 292.354 3.654 30 20 CHED CC(C)N(CCCN[C@H](C)c1ccc(C#N)cc1)C(C)C 181846763 MZFSITQIFDZCEE-MRXNPFEDSA-N 287.451 3.718 30 20 CHED CC(C)CC[C@H](NCC#N)c1ccc(Cl)cc1 180024890 FGGIVNDCDPQTFX-AWEZNQCLSA-N 250.773 3.930 30 20 CHED C[C@H]1c2ccc(Cl)n2CCN1CCCC(C)(C)C#N 284346628 RNQOAPSJYMSOGD-LBPRGKRZSA-N 279.815 3.848 30 20 CHED CCN(C(=O)c1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 45498971 VGWBHYLHAZDUKR-ZDUSSCGKSA-N 296.345 3.921 30 20 CHED C=CCOc1ccc(CC(=O)N(CCC)C(C)(C)C)cc1 410557632 MCJSNOZVIKHAHY-UHFFFAOYSA-N 289.419 3.831 30 20 CHED C=C(C)CN(C)C(=O)c1cccnc1Sc1ccccc1 180392228 DQVBBSYJLUSBDZ-UHFFFAOYSA-N 298.411 3.881 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cccc(SCC)c1 410835514 NYISDTQXOILMFZ-CYBMUJFWSA-N 276.405 3.563 30 20 CHED C=C(C)CSCc1nc(-c2cccs2)no1 79086429 YZWSMBVQIMVNMY-UHFFFAOYSA-N 252.364 3.607 30 20 CHED CC(=O)c1sccc1OCc1cc(F)ccc1C#N 187581771 DWHHJDZUQFYUAQ-UHFFFAOYSA-N 275.304 3.540 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C)c1 72025628 AJUZBWBEWIHWJR-BBRMVZONSA-N 288.391 3.952 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1C#N 132552960 OXNMUCCLBBETTM-GQCTYLIASA-N 283.352 3.833 30 20 CHED N#Cc1cc(C(=O)Nc2ccccc2-c2ccccc2)c[nH]1 180031524 GKMLDAKUTFNWDS-UHFFFAOYSA-N 287.322 3.806 30 20 CHED COCC[C@H](Sc1ccc(C#N)cn1)c1ccccc1 412992641 UQAVAMLVZMGBGV-HNNXBMFYSA-N 284.384 3.823 30 20 CHED Cc1cc(Br)ccc1CNCC1(C#N)CCC1 418142633 NHFDOJCJNUMHOO-UHFFFAOYSA-N 293.208 3.541 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(c2ccccc2C)CC1 185491417 JVHKWNGNZBQKHE-UHFFFAOYSA-N 283.415 3.751 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nccnc1C 414311943 ZBOVOZISVJUBPA-RDJZCZTQSA-N 281.403 3.623 30 20 CHED CCN(Cc1occc1C)C(=O)Nc1cc(C)cc(C#N)c1 417217000 YZLYYZWZWVIPFZ-UHFFFAOYSA-N 297.358 3.822 30 20 CHED C[C@@]1(C(=O)Nc2ccc(C#N)c(Cl)c2)CC=CCC1 459863997 MCYRBODIVIQZEQ-OAHLLOKOSA-N 274.751 3.897 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccn1C1CCCC1 410126236 WYCFETCSJSXHDJ-ZDUSSCGKSA-N 260.381 3.688 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cc(F)cc(F)c1 414162860 HVORFGXUDCVKHL-SNVBAGLBSA-N 252.308 3.555 30 20 CHED C=CCN(C(=O)[C@H]1CCC[C@@H]1c1ccccc1)C1CC1 410665076 URSORIBHKOZKIQ-SJORKVTESA-N 269.388 3.747 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)NCC#Cc2ccccc2)C1 509342980 JNABEDQNWQBLCG-ROUUACIJSA-N 298.430 3.552 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](c1ccccc1)C(C)C 193125510 LZMIGLAQTLAEKB-MRXNPFEDSA-N 257.377 3.627 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccc(C#N)s1 134502769 OBCSVNJBEVGRGB-VQHVLOKHSA-N 283.352 3.915 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(Cl)s1 44766488 JPNVPEQXPWNDGG-SECBINFHSA-N 284.812 3.909 30 20 CHED C#Cc1cccc(NC(=O)NC(C)(C)c2cccc(F)c2)c1 133186897 AEZHCKYSELJZBS-UHFFFAOYSA-N 296.345 3.864 30 20 CHED CC[C@@H](C)CCC(=O)Nc1ccc(Cl)c(C#N)c1 505970429 HPXYABHJQATFQK-SNVBAGLBSA-N 264.756 3.976 30 20 CHED COCc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1 132627866 YFPMLYONCFBLGO-CMDGGOBGSA-N 284.359 3.507 30 20 CHED CC(C)(C)c1csc(CN[C@@H]2CCC[C@@H](C#N)C2)n1 192835316 WGPWRHVRJMDBKE-VXGBXAGGSA-N 277.437 3.613 30 20 CHED CCC(CC)(CC)NCc1ccc(OC)c(C#N)c1 87824521 NBEALZYFVDWZMA-UHFFFAOYSA-N 260.381 3.625 30 20 CHED CCCCCCCCCN(C)C(=O)c1snnc1C 190481710 GQYFOVFNBJPFQD-UHFFFAOYSA-N 283.441 3.669 30 20 CHED C[C@@H](NCC(C1CC1)C1CC1)c1ccc(OCC#N)cc1 88456052 GNTDPZFVHZZIGP-CYBMUJFWSA-N 284.403 3.676 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C#N)s2)cc(OC)c1 134500074 ZMDPREQUWBEGDB-HWKANZROSA-N 299.351 3.533 30 20 CHED N#Cc1ccc(N2CCC[C@H](CC(F)(F)F)C2)c(F)c1 420641175 ZCZHXWGRDSJNTD-LLVKDONJSA-N 286.272 3.866 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C#N)c1C 510115397 CDQNLDUNLVOXKH-SUMWQHHRSA-N 284.403 3.908 30 20 CHED C=C(C)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1 512350369 NDGGNNHTOGRJSJ-UHFFFAOYSA-N 284.186 3.935 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(NC(=O)OCC)cc1 190642756 YVCYHJYRAYGZDC-INIZCTEOSA-N 290.363 3.796 30 20 CHED C[C@@H]1CC[C@@H](N(C)CC#Cc2ccccc2Cl)C1 429566789 LQCATHYOCWJSRW-UKRRQHHQSA-N 261.796 3.812 30 20 CHED CCN(CC#N)Cc1cc(-c2ccccc2)ccc1OC 511525809 MNOJZEGQQAGPIB-UHFFFAOYSA-N 280.371 3.708 30 20 CHED C[C@H](O)CC(C)(C)C/N=C(/O)N(C)[C@@H](C)C1CCCCC1 330452641 UZNLVSLBWUWAFK-KBPBESRZSA-N 298.471 3.598 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1cc(C)cc(C)c1)OCC 339206135 WIGZHVDFYUHTAW-INIZCTEOSA-N 275.392 3.638 30 20 CHED C[C@@H](N(C)Cc1cn2ccccc2c1C#N)C(C)(C)C 532929069 YSELKUBKVRYJAQ-CYBMUJFWSA-N 269.392 3.677 30 20 CHED N#CC1(C(=O)N2CCC(=Cc3ccccc3F)CC2)CCC1 334834172 ILYOBQRODOLROP-UHFFFAOYSA-N 298.361 3.525 30 20 CHED COCC[C@@H]1CCC[C@@H]1N[C@@H](CCC#N)c1ccccc1 337464322 LJXIFCDHFDGAAK-BZSNNMDCSA-N 286.419 3.826 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(C(F)F)c1 335775860 BOWYWHOTYNXAEC-ZDUSSCGKSA-N 265.303 3.805 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 235192784 YMRPIUIXNVZGMT-HTQZYQBOSA-N 287.841 3.754 30 20 CHED C=CCCOCCN[C@H](C)C(C)(C)c1ccccc1 90883566 VLNTYFYNELBNAN-OAHLLOKOSA-N 261.409 3.535 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 424871953 MWUQKEDQPIXJPD-SHTZXODSSA-N 287.403 3.660 30 20 CHED C=CCCC[C@@H](C)N[C@H]1CCc2cccnc2CC1 421835405 MLDZZSZKGBFSJH-ZBFHGGJFSA-N 258.409 3.663 30 20 CHED C=CCC1(c2nc(C3(N)CCCCC3)no2)CCCCC1 424349012 QBWCNSOJSACKRN-UHFFFAOYSA-N 289.423 3.966 30 20 CHED CC1(C#N)CCC(NCc2nccc3ccccc23)CC1 336228891 KMJJZNVNKZYJMF-UHFFFAOYSA-N 279.387 3.797 30 20 CHED Cc1nc(C)c(C/N=C(/O)N[C@@H](C)CCC(C)(C)C)s1 330935528 NRTULYQGRMRBGP-JTQLQIEISA-N 297.468 3.978 30 20 CHED C=CC1CCN(Cc2ccc(C(C)C)nc2C)CC1 338994694 HRGQVRRUIHNUEB-UHFFFAOYSA-N 258.409 3.911 30 20 CHED Cc1cc(C)c(C(=O)Nc2sc(C)c(C)c2C#N)o1 335761752 RDKRBDZDJFLXOY-UHFFFAOYSA-N 274.345 3.699 30 20 CHED C[C@H]1CCCC[C@H]1CNCc1ccc(N(C)CCC#N)cc1 237554472 DSTYJIKBNOLGMD-WMZOPIPTSA-N 299.462 3.952 30 20 CHED Cc1nnc(SCCCC(C)(C)C#N)n1C(C)C 331164769 RZQMHVBZYDRTAL-UHFFFAOYSA-N 266.414 3.590 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 431304682 IEYNLPFRWMCTMY-BPUTZDHNSA-N 290.382 3.726 30 20 CHED Cc1cc(NC(=O)[C@@]2(C#N)C[C@H]2C)c2ccccc2c1 334648001 ZTNBWRRCELEOBO-SJKOYZFVSA-N 264.328 3.637 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCOc2cccc(F)c2C1 338327152 KUPLFHHMGPMJCX-ZDUSSCGKSA-N 296.345 3.653 30 20 CHED COc1cc(C#N)ccc1CN1CCc2ccccc2[C@H]1C 347251739 HFGDAVKVUMASEX-CQSZACIVSA-N 292.382 3.686 30 20 CHED COc1cc(/C=C/c2ccncc2C#N)ccc1SC 347420804 CXJQDLMFLGBMFO-HWKANZROSA-N 282.368 3.854 30 20 CHED CC[C@H](C#N)NC(=O)c1cc(C(C)C)cc(C(C)C)c1O 436605266 LBAHRZAKAXKLHC-CYBMUJFWSA-N 288.391 3.671 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](Oc1ccccc1)c1ccccc1 522645145 BPCDHXVESNHYAX-YJBOKZPZSA-N 295.382 3.888 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)[C@@H]1C[C@H]2CC[C@H]1C2 247355646 PTYFYKCRUOSFNI-YXMPFFBPSA-N 260.406 3.534 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cc(Cl)cc3cccnc23)C1 521967003 AEUMRXWRKFLCSF-ZWNOBZJWSA-N 271.751 3.992 30 20 CHED Cc1csc(NC(=O)[C@@H]2CCC[C@H](C)C2)c1C#N 344919814 FHZDPTXWQQEWQG-GXSJLCMTSA-N 262.378 3.693 30 20 CHED CC(C)c1nc(CSCC2(C#N)CC2)cs1 344483378 LGPDWGBGZPPCGB-UHFFFAOYSA-N 252.408 3.803 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2cc(C#N)cn2C)n1 341164642 DTOVKGPXOGVPPV-CHWSQXEVSA-N 284.363 3.631 30 20 CHED C=CCC(C)(C)c1noc(C2C[C@@H](C)O[C@H](C)C2)n1 340814961 HFJHEJYGNJVLMG-GHMZBOCLSA-N 264.369 3.594 30 20 CHED CCc1oc2ccccc2c1CC(=O)NCC(C)(C)CC#N 600001376 MSNNJEHVODTTCF-UHFFFAOYSA-N 298.386 3.594 30 20 CHED C=CCC[C@@H](NCC1(N(C)C)CCCCC1)C1CC1 439092985 PWCHHNOYXYFNFK-MRXNPFEDSA-N 264.457 3.585 30 20 CHED Cc1nsc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1C#N 343045849 ORBVJHUVVWJDMU-WCQYABFASA-N 289.791 3.945 30 20 CHED Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@H](C)C#N 609927943 SCPGHRMXNAEENW-HIFRSBDPSA-N 298.411 3.616 30 20 CHED CCCCN(C(=O)c1cc2ccccc2n1CC#N)C1CC1 609162337 FRZDTTHVRDKPIK-UHFFFAOYSA-N 295.386 3.570 30 20 CHED CC(C)(CCC#N)CNCc1cnc(-c2ccco2)s1 342274937 IERTVZLNCFIJLM-UHFFFAOYSA-N 289.404 3.823 30 20 CHED CCN(CCCCC(C)(C)C#N)[C@H](C)C(F)(F)F 602990530 XMARJVSAAABISP-LLVKDONJSA-N 264.335 3.979 30 20 CHED CC(C)(NCc1cccc(C#N)c1)c1cccs1 522629642 ZEOFFZPFRGTYRV-UHFFFAOYSA-N 256.374 3.645 30 20 CHED CC(C)[C@H](NC[C@H](C)CCC#N)c1nc2ccccc2[nH]1 602528829 LGRVGQNYDJSPLM-CJNGLKHVSA-N 284.407 3.789 30 20 CHED C[C@H](CCC#N)CN1CCCN(CC2CCCCC2)CC1 602449928 UKFLJGRHTNOUDR-QGZVFWFLSA-N 291.483 3.514 30 20 CHED COc1cccc(NC2CCC(C)(C#N)CC2)c1C 600190179 KMQBIPBQNNVIBF-UHFFFAOYSA-N 258.365 3.888 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCCCCCF 340616541 CXSICXQNTKLKKZ-CYBMUJFWSA-N 275.433 3.673 30 20 CHED C=CCCCCCN(C)C(=O)COc1cccc(CC)c1 606816892 WGNKVDNKBONTQZ-UHFFFAOYSA-N 289.419 3.833 30 20 CHED CC[C@H](C(=O)N[C@@](C)(C#N)CSC)C1CCC(C)CC1 345100017 VQNGSJXSZOHKBF-UJJWPFCGSA-N 296.480 3.600 30 20 CHED CC[C@H](C)Cc1noc(CSc2ccc(C#N)cc2)n1 601398533 HFSGOHWHDYCOCK-NSHDSACASA-N 287.388 3.822 30 20 CHED CCSc1ccc([C@H](C)N=c2cc[nH]c(C#N)c2)cc1 341949901 XBTLHTJAPVFDNR-LBPRGKRZSA-N 283.400 3.660 30 20 CHED C=CCCN(C)Cc1cnc(-c2ccc(C)o2)s1 343450428 XFMGAVKTEVVPEX-UHFFFAOYSA-N 262.378 3.719 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C#N)s2)c(OC)c1 255292957 HMBJWFFJZYUOCG-DAXSKMNVSA-N 299.351 3.533 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 442781622 NDPBTUULNJLZOY-LPWJVIDDSA-N 274.330 3.637 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1ccc(Cl)cc1Cl 447317236 CESSWPAAJFJASX-CMPLNLGQSA-N 288.218 3.971 30 20 CHED C[C@H](CCC#N)CNCCCc1cccc(Cl)c1 602543687 GLYYJPLDNNHIJE-CYBMUJFWSA-N 264.800 3.802 30 20 CHED C=CC[C@@H](C)NC(=O)CCC(=O)c1ccc(CCC)cc1 604880555 XXKZQMOCUCEGSE-CQSZACIVSA-N 287.403 3.683 30 20 CHED CCN(CC)CCSCC#Cc1cccc(Cl)c1 448101619 PITRJKAGZQYFGP-UHFFFAOYSA-N 281.852 3.767 30 20 CHED CCC1(CC)[C@@H](N(C)Cc2cc(C#N)cs2)C[C@H]1OC 355204748 HXJNNRQIRHQYJN-LSDHHAIUSA-N 292.448 3.645 30 20 CHED N#Cc1cc(F)cc(NC(=O)CC2(C#N)CCCCC2)c1 601711730 HXXAXMQGQDDAMH-UHFFFAOYSA-N 285.322 3.500 30 20 CHED Cc1c(-c2noc(CSCC#N)n2)oc2ccccc12 350837304 RQWXRKAXDQLNBF-UHFFFAOYSA-N 285.328 3.548 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cccc(OCCC)c1 538333157 VOJSMKQMFGITEX-HNNXBMFYSA-N 289.419 3.879 30 20 CHED C[C@H](CCC#N)CNCc1ccc(Br)c(F)c1 602525831 SFLCQZBBZMWVRY-SNVBAGLBSA-N 299.187 3.618 30 20 CHED C=C(C)CN1CCC(NC(=O)[C@@H](CCC)CC(C)C)CC1 449843839 JHHKQNIDMWFHOA-INIZCTEOSA-N 294.483 3.606 30 20 CHED Cc1cn(CCOc2cccc3ccccc23)cc1C#N 532907319 VVAVMNQHZKLNGO-UHFFFAOYSA-N 276.339 3.900 30 20 CHED Cc1noc(CCCSc2ccc(C#N)cc2Cl)n1 269963563 MFSWOFZTDIEVRW-UHFFFAOYSA-N 293.779 3.628 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc[nH]c1CC 355434215 BECFXSDLHYOXRP-UHFFFAOYSA-N 282.387 3.796 30 20 CHED Cc1nc(C(=O)NCCCCC#N)c(-c2ccccc2)s1 352386756 GGMILQVGBVSZSP-UHFFFAOYSA-N 299.399 3.542 30 20 CHED Cc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)cc1 536876948 RBQANPWJHGPMGH-HNNXBMFYSA-N 280.371 3.596 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccccc2OCC2CC2)C1 442852249 HEFZKGRXNDOYSD-KBPBESRZSA-N 256.349 3.580 30 20 CHED CCN(C(=O)CC(C)(C)C#N)[C@@H](C)c1ccc(F)cc1 353820102 XJKQUMMGQWZVNU-LBPRGKRZSA-N 276.355 3.675 30 20 CHED CC[C@@H](NCC1(CO)CCCCC1)c1ccc(C#N)cc1 618571870 IROOFGCPHXFNKR-QGZVFWFLSA-N 286.419 3.542 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@H]1c1ccccn1 531385649 CLNPBKYPZANJSR-HNNXBMFYSA-N 283.762 3.948 30 20 CHED CC(C)n1ccc(CNc2nc(C(C)(C)C)ccc2C#N)n1 613426340 FRVKAIHRZYTRBI-UHFFFAOYSA-N 297.406 3.640 30 20 CHED CC[C@H](C(=O)NCCCCC#N)C1CCC(C)CC1 359296701 IRNBDPHCZBODGT-NRXISQOPSA-N 264.413 3.649 30 20 CHED CCO[C@@H]1C[C@H](NC2CCC(C)(C#N)CC2)C12CCCC2 449176652 QWBYMQZIZUUQDF-VUROTCPHSA-N 290.451 3.786 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCO[C@@H](c2ccccc2)C1 265590760 ZPWRXOOFCZUPPU-HNAYVOBHSA-N 292.382 3.693 30 20 CHED CC[C@H](NC[C@H](C)C(F)(F)F)c1ccc(C#N)cc1 447602446 ULZOEMNMHQVODO-GWCFXTLKSA-N 270.298 3.797 30 20 CHED Cc1ccc(C(C)C)cc1Oc1nccnc1C#N 54380204 MAZLEACEKVTFPE-UHFFFAOYSA-N 253.305 3.572 30 20 CHED C=CCCC1(C(=O)NCc2ncoc2-c2ccccc2)CC1 356331016 LLNAXJVFCKWGPV-UHFFFAOYSA-N 296.370 3.704 30 20 CHED CCc1nc([C@H](C)Nc2cccc(F)c2C#N)cs1 264747257 LPICHPNZXJZHPX-VIFPVBQESA-N 275.352 3.889 30 20 CHED CCN(Cc1ccccc1Cl)[C@H](C)CCC#N 351620711 QTTPBCYTUZNSMG-GFCCVEGCSA-N 250.773 3.854 30 20 CHED C=CCN(C(=O)CCCOc1ccc(C)cc1C)C1CC1 539034053 WIGFAUXBOZXWDQ-UHFFFAOYSA-N 287.403 3.639 30 20 CHED CCc1ccc(NCc2cccc(C(=O)OC)c2C#N)cc1 535136326 BVBJXBCCCGKASH-UHFFFAOYSA-N 294.354 3.519 30 20 CHED CCOc1ccc(/C=N/OCc2sc(C)nc2C)cc1 266275056 HSOKERKXULKDPF-CXUHLZMHSA-N 290.388 3.709 30 20 CHED C=CCN(C(=O)Nc1cccc2c1OC(C)(C)C2)C1CC1 530556240 VYMTXCXLXIMSRV-UHFFFAOYSA-N 286.375 3.582 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCC[C@@H]1CC 450482862 DIIKGXPSSDHTCA-GOEBONIOSA-N 275.392 3.663 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1cccc(F)c1)C(C)(C)C 538233149 JRTVXNUWWCNFOZ-HZPDHXFCSA-N 279.399 3.830 30 20 CHED C=CCC1(C(=O)NCCCc2cccc(C)n2)CCCC1 451653687 MXNCVDHXJXYNHW-UHFFFAOYSA-N 286.419 3.575 30 20 CHED CC[C@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 264537782 MAEZCEBJSITMRO-RYUDHWBXSA-N 291.420 3.858 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccccc2OC(C)C)C1 617784685 XLTGXLPZRRBPAR-OAHLLOKOSA-N 287.403 3.902 30 20 CHED CCC(CC)CN(CCC#N)CCCc1ccncc1 360453723 FZCMLQDNLFZJHX-UHFFFAOYSA-N 273.424 3.666 30 20 CHED C#CCCCCC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 271390525 FYNGFLKNALHBAK-OAHLLOKOSA-N 275.779 3.807 30 20 CHED CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl 455703212 MBILNLSLMKLRPH-MNOVXSKESA-N 293.798 3.962 30 20 CHED C[C@@H](NC(=O)Nc1cccc(CC#N)c1)C1CCCCC1 455917420 JUTYTLICHMWVDZ-CYBMUJFWSA-N 285.391 3.843 30 20 CHED C[C@H](CC1CCCC1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618734281 BVLVGPXZRTTXHW-FZKQIMNGSA-N 296.414 3.878 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCC[C@@H](CC)C1 542186527 VQGOJORXJCTXSD-HZSPNIEDSA-N 252.402 3.609 30 20 CHED C[C@@H](CCCc1cccnc1)NCC#Cc1ccc(F)cc1 459636250 KCEXYWRGGJYLPX-INIZCTEOSA-N 296.389 3.573 30 20 CHED C=C(CC)CNC(=O)N(CCc1ccc(F)cc1)C1CC1 459068335 CTZHQZVAFHQXPZ-UHFFFAOYSA-N 290.382 3.508 30 20 CHED C[C@@]1(NCc2cc(C#N)cs2)CCCc2ccccc21 547286331 OFJBPAFOHYMGHQ-QGZVFWFLSA-N 282.412 3.961 30 20 CHED C=C(C)COCCN[C@@H](C)C(C)(C)c1ccccc1 540164460 WCNHQBFBOHUBQF-HNNXBMFYSA-N 261.409 3.535 30 20 CHED C=CCN(C(=O)Cc1csc(C(C)(C)C)n1)C(C)(C)C 622943671 LZVVDWIIDAEIIY-UHFFFAOYSA-N 294.464 3.796 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCO[C@H](C(C)C)C2)c1 271497090 JZVPBXUZGJNNIY-AEFFLSMTSA-N 289.419 3.545 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1nc2c(s1)CCC2 459628117 CORNVZJOLUSNGI-MNOVXSKESA-N 250.411 3.637 30 20 CHED C=CCCN(C)C(=O)Cc1cccc(Cl)c1Cl 279628061 BMGWREDMPMOWJM-UHFFFAOYSA-N 272.175 3.570 30 20 CHED CCc1ccc(N(CC)C(=O)c2ccc(CC#N)cc2)cc1 270277187 RLPVFXNNJYYULH-UHFFFAOYSA-N 292.382 3.982 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CCCCC1 450170360 DFMFIZKEVJIINM-XHSDSOJGSA-N 291.435 3.587 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC=CCC1 455064632 UDTLQZDRDBPRFX-QGZVFWFLSA-N 296.414 3.599 30 20 CHED C[C@H](C#N)C(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 457126869 PYHIIIFCBHRWLV-KYOSRNDESA-N 290.794 3.642 30 20 CHED C=CC(C)(C)CNC(=O)c1sc(C)nc1CC(C)C 452771653 ALSUAHOIPWCZMY-UHFFFAOYSA-N 280.437 3.592 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1C(C)(F)F 455763938 CCXPYVLYGOEQHV-UHFFFAOYSA-N 268.307 3.838 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCO[C@@H](C(C)C)C1 540136719 TUXJOCPZYAOUCC-ARFHVFGLSA-N 253.430 3.915 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1C[C@H]1CC 459012864 IUNPEVIHZVXSGC-HIFRSBDPSA-N 290.382 3.569 30 20 CHED C=CCN(C(=O)c1ccnc(SC(C)(C)C)c1)C1CC1 272524308 QEFXWTZOVAISMM-UHFFFAOYSA-N 290.432 3.763 30 20 CHED C=CCCN(C)Cc1cc(-c2ccncc2)ccc1OC 276112855 IBOKVHMJKPZYAF-UHFFFAOYSA-N 282.387 3.765 30 20 CHED CO[C@@H](c1ccccc1F)[C@H](C)Nc1nc(C)ccc1C#N 271868672 RQOQHEARKDNKCE-BLLLJJGKSA-N 299.349 3.589 30 20 CHED Cc1ccccc1OCCN(C)Cc1ccc(CC#N)cc1 542212108 CZHYWGWJXRQEHS-UHFFFAOYSA-N 294.398 3.572 30 20 CHED CC(C)(C#N)CCN1CCO[C@@H](c2cccc(Cl)c2)C1 274520827 YWBCSSTXDRGXNE-OAHLLOKOSA-N 292.810 3.653 30 20 CHED CC#CCCNC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 541747064 YQZJJSBGRPCELU-DLBZAZTESA-N 293.451 3.672 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)CC)cc1 628691308 GWOUSHULUAZYNS-UHFFFAOYSA-N 259.349 3.820 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)C1(C#N)CCCC1 546159942 PSGPSPOVSMKQJB-CQSZACIVSA-N 270.376 3.565 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc2cc(F)ccc2o1 545211577 APUPKHWGCQPLPC-MRXNPFEDSA-N 288.322 3.630 30 20 CHED N#Cc1ccc(CCc2nc(CC3CCCCC3)no2)cc1 546378575 TWWMKMJWBCRGAH-UHFFFAOYSA-N 295.386 3.849 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)CC 460957310 IAGYMIMEAOMCGA-CYBMUJFWSA-N 278.444 3.678 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](C)c1ccc(F)cc1 467326703 XDEPKDLMVSGDFZ-ZDUSSCGKSA-N 275.367 3.814 30 20 CHED C=CC[C@@H](C(=O)NCC(C)(C)COCC)c1ccccc1 289985931 DANCEGZUAJYBIQ-MRXNPFEDSA-N 289.419 3.525 30 20 CHED C=CCC(CC=C)C(=O)N(CC)c1ccc(OC)cc1 467815159 HWQSWPKGASXGLV-UHFFFAOYSA-N 273.376 3.817 30 20 CHED COC[C@H](C)O/N=C(\C)c1csc(-c2ccccc2)n1 286416654 ORQXFDBISVPKJX-GBTTUNCCSA-N 290.388 3.586 30 20 CHED CC1CCC(NC2(c3cccc(C#N)c3)CC2)CC1 556606573 ZAEMFSOUJCLICA-UHFFFAOYSA-N 254.377 3.716 30 20 CHED CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2cccc(C#N)c2)C1(C)C 463038682 ZIMCCOGURAAPGN-KBRIMQKVSA-N 286.419 3.801 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCc2ccccc21 281532449 YPYHDYUOGIHBCI-HOCLYGCPSA-N 272.392 3.670 30 20 CHED C#Cc1cccc(N(C(=O)c2ocnc2C2CC2)C(C)C)c1 289396714 MNPAQKWLDBJFMP-UHFFFAOYSA-N 294.354 3.589 30 20 CHED C=C(C)CCNc1cccc(NS(=O)(=O)CCC)c1C 288744034 PPDIQZMNXBCSOZ-UHFFFAOYSA-N 296.436 3.525 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1c1cccc(F)c1 280805064 SITIYFBUJKSFAQ-INIZCTEOSA-N 298.317 3.576 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462548870 VDMRTCGHHCAERH-WMLDXEAASA-N 284.403 3.556 30 20 CHED CC[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(C#N)cc1 287183597 CTSDUOSTYWMDJH-ZIAGYGMSSA-N 282.309 3.940 30 20 CHED Cc1cccc(C2(CNC[C@@H](C#N)CCC#N)CCCC2)c1 558506878 RUTAKCIDIDELMH-QGZVFWFLSA-N 295.430 3.840 30 20 CHED C=CCOc1ccc(OCCOc2ccccc2F)cc1 462657351 JJTRVNCHBMWZHG-UHFFFAOYSA-N 288.318 3.848 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(O[C@H](C)CC)cc1 465153460 SHINUOJDUSYJJI-NWDGAFQWSA-N 262.353 3.560 30 20 CHED C=C[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 464759753 YAUBJZGYRHUUMZ-ZMSDIMECSA-N 286.419 3.786 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2cnc(C)s2)CCCC1 637653392 ASHHPCURVIJLDC-LLVKDONJSA-N 293.436 3.701 30 20 CHED CCn1nc(CNc2cccc(C#N)c2C)c2ccccc21 473119996 SNIIIDNSZSYVHN-UHFFFAOYSA-N 290.370 3.848 30 20 CHED Cc1ccc(C)c(NC(=O)CSCCC(C)(C)C#N)c1 289459466 UXMQMUCHAPXKDX-UHFFFAOYSA-N 290.432 3.915 30 20 CHED CCCCCCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] 385736179 ZHPIBCLEDTUVKU-UHFFFAOYSA-N 296.342 3.824 30 20 CHED CC(C)(C)CC1=NN/C(=N/CCc2cccs2)SC1 806549381 RCQWUVKMXSLNML-UHFFFAOYSA-N 295.477 3.775 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(COC(C)C)cc1 806230868 ZFNXARROMVMLMH-OAHLLOKOSA-N 288.391 3.535 30 20 CHED C=CCCCCNC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 474090826 UKXUTLUHHGDZSE-ILXRZTDVSA-N 264.413 3.705 30 20 CHED CC(C)C[C@@H](NCc1ccc(C#N)cn1)c1cccs1 554363956 VHRSCCFRLSQBRM-OAHLLOKOSA-N 285.416 3.892 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(CC#N)cc1 292874947 VDMLKMPRWWWRIP-UHFFFAOYSA-N 293.370 3.832 30 20 CHED C=CCCCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F 568522628 WIHQMMXFQAKDAJ-GFCCVEGCSA-N 288.269 3.754 30 20 CHED CCN(Cc1ccc(C#N)s1)c1ccccc1C 475122205 SVBAKEQKJNIOCZ-UHFFFAOYSA-N 256.374 3.955 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H]1c1cccc(C)c1C 472590482 NIYUZVWPLPGDMT-FUHWJXTLSA-N 273.420 3.767 30 20 CHED C#C[C@H](N[C@H]1CCC[C@@H](c2ncccc2C)C1)C(C)C 809685921 ZOUDZINLAYXVRS-IKGGRYGDSA-N 270.420 3.664 30 20 CHED C=CCOCCCOc1ccc(Oc2nccs2)cc1 478796225 KKIQSVZCAOQRGV-UHFFFAOYSA-N 291.372 3.907 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 569040090 UTYUTFHVAYNKDC-LLVKDONJSA-N 277.343 3.644 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@H]2CCC[C@H]2C)cc1 569679196 BKUQTSLBFQYIRJ-GDBMZVCRSA-N 287.403 3.694 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c(Cl)c1 567136156 VGBSBVMNUSMQIJ-MDZLAQPJSA-N 289.766 3.522 30 20 CHED C[C@H](CCC#N)N(C)Cc1c(F)cccc1Cl 297739384 CZTXDMGPVXSTPV-SNVBAGLBSA-N 254.736 3.603 30 20 CHED C=CCCCOC(=O)c1cc(NC)ccc1Cl 808609280 DBFXDVRPTLZJCJ-UHFFFAOYSA-N 253.729 3.505 30 20 CHED Cc1cc(C(=O)NCc2ccc(C#N)cc2)c(C)cc1Cl 474708884 QNDWTPVEOJIYRE-UHFFFAOYSA-N 298.773 3.759 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cccc(SC(F)F)c1 806252762 KBVVGHUOFZGZOA-VIFPVBQESA-N 284.331 3.535 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(C)nn(C(C)(C)C)c1C 647121165 FSMBLPONKDBZIN-UHFFFAOYSA-N 291.439 3.587 30 20 CHED CCC1(CC)CCN(C(=O)Nc2scc(C)c2C#N)C1 564665197 GQWHHNJEVYNGGG-UHFFFAOYSA-N 291.420 3.972 30 20 CHED CC(=NNc1ccccc1Br)c1cccnc1 812461089 GJNSMVLOCZTTGR-UHFFFAOYSA-N 290.164 3.680 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1F 814190639 IMPXLVWUYSVVHP-VMPITWQZSA-N 296.257 3.502 30 20 CHED CCCCCCCC(=O)NCC(=O)c1c(F)cccc1F 819578004 XTVVKNPKPXQEIG-UHFFFAOYSA-N 297.345 3.624 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@@H]1CCCc2ccccc21 814892768 NPALIAPNVAHYHW-CQSZACIVSA-N 279.330 3.734 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(CC1CC1)CC1CC1 564379166 ULQDLHYFISZJPV-ZDUSSCGKSA-N 288.439 3.604 30 20 CHED CSc1ccc(C=NNCC2(C)CCCC2)s1 814938010 TXLURWOMRQBRRQ-UHFFFAOYSA-N 268.451 3.974 30 20 CHED CCC(=NN[C@H](C)c1ccncc1)c1ccccc1F 819816097 GUMNKXFVQITKJB-GFCCVEGCSA-N 271.339 3.686 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1 486588777 XHQZFTUSTFGUMX-KBAYOESNSA-N 289.382 3.568 30 20 CHED C=C(CC)CN1CCO[C@H](c2ccc(F)cc2Cl)C1 481576730 XEUUNYZUKUFYDQ-HNNXBMFYSA-N 283.774 3.819 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C1CC[C@H]1C1CCC1 814931477 UXAQMGOLZQGJNA-ZDUSSCGKSA-N 273.336 3.881 30 20 CHED N#Cc1cccc(COC(=O)c2cc(F)ccc2Cl)c1 814511421 WEMCIFQRRLWZMI-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 483912713 ONBHWAROQZZYCK-WFASDCNBSA-N 276.767 3.832 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CC2CCC1CC2 482786657 IHNRFNBRJPXRSQ-SSDMNJCBSA-N 268.360 3.632 30 20 CHED C=CCn1c(CC2CCCCC2)nnc1N1CCC[C@H]1C 575029154 ZHCBAZZRHNWBCQ-CQSZACIVSA-N 288.439 3.576 30 20 CHED C=CCOc1ccc(CNC(=O)C2(F)CCCCC2)cc1 810723460 RGZHNWUENIGLDH-UHFFFAOYSA-N 291.366 3.540 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 572539943 QDKRPTUSJVDCOI-GOSISDBHSA-N 291.398 3.926 30 20 CHED CCOC1(C)CCN(c2ccc3cc(C#N)ccc3n2)CC1 572910288 ISABOWFMFBBUMR-UHFFFAOYSA-N 295.386 3.502 30 20 CHED C=CCCC(CCC)=NNc1cncc(Cl)n1 814797661 NDFSLRTYUPZSIA-UHFFFAOYSA-N 252.749 3.664 30 20 CHED CCC(=NOCC(F)(F)F)c1ccc(F)cc1F 814880859 MOUMZVPTHCWXFK-UHFFFAOYSA-N 267.197 3.658 30 20 CHED CC(C)(C)c1nc(C=NOCCC2CC2)cs1 814247105 RHJJQPVNVAVOTR-UHFFFAOYSA-N 252.383 3.591 30 20 CHED Fc1ccc([C@@H]2CCCC2=NNC[C@H]2CCSC2)cc1 811660950 WWSCAQPDZQCORP-DOMZBBRYSA-N 292.423 3.792 30 20 CHED N#CCCC1CCN(CCCc2ccsc2)CC1 575985079 ZTSRAXGFUWNQMZ-UHFFFAOYSA-N 262.422 3.696 30 20 CHED C#CCCOc1ccc(CNc2cc(C3CC3)ccn2)cc1 810175196 GKMKOBNTXAUEDX-UHFFFAOYSA-N 292.382 3.973 30 20 CHED CCc1ccc(C#CC(=O)Nc2cc(C)ccc2OC)cc1 814360623 ODYDDROOKMHPGN-UHFFFAOYSA-N 293.366 3.556 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1C1CCC1 480782692 WSBKZURAUWUVIW-MRXNPFEDSA-N 274.795 3.976 30 20 CHED C=CCCNC1(c2cccc(C(F)(F)F)c2)CC1 570828249 CVKBHPDLGYLVRQ-UHFFFAOYSA-N 255.283 3.860 30 20 CHED C=CCCOCCCCC(=O)NC[C@@H]1CCCC1(C)C 579753221 NBKJRBDGVIUHSY-HNNXBMFYSA-N 281.440 3.692 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)[C@@H]1CCCc2ccccc21 820629421 CHUUEFWLNSUBHT-NVXWUHKLSA-N 284.403 3.507 30 20 CHED C=C(C)CN(CC)C(=O)C/C=C/c1ccccc1F 495198191 ZPGOSLIBCKJJMW-VQHVLOKHSA-N 261.340 3.654 30 20 CHED Cc1[nH]c2ccccc2c1CC/N=C/c1ccccc1O 726890891 MFDVQDXTIXFDFR-XDHOZWIPSA-N 278.355 3.844 30 20 CHED C=C(C)CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 497135632 XUEUXUDENWQUGG-UHFFFAOYSA-N 286.331 3.863 30 20 CHED C=C(C)CNC(=O)CCCC(=O)c1c(C)cc(C)cc1C 490043884 QMSNZJQSGGHGAR-UHFFFAOYSA-N 287.403 3.657 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C=C/c1ccc(O)cc1 492601730 FQLOQIJGORZVSO-JXMROGBWSA-N 299.395 3.682 30 20 CHED CCN(C(=O)/C=C(/C)Cl)[C@H](C)c1ccc(C#N)cc1 900341870 IDYWBMBOYBIYOL-UCQJPZFISA-N 276.767 3.610 30 20 CHED C=CCC1(NC[C@@H](O)[C@@H](C)c2ccccc2)CCCC1 661851379 UGLIVJCNLRZPEB-DOTOQJQBSA-N 273.420 3.630 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1csc(C(=O)O)c1 730149506 XVNDKPVTUKJACN-PLNGDYQASA-N 294.278 3.621 30 20 CHED CC[C@H](N[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1 902920168 SYFKXKRBXHYFBS-KGLIPLIRSA-N 264.319 3.787 30 20 CHED C=CCN(C)C(=O)c1ccccc1OC1CCCCC1 490041713 HCXLRCIGKHTCFW-UHFFFAOYSA-N 273.376 3.656 30 20 CHED N#CCC1CCN(Cc2cccc(C3CC3)c2)CC1 581719762 QVZWBPUVJJRAQS-UHFFFAOYSA-N 254.377 3.690 30 20 CHED O=C(CC1CCCCC1)N(O)Cc1ccc(F)cc1 901376289 SNLZMTVDNCCIGM-UHFFFAOYSA-N 265.328 3.514 30 20 CHED Cc1cc(C#N)cc(NC(=O)C=C(C2CC2)C2CC2)c1 837138819 KQGKHGTZFPSVTQ-UHFFFAOYSA-N 266.344 3.552 30 20 CHED CCCc1nc(C)c(C(=O)Oc2ccc(C#N)cc2CC)o1 839352008 ZTYUIAFTLVBYSJ-UHFFFAOYSA-N 298.342 3.589 30 20 CHED C#CCCCCC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 837139434 PCXYEDCPUXHXRY-QAQDUYKDSA-N 299.414 3.593 30 20 CHED CC[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccncc1 839450047 UVQXPVBECLULEB-RHSMWYFYSA-N 284.359 3.550 30 20 CHED C=CCCOCC(=O)O[C@H]1CCC[C@H]1c1ccc(C)cc1 734085454 BKSIJWNHSVHXRJ-IRXDYDNUSA-N 288.387 3.767 30 20 CHED COC(=O)c1cc(Cl)cc(N=Cc2ccccc2O)c1 735979089 XBYGAQPFCOTGST-UHFFFAOYSA-N 289.718 3.583 30 20 CHED C#Cc1ccc([C@H](OC(=O)C2CCC2)C(F)(F)F)cc1 836081404 VCOGNOJQPIHXGW-ZDUSSCGKSA-N 282.261 3.615 30 20 CHED C=CCCCOC(=O)c1ccccc1NC(=O)C(C)(C)C 735536204 NPGUJFGKINAUGV-UHFFFAOYSA-N 289.375 3.794 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(C)nn(C(C)(C)C)c1C 678881365 ICYYTHJTXLLLLF-LBPRGKRZSA-N 291.439 3.730 30 20 CHED C=CCOC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C 732840088 GCMLSIAEWJCGAD-CYBMUJFWSA-N 297.354 3.574 30 20 CHED C#CCO[C@@H](C)c1nc([C@@H](c2ccccc2C)C(C)C)no1 834737060 GHLMFJCUDONULQ-GOEBONIOSA-N 298.386 3.877 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839046928 SFNIOHUPEQIHJL-ZIAGYGMSSA-N 296.370 3.644 30 20 CHED COc1ccc(Cl)cc1/C=C\C(=O)c1cncc(F)c1 737445577 AZMFSIHUSQPTSF-RQOWECAXSA-N 291.709 3.779 30 20 CHED CCO[C@H]1CC(=NNc2cc(F)c(F)cc2F)C1(C)C 736431170 WYOVBNHUKXRAKR-ZDUSSCGKSA-N 286.297 3.707 30 20 CHED Cc1nc(C)c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 589254904 OZCCGKUUGXLXRG-SJORKVTESA-N 295.386 3.563 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)cc2cccnc12 674975052 HHWGIFZSPOALIR-VIFPVBQESA-N 275.739 3.584 30 20 CHED C#CCC[C@H](C)OC(=O)c1cc(Br)ccc1F 839034490 QIRLDFKRQBHFAI-VIFPVBQESA-N 299.139 3.547 30 20 CHED C=CCC1(CNC(=O)/C=C\c2ccc(C)nc2)CCCC1 836991517 VEYMZYJAGPFNFQ-HJWRWDBZSA-N 284.403 3.656 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(C)cc1Cl 835012666 XVNMWSDXRFYIKE-GFCCVEGCSA-N 266.772 3.863 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 598458180 UFRBAKDUMHVVRV-HNONPPJISA-N 296.414 3.841 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@]12CCC[C@H]1C2 591515471 OBDCEEVZKNXSCI-NHYWBVRUSA-N 274.751 3.535 30 20 CHED CCN(C(=O)c1cc(Cl)c(F)cc1Cl)[C@H](C)C#N 598363997 YIMZBAFHWGNBQP-SSDOTTSWSA-N 289.137 3.507 30 20 CHED CC(C)c1ccoc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839063117 PUMYUCRWAUVPON-NEPJUHHUSA-N 261.321 3.642 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1nc(C)cs1)C(C)(C)C 744011282 ZYAYWKBXCRBITH-WDDYJBPVSA-N 262.378 3.620 30 20 CHED CCC(=NNc1oc(CC(C)C)nc1C#N)[C@H]1C[C@@H]1C 841621853 OEGIRYVAGNBPEU-QWRGUYRKSA-N 274.368 3.579 30 20 CHED C=C(Br)COC(=O)CCCCCCC 919222124 IOVNZYGRHBCMGI-UHFFFAOYSA-N 263.175 3.799 30 20 CHED CC(CCCCC#N)=NNc1ncnc2ccsc12 841631227 WFKRBBXCIXODNV-UHFFFAOYSA-N 273.365 3.563 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccsc1 742376582 YRUOENVSFLXUON-UHFFFAOYSA-N 261.321 3.511 30 20 CHED Cc1ccc2c(OCC3(CC#N)CC3)cc(C)nc2c1 596272713 DUSPNBXBOHTIOV-UHFFFAOYSA-N 266.344 3.924 30 20 CHED CCO[C@H]1CC(=NNc2ccc(Cl)nc2)C12CCCC2 743449966 IGZSLTUWIHNZDM-ZDUSSCGKSA-N 293.798 3.872 30 20 CHED C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 912345526 WFWCPFLYOCPACR-DOMZBBRYSA-N 294.826 3.543 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(C)s1 743450992 WFOMCIBLXSCMJW-UHFFFAOYSA-N 265.769 3.941 30 20 CHED COCCc1ccc(-c2ccc(CC#N)c(C)c2)cc1 592984332 PBFBWGSAFIWHKD-UHFFFAOYSA-N 265.356 3.917 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)Oc1cccc(OCC#N)c1 841343826 JDJPJRXLKQTNRE-OAHLLOKOSA-N 287.359 3.711 30 20 CHED CN(CCC(C)(C)C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 592019984 WPMZFNNTZOVVOF-INIZCTEOSA-N 299.418 3.623 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NCCCC#N 595034946 ZTINGOKCEWBYMB-AWEZNQCLSA-N 250.773 3.554 30 20 CHED C=C(C)CNC(=S)N(CC(C)C)c1cccc(OC)c1 745724331 OSTFGXXPSIBTSP-UHFFFAOYSA-N 292.448 3.608 30 20 CHED Cc1[nH]c2ccccc2c1C=NNCc1ccc(F)c(F)c1 915974798 LUDZZRNKCZUXDQ-UHFFFAOYSA-N 299.324 3.878 30 20 CHED Cc1ccc(CN(C)C(=O)CCCCCC#N)cc1C 590888303 WDSOZWLYJFOSLB-UHFFFAOYSA-N 272.392 3.736 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 744660022 YFLXHLJYTUKSJX-SJORKVTESA-N 294.483 3.822 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2c(C3CC3)cnn2C)c(O)c1 849248077 KATFGIWGWDDFLZ-SREVYHEPSA-N 296.370 3.516 30 20 CHED C=C(C)CCOC(=O)c1ccc(OC(F)(F)F)cc1 744305130 NYMPHGCLPXQNIN-UHFFFAOYSA-N 274.238 3.708 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 845626882 ZPJWAUKSBJYOSI-MLGOLLRUSA-N 288.391 3.603 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCOc2cc(F)ccc2C1 599688210 XDWRKHFJTKTQIN-CYBMUJFWSA-N 296.345 3.653 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)n(C)n1 841486670 DRQJXNFJIQLUQS-MDZDMXLPSA-N 280.371 3.503 30 20 CHED CC1CCC(=CC(=O)N(C)c2ccc(C#N)cc2)CC1 749151817 YFDWMECOEAVZNR-UHFFFAOYSA-N 268.360 3.658 30 20 CHED CCCCCC[C@@H](C)NN=C(C)c1cnc(C)nc1C 743450396 KEQDSXLDBYNUSL-GFCCVEGCSA-N 276.428 3.766 30 20 CHED CCCc1ccc(CCCC(=O)N[C@H](CC)CC#N)cc1 592790615 QXOYEUVUTNAUFX-QGZVFWFLSA-N 286.419 3.770 30 20 CHED CCCCCCCCOCC(=O)N1CCCCCC1 741514122 VFEWYLCRQCBHLZ-UHFFFAOYSA-N 269.429 3.766 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1ccc(Cl)cc1 841257591 SIAINPMNEGOFNB-NSHDSACASA-N 268.740 3.537 30 20 CHED CC(C)CN(CCC#N)C(=O)Cc1cccc(C2CC2)c1 840293552 YFSDKWDGAJFSBR-UHFFFAOYSA-N 284.403 3.505 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 597351044 NTNBNALWTQOZHE-IKGGRYGDSA-N 298.430 3.700 30 20 CHED C/C(=C/C(=O)OCc1cc(C#N)ccc1F)C(C)(C)C 745597806 BLEDZVISSLKSEL-XFFZJAGNSA-N 275.323 3.733 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccnc(C)c1 598596785 TYSOHAWVRNUANA-UHFFFAOYSA-N 259.397 3.542 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ncoc1C 847744779 XIODVWPTAJTCDH-KGYLQXTDSA-N 263.337 3.521 30 20 CHED C[C@@H](NCCCCC#N)c1cc(-c2ccccc2)no1 924943224 TZRJHVXHXKFOBJ-CYBMUJFWSA-N 269.348 3.686 30 20 CHED C#C[C@@H](OC(=O)c1cc(C)n([C@H](C)CC)n1)c1ccccc1 842392001 WSTDNYGYWXLLOG-CXAGYDPISA-N 296.370 3.694 30 20 CHED N#Cc1cc(C(=O)N2CCC3(CCCC3)C2)ccc1Cl 754320016 MHBZDBRZYADWTD-UHFFFAOYSA-N 288.778 3.618 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1CCC(F)(F)C1)c1ccccc1 681666338 SNTIRCJGTJVKMP-ZIAGYGMSSA-N 279.330 3.650 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](C)[C@H](CO)C1 857364843 MCCOVSMKRCOMNG-SJORKVTESA-N 297.483 3.994 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCc1cccc(F)c1F 851209774 JXUZEIKXJIJVPW-LLVKDONJSA-N 295.329 3.769 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(Cl)c(OC)cc1OC 929276952 OZANLGOKGARNGF-SNVBAGLBSA-N 297.782 3.898 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(C(F)F)cc1 684768127 ZHBOIUDTKAYAMV-CABCVRRESA-N 281.346 3.695 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)[C@@H](C)CCCOC 851144919 UULXHVMOMYCTQA-RRFJBIMHSA-N 268.397 3.727 30 20 CHED CC(=NNc1ccnc(Cl)c1)c1cnn(C(C)C)c1C 853395318 STEYNSSOZZGIII-UHFFFAOYSA-N 291.786 3.657 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCCN1CCCC[C@H]1C 924687133 NSRAGTMURBPIFC-JKSUJKDBSA-N 279.472 3.559 30 20 CHED C#C[C@H](CC)NC(=O)Nc1nc(C)c(-c2ccccc2)s1 752972400 BLXCFBGMZPXBHG-CYBMUJFWSA-N 299.399 3.652 30 20 CHED C#CCCCC(=O)OCc1csc(CCC(C)C)n1 759174301 RKDBOYROCGVWQS-UHFFFAOYSA-N 279.405 3.578 30 20 CHED COc1cc(C)c(/C=C\C(=O)c2ccccc2O)cc1OC 757475344 RTCKDMTYNHZCCQ-HJWRWDBZSA-N 298.338 3.614 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2ccc(F)cc2F)c1 757467568 GSQQKZBOJRQVRH-UTCJRWHESA-N 290.265 3.575 30 20 CHED CC1(C)C[C@@]1(C(=O)[C@H](C#N)c1ccccn1)c1ccccc1 850755539 GBFFBRRXYLXUIM-BEFAXECRSA-N 290.366 3.626 30 20 CHED CN(CCCCC1(C#N)CCC1)C(C)(C)CN1CCCC1 930745450 YIESTQZHCHDINY-UHFFFAOYSA-N 291.483 3.657 30 20 CHED N#CC1(c2ccc(-c3cccc4nonc34)s2)CCC1 854204135 WODGPLXPUVIVGP-UHFFFAOYSA-N 281.340 3.897 30 20 CHED CCCn1nc(C)c(C=NNc2c(F)cccc2F)c1C 755733316 OOBITBXIVMBGMH-UHFFFAOYSA-N 292.333 3.634 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 31089016 HEXJRIHZNDHFHD-ZFWWWQNUSA-N 271.364 3.649 30 20 CHED Cc1cc(C(=O)OCCCCC(C)(C)C#N)ccc1O 768843964 UJLWNAAFODZWMV-UHFFFAOYSA-N 275.348 3.578 30 20 CHED N#CC1(OC(=O)C2CCC(c3ccccc3)CC2)CCC1 762095483 SHVFGORTPQLNLU-UHFFFAOYSA-N 283.371 3.950 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1Cl)c1cscn1 761481934 ZIOFFSLYQFYIHO-HNQUOIGGSA-N 285.155 3.741 30 20 CHED CC(=NOCC(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 761274329 SHANQAFOVQQWLA-LBPRGKRZSA-N 278.352 3.822 30 20 CHED C=C(Cl)CNC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 762985464 ULILEGMZHCZLBH-SNVBAGLBSA-N 296.802 3.606 30 20 CHED C#Cc1ccc(NC(=O)N[C@@H](CC)CC(F)(F)F)cc1 934929162 MVAUPJHCLJXTHA-NSHDSACASA-N 284.281 3.520 30 20 CHED Cc1cc(C)nc(NN=CCc2ccc(C(C)C)cc2)n1 760244570 UOJAXOYTFDEZKD-UHFFFAOYSA-N 282.391 3.857 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCc2ccon2)cc1 766420511 HYDTVTNVQIIDTI-LBPRGKRZSA-N 292.766 3.657 30 20 CHED C=CCCN(C)C(=O)/C=C/c1ccc(SC)s1 861215587 OHWRDZKTHMPCJA-SOFGYWHQSA-N 267.419 3.518 30 20 CHED N#CC1(CCN[C@@H](c2ccccn2)C2CC2)CCCCC1 932382716 AXOINTNNPBDTBG-QGZVFWFLSA-N 283.419 3.986 30 20 CHED Cc1cccc(NN=Cc2ccc(Br)o2)c1 864336927 XUZSZVJHRBMGOT-UHFFFAOYSA-N 279.137 3.797 30 20 CHED C=C(CC)COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 762981444 TYEBVJGAWZFQJT-UHFFFAOYSA-N 295.310 3.521 30 20 CHED C#CCCc1noc(/C=C/c2ccccc2O[C@H](C)CC)n1 762010226 IQEKQXJVVSQPJA-XTZCOPOCSA-N 296.370 3.983 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCCC3)C1 931825611 DIYIDKYLPUSWSO-AWEZNQCLSA-N 297.402 3.723 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C[C@H]1CCC[C@H](C)C1 767151577 BUQOXSVOVQWXPX-STQMWFEESA-N 289.341 3.617 30 20 CHED CCCCCCCCCC(=O)NCc1conc1C 868665316 RGRLAPIFAOLNSK-UHFFFAOYSA-N 266.385 3.740 30 20 CHED Cc1cccnc1NN=Cc1nc2ccc(F)cc2s1 761829814 BNESZDUSWAFOHX-UHFFFAOYSA-N 286.335 3.585 30 20 CHED CCc1c(C(C)=NNc2cnn(C)c2)oc2ccccc12 761865841 FHCSNXTWSCNNGQ-UHFFFAOYSA-N 282.347 3.565 30 20 CHED C[C@H](N[C@H](C)Cc1cccc(F)c1)c1cccc(C#N)c1 766348754 BFBACJOQIPHAIY-KGLIPLIRSA-N 282.362 3.979 30 20 CHED CCCC[C@@](C)(F)c1nnc(-c2cccc(C#N)c2)o1 1118432303 DIYYCZVBHXBSDP-OAHLLOKOSA-N 273.311 3.983 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1cncc(Cl)n1 766689806 GGDMAIGICYDCOB-JTQLQIEISA-N 286.766 3.762 30 20 CHED C#CCCOc1ccc(CN(CC2CC2)CC2CC2)cc1 769450963 KBEWIUNOHSXDND-UHFFFAOYSA-N 283.415 3.711 30 20 CHED CCCn1cccc1C=NNCc1cnc2ccccc2c1 764779354 SOICFSJSZICUNQ-UHFFFAOYSA-N 292.386 3.570 30 20 CHED C[C@@H](c1noc(Cc2cccc(OCC#N)c2)n1)C(C)(C)C 762150151 XBEXRNWRDMSCNF-LBPRGKRZSA-N 299.374 3.712 30 20 CHED N#CCCCCCC(=O)Oc1cc(F)cc(Cl)c1 875880283 MRDQDEVQFUJIDK-UHFFFAOYSA-N 269.703 3.859 30 20 CHED C#CCCCCCCNCc1cc(F)cnc1Cl 877555942 HJUWIJGSIDKHGC-UHFFFAOYSA-N 268.763 3.547 30 20 CHED C#CCN(C(=O)C[C@@H]1CCC[C@H]1C)C1CCCCC1 769435014 JTTZTFMZLXDJIQ-CABCVRRESA-N 261.409 3.607 30 20 CHED CC(CCCC(C)C)=NNc1ncccc1[N+](=O)[O-] 764696359 JYLKXEITCMHEDR-UHFFFAOYSA-N 264.329 3.604 30 20 CHED CN(C(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(C#N)c(Cl)c1 876167574 TYJUUJRJDQYOHK-NHAGDIPZSA-N 288.778 3.611 30 20 CHED CC1(C)CC(=NNc2nc3ccccc3s2)CCO1 872325126 DFCDXZFIIHRWGF-UHFFFAOYSA-N 275.377 3.653 30 20 CHED C=CCSc1ccccc1C(=O)N1CCSC[C@H]1C 776847366 UNCDBLVNQSNVMB-GFCCVEGCSA-N 293.457 3.542 30 20 CHED C#CCCCCC(=O)N(CCc1ccccc1)CC(C)C 773232597 SAKDEYWEAPKBIR-UHFFFAOYSA-N 285.431 3.907 30 20 CHED C#C[C@@H](C)NC(=O)C1(c2c(Cl)cccc2Cl)CCC1 772586874 CIYNINSPAXHVJR-SNVBAGLBSA-N 296.197 3.553 30 20 CHED N#Cc1ccnc(/C=C\c2c[nH]nc2-c2ccccc2F)c1 1116907437 MTMFFWYPWWQUTD-WAYWQWQTSA-N 290.301 3.653 30 20 CHED C#CCCCCN[C@H](Cc1ccc(C)cc1)C1CC1 773039889 YULYLSJFIUWTQY-GOSISDBHSA-N 255.405 3.709 30 20 CHED C#CCN[C@H](C)c1ccc(OCCCCC)c(OC)c1 775112352 KDROFPYEJZFQQU-CQSZACIVSA-N 275.392 3.548 30 20 CHED CS[C@@H](C)CCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 773762018 XVLXNCXGMSCIPJ-JSGCOSHPSA-N 298.411 3.943 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)cc1OC 772909088 GNAIRRBNXAJQSN-UHFFFAOYSA-N 253.729 3.643 30 20 CHED CC1(C)CCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1 773986552 CFMREAOUANVLGJ-NEPJUHHUSA-N 282.343 3.830 30 20 CHED C=CC[C@H](NC(=O)C1=CCCCCC1)c1ccncc1 772998915 YKGCZLGPTQCZON-INIZCTEOSA-N 270.376 3.706 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2ccc(C#N)s2)[C@@H]1C 779271819 AYRVSWYBNNKDCE-FOGDFJRCSA-N 263.362 3.601 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](c1ccccn1)C1CC1 1123713762 GXYHSLXDPGJFTB-DOTOQJQBSA-N 299.418 3.673 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OC1(c2ccccc2)CC1 781750545 LQGHWVSMOFHYQY-ZHACJKMWSA-N 289.334 3.804 30 20 CHED C[C@@H]1CCCC[C@H]1OCCNc1nc(Cl)c(C#N)s1 787898125 XZGWJTHRXFQORO-NXEZZACHSA-N 299.827 3.675 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](c3ccc(OC)cc3)C2)CC1 888632476 RKGIEFKIASAOOE-KRWDZBQOSA-N 299.414 3.758 30 20 CHED O=C(O)c1ccc(NN=C2CC(c3cccc(F)c3)C2)cc1 781573970 LQXRTFCYYXKROX-UHFFFAOYSA-N 298.317 3.869 30 20 CHED C[C@H](OC(=O)c1ccccc1CC#N)c1ccc(C#N)cc1 782602967 BZJZHRLEQZLYFB-ZDUSSCGKSA-N 290.322 3.542 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(C#N)cs2)CC1 1128211465 PVFZXJBOXCVTPU-KBPBESRZSA-N 290.432 3.954 30 20 CHED CC[C@@H]1CCC[C@@H](C=NN2Cc3ccccc3C2=O)C1 783867547 QNKCMKWTVPUSIN-ZIAGYGMSSA-N 270.376 3.845 30 20 CHED C[C@H](ONC(=N)c1cccc(Cl)c1)c1cccc(C#N)c1 789740522 XRZKBFNIFIJNTO-NSHDSACASA-N 299.761 3.819 30 20 CHED C=CCc1cc(CNC23CCC(CC2)C3)cc(OC)c1O 784642782 AFIWSXIYDDXROW-UHFFFAOYSA-N 287.403 3.552 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1c(C)noc1C1CC1 783891674 REGNYHOHNGKRQO-UHFFFAOYSA-N 296.370 3.689 30 20 CHED CC(=NNCCC(C)(C)C)c1c(Cl)nc2sccn12 782903492 WHECFJJATPZBGC-UHFFFAOYSA-N 298.843 3.799 30 20 CHED CCc1nc(C)c(C(=O)OCCCC(C)(C)C#N)s1 783306538 UPRAIEOEFSLWMZ-UHFFFAOYSA-N 280.393 3.501 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCCCS1)c1ccc2ccccc2n1 783340957 LLCOOPNFPUXRHQ-BBRMVZONSA-N 296.395 3.697 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)ccc1N1CCCC1 798550621 CFRNTWXRWQEQOT-HNNXBMFYSA-N 286.419 3.680 30 20 CHED C#CCN(CCCc1ccc(C)nc1)Cc1ccc(F)cc1 792797343 WMJIMROYGQMXGU-UHFFFAOYSA-N 296.389 3.597 30 20 CHED Cc1oc(C#N)cc1C(=O)OC1CCC(C)(C)CC1 797960604 XDIWTSKZXNXGSO-UHFFFAOYSA-N 261.321 3.585 30 20 CHED Clc1cccc(NN=Cc2sccc2Cl)n1 793175301 SEXOEUMQEVUOOJ-UHFFFAOYSA-N 272.160 3.896 30 20 CHED FC(F)(F)c1csc(NN=C[C@@H]2CCCSC2)n1 794919495 ZWKRIOLSYCGXCH-ZETCQYMHSA-N 295.355 3.703 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc(C(F)F)cc1 794451641 AGQORYGDTAIOFA-UHFFFAOYSA-N 291.257 3.978 30 20 CHED C=C(Br)CNCc1ccc(CCC)s1 1200243023 COIXIKLJPHWYLU-UHFFFAOYSA-N 274.227 3.699 30 20 CHED CCCCCCCOC(=O)C[C@H]1CCC(=O)[C@@H]1C 796230997 GLOJLBUYAVAVMA-CHWSQXEVSA-N 254.370 3.505 30 20 CHED COc1ccccc1CON=C1CCc2cc(F)ccc21 799117926 OQTGBSPVCGKTOQ-UHFFFAOYSA-N 285.318 3.701 30 20 CHED CC1=CCCN(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 797794743 CHILTKCHAFDLDC-UHFFFAOYSA-N 291.807 3.560 30 20 CHED C[C@@H](C#N)CN(C)Cn1cc(-c2ccccc2)oc1=S 1318040216 XGSFEOYLJSREEW-LBPRGKRZSA-N 287.388 3.527 30 20 CHED N#Cc1cc(=NC[C@@H]2CCCC[C@@H]2c2ccccc2)cc[nH]1 1163305181 IGCVJWXELPEYIQ-QFBILLFUSA-N 291.398 3.761 30 20 CHED CCN(CCC#N)Cn1cc(-c2ccccc2)oc1=S 1318121762 CVBPFZSNJDDDKK-UHFFFAOYSA-N 287.388 3.671 30 20 CHED C[C@@H](c1ccco1)N(Cc1ccc(C#N)cc1)C1CC1 86235188 VUUQOECFIYFLQX-ZDUSSCGKSA-N 266.344 3.877 30 20 CHED C=CCn1cnnc1SCCc1c(F)cccc1Cl 1318019465 PIKXMIWLVOCCQO-UHFFFAOYSA-N 297.786 3.591 30 20 CHED C=CCCCOC(=O)c1ccc(F)c(C(F)(F)F)c1 735532555 OFJDVHMVTREMIV-UHFFFAOYSA-N 276.229 3.968 30 20 CHED C=CCCCOC(=O)CSc1ccc(Cl)cc1 735529096 VICUBCJMTFHQIE-UHFFFAOYSA-N 270.781 3.942 30 20 CHED C=CCCCOC(=O)CCOc1ccc(C)c(C)c1 735528042 MWIWVZXKILWZDJ-UHFFFAOYSA-N 262.349 3.582 30 20 CHED Cc1cc(CSCCCCC#N)ccc1N(C)C 1328748296 CKCFGGBFYVLHPJ-UHFFFAOYSA-N 262.422 3.988 30 20 CHED CSc1ccccc1C(C)=NNCCC(F)(F)F 1327030933 GUSJIJGIGBPXNA-UHFFFAOYSA-N 276.327 3.675 30 20 CHED CN(C)c1ncccc1/C=C/C(=O)c1c[nH]c2ccccc12 1326689779 KOMHQWOQVJRPDE-MDZDMXLPSA-N 291.354 3.525 30 20 CHED C=C[C@H](COC)NCc1ccc(SC(F)(F)F)cc1 1321238914 DHVQATSJMOLPAX-LLVKDONJSA-N 291.338 3.589 30 20 CHED C=CCN(Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C 595764316 AEFBCIDFLBDWEB-UHFFFAOYSA-N 266.316 3.520 30 20 CHED C=CCCCCC[C@H](C)NCCC(=O)N1CCC[C@@H](C)C1 1323409815 PDNQYUXBLCPANP-SJORKVTESA-N 294.483 3.750 30 20 CHED C[C@H]1CN(Cc2ccc(CC#N)cc2)CC(C)(C)C1 570152542 WZSOEYSQKMQLJZ-CQSZACIVSA-N 256.393 3.621 30 20 CHED Cc1cc(OC(=O)[C@@H](C)OC2CCCCC2)ccc1C#N 1339109258 DSUJVCUIBXHBEE-CYBMUJFWSA-N 287.359 3.510 30 20 CHED Cc1cc([C@H](C)NC(=O)c2cc(C#N)ccc2C)c(C)o1 1333592240 QCHCEFBOYIBAPR-LBPRGKRZSA-N 282.343 3.568 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N1CCC[C@H]2CCC[C@@H]21 1262958295 XFIXFMKIGRWFIM-ZBFHGGJFSA-N 298.434 3.667 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)c1noc(C)n1 1347237953 HYKKYGMCFBPSOO-NEPJUHHUSA-N 251.374 3.554 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1nc(C(C)C)oc1C 1262809501 GVBZVIVGWDTCIW-CYBMUJFWSA-N 276.380 3.677 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H]1CCSc2ccccc21 1346917221 JFYNYUJORSRUPW-IUODEOHRSA-N 275.373 3.707 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 1264923714 OZZNSDUZXYHFPC-FZMZJTMJSA-N 274.339 3.852 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)c1noc(C)n1 1347237955 HYKKYGMCFBPSOO-RYUDHWBXSA-N 251.374 3.554 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2occc2-c2ccccc2)C1 1344604794 CEYGZVOKOFXCIE-GXTWGEPZSA-N 281.311 3.796 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 1351101773 SDTKGYIDNBBOOD-UHFFFAOYSA-N 269.348 3.618 30 20 CHED N#Cc1cc(NC(=O)Cc2cccc(C3CC3)c2)ccc1F 1435017128 PWVCDQDCTNFEKU-UHFFFAOYSA-N 294.329 3.756 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1457196021 XLICARGALZCYKS-BJJXKVORSA-N 271.360 3.989 30 20 CHED N#C[C@H](C(=O)CC1CCC1)c1nc2cccc(Cl)c2[nH]1 1520067988 BCXUWOUIKXJBIR-SNVBAGLBSA-N 287.750 3.583 30 20 CHED CN(Cc1cc(Cl)ccc1OCC#N)c1ccsc1 1460326184 LKNPNLWOEUMWAJ-UHFFFAOYSA-N 292.791 3.940 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2ccccc2C2CC2)c1 1602549875 FIBGMULWYYXJLD-FPLPWBNLSA-N 282.295 3.751 30 20 CHED CC[C@@H]1CN(Cc2ccc(CC#N)cc2)c2ccccc2O1 1473194693 IWYHEFLDSRAEBZ-QGZVFWFLSA-N 292.382 3.930 30 20 CHED C=C(Cl)COc1ccc(Br)c(OC)c1 1614663580 QIYJEGHPMRXBKR-UHFFFAOYSA-N 277.545 3.589 30 20 CHED N#Cc1nccc(Oc2cccc(Oc3ccccc3)c2)n1 1639188507 BEJZDHISBSERDM-UHFFFAOYSA-N 289.294 3.933 30 20 CHED C=C(Br)Cn1nc(-c2ccccc2)nc1Cl 1652221162 BHMFZVBEIGYVDU-UHFFFAOYSA-N 298.571 3.507 30 20 CHED C[C@]1(CN2CCC(CC#N)CC2)C[C@@H]1c1ccccc1 1652188052 ZJLPEMNGGATPGW-QZTJIDSGSA-N 268.404 3.806 30 20 CHED C=CCN(Cc1cccs1)Cc1ccc(C(=O)O)s1 1588831773 PGALUPVRGIDCHW-UHFFFAOYSA-N 293.413 3.696 30 20 CHED N#Cc1ccc(S[C@@H]2CCOc3ccccc32)nc1 1655253957 SRJWBEYIENJEAA-CQSZACIVSA-N 268.341 3.569 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1sccc1C#N 1663159300 HVCZTIABOBURTE-PWSUYJOCSA-N 291.420 3.956 30 20 CHED C=C[C@H]1CCCC(=NNc2cccc(C(=O)O)c2C)C1 1776089479 UHCZLLVKDXNCRY-LBPRGKRZSA-N 272.348 3.837 30 20 CHED Cc1cccc2c1C(=NNc1cccc(C(=O)O)c1C)CC2 1776088359 HAPPYJRNHYEPCR-UHFFFAOYSA-N 294.354 3.764 30 20 CHED O=C(O)Cc1ccc(NN=C/C=C/c2cccc(F)c2)cc1 1776085945 TYPLCSQJJUHEJK-GFNUMTGTSA-N 298.317 3.564 30 20 CHED C[C@@H](CC(=O)OCc1cc(C#N)ccc1F)c1ccccc1 13158644 HFORVECFRHOQEM-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2ccc(C#N)cc2)o1 16433609 ZUUSYIZIRKDZFR-GUYCJALGSA-N 280.371 3.907 30 20 CHED N#Cc1cccc(SCC(=O)c2cc(F)ccc2F)c1 158650024 DRIAFZFGDJKFIU-UHFFFAOYSA-N 289.306 3.811 30 20 CHED Cc1cccc(NC(=O)[C@H](C)Sc2cccc(C#N)c2)c1 158674372 IRRRIQKVFAQNCQ-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED N#Cc1cc(NCc2cc3ccccc3o2)ccc1[N+](=O)[O-] 165738946 PLFPDGGQVLXRMZ-UHFFFAOYSA-N 293.282 3.825 30 20 CHED C=CCCSCC(=O)Nc1ccc(C)cc1Cl 151962999 JBAQJRSVTHKMFJ-UHFFFAOYSA-N 269.797 3.896 30 20 CHED CC(C)[C@@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 153170777 VTLHODLCCDZFAB-GOEBONIOSA-N 272.392 3.830 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)c1noc(C)n1 153334838 SPSVJXRILVECMM-LBPRGKRZSA-N 281.400 3.696 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ccccc1Oc1ccccc1 153558686 CHIYZQQMNWQMIF-ZDUSSCGKSA-N 295.342 3.903 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(C)C2(C#N)CCC2)cc1 157034018 JRSLYARHNLHTDY-CQSZACIVSA-N 284.403 3.647 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC(=O)C[C@H]1C 156427138 AUYIHMWREILSIY-RHSMWYFYSA-N 291.435 3.587 30 20 CHED C[C@@H](NC(=O)C(C)(C)C1CCCC1)c1ccc(C#N)cc1 157443472 MQAODUDRELJBSA-CYBMUJFWSA-N 284.403 3.952 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(C)cc(N(C)C)cc1C 156713253 VRXPECFVFRHNIR-UHFFFAOYSA-N 289.423 3.799 30 20 CHED COCc1ccccc1NCC#Cc1ccc(Cl)cc1 154765855 YNVIOCUGFFXSGC-UHFFFAOYSA-N 285.774 3.950 30 20 CHED CCCCCCCCCN(C)Cc1cccc(O)n1 933398267 ATCGNGXEVNXMHS-UHFFFAOYSA-N 264.413 3.970 30 20 CHED N#Cc1ccc(-c2nc(-c3ccccc3Cl)no2)s1 226760722 NFLPEQOSTDJGFL-UHFFFAOYSA-N 287.731 3.990 30 20 CHED CCCCCCCCNCc1cccc(C(=O)O)c1 232930953 XAPRWKWJKSWBSJ-UHFFFAOYSA-N 263.381 3.835 30 20 CHED C[C@H](CCc1ccco1)Nc1nccc(C#N)c1Cl 235454211 OOGHCIGHHINWCA-SNVBAGLBSA-N 275.739 3.633 30 20 CHED CCCCCCCCNc1ncc([N+](=O)[O-])cc1C#N 159392134 ZXENMHJNJJWNKU-UHFFFAOYSA-N 276.340 3.634 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC([C@H]2CCCO2)CC1 276012289 MGNZOOLOPIPLBQ-MRXNPFEDSA-N 290.794 3.607 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc2cc[nH]c12 179776843 MJJXSRWAYDVARN-GFCCVEGCSA-N 256.349 3.643 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cnoc1C 348205368 JZKLFNYZHYEQMW-UHFFFAOYSA-N 256.349 3.561 30 20 CHED C=CCC[C@@H](CO)NCc1cc(-c2ccccc2)cs1 320294148 QWNUHYYELYYVRY-INIZCTEOSA-N 287.428 3.832 30 20 CHED CCCCCCC[C@H](C)NC1C[C@@H]2CC[C@H](C1)N2C 322407018 XKJQXPUWFSRQKZ-XYTVBORESA-N 266.473 3.950 30 20 CHED C=CCC(C)(C)CNCc1ccc(-n2ccnc2)cc1 336834722 SARZZJVNNGEVBI-UHFFFAOYSA-N 269.392 3.564 30 20 CHED N#Cc1csc(CNc2cnc3ccccc3c2)c1 93686145 WNZJUTFAPUDELB-UHFFFAOYSA-N 265.341 3.780 30 20 CHED COc1ccc(CN2CCC[C@@H]2CC(C)C)cc1C#N 396871806 OMCBCVKXJXCGRR-MRXNPFEDSA-N 272.392 3.577 30 20 CHED C[C@@H](CC(=O)N1CCC[C@H](CC#N)C1)CC(C)(C)C 397571182 CMRRASDWDCXWFZ-UONOGXRCSA-N 264.413 3.601 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cc(F)ccc1O 398144522 BEKXTMMXJGMVAS-RYUDHWBXSA-N 251.345 3.927 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNCc2ccccc2)o1 732764411 FFETYGWSDGIVSO-IUODEOHRSA-N 254.333 3.527 30 20 CHED C=C(Br)CN(Cc1ccccc1)CC(F)F 749114369 BYFWXBBTTHRUEA-UHFFFAOYSA-N 290.151 3.662 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccc(C#N)cc1Cl 796641348 PDUHGXILAHYETR-UHFFFAOYSA-N 294.785 3.847 30 20 CHED N#Cc1ccccc1COC(=O)/C=C/Sc1ccccc1 7529799 MAFXQYGDLDPVBP-ZHACJKMWSA-N 295.363 3.907 30 20 CHED CCCCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 8115132 NDMZDBVPUDQNHH-UHFFFAOYSA-N 294.354 3.989 30 20 CHED C[C@@H]1CC(=O)c2c(OCc3cccc(C#N)c3)ccc(F)c21 14369362 WLWVRYCPHNPOOS-LLVKDONJSA-N 295.313 3.966 30 20 CHED N#CCc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 15612383 IHLJRDHYMSEURU-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CCOc1cccc(CNc2ccccc2C#N)c1 37678208 HTNVTHJLZDXDPY-UHFFFAOYSA-N 252.317 3.569 30 20 CHED Cc1csc([C@H](C#N)C(=O)CCCc2cccs2)n1 41521530 XZXNQRQSHCRBMT-GFCCVEGCSA-N 290.413 3.712 30 20 CHED CCCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 41536187 IIQDMUDZYMZKIW-GFCCVEGCSA-N 270.357 3.786 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc(C(C)(C)C)cs1 44766623 PJPYDRALQSWPCE-UHFFFAOYSA-N 279.409 3.709 30 20 CHED CN(Cc1ccccc1F)c1cccc(Cl)c1C#N 48727827 XCCRQVQVGGWVQA-UHFFFAOYSA-N 274.726 3.987 30 20 CHED Cc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 49882739 PJNBOBSHCWIIRO-OAHLLOKOSA-N 284.746 3.643 30 20 CHED C[C@H](CCc1ccco1)Nc1snc(Cl)c1C#N 51380835 ZPJAQYORESQPPI-MRVPVSSYSA-N 281.768 3.694 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc2c(c1)CCCC2 52753414 FALMRKOTPDJFOX-CQSZACIVSA-N 296.414 3.827 30 20 CHED CCCN(CC#N)CCOc1ccc(C(C)C)c(C)c1 58909414 PFELYZSMVFFAEV-UHFFFAOYSA-N 274.408 3.733 30 20 CHED CCN(Cc1csc(-c2ccccc2)n1)C[C@@H](C)C#N 60569245 XVMHGBVUFVPCOT-ZDUSSCGKSA-N 285.416 3.792 30 20 CHED C=CCN(CCc1ccccc1)c1ncnc2ccsc12 65945621 PWRKEFADBMRULZ-UHFFFAOYSA-N 295.411 3.926 30 20 CHED Cc1cc(C)c2c(c1)N(C(=O)c1cccc(C#N)c1)CCC2 66476867 BUUHOIGRTKKSMC-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C[C@@H]1CC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 70114021 ZMIWOJHHTCTMMV-WZRBSPASSA-N 273.336 3.703 30 20 CHED N#Cc1ccc(N2CCc3ccccc3CC2)cc1Cl 71202929 ZHWRIIAFAZGQEI-UHFFFAOYSA-N 282.774 3.817 30 20 CHED CN(C(=O)Nc1ccc(CC#N)cc1)C1CCCCCC1 76083842 HDAIRECTNAKFPI-UHFFFAOYSA-N 285.391 3.939 30 20 CHED CC(C)(C)C(=O)CSCc1cn2ccccc2c1C#N 83097738 FQACUXPMJOAFNQ-UHFFFAOYSA-N 286.400 3.659 30 20 CHED CCC[C@@H](CC)NC1CC(C#N)(c2ccccc2)C1 86037917 KYZRZJXNPQBWEV-KLAILNCOSA-N 256.393 3.779 30 20 CHED N#Cc1cccc(Cl)c1NCCCOCC(F)(F)F 91453113 XFMCJKAYKVYHKY-UHFFFAOYSA-N 292.688 3.593 30 20 CHED N#CCCN(Cc1ccccn1)C[C@@H]1C[C@H]1c1ccccc1 93100518 HDVYRUXCRZNPGE-HKUYNNGSSA-N 291.398 3.601 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCCC(C)(C)CC2)cc1 93660284 IEPHCTUBJFMRRM-HNNXBMFYSA-N 286.419 3.990 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)s1 97334376 ABKGDSFSFZQWJG-WAYWQWQTSA-N 272.325 3.681 30 20 CHED CC(C)(C)CCCCNC(=O)C1(C#N)CCCCC1 104441755 UTQABYJSGINRLF-UHFFFAOYSA-N 264.413 3.793 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc2c(c1)CCC2 104626656 QETXHLSWEUOPMJ-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(c1)CNCC2 111891478 MGFAJWCYMXEBSW-UHFFFAOYSA-N 274.408 3.631 30 20 CHED C=CC1CCN(C(=O)C[C@H](C)c2cccc(F)c2)CC1 116023580 VHSBDIDZCSWCLR-ZDUSSCGKSA-N 275.367 3.744 30 20 CHED C=CC[C@@H](C)NCc1ccc(OC)c(Br)c1 116927479 XGXLCRUHMZGDLR-SNVBAGLBSA-N 284.197 3.512 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@H]1CCCCC1(C)C 120845081 PQZFGZIYUOKLCR-CJNGLKHVSA-N 264.413 3.647 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 122520987 YQNRDUJYGRSPDK-RDJZCZTQSA-N 286.375 3.744 30 20 CHED C=CCCCCCN(C)C(=O)c1cccn1C(C)C 122604728 UTXWPYGEKSZHQN-UHFFFAOYSA-N 262.397 3.887 30 20 CHED Cn1ncc(Cl)c1/C=C1/Cc2cc(Cl)ccc2C1=O 122692234 NWICNTXYTHWQSW-TWGQIWQCSA-N 293.153 3.549 30 20 CHED CC(C)CC1(CNCc2ccc(C#N)o2)CCCC1 122958091 GYDIUSOWDAOBFZ-UHFFFAOYSA-N 260.381 3.847 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(OC)nc1C 124152075 FFUYZUDDZQFBIR-UHFFFAOYSA-N 291.395 3.609 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)Cc1cccc(Cl)c1 125249124 WGCIXTFTWOIFKZ-ZDUSSCGKSA-N 295.810 3.670 30 20 CHED CC(C)c1ncc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)s1 125445967 ZBJNIMXOCBZIMM-NSHDSACASA-N 299.399 3.629 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCC(C)C 126026499 ULOAOMRISYXBLO-AWEZNQCLSA-N 296.370 3.804 30 20 CHED C=CCC[C@@H](C)NC[C@@H](c1ccccc1)N1CCCC1 130509450 YWCQKJCDPMSSSD-AEFFLSMTSA-N 272.436 3.768 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)COC)cc1 131994431 PNMGTLMNYWEMGV-CHWSQXEVSA-N 283.799 3.503 30 20 CHED C[C@@H](C(=O)Oc1ccc(C#N)cc1)c1c(F)cccc1F 133690403 HLZJHSADPZZOIC-SNVBAGLBSA-N 287.265 3.546 30 20 CHED C#C[C@@H](OC(=O)c1cccc(-c2nc(C)cs2)c1)C1CC1 134049677 BXNVYZMSNGZPLK-OAHLLOKOSA-N 297.379 3.687 30 20 CHED C=CCC(CC=C)C(=O)N1[C@@H](C)C[C@H]2CCCC[C@@H]21 134107518 APUPXKOOUAWCKY-IMJJTQAJSA-N 261.409 3.934 30 20 CHED N#Cc1ccc(CNc2cccc3c2CCCC3)o1 135560582 XPXIKWIYXSECJM-UHFFFAOYSA-N 252.317 3.642 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H](CC)C1)c1ccccc1 152676727 JPTNNRUQQKWZGE-JKSUJKDBSA-N 271.404 3.995 30 20 CHED C=CCN(C)Cc1cnc(-c2ccc(C)cc2)s1 154778730 RMQGBZFOFVUFEE-UHFFFAOYSA-N 258.390 3.736 30 20 CHED CCN(C(=O)CC(C)C)c1ccc(C#N)c(Cl)c1 156522281 OCRQHNLKGKROSD-UHFFFAOYSA-N 264.756 3.611 30 20 CHED C=C(C)CNC(=O)Nc1c(C)cc(Br)cc1C 156558863 RWHLZINQYMDWML-UHFFFAOYSA-N 297.196 3.764 30 20 CHED C=CCC[C@H](NCc1cccn1C)c1ccccc1 158812314 BIVSUOXCPDCZSR-KRWDZBQOSA-N 254.377 3.822 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C=CCCC1 158814445 YGUNQBFNUKCGTO-KRWDZBQOSA-N 297.402 3.589 30 20 CHED Cc1noc(C)c1CSCCCC(C)(C)C#N 161010079 IZIMBNPWQNCYDD-UHFFFAOYSA-N 252.383 3.855 30 20 CHED N#CCCCCSCc1cc(-c2ccco2)on1 161684121 XTEBGZOQQYAROT-UHFFFAOYSA-N 262.334 3.862 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1C 165234176 WANSNQARBQKSHA-NVXWUHKLSA-N 256.393 3.925 30 20 CHED C[C@H](CC(=O)[C@H](C#N)c1ccccn1)c1ccccc1F 170672526 YZNQGFOFCSOXMW-TZMCWYRMSA-N 282.318 3.591 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1ccc(O)c(F)c1 170852017 BJKYZPDQNAOSIK-XVNBXDOJSA-N 260.239 3.567 30 20 CHED Cc1ccc(-c2ccc(C(=O)NC[C@@H](C)C#N)c(F)c2)cc1 171837924 LDFRQEKOZNNIJJ-ZDUSSCGKSA-N 296.345 3.691 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CC(C)(C)C 173041980 XTRSWNTUUYZNBN-UHFFFAOYSA-N 273.380 3.755 30 20 CHED CCCCCCCC(=O)Nc1ccc([S@@](C)=O)cc1 174045866 JXWJXUGHNMRJSZ-LJQANCHMSA-N 281.421 3.723 30 20 CHED COCc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1F 174068724 XKVJXAZMYWZHMD-ZDUSSCGKSA-N 298.361 3.695 30 20 CHED C=CCSCCNC(=O)CCCc1cc(C)sc1C 177624864 FULOIZAMBNOVNM-UHFFFAOYSA-N 297.489 3.723 30 20 CHED C=CCC[C@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1 178739657 FHHNCZXSOYGSCR-HNNXBMFYSA-N 295.386 3.724 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2ccc(CC#N)cc2)C1 179202207 INUFPOWDGNPVDM-AWEZNQCLSA-N 270.376 3.908 30 20 CHED N#CCCCCNC(=O)Nc1cccnc1-c1ccccc1 179460026 KRAOJRQYTLOEDW-UHFFFAOYSA-N 294.358 3.564 30 20 CHED C#CCCCCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 179671489 QLASUUMLOOFCMH-UHFFFAOYSA-N 295.386 3.621 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cc(Cl)ccc2Cl)C1 179863725 ZYRYIRJNIHKGGX-SCZZXKLOSA-N 284.142 3.842 30 20 CHED C=C(C)CN(C)C(=O)c1cccc2c3c([nH]c12)CCCC3 183047382 JBESZRHWWNOLNN-UHFFFAOYSA-N 282.387 3.695 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 185090152 KOWYXANILXLYGQ-NEPJUHHUSA-N 289.354 3.881 30 20 CHED C=C(C)CN(C)C(=O)C(C)(C)c1cccc(Cl)c1F 185889367 UEUCLQHIHAEPMH-UHFFFAOYSA-N 283.774 3.791 30 20 CHED C=CC[C@H](C(=O)N(CC)CC(=C)C)c1ccccc1 186415764 PNYTZPMDZYMOFL-INIZCTEOSA-N 257.377 3.771 30 20 CHED C[C@H]1c2cccn2CCN1Cc1ccc(Cl)cc1C#N 186506641 VDYRIBKXBFZMJZ-LBPRGKRZSA-N 285.778 3.590 30 20 CHED C=CCC[C@@H](C(=O)Nc1cc(CC)nn1C)c1ccccc1 188047368 ATGOECNPGURQOD-MRXNPFEDSA-N 297.402 3.671 30 20 CHED C=CCC[C@H](CC)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 188606881 COLBXQJXUWKJRM-IHRRRGAJSA-N 293.373 3.804 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2nccn2-c2ccccc2)cc1 191206198 VIEKEVAKUYRTEL-ZHACJKMWSA-N 299.333 3.640 30 20 CHED Cn1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)cc1C#N 191264604 ZXDDIIFOWIMKJN-LJQANCHMSA-N 291.398 3.549 30 20 CHED C=CCCCSCC(=O)N[C@H](c1ccccc1)C1CC1 193660661 BOFYVGPDWMCGHI-QGZVFWFLSA-N 289.444 3.953 30 20 CHED C=CCCSCC(=O)N[C@@H](c1ccccc1)C1CC1 193664708 KTHXBUUXUDLPPE-INIZCTEOSA-N 275.417 3.563 30 20 CHED CC(C)C1CCN(Cc2cc(F)ccc2C#N)CC1 229959680 AMDZSVYAEWFGMN-UHFFFAOYSA-N 260.356 3.565 30 20 CHED CCC[C@@H]1CCCCN1Cc1cccc(C#N)c1F 230649618 HIAQWQDSSCUASN-OAHLLOKOSA-N 260.356 3.852 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2C2CCC2)cc1 245558397 KTCHNMRKRIKROV-KDOFPFPSSA-N 284.403 3.742 30 20 CHED CC(C)N(C)Cc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 248745114 FLFUXNRGJRKBRA-APWZRJJASA-N 299.462 3.699 30 20 CHED C=CCCCCCN(C)C(=O)/C=C\c1ccc(Cl)nc1 255005150 AULHCYCGNMPZAU-LUAWRHEFSA-N 292.810 3.953 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1cccc(OC(C)C)c1 255149013 SVXCDVFWCIUYNF-KTKRTIGZSA-N 298.386 3.720 30 20 CHED COCc1cccc(/C=C2/CCOc3ccccc3C2=O)c1 255337704 JRUZNXRHZGGHBO-VBKFSLOCSA-N 294.350 3.882 30 20 CHED C=C(C)COc1cccc(N=Cc2ccc(O)c(O)c2O)c1 255715581 XMZBKQYAKUBISG-UHFFFAOYSA-N 299.326 3.509 30 20 CHED C=C1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1 264442004 BWXXITQTRCOBDO-CQSZACIVSA-N 297.320 3.901 30 20 CHED N#Cc1ccc(CNCCc2ccccc2C(F)(F)F)o1 266219550 QRKYJTAOBQCEDW-UHFFFAOYSA-N 294.276 3.502 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)C1CC1 267187348 XSSOJGQNKXFRQG-UFBFGSQYSA-N 297.185 3.720 30 20 CHED C=CCN(C(=O)CCc1ccc(Cl)s1)C1CC1 271594721 XORSBRRGRDYGIC-UHFFFAOYSA-N 269.797 3.511 30 20 CHED Cn1c([C@@H]2CCCN2CCC(C)(C)C#N)nc2ccccc21 272062821 XEXJCSVDELPZCI-INIZCTEOSA-N 296.418 3.650 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H](CC1CCC1)c1ccccc1 272586701 NIJXLTGWIQFHTH-RHSMWYFYSA-N 299.418 3.719 30 20 CHED CC[C@@H](C(=O)NCCCC#N)c1cccc(C(F)(F)F)c1 273074867 WGFPCFUDKUYWTL-CYBMUJFWSA-N 298.308 3.619 30 20 CHED CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc(F)ccc1F 274618289 LOTOSGJOYXXJDK-GMXABZIVSA-N 264.319 3.698 30 20 CHED C=CCCN(C)C(=O)c1csc(-c2ccccc2C)n1 276021885 AXFICMHNKDYOGM-UHFFFAOYSA-N 286.400 3.767 30 20 CHED Cc1ccc(NC(=O)CC(C)(C)C#N)cc1Cl 278162973 CMYOGZLJPZXTGH-UHFFFAOYSA-N 250.729 3.527 30 20 CHED CSc1ccc(C)c(NC(=O)CC(C)(C)C#N)c1 278795203 QOBXJIQTOBIDLC-UHFFFAOYSA-N 262.378 3.595 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1cccc(F)c1 280697156 BWOFRVCVGGYMMM-UAGQMJEPSA-N 277.383 3.848 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cn(C(C)C)nc1C)C2 281022934 PQOXTCDIHVILAO-ZSOIEALJSA-N 296.370 3.603 30 20 CHED N#CC1(CCCn2cc(-c3ccccc3)cn2)CCOCC1 281282864 IVUYQQSPTYOSOA-UHFFFAOYSA-N 295.386 3.651 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cnn(C(C)(C)C)c1C 281612593 NCKLUOVDWNNBKJ-OCCSQVGLSA-N 263.429 3.952 30 20 CHED N#Cc1cnc2ccccc2c1NCC1CCC(C#N)CC1 281774273 ZZANZVJIJKITLW-UHFFFAOYSA-N 290.370 3.848 30 20 CHED CC[C@@H](C)N(C(=O)c1ccc(F)c(C#N)c1)[C@H](C)CC 284234076 OPCNVRHEAAPYKO-VXGBXAGGSA-N 276.355 3.737 30 20 CHED C[C@@H](SCCC(C)(C)C#N)C(=O)Nc1cccc(F)c1 289331239 CSWMUJDJSFBLRO-LLVKDONJSA-N 294.395 3.826 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCC#N 292463806 YBVCWHIXWBELSS-IRXDYDNUSA-N 284.403 3.865 30 20 CHED C[C@H](NCCCC(C)(C)C#N)[C@@H]1OCCc2sccc21 292570487 ZXZHRQYGWCHXEZ-WFASDCNBSA-N 292.448 3.670 30 20 CHED C=CC(C)(C)c1nc(-c2ccccc2NC(=O)C2CC2)no1 295859400 GNKFPZWLDQGFKE-UHFFFAOYSA-N 297.358 3.549 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)C(C)(C)C#N 298829781 VMUOXVIWDGTCKO-UHFFFAOYSA-N 284.359 3.503 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1nc(Cl)c(C#N)s1 300120598 CGENHWCUDFXRNM-HRDYMLBCSA-N 269.801 3.905 30 20 CHED N#Cc1nc(Sc2ccc(F)cc2)ccc1Cl 301527164 JOQZNQNJAGGNER-UHFFFAOYSA-N 264.712 3.897 30 20 CHED CC(=O)c1ccc(CNc2ccc(Cl)cc2C#N)nc1C 302028228 IXCMEMPBQOFTDV-UHFFFAOYSA-N 299.761 3.730 30 20 CHED CC(=O)c1ccc(C#N)c(NCCc2cccc(F)c2)c1 302095805 IZXZJEFINBJWTJ-UHFFFAOYSA-N 282.318 3.555 30 20 CHED C=C(C)[C@H](Nc1ncccc1C#N)c1ccc(F)c(F)c1 302454692 UGHJPMYXFNBWGH-HNNXBMFYSA-N 285.297 3.961 30 20 CHED C#CCN(Cc1ccc(C)cc1)Cc1ccc(F)cc1 302996394 HNGBLDDHIZFNJS-UHFFFAOYSA-N 267.347 3.770 30 20 CHED CSCC1CCC(Nc2cc(C)nc(C#N)c2)CC1 308276241 HJCWAUOJXKQYHT-UHFFFAOYSA-N 275.421 3.595 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@H]1CCCC(F)(F)C1 312132300 FGUQTVVTPCVXLR-HNNXBMFYSA-N 278.346 3.816 30 20 CHED Cc1cccc(C(C)(C)CNC(=O)C2(C#N)CCCCC2)c1 330548162 VXKCXRWTCWXURN-UHFFFAOYSA-N 298.430 3.863 30 20 CHED N#Cc1cccc(C[S@](=O)c2cc(Cl)ccc2F)c1 334376857 WFLUNSJQLRWRMW-IBGZPJMESA-N 293.750 3.659 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cccc(CC#N)c1 334983146 XAXWPKOTWFLXSH-DOMZBBRYSA-N 271.364 3.547 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1F 335870097 FIWTZQJPMYLAHF-MRXNPFEDSA-N 296.345 3.570 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccs1 336455186 LSFHQULVDVMKPV-CABCVRRESA-N 296.395 3.660 30 20 CHED C=CC[C@H](CC)NC(=O)CCC(=O)c1ccc2c(c1)CCC2 337085769 DOKUGGZYPGAMLF-KRWDZBQOSA-N 299.414 3.609 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCc2ccccc2[C@H]1C 337870897 RBIJYOYZNWXBDI-CQSZACIVSA-N 290.366 3.626 30 20 CHED Cc1c(C#N)cccc1C(=O)NC1(C)CCC(C)CC1 337946151 XPIUWXAUVGCWPE-UHFFFAOYSA-N 270.376 3.565 30 20 CHED C=CCCS[C@@H]1CCCN(c2cccc(F)c2)C1=O 339094827 XOMCJNSCSCDCJV-CQSZACIVSA-N 279.380 3.630 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc2[nH]c(C)cc2c1)OCC 339424643 SRIPFLCTPAFTNH-INIZCTEOSA-N 286.375 3.786 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc2cncn2c1 339930434 OTUHMCXPLGHNAV-UHFFFAOYSA-N 297.402 3.543 30 20 CHED CS[C@@H](C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 340556230 IBPOEOVCTWERDO-AWEZNQCLSA-N 295.407 3.776 30 20 CHED Cc1cc(NCc2ccc(OC(C)C)cc2)cc(C#N)n1 341743376 LLDUKEUEZCHFCC-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C[C@@H](CCOCc1ccccc1)NCc1ccc(C#N)cc1 342251846 QXFHKTZCZFTUIC-INIZCTEOSA-N 294.398 3.643 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 343522721 KELDWPPRZFKQQD-LLVKDONJSA-N 274.339 3.782 30 20 CHED C=C(CN[C@@H]1C[C@H](OCC)C12CCC2)c1ccccc1 344050007 JOYPVXVFDVZSSE-SJORKVTESA-N 271.404 3.637 30 20 CHED Cc1nc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cs1 344099411 KLYKHAHDRNHPME-MNOVXSKESA-N 271.389 3.735 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(F)c(Cl)c1 345886021 NEEGMWXVCVZXON-UHFFFAOYSA-N 282.746 3.539 30 20 CHED C=CCOCCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 347964860 LMRBEPVDEQPJBA-RHSMWYFYSA-N 289.419 3.960 30 20 CHED N#CCn1c(/C=C\c2cccc(C#N)c2)nc2ccccc21 352007686 MJVBHHWBEOWSQX-HJWRWDBZSA-N 284.322 3.602 30 20 CHED CCCN(CC1CCCCC1)C[C@@H](C#N)CCC#N 352787157 CGENJWLFMCXXQR-MRXNPFEDSA-N 261.413 3.722 30 20 CHED CSc1ccc(N(C)C(=O)c2cccc(CC#N)c2)cc1 353091463 WTBPINBRHUVEFE-UHFFFAOYSA-N 296.395 3.751 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OCC)c(OC)c2)CC1 353674132 HQMGJACFPOWTBX-UHFFFAOYSA-N 289.375 3.779 30 20 CHED N#CCCNCCCCc1cccc(C(F)(F)F)c1 355125242 CYMPNOJGZGMFHS-UHFFFAOYSA-N 270.298 3.531 30 20 CHED C[C@@H]1CC[C@H](CNCc2cccc(OCCCC#N)c2)C1 355604052 YVCSWONYYBPHKN-WBVHZDCISA-N 286.419 3.895 30 20 CHED N#Cc1ccnc(N[C@@H]2CCc3sc(Cl)cc32)c1 357589169 BYVQXWVZDWVHSO-SNVBAGLBSA-N 275.764 3.768 30 20 CHED CC(C)(C#N)CNc1ccc(C#N)c(C(F)(F)F)c1 359100761 YBSLACNFHLWVAC-UHFFFAOYSA-N 267.254 3.539 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CCC2(CCCCC2)O1 359806012 RKAZDERHJKSDNE-OAHLLOKOSA-N 278.440 3.788 30 20 CHED CC[C@@H](C)c1noc([C@H](C)c2cccc(C#N)c2)n1 361023733 YXINRISTHPSPTB-GHMZBOCLSA-N 255.321 3.607 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(c2cccnc2)CCCC1 367282925 PYGOCGXGQONJLT-HNNXBMFYSA-N 286.419 3.754 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H](Nc2ccccc2)C1 370734451 FZYMTXMOKXWZCS-SFHVURJKSA-N 298.430 3.858 30 20 CHED C#CCC1(C(=O)N2CCC3(CCCC3)C2)CCCCC1 373764035 ZYSGRFYTFUBZRF-UHFFFAOYSA-N 273.420 3.753 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(C#N)c1)CO2 376164687 FXRQEAQRPRZOBE-GUYCJALGSA-N 278.355 3.651 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 397675546 KIAMSWZIIDICPQ-SNVBAGLBSA-N 297.185 3.759 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(CC#N)cc1 402487838 BGEUJAXPAIYZHK-NSHDSACASA-N 284.281 3.670 30 20 CHED CCCOc1cccc(CNCc2ccc(C#N)c(F)c2)c1 404828025 HGYSKZQLGOJKFF-UHFFFAOYSA-N 298.361 3.776 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(F)cc2C#N)C1 408402484 IJZSMNPPHOQJOF-VXGBXAGGSA-N 289.354 3.740 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 410134458 IJPIFVLQMPDSRT-PWSUYJOCSA-N 299.773 3.717 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(-c2cccs2)o1 410835187 MVBPIEDZOBWUPB-NSHDSACASA-N 288.372 3.772 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412285372 GPICXOKJMFEVCB-JZXOWHBKSA-N 269.388 3.747 30 20 CHED Cc1ccc(-c2noc([C@@H](C)SCCC#N)n2)cc1F 413012453 LQYRFGZYYRUWOD-SNVBAGLBSA-N 291.351 3.892 30 20 CHED N#Cc1cc(F)ccc1NCCC1CC(F)(F)C1 413345373 UAHRGUDWTYSEJA-UHFFFAOYSA-N 254.255 3.545 30 20 CHED C[C@@H]1C[C@@H](NC(=O)NCCCC#N)C[C@H](c2ccccc2)C1 413432375 CBVAWGVIFCCJJO-USXIJHARSA-N 299.418 3.562 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc2ccccc2n1 414160441 DCUOPLRAVJCSPX-ZDUSSCGKSA-N 267.376 3.825 30 20 CHED CC1(C)CCC[C@@H](C(=O)N2CCc3cc(C#N)ccc32)C1 416008854 CICMZNRIZFJZJW-OAHLLOKOSA-N 282.387 3.664 30 20 CHED C=CCOCCCOc1cc(Cl)ccc1C(C)=O 416929090 ZTJRJAVALRLIFE-UHFFFAOYSA-N 268.740 3.514 30 20 CHED CC(C)[C@H](CNCC1(C#N)CCC1)c1ccccc1 418135989 BPLDVIYVWCBXIV-INIZCTEOSA-N 256.393 3.710 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)Nc1cncc(C#N)n1 420597719 IWFNOGNFWRJQAR-MRXNPFEDSA-N 280.375 3.856 30 20 CHED CC(C)CCCCC(=O)N1CCc2c(C#N)cccc21 421657074 MUXBXXBHCZHCHZ-UHFFFAOYSA-N 270.376 3.664 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1ccc2c(c1)COC2 421879553 NISMWGQEFHGQIB-LLVKDONJSA-N 284.384 3.501 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cccc(OC)c2)no1 424218577 VBZZRWNKGQVCKC-UHFFFAOYSA-N 258.321 3.599 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@@H](C)c1ccccc1 424649461 XTXZLIWJEKKRTA-CQSZACIVSA-N 259.393 3.899 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(C)cc1OCC 424721001 KVJJJNUGGONWGU-UHFFFAOYSA-N 275.392 3.612 30 20 CHED Cc1csc(NC(=O)[C@H]2CCCC[C@@H]2C)c1C#N 425608616 GKUNHOSFUJZJNI-ONGXEEELSA-N 262.378 3.693 30 20 CHED CC(C)Cc1ccc([C@@H](NC(=O)NCCC#N)C2CC2)cc1 426419143 JTORDIZDOCPMDV-QGZVFWFLSA-N 299.418 3.549 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CCSC1)c1ccccc1 435292631 YVBXXZGOKGWITC-GJZGRUSLSA-N 275.417 3.563 30 20 CHED Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1C#N 435697097 MKULWUFJCRARDX-UHFFFAOYSA-N 265.291 3.560 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(F)cc1Cl 435741894 RJMUSOMGLCRMOU-IUODEOHRSA-N 283.774 3.550 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1 436025066 GTRBUIYOYMLGET-YRBFXIGRSA-N 288.435 3.791 30 20 CHED C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 437986633 NDPNLHMKWFSTOC-LLVKDONJSA-N 289.354 3.788 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)cc2F)[C@H]1C#N 444732006 PKCOIGCRHIRGHQ-AWEZNQCLSA-N 280.774 3.993 30 20 CHED C=CC[C@H]1N(C(=O)NC[C@@H]2CCCS2)CCCC1(C)C 445106580 GAHXWVFXHXBCTR-UONOGXRCSA-N 296.480 3.658 30 20 CHED C=CCNC(=O)c1sc2cc(C)c(C)cc2c1C 445249125 MUBBAYHFWHQVRJ-UHFFFAOYSA-N 259.374 3.742 30 20 CHED C=CC[C@@H]1N(C(=O)NCC(C)(C)OCC)CCCC1(C)C 447826226 IDYZGXPTQMSPTI-AWEZNQCLSA-N 296.455 3.578 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCc3occc32)CCCC1 449416535 UDGBZARFIGQXLR-CQSZACIVSA-N 273.376 3.910 30 20 CHED COCCC1(CNc2cccc(Cl)c2C#N)CCC1 450394044 WMDVWKCPQFICKU-UHFFFAOYSA-N 278.783 3.830 30 20 CHED COc1cccc([C@@H]2C[C@@H](C)CN2CC2(C#N)CCC2)c1 450708218 CDLLKEANPRIVFW-PBHICJAKSA-N 284.403 3.772 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Cl)c(Cl)c1 451601853 BUQOLTMOMKPZJB-FZZIBODNSA-N 286.202 3.988 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@]2(CCSC2)C1 455001395 QKGDLXZBKIJMLX-INIZCTEOSA-N 296.480 3.517 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@H]1c1ccsc1 455369766 PPSIGGWXROUJAM-ZDUSSCGKSA-N 278.421 3.807 30 20 CHED C=CCC[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 455983636 BEKMIFXPVBMXEU-XWTMOSNGSA-N 299.414 3.768 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1=CC[C@H](C)CC1 456000807 YYELRCZKBCTSIA-NSHDSACASA-N 254.333 3.552 30 20 CHED C=CCC1(CNC(=O)C(C)(C)C(F)F)CCCC1 456501142 FCDNVDCIJABKDV-UHFFFAOYSA-N 259.340 3.530 30 20 CHED C=C(CC)CNC(=O)C1(c2ccc(F)cc2)CCCC1 456823140 AZKJIMFRRXJBBK-UHFFFAOYSA-N 275.367 3.720 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1ccc(CC#N)cc1 459668408 PZOQRTCXKSYOSZ-OAHLLOKOSA-N 294.398 3.921 30 20 CHED C=CCN(C(=O)c1ccnc(CCC)c1)c1ccccc1 463259563 PYTCAETWDULJMN-UHFFFAOYSA-N 280.371 3.867 30 20 CHED C[C@@H](C(=O)NC(C)(C)c1cccs1)c1cccc(C#N)c1 463876516 ZPUHIVUTVWWSAF-GFCCVEGCSA-N 298.411 3.775 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 464754798 HSACYNIVYSMZQR-UAGQMJEPSA-N 286.419 3.929 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2ccccc2C)CCC1 466533796 JTUAMWXEQKQXLG-OAHLLOKOSA-N 271.404 3.888 30 20 CHED C[C@]1(CNc2ccc(Cl)cc2C#N)CCO[C@H]1C1CC1 466629317 AADWIGIBMWKLDT-JKSUJKDBSA-N 290.794 3.829 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](CO)Cc1ccc(C)cc1 467363666 DEMQSQJAQVBTKW-QZTJIDSGSA-N 275.436 3.623 30 20 CHED C=CC[C@H](CC)N[C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 467412645 JBRPCDPTLCUCAG-KBPBESRZSA-N 298.430 3.978 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc2c(C)c(C)[nH]c12 467684214 GLZOIMSALMAPIL-ZDUSSCGKSA-N 270.376 3.869 30 20 CHED C=CCCCCNC(=O)C[C@@H](C)Cc1ccccc1OC 471702918 QZLPTKQDNJNCSX-HNNXBMFYSA-N 289.419 3.736 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H](c2ccccc2)CC1 472678930 OMKLBHYNLGCELE-ROUUACIJSA-N 273.420 3.583 30 20 CHED C=CCCC1(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)CC1 474394293 HAODOLKFYDQNGY-NSHDSACASA-N 290.432 3.953 30 20 CHED C=CCC1(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CCC1 478059313 BAYWSTYRJDXUIB-ZQDZILKHSA-N 261.409 3.674 30 20 CHED CCCC1CCC(NC(=O)NCC(C)(C)CCC#N)CC1 484462377 DBXMJGZFQZCCFT-UHFFFAOYSA-N 293.455 3.974 30 20 CHED Cc1nc(N2C[C@H](C)C[C@H]2c2ccccc2)ccc1C#N 488020563 BUDNNGKQOJEJQV-DYVFJYSZSA-N 277.371 3.849 30 20 CHED Cc1nc(N2CCC[C@H]2C2CCCCC2)ccc1C#N 488112201 QAENRTROBFPUCT-INIZCTEOSA-N 269.392 3.811 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C)c(Cl)c1 488544783 APGZLZNRKKMIGG-UHFFFAOYSA-N 274.751 3.888 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 488844353 WVXFSPIZWHNWBO-JHJVBQTASA-N 289.341 3.922 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1cccc(Cl)c1 488845620 WUTQSANAZGPODQ-OCCSQVGLSA-N 293.794 3.674 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(OC(F)F)c1 489745157 WQLOPJVEIBZADB-UHFFFAOYSA-N 283.318 3.620 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)nn1C(CC)CC 489968292 WXDQOKLDNPYVOH-UHFFFAOYSA-N 291.439 3.885 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccccc1SC 490014456 RACNLYYBLFPLNM-UHFFFAOYSA-N 277.433 3.670 30 20 CHED CC(C)(C)CCCC(=O)N(CCC#N)CC(C)(C)C 494328653 USLNILQRLCRYTR-UHFFFAOYSA-N 266.429 3.991 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)CCCC(F)(F)F 494797471 ZNPFKKBKIHMWCJ-NSHDSACASA-N 280.334 3.763 30 20 CHED CC(C)(C#N)CNC(=O)NCC1CCC(C(C)(C)C)CC1 499550369 ADMIRHVJVWSQGU-UHFFFAOYSA-N 293.455 3.688 30 20 CHED CC#CCCCC(=O)N[C@]1(c2cccc(C)c2)C[C@H]1CC 501596244 WASFHKDHUUVLQU-VQIMIIECSA-N 283.415 3.930 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(C)cc1C 502582164 RBBJRARDPCKBIK-HOTGVXAUSA-N 289.419 3.804 30 20 CHED CC(C)CN(Cc1ccc(C#N)s1)CC(C)C 505432773 LOHZEIQDYWPSGX-UHFFFAOYSA-N 250.411 3.734 30 20 CHED C=CCc1cc(CN(CC)CC(C)C)cc(OC)c1O 507118081 AZJGENDRZVBIBT-UHFFFAOYSA-N 277.408 3.607 30 20 CHED C=CCOc1ccc(CN(C)C[C@H](C)CC)cc1OC 509402497 XISNCHBBXCDMAV-CQSZACIVSA-N 277.408 3.738 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)c2cccc(C#N)c2C)c1 509946569 XFNDYBCOLZXXOT-AWEZNQCLSA-N 292.382 3.709 30 20 CHED C=C(C)[C@@H](NCCCN(CC)CC)c1ccc(F)c(F)c1 514192050 FXGPLQNVAHUPMF-QGZVFWFLSA-N 296.405 3.904 30 20 CHED C/C=C/c1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1 515169593 NOYDVLDZCGKHDY-DUXPYHPUSA-N 291.354 3.642 30 20 CHED Cc1c(C)c(C)c(CNCc2nc(C#N)cs2)c(C)c1C 516690052 SZEJMSJXVCGUJK-UHFFFAOYSA-N 299.443 3.847 30 20 CHED Cc1cc(C)c(CNC(=O)Nc2ccc(C#N)cc2)c(C)c1 521778353 ZZPWPUUHFCGOOV-UHFFFAOYSA-N 293.370 3.805 30 20 CHED N#Cc1ccc(Cl)cc1N1CCO[C@H](c2ccccc2)C1 522935340 MVHFOCGLDJYMPR-KRWDZBQOSA-N 298.773 3.790 30 20 CHED N#CCCCNC(=O)C1(C2CCCCC2)CCCCC1 526077598 UHIBBRBFOFPKBL-UHFFFAOYSA-N 276.424 3.937 30 20 CHED CC(C)(C#N)CCCN1CCCc2c(F)cccc21 530663067 GARQAWWGHMQLIT-UHFFFAOYSA-N 260.356 3.908 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Cc1cccc(Cl)c1 535896330 KKLYXCVMJOWJJZ-CYBMUJFWSA-N 279.811 3.943 30 20 CHED CCN(C[C@@H](C)CCc1ccccc1)C[C@@H](C)C#N 537207015 NSAXIRLRMOVQJW-HOTGVXAUSA-N 258.409 3.737 30 20 CHED C=C(CC)CSCC(=O)Nc1cccc(CC)c1 537993490 NREJSKPNBCTQOJ-UHFFFAOYSA-N 263.406 3.887 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)CCCc1ccccc1 540493155 UYPVOLZWEIYBOX-INIZCTEOSA-N 286.419 3.796 30 20 CHED C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@@H]2CCCC[C@@H]12 543908691 LYEIMMCKAIGCOX-OAUYIBNBSA-N 272.367 3.708 30 20 CHED Cc1c(Cl)cnc(N2CCC(C)(C)CC2)c1C#N 544141590 CMHJYUPPZXLLPE-UHFFFAOYSA-N 263.772 3.542 30 20 CHED CC(C)c1ccc(Cc2noc(-c3ccc(C#N)[nH]3)n2)cc1 545614127 DUSDGSQJMZCYKY-UHFFFAOYSA-N 292.342 3.651 30 20 CHED Cc1cc(NCCCCOc2ccc(F)cc2)cc(C#N)n1 552909425 APMKKUDLNRGDEM-UHFFFAOYSA-N 299.349 3.672 30 20 CHED N#Cc1ccnc(NCCC2Cc3ccccc3C2)c1Cl 553506286 DSYSZMMFRMFXPA-UHFFFAOYSA-N 297.789 3.824 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](F)C1 554343517 WEGMZJRFTVAPRX-JKSUJKDBSA-N 290.382 3.665 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2cc(C#N)c3ccccc3n2)C1 554776742 SHRILKVEBBXBSB-QWHCGFSZSA-N 293.370 3.871 30 20 CHED C[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1F 558157032 LNWOJKCQKKNOTH-LBPRGKRZSA-N 286.325 3.882 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H]2OCCc3ccccc32)n1 563674167 LXPDOUQFEYBOSD-HNNXBMFYSA-N 298.386 3.780 30 20 CHED C=CCC[C@@H](CC)NCc1cc(C)nc(N2CCCC2)c1 564616354 PGPACPRGBUJXDA-QGZVFWFLSA-N 287.451 3.825 30 20 CHED CCCC[C@@H](S[C@@H](C#N)c1ccccc1)C(=O)OC 568270436 FJFMVRNHYINFRP-KGLIPLIRSA-N 277.389 3.716 30 20 CHED C=CCC[C@H](CCC)NCc1cccc(C(=O)OC)c1 569171263 BRDWABDISULJOF-INIZCTEOSA-N 275.392 3.698 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@@H](C)c1ccccc1 570331036 SIOIDJNQCOQFQA-CYBMUJFWSA-N 294.354 3.699 30 20 CHED C=CCC[C@H](NCc1ncc(C)s1)c1ccco1 571617618 DMWUUPWZARBPBB-LBPRGKRZSA-N 262.378 3.842 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccc2c(c1)CCC2 579786566 SYKWIYXNQVUORU-YOEHRIQHSA-N 299.414 3.510 30 20 CHED CCCCOc1ccccc1/C=C\C(=O)c1cnn(C)c1C 588476642 VEEZNJCLXYXCSO-KHPPLWFESA-N 298.386 3.804 30 20 CHED N#Cc1cc(Cl)ccc1CON=Cc1cccs1 588510218 SSXFYTIEDIZDDX-UHFFFAOYSA-N 276.748 3.824 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C\c2ccc[nH]2)c1 588547978 BHYQBTNEBZIODZ-HJWRWDBZSA-N 282.343 3.622 30 20 CHED COc1cccc2c1CC/C(=C/c1ccccc1C#N)C2=O 588618314 MQWOAJSIJDMRJI-KAMYIIQDSA-N 289.334 3.779 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)CCCCCC#N 588888342 DEQKIJIUKBNXJW-UHFFFAOYSA-N 286.379 3.527 30 20 CHED Cc1cccc2cc(C(=O)N[C@@H](C#N)CC(C)C)sc12 588952350 MSNWAVSCVHTBLK-CYBMUJFWSA-N 286.400 3.878 30 20 CHED N#CCCCCCC(=O)Nc1cccnc1C(F)(F)F 589099336 OCGUSORRESNOEB-UHFFFAOYSA-N 285.269 3.513 30 20 CHED Cc1cc(F)c(C(=O)Nc2ccc(C#N)c(F)c2)cc1F 589800598 XVTWEKHVRKFJSY-UHFFFAOYSA-N 290.244 3.536 30 20 CHED N#Cc1ccc(N2CCC(CCc3ccccc3)CC2)nc1 589821034 MKOZWMSBXFOEIA-UHFFFAOYSA-N 291.398 3.802 30 20 CHED CC(F)(F)CCN[C@@H]1CCCc2cc(C#N)ccc21 590778738 GZYFYNFNWPLJBI-CQSZACIVSA-N 264.319 3.571 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)CCCc1cccnc1 590969942 ILLHZDASJWPLTB-MRXNPFEDSA-N 293.414 3.763 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 593506729 AASZEQPQTVKXSF-HIFRSBDPSA-N 272.392 3.748 30 20 CHED CCc1nc(SC[C@H](C#N)CCC#N)c2ccccc2n1 594466910 OLUCODVKFAOUBE-LBPRGKRZSA-N 296.399 3.728 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@@H](c2ccccc2F)C1 595314680 WAQZTMQZVZZLFE-CRAIPNDOSA-N 280.346 3.880 30 20 CHED C[C@H](C#N)N(Cc1cccc(Cl)c1Cl)C1CC1 595709030 BPFCXBFOAKYTDZ-SECBINFHSA-N 269.175 3.870 30 20 CHED N#CCC1(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 596216644 PDLKPBTZAKTOEV-UHFFFAOYSA-N 299.252 3.719 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(C)cc1F 596639936 DLZIXGRLDCVIMP-UHFFFAOYSA-N 282.384 3.565 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(CC#N)cc2)C1 596658903 PAWHNADFLJCMMI-ZIAGYGMSSA-N 285.391 3.795 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccnn1CCC 596985122 ZPPQDJOCBSWFNT-UHFFFAOYSA-N 296.418 3.577 30 20 CHED N#CC1(CC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)CCCCC1 597293811 OORQCPRXBVIXCY-DLBZAZTESA-N 296.414 3.598 30 20 CHED CCN(C(=O)C[C@@H](C)CCC=C(C)C)[C@H](C)C#N 598347942 BXHUPXOGNCORCP-UONOGXRCSA-N 250.386 3.520 30 20 CHED C[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H](C)C1(F)F 599119142 YLYBGFIYPCUPDB-AOOOYVTPSA-N 284.737 3.939 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccccc2CC#N)C1 601037883 FNJVGWNLOAGXOX-HOTGVXAUSA-N 284.403 3.697 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCCc2c(F)cc(F)cc21 602671563 LFJONWBPQGRDSA-MEDUHNTESA-N 278.346 3.872 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(C#N)c1 609043009 QKHQZBIIYIXLQF-IAGOWNOFSA-N 299.418 3.716 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1Cc1ccccc1C#N 610001858 HHJRGMJALQSTGC-YOEHRIQHSA-N 256.393 3.959 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1CCOc1cccc(C#N)c1 610001890 KKBMHAHQTQBERL-YJBOKZPZSA-N 286.419 3.838 30 20 CHED CC(C)(C)c1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 612237712 BORXRWYGNDTGMR-SFHVURJKSA-N 284.403 3.750 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccccc1C)[C@H](C)COC 617579582 HMJQZTHSFNOTTF-HZPDHXFCSA-N 289.419 3.538 30 20 CHED CCc1nnc(CSCc2ccc(C#N)c(C)c2)s1 618660004 UJBXBTKTLWGDMQ-UHFFFAOYSA-N 289.429 3.714 30 20 CHED CCc1c(NCCCC(C)(C)C#N)cnn1CC(C)C 619264051 LXJAHSYAQPJKHA-UHFFFAOYSA-N 276.428 3.843 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(SC)n2)n1 647404263 BPGRVGYNVNZLBZ-UHFFFAOYSA-N 275.377 3.707 30 20 CHED C=CCN(C(=O)c1cc(F)cc2nc[nH]c12)c1ccccc1 647742038 XYNLAHGKBRMKDQ-UHFFFAOYSA-N 295.317 3.535 30 20 CHED C=CCCn1cc(CN[C@@H](c2ccccc2)C(C)(C)C)nn1 653573538 BQOKJQXTHUZNRV-KRWDZBQOSA-N 298.434 3.731 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc2c(C)cccc2[nH]1 657455543 UWXOACZIFALSEG-RDTXWAMCSA-N 284.403 3.547 30 20 CHED C=CC[C@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 661380882 QRALCZORRSGKFV-HNNXBMFYSA-N 273.424 3.786 30 20 CHED C=CCC(C)(C)c1nc(-c2cncc(Cl)c2)no1 664922877 VTHRIYPXAYMZNA-UHFFFAOYSA-N 263.728 3.639 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1CC2(CC2)C1 668625896 FVMSBYYIYBPKPE-UHFFFAOYSA-N 261.409 3.772 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](CCC)c1ccccn1 675154441 UTCNUOXSLONZTK-INIZCTEOSA-N 272.392 3.807 30 20 CHED C=CCCOCc1nc(-c2ccc(OC(C)C)cc2)no1 680703530 XRDWDNZPPJEKJL-UHFFFAOYSA-N 288.347 3.617 30 20 CHED CC(C)CN(CCC#N)C(=O)/C=C/c1ccc(Cl)s1 701279541 WTGANXUFGYOMBD-FNORWQNLSA-N 296.823 3.813 30 20 CHED C=CCCOC(=O)COc1cc(C)ccc1C(C)C 729073194 DWMOBORWFUSQEP-UHFFFAOYSA-N 262.349 3.617 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CCc2c(C)cccc21 729641351 GHRIKYJTNOIKAE-YDDPGSGASA-N 281.355 3.816 30 20 CHED C[C@@H](C#N)OC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 730635279 JTRLSBIUGYJWIH-BDAKNGLRSA-N 286.158 3.627 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@H]2CCc3ccccc32)c1 731937679 MQMBTVGEGTWXKK-OOWUWCJESA-N 295.382 3.940 30 20 CHED CCCCCCCOC(=O)/C=C\c1cnc(C)s1 732866520 HYWQORRTEDFWCL-HJWRWDBZSA-N 267.394 3.978 30 20 CHED C#CCOc1ccc(CN[C@@H](CC=C)c2ccncc2)cc1 734509682 OUIHXMQVQLANKU-IBGZPJMESA-N 292.382 3.501 30 20 CHED C=CCCCOC(=O)c1cc(C)ccc1N1CCCC1 735535407 HFOSTBCJQYIHTO-UHFFFAOYSA-N 273.376 3.718 30 20 CHED CCCCCCCCC(=O)N1CCO[C@@H](C(F)(F)F)C1 739759337 ASYMQRHQFFJNQY-GFCCVEGCSA-N 295.345 3.527 30 20 CHED Cc1c(N[C@H](C)C(C)C)cccc1C(=O)O[C@H](C)C#N 741747500 JAYFIJQEYJZQRF-DGCLKSJQSA-N 274.364 3.520 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 741843710 LDQBQNDSMSVZRG-UYVJIDMWSA-N 273.376 3.789 30 20 CHED C[C@H](CCc1cccn1C)/N=C/c1cc(Cl)ccc1O 741845869 YLZQYVDGZOUZOB-MBNTZHJCSA-N 290.794 3.824 30 20 CHED C[C@H](/N=C\c1ccccc1O)c1ccc(-n2cccn2)cc1 743501419 LPYWVYROODIDAD-QIQQCEGHSA-N 291.354 3.758 30 20 CHED Cc1ccc([C@H](C)C(=O)O[C@H](C)c2cccc(C#N)c2)o1 744100888 HMFLYPBQDKTXSE-QWHCGFSZSA-N 283.327 3.868 30 20 CHED C#CCOC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 744460000 IMOWRWAOHPBIDS-UHFFFAOYSA-N 299.395 3.652 30 20 CHED C#Cc1cccc(NC(=O)N(CCC)CC(C)C)c1 746658083 AVWKTANKQUNZLL-UHFFFAOYSA-N 258.365 3.568 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)c1cscn1 748085520 GLOASCAPDDDVAF-UHFFFAOYSA-N 293.395 3.934 30 20 CHED C=CCCCC(=O)N(CCOC)Cc1ccc(C)cc1C 748299744 QEKCIWUFOYHEEI-UHFFFAOYSA-N 289.419 3.635 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccccc2N2CCCCC2)C1 753588083 SLDPEPLPFHCSBS-LJQANCHMSA-N 297.446 3.803 30 20 CHED Cc1c(C(=O)O[C@H](C)C(C)(C)C#N)cnc2ccccc12 753620434 HOOCVVOSAZHJML-GFCCVEGCSA-N 282.343 3.638 30 20 CHED C#CC(=O)Nc1nc(-c2ccc(CC(C)C)cc2)cs1 754019238 WCAGVHFOKMPBNU-UHFFFAOYSA-N 284.384 3.580 30 20 CHED C=CCc1cc(OC)cc(CN2CCC[C@H]2C(C)C)c1O 754722629 JJAUBKGPCWHHEB-KRWDZBQOSA-N 289.419 3.750 30 20 CHED CC(=NNCC(F)(F)F)c1cc2ccc(C)cc2o1 754973698 NMNZRRNNYYPAHW-UHFFFAOYSA-N 270.254 3.617 30 20 CHED CCCCCCC=NNc1cc(Cl)nc(C)n1 755745435 UZSGLKHOYNTYNC-UHFFFAOYSA-N 254.765 3.807 30 20 CHED C=C(C)[C@@H](CC(=O)OCCOC1CCCCCC1)OCC 756468593 BWBCVOVTPRUALG-MRXNPFEDSA-N 298.423 3.640 30 20 CHED C=CCCOCC(=O)Oc1ccc(CCCC)cc1 756639148 AOWIKNIBRZIXTL-UHFFFAOYSA-N 262.349 3.527 30 20 CHED Cc1cc(/C=C/C(=O)c2ccccc2O)cc(C)c1O 757475226 QOQGNDJHJYZYKO-BQYQJAHWSA-N 268.312 3.611 30 20 CHED C#CCCCC(=O)N(CCc1ccccc1)CC(C)C 757982416 ADHRPAYSKCGIBV-UHFFFAOYSA-N 271.404 3.517 30 20 CHED CC[C@@H]1CCCC1=NNc1cnnc2ccccc12 758368995 CXLZGAHGFZXCPF-LLVKDONJSA-N 254.337 3.608 30 20 CHED COc1ccc(C(=O)/C=C/c2cnc(Cl)c(C)c2)cc1 760264139 KHDVQDFTWREXOT-FPYGCLRLSA-N 287.746 3.948 30 20 CHED C#CCCNc1ccc(Oc2ccccc2C#N)c(F)c1 760305072 TZQCXGCWACCXEC-UHFFFAOYSA-N 280.302 3.925 30 20 CHED CCOc1ccc(/C=N/C2CCC(F)(F)CC2)c(O)c1 761180137 IHNDBNWFYLENMZ-VCHYOVAHSA-N 283.318 3.788 30 20 CHED COc1ccc(OC)c(C=NOCc2ccc(C)c(C)c2)c1 762191193 COSQGPLBJJBTDA-UHFFFAOYSA-N 299.370 3.871 30 20 CHED CCC(=CC(=O)N(C)c1cc(Cl)ccc1C#N)CC 764270913 BZIBBZOTBZGOTK-UHFFFAOYSA-N 276.767 3.921 30 20 CHED C[C@H]1CCC[C@@H](N2CCC(=NOCC(F)(F)F)CC2)C1 764846828 QXDYHJKKXDBKKJ-WCQYABFASA-N 292.345 3.596 30 20 CHED C=CC[C@H](N[C@@H]1C[C@H](OC(C)C)C1(C)C)c1ccncc1 765804266 RVCTXWVFKHJWJC-BBWFWOEESA-N 288.435 3.881 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)c(C)c2)cc1 766485635 XEWPDGSPBWZNJI-ONNFQVAWSA-N 277.323 3.771 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C[C@@H]1CCC[C@H](C)C1 767151576 BUQOXSVOVQWXPX-QWHCGFSZSA-N 289.341 3.617 30 20 CHED C#CCCOc1ccc(CN(C)Cc2ccccc2)cc1 771929293 WJAQDXQJPNLEFK-UHFFFAOYSA-N 279.383 3.721 30 20 CHED CC(C)Oc1ccc(NC(=O)C=C2CCCC2)cc1C#N 772148336 PWQPPHHFSICCHV-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1c(F)cccc1Cl)C1CC1 773010874 HGSUVFLPJBDPHB-HUUCEWRRSA-N 297.801 3.847 30 20 CHED COCc1cccc(/C=C2/Oc3cc(F)ccc3C2=O)c1 773172814 PAHIYTYNAIAWCK-LZYBPNLTSA-N 284.286 3.588 30 20 CHED COc1ccc(NCc2ccc(Cl)cc2C#N)cc1 774276525 ADNSIKSGDGFCTC-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CCOc1ccc(C(C)=NOC2CCCC2)cc1[N+](=O)[O-] 774609287 WLQKPRZTXRWQOO-UHFFFAOYSA-N 292.335 3.677 30 20 CHED Cc1cccc(OC(=O)Cc2ccc(C#N)cc2)c1Cl 774653008 HNHRBFDPEQCWJB-UHFFFAOYSA-N 285.730 3.668 30 20 CHED C#CCOc1ccc([C@H](C)NCCCCCSC)cc1 775583084 XHMVAGIRSAGPAP-HNNXBMFYSA-N 291.460 3.883 30 20 CHED O=C(/C=C/c1nc2c(s1)CCCC2)c1ccccc1O 776266513 RRUUEYHDWQMREE-MDZDMXLPSA-N 285.368 3.624 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1CCO[C@@H](C)C1 776306675 PJAZUEIWXNBHOY-JYJNAYRXSA-N 283.456 3.914 30 20 CHED C[C@H](Oc1cccc(Cl)c1)C(=O)OCCC(C)(C)C#N 776367358 XMYAAXLACHZFEU-NSHDSACASA-N 295.766 3.590 30 20 CHED CC(C)CCn1cccc1C=NOCCC(F)(F)F 777461423 ZEAJGGJSQUOCHA-UHFFFAOYSA-N 276.302 3.837 30 20 CHED CCOc1ccccc1C=NNc1cc(Cl)ccn1 777906564 XNTYFGFWQKNYIK-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C=CC[C@H](C(=O)OCC(=O)c1ccccc1)c1ccccc1 778427268 KUODMLFCUIINSZ-KRWDZBQOSA-N 294.350 3.772 30 20 CHED C=CCSCC/N=C\c1c(O)ccc2ccccc12 781098552 BMVXNSIRLZUPLL-ATVHPVEESA-N 271.385 3.884 30 20 CHED O=C(O)c1cccc(NN=C2CC(c3cccc(F)c3)C2)c1 781571414 KDHVIWYVGDEALS-UHFFFAOYSA-N 298.317 3.869 30 20 CHED COc1cccc(NN=Cc2sccc2Cl)c1 782179501 MELYXQQEHDWKKZ-UHFFFAOYSA-N 266.753 3.856 30 20 CHED CN(C(=O)CCCc1ccsc1)c1cccc(C#N)c1 783408294 MUZOALXAHQCIOK-UHFFFAOYSA-N 284.384 3.605 30 20 CHED N#Cc1ccc(NN=Cc2ccc(F)c(F)c2)cc1Cl 783877763 OGAHGKOTRITSPS-UHFFFAOYSA-N 291.688 3.936 30 20 CHED N#Cc1ccc(NN=Cc2c[nH]c3ncccc23)cc1Cl 783878245 SVKHKOSZTZSZGX-UHFFFAOYSA-N 295.733 3.534 30 20 CHED CCCCS[C@H](C)C(=O)OCCCC(C)(C)C#N 785736882 AUXOKTUDEQIBQJ-GFCCVEGCSA-N 271.426 3.781 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccccc1OC(F)F 785762410 SQHIAMDJHUSLDN-OAHLLOKOSA-N 284.302 3.934 30 20 CHED CCCCCCCC(=O)NCCc1ccc(F)c(F)c1 787437219 AZMPSPRGCHOEAN-UHFFFAOYSA-N 283.362 3.984 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)n(C)n1 789159063 JRXHVRAIPFHCCX-ONEGZZNKSA-N 295.169 3.931 30 20 CHED Cc1cccc(NN=Cc2nccn2-c2ccccc2)c1 790141848 WEHIUEBJNNZJMI-UHFFFAOYSA-N 276.343 3.627 30 20 CHED FC(F)(F)c1ccc(NN=C2CCC3(CC2)CC3)nn1 792635602 SKWKLFNGKVBHAD-UHFFFAOYSA-N 284.285 3.618 30 20 CHED CCC[C@H](C=NNc1ncncc1F)c1ccccc1 793224929 CKRPTPMKGXXOAP-CYBMUJFWSA-N 272.327 3.597 30 20 CHED CC(C)[C@H](C=NOC1CCOCC1)c1ccccc1 794534782 CYDXXTLEJFDZMS-INIZCTEOSA-N 261.365 3.608 30 20 CHED C[C@H](ON=C1CCOc2ccccc21)c1ccc(C#N)cc1 794715853 OMZBIUVBGWSFDY-ZDUSSCGKSA-N 292.338 3.823 30 20 CHED COc1cccc(NN=Cc2ccc3occc3c2)c1 794887802 DIDXLRMERIEISC-UHFFFAOYSA-N 266.300 3.887 30 20 CHED N#Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 795778420 OJTPKRSLADOMMC-GOSISDBHSA-N 277.371 3.584 30 20 CHED Cc1c(C(=O)OC2CCC2)sc2ccc(C#N)cc12 796941436 BOQXMQXICCQBLB-UHFFFAOYSA-N 271.341 3.791 30 20 CHED C=CCC(C)(C)C(=O)OC[C@@H](C)c1ccc(OC)cc1 797011682 FPXNWUIKZYEAMN-CYBMUJFWSA-N 276.376 3.944 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2=CCCC2)s1 797572281 XASIRXQOUYYYLL-LLVKDONJSA-N 274.389 3.727 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(C)(C)CCCCC 798038409 XLYNYRYGYJSYIX-LSDHHAIUSA-N 281.440 3.690 30 20 CHED N#Cc1cccc(CNC(=O)/C(F)=C\C2CCCCC2)c1 798158190 BVGRDQYQLPRNAK-MHWRWJLKSA-N 286.350 3.608 30 20 CHED CC(C)C[C@H](C)CNc1ccc(F)cc1OCC#N 798387478 FSSFEMWHFGVARQ-LBPRGKRZSA-N 264.344 3.822 30 20 CHED COc1ccc(NN=C[C@@H](C)CC(C)C)c([N+](=O)[O-])c1 799111568 JGEDUXLICGRKCF-NSHDSACASA-N 279.340 3.683 30 20 CHED CC(C)c1ccc(C=NOCCO[C@@H]2CCCCO2)cc1 799584454 NMBPZPDHTAOHBV-QGZVFWFLSA-N 291.391 3.704 30 20 CHED C=CCc1cc(OCC)ccc1OC(=O)/C=C/c1ccc[nH]1 802036907 JZXSVJJROQOAJL-DHZHZOJOSA-N 297.354 3.761 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OCC2CCCC2)c1 803833648 ZJEFKSXNRAPTBT-UHFFFAOYSA-N 263.724 3.559 30 20 CHED C#CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 804579178 OKGATCVVICHVES-LLVKDONJSA-N 287.775 3.845 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](N2CCCC2)[C@@H]1C 805331702 GQXJVJCTDKOEKI-IRXDYDNUSA-N 294.483 3.822 30 20 CHED Cc1cc(COC(=O)c2ccc(C)c(C#N)c2)cs1 806022911 MGDQLDSWMLUELL-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C=CC[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccncc1 806818961 KGSWIRAEMGNPBX-YQQAZPJKSA-N 299.418 3.530 30 20 CHED CCc1c(C(=O)/C=C/c2cnccn2)oc2ccccc12 809152036 BASKROFORNZBFA-BQYQJAHWSA-N 278.311 3.681 30 20 CHED C#Cc1ccc(CNc2ccc(F)cc2OCC)cc1 809596869 FCUYLJFZSFRPQB-UHFFFAOYSA-N 269.319 3.818 30 20 CHED C#Cc1ccc(CNCc2ccc(OC(C)C)cc2)cc1 809605057 YWTYVGAPHDVWBF-UHFFFAOYSA-N 279.383 3.745 30 20 CHED C#Cc1ccc(CNCCCCN2C[C@H](C)C[C@@H](C)C2)cc1 809605547 DXEPWXQZHDQQIH-QZTJIDSGSA-N 298.474 3.516 30 20 CHED C#C[C@H](CC)NCc1ccc(-n2cnc3ccccc32)cc1 809686287 HKRJSUUUCIWNQI-MRXNPFEDSA-N 289.382 3.527 30 20 CHED C#C[C@@H](NCc1ccc(C(F)(F)F)s1)C(C)(C)C 809783258 WORRUXYIZDPVHG-SNVBAGLBSA-N 275.339 3.904 30 20 CHED C#Cc1ccccc1CC(=O)Oc1cc(Cl)ccc1F 810589286 GMNDOKMBEBVKFT-UHFFFAOYSA-N 288.705 3.609 30 20 CHED CC[C@H](C)Oc1cc(C=NOC/C=C/Cl)ccc1OC 811668950 LCMNKCNRGGQUDC-NQGDBMKQSA-N 297.782 3.976 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)c(F)c1 811694384 SAQMUWDCRLTHRT-ALCCZGGFSA-N 294.260 3.604 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C)ccc2F)cc1O 811698524 LJKJXQVWSBIMIZ-DAXSKMNVSA-N 286.302 3.744 30 20 CHED CCSc1ccc(C(C)=NOCCOC(C)C)cc1 812238362 TYHLQEMSKPSEIV-UHFFFAOYSA-N 281.421 3.964 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccccc2F)o1 812459588 BUFUVTFEPJHYEM-JQWIXIFHSA-N 258.296 3.988 30 20 CHED COc1cccc(-c2nc(C=NOCC3CC3)cs2)c1 814242229 WDSOHVLZQOZGLM-UHFFFAOYSA-N 288.372 3.579 30 20 CHED N#C[C@H]1CCCC(=NNc2ccc(C(F)(F)F)cn2)C1 814711899 ZYSGPVMAIUAANS-VIFPVBQESA-N 282.269 3.582 30 20 CHED C[C@@H](Nc1nccc(C(C)(C)C)n1)c1cccc(C#N)c1 814856563 NLDMXIWVXWKMBC-GFCCVEGCSA-N 280.375 3.819 30 20 CHED C[C@H](NN=Cc1conc1Cc1ccccc1)C(C)(C)C 814937368 DGYQVQMOAYTIHK-ZDUSSCGKSA-N 285.391 3.624 30 20 CHED CC(C)(CCNc1snc(Cl)c1C#N)C1CC1 814944881 APOPTXNOMTUAQC-UHFFFAOYSA-N 269.801 3.906 30 20 CHED Cc1ccc(C=NNc2nnc(-c3ccccc3)s2)o1 814948976 OARJZMYVEAIXDR-UHFFFAOYSA-N 284.344 3.553 30 20 CHED CCOc1ccc(NN=C(COC)C2CCCC2)cc1 814984016 JSKBZWOSZSWIJI-UHFFFAOYSA-N 276.380 3.690 30 20 CHED CCOc1ccc(NN=C(C)c2ccncc2CC)cc1 814984915 LWEDDRSTHLPIDY-UHFFFAOYSA-N 283.375 3.879 30 20 CHED CC[C@H](C)c1ccc(OC(=O)c2ncc(C#N)cc2C)cc1 815901801 FDGHXWJEWSEHMM-LBPRGKRZSA-N 294.354 3.994 30 20 CHED CN(Cc1ccc(CSC(F)F)o1)CC(C)(C)C#N 816632489 KWDNVCJATLYLQO-UHFFFAOYSA-N 288.363 3.717 30 20 CHED N#Cc1ccc([C@@H](O)CNCCCCC2CCCC2)cc1 819120929 DDOQVBKHDGYLEK-SFHVURJKSA-N 286.419 3.542 30 20 CHED C=CC[C@H](NC(=O)[C@@H](CC)CCC)c1ccncc1 820018310 PMYIQOYKUHJJCG-ZFWWWQNUSA-N 260.381 3.641 30 20 CHED Brc1ccc(NN=C2CCCC23CCC3)cn1 834958225 ITLKEGLDOJUVHA-UHFFFAOYSA-N 294.196 3.966 30 20 CHED C[C@H]1CC(C)(C)CCC1=NN[C@H](C)C(F)(F)F 834999621 FYVLMOLRDKXJHI-DTWKUNHWSA-N 250.308 3.729 30 20 CHED C=CCON=C[C@H](C)c1cccc(Br)c1 835014862 BAQHUHKYOJJFHM-JTQLQIEISA-N 268.154 3.741 30 20 CHED CC(C)(C#N)COC(=O)[C@H]1CCC[C@@H]1c1ccccc1 835284318 GMWRTTVYCBOANK-CABCVRRESA-N 271.360 3.663 30 20 CHED C=C1[C@@H](OC(=O)C2(C)CCC(=O)CC2)C[C@H]2C[C@@H]1C2(C)C 835362258 MGZXKTTWNVZRLJ-SNPRPXQTSA-N 290.403 3.670 30 20 CHED C=CC(C)(C)C(=O)OCc1cnc2c(F)cccc2c1 835435019 IZKHQXGRCTVWGI-UHFFFAOYSA-N 273.307 3.629 30 20 CHED C=CCONC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 838706833 CXRBOKMJBUNYJW-CQSZACIVSA-N 294.782 3.598 30 20 CHED C#CCCOc1ccc(C(=O)N(CCC)C(C)(C)C)cc1 839301336 ZSPDBLQWZSFDOQ-UHFFFAOYSA-N 287.403 3.739 30 20 CHED COCCC(C)=NNc1cccc(Cl)c1Cl 841646566 ZJTCHHDYNYYVMD-UHFFFAOYSA-N 261.152 3.818 30 20 CHED C#CC1CCN(C(=O)[C@H](CCC)CC2CCCC2)CC1 843707092 MFHAEHZAGLHMAS-QGZVFWFLSA-N 275.436 3.855 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 845626880 ZPJWAUKSBJYOSI-BLLLJJGKSA-N 288.391 3.603 30 20 CHED C=C[C@H](C)ONC(=O)c1cc(C(C)C)nc2ccccc12 846544856 ZFIKKYRPOIEJIQ-LBPRGKRZSA-N 284.359 3.594 30 20 CHED C#C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1 851087656 SWOBBGBUYHCYKX-MRXNPFEDSA-N 299.345 3.907 30 20 CHED C[C@H](Cc1ccsc1)OC(=O)Cc1ccccc1CC#N 851147269 INRFRXDTHNCOKN-CYBMUJFWSA-N 299.395 3.531 30 20 CHED CC(C)CC(C)(C)C(=O)O[C@H](C)CC(C)(C)C#N 851209499 MBPCINKVCBLEJV-GFCCVEGCSA-N 253.386 3.930 30 20 CHED C=CCN(CC=C(Cl)Cl)CCc1ccco1 851913146 VEOJVICYUYAOFQ-UHFFFAOYSA-N 260.164 3.629 30 20 CHED N#CC1(c2ccc(-c3ccc(O)nc3F)s2)CCC1 854189545 MHACBOHURQVQPJ-UHFFFAOYSA-N 274.320 3.600 30 20 CHED CC/C(=C/C(=O)N(CC)[C@@H](C)C#N)c1ccc(C)cc1 856075959 SXECULVOEAINRR-XFNCEPBJSA-N 270.376 3.549 30 20 CHED CCC(=NNc1ccc(F)c(Cl)c1)[C@H]1CCOC1 863179593 ZBBKKCBPPQLIOS-VIFPVBQESA-N 270.735 3.694 30 20 CHED CCCOc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1C 863525693 FCYLWRSCUHQKKG-MRXNPFEDSA-N 274.364 3.662 30 20 CHED Cc1ccncc1-c1cc(C#N)cc(N2CCCC2)c1 871889228 FTSHJAUCJVOQMX-UHFFFAOYSA-N 263.344 3.529 30 20 CHED CCCCN(C(=O)c1ccc(C)c(C#N)c1)c1ccccn1 876082424 ODFPETRHZUATNL-UHFFFAOYSA-N 293.370 3.709 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2c(Cl)cccc2C1 878919007 FVXCDYQIOBYARF-UHFFFAOYSA-N 277.795 3.827 30 20 CHED C=CCC1(O)CCN(CC[C@H]2CCc3ccccc32)CC1 886778563 HJVMIZYCPSCSHQ-QGZVFWFLSA-N 285.431 3.510 30 20 CHED C[C@H](O)c1cc(N[C@H](C)CC(C)(C)C#N)ccc1F 894435406 OVVFHEGPZKTZPH-MNOVXSKESA-N 264.344 3.619 30 20 CHED C#CCCCCCc1nc(C2(CCOC)CCCC2)no1 896629323 ZTSXFZFDHAMSRT-UHFFFAOYSA-N 290.407 3.654 30 20 CHED C=CCC(CC=C)c1nc([C@@H]2CC2(Cl)Cl)no1 896805403 AIIUIOLTHCKBOJ-VIFPVBQESA-N 273.163 3.967 30 20 CHED COc1cccc(C(=O)/C=C\c2cnn(CC3CCC3)c2)c1 899335569 DXDFQGGCTQVNNZ-HJWRWDBZSA-N 296.370 3.588 30 20 CHED C#Cc1ccc(C(=O)N(CC)[C@@H](CC)c2ccncc2)cc1 900795585 QILZPLTYVCDZSI-SFHVURJKSA-N 292.382 3.676 30 20 CHED C=CC(C)(C)CCN[C@H]1CCC[C@H](CCCC(=O)O)C1 902420529 AIQXTCFZYKIKIT-CABCVRRESA-N 281.440 3.992 30 20 CHED Cc1cnc(C(=O)OCCCCC2(C#N)CCC2)c(C)c1 909148713 AOBSTOVNOWOZNZ-UHFFFAOYSA-N 286.375 3.719 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(C2CCCCC2)cc1 916530458 DOTOXUXRGYYUHM-LBPRGKRZSA-N 257.333 3.803 30 20 CHED CON=C(C)CCc1ccc(OCC=C(C)C)cc1 920371428 JIWCPICVTUHVRS-UHFFFAOYSA-N 261.365 3.987 30 20 CHED Clc1ccc(NN=C2CCc3c(Cl)cccc32)nn1 921251978 WXUGUVNYBCKHFU-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCCOc1ccc(F)cc1 924644202 UYJKCQAQPWZPGM-CQSZACIVSA-N 292.398 3.903 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1cccc(C#N)c1 925184336 BHAQKSRVIPMLPC-CHWSQXEVSA-N 255.365 3.537 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H](C)c1ccc(OC)cc1 929764955 ZWMQTYWCFDADNZ-KGLIPLIRSA-N 275.392 3.817 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)Nc2sccc2C#N)C1 931833432 FDRRLIDNAHSDBB-LLVKDONJSA-N 277.393 3.520 30 20 CHED CC1(CCC(=O)N[C@@](C)(C#N)CCc2ccccc2)CC1 932440729 YCUXOMXHGBEXDB-GOSISDBHSA-N 284.403 3.598 30 20 CHED C=CCC[C@@H](Nc1ccc(NC(C)=O)cn1)c1ccco1 1117112565 LMZUCBVLRMHHSC-CQSZACIVSA-N 285.347 3.752 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)cs1 1125212014 CWEXJBOOFFOXIB-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC[C@@H](C)[C@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 1167355891 DLSGVTDNUBQEND-CABCVRRESA-N 286.419 3.836 30 20 CHED CCCn1cc(CN(C)[C@H](C)c2cccc(C#N)c2)c(C)n1 1206377376 WLQUEGZAHHUXEY-OAHLLOKOSA-N 296.418 3.666 30 20 CHED CC[C@H](C)C(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1263524631 PVPKPBYVIDUMDG-GVXVVHGQSA-N 265.378 3.928 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCC1CCCCCC1 1289299089 SXAHUQDGFDHQDR-HNNXBMFYSA-N 264.413 3.888 30 20 CHED C[C@H](c1nccc2ccccc12)N(CCC#N)CC1CC1 1308590012 ZQMRRHZHHNOGJE-CQSZACIVSA-N 279.387 3.921 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1nccc2ccccc12 1308624813 CNBTZVKVUWWYDE-KGLIPLIRSA-N 267.376 3.777 30 20 CHED Cc1ccccc1-c1nnc(CCc2ccc(C#N)cc2)o1 1322207829 FXTNMYNQFNDAQJ-UHFFFAOYSA-N 289.338 3.702 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1ccc(C#N)s1)C2=O 1322322912 HZBNQJHRECAETM-GHXNOFRVSA-N 295.363 3.895 30 20 CHED Cn1c(Cl)cnc1CSCCCC(C)(C)C#N 1322629360 LHDFVTUJXLWFPK-UHFFFAOYSA-N 271.817 3.637 30 20 CHED CC[C@H](NCc1cccc(OCC#N)c1)c1ccsc1 1326622874 LFGHZMGUKWDGTD-INIZCTEOSA-N 286.400 3.891 30 20 CHED C=C(C)CCC(=O)NCC(C)(C)c1ccc(F)cc1 1335776410 PQOHPJJZBMFFKT-UHFFFAOYSA-N 263.356 3.576 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ccco1)c1ccccc1OC 1337535383 NGFWLOKTNYCWBR-GOSISDBHSA-N 299.370 3.850 30 20 CHED Cc1cc(C)cc([C@H](C)Nc2cccc(CC#N)n2)c1 1338244424 VIJQZTXUWRQDSX-AWEZNQCLSA-N 265.360 3.938 30 20 CHED C[C@H](CC(=O)OCC1(C#N)CCCCC1)c1ccco1 1342642022 CXIRGAAXKWHHFD-CYBMUJFWSA-N 275.348 3.790 30 20 CHED CC(C)(C)ON=Cc1ccc2ccc(F)c(F)c2n1 1347634552 RHJZKUVTUKCUAO-UHFFFAOYSA-N 264.275 3.662 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1ccccc1C#N 1349673367 MTOKZFCFVXPKKE-CQSZACIVSA-N 278.355 3.684 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1ncccc1C 1355520130 LUNUNXKSGHCHJN-HUUCEWRRSA-N 287.407 3.591 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 1435040289 DFZOQCPOQKEXOC-BLLLJJGKSA-N 288.366 3.786 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1cc(F)c(C#N)c(F)c1 1440939557 KUKUOMUXCWOBOC-UHFFFAOYSA-N 294.345 3.781 30 20 CHED CCc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc(CC)n1 1458131681 JNAATEIAGMSKPY-LBPRGKRZSA-N 280.375 3.646 30 20 CHED CO[C@H](COc1ccc(C#N)cc1F)c1ccc(F)cc1 1458997399 LBBHWLCQEDAMOW-MRXNPFEDSA-N 289.281 3.603 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)cc1)c1cccc(F)c1 1461691303 LYXBOWSKYUUXGG-UHFFFAOYSA-N 282.318 3.753 30 20 CHED Cc1cccc2c1CC(C)(C)N(CC1(CC#N)CC1)C2 1473494771 VUTJQOWJLNZHKG-UHFFFAOYSA-N 268.404 3.826 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)[C@H](CC#N)c1ccccc1 1517972824 YKJHBYWNOMBYDA-CVEARBPZSA-N 284.403 3.769 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2cc(C#N)ccc2F)s1 1518653872 CKKAGNHUNZILNL-SNVBAGLBSA-N 288.347 3.558 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cc(F)cc2ccoc12 1524845881 XCMOFMSBKIIAEV-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CCC(O)(CC)C(C)(C)CNc1cccc(F)c1C#N 1559234561 KKXZPTTYSDJVCP-UHFFFAOYSA-N 278.371 3.687 30 20 CHED CCc1ncoc1C(=O)Nc1cc2ccccc2cc1C#N 1583717129 KNRIYIJITPNYID-UHFFFAOYSA-N 291.310 3.514 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1C#N 1584088117 XIMPNTQBHRJCFH-PVXIVEMSSA-N 271.360 3.848 30 20 CHED CCCCCCC[C@@H](C)CNc1ncc(C(=O)O)cn1 1595705303 VHJTWMLIVQVUOW-GFCCVEGCSA-N 279.384 3.583 30 20 CHED CSc1ccccc1C(=O)/C=C/c1ccoc1C(=O)O 1610387280 PTJNQPUHZUBXAG-VOTSOKGWSA-N 288.324 3.596 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 1639418005 QAUZUQUXMCJGMM-UKRRQHHQSA-N 297.402 3.897 30 20 CHED C[C@@H](c1nccc2ccccc12)N1CCC[C@H](CC#N)C1 1652813076 WZCYNFUFEOAILG-LSDHHAIUSA-N 279.387 3.921 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cc1OC)C(C)(C)C 1654478945 IJQJEVDJJJHVFV-MRXNPFEDSA-N 274.408 3.871 30 20 CHED C=C(CNC(=O)N[C@]1(C)CCCC[C@H]1C)c1ccccc1 1686696618 KQWIREYPGSTTFM-CRAIPNDOSA-N 286.419 3.968 30 20 CHED C=CCC[C@H](C)N1CCC([C@H]2CCC[C@@H]2C(=O)O)CC1 1776166377 WEPBDIHGJXIEII-IMJJTQAJSA-N 279.424 3.554 30 20 CHED C=CCc1ccccc1CN1CC[C@]2(C(=O)O)CCCC[C@H]12 1776188210 WYGWCFNDBHWWLL-PKOBYXMFSA-N 299.414 3.634 30 20 CHED CCC[C@H](CC)NCc1ccc(O[C@@H](C)C#N)cc1 105461999 GAUIZDWMHIZLFG-ZFWWWQNUSA-N 260.381 3.646 30 20 CHED COc1ccccc1CCNc1cc(Cl)ccc1C#N 225682485 GYWSYMQKSCNOSI-UHFFFAOYSA-N 286.762 3.875 30 20 CHED N#Cc1ccc(CNc2cccc(Cl)c2F)cc1 20361610 FRKKQZDHYYRERF-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCCCCCCCC(=O)N(CC(=O)O)c1ccccc1 59138742 LRULYTDTSYPHNU-UHFFFAOYSA-N 291.391 3.855 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H]2CCc3ccc(F)cc32)n1 178492878 ZCVLIUFLZTVDIA-OAHLLOKOSA-N 299.374 3.884 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2Cl)C1 345287301 MKMSSDJKSNERMF-ONGXEEELSA-N 262.740 3.586 30 20 CHED C=CC[C@@H](C)NC(=O)c1nc(-c2ccccc2)oc1C1CC1 116860459 RJNWGRRQKAVGJJ-GFCCVEGCSA-N 296.370 3.913 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 175780749 XWPPMECZYBKYPY-QGZVFWFLSA-N 275.392 3.865 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 175180023 QVYGDGDFOHVSTE-INIZCTEOSA-N 273.376 3.715 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C(C)C 171919295 ABCDQPQPCVXXPM-CQSZACIVSA-N 272.392 3.589 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 301544036 DEHCNLJYENKOLA-CQSZACIVSA-N 284.309 3.830 30 20 CHED C[C@H](O/N=C(\N)C1CCCC1)c1ncc(C(C)(C)C)o1 177068443 NZZBRZORJUENPW-JTQLQIEISA-N 279.384 3.512 30 20 CHED CCN(Cc1cccc(Cl)c1)C(=O)NCCCCC#N 170886680 LRHKHYKHSXJMGQ-UHFFFAOYSA-N 293.798 3.565 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C1CC1 175323769 OUATYDQLQYKCIS-SDBXPKJASA-N 297.185 3.720 30 20 CHED C=CCCCC(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1 179316951 DEXQEAYANHECRT-OAHLLOKOSA-N 289.419 3.689 30 20 CHED CCN(CCOc1ccccc1C#N)CCc1ccccc1 60469254 MBCFGBWOBFRVNX-UHFFFAOYSA-N 294.398 3.502 30 20 CHED Cc1csc(C/N=C(\N)Nc2cccc(C(C)C)c2)n1 170909478 BBMJQCMRJGUOFZ-UHFFFAOYSA-N 288.420 3.502 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-c2ccsc2)nc1C 116850005 PSWVHPHZZQJHAB-LLVKDONJSA-N 286.400 3.813 30 20 CHED CC(C)c1cccc(N/C(N)=N/Cc2ccccc2F)c1 303721269 XKOISXLUAXTIMJ-UHFFFAOYSA-N 285.366 3.876 30 20 CHED C=C(Cl)CSc1nnc(C)n1CCc1cccs1 67757403 WJIGZIWYJGTHMR-UHFFFAOYSA-N 299.852 3.735 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ncc(C)s2)n1 179728155 IPAPBOKMZSUJFD-UHFFFAOYSA-N 275.402 3.627 30 20 CHED C[C@H](NCCCC#N)c1cccc(C(F)(F)F)c1 128375325 ZSMYTDWHJSURRH-JTQLQIEISA-N 256.271 3.660 30 20 CHED CC1(C#N)CCN(Cc2cc(Cl)cc(Cl)c2N)CC1 602602901 DNAUPTIOPYMKLK-UHFFFAOYSA-N 298.217 3.701 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1F 214945373 IKBHEWCUIRSVSR-WAPJZHGLSA-N 274.266 3.870 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)C1(C#N)CCCCC1 189690844 KOJLXDLUADKVFI-UHFFFAOYSA-N 290.794 3.739 30 20 CHED CCCCCCCCCCN1CC[C@@](C)(CN)C1 232933460 FQPQYASFPUETRP-INIZCTEOSA-N 254.462 3.798 30 20 CHED C=C(C)CNC(=O)c1ccccc1SC(F)(F)F 123061886 KXKTWZCWPCXXRR-UHFFFAOYSA-N 275.295 3.604 30 20 CHED CC(C)c1nc([C@H](C)NCCCCC#N)cs1 184726193 VPZOYXRWJXBPEN-NSHDSACASA-N 251.399 3.611 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC)c1cc(F)ccc1F 77858195 XYVGBTZCRVWHSE-HNNXBMFYSA-N 294.345 3.800 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H](C)C(C)C 189949624 OABXPCYOXUVCNB-CYBMUJFWSA-N 252.402 3.599 30 20 CHED C=CCC[C@@H](CCC)NC1CCC(COC)CC1 414311285 MHKNDQQFAPTVLX-HWOWSKLDSA-N 253.430 3.916 30 20 CHED C=CCCC[C@H](C)NC(=O)NC(C)(C)c1nc(C)cs1 181087871 DTASZKPFMGXZBN-NSHDSACASA-N 295.452 3.731 30 20 CHED C=CCSCCNC(=O)c1ccc(OC(C)(C)C)cc1 79537413 ZRVQDEGMTQCEIT-UHFFFAOYSA-N 293.432 3.513 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CC)c1cc(F)ccc1F 77579447 RLPBLCCYAFKWCD-YGRLFVJLSA-N 282.334 3.680 30 20 CHED CCC[C@H](C(=O)Nc1cccc(CC#N)c1)C(C)C 456748557 JYEIUQIKTIJMDC-HNNXBMFYSA-N 258.365 3.763 30 20 CHED C=C[C@H](C)NC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 128431023 CBOGOCRHHBBDQX-VIFPVBQESA-N 299.201 3.636 30 20 CHED C=CC[C@H](C(=O)NCCOCCC(C)C)c1ccccc1 188698582 IOSIZKSXTMCBJX-KRWDZBQOSA-N 289.419 3.525 30 20 CHED Cc1ccc(NCc2ccc(C#N)c(C)c2)c(F)c1 443996207 JDBNFUZHSCFFLQ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C[C@H](NCCC#N)c1cc(F)c(Cl)cc1Cl 34981136 UZFAHMLHUYJBTL-ZETCQYMHSA-N 261.127 3.697 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H](c2ccccc2)CC1 128249534 GIAPNYBYOPZRGH-GDBMZVCRSA-N 272.392 3.540 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)CCCC 503490089 VNMJEVOBDCYMPW-OAHLLOKOSA-N 284.403 3.899 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(C(C)=O)cn1)c1ccccc1 188874580 GJCUUBUUSXKAQK-INIZCTEOSA-N 294.354 3.583 30 20 CHED C=C(C)COCCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 126079886 XKORWKKWDVRVAV-DOTOQJQBSA-N 289.419 3.525 30 20 CHED CC#CCNc1cccc(C(=O)Nc2ccccc2)c1C 182304818 FXRZDHOHFPOHPB-UHFFFAOYSA-N 278.355 3.683 30 20 CHED CC(C)CCn1ccc(Nc2ncc(C#N)cc2Cl)n1 180076169 GPWHNKCHTQQYIQ-UHFFFAOYSA-N 289.770 3.593 30 20 CHED N#CCNC(=O)c1cc(Cl)ccc1SC1CCCC1 185720886 JWRRSNNCYFTIJL-UHFFFAOYSA-N 294.807 3.628 30 20 CHED COc1c(Cl)cccc1NCc1cc(C#N)cs1 159316850 XKTHXRQMKZOTHN-UHFFFAOYSA-N 278.764 3.894 30 20 CHED Cc1ccc(CCC(=O)Nc2ccccc2C#N)c(C)c1 73694524 SCGJJVHSKNKGRG-UHFFFAOYSA-N 278.355 3.746 30 20 CHED CC[C@H](CC#N)NCc1cnc(-c2ccccc2)s1 184085278 FSJKKFGJRKTYIZ-CYBMUJFWSA-N 271.389 3.592 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C(CC)CC)no1 410123286 SDYJIQKPXSZWSX-LBPRGKRZSA-N 264.369 3.663 30 20 CHED C=CCn1cnnc1SCc1ccccc1C(F)(F)F 48398316 HGNLYCFZCJKLKR-UHFFFAOYSA-N 299.321 3.775 30 20 CHED CC(C)Oc1ccc(NC(=O)c2cccc(F)c2)cc1C#N 131057327 NVCOWRDSVKVTNE-UHFFFAOYSA-N 298.317 3.737 30 20 CHED Cc1occc1CNCC#Cc1ccc(C(F)(F)F)cc1 414359866 FVCXJCVCNFOSEI-UHFFFAOYSA-N 293.288 3.748 30 20 CHED O/C(=N/CC1(C2CC2)CCC1)Nc1scnc1C1CC1 328924497 NQXAVRBVNZBKKC-UHFFFAOYSA-N 291.420 3.927 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)nc1 89269338 KBCMZYHXLBULCX-HOCLYGCPSA-N 299.761 3.549 30 20 CHED C#CCCCCNCc1ccc(Br)c(C)c1 229743045 JJENTUCQOPOARD-UHFFFAOYSA-N 280.209 3.651 30 20 CHED Cc1c([C@@H](C)OC(=O)C(C)(C)C#N)oc2ccccc12 139397534 QAXFEEXMBTUWKG-LLVKDONJSA-N 271.316 3.895 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1ccccc1SC 194594332 STNOFFLEVAUHFW-MDZDMXLPSA-N 286.400 3.601 30 20 CHED CSC[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 135436439 XNUVMGATDAMKGO-OAHLLOKOSA-N 279.836 3.519 30 20 CHED C=C[C@H](CC(=O)N1CCS[C@H](C)[C@@H]1C)c1ccccc1 135173404 MSSCYEHBEIHRHJ-RRFJBIMHSA-N 289.444 3.699 30 20 CHED Cc1ccc2c(CC(=O)Nc3ccc(C#N)cc3)c[nH]c2c1 82338689 KODPYFLOVLNMTI-UHFFFAOYSA-N 289.338 3.529 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCC[C@H](SCC)C1 424665199 NKFYYFJXTSYNLH-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED C[C@@]1(Cc2ccc(F)cc2)CCCN1c1ncccc1C#N 420612609 VKNXKAQJZFDIEI-SFHVURJKSA-N 295.361 3.694 30 20 CHED OC1=N[C@H](C/C(O)=N/C[C@@H]2CCCC(F)(F)C2)CCC1 329548808 IWEVBZBIFKVGAE-MNOVXSKESA-N 288.338 3.668 30 20 CHED C=C[C@H](CC(=O)N[C@@H](COCC)C(C)C)c1ccccc1 190996435 BHKXRONQSQQPCI-WBVHZDCISA-N 289.419 3.524 30 20 CHED C=CCCC(=O)Nc1cccc(C(F)(F)F)c1C 132487040 PYFHVVYWPSTPMJ-UHFFFAOYSA-N 257.255 3.919 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H]1CCCc2ccccc21 429930569 RVFURHSSZOVJQD-OAHLLOKOSA-N 271.404 3.825 30 20 CHED N#CC1(c2nc(CC3CCCC3)no2)CCCCC1 328854268 CHJBFKOUHLJLBI-UHFFFAOYSA-N 259.353 3.528 30 20 CHED N#Cc1cccc(OCCN2CCC[C@H]2C2CCCC2)c1 44352380 BIGMQFOPGSHOLV-SFHVURJKSA-N 284.403 3.592 30 20 CHED CC(C)[C@@H](C)Sc1c(C#N)cccc1[N+](=O)[O-] 425224148 CWBLWQIJRYQDBK-SECBINFHSA-N 250.323 3.603 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(O)=Nc1cccc2c1OCCC2=O 330031252 SXBAMLHCPVNITH-SJKOYZFVSA-N 287.359 3.922 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC2(CCCC2)C1 334732298 XFGDJMXUZWBYNM-UHFFFAOYSA-N 296.414 3.530 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1cccc(CC#N)c1 334982895 VGNCQGCDXMXYMP-KGLIPLIRSA-N 285.391 3.795 30 20 CHED N#Cc1ccc(OCc2cc(Cl)ccc2F)cc1 230400503 AASZVMYYUDRNDO-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC[C@H](/N=C(/O)Nc1ccc(F)c(C)c1)C1CCOCC1 331025416 VYDZGSXIAGPZGR-HNNXBMFYSA-N 294.370 3.665 30 20 CHED C=CCC[C@H]1NC(=O)N([C@H](C)c2ccc(C3CC3)cc2)C1=O 420084960 WRFSIJJDRWFLEA-MLGOLLRUSA-N 298.386 3.512 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1 96766550 FSEDHFJMNWHTMD-YHYXMXQVSA-N 251.260 3.593 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 424671497 HBNZERBMTJDTNN-GOEBONIOSA-N 271.404 3.993 30 20 CHED Cc1cc(N(C)C[C@@H](C)c2ccccc2)c(C#N)cn1 425221143 GCAWREFAKCXFCQ-CYBMUJFWSA-N 265.360 3.502 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@H]1CCOC3(CCCC3)C1)CC2 336004745 VSLZHNXZSHQZCK-FUHWJXTLSA-N 296.414 3.627 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)CCCC#N)CC1 332048427 VNCABWXTGHNBHQ-KBPBESRZSA-N 264.413 3.791 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2cnccc2C#N)C1 94158887 IMRYEKZIPAGAQW-GOSISDBHSA-N 277.371 3.511 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 513288212 ZZQOXDHMMSYVHP-AAEUAGOBSA-N 290.794 3.910 30 20 CHED C=C1CCN(C(=O)CCc2c[nH]c3c(C)cccc23)CC1 335720106 XRCDXSHSHBBGFB-UHFFFAOYSA-N 282.387 3.588 30 20 CHED N#Cc1cccc(CN2CC[C@@H](c3ccccc3)C2)c1 50266838 NFEBGVHGRUCBJQ-GOSISDBHSA-N 262.356 3.548 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 523967340 KWFPCUQTVSAFRH-ZIAGYGMSSA-N 289.419 3.832 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCC1 236229013 OUOPNJBZVAVADZ-UHFFFAOYSA-N 287.121 3.765 30 20 CHED C=CCCC(=O)N(C)c1nc2cc(Cl)ccc2s1 435964282 FZDBLRWNTYFLRE-UHFFFAOYSA-N 280.780 3.879 30 20 CHED CC(=O)c1ccc(NCc2cccc(C#N)c2F)cc1 341837316 PWHZNEWASWPLPS-UHFFFAOYSA-N 268.291 3.512 30 20 CHED CC(C)[C@@H]1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CCO1 341807186 MYBYNWZDUSEXPV-QRQLOZEOSA-N 298.430 3.729 30 20 CHED C=CCC[C@@H](C)NC1CCC2(CCOCC2)CC1 349514984 LGEXOVCYSFARHM-CQSZACIVSA-N 251.414 3.670 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(F)cn1 348222589 FOKJCNNRARIRTK-UHFFFAOYSA-N 270.351 3.799 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(OC)cc2)CCCC1(C)C 347481751 KJCOXWQGNMZWAB-MRXNPFEDSA-N 287.403 3.902 30 20 CHED Cc1ccnc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1C#N 435566835 BYZLKAFKQFVANA-DZGCQCFKSA-N 283.762 3.883 30 20 CHED CCCc1cc(O)nc(/C(=C\c2cccc(C#N)c2)CC)n1 435336874 RMEPRPURFQCTCB-GDNBJRDFSA-N 293.370 3.957 30 20 CHED CCN(CC1(CC#N)CC1)[C@@H](C)c1cccc(OC)c1 602765728 YRMPLDPMRNITJO-AWEZNQCLSA-N 272.392 3.772 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(OC)ccc1OCC 439495347 GEGJEFVOFVTMSZ-GFCCVEGCSA-N 292.379 3.570 30 20 CHED C=CCc1ccc(OCc2ncc(CC)o2)c(OC)c1 525700807 IOJYCRLHCJDPGP-UHFFFAOYSA-N 273.332 3.553 30 20 CHED CC(C)Cn1ncc(NCc2ccc(C#N)cc2)c1C1CC1 342284643 RCBMAMPAHVYKMW-UHFFFAOYSA-N 294.402 3.900 30 20 CHED Oc1ccc(C=Nc2cccc(Cl)c2Cl)c(O)c1O 255842814 IPAXOHNOVYMSCT-UHFFFAOYSA-N 298.125 3.861 30 20 CHED N#Cc1ccc(S[C@H]2CCO[C@@H](c3ccncc3)C2)cc1 600520281 IIYAEUUPLQQVQX-DLBZAZTESA-N 296.395 3.966 30 20 CHED C#CCC(C)(C)C(=O)N(C)Cc1ccc(C(C)C)cc1 184905489 MIDSXXJHZZHHRT-UHFFFAOYSA-N 271.404 3.818 30 20 CHED N#Cc1cccnc1Nc1ccc(F)c(C2CC2)c1 341409873 PHWJTBJVVSLXJP-UHFFFAOYSA-N 253.280 3.713 30 20 CHED Cc1ccc2c(CCNCc3cc(C#N)cs3)c[nH]c2c1 343931034 YBVRSDRYKDQIHL-UHFFFAOYSA-N 295.411 3.742 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(O)c(F)c1 255604691 FZBRHDRBTJYCDT-PLNGDYQASA-N 262.305 3.797 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCCNc2ccccc21 348229671 PGLNKIJDKHNELX-MRXNPFEDSA-N 271.408 3.853 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)c1ccnc(C)c1 343344039 CCLYHDWVEHRMLL-UHFFFAOYSA-N 284.407 3.750 30 20 CHED Cn1cc(/C=C2\Cc3ccc(F)cc3C2=O)c(C(C)(C)C)n1 255268230 ZRHQFJYLBNHJPT-XYOKQWHBSA-N 298.361 3.679 30 20 CHED CS[C@@H]1CCCCN(CC#Cc2cccc(Cl)c2)C1 441126812 PMUUKHZQLCLHQZ-MRXNPFEDSA-N 293.863 3.909 30 20 CHED N#Cc1cccc(OCCSCC2CCCC2)c1 62836048 BXDUBIZDHJTNKW-UHFFFAOYSA-N 261.390 3.860 30 20 CHED COc1cccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)c1 255404971 FFXXJMHXPNYJOR-WAYWQWQTSA-N 290.265 3.575 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[C@H](C)CC1 443593760 PRVDHVNLBMBANR-SWLSCSKDSA-N 285.391 3.957 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1cc2ccccc2s1 448929474 SCAAAWWOFMCXDP-GDLVEWKHSA-N 284.384 3.628 30 20 CHED Cc1ccccc1CCCN(C)Cc1ccc(C#N)cc1 440328040 RWGXMBHALRHXGR-UHFFFAOYSA-N 278.399 3.931 30 20 CHED C=CCC[C@H](NCCN(CC)C(C)C)c1ccco1 353499560 VJFOKTUZHULZTJ-HNNXBMFYSA-N 264.413 3.607 30 20 CHED C=C(CC)CSCC(=O)N[C@H](c1ccccc1)C1CC1 447035865 ZJOCJWLCZNJHTJ-QGZVFWFLSA-N 289.444 3.953 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)[C@H]1CC[C@@H](C)C1 359257929 XFYYWWXASVJINL-HIFRSBDPSA-N 288.439 3.747 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(CC#N)cc2)C[C@H]1C 448593525 BFCVXJYHTMRMSX-UMVBOHGHSA-N 270.376 3.763 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H](CC)CCCC 359396504 WWVONXATEAOGEB-CQSZACIVSA-N 250.386 3.521 30 20 CHED Cc1cc(C)n(-c2ccccc2NC[C@H](C)CCC#N)n1 602493905 UBLLRAZLGQWZPW-CYBMUJFWSA-N 282.391 3.841 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)c2c(F)cccc2Cl)C1 531570577 JCWCPMINLFQQCF-VOZQYIJBSA-N 294.757 3.596 30 20 CHED Cc1ccc(-c2cnc(Cn3cc(C)c(C#N)c3)o2)cc1 532766990 FZDHZMDPMFPWGT-UHFFFAOYSA-N 277.327 3.680 30 20 CHED C[C@@H](CC(=O)N(C)c1ccccc1C#N)c1ccccc1 359227263 WEBVYLKFHBMSEE-AWEZNQCLSA-N 278.355 3.715 30 20 CHED C=CCC1(C(=O)Nc2cnn(CC(C)C)c2C)CCC1 359893416 ACWMUJSPIXTSDW-UHFFFAOYSA-N 275.396 3.532 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1c(F)cccc1Cl 537225941 RIEBAVKNJBYYSU-NSHDSACASA-N 283.774 3.883 30 20 CHED COc1ccc(C2(CN[C@H]3CCC[C@H](C#N)C3)CCC2)cc1 446749503 ARGNPJHTMSASHD-RDJZCZTQSA-N 298.430 3.789 30 20 CHED Cc1ccc([C@H]2CCN(c3cnccc3C#N)C2)c(C)c1 359875218 LBAPTVAPQIIABV-INIZCTEOSA-N 277.371 3.564 30 20 CHED C=CCCC1(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 354310073 FONBKNXYUIFGPW-UHFFFAOYSA-N 281.359 3.762 30 20 CHED C=CCCOCCCCC(=O)NC[C@H]1CCC[C@H](C)C1 538298278 IGDGUKPOLWENBU-HOTGVXAUSA-N 281.440 3.692 30 20 CHED Cn1nc(CNc2c(Cl)cccc2C#N)c2ccccc21 612666995 PJPMXEORJQRBSQ-UHFFFAOYSA-N 296.761 3.710 30 20 CHED CCS[C@H](C)c1noc(CCCCCC#N)n1 350160892 HHLCYENEKZYAJR-SNVBAGLBSA-N 253.371 3.510 30 20 CHED C=C(C)CCc1noc(-c2cc(F)cc3cccnc23)n1 351640652 JKRUQNCHTAIQED-UHFFFAOYSA-N 283.306 3.933 30 20 CHED C[C@@H]1COC[C@@H](c2ccccc2)N1Cc1ccc(C#N)cc1 354886391 VXJSQLLDMLZQMQ-BEFAXECRSA-N 292.382 3.520 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(-c2cnco2)cc1 352526878 SVBBZFMSRLKSLD-UHFFFAOYSA-N 284.359 3.674 30 20 CHED N#Cc1cc(CN2CC[C@@H]2c2cccc(F)c2)ccc1F 610720109 UJITYXXLPAANAM-QGZVFWFLSA-N 284.309 3.783 30 20 CHED CCCCCCCCNC(=O)Cc1c[nH]c2ncccc12 269950772 PJILANIUMMDUNH-UHFFFAOYSA-N 287.407 3.582 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 456750744 MKOXRWOTXYOUSY-ZBFHGGJFSA-N 270.376 3.908 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1OCCF 455724497 PBAKPZLQRCECEZ-ZDUSSCGKSA-N 292.354 3.607 30 20 CHED N#Cc1ccc(OCCN2CC[C@H]2c2cccc(F)c2)cc1 610505757 VYTZVPOHTDEPHK-SFHVURJKSA-N 296.345 3.523 30 20 CHED C=CCC1(CN[C@@H](CC)[C@H]2CCOC2)CCCC1 453354737 HVVCUJZDFBWHAL-GJZGRUSLSA-N 251.414 3.528 30 20 CHED CCC1(c2ccccc2)CN(C(=O)C2(C#N)CCCCC2)C1 458236405 WRRYPOQZPHTQAP-UHFFFAOYSA-N 296.414 3.651 30 20 CHED C=CCN(C(=O)C1(c2ccc(Cl)cc2)CC1)C1CC1 272114749 OLGVOBUGBOUPDE-UHFFFAOYSA-N 275.779 3.549 30 20 CHED C[C@H](NCCc1cccc(F)c1F)c1ccc(C#N)cc1 549174259 QELLCMUPTOLKQY-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C[C@@H](CC(F)(F)F)N[C@@H]1CCCc2cc(C#N)ccc21 613516456 QMDKMCZSVCJDNI-IINYFYTJSA-N 282.309 3.866 30 20 CHED CCCCOc1ccc(C(=O)NC(C)(C)C#N)c(Cl)c1 545317321 QFCNKEOAXUKUTF-UHFFFAOYSA-N 294.782 3.551 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@](C)(CC)C1 549690834 KVHLNWUJNABJMB-RHSMWYFYSA-N 290.455 3.994 30 20 CHED C=C(C)CCN[C@H](C)c1nc(C(F)(F)F)cs1 278893785 JBXQIHIBMPLNDH-MRVPVSSYSA-N 264.316 3.779 30 20 CHED Cc1c(C(=O)/C=C/c2nc(Cl)cs2)cnn1C(C)C 276137076 BZCXXZPQZLORNJ-SNAWJCMRSA-N 295.795 3.778 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@](C)(CC)C1 540488662 XBQZFCSOWNEHDQ-HIFRSBDPSA-N 252.402 3.563 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(COC)cc2)no1 273783548 ROEQDVZICMNPGV-GFCCVEGCSA-N 288.347 3.537 30 20 CHED Cc1cc(CN(C)C)cc(N[C@H]2CCC[C@H](C#N)C2)c1 278365441 BQTQXCVUAPKVBD-HOCLYGCPSA-N 271.408 3.551 30 20 CHED N#Cc1cccnc1Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 276904023 MCFDBTVADDSIAQ-GUYCJALGSA-N 290.370 3.686 30 20 CHED C=CCN(C(=O)NC[C@H](C)Sc1ccccc1)C1CC1 540110428 FJTTZRASPKCIKS-ZDUSSCGKSA-N 290.432 3.527 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)nc1 272322955 WJQLYVICXQLSDS-GFCCVEGCSA-N 297.789 3.947 30 20 CHED C=CC(C)(C)c1nc(C2(c3ccccc3OC)CC2)no1 453183910 HZEZXJQTVVXSBX-UHFFFAOYSA-N 284.359 3.622 30 20 CHED C[C@H]1c2ccsc2CCN1c1cccc(C#N)c1[N+](=O)[O-] 450228701 MWIZANDOJKULHX-JTQLQIEISA-N 299.355 3.652 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C)cc1Br 454205376 QEHYCRVUPIRODW-UHFFFAOYSA-N 297.196 3.845 30 20 CHED C=CCOc1cccc(NC(=O)N(C)C2CC(C)(C)C2)c1 459366418 VFZHFBXMWUYCME-UHFFFAOYSA-N 288.391 3.904 30 20 CHED C=CCCN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 626101637 YZXSDPCMAAHVNP-ZDUSSCGKSA-N 274.191 3.583 30 20 CHED N#Cc1ccc(NCCc2ccc(F)c(F)c2F)c(F)c1 544068881 CZTGMSIRUMKCTF-UHFFFAOYSA-N 294.251 3.769 30 20 CHED C=CCC(C)(C)CNC(=O)N1[C@@H](C)CC[C@@H]1CC 458815782 YTVJKVAOGGLNDS-STQMWFEESA-N 252.402 3.561 30 20 CHED C=C(C)[C@H](N[C@H](C)c1csnn1)c1ccc(F)c(F)c1 450779501 OUNMXSUJRXLGPX-OTYXRUKQSA-N 295.358 3.784 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(Cl)c1OC 275490267 REEFRHRAPVAPJH-HNNXBMFYSA-N 297.782 3.516 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccc(Cl)cc1)C1CC1 271404797 MAMNYJLDEJKLHT-NSHDSACASA-N 278.783 3.761 30 20 CHED Cc1ccnc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c1C#N 541349698 YXTGLSMBWVLUMQ-WCQYABFASA-N 267.332 3.590 30 20 CHED N#Cc1cccc(CN[C@H]2CCC[C@H](c3cccnc3)C2)c1 374294508 KNNLODBZHLWGHU-HKUYNNGSSA-N 291.398 3.769 30 20 CHED C[C@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)CCO1 271225190 QMJZSDUIXCHHAZ-VMNJHTTHSA-N 288.174 3.685 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2cc(OCC)ccc2C1 467971483 USTKHAHEKWORBR-GOSISDBHSA-N 287.403 3.572 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C=C)c1ccccc1 281129107 TZHYQUKGEKQVTD-GOEBONIOSA-N 257.377 3.817 30 20 CHED CCCCCCCCC(=O)N1CCC2(CCOCC2)C1 374119036 KBBSQVXAJZGIQL-UHFFFAOYSA-N 281.440 3.766 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@H](OC)C(CC)CC 467958218 JRXXIZDSBKORSA-GOEBONIOSA-N 269.429 3.546 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc(C)c1F 464163807 WSOYKRWJUCABLP-INIZCTEOSA-N 276.355 3.501 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)nc2ccccc12 466530675 REEABSXXCSOHPR-CYBMUJFWSA-N 268.360 3.628 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(-c3cnc[nH]3)cc2)C1 633616989 LPHYKJUZACTOFX-AWEZNQCLSA-N 295.386 3.505 30 20 CHED C[C@H]1C[C@H](CCNc2c(F)cc(C#N)cc2F)C[C@@H](C)O1 558785392 PTNRZENMIPXVMX-ZSBIGDGJSA-N 294.345 3.842 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N[C@@H](C#N)C1CCCCC1 287474763 MNBMHPFAEWOSBQ-HNNXBMFYSA-N 288.391 3.914 30 20 CHED C=CCOCCCC(=O)N[C@H]1CCC[C@H]1CCC(C)C 463488938 GHDYVRAUZOENTF-HOTGVXAUSA-N 281.440 3.690 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCC[C@@H](C)C1 460957523 KSXODHLNDAWUMM-HUUCEWRRSA-N 290.455 3.994 30 20 CHED N#CC1(CCCN2CCC[C@@H]2c2ccccc2)CCOCC1 282007305 OATZYCHYNDFBJT-GOSISDBHSA-N 298.430 3.924 30 20 CHED Cc1cc(N2CCCC[C@@H]2CC(C)C)cc(C#N)n1 553448370 XSNFGFUFNREZPM-OAHLLOKOSA-N 257.381 3.667 30 20 CHED N#CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1 286981582 ORSGRPPJGXYKIA-UHFFFAOYSA-N 285.366 3.790 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@H](C)c2cccs2)no1 288930076 DYEOAUMYHDKWAU-NQBHXWOUSA-N 290.388 3.732 30 20 CHED C=C(C)COc1cccc(NC(=O)C[C@@H]2C[C@H]2C)c1 555021776 ZIXJVRKOTHQTTP-OLZOCXBDSA-N 259.349 3.626 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(F)cc2)no1 556271218 PKGXEKBTJAKPOM-UHFFFAOYSA-N 254.211 3.544 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2ccnc(C#N)c2)CC1 553603348 AWRSSQTYCJSERF-LJQANCHMSA-N 291.398 3.901 30 20 CHED N#Cc1ccc(CN(C#N)c2cccc(Cl)c2)cc1 478753446 BBDMBIWVKWVXIF-UHFFFAOYSA-N 267.719 3.699 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](C)c1ccc(C)cc1C 472761358 DWDAMJVKVQPDEU-CVEARBPZSA-N 261.409 3.623 30 20 CHED CCN(Cc1ccc(Cl)cc1C#N)c1cccc(O)c1 475727480 NRQULCUKCVKLGD-UHFFFAOYSA-N 286.762 3.944 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 297845994 NMVSVAOGPQDPQV-IUCAKERBSA-N 262.378 3.654 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H]2CCC2(C)C)cc1 806169603 NXWSQYFFGWVNIT-XJKSGUPXSA-N 257.377 3.538 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(Cl)c2)[C@@H]1SC 807943673 YTEKIEBQCCIAEE-OLZOCXBDSA-N 284.812 3.648 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCCOc1cccc(Cl)c1 803786941 RCNSUQWMGAGVFQ-HNNXBMFYSA-N 295.766 3.592 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1nccc(C#N)c1Cl 557583230 MHQDWHKQZUSNOV-NTZNESFSSA-N 275.783 3.764 30 20 CHED C[C@@H]1[C@@H](OC(=O)CCCCCC#N)CCC[C@H]1C 805911879 USOQLSOYQTVLCZ-RDBSUJKOSA-N 251.370 3.828 30 20 CHED C=CCCCCCCNC(=O)NCc1cc(C(C)C)no1 805116226 YEEPBXGUQCTLCW-UHFFFAOYSA-N 293.411 3.734 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2cccc(OCC#N)c2)C[C@H]1C 294397353 IEUINXJSMOKTRS-MGPQQGTHSA-N 286.375 3.600 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(C(F)(F)F)cc1 644787732 PVIRFLKXIZOGCM-UHFFFAOYSA-N 299.336 3.966 30 20 CHED C=CCOCCCN1CCC[C@H]1C1CCCCC1 470718951 ZMQMDMBDSDIQBC-INIZCTEOSA-N 251.414 3.624 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(O)c2)c(C)c1OC 806570007 NJCDPIHIUMYUKA-CLFYSBASSA-N 298.338 3.614 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2c(Cl)cccc21 560270205 QTIGCDVOXZLSSX-UHFFFAOYSA-N 263.768 3.831 30 20 CHED C[C@@H]1CC=C(C(=O)N(CCC#N)c2ccc(F)cc2)CC1 567849543 GWHROIDACBHPFF-CYBMUJFWSA-N 286.350 3.819 30 20 CHED C=CCC[C@H](O)CN(Cc1cccc(Cl)c1)C(C)C 472751114 NSYZSBJIBBUWPS-INIZCTEOSA-N 281.827 3.878 30 20 CHED C=C(C)CS(=O)(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 477592958 QCCGCOCWLOTYBC-OAHLLOKOSA-N 295.448 3.578 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N1CCC(CCC#N)CC1 566564406 WHJZOUXYKTZEFH-AWEZNQCLSA-N 276.424 3.745 30 20 CHED N#Cc1cc(N(C#N)CCCC2CCCC2)ccc1F 479970558 WOWYEJNVEXNQSM-UHFFFAOYSA-N 271.339 3.955 30 20 CHED C[C@@H](CCOc1ccccc1C#N)OCc1ccccc1 473674723 JJTLEWLEDDYWGD-HNNXBMFYSA-N 281.355 3.932 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)c1nc2ccccc2o1 296746976 DOQDHJHZIVYCOG-JTQLQIEISA-N 259.305 3.644 30 20 CHED Fc1cccc2c1CCC2=NNc1nccnc1C1CCC1 807991715 QEYFAHDSZMOWMB-UHFFFAOYSA-N 296.349 3.646 30 20 CHED CCCN(C(=O)Nc1cc(C#N)ccc1OCC)C(C)C 566424533 XXHFWVBPLITLLQ-UHFFFAOYSA-N 289.379 3.609 30 20 CHED C#C[C@H](C)N[C@H](C)CCc1ccc(OC/C=C\C)cc1 809684340 ZDHKZYZJXKFARR-JKWYKVDLSA-N 271.404 3.574 30 20 CHED C=CCC(F)(F)C(=O)Oc1cccc(OC(F)(F)F)c1 816032842 QGRJWADBKVCJDO-UHFFFAOYSA-N 296.191 3.702 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCc3ccc(F)cc3)c2c1 487931239 HBTAMIYVIBBCAY-UHFFFAOYSA-N 291.329 3.588 30 20 CHED CC(C)c1ncc(/C=C2/Cc3ccc(C#N)cc3C2=O)s1 811693866 LUMCCPQVJMKDOD-QPEQYQDCSA-N 294.379 3.961 30 20 CHED CC1(C)CCCc2cc(C#N)c(N3CCC=C(F)C3)nc21 485971917 AOJQDONMUOAZBZ-UHFFFAOYSA-N 285.366 3.631 30 20 CHED C[C@@H]1CC(=NNc2c(F)cccc2Cl)CC[C@H]1C(=O)O 814904866 CBAFLEFCNFUMGE-PSASIEDQSA-N 298.745 3.768 30 20 CHED C=CCCCCCCNC(=O)NCc1cc(C)nc(C)c1 817167580 PAOLROOINGIIKT-UHFFFAOYSA-N 289.423 3.634 30 20 CHED CN1CCCc2cc(NCc3ccc(C#N)c(F)c3)ccc21 817409856 FWNGKYWOPGCNAQ-UHFFFAOYSA-N 295.361 3.692 30 20 CHED N#Cc1ccc(N[C@H]2CCN(c3ccccc3F)C2)c(F)c1 488776794 APJRLYQEOSZIHL-ZDUSSCGKSA-N 299.324 3.527 30 20 CHED C(=NOCC1CC1)c1cnc(C2CCCC2)s1 814245289 WCURBORNWVYKRR-UHFFFAOYSA-N 250.367 3.561 30 20 CHED Fc1cccc(N2CCCC2)c1C=NOC/C=C\Cl 811671787 WORYDIITCURSEO-MSVGHERUSA-N 282.746 3.529 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cc(F)c(N)c(F)c1 814753550 QCJTYDAZUVDFKU-UHFFFAOYSA-N 289.329 4.000 30 20 CHED COCC(=NNc1cccc(C#N)c1)c1cccc(Cl)c1 814786250 ARTBUXUNBSHCPB-UHFFFAOYSA-N 299.761 3.674 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(CCC)cc1 814506708 DADLMQSVQRUIEC-UHFFFAOYSA-N 271.364 3.573 30 20 CHED CC(C)CCc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1 574245381 ZJSSCOIVHSTAIO-CXAGYDPISA-N 270.376 3.763 30 20 CHED C=CCC(C)(C)CNCc1ccc(N(C)C)c(F)c1 815141986 LEEFUVQONRDYFY-UHFFFAOYSA-N 264.388 3.584 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@@H](C(=O)O)[C@H](C)C1 814858745 FQDWWMXKNZJPGK-VNHYZAJKSA-N 282.428 3.812 30 20 CHED C[C@H](NN=C1CCc2c(Cl)cccc21)c1ccncc1 819814509 ABUZALQVNNIOSL-NSHDSACASA-N 285.778 3.736 30 20 CHED C=C(Br)CN1CC[C@@H](c2cccc(F)c2)C1 729545000 PKGGTWYWVBKLSL-GFCCVEGCSA-N 284.172 3.524 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccc(CC)cc1)C(C)C 727706474 DOPDOWSHYDRGKY-AWEZNQCLSA-N 259.393 3.776 30 20 CHED CCCCOc1ccccc1C=NOCCOC(C)C 812239134 NJICKYYBZGNTOU-UHFFFAOYSA-N 279.380 3.641 30 20 CHED CN(Cc1c(O)ccc2ccccc12)CC(C)(C)C#N 816632347 DVVBYXAWKNOUEK-UHFFFAOYSA-N 268.360 3.527 30 20 CHED Cc1cc(C)c2c(c1)C(=NOCCOC(C)C)CCCO2 812240706 YSEQIWJZRLETEN-UHFFFAOYSA-N 291.391 3.622 30 20 CHED N#Cc1ccc(-c2ccn(CCOc3ccccc3)n2)cc1 728710933 QHLWDAPXJOHTNB-UHFFFAOYSA-N 289.338 3.501 30 20 CHED C[C@H](Nc1ccc(NC(=O)O)cc1)c1ccc(C#N)cc1 827773587 RGBIPNRNOATXJD-NSHDSACASA-N 281.315 3.821 30 20 CHED C=CCNC(=S)N[C@@H](CCCC)c1ccc(OC)cc1 728450680 DFFPGCQZGNZIIQ-HNNXBMFYSA-N 292.448 3.577 30 20 CHED CC#CCCNC(=O)c1oc2c(Cl)cccc2c1C 498606643 OXUDPCREVKUWKN-UHFFFAOYSA-N 275.735 3.538 30 20 CHED C[C@H]1C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)CC[C@H]1C 573143933 HNFIMQQTDYPLQS-VNVHMNPZSA-N 268.404 3.960 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1ncco1 826927826 ICTPRBIXHSHVRY-LBPRGKRZSA-N 270.332 3.882 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@H]2CCCC[C@@H]2C)no1 576731938 OBXOSBCHXBMWOD-GWCFXTLKSA-N 282.347 3.605 30 20 CHED CCC[C@H](/N=C/c1cccc(OC)c1O)c1ccccn1 729150893 ZNOXONGWWFECLE-BXUJETTOSA-N 284.359 3.756 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(SC(F)(F)F)c1 829975289 JKUHIFQHHDYIAF-QMMMGPOBSA-N 275.295 3.603 30 20 CHED C=CCN(C(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 820802102 ZMJUZEHYNSJFJD-SDNWHVSQSA-N 293.366 3.928 30 20 CHED C=CCCNC(=O)N1CCC[C@@H]1c1c(C)cccc1C 661565803 UQEALOLAUYSJKW-OAHLLOKOSA-N 272.392 3.726 30 20 CHED CC1(C#N)CCC(NCc2ccc(-c3cnco3)cc2)CC1 906519810 GSHGOFMWRGYYMU-UHFFFAOYSA-N 295.386 3.904 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1cc2occc2s1 735995457 YVKVHCQSJFFVAY-UHFFFAOYSA-N 299.307 3.594 30 20 CHED C=CCC1(NC(=O)NC[C@H]2CCC(F)(F)C2)CCCC1 664797383 DAIODLJQSBVEIL-LBPRGKRZSA-N 286.366 3.610 30 20 CHED C=CC[C@H]1CCCN(c2nnc([C@@H](C)CC)n2CC)C1 669099324 PRNPIVHZGMHXDZ-KBPBESRZSA-N 276.428 3.604 30 20 CHED c1ccc(CSCCCON=C2CCCOCC2)cc1 588398797 XNRYLNHLCRPTGG-UHFFFAOYSA-N 293.432 3.883 30 20 CHED Cc1cccc2c(=NCC(C)(C)CCC#N)c(C#N)c[nH]c12 588844707 UVVWRTRNUCQJJH-UHFFFAOYSA-N 292.386 3.579 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cc(Cl)c(N)c(Cl)c1 903106482 RIHOAWYGKSOCON-MRVPVSSYSA-N 284.190 3.530 30 20 CHED C=CCOc1cccc(CN[C@H]2CCC[C@@H](F)C2)c1 582546083 ZKQOQGAFPYJAIF-CABCVRRESA-N 263.356 3.622 30 20 CHED C=CCOCC(=O)N[C@H](CC1CCCCC1)C(C)(C)C 582598108 NIMVLLNWPNPMQP-OAHLLOKOSA-N 281.440 3.690 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)CC/C1=C\c1ccc(F)nc1 588523443 CXJDBFIKKWSDCW-MFUUIURDSA-N 298.292 3.585 30 20 CHED CC(C)(C)C(=O)Nc1ccc(-c2ccccc2C#N)cn1 589962490 IRIQCTPSOBXHBZ-UHFFFAOYSA-N 279.343 3.605 30 20 CHED C#CC1CCN(C(=O)Nc2ccccc2C(C)(F)F)CC1 831845324 XOIFUSDURZRDKG-UHFFFAOYSA-N 292.329 3.675 30 20 CHED C=C(CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 589337291 XYSRQAQZZGSFDP-LJQANCHMSA-N 274.367 3.849 30 20 CHED C[C@H](NN=C/C=C/c1ccc(F)c(F)c1)C(F)(F)F 834998380 TWBTZKHYOBUJTJ-CPAKVPMESA-N 278.224 3.504 30 20 CHED CC(C)(C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 839051254 NDRGNFHIJGFHOO-WFASDCNBSA-N 289.350 3.729 30 20 CHED C=CCCCN[C@H](C)c1ccc(C(F)(F)F)cn1 902976643 SXMATOUIVYTYTD-SNVBAGLBSA-N 258.287 3.717 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)CCCCCC#N)c(C)c1 588157504 ZCUOICDJYLPJHG-INIZCTEOSA-N 286.419 3.825 30 20 CHED O=C(C#CC1CC1)N[C@H](Cc1ccccc1)c1cccs1 837423730 JHRGGQUNNNQTEN-MRXNPFEDSA-N 295.407 3.562 30 20 CHED N#Cc1cccc(NN=Cc2ccnc3ccccc23)c1 731314234 HKNXAEBWCXSXMO-UHFFFAOYSA-N 272.311 3.552 30 20 CHED C=CCOc1cccc(/C=C2/N=C(C(C)(C)C)OC2=O)c1 834714011 LFDBGGOOBRORMX-SDNWHVSQSA-N 285.343 3.594 30 20 CHED Cc1cccc(C)c1CN(C)CCOc1cccc(C#N)c1 738313644 KAQISPWSRIBFGP-UHFFFAOYSA-N 294.398 3.686 30 20 CHED N#Cc1ccc(-c2ccc3ncnc(O)c3c2)cc1Cl 585818493 FERQPLGUVSDNIS-UHFFFAOYSA-N 281.702 3.527 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc3scnc3c2)C1 905936242 VAJHKXDEHYSPFJ-CMPLNLGQSA-N 286.356 3.535 30 20 CHED N#CCc1cccc(C(=O)OC[C@H]2CCCCC2(F)F)c1 835641153 GTEBMUWFMFPRMD-CQSZACIVSA-N 293.313 3.735 30 20 CHED C=CCCCOC(=O)[C@@H](C)Cc1cccc(F)c1 735532153 KBWCCOURAFKEHN-LBPRGKRZSA-N 250.313 3.514 30 20 CHED CC(C)c1ccc(CN(C)c2ccnc(C#N)c2)cc1 586957417 XJBIPTXZUQFCOC-UHFFFAOYSA-N 265.360 3.713 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)COc2ccc(F)cc21 731565384 NETGBIQSKVFQFG-UXBLZVDNSA-N 290.240 3.763 30 20 CHED C#CCCCCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 830039545 PXYTXPIOYOAMLZ-WKILWMFISA-N 261.409 3.513 30 20 CHED CC(CCc1ccco1)=NNCc1cccc2cccnc12 915963332 SJXZMTUDGBMOFI-UHFFFAOYSA-N 293.370 3.926 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCC2CC(F)(F)C2)cc1 835487766 OXAVMJQTUHFQCE-UHFFFAOYSA-N 293.313 3.690 30 20 CHED C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 839043172 KIQHLDBMCZWHKK-IIAWOOMASA-N 271.360 3.806 30 20 CHED C=CCC1(C(=O)OCc2ccccn2)CCCCC1 838149796 HCHDWHBUSCDHPE-UHFFFAOYSA-N 259.349 3.651 30 20 CHED COC1(C(=O)OCCCC(C)(C)C#N)CCCCCC1 910220094 ZTYPPBFJNAEAFK-UHFFFAOYSA-N 281.396 3.599 30 20 CHED C#CCCCNC(=O)N(C)C1CCC(C(C)(C)C)CC1 745899637 HQKNQCUTTNBLEY-UHFFFAOYSA-N 278.440 3.646 30 20 CHED CC(C)C[C@@H]1CCCN1c1nc(C#N)c(Cl)s1 596098705 UOQSMISQDRZTIU-VIFPVBQESA-N 269.801 3.683 30 20 CHED N#Cc1ccc(COc2ccnc3c2CCCC3)c(F)c1 594493447 PBGZFLQJGOHELO-UHFFFAOYSA-N 282.318 3.550 30 20 CHED COc1ccc(CNN=C(C)Cc2ccccc2C)cc1 743438962 QJAFCUZVWKHNGG-UHFFFAOYSA-N 282.387 3.712 30 20 CHED C=C(CNc1nc(C(C)C)ns1)c1ccccc1 673461333 BPAMICQHGRSSHK-UHFFFAOYSA-N 259.378 3.787 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccccc2Cl)c1 915978591 ICMUDVXGNQIDCA-UHFFFAOYSA-N 280.705 3.742 30 20 CHED CCCCOc1ccccc1NCC1(CC#N)CC1 593931842 MPVDOUOBINXRTH-UHFFFAOYSA-N 258.365 3.971 30 20 CHED CCN(C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1ccc(F)cc1 598586658 KJIOIQXMQNRHEW-CJNGLKHVSA-N 292.398 3.509 30 20 CHED CC(CCCCC#N)=NN[C@@H]1CCc2c(F)cccc21 841639923 BCLQEGSGFYUVLZ-MRXNPFEDSA-N 273.355 3.862 30 20 CHED COCCON=C1CCC[C@@H]1c1ccc(Cl)cc1 748789799 ZDCJTZSGGMUPLX-CYBMUJFWSA-N 267.756 3.627 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 593489184 GJUURNGSZRLABB-HKCMKHECSA-N 290.794 3.703 30 20 CHED CC1(C)CCC/C(=C\c2ccc(C(=O)O)c(F)c2)C1=O 849246636 JJIBDURVBRKIPB-DHZHZOJOSA-N 276.307 3.687 30 20 CHED CCCCCC[C@H](C)NN=C(C)c1nccs1 743450186 HFIYSRJMUGLZBO-NSHDSACASA-N 253.415 3.816 30 20 CHED CC(C)Oc1cccc(C/N=C\c2ccccc2O)c1 915981108 LXIBUMMQGRJAGB-PDGQHHTCSA-N 269.344 3.799 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 675934462 ZRNZYIVWIZETCU-QWRGUYRKSA-N 273.298 3.853 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc(C(F)F)cc1F 847731080 YUMMHDPHERLRSJ-VIFPVBQESA-N 270.250 3.722 30 20 CHED C#CCOc1cccc(NC(=O)N[C@@H](C)C[C@H](C)CC)c1 743147085 MEPCODHXVLXENR-KGLIPLIRSA-N 288.391 3.645 30 20 CHED C=CCC1(C(=O)O[C@H]2CCCc3cccnc32)CCC1 845647566 VCWGKYHIWOKBBG-AWEZNQCLSA-N 271.360 3.749 30 20 CHED C[C@@H](C(=O)OCC(C)(C)CC#N)c1ccc(Cl)cc1 845516646 HEFFRYAMNRFJSL-LLVKDONJSA-N 279.767 3.927 30 20 CHED CCCCCCO[C@@H](C)C(=O)Nc1scc(C)c1C#N 841231915 NDOCVHZGYXWRKX-LBPRGKRZSA-N 294.420 3.852 30 20 CHED CN(C)c1ccc(/C=C2/CCc3c(O)cccc3C2=O)cc1 742433972 BKZXEACPMZVLAM-OWBHPGMISA-N 293.366 3.671 30 20 CHED C=C(Cl)C[S@@](=O)CCCOc1ccc(Cl)cc1 914522755 QROYUDKXGAJICS-KRWDZBQOSA-N 293.215 3.610 30 20 CHED Cc1ccc(-c2cnc(CN3CCC[C@H](CC#N)C3)o2)cc1 595615775 SUNYYMOYKOFBCX-OAHLLOKOSA-N 295.386 3.776 30 20 CHED C[C@@H]1/C(=C/c2ccc(C#N)s2)C(=O)c2c(O)ccc(F)c21 749000244 WINYELZVBHBHAJ-QKNMJKLUSA-N 299.326 3.848 30 20 CHED CCSCC[C@H](C)N(C)C(=O)CC1(C#N)CCCCC1 597325520 SJUHZOMGWOKNBN-AWEZNQCLSA-N 296.480 3.841 30 20 CHED CC[C@@H]1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 597259751 HRCQYHNKZZEJQP-OAHLLOKOSA-N 276.424 3.889 30 20 CHED CSc1cc(F)ccc1NC(=O)NCC(C)(C)CC#N 592278084 HJGFTUIBWWIYOF-UHFFFAOYSA-N 295.383 3.609 30 20 CHED C[C@H]1N(C(=O)c2ccc(C#N)cc2)c2ccccc2C1(C)C 598273919 HVWHHBLQAAJIMO-CYBMUJFWSA-N 290.366 3.885 30 20 CHED CCC(Cc1ccccc1)=NNC(=S)NCCC(C)C 745806999 ROEIRYXFWDBJDK-UHFFFAOYSA-N 291.464 3.505 30 20 CHED COc1cccc(C(C)=NNc2cc([N+](=O)[O-])ccc2C)c1 747061881 OJVPSGZBRWWJKG-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C=CCCCCSC1CCC2(CC1)OCCO2 849940965 FPVNZSBFMABXBN-UHFFFAOYSA-N 256.411 3.762 30 20 CHED CCc1ncc(CN(Cc2ccc(C#N)cc2)CC(C)C)o1 929396732 DQZHSPOYJGJUIO-UHFFFAOYSA-N 297.402 3.767 30 20 CHED C=C(Br)COC(=O)C[C@@H]1CCCC[C@@H]1C 920724965 JBXOKGITYJPZKZ-ONGXEEELSA-N 275.186 3.655 30 20 CHED C=CCN(C(=O)Cc1coc2cc(F)ccc12)C(C)(C)C 857650815 KBDIGBDTNNMQIU-UHFFFAOYSA-N 289.350 3.928 30 20 CHED C=C1CC(c2noc([C@@]3(C)CCOc4ccccc43)n2)C1 924122313 BWCILSBEOWGGFG-KRWDZBQOSA-N 282.343 3.592 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)CCc1cncs1 851141532 BAQPOEGKQYHJOC-TZMCWYRMSA-N 279.405 3.754 30 20 CHED O=C1/C(=C/c2ccc(O)c(F)c2)CCc2sccc21 755592338 ZPKKDTCGIRWLEP-JXMROGBWSA-N 274.316 3.805 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)CCc2cc(O)ccc21 759082636 GHULXJDJGYSDCX-TWGQIWQCSA-N 291.759 3.715 30 20 CHED C/C=C\c1ccc(OC(=O)c2ccc(C#N)s2)c(OC)c1 750682064 DFTVAUMEOCLWOP-ARJAWSKDSA-N 299.351 3.881 30 20 CHED CC(=NNc1cncc(Br)c1)c1ccc(C)o1 758122154 FWPZYXYUNSLSSQ-UHFFFAOYSA-N 294.152 3.582 30 20 CHED CCC1(C)CCC(=NN=C(C)c2cnccn2)CC1 751528820 IMVKGVVCQWCCAA-UHFFFAOYSA-N 258.369 3.632 30 20 CHED O=C(/C=C\c1cc2cc(F)ccc2o1)c1ccnc(O)c1 752875601 IEIFNQMJXYOZBD-IHWYPQMZSA-N 283.258 3.569 30 20 CHED CCCCCCCNC(=O)N1CCC([C@@H]2CCCO2)CC1 858112634 HFXYLVIEOJEQQU-INIZCTEOSA-N 296.455 3.557 30 20 CHED CC[C@H](N[C@@H](c1cnn(C)c1)C(C)C)c1cccc(C#N)c1 927066415 MZPSZSDZRBFMCO-ZWKOTPCHSA-N 296.418 3.730 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)CCc2cc(O)ccc21 755592141 XBBOZFUQLSBFAU-LFYBBSHMSA-N 286.277 3.883 30 20 CHED N#CCCCC(=O)OCc1c(Cl)oc2ccccc12 856936168 MHHHJUIONDGUOZ-UHFFFAOYSA-N 277.707 3.823 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](c2ccccn2)C2CC2)C1 925571926 GWHMYZAIKWPFMY-YOEHRIQHSA-N 299.418 3.530 30 20 CHED C#CCCCC(=O)N(C)Cc1ccc(Cl)cc1Cl 757789776 BLEDSMNESCJSIO-UHFFFAOYSA-N 284.186 3.755 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1c[nH]c2cccc(C)c12 755996446 WZHCTNMEIZHYHJ-GFCCVEGCSA-N 257.333 3.527 30 20 CHED C=CCCCCCCCNC(=O)c1csc(C=O)c1 752981841 GNYBDZQVKDOYGF-UHFFFAOYSA-N 279.405 3.817 30 20 CHED C#CCCCCNC(=O)[C@@H](C)c1ccccc1C(F)(F)F 758627150 VXMSZCTZBAAHKM-LBPRGKRZSA-N 297.320 3.729 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 755324709 AEBGBKZSSJCZSM-STQMWFEESA-N 258.365 3.574 30 20 CHED N#Cc1ccccc1/C=C1\Cc2c(F)cccc2C1=O 755590761 ORYDVXCJQQDOLP-MDWZMJQESA-N 263.271 3.520 30 20 CHED CC(CC1CCOCC1)=NNc1ccc(Cl)cc1 757560776 JJBGBMKIZKMMRD-UHFFFAOYSA-N 266.772 3.945 30 20 CHED COc1cc(Cl)ccc1CN[C@H](C)CC(C)(C)C#N 924997003 DRSUGTSLTDZANI-LLVKDONJSA-N 280.799 3.767 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C(C)CC1CCC1 758375415 UFCDYGZSUYDLLM-UHFFFAOYSA-N 277.324 3.581 30 20 CHED C(=NOCc1nc(-c2ccccc2)cs1)C1CC1 853735029 NKGPTAYDAGFDMM-UHFFFAOYSA-N 258.346 3.723 30 20 CHED C=CCCC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 757816379 MIBITHFCCUWADR-CQSZACIVSA-N 271.360 3.515 30 20 CHED CCCC(=NO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 755816941 XGXIAHWBVZWPRY-OAHLLOKOSA-N 292.335 3.642 30 20 CHED N#Cc1ccc(F)cc1COC(=O)/C=C\c1cccc(F)c1 759350052 YTKWHEBKJDMMAY-DAXSKMNVSA-N 299.276 3.593 30 20 CHED Cc1ccc2c(C=NN3CCCC[C@@H]3C)c[nH]c2c1 853379510 IBJGXQLBAJTQMX-ZDUSSCGKSA-N 255.365 3.685 30 20 CHED COc1cc(F)cc(NN=Cc2cccc(C)c2)c1 759212933 QALZPZXENZMCGL-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C#CC[C@@H](NCc1ccc(Cl)o1)c1ccccc1 756998286 UIIYZWBQROXYGM-CQSZACIVSA-N 259.736 3.787 30 20 CHED C[C@@H]1CN(Cc2cc(F)ccc2C#N)Cc2ccccc21 759332410 LLSXOLXRTWZZNU-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=CCCC(CC)=NNc1oc(C(C)(C)C)nc1C#N 750937803 YUSUPKFMFZNAAI-UHFFFAOYSA-N 274.368 3.988 30 20 CHED C#C[C@H](CC)NC(=O)c1cc(C)n(C2CCCCC2)c1C 754379150 JBSZXSKPHIRTDU-OAHLLOKOSA-N 286.419 3.752 30 20 CHED FC(F)(F)c1ccccc1ON=Cc1cncs1 754712691 PPMWBNQSKASERS-UHFFFAOYSA-N 272.251 3.575 30 20 CHED CCCCc1nnc(S)n1N=C[C@H]1CCC[C@H](C)C1 768351366 FPLMRNDDFQXTLB-RYUDHWBXSA-N 280.441 3.570 30 20 CHED CC[C@H](NCC[C@@H](O)C1CCCC1)c1ccc(C#N)cc1 866638484 QTQCLKZRRQYNFH-ZWKOTPCHSA-N 286.419 3.540 30 20 CHED Cn1cc(NN=C2CCCc3c2sc2ccccc32)cn1 761881447 NLVSUKQWXPQETI-UHFFFAOYSA-N 296.399 3.787 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2c[nH]c3ccccc23)ccc1F 769829197 DYMBXUHNJTWDMZ-UHFFFAOYSA-N 298.277 3.661 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2)cc1 765826898 VMGNFDZRSDNBJG-IZZDOVSWSA-N 296.322 3.680 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCCn2c(cc3ccccc32)C1 936001918 YJVGXFCNMBTSOZ-HNNXBMFYSA-N 296.414 3.976 30 20 CHED C#CCSCCN[C@H](C)c1ccc(OC(C)(C)C)cc1 765813019 UPICLICBENULCT-CQSZACIVSA-N 291.460 3.881 30 20 CHED CC#CCCOC(=O)c1ccc(-c2cccs2)nc1C 765420974 LHRROEDNHMCTIL-UHFFFAOYSA-N 285.368 3.689 30 20 CHED CCOc1ccc(C=Nc2cc(F)cc(F)c2)c(O)c1 769730338 SLZAOCYOXHLVPN-UHFFFAOYSA-N 277.270 3.820 30 20 CHED Cc1ccc(COC(=O)c2ccc(CC#N)cc2)cc1F 766614037 GDYQJESGQOGGKS-UHFFFAOYSA-N 283.302 3.557 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(C#N)s1 762439974 BMGQVOKBVNPMPP-UHFFFAOYSA-N 277.299 3.734 30 20 CHED C=CCCCC(=O)Nc1cc(-n2cccc2)ccc1F 1116206068 VRKZDOZAJISWLF-UHFFFAOYSA-N 272.323 3.911 30 20 CHED CC[C@H]1CC(=NNc2c(F)cccc2Cl)CCO1 769827468 ZOBVZLBAPJJGCU-JTQLQIEISA-N 270.735 3.836 30 20 CHED O=C1CCCN1N=CCCCc1cccc(C(F)(F)F)c1 769799316 SNZNSUIVNQOCBQ-UHFFFAOYSA-N 298.308 3.636 30 20 CHED C#CCCc1noc(-c2ccc(CC(C)C)cc2)n1 762000366 CQSINHXBKFQWED-UHFFFAOYSA-N 254.333 3.501 30 20 CHED Cc1cccc(C(=O)OCc2cc(C#N)ccc2F)c1F 760591091 ZYPMYJFVNYNLPA-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=CCC[C@H](C)NCc1nc(-c2ccncc2)cs1 872121615 OBIRXBNICONYRF-LBPRGKRZSA-N 273.405 3.649 30 20 CHED O=C1/C(=C\c2cscc2Cl)Oc2cc(O)ccc21 771852049 ZHYWOWPBCACGAU-KGVSQERTSA-N 278.716 3.723 30 20 CHED CCn1c(C(C)=NOC(C)(C)C)nc2ccccc21 1116405283 WZESVQRNDZCKRR-UHFFFAOYSA-N 259.353 3.595 30 20 CHED C=C1CCN(C(=O)N[C@H](CC)c2ccc(F)cc2F)CC1 1119954505 PRQWNHKSOKYGBY-OAHLLOKOSA-N 294.345 3.778 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccnc(Cl)c1 779460078 JSASTMGAKQPQSW-VOTSOKGWSA-N 257.720 3.940 30 20 CHED C[C@@H](C(=O)OCC1(C#N)CC1)c1ccc2ccccc2c1 775865252 ZODABCBWFPKMCU-CYBMUJFWSA-N 279.339 3.790 30 20 CHED CCOc1cccc(C=NOC2CCCC2)c1OC(F)F 774608007 MOBJTRVSRCXLKS-UHFFFAOYSA-N 299.317 3.980 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc2c(c1)COC2 779742662 KUWFTZSLGSCSKK-ZDUSSCGKSA-N 294.354 3.620 30 20 CHED C=C(CC)COC(=O)/C=C/c1ccc2[nH]ccc2c1 773543057 BXNQNVODECWBKB-FNORWQNLSA-N 255.317 3.691 30 20 CHED Cc1ccc(C)c(CC(=O)O[C@H](C#N)C2CCCCC2)c1 776383906 UPIFVFKLYLVCKA-QGZVFWFLSA-N 285.387 3.862 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc([N+](=O)[O-])cc2F)c1 777889215 UADCNTMHKFXZIF-UHFFFAOYSA-N 291.257 3.627 30 20 CHED Brc1cc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)cs1 774593006 KFIBNIQRUQDTAU-INTQDDNPSA-N 299.237 3.623 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)O[C@H](CC#N)c1ccco1 1123371180 ZLUNIGZTQAPXAE-MWLCHTKSSA-N 289.253 3.756 30 20 CHED C[C@H](/N=C/c1c(O)ccc2ccccc12)[C@@H]1CCCOC1 779708435 WSZZIMYFFIWNFU-PVONCNHASA-N 283.371 3.779 30 20 CHED C[C@H](OC(=O)C#Cc1ccccc1)c1cc(F)ccc1F 773454334 UXKUDBOXGCZGNK-LBPRGKRZSA-N 286.277 3.621 30 20 CHED C=C(C)CCC(=O)Nc1cc(OCC)ccc1OCC 1120531233 COMKRLWXRNNERH-UHFFFAOYSA-N 277.364 3.779 30 20 CHED C#CC[C@@H](NCc1nc(CCC(C)C)no1)c1ccccc1 775399003 DJYLLIMWOVMUFB-MRXNPFEDSA-N 297.402 3.512 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2ccon2)c1 887104244 BVLKHJKLDKBFNQ-INIZCTEOSA-N 270.332 3.882 30 20 CHED C[C@H]1CCCC(=NNc2ccc(C(F)(F)F)nn2)[C@H]1C 781128811 VOKALKMUAZRWBP-IUCAKERBSA-N 286.301 3.719 30 20 CHED CCC(=NNc1cccc(C#N)c1)c1cccc(F)c1 783514603 QJKDQKGFJXTWTQ-UHFFFAOYSA-N 267.307 3.924 30 20 CHED CCCCCCCCC(=O)N1CCC[C@]1(CC)CO 784725115 PSFWEVJLUWMJTC-MRXNPFEDSA-N 269.429 3.501 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CC[C@@H](C)OC)c1cccs1 1123107138 RYWFIXGGBJVPGB-JMSVASOKSA-N 295.404 3.697 30 20 CHED CC1CC(C#N)(C(=O)O[C@H](C)c2cccc(Cl)c2)C1 784203044 TUQBGULASHAOKQ-LOIXOFCESA-N 277.751 3.884 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)OCCCC(C)(C)C#N 784755756 RYSMMIMBWRYNCG-STQMWFEESA-N 251.370 3.686 30 20 CHED C[C@H](OC(=O)[C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 781800996 JHMHISGRFPMWLQ-SWLSCSKDSA-N 271.360 3.989 30 20 CHED N#CCC1(COC(=O)c2cc3cccc(Cl)c3o2)CC1 783099251 SGNVBSNAJHYOCR-UHFFFAOYSA-N 289.718 3.937 30 20 CHED C=CC[C@@H](C)NCc1nc(-c2cccc(OC)c2)cs1 892950012 KDYKYJIKSRIUIN-GFCCVEGCSA-N 288.416 3.873 30 20 CHED C#CCC1(c2nc(C3CC(=C)C3)no2)CCCCC1 896877619 OFQTXGJKKHWEIM-UHFFFAOYSA-N 256.349 3.728 30 20 CHED Clc1ccc2cccnc2c1C=NO[C@H]1CCCCO1 781127841 MTOSGQJPEHQJTF-AWEZNQCLSA-N 290.750 3.765 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1cnccc1C 783873856 CKJVLMHGABNFTH-UHFFFAOYSA-N 296.370 3.540 30 20 CHED COc1ccc(CNc2c(Cl)cccc2C#N)c(O)c1 795283525 ASSQPLGEWPYMCL-UHFFFAOYSA-N 288.734 3.538 30 20 CHED C=C1CCC(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 892415308 AGBYQIPLYXHERO-GFCCVEGCSA-N 290.234 3.823 30 20 CHED CC(C)(CCC#N)COC(=O)c1cccc2cnccc12 798879099 YVGUOWLTJVVYLI-UHFFFAOYSA-N 282.343 3.722 30 20 CHED CC[C@](C)(NC(=O)c1cc(C#N)oc1C)c1ccccc1 797864214 DTTKWVOIELNDSP-KRWDZBQOSA-N 282.343 3.515 30 20 CHED CC[C@@H](C)NN=Cc1ccc(C(F)(F)F)cc1C 790187652 GMXMXZOALWRQGS-SNVBAGLBSA-N 258.287 3.736 30 20 CHED C#C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 799047369 WFFHYXMEVRVUGF-SFHVURJKSA-N 291.394 3.593 30 20 CHED Cc1ccc(C(=O)Nc2ncc(C(C)(C)C)s2)cc1C#N 799343218 CGZQJJFLAHQMQN-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nc(C)cs1 796620062 SRNCFWMACNKNRP-JHJVBQTASA-N 276.405 3.844 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](CC(F)(F)F)c1ccc(C)cc1 1153649670 CSNDXDBLELXCQU-WCQYABFASA-N 298.308 3.655 30 20 CHED C=C(Cl)CN(C)Cc1ccc(SC)c(OC)c1 58528044 QSGGWXRCNPIRET-UHFFFAOYSA-N 271.813 3.601 30 20 CHED CC(C)[C@H](C)Sc1ccc([N+](=O)[O-])cc1C#N 78588937 SENZVNFGQKTLCU-VIFPVBQESA-N 250.323 3.603 30 20 CHED COc1cc(C=NOC(C)(C)C)ccc1OC(C)C 1319583431 MAOFPKULSABABB-UHFFFAOYSA-N 265.353 3.631 30 20 CHED 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C=CCCO[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 69311504 MQMXZGXHLBIOGX-AWEZNQCLSA-N 261.365 3.532 30 20 CHED Cc1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)cc1F 70160248 QCXUGTGQJJXHRJ-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CCC[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 72678611 XHZKITPFFKROJQ-GFCCVEGCSA-N 262.328 3.509 30 20 CHED C[C@@H]1CN(c2ncccc2C#N)CC[C@@H]1c1ccccc1 78410794 IOASWADTTDNJNT-PBHICJAKSA-N 277.371 3.583 30 20 CHED Cc1ccc(C(=O)/C=C/c2scnc2C)c(C)c1 78692956 INDBVMPTHPFUPV-VOTSOKGWSA-N 257.358 3.964 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)CSc1ccc(C#N)cc1 80685798 VIXOOIKOLFFHQS-QWHCGFSZSA-N 290.432 3.591 30 20 CHED Cc1ccccc1OCCCN(CCC#N)Cc1ccco1 81518119 WDIPXBLMRRYTDH-UHFFFAOYSA-N 298.386 3.773 30 20 CHED Cc1ccc(NCC2(CC#N)CC2)cc1Br 83854332 BEPYLQWMZKUUSZ-UHFFFAOYSA-N 279.181 3.863 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C(C)(C)CC(C)C)n1 84692349 DPZCSEDECVBWMM-NSHDSACASA-N 264.394 3.700 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](c2ccccc2)C1 87608681 ILMQJIYCKYALMN-INIZCTEOSA-N 256.393 3.806 30 20 CHED CCCC(=CC(=O)N[C@](C)(C#N)C(C)C)CCC 92301292 ZRMSBBAKEDLCLV-OAHLLOKOSA-N 250.386 3.567 30 20 CHED CC[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)O 97824349 DKRLEOPQTONGEF-JTQLQIEISA-N 289.278 3.532 30 20 CHED N#CCc1ccc(NCc2ccnc3ccccc23)cc1 111788885 JQEDQDILCKNRJF-UHFFFAOYSA-N 273.339 3.913 30 20 CHED C=CCCCSCC(=O)NCc1ccc(Cl)cc1 117944781 FQOBTDPZPJOUMD-UHFFFAOYSA-N 283.824 3.656 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 120941718 QHVNBVIZSRECDA-ZDUSSCGKSA-N 295.386 3.857 30 20 CHED COc1c(F)cc(NCc2ccc(F)c(C#N)c2)cc1F 124184373 LFNALJDEADOBHX-UHFFFAOYSA-N 292.260 3.596 30 20 CHED Cc1cc(NCc2ccc(F)c(C#N)c2)ccc1F 124382455 DJTFNSAJKPIOCF-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 125852627 SDQKJOFKXCQBQU-XJKSGUPXSA-N 270.376 3.710 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(F)ccc1C 126211864 AYOGAFYFOAFMSV-UHFFFAOYSA-N 276.355 3.727 30 20 CHED N#Cc1cccc(CN[C@@H]2CCc3c(Cl)cccc32)c1 126916439 MZNQVWZKKYJAHA-QGZVFWFLSA-N 282.774 3.989 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1cccc(Cl)c1Cl 128150658 RWXHLEPTDJQJCA-SECBINFHSA-N 287.190 3.709 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 132421052 LYSWQLYKHVUWRJ-KPKJPENVSA-N 282.339 3.738 30 20 CHED N#Cc1cccc(COc2cccc(CNCCCF)c2)c1 136520906 RENVTGUKKNPNOZ-UHFFFAOYSA-N 298.361 3.586 30 20 CHED N#Cc1ccc(N2C[C@@H]3CCC[C@H]3C2)cc1C(F)(F)F 148318024 YWZFAONBRVYNPQ-RYUDHWBXSA-N 280.293 3.813 30 20 CHED C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1 153058753 ZCXKBRWWWAXUCN-JTQLQIEISA-N 292.329 3.535 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@@H](CCC#N)c2ccccc2)C1 153748436 RDPSQXQHCTULFG-VYDXJSESSA-N 284.403 3.974 30 20 CHED CCCCCCCn1ccnc1[C@@H](O)c1ccccc1 154794754 GONWYXVPSOYHLG-INIZCTEOSA-N 272.392 3.935 30 20 CHED C#CCCCCNC(=O)C(c1ccccc1)c1ccccc1 156071030 TWVGCBHATGZLDS-UHFFFAOYSA-N 291.394 3.738 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 156895616 XLGXHCODDCWMJS-UHFFFAOYSA-N 273.163 3.952 30 20 CHED CCSCC[C@H](C)Nc1ccc(C#N)cc1F 157721210 DSZFKHXCBYETEC-JTQLQIEISA-N 252.358 3.641 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCS2)cc1Cl 158197436 WCPZKGTYKDONIR-GFCCVEGCSA-N 266.797 3.909 30 20 CHED C=CCC[C@H](NC(=O)NCc1ccccn1)c1ccccc1 160552067 WXRUNRKEAPEYMR-KRWDZBQOSA-N 295.386 3.588 30 20 CHED C=C(C)CNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 161075513 SHMUAMSRAAOUKP-NSHDSACASA-N 285.309 3.576 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 161951654 WLNPMSZIJZIJBG-SNVBAGLBSA-N 299.296 3.605 30 20 CHED C=CCN(C(=O)c1cccc(Br)c1C)C1CC1 165364553 IAQVZKMXXKAOGL-UHFFFAOYSA-N 294.192 3.548 30 20 CHED CCCCCCCC(=O)NCc1ccc(OCC#N)cc1 170784790 GFWFQHAQTJBCEA-UHFFFAOYSA-N 288.391 3.566 30 20 CHED CC(C)(C)[C@@H](NC(=O)NCCCCC#N)c1ccccc1 171423963 CCRFOFIUUUHAMD-HNNXBMFYSA-N 287.407 3.767 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCC(F)(F)F 172904485 MFIRCVCOKWVECN-UHFFFAOYSA-N 298.308 3.638 30 20 CHED C=CCN(CCCC(C)(C)C#N)Cc1cccc(C#N)c1 174835179 KINXVGZZTPKXRH-UHFFFAOYSA-N 281.403 3.876 30 20 CHED CC1(C)C[C@H](NC(=O)c2cc(C#N)cs2)c2ccccc21 178621910 BSSBYVWULLDCRY-AWEZNQCLSA-N 296.395 3.772 30 20 CHED COc1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c2ccccc12 179880146 LHKCZYNBZPJIJH-STQMWFEESA-N 295.338 3.697 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H]1C[C@@H]2CC[C@@H]1C2 180205494 VKXLOLRHYNFDMY-JLNYLFASSA-N 256.349 3.578 30 20 CHED CCC(CC)[C@@H]1C[C@H](NCC(C)(C)CCC#N)CCO1 180374746 SHQABRSMRQINLP-CVEARBPZSA-N 280.456 3.890 30 20 CHED C=C(C)CN(C)C(=O)[C@H](Cc1ccccc1)C(C)C 180478544 WQGOLCSNBMRPHM-MRXNPFEDSA-N 259.393 3.536 30 20 CHED CCOC(=O)Nc1ccc(NCc2ccccc2)cc1C#N 181508031 QXFICACWEJBIDA-UHFFFAOYSA-N 295.342 3.739 30 20 CHED Cc1ncsc1CNc1ccc(OC(C)C)c(C#N)c1 181529779 QLGORHWLKBBWNW-UHFFFAOYSA-N 287.388 3.723 30 20 CHED Cc1cccnc1[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(C)C 185834461 MSSQUBSLDOCEBQ-ARFHVFGLSA-N 271.408 3.759 30 20 CHED CC#CCCCC(=O)N(C)Cc1cccc(OC(C)C)c1 185944979 UWQSLZLFKIWDEV-UHFFFAOYSA-N 287.403 3.626 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCc2sccc21 188588503 HMRYCTWKTPXPQN-DOMZBBRYSA-N 263.406 3.844 30 20 CHED COc1ccc2c(c1NCc1ccc(C#N)cc1F)CCC2 190454660 IGDNOZYILHFFHO-UHFFFAOYSA-N 296.345 3.807 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc3c(c2)CCO3)no1 191177100 UTWPSSAAUHHNSA-MRXNPFEDSA-N 270.332 3.525 30 20 CHED CC(=O)Nc1cc(N[C@H](C)c2ccc(C#N)cc2)ccc1C 192830443 WKWMKIXQNIQLDT-CYBMUJFWSA-N 293.370 3.998 30 20 CHED C#CCCCCC(=O)N(CC(F)F)c1ccc(F)cc1 193855861 RMMDIBGAEQDGMX-UHFFFAOYSA-N 283.293 3.617 30 20 CHED Cc1cc(CSc2cc(C#N)ccn2)c(C)s1 194324421 LYBCDLMIPDMGHT-UHFFFAOYSA-N 260.387 3.924 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCC[C@H](C)C1 194585064 HQQWGOVJJVVAAF-WFASDCNBSA-N 285.391 3.909 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(Cl)c2)ccc1O 211761508 NKDZCBUFHUBEIN-ALCCZGGFSA-N 288.730 3.950 30 20 CHED CN(C/C=C\c1ccccc1)Cc1cccc(C#N)c1 215827952 IECGRUIPJRJDDI-WDZFZDKYSA-N 262.356 3.703 30 20 CHED C=C(Cl)CNCc1cc(Br)c(C)s1 227852497 TVCXTZTWDPOKMN-UHFFFAOYSA-N 280.618 3.661 30 20 CHED C#C[C@H](CC)NC1CC(c2ccc(Br)cc2)C1 229894149 RGMGEACJYLLKAL-HNFVBEJKSA-N 292.220 3.697 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)s1 230635898 ICAYTBMNYBLFRC-LLVKDONJSA-N 274.364 3.918 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(C(F)(F)F)cc1 233356559 RZONZVXUXOKMNA-LLVKDONJSA-N 284.281 3.629 30 20 CHED CN(Cc1ccc(Cl)cc1)c1nccc(C#N)c1Cl 234297181 LVBUJUHKKHRFKL-UHFFFAOYSA-N 292.169 3.896 30 20 CHED Cc1ccc(CSCCNc2ccc(C#N)cn2)cc1 247916554 MSANDOWZUNDKSR-UHFFFAOYSA-N 283.400 3.607 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3c(Cl)cccc32)C1 248998801 PWJSQSYDRLSJRB-BFQNTYOBSA-N 274.795 3.999 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Nc2ccccc2)C1 249273267 LDGPGDIHIYBXLW-HNAYVOBHSA-N 291.398 3.806 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1Cl)c1cnccn1 254975781 SENZDDQGBFYQNH-RQOWECAXSA-N 279.126 3.680 30 20 CHED CC(C)C(=O)Nc1cccc(N=Cc2ccccc2O)c1 255294493 LECMZLUJAWTVCC-UHFFFAOYSA-N 282.343 3.737 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c(C)cccc1OC(F)F 264018738 XJGHWSCYTRMFMI-LLVKDONJSA-N 299.317 3.516 30 20 CHED N/C(=N\CCCC(F)(F)F)Nc1cccc2c1CCCC2 267438612 OOJNDJABBGWEBT-UHFFFAOYSA-N 299.340 3.635 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2ccc(CC#N)cc2)c(C)s1 270207165 DIPNXUAGVPZYQB-GFCCVEGCSA-N 298.411 3.922 30 20 CHED Cc1c(Cl)cnc(NC[C@@H](C)c2nccs2)c1C#N 273289690 KFCZJPQNHBDBAC-MRVPVSSYSA-N 292.795 3.587 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1OC(C)C 276350263 UESRBOYARBKHDN-UHFFFAOYSA-N 262.353 3.514 30 20 CHED CC1(C)CCCN(C(=O)C2(Cc3ccccc3)CC2)[C@@H]1C#N 277986603 QYYSUYLEFBDION-MRXNPFEDSA-N 296.414 3.550 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1[C@@H]1CC[C@H](C#N)C1 278727632 VOFFPAZJLRDPKN-RPCCPQHDSA-N 272.367 3.696 30 20 CHED CN(C)Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1Cl 281634606 OOZFYKMVQWGSAG-TZMCWYRMSA-N 291.826 3.896 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)Cc1ccc(OC)c(OC)c1 281762522 WLBXBNNROPPFMO-DZGCQCFKSA-N 277.408 3.579 30 20 CHED CSc1ccc([C@@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 282510791 YXXKEUZQNACCPN-BZPMIXESSA-N 260.406 3.751 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 287258898 BYSGOIVJDNBFBM-RTBURBONSA-N 298.430 3.798 30 20 CHED C=CCCC(=O)NCC(F)(F)c1ccc(Cl)cc1 287886950 USBJMLZFMACNOP-UHFFFAOYSA-N 273.710 3.514 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccccc1OC(F)F 292489358 RBOYHXQAAVSQAL-UHFFFAOYSA-N 297.345 3.549 30 20 CHED Cc1cccc2c1CC(C)(C)N(C(=O)CC(C)(C)C#N)C2 296333383 SJVNAVSOZDPMDJ-UHFFFAOYSA-N 284.403 3.598 30 20 CHED C#CCOc1ccc(CN[C@H](CCC)c2cccnc2)cc1 296628747 XHDJDJZYTCQVJB-LJQANCHMSA-N 294.398 3.725 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 297939023 ZAULNRCGNMAMHA-UHFFFAOYSA-N 276.336 3.698 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1C(C)(C)C 299358238 XLDZTGUUTCOACL-CYBMUJFWSA-N 275.392 3.904 30 20 CHED CCCCCCCCC(=O)Nc1c(C)noc1C 299617052 ZFHLCKIRCQRNRQ-UHFFFAOYSA-N 252.358 3.981 30 20 CHED C[C@@H](Nc1c(F)cc(C#N)cc1F)c1cccc(C#N)c1 301448463 OXAXZSAQXNSQES-SNVBAGLBSA-N 283.281 3.881 30 20 CHED Cc1cc(C#N)cc(NCc2ccc(F)cc2F)c1 308114305 UZQIXAZIHWYVCK-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1cccc(OCCOc2cc(Cl)cc(C#N)c2)c1 314813917 PWFQAGJUGVMLIX-UHFFFAOYSA-N 298.729 3.541 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2ccccc2C1 318648438 HQMGAZYERVNJDI-QGZVFWFLSA-N 290.366 3.610 30 20 CHED CC(C)[C@H]1CC[C@H](/C(O)=N/[C@@H]2CCc3nc[nH]c3C2)CC1 328934239 IXQNEASGDVLSBM-MGPQQGTHSA-N 289.423 3.686 30 20 CHED CC(C)[C@@H]1CCCCN1/C(O)=N/CCc1cccc(C#N)c1 330962674 YZNMZDVXTDUQJB-KRWDZBQOSA-N 299.418 3.525 30 20 CHED CCOc1cc(O)ccc1N=C(O)C1=C(C)CCC1 331151168 WYWXOQNWQYKSQT-UHFFFAOYSA-N 261.321 3.879 30 20 CHED Cc1cncc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1 334390880 UJRRHHBIMIUZRJ-UHFFFAOYSA-N 289.382 3.551 30 20 CHED CSc1ccc(C)c(NC(=O)c2cc(C#N)oc2C)c1 336151188 RAHNRNBKMXMGEN-UHFFFAOYSA-N 286.356 3.742 30 20 CHED Cc1coc2ccc(NC(=O)N(C)CC(C)(C)C#N)cc12 336176612 RYAHSBDEQJTORL-UHFFFAOYSA-N 285.347 3.755 30 20 CHED CN(CCCC1(C#N)CCOCC1)CC1CCCCC1 337127224 GVIFGPWRGNDWLE-UHFFFAOYSA-N 278.440 3.599 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@]2(CC[C@H](C)C2)C1 337827373 RAJZVTLRWPCGAQ-UGSOOPFHSA-N 282.387 3.519 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc(Cl)ccc1Cl 339168286 SHNNGLLZOMFRRN-JTQLQIEISA-N 285.174 3.758 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1ccoc1)c1ccccc1 340101343 CMNRZOVNRXSKPU-HNNXBMFYSA-N 269.344 3.598 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2cn3ccccc3c2C#N)C1 341224766 PSAONJQXZGJKCU-ZBFHGGJFSA-N 281.403 3.821 30 20 CHED C=CCOCC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 342827190 UVHRXHOFINWFPS-KRWDZBQOSA-N 287.403 3.506 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)c1ncccc1F 343350294 OIMIERUOAAEYGM-UHFFFAOYSA-N 288.370 3.581 30 20 CHED CC1CCC(C)(NCc2ccc(C#N)cc2F)CC1 344227522 ZAMSMLCNOCHEOI-UHFFFAOYSA-N 260.356 3.756 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1Oc1cccc(F)c1 345786000 DCUGXERBXCLGKF-NSHDSACASA-N 284.290 3.716 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CO[C@H]1CCCC[C@@H]1C 348524889 KLKJFOQIKKVHHH-GJZGRUSLSA-N 294.439 3.513 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc2cc(C)ccn12 353424227 SNAHABOMBAPFJK-UHFFFAOYSA-N 298.434 3.795 30 20 CHED CC(C)c1cccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)n1 353446941 GTXMOTQZTMDBCD-CYBMUJFWSA-N 293.370 3.568 30 20 CHED CCC(CC)CN(CCC#N)CCCc1ccc(C)nc1 353626168 PWTKUYRYJZMFLX-UHFFFAOYSA-N 287.451 3.975 30 20 CHED COc1ccc(C#N)cc1NCc1ccc2ncccc2c1 354870367 UFQLBMHLDSAFGS-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CC(C)(CCC#N)CNC(=O)N(Cc1ccccc1)C1CC1 358701659 ZZCNLQZBTLHFHS-UHFFFAOYSA-N 299.418 3.691 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(-c2ccc(C)o2)s1 359061495 DJXFVHUCNPKUQG-SECBINFHSA-N 261.346 3.621 30 20 CHED C=CCC1(C(=O)NCc2c(F)cccc2SC)CCC1 359104618 RORQDHZJNXHJDL-UHFFFAOYSA-N 293.407 3.910 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(C2CC2)c(C)c1 360856820 PIYOIVREZNGHJQ-UHFFFAOYSA-N 271.364 3.640 30 20 CHED C#CCn1cnc(-c2ccccc2)c1NC(=O)C(CC)CC 365798974 JXLLQNPUSBGYSZ-UHFFFAOYSA-N 295.386 3.558 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCCc3cnn(C(C)C)c32)n1 368134326 JZEGXRKNCNYWQL-HNNXBMFYSA-N 295.390 3.529 30 20 CHED CCCCCCCC(=O)N1CCC(OCC2CC2)CC1 369817394 LUXRWYQTKRUONB-UHFFFAOYSA-N 281.440 3.765 30 20 CHED C=C(C)C[C@H](C)C(=O)N1[C@H](C)COC[C@H]1c1ccccc1 373359528 GKXKSTQLRXQWPG-UXLLHSPISA-N 287.403 3.577 30 20 CHED N#CCCCCN1Cc2ccccc2C2(CCC2)C1 375686980 CQPLHARRBFMKCF-UHFFFAOYSA-N 254.377 3.618 30 20 CHED C#C[C@H](C)NCCCc1c(Cl)cccc1Cl 390446898 XWNQNSOUKMQZDR-JTQLQIEISA-N 256.176 3.537 30 20 CHED N#Cc1ccc(-c2nc(-c3cnc4ccccc4c3)no2)cc1 391894115 BABKNQFPVTUGKV-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C=CCC1(C(=O)N2CC[C@H](OC)C[C@H]2C)CCCCC1 410826429 YGKSAPLJOBROQI-CABCVRRESA-N 279.424 3.539 30 20 CHED CO[C@@](C)(C1CC1)[C@@H](C)NCc1ccc(Cl)cc1C#N 411978522 ZCYOLGVDGWLZHJ-BDJLRTHQSA-N 292.810 3.505 30 20 CHED CC[C@H](Cc1ccccc1)Nc1ncc(C#N)cc1F 413113793 CUNLKKKDSJCHIL-CQSZACIVSA-N 269.323 3.526 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N2CCc3cc(C#N)ccc32)C1 416016734 IHVYWWNLKUPJCD-KGLIPLIRSA-N 282.387 3.664 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(C2CC2)cc1 416073121 ZUJYAPJYBGFSCE-CYBMUJFWSA-N 290.366 3.927 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccccc1C(F)(F)F 424567091 JNJXTDVFQPIYCA-UHFFFAOYSA-N 285.309 3.924 30 20 CHED CC(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 425606389 FFHHJGYFUSWYFJ-DOTOQJQBSA-N 299.418 3.644 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC1CC(F)(F)C1 429255511 TYVBOHPTFMMJSA-UHFFFAOYSA-N 286.366 3.562 30 20 CHED C=CCN(C)C(=O)NCc1ccc(-c2cccc(C)c2)cc1 429421565 XNDQKZJTBMCZFU-UHFFFAOYSA-N 294.398 3.989 30 20 CHED CC[C@@H](NCC1(CC#N)CC1)c1cc(C)ccc1OC 430744064 TYYZFUYBRRLKKY-OAHLLOKOSA-N 272.392 3.738 30 20 CHED CCc1ccc([C@@H](CC)NCC2(CC#N)CC2)cc1 430756085 SBDWMOCCBWWUMN-MRXNPFEDSA-N 256.393 3.984 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)NCC1(CC#N)CC1 431172555 KONXXSFHQYFQJA-HNNXBMFYSA-N 276.424 3.793 30 20 CHED N#Cc1c(N[C@H]2C[C@H](c3ccccc3)C2)nc2ccccn12 435593455 QWJSDZCBHBCLJF-SHTZXODSSA-N 288.354 3.564 30 20 CHED C=CCC[C@@H](NCc1ccc(F)c(F)c1)C1CC1 439080710 VJYHSQYRINKWIE-OAHLLOKOSA-N 251.320 3.799 30 20 CHED C=CCN(CC=C)C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 443816574 YYGNFKJXIBBIOI-OAGGEKHMSA-N 279.424 3.561 30 20 CHED CC1(C)CCCN(Cc2ccc(F)c(Cl)c2)[C@H]1C#N 444724808 LLEFBSHCJKWRDV-AWEZNQCLSA-N 280.774 3.993 30 20 CHED N#C[C@@H]1N(CCCC2CCCC2)CCC[C@]12CCCCO2 447915994 TWHJYLXPJZWUIS-ZWKOTPCHSA-N 290.451 3.884 30 20 CHED C[C@H](NC(=O)[C@]1(C)CCC[C@H]1C)c1ccc(C#N)cc1 448666138 SUCUSOIOEAUXCT-IIYDPXPESA-N 270.376 3.562 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 448830376 HZYNLICNYKFKIB-YRGRVCCFSA-N 286.375 3.578 30 20 CHED C=C(C)CCNCc1cnc(-c2cccs2)s1 449475183 KUJALCXPYAFMRO-UHFFFAOYSA-N 264.419 3.927 30 20 CHED Cc1ccc([C@H](C)N(C)CC2(C#N)CCC2)c(C)c1 450293764 ZDTDQGUTTJLIKU-HNNXBMFYSA-N 256.393 3.990 30 20 CHED Cc1c(C#N)c(N2CCC3(CCC3)C2)nc2ccccc12 450375126 DKZMFSJFUWXYHA-UHFFFAOYSA-N 277.371 3.795 30 20 CHED C=CC(C)(C)CNC(=O)CCc1cc(C)cc(C)c1 452774873 MQSHHDKYDTUCJU-UHFFFAOYSA-N 259.393 3.564 30 20 CHED C=C(C)CCN[C@H]1CCCCc2cc(C#N)ccc21 453325870 UVJLEFZILLSPHT-KRWDZBQOSA-N 254.377 3.882 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C1=CC[C@@H](C)CC1 454656297 CQXMBTWJODUFTM-OAHLLOKOSA-N 269.388 3.948 30 20 CHED Cc1cccc(C2(C(=O)Nc3cccc(CC#N)c3)CC2)c1 456740415 WPXFBUBGNSTEBJ-UHFFFAOYSA-N 290.366 3.731 30 20 CHED C=CCCCCCN1CC[C@@H](O)[C@H](C2CCCC2)C1 459798492 VFAIFRIOUPNPEE-DLBZAZTESA-N 265.441 3.606 30 20 CHED Cc1ccc([C@@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 461906551 ZCDHMKGOZSMSIB-LSDHHAIUSA-N 292.382 3.848 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 462012723 ZVVFJMULAPQCNV-ZDUSSCGKSA-N 288.366 3.647 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)c(F)c1)C1CCCC1 464645051 UCQAKEFSAMEEDD-UHFFFAOYSA-N 274.339 3.852 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1CC1CCCCC1 464755309 WEVBCFQWOKPEAL-HIFRSBDPSA-N 264.413 3.705 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](CC1CCCCC1)C(C)C 465113779 OKHPEAFPLGRGOI-UKRRQHHQSA-N 251.414 3.920 30 20 CHED CC(C)CCSc1cc(C#N)ccc1[N+](=O)[O-] 466360605 HDCZXEANAOCUIX-UHFFFAOYSA-N 250.323 3.605 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(Cc2ccccc2F)CC1 466524010 BDZAPUZWWHJILU-CQSZACIVSA-N 275.367 3.619 30 20 CHED C=CCCN(C)C(=O)Nc1cccc2ccsc12 466556580 QNCDPCKFQOMOQY-UHFFFAOYSA-N 260.362 3.941 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)Cc1ccc(C)cc1C 468022662 PVRKDIOKABIJSZ-QAPCUYQASA-N 273.420 3.953 30 20 CHED Cc1c(Cl)cccc1NC(=O)c1ccc(F)c(C#N)c1 468865939 IFOVGWYWNDZZII-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CC[C@H]1N(C(=O)COC2CCCC2)CCCC1(C)C 470304684 WDUSBSPPZXXLFP-OAHLLOKOSA-N 279.424 3.539 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1cnc2ccccc2c1 471163708 AGGDVSIJPOONGX-KRWDZBQOSA-N 294.398 3.735 30 20 CHED C=CCCCCNC(=O)[C@H](C)Cc1ccc(C)cc1 471712812 DOMXUGFPSLMKMQ-OAHLLOKOSA-N 259.393 3.646 30 20 CHED C=CC[C@H](C)N[C@H]1CC(C)(C)c2cc(OC)ccc21 474070260 ZDHREFYKVAPHRN-LRDDRELGSA-N 259.393 3.972 30 20 CHED Cc1c(NC(=O)NCC(C)(C)C#N)cccc1C(F)(F)F 476532520 IONMIZGDDVAJCE-UHFFFAOYSA-N 299.296 3.685 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(O[C@@H](C)CC)c1 477543435 PHMYJVOCVCNQPD-ZDUSSCGKSA-N 276.380 3.904 30 20 CHED C=C(CNC(=O)Nc1cccc(C#N)c1C)c1ccccc1 477990867 KXXWVOLCNYUISG-UHFFFAOYSA-N 291.354 3.702 30 20 CHED C=C(C)CN(C)C(=O)COc1ccc(C(C)C)c(C)c1 479220806 SHZOQHFEMYBBQP-UHFFFAOYSA-N 275.392 3.532 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(C)cc1Cl 482717999 QPLDJPPGYBQWEN-CYBMUJFWSA-N 295.810 3.840 30 20 CHED C=CCCCN(C)[C@H]1CCCN(c2ccccc2)C1 482941144 GEDFSZGEOPVWAI-KRWDZBQOSA-N 258.409 3.553 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)c1cn(C)c2ccccc12 488836507 IQEXVCUVSPUMQG-GJZGRUSLSA-N 296.414 3.849 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccc(Cl)cc1 488872151 XHALZMGCWIWHHX-HNNXBMFYSA-N 277.795 3.840 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1COc2ccc(Cl)cc21 490002463 FQIIMEWPILJXJL-ZDUSSCGKSA-N 293.794 3.535 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(-c2csc(C)n2)cc1 491526160 XSVQVHBJRZUWTH-NSHDSACASA-N 299.399 3.604 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(OC)c1 494561304 CBMBRUBHAWIHHC-DZGCQCFKSA-N 288.391 3.506 30 20 CHED COc1ccc(C#N)cc1NC(=O)CCCC(C)(C)C 504657712 HNIYYAINNWRZSD-UHFFFAOYSA-N 274.364 3.722 30 20 CHED CCc1ccc([C@H](C)C(=O)N[C@@H](C#N)C2CCCCC2)cc1 506536731 AFZUQHZKEIGVSW-KSSFIOAISA-N 298.430 3.941 30 20 CHED N#CCN(Cc1ccc(-c2ccccc2)cc1F)C1CC1 507814916 NGEVACBUQXLDQI-UHFFFAOYSA-N 280.346 3.981 30 20 CHED C=CCCCC[C@@H](C)NCc1cn2ccccc2n1 508749739 WZCRBWHDLRHWPG-CQSZACIVSA-N 257.381 3.559 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCc2ccccc2OC1 509493156 NFPINWREEWOZHG-OAHLLOKOSA-N 282.318 3.503 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H]1Cc1ccccc1 514189432 HUGJWQBNYPRNNK-DYVFJYSZSA-N 293.326 3.510 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1conc1C(C)C 529490639 IHGWJYHFAMXFEM-HNNXBMFYSA-N 298.386 3.715 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccccc1OC(C)C 530832826 MYWSXNOUGXCPHY-UHFFFAOYSA-N 294.354 3.906 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(F)cc(Cl)c1)OCC 535209203 BMIOJEWHYYQSJS-ZDUSSCGKSA-N 285.746 3.789 30 20 CHED N#Cc1ccccc1OCCN[C@@H](c1cccs1)C1CC1 539368609 RIWNVLMTLWZNIB-QGZVFWFLSA-N 298.411 3.739 30 20 CHED C=CCC[C@@H](O)CN[C@@H](CC)c1ccc(Cl)s1 541627569 QFASUXZNOMMHQB-MNOVXSKESA-N 273.829 3.769 30 20 CHED C=CC[C@@H](CO)NCc1ccc(-c2ccccc2)cc1F 547406081 RLNCIALJPVDQFG-KRWDZBQOSA-N 285.362 3.519 30 20 CHED C=CCOCCSc1nnc(-c2ccc(Cl)cc2)o1 549300953 ZVXWEHGNYNCKKI-UHFFFAOYSA-N 296.779 3.685 30 20 CHED C=CCN1CC[C@H](Sc2ccc(C(C)C)cc2)C1=O 554299566 FSAFOXUSJYEZDI-HNNXBMFYSA-N 275.417 3.689 30 20 CHED CC(C)c1ccc(CNC(=O)[C@@]2(C#N)CC23CCCC3)cc1 565931543 QOJAYSXYFKZHPC-IBGZPJMESA-N 296.414 3.900 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(CC)CCCC 568449467 HDOMKUBEBSWZII-ZDUSSCGKSA-N 264.417 3.604 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)CCC1 571332740 YYBDSABFUGDGFA-ZBFHGGJFSA-N 269.388 3.952 30 20 CHED CCC1(NC(=O)c2ccc(C#N)c(Cl)c2)CCCC1 574608399 PWSCILZQNNNZIN-UHFFFAOYSA-N 276.767 3.664 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2ccc(C#N)cc2)CC1 574990313 SSVOMJKZBIILJG-CQSZACIVSA-N 254.333 3.633 30 20 CHED C/C=C\c1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 576376460 UHJQVAISNHYQBV-IHWYPQMZSA-N 297.745 3.892 30 20 CHED C=CCOc1ccccc1-c1nc(CCC2CC2)no1 577540830 RICJOZGRPUQAJL-UHFFFAOYSA-N 270.332 3.644 30 20 CHED CC[C@@H](CC#N)N[C@H](C)c1ncc(-c2ccccc2)o1 583639822 SCEQQQGFPZLDHL-OCCSQVGLSA-N 269.348 3.684 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)[C@H](C)CC1CCCCC1 584374389 DPADITOMDPPNFF-CJNGLKHVSA-N 296.480 3.744 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2cc(F)ccc2C)c1 588394042 PXRBZAFVSBMVPU-CLFYSBASSA-N 297.329 3.989 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1ccccc1SC 588618454 STNOFFLEVAUHFW-KTKRTIGZSA-N 286.400 3.601 30 20 CHED CCCC[C@H](NC(=O)CCCCCC#N)C1CCC1 588644280 MWTUQDWCBXECHL-HNNXBMFYSA-N 264.413 3.936 30 20 CHED CC1CCC(CC(=O)Nc2ccccc2CC#N)CC1 588987581 STGRJKRMYCKSDZ-UHFFFAOYSA-N 270.376 3.908 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@H]2CCC2CCCC2)n1 589455289 OJLBTHYONVZTJZ-INIZCTEOSA-N 297.402 3.528 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CCCc1ccccc1Cl 589789406 WRWGEHSEWSWPAH-AWEZNQCLSA-N 292.810 3.717 30 20 CHED N#Cc1ccc(NC(=O)c2cnc3ccsc3c2)cc1F 589801523 DGZDGHXLBJQHPK-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CC(C)N(CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 592153994 GHMAXEXASREKSC-LJQANCHMSA-N 299.462 3.665 30 20 CHED C[C@@H]1CC2(CCOCC2)CN1[C@H](C)c1cccc(C#N)c1 592184680 RZBRQXCKUDEPDR-HUUCEWRRSA-N 284.403 3.510 30 20 CHED CCc1ccc([C@H]2CCCCCN2C(=O)[C@H](C#N)CC)o1 593483951 MAVBRYJWCLBFPW-DZGCQCFKSA-N 288.391 3.835 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 593957871 CYMFIPIFLVXTPK-JTOWHCCKSA-N 298.430 3.678 30 20 CHED C=CCCSCCNCc1cccc(OC(F)F)c1 594960614 WEMKGMGIYLGMBV-UHFFFAOYSA-N 287.375 3.687 30 20 CHED CN(CCCc1ccccc1)[C@H](C#N)c1ccccc1 595295912 HLCPZXLIFGERHK-GOSISDBHSA-N 264.372 3.816 30 20 CHED CC[C@H](CC#N)NCCSc1cccc(Cl)c1 595530775 SVOBIFODXAXSCG-GFCCVEGCSA-N 268.813 3.714 30 20 CHED CC(C)c1cccc(C(=O)N2CCC[C@@](C)(C#N)C2)c1 597501925 NPLSVQACGVXJSC-KRWDZBQOSA-N 270.376 3.576 30 20 CHED N#CC1(CC(=O)N(C2CCC2)C2CCC2)CCCCC1 597686562 JCNDBEYHWCKBSO-UHFFFAOYSA-N 274.408 3.784 30 20 CHED CC(C)C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597909554 NEZKZYYDBZRDTD-SJLPKXTDSA-N 298.430 3.969 30 20 CHED CN(C(=O)C(C)(C)C#N)C1CC(C)(C)CC(C)(C)C1 598095166 DFVFFKNSJDWQIH-UHFFFAOYSA-N 264.413 3.599 30 20 CHED CCN(C(=O)CCSc1ccc(Cl)cc1)[C@@H](C)C#N 598346294 HOTGJNYTEJWGFZ-NSHDSACASA-N 296.823 3.583 30 20 CHED N#Cc1ccc(N(C(=O)C2[C@H]3CCCC[C@H]23)C2CCC2)cc1 598887485 VGXGZRKUPWOTFO-IRXDYDNUSA-N 294.398 3.880 30 20 CHED C[C@@H]1CN(CC(C)(C)CCC#N)C[C@@H](C)C1(F)F 600183459 LNJYNEVJMWJARG-VXGBXAGGSA-N 258.356 3.539 30 20 CHED Cc1ncc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)s1 601298553 BJKKVRHDXLCGKZ-ZUZCIYMTSA-N 283.400 3.661 30 20 CHED C[C@@H](CCC#N)CN(Cc1cccs1)C[C@H]1CCCO1 602435610 IMDVMUSOWHWXSW-LSDHHAIUSA-N 292.448 3.669 30 20 CHED COc1ccc([C@@H](NC[C@H](C)CCC#N)C2CC2)cc1 602502528 MAQOLNHQJNMUGT-DYVFJYSZSA-N 272.392 3.676 30 20 CHED CCO[C@@H]1C[C@H](NC[C@@H](C)CCC#N)C12CCCCC2 602546709 KNCSSFBUKQLQDS-HRCADAONSA-N 278.440 3.644 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccccc1)C1CCN(C)CC1 602669407 WKJAKTFOGBMDRF-KRWDZBQOSA-N 299.462 3.523 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1Cc1cccc(C#N)n1 602683396 ZCTORUNSKGBXLQ-GOSISDBHSA-N 295.361 3.738 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H]1c1cccc(F)c1 610282640 XQCHRNOTYSCXSJ-OAHLLOKOSA-N 270.282 3.788 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC12CCC2 610737966 WDTHFFNVWNRWGJ-KRWDZBQOSA-N 296.414 3.733 30 20 CHED N#C[C@H](Cc1ccccc1)SCc1ccc([N+](=O)[O-])cc1 611081039 JIJGVPVTJAMHLH-INIZCTEOSA-N 298.367 3.963 30 20 CHED CCC1CCC(CNC(=O)N2CCC[C@](C)(C#N)C2)CC1 612126105 ANHNGNNISUZCII-VMBOVVBDSA-N 291.439 3.538 30 20 CHED C[C@]1(C#N)CCCN(Cc2csc(Br)c2)C1 612163267 QMLSCTRQPYUYBE-GFCCVEGCSA-N 299.237 3.636 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccccc1Cl 618740994 BEWYDBWMSVGOQD-KRWDZBQOSA-N 282.774 3.989 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCO[C@@H](CCC)C2)CCCC1 619111297 TYQOIOLPSAHAFA-CABCVRRESA-N 279.424 3.587 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 619212565 WEQWGZQGUPMSOK-HUUCEWRRSA-N 257.377 3.651 30 20 CHED C=CCCOCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 621194852 VZCXHLLUVGZHDI-INIZCTEOSA-N 287.403 3.508 30 20 CHED C=CCCCC[C@H](C)Nc1ccc2c(c1)nnn2C 647331475 BPFFGSOGELTEHP-LBPRGKRZSA-N 258.369 3.515 30 20 CHED C=CC(C)(C)C(=O)N1CCS[C@H](c2ccccc2)C1 648966387 OOCAIZIDXCZPHM-AWEZNQCLSA-N 275.417 3.515 30 20 CHED C=CCCN[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 658116683 NJLPBRZCNBMTJH-AWEZNQCLSA-N 289.423 3.787 30 20 CHED C=CCCNC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 661572076 FJNMWGQNVAEDGV-HNNXBMFYSA-N 297.402 3.633 30 20 CHED C=CCN(Cc1ncccc1C(F)(F)F)C(C)(C)C 661759903 LXSSSDSISBKHLF-UHFFFAOYSA-N 272.314 3.887 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(C#Cc2cccs2)c1 674976497 UNQSMDQMALFOGD-ZDUSSCGKSA-N 296.395 3.844 30 20 CHED C=C[C@H](CC(=O)Nc1cccc(OCC)n1)c1ccccc1 677559930 KFTQMEPVTBLKAY-CQSZACIVSA-N 296.370 3.779 30 20 CHED C=CCCN(C)C(=O)[C@H](C)c1ccccc1C(F)(F)F 682428704 LFLYPEWRYZFKCM-LLVKDONJSA-N 285.309 3.843 30 20 CHED C=CCC1(NCc2cc(C(=O)O)ccc2F)CCCC1 690755097 SPSZMQUEXKCAAX-UHFFFAOYSA-N 277.339 3.502 30 20 CHED CCC(=NNc1cccc(OC)c1)c1ccc(OC)cc1 725854611 ANOCYRPXGJOPAX-UHFFFAOYSA-N 284.359 3.930 30 20 CHED C=CCCC(=O)Oc1ccc(C(=O)OCCCC)cc1 726498753 RLYYETRFFUTQNP-UHFFFAOYSA-N 276.332 3.515 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(OCC#N)c2)cc1 727744777 KJFLASKHKVCYJE-YFHOEESVSA-N 277.323 3.794 30 20 CHED Cc1cccc2c1C/C(=C\c1c(C)nn(C)c1Cl)C2=O 729148784 BBXDZBQWHOCEQG-DHZHZOJOSA-N 286.762 3.513 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(C)c(Cl)c1)c1ccccn1 729798014 JNVWPRPRNXTAID-MRXNPFEDSA-N 299.757 3.965 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc3c(c1)OCCO3)C2 730948244 AKAYDIIZDXMLFK-OQLLNIDSSA-N 292.334 3.589 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(Cl)nc1 731752021 MPXGRBKBNHSIIQ-UHFFFAOYSA-N 286.806 3.966 30 20 CHED CC(=NNc1nccnc1Cl)c1ccc(C)c(C)c1 733078845 MFANUWFBCAUBSX-UHFFFAOYSA-N 274.755 3.583 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](CC)OC2CCCC2)c1 733105202 VAKWWQZMGGPXJE-GOSISDBHSA-N 299.414 3.759 30 20 CHED CCCOc1ccc(C=NNC(CC)CC)cc1OC 734366378 PJZMBDUCCLKVPE-UHFFFAOYSA-N 278.396 3.596 30 20 CHED C=CCCCOC(=O)[C@H](c1ccccc1)N(CC)CC 735536566 QTZLFNLVUWURAZ-INIZCTEOSA-N 275.392 3.579 30 20 CHED N#Cc1ccccc1COC(=O)/C=C/C1CCCCC1 735564405 WLNAJAXNUCJGHI-ZHACJKMWSA-N 269.344 3.738 30 20 CHED CCCCCCOCc1cccc(NC(=O)[C@@H](C)C#N)c1 736673339 WIOAXANVDGVCPW-AWEZNQCLSA-N 288.391 3.882 30 20 CHED C=CCCOC(=O)c1ccc(Oc2ccccc2)c(N)c1 740241362 BUUQINDWLPOGHM-UHFFFAOYSA-N 283.327 3.794 30 20 CHED COc1ccc(O)c(/C=N/C[C@H](C)c2cccc(C)c2)c1 741165064 FTZVGRHQEIOXFY-BXUJETTOSA-N 283.371 3.932 30 20 CHED CCOc1cccc(/C=N/[C@@H](C)c2cccc(C#N)c2)c1O 743501761 RCCAJGDNOCIRLF-DZUMZMOTSA-N 294.354 3.843 30 20 CHED C#CCCCNC(=O)/C=C(\CC)c1cccc(Cl)c1 744612442 FEFJLKWVHIKFMR-OUKQBFOZSA-N 275.779 3.663 30 20 CHED C(=NOCc1cccnc1)c1ccccc1N1CCCCC1 746576519 KHKSNAFCRHQKLZ-UHFFFAOYSA-N 295.386 3.623 30 20 CHED COc1ccccc1CC(=NOCc1cccnc1)C(C)C 746585677 KBLUNBADELGHQL-UHFFFAOYSA-N 298.386 3.862 30 20 CHED Cc1nc(C)c(C=NNc2ccc(Cl)c(F)c2)s1 747636732 PWFGRTNJSWLKAB-UHFFFAOYSA-N 283.759 3.998 30 20 CHED Fc1cc(NN=Cc2c(F)cccc2F)cc(F)c1F 747642243 KYXVDZOUZOMVHT-UHFFFAOYSA-N 286.203 3.828 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cc2ccsc2[nH]1 748920117 FVNDIGOEQIMOME-UHFFFAOYSA-N 296.351 3.767 30 20 CHED Cc1cc(C#N)ccc1COC(=O)/C=C/c1ccccc1F 748923028 ZQYFHWVOQGLMRQ-CMDGGOBGSA-N 295.313 3.762 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(Cl)cc2)s1 749307569 AFFSLFHDOTWHMT-UHFFFAOYSA-N 277.732 3.630 30 20 CHED C(=NNCCCOc1ccccc1)c1ccccc1C1CC1 751133796 RTLMDVDVSADPNE-UHFFFAOYSA-N 294.398 3.957 30 20 CHED CC(C)Cc1ccc(/C=C2/CCc3c(cnn3C)C2=O)cc1 755701654 VJKPMXXXKRFYCO-WJDWOHSUSA-N 294.398 3.831 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc(OC(C)C)cc1 755819455 GEPPDXRFPRIYCO-MRXNPFEDSA-N 277.364 3.741 30 20 CHED C=CCC[C@H](NCc1ccc(-c2ccccc2)cc1)C(=O)O 756388750 PBZLPBDDTJLFJF-SFHVURJKSA-N 295.382 3.863 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2ccc(OC)c(C)c2)c1 757467293 DCGCTXAZMYSLQI-QPJJXVBHSA-N 298.338 3.614 30 20 CHED C=C[C@@H](CC(=O)OCc1cscn1)c1ccccc1 758906204 BOFNNXYJCUTXEY-LBPRGKRZSA-N 273.357 3.546 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)Oc2ccc(F)cc21 759083257 IMJPRWSXHSCRPJ-RUDMXATFSA-N 281.695 3.552 30 20 CHED N#Cc1ccc(F)cc1COC(=O)/C=C\c1cccs1 759349865 UCXVODRSKVDFKP-WAYWQWQTSA-N 287.315 3.515 30 20 CHED CCC1(CC)C(=NNc2cccc([N+](=O)[O-])c2)C[C@@H]1OC 762605389 VEKZDMRBAQEPAE-AWEZNQCLSA-N 291.351 3.588 30 20 CHED CC(C)(C)c1ccc(CC(=O)[C@@H](C#N)c2ccccn2)cc1 762997697 XXRASCDIGOAWIR-INIZCTEOSA-N 292.382 3.798 30 20 CHED C#CCCSc1nnc(Nc2cccc(C)c2)s1 763297551 HBRASWLNCYHWQR-UHFFFAOYSA-N 275.402 3.706 30 20 CHED CC[C@@H](C(=O)[C@H](C#N)c1ccncn1)C1CCC(C)CC1 764809725 HATGZXPKKXEDGR-NEXFUWMNSA-N 285.391 3.505 30 20 CHED Cc1cc(OC(=O)CCO[C@H](C)CC(C)C)ccc1C#N 765091184 DXBXVKQBCAAHQT-CQSZACIVSA-N 289.375 3.613 30 20 CHED C#Cc1cccc(NC(=O)NCc2c(C)cccc2C)c1 765873055 UPZFWPFMMFRLGA-UHFFFAOYSA-N 278.355 3.606 30 20 CHED C#CCCCSc1nc2ccc(Cl)cc2[nH]1 766278132 WZVATMABNXVBMO-UHFFFAOYSA-N 250.754 3.722 30 20 CHED C=CCOC(=O)CCCc1ccccc1Br 766281039 WODVALVPJDYRFR-UHFFFAOYSA-N 283.165 3.501 30 20 CHED C#CCOc1ccccc1CNc1ccc(N(C)C)c(C)c1 770528233 VUNBYQRFVWDQLX-UHFFFAOYSA-N 294.398 3.685 30 20 CHED COc1ccc2sc(C(=O)OC[C@H](C)C#N)c(C)c2c1 770930774 FVOBLCPTIDTPPH-SECBINFHSA-N 289.356 3.535 30 20 CHED C#CCOc1ccccc1CN[C@@H]1c2ccccc2C[C@@H]1C 772987309 IFQJRLIRLATKFT-YWZLYKJASA-N 291.394 3.722 30 20 CHED COc1ccc(C=NN[C@@H]2CCCCC2(C)C)c(OC)c1 773126881 WGLVRNAVVUNUKK-MRXNPFEDSA-N 290.407 3.596 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1nccnc1Cl 773203690 WCLRCYYGOVGTIG-GHMZBOCLSA-N 264.760 3.520 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)O)c1)CC2 774135728 MITBWDATEAQVCE-XNTDXEJSSA-N 292.334 3.906 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(F)c(F)c(F)c1 776189187 BWAVPFDHFLPLQF-ARJAWSKDSA-N 291.272 3.957 30 20 CHED COc1ccc(/C=C2\CCc3ccc(F)cc3C2=O)cc1O 776192139 IMBMLNHWRORGEA-MDWZMJQESA-N 298.313 3.752 30 20 CHED C[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)C1 776508509 STMIHRQEFZKAIU-BPLDGKMQSA-N 278.355 3.847 30 20 CHED CC(C)[C@H]1CC(=NN[C@@H](C)c2ccccc2)CCO1 776765479 AGAXGAGFFNLAFR-XJKSGUPXSA-N 260.381 3.528 30 20 CHED CC(C)OCCNN=Cc1cccc(Oc2ccccc2)c1 778552641 WCWJDGPPVGMIIA-UHFFFAOYSA-N 298.386 3.827 30 20 CHED COC(=O)c1cccc(NN=C(C)Cc2ccsc2)c1 779826266 JNGHLLZVAGVJRR-UHFFFAOYSA-N 288.372 3.565 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2ncncc2Cl)C1 780280780 TZEDLJGBUFVFGT-QWRGUYRKSA-N 266.776 3.744 30 20 CHED C[C@H]1CC[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1 781615382 RHQWTANYBXQSPV-WCBMZHEXSA-N 297.185 3.783 30 20 CHED Cc1cc(C)cc(NN=C2COCc3ccccc32)c1 782167306 ROROPPIDHLNNMI-UHFFFAOYSA-N 266.344 3.650 30 20 CHED CO[C@@H](C(C)=NNc1cc(Cl)ccn1)c1ccccc1 782268122 NCUFRRMUWNTDDL-HNNXBMFYSA-N 289.766 3.911 30 20 CHED C[C@H](OC(=O)c1ccnc(C2CC2)c1)c1cccc(C#N)c1 783367672 MDHGJKGJZPHRMT-LBPRGKRZSA-N 292.338 3.749 30 20 CHED Cc1ccc(NC(=S)N2CCC[C@@](C)(C#N)C2)c(C)c1 783774502 WYBLLOLVSVWHBE-INIZCTEOSA-N 287.432 3.626 30 20 CHED C=CCOc1ccc(OC(=O)[C@](C)(C=C)CC)cc1 785598654 PHRPYLTWCXKMBM-MRXNPFEDSA-N 260.333 3.759 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@@H](C)CC1)C(C)C 785946126 DPKGRIMUJDPVML-KGLIPLIRSA-N 252.402 3.561 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CNc1cccc(OCC#N)c1 785978869 KATWAWYDKYLOBH-PBHICJAKSA-N 270.376 3.993 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 786343241 ITSMEFGWMLPRHA-BFHYXJOUSA-N 263.381 3.828 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(C(C)C)c(Cl)c1 786391219 MAVBFDXYUCTYSC-NSHDSACASA-N 265.740 3.922 30 20 CHED C#CCC1(C(=O)Nc2cnc(Cl)c(C)c2)CCCCC1 788450641 SDZWPMYUAWUBQE-UHFFFAOYSA-N 290.794 3.956 30 20 CHED COc1cc(NN=Cc2csc(C)n2)ccc1Cl 788471756 HGGBAMUHPLSQSJ-UHFFFAOYSA-N 281.768 3.560 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@@H](O)C[C@@H]1C 788543265 SDVPKJPVNRNXHF-JYJNAYRXSA-N 283.456 3.745 30 20 CHED CCc1cccc(Cl)c1C=NNc1nccnc1Cl 788716013 ZPCWIYYRXNMLQC-UHFFFAOYSA-N 295.173 3.792 30 20 CHED Cc1cc(C(=O)/C=C/c2cc3ccccc3s2)n(C)n1 789159375 MKWFWXOOXVREJW-BQYQJAHWSA-N 282.368 3.839 30 20 CHED C=CC[C@@H](C(=O)Nc1n[nH]c(C)c1Cl)c1ccccc1 790984142 VINBFMQUBWZAML-GFCCVEGCSA-N 289.766 3.670 30 20 CHED CCCCCCCCC(=O)OC[C@@H]1CC2(CCC2)C(=O)O1 791331384 XYWKBTSVBCJCAI-AWEZNQCLSA-N 296.407 3.766 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CCC[C@@H](c2ccccc2)C1 792697666 DLEGNTROHLYFQL-HZPDHXFCSA-N 288.460 3.753 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H](F)CC1CCCCC1 793247303 XHIABVHEEPMYRQ-OAHLLOKOSA-N 282.403 3.693 30 20 CHED COc1ccc(/C=C/C(=O)c2ccnc(F)c2)cc1Cl 794719627 CGSSZNOGQHXJCB-DUXPYHPUSA-N 291.709 3.779 30 20 CHED Cc1nc(C#N)c(NN=CC2CCC(C(C)C)CC2)o1 794902308 VATVWQSTDZVKQB-UHFFFAOYSA-N 274.368 3.715 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCc2cc(C(C)(C)C)ccc21 795915196 QEPARQHQZQSCFN-GOSISDBHSA-N 284.403 3.813 30 20 CHED CC1CCC(OCC(=O)O[C@H](C#N)C2CCCCC2)CC1 795948854 AHSOVZNRHSLDLP-AVVWSFFYSA-N 293.407 3.597 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)OCCC(C)(C)C#N 796323245 FPALBHODSLBSPL-QWHCGFSZSA-N 251.370 3.686 30 20 CHED C=CCN(Cc1ccc(Cl)cc1OC)C(C)C 796453288 GBUUTWBPNZGSMJ-UHFFFAOYSA-N 253.773 3.745 30 20 CHED N#Cc1ccc(COC(=O)c2sccc2Cl)cc1 796999521 QEWINJWKXUQLEU-UHFFFAOYSA-N 277.732 3.630 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1ccc(C(F)(F)F)cn1 798672873 AOYOQJQRVGWZNQ-LLVKDONJSA-N 299.292 3.898 30 20 CHED COc1ccccc1CON=C1C[C@@H](OC(C)C)C1(C)C 799117811 PSZBXWNUYWDMJR-MRXNPFEDSA-N 291.391 3.791 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc2ccccc2n1 799865096 MTRBGHZQYMZDCH-CQSZACIVSA-N 283.375 3.839 30 20 CHED CN(C)c1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 800895886 ODHWXXFWDWBIQJ-UHFFFAOYSA-N 299.805 3.567 30 20 CHED C=CCNc1nnc(SCCSC(C)(C)C)s1 801653825 BMEMGUFUYSRDRH-UHFFFAOYSA-N 289.495 3.760 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCCOc1ccc(Cl)cc1 803783940 IEHAJLZNFJTOCD-HNNXBMFYSA-N 295.766 3.592 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C1CCCCCC1 804833793 LHRXQKWSGHLLFO-UHFFFAOYSA-N 269.388 3.619 30 20 CHED CC[C@@H](NCC(C)(C)CCC#N)c1ccc2c(c1)CCO2 806177040 SHRGICNLHKJOKK-MRXNPFEDSA-N 286.419 3.992 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(CC(F)(F)F)cc1 806303172 LBLAPUUAMNXDGO-GFCCVEGCSA-N 298.308 3.715 30 20 CHED C=CCCCCCCCCN1C(=O)[C@H]2CCCCN2C1=O 806674036 UGYWAGYRTXSBCZ-OAHLLOKOSA-N 292.423 3.720 30 20 CHED CCCCCCCCNC(=O)c1ccnc2ccncc12 807155145 SELUNJZQOMYMLV-UHFFFAOYSA-N 285.391 3.720 30 20 CHED C=CCCCCCCCCNC(=O)c1cncs1 807843234 GMFLDVUYBLYPIJ-UHFFFAOYSA-N 266.410 3.790 30 20 CHED CC1(C)CC(=NN[C@H]2CCSC2)CC(C)(C)C1 808002956 RGHYKHXITXRGMT-NSHDSACASA-N 254.443 3.674 30 20 CHED CCOc1cc(C=NNCC2CCCC2)cc(Cl)c1O 808005801 JQAKSSNPJBXUPL-UHFFFAOYSA-N 296.798 3.558 30 20 CHED CN(CCC#N)c1ccc(CN2CCC[C@H](C3CC3)C2)cc1 809787056 RSZNLVTVZKISPW-SFHVURJKSA-N 297.446 3.658 30 20 CHED C#Cc1ccccc1Cc1nc(C2(CC)CCCC2)no1 810309882 CVIYGENZZJSKAI-UHFFFAOYSA-N 280.371 3.864 30 20 CHED CC(=NOCCOC(C)C)c1cccc(C(F)(F)F)c1 812238147 SVVYJEOLGGZSJM-UHFFFAOYSA-N 289.297 3.871 30 20 CHED C/C=C(\C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 813278334 FUEKTPRXLLJJNZ-KGVSQERTSA-N 293.326 3.650 30 20 CHED FC(F)Oc1ccc(Cl)cc1C=NOCC1CC1 814244310 MVWWYDANFGNAJB-UHFFFAOYSA-N 275.682 3.702 30 20 CHED C[C@H](C=NNc1nccnc1Cl)C1CCCCC1 814850497 PYOUIDUKKUHREX-SNVBAGLBSA-N 266.776 3.744 30 20 CHED Clc1ccnc(NN=C2COc3c(Cl)cccc32)c1 814898614 QKGNVPMTOLBPII-UHFFFAOYSA-N 294.141 3.597 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 815411394 OYOCWGUCLGGJFR-RYUDHWBXSA-N 259.340 3.529 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CCC[C@@H](OC)C2)C(C)C)c1 815604347 MBFXEMCLKUGCHI-FUHWJXTLSA-N 299.414 3.615 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(Cl)nc1 815636802 CFMGTADLYXXBJV-LLVKDONJSA-N 252.789 3.988 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCCc2ccc(F)cc21 816545218 IOPGBAAOPCAPKN-ZDUSSCGKSA-N 283.293 3.531 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)c1ccnc(O)c1 818027973 VXLBJYFYHSTTEQ-ZDUSSCGKSA-N 278.396 3.715 30 20 CHED C=CCCC[C@@H](C)NC[C@H](O)c1ccc(F)cc1Cl 819210202 ULIPAARZTWNDIZ-ABAIWWIYSA-N 285.790 3.847 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](CC#N)C1 824379400 LADDZPDBFWQTHR-WMZOPIPTSA-N 298.430 3.716 30 20 CHED O=C(O)c1ccc(C=NOCc2cc3ccccc3o2)cc1 833312477 CGPMGFJLPOQOBS-UHFFFAOYSA-N 295.294 3.682 30 20 CHED C[C@@H](c1ccccc1Cl)N(C(=O)C#CC1CC1)C1CC1 837356230 ASGKHQSVPMHLNN-LBPRGKRZSA-N 287.790 3.805 30 20 CHED CC(C)Oc1ncc(Cl)cc1NC(=O)C#CC(C)(C)C 837685548 WDJLETRPXLCKIB-UHFFFAOYSA-N 294.782 3.510 30 20 CHED Cc1cccc2cc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)oc12 839049101 HISVLIBWZVSULI-GXTWGEPZSA-N 283.327 3.980 30 20 CHED CSc1ccsc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839053149 RXFSEEIAKIIQNP-ZJUUUORDSA-N 281.402 3.709 30 20 CHED CSc1ccc(CCCC(=O)O[C@@H](C)CC#N)cc1 842716366 FEELLJQCGOUYRZ-LBPRGKRZSA-N 277.389 3.577 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2ccc(CC(=O)O)cc2)C1 848413983 GWPVWLHDTGXMBZ-ZFWWWQNUSA-N 288.391 3.928 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ccc(-c2ccc(Cl)s2)nn1 848415388 TUHIHSWCNKMUIB-DTWKUNHWSA-N 292.795 3.912 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1ccc(OCC#N)cc1 849845600 CLEIWDJZUZQKNU-INIZCTEOSA-N 293.338 3.551 30 20 CHED CCC1(COC(=O)CC2(C#N)CCCCC2)CCOCC1 850934093 BSUIRKRFTOTHIX-UHFFFAOYSA-N 293.407 3.601 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccnc2ccccc12 851207337 BVDGKQOBASRHJW-GFCCVEGCSA-N 282.343 3.720 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1nc(O)c2ccccc2n1 853316735 ANEWHBZDQAJMRT-GFCCVEGCSA-N 296.374 3.870 30 20 CHED O=C(O)c1ccc(NN=C2CCC(=C3CCC3)CC2)cn1 853354283 CMGAIYDJPOOHBO-UHFFFAOYSA-N 285.347 3.602 30 20 CHED CC(CCCCC#N)=NNc1ccc(Cl)cn1 853434354 DQVYPVXCMREGHY-UHFFFAOYSA-N 250.733 3.607 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H](CCC)c1ccc(Cl)cc1 857612857 FBZZRZGANIPDAS-WFASDCNBSA-N 277.795 3.704 30 20 CHED CCCCCCCNC(=O)NCc1sc(C)nc1C 858110631 FSESFJSSTZVXDY-UHFFFAOYSA-N 283.441 3.530 30 20 CHED N#Cc1ccc(OC(=O)OCC2CCCCC2)cc1F 858964203 HZWMEHLSIBCUPX-UHFFFAOYSA-N 277.295 3.793 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C\c1ccc(SC)s1 859442270 JENFSLYXCYXIEV-BJPMOSCESA-N 267.419 3.564 30 20 CHED CCCCCCCNC(=O)c1cccc(NC(=O)OC)c1 862359021 DCLGWMYIPFLXIX-UHFFFAOYSA-N 292.379 3.565 30 20 CHED CC[C@@H](C)c1ccc(C(C)=NNc2ncncc2F)cc1 863115470 PUAXCBHKJXSIDS-LLVKDONJSA-N 286.354 3.965 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(CC2(CC#N)CC2)C1 878612371 KUOHYSBYUUEIFW-HOCLYGCPSA-N 254.377 3.763 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)CCCC(F)(F)F 879753807 HQPOQBJFOAOKQB-SNVBAGLBSA-N 265.319 3.826 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(OC(C)(C)C)c2)C1 888559109 NXPXKPFETNERNN-UHFFFAOYSA-N 286.375 3.742 30 20 CHED C=CC(C)(C)CC(=O)NC1(c2nccs2)CCCC1 889017893 XMVPFUQRMQTNOM-UHFFFAOYSA-N 278.421 3.631 30 20 CHED N#Cc1ccc(F)c(NC(=O)CC2=CCCCC2)c1 891450445 HNKVYZKASNFNOM-UHFFFAOYSA-N 258.296 3.526 30 20 CHED CN(Cc1cc(-c2ccccc2)n[nH]1)CC(C)(C)CCC#N 898119351 OUBOHPDZZAECHS-UHFFFAOYSA-N 296.418 3.838 30 20 CHED CC[C@H](NCc1cccc(OC)c1)c1cccc(C#N)c1 902727022 WPRXGQSYQSRNIU-SFHVURJKSA-N 280.371 3.808 30 20 CHED C=C[C@H](CC(=O)Nc1nccnc1C1CC1)c1ccccc1 906421959 WHLQCNRFUHPSPG-CYBMUJFWSA-N 293.370 3.652 30 20 CHED C=CCN(C(=O)Cc1ccccc1SCC)C1CC1 907212345 QQSRUJZRRVMNMS-UHFFFAOYSA-N 275.417 3.518 30 20 CHED CC(=NNc1ccc(Br)cc1)c1ccc[nH]1 912828026 FEEUMBRODVUSKG-UHFFFAOYSA-N 278.153 3.613 30 20 CHED CCCNN=CC1=Cc2cc(Cl)cc(Cl)c2OC1 915965051 BVEGREGWDJNCQJ-UHFFFAOYSA-N 285.174 3.755 30 20 CHED O=C(/C=C\c1cccc2c1OCO2)c1ccc(F)cc1F 915984720 NGNBNRSYHPLAPO-DAXSKMNVSA-N 288.249 3.590 30 20 CHED CCc1ccccc1NN=Cc1cccc2c1OCCCO2 917547763 AXYPEUXCUKHYOK-UHFFFAOYSA-N 296.370 3.856 30 20 CHED C#Cc1cccc(NC(=O)/C=C(\C)c2ccccc2)c1 917631512 POIGXZQGCQCLQQ-WYMLVPIESA-N 261.324 3.710 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NC[C@@H]1CCCOC1 918018894 JMIXDSZMGOXQNX-CVEARBPZSA-N 298.471 3.709 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(OCC#N)c1 920438778 ZZWNDEONMXUYJQ-UONOGXRCSA-N 286.375 3.744 30 20 CHED Cc1ccc(C/N=C\c2cc(Cl)ccc2O)cc1 920943222 TUWVAOUJUKTHRR-YVLHZVERSA-N 259.736 3.973 30 20 CHED COc1ccc(CC[C@H](C)/N=C\c2cccc(O)c2O)cc1 921260535 AOYJIRVXRVWUPD-QXGSTRBFSA-N 299.370 3.547 30 20 CHED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1cccc(OCCCC#N)c1 922511531 NXBIPHBSSDQVBV-NKGKWGDASA-N 284.403 3.503 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(NC(=O)C2CC2)cc1 925730698 HRZJYRAQBHUVIC-GFCCVEGCSA-N 285.391 3.775 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(-c2ocnc2C)cc1 928818793 HYIMILHUQYZNPU-UHFFFAOYSA-N 270.332 3.801 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1COC(C)(C)C 932536587 HTQJQIKKLGOHNW-CQSZACIVSA-N 288.391 3.535 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1c1cccc(C)n1 934893124 LUYUBIISRONBPI-GOEBONIOSA-N 272.392 3.656 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)c1ccccc1C 935422204 LHIREKXWURRELJ-ZDUSSCGKSA-N 297.320 3.513 30 20 CHED CC(C)(CNC(=O)CC#Cc1ccccc1)C1CCCC1 1116366440 OKSUXNLHMPMSAT-UHFFFAOYSA-N 283.415 3.761 30 20 CHED CC/C=C\CCSCCC(=O)Nc1cccc(C#N)c1 1116635445 AQSQAAILLOXVMM-ARJAWSKDSA-N 288.416 3.976 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1cccc(CC#N)n1 1116777663 YAQPWEMNNXDFPC-FYWRMAATSA-N 277.371 3.687 30 20 CHED CC(C)[C@H](Cc1ccccc1)NC(=O)CCCCCC#N 1119443446 NWVHDOZRFKPRKJ-KRWDZBQOSA-N 286.419 3.844 30 20 CHED Cc1cccc([C@H]2CCCN2c2nc(C)cc(C)c2C#N)n1 1120870001 HVGNNTNAMXORQC-QGZVFWFLSA-N 292.386 3.615 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc(C)c(Cl)cc1C 1121252723 HEZRPAJVAJUGRZ-GFCCVEGCSA-N 278.783 3.721 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@H](C)SC)c1cccs1 1123011162 WJRHEMFWFURDBD-HOSYDEDBSA-N 283.418 3.634 30 20 CHED Cc1csc(CNC(=O)c2ccc(C#N)c(Cl)c2)c1 1129061826 LEKHHJDHEYSFQI-UHFFFAOYSA-N 290.775 3.512 30 20 CHED CCc1ccc2ccccc2c1CNc1nccnc1C#N 1164099084 OZVUHNUOLYPDGU-UHFFFAOYSA-N 288.354 3.676 30 20 CHED CCC(=O)N(C)c1ccc(NCc2ccc(C#N)cc2)cc1 1179457190 CHTORNCDSOQOIV-UHFFFAOYSA-N 293.370 3.543 30 20 CHED Cc1ccc(-c2c(NC(=O)CC(C)(C)C#N)n[nH]c2C)cc1 1181918044 CYFOSSMXMRYNCD-UHFFFAOYSA-N 296.374 3.572 30 20 CHED N#C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 1203810302 CKZRWCQYEOZOJN-SNVBAGLBSA-N 269.175 3.729 30 20 CHED Cc1cc(Cl)cc(C)c1CN1CCC[C@H](C#N)C1 1237350544 OKKCUQWXVDXFJG-CYBMUJFWSA-N 262.784 3.692 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)C1 1264797853 ZOWDNAZBLQWDMB-VXGBXAGGSA-N 290.794 3.768 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(C(C)(C)C)nn2)C1 1318580491 MJRBQMQXSZWOKO-LLVKDONJSA-N 260.385 3.752 30 20 CHED N#CCc1cccc(N(Cc2ccc(F)cc2F)C2CC2)n1 1320656647 WCJNHZOJSYQVEN-UHFFFAOYSA-N 299.324 3.595 30 20 CHED CN(C)c1cccc(Cl)c1CNc1cccc(C#N)c1 1323570781 VGEXPPIPPMEADC-UHFFFAOYSA-N 285.778 3.890 30 20 CHED C[C@H](Oc1cccc(Cl)c1)c1nnc(CCCC#N)o1 1327362389 ANTVVEVFTSBPNX-JTQLQIEISA-N 291.738 3.709 30 20 CHED N#Cc1cccc(-c2nnc(CC3(C#N)CCCCC3)o2)c1 1329324287 SGIJGAGFLMBIIZ-UHFFFAOYSA-N 292.342 3.625 30 20 CHED N#CCCCCOC(=O)C1(C(F)(F)F)CCCCC1 1330231372 RHHHRLMRRNXPCE-UHFFFAOYSA-N 277.286 3.736 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ncc(Cc2ccccc2)o1 1334374471 VXPONAPQXHANPK-CQSZACIVSA-N 298.386 3.740 30 20 CHED CCc1csc([C@H](C)Nc2c(C#N)cccc2C#N)n1 1335508088 XBTZSRCCBCTAAL-JTQLQIEISA-N 282.372 3.622 30 20 CHED C=C(C)CCC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 1337743454 KWNGGNODDTZCJI-LBPRGKRZSA-N 289.375 3.704 30 20 CHED Fc1ccc(CNN=C2CCCNc3ccccc32)cc1 1338292760 OOYAQZXNHZWRGY-UHFFFAOYSA-N 283.350 3.525 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1ccccc1F 1339281426 ROMXDAWJWPJDOH-HNNXBMFYSA-N 275.367 3.716 30 20 CHED C=C(CC)C(=O)N(Cc1ccc(OC)cc1)[C@H](C)C1CC1 1348644372 ZLRMEYOHPPVQCR-CQSZACIVSA-N 287.403 3.789 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(F)c2cccnc12 1349090669 PQVMBTUMBGYOCB-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)[C@@H](CC#N)c2ccccc2)C1 1352586362 JWPZWRLAEBXAFC-KBMXLJTQSA-N 271.360 3.806 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1OC 1356241250 LAFQTJRLHQOCHZ-AWEZNQCLSA-N 288.391 3.968 30 20 CHED CC1(C)C[C@]1(CNc1ncc(C#N)cc1F)c1ccccc1 1458497044 VFTRBMFEQODMAG-SFHVURJKSA-N 295.361 3.872 30 20 CHED Cc1cc2ncn(CCc3ccc(C#N)cc3)c2cc1C 1459035444 IJPNCZGKNDRZTL-UHFFFAOYSA-N 275.355 3.768 30 20 CHED N#Cc1cccc(OCCN2CCCC3(CCCC3)C2)c1 1459965397 WGGNDRNNFINCGS-UHFFFAOYSA-N 284.403 3.593 30 20 CHED CC[C@@H](C#N)C(=O)N(C)c1ccc(Oc2ccccc2)cc1 1464575194 LBPRVCWISLDYKO-AWEZNQCLSA-N 294.354 3.991 30 20 CHED CCc1ccc(CN(c2ccnc(C#N)c2)C2CC2)cc1 1472656315 OGEZFECJQYVCAL-UHFFFAOYSA-N 277.371 3.685 30 20 CHED CC[C@@H]1CN(Cc2ccc(Cl)cc2C#N)[C@H](CC)CO1 1473618695 UOLUVBPNTRKPAC-HZPDHXFCSA-N 292.810 3.601 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2C[C@H](C)CCC#N 1474462570 KMFULJZPGBKGSG-ZIAGYGMSSA-N 258.365 3.522 30 20 CHED C[C@@H](NC(=O)Cc1ccccc1CC#N)C1CCCCCC1 1515033310 QIPCONJYSOQHNR-OAHLLOKOSA-N 298.430 3.770 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ncc(Cl)cc2Cl)C1 1518247023 BGEURTHMSJRVNJ-PSASIEDQSA-N 299.157 3.628 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F 1532198665 DEPWGGJUICTVEC-HIFRSBDPSA-N 289.350 3.957 30 20 CHED CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccsc1 1537995283 XVWHKKGKYGHURE-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)C1(C#N)CCCCC1 1544683545 AHCJKJMYVYLVIW-LSDHHAIUSA-N 276.424 3.793 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N(C[C@H](C)C#N)C1CC1 1546327963 JGZGTXSUVDAXED-NVXWUHKLSA-N 298.430 3.714 30 20 CHED CC[C@@H](CNc1nccc(C)c1C#N)Oc1cccc(C)c1 1559073424 XMKWJXDLWJRFSP-HNNXBMFYSA-N 295.386 3.840 30 20 CHED C[C@@H](Nc1cc(C#N)cnn1)c1ccccc1C(F)(F)F 1559119638 QQAWIWAINARGBE-SECBINFHSA-N 292.264 3.540 30 20 CHED CC(C)N(C(=O)Cc1cccc(C#N)c1)c1cccc(F)c1 1587771924 IKPBTBVLGTVLOO-UHFFFAOYSA-N 296.345 3.681 30 20 CHED C=CC[C@H](S[C@@H](C)c1ccc(F)cc1)C(=O)O 1588759210 RKGUEHGWBFGBAS-CABZTGNLSA-N 254.326 3.649 30 20 CHED N#Cc1cc2c(nc1SCCc1ccccn1)CCCC2 1640826662 MJEGPVZIXNXKIR-UHFFFAOYSA-N 295.411 3.562 30 20 CHED Cc1cc(N2CCc3c(Cl)cccc32)c(C#N)cn1 1650867514 KWHZEPBMLSILLJ-UHFFFAOYSA-N 269.735 3.609 30 20 CHED CCc1ccc2c(c1)CN(Cc1ccc(F)cc1C#N)CC2 1655931597 NDXPPGHUGPRTMS-UHFFFAOYSA-N 294.373 3.818 30 20 CHED CCC1(c2ccccc2)CN(Cc2cccc(F)c2C#N)C1 1658315222 QJYIYYHDCFQOBX-UHFFFAOYSA-N 294.373 3.861 30 20 CHED CC[C@@H](C)[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)OC 1659042426 RVPKONXNCZIPKZ-BEFAXECRSA-N 298.430 3.708 30 20 CHED C[C@@H](CC1CCCCC1)CN1CC[C@@](F)(C#N)C1 1659459288 WFTVIWVWUHBSEG-DZGCQCFKSA-N 252.377 3.530 30 20 CHED N#Cc1cc(F)cc(NC[C@H]2C[C@H]2c2ccccc2)c1 1665454550 WHGQINSDWGITCW-PBHICJAKSA-N 266.319 3.913 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1sccc1C#N 1678968897 OEMASFLUIOHTQI-YGRLFVJLSA-N 277.393 3.710 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)Nc1sccc1C#N 1678969354 YHTNHBOQEBDLTC-WCQYABFASA-N 291.420 3.958 30 20 CHED O=C(O)c1cc2cc(C=NNc3cccc(F)c3)ccc2o1 1776038743 CAIGDIFBYZMHNJ-UHFFFAOYSA-N 298.273 3.716 30 20 CHED C=CCCC(C)(C)CNc1c(C(=O)O)nnc2ccccc12 1776165419 RSRUKIMHAOGNNF-UHFFFAOYSA-N 299.374 3.732 30 20 CHED C=CCC[C@H](C)N1CC[C@@H]2C[C@H](CC(=O)O)CC[C@@H]2C1 1776166166 OXWPHQLDCQHISP-ZJIFWQFVSA-N 279.424 3.554 30 20 CHED C=CCCN(C)c1c(C(=O)O)cnc2c(C)c(C)ccc12 1776174650 KCYXBMSENYYJCZ-UHFFFAOYSA-N 284.359 3.562 30 20 CHED N#Cc1ccc(Cl)cc1NCC[C@@H]1C[C@H]2CC[C@H]1O2 413410801 QABORILOWFBLAL-WDBKCZKBSA-N 276.767 3.581 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc2[nH]ccc2c1 107595243 LWDPEFGGOGKRQI-UHFFFAOYSA-N 297.402 3.960 30 20 CHED C#Cc1cccc(NC(=O)Cc2coc3cc(C)ccc23)c1 23359422 PUZSDZLOFCATRR-UHFFFAOYSA-N 289.334 3.904 30 20 CHED C=C(C)CN1CCC(NCc2ccc([C@H]3C[C@H]3C)o2)CC1 106245738 QYWFYFALBQSUQX-PBHICJAKSA-N 288.435 3.533 30 20 CHED Cc1ccc(NCc2ccc(N(C)CCC#N)cc2)c(C)n1 119055400 VEMZIBPLDDIJJP-UHFFFAOYSA-N 294.402 3.660 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cc(Cl)cc(Cl)c2)C1 179947709 CDVRSWAVXRGKGU-UFBFGSQYSA-N 284.142 3.842 30 20 CHED C[C@@H](NCCc1cc(F)cc(F)c1)c1ccc(C#N)cc1 60717551 MQNZJXRELSHROH-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C=CCCCC(=O)N(CC)[C@H](C)c1cccc(OC)c1 175838463 SVWWFSQYNJCCGU-CQSZACIVSA-N 275.392 3.961 30 20 CHED O=C(/C=C\c1cccc(Br)c1)c1ccncc1 116046284 QZHJPFDMRRNUBY-PLNGDYQASA-N 288.144 3.740 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccccc2C)c1C 65722708 RDDMUNDBFAJKIC-ZHACJKMWSA-N 268.360 3.724 30 20 CHED CC(C)(NCc1ccc(C#N)cc1F)c1ccc(F)cc1 171672319 IQFAPHHWHAVGKV-UHFFFAOYSA-N 286.325 3.861 30 20 CHED C[C@@H](c1ccccc1F)N(C)c1ccc(Cl)c(C#N)n1 301494880 AGRAJVURQIXHKT-JTQLQIEISA-N 289.741 3.943 30 20 CHED CC(C)(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 301391943 ZCBCMURIATYBMN-UHFFFAOYSA-N 264.756 3.976 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 112775571 HXLMOCQQSGWKOO-UONOGXRCSA-N 298.292 3.579 30 20 CHED N#Cc1ccc(Nc2cnn(-c3ccc(Cl)cc3)c2)nc1 302479244 XRIMEYZOJGHWQB-UHFFFAOYSA-N 295.733 3.536 30 20 CHED COCc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1 176411558 FEKFNIRKOJXOGU-NVNXTCNLSA-N 282.314 3.795 30 20 CHED C=CCCCSc1nc2ccccc2c2nc(C)nn12 117550147 GFMWNMAUZJZBIP-UHFFFAOYSA-N 284.388 3.644 30 20 CHED COc1cc([C@H](C)N[C@@H](C)CCC#N)ccc1OC(C)C 411450205 MZEAHNRHGPLBRU-KBPBESRZSA-N 290.407 3.825 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1(Cc2ccccc2)CC1 177002061 YUQVIUFTOGHREI-UHFFFAOYSA-N 290.366 3.828 30 20 CHED C=CCCOc1ccc(C(C)=O)cc1Br 61695480 RBKVTYLPDHWERA-UHFFFAOYSA-N 269.138 3.607 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(CC#N)c1)[C@H]1CC1(C)C 417208284 OJSORVZZINDQPC-HUUCEWRRSA-N 285.391 3.699 30 20 CHED N#Cc1cc(F)ccc1NCCc1cc2ccccc2[nH]1 301737707 IKWMKDGOBZGKFC-UHFFFAOYSA-N 279.318 3.833 30 20 CHED COC(=O)c1cccc(CSc2cccc(C#N)c2)c1 177114673 DVOCTKWCTALZFN-UHFFFAOYSA-N 283.352 3.637 30 20 CHED Cc1ccc(N/C(N)=N\CCCSCC(C)C)cc1C 305302241 NVCKRHKTGQWBJU-UHFFFAOYSA-N 293.480 3.809 30 20 CHED N#CCOC(=O)c1ccc(CSc2ccccc2)cc1 23882463 YFPMDWXCFQVCIF-UHFFFAOYSA-N 283.352 3.659 30 20 CHED CN(C(=O)C[C@H]1C=CCC1)c1cc(Cl)ccc1C#N 176433499 KFIJBHNZEQGJRP-NSHDSACASA-N 274.751 3.531 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1c1cccc(F)c1C#N 301373298 UNVKOEWGUQNFTD-LALPHHSUSA-N 258.340 3.855 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2c2ncccc2C#N)c1 301693026 YOPVDVJVTXAYQS-KRWDZBQOSA-N 277.371 3.912 30 20 CHED C=C[C@H](CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 121304733 QTDXGIFXGWJQGV-CYBMUJFWSA-N 295.338 3.714 30 20 CHED C=CCCSc1nnc(/C=C/c2ccccc2)[nH]1 128741472 LFRFDWSUINFVSF-MDZDMXLPSA-N 257.362 3.643 30 20 CHED C=CCN(CC=C)C(=O)Cc1c[nH]c2cc(Cl)ccc12 67969610 CSQMBWLYZKJRFY-UHFFFAOYSA-N 288.778 3.564 30 20 CHED CCc1ccc(CCC(=O)Nc2ccccc2C#N)cc1 60742066 OFWUYSWEZJQIAQ-UHFFFAOYSA-N 278.355 3.692 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]1c1ccncc1 121988224 KFFODFQUQOIVPN-INIZCTEOSA-N 270.376 3.514 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)cc1F 187795333 JVCUXFVLBNNSRI-CQSZACIVSA-N 285.746 3.646 30 20 CHED C=C(Cl)CN1CCC(Oc2ccc(F)cc2F)CC1 120791091 VIHQPFQGIQGSIN-UHFFFAOYSA-N 287.737 3.561 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1nc(C)c(C)s1 181040019 BRQIHJJSWFLPDH-VIFPVBQESA-N 267.398 3.626 30 20 CHED C=C[C@@H](CC(=O)N[C@@H]1C=CCCC1)c1ccccc1 127018281 NADPATGRICEZHV-GOEBONIOSA-N 255.361 3.571 30 20 CHED CC1(C)C[C@H](/N=C/c2cc3ccccc3nc2O)C(C)(C)O1 182048318 XMTWXCNMTJPKET-BKQORJHRSA-N 298.386 3.705 30 20 CHED Cc1cnc([C@H](C)CN[C@@H](C)c2ccc(C#N)cc2)s1 186771212 HKOWQRBABZEBSY-YPMHNXCESA-N 285.416 3.778 30 20 CHED C=CCC[C@H](C(=O)N(C)CCC1CC1)c1ccccc1 188741394 SWTPFBDYDZWLLN-KRWDZBQOSA-N 271.404 3.995 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](Cc2ccccc2)C1 188447378 CZAJGDLSIUSQCY-SJLPKXTDSA-N 271.404 3.680 30 20 CHED C=CCCCC(=O)N[C@H](CC(C)(C)C)C(F)(F)F 180494637 XJKOXWHMIUDKNG-SNVBAGLBSA-N 265.319 3.826 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CC=CC2)cc1 76996938 APDBNOBKWBSDSI-INIZCTEOSA-N 282.387 3.631 30 20 CHED CCO[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)C12CCC2 182052874 UEDZHVLDQHRJTP-RCCFBDPRSA-N 298.430 3.969 30 20 CHED C=CCC[C@@H](C(=O)N(C)c1ccccn1)c1ccccc1 186852244 UNFWOEGKBQMHKZ-MRXNPFEDSA-N 280.371 3.794 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Sc1ccc(OC)cc1 410130932 ACZGINVGWSYJHI-STQMWFEESA-N 293.432 3.647 30 20 CHED CC[C@@H](C#N)OC(=O)CC1(CSc2ccccc2)CC1 187529388 YNEHDTQZZACTDF-ZDUSSCGKSA-N 289.400 3.794 30 20 CHED N#Cc1cccc(COc2cccc(CNC3CCC3)c2)c1 501377919 NDYBQXFDNSZQRG-UHFFFAOYSA-N 292.382 3.779 30 20 CHED C[C@H]1CC(Nc2nc(Cl)c(C#N)s2)C[C@H](C)C1 235630340 JOCMEPXNMLKSAF-HTQZYQBOSA-N 269.801 3.905 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1ccc(C)cc1Cl 489443413 IDXZJMPODHCAFH-ZDUSSCGKSA-N 292.810 3.627 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(CSC)cc1 188508710 VEBPZGMTCYHDQQ-INIZCTEOSA-N 293.432 3.717 30 20 CHED CC1(C)[C@H]2OCC[C@@H]2[C@H]1/N=C/c1c(O)ccc2ccccc12 78052676 UXYMZXLCDKUGET-XFUCGVQSSA-N 295.382 3.778 30 20 CHED Cc1nc(C)c(C)c(N[C@H]2CCCc3cc(C#N)ccc32)n1 419013554 IBGYPAMVRKDNBG-KRWDZBQOSA-N 292.386 3.763 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1sccc1SC 182632218 KMKWETXNUBMXTC-SNVBAGLBSA-N 269.435 3.945 30 20 CHED COc1cc(N[C@H]2CCC[C@H](C#N)C2)c(OC)cc1Cl 185751192 GDNVWLFBSHUOBK-QWRGUYRKSA-N 294.782 3.851 30 20 CHED N#CCCN(C(=O)C1CCCCC1)c1ccc(F)cc1 72678555 WMPJKGVOMIBVSG-UHFFFAOYSA-N 274.339 3.653 30 20 CHED CC[C@H](c1ccncc1)N(C)c1cccc(F)c1C#N 77989678 OADZVMOVWJEYFY-OAHLLOKOSA-N 269.323 3.680 30 20 CHED Cc1ccc([C@@H](C)NC(=O)CCc2ccc(C#N)cc2)cc1 74364728 LESBTUVUTTZPFG-OAHLLOKOSA-N 292.382 3.677 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 188886551 ANCPHOXJSGYCRC-QGZVFWFLSA-N 285.431 3.824 30 20 CHED Cn1nc(C2CCCC2)cc1NCC(C)(C)CCC#N 181024141 FGKSZEPIBGZVFB-UHFFFAOYSA-N 274.412 3.820 30 20 CHED C#CCCCCN[C@H]1CCSc2c(F)cccc21 181304076 VAOSYJVMYJYSHO-AWEZNQCLSA-N 263.381 3.756 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(NC(C)=O)c1 182797087 DHCCIEKIJSSUNW-GFCCVEGCSA-N 289.379 3.511 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1cccc(F)c1F 181958925 MGGLSSVGJBBQIL-LLVKDONJSA-N 266.335 3.945 30 20 CHED Cn1c(COc2ccc(C#N)cc2Cl)nc2ccccc21 504282592 VJRFVBWGXUJRKC-UHFFFAOYSA-N 297.745 3.677 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(N(C)C(C)C)c1 185747776 VEVWZDLDKGVWTD-UHFFFAOYSA-N 272.392 3.519 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1ccc(C2CCC2)cc1 286555102 RTLAYFRYXQIRKP-KRWDZBQOSA-N 270.376 3.510 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)C(C)(C)c1ccccc1 84095809 LZXIFVSIOCPHTM-GFCCVEGCSA-N 298.411 3.716 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)cc1CC#N 410964003 GVUFSQIEKANXKK-LLVKDONJSA-N 276.767 3.947 30 20 CHED C/N=C(/O)Nc1cc(NC2CCC3(CC2)CC3)ccc1F 329054506 AOXMDSYJEAVNLC-UHFFFAOYSA-N 291.370 3.916 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 341448683 BWSXEVSUYCLUIH-RBSFLKMASA-N 255.365 3.724 30 20 CHED C[C@@H]1C/C(=C/c2cncs2)C(=O)c2ccccc21 131138204 XVFWQTVOPZNTNZ-PAKSIRSJSA-N 255.342 3.917 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](CC)c1cc(F)ccc1F 130152205 DTNNOZOYFLFOFV-IAQYHMDHSA-N 297.345 3.513 30 20 CHED C=CCN(CC=C)Cc1cnc(-c2ccco2)s1 194299754 ZSHRZFUPWKFCEX-UHFFFAOYSA-N 260.362 3.577 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccccc1SC 424808348 GROQDPICEIOFOR-UHFFFAOYSA-N 277.433 3.969 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)N(CC#N)c1ccccc1 195116934 OEBYYNXTFSEASE-AWEZNQCLSA-N 296.345 3.561 30 20 CHED COc1ccc(CN[C@@H](C)c2ccccc2C)cc1C#N 87822531 CNKAXNWHBKRZNZ-AWEZNQCLSA-N 280.371 3.726 30 20 CHED CCCCCCCC(=O)NCc1cccc([N+](=O)[O-])c1 194954840 CZWHPEDKKWVOFX-UHFFFAOYSA-N 278.352 3.572 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2c(O)cccc21 190991405 UVSMWZRNCYYOJA-CZUORRHYSA-N 287.403 3.673 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(SC)cc1 192853187 UYPKXGSOHAWOGM-UHFFFAOYSA-N 262.378 3.614 30 20 CHED CC[C@](C)(NCc1ccc(C#N)cc1C)C(F)(F)F 614403540 IQBOWXBTUNQCJZ-ZDUSSCGKSA-N 270.298 3.687 30 20 CHED N#Cc1c(F)cccc1NCC1(c2ccccc2)CC1 48399680 BAQGWIIIFWRLAB-UHFFFAOYSA-N 266.319 3.841 30 20 CHED C#CCCCC(=O)Nc1cccc(OCC(F)(F)F)c1C 192107308 HTNRBQIRXLSVDP-UHFFFAOYSA-N 299.292 3.678 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@H]2CCCC[C@@H]21 41904562 DOOVJCKCDGRVFH-XYPHTWIQSA-N 282.387 3.599 30 20 CHED C=C(Br)CNc1ccnc2cc(F)ccc12 381513702 YVKHNIGFYFVTMK-UHFFFAOYSA-N 281.128 3.694 30 20 CHED C=CCC1(C(=O)Nc2cc(C(F)(F)F)ccn2)CCC1 191246904 STJZNMWDQADPNT-UHFFFAOYSA-N 284.281 3.785 30 20 CHED CCCC[C@H](NC(=O)c1cc(C#N)oc1C)C1CCC1 331955292 JGLNHDGGMIDLJA-HNNXBMFYSA-N 274.364 3.548 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2c(Cl)cccc2Cl)no1 335152313 OYCQYLYJGVDWTR-CPFSXVBKSA-N 294.141 3.845 30 20 CHED C=C1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 336601689 HXZMXPQCCVJSBA-NWDGAFQWSA-N 275.314 3.534 30 20 CHED CC[C@@H]1CC[C@H](C(O)=Nc2ccccc2-c2ncc(C)[nH]2)O1 330208067 ASWKXXDSVCVTEO-IUODEOHRSA-N 299.374 3.931 30 20 CHED C=CCOCCCc1nc([C@@H]2CCCC(C)(C)C2)no1 339791219 DEYMGFBSCFOZLP-CYBMUJFWSA-N 278.396 3.889 30 20 CHED CC[C@H](N/C(O)=N/CCC(C)(C)C)c1c(C)noc1C 330457590 HGNDKYRQCNNCLV-LBPRGKRZSA-N 281.400 3.682 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccccc1)C1CC1 436312982 LAWYYGWWQFYVMF-FHWLQOOXSA-N 285.431 3.579 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccnc(Oc2ccccc2)c1 438494799 OJIAZQGQFFYBMW-ZDUSSCGKSA-N 297.358 3.960 30 20 CHED N#Cc1c(Cl)nsc1Oc1ccc(F)cc1F 92582949 FYSSWARBJZBLKY-UHFFFAOYSA-N 272.663 3.739 30 20 CHED CCN(Cc1cc(C(F)(F)F)ccc1F)C[C@@H](C)C#N 91983640 YVTHXVAKXMTPMI-JTQLQIEISA-N 288.288 3.826 30 20 CHED Cc1c(Cl)cnc(N2CCC=C(c3ccco3)C2)c1C#N 343229093 YYLIMXLODCJBSA-UHFFFAOYSA-N 299.761 3.802 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)CC 342539021 ODIJQOPAKWNACI-UHFFFAOYSA-N 291.439 3.805 30 20 CHED CC(C)CCN(CCC#N)CCc1ccccc1F 345243331 DAXGLZUZPJVXJB-UHFFFAOYSA-N 262.372 3.630 30 20 CHED C=CCCC(=O)N1CC[C@@](C)(CCc2ccccc2)C1 434245785 NRIHFMSIQHOKAL-GOSISDBHSA-N 271.404 3.824 30 20 CHED C[C@H](SC[C@H]1CCCOC1)c1cccc(C#N)c1 526948499 GLAZCTOBWFXDOS-JSGCOSHPSA-N 261.390 3.779 30 20 CHED N#CCSc1cccc(-c2nc(-c3ccco3)no2)c1 340662647 RNEHYAQXHYLWAP-UHFFFAOYSA-N 283.312 3.612 30 20 CHED CC(C)Oc1ccc(NC(=O)C23CCC(CC2)C3)cc1C#N 342601472 VXHQMZKXXBDCLL-UHFFFAOYSA-N 298.386 3.864 30 20 CHED C=CC1CCN(Cc2csc(CCCC)n2)CC1 600679930 IALZEXGIXSMQOM-UHFFFAOYSA-N 264.438 3.884 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(CC2(C#N)CC2)C2CC2)o1 343258944 KLTAWUUAVIDBKT-DOMZBBRYSA-N 270.376 3.671 30 20 CHED Cc1nsc(N[C@@H]2C[C@@H]2c2c(F)cccc2F)c1C#N 343046991 USMRMCJPXIWVNJ-QPUJVOFHSA-N 291.326 3.569 30 20 CHED CCCN(CC#N)C(=O)[C@H](C)Sc1ccccc1Cl 346480830 HYEWPDSNNNZGAR-NSHDSACASA-N 296.823 3.583 30 20 CHED C=CCN[C@H](C)c1ccc(Oc2cccnc2)cc1 343940714 NTQPEVFTUZEFRM-CYBMUJFWSA-N 254.333 3.711 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 247751399 ZGFXFPBYVVOQCM-DVVUODLYSA-N 297.185 3.515 30 20 CHED Cc1ccc(C#N)c(Nc2ccc3scnc3c2)n1 343227653 KLJTUZSLRRCOJE-UHFFFAOYSA-N 266.329 3.615 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cn(-c2ccccc2)nc1C 439387947 PUNDAEOXNKEFOQ-CQSZACIVSA-N 298.390 3.657 30 20 CHED C[C@H]1CN(CC#Cc2ccc(F)cc2)[C@@H]1c1ccccc1 437574243 AVZQFKPUSSWEDS-KXBFYZLASA-N 279.358 3.870 30 20 CHED Cc1cccc(/C=C\C(=O)c2cnn(C(C)C)c2)c1C 255546430 YSXHKWSFEDGDKY-HJWRWDBZSA-N 268.360 3.977 30 20 CHED C=CCOc1ccc(C(=O)Nc2sc(C)nc2C)cc1 340821797 RYUHIOLKRFZIHO-UHFFFAOYSA-N 288.372 3.577 30 20 CHED Cn1cc(/C=C2\CCCC(C)(C)C2=O)c(C(C)(C)C)n1 255585644 UZLDSGALQKLIFN-ZRDIBKRKSA-N 274.408 3.880 30 20 CHED CC(=NOCc1cc(C)on1)c1cc2ccccc2o1 255426007 CBGNUXLAMXXUOR-UHFFFAOYSA-N 270.288 3.670 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(SC)cc1OC 602324889 UMBWKONXYMLJIH-UHFFFAOYSA-N 292.404 3.686 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CSc3ccccc32)c1 341583965 KJYBPHCKNKOQQM-ZDUSSCGKSA-N 297.339 3.725 30 20 CHED O=[N+]([O-])c1cccc(C=NNc2nc3ccccc3s2)c1 254615826 LGXZVSDMYLPCEX-UHFFFAOYSA-N 298.327 3.651 30 20 CHED C=CCCCCN[C@@H]1Cc2[nH]c3ccccc3c2C1 442836787 IMSKONYVZPOKCY-ZDUSSCGKSA-N 254.377 3.581 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@H](C)c1ccco1 528181598 YZFWQIIQXFPDIB-LBPRGKRZSA-N 298.342 3.682 30 20 CHED CC(=O)Nc1ccccc1N[C@H](C)c1cccc(C#N)c1 600857195 WKIXDYOBATZWIW-GFCCVEGCSA-N 279.343 3.690 30 20 CHED C=CCOc1ccc(CC(=O)N(C2CC2)[C@@H](C)C2CC2)cc1 448686085 FQKQAPOZAGYXBE-AWEZNQCLSA-N 299.414 3.583 30 20 CHED C=CCOc1ccc(C(=O)N2CCCC[C@H]2C(C)C)cc1 604961618 RWVIDJXWRATTSW-KRWDZBQOSA-N 287.403 3.902 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)c1ccc(Cl)s1 531402159 DNQVXJJLVZFAAR-JTQLQIEISA-N 284.812 3.656 30 20 CHED Cc1ccc(CCC2CCN(CC3(C#N)CC3)CC2)cc1 538360607 SCDLFJWEARFMJI-UHFFFAOYSA-N 282.431 3.943 30 20 CHED COc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1C#N 534879096 AJNLYEQBFJWDTL-UHFFFAOYSA-N 277.327 3.727 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 358062437 HWCVSWCOSRHGLT-ZDUSSCGKSA-N 291.354 3.743 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCC13CCC(CC1)C3)CC2 353261475 GYWBXDRPXSBNCC-LKGZKJKYSA-N 266.388 3.715 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H](C)CC1(C)C)c1ccccc1 534654711 KXWNHTXDQVVQNA-CABCVRRESA-N 271.404 3.993 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 617784253 PUPHGRRERBKIOC-CRAIPNDOSA-N 299.414 3.505 30 20 CHED COc1ccnc2c(NCc3ccc(C#N)cc3)cccc12 536608398 DJUVHBIQTZMFCA-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCCC[C@H](CC)CC(=O)N1CCC[C@@](C)(C#N)C1 612371403 LFPWLEDGEUOOKA-HOCLYGCPSA-N 264.413 3.745 30 20 CHED C=CCC1(C(=O)NCCCOC(C)(C)C)CCCCC1 618332939 KWVRAEZVDFUWOK-UHFFFAOYSA-N 281.440 3.834 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2c1OCC[C@H]2OC 351993152 HLJAHRNQDYZBPE-CQSZACIVSA-N 289.375 3.697 30 20 CHED Cc1cccc2c(=NC[C@@H]3CC=CCC3)c(C#N)c[nH]c12 610274329 RTHBDIVIJGHMQJ-CQSZACIVSA-N 277.371 3.605 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 610280473 RADOQYBFHPHUMM-DLBZAZTESA-N 293.326 3.609 30 20 CHED COc1cc(C#N)ccc1OCCCc1ccccc1C 440213487 HYONJMHNWJBVRR-UHFFFAOYSA-N 281.355 3.887 30 20 CHED Cc1cc(CNC[C@H](C)Oc2cccc(F)c2)ccc1C#N 444002261 NDFBVEUUXSLEFU-AWEZNQCLSA-N 298.361 3.563 30 20 CHED C[C@H](SCCOC[C@H]1CCCO1)c1ccc(C#N)cc1 610315491 WOHMKMJEJAJVGO-XJKSGUPXSA-N 291.416 3.548 30 20 CHED N#Cc1nc(N2CCC[C@@H]2c2ccccc2)ccc1Cl 267241033 RTSLKXMGABHREC-OAHLLOKOSA-N 283.762 3.948 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)NCC(C)(C)CC#N)C1CC1 459262972 WKVFVQKBKCLEEA-CHWSQXEVSA-N 279.428 3.535 30 20 CHED CCC(CC)N(CC(C)C)C(=O)NCC(C)(C)CC#N 459262587 VCRJHCOGOZNLMZ-UHFFFAOYSA-N 281.444 3.782 30 20 CHED C=CCC1(C(=O)N[C@H](CC)C(F)F)CCCCC1 452265602 PSWWADUJYCRJAU-LLVKDONJSA-N 259.340 3.673 30 20 CHED N#C[C@]1(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC12CCCC2 459869088 BHNNSQXJZCDBDO-MPGHIAIKSA-N 286.419 3.642 30 20 CHED CCC[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C1CCC1 458329248 LLWOITWEWCBABA-DYVFJYSZSA-N 284.403 3.747 30 20 CHED CO[C@]1(C)C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1(C)C 611393583 IGOVUINCQZQWMZ-YQVWRLOYSA-N 298.430 3.729 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC(C)C)c1cccs1 539295205 LSFQUNORUKWKPB-KGLIPLIRSA-N 267.438 3.610 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc2c(cn1)CCC2 455671211 LGCNELJVKNMXIP-UHFFFAOYSA-N 287.407 3.780 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@@H](c2ccco2)C1)c1ccccc1 364481703 JAUSXPGPIGWJTG-IAGOWNOFSA-N 295.382 3.955 30 20 CHED Cc1ccccc1[C@@H](NCC1(CC#N)CC1)C1CC1 619535247 LANYMGBPRUWGMK-INIZCTEOSA-N 254.377 3.730 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC[C@@H](C)c1ccccc1 275382812 BPBOTNMOJRUYCE-CRAIPNDOSA-N 289.419 3.525 30 20 CHED C=CCN(C)C(=O)CCCc1cccc(C(F)(F)F)c1 274979455 BMYFXRCCLCEKEI-UHFFFAOYSA-N 285.309 3.673 30 20 CHED C=CCN(C(=O)c1ccc2sccc2c1)[C@H](C)COC 617580212 SLEAVEGNAIASMZ-GFCCVEGCSA-N 289.400 3.564 30 20 CHED C=CCC1(NC(=O)COC(C)(C)CC)CCCCC1 457863703 FAVNQDVPIDTGQB-UHFFFAOYSA-N 267.413 3.587 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CC)C1 549634042 HOQYWDLGJUEMER-GJZGRUSLSA-N 290.455 3.994 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](CCC)C(C)(C)C)OCC 452664914 VZROXKRWDMNBRN-UONOGXRCSA-N 269.429 3.689 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC1CCC1)c1ccccc1 450466190 HYYQFPYHENBXFY-SQNIBIBYSA-N 299.414 3.625 30 20 CHED Cc1cc(F)ccc1-c1ccc(CNCCCC#N)o1 273052984 KUTNNZZAQQBJOS-UHFFFAOYSA-N 272.323 3.788 30 20 CHED COC(=O)c1cccnc1SCCCCC(C)(C)C#N 277820323 XVRFMFBPOBCZLE-UHFFFAOYSA-N 292.404 3.680 30 20 CHED Cc1ccc2c(C(=O)N[C@](C)(C#N)C(C)C)csc2c1 279978187 KJLDCLZVXXPVQM-MRXNPFEDSA-N 286.400 3.878 30 20 CHED C=C(C)[C@@H](Cc1nc(C2CCCCC2)no1)OCC 270015803 HEVAAISIWINOOX-CYBMUJFWSA-N 264.369 3.641 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(SC)c(OC)c1 271437268 CXKYJFRPFPUCPD-JTQLQIEISA-N 271.813 3.820 30 20 CHED C=CCC1(CNC(=O)c2oc(C)cc2C)CCCC1 456484487 JPORBDQHEDVGFR-UHFFFAOYSA-N 261.365 3.763 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cccc(C)c2F)no1 278918272 CTHBSYYYLBVFOT-NSHDSACASA-N 276.311 3.838 30 20 CHED C=CCC1(C(=O)N2CCC[C@@]3(CCSC3)C2)CCCC1 456848799 UYLNJBCADDFHLX-MRXNPFEDSA-N 293.476 3.869 30 20 CHED CC[C@H]1CCc2nc(NC(=O)CC(C)(C)C#N)sc2C1 278277458 PRMHIQJCPZSVFD-JTQLQIEISA-N 291.420 3.536 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 378222792 IDTSGBYLPGMYTA-HZPDHXFCSA-N 281.440 3.622 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(C#N)c1 463484424 REJUJMIBEYPMRS-VIFPVBQESA-N 287.241 3.609 30 20 CHED C=CCCCCNCc1cnc(-c2ccco2)s1 278728579 LONZSLPZRDOEBI-UHFFFAOYSA-N 262.378 3.849 30 20 CHED N#Cc1cc(C(=O)NC2CCCCCC2)ccc1Cl 544401362 BICBGZWFSURXJU-UHFFFAOYSA-N 276.767 3.664 30 20 CHED Cc1ccc2nc(CNc3c(Cl)cccc3C#N)cn2c1 462794050 XZPALUWHVOGLHX-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccc(C)o1 548420628 POVIEHONCJHXTP-UHFFFAOYSA-N 283.371 3.735 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC1CC(C)(C)C1 548373924 XXJQJIVWSIZSCQ-UHFFFAOYSA-N 286.419 3.820 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CC1(c2ccccc2)CC1 467887645 GERADOLPHIPYJC-KRWDZBQOSA-N 271.404 3.779 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 466527431 FFHDDELRIDTTJZ-SRVKXCTJSA-N 277.330 3.826 30 20 CHED N#Cc1ccc2nc(N3CCCc4occc4C3)ccc2c1 377163032 XJIVQZLZBHQNAI-UHFFFAOYSA-N 289.338 3.652 30 20 CHED CC[C@H](C(=O)N[C@@H](C#N)C(C)C)C1CCC(C)CC1 463840776 BALDKNZYXAMVCX-WUCCLRPBSA-N 264.413 3.503 30 20 CHED C=CCCCCCN(C)S(=O)(=O)c1cccc(F)c1C 462356771 RFZBCHXXJOXXCZ-UHFFFAOYSA-N 299.411 3.501 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cc2ccccc2s1 286300674 XMKYGDSIJKFGBH-OAHLLOKOSA-N 273.357 3.884 30 20 CHED C=CCC[C@H](N[C@H]1CCN(C2CCCC2)C1)c1ccco1 552045792 PBWVELAZOVMXBQ-RDJZCZTQSA-N 288.435 3.893 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCC(=O)c2ccccc21 287287614 YVUOZEGLDOFESG-KRWDZBQOSA-N 299.414 3.999 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@H]1C 554372725 SWRQYIFAQGBVRL-YWDSYVAPSA-N 263.356 3.838 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 286221137 CZAAVTCCNHXEIZ-RDJZCZTQSA-N 269.388 3.790 30 20 CHED C=CCCC(=O)N1C[C@H](C)C[C@H]1c1cccc(OC)c1 374649547 ZWQBGRQQETUWBC-CJNGLKHVSA-N 273.376 3.571 30 20 CHED C=CCC[C@H](NC[C@H]1CCO[C@@H](C)C1)c1ccco1 285901839 CUCVHFHCOXMXNT-KKUMJFAQSA-N 263.381 3.692 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2ccccc2CC#N)[C@H]1c1ccccc1 558190942 SYYSOUHCQRXSCL-VHSSKADRSA-N 290.366 3.741 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 464404754 MTWIOIWDVXPFOC-DVYJOKAKSA-N 297.185 3.720 30 20 CHED Cc1csc(NC(=O)c2cnc(C(C)C)s2)c1C#N 288661289 AQWTULQZXYUHBL-UHFFFAOYSA-N 291.401 3.760 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 467897979 IBVRLPGECCUTFC-SJCJKPOMSA-N 293.357 3.883 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C/C=C\Cc1ccccc1 635866724 KAHFKDOGVUZWRE-JTGQJZMRSA-N 269.388 3.743 30 20 CHED COc1cccc(C[C@@H]2CCCN2CCC(C)(C)C#N)c1 553708784 NBROWCCFCCPADN-INIZCTEOSA-N 286.419 3.642 30 20 CHED C=CCOCCSCc1ccc(OC)c(Cl)c1 558853816 UMVVHPJQHUQSFK-UHFFFAOYSA-N 272.797 3.784 30 20 CHED C=CCCCCCN(C)C(=O)c1nc(-c2ccccc2)no1 631358661 YRCHXZNEDPHDKI-UHFFFAOYSA-N 299.374 3.555 30 20 CHED N#CCCCC(=O)OCc1cc(Cl)ccc1Cl 291005053 CXOAEYWUHRCXTF-UHFFFAOYSA-N 272.131 3.730 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[C@H](C)C1 476744006 WEVVAMVTPTWJRW-SWLSCSKDSA-N 285.391 3.815 30 20 CHED CC(=NN[C@H]1CCSC1)[C@H](C)c1ccc(Cl)cc1 807998756 ANXUFXUUFAJWJV-HZMBPMFUSA-N 282.840 3.915 30 20 CHED C[C@H](C#N)OCCN[C@H](c1ccc(Cl)cc1)C1CCC1 801937074 CYAUWJWVVSXORT-WBMJQRKESA-N 292.810 3.699 30 20 CHED Cc1sccc1C(=O)N[C@H](CCC#N)c1ccccc1 295493826 QHZBIYMLKMELFG-OAHLLOKOSA-N 284.384 3.831 30 20 CHED C=CCC1(C(=O)NC[C@H](C)c2ccc(F)cc2)CCC1 479666617 XDZWOHVRZJKHPF-ZDUSSCGKSA-N 275.367 3.792 30 20 CHED CC(C)[C@H](CC(=O)Nc1cccc(C#N)n1)c1ccccc1 567900306 ADAMABFUSJFQAE-INIZCTEOSA-N 293.370 3.722 30 20 CHED C#Cc1ccc(CN2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)cc1 809549507 JGBUHOLLFCSJEU-ZWOKBUDYSA-N 296.458 3.505 30 20 CHED CCC(C)(C)CC[S@@](=O)c1cccc(F)c1C#N 566690269 JZOCRRAGZPNKBV-GOSISDBHSA-N 267.369 3.631 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)CC)c1ccc(Cl)cc1F 804420533 AQENESBCPLOZBX-CYBMUJFWSA-N 281.758 3.706 30 20 CHED C=CCCCCNC(=O)Cc1ccc(C)cc1Cl 471679010 MMYWVIRHQVQUBT-UHFFFAOYSA-N 265.784 3.663 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](C(C)(C)C)C2)cc1 476647958 WOTJTOAZWOZNEZ-INIZCTEOSA-N 298.430 3.996 30 20 CHED N#Cc1ccc(N2CC3(CCC3)[C@@H]2c2ccccc2)nc1 293063974 NDBZKQOJVURKST-KRWDZBQOSA-N 275.355 3.685 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 563608005 KHAYZMWROWXIPW-CVEARBPZSA-N 282.387 3.908 30 20 CHED Oc1ccc(Cl)cc1/C=N/C[C@H]1COc2ccccc21 809144351 LEYAGGAZOWSJTG-MEBUONCMSA-N 287.746 3.641 30 20 CHED COc1cc(C)ccc1NCCCOc1cccc(C#N)c1 477581888 QUGLALBHZNWHKB-UHFFFAOYSA-N 296.370 3.756 30 20 CHED CC1=C(C)C[C@@H](C(=O)N2CCc3c(C#N)cccc32)CC1 565004678 PLFFJVLANNKGJL-AWEZNQCLSA-N 280.371 3.584 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)[C@H](O)c1ccccc1 808721427 MJPZMODUZBPCON-PVAVHDDUSA-N 261.409 3.833 30 20 CHED CCCCO[C@H]1C[C@@H](N(C)CCCSCC#N)C1(C)C 477068234 NXPHYRSPIJDRJW-CABCVRRESA-N 298.496 3.549 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)Cc2ccccc2O1 566762198 YJEPAKUWDKJFQQ-UHFFFAOYSA-N 292.382 3.731 30 20 CHED C[C@@H](C#N)OCCS[C@H]1CCc2c(Cl)cccc21 802753206 XMEIPRRTHZDQOQ-HZMBPMFUSA-N 281.808 3.989 30 20 CHED C=CC(C)(C)CNC(=O)c1cc2cc(F)ccc2o1 562762715 VEMAYAOXMIHRAN-UHFFFAOYSA-N 261.296 3.514 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCCSC1 484238232 ZECYRJIBJALBPY-HNNXBMFYSA-N 296.480 3.660 30 20 CHED C#CCC1(OC(=O)c2cncc(-c3ccccc3)c2)CCC1 810752083 RUSGPABHSDFRNA-UHFFFAOYSA-N 291.350 3.851 30 20 CHED C=CCC1(C(=O)Nc2nc(CCC)co2)CCCC1 563547704 XSCYCINPFCPUAA-UHFFFAOYSA-N 262.353 3.702 30 20 CHED C#CCCc1noc(-c2ccc(C3CCCC3)cc2)n1 810289393 AGWJYWZEMOEXNJ-UHFFFAOYSA-N 266.344 3.960 30 20 CHED C=CC[C@H](C)NCc1cccc(Cl)c1OCC 487279825 PDQPDCHKFZIAFN-NSHDSACASA-N 253.773 3.793 30 20 CHED CC(=NNc1ccc(F)cc1)[C@@H](C)NC(=O)OC(C)(C)C 811630261 WPNUDUFCYUDMPD-SNVBAGLBSA-N 295.358 3.527 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1ccc(Cl)cc1 814683936 WSRRETIHIFFIRE-UHFFFAOYSA-N 280.755 3.773 30 20 CHED C=CCC(F)(F)C(=O)NCC1(c2ccccc2)CCCC1 814845045 SKNLHDOORPECDL-UHFFFAOYSA-N 293.357 3.826 30 20 CHED Fc1cccc(F)c1NN=Cc1ncc(Cl)s1 814852742 MZIYMBLRFMPTJC-UHFFFAOYSA-N 273.695 3.521 30 20 CHED C=C(C)CCNC(=O)CCCCCc1ccc(O)cc1 650930218 TUUZEMLFSKIMST-UHFFFAOYSA-N 275.392 3.578 30 20 CHED Cc1csc(NC(=O)N2CC(C)(C)[C@@H]2C(C)C)c1C#N 577742608 AEOIGYFMTDACCH-LBPRGKRZSA-N 291.420 3.827 30 20 CHED N#CCC[C@H](C#N)CN[C@H]1CCC[C@H](c2ccccc2)C1 578193260 WAAXPJGPJPJKHM-NJAFHUGGSA-N 281.403 3.746 30 20 CHED CC1=C(C)C[C@H](C(=O)N2CCc3ccc(C#N)cc32)CC1 570398736 INUMDVBQSDAVBU-MRXNPFEDSA-N 280.371 3.584 30 20 CHED C=CCC(C)(C)C(=O)NCC1(c2ccccc2F)CCC1 650171677 MIPLEEDCRIXMGW-UHFFFAOYSA-N 289.394 3.966 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F 489088276 BBNUPPLOAQXSPK-UTUOFQBUSA-N 292.345 3.714 30 20 CHED C#Cc1cccc(NC(=O)Cc2c[nH]c3cc(C)ccc23)c1 726140193 VMJFGMKDFGIRPA-UHFFFAOYSA-N 288.350 3.639 30 20 CHED C[C@H](NN=C1CC[C@@H]2CNc3cccc1c32)C(C)(C)C 814938691 RWPCPTYVGMYKPZ-NWDGAFQWSA-N 271.408 3.718 30 20 CHED C=CCCCCOC(=O)c1nc(Cl)ccc1Cl 811011578 DLMDYBWFPCOTRT-UHFFFAOYSA-N 274.147 3.902 30 20 CHED C=CCC[C@@H](C(=O)N1CCC(C)CC1)c1ccccc1 489533215 XJMRHHRNQJXAHJ-QGZVFWFLSA-N 271.404 3.995 30 20 CHED Cc1cc(F)c(CN2CCC(CCC#N)CC2)c(F)c1 572881744 IZCDOUQNWBUWQC-UHFFFAOYSA-N 278.346 3.789 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(F)cc2)ccc1O 728230688 FLEXIXWMROKGLV-YWEYNIOJSA-N 256.276 3.736 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CC(F)(F)F)C1 823077359 LCQMZWQBTAPWKR-RYUDHWBXSA-N 277.330 3.780 30 20 CHED CC(C)C#CC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 829698434 HXQLNRRFXDLAHQ-UHFFFAOYSA-N 271.360 3.513 30 20 CHED C=CC[C@@H](OC(=O)C[C@H](C)n1cccn1)c1ccccc1 820685188 FGUMVFWCJYGTBP-GOEBONIOSA-N 284.359 3.695 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@H]1c1ccc(F)cc1 661232872 PAHGNJYSVXZDRP-HNNXBMFYSA-N 290.382 3.884 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1ccccc1 726739532 OOVUDXCBTCELAU-UHFFFAOYSA-N 278.315 3.573 30 20 CHED C=CCCCC[C@H](C)NCc1cc(C2CC2)nn1C 824074875 YEYABKYEEDFPQP-ZDUSSCGKSA-N 261.413 3.522 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(C)c1cccc(C#N)c1 584391035 ORDBZBYPMUGUSJ-GDBMZVCRSA-N 270.376 3.737 30 20 CHED C=CCCNC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 661572515 PXITXMFVGDJBPC-UHFFFAOYSA-N 298.386 3.566 30 20 CHED CC1(C#N)CCC(NCCSC(C)(C)C)CC1 823807582 DNBOWQYRAMKVFQ-UHFFFAOYSA-N 254.443 3.580 30 20 CHED Fc1ccc(NN=C2CCc3cccnc3CC2)cc1F 901318523 UWWWOKJHHUFYLU-UHFFFAOYSA-N 287.313 3.707 30 20 CHED C=C(CC)CN(C)[C@H](COC)c1ccc(Cl)cc1 490073192 QKWCGEFCTGMZTO-OAHLLOKOSA-N 267.800 3.926 30 20 CHED C=CCC[C@@H](C(=O)N=[S@](C)(=O)C(C)C)c1ccccc1 906196243 TVTKNVCKCHEVDG-FOIQADDNSA-N 293.432 3.769 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2c(C)ccc(C)c2s1 588345804 MCKKSONIVQQRFY-OAHLLOKOSA-N 287.388 3.792 30 20 CHED N#Cc1cccc(OCCCCC2(C#N)CCC2)c1 901360410 JORGURYSKWZUPQ-UHFFFAOYSA-N 254.333 3.801 30 20 CHED C=CCN(C(=O)Nc1ccc(CC)c(C)c1)[C@@H](C)COC 666515977 VGJYGKPGTRSYJO-AWEZNQCLSA-N 290.407 3.612 30 20 CHED CC1CCC(=CC(=O)OCCOc2ccccc2C#N)CC1 734203041 NHNABEMWHAHNQS-UHFFFAOYSA-N 299.370 3.617 30 20 CHED Cc1csc(-c2ccc(NC(=O)C#CC(C)C)cc2)n1 825288871 VFIDZGUHQIINMP-UHFFFAOYSA-N 284.384 3.716 30 20 CHED C=C(C)CN(CC)c1ccc([N+](=O)[O-])cc1Cl 733185984 AEAWBVZFLCCJFI-UHFFFAOYSA-N 254.717 3.651 30 20 CHED C[C@@](C#N)(NC(=O)/C=C/c1ccsc1)C1CCCCC1 492913651 RDLIPHVYBXWVIM-WAVCKPEOSA-N 288.416 3.740 30 20 CHED CCCc1ccc(C(C)=NNc2cc(C)ncn2)cc1 731935219 QHHGXQWTEDSFIE-UHFFFAOYSA-N 268.364 3.574 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)OCc1ccc(CC#N)cc1 835273187 HTQBWHVTLWWPRJ-HOTGVXAUSA-N 271.360 3.622 30 20 CHED CC1(C)OCC[C@H]1NN=C1C[C@H](c2ccccc2)C1(C)C 835017027 JPSOSKINXWHHPQ-HUUCEWRRSA-N 286.419 3.713 30 20 CHED O=C(/C=C\c1cncs1)c1ccc([N+](=O)[O-])cc1Cl 588421424 ASOINDYBBJJTDL-RQOWECAXSA-N 294.719 3.601 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H]1c1ccc(F)cc1 661121123 ATXAYGFFTXSUGL-LSDHHAIUSA-N 276.355 3.637 30 20 CHED C[C@@H](NN=C1CCC[C@@H](c2cccnc2)C1)C(F)(F)F 834997264 AVLXACBTKGATLF-GHMZBOCLSA-N 285.313 3.636 30 20 CHED CCCCCCCC(=O)NCc1ccc2oc(O)nc2c1 834659806 NNWZVQXOYWUIFB-UHFFFAOYSA-N 290.363 3.510 30 20 CHED Cn1ncc(Cl)c1/C=C\C(=O)c1cccc(Cl)c1 588534788 BSQDSQNJCRULBF-WAYWQWQTSA-N 281.142 3.623 30 20 CHED C=CCCc1ccccc1NC(=O)c1ocnc1C1CC1 581453030 UUMNFPBTVAKZQH-UHFFFAOYSA-N 282.343 3.923 30 20 CHED C#Cc1ccc([C@@H](OC(=O)CC(C)C)C(F)(F)F)cc1 836080382 IQQXSPGAQLDXFF-CQSZACIVSA-N 284.277 3.861 30 20 CHED C=CC(C)(C)COC(=O)c1ccc(OC(C)(C)C)cn1 835721428 JOLBIMIDNIZEJV-UHFFFAOYSA-N 277.364 3.628 30 20 CHED C[C@@]1(CN[C@@H]2CCc3ccc(C#N)cc32)CC1(Cl)Cl 834885755 XTVOFAFDEPEYTO-KGLIPLIRSA-N 295.213 3.719 30 20 CHED CCN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 732921865 IDINDQNPPJYFEJ-KRWDZBQOSA-N 293.370 3.826 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1csc(-c2ccccc2)n1 588079637 PVDOPHWVEUJIND-HNNXBMFYSA-N 285.372 3.688 30 20 CHED CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)CCCCCC#N 588651564 UTWWWGQLEVFQOM-GJZGRUSLSA-N 294.439 3.513 30 20 CHED C=CC[C@@H](NC(=O)O[C@H](C)CC(C)C)c1ccncc1 830536038 ZIOHYRADRXCNMT-UKRRQHHQSA-N 276.380 3.860 30 20 CHED COC[C@@H](C)[C@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839434360 BZONPJKAPSGWTQ-OLZOCXBDSA-N 296.370 3.569 30 20 CHED C=C[C@H](CC(=O)Oc1ccc(C(=O)O)cc1)c1ccccc1 833371389 OPADZXLMKQNVJP-CYBMUJFWSA-N 296.322 3.650 30 20 CHED Cc1c(C(=O)/C=C\c2ccccc2F)c(C#N)c2n1CCC2 730085627 RCWXQZCCVYUVSU-HJWRWDBZSA-N 294.329 3.650 30 20 CHED CC[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(F)(F)F 835655972 DJRAEWYYIQYUIT-QWHCGFSZSA-N 299.292 3.958 30 20 CHED Cc1nc(C#N)c(NN=Cc2ccc(Cl)c(Cl)c2)o1 917555079 KEPFGMCHSRRNFL-UHFFFAOYSA-N 295.129 3.608 30 20 CHED C#CCCCCNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 836759487 QGUQWQXVKIEEOV-LBPRGKRZSA-N 297.320 3.886 30 20 CHED CCC(=NNc1nc2ccccc2n1C)C1CCC1 834940308 JRAVLBKWPKNSKP-UHFFFAOYSA-N 256.353 3.551 30 20 CHED CC(C)SCC(=O)[C@H](C#N)c1ccc2ccccc2n1 916848985 QQECHAAHJXVHFU-CYBMUJFWSA-N 284.384 3.553 30 20 CHED CCc1nc(C(C)C)ccc1CN1CCC[C@H](CC#N)C1 595622479 BGLIUTWBYOHQOJ-OAHLLOKOSA-N 285.435 3.893 30 20 CHED N#CC[C@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 597174411 PZJGPJOVVSNJNW-GFCCVEGCSA-N 272.323 3.698 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1c(C)cccc1Cl 835011780 TXQZRFBQKRDTKN-LBPRGKRZSA-N 266.772 3.863 30 20 CHED C=CCCCOC(=O)c1ccc(OCc2cccnc2)cc1 746954437 NYUAJMXWHAPNQB-UHFFFAOYSA-N 297.354 3.784 30 20 CHED C=C1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 594733956 CFDXTDAYTAIYMW-CYBMUJFWSA-N 292.810 3.627 30 20 CHED CCOc1cccc(C=Nc2cccc(F)c2C)c1O 745976065 FHINLPQTFSDRDL-UHFFFAOYSA-N 273.307 3.989 30 20 CHED CC(C)O[C@H](CN1CCC[C@@H](CC#N)C1)c1ccccc1 595622817 DOSMCFAMIOCMTB-FUHWJXTLSA-N 286.419 3.778 30 20 CHED C[C@@H](NC(=O)/C=C\c1ccccc1F)c1cccc(C#N)c1 743777474 VYIWUDBHUVBCNF-ASCRHOAZSA-N 294.329 3.588 30 20 CHED N#C[C@H](c1ccccc1)N1CCC(Cc2cccnc2)CC1 595406926 CXYJQJAAAJJJBV-LJQANCHMSA-N 291.398 3.601 30 20 CHED C/C=C/C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 915859994 BKQDLOZNNHOTGZ-HWKANZROSA-N 293.326 3.569 30 20 CHED CCCCCCCCCNC(=O)Cc1ccc(C#N)cc1 749848915 ZKMXQKMQJZNXIU-UHFFFAOYSA-N 286.419 3.968 30 20 CHED Cc1ccc(CN(C2CC2)[C@@H](C)C#N)c(Br)c1 595709071 CLMUUPJHQCKPDU-NSHDSACASA-N 293.208 3.634 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@@H](c2cccc(F)c2)C1 595300089 MJSAFBDTBHLOPN-SJLPKXTDSA-N 280.346 3.880 30 20 CHED Fc1cccc2c1CC[C@@H]2NN=C1CCC(F)(F)CC1 842535960 KYOPRJDLEQJTGF-AWEZNQCLSA-N 282.309 3.968 30 20 CHED CCC(=NNc1ncccc1C(F)(F)F)[C@H]1C[C@@H]1C 841617583 IYPLGIPHWWHVGW-IUCAKERBSA-N 271.286 3.934 30 20 CHED CCc1cc(NN=C(C)C2CCC2)nc(-c2ccccn2)n1 747631659 SMIRTOBUOOJDGP-UHFFFAOYSA-N 295.390 3.689 30 20 CHED Cc1cnc([C@@H](C)/N=C\c2cc(Cl)ccc2O)s1 749931710 VFMMIGFHLPGGNQ-KIKKFWRUSA-N 280.780 3.991 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1ccccn1 917535587 CQMNEPPCEFOXHG-UHFFFAOYSA-N 257.312 3.641 30 20 CHED FC1(F)CCC(=NNc2cc(Cl)ccn2)CC1 842530180 HKWKDGBUGQIUGY-UHFFFAOYSA-N 259.687 3.712 30 20 CHED CCCCNN=C(C)c1sc(C(C)(C)C)nc1C 915966449 SAWFJTXEFHRVIP-UHFFFAOYSA-N 267.442 3.863 30 20 CHED C[C@H](CO)N(C)N=C1CCCCCCCCCCC1 842545436 UBFPFWGNWORASF-OAHLLOKOSA-N 268.445 3.960 30 20 CHED CCC(CC)(C(=O)OCC1(CC#N)CC1)c1ccccc1 744277586 URCIMMUWPAGWID-UHFFFAOYSA-N 285.387 3.981 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 597351043 NTNBNALWTQOZHE-BBWFWOEESA-N 298.430 3.700 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C 916046980 DSNAERKJDUTNHJ-VXGBXAGGSA-N 277.330 3.778 30 20 CHED C=C(C)COC(=O)C(C)(C)c1ccc(Br)cc1 915585377 WMNRKTXRRGHYJD-UHFFFAOYSA-N 297.192 3.846 30 20 CHED CCCCCCCCNC(=N)NCc1cc(CC)ccn1 849105770 ZJGMGNDNLTZMBI-UHFFFAOYSA-N 290.455 3.618 30 20 CHED CCC[C@@H](NCCc1ccc(C#N)cc1)c1ccccn1 595055388 CDQIGDDTGUGYQO-QGZVFWFLSA-N 279.387 3.627 30 20 CHED COc1cccc(C=NNc2cc(C)cc(C)c2)c1OC 916346755 SKLPXYFMOXVMIB-UHFFFAOYSA-N 284.359 3.767 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N[C@@H](C#N)CC(C)C 591759406 MPCQXEJYYFUYJY-DOTOQJQBSA-N 286.419 3.618 30 20 CHED Cc1c(F)cccc1NCCCOc1ccc(C#N)cc1 745994975 YJZFQKCKQMEOOB-UHFFFAOYSA-N 284.334 3.887 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(C)CCC(F)(F)CC1 684929429 ZZHOVXUUZGIGHJ-LLVKDONJSA-N 274.355 3.608 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC(C)C)cc1 684939508 PXNPQMMHGUOMIT-CQSZACIVSA-N 261.365 3.558 30 20 CHED CCCC(C)(C)C(=O)OC[C@H](C#N)Cc1ccccc1 845485091 VPBUARIZPCOVKE-HNNXBMFYSA-N 273.376 3.738 30 20 CHED O=C1/C(=C\c2ccnn2CC2CC2)CCc2cc(F)ccc21 849244481 CFBKBZACDKCKQC-UVTDQMKNSA-N 296.345 3.645 30 20 CHED C#C[C@@](C)(CC)NCc1ncc(-c2cccc(Cl)c2)o1 852098756 VEXNGODDYKYROX-INIZCTEOSA-N 288.778 3.887 30 20 CHED C=CCOCCN[C@@H](c1ccc(CC)cc1)c1cccnc1 926116692 SUNWJVGWAICTLG-IBGZPJMESA-N 296.414 3.526 30 20 CHED C=CC(C)(C)CCOC(=O)c1cc2ccccc2nc1O 851298810 OEYXHHDBJWFOQO-UHFFFAOYSA-N 285.343 3.700 30 20 CHED CC(C)(C)c1ncc(C=NNc2ncccc2Cl)s1 920374969 NPEQAGAVVQTZPX-UHFFFAOYSA-N 294.811 3.935 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1ccccc1 851206084 LOWMJFFKZHKLIM-CHWSQXEVSA-N 259.349 3.662 30 20 CHED C=CCC[C@@H](C)Nc1ccc2c(C(=O)O)c[nH]c2c1 859820009 PABPHTVUSZFKKB-SNVBAGLBSA-N 258.321 3.633 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@H]1CCO[C@H](CC)C1 851300486 URFQKCHYAJHJDI-UONOGXRCSA-N 268.397 3.727 30 20 CHED COC1CCC(CCNc2snc(Cl)c2C#N)CC1 754096585 FWHJYJOLBZPGHS-UHFFFAOYSA-N 299.827 3.675 30 20 CHED C=CCCOCC(=O)O[C@@H](CC)c1ccc(Cl)cc1 920839446 AXRRUNFAQJUQJQ-AWEZNQCLSA-N 282.767 3.927 30 20 CHED CN(C)Cc1ccc(CN(C)CCCC(C)(C)C#N)cc1 859213890 BUAZRVNLVVDVHJ-UHFFFAOYSA-N 287.451 3.510 30 20 CHED CC(=NN=C1CCC(C2CCC2)CC1)c1cnccn1 853315281 QUMDFKATRRKLSE-UHFFFAOYSA-N 270.380 3.632 30 20 CHED C#C[C@H](CC)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 754373809 FWZIYCMXCSKNOV-ZIAGYGMSSA-N 297.320 3.727 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCOC2(CCC2)C1 754865524 ONNINSXJJKHKFW-OAHLLOKOSA-N 296.455 3.748 30 20 CHED C=C[C@@H](OC(=O)c1cc(C(C)C)on1)c1ccccc1 857658621 KWKMOXDCUIRATI-CQSZACIVSA-N 271.316 3.882 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2CCC3(CC2)CC3)n1 850735941 FPXHDCWSFYUPFQ-GFCCVEGCSA-N 274.389 3.598 30 20 CHED C=CCC[C@H](NCc1ccc(N(C)C(C)=O)cc1)C1CC1 858496940 WNETYAFXRADSBP-SFHVURJKSA-N 286.419 3.504 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C1\CC[C@@H](C)C1 753608380 KCGGMILQDRTILB-RGHBXIHOSA-N 276.424 3.911 30 20 CHED C=CCNC(=S)N(C)[C@@H](C)c1sc(C(C)C)nc1C 755390624 PRZUSYYNYPOKNP-NSHDSACASA-N 297.493 3.628 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(SC(F)F)cc1 757177003 GZFDTQIKFAJVIM-MRVPVSSYSA-N 272.320 3.697 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 767257943 NHJHBPINNBQROA-MVWJERBFSA-N 296.197 3.577 30 20 CHED COc1nccnc1NN=C/C=C(\C)CCC=C(C)C 763422154 OWRWIMYTFPKPHL-VVMABDMOSA-N 274.368 3.576 30 20 CHED N#Cc1cc(F)cc(NCc2ccc(CF)cc2)c1 864033031 LCHDTMGCGMBLMH-UHFFFAOYSA-N 258.271 3.779 30 20 CHED Cc1cccc(C2=CCN(C[C@H](C#N)CCC#N)CC2)c1C 934845944 HGDVHOZETPYHPS-KRWDZBQOSA-N 293.414 3.836 30 20 CHED CC(=NNc1ccccc1F)c1nc2c(s1)CCCC2 761250869 AJKBNOVLRDCHRX-UHFFFAOYSA-N 289.379 3.997 30 20 CHED CCCCCCCOc1ccc(CN2CC[C@@H](O)C2)cc1 768237312 ODCMHMYEOMIRKD-QGZVFWFLSA-N 291.435 3.602 30 20 CHED CC(C)CN(Cc1ccccn1)Cc1cc(F)ccc1C#N 932446490 QVRBEPQCKDNMNL-UHFFFAOYSA-N 297.377 3.751 30 20 CHED C=CC[C@@H](C(=O)OCC(C)(F)F)c1ccccc1 861222805 CKWHGLZUAPQDJM-GFCCVEGCSA-N 254.276 3.545 30 20 CHED CCCC[C@H](CC)CON=C1CCN(C(=O)C(C)C)CC1 760552778 QCHWPIQBWFXOLZ-HNNXBMFYSA-N 296.455 3.854 30 20 CHED C=C1CCN(C(=O)Nc2cc(C)nn2CCCCC)CC1 930262506 CARBSWOXRCFTOB-UHFFFAOYSA-N 290.411 3.566 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1SCC 767252616 HHKNUVZGZQTPKY-SNVBAGLBSA-N 281.808 3.546 30 20 CHED CC(=O)Nc1ccc(NCc2ccc(C#N)c(C)c2)cc1C 767683709 ZOKXZPNJRQZKCJ-UHFFFAOYSA-N 293.370 3.746 30 20 CHED CCCCCCCCC(=O)N1CCO[C@H](CCC)C1 760096521 LBOWYQDWHZCQOD-OAHLLOKOSA-N 269.429 3.765 30 20 CHED Cn1nccc1C(=O)/C=C\c1c(Cl)oc2ccccc12 766038997 XKYCBOQBAWCJOD-SREVYHEPSA-N 286.718 3.716 30 20 CHED Cc1n[nH]c(C)c1/C=C1/CCc2ccc(Cl)cc2C1=O 761205262 JANCTLGYEXOYLL-GHXNOFRVSA-N 286.762 3.892 30 20 CHED CC(C)C1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 769495353 FDMRZFDJTXUQBU-UHFFFAOYSA-N 299.462 3.904 30 20 CHED Cc1cc(C=NNc2cnnc3ccccc23)c(C)s1 760259227 SADVNNNLKBWVDB-UHFFFAOYSA-N 282.372 3.754 30 20 CHED CC(=NOCC1CC1)c1nc2ccccc2n1C(F)F 763172073 USSLBDUPWJKDGO-UHFFFAOYSA-N 279.290 3.582 30 20 CHED C[C@H](Cc1ccccc1Cl)N[C@@H]1CCC[C@@H](C#N)C1 765927834 JNNZRBRBIRJGSE-UMVBOHGHSA-N 276.811 3.943 30 20 CHED CC(C)O[C@@H]1CC(=NNc2ccc([N+](=O)[O-])cc2)C1(C)C 764892065 RPYNEJZWUGKDFJ-CQSZACIVSA-N 291.351 3.586 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cnn(C(C)C)c1)c1ccncc1 766022444 VZNXBLCWXQWCIT-WMLDXEAASA-N 284.407 3.827 30 20 CHED N#CC1CCN(Cc2ccc3ccc(Cl)cc3n2)CC1 878016696 SBEIULZTKYMCBE-UHFFFAOYSA-N 285.778 3.624 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cc(F)cc(F)c1 777906175 GESKBZJLMSCYJC-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C[C@@H](Oc1ccccc1Cl)C(=O)OCCC(C)(C)C#N 776372533 NRFSVLMBYHBOPI-LLVKDONJSA-N 295.766 3.590 30 20 CHED CC(C)c1nccnc1NN=Cc1cccc2[nH]ccc12 773077660 HXBUXGKEKFUPOO-UHFFFAOYSA-N 279.347 3.527 30 20 CHED CC(C)c1ncc(C=NOC2CCCCC2)s1 777457475 VPVZIPQDCHCTRK-UHFFFAOYSA-N 252.383 3.950 30 20 CHED CCC[C@@H](C(=O)OCc1ccc(CC#N)cc1)C(C)C 776112732 LCQQXXOEZSJWNF-MRXNPFEDSA-N 273.376 3.868 30 20 CHED Cc1ccc(C=NNc2cc(Cl)ccn2)s1 777906238 GZINEFMOQRMKFF-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CCc1c(C(C)=NNc2ccn(C)n2)oc2ccccc12 1116744472 QIJAYJFGKHGFIY-UHFFFAOYSA-N 282.347 3.565 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc(Cl)cc1 773161226 QKRKXUHWIYTLBG-VGOFMYFVSA-N 280.714 3.704 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)/C=C/C=C\C)cc1 774576094 QQNFDETYVBFPRR-AACIIYHXSA-N 299.370 3.767 30 20 CHED CCCC(CC)=NNc1cncc(Br)c1 776188131 VSYXLVXRJSAEKU-UHFFFAOYSA-N 270.174 3.822 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)c1 777915371 LBNHVLPDCGNCBH-FNORWQNLSA-N 296.257 3.502 30 20 CHED CC[C@@H](C#N)NC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1116683109 RLMMZRWEYZCUOW-INIZCTEOSA-N 284.403 3.650 30 20 CHED N#CCc1cccc(NCc2cc3ccccc3s2)n1 771756712 JNJUFESBAVYRRH-UHFFFAOYSA-N 279.368 3.974 30 20 CHED C=C(Cl)CN1CCC(CCN(CC)CC2CC2)CC1 771476321 YNNPSGIWYQYHLI-UHFFFAOYSA-N 284.875 3.573 30 20 CHED CCOCCON=C(C)c1ccc(OC(C)(C)C)cc1 774423305 TWQQNHAUQAZEBU-UHFFFAOYSA-N 279.380 3.641 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2ccc(OC)cc2)cc1 776783187 ZNBIFNZVKLLSHL-CQSZACIVSA-N 281.355 3.880 30 20 CHED COc1ccc(/C=C/C(=O)Nc2cccc(C#N)c2C)cc1 770240554 RVMCXVKWZVHDRR-DHZHZOJOSA-N 292.338 3.527 30 20 CHED C#CCOc1ccccc1NCc1ccc(C)cc1 775363226 XUSVHAJVFDUPJV-UHFFFAOYSA-N 251.329 3.619 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2ccccc2OCC#N)CCC[C@H]1C 779273476 HKKKUKSYXRPCRE-IPYPFGDCSA-N 287.359 3.570 30 20 CHED Fc1cc(Cl)cc(C=NNc2ccc3[nH]ncc3c2)c1 776734550 SHGBQDWAIGQXST-UHFFFAOYSA-N 288.713 3.801 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cccc(Cl)c1Cl 1121252881 IICXAPJHEUYEEU-VIFPVBQESA-N 285.174 3.758 30 20 CHED C[C@H](C=NNc1ccnc(F)c1)c1ccc(F)cc1 781125126 QRBLLIZTTDGOPZ-SNVBAGLBSA-N 261.275 3.561 30 20 CHED Fc1ccccc1NC(=S)NN=C1CCC12CCCC2 788698403 DMYFWRZPTYOPGC-UHFFFAOYSA-N 291.395 3.822 30 20 CHED CC(=NNc1ccnc(F)c1)c1cc2ccccc2o1 781129040 BEIKUKWKFAKDCG-UHFFFAOYSA-N 269.279 3.803 30 20 CHED CC1(N2CCCC2)CCC(=NNC2CCCCC2)CC1 884453039 DZHKEGDCLWWBOS-UHFFFAOYSA-N 277.456 3.693 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=S)Nc1ccsc1 782451155 LVWBFBIKBHPJKY-CQSZACIVSA-N 299.424 3.594 30 20 CHED CC1(C)CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 781749645 FPBGILSKCBWWIK-RYUDHWBXSA-N 281.359 3.565 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ncccc1C(F)(F)F 782286159 DFAYKCLKZLBIFJ-LBPRGKRZSA-N 285.313 3.603 30 20 CHED CC(C)C(=O)N1/C(=N/Cc2ccccc2)SCC1(C)C 892128418 LCQSLAHFULEQAW-ICFOKQHNSA-N 290.432 3.553 30 20 CHED Cc1ncccc1/C=C/C(=O)c1ccc(C#N)cc1Cl 788360429 KGPBINZNCRXCMM-FNORWQNLSA-N 282.730 3.811 30 20 CHED Fc1cccc(C2CC(=NO[C@@H]3CCCCO3)C2)c1 781597827 YZPVHEOMNIWJIW-WPZCJLIBSA-N 263.312 3.602 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](F)C(C)C 784111876 JQXDKMZNWOUXSP-CQSZACIVSA-N 255.377 3.575 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1ccc(-c2n[nH]c(C)n2)cc1 786524555 OYPZUGUQWZPCSX-KRWDZBQOSA-N 299.374 3.539 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1ccccc1Cl 780253144 PNUXVUIDUAGRIT-LBPRGKRZSA-N 280.799 3.611 30 20 CHED CC1(C)CCC1=NNc1ncc(Cl)cc1Cl 788967298 QCIZAVYFLBJQOW-UHFFFAOYSA-N 258.152 3.976 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cnn(C)c1-c1ccccc1 894446734 SBPPQGRHHLLEQY-CYBMUJFWSA-N 282.391 3.827 30 20 CHED Cc1cc(C=NN[C@@H]2CCOC(C)(C)C2)ccc1Cl 780247895 VKJZAJNDXWPARX-CYBMUJFWSA-N 280.799 3.530 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@@H](C)CCCCCC)CC1 899588992 FLASVSSSGLAQNL-INIZCTEOSA-N 295.467 3.913 30 20 CHED C=CCC[C@@H](CC)NC[C@H](O)c1ccc(CC)cc1 797024555 BILNUQTYXIQBEV-SJORKVTESA-N 261.409 3.617 30 20 CHED CCN(Cc1cccc(Oc2ccccn2)c1)C[C@H](C)C#N 891716607 ULGASNJDQNSDMJ-OAHLLOKOSA-N 295.386 3.855 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/[C@H]2C[C@H](c3ccccc3)C2)c1 797785132 UTPWEZVLFMTYIL-ZKJMASMISA-N 296.326 3.666 30 20 CHED C#CCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 796281034 HUPHHAIXMNSZQO-KZNAEPCWSA-N 253.389 3.668 30 20 CHED C=C(Cl)CNC(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 799432272 LTSSSSXNLJLSQY-VIFPVBQESA-N 299.827 3.532 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2ncncc2F)cc1 793211078 RVCMFSZTUMCHJZ-CYBMUJFWSA-N 284.338 3.660 30 20 CHED C=C(C)COC(=O)c1cccc(C(=O)Nc2ccccc2)c1 796820176 WJWJWWRSHOMURI-UHFFFAOYSA-N 295.338 3.672 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC)[C@@H](CC)c1ccccc1 791063622 BQQMEKYXXSWGKN-IRXDYDNUSA-N 286.419 3.971 30 20 CHED CCc1cccc(C)c1NN=C(C)c1ccccn1 799494546 JNISOLNUOHDPHK-UHFFFAOYSA-N 253.349 3.789 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C(\C)c1ccccc1OC 798554351 OPVCHMUXFUSOSM-XTZCOPOCSA-N 273.376 3.569 30 20 CHED Fc1cccnc1NN=Cc1cccc(-c2ccccn2)c1 794980039 DXGXXNRLNWPSEJ-UHFFFAOYSA-N 292.317 3.729 30 20 CHED Cc1cccc2c1C/C(=C\c1c(F)ccc(O)c1F)C2=O 794942131 INKCXMVNJQVKTL-CSKARUKUSA-N 286.277 3.801 30 20 CHED CSCCON=C(CC(C)C)c1cccs1 794571579 CJHRQYNJOAETRK-UHFFFAOYSA-N 257.424 3.878 30 20 CHED CC[C@@H](C)n1ncc(Nc2snc(Cl)c2C#N)c1C 790809419 YFUOUJUTUONBOQ-SSDOTTSWSA-N 295.799 3.888 30 20 CHED C#Cc1cccc(NC(=O)Nc2cc(OC)c(C)cc2C)c1 797611620 WQGIXEHJYWMTKF-UHFFFAOYSA-N 294.354 3.937 30 20 CHED C[C@H](N(C)C(=O)[C@H](C#N)CCc1ccccc1)C(C)(C)C 1142771529 JFQMWAYAKXTOFI-HOCLYGCPSA-N 286.419 3.652 30 20 CHED CCCCc1cc(N[C@@H](C)c2cccc(C#N)c2)ncn1 1156876276 PUOBOTXOOMMDEV-ZDUSSCGKSA-N 280.375 3.864 30 20 CHED N#Cc1csc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 246125460 DOXUYYOQRPETEP-NZBFACKJSA-N 272.417 3.534 30 20 CHED N#Cc1cc(Cl)nc(N2CCCc3sccc3C2)c1 1515458316 JMDXORBGXNBAHR-UHFFFAOYSA-N 289.791 3.621 30 20 CHED N#Cc1nc(NC[C@H]2CCC[C@H]2C2CC2)ccc1Cl 1163501180 OSKWXWOAKFMQQS-NEPJUHHUSA-N 275.783 3.845 30 20 CHED CC(C)(C)c1ccc(NN=C/C=C\c2ccccc2)nn1 1318680914 BVIHAYAGUHYIEV-OIAJVEJOSA-N 280.375 3.885 30 20 CHED Cc1ccc(CNC(=O)Nc2cccc(CC#N)c2)c(C)c1 1310747410 PBUHDWQEMVRNNV-UHFFFAOYSA-N 293.370 3.691 30 20 CHED C(#C[C@@H](c1ccncc1)N1CCCCC1)c1ccccc1 98179795 LWTHEPKNZBKYRL-IBGZPJMESA-N 276.383 3.660 30 20 CHED Cc1ccc2c(C=NNCc3ccc(F)cc3)c[nH]c2c1 1319192478 OELAPDGENJVAAZ-UHFFFAOYSA-N 281.334 3.739 30 20 CHED C#C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(C)(C)C 702236014 IAUWHYFQWMJIDA-ZDUSSCGKSA-N 298.213 3.700 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccc2c(c1)oc1ccccc12 1325874765 PPWNSXFGGGHMIQ-NSHDSACASA-N 278.311 3.618 30 20 CHED N#Cc1cccc(-c2nnc(-c3cccc4cnccc34)o2)c1 1325809553 FVLGAZXTCYBXCT-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(-c2cccs2)s1 1325493416 CCBNTUROHUWSMA-JTQLQIEISA-N 290.413 3.899 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 192149388 QKXNEESEQLBQKA-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C=CCN(Cc1cn2cc(Cl)ccc2n1)C(C)(C)C 661755377 LNJKHVJSEXWKLC-UHFFFAOYSA-N 277.799 3.774 30 20 CHED COc1cccc2c(CN3CCC[C@@H](C#N)C3)cccc12 1183767556 DVTOBEUYCSPHAD-AWEZNQCLSA-N 280.371 3.584 30 20 CHED N#Cc1c(F)cccc1Nc1cnn(C2CCCC2)c1 722364225 BHKLNPHRRFKKIV-UHFFFAOYSA-N 270.311 3.753 30 20 CHED C=CCCCCN1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1330589825 IVFSQVJNQZFFSU-SFHVURJKSA-N 298.430 3.791 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)Cc1ccccc1Cl 1339067925 RJOQJTKJCLEXGF-OCCSQVGLSA-N 292.810 3.669 30 20 CHED C#CC[C@H](C)OC(=O)c1coc(-c2ccccc2Cl)n1 1342574848 LVUSYRSASIHNBU-JTQLQIEISA-N 289.718 3.564 30 20 CHED C=CC(C)(C)c1nnc(CCCc2ccccc2)o1 1349985708 JSYAYRFKJSCNAE-UHFFFAOYSA-N 256.349 3.709 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](c1ccccc1C)C(C)C 1341059583 DFHYDHQPEQDEKY-SFHVURJKSA-N 298.430 3.747 30 20 CHED Cl/C=C/CON=Cc1c[nH]nc1-c1ccc(Cl)cc1 1261207493 FYZQAXIVSCOOOG-PXAXFQINSA-N 296.157 3.833 30 20 CHED CCCCCCCC[C@@H](N)C(=O)Nc1c(C)noc1CC 1340307528 VURYABAVXTYOOR-CYBMUJFWSA-N 295.427 3.562 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN(c1cccnc1C#N)C2 1261364722 SXSNQIHRJGWWIL-UHFFFAOYSA-N 291.398 3.813 30 20 CHED C[C@H](CC(=O)N(c1cccc(C#N)c1)C1CCC1)C1CC1 1350253301 XVFZNWRTQZOQIX-CYBMUJFWSA-N 282.387 3.880 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2scc(C)c2C#N)c1 1459928201 ZOMJIYUFSYZRSP-UONOGXRCSA-N 296.395 3.979 30 20 CHED CS[C@@H](C(=O)Nc1sccc1C#N)c1ccccc1 1529948192 DBFLHKCBUIPQNC-GFCCVEGCSA-N 288.397 3.663 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(C(=O)O)co2)cc(C)c1F 1600075501 BSIAEECPOVSQJQ-ONEGZZNKSA-N 288.274 3.630 30 20 CHED COc1ccc(NC(=O)C2CCC(C)(C)CC2)cc1C#N 1462313978 NGKDTAFRHYAIQN-UHFFFAOYSA-N 286.375 3.722 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCCCC23CCCC3)nc1 1467102061 PGQXJODZIISJCN-CQSZACIVSA-N 298.390 3.578 30 20 CHED Cc1cccc(Nc2ncc(C#N)cc2Br)c1 217250761 KRUZZNLLTSJJFC-UHFFFAOYSA-N 288.148 3.768 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C(=O)O)c(Cl)c1 1609264225 HONRNMXYPRZXDR-AWEZNQCLSA-N 282.723 3.546 30 20 CHED C[C@H](C#N)CN(C1CC1)[C@@H](C)c1nccc2ccccc12 1461929776 XTFOZPMQJRIADE-KGLIPLIRSA-N 279.387 3.920 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1F 1530450920 JWTJFCZNWMFARW-GFCCVEGCSA-N 282.318 3.515 30 20 CHED Cc1ccc(F)c(CCNc2ccc(Cl)c(C#N)n2)c1 1612388255 AYVIFPBZHJYSNF-UHFFFAOYSA-N 289.741 3.709 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nccn2-c2cccc(F)c2)C1 1472947780 PIHIBCDXDFCRQY-RISCZKNCSA-N 287.363 3.796 30 20 CHED CC(C)CCOc1ccc(Nc2cncc(C#N)n2)cc1 1559115731 FQWFRUNVVVMZMC-UHFFFAOYSA-N 282.347 3.517 30 20 CHED N#Cc1ccccc1OCCN1CC[C@@H](C2CCCCC2)C1 1643729711 XFBBNASWZKMQOX-GOSISDBHSA-N 298.430 3.839 30 20 CHED Cc1cccc(CNc2cccc(C#N)c2C)c1F 1657459084 SYIXWLSYHVKLQI-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1cnc(SCCc2ccc(C#N)cc2)c(C)c1 1652957909 OHFFNZDZXOWMIL-UHFFFAOYSA-N 268.385 3.905 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)cs1 1595728214 UJCVYGWOCPCUAJ-QWHCGFSZSA-N 276.405 3.566 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ccc(C(=O)O)nc1 1776069379 GZCLUHITVHNPQL-UHFFFAOYSA-N 297.358 3.509 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1occc1C 1776786732 HHDJVAZDOHRQFL-CQSZACIVSA-N 281.396 3.881 30 20 CHED C=CCNC(=O)[C@H](C)Oc1ccc(Cl)c2ccccc12 15718669 QCJWLOISYTVUEU-NSHDSACASA-N 289.762 3.563 30 20 CHED C=C(Cl)C[S@](=O)[C@@H](CC)c1ccc(F)cc1F 150833658 VDJONAHUIOPGRP-YVEFUNNKSA-N 278.751 3.917 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cnn(C(C)C)c1 161525714 SGVTVPYYBFTCAL-HNNXBMFYSA-N 299.418 3.880 30 20 CHED Cc1nc(CCSc2cccc(C#N)c2)cs1 158027297 WCLGOXMBOJIVRZ-UHFFFAOYSA-N 260.387 3.658 30 20 CHED CCN(C(=O)C[C@H](C)CC(C)C)c1ccc(C#N)cc1 152043724 DUHXRKIOOJVGNQ-CQSZACIVSA-N 272.392 3.983 30 20 CHED N#CCC[C@@H](NC(=O)c1ccsc1)c1ccccc1 153536945 DBKLRXOEXYUAID-CQSZACIVSA-N 270.357 3.523 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(OCCCC)c(OCC)c1 153878245 VCVBZCRAKQTYEB-ZDUSSCGKSA-N 291.391 3.569 30 20 CHED C#CCCCCNC(=O)N1CCCCC[C@H]1c1ccncc1 155116767 KAVSFRNDEWWITE-KRWDZBQOSA-N 299.418 3.512 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 159936688 NMATUDHGPXPOJJ-NSHDSACASA-N 276.767 3.686 30 20 CHED COCCOc1cccc(/C=C2/Cc3ccccc3C2=O)c1 208339289 KSEOCBCGVXDXKW-WJDWOHSUSA-N 294.350 3.534 30 20 CHED N#Cc1cccc(COc2cccc(F)c2F)c1F 223548508 VGHFRLBCWXGLDL-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(C#N)cc2)C1 31726165 ADQPGFRFXXZVJZ-DOMZBBRYSA-N 271.364 3.601 30 20 CHED N#Cc1ccc(CNc2ccc(OC(F)F)c(F)c2)o1 156889222 OIRCSJIKMVVIDS-UHFFFAOYSA-N 282.221 3.504 30 20 CHED C[C@H](CNCc1ccc(C#N)cc1F)c1ccccc1 158001411 GOAUTGWSWKMVOG-CYBMUJFWSA-N 268.335 3.591 30 20 CHED C[C@@H]1CCCC[C@H]1CNCc1ccc(C#N)cc1F 42862846 RLWPUIVMRUFGDH-OCCSQVGLSA-N 260.356 3.613 30 20 CHED N#C[C@@H](C(=O)c1csc2c1CCCC2)c1ccccn1 46705969 WRKZJOYTMHHJKB-GFCCVEGCSA-N 282.368 3.512 30 20 CHED C[C@H](c1ccccc1F)N(C)Cc1cccc(C#N)c1 52073646 RYIOFWKACYTEDD-CYBMUJFWSA-N 268.335 3.890 30 20 CHED CC(C)(CNCc1ccc(C#N)s1)C1=CCCC1 308752974 DTEMRDKCTKVBCY-UHFFFAOYSA-N 260.406 3.846 30 20 CHED C=CCC(C)(C)CN[C@@H](C)CCc1ccc(O)cc1 311726833 QIRHQLIRXOHKNY-AWEZNQCLSA-N 261.409 3.905 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)c1cccnc1 340603317 JJFQMCZNBIREGG-OAHLLOKOSA-N 252.361 3.831 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1cc(C(=O)O)c(C)o1 692254171 MOQBXSBWBCOYQJ-WFASDCNBSA-N 277.364 3.511 30 20 CHED CCCCCCC[C@@H](C)NCC1=CCN(C)CC1 392251405 VZHUCFZOUDOWDO-OAHLLOKOSA-N 252.446 3.587 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccsc1C 816609808 NGGULCQOCMYOOA-UHFFFAOYSA-N 255.386 3.692 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(Br)cc1Cl 769963645 ZNYICDMFFLYWJC-VIFPVBQESA-N 286.600 3.556 30 20 CHED N#Cc1cccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)c1 56515732 OVVRRRHBKBPQBV-INIZCTEOSA-N 295.317 3.506 30 20 CHED N#Cc1ccc(NC(=O)c2ccnc(Cl)c2)c(Cl)c1 225782459 GISDAZCKRCJSKY-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1ccccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 8177764 DZXSZFFNVQODQW-UHFFFAOYSA-N 274.663 3.912 30 20 CHED CCC(=CC(=O)[C@H](C#N)c1nc2ccccc2o1)CC 177731852 FLHNBLKEMKXOQI-LBPRGKRZSA-N 268.316 3.750 30 20 CHED C=CCCCC(=O)Nc1cccc(OCc2ccccn2)c1 175272163 DHAVDVMYUHRRLA-UHFFFAOYSA-N 296.370 3.955 30 20 CHED C=C(Br)CN[C@H](CC)C1CCCCC1 52339309 LIMHVNJKKBUVRI-GFCCVEGCSA-N 260.219 3.844 30 20 CHED C#CCOc1cccc(NC(=O)c2cc(C)ccc2C)c1 108184495 BICXPKKPCJUVOL-UHFFFAOYSA-N 279.339 3.568 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccn(C(C)C)n1 172012956 QDABWMKTXNIXLS-UHFFFAOYSA-N 294.402 3.524 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(F)c(C)c1 104547752 IJMPRVCCFLVAAG-UHFFFAOYSA-N 290.382 3.926 30 20 CHED C[C@@H](C1CC1)N(C)Cc1ccc(Br)cc1C#N 310308360 SIDKGVRKQRZWDG-JTQLQIEISA-N 293.208 3.551 30 20 CHED COCCCCNc1c(C#N)cnc2c(C)cc(C)cc12 174688062 QHPVMXSLPDWOET-UHFFFAOYSA-N 283.375 3.562 30 20 CHED C=CCC[C@H](NC[C@H](c1cccs1)N(C)C)C1CC1 119844601 VYVDRDUSFYIRGL-LSDHHAIUSA-N 278.465 3.685 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccn(C2CCCCC2)n1 302831028 QNSWKCJSVPBSSK-UHFFFAOYSA-N 291.358 3.875 30 20 CHED CC(=O)c1ccc(C#N)c(NCCc2ccccc2F)c1 302017790 GHBVQFZDWIJPJR-UHFFFAOYSA-N 282.318 3.555 30 20 CHED C=CC1CCN(C(=O)c2c(F)cccc2Cl)CC1 110362205 WMWGFMZZRILMMH-UHFFFAOYSA-N 267.731 3.517 30 20 CHED Cc1cnc([C@H](NCc2ccc(C#N)cc2)C2CC2)s1 174545546 OOGPBXIMRSLPRN-OAHLLOKOSA-N 283.400 3.564 30 20 CHED C[C@@H](C1CC1)n1cc(Nc2ccc(Cl)c(C#N)n2)cn1 302345003 ARKAJZQTFUMERH-VIFPVBQESA-N 287.754 3.518 30 20 CHED N#Cc1ccc(NCC2(c3ccc(F)cc3)CC2)cc1 301104019 PCMHYCZDTLHNED-UHFFFAOYSA-N 266.319 3.841 30 20 CHED C#CCN(C)[C@H](C)c1sc(-c2ccccc2)nc1C 119501991 PQVDMLNTLMUQJF-CYBMUJFWSA-N 270.401 3.745 30 20 CHED N#CCN(C(=O)C1CCCCCCC1)c1ccccc1 172810429 RCFCAJHIISWLJH-UHFFFAOYSA-N 270.376 3.904 30 20 CHED C=CCCC(=O)N[C@H](CC(C)C)c1ccccc1OC 173584914 QNZGVZCDQFVWRT-OAHLLOKOSA-N 275.392 3.865 30 20 CHED CC[C@@H](C)[C@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 404159374 UCQKTNPZLVTVJX-ZBFHGGJFSA-N 284.403 3.626 30 20 CHED N#Cc1csc(/C=C2\CCc3cc(O)ccc3C2=O)c1 176844178 CCOCTDYJGAWBCZ-KPKJPENVSA-N 281.336 3.538 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1cc(F)ccc1C#N 177267010 YNACKKXUMYHRKK-UHFFFAOYSA-N 298.361 3.728 30 20 CHED C=CCN(C(=O)[C@@H](OC)c1ccccc1)c1ccccc1 179142424 MIMXKUGBKLFFFQ-KRWDZBQOSA-N 281.355 3.593 30 20 CHED CCOc1cc(Cl)ccc1CNc1ccc(C#N)nc1 301770431 KFCGXONTUPIQMY-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C(C)C)cc1 1355087852 FITRBNXVYBCYQQ-HNNXBMFYSA-N 258.365 3.574 30 20 CHED Cc1cc(C#N)ccc1Oc1ncnc2cccc(C)c12 301544187 OUNWPKLBLMKHCK-UHFFFAOYSA-N 275.311 3.911 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)C1(C#N)CCCCC1 177200206 MODLZBPJSCOHRK-HUUCEWRRSA-N 284.403 3.769 30 20 CHED C=CCCO[C@@H](C)C(=O)NC[C@H](c1ccccc1)C(C)C 69353524 KGCYXVJMRCFCCH-RDJZCZTQSA-N 289.419 3.524 30 20 CHED C=C(C)CN(CC)C(=O)c1csc2c1CC[C@H](C)C2 60624912 ZSKIDACHKYQLLJ-LBPRGKRZSA-N 277.433 3.911 30 20 CHED C#CCCCCC(=O)N(c1ccccn1)C1CCCC1 121468782 ORHUPGYTJMOXKJ-UHFFFAOYSA-N 270.376 3.551 30 20 CHED CC(C)(C)N/C(N)=N/Cc1ccccc1Oc1ccccc1 303905757 ZNJBBMRJVYEZOV-UHFFFAOYSA-N 297.402 3.682 30 20 CHED C=CCc1ccc(OCc2noc3c2CCCC3)c(OC)c1 123275317 KVATWARFKRDQAL-UHFFFAOYSA-N 299.370 3.870 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NC(C)C 79011667 XOTRWHROBWLVRS-UHFFFAOYSA-N 272.801 3.508 30 20 CHED C[C@H](CC#N)N(C)CCCc1ccccc1Br 182003396 HOURECZWVQWFLH-GFCCVEGCSA-N 295.224 3.616 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(Oc2ccccc2)o1 180465417 CUBPCLBUIKSREO-UHFFFAOYSA-N 271.316 3.720 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2F)cnn1C(C)(C)C 188873615 DSOYCZCJRAOKPL-MDZDMXLPSA-N 286.350 3.982 30 20 CHED CC[C@H](CC#N)NC(=O)C1(c2cccs2)CCCCC1 183795641 ZOZUMCMZUFQEGB-CYBMUJFWSA-N 290.432 3.758 30 20 CHED C=C(CN[C@H](C)Cc1ccsc1)c1ccccc1 211857241 YFNVBNGTUSNYCJ-CQSZACIVSA-N 257.402 3.982 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)ccc1C(C)=O 188067828 PFXSWDAHGGKXOR-HNNXBMFYSA-N 263.312 3.569 30 20 CHED N#CCc1cccc(C(=O)NCCC2=CCCCCC2)c1 184251447 UHTWHICSXPVUIV-UHFFFAOYSA-N 282.387 3.763 30 20 CHED CC[C@H](CC#N)NC(=O)/C(C)=C/c1cccc(Cl)c1 183877488 ZVPKOOXQQNOCMQ-CFRMROPGSA-N 276.767 3.552 30 20 CHED C[C@@H](NCCCC#N)c1cccc(C(F)(F)F)c1 128375556 ZSMYTDWHJSURRH-SNVBAGLBSA-N 256.271 3.660 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccs1)CCO2 122467488 GTNQKERXQYXBDN-LUAWRHEFSA-N 286.352 3.806 30 20 CHED N#CC1(CNC(=O)CCCCCc2cccs2)CCC1 416346998 NOJOFOGTYYLRQF-UHFFFAOYSA-N 290.432 3.661 30 20 CHED C=CCOc1cc(OC)ccc1-c1nc(-c2ccco2)no1 508000839 SIQIBJPTBFQMNR-UHFFFAOYSA-N 298.298 3.570 30 20 CHED CC(C)COC[C@@H](NCCCC(C)(C)C#N)c1ccco1 184148795 FNLIEKNJGPLNLO-OAHLLOKOSA-N 292.423 3.913 30 20 CHED CC#CCCCC(=O)N1CCCCc2c(OC)cccc21 185937532 NBIARWJYXGPDJP-UHFFFAOYSA-N 285.387 3.558 30 20 CHED CCC[C@@H]1CCc2c(sc(=O)n2CCC(C)(C)C#N)C1 410308420 MWZKPULEIQMDJH-GFCCVEGCSA-N 292.448 3.755 30 20 CHED C=CCCNc1cccc(NC(=O)OCC(C)C)c1 77245558 LHDQGIFWEKFMGL-UHFFFAOYSA-N 262.353 3.879 30 20 CHED C#CCN(CCc1scnc1C)[C@H]1CCc2ccccc21 74349856 DOISHIZINODPNC-KRWDZBQOSA-N 296.439 3.617 30 20 CHED CCC[C@H]1C[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 79640849 XBRHQHVUVUGBAT-BBRMVZONSA-N 286.375 3.744 30 20 CHED C=CCC(CC=C)C(=O)NCC(C)(C)c1cccs1 133689284 YYBLXRBNCFIFLM-UHFFFAOYSA-N 277.433 3.910 30 20 CHED C=CCOc1ccccc1-c1nc(Cc2ccccc2)no1 504236616 TWYNHBSHQMQCET-UHFFFAOYSA-N 292.338 3.892 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)cc2)C1 504362070 JPSYHVDLIYIBJG-JSGCOSHPSA-N 256.349 3.713 30 20 CHED C#CC[C@@H](OC(=O)c1cccc(Cl)c1)c1ccccn1 73294824 ZMDPCGWUALKTJX-OAHLLOKOSA-N 285.730 3.656 30 20 CHED C[C@@H](CCc1c(F)cccc1F)NCC1(C#N)CCC1 418143279 PAQHBXWAPMKVPF-LBPRGKRZSA-N 278.346 3.569 30 20 CHED N#Cc1ccc(CN(Cc2ccccc2)C2CC2)c(F)c1 43648612 WPQPFTRNYIKFMT-UHFFFAOYSA-N 280.346 3.862 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(C#N)cc1F 524757171 JSZJAAJQMZHZIO-HACGYAERSA-N 272.367 3.850 30 20 CHED COc1ccccc1/C=C/C(=O)c1cnn(C(C)(C)C)c1C 188879193 MILNGOHRFYVIRB-ZHACJKMWSA-N 298.386 3.851 30 20 CHED C=CCC[C@H](C)NCc1ccccc1CN(CC)CC 130531480 WQAXJGRDOIQXRH-INIZCTEOSA-N 274.452 3.973 30 20 CHED CO[C@H](CSCCC(C)(C)C#N)Cc1ccccc1 419483248 YYJXXOGRMMTNHT-HNNXBMFYSA-N 277.433 3.917 30 20 CHED C=C(CC)CN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 379658999 XZWZLMWQMCTDJI-AEFFLSMTSA-N 272.436 3.595 30 20 CHED Cc1nc(C/N=C(/O)c2cccnc2C2CC2)sc1C 329576946 SLQHSVNGXAESRO-UHFFFAOYSA-N 287.388 3.537 30 20 CHED N#CCN(C(=O)c1ccc(Cl)cc1F)c1ccccc1 194663240 BWNOAMIAEDWRRN-UHFFFAOYSA-N 288.709 3.649 30 20 CHED CC[C@H](/N=C(/O)C1CCC(=O)CC1)c1nc(C)cs1 329806285 NUPVDHQVHRVXGR-LBPRGKRZSA-N 280.393 3.618 30 20 CHED C=CCn1c(C(C)C)nnc1N1CC[C@H](C2CCCC2)C1 421257108 AHFLHNUUIYYTCR-HNNXBMFYSA-N 288.439 3.604 30 20 CHED C#CCCCC(=O)Oc1cccc(-c2nc(C)cs2)c1 192251018 LBHYVPPMQXDRGP-UHFFFAOYSA-N 285.368 3.827 30 20 CHED N#Cc1cnc(NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c(Cl)c1 132491384 YGYGAQSKPHOLFP-IIAWOOMASA-N 295.773 3.604 30 20 CHED C[C@H](OC(=O)c1cc(C#N)cs1)c1cccc(F)c1 83939673 BOQZMZGFRMYXLS-VIFPVBQESA-N 275.304 3.677 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1ccc(Cl)cc1 133155593 UXYSJYCFTOFTTG-CMDGGOBGSA-N 282.730 3.884 30 20 CHED C=CCSCCNC(=O)Nc1ccccc1C(C)C 194596153 LHJMNGPUICRYLQ-UHFFFAOYSA-N 278.421 3.851 30 20 CHED N#CC1(CN2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 429122189 OKKQMELZIBTTGB-AWEZNQCLSA-N 292.835 3.810 30 20 CHED N#Cc1ccc(NCc2nc3c(s2)CCCC3)cc1 615172034 DLRJRUIOWRZNIX-UHFFFAOYSA-N 269.373 3.506 30 20 CHED Cc1cn2c(/C=C/C(=O)c3ccco3)c(C)nc2s1 130867383 DMRJZJRIFVDICM-AATRIKPKSA-N 272.329 3.502 30 20 CHED COc1ccc([C@@H]2CCCN2c2cc(C)ncc2C#N)cc1 425200370 KVEIOEHRJCYTAA-KRWDZBQOSA-N 293.370 3.612 30 20 CHED C[C@H]1CC[C@@H](C(O)=Nc2ccc3c(c2)C(O)=NC3)C1 329232261 LEWJZHSTXWGIOM-VHSXEESVSA-N 258.321 3.529 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@H]1C[C@H]2CC[C@H]1C2 328838990 NZQOBUABQKCFDU-NHCYSSNCSA-N 291.420 3.519 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1cccc(C#N)c1C 513826964 GGZDLJIUVCWZLJ-UHFFFAOYSA-N 289.338 3.909 30 20 CHED C[C@H](Oc1ccc(C#N)cc1F)c1ccc(C#N)cc1 194655062 NDWAXLMTWBBYNQ-NSHDSACASA-N 266.275 3.709 30 20 CHED CC1(C(O)=Nc2ncn(C3CCCCC3)n2)CCCC1 329573896 RMPHWKIJIZYROY-UHFFFAOYSA-N 276.384 3.952 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(OC)c(C#N)c2)o1 83982122 KLEJOVARIPHBKX-QPJJXVBHSA-N 281.311 3.618 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)O)c(OC)c1 227175090 LYHJIUIOXHMPIY-UHFFFAOYSA-N 293.363 3.692 30 20 CHED O=C1/C(=C\c2nccn2-c2ccccc2)Cc2ccccc21 191209752 LCZWJFXDVNHOQK-SQFISAMPSA-N 286.334 3.695 30 20 CHED C#CCCCC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C 190674974 DJESTUHKXBWQNY-KDOFPFPSSA-N 269.388 3.620 30 20 CHED Cc1cccc2cc(C(=O)N(C)C3(C#N)CCC3)sc12 335989723 ZRYVJLYSLAIIAA-UHFFFAOYSA-N 284.384 3.728 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)N1[C@H]2CCC[C@H]1CC2 334592151 BQGRDHJVTSVNEE-IRXDYDNUSA-N 296.414 3.670 30 20 CHED CC(C)(C#N)CCOc1ccc(Br)c(F)c1 87592245 NDCNQIPHLSLXRX-UHFFFAOYSA-N 286.144 3.907 30 20 CHED C=CCN(CCC#N)CCSc1ccc(Cl)cc1 428843518 UCGSBFWYLASEQK-UHFFFAOYSA-N 280.824 3.834 30 20 CHED CCCCCCCCCC(=O)NCc1ccc(O)c(O)c1 143878521 IMEZQTOYVGTNPV-UHFFFAOYSA-N 293.407 3.855 30 20 CHED CCCCCCCC[S@](=O)Cc1nccs1 190834311 BYXMXVNHRYQABJ-INIZCTEOSA-N 259.440 3.752 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OCC(F)F)cc1 426578700 IURIYHWGOPIMBG-CQSZACIVSA-N 281.346 3.871 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(OC)cc1Cl 424306464 VJUSLFHCBFUQQE-GFCCVEGCSA-N 283.799 3.592 30 20 CHED Cc1csc(NC(=O)c2occc2C(C)C)c1C#N 335141974 HXTWIXFTEQECQP-UHFFFAOYSA-N 274.345 3.897 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(F)cc1F 426045248 VLGGIZXNNSSMFJ-WCQYABFASA-N 294.345 3.776 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)[C@@H]2CCCO[C@@H]2C)[nH]1 330042560 CEFVAUNIYLXIII-CHWSQXEVSA-N 299.374 3.788 30 20 CHED C[C@]1(CNc2ccc(Cl)cc2C#N)C[C@H]2CC[C@H]1O2 425274897 BDLCDVYYHXQWRT-BPLDGKMQSA-N 276.767 3.581 30 20 CHED C[C@@H](C#N)NC(=O)c1c2ccccc2cc2ccccc12 91964895 KTWLZPQSZADBBH-LBPRGKRZSA-N 274.323 3.635 30 20 CHED CC1(C)CN(C(=O)Nc2cccc(CC#N)c2)[C@@H]2CCC[C@H]21 335577762 FUQDRKZPBSUFNR-HZPDHXFCSA-N 297.402 3.795 30 20 CHED C[C@H](N[C@H]1CCCc2cccnc21)c1ccc(C#N)cc1 91660745 NTCPQBVKWHDRJH-GUYCJALGSA-N 277.371 3.681 30 20 CHED N#Cc1csc(CN2CCc3ccc(Cl)cc3C2)c1 93838272 DKLUKNAHXPTYHK-UHFFFAOYSA-N 288.803 3.831 30 20 CHED C=CCCC(=O)Nc1ccnc(OCc2ccccc2)c1 337370880 QCIOFFMKYLBZOD-UHFFFAOYSA-N 282.343 3.565 30 20 CHED Cc1ccccc1CN(C(=O)c1cc(C#N)cs1)C1CC1 437161535 SICDCLTYORUHBB-UHFFFAOYSA-N 296.395 3.733 30 20 CHED C=CCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 338548203 GNXLPDRFWFHKHI-CYBMUJFWSA-N 276.449 3.777 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]2CCC[C@@H]21 90795422 ZVEJLHQWJCLISP-PWSUYJOCSA-N 295.308 3.741 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1CSc2ccccc21 336511652 CWELVTKUUHVALE-CQSZACIVSA-N 294.379 3.581 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cccc(C(F)(F)F)c1 538198590 KQHRCXBJSBMYHI-NWDGAFQWSA-N 287.325 3.541 30 20 CHED CC#CCSc1nnc(C[C@@H](C)c2ccccc2)o1 97599351 RGSLXECOZRKCGF-GFCCVEGCSA-N 272.373 3.531 30 20 CHED N#CCCC1CCN(CCCc2cccc(F)c2)CC1 521038621 ACCXHNRVBJRNMD-UHFFFAOYSA-N 274.383 3.774 30 20 CHED CSc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1 348196675 HRCBTZKGZDVLFG-UHFFFAOYSA-N 291.420 3.860 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@@H](c3ccccc3F)C2)c1 343035963 XBNBLERZOJCNFF-ZIAGYGMSSA-N 281.334 3.841 30 20 CHED N#Cc1cccc(C2(NCc3scnc3C3CC3)CC2)c1 341236114 HVGMAXICRRWJHL-UHFFFAOYSA-N 295.411 3.671 30 20 CHED C=CCN(CC=C)Cc1nc2ccc(F)cc2s1 432740053 CTYWJHWFHZKSBY-UHFFFAOYSA-N 262.353 3.609 30 20 CHED COc1ccc2ccccc2c1CN[C@H]1CC[C@@H](C#N)C1 349803959 RTWOFBZIPBNBDT-HIFRSBDPSA-N 280.371 3.630 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(C)Cc2cccc(C#N)c2)C1 245755746 UUJSJZATUGQOCM-HALDLXJZSA-N 284.403 3.589 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Cl)cnc1Cl 297872194 ZPNKHAORKAPRMM-UHFFFAOYSA-N 273.163 3.929 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)Oc1cccc(C)c1 606816904 XJDMORYIFJINOT-INIZCTEOSA-N 289.419 3.967 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C#N)cc1Cl 297917987 UJNJRTHKRSHYLR-UHFFFAOYSA-N 262.740 3.752 30 20 CHED C=CCCCn1c(-c2ccccc2C)csc1=O 524845137 XPTXPUXUNAQHCZ-UHFFFAOYSA-N 259.374 3.851 30 20 CHED Cc1nc(SCCCC#N)n(CC(C)C)c1C 253479521 QVMYJJITFYSEHP-UHFFFAOYSA-N 251.399 3.552 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1cccc(F)c1 255310715 MTZYZYXVVWMWBA-KTKRTIGZSA-N 286.302 3.739 30 20 CHED CCn1cc(CCSc2ccc(C#N)cc2Cl)cn1 349235626 STCZMGXCKMEHEG-UHFFFAOYSA-N 291.807 3.763 30 20 CHED CC(C)(C)c1ccccc1OCCNc1cccc(C#N)n1 522935400 QZQKUQJXYBYKBW-UHFFFAOYSA-N 295.386 3.742 30 20 CHED N#CCCCCNC1(c2cccc(C(F)(F)F)c2)CC1 343001105 BIUHOBBDWGZRNH-UHFFFAOYSA-N 282.309 3.978 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CCCc2ccccc21 602506480 XVJKPOVSTKTQET-MAUKXSAKSA-N 298.430 3.753 30 20 CHED Cc1cccc(CSc2nc3c(c(C)c2C#N)CCC3)n1 345398304 IDOWPZHRCHZZDK-UHFFFAOYSA-N 295.411 3.746 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N(Cc1ccccc1)CC(C)(C)C 448914824 SUCBSMXLLLFYBO-KBXCAEBGSA-N 284.403 3.611 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CC1CCCCC1 448829496 ZINSWUCRVMJXLW-BBWFWOEESA-N 291.435 3.539 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@H](CC)C2)CC1 524889886 ZPQGWZFJJIVTCW-LSDHHAIUSA-N 264.413 3.563 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@H]2CCC[C@@H]2c2ccccc2)C1 449404389 ZKYVEVPXNZHJFE-NRSFXHEJSA-N 268.404 3.852 30 20 CHED CN(Cc1cccc(-c2ccccn2)c1)CC(C)(C)C#N 354012216 YFHGDVHODXUXNA-UHFFFAOYSA-N 279.387 3.730 30 20 CHED C=CCC[C@@H](N[C@H]1CCOc2c(F)cccc21)C1CC1 443215959 AWYHOWBORUXIBJ-CVEARBPZSA-N 275.367 3.984 30 20 CHED CC(C)(CCC#N)CNCCOc1ccc(Cl)c(F)c1 449486700 UTAWIBVZNTWXOS-UHFFFAOYSA-N 298.789 3.777 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C#N)cc1 609043138 ZLMPQDVCODPYHE-IAGOWNOFSA-N 299.418 3.716 30 20 CHED Cc1cccc(C(C)(C)CN[C@H]2CC[C@@H](C#N)C2)c1 442783768 RYBMBOJBBZVLQP-ZBFHGGJFSA-N 256.393 3.555 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)NCC#Cc1ccccc1 604739036 COHUZNJDDUATKD-KRWDZBQOSA-N 291.394 3.657 30 20 CHED CC[C@H](C)Cc1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 601398490 GVMAPWRFXTWBIW-TUKIKUTGSA-N 281.359 3.801 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1cccc3cccnc13)CC2 353386210 NEYGZJWVQFQNRO-IBGZPJMESA-N 299.377 3.884 30 20 CHED Cc1ccc(N/C(N)=N\[C@@H]2c3ccccc3O[C@@H]2C)cc1C 262334270 YXPLOISTKMIWNR-DYVFJYSZSA-N 295.386 3.552 30 20 CHED CCOc1ccc(COc2c(C)cc(C#N)cc2C)nc1 610675512 PXSIDCFJDLTSFZ-UHFFFAOYSA-N 282.343 3.548 30 20 CHED Cc1cccc2c(=NC3CCCCC3)c(C#N)c[nH]c12 610245052 FNPCZFMRFIIQPC-UHFFFAOYSA-N 265.360 3.581 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1ccccc1SCCC#N 354276877 CWILARWRXBDBOM-RYUDHWBXSA-N 274.389 3.677 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 351614608 HZRDSUFPYRAEEW-KMFMINBZSA-N 289.419 3.695 30 20 CHED C=CCOCC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 354566740 AIQXTWRWWZHVJN-GFCCVEGCSA-N 293.794 3.595 30 20 CHED C=CCC1(NC(=O)[C@H]2CC23CCSCC3)CCCC1 619110708 NVTPRURGBJTJRL-CYBMUJFWSA-N 279.449 3.525 30 20 CHED CCC(C)(C)CCN1CCC[C@@]2(CCCCO2)[C@H]1C#N 447908764 VKWJYSLWSIKNGS-WBVHZDCISA-N 278.440 3.740 30 20 CHED CCC[C@@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 611239252 YTHVJUAJWPXAAC-CQSZACIVSA-N 297.402 3.546 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)CC1 356121415 VYWSIRSRIHWEIX-RISCZKNCSA-N 291.341 3.683 30 20 CHED C[C@H]1CCN(c2ccc(F)cc2C#N)CC12CCC2 611298580 AOCFCQRBYZGPHG-LBPRGKRZSA-N 258.340 3.714 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 618807240 WSSVNVIHISPYSC-DJJJIMSYSA-N 287.366 3.768 30 20 CHED C[C@H](NC(=O)C[C@@H]1CCC[C@H]1C)c1cccc(C#N)c1 613580114 IWMQZCRSBNELNA-IPYPFGDCSA-N 270.376 3.562 30 20 CHED C=C[C@H](CC(=O)Nc1cc(C)cc(C)n1)c1ccccc1 533991772 QWDVOCDSJPPDHW-OAHLLOKOSA-N 280.371 3.997 30 20 CHED C=CCC1(NC(=O)c2ccc(OC)cc2C)CCCC1 619108272 RDLXKMSSJIIELN-UHFFFAOYSA-N 273.376 3.622 30 20 CHED C=CCOCCCC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 361455507 DCOGXZGLXPOCIG-AWEZNQCLSA-N 293.382 3.718 30 20 CHED C[C@@H]1CCCC[C@H]1NCc1ccc(C#N)c(Cl)c1 619755862 WRXWPZRPFXXNLI-IAQYHMDHSA-N 262.784 3.880 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 455383585 KVPLIEXRIJAWLC-GOEBONIOSA-N 286.419 3.991 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1ccsc1)c1ccco1 276464096 OLAPALKDRIBHMY-ZIAGYGMSSA-N 277.389 3.672 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCSC1 369492849 WYDSPQLGZYCDHO-OIISXLGYSA-N 286.444 3.511 30 20 CHED CCc1ccc([C@@H](C)NC(=O)NCC(C)(C)CC#N)cc1 457464645 RCHXIGKRDCOBQS-CYBMUJFWSA-N 287.407 3.549 30 20 CHED C[C@H](NC(=O)C[C@@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 274405445 NORVWZGTMGBESQ-XEZPLFJOSA-N 270.376 3.562 30 20 CHED CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(C#N)s1 276219764 QGHDXOSELYLSNO-LLVKDONJSA-N 288.338 3.783 30 20 CHED CCC(=O)c1ccc(Oc2snc(C)c2C#N)cc1 360850273 KWULSTXYXSBSLV-UHFFFAOYSA-N 272.329 3.708 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(CCCSCC#N)C2)cc1 278683030 OWLNXJWZYVNPKY-DOTOQJQBSA-N 288.460 3.820 30 20 CHED CO[C@@H](CN1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 619781316 UFBPRGIRESWLSZ-HOTGVXAUSA-N 292.810 3.653 30 20 CHED C#CCCCCC(=O)N(CC)c1ccccc1Cl 274888193 KZWKVGQEBWSUIO-UHFFFAOYSA-N 263.768 3.887 30 20 CHED CC[C@@H](N[C@@H]1CCCC[C@H]1OC)c1ccc(C#N)cc1 279527883 PAGOIVYLUUKCJI-BRWVUGGUSA-N 272.392 3.557 30 20 CHED CCOc1ccc(C#N)cc1NCc1nc(C2CC2)cs1 542235251 ULZOCSPYLXVLRF-UHFFFAOYSA-N 299.399 3.903 30 20 CHED C=CCCN(C)C(=O)C(C)(C)c1ccccc1Cl 276030621 BVZPVQJZYUBFOQ-UHFFFAOYSA-N 265.784 3.652 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@H](OCC2CC2)C1 364779458 OBXYEWZAVMUQTQ-KDOFPFPSSA-N 284.403 3.510 30 20 CHED CC(C)N(C)c1ccc(NC(=O)CC(C)(C)C#N)cc1F 278304194 SSVQHUAKVVYJTJ-UHFFFAOYSA-N 291.370 3.549 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc([C@]2(C#N)C[C@@H]2C)n1 453191528 YTHHBNXYMBOUIY-OXIQGZBJSA-N 259.353 3.555 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC2(CCC2)C1 362390414 SKKHYEIXUXXIDZ-UHFFFAOYSA-N 287.428 3.981 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nc(C(C)(C)C)cs1 549898444 FYXNLOPFQGWOAL-UHFFFAOYSA-N 281.425 3.871 30 20 CHED C=CCC1(C(=O)NCCc2nc3c(C)cccc3o2)CCC1 276921245 QVBATNVBSFAMIF-UHFFFAOYSA-N 298.386 3.541 30 20 CHED CCS[C@H](C)c1noc(-c2cccc(CC#N)c2)n1 273990837 QEGJFXDLGYOOQS-SNVBAGLBSA-N 273.361 3.617 30 20 CHED CC[C@@H](N[C@@H](CCOC)c1ccco1)c1ccc(C#N)cc1 278705125 LFHVYNIKQLYQMJ-SJORKVTESA-N 298.386 3.970 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1cc(C)ccc1O 273521463 UJKLTUIPYFRBCJ-HNNXBMFYSA-N 295.382 3.563 30 20 CHED CN(CCc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1)C1CC1 463234550 CQJFMJRXYWISAH-SJLPKXTDSA-N 297.446 3.818 30 20 CHED C=CCCN(C)C(=O)[C@H](C)c1ccc2ccccc2c1 467060099 QWYUMKNHJJVTEE-CQSZACIVSA-N 267.372 3.978 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 464758089 QFDSTIZWHCWCDI-FZMZJTMJSA-N 278.783 3.761 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 464757843 PQBUTJPSWQMNGM-CYBMUJFWSA-N 298.386 3.564 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]2Cc2ccccc2)c(F)c1 462886777 HBUVADQIYCGDLG-WMLDXEAASA-N 266.319 3.740 30 20 CHED C=CCC[C@H](CCC)NC[C@@H]1CCO[C@H]1C(=C)C 280720910 FSJWDCNKNCUJCS-JYJNAYRXSA-N 251.414 3.692 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 280374530 OVLFTBUHTNCNNX-GOSISDBHSA-N 297.402 3.546 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc2C1 468291506 PVRNCEIZNCDFQU-GOSISDBHSA-N 294.373 3.687 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC=C(c2ccccc2F)C1 376387446 QTPSVGBKMIDCFS-AWEZNQCLSA-N 288.366 3.589 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCCCC1 372634583 HUWXLZREYXVTOU-QZTJIDSGSA-N 296.414 3.865 30 20 CHED CCC(CC)c1cc(CNc2snc(C)c2C#N)on1 283748058 KMLLWTRMWSPIEC-UHFFFAOYSA-N 290.392 3.827 30 20 CHED C[C@@H]1CCc2c(C(=O)N[C@H](C#N)C(C)(C)C)csc2C1 464712953 RJAWCMVGMQDNHV-QMTHXVAHSA-N 290.432 3.541 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccc(Cl)cn2)n1 554177989 XPONPPFKUDUSEG-UHFFFAOYSA-N 289.791 3.911 30 20 CHED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@H]1CC 460955308 BWCLZGUMZOENCZ-CQSZACIVSA-N 299.422 3.618 30 20 CHED C=CC[C@@H](CC)N[C@H](CC)Cc1ccc(OC)c(OC)c1 467422104 ZYJAIMZXEREZAQ-HZPDHXFCSA-N 291.435 3.969 30 20 CHED CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H](C)C(C)C 290256258 USKOACSJVIXOKZ-LLVKDONJSA-N 277.343 3.596 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[C@@H](OC)C1 551035235 ORVONKGHMVSCHL-IAGOWNOFSA-N 293.451 3.787 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccncc2C)c1 471806516 YXVJNARDICPACI-UHFFFAOYSA-N 282.343 3.597 30 20 CHED C=CCOCCCN[C@H](C)c1nc(C(C)(C)C)cs1 470779237 LRZPWVHXGQBNJN-GFCCVEGCSA-N 282.453 3.684 30 20 CHED C[C@@H](F)CCOc1c(Br)cccc1CC#N 564396661 DWFBEYWVHALYBO-SECBINFHSA-N 286.144 3.642 30 20 CHED C=CC(C)(C)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 294836786 FKYFYUCZKRQGAX-UHFFFAOYSA-N 290.794 3.692 30 20 CHED C=C(CC)COc1ccc(F)cc1-c1ccnn1C 478839773 QZGPJEDICKMHCH-UHFFFAOYSA-N 260.312 3.571 30 20 CHED C=C(C)C[C@H](C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 568149708 XKUZFTFYYYEATR-YOEHRIQHSA-N 288.435 3.528 30 20 CHED C#CCN(Cc1ccccc1)Cc1c(C)nn(CCC)c1C 809717175 CSNKSAAYXFAQEM-UHFFFAOYSA-N 295.430 3.545 30 20 CHED C#C[C@H](NC(=O)N(CC(=C)C)Cc1ccccc1)C(C)(C)C 808318502 MGLHLSSVJQBUEY-KRWDZBQOSA-N 298.430 3.822 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)Cc1ccc(C#N)cn1 565663795 BUQDKBPUJUSNCQ-GOSISDBHSA-N 295.386 3.545 30 20 CHED C=CCCC1(C(=O)NCc2c(C)c3ccccc3n2C)CC1 477133951 GKOXMAHSMKRYKZ-UHFFFAOYSA-N 296.414 3.849 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2nc(C)c(C)[nH]2)cc1 292681682 OXNIZIZWRKRYKS-AWEZNQCLSA-N 271.389 3.562 30 20 CHED C=CCC[C@H](NC(=O)C[C@@H](C)n1ccnc1)c1ccccc1 563217593 NTODRFIFULRNRD-WBVHZDCISA-N 297.402 3.658 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 806333051 DMYVVNXFBWDNPA-LBPRGKRZSA-N 297.358 3.629 30 20 CHED CC[C@H](COC(=O)c1ncc(C#N)cc1C)c1ccccc1 815939842 BCSYLLYMVBXLHP-OAHLLOKOSA-N 294.354 3.612 30 20 CHED N#Cc1c(F)cccc1/C=C1/Oc2ccc(Cl)cc2C1=O 811689839 NDUVXYUXHYOQBV-GIDUJCDVSA-N 299.688 3.967 30 20 CHED CCCC(=NNCCc1ccccc1F)c1cccnc1 814875860 ZLIVWNRUVCAHFY-UHFFFAOYSA-N 285.366 3.557 30 20 CHED C=CCC[C@@H](NC(=O)NOC[C@H](C)CC)c1ccccc1 813690360 PEKIEQPBPZERJR-GDBMZVCRSA-N 290.407 3.971 30 20 CHED C=CCC(C)(C)c1nc(-c2cc(OC3CCC3)ccn2)no1 571115474 NIUXBSPMSJDXEY-UHFFFAOYSA-N 299.374 3.917 30 20 CHED C=CCCC(CCC)=NN=c1cc[nH]cc1Cl 814869053 QWDHBWZCRHCQKC-UHFFFAOYSA-N 251.761 3.691 30 20 CHED N#CCCNC(=O)Nc1ccc2c(c1)oc1ccccc12 488358036 WKHKUEATGAMHKX-UHFFFAOYSA-N 279.299 3.621 30 20 CHED CCc1nc2c(s1)C(=NOC/C=C/Cl)CCC2 811668984 WQURACPZCMOOIJ-ZPEYGQBVSA-N 270.785 3.515 30 20 CHED C#CCOc1ccc(CNc2ncc(Cl)cc2C)cc1 812345952 YFQFSBJWYJJUJU-UHFFFAOYSA-N 286.762 3.668 30 20 CHED N#CCCOCCN[C@H](c1ccccc1)C1CCCCC1 815077855 HBBBZWBBYISZIS-GOSISDBHSA-N 286.419 3.828 30 20 CHED CCCCCc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 484993089 GEBFCTLVNIGXMP-UHFFFAOYSA-N 281.359 3.871 30 20 CHED Cc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1C#N 576694889 DXBQZINBFWEHDZ-UHFFFAOYSA-N 280.415 3.925 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)n1 486588775 XHQZFTUSTFGUMX-CGTJXYLNSA-N 289.382 3.568 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(OCC#N)c2)cc1 727744775 KJFLASKHKVCYJE-JXMROGBWSA-N 277.323 3.794 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(C(C)C)cc1 485470031 RVHLEDYGHPMTFH-HNNXBMFYSA-N 258.365 3.574 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(Cl)n2)C1 821763926 ISYDJUDUIBZDHH-NSHDSACASA-N 279.771 3.555 30 20 CHED C=CCCOC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 729890403 VIYRGCLNWQBKMH-UHFFFAOYSA-N 291.734 3.657 30 20 CHED C=CCCCNC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 824307276 FEEKUOGKVZQRTK-GJZGRUSLSA-N 296.455 3.578 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl 491668190 JOXKQWFGRAVLGL-MRVPVSSYSA-N 295.169 3.568 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sc(-c2ccc(C)cc2)nc1C 822473508 YUVCMPWZSFRINZ-LBPRGKRZSA-N 298.411 3.521 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)Cc1ccccc1 494885888 KOYBXVPQIQIXAF-DLBZAZTESA-N 286.419 3.758 30 20 CHED CC[C@@H](c1ccccc1)N(CC)c1ncccc1C#N 498960427 RXRWXNWTGDULOH-INIZCTEOSA-N 265.360 3.931 30 20 CHED Cc1nc(C)c([C@@H](C)N(C)C(=O)CCCCCC#N)s1 588351421 RGYUUPDLMDITPO-GFCCVEGCSA-N 293.436 3.753 30 20 CHED C=CCCCC(=O)OCc1cc2cc(F)ccc2[nH]1 822326343 QYMWRTOQIOOXKC-UHFFFAOYSA-N 261.296 3.707 30 20 CHED CC[C@H](NCc1ccc(Cl)nc1)c1cccc(C#N)c1 902755061 KLUANXIASYHRRQ-HNNXBMFYSA-N 285.778 3.848 30 20 CHED C[C@@H]1CCN(C(=O)CCCCCC#N)[C@H]2CCCC[C@H]21 588635046 PQBIOFFIFFAZAU-PMPSAXMXSA-N 276.424 3.888 30 20 CHED Cc1cccc(CCCON=C2CCCOCC2)c1 588398892 CYGHJUDUTVJFKM-UHFFFAOYSA-N 261.365 3.501 30 20 CHED Cc1cc(C=NNc2c(F)cccc2F)ccc1F 735615497 QZWGQGRTVRARBK-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1ccnc(OC)c1 584361207 HIVNYBSMCZVSJC-AWEZNQCLSA-N 298.386 3.506 30 20 CHED N#Cc1ncc(NCc2scnc2C2CC2)cc1Cl 581352330 YKGHZNONDVDLPA-UHFFFAOYSA-N 290.779 3.553 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@H]1CCCCC(F)(F)C1 490302914 UMTBSVYDWMTVSI-QWHCGFSZSA-N 288.382 3.856 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C\c2ccsc2)s1 491152834 WBCZCPZDXHEYDL-ARJAWSKDSA-N 288.397 3.896 30 20 CHED Cc1ccc(N2CCN([C@H](C)CCC#N)[C@@H](C)C2)cc1C 839504604 LUZLBMDYGQKRSI-SJORKVTESA-N 285.435 3.506 30 20 CHED CC(C)n1cncc1/C=C/C(=O)c1ccc2c(c1)CCCO2 901540007 LUYSVEKBEREHEX-VOTSOKGWSA-N 296.370 3.685 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cncn1C(C)C 901476400 BSLUXVZPBWWEHE-VOTSOKGWSA-N 299.330 3.577 30 20 CHED CC[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(C#N)c1 902787276 ZDXOYGHPDTYHHP-GOSISDBHSA-N 292.382 3.734 30 20 CHED CC/C(C)=C\C(=O)[C@H](C#N)c1nc(C(C)C)cs1 835200642 NHIRTUQVPFOJLA-YAEJEKNGSA-N 262.378 3.799 30 20 CHED C#CCCCCC(=O)NC1(Cc2cccc(Cl)c2)CC1 837039325 AAYNCOONVFBYFK-UHFFFAOYSA-N 289.806 3.725 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2ccc(OCC#N)cc2)C1 731211455 JXOVJBWYHQQUBD-ZBFHGGJFSA-N 272.392 3.599 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)OC[C@H](C#N)Cc1cccs1 835260597 IUXHPJFYIZJOJP-GUTXKFCHSA-N 291.416 3.800 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc3c(c2)COC3)c1 834902327 GWHMBFQKPRLPKP-AWEZNQCLSA-N 277.367 3.549 30 20 CHED CSc1ccccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839060369 ZYCQIOBIVAHDMC-VXGBXAGGSA-N 275.373 3.648 30 20 CHED C=CCC1(CNC(=O)c2ncoc2C(C)C)CCCC1 836990312 CWSQTVBACIGZEJ-UHFFFAOYSA-N 276.380 3.664 30 20 CHED CO[C@@H]1CCC[C@@H](C(=O)OCCCCC2(C#N)CCC2)C1 909343042 HFAVTGWDFRXFMO-HUUCEWRRSA-N 293.407 3.599 30 20 CHED O=C(Cc1ccsc1)N(O)Cc1cccc2ccccc12 900091855 QDUKKNRYPWSYAV-UHFFFAOYSA-N 297.379 3.862 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCc2cc(F)ccc2F)C1 839049013 PPBNKLOPYQYBDU-FZMZJTMJSA-N 293.313 3.523 30 20 CHED FC(F)(F)CCNN=C1CCC(OC2CCCC2)CC1 834975706 BWUXXLLGUOBASU-UHFFFAOYSA-N 292.345 3.786 30 20 CHED Cc1cc(F)cc(-c2noc(CCCCCC#N)n2)c1 589085662 CABSPMZLVWLMGB-UHFFFAOYSA-N 273.311 3.811 30 20 CHED N#C[C@]1(C(=O)OCc2cccc(Cl)c2)CC12CCCC2 837901899 IGJNYSFTBXOYAQ-INIZCTEOSA-N 289.762 3.857 30 20 CHED C=CCC1(C(=O)OC[C@@](C)(C=C)CCOC)CCCC1 835338517 VJUUERNREJJRHD-INIZCTEOSA-N 280.408 3.895 30 20 CHED C=CCCN[C@H](C)c1ccc(OC(F)F)c(OC)c1 678742732 PMKMDEILJFBURU-SNVBAGLBSA-N 271.307 3.523 30 20 CHED Cc1ccc(C(=O)N(C2CC2)[C@H](C)C#N)c(Cl)c1Cl 598134185 FUGOMWVNXVHZEG-SECBINFHSA-N 297.185 3.819 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2cnn(C(C)(C)C)c2C)c1 834904505 ZBRIAIOZELONMZ-AWEZNQCLSA-N 295.430 3.779 30 20 CHED C=CCC1(C(=O)OCc2cccnc2C)CCCC1 835445226 LHKWDOUBPYYUBY-UHFFFAOYSA-N 259.349 3.570 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C1CCC1 594277831 OFEZVAKREAMEBI-KBXCAEBGSA-N 296.414 3.528 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCCC[C@@H]1CCC 679288873 XXOZBMVOPSPJQC-KBPBESRZSA-N 252.402 3.563 30 20 CHED C=CCOc1ccc(OC(=O)c2ccccc2OCC)cc1 742860644 BUSVIJPIFMXLCT-UHFFFAOYSA-N 298.338 3.869 30 20 CHED C#C[C@@H](C)OC(=O)c1cccc(Nc2ccccc2)c1 744181076 JOZFKNYJMHMWKL-CYBMUJFWSA-N 265.312 3.609 30 20 CHED C(=NOCc1ccccc1)c1nccc2ccccc12 740760984 SQVZNZOKZKWKRC-UHFFFAOYSA-N 262.312 3.786 30 20 CHED CCO[C@@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 915275420 KUJJOSZDTNVGMG-ZDUSSCGKSA-N 295.338 3.556 30 20 CHED CCCCCC[C@H](C)NN=Cc1cc(C#N)cs1 748078771 FZCWVHSHRXIJKO-LBPRGKRZSA-N 263.410 3.902 30 20 CHED C=C[C@H](C)NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 672464093 KSCKLYGXWQBGCM-SVGFKBNWSA-N 284.403 3.539 30 20 CHED COc1ccc(O)c(/C=N\Cc2cc3ccccc3[nH]2)c1 746681435 ILQNWKBJFYJQSN-ZDLGFXPLSA-N 280.327 3.501 30 20 CHED Cc1ccc(C(F)(F)F)c(NC(=O)CCCC#N)c1 598872476 XEAHJSXWJCNMNT-UHFFFAOYSA-N 270.254 3.646 30 20 CHED N#CC1(c2ccc(-c3ccc4c(c3)CC(=O)N4)s2)CCC1 844233372 DVCSMPIFOMVTTF-UHFFFAOYSA-N 294.379 3.855 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1(c2cccc(Cl)c2)CCC1 594092581 GWRLZEJXNYKBQG-AWEZNQCLSA-N 290.794 3.522 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H](CO)[C@H]1C 840246408 ZVVVQAATIJRYPZ-CVEARBPZSA-N 298.471 3.539 30 20 CHED CCCC[C@H](C(=O)NCC(C)(C)CCC#N)C(C)C 598735014 HFXIYIKVSBMADH-AWEZNQCLSA-N 266.429 3.895 30 20 CHED COCc1ccccc1/C=C(/C)CN1CCC[C@@H](CC#N)C1 597175325 AVKJEMXREXWMFO-WBILKINKSA-N 298.430 3.862 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](C)c2ccccc21 590726184 ZZGQNSNQQBRLKY-LBPRGKRZSA-N 293.370 3.739 30 20 CHED N#CCCCC(=O)Nc1ccc2ccn(C(F)F)c2c1 598061227 KBKIABZGCWPQCF-UHFFFAOYSA-N 277.274 3.669 30 20 CHED CCn1cncc1CNc1ccc(OC(C)(C)C)c(C#N)c1 841504944 JZNVIRDBZRAFPZ-UHFFFAOYSA-N 298.390 3.564 30 20 CHED C=C[C@@H](C)ONC(=O)C1(Sc2ccccc2)CCCC1 846546157 SHQBGKTWUANOHP-CYBMUJFWSA-N 291.416 3.714 30 20 CHED C[C@H](c1cccs1)[S@](=O)CCCC(C)(C)C#N 747448399 NQETVKIRNZEMCB-PIGZYNQJSA-N 269.435 3.888 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](CC#N)C2)cc1C 597899503 AQQDEOZULVIUGY-RYQLBKOJSA-N 296.414 3.559 30 20 CHED COCc1ccc(C=NNc2cc(F)cc(F)c2)cc1 741762597 PDDWICDGCNKBPB-UHFFFAOYSA-N 276.286 3.557 30 20 CHED CCOc1ccc(C[C@H](C)CN[C@H]2CC[C@@H](C#N)C2)cc1 590780361 ZEYPHBWAZRMOPT-UAGQMJEPSA-N 286.419 3.546 30 20 CHED Cc1ccc([S@@](=O)CCCCC(C)(C)C#N)s1 840876310 VQKIDLYISLWUHK-KRWDZBQOSA-N 269.435 3.884 30 20 CHED CC(C)(CC#N)CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 597760207 FYJLQRHIUZNPEZ-SHTZXODSSA-N 276.424 3.649 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1cc(Cl)nc(C2CC2)c1 847681909 YGGSIUIOJNNEOX-SECBINFHSA-N 265.740 3.734 30 20 CHED COc1cccc(C=Nc2ccc(Cl)cc2F)c1O 920943041 YJAFTNCKWMPRBP-UHFFFAOYSA-N 279.698 3.944 30 20 CHED COc1ccc(CNC[C@@H](C)c2cccc(F)c2)cc1C#N 742369509 ZQCCDXGRNDZEGM-CYBMUJFWSA-N 298.361 3.599 30 20 CHED C#CCCOC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 744049818 ZMKNNKBSNXCOLJ-OLZOCXBDSA-N 283.154 3.663 30 20 CHED C#CCCOc1ccc(-c2nc3ccccc3n2C)cc1 920423487 PGJHPLGRPFDYKF-UHFFFAOYSA-N 276.339 3.642 30 20 CHED C#Cc1cccc(NC(=O)C[C@H]2CCCC[C@H]2C)c1 920434130 PWBVXOZIRYQVMP-UKRRQHHQSA-N 255.361 3.823 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C(C)=C(C)C)cc1 847046562 ZYTHMHSSHOKSNJ-INIZCTEOSA-N 270.376 3.628 30 20 CHED C=CCCCc1nc(Cc2ccc(Cl)nc2C)no1 924242835 DLUSBHIVPJZAFL-UHFFFAOYSA-N 277.755 3.526 30 20 CHED C=C1CN(C(=O)Nc2ccc(OCCCC)cc2C)C1 929896376 SHSDDDKJDKEGFH-UHFFFAOYSA-N 274.364 3.578 30 20 CHED C=CCSCCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21 756684539 YMAZZUATYVUWKJ-PWSUYJOCSA-N 281.396 3.588 30 20 CHED CC(CCCCCCC(=O)O)=NN1CCCC[C@@H]1C 853381811 MIUMLRQXJBFANY-AWEZNQCLSA-N 268.401 3.662 30 20 CHED Cc1ccccc1SC[C@H](C)CN(C)CCC#N 859161562 PHXZOMYMDJHMKU-CYBMUJFWSA-N 262.422 3.569 30 20 CHED CS[C@@H]1CCC[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 922072660 MWXFILKXIWGBKM-BFYDXBDKSA-N 286.444 3.809 30 20 CHED C[C@H]1CC/C(=C\C(=O)N(CCC#N)CC(C)(C)C)C1 753612444 XPJHKTPDCZWRTE-UQRISPGASA-N 262.397 3.521 30 20 CHED CCCCCCCCNC(=O)CCc1ccco1 754855369 VPCAFYGZLMFIHE-UHFFFAOYSA-N 251.370 3.689 30 20 CHED Cc1cc(F)c(C(=O)O[C@@H](C#N)C2CCCCC2)c(F)c1 850320064 IWPOMDVXDJZDJD-AWEZNQCLSA-N 293.313 3.903 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(OCC#N)c2)o1 752238948 ZMPGACIEDOSXEF-VURMDHGXSA-N 281.311 3.640 30 20 CHED Cc1ccc2c(CCC(=O)O[C@@H](C)C(C)(C)C#N)c[nH]c2c1 753607205 PAUISEKHVFKSLM-ZDUSSCGKSA-N 298.386 3.890 30 20 CHED Cc1ccc(F)cc1NN=Cc1cnc(C2CC2)s1 853393540 KJEFZSNVMCRQAB-UHFFFAOYSA-N 275.352 3.914 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCCN(c2ccccc2)C1 926322969 USIDNQPHGWAPMR-IRXDYDNUSA-N 299.462 3.821 30 20 CHED CC(C)(C)[C@H]1C[C@H](NCc2ccc(C#N)cc2)CS1 754127346 KKNLLKQGCWPFKJ-LSDHHAIUSA-N 274.433 3.568 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cnc2ccsc2c1 851209084 IFKDKDWXZUMVIO-SNVBAGLBSA-N 288.372 3.781 30 20 CHED CCc1cnc(COC(=O)CC2(C#N)CCCCC2)s1 850940508 PFWYDIWSLRQLQS-UHFFFAOYSA-N 292.404 3.613 30 20 CHED CNc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1F 850152271 NISJBHDIBNYHOZ-UHFFFAOYSA-N 292.354 3.744 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1sc(C(C)C)nc1C 755825607 YQAAUEWMEWFQFK-GFCCVEGCSA-N 282.409 3.842 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C\c1ccccc1F 851214396 PZACRUDZFVDEPY-JLVNDZCYSA-N 275.323 3.710 30 20 CHED C=C[C@@H](CC)CC(=O)N(C1CC1)[C@@H](C)c1ccco1 930515120 IRNXICSODGJRSA-STQMWFEESA-N 261.365 3.934 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 935785205 IVSJIRQJBJSNLQ-JTNHKYCSSA-N 279.330 3.539 30 20 CHED Cc1cc(/C=C\C(=O)c2ccccc2O)cnc1Cl 760263465 HZQRBAFWUOPREA-SREVYHEPSA-N 273.719 3.645 30 20 CHED CCC[C@H](C)c1noc(-c2cccc(CC#N)c2)n1 761842207 JAKVTRYVQIZKKI-NSHDSACASA-N 255.321 3.706 30 20 CHED N#CCCN(Cc1ccco1)C(=O)c1cc(Cl)cs1 760209346 SLSAKDWIOBAECI-UHFFFAOYSA-N 294.763 3.551 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)c1cncs1 767788282 KKLXDEHSWQRKGX-UHFFFAOYSA-N 293.395 3.934 30 20 CHED CCCCCCCNC(=O)[C@H](C)n1cnc2ccccc21 862357964 OEBKHTJVUGYXJV-AWEZNQCLSA-N 287.407 3.684 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)N1CCC(C#N)CC1 931174908 XRBDVWWOGMCOIW-UHFFFAOYSA-N 284.403 3.651 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1sccc1O 769763721 HXYKUQTWXVXCOL-UHFFFAOYSA-N 283.356 3.838 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc2ccc(O)cc12 768293390 RCNFDZMWZOJZOZ-UHFFFAOYSA-N 267.328 3.533 30 20 CHED CCc1cnccc1C(C)=NNc1ccc(Cl)nc1 765581126 NLCTWVGSKGEJTG-UHFFFAOYSA-N 274.755 3.529 30 20 CHED CC(C)N(C(=O)CC#Cc1ccccc1)C1CCCC1 1116270983 WZBUTKHISXIJJB-UHFFFAOYSA-N 269.388 3.608 30 20 CHED CCCC[C@@H](CC)C(=O)Oc1ccc(C#N)cc1F 769738072 KHFUECYOHXWQBU-GFCCVEGCSA-N 263.312 3.819 30 20 CHED COc1ccc2cc(C(=O)OCCCCC#N)sc2c1 869576554 VPYVKIHAPNXCEU-UHFFFAOYSA-N 289.356 3.761 30 20 CHED CON=Cc1sc(Nc2ccc(C)cc2)nc1Cl 767490589 NPUPSLPMCZDVSN-UHFFFAOYSA-N 281.768 3.829 30 20 CHED C#CCN(C(=O)c1c(F)ccc(C)c1F)C1CCCCC1 766417926 YCDKTNOQZGWCAE-UHFFFAOYSA-N 291.341 3.681 30 20 CHED C/C(=C/C(=O)N[C@]1(C#N)CCc2ccccc2C1)C(C)(C)C 770111306 GAPGKGMRFHHITN-KWRJMZDGSA-N 296.414 3.546 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)OCCC(C)(C)C#N)C1 776383723 XRANOEOVFZAUPI-OLZOCXBDSA-N 251.370 3.686 30 20 CHED C[C@H](C#N)CNN=Cc1ccc(-c2cccc(F)c2)s1 771102926 KLVMXABFKJOWSI-LLVKDONJSA-N 287.363 3.637 30 20 CHED CC(C)(C(=O)OCCCCC#N)c1cccc(Cl)c1F 772483960 ASDMNYLBLUJMLR-UHFFFAOYSA-N 297.757 3.994 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 877520793 HYNZVMICQCHECC-RDTXWAMCSA-N 277.371 3.536 30 20 CHED Cc1cc(F)ncc1C(=O)OCCC1(C#N)CCCCC1 870003985 HCRKDDFIMUOOPX-UHFFFAOYSA-N 290.338 3.550 30 20 CHED CC(=NNc1nncc2ccccc12)c1cccc(F)c1F 776257701 NKXGFOYASMBVOX-UHFFFAOYSA-N 298.296 3.744 30 20 CHED Cc1ccc(C=NN[C@@H](Cc2ccccc2)C(C)C)o1 777449794 ZHBPOOUPVSQNGA-KRWDZBQOSA-N 270.376 3.779 30 20 CHED C#CCCCCCCNc1ccc(OC)c(NC(C)=O)c1 876827411 PSRHOYPXIWWTKZ-UHFFFAOYSA-N 288.391 3.649 30 20 CHED CC(C)(C#N)CCOC(=O)[C@]1(C)CCc2ccccc2C1 776390808 IIMRPRSYFOWTHX-GOSISDBHSA-N 285.387 3.665 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1ccccc1CC#N 776963676 DMGJSUTWJYXDPL-MAUKXSAKSA-N 298.430 3.722 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2c(F)cc(C#N)cc2F)CCC[C@H]1C 779276077 TXCJFESXRLTZOE-BFVZDQMLSA-N 293.313 3.818 30 20 CHED Clc1ccnc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 777905152 CFJFROODGGPUMS-XEZLXBQYSA-N 275.783 3.959 30 20 CHED C=C(CC)COC(=O)c1ccc(-c2ccco2)nc1C 773499751 ANYMMKDLDBJCSY-UHFFFAOYSA-N 271.316 3.773 30 20 CHED C=C[C@H](C(=O)N1CCC[C@@H](CCF)C1)c1ccccc1 1123928617 SAHKBUZTWQAYOV-HOCLYGCPSA-N 275.367 3.554 30 20 CHED C=CC[C@@H](C(=O)OCC[C@H]1CCCC1=O)c1ccccc1 778416987 MPBKUDAXURZKDO-HZPDHXFCSA-N 286.371 3.649 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCc3cccnc32)CCCC1 885361650 MJAUHJZLKGMGFH-OAHLLOKOSA-N 284.403 3.712 30 20 CHED C=CCCCCCON=Cc1c(C)nc2sccn12 783024868 PJPDRVKVXGASHA-UHFFFAOYSA-N 277.393 3.801 30 20 CHED CC(C)(C#N)CC(=O)Oc1cccc(Oc2ccccn2)c1 786299164 ZUSXCAFMXGWIQP-UHFFFAOYSA-N 296.326 3.719 30 20 CHED C=CCC[C@@H](NC(=O)/C=C/c1nccs1)c1ccccc1 1121022207 YGYWEKUTLRDNMV-AUECHBEKSA-N 298.411 3.980 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1F 891457097 WWNHVFGBTKYVLC-VIFPVBQESA-N 288.244 3.614 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1cc(F)ccc1O 782348593 SZVWHYOZGFKAJZ-DJWKRKHSSA-N 293.297 3.976 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(Oc3ccccc3)n2)C1 897922193 PTNWCLFPIHHGPT-KGLIPLIRSA-N 279.343 3.978 30 20 CHED C=C1CCN(C(=O)N[C@H](C)c2cccc(OCC)c2)CC1 892447420 QWNHYPRUKMSSCS-CQSZACIVSA-N 288.391 3.508 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@](C)(CCC)C1 780596829 ODWMBDOAJPNYPH-QGZVFWFLSA-N 263.425 3.999 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 783718767 ROKQPHBXYAPPAG-NVXWUHKLSA-N 286.419 3.845 30 20 CHED CN=[S@@](C)(=O)c1cccc(NCC(C)(C)CCC#N)c1 895736391 YAZIDRQEEPQDLH-FQEVSTJZSA-N 293.436 3.515 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1cccc(Cl)c1 784754776 FOJZROYZHJKERS-LLVKDONJSA-N 264.752 3.994 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc2[nH]ccc12 782943358 XMCQJUJAGJBKFC-UHFFFAOYSA-N 270.332 3.655 30 20 CHED Fc1cccc(NN=Cc2ccc3ccccc3c2)n1 795006301 LZJHXSCYAPIRSN-UHFFFAOYSA-N 265.291 3.820 30 20 CHED COc1c(C)cc(C(C)=NOCC(F)(F)F)cc1Cl 794920813 ULBXWZPWTSVMTG-UHFFFAOYSA-N 295.688 3.960 30 20 CHED CC[C@@H](COC(=O)c1cc(C#N)oc1C)c1ccccc1 797948440 RVFBYYMPZISFLD-ZDUSSCGKSA-N 283.327 3.810 30 20 CHED Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C#N 799309541 SEIFYRXEHANFDW-WBAXXEDZSA-N 296.414 3.908 30 20 CHED Cc1cc(C)c(C=NN2CCC(C(C)(C)C)CC2)[nH]1 790178811 LMCZQCSLDKKGEK-UHFFFAOYSA-N 261.413 3.724 30 20 CHED N#Cc1c(F)cc(C(=O)Nc2cccc(Cl)c2)cc1F 1135507827 MXACMZBXXIIUGE-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCC(C)(C)C(=O)OCCSc1ccccc1 796454215 AYRBRHXGKBGEAU-UHFFFAOYSA-N 264.390 3.924 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C\c1cc(C#N)cs1 799897467 VBHIEHITKAISLU-MLPAPPSSSA-N 280.352 3.729 30 20 CHED CC1(CNN=Cc2cc(F)c(F)c(F)c2)CCCC1 793090467 TWKBWVJBEANLQG-UHFFFAOYSA-N 270.298 3.608 30 20 CHED CC(Cc1ccccc1C)=NNc1ncccc1C 790191778 XZJYVTUYAGIBIT-UHFFFAOYSA-N 253.349 3.729 30 20 CHED CC(=NNc1cnccn1)c1cccc(CC(C)C)c1 794890521 CFHCMKAZEFRISZ-UHFFFAOYSA-N 268.364 3.511 30 20 CHED CC(CN1Cc2ccccc2C1)=NN[C@@H](C)c1ccccc1 792630213 URGGPGHYODXZLL-INIZCTEOSA-N 293.414 3.729 30 20 CHED C=CCOc1ccc(OC(=O)[C@H]2Cc3ccc(F)cc32)cc1 793581340 LLJGBXBHWDWZNM-KRWDZBQOSA-N 298.313 3.636 30 20 CHED CC[C@H](C)NN=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] 790180831 AXDUIUVGDSLNAO-QWHCGFSZSA-N 289.379 3.682 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCCC2)c1cncc(F)c1 792885856 WSGDTLMBACBXTL-VURMDHGXSA-N 281.330 3.996 30 20 CHED CCOC(=O)[C@@H]1CCC(=NNCC2(C)CCCC2)[C@@H](C)C1 793089073 DZGZZSYYMUAZRV-UONOGXRCSA-N 294.439 3.512 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNc1cccc(F)n1 795008959 VBHIKMVVTSWKBZ-UHFFFAOYSA-N 277.730 3.937 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H]1CCCN(CC)C1 793526206 KXLSAOPFKPBECS-SJORKVTESA-N 266.473 3.833 30 20 CHED Cc1cc(C=NNc2cccc(F)n2)ccc1Cl 795008546 KXUKMIHVHOVHIM-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC(COC(C)C)=NNc1ncnc2sc(C)c(C)c12 799868373 VYZLSDYYBQXBLY-UHFFFAOYSA-N 292.408 3.521 30 20 CHED CCc1cccc(C)c1NN=CCC1CCOCC1 799493546 GORDJHKCIDBPHO-UHFFFAOYSA-N 260.381 3.772 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CCN(CC(F)(F)F)C1 793527657 ORGUFWYDTIEHTE-KGLIPLIRSA-N 292.389 3.738 30 20 CHED C[C@H](CCC#N)CN1CC2(CCC2)c2ccccc21 1308687870 QFPUTJMMSBNPPC-CQSZACIVSA-N 254.377 3.868 30 20 CHED CCOc1cccc(Cl)c1CN1CCC[C@@](C)(C#N)C1 1307601399 HQTOGRPNHGGVHY-INIZCTEOSA-N 292.810 3.864 30 20 CHED Cc1cccc(C)c1CNc1ccc(F)cc1C#N 135201125 UNEMJMXPRBYUGA-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1ccc(NN=Cc2ccc3c(c2)CCC3)cc1 1318766943 XBQQQEAGOJWUEG-UHFFFAOYSA-N 250.345 3.930 30 20 CHED N#Cc1cc(F)c(NCCCOC2CCCC2)c(F)c1 301133335 VFHLFZRULARIMC-UHFFFAOYSA-N 280.318 3.598 30 20 CHED C=CCCCOC(=O)COc1cc(C)ccc1Cl 735524255 LWMJHRKXJXHEJK-UHFFFAOYSA-N 268.740 3.537 30 20 CHED N#CCc1cccc(N[C@H]2CCCc3sccc32)n1 1320491133 RJCPZCZCZZPJNZ-ZDUSSCGKSA-N 269.373 3.699 30 20 CHED Cc1cscc1-c1nnc(-c2ccc(C#N)cc2)o1 1324102347 VZNXNENFKUSUPC-UHFFFAOYSA-N 267.313 3.645 30 20 CHED C=C1CCN(C(=O)N[C@H](C)c2cc(C)sc2C)CC1 1336683772 CNCVIXXYJNQKFC-GFCCVEGCSA-N 278.421 3.788 30 20 CHED N#Cc1ccc(COc2cc(Cl)ccc2Cl)nc1 574229548 PBXDQKGHNYYWDJ-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CCC1(CC)CCN(Cc2ccc(OC)c(C#N)c2)C1 94802963 USLUZFMAQWTTOD-UHFFFAOYSA-N 272.392 3.579 30 20 CHED Cc1csc([C@@H](C)Nc2ccc(C#N)cc2C)n1 203505686 QNQUDIZXTFKGJI-LLVKDONJSA-N 257.362 3.805 30 20 CHED N#C[C@H](NC(=O)Cc1csc2ccccc12)C1CCCC1 1331538516 ACGQFQNNMJQKFC-HNNXBMFYSA-N 298.411 3.642 30 20 CHED CCOCCCC(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1345106628 VMFFXVVLBSZGEY-WFASDCNBSA-N 295.404 3.699 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCOC(C)(C)C1 1349560311 SYLZXVFULPLRPS-OAHLLOKOSA-N 281.440 3.834 30 20 CHED CCCC[C@@H](CC)CC(=O)[C@H](C#N)c1nccn1CC 1347339564 YNCMJNSXGDACGW-KGLIPLIRSA-N 275.396 3.686 30 20 CHED Cc1nn(C)cc1CSCc1ccc(C#N)cc1Cl 1345180098 OERQKJGWDBDUBZ-UHFFFAOYSA-N 291.807 3.687 30 20 CHED N#Cc1cc(-c2nc(-c3cccc(Cl)c3)no2)cs1 1353963756 UGJMLINGVCZCEG-UHFFFAOYSA-N 287.731 3.990 30 20 CHED N#Cc1sccc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1351146790 UCSPAZMNHLJOOD-RWMBFGLXSA-N 288.416 3.708 30 20 CHED Cc1ccc(F)cc1[C@H](C)OC(=O)c1ccc(C#N)s1 1458486445 NJDZJFHFSODNGJ-JTQLQIEISA-N 289.331 3.985 30 20 CHED Cc1sccc1C(=O)Nc1ccccc1O[C@@H](C)C#N 1520263628 PJCMMMMXNFNBPL-JTQLQIEISA-N 286.356 3.600 30 20 CHED CN(CCc1ccc(C#N)cc1)c1c(F)cccc1F 1459680865 FZLZBRJVWCEQQL-UHFFFAOYSA-N 272.298 3.515 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)c1 1462170844 MXMUYQKUZQPOJI-ZSHCYNCHSA-N 286.350 3.852 30 20 CHED C=CC[C@H](C)NCc1ccc(-c2ccc(C(=O)O)cc2)o1 1602837355 NPYMPRXAROGKNQ-LBPRGKRZSA-N 285.343 3.699 30 20 CHED C=CC[C@H](SCc1ccc(Cl)cc1)C(=O)O 1602848472 BZXGPUFIKLBSTK-NSHDSACASA-N 256.754 3.603 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1cc(C#N)ccc1F 1466923681 ZRFOWAVENAZBFI-UHFFFAOYSA-N 293.301 3.739 30 20 CHED CC[C@H](Nc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1611622806 WWUBFRJXVAMBKM-INIZCTEOSA-N 297.333 3.527 30 20 CHED Cc1cc(Br)c2ccnc(C#N)c2c1Cl 521402194 XBJRYFGYBIEWFO-UHFFFAOYSA-N 281.540 3.831 30 20 CHED CC(C)[C@@H](C)Sc1ncc(C#N)cc1Br 1612057843 ABBQBPQHDVKMAO-MRVPVSSYSA-N 285.210 3.852 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(OC)c(C#N)c1)C(C)C 1624704290 GKRYXRTYJZBECA-CQSZACIVSA-N 274.364 3.578 30 20 CHED CC1(c2cc(NC(=O)C3(C#N)CCCC3)no2)CCCC1 1623820668 XRHILSQOMLKFSX-UHFFFAOYSA-N 287.363 3.529 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1CC1(CC#N)CC1 1559589607 DPAACJYHTHRJQF-WBVHZDCISA-N 268.404 3.633 30 20 CHED C=C(C)CN(C)Cc1cc2sc(C(=O)O)cc2s1 1776139616 YELHYHMBXNJKFN-UHFFFAOYSA-N 281.402 3.669 30 20 CHED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ncc(C#N)c2ccsc12 1640428362 CAQKOZZFGFMLFO-WRSRJMLGSA-N 269.373 3.624 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(F)cc1C#N)[C@H]1CC1(C)C 1669604601 CUQSYWQUYXRUGP-CHWSQXEVSA-N 289.354 3.644 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@@H]2CCC(C)(C)C2)C1 1776153660 SDZYUXMUDQCSAP-PBHICJAKSA-N 279.424 3.556 30 20 CHED C[C@@H](N[C@H]1CCCc2occc21)c1ccc(C#N)cc1 20204237 YUPJCGFHVQHCGP-WBMJQRKESA-N 266.344 3.879 30 20 CHED CC(C)CCC1CCN(C(=O)C2(C#N)CCCC2)CC1 162866819 IJGLDXAMHWPEJC-UHFFFAOYSA-N 276.424 3.745 30 20 CHED C=CCC(CC=C)C(=O)N(CC(F)(F)F)c1ccccn1 160207336 OTUINZMAOPAKJP-UHFFFAOYSA-N 298.308 3.745 30 20 CHED CC(C)c1ccc([C@@H](NC(=O)CC#N)c2cccs2)cc1 153519576 PELFPEGLVGVGRD-QGZVFWFLSA-N 298.411 3.991 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(C(F)(F)F)ccc1C 156150258 FJGVMGCMBLNILX-NSHDSACASA-N 299.296 3.828 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 156206914 AZJQUDQFGDCVEZ-CYBMUJFWSA-N 271.404 3.706 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(O[C@@H](C)CC)cc1 157265891 ZGGFKEBGGFVPAC-STQMWFEESA-N 289.379 3.678 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccccc1)C(F)(F)F 157372533 VIGLVSVPZCUGFA-LBPRGKRZSA-N 286.297 3.508 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1C1CCCCC1 154976395 HOYHSOPLGTXZPM-MRXNPFEDSA-N 276.424 3.544 30 20 CHED COc1ccc(CN(CC#N)C2CCCC2)cc1Cl 159142187 QHZXCEVWWDNIHS-UHFFFAOYSA-N 278.783 3.617 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 159187211 NNZRUGYSKUMGKK-RDJZCZTQSA-N 288.435 3.527 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C)CC1)c1ccc(OCC#N)cc1 128561001 MONWLGXUPIJSCH-FMKPAKJESA-N 272.392 3.818 30 20 CHED CCN(Cc1cccc(C)c1Br)C[C@H](C)C#N 1653251673 IEVLVHZDDWUCHB-LLVKDONJSA-N 295.224 3.739 30 20 CHED C[C@H]1CCC[C@@H](CNCc2cc(C#N)ccc2F)C1 218940293 SPEWTDOKSFTFGF-GXTWGEPZSA-N 260.356 3.613 30 20 CHED Cc1cccc(C(=O)Nc2ccc(C#N)cc2Cl)c1F 226345671 YWGANOBOARCTEQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1cccc(NC(=O)c2cccc(Cl)c2F)c1 122242955 OILHOUWUHYBPEE-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC(C)(C)C1CCN(c2nccc(C#N)c2Cl)CC1 232491236 DMGGXMLBNCUXDA-UHFFFAOYSA-N 277.799 3.869 30 20 CHED N#Cc1ccsc1NC(=O)c1cc2ccccc2o1 7613780 MMVRIXXHAOPNRU-UHFFFAOYSA-N 268.297 3.618 30 20 CHED C[C@H](NCC1(C2CC2)CCC1)c1ccc(C#N)cc1 155042607 ORUUHDKNGXHIME-ZDUSSCGKSA-N 254.377 3.789 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 35164200 DMRSXMYXJJFSCK-IRXDYDNUSA-N 254.377 3.713 30 20 CHED N#Cc1cc(Cl)cc(OCC2CC(F)(F)C2)c1 295368562 PBPZBKCQUMIFSO-UHFFFAOYSA-N 257.667 3.636 30 20 CHED N#Cc1cc2c(nc1NCc1ccc(Cl)s1)CCC2 70213053 MHQDQRGITNGFCY-UHFFFAOYSA-N 289.791 3.769 30 20 CHED CC(C)(C#N)CCCCN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 311991142 FMDIVDAZZUBCHK-YHUYYLMFSA-N 260.425 3.684 30 20 CHED Cc1nc(NC[C@H]2Cc3ccccc32)c(Cl)cc1C#N 312538808 KVBKUGFGOPPQNT-CYBMUJFWSA-N 283.762 3.667 30 20 CHED N#Cc1cc(Cl)cc(OCc2cccc(C#N)c2F)c1 312932061 FSZSLEACLUXDQD-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CC[C@@H]1CCC[C@@H](NCCc2cccc(C#N)c2)C1 466425848 PSLQICZNRSQVHB-RHSMWYFYSA-N 256.393 3.659 30 20 CHED CCOCCCOc1ccc(C#N)c2ccccc12 419049524 BZDVQGGKKIRSSZ-UHFFFAOYSA-N 255.317 3.517 30 20 CHED C[C@H]1CC(Nc2ccc(OCC#N)cc2)C[C@H](C)C1 84462818 NMEKBMYSLXPIEG-CHWSQXEVSA-N 258.365 3.826 30 20 CHED C=CCC1(NCc2ccc(OC)c(OC)c2)CCCC1 657702711 OOTLAQCVLCILGI-UHFFFAOYSA-N 275.392 3.682 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1c(C)nn(CC)c1C 657869449 WUXCLIDXLODULK-DOTOQJQBSA-N 275.440 3.744 30 20 CHED CCCc1nc(CN2CCC(CCC#N)CC2)cs1 563067634 IQZSXMAYOFZRJS-UHFFFAOYSA-N 277.437 3.611 30 20 CHED C=CC(C)(C)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)O 384867221 PYNUKJKGROHOOC-UHFFFAOYSA-N 298.726 3.571 30 20 CHED Cc1cc(F)ccc1COc1cc(F)cc(C#N)c1 388576592 IHOPKJGJPXACFA-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1cccc(C#N)c1 424144094 RQFDIANQJYIIQF-ZLIFDBKOSA-N 254.377 3.645 30 20 CHED Cc1ccnc(N[C@@H](c2ccccc2)C2CC2)c1C#N 343448269 ZQUYNKWAHMODBX-INIZCTEOSA-N 263.344 3.825 30 20 CHED CCC1(C)CCN(Cc2ccc(F)cc2C#N)CC1 343735036 PKZJVNOLBWMPPI-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CCCCCCCCN1CCCCC[C@H]1C(=O)O 114347701 IRDSCISPXXLUQN-AWEZNQCLSA-N 255.402 3.676 30 20 CHED N#CCc1cccc(-c2nc(-c3cccs3)no2)c1 171782185 YWCKKAHMTKSWOQ-UHFFFAOYSA-N 267.313 3.531 30 20 CHED Cc1cc(C)cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 116808304 VPVVEDCNFITUBF-YVEFUNNKSA-N 270.376 3.506 30 20 CHED CC(C)CC(=O)Nc1ccc(NCc2ccc(C#N)o2)cc1 174287500 MRCRJPPTBGEIPU-UHFFFAOYSA-N 297.358 3.748 30 20 CHED Cc1cscc1C(=O)N[C@@H](C#N)c1ccccc1Cl 176680057 RWTTYFVGIMWREF-ZDUSSCGKSA-N 290.775 3.705 30 20 CHED CCC1(CC)[C@@H](Nc2snc(Cl)c2C#N)C[C@H]1OC 301728647 WGMLRGQLTVSHCJ-VHSXEESVSA-N 299.827 3.674 30 20 CHED C#CCCCOC(=O)c1sc(Cc2ccccc2)nc1C 303115132 CXEYWNDFLUHGOM-UHFFFAOYSA-N 299.395 3.613 30 20 CHED CC(C)(CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 301787603 XGAXQAXVFIKUQO-UHFFFAOYSA-N 295.342 3.856 30 20 CHED C/C(=C\C(=O)O[C@@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 179992206 QMDYKBVFTSESBU-QBSXNGMFSA-N 289.762 3.979 30 20 CHED Cc1cc(Oc2ccc(Cl)c(C#N)n2)ccc1F 301676973 CSOCUXQZTDKWAT-UHFFFAOYSA-N 262.671 3.847 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CC(C)(C)c2ccccc2)C1 116801177 WNOFJWXVGNYPJE-BEFAXECRSA-N 298.430 3.943 30 20 CHED C[C@@H](CN(C)c1ccc(C#N)c(Cl)c1)c1nccs1 302142316 JUWNNKUYCWRODA-JTQLQIEISA-N 291.807 3.908 30 20 CHED C=CCCC(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 173495436 QUDCHHOHMQKGSN-SJLPKXTDSA-N 287.403 3.545 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1snc(Cl)c1C#N 301697437 BWBXMIQJPUQRAZ-IUCAKERBSA-N 287.841 3.754 30 20 CHED CCCOc1ccc(NC(=O)c2cc(C#N)cs2)cc1 179388801 DSRNARPYAVSAGU-UHFFFAOYSA-N 286.356 3.661 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N(CC)C[C@H](C)C#N 110634551 SDFCPBNWOJFXQB-HIFRSBDPSA-N 290.432 3.565 30 20 CHED N#Cc1ccnc(Oc2cccc3c2CCCC3)c1[N+](=O)[O-] 301678665 UGSFCAGJTXLRDI-UHFFFAOYSA-N 295.298 3.533 30 20 CHED C#Cc1cccc(NC(=O)Nc2cccc3[nH]ccc23)c1 172209485 KQRKSIQGZKOCGM-UHFFFAOYSA-N 275.311 3.793 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(C(C)C)nc2)s1 121638358 VQGSOCSUALRGKV-UHFFFAOYSA-N 299.399 3.953 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1F 182592287 XGSAJUMTWNUIKK-KBPBESRZSA-N 277.383 3.865 30 20 CHED CCC[C@H](C(=O)Nc1ccc(F)c(C#N)c1)C(C)C 479754227 VSCLMBBOXDGWIT-ZDUSSCGKSA-N 262.328 3.708 30 20 CHED C=CCCC(=O)N1CCc2c1cccc2C(F)(F)F 185766185 UCMOFLAFWAPVKU-UHFFFAOYSA-N 269.266 3.561 30 20 CHED CCNc1nnc(S[C@H](C)c2cccc(C#N)c2)s1 189817849 PAZABPWEUBQXJJ-SECBINFHSA-N 290.417 3.695 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC2(c3ccccc3)CCC2)C1 185771674 BUMCPONOYZZMLX-NVXWUHKLSA-N 268.404 3.780 30 20 CHED Cc1ccsc1CN[C@H](C)c1ccc(C#N)cc1 35256376 RRPOJCPDOYYMLI-GFCCVEGCSA-N 256.374 3.779 30 20 CHED Cc1ccc2ncc(CN(CC#N)C3CCCC3)cc2c1 411293982 OXVAGHWJWKVIMN-UHFFFAOYSA-N 279.387 3.811 30 20 CHED N#CCCN(CCC1CCCCC1)Cc1ccccn1 361563340 GDKZZXMYXMDOOE-UHFFFAOYSA-N 271.408 3.768 30 20 CHED N#Cc1cccc(CNc2ccc(Cl)c(F)c2)c1 37069957 NOILEBRDFZLTAQ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CCO[C@H](C(C)C)C1 500974613 PIFRWOVHKDDJHU-PBHICJAKSA-N 288.391 3.572 30 20 CHED CO[C@H]1Cc2ccccc2N([C@@H](C)c2ccc(C#N)cc2)C1 502508214 COMAHJOZNUQBDM-KSSFIOAISA-N 292.382 3.697 30 20 CHED C[C@H](Nc1ccc(CC#N)cc1)c1ccccc1[N+](=O)[O-] 37071388 KJFNETOIHLRMHW-LBPRGKRZSA-N 281.315 3.834 30 20 CHED CCc1nnc(NC2C[C@@H](C)C[C@H](C)C2)c(C#N)c1CC 124987859 VYPJLRXRMQYJOR-RYUDHWBXSA-N 286.423 3.710 30 20 CHED C=CCC[C@@H](C(=O)NC[C@@H]1CCCS1)c1ccccc1 188522353 MWYRNJCZPIKMKP-JKSUJKDBSA-N 289.444 3.748 30 20 CHED N#CC1(CCn2ccc3sccc3c2=O)CCCCC1 418950531 PEQHIRMSRHKYPQ-UHFFFAOYSA-N 286.400 3.927 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1nc(C)c(C)o1 414421155 YQJBDHZZBXUCPF-HNNXBMFYSA-N 299.374 3.600 30 20 CHED CC(C)C[C@@H](C)NCc1cccc(OCCCC#N)c1 127682068 DVHRIPCVZCOLJA-OAHLLOKOSA-N 274.408 3.893 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)CC1CCCCC1 72565003 PEYJEWVRDXKRCJ-KBPBESRZSA-N 264.413 3.601 30 20 CHED COc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)c1 315911175 SBJCFMHZRFQLOR-LLVKDONJSA-N 297.314 3.648 30 20 CHED C[C@@H](NC(=O)CCCc1cccs1)c1cccc(C#N)c1 75270068 FRBHHDOZNSAGAL-CYBMUJFWSA-N 298.411 3.820 30 20 CHED C=CCOc1ccc(CC(=O)N2[C@@H](C)CCC2(C)C)cc1 411076672 RDULJZANAPLXBD-AWEZNQCLSA-N 287.403 3.583 30 20 CHED C=CCCCC(=O)N1CCC(c2ccsc2)CC1 188009837 YHEMKMIZNMNWLW-UHFFFAOYSA-N 263.406 3.810 30 20 CHED C=C(C)CNC(=O)c1cc2ccccc2c2cccnc12 188827403 BFWADNUSIDHAHY-UHFFFAOYSA-N 276.339 3.694 30 20 CHED Cc1cc(/C=C\C(=O)c2ccccc2)cc(C)c1O 211358263 JUQQCXDIMXXQBS-HJWRWDBZSA-N 252.313 3.905 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(F)c(F)c1 186317699 XIIPLJLKVXRMFV-LBPRGKRZSA-N 286.325 3.996 30 20 CHED C=CCn1c(SCC[C@H](C)F)nnc1-c1ccccc1 505443086 CAKKDSUIDZUTRC-LBPRGKRZSA-N 291.395 3.971 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)OC1CCCCCC1 410124464 WOFMSAWJGAYRON-ZIAGYGMSSA-N 267.413 3.585 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(C(F)(F)F)c1 77178743 VOVTUGSSGJJDSU-UHFFFAOYSA-N 278.661 3.579 30 20 CHED C=CCc1ccc(OC(=O)c2cc(CC)ccn2)c(OC)c1 180127993 MQWDOFNDTNVWLL-UHFFFAOYSA-N 297.354 3.600 30 20 CHED C[C@@H](NCc1cccc2[nH]ccc12)c1ccc(C#N)cc1 70939085 CVVDQBATRUNBFY-CYBMUJFWSA-N 275.355 3.890 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCc2cccc(F)c21 509121472 IGDFRXRPDURHDA-UHFFFAOYSA-N 294.329 3.599 30 20 CHED Cc1csc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1 416098589 KIAABCAWZKNBHG-OAHLLOKOSA-N 296.395 3.736 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(C)c2c[nH]nc2c1 501370515 BVZODXOQMMIACP-GFCCVEGCSA-N 286.379 3.738 30 20 CHED C[C@@]1(C(O)=Nc2ccc3ccccc3n2)CCC(O)=NC1 329275139 KRLMGDGOWREDTQ-MRXNPFEDSA-N 283.331 3.579 30 20 CHED C=CCN(C(=O)c1cc(C)cc(Br)c1)C1CC1 131276166 BXAKQRLKODQIQA-UHFFFAOYSA-N 294.192 3.548 30 20 CHED Cc1ncccc1/C=C1\CCc2ccc([N+](=O)[O-])cc2C1=O 193156194 XRLSJIKWEYUYKO-NTEUORMPSA-N 294.310 3.511 30 20 CHED C#CCCCC(=O)NCc1cccc(Oc2ccccc2)c1 192075165 SDGFCSDHWVSJNP-UHFFFAOYSA-N 293.366 3.899 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CC[C@@H](SC)C1)c1ccccc1 136198153 FTVIHYMWZOFDJU-VNQPRFMTSA-N 289.444 3.747 30 20 CHED CCC[C@H](CC)NC(=O)Nc1cc(C#N)ccc1C 194583183 VUBSCICXDXDDKI-ZDUSSCGKSA-N 259.353 3.567 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 424843873 CHYVRXHIWGCAJN-CQSZACIVSA-N 273.376 3.731 30 20 CHED C=CCSCCNC(=O)CC[C@@H](C)c1ccccc1 131032523 KZCULSJKXACXAK-CQSZACIVSA-N 277.433 3.606 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425637820 MBZHFMMLUHANCP-DYVFJYSZSA-N 270.376 3.680 30 20 CHED Cc1nc(CC/N=C(/O)CC2=CCCCC2)c(C)o1 328813176 BQDOLEMREPUEFG-UHFFFAOYSA-N 262.353 3.681 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]1(C)CCC[C@H]1C 425641451 VOUKMVGJKPXECQ-LBTNJELSSA-N 284.403 3.904 30 20 CHED CC(C)CCCCC/C(O)=N/S(=O)(=O)C1CCCC1 86055615 WNLFUSMYIJHKED-UHFFFAOYSA-N 289.441 3.822 30 20 CHED CC1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 80909645 SRUFJOIKYKCJRF-UVSGXRLASA-N 296.414 3.747 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N1CCc2c(C#N)cccc21 421658077 RCLZIFPWJOLIMF-XJKSGUPXSA-N 282.387 3.664 30 20 CHED Cc1sc(N=C(O)[C@@H]2CCC(=O)C[C@H]2C)c(C#N)c1C 329261616 FWEQVUGZDYSTTL-PRHODGIISA-N 290.388 3.830 30 20 CHED C[C@@H]1CCC[C@@H](C/C(O)=N/Cc2nnc(C3CC3)o2)C1 329252852 CBWPISQOKQEFBO-GHMZBOCLSA-N 277.368 3.620 30 20 CHED N#Cc1ccccc1OCc1ncccc1C(F)(F)F 428077996 YOPZGZGLPLEKRU-UHFFFAOYSA-N 278.233 3.551 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1 48074065 POTOIKGZDVWUMZ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC(=O)c1ccc(NCc2cccc(F)c2C#N)cc1C 427426209 AOSJOLGSPMSVRM-UHFFFAOYSA-N 282.318 3.821 30 20 CHED C=CCCC1(c2nc(-c3n[nH]c4ccccc34)no2)CC1 516604491 TYRZDSAETBBHMW-UHFFFAOYSA-N 280.331 3.611 30 20 CHED C#CCCCC(=O)N[C@H](CC1CCC1)c1ccccc1 190614303 HYZXSCDTKAULOM-QGZVFWFLSA-N 269.388 3.838 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2ccc3ccccc3n2)CCC1=O 328911596 GMOAZHFMMSUQQD-YPMHNXCESA-N 282.343 3.828 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2csc(Cl)c2)n1 191371848 DGPHJZKRDKGABH-QMMMGPOBSA-N 282.777 3.657 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[C@@H](C)C1 425128846 LAWJSOKZIGSFQE-WWGRRREGSA-N 270.376 3.514 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1C[C@@H]1C 514975378 ZARMHBCMJPOCCH-YOEHRIQHSA-N 284.403 3.589 30 20 CHED CCSCc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 86299342 LUIYYTNIUSQXCT-GFCCVEGCSA-N 291.420 3.706 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(OC)cc2)no1 191166905 XMGJZPVWGVBBAE-INIZCTEOSA-N 272.348 3.523 30 20 CHED N#Cc1ccc(NCCCC(F)(F)F)c(Cl)c1 149423734 XKTJWATZNKEPNS-UHFFFAOYSA-N 262.662 3.966 30 20 CHED CCCCCCCC(=O)N1CCSC[C@@H](C)C1 191218381 SUKLAPOAJDOQLW-ZDUSSCGKSA-N 257.443 3.558 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(C#N)c(F)c1 192136328 SCKYLJFXGDTSJZ-QGZVFWFLSA-N 283.350 3.675 30 20 CHED C[C@H]1CCN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC1(C)C 336010737 MCNYQKVQENZTQU-SWLSCSKDSA-N 285.391 3.503 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(Cl)cc1OC 421839660 YEGOTDLNFNJAGX-LBPRGKRZSA-N 283.799 3.592 30 20 CHED CC(C)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] 424194351 LLGCJEPPNFIFIL-GXTWGEPZSA-N 287.363 3.500 30 20 CHED C=C(C)CN(CC)C(=O)CCCc1ccc(C)s1 429930169 HUIBGFIJWOZUDF-UHFFFAOYSA-N 265.422 3.804 30 20 CHED Cc1ccc(F)cc1NC(=O)[C@H](C)c1cccc(C#N)c1 334987300 LEDPUHSPHOJJAO-GFCCVEGCSA-N 282.318 3.748 30 20 CHED N#Cc1ccc(NC(=O)N2Cc3ccccc3C2)c(Cl)c1 335729824 VPLOOUIYVZBQBH-UHFFFAOYSA-N 297.745 3.759 30 20 CHED C[C@H](C(=O)N[C@@H]1CCC12CCCC2)c1cccc(C#N)c1 335386315 IOYPKQUNTAYUJA-XJKSGUPXSA-N 282.387 3.501 30 20 CHED CC(C)c1ccc(CCN[C@@H]2CC[C@H](C#N)C2)cc1 425345520 ACLJZKQQCVZYGC-DOTOQJQBSA-N 256.393 3.634 30 20 CHED CC(C)c1occc1C(=O)Nc1cccc(C#N)c1 335757681 IXLBQHUMFRWJHR-UHFFFAOYSA-N 254.289 3.527 30 20 CHED CN(C(=O)Cc1ccc(C#N)cc1)C1CCC(C)(C)CC1 94820081 JZTWRSFWKNHROM-UHFFFAOYSA-N 284.403 3.528 30 20 CHED N#CCc1cccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 332600531 NFAWYAQYOIWPMG-JFIYKMOQSA-N 296.414 3.841 30 20 CHED C=CCC(C)(C)CNc1c([N+](=O)[O-])ccc2c1CCN2 432137731 FXBUHUSENDORHK-UHFFFAOYSA-N 275.352 3.577 30 20 CHED Cc1nsc(NC[C@]2(C)C[C@H]2c2ccccc2)c1C#N 338738590 HCPODGNDUGKXSO-HOCLYGCPSA-N 283.400 3.929 30 20 CHED N#CCc1ccccc1NC(=O)CCCOc1ccccc1 339172596 XJCAEEIDBNSHDJ-UHFFFAOYSA-N 294.354 3.550 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1C 336100386 HKPQENIMZQQQCC-CYBMUJFWSA-N 262.328 3.707 30 20 CHED C=CCOCCN[C@H](CC(C)C)c1ccccc1OC 339077720 VDFCQHQLNPLYFJ-MRXNPFEDSA-N 277.408 3.575 30 20 CHED CN(C(=O)[C@H](C#N)CCc1ccccc1)C1CCCCC1 433234158 QTFNBCXUPBVYKX-INIZCTEOSA-N 284.403 3.550 30 20 CHED CC(C)[C@H]1CN(Cc2ccccc2)CCN1CCCCC#N 528604686 GQNFUDSSRYOAJH-LJQANCHMSA-N 299.462 3.523 30 20 CHED COc1cccc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 336359341 LHJLSLNUSCQABH-WMLDXEAASA-N 284.403 3.567 30 20 CHED C=C[C@@H](C)NCc1ccc(OCc2csc(C)n2)cc1 237401942 RTFAMCHPNHRGKM-GFCCVEGCSA-N 288.416 3.695 30 20 CHED C=CC1CCN(C(=O)c2cc3cccc(C)c3o2)CC1 521095675 NLZWGVYTRFFRQG-UHFFFAOYSA-N 269.344 3.779 30 20 CHED N#Cc1ccccc1OCc1ccc(C(F)(F)F)cn1 340600679 OMAHWDYOUBNQQH-UHFFFAOYSA-N 278.233 3.551 30 20 CHED C=CCC(C)(C)c1noc(C2(CCOCC)CCC2)n1 340820419 KOZSVYBUAFAAGD-UHFFFAOYSA-N 278.396 3.772 30 20 CHED C=CCCCNC(=O)c1ccc(SC2CC2)cc1 344583194 WURPCYOAZPAJHY-UHFFFAOYSA-N 261.390 3.637 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCC[C@@H]1CCCF 348208986 VTAWFZIFGGGNJZ-ZIAGYGMSSA-N 254.393 3.824 30 20 CHED Cc1cc(C)cc(OCCN(C)Cc2cccc(C#N)c2)c1 248032831 IQVALHSKWROGAG-UHFFFAOYSA-N 294.398 3.686 30 20 CHED C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)C(C)C 522594177 FAOOYOLZOQLCHD-GDBMZVCRSA-N 274.408 3.690 30 20 CHED C=CCC1(c2nc([C@@H]3COc4ccccc4O3)no2)CCC1 347090013 GMPMZBRZXYWRRE-AWEZNQCLSA-N 298.342 3.580 30 20 CHED C=CCCSc1n[nH]c(=Nc2cccc(F)c2)s1 606754595 KUEXFCDZSZFOCQ-UHFFFAOYSA-N 281.381 3.511 30 20 CHED C[C@@H](CCC#N)CNCCCCOc1ccc(F)cc1 602510776 OCSILPPFBVSPPN-AWEZNQCLSA-N 278.371 3.514 30 20 CHED CC#CCCSC[C@H](OC)c1ccc(F)cc1 600634221 DRGOBZGOOUVHJD-AWEZNQCLSA-N 252.354 3.660 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1 255437024 KWYAITPMBOZAMJ-WDZFZDKYSA-N 297.310 3.637 30 20 CHED CC[C@H](NC(=O)C(C#N)(CC)CC)C1CCCCC1 52343223 NVZMNQCNVKHYBZ-AWEZNQCLSA-N 264.413 3.791 30 20 CHED Cc1ccc(-c2ccc([C@H]3NC(=O)C3(C)C)cc2)cc1C#N 600795551 ZAYPKHOWESIYPP-QGZVFWFLSA-N 290.366 3.731 30 20 CHED CCOc1cccc([C@H](C)NC[C@H](C)CCC#N)c1 602530155 DWVAYWNDJHDYAV-KGLIPLIRSA-N 260.381 3.676 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2ccccc2F)CCCC1 604880825 XJXBLTTULXYPJA-CYBMUJFWSA-N 275.367 3.718 30 20 CHED CC(=O)c1c(F)cc(F)cc1OCc1ccccc1C#N 344710847 MXDOKEJAPPSOHR-UHFFFAOYSA-N 287.265 3.618 30 20 CHED CC[C@@H](CC#N)Nc1ncnc2sc3ccccc3c12 440670719 VNVVHEZODGYHJF-JTQLQIEISA-N 282.372 3.949 30 20 CHED N#CCN(C(=O)CCc1cccc(Cl)c1)c1ccccc1 523305434 HWQKDXIUCQAYAP-UHFFFAOYSA-N 298.773 3.829 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)C1CCCC1 602576561 OCZXIHYYFFMEKP-OAHLLOKOSA-N 292.467 3.891 30 20 CHED C=CCC1(C(=O)N(C)Cc2cnc(C)s2)CCCCC1 448733430 FXIFOKPCHQJEGK-UHFFFAOYSA-N 292.448 3.937 30 20 CHED CCc1ccc(C(C)(C)CN[C@H]2CC[C@@H](C#N)C2)cc1 442799210 ZQZMVICJFKMBJJ-WBVHZDCISA-N 270.420 3.808 30 20 CHED N#Cc1ccc(-c2cc(C(F)(F)F)nn2C2CC2)cc1 601945614 VOFFPCSOEZDDRS-UHFFFAOYSA-N 277.249 3.775 30 20 CHED CCN(C[C@H](C)C#N)C[C@H](C)c1cc(F)cc(F)c1 449013077 ATLFDVOAGNTOFN-NEPJUHHUSA-N 266.335 3.550 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCO[C@@H](C2CC2)C1 449252919 UJWUOBKZGJJWET-NUEKZKHPSA-N 251.414 3.669 30 20 CHED C[C@H]1C[C@@H](CC(=O)Nc2cc(CC#N)ccn2)CC(C)(C)C1 531670194 RZNYBMILVQJNQJ-ZFWWWQNUSA-N 299.418 3.939 30 20 CHED C[C@H]1CC/C(=C\C(=O)N[C@H](CCC#N)c2ccccc2)C1 269621423 QTPZUJVWTJKKIA-KFZAQANCSA-N 282.387 3.894 30 20 CHED C=CCN(Cc1ccc(OCc2cccnc2)cc1)C1CC1 357551806 LIAQXFBIKKHSIF-UHFFFAOYSA-N 294.398 3.811 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cc2cc(Cl)ccc2o1 538407211 PAJCCHQKXSUUOH-VXGBXAGGSA-N 293.794 3.921 30 20 CHED CCN(CCC1CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 355182526 QVPQQHRXRDEONQ-KRWDZBQOSA-N 299.418 3.863 30 20 CHED Cc1nn(C)c2cc(NCc3ccc(C#N)cc3F)ccc12 359841223 DUKKUNWSYVMHDI-UHFFFAOYSA-N 294.333 3.505 30 20 CHED C=CCCCC[C@H](C)NC1CCC(C(=O)OCC)CC1 611442935 TUEFVDFPIHBTLH-FHERZECASA-N 281.440 3.833 30 20 CHED C=CC[C@@H]1N(C(=O)NC[C@H]2CCCS2)CCCC1(C)C 445106579 GAHXWVFXHXBCTR-KGLIPLIRSA-N 296.480 3.658 30 20 CHED C=CCN(C(=O)Nc1c(C)cc(OC)c(C)c1C)C1CC1 352909908 NPRHYAMRWXOOEM-UHFFFAOYSA-N 288.391 3.803 30 20 CHED CCOC(=O)C[C@@H](C)S[C@@H](C)c1cccc(C#N)c1 442912630 KPPYTJQHBHBPBX-NEPJUHHUSA-N 277.389 3.694 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(Cl)o3)no2)s1 350913209 YCFJOGACFSZCRA-UHFFFAOYSA-N 277.692 3.583 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C 538553020 YUTCOERXWTUMQE-IHRRRGAJSA-N 269.429 3.543 30 20 CHED N#CC1(F)CCN([C@@H]2CCc3c(Cl)cccc32)CC1 352489860 DPHKZRLLYSJAEQ-CQSZACIVSA-N 278.758 3.655 30 20 CHED CN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCc2ccccc21 530671382 FDFYFBQJALFEQD-OAHLLOKOSA-N 296.395 3.769 30 20 CHED CN(C(=O)Nc1ccccc1C#Cc1ccccc1)C1CC1 351689827 CCWUTCFPPJIHFW-UHFFFAOYSA-N 290.366 3.713 30 20 CHED CCCC(C)(C)NC(=O)C[C@H](CC#N)c1ccccc1 355480516 XREMIHOQVBJGIF-HNNXBMFYSA-N 272.392 3.769 30 20 CHED CC(C)(C/N=C(/N)Nc1cc(F)ccc1F)C1CCC1 263086031 IGYRWHDEMWWAJP-UHFFFAOYSA-N 281.350 3.518 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@H]1c1cccc(Cl)c1 357666592 YVUSXCMNZDYQBP-JSGCOSHPSA-N 269.735 3.575 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(NC(C)=O)cc1 358424085 HRVBEBRGDRHLKO-AWEZNQCLSA-N 274.408 3.870 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCc2ccc(C#N)cc21 612483240 BCVTUQVZOAJHSV-ZDUSSCGKSA-N 284.403 3.910 30 20 CHED CCN(C[C@H](C)C#N)C[C@@H](C)c1cc(F)cc(F)c1 449013091 ATLFDVOAGNTOFN-VXGBXAGGSA-N 266.335 3.550 30 20 CHED Cc1ccnc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 616757989 UTJXJJGEKVDFMJ-RTBURBONSA-N 291.398 3.662 30 20 CHED C=C1CCN(C(=O)c2cc3ccccc3s2)CC1 264168083 LGUYIVXOAGBKIR-UHFFFAOYSA-N 257.358 3.694 30 20 CHED CC(C)[C@H]1N(C(=O)c2ccc(C#N)cc2)CC12CCCC2 457154208 AARDHPSHGPUDTC-MRXNPFEDSA-N 282.387 3.599 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCCC1(F)F 450170048 CAQZLCPETRWNHK-LBPRGKRZSA-N 278.302 3.631 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2ccccc2c1 451605328 JOYHAALTRSCLGB-XWIAVFTESA-N 267.372 3.834 30 20 CHED C=CCC1(C(=O)N(C)C[C@@H](C)c2nccs2)CCCC1 450578359 WURAGUIVFRXZMR-CYBMUJFWSA-N 292.448 3.842 30 20 CHED CC(C)Oc1ccc(NC(=O)NCC(C)(C)CC#N)cc1 459225102 BODXOVUZYTYEQM-UHFFFAOYSA-N 289.379 3.535 30 20 CHED C=CC[C@@H](C(=O)N(C)C1CC(C)(C)C1)c1ccccc1 458188252 PBBGZBDOTVTNDI-MRXNPFEDSA-N 271.404 3.993 30 20 CHED Cc1ccc(Cl)c2ccc(NC(=O)[C@@]3(C#N)C[C@H]3C)nc12 450421187 SHUBYQYQMGGEOM-QLJPJBMISA-N 299.761 3.685 30 20 CHED C=CCCC1(C(=O)Nc2cncc(Cl)c2C)CC1 452226443 ZEINOUKEXZQSTC-UHFFFAOYSA-N 264.756 3.728 30 20 CHED CC[C@@H](NCc1nc(C)cs1)c1ccc(C#N)cc1 278188439 FEIHAXSRPUUGNC-CQSZACIVSA-N 271.389 3.564 30 20 CHED C=C(C)CCN[C@H](c1ccccc1)c1nccs1 274782368 LCIRRYIRJDNIIM-CQSZACIVSA-N 258.390 3.788 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3O[C@@H](C)C2)CCCC1 452117032 DMOPPGHHINMNKC-HNNXBMFYSA-N 299.414 3.933 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC=C(c2ccccc2)C1 455384409 MHJNQWFLGYBJHJ-UHFFFAOYSA-N 284.403 3.698 30 20 CHED Cc1cccc(C)c1CN(C)Cc1cc(C#N)ccc1F 540507551 DXLAVMYZIBTBSS-UHFFFAOYSA-N 282.362 3.946 30 20 CHED C=CCCc1noc(-c2cc3ccc(OCC)cc3[nH]2)n1 453246931 LQHPTEFRILBKLQ-UHFFFAOYSA-N 283.331 3.735 30 20 CHED C=C[C@H](C)NC(=O)C1(c2cccc(Cl)c2)CC(C)C1 450096047 FIZTWKUFVCIYEO-BGMSHATGSA-N 277.795 3.698 30 20 CHED CSC[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 360646702 JZJRJMMNITVUQR-BLLLJJGKSA-N 274.433 3.667 30 20 CHED CCc1ccc(CN(C)c2nc3c(cc2C#N)CCC3)cc1 549180942 DJUNIJRFUGQWJE-UHFFFAOYSA-N 291.398 3.641 30 20 CHED C=CCCCc1nc(-c2cnc3ccccc3c2)no1 545699671 AZLRTQKMQYUCDY-UHFFFAOYSA-N 265.316 3.794 30 20 CHED CO[C@]1(C)C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1(C)C 540708258 PJWQDYCDGOPJQK-XNJJOIOASA-N 290.382 3.552 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(CC2(C#N)CCC2)C1 450438524 KQCYFUMVYYIVHT-CJNGLKHVSA-N 272.367 3.902 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccccc2CC)no1 273630902 AKWFKVDWUSUYMW-GFCCVEGCSA-N 272.348 3.953 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCC1CCC1 360647607 NIMNNQIQGWAKAV-QGZVFWFLSA-N 254.377 3.715 30 20 CHED CC(C)(C#N)CC(=O)Nc1nc2cc(Cl)ccc2s1 278165479 AXDUDDHSQOVIRD-UHFFFAOYSA-N 293.779 3.828 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC(C)(C)[C@H]2C2CC2)cc1 367973854 QRYMPKJZYPPULQ-SUMWQHHRSA-N 284.403 3.598 30 20 CHED CC1(C)CCCN(C(=O)c2cccc(C(F)F)c2)[C@H]1C#N 278078584 XPUYREJKRVJMIW-ZDUSSCGKSA-N 292.329 3.779 30 20 CHED CC(C)(C#N)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 540970002 YCNRMMHAGRZTSD-NEPJUHHUSA-N 297.185 3.515 30 20 CHED CN(CCc1ccc(Cl)cc1)CCC(C)(C)C#N 543702882 VKKMIFJALIOEIO-UHFFFAOYSA-N 264.800 3.754 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(CC)C[C@H](C)CC 460552877 ASATXSKSOMALJP-CYBMUJFWSA-N 276.428 3.604 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)c(OC)cc1C 467902000 YVUUXZWCRSXXSI-OAHLLOKOSA-N 265.328 3.684 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@@H](OC)c1ccc(OC)cc1 542705942 LUBTXOWYAFEYOG-JJRVBVJISA-N 277.408 3.716 30 20 CHED C[C@H](C#N)CNC(=O)N[C@H](CC(C)(C)C)c1ccccc1 542878544 XFYWPEORJKARQG-UKRRQHHQSA-N 287.407 3.623 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H]1C(C)C 460563908 KVSQMLCCRACTAC-GJZGRUSLSA-N 290.455 3.993 30 20 CHED CC[C@@]1(C)CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 465649889 BWZPWLDQGUIPFJ-KSSFIOAISA-N 299.418 3.841 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@](C)(CC)C1 468261814 NVQGBLCPUCXVMI-KRWDZBQOSA-N 273.376 3.514 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(c2ccnc(C#N)c2)C1 286367293 LEWPIGLTSXZGJT-DYVFJYSZSA-N 263.344 3.541 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1ncc(C#N)cc1C 551522745 VKANVIFHZXVQGL-AWEZNQCLSA-N 287.407 3.598 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)c(Br)c1 464550439 PCIOWGCZLINJFK-UHFFFAOYSA-N 294.192 3.890 30 20 CHED C=CCC[C@H](NCC1(C)CCN(C)CC1)c1ccco1 285917931 CGSYMGIEPFAMKS-HNNXBMFYSA-N 276.424 3.608 30 20 CHED C=CCC(CC=C)C(=O)NCCc1cc(C)cc(C)c1 467326794 YNHFSPFCVZAMCU-UHFFFAOYSA-N 271.404 3.731 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1cccc2ccsc12 464712081 NZUBAFQXFIIWGM-GFCCVEGCSA-N 272.373 3.569 30 20 CHED Cc1ccc2oc(N3CCc4ccc(C#N)cc43)nc2c1 555712522 OXTZGGAZODSKRX-UHFFFAOYSA-N 275.311 3.702 30 20 CHED Cc1ncc(CSCCCC2(C#N)CCOCC2)s1 281777015 HAUIQUAVSAXJRS-UHFFFAOYSA-N 296.461 3.785 30 20 CHED N#Cc1ccc(CNC(c2ccccc2)c2ccccc2)nc1 554071991 CUUZJDYHHGFOHF-UHFFFAOYSA-N 299.377 3.832 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 465666609 WBVJRDJEKZVJAP-ZBFHGGJFSA-N 299.418 3.697 30 20 CHED CCC(CC)CNC(=O)Nc1cc(C#N)cn1C(C)(C)C 557042380 PNFHSPAXMOAZER-UHFFFAOYSA-N 290.411 3.672 30 20 CHED Cc1nsc(NCc2nc(C(C)(C)C)cs2)c1C#N 289010546 XEYBASGMXOJKGU-UHFFFAOYSA-N 292.433 3.689 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](Cc1ccccc1)C1CC1 551319768 VSNUGDCTOAGSQS-MRXNPFEDSA-N 271.404 3.726 30 20 CHED Cc1oc(C#N)cc1C(=O)N1c2ccccc2SC[C@@H]1C 280982146 NKCJHGCSBGNHNI-JTQLQIEISA-N 298.367 3.601 30 20 CHED C=CCN(CCc1ccccc1)CC[C@H](O)c1ccccc1 808712247 BMACMDNNTGOOIG-FQEVSTJZSA-N 295.426 3.841 30 20 CHED C=CCC[C@H](O)CN(CC=C)Cc1ccc(Cl)s1 472768218 HNUFUBPLKCTCRU-LBPRGKRZSA-N 285.840 3.717 30 20 CHED C#Cc1cc(F)c(NCCCCC2CCOCC2)c(F)c1 802745594 FPVASEDZYCNLJQ-UHFFFAOYSA-N 293.357 3.955 30 20 CHED CC[C@@H](NCC(C)(C)c1ccccn1)c1ccc(C#N)cc1 297419453 UPKHGSDSUHCTJQ-QGZVFWFLSA-N 293.414 3.972 30 20 CHED N#CCc1cccc(C(=O)N(CC2CCCCC2)C2CC2)c1 298869327 PXZASOIVPMDQQT-UHFFFAOYSA-N 296.414 3.938 30 20 CHED C#Cc1cc(F)c(NCCCCOC(C)(C)C)c(F)c1 802746019 YVXFLSGXRMHKFH-UHFFFAOYSA-N 281.346 3.953 30 20 CHED CC[C@H](OC(=O)c1ccc(C)c(C#N)c1)c1ccc(F)cn1 803044420 GSGDUUVOEWHVKY-INIZCTEOSA-N 298.317 3.709 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccncc1C 294994850 YHWNUIQITRCKQF-UHFFFAOYSA-N 279.387 3.674 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccsc1C 640462378 VXNBDGXQCIODNF-UHFFFAOYSA-N 252.383 3.923 30 20 CHED Cc1sccc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 294725663 MWQXZEBEVROXBE-UHFFFAOYSA-N 298.411 3.979 30 20 CHED C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1cccnc1 298035814 GBTNJWYIQJRSDE-OAHLLOKOSA-N 282.387 3.839 30 20 CHED C=CCOCCCOc1cc(CCC)ccc1OC 478826594 QSUMGGPVKHDUDN-UHFFFAOYSA-N 264.365 3.619 30 20 CHED N#C[C@]1(C(=O)Nc2ccc(F)c(F)c2F)CC12CCCC2 297842682 LWESNEXERLCJSJ-HNNXBMFYSA-N 294.276 3.516 30 20 CHED C=CCn1c(CCCC)nnc1N1CCC[C@H]1C1CCC1 564256216 UWCQGUQADYFDLI-HNNXBMFYSA-N 288.439 3.576 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCc1cncc(C)c1 292157874 FIDNIUBRULYLPB-UHFFFAOYSA-N 294.398 3.537 30 20 CHED C=CCCCC[C@@H](C)NC1CCC(O)(CC)CC1 648493199 UTQXRCOIROLLHR-QQFBHYJXSA-N 253.430 3.795 30 20 CHED CC(C)(C)[C@H](NCc1ccc(C#N)cn1)c1ccc(F)cc1 567824671 UXDGFEUJJZSOMY-QGZVFWFLSA-N 297.377 3.969 30 20 CHED C=CCC1(C(=O)NCc2ccc(OC)cc2C)CCCC1 568956510 DAWDYTMTCOSRRK-UHFFFAOYSA-N 287.403 3.756 30 20 CHED C=C(C)[C@H](N[C@@H](C)[C@@H](C)OC)c1ccc(F)c(F)c1 480666922 QJGSHMLGKYJJGF-RWSFTLGLSA-N 269.335 3.595 30 20 CHED C/C=C\c1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 561344551 SHWKLKHJQDLRCX-IHWYPQMZSA-N 276.339 3.773 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(COC)c2)n1 560027152 IMFSNGZKMBESMB-UHFFFAOYSA-N 272.348 3.737 30 20 CHED C=C(C)COc1cc(C=NOC/C=C\Cl)ccc1OC 811670532 UWGSLYXAGPHDDW-HKWHNATCSA-N 295.766 3.753 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1CCC1CCCC1 488561756 QWNWFHQZFYAWPC-OAHLLOKOSA-N 264.413 3.707 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1C[C@@]12CCc1ccccc12 489941005 KKWCWKRGXRBEQT-VQIMIIECSA-N 283.415 3.609 30 20 CHED C=CCCCCCCCNC(=O)NC[C@@H]1CCSC1 811913757 VSMPKZLWIAHTBP-AWEZNQCLSA-N 284.469 3.565 30 20 CHED Clc1cc(NN=CCCC2CC2)cc(Cl)n1 819828686 MPFRKYDNDCRWBT-UHFFFAOYSA-N 258.152 3.976 30 20 CHED C#CCCCCC(=O)O[C@H]1CCOc2cccc(C)c21 814027326 FQXGKIYPGIEBFH-HNNXBMFYSA-N 272.344 3.555 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2c(F)cc(C#N)cc2F)CCO1 487078203 ZJIHURJUQCNEHP-BXUZGUMPSA-N 294.345 3.842 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2ccccc2o1 488851206 FLBLZTFGPQCHCK-CYBMUJFWSA-N 255.317 3.614 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCCCCCN1CCCC1 819154705 KMYDATIZTJUIQJ-UHFFFAOYSA-N 294.483 3.751 30 20 CHED C=CCCCCN[C@@H](C)Cc1ccc(OC)c(OC)c1C 570536544 NHKJDHBLFHBGGD-AWEZNQCLSA-N 291.435 3.889 30 20 CHED C=CCCNCc1cnc(CCc2ccccc2)s1 657583304 IKXIKXPEGRMBPW-UHFFFAOYSA-N 272.417 3.594 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC1(CCOC)CCC1 657906586 VEGGYLWBZYUXET-HOTGVXAUSA-N 265.441 3.918 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1cccc([N+](=O)[O-])c1 814694418 JGQLFDKLWHBCAM-UHFFFAOYSA-N 287.294 3.764 30 20 CHED CC#CCCSc1nc(C)c(-c2ccccc2)[nH]1 488210805 CZZYUMIOUKCRAR-UHFFFAOYSA-N 256.374 3.891 30 20 CHED C=CCCCCCCCNC(=O)c1conc1C1CC1 811589844 INISVRAVHWUZRS-UHFFFAOYSA-N 276.380 3.808 30 20 CHED CC1(C)CCCc2cc(C#N)c(N[C@@H]3CCCOCC3)nc21 579787780 IFNXTNOYKMIIAD-OAHLLOKOSA-N 299.418 3.548 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1CC(C)(C)C 489016953 SKNIKANCINEPAI-AWEZNQCLSA-N 274.408 3.715 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C)c1ccc(F)cc1 488866381 WNDMJYBWQBCBMP-XJKSGUPXSA-N 275.367 3.886 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)c1ccccc1OC 488863599 IXHBFVWDRXKORP-CABCVRRESA-N 287.403 3.756 30 20 CHED CC[C@H](/N=C\c1c(O)cccc1OC)c1nc(C)cs1 729641797 XZLCTIRCCDMALB-LUMBYOQCSA-N 290.388 3.736 30 20 CHED Cc1cc(Oc2c(C#N)nnc3ccccc23)ccc1F 486897974 OUGKRSJVBXJOIC-UHFFFAOYSA-N 279.274 3.741 30 20 CHED C[C@H](O)c1cc(NCc2ccc(C#N)c(F)c2)ccc1F 814238301 NUJPCQMCPDEXPV-JTQLQIEISA-N 288.297 3.502 30 20 CHED C=CCC(C)(C)CNC(=O)CCCOc1ccc(F)cc1 489706457 SZWQLJVRWVASAV-UHFFFAOYSA-N 293.382 3.703 30 20 CHED C=CCc1cc(CN2CCCC[C@H](C)C2)cc(OC)c1O 482291178 CMINTDWQACBOLU-AWEZNQCLSA-N 289.419 3.751 30 20 CHED CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cn1 576885469 UEDHRLAZCUSECY-GOSISDBHSA-N 297.377 3.921 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCc1ccc(F)cc1)CC2 576097354 PVDLFMGCPYENOZ-SFHVURJKSA-N 280.346 3.517 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCCOc1cccc(C#N)c1 727880243 FBAKHUKEOJNHLO-CQSZACIVSA-N 289.375 3.553 30 20 CHED CC[C@@H](CC(=O)OCc1cccc(C#N)c1)C(C)C 729761033 JOALZLPHNUCPMU-HNNXBMFYSA-N 259.349 3.674 30 20 CHED c1ccc2nc(NN=C3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)cnc2c1 727258466 KZKJDOYYMWIHOG-MQYQWHSLSA-N 292.386 3.854 30 20 CHED C#Cc1ccc(C(=O)OCc2cccc3ccccc23)nc1 729010584 VBINXGYMJZCGRV-UHFFFAOYSA-N 287.318 3.573 30 20 CHED CSC1(CNCc2ccc(C#N)c(Cl)c2)CCC1 589517537 LECMJTLEMNNHKH-UHFFFAOYSA-N 280.824 3.587 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)c3occc23)C1 823236173 KUGCIIRMEHZZTQ-VHSXEESVSA-N 288.734 3.508 30 20 CHED CCc1ccc(CCN(CCC#N)CC(C)C)cc1 739914262 GIABDBROGHKLQL-UHFFFAOYSA-N 258.409 3.663 30 20 CHED CC(C)(C#N)C[C@H](O)CNc1cccc(OC(C)(C)C)c1 905654456 OTNLRSIFRRLEIH-AWEZNQCLSA-N 290.407 3.577 30 20 CHED C=C1CCC(C(=O)Nc2ccc(F)c([C@H](C)O)c2)CC1 908176840 FJFYAVSYYRTRAK-NSHDSACASA-N 277.339 3.564 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 582258871 NYJFUTPLXBLWQS-QGZVFWFLSA-N 286.419 3.714 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(F)cc1OCC1CC1 837430388 HREKILSQGMVCQT-UHFFFAOYSA-N 289.350 3.603 30 20 CHED CC(=NNc1ccccc1F)c1ccc2c(c1)CCO2 839411194 CYXRTRXGWCHWMF-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C#CCOc1ccc(CNC(C)(C)c2cccs2)cc1 735085655 GMDVQKAOUANMRV-UHFFFAOYSA-N 285.412 3.785 30 20 CHED Cc1ccc2c(c1)C(=NNc1ncnc3sccc13)CC2 730947201 HNKLRUQLAKTZMQ-UHFFFAOYSA-N 294.383 3.762 30 20 CHED C=CCCNC(=O)N(CC)Cc1ccc(Cl)s1 661571673 IYWJZQGYDKNCKG-UHFFFAOYSA-N 272.801 3.509 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(OC(F)F)c2)C1 839043272 IYGVVNCJIKSNQF-PWSUYJOCSA-N 295.285 3.527 30 20 CHED C=CCC[C@@H](C)N[C@@H](CO)c1cccc(Cl)c1Cl 662049599 AHZOZJTZQWMFDK-MFKMUULPSA-N 288.218 3.971 30 20 CHED N#CC1(CCN2CC[C@H](c3ccccn3)C2)CCCCC1 839592160 GHPWRYBBEUDBRO-INIZCTEOSA-N 283.419 3.735 30 20 CHED C[C@H](NN=C1CCC(C)(C#N)CC1)c1ccccc1 834943605 CVCFKXBBFNRTQE-KNVGNIICSA-N 255.365 3.797 30 20 CHED C=C(Cl)CN[C@@H](c1ccc(OC)cc1)C(F)(F)F 839546919 OSUOYVLFWAKHBU-NSHDSACASA-N 279.689 3.641 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C1(C#N)CCC1 736006492 NUDOXVJZOXECSQ-KGLIPLIRSA-N 276.424 3.649 30 20 CHED CCN(CCC1CC1)c1ccc2cc(C#N)ccc2n1 581856661 HRPBNFNCSIXAAM-UHFFFAOYSA-N 265.360 3.733 30 20 CHED Cc1ccsc1C=NNc1c(F)cccc1F 735615438 PLJXPCUTVMJPOZ-UHFFFAOYSA-N 252.289 3.781 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@@]2(C)CC=CCC2)cc1 839193786 YFVRKRWQGFFPFT-PBHICJAKSA-N 270.376 3.566 30 20 CHED C=CCC1(c2nc(Cc3cc(F)cc(F)c3)no2)CCC1 584494861 FCGZOPVVLZJRSB-UHFFFAOYSA-N 290.313 3.936 30 20 CHED N#CC1(CCCCOC(=O)/C=C/c2ccco2)CCC1 908703093 XINAFRGKKVNJTK-VOTSOKGWSA-N 273.332 3.700 30 20 CHED C=CCC[C@H](NC(=O)/C=C(/C)Cl)c1ccccc1 901150451 SEFPXIGFEKAGOD-NYHXXUGCSA-N 263.768 3.953 30 20 CHED C=C(CN[C@H](c1ccccn1)C1CC1)c1ccccc1 903083683 LRAJSADZLPNKKK-SFHVURJKSA-N 264.372 3.836 30 20 CHED CC(=NNc1c(F)cccc1F)c1cccs1 735614859 DKIVUOVEEGXUSA-UHFFFAOYSA-N 252.289 3.862 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccnc2)cc1Cl 588595984 MFOKKPIGQZBMCE-SREVYHEPSA-N 257.720 3.940 30 20 CHED C[C@H](NN=C1CCC(C(F)(F)F)CC1)C(F)(F)F 834997765 JEROYFDLWGSPDT-PKPIPKONSA-N 276.224 3.635 30 20 CHED CC[C@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 902999389 ODWLWBPFQWJEQU-UDTPNQRGSA-N 298.430 3.540 30 20 CHED COCC(CC(C)C)=NNc1cc(F)c(F)cc1F 734301623 ILUQBGDBYXFLAN-UHFFFAOYSA-N 274.286 3.564 30 20 CHED C[C@@H]1CCN(C(=O)C#CC(C)(C)C)[C@H](c2ccco2)C1 837449817 VFOPFLLICIPMLV-KGLIPLIRSA-N 273.376 3.629 30 20 CHED CC(C)(NCCC1(C#N)CCCCC1)C1CCOCC1 839586695 WYOFPMCZGMQVOT-UHFFFAOYSA-N 278.440 3.645 30 20 CHED CC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc[nH]1 746576510 JRRTWIVRUJDOMC-UHFFFAOYSA-N 282.265 3.974 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCCCCc1ccc(F)cc1 594088105 OSJDKMHMSIVJSJ-INIZCTEOSA-N 290.382 3.689 30 20 CHED C=C(CNC(=O)c1ccc(Cl)c(F)c1)c1ccccc1 672481062 KLIUEHDYUDWXNY-UHFFFAOYSA-N 289.737 3.922 30 20 CHED C[C@@H](c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1)C1CC1 591454066 ZDGNHBZGSVIDGQ-WKPIXPDZSA-N 279.343 3.726 30 20 CHED Cc1c(C)n(C)c2ccc(OCC3(CC#N)CC3)cc12 596301332 KVJAPGPDRFKJRD-UHFFFAOYSA-N 268.360 3.868 30 20 CHED N#Cc1cccc(CSCc2cc(C3CC3)no2)c1F 596412231 XTGFHQMYFAJQTG-UHFFFAOYSA-N 288.347 3.996 30 20 CHED CSc1ccc(C(=O)OCc2ccc(C#N)cc2C)cc1 748922013 BONPBKXDATUFDC-UHFFFAOYSA-N 297.379 3.946 30 20 CHED C[C@H]1CCCCCC1=NNc1nnc(-c2ccccc2)n1C 844575603 JEBGMGZCQZEUID-ZDUSSCGKSA-N 297.406 3.850 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C\c1ccsc1 743675003 LJAORUVGICQNIM-YVMONPNESA-N 299.370 3.562 30 20 CHED C=CCC[C@H](N[C@H](C)CCCCO)c1ccccc1 679356725 HQXFPMASLPSLHO-WBVHZDCISA-N 261.409 3.835 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](CC#N)C1 595621520 VXBPTPSJLIHBTM-ZIAGYGMSSA-N 287.363 3.590 30 20 CHED CCCCCCCCN1CCC(CC(=O)OC)CC1 740875067 CCDLOBTUYWSBGC-UHFFFAOYSA-N 269.429 3.622 30 20 CHED N#CCCCCNC(=O)N1CCC[C@H](C2CCCCC2)C1 595487177 DIXAGEMGNFGQEL-INIZCTEOSA-N 291.439 3.682 30 20 CHED CC/C(=C/C(=O)OCCCC#N)c1ccc(C)cc1 745127397 VZZULGWMWUSZDX-OWBHPGMISA-N 257.333 3.635 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccc(COC)c1 743433975 HXFROSFUMCFNJM-UHFFFAOYSA-N 293.370 3.627 30 20 CHED C#CC[C@H](OC(=O)c1cc(Cl)nc(C2CC2)c1)C1CC1 847657674 FWJGIKYKFWVLQQ-AWEZNQCLSA-N 289.762 3.571 30 20 CHED CCc1nc(C#N)cc(S[C@H](C)c2ccccc2OC)n1 596138139 GCQBBDYKHOUJDZ-LLVKDONJSA-N 299.399 3.773 30 20 CHED Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H](CC#N)C1 596629250 NOFIGOFJNULBJZ-GFCCVEGCSA-N 291.782 3.806 30 20 CHED CCCc1nc(C)c(CNc2ccc(C#N)cc2C)o1 846756014 NPDKWHUQLBHSGP-UHFFFAOYSA-N 269.348 3.728 30 20 CHED CCC(=NNc1cc(C(F)(F)F)ccn1)[C@H]1C[C@@H]1C 841639997 JBTLGHIZKZFNOE-WPRPVWTQSA-N 271.286 3.934 30 20 CHED O=C(/C=C/c1cccs1)c1ccc2c(c1)COC2 742436849 NZPLMPRYWSWMBY-AATRIKPKSA-N 256.326 3.674 30 20 CHED CC(C)c1cccc(Nc2ncc([N+](=O)[O-])cc2C#N)c1 743212851 DBURFNFHQMKRJA-UHFFFAOYSA-N 282.303 3.728 30 20 CHED N#CCCOCCSc1ccc(Cl)c(F)c1 593437693 VDMDGLSKHSCBQJ-UHFFFAOYSA-N 259.733 3.501 30 20 CHED Cc1ccccc1C=NOCCCOc1ccccc1 745581900 YHAQVAATISUZNJ-UHFFFAOYSA-N 269.344 3.815 30 20 CHED C=CCCCCNC(=O)N1CCc2cc(F)ccc2[C@@H]1C 681164009 PQQXDOYHVGDESF-ZDUSSCGKSA-N 290.382 3.811 30 20 CHED CSCC1(CC(=O)OCCCCC(C)(C)C#N)CC1 845348951 VHQXGACLHDIFQZ-UHFFFAOYSA-N 283.437 3.783 30 20 CHED CO[C@@H](C=NNc1ccc(F)cc1C)CC(C)C 841632481 KRKOEMQLATZEIP-CYBMUJFWSA-N 252.333 3.593 30 20 CHED C[C@@H](C#N)OCCSC[C@@H](C)C1CCCCC1 842183326 LGXDHXOGKVKJLY-OLZOCXBDSA-N 255.427 3.865 30 20 CHED C#CC1CCN(C(=O)C[C@@H](C)c2c[nH]c3ccccc23)CC1 843700600 MZIFEUMQSFBCLJ-CQSZACIVSA-N 294.398 3.533 30 20 CHED CCCC1CCC(C=NNc2ccc(C)nn2)CC1 755698505 LFJXPWKPHOPBCQ-UHFFFAOYSA-N 260.385 3.789 30 20 CHED CCCCC[C@H](CC)C(=O)NCCc1ccc(C#N)cc1 855225730 SBHMHAGVWZNMIE-KRWDZBQOSA-N 286.419 3.823 30 20 CHED C=C[C@H]1CCCCN1C(=O)C1CC(OCc2ccccc2)C1 683788941 XLNFTOKYEPUOGQ-ADKAHSJRSA-N 299.414 3.549 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 754388491 LATBCTMIBMTIEH-MGPQQGTHSA-N 296.197 3.625 30 20 CHED Clc1cccc(CNN=C/C=C/c2ccco2)c1 756827862 ROONARSFHWCPMV-NQQSTDBQSA-N 260.724 3.722 30 20 CHED N#CCCCCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 752627587 OHDKIPABJMQORD-UHFFFAOYSA-N 296.370 3.897 30 20 CHED CC1(C)C(=NNc2ccnc(Cl)c2)[C@H]2CCC[C@H]21 853396540 BPTWMIZLZKVNCF-WDEREUQCSA-N 263.772 3.959 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2cc(O)ccc2O)c1 757468244 QXNQTXZVFWWEFS-VURMDHGXSA-N 298.338 3.781 30 20 CHED CCCCCC[C@@H](C)NC(=O)N1CCC[C@@H](CC#N)C1 851937046 FSDNQLOCLVFHBM-CABCVRRESA-N 279.428 3.681 30 20 CHED CC(C)c1cccc(C(=O)OCCCSCC#N)c1 850281311 HFTCHWDIJWRJTA-UHFFFAOYSA-N 277.389 3.614 30 20 CHED Cc1ccc(CCCC(=O)OCc2ccccc2C#N)s1 750973033 HCSXUYHLLGGUIL-UHFFFAOYSA-N 299.395 3.994 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccnc(Cl)c1 853395342 UIBPWRUDTSHGFK-NSHDSACASA-N 276.771 3.853 30 20 CHED CCCCCCCNC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 858113189 DCYKBTAUICDVNS-LSDHHAIUSA-N 296.455 3.556 30 20 CHED COc1ccc(C(=O)/C=C\c2nc(Cl)cs2)cc1 759069703 AUFZMDWDTWAAML-SREVYHEPSA-N 279.748 3.701 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2c(F)cccc2F)c1C 750913856 QTJFVIGZGLUMGH-HJWRWDBZSA-N 290.313 3.694 30 20 CHED C#CCN(C(=O)Nc1ccc(Cl)cc1C)C(C)C 929142979 CEQDZLSLEHMZJZ-UHFFFAOYSA-N 264.756 3.524 30 20 CHED C[C@H](C#N)CNN=C1CCC[C@H]1c1ccccc1Cl 758128840 JDWJNDSMPZFXLA-YPMHNXCESA-N 275.783 3.713 30 20 CHED C=C[C@@H](OC(=O)c1ccnn1C(C)C)c1ccccc1 851452258 PTNFETGQLQFJHG-OAHLLOKOSA-N 270.332 3.548 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNc2cc(C)ccn2)cc1 755902367 KBCROBGLHPQOBB-UHFFFAOYSA-N 291.358 3.535 30 20 CHED N#Cc1ccc(Br)c(NN=C2CCCC2)c1 853395877 NUMAJUCFVJVSIX-UHFFFAOYSA-N 278.153 3.663 30 20 CHED CCOc1cccc(C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851212571 UMUXFZKLFOLYRR-LBPRGKRZSA-N 275.348 3.570 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@H](C#N)C(C)(C)C)c1 860646721 KUYXBIYMVIGRAR-RRFJBIMHSA-N 271.360 3.580 30 20 CHED CCC(CC)NN=Cc1cnc(C2CCCC2)s1 767783330 WWRASJHFTOEJDR-UHFFFAOYSA-N 265.426 3.913 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 863633536 QPVGTRNNWDCUES-CQSZACIVSA-N 290.794 3.773 30 20 CHED C=C(C)CCN[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 387405814 LTWKFYKBNDFFMB-HUUCEWRRSA-N 296.455 3.578 30 20 CHED C#CCON=C(C)c1ccc(OCc2ccc(F)cc2)cc1 766068877 JCKVESFLSMCXAS-UHFFFAOYSA-N 297.329 3.779 30 20 CHED CC#CCCCC(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1 767671268 KKHUGNHZPSNLNX-LBPRGKRZSA-N 292.762 3.648 30 20 CHED C=C(C)CNC(=S)Nc1ccc(OCCC)c(C)c1 863241907 RNAUADMTGFALRG-UHFFFAOYSA-N 278.421 3.646 30 20 CHED CCCCC(C)=NNc1cc(C#N)cc(Cl)n1 768376627 UJMWJTJXJPWHDI-UHFFFAOYSA-N 250.733 3.585 30 20 CHED Clc1ccc(CNN=Cc2ccc(Cl)nc2)cc1 764718628 PFPREAGYIQQPJP-UHFFFAOYSA-N 280.158 3.512 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccc(C2CCC2)cc1 767230746 UPABULDLFODZQE-ZDUSSCGKSA-N 274.360 3.841 30 20 CHED C#CCCN(Cc1cccc(Cl)c1F)CC(F)(F)F 768532171 MLZYEEWZZHADHM-UHFFFAOYSA-N 293.691 3.867 30 20 CHED C#Cc1ccc(CNc2ccn(C3CCCCC3)n2)cc1 1118300677 YLVFLLRMYCRWGX-UHFFFAOYSA-N 279.387 3.982 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc(C(C)=O)cc1 1118099106 GLPRGRIFULDEEO-UHFFFAOYSA-N 260.333 3.535 30 20 CHED C#CCOc1ccccc1-c1noc(-c2cc(C)c(C)o2)n1 761992874 YNGRHTRZLDJUEF-UHFFFAOYSA-N 294.310 3.625 30 20 CHED CO[C@@H](c1ccccc1)[C@H](C)Nc1ccc(OCC#N)cc1 1119234822 GDAOKJOSZHNSRP-KBXCAEBGSA-N 296.370 3.777 30 20 CHED C#CCCCCCC(=O)OCc1ccc(Cl)cc1 779711631 SEQIOIFFPGWYKO-UHFFFAOYSA-N 264.752 3.967 30 20 CHED CCc1nc([C@@H](C)Nc2nc(C)cc(C)c2C#N)cs1 1116028893 YCERTQXRBCYIJI-LLVKDONJSA-N 286.404 3.762 30 20 CHED CC(C)O[C@@H]1CC(=NNc2nccnc2C(C)C)C1(C)C 773086731 SLXZMCMNHBQGSO-CYBMUJFWSA-N 290.411 3.591 30 20 CHED CC[C@H](C#N)OC(=O)c1cccn1[C@@H](C)Cc1ccccc1 773785300 PRSGKFVEWAEGMQ-GOEBONIOSA-N 296.370 3.751 30 20 CHED N#C[C@@H](OC(=O)c1ccc2ccccc2n1)C1CCCCC1 776358915 ABXSUURTTOHNGI-QGZVFWFLSA-N 294.354 3.864 30 20 CHED C=CCN(CCc1ccco1)C(=O)NC[C@@H](C)C(C)(C)C 779352504 LHFKOEBUXRNAHN-CQSZACIVSA-N 292.423 3.702 30 20 CHED CC(=O)CCCCCCC(=O)O[C@H](C#N)C1CCCCC1 776399366 KRJZIRXJONWPQB-MRXNPFEDSA-N 293.407 3.932 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc(Cl)cc(Cl)c1F 870310371 WLJCUWFRJHMDKY-QMMMGPOBSA-N 290.121 3.982 30 20 CHED C=CCC[C@@H](C(=O)O[C@H](C)c1cnccn1)c1ccccc1 778622067 NRWUHFCYLMANBK-GDBMZVCRSA-N 296.370 3.831 30 20 CHED C#CCCCCCC(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] 779746380 ZNLVMEYQPGNXSI-UHFFFAOYSA-N 289.331 3.701 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(Cl)cc1C#N)OCC 1119425724 KHXVFBINIROWCX-AWEZNQCLSA-N 292.766 3.521 30 20 CHED C=C(CC)COC(=O)[C@H](C)Cc1cccc(F)c1 773501306 QQWHTAHVLUIQSX-GFCCVEGCSA-N 250.313 3.514 30 20 CHED C=CC[C@H](NC(=O)C1C[C@H](C)C[C@@H](C)C1)c1ccncc1 779944947 UEPZGWFQNNNPMY-CPUCHLNUSA-N 286.419 3.887 30 20 CHED Cc1cc(C(=O)O[C@H](C#N)C2CCCCC2)ccc1F 776383637 OMGRXCIPUABTSY-OAHLLOKOSA-N 275.323 3.763 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](c2ccccc2)C1 878530398 UHJHWHRKBGRQFG-HNNXBMFYSA-N 257.377 3.605 30 20 CHED CCc1ccnc(C(=O)OCC#Cc2ccc(Cl)cc2)c1 775099292 LBYJVLNWEMYZCZ-UHFFFAOYSA-N 299.757 3.506 30 20 CHED C=CC[C@@H](NC(=O)N1CCCC[C@H](C)C1)c1ccncc1 776148431 DXPQHDXTRHRRQG-GOEBONIOSA-N 287.407 3.530 30 20 CHED N#Cc1ccc(C(=O)OCC2CCCC2)cc1Cl 778541949 DUCGTUINDBGAGG-UHFFFAOYSA-N 263.724 3.559 30 20 CHED CC(C)C[C@@H](C)OC(=O)c1ccc(C#N)c(Cl)c1 778616498 UYEDVQDANMWWLC-SNVBAGLBSA-N 265.740 3.803 30 20 CHED CON=CC(=O)Nc1ccccc1Oc1c(C)cccc1C 773857172 XWPXTUGDLCJKFN-UHFFFAOYSA-N 298.342 3.666 30 20 CHED C=CCCCCNC(=O)CCCc1ccsc1 770082210 MKJBVSUSRRJXCO-UHFFFAOYSA-N 251.395 3.543 30 20 CHED C=CCN(C(=O)c1ccc(C)c(-n2cccc2)c1)C1CC1 771817803 GFQMRLDGYSRSGM-UHFFFAOYSA-N 280.371 3.576 30 20 CHED FC(F)(F)CCON=Cc1ccnc2ccccc12 777459897 MEYGAAUZOCBAPS-UHFFFAOYSA-N 268.238 3.538 30 20 CHED C#CCCCCC(=O)O[C@H](C)C(=O)c1ccc(Cl)cc1 773622598 AHPPOQBLHADQPO-GFCCVEGCSA-N 292.762 3.648 30 20 CHED CC#CCCNC(=O)Nc1ccc(-c2ccccc2)cc1 779350023 FGFVRGXMGJNFPY-UHFFFAOYSA-N 278.355 3.889 30 20 CHED C#C[C@@H](C)NC(=O)c1sc(-c2ccccc2)cc1OCC 775385371 FNWREXCSNPHSDZ-GFCCVEGCSA-N 299.395 3.565 30 20 CHED CCCCCCCCNC(=O)C1(CC)CCOCC1 778939859 GUJKYAGVRMGWEI-UHFFFAOYSA-N 269.429 3.670 30 20 CHED Fc1ccc(F)c2c1CCC2=NOC1CCCC1 774603126 MZRKOHJQEYILBM-UHFFFAOYSA-N 251.276 3.574 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc(SC)ccc1Cl 1121252754 HYPWOEBJWBLFIG-JTQLQIEISA-N 296.823 3.826 30 20 CHED COc1ccc(Cl)c(COc2cccc(F)c2C#N)c1 1165870179 SACWYSDKDKDIFA-UHFFFAOYSA-N 291.709 3.938 30 20 CHED COc1ccc(C=NOCCC(F)(F)F)cc1Cl 777463065 YAUFQQOLPJKBFW-UHFFFAOYSA-N 281.661 3.652 30 20 CHED C=C(C)CCC(=O)N(C)Cc1c(F)cccc1Cl 1120504545 QXMTUCWXUZELCX-UHFFFAOYSA-N 269.747 3.794 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1c(O)cccc1F 886603446 ODTHCDRNOJDCDD-MEDUHNTESA-N 296.345 3.741 30 20 CHED CC(=NN=C1CC(c2ccc(Cl)cc2)C1)c1cnccn1 783848476 HJNUKPWLTNLYJM-UHFFFAOYSA-N 298.777 3.873 30 20 CHED O=C(O)c1csc(/C=C\C(=O)c2cccc(F)c2F)c1 782208303 VXACMYMKEPFMKO-PLNGDYQASA-N 294.278 3.621 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NO[C@@H]2CCCCO2)C1 783522334 QGEGNYPLIPVJHI-MWLCHTKSSA-N 265.275 3.638 30 20 CHED Cc1cc(F)ccc1COC(=O)c1ccccc1CC#N 785135301 KAOAJGPCGCLBGN-UHFFFAOYSA-N 283.302 3.557 30 20 CHED C=C1CCC(C(=O)NC[C@H]2CCCC(F)(F)C2)CC1 890423275 KJJAESSZIYCZDU-LBPRGKRZSA-N 271.351 3.675 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1ccc2c(c1)CCCC2 782072068 ALKPVRJRBNLTAV-UHFFFAOYSA-N 299.414 3.981 30 20 CHED CC(=NNc1cccc2cnccc12)[C@]1(C)CCCO1 782222444 YUIUYTRPYHMYRY-INIZCTEOSA-N 269.348 3.592 30 20 CHED C=CCC1(C(=O)OCc2ccc(OC)c(F)c2)CCC1 791559840 BHNOZIXCNJEEDW-UHFFFAOYSA-N 278.323 3.624 30 20 CHED Fc1cccc(NN=C2CCC[C@@H](c3cccnc3)C2)n1 795008857 QCIMGBLLTGAUPD-GFCCVEGCSA-N 284.338 3.741 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2ccc(F)cc2C)[C@@H]1C 794523530 IQWLIJSAVXIYNZ-NEPJUHHUSA-N 292.354 3.511 30 20 CHED CN(C)c1ccc(/C=C2\COc3cc(F)ccc3C2=O)cc1 794728316 OLRXOWNETUPUAD-UKTHLTGXSA-N 297.329 3.550 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2cccnc2Cl)c1 794944134 GVHLKDRTYYQACP-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CN1C(=O)/C(=C/c2cccc(C#N)c2)c2cc(Cl)ccc21 799502625 AZMYJVUGHYPXEV-OVCLIPMQSA-N 294.741 3.729 30 20 CHED COc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1Br 799722471 HWUGZLKDPBCINX-ZJUUUORDSA-N 295.180 3.562 30 20 CHED CC(=NN1CCC(C(C)(C)C)CC1)c1cnc(C)nc1C 790181639 SXVLOQFQVXHUSB-UHFFFAOYSA-N 288.439 3.576 30 20 CHED Oc1cccc(/C=N/[C@@H]2C[C@H]2c2cccc(Cl)c2)c1O 797784165 RZNLUBJMAJAHHN-LQZLSNDWSA-N 287.746 3.726 30 20 CHED CC(C)(CCC#N)COC(=O)c1cnc2ccsc2c1 798877066 DYYFEZRCCVXHKH-UHFFFAOYSA-N 288.372 3.783 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H](F)CC1CCCCC1 796903683 FMWQBKUQCZSIKX-CZUORRHYSA-N 282.403 3.739 30 20 CHED CCC(=NNc1ncccc1C)c1ccc(N(C)C)cc1 790184712 AHFOZZKVMNRHAB-UHFFFAOYSA-N 282.391 3.682 30 20 CHED C=C(Br)CN(CCC)Cc1ccccc1O 76074219 PFJIFTJDMSFEMZ-UHFFFAOYSA-N 284.197 3.513 30 20 CHED CC(C)[C@H]1CN(c2ccnc(C#N)c2)c2ccccc21 1163205174 KKVJSSBVSQOIIJ-MRXNPFEDSA-N 263.344 3.845 30 20 CHED CCCCN(CCCC)Cc1ccc(C#N)cc1OC 1231620373 YCTHGYHNHDLFJC-UHFFFAOYSA-N 274.408 3.969 30 20 CHED C#C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)C(C)(C)C 702223018 DLDCFRMTHCEDKX-CYBMUJFWSA-N 298.213 3.700 30 20 CHED CCC(C)(C)CC(=O)Nc1ccc(Cl)cc1C#N 702293334 CXHGCFWONIPVDZ-UHFFFAOYSA-N 264.756 3.976 30 20 CHED CC(C)(C#N)CCCCN1CCc2c(F)cccc2C1 277601752 FDOIZICDUFTDRT-UHFFFAOYSA-N 274.383 3.904 30 20 CHED CC/C(=C/C(=O)OCC1(CC#N)CC1)c1ccc(OC)cc1 1327458696 BTIHKVBMHHJVAJ-OWBHPGMISA-N 299.370 3.726 30 20 CHED CCN(Cc1cccnc1)[C@@H](C)c1ccc(C#N)cc1 171146011 WIVWUMYPHYAFCW-AWEZNQCLSA-N 265.360 3.536 30 20 CHED CCN(CCCOC(C)C)[C@@H](C)c1ccc(C#N)cc1 171499930 VPPORJGYIFQOTN-HNNXBMFYSA-N 274.408 3.756 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C1CCC2(CC1)CC2 598818964 MNJVEXMSIWFFRF-UHFFFAOYSA-N 272.323 3.606 30 20 CHED C/C(=C/C(C)(C)C)C(=O)OCc1ccc(C#N)s1 1327720120 AEJQLJMXGAIOJA-YFHOEESVSA-N 263.362 3.655 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H]1c1cccc(Cl)c1 1321884282 SFIHDIPYIXLBHG-CABCVRRESA-N 290.794 3.598 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@](C)(C#N)C1 1323783738 RSEJUKSYYCKNKD-WMLDXEAASA-N 276.424 3.745 30 20 CHED CCCOc1ccccc1NC(=O)c1cccc(CC#N)c1 42296132 LOGIYZDAHCWRDP-UHFFFAOYSA-N 294.354 3.794 30 20 CHED COC(=O)c1ccc(NCCCC(C)(C)C#N)c(C)c1 1253041707 SXMQHGWNJBFRLF-UHFFFAOYSA-N 274.364 3.524 30 20 CHED CC1(C)CCC[C@@H]1CNc1nc(C#N)c(Cl)s1 1186542107 XSXQJCGLHBRVCB-MRVPVSSYSA-N 269.801 3.906 30 20 CHED C=CC[C@H]1CCCN(CCC(=O)c2ccccc2)C1 661381932 QGOOBJDTEWMXMK-HNNXBMFYSA-N 257.377 3.548 30 20 CHED CC(C)c1nc(N2CCC[C@@H](C#N)C2)cc(C(C)(C)C)n1 1335550034 IHSFVDGUCLXVKE-ZDUSSCGKSA-N 286.423 3.637 30 20 CHED CCCC[C@@](C)(F)C(=O)OCCCC(C)(C)C#N 1333244461 GRCJZCDYPSOWLV-CQSZACIVSA-N 257.349 3.778 30 20 CHED Cc1cccc(C)c1C=NNc1ccc(C(C)(C)C)nn1 1253646748 MCADOFHHMPEULN-UHFFFAOYSA-N 282.391 3.837 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 1337140591 BAINATFFZFQXEW-IBGZPJMESA-N 299.823 3.513 30 20 CHED Cc1cc(N2CCC[C@](C)(C#N)C2)c(Cl)cc1[N+](=O)[O-] 784204310 JBQDXFDFKQYBCN-CQSZACIVSA-N 293.754 3.687 30 20 CHED C=C(C)CCC(=O)NCC[C@H]1CCc2ccccc21 1335937532 XPEKAPLIVPCGKP-OAHLLOKOSA-N 257.377 3.579 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ncc2ccccc2c1O 1262655451 OJFZSAXTUHSYLN-CQSZACIVSA-N 296.370 3.511 30 20 CHED C[C@@H]1CC[C@@H](c2nnc(-c3cccc(C#N)c3)o2)C1 1261570329 MPSVVUQXSVYVRR-ZWNOBZJWSA-N 253.305 3.512 30 20 CHED CC[C@H](F)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1514963411 CRZLRQDRPRNAHQ-HNNXBMFYSA-N 299.349 3.652 30 20 CHED CC(C)CN(C)c1c(C#N)cnc2c(Cl)cccc12 1458141948 HPHOADQJPGZIHM-UHFFFAOYSA-N 273.767 3.852 30 20 CHED C[C@H](OC(=O)C1C(C)(C)C1(C)C)c1ccc(C#N)cc1 1457190396 HUADOKOYYATWGW-NSHDSACASA-N 271.360 3.845 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 1528099372 CHCJSOYAGUXZCT-CJNGLKHVSA-N 272.392 3.593 30 20 CHED CO[C@@]1(C)C[C@H](N(C)Cc2ccc(C#N)c(C)c2)C1(C)C 1461885193 URFABFMPAVLIBH-WMZOPIPTSA-N 286.419 3.502 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc(-c2nncs2)cc1 1525442958 JUFYPHXAEWWCRQ-UHFFFAOYSA-N 288.372 3.713 30 20 CHED CC1(C)C[C@@]1(NCC1(CC#N)CC1)c1ccccc1 1460517978 OYNZMFWIPMYVDJ-QGZVFWFLSA-N 254.377 3.595 30 20 CHED C=CCC1(C(=O)OCc2ccc(C(=O)O)cc2)CCCC1 1602718305 JNMCFIBKYPSUHT-UHFFFAOYSA-N 288.343 3.565 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 1464418667 BACLYJLDLVXYMT-ZDUSSCGKSA-N 295.342 3.671 30 20 CHED C=C(Cl)CN(CCOC)Cc1ccc(F)c(Cl)c1 1618600129 WRVAYYIXOZRLMX-UHFFFAOYSA-N 292.181 3.680 30 20 CHED N#Cc1cccc(Cn2nc(-c3ccccc3)nc2Cl)c1 1473091113 YJNRDQCDSZOXEF-UHFFFAOYSA-N 294.745 3.518 30 20 CHED C=C(Br)CN1CCC(C)(C(C)C)CC1 1617368089 XZYNCQLIVHCFRT-UHFFFAOYSA-N 260.219 3.653 30 20 CHED N#Cc1ccc(SCCc2nc3ccccc3[nH]2)c(F)c1 1559375206 IVXWLZNAXMZIIZ-UHFFFAOYSA-N 297.358 3.908 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2C[C@H]2Cc2ccccc2)c1C#N 1559109691 BAIVNVFNDAWPQD-CZUORRHYSA-N 297.789 3.958 30 20 CHED Cc1cccc(C)c1CCNc1ncc(C#N)cc1Cl 1639607668 YOPZXHORVUDAMR-UHFFFAOYSA-N 285.778 3.878 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)[C@H](C#N)CCc2ccccc2)C1 1631122931 OZSFEOYWLQLAMV-NXHRZFHOSA-N 298.430 3.701 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1639803211 OPBXTCICIUHLRV-NSHDSACASA-N 298.390 3.754 30 20 CHED Cc1nc(-c2ccc(OCc3ccc(C#N)s3)cc2)no1 1643640544 LBROQIJZDVQTGH-UHFFFAOYSA-N 297.339 3.557 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CC[C@@H](C)[C@@H]1CC 1749265670 WZURKXKTMVYULM-MFKMUULPSA-N 294.830 3.533 30 20 CHED Cc1c(Cl)ccc(B2OC(C)(C)C(C)(C)O2)c1Cl 1881002452 SOKWZATZUPSTLY-UHFFFAOYSA-N 286.995 3.601 30 20 CHED CNC(=O)c1cccc(CSc2ccc(C#N)c(C)c2)c1 1652912238 LIVLVGDILXNEBR-UHFFFAOYSA-N 296.395 3.519 30 20 CHED Cc1cc(CNC[C@@H]2CCC[C@H]2C2CC2)ccc1C#N 1662652292 JDARZYAKRLBOBQ-ROUUACIJSA-N 268.404 3.783 30 20 CHED O=C(O)c1cc(NN=C2CCC3(CCC3)C2)ccc1F 1776065160 YHBPJOHDRKHEEX-UHFFFAOYSA-N 276.311 3.646 30 20 CHED C=CCCCCN1CC[C@@H]2C[C@H](CC(=O)O)CC[C@@H]2C1 1776174867 ULMCSDJQEBGOGF-BZUAXINKSA-N 279.424 3.556 30 20 CHED C=CC[C@H](CNc1ncccc1C(=O)O)c1ccccc1 1776151924 OXSGZVANWNGMCS-CQSZACIVSA-N 282.343 3.552 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 161995237 MCIZXAMTRIIPSB-SUMWQHHRSA-N 295.398 3.724 30 20 CHED C=CCN(C(=O)CCc1c[nH]c2ccccc12)C(C)(C)C 162440372 CWRTYENVVDJBFP-UHFFFAOYSA-N 284.403 3.914 30 20 CHED CC[C@@H]1CCCCN1Cc1ccc(N(C)CCC#N)cc1 157459378 YDYYGFIYCJULJZ-QGZVFWFLSA-N 285.435 3.801 30 20 CHED C#CCCCCNC(=O)N(C)[C@H](c1ccccc1)C(C)C 154957512 GFBKAQNJIJZJFB-KRWDZBQOSA-N 286.419 3.829 30 20 CHED C#CCCCCNC(=O)N[C@H](CCC=C)c1ccccc1 159342614 OUVVUUIFPOKFEJ-QGZVFWFLSA-N 284.403 3.797 30 20 CHED C=CCN(Cc1cc(Br)ccc1OC)C(C)C 917069646 SVQITAUICHSRQG-UHFFFAOYSA-N 298.224 3.854 30 20 CHED C#Cc1ccc(CN[C@@H](C)Cc2ccccc2F)cc1 809608740 SBEYMOJWOUZJGJ-AWEZNQCLSA-N 267.347 3.528 30 20 CHED C#Cc1cccc(CN[C@H]2CCCc3sccc32)c1 834902112 DXIZZHIFIRJAOA-INIZCTEOSA-N 267.397 3.897 30 20 CHED CC[C@H](C)CSCCC(=O)Nc1cccc(C#N)c1 225303097 SQONIZYXOSLAHZ-LBPRGKRZSA-N 276.405 3.666 30 20 CHED N#CCOc1cccc(NCc2cc(Cl)ccc2F)c1 129776756 BRPFFKPHSAEMAZ-UHFFFAOYSA-N 290.725 3.994 30 20 CHED N#CC1(NC(=O)c2cc3ccccc3s2)CCCCC1 42316132 GBRPKVAWKDQRAF-UHFFFAOYSA-N 284.384 3.858 30 20 CHED CCOc1ccc(NCc2ccc(C#N)s2)cc1F 157007053 PCRYNCORBJSHIP-UHFFFAOYSA-N 276.336 3.770 30 20 CHED COc1ccc(C#N)cc1CN(C)Cc1ccc(C)s1 158199470 XYZPUAJLHAKCET-UHFFFAOYSA-N 286.400 3.569 30 20 CHED C[C@@H](CC(=O)NCc1ccc(C#N)cc1)CC(C)(C)C 48346700 CUVSRGKYINDIKX-ZDUSSCGKSA-N 272.392 3.637 30 20 CHED Cc1nc(N(C)Cc2ccccc2F)c(Cl)cc1C#N 313111474 OIIHSYMYOBLAFZ-UHFFFAOYSA-N 289.741 3.691 30 20 CHED C[C@@H](CNc1cccc(CC#N)c1)c1ccccc1 313481167 QDAIGEFCNSIQMR-AWEZNQCLSA-N 250.345 3.968 30 20 CHED C[C@H]1CCCC[C@@H]1CNCCc1cccc(C#N)c1 466421319 DBWDVWNBKYXRAY-WMLDXEAASA-N 256.393 3.517 30 20 CHED Cc1nc(C)c(COc2ccc(C#N)c(Cl)c2)s1 438892617 GTHAEZJQNJLDJA-UHFFFAOYSA-N 278.764 3.864 30 20 CHED C=CCN(Cc1ccccc1)C(=S)NC(C)(C)CC 774156780 UCXWEVUSTKPCLI-UHFFFAOYSA-N 276.449 3.738 30 20 CHED C#CCN(CCCCC(C)(C)C#N)Cc1ccccc1 796639483 CJAUAGOXKWKORN-UHFFFAOYSA-N 268.404 3.842 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cccc(C#N)c2)n1 5642249 MMXIALJYZALDSL-UHFFFAOYSA-N 279.368 3.734 30 20 CHED CCOc1ccc(OCC)c(NCc2ccccc2C#N)c1 21982515 DQVHLFMQMUZGRY-UHFFFAOYSA-N 296.370 3.968 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 42392188 BJAVLVXFQAGQLA-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccc(C#N)cc1 43017022 KWLVIQMKCGUGLS-GFCCVEGCSA-N 289.338 3.531 30 20 CHED C=CCSCC(=O)N[C@H](C)c1ccc2ccccc2c1 44313830 DMXZQIYPZYYJBT-CYBMUJFWSA-N 285.412 3.936 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc(F)cc1 48625090 HPMPYGMVDALHGA-XFSBKJJWSA-N 268.287 3.657 30 20 CHED C=C(Br)CN(Cc1ccc(OC)cc1)C1CC1 52439956 ZVSCMTAEZGRANA-UHFFFAOYSA-N 296.208 3.568 30 20 CHED Cc1cccc(C2(C(=O)Nc3ccc(C#N)cc3)CC2)c1 52932212 VUPJMZNAOQRZAT-UHFFFAOYSA-N 276.339 3.537 30 20 CHED CCN(CCCCC#N)Cc1ccc(Cl)s1 57599239 MDNGQMIYFSOOBG-UHFFFAOYSA-N 256.802 3.917 30 20 CHED C=CCCC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 60364819 QWWWHQLTIKWYAI-OAHLLOKOSA-N 285.391 3.733 30 20 CHED C=CCN(CC=C)Cc1csc(CCC(C)C)n1 65040901 BYBOSRWRDRVUNS-UHFFFAOYSA-N 264.438 3.906 30 20 CHED Cc1cc([C@H](C)NC(=O)Nc2ccc(CC#N)cc2)c(C)o1 67663175 MMIVWKYFSFBJNW-LBPRGKRZSA-N 297.358 3.845 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(Cl)s2)cn1 68723058 WEXUFRTYWRBURL-HWKANZROSA-N 266.753 3.514 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCOc2ccc(F)cc21 68765464 BZGVGOBGRUNGOV-HNNXBMFYSA-N 286.281 3.772 30 20 CHED C[C@@H](NC(=O)c1cccc(C#N)c1)C(C)(C)c1ccccc1 76173351 BWPPGIQOWDRXQO-CQSZACIVSA-N 292.382 3.654 30 20 CHED COc1ccc(OC)c(CCCNc2ccc(C#N)cc2)c1 76300683 NMNPAENYSXXAIC-UHFFFAOYSA-N 296.370 3.620 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(CC#N)c1 77308134 GJGBVFPSOOUDIH-WBVHZDCISA-N 284.403 3.841 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c(F)c1 79172975 XAKIXCDYCYOVQF-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc3cc[nH]c23)c1 80003682 OUCUYMSWNNEHMZ-UHFFFAOYSA-N 288.350 3.816 30 20 CHED N#Cc1cc(CNc2ccc(F)c(F)c2)ccc1F 83451359 PVUPKADAPOHQBW-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=CCCCS[C@@H]1CCN(c2c(F)cccc2F)C1=O 88306821 PCSDWWOREYEZAK-CYBMUJFWSA-N 297.370 3.770 30 20 CHED N#Cc1ccc(CNCC2(c3ccc(F)cc3F)CC2)cc1 90227573 GIBHWFPUTOSWHT-UHFFFAOYSA-N 298.336 3.658 30 20 CHED CC(C)C[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N 94334958 SRSYJWLEXTWIMF-VIFPVBQESA-N 271.286 3.819 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)CC 97044234 UMSQKKLDHLEMGA-JTQLQIEISA-N 271.813 3.962 30 20 CHED CC(C)c1cccc(N/C(N)=N/Cc2cccc(C#N)c2)c1 104165460 YFFWLZPLEKIHPG-UHFFFAOYSA-N 292.386 3.608 30 20 CHED CC(C)(C)[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccccc1 105138765 UOFYCOWOZYYOBY-INIZCTEOSA-N 299.418 3.719 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(OCCC)c2)CC1 111721775 QTLLIAMGESVIPS-UHFFFAOYSA-N 288.391 3.905 30 20 CHED CCCCCCCCC(=O)NCc1ccc(N)cc1 115062005 ORPXSGJLOLXWFX-UHFFFAOYSA-N 262.397 3.636 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H](Cc1ccccc1)C(C)C 119144347 LXHZRJBKZDBPEG-NVXWUHKLSA-N 286.419 3.509 30 20 CHED C=C(C)CNCc1cc(C)c(OCc2ccccn2)c(C)c1 119642845 LMCQXSHILVSDRA-UHFFFAOYSA-N 296.414 3.943 30 20 CHED C[C@H]1CCCCN1C[C@@H]1CCCN(CCC(C)(C)C#N)C1 119656714 POTQSKYZACELRR-DLBZAZTESA-N 291.483 3.513 30 20 CHED CN(C)c1ccc(NCc2ccc(C#N)s2)cc1Cl 121067191 LHIOBCGEIHTMHS-UHFFFAOYSA-N 291.807 3.951 30 20 CHED N#Cc1ccc(OC(=O)c2cccc(Cl)c2F)cc1 121367939 RJQISSUFUKXVBN-UHFFFAOYSA-N 275.666 3.570 30 20 CHED N#CCOc1ccc(N[C@H]2CCCc3occc32)cc1 122079143 DDVKAPQPCYOZMW-HNNXBMFYSA-N 268.316 3.671 30 20 CHED CCN(CC)c1ccc(NC(=O)c2sccc2C#N)cc1 127963433 WJMRABGAEMLKFU-UHFFFAOYSA-N 299.399 3.718 30 20 CHED CCOCc1cccc(NCC(C)(C)CCC#N)c1 128881763 DLPVELWGCZIXFJ-UHFFFAOYSA-N 260.381 3.965 30 20 CHED COc1ccc(C#N)cc1CN1CCc2sccc2[C@@H]1C 130445329 ZJUYIMDENZGXFI-LBPRGKRZSA-N 298.411 3.748 30 20 CHED CC(C)Oc1ccc(NC(=O)/C=C/c2ccco2)cc1C#N 130817829 LFJBNURRFZVGGP-SOFGYWHQSA-N 296.326 3.590 30 20 CHED C=CC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 135216273 FIABALQDNCGDAK-UHFFFAOYSA-N 268.404 3.886 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1 137131263 KMWOXDPYQXTHJO-OAHLLOKOSA-N 281.380 3.788 30 20 CHED N#Cc1cc(N2CCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] 157620269 OQGIOFXRGFNCAM-MRXNPFEDSA-N 293.326 3.808 30 20 CHED CC(C)(C#N)CCCOc1ccc(NC(=O)C2CC2)cc1 158122693 YOFLSMZCEXQXDO-UHFFFAOYSA-N 286.375 3.744 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)s2)cc1 160638863 JEHKKUJCFFJAIS-UHFFFAOYSA-N 256.374 3.560 30 20 CHED Cc1cc(C#N)ccc1CN(C)c1ccccc1C 165470831 FYHCNCUVOZOGPO-UHFFFAOYSA-N 250.345 3.812 30 20 CHED Cc1ccc(NC(=O)OC(C)(C)C)c2[nH]cc(C#N)c12 166427824 ROKDBVGWCWUINJ-UHFFFAOYSA-N 271.320 3.695 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1ccc(F)cc1C#N 171374064 KNDARYPUVFOCBB-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C#Cc1cccc(N(C(=O)[C@H](C)C(C)C)C(C)C)c1 171939804 PMWOJQZBZBDROM-CQSZACIVSA-N 257.377 3.701 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@H](C)C1 172801526 SRAZBKVJNCHHFF-GXTWGEPZSA-N 286.375 3.722 30 20 CHED Cc1ccc([C@H](O)CSc2nc(C)cc(C)c2C#N)cc1 174672089 LOYGDKNXLDVEOS-MRXNPFEDSA-N 298.411 3.704 30 20 CHED C[C@@H](Nc1snc(Cl)c1C#N)c1cccc(O)c1 174719080 VQHXCYIEXNZGLO-SSDOTTSWSA-N 279.752 3.547 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2F)c1 175186552 XQHLTBFSFRQBQI-MRXNPFEDSA-N 297.329 3.603 30 20 CHED CN(C(=O)C1(Cc2ccccc2)CC1)c1cccc(C#N)c1 176987707 XECMBCOMYBFJBN-UHFFFAOYSA-N 290.366 3.544 30 20 CHED C=C(C)CSCC(=O)N[C@@H](C)c1ccc(Cl)cc1 177864448 UTDJSADWGSRQMI-NSHDSACASA-N 283.824 3.827 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N(C)Cc1ccccc1C 177866305 QPGMLTHAWNRWOO-AWEZNQCLSA-N 277.433 3.651 30 20 CHED CCOc1ccc([C@@H](C)NCCCCC#N)cc1OCC 178531529 NFWFYKILJMRJDD-CQSZACIVSA-N 290.407 3.828 30 20 CHED C=CCCN[C@@H](C)c1cccc(OCc2ccccn2)c1 179689285 IFFZZWNFQDQQLO-HNNXBMFYSA-N 282.387 3.887 30 20 CHED CC[C@H](CC#N)NC(=O)CCSc1ccc(C)c(C)c1 183914670 WPBCJJIHESLDKR-CQSZACIVSA-N 290.432 3.594 30 20 CHED CCN(Cc1ccc(C(F)F)cc1)C[C@@H](C)C#N 183932570 ZPWBEMGBMBFHOG-NSHDSACASA-N 252.308 3.606 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@]1(C)Cc1ccccc1 185070924 RPYRSKNUPSIZEZ-IBGZPJMESA-N 298.430 3.597 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 185525286 HWNBIPNOAYGOAC-GJYPPUQNSA-N 299.414 3.557 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)cn2)C1 185790808 ZRUADICHYVMEBN-LSDHHAIUSA-N 284.407 3.566 30 20 CHED CC[C@@H]1[C@@H](C)CCN1c1nc(C(F)(F)F)ccc1C#N 185930130 HVRAODUYIWTJFZ-GXSJLCMTSA-N 283.297 3.597 30 20 CHED C=C(C)[C@@H](NC(=O)c1ccoc1)c1ccc(F)c(F)c1 186050349 VGHUWGZGNUKRLK-CQSZACIVSA-N 277.270 3.605 30 20 CHED C=CC[C@@H](C(=O)N1C[C@H]2CCC[C@H]2C1)c1ccccc1 188526298 OYWOVHJDYVPNPM-IXDOHACOSA-N 269.388 3.605 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCCc2sccc21 188588518 HMRYCTWKTPXPQN-SWLSCSKDSA-N 263.406 3.844 30 20 CHED CCCn1c(C(=O)N(CC)C[C@H](C)C#N)cc2ccccc21 189811086 DZUYKRVHGSXCFT-CQSZACIVSA-N 297.402 3.673 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)c(F)c1F 189941378 DFSBAYBEYOVFKF-UHFFFAOYSA-N 298.308 3.648 30 20 CHED C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 193058691 CVPAXRQDRWNHHH-ZIAGYGMSSA-N 299.418 3.998 30 20 CHED CCOCc1cc(/C=C/c2ccc(C#N)cn2)ccc1OC 195090250 KTJWAEOEPHQWMX-QPJJXVBHSA-N 294.354 3.669 30 20 CHED CNC(=O)c1ccc(/C=C\C(=O)c2cccc(Cl)c2)cc1 212804498 PPVZPOQFPHJYCV-YFHOEESVSA-N 299.757 3.596 30 20 CHED C=CCC[C@@H](C)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 230661207 LUUKIVWACPRFFX-CABCVRRESA-N 296.455 3.578 30 20 CHED C[C@H]1[C@H](C)CCCN1Cc1ccc(N(C)CCC#N)cc1 245555623 IKFZYPFCEBZSJW-CVEARBPZSA-N 285.435 3.657 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 248413976 GNGLOUMARVEFJC-XOKHGSTOSA-N 254.377 3.569 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H](C)c2ccccc2)n1 253490829 KDPZFDCCBKJNGU-LLVKDONJSA-N 269.373 3.818 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cc(C#N)cs1)C2 255081301 LRQOJXRYKJBYQX-NTUHNPAUSA-N 265.337 3.751 30 20 CHED CON=Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 255194627 CVFFCMPPDZGOMC-UHFFFAOYSA-N 288.734 3.573 30 20 CHED O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccncc1 255207194 MFSHDHZMLZUNPR-RQOWECAXSA-N 288.690 3.539 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)/C=C(/C)C1CC1 255582017 LJTNNJGSVZFONI-XFXZXTDPSA-N 283.375 3.675 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C/c1cccs1 264264088 MPHYBVDXGJGMIN-BQYQJAHWSA-N 276.405 3.550 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(Cl)cn1 265752583 ZBUAINFQZFJASM-UHFFFAOYSA-N 266.772 3.553 30 20 CHED C#CCCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 271614980 AMGZDMLTMZSCSA-CYBMUJFWSA-N 273.273 3.822 30 20 CHED C=CCN(C(=O)Nc1cc(C#N)ccc1OC(C)C)C1CC1 271615790 XBLFSROFMJZIKZ-UHFFFAOYSA-N 299.374 3.528 30 20 CHED N#CCCCN[C@@H](COc1ccccc1)c1ccccc1 271761058 ZNKQEIGETXVEAL-SFHVURJKSA-N 280.371 3.700 30 20 CHED C=CCCc1nc(CSCc2ccccc2)no1 273760056 DFJRARTZEJILQP-UHFFFAOYSA-N 260.362 3.622 30 20 CHED C=C(C)CCN[C@@H](C)c1nc(C2CCCCC2)no1 274796748 DIYXUFYSBWRTQQ-LBPRGKRZSA-N 263.385 3.734 30 20 CHED C=C(Cl)CN[C@H]1CCSc2ccc(OC)cc21 276149416 OTFFPOXMHJQAPG-LBPRGKRZSA-N 269.797 3.574 30 20 CHED CN(Cc1ccccc1Br)[C@@H]1CC[C@@H](C#N)C1 278524214 CYBORFOGMAROIO-DGCLKSJQSA-N 293.208 3.573 30 20 CHED CC[C@@H](NC[C@@H](O)c1cccc(C)c1)c1ccc(C#N)cc1 278854563 VWOVGSXNGWFJSL-RTBURBONSA-N 294.398 3.641 30 20 CHED Cc1ccc(C)c(OCCCC2(C#N)CCOCC2)c1 281280244 IPJFCBZCNJNDBM-UHFFFAOYSA-N 273.376 3.783 30 20 CHED N#Cc1c(Cl)nsc1NC[C@H]1CCC(F)(F)C1 282021832 QMOHDLOSMROUET-LURJTMIESA-N 277.727 3.515 30 20 CHED C[C@@H](NCC1CCC(C#N)CC1)c1ccc(F)cc1F 282437194 NJLPZPKTUCNBBS-PNESKVBLSA-N 278.346 3.945 30 20 CHED C=C(C)CCc1noc(C[C@H](C)c2c(C)noc2C)n1 285097630 KWQNKFRDNVIESH-JTQLQIEISA-N 275.352 3.529 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](C)C(F)(F)F)c1ccccc1 289971320 CULDNIZSQPWPDD-WCQYABFASA-N 285.309 3.803 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ncsc2C(C)C)c1 291884378 VWWOXNJDCNYISZ-UHFFFAOYSA-N 284.384 3.524 30 20 CHED COCCC1(CNc2c(C#N)cnc3ccc(C)cc23)CC1 291970362 OUMRSHFGTMZHAM-UHFFFAOYSA-N 295.386 3.644 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(Cl)cc2F)no1 293192685 BJIHJCRCLHAUMY-CYBMUJFWSA-N 279.702 3.720 30 20 CHED CC(F)(F)CCNc1cccc(Br)c1C#N 294318196 WLTLIFVDCIIYDT-UHFFFAOYSA-N 289.123 3.778 30 20 CHED CCCCc1noc([C@H](C)Sc2ccc(C#N)cn2)n1 298321265 UJQBZHKUYUQRJX-JTQLQIEISA-N 288.376 3.532 30 20 CHED CC(C)[C@H](Nc1ccc(C#N)nc1)c1ccccc1 301595306 RTYJOJWTKKPJLI-INIZCTEOSA-N 251.333 3.762 30 20 CHED CC(C)[C@@H](O)C(C)(C)CNc1c(C#N)cnc2ccccc12 301828706 QLFDCFMABDRPKH-QGZVFWFLSA-N 297.402 3.561 30 20 CHED CC(C)C1(C)CCN(c2ccc(Cl)c(C#N)n2)CC1 302350437 BKZDWLMIOHKRMZ-UHFFFAOYSA-N 277.799 3.869 30 20 CHED C=CCCCCNCc1ccc(OC(C)C)c(OC)c1 312710531 FTXDTPVTPLJERF-UHFFFAOYSA-N 277.408 3.928 30 20 CHED CSCCCSCc1cc(F)ccc1C#N 320463370 YYGHYXFEQFWIIQ-UHFFFAOYSA-N 255.383 3.684 30 20 CHED CO[C@@H]1CCCC[C@@H]1C(O)=Nc1scnc1C1CC1 328980609 XWVGGEFMSLKQDD-WDEREUQCSA-N 280.393 3.814 30 20 CHED N#CCCC/N=C(/O)N1CCC[C@H]1CC1CCCCC1 330833996 JVQPHFVHKOPLHM-HNNXBMFYSA-N 277.412 3.639 30 20 CHED CCc1c(C(O)=Nc2scnc2C)cnn1C(C)(C)C 330967969 AKRQDLIXMNILIX-UHFFFAOYSA-N 292.408 3.602 30 20 CHED Cc1cccc(/C(O)=N/[C@@H]2CCO[C@@H](CC(C)C)C2)c1O 331236815 MUBPMHPCJHFIDU-KGLIPLIRSA-N 291.391 3.599 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)Nc2ccc(OC(F)F)cc2)C1 331273642 HMVUEIBHASPMJZ-KOLCDFICSA-N 284.306 3.803 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 331605732 VTQYKCUNMNAYMU-USXIJHARSA-N 297.402 3.534 30 20 CHED C[C@@H](C(=O)Nc1c(F)cccc1F)c1cccc(C#N)c1 336340315 GNBWOZPKYOREPO-SNVBAGLBSA-N 286.281 3.579 30 20 CHED N#Cc1cnc(N2CC[C@@H]2c2ccccc2)c(Cl)c1 336356018 XIUOQISXZNUURZ-CQSZACIVSA-N 269.735 3.558 30 20 CHED CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 336567193 FYXZMQVGLOCYRV-UHFFFAOYSA-N 282.318 3.559 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCCCC1(C#N)CCOCC1 337201846 GHYIJKFHDIRXCH-OWCLPIDISA-N 278.440 3.501 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCC(C)(C)C1 337999587 SOVVTTVCBCQETD-CQSZACIVSA-N 270.376 3.517 30 20 CHED C=CCOc1cccnc1-c1nc(C(C)(C)CC=C)no1 340814077 GGYUSJJNBCAPGF-UHFFFAOYSA-N 285.347 3.550 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1cccc(C#N)c1F 341152997 BXOLECPXJBBBLN-MRXNPFEDSA-N 283.350 3.675 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1cc(C#N)ccn1 341729935 NKYSZCZLUZUCTK-CQSZACIVSA-N 281.359 3.980 30 20 CHED CC/C=C\CCSCC(=O)Nc1cccc(C#N)c1 342766641 UKZQSTCJNYLWFT-ARJAWSKDSA-N 274.389 3.586 30 20 CHED C[C@H](c1ccccc1)N1CC[C@H](NCC(C)(C)CCC#N)C1 344217238 QSMPAZFLTRUMPO-AEFFLSMTSA-N 299.462 3.741 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC=C(c2ccc(C)nc2)CC1 344398232 NUKQBBSYBBVYBR-CQSZACIVSA-N 284.403 3.608 30 20 CHED CC(C)(C#N)c1ccc(-c2nc(-c3ccncc3)no2)cc1 345643333 HWLBXQBUQUTZCD-UHFFFAOYSA-N 290.326 3.600 30 20 CHED Cc1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)oc1C 346793504 KYHHFKXVNVHSEC-UHFFFAOYSA-N 297.402 3.821 30 20 CHED C=C[C@@](C)(CC)c1nc(C2CCSCC2)no1 347144656 YEQRZZIYGMMINP-ZDUSSCGKSA-N 252.383 3.534 30 20 CHED C=CCOCCCN1CC2(CCC2)c2ccccc21 348194430 RJTSBSFNVQAUGA-UHFFFAOYSA-N 257.377 3.521 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cc2ccccc2o1 348343284 LFRLHZPHYGXGFT-UHFFFAOYSA-N 291.310 3.598 30 20 CHED Cc1ccc2[nH]c(CN(C)[C@@H](C)CC#N)cc2c1C 352001586 GOIGDEOJWANXOP-LBPRGKRZSA-N 255.365 3.519 30 20 CHED C=CC[C@H](C)N[C@@H](Cc1ccncc1)c1ccc(OC)cc1 353627164 ZAHDVRQQDYUJNQ-KXBFYZLASA-N 296.414 3.928 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)[C@H](C)CC 354105664 DHDSAUIZCMYHHW-NEPJUHHUSA-N 273.380 3.611 30 20 CHED N#CCCNCC(Cc1ccccc1)Cc1ccccc1 356395682 NKZZHAVVRFRUGK-UHFFFAOYSA-N 278.399 3.591 30 20 CHED C=CCCC1(C(=O)Nc2ccc(Cl)cc2O)CC1 356565429 LKWCUQSZWKCYGM-UHFFFAOYSA-N 265.740 3.731 30 20 CHED N#CCC(=O)N1CCCCC[C@H]1Cc1ccccc1Cl 357140282 KQXZSDGVXMBVLB-AWEZNQCLSA-N 290.794 3.567 30 20 CHED C=CCCN(C)c1cc(COC)nc2ccc(F)cc12 357683052 GRMKBJLTNVICCY-UHFFFAOYSA-N 274.339 3.533 30 20 CHED C=CCCCC(=O)Nc1ccc2nc(C)sc2c1 359023806 ANOHNRRLPANNNA-UHFFFAOYSA-N 260.362 3.900 30 20 CHED C[C@H](C[S@@](=O)Cc1ccc(CC#N)cc1)c1ccccc1 359435588 YOQIFGUYDXUKFB-QVKFZJNVSA-N 297.423 3.805 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCC1(C(F)F)CC1 360884533 RXZHNEIPWNZHPV-OAHLLOKOSA-N 290.357 3.961 30 20 CHED CO[C@]1(C)CCCN(c2ccc3cc(C#N)ccc3n2)CC1 366505721 PVKUAMMGYHTXQU-GOSISDBHSA-N 295.386 3.502 30 20 CHED CCCCCCCC(=O)N1CCCC[C@@H]1c1noc(C)n1 370947115 JQGZDDZAIWMKTG-CQSZACIVSA-N 293.411 3.792 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H]2C2CCC2)c1 375616662 CXAFDYDTYZDGCA-HNNXBMFYSA-N 288.778 3.616 30 20 CHED CCCCCCCC(=O)N1CCC2(CC(OCC)C2)C1 376473948 MKLRZEOMFKLZDS-UHFFFAOYSA-N 281.440 3.765 30 20 CHED N#CC1(C(=O)Nc2ccc(C(F)F)cc2)CCCC1 386282952 FWDWNZDFJNRBIN-UHFFFAOYSA-N 264.275 3.647 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C)c(Br)c1 393819211 LVNPHUVJYXYBKP-GFCCVEGCSA-N 296.208 3.842 30 20 CHED C[C@H]1CC(C)(C)C[C@H]1NCc1ccc(C#N)c(F)c1 404862954 XOWDOWYBJWFRPF-XHDPSFHLSA-N 260.356 3.612 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(F)c(Cl)c1F 410123762 QFPKFIMPIQKVBH-MRVPVSSYSA-N 273.710 3.703 30 20 CHED C=CC[C@H](CC)NC(=O)CCCOc1ccc(C)c(C)c1 410133638 ZUVORCVPLOYOEE-INIZCTEOSA-N 289.419 3.933 30 20 CHED C=CC[C@@H](CC)NC(=O)C/C=C/c1ccccc1F 410135319 FRVWIDIVRIRGFL-DNGMOHDESA-N 261.340 3.700 30 20 CHED N#CC1(CCN[C@@H](CCO)c2ccccc2)CCCCC1 411442126 GEAZZFVTFFNYGM-KRWDZBQOSA-N 286.419 3.564 30 20 CHED C[C@@H](NCCC1(C#N)CCCCC1)c1c(F)cncc1F 411730960 ZSZUBDOKUZWCCU-GFCCVEGCSA-N 293.361 3.875 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(CC=C)C1CC1 413840455 VHGGGRDZIRSKMY-MRXNPFEDSA-N 284.403 3.534 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1NCC(C)(C)CC#N 414158424 AAZWOGIVPSXUFD-LRDDRELGSA-N 274.383 3.979 30 20 CHED CC(C)(C#N)CCC[S@](=O)CCCc1ccccc1 414302902 WPLRGYMYHMPXGB-LJQANCHMSA-N 277.433 3.698 30 20 CHED COC[C@H](CC(C)C)N[C@H]1CCCc2cc(C#N)ccc21 417365827 MSWUDHQTENZLPC-WMZOPIPTSA-N 286.419 3.586 30 20 CHED CCC(CC)(CC)CNC(=O)NCc1ccc(C#N)s1 420803170 GVJVINGFGPLDFV-UHFFFAOYSA-N 293.436 3.635 30 20 CHED N#Cc1ccc(CNCc2ccc(OCC3CC3)cc2)s1 421354865 XMBONDFZNBTDRB-UHFFFAOYSA-N 298.411 3.698 30 20 CHED Cc1c(NC(=O)C[C@@H]2CC[C@@H](C)C2)ccc(C#N)c1C#N 421557301 LFUADCQBKLKMCX-DGCLKSJQSA-N 281.359 3.503 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@@]23CCC[C@H]2C3)cc1C#N 421568415 GUYRFKIAWSFZFT-SCLBCKFNSA-N 298.386 3.864 30 20 CHED COc1ccc(Cl)cc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 424330407 QMZQRBJZEZSIQG-GMXVVIOVSA-N 278.783 3.691 30 20 CHED C[C@@H]1C[C@H](CC(=O)N[C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 424976058 IXLNYYORKZMZTN-LXTVHRRPSA-N 276.424 3.647 30 20 CHED CC1(C)CCCc2cc(C#N)c(NC3CCC3)nc21 428122846 COHLJPRLRDHROY-UHFFFAOYSA-N 255.365 3.532 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C(=O)OC)c1ccc(F)c(C)c1 428397360 BVIYMUMHFUJRKD-DETPVDSQSA-N 293.382 3.539 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CC[C@@H](C)C1 429739166 BSQHELCNEZKATP-BXUZGUMPSA-N 271.364 3.519 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCCOc1ccc(F)cc1 429897233 CJHUNTXFMVFZBE-UHFFFAOYSA-N 293.382 3.655 30 20 CHED CN(CCSCc1ccccc1C#N)Cc1ccccc1 433026968 IXXMWDGDKQCWHJ-UHFFFAOYSA-N 296.439 3.923 30 20 CHED C=CCOCCCN1CC[C@@H](c2ccc(CC)cc2)C1 433082334 KIYSOBAGSVECEO-GOSISDBHSA-N 273.420 3.631 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H]2CCC[C@H]21 433377574 NFUOULQDBIQMNN-OKZBNKHCSA-N 296.414 3.550 30 20 CHED Cc1cc([C@@H](C)NC(=O)Nc2cccc(C#N)c2)ccc1F 434006081 MDXOBSKSZFRCMZ-GFCCVEGCSA-N 297.333 3.889 30 20 CHED CCCCOCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 437096589 YKYMHXQUKOFGSF-ZWKOTPCHSA-N 286.419 3.575 30 20 CHED C[C@H](CN(C)Cc1cccc(C#N)c1)c1ccc(F)cc1 437593055 MXVSQBHZKZZMLH-CQSZACIVSA-N 282.362 3.933 30 20 CHED C=CCC[C@H](NC[C@@H](c1cccc(F)c1)N(C)C)C1CC1 439078463 LKLGWPQKGBQDJK-ROUUACIJSA-N 290.426 3.763 30 20 CHED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1OC(C)C 442881300 ZEQLYYXSKHUXSJ-KBPBESRZSA-N 258.365 3.886 30 20 CHED COc1cc(CN2Cc3ccccc3C[C@@H]2C)ccc1C#N 442883831 WNNHYFAGGALQMR-AWEZNQCLSA-N 292.382 3.514 30 20 CHED C=C(C)COc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442888150 FFQMMWMFENSPHO-HIFRSBDPSA-N 256.349 3.746 30 20 CHED N#Cc1ccc(OCC#Cc2ccc(Cl)cc2)cc1F 443371860 IQHXCGXQMAOEMO-UHFFFAOYSA-N 285.705 3.781 30 20 CHED Cc1csc(CCCCNCc2ccc(C#N)c(C)c2)n1 443977061 GSHYGPFCJDKVRF-UHFFFAOYSA-N 299.443 3.744 30 20 CHED Cc1cc(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)ccc1C#N 443993554 KCPZFTRDVGJBSJ-IAGOWNOFSA-N 286.419 3.550 30 20 CHED COc1cccc(CCCN2CCCC(C)(C)[C@@H]2C#N)c1 444726977 JPYBMKPVQNXFDL-KRWDZBQOSA-N 286.419 3.642 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(C)c(C(N)=O)c1 449055806 XKJOFMSCDAMGFD-ZDUSSCGKSA-N 260.381 3.641 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 449063441 MRXWDCGQOJXAFF-ZYIQZIDLSA-N 260.425 3.873 30 20 CHED C[C@H](CNCC(C)(C)CCC#N)c1cc(F)cc(F)c1 449334460 XLOURCNNQALQMG-GFCCVEGCSA-N 280.362 3.988 30 20 CHED C=CC(C)(C)CNCc1conc1Cc1ccccc1 449486091 QDPNGXHRFNEXOK-UHFFFAOYSA-N 270.376 3.567 30 20 CHED C=CCCc1noc(CC(C)(C)c2ccccc2)n1 453249845 VRVZYITZSXUTGO-UHFFFAOYSA-N 256.349 3.709 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 454206338 OPWSZLVXTQPELN-LLVKDONJSA-N 298.333 3.614 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1cc(C)sc1C 454250503 OZYQQXKOVOEQGU-LLVKDONJSA-N 266.410 3.691 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](CC)c1ccccc1OC 455539995 OXDVTSRBNQTQNK-OAHLLOKOSA-N 290.407 3.754 30 20 CHED C=C[C@@H](CC(=O)NCCC1CC(F)(F)C1)c1ccccc1 457163316 UTXJDANTXVLXGW-AWEZNQCLSA-N 293.357 3.898 30 20 CHED C=CC(C)(C)CNC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 458992877 WVEGECCLNPQCRU-QWHCGFSZSA-N 266.429 3.807 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(CC#N)c2ccccc2)C[C@H]1C 460067193 QZXUAZBZHRUPSA-KFWWJZLASA-N 270.376 3.615 30 20 CHED C=C(C)Cn1c(CC2CC2)nnc1N1CCCC[C@H]1CC 460783854 YZIWNEXIGAQATC-OAHLLOKOSA-N 288.439 3.576 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H](C(C)(C)C)CC1 460811111 UQWBRYVTIOYKSS-OAHLLOKOSA-N 290.455 3.815 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1CC(C)C 466324339 FJUJJSMPEWDLPQ-UONOGXRCSA-N 252.402 3.561 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1OCC 466385988 MKXTZDJVGJQUFT-GFCCVEGCSA-N 262.353 3.562 30 20 CHED C[C@@H]1[C@@H](NCCc2cccc(C#N)c2)C[C@H]1c1ccccc1 467445612 LJFAMPFXGBMRQM-BEVDRBHNSA-N 290.410 3.883 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CCCC#CC 470641270 JWHOTMJFSLKUJL-UHFFFAOYSA-N 269.388 3.785 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(N(C)C(C)C)nc1 480307773 MXTYEPYKKCRCKQ-OAHLLOKOSA-N 275.440 3.761 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)CCC1 485555881 QFTFCAWIZCDPMA-HNNXBMFYSA-N 298.430 3.852 30 20 CHED Cc1ccc(NC(=O)c2cccc(F)c2C#N)cc1Cl 487587413 WMSVLYUNJOTEHM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1[nH]c(=Nc2ccc(CC(F)(F)F)cc2)ccc1C#N 488045659 DRQJTTJFLZFQRZ-UHFFFAOYSA-N 291.276 3.532 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(F)cc1OC(C)C 493342978 ARBVDYUHJOHSBC-LLVKDONJSA-N 280.343 3.699 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)Cc1ccccc1C 494705267 WMEBORQYDJODCH-NVXWUHKLSA-N 286.419 3.676 30 20 CHED CC#CCN1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 502743437 BDEMKFZGCMIIRK-QGZVFWFLSA-N 297.377 3.766 30 20 CHED C=C(C)CCc1noc(-c2ccnc3ccccc23)n1 508673383 WGCPJIVABZWBKH-UHFFFAOYSA-N 265.316 3.794 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@@H](C)C1CCCCC1 511647643 ZDJUXRVYYPRWDQ-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H](C)C1 512294919 YQQHGXIWBWOFEK-UEKVPHQBSA-N 290.794 3.766 30 20 CHED COCc1ccccc1/C=C(\C)CN1CCC(C)(C#N)CC1 512333517 GTMVSUQEVRXUCC-FOWTUZBSSA-N 298.430 3.862 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)cc1 513472555 HGLXCQAAKDBOER-QGZVFWFLSA-N 280.346 3.687 30 20 CHED C=CCNC(=O)NCC(CC)(CC)c1ccc(Cl)cc1 513927841 MPMOUORAZJZICO-UHFFFAOYSA-N 294.826 3.883 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@@H](C)c1ccc(F)cc1 521350226 JLZUQGAJVTWOQV-CYBMUJFWSA-N 278.371 3.537 30 20 CHED C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 521725227 ADTBHWRGWZNJBU-UHFFFAOYSA-N 276.689 3.910 30 20 CHED CCc1cccc2c1N(CCCC1(C#N)CCOCC1)CC2 525709771 WMXGJKGJTOYSTE-UHFFFAOYSA-N 298.430 3.712 30 20 CHED CCSc1ccccc1C(=O)Nc1cc(CC#N)ccn1 532434709 UNFCGQHLQRYKLX-UHFFFAOYSA-N 297.383 3.512 30 20 CHED C=CCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 533354543 BBZZPQQWBOVBBS-UHFFFAOYSA-N 270.351 3.972 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@H](C(C)C)CC1)OCC 533684325 IEJORLIQMUTQTD-JKSUJKDBSA-N 281.440 3.642 30 20 CHED C=CCc1cc(CN2CC[C@@H](C)[C@@H](C)C2)cc(OC)c1O 536667748 PUGXWTHTAJFICF-KGLIPLIRSA-N 289.419 3.607 30 20 CHED CC[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)(C)C 537420513 RJOJKFGJEUMXHO-HNNXBMFYSA-N 284.403 3.796 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)n([C@H](C)C2CC2)n1 537449819 KZLYFKQSYWAYOK-TZMCWYRMSA-N 289.423 3.637 30 20 CHED C[C@@H](Cc1ccsc1)N=c1ccc2cc(C#N)ccc2[nH]1 537874410 CTHCQRMEXRXLBB-LBPRGKRZSA-N 293.395 3.633 30 20 CHED CC(C)[C@@H](NCCSCc1ccccc1C#N)C1CC1 539077167 ZBMCNFGKHDVVHZ-QGZVFWFLSA-N 288.460 3.816 30 20 CHED CC[C@H](c1ccc(F)cc1)N1CCC(CC#N)CC1 541953394 KUDFXHUGUKJQNE-MRXNPFEDSA-N 260.356 3.902 30 20 CHED CCS[C@H]1CCCCN(Cc2ccc(CC#N)cc2)C1 542279264 SDXNKDDMAJFEFU-KRWDZBQOSA-N 288.460 3.860 30 20 CHED CCC[C@H]1CCCCN1Cc1ccc(C#N)cc1OC 542631627 HIQCNIMBRLNDQI-INIZCTEOSA-N 272.392 3.721 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1coc2cc(C)ccc12 546665945 HGJIEPATDJKGTL-AWEZNQCLSA-N 271.360 3.755 30 20 CHED CC#CCCCc1nc(-c2nccc3ccccc23)no1 547346450 ZROUJYXYHBDZQS-UHFFFAOYSA-N 277.327 3.631 30 20 CHED C=CCOCCCN[C@@H](C)c1ccccc1OC(C)C 548751885 RDNDKRZDSKNFRA-HNNXBMFYSA-N 277.408 3.717 30 20 CHED CC1(C)CC[C@H](NC[C@@H](C#N)CCC#N)c2ccccc21 548788371 QNKBHMDYBFOUHN-PBHICJAKSA-N 281.403 3.832 30 20 CHED N#Cc1ccccc1CN1CCC[C@@H](c2ccccc2)C1 552061507 NYIBTCJQIOQJPE-GOSISDBHSA-N 276.383 3.938 30 20 CHED Cc1ccccc1[C@@H](NCc1ccc(C#N)cn1)C1CC1 554365244 DLUNBNYYBIUWLJ-SFHVURJKSA-N 277.371 3.503 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)[C@H]2CCC[C@H]21 559426030 YPRCDUFEFSEPKE-CVEARBPZSA-N 272.367 3.708 30 20 CHED C=C1CCN(CC(=O)Nc2ccccc2C(C)(C)C)CC1 561169277 QHMURXGQNOJDKR-UHFFFAOYSA-N 286.419 3.575 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@@H](F)C1)c1ccccc1 563235721 JQPJWOQRLPAWIL-CVEARBPZSA-N 290.382 3.837 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc3cnccc3n2)n1 563680356 QMPVULLZCUKPGO-UHFFFAOYSA-N 280.331 3.534 30 20 CHED CC(C)n1cc([C@@H](C)NCCCCC(C)(C)C#N)cn1 569071274 JDTOWUIKKBXXGG-CQSZACIVSA-N 276.428 3.835 30 20 CHED CSc1ccc(CN2CCCC(C)(C)[C@H]2C#N)s1 569866412 INTADWKZLDVTGN-GFCCVEGCSA-N 280.462 3.984 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 572701656 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CC(=NN[C@H]1CCCC1(C)C)c1sc(C)nc1C 782302822 UPHWXRBGQVTOLH-LBPRGKRZSA-N 265.426 3.652 30 20 CHED Cc1ccc(C(=O)OC2(C#N)CCC2)c(Cl)c1C 783400372 MJDWWDPUPVJVOC-UHFFFAOYSA-N 263.724 3.560 30 20 CHED Cc1ccccc1C=NOCc1cc(F)ccc1C 783552164 GJDSIGKTBFXUHC-UHFFFAOYSA-N 257.308 3.993 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1nc(O)c2ccccc2n1 783856092 WXFKRLZKWVXWSG-VXGBXAGGSA-N 284.363 3.559 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@H](C)c1ccco1 783872555 GZRKECXCCRBDOU-OAHLLOKOSA-N 299.370 3.920 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1cccc(Cl)c1 784754777 FOJZROYZHJKERS-NSHDSACASA-N 264.752 3.994 30 20 CHED C=C[C@](C)(CC)C(=O)OCCCCC(F)(F)F 785758533 BHZNLDPDESZQQB-LLVKDONJSA-N 252.276 3.865 30 20 CHED Fc1cc(C=NNC2CCCCC2)c2ncccc2c1 786043091 HRFKTJKIVBJJEF-UHFFFAOYSA-N 271.339 3.630 30 20 CHED CC#CCOC(=O)CCC[C@H](C)c1cccc(OC)c1 789045649 DJKMCQFZYXWVPJ-AWEZNQCLSA-N 274.360 3.536 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccc(OCC#N)cc2)CC1 790180416 FFBBWNMJIIMWDW-UHFFFAOYSA-N 299.418 3.681 30 20 CHED CCC(=NNc1ncccc1C)c1cc(F)ccc1F 790194055 UOPOBYXFYNWZSH-UHFFFAOYSA-N 275.302 3.894 30 20 CHED CCC(=NNc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 790202768 YCOCBYFMJIAKOP-UHFFFAOYSA-N 297.189 3.953 30 20 CHED O=C(/C=C/c1ccsc1Cl)c1cncc(F)c1 790219710 LDLBKBCYUUUREC-OWOJBTEDSA-N 267.712 3.832 30 20 CHED C#CCN(C)Cc1cc2ccc(SC)cc2nc1Cl 792305041 CXSHFFRQMZCXIT-UHFFFAOYSA-N 290.819 3.675 30 20 CHED Cc1coc(C)c1C(=O)O[C@H](C)c1ccc(C#N)cc1 792767073 VUNZHAYEJGEZGB-LLVKDONJSA-N 269.300 3.686 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCC2(C)C)c1 793539605 JDHGLUJKTXIDIA-HOCLYGCPSA-N 272.392 3.646 30 20 CHED C=C(Cl)CS[C@H](Cc1ccc(C)cc1)C(=O)OC 794457894 WICMAVTVQLPUHZ-CYBMUJFWSA-N 284.808 3.565 30 20 CHED Cc1cc(C=NNc2ncccc2F)c(C)n1CC(C)C 794989469 IBINDHFLCIDJFD-UHFFFAOYSA-N 288.370 3.741 30 20 CHED C/C(C=NNc1cccc(F)n1)=C/c1ccccc1 795009479 AGLORPVSGWRIKH-TZKVCBBOSA-N 255.296 3.722 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(C3CCC3)cc2)o1 797089953 CGWZHWFRPITNJJ-UHFFFAOYSA-N 267.284 3.638 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(C)oc2ccc(OC)cc12 798554138 MOZPNSSUXXUNDV-LBPRGKRZSA-N 287.359 3.834 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(C)cc1C)C(C)C 798555400 DVBABKOTCAXYHG-NVXWUHKLSA-N 286.419 3.664 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@H](c2ccccn2)C1 799193388 JKNWZXDDWCLGOD-AWEZNQCLSA-N 297.789 3.596 30 20 CHED C[C@H]1CC[C@@H](C=Nn2c(S)nnc2-c2ccccc2)C1 800807072 QITVTTXRKWCHEM-NWDGAFQWSA-N 286.404 3.504 30 20 CHED Cc1ccc(O)c(CNCc2ccc(C#N)c(Cl)c2)c1 800896078 WTFHFIMEQAYSGD-UHFFFAOYSA-N 286.762 3.516 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCSc1ccc(C)c(C)c1 803783813 FEBDAKSLRDIRFY-INIZCTEOSA-N 291.416 3.879 30 20 CHED C=CCCCCCCNC(=O)C(C)(C)CSC 805219595 QKTYXWCAHQSYKR-UHFFFAOYSA-N 257.443 3.628 30 20 CHED C=CCCCCCCCCNC(=O)N(C)[C@@H]1CCCOC1 807592922 VSBSZUDNRPPURT-MRXNPFEDSA-N 296.455 3.724 30 20 CHED C#C[C@@H](NC(=O)c1cc(-c2ccccc2)ns1)C(C)(C)C 807880142 RMGCOFRPJKLRFD-OAHLLOKOSA-N 298.411 3.588 30 20 CHED Cc1cc(C(C)(C)C)ccc1OC(=O)c1cnccc1C#N 807956805 XYGYMFZBDDAYRN-UHFFFAOYSA-N 294.354 3.778 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=Cc1c(C)cc(N)cc1C 807990158 WDOYWQMVGGQFGM-UHFFFAOYSA-N 298.346 3.548 30 20 CHED CC(=NN[C@@H]1CCSC1)c1ccc(OCC(C)C)cc1 808000911 DCLZNAUZYIKVEF-OAHLLOKOSA-N 292.448 3.541 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(CSC)cc1 810332560 WIQYNAJQIWBZSS-UHFFFAOYSA-N 295.407 3.712 30 20 CHED C=CCCCCOC(=O)c1nc(SC)n2ccccc12 811008991 OLBGXTWZGARUJE-UHFFFAOYSA-N 290.388 3.569 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@H](OC)C1)c1ccc(Cl)cc1 811517512 UQWCWSLQLQSNJA-PMPSAXMXSA-N 277.795 3.562 30 20 CHED Clc1ccc(C=NNC[C@H]2CCSC2)cc1Cl 811660507 OJLRFVMZXJJIBE-SNVBAGLBSA-N 289.231 3.670 30 20 CHED C=CCCCCCCCNC(=O)N(C)C[C@@H]1CCCOC1 811927884 SEZYDXMYAYTHRV-INIZCTEOSA-N 296.455 3.581 30 20 CHED C#Cc1cccc(N(C(=O)CCCC2CC2)C(C)C)c1 812973152 SNRRXRRWNYOIAH-UHFFFAOYSA-N 269.388 3.990 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)C1CC1 813220196 FVZUKTZJGKBLAC-UVMWJGKXSA-N 294.276 3.633 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CC3CCC2CC3)c(F)c1 814492901 HYYVMDRJDSJZOC-ABIUDSBCSA-N 287.334 3.567 30 20 CHED CCCC(=NNc1ccccc1[N+](=O)[O-])c1cccnc1 814685415 HUCVCQSBZMBMEJ-UHFFFAOYSA-N 284.319 3.606 30 20 CHED Clc1cnc(C=NNCc2ccccc2Cl)s1 814813326 YIIPIJLJSSAPEC-UHFFFAOYSA-N 286.187 3.574 30 20 CHED COCC(=NNc1cccc(F)c1)c1cccc(Cl)c1 814814897 DREQPRYRQPQDHN-UHFFFAOYSA-N 292.741 3.942 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(C)nc1C 814905045 MAXSTODQWMTSPF-UHFFFAOYSA-N 271.339 3.982 30 20 CHED C=CCC(F)(F)C(=O)N(CC)[C@H]1CCCC[C@@H]1C 815308999 RYSROOFCTSPKHN-RYUDHWBXSA-N 259.340 3.625 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 816550045 GRTKACAIVQLXTM-AULYBMBSSA-N 299.748 3.914 30 20 CHED Cc1ccc(C=NOCCOc2ccccc2F)cc1 824693942 KMWAXUMJVZNKQT-UHFFFAOYSA-N 273.307 3.564 30 20 CHED C[C@@]1(COc2ccc(C#N)cc2F)CC1(Cl)Cl 829345715 RHBJVJFCLOWQRD-NSHDSACASA-N 274.122 3.660 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)C#Cc2cccs2)C1 832450091 BARNEXLHECHBQJ-YOEHRIQHSA-N 295.407 3.709 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)OCC(C)(C)CCC#N 835386616 LWRRMHNUOHHHBS-STQMWFEESA-N 251.370 3.686 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)Cc2ccccc2CC#N)C1 837155583 MHLSTYDLGTYTDX-YQQAZPJKSA-N 298.430 3.626 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@]2(C)CCc3ccccc32)n1 842678195 ZWNRWKFWRHJMSG-GUYCJALGSA-N 296.395 3.532 30 20 CHED C=C[C@@H](C)ONC(=O)c1cccn1[C@H](C)Cc1ccccc1 846551188 XQZGLKDLNHWRCS-HUUCEWRRSA-N 298.386 3.528 30 20 CHED Cc1cc(C#N)ccc1NCc1ccc2c(n1)CCCC2 846751004 KICHLUVITGXCKR-UHFFFAOYSA-N 277.371 3.753 30 20 CHED C=CCC[C@@H](C)OC(=O)c1ccc(C(F)F)nc1 847672246 OHGCZJZIGGQGSV-SECBINFHSA-N 255.264 3.531 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CCC(=O)C[C@H]1C 847743406 AEHHEJFZDZMPTD-MAURAIGZSA-N 292.419 3.916 30 20 CHED C#CCCCCCc1nc(C2(c3ccncc3)CCC2)no1 848616379 KUQKVYJJHOQQQS-UHFFFAOYSA-N 295.386 3.671 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\Cc2c(Cl)cccc2C1=O 849246940 YDIQZPLBFFRJBX-DHZHZOJOSA-N 298.773 3.773 30 20 CHED Clc1ccc(-c2cc(CON=CC3CC3)on2)cc1 853735540 WEVJKHFTIJMELX-UHFFFAOYSA-N 276.723 3.907 30 20 CHED CC(C)(C)OC(=O)c1cccc(CON=CC2CC2)c1 853736363 YMAMOHHSBUWYBS-UHFFFAOYSA-N 275.348 3.554 30 20 CHED C=CCC1(NC(=O)CC2CCC(OC)CC2)CCCC1 855927425 NHCVMUDLSCLVRR-UHFFFAOYSA-N 279.424 3.587 30 20 CHED Cc1cc(OC(=O)CC2(C#N)CCCCC2)ccc1C#N 857611688 HZXIJKNYMWZCKW-UHFFFAOYSA-N 282.343 3.636 30 20 CHED COc1ccc(N[C@H]2CC[C@H](C#N)C2)c2ccccc12 858522635 CHZXSSSRMFRXRN-STQMWFEESA-N 266.344 3.953 30 20 CHED C#C[C@H](OC(=O)c1nc(C)c(C)s1)c1ccc(C)cc1 860963542 XMFDQXJUFPUKPD-AWEZNQCLSA-N 285.368 3.600 30 20 CHED CC1(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)CCCC1 887704638 MZJPKAIUDQZPIY-UHFFFAOYSA-N 296.414 3.845 30 20 CHED C=C1CCC(C(=O)Nc2nn(-c3ccccc3)cc2C)CC1 888842247 GEPWAJMMJLEZJO-UHFFFAOYSA-N 295.386 3.866 30 20 CHED C=CC(C)(C)CC(=O)N(CC)c1ccc(C#N)cc1 889252325 PHUSYTFZUQZYJQ-UHFFFAOYSA-N 256.349 3.513 30 20 CHED C=C1CCC(C(=O)N2CCOc3ccccc3[C@@H]2C)CC1 893067437 JVBOOTUNCWKGJD-AWEZNQCLSA-N 285.387 3.715 30 20 CHED C=C1CC(c2noc(Cc3nc(-c4ccco4)oc3C)n2)C1 896882096 QKXOSBHBEKPRNJ-UHFFFAOYSA-N 297.314 3.650 30 20 CHED CC(=NOCCCC(C)(C)C#N)c1ccc(F)cc1 902856272 HLBMVLQYBCAAQS-UHFFFAOYSA-N 262.328 3.896 30 20 CHED CC[C@@H](NCc1ccc2c(c1)COC2)c1cccc(C#N)c1 902881606 KSUACEUAERKKFH-LJQANCHMSA-N 292.382 3.829 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ncc(C)cc1Br 904044223 LUSSMBNHRUCKME-JTQLQIEISA-N 297.196 3.693 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@@H]1[C@H](C)c1ccccc1 908644331 WNZOBTZRABBPFC-RHSMWYFYSA-N 296.418 3.545 30 20 CHED C=CCN(C(=O)CCc1ccccc1Cl)C(C)C 914683179 JMQVBDGNHQCQQK-UHFFFAOYSA-N 265.784 3.696 30 20 CHED C=C(C)CNc1ccc(-n2nc(C)cc2C)c(F)c1 917825519 RJUWOJGKJRGXDT-UHFFFAOYSA-N 259.328 3.616 30 20 CHED C#CCN1CCC(c2c[nH]c3c(CC)cccc23)CC1 917835544 AZUIXFRDTZOVQV-UHFFFAOYSA-N 266.388 3.543 30 20 CHED CCOc1ccc(C=Nc2ccc(F)cc2C)c(O)c1 920942186 PVOOVXFWYCUGCZ-UHFFFAOYSA-N 273.307 3.989 30 20 CHED Cn1ccnc1C(=O)/C=C\c1cccc(Cl)c1Cl 920963562 SUWGCGDGJCBBOI-WAYWQWQTSA-N 281.142 3.623 30 20 CHED C=CCc1cc(OCC)cc(CN(C)CCC(C)C)c1O 921045899 HYQGHSVNBFROKL-UHFFFAOYSA-N 291.435 3.997 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCOC2(CCCCC2)C1 925563450 UKRJYDDFNFLUOF-GJZGRUSLSA-N 278.440 3.786 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2cccc(F)c2)C1 926342049 INPHONAPSIYCOU-XNRPHZJLSA-N 274.383 3.990 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cc(-c2ccccc2)no1 926568434 LQWRQSRHVVMJPA-CYBMUJFWSA-N 283.375 3.932 30 20 CHED N#CCc1cccc(N2CCC[C@@H]2c2cccs2)n1 1116285166 CICMIDMIAUSCNX-CYBMUJFWSA-N 269.373 3.551 30 20 CHED CC[C@@](C)(C#N)c1nnc([C@H](C)Oc2ccccc2F)o1 1118367447 MYVGXDLWRWIFHX-BONVTDFDSA-N 289.310 3.540 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 1120641240 POWQNFMWLBOMJM-CQSZACIVSA-N 263.768 3.970 30 20 CHED CCCCC[C@](C)(CC)C(=O)N(C)[C@H](C)CC#N 1121188731 IPEIJWPPKRQNMZ-HIFRSBDPSA-N 252.402 3.744 30 20 CHED C[C@H](OC(=O)[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 1127021654 QYMYWSGCHHLHJW-DVOMOZLQSA-N 271.360 3.989 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCCC[C@H]2C)c1C#N 1161970413 JZMUEUNXYVVROA-RNCFNFMXSA-N 263.772 3.906 30 20 CHED CCOc1ccc(NN=Cc2ccc(F)c(OC)c2)cc1 1261236483 KSGFIOQMEQVDQQ-UHFFFAOYSA-N 288.322 3.679 30 20 CHED COc1ccc(C#N)cc1CN1CCC(C2CCCC2)CC1 1307508269 GXGPWNBHVSYNDJ-UHFFFAOYSA-N 298.430 3.969 30 20 CHED Cc1ccc(CC2CCN(CC3(CC#N)CC3)CC2)cc1 1307605435 GAXZMSINKDTYNX-UHFFFAOYSA-N 282.431 3.943 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1ccc(F)c(F)c1 1317743210 CSSPCFDUABYKEF-DAXSKMNVSA-N 290.265 3.575 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(C(C)(C)C)cc1 1320303622 STMSIHKAHIMXLD-BBRMVZONSA-N 261.409 3.836 30 20 CHED C=CCCCCCOC(=O)c1cnc(C)nc1C1CC1 1321187899 ODDTWYVTJBSEMK-UHFFFAOYSA-N 274.364 3.566 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H]1CCOc2ccccc21 1321395640 HGCDKVXJMICVPK-KRWDZBQOSA-N 293.322 3.547 30 20 CHED C#CC[C@H](C)OC(=O)/C=C/c1ccc2cc(OC)ccc2c1 1342559650 AYVOTNJOWUTSAU-OIOXUXFSSA-N 294.350 3.817 30 20 CHED CCc1ccccc1-c1nnc(-c2cccc(C#N)c2)o1 1345528599 GLBDFPDSTSFFBW-UHFFFAOYSA-N 275.311 3.838 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 1346751295 BVEQFAQXIPYJQU-OAHLLOKOSA-N 289.423 3.560 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 1347715733 IYFXVDXINABMOR-CYBMUJFWSA-N 289.335 3.557 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1nc2ccccc2s1 1348442381 CXOZUOSRABAVQT-UHFFFAOYSA-N 288.416 3.857 30 20 CHED Cn1c(Cl)cnc1[C@H](C#N)C(=O)CC1CCCCCC1 1349701624 HNZKNYPVBUIHKI-GFCCVEGCSA-N 293.798 3.610 30 20 CHED N#CCOc1cccc(NC(=O)c2ccc(C3CC3)cc2)c1 1354523521 MJYKNZMIYNMUBS-UHFFFAOYSA-N 292.338 3.719 30 20 CHED Cc1ccc([C@@H](C)NC(=O)[C@@H](CC#N)c2ccccc2)s1 1355855622 WDMBOZBNFBXXKK-HIFRSBDPSA-N 298.411 3.931 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)OCc1cc(C#N)ccc1F 1457387467 PGZJIZGHDRZTOO-GXTWGEPZSA-N 289.350 3.813 30 20 CHED N#Cc1cnc(Oc2ccc(F)cc2Cl)c(F)c1 1458063355 WDLXTFVETFTQRO-UHFFFAOYSA-N 266.634 3.677 30 20 CHED CC(C)Oc1ccccc1CN1CCc2ccc(C#N)cc21 1459888252 HKZUKWJCJQSRIN-UHFFFAOYSA-N 292.382 3.908 30 20 CHED Cc1ccc(F)cc1Oc1nc(C#N)c(Cl)s1 1472758632 ACSORPCRKMYCQU-UHFFFAOYSA-N 268.700 3.908 30 20 CHED C=C(Cl)CNC(=O)NC1CC(C)(C)CC(C)(C)C1 1478338897 BJAPVLWTIVISQO-UHFFFAOYSA-N 272.820 3.643 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2ccc3occc3c2)c1 1535413637 FMBXNVYVTPNXHA-UHFFFAOYSA-N 280.258 3.696 30 20 CHED Cc1nc(Nc2cccc(-c3ccon3)c2)ccc1C#N 1559287550 VXNNURHYFFPGRW-UHFFFAOYSA-N 276.299 3.660 30 20 CHED CC[C@H](CC1CCCCC1)NCc1ccc(C#N)cn1 1560869566 KOKCXLOFWWVWQM-MRXNPFEDSA-N 271.408 3.792 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCc1ccc(C(C)C)cc1 1585343150 SQDYPIQRVYMTGY-QGZVFWFLSA-N 286.419 3.893 30 20 CHED C=C[C@H](Nc1ccc(SC(C)(C)C)cc1)C(=O)O 1588702123 JTCCKLZOSMINAL-LBPRGKRZSA-N 265.378 3.628 30 20 CHED CCCCCCCN1CC[C@H](C(=O)O)[C@H]2CCCC[C@H]21 1595704707 WVUYJFJZOGWXTC-OWCLPIDISA-N 281.440 3.922 30 20 CHED Cc1ccc(NN=CC2CCCCC2)cc1C(=O)O 1600462516 AQOJNJPWNRWQTG-UHFFFAOYSA-N 260.337 3.671 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H](Cc2ccccc2)C1 1615640219 TWNSOSCRABPSPC-IEBWSBKVSA-N 276.383 3.816 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCCc1ccc(F)c(F)c1 1621307457 MHUORKQIGLKVDV-GOSISDBHSA-N 298.336 3.656 30 20 CHED N#Cc1ncccc1SCc1coc(-c2ccccc2)n1 1643924961 PCHRUUXWDWIBCH-UHFFFAOYSA-N 293.351 3.901 30 20 CHED CCCN(Cc1ccc(F)cc1)c1ccnc(C#N)c1 1650693867 LNMNCSJYSDBBQW-UHFFFAOYSA-N 269.323 3.509 30 20 CHED Cc1cc(CNc2ccc(C(C)C)nc2)ccc1C#N 1657017111 SFAJHWRMUIRMGL-UHFFFAOYSA-N 265.360 3.997 30 20 CHED COc1cc(CN2CC[C@H](C3CCCC3)C2)ccc1C#N 1658388619 YLOMPMMAPCCFOZ-KRWDZBQOSA-N 284.403 3.579 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Nc1cc(F)cc(C#N)c1 1664072458 YFOISRHPCGIXIM-GFCCVEGCSA-N 297.333 3.922 30 20 CHED CCC(CCc1ccccc1)=NNc1ccc(C(=O)O)nc1 1776071870 XAFYTYRYRJIITG-UHFFFAOYSA-N 297.358 3.591 30 20 CHED Cc1c(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)cccc1C(=O)O 1776086078 ARZHSJGYRVEWES-HZMBPMFUSA-N 298.342 3.856 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(C(=O)O)ccc1Cl 1776147792 SKVLZDQFMQYJLL-SECBINFHSA-N 281.739 3.579 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2ccc(Cl)cc2)C1 1776155467 LVEPNPIXJWIDNR-INIZCTEOSA-N 293.794 3.583 30 20 CHED C=CCCCCCN(CC)CC1CCC(C(=O)O)CC1 1776173010 DKONSXGSZIKFNN-UHFFFAOYSA-N 281.440 3.946 30 20 CHED C=CCN(Cc1ccc(C)cc1)[C@@H]1CC[C@@H](CC(=O)O)C1 1776180102 CBHDMTAXCVWBBL-IAGOWNOFSA-N 287.403 3.626 30 20 CHED C=CCc1ccccc1CN[C@@H](C)CCCCC(=O)O 1776188487 VOFQYZUOGQGXEI-AWEZNQCLSA-N 275.392 3.538 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cc(C)cc(C)c1 56475751 BMKOGZJVHDTSNS-UHFFFAOYSA-N 294.354 3.826 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(C#N)cc2)c1 57069499 IYECWZABZGJPEK-CYBMUJFWSA-N 294.354 3.988 30 20 CHED C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CCCCC#N 111309949 SHKLNCJBORZXEE-XJKSGUPXSA-N 292.810 3.796 30 20 CHED N#Cc1sc(Sc2cccc(O)c2)nc1Cl 309371675 FHXAIBPCIUOPIM-UHFFFAOYSA-N 268.750 3.525 30 20 CHED O=C1/C(=C/c2cccnc2)CCOc2c(Cl)cccc21 113771896 HVCNYRODANYLKW-FMIVXFBMSA-N 285.730 3.784 30 20 CHED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cocn1 105369544 WNLLDVOXOSFOHC-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCCN(CC#N)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 107565217 RFLKVKHZJVFUDU-MSOLQXFVSA-N 292.382 3.705 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OCC)c(F)c1 105011326 DLCPHEBMPYLLPY-UHFFFAOYSA-N 280.343 3.654 30 20 CHED Cc1ccc2c(CC(=O)Nc3sccc3C#N)c[nH]c2c1 101807953 VRUMRBPVBSSFLL-UHFFFAOYSA-N 295.367 3.591 30 20 CHED N#Cc1cccc(NCc2cc(Br)cs2)c1 20475096 UDSATXOETHMHSC-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NC(CC)CC 68374535 FYFNPJKTRHYODV-UHFFFAOYSA-N 274.408 3.615 30 20 CHED C=CC1CCN([C@H](C)C(=O)Nc2ccccc2Cl)CC1 111257147 ZNRNEOZJUWVVER-GFCCVEGCSA-N 292.810 3.565 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cccc(F)c2)cc1 111691037 GZHQLAISGQJJNE-WDZFZDKYSA-N 269.319 3.788 30 20 CHED N#Cc1ccc(N2CC[C@H](Oc3ccccc3Cl)C2)cc1 301770434 KFEKHWWZHMIDOO-HNNXBMFYSA-N 298.773 3.869 30 20 CHED CC(C)CCC1CCN(C(=O)c2cc(C#N)cs2)CC1 177941015 ILBABWQIJXPZEB-UHFFFAOYSA-N 290.432 3.908 30 20 CHED Cc1ccc(C)c(OCC(=O)Nc2cc(C#N)ccc2C)c1 63960536 RSCIWBXSTJCGCN-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cccc(-c2ccncc2)c1 119370041 YLWBQWVBGJQLAD-KBPBESRZSA-N 252.361 3.974 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1csc(C#N)c1 1436532662 CJMJHNKCZPEJQI-NWDGAFQWSA-N 276.405 3.566 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCc2ccc(C#N)c(F)c2)o1 404771505 WZBOXOBEIHNSMQ-XHDPSFHLSA-N 284.334 3.704 30 20 CHED N#CCc1cccc(N[C@H]2Cc3ccc(Cl)cc3C2)c1 313427571 MTLSVKYWRNSIDN-KRWDZBQOSA-N 282.774 3.985 30 20 CHED C=CCCCSc1nnc(Cc2ccccc2)n1CC 117546239 UALTXSHKGQSZRC-UHFFFAOYSA-N 287.432 3.947 30 20 CHED N#Cc1ccc(Oc2cc(Cl)ccc2C#N)c([N+](=O)[O-])c1 62790249 CMJYHIXIJKBSHZ-UHFFFAOYSA-N 299.673 3.784 30 20 CHED C=CCCC[C@H](C)NC(=O)C(F)(F)c1ccc(OC)cc1 179771653 WZPWLLHIADSATF-LBPRGKRZSA-N 297.345 3.648 30 20 CHED C=CCCCC(=O)Nc1ccc(N(C)C(=O)OCC)cc1 175405545 WZHANVNFUQCINB-UHFFFAOYSA-N 290.363 3.574 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)s2)c(F)c1 176401656 OZEQXLXNZNAALW-FNORWQNLSA-N 287.315 3.664 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccccc2F)c1C 65722690 RDYPXGHGOCIJDE-MDZDMXLPSA-N 272.323 3.555 30 20 CHED N#CCC[C@H](NC(=O)NCc1ccsc1)c1ccccc1 178768814 ITBAUXGIBKBIBN-HNNXBMFYSA-N 299.399 3.592 30 20 CHED C[C@H](CNCC(C)(C)CCC#N)Oc1cccc(F)c1 174581312 ADZJAUIQBNRCGY-CYBMUJFWSA-N 278.371 3.513 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc(C#N)cc1[N+](=O)[O-] 301369014 ROWYWZBTWCKBOZ-MRVWCRGKSA-N 285.347 3.624 30 20 CHED C=CCOc1ccc(CNCc2ccsc2)cc1 62103908 PPZLUOUZSYCWQJ-UHFFFAOYSA-N 259.374 3.603 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(Cl)c1F 178030457 MAPBNASECSPTTB-BQYQJAHWSA-N 292.741 3.726 30 20 CHED CC[C@@H](C)[C@H](C)N(Cc1cccc(C#N)c1)C1CC1 60562610 JISBQWQVTDEPGG-KGLIPLIRSA-N 256.393 3.957 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(C#N)cc1 37502093 AYOUYIOLQIVTFD-SNVBAGLBSA-N 285.278 3.779 30 20 CHED N#Cc1ccnc(Sc2cccc(Cl)c2)c1[N+](=O)[O-] 301660226 UCKMJOMFYUQUCP-UHFFFAOYSA-N 291.719 3.666 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(SC)o1 121521558 YJSNFKLIGNBGHH-UHFFFAOYSA-N 280.393 3.594 30 20 CHED COc1ccc(/C=C2/Cc3ccccc3C2=O)c(OC)c1 33765565 ZFNBHDZFYPETHF-UVTDQMKNSA-N 280.323 3.526 30 20 CHED C=C(C)CN(C)C(=O)c1cccc(Cl)c1Cl 180390605 ZDQAWFIFNAUXLZ-UHFFFAOYSA-N 258.148 3.642 30 20 CHED C=C(C)[C@H](NC(=O)/C=C/C=C/C)c1ccc(F)c(F)c1 186063068 ABTQKBCSRBHTRM-SBLDJATRSA-N 277.314 3.831 30 20 CHED Cc1noc(C)c1[C@@H](C)CNc1c(F)cc(C#N)cc1F 129533728 RIMZIXQJGDOSED-QMMMGPOBSA-N 291.301 3.657 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1cccc(Cl)c1Cl 183763885 VZWPIAWIYQCAML-QWRGUYRKSA-N 288.218 3.971 30 20 CHED Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1F 213189234 SLUAMEAMDFPKIU-CLFYSBASSA-N 280.302 3.658 30 20 CHED COC1CCC(N(C)CCC2(C#N)CCCCC2)CC1 411274576 PVXOJITZOWOHSY-UHFFFAOYSA-N 278.440 3.740 30 20 CHED Cc1cccc(C(C)(C)CN[C@H]2CCC[C@@H](C#N)C2)c1 185804255 VMGGVBVGKYTFPM-WBVHZDCISA-N 270.420 3.945 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccc(Cl)cc1 184909367 VEYDHRSJUNUINC-LBPRGKRZSA-N 263.768 3.711 30 20 CHED CCSc1cccc(CNc2ncccc2C#N)c1 488669268 DSOZVCLGMQBRKI-UHFFFAOYSA-N 269.373 3.677 30 20 CHED Cc1ccc(C#N)c(N2CC[C@H](Cc3ccccc3)[C@@H]2C)n1 500262771 PBUSDDPMDGHMRM-DOTOQJQBSA-N 291.398 3.719 30 20 CHED C[C@@H](Nc1ccc(CC#N)cc1)c1ccccc1[N+](=O)[O-] 37071389 KJFNETOIHLRMHW-GFCCVEGCSA-N 281.315 3.834 30 20 CHED C[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1 181355423 OXGFESQAEMTZEP-CQSZACIVSA-N 253.320 3.528 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)Cc1ccc(Cl)c(Cl)c1 120675048 DXCZRNPQKMDVST-AWEZNQCLSA-N 299.201 3.590 30 20 CHED CC(C)c1ccc(OCCN[C@@H]2CCC[C@H](C#N)C2)cc1 185791589 BRDMUCYXOLOUMK-DOTOQJQBSA-N 286.419 3.861 30 20 CHED Cc1cccc(C)c1CC(=O)N(CCC#N)CC(C)(C)C 180568640 YTDMSUWYOJUPFY-UHFFFAOYSA-N 286.419 3.634 30 20 CHED CC[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)C1CCCC1 411064071 MEZYEECBAJHAIH-KRWDZBQOSA-N 296.414 3.675 30 20 CHED CC(C)(C)CC(=O)Nc1cccc(C#N)c1Br 416076854 IFLMQLGTQFULJA-UHFFFAOYSA-N 295.180 3.695 30 20 CHED C=CCCC1(C(=O)NC2CC(C)(c3ccccc3)C2)CC1 410073041 BAOGFNLLJKNVHV-UHFFFAOYSA-N 283.415 3.969 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1coc2ccc(CC)cc12 410833978 IWCKLVDKCXMVLN-ZDUSSCGKSA-N 284.359 3.759 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1oc2ccccc2c1C 183629137 CWPWVRZACNZXOC-UONOGXRCSA-N 273.376 3.719 30 20 CHED C=CCC[C@H](CC)NC1CCC(O)(c2cccnc2)CC1 186358188 JORGQGZHOHMLJG-AOCRQIFASA-N 288.435 3.546 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccccc2OC(F)F)C1 185735891 ISYAYHAGKXJBMD-MNOVXSKESA-N 266.291 3.782 30 20 CHED CC(C)c1ccc([C@H]2CCCCN2C(=O)CC#N)cc1 185849982 KQZWAPMFYVWULI-MRXNPFEDSA-N 270.376 3.777 30 20 CHED CCC(CC)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182128524 YIWFSMOEGYECJF-LBPRGKRZSA-N 274.364 3.742 30 20 CHED C=C(C)COCCNC(=O)Nc1c(CC)cccc1CC 136922276 ZWJSJGVFBJIHTN-UHFFFAOYSA-N 290.407 3.526 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 410830971 XKQQAIFRAPHXBH-RBSFLKMASA-N 264.413 3.599 30 20 CHED CCn1ncc2ccc(N=C(O)[C@H]3CCC(=O)[C@@H](C)C3)cc21 329010677 ZQFOOVSQFIGYKJ-RYUDHWBXSA-N 299.374 3.650 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)c1cccc(F)c1C#N 610431846 CRKCXXPNMRMFDB-NSHDSACASA-N 270.307 3.600 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)N1CCC(C)(C#N)CC1 507823208 GYHNGFNSTAEOJL-MRXNPFEDSA-N 290.451 3.991 30 20 CHED CC(C)(C)CN(CCC#N)c1ccnc(C(C)(C)C)n1 611152591 MPWALJFDHSABMV-UHFFFAOYSA-N 274.412 3.540 30 20 CHED N#Cc1ccc(F)cc1CSCC1(C#N)CCC1 419585294 PXCMMXJGVOYLJH-UHFFFAOYSA-N 260.337 3.624 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1C 504567026 XMDZMLJJCMYVRU-HFAKWTLXSA-N 290.794 3.766 30 20 CHED C=C(Cl)CN[C@@H]1CCc2ccc(Br)cc21 379933826 WRRPPUCDUOUGSW-GFCCVEGCSA-N 286.600 3.779 30 20 CHED C[C@@]1(NC(O)=Nc2cccc3ccsc23)CCCOC1 329153741 UJHQDLAKYVFUMC-OAHLLOKOSA-N 290.388 3.606 30 20 CHED CCCc1cc(C(=O)N2CCC[C@](C)(C#N)C2)sc1C 612239022 VJKHRUAGKNPEQW-MRXNPFEDSA-N 290.432 3.775 30 20 CHED C=CCNC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 84167020 CMKWTXGBAQDJOF-LBPRGKRZSA-N 271.282 3.501 30 20 CHED N#Cc1cccc(NCc2cccc(Cl)c2F)c1 83442311 AMGYAILQLAZHSL-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@@H](CCc1ccccc1)NCc1cc(C#N)ccc1F 44299807 PMYLKJFFVYNCIN-AWEZNQCLSA-N 282.362 3.808 30 20 CHED C[C@@H](C#N)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 195179285 IBEDAFNITPOFIJ-LURJTMIESA-N 280.196 3.631 30 20 CHED Cc1cc(C)c(CNCc2cc(C#N)cs2)c(C)c1 177692835 HXMWLYNOZAVNRG-UHFFFAOYSA-N 270.401 3.835 30 20 CHED C=C(C)CNC(=S)N(C)[C@H](C)c1cc2ccccc2o1 44384799 URYBMLDNIQXHBH-GFCCVEGCSA-N 288.416 3.876 30 20 CHED N#Cc1csc(CN2CCC[C@H](CC(F)(F)F)C2)c1 421384437 FAMSHPHPIDNVEA-SNVBAGLBSA-N 288.338 3.784 30 20 CHED CN(Cc1ccsc1)c1nc(C(C)(C)C)ccc1C#N 613411342 OOBODZYEUBLFKS-UHFFFAOYSA-N 285.416 3.949 30 20 CHED C[C@@H]1CC[C@@H](C(O)=Nc2cccc3c2CN=C3O)C1 329270586 IWPICZVHAQFEMT-NXEZZACHSA-N 258.321 3.529 30 20 CHED C=CCn1c(SCC=C(C)C)nc2ccccc2c1=O 513954681 KOMNBTCDAMPXOR-UHFFFAOYSA-N 286.400 3.641 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425114252 SKIMOTLBPIJFHR-KBRIMQKVSA-N 284.403 3.760 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1 45026630 JCJJXQHUZSDNDM-OAHLLOKOSA-N 283.762 3.948 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(C)cc2)no1 426453935 KRLOUIXHQIJXKT-UHFFFAOYSA-N 256.349 3.823 30 20 CHED CCn1cc(C(=O)/C=C/c2cc(Cl)cs2)cn1 195337202 DJBZIMFEJNBKSG-ONEGZZNKSA-N 266.753 3.514 30 20 CHED N#CCN(Cc1ccc(Br)s1)C1CCCC1 80215248 AUJHOMKABUOOLN-UHFFFAOYSA-N 299.237 3.779 30 20 CHED C=CCN(C)Cc1ccc(OCC(C)C)c(OCC)c1 428384017 NFCLUBWYARHRPQ-UHFFFAOYSA-N 277.408 3.738 30 20 CHED Cc1cc(C)c(NC(=O)Cc2c(F)cccc2C#N)c(C)c1 335941233 CUDPEEDGMHZRGP-UHFFFAOYSA-N 296.345 3.804 30 20 CHED C=CCCCCCS(=O)(=O)c1ccc(C)cc1 143709941 MGEDFBSKGQHQFH-UHFFFAOYSA-N 252.379 3.515 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(OC2CCCC2)CC1 339620783 FRVYQTCFDIJURX-UHFFFAOYSA-N 279.424 3.539 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(-c2cn[nH]c2)c1 90498062 SXODFHTXSULHEQ-UHFFFAOYSA-N 281.359 3.784 30 20 CHED C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)C1 336074835 NTZKXIGFURXQOU-CZUORRHYSA-N 284.403 3.748 30 20 CHED C#CCCOc1ccc(CNC2CCCCC2)cc1 236683835 PONKLBSAEADXHC-UHFFFAOYSA-N 257.377 3.511 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1cccc(C#N)c1 338499218 HMNDUNAYFBYFCJ-UHFFFAOYSA-N 279.343 3.637 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(CC#N)cc2)C1 330469478 BWGJWXPZGXKFKI-DLBZAZTESA-N 284.403 3.697 30 20 CHED CC1(C)CN(c2cccc(C#N)n2)[C@H]1c1cccs1 335793232 UZHSIKXPAVZJEW-AWEZNQCLSA-N 269.373 3.602 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C\c3scnc3C)c2c1 98056090 ZYENOVPRVVGURO-WAYWQWQTSA-N 298.367 3.838 30 20 CHED Cc1cnc(-c2ccccc2N=C(O)[C@H]2C[C@H]3CC[C@H]2O3)[nH]1 330272246 XIMBEOPTXVZZLE-OSAQELSMSA-N 297.358 3.541 30 20 CHED CC1(C)CCCCN(C(=O)Nc2ccc(CC#N)cc2)C1 334789736 BWLSRKKNIBRDLK-UHFFFAOYSA-N 285.391 3.797 30 20 CHED C=CCN(C)C(=O)c1cc2c(s1)-c1ccccc1OC2 336089429 PUDSBNNBIWRVID-UHFFFAOYSA-N 285.368 3.566 30 20 CHED C=CCC[C@H](NCc1ccc(C)cc1OC)C1CC1 438989751 VIWISWZYNZZRBZ-INIZCTEOSA-N 259.393 3.838 30 20 CHED C[C@H](NCCCOC1CCCC1)c1cccc(C#N)c1 181630196 PTEJMUABKMINGJ-AWEZNQCLSA-N 272.392 3.558 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccc(Oc2ccccc2)cc1 349370253 WEDNMVQKHYSXOO-CQSZACIVSA-N 294.354 3.853 30 20 CHED COc1cccc(C[C@H]2CCCN2C[C@@H](C)CCC#N)c1 602450443 VYROSLFAHNOTPV-DOTOQJQBSA-N 286.419 3.642 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@]2(CCc3ccccc3O2)C1 529906206 XETMIQOVRIMRNO-IBGZPJMESA-N 299.414 3.585 30 20 CHED CCCN(CC1(C#N)CC1)[C@@H](C)c1ccccc1OC 343319397 ZZVTXXSSLDSTTP-AWEZNQCLSA-N 272.392 3.772 30 20 CHED N#CCCN(C/C=C\c1ccc(F)cc1)Cc1cccnc1 254954124 DUBNETXEBDGUQP-DJWKRKHSSA-N 295.361 3.650 30 20 CHED CCC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 341170757 AIKLDLMAWQNRSU-QGZVFWFLSA-N 296.345 3.969 30 20 CHED CCc1ccc([C@H](C)C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 434031088 LIBHCCHAVPGWPO-YOEHRIQHSA-N 298.430 3.893 30 20 CHED C=CCCCS[C@@H](C)C(=O)NC1CCC(C)CC1 344514519 OFFTYJWAKUYRPW-MOKVOYLWSA-N 269.454 3.769 30 20 CHED CCN(C(=O)[C@@H]1CC=CCC1)[C@@H](C)c1ccc(C#N)cc1 252016400 VUENUKYJAGGYAH-WMLDXEAASA-N 282.387 3.824 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(Cl)cc1Cl 608824439 YGKDPQZLXCHCDB-SNVBAGLBSA-N 285.174 3.661 30 20 CHED CC(=O)c1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 609119491 BYJXIRHVJZAGKK-UHFFFAOYSA-N 296.282 3.770 30 20 CHED CCN(CCC#N)[C@H](C)c1cccc(Br)c1 346665785 IKXMOTGBYUZJEA-LLVKDONJSA-N 281.197 3.746 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cccc(C)c1F 354078874 ZJNDPTOOYQNUAR-UHFFFAOYSA-N 297.333 3.690 30 20 CHED C=CCn1c(C2CCC2)nnc1N(CCC(C)C)C1CC1 351117292 QCMHWSXIFRRDSH-UHFFFAOYSA-N 288.439 3.747 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1coc2ccccc12 449244500 SYIYOPALBIVGAK-TZMCWYRMSA-N 256.349 3.646 30 20 CHED Cc1cc(COc2cccc3c2CCCC3=O)ccc1C#N 447322785 GMWOVBVTZCZAND-UHFFFAOYSA-N 291.350 3.965 30 20 CHED CCc1ccc([C@H]2CN(C[C@H](C)CCC#N)CCO2)cc1 602635848 VISPCJRIGQEGBS-CRAIPNDOSA-N 286.419 3.562 30 20 CHED CCN(CC)CCC[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 353415624 VZXCHWAIPDPPGA-KXBFYZLASA-N 299.462 3.646 30 20 CHED CCc1cnc(CNc2ccccc2SCCC#N)o1 531604939 YNHCOSWQIVGLLV-UHFFFAOYSA-N 287.388 3.855 30 20 CHED C=C(C)CCN1CCC[C@H](Oc2ccccc2OC)C1 353267796 OVDUZNCABQNPNT-HNNXBMFYSA-N 275.392 3.505 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)C1CCCC1 449298486 IFLYSHLUVSTVJX-OAGGEKHMSA-N 251.414 3.526 30 20 CHED CCc1noc(C)c1CN(Cc1ccc(C#N)cc1)C1CC1 268140547 KKULOXFHQAXPBL-UHFFFAOYSA-N 295.386 3.582 30 20 CHED N#Cc1ccc(Cl)cc1NCCn1cnc2ccccc21 357220154 ONGPARPYEVNZBX-UHFFFAOYSA-N 296.761 3.673 30 20 CHED C[C@@H]1C[C@H](CNc2ccc(C(F)(F)F)cc2C#N)CCO1 356789855 GMARUBZILOBIBH-GHMZBOCLSA-N 298.308 3.804 30 20 CHED Cc1cc(N2CCC[C@@](C)(C#N)C2)c2cc(F)ccc2n1 612108554 TWEHYWYWOWAALT-KRWDZBQOSA-N 283.350 3.812 30 20 CHED Cc1cc(C)c([C@@H](C)N2CC[C@@](F)(C#N)C2)c(C)c1 615644428 FXDAVLIKBBEPNI-GDBMZVCRSA-N 260.356 3.610 30 20 CHED CCCNC(=O)c1cccc(NC2CCC(C)(C#N)CC2)c1 449044513 AYLDBTQTULAGHX-UHFFFAOYSA-N 299.418 3.711 30 20 CHED C=CCCCC[C@H](C)Nc1cnn([C@H]2CCOC2)c1C 449541247 ZSEFMONRUURZNP-ZFWWWQNUSA-N 277.412 3.700 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 356121414 VYWSIRSRIHWEIX-FZMZJTMJSA-N 291.341 3.683 30 20 CHED CCN(CCC(C)(C)C#N)[C@@H](COC)Cc1ccccc1 538467270 CGZKPLWNPLNMSM-QGZVFWFLSA-N 288.435 3.506 30 20 CHED C=C[C@H](C)NC(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 442038930 AQQHWRHZQHKQHT-FIQHERPVSA-N 291.420 3.743 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(C)c(Cl)c1Cl 449890868 UNHNSZXOBMWUAW-SECBINFHSA-N 272.175 3.996 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2nc(C3CC3)oc2c1 267453690 HDDIQSVIMLSTRH-UHFFFAOYSA-N 291.738 3.579 30 20 CHED C=C(C)[C@H](N[C@@H]1CSC[C@H]1C)c1ccc(F)c(F)c1 449252186 UGDBCTFQQHFVLJ-KMUNFCNLSA-N 283.387 3.923 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](c2ccccc2F)C1 614398258 PMJAYNWDKOWZBF-KRWDZBQOSA-N 294.373 3.995 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1CNCC(C)(C)CC#N 459683892 CXWASBVAYVRTQF-UHFFFAOYSA-N 296.418 3.519 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)C(C)(F)F)c1ccccc1 452844811 GDHLRGXOCSOEAE-YPMHNXCESA-N 267.319 3.506 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](c2ccco2)C1 367750026 PJHKAECJWPHLPP-ZIAGYGMSSA-N 276.380 3.523 30 20 CHED CN(Cc1cc(C#N)n(C)c1)[C@H]1CCC[C@H]1c1ccccc1 459679903 QEZSKNTVNWBMFH-OALUTQOASA-N 293.414 3.665 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1 617788832 SHKVRJUZAIMVGM-CQSZACIVSA-N 296.370 3.770 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)no2)C1 617786102 UVWDLMLCSKLIIP-CQSZACIVSA-N 296.370 3.770 30 20 CHED C[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1cccc(C#N)c1 610356440 SAVBGQMRGHMHCG-STQMWFEESA-N 297.358 3.615 30 20 CHED C=CCC1(NC(=O)c2cnc(O)c3ccccc23)CCCC1 619111452 YMBLWRVAFONJHX-UHFFFAOYSA-N 296.370 3.559 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCC1CCSCC1 611392953 YWWTVRIUZKTOGF-QGZVFWFLSA-N 286.444 3.668 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC1(C)C 455090275 NWIUOFWLOFACBO-INIZCTEOSA-N 299.418 3.526 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccccc1OC1CCCC1 271111478 BQAVRXBFHWGICC-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@H](C)c1ccccc1)OCC 270134044 PWGUIBKFVXWFGI-GDBMZVCRSA-N 275.392 3.577 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(OC)c(Cl)c1 541897433 OUUVZDVNQCYZKV-NSHDSACASA-N 285.840 3.918 30 20 CHED Cc1c(Cl)cnc(NCCCCOC(C)C)c1C#N 273352471 PJFDYQDLUFUOLT-UHFFFAOYSA-N 281.787 3.532 30 20 CHED C=C(C)CCNC(=O)C1(c2cccc(OC)c2)CCCC1 456124475 SKDXYPFADBZLHS-UHFFFAOYSA-N 287.403 3.589 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](OCC2CC2)C1 364779457 OBXYEWZAVMUQTQ-KBXCAEBGSA-N 284.403 3.510 30 20 CHED CC(C)(C#N)CC(=O)N(c1ccccc1)C1CCCC1 278796089 WZRGNZZYQKEOGX-UHFFFAOYSA-N 270.376 3.902 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 455609957 DNMZIFZTQMLVAQ-FUHWJXTLSA-N 299.418 3.524 30 20 CHED CCN(Cc1ccc(F)cn1)[C@H](C)c1ccc(C#N)cc1 276370343 OFLAEZOSAGBNJZ-CYBMUJFWSA-N 283.350 3.675 30 20 CHED CC(C)(CC#N)CNC(=O)C[C@H]1CCCCC1(C)C 457994182 OBTWVCCHPTWKQC-CYBMUJFWSA-N 264.413 3.649 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1cc(F)ccc1F)C1CC1 271375857 HIRPDKHSDIGLRJ-HNNXBMFYSA-N 294.345 3.776 30 20 CHED CC(C)[C@@H](C)SCc1nnc(-c2cccc(C#N)c2)o1 361413080 AOONXCXOHJLWFL-LLVKDONJSA-N 287.388 3.886 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)/C=C/Sc1ccccc1 274316189 JHDBUSBCHSGWJC-SIFUEBAJSA-N 288.416 3.737 30 20 CHED C[C@@H](Cc1cccc(F)c1)N(C)Cc1cc(C#N)cs1 459768560 XMIVXPIWUWERTA-LBPRGKRZSA-N 288.391 3.822 30 20 CHED COCc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 271983324 ZJBJAVSNHCYUGM-CYBMUJFWSA-N 298.361 3.695 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccc(C)cc1O 273503537 QOEWFFGBMXVRMJ-HNNXBMFYSA-N 295.382 3.563 30 20 CHED C=CCCO[C@H](C)c1nc(CSCc2ccco2)no1 273723649 MQWXSRBMCVJJKY-LLVKDONJSA-N 294.376 3.750 30 20 CHED C=CCN(C(=O)COC[C@H](C)c1ccccc1)C(C)(C)C 622945785 SRRDYCLZGUPRSV-HNNXBMFYSA-N 289.419 3.620 30 20 CHED C=CCCCCCN1CCOC[C@H]1c1nc(C)cs1 375736972 UWZLSGZCOSIAFO-AWEZNQCLSA-N 280.437 3.571 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(CC#N)CC2)C1 541968608 ROMCFVSYIBWFBE-CVEARBPZSA-N 291.439 3.536 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)CC1CCC1 549263365 FXHGROQSKLOEKU-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(C)cc2)no1)OCC 270060636 UMXQJJJMSHCEDT-AWEZNQCLSA-N 272.348 3.569 30 20 CHED CC(C)CCc1ccc(NC(=O)N[C@@H](C)CC#N)cc1 547510173 XOXRGBDCZFHDCO-ZDUSSCGKSA-N 273.380 3.699 30 20 CHED C=CCN(CCc1ccc(C)cc1)Cc1ccco1 461750265 ZKWBOUIBCLCZCE-UHFFFAOYSA-N 255.361 3.819 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(-c2ccncc2)ccc1C 288458273 SGSGCUPEESFGAW-SFHVURJKSA-N 293.370 3.935 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccccc1SC 620864225 WWTHFJCIKOAZFC-UHFFFAOYSA-N 263.406 3.883 30 20 CHED C=CC(C)(C)CCN[C@@H](c1ccccc1)c1cncnc1 624037177 PEESLAHWFRAUKB-KRWDZBQOSA-N 281.403 3.758 30 20 CHED C=CCC[C@H](CC)NCCC1C[C@H](C)O[C@@H](C)C1 555233990 IDMCBFGTGRYKFZ-DZKIICNBSA-N 253.430 3.915 30 20 CHED C=CCOc1ccc(OCCOc2ccc(C#N)cc2)cc1 462662150 NFEQSDUIGCUWOR-UHFFFAOYSA-N 295.338 3.581 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc(OC(C)(C)C)cc1 285067257 KIDAHMMRZRCUQJ-ZHACJKMWSA-N 298.386 3.802 30 20 CHED C=CCC(C)(C)c1noc(CCOCc2ccccc2)n1 551499695 VTPPRMXLHNTITO-UHFFFAOYSA-N 286.375 3.683 30 20 CHED C=C[C@@H](C)NC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 465117550 HUPBBTWRFRPUGP-QSOKESPWSA-N 283.415 3.726 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC=C(c2ccccc2)C1)OCC 284784418 FPKULSPQADPDFY-SFHVURJKSA-N 299.414 3.674 30 20 CHED N#Cc1ccccc1CN1CC[C@@H](c2ccc(F)cc2)C1 556884127 PRUYYGSBMMWTLN-QGZVFWFLSA-N 280.346 3.687 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H]1CC[C@@H](C)C1 460554747 ZYXNRLUSUMIKOG-KGLIPLIRSA-N 276.428 3.602 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1cc2ccccc2s1 558113792 LJDBMTQBKGCOQZ-LLVKDONJSA-N 274.389 3.665 30 20 CHED CCC1CCC(N(C)C(=O)c2ccc(F)c(C#N)c2)CC1 284120198 CUMBQIFVCOJKCK-UHFFFAOYSA-N 288.366 3.738 30 20 CHED C=CCCOCCN[C@H]1CCC[C@H](c2ncccc2C)C1 281502331 GVDHBAAZGKNQCZ-IRXDYDNUSA-N 288.435 3.599 30 20 CHED COc1cc(Cl)c(N[C@H]2CC[C@@H](C#N)C2)cc1C 808722748 FVDHGDWQOPMTSM-MNOVXSKESA-N 264.756 3.761 30 20 CHED C=CCNC(=S)N[C@H](C)c1ccc(F)c2ccccc12 806610353 ZZDKXYFVWDDCEK-LLVKDONJSA-N 288.391 3.690 30 20 CHED Cc1ccc(-c2nc(-c3cscc3C)no2)cc1C#N 809480859 SYWNSMAHPZKASL-UHFFFAOYSA-N 281.340 3.954 30 20 CHED C#C[C@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C 809781214 JKFIYEZTALQAOD-CJNGLKHVSA-N 288.391 3.553 30 20 CHED C=C(CC)COC(=O)C(C)(C)COCc1ccccc1 800291444 UWFCZVDBQQZWJQ-UHFFFAOYSA-N 276.376 3.739 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@@H](C)C1CC1 807571817 PWOUABYOKLIBGO-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 294380851 NNKFSQGDXFHWIW-DLBZAZTESA-N 284.403 3.733 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(CCC#N)CCC(C)C 475669639 VJOSTVZXIWVRBR-HOTGVXAUSA-N 278.440 3.991 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)[C@@H](O)c1ccccc1 808721425 MJPZMODUZBPCON-BHYGNILZSA-N 261.409 3.833 30 20 CHED C=CCOc1ccc(OCC[C@H](O)c2ccccc2)cc1 808258715 VZTTWOLQLRVYJN-SFHVURJKSA-N 284.355 3.754 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCS[C@@H]2C)CCCCC1 648677667 RYNKSXODOVCILA-CHWSQXEVSA-N 267.438 3.523 30 20 CHED COc1ccc(C=NNc2nc(C(F)F)cs2)cc1 800722231 ZZUXFMUQOBDAHI-UHFFFAOYSA-N 283.303 3.535 30 20 CHED C=CCC[C@H](O)CN(C)Cc1c(CC)oc2ccccc12 472747884 JQJQWTPADUWOJB-AWEZNQCLSA-N 287.403 3.754 30 20 CHED CC1(C)C[C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccc21 471581777 KTWYCUZGIKKVFL-IOASZLSFSA-N 254.377 3.691 30 20 CHED Cc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1 806578456 SVRKZAPTHZXLIV-WQLSENKSSA-N 269.731 3.866 30 20 CHED CC[C@](C)(C#N)C(=O)OC/C=C/c1ccc(Cl)cc1 803783272 ZDKDSBXPZBVWCX-MBVDDHJVSA-N 277.751 3.836 30 20 CHED C=C(C)CN1CCC(N[C@H]2C[C@@H](C)c3ccccc32)CC1 564144807 VVRUOLPSUWVNFH-BEFAXECRSA-N 284.447 3.865 30 20 CHED C(=NNc1nccnc1C1CCC1)[C@H]1CCc2ccccc21 807994565 VBXNZSPWEQALBI-OAHLLOKOSA-N 292.386 3.872 30 20 CHED COCc1ccc(Sc2nc(Cl)c(C#N)s2)cc1 804532273 REHWAYWVBDHAAC-UHFFFAOYSA-N 296.804 3.966 30 20 CHED C#C[C@H](C)NCc1ccc(-c2ccc(Cl)cc2)o1 809683890 JQKVNSOADBXRHB-NSHDSACASA-N 259.736 3.711 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2cnccc2C#N)CC1 563739121 LSJVNDGUNQFLEJ-IBGZPJMESA-N 291.398 3.901 30 20 CHED C=C(CC)COC(=O)c1cc(Cl)c(Cl)nc1C 805720778 JEWMJBYDEWTGMP-UHFFFAOYSA-N 274.147 3.820 30 20 CHED Cc1ccccc1CSc1snc(C)c1C#N 561374032 GWAYRRRWAAOZMV-UHFFFAOYSA-N 260.387 3.924 30 20 CHED N#CCCN(C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(F)cc1 563244087 OMTAGBSMVAZRJF-JKSUJKDBSA-N 286.350 3.509 30 20 CHED C#C[C@H](/N=C/c1ccccc1O)c1ccc(Cl)cc1 811625737 UTQLHTGLJANTPW-LZNAANCOSA-N 269.731 3.839 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1cnnc2ccccc12 814849490 XOFKWYGCGPMSGY-CYBMUJFWSA-N 293.374 3.748 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc(C)cc(C)c1 815311754 XPQZZPBMTXKYJP-UHFFFAOYSA-N 254.276 3.558 30 20 CHED C=CCC[C@@H](CCC)Nc1cccc(CC(=O)O)c1 563393367 MWBRRZGBFWCRDO-CQSZACIVSA-N 261.365 3.861 30 20 CHED Cc1nc(NC[C@@H](C)c2nc3ccccc3o2)ccc1C#N 813592839 SVEBKPNOGFJZNC-LLVKDONJSA-N 292.342 3.619 30 20 CHED Cc1nc(C#N)c(NN=C2CC[C@@H](Cc3ccccc3)C2)o1 814813874 LOZDQOQHVMYYDH-AWEZNQCLSA-N 294.358 3.665 30 20 CHED CCc1ccc(CCC=NOC/C=C\Cl)cc1 811670552 VEEXYKXDBORHTQ-GZCYVLNXSA-N 251.757 3.937 30 20 CHED CC(CCCCCCC(=O)O)=NNCC1(C)CCCC1 814938089 VONGZBLJJFKQHO-UHFFFAOYSA-N 282.428 3.957 30 20 CHED N#Cc1cc(NC(=O)C2CC3(CCC3)C2)nc2ccccc12 576756564 NEQYVRQPSRRWDJ-UHFFFAOYSA-N 291.354 3.625 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)cn2)C1 570624749 ZZUBUBVPJWKVPI-NVXWUHKLSA-N 291.398 3.640 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1cccc(C3CC3)c1)C2=O 817345601 HWGPOEVPMGCTGR-XNTDXEJSSA-N 278.355 3.510 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 811685445 SGSJAMJZKDHTDI-RMKNXTFCSA-N 296.257 3.502 30 20 CHED COCc1ccccc1/C=C(\C)C=NOCC(F)F 814226474 CAJWGDCPEVTKLV-BZFVJYCRSA-N 269.291 3.504 30 20 CHED C#C[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1ccc(Cl)cc1 811517608 XLUFSVMEODUHTB-OWCLPIDISA-N 259.780 3.793 30 20 CHED N#Cc1ccc([C@H](O)CNc2ccc(C3CCC3)cc2)cc1 819479952 VONCNNJHJQHPPZ-LJQANCHMSA-N 292.382 3.971 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)CCCC)c1ccc(Cl)cc1 811950226 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N#C[C@@H]1CCC[C@H](OC(=O)c2ncoc2-c2ccccc2)C1 839054518 VROZCOQCQRBFFU-OCCSQVGLSA-N 296.326 3.581 30 20 CHED C#CCN(C(=O)Nc1cc(C)cc2ccccc12)C1CC1 836715493 IOEMAAYWKSTYDK-UHFFFAOYSA-N 278.355 3.778 30 20 CHED C[C@H]1CCCC[C@H]1N1CCC(=NNC2CCCC2)CC1 733902044 ZCIPRBAKUQRNHJ-WMLDXEAASA-N 277.456 3.549 30 20 CHED COCOc1ccc(C#N)cc1-c1cccc(C(C)(C)C)n1 904885741 ROKTXXQKOODMCI-UHFFFAOYSA-N 296.370 3.900 30 20 CHED CC(=NOC(C)C)c1cccc(-c2ccncc2)c1 835000926 SVBSXZHRGQRZLG-UHFFFAOYSA-N 254.333 3.898 30 20 CHED Cc1cccc([C@@H](C)OC(=O)COc2cccc(C#N)c2)c1 736027909 GIPVJYXCILWUBC-CQSZACIVSA-N 295.338 3.550 30 20 CHED CC(C)(C)C#CC(=O)N(Cc1ccc(Cl)cc1)C1CC1 837334351 KGSGJPZYDKZAHQ-UHFFFAOYSA-N 289.806 3.881 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1cc(C)nc(C)n1 917545749 ZPKSQVFMUWGBBV-UHFFFAOYSA-N 286.354 3.653 30 20 CHED CCO[C@@H]1C[C@@H](N[C@@H](C#N)c2ccccc2)C12CCCC2 595482391 OLGRFSGHVOMJRN-GVDBMIGSSA-N 284.403 3.579 30 20 CHED C=CCCC(=NNc1ncc(F)cc1F)C1CC1 835022906 VUQMEWRVCWIYLJ-UHFFFAOYSA-N 251.280 3.504 30 20 CHED C=CCC[C@H](NCc1cc(C)nc(C)n1)c1ccccc1 671302827 BFQBFLNIKHIGCK-SFHVURJKSA-N 281.403 3.891 30 20 CHED C=CCC[C@@H](N[C@H](C)CCCCO)c1ccccc1 679356723 HQXFPMASLPSLHO-NVXWUHKLSA-N 261.409 3.835 30 20 CHED CCN(C(=O)c1cccc2c1ccn2CC(C)C)[C@@H](C)C#N 598361708 OMQBMUKIGGVHDK-AWEZNQCLSA-N 297.402 3.671 30 20 CHED COc1ccc(C#N)cc1N=Cc1cc(Cl)ccc1O 747362125 NVQGELMOGVAAQT-UHFFFAOYSA-N 286.718 3.676 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1F 748686305 VAJFYDWDLAFIBR-GFCCVEGCSA-N 283.302 3.924 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc3ncccc3c2)c1 915979642 XGDRQVSSZWPQNR-UHFFFAOYSA-N 297.308 3.637 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1c(C)n[nH]c1C 910087275 OWXIIHUBVYTTRC-NSHDSACASA-N 265.401 3.564 30 20 CHED CCCCCCCCNC(=N)NCc1occc1C 849102509 KAPJYELOBYJNJV-UHFFFAOYSA-N 265.401 3.562 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 593958341 JWJPEWYULBXGCC-DAYGRLMNSA-N 298.430 3.774 30 20 CHED CC[C@H](C#N)N(C)C(=O)C/C=C/c1ccc(C(C)C)cc1 594086241 QTTAVCPHJSMJPY-DKRLNXSXSA-N 284.403 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C=CC[C@H]1CCC(=NNc2cccc(C(=O)O)c2)C1 844564807 HDJHTCQHMPEFAO-NSHDSACASA-N 258.321 3.529 30 20 CHED CC(C)c1ccc(C(C)(C)NCCOCCC#N)cc1 590166108 PTWZORWLRQBMGW-UHFFFAOYSA-N 274.408 3.565 30 20 CHED C=C(C)CNC(=S)Nc1cccc(CSCC)c1 741486853 JQEQABKZLOSEQQ-UHFFFAOYSA-N 280.462 3.802 30 20 CHED CC/C(=C\C(=O)OCCCC#N)c1ccc(C)cc1 745127398 VZZULGWMWUSZDX-WYMLVPIESA-N 257.333 3.635 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)OCC#Cc1ccccc1 920120945 HQUGVMWKWCMTNF-UHFFFAOYSA-N 289.334 3.685 30 20 CHED C=C(C)CN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 751558567 CFGPNGISUVMKBE-ZWKOTPCHSA-N 273.420 3.931 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ccc([N+](=O)[O-])cc1 921254262 UZDXRTKFHGBKJV-UHFFFAOYSA-N 281.315 3.666 30 20 CHED Oc1cccc(/C=N\CCCn2ccc3ccccc32)c1O 920944515 NFTPTFMUQIGNAZ-UYRXBGFRSA-N 294.354 3.562 30 20 CHED C=CCCN(C)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 682416189 CCUXGANRORIFSR-AWEZNQCLSA-N 298.390 3.532 30 20 CHED Cc1cc(C)nc(NN=CC[C@@H](C)c2ccccc2)n1 755457359 ZXZJBAQGZLZAJA-GFCCVEGCSA-N 268.364 3.685 30 20 CHED 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CSc1ccc(F)cc1CN[C@@H](C)CC(C)(C)C#N 925191312 MSMRKKXJCNEOEV-NSHDSACASA-N 280.412 3.966 30 20 CHED C=C[C@H](CC(=O)O[C@@H]1C=CCCC1)c1ccccc1 758912822 OHZAHHHGNSQDBO-GDBMZVCRSA-N 256.345 3.998 30 20 CHED CCCCCCCNC(=O)N(C)Cc1cccc(C#N)c1 858110109 JFQVQQCECPRWJL-UHFFFAOYSA-N 287.407 3.670 30 20 CHED CCC(=NNc1cccc2c1CCCC2)c1ccn(C)n1 758113199 NSKINLFCIXVIRS-UHFFFAOYSA-N 282.391 3.525 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1F)C1CCSCC1 853396320 FNHHWHDYLFDNID-UHFFFAOYSA-N 297.355 3.665 30 20 CHED CC(Cc1cccc(F)c1)=NNc1cccc(C#N)c1 759193394 LZEXXRVSFMFTLY-UHFFFAOYSA-N 267.307 3.728 30 20 CHED C=CCC1(NC[C@H](O)c2ccc(F)c(F)c2)CCCCC1 859746667 WACSIERZOMLCJC-INIZCTEOSA-N 295.373 3.867 30 20 CHED Fc1cccc(Cl)c1CCC=NOCC(F)(F)F 755798923 UJANVCSPCPGKJH-UHFFFAOYSA-N 283.652 3.976 30 20 CHED C#C[C@@H](OC(=O)[C@H]1CC=CCC1)c1ccc(C)cc1 860965814 QYSVJAGXLJDXFF-JKSUJKDBSA-N 254.329 3.569 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 760128267 YRYWQNBZNWSBSX-NVXWUHKLSA-N 298.430 3.829 30 20 CHED Cc1ccc(F)c(CN(C)c2snc(Cl)c2C#N)c1 767383267 XZZGTNQTMAWYQM-UHFFFAOYSA-N 295.770 3.752 30 20 CHED CC(CCCC(C)C)=NNC(=S)Nc1ccccn1 767804495 UPYRDUMOAAITGN-UHFFFAOYSA-N 278.425 3.570 30 20 CHED CCOc1ccc(O)c(/C=N\C2CCC(F)(F)CC2)c1 761181163 ODUNVOOKBUNRND-ZDLGFXPLSA-N 283.318 3.788 30 20 CHED O=C(/C=C\c1ccc(Cl)s1)c1cscn1 769262435 BYPMOHNVJIJPGL-IWQZZHSRSA-N 255.751 3.754 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)CCC2CC2)c1 768793584 PDLZIKKUZYBICQ-GFCCVEGCSA-N 272.417 3.533 30 20 CHED C=CCOCSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 865362508 XLTZEVCTXHVLKS-DGCLKSJQSA-N 281.425 3.590 30 20 CHED Cc1cc(OC(=O)C2(c3ccccc3F)CC2)ccc1C#N 765096077 VMMXYQOKYUQJQL-UHFFFAOYSA-N 295.313 3.643 30 20 CHED CC(C)(C)CCCC(=O)Oc1ccc(C#N)cc1F 769737568 BFQMLUJBHIRMAV-UHFFFAOYSA-N 263.312 3.819 30 20 CHED C#CCN(C(=O)N[C@H](c1ccc(CC)cc1)C(C)C)C1CC1 764678515 MLRVOJNFVDQQHK-SFHVURJKSA-N 298.430 3.753 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cccc(CO)c1)c1ccncc1 760161698 ZHPADKFWDNFCGD-KBXCAEBGSA-N 282.387 3.542 30 20 CHED CCC(=NN[C@@H]1CCSC1)c1cc(C)ccc1C 863112972 ILHZKULOPPXOMI-CYBMUJFWSA-N 262.422 3.513 30 20 CHED C#CCC(C)(C)C(=O)N1CCCc2c(C)cc(C)cc21 767078486 ASHKMNBFLVKENQ-UHFFFAOYSA-N 269.388 3.632 30 20 CHED C#CC[C@@H](OC(=O)/C=C/c1ccc2[nH]ccc2c1)C1CC1 765961329 YFHDBPJHPLFWCP-HFTQHKIXSA-N 279.339 3.526 30 20 CHED C=CC(C)(C)CNC(=O)/C=C/c1ccc(SC)s1 861895431 FJXUXAVPZIDXKW-SOFGYWHQSA-N 281.446 3.812 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H]2COc3ccc(C)cc32)c1 763097015 MTFSWITYDXKLPW-JJLFXSABSA-N 297.354 3.652 30 20 CHED Cc1cc(C)c(/C=C/CN2CCC(C#N)CC2)cc1C 876653924 WDZREPXWBFNBAS-SNAWJCMRSA-N 268.404 3.861 30 20 CHED FC(F)(F)CNN=Cc1csc(Cl)c1Cl 761826612 FAJMDPZKBQFKHB-UHFFFAOYSA-N 277.098 3.541 30 20 CHED CC(=NOCc1c(C)ccc2ccccc12)c1cnn(C)c1 764549645 NGLIBIYPFNYKJH-UHFFFAOYSA-N 293.370 3.823 30 20 CHED Cc1ccc(C(C)(C)C(=O)Oc2ccc(C#N)cc2F)cc1 769737872 IXIFUEITLQANHI-UHFFFAOYSA-N 297.329 3.889 30 20 CHED C#CCCCCCc1nc(-c2cccc(C)c2)no1 761397288 LSBCFYHDLFAOGR-UHFFFAOYSA-N 254.333 3.781 30 20 CHED CCCCCCC(=O)OCc1ccc(CC#N)cc1 776111719 AMVBLBNXIUCLKX-UHFFFAOYSA-N 259.349 3.766 30 20 CHED C/C=C(\C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 770445684 BQVYBJREDUNBGG-BZFUBLJMSA-N 274.389 3.649 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1ccc(C#N)cc1 776782906 NCNQLAFCXXRKOF-UHFFFAOYSA-N 286.338 3.861 30 20 CHED CC(Cl)(Cl)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 777295623 NIEOEOZKOCNFGH-JTQLQIEISA-N 293.153 3.605 30 20 CHED C#CC[C@H](NCc1ccc(Cl)cn1)c1ccccc1 778234293 JMNFARPYKALKSU-INIZCTEOSA-N 270.763 3.589 30 20 CHED C[C@H](CSc1ccccc1)C(=O)OCCC(C)(C)C#N 776386142 RVHVKNLSESMBIG-CYBMUJFWSA-N 291.416 3.898 30 20 CHED CC(C)C(CNCc1ccc(O[C@H](C)C#N)cc1)C(C)C 775014058 YCHPODCRTAGKAW-OAHLLOKOSA-N 288.435 3.995 30 20 CHED O=C(/C=C\c1ccccc1F)c1ccnc(Cl)c1 779461403 ZXGKDCTUODPZNX-WAYWQWQTSA-N 261.683 3.770 30 20 CHED C[C@H]1CC(C)(C)CN1c1ccc(C#N)c(Br)c1 1458430267 FRVCQOIJRMZBTC-JTQLQIEISA-N 293.208 3.946 30 20 CHED COc1ccc(Cl)cc1C=NNc1cc(Cl)ccn1 777907025 LPPSGKXDPNORMK-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C=CCCOCCCCC(=O)Nc1cnc(Cl)c(C)c1 775762899 KQTFKCAATYUNGW-UHFFFAOYSA-N 296.798 3.745 30 20 CHED C#CCN(C(=O)c1ccc(C(C)C)nc1)C1CCCCC1 772087823 XCBDQEXHWYOTJQ-UHFFFAOYSA-N 284.403 3.613 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccccc1CC#N 776886556 MAAWFIKLVRCRAB-AEFFLSMTSA-N 298.430 3.770 30 20 CHED CCC1CCC(Nc2cc(C#N)ccc2OC)CC1 1560743915 CAYZFXOSOCMVJG-UHFFFAOYSA-N 258.365 3.948 30 20 CHED C=C(C)CN(C)Cn1ccn(-c2cccc(C)c2)c1=S 777959350 GKZQZSZUXBOXOL-UHFFFAOYSA-N 287.432 3.782 30 20 CHED COc1ccc(O)c(C=Nc2ccc(Cl)cc2OC)c1 773906805 ODWYYKXJZCEDHI-UHFFFAOYSA-N 291.734 3.813 30 20 CHED C#CC[C@@H](NCCCc1cccc(OC)c1)c1ccccc1 775401089 QEWKBECSHWWYBO-HXUWFJFHSA-N 293.410 3.982 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1ccsc1C#N 1126826569 WKOFWAGGVNQDAW-LLVKDONJSA-N 264.394 3.708 30 20 CHED COc1cc(F)cc(NN=C2CCC(C)(C)C2)c1 783854428 QXYQENJPBUXZPO-UHFFFAOYSA-N 250.317 3.812 30 20 CHED C#C[C@H](C)NC(=O)Nc1cccc(-c2cccs2)c1 789833933 BXSBLZHKKHAWPH-NSHDSACASA-N 270.357 3.558 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cncc2ccccc12 784661695 UTLGLYNOUPVXFB-UHFFFAOYSA-N 282.343 3.722 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccc(Cl)nc1 783849207 NARJGHOTTZGLRP-WDEREUQCSA-N 251.761 3.959 30 20 CHED CC(C)(C(=O)Nc1ncc(C#N)s1)C1CCCCC1 896484274 DZAUQGRWDWAGRB-UHFFFAOYSA-N 277.393 3.560 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNc1ncncc1Cl 780274983 HVAGZMUOZJZCGR-GHMZBOCLSA-N 280.803 3.990 30 20 CHED Cc1ccccc1CCC(=O)OCCCC(C)(C)C#N 783481028 XCLOBHZTKVTXDN-UHFFFAOYSA-N 273.376 3.801 30 20 CHED C#Cc1ccc(C(=O)OCCCc2ccccc2Cl)nc1 785309069 XLSLWWIWLUFUOO-UHFFFAOYSA-N 299.757 3.506 30 20 CHED CCN(CC1CCC(C(C)C)CC1)C[C@H](C)C#N 1204827343 TZLAXTQBLPCZRX-QQFBHYJXSA-N 250.430 3.930 30 20 CHED CC1(C)CCC/C(=C/c2cnn(C3CCC3)c2)C1=O 899363245 IRXLRMGCTNTFKF-LCYFTJDESA-N 258.365 3.771 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc(C(C)(C)C)cc1 796756913 ZEZPAAIZGAQLFI-INIZCTEOSA-N 259.349 3.829 30 20 CHED Cc1cc(/C=C2/CCc3ccc(O)cc3C2=O)ccc1C#N 794960505 UHBOECCWNPGJHS-DHDCSXOGSA-N 289.334 3.785 30 20 CHED Cc1c(Cl)cccc1C(=O)N1CCc2c(C#N)cccc21 1130108192 KTHDHPCFRFVTIG-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(C)C 799042663 KPZUGDJITYILLG-WCQYABFASA-N 295.835 3.595 30 20 CHED CC(C)[C@H](C)N(C(=O)c1ccc(C#N)n1C)c1ccccc1 894230526 QXYCYWBITDUPQL-AWEZNQCLSA-N 295.386 3.588 30 20 CHED C/C(C=NNCCC(F)(F)F)=C\c1ccccc1 794552565 OOHNPGNATIAYEQ-VYRZMWHGSA-N 256.271 3.618 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NN=C1CCC13CCOCC3)C2 799886975 IEKVUXKQVKJVMI-LXZKKBNFSA-N 290.451 3.737 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccnn1C(C)C)C2=O 794935732 SZFGBKGVMRXIKB-UVTDQMKNSA-N 266.344 3.595 30 20 CHED COCC[C@@H]1CCCC1=NN[C@@H]1CCCCC1(C)C 799887183 PZIAOXPWEULRFC-DZGCQCFKSA-N 266.429 3.737 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(C)c(C)o1 799885225 CKNSHOFBHKBCLZ-UHFFFAOYSA-N 291.282 3.780 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(C)c(OC)c1 796914295 WEVRJWIHPZAWQU-UHFFFAOYSA-N 262.349 3.649 30 20 CHED C[C@H](OC(=O)[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1 796375209 OQUJUTKRMSBXSD-GWCFXTLKSA-N 279.286 3.598 30 20 CHED C#C[C@H](CCC)NC(=O)N(Cc1ccccc1)CC(C)C 791069527 MHTUBICASPKSOL-QGZVFWFLSA-N 286.419 3.656 30 20 CHED CCC(=NNc1ncccc1C)c1ccccc1F 790193204 YDYWXZUZEUXLBP-UHFFFAOYSA-N 257.312 3.755 30 20 CHED CC1(C)CCC[C@H]1NN=C1CCC[C@H]1c1ccccn1 794935615 JAONVCTZIGSOSS-XJKSGUPXSA-N 271.408 3.873 30 20 CHED C#C[C@@H](NC(=O)N1CCC(c2ccccc2C)CC1)C(C)C 798552657 KRVJUEGFUGGBBY-GOSISDBHSA-N 298.430 3.542 30 20 CHED CCc1ccc(C(C)(C)CNc2cc(C#N)nc(C)n2)cc1 1306986278 FWMICCFEFGTNHN-UHFFFAOYSA-N 294.402 3.609 30 20 CHED N#Cc1ccc(SCc2cn3ccccc3c2C#N)cc1 1307294202 VHOHHCKBLFEEQT-UHFFFAOYSA-N 289.363 3.975 30 20 CHED Cc1ccc2c(c1)N([C@H](C)c1ccc(C#N)cc1)CC2 1307537330 BXNCXAUCUFZTRB-CQSZACIVSA-N 262.356 3.990 30 20 CHED CN(Cc1cc2ccccc2[nH]1)C(=O)C1(C#N)CCCCC1 1319141810 GTBRGFXKWUQVJS-UHFFFAOYSA-N 295.386 3.600 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)CS1 397832313 DAFLRGUGHPUJNF-LDYMZIIASA-N 252.770 3.518 30 20 CHED CN(C)c1ncccc1/C=C\C(=O)c1coc2ccccc12 1322875067 FMWZTBIJXASTJH-KTKRTIGZSA-N 292.338 3.790 30 20 CHED N#Cc1cc(F)ccc1CN1CCCc2sccc2C1 730430949 VEVSESDCTHTCRE-UHFFFAOYSA-N 286.375 3.707 30 20 CHED C=CCCCOC(=O)c1ccc(Br)cc1F 735527506 IVRKJMQVVKJJBC-UHFFFAOYSA-N 287.128 3.711 30 20 CHED C=CC(C)(C)CCNc1nc(Cl)c(C(=O)O)s1 706560794 IMQJCFIHBDIQOX-UHFFFAOYSA-N 274.773 3.509 30 20 CHED C=CCN(C)C(=O)/C=C\c1cc(Cl)cc(Cl)c1 1320480069 CNBAYLMUSVRXIQ-PLNGDYQASA-N 270.159 3.651 30 20 CHED Cc1sccc1CN[C@@H](C)c1cccc(C#N)c1 590186850 LQAIRHVQPMWUBT-NSHDSACASA-N 256.374 3.779 30 20 CHED Nc1ccc(C=NOCc2ccc(F)cc2)c(Cl)c1 1324099729 CFYTUOFESQCEBY-UHFFFAOYSA-N 278.714 3.612 30 20 CHED CCc1ccccc1NN=Cc1cccc2cn[nH]c12 1329399901 VKTBAGNZEMSMNH-UHFFFAOYSA-N 264.332 3.571 30 20 CHED Cn1c(Cl)cnc1CSCc1cc(C#N)ccc1F 1331364433 NEYFUAIHXRTBMO-UHFFFAOYSA-N 295.770 3.518 30 20 CHED CC(C)CN(Cc1ccccc1)Cc1ccc(C#N)cn1 572659473 HNWDBLKZVRVILM-UHFFFAOYSA-N 279.387 3.611 30 20 CHED C[C@@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)c1ccco1 1331453591 RAPZXNYLDMNFBW-CYBMUJFWSA-N 294.354 3.840 30 20 CHED C=C(CC)C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 1263803982 FXVJJDPXIQYKJR-UHFFFAOYSA-N 288.778 3.603 30 20 CHED N#CCc1cccc(NCC2(c3ccccc3F)CCC2)n1 1261510583 DGAZFECULCWHMS-UHFFFAOYSA-N 295.361 3.821 30 20 CHED C=C[C@@H](CC(=O)N1c2ccncc2C[C@@H]1C)c1ccccc1 1347083389 PTWPLJWFFFMIEM-GJZGRUSLSA-N 292.382 3.719 30 20 CHED C=C[C@H](C(=O)N1CCC[C@H](CSC)C1)c1ccccc1 1352229307 BOLOPEBNENUTEN-HOCLYGCPSA-N 289.444 3.558 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C)nc1Cl 1355130089 LJEOISORASVNGJ-UHFFFAOYSA-N 264.756 3.750 30 20 CHED C=C(Cl)COC(=O)c1oc2ccc(F)cc2c1C 806256607 MBGPUWKTBBPWKI-UHFFFAOYSA-N 268.671 3.790 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CCCCCC1 1515741491 WLPBCMNSBMRWRO-ZDUSSCGKSA-N 294.468 3.659 30 20 CHED CC[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@H]1C 1459986788 PCYFXABSKNRDEQ-STQMWFEESA-N 292.810 3.863 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ncc(C#N)cc1C 1525453624 VRXDWQALEKUAOY-HZPDHXFCSA-N 299.418 3.598 30 20 CHED Cc1cc(C#N)cc(NC(=O)Cc2coc3ccccc23)c1 1525310979 XGZUHJRHMDZSCM-UHFFFAOYSA-N 290.322 3.794 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C2C(C)(C)C2(C)C)cc1 1524111410 PWFRDYGRKLKXFH-HNNXBMFYSA-N 298.430 3.954 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C3CCC3)cc2)n1 1523629712 MFLIQPXLPFCDGC-UHFFFAOYSA-N 291.354 3.782 30 20 CHED Cc1ccc(NN=C2CC[C@H]2C2CCC2)cc1C(=O)O 1600463450 ZCRRIEGTVHIZBM-ZDUSSCGKSA-N 272.348 3.671 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1F)c1cc(C)oc1C 1602990771 GRYJQMKKPOAWMS-UHFFFAOYSA-N 290.294 3.570 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1532511479 NMGRFADAIALVDI-MWLCHTKSSA-N 278.302 3.601 30 20 CHED CC[C@@H](Sc1cncc(C#N)n1)c1ccccc1 1472726213 WOVWBDBMHUVQBI-CYBMUJFWSA-N 255.346 3.592 30 20 CHED CCC[C@@H](NCc1ccc(OC)c(C#N)c1)[C@@H]1CC1(C)C 1621498179 OSHWEXULOHSZGB-JKSUJKDBSA-N 286.419 3.871 30 20 CHED N#Cc1cnc(N(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)c(F)c1 1639323484 PEQHAOLBSFPYGL-AEGPPILISA-N 299.393 3.887 30 20 CHED C[C@H](CC(C)(C)C#N)NCC[C@@H]1CNc2ccccc21 1575921900 HZKFODWWVJYJNP-ZIAGYGMSSA-N 271.408 3.504 30 20 CHED CC[C@@H](C)[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)O 1594928311 GIXAXCLRIHXGPV-PRHODGIISA-N 283.780 3.803 30 20 CHED Cc1ccc(OCCN(C)Cc2ccc(C#N)c(C)c2)cc1 1664091634 KYCGQESLDLXCPU-UHFFFAOYSA-N 294.398 3.686 30 20 CHED COc1ccc(NC(=O)N[C@@H](C)CCC(C)C)cc1C#N 1664152837 LUZYYFJLZVVUJY-LBPRGKRZSA-N 289.379 3.513 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(CC23CCC(CC2)C3(C)C)C1 1776158753 WQXPUAJSCIAFJB-ZCDVPAHGSA-N 291.435 3.556 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(/C=C/C(=O)O)cc1 1777476696 WDMWXCJEOCEFML-CDJQDVQCSA-N 282.295 3.582 30 20 CHED C=CCN(CC=C)C(=S)Nc1ccc(C)c(C)c1 13824150 UKGHFXRRMARAMP-UHFFFAOYSA-N 260.406 3.674 30 20 CHED CCCC[C@@H](NC(=O)c1sccc1C#N)C1CCC1 158706361 IQZAOUYONWCLQP-CYBMUJFWSA-N 276.405 3.708 30 20 CHED C/C(=C/C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 153557151 ACXKQKZZUNUPHP-AHKFDXCISA-N 268.360 3.504 30 20 CHED C=C[C@@H](C)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F 154216356 ULEZCZNPGZENPQ-WDEREUQCSA-N 285.309 3.890 30 20 CHED CCC(=O)Nc1ccc(C)c(NCc2ccc(C#N)s2)c1 155453592 IUXCTNCLAQIHSZ-UHFFFAOYSA-N 299.399 3.889 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H](C#N)C(C)(C)C)c[nH]c2c1 154428665 PMHPRDVKWIMMTO-HNNXBMFYSA-N 284.359 3.500 30 20 CHED C=CCCSCC(=O)N(C)[C@@H](C)c1ccccc1OC 154972026 PZILVEDXIPTWCY-ZDUSSCGKSA-N 293.432 3.524 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2c(F)cccc2F)cc1 809607499 BMBUDVRMHMLQNH-LBPRGKRZSA-N 271.310 3.797 30 20 CHED CSC1(CNc2nc3ccccc3cc2C#N)CCC1 227988407 RYIPPXLRQLTNOW-UHFFFAOYSA-N 283.400 3.804 30 20 CHED COc1ccc(C#N)cc1COc1ccc(Cl)c(F)c1 156273532 HLVGRCFHHDDVLS-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)Cc1ccccc1C#N 53422318 OFLULOWHBVSROW-CYBMUJFWSA-N 268.335 3.890 30 20 CHED CC(C)CN(Cc1ccccc1)c1cccc(C#N)n1 339216553 OYTDGPTZAWQHIJ-UHFFFAOYSA-N 265.360 3.616 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)c2nccc(C#N)c2Cl)C1 342441957 QBVVVXPGCMHTMB-VXGBXAGGSA-N 295.839 3.717 30 20 CHED Cc1ccnc(NC[C@H](C)COCc2ccccc2)c1C#N 343501291 CDSWWZZEGXNVEV-AWEZNQCLSA-N 295.386 3.527 30 20 CHED C=C1CCN(c2cc(Br)c(C#N)cc2F)CC1 382588392 WPEOFYCYHLNCOU-UHFFFAOYSA-N 295.155 3.616 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1ccc(C#N)cc1F 396894033 YFQRJFKTIQEROK-HNNXBMFYSA-N 260.356 3.708 30 20 CHED Cc1cc(C)cc(CSc2ccncc2C#N)c1 399376029 MDEFCWSZFYWILK-UHFFFAOYSA-N 254.358 3.862 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCC[C@@H]2C(F)(F)F)o1 610511630 TYJGHOICDGVGHK-MFKMUULPSA-N 286.297 3.610 30 20 CHED C=CCNC(=S)N[C@H](C)c1ccc(Cl)cc1Cl 7678827 WCPGDXZXRMZYBH-MRVPVSSYSA-N 289.231 3.705 30 20 CHED COc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1F 22817879 HTNDZKVKTBHKPT-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C[C@H](NC(=O)c1cc2ccsc2[nH]1)c1ccc(C#N)cc1 26127685 CNCZKCWCHHRALN-JTQLQIEISA-N 295.367 3.592 30 20 CHED Cc1cc([C@@H](C)Nc2cc(C#N)ccn2)c(C)s1 44388260 VJXYVUCODWZDQK-SNVBAGLBSA-N 257.362 3.805 30 20 CHED C=C(Cl)CSc1nc(-c2ccccc2)c[nH]1 48425584 PFAKQXWCAKPSKS-UHFFFAOYSA-N 250.754 3.921 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1C 56475812 JDIMZKKAHAXRPA-UHFFFAOYSA-N 294.354 3.826 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1Sc1ccccc1Cl 70789601 GOLTYWQJCWUKGL-UHFFFAOYSA-N 291.719 3.666 30 20 CHED C[C@H]1CCC[C@H]1Nc1nc2ccccc2cc1C#N 71385941 HENUCDMRRMRTJO-SMDDNHRTSA-N 251.333 3.707 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)C 71868002 KUZXGNBXWNLIRL-UHFFFAOYSA-N 272.392 3.731 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1cccc(C#N)c1 73629854 LYKZZWOMVPEJAT-YOEHRIQHSA-N 299.418 3.668 30 20 CHED Cc1cccc(C)c1C(=O)Nc1ccc(F)c(C#N)c1 74729711 JRWTTXKFLYNFJY-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@@H](C)C(C)C 74917263 IZXIWTAEZNMYKQ-KGLIPLIRSA-N 287.407 3.695 30 20 CHED CCCCCOCC(=O)Nc1sc(C)c(CC)c1C#N 75678598 MMYYBKDXBGQXBJ-UHFFFAOYSA-N 294.420 3.636 30 20 CHED Cc1nc(NC(=O)CCC(C)(C)C)sc1SCC#N 78076990 RPZSJKJKWXYMMI-UHFFFAOYSA-N 297.449 3.832 30 20 CHED Cc1ccc(OC(F)F)c(C(=O)/C=C/c2cccnc2)c1 78288812 VMGMBJCBPOHIRD-AATRIKPKSA-N 289.281 3.888 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(CCC#N)CC(F)(F)F)C1 80857434 UECYEBRPIFVYJQ-NEPJUHHUSA-N 290.329 3.507 30 20 CHED N#CCCCCNC(=O)N1CC2(CCCC2)c2ccccc21 83719735 FYZLOPUCFCHMOG-UHFFFAOYSA-N 297.402 3.722 30 20 CHED CC[C@@H](C#N)OC(=O)c1sc2ccc(OC)cc2c1C 84697203 JTDHABAPBCOQOK-JTQLQIEISA-N 289.356 3.677 30 20 CHED CC(C)(C)Oc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 85437168 QXEXBCAUYCWPGL-AWEZNQCLSA-N 288.391 3.532 30 20 CHED C=C(C)COCCN[C@H](CC)c1cc(F)ccc1F 90450951 DGSUMSDBIIJQDJ-OAHLLOKOSA-N 269.335 3.598 30 20 CHED N#CCCCOc1cccc(CN2CCC3(CCC3)C2)c1 93455849 VHMGVUGVCLPIDZ-UHFFFAOYSA-N 284.403 3.745 30 20 CHED Cc1cc(C)cc(CSc2ccc(C#N)cn2)c1 96465920 OUMCSYSDXQPIQZ-UHFFFAOYSA-N 254.358 3.862 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)ccc1O 96765415 YVIVMDLWUCANJH-KXFIGUGUSA-N 290.265 3.575 30 20 CHED CCCC(=O)Nc1cccc(NCc2ccccc2C#N)c1 98127968 JYPPQFRWIHSOMZ-UHFFFAOYSA-N 293.370 3.909 30 20 CHED C=C(C)CN(CC)C(=O)NCC1(c2ccccc2C)CC1 102578930 PTMNXDZBYAVRPL-UHFFFAOYSA-N 286.419 3.634 30 20 CHED CCC(CC)(C(=O)NCC#N)c1ccc(Cl)c(Cl)c1 103433538 KJXGQPSJKVDVMD-UHFFFAOYSA-N 299.201 3.691 30 20 CHED CC[C@@H](C/N=C(/N)Nc1cccc(OC)c1)c1ccccc1 104156506 QCVLOQLUXCSPQI-AWEZNQCLSA-N 297.402 3.616 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 110361541 JXWXRQDZBSDJLG-STQMWFEESA-N 289.341 3.780 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 115971230 YMUVEMBBJAKINA-GFCCVEGCSA-N 282.318 3.830 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(C(C)(C)C)cc1 120655288 KGYSTAXOXFDOAM-KRWDZBQOSA-N 272.392 3.652 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccncc1C 120951453 XGTKSEQQWOKFGX-UHFFFAOYSA-N 287.407 3.990 30 20 CHED CC(C)(CCCc1ccccc1)CNC(=O)C1(C#N)CCC1 121225811 ZGHYHWWXMNBGCH-UHFFFAOYSA-N 298.430 3.846 30 20 CHED Cc1nc(C(C)(C)C)sc1[C@H](C)NCC(C)(C)C#N 122304075 FKJRWMPPDXUYHO-JTQLQIEISA-N 279.453 3.949 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(F)cc1OCC#N)C(C)C 124178940 UNPDMQQCJVNYDY-CYBMUJFWSA-N 292.354 3.739 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C1=CCCCC1 126727754 YISOSXHNCMRVBJ-UHFFFAOYSA-N 285.387 3.710 30 20 CHED CC(C)C[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 127684622 CGMUNYDHJYMKAY-KBPBESRZSA-N 260.381 3.502 30 20 CHED CCOCc1cccc(NCc2ccc(OC)c(C#N)c2)c1 128921114 RIECIBACXJFGSP-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(CC)s1 129365359 BJTTWRJCMDMKID-NSHDSACASA-N 255.452 3.880 30 20 CHED C=CCCC(=O)O[C@@H](C)c1c(F)cccc1-n1cccn1 130956656 AAOZWMGMKHUKLH-LBPRGKRZSA-N 288.322 3.582 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(CC#N)cc2)C1 131597551 LJFNSIWEOHQCCM-TZMCWYRMSA-N 256.349 3.517 30 20 CHED CC(=O)Nc1cccc(NCC#Cc2ccc(F)cc2)c1C 135549673 YRYUANBAWXJDNV-UHFFFAOYSA-N 296.345 3.556 30 20 CHED CCCCCCCCNC(=O)/C=C/c1ccc(O)c(O)c1 135759979 DWBPZEWVSALRKR-PKNBQFBNSA-N 291.391 3.588 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C)cc1Br 136163696 NJNJSJANBUZSLL-CYBMUJFWSA-N 295.180 3.636 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(-c2ccncc2)on1 156767016 MBEFAXNMZVUNAD-UHFFFAOYSA-N 299.374 3.555 30 20 CHED C=CCCCOc1ccc(N(C)C(=O)NC(C)C)cc1 156946296 BKJNZPMXKSTWFY-UHFFFAOYSA-N 276.380 3.586 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccccc1OC(C)(C)C 157457449 ICRKYFPWCZQREB-LBPRGKRZSA-N 289.379 3.678 30 20 CHED N#CCCN(C/C=C/c1ccc(F)cc1)Cc1cccnc1 159057786 DUBNETXEBDGUQP-GORDUTHDSA-N 295.361 3.650 30 20 CHED CCCN(Cc1ccccc1)Cc1ccc(C#N)o1 160476749 CDADXPMIEVKUFV-UHFFFAOYSA-N 254.333 3.563 30 20 CHED C=CCCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 162193177 HRWBAURNDWMRIJ-JOHJCKIYSA-N 261.409 3.675 30 20 CHED COc1ccc(OCc2ccc(C#N)cc2Cl)cc1 162969493 RRSGMHHYDPDXIS-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=CC[C@H](C)N[C@H]1CCc2cc(Br)ccc2C1 163310062 GEIMLWGSFXWIGF-NHYWBVRUSA-N 294.236 3.861 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](O)CCC)cc1 163638743 ZWCCMLVLZHDQGW-HIFRSBDPSA-N 297.826 3.630 30 20 CHED C=C(Br)CN[C@H](CC)c1ccc(F)cc1F 167352377 IHEPAKDKDTVRKI-GFCCVEGCSA-N 290.151 3.914 30 20 CHED N#Cc1ccccc1/C=C/c1nc(C2CCCC2)no1 171795054 REQVURRYIOBWBM-MDZDMXLPSA-N 265.316 3.769 30 20 CHED CC[C@@H](NCCCCC#N)c1ccc(F)cc1F 172620646 RLEJZYZWZXKEGY-CQSZACIVSA-N 252.308 3.699 30 20 CHED COCc1cccc(/C=C2\Cc3ccccc3C2=O)c1 172814121 ZVZGQKHSKXRVEG-MHWRWJLKSA-N 264.324 3.655 30 20 CHED C[C@@H](NC[C@H]1CCc2ccccc21)c1ccc(C#N)cc1 174075964 OELNAXDELYFZNG-RDTXWAMCSA-N 276.383 3.939 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2ccc(F)cc2C#N)C1 174339836 WSXKAMIKVNGROF-HOTGVXAUSA-N 292.423 3.803 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccccc1)c1ccncc1 175203248 KMLNIPRWHOGUFJ-SFHVURJKSA-N 280.371 3.644 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(OC)cs1 176819807 POBHLSCFRWWVKF-UHFFFAOYSA-N 293.432 3.965 30 20 CHED CC[C@H]1CCc2ccccc2N1C(=O)c1cc(C#N)cs1 177432885 NJRMDYAQNLVKFN-AWEZNQCLSA-N 296.395 3.991 30 20 CHED CCN(C(=O)c1csnc1C)[C@H](C)c1ccc(C#N)cc1 179677481 GYMVKVUFZMSGFL-GFCCVEGCSA-N 299.399 3.547 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@H](C)[C@@H]2C)c1 179824577 DKKQRGWQOLIEHY-KBPBESRZSA-N 288.391 3.904 30 20 CHED C=C(C)CN(C)C(=O)CCCCCc1ccc(OC)cc1 180421854 RGJKEWCADWYNCR-UHFFFAOYSA-N 289.419 3.833 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1nc2ccccc2n1C 182184602 ANCSWMWXSAECAU-ZIAGYGMSSA-N 271.408 3.969 30 20 CHED C[C@@H](NCc1ccccc1C#N)c1ccc(F)cc1F 182270872 OYNDLCLZEJEBPD-LLVKDONJSA-N 272.298 3.687 30 20 CHED COc1ccc(/C=C/C(=O)c2sccc2OC)cc1F 184770048 JQRVLZDYFFXXKP-HWKANZROSA-N 292.331 3.801 30 20 CHED CC#CCCCC(=O)N1CCC(Cc2ccccc2)CC1 184869424 FSXLKGMNCJGUPI-UHFFFAOYSA-N 283.415 3.661 30 20 CHED CC#CCCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 185623256 BQSQYWKCMCKJMF-ZBFHGGJFSA-N 287.378 3.724 30 20 CHED CCOc1cccc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 185804640 VQCNQDKODFTTJH-IJEWVQPXSA-N 272.392 3.818 30 20 CHED Cc1cc(C#N)ccc1CS[C@@H](C)c1cnccn1 186086830 LDCNOHCGTDZHDY-LBPRGKRZSA-N 269.373 3.651 30 20 CHED C#CCCCCN[C@H](C)c1ccc2ccccc2c1O 186104032 RQVSYYDJMGWSGE-CQSZACIVSA-N 267.372 4.000 30 20 CHED C=C(C)[C@H](N[C@H]1CCSC1)c1ccc(F)c(F)c1 186453250 VIOCRRAMJVMORM-FZMZJTMJSA-N 269.360 3.677 30 20 CHED C=CCC[C@@H](CC)N[C@H](C)C1CCN(C(=O)OCC)CC1 187698823 NQCOFJHFLSHMSQ-GDBMZVCRSA-N 296.455 3.578 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 188091072 BBXFQYLGPLGVOA-GFCCVEGCSA-N 290.319 3.567 30 20 CHED C=CC[C@H](C(=O)Nc1cc(C)ns1)c1ccccc1 188323070 ICXYJMNDAHFZEO-ZDUSSCGKSA-N 272.373 3.750 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Sc1ccccc1 188461994 DJCZLVRFDAPPBO-CJNGLKHVSA-N 277.433 3.886 30 20 CHED C=CCOc1cccc(CN2CCSCC[C@H]2C)c1 191821707 ZQZKBSJYPGZUQD-CQSZACIVSA-N 277.433 3.579 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCc2cccc(Cl)c2)C1 192977458 CAMYKUSHOMZWCI-ZBFHGGJFSA-N 276.811 3.945 30 20 CHED N#C[C@@H]1CCC[C@H](NC2(c3ccccc3)CCC2)C1 193088519 USALYLDUBPUTKC-ZBFHGGJFSA-N 254.377 3.738 30 20 CHED C=C[C@@H](CC(=O)OCc1cc(C)sn1)c1ccccc1 193497529 FTBBONITZYCVJS-ZDUSSCGKSA-N 287.384 3.855 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cc(C)sc2C)o1 195331954 MQANCFRLWSIYQA-GQCTYLIASA-N 290.340 3.641 30 20 CHED C=C(C)CN1CCC(NCc2ccc(C)c(Cl)c2)CC1 195441944 MZVGEGKREJGSTR-UHFFFAOYSA-N 292.854 3.779 30 20 CHED N#Cc1ccc(OC(=O)/C=C\c2ccc(Cl)cc2)cc1 212253818 BGBOUOUXZDZZQW-YHYXMXQVSA-N 283.714 3.830 30 20 CHED C=CCOc1ccccc1C(=O)OCc1ccc(F)cc1 219714075 ZUOKAUCIWVDHGA-UHFFFAOYSA-N 286.302 3.748 30 20 CHED N#Cc1ccc(Cl)cc1NCC[C@H]1CCCCO1 227316078 ILTUZQAQCNJGNA-CYBMUJFWSA-N 264.756 3.583 30 20 CHED COCCC(C)(C)CNc1ccc(Cl)cc1C#N 230839551 AKYDBVRUONVVNP-UHFFFAOYSA-N 266.772 3.686 30 20 CHED CN(CC1CCCCC1)c1nccc(C#N)c1Cl 234280697 PUARWWMGFJUTPV-UHFFFAOYSA-N 263.772 3.623 30 20 CHED CSCC[C@H](C)N(C)CCCCC(C)(C)C#N 235054045 AXBLMLNXQQDXQW-ZDUSSCGKSA-N 256.459 3.780 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1F 254952405 MWZOPQWFCOYFJW-DJWKRKHSSA-N 290.265 3.575 30 20 CHED N#Cc1ccc(/C=C2\CSc3ccccc3C2=O)s1 255413986 SNUALYWTVOWMPY-JXMROGBWSA-N 283.377 3.992 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])o1 255504490 MARGICTUEWAMFE-CLFYSBASSA-N 271.272 3.646 30 20 CHED Fc1ccc(C=NOCCCOc2ccccc2)cc1 255776581 QPOGMSBRVGLIRF-UHFFFAOYSA-N 273.307 3.645 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CCc1ccc(Cl)cc1Cl 264674250 ZGERTNVYACSAIY-CYBMUJFWSA-N 299.201 3.590 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cccc2ncccc12)OCC 270129073 GUBVYDBIUVGLSP-INIZCTEOSA-N 285.343 3.512 30 20 CHED Cc1cc(N[C@@H](C)c2c(F)cccc2F)nn1CCC#N 271010978 JVMWKXIJEFOQGQ-NSHDSACASA-N 290.317 3.557 30 20 CHED C=CCN(C(=O)c1oc2ccccc2c1C)C1CC1 271503233 KVUURUMNIYNGJX-UHFFFAOYSA-N 255.317 3.532 30 20 CHED Cc1ccnc(N2CCC[C@H]2c2ccc(F)cc2)c1C#N 273425551 ZRDZRDCOZUMNHM-INIZCTEOSA-N 281.334 3.742 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(-c2ncco2)ccc1C 274318894 KAHOCWHDBFOYHJ-UHFFFAOYSA-N 282.343 3.638 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccs1 275274674 LZHAWLRXKJLUOR-GFCCVEGCSA-N 256.374 3.813 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cn(C(C)C)nc1C)C2 280915676 GCOSQKKKNSMLJD-DHDCSXOGSA-N 280.371 3.903 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(F)(F)F)cn2)n1 285276461 ZHVBZSISOJAWIH-UHFFFAOYSA-N 283.253 3.659 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(-c2ccccn2)s1 285803409 AODUUIJSTKKCIN-HNNXBMFYSA-N 287.388 3.746 30 20 CHED C=CCC[C@H](NC1CCSCC1)c1ccco1 286303833 WWOKVEIOUAHMNZ-ZDUSSCGKSA-N 251.395 3.772 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(C#N)cs2)C1 286337441 LURXSXOUTUWCJC-SWLSCSKDSA-N 296.395 3.843 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 289105128 QALBRVAHAMEOCZ-GJZGRUSLSA-N 299.418 3.517 30 20 CHED N#CCCCC(=O)Nc1ccc(Cl)cc1OC(F)F 291819754 SCGBUHBUCWRNHD-UHFFFAOYSA-N 288.681 3.574 30 20 CHED C=CCC(C)(C)CNC(=O)CCCc1nc2ccccc2[nH]1 294285700 PXSDDZIBCLBZCG-UHFFFAOYSA-N 299.418 3.604 30 20 CHED C#CC[C@H](NCc1ccc(O)c(OCC)c1)c1ccccc1 297562264 HFXPLQWWAZXSOO-KRWDZBQOSA-N 295.382 3.645 30 20 CHED CC1(C)CN(C(=O)Nc2cccc(C#N)c2)[C@H]2CCC[C@H]21 297601378 ZGPRRPPEMMAWQO-CABCVRRESA-N 283.375 3.601 30 20 CHED C=CCCCCCCNC(=O)c1cc(Cl)ccn1 310615002 DRPWHHWWOLACOV-UHFFFAOYSA-N 266.772 3.601 30 20 CHED COc1cc(C#N)ccc1OC[C@H]1CCCC(F)(F)C1 312133930 WJMIVISFIXTIDS-LBPRGKRZSA-N 281.302 3.771 30 20 CHED CCc1noc(C)c1N=C(O)[C@H]1CCC(=O)c2ccccc21 328795909 CTMNARRMVUUOOG-ZDUSSCGKSA-N 298.342 3.894 30 20 CHED CO[C@@H]1[C@H](C)[C@@H](/N=C(/O)c2cncc3ccccc23)C1(C)C 329212180 HPZVYLKJRUIHKI-HFBAOOFYSA-N 298.386 3.599 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc3ccn(C)c23)CCC1=O 329923073 GUDLHJFMEWMNQR-WCQYABFASA-N 284.359 3.772 30 20 CHED Cc1coc(C)c1/C(O)=N/[C@@H](C)c1nc(C(C)(C)C)no1 330470555 MTTDUWALIYSGQV-VIFPVBQESA-N 291.351 3.643 30 20 CHED CCOC1(C(=O)Nc2sc(C)c(C)c2C#N)CCCC1 330509670 JHVVEAWHFFYUCM-UHFFFAOYSA-N 292.404 3.524 30 20 CHED CCCC(C)(C)/N=C(/O)c1ccc2nsnc2c1 330594620 BAAUXEKDBYOCRH-UHFFFAOYSA-N 263.366 3.575 30 20 CHED CC(C)[C@@H]1C[C@H](N/C(O)=N/[C@H](C)CCC(C)(C)C)CCO1 330627311 JZOCWRJSADIXPK-KFWWJZLASA-N 298.471 3.908 30 20 CHED CCCC[C@@H]1CCC[C@@H]1/N=C(/O)c1ncoc1CC 330820716 DAQLVHVFXQSTMM-NEPJUHHUSA-N 264.369 3.901 30 20 CHED CC[C@H](C)[C@@](C)(O)C/N=C(/O)c1csc(C(C)(C)C)n1 331258941 GPFDDTFUTQXVBT-BONVTDFDSA-N 298.452 3.542 30 20 CHED Cc1cc(CSc2nnc(C)n2C(C)C)ccc1C#N 331347298 SCFTYRKTKMCDBC-UHFFFAOYSA-N 286.404 3.640 30 20 CHED CC(C)c1ncsc1/C(O)=N/[C@@H]1CCO[C@H](C(C)C)C1 331351317 YWZOXCQQNVDWCF-NEPJUHHUSA-N 296.436 3.775 30 20 CHED C[C@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)C1CC1 331880140 PRTFKWHMYKLKRJ-BLLLJJGKSA-N 284.403 3.711 30 20 CHED C[C@H]1C[C@@H](C)CCN(C(=O)Nc2cccc(CC#N)c2)C1 334981730 IEJXJKKFKLMWCY-KBPBESRZSA-N 285.391 3.653 30 20 CHED Cc1cc(F)cc(NC(=O)N2CCC(CCC#N)CC2)c1 335397501 ZITHOSWIMOENTP-UHFFFAOYSA-N 289.354 3.682 30 20 CHED N#CCC1CCN(C(=O)Nc2c(F)cccc2Cl)CC1 335416388 JPEZHQDKNSNKAN-UHFFFAOYSA-N 295.745 3.637 30 20 CHED CC1(C#N)CCC(N[C@H]2CCCC(F)(F)C2)CC1 336217770 ONBSYHGHZZLHPD-CPCZMJQVSA-N 256.340 3.626 30 20 CHED CCCC(CCC)[S@](=O)Cc1ccccc1C#N 339150141 AWESUECLFGRGGS-GOSISDBHSA-N 263.406 3.776 30 20 CHED N#CC1(N(C(=O)CCCC2CCCC2)C2CC2)CCC1 341608054 RVGOXUGFVFHNIX-UHFFFAOYSA-N 274.408 3.784 30 20 CHED C=CC[C@H](CO)CN[C@@H](CCCC)c1ccccc1 341883797 VLCVOHSXDVLASF-RDJZCZTQSA-N 261.409 3.692 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc2c(c1)CCCC2 343582916 QTRBGKHJZOZCKN-CYBMUJFWSA-N 254.377 3.520 30 20 CHED Cc1ccc2sc(C(=O)N(C)[C@H](C)CC#N)c(C)c2c1 346041424 URASRUQAKYWDKH-LLVKDONJSA-N 286.400 3.892 30 20 CHED CCOc1ccc(/C=C\c2ccncc2C#N)cc1 347448455 RGOSNIBUMUWFJO-UTCJRWHESA-N 250.301 3.522 30 20 CHED C=C(C)CN(C)[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 351061625 HCYRUUYEKBGSMI-DOTOQJQBSA-N 288.435 3.540 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)NCCCCC#N)c1 351839783 STNMLMZQMFWPNY-CYBMUJFWSA-N 289.379 3.679 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc2ccsc12 354785476 HXPOIQRMNNYXRL-NSHDSACASA-N 273.361 3.715 30 20 CHED C[C@@H](C1CCC1)N(C)C(=O)c1cccc(SCC#N)c1 356606918 XCDRXHIXURUPFK-LBPRGKRZSA-N 288.416 3.563 30 20 CHED C=CCN(C(=O)c1csc2c1CC[C@@H](C)C2)C1CC1 357490415 GXMOUGDZLKMDCW-LLVKDONJSA-N 275.417 3.664 30 20 CHED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)C#N 357805647 JYDQZZWNPPPEAA-SECBINFHSA-N 285.174 3.502 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1CC1CCCCC1 377753550 HUTXRYRFDMRBIL-OAHLLOKOSA-N 276.424 3.888 30 20 CHED C=CCC(C)(C)CN[C@H]1CCCC12CCOCC2 380952595 QFRMGXTZKVABEU-AWEZNQCLSA-N 251.414 3.528 30 20 CHED C[C@H]1CSC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 382142642 QUZYEDBYYVLYBY-QPUJVOFHSA-N 286.322 3.740 30 20 CHED N#Cc1cc(F)cc(OC[C@@H]2CCCCC2(F)F)c1 382151112 OITCUMVCJKNXBF-NSHDSACASA-N 269.266 3.902 30 20 CHED Cc1c(F)cccc1NCc1ccc(CC#N)cc1 398960867 MNKYLIKRJBJXSE-UHFFFAOYSA-N 254.308 3.812 30 20 CHED CC[C@]1(C)CCN(Cc2ccc(C#N)cc2Cl)C1 399449421 HULFSLVJMMVXNQ-OAHLLOKOSA-N 262.784 3.834 30 20 CHED CC[C@H](CNC(=O)C1(C#N)CCCCC1)CC(F)(F)F 402430797 HZODXIVPOPDMRL-NSHDSACASA-N 290.329 3.555 30 20 CHED C=CCC1(C(=O)NC2CC(C)(c3ccccc3)C2)CCC1 410080885 GESCRIUGGQTNOP-UHFFFAOYSA-N 283.415 3.969 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc2c(s1)CCCCC2 410823652 ATISANRCNBSEIB-CYBMUJFWSA-N 290.432 3.781 30 20 CHED Cc1ccc([C@@H]2CCCN2c2ncc(C#N)cc2F)cc1 413038089 DBNWCLDYYXNTCP-INIZCTEOSA-N 281.334 3.742 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@@H](CC)CC(F)(F)F 413517103 OOPZZCAAZIKTKU-QWRGUYRKSA-N 280.334 3.619 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccco1 413814180 FJNWOEIQIZVKLL-MRXNPFEDSA-N 298.386 3.608 30 20 CHED Cc1c([C@@H](C)NCC(C)(C)CC#N)cnn1C(C)(C)C 414165073 LDLGOHKWKWWYIH-GFCCVEGCSA-N 276.428 3.537 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416111312 URGRHJAXWYIVNE-OLMNPRSZSA-N 296.414 3.878 30 20 CHED C=CCOc1ccc(CN(C)CCCCOC)cc1Cl 418130924 GWSBKQMKUKMFEK-UHFFFAOYSA-N 297.826 3.763 30 20 CHED C=C(CC)CSCc1nc(-c2cc(C)ccn2)no1 419444319 QAQRGJAZVLEFLH-UHFFFAOYSA-N 275.377 3.639 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)NCc1ccc(C#N)s1 421599379 FHYPRHYVRXYGMG-LBPRGKRZSA-N 290.432 3.842 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2csc(CC)n2)no1 424344147 LCGQZYYAUTTYMW-UHFFFAOYSA-N 277.393 3.533 30 20 CHED C=C(C)C(C)(C)c1nc(CCCSCC)no1 424363025 YOGHZUDWDQYJKZ-UHFFFAOYSA-N 254.399 3.609 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc([C@H](C)C(=O)OC)c1 424867908 ABQQQMPWMZCLNA-LBPRGKRZSA-N 289.375 3.504 30 20 CHED Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C(C)C 425447630 HBHGPIHXNWVRPI-UXLLHSPISA-N 299.418 3.684 30 20 CHED CC(C)c1ccoc1-c1noc(Cc2ccc(C#N)cc2)n1 426194789 OZCAVAAKVKJIJC-UHFFFAOYSA-N 293.326 3.915 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(C(F)(F)F)cc1 429930591 SDEZLPIOHZAAMW-UHFFFAOYSA-N 285.309 3.924 30 20 CHED CC(C)[C@@H]1N(Cc2cc(C#N)cs2)CC12CCC2 430097437 QXFDUJCRZATRLX-AWEZNQCLSA-N 260.406 3.630 30 20 CHED Cc1cncc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1 430597849 BCOISMFVHVVFQZ-LBPRGKRZSA-N 299.399 3.634 30 20 CHED N#Cc1cc(CN[C@H](c2ccccc2)C(F)F)ccc1F 433050444 BZIGCEUTBWKUSN-OAHLLOKOSA-N 290.288 3.793 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(Cl)cc2F)[C@H]1C#N 434021171 IWXDSBDSYKWOJN-ZDUSSCGKSA-N 294.757 3.633 30 20 CHED CCCc1cc(O)nc(/C(=C\c2ccccc2C#N)CC)n1 435341274 VIWGHCZPYXVVDL-RAXLEYEMSA-N 293.370 3.957 30 20 CHED CCc1ccnc(CNc2ccc(Cl)cc2C#N)c1 435590038 UKEWXBQTSQQWRI-UHFFFAOYSA-N 271.751 3.781 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@@H]1Cc1ccccc1 436303975 DEFAVRAQUGIIPZ-WTGUMLROSA-N 299.458 3.969 30 20 CHED CCCC[C@H](CCC)CNC(=O)Cc1ccc(C#N)cc1 440827095 PKFLOSWOQXQMNN-KRWDZBQOSA-N 286.419 3.823 30 20 CHED CCOc1ccccc1NCc1ccc(C#N)c(C)c1 443994370 OQFSGKAMKAYCSU-UHFFFAOYSA-N 266.344 3.878 30 20 CHED COCCN(CCCCC(C)(C)C#N)[C@@H]1CC[C@@H](C)C1 444700850 GBSGTPRWEIPVPT-HZPDHXFCSA-N 280.456 3.843 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 444751005 AMSRMGREDNEWPW-QGZVFWFLSA-N 256.393 3.621 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@H]1C)c1ccc(Cl)c(Cl)c1 448581125 ISKZUYXLSIRQFB-TVLCNXBWSA-N 297.185 3.720 30 20 CHED C=CC(C)(C)C(=O)NCc1cccc(OCC(C)C)c1 448787636 OJAWKWQCCAQXRY-UHFFFAOYSA-N 275.392 3.550 30 20 CHED C=CCC1(C(=O)NCC(O)(CCC)CCC)CCCC1 449955726 TWZLMTZUVPHIOM-UHFFFAOYSA-N 281.440 3.570 30 20 CHED CO[C@@]1(C)CCCN(c2cccc(Cl)c2C#N)CC1 450496576 YTLBGSJXXJXQSF-HNNXBMFYSA-N 278.783 3.607 30 20 CHED C[C@H]1Cc2ncn(Cc3ccc(Cl)cc3C#N)c2C[C@@H]1C 451002714 RTJZQTLTFHUVPX-RYUDHWBXSA-N 299.805 3.827 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)c1cccc(Br)c1 452718603 QJAHPJSDZHOMBL-NSHDSACASA-N 296.208 3.635 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(CC(F)(F)F)c1 454913378 VIYQXGBORMBCFX-UHFFFAOYSA-N 286.297 3.879 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccc(C2CCC2)cc1 455295039 OEFGAFIRCQAKOW-UHFFFAOYSA-N 285.391 3.968 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1Cc2cccc(F)c2C1 458627840 WOBZQBAJLBOEGZ-GFCCVEGCSA-N 276.355 3.596 30 20 CHED CC(C)CC1(C)CCN(C(=O)NCC(C)(C)CC#N)CC1 459227787 CBHQTWHIIGJLNZ-UHFFFAOYSA-N 293.455 3.784 30 20 CHED Cc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1CN(C)C 459757422 KPKBQLQHRZWSAN-GOEBONIOSA-N 271.408 3.551 30 20 CHED N#Cc1cccc(OCCNc2cccc3c2CCCC3)c1 462201938 FQWYMTZMMGTVEM-UHFFFAOYSA-N 292.382 3.928 30 20 CHED C=C[C@H](C)NC(=O)NCc1ccc(C)cc1O[C@H](C)CC 464759564 WHVMCNANJYBJSE-UONOGXRCSA-N 290.407 3.546 30 20 CHED C=C[C@H](C)NC(=O)C1(Sc2ccccc2)CCCC1 465120704 MUFBYLISCBIQDK-ZDUSSCGKSA-N 275.417 3.782 30 20 CHED C=CCCN(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 467287933 FAMIVXJAWQHFBY-UHFFFAOYSA-N 275.392 3.650 30 20 CHED C=CCC[C@H](O)CN(C)CCc1cccc2ccccc12 472665466 JTVGBQIQXNLANZ-SFHVURJKSA-N 283.415 3.641 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)CCc1ccccc1 472864930 SYKPUVSVPQMABX-HNNXBMFYSA-N 274.408 3.663 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C)c(F)c1 473501676 GPVUXJCRSLMZMF-UHFFFAOYSA-N 250.317 3.612 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C#N)C1CCCCC1 476254937 TZDCLOIZCFMXII-KBMXLJTQSA-N 276.424 3.791 30 20 CHED C=CCOCCCOc1cc(C)nc2cccc(C)c12 478823215 LDAYRMNQAVUCNR-UHFFFAOYSA-N 271.360 3.823 30 20 CHED C=C(C)CN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 482159171 NVNOBKKIOMSVFO-ZDUSSCGKSA-N 296.414 3.941 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(Cl)ccc1OCC1CC1 482671159 NQBUVRAXWQIOJY-GFCCVEGCSA-N 292.810 3.720 30 20 CHED CCc1cccc(NC(=O)N(C[C@H](C)C#N)C2CC2)c1CC 487615607 JXCXKKXYNRGLFB-CYBMUJFWSA-N 299.418 3.967 30 20 CHED C=CCN(C)C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 488894406 CBRJBKHTRSBSTG-ZIAGYGMSSA-N 257.377 3.620 30 20 CHED C=CCCC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F 490952261 FOPOFPRBCGTGEK-ZDUSSCGKSA-N 285.309 3.805 30 20 CHED C#CCN(C(=O)[C@@H](CC)CC(F)(F)F)C1CCCCC1 491662330 QLMZGLGSIOKUIS-LBPRGKRZSA-N 289.341 3.760 30 20 CHED C#CCN(C(=S)Nc1ccc2ccccc2c1)C1CC1 491746583 QKQFKPRXWZYBFM-UHFFFAOYSA-N 280.396 3.634 30 20 CHED N#CCCN(Cc1ccco1)Cc1scnc1C1CC1 495075536 SGPFRYWKOCNECF-UHFFFAOYSA-N 287.388 3.529 30 20 CHED COc1cc(C#N)ccc1COc1ccc(Cl)cc1F 499298773 DSNHHWDKQBXKBB-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc2cc[nH]c2n1 500000555 IXKWGPUZLXNFEM-UHFFFAOYSA-N 297.402 3.771 30 20 CHED C=CCN(C(=O)N[C@@H](c1ccc(F)cc1)C(C)C)C1CC1 508650425 MTGOLWSZMJVYNX-MRXNPFEDSA-N 290.382 3.883 30 20 CHED C=CCn1c(-c2cccc(Cl)c2)nnc1N(C)CCC 508819096 WQOJTMQMVMSHOW-UHFFFAOYSA-N 290.798 3.631 30 20 CHED CCc1ccc(NC(=O)c2cccc(C#N)c2C)cc1 509029670 LGHASIFOXOYLRV-UHFFFAOYSA-N 264.328 3.681 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@H](F)C1 515349439 KCILWDQYWRZKCL-STQMWFEESA-N 296.411 3.726 30 20 CHED C=CCOc1cccc(CN[C@@H]2c3ccccc3O[C@H]2C)c1 516209668 HBUBGGXSQQUNGA-LIRRHRJNSA-N 295.382 3.863 30 20 CHED Cc1ccc(CN(CCC#N)C(C)C)cc1Cl 519582236 SCFWINOCEWPEJJ-UHFFFAOYSA-N 250.773 3.773 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(c2ccccc2)CC1 527785336 IWDHZGRCGJBDSO-UHFFFAOYSA-N 284.403 3.723 30 20 CHED C[C@]1(C(=O)Nc2cccc(CC#N)c2)C[C@H]2CC[C@H]1C2 529469928 SXHUASGAFOQAGY-ZQIUZPCESA-N 268.360 3.517 30 20 CHED C=CCN(Cc1ccsc1C(F)(F)F)C1CC1 529541259 JOVCWKUHNPPGRU-UHFFFAOYSA-N 261.312 3.917 30 20 CHED COc1ccc2c(c1)CCCN(CCCC(C)(C)C#N)C2 531348154 JWIBZYMTKYMNBO-UHFFFAOYSA-N 286.419 3.773 30 20 CHED C=C(C)COCCN[C@@H]1CCCc2ccc(Cl)cc21 536846605 QSKDNIKXBQAWLK-MRXNPFEDSA-N 279.811 3.900 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(Cl)cc1Cl 538193329 BPSTXFRFZUFOKC-WDEREUQCSA-N 288.218 3.829 30 20 CHED N#CCC1CCN(C(=O)Nc2cc(F)ccc2Cl)CC1 543828987 IGTHIFQWSPTYCV-UHFFFAOYSA-N 295.745 3.637 30 20 CHED C=CCCCCN[C@@H](C)CC(=O)Nc1cccc(C)c1 546017547 RJSFDPRVFIBIPW-HNNXBMFYSA-N 274.408 3.658 30 20 CHED Cc1nnc(SC[C@@H]2CCC[C@@H](C)C2)c(C#N)c1C 546189137 VWAIUWDWURBXSQ-ZWNOBZJWSA-N 275.421 3.884 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 551288908 BVLLWBQIMJENFK-UHFFFAOYSA-N 295.766 3.667 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CC(CC)CC 552347742 QKDKVVLLYRZYTQ-UHFFFAOYSA-N 273.380 3.755 30 20 CHED N#Cc1cccc(CN2CC[C@H](c3cccc(F)c3)C2)c1F 557431838 AONXBXFYSSJDSB-HNNXBMFYSA-N 298.336 3.826 30 20 CHED CCc1ccc([C@H]2CCCN(C(=O)[C@](C)(C#N)CC)C2)cc1 557687748 QREYMOXPKZJMRP-HKUYNNGSSA-N 298.430 3.895 30 20 CHED CC#CCN(C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 559458846 KQEHJOIRWDGCFP-UHFFFAOYSA-N 288.778 3.759 30 20 CHED C[C@H]1CCCC[C@H]1OCCSc1cccnc1C#N 563412417 FACIMIHVACVEQC-GXTWGEPZSA-N 276.405 3.641 30 20 CHED N#Cc1nccc(SC2CCC(C(F)(F)F)CC2)n1 565224910 AQXVLVNIBKMMRS-UHFFFAOYSA-N 287.310 3.561 30 20 CHED C=CCOc1ccc(CNC[C@@H]2CCSC2)cc1Cl 567321712 QZFXAGOPSDJEID-ZDUSSCGKSA-N 297.851 3.748 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1(C)C 567800010 PKQVREDZLHBSAZ-NSHDSACASA-N 289.354 3.597 30 20 CHED CCC[C@@H](C#N)NC(=O)c1sc2cc(F)ccc2c1C 575832503 FLUPSMCADCZDSV-NSHDSACASA-N 290.363 3.771 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 576545850 GKWAZXIUHSKNDZ-QMMMGPOBSA-N 290.260 3.931 30 20 CHED CCOC(=O)CCCCSc1cccc(F)c1C#N 578081781 ADGMITLHCNZSGW-UHFFFAOYSA-N 281.352 3.523 30 20 CHED Cc1csc(NC(=O)N(C)C[C@H]2CC=CCC2)c1C#N 578903301 COPOSJUMTDDHNN-LBPRGKRZSA-N 289.404 3.748 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 579227929 NVNNDJUCZIFIDZ-HOCLYGCPSA-N 283.375 3.663 30 20 CHED C[C@@H]1CCC[C@@H](C)C1N[C@@H]1CCc2ccc(C#N)cc21 579413550 SBSSTUZDOFXIQT-PBFPGSCMSA-N 268.404 3.960 30 20 CHED C=CCC[C@H](NC[C@H](CO)C1CCCCC1)C1CC1 580578818 JLJKEEBCWOSOMI-SJORKVTESA-N 265.441 3.510 30 20 CHED Cc1ccc2ccnc(N[C@@H]3CC[C@H](C#N)C3)c2c1 581723049 NAFFLSOQUPMEAL-GXTWGEPZSA-N 251.333 3.647 30 20 CHED C=CC(C)(C)c1nc(Cc2ccc(F)cc2C)no1 582827313 PTLBJVPODDFOPO-UHFFFAOYSA-N 260.312 3.572 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CC=CCC2)cc1 584386172 SQOACPDTAPKSOB-SJORKVTESA-N 282.387 3.628 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N2CCC[C@](C)(C#N)C2)C1(C)C 590909925 UDWOERWKNUBDNR-XKQJLSEDSA-N 276.424 3.601 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc2cnccc2o1 593570867 ACSXYDAOJAKOBO-UHFFFAOYSA-N 271.364 3.590 30 20 CHED CC[C@@H](C#N)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 593672049 KONGFJFLLPLKPJ-LBPRGKRZSA-N 288.778 3.505 30 20 CHED C[C@H](NC1CC2(CCC2)C1)c1ccc(C#N)c(F)c1 593722544 WRLQQTRKRVBSPD-NSHDSACASA-N 258.340 3.681 30 20 CHED CC(C)CCOc1ccc(NC(=O)C(C)(C)C#N)cc1F 594174390 LVBHBZZVKFEVRU-UHFFFAOYSA-N 292.354 3.739 30 20 CHED C[C@@H](Cc1ccccn1)N[C@@H]1CCCc2cc(C#N)ccc21 594516381 WBCCLLJFJQGZMQ-IFXJQAMLSA-N 291.398 3.551 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 597034911 UJEQRWBJDVEQKI-BFYDXBDKSA-N 276.424 3.647 30 20 CHED CO[C@@H](CNC[C@H](C)CCC#N)c1cccc(Cl)c1 602563586 YRYFIKNBSXAZHK-DOMZBBRYSA-N 280.799 3.557 30 20 CHED CCC[C@@H](C)n1cc(CC2(C#N)CCCCC2)nn1 603199570 IUEDHMWMGIAOBP-CYBMUJFWSA-N 260.385 3.656 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H](C)c1ccco1 610196954 MZBMVKNOJAEYST-CYBMUJFWSA-N 276.380 3.562 30 20 CHED C=CC1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)CC1 610278021 ZHQYIEPJBUULGE-UHFFFAOYSA-N 299.324 3.787 30 20 CHED C[C@H](NC(=O)c1cc2ccccc2o1)c1cccc(C#N)c1 610361672 IKBIMPXXBHYKQD-LBPRGKRZSA-N 290.322 3.795 30 20 CHED N#Cc1cccnc1Oc1ccc(-c2cscn2)cc1 610516052 XGSGHASERFYOSJ-UHFFFAOYSA-N 279.324 3.869 30 20 CHED CC(C)Oc1ccccc1CN1CCC[C@@](C)(C#N)C1 612161249 QMZXRDHKGAUSFS-KRWDZBQOSA-N 272.392 3.599 30 20 CHED C[C@]1(C#N)CCCN(CCSc2ccc(F)cc2)C1 612162556 KZPGOQYSJRROJZ-OAHLLOKOSA-N 278.396 3.543 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](CCC)c1ccc(Cl)cc1 612263970 MAIAKVYYTAXHRE-FZMZJTMJSA-N 265.784 3.914 30 20 CHED CCN(Cc1ccoc1)Cc1ccc(C#N)cc1Cl 615224184 WTTGYZSJTIKWFJ-UHFFFAOYSA-N 274.751 3.827 30 20 CHED C=CCC1(NC(=O)[C@H](C)CCC(C)(C)C)CCOCC1 618249049 CZAHPTDRTODMAU-CQSZACIVSA-N 281.440 3.690 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC=CC1 619508373 KEXBMKLHCVZKBA-KRWDZBQOSA-N 252.361 3.634 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(-c2cccs2)on1 620863134 GXKUGEJPUZNKOW-UHFFFAOYSA-N 290.388 3.878 30 20 CHED C=CCCC(C)(C)NC(=O)CSc1ccc(F)c(F)c1 620863984 LABUSMYWDFNXIS-UHFFFAOYSA-N 299.386 3.918 30 20 CHED FC(F)(F)Oc1ccc(C#CCN(C2CC2)C2CC2)cc1 625842446 JXYJLOISSPKIDQ-UHFFFAOYSA-N 295.304 3.564 30 20 CHED C=CCCCCCn1cc(-c2cnccc2Cl)nn1 641047981 XGUMJCLXWAZSCB-UHFFFAOYSA-N 276.771 3.740 30 20 CHED C=CC[C@H](CC)NCc1ccc(O[C@@H](C)COC)cc1 657454629 CDHGKOCUSGANTG-HOCLYGCPSA-N 277.408 3.545 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCO[C@]2(CCSC2)C1 657929102 QWBCXUBUWFNKEB-WCXIOVBPSA-N 295.492 3.766 30 20 CHED C=CCN(C(=O)Nc1cccc(C(C)C)c1)[C@@H](C)COC 665262920 BYFUWDCDBKBVDB-AWEZNQCLSA-N 290.407 3.865 30 20 CHED N#C[C@H](C(=O)c1ccc(C(F)(F)F)s1)c1ccccn1 671749519 CIYQAUTUUPKXMH-QMMMGPOBSA-N 296.273 3.652 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CC[C@H](C)[C@@H]1C 685550194 BLCGLYWOHMHDDV-ZFWWWQNUSA-N 296.418 3.674 30 20 CHED CCc1ccc(Nc2cccc(C#N)n2)cc1Cl 691231476 ZHLQQDBXVBRHCB-UHFFFAOYSA-N 257.724 3.913 30 20 CHED Cc1ccc(C[C@H](C)N[C@@H](C)CC(C)(C)C#N)s1 695811098 OCLFQKAKYVKZFJ-RYUDHWBXSA-N 264.438 3.906 30 20 CHED C=CCC(C)(C)CNCc1csc(C(C)C)n1 696388171 BFSMNEFSZQUSGW-UHFFFAOYSA-N 252.427 3.958 30 20 CHED C#C[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)(C)C 705305289 IIRRDWAOTCYCNS-MRXNPFEDSA-N 265.356 3.618 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)nc(Cl)c1 717673714 UHBMVEBHXZJXGV-UHFFFAOYSA-N 266.772 3.518 30 20 CHED C=CCNC(=O)N[C@H](CCCCC)c1ccccc1 728065732 LSYARACVYJYMEO-OAHLLOKOSA-N 260.381 3.793 30 20 CHED C#CCOc1ccccc1OCc1cccc(C)c1 730566760 FHYDHTQOEFZAJM-UHFFFAOYSA-N 252.313 3.586 30 20 CHED COc1cc(Cl)ccc1C/N=C\c1ccccc1O 730732289 IEKDAWQAEXIDLP-MFOYZWKCSA-N 275.735 3.673 30 20 CHED Cc1nc2c(s1)C(=NNCCCc1ccccc1)CCC2 730952533 YPLOGMJJPCNBNT-UHFFFAOYSA-N 299.443 3.714 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 731322229 REHUQTNXHKYSRG-VMPITWQZSA-N 285.274 3.938 30 20 CHED CC(=NNc1nc2ccccc2s1)c1nccs1 732622013 OGIMJVOTJJRORQ-UHFFFAOYSA-N 274.374 3.589 30 20 CHED CCC(CC)NN=C(C)c1cc(OC)c(OC)cc1C 734366000 AVJLWIYSCFIEHQ-UHFFFAOYSA-N 278.396 3.514 30 20 CHED COc1ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1C#N 742379366 WPEJTTZJBQHWGL-HLLBOEOZSA-N 284.403 3.625 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2scnc2C)c1 742431045 GMUAIBIKPQQOFO-SREVYHEPSA-N 257.358 3.964 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)Nc1ccc(C)cc1 743057802 NUFSFZXWOGNWFF-UHFFFAOYSA-N 298.317 3.790 30 20 CHED CCC(=NNc1nc(C)cc(C)n1)c1cc(F)ccc1F 743418245 BEFUSSRHTHFMOB-UHFFFAOYSA-N 290.317 3.598 30 20 CHED CCCCC[C@@H](C)CC(=O)OCC1(CC#N)CC1 744276529 KXLVMKBASCRDAA-CYBMUJFWSA-N 251.370 3.830 30 20 CHED C=C(C)CCOC(=O)/C=C\c1ccc(Cl)s1 744299788 LMLFSPRCKZGKBW-XQRVVYSFSA-N 256.754 3.924 30 20 CHED C#CCN(C(=O)N[C@H](C)C[C@H](C)CC)C1CCCCC1 745888490 OHMQLQWCZNBOMG-HUUCEWRRSA-N 278.440 3.789 30 20 CHED c1ccc(C[C@@H]2CCCC2=NOCc2cccnc2)cc1 746575629 ACNLDHYPYZOZPU-KRWDZBQOSA-N 280.371 3.997 30 20 CHED C(=NNc1cnnc2ccccc12)c1coc2ccccc12 746577504 VBQYGZPVGYHDHL-UHFFFAOYSA-N 288.310 3.822 30 20 CHED C#CC(C)(C)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 746602521 FTCGOHJYMHKHOO-SECBINFHSA-N 284.186 3.625 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1ccon1 747510111 AWKUKRBEMWKRRU-UHFFFAOYSA-N 281.400 3.567 30 20 CHED COc1ccc2c(c1)C(=NNc1c(F)cccc1F)CC2 747632085 GAMJDKQBVLVMTQ-UHFFFAOYSA-N 288.297 3.736 30 20 CHED C[C@@H]1CC(=NNc2nc(O)c3ccccc3n2)C[C@H](C)C1 747766248 QAHJUJBLGDKIRQ-PHIMTYICSA-N 284.363 3.559 30 20 CHED C=C(Br)CN(C(C)C)C1CCCCC1 749070661 WPAJQHGVMCCDBK-UHFFFAOYSA-N 260.219 3.938 30 20 CHED C#CCOc1cccc(Oc2ncnc3cccc(C)c23)c1 749099746 ZVKROJHXFJEMLD-UHFFFAOYSA-N 290.322 3.743 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCCC2(C)C)c1 749900991 ZBXZEFKSIASRKA-CQSZACIVSA-N 272.417 3.533 30 20 CHED N#Cc1ccc(OCCCNc2c(F)cccc2F)cc1 754846633 DVWYYWBYYNNOCX-UHFFFAOYSA-N 288.297 3.717 30 20 CHED C[C@H]1/C(=C\c2ccccc2C#N)C(=O)c2c(O)ccc(F)c21 755583225 CRBFXYRVBIOYNF-XNFYSYIQSA-N 293.297 3.786 30 20 CHED N#Cc1cccc(COC(=O)c2cc(F)cc(Cl)c2)c1 757120438 ZOPDGYPJEIVWIZ-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1cc(CNCC(C)(C)C#N)cc(C)c1OC(F)F 757905449 SSYBCSDFGJLQGP-UHFFFAOYSA-N 282.334 3.544 30 20 CHED C#CCCCC(=O)OCc1csc(-c2ccc(C)o2)n1 759174714 XYOHNMCSOJSADT-UHFFFAOYSA-N 289.356 3.558 30 20 CHED CC(=NNc1ncc(F)cn1)c1cc2cc(C)c(C)cc2o1 760253609 KHCJJXAINYYRIO-UHFFFAOYSA-N 298.321 3.815 30 20 CHED CC#CCCOC(=O)c1cc(C2CC2)nc2ccccc12 760275104 YDVOYKOUFGGESB-UHFFFAOYSA-N 279.339 3.682 30 20 CHED C#CCCN(CCc1ccc(OC)cc1)CC(C)(C)C 760841773 YTOBWPJAJBXUKC-UHFFFAOYSA-N 273.420 3.609 30 20 CHED C#CCOc1ccc([C@H](C)NC2CCCCC2)cc1 764550290 MHZTXEROQOZYSL-AWEZNQCLSA-N 257.377 3.682 30 20 CHED CCOc1ccccc1C=NNc1ncnc2ccsc12 764841818 ULOGMUPOLFQGHA-UHFFFAOYSA-N 298.371 3.536 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 767254442 JLXXUFUFPIQWCK-SMDDNHRTSA-N 297.320 3.679 30 20 CHED CCC(C)(CC)C(=O)OCc1ccc(C#N)cc1F 767613310 PUGNENYLURZPAE-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(C#N)c(C)c1 767692886 XFAZNVASSSWMLP-UHFFFAOYSA-N 294.329 3.630 30 20 CHED Cn1cc(C(=O)/C=C\c2cncs2)c2ccccc21 767730101 VJXJVEHXNSULFT-SREVYHEPSA-N 268.341 3.531 30 20 CHED CCCCC(CC)=NNc1cc(C#N)cc(Cl)n1 768381624 JXTGITZIUZNCRU-UHFFFAOYSA-N 264.760 3.975 30 20 CHED COc1cc(C(=O)OCCCCC(C)(C)C#N)ccc1C 768459710 NHVJASHQKVDWCI-UHFFFAOYSA-N 289.375 3.881 30 20 CHED C#CCN(Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCCC1 769146382 UEFAAHDDVYBNEQ-INIZCTEOSA-N 296.414 3.745 30 20 CHED N#Cc1ccc(NC(=O)[C@H](F)c2ccccc2)c(Cl)c1 769472962 QLUNOFKVHGRJJH-CQSZACIVSA-N 288.709 3.861 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc(Cl)nc1 769744441 LEENTPIQWYCOES-DUXPYHPUSA-N 279.748 3.701 30 20 CHED CCc1ncc(C=NNc2c(F)cccc2Cl)s1 769826982 LRBXZSBWBGRFCJ-UHFFFAOYSA-N 283.759 3.944 30 20 CHED CCC1(CC)[C@H](/N=C\c2ccccc2O)[C@H](C)[C@H]1OC 770569199 RTKUULUYYNTXFS-OCSGYDPSSA-N 275.392 3.651 30 20 CHED C#C[C@H](C)NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 772976233 KNOQHFQIKLKFMN-CMHHUMAZSA-N 299.370 3.566 30 20 CHED CC(C)c1nccnc1NN=CC1CCCCCC1 773093045 JAGGAONEQZBXLX-UHFFFAOYSA-N 260.385 3.968 30 20 CHED CCC(C)(C)C(=O)OCC#Cc1cccc(Cl)c1 773146259 DBVHKHGPVJWYGP-UHFFFAOYSA-N 264.752 3.671 30 20 CHED CC(=NOC1CCCC1)c1ccc(-n2cccn2)cc1 774603139 NRWYUUWWTMPHJY-UHFFFAOYSA-N 269.348 3.556 30 20 CHED Cc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)c(C)s1 776369412 OYKDSJOBUIHXGH-AWEZNQCLSA-N 277.389 3.994 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1ccc(Cl)cc1 776369486 OIQMFIDJMCVKNH-UHFFFAOYSA-N 279.767 3.756 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1ccncc1 776782327 IKXZTEBUXDMVRZ-UHFFFAOYSA-N 276.343 3.774 30 20 CHED C=CCOc1ccc(OCc2ccc3c(c2)COC3)cc1 778032570 MRVXUSPZXXBPIK-UHFFFAOYSA-N 282.339 3.861 30 20 CHED Clc1ccc([C@H]2CCCC2=NN=c2cc[nH]cc2)cc1 779808912 BYNCSLNNJOIYFT-OAHLLOKOSA-N 285.778 3.893 30 20 CHED C#CCCCCCC(=O)N(CC1CCC1)CC(F)(F)F 779980073 ZQILVYOILBWDDB-UHFFFAOYSA-N 289.341 3.761 30 20 CHED Cc1ccc(C(F)(F)C(=O)OCCC(C)(C)C#N)cc1 780189645 GNPJLQNQUOFEGF-UHFFFAOYSA-N 281.302 3.570 30 20 CHED COCC(=NNc1ccc(OC(F)F)cc1)C1CCCC1 780216708 VIVKFYGJRSBKOG-UHFFFAOYSA-N 298.333 3.893 30 20 CHED N#CCCN(Cc1cccnc1)C[C@@H]1CCc2ccccc21 780297230 JTBYBAIHLFZTCP-SFHVURJKSA-N 291.398 3.527 30 20 CHED Cc1nc2cc(Nc3ccc(C#N)cn3)ccc2s1 781396222 KBDHAZUQBICNOH-UHFFFAOYSA-N 266.329 3.615 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccncc1 781640670 CAGSIWQEAKVCLJ-GJZGRUSLSA-N 272.392 3.641 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cscc1Cl 782285183 BLKGZCARDPODHU-LLVKDONJSA-N 256.802 3.904 30 20 CHED Cc1ccc(F)c(N)c1C(=O)O[C@H](C)c1ccc(C#N)cc1 783123677 MMIUWWDGGAZAJS-LLVKDONJSA-N 298.317 3.506 30 20 CHED CS[C@@H](C)CCC(=O)OCc1ccc(C#N)cc1Cl 784241679 PPBPZWXSUVSOQF-JTQLQIEISA-N 297.807 3.787 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C2CCC2)cc1 785933718 MQIIDPHNSPDMJD-UHFFFAOYSA-N 255.361 3.942 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(-c2ccco2)s1 787092013 ASAANWUALWEXFC-JTQLQIEISA-N 275.329 3.857 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(F)c(C#N)c2)cnn1C(C)C 787187569 XEQMMTVLOIRFLO-ALCCZGGFSA-N 297.333 3.679 30 20 CHED C#CCC1(C(=O)OCC(=O)C2CCCCC2)CCCCC1 788211038 MNBNYALMBGKQMV-UHFFFAOYSA-N 290.403 3.653 30 20 CHED C#CCC1(C(=O)O[C@@H](C)c2ccncc2)CCCCC1 788212413 IBXHOZUJIKPTDR-AWEZNQCLSA-N 271.360 3.660 30 20 CHED C[C@@H](OC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 790139443 LDAOWTQQIVRNPB-LLVKDONJSA-N 269.275 3.615 30 20 CHED Cc1csc(C(=O)OCCC(C)(C)C#N)c1Cl 791595740 RRWPFXJJANSTJE-UHFFFAOYSA-N 271.769 3.807 30 20 CHED C#CCCN(Cc1ccsc1Cl)CC(F)(F)F 792174981 KWCVXZFHECPOGI-UHFFFAOYSA-N 281.730 3.789 30 20 CHED CC1(CNN=Cc2c[nH]c3ccc(C#N)cc23)CCCC1 793080992 GKIDIWOLHYJRRC-UHFFFAOYSA-N 280.375 3.543 30 20 CHED Cc1cnn(C)c1/C=C1\Oc2c(cccc2C(C)(C)C)C1=O 794708594 SPDDKUFAEATHSB-DHDCSXOGSA-N 296.370 3.642 30 20 CHED CC1(CC/N=C\c2cc3ccccc3nc2O)CC1 794831441 AUWQTJJYYIIDKY-BOPFTXTBSA-N 254.333 3.550 30 20 CHED C#CCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 796281028 HUPHHAIXMNSZQO-KSZLIROESA-N 253.389 3.668 30 20 CHED C=CCC[C@H](N[C@@H](C)C[C@H](O)c1ccco1)c1ccco1 796795173 ALTWKQQLRLBAQC-KKUMJFAQSA-N 289.375 3.982 30 20 CHED COc1ccc(/C=C/C(=O)c2ccncc2)c(Cl)c1 796975951 JKYQZAWBMARDRO-HWKANZROSA-N 273.719 3.640 30 20 CHED C[C@H](OC(=O)C1CC(C)(C)C1)c1ccc(C#N)cc1 797099024 JBGCAJNYDQEGSZ-NSHDSACASA-N 257.333 3.599 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)cc2OC)ccc1O 797278812 RCCDFQGUVCDZAL-VMPITWQZSA-N 298.338 3.614 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNC(=S)Nc1cccnc1 797400192 QWJRPRPKGQWTDO-RYUDHWBXSA-N 290.436 3.570 30 20 CHED CC(C)(C#N)CC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572480 AIGONRYZZLPLSA-JTQLQIEISA-N 289.404 3.557 30 20 CHED Cc1oc(C#N)cc1C(=O)NCC1CCCCCCC1 797836401 MWTGIXVXUFOMLA-UHFFFAOYSA-N 274.364 3.550 30 20 CHED C#C[C@H](NC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C)C(C)C 798555367 CPMLGVNOTWZINB-NUJGCVRESA-N 298.430 3.540 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)cc1C#N 799345817 PTQYYGRINAQVKD-GJZGRUSLSA-N 292.382 3.789 30 20 CHED COc1cccc(C=NNc2ccc3ccccc3n2)c1F 799865268 ORBVUSSBQXHOEZ-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C=CCN(Cc1ccc(C)cc1-c1cnn(C)c1)C(C)C 802637499 DVWBWHDHAFJPMZ-UHFFFAOYSA-N 283.419 3.792 30 20 CHED C=CCOc1ccc(CNC(=O)C=C(C2CC2)C2CC2)cc1 803373680 CHXWPZLKBARIFI-UHFFFAOYSA-N 297.398 3.614 30 20 CHED Cc1ccc(C#N)c(Nc2cccc(N3CCCCC3)c2)n1 804372578 OSHLJUHYSGBDGW-UHFFFAOYSA-N 292.386 3.996 30 20 CHED C=CCCCCCCNC(=O)CC[C@H]1CC[C@H](C)O1 805219592 QHFUTSPPFVKLDY-LSDHHAIUSA-N 267.413 3.587 30 20 CHED Cc1nc(Cl)ccc1COC(=O)CCCCCC#N 805695290 PJULHLYCVQBENA-UHFFFAOYSA-N 280.755 3.561 30 20 CHED N#CCCCCCC(=O)O[C@@H]1COc2cc(Cl)ccc21 805931256 GRQQXJOKIYMVRK-CQSZACIVSA-N 293.750 3.791 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1F)C(C)(C)C 807883254 JTGGLVZJAGFYLJ-IAQYHMDHSA-N 293.357 3.623 30 20 CHED CCC(=NN[C@H]1CCSC1)c1ccc(Cl)cc1 808003577 PRPOAWHZGWFQLJ-LBPRGKRZSA-N 268.813 3.549 30 20 CHED C[C@H]1/C(=C/c2cccc3nccn23)C(=O)c2ccccc21 809155585 AXHPMBJVZQBONQ-COOUDCDJSA-N 274.323 3.718 30 20 CHED C#Cc1ccc(CNCc2ccc(CSC)cc2)cc1 809711556 YQBBVUGQYMPQBS-UHFFFAOYSA-N 281.424 3.821 30 20 CHED COCc1ccc(N[C@@H]2CCc3ccc(C#N)cc32)cc1 810237398 HQTBEMRDCUJEFO-GOSISDBHSA-N 278.355 3.804 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)OC1(CC#N)CCC1 810858136 MRSUJROLOYSJBC-CQSZACIVSA-N 296.370 3.657 30 20 CHED COc1ccc2c(c1)CCCCN2Cc1cc(C#N)cs1 811508599 YXSJDBDKXDPCNS-UHFFFAOYSA-N 298.411 3.971 30 20 CHED OC[C@H](NN=C1CCC2(CCCC2)CC1)c1ccccc1 811649242 FZACFEKGQHDTKY-KRWDZBQOSA-N 286.419 3.800 30 20 CHED COCCCON=Cc1c[nH]c2ccc(C(C)(C)C)cc12 811650081 KFQZRJWPVOPFBZ-UHFFFAOYSA-N 288.391 3.852 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](C)c1cccc2ccccc12 811992545 JZVLVFHXKJSGBB-DZGCQCFKSA-N 280.371 3.612 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](c1ccc(CC)cc1)C(C)C 811994823 HKZBANBVYKDDHN-YOEHRIQHSA-N 286.419 3.609 30 20 CHED CCCNN=C(C)c1csc(-c2ccccc2F)n1 812224243 HOHZJURTLMYJFS-UHFFFAOYSA-N 277.368 3.673 30 20 CHED CC(C[C@H]1CCC(=O)N1)=NNc1c(C)cccc1C(C)C 812232482 ICFZVKQVGGLOBU-CQSZACIVSA-N 287.407 3.575 30 20 CHED CC(=NNc1cccc(F)c1F)c1ccccc1C#N 814858678 CHSXXAGNYVCHBO-UHFFFAOYSA-N 271.270 3.673 30 20 CHED CSCCCC=NNc1nc(C(F)(F)F)cs1 814868180 VVMPFNUKCHUYQX-UHFFFAOYSA-N 283.344 3.703 30 20 CHED N#CCN(C[C@H](O)c1cccc2ccccc12)C1CCCC1 815052449 OYYWAKIEVCWABT-IBGZPJMESA-N 294.398 3.641 30 20 CHED N#Cc1ccc(OCC[C@H]2CC2(Cl)Cl)cc1 818056182 RIFJLGCIFGHQNQ-JTQLQIEISA-N 256.132 3.521 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 824234040 BXUMBYNPRZIMIO-ZSHCYNCHSA-N 276.424 3.601 30 20 CHED CC(C)CC[C@H]1CCC(=NOC[C@H]2CCOC2)C1 834973572 PEYMFNOCTPSKTA-KBPBESRZSA-N 253.386 3.632 30 20 CHED CCCCCC1=C(C)CCC1=NNc1ccncn1 835002037 MQPYBTPTDMKMRI-UHFFFAOYSA-N 258.369 3.935 30 20 CHED CC(=NOC(C)C)c1oc2cc(C)ccc2c1CC(=O)O 835003070 VRWHFXJWBCDOSJ-UHFFFAOYSA-N 289.331 3.517 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1 835077687 VSWICFMOZHRSAQ-JHJVBQTASA-N 282.343 3.830 30 20 CHED N#CC1(CCOC(=O)c2n[nH]c3ccccc23)CCCCC1 840015094 MFWWWEXCOAKOSW-UHFFFAOYSA-N 297.358 3.584 30 20 CHED CCn1cncc1C=NN[C@@H](C)c1ccc(C(C)C)cc1 841620106 UCWWQFGDRWSPDH-AWEZNQCLSA-N 284.407 3.711 30 20 CHED FC1(F)CCC(=NNCc2cnc3ccccc3c2)CC1 842529332 WEYJAUSIOFVWAS-UHFFFAOYSA-N 289.329 3.890 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C(C)(C)C 844563714 SQWVTKJDABRTPW-BXUZGUMPSA-N 277.795 3.608 30 20 CHED C=C[C@H](C)ON=C(C)c1[nH]c(-c2ccccc2)nc1C 844626089 XLVCEJPXEDGBDY-NSHDSACASA-N 269.348 3.700 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2cc(C#N)ccc2F)C1 846935824 DZBJYSWOKUGVDZ-ZDUSSCGKSA-N 288.366 3.596 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C(C)=C(C)C)cc1 847046563 ZYTHMHSSHOKSNJ-MRXNPFEDSA-N 270.376 3.628 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H]1C[C@H](C)C(=O)C(C)(C)C1 847936279 KKPFVOHVGPAUOS-GXTWGEPZSA-N 278.392 3.692 30 20 CHED C#C[C@H](OC(=O)CC[C@@H]1CC1(Cl)Cl)c1ccccc1 851036986 PFVIZSHRBQNOAG-OLZOCXBDSA-N 297.181 3.878 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1(C)CCCCC1 851207198 UWARFIYQLCIMIV-LBPRGKRZSA-N 251.370 3.828 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1(Cc2ccccc2)CC1 851207349 BXMWSPOXGMMYJY-CQSZACIVSA-N 285.387 3.881 30 20 CHED CC(CCCCCCC(=O)O)=NNc1ccnc(Cl)c1 853394989 GYTKWCKHEXVDHE-UHFFFAOYSA-N 297.786 3.948 30 20 CHED CSc1cc(Cl)ccc1NC(=O)C#CC(C)C 855235304 DRPURDYFVAHKPR-UHFFFAOYSA-N 267.781 3.660 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)O[C@@H](C)C(C)(C)C#N 860623197 HAIDKGWXVSVTGM-KBPBESRZSA-N 273.376 3.655 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1ccc([N+](=O)[O-])cc1F 864019515 JRKYCGDEHKQKAX-NSHDSACASA-N 299.305 3.803 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 875899466 RUDSCPQVWPDQLX-CQSZACIVSA-N 278.783 3.545 30 20 CHED C#CCCCCCCN1CC2(CCOCC2)[C@@H]1C(C)C 877590989 NADJSHCDNPDDDZ-KRWDZBQOSA-N 277.452 3.707 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 880230568 GZTLVLMQRIYDAP-SHTZXODSSA-N 287.403 3.660 30 20 CHED C=CC(C)(C)CC(=O)NCC[C@@H]1CCc2ccccc2N1 884385335 JTEWXIRYZBHJFN-HNNXBMFYSA-N 286.419 3.522 30 20 CHED C#CCCCC(=O)Nc1cccc(COC(C)(C)C)c1 885619631 XBHDMQLYGDZROZ-UHFFFAOYSA-N 273.376 3.744 30 20 CHED C=C1CCC(C(=O)N2CCc3sccc3[C@@H]2C)CC1 887861580 WHCBKWABUYLAII-LBPRGKRZSA-N 275.417 3.940 30 20 CHED C=C1CCC(C(=O)N2CCC(OC3CCCC3)CC2)CC1 888616721 JAKCHEISVHVFIT-UHFFFAOYSA-N 291.435 3.683 30 20 CHED C=C1CCC(C(=O)NCCCCCCSC)CC1 889913022 GLBKQVROTVFQAB-UHFFFAOYSA-N 269.454 3.772 30 20 CHED C=C1CCC(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 891987109 NAYXSGFWZQPXGX-CQSZACIVSA-N 282.387 3.824 30 20 CHED N#C[C@H](NC(=O)c1ccc2ccccc2c1)C1CCCC1 893703685 GHYRQXVWEHZALS-KRWDZBQOSA-N 278.355 3.652 30 20 CHED CC(C)(C#N)OC(=O)/C=C/c1ccc(C(C)(C)C)cc1 898914402 UCXHOPVBNITZPH-DHZHZOJOSA-N 271.360 3.843 30 20 CHED CC(=NNc1cc(Cl)ccc1C)c1cc(C)nn1C 901316551 BKFYPEXBHYYSGB-UHFFFAOYSA-N 276.771 3.526 30 20 CHED C[C@@H](NCC(C)(C)C1CCOCC1)c1ccc(C#N)cc1 901642701 MVQWJHBCKDYAMW-CQSZACIVSA-N 286.419 3.662 30 20 CHED COc1ccc2nccc(OCCCC(C)(C)C#N)c2c1 902900763 UWGUUHBQIDBSQL-UHFFFAOYSA-N 284.359 3.952 30 20 CHED C[C@H](N[C@H](c1ccncc1)C1CC1)c1cccc(C#N)c1 903428402 OGWKFEJHODRVGO-UGSOOPFHSA-N 277.371 3.755 30 20 CHED CC(=NNc1cnccn1)c1ccc(CC(C)C)cc1 912961974 QNVZJBUHOUJZOI-UHFFFAOYSA-N 268.364 3.511 30 20 CHED CCOc1ccc(/C=N\Cc2ccc(COC)cc2)c(O)c1 914773538 MTNJEXWONXVJIE-UNOMPAQXSA-N 299.370 3.556 30 20 CHED Cc1ccc(C=NNc2nncc3ccccc23)cc1C 915937596 JQSTWHAKMNOKJZ-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C=CCN(C(=O)Nc1ccc(F)cc1Cl)C(C)C 916706153 IWMUYCQMPLTWJA-UHFFFAOYSA-N 270.735 3.907 30 20 CHED Cc1ccc(C)c(N(C)C(=O)/C=C\c2ccccc2C#N)c1 917830292 TYYSYYGYGVUHDZ-KHPPLWFESA-N 290.366 3.851 30 20 CHED CCCCCCCC(=O)NCc1ccn(-c2ccccc2)n1 918364315 SFROEHNZVIWMMA-UHFFFAOYSA-N 299.418 3.849 30 20 CHED C=C(C)CNC(=S)N[C@@H](c1ccccc1)C1CCCC1 918725587 GIBYJSXJKDCBKH-INIZCTEOSA-N 288.460 3.958 30 20 CHED C=CCCOC(=O)c1ccc(COc2ccccc2)cc1 919667948 IIHLQWSCXSNCFS-UHFFFAOYSA-N 282.339 3.999 30 20 CHED C#CCN(CC)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 920027757 SNFROFSUXGGFKU-LBPRGKRZSA-N 297.320 3.681 30 20 CHED N#Cc1sccc1C(=O)OCCC(Cl)(Cl)Cl 923563345 STLKFYYSSPHAAY-UHFFFAOYSA-N 298.578 3.537 30 20 CHED CO[C@H](CN[C@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 925158968 VYTAYIXVZKOQTH-IUODEOHRSA-N 294.826 3.945 30 20 CHED C[C@H](N[C@@H](C)c1cccc2c1OCO2)c1cccc(C#N)c1 925184479 CWXYJIYYIGBMQJ-STQMWFEESA-N 294.354 3.699 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C1CCCCC1)C1CC1 930532472 GAIBSVDEBPCSEJ-UHFFFAOYSA-N 282.387 3.804 30 20 CHED CO[C@@](C)(C1CC1)[C@@H](C)NCCCCC1(C#N)CCC1 930714627 BJDSRIZIWOXCTI-GDBMZVCRSA-N 278.440 3.644 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 933860158 KXORNWMEZPDATP-NJAFHUGGSA-N 296.414 3.887 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 933865502 VYEXKCBAHMBXKP-LSDHHAIUSA-N 297.402 3.652 30 20 CHED C=C(Cl)CNC(=O)c1c(-n2cccc2)sc(C)c1C 1116095807 QYVSGKXKZRHUDA-UHFFFAOYSA-N 294.807 3.638 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)c1ccc(-c2ccccc2)s1 1117664702 GHARINYTRYZZSZ-QGZVFWFLSA-N 296.395 3.837 30 20 CHED CNc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(Cl)c1 1135642495 IFHFAQRRHXEZOS-UHFFFAOYSA-N 299.761 3.700 30 20 CHED C[C@H]1C[C@H](C)CN(c2c(Br)cccc2C#N)C1 1184616883 BQGPCVOCPXBQLU-QWRGUYRKSA-N 293.208 3.803 30 20 CHED CC[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@@H]1C 1215839279 YNINUJJAKVOGSJ-PWSUYJOCSA-N 291.782 3.864 30 20 CHED N#CCOc1ccc(N[C@H]2CCc3ccc(Cl)nc32)cc1 1261782955 ZZECXMWVWRUVQC-AWEZNQCLSA-N 299.761 3.737 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc(-c2noc(C)n2)cc1 1263143588 JMTZQIGDWKFVMV-GFCCVEGCSA-N 286.331 3.553 30 20 CHED C[C@H]1CCC(C)(C)N1Cc1ccc(C#N)cc1Cl 1307834929 RHKNGEWIKIZYRT-NSHDSACASA-N 262.784 3.975 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)OC1CCCCC1 1319827192 XTDLXRVMEZQEHY-KBPBESRZSA-N 267.413 3.585 30 20 CHED Cc1cc(C#N)ccc1COc1cnc(F)cc1Cl 1321872863 ONIJFQGXUMSTLE-UHFFFAOYSA-N 276.698 3.633 30 20 CHED C#CC1CCN(C(=O)N[C@H](c2ccccc2C)C2CC2)CC1 1326284168 RSICWAICLMIKAY-SFHVURJKSA-N 296.414 3.501 30 20 CHED C=CCC(CC=C)c1nnc(COc2ccccc2C#N)o1 1341310633 KDIAZKLHUBFSGC-UHFFFAOYSA-N 295.342 3.756 30 20 CHED Cn1c(Cl)cnc1[C@@H](C#N)C(=O)CCCCC(C)(C)C 1344865031 XECBWIWLZUQRHO-NSHDSACASA-N 295.814 3.856 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)[C@H]1c1nccn1C 1347872953 YXZAVWKOHQNERD-OAHLLOKOSA-N 291.439 3.690 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 1349908408 ZNAXGPVRJSEOJI-SDDRHHMPSA-N 290.329 3.506 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCCC(C)(C)C1 1351820569 XXWNSYFECSCGDZ-GFCCVEGCSA-N 294.468 3.515 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 1517991939 IDVSFVDLUGQVFD-NSHDSACASA-N 283.293 3.564 30 20 CHED C[C@H](CC(=O)N1CCc2cc(C#N)ccc21)CC(C)(C)C 1528212617 ZUASGUJIPKMNLS-CYBMUJFWSA-N 284.403 3.910 30 20 CHED C[C@H](CNC(=O)c1cccc(SCC#N)c1)C(C)(C)C 1538096820 VOQIHKQGPBOWJQ-GFCCVEGCSA-N 290.432 3.714 30 20 CHED Cc1cccc([C@@H](C)NC[C@H](O)c2cccc(C#N)c2)c1C 1559705089 GVIQKEXCRHDKTF-BEFAXECRSA-N 294.398 3.559 30 20 CHED CC1(C)C/C(=C/c2ccc(C(=O)O)[nH]2)C(=O)c2ccccc21 1593842530 OHFOZJUQAFSMLA-LUAWRHEFSA-N 295.338 3.661 30 20 CHED N#Cc1ccc(/C=C\c2nc(Cl)c(C(=O)O)s2)cc1 1601098600 RPTRLTWGEHNINJ-WAYWQWQTSA-N 290.731 3.537 30 20 CHED C=C(Cl)CNCc1cc(Cl)cc(Br)c1 1620810127 DVQSABKMBXQLMV-UHFFFAOYSA-N 295.007 3.945 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H]1CCC(C)C 1644933051 OFCZXLXHMODCPU-QGZVFWFLSA-N 286.419 3.967 30 20 CHED CCC[C@H](C)[C@H]1CCCN1Cc1ccc(C#N)cc1OC 1652892735 DQGGNPMWRVBJTE-WMLDXEAASA-N 286.419 3.967 30 20 CHED C=C(Cl)CN1CCC(Cc2c(F)cccc2F)CC1 1658974078 TUSUHJAIDHFTNA-UHFFFAOYSA-N 285.765 3.972 30 20 CHED CCC[C@H](NC(=O)Nc1ccnc(C#N)c1)c1ccccc1 1673981171 WOWJTKIWNBDGIY-INIZCTEOSA-N 294.358 3.616 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2ccc(C)cc2C)C1 1776159906 RWKDHHSVJYCVDZ-SFHVURJKSA-N 287.403 3.546 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(Cc2ccc(Cl)cc2C)C1 1776161440 FUTFWZWQHVBIGO-MRXNPFEDSA-N 293.794 3.501 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(C#N)c1 55779790 GAAVKPKTPKCUGU-GOSISDBHSA-N 290.366 3.844 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@@H](SCC)C1 175900072 SDRKFENGOHXMBY-UONOGXRCSA-N 284.469 3.658 30 20 CHED CC(C)Cc1ccc(CCC(=O)NCCCCC#N)cc1 178527540 QSDNXCKILFHJRH-UHFFFAOYSA-N 286.419 3.628 30 20 CHED C=CCCCSCC(=O)c1[nH]c(C)c(C(C)=O)c1CC 117944664 PNHRWAOXCOPISQ-UHFFFAOYSA-N 293.432 3.970 30 20 CHED C=CCCCC(=O)NC[C@@H](C)Sc1ccccc1 176008391 KBFGTYKTIWYYEA-CYBMUJFWSA-N 263.406 3.640 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CC12CC3CC(CC(C3)C1)C2 108912673 FCPLTPXFDBLEGL-IILDEKEXSA-N 288.435 3.601 30 20 CHED N#C[C@@H](C(=O)CCC1CCC1)c1nc2ccccc2o1 175123110 ORHXODGXPFCCTN-LBPRGKRZSA-N 268.316 3.584 30 20 CHED CCCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 464838893 ZPXNFRHOEWQHII-IAGOWNOFSA-N 256.393 3.948 30 20 CHED C#CCCCOC(=O)C[C@H](c1ccccc1)C(F)(F)F 103333415 QISPBRYGVXWJSP-CYBMUJFWSA-N 284.277 3.679 30 20 CHED C=CCOc1cccc(NC(=O)CC[C@H]2CC[C@@H](C)O2)c1 175668586 ZDXAXRBJJZWEKF-UKRRQHHQSA-N 289.375 3.538 30 20 CHED Cc1cccc(C[C@@H](NCCCCC#N)C2CC2)c1 178649275 BRKUBRMMNYDJQY-QGZVFWFLSA-N 256.393 3.600 30 20 CHED Cc1oc(-c2ccccc2)nc1C(=O)OCCCCC#N 26481997 MTGVLESIHLWMFD-UHFFFAOYSA-N 284.315 3.501 30 20 CHED C=CCCCC(=O)N(C)c1ccc(C)c(Cl)c1 177854360 RRJMMOGLOGOMHA-UHFFFAOYSA-N 251.757 3.968 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3[C@H](C2)C3(C)C)cc1 174907759 FICJICHNCVPVCL-GJZGRUSLSA-N 297.402 3.607 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2ccc(Cl)c(C#N)n2)o1 67368732 HUHXYHQBIGFQHI-ONGXEEELSA-N 287.750 3.935 30 20 CHED Cc1cccc([C@@H](Nc2ccc(C#N)nn2)C(C)(C)C)c1 301977346 WQHDOGWAPXXVGW-MRXNPFEDSA-N 280.375 3.856 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/CCc2ccccn2)cc1 303700014 HGPGEMJBURVORP-CQSZACIVSA-N 296.418 3.564 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1OC 27353989 YGXNXSRDMFZDDU-UHFFFAOYSA-N 296.370 3.915 30 20 CHED C[C@H](Sc1cccc(C#N)n1)c1ccccc1F 301878965 ZGMDLVGSFNJPPC-JTQLQIEISA-N 258.321 3.946 30 20 CHED C#CCOc1ccc([C@H](C)NCc2cccc(C)c2)cc1 120416442 SBCDQYYWMVMSPL-INIZCTEOSA-N 279.383 3.858 30 20 CHED COc1cccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)c1 175315969 FFXXJMHXPNYJOR-AATRIKPKSA-N 290.265 3.575 30 20 CHED C=C(C)CN(C)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 180421989 LCHHQTCSCUKEIL-UHFFFAOYSA-N 297.320 3.772 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 185804408 FEQRKLNSACMCKX-RDJZCZTQSA-N 269.388 3.585 30 20 CHED CCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1F 185728250 QTMIMJIIXRTMGR-NWDGAFQWSA-N 262.328 3.719 30 20 CHED COc1cccc(CCCOc2ccc(C#N)cc2)c1 303803126 BFDUXGFHUCYKLX-UHFFFAOYSA-N 267.328 3.578 30 20 CHED C=CC[C@@H](C(=O)Nc1ccccc1)c1ccccc1 189369009 RAJBQEVEVDWBQG-MRXNPFEDSA-N 251.329 3.985 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccccc1F 182568585 GNBNOYJMYFEPLC-LBPRGKRZSA-N 270.307 3.729 30 20 CHED Clc1cccc(C#CCSC[C@H]2CCCO2)c1 184037822 NMEZFIGYBBWZEE-CQSZACIVSA-N 266.793 3.604 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(C)C1(C#N)CCC1 413246333 OXSNFISKFPMBCW-OAHLLOKOSA-N 276.424 3.888 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cncc(Cl)c1Cl 188058411 PZFXLBFFVDHQJB-GFCCVEGCSA-N 273.163 3.929 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2cccnc2)cc1 62166994 MBDSRRSXEMZJLI-JXMROGBWSA-N 267.328 3.765 30 20 CHED CC(C)(C#N)CCCN1C[C@@H]2CCC(=O)c3cccc1c32 184783081 PLWWLJAHFVQOOD-ZDUSSCGKSA-N 282.387 3.897 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(C)s1 188212184 RDCJGWSBMKPABU-CQSZACIVSA-N 251.395 3.617 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 128324033 AZLHZMQDTVEWEC-VXGBXAGGSA-N 293.769 3.783 30 20 CHED CC(C)(C#N)OC(=O)CCCc1ncc(-c2ccccc2)o1 181813422 CBNYMSNMMZVZOT-UHFFFAOYSA-N 298.342 3.510 30 20 CHED CCn1c(NCc2ccc(C#N)s2)nc2ccccc21 185742006 HUOJDRRHFAJSNB-UHFFFAOYSA-N 282.372 3.601 30 20 CHED C=C(Cl)CN1CCC[C@@H](c2nc3ccccc3o2)C1 366469548 QSVZKTJEDUEIBO-GFCCVEGCSA-N 276.767 3.760 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccc(C2CC2)cc1 419326799 CMICLOXNKNMABM-CYBMUJFWSA-N 254.377 3.908 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1Cl 124574311 UBRZDHDXJFXYMF-MNOVXSKESA-N 299.773 3.638 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccco2)n1CC(C)C 127007906 ITSWLWZEZQPQIV-NSHDSACASA-N 290.392 3.588 30 20 CHED C=CCc1cc(CNc2ncc(C)s2)cc(OC)c1O 185857320 FZRAFIGKZZQKEJ-UHFFFAOYSA-N 290.388 3.506 30 20 CHED C[C@@H]1CCCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 185807601 KZSYUYSZCRTMLR-LLVKDONJSA-N 291.782 3.866 30 20 CHED CC(C)(C)[C@H](NCCCC#N)c1ccc(F)cc1F 181629930 KGXOMPKJZODMKY-CQSZACIVSA-N 266.335 3.945 30 20 CHED C=C[C@@H]1CCCCN1Cc1csc([C@H](C)OCC)n1 489442072 ACEQQEUQFAADFC-GXTWGEPZSA-N 280.437 3.781 30 20 CHED C=CCC[C@H](O)CN[C@]1(c2cccc(C)c2)C[C@H]1CC 502592606 GNQUVODDTRHSCV-BPQIPLTHSA-N 273.420 3.537 30 20 CHED N#Cc1cccc(NCc2ccc(C3CCC3)cc2)n1 491874951 USRFJGNRKVCWFE-UHFFFAOYSA-N 263.344 3.833 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 180677797 GONOOYNWKGEWAK-AWEZNQCLSA-N 290.407 3.819 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)C[C@H](C)c1nccs1 183156654 YQQGPIHFQLWYHE-QWHCGFSZSA-N 295.452 3.633 30 20 CHED N#C[C@H](C(=O)CCc1cc(Cl)cs1)c1ccccn1 77865800 XMFLCBCJYDHCRW-LBPRGKRZSA-N 290.775 3.606 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 180975930 DFLJZMJODBVWRE-NSHDSACASA-N 273.298 3.854 30 20 CHED CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 414190848 SXQSGGRVWZDXMB-SGIREYDYSA-N 260.356 3.783 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 187209378 WNYKHWBARFFLJY-LBPRGKRZSA-N 298.390 3.538 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)CCc1ccccc1F 410826223 HTRCWZVIXUZZFT-HIFRSBDPSA-N 290.382 3.545 30 20 CHED Cc1cc(C)cc(Cc2noc(-c3ccc(C#N)cc3)n2)c1 320062863 KZACDQKELVOOOV-UHFFFAOYSA-N 289.338 3.816 30 20 CHED C[C@@H](/N=C(/O)C1CCSCC1)c1nc(C(C)(C)C)no1 329772281 KMJROVHAPMAFOI-SECBINFHSA-N 297.424 3.528 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416063329 OBTQLSHCGPJXJV-KBPBESRZSA-N 287.403 3.722 30 20 CHED C#CCCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc12 228557874 YYZYOWSTYFAHCE-UHFFFAOYSA-N 283.331 3.667 30 20 CHED CC[C@@H](C(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 41516936 WVQLBCFCEUNREK-KGLIPLIRSA-N 284.384 3.822 30 20 CHED C[C@H](/C(O)=N/[C@@H]1CCC(O)=NC12CCC2)c1cccs1 328746447 OSJGVLLPTDOCDA-CMPLNLGQSA-N 292.404 3.850 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(Cl)c1C 136165939 KRLXPEFFJDXPMU-ZDUSSCGKSA-N 250.729 3.527 30 20 CHED C=C(C)CN(CC)C(=O)CSc1ccccc1Cl 41104046 XZFRUURLSAHPBM-UHFFFAOYSA-N 283.824 3.857 30 20 CHED Cc1cc(C(O)=Nc2c(C)noc2C2CC2)c2n[nH]cc2c1 329885277 UIZZYHHPEPWVJF-UHFFFAOYSA-N 296.330 3.681 30 20 CHED C=CCSCCNc1nc(C(C)(C)C)ccc1C#N 613416666 CAJNTCULVXLWLX-UHFFFAOYSA-N 275.421 3.582 30 20 CHED C=CC[C@H](C(=O)Nc1cccc(OC)c1O)c1ccccc1 428023671 QNXYNSGQIUSISW-AWEZNQCLSA-N 297.354 3.699 30 20 CHED CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CCCCC1 47052511 WKMVNVAKVPCQPL-AWEZNQCLSA-N 299.418 3.983 30 20 CHED N#C[C@H](NC(=O)C=C1CCC1)c1ccc(Cl)c(Cl)c1 87338211 QFLUPSWVRPVXTK-ZDUSSCGKSA-N 295.169 3.785 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCC2(CCCCC2)O1 424803475 MMIZAXVKVWAAOP-CQSZACIVSA-N 279.424 3.587 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C 514446983 TWZBVXCOPYYDAZ-DOTOQJQBSA-N 286.419 3.963 30 20 CHED Cc1nc(N=C(O)[C@H]2CC[C@@H](C)C2)nc2c1CCCC2 329606538 IBMOQKHKXMOAAZ-PWSUYJOCSA-N 273.380 3.688 30 20 CHED CC(C)(C#N)CCCN[C@@H](c1ccccc1)C(C)(C)CO 429705613 YSCUQDQEYDBJDS-INIZCTEOSA-N 288.435 3.666 30 20 CHED COc1cccc(Cl)c1CN[C@H]1CCC[C@H](C#N)C1 193351478 RKHDCPBVMKOHPC-RYUDHWBXSA-N 278.783 3.521 30 20 CHED C=C(C)C(C)(C)C(=O)N(CC)Cc1cccc(F)c1 424568821 UGECWOAEVAUAAJ-UHFFFAOYSA-N 263.356 3.777 30 20 CHED CCN(CC)CCCNc1ccc(C#N)cc1C(F)(F)F 428115701 NQKFJSFRLWTMRE-UHFFFAOYSA-N 299.340 3.721 30 20 CHED CN(C(=O)/C=C/c1ccccc1C#N)c1c(F)cccc1F 194226315 PYHYMNVVNVRYJP-MDZDMXLPSA-N 298.292 3.513 30 20 CHED C[C@H](C#N)CN(C)Cc1cccc(OCc2ccccc2)c1 513962947 IFNPXRAJTJSQAE-MRXNPFEDSA-N 294.398 3.857 30 20 CHED N#Cc1cccc(N[C@@H]2CCSc3c(F)cccc32)n1 339218664 ZZACXPIXPNFLJU-CYBMUJFWSA-N 285.347 3.741 30 20 CHED COc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C(C)C)c(F)c1 424330011 PZHAEWMPSIOGSL-AHIWAGSCSA-N 290.382 3.813 30 20 CHED CCN(C(=O)c1ccccc1OCC#N)c1ccccc1C 194150449 VPTSTCABXOEHID-UHFFFAOYSA-N 294.354 3.564 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccccc1OC(C)(C)C 86296381 YDEAGRLPPOMYDK-GFCCVEGCSA-N 289.379 3.630 30 20 CHED Cc1c(CNC(=O)[C@@H](C)C#N)sc2ccc(Cl)cc12 336167502 ILWUUTXBXHMYHY-QMMMGPOBSA-N 292.791 3.639 30 20 CHED C=C(C)[C@H](CC(=O)N1CCc2ccc(Cl)cc21)OCC 339379862 TZDNCFOFFFULIT-HNNXBMFYSA-N 293.794 3.600 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1ccc(F)c(F)c1F 330480633 OCOXADMEMRTUOD-CQSZACIVSA-N 284.281 3.737 30 20 CHED CC1=C(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CCC(C)(C)C1 334576194 MJUXQLASCUYWNT-KBPBESRZSA-N 274.408 3.712 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(O)cc1)CO2 141661838 VLDUWFQRWNXALW-NTEUORMPSA-N 280.323 3.668 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@H]1C 424600293 NZBDXXBYXFIBEJ-TZMCWYRMSA-N 286.375 3.722 30 20 CHED Cc1cc(C)c(C#N)c(NCCC2C[C@H](C)O[C@@H](C)C2)n1 338485192 QYFWLRYCYOGRNN-KBPBESRZSA-N 287.407 3.576 30 20 CHED C[C@H](CC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 330424223 UKZNTPHPRGEDSS-CQSZACIVSA-N 284.403 3.781 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 333411683 KGZOAVBPFUZIND-CPUCHLNUSA-N 274.408 3.545 30 20 CHED C[C@H]1C[C@@H](C)CCN(Cc2cccc(F)c2C#N)C1 428294437 GHOUICGSUXVPPA-STQMWFEESA-N 260.356 3.565 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)c1ccccc1F 334268171 PNQXJKFSSQYAQF-UHFFFAOYSA-N 286.281 3.503 30 20 CHED CCCN(CC#N)Cc1cccc(Cl)c1Cl 92398495 APBMLJQPSVYFKY-UHFFFAOYSA-N 257.164 3.729 30 20 CHED CC(C)(C#N)C(=O)Nc1cc(C(F)F)ccc1Cl 335721506 PHCJJSCMFXCLGW-UHFFFAOYSA-N 272.682 3.766 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2)cc(Cl)c1O 96766178 XJXLWNVWMIVZOT-FPLPWBNLSA-N 288.730 3.950 30 20 CHED C[C@@H](/N=C(/O)c1cccnc1)c1nc(C(C)(C)C)cs1 330664163 YABRSBITIJYMSM-SNVBAGLBSA-N 289.404 3.901 30 20 CHED CC(C)CCCNCc1ccc(O[C@H](C)C#N)cc1 236697999 OCMVAUFJOAWFHU-CQSZACIVSA-N 260.381 3.503 30 20 CHED CSCc1ccc(NC(=O)c2cccc(C#N)c2C)cc1 337804868 KCEFMDVBYHXHTH-UHFFFAOYSA-N 296.395 3.982 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cnn(CCC(C)C)c1C 439461492 LETJSATZKSIUQQ-CQSZACIVSA-N 292.427 3.714 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccncc1F 338347160 WOTISMZSZUAOBF-SNVBAGLBSA-N 289.741 3.597 30 20 CHED CCCN(CC)Cc1cccc(OCCCC#N)c1 434981240 IQKVEJJKMZOXBG-UHFFFAOYSA-N 260.381 3.601 30 20 CHED CC(C)C[C@H]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 433384997 XFMDICWTEKFBLP-QZTJIDSGSA-N 298.430 3.654 30 20 CHED C=CCCc1csc(-c2ccccc2[N+](=O)[O-])n1 90065612 JNVGEABUNXKQMJ-UHFFFAOYSA-N 260.318 3.837 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 529119996 CAJHCJSYYWCQFK-DLBZAZTESA-N 298.430 3.844 30 20 CHED CC[C@H](CNc1nc(C)ccc1C#N)Oc1cccc(F)c1 346815477 KEMOVAPYZUUHQV-OAHLLOKOSA-N 299.349 3.670 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@H](C)c2ccncc2)cc1 248699131 ZHLJWWOKKBTCDM-LSDHHAIUSA-N 295.386 3.565 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 249177574 GDNOJSKCNGVXHF-XDQVBPFNSA-N 293.373 3.660 30 20 CHED CCC(C#N)(CC)C(=O)N1CC2(CCCC2)[C@H]1C(C)C 529470663 KLRWMNSWMSQTIQ-CQSZACIVSA-N 276.424 3.744 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(C#N)c(Cl)c1 435597381 JCXJEMWQYYZMGL-DOMZBBRYSA-N 276.767 3.605 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cccc(C#N)c1)C2 248342382 XZMSEBAXNGPIBO-DAYGRLMNSA-N 282.387 3.503 30 20 CHED N#Cc1ccc(CN2CCCC3(CCCC3)C2)s1 438358623 VTUNDKDEILIPJU-UHFFFAOYSA-N 260.406 3.776 30 20 CHED CCN(CC#N)C(=O)c1coc2ccc(C(C)C)cc12 341101378 OYFOJYOMPQHIQM-UHFFFAOYSA-N 270.332 3.542 30 20 CHED C=CC[C@H](C)NC(=O)CCSc1ccc(Cl)cc1 522642964 UYHWTQASBZVTBE-NSHDSACASA-N 283.824 3.903 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1cc(C#N)oc1C 437180744 DWNZIAUDYGUQJN-UHFFFAOYSA-N 279.299 3.502 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 345277331 WYIDYGQNWFIYNJ-VHSXEESVSA-N 296.292 3.952 30 20 CHED CC(C)Nc1cccc(-c2cn([C@H]3CC[C@H](C#N)C3)nn2)c1 600973397 OHADRSKRXCHBHU-BBRMVZONSA-N 295.390 3.630 30 20 CHED CC(C)(CCC#N)CNc1ncccc1C(F)(F)F 340933112 KZVJQTDBBTYMTE-UHFFFAOYSA-N 271.286 3.842 30 20 CHED COc1ccc(O)c(/C=N\CCOC2CCCCCC2)c1 255713432 VGMGHJZMHZPILX-AQTBWJFISA-N 291.391 3.559 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc(OC)c2)CCCC1(C)C 347468915 NNFLJRQWWBBPMF-INIZCTEOSA-N 287.403 3.902 30 20 CHED COC(C)(C)C/N=C\c1cc(Cl)cc(Cl)c1O 255339331 QWFUZWAWUYORBN-UUASQNMZSA-N 276.163 3.543 30 20 CHED CC(C)OC(=O)c1cccc(COc2cccc(C#N)c2)c1 523762624 AKRZCDYIRLHZIJ-UHFFFAOYSA-N 295.338 3.702 30 20 CHED C=CCCN(CC)Cc1cc(Br)ccc1F 606897321 NIVRHBIEYJGRLT-UHFFFAOYSA-N 286.188 3.986 30 20 CHED C/C(=C\c1ccccc1)CN(C)CC1(CC#N)CC1 602820365 JZGUDAWYHPSESZ-NTCAYCPXSA-N 254.377 3.716 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1ccc(Cl)nc1 255717322 CFIQSYQRIFREPB-WAYWQWQTSA-N 279.673 3.909 30 20 CHED O=C(/C=C\c1ccccc1F)c1ccc(Cl)nc1 255903848 ROXRIHGSCHEGKG-ALCCZGGFSA-N 261.683 3.770 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1cc2ccccc2s1 255081647 XPSKFHCAEOOBRF-FPLPWBNLSA-N 282.368 3.839 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(C)c(F)c2)no1 528074576 MLTXNTGEEMQMBL-UHFFFAOYSA-N 273.311 3.766 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 527483418 QAVVNTDSZVIWKJ-DETPVDSQSA-N 261.365 3.622 30 20 CHED CCC[C@H](C(=O)N(CC)[C@H](C)C#N)c1cccc(Cl)c1 600109929 SIWLNAYQZVZKOG-DOMZBBRYSA-N 292.810 3.984 30 20 CHED N#Cc1ccc(N2CCC(OCC3CCCCC3)CC2)nc1 525705002 QHDGEFQZHUHOAQ-UHFFFAOYSA-N 299.418 3.519 30 20 CHED C=CCCCCCN(C)C(=O)CCc1ccc(F)cc1 606815969 ITYAQTVTDDGKCC-UHFFFAOYSA-N 277.383 3.963 30 20 CHED COc1cc(Oc2cc(C)ccc2[N+](=O)[O-])ccc1C#N 443943133 DBJMHOVCQRXLOB-UHFFFAOYSA-N 284.271 3.576 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@@H](c2ccccc2)C(F)(F)F)C1 442842987 RCBBBARUYUHTPL-XBFCOCLRSA-N 282.309 3.614 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC1CC(c2cccc(Cl)c2)C1 449547616 JBRNUVZSYSYLFN-BNICSPFPSA-N 291.822 3.909 30 20 CHED Cc1ccn(-c2ccc(NC[C@@H](C)CCC#N)cc2)n1 602652137 KHOSUQOHJKPBBQ-ZDUSSCGKSA-N 268.364 3.533 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@@H](C(C)C)C1)C1CC1 539010641 ISJGFXWIBOKASE-KGLIPLIRSA-N 264.413 3.561 30 20 CHED C=CCCCCCSc1nc2ccccc2c(=O)n1C 447294695 HLJGSDYXOMOKTG-UHFFFAOYSA-N 288.416 3.772 30 20 CHED C=CCC[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 358325416 DBBHDZMYTCPXDC-ZYSHUDEJSA-N 284.447 3.766 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@H]1C[C@@H]1C1CCCCC1 602589380 REURKWGMHWHDNI-OIISXLGYSA-N 290.451 3.644 30 20 CHED C=CCCCSc1nnc(-c2ccccc2F)o1 605075999 CJZMANBLTWCUCJ-UHFFFAOYSA-N 264.325 3.934 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1CN(CC#N)C1CCCC1 353819923 QHSCPPHMGYJDQR-UHFFFAOYSA-N 288.439 3.523 30 20 CHED CC[C@H]1CCCN(c2ccc(Cl)c(C#N)n2)CC1 609765383 TUAZGLSWVAHMRL-NSHDSACASA-N 263.772 3.623 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C#N 609566165 WWHBIHJHBLIOIA-HNNXBMFYSA-N 278.355 3.766 30 20 CHED Cc1ccc([C@@H](C)CN(CCC#N)CC2CC2)cc1 600118532 XWPZVTTZUCTNMH-HNNXBMFYSA-N 256.393 3.724 30 20 CHED C=CCCC1(C(=O)N[C@H](CC)CC(F)(F)F)CC1 356766895 LNBVZWZCGMBFJO-SNVBAGLBSA-N 263.303 3.580 30 20 CHED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(F)(F)F 352605330 LKBZPZSMLGFTKO-IINYFYTJSA-N 282.309 3.866 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@H]1CC[C@H](C)C1 354098787 ZZHXFHHOWQLJTE-STQMWFEESA-N 285.391 3.755 30 20 CHED Cc1ccc(O[C@H](C)CNC2CCC(C)(C#N)CC2)cc1 449175279 OEGSKMPAZHETHO-KLHKWILBSA-N 286.419 3.824 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCOC2(CCC2)C1 449189127 OYIZDWCOCHZHHX-GJZGRUSLSA-N 251.414 3.813 30 20 CHED CN1CCCN(Cc2ccccc2C#N)c2cc(F)ccc21 533530010 BLHRRQGUIDBZMQ-UHFFFAOYSA-N 295.361 3.544 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@H](CC(C)(C)C)c1ccccc1 352775618 LSNCZSRSKQVEPE-CRAIPNDOSA-N 289.419 3.607 30 20 CHED CC[C@H](C)CN1CCC(Oc2ccc(C#N)cc2F)CC1 353019692 GNVOCEVMMITZQP-ZDUSSCGKSA-N 290.382 3.587 30 20 CHED C[C@@H](c1nc2ccccc2n1C(F)F)N(C)C[C@@H](C)C#N 264194182 GMESJZQCWOXXTN-QWRGUYRKSA-N 292.333 3.584 30 20 CHED Cc1cccc(C2(C(=O)N[C@@H](C#N)CC(C)C)CCCC2)c1 611250394 CPSLSUATSJNNDI-QGZVFWFLSA-N 298.430 3.861 30 20 CHED C[C@H](NC(=O)Nc1ccccc1F)c1cccc(C#N)c1 610317145 SQIUNXVJOSYNDL-NSHDSACASA-N 283.306 3.580 30 20 CHED C[C@H](CC#N)N(C)Cc1cnc(-c2ccccc2F)s1 449022359 IKBBKHTYARMGRK-LLVKDONJSA-N 289.379 3.683 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCCCC(C)C 537413829 XZUIBNBUMGDCJT-CQSZACIVSA-N 269.454 3.745 30 20 CHED N#CC1(c2nc([C@H]3CCc4ccccc4C3)no2)CCCC1 612951691 KYJLNBFYKYJCSW-HNNXBMFYSA-N 293.370 3.677 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(C#N)cc1 610023545 JZBFRNHUOGZXFK-YOEHRIQHSA-N 299.418 3.668 30 20 CHED CCC[C@@H](NCc1ccnc(C#N)c1)C1CCCCC1 611433859 MDKCCJLHLNMMKE-QGZVFWFLSA-N 271.408 3.792 30 20 CHED CC(C)Sc1ccccc1NC(=O)N(C)C[C@H](C)C#N 268519998 YDFAAQHPCVTWIS-GFCCVEGCSA-N 291.420 3.810 30 20 CHED C=CCCc1noc([C@H](C)Cc2ccccc2F)n1 453251322 ZHHYVNSHNKFYQA-LLVKDONJSA-N 260.312 3.674 30 20 CHED C=C(C)CCNC(=O)Nc1c(CC)cccc1CC 454213550 LUOVPANCJIDMSZ-UHFFFAOYSA-N 260.381 3.899 30 20 CHED C=CCCOCCNC(=O)N(CCC(C)C)C1CCCC1 536066484 FUIWCDCZVLZEDH-UHFFFAOYSA-N 296.455 3.579 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 361859907 IHDQDHBVKOHJJE-GUYCJALGSA-N 287.407 3.735 30 20 CHED Cc1ccc([C@H](NCc2ccc(C#N)o2)C2CC2)cc1 266209800 NTASZQVSAGSUJD-KRWDZBQOSA-N 266.344 3.701 30 20 CHED C=C(CC)CNC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 459093780 OKFKNORLLGKJHU-QZTJIDSGSA-N 296.414 3.983 30 20 CHED Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCCCC#N 361772570 YRYANISBQBFFTJ-DOTOQJQBSA-N 272.392 3.578 30 20 CHED C[C@@H](CC1CCC1)NC1(c2cccc(C#N)c2)CC1 611476011 XMIKKZPDXJBUJH-ZDUSSCGKSA-N 254.377 3.716 30 20 CHED CC[C@H](NCc1cccc(OC)c1)c1ccc(C#N)cc1 278251381 MMGCZLDEXBLLGU-SFHVURJKSA-N 280.371 3.808 30 20 CHED C=CC(C)(C)CNC(=O)c1cnn(CC)c1-c1ccccc1 452771977 CFUVEQWXAKJJRT-UHFFFAOYSA-N 297.402 3.512 30 20 CHED Cc1ncc(-c2ccccc2)cc1NC(=O)CCCC#N 360394899 JKWWMRQRQVUDEM-UHFFFAOYSA-N 279.343 3.689 30 20 CHED C=CCSc1ccccc1C(=O)Nc1c(C)noc1C 362762411 IRZNWNBIKGTERD-UHFFFAOYSA-N 288.372 3.822 30 20 CHED N#Cc1ccc(OCC#Cc2cccc(Cl)c2)c(F)c1 610946745 USQTYRKAHSAIQJ-UHFFFAOYSA-N 285.705 3.781 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2N(C)CC2(C#N)CC2)cc1 540552146 BYFGQNJDZUSRLF-IAGOWNOFSA-N 268.404 3.867 30 20 CHED C=CCC[C@H](NCCc1ccc(F)c(F)c1F)C1CC1 542496856 JTTIUNWVSAKCBH-AWEZNQCLSA-N 283.337 3.981 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 456760570 XEWJQWMQOFIGPP-ZFWWWQNUSA-N 256.349 3.517 30 20 CHED C=CC[C@H](CC)Nc1ccc(-c2nc(O)cc(CC)n2)cn1 368185768 WEELAJODPDKGDU-ZDUSSCGKSA-N 298.390 3.573 30 20 CHED C#CCC(C)(C)C(=O)N(C)c1cccc(OC(F)(F)F)c1 274275805 CJGLFRHWPLZEQX-UHFFFAOYSA-N 299.292 3.598 30 20 CHED CC#CCCNC(=O)c1cc(-c2ccccn2)ccc1Cl 543605973 YTEDAHJUJVXIHR-UHFFFAOYSA-N 298.773 3.545 30 20 CHED CC(C)[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@@H]1C(C)C 456304972 WUUZAUFQIAFWIJ-IEBWSBKVSA-N 298.430 3.630 30 20 CHED CC1(C)C[C@@H](NCCCCC#N)c2cc([N+](=O)[O-])ccc21 279038122 JCDOCKYGOSACCU-OAHLLOKOSA-N 287.363 3.601 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@H](C)CC1CCCC1 545297492 QKPYVCIRDCBHNZ-GFCCVEGCSA-N 286.375 3.722 30 20 CHED C=C(C)CN1CCC(NCc2cc(C)cc(Cl)c2)CC1 549755329 UAFWDDGZJRBMSK-UHFFFAOYSA-N 292.854 3.779 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NC1(C#N)CCCCC1 541582069 GEWGQISWGBUXOF-CYBMUJFWSA-N 264.413 3.791 30 20 CHED C=CCCN(C)C(=O)NCCc1ccc2ccccc2c1 466975222 OISCBBDAKYKQID-UHFFFAOYSA-N 282.387 3.600 30 20 CHED COC(=O)[C@@H](CC(C)(C)C)Sc1ccc(C#N)cc1F 543861845 DWHQGBNDRVKPNB-CYBMUJFWSA-N 295.379 3.767 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCC1 279789216 CQFPXULFONSENW-UHFFFAOYSA-N 270.376 3.502 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 465100447 BHWIMLHMKQHRKK-LLVKDONJSA-N 270.376 3.770 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2cccc(F)c2)CCCCC1 465149178 SXVFXQCSMZWBAO-CYBMUJFWSA-N 275.367 3.718 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1Nc1cccc(OC)c1 465152266 RWXNMCRLQMWJJC-CYBMUJFWSA-N 296.370 3.743 30 20 CHED C=Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1 464631628 BOKFRQZFVGQREM-UHFFFAOYSA-N 266.275 3.593 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cccc(C(C)C)c1 623928174 GNKYSCWJOWUAQM-CABCVRRESA-N 261.409 3.645 30 20 CHED C=CCC[C@@H](NC[C@H]1CCCn2cc(C)nc21)c1ccco1 375840805 QGFZXYBMEPJCDL-HZPDHXFCSA-N 299.418 3.959 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 467090201 JNIMYHHUCSRQSD-BBRMVZONSA-N 272.392 3.528 30 20 CHED CSC1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 377617079 RLNMPHHZQQUTQS-CVEARBPZSA-N 286.444 3.654 30 20 CHED C[C@]1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCc2ccccc21 463236527 LGGKTOYMHNARMR-SZVBFZGTSA-N 282.431 3.953 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 467414264 SGGMLVXXRPYYJV-RYQLBKOJSA-N 272.436 3.766 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccnn2C(C)C)o1 280076395 QOXGZMKIMJGMDA-FNORWQNLSA-N 258.321 3.516 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC1(C)C 287309772 KYKFVJDKUNVIGO-INIZCTEOSA-N 299.418 3.668 30 20 CHED C[C@H](CN(C)CCOc1ccccc1C#N)c1ccccc1 551011782 AFGGLXAHQHNFOT-MRXNPFEDSA-N 294.398 3.673 30 20 CHED Cc1cc2cc(CN[C@H]3CCC[C@H](C#N)C3)ccc2[nH]1 285544544 DMFCSCKJAVVYAW-BBRMVZONSA-N 267.376 3.648 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(F)cc1OC(F)F 466533869 KQCTWMUVKNGUPV-SNVBAGLBSA-N 287.281 3.512 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C1CC1)C1CC1 637222795 DPJNGZPEJSNJSP-HNNXBMFYSA-N 284.403 3.510 30 20 CHED C=CCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 285498230 MWYDECLGCHLVRY-UHFFFAOYSA-N 288.366 3.507 30 20 CHED Cc1cccc(OCCN[C@H]2CCc3ccc(C#N)cc32)c1 554991851 YBYMJHUNSKVNQP-IBGZPJMESA-N 292.382 3.523 30 20 CHED C#C[C@H](NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C)C(C)(C)C 808316257 RPKJOHQNMUVXMD-OIISXLGYSA-N 298.430 3.622 30 20 CHED COc1ccc(/C=C/C(=O)c2ccsc2)c(C)c1OC 806571863 PDDASUQWOFYCQL-GQCTYLIASA-N 288.368 3.970 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(F)(F)[C@H](C)C1 290011550 ZSOQANIEBABSAL-NEPJUHHUSA-N 264.319 3.596 30 20 CHED N#Cc1ncccc1N1CC[C@@H](CSc2ccccc2)C1 290541742 FFTOMFZXCHHSBV-CQSZACIVSA-N 295.411 3.572 30 20 CHED C=CCCC1(C(=O)N2C[C@H](C)c3ccccc32)CC1 474896776 FOYOZMKJBJOUAE-ZDUSSCGKSA-N 255.361 3.883 30 20 CHED CC(C)C1CCC(N(C)c2cc(C#N)ccn2)CC1 561340279 MRUWXQBEQDGVHN-UHFFFAOYSA-N 257.381 3.604 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cncc(Cl)c1C 295525215 XNLNJTRSUGLTEL-CYBMUJFWSA-N 252.745 3.584 30 20 CHED Cc1cc(N2CCC(c3cccc(F)c3)CC2)cc(C#N)n1 804534138 MZTLMLZEYHNCOI-UHFFFAOYSA-N 295.361 3.785 30 20 CHED N#CCSCCCOC(=O)Cc1cccc2ccccc12 805337902 WPIRREGBRSHPGI-UHFFFAOYSA-N 299.395 3.572 30 20 CHED CC[C@H](N[C@H]1CCC[C@@H](F)C1)c1ccc(C#N)cc1 567047981 DOXLEHLZBIJHLA-PMPSAXMXSA-N 260.356 3.880 30 20 CHED C=C(C)CCN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 560540567 YRXOKPPGMIOPAY-JKSUJKDBSA-N 281.346 3.821 30 20 CHED CC#CCN(C)C(=O)c1ccccc1Oc1ccccc1 568909047 NHRWDSGURZOLFX-UHFFFAOYSA-N 279.339 3.574 30 20 CHED C=CCn1c(SC[C@H]2CC[C@@H](C)O2)nc2ccccc21 473402945 SOHYDOPMAIEHAQ-CHWSQXEVSA-N 288.416 3.882 30 20 CHED C=CCOCCCOc1cc(C)nc2c(C)cccc12 478795179 JVXBPGAKDSAVJS-UHFFFAOYSA-N 271.360 3.823 30 20 CHED C=CCn1cccc1-c1nc(-c2cc(C)ccc2F)no1 566035449 LLZURSVJOIEJKY-UHFFFAOYSA-N 283.306 3.839 30 20 CHED C=CCC1(C(=O)Nc2cccc(C(C)=O)c2O)CCCC1 565025491 TULPCVGFIYPEPW-UHFFFAOYSA-N 287.359 3.670 30 20 CHED CCOc1ccc(NN=Cc2cc(F)cc(F)c2)cc1 814985486 IPPCBPQAZNWVAS-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C[C@H](NC(=O)N1CCC(CCC#N)CC1)C1CCCCC1 569806127 HBHWMIUSKLMOMW-AWEZNQCLSA-N 291.439 3.681 30 20 CHED N#Cc1cc(Nc2cccc(-c3ccccc3)c2)ncn1 561437022 OTQIBSDETOLCAI-UHFFFAOYSA-N 272.311 3.759 30 20 CHED Cc1nc(N2CCC[C@H](Cc3ccccc3)C2)ccc1C#N 488071425 XWSIPKWPGQJLQJ-QGZVFWFLSA-N 291.398 3.721 30 20 CHED C1=C([C@H]2CCCCC2=NNc2cccnn2)CCCC1 814852903 UFMUPLUEFMEKSU-CQSZACIVSA-N 270.380 3.935 30 20 CHED CC(C)[C@H](Sc1ccc(C#N)cc1)C(=O)NC(C)(C)C 488842894 KUJBCZPXUPARMN-AWEZNQCLSA-N 290.432 3.590 30 20 CHED CC[C@H]1CCCC1=NN[C@H](C)COc1ccccc1 811665751 UABFYBKPOHLDHE-KGLIPLIRSA-N 260.381 3.610 30 20 CHED C=CCC[C@H](CCC)NCC(F)(F)c1cccc(OC)n1 560581159 FQEAFYUQTGNVQV-ZDUSSCGKSA-N 298.377 3.907 30 20 CHED Cc1ccc2ncc(C#N)c(OCC(=O)CC(C)(C)C)c2c1 488289608 UJJFGOOPIACBBX-UHFFFAOYSA-N 296.370 3.799 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(F)c1 486770216 GPLGCMCGBNUEQG-CYBMUJFWSA-N 262.328 3.707 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 488772395 ZGOBYAINFNIEHM-RDJZCZTQSA-N 294.398 3.692 30 20 CHED CC#CCCCC(=O)Nc1cnn(-c2ccc(C)cc2)c1C 650966022 AIIHYGMEIBSDJE-UHFFFAOYSA-N 295.386 3.621 30 20 CHED N#C[C@@H](C(=O)C(F)=C1CCCC1)c1cnc2ccccc2n1 816045865 ZJHSQXAIPQLUQM-GFCCVEGCSA-N 295.317 3.604 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2c(C#N)cccc2C#N)C1 481032226 DNIIDVKNCHPLOJ-OAHLLOKOSA-N 267.376 3.692 30 20 CHED Oc1cccc(/C=N/Cc2ccc3sccc3c2)c1O 811624550 ILFXULDIBNZOBA-LICLKQGHSA-N 283.352 3.932 30 20 CHED c1ccc(CCCNN=C2CC[C@H]2C2CCC2)cc1 814837988 UGYJHXXLUVIASM-INIZCTEOSA-N 256.393 3.775 30 20 CHED C=CCC(F)(F)C(=O)N(CC)c1cccc(Cl)c1 814970762 BKYSPKLTUVKMCE-UHFFFAOYSA-N 273.710 3.904 30 20 CHED C#C[C@H](NC(=O)C(C)(CC)CC)c1ccc(Cl)cc1 811949305 UNIXOHCIEJGHQJ-AWEZNQCLSA-N 277.795 3.957 30 20 CHED C=CCCC1(C(=O)Nc2cccc3c2OCCC3)CC1 483847999 JJUIPYRUIPGRPR-UHFFFAOYSA-N 271.360 3.697 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)[C@H](C)OC)cc1 810258469 WBNSNVMHCARSDX-RDBSUJKOSA-N 297.826 3.892 30 20 CHED C=CCOCCOc1ccc(-c2ccccc2)cc1C=O 814745783 HDINXTCOUQIEEW-UHFFFAOYSA-N 282.339 3.748 30 20 CHED Cc1ccc(NN=C2CCC(C(C)(C)C)CC2)nn1 729935971 ZRXHUGFQDLMJOP-UHFFFAOYSA-N 260.385 3.789 30 20 CHED CC#CCN(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 575112363 MSBZWPXWCSYXRN-UHFFFAOYSA-N 295.407 3.609 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CSc1ccccc1Cl 488824144 ZDWGWEJSFDHRTF-GFCCVEGCSA-N 295.835 3.999 30 20 CHED CSCC[C@](C)(C#N)NC(=O)C[C@H](C)C1CCCCC1 571799849 OAJWMOKEULCFEC-XJKSGUPXSA-N 296.480 3.744 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2ccccc2C)c1 728481216 PPGHLLURPJKMMD-UHFFFAOYSA-N 277.367 3.572 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)cn1 728810644 KWJZFIXVRAIVBN-OAHLLOKOSA-N 292.382 3.513 30 20 CHED C=CC(C)(C)CNC(=O)c1ccsc1C(F)F 821428534 NQXOGXDQMAHGGR-UHFFFAOYSA-N 259.321 3.628 30 20 CHED CC(C)N(C/C=C/c1ccc(F)c(F)c1)CCC#N 575586782 GDKAXLNUXSBOBF-HWKANZROSA-N 264.319 3.602 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)Cc1ccccc1Cl 822528686 IJEXJPNARSMOHB-LLVKDONJSA-N 265.784 3.599 30 20 CHED CC(=NNCCCc1ccccc1)c1nc(C)sc1C 729145979 JAGGFMCGACITGO-UHFFFAOYSA-N 287.432 3.706 30 20 CHED C#CCCCOC(=O)CSc1ccc2ccccc2c1 727040864 JDNXNXRBCDTQMG-UHFFFAOYSA-N 284.380 3.889 30 20 CHED CC(C)N(CCC#N)CCc1ccc(F)cc1Cl 581282837 PNLQORSQBRTTSW-UHFFFAOYSA-N 268.763 3.646 30 20 CHED C=C1CCN(CCCOc2c(C)cccc2C)CC1 496881039 HWVNDAFGGLAYML-UHFFFAOYSA-N 259.393 3.724 30 20 CHED C#C[C@@H](NC1CCC(OCC)CC1)c1ccc(Cl)cc1 825949698 ZXUSIBBYFDTESK-OFLPRAFFSA-N 291.822 3.952 30 20 CHED N#CC1(c2ccc(-c3cccc4c3CNC4=O)s2)CCC1 904901504 GCBMNXHRQDILJH-UHFFFAOYSA-N 294.379 3.604 30 20 CHED CC(C)(C)N(Cc1ccccn1)C(=O)CCCCCC#N 588969486 NPIGLIHYNWUJSS-UHFFFAOYSA-N 287.407 3.683 30 20 CHED N#CCC[C@@H](NC(=O)c1occ2c1CCC2)c1ccccc1 586800406 MSCVIRUFBVCMHB-MRXNPFEDSA-N 294.354 3.543 30 20 CHED C=CCN(Cc1ccccc1F)Cc1c(C2CC2)cnn1C 667544980 SHDKZYBXPLZAJU-UHFFFAOYSA-N 299.393 3.625 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ncc(F)cc1F 835022917 WJVUHOLXNUFFRY-QMMMGPOBSA-N 253.296 3.584 30 20 CHED CCc1nc(SCc2cc(C#N)ccn2)sc1C 901571148 AIWQKBPQWXHIKB-UHFFFAOYSA-N 275.402 3.573 30 20 CHED C#CCOc1cccc(NC(=O)NCCC2=CCCCC2)c1 731110813 DGOXSKIWFDFLJI-UHFFFAOYSA-N 298.386 3.711 30 20 CHED CS[C@H](C)CCOC(=O)C[C@@H](CC#N)c1ccccc1 835672660 VFKPGIQOHHJDHP-UKRRQHHQSA-N 291.416 3.759 30 20 CHED CC[C@H](N[C@H](C)Cc1ccccn1)c1cccc(C#N)c1 903044997 PBUCAJVLEQEDRJ-KDOFPFPSSA-N 279.387 3.625 30 20 CHED COc1cccc(/C=N\[C@H](Cc2ccccc2)C2CC2)c1O 736430867 LBFUDGODDCAJPH-VJOZSWGJSA-N 295.382 3.841 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1cccc(C(F)(F)F)n1)OC 834959582 VHBWDVBLCYQLJA-NXEZZACHSA-N 289.301 3.559 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2c(F)cccc2Cl)C1 839060346 ZQOAGWCRWNPECR-NXEZZACHSA-N 281.714 3.718 30 20 CHED CC(C)(C)OC(=O)N[C@H](C=NOC1CCCC1)CC1CC1 834969886 YVZCHNCKJPNDAI-ZDUSSCGKSA-N 296.411 3.625 30 20 CHED C#Cc1ccc(C(=O)N(C(C)C)[C@H](C)c2ccccc2)cn1 839366771 TXEYQLADPWCTFO-OAHLLOKOSA-N 292.382 3.675 30 20 CHED C#CCCCC(=O)N1CC[C@H](CC(C)(C)C)C1(C)C 839890856 KGTNXQLLBGJXAA-CQSZACIVSA-N 263.425 3.853 30 20 CHED C=C(Br)COC(=O)[C@@H](C)CC1CCCC1 734051395 AQICASKFJRNLNK-VIFPVBQESA-N 275.186 3.655 30 20 CHED COc1ccc(Cl)cc1[C@H](C)NCC(C)(C)C#N 903100502 QKAOPNDQQQSIDZ-JTQLQIEISA-N 266.772 3.549 30 20 CHED C[C@@H](C=NOC/C=C\Cl)c1cc(F)cc(F)c1 834978521 HPVXCNALEDKNLE-JUXBQEAESA-N 259.683 3.823 30 20 CHED FC(F)(F)c1ccnc(NN=C2CC[C@@H]2C2CC2)c1 834984659 DNCAZTOAMRTQIC-SNVBAGLBSA-N 269.270 3.688 30 20 CHED CC(C)Oc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 839040991 CCORKMYRSHFHGU-BBRMVZONSA-N 287.359 3.713 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CSc2ccccc21 833094998 UQFHQDKJJBAOKD-CQSZACIVSA-N 287.428 3.576 30 20 CHED C=C[C@@](C)(CC)C(=O)OC[C@]1(C)CC1(Cl)Cl 837658946 RCXVRULJBNXBCP-QWRGUYRKSA-N 265.180 3.716 30 20 CHED C=CCC1(C(=O)OCC2(C#N)CCCC2)CCCC1 835282953 NUBIEDICDOHVOS-UHFFFAOYSA-N 261.365 3.750 30 20 CHED N#Cc1ccc(CCC(=O)N2CCCCCCCC2)cc1 836927051 NKSJFSKONOUFBJ-UHFFFAOYSA-N 284.403 3.674 30 20 CHED Brc1ccc(NN=C[C@@H]2CC=CCC2)cn1 732713624 IMHLHHDIGAEDKN-SNVBAGLBSA-N 280.169 3.598 30 20 CHED CCCCc1ccc(C(C)=NNc2cccnn2)cc1 735975282 ZSGMWYAYJYTCFH-UHFFFAOYSA-N 268.364 3.655 30 20 CHED CN(CCC(C)(C)C)C(=O)Nc1ccc(F)c(C#N)c1 592228134 LCKQPXXAZPWLKL-UHFFFAOYSA-N 277.343 3.597 30 20 CHED Cc1csc([C@@H](NCCc2ccc(C#N)cc2)C2CC2)n1 595425495 SLKRNRNRPZRSEB-INIZCTEOSA-N 297.427 3.607 30 20 CHED N#CCC1(CSCc2csc(C3CC3)n2)CC1 596349930 RADPEINAWQWQAP-UHFFFAOYSA-N 264.419 3.948 30 20 CHED Cc1ccc(C=NOCc2cc(F)ccc2F)cc1 917396674 HUAGSWOTWUNOKB-UHFFFAOYSA-N 261.271 3.824 30 20 CHED CCc1nc(SCCCC#N)c2ccccc2n1 594466912 ONXAXZIAVSQSFZ-UHFFFAOYSA-N 257.362 3.588 30 20 CHED C#Cc1cccc(NCc2ccc(F)c3cccnc23)c1 748452557 PDCYCEUANPBHHA-UHFFFAOYSA-N 276.314 3.967 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 599527880 WHKHDUJJWIWOGC-URLQWDBASA-N 298.430 3.762 30 20 CHED CC(C)(C)c1cc(Oc2cccc(F)c2C#N)ncn1 596174956 OOASWRXFYJHQLE-UHFFFAOYSA-N 271.295 3.577 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1ccc2c(c1)COC2 742437378 UICVHDQQKLXALG-GQCTYLIASA-N 286.277 3.891 30 20 CHED CCCc1ccc(CCCC(=O)N(C)C[C@@H](C)C#N)cc1 592755202 NRTGAUBCDNZLIH-HNNXBMFYSA-N 286.419 3.580 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccc([C@@H]2C[C@H]2C)o1 917557115 XXADBQRNTKDDIR-CZQJNWOCSA-N 285.343 3.736 30 20 CHED N#CCCNC(=O)c1sc2cccc(Cl)c2c1Cl 912994362 MJZHRYPGXXDKKB-UHFFFAOYSA-N 299.182 3.852 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C[C@H](O)CC(C)(C)C#N 598592801 NHGHMSRGCDEUCZ-IAGOWNOFSA-N 288.435 3.616 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2Cl)C1 596631160 VDODDAJKNDBHIM-JTQLQIEISA-N 295.745 3.637 30 20 CHED CC[C@@H](C#N)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 593520713 CDRFEAWCXOXXSJ-VIFPVBQESA-N 297.185 3.648 30 20 CHED C[C@@H](C#N)N(C(=O)c1cccc(OC2CCCC2)c1)C1CC1 598128009 FXGZAIAAXMBPPY-ZDUSSCGKSA-N 298.386 3.525 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)CC1(C#N)CCCCC1)CC2 597166769 QDAPAEKTWNOWFO-QGZVFWFLSA-N 296.414 3.963 30 20 CHED CCn1c(C(C)=NNCc2ccccc2)nc2ccccc21 741457011 QWACHULRPCVOIM-UHFFFAOYSA-N 292.386 3.570 30 20 CHED C[C@@H](OC(=O)[C@H](C)c1ccco1)c1ccc(C#N)cc1 748679480 HHYKAIJFBLWZAG-VXGBXAGGSA-N 269.300 3.559 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc2c(c1)COC2 742433985 BQZIVZVSVUJRDL-VOTSOKGWSA-N 294.350 3.930 30 20 CHED CCc1ccc(CC(=O)OCc2ccc(F)cc2C#N)cc1 745116105 BCLJABHUMMMEIP-UHFFFAOYSA-N 297.329 3.546 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C/c1cc(OC)ccc1O 749930730 MWCQHCQZGHDXGG-IMQDNRRESA-N 293.432 3.884 30 20 CHED CO[C@@]1(C)CC(=NNc2ccc3ccccc3n2)C1(C)C 746558520 PHSAJVZYPPTRIJ-KRWDZBQOSA-N 283.375 3.838 30 20 CHED Cc1cc(F)cc(C)c1C(=O)OCCCC(C)(C)C#N 849983077 BMUVSXKRTFMJIE-UHFFFAOYSA-N 277.339 3.929 30 20 CHED C#CCN(C[C@H]1CC1(Cl)Cl)[C@@H]1CCc2ccccc21 747528831 OTHMVQQRWVYVEK-UKRRQHHQSA-N 294.225 3.803 30 20 CHED C=C(C)CNc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 915216394 HVYLFDJJCYMRFY-HUUCEWRRSA-N 286.419 3.793 30 20 CHED C=CCN(C(=O)NCC(CC)(CC)SC)C(C)C 745908909 VDUBSVIINWLTRF-UHFFFAOYSA-N 272.458 3.514 30 20 CHED CC1(C)C[C@]1(CNC(=O)C1(C#N)CCCC1)c1ccccc1 598579708 ZWWLVSDMNHMFEL-IBGZPJMESA-N 296.414 3.554 30 20 CHED CCCCCCCC(=O)N1CCC(CN(C)C(C)C)CC1 918701280 QERLZAYREPVIGM-UHFFFAOYSA-N 296.499 3.926 30 20 CHED C=C(Cl)CSCCCOc1ccc(C#N)cc1 917952995 LNXZMOMMVYLQKF-UHFFFAOYSA-N 267.781 3.813 30 20 CHED Clc1ccc(C=NNc2cccc3cnccc23)cn1 748788312 QEEVFIXOKJRLIH-UHFFFAOYSA-N 282.734 3.729 30 20 CHED N#CCC1(COc2cccc(-c3ccccn3)c2)CC1 596318237 RPVODXZFQNAJJM-UHFFFAOYSA-N 264.328 3.821 30 20 CHED C[C@@H](c1ccccc1)n1cnnc1SCC1(CC#N)CC1 594886075 MQFBAHQADGRDIQ-ZDUSSCGKSA-N 298.415 3.673 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)c1ccc(C#N)cc1 595461991 RYUFKKZGNJCMLA-IFWAZGHOSA-N 297.402 3.592 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1ccco1 747636198 UXPLCEWRUDLGDM-UHFFFAOYSA-N 252.676 3.908 30 20 CHED CC[C@@H]1C[C@H]1CNC(=S)Nc1ccc(C#N)c(Cl)c1 840797685 WCUSJFUEWDDOLA-KOLCDFICSA-N 293.823 3.544 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cnc(F)c(Cl)c1 924233689 UYRUSNLQSJGVCX-UHFFFAOYSA-N 298.745 3.751 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCc1ccc(C)cc1C 682367709 VJWCSHQAUPFYFJ-SFHVURJKSA-N 273.420 3.955 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc3ccccc3c2)cn1 920991484 KLAJUGJTLRUNAL-NTMALXAHSA-N 276.339 3.952 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1ncco1)c1ccc(F)c(F)c1 926205051 CIHTVWXNRLAVST-HZMBPMFUSA-N 278.302 3.921 30 20 CHED CC1CC(C#N)(C(=O)OCc2cccc(C(C)C)c2)C1 853905330 UVMFURMWVGIJMO-UHFFFAOYSA-N 271.360 3.793 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1cccc2c1CCCC2 751527520 VFOOGFVRHBFTAZ-AWEZNQCLSA-N 272.392 3.780 30 20 CHED N#Cc1cccc(N[C@@H](c2ccccc2)C2CCOCC2)n1 755908378 OJIBRCQKZRDYKX-SFHVURJKSA-N 293.370 3.533 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(C(F)F)nc1 851206192 PDBWKBLOVBORJN-SECBINFHSA-N 282.290 3.504 30 20 CHED CCOc1ccccc1C/N=C\c1cccc(OCC)c1O 920172881 LYSSVUYMDZXGGH-UYRXBGFRSA-N 299.370 3.809 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 920385665 FNMIIJVIHAJTKT-ZDUSSCGKSA-N 296.370 3.533 30 20 CHED CC#CC(=O)N(CC(C)C)[C@@H](C)c1ccccc1C 854409832 MZVWVLQQRWSVDA-HNNXBMFYSA-N 257.377 3.564 30 20 CHED C=CCCCCCN1CCC[C@H](C[C@@H]2CCOC2)C1 683785710 OSAIUFFOPIJUGK-SJORKVTESA-N 265.441 3.871 30 20 CHED C=CCOCCSC[C@H](C)c1ccc(OC)cc1 853775621 XTGZODDXXWXYFJ-ZDUSSCGKSA-N 266.406 3.735 30 20 CHED C[C@H](NCCCCC#N)c1cc(-c2ccccc2)no1 924943226 TZRJHVXHXKFOBJ-ZDUSSCGKSA-N 269.348 3.686 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](C)C(C)(C)C2)cc1 680612503 BNMQLVFRCWLBHY-CQSZACIVSA-N 287.403 3.760 30 20 CHED COc1cccc2c1C/C(=C/c1ccccc1F)C2=O 759665944 SJRWCFCLNNUHTK-XFXZXTDPSA-N 268.287 3.657 30 20 CHED CC[C@@H](CC(=O)OCc1ccnc(C#N)c1)c1ccccc1 754727187 FOCSIPAKYXCSFK-HNNXBMFYSA-N 294.354 3.580 30 20 CHED C=C(C)CONC(=O)c1cccc(SC(F)(F)F)c1 855026595 JTYITGKVMHWWBY-UHFFFAOYSA-N 291.294 3.536 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CC[C@@H](CO)C1 759701174 LPTSTAAJWSOWIV-SIFUEBAJSA-N 281.440 3.524 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)Cc2c(F)cccc21 755589949 HFQSVKSAHIKRMV-ONNFQVAWSA-N 274.241 3.926 30 20 CHED C=CCCC(C)(C)NC(=O)/C(=C/c1ccccc1)OC 856372343 KPAKRKJFLMZKDT-SQFISAMPSA-N 273.376 3.535 30 20 CHED Cc1ccc([C@H](C)NCCc2ccc(C#N)cc2)c(O)c1C 850489858 XWPKKTJYVGBYMU-HNNXBMFYSA-N 294.398 3.774 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(C)cc2O)c1 757476736 RNEKBMDWFRUUPF-VQHVLOKHSA-N 282.339 3.743 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)CC(CC)CC 759220782 XLCVJELXJDZMGQ-UHFFFAOYSA-N 277.339 3.603 30 20 CHED COc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1C 858240228 FHVUPDQHGFIRBQ-CYBMUJFWSA-N 296.370 3.907 30 20 CHED C=CCCCCCN(C)C(=O)Nc1sccc1C#N 931844447 XDIIHHLCOUBTAT-UHFFFAOYSA-N 277.393 3.830 30 20 CHED N#C[C@@H]1CCCN(Cc2cc(Cl)cc3cccnc23)C1 932158446 HLOGRDGGLMPHRN-LBPRGKRZSA-N 285.778 3.624 30 20 CHED C#CCCCOC(=O)c1cnn(C(C)C)c1-c1ccccc1 753617951 WXLNIMJIUNMGQS-UHFFFAOYSA-N 296.370 3.701 30 20 CHED C#CC[C@H](CCOC)N[C@H](C)[C@H](C)c1ccc(Cl)cc1 862548370 DPTPNNINCDCPOF-JJRVBVJISA-N 293.838 3.850 30 20 CHED COc1ccsc1/C=C\C(=O)c1cccs1 764437676 UQISZJAQKJUABW-PLNGDYQASA-N 250.344 3.714 30 20 CHED CCCCCCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 862357011 MIOSXMNTVIIQJP-ZDUSSCGKSA-N 292.379 3.785 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C\c1ccccc1C(F)(F)F 865081630 KCIOMNZIAONDCZ-JLVNDZCYSA-N 296.292 3.527 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(OC)ccc1Cl 860198584 ZITCCPZMTFPFOS-UHFFFAOYSA-N 295.766 3.722 30 20 CHED Cc1ccc(C=NNCc2cnc3ccccc3c2)cc1 764775886 QBFXTUWUZCNBKM-UHFFFAOYSA-N 275.355 3.667 30 20 CHED Cc1cccc(NC(=S)Nc2cc(CC#N)ccn2)c1C 763169204 NTLXFYMXKHQQGL-UHFFFAOYSA-N 296.399 3.573 30 20 CHED C=CC[C@H](NCc1ccc(C#N)c(C)c1)c1ccncc1 767687024 BPEPKOFRMZUPIL-SFHVURJKSA-N 277.371 3.669 30 20 CHED CC(C)Cc1ccc(CC(=O)OCC2(C#N)CCC2)cc1 768079679 YYPGXBOJFOFJQL-UHFFFAOYSA-N 285.387 3.665 30 20 CHED NC(=NO[C@@H]1CCCc2ccc(F)cc21)c1cccs1 760173739 LCISCCCSPLXFSF-CYBMUJFWSA-N 290.363 3.602 30 20 CHED CCn1nnc(C)c1/C=C\C(=O)c1cccc(C(C)C)c1 863195790 MFPZDEUEENQORE-KTKRTIGZSA-N 283.375 3.626 30 20 CHED CC(C)C#CC(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 862962007 IZTAOKPWWFKIMT-IAGOWNOFSA-N 269.388 3.647 30 20 CHED Cc1cc(C(=O)Nc2cnc(Cl)cc2C#N)sc1C 1116907623 QHCZODWJVRUYJQ-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CCCC[C@H]1CCCC1=NNc1ccc(C(=O)O)cn1 763367893 IPTLYIVCWGLUOF-NSHDSACASA-N 275.352 3.538 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(OCC#N)cc1 1116140628 OKINIEZHHWIWEH-OLZOCXBDSA-N 289.379 3.535 30 20 CHED N#CCN(Cc1ccc(N2CCCC2)cc1)C1CCCC1 1116444785 GXNYFUZNXWMPNS-UHFFFAOYSA-N 283.419 3.555 30 20 CHED C#C[C@H](C)N(C)C(=O)c1c(-c2ccccc2)oc(C)c1C 767253639 TYVWCSSKUOQWEB-LBPRGKRZSA-N 281.355 3.657 30 20 CHED FC(F)(F)c1csc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)n1 762420407 FVUDKAMQONWIJI-CIUDSAMLSA-N 289.326 3.996 30 20 CHED Fc1ccc2[nH]cc(C=NNCCc3ccccc3F)c2c1 764720469 AVLMOMAMBUDAQS-UHFFFAOYSA-N 299.324 3.612 30 20 CHED CCC[C@@H](C)N(C)Cc1ccc(N(C)CCC#N)cc1 768339716 VEBHDSOJPZZWST-OAHLLOKOSA-N 273.424 3.657 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(C)c2ccc(C#N)c(Cl)c2)C1 876167007 IKTFIPIDFWTNSH-GHMZBOCLSA-N 276.767 3.611 30 20 CHED C=CC[C@@H](NC(=O)/C(C)=C(\C)CC)c1ccncc1 779944574 QUSLQKCNLNEFAC-RDRICISKSA-N 258.365 3.561 30 20 CHED C#CCCCCCC(=O)NCC1(Cc2ccccc2)CC1 779945121 XGVOFUCBSNEDHR-UHFFFAOYSA-N 283.415 3.709 30 20 CHED CCc1nc(C)c(C(C)=NOC2CCCC2)s1 774607632 GOYDBLJALAVOKO-UHFFFAOYSA-N 252.383 3.697 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 879124505 VKPNLAGJLSDPMN-GOEBONIOSA-N 287.403 3.577 30 20 CHED CCCCCCCCOCc1nc([C@@H]2CCCOC2)no1 771606233 RVMITISEJHCJID-CQSZACIVSA-N 296.411 3.841 30 20 CHED N#Cc1ccccc1N(C(=O)CCc1ccoc1)C1CCC1 1119487574 JMMXKEFYCMYZCN-UHFFFAOYSA-N 294.354 3.670 30 20 CHED CCCCN(C(=O)c1ccc(CC#N)cc1)c1ccncc1 876289228 JGGLJHVNLTZIDZ-UHFFFAOYSA-N 293.370 3.595 30 20 CHED Cc1cc2ccccc2nc1NN=C1C[C@H](C)N(C2CC2)C1 776783433 AXFKALNEJORNAS-ZDUSSCGKSA-N 294.402 3.568 30 20 CHED C#CCCCCCc1nc(-c2cc(C)ccc2F)no1 771198093 SUXULZPWCIOBGV-UHFFFAOYSA-N 272.323 3.920 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccc(C#N)cc1F)C2=O 772807092 POVKEROHGNVLOL-RIYZIHGNSA-N 293.297 3.665 30 20 CHED C/C=C(/C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 770445690 BQVYBJREDUNBGG-SGRPLGENSA-N 274.389 3.649 30 20 CHED C=CCSc1ccccc1C(=O)NCCC(C)(C)OC 871258362 LTGDDLYAGDWAIG-UHFFFAOYSA-N 293.432 3.510 30 20 CHED C=C(C)CCN1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 775601520 CRDFTYFOLOOWCU-VYDXJSESSA-N 259.393 3.803 30 20 CHED CCOCCON=C1CC=C(c2ccc(F)cc2)CC1 774416628 FSNIPOPKRZRWFK-UHFFFAOYSA-N 277.339 3.802 30 20 CHED C#CCOc1ccc(F)cc1N[C@@H](C)c1cccc(C#N)c1 777114420 KJPMYNUZEQAWRJ-ZDUSSCGKSA-N 294.329 3.882 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H](c1ccccc1)C1CC1 776394839 AZVHMAILSMBYDI-HNNXBMFYSA-N 271.360 3.663 30 20 CHED CCOCCON=C(C)c1ccc2c3c(cccc13)CC2 774416211 FFYLFWMLJYHHPA-UHFFFAOYSA-N 283.371 3.716 30 20 CHED Cc1cc(C(=O)O[C@H](C#N)C2CCCCC2)c(C)o1 776356629 HHEXSNRWUCETLP-CQSZACIVSA-N 261.321 3.526 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)[C@@H]1CCCOC1 779759931 LFKFHUPIPCTBDG-SECBINFHSA-N 288.178 3.603 30 20 CHED C=C(Br)COC(=O)c1c[nH]c2ccc(C)cc12 780253878 ZXGFXZPOTITKQZ-UHFFFAOYSA-N 294.148 3.542 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2cc(C#N)ccc2F)C1 1129764702 AGVBAFCZJOZWHW-ZDUSSCGKSA-N 288.366 3.644 30 20 CHED C=C(CC)C(=O)Nc1cccc(OCC(F)(F)F)c1C 1123551372 CTCHVNBMBPOAQE-UHFFFAOYSA-N 287.281 3.841 30 20 CHED CC(=NOCC(C)C)c1cc(Br)cs1 782255580 UNMOFPJZCIJHBO-UHFFFAOYSA-N 276.199 3.907 30 20 CHED N#C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C1CCCC1 893704684 MKXXHWBCOLYTEH-CYBMUJFWSA-N 296.292 3.518 30 20 CHED CC(C)C1CCC(=NN[C@H](CO)c2ccccc2)CC1 788459078 BSUXGCASPOLRJJ-FBMWCMRBSA-N 274.408 3.512 30 20 CHED O=C(/C=C/c1cc(Cl)cc2c1OCC2)c1ccncc1 782880153 KVFCSPHHCBXQIQ-OWOJBTEDSA-N 285.730 3.566 30 20 CHED CC1(C)C(=NNc2ccccn2)C[C@H]1Oc1ccccc1 788964475 NQCTXBUSGUXGTQ-OAHLLOKOSA-N 281.359 3.727 30 20 CHED CC(=NN=c1cc[nH]cc1)c1cc2ccccc2s1 780242994 MABHMICDMNXDAY-UHFFFAOYSA-N 267.357 3.554 30 20 CHED C=CC[C@@H](C(=O)N(CC(F)F)C1CCC1)c1ccccc1 895143398 LDUWBLTUNMWLKN-OAHLLOKOSA-N 293.357 3.993 30 20 CHED C=CCN(C(=S)NCCCCCCSC)C(C)C 782195698 JSIRJXZINYELBI-UHFFFAOYSA-N 288.526 3.681 30 20 CHED CCC(C)(C)CC(=O)OCc1ccc(C#N)c(C)c1 783947393 PFEPNQDTGXBMFN-UHFFFAOYSA-N 259.349 3.736 30 20 CHED CC[C@H](C)n1nc(C(=O)OCCCC(C)(C)C#N)cc1C 784581817 JGERUTBMKKKOEY-LBPRGKRZSA-N 291.395 3.649 30 20 CHED COc1ccc([C@@H]2CCCN2c2cc(C)cc(C#N)n2)cc1 891509275 LTPTWSFUFBVVQX-KRWDZBQOSA-N 293.370 3.612 30 20 CHED CC(C)(CCC#N)COC(=O)c1c[nH]c(C(F)(F)F)c1 797221110 WVNCOOPYDLKUMJ-UHFFFAOYSA-N 288.269 3.520 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1sc2ccccc2c1C 1138086054 JCIXEEOBVUIMLR-NEPJUHHUSA-N 286.400 3.937 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2C[C@@H]2C2CC2)s1 797572588 CWVFKJBKBDHKFS-GRYCIOLGSA-N 288.416 3.663 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NOC2CCOCC2)C1 799113831 WIAOSEYVAMQXLG-AWEZNQCLSA-N 288.391 3.599 30 20 CHED CSCCON=Cc1cc2ccccc2nc1Cl 794574760 OLNXIRHEXIPGKV-UHFFFAOYSA-N 280.780 3.602 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)[C@@H](C)c1ccccc1Cl 791059570 RLRRTXPHGWEDOB-STQMWFEESA-N 292.810 3.844 30 20 CHED CSc1ccccc1[C@H](C)NC(=O)C#Cc1ccccc1 799403065 AORBMBOJVAKPFF-AWEZNQCLSA-N 295.407 3.637 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1ncccc1F 794983416 HCKZZAQBGCIUDI-UHFFFAOYSA-N 277.730 3.905 30 20 CHED O=[N+]([O-])c1ccc(NN=CCC2CCCCCC2)nc1 799108798 KITHAKCFXKYYCI-UHFFFAOYSA-N 276.340 3.748 30 20 CHED FC(F)c1ccc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)cc1 794526325 JXYBVATWMMFXDA-FPMFFAJLSA-N 264.319 3.736 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OC2(C3CC3)CC2)cc1 796739214 JRFKVWUPSRFMGD-UHFFFAOYSA-N 269.344 3.587 30 20 CHED C[C@@H](ON=Cc1cccc(F)c1)c1cccc(C#N)c1 794716732 XPQMLFJVZKXEQV-GFCCVEGCSA-N 268.291 3.809 30 20 CHED CSCCON=C1CCC[C@H]1c1ccc(C)cc1 794571473 AJIATSQUHQQYLN-AWEZNQCLSA-N 263.406 3.998 30 20 CHED C#C[C@H](CCC)NC(=O)c1oc2c(C)cccc2c1C 791204753 GNZIGZYIYCPQMO-CYBMUJFWSA-N 269.344 3.581 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2cc(C)ccc2F)[C@H]1C 794519881 IRHQXJRLCFJBNI-NWDGAFQWSA-N 292.354 3.511 30 20 CHED N#CCCCCOC(=O)[C@H](F)CC1CCCCC1 796208985 MOLYXAQBXOLFLB-CYBMUJFWSA-N 255.333 3.532 30 20 CHED CC[C@H](C)NN=Cc1ccc(Br)cc1Cl 790183885 WSIUYXBLNJXJBH-QMMMGPOBSA-N 289.604 3.825 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1CCc1ccccc1 791066679 FPUVXTLOCCKUCK-MSOLQXFVSA-N 298.430 3.595 30 20 CHED C=CCC[C@@H](CC)Nc1cc(N2CCOCC2)ccc1C 797587469 JZSRZASANTXZFX-MRXNPFEDSA-N 288.435 3.988 30 20 CHED C=C(CC)COC(=O)c1cn2cc(Cl)cc(Cl)c2n1 799590922 TWKVIOGFWPTIKZ-UHFFFAOYSA-N 299.157 3.764 30 20 CHED CCC(=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCOCC1 794541111 IJWTWSQPUGGUHW-UWWQBHOKSA-N 292.467 3.983 30 20 CHED C[C@H](NN=C[C@H]1CCOc2ccccc21)C(C)(C)C 793118024 ZFUBJXCIZCPSPS-QWHCGFSZSA-N 260.381 3.563 30 20 CHED CSCCON=C1CC[C@](C)(c2ccccc2)C1 794572018 JJMPHHGLABXZQD-HNNXBMFYSA-N 263.406 3.864 30 20 CHED C=C(C)COc1ccc(Br)cc1C(C)=O 47915118 WAEBXRBMYRWLHD-UHFFFAOYSA-N 269.138 3.607 30 20 CHED Cc1ccc(CN(C)c2nc(C#N)c(Cl)s2)cc1C 1163499876 FXYXPCDDIQZJBM-UHFFFAOYSA-N 291.807 3.921 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(F)c(OC)c1 1319910736 DOUAYYVGOVMIII-UHFFFAOYSA-N 289.350 3.658 30 20 CHED Cc1cc(F)cc(-c2nnc(-c3cccc(C#N)c3)o2)c1 1322997386 SHHVRANKXFYPDH-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CCOC(=O)Nc1ccc(F)c(F)c1C#C[Si](C)(C)C 169993263 QFMVHMTUINDFGX-UHFFFAOYSA-N 297.377 3.762 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1ccc(Br)cn1 279650538 FADXBGPPEZRGQE-QWRGUYRKSA-N 283.213 3.849 30 20 CHED O=C(CC#Cc1ccccc1)N1CCCCc2sccc21 1326960180 JQTXSIIEXYDMBR-UHFFFAOYSA-N 295.407 3.859 30 20 CHED Cc1ccccc1-c1nnc(-c2cccc(C#N)c2)o1 1322454054 SOTLIEYAOJVOAP-UHFFFAOYSA-N 261.284 3.584 30 20 CHED C=C[C@@H](COC)N[C@@H](CC)c1ccc(Br)cc1 1320306609 XPCOOQQSMBLPHB-KBPBESRZSA-N 298.224 3.691 30 20 CHED C[C@H](SCCCC1(C#N)CCOCC1)c1cccnc1 1324105337 OSJROPJITGUMAG-AWEZNQCLSA-N 290.432 3.976 30 20 CHED N#Cc1cccc(CN2CCCC3(CCCCC3)CC2)n1 1180917674 ZHKQPVOITMFWGP-UHFFFAOYSA-N 283.419 3.890 30 20 CHED CC(C)c1ccc(CN(c2cncc(C#N)n2)C2CC2)cc1 1184645070 YBTJENHMQDJRAK-UHFFFAOYSA-N 292.386 3.641 30 20 CHED CC(=O)c1ccc(OC(=O)c2cccc(C#N)c2C)c(C)c1 1322687939 YHVJDXZOVHPAER-UHFFFAOYSA-N 293.322 3.597 30 20 CHED COc1ccccc1CC(C)(C)Nc1cc(C)c(C#N)cn1 1185676545 FPCFDRVXXSJFOI-UHFFFAOYSA-N 295.386 3.704 30 20 CHED C[C@H](Sc1cccnc1C#N)c1nc2ccccc2o1 1189339187 WZAKHQYGCWURIK-JTQLQIEISA-N 281.340 3.948 30 20 CHED CN(C(=O)c1cccc(C#N)c1)C1CCC(C)(C)CC1 94820051 TVVMUDHCMXDFNG-UHFFFAOYSA-N 270.376 3.599 30 20 CHED C=C[C@H](CC)CC(=O)NCc1cccc(C(F)F)c1 1333511310 SCUVIEFVXPDPGF-LLVKDONJSA-N 267.319 3.843 30 20 CHED C#CCCOC(=O)N(c1ccc(CC)cc1)C(C)C 1331349196 ACWWOSNIBZRQPQ-UHFFFAOYSA-N 259.349 3.624 30 20 CHED Cc1cc(-c2nnc(C3(C#N)CCC3)o2)c2ccccc2n1 1261428518 QQAAKQATEAIIKL-UHFFFAOYSA-N 290.326 3.539 30 20 CHED Cc1coc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 1265487053 JOYPZUILJYARLJ-UHFFFAOYSA-N 294.232 3.731 30 20 CHED C=C[C@H](COC)NC[C@H](C)c1ccc(C(F)(F)F)cc1 1343276523 TWARWTROYBQNKK-SMDDNHRTSA-N 287.325 3.600 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccn2cc(C)nc2c1 1345349451 LYRBKVKNVRWQDM-HNNXBMFYSA-N 298.390 3.605 30 20 CHED CSc1ccc(C=NOCc2ccccc2)cc1 1317785547 LGWQOQXCLMEGPZ-UHFFFAOYSA-N 257.358 3.959 30 20 CHED CSc1cccc(NC(=O)c2cc(C#N)ccc2F)c1 1349564545 MWVCHTWHMUSUKL-UHFFFAOYSA-N 286.331 3.672 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)c1ccco1)c1cccs1 1345106768 XBMOFXQJMXKURM-ZWNOBZJWSA-N 275.329 3.789 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(F)c2ccccc12 1355089135 QVYHHOOOXVEGFT-GFCCVEGCSA-N 284.334 3.743 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(F)c(F)cc1OC 1528426438 PJRHWJZCIGTGMB-UHFFFAOYSA-N 269.291 3.514 30 20 CHED Cc1cc(F)ccc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 1522592251 VARJPSNYFHKNMW-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cc(OC)c(C#N)cc1F 1533722825 LXSLHUKXWWIPTR-NSHDSACASA-N 292.354 3.717 30 20 CHED CC[C@H](NC(=O)[C@H](CC#N)c1ccccc1)C1CCCC1 1525704101 MLBQJHAFRNNDHI-SJORKVTESA-N 284.403 3.769 30 20 CHED N#Cc1cc(-c2ccc(C3CC(C(=O)O)C3)cc2)ccc1F 1601084918 IHAAVBDQIRIIDO-UHFFFAOYSA-N 295.313 3.943 30 20 CHED CSCc1ccc(NC(=O)c2cc(C#N)ccc2C)cc1 1537100129 LDRXVZGLMSBBEZ-UHFFFAOYSA-N 296.395 3.982 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C#N)c1 1460831987 HFQXSKVXUBUTRC-CABCVRRESA-N 270.376 3.503 30 20 CHED CC(C)COc1ccc(Oc2c(C#N)cccc2C#N)cn1 1612516415 QCJZJBPPOUINLA-UHFFFAOYSA-N 293.326 3.652 30 20 CHED C=C(Br)CN[C@@H](C)[C@H]1CCC[C@H](C)C1 1473553966 UNNWTPHPLJMPQP-DLOVCJGASA-N 260.219 3.699 30 20 CHED Cc1cc(NC[C@@H](Nc2ccccc2)C(C)C)ncc1C#N 1611770539 YJWYULNXPTUZPL-QGZVFWFLSA-N 294.402 3.810 30 20 CHED C[C@@H](CN(C)Cc1cc(C#N)ccn1)C1CCCCC1 1473705997 IJBFOVNCHXTBHQ-AWEZNQCLSA-N 271.408 3.601 30 20 CHED Cc1c(Cl)cnc(N[C@H]2C[C@@]2(C)C(C)C)c1C#N 1472801068 INTAZSJWQJZCAP-JSGCOSHPSA-N 263.772 3.762 30 20 CHED CCCCCCCCNCc1cccc(OC)c1O 106291574 FEZUXKYHQQTVPR-UHFFFAOYSA-N 265.397 3.851 30 20 CHED C=CC[C@H](S[C@H](C)c1ccc(OC)cc1)C(=O)O 1573352388 BDLQSKWHKXAYSN-MFKMUULPSA-N 266.362 3.519 30 20 CHED CC(C)(Nc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1587330860 VYUXXNZIBLYLSZ-UHFFFAOYSA-N 297.333 3.527 30 20 CHED CCOC(=O)c1cccc(Sc2cc(C)c(C#N)cn2)c1 1651035062 WOBCAXKWGJSAQH-UHFFFAOYSA-N 298.367 3.590 30 20 CHED N#CC1(CCN[C@H]2CCc3ccccc3OC2)CCCCC1 1653416197 CQSFOFVWVXPPNJ-KRWDZBQOSA-N 298.430 3.834 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(=O)O)cc2F)CCCC1 1588458031 PJFBNUKJGZKZPL-UHFFFAOYSA-N 291.322 3.599 30 20 CHED C=CCc1ccccc1CNC[C@](C)(CC(C)C)C(=O)O 1776189786 XTFIYAAEDOUBSC-SFHVURJKSA-N 289.419 3.642 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cc(C)cc(C#N)c2)cc1 1672285205 IEGHPEJMFVFTBV-UHFFFAOYSA-N 279.343 3.843 30 20 CHED C=C(C)CCCC(=O)Nc1sc2c(c1C(=O)O)CCC2 1776138320 JSWNXZLCSQOWRD-UHFFFAOYSA-N 293.388 3.620 30 20 CHED O=C(/C=C\c1ccc(F)c(C(=O)O)c1)c1cccc(F)c1 1776129777 WCDWKBGRFJXHMS-ALCCZGGFSA-N 288.249 3.559 30 20 CHED C=CCC[C@@H](NC(=O)NC(C)(C)C)c1ccccc1 161116834 OLMSLQNFKLEOQE-CQSZACIVSA-N 260.381 3.792 30 20 CHED CC(C)(C#N)CCCSCc1noc(C2CC2)n1 161906910 JSKRGUGWFACTAY-UHFFFAOYSA-N 265.382 3.510 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(Cl)cc2C)c1 162001459 OXTOHRFDPUROKN-UHFFFAOYSA-N 269.731 3.882 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccccc2F)cc1 160727197 QJNVQNLAELMKDF-AWEZNQCLSA-N 298.361 3.749 30 20 CHED C=CCCS[C@H](C)C(=O)N(CC)c1ccccc1 151979799 OKRUKYLKPOWAMS-CYBMUJFWSA-N 263.406 3.737 30 20 CHED C/C=C/c1ccc(OC[C@@H](C#N)CCC#N)c(OC)c1 153224457 HWINUTCTPHLVPM-LYKUJDHUSA-N 270.332 3.551 30 20 CHED C=C(C)CSCC(=O)N(C)[C@@H](C)c1ccccc1OC 155057133 GXXKPMGQXXBXCW-ZDUSSCGKSA-N 293.432 3.524 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(OC(C)C)c(C)c1 156109332 XDXYMTKTGHQVPU-ZDUSSCGKSA-N 289.379 3.596 30 20 CHED COc1ccc([C@@H]2CCN(Cc3ccccc3C#N)C2)cc1 155279682 KMNPMNAMIMTLEL-GOSISDBHSA-N 292.382 3.556 30 20 CHED CCOc1ccc(NC(=O)N[C@@H](CC)CC#N)cc1Cl 155783669 CHYUDSOOXKXHPB-JTQLQIEISA-N 295.770 3.552 30 20 CHED C=C(C)CN1CCC(N[C@H](C)CC2CCCC2)CC1 156807565 SPJGQDIENXKXSV-OAHLLOKOSA-N 264.457 3.585 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1 207709522 OORIMKLRUMURLO-HYXAFXHYSA-N 280.323 3.928 30 20 CHED CCC1(CC)CCN(Cc2ccc(C#N)c(C)c2)C1 1658549819 WUUPKATZVRXTGC-UHFFFAOYSA-N 256.393 3.879 30 20 CHED COc1cc(C#N)cc(OCc2ccc(Cl)s2)c1 234981859 XBHCZECXNPDNHK-UHFFFAOYSA-N 279.748 3.861 30 20 CHED COc1cc(C#N)ccc1OCc1csc(C(C)C)n1 31646320 KIFFJJRWKMQBAY-UHFFFAOYSA-N 288.372 3.726 30 20 CHED CC#CCN[C@H](C)C(c1ccccc1)c1ccccc1 163614691 TWAIJSZKBZFQGZ-MRXNPFEDSA-N 263.384 3.820 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1cccc(C)c1 40217772 ZJOVILPWWZXWEZ-UHFFFAOYSA-N 264.328 3.533 30 20 CHED COc1ccc(CNc2cc(Cl)ccc2C#N)c(O)c1 40906255 ABIJPODJXBOOBT-UHFFFAOYSA-N 288.734 3.538 30 20 CHED C[C@H](NC[C@H]1CCC[C@H]1C)c1ccc(OCC#N)cc1 300328645 PECFOPDGWBITSZ-IJEWVQPXSA-N 272.392 3.676 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(Cl)cc2)c1 308215460 ZJTUHLVBFBMDFR-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C=C[C@@H](C)N[C@H]1CCCc2cc(Br)ccc21 309573296 OFHJCLOIBKENPE-YGRLFVJLSA-N 280.209 3.991 30 20 CHED C=C(C)CCN[C@H]1CCC[C@H]1OCc1ccccc1 510632263 VTFRRHRIRFJIPV-DLBZAZTESA-N 259.393 3.680 30 20 CHED N#Cc1cnc(NCCCOC2CCCCC2)c(Cl)c1 608884995 AHFVNENMRPOMCS-UHFFFAOYSA-N 293.798 3.758 30 20 CHED CC[C@@H](C)[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N 78834668 QQMHFPGOQZBVKW-RKDXNWHRSA-N 271.286 3.819 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1cnn(Cc2ccccc2)c1 347255855 VIVYFHMHKJUHOM-HNNXBMFYSA-N 296.418 3.522 30 20 CHED Cc1ccc(C#N)cc1OCc1csc(C2CC2)n1 340047664 RFEGQMHXEJJKFW-UHFFFAOYSA-N 270.357 3.780 30 20 CHED CCC[C@H](NCCc1cccc(C#N)c1)C1CCC1 453230378 XFQGROLIENYTMN-KRWDZBQOSA-N 256.393 3.659 30 20 CHED C#Cc1cccc(NCc2ccc(C(C)(C)O)cc2)c1 380440424 DARWBDIOMGOQNN-UHFFFAOYSA-N 265.356 3.507 30 20 CHED C=C(CNCc1ccc(C)c(F)c1)c1ccccc1 596656843 XLQTYXNGZFUMDR-UHFFFAOYSA-N 255.336 3.937 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)[C@H]1CCC[C@@H](C)C1 457001878 MNSXANIMDJADIS-ILXRZTDVSA-N 276.424 3.791 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)C2CCCCC2)cc1 6007976 FDUGZYXEZMBHBC-XFXZXTDPSA-N 272.344 3.636 30 20 CHED O=C1/C(=C\c2ccc(Cl)s2)Cc2c(O)cccc21 14181088 AAXXBMHKIVKUPH-VURMDHGXSA-N 276.744 3.930 30 20 CHED CC(=O)Nc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1 19917180 RFBZLRHVBNUOFP-LBPRGKRZSA-N 279.343 3.690 30 20 CHED N#Cc1ccc(Cl)cc1NCc1cccc(F)c1 36954249 BCCPNAUTKZXUAV-UHFFFAOYSA-N 260.699 3.963 30 20 CHED COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 36991902 IUJIAHWLPOAMPE-ZIAGYGMSSA-N 280.371 3.979 30 20 CHED C#Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 41636786 BRMWIACPYLHXBX-UHFFFAOYSA-N 279.383 3.823 30 20 CHED N#Cc1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1 43330044 RQOKOSPLUOUOFI-UHFFFAOYSA-N 299.761 3.576 30 20 CHED Cc1ccc(CN(C)c2snc(Cl)c2C#N)cc1 47405240 ZCALUAIQYLZPJU-UHFFFAOYSA-N 277.780 3.613 30 20 CHED COc1ccc(CCNc2cccc(Cl)c2C#N)cc1 48935430 PGJWRVDRNQBOLT-UHFFFAOYSA-N 286.762 3.875 30 20 CHED CCOc1ccccc1CNc1ccc(F)c(C#N)c1 51634963 IRPIZKCFFIODOT-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CCC[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 52028969 OCUBIMIZIZUARJ-CQSZACIVSA-N 284.384 3.891 30 20 CHED CCc1nc2cc(NC(=O)c3sccc3C#N)ccc2o1 52036131 FPTRDQWCCNTWJL-UHFFFAOYSA-N 297.339 3.576 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)C1CCCCC1 52333498 BOFIRFOOJHYHDL-AWEZNQCLSA-N 272.392 3.647 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)CCC 55891304 HXKYHRGDMBFRTL-CQSZACIVSA-N 275.392 3.646 30 20 CHED Cc1ccccc1NC(=O)CSCc1ccc(C#N)cc1 58235918 MQBDRRJOYHJTTM-UHFFFAOYSA-N 296.395 3.739 30 20 CHED CN(Cc1ccccc1F)c1cc(Cl)ccc1C#N 62789953 KIWBDSFMASQDIO-UHFFFAOYSA-N 274.726 3.987 30 20 CHED CCCCC1CCC(C(=O)N(C)[C@H](C)CC#N)CC1 63093972 LDBWNIQGUNUXEN-WLYUNCDWSA-N 264.413 3.744 30 20 CHED N#C[C@@H](C(=O)c1ccc(Cl)o1)c1nc2ccccc2o1 73977126 FJGPMGXDQVXRRJ-QMMMGPOBSA-N 286.674 3.564 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(F)ccc1NC(C)C 74255446 VBYJLKMAKBFYKE-GFCCVEGCSA-N 294.370 3.566 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(CCCSCC#N)C1 74991201 WUIOOBWLIHJYIA-HOTGVXAUSA-N 288.460 3.820 30 20 CHED COc1cccc(CCCNc2ccc(C#N)cc2)c1 76287108 LOTDUNNXIMNZDN-UHFFFAOYSA-N 266.344 3.612 30 20 CHED C[C@@H](CCc1ccccc1F)C(=O)[C@H](C#N)c1ccccn1 76825612 KSBZVQJTJSGHQF-DZGCQCFKSA-N 296.345 3.666 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1F 79546061 HMTSHAINFKDZKR-MRVPVSSYSA-N 275.245 3.539 30 20 CHED C#CC[C@@H](C)OC(=O)c1ccccc1C(=O)c1cccs1 83790135 QGMUJPFUZCMHSF-GFCCVEGCSA-N 298.363 3.548 30 20 CHED CCCn1ccc2cc(NC(=O)N(C)[C@@H](C)CC#N)ccc21 86292451 AALRGVJUTDSNIM-ZDUSSCGKSA-N 298.390 3.817 30 20 CHED COCc1ccc(CNc2ccc(CC#N)cc2)cc1 88567544 UTDZNMBUSQTNRK-UHFFFAOYSA-N 266.344 3.511 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2ccc(F)cc2)cc1 89784774 IOOANHZOWWTJMV-LBPRGKRZSA-N 270.307 3.729 30 20 CHED C=CCC[C@@H](CC)NCCc1nc2cc(F)ccc2n1C 90044023 BFAQEPRBSZBAHL-CQSZACIVSA-N 289.398 3.589 30 20 CHED C=CCOc1ccc(CN(CC(F)F)C(C)C)cc1OC 92045252 HZCIVROEELVSNW-UHFFFAOYSA-N 299.361 3.736 30 20 CHED CC(C)(C#N)c1ccc(Nc2nc(C3CC3)ns2)cc1 92606033 JORNFQKPUXWZHQ-UHFFFAOYSA-N 284.388 3.960 30 20 CHED Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)c(F)c1 94195729 DVLABHAZZGFCGL-UHFFFAOYSA-N 288.347 3.936 30 20 CHED C=CCCC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 102236695 IPQAYCVLTJKJAN-UHFFFAOYSA-N 295.386 3.791 30 20 CHED C=CCCC(=O)N[C@@H](CC)c1nc(-c2ccccc2)c[nH]1 102338646 DJLICICWCSRJOJ-AWEZNQCLSA-N 283.375 3.610 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccccn1 105549325 LXRBVWZQZWNZPT-OAHLLOKOSA-N 285.730 3.656 30 20 CHED CCc1nc([C@H](C)/N=C/c2ccccc2O)cs1 110129745 JUMJQLCVYKFEAW-CYANDVJASA-N 260.362 3.591 30 20 CHED C=CCCC(=O)NCC(C)(C)c1ccc(F)cc1Cl 112841330 ULWPGNPBBUKNIE-UHFFFAOYSA-N 283.774 3.839 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H]2CCc3ccccc32)c1 115215136 LFWPVBYRGKGXON-KRWDZBQOSA-N 289.378 3.751 30 20 CHED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccccc1 125165164 UXTMSFRBDKIUFZ-KRWDZBQOSA-N 295.338 3.567 30 20 CHED CC(C)Oc1ccc(NC(=O)C2=CCCCC2)cc1C#N 131559852 IZHKSTBXKVTHJN-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C=CCC[C@H](N[C@H](C)Cn1cccn1)c1ccccc1 138899531 FRSACZMDJIBXQG-WBVHZDCISA-N 269.392 3.569 30 20 CHED CC(C)(C)c1nc(CCNCc2cccc(C#N)c2)cs1 153677116 ZFAUVFBENATPKB-UHFFFAOYSA-N 299.443 3.645 30 20 CHED Cc1ccc(Cl)cc1OC[C@@H](O)c1ccc(C#N)cc1 154078082 GLDOQETWSWDFRI-OAHLLOKOSA-N 287.746 3.633 30 20 CHED C=CCN(C(=O)c1ccc(N(C)C)cc1F)c1ccccc1 154570787 SHKKNWZGTLSZOJ-UHFFFAOYSA-N 298.361 3.725 30 20 CHED CCN(C(=O)C[C@@H]1C=CCC1)c1ccc(C#N)c(Cl)c1 156542554 VKAKADPVCPRURV-GFCCVEGCSA-N 288.778 3.921 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCC=CO1 158330098 LGBCOGFLXNKFJR-LBPRGKRZSA-N 282.265 3.682 30 20 CHED CCC(C)(CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 158769682 ILYNWWHCNLNHKS-LBPRGKRZSA-N 258.365 3.562 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)CCc2ccc(C#N)cc2)C1 171516471 FWEVORZIVFBFAL-ZWKOTPCHSA-N 298.430 3.822 30 20 CHED CCN(C(=O)CCc1ccccc1)c1ccc(C#N)cc1 174072596 ZDVRSDIHPHLUEA-UHFFFAOYSA-N 278.355 3.544 30 20 CHED C[C@@H](O/N=C(\N)C1CCCC1)c1ncc(C(C)(C)C)o1 177068458 NZZBRZORJUENPW-SNVBAGLBSA-N 279.384 3.512 30 20 CHED C#CCCCNC(=O)Nc1cccc(CCC(F)(F)F)c1 177757264 UHLHDWMMPNIFKH-UHFFFAOYSA-N 298.308 3.716 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(Cl)cc1 177864288 NTLMCLLIMDHDSQ-UHFFFAOYSA-N 255.770 3.588 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(F)c(F)c1F 178406466 CKDKKBZLVBMSLO-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CCCCCCNC(=O)Nc1ccccc1O[C@H](C)C#N 180026582 LCYKNRCYBLRKGJ-CYBMUJFWSA-N 289.379 3.679 30 20 CHED CO[C@@H](CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 181551973 XYNOIUCIHOVCCL-KDOFPFPSSA-N 280.371 3.597 30 20 CHED COc1cc(C)cc(CN[C@H](C)c2cccc(C#N)c2)c1 182058925 DUPITQICJCQVOG-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2nc(C)ccc2o1 182652710 JEDSOMKTNRPRRL-LLVKDONJSA-N 272.348 3.611 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2ccccc2Cl)C1 185803791 IPNIMXVWPCYTSG-OCCSQVGLSA-N 262.784 3.554 30 20 CHED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1-n1cccn1 185859829 SQASEUNZOXQMBY-JYJNAYRXSA-N 294.402 3.605 30 20 CHED CCCc1cnc(NCc2ccc(C#N)cc2)s1 185976225 WQGYOBOYMVQASN-UHFFFAOYSA-N 257.362 3.579 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC1 188124835 ILHLJNWBWKJQPV-KDYLLFBJSA-N 284.403 3.733 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](C)c2ccccc21 188241280 OIAKQWMKHGEZHY-KDOFPFPSSA-N 287.403 3.756 30 20 CHED C=CCC[C@H](C)Nc1ccc(Cc2nnc3n2CCC3)cc1 188586827 LQDYCBYQCLQVBS-AWEZNQCLSA-N 296.418 3.582 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OC)cc1OCCC 189963129 HRKIMGNJGBQMHO-UHFFFAOYSA-N 291.391 3.522 30 20 CHED COc1cccc(CS[C@@H](C)c2cccc(C#N)c2)n1 190822073 ZCUGMYGQMSIPDV-LBPRGKRZSA-N 284.384 3.956 30 20 CHED C=CCC1(C(=O)Nc2ccccc2OCC)CCC1 191836943 URSYEUYQDTXBQL-UHFFFAOYSA-N 259.349 3.770 30 20 CHED C=CCC1(C(=O)Nc2cccc(C(F)(F)F)n2)CCC1 191889263 BLEWYLGQRGIMCB-UHFFFAOYSA-N 284.281 3.785 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1cc(C#N)cs1 193476930 ZTLVZDZNAPRBDJ-LLVKDONJSA-N 276.405 3.708 30 20 CHED CC(=O)c1ccc(C)cc1OCCOc1cccc(C#N)c1 193731650 FXKWNUBLMRPFIM-UHFFFAOYSA-N 295.338 3.527 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1cc(Cl)cs1 195337174 GZIXFYSRXXKZJJ-SNAWJCMRSA-N 280.780 3.648 30 20 CHED COc1cccc(/C=C/C(=O)c2ccccc2)c1F 195501803 MAFIBCXCHYNKDU-ZHACJKMWSA-N 256.276 3.730 30 20 CHED Cc1cccc(/C=C2/CCc3cc(O)ccc3C2=O)c1 207933609 IULMFLYJXQYOEQ-GDNBJRDFSA-N 264.324 3.913 30 20 CHED C#CCCCCNc1ccc(Br)cc1C#N 228557865 QQFLPIPLHUHHGX-UHFFFAOYSA-N 277.165 3.536 30 20 CHED CC1=CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 230812183 OHIUKPIHIGKVNE-UHFFFAOYSA-N 266.266 3.733 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCO1 231718809 CRJSKABNUUMOMR-CABZTGNLSA-N 284.281 3.556 30 20 CHED C=CCCCCCN1CCCc2c(C(=O)O)cccc21 236472472 ROUYWTCWXSNXGO-UHFFFAOYSA-N 273.376 3.884 30 20 CHED Cc1cc(C)cc(CSc2nc(C)nc(C)c2C#N)c1 248004370 DAHLMVBNTYYVPI-UHFFFAOYSA-N 283.400 3.874 30 20 CHED C[C@H](C[C@@H]1CCCCCN1)N[C@H](C)c1ccc(C#N)cc1 251268167 XCXIKWQMLZFANS-RKVPGOIHSA-N 285.435 3.520 30 20 CHED Cc1cn2c(/C=C\C(=O)c3ccsc3)c(C)nc2s1 254915174 WSWQSAUBFBKMRA-ARJAWSKDSA-N 288.397 3.970 30 20 CHED O=C(/C=C\c1ccccc1OC(F)(F)F)c1ccncc1 255624546 PIVHQMFHWDSMTR-WAYWQWQTSA-N 293.244 3.876 30 20 CHED C=CCCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 263724410 YTMVSCFGNYTXLW-UHFFFAOYSA-N 273.332 3.633 30 20 CHED CC(C)c1ccccc1NC(=O)[C@@H](C)ON=C1CCC1 265469844 PBIPOLGZLXPSDR-GFCCVEGCSA-N 274.364 3.694 30 20 CHED Cc1cc(NCCCCC#N)c2cc(F)ccc2n1 268818143 OFMHZVGBSPEYNE-UHFFFAOYSA-N 257.312 3.788 30 20 CHED CC1(C)CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 269157646 SSEHFWNSZPQVSV-UHFFFAOYSA-N 291.782 3.866 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(Cl)ccc1F)OCC 270026690 CMBOLNKFHMDTPQ-ZDUSSCGKSA-N 285.746 3.789 30 20 CHED C#CC[C@@H](NC(=O)N(C)[C@H](C)CCC)c1ccccc1 270361617 RNBLSFSRICBTPU-GDBMZVCRSA-N 272.392 3.581 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 274577075 MVLHRRIPBJAMHF-AWEZNQCLSA-N 290.407 3.754 30 20 CHED N#Cc1cnc(SCCC(F)(F)F)c(Cl)c1 280264508 OGBNSULTJXNDDO-UHFFFAOYSA-N 266.675 3.651 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC1(C)CC1 280363455 LMAQNKOJQJQSLX-UHFFFAOYSA-N 299.418 3.670 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N(CC)CCC#N 280778819 PEDRQHIGLVTNBU-UHFFFAOYSA-N 287.407 3.887 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC=C(c2cccc(C)c2)CC1 285494997 AGGFHFULAJYVEN-GOSISDBHSA-N 282.387 3.551 30 20 CHED N#CCc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 289536965 PAHMUMRBTFGOPJ-INIZCTEOSA-N 295.386 3.549 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(F)ccc2Cl)C1 293836531 XKVLPAZGEUNOIS-MEBBXXQBSA-N 294.757 3.681 30 20 CHED COc1cc(C#N)ccc1OC(=O)O[C@@H](C)CC(C)C 294495282 SJXXDGGGEGEHPQ-NSHDSACASA-N 277.320 3.517 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 294734744 XQHPYDRZWAAPRL-SFHVURJKSA-N 283.415 3.759 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1cccc(C2CC2)c1 295689475 ZJRGAAVAQHVYSZ-CQSZACIVSA-N 287.403 3.724 30 20 CHED C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[C@H]2CC[C@H]1C2 300136968 PHNZUHWFYXXMLS-XFWSIPNHSA-N 281.812 3.905 30 20 CHED N#Cc1ccc2nc(NCCc3ccccc3F)ccc2c1 301839139 ZKXGVVZPOTYAMH-UHFFFAOYSA-N 291.329 3.900 30 20 CHED Cc1cc(C)c(CNc2c(C#N)cccc2C#N)c(C)c1 302890694 PJPMVVNOWRQGII-UHFFFAOYSA-N 275.355 3.967 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](CCC(C)C)C(C)(C)C 303637612 QCENOBISFMLCDL-HUUCEWRRSA-N 283.456 3.935 30 20 CHED Cc1ccc(OC[C@@H](O)c2ccc(C#N)cc2)c(Cl)c1 305331857 QHDXZGJGMOTEHZ-OAHLLOKOSA-N 287.746 3.633 30 20 CHED C#C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(C)C 310574892 IVKDXEDYRNZTNL-LLVKDONJSA-N 285.174 3.773 30 20 CHED C[C@H](/N=C(/O)[C@H]1CCSc2ccccc21)c1cn[nH]c1 328792682 AJNLFOUYFBYDLA-GWCFXTLKSA-N 287.388 3.707 30 20 CHED O/C(=N/CC[C@H]1CCCCO1)c1coc2cc(F)ccc12 330021479 XWYDRBHGLGUEPX-GFCCVEGCSA-N 291.322 3.836 30 20 CHED CCC[C@](C)(O)C/N=C(/O)c1coc(C2CCCCC2)n1 330441503 QTLYZMXUCUJHIT-INIZCTEOSA-N 294.395 3.578 30 20 CHED CC(C)[C@H]1CCCCN1/C(O)=N/CCc1cccc(C#N)c1 330962675 YZNMZDVXTDUQJB-QGZVFWFLSA-N 299.418 3.525 30 20 CHED CO[C@H](C)C/N=C(/O)Nc1ncc(C2CCCCC2)s1 331283023 JVAADKZTSFBNDY-SNVBAGLBSA-N 297.424 3.552 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 332129342 GNYNOWKRLGDHEZ-CQSZACIVSA-N 297.402 3.597 30 20 CHED Cc1sccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 335075668 IFCVKEIRWDTDLD-LLVKDONJSA-N 284.384 3.761 30 20 CHED N#CCC1CCN(c2nccc3ccc(F)cc23)CC1 336357324 LGKZVCODQJNDPS-UHFFFAOYSA-N 269.323 3.504 30 20 CHED C[C@@H]1CN(CCCC2(C#N)CCOCC2)c2ccccc21 337133932 LHCOBVXOGPFTJN-OAHLLOKOSA-N 284.403 3.711 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1CCCC(F)(F)C1 337254254 MEVMSASURZZGAS-GFCCVEGCSA-N 258.356 3.731 30 20 CHED Cc1cc([C@H](C)NCCc2cccc(C#N)c2)oc1C 337489436 VEWCWRMUXKTYDE-ZDUSSCGKSA-N 268.360 3.661 30 20 CHED C=CCN(C(=O)C[C@@H](OCC)C(=C)C)c1ccccc1 339607302 RNJINQMSRVGZCH-MRXNPFEDSA-N 273.376 3.577 30 20 CHED CN1CCCN(Cc2cccc(C#N)c2F)c2ccccc21 340819277 OSRXLZFTUQMGIE-UHFFFAOYSA-N 295.361 3.544 30 20 CHED C=CCCN(C)C(=O)c1cnc(-c2ccsc2)s1 342017328 LIEFVSSHVNMORS-UHFFFAOYSA-N 278.402 3.520 30 20 CHED CCCN(CCCSCC#N)[C@@H]1C[C@@H](OCC)C1(C)C 342145642 KZMXUJKIECZBPQ-HUUCEWRRSA-N 298.496 3.549 30 20 CHED C=CCC[C@@H](NC(=O)c1cncs1)c1ccccc1 343212461 OIUAXJDMFDKKLF-CYBMUJFWSA-N 272.373 3.580 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(OC2CCCCC2)CC1 344055156 VJJWCRAJLMJYHI-SFHVURJKSA-N 293.451 3.929 30 20 CHED COc1ccc(C(C)=O)cc1OCc1ccc(CC#N)cc1 352326724 MSQZVPRVIVNRMC-UHFFFAOYSA-N 295.338 3.543 30 20 CHED C=CCC1(C(=O)NCc2coc3ccccc23)CCC1 352400603 RHQWXHVJIMVBEE-UHFFFAOYSA-N 269.344 3.795 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(F)cc(F)c1 353421930 LSMLHLFSRMFKDA-UHFFFAOYSA-N 266.335 3.727 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccc(OC)cc2)CC1 354321681 ZAAVHQJSNDWCFC-ZDUSSCGKSA-N 273.376 3.619 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCCc3ccc(F)cc32)C1 355476554 UISDPBRLRHYIIJ-ISTRZQFTSA-N 272.367 3.875 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(F)ccc1C 355515107 RGIKCBXNNSTKSU-UHFFFAOYSA-N 283.346 3.963 30 20 CHED CSc1ccccc1CSc1cc(C#N)ccn1 358269420 ZBXSNYLPRYAPHB-UHFFFAOYSA-N 272.398 3.967 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1ccccc1C(F)(F)F 360026239 UZQLHSHICQXKOX-SNVBAGLBSA-N 284.281 3.576 30 20 CHED C=C(C)COCCNC(=O)Nc1ccc(C2CC2)c(C)c1 360834530 IUZJXGYJMVEOFW-UHFFFAOYSA-N 288.391 3.587 30 20 CHED C=CC[C@@H]1N(Cc2cn(C)nc2C(F)F)CCCC1(C)C 361136701 QTKRSILOYBHADM-ZDUSSCGKSA-N 297.393 3.924 30 20 CHED C=CCN1CCC[C@@H]1c1nc2ccccc2n1C(C)C 361444221 JPYZCNZQKYGJON-MRXNPFEDSA-N 269.392 3.940 30 20 CHED CCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccc(F)cc1 361550076 DBMHIVRIJJOVGY-ZDUSSCGKSA-N 285.366 3.619 30 20 CHED CSc1cc(C)ccc1CNC(=O)c1cccc(C#N)c1 362578087 QTPOEVFSVYLUJT-UHFFFAOYSA-N 296.395 3.519 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1ncc[nH]1 375001848 DUZYZJWRJQQKRW-INIZCTEOSA-N 294.402 3.548 30 20 CHED C#C[C@@H](CC)NC[C@@H](C)c1cccc(Br)c1 381555722 OSZPZZHQOZLSIK-RISCZKNCSA-N 280.209 3.554 30 20 CHED CSC[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 386731512 AUZUBEAFQSUVOB-LLVKDONJSA-N 280.824 3.791 30 20 CHED CC(C)Oc1ccccc1CNCc1ccc(C#N)c(F)c1 404846387 ORSIQNCTFRLPPS-UHFFFAOYSA-N 298.361 3.774 30 20 CHED N#CC1(NC(=O)c2cc3c(s2)CCCCCC3)CCC1 408013953 ZLKLXSVZQZRPAB-UHFFFAOYSA-N 288.416 3.583 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC1CCOCC1 409447418 QAHLZBTZKRNWED-OALUTQOASA-N 298.430 3.575 30 20 CHED C[C@@H](CCCc1cccnc1)Nc1ccc(C#N)cc1F 413395989 OLBIBJYWZUAROC-ZDUSSCGKSA-N 283.350 3.916 30 20 CHED C=CCC[C@H](CC)N[C@H](CCC(C)(C)C)C(=O)O 414657416 LRWUUTPRYOOYJD-QWHCGFSZSA-N 255.402 3.600 30 20 CHED C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@H](C)[C@@H]1C 416109650 ITKKFEQZGTVXKH-RBSFLKMASA-N 298.430 3.630 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416114293 YISUBZDFFDLSTH-XUWXXGDYSA-N 296.414 3.878 30 20 CHED CC[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@@H]1CC1(C)C 416718644 DPSJCRXNCLOPFP-JKSUJKDBSA-N 299.418 3.524 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CC12CC2 416721233 GGAGHPGZBZIQHX-MRXNPFEDSA-N 284.403 3.574 30 20 CHED N#CC1(CNC(=O)Nc2ccccc2C(F)(F)F)CCC1 416737729 UGCGWNKIWCDXPR-UHFFFAOYSA-N 297.280 3.521 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1sccc1Cl 417185964 DYCABBLOJMISKN-QGZVFWFLSA-N 289.853 3.980 30 20 CHED C=C[C@H](CCC(=O)O)NCc1c(Cl)oc2ccccc12 417621743 FWIWABAIXZZFQF-SNVBAGLBSA-N 293.750 3.595 30 20 CHED C=CCOc1ccc(OCc2nnc(C(C)C)s2)cc1 418886675 LKZJZIRCTRFFRR-UHFFFAOYSA-N 290.388 3.805 30 20 CHED C=CCOCCSCc1ccc(OC(F)F)cc1 419398613 IAEQTUXFADUMOH-UHFFFAOYSA-N 274.332 3.724 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](C2CCCC2)C1 420841290 UZKCQEWKUHPZKM-HNNXBMFYSA-N 264.413 3.564 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)F)cc1 424121380 HZZRQXAAHRWNIG-NTZNESFSSA-N 280.318 3.631 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 424778440 FHKICRYAAPCNLC-CQSZACIVSA-N 291.366 3.758 30 20 CHED CS[C@@H](C)CCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425123674 DSVLAWIJTCCOFA-STQMWFEESA-N 290.432 3.609 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC[C@H]1CCSC1 426145175 YQWCBANPUMAVRZ-CYBMUJFWSA-N 276.405 3.510 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1ccc(F)cc1F 435662304 CTPBTRZVWJBSPW-DQYPLSBCSA-N 295.373 3.987 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)ccc1C 435665695 QXYBDSCAICUXLO-JZXOWHBKSA-N 273.420 3.935 30 20 CHED C[C@@H]1CC[C@@H](NCc2cccc(OCCCC#N)c2)C1 436410909 MYWXBHYKYMFCFS-GDBMZVCRSA-N 272.392 3.647 30 20 CHED C=C[C@H](CC(=O)NCc1cc(CC)ccn1)c1ccccc1 437737900 QMALNVKFACJGGU-MRXNPFEDSA-N 294.398 3.620 30 20 CHED CC[C@@H](F)CSc1nc2c(cc1C#N)CCCC2 440577039 RUAPZKUAZCCFTK-GFCCVEGCSA-N 264.369 3.672 30 20 CHED C[C@@H](CCC(=O)NCC#Cc1ccccc1)c1ccccc1 441322485 JZDVLTJDGTVHRF-KRWDZBQOSA-N 291.394 3.738 30 20 CHED CCN(CCCCC(C)(C)C#N)c1cccc(O)c1 444700047 FTJGNRSPACYRKN-UHFFFAOYSA-N 260.381 3.939 30 20 CHED CC1(C)CCCN(Cc2cc(F)ccc2Cl)[C@H]1C#N 444733120 QMEYIQZETKCKDG-AWEZNQCLSA-N 280.774 3.993 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1c[nH]nc1-c1nccs1 447092310 APCOXRPOADDBSP-NXEZZACHSA-N 262.382 3.546 30 20 CHED C=CCCC(=O)N[C@@H]1CCCC[C@H]1Oc1ccccc1C 448194078 QONNRSATHRDVEN-NVXWUHKLSA-N 287.403 3.767 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 448660310 ZYBCUQXVLKTECG-SJLPKXTDSA-N 296.414 3.876 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)NCC1CCC(c2ccccc2)CC1 448935590 AOGLKJZQLXSRNX-QCNKBUPASA-N 296.414 3.626 30 20 CHED C=CCC[C@H](CO)N[C@H](C)[C@@H](C)c1ccc(Cl)cc1 449697959 MLEBOJZRNNIUOM-XJKCOSOUSA-N 281.827 3.749 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCOc3ccccc32)CCCC1 449853434 VQBHFAMADXSUJI-OAHLLOKOSA-N 299.414 3.805 30 20 CHED C=CCC1(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)CCCC1 450154548 ANSRBEUYIHVBDI-RCCFBDPRSA-N 295.426 3.825 30 20 CHED N#Cc1cnc(NC[C@H]2CCCCC2(F)F)c(Cl)c1 450583490 MGZNXYHSCXCGKG-SNVBAGLBSA-N 285.725 3.844 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CCCCC1 450636720 OFCOQLSYNBZWAN-HOTGVXAUSA-N 291.435 3.587 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)Cc2ccco2)cc1C#N 452652260 AVSYQBPSTHDZTQ-UHFFFAOYSA-N 298.342 3.510 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)c(F)c1 453376462 IHOJBAMICIUHSM-ACJLOTCBSA-N 298.361 3.563 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@@H]1CCCCC1(F)F 454992400 DXFVVOGDZCRHJL-LBPRGKRZSA-N 288.382 3.713 30 20 CHED CC(C)(C)CNC(=O)Nc1ccc(CC#N)cc1Cl 455708477 UJOKLSJQIOAPHW-UHFFFAOYSA-N 279.771 3.574 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)CCc1ccc(C#N)cc1 457235896 BNVZMLDMIRJGMR-RDTXWAMCSA-N 284.403 3.576 30 20 CHED CC(C)(CC#N)CNCc1cccc(OC(F)(F)F)c1 459706984 ZLAGIEFZUSQOML-UHFFFAOYSA-N 286.297 3.615 30 20 CHED C=CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1ccccc1 459934190 SLIJMZLQTJDMFJ-YCPHGPKFSA-N 255.361 3.642 30 20 CHED CC#CCCN1CCC(=Cc2ccccc2F)CC1 462321182 LZORSUPIHKTHSS-UHFFFAOYSA-N 257.352 3.718 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(-n2cccn2)cc1 467413747 OPKVRUCJUIENMT-HOCLYGCPSA-N 269.392 3.878 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(C)sn1 469409765 IWRBCVMXLBMMAN-UHFFFAOYSA-N 278.421 3.660 30 20 CHED C=CCCCCN[C@H](c1cccc(F)c1)c1cnn(C)c1 471591058 QLPVSYSVHJBWHT-QGZVFWFLSA-N 287.382 3.595 30 20 CHED C=C1CCN(C(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 472025359 ODUORQGSSRHVRH-HNNXBMFYSA-N 295.382 3.786 30 20 CHED C=CCCC1(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 476161019 SZOQMRJMKFWJEO-OAHLLOKOSA-N 287.403 3.625 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)CCCC1CCCCC1 484907953 JBHOJXHUPWOAQL-MRXNPFEDSA-N 262.397 3.545 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)c1cc(C#N)cs1 487286765 ZTLVZDZNAPRBDJ-NSHDSACASA-N 276.405 3.708 30 20 CHED C=C[C@H](C)NC(=O)Nc1cnn(CCC(C)C)c1C(C)C 487657665 QCZGDDBYTJYEQD-ZDUSSCGKSA-N 292.427 3.749 30 20 CHED N#Cc1cc(F)ccc1CN1CCC[C@H]1Cc1ccccc1 489564287 FWXCOXMPXKLYBR-IBGZPJMESA-N 294.373 3.904 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](C)c1ccon1)c1ccccc1 490157378 HIDFJEDGKDJFFQ-DZGCQCFKSA-N 284.359 3.602 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(C)ccc1OC 491396994 MZBKCNOOBFTUEZ-UHFFFAOYSA-N 285.387 3.827 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N(C)CC(C)(C)C#N 497340532 RPVKGAJWASSJEF-CQSZACIVSA-N 290.432 3.565 30 20 CHED N#CC1(CN(CCc2ccc(F)cc2)C2CCCC2)CC1 501527738 LTWFOEFKQWVWQB-UHFFFAOYSA-N 286.394 3.917 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccccc2C#N)n1 508633529 SVRBHWYZLXXPKC-NTMALXAHSA-N 265.316 3.620 30 20 CHED Cc1cc(F)ccc1-c1ccc(CN(C)C[C@H](C)C#N)o1 509812664 DECDFBVLHTWWAM-GFCCVEGCSA-N 286.350 3.986 30 20 CHED C=C(CNC(=O)N1CCCC[C@H]1CC)c1ccccc1 512662733 ZWUYTHVAZGOAEY-MRXNPFEDSA-N 272.392 3.674 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C 514446985 TWZBVXCOPYYDAZ-RDJZCZTQSA-N 286.419 3.963 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(CC(F)(F)F)cs1 516507445 YRCMFWOPRXQYGY-NSHDSACASA-N 292.326 3.789 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 517148543 JWZADHZAEYVSCW-WMLDXEAASA-N 282.387 3.872 30 20 CHED N#CCCCN[C@@H]1CCC[C@H](c2ccccc2)CC1 527690099 FOPHEMBTGGNCHN-DLBZAZTESA-N 256.393 3.996 30 20 CHED C=CCC(C)(C)c1noc(Cc2cc(C)c(Cl)cn2)n1 528201903 GVUCFEKKARVUBZ-UHFFFAOYSA-N 291.782 3.871 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](c1ccco1)N(CC)CC 531706696 WKWFRPJQXAJTEV-ARFHVFGLSA-N 278.440 3.853 30 20 CHED CCC(CC)[C@H](C)C(=O)N(CCC#N)CC(C)(C)C 535616563 LXQFNPYSEGJMEG-ZDUSSCGKSA-N 266.429 3.847 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 538302077 VVGLZBHCJSRFJN-OWCLPIDISA-N 281.440 3.690 30 20 CHED C=CCCCCCN(C)Cc1cn(C)nc1C(C)(C)C 539406478 VZYGUHNORLZQBU-UHFFFAOYSA-N 277.456 3.896 30 20 CHED C=CC[C@H](CO)CN[C@H](C)CCC1CCCCC1 540397105 IFTZRRXGSLDMKR-ZBFHGGJFSA-N 253.430 3.510 30 20 CHED C[C@H](NCc1ccc(F)cc1F)c1ccc(C#N)c(F)c1 540710068 WDFMEGWZZNDPSP-JTQLQIEISA-N 290.288 3.826 30 20 CHED Cc1cc(Cn2nc(C#N)c3ccccc32)c2ccccc2n1 541407598 TYRHQWNDKZNYRJ-UHFFFAOYSA-N 298.349 3.813 30 20 CHED C[C@@H](Cn1nc(C#N)c2ccccc21)c1ccccc1 542337491 MYRCMVZVEFAUSJ-ZDUSSCGKSA-N 261.328 3.712 30 20 CHED N#CCC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 542854904 XQPVHJFUFZREER-UHFFFAOYSA-N 298.308 3.711 30 20 CHED C=CCNC(=O)c1cccc(-c2noc([C@@H](C)CCC)n2)c1 544367338 DYJSGARUSCQFFH-LBPRGKRZSA-N 299.374 3.556 30 20 CHED C=CCCSCc1nnc(-c2ccc(Cl)cc2)n1C 546726703 UNTOWJUPTFPWBM-UHFFFAOYSA-N 293.823 3.945 30 20 CHED C=CCCN1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 548731651 YGCWLSDZNMKQAM-SWLSCSKDSA-N 265.784 3.678 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(CC)CC1 549601628 QFSVDUPPIBFASL-CQSZACIVSA-N 290.455 3.994 30 20 CHED C=CCC(C)(C)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 551240236 GNDPWDFPWZRISN-KFWWJZLASA-N 263.425 3.526 30 20 CHED C=CCCNC1(Cc2ccc(F)cc2Cl)CCOCC1 555696872 FYNQVIHORALPPM-UHFFFAOYSA-N 297.801 3.737 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(C#N)cn2)o1 562442400 RIVPIMBYXSXQBO-DYVFJYSZSA-N 295.386 3.828 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)N1CCC(CCC#N)CC1 564897206 LXQPEXMDPKWFPO-UHFFFAOYSA-N 293.455 3.784 30 20 CHED COc1cc([C@@H](C)NCCc2cccc(C#N)c2)ccc1F 567280895 ZMTCOJSBRRZOEP-CYBMUJFWSA-N 298.361 3.599 30 20 CHED C=CCCNc1cccc(Cl)c1OCC(F)F 572745473 VMSKJZNHJVWRRI-UHFFFAOYSA-N 261.699 3.972 30 20 CHED C[C@H]1C[C@H](CCNc2ccc(C#N)cc2F)C[C@@H](C)O1 578028799 CHDVPOOMZJNNLP-CLLJXQQHSA-N 276.355 3.703 30 20 CHED CC(C)(C)c1cccc(C(=O)N(CC#N)C2CCCC2)c1 579370011 UYFGKJNXVCHFOV-UHFFFAOYSA-N 284.403 3.892 30 20 CHED N#Cc1cc(C(=O)N2CCC=Cc3ccccc32)ccc1F 579454500 IAAZGWNGNCGLHM-UHFFFAOYSA-N 292.313 3.761 30 20 CHED C[C@@H](S[C@H](C#N)c1ccccc1)C(=O)OC(C)(C)C 581677935 UERVPSKFYGRWJM-DGCLKSJQSA-N 277.389 3.715 30 20 CHED Cc1cc(NC(=O)C2(C#N)CC(C)C2)cc(C)c1Cl 582339646 SIQAUEPNJLRIGP-UHFFFAOYSA-N 276.767 3.835 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 585709469 GDGGZARXWVDWTI-VIFPVBQESA-N 250.729 3.586 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)CCCCCC#N 588147762 LLWGDOXBIGZRQG-HNNXBMFYSA-N 272.392 3.598 30 20 CHED Cc1ccc(/C=C2\CCc3nc(O)ccc3C2=O)cc1Cl 588596077 FFIVBXVBWARLQN-XYOKQWHBSA-N 299.757 3.962 30 20 CHED Cc1cc(C(F)(F)F)ncc1NCc1ccc(C#N)cc1 589597278 NMDWCNHEPWULMS-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(C#N)c1 589642268 KRRMOZSXMBKUKQ-KGLIPLIRSA-N 287.407 3.839 30 20 CHED CC[C@@H](C#N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 593385725 WFIQVFRYAGINFE-JTQLQIEISA-N 285.174 3.502 30 20 CHED CCc1nnc(SCc2ccc(C#N)cc2Cl)s1 594918163 SIMXAXABWOXCIR-UHFFFAOYSA-N 295.820 3.918 30 20 CHED C=CCCSCCNCc1ccc2ncccc2c1 594959892 FICWYLIAICPHME-UHFFFAOYSA-N 272.417 3.634 30 20 CHED N#CC[C@H]1CCCN(CCOc2ccc3ccccc3c2)C1 595610403 XWSIKAQVHSKQMR-MRXNPFEDSA-N 294.398 3.844 30 20 CHED C=CCC1(NCCC(C)(C)CC(=O)OCC)CCCC1 595780065 GSRLZVKBADBHMS-UHFFFAOYSA-N 281.440 3.834 30 20 CHED C[C@H]1Cc2ccccc2N1C(=O)CC1(C#N)CCCCC1 596701521 IKPYULLGEVOFFI-AWEZNQCLSA-N 282.387 3.828 30 20 CHED CCCc1ccc(CN2CCC[C@H](CC#N)C2)s1 598674196 NHWUMSUDPPNZHD-CYBMUJFWSA-N 262.422 3.826 30 20 CHED Cc1nc(S[C@H](C#N)C2CC2)[nH]c1Cc1ccccc1 601069798 KKYLTXJMGNXCHP-OAHLLOKOSA-N 283.400 3.703 30 20 CHED CC(C)N(CCC#N)Cc1ccc2ccc(F)c(F)c2n1 602448150 MKSDCBAQUVHAJO-UHFFFAOYSA-N 289.329 3.637 30 20 CHED CCOc1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1 602486379 ZJXVNVKEYQHFIL-AWEZNQCLSA-N 288.391 3.596 30 20 CHED C[C@H](CCC#N)CN1CCO[C@@H](c2cccc(Cl)c2)C1 602610081 FNDKXGYKQSCHNF-CZUORRHYSA-N 292.810 3.653 30 20 CHED C=CCCN(C)Cc1ccc(OC(F)(F)F)cc1 606896344 OHTOPJMRPFHIHD-UHFFFAOYSA-N 259.271 3.593 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CCCC1CCCCC1 608821116 NOUPOQZCWUEZNB-OAHLLOKOSA-N 264.413 3.791 30 20 CHED N#Cc1ccc(OCCNc2cc(F)ccc2Cl)cc1 609075513 OHBUQUNTYMQBSO-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 610713068 XWBLCRIDVILLLP-HOCLYGCPSA-N 274.339 3.509 30 20 CHED CC(C)(C#N)CCNC1(c2ccc(F)cc2)CCC1 611462675 OIVCUTWDQCNWQZ-UHFFFAOYSA-N 260.356 3.734 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc(C#N)cc1 611541167 DYNDSXNAQSGELE-JQWIXIFHSA-N 268.282 3.725 30 20 CHED CCc1cccc(CC)c1NC(=O)N1CCC[C@](C)(C#N)C1 612292441 YPIGYRQESNTSBW-GOSISDBHSA-N 299.418 3.969 30 20 CHED Cc1[nH]c2c(C(=O)N3CCC[C@](C)(C#N)C3)cccc2c1C 612366974 JMZHYUKBPUCTFX-GOSISDBHSA-N 295.386 3.551 30 20 CHED C[C@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)CC(C)(C)C 613365896 PYDBCDXMYVDUFT-WBMJQRKESA-N 266.429 3.893 30 20 CHED C[C@@H](NCCCCOC(C)(C)C)c1cccc(C#N)c1 616114367 URPBNHDIZVIXFQ-CQSZACIVSA-N 274.408 3.804 30 20 CHED C=CC[C@H]1CCCN(C(=O)CC(O)(CCC)CCC)C1 617782695 KSXBYYYFXXVMDY-HNNXBMFYSA-N 281.440 3.523 30 20 CHED C=C(C)CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618449835 JKTDCZSBVPJNFI-DTORHVGOSA-N 275.236 3.625 30 20 CHED C[C@]1(C#N)CCCN(CCSC2CCCCC2)C1 619720334 CMMMWAZUOLKGPL-OAHLLOKOSA-N 266.454 3.678 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnc(-c2ccccc2)nc1 620861371 NCGMFYNNYFEUGU-UHFFFAOYSA-N 295.386 3.618 30 20 CHED C=CCN(C(=O)Cc1ccccc1Cl)C(C)(C)C 622943349 ZGRNRJQXSQESMU-UHFFFAOYSA-N 265.784 3.696 30 20 CHED C=CCN(C(=O)Cc1ccccc1OC(C)C)C(C)(C)C 622943849 UEYAPBTUWSRDHM-UHFFFAOYSA-N 289.419 3.829 30 20 CHED C=CCN(C(=O)c1cc(C)n([C@@H](C)CC)n1)C(C)(C)C 622944729 CGXIRRNORHFPPK-LBPRGKRZSA-N 277.412 3.589 30 20 CHED C=CCCC(=O)N([C@H](C)COC)[C@@H]1CCc2ccccc21 629749480 MYWLBTBSECSGSF-RHSMWYFYSA-N 287.403 3.504 30 20 CHED C=CCC(CC=C)C(=O)N1CCC2(CCSCC2)CC1 633939068 JICYIGOGQVPXBZ-UHFFFAOYSA-N 293.476 3.891 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)CCc2ccco2)C1 660254647 OKJAKTWGUUEIKV-HUUCEWRRSA-N 290.407 3.598 30 20 CHED CC1(C)CN(CC#Cc2ccc(F)cc2)[C@@H]1c1cccnc1 664824695 XHHFUWDEXZDWKM-GOSISDBHSA-N 294.373 3.655 30 20 CHED C=CC[C@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1 668494094 VTJBWFGAQHWXJG-ZDUSSCGKSA-N 287.432 3.926 30 20 CHED C=CCCOCC(=O)N[C@@H](CCC)c1ccc(F)cc1F 675186536 SRKDHXBRXLSRCE-HNNXBMFYSA-N 297.345 3.515 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2C)ccc1O 728231955 OSFQZGAAKHKKJU-JXMROGBWSA-N 252.313 3.905 30 20 CHED N#Cc1ccc(-c2ccn(Cc3cc(F)ccc3F)n2)cc1 728710800 IAFQSSHTFAZMTF-UHFFFAOYSA-N 295.292 3.748 30 20 CHED Cc1cccc2c1CCC2=NNc1cccc([N+](=O)[O-])c1 729140297 AJAVKLRPBIUNSG-UHFFFAOYSA-N 281.315 3.666 30 20 CHED Cc1sc2ncnc(NN=C3CCC[C@H]3C)c2c1C 729140864 PKJQDQPRKRNUAA-MRVPVSSYSA-N 274.393 3.896 30 20 CHED CCc1nc([C@@H](C)/N=C\c2c(O)cccc2OC)cs1 731937608 KSHAPQLUAIHCQY-NUEDXCKTSA-N 290.388 3.600 30 20 CHED Cc1ccc(CN(c2ccc([N+](=O)[O-])cc2C#N)C2CC2)o1 733187843 VALZLCBZQMHRRM-UHFFFAOYSA-N 297.314 3.537 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1coc2ccccc12 733600549 RGWKPFZBUVXNKO-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CC(C)[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 733697509 IECCJKFWRHNQJR-GXSJLCMTSA-N 290.363 3.904 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc2c(c1)-c1ccccc1C2 733707921 CRXIAXKXNVWWAC-LBPRGKRZSA-N 277.323 3.717 30 20 CHED C#Cc1cccc(N(CC)C(=S)NC(C2CC2)C2CC2)c1 734761060 XHICQXVACSFELP-UHFFFAOYSA-N 298.455 3.557 30 20 CHED Oc1ccc(Br)cc1/C=N/[C@@H]1CC=CCC1 735978708 JUVAYBGCNZCJKZ-KMHUVPDISA-N 280.165 3.682 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc(C(=O)O)c1 736097303 FBBVQCQSMNIWAK-UHFFFAOYSA-N 290.363 3.595 30 20 CHED FC(F)CNN=Cc1ccc(Cl)c(C(F)(F)F)c1 740616628 PEXAPBXUWMIULP-UHFFFAOYSA-N 286.631 3.547 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2Cc3ccccc32)C(C)C)c1 741918388 CXZSQHBQOUCTFQ-IBGZPJMESA-N 289.378 3.749 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)c1ccc(C)o1)c1ccncc1 742675920 DZVWPZPWMKRBLY-HIFRSBDPSA-N 284.359 3.520 30 20 CHED C=C(C)CN(CC)Cc1cc(Br)ccc1O 743872851 BYUMDSFVVFYVRH-UHFFFAOYSA-N 284.197 3.553 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2ccc(F)cc2F)c1 745624718 MZYMOGQUUMHUMX-VXLYETTFSA-N 291.297 3.688 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2c[nH]c3ccc(F)cc23)c1 747040050 GRESCUWZPXPGSD-UHFFFAOYSA-N 298.277 3.661 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1CC1CCCCC1 747067055 XGXOGZQSYIMXHF-OAHLLOKOSA-N 280.481 3.872 30 20 CHED CCCCNN=C(C)c1ccc(SC)c(OC)c1 747610299 ATDYZDCOJUKLRJ-UHFFFAOYSA-N 266.410 3.531 30 20 CHED C=CCCCC(=O)N1CCc2ccccc2[C@H]1CC 748542421 QTRSABTYYMTADV-MRXNPFEDSA-N 257.377 3.879 30 20 CHED CCC(=NOCCOC)c1ccc(Cl)c(Cl)c1 748789455 HXGSNVAVILXUOY-UHFFFAOYSA-N 276.163 3.771 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2CCCOc3ccccc32)c1 749749043 UEQJXQJKIJNIRW-QUYZQLMHSA-N 297.354 3.734 30 20 CHED COc1ccc(NN=C[C@H](C)c2ccccc2)cc1 750922456 PVGNRJFHEVFANU-ZDUSSCGKSA-N 254.333 3.897 30 20 CHED CO[C@@H]1C[C@H](/N=C/c2c(O)ccc3ccccc23)C1(C)C 753138865 PSVOLMJWJVTBHR-XOKFLVCFSA-N 283.371 3.778 30 20 CHED C#CC(=O)N[C@@H](c1ccc([C@@H](C)CC)cc1)C(C)C 753918156 XBZZJTWIVYBHGP-SUMWQHHRSA-N 257.377 3.647 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2ccccc2C#N)cc1 755602239 USBCHVHJWNOYKE-RAXLEYEMSA-N 290.366 3.910 30 20 CHED COc1ccccc1CC(=NO[C@H]1CCCCO1)C(C)C 755824896 ZPDUHWUTBDUBLS-KRWDZBQOSA-N 291.391 3.793 30 20 CHED C=CCCN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 755981987 VRLPCYVRGCSMLT-QZTJIDSGSA-N 273.420 3.931 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1cccc(F)c1 759072823 LPVWYDGJBPTRRK-PLNGDYQASA-N 267.712 3.832 30 20 CHED C=C(Cl)CNC(=O)/C(C)=C\c1cccc(Cl)c1 759133632 HPXMKPSXEAZUSL-TWGQIWQCSA-N 270.159 3.612 30 20 CHED CCOc1ccccc1C=NNc1cc(F)cc(OC)c1 759210505 QPFKJRCVHIIVSE-UHFFFAOYSA-N 288.322 3.679 30 20 CHED Cc1sc(/C=C/c2cccc(OCC#N)c2)cc1C=O 760266402 UIFYLGQGXUYYOS-AATRIKPKSA-N 283.352 3.942 30 20 CHED C#CCCc1noc(-c2cncc(-c3ccc(C)cc3)c2)n1 761998796 HOUXONSAQPQYNC-UHFFFAOYSA-N 289.338 3.673 30 20 CHED c1cc2c3c(c1)C(=NO[C@H]1CCCCO1)C[C@H]3CCC2 763369315 FKDFCNWERSVVPP-CJNGLKHVSA-N 271.360 3.758 30 20 CHED CC(C)O[C@@H]1CC(=NNc2ccc(Cl)nc2)C1(C)C 764907772 BFEQFGFWOCTANL-GFCCVEGCSA-N 281.787 3.726 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1c(C)cccc1C 765981167 VXSFZMKGPZCCDK-AWEZNQCLSA-N 262.349 3.500 30 20 CHED C#CCCCOc1ccc(-c2noc(CCCC)n2)cc1 766289711 OTVMCUXNMPVYSC-UHFFFAOYSA-N 284.359 3.871 30 20 CHED C#CCCCN(CC=C)Cc1ccc(Cl)s1 766895826 IUNJNYMQRZHRMS-UHFFFAOYSA-N 253.798 3.803 30 20 CHED N#CC1(COC(=O)c2cc3c(s2)CCCCC3)CCC1 768078362 SEIOLHOMDVZFJK-UHFFFAOYSA-N 289.400 3.868 30 20 CHED Cc1ccc(SCCC(=O)OCC2(C#N)CCC2)cc1 768109342 HILVAJBBYUOEHP-UHFFFAOYSA-N 289.400 3.714 30 20 CHED CCCCC[C@@H](C(=O)N[C@@H](C#N)CC(C)C)C(C)C 768145158 XUBNLGODHGGDHF-HUUCEWRRSA-N 266.429 3.893 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC(C)(C)CC2)cc1 769307211 FLTKGHFMEYTBAP-CQSZACIVSA-N 272.392 3.599 30 20 CHED C=CC[C@H]1N(C(=O)/C=C\c2ccc[nH]2)CCCC1(C)C 769645376 TWLKRNWPKHUNRH-FJVVXJACSA-N 272.392 3.621 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cccnc1-c1ccc(C)s1 770798108 QDIKAXOXPNPRDY-LLVKDONJSA-N 299.399 3.604 30 20 CHED Cc1cccc2c1CC[C@H]2NCc1ccc(OCC#N)cc1 772958983 JRYVECSKXNCFKY-LJQANCHMSA-N 292.382 3.675 30 20 CHED C#CCSCCN[C@H](C)c1ccccc1SCC 773009559 BTNSYQHJNRJZQE-CYBMUJFWSA-N 279.474 3.816 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1OC 773030853 WABWIIJGBDJNCQ-QGZVFWFLSA-N 298.361 3.947 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc(F)c(Cl)c1 773078804 NTRCEPYOJFJUHM-UHFFFAOYSA-N 292.745 3.839 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1cncc(C)c1 773124691 KQWIIBKNSSQJMK-HNNXBMFYSA-N 259.397 3.672 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc2ncccc2c1 773162507 UZYBEXABINEENR-CXUHLZMHSA-N 297.317 3.599 30 20 CHED C#CCOc1ccccc1N=Cc1cc(OCC)ccc1O 773907092 TUVZEGPAMJFAEG-UHFFFAOYSA-N 295.338 3.554 30 20 CHED C[C@@H](C(=O)OCc1cccc(C#N)c1F)c1cccs1 774962958 WPTLQQRNPOIWJS-SNVBAGLBSA-N 289.331 3.606 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(Oc2ccccc2)o1 775183027 GJJYVRWIQKQRPF-CYBMUJFWSA-N 255.317 3.525 30 20 CHED C#C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 775571629 ITBXTYVYEQMAJF-CQDKDKBSSA-N 297.320 3.537 30 20 CHED C=CCCC[C@@H](C)NS(=O)(=O)/C=C/c1ccc(C)cc1 775747593 UHIIYTCUOJUIHC-RDRICISKSA-N 293.432 3.630 30 20 CHED C#CCCCCC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F 776342897 LIZJTIPCZUBNPB-HNNXBMFYSA-N 297.320 3.774 30 20 CHED C[C@H](Cc1ccco1)N[C@H](C)c1ccc(C#N)c(F)c1 776727124 AZQSAUXHFRQJGW-VXGBXAGGSA-N 272.323 3.572 30 20 CHED N#CCc1ccccc1C(=O)OCc1ccc(CF)cc1 777055556 FLHZBWVOTZHSDS-UHFFFAOYSA-N 283.302 3.579 30 20 CHED CCO[C@H]1CC(=NOCCC(F)(F)F)C12CCCC2 777455227 AVPVBZUYKKGUSS-NSHDSACASA-N 279.302 3.681 30 20 CHED CC[C@H](C)C=NNc1nc2ccc(OC)cc2cc1C 777913497 MMYZJCLFKGNPAX-NSHDSACASA-N 271.364 3.996 30 20 CHED CC(C)[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cn1 779394404 WOSFRQFZXCMXLQ-QGZVFWFLSA-N 283.350 3.579 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1cc(Cl)nc(N)n1 779788819 XTVOWOWLFSIMHO-VIFPVBQESA-N 283.807 3.572 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cccnc2)cc1 779824972 LDTZRYZMWOGKTP-UHFFFAOYSA-N 253.349 3.825 30 20 CHED COCC(=NNc1ccccc1Cl)C1CCCC1 780187113 AFLZPDYZXICJDC-UHFFFAOYSA-N 266.772 3.945 30 20 CHED N#Cc1ccc(CNN=C2CCC[C@H](C(F)(F)F)C2)cc1 783522723 ZGZLDVYCQGGXFX-ZDUSSCGKSA-N 295.308 3.756 30 20 CHED C[C@H]1CCC(=NNc2nc3ccccc3[nH]2)[C@H](C)C1 783791542 WGTNQSPQGRVKSY-WDEREUQCSA-N 256.353 3.787 30 20 CHED C#CCSc1nnc(Nc2cccc(C)c2C)s1 784285539 AVOYMNMAOMENLA-UHFFFAOYSA-N 275.402 3.624 30 20 CHED C=CCCCCCOC(=O)c1ccoc1Br 785016738 BOJYTTQTWFYZMT-UHFFFAOYSA-N 287.153 3.945 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C\Sc1ccccc1 785857627 NVWLYHAWHCAHOH-FZDNWWAKSA-N 273.401 3.860 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(C(=O)OC)cc1Cl 786610690 QYARARQFAJQXQO-OAHLLOKOSA-N 296.750 3.634 30 20 CHED CC(C)Cc1ccccc1C(=O)NCc1ccc(C#N)cc1 790272101 YSFDZZRYFPTJCC-UHFFFAOYSA-N 292.382 3.687 30 20 CHED C#CCOc1cccc(NC(=S)Nc2ccsc2)c1 790318388 CONZLIAVRGJKGM-UHFFFAOYSA-N 288.397 3.569 30 20 CHED COC1(CNc2ccc(OC(C)C)c(C#N)c2)CCCC1 792173339 ATXHQSNZYPDIKH-UHFFFAOYSA-N 288.391 3.717 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)[C@H](C)c1ccc(Cl)cc1 793152905 LXSOQZCNXRRXAP-QWHCGFSZSA-N 299.805 3.888 30 20 CHED CCC(CC)CNN=C(C)c1ccc(Br)cn1 794535559 JLXJNQFDUWGVIO-UHFFFAOYSA-N 298.228 3.594 30 20 CHED C/C(C=NNCCC(F)(F)F)=C/c1ccccc1 794552564 OOHNPGNATIAYEQ-SALNACHASA-N 256.271 3.618 30 20 CHED C[C@@H]1CSC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1O 794676225 KUSSKBMVKLJZGY-LNAFZJSBSA-N 290.215 3.869 30 20 CHED COc1cccc(NN=C2CCC[C@@H]2CCF)c1 794887791 CYEUBKLCYXIIMU-LLVKDONJSA-N 250.317 3.623 30 20 CHED CC(=NOC1CCCCC1)c1ccc2n[nH]cc2c1 794930981 NZOVBDVCMMJYIP-UHFFFAOYSA-N 257.337 3.636 30 20 CHED Fc1cccc(NN=Cc2ccccc2C(F)(F)F)n1 795009296 ZPQJSFMUKZKPCP-UHFFFAOYSA-N 283.228 3.686 30 20 CHED CCCCCCCCNC(=O)C(C)(C)C1CCOCC1 795200166 KNTATIFYSLYLBW-UHFFFAOYSA-N 283.456 3.916 30 20 CHED C=CCCOC(=O)c1cccc(C(=O)Nc2ccccc2)c1 796856491 VVWMSTQFLBFHFN-UHFFFAOYSA-N 295.338 3.672 30 20 CHED C#CCCCCNC(=O)[C@@H](C)c1cccc(CC(C)C)c1 797155932 YYWOJMMRIAMQPY-INIZCTEOSA-N 285.431 3.908 30 20 CHED Cc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(Cl)n1 797602299 JKCRQNAHQVXDEG-GFCCVEGCSA-N 285.778 3.766 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccc(OC(C)C)cc1 797888383 XSSYUZCVSSFEMD-UHFFFAOYSA-N 299.326 3.604 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 798936408 GKTDHVLMJZYOKJ-HOCLYGCPSA-N 286.419 3.819 30 20 CHED N#Cc1ccc(CNN=CCC2CCCCCC2)cc1 799112241 RCHXETMDTWZKNJ-UHFFFAOYSA-N 269.392 3.994 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cc(C)cc(Cl)n1 800495894 QXVBOPIPDKVYMI-NWDGAFQWSA-N 252.789 3.734 30 20 CHED COc1cccc(/C=N/C[C@H]2CCCC(F)(F)C2)c1O 800722221 ZWJSDGXHIADLPO-HPAYWCODSA-N 283.318 3.645 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1cc(F)ccc1Cl 801038613 GXLUYEDENZDVAH-ZDUSSCGKSA-N 256.704 3.987 30 20 CHED CC#CC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 801165137 PGDUVFZCIWKBJV-UHFFFAOYSA-N 289.256 3.733 30 20 CHED C=C(C)CCOC(=O)Cc1ccc(F)cc1Cl 803397909 DUHRVQWZJPRQLN-UHFFFAOYSA-N 256.704 3.531 30 20 CHED Cc1ccc(COC(=O)c2cc(C#N)ccc2Cl)cc1 803834159 SQNCHKZHFJCAIK-UHFFFAOYSA-N 285.730 3.877 30 20 CHED COc1ccc(CNc2nc(Cl)c(C#N)s2)c(C)c1 804557577 GVJLRGAVYWSWEV-UHFFFAOYSA-N 293.779 3.597 30 20 CHED C=C(Cl)CNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 805131441 JEODNVCZVTYHDU-BXUZGUMPSA-N 278.783 3.532 30 20 CHED C=CCCCN1CCCC[C@@H]1CCNC(=O)OC(C)(C)C 805765002 MWFZEKASDSYVKO-OAHLLOKOSA-N 296.455 3.722 30 20 CHED Cc1ccc([C@H](C)NCC(C)(C)CCC#N)c(O)c1 806177717 HTCCDFWBVUNDPT-ZDUSSCGKSA-N 260.381 3.681 30 20 CHED C=CCCCCCCCCNC(=O)N(C)[C@H]1CCCOC1 807592921 VSBSZUDNRPPURT-INIZCTEOSA-N 296.455 3.724 30 20 CHED CC(C)c1scnc1NC(=O)/C=C/c1ccccc1C#N 808273357 YIZYFROFHDXDET-BQYQJAHWSA-N 297.383 3.790 30 20 CHED C=CCCCCCCNCc1ccc2nc[nH]c2c1 808419739 XITODBUMYPVOBS-UHFFFAOYSA-N 257.381 3.789 30 20 CHED C=CCCCCOC(=O)C1(c2ccccc2OC)CC1 811013102 KCWFXXQQQBFGPX-UHFFFAOYSA-N 274.360 3.626 30 20 CHED C=CCCCCCCCNC(=O)c1cnn(C)c1C1CC1 811589525 AHVFQNQKISOZJL-UHFFFAOYSA-N 289.423 3.554 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1nccc2ccccc12 811646168 NFSZGTYZQLWNMW-OAHLLOKOSA-N 270.332 3.502 30 20 CHED C/C(C=NNCC(C)C)=C\c1ccccc1OC(F)F 811646768 LEDNLYHZHJTPLH-IYWATZIUSA-N 282.334 3.923 30 20 CHED C=CCCCCCCCNC(=O)N[C@@H](C)[C@H]1CCCOC1 811901345 AEEYRUTWUZFBCM-HOTGVXAUSA-N 296.455 3.627 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)CCCC#N 812481715 OIBXJJXWFFNQCB-KGLIPLIRSA-N 264.413 3.649 30 20 CHED C=CCCCS(=O)(=O)Oc1ccc(C2CCC2)cc1 813693491 QGXXJQGEYLDXLK-UHFFFAOYSA-N 280.389 3.629 30 20 CHED C(=NNc1cccc2cnccc12)c1nc2c(s1)CCC2 814836590 UCLUQPRWBRASOM-UHFFFAOYSA-N 294.383 3.626 30 20 CHED COc1ccc(CCNN=C2CC(c3ccccc3)C2)cc1 814855179 HMCKUKMBCAVOMZ-UHFFFAOYSA-N 294.398 3.761 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1ccc(C)nc1C 814917082 HLCAZBJZWUTLRI-INIZCTEOSA-N 273.424 3.981 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2nc(-c3cccnc3)no2)C1 814948125 ZOHQQZBIUWRYFP-QWHCGFSZSA-N 299.378 3.746 30 20 CHED COc1cc(C#N)cc(OCC[C@H]2CC2(Cl)Cl)c1 818083678 WKXBKKIZQNBEEL-JTQLQIEISA-N 286.158 3.530 30 20 CHED CCC(=NNc1cc(Cl)nc(Cl)c1)[C@H]1CCOC1 819830996 HXBGVHZGBGSBOP-QMMMGPOBSA-N 288.178 3.603 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)C[C@@H](O)c1ccco1 824057273 DGGKTQHIKFKXFR-RRFJBIMHSA-N 265.397 3.816 30 20 CHED CC[C@H]1C[C@@H](Nc2ccc(OC(C)C)c(C#N)c2)CCO1 824126205 STGWBGDQMOVMTB-HOTGVXAUSA-N 288.391 3.715 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)C#Cc1cccs1)C1CC1 825722606 YBOFIBMOSWAGOM-QWHCGFSZSA-N 275.417 3.525 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc(CF)cc1 826578075 TYCYLXUJZMZHPR-UHFFFAOYSA-N 276.355 3.558 30 20 CHED C=CCCCCN1CCC(O)(c2ccccc2Cl)CC1 829244554 YKTWGTDFFRKKEF-UHFFFAOYSA-N 293.838 3.980 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1cccnc1Cl 831733630 SYCWCETXBUAKEL-LBPRGKRZSA-N 280.799 3.529 30 20 CHED Fc1cccc(C=NNC2CCCCC2)c1Br 834972961 PYSWYSUCIJCCRY-UHFFFAOYSA-N 299.187 3.844 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1ccncn1 834979614 PTQRHROKBBMWOZ-UHFFFAOYSA-N 268.364 3.745 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1ccc2ccccc2c1O 834995804 BPARVTIJHQACFB-SNVBAGLBSA-N 296.292 3.810 30 20 CHED COC(=O)c1cc(NN=C(C)C2CCCC2)ccc1F 835011456 JVSDHEKWFIWSJJ-UHFFFAOYSA-N 278.327 3.590 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ncc(F)cc1F 835022891 VCMSYMDKMVYIBU-VHSXEESVSA-N 253.296 3.584 30 20 CHED C=CCC1(NC(=O)Nc2cccc(F)n2)CCCCC1 836526367 ODQIVTARUZQBTO-UHFFFAOYSA-N 277.343 3.621 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C#CC2CC2)cc1 837439422 FYZQXYFUAUSBBQ-ZWKOTPCHSA-N 281.399 3.503 30 20 CHED C=CC(C)(C)C(=O)OCc1ncc(Cl)cc1Cl 837864287 MQUOPPYVCJNEFL-UHFFFAOYSA-N 274.147 3.644 30 20 CHED C#CC[C@@H](NC(=O)N1CC(C)(C)[C@H]1C(C)C)c1ccccc1 838530100 WAXVNANJIIKXJQ-IAGOWNOFSA-N 298.430 3.827 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cc(C)nn1C(CC)CC 839043319 QNXFDKGMPBNAMA-CYBMUJFWSA-N 276.380 3.511 30 20 CHED C#Cc1ccc(CN[C@H](C)CCCc2cccnc2)cc1 839150030 IGEMNGMWDKMVSL-MRXNPFEDSA-N 278.399 3.564 30 20 CHED C=CCN(CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C 839466434 AEUUEVRUBSMFJJ-HNNXBMFYSA-N 296.455 3.530 30 20 CHED CC(=O)OCCCSCCC1(C#N)CCCCC1 840207927 ZYQDMCRVCNWSPM-UHFFFAOYSA-N 269.410 3.537 30 20 CHED CC(=O)c1ccccc1C(=O)OCCC1(C#N)CCCCC1 840283798 BQPDGMRFCHUYOP-UHFFFAOYSA-N 299.370 3.910 30 20 CHED Clc1cccc([C@@H]2CCC(=NN[C@@H]3CCCOC3)C2)c1 841637842 LANQKVGWWSSOIV-CZUORRHYSA-N 292.810 3.732 30 20 CHED C=CC[C@@H](OC(=O)[C@@H](CC)OCC)c1ccccc1 842340497 QAOQUFPCKAJQRT-HUUCEWRRSA-N 262.349 3.662 30 20 CHED C#C[C@H](OC(=O)CCCC(F)(F)F)c1ccccc1 842365377 MXMBMYQPFGCCND-LBPRGKRZSA-N 270.250 3.637 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCN(C(C)(C)C)C1=O 842882211 PJQGFETVQWVIHF-LSDHHAIUSA-N 280.456 3.500 30 20 CHED C=CCC(CC=C)C(=O)NCCC[C@H]1CC1(Cl)Cl 844963354 KKMWEJNSJIOTLG-LBPRGKRZSA-N 290.234 3.845 30 20 CHED CC[C@@H](OCCOC(=O)[C@@](C)(C#N)CC)c1ccccc1 845164799 BVDOXHPFSARTOM-NVXWUHKLSA-N 289.375 3.637 30 20 CHED C=C[C@H](C)ONC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 846548711 GQKGUZQYHAGAKX-JUDLJHIGSA-N 299.292 3.731 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C(C)=C/c1ccccc1Cl 847167974 KESMSLDYNIHNNK-YGNAEDSMSA-N 276.767 3.504 30 20 CHED CC[C@H](CCC(C)C)OC(=O)c1ncc(C#N)cc1C 847739622 GQMRYQTWCZTKHF-CQSZACIVSA-N 274.364 3.633 30 20 CHED Cc1cc(C)cc(CC(=O)O[C@@H](C)CC(C)(C)C#N)c1 853133540 FPQOGWMQYBYEND-AWEZNQCLSA-N 273.376 3.718 30 20 CHED Cc1ccc(NN=C[C@]2(C)CCCS2)cc1F 853438164 QGUIXVHSBOLFKC-ZDUSSCGKSA-N 252.358 3.818 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc(C)c(F)c1 853438984 WKSAKCRAEXJPOY-GFCCVEGCSA-N 264.344 3.739 30 20 CHED C=C(Cl)CSCC(=O)Nc1cc(C)cc(C)c1 853783370 RVPQBVRMUQIOBA-UHFFFAOYSA-N 269.797 3.728 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 855549699 FMXCSDLUEHZDMV-SFHVURJKSA-N 299.414 3.969 30 20 CHED C#CCCOC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 858922186 VSSLJHVEQLTKKE-UHFFFAOYSA-N 298.169 3.732 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccccc1Cl 860193377 GCNVZUKCBXMOAD-UHFFFAOYSA-N 265.740 3.713 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCCCc1ccco1 861019862 OBOGLSZLPLTIRD-AWEZNQCLSA-N 297.354 3.506 30 20 CHED CCCCCCCNC(=O)Cc1nsc2ccccc12 862354683 DNUFPGCZXRLWJB-UHFFFAOYSA-N 290.432 3.925 30 20 CHED Cc1ccc([C@@H](C)C=NN2CCc3ccccc3C2=O)cc1 863104541 KMFJDNFEHOOOGL-HNNXBMFYSA-N 292.382 3.783 30 20 CHED C=CCCOc1ccccc1-c1cccc([C@@H](O)CNC)c1 863720029 RKMCKOFJIGNEHQ-SFHVURJKSA-N 297.398 3.561 30 20 CHED CN(C(=O)C1CC(C)(C)C1)c1ccc(C#N)c(Cl)c1 876168477 URLSJEQDERUWGY-UHFFFAOYSA-N 276.767 3.611 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 890455714 UAMVGGWKIDLHCA-UHFFFAOYSA-N 297.402 3.637 30 20 CHED CC(C)[C@@H](Nc1c(Cl)cccc1C#N)c1cnn(C)c1 896428000 JNPUVPOFEQKGLR-CQSZACIVSA-N 288.782 3.754 30 20 CHED N#CC1(CCCC[S@](=O)c2cccc(F)c2)CCC1 899287176 SLIYOKGVXPUFGW-IBGZPJMESA-N 279.380 3.797 30 20 CHED C[C@@H]1/C(=C/c2ccc(C3CC3)cc2)C(=O)c2nccn21 901565177 KPHLYAIBHROQDV-MKVLZVNKSA-N 264.328 3.601 30 20 CHED N#Cc1sccc1C(=O)N1CC[C@@H](C2CCCCC2)C1 912453836 IDNOIAZKTGZDTE-CYBMUJFWSA-N 288.416 3.662 30 20 CHED COc1cccc(/C=N/Cc2ccc([C@@H]3C[C@@H]3C)o2)c1O 917556687 IKBPRZBPMGAOCZ-QMUUXBEGSA-N 285.343 3.736 30 20 CHED Cc1cc(C=NNc2ncnc3sc(C)c(C)c23)c(C)[nH]1 917570071 JRALUKVOMARKHK-UHFFFAOYSA-N 299.403 3.699 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(C)o1 920376825 VABFSXVOHJYOMA-UHFFFAOYSA-N 250.248 3.702 30 20 CHED Cc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1[N+](=O)[O-] 921263903 KRZYRMVEUYCJDF-GHXNOFRVSA-N 297.285 3.865 30 20 CHED Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)CC(C)(C)C#N 924844530 UYPQDVXYSXQGKZ-XJKSGUPXSA-N 256.393 3.900 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 931355492 SJQDUGIQZLAEKQ-ZBFHGGJFSA-N 287.403 3.613 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)c1sc(C)nc1C 932197096 OFYZFWGPPYQTAB-AAEUAGOBSA-N 280.437 3.882 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnn(CC(C)C)c1C1CC1 935997864 NEUSQOQVTZGCEY-CYBMUJFWSA-N 289.423 3.957 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1116425458 BFOUCLSINGUIJL-NXEZZACHSA-N 284.762 3.804 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(Cl)n1C 1123234501 WBFQMEWXIDXQQM-WDEREUQCSA-N 295.814 3.712 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 1134212568 UFZDMXLVSQDRIO-KZNAEPCWSA-N 298.430 3.796 30 20 CHED Cc1nsc(Sc2ccc3c(c2)CCC3)c1C#N 1184634500 QCMKEAUOZPMLQE-UHFFFAOYSA-N 272.398 3.963 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1ccnc(C)n1 1255779509 RVBHHNXXKLBNLK-UHFFFAOYSA-N 295.173 3.928 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H]2CCCC[C@H]2C1 1319942359 JHDBDYZWUYZGPN-XHSDSOJGSA-N 278.440 3.953 30 20 CHED CCc1cccc(CON=Cc2ccc(C(=O)OC)cc2)c1 1320618361 FIYSQQHJOFXJER-UHFFFAOYSA-N 297.354 3.586 30 20 CHED Cc1noc(C(C)C)c1-c1nnc(-c2cccc(C#N)c2)o1 1326306674 SJJDAWNMXXJADA-UHFFFAOYSA-N 294.314 3.695 30 20 CHED C/C=C(/C=C/c1nnc(-c2ccc(C#N)cc2)o1)CC 1326497532 RZHVQEPHQPXXPH-IBIBRXRCSA-N 265.316 3.978 30 20 CHED CCCCCCCCCC(=O)NC(C)(C)c1ncccn1 1331351371 AMAFMCVEFJNHRG-UHFFFAOYSA-N 291.439 3.969 30 20 CHED C[C@H](CN(C)C(=O)c1csc(C#N)c1)C1CCCCC1 1331823559 WRUSONGPQKLFDF-GFCCVEGCSA-N 290.432 3.908 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(N(C)C)cc1C 1332834732 CPOUSHAPOVZDQI-CYBMUJFWSA-N 260.381 3.602 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCSc2ccc(F)cc21 1336892462 ZKTMWYZDFLHTBG-CYBMUJFWSA-N 279.380 3.835 30 20 CHED CC(C)(C)Oc1ccc(CCNCc2ccc(C#N)o2)cc1 1337283147 WQSMUUUMGQEBPW-UHFFFAOYSA-N 298.386 3.661 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cncc(C(F)(F)F)c1 1339280480 QUKQIFRZAQKBTH-ZDUSSCGKSA-N 298.308 3.671 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1N1CCCC1 1339481505 DYNRCLQVBZHPNR-UHFFFAOYSA-N 258.365 3.582 30 20 CHED Cc1cccnc1[C@@H](C)Nc1nc(Cl)c(C#N)s1 1339872033 LKDQMQASTSOHJO-MRVPVSSYSA-N 278.768 3.545 30 20 CHED CC[C@@](C)(NC(=O)c1cccc(C#N)c1C)c1ccccc1 1344639398 UFHRWNLFQVWNFL-LJQANCHMSA-N 292.382 3.922 30 20 CHED C=C(CC)C(=O)NCc1cc(Cl)ccc1OC(F)F 1346611819 MDQGHMKRRUZMIO-UHFFFAOYSA-N 289.709 3.524 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1cccc(C#N)c1 1349703789 LGTQWDGBOSHGNT-AWEZNQCLSA-N 278.355 3.684 30 20 CHED N#C[C@@H](NC(=O)CCCCc1ccccc1)C1CCCC1 1350305605 PANNGHMVJNLNON-QGZVFWFLSA-N 284.403 3.598 30 20 CHED CC[C@@H](CC(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1357599288 SRXWBCXSZJXXIA-DZGCQCFKSA-N 296.345 3.981 30 20 CHED CCC1(C(=O)Nc2ccc(OC)c(C#N)c2)CCCCC1 1438723870 UPVDBDPLXQISMD-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C=C(CNC(=O)[C@@H](CC#N)c1ccccc1)c1ccccc1 1460682089 RMNUMGYLSSROJC-SFHVURJKSA-N 290.366 3.513 30 20 CHED N#CCC1(CNC2(Cc3ccccc3)CCCC2)CC1 1473366748 YHKFGIWZMRBNQG-UHFFFAOYSA-N 268.404 3.825 30 20 CHED C=C(C)CCC(=O)OCc1cc(C)nc(Br)c1 1515362785 BWUCZDSJXXZTIY-UHFFFAOYSA-N 298.180 3.552 30 20 CHED C[C@@H](OC(=O)CCC1(C)CC1)c1cccc(C#N)c1 1516897965 AGZRVSNRNRTTTG-GFCCVEGCSA-N 257.333 3.743 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccnc(Cl)c1 1517595058 KLBFHVIYTDJTSC-GFCCVEGCSA-N 279.771 3.698 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@H](CC#N)c1ccco1 1520418107 NKINUDKYBYXKBR-OCCSQVGLSA-N 267.300 3.696 30 20 CHED Cc1ccc(C)c([C@@H](C)OC(=O)c2cc(C#N)oc2C)c1 1527936574 ZRMOGUOZLYCEQG-GFCCVEGCSA-N 283.327 3.995 30 20 CHED C[C@H](OC(=O)[C@H]1CC[C@H](C)CC1)c1cccc(C#N)c1 1533357822 PCRKHKDBJRCXQA-YDHLFZDLSA-N 271.360 3.989 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(F)cc1 1536550000 MCKZHLNXQRCRTF-KRWDZBQOSA-N 294.329 3.505 30 20 CHED C=CC[C@@H]1CC[C@@H](Nc2ccc(C(=O)O)cc2OC)C1 1588770638 BRHPDTLLOAODCH-DGCLKSJQSA-N 275.348 3.550 30 20 CHED CCc1ccc(/C=C\C(=O)c2cc(C(=O)O)cs2)cc1 1597519801 BKLVXELUUYJSRX-FPLPWBNLSA-N 286.352 3.905 30 20 CHED COc1ccc(C[C@H](C)CNc2cccc(F)c2C#N)cc1 1642518562 ADOHROGIRISPKE-ZDUSSCGKSA-N 298.361 3.997 30 20 CHED Cc1ccccc1CCN(C)c1cccc(F)c1C#N 1642725827 ZYEJLWULMHCSJU-UHFFFAOYSA-N 268.335 3.685 30 20 CHED CCCC[C@@H](NC[C@@H](O)c1cccc(C#N)c1)C1CCC1 1645234692 NPGLRSNQGWQPMR-QZTJIDSGSA-N 286.419 3.540 30 20 CHED C=C(Cl)CN(C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1646026125 LACXFWBUUKRLGY-LSDHHAIUSA-N 279.811 3.917 30 20 CHED C[C@@H]1CC[C@H](NCC(C)(C)CC#N)CN1Cc1ccccc1 1652638278 DAOHZRSMDDWZMQ-AEFFLSMTSA-N 299.462 3.569 30 20 CHED C=C(Br)CN1CCC[C@]1(C)CC(C)C 1654517713 ODSUOKXWBDUJRH-GFCCVEGCSA-N 260.219 3.796 30 20 CHED Cc1cc(NCc2cc(-c3ccccc3)no2)ncc1C#N 1654954831 AOFZREZDZWOIMV-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CC[C@H](C)[C@@H](C)N(CCc1ccc(C#N)cc1)C1CC1 1657279848 AMOOZIFCVVWGFH-LSDHHAIUSA-N 270.420 4.000 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)c2ccc(F)cc2O1 1657427486 CPURWTPOUTVDPA-SNVBAGLBSA-N 288.347 3.546 30 20 CHED CC(C)CC1(CNC(=O)N2CCC[C@@H](C#N)C2)CCCC1 1678760900 NURDGSBZFCBRSS-HNNXBMFYSA-N 291.439 3.538 30 20 CHED CC(C[C@H]1C=CCC1)=NNc1cccc(C(=O)O)c1 1776038142 UQLVJVXFPXZRAS-LBPRGKRZSA-N 258.321 3.529 30 20 CHED CC(CCc1ccccn1)=NNc1cccc(C(=O)O)c1C 1776089664 BVLJUMLCQUAULD-UHFFFAOYSA-N 297.358 3.509 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cc(C(=O)O)c(C)o2)c1 1776133634 GGRRKIPDAHUQFJ-VOTSOKGWSA-N 284.311 3.799 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)cc2)oc1C 1777418511 QXMPYRVXCZNWOQ-XOHWUJONSA-N 296.322 3.890 30 20 CHED COc1cc(/C=C/C(=O)c2cccs2)cc(OC)c1 7740144 WBUXGUSSZDYPLU-AATRIKPKSA-N 274.341 3.661 30 20 CHED N#Cc1ccc(C(=O)CSc2ccccc2F)cc1 19047534 BBNULKOOGXKVKF-UHFFFAOYSA-N 271.316 3.672 30 20 CHED CN(Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 22761305 BPWITEIRYGZXMF-GOSISDBHSA-N 262.356 3.678 30 20 CHED CN(Cc1ccccn1)c1ccc(C(F)(F)F)cc1C#N 36778376 HPSKDWKRHWUSGB-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC(C)CN(C)c1ccc(C#N)c(C(F)(F)F)c1 37108704 PNNVBOGLMLOZEI-UHFFFAOYSA-N 256.271 3.669 30 20 CHED C#Cc1cccc(NCc2ccc(OC)c(C)c2)c1 37185232 BBGBUSWVSKUDIE-UHFFFAOYSA-N 251.329 3.597 30 20 CHED C[C@@H](Nc1cccc(F)c1)c1ccc(OCC#N)cc1 37202600 OWSDDVAXBPCZPX-GFCCVEGCSA-N 270.307 3.901 30 20 CHED Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 37298939 GPCUYBAMMXCGSL-LBPRGKRZSA-N 281.315 3.948 30 20 CHED Cc1ccccc1C[C@@H](C)NCc1cccc(C#N)c1 37777059 XPMILSYESGAKHH-OAHLLOKOSA-N 264.372 3.588 30 20 CHED CCc1sc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)cc1C 41574832 ZYIHVGUZFRLARQ-GFCCVEGCSA-N 299.399 3.516 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccc(Cl)cc1 44766670 YDABWASYAYFWIJ-NSHDSACASA-N 278.783 3.847 30 20 CHED CCN(CCc1ccccc1)Cc1ccccc1C#N 45943869 PZFBHPGWEBHUCV-UHFFFAOYSA-N 264.372 3.623 30 20 CHED N#Cc1cccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1 46306157 LIULQNCCYWMXOV-UHFFFAOYSA-N 295.729 3.945 30 20 CHED C#Cc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 46633857 BZIRBWRGVMTOCQ-UHFFFAOYSA-N 293.366 3.809 30 20 CHED CCc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 49519298 DBIZVJFTHHMGRN-UHFFFAOYSA-N 264.328 3.681 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1 51953022 ZEKBFHJKNYWDLB-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 53365843 CNDFVYDEBWWUNJ-DZGCQCFKSA-N 273.376 3.536 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 54838566 DEPFKDTWQIBDKQ-CQSZACIVSA-N 285.347 3.625 30 20 CHED CN(C(=O)c1cccc(C#N)c1)c1cccc2ccccc12 56225163 VXYGMTSRONUTIC-UHFFFAOYSA-N 286.334 3.988 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2ccccc2c1 57157827 BORAOXBEDJLSBT-UHFFFAOYSA-N 253.345 3.878 30 20 CHED Cc1cc(C#N)ccc1OCCOc1cccc(Cl)c1 60349609 CWROETPPRXQCIP-UHFFFAOYSA-N 287.746 3.978 30 20 CHED N#Cc1ccc(Cl)cc1N1CCc2sccc2C1 62789808 XUWYRYKSQCCTQK-UHFFFAOYSA-N 274.776 3.836 30 20 CHED CC[C@H](Nc1ccc(Cl)c(C#N)n1)c1nc(C)cs1 67372214 WLNFHMIVICTOHZ-JTQLQIEISA-N 292.795 3.935 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 69313636 MEMZKJGFDIQMRJ-SECBINFHSA-N 288.174 3.913 30 20 CHED CNC(=O)c1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1 71850453 UMUJGSSAAWLVTC-YRNVUSSQSA-N 293.366 3.559 30 20 CHED C[C@@H]1CCN(CCCSCC#N)c2ccccc21 72514846 CIEGJGUWBZHTEW-CYBMUJFWSA-N 260.406 3.647 30 20 CHED CCOc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1CO 76426840 JAYOADUGBYTPGO-CYBMUJFWSA-N 296.370 3.622 30 20 CHED CSc1cccc(NC(=O)N(CCC#N)CC2CC2)c1 78439590 FPESFOJVIODCKJ-UHFFFAOYSA-N 289.404 3.566 30 20 CHED CC1(Nc2nc(C(F)(F)F)ccc2C#N)CCCC1 78834985 QIZNSIOLHHTCGM-UHFFFAOYSA-N 269.270 3.717 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(C#N)cc2)o1 79626951 QWVMOZYBQQUUIU-XHDPSFHLSA-N 295.342 3.596 30 20 CHED Cc1cc(F)ccc1NCc1ccc(F)c(C#N)c1 83429854 JBQLZWVWHXLTCM-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=C(C)CSc1nnc(SCC(=C)C)s1 97528427 BNIKKANPUBVKEC-UHFFFAOYSA-N 258.437 3.875 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(C)[C@H](C)CC#N 103441191 ZLMCYNZHWXIONJ-ZIAGYGMSSA-N 252.402 3.744 30 20 CHED CCN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 105039373 ZNVMDCPREIKDKQ-UHFFFAOYSA-N 295.342 3.834 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1coc2ccccc12 113171507 CTSZHHBXRPNGKR-UHFFFAOYSA-N 284.359 3.835 30 20 CHED C=CC[C@H](C)NC(=O)c1cnc(-c2ccsc2)s1 116858770 LHHIKFZFFFQYQZ-VIFPVBQESA-N 278.402 3.566 30 20 CHED C=CC[C@H](C)NCc1ccc(OC(F)F)c(OCC)c1 116926952 VHGDBIPMVDVUND-NSHDSACASA-N 285.334 3.741 30 20 CHED CC(C)(C#N)CCN1CCO[C@@H](c2ccccc2Cl)C1 119911659 VVWZUYNBGIEUMW-OAHLLOKOSA-N 292.810 3.653 30 20 CHED CC[C@H](C#N)N[C@H]1CCSc2ccc(Cl)cc21 122200838 MLLXAHQHYLRTKN-PWSUYJOCSA-N 266.797 3.769 30 20 CHED C=CCCOCCNC(=O)Nc1ccc2ccccc2c1 122483843 VAESSCDYNCYCHN-UHFFFAOYSA-N 284.359 3.554 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)NC2(C#N)CCC2)cc1 128095420 NBKZZFQIJLWVLI-AWEZNQCLSA-N 284.403 3.551 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(Cl)c(N)c(Cl)c1 131963416 HVBQCMPDCZQIHU-JGVFFNPUSA-N 259.180 3.801 30 20 CHED C[C@@H](CCc1ccco1)Nc1ccc(F)cc1OCC#N 136891234 NBHXHUOXCNABAN-LBPRGKRZSA-N 288.322 3.754 30 20 CHED N#CCC[C@H](NC(=O)CC1CCCC1)c1ccccc1 153518600 FZHZKCGUDSBQCB-INIZCTEOSA-N 270.376 3.728 30 20 CHED CC#CCCSc1nnc(-c2cccs2)n1C1CC1 155142383 ORCIDTYNXHAOIL-UHFFFAOYSA-N 289.429 3.847 30 20 CHED CC(C)c1ccc(N(C)C(=O)c2cccc(C#N)c2)cc1 155803207 NKCXEHSWMSEANH-UHFFFAOYSA-N 278.355 3.958 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(F)c(C#N)c2)n1 159839607 DNHITQWHIMIMED-GOSISDBHSA-N 295.361 3.738 30 20 CHED C=CC1CCN(C(=O)[C@@H](CC)c2ccc(F)cc2)CC1 159944973 MXJIGBASZHOQHM-INIZCTEOSA-N 275.367 3.744 30 20 CHED C=C(Cl)CNCc1c(Cl)oc2ccccc12 160535072 DSMRIHYWVGPITD-UHFFFAOYSA-N 256.132 3.928 30 20 CHED Cc1cc(C#N)ccc1CSc1ccccc1O 166213383 QXSAPXATKOFQJG-UHFFFAOYSA-N 255.342 3.865 30 20 CHED CN(C(=O)c1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 167665355 NBCDVMQAZSQOBG-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1F 171281851 CIOUVGWJFCXBON-UHFFFAOYSA-N 298.317 3.657 30 20 CHED N#CCCCCNC(=O)c1ccc(-c2ccccc2)s1 171507997 IRMOPDRDXGFEGX-UHFFFAOYSA-N 284.384 3.839 30 20 CHED C=CC1CCN(C(=O)NCc2cc3ccccc3o2)CC1 171837654 TWUIYFGIAXMTPS-UHFFFAOYSA-N 284.359 3.540 30 20 CHED CC[C@H](C)C[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 174594060 KDOUJUUMFDTCKL-KKUMJFAQSA-N 274.408 3.892 30 20 CHED C#CCCCNC(=O)N[C@@H](C)c1cc2ccccc2s1 174793470 SFRXJCKQDLXZSE-LBPRGKRZSA-N 286.400 3.675 30 20 CHED C=CCCCC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 175686036 YOAXONBCAIZOSI-GDBMZVCRSA-N 257.377 3.747 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]2CCCC[C@H]21 176904349 PTUFLWVOXHABAD-GOEBONIOSA-N 261.409 3.936 30 20 CHED N#Cc1ccc(CNCc2cc(-c3ccccc3)on2)s1 176960190 CFJKSIWFIKBYLJ-UHFFFAOYSA-N 295.367 3.565 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc(Cl)c1 178391373 QFJANXVBRMJWDQ-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2C)C1 178550612 MKWKJQSFMAMNNN-ZDUSSCGKSA-N 271.364 3.521 30 20 CHED C#CCCCCC(=O)Nc1ccccc1Br 179609249 XNCYFQSODDHCFO-UHFFFAOYSA-N 280.165 3.581 30 20 CHED C=C(C)CN(C)C(=O)c1cnc(-c2ccsc2)s1 180448281 NDHMUSDVMMXDEW-UHFFFAOYSA-N 278.402 3.520 30 20 CHED CCOc1ccc(C#N)cc1NCc1sc(C)nc1C 181417298 WTTZLTYAJNDRNQ-UHFFFAOYSA-N 287.388 3.642 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc(Br)c2)C1 185722876 IXNIQLVPGRVQPN-PWSUYJOCSA-N 279.181 3.943 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2c[nH]nc2-c2ccccc2)C1 185899155 VSKKIPXWAQNJQJ-GXTWGEPZSA-N 266.348 3.571 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl 186031203 QRWAHBQKSOWVRT-INWMFGNUSA-N 290.794 3.703 30 20 CHED CCCCCCCC(=O)Oc1ccc2c(c1)NC(=O)CC2 186732453 QCVUKKGIOWTSTB-UHFFFAOYSA-N 289.375 3.837 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cccc(-c2ccccn2)c1C 187949016 IWEBAHXNBHIHJE-AWEZNQCLSA-N 294.354 3.906 30 20 CHED CCC1(CC)CCN(C(=O)CCc2ccc(C#N)cc2)CC1 188605871 HVKBSIZOTVHFAU-UHFFFAOYSA-N 298.430 3.920 30 20 CHED C=CCCCCCN(C)C(=O)c1ccoc1Cl 192317683 UROAZRBHBWGYSY-UHFFFAOYSA-N 255.745 3.751 30 20 CHED C=CCSCCN[C@@H](C)c1ccccc1SC 194920793 ZWQBXEUJGZALLN-LBPRGKRZSA-N 267.463 3.978 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(C(=O)OC)o2)s1 195332156 YXUUZANXPJAUNC-QPJJXVBHSA-N 290.340 3.586 30 20 CHED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1ccco1 205637714 GJSBDUCICHICKM-NHLLAZGQSA-N 269.256 3.640 30 20 CHED C[C@@H](C#N)CN(C)Cc1cccc(Cl)c1Cl 217905150 NHWFCYKAFHFNDZ-VIFPVBQESA-N 257.164 3.585 30 20 CHED CC(C)(C#N)CCCCOc1ccc(F)cc1C=O 232520755 CEHLYWKIPAYYMO-UHFFFAOYSA-N 263.312 3.737 30 20 CHED CC[C@@H](C)[C@H](C)NCc1cccc(OCCCC#N)c1 236879053 FQTLZJXXUSGBHS-CABCVRRESA-N 274.408 3.893 30 20 CHED C#CCOc1ccc(F)cc1NCc1cccc2[nH]ccc12 237858836 BHWLPFJTUMAXDX-UHFFFAOYSA-N 294.329 3.931 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]2CCC[C@H]21 245640133 DDUYHJXXZOELLG-RRFJBIMHSA-N 264.413 3.705 30 20 CHED C[C@H](C[C@H]1CCCCCN1)N[C@H](C)c1ccc(C#N)cc1 251268165 XCXIKWQMLZFANS-IIDMSEBBSA-N 285.435 3.520 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1ccc(O)c(F)c1 255202980 HDTUYDUUYCUQNL-ALCCZGGFSA-N 278.229 3.706 30 20 CHED CC[C@H](C#N)NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 255914723 JYKBPOZMAPURGZ-PGJNLMOESA-N 296.292 3.527 30 20 CHED COc1ccc(N/C(N)=N/[C@@H]2C[C@@]2(C)C(C)C)cc1Cl 263027595 AYDVIQICUPGLHH-HIFRSBDPSA-N 295.814 3.510 30 20 CHED C=C1CCN(C(=O)c2oc3c(C)cccc3c2C)CC1 264524771 WLUDZNHOYCTDAO-UHFFFAOYSA-N 269.344 3.842 30 20 CHED N#Cc1cc(F)ccc1NC1CCN(C2CCCC2)CC1 267183376 KUSRBNXRBSHPPC-UHFFFAOYSA-N 287.382 3.516 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1cccc(F)c1F 267448951 MCUFRJHYQZBBPK-UHFFFAOYSA-N 295.333 3.758 30 20 CHED C[C@H]1C[C@H](NCCCC#N)c2ccsc2S1 273250541 KXDLGSRCWDPLHT-ONGXEEELSA-N 252.408 3.567 30 20 CHED C=CCCCC(=O)N1CC[C@H](C)c2cccc(O)c21 274427676 ZWQHNIAWORMDSN-LBPRGKRZSA-N 259.349 3.589 30 20 CHED C#CCCCC(=O)N(CC)[C@H](CC)c1ccccc1 276952676 CHVSYEPTTLLYGB-MRXNPFEDSA-N 257.377 3.790 30 20 CHED C=CC[C@@H]1N(C(=O)c2cnc(C)s2)CCCC1(C)C 278310719 HFNNJNKYBWXFNX-ZDUSSCGKSA-N 278.421 3.658 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N2CCC(C#N)CC2)c1 285358246 ZRPPAYWANOPXPA-HNNXBMFYSA-N 298.430 3.751 30 20 CHED C=C(C)[C@@H](NCC1CC(OCC)C1)c1ccc(F)c(F)c1 285455783 YJWCXCRDCKHWLJ-MKTAYPAQSA-N 295.373 3.987 30 20 CHED C[C@@H]1Sc2ccccc2N(C(=O)CCCC#N)[C@H]1C 291263758 BYXFKJYURQHNEA-RYUDHWBXSA-N 274.389 3.596 30 20 CHED CCc1ccc(C(=O)/C=C/c2cn(C)nc2C(F)F)s1 291458799 GBVCUVNPAMBVPV-GQCTYLIASA-N 296.342 3.878 30 20 CHED C=CCN(CCC#N)Cc1ccc(Cl)c2cccnc12 292133294 IXCRHOUANIGQBS-UHFFFAOYSA-N 285.778 3.790 30 20 CHED N#CCC[C@@H](NC(=O)NCC1=CCCCC1)c1ccccc1 296528899 PJVPPTWCLCOKEG-QGZVFWFLSA-N 297.402 3.831 30 20 CHED C/C=C/C=C/C(=O)Nc1sc(C(C)(C)C)cc1C#N 297858710 STCMOFNLWYQSAG-BSWSSELBSA-N 274.389 3.988 30 20 CHED CN(C(=O)c1cccc2c1CCCC2)c1ccc(C#N)cc1 297906888 ZATHTBGAAKYWEU-UHFFFAOYSA-N 290.366 3.714 30 20 CHED N#Cc1cc(Cl)ccc1NCCOCc1ccccc1 301477163 PAIAONJEMHGLMV-UHFFFAOYSA-N 286.762 3.840 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)c1ccc(C#N)nc1 301548946 XSQFCAOYLSRMGA-GFCCVEGCSA-N 277.327 3.897 30 20 CHED C=CCN1CCC(Nc2cc(C)nc3ccc(F)cc23)CC1 301654403 HMHSETWBYILSQX-UHFFFAOYSA-N 299.393 3.745 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(C)cc1 302166831 AGEZWPBTQUBXPP-AWEZNQCLSA-N 277.433 3.900 30 20 CHED Cc1cc(C)cc(N/C(N)=N/CCSc2ccccc2)c1 303784574 PHXAWPOJXHIRBG-UHFFFAOYSA-N 299.443 3.822 30 20 CHED N#Cc1cccc(COc2ccc(Cl)cc2F)c1 304623414 TYKYWFLBYCOBFZ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cc1F 308717501 XVIRNWWCPOBCES-BLLLJJGKSA-N 260.356 3.756 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(O)=Nc1nccn1-c1ccccc1 328749568 QCFWCKJVXQDATE-UONOGXRCSA-N 298.390 3.681 30 20 CHED OC(=Nc1cccc2ocnc12)[C@H]1CCCCS1 328860748 ANBQZUTVUAUIFU-LLVKDONJSA-N 262.334 3.702 30 20 CHED OC1=NCCC[C@@H]1/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329038206 CSZUOCUFERDCQP-DGAVXFQQSA-N 278.396 3.668 30 20 CHED Cc1ncc(/C(O)=N/[C@H]2CCCCC23CCCC3)[nH]1 329597514 CODSUBYVXIHJQT-ZDUSSCGKSA-N 261.369 3.526 30 20 CHED Cc1csc([C@H](C)/N=C(/O)c2cc[nH]c2C(C)C)n1 330597959 DFPTYEWCBZZRAH-JTQLQIEISA-N 277.393 3.969 30 20 CHED CCC[C@@H](CC)/N=C(/O)Nc1cccc2c1CCO2 331214069 MMIHPYCMUDDBSK-LLVKDONJSA-N 262.353 3.526 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(C)no1 332373890 DNPMBDSOGZFERE-GXTWGEPZSA-N 291.395 3.574 30 20 CHED C[C@@H]1CCN(C(=O)Nc2cccc(CC#N)c2)C[C@@H](C)C1 334981731 IEJXJKKFKLMWCY-KGLIPLIRSA-N 285.391 3.653 30 20 CHED CC(=O)c1ccc(Oc2ccc(C#N)c(C)n2)c(C)c1 335738849 PKOQQTWAWGJCFH-UHFFFAOYSA-N 266.300 3.565 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CCCCS1 336283524 WCBGRUBNODBLJO-ZDUSSCGKSA-N 294.807 3.630 30 20 CHED COCC1(CN[C@H]2CCCCc3cc(C#N)ccc32)CCC1 337378818 CHBHZTAZWFSDPV-SFHVURJKSA-N 298.430 3.732 30 20 CHED C=CCCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 338664460 MZYUTINQTWJBFU-CYBMUJFWSA-N 261.365 3.684 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1C 338866558 SNMNLJRDHUHFJE-UHFFFAOYSA-N 296.418 3.676 30 20 CHED Cc1ncsc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 340166393 IEXWKYMMLLBXKY-UHFFFAOYSA-N 299.399 3.626 30 20 CHED N#Cc1ccnc(NCc2ccc(OC3CCCC3)cc2)c1 341840646 DMUMWKPCUQOHMK-UHFFFAOYSA-N 293.370 3.887 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(Cl)o1 344340921 ALVRCPOXQOSRFJ-UHFFFAOYSA-N 281.764 3.823 30 20 CHED N#CCCCNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 344887024 VJHXEFWJIGBCRF-UHFFFAOYSA-N 291.354 3.683 30 20 CHED C=CCOc1ccccc1CNc1ncc(C#N)cc1Cl 347290964 MUHAWNIBZWRFIO-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CCS[C@H]1CCC[C@@H]1NCc1ccc(CC#N)cc1 348531230 LWENTYJHEKWFMO-HOTGVXAUSA-N 274.433 3.516 30 20 CHED CCCCSCCC(=O)N(CCC#N)C(C)(C)CC 348540347 GCWBCCGRPVSEOD-UHFFFAOYSA-N 284.469 3.841 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(-c3nnco3)cc2)no1 351332809 VUJURHSJDRUISB-UHFFFAOYSA-N 296.330 3.640 30 20 CHED C=C(CC)CN1Cc2ccc(OC)cc2C2(CC2)C1 352422536 JDPVVALOLLRBPV-UHFFFAOYSA-N 257.377 3.509 30 20 CHED COc1ccc(C#N)cc1NCc1cnc2ccccc2c1 354852797 OTTPKWCAOGFNOD-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](C)O1 354892803 LYDBHXNVHPOGGB-CRAIPNDOSA-N 286.419 3.584 30 20 CHED C=CCCC1(C(=O)N2CCC(Cc3cccnc3)CC2)CC1 356649851 WTRHKWRAODOJHK-UHFFFAOYSA-N 298.430 3.609 30 20 CHED CC#CCCSCc1ccc(-n2cccn2)cc1 360515903 CGEGHCJXARNUEG-UHFFFAOYSA-N 256.374 3.519 30 20 CHED Cc1ccc(CNc2c(Cl)cccc2C#N)cn1 360964581 VDRTZSRJOLFNLM-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@@H]1CCOc2ccccc21 362443481 WXBKKOULNPUYHZ-KRWDZBQOSA-N 292.382 3.556 30 20 CHED Cc1n[nH]cc1C1CCN([C@H](C)c2cccc(C#N)c2)CC1 375363356 SKEMFDAAFHNJOK-CQSZACIVSA-N 294.402 3.530 30 20 CHED C[C@H]1Oc2ccccc2[C@H]1Nc1ncc(C#N)cc1Cl 377174944 JXVXKVNHHOWCMJ-OTYXRUKQSA-N 285.734 3.541 30 20 CHED C#Cc1ccc(CNc2ccc3c(c2)CCCC(=O)N3)cc1 377708200 XZUUAJRCFUGQSL-UHFFFAOYSA-N 290.366 3.555 30 20 CHED C=C(Br)CN(CC)c1cccc(C)c1 379634862 QHQSUWRJGSPYHQ-UHFFFAOYSA-N 254.171 3.730 30 20 CHED N#Cc1ccccc1OC[C@@H]1CCCCC1(F)F 382201021 RWHZVXYJBMFZBJ-LBPRGKRZSA-N 251.276 3.763 30 20 CHED C=CCCCCNCc1ccc(OC)c(Cl)c1 383772095 HWRPNLINGFETFT-UHFFFAOYSA-N 253.773 3.795 30 20 CHED C=C(Cl)CN(C)Cc1cccc(Br)c1 404165388 AXRSMNPNMPKGKO-UHFFFAOYSA-N 274.589 3.633 30 20 CHED N#CC1(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCCC1 408022655 UUUVPSSZAJKWSQ-HRCADAONSA-N 288.435 3.936 30 20 CHED CC1(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCCC1 408061935 MKZUPCLDAOHKET-UHFFFAOYSA-N 288.395 3.569 30 20 CHED CCCC(CCC)C(=O)N1CCCC(C)(C)[C@@H]1C#N 410769599 WXYKXVYNDUDBMF-AWEZNQCLSA-N 264.413 3.744 30 20 CHED C=CCOc1cccc(CN[C@H]2COCc3ccccc32)c1 418093931 CXVCLUSANKWHCN-IBGZPJMESA-N 295.382 3.613 30 20 CHED Cc1ccc(CNCC2(C#N)CCC2)c(Br)c1 418144324 SRMVGWDMQYZXNW-UHFFFAOYSA-N 293.208 3.541 30 20 CHED C=CCC1(c2nc(Cc3cccnc3C)no2)CCCC1 420510270 HZNTUQDZJFRSME-UHFFFAOYSA-N 283.375 3.752 30 20 CHED CCCC[C@H](Nc1cncc(C#N)n1)c1ccc(OC)cc1 420592090 YWGIRHDZHFLUKI-INIZCTEOSA-N 296.374 3.700 30 20 CHED C=C(C)CCc1noc(C2(Oc3ccccc3)CC2)n1 421264273 IGPSVTFQCVYOHJ-UHFFFAOYSA-N 270.332 3.646 30 20 CHED C=C[C@H](C)NC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 425474084 YDNCOHLTLODLQR-ZFWWWQNUSA-N 272.392 3.744 30 20 CHED FC(F)(F)c1ccc(C#CCN2CC[C@H]3CCC[C@H]32)cc1 426468382 FOXRUYJNJJQSPH-GDBMZVCRSA-N 293.332 3.931 30 20 CHED C[C@@H]1CN([C@H](C)c2cccc(C#N)c2)Cc2ccccc2O1 429132325 ZITBZJFKANGXGW-HUUCEWRRSA-N 292.382 3.902 30 20 CHED C=CCN(CCC#N)Cc1ccc(-c2ccc(F)cc2)o1 430081023 ADLZQFMHJLTFTI-UHFFFAOYSA-N 284.334 3.987 30 20 CHED C=CCN(CCC#N)[C@H]1CC[C@](C)(c2ccccc2)C1 430089723 LEWFLBLCIDEPDM-ROUUACIJSA-N 268.404 3.898 30 20 CHED CCC[C@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)C(C)C 434011013 GXFRMGNVTDWQCD-UONOGXRCSA-N 264.413 3.599 30 20 CHED N#Cc1cc(Cl)ccc1CN(C#N)c1cccc(F)c1 435655481 ORVIACAMGBXFOS-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1c(C)cccc1C 438450824 GMXGANMKGJQYQT-MAUKXSAKSA-N 289.419 3.709 30 20 CHED CCc1ccc([C@H](C)C(=O)N(C)c2ccc(C#N)cc2)cc1 439940055 VORCZUFWPGUTPD-AWEZNQCLSA-N 292.382 3.887 30 20 CHED CSCC[C@H](C)N(C)CC#Cc1cccc(Cl)c1 440607635 FQCFWZVSLNNJIA-ZDUSSCGKSA-N 281.852 3.765 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2csc(-c3ccccc3)n2)C1 442637360 ORVUCHOGFGYEDW-UKRRQHHQSA-N 297.427 3.634 30 20 CHED Cc1nc(S[C@@H](C)c2cccc(C#N)c2)nc(O)c1C 442902377 SCCUFYQCLUEFGP-NSHDSACASA-N 285.372 3.524 30 20 CHED CC(C)CSCCCN1CCCC(C)(C)[C@@H]1C#N 444734027 YCULRZVZRXOBKU-AWEZNQCLSA-N 268.470 3.780 30 20 CHED C=C(C)CCNC1CCN([C@H]2CCCC[C@H]2C)CC1 449471327 CBVATTFHMOUHLR-WBVHZDCISA-N 264.457 3.585 30 20 CHED C[C@H](CC#N)N(C)CCc1c(Cl)cccc1Cl 450488187 XFILDXYOYCMTAK-SNVBAGLBSA-N 271.191 3.770 30 20 CHED Cc1cccnc1CCCNc1ccc(C#N)c(Cl)c1 450722599 DCPCLVLPIVZILD-UHFFFAOYSA-N 285.778 3.960 30 20 CHED C=CCCc1noc(-c2cccn2C2CCCC2)n1 453224998 CRWZVFGLZBNPQK-UHFFFAOYSA-N 257.337 3.772 30 20 CHED C=CCCc1noc(CCCc2c[nH]c3ccccc23)n1 453249432 TVLZAKUFUSBERP-UHFFFAOYSA-N 281.359 3.845 30 20 CHED C=C(C)CCNC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 454960430 NQVICYFAVYRAIH-VXGBXAGGSA-N 292.345 3.621 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(C)cc(C#N)c1 455998787 JTMAAWOARBQJSQ-SWLSCSKDSA-N 271.364 3.519 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 456428096 MTAZJBCQNSGQCP-BDJLRTHQSA-N 297.320 3.810 30 20 CHED CC[C@@H](NC(=O)CCc1ccc(C#N)cc1)C1CCCC1 456677139 BSFMSFDAQPUIPM-QGZVFWFLSA-N 284.403 3.576 30 20 CHED CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C 459774162 VUANYKDTOVRYKL-KBPBESRZSA-N 292.448 3.692 30 20 CHED C[C@H](C#N)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 461980512 BWJJVEISRXJAHU-GFCCVEGCSA-N 290.794 3.775 30 20 CHED C[C@H](C(=O)NC1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 462125159 BAOCEBSYDPTWSM-MCIONIFRSA-N 284.403 3.603 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1oc2ccccc2c1C 464749692 FCHAIONVHXFIHK-JQWIXIFHSA-N 272.348 3.676 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 467414262 SGGMLVXXRPYYJV-BPQIPLTHSA-N 272.436 3.766 30 20 CHED C=CCCCCNC(=O)CCc1c[nH]c2c(C)cccc12 471703293 TXRFDCIIPMKORD-UHFFFAOYSA-N 284.403 3.881 30 20 CHED CC(C)(C)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 472139001 VEZWNOPZYKNURJ-GDBMZVCRSA-N 256.393 3.766 30 20 CHED C=CCC[C@H](O)CN(Cc1cccc(F)c1)C1CCCC1 472759373 ZMJHKMIJBWMFAU-SFHVURJKSA-N 291.410 3.897 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CC[C@H](C)C1)c1ccccc1 474111943 GFFRWVSHGMYPHD-LZWOXQAQSA-N 257.377 3.651 30 20 CHED C=C(C)COc1cccc(N[C@H](C)[C@H]2CCCOC2)c1 474383737 FCMQNDJZCDGOBN-CABCVRRESA-N 275.392 3.869 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CC[C@H](C)C1)c1ccccc1 478129295 BVRBPSVXQCUTIE-ZOBUZTSGSA-N 271.404 3.899 30 20 CHED N#Cc1cccc(N2CCC(c3cccc(Cl)c3)CC2)n1 480775448 POIBWYRIMJMBQL-UHFFFAOYSA-N 297.789 3.991 30 20 CHED CC[C@@H](C#N)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 484358690 STEPBZSWOJTYHH-FCCIYARUSA-N 288.435 3.791 30 20 CHED C=CCC(C)(C)CNC(=O)CCCc1ccc(OC)cc1 489863581 ZODFFGGFZNMJKC-UHFFFAOYSA-N 289.419 3.736 30 20 CHED CN(CC#Cc1ccc(F)cc1)Cc1cccc2[nH]ccc12 494081668 ZYUOJLKGLOHKHQ-UHFFFAOYSA-N 292.357 3.791 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(F)c(F)cc1F 495180866 BBKQKIKUBVNWKC-UHFFFAOYSA-N 295.304 3.928 30 20 CHED C=CCN(C(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 497593673 GVDBVDCKOAKSML-UHFFFAOYSA-N 296.395 3.872 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](C)[C@H](C)CC)c1 502965289 BNMSIHBPLFNIDJ-CHWSQXEVSA-N 261.365 3.872 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H](C)CC(C)C 506652579 PATUPIMNQDNOQX-MRXNPFEDSA-N 288.435 3.861 30 20 CHED CC1(C)CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 510066676 RZZIACMVWXDDDB-NSHDSACASA-N 291.782 3.912 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 511897599 UEFOEYZZNSKZCQ-BBWFWOEESA-N 266.388 3.558 30 20 CHED CCC[C@H](NC[C@@H](C#N)CCC#N)c1ccc(F)cc1F 514932729 KZEBVAUCFMQQEW-WBMJQRKESA-N 291.345 3.839 30 20 CHED Cc1c(C#N)c(SC2CCCC2)nc2c1CCC2 516834939 VEJUNGDUEXYSGP-UHFFFAOYSA-N 258.390 3.785 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 521828001 JCROFPMWVDYFEI-SGMGOOAPSA-N 286.375 3.578 30 20 CHED C[C@H](NC(=O)[C@H](C)C#N)c1ccc(Oc2ccccc2)cc1 522995751 GIDXAKXEBSOTEO-KGLIPLIRSA-N 294.354 3.816 30 20 CHED C=CC1CCN(C(=O)NC[C@@H](C)c2cccc(C)c2)CC1 525492386 RTFKPMBXPBQLEI-OAHLLOKOSA-N 286.419 3.706 30 20 CHED C=CCCNc1cc(Cl)ccc1O[C@H](C)COC 526047410 DJTWHLQYSMQWND-LLVKDONJSA-N 269.772 3.742 30 20 CHED C=CCCC1(C(=O)N(C)c2ccc(F)c(F)c2)CC1 526987091 XWBLBQYEAOIPAX-UHFFFAOYSA-N 265.303 3.674 30 20 CHED CC1(C)COc2cc(NCc3ccccc3C#N)ccc21 527745436 QQAVWRHPEPKTJF-UHFFFAOYSA-N 278.355 3.840 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@H](CC(C)C)C1)OCC 533696243 RIGXOHBSZMJFQZ-HZPDHXFCSA-N 281.440 3.642 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ncc(C(C)(C)C)s1)OCC 534422560 NVFVYWDPMLDMCN-NSHDSACASA-N 296.436 3.750 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@@H]1C(C)C)c1ccccc1 536156840 DLDPZRXPNPDPKL-DOTOQJQBSA-N 271.404 3.993 30 20 CHED CC(C)[C@H]1CCc2ccccc2N1CC1(C#N)CC1 537412457 VBKJCHGITWMPOM-OAHLLOKOSA-N 254.377 3.768 30 20 CHED CN(C)c1ccccc1CSc1ccccc1C#N 537430607 UKUSXEYCSVUNBM-UHFFFAOYSA-N 268.385 3.917 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@H](C)c1ccc(F)cc1 538610724 QIIUUMKFJOPMMQ-SWLSCSKDSA-N 278.371 3.583 30 20 CHED C=CCC[C@H](NCCOc1ccc(F)cc1)C1CC1 540119093 GNYMHAGWOGHPAJ-INIZCTEOSA-N 263.356 3.539 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Nc1cccc(C#N)c1 541585217 URUQDTRGDPJCSM-GFCCVEGCSA-N 258.365 3.959 30 20 CHED COC[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543869758 DRUKDMOIRGWSPM-CABCVRRESA-N 294.398 3.911 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1ccc(F)c(Cl)c1 545252997 UZYYBJYCAARCAU-LLVKDONJSA-N 299.773 3.719 30 20 CHED C=CCCCc1nc(-c2ccc(OC)c(C)c2)no1 545790641 PNVKVMXHPBJIDW-UHFFFAOYSA-N 258.321 3.562 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)OCC(C)C 548421281 QSSWPPQMPURCAH-INIZCTEOSA-N 289.419 3.652 30 20 CHED C=CCCN(Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 549187336 LSUJTNKMVLGIAJ-CQSZACIVSA-N 289.419 3.880 30 20 CHED Cc1cc(CN(C)CCOc2ccccc2C#N)ccc1F 552051108 HWSIKYAPGXYCJL-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C=CCC[C@H](CCC)N[C@@H](c1nccn1C)C1CC1 552087578 LDAUWMMBTVCWRL-LSDHHAIUSA-N 261.413 3.596 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3ccncc3)C2)CCCCC1 568881310 NIEMEQGWTZHZFB-KRWDZBQOSA-N 298.430 3.924 30 20 CHED CC#CCN(Cc1cccc(C(F)(F)F)c1)C(C)C 572176336 WEFJXVFHCVRCME-UHFFFAOYSA-N 269.310 3.939 30 20 CHED C=CCCC1(c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)CC1 573643977 MTLWTFYBXDHMOG-UHFFFAOYSA-N 299.330 3.951 30 20 CHED N#Cc1ncccc1SC[C@H]1CCCCC1(F)F 574769770 BROGNRXAQRGATG-SNVBAGLBSA-N 268.332 3.871 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C)c(C(C)=O)c1 576170232 DHDKPGRJPDDBGV-UHFFFAOYSA-N 259.349 3.738 30 20 CHED CCCN(c1cc(C#N)ncn1)[C@@H](CC)c1ccccc1 578588567 NTUHSRQIZLJGLM-INIZCTEOSA-N 280.375 3.716 30 20 CHED CSc1cc(NCC(C)(C)CCC#N)nc(SC)n1 579258390 LEHCVFYJFFLUSP-UHFFFAOYSA-N 296.465 3.662 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@H](C)C[C@H]1CC 579410803 YERBJTNHLWSIGK-UKRRQHHQSA-N 288.439 3.747 30 20 CHED CC(C)n1cc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cn1 582994183 OGSAFEWLMKSDRZ-SCLBCKFNSA-N 294.402 3.674 30 20 CHED CC(C)(C)[C@H](Nc1cc(C#N)ncn1)c1ccc(F)cc1 584698284 WROSKSLVMYUHHC-OAHLLOKOSA-N 284.338 3.687 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)CCCCCC#N 588345844 XNXJMTPFCIWDCE-HUUCEWRRSA-N 264.413 3.936 30 20 CHED CC(C)c1ncsc1C(=O)N[C@@H](C)c1cccc(C#N)c1 590672861 COCMZUKXHPCXQV-NSHDSACASA-N 299.399 3.629 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)cc2F)cs1 590777878 PIZJBMXDXDVRQU-LLVKDONJSA-N 274.364 3.918 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)CC#N)c1c(Cl)cccc1Cl 591169296 IBIVYZAEFUCIRI-UWVGGRQHSA-N 299.201 3.857 30 20 CHED Cn1nc(C(F)(F)F)cc1-c1ccccc1C1(C#N)CC1 592987755 AUALOZHYXDRGSW-UHFFFAOYSA-N 291.276 3.661 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 596448105 UYEYGLKJMQXKMA-JTQLQIEISA-N 295.745 3.637 30 20 CHED COc1ccc(F)c(NC(=O)CC2(C#N)CCCCC2)c1 597369775 SIBULXMFGFBOEW-UHFFFAOYSA-N 290.338 3.637 30 20 CHED CC[C@H](C(=O)N1CCC[C@@H](CC#N)C1)C1CCC(C)CC1 597904486 HFOVMEGIDVWVBT-XGHPGWEVSA-N 290.451 3.991 30 20 CHED Cc1c(C(=O)N2CC[C@H]3C[C@@H]3C2)sc2ccc(C#N)cc12 598329560 KASMRSFDPBVBCA-QWHCGFSZSA-N 296.395 3.563 30 20 CHED CCN(C(=O)[C@@H](C)c1c(Cl)cccc1Cl)[C@@H](C)C#N 598355467 CZPXZEIAQHOONA-UWVGGRQHSA-N 299.201 3.857 30 20 CHED COc1ccc(CC[C@@H](C)NC[C@@H](C)CCC#N)cc1 602523649 DSSXYCNOVYRNFR-LSDHHAIUSA-N 274.408 3.546 30 20 CHED Cc1ccc(OC(F)F)c(CNC[C@H](C)CCC#N)c1 602565852 AUWSFKJJPOVBCC-GFCCVEGCSA-N 282.334 3.626 30 20 CHED CC(C)(c1ccccc1)C1(NCc2cccc(C#N)n2)CC1 602682438 SDIFFHPQSNSUMB-UHFFFAOYSA-N 291.398 3.553 30 20 CHED CC[C@@H](NCc1cccc(C#N)n1)c1cc(C)ccc1C 602726200 WGIXJBDAPPMODX-GOSISDBHSA-N 279.387 3.811 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccnc(C#N)c2)CCCC1(C)C 603125833 MFLIQUYFEKGMMY-OAHLLOKOSA-N 298.390 3.552 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@H]2CCCC[C@H]21 603621271 DOOVJCKCDGRVFH-COXVUDFISA-N 282.387 3.599 30 20 CHED C=CC[C@@H](C)NC(=O)NCCC(C)(C)c1ccccc1 604895691 GOLKNYCQAOEWPJ-CQSZACIVSA-N 274.408 3.618 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OCC)c(OCC)c1 604904109 OZATULUZGFZCEH-GFCCVEGCSA-N 292.379 3.570 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 606881503 QCHXDUXTECQVSJ-UHFFFAOYSA-N 297.402 3.895 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)CCC#N)CCCC2)cc1 609379356 AVRNRLXDJJYNNJ-UHFFFAOYSA-N 298.430 3.994 30 20 CHED Cc1ccc(CCCNC(=O)c2ccc(C#N)s2)c(C)c1 610520200 MYVKSNFVLXCWAD-UHFFFAOYSA-N 298.411 3.599 30 20 CHED N#Cc1cccc(CNC(=O)N(C2CCCCC2)C2CC2)c1 610842399 UGPWPHVMCXHVBC-UHFFFAOYSA-N 297.402 3.565 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2ccc(Cl)s2)C1 617778457 GXVSPLCWSBPLKQ-LLVKDONJSA-N 283.824 3.759 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H]1c1ccc(F)cc1 618047287 OTBJHZMZVMVVHA-INIZCTEOSA-N 273.351 3.868 30 20 CHED COc1ccsc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618802487 DXYOVNHUBDCRDB-XHDPSFHLSA-N 298.411 3.966 30 20 CHED C[C@@H](Cc1ccsc1)N[C@@H]1CCc2cc(C#N)ccc21 618805840 PHMWZVVFYFOMQY-YVEFUNNKSA-N 282.412 3.828 30 20 CHED COc1cc(N[C@H](C#N)Cc2ccccc2)c(C)cc1C 619468441 SZZVFGAGWLFIJE-INIZCTEOSA-N 280.371 3.859 30 20 CHED Cc1cc(F)ccc1CNCc1ccc(C#N)c(Cl)c1 619748493 GTGCCWAOHJOGER-UHFFFAOYSA-N 288.753 3.949 30 20 CHED C=CC(C)(C)C(=O)N1CCC2(C=Cc3ccccc3O2)CC1 620721433 DWTLHODYORCDNK-UHFFFAOYSA-N 297.398 3.666 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)OCc1ccc(F)cc1 620856389 WEZHRVVMTSUHIG-ZDUSSCGKSA-N 293.382 3.592 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(F)c(F)c1F 620858716 PJDBJCFEBFTJEF-UHFFFAOYSA-N 271.282 3.579 30 20 CHED C=CCC1(C(=O)Nc2ccnc3cc(C)nn23)CCCCC1 621079983 SWTNESGMCSONHG-UHFFFAOYSA-N 298.390 3.503 30 20 CHED C=CCCOc1ccccc1-c1cccc([C@@H](CO)NC)c1 629736829 XPORMGURQWTOHC-GOSISDBHSA-N 297.398 3.561 30 20 CHED CCC(=O)c1c(Cl)cccc1N(C)C[C@H](C)C#N 634798232 ORJDJZDCXGDEJL-SNVBAGLBSA-N 264.756 3.529 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](CC)c1ccncc1 664207046 AKKROKQFRGKDJW-CQSZACIVSA-N 275.396 3.577 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](CC)c2ccncc2)C1 664208704 NRIYFAWUSSUXMJ-GOEBONIOSA-N 287.407 3.530 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1c(C)oc(C)c1C 670818137 YIWDWYAVQSDRST-UHFFFAOYSA-N 287.359 3.669 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(OC)cc1Cl 678881384 JMWUDZKVSHNCJH-LLVKDONJSA-N 281.783 3.823 30 20 CHED N#Cc1ccc(NCCc2ccoc2)cc1Br 692679423 NNLGFKIWVIZSFZ-UHFFFAOYSA-N 291.148 3.568 30 20 CHED C[C@@H](CN[C@@H](C)CC(C)(C)C#N)COCc1ccccc1 695840477 BSOFWRBIRBIQJX-HOTGVXAUSA-N 288.435 3.757 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc(SC)ccc1Cl 704362679 HJTYBRFQQZBYFS-SNVBAGLBSA-N 281.808 3.594 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1ccccc1C 726739707 SESIYNWJOVMTGF-UHFFFAOYSA-N 292.342 3.881 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])ccc1O 728231986 PLORLBZRYGHAFP-TWGQIWQCSA-N 283.283 3.505 30 20 CHED C=CCCOC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 729074245 MFNHOIHXBQPPNB-OLZOCXBDSA-N 295.176 3.672 30 20 CHED C=CC1CCN(CC(=O)Nc2ccc3ccccc3c2)CC1 732205926 ICYYFRHXYZNDQY-UHFFFAOYSA-N 294.398 3.676 30 20 CHED C#CCCCOC(=O)[C@H](CC)Sc1ccccc1 732496845 DEWYZTPJMHTMPJ-AWEZNQCLSA-N 262.374 3.514 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc(F)cc1Cl)C(C)C 733095102 WHPRYLQAODCCBW-NSHDSACASA-N 299.773 3.669 30 20 CHED C[C@@H]1CCCC[C@H]1N1CCC(=NNc2ccccn2)CC1 733906207 AHOFAYDTTFWGCH-GDBMZVCRSA-N 286.423 3.524 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1cncs1 734748204 LQPUCYDTESHZKT-UHFFFAOYSA-N 269.732 3.772 30 20 CHED C=CCCCOC(=O)c1cc(F)ccc1Br 735528447 RMGWQDZOSSBVNR-UHFFFAOYSA-N 287.128 3.711 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1ccc(F)cc1Cl 735983991 XWXIRARGMHCEEK-VIFPVBQESA-N 286.803 3.580 30 20 CHED C=C(C)COC(=O)c1nc(-c2ccccc2F)oc1C 738664828 JFOUKLWNKLNNKJ-UHFFFAOYSA-N 275.279 3.522 30 20 CHED O=C(O)C1CCC(/N=C/c2c(O)ccc3ccccc23)CC1 739559891 INFTXASDPQFSMQ-YBFXNURJSA-N 297.354 3.608 30 20 CHED C=CCCCNc1ccc(/C=C\C(=O)OCC)cc1 740873108 OUOBVAXFITUJIP-XFXZXTDPSA-N 259.349 3.641 30 20 CHED Cc1nc(SCCOc2ccccc2C#N)sc1C 741859564 RWPZAOBOKKLDFK-UHFFFAOYSA-N 290.413 3.803 30 20 CHED C#CCN(CC#CC)C(=O)c1ccc(C2CCCCC2)cc1 742004742 TXKGKLADPNRLLK-UHFFFAOYSA-N 293.410 3.833 30 20 CHED C#CCCCNC(=O)C1(c2ccc(F)cc2)CCCCC1 742786524 BCVSBPFQMWXHKF-UHFFFAOYSA-N 287.378 3.557 30 20 CHED C[C@H](NC(=S)Nc1ccccc1F)c1cccc(C#N)c1 743059208 CNCAXNXBNHCKOK-NSHDSACASA-N 299.374 3.745 30 20 CHED COCc1cccc(C=NNc2ccc(F)cc2F)c1 743417434 IXBOJCZRZHOTAJ-UHFFFAOYSA-N 276.286 3.557 30 20 CHED C=C(C)CCOC(=O)CCC(=O)c1ccc(Cl)cc1 744303798 XAEOKYYJYRVXMS-UHFFFAOYSA-N 280.751 3.812 30 20 CHED CO[C@]1(C)C[C@H](/N=C\c2cc(Cl)ccc2O)C1(C)C 745976828 NFFVEFWLDOWVAX-LVFRSWPXSA-N 281.783 3.668 30 20 CHED CCCCCCCN1CCC(OCCN2CCCC2)CC1 745990941 LQTOIQHDRGPQNJ-UHFFFAOYSA-N 296.499 3.534 30 20 CHED C#Cc1cccc(N(C)Cc2ccn(C(CC)CC)n2)c1 746488557 ZVOWQXFWFTWJLI-UHFFFAOYSA-N 281.403 3.862 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=Cc1c[nH]c2ccccc12 747062007 QQHCWYIZUQGWMN-UHFFFAOYSA-N 294.314 3.831 30 20 CHED C#CC[C@@H](OC(=O)Cc1c[nH]c2cc(C)ccc12)C(C)C 747189656 ONIXDTPLPWWBJT-QGZVFWFLSA-N 283.371 3.610 30 20 CHED CC(C)CCSCC(=O)OCc1cc(C#N)ccc1F 748801526 YQWFTQOEMDQGBF-UHFFFAOYSA-N 295.379 3.520 30 20 CHED C[C@H](CC#N)OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 751842618 IOBVSZHZZOVPCZ-SNVBAGLBSA-N 298.317 3.710 30 20 CHED C#CCN(CC)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 752699879 KJIMDXOLQTZMCY-SFHVURJKSA-N 298.430 3.973 30 20 CHED C#C[C@H](CC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 754676993 ZFUFBCBYVGCBJQ-SSDOTTSWSA-N 290.577 3.788 30 20 CHED C=CCC[C@H](NCC1CCC(CCC)CC1)C(=O)O 756389971 UBLRJYRDUIYOFY-NRXISQOPSA-N 267.413 3.602 30 20 CHED CC(=NOCc1ccccc1)c1cc(F)cc(F)c1O 757460158 PFRDFWPZSDJIIB-UHFFFAOYSA-N 277.270 3.611 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 758677929 AYQCOVAXQZEJOJ-OAHLLOKOSA-N 298.430 3.729 30 20 CHED C#CCCCC(=O)OCC(=O)c1ccc(Cl)cc1Cl 759183812 YGPORAZVEZKGEU-UHFFFAOYSA-N 299.153 3.523 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(O[C@H](C)CC)cc1 761411939 WQAFZZDDMGWDRQ-CYBMUJFWSA-N 290.359 3.556 30 20 CHED CC(C)(C)c1ccc(C=NOCC(F)(F)F)cc1 764836572 XAPMNPINUUCJOG-UHFFFAOYSA-N 259.271 3.897 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 765837815 VHJUMCKWOMUXCF-JENIJYKNSA-N 290.495 3.975 30 20 CHED N#Cc1ccc(C(=O)OCCC(Cl)(Cl)Cl)s1 767560895 LGPFUAJRJLPWIW-UHFFFAOYSA-N 298.578 3.537 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)CCc1ccco1 767984024 SRPBUCXSGDLJGZ-UHFFFAOYSA-N 297.354 3.757 30 20 CHED Cc1ncsc1C=NNc1c(F)cccc1Cl 769826799 JJBBVBVKAWJCJJ-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(Cl)cc1Br 769961192 PWSJNIFJICYROW-SECBINFHSA-N 286.600 3.556 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1ccc([N+](=O)[O-])cc1F 773126902 WRQCJOYITUBODO-AWEZNQCLSA-N 293.342 3.626 30 20 CHED C=CCCOCCN[C@@H](CC)c1cc(Cl)ccc1O 775523817 NPIMGSKDHMEAOK-AWEZNQCLSA-N 283.799 3.679 30 20 CHED N#C[C@H](OC(=O)c1c(F)cccc1F)C1CCCCC1 776359303 GYPTZTHEQDJBRX-ZDUSSCGKSA-N 279.286 3.594 30 20 CHED C#CCOc1cc(F)ccc1N[C@@H](C)c1cccc(C#N)c1 777120014 SEYHWJGVQVODMF-ZDUSSCGKSA-N 294.329 3.882 30 20 CHED CC(C)(C)CC(=O)N1CCC(=NOC2CCCCC2)CC1 777456820 HSCYPUWMVXHZBM-UHFFFAOYSA-N 294.439 3.750 30 20 CHED C(=NOC1CCCCC1)c1ccc2ccccc2n1 777456863 IEBBGUBKSRJGQB-UHFFFAOYSA-N 254.333 3.918 30 20 CHED C=CCN(CCc1ccco1)CCc1cccs1 778996360 MJTYPIRPYKCNKK-UHFFFAOYSA-N 261.390 3.614 30 20 CHED COc1ccc(NN=C2CCC[C@@H]2Cc2ccccc2)nc1 780265969 WSSLZSMBSIRCCK-OAHLLOKOSA-N 295.386 3.901 30 20 CHED N#CC1(COC(=O)/C=C/c2ccc3[nH]ccc3c2)CCCC1 780528532 FVISJECCWJBJDW-GQCTYLIASA-N 294.354 3.808 30 20 CHED CC(C)(C#N)CCCOC(=O)c1c[nH]nc1-c1ccccc1 782622869 ZCBMZPNKOOJGBM-UHFFFAOYSA-N 297.358 3.563 30 20 CHED C[C@H](N[C@H](C)CCO)c1ccc(-c2cccc(C#N)c2)cc1 782779001 WDEQTHLWDFCGFR-CABCVRRESA-N 294.398 3.647 30 20 CHED C=CCCCCNCc1ccc([N+](=O)[O-])c(Cl)c1 783676499 KRNCXDBLBLKRIW-UHFFFAOYSA-N 268.744 3.694 30 20 CHED CCCCCCCCNC(=O)NCC[C@@H]1CCO[C@@H](C)C1 784388764 OKLGORVSXSTJSJ-JKSUJKDBSA-N 298.471 3.851 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCSC(C)(C)C 785862963 KDZHGEARJDUFDG-ZDUSSCGKSA-N 269.454 3.865 30 20 CHED C#CCCCCC(=O)OC[C@H]1CCC2(CCCCC2)O1 786303619 MYLHNGORPMUXST-OAHLLOKOSA-N 278.392 3.605 30 20 CHED CC(C)c1ccc(C(=O)OCCCC#N)cc1Cl 786391146 LIYKODTVVWBCHM-UHFFFAOYSA-N 265.740 3.924 30 20 CHED N#CC1(C(=O)OCc2cc(Cl)ccc2F)CCCCC1 787676403 VJKGZMAWKQMAGE-UHFFFAOYSA-N 295.741 3.996 30 20 CHED C#CCC1(C(=O)N(C)Cc2cccc(F)c2)CCCCC1 788129615 HWENGOAJOYDOBC-UHFFFAOYSA-N 287.378 3.758 30 20 CHED CC[C@@H](C)NN=Cc1cc(Cl)cc(Cl)c1OC 790183504 TUMLXZKHOXNNJT-MRVPVSSYSA-N 275.179 3.724 30 20 CHED C=CCCCCC[C@H](C)NCC1(C)CCN(C)CC1 793552929 LYKXPKOCRSPFPO-INIZCTEOSA-N 266.473 3.833 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 795751845 SZNLJTGKVUBXTO-IXDOHACOSA-N 290.451 3.991 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc(N(C)C)cc1 797278169 MMJCIBMNVMMHGQ-WQLSENKSSA-N 295.382 3.966 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1cccc(OCC)c1 798375759 NKHDBTSSZHHTJE-LBPRGKRZSA-N 278.421 3.726 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1ccc(C(C)=O)cc1 799444070 IBOGZIOFZFNDMC-UHFFFAOYSA-N 293.322 3.542 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cnn(-c3ccccc3Cl)c2)C1 799722314 MLMBMDQZFIPXGO-NEPJUHHUSA-N 286.766 3.630 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@H]3C[C@H]32)c1 800974298 JJIOCNXPPMGWNR-CWLKWCNXSA-N 284.403 3.646 30 20 CHED C[C@@H](C#N)OCCN(CC1CCC1)[C@H](C)c1ccccc1 801922823 POAWBMYLDLJVIA-JKSUJKDBSA-N 286.419 3.778 30 20 CHED C[C@H](C(=O)OCCCSCC#N)c1cccc(Cl)c1 805467153 NYFJBJYZSQJBAR-NSHDSACASA-N 297.807 3.634 30 20 CHED CC(C)Cc1ccccc1C(=O)NCC(C)(C)CCC#N 807723174 XCKQMQWUIKTEFG-UHFFFAOYSA-N 286.419 3.945 30 20 CHED C=CCCCCCCCCNC(=O)c1cc(C)nnc1C 807845374 YAJROGQEIMUCIO-UHFFFAOYSA-N 289.423 3.740 30 20 CHED CC(=NN[C@H]1CCSC1)c1ccc(C(F)(F)F)cc1 808002401 JMDYXPJQSBQXAH-LBPRGKRZSA-N 288.338 3.525 30 20 CHED C#C[C@H](NCc1ccc(C(F)(F)F)s1)C(C)(C)C 809783257 WORRUXYIZDPVHG-JTQLQIEISA-N 275.339 3.904 30 20 CHED C=CCCCCCCCNC(=O)c1cccc2nccnc12 811590685 FGDWMXORJQEGFF-UHFFFAOYSA-N 297.402 3.886 30 20 CHED Cl/C=C\CON=Cc1cnc(-c2ccco2)s1 811672143 RJFKNSWNIIRKBV-XCDHHBBJSA-N 268.725 3.506 30 20 CHED Cc1cc(/C=C2/Cc3ccc(C#N)cc3C2=O)ccc1C#N 811693431 IKNXCZQXPNKCPE-IDUWFGFVSA-N 284.318 3.561 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(OC)c(O)c2)s1 811699669 YBXKYTRTUJLSIA-FPLPWBNLSA-N 288.368 3.921 30 20 CHED CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=NOC1CCC1 812237172 NTNJKBDKEMARQN-ZDUSSCGKSA-N 296.411 3.721 30 20 CHED C[C@@H]1CC(CCOC(=O)CCCC#N)C[C@@H](C)C1 812615444 GJXLVLVDUWLUCC-STQMWFEESA-N 251.370 3.686 30 20 CHED Cc1sccc1C=NNc1nc(-c2ccccc2)no1 814829152 KGGSPLKOTFDQQO-UHFFFAOYSA-N 284.344 3.553 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1cc(N)ccc1F 814868317 ZYUKECRSYIRSFR-UHFFFAOYSA-N 291.757 3.575 30 20 CHED CSc1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)s1 814893616 XWJCCPRKLARWLU-NHCYSSNCSA-N 266.435 3.582 30 20 CHED CC(=NOC1CCCC1)c1ccc(-n2c(C)cnc2O)cc1 814895152 VTWNGTXUYHGRHU-UHFFFAOYSA-N 299.374 3.570 30 20 CHED Fc1cc(F)cc(C2CC(=NNCC3CCCC3)C2)c1 814933493 PPVBSDSYGAZHNU-UHFFFAOYSA-N 278.346 3.978 30 20 CHED Fc1ccc(C=NNc2ccc(F)c(F)c2F)c(F)c1 814945156 NYMPVLAGYBMHAW-UHFFFAOYSA-N 286.203 3.828 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OC(C)C)cc1C 815068421 PGDXAEURNBPEBT-UHFFFAOYSA-N 283.318 3.932 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H](c2ccccc2)C1 817107990 TZNSTTUUZGAQAM-AWEZNQCLSA-N 279.330 3.604 30 20 CHED CCN(CC)c1ccc(C=NN[C@@H](C)c2ccncc2)cc1 819816317 ZIJZXBDYPKQZIR-HNNXBMFYSA-N 296.418 3.613 30 20 CHED C=CCC1(CN[C@H](C)C[C@H]2CCOC2)CCCC1 825079460 UZLZZGPMGWPASZ-HUUCEWRRSA-N 251.414 3.528 30 20 CHED C=C(CC)CSCc1ccc(C(=O)O)c(F)c1 833370068 JNZZJZADPPIHPO-UHFFFAOYSA-N 254.326 3.723 30 20 CHED CC(C)c1ccc(C(=O)/C=C\c2cnc(N(C)C)nc2)cc1 834409415 VTNDJFPFAYJOFD-YHYXMXQVSA-N 295.386 3.562 30 20 CHED Cc1cnc(CNc2ccc(OC(C)(C)C)c(C#N)c2)o1 834636695 WVEVGMKHCMQEIE-UHFFFAOYSA-N 285.347 3.644 30 20 CHED C=CCONC(=O)CC(C)(C)Cc1ccc(Cl)cc1 837047556 BTGSVHKFPZVIKR-UHFFFAOYSA-N 281.783 3.533 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C#CC1CC1 837496074 VJNJFBVTINXWIC-GFCCVEGCSA-N 290.432 3.508 30 20 CHED C=CCCCCOC(=O)c1cc(O)nc2cc(F)ccc12 837534508 MYAZSFCKHNIGHK-UHFFFAOYSA-N 289.306 3.593 30 20 CHED O=C(C#CC1CC1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 837542607 MQUKLZDFFUUHIW-QRVBRYPASA-N 293.410 3.585 30 20 CHED Cc1ccc(COC(=O)[C@@]2(C#N)CC23CCCC3)cc1C 837904053 VXNNQKCGTFVYTM-SFHVURJKSA-N 283.371 3.821 30 20 CHED C#CCC[C@H](C)OC(=O)/C(C)=C/c1ccc(OC)c(F)c1 839042316 JWQKORGNQLOKOC-XSNHNAGMSA-N 290.334 3.583 30 20 CHED Cc1ccc(SCC(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839044664 TTXPIHFVOPLWFI-UONOGXRCSA-N 289.400 3.713 30 20 CHED C=CC[C@@H](NC(=O)N1CC[C@H](C2CCC2)C1)c1ccncc1 840301475 VBYBXHZRRJCAKP-DLBZAZTESA-N 299.418 3.530 30 20 CHED CCOC1CC(CC(=O)OCCC2(C#N)CCCCC2)C1 840484116 OZILDQTZLDHSTP-UHFFFAOYSA-N 293.407 3.599 30 20 CHED Cc1cccc(C)c1OCCOc1cccc(OCC#N)c1 842108754 RVSGVBFXXKEKDC-UHFFFAOYSA-N 297.354 3.664 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@H]1C[C@H]2CC[C@H]1O2 847744295 APCRKAROGODPJD-NWHWRWDZSA-N 292.419 3.868 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CCC(=O)[C@H](C)C1 847744770 WZRWWESWYBUWSY-WVCIDPQESA-N 292.419 3.916 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)cc1C 849242354 ZDSBFLPEIPJTLO-HJWRWDBZSA-N 280.371 3.810 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cnc2ccccc2c1 851204553 BKWUQVFXSBAMBY-LBPRGKRZSA-N 282.343 3.720 30 20 CHED Cc1nsc(Nc2ccc3c(c2)[C@@H](O)CCCC3)c1C#N 853813349 SXJCJIIBKFDAAE-HNNXBMFYSA-N 299.399 3.827 30 20 CHED C#CCCCCCC(=O)Nc1ccc(O)cc1Cl 855136204 AGFHMIDOAURAMO-UHFFFAOYSA-N 265.740 3.568 30 20 CHED C[C@]1(C(=O)OCc2ccc(F)cc2C#N)C[C@H]2CC[C@H]1C2 860187088 HINBOFVYNSQEIE-YLVFBTJISA-N 287.334 3.567 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1cccs1 864026964 NMUIZQOPQKCCKD-UHFFFAOYSA-N 264.781 3.915 30 20 CHED CCCCCCC[S@](=O)Cc1cccc2c1CCOC2 864482810 HLHGPHMGEIOLOC-FQEVSTJZSA-N 294.460 3.978 30 20 CHED Cc1c(NN=C[C@H]2CCC(F)(F)C2)cccc1C(=O)O 872387056 JWOYWZGDCIBTPC-JTQLQIEISA-N 282.290 3.526 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 875902146 ZRLQHWCOXDEEDX-CQSZACIVSA-N 278.783 3.545 30 20 CHED CCC/C(C)=C\C(=O)Nc1cc(C#N)c(F)cc1F 876346964 YFUHNNPDEUALFS-UITAMQMPSA-N 264.275 3.521 30 20 CHED C=C1CCC(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 888147254 KUDSNYXPZXEFOE-UHFFFAOYSA-N 290.310 3.847 30 20 CHED C=C1CCC(C(=O)N[C@@H](CC)c2c(C)noc2C)CC1 889728559 AKKDFGVBCWDPBX-AWEZNQCLSA-N 276.380 3.605 30 20 CHED C=CCC1(c2nc(-c3ocnc3C)no2)CCCCC1 896321397 OBYRZBQNPRKKJE-UHFFFAOYSA-N 273.336 3.811 30 20 CHED C=C1CC(c2noc(-c3cc(C)n([C@@H](C)CC)n3)n2)C1 896884307 PEESOZFRCBFGAF-JTQLQIEISA-N 272.352 3.646 30 20 CHED N#CC1(CCCC[S@](=O)Cc2ccc(F)cc2)CCC1 899385529 HBCZLALQIUCXEO-FQEVSTJZSA-N 293.407 3.939 30 20 CHED CC(C)Cc1ncc(C(=O)Nc2sccc2C#N)s1 901302058 ZMPLSIRNYWNXOV-UHFFFAOYSA-N 291.401 3.527 30 20 CHED Cc1c(Cl)cccc1/C=C/C(=O)c1cn(C(C)C)nn1 901531923 YXTHTJVLMLDZLQ-BQYQJAHWSA-N 289.766 3.717 30 20 CHED C=CC(C)(C)CCN[C@H]1CCC[C@@H](CCCC(=O)O)C1 902420530 AIQXTCFZYKIKIT-GJZGRUSLSA-N 281.440 3.992 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cccc(-c2ccncc2)c1 903106912 YLJXJMPPIPHSJA-AWEZNQCLSA-N 277.371 3.703 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2CCCSC2)CCC1 909333773 AGGPJCBQZRJLFI-CYBMUJFWSA-N 281.421 3.537 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCc1cccc(F)c1 912780642 BMCJRIFLLMTBMB-NDENLUEZSA-N 294.329 3.741 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ccc(Cl)nn1 915939097 HRXFMRUOOAFKGX-VIFPVBQESA-N 254.765 3.744 30 20 CHED CCOc1cccc(C/N=C/c2cc(OCC)ccc2O)c1 915981785 GXCSEVIJOAAIHW-CPNJWEJPSA-N 299.370 3.809 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)c1ccccc1 916240545 GRVPLKGVNZJVDM-UHFFFAOYSA-N 268.316 3.611 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1)c1ccc(F)cc1 916581833 WDOFGYHCUMQMEH-UHFFFAOYSA-N 286.306 3.750 30 20 CHED CCC(=NNc1oc(C)nc1C#N)c1ccc(Cl)cc1 917555336 NQOZLUMVNBGQFX-UHFFFAOYSA-N 288.738 3.734 30 20 CHED COc1cccc([C@@H](C)/N=C/c2cc(OC)ccc2O)c1 917558349 MKZMZDDHAZFXDZ-MBNTZHJCSA-N 285.343 3.590 30 20 CHED C#CCN(CC)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 920061635 ZIUSDCYQIHHXEI-HUUCEWRRSA-N 278.440 3.504 30 20 CHED FC(F)(F)c1ccc(NN=C/C=C\c2ccco2)nc1 920362496 AIYRSIRQEPCQRR-HZZFLGHQSA-N 281.237 3.805 30 20 CHED C=CCCOCC(=O)OCc1ccc(-c2ccccc2)cc1 920728536 YEJIBUUKOOMBJW-UHFFFAOYSA-N 296.366 3.990 30 20 CHED C=CC[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccncc1 921748641 YZPWKHXHBWCRQW-KDOFPFPSSA-N 294.398 3.812 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1nc2ccccc2s1 924576845 YXPIQZQSDAKOSR-GFCCVEGCSA-N 287.432 3.757 30 20 CHED CC(C)COC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccco1 924891015 UGEKPSMNYRQQPT-LSDHHAIUSA-N 292.423 3.911 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1C[C@@H](C)Oc2ccccc21 926511386 WNVLAYWXCQJVIP-GZBFAFLISA-N 272.392 3.817 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3cccnc31)CC2 927061293 NAGNWDZKWXWIGE-ZWKOTPCHSA-N 289.382 3.608 30 20 CHED CC(C)c1ccc(CCC(=O)N2CCC[C@H](C#N)C2)cc1 928225799 GPKYNVZLCKJGTR-MRXNPFEDSA-N 284.403 3.505 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 929940961 JTGAKXAAKBFTHK-CABCVRRESA-N 292.382 3.848 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(Cl)c2occc12 931329381 RLJKVYRMRFXKNV-VIFPVBQESA-N 276.723 3.508 30 20 CHED C=C(C)CCC(=O)N(C)[C@H](CC)c1cccc(OC)c1 1121187618 HKJWWQIZVFKIMT-MRXNPFEDSA-N 275.392 3.961 30 20 CHED CC(C)c1occc1C(=O)O[C@H](CC#N)c1ccco1 1123369884 QAILYKLGKYHAMR-CYBMUJFWSA-N 273.288 3.808 30 20 CHED N#Cc1ccc(C(=O)CSc2cccc(F)c2C#N)cc1 1166247939 ZOKVIBSGAQWKKE-UHFFFAOYSA-N 296.326 3.544 30 20 CHED CC(C)c1cccc(N(C)C(=O)Nc2cccc(C#N)n2)c1 1206772722 BWIOTSPDOFFXHY-UHFFFAOYSA-N 294.358 3.745 30 20 CHED CC(C)[C@]1(C)C[C@H]1c1nnc(COc2ccc(C#N)cc2)o1 1261572803 ZEKDQYVXXHBNIT-YOEHRIQHSA-N 297.358 3.670 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)OC1CCCCC1 1319827193 XTDLXRVMEZQEHY-KGLIPLIRSA-N 267.413 3.585 30 20 CHED N#CC1(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 1323986002 OQRFKJBOFAPIER-CYBMUJFWSA-N 294.320 3.798 30 20 CHED C=CCCCCC[C@H](C)Nc1ccccc1CC(=O)NC 1327746958 GZGPECFXGGIYNE-HNNXBMFYSA-N 288.435 3.912 30 20 CHED C#CCCCCNCc1cc(OC)cc(C(F)(F)F)c1 1329710579 MCNZAOYTCJBGJF-UHFFFAOYSA-N 285.309 3.607 30 20 CHED Cc1coc(C(=O)N(c2ccccc2C#N)C2CCC2)c1C 1332586780 CZHFQPFXSGHJIH-UHFFFAOYSA-N 294.354 3.967 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(Cl)ncc1C 1336118830 LAOIXQJGSHGXKJ-UHFFFAOYSA-N 293.798 3.588 30 20 CHED N#CC1(C(=O)O[C@@H]2CCSc3ccccc32)CCCC1 1336436154 UJLLAEFUKVLILU-CYBMUJFWSA-N 287.384 3.851 30 20 CHED C=C(C)CCC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 1338984951 WWBUTNFJIZLUOO-HOCLYGCPSA-N 275.367 3.934 30 20 CHED C#CCN(Cc1ccccc1Oc1cccnc1)CC1CC1 1341067396 LBYQYQDCOXKQGQ-UHFFFAOYSA-N 292.382 3.719 30 20 CHED C=C(C)CCC(=O)O[C@@H](C)c1noc(-c2ccccc2)n1 1348140729 XSXOIHJGZGASMB-LBPRGKRZSA-N 286.331 3.697 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C(C)(C)C)s1 1355088206 ICNCFQPAVPWGHR-NSHDSACASA-N 278.421 3.810 30 20 CHED CC[C@H](F)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1436546587 MVGITQHOSZUXRA-KKZNHRDASA-N 294.395 3.992 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2c(F)cccc2Cl)c1 1460785135 CBNMAZKDIMQVAD-UHFFFAOYSA-N 292.672 3.742 30 20 CHED COc1cc(C#N)ccc1CN1C[C@@H](C)c2ccccc21 1473570443 WFRROZVEYYUQMW-CYBMUJFWSA-N 278.355 3.691 30 20 CHED CC(C)(C)C[C@H]1CCN(Cc2cccc(C#N)n2)C1(C)C 1474576014 RLNFGBGUXOKMOP-CQSZACIVSA-N 285.435 3.990 30 20 CHED C=C(Cn1c(N(C)CC)nnc1C(C)(C)C)c1ccccc1 1593796482 UAAJSGNYMPXDJV-UHFFFAOYSA-N 298.434 3.745 30 20 CHED C[C@H]1C/C(=C\c2cc(C(=O)O)co2)C(=O)c2ccccc21 1594195999 FNKYGVNWQKPUTI-VUBLIPMDSA-N 282.295 3.751 30 20 CHED COc1ccc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)cc1C#N 1595802866 KLZOXFYTPHLCBD-STQMWFEESA-N 298.386 3.722 30 20 CHED C[C@]1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCc2ccccc2C1 1596978434 NTAUJMPZDIORNF-FNHZYXHNSA-N 297.398 3.807 30 20 CHED COc1ccc(SCc2cccc(C(=O)O)c2C#N)cc1 1610347420 AZFWNDRNRNKQEC-UHFFFAOYSA-N 299.351 3.557 30 20 CHED C=C(CNc1cc(CC)nc(CC)n1)c1ccccc1 1612453490 CLYORHGFXYRXIH-UHFFFAOYSA-N 267.376 3.727 30 20 CHED C[C@H](CCNC(=O)c1ccccc1CC#N)CC(C)(C)C 1625261431 NVQYUMVQJKXECW-CQSZACIVSA-N 286.419 3.945 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)c(C)n1 1639972769 CFXZHOCZQMGHRJ-UKRRQHHQSA-N 257.381 3.890 30 20 CHED Cc1nc(NCC[C@@H]2CCCC[C@@H]2C)ccc1C#N 1642270563 VCRBIDZJXRHANR-JSGCOSHPSA-N 257.381 3.890 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CCC[C@@H]2CCC(C)C)n1 1655091599 CBJJMKKGGJNCNX-UKRRQHHQSA-N 272.396 3.674 30 20 CHED Cc1cc(N[C@@H]2c3ccccc3CC[C@@H]2C)ncc1C#N 1655319214 IQIKSZXPBVCMAD-SGTLLEGYSA-N 277.371 3.997 30 20 CHED N#Cc1ccc(CNC[C@@H]2CSc3ccccc32)c(F)c1 1662515949 KKNWSVCGZAFGLH-CQSZACIVSA-N 298.386 3.676 30 20 CHED C=C(C)CCCN1CCC[C@H]([C@@]23CC[C@@H](C2)[C@@H]3C(=O)O)C1 1776139264 XQSKMLBUXTWSCS-LISAXSMJSA-N 291.435 3.556 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(F)c(C(=O)O)c1 1777477201 HVISOLXFTQOZTK-HWKANZROSA-N 290.315 3.790 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)Cc2ccccc21 4826567 XJTYITRVRMWOSV-KPKJPENVSA-N 256.251 3.787 30 20 CHED Cc1ccc(OCCOc2ccc(C#N)cc2)cc1C 11994902 OWHKRODNWWXBFB-UHFFFAOYSA-N 267.328 3.633 30 20 CHED COc1ccc([C@H](C)Nc2ccc(C#N)cc2)cc1 19951155 DUYWZWOYDIYKFS-LBPRGKRZSA-N 252.317 3.740 30 20 CHED CN(Cc1cccc(Cl)c1)c1ccc(C#N)cc1 42227429 QGZLAYYJJINXCN-UHFFFAOYSA-N 256.736 3.848 30 20 CHED C=CCOc1ccccc1C(=O)N1CCc2sccc2C1 45065979 ADEYPQYRRWCBDR-UHFFFAOYSA-N 299.395 3.511 30 20 CHED CCC1CCN(c2c(C#N)cnc3ccccc23)CC1 48908568 BMAKEHHSGSWIIJ-UHFFFAOYSA-N 265.360 3.733 30 20 CHED CC[C@H](NCc1cccc(OCC#N)c1)c1cccs1 49529418 KOCPNWPSDVMAOY-HNNXBMFYSA-N 286.400 3.891 30 20 CHED CCOc1ccc(NC(=O)c2sccc2C#N)c(C)c1 52032087 SOFOAMNZBKRHSB-UHFFFAOYSA-N 286.356 3.579 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(C(F)(F)F)cc1 54178308 FVHPTCDXVYPPCE-SNVBAGLBSA-N 285.269 3.519 30 20 CHED N#CCCCOc1cccc(NC(=O)[C@H]2CC=CCC2)c1 55568252 ILPQWRMKVQHMCC-AWEZNQCLSA-N 284.359 3.664 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1 55780092 CVXWVDWLMGJYHF-SFHVURJKSA-N 290.366 3.844 30 20 CHED C=CCOc1cccc(NC(=O)CCOc2ccccc2)c1 56337300 FIVYWVHNKUHSBU-UHFFFAOYSA-N 297.354 3.659 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C/c2cccs2)s1 79263182 KNBPPXPQBSYZEN-AATRIKPKSA-N 288.397 3.896 30 20 CHED Cc1cncc(C(=O)Nc2ccccc2SCCC#N)c1 80125023 MHJXTXIETFTXLA-UHFFFAOYSA-N 297.383 3.648 30 20 CHED CC(C)N(CCCNc1ccc(Cl)c(C#N)n1)C(C)C 80606289 BRGQMDIBCGFQAN-UHFFFAOYSA-N 294.830 3.527 30 20 CHED C[C@@H](N(C)c1c(F)cc(C#N)cc1F)C(C)(C)C 83530038 CJDVZKUJBJDJTI-SECBINFHSA-N 252.308 3.707 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](C)c1cccc(OC)c1 84522985 QYEUCLTUFYSAKT-AWEZNQCLSA-N 275.392 3.613 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccccc1-c1cccs1 84907859 IPTUEJMYJMKXKE-LLVKDONJSA-N 285.372 3.696 30 20 CHED N#CCC1(CNc2ccccc2OC(F)(F)F)CC1 88249492 UHEGRZKPIMWKPP-UHFFFAOYSA-N 270.254 3.691 30 20 CHED CCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@@H](C)C#N 91983373 PSDOCWSATOZLQQ-ZDUSSCGKSA-N 289.379 3.700 30 20 CHED N#CCCCCN1CCc2c(Br)cccc2C1 102400227 JRONYJVNXIVXIJ-UHFFFAOYSA-N 293.208 3.501 30 20 CHED CCC[C@H](NCc1cccc(C#N)c1)c1ccccn1 105432529 BOESMCBWJDUWTH-INIZCTEOSA-N 265.360 3.584 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 107394275 FZOALEBYYPZOOK-HNNXBMFYSA-N 272.392 3.748 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@@H](C#N)c2ccccc2F)C1 108797177 RNRZILBQOOYIFF-WWGRRREGSA-N 288.366 3.723 30 20 CHED CC(C)COCCCNc1ccc(C#N)c(Cl)c1 111105647 FKCWGCHJLKAHPH-UHFFFAOYSA-N 266.772 3.686 30 20 CHED C=CC1CCN(C(=O)c2ccc(N(CC)CC)cc2)CC1 111631929 AXBJKBYZVRRQMO-UHFFFAOYSA-N 286.419 3.571 30 20 CHED CC(C)(CNC(=O)Nc1cccc(C#N)c1)c1cccs1 114513364 NNTBKWONGUMXFE-UHFFFAOYSA-N 299.399 3.719 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 114757011 JVLXFDHNXYFSAL-VIFPVBQESA-N 289.322 3.952 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)c1ccccc1F 121720758 FFOBSDDZALNRSM-CYBMUJFWSA-N 290.382 3.908 30 20 CHED CC(C)Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 122052513 MRLDQLJAGINUOB-HNNXBMFYSA-N 272.392 3.553 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccncc1C 122055159 RHDHQISGMZCQAS-UHFFFAOYSA-N 261.369 3.600 30 20 CHED N#Cc1ccc(Br)cc1OCC1CCCC1 123506204 MECWRBVNMXYFNC-UHFFFAOYSA-N 280.165 3.890 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2cc(C)cc(C)c2)o1 127276301 ZNMHSXZNCHOPHD-GFCCVEGCSA-N 273.361 3.748 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(OC)c(Cl)c1 129791187 VCQYAXYVAFJIEK-VIFPVBQESA-N 260.164 3.752 30 20 CHED CC(C)(C)n1cc(CN[C@@H](CCC#N)c2ccccc2)cn1 130381168 RSEIQFMFPUKLKU-KRWDZBQOSA-N 296.418 3.773 30 20 CHED C[C@H](NCCCC#N)c1cccc(Cl)c1Cl 132386298 ATIWIQRAECZCHZ-VIFPVBQESA-N 257.164 3.948 30 20 CHED CC(C)c1ncc(CNc2cccc(C#N)c2)s1 132885883 ZEXJAAAFAJPZTG-UHFFFAOYSA-N 257.362 3.750 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(F)n1 134229325 ARSKQMBTKZIVFA-UHFFFAOYSA-N 291.370 3.821 30 20 CHED CC(C)(C#N)CCCO/N=C(/N)CCCc1ccccc1 135495128 IESILWACBQMHMU-UHFFFAOYSA-N 287.407 3.628 30 20 CHED CC(C)c1ccc(CNc2ccc(C#N)nc2)cc1 149378365 AXWVKGZXHDQFBT-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C=CCCSCC(=O)Nc1cc(Cl)ccc1C 151988971 LVCDKCLSFUZPLG-UHFFFAOYSA-N 269.797 3.896 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1c(C)noc1C)c1ccccc1 152236518 ZMOCCYCEJUHMEF-HNNXBMFYSA-N 298.386 3.610 30 20 CHED C[C@H]1CSC(SCCCOc2cccc(C#N)c2)=N1 155671850 NDUWAAPEOQBKJN-NSHDSACASA-N 292.429 3.552 30 20 CHED C=CCN(C)C(=O)c1ccc(COc2ccc(C)cc2C)o1 161374192 NRAMOSIEFBUUJD-UHFFFAOYSA-N 299.370 3.733 30 20 CHED CC(=O)OCCCCSc1ccc(C#N)cc1Cl 163287392 JPEDKEDQJMPVTA-UHFFFAOYSA-N 283.780 3.647 30 20 CHED C=CCOCCCC(=O)N(CC1CCCCC1)C1CC1 173675245 TXQIFXHFEGLAOH-UHFFFAOYSA-N 279.424 3.541 30 20 CHED C#CCCCNC(=O)c1cccc(N[C@H](C)C(C)C)c1C 174576966 FCORQVHRKHRUEX-OAHLLOKOSA-N 286.419 3.595 30 20 CHED C=CC1CCN(C(=O)C[C@H](C)Cc2cccc(F)c2)CC1 174779227 NBXCNXYILWHMNJ-CQSZACIVSA-N 289.394 3.819 30 20 CHED C=CCOCCCC(=O)Nc1c(C)cc(C)cc1C 175028004 GXBNHQLWSHHYHQ-UHFFFAOYSA-N 261.365 3.533 30 20 CHED C[C@@H](OC(=O)/C=C/c1ccccc1)c1ccc(C#N)cc1 175781837 GATRILMHRFTCOE-BRADTZPFSA-N 277.323 3.876 30 20 CHED C=CCCCC(=O)N1CCSC[C@H]1c1ccc(C)cc1 177864315 PGGKJRWLUBWZDW-INIZCTEOSA-N 289.444 3.968 30 20 CHED C[C@H](CN(CCC#N)Cc1ccccn1)c1ccccc1 178389074 KBDOAHYNOLLRAK-MRXNPFEDSA-N 279.387 3.601 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1nccc2ccccc12 178630280 DSIZVNSFKJGCPH-UHFFFAOYSA-N 287.322 3.667 30 20 CHED COc1cccc(OC)c1/C=C1\Cc2ccc(F)cc2C1=O 182253119 AXEFWMJYZXGUIO-FMIVXFBMSA-N 298.313 3.665 30 20 CHED C=CCC[C@H](Nc1ccc(OC)c(OC)c1)C1CC1 182746995 FNZGTWQYLPSYRG-AWEZNQCLSA-N 261.365 3.861 30 20 CHED C#CCCCCC(=O)N1CCC[C@]1(C)Cc1ccccc1 183993654 OXLHUNMVAOCWNQ-LJQANCHMSA-N 283.415 3.804 30 20 CHED C=C(C)COc1cccc(NC(=O)C(C)(C)CCOC)c1 184629435 GIMZTJYIZLTINE-UHFFFAOYSA-N 291.391 3.643 30 20 CHED CC[C@H](NCCCCC#N)c1nc(C(F)(F)F)cs1 185940363 ZMQCWCOUQUSBGH-VIFPVBQESA-N 291.342 3.896 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1cn[nH]c1C)c1ccc(F)c(F)c1 186452622 ZWNQIROXBNAOQK-QFYYESIMSA-N 291.345 3.964 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@H]2CCC[C@@H]2C)s1 186657873 GGFXTAUVXRDJHK-WDEREUQCSA-N 276.405 3.947 30 20 CHED Cc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)s1 187226606 VTPOIWSQMDEZES-DHZHZOJOSA-N 256.326 3.585 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CCCC(C)C 187791500 UXWRYTBWJQYORK-HOCLYGCPSA-N 269.429 3.546 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)Nc1ccccn1 188585816 VDKVLWVIVMZJRZ-UHFFFAOYSA-N 297.358 3.623 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccc(F)c2)CCC1 190546514 SDUAJRJCSYRKHY-UHFFFAOYSA-N 261.340 3.531 30 20 CHED COc1c(C)ccc(NCc2ccccc2C#N)c1C 192589312 BCXRMAXOHVTOIH-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CCC(CC)(CNCc1ccc(C#N)s1)SC 226267018 JFSUNGHHINQQRD-UHFFFAOYSA-N 268.451 3.631 30 20 CHED N#Cc1cc(F)cc(NCc2ccc(F)cc2F)c1 227615714 FETLEOKBHOGSEE-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C[C@@H]1CCC[C@@H](NCc2cccc(C#N)c2F)[C@@H]1C 229592225 VCDFWTOHSQGOSE-LALPHHSUSA-N 260.356 3.612 30 20 CHED C[C@H]1CCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N 230683614 MEWJCAIUDDJLBG-GXSJLCMTSA-N 283.297 3.820 30 20 CHED CCN(C(=O)CC(C)C)[C@H](C)c1ccc(C#N)cc1 248264161 XEGWNZMUNYHSGP-CYBMUJFWSA-N 258.365 3.514 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)[C@@H]2CCCC[C@@H]12 248373839 LUXVKGULQYXMPH-BYCMXARLSA-N 260.406 3.630 30 20 CHED C[C@H](CCc1ccccc1)N[C@H]1CCC[C@@H](C#N)C1 248835528 MZUAEFBXAISNIS-OIISXLGYSA-N 256.393 3.680 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CCC[C@@H]1C1CCCC1 255002437 HCUOWWFKXPJQDB-YUIUBULTSA-N 294.398 3.753 30 20 CHED COc1ccc(N=Cc2cc3ccccc3nc2O)cc1F 255359067 ZCMUSANMNYRVME-UHFFFAOYSA-N 296.301 3.839 30 20 CHED C=CCC1(C(=O)Nc2cc(C(=O)O)c(C)cc2C)CCC1 263555028 YJUMYHAGOISNHI-UHFFFAOYSA-N 287.359 3.687 30 20 CHED COCCN(CCCC(C)(C)C#N)CCc1ccccc1 266903327 JDIWIXZZMPNSGU-UHFFFAOYSA-N 288.435 3.507 30 20 CHED C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 271426765 CVEFAZHLJSDQMO-AUUYWEPGSA-N 292.382 3.927 30 20 CHED CC[C@@H](NCCC(C)(C)C#N)c1cc(F)ccc1F 272045471 SBWMJVFLLFTAQO-CQSZACIVSA-N 266.335 3.945 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](C)C(C)(C)C 272729228 UZBXFHGOTQHLQA-NEPJUHHUSA-N 274.364 3.598 30 20 CHED CC(C)(C#N)c1nc(-c2ccc(F)cc2C(F)(F)F)no1 273881917 BAMIGRJIWGZWLN-UHFFFAOYSA-N 299.227 3.696 30 20 CHED CC1(C)[C@H](C(F)(F)F)CCN1Cc1cccc(C#N)c1 276243065 MGOASLNAWHGQMA-CYBMUJFWSA-N 282.309 3.721 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc3nccn3c2)CCCC1(C)C 278360124 KDENJXZCFZAXQO-OAHLLOKOSA-N 297.402 3.541 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H](C)c1ccc(F)cc1 280618783 KUANMVFSWFLHRN-UNEWFSDZSA-N 277.383 3.500 30 20 CHED C=CCC[C@@H](C)Nc1ccc(C(=O)N2CCCC2)cc1 280824738 VVLUCAIUCLIHCR-CQSZACIVSA-N 272.392 3.689 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](CC)c1ccncc1 281213516 CPRHRFIJSWLTTF-CABCVRRESA-N 275.396 3.529 30 20 CHED Cc1cc(C)cc(N(C)CCCC2(C#N)CCOCC2)c1 282117038 XLDQQBIYLWJVQF-UHFFFAOYSA-N 286.419 3.840 30 20 CHED C=CCC1(C(=O)NCc2ccc3[nH]c(C)cc3c2)CCC1 286323555 AGZGKSIMLXFFHZ-UHFFFAOYSA-N 282.387 3.839 30 20 CHED CC(C)[C@@H]1OCCC[C@H]1CNc1nc(Cl)c(C#N)s1 287783010 IRNZCEOFWSFLNY-ONGXEEELSA-N 299.827 3.531 30 20 CHED CC(C)(C#N)CCNc1ccc(F)cc1OCC(F)F 288682234 IYKAUDIDCWWPTF-UHFFFAOYSA-N 286.297 3.821 30 20 CHED C#CCC(C)(C)c1nc(-c2coc3ccccc23)no1 289057212 LHZGZEJRRQHAGE-UHFFFAOYSA-N 266.300 3.784 30 20 CHED C=CCCCCNC(=O)Nc1ncsc1C(C)C 290035667 WXBXCRROIHKGPG-UHFFFAOYSA-N 267.398 3.744 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(Br)nc1 290628605 IXGMFOONNNXDJE-CMPLNLGQSA-N 283.213 3.849 30 20 CHED CO[C@](C)(C/N=C/c1c(O)ccc2ccccc12)C1CC1 290886554 CLASQTNHEZKACV-HDAJJNEKSA-N 283.371 3.779 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] 291114342 LQXBQFGCWKRTLC-JTQLQIEISA-N 295.289 3.704 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 295309079 KLVXJQIYQHSAQM-PVAVHDDUSA-N 284.403 3.974 30 20 CHED C[C@@H](NCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 299633381 KDIBDFJCGUINOR-CQSZACIVSA-N 298.361 3.969 30 20 CHED CC[C@]1(C)CCCN(c2ccc(Cl)c(C#N)n2)C1 301468604 NKMCXQHEXUVWPK-CQSZACIVSA-N 263.772 3.623 30 20 CHED N#Cc1ccc(N(Cc2ccc(Cl)cc2)C2CC2)cn1 301494842 BBKYNRSPPCPBBN-UHFFFAOYSA-N 283.762 3.776 30 20 CHED Cc1ccc(CNc2ncccc2C#N)c(OC(C)C)c1 301587976 XHTKGJHICJJNSP-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC(C)CC[C@@H]1CCCCN1c1ncccc1C#N 301680118 URUWNSPZKKUVTK-HNNXBMFYSA-N 257.381 3.748 30 20 CHED N#Cc1cc(F)c(NCCc2cc3ccccc3[nH]2)c(F)c1 301734739 GOHOYHPXAACHOT-UHFFFAOYSA-N 297.308 3.972 30 20 CHED CN(c1cccc(F)c1C#N)[C@H]1CCc2ccccc2C1 303507420 ARYGPOFXKCXKLR-HNNXBMFYSA-N 280.346 3.691 30 20 CHED C=CCN1CCSC[C@H]1c1ccc(Cl)cc1 303671196 PDLPWBZAQIYVQA-ZDUSSCGKSA-N 253.798 3.616 30 20 CHED CCN(CC)C1CCN(CCCCC(C)(C)C#N)CC1 312191071 IBUKAFWTKUBZOJ-UHFFFAOYSA-N 279.472 3.513 30 20 CHED N#Cc1nccnc1Sc1ccc(Cl)cc1Cl 322922228 LHOUJLCYDJZDGX-UHFFFAOYSA-N 282.155 3.806 30 20 CHED CC1(C)C[C@@H](C#N)c2cc(Br)ccc2O1 328578294 GQFUQHPJCJHGJE-QMMMGPOBSA-N 266.138 3.617 30 20 CHED CC(C)(C)c1ccc(N=C(O)[C@H]2CCCC(O)=N2)c(O)c1 328653716 LGOJTVBAFCBKBO-GFCCVEGCSA-N 290.363 3.787 30 20 CHED O/C(=N/[C@@H]1CC12CCCCC2)c1conc1C1CC1 329566168 KTRHOTDEDVRKHJ-GFCCVEGCSA-N 260.337 3.579 30 20 CHED CC1(C)C[C@]1(C#N)/N=C(/O)[C@@H]1CCSc2ccccc21 330161932 UFXJSWKFDHCOIG-MLGOLLRUSA-N 286.400 3.915 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)C2(C#N)CCCCC2)c1 330383904 KFFHZSKNHUXXKR-OAHLLOKOSA-N 284.403 3.955 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(CCC#N)Cc2ccccn2)C1 330569647 HZDIISZFYVPYLD-CVEARBPZSA-N 299.418 3.540 30 20 CHED Cc1c(C#N)cccc1N/C(O)=N/CC1CCCCC1 331204202 YKCXAYJMTSNYPS-UHFFFAOYSA-N 271.364 3.773 30 20 CHED Cc1oc(C#N)cc1C(=O)N1C[C@H]2CC[C@H]1c1ccccc12 335316674 ANAKXPSBAAEKBE-PXAZEXFGSA-N 292.338 3.534 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1ccccc1C 336476424 GDPZHPGDYXHTRC-UHFFFAOYSA-N 270.357 3.595 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)c1ccncc1F)c1ccccc1 338187138 WPURRVCDNUIRGC-KGLIPLIRSA-N 298.361 3.758 30 20 CHED COCC1(CCNc2ccc(Cl)cc2C#N)CCC1 338736174 MBPJJPGSUXUUDR-UHFFFAOYSA-N 278.783 3.830 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(C1CC1)C1(C#N)CCC1 341578529 BJZLXLWBAXSNCS-CYBMUJFWSA-N 274.408 3.640 30 20 CHED C=CCC[C@H](O)CN[C@@H](CC(C)C)c1ccccc1OC 342334836 LNAOOVQBCOHCPM-RDJZCZTQSA-N 291.435 3.699 30 20 CHED C=CCCOCCCCC(=O)N1C[C@@H](C)c2ccccc21 342696785 ZCOSEBBIJULENB-OAHLLOKOSA-N 287.403 3.900 30 20 CHED CC(C)(CCC#N)CNCc1cnc2ccccc2c1 343735103 FJQCDYSUGYCAPS-UHFFFAOYSA-N 267.376 3.654 30 20 CHED CCC[C@H](NCc1ccc(C#N)s1)c1ccccn1 344205105 FBDDJVJYEJNZBU-AWEZNQCLSA-N 271.389 3.646 30 20 CHED Cc1nc(C)c(CSc2cccc(C#N)c2)s1 344816156 CBAOKJRATBRJRJ-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C=C(C)CCNc1ccccc1C(=O)NCc1ccco1 345312618 HBMFZBSADUGTIM-UHFFFAOYSA-N 284.359 3.588 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N(C1CCC1)C1CCC1 346740567 NOWIOYLLHVBHNB-INIZCTEOSA-N 296.414 3.693 30 20 CHED C=CCOCCCN(C)Cc1ccccc1C(F)(F)F 347963285 JFSIAJHNBCESAI-UHFFFAOYSA-N 287.325 3.730 30 20 CHED CC[C@H](Sc1ccc(C#N)cn1)C(=O)c1ccccc1 348129481 GQEYXJICOFORFQ-AWEZNQCLSA-N 282.368 3.707 30 20 CHED CC(C)(CCC#N)CN1CCC[C@H]1c1cccnc1 348927287 ZVJRPUOMOZFTIR-HNNXBMFYSA-N 257.381 3.548 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1c(C)ccnc1C 351935663 ILNCUXXTUKBKQH-UHFFFAOYSA-N 295.386 3.919 30 20 CHED N#CCn1c(/C=C/c2cccs2)nc2ccccc21 352027014 NANJKSCCOGIZJN-BQYQJAHWSA-N 265.341 3.792 30 20 CHED C=CCCN(C)C(=O)Nc1c(C)cc(OC)c(C)c1C 352914099 XIJFKNMAGQBJMW-UHFFFAOYSA-N 276.380 3.660 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] 357661262 NDWKBIJBULZHEH-GJZGRUSLSA-N 297.289 3.574 30 20 CHED C=CC[C@H]1N(c2nnc(C3CC3)n2CC)CCCC1(C)C 358634252 RFRFEDOASMRTEJ-CQSZACIVSA-N 288.439 3.747 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@H](C)C[C@H](C)C1 359249008 ZJGZLOUHXHIQGL-KBPBESRZSA-N 288.439 3.604 30 20 CHED Cc1nc(N(C)[C@H](C)C2(C)CC2)c(Cl)cc1C#N 360057057 YFZSVJOFCVPVGL-SNVBAGLBSA-N 263.772 3.540 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(C2CCC2)c1 360894354 TYNMJBDMQSOEFU-CYBMUJFWSA-N 273.376 3.874 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C)cc(F)c1 361307212 DGVXPEMLNFISAX-UHFFFAOYSA-N 283.346 3.963 30 20 CHED C=CCCC1(C(=O)Nc2ccc(F)cc2OC)CC1 361572483 TUYATNSTVRSWEB-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C=CCCC1(C(=O)Nc2cccc(C#N)c2C)CC1 361803731 IFNURYWWJSKRAS-UHFFFAOYSA-N 254.333 3.552 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1F 361836897 IPNRQHWRWUEDMX-LLVKDONJSA-N 272.298 3.687 30 20 CHED CCN(C(=O)CCc1ccc(C)s1)c1ccc(C#N)cc1 361857692 CNUHZNAAFUAREN-UHFFFAOYSA-N 298.411 3.914 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@H](c3ccco3)C2)cc1 371332936 RZGHQGMBNFRHJJ-ZBFHGGJFSA-N 296.370 3.560 30 20 CHED CCCCCCCCC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C 376402183 GTDGHYKRMDDSNZ-SJPCQFCGSA-N 294.483 3.821 30 20 CHED C=CCCN(C)C(=O)c1cnc(Cl)c2ccccc12 388719505 WEPCBAJPKSVUBZ-UHFFFAOYSA-N 274.751 3.536 30 20 CHED COc1ccc(C#N)cc1COc1c(C)cc(C#N)cc1C 388862488 PHNVPHPRJIDCSV-UHFFFAOYSA-N 292.338 3.634 30 20 CHED CN(CC1(C#N)CC1)[C@@H]1CCCC[C@H]1c1ccccc1 412004003 BSHWEIGZSJIEOG-DLBZAZTESA-N 268.404 3.948 30 20 CHED C=C(C)CN(C)C(=O)c1[nH]c2c(Cl)cccc2c1C 412236883 AFNNCUNGUNVTBL-UHFFFAOYSA-N 276.767 3.778 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412379897 HFRQKPLNDFEXRI-XOYOTBSWSA-N 296.414 3.604 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C)cc1SC 415882576 LDWZMBOMMDGIGJ-IUODEOHRSA-N 291.416 3.637 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H]1C[C@H]1c1cccs1 424337208 ZEDGOKFQWISVOJ-XHJNMGKDSA-N 260.406 3.522 30 20 CHED N#Cc1c(NC[C@@H]2CCCCC2(F)F)ncc2c1CCC2 425269729 RLYGSQKPZBXRGQ-LBPRGKRZSA-N 291.345 3.679 30 20 CHED N#CCCCCNCc1ccc(C(F)(F)F)s1 428875020 RKEHYGFDKAYXJE-UHFFFAOYSA-N 262.300 3.550 30 20 CHED C=CCN(CCC#N)Cc1ccc(-c2ccccc2)o1 430109010 XNXYVYCJHHKKEM-UHFFFAOYSA-N 266.344 3.848 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C#N)c1C 431753429 VOUFNYACKCGQIX-CJNGLKHVSA-N 285.391 3.957 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1cc(F)ccc1F 436302855 ACDSAKWPGHJYHB-VUCTXSBTSA-N 295.373 3.987 30 20 CHED C=CCCCC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 437413465 SKMVHJZCUCSZQY-OLZOCXBDSA-N 295.329 3.616 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1nc(C)c(C)o1 438300943 FXSQKBGAXDUQSG-UHFFFAOYSA-N 287.359 3.916 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 438348283 RQYMAEPUHWXSME-AWEZNQCLSA-N 260.356 3.565 30 20 CHED N#C[C@H]1CC[C@H](NCCCc2cccc(C(F)(F)F)c2)C1 442786005 WSRGEMAAVFOLFY-ZFWWWQNUSA-N 296.336 3.920 30 20 CHED Cc1cc(CN[C@H]2C[C@@H]2Cc2ccccc2)ccc1C#N 443982657 DPIYUBNEOGUBNT-OALUTQOASA-N 276.383 3.588 30 20 CHED C=CCCCCNC(=O)N(C)Cc1cc(C)ccc1F 444080866 BQPFVOCCWNXBSS-UHFFFAOYSA-N 278.371 3.632 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 452716874 JIHHGJDXDZIMTL-NXEZZACHSA-N 269.797 3.587 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](OC(C)(C)C)c1ccccc1 452775280 NTZAIPJMONFPER-OAHLLOKOSA-N 289.419 3.871 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)c1cccc(OC)c1 452775769 PHDSQOYARODVPB-ZDUSSCGKSA-N 275.392 3.517 30 20 CHED C=CCCc1noc(Cc2ccccc2SC)n1 453230894 ILGYAUHSNLHURX-UHFFFAOYSA-N 260.362 3.501 30 20 CHED C=CCC[C@H](NCc1cnc(OC)c(Cl)c1)C1CC1 453282383 DHRKAUXGJNABDA-AWEZNQCLSA-N 280.799 3.578 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@@H]1Cc1ccccc1 455362641 GMWDIMBTICLNDH-MRXNPFEDSA-N 286.419 3.615 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](c1ccccc1)C(F)F 455636323 CHCXUHNVNXBXAQ-QWHCGFSZSA-N 282.334 3.647 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 456846711 UYHQSYLJMCUULL-ZFWWWQNUSA-N 288.366 3.530 30 20 CHED CC(C)[C@@H]1N(C(=O)c2cccc(C#N)c2)CC12CCCC2 457163501 KHRIJLXTXMYCIP-INIZCTEOSA-N 282.387 3.599 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(Oc2ccccc2)o1 457988388 COLHXTZQPOSAOX-UHFFFAOYSA-N 298.342 3.742 30 20 CHED CC(C)COc1ccc(CNCC(C)(C)CC#N)cc1 459735517 TVFARJNHUHAEHS-UHFFFAOYSA-N 274.408 3.751 30 20 CHED C=CCC1(C(=O)Nc2cccnc2OC)CCCCC1 460014124 NDKJDENAYZGHLY-UHFFFAOYSA-N 274.364 3.555 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCCC[C@@H]1CC 460556706 HMASECDUIDZZEY-HNNXBMFYSA-N 288.439 3.891 30 20 CHED CCC1(C(=O)Nc2cccc(C#N)c2)CCCCC1 460778742 SHBWUMQFXNQSCI-UHFFFAOYSA-N 256.349 3.857 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2ccc(OC)cc2)CCC1 466537572 ZUTOAFHSOBSKAO-OAHLLOKOSA-N 287.403 3.588 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1ccccc1Cl 466540914 LPDVIVRGTZBUTP-LBPRGKRZSA-N 281.783 3.580 30 20 CHED CCC(CC)[C@@H](NC(=O)[C@H](C)C#N)c1cccs1 467951207 BLKWSRHYICSAJS-ZWNOBZJWSA-N 264.394 3.501 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](CC)SC 470641055 HXJDIJMOWINTFH-HNNXBMFYSA-N 277.433 3.733 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H](C)C(C)(C)C 471170377 VJHJXGIIZSWFHE-CYBMUJFWSA-N 266.429 3.990 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC1(CC)CC1 472066161 QHIAWJFULHDXEU-UHFFFAOYSA-N 286.419 3.965 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCC[C@H]1CCC(C)C 472701659 RCNXXNPZKFLZAF-HOTGVXAUSA-N 281.440 3.785 30 20 CHED C=CCCCCNC(=O)N(CC)Cc1ccccc1C 472842032 RDDDNRBPWBIRIW-UHFFFAOYSA-N 274.408 3.883 30 20 CHED C=CCCCCNC(=O)N(CC)Cc1cccc(F)c1 472843374 BRDNNGAGJHBFGU-UHFFFAOYSA-N 278.371 3.714 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1SC(C)C 473843851 QQGSUPCRVIFPDU-LLVKDONJSA-N 264.394 3.883 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 474287607 HTDLGAVXMPZBKA-GOEBONIOSA-N 270.376 3.908 30 20 CHED C=C(C)COCCNC(=O)N(CCC(C)C)C1CCCC1 475423024 MJOWMGBAYYPBPW-UHFFFAOYSA-N 296.455 3.579 30 20 CHED C=C(C)CSCC(=O)N(CCCC)CCCC 477008666 IDCBKPDXPLJQLQ-UHFFFAOYSA-N 257.443 3.725 30 20 CHED C=C[C@@H](C)NC(=O)N(CC)C[C@@H](CC)c1ccccc1 477190665 LMINILCHSKEKRV-HUUCEWRRSA-N 274.408 3.786 30 20 CHED C[C@H](SCc1cc(C#N)ccc1F)C(=O)OC(C)(C)C 479717541 SDCVPFLCDTUETD-JTQLQIEISA-N 295.379 3.661 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)c1ccccc1 484092544 DBDLIZVJYXMGMY-DOTOQJQBSA-N 257.377 3.888 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)Cc3ccccc32)CCC1 485530675 JNTPMLJYFRMMFO-CQSZACIVSA-N 269.388 3.958 30 20 CHED CCC[C@@H](C(=O)N1CCc2ccc(C#N)cc21)C(C)C 486449183 RHOLMHIZMNCVIA-OAHLLOKOSA-N 270.376 3.520 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)NCC#Cc1ccccc1 487690312 PBZVYDMABXQIII-FUHWJXTLSA-N 298.430 3.648 30 20 CHED Cc1cc(CN[C@H](C)c2cccc(F)c2F)ccc1C#N 488170240 PBZIVLRZHSOQLZ-GFCCVEGCSA-N 286.325 3.996 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)c1cccc(C)c1 488872652 HDFAHEMPBQVGFT-ZBFHGGJFSA-N 257.377 3.666 30 20 CHED C=CCn1cccc1C(=O)N1CCc2c(Cl)cccc21 489049404 VJQGSOUXVARBSS-UHFFFAOYSA-N 286.762 3.530 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1C(C)(C)CC 489977526 AZTKRTGJHRFDDV-HNNXBMFYSA-N 274.408 3.715 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)ccc1OC 489989649 OTZCHGSJBKKBHA-UHFFFAOYSA-N 281.783 3.681 30 20 CHED C=CCn1cccc1C(=O)N(CC)[C@@H](CC)c1ccncc1 490018752 MGGWKSBYDPAQOW-INIZCTEOSA-N 297.402 3.683 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)c(F)cc1F 490066038 HSTXKGOSMNSMGB-UHFFFAOYSA-N 267.319 3.605 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H](C)CC(C)C 490277207 TYQVINCDVSBSNF-OAHLLOKOSA-N 277.408 3.909 30 20 CHED CC(C)(C#N)c1ccccc1CN1CC[C@H](C2CC2)C1 491184815 CKPMCLXRMKQAKL-HNNXBMFYSA-N 268.404 3.720 30 20 CHED CC(C)[C@@H](CC(=O)N(C)CC(C)(C)C#N)c1ccccc1 497441004 OHLRNFKZKTYAEM-MRXNPFEDSA-N 286.419 3.824 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 498285497 BFHNSUAVTQRSGE-HUUCEWRRSA-N 281.440 3.689 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)Cc1cccc2ccccc12 499486124 TWBAKKIPHJRUIK-IBGZPJMESA-N 294.398 3.827 30 20 CHED CCCN(CC#N)C(=O)[C@@H](C)c1cccc(CC(C)C)c1 507758181 LFQACDKOGFSLJZ-HNNXBMFYSA-N 286.419 3.751 30 20 CHED C[C@H](CC(=O)NCC1CCC(C#N)CC1)C(C)(C)C 508364725 YRPQCIKAXICJKD-IYXRBSQSSA-N 264.413 3.505 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1C=CCCC1 512542657 SQTITKZBIGKMDO-KRWDZBQOSA-N 273.424 3.951 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)[C@@H]2CCCC[C@@H]12 515283458 GDPJOEHAKHTANH-FHLIZLRMSA-N 296.414 3.793 30 20 CHED Cc1cccc(C)c1OCCNc1cccc(F)c1C#N 515550306 GBMVSXTVWBUTOG-UHFFFAOYSA-N 284.334 3.805 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc(OC3CCCCC3)nc2)C1 518473116 NVWRYRORBLIYFD-ZBFHGGJFSA-N 299.418 3.575 30 20 CHED CCCN(c1ccc(C#N)cn1)[C@@H](C)c1ccccc1OC 521149372 WTLQIJFORCQXLR-AWEZNQCLSA-N 295.386 3.939 30 20 CHED C[C@@H](CCC1CCCCC1)N=c1ccc(C#N)c[nH]1 523752981 ASUUTCYYDCMNDF-ZDUSSCGKSA-N 257.381 3.536 30 20 CHED C=CCN1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 524989090 SVZGXIXRQXPROO-CYBMUJFWSA-N 279.811 3.789 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 529242581 ACNUEFOSQHNBKP-CTYIDZIISA-N 288.366 3.518 30 20 CHED C=CCCOCCNCc1ccc(-c2ccc(C)cc2)o1 534511406 XXAHWPXKQQNMLO-UHFFFAOYSA-N 285.387 3.937 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1coc(-c2ccccc2)n1 537237161 LHPQFZGCMAJMIG-CQSZACIVSA-N 298.386 3.745 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)o1 538410293 LYUWUZLEMISQAC-QWRGUYRKSA-N 286.297 3.610 30 20 CHED C=CCN(C(=O)N[C@@H](C)CCCC(C)C)C1CC1 538959781 TUJIBXNMUGOKBX-ZDUSSCGKSA-N 252.402 3.561 30 20 CHED C=CCCOCCCCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 539366825 SYGKGBUJTOLOAL-QZWWFDLISA-N 293.451 3.690 30 20 CHED C[C@@H]1[C@@H](Cc2ccccc2)CCN1CCC(C)(C)C#N 539570555 XUDGVILAJKNIJY-NVXWUHKLSA-N 270.420 3.879 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCO[C@@H](C(C)C)C1 540136720 TUXJOCPZYAOUCC-HRCADAONSA-N 253.430 3.915 30 20 CHED C=CCC[C@H](O)CN[C@H](CC)c1ccc(Cl)s1 541627571 QFASUXZNOMMHQB-WDEREUQCSA-N 273.829 3.769 30 20 CHED C/C(=C\c1ccccc1)CN1CCC(CC#N)CC1 542854217 PEUPURTVLLVILT-FYWRMAATSA-N 254.377 3.716 30 20 CHED C=CCCCCNC(=O)N(CC)Cc1ccc(C)cc1 546028606 PMJJBKJGORKSQJ-UHFFFAOYSA-N 274.408 3.883 30 20 CHED C=CC[C@H](C(=O)N1C[C@@H](C)S[C@H](C)C1)c1ccccc1 547654018 FZFWPSLPEFFGED-FMKPAKJESA-N 289.444 3.699 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2cc(C)ccc2[nH]1 548766458 BCJYFTVNGRUDRU-UHFFFAOYSA-N 270.376 3.808 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1c1cc(C#N)ccn1 557673199 VGZPUNXCWLFRKG-RHSMWYFYSA-N 277.371 3.726 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H](C(C)C)C1 558980151 UYNMSJRHLPNCRP-OAHLLOKOSA-N 290.455 3.679 30 20 CHED Cc1cc(C(=O)N(C)[C@H](C)C#N)sc1-c1ccccc1 563822252 ZBWFBBIFNHCGAH-GFCCVEGCSA-N 284.384 3.708 30 20 CHED Cc1ccc(C[C@H](C#N)SCC(=O)OC(C)(C)C)cc1 578625665 CZANGWUPIAHSIW-CQSZACIVSA-N 291.416 3.505 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CO2 579043960 ZWXHUWQBVNKLBJ-QZTJIDSGSA-N 290.366 3.577 30 20 CHED Cc1cc(NCC(C)(C)Oc2ccccc2)cc(C#N)n1 587979315 YHWNSKNNFOEWOW-UHFFFAOYSA-N 281.359 3.531 30 20 CHED N#CCCCCCC(=O)Nc1nc2c(s1)CCCCC2 588268141 CSCFGPYHRYUIAX-UHFFFAOYSA-N 291.420 3.825 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@H]3C)c2C#N)[C@@H](C)C1 590999478 UFLRJKJGWOUQIJ-ZRUFSTJUSA-N 288.416 3.900 30 20 CHED C=CCCC(=O)CSc1ccc(C(=O)OCC)cc1F 592361393 BDRRRDCNTIBBSQ-UHFFFAOYSA-N 296.363 3.630 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 592754228 DZDFSZGBQODTJR-WMLDXEAASA-N 270.376 3.536 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)cc1 594564037 RYHLZHBCRVQRFI-CTYIDZIISA-N 273.376 3.560 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@@H](OC2CCC2)C1 594594732 QRVJCGPHHAXHBH-OAHLLOKOSA-N 290.794 3.750 30 20 CHED C=CCCSCCNCc1coc2ccccc12 594959919 GARJMLBYZOCILD-UHFFFAOYSA-N 261.390 3.832 30 20 CHED CCN(CC1CC=CC1)[C@@H](C)c1ccc(C#N)cc1 595295583 MGFPSMANTZXFKQ-AWEZNQCLSA-N 254.377 3.907 30 20 CHED Cc1ccccc1[C@@H]1CN([C@H](C#N)c2ccccc2)CCO1 595325606 KHHDZVNBPVJZNS-MOPGFXCFSA-N 292.382 3.633 30 20 CHED C=CCCSCCNC(=O)Nc1cccc2cc[nH]c12 596852471 AZCFXSCJINJKRZ-UHFFFAOYSA-N 289.404 3.599 30 20 CHED CCC(CC)CN(CCC#N)Cc1ncccc1Cl 599307239 JCLNDGYWOGKKJO-UHFFFAOYSA-N 279.815 3.887 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C#N)C2CCCCC2)c1 599633133 MFLJVDKGLKGFTI-RCCFBDPRSA-N 296.414 3.687 30 20 CHED C[C@H](N[C@@H]1CCCc2ncccc21)c1cccc(C#N)c1 601267395 XGEJWJNOIKLQTH-SCLBCKFNSA-N 277.371 3.681 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1 609034610 YUTFGJRPJMXJMO-SFHVURJKSA-N 292.382 3.699 30 20 CHED Cc1ccc2c(Cl)c(C(=O)N(C)CCC#N)sc2c1 609167239 ZCTGSTGGCJZCQP-UHFFFAOYSA-N 292.791 3.849 30 20 CHED Cc1ccc(CCC(=O)N[C@@H](C#N)C(C)(C)C)cc1Cl 610659388 BZROCWCSBDPNNL-AWEZNQCLSA-N 292.810 3.636 30 20 CHED CC1(C)CCC[C@@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1 611118669 SFEVVHITCPSHOC-OAHLLOKOSA-N 296.414 3.880 30 20 CHED N#CC1(C(=O)Nc2ccc(C3CC3)cc2)CCCCC1 611307497 LAXJAIMEPSGVGA-UHFFFAOYSA-N 268.360 3.977 30 20 CHED CC(C)(CN1CCC(CC#N)CC1)c1ccccc1 611622801 PXDVECRXIUKYKX-UHFFFAOYSA-N 256.393 3.590 30 20 CHED C[C@H]1C[C@H](CC(=O)NCC(C)(C)C#N)CC(C)(C)C1 611695084 KUDODIOMLTWNPV-QWHCGFSZSA-N 264.413 3.505 30 20 CHED Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 612292279 GEJSCEBUTCGWBJ-HNNXBMFYSA-N 291.782 3.806 30 20 CHED C=CCC1(NC(=O)c2cc3cc(C)ccc3o2)CCOCC1 618247420 WAQLFSITUBSBDI-UHFFFAOYSA-N 299.370 3.596 30 20 CHED CC(C)(C#N)CCCCN1CC(C)(C)OCC1(C)C 618281994 IDSRSMWJOVQWKJ-UHFFFAOYSA-N 266.429 3.596 30 20 CHED C[C@@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccsc1 618787476 KOBLMHJWOYDTOJ-BDJLRTHQSA-N 296.395 3.527 30 20 CHED CC(C)(C)Oc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 619673320 CQQXRGSBFPCAAT-CABCVRRESA-N 272.392 3.646 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)C(C)(C)C 622944520 VYPXVGVJIICSJF-QWHCGFSZSA-N 293.357 3.881 30 20 CHED C=CCN(Cc1ccccc1)Cc1noc(C2CCC2)n1 625053458 LFAUPXLPEPFOPA-UHFFFAOYSA-N 283.375 3.525 30 20 CHED C=CCCCCCN(C)C(=O)c1nc[nH]c1C(C)(C)C 631437600 WOBQSIVHARNNIF-UHFFFAOYSA-N 277.412 3.526 30 20 CHED C=CCCC[C@H](C)N(C)Cc1ccc(C(=O)O)cc1 652459476 ULSJPAQPWALTQR-ZDUSSCGKSA-N 261.365 3.561 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2ccc(OC)cc21 653766353 YSUHNRIATFGOMW-DOTOQJQBSA-N 299.414 3.682 30 20 CHED C=CC[C@H]1CCCN(Cc2cccc(C(=O)O)c2Cl)C1 656760150 PPEYJOCVOVAXRZ-LBPRGKRZSA-N 293.794 3.826 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](CC)C1CC1 661870769 LMRWIUHXCRDJNQ-CQSZACIVSA-N 252.402 3.563 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)CC1 661914064 DODRZOATTFGFBU-IAGOWNOFSA-N 284.403 3.540 30 20 CHED C=CCCNC(=O)Nc1ccc2ccn(CCC)c2c1 666137744 LOZXNTNUFIWTCW-UHFFFAOYSA-N 271.364 3.749 30 20 CHED C=C(CNC(=O)N[C@@H]1CCCC[C@H]1C)c1ccccc1 672667398 BTZVJKPGEGQZRC-CZUORRHYSA-N 272.392 3.578 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1NCc1ccccc1 677910647 FRBBJZMQEATOKY-AWEZNQCLSA-N 280.371 3.603 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](CCC)c1ccccn1 678841077 OCVPFXXJBQZVMC-GOEBONIOSA-N 289.423 3.967 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1nc(C)c(C)s1 683544255 BYZKUEAYCPILJC-UHFFFAOYSA-N 286.400 3.588 30 20 CHED C#C[C@H](NCc1ccc2nc(C)ccc2c1)C(C)(C)C 702292206 BCCSTSFQXCWGQJ-KRWDZBQOSA-N 266.388 3.681 30 20 CHED C[C@H]1C[C@H](CC(=O)OCCCC#N)CC(C)(C)C1 727557352 JBWKHNWZPOEWFF-QWHCGFSZSA-N 251.370 3.686 30 20 CHED C[C@@H](OC(=O)/C=C\c1ccsc1)c1cccc(C#N)c1 727639674 PKADYMJFXNOWCC-FOQNGQEVSA-N 283.352 3.937 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 727745242 UTIPROANQAXITO-RUDMXATFSA-N 281.286 3.624 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCCOc1ccccc1C#N 727881721 QHOALUUQIQJQSM-CQSZACIVSA-N 289.375 3.553 30 20 CHED C(=NNCc1ccccc1)c1csc(-c2cccs2)n1 728427881 JUGOGOGELXPGMM-UHFFFAOYSA-N 299.424 3.995 30 20 CHED Clc1ccc2c(c1Cl)CCC2=NNc1cnccn1 729141786 FVFWXUOYXZUAAO-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C=CC1CCN(C(=S)Nc2cc(C)cc(C)c2)CC1 731941895 CMDAQHKMUZBGFS-UHFFFAOYSA-N 274.433 3.898 30 20 CHED C#CCOc1ccc(NC(=O)[C@@H](C)CC2CCCC2)cc1 733932217 AFHYSCBMWPKGDA-AWEZNQCLSA-N 285.387 3.854 30 20 CHED COc1cccc(/C=N/[C@@H](Cc2ccccc2)C2CC2)c1O 736430865 LBFUDGODDCAJPH-NNIWKIFQSA-N 295.382 3.841 30 20 CHED CCCCC(COC)=NNc1ncccc1C(F)(F)F 737429514 WUBFNWMFRBBTEJ-UHFFFAOYSA-N 289.301 3.705 30 20 CHED CCCCCCCN(C)Cc1nc(O)c2ccccc2n1 740873949 PUGRDPMLBAITPI-UHFFFAOYSA-N 287.407 3.738 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2ccc(OCC#N)cc2)C1 741795028 WRYZBXVRLPRROH-HUUCEWRRSA-N 272.392 3.599 30 20 CHED C[C@H](NC(=O)/C=C\C1CCCCC1)c1cccc(C#N)c1 743776956 LHJPORFOVVRWAD-BMSUMIBZSA-N 282.387 3.872 30 20 CHED C=C(C)CCOC(=O)C(C)(C)Oc1ccc(OCC)cc1 744303888 COPPUBBJFPQCTB-UHFFFAOYSA-N 292.375 3.752 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2cc(C#N)cn2C(C)(C)C)o1 744361414 AJCVFNSOTYTCIJ-GFCCVEGCSA-N 299.374 3.758 30 20 CHED CSc1ccc(F)cc1C/N=C\c1cccc(O)c1O 745977674 ZZXRGFNFCHHCKD-IUXPMGMMSA-N 291.347 3.578 30 20 CHED CC(CCc1ccc(F)cc1)=NOCc1cccnc1 746588962 VQWVWUUOUHNRDI-UHFFFAOYSA-N 272.323 3.746 30 20 CHED COc1ccc(C)cc1/C=C1/Cc2ccccc2C1=O 747004097 YDDRELCBHDMZGB-PTNGSMBKSA-N 264.324 3.826 30 20 CHED COc1ccc2c(c1)O/C(=C\c1ccc(F)c(F)c1)C2=O 749131540 BUOKYIGEBGFEIA-CHHVJCJISA-N 288.249 3.590 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N[C@@](C)(C#N)C(C)C)cc1C 749605913 FHMUOZNBPSSFQZ-DVBCCOPCSA-N 284.403 3.680 30 20 CHED C[C@@H]1CCC(=NOCc2cccnc2)c2ccccc21 752734687 KKZSWVQAQQJJGL-CYBMUJFWSA-N 266.344 3.900 30 20 CHED C=CCCCCCCCNC(=O)c1c[nH]c2cccnc12 752984103 MBXRFHUBHPTNMM-UHFFFAOYSA-N 285.391 3.819 30 20 CHED C#C[C@H](CC)NC(=O)N(C)Cc1cccc(Cl)c1Cl 753260295 IXHURTDMUVPNFL-LLVKDONJSA-N 299.201 3.547 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C=C1\CC[C@@H](C)C1 753633248 UJSKZTACIXFHQX-GMCKNXKJSA-N 285.343 3.609 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=Cc1ccccn1 753947469 PAHPVGJYCUFQJO-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C#C[C@H](CC)NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 754393479 AFEMUYUUUOHBRN-SOUVJXGZSA-N 269.388 3.504 30 20 CHED C#CC[C@@H](NC(=O)CCCCCC)c1ccccc1 757595532 ASVAYWMEYBWWAR-MRXNPFEDSA-N 257.377 3.838 30 20 CHED C#CC[C@@H](NC(=O)N1CCCC[C@@H]1C(C)C)c1ccccc1 757777053 DSQIMQRKGBKBGH-QZTJIDSGSA-N 298.430 3.971 30 20 CHED CC1CC(C#N)(C(=O)N(C)c2ccc(C(C)(C)C)cc2)C1 758180109 VYRWQPOSNFEZTD-UHFFFAOYSA-N 284.403 3.887 30 20 CHED CC(=NOCC(F)F)c1ccc(Cl)c(Cl)c1O 758902746 JZJGWPDMZPUZEQ-UHFFFAOYSA-N 284.089 3.705 30 20 CHED Cc1cc(C(=O)OCc2cc(F)ccc2C#N)sc1C 759352961 BTZMWQFXXSSYSY-UHFFFAOYSA-N 289.331 3.733 30 20 CHED CCCCCCCCCNC(=O)N1CCOC[C@@H]1C1CC1 760822727 XWEFRMZBLWZEEP-MRXNPFEDSA-N 296.455 3.557 30 20 CHED C=CCC[C@H](Nc1ccc2c(c1)C[C@@H](OC)C2)C1CC1 760884880 JDKRDYQOITYZBZ-ROUUACIJSA-N 271.404 3.957 30 20 CHED CC(=NNc1cnn(C)c1)c1ccc(C(C)(C)C)cc1 761866972 UJTOJIWYSVXJCB-UHFFFAOYSA-N 270.380 3.554 30 20 CHED COc1cc(F)ccc1NN=Cc1ccccc1Cl 761884247 CHRUNRYLOQWDQY-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C#CCCc1noc(-c2ccc(CCCC)cc2)n1 762010069 ZWCFVBHMDKVBPB-UHFFFAOYSA-N 254.333 3.645 30 20 CHED Cc1ccc(F)c(C=NNCc2ccc(Cl)cc2)c1 764719141 TZQKDARKOIOMCE-UHFFFAOYSA-N 276.742 3.911 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1nc(-c2ccccc2)no1 766012120 IGZVAIJFYWCSGG-NSHDSACASA-N 284.363 3.961 30 20 CHED C#CCCCCN[C@@H]1C[C@H](c2ccccc2)C1(C)C 766329075 IOTOIZSXEWCXBF-IAGOWNOFSA-N 255.405 3.962 30 20 CHED C#CCCCN[C@@H](c1ccccc1)c1cccc(F)c1 766727119 XRSCFNUAWHTTBH-SFHVURJKSA-N 267.347 3.918 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1cncc(C)c1 767378449 HCSBRBWMZYBXGS-UHFFFAOYSA-N 279.265 3.643 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(Cl)cc1C 769141412 YDHPQTFGAIFHRB-UHFFFAOYSA-N 264.752 3.741 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(CC#N)CC1 770128344 PRFGEIWTPXJMJB-UHFFFAOYSA-N 293.754 3.687 30 20 CHED C#C[C@@H](C)NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 772976273 KNOQHFQIKLKFMN-QJMZJAKPSA-N 299.370 3.566 30 20 CHED CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1OC 774123098 MLVDBEQJCXEGHI-YCPHGPKFSA-N 272.392 3.818 30 20 CHED O=C1C/C(=C\c2cc(F)ccc2F)C(=O)c2ccccc2N1 774141789 NDKAAUSTURMVCW-YRNVUSSQSA-N 299.276 3.573 30 20 CHED COc1cc(Cl)ccc1N[C@@H]1CCC[C@@H](C#N)C1 774354475 AVPZGWIDCNBITD-ZYHUDNBSSA-N 264.756 3.843 30 20 CHED CC(=NOC1CCOCC1)c1ccc(OCC(C)C)cc1 774452511 YZFLPVMBTQFUDV-UHFFFAOYSA-N 291.391 3.641 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cc1C 776727525 ZEOFOCJEMMUGED-CLTKARDFSA-N 295.313 3.911 30 20 CHED Cc1ccc(OCc2ccc(OCC#N)cc2)c(Cl)n1 777540985 MXSQLEUNAOKGRC-UHFFFAOYSA-N 288.734 3.525 30 20 CHED N#Cc1ccc2c(c1)CCCC2=NNc1cc(Cl)ccn1 777905324 DWZXZGLSNFWJRR-UHFFFAOYSA-N 296.761 3.759 30 20 CHED C=CCN(C)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 779537721 OICNOJWNSFBKRG-UONOGXRCSA-N 266.429 3.666 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1SC 779715824 PJVCNHMGHLMKAB-UHFFFAOYSA-N 261.390 3.931 30 20 CHED CC(=NOCC(C)C)[C@H]1CCN(Cc2ccccc2)C1 779781610 FBPSXLACDPPSOT-KRWDZBQOSA-N 274.408 3.557 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2c(Cl)cnn2C)c1 780184440 QKZISINMVKDFQA-SREVYHEPSA-N 274.751 3.586 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 780591423 KQMTVWSAVZZTSN-MAUKXSAKSA-N 269.388 3.790 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2ccc(C)o2)s1 781646118 OORNWHCCJJNUCI-UHFFFAOYSA-N 281.764 3.799 30 20 CHED COc1ccc(C(=O)/C=C\c2scnc2C2CC2)cc1 782301490 MHIRXRHXHRESBH-HJWRWDBZSA-N 285.368 3.925 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@H]2C[C@]2(CO)C1 783818469 IKGPQEPPASGKPR-LZLYRXPVSA-N 295.467 3.604 30 20 CHED N#Cc1ccc(C(=O)OCCSc2ccccc2)s1 783997923 JZWXPOLZSXGMGP-UHFFFAOYSA-N 289.381 3.569 30 20 CHED CS[C@H](C)CCC(=O)OCc1ccc(C#N)cc1Cl 784241680 PPBPZWXSUVSOQF-SNVBAGLBSA-N 297.807 3.787 30 20 CHED CC#CCCOC(=O)C[C@H](C)c1c[nH]c2ccccc12 786486355 IMLJKWJGQFVTGG-ZDUSSCGKSA-N 269.344 3.618 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1ccc(C)cc1)c1ccco1 789744027 ONCITGKNLKKFOQ-SJORKVTESA-N 285.387 3.919 30 20 CHED C[C@@H]1CC(=NNc2nccn2C)C[C@@H](c2ccccc2)C1 790299956 KVYCGLXESYWEAS-ZFWWWQNUSA-N 282.391 3.792 30 20 CHED C=C(C)CN(Cc1ccccc1)CC(F)(F)C(F)F 791570167 ZVBZUGGHUCNALF-UHFFFAOYSA-N 275.289 3.965 30 20 CHED C=CCCN(Cc1cc(C)ccn1)OCc1ccccc1 792297146 JCVKYQRMWDZVLI-UHFFFAOYSA-N 282.387 3.900 30 20 CHED Clc1cccc(NN=C2CCN(C3CCCC3)CC2)n1 793164093 RXXVZQIUURCOAZ-UHFFFAOYSA-N 292.814 3.541 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@H]2CCC(C)(C)C2)cc1 793353365 SDKRBJBNECHSEL-HOCLYGCPSA-N 286.419 3.988 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC=C(c2ccc(C)cc2)CC1 794627178 MKGLPHMTCKHGHL-SFHVURJKSA-N 282.387 3.551 30 20 CHED C[C@@H](ON=C1CCOc2ccccc21)c1ccc(C#N)cc1 794715851 OMZBIUVBGWSFDY-CYBMUJFWSA-N 292.338 3.823 30 20 CHED COc1ccc(/C=C2/COc3cc(F)ccc3C2=O)cc1C 794728897 WWRADXBVLHUVEK-JYRVWZFOSA-N 298.313 3.801 30 20 CHED N#Cc1cc(/C=C2\CCc3ccc(O)cc3C2=O)ccc1F 794960645 VOCLYFJFYHLGJX-NTUHNPAUSA-N 293.297 3.615 30 20 CHED CC(=NNc1cncnc1)c1ccc(SC(F)F)cc1 794972176 MOSUPAHLQUQNIQ-UHFFFAOYSA-N 294.330 3.627 30 20 CHED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1cccnc1 795982130 QLKCQQLYLVUPMY-GDBMZVCRSA-N 294.354 3.773 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C 796459527 YDBRVGBQSFCIFP-XHSDSOJGSA-N 263.425 3.759 30 20 CHED C=CCC(C)(C)C(=O)OCc1cccc(F)c1F 796461708 NRNIWNJGDQIQMO-UHFFFAOYSA-N 254.276 3.610 30 20 CHED CC(Cn1nc(C)cc1C)=NOC[C@@H](C)CC(C)C 799174131 BJTKCAJRXGFSRU-LBPRGKRZSA-N 265.401 3.575 30 20 CHED C=CCOc1ccc(CNC(=O)C(C)=C2CCCC2)cc1 804140649 RPWCSFVIDRQXEH-UHFFFAOYSA-N 285.387 3.758 30 20 CHED C#C[C@H](NC(=O)NC(CC)CC)c1ccc(Cl)cc1F 804870630 FRJDAIGRZJZXLV-AWEZNQCLSA-N 296.773 3.641 30 20 CHED N#CCCCCCC(=O)OCC(=O)c1ccc(Cl)cc1 805697302 SVIZVBQNBLDYJR-UHFFFAOYSA-N 293.750 3.540 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)Cc2nc(Cl)ccc21 806580007 YHDFVPIHBQEJBS-UITAMQMPSA-N 291.137 3.606 30 20 CHED O=C(/C=C\c1cnccn1)c1cccc(Cl)c1Cl 809153933 ITOCMHFAXFOWFD-PLNGDYQASA-N 279.126 3.680 30 20 CHED C#C[C@H](C)NCc1csc(-c2ccc(Cl)cc2)n1 809684016 WVMZURLOYHUFAH-JTQLQIEISA-N 276.792 3.575 30 20 CHED c1ccc(C[C@H]2CCCC2=NNC[C@H]2CCSC2)cc1 811659666 VZKKQSDFPWPNJC-HZPDHXFCSA-N 288.460 3.728 30 20 CHED Cc1ccc2c(c1)/C(=C\c1ccc(C#N)cc1F)C(=O)N2C 811701063 RYCUXAZHGFRNOI-OQLLNIDSSA-N 292.313 3.523 30 20 CHED C(=NOCC1CC1)c1c(-c2ccccc2)nc2sccn12 814241296 IRPGMFZQFQXAGV-UHFFFAOYSA-N 297.383 3.823 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1nc2ccccc2[nH]1 814708793 MJLBKWLXAPMJDH-LLVKDONJSA-N 281.363 3.681 30 20 CHED CCCNN=C(CSC)c1ccc(C(F)(F)F)cc1 814804230 FZUCHWHZPDRNKH-UHFFFAOYSA-N 290.354 3.772 30 20 CHED CC(=NOCC(F)F)c1nc(-c2ccccc2)cs1 814904193 XLMJJBOOQUDIFS-UHFFFAOYSA-N 282.315 3.816 30 20 CHED CCCC(=NNCC1(C)CCCC1)c1ccccn1 814937346 CNQFJYJZBNIGHU-UHFFFAOYSA-N 259.397 3.756 30 20 CHED CCOc1ccc(NN=Cc2cc(F)ccc2OC)cc1 814984605 DBNAQDGHYYPSMC-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 815030930 UUTLDGMDKXHKFK-GFCCVEGCSA-N 297.345 3.929 30 20 CHED C=CCC(F)(F)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 815133907 BEZSOCBQZFYRBJ-OAHLLOKOSA-N 291.341 3.876 30 20 CHED C=CCC(C)(C)c1noc(C[C@H](O)CC[C@@H](C)CC)n1 815705179 ARCOHXAMDWGYOB-QWHCGFSZSA-N 280.412 3.653 30 20 CHED C=CCC(F)(F)C(=O)O[C@H]1CCOc2c(C)cccc21 816041564 SYIVWQIGUYPHJZ-LBPRGKRZSA-N 282.286 3.573 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H]1CCOc2cccc(C)c21 816096055 QYFSJADICSNWNS-GFCCVEGCSA-N 282.286 3.573 30 20 CHED Cc1ccc(OCCON=Cc2ccccc2F)cc1 824066616 HGIYYDIZTTUERO-UHFFFAOYSA-N 273.307 3.564 30 20 CHED C#CC1CCN(C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 826585900 VLNQHTDYLVLUCY-ZDUSSCGKSA-N 296.370 3.549 30 20 CHED C=CCCCCN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 829510271 AFZUFLFVAPSCSA-QGZVFWFLSA-N 296.455 3.579 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(C(=O)O)cc2)c1 832967103 BZROPRHQKTZWRI-YHYXMXQVSA-N 266.296 3.589 30 20 CHED Cc1ccc(C(C)C)c2c1C(=NNc1ccncn1)CCO2 835000149 ARVSOIMUMLZFLO-UHFFFAOYSA-N 296.374 3.507 30 20 CHED COC(=O)c1cccc(NN=C(C)C2CCCC2)c1F 835019051 LWHNIZASCKFZPE-UHFFFAOYSA-N 278.327 3.590 30 20 CHED C#CC[C@@H](OC(=O)c1cccc(C(F)(F)F)n1)C(C)(C)C 835303442 POMSJWJTMIBRIA-GFCCVEGCSA-N 299.292 3.695 30 20 CHED N#C[C@@]1(C(=O)OC/C=C\c2ccccc2)CC12CCCC2 837908227 SPWQRPWKQHXJIX-OTIVFRFGSA-N 281.355 3.717 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cnn([C@@H](C)CC)c1C1CC1 839038775 ZDWUDXWHGALATG-QWHCGFSZSA-N 288.391 3.690 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(Cl)c(F)c2)C1 839056971 RRWFLFXHSIQLEN-MWLCHTKSSA-N 281.714 3.718 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@]1(C)CC=CCC1 839321397 NBVIMDPRVALLHD-CXAGYDPISA-N 284.359 3.662 30 20 CHED CC1(C)C[C@@H](CNc2nc3ccccc3cc2C#N)CCO1 840312179 JRVOMCQCPMFUCU-ZDUSSCGKSA-N 295.386 3.724 30 20 CHED Cc1c(C(=O)OCCCCC#N)[nH]c2c(Cl)cccc12 840636249 VUKNDZWEOGYXSW-UHFFFAOYSA-N 290.750 3.980 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Oc1cccc(OCC#N)c1 841343040 TUUURPPJHCUCFQ-KBPBESRZSA-N 287.359 3.711 30 20 CHED CCCOc1ccc(COC(=O)[C@](C)(C#N)CC)c(C)c1 847917619 VZIPIEQALUISGV-KRWDZBQOSA-N 289.375 3.767 30 20 CHED Cc1ccncc1[C@H](C)OC(=O)CC1(C#N)CCCCC1 850924129 DQOKIHVHONWEMX-AWEZNQCLSA-N 286.375 3.858 30 20 CHED CC(=O)c1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)c(F)c1 851205793 KBUGGLJCYVLBOP-SNVBAGLBSA-N 291.322 3.513 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCc1cccs1 851213539 RDLDFWYJXYSIAO-NSHDSACASA-N 265.378 3.552 30 20 CHED Clc1ccccc1NN=C[C@@H]1CC1(Cl)Cl 853257425 ZCXVBFSFFVJKEJ-ZETCQYMHSA-N 263.555 3.932 30 20 CHED Cc1ccc(NN=C2[C@H]3CCCO[C@@H]3C2(C)C)cc1F 853438560 GVJZRHRZMGHJJL-DOMZBBRYSA-N 276.355 3.737 30 20 CHED c1cc2c3c(c1)C(=NOCC1CCC1)CC[C@H]3CN2 853440322 DEMYHXMKWORTBX-LBPRGKRZSA-N 256.349 3.510 30 20 CHED C#CCCCCCC(=O)NCCc1ccc(C)c(C)c1 855615641 OHQPMBJOYRMVGB-UHFFFAOYSA-N 271.404 3.546 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)o1 858320965 ORPAFZRNEXOLLD-HNNXBMFYSA-N 272.735 3.582 30 20 CHED CCCCCCCN[C@@H](Cc1ccccc1)[C@@H](C)N 863540008 PKWDGJUPKVCDDW-WBVHZDCISA-N 262.441 3.505 30 20 CHED CC(=O)[C@@](C#N)(CCN1[C@@H](C)CCC[C@H]1C)c1ccccc1 878088573 SNZFBPNMRUZIHF-FCEWJHQRSA-N 298.430 3.690 30 20 CHED CC[C@H](C#N)C(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 882221544 XOGKWQYJVKBQIO-SNVBAGLBSA-N 298.308 3.606 30 20 CHED C=CCC1(O)CCN(Cc2ccc(Cl)cc2C)CC1 886776462 HFYOCHNFVDUNMS-UHFFFAOYSA-N 279.811 3.551 30 20 CHED C=C1CC(c2noc(CC[C@H]3CC3(Cl)Cl)n2)C1 896874399 MQDFIRNYXGPHSF-VIFPVBQESA-N 273.163 3.630 30 20 CHED C=C1CC(c2noc([C@H]3C[C@@H]3c3ccc(F)cc3)n2)C1 896885239 ZJPLNCVSBXYHDO-KGLIPLIRSA-N 270.307 3.913 30 20 CHED C=C(C)C[C@H](N[C@H]1CCC[C@@H](CC(C)C)C1)C(=O)O 901682509 UXZPMRFNDBSFTL-KKUMJFAQSA-N 267.413 3.600 30 20 CHED COc1cc(Cl)ccc1[C@@H](C)NCC1(C#N)CCC1 903035380 NSHKRIFSGWKJQF-LLVKDONJSA-N 278.783 3.693 30 20 CHED C=C[C@](C)(CC)c1nc(CCCCSC)no1 903786013 UFIHLUMJZLFTPN-CYBMUJFWSA-N 254.399 3.609 30 20 CHED C=C(Cl)C[C@@H](NC[C@H](CCC)c1ccccc1)C(=O)O 904025975 MILMEWAYRUDEGQ-LSDHHAIUSA-N 295.810 3.756 30 20 CHED C=CCSc1nc2ccccc2n1CN1C2CCC1CC2 912786536 MCNDAKMSPQIIGI-UHFFFAOYSA-N 299.443 3.899 30 20 CHED C[C@@H]1CCCC(=NNc2nncc3ccccc23)C1 915914730 WZANGSQEWOFFOM-LLVKDONJSA-N 254.337 3.608 30 20 CHED CCC(=NNc1cncc(Cl)n1)c1ccc(CC)cc1 915959621 TZVYGCSXRAXPNH-UHFFFAOYSA-N 288.782 3.919 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1cccc(F)c1 915977304 YLUHQRMSSSEIGN-UHFFFAOYSA-N 278.277 3.618 30 20 CHED C/C(=C\C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 917621511 UYELVFSOOZZKSE-BUHFOSPRSA-N 276.339 3.795 30 20 CHED CCCCCCCCC(=O)NCc1ccoc1C 919758746 FCWPVMCEOIYQCW-UHFFFAOYSA-N 251.370 3.955 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2ccc(F)c(F)c2)c1 920387120 LKBSWAKYGPGCQH-VXLYETTFSA-N 291.297 3.688 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccccc2)c1O 920943585 QZYHMJQOOXYRSW-SXGWCWSVSA-N 290.706 3.573 30 20 CHED C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccc(C#N)cc1 921516982 WXZRGBXRZSINLQ-KGLIPLIRSA-N 292.382 3.732 30 20 CHED CO[C@H]1CCOc2c(N[C@H](C)CC(C)(C)C#N)cccc21 926327872 JOJQLFBDOPEMHE-DOMZBBRYSA-N 288.391 3.897 30 20 CHED C=C[C@H](CC)CC(=O)N(CC(C)C)CC(F)(F)F 930786771 MSYUFTDICURGSB-LLVKDONJSA-N 265.319 3.636 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2cc(F)ccc2[C@@H]1C 933268940 CIBVOZJBAIXJLF-QWHCGFSZSA-N 275.367 3.874 30 20 CHED Fc1ccc(CNN=Cc2ccc(Cl)s2)cc1 1116288647 NZRTZZCLHFQGFX-UHFFFAOYSA-N 268.744 3.664 30 20 CHED Fc1cccc(Cl)c1NN=Cc1cccc2c[nH]nc12 1116653240 FZSKJWCJQSIQRF-UHFFFAOYSA-N 288.713 3.801 30 20 CHED CCc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1CC 1118771905 UBDRJIFREKOCAQ-AWEZNQCLSA-N 284.403 3.577 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](F)Cc1ccccc1 1120814164 XUKAYDFHWOQFPF-JKSUJKDBSA-N 275.367 3.524 30 20 CHED CC1=C(C(=O)[C@@H](C#N)c2nc3cccc(Cl)c3[nH]2)CCC1 1123248031 PMWWEWFMYDKOBL-LLVKDONJSA-N 299.761 3.893 30 20 CHED CCCC[C@@H](CC)CC(=O)Nc1cc(C)c(C#N)cn1 1130504795 UTKGWCGZAKYNDE-CYBMUJFWSA-N 273.380 3.807 30 20 CHED Cc1cc2c(NC(=O)[C@H]3CCCC[C@H]3C)n[nH]c2cc1C#N 1164586846 CPDNDXVLIVEXMF-MFKMUULPSA-N 296.374 3.508 30 20 CHED N#CC1(CCN2CCOc3cc(F)ccc32)CCCCC1 1191021381 FELNIMVRBXPTCU-UHFFFAOYSA-N 288.366 3.889 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1 1219799026 CBDBHAXYEIUVEH-RISCZKNCSA-N 289.354 3.788 30 20 CHED CS[C@H](C)[C@@H](C)OC(=O)CC1(C#N)CCCCC1 1263478677 FOBQBZXKNAZOIF-VXGBXAGGSA-N 269.410 3.534 30 20 CHED CCO[C@@H]1C[C@@H](Nc2snc(C)c2C#N)C1(CC)CC 1306981038 BFTAOBSHTASUPO-CHWSQXEVSA-N 293.436 3.719 30 20 CHED N#Cc1nc(N2CCCc3ccccc3CC2)ccc1Cl 1307120661 ROLNNLRBHGEUQS-UHFFFAOYSA-N 297.789 3.602 30 20 CHED C=C(Cl)COC(=O)COc1ccc(Cl)c(CC)c1 1317968689 AKQDBDDUVAVBSN-UHFFFAOYSA-N 289.158 3.577 30 20 CHED C=CCOc1ccc(CNC2(C)CC2)cc1Cl 1318581193 LOQGFCDDJMYFLZ-UHFFFAOYSA-N 251.757 3.547 30 20 CHED CC(C)(C)ON=Cc1c[nH]nc1-c1c(F)cccc1F 1320324895 BLNMLLUOGILQPN-UHFFFAOYSA-N 279.290 3.504 30 20 CHED C#CCCCNC(=O)c1nc(-c2ccccc2)oc1C(C)C 1321009329 CTQVRWGCTNIIFF-UHFFFAOYSA-N 296.370 3.608 30 20 CHED CC[C@H](C#N)NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1323990073 USTKPYGBTGMQEW-SNVBAGLBSA-N 299.201 3.689 30 20 CHED Cc1cccnc1[C@@H](C)Nc1snc(Cl)c1C#N 1337323933 HCGLJDVCTHNTJD-MRVPVSSYSA-N 278.768 3.545 30 20 CHED C=CCn1c(C(F)F)nnc1N(C)[C@@H](C)c1ccccc1 1342367151 KLDCDHJWBHJZGG-NSHDSACASA-N 292.333 3.599 30 20 CHED Cc1ccccc1-c1cnc(CON=CC2CC2)o1 1347253457 OYIXEIHEGHLWBS-UHFFFAOYSA-N 256.305 3.562 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1cc(C#N)ccc1F 1349990356 GAGIQJNZAWLBQW-UHFFFAOYSA-N 296.345 3.668 30 20 CHED C=C(C)CCC(=O)Nc1cccc2c1CN(CCC)C2 1357901514 UDXZBZNMCFZFFT-UHFFFAOYSA-N 272.392 3.707 30 20 CHED CCCc1csc(NC(=O)[C@H](CC#N)c2ccccc2)n1 1435766118 WCGXYVRKRGTDKY-CQSZACIVSA-N 299.399 3.732 30 20 CHED CC(C)c1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cn1 1439539585 MSWHEHLLLQMOHO-INIZCTEOSA-N 293.370 3.841 30 20 CHED N#CCc1cccc(Nc2ncnc3ccc(F)cc23)c1 1458378732 KVTDPEDDWUUOON-UHFFFAOYSA-N 278.290 3.579 30 20 CHED CC(=O)c1cccc(CNc2ncc(Cl)c(C)c2C#N)c1 1472820073 AWRPMKRGDDVCFP-UHFFFAOYSA-N 299.761 3.730 30 20 CHED N#Cc1cc(Cl)ccc1CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 1473509920 QXDVHRDVUNNUEZ-IYVPYFHTSA-N 286.806 3.690 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)ccc1F 1523817497 GJZYBDHHDSQAMV-KGLIPLIRSA-N 288.366 3.644 30 20 CHED N#Cc1ccc(F)c(NC(=O)C/C=C/c2ccc(F)cc2)c1 1528456245 JEXHJCCRILDJNQ-OWOJBTEDSA-N 298.292 3.878 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H]1CCC[C@H]1C(C)(C)C 1583671794 PYGDHJPXRJCMJA-CVEARBPZSA-N 284.403 3.811 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cc3ccccc3o2)n1 1587096387 JFHOCHUGANOGHC-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CCc1ccc(C)nc1NC(=O)c1ccc(Cl)c(C#N)c1 1587211096 YJNNDCREIISBOH-UHFFFAOYSA-N 299.761 3.730 30 20 CHED C=CCC[C@H](CC)Nc1ccc(C(=O)O)cc1OC 1588777682 FVDYWILAAZWKJU-LBPRGKRZSA-N 263.337 3.550 30 20 CHED C=CCCCCCCN[C@@H]1CC[C@H](CC(=O)O)[C@@H]1C 1588798619 LXWPGJIIEBEBOL-RRFJBIMHSA-N 267.413 3.602 30 20 CHED CCCCCCCC(=O)N[C@]1(C(=O)O)CCCC(C)(C)C1 1595702242 FOIBFSLTORWVRD-QGZVFWFLSA-N 297.439 3.887 30 20 CHED C=C(C)CCC(=O)O[C@H]1CCCc2cc(C(=O)O)ccc21 1602761121 VKXKSGYGWBXXST-HNNXBMFYSA-N 288.343 3.662 30 20 CHED C=CC[C@H](Sc1ccccc1Br)C(=O)O 1602850130 UCZIAVVEXOINBE-JTQLQIEISA-N 287.178 3.571 30 20 CHED N#CCCN(Cc1ccc2[nH]ccc2c1)Cc1ccco1 1621210237 KFIZHMYKVHZWBL-UHFFFAOYSA-N 279.343 3.677 30 20 CHED CC1(CCC(=O)Nc2cc(C#N)ccc2NC2CC2)CC1 1626029397 KTSDHJHTOYCBFH-UHFFFAOYSA-N 283.375 3.651 30 20 CHED N#Cc1cncc(Nc2cccc(-c3cccs3)c2)n1 1639396104 WGDQNUQAPDWURS-UHFFFAOYSA-N 278.340 3.820 30 20 CHED C=CCCCCN(Cc1ccc(C(=O)O)cc1)C1CC1 1776173719 HGVYLWWMCONYGB-UHFFFAOYSA-N 273.376 3.706 30 20 CHED CCc1ccc(CCC(=O)Nc2ccc(C#N)cc2)cc1 22394138 BZTDLSCDBRPFLJ-UHFFFAOYSA-N 278.355 3.692 30 20 CHED N#Cc1ccccc1CN1CCC[C@H]1Cc1ccccc1 25359495 MXALUANWWYWQEN-IBGZPJMESA-N 276.383 3.765 30 20 CHED N#Cc1ccc(OCCCc2ccccc2)c(F)c1 45627692 OTUVUAJXXKGYNZ-UHFFFAOYSA-N 255.292 3.709 30 20 CHED C=CCOc1ccc(C(=O)N(C)c2ccccc2)cc1OC 53681100 METMKLWAIZTCJF-UHFFFAOYSA-N 297.354 3.537 30 20 CHED C=CCN(Cc1cccs1)Cc1ccc(C#N)cc1F 53897067 KITVNDFAHMPMSU-UHFFFAOYSA-N 286.375 3.947 30 20 CHED N#CCCCSc1nnc(CCC2CCCCC2)o1 66257496 UZRBCKWMPWPMCF-UHFFFAOYSA-N 279.409 3.978 30 20 CHED CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@@H](C)C(C)C 67703455 OFUNRIWLGUYZDJ-KGLIPLIRSA-N 287.407 3.695 30 20 CHED CC(C)[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 71029245 OYGMQBJJCLNGMD-QGZVFWFLSA-N 256.393 3.816 30 20 CHED CCCCCNCc1cn(CCC#N)nc1-c1ccccc1 72712524 DXBPWTGNNNLCOG-UHFFFAOYSA-N 296.418 3.744 30 20 CHED Cc1ccc(CC(=O)N(CCC#N)c2ccc(F)cc2)cc1 74393557 PWXSEUKFHIZXEH-UHFFFAOYSA-N 296.345 3.624 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(CC)CC1 78356727 YQVYMPUPGJZZPH-UHFFFAOYSA-N 299.418 3.670 30 20 CHED CC1(C)CCC(NCc2cc(C#N)ccc2F)CC1 79679043 NMIIBKRORAYNFJ-UHFFFAOYSA-N 260.356 3.756 30 20 CHED Cc1ccc(C)c(CS(=O)(=O)CCCC(C)(C)C#N)c1 83026016 HMJAQYSUCYDPOU-UHFFFAOYSA-N 293.432 3.548 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2cc(C#N)cs2)CC1 84111739 IOLMAFSVGKWNLY-CYBMUJFWSA-N 276.405 3.518 30 20 CHED CCCC[C@H](CC)CNCc1cc(C#N)cs1 93492049 XJKXWZLZOFMOCK-LBPRGKRZSA-N 250.411 3.926 30 20 CHED N#Cc1csc(CN2CCC[C@@H](Nc3ccccc3)C2)c1 93704454 HFHFCPLRJQPBDT-MRXNPFEDSA-N 297.427 3.696 30 20 CHED N#Cc1ccncc1NCCCSc1ccc(F)cc1 94131722 UFPIZGJVPWLDDP-UHFFFAOYSA-N 287.363 3.687 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1ccc(F)cc1C#N 97472514 FQLYWWDJWNRGIM-NSHDSACASA-N 277.343 3.644 30 20 CHED CC(C)CN(CCC#N)Cc1cc(F)ccc1Cl 98060034 SDFOZWGLQZEYMN-UHFFFAOYSA-N 268.763 3.851 30 20 CHED C=CCCC(=O)N(Cc1ccc(CC)cc1)C1CC1 102226314 LHVCTTJQIJNSNF-UHFFFAOYSA-N 257.377 3.706 30 20 CHED C=C(Cl)COC(=O)C1(c2cccc(F)c2)CCCC1 104775013 KOMWIWUISIDSAT-UHFFFAOYSA-N 282.742 3.933 30 20 CHED CCCCCCCCCC(=O)Nc1ccccc1C(N)=O 108505152 URVVEKCRIQQMPR-UHFFFAOYSA-N 290.407 3.865 30 20 CHED C=C1CCN(C(=O)COc2ccccc2C(C)(C)C)CC1 111074627 PYQWSAGOQSMRAM-UHFFFAOYSA-N 287.403 3.542 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1cccc(C)n1 118970846 NFGNFYJGFNAFKY-QGZVFWFLSA-N 284.403 3.822 30 20 CHED C=C[C@H](C)NC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 119782212 IHVHQINQLWZQJA-JYJNAYRXSA-N 281.440 3.833 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1 119790394 RBQYEHZKHQNPBY-INIZCTEOSA-N 285.391 3.795 30 20 CHED C=CCC[C@H](N[C@H](C)C[C@H](O)c1ccccc1)C1CC1 120646603 ITZGUESGZVKPNO-JLSDUUJJSA-N 273.420 3.833 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 120876828 VHJJITJOIKRKKG-UHFFFAOYSA-N 274.320 3.610 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1cccc(C#N)c1)C2=O 122559497 UDXNRXMJCKVGIH-LFIBNONCSA-N 289.334 3.916 30 20 CHED CC(C)(C)[C@H]1CCN(c2nc3ccccc3cc2C#N)C1 128451801 VTIROGIHOJSLPL-HNNXBMFYSA-N 279.387 3.979 30 20 CHED N#Cc1cccc(COc2cccc(C(F)(F)F)n2)c1 131312384 XUCCLYHPXHVADY-UHFFFAOYSA-N 278.233 3.551 30 20 CHED C=C(Br)CNCc1ccc(OCCCC)cc1 134402446 JIMWXGRNNHRVDJ-UHFFFAOYSA-N 298.224 3.864 30 20 CHED Cc1cnc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 134900404 OCVVTVUDDYEJSL-VXGBXAGGSA-N 271.389 3.735 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(Br)c(F)cc1O 134928763 ARKIVHWKERXDOJ-HTQZYQBOSA-N 288.160 3.519 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCCc1nc2ccccc2[nH]1 134982985 MAQVMJHRGXNARZ-GOSISDBHSA-N 299.418 3.556 30 20 CHED CC[C@@H](Nc1nccc(C)c1C#N)c1ccccc1 135074731 KIOROJBHYXWYGJ-OAHLLOKOSA-N 251.333 3.825 30 20 CHED Oc1ccc(SCC#Cc2ccc(F)cc2)cc1 135293507 BFVGDDRDENFNSM-UHFFFAOYSA-N 258.317 3.675 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 135669942 YSFXHSQNUIQMDC-JTQLQIEISA-N 260.337 3.610 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(Br)ccc1C 136196618 DNXQBRQNSDDARU-CYBMUJFWSA-N 295.180 3.636 30 20 CHED C=CC[C@H](C)NC(=O)CCCOc1ccc(C)cc1C 152366313 SBILXLGAYGNLNR-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C=C(C)CNC(=O)c1ccc(COc2ccccc2)cc1 153014793 ZGJDAIBHOHMOAQ-UHFFFAOYSA-N 281.355 3.572 30 20 CHED CC[C@H](CC(=O)N(C)C1(C#N)CCC1)c1ccc(C)cc1 157032299 IPLBBDQWZCKSEJ-OAHLLOKOSA-N 284.403 3.783 30 20 CHED C#CC[C@@H](OC(=O)c1cccc(C)c1Cl)c1ccccn1 160203241 PIXQHJJAIBOKKC-OAHLLOKOSA-N 299.757 3.965 30 20 CHED C=CCN(C)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 161615702 CAKODVNUYGZOIT-UHFFFAOYSA-N 285.309 3.627 30 20 CHED C=CCN(C)C(=O)C[C@H](C)c1ccccc1C(F)(F)F 161866104 JZZKYUPHLDREHQ-NSHDSACASA-N 285.309 3.843 30 20 CHED C[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(C#N)cc1 162629466 ICLBSLYDGIPENG-LBPRGKRZSA-N 295.773 3.934 30 20 CHED N#Cc1ccc(OCCNc2cccc(C(F)F)c2)cc1 170642792 CBPJJHBDUUHMNV-UHFFFAOYSA-N 288.297 3.987 30 20 CHED CC(C)C[C@H](NC(=O)NCCCCC#N)c1ccccc1 170886787 UUVUWZFDFMDEIL-INIZCTEOSA-N 287.407 3.767 30 20 CHED C#CCN(Cc1nccn1C(C)C)[C@H]1CCc2ccccc21 171626839 CWKLZMOWHJJZAN-SFHVURJKSA-N 293.414 3.587 30 20 CHED C[C@@H](OC(=O)CCc1cccs1)c1ccc(C#N)cc1 175790692 VFCSZWATKYCSNK-GFCCVEGCSA-N 285.368 3.857 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(Oc2ccccc2)o1 175867619 XYTOFAQSGOAKCD-UHFFFAOYSA-N 283.327 3.886 30 20 CHED N#Cc1ccc(CNCCc2cc3ccccc3o2)s1 176973738 PXAOVCUDWVQIOY-UHFFFAOYSA-N 282.368 3.698 30 20 CHED N#Cc1csc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)c1 177692393 DIEQUEMRORITBQ-SJORKVTESA-N 298.411 3.630 30 20 CHED CCC1(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCC1 178333951 GMRZBKGUXHIAGC-UHFFFAOYSA-N 288.395 3.569 30 20 CHED Cc1cccc(C)c1C(=O)N[C@H](C#N)c1ccccc1Cl 179548983 DGEFPSHLRFLEKC-OAHLLOKOSA-N 298.773 3.952 30 20 CHED CCN(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C#N 181566868 JEUAPVQHVTTYMJ-SECBINFHSA-N 257.164 3.727 30 20 CHED Cc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1F 181792419 NHADKEVUOBYZPX-UHFFFAOYSA-N 282.318 3.577 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1O[C@H](C)C#N 182038471 QFGBIJQPJGFTNP-CYBMUJFWSA-N 284.359 3.684 30 20 CHED Cc1ccccc1CNc1ccccc1O[C@H](C)C#N 182547526 LFUOKCYVRFGGBK-CQSZACIVSA-N 266.344 3.898 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc2c(cc1C)OCO2 183783976 PNLBBBURKIALCV-LBPRGKRZSA-N 290.363 3.590 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@H](C)c2ccccc21 185332789 XTFXNWDATKISCF-CYBMUJFWSA-N 255.361 3.576 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc(Cl)c(F)c1 186787935 DUDSVHNADXDLED-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCC1(C(=O)NCCc2c[nH]c3c(C)cccc23)CCC1 188049480 VCWLTKHROWFBOS-UHFFFAOYSA-N 296.414 3.881 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)c2ncccc12 188102649 PRCDXZQEANVOCS-SFHVURJKSA-N 298.386 3.711 30 20 CHED N#Cc1cccc(CNC(=O)c2ccc(C3CCC3)cc2)c1 188148755 MTMIJCBJUQZFNE-UHFFFAOYSA-N 290.366 3.756 30 20 CHED C=CC[C@H](C(=O)NC[C@H](OC)C(C)(C)C)c1ccccc1 188365272 HTBDUDNPTDFHJZ-HOTGVXAUSA-N 289.419 3.524 30 20 CHED Cc1c(N[C@H]2CCC[C@H](C#N)C2)cnn1C1CCCC1 193385747 WPLYMOUZIXOOMZ-KBPBESRZSA-N 272.396 3.801 30 20 CHED COc1cccc(/C=C/C(=O)c2ccccc2C#N)c1F 195503840 KIHRPYXVDMARBB-MDZDMXLPSA-N 281.286 3.602 30 20 CHED C=CCSCCNC(=O)CCCC1CCCCC1 195728631 JEGKVEUPWCNPGX-UHFFFAOYSA-N 269.454 3.772 30 20 CHED COc1ccc(C)cc1COc1ccc(C#N)cc1F 225240156 AKZMRUZKITYSQF-UHFFFAOYSA-N 271.291 3.593 30 20 CHED Cc1ccc(C#N)cc1OCc1cccc([N+](=O)[O-])c1C 229947944 NCNOUXRNHAHKIH-UHFFFAOYSA-N 282.299 3.662 30 20 CHED CCC[C@H]1CCCCN1c1nccc(C#N)c1Cl 233385082 LXUVQMHTOSVSNV-LBPRGKRZSA-N 263.772 3.766 30 20 CHED COc1cc(CN2CCC[C@H]2C2CCCC2)ccc1C#N 234994845 RJUKMSTUWPNAHB-KRWDZBQOSA-N 284.403 3.721 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](C)[C@H]2C)cc1 245560741 NESXMCKYSHCGSQ-RBSFLKMASA-N 272.392 3.598 30 20 CHED C[C@@H]1[C@@H](NCc2cccc(OCC#N)c2)CCC[C@H]1C 252426361 USIMEYMCLGQEPT-KEYYUXOJSA-N 272.392 3.503 30 20 CHED N#Cc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)s1 255042580 PTIOFKPMLKODPJ-JXMROGBWSA-N 269.300 3.581 30 20 CHED Cc1ncccc1/C=C\C(=O)c1cc(Cl)ccc1O 255192047 YWUCJMKDCVTPFP-XQRVVYSFSA-N 273.719 3.645 30 20 CHED Oc1ccc(C=Nc2ccc(Cl)c(Cl)c2)c(O)c1O 255497267 DYXLLVXVCFJLGA-UHFFFAOYSA-N 298.125 3.861 30 20 CHED N#CC1(C/N=C(/Nc2ccccc2)N2CCCCC2)CCC1 263153166 PQFIMHSJUPGBGN-UHFFFAOYSA-N 296.418 3.634 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C(C)=O)c(C)c1)OCC 270414597 LUECDJLAXRSBNB-MRXNPFEDSA-N 289.375 3.507 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(OC)c(C)c2)no1 273729156 APNKGDHEHMLAAC-LBPRGKRZSA-N 288.347 3.707 30 20 CHED C=CCCc1nc(-c2cc(Cl)c(O)c(OCC)c2)no1 277858586 JYQIRWIYNAMKCO-UHFFFAOYSA-N 294.738 3.613 30 20 CHED COc1ccccc1C[S@@](=O)CCCCC(C)(C)C#N 278166730 DMSOYMLGDZVRLW-FQEVSTJZSA-N 293.432 3.664 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1c(C)cc(C)cc1O 285036873 HXLXSPOBXUDKNE-RKVPGOIHSA-N 289.419 3.641 30 20 CHED CC[C@@H](C)[C@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 285046493 JPQQBKLIJDSVDL-NEPJUHHUSA-N 290.382 3.526 30 20 CHED CCC[C@@H](CC)NC1CCN(c2ccc(C#N)cc2)CC1 285535391 BXIZVTFRPYFLGE-MRXNPFEDSA-N 285.435 3.695 30 20 CHED Cc1cc2cc(CN[C@@H]3CCC[C@@H](C#N)C3)ccc2[nH]1 285544553 DMFCSCKJAVVYAW-CZUORRHYSA-N 267.376 3.648 30 20 CHED C[C@H](CF)NC(=O)Nc1ccccc1S[C@H](C)CC#N 286926701 HTXCJNBVAYHKTJ-GHMZBOCLSA-N 295.383 3.560 30 20 CHED Cc1ccc(C)c(CC(=O)Nc2scc(C)c2C#N)c1 288880604 RMJGEOZJLPXRFX-UHFFFAOYSA-N 284.384 3.726 30 20 CHED Cc1csc(NC(=O)CCO[C@@H](C)CC(C)C)c1C#N 288882515 RQTILKJICXICNH-LBPRGKRZSA-N 294.420 3.708 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC=C(c2cccnc2)C1 289408635 SUASEQNPVKQOKN-HNNXBMFYSA-N 289.382 3.804 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cscc2C)cc1 290187712 MDDNOVARMOOJIZ-OAHLLOKOSA-N 284.384 3.614 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(C2CC2)n(C)n1)c1ccccc1 290477682 GXLSUZMBNKESEY-OAHLLOKOSA-N 295.386 3.596 30 20 CHED C=C[C@H](CC(=O)N1CC(C)(C)[C@H]1C1CC1)c1ccccc1 291115449 MXIZDJPAGAABIN-RDTXWAMCSA-N 283.415 3.993 30 20 CHED CCCc1nc(C)c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)o1 292256191 PQRBAOTYCWMRMJ-LBPRGKRZSA-N 298.342 3.725 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(CCC#N)Cc1cccnc1 294638380 GQFINEBXSDHWOX-DLBZAZTESA-N 299.418 3.540 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)[C@@H](C)c1ccccc1 295138704 IVGKQAITYCPIQW-VCBZYWHSSA-N 296.414 3.769 30 20 CHED CCC1(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 296226208 FANPXWGOEOPILW-UHFFFAOYSA-N 271.364 3.552 30 20 CHED C=CCCc1noc([C@H](C)Oc2ccccc2Cl)n1 297302822 MKSHFOCSSAXBEC-JTQLQIEISA-N 278.739 3.982 30 20 CHED CCOC1(C)CCN([C@@H](C)c2cccc(C#N)c2)CC1 298202366 CLUQGZRVOMHAGH-AWEZNQCLSA-N 272.392 3.510 30 20 CHED COc1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1 299392829 RWAVJTAJEMWKIM-CQSZACIVSA-N 280.371 3.760 30 20 CHED CC[C@@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 301581526 TVMRXNYRBGVINX-LLVKDONJSA-N 285.778 3.996 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H](C)Cc2ccccc2F)c1 302130681 XZSVIFBERUVBQE-LBPRGKRZSA-N 296.345 3.943 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1cccc(Cl)c1C#N 309842287 QIYFMHYKGFNFMY-KWQFWETISA-N 252.770 3.518 30 20 CHED COc1cc(C#N)cc(OCCCCC2CCOCC2)c1 313984816 KOQJKTOXNZGKPG-UHFFFAOYSA-N 289.375 3.543 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1 315615006 VNJZTMOZPPERLV-OLZOCXBDSA-N 295.342 3.878 30 20 CHED O/C(CCc1ccco1)=N/C[C@H]1CCO[C@@H]1c1ccccc1 328613085 QRPZGCDENVCFCU-CRAIPNDOSA-N 299.370 3.947 30 20 CHED CC(C)(C)c1csc(N=C(O)C2CCC(=O)CC2)n1 329851734 UAPCWUUATVQADY-UHFFFAOYSA-N 280.393 3.788 30 20 CHED Cc1noc(C)c1C[C@H](C)/N=C(/O)[C@@H]1CC12CCCC2 329925689 KBQPWNJNLOQXJZ-HZMBPMFUSA-N 276.380 3.759 30 20 CHED Cc1cc(/C(O)=N/[C@@H](C)CC(C)C)c2n[nH]cc2c1 330393262 HVOKPOXLXCXFTM-NSHDSACASA-N 259.353 3.611 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/C[C@@H]1CCCCO1 330495272 QRCZNHSDBRGSSA-LBPRGKRZSA-N 296.436 3.524 30 20 CHED CCC1(CC)CCC(N/C(O)=N/C[C@]2(C)CCOC2)CC1 330991970 BCMBTAFSNYPYLX-INIZCTEOSA-N 296.455 3.666 30 20 CHED N#C[C@@]1(C(=O)Nc2cccc3c2CCCC3)CC12CCCC2 333180230 MLKMXDLBQNMCMX-LJQANCHMSA-N 294.398 3.978 30 20 CHED N#Cc1cnc(Oc2ccc(F)cc2F)c(Cl)c1 334311089 GPMLBCYAMCOPRY-UHFFFAOYSA-N 266.634 3.677 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1 335371321 AMGSYTLQZNPNEL-XJKSGUPXSA-N 282.387 3.502 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1ccccc1CC#N 335995593 BVITUGOSXBKQCU-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#Cc1cnc(NCC2CCC(F)(F)CC2)c(Cl)c1 337002629 WANYEPZDZXEUPO-UHFFFAOYSA-N 285.725 3.844 30 20 CHED N#Cc1cccc(NCc2csc3ccccc23)n1 339220343 SOVZAUUWOMIHOH-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CC(C)(CCC#N)CNc1ccc(Cl)cc1C#N 340908756 YMMCGXWHLLJADG-UHFFFAOYSA-N 261.756 3.954 30 20 CHED C[C@H]1CCN(Cc2cccc(C#N)c2F)CC12CCC2 341150787 XWKLDBUFTNFYDV-ZDUSSCGKSA-N 272.367 3.709 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)nc2)n1 341166051 GVRQXTHNZUBYBB-FZMZJTMJSA-N 282.347 3.687 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1sccc1C#N 341796184 KVTNVLJIDQOXLT-SECBINFHSA-N 250.367 3.631 30 20 CHED Cc1nsc(N[C@H](C)Cc2ccccc2F)c1C#N 341841045 NGSYNECKKIZPRU-SECBINFHSA-N 275.352 3.505 30 20 CHED CC[C@@H](NCCCC#N)c1ccc(OC(F)F)cc1 342254222 BMTZQAIETJUTTH-CYBMUJFWSA-N 268.307 3.632 30 20 CHED N#Cc1ccnc(NCC2(c3cccc(Cl)c3)CC2)c1 342348359 KWTNXQNYLAQSCU-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CCN(c1nccc(C#N)c1Cl)[C@H](C)c1cccnc1 342414426 LXVDAVNPDQHEFH-LLVKDONJSA-N 286.766 3.589 30 20 CHED N#CCCCNC(=O)c1ccc(-c2ccccc2Cl)o1 342652393 ORNWLFBAOKEANW-UHFFFAOYSA-N 288.734 3.634 30 20 CHED CS[C@@H](CNc1snc(C)c1C#N)C(C)(C)C 342839634 KNEHFHMJUSIXPM-JTQLQIEISA-N 269.439 3.513 30 20 CHED C=C1CCN(Cc2ccccc2CN2CCC(=C)CC2)CC1 343664821 OSLUKQQKGQZGFY-UHFFFAOYSA-N 296.458 3.991 30 20 CHED CSc1ccc(F)cc1CNCc1ccc(C#N)cc1 344735081 ZTAGTMZVDXWJIX-UHFFFAOYSA-N 286.375 3.709 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cc(C)c(F)c(C)c1 348343763 DJRUIVZZPPYIFQ-UHFFFAOYSA-N 297.333 3.608 30 20 CHED N#CCCCC(=O)NCC[C@H](c1ccccc1)C(F)(F)F 352673453 FKGNHCSUEAMECA-CYBMUJFWSA-N 298.308 3.533 30 20 CHED CCCCc1oc2ccccc2c1CN(C)C(=O)CC#N 355383518 SUADSKBOTXAZJA-UHFFFAOYSA-N 284.359 3.647 30 20 CHED N#CC[C@H](CC(=O)Nc1cc(Cl)ccn1)c1ccccc1 355543803 MLJFTNDBYFVALA-CYBMUJFWSA-N 299.761 3.761 30 20 CHED N#Cc1ccccc1CN(CC1CCC1)CC1CC1 355739025 XGHTZGYGQRECFD-UHFFFAOYSA-N 254.377 3.570 30 20 CHED CN(Cc1csc2ccccc12)c1cccnc1C#N 357184630 LXQLENASTVLQDB-UHFFFAOYSA-N 279.368 3.804 30 20 CHED CS[C@@H](C)CCC(=O)N[C@H](CCC#N)c1ccccc1 358703155 XRCIOEAIENHDBB-DZGCQCFKSA-N 290.432 3.679 30 20 CHED CC(C)CN(Cc1cc(C#N)n(C)c1)Cc1ccccc1F 361498574 UUZMLAAXVCXRPH-UHFFFAOYSA-N 299.393 3.694 30 20 CHED Cc1nc2cc(Cl)c(NC(=O)CCCC#N)cc2s1 362181929 PWVAYZDAUYNZID-UHFFFAOYSA-N 293.779 3.891 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1CCSC1 369492851 WYDSPQLGZYCDHO-USXIJHARSA-N 286.444 3.511 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H](C3CC3)C2)c1 378307893 QUTVCENHQXYKBU-AWEZNQCLSA-N 286.375 3.515 30 20 CHED Cc1nc(Sc2cc(F)ccc2F)ccc1C#N 385918641 JDKRAMXZPXLHNW-UHFFFAOYSA-N 262.284 3.691 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 387879211 WOHKAIDWAOVUJL-VXGBXAGGSA-N 276.767 3.832 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CC12CCOCC2 395643974 GCURDSCWRUMPOD-ZDUSSCGKSA-N 296.292 3.558 30 20 CHED C=CCCCN(C)Cc1csc(Br)c1 404174952 GODBAXGOFTXQLO-UHFFFAOYSA-N 274.227 3.909 30 20 CHED CC[C@H](CC(C)C)C(=O)NC1(c2cccc(C#N)c2)CC1 410604644 UDOVCCKNMCJQBO-OAHLLOKOSA-N 284.403 3.736 30 20 CHED COC[C@H](C)CC(=O)Nc1sc(C(C)(C)C)cc1C#N 411007387 NAPRHEBQJZERAP-SNVBAGLBSA-N 294.420 3.528 30 20 CHED N#CCCNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 411628705 XNZPJCBYVBXQBK-UHFFFAOYSA-N 288.700 3.851 30 20 CHED C=C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c2ncccc12 413277148 ZXGGALILJBFUOF-LBPRGKRZSA-N 283.331 3.688 30 20 CHED N#CC1(CC[S@](=O)c2cccs2)CCCCC1 414250219 RAWOKMLJEXWJDU-KRWDZBQOSA-N 267.419 3.720 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(F)c1C 417500615 AUUKEOAJXMTPPT-NSHDSACASA-N 280.318 3.846 30 20 CHED N#Cc1ccc(OC[C@H]2C[C@H]3CC[C@H]2O3)c2ccccc12 419054654 MJTSYHRJECRTPO-CKEIUWERSA-N 279.339 3.658 30 20 CHED N#CCc1ccc(CSCCn2cc(Cl)cn2)cc1 419597237 ZVFZNEOADWBMFS-UHFFFAOYSA-N 291.807 3.536 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1c[nH]c2cc(C)ccc12 424629244 NXWIBSLCHXCDHB-UHFFFAOYSA-N 284.403 3.737 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(Cl)cc1F 424800565 VCRXTMRXKNFNNM-UHFFFAOYSA-N 269.747 3.698 30 20 CHED Cc1cscc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 429605217 PACOYMWATXBXEQ-LLVKDONJSA-N 295.367 3.731 30 20 CHED N#CCC1(CN[C@H](c2ccccc2)c2ccc(F)cn2)CC1 430751190 SZFCEVAPXZMVMM-QGZVFWFLSA-N 295.361 3.594 30 20 CHED CC[C@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)C(C)C 434030771 JWRAGYLBMSWXMU-KGLIPLIRSA-N 264.413 3.599 30 20 CHED N#CC1(CSc2nc(-c3ccccc3)co2)CC1 436247918 QTTKGMWQWQWLKT-UHFFFAOYSA-N 256.330 3.737 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2ccc3ccccc3c2)C1 442787912 DZQWGWTYMPSWTQ-MAUKXSAKSA-N 264.372 3.664 30 20 CHED C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H](C)C1 443659164 SYPNIEQYNQTCPY-CHWSQXEVSA-N 260.356 3.565 30 20 CHED C=CC[C@H]1N(C(=O)N[C@H](C)CSC)CCCC1(C)C 445132385 ALTBAVLZRDYRBP-CHWSQXEVSA-N 284.469 3.514 30 20 CHED C=CC1CCN(C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)CC1 446290403 XYSCXYVJQLTWRX-ZYHUDNBSSA-N 292.345 3.571 30 20 CHED CC[C@H](NCC1(C2CC2)CC1)c1ccc(C#N)cc1 447576180 WPWBWQZVSYUTSQ-INIZCTEOSA-N 254.377 3.789 30 20 CHED CCCCOc1cccc(NC(=O)c2cc(C#N)[nH]c2C)c1 448769151 HDVLVPSDVMEPJD-UHFFFAOYSA-N 297.358 3.626 30 20 CHED CC(C)(C)CCCCNC(=O)[C@@]1(C#N)CC12CCCC2 448912129 RXXDNNIYYDOGRB-KRWDZBQOSA-N 276.424 3.793 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](c1ccco1)N(C)C 449065404 UFMIQWCBEJEGNF-HUUCEWRRSA-N 264.413 3.607 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccc(OC)c2)CCCC1 449078926 WVUXDXQNPBSEQR-UHFFFAOYSA-N 287.403 3.790 30 20 CHED C=C[C@@H](C)NCc1cnc(CCc2ccccc2)s1 449192630 RHOPASMJRWNKBJ-CYBMUJFWSA-N 272.417 3.592 30 20 CHED C=CC(C)(C)CN[C@@H](C)Cc1ccc(OC)c(OC)c1C 449485357 MEEZBRHANIGROG-ZDUSSCGKSA-N 291.435 3.745 30 20 CHED C=CCn1c(SC[C@H]2CCCC2(F)F)nnc1C1CC1 450650652 NLWMKMSPNDPDEB-LLVKDONJSA-N 299.390 3.869 30 20 CHED N#CC1(CN(Cc2c(F)cccc2F)C2CC2)CCC1 450836476 BBSDIHGRWYBART-UHFFFAOYSA-N 276.330 3.623 30 20 CHED C=CCC1(C(=O)N2CCC([C@@H]3CCCO3)CC2)CCCC1 451017836 QDKKDGBRZQYOQZ-INIZCTEOSA-N 291.435 3.541 30 20 CHED C=CC[C@@H](C(=O)NCCC(C)(F)F)c1ccccc1 452217967 ZNXSRPOVXOPIKM-CYBMUJFWSA-N 267.319 3.508 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)[C@H](C)c1cccc(C#N)c1 452528735 NYYMDCVPLXBHHX-UNEWFSDZSA-N 284.403 3.604 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCN(c3ccccc3)C2)n1 453180622 BBCAMYWHLXHQNH-AWEZNQCLSA-N 297.402 3.917 30 20 CHED C=CCCc1noc([C@@H]2CCOc3ccc(Cl)cc32)n1 453239045 RJLLENXNHBKBMT-LLVKDONJSA-N 290.750 3.756 30 20 CHED CC(C)(C#N)Cc1nc(-c2cccc(C(C)(F)F)c2)no1 453354403 KZKUSVAKIQQEKN-UHFFFAOYSA-N 291.301 3.941 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 454900742 LLAJGCJEIJIPMN-GOEBONIOSA-N 290.382 3.727 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC/C=C\CC 455342790 VQDRYJUMPXWFPX-UITAMQMPSA-N 272.392 3.741 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(c2)CC[C@H]3N(C)C)CC1 456322827 PAFRVMINNSLYHK-QGZVFWFLSA-N 298.430 3.920 30 20 CHED C=CCC1(C(=O)Nc2cccc(CCO)c2)CCCCC1 456894419 JAYZGESFMXBBPP-UHFFFAOYSA-N 287.403 3.687 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H](C)C1CCC1 457542088 REMYKNHQFVEUFG-CYBMUJFWSA-N 264.413 3.601 30 20 CHED CCC[C@H](NC(=O)Nc1ccc(CC#N)cc1)C1CCC1 459323478 JMCAWQJMMMKVMX-INIZCTEOSA-N 285.391 3.843 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(Cc3cccc(Cl)c3)CC2)C1 459648791 AOASLFBSHZGFMX-ZBFHGGJFSA-N 288.822 3.945 30 20 CHED COc1cc2ccccc2cc1CNCC(C)(C)CC#N 459659885 ADFLHHCGHZSBRO-UHFFFAOYSA-N 282.387 3.878 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](CC)C1CCC(C)CC1 461674290 WTWMLDFVNYSEEG-JYVUQVBGSA-N 251.414 3.920 30 20 CHED C=CCC[C@@H](CC)N[C@H](COC)Cc1ccccc1 462110474 ULDYUSZQQMWXPJ-SJORKVTESA-N 261.409 3.579 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(Cl)cc1F 466400179 TXTKKGGBEXIZKY-JTQLQIEISA-N 270.735 3.955 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Oc1ccccc1F 467995020 OAFHLFORDAIXKW-CXAGYDPISA-N 293.382 3.702 30 20 CHED C=CCCCC(=O)N1CC[C@@](C)(c2ccc(C)cc2)C1 469360232 VEGNEDPXRRVKLH-GOSISDBHSA-N 271.404 3.841 30 20 CHED C=CCCCCNC(=O)c1csc2c1CCCC2 472698134 JNBCFBVHFMTWCN-UHFFFAOYSA-N 263.406 3.713 30 20 CHED C=CCCCCNC(=O)Nc1ccc2c(c1)CCC2 473502123 JFIZZZIHHYLOLD-UHFFFAOYSA-N 258.365 3.653 30 20 CHED CCCC(C#N)(CCC)NC(=O)CSCCC(C)C 475732398 QMQSCBOLFATPHG-UHFFFAOYSA-N 284.469 3.744 30 20 CHED C=C(C)CSCCC(=O)Nc1cccc(F)c1C 476996696 BTNPLHQYTBHBAJ-UHFFFAOYSA-N 267.369 3.772 30 20 CHED C=C(C)CN(C)Cc1c(F)cccc1Br 481285608 NLHVDKXNXNKKGH-UHFFFAOYSA-N 272.161 3.596 30 20 CHED CCN(Cc1cc2c(C)cc(C)cc2[nH]1)C[C@@H](C)C#N 481890029 FXXJCBLORXHFHZ-ZDUSSCGKSA-N 269.392 3.766 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1SC 486757327 BANGGUGMGQFMHJ-GFCCVEGCSA-N 276.405 3.981 30 20 CHED Cc1ccc2ncc(C#N)c(OCCCCCF)c2c1 488280674 RAZKXVPRYLSZSQ-UHFFFAOYSA-N 272.323 3.934 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccc(OCC)cc1 488870594 SWDLXWFXVMSINW-INIZCTEOSA-N 287.403 3.585 30 20 CHED N#Cc1csc(CNC[C@@H]2CCCCC(F)(F)C2)c1 491548975 TWZSKUKHAKKFIV-LLVKDONJSA-N 284.375 3.925 30 20 CHED C#CCN(C(=O)c1scnc1C(C)C)C1CCCCC1 491737093 VRNSZRMUWRUOMY-UHFFFAOYSA-N 290.432 3.675 30 20 CHED CC(C)(NC(=O)Nc1cccc(C#N)c1)c1ccccc1F 494471268 WRQPPHIERCLWPX-UHFFFAOYSA-N 297.333 3.754 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(OC)cc1 495157704 OZSWPAYBPQEBJE-HIFRSBDPSA-N 288.391 3.506 30 20 CHED N#Cc1ccc(NCCCOc2ccc(F)cc2)c(F)c1 507028518 YJYISFZIQRBTPS-UHFFFAOYSA-N 288.297 3.717 30 20 CHED Cc1cccn2cc(CSc3ccc(C#N)cc3)nc12 509637868 RHDZUUMIRMBGLX-UHFFFAOYSA-N 279.368 3.807 30 20 CHED C[C@H]1CCCC[C@H]1CCNCc1cccc(C#N)c1 512223574 CRUVMDVRBCYIBI-YOEHRIQHSA-N 256.393 3.864 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1CCC[C@H](OC)C1 512778358 FOQVBKRSUFWYEF-HOTGVXAUSA-N 287.403 3.949 30 20 CHED CCc1ccc(Nc2ncc(C#N)cc2Cl)cc1 513640429 NPFFKJWZSOGQOF-UHFFFAOYSA-N 257.724 3.913 30 20 CHED CN(CCCNc1cccc(CC#N)c1)c1ccccc1 514673253 HDWGQUZYCGPEFJ-UHFFFAOYSA-N 279.387 3.691 30 20 CHED C[C@@H](c1noc(-c2cc(C#N)cc(N(C)C)c2)n1)C(C)(C)C 519559298 TXPFDCBYOUDYPP-NSHDSACASA-N 298.390 3.824 30 20 CHED N#CCc1ccc(NC(=O)CC2(c3ccccc3)CC2)cc1 527701485 PEEYFMZWLARXHT-UHFFFAOYSA-N 290.366 3.813 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@H]1CCCC(C)(C)C1 529471501 YGCMHEMIDDDFLH-ZDUSSCGKSA-N 264.413 3.649 30 20 CHED C=CCC1(C(=O)Nc2ncsc2C)CCCC1 529541807 BZNBRUDVTYXLIB-UHFFFAOYSA-N 250.367 3.527 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C)c(C)c1)OCC 535127026 SSXPVBVMFHPAAE-HNNXBMFYSA-N 261.365 3.613 30 20 CHED C=C(C)COCCN[C@H](CC1CC1)c1ccccc1 536847015 SIHXFXQKUJSMFV-QGZVFWFLSA-N 259.393 3.710 30 20 CHED C=C(CC)CNc1ccc(C(=O)N[C@H](C)CC)cc1C 537993143 IMEXLGFNGUVXBQ-CQSZACIVSA-N 274.408 3.901 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H]1C(C)C 538369645 DOUCHXNRINREOI-LSDHHAIUSA-N 266.429 3.951 30 20 CHED C=CCN(C(=O)NCC(C)(C)c1ccc(C)cc1)C1CC1 539012165 ZRJGMTHPLDCIDR-UHFFFAOYSA-N 286.419 3.633 30 20 CHED CO[C@H]1CCC[C@H]1CNc1ccc(C#N)cc1C(F)(F)F 539234794 UDGBMNXLHVYIHX-FZMZJTMJSA-N 298.308 3.804 30 20 CHED CC1(CNC(=O)c2cccc(C#N)c2)CCCCCC1 540642336 CFIUQGYNZSJTNS-UHFFFAOYSA-N 270.376 3.649 30 20 CHED C=CCCCN[C@H](C)c1nc(-c2ccc(CC)cc2)no1 541685617 RZIDPJMFAYWPKG-CYBMUJFWSA-N 285.391 3.916 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N(C)Cc1ccc(C#N)cc1 544403201 YHJGEPQXDVCPBM-AWEZNQCLSA-N 286.419 3.979 30 20 CHED CC(C)(CC1CCCCCC1)NC(=O)c1ccc(C#N)cn1 547737664 OYMCSXUXYDBWSB-UHFFFAOYSA-N 299.418 3.822 30 20 CHED CCc1ccc([C@H]2CCN(C(=O)[C@](C)(C#N)CC)C2)cc1 554410767 VEBVHELDEIMIMN-WMZOPIPTSA-N 284.403 3.505 30 20 CHED C[C@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2Cl)C[C@@H](C)O1 562427267 RLVNWRROJBLGAW-GFQSEFKGSA-N 292.810 3.818 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCCc2ccccc21 562678704 ZEXAMEMZGXDIND-MRXNPFEDSA-N 286.419 3.918 30 20 CHED Cc1cc(S[C@@H](C)C(=O)NCCC(C)C)ccc1C#N 567861063 IOWAVNKQXQZACD-ZDUSSCGKSA-N 290.432 3.510 30 20 CHED CC(C)(C)[C@H](Nc1ccnc(C#N)n1)c1ccc(F)cc1 570059723 BXJSFUWMZVXIMN-OAHLLOKOSA-N 284.338 3.687 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccc2ccoc2c1 570122317 QPEQOQOVOVFLIP-UHFFFAOYSA-N 283.331 3.590 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cccc(COC)c2)no1 571244397 ZFMMOLJCTORPSH-INIZCTEOSA-N 272.348 3.737 30 20 CHED C=CCCCCS[C@@H]1C[C@H]2CCCC[C@H]2NC1=O 572104451 WPUPJQCHTUVAAG-MGPQQGTHSA-N 267.438 3.523 30 20 CHED CCC(CC)N(Cc1ccc(C#N)c(F)c1)C1CC1 575042942 VIJMKPHDOOXJEJ-UHFFFAOYSA-N 260.356 3.850 30 20 CHED C[C@H](Oc1ccc2c(c1F)CCC2=O)c1cccc(C#N)c1 575478087 YWFPKYOJFYNXMF-NSHDSACASA-N 295.313 3.966 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN2CCC(CCC#N)CC2)o1 575989641 UTSVQLNOPLBBAQ-XJKSGUPXSA-N 272.392 3.919 30 20 CHED Cc1ccc(-c2noc(C3(c4cccc(C#N)c4)CC3)n2)o1 577702078 VFRRXNJHIQHUPM-UHFFFAOYSA-N 291.310 3.590 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc3sccc3c2)no1 577976030 VHJGLQGTILHHAS-RFAUZJTJSA-N 281.340 3.752 30 20 CHED C/C(=C/c1ccccc1OC(F)F)CN(CC#N)C1CC1 578104695 OGJHUNLILZFSQT-BENRWUELSA-N 292.329 3.679 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2c(C)coc2C)cc1 578203239 LVLOESBMYLNPQK-MRXNPFEDSA-N 296.370 3.796 30 20 CHED CN(Cc1cccc(C#N)c1F)c1ccc(F)c(F)c1 580295713 DWVGENKCGPUARQ-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C=C[C@H](Cc1nc(-c2ccn(C)c2)no1)c1ccccc1 582447029 RTTRVXSUEIRCBG-CYBMUJFWSA-N 279.343 3.587 30 20 CHED C=C(C)[C@@H](NCc1nc(C)c(C)[nH]1)c1ccc(F)c(F)c1 582857115 INKNGPMFTPQDPF-MRXNPFEDSA-N 291.345 3.712 30 20 CHED C[C@H](NCCOC(C)(C)C)c1ccc(C#N)cc1Cl 583061954 QMXQBFAOMCHIFN-NSHDSACASA-N 280.799 3.677 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1nc(-c2ccncc2)cs1 583315890 QCSUKFOWQXONAS-OBJOEFQTSA-N 298.415 3.548 30 20 CHED CC(=NOCc1ccccn1)c1cc2ccccc2o1 588477244 DEKJJKDWWYEARR-UHFFFAOYSA-N 266.300 3.769 30 20 CHED C[C@H](C[C@@H]1CCOC1)Nc1ccc(C#N)c(C(F)(F)F)c1 589584787 OSRDKQCDHUTKDG-MNOVXSKESA-N 298.308 3.804 30 20 CHED C[C@@H]1CC2(CCOCC2)CN1CCCCC(C)(C)C#N 592184323 NUXCWZMXPWALPR-OAHLLOKOSA-N 278.440 3.597 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H](C#N)CC 593489353 QUUMZOSPBPRUGZ-SJORKVTESA-N 286.419 3.714 30 20 CHED N#Cc1ccc(CCNCc2ccccc2C2CC2)cc1 594954189 DVMPQSZQMNAHLN-UHFFFAOYSA-N 276.383 3.768 30 20 CHED CC[C@H](N[C@@H](C#N)c1ccccc1)c1nc(C)cs1 595432583 SINUTRICGXFENU-KBPBESRZSA-N 271.389 3.757 30 20 CHED N#C[C@H](c1ccccc1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 595786866 IBAFEHUUBIIQKG-KURKYZTESA-N 284.403 3.532 30 20 CHED Cc1ccc(C#N)nc1NC[C@@H]1SCCc2ccccc21 596152982 VQTDEAUFPHOKLP-INIZCTEOSA-N 295.411 3.704 30 20 CHED CCc1ccc2nccc(N3CCC[C@@H](CC#N)C3)c2c1 596326518 UNFKYVVGFDXHAB-HNNXBMFYSA-N 279.387 3.927 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)c1cc(C#N)c[nH]1 596499692 VEZJQFCVQGWFNT-AWEZNQCLSA-N 289.423 3.955 30 20 CHED COc1ccc(CN2CCC[C@@H](CC#N)C2)c2ccccc12 597174445 QTEWGIYMORXLQO-HNNXBMFYSA-N 294.398 3.974 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCCc3ccc(Cl)cc32)n1 599203881 XDYFCQGZBKPCLW-OAHLLOKOSA-N 298.777 3.800 30 20 CHED CC(C)(C#N)CN[C@H]1CCc2cc(F)c(Cl)cc21 600144685 MLWDPXJVAGBXQS-ZDUSSCGKSA-N 266.747 3.606 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1CC#N 601034958 QLIYOKIAQJRBIN-QGZVFWFLSA-N 292.382 3.504 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)CCC1CCC1 602386803 MDPLNZWXLXSAQY-UHFFFAOYSA-N 274.339 3.571 30 20 CHED Cc1ccccc1[C@H]1CCN(C[C@H](C)CCC#N)C1 602465527 ROIQMWFURMJBST-ZBFHGGJFSA-N 256.393 3.724 30 20 CHED CCc1nc(C)c([C@@H](C)N(C)C[C@H](C)CCC#N)s1 602471230 KUHXKWDCCQHMPC-DGCLKSJQSA-N 279.453 3.947 30 20 CHED C[C@H](CCC#N)CN1CC[C@H](c2ccccc2F)C1 602474702 MZMCKYJVLSPSGB-KGLIPLIRSA-N 260.356 3.555 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Nc1ccc(C#N)cc1 603501113 LBAPECQECMIOSS-TYNCELHUSA-N 271.364 3.504 30 20 CHED CCCN(C(=O)[C@@H]1C[C@@H]1C)c1cc(Cl)ccc1C#N 609286343 VJVWFFDPFCFVPD-GXFFZTMASA-N 276.767 3.611 30 20 CHED C[C@H](NCc1ccnc2ccccc12)c1cccc(C#N)c1 610344929 MZVJRFPZBDCNJR-AWEZNQCLSA-N 287.366 3.957 30 20 CHED CCC[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 610994152 OASLHMIPTKUJIC-CQSZACIVSA-N 272.392 3.579 30 20 CHED CC(C)c1ccc([C@@H](C)N2CC[C@@](F)(C#N)C2)cc1 615646155 RNPGPIWGEIHGLP-CZUORRHYSA-N 260.356 3.809 30 20 CHED CC(C)(C)[C@@H](Nc1cc(C#N)ncn1)c1cccc(F)c1 617959938 MDBPIUATBATVDS-HNNXBMFYSA-N 284.338 3.687 30 20 CHED Cc1ccc(CCCN[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 618562192 FWISTNKZUZZVIC-SJLPKXTDSA-N 270.420 3.908 30 20 CHED CC[C@@H](N[C@H](CO)c1ccccc1C)c1ccc(C#N)cc1 618571608 XLMZSOSTAFLRFO-RTBURBONSA-N 294.398 3.641 30 20 CHED C=CCC1(NC(=O)c2ccc3cnccc3c2)CCCC1 619110232 FPUASNDHQUBIHD-UHFFFAOYSA-N 280.371 3.854 30 20 CHED CCN(Cc1ccoc1)C(=O)C[C@@H](CC#N)c1ccccc1 619433821 LVSQFCGDWCZELG-QGZVFWFLSA-N 296.370 3.716 30 20 CHED COc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 619749117 MIMXXZHYEWUNKV-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccsc1 619749627 MGIMSJIZNGKJHV-JTQLQIEISA-N 271.345 3.502 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1ccccc1F 620858204 AAAFVVQDLYKCGF-LBPRGKRZSA-N 263.356 3.790 30 20 CHED C=CCN(C(=O)C[C@H]1CCO[C@@H](C(C)C)C1)C(C)(C)C 622945281 ZYGIURIFACCQOC-LSDHHAIUSA-N 281.440 3.641 30 20 CHED C=C(CC)CNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 653270000 PXALROQKDQGLNI-HNNXBMFYSA-N 272.392 3.745 30 20 CHED C=CCCN[C@]1(Cc2ccc(Cl)cc2)CCCOC1 661428416 ORNOPVHZNIJJAK-INIZCTEOSA-N 279.811 3.597 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1cccc(OC)c1 663757053 PGTXYWKZKGMMGR-ZDUSSCGKSA-N 290.407 3.800 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cc2ccccc2[nH]1 663868315 YIYBCVJZZDFQEF-UHFFFAOYSA-N 285.391 3.712 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 675933357 CIJFKPRDCZXKKU-UONOGXRCSA-N 289.423 3.785 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCC(F)(F)C1 681605010 LKIHZQLGGDDCKM-LLVKDONJSA-N 297.370 3.882 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCO[C@H](c2ccccc2)C1 682360124 KNLPEZVKQLBYNV-FUHWJXTLSA-N 287.403 3.579 30 20 CHED C=C[C@@](C)(CCOC)c1nc([C@H](C)C(C)(C)C)no1 685315264 DUAFMJUBRRBORV-NHYWBVRUSA-N 266.385 3.699 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(-c2ccccc2)c(C)n1 685677563 VGDDGOGDLUIHBK-GFCCVEGCSA-N 281.359 3.753 30 20 CHED CCOc1ccc(C=NNc2cccc(OC)c2)cc1 725853040 CKUDCVBCBUYLRU-UHFFFAOYSA-N 270.332 3.540 30 20 CHED Cc1nc(-c2ccsc2)ccc1C(=O)OCCCC#N 726228893 BVOIRCIBNFFYQM-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C=CCc1ccc(OC(=O)Cc2cccc(C)c2)c(OC)c1 726752371 OIZYJYFDEMKJHX-UHFFFAOYSA-N 296.366 3.880 30 20 CHED Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccsc1 728439969 IIGQGVPLFZWKDW-IHWYPQMZSA-N 287.171 3.685 30 20 CHED Cc1ncccc1C=NNc1ccc(Br)cc1 728778756 GVICMUMSPPYPJZ-UHFFFAOYSA-N 290.164 3.599 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N(CCC#N)CC2CC2)cc1C 728870422 IZTZZSBSWDOPLG-BQYQJAHWSA-N 296.414 3.777 30 20 CHED Cc1ccc(C)c(C=NNCCCc2ccccc2)c1 729145700 ATCSQFJCXWNWGB-UHFFFAOYSA-N 266.388 3.860 30 20 CHED CC(Cc1ccsc1)=NNc1ccccc1[N+](=O)[O-] 729632454 FBFIJCWTAOZRPM-UHFFFAOYSA-N 275.333 3.687 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(O)cc1F 729932631 HXZOGQXNUACRDN-UHFFFAOYSA-N 280.249 3.646 30 20 CHED CC[C@](C)(NCc1ccc(C#N)cc1)c1ccccc1 730817523 PUCSSKAYPFVJSG-SFHVURJKSA-N 264.372 3.973 30 20 CHED CC(C)Cc1ccc(COC(=O)c2ccc(C#N)cn2)cc1 730894234 GHUCICZLTXXPGP-UHFFFAOYSA-N 294.354 3.509 30 20 CHED Cc1ccc2c(c1)C(=NNc1cnc3ccccc3n1)CC2 730946562 CEJAUVRAJHNRBF-UHFFFAOYSA-N 288.354 3.701 30 20 CHED C#CCOc1ccc(NC(=O)CCCc2ccccc2)cc1 730982488 FVUPUKBNRZLJKS-UHFFFAOYSA-N 293.366 3.660 30 20 CHED CCc1ccc(C(C)=NNc2ccc(F)cn2)cc1 731320227 XGGIVNHOAARMOZ-UHFFFAOYSA-N 257.312 3.619 30 20 CHED C=CC[C@@H](C)NC(=S)NC[C@@H](CC)CCCC 734985422 DSAVYKFZKMZVLE-OLZOCXBDSA-N 256.459 3.632 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CSc2ccccc21 735414944 ODOBKPYISGAJFT-WPBJZHHJSA-N 255.342 3.658 30 20 CHED C=CCCCOC(=O)c1oc2ccccc2c1COC 735528244 NUBJNLZOBZRVDF-UHFFFAOYSA-N 274.316 3.702 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC[C@@H](C2CC2)C1 737416847 VKMXJAHWMSLNFB-GFCCVEGCSA-N 273.336 3.963 30 20 CHED Fc1ccc(NN=Cc2ccc(OCC(F)F)cc2)cc1 741810932 NPCGDSYCZKEHMX-UHFFFAOYSA-N 294.276 3.916 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)c1ccc(C)o1 742531571 MTKQLSOIRIBNSL-HNNXBMFYSA-N 283.371 3.906 30 20 CHED C[C@H](OC(=O)[C@H]1Cc2ccccc21)c1cccc(C#N)c1 744102134 NNONJLNBSFSDOD-SJCJKPOMSA-N 277.323 3.502 30 20 CHED C(=NNc1ncnc2c1oc1ccccc12)c1ccsc1 744788161 FPBXWIQVBDNJCD-UHFFFAOYSA-N 294.339 3.884 30 20 CHED CCCCCCCC(=O)N1CC[C@H](CN(C)CC2CC2)C1 746342915 GZHHARYAXBVTKJ-QGZVFWFLSA-N 294.483 3.537 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2ccccn2)cc1 747626859 ATWUWCNOEVOVJN-GFCCVEGCSA-N 269.348 3.682 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCc3c(F)cccc32)c1 747815060 AICCBCZXEQHSTF-QGZVFWFLSA-N 284.309 3.614 30 20 CHED CC(C)CSCCCN(CCC#N)CC(C)C 751991721 KRICJPDSPGEPDZ-UHFFFAOYSA-N 256.459 3.637 30 20 CHED C[C@H]1CCc2c(C(=O)O[C@@H](C)C(C)(C)C#N)csc2C1 753627592 ZMKLWPMNNBJPHW-QWRGUYRKSA-N 291.416 3.968 30 20 CHED O=C(O)c1cccc(NN=Cc2cc(Cl)ccc2F)c1 753692903 ZVSPDXRRUTYRIM-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=Cc1cccnc1 753947761 SLQNNHSLUPRGTN-UHFFFAOYSA-N 283.228 3.686 30 20 CHED N#Cc1ccc(NN=C[C@H]2C[C@@H]2c2ccccc2)cc1 755650657 DHCXGAQDPSWYPH-NVXWUHKLSA-N 261.328 3.760 30 20 CHED CCCCC=NNc1nc(-c2ccccn2)nc2c1CCC2 755751807 YZEJWUZRCOUJDE-UHFFFAOYSA-N 295.390 3.615 30 20 CHED CC1(C)CCC[C@H](C(=O)OCc2ccc(C#N)cc2)C1 756267898 FZIQKCGQSUIYCC-HNNXBMFYSA-N 271.360 3.818 30 20 CHED Oc1ccc(C=NNCc2cccc(Cl)c2)cc1Cl 756831125 HMPXSWJRDSCKAR-UHFFFAOYSA-N 295.169 3.823 30 20 CHED C#CC[C@@H](NCc1ccccc1OC)c1ccccc1 756995776 JYIXEEGNPNEIKB-QGZVFWFLSA-N 265.356 3.549 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H]1C(C)C)c1ccccc1 757057594 JOLTVUVQIBIYNC-IRXDYDNUSA-N 284.403 3.581 30 20 CHED CC(=NNC1CC1)c1cc(F)c(Cl)cc1Cl 758126314 FDJHECKSZKUGNH-UHFFFAOYSA-N 261.127 3.609 30 20 CHED CCc1ccsc1C(=O)OCc1cc(F)ccc1C#N 759358954 VBJVYTGFXPESQS-UHFFFAOYSA-N 289.331 3.678 30 20 CHED C#CCCc1noc(CCc2ccc(-c3ccccc3)o2)n1 762009656 ACYWQYOPYOATKW-UHFFFAOYSA-N 292.338 3.681 30 20 CHED N#CC1(OC(=O)c2ccc(Oc3ccccc3)o2)CCC1 762094025 INEIPZCOKBIZOP-UHFFFAOYSA-N 283.283 3.675 30 20 CHED N#Cc1ccc([C@H](O)CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 763234715 SNMWSLSWQJUZIL-QXCFHYIPSA-N 298.430 3.540 30 20 CHED CC(CCCCO)=NNc1cccc(C(F)(F)F)c1 766679846 YSZDFZNTSMHGTN-UHFFFAOYSA-N 274.286 3.656 30 20 CHED Cc1cc(Cl)ccc1CON=C(N)c1cccs1 768925889 JAORHTJSZGMKMJ-UHFFFAOYSA-N 280.780 3.547 30 20 CHED CC(=NNc1cc(C)ccc1F)c1sccc1O 769794959 ZWXROKHCEYYLEA-UHFFFAOYSA-N 264.325 3.737 30 20 CHED C[C@@H](C#N)CNN=Cc1ccc(-c2ccccc2F)s1 771106035 AEOSIQOMSGZTFY-NSHDSACASA-N 287.363 3.637 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(F)CCCC1 771868637 QMQGOJZNGIQQMZ-UHFFFAOYSA-N 267.369 3.545 30 20 CHED COc1cc(Cl)ccc1NC(=O)c1ccc(C#N)s1 772903748 JYVWRZVVAMILEG-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC(C)c1nccnc1NN=C/C=C/c1ccc(F)cc1 773079340 XFAMIHRJUHGCNI-PQXRUWMISA-N 284.338 3.850 30 20 CHED COc1cc(/C=C2/COc3ccccc3C2=O)ccc1C 773126374 SSBRDCAWEPPYCG-ZROIWOOFSA-N 280.323 3.662 30 20 CHED C[C@@H](C(=O)OCC#Cc1cccc(Cl)c1)c1ccco1 773168699 GREPQUSCEDSOEY-GFCCVEGCSA-N 288.730 3.631 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccc(C#N)c1F 774969382 QBNXKDFBXHFJMK-UHFFFAOYSA-N 273.307 3.509 30 20 CHED CC(C)(C#N)CCOC(=O)CCCc1c[nH]c2ccccc12 776359943 OWTWPDXSSHQVSJ-UHFFFAOYSA-N 298.386 3.974 30 20 CHED N#C[C@H](OC(=O)[C@@H]1CCOc2ccccc21)C1CCCCC1 776383419 LYXGBGDRPYTNNI-WBVHZDCISA-N 299.370 3.568 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)OCCC(C)(C)C#N)cc1 776394077 RDMNESQIPFEVQD-CYBMUJFWSA-N 289.375 3.961 30 20 CHED Cc1cccc(C)c1OC(=O)Cc1ccccc1CC#N 776727740 MLWPKJFMSQNACH-UHFFFAOYSA-N 279.339 3.518 30 20 CHED Cc1cc(C)c2c(c1)OCCC2=NOCCC(F)(F)F 777459227 IAZRILNPKCPUCV-UHFFFAOYSA-N 287.281 3.759 30 20 CHED Cc1ccc(OCc2cc(C#N)ccc2F)c(Cl)n1 777544416 IVXWAAGMIIGCFS-UHFFFAOYSA-N 276.698 3.633 30 20 CHED C#CCN[C@@H](CC1CC1)c1cc(F)cc(Br)c1 778454781 NLKVDQZBIBXVDY-AWEZNQCLSA-N 296.183 3.652 30 20 CHED C#CCCCCCC(=O)Nc1cnccc1OC(C)(C)C 779998788 JLEFQYCMCDBWBP-UHFFFAOYSA-N 288.391 3.781 30 20 CHED C=C(C)CNC(=S)Nc1ccc(OC(C)C)cc1Cl 780230824 UZWUMASECFYNOH-UHFFFAOYSA-N 298.839 3.990 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 781170934 DJRPDGUTQDUZIB-UHFFFAOYSA-N 289.331 3.715 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 781188284 XYMPEQYBNLVRRC-GFCCVEGCSA-N 298.317 3.710 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccc(Cl)cn1)OCC 781606619 CEIVBMLIDHYNHG-FZMZJTMJSA-N 297.782 3.711 30 20 CHED Fc1ccc(NN=Cc2sccc2Cl)cc1 782113255 JUJLSXIJPOHCPS-UHFFFAOYSA-N 254.717 3.987 30 20 CHED Fc1ccccc1NN=Cc1scnc1C1CC1 782186700 OIRYDURFNUBEAL-UHFFFAOYSA-N 261.325 3.606 30 20 CHED Cn1cc(C=NN[C@H]2CCCC2(C)C)c(-c2ccccc2)n1 782289272 UEPOBEWXWBKMIM-INIZCTEOSA-N 296.418 3.589 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCCCS2)n1 783402642 ZHRGVAOLMBGCKU-CMPLNLGQSA-N 294.445 3.728 30 20 CHED C=CCN(Cc1c[nH]nc1-c1ccsc1)C(C)C 783529649 NHWRSLXIFPVGGL-UHFFFAOYSA-N 261.394 3.535 30 20 CHED Cc1cc(COC(=O)c2ccc3[nH]ccc3c2)ccc1C#N 783566289 SXWDBTCCQCMLCY-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ncccc1Cl 783832481 JSKXBLKXYROYOI-GHMZBOCLSA-N 251.761 3.959 30 20 CHED CC(=O)c1c(F)cccc1N[C@@H]1CCc2cc(C#N)ccc21 784832659 VJTPPMBYQFCFDC-MRXNPFEDSA-N 294.329 3.999 30 20 CHED C#CCC1(OC(=O)CCCc2c[nH]c3ccccc23)CCC1 788071712 JJAUNXDZYATRMG-UHFFFAOYSA-N 295.382 3.980 30 20 CHED CCCCCCCCc1nc(-c2nccc(C)n2)no1 788478161 HCCROSIGOLGDSI-UHFFFAOYSA-N 274.368 3.738 30 20 CHED CCc1cccc(Cl)c1C=NNc1ccc(Cl)nn1 788697599 DWKIXCNNEVCMGK-UHFFFAOYSA-N 295.173 3.792 30 20 CHED C=C(C)CCOC(=O)c1cnn(C2CCCC2)c1CC 789388183 PZNMZHHWGZELSN-UHFFFAOYSA-N 276.380 3.684 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=CC1Cc2ccccc2C1 790311036 VECBZPKGHHWWFE-UHFFFAOYSA-N 299.305 3.547 30 20 CHED CC1(CNN=Cc2ccc3ncccc3c2)CCCC1 793080670 CMCBYVFKIBXVFM-UHFFFAOYSA-N 267.376 3.739 30 20 CHED CC[C@H](C)CON=CCCc1ccc(OC)cc1C 793157452 AKRIJHVXBFQMNV-ZDUSSCGKSA-N 263.381 3.985 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNCCC(F)(F)F 794553332 QOZOGSUPYQDDOF-JTQLQIEISA-N 270.298 3.748 30 20 CHED C=CCOc1ccc(C/N=C\c2ccccc2O)cc1 794679922 JZXOXLQFJMBIRJ-AQTBWJFISA-N 267.328 3.576 30 20 CHED CCc1c(C(C)=NOCCCOC)oc2ccccc12 795055205 GUGRZXLBJSNZGU-UHFFFAOYSA-N 275.348 3.772 30 20 CHED CCc1ccc2occ(C(=O)N[C@H](C#N)CC(C)C)c2c1 795990444 PKLHQXAEJFKJSD-ZDUSSCGKSA-N 284.359 3.663 30 20 CHED COc1ccccc1CON=Cc1ccc(C)c(F)c1 799117377 JSJJAVSCWFYEII-UHFFFAOYSA-N 273.307 3.693 30 20 CHED COc1ccccc1CON=C[C@H]1CCc2ccccc21 799118375 CHLLBHWSVASQFW-OAHLLOKOSA-N 281.355 3.928 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cnc(Cl)cn1 799167758 DTLABFABNFHGEX-UHFFFAOYSA-N 287.794 3.708 30 20 CHED CC(C)C[C@@H](C)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C 799174409 NYAQBDNKFWCXQT-PWDRSIHYSA-N 297.464 3.701 30 20 CHED Cc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1C#N 799302721 WAQYDBJBFYVWHP-UHFFFAOYSA-N 290.366 3.672 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(C#N)c1 799309059 ZAXRRBGLKCNQSG-CZUORRHYSA-N 270.376 3.565 30 20 CHED FC(F)(F)c1cc(C=NNc2ccc(Cl)cc2)[nH]n1 799463669 GZXUTVCCVAOESI-UHFFFAOYSA-N 288.660 3.528 30 20 CHED FCCC[C@H]1CCCC1=NNc1ccc(F)cn1 800813333 UUUGTHLZAUOBGF-SNVBAGLBSA-N 253.296 3.538 30 20 CHED N#Cc1cccc(COC(=O)Cc2ccc(Cl)s2)c1 801483121 HKTWRMQFGKAGMO-UHFFFAOYSA-N 291.759 3.559 30 20 CHED C[C@@H](C#N)OCCSCc1cccc(C(F)F)c1 802751690 LGERTQTYQXXLJR-JTQLQIEISA-N 271.332 3.786 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)C(C)C)c1ccc(Cl)cc1F 804422894 AELIEQCJGIWGLW-CQSZACIVSA-N 295.785 3.952 30 20 CHED N#Cc1ccccc1/C=C/C(=O)NC(C1CCC1)C1CCC1 804730166 YMPONNSBBVAGJS-VAWYXSNFSA-N 294.398 3.656 30 20 CHED O=C1/C(=C/c2cccs2)C[C@@H](C(=O)O)c2ccccc21 806559356 ANWUHCQZKJQGID-QSYFUGGGSA-N 284.336 3.586 30 20 CHED C#CCCCCNC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 806958541 GPRCCIXVOKZVHP-LSDHHAIUSA-N 278.440 3.646 30 20 CHED Cc1ccc(CC(=O)Oc2cc(C)c(C#N)c(C)c2C)o1 809034614 ANJGUIVETRYMNS-UHFFFAOYSA-N 283.327 3.533 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1cccc(F)c1)C2=O 809157788 VPWGOQZVHTUVHA-XFFZJAGNSA-N 286.277 3.796 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C\c2ccccc2)cc1 809257386 KLQZRMHOTGYVAZ-GFBZKKKVSA-N 290.366 3.643 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@H](CC)OC)cc1 810260530 LHPXQQRJFGYCGM-ZFWWWQNUSA-N 297.826 3.894 30 20 CHED C=CCCCCCCCNC(=O)C1CC(F)(F)C1 810766494 LTCAXVOMKPWDAZ-UHFFFAOYSA-N 259.340 3.675 30 20 CHED CCc1ccc2occ(C(=O)OC3(CC#N)CCC3)c2c1 810859303 ICKLKVYEGYJQMH-UHFFFAOYSA-N 283.327 3.988 30 20 CHED Cc1ccc2c(c1)SCC2=NOC/C=C\Cl 811672392 XXCYKXFTWMXAKI-HSHZIXOPSA-N 253.754 3.574 30 20 CHED COc1cc(C=NOCCC2CC2)ccc1SC 814246755 XLTUCWGCNQUGJI-UHFFFAOYSA-N 265.378 3.568 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cccc3cc[nH]c23)cc1 814682035 GCTMDMUGHYWAEM-UHFFFAOYSA-N 280.287 3.522 30 20 CHED COc1cccc(NN=Cc2cccc(O)c2Cl)c1 814776825 FNGQVRIPTGAJKC-UHFFFAOYSA-N 276.723 3.500 30 20 CHED CCC(=NOCC(F)(F)F)c1ccccc1OC(F)F 814880267 YHKOHJFPEGZUJT-UHFFFAOYSA-N 297.223 3.981 30 20 CHED C=CCC(F)(F)C(=O)OCc1coc(-c2cccs2)n1 815313701 QJNMJLGHVHQXNF-UHFFFAOYSA-N 299.298 3.658 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2nn(C(C)C)cc2c1 815638060 NAXILXRPEDGFLJ-UHFFFAOYSA-N 293.317 3.767 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(-n3cccc3)nc2)n1 815704979 VFIUYISZDWCSIO-UHFFFAOYSA-N 294.358 3.776 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@]2(C)CC2(F)F)s1 817735414 ZSGPFTBLWPITAV-OQPBUACISA-N 298.358 3.662 30 20 CHED CCSCC(=NN[C@@H](C)c1ccncc1)c1ccccc1 819818235 KPDNPJPJGJMYSL-AWEZNQCLSA-N 299.443 3.890 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C\c2ccc(C#N)cc2)c1 821021972 LIQGXIUTUNHMLY-KHPPLWFESA-N 290.366 3.516 30 20 CHED CCc1sc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1C 839044950 WLMOIIFJJMZBBP-NEPJUHHUSA-N 277.389 3.858 30 20 CHED CC(C)(CC#N)CNCc1ccc(N2CCCCC2)cc1 839163353 LDNHQOHKBHFNRN-UHFFFAOYSA-N 285.435 3.706 30 20 CHED Cc1cc(C=NNc2c(C)cccc2C(C)C)n(C)n1 841640278 YJIDKJQKLDLADY-UHFFFAOYSA-N 270.380 3.606 30 20 CHED COc1cc(Cl)c(F)c(C(=O)O[C@@H](C)C(C)(C)C#N)c1 842326054 XMYQTTQKICLIDB-QMMMGPOBSA-N 299.729 3.583 30 20 CHED C=C[C@H](C)ONC(=O)N(C)[C@H](C)c1ccc(C)cc1C 845639530 QUCKDUSBXCTMPK-UONOGXRCSA-N 276.380 3.512 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C1CC2(CC2)C1 850214486 KNMZIMLKNCNDBI-UHFFFAOYSA-N 283.371 3.721 30 20 CHED C=C(Br)CNC1(c2cccc(OC)c2)CCC1 852693451 IEESXJNFQJWLTL-UHFFFAOYSA-N 296.208 3.573 30 20 CHED C=CC[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(C)C2)c1ccncc1 853748739 SBJOVJBTZMPUHX-YESZJQIVSA-N 299.418 3.671 30 20 CHED CCCCC[C@@H](CC)C(=O)N1CCC[C@H](CC#N)C1 855254216 GNVQRWACEJHMED-HUUCEWRRSA-N 264.413 3.745 30 20 CHED CCOc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1 876817397 GSDBPROYVSHDQD-AWEZNQCLSA-N 288.391 3.596 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 888359835 PXIDVTWZHIRSFS-MRXNPFEDSA-N 289.354 3.741 30 20 CHED C=C1CCC(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 889023895 NTAWIQYGIWDVTF-FVQBIDKESA-N 261.409 3.912 30 20 CHED C=C1CCC(C(=O)Nc2ccnn2Cc2ccc(C)o2)CC1 889585103 ZZBBANHNOJTYPE-UHFFFAOYSA-N 299.374 3.518 30 20 CHED C#CCCCCC(=O)N1CCCc2cc(F)c(F)c(F)c21 891398865 OKONAYHSMDSEQY-UHFFFAOYSA-N 295.304 3.577 30 20 CHED C=CC(C)(C)CC(=O)OCCC[C@@H]1CCCCC1=O 893068244 MYQXKJGQJYZSSM-ZDUSSCGKSA-N 266.381 3.671 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](c1ccncc1)C1CC1 894028315 NGWZIXSOEIARFA-CJNGLKHVSA-N 287.407 3.577 30 20 CHED Cc1ccc(Cl)cc1NN=C1CCCOCC1 901316564 BRKCHVLIDOEQBH-UHFFFAOYSA-N 252.745 3.617 30 20 CHED N#CC1(c2ccc(-c3cccnc3F)cc2)CCC1 904742568 JMYHFAJKPJBWOW-UHFFFAOYSA-N 252.292 3.833 30 20 CHED C=C1CCC(C(=O)Nc2cc(C(=O)O)c3cc[nH]c3c2)CC1 911388413 YBRRWNNMHKTQSM-UHFFFAOYSA-N 298.342 3.551 30 20 CHED C=CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)C(C)C 914683618 VMCNOJBFRQSRJC-UHFFFAOYSA-N 298.386 3.616 30 20 CHED C=C(Cl)COC(=O)c1cc2ccc(Cl)cc2[nH]1 914920460 RXOSWBGLFZOEED-UHFFFAOYSA-N 270.115 3.731 30 20 CHED CC(=NNCc1ccccc1)c1cc(C)ccc1C 916344566 LQYUHLGUSWUZDI-UHFFFAOYSA-N 252.361 3.817 30 20 CHED COc1ccc(Cl)cc1C=NNc1ccc(F)cc1 917531333 JQJJNQLMWCDWBV-UHFFFAOYSA-N 278.714 3.934 30 20 CHED COc1ccc(CNN=Cc2c(F)cccc2Cl)cc1 917548118 BBJFCDZVHIJSAR-UHFFFAOYSA-N 292.741 3.611 30 20 CHED CC(C)CCOC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 918774758 GZOKYLWLYQSCPN-INIZCTEOSA-N 289.375 3.551 30 20 CHED CC(CCc1cccc(C)c1)=NNc1oc(C)nc1C#N 920374020 VLHJSWLGDRXMLM-UHFFFAOYSA-N 282.347 3.584 30 20 CHED Fc1c(Cl)cccc1NN=Cc1ccsc1 921137825 NKLSSWZMTZNQAY-UHFFFAOYSA-N 254.717 3.987 30 20 CHED Cc1cc(-c2nnco2)ccc1N[C@H](C)CC(C)(C)C#N 926048890 WZMDEEXOYMCGIB-GFCCVEGCSA-N 284.363 3.785 30 20 CHED C=C1CCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 930284344 WEXPEASKALKAOW-UHFFFAOYSA-N 297.358 3.889 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1cccc(OC(C)(C)C)c1 934047713 GVGSGYJVODKSQL-LBPRGKRZSA-N 289.379 3.630 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)CC#Cc2ccccc2)c1 1116273516 IUZOEJWCIXEOJV-KRWDZBQOSA-N 291.394 3.657 30 20 CHED Cc1ccccc1C(F)(F)C(=O)Nc1cccc(C#N)c1 1116414479 QYZYHUQQNBIWAR-UHFFFAOYSA-N 286.281 3.597 30 20 CHED Cc1cc(O)c(CNc2ccc(OCC#N)cc2)cc1C 1116447311 DSUDZSQRPSJEHS-UHFFFAOYSA-N 282.343 3.524 30 20 CHED N#Cc1ccc(C(=O)N2CCC=Cc3ccccc32)c(F)c1 1128007704 GBVMWYUXNINZNR-UHFFFAOYSA-N 292.313 3.761 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C(=O)O)s1 1231466612 JSTGCFOXOKCTKB-UHFFFAOYSA-N 287.384 3.635 30 20 CHED COc1cc(C=NNc2cc(C)ccc2F)ccc1F 1253612703 QMZKKIIURXBIBN-UHFFFAOYSA-N 276.286 3.728 30 20 CHED N#CCc1cccc(N2CCC[C@H]2C2CCCCC2)n1 1255096979 YIXYXCBCWBNQIJ-INIZCTEOSA-N 269.392 3.697 30 20 CHED O=C1/C(=C\c2ccc(N3CCCC3)cc2)Oc2ccccc21 1318724759 UWFOCNUBBZOBAE-QGOAFFKASA-N 291.350 3.903 30 20 CHED C=C(C)CN(CC)C(=S)Nc1cccc(F)c1F 1320116504 YVKKLFIYRSEKLE-UHFFFAOYSA-N 270.348 3.560 30 20 CHED Cc1ccccc1-c1nnc(-c2ccc(CC#N)cc2)o1 1322232323 LJTMDQSRSVOGCN-UHFFFAOYSA-N 275.311 3.778 30 20 CHED C#CCN(Cc1c(C)cc(C)c(C(C)=O)c1C)CC1CC1 1322948648 PTBMTGLMIRPKHD-UHFFFAOYSA-N 283.415 3.660 30 20 CHED CC(C)(C)ON=Cc1cccc(Br)c1 1323131783 KIHREXKFIJEZAB-UHFFFAOYSA-N 256.143 3.598 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(Oc2ccccc2)cn1 1326622209 FKVZQJOYCKTABY-HUUCEWRRSA-N 298.386 3.726 30 20 CHED C[C@@H]1CCC[C@@]1(C)c1nnc(COc2ccccc2C#N)o1 1326969868 GSRXWJCEGKEVCH-SJKOYZFVSA-N 297.358 3.598 30 20 CHED N#CC1(CC(=O)OCc2cccnc2Cl)CCCCC1 1327183785 XWXQRYUTZQGCBP-UHFFFAOYSA-N 292.766 3.642 30 20 CHED C=CCC(C)(C)c1nnc(-c2cccc(N(C)C)c2)o1 1327325483 JRJSMZUAFQKEKT-UHFFFAOYSA-N 271.364 3.656 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2c2ccsc2)cs1 1330503741 GRKNCWQJALQUGI-CYBMUJFWSA-N 288.397 3.659 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C#N)c1C)CC2 1332523653 UYQLYGCZXSGLGK-SFHVURJKSA-N 290.366 3.592 30 20 CHED C=C[C@H](CC)CC(=O)OCc1ccc(C(C)=O)cc1 1335435079 BQPZLHIZENBXCY-CYBMUJFWSA-N 260.333 3.535 30 20 CHED CC[C@H](CC(=O)N(CC)[C@@H](C#N)CC)c1ccccc1 1337580162 FYTBUROUYMFJQD-GDBMZVCRSA-N 272.392 3.721 30 20 CHED CCOc1ccc2ccccc2c1C(=O)OC[C@H](C)C#N 1342994386 QWMNQIMMPMSWRI-GFCCVEGCSA-N 283.327 3.555 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)s2)CC1 1435981905 RBCLJIRGNHAMGO-OLZOCXBDSA-N 290.432 3.954 30 20 CHED N#Cc1cc(CN2CCCc3cc(F)ccc32)ccc1F 1473236238 GCDNCLQUADFBBW-UHFFFAOYSA-N 284.309 3.789 30 20 CHED COc1ccccc1C[C@H](C)N[C@H](C)CC(C)(C)C#N 1474486227 GSXBEBXMRGMKFZ-UONOGXRCSA-N 274.408 3.544 30 20 CHED C=CCCCCCCNC(=O)c1c(F)ccnc1Cl 1521577155 ZLSVZUQEPONWQP-UHFFFAOYSA-N 284.762 3.740 30 20 CHED Cc1ccc(F)c(COC(=O)c2ccc(CC#N)cc2)c1 1525803662 IDVBZZXYEFRWSC-UHFFFAOYSA-N 283.302 3.557 30 20 CHED Cc1cccc(Oc2ccccc2C(=O)N(C)[C@H](C)C#N)c1 1527366504 ZWNKGRZQHXZRSB-CQSZACIVSA-N 294.354 3.771 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCc2c(F)cccc21 1531898586 LPYGYEIWPWPQRU-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)c(F)cc1F)c1ccccc1 1532511705 QQHQEUIOBUKYOK-SNVBAGLBSA-N 286.281 3.579 30 20 CHED Cc1cc(NCCc2c[nH]c3cccc(C)c23)ncc1C#N 1559096730 CRIBXGLHLYOXRO-UHFFFAOYSA-N 290.370 3.706 30 20 CHED Cc1c(C(=O)N(C)[C@@H](C)C#N)oc2c1ccc1ccccc12 1583900327 NKNNKRGDHCRBFF-NSHDSACASA-N 292.338 3.879 30 20 CHED C=CCCC[C@H](C)OC(=O)C12CCC(C(=O)O)(CC1)CC2 1588784800 BMSNUVIOZDNACF-IGEOTXOUSA-N 294.391 3.700 30 20 CHED C=C(Cn1c(C)nnc1N1CCC(C)CC1)c1ccccc1 1593782025 DPLFTYGZZYHXJA-UHFFFAOYSA-N 296.418 3.536 30 20 CHED Cc1cccc(C=NNc2cccc(F)c2C(=O)O)c1C 1610521152 XVNPJUWDMXEFTH-UHFFFAOYSA-N 286.306 3.587 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1C#N 1617556571 JJJDACVULIYDFR-MFKMUULPSA-N 276.767 3.976 30 20 CHED CCN(Cc1ccc(F)c2ccccc12)C[C@@H](C)C#N 1621183687 OKGKSAILPQHVJG-ZDUSSCGKSA-N 270.351 3.960 30 20 CHED CC(C)C[C@H](C)CN1CCN([C@H](C#N)c2ccccc2)CC1 1644837553 LOFMJXVZPQXEGH-PKOBYXMFSA-N 299.462 3.551 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2CO1 1648095159 ADLVKXOWFDTZOU-ZDUSSCGKSA-N 264.328 3.567 30 20 CHED CC1(C)C(=NNc2ccc(C(=O)O)cc2)[C@H]2CCC[C@H]21 1776013250 QHTALZKVPBTGED-QWHCGFSZSA-N 272.348 3.609 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)C[C@H]1C=CCC1 1776051632 TWVZVIPJDUVLAN-LBPRGKRZSA-N 288.347 3.538 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc3occc3c2)cc1F 1776075248 WWDPGTWRFRFRDN-UHFFFAOYSA-N 298.273 3.716 30 20 CHED C=C(C)CCCN1CCC([C@H]2CCC[C@@H]2C(=O)O)CC1 1776138736 KMOAPNQNDSRBAY-CVEARBPZSA-N 279.424 3.556 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@H](C)c2cccc(C)c2)C1 1776154228 ZBQRMYZGJXEXJG-QAPCUYQASA-N 287.403 3.799 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(C[C@@H](C)C2CCCCC2)C1 1776159531 CIZAAJWURGXBIE-RHSMWYFYSA-N 279.424 3.556 30 20 CHED N#Cc1ccc(NC2Cc3ccccc3C2)cc1Cl 35658135 IAMHUHQNAPREBJ-UHFFFAOYSA-N 268.747 3.791 30 20 CHED COc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1O 37393362 KSCDXKZLYLLWNE-UHFFFAOYSA-N 288.734 3.538 30 20 CHED CCOc1cccc(CNc2ccc(OCC#N)cc2)c1 37678298 LPOSUNNMASNEQC-UHFFFAOYSA-N 282.343 3.600 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(COC)cc1 45934683 INFQTYOITKQYJW-UHFFFAOYSA-N 295.382 3.661 30 20 CHED Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 47955994 QEPBFEVWMHMCJZ-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED CCCCC1CCC(C(=O)N[C@@H](C#N)C(C)C)CC1 70979818 DFMWDJREQHGPIG-NRXISQOPSA-N 264.413 3.647 30 20 CHED C=CCCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 78184854 ILQNZRZBSSYYKV-GJZGRUSLSA-N 257.377 3.666 30 20 CHED CCn1c(C(=O)N(CC#N)C2CCCC2)cc2ccccc21 78207825 JSHQGFSWOYDGHL-UHFFFAOYSA-N 295.386 3.570 30 20 CHED C=C(C)CSCc1noc(-c2ccc(OC)cc2)n1 79362205 SQOWHAYLRUWJHD-UHFFFAOYSA-N 276.361 3.555 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1 79826956 UDTTXLGSXMISCE-CYBMUJFWSA-N 279.343 3.607 30 20 CHED Cc1ccc(-c2n[nH]c(/N=C(\O)CCC(F)(F)F)n2)cc1 80206793 XFXNROUYAHLYKP-UHFFFAOYSA-N 298.268 3.711 30 20 CHED Cc1n[nH]c(/N=C(\O)[C@H](C)c2ccc3ccccc3c2)n1 84599042 NXXWSNMDHPOIRC-SNVBAGLBSA-N 280.331 3.658 30 20 CHED C[C@H](Nc1ccn(CCC#N)n1)c1cccc(Cl)c1 86154685 HPNOGACEKRDNTR-NSHDSACASA-N 274.755 3.623 30 20 CHED Cc1nc(C)c(CNc2cc(Cl)ccc2C#N)s1 88867570 MPRPLCJYLWUSKC-UHFFFAOYSA-N 277.780 3.897 30 20 CHED C#CCCCCN[C@H](C)c1ccc(-n2ccnc2C)cc1 90398183 JAPQAVRYMADJQB-OAHLLOKOSA-N 281.403 3.635 30 20 CHED CC[C@H](CC#N)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94543967 MYQGOYIBCRQVAF-HARIEKMUSA-N 288.435 3.791 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1 97292624 NCHSYFMYAFRAOI-MDZDMXLPSA-N 272.307 3.936 30 20 CHED C=CCCOC(=O)c1ccccc1Oc1cccnc1 103646912 ZOJKRGPPUXDZTH-UHFFFAOYSA-N 269.300 3.607 30 20 CHED C[C@@H]1Cc2ccccc2N1c1cccc(F)c1C#N 104909866 NJULOJSHJACFDW-LLVKDONJSA-N 252.292 3.780 30 20 CHED CCC(CC)CNCc1ccc(O[C@H](C)C#N)cc1 106480013 FRBYQRTUXWHSSC-CYBMUJFWSA-N 260.381 3.503 30 20 CHED COc1cccc(/C=N\[C@H](C)c2ccc(C)s2)c1O 122226097 PYKXUGLKJNMNSI-WIWNTQSISA-N 275.373 3.951 30 20 CHED Cc1ccc(C(C)(C)CC(=O)N[C@H](C#N)C(C)(C)C)cc1 122305835 ASLJCBGTVYVLLX-OAHLLOKOSA-N 286.419 3.717 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1c(C)noc1C1CC1 129235915 SFCIVJUNLYOXFJ-JTQLQIEISA-N 277.368 3.727 30 20 CHED C[C@@H](c1ccccc1F)N(C)Cc1ccc(C#N)s1 129730358 PPSFJPZKLJEDAE-NSHDSACASA-N 274.364 3.952 30 20 CHED CC(C)(C)n1cc(CN[C@H](CCC#N)c2ccccc2)cn1 130381411 RSEIQFMFPUKLKU-QGZVFWFLSA-N 296.418 3.773 30 20 CHED N#Cc1cc(F)ccc1NC(=O)CCCc1ccccc1 135155396 PLWXQWXXEYNYJI-UHFFFAOYSA-N 282.318 3.659 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 135188771 FEIQLHVPBMRVQX-XYJFISCASA-N 287.403 3.625 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1ccccc1C 150822102 XLWIGVRJRQOBBD-DLBZAZTESA-N 269.388 3.736 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](Cc2ccccc2)C1 150848789 XKCXUOHNJDZBJA-QGZVFWFLSA-N 283.415 3.846 30 20 CHED O=C(/C=C/c1ccccc1Cl)c1cc(O)cc(O)c1 152700065 GADJYEAXZGHWAC-AATRIKPKSA-N 274.703 3.647 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc(C)c(C)c2)CC1 152983037 BVFKLWPIVYUNBD-QGZVFWFLSA-N 286.463 3.995 30 20 CHED C#CCCCCNC(=O)Nc1cccc(C(F)F)c1 153197649 YHXNRVKLVHWSNZ-UHFFFAOYSA-N 266.291 3.549 30 20 CHED CC(C)n1cccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 155879497 PHQSQICRHXPAFZ-ZDUSSCGKSA-N 282.343 3.859 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1ccc(CC#N)cc1 156826948 XJDUNAYGILIWSH-UHFFFAOYSA-N 284.746 3.967 30 20 CHED Cc1cc(OCC2(CC#N)CC2)ccc1Br 157078263 TZWXAMQILIHGKT-UHFFFAOYSA-N 280.165 3.830 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)c1cncs1 165148622 DCNBJOAUEGLITN-LBPRGKRZSA-N 287.388 3.999 30 20 CHED C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)C1CCCCC1 173403482 ZXPNFZUQEZKORO-AWEZNQCLSA-N 299.418 3.668 30 20 CHED C=CCCCC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 175223612 IHPCMRYFVFWGMU-LLVKDONJSA-N 283.318 3.822 30 20 CHED CC1(NC(=O)c2cccc(SCC#N)c2)CCCCC1 175679013 OBXVHZGTGJNEBL-UHFFFAOYSA-N 288.416 3.755 30 20 CHED N#CC1(c2nc(-c3ccsc3)no2)CCCCC1 177720343 CMFMGBNURNEHCO-UHFFFAOYSA-N 259.334 3.524 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 180442169 PGCRQSUKFBGOPG-KGLIPLIRSA-N 297.320 3.843 30 20 CHED C=CCCC[C@H](C)NC(=O)C(C)(C)c1ccccc1 182645856 BQRVSYDCBLJSSC-AWEZNQCLSA-N 259.393 3.825 30 20 CHED CCc1nc([C@H](C)NCc2cc(C#N)ccc2F)cs1 184692120 VLPRGPMGFDWRDR-JTQLQIEISA-N 289.379 3.567 30 20 CHED COc1ccc(C(C)=O)c(OCc2ccc(C#N)cc2C)c1 186107337 JSFUZNHHPRXTOA-UHFFFAOYSA-N 295.338 3.657 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ncc(Br)cc1F 187345533 VYNGVCGHLPJEFC-DTWKUNHWSA-N 287.176 3.598 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 188489563 SQAVUXCIPDTZSO-LRDDRELGSA-N 290.363 3.683 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@H](CC)CSC)c1ccccc1 188961109 MCFVEFJZLKVJTK-HZPDHXFCSA-N 291.460 3.946 30 20 CHED C[C@H](C#N)CSc1ccccc1NCC[C@H]1CCCO1 189645806 MIEIJFVQJVHHHO-ZIAGYGMSSA-N 290.432 3.919 30 20 CHED C#CCCCC(=O)N1CCC[C@H](C)c2ccccc21 190661539 MGZTXSFWAZATIZ-AWEZNQCLSA-N 255.361 3.720 30 20 CHED Cc1cc(OC(=O)C(C)(C)C#N)cc(C)c1Br 191006692 PYAHSURXUUTIBH-UHFFFAOYSA-N 296.164 3.521 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2cc(C#N)n(C)c2)C1 191382746 HEDPRFLPFNLJAB-ACJLOTCBSA-N 297.377 3.619 30 20 CHED C=CCN(CCOC)Cc1csc(-c2ccsc2)n1 191758424 IITCCJINQYRXGN-UHFFFAOYSA-N 294.445 3.506 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C)c(OC)c1C 193043121 ASSQTITYXXLSMX-UHFFFAOYSA-N 274.364 3.518 30 20 CHED Cn1ccc2cccc(N[C@H]3CCC[C@@H](C#N)C3)c21 193347471 LVKRQQJJXFXFML-OCCSQVGLSA-N 253.349 3.673 30 20 CHED CCN(Cc1ccc2ccccc2c1)C[C@H](C)C#N 193501995 ZREGYJUYFYBUDT-CQSZACIVSA-N 252.361 3.821 30 20 CHED Cc1ccc(CN(CCC#N)CC2CC2)cc1Cl 193880802 PFPYGBOGEWGUJN-UHFFFAOYSA-N 262.784 3.774 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1 220248637 KDUJQYVMMSBKIZ-RHSMWYFYSA-N 277.408 3.585 30 20 CHED N#Cc1ccc(NC/C=C/Cl)cc1C(F)(F)F 225232254 WRHCNVOAIOCAOR-DAFODLJHSA-N 260.646 3.741 30 20 CHED C=CCCOCCNc1cc(C)nc2ccccc12 229870410 ZJGYMWIZJYWGDN-UHFFFAOYSA-N 256.349 3.548 30 20 CHED CC(C)c1ccc(-c2noc(CCCC#N)n2)cc1 232783957 BWXVVSAFJPJQBN-UHFFFAOYSA-N 255.321 3.706 30 20 CHED CC1CCC(N(C)c2nccc(C#N)c2Cl)CC1 232824540 TYEUQAAMMXDYCK-UHFFFAOYSA-N 263.772 3.622 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](NCCCC#N)c1ccc(Cl)cc1 245888638 LUZCTYWFSTXKEO-UGFHNGPFSA-N 262.784 3.930 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc(Cl)nc1 254912453 PVVPBSNQHNTXIG-RJRFIUFISA-N 285.730 3.566 30 20 CHED Cc1c(C(=O)/C=C\c2ccsc2)cccc1[N+](=O)[O-] 255267758 MOSZXSMZTWVMDJ-WAYWQWQTSA-N 273.313 3.861 30 20 CHED CON=Cc1ccc(C(=O)Nc2ccccc2Cl)cc1 255505344 ZDDCIGMDUCIGRU-UHFFFAOYSA-N 288.734 3.573 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cc(F)ccc2F)s1 255889457 PBTOHLLAKJSAHN-KTAJNNJTSA-N 275.279 3.794 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(-c2ccco2)nc1C 263696400 LZRIVUXZSNCSNQ-UHFFFAOYSA-N 284.359 3.688 30 20 CHED CCC(CC)(C(=O)N(C)CCC#N)c1ccc(Cl)cc1 263785911 OYPHPECQNDKVHE-UHFFFAOYSA-N 292.810 3.770 30 20 CHED CC[C@@H](CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 264051873 MPCCGURUHMLSAU-KRWDZBQOSA-N 292.382 3.758 30 20 CHED Cc1ccc2oc(C(=O)N(CCC#N)CC(C)(C)C)cc2n1 264194942 CSUMZMWQAMBTSF-UHFFFAOYSA-N 299.374 3.538 30 20 CHED CCCCCCCC(=O)Nc1cccc(C[S@](C)=O)c1 265283306 OWBLHOKBVTYIPJ-FQEVSTJZSA-N 295.448 3.864 30 20 CHED C=C1CCN([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 266772839 WCIYSTAMEDVQJS-AWEZNQCLSA-N 283.375 3.758 30 20 CHED C=CCC[C@@H](C)N[C@H](CCOC)c1ccc(C)o1 273215030 AAHNRDIZQWCLJJ-TZMCWYRMSA-N 251.370 3.610 30 20 CHED Cc1ccc(NC(=O)CC(C)(C)C#N)cc1OC(C)C 278587332 YUSQWOSPXIFXDV-UHFFFAOYSA-N 274.364 3.661 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)CC(C)(C)C#N 279378815 XQVONRQHOGLONB-HNNXBMFYSA-N 270.376 3.598 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@H]2CCC[C@@H](OC)C2)c1 280498538 KUGJKQVWBSBHNP-FUHWJXTLSA-N 299.414 3.616 30 20 CHED Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)cc(C)c1Cl 283136540 ZVAZLHPDCCWWAM-NSHDSACASA-N 279.771 3.723 30 20 CHED C#CCCCC(=O)N(CC)c1ccc(C(F)(F)F)cc1 283720831 XXVYPORIXHCKEE-UHFFFAOYSA-N 283.293 3.862 30 20 CHED CC[C@H](Nc1cc(C#N)ccn1)c1ccc(OC)cc1 285552682 IQMKYCLMGBOVJJ-HNNXBMFYSA-N 267.332 3.525 30 20 CHED C=CCOCCCC(=O)Nc1ccc2cc(OC)ccc2c1 286956423 MWTAYYQIGBLYLV-UHFFFAOYSA-N 299.370 3.770 30 20 CHED CCCNc1ccc(C#N)cc1NCCC(C)(C)C#N 288642630 CWCHUBGZHHPENQ-UHFFFAOYSA-N 270.380 3.732 30 20 CHED N#CCCCC(=O)N(Cc1cccc(F)c1)C1CCCC1 291321597 USURVGLBCBSYNT-UHFFFAOYSA-N 288.366 3.791 30 20 CHED CCCCOc1ccc(OC)cc1NC(=O)CCCC#N 291866597 HTSKNZFWXZMNFN-UHFFFAOYSA-N 290.363 3.506 30 20 CHED C=CCn1c(SC2CCCC2)nnc1-c1ccncc1 299582827 CXFDXMRPOBQPGU-UHFFFAOYSA-N 286.404 3.561 30 20 CHED N#Cc1ccc(NCCOC2CCCCCC2)c(F)c1 301257896 CCAJNEHDALYPCB-UHFFFAOYSA-N 276.355 3.849 30 20 CHED CS[C@H]1CCCCN(c2ccc(Cl)cc2C#N)C1 301797335 UISYTFSNGFLODA-ZDUSSCGKSA-N 280.824 3.934 30 20 CHED C=CCN(CC=C)C(=O)c1cc2c(s1)CC[C@H](C)C2 302000120 NRAOSAMVFMSWLP-LBPRGKRZSA-N 275.417 3.687 30 20 CHED N#Cc1cccc(C#N)c1SCc1ccccc1 302425992 JYAFBDCNMIPPAH-UHFFFAOYSA-N 250.326 3.722 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCN(CCC(C)(C)C)CC1 303665170 FCPNFBAJXDNRJI-MRXNPFEDSA-N 299.462 3.673 30 20 CHED C[C@@H]1SCC[C@H]1Nc1ccc(C#N)c(Br)c1 304411994 YCFRBSDWACRULE-QPUJVOFHSA-N 297.221 3.627 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(C#N)c(F)c1 308088585 NLXIROPKJVMSPM-NSHDSACASA-N 262.328 3.708 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC(F)(F)C2)c1 308192054 KEPPEAGVPMLVFK-GFCCVEGCSA-N 278.302 3.631 30 20 CHED C[C@@H]1CCCC[C@]1(C)NCc1ccc(OCC#N)cc1 308727925 ZFHUVNWFRKVYNI-PBHICJAKSA-N 272.392 3.647 30 20 CHED Cc1ccc(N=C(O)c2coc(C3CCCC3)n2)nc1 328832123 VPWLAEUGERAYPE-UHFFFAOYSA-N 271.320 3.672 30 20 CHED O/C(=N/Cc1ncccc1O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329099349 MGKNBCIKIHUUAB-BFHYXJOUSA-N 288.391 3.850 30 20 CHED OC(=Nc1nncn1C1CC1)[C@@H]1CCC[C@H]2CCCC[C@H]21 329123704 RXIPTKKRQBRQRS-MRVWCRGKSA-N 288.395 3.808 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C2CCCC2)cc1 329571379 MPVSUABKPLUECU-IRXDYDNUSA-N 282.387 3.766 30 20 CHED CC[C@H](C)n1ncc(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)c1C 330078054 NJWCWNMPIHRQST-NTZNESFSSA-N 291.395 3.756 30 20 CHED CCOc1ccc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)c(C)c1 331305607 WQMAWNCQKATSNK-DGCLKSJQSA-N 276.380 3.908 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 334224686 AOLVOPOGYVLMGA-SFHVURJKSA-N 290.366 3.578 30 20 CHED Cc1nc2ccccc2cc1C(=O)N[C@@](C)(C#N)C(C)(C)C 335765673 CAXIRXCWOMTTMH-SFHVURJKSA-N 295.386 3.601 30 20 CHED Cc1ncc(-c2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2)o1 336353063 PPGCXPUHZXXPHH-SWLSCSKDSA-N 267.332 3.754 30 20 CHED COC1CCC(N(C)CCCCC(C)(C)C#N)CC1 336806286 QIQIWTNTAVMVRT-UHFFFAOYSA-N 266.429 3.596 30 20 CHED CN(Cc1c(F)cccc1F)c1ncc(C#N)cc1Cl 338780380 CCEWJIZAJLWDMW-UHFFFAOYSA-N 293.704 3.521 30 20 CHED CN(C)c1cccc([C@@H]2CCCN2[C@H]2CC[C@@H](C#N)C2)c1 339006000 MKXVASQTQRFKRR-JLSDUUJJSA-N 283.419 3.582 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cccc(Cl)c1Cl 339166329 NEVJETGAUUBWRG-SECBINFHSA-N 285.174 3.758 30 20 CHED Cc1cc(C(F)(F)F)c(C#N)c(SC2CCC2)n1 339613181 LCVDDOPBLDNZFY-UHFFFAOYSA-N 272.295 3.925 30 20 CHED CCOc1cccc([C@@H]2C[C@@H]2Nc2nccc(C)c2C#N)c1 343537365 MSEXABUQOZNUBK-RDJZCZTQSA-N 293.370 3.628 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cncc(OC)c1 343740396 FIXRAFGHHYZJLD-UHFFFAOYSA-N 282.387 3.669 30 20 CHED N#CCCCNC(=O)N[C@H](CC1CCCC1)c1ccccc1 344001832 WTDNWQKNXRCLEB-QGZVFWFLSA-N 299.418 3.911 30 20 CHED C=CCCCCN[C@@H](Cc1ccccn1)c1cccnc1 349399118 BZFVHAMBXQZPSP-SFHVURJKSA-N 281.403 3.706 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CC1CCC1)c1ccccc1 352252694 UEXXRZMHGGNQKN-CJNGLKHVSA-N 272.392 3.792 30 20 CHED CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccncc1 353271454 YMWDHWPMXRBPOO-QZTJIDSGSA-N 277.371 3.681 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3occc31)CC2 353429140 SGZISUHIPPELQW-IAGOWNOFSA-N 278.355 3.806 30 20 CHED C[C@@H]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@H](C)C1 354085368 HPKKKCKCRMAIEW-BREBYQMCSA-N 263.772 3.843 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC(C)(C)c1ccc(C)nc1 354168997 HCYBYKDKLMXTBV-CQSZACIVSA-N 289.423 3.669 30 20 CHED C=CCCC1(C(=O)Nc2cccc(-c3nccn3C)c2)CC1 354701037 DYPWQRKKYGSBSH-UHFFFAOYSA-N 295.386 3.772 30 20 CHED C[C@H]1c2ccc(F)cc2C[C@@H](C)N1CCCCC#N 354842481 WJKFUIFCQRHMGK-OLZOCXBDSA-N 260.356 3.827 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCOc3c(CC)cccc32)CC1 355550856 GVURPLNNORKLSF-MRXNPFEDSA-N 299.414 3.935 30 20 CHED CC[C@H](C)CCC(=O)Nc1cc(C#N)ccc1NC1CC1 355662177 YLQSXSFSBXZMQC-LBPRGKRZSA-N 285.391 3.897 30 20 CHED C=CCN(CCOC)C(=O)c1ccc(C2=CCCC2)cc1 355995590 YCUNKKZXIXINDP-UHFFFAOYSA-N 285.387 3.529 30 20 CHED C=CCOCCCSc1ccc(C(F)(F)F)cn1 356049852 YUPBXWVYJAZRKZ-UHFFFAOYSA-N 277.311 3.785 30 20 CHED C[C@H]1CCC[C@@H](c2noc(COc3ccc(C#N)cc3)n2)C1 356184763 DZCGLLFGJKAAKJ-GXTWGEPZSA-N 297.358 3.814 30 20 CHED C=C(C)CN(CC)C(=O)CN[C@@H](CCC)c1ccccc1 357298375 ZTIMRULVVBDEER-KRWDZBQOSA-N 288.435 3.542 30 20 CHED Cc1cc(CNc2ccc(C#N)c([N+](=O)[O-])c2)ccc1F 357307687 VMGOBODQYLGVKT-UHFFFAOYSA-N 285.278 3.526 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] 357661277 NDWKBIJBULZHEH-LSDHHAIUSA-N 297.289 3.574 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCC(C)(C)C1 358991150 XJHQGGSDSDXPGG-CYBMUJFWSA-N 264.413 3.601 30 20 CHED C[C@@H](Nc1cccc2c1CCO2)c1cccc(C#N)c1 359035738 NBKQLZOEHJBWTQ-GFCCVEGCSA-N 264.328 3.666 30 20 CHED COC1CCC(C)(CNc2nc(C)cc(C)c2C#N)CC1 359852390 YYGGWRXNJJIMPF-UHFFFAOYSA-N 287.407 3.577 30 20 CHED N#CCCCC(=O)Nc1ccc(Oc2ccccc2)cn1 360138954 BIQAMOBFAYBFQX-UHFFFAOYSA-N 281.315 3.506 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)[C@H]1CCC(C)(C)C1 361471754 UJMASNUVXXNLLT-AWEZNQCLSA-N 260.356 3.708 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccsc1Cl 361508687 OLFUOLZJCUKGDD-UHFFFAOYSA-N 276.792 3.905 30 20 CHED C=CCSc1ccccc1C(=O)N(CC)CCC 362532539 ITFMTWHFSTWARH-UHFFFAOYSA-N 263.406 3.837 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1nnc(-c2cccc(C)c2)o1 363194765 XPBDXDMRSIZMCH-UONOGXRCSA-N 298.390 3.588 30 20 CHED N#CC[C@@H](CC(=O)N1CCC2(CCC2)CC1)c1ccccc1 375809335 SPHMMPHVEOOVBP-KRWDZBQOSA-N 296.414 3.867 30 20 CHED C#C[C@H](CC)NC[C@@H](C)c1cccc(Br)c1 381555720 OSZPZZHQOZLSIK-BXUZGUMPSA-N 280.209 3.554 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 397635966 XBUSKBCGTVSPJB-GFCCVEGCSA-N 282.309 3.831 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N1CCC(CCC#N)CC1 399451069 LQAYDKAARVYMHZ-INIZCTEOSA-N 278.440 3.991 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(F)c(Cl)c1 410123712 HQZYBUKHZGPWLT-JTQLQIEISA-N 255.720 3.564 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 410142550 YFGZCXBMKRVRGC-AAEUAGOBSA-N 281.783 3.578 30 20 CHED Cc1ccccc1-c1noc([C@H](C)SCCC#N)n1 413016768 XDEFKXIVBVIHCE-NSHDSACASA-N 273.361 3.753 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1nc(C(F)(F)F)cs1 414158463 ABUKLZOXQNZYAG-MRVPVSSYSA-N 291.342 3.752 30 20 CHED CC[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 415393154 OORDTSXCFYKTPP-YOEHRIQHSA-N 290.382 3.764 30 20 CHED C=CCOCCS[C@@H](C)c1cc(F)ccc1F 419401075 OAOLYDCHAMEKOV-JTQLQIEISA-N 258.333 3.962 30 20 CHED N#Cc1ccc(CNc2ccccc2N2CCCC2)cc1F 421335590 KYHPAZCPYQUBKX-UHFFFAOYSA-N 295.361 3.910 30 20 CHED CC(C)CC[C@H](NCc1ccc(C#N)s1)C1CC1 421889387 UOEHTZRDVWJOJU-HNNXBMFYSA-N 262.422 3.924 30 20 CHED CC1(C#N)CCC(N[C@@H](CCCN)c2ccccc2)CC1 423499478 BAKUICGGAVWJID-ADKAHSJRSA-N 285.435 3.529 30 20 CHED C=CCN(CC=C)C(=O)c1sc2ccc(C#N)cc2c1C 429841510 QZEGTMNCCUYBLJ-UHFFFAOYSA-N 296.395 3.896 30 20 CHED N#CCC1(CNCc2cc(Cl)cc(Cl)c2)CC1 430036629 PMRVRBCLAGQCKP-UHFFFAOYSA-N 269.175 3.777 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C(C)(C)C 430882032 GXZWUISIMPAMLP-MRXNPFEDSA-N 295.386 3.712 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@@H](c1ccccc1)C1CC1 431312285 IOAWSRWSUNATHS-IRXDYDNUSA-N 286.419 3.834 30 20 CHED CCc1ccc([C@H]2CCN(CCC(C)(C)C#N)C2)cc1 433050054 ZYVJQHXKPHLFOS-KRWDZBQOSA-N 270.420 3.978 30 20 CHED CC(C)CCN(CCC#N)c1ccnc(-c2ccccc2)n1 434958589 NYPMTFFPACMXPM-UHFFFAOYSA-N 294.402 3.910 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](c1cccnc1)C(C)C 436048024 JEPOTGQNMOQYMF-GDBMZVCRSA-N 274.408 3.682 30 20 CHED CC[C@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(F)(F)F 436091729 PDXRZMAHMJNVNM-CABZTGNLSA-N 299.296 3.657 30 20 CHED C[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)[C@@H]1C 437899907 XVJMKPUGNNJFEA-VXGBXAGGSA-N 294.345 3.780 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(C#N)cs1 437912713 SBYPUZJDBBHGBS-PWSUYJOCSA-N 276.405 3.564 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cnn([C@@H](C)CC)c1C 439404735 BCPFTBARHIRUNO-WCQYABFASA-N 278.400 3.639 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C)C1 444134555 AKOHKIFJQZGWOE-PBHICJAKSA-N 299.418 3.668 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccc(C#N)cc1 447564354 WTNILEIACAWPIY-GOSISDBHSA-N 275.355 3.671 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 448563043 AFHQAGUAWSWWNS-IAGOWNOFSA-N 269.388 3.771 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1OC(C)(C)C 449915745 ZBRYXWJXVYKHRB-UHFFFAOYSA-N 297.358 3.624 30 20 CHED CC(C)N(Cc1cccc(F)c1)CC1(C#N)CCC1 450282671 AWESPXYWOXQJTB-UHFFFAOYSA-N 260.356 3.730 30 20 CHED C=CCCN(C)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 451066857 YBELCVVYNWKZNV-IAGOWNOFSA-N 271.404 3.995 30 20 CHED C=C(CNC(=O)c1scnc1C(C)C)c1ccccc1 451756184 MCXIFDOQJKDJDA-UHFFFAOYSA-N 286.400 3.710 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccccc1CCC 454384841 NVZPFXHVIKGVOO-UHFFFAOYSA-N 260.381 3.973 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CCCCCC(=O)C2)CCCC1 456514201 WHAIOLSCECBBJB-OAHLLOKOSA-N 291.435 3.779 30 20 CHED C=C(CC)CNC(=O)[C@H](C)CCCc1ccccc1 456814020 SJQNICMJTWJZBP-OAHLLOKOSA-N 259.393 3.728 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CC[C@H]2CCC[C@@H]21 460798159 LZUOVGUZRLLZMO-CABCVRRESA-N 288.439 3.576 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462197637 VSJCZWPZGCRRQY-NVXWUHKLSA-N 298.430 3.946 30 20 CHED C=CCN(CCc1ccccc1)c1ncc(C)cc1[N+](=O)[O-] 463057502 ZXMOINAVROFCOZ-UHFFFAOYSA-N 297.358 3.533 30 20 CHED Cc1ccc(CCCCC(=O)N[C@H](C#N)C(C)(C)C)cc1 464712340 PKFTZGXZLZFHGB-MRXNPFEDSA-N 286.419 3.762 30 20 CHED C=C[C@@H](C)NC(=O)c1csc(-c2ccccc2Cl)n1 465106086 CMIXBKOYIAGCCB-SECBINFHSA-N 292.791 3.768 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC(C)C)CC(C)C 466378447 NGYLEMCBXWFDKC-CQSZACIVSA-N 254.418 3.665 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(C(CC)CC)c1CC 466526667 CNSYJSSMTJKMLW-ZDUSSCGKSA-N 291.439 3.891 30 20 CHED CC#CCCCC(=O)NCc1ccc(-c2ccco2)cc1F 468385596 UEEREMLTHUGJLX-UHFFFAOYSA-N 299.345 3.896 30 20 CHED C=CCC[C@H](O)CN(Cc1ccccc1)CC1CCC1 472746200 FUSUZCJHTDLBID-SFHVURJKSA-N 273.420 3.616 30 20 CHED C=CCCCCNC(=O)N[C@@H](Cc1ccccc1)C1CC1 472777124 WXYQNKQHOZQCGH-KRWDZBQOSA-N 286.419 3.663 30 20 CHED C=CCN(C(=O)NCc1cccc(C(C)C)c1)C1CC1 483333635 FUSOHRGUYHAEPR-UHFFFAOYSA-N 272.392 3.670 30 20 CHED Cc1ccc2c(c1)CCN([C@H](C)c1cccc(C#N)c1)C2 484015801 LHNNCCZBBFWEAQ-OAHLLOKOSA-N 276.383 3.986 30 20 CHED Cc1ccc(SCc2cccc(F)c2C#N)nc1 488250544 NPWDPGMVWFUIPJ-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=C(C)CNC(=O)N[C@H](CCC)c1ccc(F)cc1F 488583739 ZQESBCIHQLNDOE-CQSZACIVSA-N 282.334 3.681 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2ccc(F)cc2nc1C 488827960 BGRLNAPFCVJULR-HNNXBMFYSA-N 298.361 3.863 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 490050807 SUGNHZOUSMFAFZ-ZDUSSCGKSA-N 286.350 3.646 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)CSc1ccc(F)cc1 494925946 YXKMSOGNWZDEOJ-CYBMUJFWSA-N 295.423 3.979 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 498291425 GSSJEZYLXKEXAF-INIZCTEOSA-N 290.382 3.803 30 20 CHED CC(C)(C)[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 499787729 WSMPQMVTVPJYOJ-MRXNPFEDSA-N 292.467 3.845 30 20 CHED CCCOc1cccc(/C=C/c2ccncc2C#N)c1 504741604 MBIDAXQGKDJNEX-VOTSOKGWSA-N 264.328 3.912 30 20 CHED CC1(C)CCC(C(=O)N[C@@H](C#N)C2CCCCC2)CC1 506512169 RSUAMINVWRBULL-HNNXBMFYSA-N 276.424 3.791 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(C#N)cc1 510044646 WTDVNMYASLOJPO-UONOGXRCSA-N 284.403 3.952 30 20 CHED N#Cc1ccc(CN2CC[C@H]2Cc2ccccc2)c(F)c1 530756789 DAGODUYYOAVOFD-KRWDZBQOSA-N 280.346 3.514 30 20 CHED CCC1(CC)CCN(C(=O)Nc2cccc(C#N)c2)C1 531037313 RUCQUBVSIHIYBR-UHFFFAOYSA-N 271.364 3.602 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(Cl)ccc1O 532089962 AQBDAFFEOMVZBC-UHFFFAOYSA-N 265.740 3.753 30 20 CHED C=C(C)[C@H](CC(=O)N(C)C1CCC(CC)CC1)OCC 535142531 WGKDUZYDNPNPMM-GPANFISMSA-N 281.440 3.785 30 20 CHED C=C(CC)CSCC(=O)Nc1ccccc1CC 536881541 LDSHZPHNHYNOJE-UHFFFAOYSA-N 263.406 3.887 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)Nc1cc(F)ccc1F 536882209 UZHZWFSHKXSPFW-JTQLQIEISA-N 285.359 3.991 30 20 CHED C=CCCO[C@H](C)C(=O)NC1CC(C)(C)CC(C)(C)C1 537485335 AJJNGLGQRQZNRC-CYBMUJFWSA-N 281.440 3.689 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccc(F)cc1F)C(C)(C)C 538223787 CIBFXPKQVCVJHH-BBRMVZONSA-N 297.389 3.969 30 20 CHED C=C(CC)CS[C@H](C)C(=O)NCCc1ccc(F)cc1 540193485 XNWYBJWHUHLCRC-CYBMUJFWSA-N 295.423 3.572 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1sc(C(C)(C)C)nc1C 540393483 LIRCGFGGKGMBED-AAEUAGOBSA-N 296.480 3.584 30 20 CHED Cc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 540702612 XTNPLJLXYYUDMI-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=C(CC)CN[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 541691599 UCYGQDSGYBAZLL-ZDUSSCGKSA-N 285.391 3.916 30 20 CHED Cc1cc(NC(=O)N2CCC(C#N)CC2)ccc1C1CC1 547521373 JROLKVCGMKFNHE-UHFFFAOYSA-N 283.375 3.640 30 20 CHED Cc1cc(F)ccc1C(=O)N[C@](C)(C#N)C1CCCCC1 550744621 QHVMCYDXHRQEJR-QGZVFWFLSA-N 288.366 3.727 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)CC1CCCCCC1)CC2 559473096 DGYHKGAPKCFSIA-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C[C@H]1CCCN(Cc2ccc(C#N)cn2)c2ccccc21 565154432 AYMNTJYAGFMXLY-AWEZNQCLSA-N 277.371 3.857 30 20 CHED N#Cc1cc(F)c(N2CCC23CCC3)cc1Br 566484484 NQGPAMDHDOYTBF-UHFFFAOYSA-N 295.155 3.593 30 20 CHED Cc1csc(NC(=O)N2CCc3ccccc3C2)c1C#N 570151092 JYAZUIPNSNCFES-UHFFFAOYSA-N 297.383 3.518 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@]1(C)OCCc2sccc21 572209168 PRVUPNGDNDAHMY-HEHGZKQESA-N 279.449 3.726 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] 573219449 COFNGEVIHARGIY-CQSZACIVSA-N 287.363 3.502 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccc(C#N)cc1 573332110 MMLDVAZACGQASW-WMLDXEAASA-N 298.430 3.774 30 20 CHED C=CCCCCCNC1CCN(C2CCCC2)CC1 573934171 QQCICRPBQRHBGW-UHFFFAOYSA-N 264.457 3.729 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2cc3cc(Cl)ccc3[nH]2)no1 579077604 IUSZLMNCANQYOL-VXJOIVPMSA-N 298.733 3.672 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 579112143 ARKBIRKQHYKDMJ-BBRMVZONSA-N 288.366 3.899 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)c1cccc(C#N)n1 579404227 ACHIMCZHISUDAM-UHFFFAOYSA-N 279.387 3.887 30 20 CHED C=CCCCCCN(C)c1cc(C(C)=O)ccc1C#N 581782215 PXEDQQHXTHHMSY-UHFFFAOYSA-N 270.376 3.943 30 20 CHED N#CCCCCCC(=O)N1CCC(Cc2ccccc2)CC1 588147802 TWEHFZWDDRRKTI-UHFFFAOYSA-N 298.430 3.942 30 20 CHED N#CCCCCCC(=O)NCCCCc1ccccc1 588148751 NAQIBPVXWISOHW-UHFFFAOYSA-N 272.392 3.600 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C(C)C)sc2cc(F)ccc12 588952382 NRSKIVWBBRRGJO-GFCCVEGCSA-N 290.363 3.627 30 20 CHED CN(Cc1ccccc1Cl)c1nc(C#N)c(Cl)s1 590569218 MGGSZAIRFNVTSY-UHFFFAOYSA-N 298.198 3.958 30 20 CHED C[C@H]1CC2(CCOCC2)CN1c1c(Cl)cccc1C#N 591994473 XCCGQQRRVZGMQL-LBPRGKRZSA-N 290.794 3.607 30 20 CHED CSc1cc(F)ccc1NC(=O)C1(C#N)CCCC1 592719764 HBFSNQGAPYWATP-UHFFFAOYSA-N 278.352 3.570 30 20 CHED Cc1cc(-c2cccc(C#N)c2)ccc1O[C@@H]1CCOC1 592983177 DREXZGSQFJQREY-QGZVFWFLSA-N 279.339 3.701 30 20 CHED N#Cc1ccc(CCN[C@H]2CCSc3ccccc32)cc1 595058227 ZTQXLAXTODRIMT-KRWDZBQOSA-N 294.423 3.927 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCC[C@@H](CC#N)C1 595504424 IXZWNAAKJXHWSE-PMPSAXMXSA-N 291.439 3.538 30 20 CHED C[C@@H](C#N)N(Cc1ccc(CN2CCCCC2)cc1)C1CC1 595710426 PDZCKHWMCDYBLE-INIZCTEOSA-N 297.446 3.549 30 20 CHED Cc1ccc(C#N)nc1N1C[C@@H](c2ccccc2)C[C@H]1C 596130253 ZGQNTEMDOAAVAI-ZBFHGGJFSA-N 277.371 3.644 30 20 CHED N#CCC1(CSCc2ccc(-n3cccn3)cc2)CC1 596323391 KQCUTSBVVUSQLE-UHFFFAOYSA-N 283.400 3.799 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCC[C@@H](CC#N)C1 596896619 ZOEIUVAKLCGJHU-HNNXBMFYSA-N 297.402 3.963 30 20 CHED CC(C)[C@H](CC(=O)N(C1CC1)[C@H](C)C#N)c1ccccc1 598130740 UXZWUKVLIHWQDW-PBHICJAKSA-N 284.403 3.719 30 20 CHED N#CCc1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 598153608 PWBSHEWJTVUIDC-GOSISDBHSA-N 296.414 3.795 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@H](C)c1cccc(C)c1 599555769 VTQDHHPUKMWOLE-AWEZNQCLSA-N 272.392 3.545 30 20 CHED C=CCCOCC(=O)N[C@H](CC(C)C)c1ccccc1C 602025298 RBUXDEYTJHQMMV-QGZVFWFLSA-N 289.419 3.791 30 20 CHED C[C@H]1CCCCN1C[C@H]1CCCN(C[C@H](C)CCC#N)C1 602451014 NKWHXDAKRXAFPE-SQNIBIBYSA-N 291.483 3.513 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1c2ccccc2CC12CCOCC2 602667211 NQJIEERCECFADX-MAUKXSAKSA-N 298.430 3.610 30 20 CHED COc1ccc(F)cc1[C@H](C)N[C@H](C#N)Cc1ccccc1 603955030 LZPHVBQXWLKPMX-BBRMVZONSA-N 298.361 3.620 30 20 CHED COc1cccc2c1OCC[C@@H]2Nc1ccc(C#N)cc1 608779385 ILCYYRUMUUSZLD-HNNXBMFYSA-N 280.327 3.503 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 609921534 IFKGFKLWCKXGCU-OCCSQVGLSA-N 264.413 3.647 30 20 CHED C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccc(C#N)c(F)c1 611475752 GKIOQHUHLYJTMK-BXKDBHETSA-N 268.282 3.536 30 20 CHED COCCC1(CNc2ncc(Cl)c(C)c2C#N)CCC1 612084733 JULFQSXCIZXIMM-UHFFFAOYSA-N 293.798 3.534 30 20 CHED C=CCCNC(=O)C(C)(C)c1cccc2ccccc12 617619019 FRTGEYAYCLWTQA-UHFFFAOYSA-N 267.372 3.810 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])cc1 618693654 LPLGZCGLCGECOF-INIZCTEOSA-N 279.299 3.566 30 20 CHED N#Cc1ccc(CNCc2cccc(F)c2)cc1Cl 619748427 LBVGBGMEZGOGGD-UHFFFAOYSA-N 274.726 3.641 30 20 CHED CC[C@H](C)[C@@H](C)NCc1ccc(C#N)c(Cl)c1 619754831 LRTVWALDPLOMFC-WDEREUQCSA-N 250.773 3.736 30 20 CHED C=CCN(CC=C)C(=O)C1(c2cccc(Cl)c2)CCC1 641852283 LIIFAJPFJOVHHQ-UHFFFAOYSA-N 289.806 3.962 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2cccc(F)c2o1 644961579 OGZFNHCZSZWHAH-UHFFFAOYSA-N 275.323 3.904 30 20 CHED C=CCCN[C@H](C)Cc1ccc(Br)c(F)c1 658115838 DVTIDBDOUYPTKG-SNVBAGLBSA-N 286.188 3.685 30 20 CHED C=CCCNC(=O)N[C@H](C)c1cccc(Cl)c1Cl 660684990 BYJAIOIKPIQIPW-SECBINFHSA-N 287.190 3.930 30 20 CHED C=C[C@H](C)NC(=O)c1cccnc1Sc1ccccc1 674956988 PCSPZEOTZGAJSY-LBPRGKRZSA-N 284.384 3.537 30 20 CHED C=CCOc1cccc(CN(C)Cc2ccc(C)cn2)c1 682788074 HXYYNBVBSMESAJ-UHFFFAOYSA-N 282.387 3.587 30 20 CHED C=C(CN[C@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 684112822 CTQOQRSQYPQEHF-MSOLQXFVSA-N 295.430 3.749 30 20 CHED COCCc1ccccc1N[C@@H](C)CC(C)(C)C#N 695815063 JWVRNPMOLYWTBL-ZDUSSCGKSA-N 260.381 3.616 30 20 CHED Cc1ccc(C=NNc2ccc(OC(F)F)cc2)o1 726427222 SMMGWBQHFACELQ-UHFFFAOYSA-N 266.247 3.635 30 20 CHED Cc1ccc(CC(=O)O[C@@H](C)c2cccc(C#N)c2)cc1 727640525 IUBVGPPJFBBZIC-AWEZNQCLSA-N 279.339 3.714 30 20 CHED Fc1ccc(C=NNc2cccc3cnccc23)cc1 728432336 REGDTWVREPXGQD-UHFFFAOYSA-N 265.291 3.820 30 20 CHED Cc1ccc(NN=Cc2ccccc2-c2ccccc2)nn1 729937946 MOGACDMONHVNHD-UHFFFAOYSA-N 288.354 3.898 30 20 CHED CCOc1ccccc1C=NN=c1cc[nH]c2ccccc12 730147680 IFTYWVZVMHINHH-UHFFFAOYSA-N 291.354 3.501 30 20 CHED C#CCOc1cccc([C@H](C)OC(=O)/C=C/c2ccco2)c1 730700227 PRLNBSVLBOGHJO-HBWSCVEGSA-N 296.322 3.609 30 20 CHED CCc1oc2ccccc2c1C=NNc1cc(C)ncn1 731934753 HBVBCDCZFBYVAJ-UHFFFAOYSA-N 280.331 3.540 30 20 CHED C=CCN(CC1CCCCC1)C(=S)NCC(=C)C 732625549 OXQQPEXXPPVGCM-UHFFFAOYSA-N 266.454 3.505 30 20 CHED C=C(Cl)COC(=O)[C@H](CC)Cc1ccccc1 732858389 YRAJTEFZYVIQKM-CYBMUJFWSA-N 252.741 3.551 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)C1CCCC1 733076343 NGWWGFSMHBFADH-UHFFFAOYSA-N 253.349 3.635 30 20 CHED C#CCCOc1ccc(CNC(C)(C)C(C)C)cc1 733327789 GYHKRYBCFNSAGP-UHFFFAOYSA-N 259.393 3.613 30 20 CHED C=CCCCOC(=O)Cc1c[nH]c2cc(Cl)ccc12 735533093 LLDHOBKBDNETQG-UHFFFAOYSA-N 277.751 3.873 30 20 CHED C=CCCCOC(=O)c1csc(C(C)(C)C)n1 735535091 RPOWCINAKZYVNP-UHFFFAOYSA-N 253.367 3.564 30 20 CHED N#Cc1cccc(COC(=O)c2cc3occc3s2)c1 736898524 ZHDDCAAOKQGNBD-UHFFFAOYSA-N 283.308 3.723 30 20 CHED COc1ccc(CCNN=C2CCC(C)(C)CC2)cc1 737440123 VWPGRIAMQSKMDE-UHFFFAOYSA-N 274.408 3.784 30 20 CHED Cc1ccc(C[C@H](C)/N=C\c2cccc(O)c2O)s1 737441205 YZNIPIKMJMSFBW-XBTXGSBDSA-N 275.373 3.518 30 20 CHED CCCCCC[C@H](C)C(=O)NCc1cc(C#N)ccc1F 742733738 SPWRXRPAQBVTBS-ZDUSSCGKSA-N 290.382 3.920 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(C)s2)cc1 742861630 BDXSHALGHRYPFQ-UHFFFAOYSA-N 274.341 3.841 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(O)c([N+](=O)[O-])c1 743449079 MNIFFNWRNODVED-LBPRGKRZSA-N 293.367 3.583 30 20 CHED CCCCCC[C@H](C)NN=C1CCN(CC)C[C@@H]1C 743450190 HGUKKBNHZJDWHV-GJZGRUSLSA-N 267.461 3.653 30 20 CHED C#CCCCNC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 745900064 VRBFCPUZMOLYTH-QZTJIDSGSA-N 298.430 3.686 30 20 CHED C[C@H](/N=C\c1ccccc1O)c1cccc(-n2cccn2)c1 745977225 RPRLDIQZCOBVOD-QIQQCEGHSA-N 291.354 3.758 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc(O)cc1 746999689 PQZLTFWZCVXOAD-TWGQIWQCSA-N 268.312 3.605 30 20 CHED CCOc1cccc(/C=N/CCc2cccc(C)c2)c1O 749103779 BNAAYQOWKGANNM-CPNJWEJPSA-N 283.371 3.761 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1F 752879104 FGEVXWWWLNFPTR-BAQGIRSFSA-N 289.237 3.769 30 20 CHED Cc1cc(C)nc(NN=CCCCCOc2ccccc2)n1 753967722 OOMWZGOFYXAILO-UHFFFAOYSA-N 298.390 3.740 30 20 CHED C[C@H]1C[C@@H](NC(=O)/C=C\c2ccccc2C#N)CC[C@H]1C 754633596 XZCXWHVHHBUDSN-AMERNYOASA-N 282.387 3.512 30 20 CHED Cc1sc2ncnc(NN=CC(C)(C)C)c2c1C 755521792 UEXYQOYQGIELQE-UHFFFAOYSA-N 262.382 3.752 30 20 CHED Fc1cc(F)cc(C=NNc2c(F)cccc2F)c1 755732091 CXMLVWMGSVMBAD-UHFFFAOYSA-N 268.213 3.689 30 20 CHED Clc1nc2ccccc2cc1C=NO[C@H]1CCCCO1 755825150 UTTYZZRGJMATOD-AWEZNQCLSA-N 290.750 3.765 30 20 CHED Clc1cccc(CNN=Cc2ccsc2)c1 756828272 ZYGXKFJOSWNFFM-UHFFFAOYSA-N 250.754 3.525 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccc(C)cc2O)ccc1O 757475054 GGRPCHZTHSQLPY-VMPITWQZSA-N 298.338 3.701 30 20 CHED N#CCCCCOC(=O)c1cncc(-c2ccccc2)c1 757892702 ZXASIOSHELKSRE-UHFFFAOYSA-N 280.327 3.599 30 20 CHED N#CCC1(COC(=O)c2cncc(-c3ccccc3)c2)CC1 757898685 OXGMDFSFQFLIDP-UHFFFAOYSA-N 292.338 3.599 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)CCc2c(O)cccc21 759082135 CBRXVXITKUCWEX-VURMDHGXSA-N 291.759 3.715 30 20 CHED C=CC[C@@H](C)NC(=O)/C(C)=C\c1cccc(Cl)c1 759127007 RIIQRIZLVPCCCV-UCQJPZFISA-N 263.768 3.824 30 20 CHED CC(=NNc1ccccc1F)c1ccc(F)cc1N(C)C 759193857 SKETYRPKVKGSRR-UHFFFAOYSA-N 289.329 3.867 30 20 CHED Cc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)cnc1Cl 760264655 KXMSPVQDHXAIQP-PLNGDYQASA-N 289.766 3.717 30 20 CHED CC#CCCOC(=O)c1ccc(-c2ccccc2)nc1C 760288930 HJORJQYVTMQUJR-UHFFFAOYSA-N 279.339 3.627 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1ccc[nH]1 760860628 QNNSBCXESCKBLH-CQSZACIVSA-N 289.423 3.854 30 20 CHED CC(=NNc1ccccc1F)c1ccc(C#N)s1 762447681 RUJXLTOARLJVHK-UHFFFAOYSA-N 259.309 3.595 30 20 CHED CCn1nccc1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 763291048 UOYQUAYNAXIBQG-VQCBNXJZSA-N 278.355 3.603 30 20 CHED C#CCN(C(=O)c1ccc(-c2ccc(CC)cc2)o1)C1CC1 763796281 YOVIDAPSLSQWOH-UHFFFAOYSA-N 293.366 3.747 30 20 CHED CCO[C@@H]1CC(=NNCc2cnc3ccccc3c2)C1(C)C 764788006 IBTNJVGCBOCOPB-QGZVFWFLSA-N 297.402 3.515 30 20 CHED Fc1cccc2c1SCCC2=NOCC(F)(F)F 764835782 OGKCAXAEPQHULH-UHFFFAOYSA-N 279.258 3.605 30 20 CHED C=CC[C@H](N[C@H]1C[C@H](OC(C)C)C1(C)C)c1ccncc1 765804269 RVCTXWVFKHJWJC-ULQDDVLXSA-N 288.435 3.881 30 20 CHED C#CCCCNc1ccccc1N1CCCCCC1 766729132 CKOHVDDRMSIKBX-UHFFFAOYSA-N 256.393 3.892 30 20 CHED CC#CCCCC(=O)Oc1ccc(Cl)c(C)c1 767045455 GSGIWWDWTFRQDN-UHFFFAOYSA-N 250.725 3.747 30 20 CHED CSC[C@@H](C)C(=O)OCc1ccccc1C(C)(C)C#N 768023643 SSBVXICQUZELTI-GFCCVEGCSA-N 291.416 3.530 30 20 CHED C#CCCCOC(=O)CCCc1cccc(C(F)(F)F)c1 770426178 IRJBGRQIUCKUON-UHFFFAOYSA-N 298.304 3.985 30 20 CHED FC(F)(F)c1ccccc1NN=C1CCCOCC1 770598741 JVKWMHWXTZLADM-UHFFFAOYSA-N 272.270 3.674 30 20 CHED CC(=O)CCCCCCC(=O)OCc1cccc(C#N)c1 772081473 KKCHMKRYLVJZGR-UHFFFAOYSA-N 287.359 3.531 30 20 CHED C=C(Br)CNC(=O)Nc1ccc(C2CC2)cc1 772567110 QZBGYYHBYHUFJI-UHFFFAOYSA-N 295.180 3.594 30 20 CHED N#Cc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c(F)c1 772801955 JDXVGMJUAXWNRS-MLPAPPSSSA-N 298.704 3.843 30 20 CHED CCC(CC)CNN=C(C)C[C@H](C)NC(=O)OC(C)(C)C 774475788 QDEBSSYZRSXLBO-LBPRGKRZSA-N 299.459 3.691 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCCCOCCC=C)c1 775713294 HXTALAWWGBKJRI-UHFFFAOYSA-N 299.414 3.784 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(OCC2CC2)cc1 776377469 BMWWRDCOHAWAII-UHFFFAOYSA-N 287.359 3.572 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(-c2ccccc2)[nH]1 776385169 NRYSBAIXUDEENW-UHFFFAOYSA-N 282.343 3.778 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc(C#N)c(F)c1 776729073 PCHXOBHIVABRAS-CMDGGOBGSA-N 281.286 3.602 30 20 CHED C#CCCCNc1cc(C)n(-c2ccccc2Cl)n1 776854638 IFOCFHVBXJPWNU-UHFFFAOYSA-N 273.767 3.659 30 20 CHED CC(C)CC(=NOCCC(F)(F)F)c1ccccn1 777459090 GTFHWNKSXDMDLR-UHFFFAOYSA-N 274.286 3.801 30 20 CHED C=C(C)CNC(=O)c1cc2ccc(C(C)C)cc2[nH]1 779129719 ANCVWROKFXRPIX-UHFFFAOYSA-N 256.349 3.597 30 20 CHED C[C@H](C#N)Oc1ccccc1NCCCOC(C)(C)C 779742794 KHZISNHBDNWHRI-CYBMUJFWSA-N 276.380 3.595 30 20 CHED CC(=NNc1ccccc1Br)[C@@H]1CCCOC1 779769582 YVCZGEDESSDOTJ-LLVKDONJSA-N 297.196 3.664 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1cc(F)ccc1F 779812200 OLXMEVHWXMTMBO-UHFFFAOYSA-N 286.285 3.677 30 20 CHED COc1ccnc(NN=C(C)c2cc3ccccc3s2)n1 780210780 YQBJTJCFRUPHBE-UHFFFAOYSA-N 298.371 3.536 30 20 CHED CC(C)CC(CC(C)C)=NNc1ncncc1Cl 780279455 DTDOCLMXYVHRJY-UHFFFAOYSA-N 268.792 3.990 30 20 CHED Cc1nc2cc(Nc3ncccc3C#N)ccc2s1 781393534 CBORZFGZZMWUOQ-UHFFFAOYSA-N 266.329 3.615 30 20 CHED Cc1cc(/C=C/C(=O)c2ccnc(Cl)c2)cnc1Cl 782193731 HJVXQILXLPUEKA-NSCUHMNNSA-N 293.153 3.988 30 20 CHED C=CCCCCCOC(=O)Cc1noc2ccccc12 782563511 BCXWQZWWOPEPNL-UHFFFAOYSA-N 273.332 3.660 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C1CC(F)(F)C1 783873159 SDZYBQQBQULTJF-UHFFFAOYSA-N 295.329 3.568 30 20 CHED CC(C)c1nccc(N[C@H]2CCc3cc(C#N)ccc32)n1 784831655 DPADEBYZGVTFFL-HNNXBMFYSA-N 278.359 3.571 30 20 CHED C[C@H](N[C@H]1C[C@@H]1c1cccc(F)c1)c1cccc(C#N)c1 785530123 NBXJHVYPVWHXQN-RZAIGCCYSA-N 280.346 3.904 30 20 CHED C/C=C(/C=C/C(=O)N[C@@H]1CCc2cc(C#N)ccc21)CC 787844123 NYKOKOHPACJYFV-XOKFBIGISA-N 280.371 3.574 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@H]1CCCc2ccccc21 790652323 QGUMCGDCYBWIHV-INIZCTEOSA-N 269.388 3.572 30 20 CHED C#CCCCNc1ccc(-c2ccncc2)c(C)c1 793886864 CFNVDHZQFXZTFY-UHFFFAOYSA-N 250.345 3.882 30 20 CHED C=C(C)CNC(=S)N1C[C@H](C)C[C@@H]1c1ccccc1 795156880 LIMYYAFRAGEWNQ-UKRRQHHQSA-N 274.433 3.520 30 20 CHED CCCCSCC(=O)N(CCC#N)c1ccc(C)cc1 797726577 JITYENIZYOXHPY-UHFFFAOYSA-N 290.432 3.775 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCCCC)C(C)C 798041280 ZWSWYMIKJUJLNN-BBWFWOEESA-N 295.467 3.936 30 20 CHED Cc1ccc(C(=O)N(C)CCC2CCCCC2)cc1C#N 799599920 GQCXYGLLHZRBIQ-UHFFFAOYSA-N 284.403 3.909 30 20 CHED C[C@@H](COC(=O)C(C)(C)C#N)c1ccc(C(F)(F)F)cc1 800140733 VAUCYEPEGBKSMX-JTQLQIEISA-N 299.292 3.902 30 20 CHED C[C@H](C#N)OCCN1CCC[C@@H]1c1cccc2ccccc12 801916219 ROKNNIICKWJOTC-DNVCBOLYSA-N 294.398 3.905 30 20 CHED CC[C@@H](C)CCC(=O)O[C@H](C#N)C1CCCCC1 802799857 HZFOSSGAXKECEN-TZMCWYRMSA-N 251.370 3.828 30 20 CHED CCc1[nH]ccc1C(=O)OCc1ccccc1C(C)(C)C#N 803777439 KETDGXCJZVTWFR-UHFFFAOYSA-N 296.370 3.735 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(SC)c(Cl)c1 806328047 AZPFPSIFJGPJPB-SECBINFHSA-N 282.796 3.595 30 20 CHED CCCCCCCCCNC(=O)N(C)[C@H]1CCCOC1 806332469 OATFJBJFWCKGJQ-HNNXBMFYSA-N 284.444 3.557 30 20 CHED C=CCCCCCCNC(=O)Nc1ncc(COC)s1 806605641 SXOBRNRZLZQJGA-UHFFFAOYSA-N 297.424 3.548 30 20 CHED CC[C@H]1CCC1=NN[C@@H](C)CCc1ccc2c(c1)OCO2 807987450 GFXIOZLBMLLANF-JSGCOSHPSA-N 288.391 3.502 30 20 CHED C(=NNc1nccnc1C1CCC1)[C@@H]1C[C@@H]1c1ccccc1 807991113 IYDOKIUAVJBGCE-JKSUJKDBSA-N 292.386 3.946 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=CCCc1ccccc1 807991232 UDGFBJNJHCBZII-UHFFFAOYSA-N 283.331 3.934 30 20 CHED C[C@H]1/C(=C/c2cnc3ccccn23)C(=O)c2ccccc21 809155831 GRXPGROUNGACNS-YUSFRKCESA-N 274.323 3.718 30 20 CHED C#C[C@H](N[C@H](C)C[C@@H]1CCOC1)c1ccc(Cl)cc1F 809698371 CVVGMAJDJZPKIF-WQGACYEGSA-N 295.785 3.558 30 20 CHED C#C[C@@H](NC/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)(C)C 809781306 OKLFZVGZNBXUGL-QSOAKEGCSA-N 286.375 3.636 30 20 CHED C(=NNCc1ccccc1)c1ncc(-c2ccccc2)s1 811634196 HEZPSPXNQRXYBZ-UHFFFAOYSA-N 293.395 3.934 30 20 CHED COc1cccc2cc(C(C)=NOC/C=C\Cl)oc12 811671495 GOKAUHBHIWWARE-PLBVDPBDSA-N 279.723 3.935 30 20 CHED Clc1ccc(C=NOC2CCC2)c2ncccc12 812237262 RNJFMPFREDHZDP-UHFFFAOYSA-N 260.724 3.791 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)CCCC3CC3)[nH]c12 813070393 RHRBLPAUVTWFKL-CYBMUJFWSA-N 281.359 3.628 30 20 CHED N#C[C@@H](C(=O)[C@H]1CC=CCC1)c1cc(C(F)(F)F)ccn1 813211700 ORNGEYQRWHLFIO-CMPLNLGQSA-N 294.276 3.633 30 20 CHED Cc1c(C=Nn2cnc3ccccc32)n(C)c2ccccc12 814780073 YASZOFOMROVIMR-UHFFFAOYSA-N 288.354 3.719 30 20 CHED Fc1cccc(NN=C2CC[C@H]2C2CCC2)c1F 814859176 LWDZPALWJQJWAG-JTQLQIEISA-N 250.292 3.943 30 20 CHED CSC(C)(C)CC=NNCc1cccc(Cl)c1 814867495 GZLNRQQAVVUQCZ-UHFFFAOYSA-N 270.829 3.947 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1OCCC 814871381 QXBNNESKAKFAHO-UHFFFAOYSA-N 269.291 3.625 30 20 CHED CCCC(=NNc1nccnc1C(C)C)c1cccnc1 814917194 QORHIJKQAWMZBN-UHFFFAOYSA-N 283.379 3.611 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1cc[nH]n1 814936225 FRNDNVVUKYWHBM-UHFFFAOYSA-N 256.353 3.678 30 20 CHED C=CCC(F)(F)C(=O)NCc1oc2ccccc2c1C 815624371 WYXOSRUPQAXUTG-UHFFFAOYSA-N 279.286 3.569 30 20 CHED C=CCCCCC[C@H](C)NCc1ncn(-c2ccccc2)n1 815657654 FAESWQKNPBLYJO-INIZCTEOSA-N 298.434 3.882 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 815709070 PXFPUZKCOIQHGH-OAHLLOKOSA-N 295.373 3.986 30 20 CHED C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc(OCC#N)cc1 818346319 RXPZFOBJDIOIJU-SKDZVZGDSA-N 284.403 3.676 30 20 CHED C=C[C@H](CC)CC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 820224550 UDIJTQSQJZVBHX-CJNGLKHVSA-N 272.392 3.593 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2ccc(C(=O)O)[nH]2)cc1 827117609 DYOBQOZNFIWMFR-GFCCVEGCSA-N 299.374 3.521 30 20 CHED C=CCC[C@@H](NC(=O)C(F)(F)CC)c1ccccc1 830680449 IMJGGWWYPWIUIZ-CYBMUJFWSA-N 267.319 3.855 30 20 CHED CC(C)C[C@@H](C)OC(=O)N[C@@H]1CCc2cc(C#N)ccc21 831307559 CNXROLFBTLBTDD-MLGOLLRUSA-N 286.375 3.706 30 20 CHED CC(=NNc1ccc2ccccc2n1)[C@H]1C[C@H]2CC[C@H]1O2 834920568 PCZHMIZYSJORPC-IIAWOOMASA-N 281.359 3.590 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1ccncn1 834941017 DQPWJCKAZBIVOR-CYBMUJFWSA-N 282.391 3.675 30 20 CHED CC1(C)CCCC[C@H]1NN=C1CCOC2(CCC2)C1 834977916 PAJBJZPQWLAGER-CQSZACIVSA-N 264.413 3.634 30 20 CHED Cc1sccc1C=NN[C@H]1CCc2c(F)cccc21 835021592 PMBFECXPZFPQJT-HNNXBMFYSA-N 274.364 3.807 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 835037185 PDODLSVBOBVKHE-MCIONIFRSA-N 295.386 3.956 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)C1=CC[C@H](C)CC1 835336967 KYMMLRAVKATKIX-BBRMVZONSA-N 266.381 3.505 30 20 CHED C/C(=C/C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 839051246 MXNUGOXQGDOIGC-VELOCXKFSA-N 287.334 3.855 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2coc3ccccc23)C1 839061200 BOVFUNLOJCHCLP-TZMCWYRMSA-N 283.327 3.601 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C)c(F)cc1Cl 839354396 BCRYOLPHLAOYLG-UHFFFAOYSA-N 277.673 3.937 30 20 CHED C#Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc(C)c32)cn1 839386828 XEFUVJKCRHMREE-CYBMUJFWSA-N 290.366 3.525 30 20 CHED CC[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccncc1 839450051 UVQXPVBECLULEB-YOEHRIQHSA-N 284.359 3.550 30 20 CHED Cc1cc2nc(NCC(C)(C)CC#N)c3ccccc3n2n1 840334286 OEVUJKATNDKGBI-UHFFFAOYSA-N 293.374 3.543 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccc(Cl)cc1 840795824 DDBUWJAPPIZLEO-UHFFFAOYSA-N 268.813 3.839 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Oc1cccc(OCC#N)c1 841343042 TUUURPPJHCUCFQ-UONOGXRCSA-N 287.359 3.711 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)OCCCF 841476007 BYJKXHJXUJRYLW-UHFFFAOYSA-N 291.775 3.886 30 20 CHED C[C@@H](O)c1ccc(OCCC2(C#N)CCCCC2)cc1 842080133 KORDEVMWZSTUAG-CQSZACIVSA-N 273.376 3.983 30 20 CHED Cc1cc(SCc2ccnc(N(C)C)c2)ccc1C#N 842632907 MNYKZGMKYWQHRS-UHFFFAOYSA-N 283.400 3.620 30 20 CHED C=CCC[C@H](OC(=O)c1coc(-c2cccnc2)n1)C1CC1 850904779 QFHUTRZFLIGVCS-HNNXBMFYSA-N 298.342 3.638 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1c(F)cccc1F 851207708 GHZNTUJTGCDJCO-WDEREUQCSA-N 295.329 3.940 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C\c1ccccc1 851214530 RMXHTKVAJJYGQU-ASCRHOAZSA-N 257.333 3.571 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1nc(-c2ccncc2)no1 853299596 TZHGVQSEOUAPRS-GFCCVEGCSA-N 297.362 3.666 30 20 CHED Fc1cccc(NN=C[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 853344236 IOVKJZMIKXHVNI-VHSXEESVSA-N 289.276 3.987 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccc(F)cc1F 860197203 FZFCTKRTBXQMMI-JTQLQIEISA-N 281.302 3.899 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccc(F)cc1 860499830 CCOCXMJIDSIVDO-NSHDSACASA-N 263.312 3.760 30 20 CHED C=CCC1(C(=O)OCc2ccc3cc[nH]c3n2)CCCC1 861032548 IVSYIBWKFSAXNY-UHFFFAOYSA-N 284.359 3.743 30 20 CHED c1ccc(COCCCNN=C2CC3(CCC3)C2)cc1 863178335 MGFJGGAVGIQMHP-UHFFFAOYSA-N 272.392 3.503 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C\c2cnnn2CC)cc1 863197467 RKLBEBWEPDKBOX-OEYXZAGESA-N 283.375 3.708 30 20 CHED C=C(C)C[C@@H](NCc1cccc(C2CCCC2)c1)C(=O)O 864530062 RLERRWLMSGJIJR-QGZVFWFLSA-N 287.403 3.853 30 20 CHED C=CCOCSc1nnc(C[C@@H](C)c2ccccc2)o1 865347313 XMVXUCWADYLHMW-GFCCVEGCSA-N 290.388 3.668 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H]1c1ccccc1 879019550 VPHKYCPPTIBOTK-BBRMVZONSA-N 257.377 3.808 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(Cl)c(O)cc1F 879979311 AIOWNMKLJRXYAZ-UHFFFAOYSA-N 271.719 3.726 30 20 CHED Cc1ccc(N[C@@H]2CCOC3(CCCCC3)C2)c(C#N)n1 882111130 YWZGRHPJRGKGHD-CQSZACIVSA-N 285.391 3.556 30 20 CHED CCc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)nc1 882721336 DUWRTKDOUGZILC-UHFFFAOYSA-N 293.370 3.697 30 20 CHED C=C1CCC(C(=O)N(C)c2cc(Cl)ccc2C#N)CC1 889413322 SQZFSBKDPCIXDB-UHFFFAOYSA-N 288.778 3.921 30 20 CHED C=CCN(CCC#N)c1ccc(C(F)(F)F)c(Cl)n1 893947822 MGXZDZGJFCRVMG-UHFFFAOYSA-N 289.688 3.660 30 20 CHED CCn1ccnc1C(=O)/C=C/c1cnc(C(C)(C)C)s1 901555879 KNWLNNIQXZPGRT-VOTSOKGWSA-N 289.404 3.553 30 20 CHED C=CCC[C@H](CC)N[C@H](C(=O)O)c1ccc(F)c(C)c1 901844371 UULFESGTDYSAPL-ZFWWWQNUSA-N 279.355 3.594 30 20 CHED CC[C@@H](N[C@@H](C)c1ccccn1)c1cccc(C#N)c1 902720991 RVEFXPBTLLRJJD-XJKSGUPXSA-N 265.360 3.755 30 20 CHED C=C(C)COC(=O)c1[nH]c2ccccc2c1Br 915510153 IQHVGZZEWNBBEF-UHFFFAOYSA-N 294.148 3.663 30 20 CHED c1ccc2[nH]c(NN=C3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)nc2c1 915915643 TWMDXMGUYWPZJS-NDBYEHHHSA-N 280.375 3.787 30 20 CHED Cc1ccc(C=NNc2nc3ccccc3n2C)c(C)c1 915967743 NGZRDTNZADSYEV-UHFFFAOYSA-N 278.359 3.636 30 20 CHED N#CCCCOc1ccc2c3c(c(=O)oc2c1)CCCCC3 916599408 QFKRRDSYSISNLI-UHFFFAOYSA-N 297.354 3.744 30 20 CHED CCOc1cccc(N=Cc2cc(OCC)ccc2O)c1 917557384 JATOHQHDHOCDAE-UHFFFAOYSA-N 285.343 3.940 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC[C@@]1(C)CC1(Cl)Cl 926532180 SDJWKKLLDHGGKD-JQWIXIFHSA-N 277.239 3.878 30 20 CHED C=CCCC(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 928485909 YMPRUKXQMDJUHA-UHFFFAOYSA-N 292.766 3.593 30 20 CHED Cc1cc(NC(=O)N2CCC[C@@H](C#N)C2)c(Cl)cc1F 931374791 PPHWJFONBKNZCB-JTQLQIEISA-N 295.745 3.555 30 20 CHED Cc1noc(C)c1CN1CCC(c2ccc(C#N)cc2)CC1 933613167 XATLBYGEXPMNBC-UHFFFAOYSA-N 295.386 3.543 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cn(-c2ccccc2)nc1C 935309467 CCKZPEXXEFRAPI-CQSZACIVSA-N 283.375 3.722 30 20 CHED N#Cc1ccc(COC(=O)C2(Cc3ccccc3)CC2)s1 1118397761 HTRRNPDGHJQYAD-UHFFFAOYSA-N 297.379 3.686 30 20 CHED C=C(C)CCC(=O)N(CC#N)c1ccc(Cl)cc1 1121128720 TWZCCZRXBFQQDQ-UHFFFAOYSA-N 262.740 3.553 30 20 CHED C=C(C)CCC(=O)N(c1cccc(C#N)c1)C1CCC1 1121227095 QKBOYIVVYMMKIJ-UHFFFAOYSA-N 268.360 3.800 30 20 CHED Cc1ccccc1N(C(=O)Cc1cccc(C#N)c1)C(C)C 1125895258 YPBNHULSTOLEHZ-UHFFFAOYSA-N 292.382 3.851 30 20 CHED C=C(CNC(=O)C[C@@H](C)c1ccco1)c1ccccc1 1129587724 MEOZFQDCBNGCKL-CYBMUJFWSA-N 269.344 3.603 30 20 CHED CC[C@@]1(C)CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 1136968788 UKXOPQXJASTWIX-MJGOQNOKSA-N 298.430 3.798 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccnc(C#N)c2)C1 1162626349 QZZLYCUSRWXVBF-PXAZEXFGSA-N 281.334 3.680 30 20 CHED N#Cc1cc(Cl)cc(OCCc2noc3ccccc23)c1 1166279506 PTCUXZILNJUTNO-UHFFFAOYSA-N 298.729 3.974 30 20 CHED Cc1nsc(Nc2cccc(CN3CCCC3)c2)c1C#N 1176195331 WJUCECZCUBFTGE-UHFFFAOYSA-N 298.415 3.663 30 20 CHED Cc1ccc2sc(N(C)[C@@H](C)CC#N)nc2c1C 1185602857 IGOLBTVMRYJABO-JTQLQIEISA-N 259.378 3.652 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1cnc(Cl)cc1C#N 1262797461 OMFKGXYKHJLUEM-WDEREUQCSA-N 291.782 3.762 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 1274125285 YCFNTQPMLMAZRA-ARFHVFGLSA-N 297.402 3.807 30 20 CHED CSCc1ccc(NC(=O)CC#Cc2ccccc2)cc1 1319212284 HGMXVSLFKYQRLH-UHFFFAOYSA-N 295.407 3.930 30 20 CHED CN(Cc1cccc2ccccc12)c1cccc(CC#N)n1 1320655684 DILHQWPUGYMAIA-UHFFFAOYSA-N 287.366 3.937 30 20 CHED CCCCCCCCNC(=O)[C@H](C)Cc1c(C)n[nH]c1C 1323008044 YTPIXVRLQFMMMX-CYBMUJFWSA-N 293.455 3.682 30 20 CHED Cc1nc(COC(=O)CC2(C#N)CCCCC2)c(C)s1 1329531547 LRRZALFOERCTNO-UHFFFAOYSA-N 292.404 3.667 30 20 CHED FC(F)(F)c1cccnc1NN=Cc1cccn1C1CC1 1330722513 ZHDALLQBRMIOPW-UHFFFAOYSA-N 294.280 3.683 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1CC[C@H](C)[C@@H]1C 1343680368 WQECMEWCILXBHE-KBPBESRZSA-N 286.423 3.523 30 20 CHED Cc1cccnc1CSCCCC1(C#N)CCOCC1 1344519530 RERMTVPVVIRGKC-UHFFFAOYSA-N 290.432 3.724 30 20 CHED CCCC(CCC)C(=O)O[C@H](CC#N)c1ccco1 1344938008 UWAIBSILZZJRDI-CQSZACIVSA-N 263.337 3.994 30 20 CHED C=C(CC(C)C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 1346580240 MVSMVNDLCZXPQS-DLBZAZTESA-N 287.403 3.625 30 20 CHED N#C[C@H](C(=O)c1ccc2c(c1)CCC=C2)c1cccc(F)n1 1347201835 AHPJSBMYDSQCNS-HNNXBMFYSA-N 292.313 3.670 30 20 CHED C[C@@H](NN=Cc1c(Cl)cccc1N(C)C)C(C)(C)C 1347530183 XLTZEZGPJWXYPK-LLVKDONJSA-N 281.831 3.764 30 20 CHED CC[C@H](CN(CC)c1ncccc1C#N)c1ccccc1 1458327722 CNLAJGACQIDCAU-OAHLLOKOSA-N 279.387 3.973 30 20 CHED N#C[C@@H]1CCCN(C/C=C/c2ccc(Cl)cc2)C1 1473781611 RYFBHTIKNVTEQB-YOUVMVQBSA-N 260.768 3.589 30 20 CHED C=C(CC)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 1520145891 KGXCHUHUJPLJGX-KBPBESRZSA-N 270.376 3.580 30 20 CHED C=C(CC(C)C)C(=O)Nc1ncc(C2CCOCC2)s1 1521646656 RICSLJPPKDBMKW-UHFFFAOYSA-N 294.420 3.578 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC=CC23CCCC3)c1 1526851827 HFWYMCRLGOCYJP-UHFFFAOYSA-N 281.359 3.583 30 20 CHED N#CC[C@H](OC(=O)CC1=CCCCC1)c1ccco1 1526993710 WKHLBWFLFJVYBW-AWEZNQCLSA-N 259.305 3.668 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2ccc(C#N)cc2)C1 1536347661 VFTRFIRNIACYNB-CQSZACIVSA-N 270.376 3.504 30 20 CHED CN(C(=O)c1cc(C#N)ccc1F)C(C)(C)c1ccccc1 1586734515 OQJXRMWHNRPRAJ-UHFFFAOYSA-N 296.345 3.705 30 20 CHED C=C(C)c1cccc(NC(=O)c2cc(C(=O)O)oc2C)c1 1588605891 QLTAFBRQIWNKHI-UHFFFAOYSA-N 285.299 3.572 30 20 CHED C=CC[C@@H](C(=O)O)N1C[C@H](c2ccccc2)c2ccccc21 1588729468 QUANKIANLFWLRB-AEFFLSMTSA-N 293.366 3.668 30 20 CHED Cc1ccc([C@H](C)N(C)c2ncc(C#N)cc2F)c(C)c1 1611849150 AAAUVKUQYFANGP-ZDUSSCGKSA-N 283.350 3.907 30 20 CHED N#Cc1cccnc1Sc1ccc(Cl)c(F)c1 1640127119 PAOQRWKILVLRPQ-UHFFFAOYSA-N 264.712 3.897 30 20 CHED CCc1nc(C#N)cc(N[C@@H](CC)c2ccc(C)cc2)n1 1650803873 QAWDNFCSQDJRNA-HNNXBMFYSA-N 280.375 3.782 30 20 CHED CO[C@H](COc1ccc(C#N)c(C)c1)Cc1ccccc1 1652813454 HKLGFGSITDCRHV-SFHVURJKSA-N 281.355 3.503 30 20 CHED CC(C)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(F)c1 1659457852 IPDFBSVAMJNQKT-HOCLYGCPSA-N 260.356 3.612 30 20 CHED N#Cc1ccc(CNc2ccc(-c3ccon3)cc2)cc1 1663337499 HBTYPAOGIYNQHT-UHFFFAOYSA-N 275.311 3.825 30 20 CHED Cc1cc(NC(=O)N[C@H](C)CCCC(C)C)ncc1C#N 1673532214 LECQYNKKUJMFLW-CYBMUJFWSA-N 288.395 3.598 30 20 CHED CC(C)c1ccccc1NC(=O)COc1ccc(C#N)cc1 5673322 RHCIGBUZXGGXIB-UHFFFAOYSA-N 294.354 3.699 30 20 CHED Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 15682908 CQKQLOKHZURYHC-CQSZACIVSA-N 294.354 3.581 30 20 CHED N#Cc1ccc(NCc2ccc(Br)cc2)cc1 19950668 OTWVDFUAGPPWRQ-UHFFFAOYSA-N 287.160 3.933 30 20 CHED CC(C)[C@H](CNC(=O)C1(C#N)CCCC1)c1ccccc1 27629356 VVZDSWARJYLEIP-INIZCTEOSA-N 284.403 3.626 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1ccc(C#N)cc1 31776371 KAAWZDZYTGIVCV-UHFFFAOYSA-N 280.327 3.598 30 20 CHED Cc1cc(C)c2c(c1)/C(=N/Nc1cccc(Cl)c1)C(=O)N2 44060249 XXHQUGMVSGWBAG-UHFFFAOYSA-N 299.761 3.725 30 20 CHED C#Cc1cccc(NCc2nc(-c3ccc(C)cc3)no2)c1 44073592 IOHZZOAQPHNOCQ-UHFFFAOYSA-N 289.338 3.638 30 20 CHED N#Cc1cccc(CN2CCC(c3ccccc3)CC2)c1 45548434 HOGKQUQHXBDHQW-UHFFFAOYSA-N 276.383 3.938 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(F)ccc2F)c1 55722822 NOMZHBDECHXGTB-UHFFFAOYSA-N 289.281 3.782 30 20 CHED CC(C)(CC(=O)NCc1cccc(C#N)c1)c1ccccc1 67036528 IUDPKEYDDYPOIH-UHFFFAOYSA-N 292.382 3.542 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCCC[C@H]1c1ccco1 76511529 GKNZQMDNIHJUJF-CABCVRRESA-N 291.391 3.705 30 20 CHED Cc1ccc(CNc2c(C#N)nnc3ccccc23)cc1F 77188097 NYSSGMVPVRJQPF-UHFFFAOYSA-N 292.317 3.561 30 20 CHED C=C(Cl)CNC(=O)N(CC)Cc1ccc(Cl)s1 77790918 PZLAHPIWAMPUNB-UHFFFAOYSA-N 293.219 3.686 30 20 CHED C[C@@](O)(CNc1c(Cl)cccc1C#N)c1ccccc1 78260763 SQYWCRQWCZEVOQ-MRXNPFEDSA-N 286.762 3.531 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCC1(C)C 78531447 XFKRRJKJJLGGHT-CQSZACIVSA-N 271.364 3.567 30 20 CHED Cc1cccc(C(=O)/C=C/c2scnc2C)c1C 78694456 QGAIXVWUTNMOQC-BQYQJAHWSA-N 257.358 3.964 30 20 CHED C[C@@H](C1CC1)N(CCCSCC#N)Cc1ccccc1 80627120 MIBGFSNVWZDNPI-HNNXBMFYSA-N 288.460 3.934 30 20 CHED N#Cc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 84138519 QLFZCHDWGCVWHP-UHFFFAOYSA-N 282.309 3.723 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)c1ccc2ccccc2c1 84709951 IEUQFICSWSDRMP-LRDDRELGSA-N 267.328 3.789 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)cn1 90665509 FDTQQSIENHQDOV-SUMWQHHRSA-N 283.350 3.916 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)CC2CCCC2)cc1 92667253 NMZCEXIAWUIUHJ-CQSZACIVSA-N 272.392 3.599 30 20 CHED CCC(CC)CN(CCC#N)Cc1sccc1OC 93100991 YGASKJWGSOJIMH-UHFFFAOYSA-N 280.437 3.909 30 20 CHED COc1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1O 97292614 JJJRAVUDAOIJDJ-SOFGYWHQSA-N 293.322 3.778 30 20 CHED C=CCCC(=O)N(CC=C)Cc1ccc(Cl)s1 102220294 OMBAFSGSLDPRKV-UHFFFAOYSA-N 269.797 3.882 30 20 CHED N#CCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 103468836 BUXIPMJPHQHKPH-UHFFFAOYSA-N 289.766 3.574 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(C#N)cc1 104773071 KEAJUGPIELCAOJ-KRWDZBQOSA-N 291.354 3.676 30 20 CHED CN(CCC#N)C(=S)Nc1ccccc1-c1ccccc1 107451407 PPQUXAKRFPMEKI-UHFFFAOYSA-N 295.411 3.896 30 20 CHED C[C@H]1Cc2ccccc2N(Cc2ccc(C#N)cc2)C1 109586532 MYGHOYOJDOGHIB-AWEZNQCLSA-N 262.356 3.757 30 20 CHED Cc1ccc(CNc2ccc(OCC#N)cc2)cc1F 110974719 YWYRRRODMAONFA-UHFFFAOYSA-N 270.307 3.649 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 112204188 PFHXQLDKMYGIDJ-NEPJUHHUSA-N 290.329 3.506 30 20 CHED COc1ccc(C)cc1COc1ccc(C#N)c(F)c1 113649706 YVADJWPYRGQDGF-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccnc2)c1 113952600 VTJRPCGJRLUUIL-YOEHRIQHSA-N 295.386 3.613 30 20 CHED C[C@@](C#N)(c1ccc(Br)cc1)C1CC1 114351596 LKBDTZLABVUDEA-LBPRGKRZSA-N 250.139 3.640 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1C 116996362 VZCOJEJRSCTNHD-SNVBAGLBSA-N 252.745 3.735 30 20 CHED CC(C)(C#N)CCCN1CCOC2(CCCCCC2)C1 119476817 HUMKDXLWMMJXLF-UHFFFAOYSA-N 278.440 3.742 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Cl)c(F)c1 122903339 MCQQIJYXTCDOBZ-UHFFFAOYSA-N 255.720 3.517 30 20 CHED C=CCn1c(C)nn(CN(CCCC)[C@@H](C)CC)c1=S 123698157 HGIOCVJJPSCABX-ZDUSSCGKSA-N 296.484 3.767 30 20 CHED CCc1nnc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C#N)c1CC 124882581 UNWXDLXOZNWWCR-BFQNTYOBSA-N 286.423 3.710 30 20 CHED CCc1ccsc1C(=O)Nc1ccc(F)cc1C#N 126499320 OOEWXXAWJIVKQK-UHFFFAOYSA-N 274.320 3.574 30 20 CHED CCN(CCC#N)Cc1ccc(OC(F)F)c(Cl)c1 127683958 XUPPWZHTZJQYDF-UHFFFAOYSA-N 288.725 3.677 30 20 CHED C[C@H]1CC[C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)O1 128512402 OPVWLGIQENUUQJ-CABZTGNLSA-N 284.281 3.556 30 20 CHED COc1ccc(C#N)cc1CN(C)c1ccc(C)cc1C 130450803 NKPBUYZMUASJGM-UHFFFAOYSA-N 280.371 3.820 30 20 CHED C=CCN(CCc1ccccc1)CCC(C)(C)C#N 131329213 ZZBJYCNFXRHENF-UHFFFAOYSA-N 256.393 3.657 30 20 CHED C[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 133994727 MQKCUNVLGCOANX-WWGRRREGSA-N 270.376 3.562 30 20 CHED C[C@H]1C[C@@H](C)N(c2ccc(C#N)cc2Br)C1 135516769 GUZWUDPSIFUYJV-VHSXEESVSA-N 279.181 3.555 30 20 CHED N#Cc1ccsc1NC(=O)c1cc2cccc(F)c2o1 152020643 GNHYSMGKDUSIIG-UHFFFAOYSA-N 286.287 3.757 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCc3ccccc32)CC1 153028155 HLPYGULQCVUZFS-IBGZPJMESA-N 284.447 3.694 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 153913528 JPWYXCINJXAERM-CKLFPEKLSA-N 284.186 3.788 30 20 CHED CCC1(CNC(=O)CCc2ccc(C#N)cc2)CCCC1 154613005 GNTVBBDWZGKVHJ-UHFFFAOYSA-N 284.403 3.577 30 20 CHED C[C@@H](CNC(=O)C1(C#N)CCCCC1)Cc1cccs1 156378441 BHLXUXOSRGEVHP-CYBMUJFWSA-N 290.432 3.517 30 20 CHED COc1cc(C#N)ccc1OCc1cccc(F)c1Cl 157915313 DCEJCHRKTGHBET-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC1(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 162633673 UUTVTASIGXULCC-VIFPVBQESA-N 290.775 3.926 30 20 CHED CCN(C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C#N)cc1 174079510 ZQBMUPRQHCHQMF-XHSDSOJGSA-N 282.387 3.737 30 20 CHED CCSCC[C@H](C)N(C)C(=O)Nc1ccc(C#N)cc1 174310376 CJHMTNBHQVIIKS-LBPRGKRZSA-N 291.420 3.554 30 20 CHED C=CCSCCNC(=O)[C@H](C)c1ccc(Cl)s1 175916228 QJFGDKPXNNSRLX-SECBINFHSA-N 289.853 3.540 30 20 CHED COCc1cccc(/C=C2\Cc3ccc(F)cc3C2=O)c1 176411851 SQQVRJHJCMDUOU-OVCLIPMQSA-N 282.314 3.795 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 176475687 LKIWVSBLLWQKEU-CABCVRRESA-N 272.392 3.562 30 20 CHED CC[C@@H](Cc1ccccc1)NCc1ccc(C#N)s1 176961951 WZGFGMONJSSPNE-AWEZNQCLSA-N 270.401 3.731 30 20 CHED C#CCCCNC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 177108964 PHUDFDDLJPQEFS-AWEZNQCLSA-N 297.320 3.729 30 20 CHED CCCC1(CNC(=O)Nc2cc(C#N)ccc2C)CC1 177813436 PHOUBTPAKVEKAJ-UHFFFAOYSA-N 271.364 3.569 30 20 CHED CC[C@H](C)N(C(=O)c1cccc(C#N)c1)[C@@H](C)CC 180520213 UMWCPAZFEGYHPU-STQMWFEESA-N 258.365 3.597 30 20 CHED C[C@@H]1CC(NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H](C)C1 181040508 BPOGYQVWJKHRGA-KBPBESRZSA-N 296.414 3.796 30 20 CHED C[C@H](N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(C#N)cc1 181846983 COXGSNYYBRAMGG-QGTPRVQTSA-N 294.402 3.589 30 20 CHED C[C@@H](Nc1ccc2c(c1)COC2)c1cccc(C#N)c1 183294098 DPBWOKKQQVOLQG-GFCCVEGCSA-N 264.328 3.762 30 20 CHED C[C@@H](c1cccnc1)N(C)Cc1ccc(O[C@H](C)C#N)cc1 183729593 NDZDJQKJLUGSSY-CABCVRRESA-N 295.386 3.565 30 20 CHED COc1ccccc1/C(C)=C/C(=O)OCC1(C#N)CCCC1 183835754 FKKYJQASWMMUCW-SDNWHVSQSA-N 299.370 3.726 30 20 CHED N#CC1(COC(=O)c2ccc(-c3ccccc3F)o2)CCC1 183911689 RCCRDYCCOUIGFJ-UHFFFAOYSA-N 299.301 3.936 30 20 CHED C[C@H]1CC(Nc2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 184128738 GMBXFEHKCORSIA-UWVGGRQHSA-N 298.308 3.945 30 20 CHED CC#CCCCC(=O)N(C)Cc1cc(Cl)ccc1OC 184931097 BHLGQPRMQPYGEG-UHFFFAOYSA-N 293.794 3.501 30 20 CHED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)c1cccs1 185831976 FCXMMLCMJKSULQ-CHWSQXEVSA-N 262.422 3.698 30 20 CHED C[C@@]1(Cc2ccccc2)CCCN1CCCSCC#N 186036354 CALWJYUZRHBHCO-KRWDZBQOSA-N 288.460 3.730 30 20 CHED C=C(C)[C@H](N[C@H](C)C1CC1)c1ccc(F)c(F)c1 186446583 JOKXIZZNWCODNY-BMIGLBTASA-N 251.320 3.970 30 20 CHED N#CCN[C@H](CC1CC1)c1cc(F)cc(Br)c1 188183170 OFVAEYAJJNFZNO-CYBMUJFWSA-N 297.171 3.543 30 20 CHED CCCCCCCC[S@@](=O)Cc1nc(C(C)C)no1 190762098 JXHWBAIFMCLWCQ-LJQANCHMSA-N 286.441 3.802 30 20 CHED N#C[C@H](C(=O)C1(c2ccccc2)CCCC1)c1ccccn1 193388456 YCAZLFXFHHJMSV-INIZCTEOSA-N 290.366 3.770 30 20 CHED N#CCCN(Cc1cccnc1)Cc1cc(Cl)cs1 194301492 JEZOTADALQGKKK-UHFFFAOYSA-N 291.807 3.712 30 20 CHED N#Cc1cc(NCc2ncc(Cl)s2)ccc1Cl 229170814 FURDCMPFJAVXFR-UHFFFAOYSA-N 284.171 3.934 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCc1ccc(N(C)CCC#N)cc1 237405655 ZHTOFBVCRYADGO-HZPDHXFCSA-N 299.462 3.951 30 20 CHED C=C[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 237434514 LBHQNWYIRJLDIW-LLVKDONJSA-N 288.372 3.987 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1OCCCC 248181114 YRCKTRLNKMDBBG-CQSZACIVSA-N 291.391 3.785 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@H](C)c2ccccn2)cc1 248582129 FMZBMVLQVAQFDO-LSDHHAIUSA-N 295.386 3.565 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccccc1 255168581 WFDXQPAHKOFHSV-SREVYHEPSA-N 260.239 3.567 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)/C=C\c2ccc(Cl)cc2)C1 255317978 XTFCBWPPPRPWRS-WLGFFRLASA-N 275.735 3.589 30 20 CHED N#C[C@@H](COC(=O)/C=C\c1ccccc1)Cc1ccccc1 255358624 XICNPEAICDCZGQ-JYBLJSLWSA-N 291.350 3.625 30 20 CHED CCOc1ccc(O)c(/C=N\CC[C@H](OCC)C(C)C)c1 255569176 IKLOTQIHMNONFT-KMTKGMGQSA-N 293.407 3.661 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc2sccc2c1 268478043 KSKLEXPSBXSEAN-OAHLLOKOSA-N 272.373 3.569 30 20 CHED C#CC[C@H](NC(=O)N(CC)CCCC)c1ccccc1 270499241 YPPXHYGSVADEIV-INIZCTEOSA-N 272.392 3.583 30 20 CHED C#CCCCSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 270828005 IJXDPFZJVTXQCJ-JSGCOSHPSA-N 277.437 3.843 30 20 CHED COCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccco1 272531016 JCVSLPJLFXQWEH-XJKSGUPXSA-N 284.359 3.580 30 20 CHED C#CCC(C)(C)C(=O)OCc1csc(C(C)(C)C)n1 274344827 MLOMHZSTYSQMFD-UHFFFAOYSA-N 279.405 3.533 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(SC)c1C 276083250 LOMHKMZYFGPGDL-UHFFFAOYSA-N 264.394 3.757 30 20 CHED C=CCCN(C)Cc1ccc(CSC(F)F)o1 276108095 HHNJMKCJSPWFIE-UHFFFAOYSA-N 261.337 3.743 30 20 CHED C=CC[C@@H]1N(C(=O)CCc2nccs2)CCCC1(C)C 278316906 HNYOQMIFDXTOIW-ZDUSSCGKSA-N 292.448 3.669 30 20 CHED CC[C@H](NCC[C@H]1CCO[C@@H](C)C1)c1ccc(C#N)cc1 278693459 KNWMMAZVZQTHQH-MPGHIAIKSA-N 286.419 3.804 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(SC(F)F)c1 278818222 ZXZNDCJSKLLNPO-UHFFFAOYSA-N 284.331 3.880 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccc(C)cc1O 280803926 LCWYMSDLSMPKHE-ZVZYQTTQSA-N 289.419 3.723 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)oc2C)cc1OC(C)C 281149823 VDRUKSZJNZRNBW-UHFFFAOYSA-N 298.342 3.808 30 20 CHED C=CC[C@@H](CC)NC(=O)CSc1ccc(F)c(F)c1 281340913 LLRFGTSMIITBOC-SNVBAGLBSA-N 285.359 3.528 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](CCC#N)c1ccccc1 281819557 JAUMLKUDWRAHHB-HZPDHXFCSA-N 285.391 3.685 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 285029255 IFAZFSCFISEDJI-RDTXWAMCSA-N 286.419 3.799 30 20 CHED CCCCN(CC)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 285251133 UQWWNDHOHOBPED-UHFFFAOYSA-N 290.382 3.624 30 20 CHED CC[C@H](C)CCC(=O)N[C@@H](CCC#N)c1ccccc1 285664295 DLZQMMNHINIROT-HOCLYGCPSA-N 272.392 3.974 30 20 CHED C=CCC[C@H](NCCC(OCC)OCC)c1ccco1 287412673 JRBDZZSEYOXIQF-AWEZNQCLSA-N 281.396 3.666 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C1CC1)C(F)(F)F)c1ccccc1 288705320 XEMYDILZQIAKMQ-ABAIWWIYSA-N 297.320 3.803 30 20 CHED CC(C)(C#N)CC(=O)N1CCC(C)(C)c2ccccc21 288865896 GJKXLYVDYCGZOB-UHFFFAOYSA-N 270.376 3.641 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@@H](CC)c1cccc(OC)c1 290192897 UDBSWLUEAKKJHS-INIZCTEOSA-N 287.403 3.654 30 20 CHED C=C[C@](C)(CC)C(=O)N1Cc2cccc(Cl)c2C1 290531968 OECBUJAVPFTRIS-OAHLLOKOSA-N 263.768 3.785 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1c1cccc(C)c1 292788406 CIHZNKRUJPQAHD-KRWDZBQOSA-N 296.418 3.813 30 20 CHED CC(=O)c1cccc(CN(CCC#N)CCC(C)C)c1 295105917 USEJHUXNOMMUFE-UHFFFAOYSA-N 272.392 3.651 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C(C)C)c(O)cc1C 295480792 JFFUDAWKWLCCHO-UHFFFAOYSA-N 261.365 3.975 30 20 CHED N#Cc1ccc(N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 301359326 ZSQLRXRAZFQGHN-MRXNPFEDSA-N 280.346 3.766 30 20 CHED CC(C)Oc1cccc([C@@H](C)Nc2ccc(C#N)nc2)c1 301525648 PNHZZJFNLVRYNZ-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C=CCCC[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl 302003685 JXWCLWYORGKYKT-VIFPVBQESA-N 269.732 3.800 30 20 CHED CCC[C@H](C)[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 302201238 SAUPMUCQGGFNKJ-SWLSCSKDSA-N 287.363 3.871 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](CC(C)C)C1 307778566 ROPOPEXACNHHRL-MRXNPFEDSA-N 256.393 3.735 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2c(C)cccc2C)c1 308140673 SHCJPHDSDMIFMA-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)cc1Cl)C1CCC1 322933247 KVBOXQSNUULGBO-UHFFFAOYSA-N 276.767 3.976 30 20 CHED O/C(=N/Cc1ccc(O)cc1)N1CCCC12CCCCC2 328807810 CWJRWAOTFDJQRH-UHFFFAOYSA-N 288.391 3.605 30 20 CHED CC1(C)C(O)=Nc2cc(/C(O)=N/[C@@H]3CC[C@H](F)C3)ccc21 329087184 HGGYFYIVNQQYDN-WDEREUQCSA-N 290.338 3.761 30 20 CHED CC1=C(C(O)=Nc2ncn(C3CCCCC3)n2)CCC1 329764465 VTBDALFJHLAMRA-UHFFFAOYSA-N 274.368 3.872 30 20 CHED C[C@H](/C(O)=N/[C@@H]1CCSc2ccccc21)c1cncnc1 330237999 ASKAXPPLRWAURY-SMDDNHRTSA-N 299.399 3.774 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/CC2CCCC2)s1 330924961 UMVQHDLYHLOZPS-SNVBAGLBSA-N 282.409 3.735 30 20 CHED Cc1[nH]c2ccc(/C(O)=N/[C@H](C)CC(C)(C)O)cc2c1C 331342656 YUMOTDKGZWKXAM-SNVBAGLBSA-N 288.391 3.639 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C2CCCC2)C1 333628209 AOYGBYKNMQQRIT-MRXNPFEDSA-N 297.402 3.911 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc(C(F)(F)F)cc2)no1 334657454 WYMDRJPERZRLAG-OQPBUACISA-N 293.248 3.557 30 20 CHED Cc1nc(NCc2ccc(F)cc2F)c(Cl)cc1C#N 336831217 IYINRPGZMKFNKJ-UHFFFAOYSA-N 293.704 3.805 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc2c(c1)CCC2 337757938 MZTIXFXCSFFSBT-UHFFFAOYSA-N 276.339 3.608 30 20 CHED N#Cc1cscc1C(=O)N[C@H]1CCC[C@H]1c1ccccc1 340197581 KNKVHTPBZVXDEN-HOCLYGCPSA-N 296.395 3.686 30 20 CHED N#Cc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)ccc1F 341170742 AEPULCDGIBONNT-QGZVFWFLSA-N 294.329 3.578 30 20 CHED CC(C)(CCC#N)CNC/C=C\c1ccc(F)cc1F 342280302 FOWMJVWLZDMOFT-HYXAFXHYSA-N 278.346 3.898 30 20 CHED COc1ccc(F)cc1NCc1ccc(CC#N)cc1 342559535 BFMDOPDVVAYOQA-UHFFFAOYSA-N 270.307 3.512 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cccc(Nc2ccccc2)c1 345028929 MIGVVZMBFIQEBD-AWEZNQCLSA-N 293.370 3.804 30 20 CHED N#Cc1cccc(OCCN2Cc3cccc(Cl)c3C2)c1 347406298 ASKUDKZBYRANBF-UHFFFAOYSA-N 298.773 3.606 30 20 CHED N#Cc1cccc(CNC(=O)c2ccc3sccc3c2)c1 348510039 OXOWGWAXIJUYLI-UHFFFAOYSA-N 292.363 3.703 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 351380369 DMRRJQPLSCWVMW-UHFFFAOYSA-N 294.326 3.552 30 20 CHED CCN(Cc1cccc(C#N)c1F)[C@H](C)c1cccc(O)c1 352870307 PTJRQRLTAAFHOK-CYBMUJFWSA-N 298.361 3.986 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1ccccn1 352905809 ZSITWHFVLMMRQF-INIZCTEOSA-N 298.434 3.998 30 20 CHED N#Cc1ncccc1NCC1(c2cccc(Cl)c2)CC1 357543481 WUTNTLYTZYCRAK-UHFFFAOYSA-N 283.762 3.750 30 20 CHED C=CCN(C(=O)Nc1cccc(N(C)C(C)C)c1)C1CC1 357884302 XKQLBHRGEDLFAO-UHFFFAOYSA-N 287.407 3.714 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(NC(C)=O)cc1 358424086 HRVBEBRGDRHLKO-CQSZACIVSA-N 274.408 3.870 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1CCC(F)(F)C1 358929647 HWKYCUNEPJAGTQ-NSHDSACASA-N 285.359 3.698 30 20 CHED N#CCCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 359988978 ZQXZKLPMRGVEHL-UHFFFAOYSA-N 276.339 3.890 30 20 CHED C[C@H](C(=O)Nc1nc(C2CC2)cs1)c1cccc(C#N)c1 360003880 VQGWVIRYGWOHAJ-JTQLQIEISA-N 297.383 3.634 30 20 CHED N#Cc1ccc(CN(CCCc2ccncc2)C2CC2)cc1 360442831 DKQLPAKDEJICMK-UHFFFAOYSA-N 291.398 3.550 30 20 CHED N#CCCCC(=O)Nc1ccc2c(Cl)cccc2n1 360625901 CHNUCUSSVVEFRY-UHFFFAOYSA-N 273.723 3.521 30 20 CHED Cc1cccnc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 361994457 AUYSVRKIBPCZPJ-IEBWSBKVSA-N 291.398 3.662 30 20 CHED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)CCC 362979494 HBBFGQDQWWXKIQ-CQSZACIVSA-N 295.386 3.558 30 20 CHED Cc1ccc(-c2n[nH]cc2CNCC(C)(C)CCC#N)cc1 367962551 MIXBLEFEBINUKU-UHFFFAOYSA-N 296.418 3.805 30 20 CHED Cc1cncc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 375541177 MOTDHHOPVLCWDF-MOPGFXCFSA-N 291.398 3.662 30 20 CHED C=C(C)CNC1(c2ccc(Br)cc2)CCC1 381254694 QLCVNBLGMVOVAC-UHFFFAOYSA-N 280.209 3.994 30 20 CHED C#CCCCN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 382339636 XWVXXHQYCBRFTB-KBAYOESNSA-N 255.405 3.962 30 20 CHED C[C@@H](C#N)OCCN[C@@H](C)c1ccc(Cl)cc1Cl 385553538 QYQONFRQOVHYGD-UWVGGRQHSA-N 287.190 3.573 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCC(CC#N)CC1 397246218 UJXMQXXLZYEJQV-OAHLLOKOSA-N 264.413 3.601 30 20 CHED CC(C)O[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 404697041 SWGXECDBUCHBMI-AWEZNQCLSA-N 278.783 3.605 30 20 CHED CC(C)Cc1ccc(CCCC(=O)N(C)[C@@H](C)C#N)cc1 410881647 DNAMTKFTUXMHQT-HNNXBMFYSA-N 286.419 3.578 30 20 CHED CCN(Cc1ccc(CC#N)cc1)Cc1occc1C 412027642 QCXQQYUNDXMLOT-UHFFFAOYSA-N 268.360 3.676 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ncc(C#N)cc2F)c1 413061496 BVGRDWKMKWNFFH-INIZCTEOSA-N 281.334 3.742 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC(C)(CC)C1 413842901 YTTMFAIINIXIPQ-INIZCTEOSA-N 286.419 3.615 30 20 CHED Cc1occc1CNc1cc(C#N)ccc1OC(C)C 414428233 KDJCVJGQSTXDAO-UHFFFAOYSA-N 270.332 3.859 30 20 CHED CCc1c(C)sc(NC(=O)c2ccc(C)c(C)n2)c1C#N 415124112 NVHRKKHUNWPDCN-UHFFFAOYSA-N 299.399 3.755 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416109969 RKTJEYFMCZYXKR-OGHNNQOOSA-N 284.403 3.734 30 20 CHED N#CC1(CNC(=O)c2occc2-c2ccc(F)cc2)CCC1 416344337 BTUHWHJMZOTZBB-UHFFFAOYSA-N 298.317 3.509 30 20 CHED C=C(C)CN(C)C(=O)Nc1nc2c(s1)CC(C)(C)CC2 417654243 CEOPLARNXDIVRM-UHFFFAOYSA-N 293.436 3.698 30 20 CHED COc1cc(Cl)c(CN[C@@H]2CC[C@H](C#N)C2)cc1Cl 424209057 YXSQFNUIJKAWBD-GXSJLCMTSA-N 299.201 3.784 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1sc(CC)nc1C 424804185 ZMWJZBDZMMQVKI-UHFFFAOYSA-N 252.383 3.555 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C(=C)C 424872219 CFPXSKGWGYWXQH-INIZCTEOSA-N 271.404 3.892 30 20 CHED CC(C)C(C)(C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425637892 MFMYFXHJGJPSEV-CYBMUJFWSA-N 272.392 3.760 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@H](SC)C(C)(C)C 426220920 VHRQSSRYVDCFFG-STQMWFEESA-N 284.469 3.514 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnn(Cc2ccc(F)cc2)c1 426542076 CXNZGJYGTQBHSZ-GOSISDBHSA-N 299.393 3.611 30 20 CHED C=CCCCCNC(=O)c1cnn(CC)c1-c1ccccc1 427353233 XFYUEFGNUWNAFW-UHFFFAOYSA-N 297.402 3.656 30 20 CHED N#CCC1(CNC2CC(c3ccc(Cl)cc3)C2)CC1 430730691 SFMMKLKNXDOEQD-UHFFFAOYSA-N 274.795 3.869 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc(C)c(F)c1 432553419 JIVJGFOJRHIBKL-UHFFFAOYSA-N 278.371 3.536 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OC)c2ncccc12 432895295 VSUZGAIGLKRLGV-UHFFFAOYSA-N 284.359 3.784 30 20 CHED Cc1cc([C@@H](C)N=c2ccc(Cl)c(C#N)[nH]2)ccc1F 433612182 JKULUHPHSZBJQW-SNVBAGLBSA-N 289.741 3.649 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnc([C@H](C)CC)nc1 434530537 NWOAGCJSWWKTLE-OLZOCXBDSA-N 290.411 3.856 30 20 CHED N#Cc1cccc(CN(CC2CC2)c2ccccc2)c1 437530777 WPNFVWVVAGKHLO-UHFFFAOYSA-N 262.356 3.975 30 20 CHED C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C 437577353 JVPBTSVYUJUNME-BETUJISGSA-N 297.320 3.525 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2cncc(F)c2)CCCC1(C)C 439617590 METYSMGTIPEPNO-AWEZNQCLSA-N 291.370 3.819 30 20 CHED COCCN(CCCCC(C)(C)C#N)[C@H]1CC[C@H](C)C1 444700270 GBSGTPRWEIPVPT-HOTGVXAUSA-N 280.456 3.843 30 20 CHED CC1(C)CCCN(CCCc2ccsc2)[C@@H]1C#N 444728967 LWMOZWMNGFCDIY-CQSZACIVSA-N 262.422 3.695 30 20 CHED CC[C@@H](NCCOc1ccc(F)cc1)c1ccc(C#N)cc1 447546732 YLARYHGJRYPFEB-GOSISDBHSA-N 298.361 3.817 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 448561185 FBJBFORPIULLOI-UHFFFAOYSA-N 273.254 3.736 30 20 CHED C[C@H](CCc1ccc(O)cc1)NC1CCC(C)(C#N)CC1 449129507 VJABAKYKLUKNKC-MXWWQKGMSA-N 286.419 3.775 30 20 CHED C=CCC[C@H](C)N[C@H]1C[C@H](c2cccc(OC)c2)C1 449620982 XRIBDVAYNROTLP-BPUTZDHNSA-N 259.393 3.886 30 20 CHED CC(C)=CCC[C@H](C)NCc1ccc(C#N)c(F)c1 449737228 QPBAZUUIWQBRLF-ZDUSSCGKSA-N 260.356 3.922 30 20 CHED CC(C)CC(CC(C)C)C(=O)N[C@@H](C#N)C(C)(C)C 450116786 RXKPJAAEBMKFPV-AWEZNQCLSA-N 266.429 3.749 30 20 CHED Cc1cc(C#N)cc(N2CC(c3cccc(Cl)c3)C2)n1 450827646 KIXQAFWADDCANI-UHFFFAOYSA-N 283.762 3.519 30 20 CHED C=CC[C@H](C(=O)N[C@H](CC)C(F)F)c1ccccc1 452265469 PFLVEFVBCSPZFB-QWHCGFSZSA-N 267.319 3.506 30 20 CHED C=C(C)CCNC(=O)c1cc2cc(C)c(C)cc2o1 452717607 MLOXJCMSPLBPTB-UHFFFAOYSA-N 257.333 3.746 30 20 CHED C=CCCc1noc(-c2sc(C)nc2CC(C)C)n1 453227390 FNSBFFUHYCVRFI-UHFFFAOYSA-N 277.393 3.819 30 20 CHED C=CCCc1noc([C@@H](C)Oc2ccc(C)cc2)n1 453248347 QFNLNOAFSYSZPZ-GFCCVEGCSA-N 258.321 3.637 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1C(C)C 454168404 OJTBFTFHZALXHX-CVEARBPZSA-N 288.391 3.665 30 20 CHED C=C(CC)CNC(=O)Nc1cc(F)ccc1OC(F)F 454971053 VYJUYQRDCADHDW-UHFFFAOYSA-N 288.269 3.515 30 20 CHED C=C(CNC(=O)N1CC[C@H](CC2CC2)C1)c1ccccc1 458770636 XXCMWTSXOPLCLK-MRXNPFEDSA-N 284.403 3.531 30 20 CHED CC1(C)[C@@H](CNCc2ccc(C#N)o2)[C@@H]1c1ccccc1 459713462 NYJDDIPLRLVTAX-IRXDYDNUSA-N 280.371 3.681 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N(CC#N)c1ccccc1 460067270 RIMXMKISNKINHC-LLVKDONJSA-N 284.281 3.522 30 20 CHED Cc1nc(N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c(Cl)cc1C#N 461951521 YATGTNYTVMCXIM-NUEKZKHPSA-N 295.773 3.665 30 20 CHED C=C[C@@H](C)NC(=O)CCCCOc1cc(C)ccc1C 465104533 SRINBMWXGMLGKW-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C=CCCCCNC(=O)CCc1ccc(Cl)s1 471673129 CDERNYXEYWEMJG-UHFFFAOYSA-N 271.813 3.807 30 20 CHED C=CCCCCNC(=O)[C@H](Cc1ccccc1)C(C)C 471717603 ZNRSSTRPXDGTCP-QGZVFWFLSA-N 273.420 3.974 30 20 CHED CC(C)Cc1ccc(CCCC(=O)N2CC(C)(C#N)C2)cc1 482584017 PLJVGYAXEMMYAT-UHFFFAOYSA-N 298.430 3.580 30 20 CHED N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)cc1F 483977552 PRCMMUSBBKVCIT-KRWDZBQOSA-N 294.373 3.762 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1OCC 488362264 XUIIUOMCLQKCLG-ZDUSSCGKSA-N 292.354 3.797 30 20 CHED C=C(CN[C@H]1CS[C@H](C(C)C)C1)c1ccccc1 488435029 QYIHAVMMIWYBDF-CVEARBPZSA-N 261.434 3.820 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccccc1)C1CCCC1 488543830 KTENAANCIKQBKC-INIZCTEOSA-N 272.392 3.793 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)c1ccc(F)c(C)c1 488769714 YUWDDWYVWFLYJH-CYBMUJFWSA-N 286.350 3.613 30 20 CHED CCC(CC)NN=C1CCC(NC(=O)OC(C)(C)C)CC1 494064347 GDKDQYJREGJHCV-UHFFFAOYSA-N 297.443 3.588 30 20 CHED C=CCC(C)(C)C(=O)NCC1(Cc2ccc(F)cc2)CC1 497357140 LGWXIQLJZSGJED-UHFFFAOYSA-N 289.394 3.867 30 20 CHED CC#CCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 498997126 SCLVNIHVHPRNKU-UHFFFAOYSA-N 295.169 3.618 30 20 CHED N#Cc1cccc(N2CCC[C@H]2/C=C\c2ccccc2)n1 503290370 ZOQNVXMHMURYLT-CPFIRTDXSA-N 275.355 3.635 30 20 CHED CCC(CC)CNCCSCc1ccccc1C#N 508342741 WBJXPVPFBFBJFV-UHFFFAOYSA-N 276.449 3.817 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc2c1CCCC2 509030401 NOXGQIAEXVTASZ-UHFFFAOYSA-N 290.366 3.998 30 20 CHED Cc1cccnc1[C@H](NCc1cccc(C#N)c1F)C(C)C 512457914 WLIDDOHYTMFBET-QGZVFWFLSA-N 297.377 3.888 30 20 CHED C=C(CNC(=O)N1Cc2ccc(C)cc2C1)c1ccccc1 512677082 HIVLZUSUCSNXDO-UHFFFAOYSA-N 292.382 3.734 30 20 CHED CCCN(CCCC(C)(C)C#N)CCN1CCCCC1 513133315 GMXWEJBMSBBKHD-UHFFFAOYSA-N 279.472 3.514 30 20 CHED Cc1ccccc1CCC(=O)Nc1scc(C)c1C#N 517778930 KTBAIAVOHZPUOY-UHFFFAOYSA-N 284.384 3.808 30 20 CHED CC(C)(C)c1nc(CSc2ccc(C#N)cc2F)no1 524988013 CDDOOYPMAKPFQN-UHFFFAOYSA-N 291.351 3.670 30 20 CHED CC#CCN(C)[C@H](C)c1cccc(C(F)(F)F)c1 525119544 NENRYJHBCJPYAF-LLVKDONJSA-N 255.283 3.722 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1cccc(C)c1C 529418798 QFHORIAZKCXMCI-UHFFFAOYSA-N 272.392 3.592 30 20 CHED CCCCN(C(=O)[C@@H](C)C#N)[C@H](C)c1ccccc1 531061224 OTFYRTMHYJZPPY-UONOGXRCSA-N 258.365 3.536 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@H]1C1CCCCC1)OCC 535123567 RPIDGGYJDUSVPO-DLBZAZTESA-N 293.451 3.929 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCCC(C)(C)C2)C1 535888912 QBGFHUUJUMEXRM-JKIFEVAISA-N 276.424 3.791 30 20 CHED C=CCN[C@H](COc1ccccc1F)c1ccccc1 538169057 BXUCPUWZNUQXCL-MRXNPFEDSA-N 271.335 3.721 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(C#N)c1 540895299 UWZFRAUBQLITLE-UGSOOPFHSA-N 290.366 3.612 30 20 CHED C=CCN(C(=O)N[C@H]1c2ccccc2CC[C@@H]1C)C1CC1 540921564 YYRBNQYHMLTKRT-SUMWQHHRSA-N 284.403 3.670 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cc(C#N)ccc1OCCOC 541533940 LGLRBGXPTYSMPP-ZIAGYGMSSA-N 288.391 3.596 30 20 CHED C=CCC[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 541743065 CHBOZXDKLALRMR-ACJLOTCBSA-N 287.403 3.853 30 20 CHED C=CC[C@H](C)N[C@@H](c1ccc(F)cc1)c1ccccn1 542496379 NVAHQSVVJXZKPN-GUYCJALGSA-N 270.351 3.864 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCOC2(CCCCC2)C1 544591571 IAZHEDCSCAFNQZ-LSDHHAIUSA-N 251.414 3.813 30 20 CHED C=CCCCCNC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 546027164 VRXMAPVXVXAVSK-GXTWGEPZSA-N 276.380 3.559 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(COc2ccccc2C#N)n1 547102484 DDJQLACMDNIHLD-OCCSQVGLSA-N 297.358 3.814 30 20 CHED C=CCCCc1nc(-c2cccc3cnccc23)no1 547204455 WFNXRUHUCCAGBR-UHFFFAOYSA-N 265.316 3.794 30 20 CHED N#Cc1csc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 552292547 XMKNPFCGZAUHGS-CTYIDZIISA-N 286.375 3.795 30 20 CHED C=CCCCc1nc(-c2ccc(COCC)cc2)no1 555094260 KHSOTTWXKJKONG-UHFFFAOYSA-N 272.348 3.782 30 20 CHED N#Cc1cc(N2CCC[C@H]2C2CCCCC2)ccn1 561129356 JKLWCPHMHRMGGX-INIZCTEOSA-N 255.365 3.502 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@H](O)C(C)(C)C 561781556 AUCUCQDFLFDSOQ-LBPRGKRZSA-N 287.856 3.797 30 20 CHED Cc1cc2cc(NC(=O)[C@]3(C#N)CC34CCCC4)ccc2[nH]1 562635890 HUHXKUWOADHGMW-GOSISDBHSA-N 293.370 3.889 30 20 CHED CC1(C)C[C@H](Nc2cccnc2C#N)c2ccccc21 565337489 UTGIRQIOIMXSSZ-HNNXBMFYSA-N 263.344 3.788 30 20 CHED CC[C@@H](CC#N)N[C@H](C)c1nc2ccccc2n1C(F)F 565843033 WUPFOZMSVZMVBP-MNOVXSKESA-N 292.333 3.774 30 20 CHED N#CC1(CNC(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 568245928 XUXUIJKQCLVOEB-INIZCTEOSA-N 297.402 3.521 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC(C)=C(C)C1 569769810 MAZBNXCIIUMMRI-LBPRGKRZSA-N 274.412 3.524 30 20 CHED Cc1ccc(Br)cc1NC[C@@H](C#N)CCC#N 572870964 PAHUMSFFAGQFPZ-LLVKDONJSA-N 292.180 3.613 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccc(C#N)cc1 573332109 MMLDVAZACGQASW-RHSMWYFYSA-N 298.430 3.774 30 20 CHED CC(C)CCOc1ccccc1CNc1cccnc1C#N 578475616 YFSSHVGDBZVFDW-UHFFFAOYSA-N 295.386 3.990 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC[C@@H](C#N)CCC#N 583867356 DERAXYDUADJZTQ-ZIAGYGMSSA-N 298.415 3.936 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H](C)C2CCC2)cc1 584121232 FWHBRFLBYYGEJA-SUMWQHHRSA-N 284.403 3.708 30 20 CHED C[C@@H]1CN(c2ccnc(C#N)c2)CC[C@H]1c1ccccc1 587985905 AZVOGWWGSBJDFO-RDTXWAMCSA-N 277.371 3.583 30 20 CHED C[C@@H]1CN(C(=O)CCCCCC#N)c2ccccc2S1 588941592 ANGHGPBYPLYIBI-CYBMUJFWSA-N 288.416 3.988 30 20 CHED C[C@@H](CCC#N)Sc1ncc(-c2ccccc2)[nH]1 591124893 OOQHHVXKUJWCDX-NSHDSACASA-N 257.362 3.861 30 20 CHED N#CCCCCCc1nc(C2(c3ccccc3F)CC2)no1 591456037 FTIJXUMUZFDJMR-UHFFFAOYSA-N 299.349 3.915 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 594002340 NJDWYFGLPOFRBY-GRDNDAEWSA-N 284.403 3.526 30 20 CHED CC[C@@H](NCCc1ncc(C)cc1C)c1ccc(C#N)cc1 594508110 AXJRCHVACOSQDJ-GOSISDBHSA-N 293.414 3.854 30 20 CHED N#Cc1ccc(CCN2CCC[C@@H](CC(F)(F)F)C2)cc1 595548875 AYHWTDFXZFTMQW-HNNXBMFYSA-N 296.336 3.765 30 20 CHED CCN(Cc1ccc(Cl)c2cccnc12)[C@H](C)C#N 595814291 SRYSNWDXCHIIPK-LLVKDONJSA-N 273.767 3.622 30 20 CHED CCOc1ccccc1NC(=O)CC1(C#N)CCCCC1 596702055 OWGFRVNYNNTNPT-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)CC1(C#N)CCCCC1 597811562 GOXNOZJZCATUSJ-UONOGXRCSA-N 276.424 3.791 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(Oc2ccccc2)o1)C1CC1 598131134 KGPADSTXHXIDTP-GFCCVEGCSA-N 296.326 3.589 30 20 CHED C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(C2CC2)c1 598619885 XZEDYYWZHYERMD-GUYCJALGSA-N 286.419 3.515 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2ccccc2CC#N)C1 601261427 QHYICFZTNRETHX-SFHVURJKSA-N 284.403 3.795 30 20 CHED C[C@H](NC(=O)c1ccccc1CC#N)[C@@H]1CCC[C@@H](C)C1 601620435 JBTUHCUSGSEHCN-IJEWVQPXSA-N 284.403 3.697 30 20 CHED N#Cc1cccc(CN2CC3(CCC3)[C@@H]2c2ccccc2)n1 602677172 WCGGLMFXLXOYLX-SFHVURJKSA-N 289.382 3.680 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(C)c1cccc(C#N)c1 604439162 UXUXAGJNOSBDBH-DZGCQCFKSA-N 270.376 3.737 30 20 CHED C=CCCCSc1nncn1-c1cccc(Cl)c1 605076576 NHMTXKJHGPJFPL-UHFFFAOYSA-N 279.796 3.979 30 20 CHED C[C@@H](CN(C)c1cccc(F)c1C#N)c1ccccc1 608974337 RJWGVMPMUGZTCV-ZDUSSCGKSA-N 268.335 3.937 30 20 CHED COc1ccc2c(c1)CCCN(Cc1cccc(C#N)c1)C2 609133855 CLLWFNNPYRRVBD-UHFFFAOYSA-N 292.382 3.515 30 20 CHED Cc1ccc2c(c1)N(CCOc1ccccc1C#N)CCC2 609540683 CCYOTKSRNICOEF-UHFFFAOYSA-N 292.382 3.698 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)C1CCCC1 610520782 UITOEPYVTQOJFL-HNNXBMFYSA-N 296.414 3.899 30 20 CHED C[C@@]1(CN[C@H]2CCCc3cc(C#N)ccc32)CCCS1 611393299 AUECPHKELCYKKR-IRXDYDNUSA-N 286.444 3.811 30 20 CHED CC(C)(C#N)CNC(=O)c1cc2c(Cl)cccc2s1 611688223 PTUXESQCNFLGCX-UHFFFAOYSA-N 292.791 3.834 30 20 CHED CCc1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc1C 612319187 FHVZTUYUUCKBRX-KRWDZBQOSA-N 285.391 3.715 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2occc2-c2ccccc2)C1 612365961 CAAAYGQQTNLDQP-GOSISDBHSA-N 294.354 3.712 30 20 CHED C[C@H](NCc1ccc(Cl)cc1C#N)c1cccc(C#N)c1 614178847 FYOIJYIKJGSFNR-LBPRGKRZSA-N 295.773 3.934 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H](CC)C(C)C)C1 617784079 MWLKAJAMWLNKAZ-HUUCEWRRSA-N 251.414 3.873 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)OC2CCCC2)C1 617784570 ULMZJNPNJUVQGL-GDBMZVCRSA-N 279.424 3.539 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(F)cc(F)c1 618742283 VUVDMKLLNBFNBP-KRWDZBQOSA-N 284.309 3.614 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1scnc1C1CC1 618742437 YQIMGQXOPGYXEX-OAHLLOKOSA-N 295.411 3.669 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1oc(C)nc1C 618903915 IYNUIYBUKNXLPW-UHFFFAOYSA-N 283.375 3.575 30 20 CHED COc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 619748888 XFWGOINAWAYLMR-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C=CCCOCC(=O)N(CC)[C@H](CC)c1ccccc1 620327810 CUCPDVVCWNLVNP-MRXNPFEDSA-N 275.392 3.579 30 20 CHED C=CCC1(C(=O)N2CCCC(F)(F)C2)CCCCC1 650313548 INQKNOOUBHRCPX-UHFFFAOYSA-N 271.351 3.771 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2OCC)C1 665174671 OUPJPBBPQJGFAY-CQSZACIVSA-N 288.391 3.905 30 20 CHED C=CCC[C@H](CC)Nc1ccc2ccn(C)c(=O)c2c1 671303309 KOOMWILWOHPVFR-AWEZNQCLSA-N 270.376 3.695 30 20 CHED C=CCCCCNC(=O)C1(c2ccc(F)cc2)CCC1 681145948 JEPNDJRRSUFZBE-UHFFFAOYSA-N 275.367 3.720 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)CCOCc1ccccc1 695864675 NSMOVOBRGCSBNY-CVEARBPZSA-N 288.435 3.900 30 20 CHED CCCCCCCN[C@@H]1CCCC12CCOCC2 703765889 QRMYZHPHOIAYIN-OAHLLOKOSA-N 253.430 3.896 30 20 CHED C[C@@H](CC1CCCC1)NCc1ccc(C#N)c(F)c1 709763470 BZPFBXFPKFWEQP-LBPRGKRZSA-N 260.356 3.756 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2C)cc1F 725803776 PUDLUSBXQYDDHQ-UHFFFAOYSA-N 272.323 3.897 30 20 CHED C#CCNC(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 726523303 OIXJNFFUIMMOBL-UHFFFAOYSA-N 289.787 3.740 30 20 CHED CCCC(=NNC1CCCC1)c1cccc([N+](=O)[O-])c1 727652599 SYSUYUJVMBGSPO-UHFFFAOYSA-N 275.352 3.631 30 20 CHED CCCCCCCSc1n[nH]c(-c2cccnc2)n1 728161679 QGDIXXWEZATWAJ-UHFFFAOYSA-N 276.409 3.929 30 20 CHED CCCC[C@@H](CCC)OC(=O)COc1ccccc1C#N 730295341 RKMZZOIISJBODG-OAHLLOKOSA-N 289.375 3.839 30 20 CHED Oc1ccccc1/C=N/C[C@H]1CCc2ccccc21 731938517 UDCNPQQUUMPHOZ-CRRKTRLDSA-N 251.329 3.541 30 20 CHED Cc1ccccc1C=NOCCCOc1ccc(C#N)cc1 732193627 SCXQHPZJGPFEPE-UHFFFAOYSA-N 294.354 3.686 30 20 CHED C=CCNC(=O)c1ccc(NC2CCCCCCC2)nc1 732912925 QUJGUMGHHCGEBM-UHFFFAOYSA-N 287.407 3.522 30 20 CHED C=CCCC(=O)Nc1sc2c(c1C(=O)O)CCCCC2 736097738 PWXLOXMUOKKUAO-UHFFFAOYSA-N 293.388 3.620 30 20 CHED CC(C)CN(CCC#N)C(=O)CCc1cc(Cl)cs1 736553967 JGPUKBPIRFCXKS-UHFFFAOYSA-N 298.839 3.732 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1 737442381 AIDQNDKKQWFLSF-YVMONPNESA-N 285.318 3.906 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCSCCCC)c1 739550079 AUXYOBSVFLDFIO-UHFFFAOYSA-N 289.444 3.944 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)C2CCCCC2)c1 741466139 FWICUIFQDMJTNO-OOIIIRTPSA-N 261.365 3.789 30 20 CHED CCC(=NNc1c(F)cccc1F)c1c(C)nn(C)c1C 741842776 LWQLARKMLZLJGY-UHFFFAOYSA-N 292.333 3.541 30 20 CHED C/C(=C/C(=O)N[C@@](C)(C#N)C1CCCCC1)C(C)(C)C 742676131 HEEXTATYFMPTTH-MOJYJUKOSA-N 276.424 3.958 30 20 CHED C1CCC(/N=C2/NN=C(C3CCCC3)CS2)CC1 743277430 QLWXVBGTDUXJLV-UHFFFAOYSA-N 265.426 3.558 30 20 CHED Cc1ncsc1C=NNc1cccc2c1CCCC2 743438679 OXKGFRCGIKPKQF-UHFFFAOYSA-N 271.389 3.776 30 20 CHED C=C(C)COC(=O)c1sc2ccc(OC)cc2c1C 744041051 PFXOLFHGYHDWHU-UHFFFAOYSA-N 276.357 3.951 30 20 CHED C[C@H](C(=O)OCc1ccccc1C#N)c1cccc(F)c1 744088923 RBKKMIUDAKJURV-LBPRGKRZSA-N 283.302 3.544 30 20 CHED N#CCC1(COC(=O)CCc2cccc(Cl)c2)CC1 744279622 VWPACHSSDQBDLB-UHFFFAOYSA-N 277.751 3.510 30 20 CHED CC#CCOC(=O)c1ccccc1OCc1cccs1 744973978 CFKXBLKKSDHDCZ-UHFFFAOYSA-N 286.352 3.507 30 20 CHED Cc1ccc(C)c(NN=Cc2cc(C#N)cs2)c1 748076139 MTGFUHDJCNKNIM-UHFFFAOYSA-N 255.346 3.683 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)c[nH]1)c1ccc2ccccc2c1 748222977 LGEKVXDPXQNJGU-GFCCVEGCSA-N 290.322 3.958 30 20 CHED C=CCCCC(=O)OCc1cc(-c2ccc(F)cc2)no1 748234845 HYVBNXWWVDMHCX-UHFFFAOYSA-N 289.306 3.880 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNc1nc(-c2ccncc2)no1 748248379 DTJOAKNCKGUVPN-NSHDSACASA-N 299.378 3.746 30 20 CHED CCC(C)(C)CC(=O)O[C@H](C)c1ccc(C#N)cc1 748678034 XYZVLUQWDKOKEO-GFCCVEGCSA-N 259.349 3.989 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cscc1C 748905188 GFMQSPSUGFZKIP-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C=CCSCCNC(=O)/C=C(/C)c1cccc(Cl)c1 749934649 NDPIMCBYDIHNGS-BENRWUELSA-N 295.835 3.779 30 20 CHED C=C(C)COc1ccc2c(C(C)C)cc(=O)oc2c1 750002532 IVIKEUFKMOVTNE-UHFFFAOYSA-N 258.317 3.871 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccccc1C1CC1 751032341 PLPFFDYFJVODIM-KHPPLWFESA-N 280.371 3.810 30 20 CHED CCCc1ccc(OC(=O)Cc2ccc(C#N)cc2)cc1 752233118 IONPQXWPDXNUPC-UHFFFAOYSA-N 279.339 3.659 30 20 CHED C=C(Cl)CN1CCN(C2CCC(C(C)C)CC2)CC1 753386826 FDNUXRJQSPQOEH-UHFFFAOYSA-N 284.875 3.571 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 753414460 ZNXGSJICJUSSIH-DGCLKSJQSA-N 296.370 3.752 30 20 CHED C=C(Cl)CN[C@H](c1ccccc1)c1ccc(F)cn1 753680798 XCGJFJCDLQPOLD-OAHLLOKOSA-N 276.742 3.652 30 20 CHED C#CCOCCN[C@H](c1cccc(C(F)(F)F)c1)C(C)C 753771020 USNHGLAJFPXRIV-HNNXBMFYSA-N 299.336 3.642 30 20 CHED CC(C)(C)SCCCC(=O)OCc1cccc(C#N)c1 754279419 LNNRVSBBNNYTKU-UHFFFAOYSA-N 291.416 3.913 30 20 CHED C=C(C)[C@@H](CC(=O)NC1CCCCCCC1)OCC 755386226 QWKUFUWQDDEPBA-OAHLLOKOSA-N 267.413 3.587 30 20 CHED C=CCSCCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21 756684534 YMAZZUATYVUWKJ-CMPLNLGQSA-N 281.396 3.588 30 20 CHED C#CCCCC(=O)Oc1c(C)cc(Cl)cc1C 757792468 PZIAUOMEKRGLDQ-UHFFFAOYSA-N 250.725 3.666 30 20 CHED N#Cc1cc(COC(=O)/C=C\c2ccccc2F)ccc1F 758926199 PLBMKSIBZBTCLW-VURMDHGXSA-N 299.276 3.593 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC(CC)CC)c1 759183865 MUVFELRRDICEAO-UHFFFAOYSA-N 257.377 3.847 30 20 CHED COc1ccccc1CON=C(C)c1ccc2c(c1)CCO2 759635892 CSGQZYDEGJEJSD-UHFFFAOYSA-N 297.354 3.571 30 20 CHED CCc1ccc(C=NOCc2ccnc(Cl)c2)cc1 760415712 BKOMXWMZLDLXFJ-UHFFFAOYSA-N 274.751 3.848 30 20 CHED CCCCNN=C(C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 761262042 VRSMZCBWBZAJTJ-GFCCVEGCSA-N 277.368 3.539 30 20 CHED COc1cc(F)ccc1NN=C/C=C\c1ccco1 761885608 VPTLLJCPFIGKIT-KCLRZSDESA-N 260.268 3.538 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccc(C#N)s1 762450465 VRQKSMBNOWREHR-UHFFFAOYSA-N 289.791 3.787 30 20 CHED C=CCN(C(=O)N[C@H]1c2ccccc2CC[C@H]1C)C(C)C 763093405 XQJYUTKCWMRYHH-RHSMWYFYSA-N 286.419 3.916 30 20 CHED CCC[C@@H](C(=O)OCc1ccc(C#N)cc1)C(C)C 763857619 RWSHJTMNVUELDU-OAHLLOKOSA-N 259.349 3.674 30 20 CHED CCO[C@@H]1CC(=NOCC(F)(F)F)C1(CC)CC 764847209 ULUNJBIIIKKLHB-SNVBAGLBSA-N 267.291 3.537 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccc(C)c(F)c2)c1 769727285 FBGFQGBWXHBHKW-ODLFYWEKSA-N 287.334 3.858 30 20 CHED CCCCCCCCCn1cc(C(=O)OC)nc1C 771586259 QTZYKXFYIVDMKH-UHFFFAOYSA-N 266.385 3.729 30 20 CHED Cc1cc(F)ccc1C(=O)O[C@H](C)c1cccc(C#N)c1 771598735 YSGZWBVDQXWANM-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C#C[C@@H](C)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 772977820 YRFJADSBXNJYIH-MZHSRFCDSA-N 273.420 3.511 30 20 CHED O=C1/C(=C\c2cccc(F)c2)CCc2ccc([N+](=O)[O-])cc21 773149380 KCXIIQNKORSBBP-JYRVWZFOSA-N 297.285 3.946 30 20 CHED C#CCCCCC(=O)Nc1ccc(OCC)c(OCC)c1 773179563 DCGCMEYDVRHCEG-UHFFFAOYSA-N 289.375 3.616 30 20 CHED C=C(CC)COC(=O)c1cc(Br)ccc1F 773475611 ACSZYEFIKANDLR-UHFFFAOYSA-N 287.128 3.711 30 20 CHED CCCn1cc(N[C@H](CC)c2ccc(C#N)cc2)cn1 774302938 MOJURTKLOXARKN-MRXNPFEDSA-N 268.364 3.728 30 20 CHED N#Cc1cccc(COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1F 774887662 GLDLQKWEGYBWRB-SLEUVZQESA-N 287.334 3.567 30 20 CHED CC[C@H](NCCCCC#N)c1cc(Cl)ccc1O 775498219 IWNPJPTZDIPFSH-ZDUSSCGKSA-N 266.772 3.780 30 20 CHED C[C@@H](C(=O)OCC1(C#N)CC1)c1ccccc1C(F)(F)F 775860550 UQBTXACHNSMRIM-SNVBAGLBSA-N 297.276 3.656 30 20 CHED C=CCCC[C@H](C)NC(=O)/C=C\c1ccc(OC)cc1 775924107 HFQDZVFRLWORIG-ZVHGMHCTSA-N 273.376 3.569 30 20 CHED C#CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 776168251 ANXOGLNCCBSFOD-DNVCBOLYSA-N 274.367 3.973 30 20 CHED N#C[C@@H](OC(=O)/C=C/c1cccc(F)c1)C1CCCCC1 776362083 YQQHSFILGBVLFF-ZNFPLGDCSA-N 287.334 3.855 30 20 CHED Cc1ccc(F)cc1C(=O)O[C@H](C#N)C1CCCCC1 776370066 AYIKOHMRQKRLOL-OAHLLOKOSA-N 275.323 3.763 30 20 CHED CC(C)(C#N)CCOC(=O)C(C)(C)c1cccc(F)c1 776385182 CVHGKHMRFCWUEW-UHFFFAOYSA-N 277.339 3.586 30 20 CHED CCC(CC)n1nc(C)cc1C(=O)OCCC(C)(C)C#N 776399355 KOCGTKCDAZXMJY-UHFFFAOYSA-N 291.395 3.649 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(C#N)c(F)c1 776727258 UFXHTJVBMALMMR-HJWRWDBZSA-N 265.287 3.902 30 20 CHED C=CCSc1ccccc1C(=O)NCC(C)(C)SC 776854537 TVOBOCMJKZMJON-UHFFFAOYSA-N 295.473 3.836 30 20 CHED C=CC[C@@H](C(=O)OCc1c(C)noc1C)c1ccccc1 778430211 QYDNDAYKJLSTGP-OAHLLOKOSA-N 285.343 3.695 30 20 CHED Cc1cc(C=NNc2ccc(F)cn2)ccc1Cl 779777651 VDGMMUYHAWNCDH-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cnccn1 779824447 ARYLRLCBHLQQNE-UHFFFAOYSA-N 268.364 3.610 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 779890816 RQVDXDNQQIGQET-KRWDZBQOSA-N 299.414 3.595 30 20 CHED O=C1/C(=C/c2ccc3cnccc3c2)Oc2cc(O)ccc21 782324045 XGMTZPZNBWKTTD-IUXPMGMMSA-N 289.290 3.557 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)NCC1CCC1 782929965 ZMABIZSHWDUWBL-UHFFFAOYSA-N 288.391 3.506 30 20 CHED C=CCCCCCSC[C@@H]1CC2(CC2)C(=O)O1 783482890 YWAOHOFIOPVOKC-LBPRGKRZSA-N 254.395 3.562 30 20 CHED Cc1nc(Cl)cc(NN=C2CC[C@@H](C)C[C@@H]2C)n1 783850130 QABHCQSQABJUPA-BDAKNGLRSA-N 266.776 3.662 30 20 CHED C=CCCCCCOC(=O)C[C@@H]1CCO[C@H](CC)C1 784648845 NDWXYHIHLSLINO-HUUCEWRRSA-N 268.397 3.871 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccccc1OCC 785768949 MSSJALWTFVLFBX-INIZCTEOSA-N 262.349 3.731 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cc(C)nn2C)c(C)c1 789155881 GBEAOEQIPBEEKD-VOTSOKGWSA-N 268.360 3.550 30 20 CHED C=CCC1(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])CCC1 791561593 ZXWNIFVCRXZKSI-UHFFFAOYSA-N 293.294 3.524 30 20 CHED N#CC1(C(=O)OCc2cccc(C(F)F)c2)CCCC1 791764126 PVDBIBOWRPHCSF-UHFFFAOYSA-N 279.286 3.751 30 20 CHED CCc1cccnc1C(C)=NNCC1(C)CCCC1 793084411 OEKSYZZLNAZOCB-UHFFFAOYSA-N 259.397 3.538 30 20 CHED Cc1ccccc1C[C@@H](NCc1ccc(C#N)cc1)C1CC1 793524088 JTVLNOCSHKFMMO-HXUWFJFHSA-N 290.410 3.978 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCN(CC(F)(F)F)C1 793527653 ORGUFWYDTIEHTE-KBPBESRZSA-N 292.389 3.738 30 20 CHED C=CCCCCC[C@H](C)NCc1cccc(-n2cncn2)c1 793541134 MHXKJLYBINGIFT-INIZCTEOSA-N 298.434 3.882 30 20 CHED C#CCCCOc1c(Br)ccc(C)c1F 794725452 GWEFIYSMKYRYDM-UHFFFAOYSA-N 271.129 3.689 30 20 CHED C=CCNN=Cc1c(Cl)cccc1SC(C)C 794994704 WYEOUVGYUQYNOW-UHFFFAOYSA-N 268.813 3.950 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(N2CCCCC2)c1 795496512 FYAAZQGNNARJNE-QGZVFWFLSA-N 285.391 3.555 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc2nc(-c3ccccc3)oc2c1 796047663 YJFGYJQXBUCIFW-NSHDSACASA-N 292.294 3.564 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cccc(C(C)(C)C)c1 796759563 JUGQAXXJALSXMM-MRXNPFEDSA-N 259.349 3.829 30 20 CHED N#CC[C@@H](CC(=O)OCC1=CCCC1)c1ccccc1 796915591 DZBRHLXRDYEPRS-INIZCTEOSA-N 269.344 3.727 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1ccc(C)c(C)c1 796983545 IPLIHBZOLOYAEJ-SREVYHEPSA-N 284.311 3.579 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNc1nc(C)cc(C)n1 797398408 SACLNBKSYOEWQG-ZWNOBZJWSA-N 260.385 3.708 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C1CC1 797571024 KZRUPPACTFAUMZ-GXSJLCMTSA-N 276.405 3.663 30 20 CHED CC(C)(CC(=O)OCC1(C#N)CC1)CC(=O)c1ccccc1 799571439 OIYPPRULLKYZSL-UHFFFAOYSA-N 299.370 3.523 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(Cl)nc2)oc1C 799898452 ZNGYSTIGYRFUEK-HWKANZROSA-N 261.708 3.841 30 20 CHED CSC1(C=NNc2nccc3sccc23)CC1 800809992 DCMWKCLYOFDLNW-UHFFFAOYSA-N 263.391 3.590 30 20 CHED CCCc1ccc([C@@H](NCCO[C@H](C)C#N)C(C)C)cc1 801929832 VNRUOHQYEXXBKX-QAPCUYQASA-N 288.435 3.854 30 20 CHED CC[C@](C)(C#N)C(=O)OCCSc1ccc(Cl)cc1 803787302 VGGQHXLEFIXRDE-CQSZACIVSA-N 297.807 3.915 30 20 CHED C=CCCCCCCCCNC(=O)c1ocnc1C 807845454 ZWFSACSSUJQPRO-UHFFFAOYSA-N 264.369 3.630 30 20 CHED Cc1csc(NC(=O)/C=C/c2cccs2)c1C#N 809004116 JDYVVXRRQQAKEP-SNAWJCMRSA-N 274.370 3.642 30 20 CHED C[C@H]1/C(=C/c2ccc(O)cc2)C(=O)c2ccccc21 809159245 LQISQVOAEPHMLC-FFCYNSPCSA-N 250.297 3.776 30 20 CHED C[C@@H]1CCc2sc(C(=O)OC3(CC#N)CCC3)cc2C1 810857970 FCZVRBLJOFISFS-LLVKDONJSA-N 289.400 3.866 30 20 CHED OC[C@@H](NN=C1CCC2(CCCC2)CC1)c1ccccc1 811649243 FZACFEKGQHDTKY-QGZVFWFLSA-N 286.419 3.800 30 20 CHED FC(F)(F)c1ccc(C=NOC/C=C/Cl)s1 811669894 VYDWFZFZCRBAPX-QNVZSSGFSA-N 269.675 3.870 30 20 CHED CC(=NOC/C=C/Cl)c1c(Cl)cccc1[N+](=O)[O-] 811672429 YRAUKGGTAQJITP-LKDBHZJCSA-N 289.118 3.741 30 20 CHED CCCC[C@@H](C)N(C)C(=O)/C=C\c1ccccc1C#N 811958535 USJWBMMFCSFQCU-XMXAVACDSA-N 270.376 3.609 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813212187 ZDSDEZHMKJMAMZ-UMNHJUIQSA-N 298.308 3.959 30 20 CHED CCC(=NNc1cc(F)c(F)c(F)c1)c1ccco1 814864150 QWYYTEHMZSDWPF-UHFFFAOYSA-N 268.238 3.923 30 20 CHED C=CCCC(CCC)=Nn1cc(Br)cn1 814884070 BMGRMUFFFSZAPG-UHFFFAOYSA-N 270.174 3.616 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](CC)CSc1ccccc1 815867105 BEAPFZLEVVSIKR-GFCCVEGCSA-N 299.386 3.885 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1CC(C2CCCCC2)C1 819009756 OLVKXCBMTSEXEK-ZHACJKMWSA-N 294.398 3.610 30 20 CHED C=CCc1cccc(F)c1OC(=O)OC1CCC1 819885361 AHKXWKUOFHRNRA-UHFFFAOYSA-N 250.269 3.622 30 20 CHED C=CCCNC(=O)Nc1ccc(N(C)CCCC)cc1 820958951 AHVOUSBIHHSNNN-UHFFFAOYSA-N 275.396 3.621 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 823894416 PNWREMRLFRFFER-KGLIPLIRSA-N 299.422 3.652 30 20 CHED C=CCCCC[C@H](C)N[C@H](CCO)c1cccs1 823911150 BWLDHECEOXOGFI-UONOGXRCSA-N 267.438 3.896 30 20 CHED CC(C)C[C@@H](C)OC(=O)Oc1cccc(CC#N)c1 831268769 ALBUWTLCWBMMNZ-GFCCVEGCSA-N 261.321 3.703 30 20 CHED C=CCCCCNc1ccc(O[C@H]2CCOC2)cc1 834555023 JYVVZVJOJKNVQL-INIZCTEOSA-N 261.365 3.623 30 20 CHED C#CCCc1noc(-c2ccc([C@@H](C)C(F)(F)F)cc2)n1 834585827 UITWRWSQXMXNLX-SNVBAGLBSA-N 294.276 3.968 30 20 CHED c1ccc2c(NN=C3CCCC34CCC4)nncc2c1 834920699 NBYLPEVOVHROTG-UHFFFAOYSA-N 266.348 3.752 30 20 CHED CC(=NNc1c(C)cccc1Cl)[C@@H]1CCCOC1 835012369 ZBCRKSHFJINXGX-GFCCVEGCSA-N 266.772 3.863 30 20 CHED CCn1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c2ccccc21 839046007 ZOEXLHAMAZBDHN-KGLIPLIRSA-N 296.370 3.900 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839061428 CZVAPUDFOKCZCT-ZIAGYGMSSA-N 286.375 3.753 30 20 CHED C[C@H]1CC(C)(C)CN1Cc1cc(Cl)ccc1OCC#N 839661524 XNRYSVXALXVSIV-LBPRGKRZSA-N 292.810 3.863 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Oc1cccc(OCC#N)c1 841344527 XUNHGDFSSXXLPC-CZUORRHYSA-N 287.359 3.711 30 20 CHED C[C@]1(C=NN2Cc3ccccc3C2=O)C[C@@H]1c1ccccc1 841634803 YWKDZSJAQDQQRI-IEBWSBKVSA-N 290.366 3.822 30 20 CHED C#Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 841894818 WIPLXIOFHFVGEC-FQEVSTJZSA-N 286.378 3.707 30 20 CHED C=C(C)CONC(=O)Nc1ccccc1C(C)(C)C 844482174 LTIXROSLADDFEJ-UHFFFAOYSA-N 262.353 3.613 30 20 CHED C=CCCCC(=O)OCCc1ccc2ccccc2n1 845659485 OPARQLMNAITMOQ-UHFFFAOYSA-N 269.344 3.677 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1cccnc1Cl 846928046 YNAZKMHQCZAHBY-UHFFFAOYSA-N 283.762 3.559 30 20 CHED C=CCC1(C(=O)O[C@@H]2C[C@H](C)C(=O)C(C)(C)C2)CCC1 847937569 AWAKPOGVFAPJLB-QWHCGFSZSA-N 278.392 3.670 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)Cc1csc(C)n1 851142541 SPTFTUSFJUDNCZ-TZMCWYRMSA-N 279.405 3.672 30 20 CHED Cc1ccc(NN=Cc2c(C3CC3)cnn2C)c(Cl)c1 853355114 HEEFQKLYBAHTRU-UHFFFAOYSA-N 288.782 3.705 30 20 CHED COc1cccc(C=NN2CCCC[C@@H]2C)c1OC(F)F 853380006 SJKBVIALEPWXHJ-NSHDSACASA-N 298.333 3.505 30 20 CHED Cc1cc(C)cc(CC(=O)OCCCC(C)(C)C#N)c1 853952879 FAHOTECYUICJOQ-UHFFFAOYSA-N 273.376 3.719 30 20 CHED CC(C)C#CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 854185709 HNJWLSRTZHBODU-UHFFFAOYSA-N 287.693 3.539 30 20 CHED C=CCN(C(=O)/C=C/c1ccc(Cl)nc1)C(C)(C)C 857650937 LQHNLPYJLWTBRR-VQHVLOKHSA-N 278.783 3.561 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@H](C)c1ccco1 860465176 GZTWJXVSNGHSHQ-LBPRGKRZSA-N 299.326 3.649 30 20 CHED CC[C@@H](C)c1ccc(C(C)=NNc2cccnn2)cc1 863094363 QWMFKOPBRVSCRF-GFCCVEGCSA-N 268.364 3.826 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OCCC)c(F)c1 863536088 LHYMTXNQGBKFQU-UHFFFAOYSA-N 277.339 3.603 30 20 CHED CN(C)c1cc(F)c(CNc2cccc(C#N)c2)cc1F 864031562 FZSMABNCLSJCLM-UHFFFAOYSA-N 287.313 3.515 30 20 CHED C=C1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 864253146 OSFKQJPDWNZZGP-UHFFFAOYSA-N 268.719 3.663 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(C(F)F)cc2)CC1 864266533 QXLAIQIGVBKZAJ-UHFFFAOYSA-N 278.302 3.501 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(F)c(F)c(F)c1F 880678933 SHARRTKONPYVER-ZETCQYMHSA-N 290.260 3.719 30 20 CHED CC(C)c1nc2ccccn2c1NC(=O)CCCCCC#N 887076632 QZFMTXYORATPDD-UHFFFAOYSA-N 298.390 3.870 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(C(=O)OC)c1Cl 891158151 ZJQWSPCYSVSCIC-UHFFFAOYSA-N 295.766 3.667 30 20 CHED C[C@H](CC#N)OC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 892690241 HOHWIBAHPJJMKO-SNVBAGLBSA-N 299.292 3.828 30 20 CHED N#Cc1c(Cl)nsc1Nc1cnn(C2CCCC2)c1 895887442 SCBMZHLRPZGJNP-UHFFFAOYSA-N 293.783 3.723 30 20 CHED C=C1CCC(C(=O)Nc2cnn(CCC)c2C2CC2)CC1 897884164 FCKBSXPXIJWGEW-UHFFFAOYSA-N 287.407 3.855 30 20 CHED CC[C@H](C)C[S@@](=O)CCCCC1(C#N)CCC1 899287425 UXRADGKVOICHCT-GUYCJALGSA-N 255.427 3.645 30 20 CHED C=CCCC[C@H](NCc1ccccc1C(C)C)C(=O)O 900068240 CJCGYKOKCZXLFA-INIZCTEOSA-N 275.392 3.709 30 20 CHED Cc1ccc(-c2ccccc2C=NNCC(C)(C)O)c(C)c1 901265792 FUWVDIHYZIWSEZ-UHFFFAOYSA-N 296.414 3.665 30 20 CHED CC(C)n1cncc1/C=C1\CCc2cc(F)ccc2C1=O 901481603 XBWISEZTOWLGEI-MDWZMJQESA-N 284.334 3.816 30 20 CHED CC[C@@H](NCc1ccn(C(C)C)n1)c1cccc(C#N)c1 902811688 CUBNOXQPVCLUBV-QGZVFWFLSA-N 282.391 3.577 30 20 CHED C=CCCCC(=O)Nc1c(F)cccc1NC(C)C 911931926 BVJRLXMXSMMCMU-UHFFFAOYSA-N 264.344 3.941 30 20 CHED C=CCOC(=O)CCCOc1ccc(Cl)cc1Cl 916593850 GOPNMTUTTGLDCJ-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C[C@H]1CCc2[nH]c3ccc(C(=O)OCCCC#N)cc3c2C1 916599150 ICDINCVEZFHWFY-LBPRGKRZSA-N 296.370 3.753 30 20 CHED C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCCCC#N 916599611 XHZMGDKZTMHCRZ-SNVBAGLBSA-N 283.780 3.668 30 20 CHED Cc1cccc(NN=Cc2cccc3c2OCCCO3)c1 917531068 SAOPWMWYFGFTRY-UHFFFAOYSA-N 282.343 3.602 30 20 CHED COc1ccc(CNN=Cc2ccc(C(C)C)cc2)cc1 917546910 GCNWCFBGIAZVQH-UHFFFAOYSA-N 282.387 3.942 30 20 CHED Cc1cc(C=NNc2nc3ccccc3s2)c(C)[nH]1 917562963 COTQMFIDKDPSJO-UHFFFAOYSA-N 270.361 3.687 30 20 CHED CCCCCCCOC(=O)c1cccnc1OCC 918860241 PGEBOJMYTPODOF-UHFFFAOYSA-N 265.353 3.608 30 20 CHED C=C(Br)CNC(=O)c1sccc1C(C)C 921042221 QUELPXSIOSUVQM-UHFFFAOYSA-N 288.210 3.510 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1cc(F)ccc1OC 922619725 IBLZPOQATLPIAR-QGZVFWFLSA-N 298.361 3.947 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H](C)c1ccc(F)cc1 924966220 XOQWDQCCFVFXHY-STQMWFEESA-N 262.372 3.847 30 20 CHED C=CCOc1ccccc1CN[C@H](C)CC(C)(C)C#N 925025975 BVRJSBCNKCIGLG-CQSZACIVSA-N 272.392 3.669 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(O)c(Cl)c1 935020852 LAHRUXFRSMHTGM-VIFPVBQESA-N 253.729 3.586 30 20 CHED Cc1cc(C)c(C(=O)N(c2cccc(C#N)c2)C2CCC2)o1 1119488155 UZJKEGGQPRDXPP-UHFFFAOYSA-N 294.354 3.967 30 20 CHED CCc1cccc(N(C)Cc2cccc(C#N)c2F)c1 1194922474 UUKCIZCBHXUCOH-UHFFFAOYSA-N 268.335 3.896 30 20 CHED Cc1cc(Cl)cc(C)c1CN1CCC[C@@H](C#N)C1 1237350546 OKKCUQWXVDXFJG-ZDUSSCGKSA-N 262.784 3.692 30 20 CHED C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N(CC)C(C)C 1262976238 CEFKMNZHWGLASU-CYBMUJFWSA-N 294.443 3.575 30 20 CHED C[C@H](CC#N)OC(=O)C1c2ccccc2Oc2ccccc21 1263292737 QYBKIZCVGNSOLP-GFCCVEGCSA-N 293.322 3.770 30 20 CHED C=C(C)Cn1c([C@@H](C)SC)nnc1N1CC[C@@H](CC)C1 1263327804 VMLJFUWGIKNFRY-CHWSQXEVSA-N 294.468 3.515 30 20 CHED C[C@H]1CC(NC(=O)[C@@H](CC#N)c2ccccc2)C[C@H](C)C1 1265331118 SGUFTPISOXVUFB-CPUCHLNUSA-N 284.403 3.625 30 20 CHED N#Cc1nnc2ccccc2c1Oc1ccc2cnccc2c1 1307214246 WNXUSWYCKWNJFQ-UHFFFAOYSA-N 298.305 3.842 30 20 CHED C=CCCC(=O)NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1318322617 VSHRSSKROCPKGR-QLFBSQMISA-N 251.414 3.777 30 20 CHED CCOCCON=CC1CCC(c2ccccc2)CC1 1322590778 WHSVCCKUXZUQEB-UHFFFAOYSA-N 275.392 3.999 30 20 CHED C[C@@H]1CCN(C(=O)CC#Cc2ccccc2)[C@@H]2CCCC[C@@H]12 1323870222 DOSANRGCXHUIGD-NZSAHSFTSA-N 295.426 3.855 30 20 CHED Cc1coc(C(=O)Nc2sc(C)c(C)c2C#N)c1C 1324051166 OILIEMUUBIWPGH-UHFFFAOYSA-N 274.345 3.699 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H]1CCCCC12CCCC2 1324277471 GWDJLIKWVYKAFO-MRXNPFEDSA-N 288.435 3.544 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Cn2cccc2)cc1 1325043576 YZNBVIOQNNJICT-UHFFFAOYSA-N 296.414 3.869 30 20 CHED C=C[C@H](COC)N[C@@H]1CCSc2cc(C)c(C)cc21 1325905642 YQDIUHDRPOAIAI-UKRRQHHQSA-N 277.433 3.631 30 20 CHED C#CC1CCN(C(=O)c2ccc(-c3ccccc3)s2)CC1 1326370232 JWEQUNGYLNSNKO-UHFFFAOYSA-N 295.407 3.901 30 20 CHED CCCCN(C(=O)CC#Cc1ccccc1)c1ccncc1 1332947002 QSOFAEUYPYDKLG-UHFFFAOYSA-N 292.382 3.657 30 20 CHED C[C@@H]1CCCC[C@@H]1Cc1nnc(-c2ccc(C#N)cc2)o1 1333058934 KQVBPOOTNUHOJH-IUODEOHRSA-N 281.359 3.977 30 20 CHED C=CC(C)(C)CC(=O)NCCc1coc(-c2ccccc2)n1 1333414294 RMBQPFDPICGZEZ-UHFFFAOYSA-N 298.386 3.603 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(C#N)cc2F)C1 1337304492 YZQJTYYJSHGIEJ-CYBMUJFWSA-N 288.366 3.596 30 20 CHED C=CCC(C)(C)C(=O)N(OC)[C@H](C)c1csc(C)n1 1344394764 YJCOVHZVIHGXGT-SNVBAGLBSA-N 282.409 3.505 30 20 CHED FC(F)CNN=CC1CCC(c2ccccc2)CC1 1344549544 PGZXPCSAERNRQG-UHFFFAOYSA-N 266.335 3.801 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1ccc(C(C)C)cc1 1346096779 URHFPWNSAOMISJ-OAHLLOKOSA-N 281.359 3.516 30 20 CHED C[C@@H]1C/C(=C/c2cccnc2N(C)C)C(=O)c2ccccc21 1346403638 WSEJSRNKFVXQSF-DKXRRRNBSA-N 292.382 3.921 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)c1c[nH]cc1C)c1cccs1 1346404970 XOQCQAAEOUUROY-FZMZJTMJSA-N 288.372 3.833 30 20 CHED CCc1cc(C#N)c(NC(=O)CCC2CCC2)s1 1351203975 JKMQLSYABAJPIS-UHFFFAOYSA-N 262.378 3.701 30 20 CHED Cc1nsc(Oc2cc(F)cc(Cl)c2)c1C#N 1472841485 KJFAGACFEGNODS-UHFFFAOYSA-N 268.700 3.908 30 20 CHED Cc1sccc1C(=O)Nc1ccc(C#N)cc1Cl 1518351620 ZHVYODKPYAFNAF-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 1528099371 CHCJSOYAGUXZCT-BBRMVZONSA-N 272.392 3.593 30 20 CHED CCC(C#N)(CC)C(=O)NCC[C@@H](C)CC(C)(C)C 1529049746 XTDSFLPRBWXWAF-CYBMUJFWSA-N 266.429 3.895 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 1532171189 FFAUKUFVKFLDFS-LRDDRELGSA-N 284.403 3.811 30 20 CHED CCN(C(=O)c1cccc2[nH]ccc12)c1ccc(C#N)cc1 1538804834 OSTCEMJTAKMCCJ-UHFFFAOYSA-N 289.338 3.706 30 20 CHED Cc1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)ccc1F 1584415137 JYGBAYZCCATWCR-CYBMUJFWSA-N 296.345 3.839 30 20 CHED C=CCCCN(CC)C(=O)Nc1ccc(C(=O)O)c(C)c1 1602722102 YMUFVEKBLJYVAX-UHFFFAOYSA-N 290.363 3.513 30 20 CHED N#Cc1c(F)cccc1SC[C@@H]1CCCC[C@@H]1C(=O)O 1608194440 PLAYIOIPVYTVOI-QWRGUYRKSA-N 293.363 3.680 30 20 CHED C=C(CNC(=O)NC[C@@H]1CCCC1(C)C)c1ccccc1 1635545586 FXPOFQNVMILFJK-INIZCTEOSA-N 286.419 3.825 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)n1 1642442208 YACWNCUMPUVQHZ-URLAMEQQSA-N 281.403 3.707 30 20 CHED CCCC[C@H]1CCC[C@@H]1Nc1ncc(C#N)cc1F 1651485219 NSSHXXJTWYVAHN-JSGCOSHPSA-N 261.344 3.863 30 20 CHED Cc1cc(N[C@H](C)c2cn(C(C)(C)C)nc2C)ncc1C#N 1655351230 NZGHUDGAYTUXMR-GFCCVEGCSA-N 297.406 3.695 30 20 CHED Cc1ccccc1SC[C@H](C)CN1CCC[C@H](C#N)C1 1655542099 RZLFTFXTDRGPPD-GDBMZVCRSA-N 288.460 3.959 30 20 CHED C=C(Br)CNC[C@@H]1CCCC(C)(C)C1 1655563268 COEPGQJSUGQGPA-LLVKDONJSA-N 260.219 3.701 30 20 CHED COc1ccc(CN[C@H]2CCC(C)(C)C[C@H]2C)cc1C#N 1655762848 YTPYUKFRHNKEDI-CJNGLKHVSA-N 286.419 3.871 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1sccc1C#N 1673283124 SRUUZMARUUEJOW-VIFPVBQESA-N 265.382 3.566 30 20 CHED O=C(O)c1cc(NN=CCC2CCC2)ccc1Cl 1776034417 FZHMXPPSMJOWQS-UHFFFAOYSA-N 266.728 3.626 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccc(F)c(C(=O)O)c1 1776062544 YYZHNMWHRZCYDU-QWRGUYRKSA-N 278.327 3.748 30 20 CHED Cc1ccc(C=NNC2CCC(C)(C)CC2)c(C(=O)O)c1 1776097781 BMMUBHCDMJJJOU-UHFFFAOYSA-N 288.391 3.586 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1ccc(Cl)cc1F 1776106422 FGTPROSTOABKSV-UHFFFAOYSA-N 298.745 3.912 30 20 CHED O=C(O)/C=C/c1ccc(/C=C\C(=O)c2cccc(F)c2)cc1 1776129346 FXBSKQBUZSEWCP-PNQPDEHRSA-N 296.297 3.820 30 20 CHED C=C(C)CCCC(=O)Nc1cccc2cc(C(=O)O)ncc12 1776138324 KZZHBLRRFAKITJ-UHFFFAOYSA-N 298.342 3.618 30 20 CHED C=C[C@@H]1CCCN(c2c(C(=O)O)cnc3ccc(C)cc23)C1 1776150300 IWFVBEXLOMHVJV-CYBMUJFWSA-N 296.370 3.644 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 107394274 FZOALEBYYPZOOK-OAHLLOKOSA-N 272.392 3.748 30 20 CHED N#Cc1ccc(F)cc1CN1CCS[C@H]2CCCC[C@H]21 247385449 IEQSIOFOOHFMPO-CVEARBPZSA-N 290.407 3.557 30 20 CHED CCC[C@@H](Nc1ccc(C(C)(C)C#N)cc1)C(=O)OCC 173892618 FNDPOQFZZSYOMV-OAHLLOKOSA-N 288.391 3.631 30 20 CHED C=C(Br)CN(C)[C@H](C)c1sc(C)nc1C 106936617 RJVWGVXQNQUXQG-SECBINFHSA-N 289.242 3.661 30 20 CHED C=CCS[C@H](C)C(=O)Nc1cc(Cl)ccc1F 114757120 RAOMQUGWJYPTJU-MRVPVSSYSA-N 273.760 3.725 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(COCC)c1 105031568 YRBPZKKLZIZMCP-UHFFFAOYSA-N 276.380 3.653 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)Cc2ccc(C#N)cc2)C1 173641784 CUKXBPSMDNCUSV-SFHVURJKSA-N 284.403 3.530 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1CCCSCC#N 174174364 NZUIURWJEJERLI-UONOGXRCSA-N 254.443 3.534 30 20 CHED N#Cc1ccc(NCc2cccnc2OC2CCCC2)cc1 301074211 IEWWJJXPDDWRKY-UHFFFAOYSA-N 293.370 3.887 30 20 CHED N#Cc1cc(F)c(NC[C@H]2[C@H]3c4ccccc4C[C@H]32)c(F)c1 301691057 KHOGAFGUEQXQRH-VBQJREDUSA-N 296.320 3.834 30 20 CHED CCN(CCc1ccccn1)[C@@H](C)c1ccc(C#N)cc1 171064784 HRSROSRCOZKFPU-HNNXBMFYSA-N 279.387 3.579 30 20 CHED Cc1ccc([C@H](C)N(C)c2ccc([N+](=O)[O-])c(C#N)c2)cc1 302164133 IPISUTGSBHZKEL-ZDUSSCGKSA-N 295.342 3.972 30 20 CHED C#CCCCCNC(=O)Nc1ccc2cnn(C(C)C)c2c1 177251203 SAFLPFONQSPXIB-UHFFFAOYSA-N 298.390 3.542 30 20 CHED CC[C@H](C)Oc1cc(CNc2ccc(C#N)cc2F)ccn1 302834534 UCWFGKCWSMIDTF-LBPRGKRZSA-N 299.349 3.882 30 20 CHED C=C(C)CNC(=O)c1sc2cc(F)ccc2c1Cl 22331588 FAIACOILLHGSMY-UHFFFAOYSA-N 283.755 4.000 30 20 CHED N#Cc1ccc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 301792422 ROYYOAAVOQBMSC-UHFFFAOYSA-N 293.326 3.635 30 20 CHED C=C(Cl)CN(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 176915301 OTUYGGIZXUWVBA-RDJZCZTQSA-N 292.854 3.724 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(C#N)c2)CC1 1435979645 WHBJDNBXWDZQLX-DOTOQJQBSA-N 284.403 3.893 30 20 CHED CCCCCN(C(=O)c1cc(C#N)cn1C)[C@H](C)CCC 176901071 VAFUFURBGWAXSJ-CQSZACIVSA-N 289.423 3.718 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(Cl)ccc1F 116998255 NFLZJKBXUNFLDC-MRVPVSSYSA-N 256.708 3.565 30 20 CHED COC(=O)Cc1ccccc1CSc1cccc(C#N)c1 119695859 RVUCCMOTFSAJRI-UHFFFAOYSA-N 297.379 3.566 30 20 CHED N#Cc1csc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)c1 177692383 DIEQUEMRORITBQ-DLBZAZTESA-N 298.411 3.630 30 20 CHED COc1cc(F)cc(NC(=O)CC2(C#N)CCCCC2)c1 1351133306 SOWYWLXDJBVNMU-UHFFFAOYSA-N 290.338 3.637 30 20 CHED CC(C)=CCCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 302733020 VASKXCWHBYSUCV-UHFFFAOYSA-N 296.330 3.783 30 20 CHED C=CCCSc1nnc(-c2ccccc2OCC)o1 128671425 DAFDLCJCZMHXRK-UHFFFAOYSA-N 276.361 3.804 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(Cl)cc(C(F)(F)F)c1 125346101 AOSUXHCPNCCBAG-SNVBAGLBSA-N 291.656 3.818 30 20 CHED COc1ccc(CN[C@H](C)CCc2ccccc2)cc1C#N 124932821 FCFFZTSJUZDOIX-OAHLLOKOSA-N 294.398 3.678 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)C2(C#N)CC(C)C2)c1 124174912 WWTMMRBQPCIUDR-JZLYGMAVSA-N 286.375 3.742 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(C)CCCCC2)c1 152847273 OZMPYPJHPAMUJN-UHFFFAOYSA-N 255.361 3.601 30 20 CHED CC(C)CC(=O)Nc1scc(C(C)(C)C)c1C#N 75296579 KQBXRVJFFYDPRG-UHFFFAOYSA-N 264.394 3.902 30 20 CHED Cc1cccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1Cl 434010616 FDRMUVRTYHUHBD-ZDUSSCGKSA-N 290.794 3.803 30 20 CHED C=CC[C@H](C)N[C@@H](Cc1cccc(OC)c1)C1CC1 180948566 UKKFRDYEZGZJPE-GUYCJALGSA-N 259.393 3.571 30 20 CHED C=CCC1(C(=O)N(CCC(F)(F)F)CC2CC2)CCC1 189118675 IICNFERAITZMCM-UHFFFAOYSA-N 289.341 3.924 30 20 CHED Cc1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)oc1C 76153195 AIGNHODFCVACSB-IRXDYDNUSA-N 295.386 3.563 30 20 CHED C=C(C)CCc1noc(Cc2cccc(Cl)c2)n1 508626342 VNUHBWJMDRUJJV-UHFFFAOYSA-N 262.740 3.823 30 20 CHED CC[C@H](C#N)NC(=O)c1ccccc1Oc1ccccc1 123600652 OCBSYHMWKHOAKH-CYBMUJFWSA-N 280.327 3.511 30 20 CHED CC(C)c1cccc(N(C)CCCSCC#N)c1 74989133 JQMMKGAQGRLENH-UHFFFAOYSA-N 262.422 3.893 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCC[C@H]2O)c(Cl)c1 413000142 OMAUXPIVSOAMGD-WCQYABFASA-N 281.808 3.855 30 20 CHED CC#CCCCC(=O)N(C)CCc1ccc(Cl)cc1 185557751 IQOCRHZHBUCPEI-UHFFFAOYSA-N 277.795 3.535 30 20 CHED COC1([C@@H](C)NCc2ccccc2C(C)(C)C#N)CCC1 412021397 MMCBOHUBPSJKIT-CQSZACIVSA-N 286.419 3.535 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2cc(C)ccn2)cc1 182640376 QRIXQKFBOVWRMP-CQSZACIVSA-N 266.344 3.575 30 20 CHED CC[C@H](CC(C)C)C(=O)N(CCC#N)Cc1ccco1 413283648 TVOVMDXZHMWXMN-CQSZACIVSA-N 276.380 3.594 30 20 CHED C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)cc1F 503937748 OTTUECPAUPVANX-OWYVNGRQSA-N 298.308 3.508 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)[C@H]2CC=CCC2)cc1 72678971 BAHZTLODWLPAFQ-HNNXBMFYSA-N 298.386 3.688 30 20 CHED CO[C@](C)(C1CC1)[C@@H](C)NCCC1(C#N)CCCCC1 411979507 ZYQRMYIUHUGOHH-ZBFHGGJFSA-N 278.440 3.644 30 20 CHED C=CCC[C@H](O)CN[C@@H](CC)c1ccc(Cl)cc1 121774550 DUXVNDDWROKGSF-GJZGRUSLSA-N 267.800 3.708 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ccnn1C(C)C 414532585 HMVKIPNTSWJQCX-QGZVFWFLSA-N 283.419 3.741 30 20 CHED COc1cccc2cc(CNc3ccccc3C#N)oc12 37202983 ZGIDKRICLYJEEN-UHFFFAOYSA-N 278.311 3.925 30 20 CHED C=CCC[C@@H](CC)NCC1CCN(CC(F)(F)F)CC1 188508465 DSEFCKLMNHRDIW-CQSZACIVSA-N 292.389 3.595 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccnn1-c1cccc(F)c1 183887841 MTLZVHPMTRAUFU-UHFFFAOYSA-N 299.349 3.718 30 20 CHED CCN(Cc1ccncc1)[C@H](C)c1ccc(C#N)cc1 130285056 BJDBJGUQXZEKBW-CQSZACIVSA-N 265.360 3.536 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(C)cn1)c1ccccc1 130192401 RPWZRZTZVDLVDU-AWEZNQCLSA-N 266.344 3.688 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@H]1C)C1(c2ccccc2)CCCC1 410723568 GOYBGTQYMFEARS-ZRGWGRIASA-N 296.414 3.553 30 20 CHED C=C(Cl)CNC(=O)C1(c2cccc(Cl)c2)CCC1 134814232 GUDHALXHIQDQGL-UHFFFAOYSA-N 284.186 3.630 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCc1ccc2ccccc2c1 188121874 WZUCXVZYMAUSFT-LJQANCHMSA-N 297.398 3.685 30 20 CHED N#C[C@H](C(=O)CCc1ccc(Cl)cc1)c1ccccn1 41492353 LLMOWABMCZGRFU-AWEZNQCLSA-N 284.746 3.544 30 20 CHED CCC(CC)c1nnc(NCc2cccc(C#N)c2)s1 181940210 FQNNJXBFEZZJJL-UHFFFAOYSA-N 286.404 3.925 30 20 CHED C=CCOCCSCc1ccn(C(CC)CC)n1 419436408 DITQFUQHTSZRKT-UHFFFAOYSA-N 268.426 3.680 30 20 CHED C[C@H](OC1CCCCCC1)/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C 328693953 FVFUMOZLLDVSIR-SGMGOOAPSA-N 296.411 3.578 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccc(C#N)cc1F 1266096903 YPFNMVBMXGQPMO-UHFFFAOYSA-N 276.355 3.644 30 20 CHED N#Cc1cnc(N2CCCc3sccc3C2)c(Cl)c1 609333808 RWZJFIMYBLNNGV-UHFFFAOYSA-N 289.791 3.621 30 20 CHED CC(C)[C@@H]1CCC[C@H](N/C(O)=N/CC[C@H]2CCOC2)CC1 329871229 APNJXEMIZHQHNQ-XHSDSOJGSA-N 296.455 3.522 30 20 CHED CC(C)[C@@H](C#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 84600795 GAFINYQOVFSSFV-SUMWQHHRSA-N 280.371 3.608 30 20 CHED CCO[C@@H]1C[C@@H](NCCCC(C)(C)C#N)C12CCCC2 514757776 AZFXCIJZZCPBNN-HUUCEWRRSA-N 278.440 3.644 30 20 CHED C[C@@H]1CCN(CCOc2ccccc2C#N)[C@@H]2CCCC[C@H]12 518372044 IHQUHSWLNBHVRL-KBAYOESNSA-N 298.430 3.838 30 20 CHED Cc1ncc(/C(O)=N/[C@@H]2CC[C@H](C)[C@@H](C)C2)c(C2CC2)n1 329816829 WHQXCXXJJKACOT-COPLHBTASA-N 287.407 3.792 30 20 CHED N#Cc1cccc(CNc2ccc(Cl)cc2)c1F 223726136 RESASGVSXCWXBD-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC[C@@H](CCc1ccc(Br)cc1)NCCC#N 426005866 UGIIKXILRMTMFS-AWEZNQCLSA-N 295.224 3.664 30 20 CHED CC(C)(C)CCCCNC(=O)c1c(F)cc(C#N)cc1F 132964364 MMQUSAUVROHGPQ-UHFFFAOYSA-N 294.345 3.783 30 20 CHED C=CCn1c(SCCCc2cn[nH]c2)nc2ccccc21 133269068 XMTNFXQBLFNAKM-UHFFFAOYSA-N 298.415 3.670 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1cccc(OCC)c1 429871258 LJVXLLWISJVUJQ-ZDUSSCGKSA-N 275.392 3.865 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(C)(C)C(=C)C 425421917 RPUNKFGKTHLIIV-UHFFFAOYSA-N 263.406 3.865 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1 424741717 UBAHFRSMGMAGGR-UHFFFAOYSA-N 297.402 3.637 30 20 CHED C[C@@H](N[C@@H](CCCN)c1ccccc1)c1ccc(C#N)cc1 423503072 MLAOJKNFEQHHMG-BEFAXECRSA-N 293.414 3.689 30 20 CHED CS[C@@H](C/N=C(/O)c1cc(C#N)oc1C)C(C)(C)C 331215078 CETSLIOIUXYKNY-LBPRGKRZSA-N 280.393 3.542 30 20 CHED Cc1nc(N(C)[C@H](C)c2cccs2)ccc1C#N 291647510 NHCZJXBYOZWHFE-LLVKDONJSA-N 257.362 3.521 30 20 CHED COc1ccc(Cl)c(NCCC(C)(C)C#N)c1 87591808 TWLXUYBGUVGFOT-UHFFFAOYSA-N 252.745 3.700 30 20 CHED C[C@H](C#N)C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 334791361 QFMGFYPPPBVSCV-GDBMZVCRSA-N 282.387 3.680 30 20 CHED C=CCOc1ccc(CNCC(C)(C)CC)cc1OC 428548853 RKDNKANGTNAQCF-UHFFFAOYSA-N 277.408 3.786 30 20 CHED CC(=O)Nc1cccc(/C(O)=N/C[C@@H]2CC[C@H](C)C2)c1C 331091570 WQSLZQGUKBPOSJ-SMDDNHRTSA-N 288.391 3.694 30 20 CHED Cc1ccc(N=C(O)N[C@@H](C(C)C)C(C)(C)O)cc1Cl 331069735 BTZYGYHRYZILBS-ZDUSSCGKSA-N 298.814 3.579 30 20 CHED Cc1ccc2c(c1)CN([C@@H](C)c1cccc(C#N)c1)CCO2 512257223 BSWYBDITBINIQF-HNNXBMFYSA-N 292.382 3.822 30 20 CHED CCSc1cccc(N/C(O)=N/C[C@@]2(C)CCOC2)c1 330785241 TURDBJBQQPFNKK-OAHLLOKOSA-N 294.420 3.551 30 20 CHED CC[C@H](N/C(O)=N/CCC=C(C)C)c1c(C)noc1C 331075970 HSWXVURTNNAIDG-ZDUSSCGKSA-N 279.384 3.602 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](C)c1ccccc1 512439164 OHUCLCYJSSPMKH-MRXNPFEDSA-N 299.414 3.954 30 20 CHED CC#CC(=O)Nc1ccc2cc(Br)ccc2c1 232650036 CTALJSVHABCQTI-UHFFFAOYSA-N 288.144 3.564 30 20 CHED C=C(CNC(=O)N1CCC(C)(CC)CC1)c1ccccc1 512674429 XHBJFJVLEGTZHI-UHFFFAOYSA-N 286.419 3.922 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CC(C)(C)c2ccccc21 431697403 ORTSTRJTEROBTN-WFASDCNBSA-N 272.392 3.673 30 20 CHED CC1(C)CC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 334728467 DPZWTEDEWZKUEW-ZDUSSCGKSA-N 291.782 3.716 30 20 CHED CC(C)Cc1nc(C(=O)Nc2ccccc2CC#N)cs1 339188802 MEPZWMDTTYIZBD-UHFFFAOYSA-N 299.399 3.660 30 20 CHED C[C@@H](c1noc(C2(C#N)CCCC2)n1)c1cccs1 336021752 LTOIVYDVYPPWNZ-SNVBAGLBSA-N 273.361 3.618 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)c2cccc(C#N)c2C)s1 337871616 RNOMTSCLAOBQDZ-NSHDSACASA-N 298.411 3.598 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccnc(C)c1 527535639 XZAFFJWMWBWVAB-UHFFFAOYSA-N 266.388 3.621 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)c1ccc2n[nH]cc2c1 343924578 WTJAPTDUJHYZLR-JTQLQIEISA-N 280.306 3.747 30 20 CHED C=C(C)CCNc1ccc(Cl)cc1C(=O)N1CCCC1 345400533 ARTNLBOVPUCCJF-UHFFFAOYSA-N 292.810 3.954 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccccc1 248023102 VJKWBYPSNPPTEQ-UHFFFAOYSA-N 278.355 3.609 30 20 CHED C[C@H](NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 527850414 WTWOIZANRPHLQY-WIRVQXDCSA-N 282.387 3.562 30 20 CHED Cc1cc(-c2nc3cnccc3s2)ccc1C#N 435699630 ZHPKOMNNJYWRBF-UHFFFAOYSA-N 251.314 3.538 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H](C)CC 342549760 TVSHKDYTUGMIBJ-HNNXBMFYSA-N 291.439 3.805 30 20 CHED C[C@@]1(C(=O)[C@H](C#N)c2nc3ccccc3o2)C[C@H]2CC[C@H]1C2 528929386 QSLUZWFEALFXPN-PAKFGRKTSA-N 294.354 3.830 30 20 CHED Cc1ccc(NCCC(=O)Nc2cccc(C#N)c2)cc1C 242656319 CSKJDJVYJHVIEA-UHFFFAOYSA-N 293.370 3.616 30 20 CHED C=CCCN(C)C(=O)CCCSc1ccc(OC)cc1 341945041 HABATCRZAJFTQA-UHFFFAOYSA-N 293.432 3.602 30 20 CHED Cc1ncc([C@H](C)NC2CCC(C)(C#N)CC2)s1 601299192 KFPPYJKSVOLORV-JKDOVBDQSA-N 263.410 3.575 30 20 CHED COc1cccc(C(C)(C)CNc2nc(C)ccc2C#N)c1 346824367 GGPFRRGJLFMDIJ-UHFFFAOYSA-N 295.386 3.660 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@H](C2CC2)C1 343429649 SWSIRFASSSFGGX-NSHDSACASA-N 299.324 3.621 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccc(F)cc1F 435662305 CTPBTRZVWJBSPW-JLZZUVOBSA-N 295.373 3.987 30 20 CHED C=CCCCS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 609804749 DWKRVQZJXMSPKE-MJBXVCDLSA-N 269.454 3.769 30 20 CHED COc1ccc(C#N)cc1CN1[C@H](C)C[C@H]2CCCC[C@H]21 438174098 GBVUFUVJHQUCER-FRFSOERESA-N 284.403 3.720 30 20 CHED Cc1ccccc1[C@@H](NC[C@@H](C)CCC#N)C1CC1 602546999 WBKOLWUKRSQTAO-GUYCJALGSA-N 256.393 3.976 30 20 CHED C=C[C@H](CC(=O)Nc1cncc(C)c1)c1ccccc1 340307743 AHRZKUAYIOISQN-CQSZACIVSA-N 266.344 3.688 30 20 CHED N#Cc1cc(=NCc2cc3ccccc3o2)[nH]c2ccccc12 522936289 WBURYWBMXPGBTG-UHFFFAOYSA-N 299.333 3.887 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1C(F)(F)F 528666555 CLONLBIPCQSOFI-LBPRGKRZSA-N 288.700 3.738 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 448747071 DLYWOEMWTQZPKH-XYJFISCASA-N 299.414 3.646 30 20 CHED CCC1(CC)CCN(C(=O)c2ccccc2CC#N)CC1 601466915 MRJDHNMUZCYFTN-UHFFFAOYSA-N 284.403 3.795 30 20 CHED Cc1cc(-c2noc(-c3cc(C#N)cs3)n2)cc(C)c1O 445468397 DTNOUIWQHIKDRT-UHFFFAOYSA-N 297.339 3.659 30 20 CHED Fc1ccc(CON=Cc2ccccc2OC(F)F)cc1 250208350 XLSNXDXTKIASIB-UHFFFAOYSA-N 295.260 3.978 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)c(F)c1 255053710 UILBKBMYZOZHIR-KXFIGUGUSA-N 290.265 3.575 30 20 CHED C[C@H](CCC#N)CNc1cccc(OCCCC#N)c1 602485523 UQZKFHPBNKLAJH-CQSZACIVSA-N 271.364 3.721 30 20 CHED C[C@@H]1CCCN([C@H](C)CNc2cc(Cl)ccc2C#N)C1 609891726 HLIVRVNMSGQYGW-CHWSQXEVSA-N 291.826 3.744 30 20 CHED C[C@H]1CN(Cc2cc(F)ccc2C#N)CC(C)(C)C1 544117330 QKNZJOQOALGJGV-GFCCVEGCSA-N 260.356 3.565 30 20 CHED CC(C)(C#N)CC(=O)NC1(c2ccc(F)cc2)CCCC1 447349107 VIEJOHBZBNVWQZ-UHFFFAOYSA-N 288.366 3.651 30 20 CHED Cc1nn(C)c2cc(NCc3cc(C#N)ccc3F)ccc12 359828255 DGCQIJVWCVYIAM-UHFFFAOYSA-N 294.333 3.505 30 20 CHED CC#CCNC(=O)c1ccc(SCc2ccccc2)cc1 536524935 CUUCLWSLXURYOG-UHFFFAOYSA-N 295.407 3.732 30 20 CHED CCCN(Cc1ccc(C)cc1)c1ccc(C#N)cn1 533205622 OIAQMLOVBAOYCL-UHFFFAOYSA-N 265.360 3.678 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H](c2cccs2)C2CC2)C1 447541190 LLEWDKSZJUBMDD-UXIGCNINSA-N 260.406 3.871 30 20 CHED CCCN(CC(F)F)C(=O)C[C@@H](CC#N)c1ccccc1 355456590 LNPWSCMZSOMIPQ-CQSZACIVSA-N 294.345 3.578 30 20 CHED C=C(C)CCN[C@@H]1CCC[C@H](c2ncccc2C)C1 449470943 BRXZCHPGDBDGRQ-JKSUJKDBSA-N 258.409 3.972 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C(F)(F)F)C1 615444898 LGOPVJZQAIVOLO-GWCFXTLKSA-N 268.282 3.503 30 20 CHED COc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)cc1C#N 610994752 PFXIDRACFWJWQW-KUHUBIRLSA-N 292.382 3.760 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)c(C)c1 443980296 QKLGXAVUDJCRGH-IBGZPJMESA-N 276.383 3.952 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(COC2CCCC2)cc1 449915372 ODMDUVMZNYDVIX-FZKQIMNGSA-N 298.386 3.634 30 20 CHED Cc1ccc(N(CCC#N)C(=O)Cc2ccsc2)cc1 263880128 WUPGXDUJYFBDJG-UHFFFAOYSA-N 284.384 3.546 30 20 CHED CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1C#N 269818542 IMDTWQBCOJIMQA-UHFFFAOYSA-N 294.398 3.737 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccc(C(C)=O)c1 359808009 XOGZPLPSRMKMAR-UHFFFAOYSA-N 299.395 3.779 30 20 CHED C[C@H](c1cccc(O)c1)N(C)Cc1cccc(C#N)c1F 352881201 DNNOJPQQZWBPTI-GFCCVEGCSA-N 284.334 3.596 30 20 CHED CC(C)CC1(CNC(=O)NCC(C)(C)CCC#N)CCC1 354180789 SIKCVGZIAUEXGW-UHFFFAOYSA-N 293.455 3.832 30 20 CHED N#Cc1cccc(-c2nc(CSCc3ccco3)no2)c1 355588214 RLYFPTFSKNQJDQ-UHFFFAOYSA-N 297.339 3.635 30 20 CHED C=CCOc1cccnc1-c1nc(-c2cscc2C)no1 445632579 ROHNFXCYQRFHOX-UHFFFAOYSA-N 299.355 3.733 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 449911739 CINDMWZOCDCIJG-DMDPSCGWSA-N 290.329 3.554 30 20 CHED CCC1CN(C(=O)c2ccccc2-c2ccccc2C#N)C1 457292145 DAWKLAKJWVMHDU-UHFFFAOYSA-N 290.366 3.707 30 20 CHED C=CCC1(NC(=O)c2ccc(C(=O)CC)cc2)CCCC1 619107458 BQNPXTZRCVTXFT-UHFFFAOYSA-N 285.387 3.898 30 20 CHED C[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 611391948 BOVBRQHRKXYQHT-SJKOYZFVSA-N 254.377 3.571 30 20 CHED C=C(CC)CNC(=O)c1ccc(Cl)cc1Cl 453005700 BONRUBYAECAIFK-UHFFFAOYSA-N 258.148 3.689 30 20 CHED C[C@H](CCC1CC1)N[C@@H]1CCc2cc(C#N)ccc21 618802936 GHPJHGSQVLHCDN-SJKOYZFVSA-N 254.377 3.714 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(SC)c(Cl)c1 362672570 QWQGXEDSQKUZBR-MRVPVSSYSA-N 270.785 3.758 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1sc(C(C)C)nc1C 453360723 PQBLIYAYVPRFQO-WCQYABFASA-N 282.453 3.553 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 458808281 HOTMHMNVMBXLOJ-ZIAGYGMSSA-N 298.496 3.904 30 20 CHED C[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 610363296 JRZUJDHATKZPCT-MGBSGCIJSA-N 282.387 3.562 30 20 CHED CCCc1nsc(Sc2cccc(C#N)c2)n1 360082131 JTRITNFJGPZTER-UHFFFAOYSA-N 261.375 3.513 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 450481392 VXQRFFHYKHWLSN-ZDUSSCGKSA-N 296.414 3.662 30 20 CHED N#C[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccc(Cl)cc1 275063714 RPJJUUVQCFSQKL-WFASDCNBSA-N 288.778 3.767 30 20 CHED Cc1ccccc1CCCn1nc(C#N)c2ccccc21 541407612 BNTZACIRXWTFDN-UHFFFAOYSA-N 275.355 3.849 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCC(=O)c3ccccc32)C1 617779278 YCFPPINTBDFKIT-YOEHRIQHSA-N 297.398 3.561 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 274358487 MNLXPZNZXYATCC-SMDDNHRTSA-N 284.325 3.918 30 20 CHED C=C(C)[C@H](CC(=O)Oc1c(F)cccc1Cl)OCC 271155618 NKNCOOZKQOXDHK-LBPRGKRZSA-N 286.730 3.756 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@@H](C)Cc1cccs1 541250047 WDDCUNQFGPMSHD-STQMWFEESA-N 280.437 3.581 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(F)F)c1 362804780 HHJKXXDVWZKNSE-HUUCEWRRSA-N 298.292 3.546 30 20 CHED C=CCC1(NC(=O)c2sccc2OC)CCCCC1 456370609 RIQHWGVJMZHWKF-UHFFFAOYSA-N 279.405 3.766 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C2CC2)C1 549294299 UFJGELQWDQOYPA-UKRRQHHQSA-N 288.439 3.604 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)cc2F)ccc1F 610812831 UXEAWWPGZVEKSN-GFCCVEGCSA-N 286.325 3.996 30 20 CHED C#CC[C@@H](NC(=O)Nc1scnc1CC)c1ccccc1 270232417 INUIMNILSXXTQT-CQSZACIVSA-N 299.399 3.592 30 20 CHED C#CCCCNc1ccccc1N1C[C@H]2CC[C@H]1C2 279012716 APFQBDWBTSZYSF-GJZGRUSLSA-N 254.377 3.501 30 20 CHED C=C1CCN(C(=O)[C@H](CC)O[C@H]2CCC[C@H](C)C2)CC1 361822491 JCQIARORWJEEHI-JYJNAYRXSA-N 279.424 3.539 30 20 CHED C=CC(C)(C)CNC(=O)c1c(Cl)ccc(F)c1C 456119814 TVYRSNRXKIVMSB-UHFFFAOYSA-N 269.747 3.730 30 20 CHED Cc1ccc(Cl)cc1NC(=O)NCC#Cc1ccccc1 548627738 OVOXZFLLQKAEOR-UHFFFAOYSA-N 298.773 3.822 30 20 CHED C[C@H](C(=O)N1CC[C@@H](CC(C)(C)C)C1)c1cccc(C#N)c1 457089777 RXYVSZITJYMILL-HOCLYGCPSA-N 298.430 3.946 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(CC(F)(F)F)c1 278296193 HKNBEQMPCGSBJI-UHFFFAOYSA-N 284.281 3.670 30 20 CHED CC#CCCNC(=O)Nc1cccc(CCC(F)(F)F)c1 541766541 DHKLGSJWRBPZJU-UHFFFAOYSA-N 298.308 3.716 30 20 CHED C=CCC1(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)CCCCC1 627659356 NAMNVEHCEQZZKV-KZNAEPCWSA-N 295.426 3.968 30 20 CHED C=CC[C@H](C(=O)N1CCCC(F)(F)CC1)c1ccccc1 628632226 HGZWEQOPLNBEHN-HNNXBMFYSA-N 293.357 3.994 30 20 CHED C=C(C)CCNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 452721905 ITKJSXKPDRWMCZ-KBPBESRZSA-N 297.320 3.891 30 20 CHED Cc1ccc(F)cc1-c1noc(C2(C#N)CCCC2)n1 273874760 UEEWBWVBHMGQEK-UHFFFAOYSA-N 271.295 3.520 30 20 CHED C[C@H](NC[C@@H](c1ccsc1)N(C)C)c1ccc(C#N)cc1 271900611 VOWNJGMCEKLWOP-GUYCJALGSA-N 299.443 3.573 30 20 CHED C#CCCCN[C@H](C)c1cccc(OCc2ccccn2)c1 271815075 UWFOHBZMEDMJGF-MRXNPFEDSA-N 294.398 3.725 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 544035162 ZWQMIRFEGGCVHZ-ZQDZILKHSA-N 264.413 3.609 30 20 CHED Cc1nn(CCCOc2cccc(C(C)(C)C)c2)cc1C#N 461095336 WXQNBMMPZAZRKO-UHFFFAOYSA-N 297.402 3.830 30 20 CHED CC[C@@H](NCCCC#N)c1cccc(Cl)c1F 274080923 RAZUJQDIXJZWAH-GFCCVEGCSA-N 254.736 3.824 30 20 CHED CCC[C@]1(C)CCCN(Cc2ccccc2C#N)C1 464843738 YZVKWFVXPLKMLD-QGZVFWFLSA-N 256.393 3.960 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1ccccc1C 467845025 XSXBCXLLVFFYIS-SFHVURJKSA-N 273.420 3.991 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccccc1Cl 276137290 NXTIGPPOTABTBT-LLVKDONJSA-N 266.772 3.619 30 20 CHED C=CCCN(C)Cc1cccc(C(=O)Nc2ccccc2)c1 467285473 GLBDVKVIVBVATE-UHFFFAOYSA-N 294.398 3.947 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1sc(-c2ccccc2)nc1C 286129957 QLJDMEXBAJGCOT-INIZCTEOSA-N 299.399 3.997 30 20 CHED C=CCC1(NCCOCC(F)(F)C(F)F)CCCCC1 625934191 DRWDNEBBUAYBIQ-UHFFFAOYSA-N 297.336 3.772 30 20 CHED CCC[C@H](C)[C@@H](CC)NCCc1cccc(C#N)c1 467433388 PWWAMKGHLAZQHW-WMLDXEAASA-N 258.409 3.905 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)C1 556358144 ZJHDHRWKCRRLTM-IUODEOHRSA-N 288.366 3.642 30 20 CHED COc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c(C)c1 462043383 YPQFDYXKZULVPX-CYBMUJFWSA-N 294.354 3.618 30 20 CHED C[C@@H]1CN(C(=O)[C@H](C)c2cccc(C#N)c2)CC(C)(C)C1 462547325 SNHCDCCHJXVTQK-UONOGXRCSA-N 284.403 3.556 30 20 CHED CC(F)(F)c1ccc(CNCc2cccc(C#N)c2)cc1 559307866 HUTBOCHCLGNNGA-UHFFFAOYSA-N 286.325 3.960 30 20 CHED C=CCCCCCN(C)C(=O)c1cc2ccccc2c(=O)o1 280779470 JYOIDSNFXYCALK-UHFFFAOYSA-N 299.370 3.611 30 20 CHED CC#CCSCc1coc(-c2ccc(OCC)cc2)n1 464096409 ZBWSYCGGQDPAOX-UHFFFAOYSA-N 287.384 3.997 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)NCCc1cccc(C#N)c1 466423110 BMUWDPNJVLNSOL-CQSZACIVSA-N 298.817 3.975 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 465228266 WVNWYJGJLOKMAY-BDAKNGLRSA-N 287.190 3.928 30 20 CHED C=C(CC)CSCC(=O)N(C)[C@@H](C)CC(C)C 557304962 FGHVNCVUOGMFJR-ZDUSSCGKSA-N 257.443 3.579 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3C[C@@H]4[C@@H](C3)C4(C)C)c2c1 462896074 MSDHYQWGACSXGD-HZPDHXFCSA-N 291.398 3.816 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCC(F)(F)CC1 637022764 IWRUXLBRLDXHLW-GFCCVEGCSA-N 274.355 3.562 30 20 CHED C=CCCCN[C@H](C)c1ccc(-n2cccn2)c(F)c1 550225871 WNWSSYQHKCOBGC-CYBMUJFWSA-N 273.355 3.628 30 20 CHED C=CCCCCN[C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 471614543 MPUXEVXMFNSFAZ-AWEZNQCLSA-N 298.430 3.980 30 20 CHED C=CCCC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 554808809 UFBBBFLZJQIURJ-PHIMTYICSA-N 263.303 3.532 30 20 CHED C=C(C)COC(=O)c1ccccc1-c1ccccc1C#N 804465406 MBVPADYULGMWIK-UHFFFAOYSA-N 277.323 3.958 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2cccc(F)c2)cc1 474085454 WNUVXZUKBDTQKP-UHFFFAOYSA-N 282.318 3.879 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1cc(C#N)ccc1C 291584895 WSFMJFFHEUUSRY-UHFFFAOYSA-N 273.380 3.767 30 20 CHED C=CCn1c(CC)nnc1N1CCC[C@H]1C1CCCCC1 563839977 FOVLVJASMPBXRT-HNNXBMFYSA-N 288.439 3.576 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 470133255 AIWWEYKZRKGSDG-UXIGCNINSA-N 290.794 3.847 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1c(F)cccc1F 293958221 IFWQHBAUTMXZJJ-UHFFFAOYSA-N 267.319 3.526 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(Cl)o2)no1 566587181 HELDWIQURJJRNU-LBPRGKRZSA-N 252.701 3.837 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C)c1c[nH]c2ccccc12)C(C)(C)C 807884583 PUNSTNNEPMAHKE-DYVFJYSZSA-N 296.414 3.826 30 20 CHED C=C(C)CN(C)C(=O)CSc1ccc2ccccc2c1 479317691 RZFLOCNQNJEJOW-UHFFFAOYSA-N 285.412 3.966 30 20 CHED C#Cc1ccc(CNc2ccc3c(c2)CCCN3C)cc1 809633600 IHQVNICOLQCSRQ-UHFFFAOYSA-N 276.383 3.662 30 20 CHED N#C[C@@]1(C(=O)Oc2ccc3cccnc3c2)CC12CCCC2 298600271 JOHNMQKFMAVMII-GOSISDBHSA-N 292.338 3.614 30 20 CHED Cc1ccsc1-c1noc(-c2cccc(CC#N)c2)n1 565804868 AIKGTLDXDUTAFZ-UHFFFAOYSA-N 281.340 3.840 30 20 CHED C#Cc1ccc(CN[C@H](CC(F)(F)F)C(C)C)cc1 809650248 RUGRZTVPZQUIIK-CQSZACIVSA-N 269.310 3.735 30 20 CHED CC[C@](C)(C#N)C(=O)OC[C@H](OC)c1ccc(Cl)cc1 803786559 INUHBVMLTOLECY-DZGCQCFKSA-N 295.766 3.511 30 20 CHED C=CCCCC[C@H](C)NC1CCC(O)(CC)CC1 648493198 UTQXRCOIROLLHR-FHERZECASA-N 253.430 3.795 30 20 CHED C[C@@H](NN=Cc1ccc(C2CC2)cc1)c1ccncc1 819819204 UCHYMHCOAYOZJY-CYBMUJFWSA-N 265.360 3.644 30 20 CHED CCC(C=NN1Cc2ccccc2C1=O)(CC)CC 814902155 GPDDICZWLKNXQW-UHFFFAOYSA-N 258.365 3.845 30 20 CHED CCOc1cc(C#N)ccc1OCc1cccc(F)c1C#N 488236594 STQQIKYZTIYTFK-UHFFFAOYSA-N 296.301 3.547 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NOC/C=C\Cl 811670180 YWDOLWVQOPUGRX-OCZWDMSASA-N 289.766 3.592 30 20 CHED Cc1ccc2sc(C(=O)OCC(C)(C)C#N)cc2c1 810664561 WUEYRBJGUAKURQ-UHFFFAOYSA-N 273.357 3.916 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(C)CC(C)(C)C#N)cc1 817618036 QCJJHAXDRBCEFS-ZDUSSCGKSA-N 272.392 3.822 30 20 CHED Cc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc1 811696048 PQSXSIPZKPDKMW-LZYBPNLTSA-N 259.308 3.689 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 819735021 YQXGRVMDDHGDKB-XJKSGUPXSA-N 299.422 3.652 30 20 CHED C=CCN(Cc1cc(F)ncc1F)c1ccccc1 813338366 FTGMDEYAIOUXAR-UHFFFAOYSA-N 260.287 3.552 30 20 CHED Cc1cc(C#N)ccc1C(=O)NC1(C(F)F)CCCCC1 571666706 OMHOZXAGDWVNNE-UHFFFAOYSA-N 292.329 3.565 30 20 CHED CCc1cccc2c(C=NOCCOC(C)C)c[nH]c12 812239620 ZCDPAMAHAMTSHT-UHFFFAOYSA-N 274.364 3.506 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(C)C 700567936 WIBAWIQENOKKPE-BXUZGUMPSA-N 295.835 3.595 30 20 CHED N#Cc1cc(N2CCC[C@H]2CCC2CCCCC2)ncn1 573637948 MAXQLCDUXXBNTB-INIZCTEOSA-N 284.407 3.678 30 20 CHED C[C@@H](Nc1cc(C#N)ncn1)C1(c2ccccc2)CCCC1 576857612 OODYVPKJWRGZIQ-CQSZACIVSA-N 292.386 3.661 30 20 CHED C=CCC1(c2nc(C3(c4ccncc4)CCC3)no2)CCC1 656034425 DGPSACYCTYITTA-UHFFFAOYSA-N 295.386 3.932 30 20 CHED C=CCNc1nnc(SCOCCC(C)(C)C)s1 814718552 BHKOFATXELLBMI-UHFFFAOYSA-N 287.454 3.638 30 20 CHED C=CCCC(CC)=NN[C@@H](C)COc1ccccc1 811665268 NAZVETWQFBETDZ-AWEZNQCLSA-N 260.381 3.776 30 20 CHED CC[C@H](OC(=O)c1cccc(C#N)n1)c1ccc(C)cc1 810555475 FINOHCIDXWYGOO-INIZCTEOSA-N 280.327 3.570 30 20 CHED COCCC(C)=NNc1cc(C(F)(F)F)ccc1F 814886054 PVXUFQLUUUSHOO-UHFFFAOYSA-N 278.249 3.669 30 20 CHED C#CCCCCCc1nc(-c2sccc2C)no1 810314739 HMDWBOZUEIEAQA-UHFFFAOYSA-N 260.362 3.843 30 20 CHED C=CCCCCOC(=O)CCCc1ccsc1 811012040 VKAVBPMEFIYGOU-UHFFFAOYSA-N 252.379 3.970 30 20 CHED CCC[C@@H](CC)NC(=O)c1ccccc1SCC#N 813428081 SGEVFVIMGUMXTR-GFCCVEGCSA-N 276.405 3.611 30 20 CHED N#Cc1ccc2c(c1)C(=NNc1cccc3cnccc13)CC2 811641558 HHGZPOGLICCSKP-UHFFFAOYSA-N 298.349 3.869 30 20 CHED C=CCCn1cc(CN(Cc2ccccc2)[C@@H](C)CC)nn1 653489168 LEYBYBBODOWEHE-INIZCTEOSA-N 298.434 3.655 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(C)ccc1C 486749538 WWZOEDSIWZFDGD-AWEZNQCLSA-N 258.365 3.876 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 726532410 ILPZUBUUMFJLDB-CQSZACIVSA-N 283.375 3.713 30 20 CHED CSC[C@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 572458402 MARDIVZUZBKFKR-AWEZNQCLSA-N 297.427 3.686 30 20 CHED Cc1sc(N(C)C[C@H](C)C#N)nc1-c1ccc(F)cc1 823228300 VYZDEYQXPJIFJZ-SNVBAGLBSA-N 289.379 3.854 30 20 CHED C=CCC[C@@H](C)NC[C@@H](OC1CCCC1)C(F)(F)F 658124960 RWEBTZFTYNCOTA-DGCLKSJQSA-N 279.346 3.821 30 20 CHED C=CCCC(=O)OCC(=O)c1ccc([C@@H](C)CC)cc1 726654867 HSFWITIHWDOAFV-ZDUSSCGKSA-N 274.360 3.892 30 20 CHED C#Cc1cccc(NC(=S)N(Cc2ccco2)C(C)C)c1 726485466 OAKQKLPIOXPYMS-UHFFFAOYSA-N 298.411 3.868 30 20 CHED COc1ccccc1/C(C)=C/C(=O)Oc1ccc(C#N)cc1 727291550 SAZHVRBQAMSIQC-ACCUITESSA-N 293.322 3.576 30 20 CHED CCCC(=O)c1ncccc1N(C)Cc1cccc(C#N)c1 663384131 NLOMDHSSXQVIQI-UHFFFAOYSA-N 293.370 3.572 30 20 CHED C=CCC1(NC(=O)NC[C@H](C)CC(F)(F)F)CCCC1 665143646 HOWCXBGZNQEBBU-LLVKDONJSA-N 292.345 3.763 30 20 CHED CCN(C(=O)C(C)=C1CCC1)[C@@H](C)c1ccc(C#N)cc1 825393609 IHVIYZZAMAVVNK-AWEZNQCLSA-N 282.387 3.968 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)OCCCC(C)(C)C#N 820931445 IZPDYQCWOBUJNO-STQMWFEESA-N 251.370 3.686 30 20 CHED C=CCC1(NCC(=O)Nc2ccc(C)cc2F)CCCC1 661848318 KSTZMPAFAPBKSC-UHFFFAOYSA-N 290.382 3.551 30 20 CHED C#CCCOC(=O)c1sc2cccc(F)c2c1C 727041605 WQEOTQOVGFKWJT-UHFFFAOYSA-N 262.305 3.529 30 20 CHED Cc1ccoc1CC(=O)OCCCCC1(C#N)CCC1 909425745 NWZYFNWKJNQPQP-UHFFFAOYSA-N 275.348 3.538 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@]23CCC[C@@H]2C3)CC1 581937398 FRSOSUNGUZTKJL-NEZFAWNLSA-N 288.435 3.791 30 20 CHED C=C(CNC(=O)[C@H]1CCOC2(CCCC2)C1)c1ccccc1 908205759 ABDAWQNPOHDMSZ-KRWDZBQOSA-N 299.414 3.555 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccccc2Cl)no1 903315607 JKZWGFWLBZNQJN-AAEUAGOBSA-N 290.750 3.839 30 20 CHED Cc1cccc2oc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc12 904179062 DDAHSEBSOOMMFO-KRWDZBQOSA-N 284.359 3.799 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)CC2CCCC2)c1 733931530 AWSZVZPCMFGEAI-CQSZACIVSA-N 269.388 3.847 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H](C)c2ccccc2)c1 582029461 WNRLDYBGVZOPRX-ZDUSSCGKSA-N 278.355 3.976 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@](C)(C#N)C2CCCCC2)C1 581092189 YAMBSMBBDLLFQJ-SUMWQHHRSA-N 276.424 3.791 30 20 CHED C=CCOc1ccccc1C/N=C/c1cc(OC)ccc1O 731937855 OYPMIVBPGVLILJ-CPNJWEJPSA-N 297.354 3.585 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCCCCC#N 588255746 TUMOPYCXYUPOBF-UHFFFAOYSA-N 276.405 3.737 30 20 CHED CC[C@@H](Nc1cnn(C)c1C1CC1)c1cccc(C#N)c1 902958257 YEAAWFYIDAIUPC-OAHLLOKOSA-N 280.375 3.732 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H](C)CC(C)(C)C)cc1 835065300 OFHHWPRPPCWVKH-KGLIPLIRSA-N 274.408 3.892 30 20 CHED N#CC1(c2ccc(-c3cccc4c3CNC4=O)cc2)CCC1 904903980 YVPDCPBJAVYFPK-UHFFFAOYSA-N 288.350 3.542 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(SC)cc1)c1ccncc1 734455578 IALMRDVKYVBJNI-MRXNPFEDSA-N 298.411 3.851 30 20 CHED N#CC1(CN[C@H](c2ccccc2)c2ccc(F)cn2)CCC1 903032928 MQZKNHMHGDZBMG-QGZVFWFLSA-N 295.361 3.594 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)C1CCC1 838965248 STBQHOQVLFWMKF-SKDRFNHKSA-N 296.292 3.713 30 20 CHED CC[C@@H](NC1CCC(COC)CC1)c1cccc(C#N)c1 903019500 NXNQCMUFUJDSLT-IUPXNIOVSA-N 286.419 3.804 30 20 CHED Cc1ccc(Cl)c(O[C@H](C)C(=O)OCCCCC#N)c1 733867321 XSOFLJCHARDWHL-GFCCVEGCSA-N 295.766 3.653 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(C)cnc1Cl 904799381 KKUIXYWBXMEKKE-JTQLQIEISA-N 252.745 3.584 30 20 CHED CCC#C[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 678745363 QEPAJDLKHALTFS-CABCVRRESA-N 289.419 3.935 30 20 CHED CC(C)ON=C(C[C@H]1CCCO1)c1ccc(F)cc1 835000038 HVDNIKIELMRGBW-CQSZACIVSA-N 265.328 3.524 30 20 CHED N#CCOc1cccc(/C=C2\Cc3cc(F)ccc3C2=O)c1 734307071 LIKXHGIGTRSRKQ-RIYZIHGNSA-N 293.297 3.550 30 20 CHED CC(CC(C)(C)C)=NNc1nccnc1C1CCC1 834979536 KWDXHHIUXFNAIR-UHFFFAOYSA-N 260.385 3.968 30 20 CHED C#CCCCCCC(=O)NC[C@H]1CCCCC1(F)F 833380822 ZRCIAVIHWBLEOY-CYBMUJFWSA-N 271.351 3.512 30 20 CHED COC[C@@H](SCC1(CC#N)CC1)c1ccccc1 901669509 UGFXGYXWRMQBDN-CQSZACIVSA-N 261.390 3.801 30 20 CHED C[C@H](CF)NC(=O)Nc1ccccc1C#Cc1ccccc1 672692769 PDLIAHGRCYSTTB-CQSZACIVSA-N 296.345 3.566 30 20 CHED COc1ccc(C=NNc2ccccc2)c(OC(F)F)c1 734091698 BXBDMILCYKFCKW-UHFFFAOYSA-N 292.285 3.743 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 673237609 IXFWCAWVEGCSRK-RYUDHWBXSA-N 286.350 3.914 30 20 CHED Cc1cc(C#N)ccc1Cn1ncc(Cl)c1C1CC1 596313767 WRVDSFVBCNIVHP-UHFFFAOYSA-N 271.751 3.642 30 20 CHED C=CCCSCCNC(=O)c1cc(F)ccc1Cl 597971934 MLECGNIRCJKXBJ-UHFFFAOYSA-N 287.787 3.518 30 20 CHED Cc1c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cnc2ccccc12 839051834 GRBSJJSQFNOKNI-KGLIPLIRSA-N 294.354 3.782 30 20 CHED C[C@@H](CC#N)NCc1oc2ccccc2c1Br 594613912 WSQXSQVYUHBSIY-VIFPVBQESA-N 293.164 3.587 30 20 CHED C#CCC[C@H](C)OC(=O)Cc1csc(-c2ccccc2)n1 839035727 ZNBMRZXUBMVBEZ-ZDUSSCGKSA-N 299.395 3.698 30 20 CHED C/C=C\C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915179826 JAPNMJWTWCDWSM-VEJWIWHQSA-N 276.339 3.857 30 20 CHED CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](CC#N)C1 595616735 WQBPIWGVBWVYED-XJKSGUPXSA-N 260.356 3.902 30 20 CHED C#CCCCCCC=NNc1nc2ccccc2n1C 834941224 WOACUNMVVSICHW-UHFFFAOYSA-N 268.364 3.555 30 20 CHED Cc1cccc(C)c1CN(CC(C)C)C(=O)CCCC#N 592672807 QLTZTSSJLPCOQL-UHFFFAOYSA-N 286.419 3.982 30 20 CHED C=CCCC(=O)Oc1ccc(OC)c2ccccc12 744319993 IIKUKOHIWFQGOV-UHFFFAOYSA-N 256.301 3.720 30 20 CHED N#Cc1nc(N2CCS[C@@H]3CCCC[C@H]32)sc1Cl 596154379 ISJGREAHKVEPEQ-NXEZZACHSA-N 299.852 3.533 30 20 CHED Cc1c(C(=O)N2CCC[C@H]3C[C@H]32)sc2ccc(C#N)cc12 590038653 ULZXMNBASZQVLC-GXTWGEPZSA-N 296.395 3.706 30 20 CHED N#Cc1ccc(-c2ccccc2C[C@@H]2CCCCN2)s1 593950914 BYSCUZVIVBBTTP-AWEZNQCLSA-N 282.412 3.971 30 20 CHED O=C(/C=C/c1cccnc1)c1sccc1Br 915113767 UNLOIIOZKUQXGV-ONEGZZNKSA-N 294.173 3.802 30 20 CHED CC[C@@H](OCCn1ccc(C#N)c1)c1ccccc1 593236324 CDWZTSUBQKMPLL-MRXNPFEDSA-N 254.333 3.528 30 20 CHED Cc1ccc(/C=C2/CCc3c(cnn3C)C2=O)c(Cl)c1 844547919 BRGZKBTWQQXICA-WQLSENKSSA-N 286.762 3.594 30 20 CHED CSc1ccc(F)cc1C/N=C/c1cccc(O)c1O 745977673 ZZXRGFNFCHHCKD-CAOOACKPSA-N 291.347 3.578 30 20 CHED FC(F)(F)c1cccc(C=NNc2ccccn2)c1 916276100 LABRNMKUVOYDCE-UHFFFAOYSA-N 265.238 3.546 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 597287388 SZBQTOXCKMMPEM-LSDHHAIUSA-N 276.424 3.936 30 20 CHED CC1(C)C(=NNc2ccccc2Cl)[C@H]2CCCO[C@@H]21 743420423 FLZAFBHQANFDFX-YGRLFVJLSA-N 278.783 3.943 30 20 CHED C=CCC[C@@H](NC[C@@]1(O)CCCc2ccccc21)C1CC1 747872120 SYKIYWSUNCTWGT-MOPGFXCFSA-N 285.431 3.545 30 20 CHED COCCON=C(C)c1ccc(-c2ccccc2F)s1 748791336 QSLNRWXQKCRSRK-UHFFFAOYSA-N 293.363 3.941 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(CC)[C@@H](C)C#N 598360847 WKFUATUYUDAYRT-ZFWWWQNUSA-N 264.413 3.744 30 20 CHED CC[C@@H]1CCC[C@H](/N=C/c2cccc(OC)c2O)C1 740764026 WGEBVFWIHBXOLL-MVCPHERQSA-N 261.365 3.789 30 20 CHED Cc1cc(CSc2cccnc2C#N)ccc1N(C)C 848439468 VBZYZKGNJBEOKD-UHFFFAOYSA-N 283.400 3.620 30 20 CHED N#Cc1ccc(CCN2CCC[C@@H]2c2cccs2)cc1 595288540 NJJWPGXQFORUSS-MRXNPFEDSA-N 282.412 3.999 30 20 CHED CCCn1nc(C)c(-c2ccc(CC#N)s2)c1C 596640446 JRJUGDPMKXGKHD-UHFFFAOYSA-N 259.378 3.705 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1c1cccc(C#N)n1 596317540 MMOMIEBWUWNSQR-MRXNPFEDSA-N 277.371 3.912 30 20 CHED O=[N+]([O-])c1ccc(C/N=C\c2cc(Cl)ccc2O)cc1 917558033 ZNBNFCOJLDZRPK-SXGWCWSVSA-N 290.706 3.573 30 20 CHED CCc1nc(Sc2cc(C)ncc2C#N)sc1C 593481397 GRQASAIKINDSKA-UHFFFAOYSA-N 275.402 3.740 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCCC(C)(C)C 594300319 TUVFGFFTZDMNFZ-AWEZNQCLSA-N 286.419 3.679 30 20 CHED N#Cc1c[nH]c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 748283176 KXLDXZBVAXYXMZ-UHFFFAOYSA-N 287.322 3.806 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C[C@H](C)C2CC2)cc1 847041853 DDPWGHBBTYTGMX-SUMWQHHRSA-N 284.403 3.708 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nc4ccccc4o3)C2)C1 590166077 OGDGFOJPIXYLEO-RBSFLKMASA-N 295.386 3.699 30 20 CHED COc1ccc(-c2ccc(C[C@H](O)C3CC3)cc2)c(C#N)c1 596639355 OSEZVNFJZHCIJJ-IBGZPJMESA-N 293.366 3.547 30 20 CHED CC(C)c1[nH]ccc1C(=O)OCC1(C#N)CCCCC1 845510223 VXSIYUDAVLPRIR-UHFFFAOYSA-N 274.364 3.769 30 20 CHED C[C@H](NC(=O)N1CCC[C@H](CC#N)C1)[C@@H](C)c1ccccc1 595536696 SQBMZRKJLTVOTB-OWCLPIDISA-N 299.418 3.514 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)cc2C)cc1 748933947 CERKXOWNLNLSMJ-UHFFFAOYSA-N 265.312 3.532 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)C#Cc1ccccc1)C1CC1 747371315 PLMSZYWHGQOLLQ-INIZCTEOSA-N 289.378 3.790 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H](C)C1CCCC1 748920096 DEJNIRFXUDGUSS-ZDUSSCGKSA-N 271.360 3.736 30 20 CHED CCC(=NNc1oc(C(C)(C)C)nc1C#N)[C@@H]1C[C@@H]1C 841621784 FVUSDSZHGUVFTM-VHSXEESVSA-N 274.368 3.678 30 20 CHED C=C(C)CCN[C@@H](C)c1cc(-c2ccccc2)no1 926519470 MJBRMQSLCSZJDO-ZDUSSCGKSA-N 256.349 3.958 30 20 CHED C=CCN(C(=O)/C=C\c1cccc(OCC)c1)C(C)C 859190582 UZAJUAHRJCBSFS-KHPPLWFESA-N 273.376 3.522 30 20 CHED Clc1cccc(CNN=C/C=C\c2ccco2)c1 756827861 ROONARSFHWCPMV-JYONOLKISA-N 260.724 3.722 30 20 CHED COc1ccc(CCC(C)=NO[C@H]2CCCCO2)cc1 755819322 DYFOQZPAJAWZRJ-INIZCTEOSA-N 277.364 3.547 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)c1 757477074 ZAYXMYLXJTXYPW-SOFGYWHQSA-N 284.359 3.617 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NOCC1CCC1 853439983 VDKKIWMWTYBDQH-UHFFFAOYSA-N 271.364 3.688 30 20 CHED CCc1ccc([C@@H](NCC2(C#N)CC2)c2cccnc2)cc1 926874355 PSVBDTDHGQLRLM-GOSISDBHSA-N 291.398 3.627 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc(F)c(Cl)c1 755602118 SFCDFBHHTKXJHY-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Cc1ccnc(NN=Cc2ccc(Cl)s2)c1 755907198 XRIWPSNFPLQQHO-UHFFFAOYSA-N 251.742 3.551 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1cc(F)ccc1F 757473645 FMMICMUAUSKENE-UTCJRWHESA-N 279.673 3.909 30 20 CHED C=C(Cl)CNC(=O)CCc1ccc(CC(C)C)cc1 751982790 QYYLFBZKPKRWEY-UHFFFAOYSA-N 279.811 3.686 30 20 CHED C=CCCNC(=O)Nc1ccc(SC(F)F)cc1 854149958 APTMDDHURFWIQV-UHFFFAOYSA-N 272.320 3.699 30 20 CHED C#CC[C@H](NC(=O)N1C[C@H](C)C[C@H]1CC)c1ccccc1 757063200 XRBIGAGNSJQGRW-OIISXLGYSA-N 284.403 3.581 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NN1CCCC[C@@H]1C 853380928 YDTCYRCYWPMNDB-AWEZNQCLSA-N 284.407 3.746 30 20 CHED CCC(=NO[C@@H]1CCCCO1)c1cccc(Cl)c1 755824584 WFMZMDOYKVOKHW-CQSZACIVSA-N 267.756 3.997 30 20 CHED C#Cc1cccc(NC(=O)NCC[C@@H](C)c2ccccc2)c1 750301725 KIRRKGXRMGHZGN-OAHLLOKOSA-N 292.382 3.983 30 20 CHED N#C[C@@H](c1ccccn1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 850757148 WYTLGYJMNHFFCC-JYJNAYRXSA-N 282.387 3.864 30 20 CHED C=CCCCCCn1ccc(=O)c2cnc(Cl)cc21 853719899 QPVZMBJEJAFFSY-UHFFFAOYSA-N 276.767 3.796 30 20 CHED C#C[C@H](N[C@H](C)c1cc2ccc(C)cc2o1)[C@@H]1CCCO1 756052896 GGCWUYGRVOLZGG-KBMXLJTQSA-N 283.371 3.573 30 20 CHED C[C@@H]1CN(C(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 931837661 KTWSXDDZHHQAEZ-BXUZGUMPSA-N 297.383 3.845 30 20 CHED C#CC[C@H](NC(=O)N1CCCC(C)(C)CC1)c1ccccc1 757771299 DFYUVYDNBZAMLN-KRWDZBQOSA-N 298.430 3.973 30 20 CHED Cc1ccc(C)c(C(=O)OC[C@H](C#N)Cc2ccccc2)c1 750783237 JELODEMWEFZSGU-KRWDZBQOSA-N 293.366 3.843 30 20 CHED COc1ccc(NN=C(C)c2ccc(C)cc2O)cc1 750921120 FFZZZSOZUYATAV-UHFFFAOYSA-N 270.332 3.545 30 20 CHED C#CCCN[C@H](Cc1ccccc1)c1cccs1 754366441 IGRHLXVJAODDMB-OAHLLOKOSA-N 255.386 3.645 30 20 CHED C#CCC1(C(=O)NCc2cccc(OC)c2C)CCCCC1 856352580 IQOUZIHRULYHPS-UHFFFAOYSA-N 299.414 3.594 30 20 CHED CCCC(=CC(=O)N1CCC[C@H](CC#N)C1)CCC 855254933 SWDQRPZZLIOPGC-OAHLLOKOSA-N 262.397 3.665 30 20 CHED CCCn1nccc1/C=C1\CCc2cc(F)ccc2C1=O 853005653 JZLNKZJRAPLOMD-ACCUITESSA-N 284.334 3.645 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccc(C#N)s2)[C@H](C)C1 750714288 VDXYLBUPNFCKNF-FOGDFJRCSA-N 263.362 3.601 30 20 CHED N#CCc1ccccc1CC(=O)OCC1CCCCCC1 759621306 QCSWWFBTKPFTBX-UHFFFAOYSA-N 285.387 3.809 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)OC1(C#N)CCC1 753987347 AIFHNUTWCVPZIG-KBPBESRZSA-N 283.371 3.965 30 20 CHED C#CCN(C(=O)Nc1cc(F)c(SC)c(F)c1)C(C)C 930792377 QVCWJEISEONPGW-UHFFFAOYSA-N 298.358 3.562 30 20 CHED N#Cc1cc(Cl)nc(NN=C[C@@H]2C[C@H]2c2ccccc2)c1 768376133 RCCXMYKODYAPSL-KBPBESRZSA-N 296.761 3.808 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OCCC)c(F)c2)CC1 932065415 NEDVZPGSDLHPJS-UHFFFAOYSA-N 292.354 3.798 30 20 CHED C=CCCCCNC(=S)Nc1cc(C)ccc1F 769760622 CJNJYEPLPZVZAT-UHFFFAOYSA-N 266.385 3.777 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(C(C)C)c2)nn1C 863195960 SUJJKQZEAVWBLR-CMDGGOBGSA-N 268.360 3.748 30 20 CHED CCOc1ccc(NCc2ccc(C#N)c(C)c2)cc1OC 767692001 RORWEDYMWGDQBQ-UHFFFAOYSA-N 296.370 3.886 30 20 CHED C=C[C@@H](CC)CC(=O)N(C1CC1)[C@H](C)c1ccco1 930515118 IRNXICSODGJRSA-OLZOCXBDSA-N 261.365 3.934 30 20 CHED C#CCN[C@@H](Cc1ccccc1)c1sccc1C 764599343 MLECIGIULPOGLH-HNNXBMFYSA-N 255.386 3.563 30 20 CHED C#CCC(C)(C)C(=O)OCc1cccc(OC(C)C)c1 767645021 TYTJNKSOHNXHII-UHFFFAOYSA-N 274.360 3.567 30 20 CHED C=CCc1ccc(OC(=O)c2ncccc2CC)c(OC)c1 766306309 GVWLIRKGNQOJEZ-UHFFFAOYSA-N 297.354 3.600 30 20 CHED Cc1ccc(F)c(NN=Cc2cnc(Cl)c(C)c2)c1 760261109 WVJBCLXQJNIPNK-UHFFFAOYSA-N 277.730 3.937 30 20 CHED C=C1CCN(C(=O)CC(C)(C)c2ccc(F)cc2)CC1 865178182 TXUJIORYECPUSH-UHFFFAOYSA-N 275.367 3.672 30 20 CHED N#Cc1ccc(COC(=O)c2ccoc2Cl)c(Cl)c1 764891503 GQBCGWYRGYRYJQ-UHFFFAOYSA-N 296.109 3.815 30 20 CHED N#Cc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)o1 1118365062 DDGZDQHRSPEJKD-UHFFFAOYSA-N 295.342 3.669 30 20 CHED Clc1ccc(CNN=CC2CCCCC2)cc1 764717812 IHUXWOIGXPUEOT-UHFFFAOYSA-N 250.773 3.996 30 20 CHED CC[C@H]1CCCC1=NNCc1cnc2ccccc2c1 764776357 YVEQXISMIVDNLV-AWEZNQCLSA-N 267.376 3.891 30 20 CHED CC(=O)[C@](C#N)(CCN1CC(C)(C)C[C@H]1C)c1ccccc1 878712521 YYCOEHCBSDHFQA-DNVCBOLYSA-N 298.430 3.547 30 20 CHED CC[C@@H]1C[C@@H](C)CN1CC[C@](C#N)(C(C)=O)c1ccccc1 878155122 KVSNRGMBBUFING-LZQZEXGQSA-N 298.430 3.547 30 20 CHED C=CCCCOC(=O)Cc1cccc(OCCC)c1 770202017 LKDFELZXFNGSOB-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CC(=NNc1nccnc1C(C)C)c1cccc(F)c1F 773086346 QEPKQHJLTAPRNR-UHFFFAOYSA-N 290.317 3.714 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C(/C)C(C)(C)C 778986427 IAEYDNRWCATLIW-YPKPFQOOSA-N 275.392 3.829 30 20 CHED COc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)ccc1C 773141430 ZRBKFIXINAKGHH-YVMONPNESA-N 294.350 3.930 30 20 CHED Cc1cccc(OCCC/N=C\c2cccc(O)c2O)c1C 775739524 GHVYMDMOYBXXLN-UNOMPAQXSA-N 299.370 3.603 30 20 CHED C#CCCN[C@H](C)c1ccc(OCCCCC)c(OC)c1 775113724 VURJEZKDIMJSOI-OAHLLOKOSA-N 289.419 3.938 30 20 CHED C=CCC[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 778320141 NRYXNHMOPIOLCC-CQSZACIVSA-N 270.332 3.672 30 20 CHED C=CCC[C@H](CC)N[C@H](C)[C@@H](O)c1cccc(F)c1 773038910 KODAXMRVGNSCDL-UHOFOFEASA-N 265.372 3.582 30 20 CHED C#CCCCCCCNc1ccc2c(c1)NC(=O)CC2 877161572 NYDJAHLXROZOMV-UHFFFAOYSA-N 270.376 3.567 30 20 CHED C=CCCCCNC(=O)/C=C/c1ccc2ccccc2n1 770083668 XIQVSVIMJQKYOY-OUKQBFOZSA-N 280.371 3.721 30 20 CHED COC[C@H](C)C(C)=NNc1ccnc2cc(Cl)ccc12 777879910 XISOOOHMKYNUSM-JTQLQIEISA-N 291.782 3.959 30 20 CHED CC(Cc1ccc(C(F)(F)F)cc1)=NN=c1cc[nH]cc1 779812662 WSECORWHJNPXOK-UHFFFAOYSA-N 293.292 3.553 30 20 CHED O=C1/C(=C\c2ccc(O)cc2)CCc2ccc(F)cc21 776192789 LKFHQRZLLCAIIE-LCYFTJDESA-N 268.287 3.744 30 20 CHED C=CCCc1ccccc1NC(=O)NCCC(F)F 1123418855 OXAMPNKLGMWBKH-UHFFFAOYSA-N 268.307 3.582 30 20 CHED C=C(C)CN1CCC(NC(=O)C=C(CCC)CCC)CC1 770740357 JMBKUUOLAKXYHZ-UHFFFAOYSA-N 292.467 3.670 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2c[nH]c(C#N)c2)cc1 779212565 KUCLBSZHAFLYOZ-SJORKVTESA-N 294.354 3.688 30 20 CHED C=C1CCC(C(=O)O[C@@H](C(C)=O)c2ccccc2)CC1 885649962 PITPFMXEOXHFOL-INIZCTEOSA-N 272.344 3.606 30 20 CHED Cc1ccc(F)c(COC(=O)c2ccc(F)c(C#N)c2)c1 1128936236 KKBDOWNOMSZHOM-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C[C@@H](OC(=O)c1ccnc(C2CC2)c1)c1ccc(C#N)cc1 783400343 INKUCGWFTGRACF-GFCCVEGCSA-N 292.338 3.749 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 1121035665 PIUUVONZAPEDSK-CYBMUJFWSA-N 278.421 3.644 30 20 CHED CC(C)(C)CCNN=Cc1nccc2ccccc12 782903147 QGAZRZBTUXWENT-UHFFFAOYSA-N 255.365 3.595 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NN[C@H]1CCOC(C)(C)C1 780252154 WXYXGMNBZXNELE-MCIONIFRSA-N 266.429 3.736 30 20 CHED C=CCCCCCOC(=O)Cc1cc2ccccc2nc1O 782936321 XJZZXYNHIODLCK-UHFFFAOYSA-N 299.370 3.773 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCCOc3ccccc32)cc1 1127192676 PRBZSAXEVOYDOQ-QGZVFWFLSA-N 293.322 3.629 30 20 CHED CO[C@@H]1Cc2ccc(NCCCC(C)(C)C#N)cc2C1 783898078 WWFULORDRDTZCB-MRXNPFEDSA-N 272.392 3.542 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cnn(C2CCC2)c1 899345630 QPWLZXSMSSKOFX-CLFYSBASSA-N 296.370 3.821 30 20 CHED CCCCCCCCN[C@H](c1cnn(C)c1)C(F)(F)F 783670344 LBGNJMSSAXNGIS-CYBMUJFWSA-N 291.361 3.974 30 20 CHED CCCCCCCC(=O)N1CCCc2nc(C#N)ccc21 892410370 KCPHLBNRNSTBLJ-UHFFFAOYSA-N 285.391 3.593 30 20 CHED CC(C)[C@@H]1CCCCC1=NN[C@H]1CCOC(C)(C)C1 780251003 RCWUBJILYALRLB-KBPBESRZSA-N 266.429 3.736 30 20 CHED COc1ncc(C(C)=NNc2ccc(C)cc2)cc1Cl 788929360 TWRBINMBBYUTSX-UHFFFAOYSA-N 289.766 3.888 30 20 CHED C=C1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 895710893 MBXSZVGVZTVUQJ-UHFFFAOYSA-N 298.430 3.649 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1cc(F)cc(F)c1 794941638 SWVOXUHOIDFSLY-ARJAWSKDSA-N 276.286 3.638 30 20 CHED CC(C)c1ncc(C=NN[C@H](C)C(C)(C)C)s1 793113683 BQLURNUOPUPNLH-SNVBAGLBSA-N 253.415 3.625 30 20 CHED C=CC[C@H](NC(=O)CC[C@H](C)CC)c1ccncc1 796483057 PRNZVQZSSOCUEC-HIFRSBDPSA-N 260.381 3.641 30 20 CHED N#Cc1ccc(NCC[C@@H]2C[C@H]3CC[C@H]2O3)c(Cl)c1 894159408 NOTJSKFVGPLXAE-LALPHHSUSA-N 276.767 3.581 30 20 CHED Cc1csc(NC(=O)NC[C@H]2CCCC2(C)C)c1C#N 1204888137 AXEDRPJFUKJNJT-LLVKDONJSA-N 291.420 3.876 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1ccc(C#N)cc1OC 796336041 QAIHNKSWQWFACG-KRWDZBQOSA-N 289.375 3.826 30 20 CHED C=CCOc1ccc(C/N=C/c2cc(OC)ccc2O)cc1 794682283 UHLKOFXYRGEIFT-CPNJWEJPSA-N 297.354 3.585 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1coc(C(C)C)n1 799480934 BTZOCYSTESYSTN-UHFFFAOYSA-N 278.743 3.683 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCCCc1ccccc1 799536905 JTFODODIJRTVEQ-OUKQBFOZSA-N 291.350 3.747 30 20 CHED CCCCO[C@@H]1CC(=NNc2ncccc2C)C1(C)C 790187096 SDRQDEVJDZPACK-CQSZACIVSA-N 275.396 3.773 30 20 CHED C=CC[C@H](NC(=O)c1nc(C(C)C)oc1C)c1ccncc1 796482760 OHNWFXWNRKIJNL-AWEZNQCLSA-N 299.374 3.549 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCC[C@H](C)C2)c1C#N 1306927671 FQTYHURDYCWPKB-GXSJLCMTSA-N 263.772 3.906 30 20 CHED CC(C)CN(CCC#N)CCSC1CCCCC1 800345739 FEJGTMBTHAISBP-UHFFFAOYSA-N 268.470 3.924 30 20 CHED Cc1nnc(Oc2cnc3c(C)cccc3c2)c(C#N)c1C 1163523341 KEWGQWFZMLLTPO-UHFFFAOYSA-N 290.326 3.614 30 20 CHED C[C@H]1CCCC[C@@H]1Nc1ncc(Br)cc1C#N 74370392 DWQGPMOADGEPKI-CABZTGNLSA-N 294.196 3.706 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1c1ncc(C#N)cc1Cl 1307116082 DXCNJBIBJRCKSF-JSGCOSHPSA-N 277.799 3.723 30 20 CHED N#Cc1cc(F)ccc1NC(=O)CCC1CCCC1 135152998 OJMJBKDVRYZCLC-UHFFFAOYSA-N 260.312 3.606 30 20 CHED COc1cccc([C@@H](C)Nc2nc(C)cc(C)c2C#N)c1 1317902815 MEFVZMRPNDGGPC-CYBMUJFWSA-N 281.359 3.752 30 20 CHED CN(CCc1ccccc1Cl)Cc1cccc(C#N)c1 58907333 DTYTWUHQAOHDLM-UHFFFAOYSA-N 284.790 3.886 30 20 CHED CCCCCCCCC(=O)N1CCN(C(C)(C)C)CC1 1317983545 YPXOSEIXYREZMS-UHFFFAOYSA-N 282.472 3.680 30 20 CHED C#CCCCCNC(=O)c1[nH]c2ccc(C)cc2c1Cl 1319268156 MAYPEQRGTIMJDA-UHFFFAOYSA-N 288.778 3.663 30 20 CHED C=CCCCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 735490078 CEUPLCBEIKMNTI-SJORKVTESA-N 259.393 3.541 30 20 CHED C[C@@H](CNc1c(F)cc(C#N)cc1F)C(C)(C)C 96609849 WFFXIZWYVIPIGN-VIFPVBQESA-N 252.308 3.931 30 20 CHED COc1ccnc(CSCCCC(C)(C)C#N)c1 1320278178 KCXAKTMCCYQPHR-UHFFFAOYSA-N 264.394 3.653 30 20 CHED CCc1ccsc1-c1nnc(-c2cccc(C#N)c2)o1 1322996985 NZKXKKHJRBIAMX-UHFFFAOYSA-N 281.340 3.899 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nnc([C@H](CC)c2ccccc2)o1 1327363491 IRYHNGGZRBPIDU-KFWWJZLASA-N 284.359 3.670 30 20 CHED CC(C)(CCC#N)CNCc1ccc(N2CCCC2)cc1 1323647964 JKMULWXGHGARKR-UHFFFAOYSA-N 285.435 3.706 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCC3)Cc2ccccc21 1322088367 HFCSLVCMRXGNLO-BOPFTXTBSA-N 260.336 3.998 30 20 CHED CC(C)n1ncc2c1[C@@H](/N=C\c1ccccc1O)CCC2 1320242546 SMMNZPZOWCDSGU-PACYTGELSA-N 283.375 3.666 30 20 CHED CC(C)(C)ON=CC1CCN(Cc2ccccc2)CC1 1327679746 IMFDTJKKQAUJFG-UHFFFAOYSA-N 274.408 3.700 30 20 CHED C[C@H]1CCC[C@@]1(C)c1nnc(-c2ccc(C#N)cc2)o1 1327866712 SQUBQJFVSOAGHF-MEDUHNTESA-N 267.332 3.686 30 20 CHED COCCC(Cc1cccc(F)c1)=NOC(C)(C)C 1323133152 SFAZXHWAFQASIE-UHFFFAOYSA-N 267.344 3.576 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2Nc2cccc(CC#N)n2)cc1 1322527290 VAVQLHREAVMOKK-DLBZAZTESA-N 293.370 3.514 30 20 CHED CCn1c(C)cc(-c2nnc(-c3ccc(C#N)cc3)o2)c1C 1322256367 JAQSLQFTWWNUGT-UHFFFAOYSA-N 292.342 3.714 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2ccccc2Cl)n1 195718678 OGCVGKNLOBJROD-UHFFFAOYSA-N 285.778 3.878 30 20 CHED CCO[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 721168437 OVTAPSIFJIAUQA-KBRIMQKVSA-N 272.392 3.557 30 20 CHED C=C(C)CCC(=O)N(CCOC)[C@@H](C)c1ccccc1 1337044847 UAPWPMUBSWGPCR-HNNXBMFYSA-N 275.392 3.579 30 20 CHED Cc1ccccc1CC(=O)Nc1ccc(Cl)cc1C#N 695728077 YSNIKADRHDRVNO-UHFFFAOYSA-N 284.746 3.701 30 20 CHED Cc1cc(OC[C@@H]2CCC3(CCCC3)O2)ccc1C#N 583008536 MXPIFIWQHNWWPB-INIZCTEOSA-N 271.360 3.737 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCCc1cc(C)sc1C 1338328919 NQTLNTUDBFIASW-HNNXBMFYSA-N 292.448 3.838 30 20 CHED C#CCCCCC(=O)Nc1cccc(OC(C)C)c1 1330678230 YNIALOCNODRUNA-UHFFFAOYSA-N 259.349 3.606 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C(C)=O)c(C)c1 1337552441 XJMSXYKNSZLDMU-INIZCTEOSA-N 285.387 3.768 30 20 CHED CC[C@@H](SC)C(=O)N(c1ccccc1C#N)C1CCC1 1331445512 GBGMFYXZGMFQOE-OAHLLOKOSA-N 288.416 3.585 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)CSC(C)(C)C 783586335 ADLQMIFOZMGDQH-LLVKDONJSA-N 278.421 3.899 30 20 CHED Cc1cc(CNCCCCOc2ccccc2)ccc1C#N 1256035504 OFTZWZDUPGLJLG-UHFFFAOYSA-N 294.398 3.816 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(C2CC2)cnc1Cl 1261335842 KVEYBZHGDNQGEM-UHFFFAOYSA-N 278.783 3.554 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(c2cc(C#N)cc(Cl)n2)C1 1348084294 NSQBUDZTIDOUDP-RISCZKNCSA-N 298.777 3.589 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2cccc(C)c2s1 1340891482 JCXCCZVTBRRJKW-CYBMUJFWSA-N 286.400 3.974 30 20 CHED N#CCc1cccc(N2CCC(C3CCCC3)CC2)n1 1342841600 IUERIHDVQSQKTM-UHFFFAOYSA-N 269.392 3.554 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 1199705632 POOSZNAYSAJCPN-LBPRGKRZSA-N 289.354 3.645 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)O[C@@H](CC#N)c1ccco1 1344935334 DWVNLIMLGYNQKF-HIFRSBDPSA-N 293.363 3.619 30 20 CHED C=C(C)CCC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 1353609862 WCVNOQYMPXAQHV-VXGBXAGGSA-N 277.330 3.828 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)CC2CCCCC2)cc1C#N 1525076180 VJIPSCOVWBIYJZ-AWEZNQCLSA-N 284.403 3.955 30 20 CHED CCN(C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H](C)C#N 1533560731 QLVRKQGGGOORJF-IJLUTSLNSA-N 290.329 3.506 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)O 1602747650 XWTAAOSWLHJOOP-VIFPVBQESA-N 281.739 3.579 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(C#N)cc1C(C)=O 1545002757 QLUGXQHZZRKFCF-AWEZNQCLSA-N 286.375 3.772 30 20 CHED C=C[C@@H](C(=O)Nc1cc(C2CCC2)nn1C)c1ccccc1 1548668942 HJXASPSHMWUXDG-OAHLLOKOSA-N 295.386 3.596 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H](C#N)c1ccccc1Cl 1548645627 CLOCDSPMHAYYLJ-AWEZNQCLSA-N 276.767 3.623 30 20 CHED CC(C)N1CCC(CCNc2cccc(F)c2C#N)CC1 1472844485 SHISMCQMBSVXJL-UHFFFAOYSA-N 289.398 3.620 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCC2 1559703787 OZLWVWVRZRNOEJ-IGCXYCKISA-N 254.377 3.518 30 20 CHED N#C[C@@H]1CCCN(CCSc2cccc(Cl)c2)C1 1560130497 RJBGUDDMMIJLGK-LBPRGKRZSA-N 280.824 3.668 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(Cl)c(F)c(C(=O)O)c1 1573346809 GSGNLAGXHNOSGE-QMMMGPOBSA-N 299.729 3.718 30 20 CHED N#CCc1cccc(NC(=O)c2cc3ccsc3[nH]2)c1 1640867527 BXCBACDMYFAIDS-UHFFFAOYSA-N 281.340 3.548 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1Nc1cccc(C#N)n1 1651482212 ASWDQZJHCKQZCK-ZFWWWQNUSA-N 257.381 3.970 30 20 CHED CCc1nc(C#N)cc(N(C)Cc2ccc(C(C)C)cc2)n1 1650442690 LZTGMCNEMZUHSS-UHFFFAOYSA-N 294.402 3.670 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC[C@@H](O)c1cccc(C#N)c1 1654231868 OZUMGCLLEZFNGK-BPQIPLTHSA-N 286.419 3.540 30 20 CHED CC(C)c1cccc(N(C)C(=O)Nc2ccnc(C#N)c2)c1 1679656876 OZQXZTPKDPZGTG-UHFFFAOYSA-N 294.358 3.745 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCc2ccc(F)cc21 1675086223 SORHGDIIHNIXSD-UHFFFAOYSA-N 295.317 3.600 30 20 CHED C=CC[C@]1(C(=O)O)CCN(Cc2c(C)cccc2Cl)C1 1776162143 UGGTZOFKWKGWSX-INIZCTEOSA-N 293.794 3.501 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C(=O)O)c1cccc(F)c1 1776180784 BYRTVXHTAFLSPE-KRWDZBQOSA-N 299.345 3.640 30 20 CHED CC(CCCc1cccnc1)=NNc1ccc(C(=O)O)cc1 1776012635 HVGBDGXYXAPTGX-UHFFFAOYSA-N 297.358 3.591 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@@H](CCC)c2ccccc2)C1 1776157958 DAPGWWVFNDQCLV-WMZOPIPTSA-N 287.403 3.881 30 20 CHED Cc1cc(C=NNc2ccc(F)c(C(=O)O)c2)c(C)s1 1776062036 ARTBHRMDWLOACL-UHFFFAOYSA-N 292.335 3.648 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1Cl 14686222 UCEHSEGHHGQFGN-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccc(C#N)cc1 16405938 LRBBHFHVYIYHEF-VAWYXSNFSA-N 277.323 3.853 30 20 CHED N#Cc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1Cl 150857832 CEPITIGNFPAISO-UHFFFAOYSA-N 289.766 3.620 30 20 CHED CC(=O)c1cc(F)ccc1OCc1ccc(C#N)cc1C 165696918 ORGQPFGSBRPJQS-UHFFFAOYSA-N 283.302 3.787 30 20 CHED N#Cc1cc(NCc2ncccc2F)ccc1C(F)(F)F 167258934 HHJCBEFRRUJAEV-UHFFFAOYSA-N 295.239 3.723 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1 205666984 ZVMOXKKRUVIDIB-YFHOEESVSA-N 283.302 3.680 30 20 CHED N#Cc1ccccc1CNc1c(F)cccc1N1CCCC1 153834845 RQYSJMOFDRWXAS-UHFFFAOYSA-N 295.361 3.910 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1ccccc1Cl 159112228 SIUJEUHWAKUEHE-LBPRGKRZSA-N 278.783 3.504 30 20 CHED C=C(Cl)CN1CCCc2c(Br)cccc21 1655079990 UWMRCVGANMYJCO-UHFFFAOYSA-N 286.600 3.954 30 20 CHED CCc1ccc(NCc2cccc(C#N)c2F)cc1 223729376 RQAXNHSXIFTVNF-UHFFFAOYSA-N 254.308 3.872 30 20 CHED Cc1ccc(CN(C)c2c(F)cc(C#N)cc2F)cc1 111141788 KTERXHRQQPEVBQ-UHFFFAOYSA-N 272.298 3.781 30 20 CHED N#CCCCCN1CCc2ccc(Br)cc21 112360503 XEHIQQUWNNGVDC-UHFFFAOYSA-N 279.181 3.505 30 20 CHED C=CCCOCCN[C@H]1CCCCc2ccccc21 229860402 PFBVGFUMJAPWNK-KRWDZBQOSA-N 259.393 3.636 30 20 CHED N#Cc1ccc(OCC(=O)c2ccc(F)cc2)c(Cl)c1 7855775 WNOBXVYFEMANBM-UHFFFAOYSA-N 289.693 3.612 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(C#N)c1 162589541 MKMQLWOVXDKMKT-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cccc(N(C)Cc2ccc(C#N)cc2F)c1 49986554 XXKHPQJZXSOXLI-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C=C(C)COc1cc(CN[C@H](C)CC)ccc1OC 57958924 ZEUINYCQDPGQIC-CYBMUJFWSA-N 263.381 3.538 30 20 CHED Cc1ccccc1[C@H](C)NCCc1cccc(C#N)c1 503581078 JAPBDVZXXOVMBR-HNNXBMFYSA-N 264.372 3.760 30 20 CHED Cc1nc(NCC=C(Cl)Cl)c(Cl)cc1C#N 407137934 GIVYCQZRSQSCOI-UHFFFAOYSA-N 276.554 3.646 30 20 CHED N#Cc1cnc(N2C3CCCC2CCC3)c(Cl)c1 610281137 XFPAUAPYXSQWJT-UHFFFAOYSA-N 261.756 3.518 30 20 CHED Cc1ccccc1NC(=O)N1CCC(CCC#N)CC1 335475582 JYPCMPZCYSJLAN-UHFFFAOYSA-N 271.364 3.543 30 20 CHED COc1ccc(C#N)cc1CN(C)Cc1sccc1C 383584116 NIAKBWAWZOVSJP-UHFFFAOYSA-N 286.400 3.569 30 20 CHED COc1cc(C=NNc2cccc(Cl)c2)ccc1O 916269349 IEHHNZXXFRHLDM-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C=C(Cl)CS[C@H](CC)C(=O)NCc1ccccc1 853783042 FQNLXOGLEZAXSL-CYBMUJFWSA-N 283.824 3.567 30 20 CHED N#Cc1ccnc(N2CCCC[C@@H]2c2ccco2)c1Cl 342408615 AISAFNDJTNTULE-GFCCVEGCSA-N 287.750 3.931 30 20 CHED C=CCCOC(=O)C[C@@H](c1ccccc1)C(F)(F)F 103646109 HYJOBWICKMNKDW-LBPRGKRZSA-N 272.266 3.842 30 20 CHED CCCCCCCCCC(=O)N(C)[C@H](C)CC#N 112733762 RAUFZECKGTWIQA-CQSZACIVSA-N 252.402 3.888 30 20 CHED O=C(/C=C/c1cccs1)c1ccc(F)cc1F 57435329 IDFWSUSPMMCLNB-GQCTYLIASA-N 250.269 3.922 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)c2cccc(F)c2)c1 172973696 FGTRCRAXWMHRQY-ZDUSSCGKSA-N 281.330 3.574 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C)c(OC(F)F)c1 114817161 VAEIBJVJHRDVIK-UHFFFAOYSA-N 296.317 3.802 30 20 CHED N#CCSCCCN(CC1CC1)c1ccccc1 177174991 HQDZGPIJSXEQAT-UHFFFAOYSA-N 260.406 3.550 30 20 CHED CC[C@@H](NCc1cccc(OCC#N)c1)c1ccccc1 51626911 MYUQPTUXVJGACG-GOSISDBHSA-N 280.371 3.830 30 20 CHED CCCCCCCC(=O)N(C)Cc1scnc1C 171687316 NPGUFSDNZQJYGG-UHFFFAOYSA-N 268.426 3.770 30 20 CHED Cc1ccc(Br)cc1OCC1(C#N)CCC1 418982920 BNWOOYYJQNARLC-UHFFFAOYSA-N 280.165 3.830 30 20 CHED Cc1cc(OCC2(C#N)CCC2)c(C)c(C)c1C#N 419019072 IVVKINZNEJTWAA-UHFFFAOYSA-N 254.333 3.556 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1cc(C#N)cs1)C1CC1 177046361 DCCQBMPDQANISJ-QWRGUYRKSA-N 276.405 3.659 30 20 CHED N#CC1(C(=O)NC[C@H]2CCCc3ccccc32)CCCCC1 57386235 YATDSFAJUNJMHT-MRXNPFEDSA-N 296.414 3.697 30 20 CHED CCCCCCCC(=O)N[C@H](CC(=O)O)c1ccccc1 59082240 ZSGQITGZXHPSFA-OAHLLOKOSA-N 291.391 3.679 30 20 CHED CCN(CCC#N)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 107781940 UARGGOSJIHAUPX-ROUUACIJSA-N 292.382 3.705 30 20 CHED CC[C@](C)(NCc1ccc(F)cc1C#N)c1nccs1 173500244 YUBATZYBSTWAJS-HNNXBMFYSA-N 289.379 3.569 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1 110577813 RLLBEVSCFJSNOV-MSOLQXFVSA-N 290.366 3.624 30 20 CHED CCN(C(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 111756567 HPALYKMSSYFMML-UHFFFAOYSA-N 289.354 3.884 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1ncc(-c2ccccc2)o1 301373386 UWUPNHUQMMWZMF-GFCCVEGCSA-N 290.326 3.781 30 20 CHED N#Cc1ccc(Oc2ccc(Oc3ncccn3)cc2)cc1 301487451 IOMSFVIXJKIDQB-UHFFFAOYSA-N 289.294 3.933 30 20 CHED CCc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1 113533487 XIJIWPAEPZFNAQ-UHFFFAOYSA-N 279.343 3.959 30 20 CHED C[C@@H]1Cc2ccccc2CN1CC(C)(C)CCC#N 179911675 ZENXWYJJQBHXMI-CQSZACIVSA-N 256.393 3.763 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1(c2cccc(F)c2)CC1 172067688 GRGMOTGYKCUESB-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C[C@@H](CC(=O)NCc1ccc(C#N)cc1)c1cccc(F)c1 115987937 KUIPADLPMLYVFM-ZDUSSCGKSA-N 296.345 3.507 30 20 CHED N#Cc1ccccc1OCCN(CC1CC1)C1CCCCC1 303193092 MRQMGEDBGUBKAG-UHFFFAOYSA-N 298.430 3.982 30 20 CHED CCOCc1ccc(Nc2cc(C#N)ccc2[N+](=O)[O-])cc1 302190541 BDSWCRBCCDLONY-UHFFFAOYSA-N 297.314 3.747 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1cc(F)ccc1C 177870854 OLLCMLWEFZHCAG-LLVKDONJSA-N 267.369 3.770 30 20 CHED Cc1ccc(N/C(N)=N/CCCSc2ccccc2)cc1 303718413 UZQOUBDWRZHFHF-UHFFFAOYSA-N 299.443 3.904 30 20 CHED C=C(Br)CN1CCC(CC)(CC)CC1 308571639 KPOOZRZJDLYGOI-UHFFFAOYSA-N 260.219 3.797 30 20 CHED C=CCOCCCC(=O)N(CC)c1ccc(C)cc1C 173693067 CPNJNOLPWNKDAU-UHFFFAOYSA-N 275.392 3.639 30 20 CHED CC[C@H](C)CSCC(=O)N(CCC#N)c1ccccc1 124430565 WCYTYADVSLKYPY-AWEZNQCLSA-N 290.432 3.713 30 20 CHED CCOc1ccc(Nc2c(C#N)cccc2C#N)cc1 302412244 HDWAIOYNLSTDTP-UHFFFAOYSA-N 263.300 3.572 30 20 CHED N#CC1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 123709943 VJGJYEMNJOCIHB-UHFFFAOYSA-N 286.272 3.580 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Oc2ccc3c(c2)CCC3)c1 302196771 FHJSDMMXIVMPBF-UHFFFAOYSA-N 280.283 3.747 30 20 CHED C=CCC[C@H](NC[C@H]1CCOc2ccccc21)C1CC1 121088798 HNKTXYSOIBJVBM-WBVHZDCISA-N 271.404 3.887 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2cccc(OCC#N)c2)o1 37069546 DGQWZIUGRQFOQD-BLLLJJGKSA-N 282.343 3.917 30 20 CHED CCC1CCC(N(C)C(=O)Cc2ccc(C#N)cc2)CC1 70158769 CPKWSHAZIIBZLC-UHFFFAOYSA-N 284.403 3.528 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2c(Cl)cccc2C1 188440333 XQIBQCQTEMVVBI-INIZCTEOSA-N 277.795 3.827 30 20 CHED C=CCC[C@H](NC[C@@H](C[C@@H](C)O)c1ccccc1)C1CC1 121667623 KLCSOJCJCDUCBI-LZQZEXGQSA-N 287.447 3.876 30 20 CHED CCCCOc1ccc(C(=O)N[C@@H](C)CC#N)c(Cl)c1 184340455 ANBUMJZXVAYGPU-NSHDSACASA-N 294.782 3.551 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1CC=CCC1 77642091 JPSCAKMQNXLXJS-ZDUSSCGKSA-N 276.405 3.554 30 20 CHED COC(C)(C)CNc1c(C#N)cnc2c(C)cc(C)cc12 78471229 HQSSLEVQJLPQAZ-UHFFFAOYSA-N 283.375 3.560 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccc(Cl)cc2[nH]1 410143738 SEWYAVUFGKVGTL-GFCCVEGCSA-N 276.767 3.906 30 20 CHED CC(C)c1ncc(/C=C/C(=O)c2cccc(O)c2)s1 125109667 AAMIHJZXHDHTSO-VOTSOKGWSA-N 273.357 3.868 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](C(=O)O)[C@H](C)C1 313740404 BVXOOUCOKKTSPK-HUUCEWRRSA-N 297.439 3.696 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C1CCCCC1 416095024 BOMHPUMJHCFIQJ-QGZVFWFLSA-N 282.387 3.632 30 20 CHED Cc1noc(C)c1[C@H](C)CNc1cccc(F)c1C#N 129423658 HXBQYYHLACAMGK-SECBINFHSA-N 273.311 3.518 30 20 CHED Cc1cnc(C(C)(C)NCCCC(C)(C)C#N)s1 183919472 TWKHWAHHBRUIOJ-UHFFFAOYSA-N 265.426 3.606 30 20 CHED Cc1ccc(C)c(CN2CCCC(C)(C)[C@H]2C#N)c1 444721781 GGQFDHSEOCGTOT-MRXNPFEDSA-N 256.393 3.818 30 20 CHED C[C@H]1C[C@@H](CCNC(=O)CC(C)(C)C#N)CC(C)(C)C1 509111677 NQMQADSUUVQOQN-UONOGXRCSA-N 278.440 3.895 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cccc(C(F)F)c1 410119428 DIKNCOJGCHILCX-ZDUSSCGKSA-N 267.319 3.638 30 20 CHED CC[C@H](CC#N)NC(=O)c1occc1-c1ccc(F)cc1 183946384 GWMGDJGISPOSOQ-CYBMUJFWSA-N 286.306 3.508 30 20 CHED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 185775633 SSKBNCUWPLMZKH-ZBFHGGJFSA-N 256.393 3.636 30 20 CHED Cc1cc(N[C@@H]2CCC[C@H](C#N)C2)cnc1Br 185896506 WAHJMMRFYHPRDX-WDEREUQCSA-N 294.196 3.647 30 20 CHED CCc1cc(C#N)c(NC(=O)CC(C)(C)CC)s1 75083294 VCMKNUMIOCEKEL-UHFFFAOYSA-N 264.394 3.947 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCCOc2ccc(F)cc2)C1 185775796 YLGSSAHMMPIKBO-GDBMZVCRSA-N 290.382 3.657 30 20 CHED O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1ccncc1 216150867 XWZDDYIJOZTAJP-RMKNXTFCSA-N 292.382 3.968 30 20 CHED Cc1ccsc1/C=C/C(=O)c1cccc(C#N)c1 128095577 YPDDGOAUBDQLFQ-AATRIKPKSA-N 253.326 3.824 30 20 CHED CC[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 74918500 OYRAQIZDYNUYNK-HUUCEWRRSA-N 299.418 3.841 30 20 CHED C=CCC(C)(C)CNCc1cccc(OC)c1OC(F)F 314419916 AIZWHQMCADYVPO-UHFFFAOYSA-N 299.361 3.989 30 20 CHED Cc1cc2occ(C(=O)O[C@@H]3CC[C@H](C#N)C3)c2cc1C 187537854 UNWDSKWCFYUCPD-QWHCGFSZSA-N 283.327 3.899 30 20 CHED C[C@@H](NCc1cccc(OCC#N)c1)c1ccc(F)cc1 37217310 GPTMEPFIWYZMRK-CYBMUJFWSA-N 284.334 3.579 30 20 CHED COc1cccc([C@@H](C)CC(=O)Nc2ccccc2C#N)c1 74625749 HDOUQOQLBIGCKF-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C)C1 412843555 SGCICOWGGQZQCX-USXIJHARSA-N 271.404 3.726 30 20 CHED C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 76085443 BVJBMISJFROQOW-ZDUSSCGKSA-N 279.343 3.635 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCc1csc(C)n1 182600347 JNUFAXVERJCRHS-LBPRGKRZSA-N 280.437 3.635 30 20 CHED CCOCCC1(CN[C@H]2CCC[C@H](C#N)C2)CCCC1 185855225 XLFLFUWPDCETRC-HOTGVXAUSA-N 278.440 3.645 30 20 CHED COCC(C)(C)NCc1ccc(-c2ccccc2C#N)cc1 411231487 RLHVPUDGMGZTDL-UHFFFAOYSA-N 294.398 3.740 30 20 CHED C=CCOCCSC[C@H]1CCC2(CCCCC2)O1 419465889 PVXMTCVZJJTMME-CQSZACIVSA-N 270.438 3.804 30 20 CHED CCSc1cccc(NCc2ccc(C#N)o2)c1 178234393 BAKBUOKKYPMSFP-UHFFFAOYSA-N 258.346 3.875 30 20 CHED CC(C)(C#N)CCCn1ccc(-c2ccccc2)n1 135501542 IMOFVIOGAUELOV-UHFFFAOYSA-N 253.349 3.880 30 20 CHED Cc1ccccc1[C@H]1CCN(C(=O)c2cc(C#N)cs2)C1 84091416 JJAMKRSKTDLNBX-AWEZNQCLSA-N 296.395 3.558 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1ccc(F)cc1C#N 226125851 VIELXKKNMJIACV-ZIAGYGMSSA-N 264.369 3.783 30 20 CHED Cc1nc(NCc2ccc(C#N)cc2)c2c(C)csc2n1 133434459 YXEXFQBCNPJUGH-UHFFFAOYSA-N 294.383 3.792 30 20 CHED C#CCN(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 195732879 SQLUODWASIRWNH-NSHDSACASA-N 255.283 3.722 30 20 CHED C=CCN(C(=O)c1cc(C)ccc1Br)C(C)C 130458664 FNYSOSUTWZMERC-UHFFFAOYSA-N 296.208 3.794 30 20 CHED CC1(/C(O)=N/Cc2noc(C3CC3)n2)CCCCCC1 329528112 UNRCPTWZDHNBBV-UHFFFAOYSA-N 277.368 3.764 30 20 CHED C[C@@H](SCCC(=O)NC(C)(C)C)c1cccc(C#N)c1 190889226 IGVTTWXHIZPJCI-GFCCVEGCSA-N 290.432 3.657 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)Nc1cccc2ccsc12 329740352 NZCXDKFUJRKCSL-RYUDHWBXSA-N 285.372 3.919 30 20 CHED Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)c(C)c1 43142699 QITWZNLAHHPIFW-UHFFFAOYSA-N 293.370 3.839 30 20 CHED CCc1cnccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 136340268 GFQQQWSTFFQTIS-UHFFFAOYSA-N 293.370 3.697 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@H](C)CC1 190925288 BHQLNTIRQJKTMM-UONOGXRCSA-N 252.402 3.563 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(SC(C)C)cc1 193485539 FNMYUAIIXBSUJU-CYBMUJFWSA-N 290.432 3.809 30 20 CHED C=CCCCCCNc1ccc(CS(C)(=O)=O)c(F)c1 195450687 GGPXXKSFUKHAFZ-UHFFFAOYSA-N 299.411 3.529 30 20 CHED C#CCCCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 192137869 UTKUZJKVCQHGJW-LJQANCHMSA-N 295.357 3.835 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SCC(=C)C 48053536 JWZYHPHNBNMYPG-UHFFFAOYSA-N 285.416 3.723 30 20 CHED O=C(/C=C/c1ccc(OCC2CC2)cc1)c1cccnc1 191206942 YPLTVNIERRXAHW-JXMROGBWSA-N 279.339 3.767 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(F)c1 45935050 GBFOJTYCGRFKGQ-UHFFFAOYSA-N 269.319 3.654 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(Br)o1 191463086 HDGHPETYQRMLGO-UHFFFAOYSA-N 291.148 3.834 30 20 CHED C=C(Br)CN[C@@H](C)[C@@H]1CC2CCC1CC2 382094575 JJRFFOBVBNFRDL-WTIISPKJSA-N 272.230 3.699 30 20 CHED Cn1ccc2cccc(NCc3ccc(C#N)cc3)c21 190802003 RJIXCQWGZBMAOM-UHFFFAOYSA-N 261.328 3.662 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(OC)cc1 518225313 KEDMLGYTQJZTQP-UHFFFAOYSA-N 281.399 3.926 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cscc2C#N)C1 334710766 PMVJATWRFGXLHV-BLLLJJGKSA-N 288.416 3.661 30 20 CHED CCCc1cc(=O)[nH]c(/C(=C/c2ccccc2C#N)CC)n1 193619888 VIWGHCZPYXVVDL-JLHYYAGUSA-N 293.370 3.545 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1C=CCCC1 425136404 WUYVWILNTYBEMC-GJZGRUSLSA-N 282.387 3.824 30 20 CHED CCOc1cc(CNCCCCC#N)cc(Cl)c1OC 237055068 MTUOLNKTPDBLBC-UHFFFAOYSA-N 296.798 3.531 30 20 CHED C[C@H]1CC(=O)Oc2cc(OCc3cccc(C#N)c3)ccc21 194666491 MMKKAZDWCKVYEO-LBPRGKRZSA-N 293.322 3.550 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(C#N)cc2Cl)on1 335849023 NDRPPNBBWOSDOR-UHFFFAOYSA-N 289.722 3.575 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(F)cc1F 424549174 VUNHDMWTSXYCSN-JTQLQIEISA-N 267.319 3.744 30 20 CHED CO[C@]1(C)CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 230264417 FSWKZYZEMNOLEA-CQSZACIVSA-N 298.308 3.582 30 20 CHED COCC[C@@H](c1ccccc1)N(C)Cc1cccc(C#N)c1 339864225 DCLQPKBFIJCBDM-IBGZPJMESA-N 294.398 3.768 30 20 CHED C[C@@]1(CNc2cccc(C#N)n2)C[C@@H]1c1ccccc1 338743789 SDFSODKKIRKCAQ-WBVHZDCISA-N 263.344 3.559 30 20 CHED CCN(C(=O)C=C(C)C)c1ccc(C#N)c(Cl)c1 91206791 ZMYQVCCMZKOSQB-UHFFFAOYSA-N 262.740 3.531 30 20 CHED CSc1ccc(C)c(N/C(O)=N/C[C@H]2CCCCO2)c1 330690049 QAZBSRUOXUZKGV-GFCCVEGCSA-N 294.420 3.612 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(C)c(C)n2)no1 424356409 BEVTYHQQABKSMG-UHFFFAOYSA-N 257.337 3.602 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1cccc(O)c1 96792659 FCWTUYPLFDKASY-KHPPLWFESA-N 268.312 3.687 30 20 CHED CC[C@H](/N=C(/O)c1coc2cc(C)c(C)cc12)[C@@H](C)O 331307506 BEPOPWAZGQYUPU-RISCZKNCSA-N 275.348 3.514 30 20 CHED C=CCN(Cc1ccccc1F)Cc1scnc1C 92404669 BAJTWLOZTHXNFH-UHFFFAOYSA-N 276.380 3.779 30 20 CHED CCN(Cc1cccn1CCC(C)C)C[C@@H](C)C#N 91984323 ZUDUZYQKKZNTHU-HNNXBMFYSA-N 261.413 3.516 30 20 CHED Cc1ncsc1C/N=C(/O)Nc1ncc(C(C)C)s1 331186428 TWHZHFKQPQWFTN-UHFFFAOYSA-N 296.421 3.558 30 20 CHED Cn1cc(CNc2cc(Cl)cc3cccnc23)cc1C#N 232314107 DRPKRGABCBQRLU-UHFFFAOYSA-N 296.761 3.710 30 20 CHED CCN(Cc1ncccc1C)[C@@H](C)c1ccc(C#N)cc1 93159760 LGJHPPJEYIQNDR-HNNXBMFYSA-N 279.387 3.845 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N2CCc3ccc(C#N)cc32)C1 339813949 QXSUOIJFJNJLAP-UONOGXRCSA-N 282.387 3.664 30 20 CHED C=CCN(C)Cc1cc(Cl)cc(C(F)(F)F)c1 437959591 TVPMYIQITCHGPZ-UHFFFAOYSA-N 263.690 3.977 30 20 CHED C=CCCCCCN(C)c1nnc(C2CC2)s1 432242378 ZJFGYYUQAYGNKQ-UHFFFAOYSA-N 251.399 3.598 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc2ccccc2n1)OCC 339424122 UAMWLQHWJUKIDP-OAHLLOKOSA-N 284.359 3.545 30 20 CHED Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c(F)c1 336502429 LGDIAXRRJLWWRI-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C=CC[C@@H](C)NC(=O)NCC(C)(C)c1cccc(Cl)c1 522589262 RGPQZEWCVSCYIQ-GFCCVEGCSA-N 294.826 3.881 30 20 CHED C[C@H](NCc1ccc(F)cc1)c1ccc(C#N)c(F)c1 346052186 UPBLKMYKJFJMHE-NSHDSACASA-N 272.298 3.687 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 247752303 UCASPMFXMLPGRW-GOSISDBHSA-N 290.366 3.811 30 20 CHED CCOc1ccc(/C=C\c2ccncc2C#N)cc1OCC 347446046 OSUOTVJBEABWJQ-ALCCZGGFSA-N 294.354 3.921 30 20 CHED CN(CCC1CCCCC1)C(=O)c1ccc(F)c(C#N)c1 346280979 KTHQEMHKARIDMU-UHFFFAOYSA-N 288.366 3.740 30 20 CHED C=C1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 346222526 TYTBTJNORPQXFW-UHFFFAOYSA-N 273.424 3.620 30 20 CHED CCc1ccccc1CNC(=O)Nc1cccc(C#N)c1C 431744079 YVTAPKODOBMZGF-UHFFFAOYSA-N 293.370 3.751 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)o1)c1cc2cccc(F)c2o1 349516637 GTUGRNSGYMMZKZ-VIFPVBQESA-N 298.273 3.528 30 20 CHED Cc1c(Cl)c(CN[C@H](C)CC#N)nc2ccccc12 602862918 KWXAZUYTUDEDEC-SNVBAGLBSA-N 273.767 3.588 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc2occc2c1 347600270 ZWAHMQKDHOXQPR-UHFFFAOYSA-N 276.339 3.936 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCCC[C@H]1C 431722865 AZSVYNYUYQETCH-IUODEOHRSA-N 285.391 3.815 30 20 CHED CC(C)OC(=O)[C@@H](C)C/N=C\c1c(O)ccc2ccccc12 255103786 ILSLTUZPTVFQQH-JFENUBAZSA-N 299.370 3.552 30 20 CHED C=CCCC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 524849278 OSFOJKIWHFSSIU-UHFFFAOYSA-N 257.377 3.761 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CSc2ccccc21 342736875 HOCCCBXFJVSWEU-CQSZACIVSA-N 273.401 3.718 30 20 CHED COc1ccc2ccccc2c1CN[C@@H]1CC[C@@H](C#N)C1 349803960 RTWOFBZIPBNBDT-UKRRQHHQSA-N 280.371 3.630 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](SCC)C(C)C)c1 608940410 BUWWVJZFWALNDF-HNNXBMFYSA-N 293.432 3.968 30 20 CHED CN(CCC1CCCCC1)C(=O)c1ccccc1CC#N 601030722 ZNVOBYAHWIZCLS-UHFFFAOYSA-N 284.403 3.795 30 20 CHED CC1(C)CCc2cccc(N[C@H]3CC[C@H](C#N)C3)c2O1 528010441 MJIZGAFSCNEKRC-JSGCOSHPSA-N 270.376 3.894 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1nc(C)ccc1C#N 520780118 DAZNPJXVEMIKDT-SDNWHVSQSA-N 277.371 3.801 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 602306446 DAFSKMCHQWBKRK-WDEREUQCSA-N 290.329 3.506 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@H](Cc3ccccc3)C2)c1 342957943 FRQNMSNDKSCYCP-NVXWUHKLSA-N 277.371 3.777 30 20 CHED C=CCOc1cccc(/C=C/c2ccncc2C#N)c1 349108018 KOXNTWVYEUPJPC-VOTSOKGWSA-N 262.312 3.688 30 20 CHED COc1ccc(O)c(C=Nc2ccc(SC)cc2)c1 255077902 OKRDDFCQOOZDLV-UHFFFAOYSA-N 273.357 3.873 30 20 CHED Cc1ccc(-c2nc(CNC[C@@H](C)CCC#N)co2)cc1 602561482 RBTONSIRDICINI-AWEZNQCLSA-N 283.375 3.680 30 20 CHED Cc1cccc2c1CCCN2Cc1ccc(C#N)cc1 609625830 HXLXOWRRZLOXKX-UHFFFAOYSA-N 262.356 3.820 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCC[C@@H]1C[C@H]2CC[C@H]1C2 602531037 VSQGQXNPFLCZOO-LTIDMASMSA-N 290.451 3.501 30 20 CHED CCO[C@H]1C[C@@H](NCc2ccc(C#N)c(C)c2)C12CCCC2 443993288 KYNPLJITDPXZPS-MSOLQXFVSA-N 298.430 3.694 30 20 CHED CC(C)c1cccc(N=Cc2ccc(O)c(O)c2O)c1 255356470 GGOPJLNOMUTLEG-UHFFFAOYSA-N 271.316 3.677 30 20 CHED N#Cc1n[nH]cc1NC(=O)c1ccc(C2CCCCC2)cc1 602361121 DMDMDHPYMFYHCO-UHFFFAOYSA-N 294.358 3.581 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1occc1C 348870004 RFDNTLLGJTVZIV-UHFFFAOYSA-N 287.407 3.944 30 20 CHED CC(C)(C)c1noc(CSc2ccc(C#N)cc2F)n1 525503877 IJUNMUYVUXHHSE-UHFFFAOYSA-N 291.351 3.670 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccccc1OC 606916587 KLANFIUQHPLYMV-UHFFFAOYSA-N 290.407 3.583 30 20 CHED Cn1ccnc1[C@@H](N[C@@H](CCC#N)c1ccccc1)C1CC1 602581803 KYWQQJWSHOTBGN-IRXDYDNUSA-N 294.402 3.506 30 20 CHED Cc1cc(OCCn2cc(C#N)c(C)n2)ccc1C(C)C 359393921 PLPFIVTXZQZRLQ-UHFFFAOYSA-N 283.375 3.574 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)C(=O)CC(C)(C)C#N 350789690 ZJNADQVHFVVKSR-NSHDSACASA-N 278.783 3.799 30 20 CHED C[C@@H](CCC#N)CN[C@H](CN1CCCCC1)c1ccccc1 602534685 JCUCJRYIDAJREB-PKOBYXMFSA-N 299.462 3.743 30 20 CHED N#Cc1cccnc1N[C@@H]1CCc2sc(Cl)cc21 357605887 YSOKOIGQEBFWQA-SNVBAGLBSA-N 275.764 3.768 30 20 CHED Cc1cc(NC(=O)NCC2(CC#N)CC2)cc(C)c1Cl 442500922 YRAXPSXLQHRIJX-UHFFFAOYSA-N 291.782 3.772 30 20 CHED CCCn1ccc2cc(NC(=O)N(C)C[C@H](C)C#N)ccc21 264108130 SNIHXTISYOPQHL-CYBMUJFWSA-N 298.390 3.675 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1C(=O)NCC(C)(C)C#N 611636900 DSMXRDAHQQLZNN-MRXNPFEDSA-N 299.418 3.501 30 20 CHED C[C@H](N=c1cc[nH]c2ccccc12)c1cccc(C#N)c1 610340471 ZTSSRKQTIFPYDB-ZDUSSCGKSA-N 273.339 3.701 30 20 CHED CC(C)CCC[C@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 612098479 QAZXRFFRHDBSCH-HOCLYGCPSA-N 279.428 3.536 30 20 CHED CC(C)OC(=O)c1ccc(COc2cccc(C#N)c2)cc1 446981810 AKVJDRRIGQVKPE-UHFFFAOYSA-N 295.338 3.702 30 20 CHED C=C[C@H](C)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 352755675 NEQAOPKJTNSXDE-NSHDSACASA-N 295.308 3.555 30 20 CHED CC(C)(C#N)CCN1Cc2ccccc2C(C)(C)C1 538468339 YYPFVVAKXXOITQ-UHFFFAOYSA-N 256.393 3.720 30 20 CHED C=CCCNc1ccc(NC(C)=O)cc1C(F)(F)F 265840372 NGIGEBAWZUFTDA-UHFFFAOYSA-N 272.270 3.652 30 20 CHED CC(C)Oc1cccc(OCc2cccc(C#N)c2)c1 537749751 ZWCOBXQDMIGJLD-UHFFFAOYSA-N 267.328 3.924 30 20 CHED CC[C@H](CC(F)(F)F)Nc1ncc(C#N)cc1Cl 354604651 MVQGIMMKACTYKR-MRVPVSSYSA-N 277.677 3.750 30 20 CHED N#CCSCCCN1CCCCc2sccc21 619553869 JAZUHPRTMYAYTQ-UHFFFAOYSA-N 266.435 3.538 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2ccccc2C1 618803400 WVWMXGBXFRBTEU-AZUAARDMSA-N 288.394 3.693 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 533692148 RHMWCPSSPYGILI-ZDUSSCGKSA-N 279.811 3.943 30 20 CHED Cc1cc(C)cc(C2(c3noc(CCCC#N)n3)CC2)c1 453317418 YOZMGHFKQWMODO-UHFFFAOYSA-N 281.359 3.613 30 20 CHED Cc1noc([C@H](C)S[C@@H](C)c2cccc(C#N)c2)n1 615465040 LLMRAZPZHMEVNQ-UWVGGRQHSA-N 273.361 3.805 30 20 CHED C=C(C)CCNC(=O)Nc1cc(Br)ccc1C 454515223 SCHSILFOTIOGKS-UHFFFAOYSA-N 297.196 3.845 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C#N)c(C#N)c2)C1(C)C 610207712 CPIDLXQTJYAYSB-HOTGVXAUSA-N 293.370 3.607 30 20 CHED C[C@H](NC[C@@H]1CC=CCC1)c1ccc(C#N)c(F)c1 539610281 TXVOHRNFFHZCGI-QWHCGFSZSA-N 258.340 3.704 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CC2(CCCC2)[C@H]1C(C)C 457105139 CJBIPOSEGRORHS-WBVHZDCISA-N 293.451 3.642 30 20 CHED CC[C@H](C)CCCCC(=O)N[C@@H](C#N)CC(C)C 612052321 JFFQSIPDEHQONH-UONOGXRCSA-N 252.402 3.647 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CC=CCC1 611510001 VTRHOSGBQASDMU-UHFFFAOYSA-N 269.735 3.526 30 20 CHED C[C@@]1(c2ccccc2)CCCN(C(=O)CCCC#N)CC1 360595788 LMROQXXXMIAXNM-GOSISDBHSA-N 284.403 3.651 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)C2(C#N)CCCCC2)c1C 361308811 GUIBDYMDNSXMMV-GFCCVEGCSA-N 288.395 3.575 30 20 CHED C=CCN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC1 271394809 RZXJWZOCGKZVJW-UHFFFAOYSA-N 268.719 3.661 30 20 CHED C[C@@H](CNCc1ccc(C#N)c(Cl)c1)C(C)(C)C 619847217 AOJUTPTWEGLPFQ-NSHDSACASA-N 264.800 3.983 30 20 CHED C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 279754088 YHTDFLCGMZTUGS-ZIAGYGMSSA-N 284.403 3.606 30 20 CHED CC[C@@H](CC#N)NCc1cnc(C2CCCCC2)s1 547285601 UJFLYFWJMQRXMP-ZDUSSCGKSA-N 277.437 3.973 30 20 CHED CCc1ccc([C@@H](C)CC(=O)NCC(C)(C)CC#N)cc1 457992464 KZTLCKUCORIHLS-AWEZNQCLSA-N 286.419 3.799 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 271432123 DWFOJVJLJKZGOR-ZIAGYGMSSA-N 289.423 3.832 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cc(C#N)ccc1OCCOC 541533937 LGLRBGXPTYSMPP-KGLIPLIRSA-N 288.391 3.596 30 20 CHED C=C(C)CCNC(=O)CCCCc1ccc(C)cc1 452726697 WAWJTAUOWUABBH-UHFFFAOYSA-N 259.393 3.790 30 20 CHED C[C@@H]1C[C@H](NCCCC#N)c2cccc(Br)c21 273314794 XTPJYCHGHCHZOZ-MFKMUULPSA-N 293.208 3.891 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)CCCc1ccccc1 540493158 UYPVOLZWEIYBOX-MRXNPFEDSA-N 286.419 3.796 30 20 CHED N#CCCCCN1CCC[C@H](OCc2ccccc2F)C1 366339248 KGBDXMNTCHBAAO-INIZCTEOSA-N 290.382 3.501 30 20 CHED CC[C@@H](CC(F)(F)F)N=c1ccc2cc(C#N)ccc2[nH]1 545469465 RBBOJGDJYDUVGX-LBPRGKRZSA-N 293.292 3.671 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@@H]1CCCc2sccc21 377087845 CYJCMTCHNVUSOM-CYBMUJFWSA-N 290.432 3.614 30 20 CHED CCCCCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 378359830 ZWTGJCSOXBGDPV-UHFFFAOYSA-N 282.387 3.754 30 20 CHED Cc1ccncc1[C@@H](C)NC1(c2cccc(C#N)c2)CC1 272204265 JPXTYDIYBPUEOQ-CQSZACIVSA-N 277.371 3.602 30 20 CHED Cc1cc2occ(C(=O)N[C@H](C#N)C(C)(C)C)c2cc1C 274585772 MBHGCXXZEZDQTI-OAHLLOKOSA-N 284.359 3.718 30 20 CHED CC(C)C[C@H]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462197858 VVXVUFPTRDKARY-GDBMZVCRSA-N 284.403 3.556 30 20 CHED C=CC1CCN(C(=O)C2CC(c3cccc(F)c3)C2)CC1 377613193 BQUHYAWNPCSRLT-UHFFFAOYSA-N 287.378 3.744 30 20 CHED C=CCC[C@@H](C)NCc1nn(-c2ccccc2)c2c1CCC2 542667517 PVRXOZOGXQTHAI-OAHLLOKOSA-N 295.430 3.805 30 20 CHED N#CCC[C@@H](C#N)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 282542289 WDKYAIGUFBBXHK-KANFNMMFSA-N 293.414 3.841 30 20 CHED COc1ccc(C[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)cc1 559105873 ITCKYVRSUMLDOI-OKZBNKHCSA-N 298.430 3.642 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@H](C(C)C)C1 555254674 UKRPYUVROOUULF-HNNXBMFYSA-N 290.455 3.535 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(-c2ccncc2)cc1 551364832 GDAPDKYHSGPISK-UHFFFAOYSA-N 294.398 3.967 30 20 CHED C=CCOCCN[C@@H](c1ccccc1F)C1CCCC1 559147067 LSMNSMLEYAYOOZ-QGZVFWFLSA-N 277.383 3.849 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(C)c(C(F)(F)F)c1 465172267 SACIDOAQNACIHO-SECBINFHSA-N 272.270 3.710 30 20 CHED C=CCCN(C)C(=O)[C@H](c1ccccc1)[C@@H](C)CC 468183323 OEWJNSIKLNTQRD-HOCLYGCPSA-N 259.393 3.851 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](C)C[C@H]1CC 460374540 LNRYKOYGCIDKTP-DZGCQCFKSA-N 288.439 3.747 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1 468923894 KGARVRQHQMMRGA-UHFFFAOYSA-N 293.370 3.941 30 20 CHED C=C(C)CN(CC)Cc1ccc(-c2cnn(C)c2)s1 559061409 RCHRHJVISQMSMX-UHFFFAOYSA-N 275.421 3.547 30 20 CHED C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)C(C)C 463254939 GXQWETNAMDWDLI-QGZVFWFLSA-N 271.404 3.702 30 20 CHED COCC(C)(C)CCCN[C@@H](C)c1ccc(C#N)c(F)c1 286864850 BIVIDLMEOHLUOZ-ZDUSSCGKSA-N 292.398 3.801 30 20 CHED C=CCC1(C(=O)NCC(=C)c2ccccc2)CCC1 288271934 RVCPSMAMZJOLHS-UHFFFAOYSA-N 255.361 3.562 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/CCc2ccc(O)cc2C1=O 281106327 YQPLXTHVKFZIJE-ZSOIEALJSA-N 296.370 3.691 30 20 CHED CC[C@H]1CCc2ccccc2N1C(=O)c1cc(C#N)oc1C 280931626 HKDDCHJUTOJDFG-AWEZNQCLSA-N 294.354 3.831 30 20 CHED C=CCOCCCN1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 470763819 GKCMSOZJUAXUHI-UONOGXRCSA-N 277.383 3.726 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC1(c2ccccc2)CCCCC1 552004982 NRSYMYJUEKCFKC-SFHVURJKSA-N 298.430 3.945 30 20 CHED Cc1nnc(SCC2(C#N)CCCC2)n1-c1ccccc1 806584735 RNBYMVDWINBDPY-UHFFFAOYSA-N 298.415 3.752 30 20 CHED Cc1cc(OC(=O)Cc2coc3ccccc23)ccc1C#N 808779621 IBJNNAPDUAJYAP-UHFFFAOYSA-N 291.306 3.761 30 20 CHED CC#CC(=O)N[C@H](CCC)c1ccc(Cl)c(Cl)c1 801143472 IWPWOOWMYBOUSA-CYBMUJFWSA-N 284.186 3.974 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2cccc(C)c2s1 808631284 YLRYTSQZOVIAMD-LLVKDONJSA-N 259.330 3.669 30 20 CHED COc1cccc(CCCNc2ccc(F)c(C#N)c2)c1 470547139 PTGGWDLKSLNJDO-UHFFFAOYSA-N 284.334 3.751 30 20 CHED C#Cc1ccc(CN[C@H](C)[C@H](OC)c2ccccc2F)cc1 809631973 KNCMDJMBJMSJJS-KUHUBIRLSA-N 297.373 3.673 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)C(C)(F)F 294027641 HHJDXVTXRAVSQX-SECBINFHSA-N 284.331 3.675 30 20 CHED CC(C)(C(=O)OCC1=CCCC1)c1cc(F)cc(C#N)c1 802825115 LHPLGQVVNQLZRR-UHFFFAOYSA-N 287.334 3.628 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)CCCC#N)c(C)c1 292718297 TYNIQRMVWQQYGS-AWEZNQCLSA-N 258.365 3.517 30 20 CHED Cc1cc(N(C)CCc2ccc(Cl)cc2)cc(C#N)n1 568494982 NWCRTNORPIXVLH-UHFFFAOYSA-N 285.778 3.594 30 20 CHED C=CCCc1noc([C@@H](C)Oc2cccc(C(C)=O)c2)n1 297357473 PPNHHJWSTUIQSH-GFCCVEGCSA-N 286.331 3.531 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)CC#N 566547109 QNIWJZBMEBYSAB-KGLIPLIRSA-N 279.428 3.584 30 20 CHED C=CCCCCNCc1nc2ccc(Cl)cc2n1C 472043872 RNYVAAYUIQEEJT-UHFFFAOYSA-N 277.799 3.673 30 20 CHED CCc1csc(NC(=O)c2ccc(C(C)(C)C#N)cc2)n1 475649565 LOTWZROTPHOGIM-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1CC 474090907 UYCTYPFXBXSUPF-CABCVRRESA-N 266.429 3.953 30 20 CHED C#C[C@@H](CC)NCc1ccc(-c2ccccc2F)o1 809686134 RXFAGNDRFIENDZ-LBPRGKRZSA-N 257.308 3.587 30 20 CHED C=CCOCC(=O)O[C@@H](CC(C)C)c1ccccc1OC 806089154 NIHKUCXAHMANSC-INIZCTEOSA-N 292.375 3.528 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCO[C@H](CCC)C1 805220584 XBUOPQDLAUDQRZ-HZPDHXFCSA-N 281.440 3.834 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](OCC)C2)CCCCC1 648191968 VNDVCBASNTUWAW-OAHLLOKOSA-N 279.424 3.541 30 20 CHED Cc1cscc1-c1noc(-c2ccccc2OCC#N)n1 809480966 XTIHCPRVZACMBH-UHFFFAOYSA-N 297.339 3.676 30 20 CHED C=CCCCCNCc1cccc(OC(F)F)c1 472056265 STCFIKSWLGIMIM-UHFFFAOYSA-N 255.308 3.734 30 20 CHED N#Cc1nccc(N[C@H](c2ccc(Cl)cc2)C2CCC2)n1 565221351 IJKPJCJAOUGMIR-INIZCTEOSA-N 298.777 3.955 30 20 CHED C=CCOCCCN(C)[C@H]1CCCc2cc(OC)ccc21 470727927 XEDPHMKECCSNAX-SFHVURJKSA-N 289.419 3.597 30 20 CHED CCC[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(F)c1 569653278 MNXWALLPOHGBIC-AWEZNQCLSA-N 289.354 3.884 30 20 CHED C[C@@H](N[C@@H]1CCc2nc(Cl)ccc21)c1cccc(C#N)c1 806141654 KSJREUQCHZKJKT-IAQYHMDHSA-N 297.789 3.945 30 20 CHED N#CCCCCCC(=O)Oc1ccc(Cl)cc1F 808009207 UGLXLVQIQCAOKH-UHFFFAOYSA-N 269.703 3.859 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H]2C[C@H]21 807022453 GRTRRNRNESJGRV-ZIAGYGMSSA-N 252.402 3.541 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)c1cc(C#N)c[nH]1 294158356 RWKWPZXTMGMNRE-CYBMUJFWSA-N 275.396 3.707 30 20 CHED C=CCCCCN1CCC(F)(c2cccnc2)CC1 562704206 JDPRBPPIDBVBNP-UHFFFAOYSA-N 262.372 3.699 30 20 CHED CCCCCCCC(=O)Nc1nc(C)cc(C2CC2)n1 813253826 UMKDMTNRXNJUFG-UHFFFAOYSA-N 275.396 3.961 30 20 CHED Cc1cc(F)ccc1C=NN[C@@H](C)COc1ccccc1 811668017 JHZHJXIFTGNSNV-AWEZNQCLSA-N 286.350 3.525 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1c1ccc(C)cc1 814918281 JWHZPGNWLDEAQY-AWEZNQCLSA-N 279.330 3.870 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc2[nH]ccc2c1 811649577 RCOBSPGAZIMRTD-HNNXBMFYSA-N 255.365 3.670 30 20 CHED CCCCC[C@](C)(CC)C(=O)N(C)CC(C)(C)C#N 817611391 IPAVODKCYPKPIP-INIZCTEOSA-N 266.429 3.991 30 20 CHED C=CCCC1(c2nc(-c3cccc(COC)c3)no2)CC1 564235641 KIEOHWOJJDWTLC-UHFFFAOYSA-N 284.359 3.881 30 20 CHED Clc1ccc(CN2CCC(=NOC3CCC3)CC2)cc1 812235766 AWJJTRJWFLDYDQ-UHFFFAOYSA-N 292.810 3.861 30 20 CHED C=C(C)CN1CCC(N[C@H]2CS[C@H](C(C)(C)C)C2)CC1 488433968 RXWZGNMICZUDDS-CVEARBPZSA-N 296.524 3.537 30 20 CHED CC#CCCNC(=O)N[C@@H](c1ccccc1Cl)C(C)C 483064315 VGJTXIIFPKVPIS-OAHLLOKOSA-N 292.810 3.750 30 20 CHED CCCCCCCC(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1 819260968 JEKMLPOHHMARCN-DLBZAZTESA-N 279.424 3.517 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1cc2c(s1)CCCCC2 573298195 PLLJOLMQKQTZKP-CQSZACIVSA-N 290.432 3.685 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 576885494 QDASSHASIUVJTG-KDOFPFPSSA-N 277.371 3.536 30 20 CHED COc1cc(F)cc(NN=C2CCC[C@@H]2C(C)(C)C#N)c1 814870556 IBAWBQBMWJEIKZ-AWEZNQCLSA-N 289.354 3.952 30 20 CHED CC(C)c1cccc(CNC(=O)[C@]2(C#N)CC23CCCC3)c1 579918521 LHZKYMRKQZXZHM-LJQANCHMSA-N 296.414 3.900 30 20 CHED COc1cc(NN=C2COc3ccccc32)ccc1Cl 814918337 LXPLWAFKRGWLAH-UHFFFAOYSA-N 288.734 3.557 30 20 CHED C#CCON=C(C)[C@H](C)Oc1ccc(Cl)cc1Cl 812233629 YAQHLOXGTWFURY-JTQLQIEISA-N 286.158 3.786 30 20 CHED C=CCCCCCCCNC1CCC2(CC1)OCCO2 810242444 CCZDNLYQTBLOHM-UHFFFAOYSA-N 281.440 3.788 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(N(C)C)cc2)cc1 814984733 GNMBUEQHDIEXJF-UHFFFAOYSA-N 297.402 3.987 30 20 CHED C#Cc1cccc(NC(=S)N(C)Cc2cccc(C)c2)c1 726472630 UUXDRSPOCXPYFR-UHFFFAOYSA-N 294.423 3.805 30 20 CHED Cc1cc(C)c2c(c1)N(C(=O)c1ccc(C#N)s1)CCC2 487325020 WQUKFBHVJGRCAP-UHFFFAOYSA-N 296.395 3.830 30 20 CHED C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)C1 813217655 ILEAOOIJGAVWLZ-FOGDFJRCSA-N 296.292 3.713 30 20 CHED C=CCC[C@@H](NC[C@]1(C)OCCc2sccc21)C1CC1 570977947 IHPLMRMRQCNRQS-WBVHZDCISA-N 291.460 3.870 30 20 CHED C=CCn1c(C)nnc1SC[C@@H](CC)CC(F)F 657229049 AKRINUHUUHNBRZ-JTQLQIEISA-N 275.368 3.546 30 20 CHED CN(C)c1ccc(/C=C2\CCOc3ccccc3C2=O)cc1 728441822 QTMBLICXOWMDEG-FYWRMAATSA-N 293.366 3.801 30 20 CHED CCC[C@H](C)CC(=O)Nc1ccc(C#N)cc1Cl 494610514 BAQJOMOHIHVDRW-JTQLQIEISA-N 264.756 3.976 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 491774305 CJVWYOHUOPYVEN-ZJUUUORDSA-N 284.186 3.577 30 20 CHED CC(C)c1ccccc1NC(=S)NN=Cc1cccnc1 727061953 RASQCZNBPSFDMC-UHFFFAOYSA-N 298.415 3.526 30 20 CHED C=CCN(CCc1ccco1)C(=O)CC1=CCCCC1 490263612 YPZCSHBZIVMLNL-UHFFFAOYSA-N 273.376 3.727 30 20 CHED CCCNN=C1CCc2c1ccc(Cl)c2Cl 729142192 NQLACSCENTUTIT-UHFFFAOYSA-N 257.164 3.643 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C\c2ccco2)c1 727331014 YSVWGTVKWQBQGH-HJWRWDBZSA-N 283.327 3.886 30 20 CHED CCc1oc2ccccc2c1CN(C)CC(C)(C)C#N 581087238 HMUNYHFRHMRCHF-UHFFFAOYSA-N 270.376 3.977 30 20 CHED C#C[C@H](NC1CCC(OC)CC1)c1ccc(Cl)cc1F 491734395 RVVHQXDVDATTCH-ZUEPYMLJSA-N 295.785 3.701 30 20 CHED C=CCCC[C@@H](C)Nc1nc(C2CCOCC2)ns1 663775304 HATQWEJPTSUTND-LLVKDONJSA-N 281.425 3.589 30 20 CHED CCN(CCCCC(C)(C)C#N)[C@H]1CCOC(C)(C)C1 583292007 PRZHIYDIKPQBGN-HNNXBMFYSA-N 280.456 3.986 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 823894415 PNWREMRLFRFFER-KBPBESRZSA-N 299.422 3.652 30 20 CHED CN(C(=O)/C=C/SCc1ccco1)c1ccccc1C#N 492206661 FSFWUDNVFWCQOU-CSKARUKUSA-N 298.367 3.561 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1cc(F)ccc1F 588618094 FEWUBVSHPSDVTR-YVMONPNESA-N 269.250 3.733 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)CCc1ccco1 663469975 MDHRBZZXLNBKPS-ZDUSSCGKSA-N 278.396 3.645 30 20 CHED C=CCCCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 828334295 RRUJLZNPGODUIV-LSDHHAIUSA-N 296.455 3.578 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 491197807 YDLOQDBTGVZCHD-AWEZNQCLSA-N 289.419 3.592 30 20 CHED Cc1ccccc1[C@H](Nc1ccnc(C#N)n1)C(C)(C)C 583641296 LQDCIUMAFFWOMJ-INIZCTEOSA-N 280.375 3.856 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cncs2)cc1C 735793196 TYCVDPRMHHNWCB-PLNGDYQASA-N 257.358 3.964 30 20 CHED COc1ccccc1C[C@@H](C)CC(=O)OCCCCC#N 730653406 FYCKYDYISIUKCK-CQSZACIVSA-N 289.375 3.501 30 20 CHED C=CCCC(=O)N1CCC[C@@]1(CCC)C(F)(F)F 499520330 LSICYQUYMCBYNK-LBPRGKRZSA-N 263.303 3.676 30 20 CHED C=CCCC[C@H](C)Nc1nc(C2CCOCC2)ns1 663775305 HATQWEJPTSUTND-NSHDSACASA-N 281.425 3.589 30 20 CHED N#Cc1ncccc1NCCc1c[nH]c2cc(Cl)ccc12 589567986 DHMQRJXHLKSKKO-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cc(Cl)c(Cl)cc1O 903106872 XLFMIVANCZWZLJ-MRVPVSSYSA-N 285.174 3.653 30 20 CHED C#CCC[C@@H](C)OC(=O)CCCc1c[nH]c2ccccc12 839032966 WKDBSPJPAOKEHZ-CQSZACIVSA-N 283.371 3.836 30 20 CHED C=CCC1(C(=O)OCc2cc(C)on2)CCCCC1 838150000 JBGVXBDVCZPGHL-UHFFFAOYSA-N 263.337 3.553 30 20 CHED C[C@H]1CC[C@@H](C)CC1=NNc1ncnc2sccc12 834936139 SPVRJPBOWMXLIL-ZJUUUORDSA-N 274.393 3.915 30 20 CHED COc1cc(C)c(C(C)=NNCc2ccccc2)cc1OC 731314404 LGFYHBKLQPELFG-UHFFFAOYSA-N 298.386 3.526 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(N2CCCCC2=O)cc1 839605243 IDPYZCQOFWAGLC-CYBMUJFWSA-N 292.810 3.607 30 20 CHED CCN(CC)Cc1ccccc1C/N=C/c1ccccc1O 730547902 AAFBFKYLKUEXJS-XSFVSMFZSA-N 296.414 3.853 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1cccc(C(F)(F)F)c1 837313534 MGMSFIRYTRTBAZ-NSHDSACASA-N 297.320 3.932 30 20 CHED N#C[C@H](CCc1ccccc1)SCc1ccncc1 901632071 VBESBGNSXXRCIK-INIZCTEOSA-N 268.385 3.840 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C#CC1CC1 837451904 NPSZIKFROVKOOZ-OLZOCXBDSA-N 289.806 3.704 30 20 CHED C=CC[C@@H](NC(=O)NCc1cccc(C)c1)c1ccncc1 734656178 BXZCDCHOBXHOOJ-QGZVFWFLSA-N 295.386 3.507 30 20 CHED Cc1cccc(/C=C/C(=O)c2cccc(O)c2)c1C 731156607 IFZVGLIFBFNGBJ-MDZDMXLPSA-N 252.313 3.905 30 20 CHED CC1CCC(=CC(=O)Nc2cccc(CC#N)c2)CC1 837071876 MIODPWCMCAFMOT-UHFFFAOYSA-N 268.360 3.828 30 20 CHED C=CC[C@@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1ccncc1 734682391 COWYNHOIYVTAHN-DZGCQCFKSA-N 299.374 3.694 30 20 CHED CC(=NOC(C)C)c1ccc(-c2ccncc2)cc1 835001221 WILKNVJQSRTNFK-UHFFFAOYSA-N 254.333 3.898 30 20 CHED C/C=C\C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 915859995 BKQDLOZNNHOTGZ-HYXAFXHYSA-N 293.326 3.569 30 20 CHED C=CCCCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 749032363 FFXLEBFOJOWPBC-LLVKDONJSA-N 288.347 3.968 30 20 CHED CC(=NNc1cccc(Cl)c1)c1ccccc1O 916269457 PTUWEDRMFVBJNN-UHFFFAOYSA-N 260.724 3.882 30 20 CHED Oc1cccc(/C=N\C[C@H]2CCCc3ccccc32)c1O 912961537 BJKSSJLKGPVMSM-VCRXTVNUSA-N 281.355 3.637 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@@H]4CCCC[C@@H]43)c2c1 596294522 LPHSXELSXSFUJV-GUYCJALGSA-N 277.371 3.794 30 20 CHED CC1(C)CN(C(=O)[C@]2(C#N)CC23CCCC3)c2ccccc21 590677609 DEZOWGGILSBVFX-LJQANCHMSA-N 294.398 3.785 30 20 CHED C=CCCCC(=O)OCC(=O)c1ccc(F)c(Cl)c1 748227907 WBZRCUSRKYLRLV-UHFFFAOYSA-N 284.714 3.561 30 20 CHED Cc1ccc(-c2cncc(OC(C)C)c2)c(C#N)c1 592989064 PZNKEGXKSJEKKJ-UHFFFAOYSA-N 252.317 3.716 30 20 CHED CC(CCc1cccc(C)c1)=NN=C(C)c1cnccn1 745200583 ACLCITITHQOAPU-UHFFFAOYSA-N 280.375 3.603 30 20 CHED COc1cccc(C=NNc2ccc3ccccc3n2)c1 916286387 AFFQSTBSWFKPNJ-UHFFFAOYSA-N 277.327 3.689 30 20 CHED C#C[C@H](CC)NC(=N)Nc1cccc(Oc2ccccc2)c1 849097295 NGPTXCOMOIQZCO-CQSZACIVSA-N 293.370 3.827 30 20 CHED C/C(=C\C(=O)OCc1cn2ccccc2c1C#N)C(C)(C)C 745596651 DBBLUULXWWVPGG-UKTHLTGXSA-N 296.370 3.847 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H](C)c2ccccc2)n1 741763859 HZULCHULAJVARG-JTQLQIEISA-N 274.755 3.640 30 20 CHED CC[C@@H]1CCC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 740763279 FGKDOUKMUXFLBT-DORGZDKSSA-N 276.336 3.688 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(CC)o1 595061067 XYDRAKPVUXQHAV-LBPRGKRZSA-N 253.411 3.802 30 20 CHED Cc1ccc(NC(=S)N2CCC[C@H](CC#N)C2)c(C)c1 849271408 JFNBBMWPUOGLKC-CQSZACIVSA-N 287.432 3.626 30 20 CHED C=CCNC(=S)N(CCC)[C@H](CC)c1ccccc1 745680023 UDXIXDAPEXCUCF-OAHLLOKOSA-N 276.449 3.910 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2Cc3cccc(F)c3C2)n1 591181391 VQOUKOUFDJSRDK-UHFFFAOYSA-N 295.361 3.910 30 20 CHED Cc1nc(Cl)cc(Sc2ccc(C#N)cc2F)n1 742418018 JNUXRVCJBDRRLQ-UHFFFAOYSA-N 279.727 3.600 30 20 CHED CCCC(=NNC[C@@H]1CCSC1)[C@H]1CC1(C)C 841638282 ASWPCFPNZJIJTF-NWDGAFQWSA-N 254.443 3.531 30 20 CHED C=CCCC[C@@H](C)OC(=O)CCCc1cccnc1 849861154 SURXVLREPQIVJE-CQSZACIVSA-N 261.365 3.692 30 20 CHED C=CCOCCCC(=O)OCc1ccc2ccccc2c1 745530773 UXAWUZMPPBHIGP-UHFFFAOYSA-N 284.355 3.866 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc2c(c1)COC2 742436212 HCEUGGNFXUVSFQ-FPLPWBNLSA-N 295.294 3.521 30 20 CHED CSc1ccccc1NC(=O)N1CCC[C@H](CC#N)C1 596633894 QZFUHLRMKINDOS-GFCCVEGCSA-N 289.404 3.566 30 20 CHED CC[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccccn1 910342223 IHLBUYXGSGNIHE-AWEZNQCLSA-N 285.391 3.513 30 20 CHED CC(C)(CC#N)CNc1ccnc2c(F)cccc12 840332429 BFNRSEGWQVTZAO-UHFFFAOYSA-N 257.312 3.726 30 20 CHED Oc1ccc(/C=N/Cc2csc3ccccc23)c(O)c1O 915982320 WVOFZOCLYSBHQO-REZTVBANSA-N 299.351 3.637 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)C=C1CCCC1 917603259 HNJDMWCKVZFNBS-UHFFFAOYSA-N 291.734 3.626 30 20 CHED C[C@@H](CC(=O)NCCC#C[Si](C)(C)C)c1ccccc1 912335790 IULICTDQJNUIMY-HNNXBMFYSA-N 287.479 3.567 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)NCC1(C#N)CCC1 841466960 KWOMBIWIOKAHIU-XFXZXTDPSA-N 288.778 3.553 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC1(C2CCC2)CC1 593716399 BNFIPYFOMZEEPZ-QGZVFWFLSA-N 266.388 3.858 30 20 CHED C=CC[C@H](OC(=O)C[C@@H](C)c1cnn(C)c1)c1ccccc1 842339144 KUYNRBXYRBSCAF-PBHICJAKSA-N 298.386 3.774 30 20 CHED Cc1cccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 748677462 NRTPIGMRZHRJDP-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED Cc1cc(N(C)C)ccc1CN(CCC#N)Cc1ccco1 840908948 ZBDNETWABOZVEQ-UHFFFAOYSA-N 297.402 3.570 30 20 CHED C=CCOCCCC(=O)Oc1ccc(C)c(Cl)c1 841330793 IXNMWWZGCNJHNW-UHFFFAOYSA-N 268.740 3.537 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc2c(c1)CCC(=O)N2 924697190 PSRQPWZKJPBFNF-OLZOCXBDSA-N 299.418 3.550 30 20 CHED N#Cc1sc(N2CCSC3(CCC3)CC2)nc1Cl 840357118 OVGGQGZQYGXLRW-UHFFFAOYSA-N 299.852 3.534 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1sccc1Cl 851204062 IRURXMFGFNNBBI-QMMMGPOBSA-N 271.769 3.887 30 20 CHED COc1ccc2ccccc2c1CCN[C@H]1CC[C@H](C#N)C1 926912244 RWGMXVJEWGVTCK-HOCLYGCPSA-N 294.398 3.673 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OC(C)C)cc1C 682414727 JYCCUDKQZKNFJX-UHFFFAOYSA-N 276.380 3.822 30 20 CHED C[C@H](/N=C\c1cccc(O)c1O)c1ccc(F)cc1F 752152253 GADRIYKPYCUFOU-QNNPZSRPSA-N 277.270 3.556 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cc2cccc(Cl)c2o1 753289802 GFTKBSZGCYICJH-OAHLLOKOSA-N 290.750 3.754 30 20 CHED N#Cc1ccc(C=NNc2cccc(Cl)c2F)cc1 921137936 USBDJAJQEMLWQZ-UHFFFAOYSA-N 273.698 3.797 30 20 CHED COC[C@H](C)NN=C1CCC[C@H]1c1ccccc1Cl 758126175 HPUNSWIYRRBTOW-AAEUAGOBSA-N 280.799 3.588 30 20 CHED CSc1ccsc1C(=O)O[C@H](C)CC(C)(C)C#N 851209157 CDNRTAMCJZIIIC-SECBINFHSA-N 283.418 3.955 30 20 CHED CC(C)C(=NNc1ccc([N+](=O)[O-])cc1F)C1CC1 853397101 WHKQLLSMOIUEAN-UHFFFAOYSA-N 265.288 3.568 30 20 CHED C=C[C@@H](OC(=O)COC(C)(C)CC)c1ccccc1 851451716 LBRJRWFZIULOAJ-CQSZACIVSA-N 262.349 3.662 30 20 CHED CC1(C)CCC/C(=C/c2cccc3c2OCO3)C1=O 757535373 RNKWVKNBXGSZFM-XFXZXTDPSA-N 258.317 3.578 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc2cc(OC)ccc2[nH]1 935608014 GHEZASHCLGSNKR-NSHDSACASA-N 272.348 3.717 30 20 CHED COC1(C(C)=NNc2ccc3ccccc3n2)CCC1 853260542 YALVLPAENIMFGE-UHFFFAOYSA-N 269.348 3.592 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@@H](C)c1ccc(OC)cc1 860200454 VLPFFHGRHKVMHJ-CYBMUJFWSA-N 289.375 3.672 30 20 CHED CCOc1cccc(C=NNc2ncnc3ccsc23)c1 764836133 UVJKJYAMTVLGBA-UHFFFAOYSA-N 298.371 3.536 30 20 CHED FC(F)(F)CON=C1CCC[C@H]1Cc1ccccc1 764847508 SYDAQOHIIDDZAS-LBPRGKRZSA-N 271.282 3.964 30 20 CHED C[C@]1(C(=O)OCc2cc(F)ccc2C#N)C[C@H]2CC[C@H]1C2 860189107 GLJNTAFTCPSHIY-YLVFBTJISA-N 287.334 3.567 30 20 CHED CCC(C)(C)CCOC(=O)Cc1cccc(OCC#N)c1 760641556 XMPFXOFUHVZKTR-UHFFFAOYSA-N 289.375 3.501 30 20 CHED CCC(CC)n1ccc(C(=O)Oc2ccc(C#N)c(C)c2)n1 765112644 FEQJMQIWZGTNQO-UHFFFAOYSA-N 297.358 3.644 30 20 CHED CC#CCCOC(=O)c1cccc(-c2ccccn2)c1C 760277495 YFMIFDXAZQVBGW-UHFFFAOYSA-N 279.339 3.627 30 20 CHED CCCCCCCCCN(C)C[C@H]1CC2(CC2)C(=O)O1 763673956 VITJGFBOOKOKSI-OAHLLOKOSA-N 281.440 3.765 30 20 CHED CCCCc1nnc(S)n1N=C[C@@H]1CCC[C@@H](C)C1 768351371 FPLMRNDDFQXTLB-VXGBXAGGSA-N 280.441 3.570 30 20 CHED N#Cc1cccc(CSc2ccc(Cl)cn2)c1 70211218 MPHGCFGYMDEZCL-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C#CCOc1cccc(OCc2ncc(C(C)(C)C)o2)c1 760439051 XSBMTLWOWCQQER-UHFFFAOYSA-N 285.343 3.563 30 20 CHED CCC[C@@H]1CCCCN1C(=O)c1cc(C#N)ccc1C 935376947 LOMAZJMYBQTSEK-OAHLLOKOSA-N 270.376 3.662 30 20 CHED C=CCCC(=O)COC(=O)CCc1ccc(C)c(Cl)c1 761369646 FFZFVXYHVWTRGR-UHFFFAOYSA-N 294.778 3.660 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 767244452 YBKSGBDXIFIWLN-QWRGUYRKSA-N 298.213 3.652 30 20 CHED N#CCOC(=O)C1(c2cccc(Cl)c2)CCCCC1 864097746 RXLUDKQLBDWBBX-UHFFFAOYSA-N 277.751 3.609 30 20 CHED Cc1ccc(N2CCN(CCCCC(C)(C)C#N)CC2)cc1 769793064 CHRFWVCGUFADTI-UHFFFAOYSA-N 299.462 3.837 30 20 CHED CCCCCCCNC(=O)c1nc(C(C)C)oc1C 862356026 SQIARIAAPPLRKR-UHFFFAOYSA-N 266.385 3.807 30 20 CHED CCC(=NNc1ccc(C)nn1)c1c(F)cccc1Cl 767783269 SYNBIPSYXPOPJH-UHFFFAOYSA-N 292.745 3.804 30 20 CHED CCC[C@H](CC)C(=O)[C@H](C#N)c1cnc2ccccc2n1 873523403 JYEZQIZMRVLXML-QWHCGFSZSA-N 281.359 3.632 30 20 CHED CC(=O)CC(C)(C)CC(=O)OCCCCC(C)(C)C#N 768892715 QYSYSMVMEMOAMY-UHFFFAOYSA-N 281.396 3.645 30 20 CHED CCCCCCc1nnc(-c2ccc(C#N)cc2)o1 1117213901 AJAGLYJSXGUFMZ-UHFFFAOYSA-N 255.321 3.731 30 20 CHED CC[C@H](NCCOc1cccc(C#N)c1)c1ccc(F)cc1 1116554973 AIQBCCMPNNCFPZ-SFHVURJKSA-N 298.361 3.817 30 20 CHED COC[C@H](C)NN=Cc1ccc(-c2cccc(F)c2)s1 777890747 IBULIKCWTPPIDK-NSHDSACASA-N 292.379 3.513 30 20 CHED Cc1ccc2cc(C(=O)OCCCC(C)(C)C#N)[nH]c2c1 775230060 DVPSDMIUJDBUIO-UHFFFAOYSA-N 284.359 3.963 30 20 CHED CCCC[C@H](CCC)OC(=O)c1ccc(C#N)c(C)n1 1116002447 MOKQRHJEQWREHM-AWEZNQCLSA-N 274.364 3.777 30 20 CHED CS[C@@H]1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 775392060 HEVBUEDWEUCYSV-BFYDXBDKSA-N 286.444 3.809 30 20 CHED N#Cc1ccc(C=NNc2ccc3ccccc3n2)c(F)c1 772829996 FQJZLTOHTXGLGC-UHFFFAOYSA-N 290.301 3.692 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1c(F)cccc1F 777913748 QQCTUURVSGTDAO-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1ccc(C#N)cc1 773068690 OFXIQXNUFWJBMO-UHFFFAOYSA-N 279.343 3.793 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1cc(C)c(OC)cc1C 770028419 QNIQIECFBPSYSL-CQSZACIVSA-N 288.387 3.966 30 20 CHED Cc1ccc(F)c(C(=O)O[C@H](C#N)C2CCCCC2)c1 776383837 RTMOKZJAXWWPKG-OAHLLOKOSA-N 275.323 3.763 30 20 CHED CCCCCCCCNC(=O)c1ccc(C(C)=O)o1 772433108 KPUOESNJTYTVJN-UHFFFAOYSA-N 265.353 3.573 30 20 CHED CCOc1cccc(C=NNc2cc(Cl)ccn2)c1 777905704 NRCBWHVLXNSYCX-UHFFFAOYSA-N 275.739 3.580 30 20 CHED Cc1cc(CCCC(=O)OCC2(C#N)CC2)c(C)s1 775864555 NCNODSMQHDARCR-UHFFFAOYSA-N 277.389 3.535 30 20 CHED Clc1ccc(NN=C2CCCNc3ccccc32)cn1 774395392 YSPCRSXDOQYQOB-UHFFFAOYSA-N 286.766 3.757 30 20 CHED Fc1ccc(/C=C/C=NNc2ccc3[nH]ncc3c2)cc1 779811108 DVBMCLCDFSDYGT-HSWNSSPZSA-N 280.306 3.813 30 20 CHED C=CCCCC[C@H](C)NCc1cccc(OC)c1O 776254919 NWZDXJNSXOCQGR-ZDUSSCGKSA-N 263.381 3.625 30 20 CHED Cc1cc([C@H](C#N)C(=O)[C@H](C)CC2CCCCC2)nc(C)n1 1122445134 NDYXEUHVHLDYJE-WBMJQRKESA-N 299.418 3.876 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@H]1CC1(F)F)c1cccs1 1123107778 UPBGBUFJFIOSQH-KKZNHRDASA-N 285.315 3.537 30 20 CHED Cc1cc(C(=O)OCc2ccc(Cl)cc2C#N)c(C)o1 780038194 CMKIWPFIYCCVDT-UHFFFAOYSA-N 289.718 3.779 30 20 CHED CCCCOc1ccc(C(=O)/C=C/c2cnn(CC)c2)cc1 789157899 QMKTWINEALPSNG-IZZDOVSWSA-N 298.386 3.978 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)[C@]1(C)CCCO1 782272391 PUGNVBDOZUORPG-MSOLQXFVSA-N 288.435 3.788 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1-n1nccc1C 784676716 VFGPUHKCPIWEKP-UHFFFAOYSA-N 295.386 3.703 30 20 CHED CC[C@H](CC#N)OC(=O)c1c(Cl)c2ccccc2n1C 787079150 PFYOSWFKJIPZCZ-SNVBAGLBSA-N 290.750 3.681 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(CN(C)C)cc1F 894907919 XKWPAGFELFNMNM-GFCCVEGCSA-N 277.387 3.628 30 20 CHED C=CCCCCCOC(=O)[C@@H]1OCCc2ccccc21 784318730 AYRVZTPCJWMENY-MRXNPFEDSA-N 274.360 3.590 30 20 CHED CC[C@@H]1c2ccccc2CN1c1nc(C)ccc1C#N 897353987 HDTPACRFWYQLAY-MRXNPFEDSA-N 263.344 3.733 30 20 CHED CC[C@@H]1CCC[C@@H](C=Nn2c(S)nnc2C(C)(C)C)C1 783800109 NWBDTVGOLYKORZ-VXGBXAGGSA-N 294.468 3.915 30 20 CHED COCCN(C)N=C(C)c1cccc(-c2ccccc2)c1 794963440 VJGFIZJLGRHSII-UHFFFAOYSA-N 282.387 3.656 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2ccnn2C(C)C)c(O)c1 799894684 BSJBPIYIJFFJFU-WAYWQWQTSA-N 284.359 3.683 30 20 CHED CC(C)O[C@@H](C=NNc1ccnc(F)c1)c1ccccc1 793040760 XTGLBRZZEXRBFL-HNNXBMFYSA-N 287.338 3.785 30 20 CHED Cc1cccnc1NN=Cc1cc2cc(F)ccc2o1 790186605 NHSVASXNYCLLPV-UHFFFAOYSA-N 269.279 3.721 30 20 CHED CSCCON=C(C)C(C)(C)c1ccc(F)cc1 794574859 UBPPMROMPQKERG-UHFFFAOYSA-N 269.385 3.859 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](C)c1ccc2ccccc2c1 791197044 BTFOPDDJZLNOQQ-RDTXWAMCSA-N 279.383 3.861 30 20 CHED CC(C)CON=C(C[C@H]1CCOC1)c1ccc(F)cc1 793034504 ORNOWAFWEAHYCA-CYBMUJFWSA-N 279.355 3.629 30 20 CHED CCCCCCCCCCN1CCn2cnnc2[C@@H]1C 792378789 WZZBKMGGRVLIKV-HNNXBMFYSA-N 278.444 3.795 30 20 CHED FC(F)(F)CCNN=C1C[C@@H]2CCCc3cccc1c32 794552114 KWZXBXCFHYPJCR-NSHDSACASA-N 282.309 3.756 30 20 CHED Fc1ccccc1C=NOCCCCC1CCOCC1 799174161 CXBWKUBTIQZDAI-UHFFFAOYSA-N 279.355 3.773 30 20 CHED C[C@H]1C[C@H]1CNc1ccc(OC(F)(F)F)c(C#N)c1 799738677 JDEQUCHVZDFQKH-WPRPVWTQSA-N 270.254 3.525 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CC[C@@H](C)SC 799442926 FMKVLWSDTPJXHJ-LLVKDONJSA-N 277.389 3.558 30 20 CHED CCC1(C)CCC(=NNCCC(F)(F)F)CC1 794548188 QFJKHQPVLRUTHJ-UHFFFAOYSA-N 250.308 3.875 30 20 CHED C=CCCCC(=O)OCc1cccc(SC)c1 797042805 HHYGUJONAOFBOD-UHFFFAOYSA-N 250.363 3.808 30 20 CHED C=CC[C@H](NC(=O)N(CC1CC1)C1CCC1)c1ccncc1 793026421 FRMOTVOWNTUOCV-KRWDZBQOSA-N 299.418 3.673 30 20 CHED COC(=O)c1csc(C(C)=NNc2cccc(F)c2)c1 794902304 UTMVXRKRKBNQET-UHFFFAOYSA-N 292.335 3.510 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2ccc(C#N)c(F)c2)c1 1219030702 ISWRIWSLYQNEKO-UHFFFAOYSA-N 297.333 3.636 30 20 CHED Cc1nc(C#N)cc(NC[C@@H]2CCC[C@H]2c2ccccc2)n1 1307126983 JJGJQYODLKBWGR-RDJZCZTQSA-N 292.386 3.653 30 20 CHED N#CCC(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 1157946553 GZCQREIHFLKGMV-UHFFFAOYSA-N 286.718 3.984 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cnc(C)nc1C 1318670312 JLFXOUHDNLTAOK-UHFFFAOYSA-N 288.782 3.891 30 20 CHED N#Cc1ccc(N2CCC3(CCC3)C2)cc1C(F)(F)F 301622506 DVLBZTUGVYXBQW-UHFFFAOYSA-N 280.293 3.957 30 20 CHED CCC(C#N)(CC)C(=O)N1Cc2ccccc2C2(CCC2)C1 1328966128 VLBIMQKERFUCKO-UHFFFAOYSA-N 296.414 3.780 30 20 CHED C=C[C@H](COC)N[C@H]1CCSc2cc(C)c(C)cc21 1325905641 YQDIUHDRPOAIAI-HIFRSBDPSA-N 277.433 3.631 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc2c(c1)oc1ccccc12 1325913936 HHPCDBSYPKSLON-ZDUSSCGKSA-N 277.323 3.728 30 20 CHED N#Cc1cccc(C#N)c1NCc1cccc(C(F)F)c1 1326445241 UUWNYIOOQZFPQX-UHFFFAOYSA-N 283.281 3.980 30 20 CHED N#Cc1ccc(Cl)cc1NCc1ccc(C(=O)O)cc1 62784863 MRJJFANADLPICO-UHFFFAOYSA-N 286.718 3.522 30 20 CHED C=CCCC[C@H](C)NC(=O)Cn1cc(C)c2ccccc21 1337282870 VWLGYFZXGWQKQA-HNNXBMFYSA-N 284.403 3.811 30 20 CHED N#Cc1sccc1C(=O)OCC1CCC(F)(F)CC1 1335181423 PGCKHVWPKQVFCB-UHFFFAOYSA-N 285.315 3.602 30 20 CHED CC(C)[C@@H]1CCC[C@@H]1Nc1cccc(OCC#N)c1 768519873 ZVBWZDZYDPLAOR-HOTGVXAUSA-N 258.365 3.826 30 20 CHED CC(C)(C)ON=Cc1cc(Cl)c2c(c1)OCCCO2 1336230392 WIZPBIOCTHGLDC-UHFFFAOYSA-N 283.755 3.650 30 20 CHED CC(=O)[C@H](Cc1ccccc1)Sc1cccc(F)c1C#N 1189433488 VEMCZNQTOUQGGE-KRWDZBQOSA-N 299.370 3.990 30 20 CHED N#Cc1csc(CNc2cccc3cnccc23)c1 93685941 XFQWGDCAOOCMDF-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1nc(Cl)ccc1Cl 1337681321 WGJDHNOIBXCWJL-JTQLQIEISA-N 299.201 3.959 30 20 CHED C=C[C@H](COC)N[C@H]1CCCc2c(Cl)cccc21 1342731831 HTELMBPBCVTRIC-ABAIWWIYSA-N 265.784 3.508 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 1264121717 VRZLJTBJRHPOEZ-JKSUJKDBSA-N 296.757 3.954 30 20 CHED COc1ccncc1CSCCCC(C)(C)C#N 1261135750 JAUAKHDVPAIKDN-UHFFFAOYSA-N 264.394 3.653 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C(F)F)n2CC(C)C)C1 1263415647 IMZOPAUBSSMROI-LBPRGKRZSA-N 298.381 3.664 30 20 CHED N#C[C@H](NC(=O)/C=C\c1ccc(Cl)s1)C1CCCC1 1350852186 UMVBKOIPXKJZHT-VFFGBVLKSA-N 294.807 3.613 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)C1CC(F)(F)C1)c1cccs1 1515586553 CHIBXBPGGLYICO-JOYOIKCWSA-N 299.342 3.927 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(COc2ccccc2)cc1 1295763651 RPDRIXWWPZRIKW-HNNXBMFYSA-N 294.354 3.754 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC[C@H](C#N)C2)c1 1455571531 ZOXCBDOEPUIMSW-NVXWUHKLSA-N 298.430 3.751 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1c1ccnc(C#N)c1 1458384184 FMIVIAAFOZFEGT-SFHVURJKSA-N 277.371 3.713 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc2c(cc1Cl)OCO2 1521230346 WADUOWKXTNKUSG-UHFFFAOYSA-N 281.739 3.610 30 20 CHED Cc1ccccc1[C@H](Nc1ccc(CCC#N)cc1)C(=O)O 1600568157 ASZMPBYQRYNDIC-KRWDZBQOSA-N 294.354 3.689 30 20 CHED C[C@H](C#N)CN[C@@H](C)CC12CC3CC(CC(C3)C1)C2 1462075803 PSBQILNICUAJHD-RBABLOILSA-N 260.425 3.731 30 20 CHED N#Cc1ccccc1S[C@@H](C(=O)O)c1ccsc1 1601127154 DDMQSPKLOXJHRI-GFCCVEGCSA-N 275.354 3.538 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)CC(C)(C)C 1476266986 OQTUIEWGWYQISF-LLVKDONJSA-N 273.380 3.813 30 20 CHED Cc1cccc(CN(C2CC2)[C@@H](C)C#N)c1Br 1473624939 KQWOIYLVIYJDLE-NSHDSACASA-N 293.208 3.634 30 20 CHED C[C@H]1CN(C(=O)Nc2cc(F)cc(C#N)c2)CC(C)(C)C1 1476982536 FRHRETVIGKOWQO-LLVKDONJSA-N 289.354 3.597 30 20 CHED CC[C@H](C)C[C@H](CC)NCc1ccc(OC)c(C#N)c1 1474684681 ODIYVCMYHANMHT-BBRMVZONSA-N 274.408 3.871 30 20 CHED Cc1cc(NCc2ccc(Cl)cc2)ncc1C#N 1639216611 AHBOUIXSZMWDAJ-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1cc(C#N)cs1 1641607296 BTPLIXARZWUMQU-UHFFFAOYSA-N 285.372 3.692 30 20 CHED COc1ccc(C#N)cc1CN1CCC(CC(C)C)CC1 1641992347 QJTDUVRUZHPKCD-UHFFFAOYSA-N 286.419 3.825 30 20 CHED C=CC[C@H](Sc1nc2ccc(F)cc2s1)C(=O)O 1573352829 KUUVSZRNRUGTCF-VIFPVBQESA-N 283.349 3.557 30 20 CHED COc1cc(OC)c2ncc(C#N)c(NCCC(C)C)c2c1 1651309220 HDTGDCWNQCLRCH-UHFFFAOYSA-N 299.374 3.582 30 20 CHED C#CCCCCCC(=O)Oc1ccc(C(=O)O)c(Cl)c1 1588441408 GTHWXXJTVGPEGE-UHFFFAOYSA-N 294.734 3.527 30 20 CHED N#Cc1cccc(C#N)c1NCC[C@H]1CCc2ccccc21 1651900401 SQLKLALCSGKFEK-OAHLLOKOSA-N 287.366 3.962 30 20 CHED CCOC(=O)Nc1ccc(Nc2cc(C)ncc2C#N)cc1 1650632224 KWBNRBNVPVKZRG-UHFFFAOYSA-N 296.330 3.574 30 20 CHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccc1F 1653886408 KFMDGPJMFHXXIH-FOGDFJRCSA-N 266.747 3.822 30 20 CHED CC[C@H]1c2ccccc2CCN1c1cc(C)c(C#N)cn1 1651531124 REBZXMZXQRQPNZ-KRWDZBQOSA-N 277.371 3.776 30 20 CHED CCCCCCCN[C@]1(C)CCCC[C@H]1C(=O)O 1595704521 SCXBNCNXRXYQQW-DZGCQCFKSA-N 255.402 3.580 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2c(C)cccc2C)C1 1776160805 LNHXZJFYJLLDAL-SFHVURJKSA-N 287.403 3.546 30 20 CHED O=C(O)/C=C\c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 1776131404 QANDQBWTPGJKSV-MCSXFCTQSA-N 296.297 3.820 30 20 CHED C=CCC[C@@H](NCc1ccc([C@H](C)CC)cc1)C(=O)O 1776168527 HYAXIGJGIJFLLQ-CZUORRHYSA-N 275.392 3.709 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(CC2CCC(C)(C)CC2)C1 1776158195 ACJCXNCQUUURRA-QGZVFWFLSA-N 279.424 3.556 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@H]2CCCc3ccccc32)C1 1776154633 OOIVXHMQKSBCMF-HKUYNNGSSA-N 299.414 3.807 30 20 CHED C=CCN(C)C(=O)/C=C/c1ccccc1O[C@H](C)CC 161538166 YWLLLOGFAXRWSV-GCZGRYASSA-N 273.376 3.522 30 20 CHED C=CCC(CC=C)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 151098007 YQLLQMPDGHTCLY-CYBMUJFWSA-N 279.343 3.508 30 20 CHED CC#CCCN1CCC(c2nc3ccccc3s2)CC1 155083700 WPBUVELVSCANDE-UHFFFAOYSA-N 284.428 3.889 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCSC(C)(C)C)C1 155131281 SMFWLPWTZLEUDX-CZUORRHYSA-N 296.480 3.887 30 20 CHED CCCCCCCCN1CCC(c2nc(C)no2)CC1 157621921 HEMIDNSPLTZQJR-UHFFFAOYSA-N 279.428 3.918 30 20 CHED CC#CCCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1 154835545 JSRVQSMEFREGJX-UHFFFAOYSA-N 296.244 3.604 30 20 CHED Cc1cc(F)cc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 159248780 SODOCJSPPVLBLG-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC1(C)[C@H](Nc2ccc(C#N)c(Cl)c2)[C@H]2CCCO[C@H]21 227079393 IMVKRDYYSKYBKI-BPLDGKMQSA-N 290.794 3.827 30 20 CHED CCN(CCOc1ccc(C#N)cc1)Cc1cccs1 42299067 AMPNNZPEVWCAPL-UHFFFAOYSA-N 286.400 3.521 30 20 CHED Cc1cc(C)cc(CNc2cccc(OCC#N)c2)c1 43393173 GKXNFSMYJCEKSE-UHFFFAOYSA-N 266.344 3.818 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Cc1ccccc1Cl 49495743 IVZKADQMRFFVMR-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CC(C)[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 404103365 XJHVDKVGBJSOCC-MRXNPFEDSA-N 260.356 3.708 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cscn1 536628028 SLZSPTGEAQDZTQ-GFCCVEGCSA-N 274.389 3.559 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3sccc32)cc1F 334671785 PKYOYGKPHKDCDK-HNNXBMFYSA-N 286.375 3.926 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(Cl)cc1Cl 447326349 OOBNOXMMUZLEDH-VIFPVBQESA-N 269.175 3.948 30 20 CHED C=CC[C@@H](CC)NCc1cc2c(cc1SC)OCCO2 341502398 ZVMBIKJJJACWHU-CYBMUJFWSA-N 293.432 3.624 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(CC(C)C)no1 470911143 PVDSOFUOCHNOBV-UHFFFAOYSA-N 299.418 3.846 30 20 CHED N#CCCCN1CCC[C@H](c2nc3ccccc3s2)C1 7553319 LRJMQNPUJMKBCV-ZDUSSCGKSA-N 285.416 3.779 30 20 CHED O=C1/C(=C/c2ccsc2)CCOc2ccc(F)cc21 12758376 UMVJZFBTESZBTB-YRNVUSSQSA-N 274.316 3.936 30 20 CHED CC(C)Oc1ccc(CNc2ccccc2C#N)cc1 35255022 JDRHALVJIKAUBW-UHFFFAOYSA-N 266.344 3.958 30 20 CHED N#Cc1cccc(OCCCOc2ccc(F)c(F)c2)c1 35732540 WWMYKYBFXIILPJ-UHFFFAOYSA-N 289.281 3.684 30 20 CHED C[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc(C#N)cc1 36991914 BSDDYYPQBSZWQR-CHWSQXEVSA-N 266.344 3.676 30 20 CHED Cc1ccc(C2CC(NCc3ccc(C#N)cc3)C2)cc1 37748401 IQDBFMNEZKKNKV-UHFFFAOYSA-N 276.383 3.903 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(C#N)cc1 37749719 OKRSDQWEOYQEOT-LLVKDONJSA-N 265.291 3.742 30 20 CHED N#Cc1cccc(CNc2ccc(OC(F)F)c(F)c2)c1 37776559 XLDPHZHJDDDKFY-UHFFFAOYSA-N 292.260 3.911 30 20 CHED Cc1cc(C#N)ccc1Oc1ccc([N+](=O)[O-])c(C)c1 38080848 OZLLBEAYHOFODA-UHFFFAOYSA-N 268.272 3.876 30 20 CHED N#C[C@@H](C(=O)c1ccccc1)c1ccc(C(F)(F)F)cn1 41555555 IQKVBTBTFVWWPE-GFCCVEGCSA-N 290.244 3.590 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 42749060 WCGYAERXOWYDDF-MRVPVSSYSA-N 286.162 3.617 30 20 CHED C=CCNC(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 43876027 QUZITOIBPSTYOD-UHFFFAOYSA-N 296.370 3.594 30 20 CHED C=CCOc1ccccc1CNC[C@H]1CC=CCC1 44583684 MAFVEPRXCFEJCJ-HNNXBMFYSA-N 257.377 3.697 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(F)c(Cl)c1 44765343 JQWDHSMMYNTLJT-UHFFFAOYSA-N 268.719 3.748 30 20 CHED CC(C)(CNc1ncccc1C#N)c1ccc(Cl)cc1 48625981 RTDHFLWZUVONLB-UHFFFAOYSA-N 285.778 3.996 30 20 CHED N#Cc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1F 51637636 RHMFIJBSHLJLOZ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=C(C)CNC(=S)Nc1ccc(OC(C)C)cc1C 54971874 UMLRXMFGXXBNPN-UHFFFAOYSA-N 278.421 3.645 30 20 CHED N#Cc1ccccc1CSCC(=O)OCc1ccccc1 58237884 OYNRESKUDFFUIT-UHFFFAOYSA-N 297.379 3.535 30 20 CHED N#Cc1ccc(OCc2nc3ccccc3s2)cc1F 66749169 JASVUQFAFNANAX-UHFFFAOYSA-N 284.315 3.886 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2cccc(C)c2)c1 73012412 PEUYEFOXYBVLMI-GOSISDBHSA-N 294.398 3.966 30 20 CHED C[C@@H]1CCCC[C@H]1Nc1ncc(Br)cc1C#N 74370395 DWQGPMOADGEPKI-BXKDBHETSA-N 294.196 3.706 30 20 CHED COc1ccc(CCCC(=O)Nc2ccccc2C#N)cc1 76709102 NIYGPGKGFOXKBL-UHFFFAOYSA-N 294.354 3.528 30 20 CHED CCN(Cc1cccc(C#N)c1)[C@@H](C)c1cccc(O)c1 80933236 OKERUXAQKOFNAD-AWEZNQCLSA-N 280.371 3.847 30 20 CHED C#Cc1cccc(NC(=O)C[C@H](C)c2cccc(OC)c2)c1 84522661 PLLGDHFEEXGNCN-AWEZNQCLSA-N 293.366 3.809 30 20 CHED C=C[C@@H](CC(=O)N(CC#N)c1ccccc1)c1ccccc1 89622065 IVPWBAJWLCGGKC-INIZCTEOSA-N 290.366 3.903 30 20 CHED N#CCN(Cc1cc(Cl)cc(Cl)c1O)C1CCCC1 93563278 NVXVINFSEMFAPT-UHFFFAOYSA-N 299.201 3.967 30 20 CHED N#Cc1csc(CNc2cc(F)c(F)c(F)c2)c1 93687987 SWQWLMNIGIWJBW-UHFFFAOYSA-N 268.263 3.649 30 20 CHED C[C@H]1CCC[C@@H](OC(=O)CCc2ccc(C#N)cc2)C1 96992042 QXIDJAQHFRRLAQ-XJKSGUPXSA-N 271.360 3.613 30 20 CHED N#Cc1ccc(OCc2cc(F)cc(F)c2)cc1F 97921811 VLYDTBLYGAXMFO-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc2ncccc2c1 104627839 ZUSACWNTTLWSHT-UHFFFAOYSA-N 295.386 3.637 30 20 CHED C=CCN(CC=C)C(=O)c1cc2c(C)c(C)ccc2[nH]1 116713877 UMIJDCRYDGWRCQ-UHFFFAOYSA-N 268.360 3.599 30 20 CHED CSc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1 116800448 CQXCMHZBJHDKKN-LRDDRELGSA-N 288.416 3.611 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](OC1CCCC1)c1ccccc1 116859044 JHBLXTOWRKXYNE-WMLDXEAASA-N 287.403 3.768 30 20 CHED C=CCCCOC(=O)c1cnn(-c2ccccn2)c1C(C)C 117994136 ICASMKWAHZBOLH-UHFFFAOYSA-N 299.374 3.514 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)ccc1Cl 120846604 LRHJRRWGXOGZPO-JTQLQIEISA-N 252.745 3.735 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 120972588 KACGIAVYVYSCPW-OKZBNKHCSA-N 281.399 3.599 30 20 CHED Cn1c([C@@H](C#N)C(=O)CCC(C)(C)C)nc2ccccc21 121517581 OJDQTHVFAADZKD-LBPRGKRZSA-N 283.375 3.576 30 20 CHED C=CCc1ccccc1OCc1noc2c1CCCC2 123274832 FXNAVEXHDBOMLF-UHFFFAOYSA-N 269.344 3.861 30 20 CHED C=CCNc1ncc(C(=O)N2C[C@@H](C)c3ccccc32)s1 126537627 ASANZSFHLVQGPH-LLVKDONJSA-N 299.399 3.505 30 20 CHED CC[C@@H](C#N)Sc1nc(C)c(C)n1CC(C)C 127269216 FIQVIKRCFOLPRK-LBPRGKRZSA-N 251.399 3.550 30 20 CHED C=C(C)COc1cccc(NCc2ccn(C)c2)c1 127451561 PRVRGCBTIQVKJV-UHFFFAOYSA-N 256.349 3.592 30 20 CHED COc1ccc(C#N)cc1CN(C)C1CCCCCC1 130409333 HZPDWMXBKHMFAO-UHFFFAOYSA-N 272.392 3.721 30 20 CHED COCc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1 132662444 YSLURRWBGCOWOB-OVCLIPMQSA-N 282.314 3.795 30 20 CHED C=CCNC(=O)CCCc1csc2ccccc12 133069409 QOOCDXJAEASXPW-UHFFFAOYSA-N 259.374 3.526 30 20 CHED N#Cc1ccncc1N1CCC2(CCCCC2)CC1 135605678 SGSKBEQJNRWERN-UHFFFAOYSA-N 255.365 3.504 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCc2sccc21 136632742 GMZURQMXOMBLJL-CYBMUJFWSA-N 278.421 3.733 30 20 CHED O=C(NO)c1ccc(-c2cccc3ccccc23)s1 139200347 CIMOROPOSZHZBQ-UHFFFAOYSA-N 269.325 3.687 30 20 CHED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1ccco1 143432312 GJSBDUCICHICKM-TUXQVTDXSA-N 269.256 3.640 30 20 CHED CC#CCCN1CCC[C@@H]1c1nc2ccccc2s1 155067563 FISHXETXJCQLOR-CQSZACIVSA-N 270.401 3.847 30 20 CHED C#CCN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 157168620 AXGCWUHVBCLJOD-LBPRGKRZSA-N 270.401 3.711 30 20 CHED CCCCOc1ccccc1NC(=O)N[C@@H](CC)CC#N 157250097 ORHZUTQAYZZMIY-ZDUSSCGKSA-N 289.379 3.679 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(C(F)(F)F)c1C 157696719 MUNURSWGEIYZRQ-SNVBAGLBSA-N 299.296 3.828 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCO1 159993674 ZKQRIRNNVXBHSZ-LBPRGKRZSA-N 298.308 3.947 30 20 CHED C=C(C)CNC(=O)c1sc2ccc(OC)cc2c1C 161077127 HXSSPPCZUGUBJJ-UHFFFAOYSA-N 275.373 3.524 30 20 CHED Cc1ccc(C#N)c(N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)n1 161513391 FAIPVBRMCRAPKI-BBRMVZONSA-N 295.361 3.783 30 20 CHED C=CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 161536384 KTALJUZSRWAIKN-WDEREUQCSA-N 284.186 3.741 30 20 CHED C=CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C 162214703 XSHAYTPVNIJRLG-UHFFFAOYSA-N 296.754 3.675 30 20 CHED C=CC[C@H](C)N[C@@H]1CCc2cc(Br)ccc2C1 163309812 GEIMLWGSFXWIGF-XHDPSFHLSA-N 294.236 3.861 30 20 CHED C[C@@H](NC(=O)NCCCCC#N)c1cccc2ccccc12 171413936 MYSIIPLNTRGENV-CQSZACIVSA-N 295.386 3.894 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)c(C)n1C1CC1 176610740 WTKUMARNXJARNQ-KRWDZBQOSA-N 299.418 3.642 30 20 CHED N#Cc1csc(/C=C/C(=O)c2ccc(F)cc2)c1 176836745 ZNAQNYZRQHJGIR-AATRIKPKSA-N 257.289 3.655 30 20 CHED C#CCCCCNc1ncnc2sc(C)c(C)c12 177093457 XNLBEMOYASLQPW-UHFFFAOYSA-N 259.378 3.524 30 20 CHED C#CCCCCC(=O)Nc1cccc(OC(F)(F)F)c1 179692689 MAGFSJXYTJIOTC-UHFFFAOYSA-N 285.265 3.717 30 20 CHED C#CCCCCC(=O)Nc1ccccc1NCC(F)(F)F 179880579 HCFJRHOYIAZERS-UHFFFAOYSA-N 298.308 3.793 30 20 CHED C[C@H]1CCC[C@H](Nc2ccc(F)cc2OCC#N)C1 181540387 ZSRWOENLKSFHNE-AAEUAGOBSA-N 262.328 3.719 30 20 CHED CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1F 181715872 GCKYEFQHTFXQNQ-CYBMUJFWSA-N 298.361 3.947 30 20 CHED CC[C@H](CC(=O)N[C@]1(C#N)CCc2ccccc2C1)C(C)C 183927181 HOMLJSQBAVCBMY-DNVCBOLYSA-N 298.430 3.626 30 20 CHED CC[C@H](CC#N)NCc1ccc(OC(F)F)c(Cl)c1 184087804 DRXQTMPKBBTURZ-SNVBAGLBSA-N 288.725 3.723 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)cc1Br 184888670 SQEPPWRVETZKBD-UHFFFAOYSA-N 294.192 3.890 30 20 CHED CC(C)C[C@@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl 185552986 KNDKAOINKZCGRW-RISCZKNCSA-N 278.783 3.703 30 20 CHED N#CCCCC[S@](=O)Cc1ccc(C(F)F)cc1 185553087 YEGXPJLGEQKSOD-SFHVURJKSA-N 271.332 3.567 30 20 CHED C=CCC[C@@H](C)NCCc1nc(-c2ccccn2)cs1 186061792 BCSCJHUQJCLYPL-CYBMUJFWSA-N 287.432 3.692 30 20 CHED C/C=C(\C)C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 187050708 ODDNUODOHGSPKK-QLKAYGNNSA-N 286.419 3.664 30 20 CHED C/C=C(/CC)C(=O)N[C@@H](CCC#N)c1ccccc1 189045031 QSSFPWYPPOKHFS-BTLPXRKTSA-N 256.349 3.504 30 20 CHED C[C@@H](Oc1ccc(C#N)c(Cl)c1)c1nc(C2CC2)no1 190273041 LOIMOYBDKVEJHJ-MRVPVSSYSA-N 289.722 3.612 30 20 CHED C=CCC1(C(=O)N2CCc3c(C)cc(C)cc3C2)CCC1 190404247 IFWTVGSKGVHWSJ-UHFFFAOYSA-N 283.415 3.935 30 20 CHED CC(C)N(Cc1ccccc1)C(=O)Cc1ccc(C#N)cc1 194724411 MEIVUIGDHUCCNL-UHFFFAOYSA-N 292.382 3.538 30 20 CHED O=C1/C(=C/c2sccc2Cl)Cc2cc(O)ccc21 195340229 IYFKIMGBTUUGKL-VQHVLOKHSA-N 276.744 3.930 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1[N+](=O)[O-] 205731376 WKIXRMMHGAJNLG-FPLPWBNLSA-N 285.274 3.938 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1cccc(C#N)c1 218084835 GXVCMEAXYRYRPE-CYBMUJFWSA-N 258.365 3.504 30 20 CHED N#Cc1cc(F)ccc1NCc1cccc2cc[nH]c12 228032437 BIYNZVTYQDPTNV-UHFFFAOYSA-N 265.291 3.791 30 20 CHED Cc1cc(C)nc(SCCOc2ccccc2C#N)c1 229851809 LFOUKGYAHKLQDZ-UHFFFAOYSA-N 284.384 3.741 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCO[C@@H]1C1CC1 230308281 KVCDBBZWUCITIR-UONOGXRCSA-N 296.292 3.556 30 20 CHED C[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)C[C@@H](C)O1 245676803 GGHNCVYUSXCUCO-MIFYACCESA-N 288.391 3.737 30 20 CHED Cc1nnc(SC/C=C\c2ccccc2)c(C#N)c1C 255027434 IIYYVPRSLCZWMA-TWGQIWQCSA-N 281.384 3.771 30 20 CHED Cc1nn(C)cc1/C=C1\C[C@H](C)c2ccccc2C1=O 255077475 IABNWJDBWFATDN-GJSJWPQCSA-N 266.344 3.502 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C\c1cccc(C#N)c1 255212522 KQWHRZULVOOZAR-TWGQIWQCSA-N 294.329 3.659 30 20 CHED C#CC[C@H](OC(=O)/C=C\c1ccc2ccccc2n1)C1CC1 255426987 MEVKIMUNRYWKTG-SQVRQVGWSA-N 291.350 3.593 30 20 CHED N#CC1(C(=O)Nc2nc3ccsc3s2)CCCCC1 265522092 CQRFXHAERVUJSQ-UHFFFAOYSA-N 291.401 3.770 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)c1ccc(CC#N)cc1 270203989 CTHLKKQBPJRZHM-LBPRGKRZSA-N 284.384 3.647 30 20 CHED C=CCN(C(=O)c1cccc(-c2nc(C)cs2)c1)C1CC1 271545865 QAKDAQLOQCGDAL-UHFFFAOYSA-N 298.411 3.909 30 20 CHED C#CC[C@@H](NCc1nc(C)c(C)s1)c1ccccc1 271645975 ABQBMHSVJKXSDH-OAHLLOKOSA-N 270.401 3.614 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)NCCCC#N 273207056 LYQBZLQHLRLWKO-UHFFFAOYSA-N 297.811 3.877 30 20 CHED C=CC[C@H]1N(Cc2nc(C3CC3)no2)CCCC1(C)C 277668160 FMHKDAIIHJJMRY-CYBMUJFWSA-N 275.396 3.514 30 20 CHED C[C@@H](NC[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 280347202 HQUDSCUTBXXCMK-DGCLKSJQSA-N 264.319 3.644 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1ccc(F)cc1 280523464 BFOWRYZFUHZBFP-PVAVHDDUSA-N 277.383 3.848 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(OC)c(COC)c1 281508992 HDELUIXWKKDTDF-XJKSGUPXSA-N 277.408 3.847 30 20 CHED C=CC[C@@H](C)NCc1cnc(NC(=O)OC(C)(C)C)s1 281871625 CSIXSFAIOOLGIY-SNVBAGLBSA-N 297.424 3.544 30 20 CHED C=CCCC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1OC 286932964 LOEJZAMAGKEESZ-GDBMZVCRSA-N 287.403 3.961 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cncc(Cl)c1C 295525218 XNLNJTRSUGLTEL-ZDUSSCGKSA-N 252.745 3.584 30 20 CHED C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1cccnc1 298035811 GBTNJWYIQJRSDE-HNNXBMFYSA-N 282.387 3.839 30 20 CHED N#CC1(NC(=O)Cc2csc3ccccc23)CCCCC1 298731130 OOKWZCWCYWOCFU-UHFFFAOYSA-N 298.411 3.786 30 20 CHED O=C1/C(=C\c2ccsc2)CCOc2ccccc21 299736059 UQRKNEKRLYXBCJ-XFXZXTDPSA-N 256.326 3.797 30 20 CHED CCOCc1cccc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1 301146710 BCADRQHYUWGCTF-UHFFFAOYSA-N 297.314 3.747 30 20 CHED N#Cc1ccc(NCCc2c[nH]c3cc(F)ccc23)c(F)c1 301154634 QYQJFPRFBODOLB-UHFFFAOYSA-N 297.308 3.972 30 20 CHED N#Cc1nc(N[C@H]2CCc3cc(F)ccc32)ccc1Cl 301177265 NFCJXEJFVOMNAK-ZDUSSCGKSA-N 287.725 3.845 30 20 CHED CC(C)(CNc1nc2ccccn2c1C#N)c1cccs1 302113394 VETIEYXFLPKYGD-UHFFFAOYSA-N 296.399 3.657 30 20 CHED CCC[C@]1(C)CCCN(c2nc3ccccn3c2C#N)C1 302131244 CAFDENJYAPZYBP-QGZVFWFLSA-N 282.391 3.613 30 20 CHED CCCCCCCCN/C(N)=N/Cc1nc(C)c(C)s1 304765250 YZKATMYUMDQJCG-UHFFFAOYSA-N 296.484 3.525 30 20 CHED Cc1cc(NCc2ccccc2Cl)cc(C#N)n1 308270326 VOPHUWCASZCSEC-UHFFFAOYSA-N 257.724 3.527 30 20 CHED COc1cc(F)cc(CNc2cc(C#N)ccc2C)c1 312263733 QCPVTEBDQKNFGV-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1cccc(NCc2cc(Cl)sc2Cl)n1 312762043 VTDFCYMWMAONKQ-UHFFFAOYSA-N 284.171 3.934 30 20 CHED N#CCc1cccc(NC(=O)CCCc2ccccc2)c1 313439915 DJIWQGVPJZFGGJ-UHFFFAOYSA-N 278.355 3.714 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 314955704 NTNBUJCIZUMSBV-WSMBLCCSSA-N 270.376 3.826 30 20 CHED CCOc1cc(CNc2cc(C#N)ccc2C)ccc1OC 315493364 XDPIXAGJFSFFGJ-UHFFFAOYSA-N 296.370 3.886 30 20 CHED N#CC1(NC(=O)c2ccc(F)c3ccccc23)CCCCC1 318496285 MJFBRKFQVNWAIX-UHFFFAOYSA-N 296.345 3.935 30 20 CHED CC[C@@H]1OCCC[C@@H]1C(O)=Nc1cccc2ocnc12 328861295 APWVBYWTFRDWKX-JQWIXIFHSA-N 274.320 3.621 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2ccc3ccccc3n2)CCC1=O 328911592 GMOAZHFMMSUQQD-AAEUAGOBSA-N 282.343 3.828 30 20 CHED CC1(/C(O)=N/Cc2ccc3c(c2)C(O)=NCC3)CCCC1 329664565 JXVSOUSZPRMQBO-UHFFFAOYSA-N 286.375 3.584 30 20 CHED C[C@@H](/N=C(/O)[C@H]1CCC(O)=N1)c1cc2cccc(F)c2o1 330023515 ITXHRAYAFBNDTP-LDYMZIIASA-N 290.294 3.708 30 20 CHED CC(C)(C)CC/N=C(/O)NCc1nc(C(C)(C)C)cs1 330621565 MKLFZPHSIFIRIU-UHFFFAOYSA-N 297.468 3.880 30 20 CHED CCc1ccccc1/C(O)=N/C1CCC(C(=N)O)CC1 331161215 GAPQBJJMMAGBKI-UHFFFAOYSA-N 274.364 3.648 30 20 CHED CCOc1nccc(C)c1/C(O)=N/CCC(C)(C)C 331210806 IGSWQEDVEONKBM-UHFFFAOYSA-N 264.369 3.530 30 20 CHED CCCCn1ncc(N/C(O)=N/CC2CCCCC2)c1C 331330613 RDCLOXPFUMOKCP-UHFFFAOYSA-N 292.427 3.898 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)[C@@H]2CCCC[C@@H]12 332240298 ITPJCPMHFOZAOQ-XOKHGSTOSA-N 297.402 3.795 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)[C@H]1c1ccncc1 334483623 YNFSRZYXZUXAFR-HNNXBMFYSA-N 283.400 3.598 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc2[nH]ccc12 335788063 CIJWTHSPULXRFH-LBPRGKRZSA-N 269.348 3.740 30 20 CHED C=C1CCN(C(=O)c2c[nH]cc2-c2ccccc2F)CC1 336417727 NDBXXZQZPZSAMR-UHFFFAOYSA-N 284.334 3.613 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 336601688 HXZMXPQCCVJSBA-NEPJUHHUSA-N 275.314 3.534 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC(C)C)c(OC)c1 337083318 BNPWCGYPQMKCAY-CQSZACIVSA-N 291.391 3.567 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1ccccn1 339225329 HJHFZFSZLLYVFO-WBVHZDCISA-N 299.418 3.554 30 20 CHED CS[C@@H](C)CC(=O)N(CC(C)C)c1ccc(C#N)cc1 339818219 IDOBTCQMNXNLGZ-ZDUSSCGKSA-N 290.432 3.689 30 20 CHED CSc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 340064589 KVHMSCNZVUGIHD-UHFFFAOYSA-N 282.368 3.727 30 20 CHED C=CCN(Cc1cccs1)[C@@H](C)c1cccnc1 340597761 RNLPDDITSMTETL-ZDUSSCGKSA-N 258.390 3.892 30 20 CHED CC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1cccs1 340888038 PHLXBJASRPJQBI-CYBMUJFWSA-N 288.347 3.640 30 20 CHED Cc1nsc(NC[C@H](C)Sc2ccccc2)c1C#N 342265831 AWJCVFKKZURULI-JTQLQIEISA-N 289.429 3.916 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1CNCC(C)(C)CCC#N 342298284 RVQPBKFDRNPOFK-UHFFFAOYSA-N 290.455 3.675 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(N(C)c2ccccc2)nc1 342371492 GTALWOYCRQKTOI-AWEZNQCLSA-N 295.386 3.544 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(F)cc1 342612910 CGHMZFNFIRSTOX-UHFFFAOYSA-N 265.328 3.527 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)C1(C#N)CCCC1 344210621 CPPDOWZLPOWIPF-UHFFFAOYSA-N 284.403 3.755 30 20 CHED Cc1c(Cl)cc(NC(=O)NCCCC#N)cc1Cl 344977380 MNCYLKFIOYZPMU-UHFFFAOYSA-N 286.162 3.727 30 20 CHED N#CCCCNC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 345158935 ZKVHZCUOJUAHSZ-UHFFFAOYSA-N 296.157 3.508 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C1CCCCC1 346895853 LVWZREDBPRBHTL-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C=CCn1c(C2CCC2)nnc1N(CC)C1CCCC1 351071616 DUALHYDGNRBFFI-UHFFFAOYSA-N 274.412 3.501 30 20 CHED C=C(C)CCc1noc(-c2nccc3ccccc23)n1 351619511 JHBCFUIVCQEXRZ-UHFFFAOYSA-N 265.316 3.794 30 20 CHED C=CCCC1(C(=O)Nc2cccc(-n3ccnc3)c2)CC1 354597471 OWHSYUHUZPFMJZ-UHFFFAOYSA-N 281.359 3.557 30 20 CHED C=CCn1c(SCC(=O)C2(C)CC2)nc2ccccc21 356048612 WHOPJXDTIPPGQB-UHFFFAOYSA-N 286.400 3.684 30 20 CHED CSc1ccc(CN(CCC#N)CC2CC2)s1 356190915 IREZWFZKYYACTF-UHFFFAOYSA-N 266.435 3.596 30 20 CHED CC(C)CC1(C)CCN(C(=O)c2cccc(C#N)c2)CC1 356468290 CWVYHKSJZXDPHD-UHFFFAOYSA-N 284.403 3.847 30 20 CHED C=CCC1(C(=O)NCc2oc3ccccc3c2OC)CCC1 359838948 GGFVINJTCVEQKN-UHFFFAOYSA-N 299.370 3.804 30 20 CHED N#Cc1ccncc1N[C@H]1CC[C@H](c2ccccc2F)C1 360274949 OCWSMSQIHQQUQD-JSGCOSHPSA-N 281.334 3.841 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CCCC)c1ccc(OC)cc1 362372423 ZRGRECDGBGWFJK-CZUORRHYSA-N 290.407 3.800 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](c2ccccc2)CC1 375666508 WMWCATHIZNCLCP-AEFFLSMTSA-N 284.403 3.723 30 20 CHED CC[C@@H](C)[C@H](CNc1cc(Cl)ccc1C#N)OC 381295744 PGSMFGTYAQAPEI-YGRLFVJLSA-N 266.772 3.685 30 20 CHED C=CC(C)(C)CNc1nc(C(F)(F)F)ccc1C#N 395436995 ITRDGUNMBTZCHN-UHFFFAOYSA-N 269.270 3.596 30 20 CHED CCc1ccc(OCc2ccc(CC#N)cc2)c(OC)c1 399089600 VZHIPCADWJWNKD-UHFFFAOYSA-N 281.355 3.903 30 20 CHED N#Cc1ccc(CNCc2cc(Cl)ccc2F)cc1F 404134812 WOELVBOFWZZHBV-UHFFFAOYSA-N 292.716 3.780 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 408405754 KKDNMTFJDZTYFF-BFHYXJOUSA-N 286.375 3.548 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1 410528638 SUCWDAYOXPNTQR-ZBFHGGJFSA-N 270.376 3.737 30 20 CHED C[C@H](CC(F)F)C(=O)Nc1cccc(OCCCC#N)c1 411503987 OSSIXJUWXMDLGP-LLVKDONJSA-N 296.317 3.599 30 20 CHED CC[C@@H](Cc1ccccc1)Nc1ncc(C#N)cc1F 413113792 CUNLKKKDSJCHIL-AWEZNQCLSA-N 269.323 3.526 30 20 CHED C=CCC[C@@H](NC1CCC(OC)CC1)c1ccco1 414177361 IWSVFQNZZWSQKQ-YMAMQOFZSA-N 263.381 3.834 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H]1CCOC2(CCC2)C1 414302072 NIJKPKMZOKZFCY-ROUUACIJSA-N 285.431 3.865 30 20 CHED C=CCCCCCN(C)C(=O)C(C)(C)C1CCC(O)CC1 416159971 XDPAKRIXGHSBPZ-UHFFFAOYSA-N 295.467 3.769 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(C(C)C)[C@@H](C)c1ccsc1 421688617 IIJBIHQPAPCEPE-CFVMTHIKSA-N 293.432 3.637 30 20 CHED C=C(C)C(C)(C)c1nc(COc2ccccc2F)no1 424215629 BLOOVTJYEXCDLB-UHFFFAOYSA-N 276.311 3.641 30 20 CHED CC[C@H](NC[C@]1(C)C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 424297177 RACASCVLONSHPR-XDNAFOTISA-N 284.403 3.557 30 20 CHED CC[C@H](NC[C@@]1(C)C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 424297178 RACASCVLONSHPR-XMTFNYHQSA-N 284.403 3.557 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-n2ccc(C)n2)cc1 424817952 FHZIPGAJCBLWCN-UHFFFAOYSA-N 283.375 3.722 30 20 CHED C=CCN(CCC#N)Cc1ccc(C)c(Br)c1 428871028 GVWTVZCTXGXUSH-UHFFFAOYSA-N 293.208 3.659 30 20 CHED C=C(C)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 429276804 UJALMHBLVAWOSA-UHFFFAOYSA-N 278.355 3.955 30 20 CHED N#Cc1ccc(/C=C\c2nc3ccc(F)cc3s2)nc1 431577365 GYOAQYRRRZYFJH-XQRVVYSFSA-N 281.315 3.872 30 20 CHED COc1ccc(-c2nc3ccc(SC)cc3[nH]2)cc1C#N 435681814 LQPWPHGWZZMIOM-UHFFFAOYSA-N 295.367 3.832 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@H](OCC)C1(CC)CC 436288847 GAORERGKFWBYEQ-NCOADZHNSA-N 295.467 3.541 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(C)c2ccc(C#N)cc2)c1 439934277 KLNMHYAEVYNDEU-CQSZACIVSA-N 278.355 3.633 30 20 CHED Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 442837867 KGLFPMBKISBTBG-VUHPKUFZSA-N 298.430 3.967 30 20 CHED C=CCOCCCC(=O)N(c1ccccc1C)C(C)C 443902509 LCWPHBDQCSOVIP-UHFFFAOYSA-N 275.392 3.719 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@H](C)C1 444135434 YZQVYFGQYKBHLX-DZGCQCFKSA-N 290.382 3.712 30 20 CHED CC(C)[C@H]1C[C@@H](N=c2ccc(C#N)c[nH]2)c2ccccc21 447805895 KWHDKHWXVDRRQS-IAGOWNOFSA-N 277.371 3.672 30 20 CHED C=CCCCC[C@H](C)NCc1cccc(NC(C)=O)c1 449080786 ZESFHJBTPCYBAS-AWEZNQCLSA-N 274.408 3.870 30 20 CHED C=CCCOCCN[C@@H](C)Cc1coc2ccccc12 449213913 XDMSGXOQGMBLKO-AWEZNQCLSA-N 273.376 3.546 30 20 CHED N#CCc1cccc(NCc2scnc2C2CC2)c1 449705948 ZQTWQILOEIEJLT-UHFFFAOYSA-N 269.373 3.699 30 20 CHED CC(C)(c1ccccc1)C1(NCc2ccc(C#N)o2)CC1 449713809 AQCQOOGPVCQRSR-UHFFFAOYSA-N 280.371 3.751 30 20 CHED N#CC1(CN2CCc3cc(Br)ccc32)CCC1 450596548 MAXWZFILNJUPBI-UHFFFAOYSA-N 291.192 3.505 30 20 CHED C[C@@H](NCC1(C#N)CCC1)C(C)(C)c1ccccc1 450669309 RZZFVMAMKDYONI-CQSZACIVSA-N 256.393 3.636 30 20 CHED Cc1c(Cl)cnc(N2C[C@H]3CCCC[C@H]3C2)c1C#N 450754237 IRLSNNSAWGKVFD-TXEJJXNPSA-N 275.783 3.542 30 20 CHED N#Cc1c(Cl)cccc1N1CCC[C@]2(CCSC2)C1 450899945 FVBOCEGFJVOTCW-HNNXBMFYSA-N 292.835 3.935 30 20 CHED N#CC1(CN2CCC(Cc3cccc(F)c3F)CC2)CC1 451957800 KIKWRBBIJBXDBY-UHFFFAOYSA-N 290.357 3.523 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC(CF)CC1 452599582 VEGDQESICSPLOO-UHFFFAOYSA-N 293.407 3.786 30 20 CHED CCSc1cccc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)c1 453180640 BEXGQDUGCJHULF-BONVTDFDSA-N 285.372 3.650 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCc2ccccc2CC1 454900878 AVZOZIUVBGHVHT-KRWDZBQOSA-N 286.419 3.542 30 20 CHED C=CC(C)(C)CNC(=O)N(C)C[C@H](C)c1ccccc1 455366562 MMBNZWYAYIYTRF-AWEZNQCLSA-N 274.408 3.644 30 20 CHED C[C@H](C(=O)N[C@]1(C)CCCC[C@H]1C)c1cccc(C#N)c1 457309816 XWVUXDGDIUYXIJ-QWQRMKEZSA-N 284.403 3.747 30 20 CHED CC(C)[C@H](CNCC(C)(C)CC#N)c1ccccc1 459739875 ZOIFMAOALJUMNC-INIZCTEOSA-N 258.409 3.956 30 20 CHED C[C@H](C(=O)NC[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 461921163 TYTPVLDSKRFKAZ-JKIFEVAISA-N 284.403 3.604 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](CC)CC=C)c1 466406780 YONINGPSYBNSNE-ZDUSSCGKSA-N 274.364 3.728 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](CC)Oc1ccccc1C 466525407 HUPUBOKBMIYKKT-LSDHHAIUSA-N 275.392 3.623 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 466642947 UVDQUXCWWVEGBF-LBPRGKRZSA-N 299.336 3.919 30 20 CHED CC(C)CCC[C@@H](C)NCCc1cccc(C#N)c1 467454094 OLNQCOOQIDHRQY-OAHLLOKOSA-N 258.409 3.905 30 20 CHED C[C@H]1CN(Cc2cc(F)ccc2C#N)[C@H]1c1ccccc1 469330897 TYJAWTLPQZYQKT-SCLBCKFNSA-N 280.346 3.890 30 20 CHED COc1c(F)cc(F)cc1NCc1cc(C#N)ccc1F 471657622 IICLMIGHZOKBAN-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=CCc1ccc(OC[C@@H](O)CC2CCCC2)c(OC)c1 473772410 KOJCBMBLGZNHKO-INIZCTEOSA-N 290.403 3.744 30 20 CHED C=C(C)COCCN[C@@H]1CC(C)(C)c2cc(OC)ccc21 474041335 VXSPCXOYWXUYIS-QGZVFWFLSA-N 289.419 3.600 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1cc2cccc(F)c2o1 475694590 NISXMOVBSXTQHC-DGCLKSJQSA-N 277.339 3.550 30 20 CHED C=CCOCCCSc1nc2c(cc1C#N)CCCC2 475978574 RIAGZAHYUHDIBA-UHFFFAOYSA-N 288.416 3.517 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H](c3ccc(F)cc3)C2)n1 480778047 HABXVDOGQDYNJW-OAHLLOKOSA-N 295.361 3.703 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)s2)[C@@H]1C 481825835 SLYBFOZLKGBDFW-UPJWGTAASA-N 262.422 3.782 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F 482273239 CVGWHCDYIQNJNK-LBPRGKRZSA-N 292.345 3.715 30 20 CHED C(#Cc1ccccc1)CN[C@@H]1CCC[C@@H]1c1ccccc1 483975440 GHVRSMQOXOZQNM-WOJBJXKFSA-N 275.395 3.964 30 20 CHED C=CCCCCCSCC(=O)Nc1cccc(C#N)c1 485582266 KDLSLHZNXQJVBM-UHFFFAOYSA-N 288.416 3.976 30 20 CHED C=C[C@@H]1CCCCN1c1nnc(-c2ccccc2)s1 486489335 SIXDSWMSFQUYTE-CYBMUJFWSA-N 271.389 3.750 30 20 CHED C=C[C@@H]1CCCCN1c1cc(N2CCCC[C@H]2C=C)ncn1 486498306 QDXXRCHLWMQPOD-HZPDHXFCSA-N 298.434 3.566 30 20 CHED CCC(=O)c1ccc(Oc2ccc(C#N)c(C)n2)cc1 487896950 OYJLCODKSBOHIZ-UHFFFAOYSA-N 266.300 3.647 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)c1cc(C)sc1C 488386742 MNBMMPMTIQPCKJ-GFCCVEGCSA-N 288.416 3.843 30 20 CHED C=CCCCCCN(C)[C@@H]1CCN(CC)[C@@H](C)C1 488467086 QOSQBMLUCWKLLZ-JKSUJKDBSA-N 252.446 3.537 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NC1(C#N)CCC1 489729995 RVWJDCDHDZTJRS-UONOGXRCSA-N 282.387 3.538 30 20 CHED CC(C)N(CCC#N)C(=O)/C=C\c1ccc(Cl)cc1 491402950 VZFNUNIFWHTOCF-TWGQIWQCSA-N 276.767 3.504 30 20 CHED C#C[C@@H](C)N(C)C(=O)CCCc1cccc(C(F)(F)F)c1 491778073 HOWYMZYEBFNDMR-GFCCVEGCSA-N 297.320 3.508 30 20 CHED COc1cc(C#N)ccc1CSc1cccc(F)c1 499315867 HVMGXSZCMSYGHJ-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=CCCC[C@H](C)N1CCC(n2cc(Cl)cn2)CC1 506034749 BDVZWJZMQLFXAX-ZDUSSCGKSA-N 281.831 3.918 30 20 CHED N#Cc1nn(Cc2sccc2Cl)c2ccccc12 506393800 GHANLGAEOWNEDB-UHFFFAOYSA-N 273.748 3.671 30 20 CHED C=CCN(CC=C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 514068424 JASHMSFEDBRKFP-UHFFFAOYSA-N 286.253 3.792 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)C1 516231221 RMDBQBDQDQHVFN-YRTQGLMCSA-N 276.424 3.599 30 20 CHED Cc1ccc([C@H](C)N(C)c2cc(C#N)ccn2)c(C)c1 516987290 NOLACRFNSLXZDB-AWEZNQCLSA-N 265.360 3.768 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1Cc1cccc(C#N)c1 522467195 ATVPMKVGWZDQRN-HNAYVOBHSA-N 276.383 3.936 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 522908539 PQBOWLBKUILMSV-FMKPAKJESA-N 284.403 3.952 30 20 CHED CCC(CC)(CC)NC(=O)Nc1ccc(C#N)cc1 525642022 YEGPREDDDJMNIT-UHFFFAOYSA-N 259.353 3.649 30 20 CHED C=C(C)CNC(=O)Nc1ccc2c(c1)CCC1(CCC1)O2 529173067 DWDXEMHSSJWBNK-UHFFFAOYSA-N 286.375 3.632 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CC23CCCC3)s1 531330164 FZNBCRQZKKWKEQ-GFCCVEGCSA-N 274.389 3.701 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C#N)s1 531385729 MKUJNGBOIIFOEH-AAEUAGOBSA-N 276.405 3.661 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnc2c(cnn2C(C)C)c1 531569269 RLWZOPDOSQUFLK-UHFFFAOYSA-N 298.390 3.719 30 20 CHED CCCOc1cccc(CCNCc2ccc(C#N)cc2)c1 532905226 PBRQMIOTTYAYNC-UHFFFAOYSA-N 294.398 3.679 30 20 CHED CC(C)[C@H]1C[C@H](Nc2c(Cl)cccc2C#N)CCO1 536660948 RCTTXZYBPBIKDX-TZMCWYRMSA-N 278.783 3.827 30 20 CHED C=C(CC)CN(C)Cc1ccc(Br)s1 536882920 ZLTCGXISUDMNSU-UHFFFAOYSA-N 274.227 3.909 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[C@H](SC)C1 537187708 UOPYNSKUOODLOJ-IHRRRGAJSA-N 284.469 3.705 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)C[C@H](C)CC 537266635 HTPFFOYLWPWUIF-KGLIPLIRSA-N 254.418 3.809 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c(C)c1 537405250 ABJUNNSQQGATGV-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C=C(CC)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 539111442 DGKUDCQIKJSCSM-NSHDSACASA-N 288.416 3.549 30 20 CHED C=CCCC[C@H](C)NC(=O)c1sc(CCC)nc1C 539440980 QIAVYQDCDILADF-NSHDSACASA-N 280.437 3.879 30 20 CHED CC1(CNCc2ccc(C#N)cc2F)Cc2ccccc2C1 539853973 JRKDCBNRKAJHPE-UHFFFAOYSA-N 294.373 3.592 30 20 CHED CCCCOc1ccc(CN2CCC(CC#N)CC2)cc1 541920782 UJFUOPBPSVZOAM-UHFFFAOYSA-N 286.419 3.991 30 20 CHED C=CCC[C@@H](C)NCCc1c[nH]c2c(C)cccc12 543590957 AAOUBZUVNVRXKF-CQSZACIVSA-N 256.393 3.963 30 20 CHED C=CCCCc1nc(CCCc2ccsc2)no1 546506946 ANWGCMXPDRISTO-UHFFFAOYSA-N 262.378 3.815 30 20 CHED Cc1cc(F)cc(-c2noc(-c3cccc(CC#N)c3)n2)c1 547026451 CTSXLNTVGFYKDV-UHFFFAOYSA-N 293.301 3.917 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCCC2(CCCCC2)C1 549676497 AIDOMRGFZSWAFT-UHFFFAOYSA-N 288.439 3.713 30 20 CHED Cc1cccc2ncnc(N3CCc4ccc(C#N)cc43)c12 550430446 AGVHHPWUQNOZKC-UHFFFAOYSA-N 286.338 3.504 30 20 CHED C[C@@H]1COCC[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 553650178 LGKIWUCYKHYDAK-ZYHUDNBSSA-N 298.308 3.662 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C(C1CCC1)C1CCC1 554739535 USJWAJWXXCVWRJ-KRWDZBQOSA-N 276.424 3.647 30 20 CHED N#CCCCC(=O)Nc1ccc(Cl)c2cccnc12 555254799 LPMOWBQMLJVUDU-UHFFFAOYSA-N 273.723 3.521 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(Cl)cn1 558480924 SSKBZNPFCRSGCE-UHFFFAOYSA-N 276.767 3.559 30 20 CHED N#Cc1cc(N2CCC[C@@H]2C2CCCCC2)ccn1 561129360 JKLWCPHMHRMGGX-MRXNPFEDSA-N 255.365 3.502 30 20 CHED CCc1nc(C)cc(Nc2ccc(C(C)(C)C#N)cc2)n1 561143574 ARUTYFXQIIWHKD-UHFFFAOYSA-N 280.375 3.892 30 20 CHED CC(C)(C)N1CCCN(c2ccc(Cl)cc2C#N)CC1 562259209 ISDXEHXXULRWKW-UHFFFAOYSA-N 291.826 3.522 30 20 CHED COCCCCCSc1cccc(F)c1C#N 566808700 XMXDIFJCWVOLEL-UHFFFAOYSA-N 253.342 3.606 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1c1cccc(C#N)n1 574214744 KYQNOBMNELGECX-STQMWFEESA-N 257.381 3.604 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2cc(C#N)c3ccccc3n2)C1 576070765 BIJGHOBIGWOOTL-LBPRGKRZSA-N 293.370 3.871 30 20 CHED Cc1ccccc1C1(CNCCC#N)CCCCC1 580304667 QKMGTZNXOZJFHB-UHFFFAOYSA-N 256.393 3.700 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@H](C)C(C)(C)C1 581382254 DUWRMCWJAHCBJA-CYBMUJFWSA-N 288.439 3.604 30 20 CHED C[C@H](NC(=O)CCCCCC#N)C1CCCCC1 588159282 JCITVULAUJPNMX-ZDUSSCGKSA-N 250.386 3.545 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 588269876 DJNKWXQNZHXQFR-MRXNPFEDSA-N 288.366 3.963 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2csc(Cl)c2)o1 588559035 UMNIEHFDHWUVCG-RQOWECAXSA-N 296.731 3.677 30 20 CHED Cc1cc(Cl)cc(C)c1/C=C\C(=O)c1ccnn1C 588595144 RGUBVVQKNDQWQH-PLNGDYQASA-N 274.751 3.586 30 20 CHED C[C@@H](ON=Cc1ccccc1F)c1ccc(C#N)cc1 588614585 QQZVYDAPNHSOLH-GFCCVEGCSA-N 268.291 3.809 30 20 CHED CCN(CC(C)(C)C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 589791138 RFRZZEXQXYZHOP-MRXNPFEDSA-N 299.418 3.623 30 20 CHED COc1cc(CN2CCC[C@@](C)(C#N)C2)cc2ccccc12 590649081 QDYTVRKZLLOWNX-IBGZPJMESA-N 294.398 3.974 30 20 CHED C[C@@H]1c2c(sc(NC(=O)[C@H]3C[C@H]3C)c2C#N)CC[C@H]1C 591003950 PZERKEQNWKTQJW-ZNSHCXBVSA-N 288.416 3.900 30 20 CHED C=C(C)CN(CC)C(=O)CCCCCc1ccc(O)cc1 591421474 FLEWRRLXRDMYPC-UHFFFAOYSA-N 289.419 3.920 30 20 CHED Cc1nc(N[C@@H]2CC[C@H](C#N)C2)c2c3c(sc2n1)CCC3 591826514 MOTYNJNYMCTTSH-WDEREUQCSA-N 298.415 3.593 30 20 CHED N#CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1ccc(Cl)cc1 592653425 UJYVEXCCAMKZPP-XUJVJEKNSA-N 288.778 3.633 30 20 CHED C[C@H](C#N)CN(C)C(=O)CCCc1ccc2c(c1)CCCC2 593417754 ZGDNGCQITNXARO-OAHLLOKOSA-N 298.430 3.506 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCc1ccc(-c2ccccc2)o1 594098655 XFVDKINNCKAAJM-HNNXBMFYSA-N 296.370 3.640 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc(C2CCC2)no1 594534198 WYGSIGUBIAKPGB-NSHDSACASA-N 267.332 3.555 30 20 CHED N#CC[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 595623155 JCRBIDRTMPUHSL-AWEZNQCLSA-N 297.427 3.936 30 20 CHED COc1ccc([C@@H](NCC2(C#N)CC2)c2ccccc2)cc1 595635963 PEZSBEVIMIZVQT-SFHVURJKSA-N 292.382 3.678 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)N1CCC[C@H](CC#N)C1 596857935 CKSUSNRMBWPJHX-CYBMUJFWSA-N 296.374 3.634 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1cc2cc(Cl)ccc2s1 597188038 JWLFOYQNAYSULR-NSHDSACASA-N 292.791 3.833 30 20 CHED N#C[C@H](NC(=O)c1ccc(C2CC2)cc1)C1CCCCC1 597343456 ZGSIXRBRUDNGIZ-KRWDZBQOSA-N 282.387 3.766 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)[C@H](C)Cc1ccc(C#N)cc1 598463273 UNPVXVHMZOKFLW-RVKKMQEKSA-N 298.430 3.916 30 20 CHED CC(C)(C#N)C[C@H](O)CSc1ccc2ccccc2n1 598704206 MNLAGEMRSCIXCI-ZDUSSCGKSA-N 286.400 3.628 30 20 CHED Cc1ccc(C(C)(C)CN[C@H](C)c2cccc(C#N)c2)nc1 599072015 WQXZTZGIIHZBOL-OAHLLOKOSA-N 293.414 3.890 30 20 CHED CC(C)CCN(CCC#N)Cc1cccnc1C(F)(F)F 599308302 UMVKNPMYRBPQHF-UHFFFAOYSA-N 299.340 3.862 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)Cc1ccc(C)cc1C 599407747 WZVXINAEMVPBNM-HNNXBMFYSA-N 286.419 3.681 30 20 CHED C=CCCCCCN(C)C(=O)C(C#N)(CC)CC 599543623 UWCYSYDAPLKREP-UHFFFAOYSA-N 250.386 3.521 30 20 CHED C[C@@H](CCC#N)CNCc1csc(-c2ccccc2)n1 602531298 BWFQESKUTDBYFQ-ZDUSSCGKSA-N 285.416 3.840 30 20 CHED CC(F)(F)CCC(=O)Nc1ccc(Cl)c(C#N)c1 603732911 FNAOIWKZYFTONL-UHFFFAOYSA-N 272.682 3.586 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccccn2)cc1 604907494 RQSYBJWXQSQHAE-ZDUSSCGKSA-N 297.358 3.960 30 20 CHED Cc1ccc(CCNc2ncc(C#N)cc2Cl)c(C)c1 608885383 MIWIBCHRYMDPCL-UHFFFAOYSA-N 285.778 3.878 30 20 CHED C[C@H]1c2ccccc2OCCN1Cc1cccc(C#N)c1 609145762 NWPWZUMPTFYGSM-AWEZNQCLSA-N 278.355 3.514 30 20 CHED CCCOc1ccccc1NCCOc1ccc(C#N)cc1 609221161 BKEZQZULRXRVTA-UHFFFAOYSA-N 296.370 3.838 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 610713066 XWBLCRIDVILLLP-GDBMZVCRSA-N 274.339 3.509 30 20 CHED N#Cc1ccc(N2CCS[C@@H](c3ccccc3)C2)cc1 611030404 RGCORWLPVNLSDP-QGZVFWFLSA-N 280.396 3.853 30 20 CHED CC(C)[C@@H](C#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 611252463 JCIAULBMBSCBAY-BXKDBHETSA-N 299.201 3.761 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(F)cc3cccnc23)C1 617781314 JXFMOMQKZBCBBA-ZDUSSCGKSA-N 298.361 3.802 30 20 CHED Cc1cccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1C 618784819 VHEAMNBNLKHUQZ-GOSISDBHSA-N 290.366 3.592 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1NC(C)C)OCC 618883933 DDCRXWVFNHUGFR-INIZCTEOSA-N 290.407 3.817 30 20 CHED C=CCN(C(=O)c1ccc2oc(C)nc2c1)C(C)(C)C 622944805 GIGDEUHGGDTOHB-UHFFFAOYSA-N 272.348 3.563 30 20 CHED C=C[C@H](C)N[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 638750456 ULOPABPTQPXRSV-QILLFSRXSA-N 270.420 3.519 30 20 CHED C=C(C)CCc1noc(COC[C@H](C)c2ccccc2)n1 650599864 GEOQPTKZISMRGS-AWEZNQCLSA-N 286.375 3.899 30 20 CHED C=CCN(Cc1nc(-c2ccccc2C)no1)C(C)(C)C 661755486 NBZMAIBRQRMJRP-UHFFFAOYSA-N 285.391 3.832 30 20 CHED C=CCC[C@H](CC)NCc1cnccc1C(F)(F)F 663473272 GEFKTABIYQNAIJ-LBPRGKRZSA-N 272.314 3.935 30 20 CHED C=CCN(C(=O)Nc1cccc2ccccc12)[C@H](C)COC 664320584 KPXMWTJPEPTKMJ-CQSZACIVSA-N 298.386 3.895 30 20 CHED CC(=O)c1ccc(C#N)c(N2[C@H]3CC[C@H]2CC(C)C3)c1 664593883 UJCOIZFKZRZBSE-HOTGVXAUSA-N 268.360 3.528 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1c[nH]nc1C 666238557 MPMBCFKRKCERRC-XJKSGUPXSA-N 269.392 3.556 30 20 CHED CC#CCCNC(=O)Nc1ccc(-c2ccccc2)c(C)n1 685677672 FANQVBGSLJIJQZ-UHFFFAOYSA-N 293.370 3.592 30 20 CHED C#CCCCNC(=O)c1sc2cc(F)ccc2c1Cl 700594965 UIMXDYHIAAYFEX-UHFFFAOYSA-N 295.766 3.837 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 726478758 QECGIUIBASJQDX-NXEZZACHSA-N 295.839 3.933 30 20 CHED Cc1cc(C=NNC2CCCC2)cc(C)c1OC(F)F 727652072 IFIAQZFEAMWFKB-UHFFFAOYSA-N 282.334 3.771 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)ccc1O 728231144 INSZDTGSNUUMOD-ALCCZGGFSA-N 283.283 3.505 30 20 CHED Cc1ccc2c(c1)CCCN2Cc1ccc(OCC#N)cc1 729266898 TWAMEOISVYWSAT-UHFFFAOYSA-N 292.382 3.850 30 20 CHED C=C(C)COC(=O)/C=C/c1ccccc1O[C@H](C)CC 729870593 FFVROGKHKPJFLS-PLSXKVAHSA-N 274.360 3.996 30 20 CHED C#CCOC(=O)[C@H](Oc1ccccc1CC)c1ccccc1 730626194 ZXRFITXIAWWEOS-GOSISDBHSA-N 294.350 3.546 30 20 CHED C=C1CCN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 731032011 AXYHCIKHENJOEA-UHFFFAOYSA-N 286.419 3.575 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1csc([N+](=O)[O-])c1 731319863 ROIAOGDWVBGQNU-DJWKRKHSSA-N 291.303 4.000 30 20 CHED C/C=C\C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731331439 FXNCQXPSUKLACX-RQOWECAXSA-N 278.311 3.865 30 20 CHED CCCC(C)=NNc1nc(-c2ccc(Cl)cc2)no1 732926166 ZUMCTDNUXIMSPR-UHFFFAOYSA-N 278.743 3.978 30 20 CHED C=C(C)COC(=O)CCCCCc1ccc(O)cc1 733486073 KQPDVGVSNQSXBY-UHFFFAOYSA-N 262.349 3.614 30 20 CHED Fc1cccc(-c2nc(CON=C3CCC3)co2)c1 735490024 PWSGCTPNJBIMDU-UHFFFAOYSA-N 260.268 3.537 30 20 CHED CCCCCCCCN(C[C@@H]1CCOC1)C1CC1 740875042 ZZVUULAFPIWBPP-HNNXBMFYSA-N 253.430 3.848 30 20 CHED CCO[C@@H]1CC(=NNc2ccccn2)C12CCCCC2 741455842 MTZJOOJKWNRUMA-CQSZACIVSA-N 273.380 3.609 30 20 CHED C[C@@H](NC(=O)/C=C\c1ccccc1C#N)C1CCCCC1 741596976 PXAJCXWZJBOGCF-XMXAVACDSA-N 282.387 3.656 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1c(F)cccc1F 741764316 ZIXUBZQGOVHZTL-UHFFFAOYSA-N 296.708 3.553 30 20 CHED COc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1C#N 741844666 RQKLNOJFJRWMFN-NVNXTCNLSA-N 289.334 3.698 30 20 CHED C=CCSCCNC(=S)Nc1ccccc1Cl 745018718 DTIFBJKHNOAQDQ-UHFFFAOYSA-N 286.853 3.546 30 20 CHED Cc1cccc(NN=C2CCc3ccccc3C2)c1 745843438 HZUKHFCQJQXJEK-UHFFFAOYSA-N 250.345 3.952 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 746369212 ORTQUCBWGLSVML-LLVKDONJSA-N 284.319 3.581 30 20 CHED C#CC[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(C)C 747189450 LYQQOFBVNMPIEJ-QGZVFWFLSA-N 283.371 3.692 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)O[C@H](C#N)C2CC2)cc1 747788433 NQNKNNXUICZPBN-HKUPYCBJSA-N 283.371 3.843 30 20 CHED CCC/C(C)=C\C(=O)OCc1ccc(C#N)cc1C 748923092 ZYIDJHWRIWMDKZ-WQLSENKSSA-N 257.333 3.656 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C1CC1 749032399 GACAVFOJDUVQGG-KCJUWKMLSA-N 288.347 3.658 30 20 CHED C#CCN(CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 749228697 QZDZRMSEQNXJBX-UHFFFAOYSA-N 285.174 3.789 30 20 CHED Cc1ccsc1/C=C1/Oc2ccc(F)cc2C1=O 749746020 KGFXGGYUNLJJDQ-KPKJPENVSA-N 260.289 3.812 30 20 CHED O=C(/C=C\c1coc(-c2ccccc2)n1)c1cccnc1 749886255 JBZGLDAVOIZYKM-HJWRWDBZSA-N 276.295 3.633 30 20 CHED FC(F)(F)C(=NOC[C@@H]1CCCCO1)c1ccccc1 751966465 XXFWWRCUUJDLGE-LBPRGKRZSA-N 287.281 3.539 30 20 CHED COc1ccc(CCC(C)=NNc2ncccc2C)cc1O 754980586 RAXGEHKKPBODOD-UHFFFAOYSA-N 299.374 3.525 30 20 CHED C#CCOCCC(=O)Nc1ccc2c(c1)oc1ccccc12 755512572 PCKBXLBLWPNXAF-UHFFFAOYSA-N 293.322 3.564 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)COc2c(F)cccc21 755589842 DGQGUOTWQYQVPF-ONNFQVAWSA-N 290.240 3.763 30 20 CHED CC(C)(C)CC(=NNC1CCOCC1)c1ccccc1 757594911 ZCQFDVLSGVYCEV-UHFFFAOYSA-N 274.408 3.596 30 20 CHED CCCC1CCC(C=NNc2ncc(F)cn2)CC1 760246051 DMPWCESDDDSZSJ-UHFFFAOYSA-N 264.348 3.620 30 20 CHED N#CC1(C(=O)OCc2cccc(C(F)(F)F)c2)CCCC1 760528858 LFKOHQRVXNOWJA-UHFFFAOYSA-N 297.276 3.833 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)C(CC)(CC)CC 761482735 SADRQVAFWGOGJC-AWEZNQCLSA-N 297.439 3.559 30 20 CHED CO[C@H](C)C(C)=NNc1ccccc1C(F)(F)F 763104816 GGITZXBIECKFCD-SECBINFHSA-N 260.259 3.528 30 20 CHED Cc1noc(C)c1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 763291302 WBAONNSVRVYWBD-BPKVKKHESA-N 279.339 3.991 30 20 CHED C=CCOc1ccc(COC(=O)[C@H]2CCCCS2)cc1 763639238 CLFDUDODVQQYOV-OAHLLOKOSA-N 292.400 3.580 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccc(C#N)cc1 764717157 VYSBZETUILHTTM-UHFFFAOYSA-N 283.762 3.725 30 20 CHED C#CCCCNc1ccccc1C(=O)N(C)C1CCCCC1 766727079 YESVMBJQOXHPGD-UHFFFAOYSA-N 298.430 3.917 30 20 CHED Cc1cncc(C(=O)/C=C/c2coc(-c3ccccc3)n2)c1 767367438 NVRHDQKGUXXNFL-BQYQJAHWSA-N 290.322 3.941 30 20 CHED C[C@H]1CCC(=NNc2cc(Cl)ccn2)C[C@@H]1C 767386813 VZANRNOSTMUUDV-UWVGGRQHSA-N 251.761 3.959 30 20 CHED N#Cc1cccnc1Oc1ccccc1NC/C=C\Cl 767809764 BECZUNOSTCEFSA-YWEYNIOJSA-N 285.734 3.910 30 20 CHED C=CCN(Cc1cccc(OC)c1OC(C)C)C(C)C 768547809 PWQSBJCNUYIASC-UHFFFAOYSA-N 277.408 3.879 30 20 CHED C(CC[C@H]1C[C@H]2CC[C@H]1C2)=NOCc1cccnc1 768784644 SNHLCKMXGILZHF-KBMXLJTQSA-N 258.365 3.800 30 20 CHED C#CC[C@H](NC(=O)C[C@@H]1CCC[C@@H]1C)c1ccccc1 769454067 UISWSCQVHIWBAL-XIRDDKMYSA-N 269.388 3.694 30 20 CHED CCOc1cccc(C=Nc2cccc(OC)c2F)c1O 769717764 AQMUGGSQPNNJRK-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CC(C)(Cc1ccccc1)C(=O)Oc1ccc(C#N)cc1F 769738075 KHHGFINFIHSKBF-UHFFFAOYSA-N 297.329 3.872 30 20 CHED Cc1c(C#N)cccc1NC(=S)Nc1ccccc1 769796249 UIHFAQYSEPFVRC-UHFFFAOYSA-N 267.357 3.676 30 20 CHED C[C@@H](CCSc1ccccc1)OC(=O)C1(C#N)CCC1 770020092 JDMONCIWRGOYNK-ZDUSSCGKSA-N 289.400 3.794 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1cnccc1C 771558083 UJPJBZJANGTTCB-UHFFFAOYSA-N 273.767 3.557 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H](CC)C2CC2)c1 772985785 YWBZUBREGPDKNB-DOTOQJQBSA-N 272.392 3.646 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)[C@H](O)c1cccc(F)c1 773045158 YGGRBFUWPFVYNU-JQFCIGGWSA-N 279.399 3.972 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccccc1OC(C)C 773247959 PMTFNLLMBVQQBD-HNNXBMFYSA-N 287.403 3.845 30 20 CHED CC(CCCC(F)(F)F)=NNc1cc(C)nc(C)n1 774369308 NAKMBSUTKUJZFG-UHFFFAOYSA-N 274.290 3.614 30 20 CHED C#CC[C@@H](NCCCOc1ccccc1)c1ccccc1 775401262 XYKRZQRFCUNFOT-LJQANCHMSA-N 279.383 3.810 30 20 CHED COC(=O)c1ccccc1NN=C[C@H]1C[C@H]1c1ccccc1 776187621 VRAASYZXOJFFMV-ZBFHGGJFSA-N 294.354 3.675 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1F 776725544 CDUXAEWRJLKJDK-XQRVVYSFSA-N 287.240 3.872 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1F 776727527 ZGSDLWVBAACFRE-SREVYHEPSA-N 287.240 3.872 30 20 CHED CSc1ccccc1NC(=O)Cc1ccccc1CC#N 776734449 JHZNYUFDTXFMLE-UHFFFAOYSA-N 296.395 3.656 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1ccncc1 777448879 RZCKGUXSHMSSJF-GOSISDBHSA-N 281.403 3.663 30 20 CHED C#CCCNc1cc(Cl)ccc1OC[C@H]1CCCCO1 777623181 GYFNFMQCXGMHEW-CQSZACIVSA-N 293.794 3.723 30 20 CHED C=C(Cl)CNC(=O)CCCCCc1ccc(F)cc1 777797249 IGTHGRAERCMTNN-UHFFFAOYSA-N 283.774 3.797 30 20 CHED N#CC1(COC(=O)[C@H]2CCCc3sccc32)CCCC1 780533124 NUDFQXOUYFOJJM-ZDUSSCGKSA-N 289.400 3.795 30 20 CHED FC(F)Sc1ccc(C=NNc2ccccn2)cc1 781578311 KJRACLQABILPQK-UHFFFAOYSA-N 279.315 3.842 30 20 CHED Cc1cc(COC(=O)/C=C\c2ccccc2)ccc1C#N 782023413 IUMSZEPWSXIOIG-NTMALXAHSA-N 277.323 3.623 30 20 CHED C=CCCCCCOC(=O)Cc1ccc(OC)cc1 782622066 ZCWXFPSBCJTMTJ-UHFFFAOYSA-N 262.349 3.527 30 20 CHED COc1ccc(C)cc1C=NNc1ccc(C#N)c(Cl)c1 783877544 LUIAQTLXAANNSQ-UHFFFAOYSA-N 299.761 3.975 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 785754489 ROFNJTGMRWMWBD-CQSZACIVSA-N 297.738 3.894 30 20 CHED C#CCC1(C(=O)OCc2cccnc2Cl)CCCCC1 788215805 DTDHSTCZJUBFCU-UHFFFAOYSA-N 291.778 3.752 30 20 CHED C#CCC1(C(=O)N2CC[C@@H](C(C)(C)C)C2)CCCCC1 788243197 FUZRVNWVORWFFZ-OAHLLOKOSA-N 275.436 3.855 30 20 CHED CCOCCC=NNc1ccnc2cc(Cl)ccc12 788406949 BSDQQNWYUVHFBK-UHFFFAOYSA-N 277.755 3.713 30 20 CHED Fc1ccc(F)c(CNN=Cc2cc3ccccc3[nH]2)c1 788425998 MRVRDORPQIGVNI-UHFFFAOYSA-N 285.297 3.570 30 20 CHED C/C=C(\CC)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 789804262 LEIURFBPYKACQT-LHMMXAAASA-N 282.387 3.641 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)[C@@H]1CCOC1 790202188 OZROVPHLWFZJEX-SECBINFHSA-N 273.163 3.818 30 20 CHED COc1ccc(C)cc1C=NNCC1(C)CCCC1 793084299 KCODJSPQAIJJGA-UHFFFAOYSA-N 260.381 3.507 30 20 CHED C[C@H](NN=Cc1cc2cc(F)ccc2o1)C(C)(C)C 793114794 NPJOBFNDAUNEPG-JTQLQIEISA-N 262.328 3.930 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)C(=O)N1CCCC[C@H]1C 793523883 GUZMPMHABWTLMD-BBWFWOEESA-N 294.483 3.891 30 20 CHED CCCCCCCCNC(=O)CCc1cncc(C)c1 794403615 FHPCZAKGHMFIOQ-UHFFFAOYSA-N 276.424 3.799 30 20 CHED CSCCON=C/C=C1/N(C)c2ccccc2C1(C)C 794573741 IMEYTTUQFJNIOR-CVRFYYNDSA-N 290.432 3.663 30 20 CHED Cn1c(NN=CCc2cccc(Cl)c2)nc2ccccc21 794895972 SYZJADCKEAYGNK-UHFFFAOYSA-N 298.777 3.867 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C1/Cc2ccccc2C1=O 794927471 QVGZZXQSMTWPMY-DHDCSXOGSA-N 292.334 3.824 30 20 CHED Fc1cc(NN=C/C=C\c2ccc(F)c(F)c2)ccn1 794929655 WNURXERBUAFTAA-QHFOAYFMSA-N 277.249 3.610 30 20 CHED Cc1ccccc1C1CC(=NNc2ncccc2F)C1 794984900 OWFLDEXIHYCJIM-UHFFFAOYSA-N 269.323 3.875 30 20 CHED C#CC[C@@H](OC(=O)c1ccc2nccc(C)c2c1)C1CC1 797113361 MCGAEQWHWMJXPK-QGZVFWFLSA-N 279.339 3.502 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H]1CCOc2c(C)cccc21 797144759 OYMZJYLCALAMHQ-CQSZACIVSA-N 274.360 3.964 30 20 CHED Cc1cccc(C)c1[C@@H](C)OC(=O)c1cc(C#N)oc1C 797956797 MITXEXWRWFSBQK-CYBMUJFWSA-N 283.327 3.995 30 20 CHED CCCCCCCN1CCCC2(CCN(C)CC2)C1 799177444 PLGIWJSIQALASV-UHFFFAOYSA-N 266.473 3.765 30 20 CHED CSc1cccc(N(C)C(=O)c2ccc(C)c(C#N)c2)c1 799327805 CRKRLLHGLVIVGV-UHFFFAOYSA-N 296.395 3.865 30 20 CHED FC(F)C1CCC(=NNC(=S)Nc2ccccc2)CC1 799468025 NPOZAYBWAXKUKN-UHFFFAOYSA-N 297.374 3.784 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(Cl)nc1Cl 801550902 ICASRLUTDOVLAH-LLVKDONJSA-N 271.191 3.929 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C(/C)C(C)(C)C)cc1 804139862 NQVRJPJHRKTHPV-OWBHPGMISA-N 287.403 3.860 30 20 CHED CCCCCCCN1CC[C@@H](N2CCCC2)[C@@H]1C 805766907 BVZLXNXCVLZRKD-JKSUJKDBSA-N 252.446 3.515 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](CC)C1CCOCC1 806003546 JUCDZZZKZCLCIK-INIZCTEOSA-N 296.455 3.627 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H]1CC[C@H]1C1CC1 806159226 ZXCDVOLYUFHQOB-XBFCOCLRSA-N 256.349 3.578 30 20 CHED C=CCCCCCCNC(=O)N1CCC(C)(C)C1 807569085 BPUHRNSFTQCLNV-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C#CCCCCCC(=O)N(C)C1CCC(F)(F)CC1 807877279 NVFRZRAGFZTFMS-UHFFFAOYSA-N 271.351 3.606 30 20 CHED COc1ccc(C=NNc2cccc(C)c2)c(C)c1OC 807943423 FSFCZLMWFWVTSE-UHFFFAOYSA-N 284.359 3.767 30 20 CHED CC(=NNc1ncccc1F)c1c(F)cccc1Cl 807987388 JHEDJJQLEZDPRK-UHFFFAOYSA-N 281.693 3.849 30 20 CHED N#Cc1nc(F)ccc1OCCSC1CCCCC1 808048477 VEQNJUXDTCOECX-UHFFFAOYSA-N 280.368 3.537 30 20 CHED Cc1cc(OC(=O)c2ccc(C#N)s2)c(C)c(C)c1C#N 809037015 HQBJRMWBDFUJRO-UHFFFAOYSA-N 296.351 3.636 30 20 CHED CC(C)c1ccc([C@@H](C)OC(=O)c2cccc(C#N)n2)cc1 810666979 ZCPNZQQOPYGANO-CYBMUJFWSA-N 294.354 3.995 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 811998130 URXQFGKAYUZCEB-SWLSCSKDSA-N 292.810 3.700 30 20 CHED Cc1cccc(CN(C)c2nc(Cl)c(C#N)s2)c1C 813608144 CCLYYLVXBAAEED-UHFFFAOYSA-N 291.807 3.921 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(N)nc1 814690120 UWOFADWTIRYMBR-UHFFFAOYSA-N 294.280 3.519 30 20 CHED C#CCOCSc1nc(-c2ccccc2)cs1 814728749 JXEVRQUKUZRCEM-UHFFFAOYSA-N 261.371 3.510 30 20 CHED Clc1ccc(C=NNCc2cccc3cccnc23)o1 814803547 HPIPBTBZNNLXGP-UHFFFAOYSA-N 285.734 3.605 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1nc2ccccc2n1C 814807132 HAJCJOWYCXWSNV-UHFFFAOYSA-N 296.349 3.743 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)[C@@H](C)CCCCC(=O)O 814815180 PFVUTHYTVJXFET-ZFWWWQNUSA-N 290.407 3.994 30 20 CHED FC(F)(F)CON=Cc1ccc(C2CCC2)cc1 814879929 KXDOQWIYXKDYSJ-UHFFFAOYSA-N 257.255 3.867 30 20 CHED CC(C)(C)[C@@H]1CC(=NOCc2cccnc2)CS1 814883898 GUJJMIFECUSPRU-ZDUSSCGKSA-N 264.394 3.506 30 20 CHED CC1(C)CC(=NOC/C=C/Cl)c2sccc2O1 814934681 XZZWDMBPWKJMLY-CVKONFARSA-N 271.769 3.782 30 20 CHED C1CCC2(CCCC2)C(=NNC[C@@H]2CCSC2)C1 814936064 XASDJDMWEBXELA-ZDUSSCGKSA-N 266.454 3.820 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)Cc1ccccc1Cl 819108788 NTINRENRUDRXRY-GFCCVEGCSA-N 279.811 3.990 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(CF)cc1 828453961 LZBYHIFZALHLHM-UHFFFAOYSA-N 263.356 3.975 30 20 CHED CC(=NNc1ccc(C(=O)O)c(Cl)c1)c1ccccc1 833386454 GNDQTVFGUNYMRV-UHFFFAOYSA-N 288.734 3.874 30 20 CHED COCCCC(C)=NNc1ccc(C)cc1Cl 835012623 WXEFVKXZUTYWSJ-UHFFFAOYSA-N 254.761 3.863 30 20 CHED C#CC(C)(C)NC(=O)Nc1cccc(Cl)c1Cl 836201753 OYKAHRVRWLQLTR-UHFFFAOYSA-N 271.147 3.527 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2ccccc2Cl)C1 839043146 KDBSIBPMSAZQGB-WCQYABFASA-N 277.751 3.508 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839057656 PNUMWIFXLFOHFW-CHWSQXEVSA-N 282.343 3.716 30 20 CHED Cc1ccnc(NN=C[C@@]2(C)C[C@@H]2c2ccccc2)c1 841629832 WJNZDPJNZATAKZ-NVXWUHKLSA-N 265.360 3.982 30 20 CHED COc1cc(Cl)c(F)c(C(=O)O[C@H](C#N)C(C)(C)C)c1 842334319 VGEYEHKZZUOTSN-LLVKDONJSA-N 299.729 3.583 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(Cl)ccc1OCCC 844511570 OOMNEZAVQDWETQ-JTQLQIEISA-N 298.770 3.756 30 20 CHED COC(=O)Cc1ccc(NN=C2CC(C)(C)C[C@@H]2C)cc1 844605420 DVBQAYBUYCXFAL-LBPRGKRZSA-N 288.391 3.626 30 20 CHED C=C(C)CONC(=O)N[C@H](CC)c1ccc(Cl)s1 845596729 AEJSPJVKRUVNKM-SECBINFHSA-N 288.800 3.660 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 845624943 VONMHPKFLGCKKC-IMJJTQAJSA-N 288.391 3.518 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C=C\c1ccc(C(C)(C)C)cc1 847167257 IBVUMGPVCYUPJV-HMWXGYMHSA-N 284.403 3.758 30 20 CHED C[C@]12CCN([C@H](C#N)c3ccccc3)C[C@H]1C2(Cl)Cl 852023516 MERBBFZTZFQKAU-MCIONIFRSA-N 295.213 3.767 30 20 CHED Fc1ccc(NN=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc1 853305126 PRTYETCPBNTEEE-NXEZZACHSA-N 289.276 3.987 30 20 CHED CC(=NN1CCCC[C@@H]1C)c1ccc(C(F)F)nc1 853384220 IRZGKROUOZWVKW-JTQLQIEISA-N 267.323 3.618 30 20 CHED Cc1ccc(F)cc1NN=C1[C@H]2CCCO[C@H]2C1(C)C 853394071 WTMQYZXULBTYFN-IUODEOHRSA-N 276.355 3.737 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1ccc(OCC)cc1 853782445 BFWKXXXBLQLONH-LLVKDONJSA-N 299.823 3.898 30 20 CHED CC(C)c1ccccc1C(=O)NCC(C)(C)CCC#N 854474713 HCGCPNYXHKSFKT-UHFFFAOYSA-N 272.392 3.870 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(SC(F)F)cc1)C1CC1 855584898 XQRBXTGFBVGPPH-SECBINFHSA-N 296.342 3.518 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2ccc(C)o2)CCCC1 855927498 RBZYWOCGRNUGCO-CYBMUJFWSA-N 261.365 3.697 30 20 CHED C=CCCONC(=O)C(C)(C)Cc1ccc(Cl)cc1 856027329 INVYYMIYHKSVHT-UHFFFAOYSA-N 281.783 3.533 30 20 CHED C/C(=C/C(=O)OC1(CC#N)CCC1)c1cccs1 857025894 DMKZBGJAWFHKEG-KHPPLWFESA-N 261.346 3.531 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 860198492 WLTFDKIKKJBGJT-JTQLQIEISA-N 281.302 3.899 30 20 CHED C=CCC1(C(=O)OC2CCC(F)(F)CC2)CCC1 860973142 NLLHXXOSLDXIGH-UHFFFAOYSA-N 258.308 3.854 30 20 CHED C=CCCCC(=O)N[C@@H](CCc1ccccc1)C(F)F 862809838 NTQNUDZBZZTSFC-AWEZNQCLSA-N 281.346 3.725 30 20 CHED Fc1ccc(F)c(C=NNC2CCCCC2)c1Cl 863107100 COFMVXKIPJHMBM-UHFFFAOYSA-N 272.726 3.874 30 20 CHED F[C@H]1CCCC1=NNc1ncnc2c1oc1ccccc12 872338120 VDGZFMSXXHBQIC-JTQLQIEISA-N 284.294 3.666 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnccc1C(F)(F)F 880966156 OCMMDWXHORQFIS-VIFPVBQESA-N 287.285 3.577 30 20 CHED C=CC(C)(C)CC(=O)OCc1nc([C@H](C)SCC)no1 884650078 XWJGXNOQJNYTPO-JTQLQIEISA-N 298.408 3.529 30 20 CHED C=CCCCCCOC(=O)[C@H]1CCOC2(CCC2)C1 885667270 IZFOCNQMSKYCME-AWEZNQCLSA-N 266.381 3.625 30 20 CHED C=C1CCC(C(=O)N2Cc3ccccc3OC[C@@H]2C)CC1 889903448 YVXHAZUALHXKFA-AWEZNQCLSA-N 285.387 3.543 30 20 CHED N#Cc1ccc2c(n1)CCCN2C(=O)CCCC1CCCC1 892405347 RLKHVAARXUFWML-UHFFFAOYSA-N 297.402 3.593 30 20 CHED CC(C)CCN1CCC(Nc2ccc(CC#N)cc2)CC1 893576783 VBJSJNUUYAJEBE-UHFFFAOYSA-N 285.435 3.675 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2nc(C)c[nH]2)cc1 898384559 IDHACAZDAPAIBA-UHFFFAOYSA-N 295.386 3.907 30 20 CHED CCn1cncc1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 901488825 INUCIBBWFXUNCX-BRYYZUPOSA-N 278.355 3.603 30 20 CHED C=CCN(C(=O)c1cccc(C(F)(F)F)c1)C(C)C 914683296 NZYJLWKUATYNMJ-UHFFFAOYSA-N 271.282 3.742 30 20 CHED CC(C)[C@H](C/N=C\c1cccc(O)c1O)c1ccccc1 915112805 GXTKYRXPIAXLOM-YLRSXTQRSA-N 283.371 3.957 30 20 CHED Fc1ccc(CNN=Cc2ccc(Cl)cc2)cc1F 915976158 ZWKZRCHWUKMJDO-UHFFFAOYSA-N 280.705 3.742 30 20 CHED CCCOc1ccc(C=NNc2ccccc2)cc1OC 916246027 UUXDMXAEDZGDQZ-UHFFFAOYSA-N 284.359 3.930 30 20 CHED CCc1nnc(S)n1N=CC[C@@H](C)CCC=C(C)C 916301210 YAFJNMAVPDHKHL-LBPRGKRZSA-N 280.441 3.736 30 20 CHED C(CCc1ccccc1)=NNc1ncnc2sccc12 916368330 MBFUWYGXRMCPFL-UHFFFAOYSA-N 282.372 3.722 30 20 CHED N#CC1(CCCCN2CC[C@H](c3cccnc3)C2)CCC1 930813657 CBLSHYNNFHKINO-KRWDZBQOSA-N 283.419 3.735 30 20 CHED C[C@@H](c1ccc(Br)cc1)N1CCC[C@H](C#N)C1 932155010 VCSSDBBOWRXPRT-NWDGAFQWSA-N 293.208 3.746 30 20 CHED C=CC1CCN(C(=O)c2c[nH]cc2Cc2ccccc2)CC1 932503707 BAVKKWIRBBPMRE-UHFFFAOYSA-N 294.398 3.644 30 20 CHED CC1(CCC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 933857490 LNOMFRJLZPERQJ-DLBZAZTESA-N 296.414 3.865 30 20 CHED CCc1ccc(-c2nnc(C#CC(C)(C)C)o2)cc1 1118425232 CNMSDLQJMYHLPI-UHFFFAOYSA-N 254.333 3.697 30 20 CHED C=C(C)CCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1120716427 JBRKHDFCRDOFFA-RHSMWYFYSA-N 287.403 3.961 30 20 CHED Cc1cc(C)c2cc(C(=O)OCC(C)(C)C#N)sc2n1 1122893952 GDASMHBTTKNFNP-UHFFFAOYSA-N 288.372 3.620 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)c1cccc(C(F)F)c1 1129638662 AXOLEXRXVAJLGE-UHFFFAOYSA-N 298.292 3.699 30 20 CHED COc1cc(OCc2ccc(C)c(C)c2)ccc1C#N 1166086146 PYSOCFUAZFMWNS-UHFFFAOYSA-N 267.328 3.763 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2ccc(F)c(C#N)c2)c1 1199705533 NWBHUTNTLVJGPD-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)C1 1264797850 ZOWDNAZBLQWDMB-NEPJUHHUSA-N 290.794 3.768 30 20 CHED CC1(F)CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1307176601 DGCATSSAXNNBQS-UHFFFAOYSA-N 275.371 3.579 30 20 CHED CS[C@H](CNCc1cccc(F)c1C#N)C(C)(C)C 1308685691 OBQMEVVQVLKVEB-CQSZACIVSA-N 280.412 3.565 30 20 CHED C[C@@H](c1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C 1322325317 MXMJBEMQVNCXBR-JTQLQIEISA-N 255.321 3.758 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(C(C)=O)cc1 1325459548 XDIFRROURWVFDC-INIZCTEOSA-N 260.333 3.535 30 20 CHED N#CCc1cccc(N[C@@H]2C[C@H]2c2ccccc2Cl)n1 1328056989 RBKHQWCOKDNLBB-DZGCQCFKSA-N 283.762 3.769 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1csc(C#N)c1 1330537352 VGAPPQQCRZZYNP-UHFFFAOYSA-N 284.384 3.591 30 20 CHED C=C(C)CCC(=O)Nc1cc(-c2nc(CC)no2)ccc1C 1335840340 PADVDOGAPMFYTD-UHFFFAOYSA-N 299.374 3.902 30 20 CHED CCCCCCCC[C@H](N)C(=O)Nc1c(C)noc1CC 1340307529 VURYABAVXTYOOR-ZDUSSCGKSA-N 295.427 3.562 30 20 CHED C[C@]1(CCOC(=O)c2ccc(C#N)cc2F)C[C@]1(F)Cl 1343754273 HXIUXLMUTQIOTO-UONOGXRCSA-N 299.704 3.559 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc2[nH]ccc12 1347523409 XMMATJLELOAMGY-CYBMUJFWSA-N 268.360 3.739 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)c1cccc(C)c1C 1350087848 NSOQJZKYVMUSAC-UHFFFAOYSA-N 296.345 3.981 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)c1cc(C)cc(C)c1 1355659010 XWUKFDQMRDILHJ-UHFFFAOYSA-N 296.345 3.981 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc(C2CC2)c1 1515554162 ZHARVBSEYWAXBH-UHFFFAOYSA-N 276.339 3.996 30 20 CHED N#Cc1sccc1C(=O)Nc1ccc(Cl)c(F)c1 1515866013 MZHJYZBRRCFWDL-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)O[C@H](CC#N)c1ccco1 1520425065 HIZVWIYNPLPGDI-UKRRQHHQSA-N 291.347 3.515 30 20 CHED C=CCn1c([C@@H]2CC=CCC2)nnc1N1CCCC2(CC2)C1 1520556247 YTWKRKODBQVLAU-OAHLLOKOSA-N 298.434 3.668 30 20 CHED CCc1ccccc1NC(=O)[C@H](CC#N)c1ccccc1 1522422219 KCCJWGMVEXCPIF-MRXNPFEDSA-N 278.355 3.885 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccccc1NCc1ccccc1 1523861887 JLZOXJFGFFOORU-AWEZNQCLSA-N 294.354 3.758 30 20 CHED CC1(C)CCC[C@@H]1C(=O)O[C@H](CC#N)c1ccco1 1526993017 PBNKYCMXGRQBRI-DGCLKSJQSA-N 261.321 3.604 30 20 CHED CSc1cc(C)c(C(=O)Nc2ccc(C#N)c(F)c2)o1 1527515306 IOLYBTHXWMDAEA-UHFFFAOYSA-N 290.319 3.573 30 20 CHED CCN1CCC(CN(CC)[C@H](C)c2ccc(C#N)cc2)CC1 1560685720 VVXNGOZGDWJVOK-MRXNPFEDSA-N 299.462 3.673 30 20 CHED C[C@@H](CC(C)(C)C)N[C@H]1CCc2cc(C#N)ccc21 1560805507 HSCKOHZWPZOECM-LRDDRELGSA-N 256.393 3.960 30 20 CHED CC(C)c1cc(NC(=O)c2ccc(Cl)c(C#N)c2)no1 1586726773 QEORCGNSQPKWIK-UHFFFAOYSA-N 289.722 3.575 30 20 CHED C=CCCCCCCNc1cccc(F)c1-c1nn[nH]n1 1588593712 HQGUVKNPXPSYEU-UHFFFAOYSA-N 289.358 3.554 30 20 CHED CCC[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 1603139608 BPJTXYLAERQLPK-CQSZACIVSA-N 288.416 3.707 30 20 CHED CCCC[C@H](S[C@@H](C)c1cccc(C#N)c1)C(=O)O 1609966167 FHMDWKAIGXWGGG-FZMZJTMJSA-N 277.389 3.996 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2ccnc(C#N)c2)cc1 1642326726 ZAYPBLDXZXYJAW-UHFFFAOYSA-N 279.387 3.676 30 20 CHED N#C[C@H](CCc1ccccc1)Sc1ncc2ccccn12 1643430879 XGQCEGFCRSCGKD-INIZCTEOSA-N 293.395 3.951 30 20 CHED CN(Cc1ccccc1F)[C@H](C#N)c1ccccc1 1653178817 NMFPOTONQMQDQJ-MRXNPFEDSA-N 254.308 3.522 30 20 CHED Cc1ccc(C=NN[C@H]2CCCCC2(C)C)cc1C(=O)O 1776056852 UIPWYFOUZLCPGZ-HNNXBMFYSA-N 288.391 3.586 30 20 CHED CC(C)c1ccc(NN=Cc2cccc(C(=O)O)c2)cc1 1776060296 NSICCHBSLJMYRN-UHFFFAOYSA-N 282.343 3.954 30 20 CHED C[C@H]1CCCCC1=NNc1ccc(F)c(C(=O)O)c1 1776062003 ZFNLLHRXHQUCJZ-VIFPVBQESA-N 264.300 3.502 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@@H]2CCCc3ccccc32)C1 1776154635 OOIVXHMQKSBCMF-MJGOQNOKSA-N 299.414 3.807 30 20 CHED CCc1cccc(/C=C\C(=O)c2cccc(C(=O)O)c2)c1 1776974787 KLNWQYOVWHRSEW-KTKRTIGZSA-N 280.323 3.843 30 20 CHED C=CCSc1nnc(-c2cccc(C)c2)n1CC=C 4345976 BXUCDUQSWFCZNC-UHFFFAOYSA-N 271.389 3.718 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1c1cccs1 7981777 ROOYPSSTZIUHIA-CQSZACIVSA-N 299.355 3.869 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccccc1C 20126343 ASRGWKALRXPMBP-INIZCTEOSA-N 279.383 3.858 30 20 CHED C[C@@H](/N=C/c1ccc(O)c(O)c1O)c1ccccc1Cl 22768915 KKXNTZXJOHCHBO-YFEDRJBBSA-N 291.734 3.637 30 20 CHED CSCc1ccc(C(=O)Nc2sccc2C#N)cc1 22915569 XDMONPVAODRAGP-UHFFFAOYSA-N 288.397 3.735 30 20 CHED C[C@@H]1C[C@@H]1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23446969 VUHBIOCONLOPIE-ACJLOTCBSA-N 291.350 3.924 30 20 CHED Cc1ccc(N[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 37298941 GPCUYBAMMXCGSL-GFCCVEGCSA-N 281.315 3.948 30 20 CHED C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 43330005 MBNRCNZTQBILBF-LLVKDONJSA-N 283.306 3.580 30 20 CHED Cc1ccc2oc(C(=O)N(CCC#N)CC(C)C)cc2c1 43419421 XNINDXABCHHFRT-UHFFFAOYSA-N 284.359 3.753 30 20 CHED CN(Cc1cccc2ccccc12)C(=O)C1(C#N)CCCC1 45388204 RDHVXLUKEUSRJA-UHFFFAOYSA-N 292.382 3.882 30 20 CHED C[C@@H](C#N)CNCc1ccc(-c2ccccc2)cc1 54179002 AOFRLWJJCRVKMP-AWEZNQCLSA-N 250.345 3.603 30 20 CHED C[C@@H](CC(=O)N(C)c1cccc(C#N)c1)c1ccc(F)cc1 63327135 GKWBMCVIVMFEBP-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc[nH]c1 68447838 OTNXLHUWMJIBSU-NSHDSACASA-N 285.372 3.519 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC1CCCCC1 69606992 KEOAPBMFFXQQOX-UHFFFAOYSA-N 271.364 3.569 30 20 CHED N#C[C@H](C(=O)c1cc2cc(F)ccc2s1)c1ccccn1 73971339 KNNQEDHTVQZDNF-LBPRGKRZSA-N 296.326 3.925 30 20 CHED CO[C@@H](CNc1nc(C)cc(C)c1C#N)c1ccc(F)cc1 75056050 FHNVMIGYHXYSLI-INIZCTEOSA-N 299.349 3.509 30 20 CHED CCOCc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 75356866 OCVFCXAZAVMBCI-UHFFFAOYSA-N 294.354 3.541 30 20 CHED CCc1noc([C@H](C)SCc2ccc(F)cc2C#N)n1 76326042 ULCMERUDPLYHHM-VIFPVBQESA-N 291.351 3.637 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)c2occc2C)cc1 78385161 YWWOWHBSLSZLIE-UHFFFAOYSA-N 298.342 3.547 30 20 CHED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1nccs1 80260945 BOSALRNPTSPXRJ-RISCZKNCSA-N 271.389 3.817 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc(-c2ccccc2F)o1 80386224 VNDUFEGINIVCAK-OAHLLOKOSA-N 287.290 3.791 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(COC)cc2)o1 83987959 NMTBUOUOKFXTEV-CSKARUKUSA-N 270.328 3.885 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)c1cc(C#N)cs1 84111616 IFYUNAGJGUZOGT-OAHLLOKOSA-N 296.395 3.769 30 20 CHED CC[C@@H]1CCC[C@@H](Nc2c(C#N)nnc3ccccc23)C1 85920691 NZABTPFUVPHQMR-CHWSQXEVSA-N 280.375 3.882 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191897 OYCDLZPIDFYKEJ-SECBINFHSA-N 284.281 3.952 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1c(C#N)nnc2ccccc12 88298908 HKXNIXHVGYMBTK-VXGBXAGGSA-N 268.364 3.738 30 20 CHED C=C(C)COCCN[C@H](C)c1cc2ccccc2o1 90451151 RBRNPBBILPSXCP-CYBMUJFWSA-N 259.349 3.676 30 20 CHED COc1ccc(CNc2cc(C)cc(F)c2)cc1C#N 91511191 VLGCWWROYMHICO-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCN(Cc1ccc(N(CC)CC)cc1)C[C@H](C)C#N 91984093 CRAQMBQPELTRMR-OAHLLOKOSA-N 273.424 3.514 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(-c2ccccc2)ccc1O 93090652 LTDIFJQTUZXYSX-AWEZNQCLSA-N 280.371 3.793 30 20 CHED CCSCC[C@H](C)N(C)Cc1cc(C#N)cs1 93871071 PWVZSPXPLUVDLL-NSHDSACASA-N 268.451 3.583 30 20 CHED CC(C)Oc1ccccc1CNCc1ccc(C#N)cc1F 105642901 LZHXZEIKJWXUOU-UHFFFAOYSA-N 298.361 3.774 30 20 CHED Cc1cccc(CN(C)c2cccc(F)c2C#N)c1 107834985 ZHAVOAIMCVVYNY-UHFFFAOYSA-N 254.308 3.642 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 107906488 GCDXMICOYRMDSV-UHFFFAOYSA-N 299.349 3.815 30 20 CHED N#CCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 108385479 UYDQRQHSVHYOJY-INIZCTEOSA-N 253.349 3.609 30 20 CHED Cc1cc(-c2noc(-c3ccc(C#N)cc3)n2)ccc1F 109557660 YLRMXDXZBYLFGJ-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C=CC1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 110969782 URSWBDQVOJGEEB-UHFFFAOYSA-N 282.387 3.823 30 20 CHED C=CCCC(=O)N[C@@H](CC)C(C)(C)c1ccccc1 120427187 LUXFJIMSBVDGMU-HNNXBMFYSA-N 259.393 3.825 30 20 CHED CCCCCCCCCNC(=O)NCc1ccncc1 128180174 UIRDEMMGLNFEDJ-UHFFFAOYSA-N 277.412 3.631 30 20 CHED CSc1ccccc1C(=O)N(C)c1ccccc1C#N 128681772 TYEAULNDARTXSW-UHFFFAOYSA-N 282.368 3.557 30 20 CHED C[C@@H](OC(=O)C1=CCCCC1)c1ccc(C#N)cc1 129160669 DRTAPZLJBWLDLL-GFCCVEGCSA-N 255.317 3.663 30 20 CHED C#Cc1cccc(NCc2nc3c(s2)C[C@H](C)CC3)c1 130531645 XSOQQNDRKXBDGU-GFCCVEGCSA-N 282.412 3.861 30 20 CHED COc1ccc(CN(CCCC#N)C(C)(C)C)c(OC)c1 132074408 UBQXMLZXCCMFKC-UHFFFAOYSA-N 290.407 3.608 30 20 CHED CCCCCCCC(=O)NCc1ccc(O)c(F)c1 132690486 RZRWECKCJDXNTG-UHFFFAOYSA-N 267.344 3.508 30 20 CHED N#Cc1ccc(CNC(=O)CC2CCCCCC2)cc1 135800147 JPBVEFRZYPQZPV-UHFFFAOYSA-N 270.376 3.535 30 20 CHED N#Cc1cccc(NCc2cc(Cl)cc3c2OCC3)c1 136409434 UFQSYGDIFYJKPQ-UHFFFAOYSA-N 284.746 3.759 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 151974776 GYPOYMYETUMWRN-GFCCVEGCSA-N 277.389 3.526 30 20 CHED CCCN(CCC)Cc1ccc(N(C)CCC#N)cc1 158053692 ZBNBYHBWIKNXTC-UHFFFAOYSA-N 273.424 3.658 30 20 CHED CCc1noc(C)c1CNc1cccc(OCCCC#N)c1 159405786 SGKDWJFMOODCAH-UHFFFAOYSA-N 299.374 3.840 30 20 CHED O=c1ccn(CC#Cc2cccc(Cl)c2)c2ccsc12 159832739 ZEVOELAXLPEDNA-UHFFFAOYSA-N 299.782 3.768 30 20 CHED CCN(CC)C(=O)[C@@H](C)Sc1ccc(C#N)cc1Cl 163316757 XPQLFAALQDADHB-SNVBAGLBSA-N 296.823 3.561 30 20 CHED N#CCCCCNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 171000014 SNGVAATWHBXNSX-ROUUACIJSA-N 292.382 3.753 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCc2cccs2)c1 171193745 OJJJPASWMSCEPV-UHFFFAOYSA-N 283.396 3.715 30 20 CHED Cc1cccc(O[C@@H](C)CNCC(C)(C)CCC#N)c1 174571652 IOSQSDUOHRUQKL-HNNXBMFYSA-N 274.408 3.682 30 20 CHED C#CCCCNC(=O)Nc1ccc(OC2CCCC2)cc1 174884406 FACIMMGLVSRCSM-UHFFFAOYSA-N 286.375 3.543 30 20 CHED N#Cc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)s1 176407682 SCZAIALUMYNYKZ-FLIBITNWSA-N 281.336 3.538 30 20 CHED CCCOc1ccc(CNCc2ccc(C#N)s2)cc1 176949413 SZRUZBYVEJNZAB-UHFFFAOYSA-N 286.400 3.698 30 20 CHED CC(C)Oc1ccc(CNCc2cc(C#N)cs2)cc1 177684306 QIXYCJUKGWTXCW-UHFFFAOYSA-N 286.400 3.697 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@@H](C#N)c2ccccc2Cl)C1 177758694 UXQHYUVENXKMFV-XUJVJEKNSA-N 290.794 3.847 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1c[nH]c(C#N)c1 181293862 ULUNMMACSCBXBD-KRWDZBQOSA-N 295.386 3.712 30 20 CHED N#CCOc1cc(F)ccc1NCc1cc(F)cc(F)c1 181544627 VIOYQNQDEDBFAG-UHFFFAOYSA-N 292.260 3.618 30 20 CHED CSCCCCCCNC(=O)C1(C#N)CCCCC1 181824887 KAUPTXXIHPYBHG-UHFFFAOYSA-N 282.453 3.500 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1cccs1 184973083 UIRXRXGHMKGSIH-ZDUSSCGKSA-N 261.390 3.605 30 20 CHED C=CCC[C@H](C)Nc1ccc(OCc2noc(C)n2)cc1 186450193 HBWSFKFLMRIBEV-LBPRGKRZSA-N 287.363 3.724 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCOc1ccccc1F 186483006 QFZCCGWQDZVQHH-CQSZACIVSA-N 298.361 3.769 30 20 CHED CC(C)Oc1ccc(NC(=O)N[C@@H](C)CC#N)c(Cl)c1 187251938 SFIJUZACVBQDHK-JTQLQIEISA-N 295.770 3.551 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 188091048 BBXFQYLGPLGVOA-LBPRGKRZSA-N 290.319 3.567 30 20 CHED C[C@H]1CCC[C@H](NC(=O)CCc2ccc(C#N)cc2)CC1 188807764 NGULCRWHLAEUMJ-YOEHRIQHSA-N 284.403 3.576 30 20 CHED C=CCC[C@@H](C(=O)NCc1ncccc1C)c1ccccc1 189130082 AFMDKIPGMRLQHA-QGZVFWFLSA-N 294.398 3.756 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@H](C)CC)s1 191882470 AKBOFBZUOQYVTF-SECBINFHSA-N 250.367 3.557 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C#N)c(F)c1 192054732 ITSIXODYOSECAO-UHFFFAOYSA-N 287.382 3.849 30 20 CHED C[C@H]1CCC[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1 229748439 RQRDMSFMTNKBID-SWLSCSKDSA-N 260.356 3.708 30 20 CHED C#CCCOc1ccc(CNC[C@H]2CC=CCC2)cc1 236684250 FNXBYQRJVMZDSL-INIZCTEOSA-N 269.388 3.535 30 20 CHED Cc1ccc(-n2ccnc2SCCCC#N)cc1C 248134022 BZNGNSCVYMQHRG-UHFFFAOYSA-N 271.389 3.885 30 20 CHED CCCOc1ccc(C=NOCCCSC)cc1OC 254953188 COQLEEBYZKRIMT-UHFFFAOYSA-N 297.420 3.588 30 20 CHED O=C(/C=C\c1cccc(Cl)c1)c1cncc(F)c1 255359415 UNSQJXDCELOBGC-PLNGDYQASA-N 261.683 3.770 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2ccsc2)cc1 255629742 ZFIIJKOANDYDRM-DAXSKMNVSA-N 271.341 3.603 30 20 CHED COCC[C@@H](C)Nc1ccccc1SC[C@H](C)C#N 267927412 MPLZREHMSUZLQV-CHWSQXEVSA-N 278.421 3.775 30 20 CHED CCCc1nc(CNc2cc(C#N)ccc2OC)cs1 267932367 WIAQSHHGTZOXNO-UHFFFAOYSA-N 287.388 3.588 30 20 CHED CC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(C#N)cc1Cl 269945804 HTFXFZCLDPLCRV-VHSXEESVSA-N 296.823 3.607 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ncc(C(C)C)s1)OCC 270238746 WECSIRWCLGCRGB-NSHDSACASA-N 282.409 3.576 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(CC#N)cc1 270263344 DQEAMQVWRATHPL-CQSZACIVSA-N 290.366 3.512 30 20 CHED CC(C)N(Cc1ccco1)Cc1ccc(C#N)s1 271062037 XPPWPCBNUJQKPW-UHFFFAOYSA-N 260.362 3.623 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1ncoc1C 271504653 HYXUBASEHNTZSP-UHFFFAOYSA-N 295.427 3.875 30 20 CHED C#CC[C@H](N[C@H](C)c1nccs1)c1ccccc1 271538693 QOKVRYHSOWYBSX-OCCSQVGLSA-N 256.374 3.558 30 20 CHED C[C@@H](NC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1 272420736 LUMWNAANIYARTQ-UWTIGNOOSA-N 272.392 3.555 30 20 CHED Cc1nc(C(C)(C)C)sc1[C@H](C)NCCCC#N 273187599 GDASRVJQPWRVKV-JTQLQIEISA-N 265.426 3.703 30 20 CHED C=CCCCCNC(=O)c1cnn([C@@H](C)CC)c1C1CC1 274515371 YSDSSXJDPCEVFY-ZDUSSCGKSA-N 289.423 3.818 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1-n1nc(C)cc1C 276326424 PTXCTDAGPDIJNQ-UHFFFAOYSA-N 298.390 3.529 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC3(CCCCC3)O2)s1 276616209 JTTHGHRSNHLDCT-CYBMUJFWSA-N 290.432 3.591 30 20 CHED CC(C)(C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)c2ccccc21 277925048 PMCBWIASMJNDEW-HNNXBMFYSA-N 293.370 3.676 30 20 CHED C=CC[C@H]1N(C(=O)c2ncccc2C)CCCC1(C)C 278527997 ZSMVBZVELOFCSL-CQSZACIVSA-N 272.392 3.597 30 20 CHED N#Cc1cccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c1 280525472 BKRURKUNFVGDGZ-SAABIXHNSA-N 280.346 3.733 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 280850175 LGBHSAWMXBTQBU-SJORKVTESA-N 284.403 3.733 30 20 CHED CCC(=O)c1ccc(Cl)c(NC(=O)[C@](C)(C#N)CC)c1 289142687 YRZNUEXPVGZFKC-HNNXBMFYSA-N 292.766 3.811 30 20 CHED C[C@@H](Cc1ccc(O)cc1)N[C@@H](CCC#N)c1ccccc1 293660714 PNQWQRLJAUQYDZ-KXBFYZLASA-N 294.398 3.958 30 20 CHED CC(F)(F)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 293841686 XUHXRUJMCWRMLB-DZGCQCFKSA-N 278.346 3.970 30 20 CHED N#C[C@@H]1CC[C@H](N2CCn3c(cc4c(Cl)cccc43)C2)C1 293959479 CICBFJIYJXATPO-OLZOCXBDSA-N 299.805 3.803 30 20 CHED CCc1ccc([C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 294189337 AXVDNHSAMDQHGX-LIRRHRJNSA-N 296.414 3.900 30 20 CHED C=C[C@H](CC(=O)N1CC(CC)(CC)C1)c1ccccc1 294499928 SIQMVQGHSJQZPE-OAHLLOKOSA-N 271.404 3.995 30 20 CHED C[C@@H]1C[C@@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc2O1 295112486 VHEDKFITJXIDOF-ORIJERBGSA-N 270.376 3.571 30 20 CHED Cc1ccc2c(c1)N(C(=O)[C@]1(C#N)CC13CCCC3)CCC2 298838489 WLQUBVFVTXFFBV-LJQANCHMSA-N 294.398 3.748 30 20 CHED CCCN(CC#N)C(=O)CCc1ccc(Cl)c(Cl)c1 299578462 AUAWHROBCBKNHT-UHFFFAOYSA-N 299.201 3.688 30 20 CHED CCOc1ccccc1[C@@H](CC)N[C@@H](C)CCC#N 299727281 VEMKRWMWHDLQKY-DZGCQCFKSA-N 260.381 3.818 30 20 CHED N#Cc1cc(Cl)ccc1NCCCOC1CCCC1 301168486 DGZCTVSCSSVMSD-UHFFFAOYSA-N 278.783 3.973 30 20 CHED COCc1ccc(CNc2c(Cl)cccc2C#N)cc1 301194105 JHBVHORCXPUXNN-UHFFFAOYSA-N 286.762 3.970 30 20 CHED CN(Cc1ccc(C#N)cc1)c1c(Cl)cccc1C#N 301212520 WLVCVGGRESEZQC-UHFFFAOYSA-N 281.746 3.720 30 20 CHED C=C(C)CN(CC)c1nc(C(F)F)nc2ccccc12 301281048 PZGUGRYDNHXRNY-UHFFFAOYSA-N 277.318 3.970 30 20 CHED COc1cccc2c1CC[C@@H]2Nc1ccc(Cl)c(C#N)n1 301635471 KSNODKDYUCTYCR-ZDUSSCGKSA-N 299.761 3.715 30 20 CHED N#Cc1c(Cl)nsc1NCCc1ccc(F)c(F)c1 302773096 NPSZMXWIWIHJEG-UHFFFAOYSA-N 299.733 3.601 30 20 CHED CC/N=C(/NCC)NCc1ccc(Oc2ccccc2)cc1 303374473 NLAXXDDUWRNDBG-UHFFFAOYSA-N 297.402 3.554 30 20 CHED C=C(Br)CN1CCC[C@@H](C(C)C)CC1 303592243 HZIWKWQHYVZGAQ-GFCCVEGCSA-N 260.219 3.653 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 308213323 XSYOGFNTWNAESK-AEGPPILISA-N 268.360 3.632 30 20 CHED C=CC[C@@H](C)NCc1cccc(C)c1Br 308880954 UISDFSYDTOPZOF-LLVKDONJSA-N 268.198 3.812 30 20 CHED C=CCC(C)(C)CNc1cc(OC)c(OC)cc1[N+](=O)[O-] 315200659 LRVIOHQBKRXUHR-UHFFFAOYSA-N 294.351 3.626 30 20 CHED C[C@@]1(/N=C(/O)c2cncc(-c3ccccc3)c2)CCCOC1 329186303 QMFOPVKJLJAUTC-GOSISDBHSA-N 296.370 3.622 30 20 CHED CCc1nc2cc(N=C(O)N3CC[C@@H]4CCC[C@H]43)ccc2o1 330256994 QKIVEVSNWICQBI-SMDDNHRTSA-N 299.374 3.810 30 20 CHED C[C@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1Cl 334729376 APHHWXXGMURVCS-NSHDSACASA-N 291.782 3.812 30 20 CHED N#Cc1cccc(C#N)c1N1CCC(CC(F)(F)F)CC1 334930347 RBTJEVNBWVHSCY-UHFFFAOYSA-N 293.292 3.599 30 20 CHED CN(Cc1cccs1)C(=O)c1ccc(C#N)c(Cl)c1 336097948 PVGJYQVFOOMCBX-UHFFFAOYSA-N 290.775 3.545 30 20 CHED CSc1ccc(N(C)C(=O)c2cccc(C#N)c2)cc1 336389531 ICKRRPIRADMPMW-UHFFFAOYSA-N 282.368 3.557 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cnn(-c2ccccc2)c1CCC 341014496 ZOWLYQPGQYKKGC-CYBMUJFWSA-N 298.390 3.521 30 20 CHED N#Cc1ccnc(N[C@@H]2CCc3c(Cl)cccc32)c1 341760002 XIQZJJQVPVZCEP-CQSZACIVSA-N 269.735 3.706 30 20 CHED C=CCCN(C)C(=O)[C@H](C)CSCc1ccccc1 342045953 ZABAYACKIPQFJV-CQSZACIVSA-N 277.433 3.590 30 20 CHED Cn1ncc(NCc2ccccc2C#N)c1-c1ccccc1 342218391 IKAVYRTVDQXNKT-UHFFFAOYSA-N 288.354 3.571 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(CC2(C#N)CC2)C1 343317084 BULMSKCHAKHHGU-SWLSCSKDSA-N 258.340 3.512 30 20 CHED N#Cc1ccc(CNC[C@H]2CCc3ccccc32)c(F)c1 344359252 YBJNDFJLHQPUJN-OAHLLOKOSA-N 280.346 3.517 30 20 CHED C/C=C/c1ccc(NC(=O)C2(C#N)CCCC2)cc1 345755201 SJLJEFPSWGERGG-GORDUTHDSA-N 254.333 3.742 30 20 CHED C=CCN1CC[C@H](SCc2ccccc2C2CC2)C1=O 347783719 ZTZWSIGCNKWJCC-INIZCTEOSA-N 287.428 3.584 30 20 CHED C=CCCOCCCCC(=O)N1CCCC2(CCC2)C1 347947478 JUKHTBRLFIIUOV-UHFFFAOYSA-N 279.424 3.542 30 20 CHED C=CCn1c(CCCC)nnc1N1CC2(CCC2)C[C@@H]1C 350751608 GKNYFCSQVYMXAT-AWEZNQCLSA-N 288.439 3.576 30 20 CHED CC1(C)C[C@H]1c1noc(/C=C/c2cccc(C#N)c2)n1 355898938 VTATUFCQVVNZBE-YBJDMEARSA-N 265.316 3.625 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCC[C@@H](SCC)C2)CC1 356258614 FLPPLNASGYTQDI-UONOGXRCSA-N 281.465 3.913 30 20 CHED CC(C)(C#N)CNc1ccc(C#N)cc1C(F)(F)F 359069990 QUMBXEXWYBORQI-UHFFFAOYSA-N 267.254 3.539 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C)CC[C@@H]1C 359255595 RCHYCKVUEBXTIT-KGLIPLIRSA-N 288.439 3.747 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2oc(C)c(C)c2c1 360635482 KGKGNOAFMPZDDN-SECBINFHSA-N 258.321 3.746 30 20 CHED CO[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)C(C)C 361702775 SUAINQSORAKQFM-ZDUSSCGKSA-N 286.297 3.660 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1cccc(C2CCC2)c1 361794354 CNKUNFOFFXDBDJ-LBPRGKRZSA-N 271.364 3.720 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[C@@]1(C#N)CC1(C)C 362189042 VAWCAKBANGIWCX-BIENJYKASA-N 296.414 3.784 30 20 CHED COc1cccc([C@H]2C[C@@H](C)CN2c2ccc(C#N)cn2)c1 371692976 OGJZAWVMPDFHOF-CXAGYDPISA-N 293.370 3.549 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCCCCC#N 375851099 KQKHTXZGSMQLOS-OKZBNKHCSA-N 286.419 3.621 30 20 CHED CCCCCCCOC(=O)c1c(F)cc(N)cc1F 381655066 KNNISEDMHNXMDU-UHFFFAOYSA-N 271.307 3.674 30 20 CHED CCC(C#N)(CC)C(=O)N(Cc1ccccc1)C1CC1 384424409 ISUJCANXPWLXKV-UHFFFAOYSA-N 270.376 3.508 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC12CCCCC2 387030078 OGQOQTJWWDUCNQ-AWEZNQCLSA-N 271.320 3.601 30 20 CHED COc1ccc(C#N)cc1COc1ccc(Cl)cc1F 394464093 UPOIJSCVPFQCRA-UHFFFAOYSA-N 291.709 3.938 30 20 CHED N#Cc1cc[nH]c(=Nc2cccc3ccsc23)c1Cl 395363148 MILGPNDBYBUDJZ-UHFFFAOYSA-N 285.759 3.987 30 20 CHED CC1(NC(=O)Nc2ccc(C#N)c(Cl)c2)CCCC1 408064439 UXPFJUCOJIFWQY-UHFFFAOYSA-N 277.755 3.666 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Oc1ccc(SC)cc1 410124192 VXFUTLHMTUPYAJ-CHWSQXEVSA-N 293.432 3.647 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OCC2CC2)cc1 410136515 WAOWJJJMJTVZIE-OAHLLOKOSA-N 273.376 3.560 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 410636501 AITZOAFHGWPVEB-WPGHFRTFSA-N 290.794 3.847 30 20 CHED CCN(Cc1cccc(CN2CCCCC2)c1)C[C@@H](C)C#N 411210251 PLRYHBYVGMUCBV-KRWDZBQOSA-N 299.462 3.654 30 20 CHED C=CCCC1(C(=O)Nc2ccc(CN(C)C)cc2F)CC1 412559277 NBFYKPBRXJRFOO-UHFFFAOYSA-N 290.382 3.572 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](CC)c1ccn(C)n1 414302064 MLRTXSQSGCIRHA-IRXDYDNUSA-N 283.419 3.648 30 20 CHED N#Cc1cccc(CN2CCC[C@@H](Oc3ccccc3)C2)c1 418098970 MPHRLRGBNAKKKH-LJQANCHMSA-N 292.382 3.602 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419610577 ANQIELLWLMSRDU-DYVFJYSZSA-N 299.418 3.622 30 20 CHED C=CCC(C)(C)c1nc(CCc2ccccc2)no1 426401929 BDXLLKOXQLQWGE-UHFFFAOYSA-N 256.349 3.709 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[C@@H](C)C1 428955630 WADPIINAZATBIR-HZSPNIEDSA-N 252.402 3.561 30 20 CHED C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 435155804 QOUOWAWUXQFHKG-LLVKDONJSA-N 289.354 3.788 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1coc2ccccc12 435740660 FTZBHWRYSXIXCY-DYVFJYSZSA-N 271.360 3.504 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(OCCF)c1 439446148 QCLIXCFURYYCIP-LBPRGKRZSA-N 280.343 3.511 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Nc2ccc3ccoc3c2)c1 443491087 PLADHOMCVXENAN-UHFFFAOYSA-N 279.255 3.956 30 20 CHED CC1(C)CCC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C1 443584711 XXMDTLCNYOJODZ-OAHLLOKOSA-N 285.391 3.843 30 20 CHED Cc1cc(COc2cc(C#N)ccc2C)ccc1C#N 447310606 AJVKHZQNJDCHSM-UHFFFAOYSA-N 262.312 3.626 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 447960559 AGDNXNRBYQIJTK-APHBMKBZSA-N 272.392 3.745 30 20 CHED C=CCC1(C(=O)N[C@H](C)C[C@@H]2CCCO2)CCCCC1 448873205 XOZAVGWJCNWDJU-CABCVRRESA-N 279.424 3.587 30 20 CHED CC(C)CCCC(=O)N[C@@H](C#N)c1ccccc1Cl 448983616 OJJMQJNSKUPZNJ-AWEZNQCLSA-N 278.783 3.847 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CCC)C1CCCC1 449302492 VKQDRCWSHFRLBG-ULQDDVLXSA-N 265.441 3.916 30 20 CHED C=CC(C)(C)CNCc1cn(C)nc1-c1ccc(F)cc1 449484155 FQHRNKRMHNQUMA-UHFFFAOYSA-N 287.382 3.528 30 20 CHED N#C[C@@]1(C(=O)NCCCCC2CCCC2)CC12CCCC2 449988239 FMYGZZRMMRSQTE-GOSISDBHSA-N 288.435 3.937 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 450468716 OXRUSYHKGSKFJL-CVEARBPZSA-N 257.377 3.605 30 20 CHED Cc1cc(N2[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]2C)cc(C#N)n1 450568372 NMDMBVYPOVDWLL-TUAOUCFPSA-N 297.324 3.817 30 20 CHED C[C@H](NCC1(C#N)CCC1)C(C)(C)c1ccccc1 450669308 RZZFVMAMKDYONI-AWEZNQCLSA-N 256.393 3.636 30 20 CHED Cc1ccc([C@]2(C)CCN(CC3(C#N)CCC3)C2)cc1 450876609 JMRKHJNARZHSMF-QGZVFWFLSA-N 268.404 3.652 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc(CC)n2)CCCC1(C)C 451220642 XPXQLUFGQJHJAI-INIZCTEOSA-N 286.419 3.851 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 451377478 NUHPHSVZKDSDER-KSSFIOAISA-N 288.435 3.745 30 20 CHED CC(C)(C#N)CCCN1CCC[C@]2(CCSC2)C1 451979264 QAGUCLJOGPSPIY-HNNXBMFYSA-N 266.454 3.535 30 20 CHED C[C@H](C#N)CN(C)C(=O)C(C)(C)Cc1ccc(Cl)cc1 457474858 DOAORAXTTZPOGM-GFCCVEGCSA-N 292.810 3.527 30 20 CHED CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 458134490 PTGQHGTVOSNCMB-QAPCUYQASA-N 284.403 3.652 30 20 CHED C=CCN(CC=C)C(=O)NCC1(CC=C)CCCC1 459055714 VICNLWAURIQEAW-UHFFFAOYSA-N 262.397 3.507 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1(F)F 461023689 LAMJLGQOGFNXRU-RDDDGLTNSA-N 298.358 3.757 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccccc1Cl)C(C)C 464759365 XOHFSJJNVPRPTR-BXUZGUMPSA-N 280.799 3.911 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)C1CCCCCC1 466367377 TWRMIDRODWRROL-ZDUSSCGKSA-N 252.402 3.705 30 20 CHED C=CCC[C@H](CCC)NC[C@@]1(C)CCO[C@H]1C1CC1 468048045 MUFSKLSECYAKIU-YESZJQIVSA-N 265.441 3.916 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(CCC(C)C)CC1 470070486 XZFDPKFQFXWDOB-CQSZACIVSA-N 266.429 3.809 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCc3ccccc32)CCC1 478970227 ZDDZNBORMUNGKB-INIZCTEOSA-N 283.415 3.969 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)CC1(c2ccccc2)CC1 483979492 OBEOYDYMGFOMEX-UHFFFAOYSA-N 294.373 3.861 30 20 CHED C[C@H]1COC(C)(C)CN1c1ccc(C(F)(F)F)cc1C#N 487045332 KPNNQXDCSUZJRF-JTQLQIEISA-N 298.308 3.581 30 20 CHED CCCCC[C@H]1CCCN1c1ccc(C#N)c(C)n1 488110943 FKMDPHBFCSGYGW-HNNXBMFYSA-N 257.381 3.811 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(C)cc1 488812154 DZVFDRXHXJGSOB-DOTOQJQBSA-N 271.404 3.741 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H]1CC1(C)C)c1ccccc1 489396411 VYBSNLXWKUBQBU-UKRRQHHQSA-N 257.377 3.603 30 20 CHED C=CC[C@H](C(=O)N(C)[C@@H](C)C1CCC1)c1ccccc1 489627621 XJFDDXCPKNTMDU-YOEHRIQHSA-N 271.404 3.993 30 20 CHED Cc1ccncc1/C=C/C(=O)Nc1ccc(C#N)cc1Cl 492468072 ZAVUWVCPBDUERH-HWKANZROSA-N 297.745 3.567 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](CCC#N)c1ccccc1 495261206 VORGPZBTCDPVES-IAGOWNOFSA-N 297.402 3.782 30 20 CHED CC(C)(C)OC(=O)N1CCC(CCSCCC#N)CC1 495985230 WPMOIBHMUAKULP-UHFFFAOYSA-N 298.452 3.670 30 20 CHED CN(CC(C)(C)C#N)C(=O)Cc1c(Cl)cccc1Cl 497449360 YQGCFJYLKXEGHU-UHFFFAOYSA-N 299.201 3.544 30 20 CHED C=CCOc1ccccc1C(=O)NC[C@H](C)c1ccccc1 497619538 UFRAMGYXMNINIH-HNNXBMFYSA-N 295.382 3.785 30 20 CHED CCN(CCCC1(C#N)CCOCC1)[C@@H]1CCCC[C@H]1C 499699570 ZDQNPEZJTRPDSQ-IAGOWNOFSA-N 292.467 3.988 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1CC(C)C 501185815 WCKUPSOHXPAQAI-HNNXBMFYSA-N 285.391 3.909 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2/C=C/c2ccccc2)n1 503290372 ZOQNVXMHMURYLT-FMQWLBJXSA-N 275.355 3.635 30 20 CHED N#CCCCCNC(=O)c1cc2c(ccc3ccccc32)[nH]1 505518184 AEBJXOOPOMUXOZ-UHFFFAOYSA-N 291.354 3.745 30 20 CHED CCC(CC)[C@@H](CNc1ccc(C#N)cc1)N1CCCC1 507143455 GRLKIQAKPZHUNO-GOSISDBHSA-N 285.435 3.871 30 20 CHED C=CCN(Cc1cccs1)C(=O)N(C)CC(C)(C)C 509421368 ZDVSTCWXKVJGOY-UHFFFAOYSA-N 280.437 3.834 30 20 CHED CCCCCOc1ccc(CN(C)C[C@H](C)C#N)cc1 509801368 BNKIWZVFSHGMCU-OAHLLOKOSA-N 274.408 3.847 30 20 CHED C=C(CNC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 512677858 NHXQCJHHRSHZEM-QGZVFWFLSA-N 284.403 3.674 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 515126000 TYSAOXVIJAJOIP-QLFBSQMISA-N 297.402 3.755 30 20 CHED CC1=C(C)C[C@@H](C(=O)NCC(C)(C)CCC#N)CC1 515483660 ADXKLILPXIUEBK-AWEZNQCLSA-N 262.397 3.569 30 20 CHED C[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 520489940 KSPKUDUWVQSJSH-LBPRGKRZSA-N 297.333 3.623 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1Cl 521827015 WOUTZUZYYVLOOQ-NRUUGDAUSA-N 274.751 3.586 30 20 CHED C[C@H]1CCCN(C(C)(C)CNc2cccc(F)c2C#N)C1 524265978 LTIZEFHERXSPDP-ZDUSSCGKSA-N 289.398 3.620 30 20 CHED C[C@H]1CCCC[C@@H]1OCCN(CCC#N)CC(C)(C)C 525328108 YHDBJYNCEKACJY-HOTGVXAUSA-N 280.456 3.843 30 20 CHED CC(C)(C#N)CCN1CCC[C@]2(CCc3ccccc3O2)C1 528728095 ITQKITFAZUFCAO-IBGZPJMESA-N 298.430 3.786 30 20 CHED Cc1ccccc1[C@@H](CO)Nc1ccc(C#N)c(Cl)c1 531095574 MIJUTLUSNVHZCC-MRXNPFEDSA-N 286.762 3.666 30 20 CHED CC(C)OC1CCN(c2ccc(Cl)cc2C#N)CC1 531154058 XRAHXHCGTUOFNY-UHFFFAOYSA-N 278.783 3.605 30 20 CHED C=C1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 533462107 KFRPHVAWAGJMQK-UHFFFAOYSA-N 295.304 3.589 30 20 CHED N#Cc1cccc(Cl)c1N1CC=C(C(F)(F)F)CC1 534495103 UHJWTIWTYLMDDS-UHFFFAOYSA-N 286.684 3.910 30 20 CHED C=C[C@@H](CC(=O)N1C[C@@H](C)CC1(C)C)c1ccccc1 534654712 KXWNHTXDQVVQNA-GJZGRUSLSA-N 271.404 3.993 30 20 CHED CCC(CC)CN(CCC#N)c1cnc2ccccc2n1 535088527 NNDXLSBQCZOLSM-UHFFFAOYSA-N 282.391 3.786 30 20 CHED N#Cc1cccc(-c2cc(C(F)(F)F)c(Cl)nn2)c1 536959994 NHOJOIZIBYCOEU-UHFFFAOYSA-N 283.640 3.687 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1coc(-c2ccccc2)n1 537237153 LHPQFZGCMAJMIG-AWEZNQCLSA-N 298.386 3.745 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc2c1CCC2 538332705 KPGBPBYVFGYGAM-CYBMUJFWSA-N 257.377 3.650 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H](C)C1 538462516 NGRKORCISXZUEZ-MAUKXSAKSA-N 298.430 3.979 30 20 CHED C=C(CC)COc1c(Br)cccc1OC 540193807 HIRAQDHKQCBHLP-UHFFFAOYSA-N 271.154 3.803 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)CCC1CCCCC1 540397099 IFTZRRXGSLDMKR-GDBMZVCRSA-N 253.430 3.510 30 20 CHED C=CCOCCCC(=O)NC1CC(C)(C)CC(C)(C)C1 540778836 NWGIKRWUPPSDIE-UHFFFAOYSA-N 281.440 3.690 30 20 CHED C=CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 543052856 VKWNUGOQUWGIDB-INIZCTEOSA-N 272.779 3.794 30 20 CHED CC[C@@H]1CC[C@H](C)N1c1ncc(Cl)c(C)c1C#N 543137101 NKWXRBUIKYPWBH-GXSJLCMTSA-N 263.772 3.682 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@H](C)C(C)(C)C1 545430155 XLEFKUNHHVULAX-HNNXBMFYSA-N 281.440 3.644 30 20 CHED CCC1(CNC(=O)c2ccc(CC#N)cc2)CCCCC1 546525614 VZLJHSZTCZQKAK-UHFFFAOYSA-N 284.403 3.843 30 20 CHED C=C(CC)CSCC1CCN(C(=O)C(C)(C)C)CC1 546540805 IORDSJOMWLQBNZ-UHFFFAOYSA-N 283.481 3.971 30 20 CHED N#Cc1cc(N2CCC[C@H]2/C=C/c2ccccc2)ccn1 553518285 AUPVMMBFSOCWIR-IJDCCNJMSA-N 275.355 3.635 30 20 CHED C=CCOc1ccc(CNC(=O)N(CCC)CCC)cc1 553902896 ZREVKMMOOCVTGD-UHFFFAOYSA-N 290.407 3.583 30 20 CHED CC(C)(C#N)CCN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 558116448 ISQIKJLFYDFYGK-LSDHHAIUSA-N 292.810 3.699 30 20 CHED CCn1c(CN2CCCC(C)(C)[C@H]2C#N)nc2ccccc21 559959137 MNVUBCGTMCKZRQ-MRXNPFEDSA-N 296.418 3.570 30 20 CHED CC(C)c1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1 561018012 QGTCDRPLHXKEHJ-DOTOQJQBSA-N 256.393 3.934 30 20 CHED N#Cc1cc(N2CCC(OCC3CCCCC3)CC2)ccn1 561202175 RJSLRPKSFFKXMF-UHFFFAOYSA-N 299.418 3.519 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cc(OC)ccc2OC)no1 564206711 RHBVYLCUGYMPGJ-MRXNPFEDSA-N 288.347 3.608 30 20 CHED CCCC1(C(=O)N[C@H](C#N)c2ccc(CC)cc2)CCC1 564684893 LOLORHPRLFOCNN-MRXNPFEDSA-N 284.403 3.900 30 20 CHED Cc1sc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c(C#N)c1C 565877319 YHNOCBDQZYGXGF-SRVKXCTJSA-N 274.389 3.611 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)NCc1cccc(C#N)c1 566255530 BOPCEWNIQINUGG-HNNXBMFYSA-N 284.403 3.947 30 20 CHED C=CCCCC[C@H](C)NC1CCC(N(C)C)CC1 566388869 UFJPYFFVKOUXTE-FHERZECASA-N 252.446 3.584 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N[C@@]1(C#N)CC1(C)C 567614809 FIUHNINIZQQDHN-XJKSGUPXSA-N 262.397 3.567 30 20 CHED CCCCOc1ccccc1NC[C@@H](C#N)CCC#N 567701568 FSFMYLVLYMUIJU-CQSZACIVSA-N 271.364 3.721 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nccc(Br)c1C 568504217 OGUWBMAOENGWFI-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C[C@H](NC(=O)c1cscc1C#N)[C@H](C)C1CCCCC1 569832308 BGNLAAYSHWADHZ-RYUDHWBXSA-N 290.432 3.954 30 20 CHED C=CCCc1noc(C2CC(c3cccc(F)c3)C2)n1 573775118 XIJQVOJCMRMQGS-UHFFFAOYSA-N 272.323 3.989 30 20 CHED N#CCCC1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 576108679 XJNKKIWXWPDNIU-MSOLQXFVSA-N 268.404 3.806 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc2cc(C)ccc2s1 578692632 ULJOIVSSSNKPBC-GFCCVEGCSA-N 272.373 3.632 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1ccc(C#N)c(F)c1 579424247 NMEFZMMQPRNAAG-LBPRGKRZSA-N 298.336 3.956 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CS[C@@H](C(C)(C)C)C1 580918690 DKGKJWQILVIORM-QWHCGFSZSA-N 268.470 3.826 30 20 CHED N#Cc1cc(NC(=O)C2CC3(CCC3)C2)ccc1Cl 581667813 PVZYZUMEPMBUIA-UHFFFAOYSA-N 274.751 3.730 30 20 CHED C[C@@H](N=c1cc[nH]c(C#N)c1)c1cccc(C(F)(F)F)c1 585702378 MDMRDSSHXXMTAR-SNVBAGLBSA-N 291.276 3.567 30 20 CHED Cc1c(C(=O)/C=C\c2ccc3ccccc3c2)cnn1C 588397128 OLBQTXURGLDNHT-NTMALXAHSA-N 276.339 3.778 30 20 CHED CCO[C@H](C/N=C\c1cc(OC)ccc1O)c1ccccc1 588597079 ILKLAXKHQKCJBR-GEBKJHSDSA-N 299.370 3.598 30 20 CHED C[C@H]1CN([C@H](C)CCC#N)CCc2ccc(Cl)cc21 593067076 RTKMVGIVSLJWAB-QWHCGFSZSA-N 276.811 3.994 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 593735495 XQOMTMQARPHCNM-LKFCYVNXSA-N 294.757 3.596 30 20 CHED CC(C)=CCCN1CCC(Oc2cccc(C#N)c2)CC1 595302818 KUROBUKSZOKZOG-UHFFFAOYSA-N 284.403 3.758 30 20 CHED CCc1nc([C@H](C)N[C@H](C#N)c2ccccc2)cs1 595429500 OVUWSAGKAAQBJN-WCQYABFASA-N 271.389 3.621 30 20 CHED CCN(Cc1cc(Cl)ccc1OCC1CC1)[C@@H](C)C#N 595820586 MXBHRHVVDRQCKS-LBPRGKRZSA-N 292.810 3.863 30 20 CHED N#CC1(CSCCc2nsc3ccccc23)CC1 596378541 DOUAZXMDWMQZIX-UHFFFAOYSA-N 274.414 3.876 30 20 CHED CN(CC1CCCCC1)C(=O)CC1(C#N)CCCCC1 596730151 SWRGTEMCJQCPNL-UHFFFAOYSA-N 276.424 3.889 30 20 CHED Cc1cc(F)cc(C)c1C(=O)NCC1CCC(C#N)CC1 597617425 QTBPMJAHCVBXQU-UHFFFAOYSA-N 288.366 3.502 30 20 CHED CCc1ccc2occ(C(=O)N(C3CC3)[C@@H](C)C#N)c2c1 598135080 NZWGOGZWBFKFSB-NSHDSACASA-N 282.343 3.512 30 20 CHED CCN(C(=O)CCc1ccc(CC(C)C)cc1)[C@H](C)C#N 598358532 PLMWLHMUEPYXKF-OAHLLOKOSA-N 286.419 3.578 30 20 CHED C[C@@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccco1 599507785 HITBPJBTEKQFDS-GUYCJALGSA-N 288.391 3.752 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCc1coc2ccccc12 602556813 NCQGZMDSRFQMFF-AWEZNQCLSA-N 298.386 3.621 30 20 CHED COC[C@@H](c1ccc(Cl)cc1)N(C)CC1(CC#N)CC1 602823058 VTJGFXWVSAYSSH-HNNXBMFYSA-N 292.810 3.653 30 20 CHED C=CCCCNc1ccccc1C(=O)NCc1ccccc1 607149457 HDQHAPOJHRBTPS-UHFFFAOYSA-N 294.398 3.995 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@H](C)C1CCCCC1 608822901 AZUCZXDWMVJUQZ-DZGCQCFKSA-N 264.413 3.647 30 20 CHED CC(C)N(Cc1ccccn1)Cc1ccc(F)cc1C#N 609133212 JKOYGMNHWYAYKB-UHFFFAOYSA-N 283.350 3.503 30 20 CHED CCCC[C@H](CC)CC(=O)N[C@@H](C#N)CC(C)C 609762157 CSMLFFFTHQNEMS-UONOGXRCSA-N 252.402 3.647 30 20 CHED C[C@@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccncc1 611142013 KXWPMAJJMFCWRV-KBXCAEBGSA-N 299.418 3.554 30 20 CHED C[C@@H]1CN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC(C)(C)C1 612134148 LLGNRMGTCZANPC-UONOGXRCSA-N 299.418 3.697 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cncc3ccccc23)C1 613255941 YBRMTPVZIDIVMT-JSGCOSHPSA-N 251.333 3.729 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2CC3CCC2CC3)C1 617778326 DGRJQJLQWBLZJN-GRAKBVBRSA-N 261.409 3.627 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])cc1 618693655 LPLGZCGLCGECOF-MRXNPFEDSA-N 279.299 3.566 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618732680 CSEJSTGHIPWBMF-CXAGYDPISA-N 284.403 3.734 30 20 CHED C=CCN(C(=O)CCc1ccc2[nH]ccc2c1)C(C)(C)C 622944871 IKYZUWFMVKGQJN-UHFFFAOYSA-N 284.403 3.914 30 20 CHED C=CCN(C(=O)[C@H]1CCCC(F)(F)C1)C(C)(C)C 622944935 LFYQMQAMCPAZBS-NSHDSACASA-N 259.340 3.625 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](CCc1ccccc1)C(F)F 628761620 IWEJPGRSIHTUAI-PBHICJAKSA-N 295.373 3.971 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc2c(c1)nnn2C 647331604 FHJYTDDCYAMOMK-GFCCVEGCSA-N 258.369 3.515 30 20 CHED C=CCC1(NC[C@@H]2CCCC[C@@H]2C)CCOCC1 657633071 FQMYWQCNPISDHG-GJZGRUSLSA-N 251.414 3.528 30 20 CHED C=CCCNC(=O)N[C@@H](C)c1oc2ccccc2c1C 660431008 CBEKUPYHAJDDJS-LBPRGKRZSA-N 272.348 3.678 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(Cl)c(Cl)c1 661802682 JUOZKMMSSUILFV-UHFFFAOYSA-N 287.190 3.711 30 20 CHED C[C@@H](CCC#N)CN1CCC(C(=O)c2ccccc2)CC1 671126108 BJGZBXKVUCEPMV-HNNXBMFYSA-N 284.403 3.521 30 20 CHED CC#CCNC(=O)c1sc2cccc(C)c2c1Cl 677813816 UDUWBOHDXNLPQQ-UHFFFAOYSA-N 277.776 3.616 30 20 CHED C=CC[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)O)c(C)n1 692273303 RPHLOCPIGOUAFD-JSGCOSHPSA-N 274.364 3.635 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC1CCC(F)(F)CC1 695789301 DOQSDJVZDDALTE-NSHDSACASA-N 258.356 3.730 30 20 CHED N#CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1 701288965 OHGNQLUTJXTNFU-MALLOTDXSA-N 294.807 3.567 30 20 CHED N#Cc1ccc([C@@H](O)C2CCCC2)cc1C(F)(F)F 725326635 IYXYQMDYJYAXNT-ZDUSSCGKSA-N 269.266 3.801 30 20 CHED CCCC[C@@H]1CCCC1=NNc1cc(C)nc(C)n1 727255969 UHPATRRMMKVRET-CYBMUJFWSA-N 260.385 3.852 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2ccc(O)c([N+](=O)[O-])c2)c1 730437105 PFFIIDCGZSESQD-HYXAFXHYSA-N 297.310 3.813 30 20 CHED C=CC[C@@H](NC(=O)/C=C\c1cccc(F)c1)c1ccncc1 734233979 DHSRENQDWSBFKY-ZPUOCTKUSA-N 296.345 3.668 30 20 CHED CCO[C@@H]1CC(=NNc2nc3ccccc3s2)C1(C)C 736429352 VBAIBNIOSPTIAN-CYBMUJFWSA-N 289.404 3.899 30 20 CHED Cc1cccc(C)c1COC(=O)C1(C#N)CCCCC1 738628040 COGDOJGEFJVALF-UHFFFAOYSA-N 271.360 3.821 30 20 CHED CCCCCCCCN1CCC2(CC1)[C@H](O)C[C@H]2OCC 741257771 XRMQRWWHLPFOPC-IAGOWNOFSA-N 297.483 3.599 30 20 CHED Clc1cc(Cl)cc(OCCON=C2CCC2)c1 742358113 ABKBVNZWTQJMHJ-UHFFFAOYSA-N 274.147 3.929 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)C[C@@H](C)CC)c1 743083925 GFRXUXFXBNDYGA-STQMWFEESA-N 258.365 3.614 30 20 CHED CC(C)(C)c1ncc(C=NNc2ccc(Cl)nc2)s1 743450449 QFFJSZFNAOQAAS-UHFFFAOYSA-N 294.811 3.935 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(NC(C)=O)cc1 743450594 NPFRJWKMGISORI-AWEZNQCLSA-N 289.423 3.927 30 20 CHED CCOc1ccc(/C=C2\Cc3ccc(OC)cc3C2=O)cc1 747439476 BEQYUGWTTADDNC-XNTDXEJSSA-N 294.350 3.916 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1C)C2 747439535 CWYRGALTBJVSPH-ZSOIEALJSA-N 282.314 3.965 30 20 CHED CC(C)CCCCCC(=O)NC1(C#N)CCCCC1 747909370 VDGIQWKPVIOTCU-UHFFFAOYSA-N 264.413 3.936 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)OCC(=O)c2cccc(C#N)c2)C1 748271900 XJOSBURNAMLNGG-ZIAGYGMSSA-N 299.370 3.501 30 20 CHED CCC[C@@H](C)CC(=O)O[C@H](C)c1ccc(C#N)cc1 748677529 PWXZNIRBUZCURV-CHWSQXEVSA-N 259.349 3.989 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)nc1)C2 749006128 RMZPWXAOZLMZEM-QPEQYQDCSA-N 269.731 3.866 30 20 CHED COc1cccc(O)c1C=Nc1ccc2c(c1)C(=O)CCC2 749930402 KJCREZNMSZLXIE-UHFFFAOYSA-N 295.338 3.670 30 20 CHED CCN(CC#Cc1ccc(Cl)cc1)CCc1ccccn1 750037795 BXZGPWOYMFNMCH-UHFFFAOYSA-N 298.817 3.651 30 20 CHED COc1ccc([C@@H](C)OC(=O)c2ccc(C#N)s2)cc1 750693964 KMELORANBDOXTI-SNVBAGLBSA-N 287.340 3.546 30 20 CHED C[C@H]1CC/C(=C\C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 753640363 NVZBANVIDYMQRK-OQZOHAQUSA-N 285.391 3.800 30 20 CHED COc1cccc2c1CCC(=NOCc1ccccc1)C2 754922676 GUCJWJZWARQWMI-UHFFFAOYSA-N 281.355 3.757 30 20 CHED Cc1ccc(NC(=S)NN=CC(C)(C)CCC#N)cc1 755497820 SFWMGQOVOMKTHE-UHFFFAOYSA-N 288.420 3.597 30 20 CHED C(CCc1ccccc1)=NN=c1cc[nH]c2ccccc12 755699725 JBWVSZBZWQNSAY-UHFFFAOYSA-N 275.355 3.687 30 20 CHED C1CC[C@H](ON=C2CC[C@@H]3CCCC[C@H]3C2)OC1 755819718 VBESFIPJGZQMAR-YDHLFZDLSA-N 251.370 3.876 30 20 CHED C#CCCCCNC(=O)CCc1ccc(C(C)(C)C)cc1 758631142 RTKGSCXEMGHHMC-UHFFFAOYSA-N 285.431 3.836 30 20 CHED CN(C)CC1(C/N=C\c2cc(Cl)ccc2O)CCCC1 758816361 QLTLHVQYDAFCJS-ZDLGFXPLSA-N 294.826 3.587 30 20 CHED N#Cc1ccc(F)cc1COC(=O)CCC1CCCC1 759348861 FFCDTPJEKXSCLA-UHFFFAOYSA-N 275.323 3.711 30 20 CHED Clc1ccc2c(c1)C(=NO[C@H]1CCCCO1)CC2 762453235 TWDNKZOOBRDDAJ-AWEZNQCLSA-N 265.740 3.534 30 20 CHED C[C@H](C#N)Oc1ccccc1NC[C@@H]1C[C@H]2CC[C@H]1C2 762556170 LXPZHVBKOQRNMW-QPSCCSFWSA-N 270.376 3.826 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1cc(C#N)cs1)C2=O 763116858 QDWLFBGNEOCVMM-MDWZMJQESA-N 295.363 3.977 30 20 CHED Cc1ccc(F)c(C(=O)Oc2ccc(C#N)c(C)c2)c1 765112273 BTIITLWJYNRLAQ-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C#CCCCN1CCC[C@@H]1c1ccccc1Br 766907191 WRUPFCXKLFKBRO-OAHLLOKOSA-N 292.220 3.999 30 20 CHED CC#CCCCC(=O)Oc1c(C)cccc1Cl 767090828 FXYYCOBMDZJIGZ-UHFFFAOYSA-N 250.725 3.747 30 20 CHED Cc1ccc(OC(F)F)c(C(=O)/C=C\c2cncs2)c1 767718952 ZESZJVNDBJKKQX-ARJAWSKDSA-N 295.310 3.949 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2ccc(F)cc2C)cc1 767727710 BQYHYZGMHTWQNM-NTMALXAHSA-N 298.313 3.817 30 20 CHED Cc1ccc(C=NO[C@H]2CCCCO2)cc1Br 767900701 LCSVFHQDQHNSNY-ZDUSSCGKSA-N 298.180 3.635 30 20 CHED CCCCC[C@H](C(=O)N[C@H](C#N)CC(C)C)C(C)C 768145156 XUBNLGODHGGDHF-GJZGRUSLSA-N 266.429 3.893 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H]1CC12CCCC2 768747198 OSMXAMJJWJIQDI-CYBMUJFWSA-N 263.381 3.830 30 20 CHED Cc1cc(Cl)ccc1COC(=O)c1ccc(C#N)s1 769116069 RLDNYHFKDDTSTK-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C#CCCCN[C@H]1CCCc2ccc(Br)cc21 771387404 DBBAPHVMWPVKCD-HNNXBMFYSA-N 292.220 3.830 30 20 CHED O=C1/C(=C\c2cscc2Cl)Cc2c(O)cccc21 771847087 CXBAZWSKKXDKPR-YWEYNIOJSA-N 276.744 3.930 30 20 CHED C=CCCC(=O)O[C@H](CC)c1cc(C)ccc1OC 772499429 IVPHEDDLZRXBAK-CQSZACIVSA-N 262.349 3.964 30 20 CHED N#Cc1ccc(C=NNc2cc(F)c(F)c(F)c2)c(F)c1 772845170 ONSROKLQPVDAET-UHFFFAOYSA-N 293.223 3.561 30 20 CHED C#CC[C@@H](N[C@H](C)c1cncc(F)c1)c1ccccc1 773104588 FDISYWRYOCDHEU-CXAGYDPISA-N 268.335 3.636 30 20 CHED CCCCCOc1ccc(C=NOC2CCOCC2)cc1 774476601 ULQOLFOJHUWOGX-UHFFFAOYSA-N 291.391 3.785 30 20 CHED C[C@@H](CNc1ccc(F)cc1OCC#N)c1ccccc1 775055904 GJKUNGOZFRJCFY-ZDUSSCGKSA-N 284.334 3.944 30 20 CHED CO[C@@H]1[C@H](C)[C@@H](/N=C/c2cc(Cl)ccc2O)C1(C)C 775629423 HOTUNEGUBUWLHI-AFMAPUANSA-N 281.783 3.524 30 20 CHED C#CCCCCCC(=O)N1CCc2c(C)cc(C)cc2C1 777021918 HYFRJRBLKNELRK-UHFFFAOYSA-N 283.415 3.772 30 20 CHED CC(C)C1(C)CCN(C(=O)/C=C/c2ccccc2C#N)CC1 779223339 CDUHOGGGQBVFRI-CMDGGOBGSA-N 296.414 3.856 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)[C@@H]1CC=CCC1 780038250 DMPKLCDRPHCGEI-LLVKDONJSA-N 275.735 3.611 30 20 CHED C[C@@H]1C(=NNc2nc(O)c3ccccc3n2)CCC[C@H]1C 781125956 XMWATYKDOMRAKP-MNOVXSKESA-N 284.363 3.559 30 20 CHED CCCCCCCN1C(=O)C[C@@]2(CCc3ccccc32)C1=O 781154184 JNNOQOSZEBUVCB-LJQANCHMSA-N 299.414 3.600 30 20 CHED FC(F)(F)[C@H]1CCCC(=NNc2nccnc2Cl)C1 783515859 AFOBFCFJHRLYHD-ZETCQYMHSA-N 292.692 3.650 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2ccc([N+](=O)[O-])cn2)C1 783826943 IYUHEUFIWDEKEJ-NWDGAFQWSA-N 276.340 3.604 30 20 CHED C#CCCN(Cc1cccc(Br)c1)CC1CC1 789451526 XOGCQPCWIKXQAX-UHFFFAOYSA-N 292.220 3.684 30 20 CHED CC[C@@H](C)NN=Cc1cn(C)nc1-c1cc2ccccc2o1 790182098 ISHFOMMKTDLOBY-GFCCVEGCSA-N 296.374 3.555 30 20 CHED Clc1cccc(CNN=C2CCCOCC2)c1Cl 790183801 OHCWJEMVKNHDGK-UHFFFAOYSA-N 287.190 3.640 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 791068112 OOTDUQOWLBFWMC-XNVVNFSMSA-N 296.414 3.676 30 20 CHED C#CCCCCCC(=O)N1CCC=C(c2ccccc2)C1 791339413 NRFQUOKYZFLQKS-UHFFFAOYSA-N 281.399 3.886 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)c1nc(C)no1 792178345 ZLMGSWNKALUIED-NWDGAFQWSA-N 253.390 3.778 30 20 CHED CCCCCCCCCN1CCOC[C@@H]1c1noc(C)n1 792282193 OXFJIFSDRFWNPB-OAHLLOKOSA-N 295.427 3.502 30 20 CHED C[C@H](NN=Cc1cn(C)c2ccc(F)cc12)C(C)(C)C 793113732 CAOSVBVDBMDOAA-NSHDSACASA-N 275.371 3.676 30 20 CHED C[C@@H](NN=C1CCC2(CCOCC2)CC1)C(C)(C)C 793114294 KLYHSDWEOGGAMG-CYBMUJFWSA-N 266.429 3.737 30 20 CHED Fc1cccnc1NN=C1CCC[C@H]1c1ccccc1 794990919 SCSRWBRNMWYPFE-ZDUSSCGKSA-N 269.323 3.956 30 20 CHED Cc1cc(C)c(C=NNc2ncccc2F)cc1C 794991076 VBFXGFUXYHMDPI-UHFFFAOYSA-N 257.312 3.592 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc(F)c(Cl)c1 796142946 UOIWIFOCLZGWKA-MRVPVSSYSA-N 293.681 3.862 30 20 CHED Cc1ccc(COC(=O)C[C@H](CC#N)c2ccccc2)cn1 796777515 OMIPEEURSVBQDW-KRWDZBQOSA-N 294.354 3.521 30 20 CHED N#CC1(CNC(=O)c2sc3ccccc3c2Cl)CC1 797779453 GYAWTPPRANAXPL-UHFFFAOYSA-N 290.775 3.588 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1ccc(SC)cc1 798546377 VVZCEJYTNNRTBJ-JSGCOSHPSA-N 290.432 3.571 30 20 CHED C=CCN(C(=O)c1ccc(Cl)c2ncccc12)C(C)C 800839426 GLOQVZJCAAXNDK-UHFFFAOYSA-N 288.778 3.925 30 20 CHED C=CC[C@@H](OC(=O)/C=C/c1ccc[nH]1)c1ccccc1 802187000 XRIVBISLCWEJPG-LPQFERQCSA-N 267.328 3.889 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc(C)sc1C 804836571 QGSZBJYZCONPPI-UHFFFAOYSA-N 283.396 3.641 30 20 CHED N#CCCCCCC(=O)OCC#Cc1cccc(Cl)c1 805696653 IANFNKOGERKAFG-UHFFFAOYSA-N 289.762 3.709 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cc(C#N)cs2)co1 806558117 SAPDCHLBSMTCOH-ARJAWSKDSA-N 272.329 3.627 30 20 CHED C=CCCCCCCNC(=O)N1CCn2cccc2[C@H]1C 807570143 OQZINAIHNRUBPI-OAHLLOKOSA-N 289.423 3.711 30 20 CHED c1ccc(C(CC2CCC2)=NN[C@@H]2CCSC2)cc1 808001707 OQTHNXCAJKJNLK-OAHLLOKOSA-N 274.433 3.676 30 20 CHED CCCCCCCCN[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 808782885 FLNBEJQJAMTHTI-RCCFBDPRSA-N 294.483 3.584 30 20 CHED COc1cccc(/C=C2\Cc3c(ccc(OC)c3F)C2=O)c1 809156145 JRPSPIXUOSJSMV-XYOKQWHBSA-N 298.313 3.665 30 20 CHED CON(CCC(C)(C)C#N)C[C@H]1CCC[C@H](C)C1 810140485 VNVQFWZVXDLUCC-KBPBESRZSA-N 252.402 3.616 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCCS1 810767879 ZNFZTJXPEFZYQB-ZDUSSCGKSA-N 255.427 3.525 30 20 CHED C=CCCCCCOC(=O)[C@@H]1CCCCCC(=O)C1 811382055 VNSDPKDXJMWZEE-CQSZACIVSA-N 266.381 3.816 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC(C(F)F)CC1 811665262 MWEVJLBRNYSOJK-UEWDXFNNSA-N 296.361 3.855 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1ccc(Cl)cc1 811947942 SXMCHWIYEOEQKA-SMDDNHRTSA-N 277.795 3.813 30 20 CHED CC(CCc1ccccc1)=NNc1ccccc1C(=O)O 812443033 LTIWVONFFDVLFT-UHFFFAOYSA-N 282.343 3.805 30 20 CHED Fc1ccccc1NN=Cc1ccccc1OC(F)F 812458531 FNLQTDHTBZRFEA-UHFFFAOYSA-N 280.249 3.873 30 20 CHED CN(Cc1ccccc1)C1CCC(=NOCC2CC2)CC1 814242287 XDADQZNZJRQKDM-UHFFFAOYSA-N 286.419 3.844 30 20 CHED C=C(CC)COC(=O)Cc1c[nH]c2cccc(Cl)c12 814526274 KEUGMWNDGRAHTN-UHFFFAOYSA-N 277.751 3.873 30 20 CHED Clc1cnc(NN=C2COc3ccccc32)c(Cl)c1 814740366 MKWAGBMINAEVFA-UHFFFAOYSA-N 294.141 3.597 30 20 CHED Cc1cc(C)c(C(=O)O)cc1C=NNc1ccccc1F 814789599 KKHDXIXMCVBGMT-UHFFFAOYSA-N 286.306 3.587 30 20 CHED CCC(=NNc1ccc(C)cn1)c1ccc(Cl)c(N)c1 814831945 YGEJLHXLPYASPY-UHFFFAOYSA-N 288.782 3.852 30 20 CHED CC(=NNc1cccc(F)c1F)c1cc(F)c(N)c(F)c1 814859515 RCYJLJRGXUQMLF-UHFFFAOYSA-N 297.255 3.661 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccc(OC)cc2C)cc1 815292813 QOMYBAVLSOSUNT-UHFFFAOYSA-N 293.366 3.556 30 20 CHED Cc1cc(C)c(C=NN[C@H](C)c2ccncc2)cc1C 819814965 JRPWOCFIEPUYRB-OAHLLOKOSA-N 267.376 3.692 30 20 CHED CCC(=NN[C@H](C)c1ccncc1)c1ccsc1 819817571 BCIFESPHLVNFCU-LLVKDONJSA-N 259.378 3.608 30 20 CHED CC(C(=O)N(CCC#N)c1ccc(F)cc1)=C1CCC1 825777337 VAZLBIXZHCJHPU-UHFFFAOYSA-N 272.323 3.573 30 20 CHED C=CCC1(C(=O)NCc2ccnc3ccccc23)CCCC1 826653036 UFTLACMFBVPEBI-UHFFFAOYSA-N 294.398 3.988 30 20 CHED N#Cc1cccc(SCc2ccc(C(=O)O)s2)c1 833075327 QLFVIOSCYJQNTO-UHFFFAOYSA-N 275.354 3.610 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1CCC=C)C(C)C 836598973 DPNBDBXCGUDLOA-HNNXBMFYSA-N 270.376 3.585 30 20 CHED C[C@H](OC(=O)C#CC(C)(C)C)c1ncc(-c2ccccc2)o1 838371910 BFMKQODGROIRKP-ZDUSSCGKSA-N 297.354 3.995 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@H](SC)C1 838594786 JWADONLJUBRUPQ-AWEZNQCLSA-N 284.469 3.660 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccccc1C(C)C 839219310 YEVHTDCFAUJNME-UHFFFAOYSA-N 254.276 3.927 30 20 CHED Cc1ccc(COC(=O)[C@]2(C#N)CC23CCCC3)c(C)c1 839324864 DHQDEIRPKADNFH-GOSISDBHSA-N 283.371 3.821 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)COC1CCCC1 839435302 KNSAMPYSAAKEOF-UHFFFAOYSA-N 294.354 3.609 30 20 CHED CC(=NNc1ccc(Cl)nn1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842519541 NYEPPTAOVYNPQJ-SRVKXCTJSA-N 276.771 3.520 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc2nc(C)sc2c1 842855195 LMOONIHRSDQDBB-OAHLLOKOSA-N 288.372 3.588 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC12CCCC2)c1nc(C2CC2)cs1 842941703 SWUIMYDRNOYNJH-NEPJUHHUSA-N 286.400 3.777 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1CCCNCC1 846669370 ROLBAPNDKSSCDP-MRXNPFEDSA-N 282.472 3.585 30 20 CHED C/C(=C\c1ccco1)C(=O)O[C@H](C#N)C1CCCCC1 847692589 QQEAPVWDOMSFEO-HBIYDYFMSA-N 273.332 3.699 30 20 CHED C=CCC[C@@H](C)NC[C@@H](O)c1cccc2ccccc12 850517428 TYGSXPLLEQTFPP-RDTXWAMCSA-N 269.388 3.818 30 20 CHED C#CCOc1ccc([C@H](C)NCCCc2ccco2)cc1 850569582 JTUMYXJPIGWDHX-HNNXBMFYSA-N 283.371 3.575 30 20 CHED C#C[C@@H](OC(=O)C1CC2(CC2)C1)c1ccc(Cl)cc1F 851010250 LEDCGDGGTJAKCH-CQSZACIVSA-N 292.737 3.887 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1cccc(Cl)c1F 851204242 NCLYDTCUHSCRNT-SNVBAGLBSA-N 297.757 3.893 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C/c2ccsc2)C1 855441303 ZKGZZYJPEFFTMZ-YBJDMEARSA-N 261.390 3.576 30 20 CHED C#CCCCCCc1nc([C@H](C)c2ccco2)no1 857088744 XETFCXKGQMWQKF-GFCCVEGCSA-N 258.321 3.551 30 20 CHED FC(F)(F)CCNN=Cc1ccsc1C(F)(F)F 863109647 WYJQUJQNCRCSJL-UHFFFAOYSA-N 290.232 3.643 30 20 CHED CC(C)=CCCC(C)=NNCC(F)(F)C(F)(F)F 863181457 OHLONZCBEXUKDI-UHFFFAOYSA-N 272.261 3.896 30 20 CHED CCC[C@H](CC)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 873495423 NFRIOAGLNSPBIH-RYUDHWBXSA-N 269.348 3.565 30 20 CHED CCOc1ccc(NC[C@H](C)CCC#N)cc1OCC 876820150 LDDGPAHYVQKJQT-CYBMUJFWSA-N 276.380 3.836 30 20 CHED C[C@H](CCC#N)CNc1cc(F)c(N2CCCC2)c(F)c1 876823669 FOSNQJIKRRBCFI-GFCCVEGCSA-N 293.361 3.917 30 20 CHED C#CCCCCCCNc1ccc(F)c(NC(=O)NC)c1 877517701 PVFSOFKBQFDVBC-UHFFFAOYSA-N 291.370 3.573 30 20 CHED C=C1CCC(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 887829151 JNUDZJIKQAXLLD-UHFFFAOYSA-N 293.750 3.754 30 20 CHED C=C1CCC(C(=O)NCCc2cccc3cccnc23)CC1 887884551 ZIRQVIBOTICGGP-UHFFFAOYSA-N 294.398 3.640 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@@H](C(F)(F)F)C1)c1ccccc1 888015299 IMKLRYYDYWGTLS-GXTWGEPZSA-N 297.320 3.757 30 20 CHED C=C(CNC(=O)N(CC(F)F)C1CCC1)c1ccccc1 889043574 KKXARCHXBRENNL-UHFFFAOYSA-N 294.345 3.529 30 20 CHED C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(C#N)cc1Cl 892911218 WXWCYIAQQWVVFE-IINYFYTJSA-N 290.750 3.729 30 20 CHED CCCSC[C@@H](C)Nc1ccc(F)cc1OCC#N 893438096 ZODHWIKYDANKLG-LLVKDONJSA-N 282.384 3.672 30 20 CHED N#Cc1cnc(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)s1 896493660 UBCXOZVRFFCTCA-UONOGXRCSA-N 297.383 3.537 30 20 CHED C=CCC(C)(C)c1nc(C2(CCOC)CCCC2)no1 896624389 NIKFXSDBEIAJOF-UHFFFAOYSA-N 278.396 3.772 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)C1 896874737 ULBSMUFYDBDFKV-LSDHHAIUSA-N 277.327 3.646 30 20 CHED CCc1onc(C)c1/C=C1/Cc2cc(F)ccc2C1=O 899358570 YWALMUANZQDTMY-FLIBITNWSA-N 271.291 3.507 30 20 CHED CCCSCC(C)=NNc1oc(C(C)C)nc1C#N 901180233 TYASBJIYZBUAMK-UHFFFAOYSA-N 280.397 3.601 30 20 CHED CC(C)Oc1cccc(/C=C2\C(=O)c3nccn3[C@@H]2C)c1 901561302 RIZCNIBDFAKSBF-DYTQJMLRSA-N 282.343 3.511 30 20 CHED N#CC1(CCCCOc2ccc(F)cc2C=O)CCC1 901589155 ZPMDOLXHLKDFRA-UHFFFAOYSA-N 275.323 3.881 30 20 CHED CC[C@H](N[C@H](C)C1(OC)CCC1)c1cccc(C#N)c1 903022744 ANPPHUUIGYZQQY-CJNGLKHVSA-N 272.392 3.557 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C)sc1C 908636902 FTEBFRHCYHJQLU-CQSZACIVSA-N 291.416 3.505 30 20 CHED Oc1cccc(/C=N\CCc2ccc3ccccc3c2)c1O 915112767 FLWDDFYLPIPCTF-MOSHPQCFSA-N 291.350 3.913 30 20 CHED CCC(C)(C)C1CCC(=NNC(=S)NC2CC2)CC1 916283186 NZXHXXZEYZDBKF-UHFFFAOYSA-N 281.469 3.595 30 20 CHED COc1ccccc1C=NNc1cc(C)cc(C)c1 916346565 IWDQEMYKEQQKHX-UHFFFAOYSA-N 254.333 3.758 30 20 CHED C[C@@H](OC(=O)c1ccccc1OCC#N)c1ccc(F)cc1 920155198 WTAPPVPWNCFUBR-GFCCVEGCSA-N 299.301 3.646 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2/N=C\c1cc([N+](=O)[O-])ccc1O 920177952 MLDVKUPLXHVCLC-PMFHANACSA-N 296.326 3.715 30 20 CHED COc1ccc(O)c(C=Nc2cccc(Cl)c2F)c1 920944482 MOCIRGXSAKPWLE-UHFFFAOYSA-N 279.698 3.944 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)N[C@H](C)c1cccc(C#N)c1 920996855 RBERVPUQZHHCOG-QWHCGFSZSA-N 285.391 3.592 30 20 CHED C[C@H](COc1ccc(F)cc1F)N[C@H](C)CC(C)(C)C#N 924767336 AKTAPDMEJPMNSP-VXGBXAGGSA-N 296.361 3.650 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1CCN(CC2CCCC2)CC1 924858261 ZLPADPNSIDROSM-HNNXBMFYSA-N 291.483 3.559 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 930014330 HURCJFLAEUAUSM-IUODEOHRSA-N 270.376 3.517 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccccc1CC(C)(C)C 935401285 XZJRSLQNOPWLAT-CQSZACIVSA-N 272.392 3.697 30 20 CHED C[C@@H](c1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1117249408 RAUDQHICQPAOCN-LBPRGKRZSA-N 275.311 3.760 30 20 CHED N#CC1(CC(=O)OCC(=O)C2CCCCC2)CCCCC1 1118416611 NXZHDNVDCRYOQV-UHFFFAOYSA-N 291.391 3.543 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1csc(C#N)c1 1147695457 CBTDELODAGUXRT-UHFFFAOYSA-N 285.372 3.692 30 20 CHED CCCN(Cc1ccccc1)c1cc(C)c(C#N)cn1 1162769253 IDEVBXNUBUAIKA-UHFFFAOYSA-N 265.360 3.678 30 20 CHED N#Cc1nc(Oc2cccc3c2OCCC3)ccc1Cl 1163590524 CQZWIMXOYNQUIH-UHFFFAOYSA-N 286.718 3.724 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCCC2CCC2)n1 1166383812 OTQGYCBQNHVVLQ-UHFFFAOYSA-N 258.365 3.820 30 20 CHED Cc1cc2cc(CNCc3cccc(F)c3C#N)ccc2[nH]1 1181574737 BLOMPESWBAQPDY-UHFFFAOYSA-N 293.345 3.777 30 20 CHED CCCCN(C)c1c(Br)cccc1C#N 1184616966 FWZWWTIMYCBVKT-UHFFFAOYSA-N 267.170 3.557 30 20 CHED CC1(C)CN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1218514346 QKLXYIOPIZJNRV-UHFFFAOYSA-N 291.420 3.791 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CC1CCC(OC)CC1 1262654220 AQHHTNWDXCXYTJ-HWOWSKLDSA-N 279.424 3.539 30 20 CHED N#CCOc1ccc(NC(=O)c2ccsc2Cl)cc1 1264056195 GGRKEFJLNMLAIX-UHFFFAOYSA-N 292.747 3.556 30 20 CHED CCc1ccc(C(C)(C)CNc2ncccc2C#N)cc1 1306987614 WXFXXIYDNHJJCS-UHFFFAOYSA-N 279.387 3.905 30 20 CHED CCc1ccc2c(c1)CCN2c1snc(Cl)c1C#N 1307230747 XGWXUHIJOHZAPG-UHFFFAOYSA-N 289.791 3.925 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(OC)c2ccccc12 1320593662 ZWTHCSSTHBYHHF-ZIAGYGMSSA-N 285.387 3.700 30 20 CHED CC[C@H](C)[C@H](NC(=O)CC#Cc1ccccc1)C(F)(F)F 1320813002 GJLZVJOPTHKOBY-WFASDCNBSA-N 297.320 3.521 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cn(C)nc1C 1321783659 ODGQACLPGOJKIB-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CC[C@@H]1CCC[C@H]1c1nnc(COc2ccc(C#N)cc2)o1 1329294800 CFKITJJQDLXKQT-UKRRQHHQSA-N 297.358 3.814 30 20 CHED CCN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)[C@H](C)C#N 1331283820 WTOFRDNFJRXBAZ-UMCURTJPSA-N 297.185 3.767 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccc(CCC)cc1 1331382054 DLROSWVWNYACCB-UHFFFAOYSA-N 280.433 3.910 30 20 CHED N#Cc1cc(-c2nc(-c3ccccc3Cl)no2)cs1 1332047445 YTMRZHFSBAIJRA-UHFFFAOYSA-N 287.731 3.990 30 20 CHED C=CCN(C(=O)c1cc(C(F)(F)F)ccn1)C(C)(C)C 1333619844 VMATWWMBCVFXLZ-UHFFFAOYSA-N 286.297 3.527 30 20 CHED C=C(C)CCC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 1335861155 FBLQKHNCFYIFCQ-DOTOQJQBSA-N 287.403 3.627 30 20 CHED CN(C)c1cccc(Cl)c1C=NOCc1ccccc1 1341340635 AQJXHKMFRHXVTH-UHFFFAOYSA-N 288.778 3.957 30 20 CHED C=CCN(CCOC)C(=O)Nc1c(C)cc(Cl)cc1C 1343603933 VCUFJFRMICLZCC-UHFFFAOYSA-N 296.798 3.623 30 20 CHED C[C@H]1CCCC[C@H]1c1nnc(COc2ccc(C#N)cc2)o1 1346638423 JAZHMEGZIMYXNA-SWLSCSKDSA-N 297.358 3.814 30 20 CHED CCCCCC[C@@H](C)C(=O)[C@H](C#N)c1nccn1CC 1347338074 OSQSMNZLZKTJGS-KGLIPLIRSA-N 275.396 3.686 30 20 CHED C=C(CC)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F 1352197918 GCGQTSPDUIXAHY-SNVBAGLBSA-N 287.281 3.921 30 20 CHED C=C(Cl)CNC(=O)C1(c2cccc(Cl)c2)CC(C)C1 1444353962 GZKFVHKAUMXXBJ-UHFFFAOYSA-N 298.213 3.876 30 20 CHED N#Cc1cc(=N[C@@H](c2ccccc2)C2CCCC2)cc[nH]1 1472685592 VOZQUKBLIWAMNM-SFHVURJKSA-N 277.371 3.719 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(F)c(C(C)=O)c1 1521568911 OKNQKYQAPVSHSU-UHFFFAOYSA-N 263.312 3.569 30 20 CHED N#Cc1cccc(NC(=O)c2cccc(C3CC3)c2)c1 1523613003 WJISXLMVZPWTLY-UHFFFAOYSA-N 262.312 3.688 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1528490936 UWWLCVLCOVKNLC-BFHYXJOUSA-N 263.381 3.828 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1538757868 VDBAAEVUQZGQOY-LVQVYYBASA-N 276.424 3.744 30 20 CHED CNc1ccc(C)cc1CNCc1ccc(C#N)c(Cl)c1 1560452163 PDYLRHYPXDHWLG-UHFFFAOYSA-N 299.805 3.852 30 20 CHED C[C@H]1CCCC[C@H]1CN(C)Cc1ccc(C#N)cc1 1560681678 RNFPVTUEPJLUAA-YOEHRIQHSA-N 256.393 3.816 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)cc1F 1583081621 XYTYGFYTTBHRMM-FOLVSLTJSA-N 286.350 3.852 30 20 CHED C=CCCC(=O)Nc1cccc2cc(C(=O)O)sc12 1588776813 HQERMSZVPCFGKQ-UHFFFAOYSA-N 275.329 3.504 30 20 CHED N#CCC1(CSc2cc(Cl)ccc2C(=O)O)CC1 1601062348 IGGJZANHEDQRTN-UHFFFAOYSA-N 281.764 3.824 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1CCOc1ccccc1C#N 1642115514 ITPPZAPGEYRROL-RDJZCZTQSA-N 286.419 3.838 30 20 CHED CCc1nc2ccc(Nc3cc(C#N)nc(C)n3)cc2s1 1642852988 IYAQTMREGRYZRL-UHFFFAOYSA-N 295.371 3.572 30 20 CHED N#Cc1ccc(Sc2cc(C(F)F)ncn2)c(F)c1 1650764654 CDWUKAQDESQLRN-UHFFFAOYSA-N 281.262 3.576 30 20 CHED Cc1cc(NC/C=C\Cl)n2c(nc3ccccc32)c1C#N 1651495168 OCERSDUKMTVZEX-DAXSKMNVSA-N 296.761 3.832 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2snc(C)c2C#N)c1 1651572783 RWWUZZZGDAIQRR-LBPRGKRZSA-N 285.416 3.983 30 20 CHED CCS[C@@H]1CCCC[C@H]1Nc1cc(C)c(C#N)cn1 1651605096 DCKYRNURESNVEZ-ZIAGYGMSSA-N 275.421 3.738 30 20 CHED CC[C@@H](Nc1cc(C)c(C#N)cn1)c1ccc(F)cc1 1651678580 UPYDNAVWBUACJR-OAHLLOKOSA-N 269.323 3.964 30 20 CHED CO[C@@H](COc1cc(Cl)cc(C#N)c1)CC(C)C 1652869295 SFJTVRUXXVTZIL-CQSZACIVSA-N 267.756 3.652 30 20 CHED CCc1cccc2cc(CN3CCC[C@@H](C#N)C3)oc12 1653091332 WFNTZOWGXGFJES-ZDUSSCGKSA-N 268.360 3.731 30 20 CHED COc1ccc2c(c1)[C@H](Nc1nc(C)ccc1C#N)CCC2 1655335645 IJERGIMQXFZTBZ-QGZVFWFLSA-N 293.370 3.760 30 20 CHED CCc1cccc2c1N(Cc1ccc(F)c(C#N)c1)CC2 1657668700 VJCMUVWMBKZUFU-UHFFFAOYSA-N 280.346 3.822 30 20 CHED Cc1ccc(-n2cc(NC[C@@H](C)CCC#N)cn2)c(C)c1 1658891967 XVLUZFCBUYHGEE-AWEZNQCLSA-N 282.391 3.841 30 20 CHED C=C(Cl)CNC(=O)Nc1nc2c(s1)CC(C)(C)CC2 1662761488 WJGSKFXEXJSZAD-UHFFFAOYSA-N 299.827 3.532 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1sccc1C#N 1663159701 PQOHWFGPKDTJHX-NXEZZACHSA-N 265.382 3.566 30 20 CHED CC(C)C[C@@H]1CCC1=NNc1ccc(C(=O)O)cc1 1776013971 AYQWBROYLPVWDJ-LBPRGKRZSA-N 260.337 3.609 30 20 CHED CC(=NN[C@@H](C)C1CCCCC1)c1csc(C(=O)O)c1 1776040565 YHVRANNISMWXHU-JTQLQIEISA-N 294.420 3.729 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@H]2CCC[C@@H](F)C2)CC1 1776168240 LRPHEPYGAZHGDH-LSDHHAIUSA-N 297.414 3.648 30 20 CHED COc1cccc(/C=N/CCOc2ccc(C)cc2C)c1O 5402877 QSGRJLKQHMGFCL-XDHOZWIPSA-N 299.370 3.516 30 20 CHED CCc1ccc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 6285454 RUWXNUYVDLBAOZ-CYBMUJFWSA-N 293.370 3.560 30 20 CHED N#Cc1ccc(CNCc2ccccc2Cl)cc1 19908253 RTMHHRCIMVKNLQ-UHFFFAOYSA-N 256.736 3.501 30 20 CHED Cc1ccc(CCC(=O)Nc2ccc(CC#N)cc2)c(C)c1 25962270 AXZIYCRVZWSPCS-UHFFFAOYSA-N 292.382 3.941 30 20 CHED CCc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 35256345 RDKUKVPFPBJPLP-AWEZNQCLSA-N 264.372 3.971 30 20 CHED CC(C)CN(CCC#N)Cc1ccc2ncccc2c1 43419681 CVWCGTQFFZQRGQ-UHFFFAOYSA-N 267.376 3.606 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1c(F)cccc1Cl 50212861 DOJVXXZLSLSFIX-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(Br)CN(CC)[C@H](C)c1ccc(C#N)cc1 54340152 BBHVBWLGMKPXHW-GFCCVEGCSA-N 293.208 3.850 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)CCc1ccccc1 56475684 XHVOEEPWFUIZGJ-UHFFFAOYSA-N 294.354 3.528 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cnc(C(C)(C)C)s1 63962551 YDTPGMPEXPSQID-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C#CCN(C(=O)c1ccc(Cl)cc1)C1CCCCC1 65777813 ZLVPLIOSVBQQNO-UHFFFAOYSA-N 275.779 3.748 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1C 66416784 UTOTTYWEIGVOIR-XJKSGUPXSA-N 270.376 3.599 30 20 CHED N#CCCCN1CCC[C@H]1Cc1ccccc1Cl 66425269 WUDNMJXHSRDKLM-AWEZNQCLSA-N 262.784 3.651 30 20 CHED Cc1nnc(N2CCC[C@@H](C(C)(C)C)CC2)c(C#N)c1C 71202957 MWPDYCPAVINUQE-CQSZACIVSA-N 286.423 3.618 30 20 CHED C=CCN(Cc1csc(COC)n1)CC1CCCCC1 75739377 ARECHQSRLQZMQQ-UHFFFAOYSA-N 294.464 3.858 30 20 CHED C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 76085448 BVJBMISJFROQOW-CYBMUJFWSA-N 279.343 3.635 30 20 CHED C=CCn1c(S[C@H]2C=CCCC2)nnc1-c1ccco1 76610181 ODDHOQSPDJDTEC-LBPRGKRZSA-N 287.388 3.925 30 20 CHED C[C@](O)(CNc1ccc(C#N)c(Cl)c1)c1ccsc1 77236356 UAASNBZDELDWSJ-AWEZNQCLSA-N 292.791 3.593 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(CC#N)c1 78842695 ZGRSTUNICIHEBP-UHFFFAOYSA-N 290.366 3.581 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)[C@@H](C)c1ccccc1 90117856 RVPZPBCLTPMTCM-KGLIPLIRSA-N 282.362 3.979 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(OC(F)F)c(Cl)c1 93091177 DLCZZOFZOWLDKL-VIFPVBQESA-N 288.725 3.675 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)CC(C)(C)CCC#N)C1 93869073 ZWBKSYJTTYZKQK-ZIAGYGMSSA-N 268.470 3.922 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2C)cc1OC 97993089 ZVQUFTOWZNZTAA-NTMALXAHSA-N 282.339 3.908 30 20 CHED C=CCCC(=O)Oc1ccc2c(CCC)cc(=O)oc2c1 102217032 JMHVLGJGANWQLO-UHFFFAOYSA-N 286.327 3.617 30 20 CHED C=CCCC(=O)N(CC)[C@@H](C)c1cccc(OC)c1 102226943 FGWNTIGXFKUAFR-ZDUSSCGKSA-N 261.365 3.571 30 20 CHED CCCCCCCC(=O)NC[C@@H](C)CN1CCCCC1 105387400 DKFHWXUJPXWTHR-MRXNPFEDSA-N 282.472 3.585 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccccc2)cc1 107318351 IOOJPMBVPJVKBE-GJZGRUSLSA-N 280.371 3.828 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)Cc2ccccc2C)CC1 111474033 PRBNOWJBTPOLQK-HNNXBMFYSA-N 286.419 3.534 30 20 CHED C=CC[C@H](C)NCc1csc(Br)c1 116926363 BDLRYXPNJRZVSG-QMMMGPOBSA-N 260.200 3.565 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)CSc1ccc(F)cc1 118941860 ARADZVBKPDIFOP-NWDGAFQWSA-N 281.396 3.635 30 20 CHED Cc1cc([C@H](C)/N=C/c2ccc(O)c(O)c2O)c(C)s1 120529146 XETBZRYPGCKORH-UVSFYCKTSA-N 291.372 3.662 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)cc1 120628838 IZQNVGJEWXGDAA-XBXARRHUSA-N 256.276 3.736 30 20 CHED C=C(C)CNCc1csc(-c2ccc(F)cc2)n1 122526297 PIZYSEPRFNGASX-UHFFFAOYSA-N 262.353 3.615 30 20 CHED Cc1cc(C(=O)COc2ccc(C#N)cc2)cc(C)c1F 125787320 LUVJEOVESGSWOU-UHFFFAOYSA-N 283.302 3.576 30 20 CHED C=C(C)COc1cccc(NCc2ccc(COC)o2)c1 129265524 MUKYTZUWMPUWIS-UHFFFAOYSA-N 287.359 3.993 30 20 CHED Cc1ccccc1/C=N/OCc1ncc(C(C)(C)C)o1 130183035 NTAZKHYSADPBJU-GIJQJNRQSA-N 272.348 3.831 30 20 CHED N#Cc1cc(Br)ccc1NCCc1ccco1 130424123 ZVTMDSIOGPWRCM-UHFFFAOYSA-N 291.148 3.568 30 20 CHED CCCN(CC#N)Cc1nc2cc(C(F)(F)F)ccc2o1 132361431 BTRJDHYOHKMZPM-UHFFFAOYSA-N 297.280 3.582 30 20 CHED C=CCNC(=O)Nc1ccc(NCc2ccc(CC)o2)cc1 134017539 VNRWJUGRKQGNEX-UHFFFAOYSA-N 299.374 3.762 30 20 CHED C=CCCCCCN(C)CCC(=O)Nc1ccccc1C#N 150897522 ZEJFIVYDLUXJAP-UHFFFAOYSA-N 299.418 3.565 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 151669274 UCWVNBRXUXHNAL-ZDUSSCGKSA-N 269.344 3.931 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccc(Cl)cc1 151968944 AELLKFZPRCMQQL-JTQLQIEISA-N 269.797 3.976 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 152281384 OWHONLLUOKUASQ-NWDGAFQWSA-N 265.784 3.599 30 20 CHED C=CC1CCN(C(=O)[C@H](c2ccccc2)C2CC2)CC1 153907909 ADLAQMJKVJVDCQ-QGZVFWFLSA-N 269.388 3.605 30 20 CHED N#Cc1ccc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 157547184 DGSKINHDYFITSG-RBUKOAKNSA-N 292.382 3.568 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 160491824 UMNFNPKJNIOLKH-UHFFFAOYSA-N 268.335 3.719 30 20 CHED COc1ccc([C@H]2CCCN2CCCCC#N)cc1OC 160961310 ZZGCHAKFGUWZQS-OAHLLOKOSA-N 288.391 3.535 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1noc(Cc2ccccc2)n1 165379262 YEWJJAWCEPODEX-KKUMJFAQSA-N 299.418 3.912 30 20 CHED C=C(Br)CN[C@@H]1CCC(C)(C)C[C@@H]1C 168203839 ZIXXIGMYXDCSEL-GXSJLCMTSA-N 260.219 3.699 30 20 CHED C=CCCC(=O)NCCc1csc2ccccc12 171435960 AFRYZEAKROBILZ-UHFFFAOYSA-N 259.374 3.526 30 20 CHED C=CCOCCCC(=O)Oc1ccccc1SCC 174339432 FTTVAIOWIXEWSW-UHFFFAOYSA-N 280.389 3.687 30 20 CHED Cc1cscc1C(=O)[C@H](C#N)c1nc2ccccc2o1 175122040 MPXGXEDRIYSSNX-JTQLQIEISA-N 282.324 3.688 30 20 CHED C=C(C)CN(C)CCC(=O)Nc1cccc2ccccc12 181296942 IVJUYOWTNPZSTJ-UHFFFAOYSA-N 282.387 3.676 30 20 CHED CC1CCN(CCCCN[C@H](C)c2ccc(C#N)cc2)CC1 181512468 VULBEBXNZWHZFH-QGZVFWFLSA-N 299.462 3.721 30 20 CHED C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(OCC#N)cc1 183401854 NPLVIYPFXRWATI-CYBMUJFWSA-N 298.390 3.714 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 185303660 HKVOYUJXUCKNPK-UHFFFAOYSA-N 282.343 3.693 30 20 CHED CC(C)(C)c1csc(CCN[C@H]2CCC[C@@H](C#N)C2)n1 185820167 JHXZFDWWWCXGPP-OLZOCXBDSA-N 291.464 3.655 30 20 CHED C=C(C)[C@H](NC(=O)NC1(C)CCC1)c1ccc(F)c(F)c1 185830094 KRDRKSQPZSNKHM-AWEZNQCLSA-N 294.345 3.824 30 20 CHED CC1(C)C[C@@H](NCc2ccc(Cl)cc2C#N)C(C)(C)O1 189226040 HLYZHFLJWPPDNM-CQSZACIVSA-N 292.810 3.647 30 20 CHED C[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 190940251 WNWHWFANQOTQSX-YOEHRIQHSA-N 299.418 3.668 30 20 CHED C=CCN(CC=C)C(=O)C(C)(C)c1cccc(Cl)c1 193125480 IWKSJMGXKPAQDZ-UHFFFAOYSA-N 277.795 3.818 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CCc1ccc2ccccc2c1 193380392 VADPLXMEANPFBM-LJQANCHMSA-N 294.398 3.827 30 20 CHED CSc1ccccc1C(=O)/C=C/c1ccc(F)nc1 194594002 PLVLVTURVYMJSW-SOFGYWHQSA-N 273.332 3.839 30 20 CHED CCOc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1O 209181535 AWOSTULVXUQLPN-CLFYSBASSA-N 282.339 3.995 30 20 CHED N#Cc1cc(F)cc(OCc2cccc(Cl)c2)c1 227636274 HLQSUGWQKYRQKY-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1ccc(CNc2ccc(C#N)c(Br)c2)o1 228185697 CQXFMTTYVAFZAO-UHFFFAOYSA-N 291.148 3.834 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2F)c(F)c1 229910033 VJTOBEOLKXNRIF-TWGQIWQCSA-N 274.266 3.870 30 20 CHED COc1cc(CNc2cccc(C)c2C)ccc1C#N 234907202 HEZJQRBVBWGASE-UHFFFAOYSA-N 266.344 3.796 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2ccc(F)cc21 235763061 JGJCPARSRSLVDT-UHFFFAOYSA-N 266.319 3.569 30 20 CHED N#Cc1ccnc(N2CCC3(CCCC3)CC2)c1Cl 236029011 KHMCAEFFSAHPHI-UHFFFAOYSA-N 275.783 3.767 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H]1c1ccccc1Cl 246043735 SKFOAXOYNWYLSE-BBRMVZONSA-N 279.811 3.804 30 20 CHED N#Cc1ccc(/C=C\c2ccc(OC(F)F)c(F)c2)nc1 255295198 SOCMWYXFOXZSBH-RJRFIUFISA-N 290.244 3.864 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cn2cc(Cl)ccc2n1 255895428 VSFJWTIXUVDOFM-ARJAWSKDSA-N 286.718 3.785 30 20 CHED C=CCCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 263645099 FBFKTRBXYXPNCM-UHFFFAOYSA-N 274.364 3.576 30 20 CHED CCCC(O)(CCC)CN[C@H](C)c1cccc(C#N)c1 271807900 AAMBHDZVBMRDPJ-CQSZACIVSA-N 274.408 3.540 30 20 CHED C=CCC1(C(=O)NCc2cc3ccccc3[nH]2)CCC1 276670155 YWASLUABSUXPGN-UHFFFAOYSA-N 268.360 3.531 30 20 CHED CN(CCCCC(C)(C)C#N)[C@H](CCO)c1ccccc1 277655566 IQYOQABRJZHNSO-QGZVFWFLSA-N 288.435 3.762 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)CC(C)(C)C#N 278575066 RGQYINUSHKFFQV-UHFFFAOYSA-N 296.823 3.856 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(F)c(C#N)c1)C1CC1 278641553 NZLIFSXXAMTAPD-NEPJUHHUSA-N 288.366 3.737 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 281523003 XEWXLRUXZOTIGC-YUTCNCBUSA-N 279.330 3.539 30 20 CHED C=C(C)CCc1noc([C@H]2CCO[C@@H](CCC)C2)n1 285278264 ZIJYCIJXVGELFQ-STQMWFEESA-N 264.369 3.641 30 20 CHED COc1cc(C)c([C@H](C)OC(=O)CCCC#N)cc1C 291703994 KQMHEWJOLSIMQQ-ZDUSSCGKSA-N 275.348 3.610 30 20 CHED CCCCCCCCNC(=O)c1ncoc1C1CC1 293562796 PUANCOFPPGHKNX-UHFFFAOYSA-N 264.369 3.642 30 20 CHED C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)c2ccccc2O1 295112397 VFMUJVKZZKAOIU-SJKOYZFVSA-N 296.345 3.699 30 20 CHED CCc1c(C(=O)N[C@H](C#N)C(C)(C)C)oc2ccccc12 295228638 YYMBXMNBBIIPOR-CQSZACIVSA-N 284.359 3.663 30 20 CHED C#CCN(C(=O)Nc1cccc(C(F)(F)F)c1C)C1CC1 296448303 ACSXVJBAPLCTLK-UHFFFAOYSA-N 296.292 3.643 30 20 CHED C#CC[C@H](Nc1ccc2c(n1)CCCC2=O)c1ccccc1 297559931 RLLIMKNOLHBEMQ-INIZCTEOSA-N 290.366 3.777 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2nccn2C(C)C)cc1 298259091 FRJIRJGJVBRVIB-OAHLLOKOSA-N 285.416 3.999 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1cccc(OC(F)F)c1 301075224 FRWXPMXXHURLIU-SNVBAGLBSA-N 289.285 3.728 30 20 CHED CC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 301247853 LSPMUXPYZHFMFT-GWCFXTLKSA-N 298.308 3.581 30 20 CHED CN(Cc1ccccc1C(F)(F)F)c1ccc(C#N)nc1 301578153 MVSSKAVRCYWRBE-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC[C@H](Nc1ccc(Cl)c(C#N)n1)c1c(C)noc1C 301823331 LCOMLPCOSNMTKM-NSHDSACASA-N 290.754 3.775 30 20 CHED Cc1ccc(C#N)c(N2CC[C@@H](c3c(F)cccc3F)C2)n1 302233474 ZBQIMJRFCULJAM-CYBMUJFWSA-N 299.324 3.534 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCC2CC2)c1 302322811 WVLQNXANZRLKQC-UHFFFAOYSA-N 254.255 3.789 30 20 CHED C[C@H](C#N)OCCSCc1ccccc1Cl 304211972 FJHOWWUUDRFCDB-SNVBAGLBSA-N 255.770 3.502 30 20 CHED O/C(CC1CCCCC1)=N/CCc1cnc(C2CC2)nc1 328862102 MABUDOSPULWKJB-UHFFFAOYSA-N 287.407 3.823 30 20 CHED CC(C)C[C@@H]1C[C@H](/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2)CCO1 329253133 YXRLMDPXKWZBOW-KBUPBQIOSA-N 295.423 3.542 30 20 CHED CC1(C)CCC(/N=C(/O)c2snnc2C2CC2)CC1 329546053 ZXCKAOORWAGRDA-UHFFFAOYSA-N 279.409 3.689 30 20 CHED C[C@H]1CC[C@H](C)N1CC(O)=Nc1cccc(-c2cc[nH]n2)c1 329876830 IKNVUIIHWLBOSB-STQMWFEESA-N 298.390 3.538 30 20 CHED Cc1ccc(N=C(O)C2CCC(=O)CC2)cc1-c1ncco1 330102465 GGAFDNRZQZKXDD-UHFFFAOYSA-N 298.342 3.997 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@@H](C)c2ncc(C)s2)s1 331175629 GNGWKQMJFMKFEK-VIFPVBQESA-N 295.433 3.845 30 20 CHED Cc1c(C(=O)N(C)[C@H](C)CC#N)sc2cc(F)ccc12 334329277 NOSPDWNLVGJGLV-SECBINFHSA-N 290.363 3.723 30 20 CHED N#CCC1CCN(Cc2cccc(F)c2Cl)CC1 334407642 HMPLDDFLVIXYAP-UHFFFAOYSA-N 266.747 3.605 30 20 CHED N#CCc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)c(Cl)c1 334527897 WLZDKSBDLWFSSD-RYUDHWBXSA-N 288.778 3.781 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC(F)(F)C1)CC2 334685148 ABEDGQDUCPEJHK-IUODEOHRSA-N 276.330 3.571 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2c(Cl)cccc2Cl)no1 335152315 OYCQYLYJGVDWTR-UHLUBPPHSA-N 294.141 3.845 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2cccnc2)C1 335419778 XQGBPHNPMJELIH-RDTXWAMCSA-N 277.371 3.504 30 20 CHED C[C@H](NC1CCC2(CCOCC2)CC1)c1ccc(C#N)cc1 335765500 YRJMIMAMUIWIIR-HNNXBMFYSA-N 298.430 3.948 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2ccccn2)c(C)cc1Cl 336089855 WAKMKKFMZNEKLT-CYBMUJFWSA-N 284.746 3.842 30 20 CHED CC(=O)Nc1cc(NC2CCC(C)(C#N)CC2)ccc1C 336227505 STVPKLJSNWNFAT-UHFFFAOYSA-N 285.391 3.838 30 20 CHED C=CCCc1ccccc1NC(=O)CC1CCC(=O)CC1 337134451 LQWAWKOTFRGUFS-UHFFFAOYSA-N 285.387 3.893 30 20 CHED CC(C)C1(C)CCN(CCCC2(C#N)CCOCC2)CC1 337209740 SNQWXDZEPDHFRV-UHFFFAOYSA-N 292.467 3.845 30 20 CHED CC(C)Oc1ccc([C@H](C)Nc2ccc(C#N)nc2)cc1 338655763 JBYLVPABRRZDLN-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@H]1CC[C@H](SCC)C1 341259694 NEYVOFPTPOURSG-STQMWFEESA-N 269.454 3.721 30 20 CHED COCC1(C#N)CCN(Cc2ccc3ccccc3c2)CC1 341968253 AQFJPWPEDIDJIS-UHFFFAOYSA-N 294.398 3.592 30 20 CHED C=CCCN(C)C(=O)[C@@H](OC(C)(C)C)c1ccccc1 341983318 LUOZMDZLADZEKS-HNNXBMFYSA-N 275.392 3.577 30 20 CHED Cc1ccnc(N[C@@H]2CCCOc3c(F)cccc32)c1C#N 343543781 WFGCHEMMIPDHRQ-OAHLLOKOSA-N 297.333 3.727 30 20 CHED C=CCCCCCN(C)C(=O)CCn1ccnc1C(C)C 346336231 LIJVTSVWHNBLPH-UHFFFAOYSA-N 291.439 3.601 30 20 CHED C=CCOCCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 347964863 LMRBEPVDEQPJBA-YOEHRIQHSA-N 289.419 3.960 30 20 CHED C=CCOCCCN(C)[C@H](C)c1sc(CC)nc1C 348049709 JDDJBFNHXUHVDJ-CYBMUJFWSA-N 282.453 3.599 30 20 CHED CC[C@H](NC[C@@H]1CCCSC1)c1ccc(C#N)cc1 348214155 KSOSILSYHAPBBA-HOCLYGCPSA-N 274.433 3.742 30 20 CHED N#Cc1cnccc1/C=C/c1ncc(-c2ccccc2)[nH]1 349114777 VRUZVUYZZKHSKZ-VOTSOKGWSA-N 272.311 3.514 30 20 CHED N#Cc1ccccc1CN1CCc2c(Cl)cccc2C1 353562748 BPCAGHYSTKJNDL-UHFFFAOYSA-N 282.774 3.770 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1ccc(F)c(C#N)c1 355200576 RYIZTENZDWMKQP-UHFFFAOYSA-N 297.333 3.690 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)CC(=O)c2ccccc2)CC1 356323668 YCHOILUUCYKUBJ-AWEZNQCLSA-N 285.387 3.511 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H]1C1CCC1 358958700 PJACRVHAEHJPKT-OAHLLOKOSA-N 286.423 3.501 30 20 CHED CS[C@H](C)CCC(=O)N(C)c1cc(Cl)ccc1C#N 359065503 OQRRZNDUTPMKMJ-SNVBAGLBSA-N 296.823 3.706 30 20 CHED C=CCOc1cccc(NC(=O)C2(CC=C)CCC2)c1 359190727 HXXXXPNEBMDEAK-UHFFFAOYSA-N 271.360 3.936 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(C#N)cc1 360997624 SYRMTHZODDXAOE-IUODEOHRSA-N 270.376 3.503 30 20 CHED C=CCCC1(C(=O)Nc2cccc3cccnc23)CC1 361464250 BJCJMCACKKILPA-UHFFFAOYSA-N 266.344 3.920 30 20 CHED Cc1ccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1C 361547167 FFVZFQPQTOXIKK-LJQANCHMSA-N 293.414 3.851 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]1c1ncc[nH]1 375066553 RWDDZXRKQDEERF-CQSZACIVSA-N 277.412 3.824 30 20 CHED C=CCC(CC=C)C(=O)N1CC=C(c2ccccc2F)C1 378601632 TZOPCTLUASCXQT-UHFFFAOYSA-N 285.362 3.820 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 397626551 SGJIOGCGUMJOSE-MWDXBVQZSA-N 288.435 3.745 30 20 CHED C=CCCC[C@H](C)N[C@H]1C[C@H](OCC)C12CCC2 398122329 RLDULTBRNDJPJO-KKUMJFAQSA-N 251.414 3.669 30 20 CHED N#CCc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)cc1 398984808 AHKVZIREVTXZPC-ZWKOTPCHSA-N 268.404 3.765 30 20 CHED N#CCc1ccc(COc2ccc(C#N)cc2Cl)cc1 398995601 OUBGKZSELFCSIN-UHFFFAOYSA-N 282.730 3.857 30 20 CHED Cc1ccc([C@@H](O)COc2cc(Cl)cc(C#N)c2)cc1 402436693 LYSDZWTVUDVWLR-INIZCTEOSA-N 287.746 3.633 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](CC)CC(F)(F)F 410561978 XPXUJGMTFALVSP-LLVKDONJSA-N 292.345 3.944 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@]1(C)CCC[C@@H]1C 411056716 NICJJGSXIOTJSM-GTNSWQLSSA-N 284.359 3.526 30 20 CHED C[C@H](CCC#N)N1C[C@H](c2ccccc2)C(C)(C)C1 411380386 AUSIYWVKLQDUMN-GDBMZVCRSA-N 256.393 3.804 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@H]1CCC[C@H]1C(C)(C)C 413556792 STHOVCZAVVRLSI-KGLIPLIRSA-N 293.455 3.830 30 20 CHED CCCN(CC1CCCCC1)C(=O)NCC1(C#N)CCC1 419646840 NUPPMVHNIIFWBO-UHFFFAOYSA-N 291.439 3.682 30 20 CHED N#C[C@@H]1CC[C@H](NCc2csc(-c3cccs3)n2)C1 424191427 HLDMHECMQARXSF-MNOVXSKESA-N 289.429 3.653 30 20 CHED C=C(C)C(C)(C)c1nc(CCc2ccccc2)no1 424226592 XYQAURYRSFLQPL-UHFFFAOYSA-N 256.349 3.709 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)cn1 424810457 WTMUOMQFDCNXOS-JTQLQIEISA-N 266.772 3.515 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2cc(F)cc(C)c2C1 424816501 AUKUTZRECONOLK-UHFFFAOYSA-N 275.367 3.621 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1C=CCCC1 425136402 WUYVWILNTYBEMC-CABCVRRESA-N 282.387 3.824 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl 426121533 BPPHMBUSEXTEEO-CMPLNLGQSA-N 288.218 3.971 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCn1ccc2ccccc21 428053418 LEPNPZOWSDSZCB-INIZCTEOSA-N 282.387 3.599 30 20 CHED N#C[C@H]1CC[C@@H](Sc2n[nH]c(CCC3CCCC3)n2)C1 430101453 WUFJGFWIJFFBIO-QWHCGFSZSA-N 290.436 3.712 30 20 CHED C=CCN(C)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 430205779 JTGRPRDYVQNSNX-UHFFFAOYSA-N 294.398 3.989 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1OC(F)F 430751239 UEINPAZIJBMJHI-JTQLQIEISA-N 298.308 3.772 30 20 CHED C=C[C@H](C)NC(=O)Nc1c(CC)cc(C)cc1CC 435178858 VQQBUBWOBYIEBQ-LBPRGKRZSA-N 260.381 3.816 30 20 CHED CCOC(=O)[C@H](CC)SCCCCC(C)(C)C#N 436201123 YWPCIDGVCJBDII-LBPRGKRZSA-N 271.426 3.781 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(O)cc1O)c1ccccc1 436630982 RIOWDHZPHDAJJN-MRXNPFEDSA-N 297.354 3.535 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCC)CCCC 437796972 IHWXETHVSFNSTO-XHSDSOJGSA-N 296.455 3.626 30 20 CHED COc1ccc(C#N)cc1CN1[C@H](C)C[C@@H]2CCCC[C@H]21 438174100 GBVUFUVJHQUCER-UKPHBRMFSA-N 284.403 3.720 30 20 CHED CN(CC#Cc1cccc(Cl)c1)CCC(F)(F)F 438784881 LMQRDHTXVHOSRR-UHFFFAOYSA-N 275.701 3.576 30 20 CHED Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC(C)C)c1 442763139 AOOHVHQYFFKMTC-GOEBONIOSA-N 272.392 3.564 30 20 CHED C=CCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1CC 448391077 SQERMSMYVJOPKW-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED CCC1CCC(N(C(=O)c2cc(C#N)[nH]c2C)C2CC2)CC1 448787556 SZVJKVSVPKSPHX-UHFFFAOYSA-N 299.418 3.768 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)Cc1ccccc1C(F)(F)F 449521423 RMZFWADZOTYMHN-DFBGVHRSSA-N 299.336 3.570 30 20 CHED C=CC1CCN(c2nccc3cc([N+](=O)[O-])ccc23)CC1 450336420 QEQRBOQFXOOLEP-UHFFFAOYSA-N 283.331 3.545 30 20 CHED N#CC1(CN(Cc2ccccc2)CC2CCOCC2)CCC1 450386860 FTMOWRLPXSYLMD-UHFFFAOYSA-N 298.430 3.609 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1c1ccc(C#N)nc1 450604110 VPIHPDQYZVVCRN-QWQRMKEZSA-N 277.371 3.724 30 20 CHED CC(C)(CCC#N)CNC1CCc2ccccc2CC1 453238041 VVMZSNJRHPKONR-UHFFFAOYSA-N 270.420 3.854 30 20 CHED CN(C(=O)C(C)(C)Cc1ccc(C#N)cc1)c1ccccc1 454138334 CPXXGKHDOVDPAA-UHFFFAOYSA-N 292.382 3.790 30 20 CHED CCC[C@H](NC(=O)NCC(C)(C)CCC#N)C(C)(C)C 454952930 FGDTWOGMCOLOFE-ZDUSSCGKSA-N 281.444 3.830 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1/C=C\c1ccccc1 455331465 WXMJRYGDKJHICS-MQNTZWLQSA-N 284.403 3.840 30 20 CHED C=CCC1(CNC(=O)N(C)CCCSC)CCCC1 455477133 KMKBFOQIHPZLHV-UHFFFAOYSA-N 284.469 3.517 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cnc(C(C)(C)C)s2)c1 456961966 JBNNRPVPKZWMED-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2nc3c(s2)CCC3)CCC1 457936126 UFBWAXDCSFYGEX-LLVKDONJSA-N 290.432 3.555 30 20 CHED C=CCOCC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 458132522 RCMJXONWDDZTPS-GOSISDBHSA-N 299.414 3.723 30 20 CHED Cc1cccnc1[C@H]1CCC[C@H](NCC(C)(C)CC#N)C1 459683744 BDMNKGFITRKVSW-HOTGVXAUSA-N 285.435 3.946 30 20 CHED C=CCCC1(C(=O)NCCc2ccc(C=C)cc2)CC1 462566467 BEBFYTIRCZTTRV-UHFFFAOYSA-N 269.388 3.735 30 20 CHED C[C@H](CCc1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 463243385 REJGELJVADVWGO-CYBMUJFWSA-N 296.345 3.905 30 20 CHED CC1(C)CCC[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C1 464158167 IEVXCWGZLOMAEL-LRDDRELGSA-N 264.413 3.647 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[C@H]1C 466712142 WMHKLQZKOVWHBV-KGLIPLIRSA-N 292.448 3.882 30 20 CHED C=CCC[C@H](C)Nc1ccc(Cl)c(N2CCNC2=O)c1 467418118 IVLWFYJCQYMFLP-NSHDSACASA-N 293.798 3.636 30 20 CHED C=CC[C@H]1N(C(=O)c2cccs2)CCCC1(C)C 470311644 ZQRQXDZCYBSARC-CYBMUJFWSA-N 263.406 3.955 30 20 CHED C=CCCCCNC(=O)N1CC=C(C(C)(C)C)CC1 474091863 YSBAEHAWMQOVEG-UHFFFAOYSA-N 264.413 3.731 30 20 CHED C=CC[C@H](C)NC(=O)N(CC(=C)C)Cc1ccccc1 474569453 AZHDTBZYILGJQK-HNNXBMFYSA-N 272.392 3.739 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)S[C@H](CC)CCC 477077004 MIRCDDGUCYKYEK-ZIAGYGMSSA-N 269.454 3.887 30 20 CHED C=CCCCCCN(C)C(=O)NCCC=C(C)C 479845992 HFKXZCKIPIAUDQ-UHFFFAOYSA-N 252.402 3.731 30 20 CHED CC[C@H](C#N)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 479938099 DGNRLXJUXPQPAF-MRVPVSSYSA-N 296.157 3.507 30 20 CHED C#CCN(C)C(=O)Nc1cccc(-c2cccs2)c1 491106702 YVARBLBCZNGMIO-UHFFFAOYSA-N 270.357 3.512 30 20 CHED N#C[C@@H](NC(=O)/C=C/C1CCCC1)c1ccc(Cl)cc1 493326398 SOERMKRHXXCQHT-HYJLXUOHSA-N 288.778 3.767 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 495261208 VORGPZBTCDPVES-SJORKVTESA-N 297.402 3.782 30 20 CHED CC(C)(C)CCCN1CCO[C@H](c2cccc(C#N)c2)C1 499593618 RRGLBQHKMSKYNQ-KRWDZBQOSA-N 286.419 3.758 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)Cc1cc(OC)c(OC)cc1C 502355323 PJTBUBIKJVJSSJ-GOEBONIOSA-N 291.435 3.888 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N(C)C[C@@H](C)C#N)c1 507501938 ACQWINXYYMPJCH-LSDHHAIUSA-N 286.419 3.607 30 20 CHED C=CCn1c(CC(C)C)nnc1N1CC[C@H](C(C)(C)C)C1 508919319 HEHGQCGFTBAFBQ-AWEZNQCLSA-N 290.455 3.535 30 20 CHED O=[N+]([O-])c1cccc(SCC#Cc2ccc(F)cc2)c1 509714887 UJMFQFGBAPPRKD-UHFFFAOYSA-N 287.315 3.878 30 20 CHED CC[C@H](CC1CCCC1)C(=O)NCC#Cc1ccccc1 510129532 AGFSSSOYEYFISZ-GOSISDBHSA-N 283.415 3.761 30 20 CHED CC#CCN(C)C(=O)c1ccc(-c2ccc(CC)cc2)o1 516506696 JYXRUMLBNQAFGU-UHFFFAOYSA-N 281.355 3.604 30 20 CHED Cc1ccc(C[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)cc1 518403696 JDISOBQHPSJSEZ-QYZOEREBSA-N 282.431 3.942 30 20 CHED N#Cc1ccc(SCc2ccccc2C#N)c(F)c1 525116579 AYRPYZYWPZONHN-UHFFFAOYSA-N 268.316 3.861 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)C(C#N)(CC)CC 529442167 KNOBOGPIPZGMCJ-UONOGXRCSA-N 264.413 3.649 30 20 CHED CC1=C(C(=O)Nc2nc(C)c(SCC#N)s2)CCC1 533011156 ZFYKWWSCMKIAGR-UHFFFAOYSA-N 293.417 3.506 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)o2)[C@H]2CCCC[C@@H]21 535072793 OVKVMZJSZVZDMH-WQVCFCJDSA-N 258.365 3.552 30 20 CHED C=C(C)CN[C@@H](COc1ccccc1)c1ccccc1 537116700 RARDTFFTIXKEIE-SFHVURJKSA-N 267.372 3.972 30 20 CHED C=C(CC)CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C 538141844 RPWSNQNGBCXHCU-QGZVFWFLSA-N 275.392 3.711 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1CC1(C#N)CC1 538349825 OWMPNOIIGIRVHS-DLBZAZTESA-N 268.404 3.948 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CC1CCCCCC1 538826928 ZLVQBFPGGHTXEV-UHFFFAOYSA-N 285.391 3.899 30 20 CHED CC[C@H](CSC)N(C)CC#Cc1cccc(Cl)c1 539098657 LJJKFOGFMOTSNT-OAHLLOKOSA-N 281.852 3.765 30 20 CHED C=CCC[C@H](NCCc1ccccc1OCC)C1CC1 540176640 UJQLTMQRJIKYKI-KRWDZBQOSA-N 273.420 3.962 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 541777784 MJKKCWHYABWDIK-BXUZGUMPSA-N 290.794 3.910 30 20 CHED C=CCCCCNCc1cc2ccccc2nc1OC 545315893 HYYJXHLMWMGAJF-UHFFFAOYSA-N 270.376 3.689 30 20 CHED C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H](C)C1 547956049 YCYIVRPVFYDJRT-HFAKWTLXSA-N 290.794 3.766 30 20 CHED C=C(C)COCCNc1ccnc2c(Cl)cccc12 553147499 BQQZOUSYDOBXDH-UHFFFAOYSA-N 276.767 3.893 30 20 CHED CCCOc1cccc(CNCc2ccc(C#N)s2)c1 553315153 RDTQCJGJBAVNNR-UHFFFAOYSA-N 286.400 3.698 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc(Cl)c(F)cc1Cl 559377436 FUKPUAFREAYIGT-SSDOTTSWSA-N 289.137 3.555 30 20 CHED Cc1cccc(CC(=O)N(CCC#N)c2ccc(F)cc2)c1 561916799 XRLHIFWZPCHXAP-UHFFFAOYSA-N 296.345 3.624 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@H](CC(C)C)C1 562849820 BRDXRLHWHCSDGP-CQSZACIVSA-N 251.414 3.873 30 20 CHED C=C(C)COCCNc1nccc2ccc(C)cc12 563036904 RKPUXNMGJQVHRZ-UHFFFAOYSA-N 256.349 3.548 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](CC)c1ccccc1OC 564492946 TYQLOCITWSVRCJ-ZFWWWQNUSA-N 290.407 3.752 30 20 CHED CC(C)Oc1c(Cl)cccc1NC[C@@H](C#N)CCC#N 567702872 OLVLDUPVLZUBLC-GFCCVEGCSA-N 291.782 3.983 30 20 CHED N#Cc1c(N[C@H]2CC[C@H](F)C2)cccc1C(F)F 567915477 TWMYLHDTMWBNND-IUCAKERBSA-N 254.255 3.798 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(CN(C)C)cc1 568979435 MPGJFACGZWIZQH-INIZCTEOSA-N 274.452 3.973 30 20 CHED CC#CCN(Cc1cc(Br)ccc1F)C(C)C 569209095 RAWXDNILYZUFRK-UHFFFAOYSA-N 298.199 3.822 30 20 CHED C=CCCS[C@H](C)C(=O)NCCC1=CCCCC1 569444570 JYFLRPHFRFYQIM-CYBMUJFWSA-N 267.438 3.691 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@H]2CC[C@H](C)C2)cc1 570432714 ZCJWWZSYMDRDAN-QRTARXTBSA-N 284.403 3.756 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)C[C@@H](C)C1 572260834 MKSPFIJYUNLVHE-QLFBSQMISA-N 290.455 3.850 30 20 CHED CC(C)Sc1ccccc1NC(=O)NCC1(C#N)CC1 577697577 YGGZILVTCQAFKH-UHFFFAOYSA-N 289.404 3.612 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Cn1ccc2ccccc21 580909419 SXUQECSRYDIISG-GOEBONIOSA-N 284.403 3.748 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC2(CCC2)CC1 586783047 OOZCFJBTDSTJEU-CQSZACIVSA-N 254.377 3.885 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)OC(C)(C)C#N 588428726 CMNQJVJCZRDEFY-NTMALXAHSA-N 263.724 3.589 30 20 CHED CCCCn1ncc(NCC2(CC#N)CC2)c1C(C)C 594708466 YJLKXKAECFMWFR-UHFFFAOYSA-N 274.412 3.912 30 20 CHED C=C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 594846424 SQBDSQGKTRZZTA-UHFFFAOYSA-N 285.318 3.878 30 20 CHED CC(C)(C)n1cc(CSc2ccc(C#N)cc2)cn1 594886533 VURXHDVOBKJQTP-UHFFFAOYSA-N 271.389 3.802 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(NC(C)=O)cc1 595058318 HLZBBFHDZZLANX-CYBMUJFWSA-N 292.448 3.605 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2ccc(C3CC3)cc2)C1 596820792 UBXZNOZJYARCQR-ZDUSSCGKSA-N 283.375 3.722 30 20 CHED N#CC1(CC(=O)N2CCC3(CCC3)CC2)CCCCC1 597645609 SXZNHCWWIQATAL-UHFFFAOYSA-N 274.408 3.643 30 20 CHED CC1(C)CN(C(=O)CC2(C#N)CCCCC2)[C@@H]2CCC[C@@H]21 597699737 POCXZKRJYXJYDU-LSDHHAIUSA-N 288.435 3.888 30 20 CHED CCN(CCc1cccc(C(F)(F)F)c1)C[C@H](C)C#N 600111767 FMQKSPCRPXOEKT-GFCCVEGCSA-N 284.325 3.729 30 20 CHED C[C@H](CCC#N)CN(C)CCOc1cccc(Cl)c1 602435600 ICSOUFLBYGVOMH-CYBMUJFWSA-N 280.799 3.590 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 602508824 BHOSNTGFRNAUCT-ZIAGYGMSSA-N 299.418 3.626 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCc2c(Cl)cccc21 602523537 ZIRRRDJBZLPLJR-XHDPSFHLSA-N 262.784 3.857 30 20 CHED C[C@H]1CCCC[C@@H]1CCN[C@H](C)CC1(C#N)CCOCC1 602550496 JQBUUQRPHPTEAG-GVDBMIGSSA-N 292.467 3.891 30 20 CHED CC[C@@H](CNC[C@H](C)CCC#N)Oc1ccccc1C 602564179 QBRKTEWMGVCUDD-ZBFHGGJFSA-N 274.408 3.682 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(F)cc1Cl 602609326 CFEJKGOIDZPYAA-GWCFXTLKSA-N 268.763 3.692 30 20 CHED CCOc1ccccc1CCNc1nc(C)cc(C)c1C#N 609039132 MEKVNJMQNIGPIL-UHFFFAOYSA-N 295.386 3.623 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)Nc1cccc(C#N)c1 609692965 KTMDPWFJWFQESM-CQSZACIVSA-N 278.355 3.999 30 20 CHED N#Cc1ccccc1SCCOc1ccccc1 610303774 YRCOOHYCSBQCII-UHFFFAOYSA-N 255.342 3.729 30 20 CHED C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)c1ccco1 610976346 SMOBLXGYKYUPKA-DZGCQCFKSA-N 282.343 3.544 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)CCC(C)(C)C 612483636 WPGAPENLAFZMDX-STQMWFEESA-N 252.402 3.503 30 20 CHED CO[C@]1(C)C[C@H](N(C)Cc2ccc(C#N)cc2C)C1(C)C 614402365 VLAXEZLIKYENCA-FUHWJXTLSA-N 286.419 3.502 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](CC(F)(F)F)C(C)C 615005750 HQXVZTZUGBRPDU-AWEZNQCLSA-N 284.325 3.933 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)CCC(C)(F)F 615080707 OVWHKOWCKOJGJI-UHFFFAOYSA-N 297.345 3.645 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)n(CC)c2C)C1 617787082 HDWQLOJPECGSNT-HNNXBMFYSA-N 274.408 3.553 30 20 CHED N#Cc1cccc(Cl)c1NCC1CCC(C#N)CC1 619651650 YRADWZLVLGCJQW-UHFFFAOYSA-N 273.767 3.954 30 20 CHED C=CCC1(N[C@@H](C)c2cnc(C)nc2C)CCCC1 639320246 HOWJUYRKNVZUBU-ZDUSSCGKSA-N 259.397 3.633 30 20 CHED C=CCN(C(=O)c1cnc2n1[C@@H](C)CCC2)c1ccccc1 649571532 NNTHPSYBULMHOX-AWEZNQCLSA-N 295.386 3.613 30 20 CHED C=CCC1(NC(=O)N[C@@H](C2CC2)C(F)(F)F)CCCC1 667103307 ZGMSKLNKRATRBN-NSHDSACASA-N 290.329 3.515 30 20 CHED C=C(CNC(=O)Cc1ccccc1CC)c1ccccc1 672480953 WYGLYLSVJQUYRE-UHFFFAOYSA-N 279.383 3.621 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 674907154 SDZMMSVRABHMCJ-SNVBAGLBSA-N 285.347 3.654 30 20 CHED C=CCCCCNC(=O)Nc1nn(-c2ccccc2)cc1C 681177599 SXFUGOZVTFYYJE-UHFFFAOYSA-N 298.390 3.659 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H]1CCc2ccccc2C1 682381321 VLEUXNDARDABRY-KSSFIOAISA-N 271.404 3.510 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](CCC)c1ccccn1 684894146 HBHQGVOTOGDZEW-UKRRQHHQSA-N 275.396 3.577 30 20 CHED C=CCC1(NC(=O)c2ccc(N)cc2Cl)CCCC1 690806198 QYOAISNEDHAJJI-UHFFFAOYSA-N 278.783 3.541 30 20 CHED C[C@@H]1CCCC(=NNc2nc(-c3ccccc3)no2)C1 726739694 RZCSMFFUPAKNJN-LLVKDONJSA-N 270.336 3.715 30 20 CHED C#CCCOC(=O)c1sccc1-c1ccccc1 727042960 XEKFJIJHMBRDPI-UHFFFAOYSA-N 256.326 3.595 30 20 CHED Fc1cc(C=NNc2ccccc2)cc(F)c1F 727968824 JTUZGHBNMSYCOK-UHFFFAOYSA-N 250.223 3.550 30 20 CHED Cc1ccc(C)c(NC(=S)NN=C2CCC[C@H]2C)c1 729140614 JYRHDDPCBOFGCK-LLVKDONJSA-N 275.421 3.766 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)s1 730590501 OGJFPKWPMVOZKI-PLNGDYQASA-N 278.354 3.712 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(F)cc2C)ccc1O 731320000 TVKCXKFKAFGEGR-CLTKARDFSA-N 286.302 3.744 30 20 CHED COC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 732116537 SUEINHIWEOGGMJ-UHFFFAOYSA-N 298.317 3.779 30 20 CHED C=CCCCSCc1cccc2c1OCCO2 735506428 IBUGUKRQSSHXGB-UHFFFAOYSA-N 250.363 3.657 30 20 CHED CC(=NOCc1ccccc1)c1c(Cl)nc2ccccn12 737429024 LUZLHCNRWCAFSN-UHFFFAOYSA-N 299.761 3.929 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1cccc(O)c1)CO2 737445199 YAMUZURFXSJNGB-ZSOIEALJSA-N 280.323 3.668 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)cc1)c1cccc(OC)c1 741135524 LZCVGTDBSBJXDO-QGZVFWFLSA-N 295.338 3.875 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)c2ccco2)cc1 741682508 ZMMOSPCKRPGRGH-AWEZNQCLSA-N 282.343 3.638 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1cccc(Cl)c1 744071860 WVSWDJUBAWWAAA-LBPRGKRZSA-N 282.767 3.927 30 20 CHED N#Cc1cccc(C(=O)OCCC2CCCCC2)c1 744248797 RRVQNLNFRUSTNS-UHFFFAOYSA-N 257.333 3.685 30 20 CHED C=C(C)CCOC(=O)[C@H]1C[C@]12CCCc1ccccc12 744300446 YEDFSUAYDCUAGV-AEFFLSMTSA-N 270.372 3.790 30 20 CHED C#CCCCNC(=O)/C=C(/CC)c1cccc(Cl)c1 744612443 FEFJLKWVHIKFMR-SEYXRHQNSA-N 275.779 3.663 30 20 CHED CCN(Cc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1C#N 746085533 NCLSYYFXLMNSRT-UHFFFAOYSA-N 295.342 3.801 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1ccc(F)cc1 746377977 WQDPBCXFHSUZMI-CYBMUJFWSA-N 296.345 3.823 30 20 CHED CCOCC(C)=NNc1ccc(C(F)(F)F)cc1 746577349 DVQUPPLLMQEELR-UHFFFAOYSA-N 260.259 3.530 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)N(C)c1ccc(C#N)cc1 749150339 KJTKHOXXXDHCTP-CYBMUJFWSA-N 296.345 3.539 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc(O)c([N+](=O)[O-])c1 749611705 FVZWDSBRDDRATE-UHFFFAOYSA-N 299.330 3.753 30 20 CHED CCCCCCCCCCN1CCn2nc(C)nc2C1 750056852 KOPSOVCZADCAIU-UHFFFAOYSA-N 278.444 3.543 30 20 CHED CCn1c(C)cc(C=NNc2ccc(OC)cc2)c1C 750921401 IUHJSGZBYVUDLR-UHFFFAOYSA-N 271.364 3.579 30 20 CHED CCC(=NNC(=S)NC(C)(C)C)C1CCCCC1 750931400 PRUGWXNDSTXWDH-UHFFFAOYSA-N 269.458 3.595 30 20 CHED C=CCCOC(=O)CCOc1ccccc1C(C)C 751826331 TWDOVJZLLMASCB-UHFFFAOYSA-N 262.349 3.698 30 20 CHED CCCCCCCCCCC(=O)Nc1nnc(C)n1C 753126637 JNZCTMDGRAFVCH-UHFFFAOYSA-N 280.416 3.593 30 20 CHED Cc1ccnc(NN=Cc2ccc(OC(F)F)c(F)c2)c1 754705860 VDWQBZUEEGRXRI-UHFFFAOYSA-N 295.264 3.577 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(CC)CCC#N)cc1 755404098 OZLPTKSRFKZVTK-CYBMUJFWSA-N 258.365 3.576 30 20 CHED CCCCC=Nn1c(S)nnc1-c1ccccc1Cl 755523588 GQYGEDXJLYYLCH-UHFFFAOYSA-N 294.811 3.911 30 20 CHED COc1ccccc1-c1ccc(C(C)=NNC2CC2)cc1 758130661 YMKBFOQHDHZPID-UHFFFAOYSA-N 280.371 3.838 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1cccc([N+](=O)[O-])c1 759069765 BZAHOIWIHIJSKE-PLNGDYQASA-N 294.719 3.601 30 20 CHED CCC[C@H](C(=O)Nc1ncc(C#N)s1)c1ccccc1 759133646 FFSXSXZWDUXQSX-ZDUSSCGKSA-N 285.372 3.537 30 20 CHED C#CCCCC(=O)OCc1c(C)cc(C)c(C(C)=O)c1C 759190962 DJYFBULZRAPBHV-UHFFFAOYSA-N 286.371 3.661 30 20 CHED Fc1ccc(C=NOCc2ccccc2)c2ncccc12 759193710 PIGXLJWWXKSITN-UHFFFAOYSA-N 280.302 3.925 30 20 CHED C=CC[C@H](N[C@@H](C)c1cccc(CO)c1)c1ccncc1 760161703 ZHPADKFWDNFCGD-KSSFIOAISA-N 282.387 3.542 30 20 CHED CC#CCCOC(=O)[C@H](CC)Sc1ccccc1 760284337 OAVCQNFXLYRXMS-AWEZNQCLSA-N 262.374 3.514 30 20 CHED C=CCN(C(=O)[C@H](CC)OC1CCCCC1)C(C)C 760354660 BUXNWDLTYAXXDI-HNNXBMFYSA-N 267.413 3.537 30 20 CHED C#CCOCCN(C)[C@@H](C)c1ccc(Cl)cc1Cl 761107520 FXALOCVAZJDNDU-NSHDSACASA-N 286.202 3.636 30 20 CHED CCC(CC)[C@@H](C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 762019538 VXLHXLIMGGIHJL-OCCSQVGLSA-N 297.402 3.822 30 20 CHED CC(C)(C)c1ccc(C(=O)OCC2(CC#N)CC2)s1 763524008 WEUUINOZJQBPRX-UHFFFAOYSA-N 277.389 3.896 30 20 CHED C#CCN(Cc1csc(CCc2ccccc2)n1)C1CC1 763960733 UKRNQVABSIOELU-UHFFFAOYSA-N 296.439 3.526 30 20 CHED CC(C)[C@H]1CCCCC1=NNC(=S)Nc1cccnc1 764667300 ZCMZCVQGNFWWBJ-CYBMUJFWSA-N 290.436 3.570 30 20 CHED Cc1sc2ncnc(NN=C[C@H](C)CCC#N)c2c1C 765993945 CCOYFWBAIBLIDG-SECBINFHSA-N 287.392 3.646 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1nc(O)c2ccccc2n1 766026385 UXBBRFWQKZNQNN-SNVBAGLBSA-N 284.363 3.559 30 20 CHED CC1(C)OCc2cc(C=NOC3CCCC3)ccc2O1 766027525 UEBDEFRCIULFBU-UHFFFAOYSA-N 275.348 3.625 30 20 CHED COc1cc(OC(=O)[C@@H](C)CC2CCCC2)ccc1C#N 767166022 ACROSUWDHDHJHA-LBPRGKRZSA-N 287.359 3.689 30 20 CHED C#C[C@@H](C)N(C)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 767263535 UMKIUNOSOLBKKE-LSDHHAIUSA-N 271.404 3.784 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1cncc(C)c1 767384975 LCQDJMUTNDCQFP-UHFFFAOYSA-N 279.265 3.643 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](CC)c2ccc(C)cc2)nc1 768140359 OBEYTRTUADYDRK-KRWDZBQOSA-N 279.339 3.679 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H]2CCC[C@H](C)C2)n1 768362757 PVVDUOJQKUFHRR-ONGXEEELSA-N 266.776 3.662 30 20 CHED Cc1cccc(-c2cncc(C(=O)OCCCCC#N)c2)c1 768681730 NTTFACPCBGJWHC-UHFFFAOYSA-N 294.354 3.908 30 20 CHED N#C[C@@H](OC(=O)c1ccoc1Cl)C1CCCCC1 768941442 TWVFOQDXYJBMAV-LLVKDONJSA-N 267.712 3.562 30 20 CHED CC[C@@H]1CCCC(=NNCc2ccc(C#N)cc2)C1 769821543 SKOPTWAFMCXITJ-CYBMUJFWSA-N 255.365 3.604 30 20 CHED Cc1cccc(F)c1NN=Cc1cnc2ccccc2n1 769840792 NYIWHPKDIOTWGC-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C=CCCCCNc1nnc(C)cc1C(F)(F)F 770222414 OBKJVRDVANJFFH-UHFFFAOYSA-N 259.275 3.572 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(F)cn1 770595667 GSXDHTLFURYAKM-UHFFFAOYSA-N 257.312 3.619 30 20 CHED COc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1C 773139664 MNULIVHJWDVWIM-MDWZMJQESA-N 282.314 3.965 30 20 CHED C=C(CC)COC(=O)c1cnc(-c2ccccc2)s1 773495394 RJYMNAFFGNIGGI-UHFFFAOYSA-N 273.357 3.933 30 20 CHED C=CCOc1cccnc1C(=O)O[C@H](C)c1ccccc1 775111497 BQGPRPHYUFRFMP-CYBMUJFWSA-N 283.327 3.564 30 20 CHED C#CC[C@H](NCCCOC(C)(C)C)c1ccccc1 775400673 REPGHUAHONYPKI-INIZCTEOSA-N 259.393 3.546 30 20 CHED Cc1ccc(CC(=O)OCc2ccc(CC#N)cc2)cc1C 776114712 XSAHGKGVWCGNKI-UHFFFAOYSA-N 293.366 3.655 30 20 CHED N#Cc1csc(/C=C/C(=O)c2cccc(F)c2F)c1 776268091 MKAZSZYHQLKJEY-SNAWJCMRSA-N 275.279 3.794 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)Cc1ccccc1CC#N 776927451 SUJGQMCPKNVRLM-HZPDHXFCSA-N 298.430 3.628 30 20 CHED C=CC[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccncc1 777671469 VOYWKYACENTMPM-GOEBONIOSA-N 270.376 3.561 30 20 CHED C=CCN(C)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 779537719 OICNOJWNSFBKRG-KBPBESRZSA-N 266.429 3.666 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C(C)=C(/C)CC 779867871 OKRYCFOKEICWBU-QXMHVHEDSA-N 272.348 3.642 30 20 CHED COc1ccc(NN=C(Cc2ccccc2)C2CC2)nc1 780276182 KMZYJKLCEJQTOH-UHFFFAOYSA-N 281.359 3.511 30 20 CHED Cc1nc2scc(C)n2c1C=NN[C@@H]1CCCC1(C)C 782289331 URQPFEWRENCFKC-CYBMUJFWSA-N 290.436 3.515 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1F 782301932 FVZSEFBSAGWLND-SOFGYWHQSA-N 286.302 3.826 30 20 CHED COc1ccc(CNN=C[C@@H]2CCCC[C@@H]2C)cc1 783832263 FBMLBSPNNGRJBS-ZFWWWQNUSA-N 260.381 3.597 30 20 CHED Cc1ccccc1CC(=O)OCc1ccc(C#N)cc1Cl 784191002 FKOYZARTYAUTQA-UHFFFAOYSA-N 299.757 3.806 30 20 CHED C=CCCCCCOC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 784797870 KFDRKBQVXZDONA-CABCVRRESA-N 280.408 3.917 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1cc2ccccc2o1 785752161 BPHHVMYZWHKKOZ-KRWDZBQOSA-N 286.327 3.761 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(Oc2ccccc2)nc1 787093306 ONCNREZMUUYVDX-AWEZNQCLSA-N 296.326 3.723 30 20 CHED C#CC[C@H](NC(=O)NCc1cscc1C)c1ccccc1 787297542 YJZLRJZKIXQXBU-INIZCTEOSA-N 298.411 3.620 30 20 CHED C#Cc1ccc(CNc2ccc(Cn3cccn3)cc2)cc1 787774598 VACWRUNZBTUKBX-UHFFFAOYSA-N 287.366 3.525 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C1/CC[C@H](C)C1 787943854 CIKIPIRRSAFDDH-BSHRGCEOSA-N 262.397 3.664 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1ccccc1F 789074207 YIDDVTREUJNWMZ-UHFFFAOYSA-N 295.317 3.503 30 20 CHED CC[C@H](C)NN=Cc1cc(Br)c(Cl)s1 790182774 GATCNNOVAAQQGJ-LURJTMIESA-N 295.633 3.886 30 20 CHED C=CCC1(C(=O)OCc2cccc(F)c2F)CCC1 791559155 WBIYZIYTJDCHFJ-UHFFFAOYSA-N 266.287 3.754 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1cnn(C(C)(C)C)c1C 793113277 CNYJPSNBPMXRKK-CYBMUJFWSA-N 278.444 3.695 30 20 CHED C(=NNc1cncnc1)c1ccccc1-c1ccccc1 794978651 PXYJPOBSUDMCIX-UHFFFAOYSA-N 274.327 3.590 30 20 CHED Fc1cccnc1NN=Cc1cccc(C(F)(F)F)c1 794984073 HKTSVMNPWFKJJW-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1ccccc1C)c1ccco1 796762398 UXJYEZNNRJWSKO-DLBZAZTESA-N 285.387 3.919 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H]1CCc2c(Cl)cccc21 797002664 QDGKCNBDVFJKEB-ZFWWWQNUSA-N 277.751 3.810 30 20 CHED CC(C)c1c(Cl)ncnc1NN=Cc1ccccc1C#N 797404824 JEXUEXMILUAHPL-UHFFFAOYSA-N 299.765 3.571 30 20 CHED C=CC[C@@H](CC)NC(=S)NC12CC3CC(CC(C3)C1)C2 798376483 ZNNPNKMNQAGUGZ-UZZMVUAXSA-N 292.492 3.774 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(N(C)C)c(Cl)c1 799213230 QIWZLJXQFITQQP-NSHDSACASA-N 295.814 3.882 30 20 CHED C=CCCC(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 799437879 GIKRHDHAKRGBDZ-CQSZACIVSA-N 260.333 3.798 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1C#N 799562001 MNDKUOGIMLHVRM-GFCCVEGCSA-N 284.384 3.761 30 20 CHED Cc1sc2ncn(N=C[C@@H](C)C(C)(C)C)c(=O)c2c1C 800806265 CEEZVCRAOBTGOB-SECBINFHSA-N 291.420 3.591 30 20 CHED CCCC(CC)=NNc1cccc(F)c1C(=O)OC 800816929 JWQVYCUQUGCYGD-UHFFFAOYSA-N 266.316 3.590 30 20 CHED CC1(C)CC[C@@H]1/N=C\c1cc2ccccc2nc1O 804598918 ROLVCLKYGVEYCZ-XGHPXPSOSA-N 254.333 3.548 30 20 CHED C#CCCCNC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 805159547 ITAASKXHTNSKMS-SFHVURJKSA-N 298.430 3.551 30 20 CHED CC1(C)CC[C@@H]1NC(=S)Nc1ccc(C#N)c(Cl)c1 806588861 DVMGRPXSCUKBCV-LBPRGKRZSA-N 293.823 3.687 30 20 CHED C#C[C@H](NC(=O)c1cccc2c(C)c(C)[nH]c12)C(C)(C)C 807878491 SBLVVHCUXGOKAG-HNNXBMFYSA-N 282.387 3.562 30 20 CHED CC(C)C(=NNc1nccnc1C1CCC1)C1CC1 807994771 YDGOHAINADGEPV-UHFFFAOYSA-N 258.369 3.578 30 20 CHED C#Cc1ccc(CNc2cccc3ccn(C)c23)cc1 809653134 QHWQIHKDRHJITE-UHFFFAOYSA-N 260.340 3.772 30 20 CHED C#Cc1ccc(CN2CCCC[C@@H]2c2nccn2CC)cc1 809659076 GDKHMNJGUKSUSH-GOSISDBHSA-N 293.414 3.612 30 20 CHED C#C[C@H](N[C@H]1CS[C@@H](C(C)(C)C)C1)C(C)(C)C 809781237 KGVGIMPOLHBNJQ-FRRDWIJNSA-N 253.455 3.544 30 20 CHED C=CCCCCCCCN[C@H](C)C1CCOCC1 810243833 VKVDPNZUUUCNEY-OAHLLOKOSA-N 253.430 3.918 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)n1)c1ccccc1Cl 810636397 UCLWOQWULMIFHX-JTQLQIEISA-N 286.718 3.525 30 20 CHED Cc1ccc2oc(C(=O)OC3(CC#N)CCC3)cc2c1 810858529 APWWLHIWWQCABY-UHFFFAOYSA-N 269.300 3.734 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 811461939 RRFIGVOUTQYPON-NSHDSACASA-N 277.795 3.731 30 20 CHED CCC(=NN[C@H](C)COC)C12CC3CC(CC(C3)C1)C2 811646835 NVSJUSYTXYZBEW-JISDDCRVSA-N 278.440 3.593 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNC[C@@H]1CCSC1 811660047 FGLZRAPUYMDWDV-STQMWFEESA-N 274.433 3.549 30 20 CHED Clc1scc(C=NNC[C@H]2CCSC2)c1Cl 811660650 RWIMRCLJMOWFBZ-SSDOTTSWSA-N 295.260 3.732 30 20 CHED CCOc1cccc(/C=C2\Cc3ccc(C#N)cc3C2=O)c1 811693963 NAKCPJRLAUZXAA-LZYBPNLTSA-N 289.334 3.779 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccccc1C#N 812242468 QVLVQDXAYXDKFB-VURMDHGXSA-N 281.286 3.602 30 20 CHED Cc1ccccc1-c1nnc(S)n1N=CCCC(C)C 814750049 DLIGDAGEURBOME-UHFFFAOYSA-N 288.420 3.812 30 20 CHED Fc1ccc(CNN=C2CC[C@H]2C2CCC2)cc1F 814809024 XBRBKQALBGOAQB-LBPRGKRZSA-N 264.319 3.621 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1ccc(Cl)nc1 814859171 OMMDVNZCTQFUEQ-UHFFFAOYSA-N 277.730 3.905 30 20 CHED Cc1sccc1C=NNCc1cnc2ccccc2c1 814877086 PBCKDWJJZAJPRB-UHFFFAOYSA-N 281.384 3.728 30 20 CHED c1ccc([C@H]2CCC(=NOCc3cccnc3)C2)cc1 814883916 HIAYMULRJCKVLY-INIZCTEOSA-N 266.344 3.922 30 20 CHED CCOc1ccc(NN=Cc2cc(C)n(CC)c2C)cc1 814983929 ILNRKLYJLOYILM-UHFFFAOYSA-N 285.391 3.970 30 20 CHED C=CCC(F)(F)C(=O)OCc1csc(-c2ccco2)n1 815313222 ZTJQNIVFLRXDEW-UHFFFAOYSA-N 299.298 3.658 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)/C=C1/CC[C@@H](C)C1 819736167 CZSCEWHNWLUMFI-IORLYMPISA-N 282.387 3.824 30 20 CHED CC(C)C[C@@H](C)OC(=O)N(CCC#N)CC(C)(C)C 820790638 QBALLMVQTVCUEB-CYBMUJFWSA-N 268.401 3.819 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cc(C)cc(Cl)n1 820987259 IXFVVAZJWYCFOC-UHFFFAOYSA-N 267.756 3.689 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(SC(F)F)cc1)C(C)C 821508177 OGLWOQFKFRVHDH-GFCCVEGCSA-N 298.358 3.781 30 20 CHED C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)NCCC#N 825720935 LWCXCZLHLFWSSJ-VIFPVBQESA-N 290.716 3.793 30 20 CHED C#CCCCCCC(=O)Nc1cc(C(=O)O)ccc1Cl 833362054 XCLXGIRHXYSWPU-UHFFFAOYSA-N 293.750 3.560 30 20 CHED COCCCNN=C1CC=C(c2ccc(Cl)cc2)CC1 834976169 IINYPZDFCLKYDA-UHFFFAOYSA-N 292.810 3.889 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1c(F)cccc1Cl 837450655 ACICTLOWRASQTE-JTQLQIEISA-N 281.758 3.706 30 20 CHED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C#CC1CC1 837465663 IAIVJLYAECVPSL-HNNXBMFYSA-N 296.414 3.726 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(C)nn1 839571395 QYUMCAJUMGBRKH-UHFFFAOYSA-N 277.412 3.608 30 20 CHED C#CCCCCCC(=O)Nc1ccc(F)c(F)c1C 839937606 QPICBDVUBHHWOR-UHFFFAOYSA-N 265.303 3.795 30 20 CHED N#CC1(CCOC(=O)c2cccc3c[nH]nc23)CCCCC1 840196991 BTRMUDHVOYTXID-UHFFFAOYSA-N 297.358 3.584 30 20 CHED CS[C@H](C)CC(=O)OCCC1(C#N)CCCCC1 840374939 DGLZDEQKTQZKGP-GFCCVEGCSA-N 269.410 3.535 30 20 CHED Cc1cc(C)cc(NC(=S)NCC(C)(C)CC#N)c1 840846417 WTUYMWTZTLRWLV-UHFFFAOYSA-N 275.421 3.530 30 20 CHED C[C@]1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)C[C@@H]1c1ccccc1 841255809 OESFJSLHWHGOEI-VUNQQRPYSA-N 283.371 3.806 30 20 CHED Cc1cc(/C=C2/CC(C)(C)c3ccccc3C2=O)n(C)n1 841486474 GLESXMBGSZXNPO-RAXLEYEMSA-N 280.371 3.676 30 20 CHED C=C(Cl)CN(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 844328140 ISXFTODTIDZRKZ-AWEZNQCLSA-N 298.883 3.563 30 20 CHED C=C(C)CON=C(C)CSc1ccccc1[N+](=O)[O-] 844618193 LEURXFRLIFGCNX-UHFFFAOYSA-N 280.349 3.656 30 20 CHED C=CCCCCCCCN[C@H](C)c1cncnc1C 848550958 ZXQRUYGSQPGJDK-CQSZACIVSA-N 261.413 3.962 30 20 CHED N#CCOc1cc(F)ccc1NC[C@@H]1CCCCC1(F)F 849314705 FOSSGBCUXYCJGH-NSHDSACASA-N 298.308 3.965 30 20 CHED N#C[C@]1(C(=O)OCCCC2CCC2)CC12CCCC2 849791110 KHVDKTKZUKVTGK-INIZCTEOSA-N 261.365 3.584 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1cc(C(C)=O)cn1C 851141262 HEPFQKDZEXTPPA-BBRMVZONSA-N 289.375 3.519 30 20 CHED C=C[C@@H](OC(=O)CSCC(F)(F)F)c1ccccc1 851452260 QADSAVCPBABTFG-LLVKDONJSA-N 290.306 3.752 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1ccc2c(c1)CCCO2 853010777 MAYFYAIMEUOTDR-VOTSOKGWSA-N 283.327 3.513 30 20 CHED COC1(C(C)=NNc2ncc(Cl)cc2Cl)CCC1 853272224 LOGBBLGCKSZCLB-UHFFFAOYSA-N 288.178 3.745 30 20 CHED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 872133774 SOTLALZUSJBPIS-MDASCCDHSA-N 294.398 3.721 30 20 CHED C=CC(C)(C)CC(=O)NCC1(CCOC)CCCCC1 879542786 INEJHAOVZBVAHP-UHFFFAOYSA-N 281.440 3.692 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnn(CCC)c1C1CC1 880178544 UPRMIHUPXMJYHS-UHFFFAOYSA-N 275.396 3.711 30 20 CHED C=CCCN(OCc1ccccc1)c1cc(C2CC2)ncn1 882236268 FARWEJINQQVMOK-UHFFFAOYSA-N 295.386 3.868 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1Cc2ccccc2[C@H]1CC 890615826 QUMRNAJLADWVKG-AEFFLSMTSA-N 287.403 3.709 30 20 CHED Cc1cc(C(=O)/C=C\c2cnn(C3CCC3)c2)ccc1O 899352896 GAXVCNJTQYOBJW-ALCCZGGFSA-N 282.343 3.518 30 20 CHED O=C(C1CCCC1)N(O)Cc1cc(Cl)cc(Cl)c1 900096051 PICRFIPGJXQXPI-UHFFFAOYSA-N 288.174 3.901 30 20 CHED CC(CC(C)(C)C#N)=NNc1cc(F)ccc1F 901319786 FIIDGICVULRLAK-UHFFFAOYSA-N 251.280 3.692 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cncn1C(C)C)CO2 901463179 HSLKLZOYJHBSLG-AUWJEWJLSA-N 296.370 3.740 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](CCC(=O)O)c1ccccc1 901654229 XKBGOTIDVFUXCG-DZKIICNBSA-N 275.392 3.783 30 20 CHED C=CCC1(CNC2CCC(CC(=O)O)CC2)CCCC1 902269737 QZIXREWNYJTKAM-UHFFFAOYSA-N 279.424 3.746 30 20 CHED C[C@@H](COCc1ccccc1)CSCCO[C@H](C)C#N 902387572 QFPKIAAKCMPYBN-LSDHHAIUSA-N 293.432 3.501 30 20 CHED CC[C@@H](N[C@@H](C)c1cncc(F)c1)c1cccc(C#N)c1 902946829 AHEUVSQJEKRPBL-YVEFUNNKSA-N 283.350 3.894 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccccc1OC(F)(F)F 903031179 JHDXHVFOEQJPEW-LLVKDONJSA-N 298.308 3.930 30 20 CHED N#CC1(CN[C@@H](c2ccccc2)c2ccc(F)cn2)CCC1 903032927 MQZKNHMHGDZBMG-KRWDZBQOSA-N 295.361 3.594 30 20 CHED N#CC1(CCCCN2CCCC[C@H]2CCC(=O)O)CCC1 903702581 YGDJBWRKQDYKKD-HNNXBMFYSA-N 292.423 3.570 30 20 CHED O=C(C1CC(F)(F)C1)N(O)Cc1cccc2ccccc12 904171216 KOMBRBLCIOUEOD-UHFFFAOYSA-N 291.297 3.603 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H]1CCCc2ccccc21 912962229 MMPIEHLANWTXFQ-HYTQYMIGSA-N 295.382 3.940 30 20 CHED CCCCCCCn1nc(-c2ccc(F)cc2)oc1=O 915794353 RJPRHUMPLVDEEA-UHFFFAOYSA-N 278.327 3.613 30 20 CHED COc1ccc(C=NNc2ccc(C#N)cc2)c(Cl)c1 915963341 ZHBMHBJRSGTWGK-UHFFFAOYSA-N 285.734 3.666 30 20 CHED C[C@@H](Cc1ccccc1Cl)/N=C/c1cccc(O)c1O 915980024 WRQOFJNTMLBMTO-HPAYWCODSA-N 289.762 3.801 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1cccc(C)c1 916250395 ZSYVQRCCDQNYAM-UHFFFAOYSA-N 269.304 3.739 30 20 CHED Oc1cccc(C=Nc2ccc(OC(F)F)c(F)c2)c1O 917556825 NRNBXWYTMQCYRP-UHFFFAOYSA-N 297.232 3.589 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)N1CCCc2ccccc21 917953238 WXEJLIINGHJEFW-GFCCVEGCSA-N 295.835 3.840 30 20 CHED C[C@H](CC(=O)OCc1ccccc1C#N)c1ccc(F)cc1 917995329 VAGNUIIIVQDXSO-CYBMUJFWSA-N 297.329 3.934 30 20 CHED CCCCCCCC(=O)N1CCOc2ccccc2C1 918367755 JYILELSPKBDODI-UHFFFAOYSA-N 275.392 3.768 30 20 CHED COc1ccc(O)c(C=Nc2ccc(Cl)cc2F)c1 920942587 LGCKAYUASVSWSG-UHFFFAOYSA-N 279.698 3.944 30 20 CHED CCN(CC)[C@H](CN[C@@H](C)CC(C)(C)C#N)c1ccco1 924856776 YANMXMHUKLNJOY-LSDHHAIUSA-N 291.439 3.580 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 925415846 UYUZLDGWRMZRDP-ZBFHGGJFSA-N 299.418 3.786 30 20 CHED CC(C)CSCCCN[C@@H](C)CC(C)(C)C#N 925635484 VDCJYTVMYBZSDX-ZDUSSCGKSA-N 256.459 3.684 30 20 CHED COCCOc1ccc(F)cc1N[C@H](C)CC(C)(C)C#N 926069947 QLPGJVUJBOHSGE-GFCCVEGCSA-N 294.370 3.591 30 20 CHED Cc1cc(C)cc([C@@H](NCC2(C#N)CC2)c2cccnc2)c1 926873532 GIXHLCJLLHJELN-SFHVURJKSA-N 291.398 3.681 30 20 CHED CCCCCC[C@@H](CC)C(=O)N1CCC[C@H](C#N)C1 928223524 ZBNPMNXZZBKELS-HUUCEWRRSA-N 264.413 3.745 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CCSc2ccccc21 929392085 ZUVRGSGYHCQSBW-OCCSQVGLSA-N 275.417 3.942 30 20 CHED Clc1cccc(C#CCN[C@@H](c2ccccn2)C2CC2)c1 932384158 PTHJVNHUYAOCBR-GOSISDBHSA-N 296.801 3.827 30 20 CHED N#CCc1cccc(N[C@H]2C[C@H](c3ccccc3F)C2)n1 1116903510 MHRCZHXJQHFODK-MQMHXKEQSA-N 281.334 3.645 30 20 CHED CCCCC[C@](C)(CC)C(=O)N(C)[C@@H](C)CC#N 1121188733 IPEIJWPPKRQNMZ-ZFWWWQNUSA-N 252.402 3.744 30 20 CHED Cc1cscc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 1125262883 COLZCIHIKNXYQQ-UHFFFAOYSA-N 287.388 3.737 30 20 CHED N#Cc1ccc(CN2C[C@H]3CCC[C@H]2C3)c(OC(F)F)c1 1198479626 RMHIZPSMLUENDG-JSGCOSHPSA-N 292.329 3.534 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CCC[C@H](OCC)C1 1205347373 NCNHHFIPMRPTDR-GJZGRUSLSA-N 288.391 3.717 30 20 CHED CC[C@@H]1CCC[C@@H](CN2CC(Oc3ccc(C#N)cc3)C2)C1 1206185677 CNJNOFQLOYXVCE-NVXWUHKLSA-N 298.430 3.838 30 20 CHED CC1(F)CCN(Cc2ccc(Cl)cc2C#N)CC1 1232604634 CCCMDOWYELGQQY-UHFFFAOYSA-N 266.747 3.536 30 20 CHED COc1ccccc1C1(N[C@H]2CCC[C@H](C#N)C2)CCC1 1256035831 UEJKHXJSOCRIQC-GJZGRUSLSA-N 284.403 3.746 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1csc(C#N)c1)CCC2 1261253566 IEQABHILGXNQOQ-UHFFFAOYSA-N 282.368 3.521 30 20 CHED N#CCCCCSCc1cnc2ccccc2n1 1261657608 GVNZROGZWNZOPG-UHFFFAOYSA-N 257.362 3.557 30 20 CHED C=CC[C@@H](C(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1263380920 FHJHDANLTYEQKS-HUUCEWRRSA-N 294.329 3.757 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2)C[C@H]1C 1264212413 FYBFYCDMCSEEOT-BZPMIXESSA-N 256.349 3.569 30 20 CHED C[C@@H](OC(=O)[C@H]1CC[C@H](C)CC1)c1ccc(C#N)cc1 1265620374 IFCODTOACDWNRZ-XJKCOSOUSA-N 271.360 3.989 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCNc2ccccc2C)c1 1299292751 MLEGFMIHHVBZOG-UHFFFAOYSA-N 293.370 3.616 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)C(F)F)s1 1307787904 JGBUWFKVKLYUTB-CYBMUJFWSA-N 278.327 3.716 30 20 CHED CCC[C@@H](C(=O)OCc1ccc(C#N)cn1)c1ccccc1 1320777400 SJQWUXOKCMEBMW-QGZVFWFLSA-N 294.354 3.580 30 20 CHED C=C[C@H](C)NC(=O)N1CCC(Cc2ccc(C)cc2)CC1 1325186739 ATKNJEKJNCSVJN-HNNXBMFYSA-N 286.419 3.534 30 20 CHED CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cccc(OCC#N)c1 1326916217 REMQRKIUFHYYBI-KYJSFNMBSA-N 286.419 3.893 30 20 CHED CCc1ccc(C(=O)OCC2(CC#N)CC2)cc1CC 1327912367 SEZQLMRLJDVPMR-UHFFFAOYSA-N 271.360 3.662 30 20 CHED C=C(C)CCC(=O)N(C)c1ccc(Br)cc1 1337437468 XJHJMUZEPZUFMK-UHFFFAOYSA-N 282.181 3.768 30 20 CHED Cc1csc(NC(=O)[C@@H](C)OC2CCCCC2)c1C#N 1343005204 ORLFSDFCMRWRDU-LLVKDONJSA-N 292.404 3.605 30 20 CHED Cc1cccc2c(C(=O)O[C@@H]3CC[C@@H](C#N)C3)coc12 1344672484 QCZNPZQDTBCSOI-VXGBXAGGSA-N 269.300 3.590 30 20 CHED N#CC[C@@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccco1 1347949030 PLVJZXZUOZYJED-DOTOQJQBSA-N 295.338 3.898 30 20 CHED CCOc1cccc([C@H](CC)OC(=O)C(C)(C)C#N)c1 1355122466 BWIFRMYXYJAUDT-AWEZNQCLSA-N 275.348 3.629 30 20 CHED CSc1ccc(Nc2ncc(C#N)cc2F)cc1 1458075104 RSAJLXXDNZASOE-UHFFFAOYSA-N 259.309 3.558 30 20 CHED CCSc1ccc(CNc2ccc(C#N)cn2)cc1 1472864130 CNWJNNRYQXXLHO-UHFFFAOYSA-N 269.373 3.677 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 1529373108 FQXOLKXVIYNRRU-AWEZNQCLSA-N 278.355 3.700 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 1529373109 FQXOLKXVIYNRRU-CQSZACIVSA-N 278.355 3.700 30 20 CHED C=CC[C@H](N[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)O 1588744593 AEVWQTPYBCZZAN-KBPBESRZSA-N 281.783 3.656 30 20 CHED C=CC[C@@H](Nc1ccc([C@H](F)C(F)(F)F)cc1)C(=O)O 1588752368 WQQZJTXQAZWXGQ-MNOVXSKESA-N 291.244 3.701 30 20 CHED C=CCCCOc1c(Cl)cccc1CCC(=O)O 1588803975 QOGNITBOKADAAT-UHFFFAOYSA-N 268.740 3.702 30 20 CHED CC(C)(CC=NNc1ccccc1C(F)(F)F)C(=O)O 1590653947 GNVXZXBUBIRZHJ-UHFFFAOYSA-N 288.269 3.604 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC(C)(C)c1ccc(F)cc1 1616457769 NGZWUXKUARHTNW-UHFFFAOYSA-N 296.345 3.671 30 20 CHED Cc1cccc(CN(CC(C)C)c2cccc(C#N)n2)c1 1642146177 KQJTVAUWTAFZDQ-UHFFFAOYSA-N 279.387 3.924 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)o2)C1 1660682246 XOGKRTYZVVFIBE-ZDUSSCGKSA-N 284.334 3.821 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2ccsc2)c1 1672775275 IXALCMIHZCSANB-LLVKDONJSA-N 285.372 3.811 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(C#N)c(F)c1 1678225657 SYPNYQIQOIBQPK-BZNIZROVSA-N 289.354 3.788 30 20 CHED C=C(Cl)Cn1c(C)nnc1N(C)[C@H](C)c1ccccc1 1722546881 ZPBUXMQVXSSICI-GFCCVEGCSA-N 290.798 3.536 30 20 CHED CC(C[C@@H]1C=CCC1)=NNc1ccc(C(=O)O)cc1 1776013653 JJHIRHFUJSMJGV-GFCCVEGCSA-N 258.321 3.529 30 20 CHED COc1cccc(NN=C(C)c2ccc(C(=O)O)cc2C)c1 1776027812 ITKBFBLZVVVOKE-UHFFFAOYSA-N 298.342 3.538 30 20 CHED CC1CCC(=NNC(=S)N[C@@H]2CCCC[C@@H]2C)CC1 7994256 ALKMHFDZBQGHOV-VBVNFKHJSA-N 281.469 3.595 30 20 CHED N#Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1 10405401 JJQCZEPEMALPQU-UHFFFAOYSA-N 284.746 3.783 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cccc(O)c1 26764470 GARGQUUSTHFRCU-BQYQJAHWSA-N 268.312 3.605 30 20 CHED COc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 37217615 JWXLGUHTRGBUBX-UONOGXRCSA-N 280.371 3.979 30 20 CHED CCCOc1cccc(CNc2ccc(C#N)cc2)c1 37999023 VAEKCEMOKJZRAI-UHFFFAOYSA-N 266.344 3.959 30 20 CHED CCCCc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 41492690 RYAOEMBABOJTGY-INIZCTEOSA-N 278.355 3.914 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2cccc(Cl)c2)nc1 48565701 QMFYWYHPYUILOJ-OAHLLOKOSA-N 283.762 3.948 30 20 CHED Cc1nc(CNc2ccc(C(F)(F)F)cc2C#N)cs1 49534653 KRDNIWVLJSLVDR-UHFFFAOYSA-N 297.305 3.954 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 51628213 UHLHJNZIIKNEQF-KRWDZBQOSA-N 268.335 3.938 30 20 CHED C=CCCC(=O)Nc1nc2ccc(OCC)cc2s1 60364665 QLDBYPBUTMWITK-UHFFFAOYSA-N 276.361 3.600 30 20 CHED CCCN(CC#N)Cc1csc(-c2ccccc2)n1 60565444 BNFBDWJMKSAZGY-UHFFFAOYSA-N 271.389 3.546 30 20 CHED C=C(C)CN(CC)Cc1coc(-c2cccs2)n1 61758720 BVSGSPXJWJXDRC-UHFFFAOYSA-N 262.378 3.801 30 20 CHED C[C@@H](c1ccc2ccccc2c1)N(C)C[C@@H](C)C#N 66470489 OXOZDTLKQLRQCU-KBPBESRZSA-N 252.361 3.992 30 20 CHED C=C(Cl)CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 67227653 ZYEFPIGJSRZDHP-ZDUSSCGKSA-N 290.165 3.605 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCC2)c1 76831470 JREAYBFHYLFFBA-UHFFFAOYSA-N 279.339 3.594 30 20 CHED N#CCN(C(=O)CCC1CCCCC1)C1CCCC1 78003184 LEUZKOYOOVEYLZ-UHFFFAOYSA-N 262.397 3.642 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(CC#N)cc1 78247923 GVFQMHAOPLXRQS-AWEZNQCLSA-N 293.370 3.978 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N(C)[C@@H](C)CC#N)oc12 78420035 JSBXAJSPEHOOCH-LBPRGKRZSA-N 284.359 3.732 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1Nc1ncccc1C#N 80231375 RXWUGYXRVPHTLC-ZBEGNZNMSA-N 281.334 3.828 30 20 CHED C=CCOc1ccc(OC(=O)C2(C#N)CCCCC2)cc1 81324191 RJOJGAHHUKWLSM-UHFFFAOYSA-N 285.343 3.631 30 20 CHED N#Cc1cccc(N[C@H]2CCCc3sccc32)n1 81596094 TXTHJCLVXQXFSQ-LBPRGKRZSA-N 255.346 3.504 30 20 CHED N#Cc1csc(C(=O)N(CC2CC2)C2CCCCC2)c1 84095540 AJSJTEKWURPOOY-UHFFFAOYSA-N 288.416 3.805 30 20 CHED CC[C@@H](C#N)OC(=O)CCCCc1ccc(C)cc1 84709111 DZPWSFDTAKCOST-HNNXBMFYSA-N 259.349 3.553 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(C)n(Cc2ccccc2)c1C 84712740 QUGPCGZDPIMQHT-MRXNPFEDSA-N 296.370 3.612 30 20 CHED N#Cc1ccc(N[C@@H]2CCCOCC2)c(C(F)(F)F)c1 86871159 NAOZCDZYHZUUKF-LLVKDONJSA-N 284.281 3.558 30 20 CHED CC(C)CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191858 UEVHJGRWZQQXHZ-UHFFFAOYSA-N 270.254 3.562 30 20 CHED Cc1ncc([C@H](C)N[C@@H](CCC#N)c2ccccc2)c(C)n1 90664982 SOAZEACXFWOACR-KSSFIOAISA-N 294.402 3.789 30 20 CHED CC(C)CSc1nc(C(F)(F)F)ccc1C#N 94336929 LPGWHUJSFWVQIC-UHFFFAOYSA-N 260.284 3.720 30 20 CHED C[C@H](Sc1cccs1)C(=O)NC1(C#N)CCCCC1 109708171 VXYSIDHKZFKDOS-NSHDSACASA-N 294.445 3.571 30 20 CHED C#CCCCOC(=O)CCc1ccc2ccccc2c1 110524932 UXMHLFZYOSAXIC-UHFFFAOYSA-N 266.340 3.729 30 20 CHED C=CCN(CC=C)Cc1ccc(OCc2ccncc2)cc1 113499936 VNZNBOXGZKABPP-UHFFFAOYSA-N 294.398 3.835 30 20 CHED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)sc1C 116799597 SCRRVODOYKQFRM-BMIGLBTASA-N 276.405 3.567 30 20 CHED Cc1ccc(-c2cncc(C(=O)O[C@H](C#N)C(C)C)c2)cc1 124978462 PACVCAKCVLFFDI-QGZVFWFLSA-N 294.354 3.762 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@H](CC)C1)c1ccccc1 125105338 WRPKCKDONKHQPW-GJZGRUSLSA-N 257.377 3.605 30 20 CHED Cc1nc(-c2ccc3ccccc3c2)n(CCCC#N)n1 128970044 MEXZQNGAEKBGCR-UHFFFAOYSA-N 276.343 3.711 30 20 CHED C=CCSCCN[C@@H]1CCC[C@H](C(F)(F)F)C1 129733569 GPSFVTGJEWBBBN-WDEREUQCSA-N 267.360 3.616 30 20 CHED N#Cc1ccc(NCc2c(F)cccc2N2CCCC2)cc1 132850045 KNIAZCXYNKXRNG-UHFFFAOYSA-N 295.361 3.910 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(Cl)cc1Cl 133409843 WNXJLKIBSPKBDC-UHFFFAOYSA-N 286.162 3.761 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(Oc2cccnn2)c1 135076918 HAXOKROBRPYMBR-QGZVFWFLSA-N 297.358 3.810 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnc2ccccc2c1 135525517 DMQBFIKGXOSBEV-INIZCTEOSA-N 254.333 3.776 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC 136165277 HEUWVBDVFNWERI-AWEZNQCLSA-N 280.755 3.535 30 20 CHED CC(C)(C)c1cccc(OC[C@H](C#N)CCC#N)c1 153088200 OVMINXGEGNSIPY-ZDUSSCGKSA-N 256.349 3.806 30 20 CHED C#CCCCCNC(=O)N1CCCC2(CCCCC2)C1 154997603 HBKPCYKEBXHYCU-UHFFFAOYSA-N 276.424 3.546 30 20 CHED CCCC1(CNC(=O)N(C)Cc2cccc(C#N)c2)CCC1 155324264 MEACEMPNBCJSCR-UHFFFAOYSA-N 299.418 3.670 30 20 CHED C/C=C(\C=C\C(=O)Nc1cc(C#N)ccc1C)CC 155602587 USPCXRQOIPVRJZ-AMZPJNRISA-N 254.333 3.718 30 20 CHED C#CCCCCNC(=O)c1ccc(-c2cccs2)nc1C 155838781 HHSRRQDGOGRWLI-UHFFFAOYSA-N 298.411 3.652 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OCCCC)cc1C 156820509 VOVCZJKUGZYADW-UHFFFAOYSA-N 276.380 3.824 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1SC[C@H](C)C#N 157363997 AFNVSYGWJRXBND-GFCCVEGCSA-N 289.404 3.636 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 170946589 PCSIEVKKLGZUDG-JOYOIKCWSA-N 299.201 3.590 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1cc(F)c(F)c(F)c1 170992734 FHRNUFIDJJYBOV-JTQLQIEISA-N 290.288 3.826 30 20 CHED CCc1ccc(-c2noc(Cc3ccc(C#N)cc3)n2)cc1 172059087 LOFPRHMRTCJDEW-UHFFFAOYSA-N 289.338 3.761 30 20 CHED CC[C@@](C)(NCc1ccc(F)cc1C#N)c1nccs1 173500259 YUBATZYBSTWAJS-OAHLLOKOSA-N 289.379 3.569 30 20 CHED CC(C)Oc1ccccc1CNCC(C)(C)CCC#N 174295241 OUFBTKQQUQBZEM-UHFFFAOYSA-N 274.408 3.893 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 177080003 RJEVMRPYJKPASS-ROUUACIJSA-N 299.414 3.791 30 20 CHED N#Cc1ccnc(SCC#Cc2ccc(Cl)cc2)c1 177475906 KIFCZMFDZDFQAP-UHFFFAOYSA-N 284.771 3.750 30 20 CHED CCCCO[C@H]1C[C@@H](N(C)CCCCC#N)C1(C)C 177736987 BSXXBDHKAGBPCM-CABCVRRESA-N 266.429 3.596 30 20 CHED COC(=O)c1ccc(/C=C2\C(=O)c3cccc(C)c3[C@H]2C)o1 179451691 YHUSRYCMOIEZHY-HOXUKUGESA-N 296.322 3.758 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)c1ccccc1 179733421 LVPDUANUVOYUQI-AWEZNQCLSA-N 292.338 3.562 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@@H]2CCC[C@@H](C)C2)cc1 180044182 IHGAFFKWBOGVNN-HLLBOEOZSA-N 286.419 3.988 30 20 CHED N#CCCCCNC(=O)N[C@H](CC1CCC1)c1ccccc1 180992492 RZZPWJKICSJRSS-QGZVFWFLSA-N 299.418 3.911 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](CC)C1 181390944 VKMLXSDRPDNMPS-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C[C@H](N[C@@H](CCN(C)C)C(C)(C)C)c1cccc(C#N)c1 181763652 ARQXOPVLXQKVPP-YOEHRIQHSA-N 287.451 3.575 30 20 CHED C[C@H](NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1cccc(C#N)c1 182027305 YCPNWPCVOUMQSG-HAEOHBJNSA-N 288.394 3.795 30 20 CHED C[C@H](NCc1ccc(F)c(C#N)c1)[C@H](C)c1ccccc1 183373693 FVGXJJXTNYFUQO-KBPBESRZSA-N 282.362 3.979 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@@H](CC)CC#N)cc1 183966915 DJBQRKCKZJBEBP-BBRMVZONSA-N 272.392 3.551 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1sc2c(c1C#N)CCC2 186587479 RUVFXQQBYKNTEQ-MNOVXSKESA-N 288.416 3.873 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 188429864 CFZXTKQHOWYXRP-OAHLLOKOSA-N 295.766 3.667 30 20 CHED Cc1c(C(=O)/C=C/c2cccs2)cnn1C(C)C 188886421 GJUBBZFIVYAWSK-VOTSOKGWSA-N 260.362 3.730 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H](C)C(C)C 189949644 OABXPCYOXUVCNB-ZDUSSCGKSA-N 252.402 3.599 30 20 CHED CCCCCCCCS(=O)(=O)Cc1c(C)noc1C 190885084 XPBPWIWIYQXCOT-UHFFFAOYSA-N 287.425 3.567 30 20 CHED Cn1cc(CN2CCC[C@@H]2c2ccccc2Cl)cc1C#N 191230028 IFNLERQAOFFPDY-QGZVFWFLSA-N 299.805 3.887 30 20 CHED Cn1cc(CNC2(Cc3ccccc3)CCCC2)cc1C#N 191592984 VYCUJLCKBPQZHC-UHFFFAOYSA-N 293.414 3.542 30 20 CHED CC[C@H](C)CC(=O)Nc1sc2c(c1C#N)CCCC2 191838634 CHIVJNNOUWXKHH-JTQLQIEISA-N 276.405 3.873 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCSc2ccccc21 193127165 ZXYIORMFZGHHHN-CQSZACIVSA-N 288.416 3.607 30 20 CHED N#Cc1c(CNc2cc(F)cc(F)c2)cn2ccccc12 193405668 DUIUUYBXVYGQNE-UHFFFAOYSA-N 283.281 3.701 30 20 CHED Cc1ccc(OC(=O)C2(C#N)CCCCC2)cc1C 194313940 SVJDQQVEPLOOEB-UHFFFAOYSA-N 257.333 3.683 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1c(C)cccc1OC 195025632 ZNXBSFOETAQZMG-CYBMUJFWSA-N 276.380 3.870 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1 211382825 NCTYKMNZMIAVSZ-YHYXMXQVSA-N 287.309 3.927 30 20 CHED N#Cc1ccc(NC/C(Cl)=C\Cl)c(Cl)c1 225233053 SRHAAVBXYWADMN-XBXARRHUSA-N 261.539 3.943 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCc1cccc(OCC#N)c1 226155600 TYRUZYFLXSEXEF-JKIFEVAISA-N 272.392 3.503 30 20 CHED CC1(C)CCN(Cc2ccc(C#N)cc2Cl)CCS1 228087449 NWBYTPUAMYONOD-UHFFFAOYSA-N 294.851 3.929 30 20 CHED CCc1ccc(NCCC(=O)Nc2cccc(C#N)c2)cc1 242800726 FDUPFMHNTABUQI-UHFFFAOYSA-N 293.370 3.561 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 246996262 MVMAAQMDTINXPS-AXFHLTTASA-N 281.758 3.663 30 20 CHED C[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 248380974 RSIYFPSMWWFFJY-ZFZWDLNGSA-N 282.387 3.562 30 20 CHED C[C@@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 251591257 XSIKPIFBZCPDKQ-OSRSDYAFSA-N 254.377 3.645 30 20 CHED N#CCOc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 252404600 CWPNKSOKUOMMAG-IDXRPEPOSA-N 282.387 3.826 30 20 CHED N#CCCN(Cc1ccco1)C(=O)C1CCCCCCC1 265963475 RMBLIDHMBFLYPR-UHFFFAOYSA-N 288.391 3.882 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cnccc1C 269606634 XNVHZBBRKWAZSU-UHFFFAOYSA-N 279.387 3.674 30 20 CHED N#Cc1csc(-c2nc([C@H]3CCCCS3)no2)c1 273967407 KBEAVKYTCAOVFF-SECBINFHSA-N 277.374 3.628 30 20 CHED C[C@@H](OCCCNc1cccnc1C#N)c1ccccc1 274017765 LHJPXTBVGKJDPA-CQSZACIVSA-N 281.359 3.533 30 20 CHED C#CCC1(C(=O)N(C)Cc2ccc(OC)cc2)CCCCC1 276366587 ZQURETIAZGGOBU-UHFFFAOYSA-N 299.414 3.627 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1ccccc1C(F)(F)F 280973055 VNBHYWWWYFEHAX-DGCLKSJQSA-N 284.325 3.918 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)c1ccc(Cl)s1 281380932 NSMCINQAOAYPDV-NXEZZACHSA-N 271.813 3.976 30 20 CHED C=CCC[C@H](NC[C@@H]1CCN(CCC)C1)c1ccco1 286275070 VNJBNIOESXGBKZ-HOTGVXAUSA-N 276.424 3.608 30 20 CHED CCSc1cccc(F)c1NC(=O)N[C@@H](CC)CC#N 290058392 IBGKAKVGBDUMJA-JTQLQIEISA-N 295.383 3.751 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)c1ncccc1C#N 301235440 CVOIKJHMEADEFP-GFCCVEGCSA-N 277.327 3.897 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)O1 301247856 LSPMUXPYZHFMFT-ZWNOBZJWSA-N 298.308 3.581 30 20 CHED N#Cc1nc(N[C@@H]2CCCc3c(O)cccc32)ccc1Cl 302732929 UVLZXXDZQTXCJV-CYBMUJFWSA-N 299.761 3.802 30 20 CHED CCC1(C/N=C(/N)Nc2cc(C)cc(C)c2)CCC1 304837127 GZYTWXDXOVQULF-UHFFFAOYSA-N 259.397 3.610 30 20 CHED Cc1ccc(CN/C(=N/c2ccccc2)NCCCF)cc1 305198184 ZTUQIIYEOUFNGE-UHFFFAOYSA-N 299.393 3.722 30 20 CHED Cc1ccc(C#N)cc1NCc1cccc2c1OCCCO2 315467889 SVEQYRCCGMTTSK-UHFFFAOYSA-N 294.354 3.640 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)c1cccc(C2CCC2)c1 328675521 QWIBOTIBRRITOU-HOTGVXAUSA-N 268.360 3.951 30 20 CHED COc1nn(C)cc1N=C(O)[C@@H]1CCC[C@H]2CCCC[C@H]21 329092481 JWWOZZCDBFXBQE-JHJVBQTASA-N 291.395 3.623 30 20 CHED CCCn1c(N=C(O)C2CCC(=O)CC2)nc2ccccc21 329846009 QOGRJINESYRKJW-UHFFFAOYSA-N 299.374 3.794 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)c2csc(O)n2)c2ccccc21 329981915 OEYYTYZGWSJNIL-SKDRFNHKSA-N 288.372 3.792 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccc(Cl)s1 330479713 MKXSUDBUYJOOFG-HZMBPMFUSA-N 298.839 3.950 30 20 CHED OCCC1(/N=C(/O)Nc2ccc(Cl)cc2)CCCCC1 331050275 ICUIVZABSBOJHH-UHFFFAOYSA-N 296.798 3.751 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2cccc(CC#N)c2)C1 334982652 RHSLNCWMVSUFSH-KRWDZBQOSA-N 285.391 3.797 30 20 CHED C[C@H]1Cc2ccccc2N(C(=O)c2ccc(CC#N)cc2)C1 335703640 DAESCGDCYJPPEY-AWEZNQCLSA-N 290.366 3.592 30 20 CHED C=C1CCN(C(=O)c2cnc(-c3ccsc3)s2)CC1 335811490 POUBHIIEKBYOTD-UHFFFAOYSA-N 290.413 3.664 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCCn3c(cc4ccccc43)C2)C1 335815655 FJNMMUCLTVATBM-GDBMZVCRSA-N 279.387 3.539 30 20 CHED C=CCN(C(=O)c1ccccc1Oc1ccncc1)C1CC1 337798799 GSYVZDFCUNTMBS-UHFFFAOYSA-N 294.354 3.665 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCc2ccccc21 337888533 FRAOJEKBLKRRQH-SFHVURJKSA-N 290.366 3.626 30 20 CHED C=CCCSCCC(=O)Nc1ccc(OCC)cc1 339089663 CRMYDYPMKPXUGQ-UHFFFAOYSA-N 279.405 3.723 30 20 CHED N#Cc1ccccc1C[S@](=O)Cc1ccccc1C1CC1 339153042 UGNULEJECVRCLK-NRFANRHFSA-N 295.407 3.885 30 20 CHED CCSCC[C@H](C)N(C)Cc1cccc(C#N)c1F 340834135 NXDKYBFWDZPJEB-LBPRGKRZSA-N 280.412 3.661 30 20 CHED CC(C)(CCC#N)CNc1c(Cl)cccc1C#N 340935040 HFNKIWOKHJVBPS-UHFFFAOYSA-N 261.756 3.954 30 20 CHED C=CC[C@@H](CC)NCc1nc2ccc(OC)cc2s1 341431742 HITPELWVWXSYQW-LLVKDONJSA-N 276.405 3.749 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCC2(c3ccccc3)CC2)c1 341638687 NXMADABUVSDTII-UHFFFAOYSA-N 293.326 3.610 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccco1 341851381 HGLHKUHAHZTKBJ-NSHDSACASA-N 286.356 3.784 30 20 CHED C=CCCN(C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 342716404 DKEOSVVOAQZSRZ-CYBMUJFWSA-N 271.364 3.614 30 20 CHED Cc1cc(F)cc2c(N3CC[C@@H](C4CC4)C3)c(C#N)cnc12 343425634 LESSSJTWKSHERY-CYBMUJFWSA-N 295.361 3.790 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H](C)CC2)c1C#N 343527731 LFXSSEKCQWZSCT-JTQLQIEISA-N 263.772 3.542 30 20 CHED C=CCC[C@H](NC(=O)N[C@H](C)c1ccon1)c1ccccc1 347823558 UXPNWEZBXMRPHI-CJNGLKHVSA-N 299.374 3.742 30 20 CHED Cc1cccc(NC(=O)NCC(C)(C)CCC#N)c1C 348162661 CSCTYPKFLRRZKM-UHFFFAOYSA-N 273.380 3.755 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[C@H](F)C1 348323175 JLFMLYHKKRWJKY-ZOBUZTSGSA-N 272.367 3.806 30 20 CHED CC(C)(CCC#N)CN1CCC[C@@H]1c1cccnc1 348927289 ZVJRPUOMOZFTIR-OAHLLOKOSA-N 257.381 3.548 30 20 CHED CC(=O)c1cc(NCc2ccc(C#N)cc2)ccc1F 349697103 BRXYOXNFAOSJAE-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C=CCC[C@H](NC(=O)c1ccncc1C)c1ccccc1 350634327 WJSZYMVFAMBQQP-KRWDZBQOSA-N 280.371 3.827 30 20 CHED C=C(C)CCc1noc(C[C@@H](OCC)C2=CCCC2)n1 351599025 AEKCLNAUCZEMQW-CQSZACIVSA-N 276.380 3.636 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccnc(SCC)c1 352507987 FRSHOPWUXMPMED-UHFFFAOYSA-N 278.421 3.526 30 20 CHED CSCc1ccc(C(=O)N(CC#N)c2ccccc2)cc1 353220654 VJDLNDYRQWGMPJ-UHFFFAOYSA-N 296.395 3.720 30 20 CHED N#Cc1ccncc1NCC1(c2ccc(F)cc2)CCC1 354569267 PWYBIVMKLNGQGP-UHFFFAOYSA-N 281.334 3.626 30 20 CHED C=C(C)COCCNC(=O)c1ccc(C2=CCCC2)cc1 354988744 PVYCCGLWDRHBNA-UHFFFAOYSA-N 285.387 3.576 30 20 CHED Cc1ccc([C@@H]2CCN(Cc3cc(C#N)n(C)c3)C2)c(C)c1 355313453 LIJZDFKDMJCHMG-QGZVFWFLSA-N 293.414 3.503 30 20 CHED CC(C)c1nccn1Cc1ccc(C#N)cc1OC(F)F 355456890 GYEFNDCINSFUJH-UHFFFAOYSA-N 291.301 3.528 30 20 CHED N#Cc1cccc(C2(c3nc(C4CCCC4)no3)CC2)c1 355816627 FPZUWADZAHUFIP-UHFFFAOYSA-N 279.343 3.679 30 20 CHED Cc1cnc([C@@H](C)SCCOc2cccc(C#N)c2)o1 356109222 VMRZNFMHMSDNTM-GFCCVEGCSA-N 288.372 3.728 30 20 CHED C=CCC1(C(=O)Nc2ccc3nc(C)[nH]c3c2)CCC1 357665109 QLPSXKNVMVLYCQ-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C=CCC[C@@H](NC(=O)CC1(OC)CCC1)c1ccccc1 358197626 ITBJNAVYBYHNCE-MRXNPFEDSA-N 287.403 3.769 30 20 CHED C=C[C@H](C)N[C@H](CC)c1ccccc1OC(F)F 358308767 ZDWYCDBXTFTISN-CMPLNLGQSA-N 255.308 3.903 30 20 CHED C=C(CC)CSCC(=O)Nc1cccc(C(C)=O)c1 358638106 UVVIDYOTUWWGMY-UHFFFAOYSA-N 277.389 3.527 30 20 CHED Cc1ccc(C#N)cc1OCc1ncc(Cl)s1 358685919 PKJGZIQTAZXEJB-UHFFFAOYSA-N 264.737 3.556 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CCCS1 360658350 SBCMSLOSWHPFCZ-DOTOQJQBSA-N 286.444 3.811 30 20 CHED C=CCOCCCC(=O)NCc1ccc(-c2ccccc2)o1 361460070 QIWAGLOAOMJBOC-UHFFFAOYSA-N 299.370 3.546 30 20 CHED Cc1ccc([C@H](C)N(C)Cc2cc(C#N)n(C)c2)c(C)c1 361508689 ONKBXCAOXHOCMK-HNNXBMFYSA-N 281.403 3.707 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCCCCC#N 362555287 HPYZENOYLWQLLH-GJZGRUSLSA-N 284.403 3.786 30 20 CHED CCO[C@@H](CC(=O)Nc1cc(C#N)ccc1C)C1=CCCC1 362631008 NKPDDHFQSMKDPD-KRWDZBQOSA-N 298.386 3.711 30 20 CHED COCCCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 363578145 ZGGRAVVOWGSZOI-ROUUACIJSA-N 286.419 3.575 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@H](C2CC2)C1)c1ccccc1 364417644 QHIDNYLJWCJNBB-DLBZAZTESA-N 269.388 3.605 30 20 CHED CCC(CC)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 364746951 VYXMWNBCCDUJGJ-IAGOWNOFSA-N 284.403 3.721 30 20 CHED C=CC(C)(C)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 384907582 CMHDKFYDFXQCEG-CQSZACIVSA-N 296.455 3.578 30 20 CHED C=C(C)CCNCc1csc(Br)c1 386794123 APHPEMINNYMUHJ-UHFFFAOYSA-N 260.200 3.566 30 20 CHED COc1cc(CN2CCCC[C@H]2C(C)C)ccc1C#N 395762856 BCRYMFZQEZHBMY-INIZCTEOSA-N 272.392 3.577 30 20 CHED CC[C@H](CNCc1cc(C#N)cs1)CC(F)(F)F 402705395 SOABWJKCPFAMDU-VIFPVBQESA-N 276.327 3.688 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)CC(F)F 412300038 QBUBMIPQKJIVND-ZDUSSCGKSA-N 281.346 3.883 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCO[C@H](C(C)C)C1 414308195 SLWUKLIGXLLZKV-QYZOEREBSA-N 287.447 3.967 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc([C@H](C)C(=O)OC)c1 414492162 VTSGNKVILGTPDE-IHRRRGAJSA-N 275.392 3.976 30 20 CHED C=CCC[C@@H](NC1CCC(N(C)C)CC1)c1ccco1 421892452 ZHGUWQWXECHRED-UYSNPLJNSA-N 276.424 3.749 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(OC)cc1Cl 424306465 VJUSLFHCBFUQQE-LBPRGKRZSA-N 283.799 3.592 30 20 CHED Cc1cccc(C[C@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)c1 424316222 AVBJRAXCBSLBOU-JQHSSLGASA-N 268.404 3.598 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 424722335 XQCFAZWXQUFXMR-UHFFFAOYSA-N 293.357 3.568 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)CCCc1ccc(OC)cc1 424723807 PPDSTJNQXJGHLE-UHFFFAOYSA-N 289.419 3.689 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C 424866091 DXMXNCWAVKMHBK-KGLIPLIRSA-N 251.414 3.728 30 20 CHED CCCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 425081211 CZNQPLBOLIVYJB-LLVKDONJSA-N 298.308 3.746 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 425546432 WCGARKDOXOZYFA-LSDHHAIUSA-N 291.439 3.584 30 20 CHED N#CCN(Cc1ccc2c(c1)CCCC2)C1CCCC1 430238745 IUZWOESJWOCEPR-UHFFFAOYSA-N 268.404 3.834 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)CCC2 430751261 UKYITMNBWQTNOX-ZDUSSCGKSA-N 254.377 3.520 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C1=C(C)CCC1 437669593 SFCMKQCDAVTRGJ-UHFFFAOYSA-N 262.397 3.665 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@]2(C#N)CCC[C@H](C)C2)CC1 438933151 DTHQESRBXVMDGB-QBYUYEEZSA-N 276.424 3.791 30 20 CHED N#C[C@@H]1CC[C@H](NCCSc2ccc(Cl)cc2)C1 442634713 HOCPVCARAYIZTR-YPMHNXCESA-N 280.824 3.714 30 20 CHED Cc1cccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccn2)c1 442833895 VNICBPAKBIVPDU-SUMDDJOVSA-N 291.398 3.761 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)c(F)c2)[C@@H]1C#N 444726009 IAAAKBXHLWXBDR-CQSZACIVSA-N 280.774 3.993 30 20 CHED CC[C@H](NCCOc1ccc(F)cc1)c1ccc(C#N)cc1 447546733 YLARYHGJRYPFEB-SFHVURJKSA-N 298.361 3.817 30 20 CHED N#CCc1cccc(NCc2csc(C3CC3)n2)c1 449689690 KVURQKOQSMGVCO-UHFFFAOYSA-N 269.373 3.699 30 20 CHED C=C(C)CCNC(=O)CCC(=O)c1ccc2ccccc2c1 452718895 AOERIOBHMLWXEC-UHFFFAOYSA-N 295.382 3.885 30 20 CHED C=CC(C)(C)CNC(=O)C1(c2ccccc2C)CCC1 452776564 RGYCEFBCJXLUSO-UHFFFAOYSA-N 271.404 3.745 30 20 CHED CCC1CCC(c2noc([C@@]3(C#N)C[C@H]3C)n2)CC1 453140117 XMVKDVRQFGSIQZ-TVRADYJESA-N 259.353 3.555 30 20 CHED C=C(C)CCN[C@@H](C)c1ncc(Br)s1 453307258 BRUOJXSTVMRLMJ-QMMMGPOBSA-N 275.215 3.522 30 20 CHED C=CCOc1ccc(CNC[C@H]2CC[C@H](C)O2)cc1Cl 453632154 OSSALBXSLPFHEG-GXTWGEPZSA-N 295.810 3.562 30 20 CHED CC(C)[C@H](NC(=O)NCC(C)(C)CC#N)c1ccccc1 457524506 PEDKCNPVRMLJDJ-HNNXBMFYSA-N 287.407 3.623 30 20 CHED C[C@H](NC(=O)NCC(C)(C)CC#N)c1cccc(C2CC2)c1 458898942 GJDVNBZESJKADP-ZDUSSCGKSA-N 299.418 3.864 30 20 CHED C=C(C)CCNC(=O)N1CCCC[C@@H]1c1ccccc1 459001857 NJZSGCHOWNZYBA-MRXNPFEDSA-N 272.392 3.889 30 20 CHED CC#CCCSc1nc(C)c(Cc2ccccc2)[nH]1 462380595 POJZZHBYGJFNJQ-UHFFFAOYSA-N 270.401 3.814 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2ccc(F)cc2Cl)C1 463297092 IUIYJKNQJATEEC-FZMZJTMJSA-N 280.774 3.694 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 464440271 HULMMGSDEWJVRY-HZPDHXFCSA-N 263.425 3.901 30 20 CHED CC#CCCCC(=O)N[C@@]1(C)CCCc2ccccc21 464440644 INQNGZYYXIWGFO-SFHVURJKSA-N 269.388 3.548 30 20 CHED N#Cc1cccc(CCN[C@H]2CCC[C@H](C3CC3)C2)c1 467446342 DNFHVFPOEODKHZ-ROUUACIJSA-N 268.404 3.659 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]1c1cccc(OCC)c1 467957964 JDTDGWQNNGXISW-XYJFISCASA-N 287.403 3.660 30 20 CHED C=CCCCNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 468399129 GOLOUSGNKVWICK-ZIAGYGMSSA-N 297.320 3.891 30 20 CHED C=CCCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1CCC 471696245 GJKFKJISAWVVSB-UHFFFAOYSA-N 290.407 3.564 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 474579491 RBPFEDAOFXOVQY-ZQDZILKHSA-N 261.409 3.674 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(C)CC1 478422358 SBBBKENLNPHIGW-UHFFFAOYSA-N 298.839 3.899 30 20 CHED C=CCCCC(=O)N[C@@H](C)[C@@H](OC)c1ccccc1Cl 479785026 JCUZBCSRPYGKHW-BLLLJJGKSA-N 295.810 3.889 30 20 CHED COc1cc(Cl)ccc1CNc1ccc(F)c(C#N)c1 480143210 TZVMKGLFXPOPJX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C(C)[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccc(F)c(F)c1 480664019 WPCOZDPTLUGHAP-XZJROXQQSA-N 281.346 3.739 30 20 CHED CC(C)(C)c1ccc(CCC(=O)N[C@@]2(C#N)CC2(C)C)cc1 484901474 SRCKAIMNURTSHI-LJQANCHMSA-N 298.430 3.725 30 20 CHED C[C@@H](C#N)CN(C)C(=O)NCC1CCC(C(C)(C)C)CC1 486088296 OWNRAGZOTKFQRS-NFOMZHRRSA-N 293.455 3.640 30 20 CHED C=CCC[C@H](C(=O)NCCc1ccco1)c1ccccc1 487652402 NLHNHFIRFCNVHW-KRWDZBQOSA-N 283.371 3.688 30 20 CHED C=CC[C@@H](C(=O)N1CCC[C@H](C)CC1)c1ccccc1 488363580 GAGXGGRJLAZCMH-DOTOQJQBSA-N 271.404 3.995 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 488581308 UBFXQSYDKWZCOO-MRXNPFEDSA-N 290.382 3.932 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H](CC)Cc1ccccc1 488752731 PDZFNAQCHKAQME-QGZVFWFLSA-N 296.414 3.767 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ccc(F)cc1F 489828503 WYENVZFRCNCEDY-UHFFFAOYSA-N 281.346 3.616 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC2(CCC2)[C@H]1C(C)C 490304284 YFWDOIJMEMJSRT-UONOGXRCSA-N 264.413 3.561 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H]1CSc2ccccc21 495214007 ZHUGOWYPKJYEBB-JSGCOSHPSA-N 288.416 3.584 30 20 CHED CC[C@@H](CC(=O)N(C)CC(C)(C)C#N)c1ccccc1 497410070 UCKZPUDKTRTZGA-AWEZNQCLSA-N 272.392 3.578 30 20 CHED CCN(C[C@H](C)C#N)C(=O)Cc1c(Cl)cccc1Cl 500794190 RVVMFPDBVXOSLH-SNVBAGLBSA-N 299.201 3.544 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)[C@H](C)CC 504576778 CLCGFGPHSKBKPZ-ZIAGYGMSSA-N 263.381 3.519 30 20 CHED C=CCn1c(SCCC(=C)C)nnc1-c1ccco1 505474495 QEMHCXBPGJCBIW-UHFFFAOYSA-N 275.377 3.782 30 20 CHED C=CCCC[C@@H](C)NC1CCN(CCC(F)(F)F)CC1 513485342 QVPNGKBIQYGKPT-CYBMUJFWSA-N 292.389 3.738 30 20 CHED C=CCN(CCOc1cccc(C#N)c1)Cc1ccccc1 515547010 DDDLAIZVAAMGNS-UHFFFAOYSA-N 292.382 3.625 30 20 CHED C=CCCCCSCc1csc(NC(C)=O)n1 517020104 DTQZIDCAMBKNBL-UHFFFAOYSA-N 270.423 3.691 30 20 CHED CCCN(CCC)CCCN[C@H](C)c1ccc(C#N)cc1 519014821 OGOVMEQZSFARAP-MRXNPFEDSA-N 287.451 3.721 30 20 CHED Cc1cc(C)c(C#N)c(NCc2c(F)cccc2Cl)n1 521763824 KIUWNEXUVGCLOP-UHFFFAOYSA-N 289.741 3.975 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1c1ncc(C#N)cc1Cl 523754121 KYVXUXWMPVUGHM-DOMZBBRYSA-N 297.789 3.989 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(C)c1cccc(C#N)c1 525995397 CNGLYQGWDVXWNW-GDBMZVCRSA-N 270.376 3.737 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc3ncccc3c2)no1 528111580 CVPNJYKAMPVQNJ-UHFFFAOYSA-N 292.342 3.866 30 20 CHED CCCN(Cc1ccc(OC)cc1)[C@@H]1CC[C@@H](C#N)C1 528740275 SMHJGBFEWSKYPQ-HZPDHXFCSA-N 272.392 3.599 30 20 CHED N#Cc1cccc(COc2cc(Cl)ccc2F)c1 533813716 YGKDOKDHOCROJQ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=C[C@@H](CC(=O)Nc1nc2c(s1)CCC2)c1ccccc1 536164501 CPJARNXISRDCFL-LBPRGKRZSA-N 298.411 3.930 30 20 CHED C=CCN(C(=O)Nc1cccc2c1CCCC2)C1CC1 538963181 JFMXVCBBPCYWBZ-UHFFFAOYSA-N 270.376 3.748 30 20 CHED C=C(CC)CNC1(c2ccc(F)cc2F)CCC1 539360627 MOSUTRHGDMLVAW-UHFFFAOYSA-N 251.320 3.900 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 540483349 MAPRIEUGGCCADR-KKUMJFAQSA-N 296.455 3.624 30 20 CHED C=CCN(C(=O)N[C@@H]1c2ccccc2CC[C@H]1C)C1CC1 540921562 YYRBNQYHMLTKRT-DYVFJYSZSA-N 284.403 3.670 30 20 CHED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2)s1 545969639 OITCZMHKBRPRHC-OAHLLOKOSA-N 296.395 3.987 30 20 CHED C=CCOCCN(C)[C@@H](C)c1ccccc1Br 549398705 UKPHZSCXQXSVQH-LBPRGKRZSA-N 298.224 3.645 30 20 CHED C=CCC[C@@H](C)N[C@@H](CN(C)C)c1ccc(Cl)cc1 549611713 WPAYLOYXWAMHMO-CJNGLKHVSA-N 280.843 3.887 30 20 CHED Cc1cc(N2CCC[C@@H](C(C)(C)C)C2)cc(C#N)n1 553226286 IKZGRRMFXMHYTG-CYBMUJFWSA-N 257.381 3.524 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC(C)(CC(C)C)CC1 567656834 RWORXAJYGWGCHH-HNNXBMFYSA-N 281.440 3.642 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3c2[nH]c2ccccc32)C1 568076120 RCYZVWADVFORLS-IIYDPXPESA-N 279.387 3.827 30 20 CHED C=CCNc1ccc(CC(=O)N(CC)c2ccccc2)cc1 570553636 CWOQRLORQVFDJZ-UHFFFAOYSA-N 294.398 3.880 30 20 CHED COC1CC(Sc2nc(-c3ccccc3)ccc2C#N)C1 575332095 NXYJFMZJNQTNFX-UHFFFAOYSA-N 296.395 3.890 30 20 CHED N#Cc1cccc(CC(=O)Nc2cccc(F)c2Cl)c1 577322106 HOUHONUEIWOSTL-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C=CCC1(NC(=O)c2ccc3ccncc3n2)CCCCC1 578350021 BNQYZHRIUOMEJJ-UHFFFAOYSA-N 295.386 3.639 30 20 CHED CCCC(CCC)C(=O)NCC(C)(C)CCC#N 579394698 UFKIXHSOJUTSKU-UHFFFAOYSA-N 252.402 3.649 30 20 CHED N#Cc1ncccc1N[C@@H]1CCC[C@H]1c1ccccc1 580373313 PTPFCYQHCHWDDF-LSDHHAIUSA-N 263.344 3.701 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC 583052492 BQQTXXRIBKTAAJ-KBPBESRZSA-N 290.455 3.678 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2cccc(F)c2)cc1 588419366 GZTALJRNFSJEAV-YHYXMXQVSA-N 283.302 3.680 30 20 CHED CCN(CC)c1ccc(/C=N\CC2(SC)CC2)c(O)c1 588610393 BEYFURNSKQIFGO-BOPFTXTBSA-N 292.448 3.553 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ncc(-c2ccccc2)[nH]1 588618349 OLMRJANDHBEQCB-KHPPLWFESA-N 299.333 3.844 30 20 CHED CC(C)O[C@H](CN1CCC[C@@](C)(C#N)C1)c1ccccc1 589990764 BGOVNCONKHWXCV-MSOLQXFVSA-N 286.419 3.778 30 20 CHED C[C@H]1CC2(CCOCC2)CN1CCC1(C#N)CCCCC1 592182460 AWDGAQMFMKIYDQ-INIZCTEOSA-N 290.451 3.742 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](C1CCCCC1)C1CCC1 592697443 WUQRQZZBAVORBW-INIZCTEOSA-N 276.424 3.791 30 20 CHED COc1cccc(-c2ccc(C3(C#N)CCOCC3)cc2)c1 592984647 GFVCOHLWYDXHMW-UHFFFAOYSA-N 293.366 3.934 30 20 CHED N#Cc1cccc(-c2ccc(C[C@@H](O)C3CC3)cc2)c1 592989770 YZYQNKGXGYSSJY-GOSISDBHSA-N 263.340 3.539 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)c1ccc(Cl)cc1 593443903 KTORHOGFPOQMSU-LBPRGKRZSA-N 278.783 3.594 30 20 CHED CC1CCC(N(C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 593953664 PXBNSNNMSIOXAO-SWKXRBFHSA-N 298.430 3.774 30 20 CHED CSCC1(CCN[C@H]2CCc3ccc(C#N)cc32)CC1 595068775 LDNWJHNGKPJVEE-INIZCTEOSA-N 286.444 3.668 30 20 CHED N#CC[C@@H]1CCCN(CC[C@@H]2CCc3ccccc32)C1 595616910 PHSCBNOSMMUMPV-RDJZCZTQSA-N 268.404 3.732 30 20 CHED CCc1nnc(N2Cc3ccccc3[C@H]2C)c(C#N)c1CC 596555868 KNGUJSYHDOBAKD-GFCCVEGCSA-N 292.386 3.554 30 20 CHED C[C@@H](NC(=O)c1ccc(C2CC2)cc1)c1cccc(C#N)c1 597320957 BXHJARJXLHMYJU-CYBMUJFWSA-N 290.366 3.927 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C2C[C@H](C)C[C@@H](C)C2)n1 598858236 KKCJNYAMZMPWCQ-GHMZBOCLSA-N 285.391 3.581 30 20 CHED Cc1ccccc1N(C)C(=O)[C@@H](C#N)CCc1ccccc1 598913916 ZAGCKLMHVHRCMH-QGZVFWFLSA-N 292.382 3.730 30 20 CHED Cc1sccc1NC(=O)NCC(C)(C)CCC#N 603082220 LTVJHMISRARSMF-UHFFFAOYSA-N 265.382 3.508 30 20 CHED C=CCCCCCN(C)C(=O)[C@](C)(OC)c1ccccc1 606815766 BGOXBDOTCJHCPF-GOSISDBHSA-N 289.419 3.753 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 608816408 GEAYSXVPSHQBPZ-AWEZNQCLSA-N 298.317 3.650 30 20 CHED Cn1ccc2c(NC(=O)Nc3ccc(C#N)cc3)cccc21 608887513 IOYORJWPBXRTQV-UHFFFAOYSA-N 290.326 3.694 30 20 CHED CC[C@@H](C)Oc1cc(CNCCCCC#N)ccc1OC 609140466 CCSZYMKSVSSMKS-CQSZACIVSA-N 290.407 3.656 30 20 CHED Cc1cc2occ(CC(=O)NC[C@@H](C)C#N)c2cc1C(C)C 609492085 XZYPIZUDXMEYDJ-LBPRGKRZSA-N 298.386 3.683 30 20 CHED Cc1ccc(CCNc2c(Cl)cccc2C#N)o1 610273239 FEOYNWSJPKASOM-UHFFFAOYSA-N 260.724 3.768 30 20 CHED N#Cc1cccc(Cl)c1NCCOC1CCCC1 610274104 FSTMDEIOGQUOFB-UHFFFAOYSA-N 264.756 3.583 30 20 CHED C[C@@]1(C#N)CCCN(Cc2csc(C3CCCC3)n2)C1 612162580 LFEAYQORAUWBGV-INIZCTEOSA-N 289.448 3.926 30 20 CHED C=CCCNC(=O)CCCc1cccc(C(F)(F)F)c1 617617439 GVUSUSZYCIMVTH-UHFFFAOYSA-N 285.309 3.720 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1sc(C)cc1C 632337852 YPSOVLWAVJAGAN-UHFFFAOYSA-N 289.400 3.829 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C)C1 642012446 YRJXBROKMSIPAW-ZIAGYGMSSA-N 273.376 3.560 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(-c2ccccn2)nc1 649903699 UEDIXZKXCHVICB-AWEZNQCLSA-N 295.386 3.618 30 20 CHED C=C(C)CCNC(=O)NCc1ccc(OC(C)(C)C)cc1 653055344 ZNBBOYOWRPIJOM-UHFFFAOYSA-N 290.407 3.629 30 20 CHED C=CCC[C@@H](N[C@@H](C)Cc1ccccn1)c1ccco1 655834265 NBWVFJKHPPIYIU-GOEBONIOSA-N 270.376 3.903 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(F)c1 663241207 GYCZQWKDSNZGPA-UHFFFAOYSA-N 250.317 3.692 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccccc1COC 665559416 DMLMTYSONYVZIH-UHFFFAOYSA-N 276.380 3.699 30 20 CHED C=CCCC(C)(C)NC[C@H]1CCOc2ccccc21 668778108 IMQMDNUEGWUEGT-CQSZACIVSA-N 259.393 3.887 30 20 CHED C=CCC[C@H](NCCN1Cc2ccccc2C1)c1ccco1 671744250 BFCRZYDAJWKRRI-SFHVURJKSA-N 296.414 3.892 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H](C)C2CCCC2)cc1 671849577 BZFURRBKPRCEGF-AWEZNQCLSA-N 287.403 3.694 30 20 CHED C=CCn1c(S[C@@H](C)C#CCC)nnc1-c1ccco1 677131837 SWHVDJORXNYTGS-LBPRGKRZSA-N 287.388 3.618 30 20 CHED CCOc1ccc(/C=N\CCSC(C)(C)C)c(O)c1 727265760 XKSLYXUFOHULSQ-WJDWOHSUSA-N 281.421 3.742 30 20 CHED COc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1F 727639289 ILBFYECCFBAELB-LLVKDONJSA-N 299.301 3.624 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H](C)CC(C)C)c1 728481440 FZNQCNCESIFRHL-CQSZACIVSA-N 257.377 3.703 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C/c1ccccc1O)CC2 730147842 URFQXNGMAYRQTQ-YCPFAOKUSA-N 251.329 3.807 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1)c1csc(C(=O)O)c1 730148987 RHZMGINKIXKNBF-ZZXKWVIFSA-N 292.743 3.996 30 20 CHED CCC/C=C/C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 735209296 YOACXDOURNFWGB-MUBLQREKSA-N 297.383 3.738 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1ccccc1OCC#N 736033285 KSBOLTMMSUJUEG-VNHYZAJKSA-N 287.359 3.570 30 20 CHED CON=Cc1ccc(C(=O)O[C@H](C)c2cccc(C)c2)cc1 737344265 HIEFUOZBAKUSRU-CQSZACIVSA-N 297.354 3.893 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc3ccccn23)cc(C)c1F 741468313 VLGNTLSEPSBHGE-VOTSOKGWSA-N 294.329 3.986 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)C2CCCCC2)c1 741493907 ULFCANVYOOSMIQ-ZDUSSCGKSA-N 286.444 3.923 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CC[C@@H](SC)C1 743679618 BXMRPFBODJXDSI-UONOGXRCSA-N 284.469 3.658 30 20 CHED C#CCN(C(=O)CCc1ccc(F)cc1)C1CCCCC1 743690035 UKHOQTHGLLKRGB-UHFFFAOYSA-N 287.378 3.553 30 20 CHED C=CCCOC(=O)c1sc2ccc(OC)cc2c1C 744049438 QGPOMWYSSXGHEY-UHFFFAOYSA-N 276.357 3.951 30 20 CHED C=C(C)CCOC(=O)C1(c2cccc(C)c2)CCC1 744303030 LLLDKERSOSDZDO-UHFFFAOYSA-N 258.361 3.926 30 20 CHED CC#CCOC(=O)c1cc2c3ccccc3n(C)c2s1 744452284 OTSPKHBBHSVOQH-UHFFFAOYSA-N 283.352 3.573 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 745233683 IJVSAEHAMGBQKY-RYUDHWBXSA-N 266.287 3.578 30 20 CHED COc1cccc(C(C)=NNc2oc(C(C)C)nc2C#N)c1 745612133 QTYHSZXTJCMDSV-UHFFFAOYSA-N 298.346 3.514 30 20 CHED C=CCCCOC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 746085332 SRZUKGVWLXZUJB-GFCCVEGCSA-N 278.323 3.544 30 20 CHED Oc1ccccc1/C=N\CCc1c[nH]c2cc(F)ccc12 747615404 UTZAABKDAXWFSE-GRSHGNNSSA-N 282.318 3.674 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C/c2cc(OC)ccc2O)C1 749007410 HERFDMXHERSKMW-DRMGDSRLSA-N 293.432 3.884 30 20 CHED Fc1ccc(F)c2c1CCC2=NNc1nc2ccccc2[nH]1 749605045 JAZOXLOANRIPMY-UHFFFAOYSA-N 298.296 3.604 30 20 CHED C/C(=C\C(=O)N(CCC#N)CC(C)C)c1ccc(F)cc1 751373022 DJYVYNOQPSVOLS-SDNWHVSQSA-N 288.366 3.627 30 20 CHED Cc1ccc([C@@H](C)/N=C\c2ccccc2O)cc1[N+](=O)[O-] 751890548 NZUNQAPCIBRQGD-HJPCULJESA-N 284.315 3.789 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1ccncc1 754710049 QCFPPIFEHUPOID-UHFFFAOYSA-N 280.249 3.903 30 20 CHED CCO[C@@H]1CC(=NNc2cc(C)ccn2)C12CCCCC2 755902757 NUNLGFJCVQPTKG-OAHLLOKOSA-N 287.407 3.917 30 20 CHED CC(=NNc1cc(C)ccn1)c1ccc(OC(F)F)cc1 755904205 WRNPTTSSNLHRDS-UHFFFAOYSA-N 291.301 3.828 30 20 CHED CCCCC(CC)=NNc1ccc(C(=O)O)cc1OC 756900961 FOEWUWVZSNXBHE-UHFFFAOYSA-N 278.352 3.762 30 20 CHED C#CC[C@@H](NC(=O)C[C@@H](CC)C(C)C)c1ccccc1 757581986 XEPLGKGNUUSKLY-NVXWUHKLSA-N 271.404 3.940 30 20 CHED C=C[C@@H](CC(=O)Oc1ccccc1)c1ccccc1 758145265 VOPOQDUFVJTMAQ-AWEZNQCLSA-N 252.313 3.952 30 20 CHED CC[C@H]1CCCC1=NNc1cnc2ccccc2n1 758375760 ZEDFXNZCENOQKZ-NSHDSACASA-N 254.337 3.608 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\C1CC=CC1 759643679 ONDVWQOUMKULIX-CHHVJCJISA-N 256.132 3.837 30 20 CHED C#CCOc1ccccc1CNC(=O)C(CC)(CC)CC 760545096 IOCDPWPQWBGRLV-UHFFFAOYSA-N 287.403 3.531 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc(C)cc1 761885367 SKZPDKFHSRFQHG-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C#CCCc1noc(-c2cccc(-c3nc(C)cs3)c2)n1 762010911 DPRQFGBWSLHAPE-UHFFFAOYSA-N 295.367 3.734 30 20 CHED Fc1ccc(F)c(C=NNCc2cnc3ccccc3c2)c1 764779324 RUCZQFSVPYBRKD-UHFFFAOYSA-N 297.308 3.637 30 20 CHED CC(=NOCC(F)(F)F)c1ccccc1Cl 764844952 OBQFJJWQPZINEJ-UHFFFAOYSA-N 251.635 3.643 30 20 CHED C#CCCCSCc1cccc(OC(F)F)c1 766291545 AXXFNENPKDATBA-UHFFFAOYSA-N 256.317 3.935 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@@](C)(O)C1 766771930 MXKQWJNOTHHFCH-NVXWUHKLSA-N 298.471 3.539 30 20 CHED CCON=Cc1ccc(OC)c(OCc2ccccc2)c1 767462397 JQGPLJHVMUFXNS-UHFFFAOYSA-N 285.343 3.645 30 20 CHED Cc1ccc(OCCCC(=O)OCCCC#N)c(Cl)c1 767658818 ZMTBOGSKGGZLED-UHFFFAOYSA-N 295.766 3.654 30 20 CHED CC(C)[C@@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 768316264 BNNJCZGJBMDQAO-YOEHRIQHSA-N 272.392 3.598 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccc(F)c([N+](=O)[O-])c2)C1 769829013 NYMOSFJZYKBION-GHMZBOCLSA-N 279.315 3.958 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 772025848 ABWVESOZPAXKBA-HZPDHXFCSA-N 298.471 3.850 30 20 CHED C=C(CC)CN(Cc1ccccc1)C[C@@H](O)c1ccco1 773424344 JSZPKIWCAQRXRS-QGZVFWFLSA-N 285.387 3.781 30 20 CHED Fc1c(Cl)cccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774595226 ALNTTZVUORDLAS-KWBADKCTSA-N 266.747 3.591 30 20 CHED CCC(Cc1ccc(OC)c(OC)c1)=NOC1CCCC1 774604564 YQNSKHCNMOQMGB-UHFFFAOYSA-N 291.391 3.972 30 20 CHED C#CC[C@H](NC[C@H]1CC1(Cl)Cl)c1ccccc1 775399511 RYHCIAPWDCKXIV-OLZOCXBDSA-N 268.187 3.534 30 20 CHED 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Cc1ccccc1CN(C)C(=O)Nc1ccc(F)c(C#N)c1 102955321 MJBFQOFSGYDPHE-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CCCN(Cc1ccccc1O)Cc1ccc(F)cc1C#N 103142236 LGUUOFDMRBULNP-UHFFFAOYSA-N 298.361 3.815 30 20 CHED C=C(C)CN1CCC(NC(=O)CCCCCCCC)CC1 106037037 GDSGATXTAOTYGP-UHFFFAOYSA-N 294.483 3.894 30 20 CHED C=CC1CCN(C(=O)CCc2ccc(C)cc2C)CC1 110361679 ABPDXDZDQPAMPE-UHFFFAOYSA-N 271.404 3.661 30 20 CHED CCCc1nc(CN(CCC#N)CC(C)(C)C)cs1 114721976 CFMKQZQEOXDHNB-UHFFFAOYSA-N 279.453 3.857 30 20 CHED N#Cc1cccc(NC(=O)c2cc(C3CCCCC3)n[nH]2)c1 122175714 ZMKNIVOXLARHIA-UHFFFAOYSA-N 294.358 3.581 30 20 CHED Cc1occc1-c1nnc(SCCC(C)(C)C#N)o1 123778153 FLWYEEFZDBVQFB-UHFFFAOYSA-N 277.349 3.670 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(-n2ccnc2)c1 124296275 VHWXELJBIRNWMG-UHFFFAOYSA-N 281.359 3.579 30 20 CHED C=CCOc1ccc(CNc2ccc(F)cc2C#N)cc1 126249425 RCYLRWLKKTYZBL-UHFFFAOYSA-N 282.318 3.874 30 20 CHED C=CCC[C@H](O)CNC1(c2ccc(Cl)cc2)CCC1 127167353 FZAXPFBVYRERJR-HNNXBMFYSA-N 279.811 3.636 30 20 CHED O=C(C#Cc1ccccc1)Nc1cccc2ccc(O)cc12 127733836 YEKIVIXJANBWAO-UHFFFAOYSA-N 287.318 3.536 30 20 CHED CCCCCCCSc1nncn1CC(F)(F)F 127761202 KTUYYYCPGANJRD-UHFFFAOYSA-N 281.347 3.903 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC1CCSCC1 128089785 KMTUMPSIMACELB-UHFFFAOYSA-N 295.473 3.796 30 20 CHED C=CCCSc1nnc(NCc2ccccc2)s1 128600528 JAHUSDQTTNYPGF-UHFFFAOYSA-N 277.418 3.818 30 20 CHED Cc1noc(C)c1[C@H](C)CNc1ccc(F)cc1C#N 129494043 ZTNNKYWOOUJXEY-SECBINFHSA-N 273.311 3.518 30 20 CHED CCC1(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 133678754 BHPSQJIOVRDXCH-HNNXBMFYSA-N 285.391 3.521 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 136168793 ZVQFJRYQKGIIBW-GFCCVEGCSA-N 271.147 3.872 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(C#N)c1 148200404 VOPKFJGOKRTSSZ-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CCCCN1CCc2ccc(NCc3ccc(C#N)o3)cc21 152483211 QSIGXGBHXRGWSN-UHFFFAOYSA-N 295.386 3.926 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(N(C)C)cc1 156740066 IUUFOZNJBYTIGZ-UHFFFAOYSA-N 274.408 3.571 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)c1 160141248 REPQHGNNFBFBMF-UONOGXRCSA-N 288.391 3.761 30 20 CHED C=CCN(C)C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 161379141 HVUJBILXGINZPW-KHPPLWFESA-N 283.293 3.753 30 20 CHED C[C@@H]1C[C@H](CC(=O)NCCCCC#N)CC(C)(C)C1 171499282 DRHQFDODIOGQBO-ZIAGYGMSSA-N 264.413 3.649 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 172060160 IOUCPRFJXMZQKV-KBPBESRZSA-N 290.407 3.799 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)NCc1ccc(C#N)cc1 172224052 ODVKXBGASMMINJ-OAHLLOKOSA-N 292.382 3.677 30 20 CHED C#CCCCNC(=O)CSc1ccc(C(C)(C)C)cc1 172938231 PJMYSJMRDWEXQE-UHFFFAOYSA-N 289.444 3.606 30 20 CHED C=CCOCCCC(=O)N1CCc2sccc2[C@@H]1CC 173471124 SHJUXXLHGNNZGD-AWEZNQCLSA-N 293.432 3.567 30 20 CHED CC[C@H](C#N)OC(=O)CCSc1ccc(C)c(C)c1 176021528 PSZRQYDLPLJGCH-CYBMUJFWSA-N 277.389 3.631 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccc(OCC)cc1 177871455 PJVBUNZEENFQLA-LBPRGKRZSA-N 279.405 3.722 30 20 CHED Cc1cccc(-c2cncc(C(=O)OCCCC#N)c2)c1 178217141 UZZLBHCPKZIIFT-UHFFFAOYSA-N 280.327 3.518 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cc3ccccc3s2)C1 178788995 CGDNUUGNSQQZCA-PWSUYJOCSA-N 271.341 3.750 30 20 CHED COCc1cccc(/C=C/C(=O)c2occc2C)c1 178994579 ULDFIJPFPOTJFV-VOTSOKGWSA-N 256.301 3.631 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)Cc2ccccc21 179319393 NLUDZUYNLSURQG-LFYBBSHMSA-N 256.251 3.787 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)CC[C@@H]1C 179524810 VOHMXKZEOAAWIZ-YPMHNXCESA-N 271.364 3.519 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1ccccc1 179674212 CEBRVEIAVNUOCQ-INIZCTEOSA-N 255.361 3.544 30 20 CHED CCC(CC)[C@@H]1C[C@@H](NCC(C)(C)CCC#N)CCO1 180374777 SHQABRSMRQINLP-HOTGVXAUSA-N 280.456 3.890 30 20 CHED C[C@H](NCC(C)(C)N1CCC[C@@H](C)C1)c1cccc(C#N)c1 181557634 UIBRVKSNCGJYKU-CVEARBPZSA-N 299.462 3.719 30 20 CHED COCCC1(CN[C@H](C)c2cccc(C#N)c2)CCCC1 181897878 ZCLNGSPWCQTESZ-OAHLLOKOSA-N 286.419 3.806 30 20 CHED Cc1ccc2c(CC(=O)OCC3(C#N)CCCC3)c[nH]c2c1 183905573 PXHJLSNQURZDEM-UHFFFAOYSA-N 296.370 3.646 30 20 CHED CC[C@H](CC#N)NC(=O)CCCc1ccc2ccccc2c1 183946916 MZYRCPXJTXLHEQ-GOSISDBHSA-N 294.398 3.971 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1CSC 184781873 AVIYISDYASTIBD-UHFFFAOYSA-N 264.394 3.589 30 20 CHED CC#CCCN(C)[C@@H](C)c1nc2ccccc2s1 185060851 SSBCAAVTDMHPFH-LBPRGKRZSA-N 258.390 3.703 30 20 CHED C[C@H](S[C@H](C)c1cnccn1)c1ccc(C#N)cc1 185561340 REOUMZXOQIXWFS-NWDGAFQWSA-N 269.373 3.904 30 20 CHED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)c1cccs1 185831957 FCXMMLCMJKSULQ-STQMWFEESA-N 262.422 3.698 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@]1(C)C(C)C 185860820 IIURBTPRDNPKAC-SUMWQHHRSA-N 286.375 3.578 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C#N)s2)cnn1C(C)(C)C 188870496 SWCHVWASVYKNSS-BQYQJAHWSA-N 299.399 3.776 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCOc3ccccc32)CCC1 190878739 XAXYCMVZCQFWHD-OAHLLOKOSA-N 285.387 3.763 30 20 CHED C#CCCCC(=O)Nc1sccc1C(=O)C(C)(C)C 192323147 KCGYGHCRBVSAPQ-UHFFFAOYSA-N 277.389 3.719 30 20 CHED CCOc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 192952394 YMFACWYPEUBGNP-GDBMZVCRSA-N 272.392 3.566 30 20 CHED Cc1ccccc1N(C)Cc1cccc(C#N)c1F 221982316 XGRLOOWFSPKHFP-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C#CCCCN[C@H](C)c1ccc(OCC(C)C)cc1 224306924 IWZMDMSUSTXXBS-OAHLLOKOSA-N 259.393 3.785 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1cc(C#N)ccc1F 226178694 PQJIBTKGOHNJOO-WQGACYEGSA-N 260.356 3.612 30 20 CHED C[C@@H](CNc1ccc(Cl)cc1C#N)c1nccs1 230610749 HFMLMVPUHIVKQC-VIFPVBQESA-N 277.780 3.884 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CCC[C@@H](C#N)C1 249057401 ZCJIRXHTBIOXNB-DJIMGWMZSA-N 298.430 3.787 30 20 CHED Cc1ncsc1/C=C\C(=O)c1cc(Cl)ccc1O 255419942 DCZFTSWVSWNIGW-PLNGDYQASA-N 279.748 3.707 30 20 CHED CSCCCON=C(C)c1cc2ccccc2o1 255507470 URCOWBFRWOVHCD-UHFFFAOYSA-N 263.362 3.927 30 20 CHED Cc1ccc(/C=C\C(=O)c2occc2C)cc1[N+](=O)[O-] 255509633 RFJYVGQLXWCCKU-WAYWQWQTSA-N 271.272 3.701 30 20 CHED CCOc1ccc(O)c(/C=N\CC[C@@H](OCC)C(C)C)c1 255569177 IKLOTQIHMNONFT-ZCWPUFOUSA-N 293.407 3.661 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3nccn23)cc1C 255718184 AOTXICKQHRXDFS-HJWRWDBZSA-N 276.339 3.847 30 20 CHED O=C(/C=C\c1ccc(F)c(C(F)(F)F)c1)c1cnccn1 255910841 QYZYNBXYHVTOBH-RQOWECAXSA-N 296.223 3.531 30 20 CHED N#CCCCCNCc1cc(-c2ccccc2)ccc1O 264070307 RLJIOTFOXRTURL-UHFFFAOYSA-N 280.371 3.843 30 20 CHED Cc1c(Cl)c(CN(CC#N)C2CC2)nc2ccccc12 264143594 BVCTWDXPWQOIDT-UHFFFAOYSA-N 285.778 3.685 30 20 CHED C#CCCCCNC(=O)c1ccccc1CCC(F)(F)F 270327715 COFJOYAXLHEADS-UHFFFAOYSA-N 297.320 3.715 30 20 CHED C=C[C@H](CC(=O)Nc1c(C)noc1C)c1ccccc1 270330523 HWDWCKJNXAFESJ-CYBMUJFWSA-N 270.332 3.590 30 20 CHED CC[C@H](C#N)Sc1nc2ccc([N+](=O)[O-])cc2s1 275816421 YKXWFACMXSJEKT-MRVPVSSYSA-N 279.346 3.599 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)cc(Cl)c1 276479679 YRUOHOXSDZEFEW-UHFFFAOYSA-N 258.148 3.642 30 20 CHED CCCCCCCCc1nc(-c2ccc(O)nc2)no1 277894537 JTFWGQKWVZZAQT-UHFFFAOYSA-N 275.352 3.740 30 20 CHED C=C(C)[C@H](Cc1nc(-c2cscc2C)no1)OCC 278023753 RONIVDMOQASYEX-LBPRGKRZSA-N 278.377 3.630 30 20 CHED Cc1cc(CN(C)C)cc(N[C@@H]2CCC[C@@H](C#N)C2)c1 278365430 BQTQXCVUAPKVBD-GDBMZVCRSA-N 271.408 3.551 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2cc(C#N)oc2C)C1 280576757 HFUYPHOHFWJMCY-INIZCTEOSA-N 274.364 3.502 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 281679457 ZOPBGAXZKHEBRU-WKILWMFISA-N 272.392 3.540 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ncc(Br)s1 281688638 RXMMHXWBKKSIDN-BDAKNGLRSA-N 289.242 3.911 30 20 CHED N#CCOc1ccc(CNC(C2CCC2)C2CCC2)cc1 283195677 KYAPHIVJEVLVTL-UHFFFAOYSA-N 284.403 3.647 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc(Cc2ccccc2)cs1 285934036 BDQLSMDAWBFGBD-MRXNPFEDSA-N 299.399 3.612 30 20 CHED CC(C)c1scnc1NC(=O)c1cccc(CC#N)c1 288820299 KABQCZYSZCMTPB-UHFFFAOYSA-N 285.372 3.585 30 20 CHED CC#CCCCc1nc(-c2cnc3ccsc3c2)no1 288965296 HMSSSIGNHRLIOI-UHFFFAOYSA-N 283.356 3.692 30 20 CHED C=C(C)CCc1noc(-c2ccccc2OC2CC2)n1 289225918 NNEOPEFUIRGRLM-UHFFFAOYSA-N 270.332 3.787 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc(F)c(NC(N)=O)c1 293577523 BTPBCSJKHZMHME-LLVKDONJSA-N 279.359 3.863 30 20 CHED CC(C)n1ccnc1SCc1cccc(C#N)c1 294480139 WZEZWWDIYZCJLW-UHFFFAOYSA-N 257.362 3.628 30 20 CHED CC(C)(C)c1ccc(CNc2ccc(C#N)cn2)cc1 301094875 MENRNLBIBREGTG-UHFFFAOYSA-N 265.360 3.863 30 20 CHED N#Cc1cc2c(nc1NCc1cc(F)ccc1F)CCCC2 301165045 BWODBNSGVYNZST-UHFFFAOYSA-N 299.324 3.722 30 20 CHED C[C@H]1[C@H](C)CCN1c1ccc(C(F)(F)F)cc1C#N 301624448 FYLWULSOZSANLP-ZJUUUORDSA-N 268.282 3.812 30 20 CHED CC[C@H](Nc1ccc(F)cc1C#N)c1c(C)noc1C 301826613 MYRSXAGRHVXNMG-ZDUSSCGKSA-N 273.311 3.865 30 20 CHED Cc1cccc([C@H](Nc2ccc(C#N)nn2)C(C)(C)C)c1 301977345 WQHDOGWAPXXVGW-INIZCTEOSA-N 280.375 3.856 30 20 CHED C[C@H](CN(C)c1ccc(Cl)cc1C#N)c1nccs1 302179520 RMKHKRYUVIQDAW-SNVBAGLBSA-N 291.807 3.908 30 20 CHED Cc1ccc(F)c(OCc2cn3ccccc3c2C#N)c1 303885799 OXMWSKLCVYPCFP-UHFFFAOYSA-N 280.302 3.838 30 20 CHED Cc1ccc(Cl)c(OC[C@@H](O)c2ccc(C#N)cc2)c1 305348042 VNENVSYNESYIDN-OAHLLOKOSA-N 287.746 3.633 30 20 CHED CC(C)(C)C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 307842477 XZILRSMYROZVKF-CQSZACIVSA-N 274.383 3.955 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cnc2ccccc2c1 318010346 BCNWETPKBWCEQS-UHFFFAOYSA-N 287.366 3.738 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCc2ccccc2C1 318648437 HQMGAZYERVNJDI-KRWDZBQOSA-N 290.366 3.610 30 20 CHED C[C@@H]1CC(=O)CC[C@H]1C(O)=Nc1scnc1C1CC1 329027262 OMEAXLCTYMOWQQ-LDYMZIIASA-N 278.377 3.614 30 20 CHED OC1=NCC[C@H](/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)C1 329335720 LISYUMAKDLXPPR-IHRRRGAJSA-N 278.396 3.526 30 20 CHED OC(=Nc1nc(C2CC2)cs1)c1cccnc1C1CC1 329627840 HBCMWXMTDAVKAG-UHFFFAOYSA-N 285.372 3.929 30 20 CHED N#CC1CCN(C(O)=Nc2cccc(C3CCC3)c2)CC1 329805707 KVCKSXHPQSYYPX-UHFFFAOYSA-N 283.375 3.735 30 20 CHED Cc1[nH]nc(C(F)F)c1N=C(O)c1cccc2c1CCC2 329835929 MHYYPHITXDFSLD-UHFFFAOYSA-N 291.301 3.781 30 20 CHED Cc1nnccc1N=C(O)N1CCCC[C@H]1CCC(C)C 330101139 DYRHGIOVVPZXRS-AWEZNQCLSA-N 290.411 3.621 30 20 CHED CCc1nc(/C(O)=N/[C@@H](C)c2cc(C)oc2C)co1 330832988 KKZWVNZMKJINBP-VIFPVBQESA-N 262.309 3.513 30 20 CHED Cc1cccc2c(C(=O)N3CCCC(C)(C)[C@@H]3C#N)coc12 332020484 QVFVRPULDCUXND-HNNXBMFYSA-N 296.370 3.896 30 20 CHED Cc1cc(NC(=O)c2ccsc2C)c(C#N)cc1N(C)C 334873106 KARVMPBKZSJVNX-UHFFFAOYSA-N 299.399 3.555 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1ccc(F)c(F)c1)CC2 335823633 LFOJLCPEAIGRHG-KRWDZBQOSA-N 284.309 3.614 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)c2ccccc2Cl)oc1C 336555827 CYIDFFHIEBIMTI-CYBMUJFWSA-N 288.734 3.545 30 20 CHED C[C@H]1C[C@@H](CC(=O)N2CCC(C)(C#N)CC2)CC(C)(C)C1 336561394 LHYAJHZEBFNWBB-GJZGRUSLSA-N 290.451 3.991 30 20 CHED CC[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 339048395 VVKUWXIJQZIGRF-KRWDZBQOSA-N 278.355 3.634 30 20 CHED N#Cc1cccc(CNC2(c3cccc(F)c3)CC2)c1F 341854872 HMFRLRSQNQUMFE-UHFFFAOYSA-N 284.309 3.615 30 20 CHED Cc1cc(CNCC(C)(C)CCC#N)cc2cccnc12 342292115 YFTDQCWZHVFSAM-UHFFFAOYSA-N 281.403 3.963 30 20 CHED Cc1ccccc1CN(C(=O)c1ccc(C#N)cc1)C1CC1 346306908 WQIFOGKGMBRKAI-UHFFFAOYSA-N 290.366 3.672 30 20 CHED C=C(CNC(=O)Nc1cccc(OC)c1)c1ccccc1 348149769 ALZYNLNFTUMHJH-UHFFFAOYSA-N 282.343 3.530 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(F)ccc1C 349160630 QSNNMQBFKVRDIA-KRWDZBQOSA-N 296.345 3.887 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@H]2C(F)F)c1 349161506 UDOVKNNGDUQXOZ-ZDUSSCGKSA-N 296.317 3.513 30 20 CHED C=C(CNC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 349902720 KBTFOTBPMGJSEZ-UHFFFAOYSA-N 295.317 3.532 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(F)c2)C1 353551816 WFWRBWLPPANQNF-SMDDNHRTSA-N 289.354 3.740 30 20 CHED C=C(C)[C@@H](NC(=O)c1c[nH]cc1C)c1ccc(F)c(F)c1 355735787 TWUXCTXLRGYENH-OAHLLOKOSA-N 290.313 3.649 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(OCC)c(OCC)c1 358305223 RXAYKAQMZFSGQO-STQMWFEESA-N 263.381 3.709 30 20 CHED CC1CCC(CC(=O)N(C)Cc2cccc(C#N)c2)CC1 359692420 DVNSCRUUBAINLA-UHFFFAOYSA-N 284.403 3.733 30 20 CHED Cc1ccc2cc(C(=O)NCC(C)(C)CCC#N)ccc2n1 359756756 KUHYYEIVMBFNQQ-UHFFFAOYSA-N 295.386 3.603 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cc(C)ccn1 362388395 GQVOSYWYMDLDHU-UHFFFAOYSA-N 284.384 3.920 30 20 CHED C=CCSc1ccccc1C(=O)N(CC)C[C@@H](C)C#N 362839073 GPFVMLQSYOVZCU-ZDUSSCGKSA-N 288.416 3.586 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(CC#Cc2ccc(F)cc2)C1 373579142 CAOKJEHKNOWOPU-KXBFYZLASA-N 294.373 3.655 30 20 CHED C=CCCCCCN1CCOC[C@@H]1c1nc(C)cs1 375736973 UWZLSGZCOSIAFO-CQSZACIVSA-N 280.437 3.571 30 20 CHED C=CC[C@H](CC)Nc1ccc(Br)cn1 379603853 OMLGBPZDRJSWEF-JTQLQIEISA-N 255.159 3.611 30 20 CHED Cc1ccnc(N2CCC(Cc3ccccc3)CC2)c1C#N 388869316 PXJDTHDSAJVXJT-UHFFFAOYSA-N 291.398 3.721 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cnn(-c2ccccc2)c1 393817245 YRTSLRCGQSPTRP-GDBMZVCRSA-N 269.392 3.878 30 20 CHED N#CC1(C(=O)Nc2cccc3ccsc23)CCCC1 395282290 ARFWHZOFRIJWSD-UHFFFAOYSA-N 270.357 3.924 30 20 CHED C[C@@H](C#N)N(C)C(=O)CC1CCC(C(C)(C)C)CC1 410886537 ZXCSHOUUZXDWOH-HSBZDZAISA-N 264.413 3.599 30 20 CHED CCC[C@@H](C)CC(=O)N1CCCc2cc(C#N)ccc21 411001787 NEIGOBLNBFUFGM-CYBMUJFWSA-N 270.376 3.664 30 20 CHED COc1cc([C@@H](C)N[C@H](C)CCC#N)ccc1OC(C)C 411450214 MZEAHNRHGPLBRU-ZIAGYGMSSA-N 290.407 3.825 30 20 CHED CC(C)[C@@H]1N(c2ccc(C#N)cn2)CC12CCCCC2 413442342 QQZLRUPSCDIMAI-INIZCTEOSA-N 269.392 3.748 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCCc2cc(F)ccc21 414172615 WEWNUPUNCFWFJR-OAHLLOKOSA-N 260.356 3.733 30 20 CHED COc1cccc([C@@H]2C[C@H]2CNCc2ccc(C#N)s2)c1 414551380 FPLZCUHVGLIPRP-GUYCJALGSA-N 298.411 3.522 30 20 CHED C=CCC[C@@H](C)N[C@H](CN)c1ccc2ccccc2c1 414935267 FPQBUSGZSXGKML-RDTXWAMCSA-N 268.404 3.784 30 20 CHED C=CCc1ccc(OCCC2CCOCC2)c(OC)c1 418825262 PKYZDHPPEJGQQI-UHFFFAOYSA-N 276.376 3.619 30 20 CHED CCCN(CCC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419615416 QAJNPISHOUWXOR-KRWDZBQOSA-N 299.418 3.767 30 20 CHED CCCCN(CC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419619324 YHWQRAMPBCQBNT-QGZVFWFLSA-N 299.418 3.767 30 20 CHED CCOC1CC(COc2c(C)cc(Cl)cc2C#N)C1 421189506 NNGAXAQQOXREGI-UHFFFAOYSA-N 279.767 3.714 30 20 CHED C=CCC[C@@H](NC[C@]1(C)C[C@H]2CC[C@H]1O2)c1ccco1 424294489 OXSFNFLLRIKJAC-SRABZTEZSA-N 275.392 3.834 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1ccc(Cl)c(C)c1 426243663 LCEHADUGBNLFSK-AWEZNQCLSA-N 292.810 3.899 30 20 CHED CC[C@H](NCc1cccc(F)c1C#N)c1cccs1 428347630 RHXPEVVZWMURAW-AWEZNQCLSA-N 274.364 4.000 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)ccc1OCCC 429123615 QZFGFPQLHUQHEY-UHFFFAOYSA-N 282.771 3.826 30 20 CHED COc1ccc(CNc2ccc(F)c(C#N)c2)c(Cl)c1 432430278 RPECNMREGRXNLR-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCC(CC)[C@@H](C)C(=O)N1CCCC(C)(C)[C@H]1C#N 434037233 PDNNQAZGPGUKAA-TZMCWYRMSA-N 264.413 3.599 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cnc([C@@H](C)CC)nc1 434514007 NTXMSXXOJKHFRU-GXTWGEPZSA-N 288.395 3.563 30 20 CHED CC1=CCCN(c2c(C#N)cnc3c(F)cc(F)cc23)C1 435590108 WTTRPQWWPZZRCE-UHFFFAOYSA-N 285.297 3.541 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](Cc1cccc(C)c1)C1CC1 436310537 RNOLOZBQQGFQOB-UFYCRDLUSA-N 299.458 3.887 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1c(F)ccc(OCC)c1F 439461832 MMEGZOUJNXAHQU-JTQLQIEISA-N 298.333 3.840 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC=C(C(F)(F)F)CC1 442671934 HLALCLIZBJBWQW-NSHDSACASA-N 280.293 3.814 30 20 CHED Cc1cc(COc2cccc([N+](=O)[O-])c2C)ccc1C#N 447287701 LJVWQVXXTVININ-UHFFFAOYSA-N 282.299 3.662 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 448642122 ZYAFOSKSDXBHSF-YDHLFZDLSA-N 275.417 3.699 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OCCC)cc1OC 448684531 MFKFLTORYRCCLE-UHFFFAOYSA-N 291.391 3.522 30 20 CHED C[C@@H](Cc1coc2ccccc12)NCC(C)(C)C#N 449238940 HSMZPYXPTFPFKA-LBPRGKRZSA-N 256.349 3.503 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1Cc2cccc(O)c2C1 449281593 DGTRXXZHAVBECI-HIFRSBDPSA-N 259.393 3.584 30 20 CHED N#Cc1ccc(CNCC[C@H]2CCc3ccccc32)cc1 449377545 OXFSBQRHYCDXDW-GOSISDBHSA-N 276.383 3.768 30 20 CHED C=C(CC)CNCc1csc(-c2ccsc2)n1 449733192 OADSBZSKVJAVLB-UHFFFAOYSA-N 264.419 3.927 30 20 CHED CC1(C)CN(C(=O)[C@@]2(C#N)CC23CCCC3)CC(C)(C)C1 450668491 ZPSQGDPCZQOAGT-SFHVURJKSA-N 288.435 3.745 30 20 CHED C=CCC1(c2nc([C@@H](CCC)OC)no2)CCCC1 453212392 GGPAJGVKRRAYAM-GFCCVEGCSA-N 264.369 3.945 30 20 CHED C=C(C)CCN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C 453314813 IWBXMTZHNPNDKP-CQSZACIVSA-N 284.407 3.501 30 20 CHED C=CCC1(CNC(=O)Nc2ncccc2C)CCCC1 454335757 WUINXIKXUCJQCZ-UHFFFAOYSA-N 273.380 3.648 30 20 CHED C=C(CC)CNC(=O)N1CC=C(c2cccc(C)c2)CC1 455516940 DDCXZNGBLIPGKL-UHFFFAOYSA-N 284.403 3.760 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2cccc(CC#N)c2)C1 455920052 NDNFQHKVMUAJTO-DZGCQCFKSA-N 285.391 3.843 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1)c1ccccc1 456317463 XXXBARRYWHMIJD-DJKXOVBDSA-N 295.426 3.993 30 20 CHED C=CCC1(NC(=O)c2cc(C)n(C(F)F)n2)CCCCC1 456368016 OLSUDTIIDDLJFL-UHFFFAOYSA-N 297.349 3.595 30 20 CHED CC(C)Sc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 459485123 SZNSZODRGAHJPS-HOCLYGCPSA-N 274.433 3.969 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Cl)cc1OC(F)F 460271842 ZXNWXFLXQBSNBW-SSDOTTSWSA-N 290.697 3.637 30 20 CHED CC(C)C[C@@H](CNc1c(Cl)cccc1C#N)N(C)C 462916808 JVSJVMONCQUZNR-ZDUSSCGKSA-N 279.815 3.600 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 464571521 QFPTVVWINZRHKC-LSDHHAIUSA-N 263.425 3.901 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CCCC)C1CCC1 464950829 KMXYDWLXGKZZBY-JSGCOSHPSA-N 252.402 3.609 30 20 CHED C=CC[C@H](CC)NC(=O)N1Cc2ccccc2C[C@@H]1CC 466366391 GZVHUWSILWMOTA-IRXDYDNUSA-N 286.419 3.888 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1ccccc1F)C1CC1 466391485 ZRZJJFHVUJYSGV-AWEZNQCLSA-N 290.382 3.854 30 20 CHED N#Cc1cccc(CCN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 466412645 UTWMCMOHKSOWCF-IEWDOMPSSA-N 280.415 3.515 30 20 CHED C[C@@H]1CCCC[C@H]1CNCCc1cccc(C#N)c1 466421317 DBWDVWNBKYXRAY-PBHICJAKSA-N 256.393 3.517 30 20 CHED C=CCCN(C)C(=O)NC[C@H](CCC)CCCC 466776133 HVHPIMSYHLBERO-CQSZACIVSA-N 254.418 3.810 30 20 CHED CC#CCCCC(=O)Nc1cc(C)nn1CCCCC 466865645 DCSLEJHLLIGJDK-UHFFFAOYSA-N 275.396 3.514 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 467015466 WPNWJPOKFMRQJS-HZPDHXFCSA-N 272.392 3.540 30 20 CHED Cc1ccc(CC[C@H](C)NCc2cccc(C#N)c2)cc1 468363413 UDRIEHMJPCCYKW-INIZCTEOSA-N 278.399 3.978 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCC[C@](C)(CCC)C1 473891469 UFXNFPOONXXCRV-IRXDYDNUSA-N 281.440 3.644 30 20 CHED N#Cc1cccc(NC(=O)C[C@@H]2CCc3ccccc3C2)c1 480236316 MUQNCYVPFWPJNA-CQSZACIVSA-N 290.366 3.692 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(F)cc2C#N)[C@@H]1C 481181465 WDYZAQXLNIMFDF-XHBSWPGZSA-N 260.356 3.612 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 483424264 UJMNLFGSMDOMNU-QGZVFWFLSA-N 284.403 3.563 30 20 CHED CC#CCNC(=O)Nc1ccccc1Oc1cccc(F)c1 483883805 HJVPSWNLEJXDQE-UHFFFAOYSA-N 298.317 3.763 30 20 CHED CCC[C@@H](C(=O)Nc1cccc(C#N)c1C)C(C)C 486398248 LYVWOAPPUVXLLT-CQSZACIVSA-N 258.365 3.878 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1cccc(F)c1 488867098 MSGXZRNGRVRVTM-CZUORRHYSA-N 275.367 3.571 30 20 CHED C=CCC(C)(C)C(=O)NCC1(c2ccncc2)CCCC1 494414726 VXEUWVOHZPBKSA-UHFFFAOYSA-N 286.419 3.612 30 20 CHED C[C@H](NC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C)c1ccc(C#N)cc1 500846107 NVPJUJVEWKWWPY-WVZRYYJFSA-N 299.418 3.743 30 20 CHED CCCC[C@@H](CC)CNC(=O)Cc1c(F)cccc1C#N 505213188 IQICSFWDUDALFI-CYBMUJFWSA-N 290.382 3.572 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H](C(C)C)C1 508871824 GOUAPAJLQWNNAT-CABCVRRESA-N 290.455 3.850 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC2(CCCCC2)C1 508910269 BENBHHPVCUUBFX-UHFFFAOYSA-N 288.439 3.748 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2cccc(C#N)c2C)c1C 509437976 JHXPTBCLZRAJSB-OAHLLOKOSA-N 292.382 3.975 30 20 CHED CC(C)CCOc1ccc(CN(C)C[C@H](C)C#N)cc1 509799400 NVASWUIJIYPTHS-OAHLLOKOSA-N 274.408 3.703 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 514579890 LSWQRJDXVKPDPA-HRCADAONSA-N 278.440 3.953 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCCc1ccccc1Cl 514820863 RLTUXFSRORZXQJ-CYBMUJFWSA-N 292.810 3.671 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(C)Cc1ccc(C#N)cc1 516391812 KLGWWBWXGWHLDI-WMLDXEAASA-N 284.403 3.733 30 20 CHED C=C1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 520493996 XHFNTQIHKGUPIU-UHFFFAOYSA-N 298.411 3.911 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@@H](CC)C2)CC1 524889885 ZPQGWZFJJIVTCW-HUUCEWRRSA-N 264.413 3.563 30 20 CHED CCN(CC#N)CCOc1ccc(Oc2ccccc2)cc1 525120265 IGBHDXLFIZWHQH-UHFFFAOYSA-N 296.370 3.703 30 20 CHED CCc1cnc(CN(Cc2ccc(C#N)cc2)C(C)C)o1 525782039 IFRMWZIUEGKJPS-UHFFFAOYSA-N 283.375 3.519 30 20 CHED CCC(C#N)(CC)c1nc(-c2cc(C)oc2C)no1 528179918 RBAHKVLMDXJCJA-UHFFFAOYSA-N 259.309 3.528 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(Cl)cc(C)c1O 528909342 VHWFLCGKJWYMGK-UHFFFAOYSA-N 280.755 3.623 30 20 CHED CCC1(C(=O)Nc2ccc(COC)c(C#N)c2)CCCC1 529816877 RZBKXBQHJLFGOE-UHFFFAOYSA-N 286.375 3.614 30 20 CHED N#Cc1ccc(N2CCC(OCC3CCCCC3)CC2)cn1 530691873 OVHVQPUEVRUQDJ-UHFFFAOYSA-N 299.418 3.519 30 20 CHED N#Cc1ccc(NCc2c(Cl)cccc2Cl)cn1 530932435 UFAOKXRJMXRCLJ-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCCc1ccccc1 533361876 HYXGLEMTEQQMPP-HNNXBMFYSA-N 289.444 3.551 30 20 CHED CC[C@H]1C[C@@H](C)CN1Cc1cccc(OCCCC#N)c1 537625276 WPJRGNMWHVMUMK-WBVHZDCISA-N 286.419 3.990 30 20 CHED C[C@H](CNc1ncc(C#N)cc1Cl)c1ccccc1 542524248 RCYTYSFPWFIRNK-LLVKDONJSA-N 271.751 3.822 30 20 CHED C[C@](C#N)(NC(=O)c1ccc2c(c1)CCC2)C1CCCCC1 550351919 UCKSFNWGJMFFTB-LJQANCHMSA-N 296.414 3.768 30 20 CHED COCc1ccccc1/C=C(/C)CN(CCC#N)C(C)C 552029603 DZXFVUDVRROEEL-VBKFSLOCSA-N 286.419 3.860 30 20 CHED C[C@@H](N[C@@H]1CSC1(C)C)c1ccc(C#N)cc1Cl 555229148 RFHIJBHTJFOQOP-NOZJJQNGSA-N 280.824 3.756 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccccc1CC#N 559244819 ACZQDBXPALFUAG-KBPBESRZSA-N 296.395 3.865 30 20 CHED C=CCCCCN1CCSC[C@H]1c1nccs1 560221941 PTNCIGJRYLSVRA-LBPRGKRZSA-N 268.451 3.589 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 561281721 UMEGXEBXSOPOGK-UHFFFAOYSA-N 297.402 3.895 30 20 CHED Cc1nsc(NCC2(c3ccncc3)CCCC2)c1C#N 561680869 XSAYYZFKQCGUPH-UHFFFAOYSA-N 298.415 3.642 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1sccc1Cl 564716067 YTPVJQBSXUJJFS-INIZCTEOSA-N 275.826 3.590 30 20 CHED C=CCOc1ccc(CN[C@H]2CS[C@@H](C(C)C)C2)cc1 567399552 IQRWFODTIMRNLB-NVXWUHKLSA-N 291.460 3.871 30 20 CHED CC(C)c1cnc(S[C@@H](C#N)c2ccccc2)n1C 568270805 SNJIGOXWORWTLG-AWEZNQCLSA-N 271.389 3.900 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NC[C@@H](C#N)CCC#N 569213839 GCSMEOMPDJKRTA-GDBMZVCRSA-N 289.810 3.694 30 20 CHED C=CCCCCCN(C)C(=O)CC[C@@H](N)c1ccccc1 572511260 GDZOCZPJKCFCQF-QGZVFWFLSA-N 288.435 3.671 30 20 CHED C[C@H](CCC1CCCCC1)Nc1cc(C#N)ncn1 578301321 FTDUGCQMNJYRNB-GFCCVEGCSA-N 258.369 3.509 30 20 CHED Cc1cc(CN2CCC[C@@H]2c2ccccn2)ccc1C#N 580267860 PNIWXYIERCAGPS-GOSISDBHSA-N 277.371 3.599 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C(C1CCC1)C1CCC1 582449499 FAKJJAXMEMRXCK-QGZVFWFLSA-N 276.424 3.647 30 20 CHED CCC1(CNC(=O)CCCCCC#N)CCCC1 588161306 CDSUAJIWCXSBEB-UHFFFAOYSA-N 250.386 3.547 30 20 CHED C[C@]1(CNC(=O)CCCCCC#N)CCCc2ccccc21 588163217 GAMMAPUTHIQCTA-LJQANCHMSA-N 298.430 3.871 30 20 CHED COc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)ccc1C 588599180 MBKZHZJBJSCQKG-YHYXMXQVSA-N 297.310 3.808 30 20 CHED CCn1cc([C@@H](C)Nc2nc(C(C)(C)C)ccc2C#N)cn1 590730741 XWBQMIFDLOYIRK-GFCCVEGCSA-N 297.406 3.640 30 20 CHED Cc1cc(-c2cccc(OCCN(C)C)c2)ccc1CC#N 592982881 CAMPRIZHDBAZSY-UHFFFAOYSA-N 294.398 3.669 30 20 CHED C[C@@H]1C[C@H](CC(=O)N(C)c2ccc(C#N)nc2)CC(C)(C)C1 593275071 YDFJKAOVWFVRNN-ZIAGYGMSSA-N 299.418 3.769 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 593403467 TUDBURFYAJWXIG-NSHDSACASA-N 294.782 3.863 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 593453906 SAGIJMQTNGJCLR-CHWSQXEVSA-N 290.432 3.914 30 20 CHED C[C@H](CCC#N)N1CCC(=Cc2cccc(F)c2)CC1 593966421 CSHWUTOXUBMPID-CQSZACIVSA-N 272.367 3.997 30 20 CHED CC(C)C1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 594304739 ASIXJLMKOCTCCZ-OAHLLOKOSA-N 298.430 3.631 30 20 CHED C=CCSCCN[C@H](C)c1cc2ccncc2s1 595015333 UCCAJCXKZDLTTH-LLVKDONJSA-N 278.446 3.866 30 20 CHED CC[C@](C)(NCCc1ccc(C#N)cc1)c1nc(C)cs1 595383512 XAVLGOQUAYHHEK-KRWDZBQOSA-N 299.443 3.781 30 20 CHED CCCCCn1cc(CNc2nc(C#N)ccc2C)c(C)n1 596178072 FHAUXWXFVHGDFD-UHFFFAOYSA-N 297.406 3.569 30 20 CHED CC(C)(C#N)CCSCCOCc1ccccc1 596361625 AMERYDZBMVABKZ-UHFFFAOYSA-N 263.406 3.876 30 20 CHED C=CCC1(NC(=O)NCCC2(CSC)CC2)CCCC1 596738347 ALERFHCLJYOZNF-UHFFFAOYSA-N 296.480 3.708 30 20 CHED CCc1cccc2cc(CN(C)[C@H](C)CC#N)oc12 596994482 ATKRLEOJZDHNHX-GFCCVEGCSA-N 256.349 3.729 30 20 CHED N#CC[C@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 597178261 WSAIHBIGYVNROM-MRXNPFEDSA-N 291.398 3.874 30 20 CHED C=CCc1ccccc1OCc1cc(C(=O)OC)c(C)o1 597201738 UBXAGVGVVMHHAJ-UHFFFAOYSA-N 286.327 3.682 30 20 CHED N#CC1(CC(=O)N2CC[C@H](C3CCCC3)C2)CCCCC1 597788830 OZTXVHLPSZFKMT-INIZCTEOSA-N 288.435 3.889 30 20 CHED CC1CC(C#N)(C(=O)N2CCc3ccc(C(C)C)cc3C2)C1 597964436 XNEJCZSFIJKGHE-UHFFFAOYSA-N 296.414 3.635 30 20 CHED CCCC[C@@H](C(=O)NCC(C)(C)CC#N)C(C)C 598739756 LPZMSTDDBFVIIJ-CYBMUJFWSA-N 252.402 3.505 30 20 CHED CCC(C#N)(CC)C(=O)NCCCc1c[nH]c2ccccc12 599381931 GLKKEPHHHOEDSW-UHFFFAOYSA-N 297.402 3.547 30 20 CHED Cc1ccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)cc1C#N 600790402 AKCHQFKTCSMSAE-IFXJQAMLSA-N 292.382 3.583 30 20 CHED C[C@@H](Nc1cc(F)cc(C#N)c1)c1cccc(C#N)c1 600852641 RFWFZKYLCDYJGI-LLVKDONJSA-N 265.291 3.742 30 20 CHED N#Cc1ccccc1SCc1cccc2c1CCOC2 600861325 MPCBSTPMYSXWFY-UHFFFAOYSA-N 281.380 3.923 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCCc4ncccc43)CC2)c1 601273885 OFUKZQVVVBWHBB-GOSISDBHSA-N 289.382 3.610 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@@H](C)c1ccc(C#N)cc1 602444779 PXLMGZPMWZZICA-GJZGRUSLSA-N 269.392 3.881 30 20 CHED CCc1cccc2c1OCC[C@H]2NC[C@H](C)CCC#N 602544298 OCLSMQXAYGKGJI-CZUORRHYSA-N 272.392 3.602 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NCc1cccc(C#N)n1)CC2 602625915 VPEBFNQYFKGGTN-IBGZPJMESA-N 291.398 3.854 30 20 CHED CCCC[C@H](CC)CNC(=O)c1cccc(CC#N)c1 603726527 PALKYKNUJZVUCQ-AWEZNQCLSA-N 272.392 3.699 30 20 CHED CCC(=O)Nc1cccc(CNc2ccc(C#N)cc2)c1 603865951 FMOKHSYVXNSNPV-UHFFFAOYSA-N 279.343 3.519 30 20 CHED CCCN(CCCCC#N)Cc1ccc(OC)cc1 608832696 KRNDQCQPUWSREV-UHFFFAOYSA-N 260.381 3.601 30 20 CHED Cc1ccc2c(Cl)c(C(=O)NC3(C#N)CC3)sc2c1 609990249 CJIUXUVTYOQRQP-UHFFFAOYSA-N 290.775 3.649 30 20 CHED CC[C@H](C)[C@H]1CCCCN1CCOc1ccc(C#N)cc1 610002034 XKTMEUGFQOAONQ-MAUKXSAKSA-N 286.419 3.838 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)N(C)c2ccc(C#N)cc2)C1(C)C 610252689 HXDNLRMREMNBND-JKSUJKDBSA-N 282.387 3.759 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 611142838 QRRQLCUABSKXOL-OTYXRUKQSA-N 299.201 3.905 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1Cc2ccccc21 611391912 DXQDOXOMHUULMU-FXAWDEMLSA-N 288.394 3.865 30 20 CHED CC[C@@H](C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 611466640 DXQAYPSYONOKIO-GFCCVEGCSA-N 295.386 3.950 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 612289971 CKHSFYSJZXOXKH-CQSZACIVSA-N 295.745 3.637 30 20 CHED C=CCN(C(=O)c1ccc2ccccc2c1)[C@@H](C)COC 617574109 SMWVZOXYUMFCKA-AWEZNQCLSA-N 283.371 3.503 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(CC)cc2)C1 617789977 ZCLHPDXQBPDJSD-OAHLLOKOSA-N 257.377 3.677 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 618802440 DOUXIGJCLKDDAX-UGSOOPFHSA-N 262.356 3.896 30 20 CHED C=CCC1(NCC(=O)N(C)c2ccccc2)CCCCC1 625937306 UOCYKHFVGVRFSP-UHFFFAOYSA-N 286.419 3.518 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@@H](C)C1CC1)c1ccccc1 630640788 RPHYOGOWRQERMR-XJKSGUPXSA-N 257.377 3.603 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(Cl)c(C)c1 654299076 WUPKPFRZKPQPGI-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C=CC[C@H]1CCCN(Cc2nc3ccccc3o2)C1 661378818 MUIRETOMQOYHSK-ZDUSSCGKSA-N 256.349 3.616 30 20 CHED C=CCC1(NC(=O)NC[C@H]2CCCC2(F)F)CCCC1 665027827 WORIPVWYRSMGTC-GFCCVEGCSA-N 286.366 3.610 30 20 CHED C=C(C)CN1CCC(NC(=O)CCCC[C@@H](C)CC)CC1 680190064 MHVHXVOYANYBGQ-INIZCTEOSA-N 294.483 3.750 30 20 CHED C=CCCN(C)C(=O)NCCc1ccc(C(C)C)cc1 682415615 MPJPAKNCFCAGLM-UHFFFAOYSA-N 274.408 3.570 30 20 CHED C=CCCOCc1nc(-c2ccc(Cl)s2)no1 683594872 YUBXEYZRJPHRNG-UHFFFAOYSA-N 270.741 3.544 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(-c2cccc(F)c2)no1 684938866 IRZVDMWNVAWJLV-ZDUSSCGKSA-N 288.322 3.565 30 20 CHED C=CCC1(NC(=O)c2cc(N)ccc2Cl)CCCC1 690808196 ZDFZLXZJIUZAQG-UHFFFAOYSA-N 278.783 3.541 30 20 CHED C#C[C@@H](NCc1nc(-c2ccccc2)cs1)C(C)(C)C 702257599 PDOLTQJEGVSIQI-OAHLLOKOSA-N 284.428 3.948 30 20 CHED Cc1c(Br)cncc1NCC(C)(C)CCC#N 722762000 PXPNGCIWJVGLEC-UHFFFAOYSA-N 296.212 3.894 30 20 CHED C#Cc1cccc(N(C)C(=S)Nc2cccc(C)c2)c1 728448242 PBIFZVQZDAFKGK-UHFFFAOYSA-N 280.396 3.810 30 20 CHED CC1(C)Cc2cc(C=NNc3ccc(C#N)cc3)ccc2O1 729142309 PTRJIPGHKDBNLH-UHFFFAOYSA-N 291.354 3.718 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cccc(OCC#N)c1 730151233 IKSDAOWXGRESFN-KTKRTIGZSA-N 277.323 3.794 30 20 CHED Cc1ccsc1/C=C1\COc2ccc(F)cc2C1=O 731565140 GGWDMQBTJZXWDL-UXBLZVDNSA-N 274.316 3.854 30 20 CHED C=CC1CCN(C(=O)/C=C\Sc2ccccc2)CC1 732003342 WGVMQAJOOKVSJJ-RAXLEYEMSA-N 273.401 3.717 30 20 CHED CCCCCCCC(=O)NCCc1cccc(F)c1F 732743011 NLWUPDWUWCWNLB-UHFFFAOYSA-N 283.362 3.984 30 20 CHED CCC(=NNc1cnnc2ccccc12)c1ccccc1 733748473 ZGMVBRSLVOGFLH-UHFFFAOYSA-N 276.343 3.856 30 20 CHED C=CC[C@H](NC(=O)N1CCC(CC)CC1)c1ccncc1 734677908 ATQZZYUSDSBYLF-INIZCTEOSA-N 287.407 3.530 30 20 CHED CCCCCCCCCN(C)C(=O)C1(C#N)CCC1 736007232 UNPXYWPVFNEEGN-UHFFFAOYSA-N 264.413 3.889 30 20 CHED Oc1ccccc1/C=N\[C@@H](Cc1ccccc1)C1CC1 736430635 CADMTZUZUWRSDY-NFBGKYEXSA-N 265.356 3.832 30 20 CHED S=C(NN=C1CCC[C@@H](C2CC2)C1)Nc1ccccc1 737417563 MDUQHPNLFMPQCM-CYBMUJFWSA-N 287.432 3.929 30 20 CHED N#Cc1cccc(NN=Cc2nccc3ccccc23)c1 740760622 HGVUFGIHRYCBPG-UHFFFAOYSA-N 272.311 3.552 30 20 CHED CCC(CC)NN=C(C)c1c(Cl)nc2sccn12 741842459 JOJSTIYLIVLVPN-UHFFFAOYSA-N 284.816 3.551 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1 742437517 VELSIMQFIXOLKJ-VMPITWQZSA-N 264.324 3.921 30 20 CHED C#CCCCNC(=O)[C@@](C)(CC)CCCCCC 742786176 LHOHPTSXYMHKTJ-INIZCTEOSA-N 251.414 3.903 30 20 CHED C/C(=C/C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 743775461 MUFPMGJCUOXMMX-QKXCFHHRSA-N 290.366 3.839 30 20 CHED C=CCCN(CC)Cc1cc(Br)ccc1O 743874134 SVPZMWBUDYWDRY-UHFFFAOYSA-N 284.197 3.553 30 20 CHED N#CCc1cccc(C(=O)OCCC2CCCCC2)c1 744248542 NKPSLDWMRQVHNL-UHFFFAOYSA-N 271.360 3.880 30 20 CHED CC(=NN=C1CC[C@H]2CCCC[C@@H]2C1)c1cnccn1 745204097 RZNBBHUWHVCHHZ-ZIAGYGMSSA-N 270.380 3.632 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=CC2CCCCC2)o1 746498037 QRZWBUMUMKROOI-UHFFFAOYSA-N 274.368 3.822 30 20 CHED FC(F)(F)Oc1cccc(C=NOCc2cccnc2)c1 746588985 WRDIMORNKYDILZ-UHFFFAOYSA-N 296.248 3.531 30 20 CHED C[C@@H]1OCC[C@H]1NCc1cccc(-c2ccc(C#N)s2)c1 747869618 MKHVAEBMLGYHGB-BLLLJJGKSA-N 298.411 3.554 30 20 CHED Cc1cc(CNC2(c3cccc(C#N)c3)CC2)cnc1Cl 747925110 YDSYKHDOVCFIDA-UHFFFAOYSA-N 297.789 3.694 30 20 CHED COc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(C)c1 748680331 CJPLJXFJTNGBRT-CYBMUJFWSA-N 295.338 3.793 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)Cc2c(F)cc(F)cc21 751534015 AJTFCMNRDWRMHW-WUXMJOGZSA-N 298.288 3.722 30 20 CHED C#CCCOc1ccc(CNc2ncccc2CC)cc1 752102284 ZTYMXJJGMXJNPB-UHFFFAOYSA-N 280.371 3.658 30 20 CHED CC(C)(C)CC(=O)OCc1ccc(C#N)cc1OC(F)F 752531667 KWFCFMIJDDCVDH-UHFFFAOYSA-N 297.301 3.639 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc(F)cc2)co1 752883082 AUPZWDVUEMGQRM-VMPITWQZSA-N 259.280 3.833 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)OCCCC#N 753560912 JSCGDKLLPUVLDL-KGLIPLIRSA-N 271.360 3.823 30 20 CHED C#C[C@H](CC)NC(=O)c1ccccc1Oc1ccccc1 754389664 GHLNPCPQXUTLFS-CQSZACIVSA-N 279.339 3.621 30 20 CHED CCCC(CCC)=NNc1ccc(C(F)(F)F)nn1 754709747 BOMUBQRPQACQFL-UHFFFAOYSA-N 274.290 3.864 30 20 CHED N#CCc1ccc(OC[C@@H](O)c2cccc(Cl)c2)cc1 755315072 FJFYYRCGOMSKIJ-MRXNPFEDSA-N 287.746 3.518 30 20 CHED Cc1ccc(NN=CCCc2c(F)cccc2Cl)nn1 755700296 UHZVEYPHMKACPD-UHFFFAOYSA-N 292.745 3.608 30 20 CHED CCC[C@@H](C#N)NC(=O)/C(C)=C\c1ccccc1Cl 755823752 ZUWCYKDNKFVTQV-FUWURINLSA-N 276.767 3.552 30 20 CHED C#CC[C@H](NC(=O)N(C1CCCC1)C1CC1)c1ccccc1 757779560 XLHVJNBMCAJGQI-SFHVURJKSA-N 296.414 3.868 30 20 CHED C#CCCCC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 758498810 WPDNHLOWFWJUGC-QZTJIDSGSA-N 283.415 3.893 30 20 CHED FC(F)CON=C1CCCc2ccc(Cl)cc21 758904868 UFDHVPUPSUUPPW-UHFFFAOYSA-N 259.683 3.662 30 20 CHED C[C@H](C(=O)OCc1ccc(F)c(C#N)c1)C1CCCC1 758956680 MXZAHYQBECXBBI-NSHDSACASA-N 275.323 3.567 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2nc(Cl)cs2)cc1 759074445 DMGFWSYNINBICF-FPLPWBNLSA-N 292.791 3.759 30 20 CHED Fc1ccc2nc(C=Nn3cnc4ccccc43)sc2c1 761784184 AJADPYFBYGVEPP-UHFFFAOYSA-N 296.330 3.667 30 20 CHED CCOCCON=Cc1ccc(F)c(Cl)c1Cl 761827872 XEFFBLOPQSIRIA-UHFFFAOYSA-N 280.126 3.520 30 20 CHED CC(=NNC1CCCC1)c1ccc(F)cc1Br 763172285 KGHUESIYRWCLBG-UHFFFAOYSA-N 299.187 3.844 30 20 CHED C#CCCCN(C)Cc1c(CC)oc2ccccc12 766896358 MOSJQBNGPRVLKJ-UHFFFAOYSA-N 255.361 3.840 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1ccc(F)cc1F 767649080 IJJUEBGOWRKAKA-SNVBAGLBSA-N 266.287 3.619 30 20 CHED O=C1/C(=C/c2cncs2)Cc2c(Cl)cccc21 767729193 NRFAKPDVDMHWSH-XBXARRHUSA-N 261.733 3.619 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2sccc2C)cc1 767730976 SZAGLZIHWKMEOD-FPLPWBNLSA-N 286.352 3.739 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1CCC1CCCC1 767951026 IUSUBOPLOYUMFI-AWEZNQCLSA-N 284.831 3.883 30 20 CHED C#CCOc1ccccc1CN(Cc1ccccn1)C(C)C 768925356 GKTGBCNTGSAWCV-UHFFFAOYSA-N 294.398 3.504 30 20 CHED C#CCN(C(=O)N[C@H]1CCC(C)(C)C1)C1CCCCC1 769019138 APZOXNCAXBVXOC-AWEZNQCLSA-N 276.424 3.543 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)ccc1F 770573565 ZTBROVNVUUMFQT-QHHAFSJGSA-N 293.297 3.624 30 20 CHED C#CCCCCNC(=O)C1(Cc2ccc(Cl)cc2)CC1 770754131 QDAPPNTZAFYMDE-UHFFFAOYSA-N 289.806 3.582 30 20 CHED CCCCCCCC(=O)N[C@H](CO)[C@@H](C)c1ccccc1 771486616 RBRIVHCDTQCXEA-DOTOQJQBSA-N 291.435 3.628 30 20 CHED C[C@H](C#N)Oc1ccc(C=NN[C@H]2CCCCC2(C)C)cc1 773124801 LJSSEWKTQACXQZ-PBHICJAKSA-N 299.418 3.870 30 20 CHED Cn1ccc(/C=C2\CCc3c(sc4ccccc34)C2=O)n1 773155020 ZTHTTZXCNYXFLI-ZHACJKMWSA-N 294.379 3.847 30 20 CHED CCCCCCCCC(=O)NC[C@H]1COC2(CCCC2)O1 773689306 NUIMHNJQGMJQLR-HNNXBMFYSA-N 297.439 3.539 30 20 CHED C#C[C@H](OC(=O)[C@H](C)Oc1cccc2ccccc12)C1CC1 774154256 DGZCDOBTMCSGOA-GUYCJALGSA-N 294.350 3.562 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H]1C[C@]1(C)C(C)C 774223702 AYDTXJVTRAJRSX-DOTOQJQBSA-N 271.360 3.592 30 20 CHED CC(=NOC1CCCC1)c1ncc(Br)s1 774596644 JHESTSMQMRSCGD-UHFFFAOYSA-N 289.198 3.589 30 20 CHED C#CC[C@@H](NCCOc1cccc(C)c1)c1ccccc1 775400567 PVCCDNBRWAJSCN-LJQANCHMSA-N 279.383 3.728 30 20 CHED FC(F)(F)CCON=C1CC[C@H]1c1ccccc1 777462973 UKWSBKSSXVBNGO-NSHDSACASA-N 257.255 3.889 30 20 CHED C=C(Cl)CNC(=O)c1nc(C)sc1-c1ccccc1 778767955 FIXDNCKAPZCQLA-UHFFFAOYSA-N 292.791 3.601 30 20 CHED C#CCCCCCC(=O)Oc1cc(Cl)ccc1F 779951397 SCVIDGFCWHAHGJ-UHFFFAOYSA-N 268.715 3.968 30 20 CHED COCC(=NNc1cc(C)ccc1F)C1CCCC1 780231099 XDUYDOUAMMLISN-UHFFFAOYSA-N 264.344 3.739 30 20 CHED COc1ccc(NN=Cc2cc3ccccc3s2)nc1 780267367 LBKUVDHPVHZONA-UHFFFAOYSA-N 283.356 3.751 30 20 CHED CC(C)(C#N)CC(=O)OCCCOc1cccc(Cl)c1 785096124 MVJMNBBXKLWGHV-UHFFFAOYSA-N 295.766 3.592 30 20 CHED C/C(=C/C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(C)(C)C 786386154 LWPHXDBDPIESSP-HMWXGYMHSA-N 282.387 3.654 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1cccc(F)c1 789071800 WZDJUGBHRYCERO-UHFFFAOYSA-N 295.317 3.503 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3[C@H](C)C2)CCC1 790131663 DVVXERAJARLNCC-CQSZACIVSA-N 269.388 3.879 30 20 CHED Clc1sccc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 790171605 YBBRMZSZBPOYMO-ATZCPNFKSA-N 254.786 3.514 30 20 CHED CCCCCCCCCS(=O)(=O)c1ccc(CO)cc1 790176879 ULYBNJSPWAFSHE-UHFFFAOYSA-N 298.448 3.703 30 20 CHED C#CCCNc1cnn(-c2cccc(Cl)c2)c1CC 790328664 VRCNXTLKAPEWIC-UHFFFAOYSA-N 273.767 3.523 30 20 CHED N#Cc1cc(C(=O)O[C@@H]2CCc3ccc(F)cc32)ccc1F 790814651 JQTKZIOVKGYBHZ-MRXNPFEDSA-N 299.276 3.681 30 20 CHED CCCCCCCCCN1CCCN(C(=O)C2CC2)CC1 792300117 YSAUPZZVSJNXSA-UHFFFAOYSA-N 294.483 3.681 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc2c(c1)C(C)(C)C(=O)N2 793164115 SIYCMMNEPMMUKA-LLVKDONJSA-N 288.391 3.703 30 20 CHED Fc1ccc([C@@H]2CCCC2=NNCCC(F)(F)F)cc1 794547138 ZBIYFWUEBRDHHP-LBPRGKRZSA-N 288.288 3.991 30 20 CHED Cc1cccc(C(=O)/C=C\c2c(F)ccc(O)c2F)c1 794933623 KBBALRDKBVRTHG-ALCCZGGFSA-N 274.266 3.875 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1ccnn1C(C)C)O2 794940999 HUDKDGOZFSAIQK-SXGWCWSVSA-N 282.343 3.697 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2ccnn2-c2ccccc2)c1 798372992 TWEXDCZAOOLYSD-MDZDMXLPSA-N 299.333 3.640 30 20 CHED C#C[C@@H](NC(=O)N(CC)Cc1ccc(Cl)s1)C(C)C 798557794 ZWJVGIKBTAZOQN-GFCCVEGCSA-N 298.839 3.591 30 20 CHED Cc1nc2ccccc2c(=O)n1N=CCC1CCCCCC1 799104471 RNRDZQREUCJYIA-UHFFFAOYSA-N 297.402 3.899 30 20 CHED CC[C@H](C)NN=C1CCC[C@@H](c2ncccc2C)C1 799113517 HUGGMKZCGOSNHG-UONOGXRCSA-N 259.397 3.792 30 20 CHED COc1ccccc1CON=C[C@@H]1C[C@H]2CC[C@H]1C2 799116908 CPLQUKICTXOYEU-YDHLFZDLSA-N 259.349 3.634 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H](c2ccccn2)C1 799193940 ORSAPISIUKVRLQ-PBHICJAKSA-N 277.371 3.504 30 20 CHED COCCCC(=NOCC(F)(F)F)c1ccc(F)cc1 799483415 OIHWSWRQYBWPIL-UHFFFAOYSA-N 293.260 3.535 30 20 CHED COc1cc(/C=C/C(=O)c2ccnc(Cl)c2)ccc1C#N 799497364 PCOMNPDQFBPFAT-HWKANZROSA-N 298.729 3.511 30 20 CHED CCCC[C@H](C)C(=O)OCc1ccc(C#N)cc1F 800274792 VXXHKMAJYJYRKI-NSHDSACASA-N 263.312 3.567 30 20 CHED CC(C)c1cccc2c1OCC/C(=C\c1cn(C)cn1)C2=O 800794771 PQLBJWPPLOKQTD-UKTHLTGXSA-N 296.370 3.592 30 20 CHED C=CCN(C(=O)c1cc(C)cc(C)n1)c1ccccc1 800829523 LUXKDFDHGLKOEV-UHFFFAOYSA-N 266.344 3.531 30 20 CHED CCOc1ccc(C=NOCCSC(C)C)cc1OC 800867761 LLYNDGNYWNJSQG-UHFFFAOYSA-N 297.420 3.586 30 20 CHED C=CC[C@H](C(=O)OCC1CCC(=O)CC1)c1ccccc1 803448577 UJBPCTXYYLDTNQ-KRWDZBQOSA-N 286.371 3.649 30 20 CHED C#C[C@@H](NC(=O)/C(C)=C/CC)c1ccc(Cl)cc1F 804420925 PXCBTMAAMNIGLL-OAUONFCTSA-N 279.742 3.626 30 20 CHED CC(C)(C)CC1=NN/C(=N/C2CCCCC2)SC1 806549639 SNIJPGXQTCAQOA-UHFFFAOYSA-N 267.442 3.804 30 20 CHED O=C1/C(=C\c2cccnc2Cl)Cc2nc(Cl)ccc21 806579342 DHOMGYLKVPRMPN-TWGQIWQCSA-N 291.137 3.606 30 20 CHED C=CCCc1ccccc1NC(=O)c1cccnc1F 807479757 WHJSOKJRZVVNDV-UHFFFAOYSA-N 270.307 3.592 30 20 CHED C#C[C@@H](NC(=O)c1cc(C)c(C)cc1Cl)C(C)(C)C 807880686 OUIDOIRJQLUXFQ-CQSZACIVSA-N 277.795 3.735 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1132269982 JEIFLVSJQQQXOD-UHFFFAOYSA-N 280.258 3.696 30 20 CHED Cc1cc(=N[C@@H]2CCCc3ccc(Cl)cc32)c(C#N)c[nH]1 1163838048 OLVOLCBMXYEXEA-MRXNPFEDSA-N 297.789 3.827 30 20 CHED N#Cc1ccc(OC2CN(CCC3CCCCCC3)C2)cc1 1182216961 XWGLBNMFYDXBEJ-UHFFFAOYSA-N 298.430 3.982 30 20 CHED Cc1c(Cl)cnc(NC[C@H]2CC[C@@H](C)C2)c1C#N 1186345086 VYDRMSCQDGNCGA-KOLCDFICSA-N 263.772 3.763 30 20 CHED C=C(Br)CN1CCC[C@H]1[C@@H](C)CCC 1192174426 ROKNKWAVCZYSBU-JQWIXIFHSA-N 260.219 3.796 30 20 CHED N#Cc1ccc(CCNC2CCCCCCC2)cc1 1258234342 UQYDQGGGHXKYMZ-UHFFFAOYSA-N 256.393 3.803 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(Nc2ccccc2)CC1 1262013952 RTQAHGBAJPSYKD-UHFFFAOYSA-N 286.419 3.692 30 20 CHED C=C(C)CCC(=O)N(C)Cc1cccc(OC(C)C)c1 1262615831 WOJVPBOHPBHDMU-UHFFFAOYSA-N 275.392 3.789 30 20 CHED C[C@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CC[C@H]1C 1307091250 SVAKWHGUHCGFDE-SCVCMEIPSA-N 263.772 3.843 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCCC(F)(F)F)n1 1307360401 LMZPFHOLGAEIPJ-UHFFFAOYSA-N 272.270 3.582 30 20 CHED CCC1(CC)[C@@H](Nc2cccc(C#N)c2)C[C@@H]1OC 1308658044 YHDFHULACPBZOY-GJZGRUSLSA-N 258.365 3.564 30 20 CHED C[C@@H](NC(=O)CC#Cc1ccccc1)c1cccc(F)c1F 1319647480 DGJXNYMHKSUACE-CYBMUJFWSA-N 299.320 3.584 30 20 CHED N#CCc1cccc(NC[C@H]2CCCc3ccccc32)n1 1320491669 VDDZKADBQQBOQL-OAHLLOKOSA-N 277.371 3.680 30 20 CHED C=CCCCCN1CCC(C(=O)c2cccs2)CC1 1325182909 YNVOWGJUPWCGDZ-UHFFFAOYSA-N 277.433 3.999 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(CN2CCCC2)c1 1325518206 RCJFCUXRSHJYSM-UHFFFAOYSA-N 286.419 3.823 30 20 CHED C=C[C@@](C)(CC)c1nnc(CCc2ccccc2)o1 1327039911 RHQPQDOGFARHJP-INIZCTEOSA-N 256.349 3.709 30 20 CHED N#CCOc1ccc(N[C@@H](c2ccccn2)C2CC2)cc1 1334728447 DFOASBFWOAYLBO-QGZVFWFLSA-N 279.343 3.547 30 20 CHED CC(C)Sc1ccccc1C(=O)N(C)[C@H](C)CC#N 1337807749 IBMIKRVGUHEPBG-GFCCVEGCSA-N 276.405 3.561 30 20 CHED CC1(c2ccccc2)CCN(c2cccc(CC#N)n2)CC1 1342859605 XELUPMSRTBLXQM-UHFFFAOYSA-N 291.398 3.706 30 20 CHED CC(C)(C)C#Cc1nnc(C(C)(C)c2ccccc2)o1 1346675663 PQUDKLOXOMOWJK-UHFFFAOYSA-N 268.360 3.793 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)CC(C1CCC1)C1CCC1 1347339544 YKAYTTLCPVUPFW-MRXNPFEDSA-N 299.418 3.686 30 20 CHED N#CC[C@H](OC(=O)/C=C\C1CCCC1)c1ccco1 1347948977 OEMSXYQSFLZKGM-DANTVBBOSA-N 259.305 3.524 30 20 CHED CCc1cccc(C)c1NC(=O)c1csc(C#N)c1 1349002641 OHNODFYWNQEQOA-UHFFFAOYSA-N 270.357 3.743 30 20 CHED C=C(CC)C(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 1351646733 VDAQDJJJMGYNSM-SJLPKXTDSA-N 269.388 3.881 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1ccc(C#N)c(C)n1 1355813788 OFHPMSKWJDZFPI-AWEZNQCLSA-N 287.407 3.598 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@H](C)[C@H]1CC 1359141870 UPPKDLXMPFSLTO-WCQYABFASA-N 296.846 3.779 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1457196032 XLICARGALZCYKS-JGGQBBKZSA-N 271.360 3.989 30 20 CHED Cc1c(Nc2c(C#N)cnc3c(Cl)cccc23)cnn1C 1458263933 HOAWDKOFZIOMIJ-UHFFFAOYSA-N 297.749 3.545 30 20 CHED N#Cc1ccc(NCc2cc(Cl)cc(Cl)c2)nc1 1458484981 UKWHSEXNUUIVPA-UHFFFAOYSA-N 278.142 3.872 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 1475823475 GUZNGYHKQDOETA-GJZGRUSLSA-N 285.391 3.896 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1c(C)cc(F)cc1C 1515541872 VVEZCWPMQWVEEN-UHFFFAOYSA-N 282.318 3.875 30 20 CHED C[C@H]1CCC[C@H]1Nc1c(Br)cccc1C#N 1559100245 JKUSCHQNCBFSTO-JOYOIKCWSA-N 279.181 3.921 30 20 CHED CC(C)(CC(=O)Nc1cccc(C#N)n1)C1CCCCC1 1584682167 ZATAUXYZOXOKPJ-UHFFFAOYSA-N 285.391 3.888 30 20 CHED CCSc1cc(C(=O)Nc2cc(C)cc(C#N)c2)ccn1 1584930245 NNJMTIJXYAJDRY-UHFFFAOYSA-N 297.383 3.626 30 20 CHED N#Cc1cccc(NC(=O)CCC2CCCCCC2)n1 1585913436 UDIWZSWBUMJBRY-UHFFFAOYSA-N 271.364 3.642 30 20 CHED C=CCCCCCS[C@@H](C)c1nc(C(=O)O)co1 1588799933 QNPMEVUTUPBKMG-JTQLQIEISA-N 269.366 3.913 30 20 CHED N#CCCCSCc1ccc(C(=O)O)c(Cl)c1 1601066554 GVIOANIEVKPZTI-UHFFFAOYSA-N 269.753 3.575 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cc(Cl)ccc1Cl)C(=O)O 1602841879 ILRNYNNQPOQZHT-QPUJVOFHSA-N 288.174 3.673 30 20 CHED C=CCCC[C@@H](C)Sc1ncccc1C(=O)O 1602862827 IFYINSZEYDFAHD-SNVBAGLBSA-N 251.351 3.617 30 20 CHED Cc1cc(CNc2c(C#N)cnc3c(Cl)cccc23)no1 1611849215 BYHXQRRXIYJLDU-UHFFFAOYSA-N 298.733 3.668 30 20 CHED N#Cc1cc(Cl)ccc1SCc1cscn1 1613587424 YRKHESAJXMEHRP-UHFFFAOYSA-N 266.778 3.960 30 20 CHED CCCN(Cc1cc(C#N)ccn1)c1ccccc1F 1620421080 ZLQDEVWZGZDJNL-UHFFFAOYSA-N 269.323 3.509 30 20 CHED C=C(CNC(=O)Nc1ccsc1C)c1ccccc1 1626881972 PCRPTPFAPBKSSV-UHFFFAOYSA-N 272.373 3.891 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1cccc(C#N)c1 1640665826 DBVOKYVEYWHQET-UHFFFAOYSA-N 279.343 3.631 30 20 CHED C=C(Cl)CN(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 1646026124 LACXFWBUUKRLGY-HUUCEWRRSA-N 279.811 3.917 30 20 CHED Cc1ccnc(N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1C#N 1655531959 RZDLKQVUPOSAOG-ZIAGYGMSSA-N 271.408 3.913 30 20 CHED Cc1ccc(C=NN[C@H](C)C2CCCCC2)c(C(=O)O)c1 1776040455 RGHIJKZOGNFGOP-CYBMUJFWSA-N 288.391 3.586 30 20 CHED C=CC[C@@H](CNc1ccc(C(=O)O)cn1)c1ccccc1 1776152007 ZBVICNCYWSVTBH-AWEZNQCLSA-N 282.343 3.552 30 20 CHED C=CCCCN(CC)Cc1cc(C(=O)O)sc1Cl 1776174108 YYWVWDZJWUDKFC-UHFFFAOYSA-N 287.812 3.888 30 20 CHED C=CCN(CCC)[C@@H](C(=O)O)c1ccc(F)cc1Cl 1776179842 UXQZXEJRAZECGG-CYBMUJFWSA-N 285.746 3.503 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C)c(C(=O)O)c2)cc1 1777352284 ZASZPPPZCFPRQH-BJMVGYQFSA-N 296.322 3.598 30 20 CHED Cc1ccnc(NCCc2cccc(Cl)c2)c1C#N 343476457 NIWIPNCBMWGOSE-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 57069682 WJDJUAVAUXJWNB-ZDUSSCGKSA-N 294.354 3.988 30 20 CHED N#Cc1ccc(NC(=O)CCCc2ccccn2)cc1Cl 103938967 JMRWHDMDMJMKHF-UHFFFAOYSA-N 299.761 3.568 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1sccc1C 104542636 LRQOBPOODDZFOB-UHFFFAOYSA-N 278.421 3.849 30 20 CHED Cc1cc(N2CCCC2)ccc1NC(=O)C1(C#N)CCCC1 52751356 GKDLWPUZLRZXEV-UHFFFAOYSA-N 297.402 3.618 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCC1(C#N)CCC1 419016556 DVNHEVNFQPZBCC-UHFFFAOYSA-N 279.265 3.683 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1C 105308805 QVWWCNLUUHDXHG-YOEHRIQHSA-N 299.418 3.667 30 20 CHED C=CCCC(=O)N1CCCc2cccc(OC(F)F)c21 102239334 PGNSCVOWCUZPHY-UHFFFAOYSA-N 281.302 3.533 30 20 CHED N#Cc1ccc(N2CCCCCC2)c(Br)c1 116942747 UWCGSLRAQZGYAI-UHFFFAOYSA-N 279.181 3.701 30 20 CHED C=CCCCC(=O)Nc1ccc(Br)c(OC)c1 176339813 AYHDVHCBUPFAON-UHFFFAOYSA-N 298.180 3.753 30 20 CHED N#Cc1ccc(Oc2ccc(OC(=O)C3CC3)cc2)cc1 175815369 BBISZCVVCNVIMF-UHFFFAOYSA-N 279.295 3.666 30 20 CHED N#Cc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 20261968 HYHQZZILWYQINU-UHFFFAOYSA-N 291.398 3.635 30 20 CHED C=C(C)COc1cccc(NC(=O)Cc2ccccc2O)c1 67178312 BGRFGEJGAWFCPY-UHFFFAOYSA-N 297.354 3.528 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 119877963 ZMXDGGAZOASYKC-QZTJIDSGSA-N 283.415 3.708 30 20 CHED N#Cc1cccc(C(=O)NC2(C(F)(F)F)CCCCC2)c1 509828117 RYTPVZVRMPHZKO-UHFFFAOYSA-N 296.292 3.553 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(NC(=O)CC)c1 179768688 AFEGLVFRHDZVGU-ZDUSSCGKSA-N 288.391 3.510 30 20 CHED CCC1(C)CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 78835502 PSYAPHHDAGIHPQ-UHFFFAOYSA-N 297.324 3.989 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCOc1ccccc1C#N 303694689 MZJLBACBARTDDA-VYDXJSESSA-N 284.403 3.590 30 20 CHED COCc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2)c1 172818185 XLPZVVJQZXLHLM-BQYQJAHWSA-N 284.359 3.507 30 20 CHED COCc1cccc(/C=C/C(=O)c2cccc(C#N)c2)c1 172817442 PNRUEQXRGOQVBU-CMDGGOBGSA-N 277.323 3.601 30 20 CHED N#Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 110575902 UYMCTEZKYAIAKM-LSDHHAIUSA-N 296.395 3.686 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C)[C@@H]2C)c1 175325381 LETAYLGWIAWCBZ-KGLIPLIRSA-N 288.391 3.904 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(C#N)cs1 179448352 TYGXZOVIWLTDDA-MEDUHNTESA-N 296.395 3.673 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CC1CC(c2ccccc2)C1 409514501 BBQOTTFXPDLIIU-UQPPLGOBSA-N 284.403 3.578 30 20 CHED Cc1ccc(CCNCC(C)(C)CCC#N)c(C)c1 174308582 HFMQPNYGRPBZMB-UHFFFAOYSA-N 258.409 3.766 30 20 CHED N#Cc1cccc(NCc2csc(-c3ccccc3)n2)n1 301515785 JTELYCWQYWZTKI-UHFFFAOYSA-N 292.367 3.689 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cc2ccccc2s1 122304180 WUQMGRZVKYELGX-HNNXBMFYSA-N 272.373 3.569 30 20 CHED CCc1nc(CCNc2c(F)cc(C#N)cc2F)cs1 301160840 HHUKZYKOOHZGNQ-UHFFFAOYSA-N 293.342 3.510 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cc1 34992046 BUDAJPMLZPZTFS-ZDUSSCGKSA-N 284.334 3.579 30 20 CHED Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc(C#N)c1C 178785503 OPSOZMGRWREQAZ-SNVBAGLBSA-N 297.358 3.604 30 20 CHED N#Cc1cc(NC(=O)CCCC(F)(F)F)ccc1Cl 355989831 HTXZQCGQFCEJCB-UHFFFAOYSA-N 290.672 3.883 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2c(C)nn(C)c2C)c1 64925859 KPPOIJBRZFFQSL-MDZDMXLPSA-N 298.386 3.722 30 20 CHED Cc1nc2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2o1 185861508 YWOIDQALMIXTIX-RYUDHWBXSA-N 255.321 3.631 30 20 CHED C=CCOc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 120217978 ZIFLNSYKWDATSD-UHFFFAOYSA-N 281.355 3.836 30 20 CHED N#Cc1ccc(NCCC(=O)Nc2ccccc2)cc1Cl 301240649 FWSMEWIETRQAEP-UHFFFAOYSA-N 299.761 3.652 30 20 CHED C=C(C)CN(C)C(=O)C(C)(C)c1ccc(CC)cc1 180478146 HRYPDJFVKHEPMQ-UHFFFAOYSA-N 259.393 3.561 30 20 CHED CC(C)[C@@H](C(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 76825479 SIDVRHYKYYWRQS-DOTOQJQBSA-N 278.355 3.698 30 20 CHED COC(=O)c1sc2ccccc2c1CSCCC#N 413011920 KHKDXDQWXJISNF-UHFFFAOYSA-N 291.397 3.835 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(-c2cc[nH]n2)c1 185922233 GGVIKEVHGPYCJL-ZDUSSCGKSA-N 298.390 3.943 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)CCCC(F)(F)F 411003028 RYQGSUDROBNPQX-UHFFFAOYSA-N 296.292 3.570 30 20 CHED CC[C@H](NCCCC#N)c1nc(C(F)(F)F)cs1 185946910 DEADLZPMZOBKOZ-QMMMGPOBSA-N 277.315 3.506 30 20 CHED Cc1cc(CN(CCC#N)CC(C)(C)C)ccc1C#N 488414056 GHSMRWKSLGFQLZ-UHFFFAOYSA-N 269.392 3.628 30 20 CHED C=CC[C@H](C(=O)N1CCS[C@H](C)[C@H]1C)c1ccccc1 188110983 SVOGBQUGUMYGNS-FMKPAKJESA-N 289.444 3.699 30 20 CHED COCCOc1cccc(CNc2cccc(C#N)c2C)c1 181447745 DPPRABSSAKDXOR-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(OCC)ccc1OCC 181522343 DVEQGOHFMGHYLL-UHFFFAOYSA-N 292.379 3.524 30 20 CHED C=CCC[C@@H](Nc1cccc(NC(C)=O)c1)C1CC1 182713880 MAWRXAUQBXVXAT-MRXNPFEDSA-N 258.365 3.802 30 20 CHED CCCCC[C@H](NC(=O)NC[C@@H](C)C#N)c1ccccc1 182640401 AYIXWRBYALWLHT-HOCLYGCPSA-N 287.407 3.767 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1nc(C2CC2)cs1 189473450 LSHFBNBISRQJHA-CQSZACIVSA-N 265.378 3.666 30 20 CHED N#Cc1ccc(OCc2ncc(-c3cccs3)o2)cc1 41647238 DCQWUGDOUFMPSF-UHFFFAOYSA-N 282.324 3.854 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 42381096 AFJHWXIORBQCMM-DOTOQJQBSA-N 282.387 3.547 30 20 CHED Cc1coc(-c2cccc(N=C(O)C3CCC(=O)CC3)c2)n1 329826545 IRTVNCWCOCUASN-UHFFFAOYSA-N 298.342 3.997 30 20 CHED OC1=NCCCC[C@@H]1/N=C(/O)C(C1CCC1)C1CCC1 329027695 WBJBZOSNPIOVLM-ZDUSSCGKSA-N 278.396 3.668 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416114288 YISUBZDFFDLSTH-QIIPPGSGSA-N 296.414 3.878 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(Cl)ccc1Cl 136163056 VGEOICVRCMRMKI-GFCCVEGCSA-N 271.147 3.872 30 20 CHED CCC[C@H](C)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 195231820 OLRCTLISTYQKOT-AWEZNQCLSA-N 284.403 3.876 30 20 CHED N#CCCN(CCC1(C#N)CCCCC1)Cc1ccco1 411307147 MMSQWHSELNOPNP-UHFFFAOYSA-N 285.391 3.859 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc(OC(F)F)c2)C1 193077104 ADILVVSXHSOYAW-WDEREUQCSA-N 266.291 3.782 30 20 CHED N#Cc1nc(NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)ccc1Cl 132390374 YCRMQZQLAQXJCV-PBFPGSCMSA-N 295.773 3.604 30 20 CHED CCc1ncsc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 137221083 XUVSSMJOLRBWKI-UHFFFAOYSA-N 299.399 3.759 30 20 CHED Cc1cn2cc(N/C(O)=N/[C@@H]3CCC(C)(C)C3)ccc2n1 329067047 LSKUBUIRQVWSAP-GFCCVEGCSA-N 286.379 3.547 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1coc2c(C)cccc12 425573264 AINUUJPKOGQJJI-GFCCVEGCSA-N 270.332 3.506 30 20 CHED Cc1ccc(C)c(NC(=O)c2c(F)cc(C#N)cc2F)c1 132548295 FATFGZFSTZLMAB-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](c1ccccc1)C1CCC1 517142119 ISTJSJNBHGNSQP-KRWDZBQOSA-N 284.403 3.911 30 20 CHED Cc1nc2cccc(/C(O)=N/[C@H]3CC34CCCCC4)c2[nH]1 328686338 GGFABTSUPKXXAQ-AWEZNQCLSA-N 283.375 3.899 30 20 CHED Cn1ccnc1-c1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 194134551 NEXVOLOICNIBPO-ZFWWWQNUSA-N 280.375 3.581 30 20 CHED C#CCOc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)cc1 131270067 YFEJBDJHYOPONI-HNNXBMFYSA-N 293.366 3.532 30 20 CHED C=CCC[C@H](O)CN(C(C)C)[C@H](C)c1ccsc1 421005379 JEXUAYWMYFBEEX-HIFRSBDPSA-N 267.438 3.847 30 20 CHED C=C(CNC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1ccccc1 512668986 YBSADKOYGOEPCY-MRXNPFEDSA-N 286.419 3.920 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(C#N)cs1 84110071 UPBVYJUCWZTOHW-UHFFFAOYSA-N 288.416 3.828 30 20 CHED Cn1cc(CN(Cc2ccoc2)C2CCCCC2)cc1C#N 191387246 INSVNTCATNJTPU-UHFFFAOYSA-N 297.402 3.825 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@]2(C)CC2(F)F)c1 421459293 DIWFUTISIYWAGL-AWEZNQCLSA-N 281.302 3.625 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@@H](CCC)C1 337804421 GVIMKASXZDRLNK-CQSZACIVSA-N 288.439 3.748 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@H]1CCCCC12CCCC2 331676397 QLOLCIMXZRQDEY-AWEZNQCLSA-N 291.439 3.728 30 20 CHED C=C(C)CN(CC)c1cncc(-c2cccs2)n1 338642475 CHXNLCZSWBZLDB-UHFFFAOYSA-N 259.378 3.608 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@H](C)c2ccco2)c1 335004248 LBPXYRWQHJWLKU-GFCCVEGCSA-N 283.331 3.685 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc(C#N)c1C 510220912 DICRUMULMUQFDC-RHSMWYFYSA-N 284.403 3.908 30 20 CHED Cc1cc(SCc2nc(C)c(C)o2)ccc1C#N 335342610 XUNJDNKJNAPULY-UHFFFAOYSA-N 258.346 3.764 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1cccc(C#N)c1 510591633 UAAHNAZBCSBLDY-DZGCQCFKSA-N 270.376 3.504 30 20 CHED C=CC[C@@H](C(=O)N1CC(C)(C)[C@@H]1C1CC1)c1ccccc1 427250690 PYQOPTKFHADZEQ-SJORKVTESA-N 283.415 3.993 30 20 CHED C[C@H](Cc1noc(-c2ccc(C#N)o2)n1)c1ccccc1 426454915 AUILMFHZJOZQGN-LLVKDONJSA-N 279.299 3.547 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(C)c(C)n2)no1 420509524 DSUNTWKYHMLILO-OAHLLOKOSA-N 257.337 3.602 30 20 CHED C[C@@H](CNc1c(C#N)cnc2ccccc12)c1nccs1 230608313 CKLFPMSQBGDTJC-NSHDSACASA-N 294.383 3.779 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(-c2c(F)cccc2F)o1 93090665 UFTRDNRDKSINKG-LLVKDONJSA-N 290.313 3.959 30 20 CHED C=CCOCCN1CCCC[C@H]1c1nc2ccccc2o1 339049179 VGIQEFKZUXPTIV-HNNXBMFYSA-N 286.375 3.557 30 20 CHED C=CCSCCNCc1cccn1CCC(C)C 236636763 PJGMYJGYOHAABU-UHFFFAOYSA-N 266.454 3.543 30 20 CHED C[C@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)[C@@H]1C 92737301 IKFZYPFCEBZSJW-JKSUJKDBSA-N 285.435 3.657 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ncc(C(C)C)s1 337954936 LDXFPDKTDCMABY-UHFFFAOYSA-N 285.372 3.699 30 20 CHED CC[C@@H]1CCCCN1C(=O)[C@H](C#N)CCc1ccccc1 433103510 LKSAFIPPSDKQRW-DLBZAZTESA-N 284.403 3.550 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C)ccc1OC 436303271 BFKQJGQHCYBFKI-VKJFTORMSA-N 289.419 3.635 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C)ccc1C 435665699 QXYBDSCAICUXLO-RYRKJORJSA-N 273.420 3.935 30 20 CHED C[C@H]1CCCCN1CCCCN[C@H](C)c1ccc(C#N)cc1 245896684 NEWIUGVUFIALQE-DLBZAZTESA-N 299.462 3.863 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@H](C)C1 345462130 UIBUHVZSJDHXNM-YOEHRIQHSA-N 282.387 3.509 30 20 CHED CC(C)N(CCC#N)Cc1csc(C(C)(C)C)n1 536646043 PXYXZJXLLGHMHV-UHFFFAOYSA-N 265.426 3.565 30 20 CHED C=CC[C@@H](CC)Nc1ncnc2c1cnn2-c1ccccc1 344553486 OVKIQDPVSVUQPZ-CYBMUJFWSA-N 293.374 3.582 30 20 CHED N#CCC[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 246986930 WFERSJUDEJRBBQ-QMCVQRASSA-N 282.387 3.584 30 20 CHED Cc1c(N[C@@H](C)c2ccc(C#N)cc2)cnn1CC(C)C 347325315 AWLKXMXPMJGREV-ZDUSSCGKSA-N 282.391 3.892 30 20 CHED CN(Cc1ccoc1)c1ccc(C#N)cc1C(F)(F)F 348173024 IEHHBOITLUZFQR-UHFFFAOYSA-N 280.249 3.806 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2cccc(F)c2)CCCC1 522643033 YVURNVGTDPBQGE-ZDUSSCGKSA-N 275.367 3.718 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cccc(C)c1C 436291832 QYKKPMFZPWNUDZ-BQFCYCMXSA-N 273.420 3.935 30 20 CHED C=CC[C@H](C)Nc1nc(C)nc2sc3c(c12)CCC3 342519250 OQFHTDVKNHJRAW-VIFPVBQESA-N 273.405 3.865 30 20 CHED C[C@H](CCC#N)CNc1cccc(Cl)c1N(C)C 602599064 CIOLDQFCRRAFRN-LLVKDONJSA-N 265.788 3.758 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CC1CCSCC1 602694242 YBCFKQVPDCLVMA-ZDUSSCGKSA-N 274.433 3.694 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCSc2ccccc21 346009657 ACFYQIMYJPLAJY-JSGCOSHPSA-N 290.432 3.877 30 20 CHED Cc1cccc(NC2CCN(CC3(CC#N)CC3)CC2)c1 602792889 GPIYZEQSIHKYKK-UHFFFAOYSA-N 283.419 3.565 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(C#N)cc1 609034283 NKPPYSPZPLSKLV-ZWKOTPCHSA-N 298.430 3.822 30 20 CHED CCc1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1 602484111 NDVYVSCJSWJWIH-AWEZNQCLSA-N 272.392 3.760 30 20 CHED N#CCc1ccc(-c2nc(-c3cccs3)no2)cc1 340196542 DQONEWBHGUSFAE-UHFFFAOYSA-N 267.313 3.531 30 20 CHED C=C(Br)CN1CCC(Cc2ccccc2)CC1 62640403 PVIDGJHUAMUKSL-UHFFFAOYSA-N 294.236 3.850 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)Cc1ccc(C#N)cc1 609645784 SKJHYZDCXIZZPW-HNNXBMFYSA-N 298.430 3.966 30 20 CHED C[C@H](Nc1cccc2c1OCC2)c1cccc(C#N)c1 600852578 PWFFFCWZVGEATD-LBPRGKRZSA-N 264.328 3.666 30 20 CHED C=C1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 604865986 RORYPCPTLNDGKT-WBVHZDCISA-N 271.404 3.995 30 20 CHED C[C@@H](CCC#N)CNc1ccccc1OCC1CC1 602488224 RWEMUYIWEVCVPI-ZDUSSCGKSA-N 258.365 3.827 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 524870944 BMTWPMMNLRJIPF-GOEBONIOSA-N 259.393 3.897 30 20 CHED CSc1ccc(CN(CCC#N)Cc2ccco2)s1 356061095 JMVSBSVFMSZTON-UHFFFAOYSA-N 292.429 3.979 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(F)c2ccccc12 359379943 MAYQWLBSCMVUNA-UHFFFAOYSA-N 282.318 3.521 30 20 CHED C=CCC[C@H](O)CN(Cc1ccco1)c1ccccc1 351543326 JJNKBJMTYFMUEY-INIZCTEOSA-N 271.360 3.613 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@]1(C)CCC[C@H]1C 448822489 KQYGJTMBRIHIAF-MLGOLLRUSA-N 256.349 3.632 30 20 CHED C/C=C/c1ccc(NC(=O)NCC2(CC#N)CC2)cc1 353269935 CSYMMDTUOCFKGL-NSCUHMNNSA-N 269.348 3.535 30 20 CHED CC1(C#N)CCC(NCC2(c3ccccn3)CCC2)CC1 449322437 PGRXXYXWZFRRBI-UHFFFAOYSA-N 283.419 3.565 30 20 CHED C[C@@H](CNCc1cc(C#N)cs1)c1ccc(F)cc1 530640496 BMSSMCRAKYOPSI-NSHDSACASA-N 274.364 3.652 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(OCC#N)cc1 266589685 LVAXMYFHQJIHIX-HFTRVMKXSA-N 284.403 3.742 30 20 CHED N#CCCNCc1ccc(-c2ccc(F)cc2)s1 356117724 YNNZLWNFTCFKAZ-UHFFFAOYSA-N 260.337 3.557 30 20 CHED C=CCCCC[C@H](C)Nc1cccc(NC(N)=O)c1 449047612 RNDKNLZDGQKWNQ-LBPRGKRZSA-N 261.369 3.724 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H]1c1nc2ccccc2n1C 618887222 MHANKASQMQVERH-YOEHRIQHSA-N 296.418 3.650 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2cc(F)cc(F)c2)no1 355925695 BUEPGMMHYHJJAW-JTQLQIEISA-N 294.301 3.592 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCc2cccs2)C1 617789119 YYXSDDKZWWZIFP-AWEZNQCLSA-N 277.433 3.886 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1cccc(C#N)c1 610348896 YIOTYPHOVCTORF-UNEWFSDZSA-N 299.418 3.887 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(C)n(C)c1C 351849040 FFHRRJNPLHBLIA-UHFFFAOYSA-N 288.435 3.850 30 20 CHED CC(C)[C@@H]1C[C@@H](NC(=O)CC(C)(C)C#N)c2ccccc21 357449850 HBUQPZGTUDGHBY-JKSUJKDBSA-N 284.403 3.927 30 20 CHED C=CCC1(C(=O)N=c2cc(C3CCCCC3)[nH][nH]2)CCC1 358303012 AIKUUNBOUCJHGH-UHFFFAOYSA-N 287.407 3.564 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1ncc(C#N)cc1Cl 610280158 CUVQSXFMMZDOCD-GDBMZVCRSA-N 283.762 3.749 30 20 CHED C=CCN(Cc1cccs1)Cc1cccc(C#N)c1F 538096183 ABFOFHOSHDNRSS-UHFFFAOYSA-N 286.375 3.947 30 20 CHED CN(Cc1ccc(OCC#N)cc1)C1CCCCCC1 264526085 BXPOGKOUVDIXSK-UHFFFAOYSA-N 272.392 3.744 30 20 CHED C=CCCC1(C(=O)N[C@@H](CC)c2c(C)noc2C)CC1 356546407 WJHHIVAZHQFOIT-ZDUSSCGKSA-N 276.380 3.605 30 20 CHED C=CCCCNC(=O)c1ccncc1Oc1ccccc1 440889679 RDIYWZDQVBTAPH-UHFFFAOYSA-N 282.343 3.570 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CCC[C@@H]1C)c1ccccc1 535187273 WDGRBPKTPUBGRH-UAGQMJEPSA-N 271.404 3.899 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccccc1Cl)C(C)C 537085634 JTJWQGCEWMWGQG-XJKSGUPXSA-N 281.827 3.954 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncccc1Cl 618693312 DNUQNBSBTZXONX-AWEZNQCLSA-N 269.735 3.706 30 20 CHED CC(C)[C@@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 355105388 OTSGLBQLINQSIY-SJORKVTESA-N 284.403 3.721 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 619450162 RGTXCMAPOYYLHQ-JLSDUUJJSA-N 296.414 3.878 30 20 CHED C=CCC(CC=C)C(=O)N(CC)CCc1cccs1 268153092 LEMMTTZPWDFPCM-UHFFFAOYSA-N 277.433 3.908 30 20 CHED Cc1cccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1F 537253601 KJIXDZHZLJUJLE-GFCCVEGCSA-N 297.333 3.889 30 20 CHED C=C(C)CN(CC)Cc1ccc2oc(C(=O)OC)cc2c1 610212180 TVEAVEWLCWZLMW-UHFFFAOYSA-N 287.359 3.617 30 20 CHED CC(C)C[C@H](C)OCCC(=O)Nc1cccc(CC#N)c1 456763738 ZTSZNTYEUVHMQL-AWEZNQCLSA-N 288.391 3.532 30 20 CHED C[C@H]1CCc2c(sc(NC(=O)[C@H](C)C3CC3)c2C#N)C1 530872264 SVVLNRJELFICTL-VHSXEESVSA-N 288.416 3.729 30 20 CHED C=C(CNC(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccccc1 458767167 UNDAWLWSCSBWIM-CALCHBBNSA-N 284.403 3.531 30 20 CHED C=CCCOCCCCc1nc(Cc2ccccc2)no1 539406712 FQSYIWOUSHUTDM-UHFFFAOYSA-N 286.375 3.576 30 20 CHED Cc1ccc([C@@H](C)NCCOc2ccccc2C#N)cc1 539234341 QAAQFKMYHFGXNX-OAHLLOKOSA-N 280.371 3.596 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCCC(=O)C(C)(C)C 450172178 KSJJOAJNBNSDBQ-UHFFFAOYSA-N 286.375 3.591 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccc(F)c(C)c1 274341851 MHSLVTRIWWJAIX-CYBMUJFWSA-N 261.340 3.505 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)[C@H](C)c1ccccc1 544026455 ZCWRBRLNGFTKOL-LZWOXQAQSA-N 274.408 3.833 30 20 CHED CCC[C@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 610972219 SWIFEITXDZXMJN-ZFWWWQNUSA-N 273.380 3.519 30 20 CHED C[C@H](NC(=O)N(C)[C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 619428733 SJOZIGXLLGLUKF-BBRMVZONSA-N 299.418 3.839 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(F)c(F)c1 278270656 AQGQKHIWWFAXFQ-SECBINFHSA-N 267.275 3.509 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 455371993 UNMQVJNSACRFRP-GDBMZVCRSA-N 286.419 3.786 30 20 CHED C=CCN(C(=O)C[C@H](CC)c1ccc(OC)cc1)C1CC1 271444558 CWHIIMXGXJQNGN-AWEZNQCLSA-N 287.403 3.756 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N(C)c2ccc(C#N)cc2)cc1 272629920 WNLJOFFGPIYNHZ-HNNXBMFYSA-N 292.382 3.708 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccc(OCC=C)cc1 450422023 GFRVZKSCVLGUBW-OAHLLOKOSA-N 287.403 3.655 30 20 CHED N#CC1(c2nc(Cc3cccc4ccccc34)no2)CCC1 273738753 QALRWPYWQHLIOY-UHFFFAOYSA-N 289.338 3.759 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)c1cccs1 272543743 SABSINWNEVZIPD-CYBMUJFWSA-N 289.400 3.702 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 626490644 VEJBQXWYKMVFCN-JKSUJKDBSA-N 257.377 3.571 30 20 CHED Cc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)ccn1 364342539 MOLACYRLQBJXLW-UHFFFAOYSA-N 275.355 3.555 30 20 CHED CC(C)(CF)NC(=O)c1ccc(C#Cc2ccccc2)cc1 547783128 RMCFNJMODOXSPZ-UHFFFAOYSA-N 295.357 3.564 30 20 CHED Cc1cc(CN(C)Cc2c(F)cccc2F)ccc1C#N 549951851 MZGIVPVEJAIOCR-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C[C@@H]1CN(CCCCC(C)(C)C#N)c2ccccc2NC1=O 277884586 ZKANQXMNAYGRCO-CQSZACIVSA-N 299.418 3.801 30 20 CHED CN1CCC(=O)C[C@@H]1c1ccc(-c2cccc(C#N)c2)cc1 629711345 FABIGNQBVLTIIR-LJQANCHMSA-N 290.366 3.561 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(F)c2ccccc12 279872534 AIORDZYFOYDZSM-QGZVFWFLSA-N 284.334 3.647 30 20 CHED C=CCOCC(=O)N(C(C)C)[C@@H](CC)c1ccccc1 622974889 HWNWZJJUNCPOAS-INIZCTEOSA-N 275.392 3.577 30 20 CHED CC(C)(CCC#N)CN1CC=C(c2ccc(C#N)cc2)CC1 374282678 GOSYLRSMUVRSID-UHFFFAOYSA-N 293.414 3.977 30 20 CHED C=CCSCCN[C@H]1c2cc(F)ccc2C[C@@H]1C 541905567 PKORZBUFLRBKCS-XHDPSFHLSA-N 265.397 3.568 30 20 CHED C=CC[C@@H](CC)NC/C=C/c1ccccc1[N+](=O)[O-] 466384771 VNVZSXKTFJWBHX-DNGMOHDESA-N 260.337 3.552 30 20 CHED C=CCCN(C)C(=O)Cc1cc(Cl)ccc1Cl 466646823 DUEFHXRPYNBNTB-UHFFFAOYSA-N 272.175 3.570 30 20 CHED C=C[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C 466831948 OVSTYSXERJEXHK-LZWOXQAQSA-N 272.392 3.539 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 286418800 QVBGVGUFPRYMQQ-DOTOQJQBSA-N 269.388 3.790 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCCC12CCCC2 462970006 RCKYCTDGFHWISE-LSDHHAIUSA-N 279.424 3.587 30 20 CHED C=CCOc1cccc(CN[C@@H]2C[C@H]2Cc2ccccc2)c1 462762196 BBTDPAQUSADASQ-UYAOXDASSA-N 293.410 3.972 30 20 CHED Cc1ccc(-c2csc(NC(=O)CC(C)(C)C#N)n2)cc1 469658302 MPDOYLMTHHLWEC-UHFFFAOYSA-N 299.399 3.997 30 20 CHED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)c1cccc(F)c1 463342159 CJDJBRHWIDRFQM-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED Cc1cc(C(F)(F)F)nn1CCCC(C)(C)C#N 289366520 AHNFAHFHGQYRLR-UHFFFAOYSA-N 259.275 3.540 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCCC1CCOCC1 639267363 YOZAOXKPWMRAKC-SFHVURJKSA-N 273.420 3.580 30 20 CHED C=CCOCCN[C@@H](c1ccc(Cl)cc1)C1CCC1 559146728 CFBZVIZKPUZTKB-MRXNPFEDSA-N 279.811 3.973 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccccc2F)n1 556364745 JUNWQCRWUFQDKP-UHFFFAOYSA-N 260.312 3.653 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H]1Cc1ccccc1 472837005 VSVPVKLAYSUDLL-KRWDZBQOSA-N 286.419 3.759 30 20 CHED C=C(C)Cn1c(CC)nnc1N(CC)Cc1cccs1 558626138 TWAVSFIALCIUFU-UHFFFAOYSA-N 290.436 3.505 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC2(C(F)F)CCCC2)cc1 808451423 OKZFFLCYWZFCCR-LBPRGKRZSA-N 294.345 3.645 30 20 CHED C=C(C)COCCN[C@@H](c1cc(F)ccc1F)C(C)C 479410086 QPIIPPJVIXAFRE-MRXNPFEDSA-N 283.362 3.844 30 20 CHED CSc1ccccc1[C@@H](C)/N=C/c1cccc(O)c1O 800721958 VCDHZLOVJFUEIX-JDAJCMJVSA-N 287.384 4.000 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1N1CCCCCC1 806183635 HNTKAYBOIPXATF-OAHLLOKOSA-N 299.418 3.600 30 20 CHED N#CCCCC(=O)N1CCCCC[C@H]1c1ccccc1 292049870 GONMQEOTSDQSSV-INIZCTEOSA-N 270.376 3.824 30 20 CHED N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 802892060 YVQTVLJFLIFXFH-RBSFLKMASA-N 298.386 3.809 30 20 CHED C#C[C@@H](NC(=O)C1=CCCCC1)c1ccc(Cl)cc1F 804418680 TUELBTPCAKGOIS-OAHLLOKOSA-N 291.753 3.770 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC(F)F)cc1F 295880131 ZPMRGNQLMOASLV-UHFFFAOYSA-N 273.254 3.578 30 20 CHED CC(C)(CCC#N)CNC(=S)Nc1cccc(Cl)c1 806597420 IDSWJRANBSIWQB-UHFFFAOYSA-N 295.839 3.956 30 20 CHED C=C(Cl)COC(=O)c1cc2c(C)cc(C)nc2s1 804251175 GAJDMHGCHGWFRU-UHFFFAOYSA-N 281.764 3.822 30 20 CHED CC[C@H](C(=O)N(C)[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 297659312 BPBMRQLIRWKHQQ-GWCFXTLKSA-N 298.308 3.569 30 20 CHED C=C(C)COC(=O)CCc1ccc(C)c(Cl)c1 806229482 GJPZLDJPXDFJCG-UHFFFAOYSA-N 252.741 3.700 30 20 CHED CCCCCCCCCC(=O)N1CCOCC(F)(F)C1 809340529 CJMLDAFTVPBITD-UHFFFAOYSA-N 291.382 3.621 30 20 CHED CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccsc1 296672049 FXMJBMYMCBHNBY-MRXNPFEDSA-N 286.400 3.891 30 20 CHED Cc1ccc2cc(C(=O)/C=C\c3cn(C(C)C)nn3)oc2c1 806572574 KDFQNYYLAQWEFG-SREVYHEPSA-N 295.342 3.810 30 20 CHED C=C(CC)CNCc1cn(C)nc1-c1cc2ccccc2o1 648840080 ZOJWENUMCBNHME-UHFFFAOYSA-N 295.386 3.889 30 20 CHED CCCN(CCO[C@@H](C)C#N)[C@@H](CC)c1ccccc1 801913207 ABTITOILZGGVJD-RDJZCZTQSA-N 274.408 3.778 30 20 CHED C(CCc1ccccc1)=NNc1nccnc1C1CCC1 807993640 BTWKZTNZEMQELM-UHFFFAOYSA-N 280.375 3.775 30 20 CHED C=C(C)CNC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 488575716 UKQAERUBNGVNOF-INIZCTEOSA-N 290.382 3.932 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 642003743 JIFFOUBTQIEBLG-CKEIUWERSA-N 287.403 3.806 30 20 CHED CCc1nocc1COc1c(C)cc(Cl)cc1C#N 563415176 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C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(OC)c1 488872347 AGIUYMYYFBXEOB-GFCCVEGCSA-N 279.767 3.529 30 20 CHED Cc1ccc(CCCCC(=O)N[C@]2(C#N)CC2(C)C)cc1 484908674 LRSIDMFINSFMEJ-SFHVURJKSA-N 284.403 3.516 30 20 CHED Cc1cccc(NN=Cc2cnn(-c3ccc(F)cc3)c2)c1 728172297 AWEQSOULAAKULL-UHFFFAOYSA-N 294.333 3.766 30 20 CHED C=C[C@@H]1CCCCN1Cc1ncccc1C(F)(F)F 489504179 ZZNAAQVISDSQJG-LLVKDONJSA-N 270.298 3.641 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1nccc2ccccc12 811698083 HNZGARLCUIVZJQ-BQYQJAHWSA-N 291.354 3.908 30 20 CHED C=CCCCCCCCNC(=O)NC1CC=CC1 811892981 BQLOUEMREQGSAT-UHFFFAOYSA-N 250.386 3.531 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC[C@H]1CCO[C@H](C)C1 657971884 SQCIRQIFKMSWSV-TWMKSMIVSA-N 265.441 3.916 30 20 CHED C#CCC1(OC(=O)c2ccc3c(c2)CCCCC3=O)CCC1 810752047 QRXIGFFOUSFLIL-UHFFFAOYSA-N 296.366 3.699 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](c1cccs1)C(CC)CC 812010457 JVZWDPCZHMZKDO-WFASDCNBSA-N 292.448 3.889 30 20 CHED CCCc1nc(C)c(CNc2cc(C#N)ccc2C(C)=O)o1 813634657 CJTWDHUUMWEGBI-UHFFFAOYSA-N 297.358 3.622 30 20 CHED Cc1ncccc1/C=C1\Cc2c(Cl)cccc2C1=O 728787525 NSGOJZICQXTHHZ-XYOKQWHBSA-N 269.731 3.866 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 729073293 OEJNDHGVWOFQRT-NSHDSACASA-N 268.740 3.535 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@@](C)(C#N)C2CCCCC2)C1 571706260 YTIOMWASFBXILF-KEYYUXOJSA-N 276.424 3.791 30 20 CHED C[C@@H]1CCCCC1=NNCCCOc1ccccc1 729147934 OKWKNPBULXYRSH-CQSZACIVSA-N 260.381 3.611 30 20 CHED CN1CCN(CCCCC(C)(C)C#N)CC12CCCCC2 577884171 DVCHWEGLSWKTAJ-UHFFFAOYSA-N 291.483 3.657 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 573753333 XGRWXPZMXUPWRA-NFAWXSAZSA-N 288.391 3.653 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2ncc3c(c2C#N)CCC3)o1 576579014 XEHLRQHTODURFV-IAQYHMDHSA-N 293.370 3.770 30 20 CHED CCN(C(=O)C(F)(F)CC)[C@H](C)c1ccc(C#N)cc1 823316799 CMBMPAYNRWOJEE-LLVKDONJSA-N 280.318 3.513 30 20 CHED C#CCCOC(=O)Cc1coc2cc(C)c(C(C)C)cc12 727041199 HYOJRCLKQJOOKA-UHFFFAOYSA-N 284.355 3.974 30 20 CHED C=CCCNC(=O)Nc1ccc(Cl)cc1OC(F)F 666717113 VGBXYDWXONTQQI-UHFFFAOYSA-N 290.697 3.639 30 20 CHED Cc1ccc(NN=C2CC[C@H]3CCCC[C@@H]3C2)nn1 729935855 SXQBYKGKJIEREI-CHWSQXEVSA-N 258.369 3.543 30 20 CHED C=CCCOC(=O)c1ccccc1COc1ccccc1 729072213 BHEIOEIUFOTREE-UHFFFAOYSA-N 282.339 3.999 30 20 CHED C#Cc1cccc(NC(=O)/C=C(\C)c2ccccc2OC)c1 727301788 ZRYGIDJKINGKMQ-WYMLVPIESA-N 291.350 3.719 30 20 CHED CC(C)C#CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 820010197 CCUUFZNNXNPBFI-AWEZNQCLSA-N 298.411 3.619 30 20 CHED C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(C#N)c(F)c1 903334587 CUTNNDPFLOAQDD-KPZWWZAWSA-N 295.361 3.894 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](CC)C1CCOCC1 666238545 LJWDYSZKUXYOEZ-RBUKOAKNSA-N 287.447 3.969 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCc2ccccc21 490040629 QNZGZWWAXYRISQ-INIZCTEOSA-N 271.404 3.825 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1cncc(F)c1 588394369 MFVVFIPICRTYEP-HYXAFXHYSA-N 259.255 3.564 30 20 CHED Cc1ccc(COc2cccc(NC(=O)[C@@H](C)C#N)c2)cc1 736679343 BNTPXOZVMWVZDS-AWEZNQCLSA-N 294.354 3.672 30 20 CHED O=C(/C=C\c1cncs1)c1csc(Cl)c1 588559100 YYJJGINAGROXPD-UPHRSURJSA-N 255.751 3.754 30 20 CHED C#CCCCCC(=O)O[C@H](C)CCCc1cccnc1 835935407 SLPFLPCKCVHVEB-OAHLLOKOSA-N 273.376 3.530 30 20 CHED C=CCC1(C(=O)Oc2ccc3c(c2)CCC(=O)N3)CCCC1 835073981 PUXIXHYLYKXYGI-UHFFFAOYSA-N 299.370 3.613 30 20 CHED Fc1cc(C=NNc2c(F)cccc2F)cc(F)c1F 735616119 XKWMWHQMKDVFMV-UHFFFAOYSA-N 286.203 3.828 30 20 CHED N#C[C@@H]1CCC[C@@H](NC2[C@H]3CC[C@H]2Cc2ccccc2C3)C1 588231250 WRQSVNOJJMFSQG-GRGSLBFTSA-N 294.442 3.852 30 20 CHED CC(C)(C)c1ncc(/C=C/c2nc(C#N)cs2)s1 901542979 CHXMHFUUUCZGIR-SNAWJCMRSA-N 275.402 3.939 30 20 CHED COc1cccc(/C=N\CC2(c3cccc(F)c3)CC2)c1O 739426442 MCECURGXHVOPDV-JAIQZWGSSA-N 299.345 3.691 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc(C)cs1 732898892 KOWWEIUIQFNAOX-CABCVRRESA-N 298.411 3.897 30 20 CHED C=CCCCCNc1cccc([S@](C)(=O)=NC)c1 902142088 FMKAFNVYPIHLIK-SFHVURJKSA-N 266.410 3.541 30 20 CHED Cc1ccc(C=NNc2oc(C(C)C)nc2C#N)cc1F 731486633 RJYYFPUZIQYBAS-UHFFFAOYSA-N 286.310 3.563 30 20 CHED CC(C)Oc1ccc(NC(=O)CCCC2CC2)cc1C#N 589707961 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N#C[C@@H]1CCC[C@H](OC(=O)Cc2ccccc2Cl)C1 839043148 KDBSIBPMSAZQGB-YPMHNXCESA-N 277.751 3.508 30 20 CHED C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)C(C)(C)C 593721947 OKLUGNNINJORRH-OAHLLOKOSA-N 299.462 3.547 30 20 CHED CCCCCCCOC(=O)[C@@H](C)Oc1ccc(C#N)cc1 918492897 CSPFUZMYPXIGKC-CQSZACIVSA-N 289.375 3.839 30 20 CHED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1cccnc1 590132283 QAASTBDZNLDBGQ-GFCCVEGCSA-N 280.375 3.819 30 20 CHED CCc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1 916245064 RLKNIWMQRHBHKU-UHFFFAOYSA-N 269.304 3.603 30 20 CHED CCC(=NOCc1cccnc1)c1ccc(CC)cc1 746587988 IANZUVXMNXPNSR-UHFFFAOYSA-N 268.360 3.975 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 595438872 ITOQJZKTYWGUFH-WBVHZDCISA-N 299.418 3.863 30 20 CHED C[C@H](C#N)N(Cc1ccccc1OCC(F)(F)F)C1CC1 595719943 BVDLSTRSISSNHM-LLVKDONJSA-N 298.308 3.504 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 675933329 BMVQAEOLROCBHU-KGLIPLIRSA-N 252.361 3.974 30 20 CHED Cc1ncsc1/C=C\C(=O)c1ccc(F)c(F)c1 742432454 YQLBWAZSYPFWKK-PLNGDYQASA-N 265.284 3.626 30 20 CHED CCSc1ccc([C@@H](C)NC(=O)[C@H](C#N)CC)cc1 593454041 UXAJQCBBBSJTPF-NEPJUHHUSA-N 276.405 3.526 30 20 CHED CCOc1cc(C=NNc2ccc(C)cc2)ccc1O 916250479 HQYNXTJBOMYHGW-UHFFFAOYSA-N 270.332 3.545 30 20 CHED N#CC1(CC(=O)OC[C@@H]2CC2(Cl)Cl)CCCCC1 849905333 RXYBPKABULATBZ-JTQLQIEISA-N 290.190 3.588 30 20 CHED COc1ccc(NC(=O)NCCCCC#N)c2ccccc12 599898153 BARPWNKQUIYKFP-UHFFFAOYSA-N 297.358 3.664 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H]2CCC[C@H]2C2CC2)cc1 840954308 GVKAXGIVPDASNL-BJZITVGISA-N 298.430 3.893 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc2c1CCC2 593622637 ZTWXYUHAIXCCBR-FQEVSTJZSA-N 288.394 3.824 30 20 CHED CCC[C@H](C/N=C\c1c(O)ccc2ccccc12)OC 840705169 CETBBOWVOSBHCN-IIMQCXAKSA-N 271.360 3.779 30 20 CHED N#CCCOc1ccc(-c2ccc3c(c2)CCCO3)cc1 596637194 TULDEHQFGJFOLU-UHFFFAOYSA-N 279.339 3.971 30 20 CHED C=CCCCCNC(=N)Nc1cccc2c1CCCC2 849089141 AEBMTXFNQHOXPL-UHFFFAOYSA-N 271.408 3.858 30 20 CHED CC(C)[C@@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 596224300 ZWDXRMONNIAOPI-SECBINFHSA-N 269.801 3.541 30 20 CHED C#C[C@@H](OC(=O)C1(C)CCCC1)c1ccc(F)cc1 842412796 QEIDYAOVLRTYKO-CQSZACIVSA-N 260.308 3.624 30 20 CHED C=C(C)CNC(=S)N[C@H](CC(C)C)c1ccccc1 917049155 MZKRTMYWZVJDLT-OAHLLOKOSA-N 276.449 3.814 30 20 CHED C#CCN(Cc1cccc(C)n1)[C@@H]1CCc2ccccc21 745983076 DJWMDJCWBAKUOV-LJQANCHMSA-N 276.383 3.513 30 20 CHED Cc1cc(F)ccc1/C=C1/Oc2ccccc2C1=O 742436792 NTNDFVRQCMWVQB-OQLLNIDSSA-N 254.260 3.750 30 20 CHED C=CCN(C(=O)N[C@@H](CCC#N)c1ccccc1)C(C)C 749219993 HAZOMRWSSRXEAA-INIZCTEOSA-N 285.391 3.637 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(F)cc1F 743449676 CZWKDSZADHQGAV-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=CCN(C(=O)Cc1coc2cc(F)ccc12)C(C)C 748537810 GXMYRTZUIAHJOK-UHFFFAOYSA-N 275.323 3.537 30 20 CHED CCCOc1ccc(CNCc2cc(C#N)ccc2F)cc1 742381703 DRNDEXRCVKNEOI-UHFFFAOYSA-N 298.361 3.776 30 20 CHED C=C(C)C/N=C(/NCc1ccc(C)cc1C)NC(C)(C)C 912498782 HFTAYGIQKAAKKL-UHFFFAOYSA-N 287.451 3.713 30 20 CHED C#CCCCCCCOC(=O)c1cnc2n1[C@H](C)CCC2 845586215 OINVMTAAHPQVMT-CQSZACIVSA-N 288.391 3.521 30 20 CHED C=CC[C@H]1CCCN(C(=S)Nc2ccc(Cl)nc2)C1 849279807 HUWRZJDGZWERHE-NSHDSACASA-N 295.839 3.720 30 20 CHED CC[C@H](C)C[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O 743041700 BZWAIPJRHFAIFJ-DNNIXFFWSA-N 264.325 3.544 30 20 CHED CCCC[C@@H](C(=O)N(C)c1ccc(C#N)cc1)C(C)C 598814942 NLNWVKZTNFQRMI-MRXNPFEDSA-N 272.392 3.983 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCCC1 918000387 RDCWDYGRHOCNIS-CQSZACIVSA-N 254.418 3.788 30 20 CHED C=CCN(Cc1cccs1)Cc1oc(C)nc1C 685560749 AFFUHYARDWBLND-UHFFFAOYSA-N 262.378 3.541 30 20 CHED C[C@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)c1ccco1 598886451 FHMJSDMRHXGRAE-ZDUSSCGKSA-N 294.354 3.840 30 20 CHED CCC(C=NNc1oc(CC(C)C)nc1C#N)CC 745613278 DAOQFOYXTZZAEH-UHFFFAOYSA-N 262.357 3.579 30 20 CHED C=CCSc1nc2ccccc2n1CN(C)CCC 746075072 ZPYCPHHKKUFNQN-UHFFFAOYSA-N 275.421 3.614 30 20 CHED CC(C)CCOc1ccc(NC(=O)CCCC#N)cc1F 594177168 YNTTZEDSIKDOBZ-UHFFFAOYSA-N 292.354 3.883 30 20 CHED N#CCCCCNc1nc2ccccc2n2cccc12 596108942 YZTVUYDOKWZTOE-UHFFFAOYSA-N 264.332 3.593 30 20 CHED C=CCc1cc(C=NNc2ccccc2)cc(OC)c1O 747039780 CPFPUAYSRAFVDX-UHFFFAOYSA-N 282.343 3.575 30 20 CHED CC1(C)CC(=NNc2ccc(Cl)nn2)c2ccccc21 920359284 WYGBFZFJHPTLGQ-UHFFFAOYSA-N 286.766 3.628 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](CN(C)CCC)C1 742882138 PXYIZHNKWJDFNQ-INIZCTEOSA-N 282.472 3.537 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)c1 844257003 ITFKDYTUOMBFIM-SWLSCSKDSA-N 272.417 3.533 30 20 CHED COCc1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1 741841612 MRCZPQDPDLUEIY-RIYZIHGNSA-N 298.313 3.631 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cccc2c1OCC2 921980742 NWYYJPNOKXDKRA-CYBMUJFWSA-N 294.354 3.524 30 20 CHED C=CCC[C@H](NC(=O)c1nccs1)c1ccccc1 683561710 QVBDZNATYRZGIC-ZDUSSCGKSA-N 272.373 3.580 30 20 CHED Cc1ccc([C@H](NCC(C)(C)C#N)c2ccccn2)cc1 926874989 VSFFWEMSBSOCBT-KRWDZBQOSA-N 279.387 3.619 30 20 CHED CCCCCCCCCN(C)C(=O)NC[C@H]1CCCCO1 920349906 XNCXEXZZRVKBQB-MRXNPFEDSA-N 298.471 3.948 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCc1cccnc1 851143907 OLNPEXCSSRXZNO-CVEARBPZSA-N 273.376 3.692 30 20 CHED CC#CCCNC(=O)/C=C\c1cccc(OC2CCCC2)c1 756152355 LTXWSYLQDVXESA-SEYXRHQNSA-N 297.398 3.551 30 20 CHED COc1ccc(/C=C\C(=O)c2coc(C(C)C)n2)cc1C#N 752888533 MEAWMPBMTOHXOT-XQRVVYSFSA-N 296.326 3.574 30 20 CHED C[C@@H]1CCC[C@H](CCON=C2CCC3(CC2)OCCO3)C1 756864609 UWCYBEVVFSAHCO-HUUCEWRRSA-N 295.423 3.893 30 20 CHED C=CCN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(C)C 754455702 ZVHQJCBIPFLJMU-UHFFFAOYSA-N 291.351 3.640 30 20 CHED CCOc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1 921266807 SOAGCTSCUYMAAQ-RAXLEYEMSA-N 298.313 3.883 30 20 CHED CCSc1cccc(/C=C2/CCn3nccc3C2=O)c1 853008971 BXOPJGQMIKQYJP-RAXLEYEMSA-N 284.384 3.665 30 20 CHED C=C[C@H](CC)CC(=O)NCc1ccccc1OC(F)F 929621505 FSILCYXRUQLSHG-LLVKDONJSA-N 283.318 3.507 30 20 CHED C#CC[C@@H](Nc1ncnc2ccsc12)c1ccccc1 756952766 AZMYQNWMNLTITJ-CYBMUJFWSA-N 279.368 3.868 30 20 CHED Cc1c(NN=C[C@@H]2CC[C@@H]3C[C@@H]3C2)cccc1C(=O)O 853370621 RUFNFGOIKCRHSC-UPJWGTAASA-N 272.348 3.527 30 20 CHED CCN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H](C)C#N 856074872 DRGUQGVBNQIYLF-MNOVXSKESA-N 298.308 3.569 30 20 CHED C/C(=C/C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC1 752048797 ZVGKRCVFJJKDLQ-WMGCDEKXSA-N 294.398 3.641 30 20 CHED CC(=NNC(=S)Nc1c(C)cccc1C)c1ccoc1 755879771 MOYDAZMULVCCFZ-UHFFFAOYSA-N 287.388 3.607 30 20 CHED C#CCOC(=O)C1(Sc2ccc(C)cc2)CCCC1 750974168 UVYMELQIFYZXMP-UHFFFAOYSA-N 274.385 3.576 30 20 CHED C[C@@H]1CC(=NOc2ccccc2C(F)(F)F)CN1C1CC1 754712710 QKYBSDSICWSBSN-SNVBAGLBSA-N 298.308 3.697 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)nc2)C1 855438842 PRAHTSHXKMIRMZ-LEJCZOIISA-N 290.794 3.563 30 20 CHED Cc1c(C(=O)/C=C\c2cc(C#N)cs2)cccc1[N+](=O)[O-] 756777378 IKLBHMZHRNBWSE-WAYWQWQTSA-N 298.323 3.733 30 20 CHED C=CCC[C@H](NCc1c(Cl)oc2ccccc12)C(=O)O 756382031 XZNSMZDHLZYKAU-LBPRGKRZSA-N 293.750 3.595 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 752882598 NNANUZJBWRITOE-TWGQIWQCSA-N 285.274 3.938 30 20 CHED CC1(C)CCC[C@@H](C(=O)OCc2cccc(C#N)c2)C1 756266928 IEXNQCOQMIOZLF-OAHLLOKOSA-N 271.360 3.818 30 20 CHED C[C@@H]1C(=NNc2ccc(F)c(Cl)c2)CC[C@H]1CC(=O)O 863179133 PNXHOIQYUIADHW-IUCAKERBSA-N 298.745 3.768 30 20 CHED CCCCCCC[S@@](=O)Cc1cccc2c1CCOC2 864482811 HLHGPHMGEIOLOC-HXUWFJFHSA-N 294.460 3.978 30 20 CHED C=CCn1c(SCOC2CCCCC2)nnc1C1CC1 865345365 RNBOVUNDNVNXFQ-UHFFFAOYSA-N 293.436 3.740 30 20 CHED N#Cc1ccc(OC(=O)Cc2cc3ccccc3o2)c(F)c1 769738651 MKCQLUDXOFBYRT-UHFFFAOYSA-N 295.269 3.592 30 20 CHED C#Cc1cccc(NC(=S)N2CCc3cccc(F)c32)c1 768472209 IHSMKKORZAIRMH-UHFFFAOYSA-N 296.370 3.567 30 20 CHED Cn1cnc2cc(CNc3ccc(C#N)cc3Cl)ccc21 864009058 LEMPAJCUHQYFDU-UHFFFAOYSA-N 296.761 3.710 30 20 CHED C#CC[C@@H](NC(=O)CCCCCCC(C)=O)c1ccccc1 765234052 UHNZCDFXDVXPAF-GOSISDBHSA-N 299.414 3.797 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 933660045 XGLPQGZZWYIIIK-ONGXEEELSA-N 265.319 3.682 30 20 CHED N#C[C@@H](C(=O)C1=CCCC1)c1nc2cc(F)ccc2s1 761166161 JSPOUYDDGLADAK-NSHDSACASA-N 286.331 3.722 30 20 CHED C#CC[C@H](CCOC)N[C@@H](C)[C@H](C)c1ccc(Cl)cc1 862548369 DPTPNNINCDCPOF-GRDNDAEWSA-N 293.838 3.850 30 20 CHED C=CCOc1ccc(COC(=O)[C@@H](C)C(C)C)cc1 763644208 PNKDMGNXJZRGOB-ZDUSSCGKSA-N 262.349 3.587 30 20 CHED COc1nc2ccccc2cc1/C=C\C(=O)c1ccco1 764107197 KFFQPISRCWTNAL-HJWRWDBZSA-N 279.295 3.733 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](O)c1ccccc1Cl 765064306 CPOUZOOBALCMSU-OAHLLOKOSA-N 295.810 3.578 30 20 CHED Clc1ccc2c(c1)C(=NNc1nccnc1Cl)CC2 762447399 BXYLIPYQJRRPPT-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C#C[C@@H](C)N(C)Cc1csc(Nc2ccc(C)cc2)n1 769962366 XVXZESCNVXAIIC-CYBMUJFWSA-N 285.416 3.649 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(Cl)c(Cl)c1 1116642910 DNDNDOVLAHYLJZ-MWLCHTKSSA-N 274.191 3.845 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)ccc1C#N 766492832 YKZAYHMFEAZHPQ-UTCJRWHESA-N 289.334 3.698 30 20 CHED Cc1c(Cl)cccc1CN(CCC#N)Cc1cccnc1 876527571 AVRROYZYZZILLE-UHFFFAOYSA-N 299.805 3.959 30 20 CHED CCc1ccc(C=NNc2cccc(C(F)(F)F)n2)o1 760260427 NEVBKWYSJPPBOF-UHFFFAOYSA-N 283.253 3.702 30 20 CHED CCN(C(=O)C1(F)CCCC1)c1ccc(C#N)c(Cl)c1 776335714 LNCYWZNJKVDZSM-UHFFFAOYSA-N 294.757 3.847 30 20 CHED C#CCOc1ccccc1NCc1cc(C)sc1C 775362468 UWLLFNNFGCEQPL-UHFFFAOYSA-N 271.385 3.989 30 20 CHED N#Cc1cccc(C2(NCc3cccc(Cl)c3O)CC2)c1 776253024 KRLPFNCQEOJOSJ-UHFFFAOYSA-N 298.773 3.696 30 20 CHED Fc1ccc2oc(C=NN[C@H]3C[C@H]4CC[C@H]3C4)cc2c1 774593501 OXNPZKSQPGNTIJ-PGUXBMHVSA-N 272.323 3.684 30 20 CHED C=C(C)[C@H](CC(=O)N(CCCC)c1ccncc1)OCC 876290078 YGTAAFWVTNLVJB-INIZCTEOSA-N 290.407 3.586 30 20 CHED CCCCC[C@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 775611340 RTWVTEXMPLPXIC-NSHDSACASA-N 278.783 3.910 30 20 CHED C=CCN(C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F)C(C)C 772523251 JGXBOPJDUQWNGZ-QWRGUYRKSA-N 280.334 3.569 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccccc1Cl 779737872 QXJQJTYYJLAWFM-UHFFFAOYSA-N 277.795 3.882 30 20 CHED C#CCOc1cccc(Cl)c1CNc1ncc(C)s1 777733290 ZFPIGTYBVFJDIJ-UHFFFAOYSA-N 292.791 3.729 30 20 CHED C[C@@H](C#N)Oc1ccc(C=NN[C@H]2CCCCC2(C)C)cc1 773124806 LJSSEWKTQACXQZ-YOEHRIQHSA-N 299.418 3.870 30 20 CHED Cc1ccc(NN=Cc2cccnc2N(C)C)cc1Cl 1117482673 XYAHAEJZOCLPTE-UHFFFAOYSA-N 288.782 3.555 30 20 CHED CCC(C)(C)CC(=O)OCc1cccc(C#N)c1F 774964296 UZQFCBJJJASRHA-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C#CCOc1cc(F)ccc1N[C@H](C)C1CCSCC1 779046216 SBVILVMNDVSIGB-GFCCVEGCSA-N 293.407 3.781 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1Cc1ccccc1C 773387927 CJSBKVOWSQYYQS-SFHVURJKSA-N 283.415 3.722 30 20 CHED C=CC(C)(C)CC(=O)NC1CCC(N2CCCCC2)CC1 879102649 CARNHHQESAXGHZ-UHFFFAOYSA-N 292.467 3.502 30 20 CHED CC(C)(C)C[C@@H](/N=C/c1cccc(O)c1O)C(F)(F)F 777873045 GMYZOJCUDMGYRX-SUDUWZNWSA-N 289.297 3.884 30 20 CHED C=CCC[C@H](CCC)NC[C@]1(O)CCc2ccccc21 773102426 MSFNKMRGEBIPPN-FUHWJXTLSA-N 273.420 3.545 30 20 CHED N#Cc1ccc(F)cc1COC(=O)C1=CCCCCC1 775048821 YKKXCNADRJQHQI-UHFFFAOYSA-N 273.307 3.631 30 20 CHED N#CCCCN[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 886588781 YPWYKXHEKVUTTB-OAHLLOKOSA-N 271.339 3.578 30 20 CHED C#CCCCCCC(=O)N1CCc2cccc(F)c2[C@@H]1C 779959567 RCIHIOSCNGUNMQ-AWEZNQCLSA-N 287.378 3.855 30 20 CHED CC(C)[C@H]1CC(=NNc2nccc3sccc23)CCO1 776767405 XWJSOXSABCNINI-CYBMUJFWSA-N 289.404 3.899 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N(C)[C@H](C)CC#N 1121188732 IPEIJWPPKRQNMZ-UKRRQHHQSA-N 252.402 3.744 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(F)cc1OC(F)F 773005650 SNQDQNYNFWTNKW-MRVPVSSYSA-N 279.689 3.830 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NOCCC(F)(F)F)o1 777460661 QLJPBWGRSCZQEC-WPRPVWTQSA-N 261.243 3.706 30 20 CHED C#CC[C@@H](N[C@H](CCCC)COC)c1ccccc1 773114308 IBZXMMABOFXWKE-IAGOWNOFSA-N 259.393 3.546 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C)c(C#N)c1 1127096649 PQDFKWQXPSSFFD-PBHICJAKSA-N 284.403 3.908 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc(F)cc1Cl 781132703 HTUXXCNXMAZYGT-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=C(CC(C)C)C(=O)N1CC2(CCC2)[C@H]1c1ccncc1 1123838762 WCDQGGGUOJJKJK-MRXNPFEDSA-N 284.403 3.738 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(C#N)ccc1F 888354374 XMWPDAWZYBFONF-IAQYHMDHSA-N 289.354 3.740 30 20 CHED C=CCc1ccc(OC(=O)c2coc(C)c2)c(OC)c1 781450950 JOYLUYFPRUZQAP-UHFFFAOYSA-N 272.300 3.544 30 20 CHED CCCCC[C@](C)(CC)C(=O)[C@@H](C#N)c1nccn1C 1122607273 XXAYBLUPJZMYGT-CJNGLKHVSA-N 275.396 3.593 30 20 CHED C[C@H]1CC[C@@H](CON=C(c2ccccc2)C(F)(F)F)O1 789084121 MPBDDZLYCQXOMC-JQWIXIFHSA-N 287.281 3.537 30 20 CHED COc1cc(C)ccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 781464952 PMWLVYGWBJDUPD-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED C#CC[C@H](C)OC(=O)c1cc(-c2ccccc2Cl)on1 1122712177 IVLOUDRHMNDLGE-JTQLQIEISA-N 289.718 3.564 30 20 CHED C=CCCCCCOC(=O)c1csc([N+](=O)[O-])c1 783024926 QCOPWOSCHGHXJA-UHFFFAOYSA-N 269.322 3.560 30 20 CHED C=CCC1(C(=O)Nc2c[nH]c3ccccc23)CCC1 888115376 RLYAGMFEHXVVCV-UHFFFAOYSA-N 254.333 3.853 30 20 CHED COc1ccc(NN=C2CCC[C@@H](C(F)(F)F)C2)nc1 783524881 UKLCVOWGCIEFDT-SECBINFHSA-N 287.285 3.611 30 20 CHED Cc1cc(C)c(COC(=O)c2cccc(C#N)c2)c(F)c1 785923585 NIDCRPTXERQHOF-UHFFFAOYSA-N 283.302 3.671 30 20 CHED N#Cc1ccc(C(=O)N(CC(F)F)c2ccccc2)s1 1126799692 PYGBNKNRJAOVRG-UHFFFAOYSA-N 292.310 3.532 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N(CC#N)c1ccccn1 892473595 XOKHUBXZDSPOMK-OAHLLOKOSA-N 285.391 3.711 30 20 CHED Oc1ccc(Cl)cc1/C=N\C[C@H]1CCCCS1 783682468 VUEJNKAGOZJUDA-PWDRSIHYSA-N 269.797 3.750 30 20 CHED CCCCCCCCCN(C)C(=O)NC[C@H](C)C#N 781945313 SVZLAPPEITXNIN-CQSZACIVSA-N 267.417 3.538 30 20 CHED Cc1cccc(C)c1NC(=S)N1CCC(CC#N)CC1 781543124 HGXGIQJJUJMYME-UHFFFAOYSA-N 287.432 3.626 30 20 CHED Cc1cc(C=NNc2c(C)cccc2F)cc(Cl)n1 788723171 PARVQBYNFKURDQ-UHFFFAOYSA-N 277.730 3.937 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C(\C)Cc1ccccc1OC 785854880 QESFIXXXJIPLDG-ZWKQNVPVSA-N 299.414 3.751 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1cccc(C)c1 899340670 IPVJJLLJDWEOFX-HJWRWDBZSA-N 255.317 3.750 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NNC2CCCCC2)c1 786042026 GXZLBULDKRYKPF-UHFFFAOYSA-N 282.391 3.641 30 20 CHED C=C1CCC(C(=O)Oc2ccc(CCC(C)=O)cc2)CC1 892441773 NRQRAVHDBJCQRC-UHFFFAOYSA-N 286.371 3.860 30 20 CHED CCC[C@H](C)C(CC)=NNCCC(=O)OC(C)(C)C 783863079 JULQNIXQYANQOG-LBPRGKRZSA-N 270.417 3.510 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc2ncsc2c1 1136510711 IMJXJCZQTLSCFF-UHFFFAOYSA-N 293.351 3.615 30 20 CHED CCc1ccc(NC(=O)Nc2cc(C#N)ccc2F)cc1 1202940649 RWHIDIPHFCKDGS-UHFFFAOYSA-N 283.306 3.904 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc3c2OCCO3)oc1C 799897513 PWKSKSGWALXTTP-SREVYHEPSA-N 284.311 3.564 30 20 CHED CC(C)(C#N)c1ccc(C(=O)O[C@H]2C=CCCC2)cc1 796040897 UWOSIHNDVDRTMM-HNNXBMFYSA-N 269.344 3.753 30 20 CHED C=C(CO)C(=O)Nc1ccccc1Oc1c(C)cccc1C 791335745 IHWFQJCLMDWEPD-UHFFFAOYSA-N 297.354 3.583 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 791068429 UGCZLVIBMDMYCT-HOTGVXAUSA-N 286.419 3.808 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CCCCCCC1 797877920 GKJBHGPEPFYYFG-HOCLYGCPSA-N 251.414 3.670 30 20 CHED C=C(CNC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1211226347 MHPAQPCJAZRXSL-LAQRGFTBSA-N 298.430 3.824 30 20 CHED COc1cccc(NN=C2CCC[C@@H](c3cccnc3)C2)n1 799884136 FQHGDNJIEHZRSJ-CYBMUJFWSA-N 296.374 3.611 30 20 CHED Cc1oncc1CNc1c(C#N)cnc2c(Cl)cccc12 1164227135 ZKWKHOZWMPSTCZ-UHFFFAOYSA-N 298.733 3.668 30 20 CHED C[C@H](Cc1ccccc1Cl)NCc1ccc(C#N)s1 135680026 YBZLGHCPQUCGQQ-LLVKDONJSA-N 290.819 3.994 30 20 CHED CC1(C)CC[C@@H](C(=O)Nc2ccc(Cl)c(C#N)c2)C1 513720675 NDYRIYFQJUXOMH-SNVBAGLBSA-N 276.767 3.976 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)OC2CCCCC2)c1 1324951246 WCUSRAFPQGJJDV-ZDUSSCGKSA-N 286.375 3.543 30 20 CHED CC[C@H](Nc1cccc(CC#N)n1)c1ccc(F)cc1 1320365085 WTILMHYTBFYNMJ-HNNXBMFYSA-N 269.323 3.850 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ncc(Br)cc1F 187345551 VYNGVCGHLPJEFC-RKDXNWHRSA-N 287.176 3.598 30 20 CHED CO[C@]1(C)CCCN(c2cc(Cl)ccc2C#N)CC1 280313657 SMBZBDWWFBLFTJ-OAHLLOKOSA-N 278.783 3.607 30 20 CHED N#CCC1(CNc2c(F)cc(Cl)cc2F)CC1 594702624 KMBUYRQBEFPQNE-UHFFFAOYSA-N 256.683 3.724 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C1(C(F)(F)F)CCCCC1 596826314 MQKNKZOHQWPUPG-LLVKDONJSA-N 290.329 3.507 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1csc(C#N)c1 1328840154 JBMJHEFDDVDGHP-UHFFFAOYSA-N 264.394 3.564 30 20 CHED C=CCCCCNC(=S)Nc1cccc(F)c1F 1320451857 UPKRHUWHBRVGJH-UHFFFAOYSA-N 270.348 3.608 30 20 CHED C[C@H]1CCCC[C@H]1c1nnc(-c2ccc(C#N)cc2)o1 1327353377 JGIBCSDFWPMDHH-SMDDNHRTSA-N 267.332 3.902 30 20 CHED C=CC[C@@H]1CCCC[C@H]1Nc1ccc(C(=O)O)c(C)n1 692273305 RPHLOCPIGOUAFD-TZMCWYRMSA-N 274.364 3.635 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(C2CCCCC2)CC1 767055055 SGDKHLCLNKKSLP-UHFFFAOYSA-N 275.436 3.855 30 20 CHED C=CCC1(NC(=O)Cc2sc(C)nc2C)CCCCC1 1332496608 FNZWADIOAGDRTN-UHFFFAOYSA-N 292.448 3.698 30 20 CHED C=C[C@H](CC)CC(=O)OCCC(F)(F)C(F)(F)F 1263610748 ZEQHWYBVMWZBLS-MRVPVSSYSA-N 274.229 3.720 30 20 CHED CC(C)CC[C@H]1CCC(=NNCC2CCOCC2)C1 1344440007 ZGJKGZWJXUGRRF-AWEZNQCLSA-N 266.429 3.595 30 20 CHED C=CCOCCS[C@@H]1CCc2c(F)cccc21 1345180457 QZZOONGVCDBXSX-CQSZACIVSA-N 252.354 3.749 30 20 CHED C[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)c1cccc(F)c1 1346719679 BTRJIBZHRCGKRE-ABAIWWIYSA-N 287.290 3.720 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CC/C=C\c1ccccc1 1349908146 XBJCIDMPEKPPRB-LJEUOOAZSA-N 270.376 3.631 30 20 CHED Cc1ccc2[nH]c(C(=O)O[C@@H](C)CC#N)c(Cl)c2c1 1263290679 ZOWIQCCGXHGEAY-VIFPVBQESA-N 276.723 3.589 30 20 CHED CCCC[C@H](C)N(C)C(=O)[C@H](CC#N)c1ccccc1 1274864014 YQMJFHQTEUHCFX-GOEBONIOSA-N 272.392 3.721 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)CC2(C#N)CCCCC2)C1 1351279872 YCJKBGBNPBUQOZ-ZIAGYGMSSA-N 263.381 3.972 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ncc(Cl)cc2Cl)C1 1518247036 BGEURTHMSJRVNJ-WCBMZHEXSA-N 299.157 3.628 30 20 CHED N#Cc1cc(N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)ccn1 1458370468 QVMYUAYBNSYUJO-IPMKNSEASA-N 289.382 3.726 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 1467664211 AEPFFNJAJIPWAF-CYBMUJFWSA-N 295.342 3.671 30 20 CHED C=CC[C@H](CC)N[C@H](C(=O)O)c1c(F)cccc1Cl 1609290787 XQUOFLHVVYMAPZ-ZANVPECISA-N 285.746 3.549 30 20 CHED Cc1ccc(S[C@@H](C(=O)O)c2ccc(C#N)cc2)s1 1607821912 CRRHUCVIGBMFCN-CYBMUJFWSA-N 289.381 3.846 30 20 CHED Cc1cc(NC(=O)C(CC(C)C)CC(C)C)ncc1C#N 1530657409 UKOLHXFHPOPGKB-UHFFFAOYSA-N 287.407 3.909 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 1473842977 JUYREGUMJNUJKE-WZGPROSRSA-N 280.415 3.735 30 20 CHED C[C@@H](Sc1ccc(Cl)cc1C#N)c1csnn1 1559379131 FJZGQKJSZBEJLH-SSDOTTSWSA-N 281.793 3.916 30 20 CHED COc1cccc(CN2CCCC(C)(C)[C@H]2C#N)c1Cl 1559813132 VQDVYLHPZKXPSC-CQSZACIVSA-N 292.810 3.863 30 20 CHED CCc1cccc(N(C)C(=O)c2cccc(F)c2C#N)c1 1638641853 PJAUFJHLBKLVGJ-UHFFFAOYSA-N 282.318 3.536 30 20 CHED C[C@@H]1CCC[C@@H](Nc2ncc(C#N)cc2Br)C1 1639264567 HAFSQYZDJWQZGF-MWLCHTKSSA-N 294.196 3.706 30 20 CHED CCCN(CC)c1cc(C)c(C#N)c2nc3ccccc3n12 1639558156 HPCVJVRFJNFLNY-UHFFFAOYSA-N 292.386 3.904 30 20 CHED N#Cc1ncccc1SCc1ccc(F)c(F)c1 1641128660 ZJAVMBQJGPXMJV-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccsc2C#N)CC1 1585597283 PUUIAUICZRNUFP-OLZOCXBDSA-N 290.432 3.954 30 20 CHED CC[C@@H](C)[C@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1 1655161135 WTHOOUFPLYAAJA-OLZOCXBDSA-N 296.374 3.987 30 20 CHED Cc1cc(N2CC[C@H](C)[C@@H]3CCCC[C@H]32)ncc1C#N 1650801561 RMKXFYZNQJIKHN-VBNZEHGJSA-N 269.392 3.667 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1c1ccnc(C#N)c1 1652034085 BRAPPDSNDZTAQL-KRWDZBQOSA-N 277.371 3.912 30 20 CHED CSc1ccccc1C(=O)Nc1nc(C)cc(C)c1C#N 1587096337 HWIGTDQWSYBHSZ-UHFFFAOYSA-N 297.383 3.544 30 20 CHED Cc1c(F)cccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1584415072 INSANMNNKZMTMJ-CYBMUJFWSA-N 296.345 3.839 30 20 CHED CCCCCCCC(=O)Nc1cc(OC)ccc1N 109201034 GFWQUYYTNMHFLP-UHFFFAOYSA-N 264.369 3.576 30 20 CHED COc1cc(C)ccc1/C=C/C(=O)c1cccc(C(=O)O)c1 1777280885 YATAEFYLHARTLK-CMDGGOBGSA-N 296.322 3.598 30 20 CHED C=CCCC[C@H](NCc1cccc2cc(C)oc12)C(=O)O 1776207395 YVKGAAQJGYTRAA-HNNXBMFYSA-N 287.359 3.640 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCC1(C(F)F)CC1 1776782331 JIVCYAYMPBMGCW-GFCCVEGCSA-N 291.382 3.825 30 20 CHED Cc1ccc2c(c1)CCCN2Cc1cc(C#N)ccc1F 11193059 MDQWXTGYVXUQFG-UHFFFAOYSA-N 280.346 3.959 30 20 CHED N#Cc1ccccc1NCc1ccc(Br)s1 19921824 AUNPGGLTGPVGGU-UHFFFAOYSA-N 293.189 3.994 30 20 CHED N#CCc1cccc(C(=O)N[C@@H]2CCCc3sccc32)c1 160441485 LMBVZMSNGWCOBJ-OAHLLOKOSA-N 296.395 3.622 30 20 CHED C[C@H]1OCC[C@@H]1SCC#Cc1cccc(Cl)c1 163877989 UXTPHFTTXLOOQR-RISCZKNCSA-N 266.793 3.602 30 20 CHED C[C@@H]1CC(Nc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 165407250 IFXDTFATVBDIFC-NXEZZACHSA-N 298.308 3.945 30 20 CHED CCC1(C(=O)[C@H](C#N)c2nc3ccccc3n2C)CCCC1 151040618 OWEALLVMNJCTKE-ZDUSSCGKSA-N 295.386 3.720 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 152829306 FVNRMDXGNHDHJH-CMPLNLGQSA-N 292.329 3.535 30 20 CHED C=CCCNc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 157168952 DKJFIVSLFRPTQV-OAHLLOKOSA-N 286.419 3.998 30 20 CHED CCc1c(C)sc(NC(=O)c2cc(C)c(C)o2)c1C#N 155272054 QJIIBJLALHBJDJ-UHFFFAOYSA-N 288.372 3.953 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCCC1)c1cccc(F)c1F 155746803 PXEROEAKGSVNAP-LLVKDONJSA-N 292.329 3.616 30 20 CHED CCCCc1ccc(NC(=O)N[C@@H](CC)CC#N)cc1 155448326 VHXRXXZFVACORE-AWEZNQCLSA-N 273.380 3.843 30 20 CHED Cc1cc(=N[C@@H]2CCC[C@@H](C(C)C)CC2)c(C#N)c[nH]1 1650991440 RNQHSWRZFUTJIO-GDBMZVCRSA-N 271.408 3.700 30 20 CHED N#Cc1cccc(CNc2ccc(Cl)c(Cl)c2)n1 1664275475 SGAQSEAGXBUSPY-UHFFFAOYSA-N 278.142 3.872 30 20 CHED COc1ccc(CNc2ccc(C#N)cc2Cl)cc1F 227692444 CGVAVOUABRSYCT-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#Cc1ccc(CNc2ccc(-c3cnco3)cc2)s1 119770416 MNUCKBMLPYPGLP-UHFFFAOYSA-N 281.340 3.887 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 122231762 MQBSMADHSYFURQ-JTQLQIEISA-N 286.297 3.786 30 20 CHED C=CCCOCCNC[C@H](c1ccccc1)C(C)C 232747826 LMECRQXTFLDQJQ-KRWDZBQOSA-N 261.409 3.609 30 20 CHED COc1cc(CNc2ccc(Cl)c(F)c2)ccc1C#N 234904093 ZAXPIKRGUIPIBJ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#Cc1cc(COc2ccc(Cl)cc2C=O)ccc1F 158476567 YKWCSEQHCKIUOH-UHFFFAOYSA-N 289.693 3.742 30 20 CHED N#CCCCCNC(=O)Nc1ccccc1C(F)(F)F 70940797 XUVOJHQSCSYTEY-UHFFFAOYSA-N 285.269 3.521 30 20 CHED Cc1cc(NCc2ccc(Cl)s2)cc(C#N)n1 308272346 DMADSJJSNCKZEK-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CCc1nc(C#N)cc(Oc2cc(Cl)ccc2C)n1 308272682 RKVHPFHHANGFNC-UHFFFAOYSA-N 273.723 3.665 30 20 CHED CCc1ccc(NC(=O)C2(C#N)CCCC2)cc1C 311378123 JIIYTTOOEYYVBI-UHFFFAOYSA-N 256.349 3.580 30 20 CHED Cc1nc(N(C)[C@@H]2CCC[C@H](C)C2)c(Cl)cc1C#N 311555732 JRMBGXXOYIKYTO-GXFFZTMASA-N 277.799 3.930 30 20 CHED C#C[C@@H](NCc1ccc2cc(OC)ccc2c1)C(C)C 312162551 SCFZBOOQVYJOOH-GOSISDBHSA-N 267.372 3.596 30 20 CHED Cc1nc(N(C)[C@H](C)C2CCC2)c(Cl)cc1C#N 325206493 KXKPLQPUJLFSPC-SNVBAGLBSA-N 263.772 3.540 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1noc(C2CCC2)n1 625380239 AQTDIVLOUWLHFT-UHFFFAOYSA-N 297.402 3.915 30 20 CHED Cc1c(C(=O)NCC(C)(C)C#N)oc2ccc(Cl)cc12 335791052 HONUIMAPIIQXJP-UHFFFAOYSA-N 290.750 3.674 30 20 CHED CCc1cc(C(=O)Nc2sccc2C#N)sc1C 335912783 IJOYDUDMMLZDIC-UHFFFAOYSA-N 276.386 3.804 30 20 CHED CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(OCC#N)cc1 388693784 LPLYLRPTRYPJPO-CKEIUWERSA-N 272.392 3.818 30 20 CHED CCCCC[C@H](C)Nc1ncc(C#N)cc1Cl 734141052 CLTHHZUODAYDOK-JTQLQIEISA-N 251.761 3.987 30 20 CHED C=C(C)CNCc1ccc(NC(=O)OC(C)(C)C)cc1 877461528 BYQCFYLESBSJRK-UHFFFAOYSA-N 276.380 3.699 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=S)NC(C)(C)C 794994830 ILHCJDYPECBWNZ-UHFFFAOYSA-N 276.449 3.738 30 20 CHED N#CCC[C@@H](C#N)CSc1ccc2ccccc2n1 7032028 YCRZDAXBJYZDHH-LBPRGKRZSA-N 267.357 3.770 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1 14202517 JJCBSVVFOAXJDM-WEVVVXLNSA-N 293.366 3.584 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 22761079 ZDWGDWHDLJZAMT-UHFFFAOYSA-N 289.256 3.939 30 20 CHED CCc1cccc(OCCOc2cccc(C#N)c2)c1 34651465 OZMWWDMNVZJJRI-UHFFFAOYSA-N 267.328 3.578 30 20 CHED COc1cccc(SCCOc2ccc(C#N)cc2)c1 34652797 NVIBOLXUVYUVAJ-UHFFFAOYSA-N 285.368 3.738 30 20 CHED N#Cc1ccc(F)c(CNc2ccc(OC(F)F)cc2)c1 36904915 WUUDARIWPSWHFM-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C[C@@H]1CCC[C@H](NCc2cccc(OCC#N)c2)[C@@H]1C 37214797 USIMEYMCLGQEPT-CPUCHLNUSA-N 272.392 3.503 30 20 CHED C[C@H](Nc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 37298584 OGIZNGANCOVTRB-NSHDSACASA-N 267.288 3.640 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(O)c([N+](=O)[O-])c1 38709194 QRBNUCYXJXYUIV-SOFGYWHQSA-N 283.283 3.505 30 20 CHED N#C[C@@H](NC(=O)c1ccccc1Cl)C1CCCCC1 40360040 UYFHNDWQGWWWKT-CQSZACIVSA-N 276.767 3.542 30 20 CHED C[C@H](Cc1ccccc1F)Nc1snc(Cl)c1C#N 48893771 KFUARYRGDTUGFC-MRVPVSSYSA-N 295.770 3.850 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 49341052 CSTNKKKKBCNCGK-LLVKDONJSA-N 290.388 3.524 30 20 CHED O=C(/C=C/c1ccsc1)c1ccc(F)c(F)c1 57435319 SHCLUYFXFUDBKE-DAFODLJHSA-N 250.269 3.922 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccc(OCC)cc1 57740675 UJYAJZQQNSYEOI-UHFFFAOYSA-N 278.421 3.680 30 20 CHED N#Cc1ccccc1OCc1ccc(OC(F)F)cc1 60423336 FTSHVGTYGWCBIX-UHFFFAOYSA-N 275.254 3.739 30 20 CHED CCc1sc(C(=O)NC2(C#N)CCCCC2)cc1C 60855479 GVVYSGBOOYDFPG-UHFFFAOYSA-N 276.405 3.575 30 20 CHED C[C@H](Cc1ccc(F)cc1)N[C@H](C)c1cccc(C#N)c1 62050269 KYZSDYDTCQMLDD-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED C=CCOC(=O)Cc1csc(-c2ccc(Cl)s2)n1 64207717 JCGDBGDULWSFQA-UHFFFAOYSA-N 299.804 3.797 30 20 CHED Cc1ccc(C(C)C)cc1OS(=O)(=O)CCCCC#N 68870198 JGRJNDPFCIKHMY-UHFFFAOYSA-N 295.404 3.521 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccccc1[N+](=O)[O-] 72692692 QNTOPBUXBJHBCY-UHFFFAOYSA-N 289.379 3.747 30 20 CHED N#Cc1ccc(N2CCC(C(F)(F)F)CC2)cc1Cl 79031551 ZRSZYVXPVCRTJD-UHFFFAOYSA-N 288.700 3.990 30 20 CHED C[C@H]1C[C@H](Nc2c(C#N)nnc3ccccc23)CC[C@H]1C 85920679 ZGALWLXONWBILC-FRRDWIJNSA-N 280.375 3.738 30 20 CHED Cc1ncc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)c(C)n1 90664981 SOAZEACXFWOACR-KDOFPFPSSA-N 294.402 3.789 30 20 CHED CCCOc1cccc(CN(CCC#N)CC2CC2)c1 93091490 PADWAVHZSQGBLU-UHFFFAOYSA-N 272.392 3.601 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc(Cl)ccc1O 93101176 ZHGIJLUXEVBTNP-UHFFFAOYSA-N 280.799 3.807 30 20 CHED Cc1cscc1CN[C@H](C)c1ccc(C#N)cc1 94877210 PYXKHMHTWRBLHB-GFCCVEGCSA-N 256.374 3.779 30 20 CHED CCCCCCCCCNCc1c(C)nn(C)c1C 105839676 VQDLGVCHGFPWRI-UHFFFAOYSA-N 265.445 3.877 30 20 CHED CC1CCC(=CC(=O)N(C)Cc2ccc(C#N)cc2)CC1 114635866 LACIRTAVXGYZPI-UHFFFAOYSA-N 282.387 3.653 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1Cl 116850950 NGPLUTWYVJXOQM-SECBINFHSA-N 272.175 3.617 30 20 CHED C=CC[C@H](C)NC(=O)c1cnc(-c2ccccc2)s1 116859264 VFCHFQBEDODUTJ-NSHDSACASA-N 272.373 3.505 30 20 CHED C=CC[C@@H](C)NC(=O)c1cnc(-c2ccccc2F)s1 116862272 QFYIDVJCODMSFO-SNVBAGLBSA-N 290.363 3.644 30 20 CHED C=CC[C@H](C)NC(=O)N(CC)Cc1ccccc1Cl 116971761 RGLJAJZGVBHBJZ-LBPRGKRZSA-N 280.799 3.836 30 20 CHED C#Cc1cccc(N(C(=O)C[C@H](C)SC)C(C)C)c1 121155239 ZVECQHKUCDZZQF-ZDUSSCGKSA-N 275.417 3.551 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)CSc2ccccc21 121547560 YTZWUZKLBZTXBS-CQSZACIVSA-N 287.428 3.955 30 20 CHED CCOc1ccc(C(F)(F)F)cc1N[C@H](C#N)CC 122218706 ULUZTRKJMVOEBU-JTQLQIEISA-N 272.270 3.818 30 20 CHED CC[C@H](C#N)Sc1nncn1-c1ccc(C)c(Cl)c1 127215061 WOPDSJWWTJKPIG-LLVKDONJSA-N 292.795 3.623 30 20 CHED CC1(C)C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CCO1 128310637 BUTVSZISPLQHPM-LLVKDONJSA-N 298.308 3.947 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2)cccc1[N+](=O)[O-] 130125057 MAULCGXCTHJQCF-ZHACJKMWSA-N 267.284 3.799 30 20 CHED C=CCC[C@H](NC(=O)c1cscn1)c1ccccc1 134028389 FGABPNWDBHEHRV-ZDUSSCGKSA-N 272.373 3.580 30 20 CHED CC(C)(C#N)c1ccccc1Cn1ccc(C(F)(F)F)n1 134098128 XZWOMURMYSFPAU-UHFFFAOYSA-N 293.292 3.751 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@@]1(C)CC 134286485 MHTXFMCCJRIYMF-GOEBONIOSA-N 264.413 3.601 30 20 CHED N#CC1CCN([C@H]2CCc3c(Cl)cccc32)CC1 151590867 KFXWPAMMKRMDGY-HNNXBMFYSA-N 260.768 3.563 30 20 CHED Cc1ccc(C(C)C)c(OC[C@@H](C#N)CCC#N)c1 152770537 LXBGRVGFHDBOJQ-CQSZACIVSA-N 256.349 3.941 30 20 CHED CC(C)(C#N)C(=O)NCC1(c2cccs2)CCCCC1 153883973 TXGHOCSUHHIQDL-UHFFFAOYSA-N 290.432 3.616 30 20 CHED C=C(C)CNC(=O)c1cccc(N[C@H](C)C(C)C)c1C 154278928 GWWRBJXCPYOUTK-CQSZACIVSA-N 274.408 3.757 30 20 CHED COc1cccc2cc(C(=O)O[C@@H](C#N)C(C)(C)C)oc12 154282874 CMRPFNSFCLTFGI-ZDUSSCGKSA-N 287.315 3.536 30 20 CHED C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)CCC#N)C1 158791515 KLFHWMZVTCJDTJ-CVEARBPZSA-N 294.439 3.514 30 20 CHED CC(C)CCn1ccc(N[C@@H](C)c2ccc(C#N)cc2)n1 159859719 AAXZEYSSGOUWKG-AWEZNQCLSA-N 282.391 3.974 30 20 CHED N#CCc1cccc(C(=O)N[C@H]2CCCc3sccc32)c1 160441615 LMBVZMSNGWCOBJ-HNNXBMFYSA-N 296.395 3.622 30 20 CHED C=C(C)CNC(=O)C[C@H](C)Cc1ccc(Cl)cc1 161265052 PGOOLUCGGATREU-GFCCVEGCSA-N 265.784 3.601 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H]1CCc2ccccc2C1 162275526 ZDXCSBDMWRRKAA-YOEHRIQHSA-N 292.382 3.947 30 20 CHED CCN(Cc1nnc(C(C)C)o1)[C@H](C)c1ccc(C#N)cc1 171145700 VOYFWEWDJGBGAO-CYBMUJFWSA-N 298.390 3.648 30 20 CHED C=CC1CCN(C(=O)[C@H](C)CCc2cccc(F)c2)CC1 173314238 PGHHQSXFCLHNJF-CQSZACIVSA-N 289.394 3.819 30 20 CHED Cc1ncsc1CCSc1ccccc1C#N 173714390 QRRRTXJRKPAAKD-UHFFFAOYSA-N 260.387 3.658 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)c(OC)cc1OC 175158927 RIVZUJDSBGQMPJ-UHFFFAOYSA-N 283.755 3.652 30 20 CHED C=CCCCC(=O)NC[C@H](c1ccsc1)N(CC)CC 175283651 MMUXPKPHLUSLJQ-OAHLLOKOSA-N 294.464 3.604 30 20 CHED C[C@H](OC(=O)CC1CCCC1)c1ccc(C#N)cc1 175767108 NVWLBVTZYJQSPZ-LBPRGKRZSA-N 257.333 3.743 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)N(C)Cc1ccc(C#N)cc1 175824455 HMKQJXITIFZNCI-ZIAGYGMSSA-N 299.418 3.524 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccccc1CC 177866224 LEQFJRMSNUNLKM-LBPRGKRZSA-N 263.406 3.885 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C/C=C/c1ccc(F)cc1 178534853 IYDJMPWHCRWKKW-ZPUQHVIOSA-N 294.285 3.517 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1ccoc1C)c1ccccc1 179088324 JOOQQYNLZKUGNW-HNNXBMFYSA-N 283.371 3.906 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(C#N)cs1 179448348 TYGXZOVIWLTDDA-BDJLRTHQSA-N 296.395 3.673 30 20 CHED N#Cc1ccccc1Cn1nc(Cl)c2ccccc21 179634784 WIQUHTNAPNKPNC-UHFFFAOYSA-N 267.719 3.610 30 20 CHED CCCCCCNC(=O)Nc1ccccc1O[C@@H](C)C#N 180026573 LCYKNRCYBLRKGJ-ZDUSSCGKSA-N 289.379 3.679 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cccc(C#N)c1 181736293 STRGQOWXVMJOHS-OAHLLOKOSA-N 292.382 3.974 30 20 CHED COc1ccc(CCNc2ccccc2O[C@@H](C)C#N)cc1 182559995 RTZLYOFFSQLEHA-AWEZNQCLSA-N 296.370 3.641 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](C)CCCOC)c1 182702972 ITWIRYWNFKMOSX-AWEZNQCLSA-N 291.391 3.643 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)CCc1cccc(F)c1 183128030 ZYPLQVGQCMUFQH-KBPBESRZSA-N 262.372 3.628 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 183722463 CWLHLLLVZYCZMM-CVEARBPZSA-N 296.455 3.578 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC)c(OC(C)C)c1 184196442 JCGGUMRZPPBXFF-GFCCVEGCSA-N 292.379 3.569 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 184936877 HULCQFPNDHKXEQ-STQMWFEESA-N 293.357 3.883 30 20 CHED CC#CCCCC(=O)NCC1(Cc2ccccc2)CCC1 185834625 FHEZWNLUSRQGBU-UHFFFAOYSA-N 283.415 3.709 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc3ncsc3c2)C1 185891060 NPFMFBKCWCYKPH-WDEREUQCSA-N 257.362 3.791 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn([C@H](C)C2CC2)c1 186445220 OQMCZZMSOSBZGA-GFCCVEGCSA-N 273.380 3.561 30 20 CHED C=C[C@@H](C)OC(=O)CCc1c[nH]c2c(C)cccc12 187594946 UWKQNPWLWYJHGU-GFCCVEGCSA-N 257.333 3.527 30 20 CHED Cc1c(C(=O)/C=C/c2cc(O)cc(F)c2)cnn1C(C)C 188892936 ZUAJRONCKBLLCU-SNAWJCMRSA-N 288.322 3.513 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(OC)c(OC)c2)no1 191158741 JQLCFGMOSLBNBH-INIZCTEOSA-N 288.347 3.608 30 20 CHED C#CCCCC(=O)N(CC)[C@@H](CC)Cc1ccccc1 192386836 FJCZTCJLQVISMD-KRWDZBQOSA-N 271.404 3.660 30 20 CHED N#Cc1cccc(/C=C/c2ncc(Br)s2)c1 193050865 ZKYQHZPFNHGAJX-SNAWJCMRSA-N 291.173 3.948 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)nc2Cl)cc1F 194357484 AUISLASAFISMKI-UHFFFAOYSA-N 297.116 3.978 30 20 CHED C[C@@H](c1cc(Cl)ccc1Cl)N(C)CCC#N 194984901 JGPWSYNRZXBTRH-VIFPVBQESA-N 257.164 3.900 30 20 CHED N#Cc1c(F)cccc1NC[C@H](c1ccco1)N1CCCC1 198223534 POZZSRHZGDLZFL-MRXNPFEDSA-N 299.349 3.539 30 20 CHED O=C(/C=C\c1cccc2c1OCCCO2)c1ccccc1 208337785 TURDLLZNZGDIQW-KHPPLWFESA-N 280.323 3.744 30 20 CHED COc1ccccc1/C=C\C(=O)c1cccc(C)c1 210605683 OSVZYKGQTGDHDJ-KHPPLWFESA-N 252.313 3.900 30 20 CHED CC[C@@H](CC#N)N[C@H]1C[C@H](C)Sc2sccc21 216997022 DXVVCHQCGHULOY-NHCYSSNCSA-N 266.435 3.955 30 20 CHED C=CCSCCN[C@H](c1ccc(C)cc1)C1CC1 223156825 QRGNQNIOVHSXHN-MRXNPFEDSA-N 261.434 3.955 30 20 CHED CCCCCCCCC(=O)Nc1cccc(C(=O)NC)c1 247951953 MKAYKCRHXHPZNV-UHFFFAOYSA-N 290.407 3.735 30 20 CHED COc1ccc(O)c(/C=N\[C@H](CCC#N)c2ccccc2)c1 255069023 RFKPDVDRQOYPDZ-VJOZSWGJSA-N 294.354 3.865 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)c1 255440712 YCWMZHPLDLQXND-PLNGDYQASA-N 287.240 3.872 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1ccc(C)o1 255499044 FYZNQVIZNJGNNL-HJWRWDBZSA-N 272.300 3.501 30 20 CHED COc1cc(/C=C2\C(=O)c3ccccc3C2(C)C)ccc1O 255684150 FQAIFKSTLFJHEH-XNTDXEJSSA-N 294.350 3.958 30 20 CHED CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)s1 265182624 YVKOLICFFNZOOW-UWVGGRQHSA-N 299.827 3.654 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 265349335 DQGRTYMHMVHVBI-CZUORRHYSA-N 288.391 3.506 30 20 CHED CCN(c1ccc(Cl)c(C#N)n1)[C@@H](C)c1cccnc1 267166852 BEVGGHIZRLIJTQ-NSHDSACASA-N 286.766 3.589 30 20 CHED CCC[C@@H]1C[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 269603788 JBYBFHPHIBXKEA-BZUAXINKSA-N 285.391 3.519 30 20 CHED CC(C)C[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)CCO1 272082272 WLAQZBRPQYCHPH-BMGDILEWSA-N 286.419 3.803 30 20 CHED Cc1nc(Cc2ccccc2)sc1[C@H](C)NCCCC#N 273320734 ZEAYPYDSKOECPM-ZDUSSCGKSA-N 299.443 3.997 30 20 CHED C=CCCCc1nc(Cn2c(CC)nc3ccccc32)no1 274014566 NZNXTNXHJORIRF-UHFFFAOYSA-N 296.374 3.539 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](c2ccccc2C)C1 276883785 GPVFIVASDHCWPJ-YJBOKZPZSA-N 271.404 3.913 30 20 CHED CCOC1CC(CCN[C@H](CC)c2ccc(C#N)cc2)C1 278150341 ABWWQWZPPGDIFC-VMWRSERWSA-N 286.419 3.804 30 20 CHED C=CCCCCCN[C@@H](Cc1nc(C)no1)c1ccccc1 278845714 LKDROFXDRVOVQT-KRWDZBQOSA-N 299.418 3.998 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1NCC(F)(F)F 278947171 VGZHEHZVLWDLSS-UHFFFAOYSA-N 299.296 3.539 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)[C@@H](C)c1ccccc1 280815524 MPYUNIZGYMFHJA-ATLSCFEFSA-N 273.420 3.749 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 280988940 CDLZSIUMJZEORJ-ZDUSSCGKSA-N 289.423 3.600 30 20 CHED N#CCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 285365108 FNEKHCAXJRVODJ-BBWFWOEESA-N 254.377 3.558 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 285970370 ODHUZMRBPGHYOO-CRAIPNDOSA-N 284.403 3.559 30 20 CHED C[C@@H](SCCC(C)(C)C#N)C(=O)Nc1ccccc1 289352541 GYCGCEULGYSCKB-GFCCVEGCSA-N 276.405 3.687 30 20 CHED C=CC[C@@H](C(=O)N1CCC(F)(F)[C@H](C)C1)c1ccccc1 290957876 PTNURFQNCOVDRW-UKRRQHHQSA-N 293.357 3.850 30 20 CHED COc1cc(F)c(F)cc1NCC(C)(C)CCC#N 291587279 PLTSUQVTHMMLKU-UHFFFAOYSA-N 268.307 3.715 30 20 CHED Cc1ccc(-c2ncccc2NC(=O)CCCC#N)s1 292263134 KUDVZENEDZSORG-UHFFFAOYSA-N 285.372 3.751 30 20 CHED CC1(C)CN(Cc2ccc(OCC#N)cc2)[C@H]2CCC[C@@H]21 293030048 LEYBZOPTVPXAFR-IRXDYDNUSA-N 284.403 3.599 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2c(C)nsc2C)no1 293155386 XKUNKVMTACTPOT-ZDUSSCGKSA-N 263.366 3.664 30 20 CHED CCCCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[C@H](C)C1 294105326 JQUPMVBSBMKXRS-BBRMVZONSA-N 287.407 3.707 30 20 CHED C#CCCCCC(=O)NCc1cc(C2CC2)ccc1F 295340451 FTODOWZHCJJYAX-UHFFFAOYSA-N 273.351 3.513 30 20 CHED C[C@@H](CCC#N)Sc1nc(C2CC2)nn1-c1ccccc1 298246894 JNICNXRADAHBGG-LBPRGKRZSA-N 298.415 3.929 30 20 CHED C[C@@H](Cc1nc2ccccc2s1)Nc1ccc(C#N)cn1 301078928 HOXSEXOWZLZXSW-NSHDSACASA-N 294.383 3.606 30 20 CHED N#Cc1nccnc1Nc1ccc(NC2CCCCC2)cc1 301170034 TZAUGOMVOURESH-UHFFFAOYSA-N 293.374 3.836 30 20 CHED CC(C)c1nccc(N(Cc2ccc(C#N)cc2)C2CC2)n1 301265129 MEMAADIUUMCXIM-UHFFFAOYSA-N 292.386 3.641 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCCOCC3CC3)c2c1 301412133 YWCUFIUWUSXMMX-UHFFFAOYSA-N 295.386 3.562 30 20 CHED Cc1nc(N(CC(C)C)C2CC2)c(Cl)cc1C#N 310739268 HGEVUUMFPGRTFP-UHFFFAOYSA-N 263.772 3.540 30 20 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20 CHED COC[C@H](C#N)Nc1ccc(-c2ccccc2)cc1C 543116236 XIMSCNCMOCQRLJ-INIZCTEOSA-N 266.344 3.613 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(C#N)C(C)(C)C 547332282 RIMYHGCGWPSEHO-YJBOKZPZSA-N 286.419 3.700 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2cc3ccccc3o2)no1 560048167 QLFJLVRFRNXXOR-INIZCTEOSA-N 281.315 3.598 30 20 CHED C=C(CC)CN[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC 560539444 BQCNDFHERPIXKB-RCCFBDPRSA-N 273.420 3.894 30 20 CHED C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)C(C)(C)C 566310303 IMJQHJSHPDTVRX-SNVBAGLBSA-N 293.798 3.962 30 20 CHED C[C@@H]1CN(c2cccnc2C#N)CC[C@@H]1c1ccccc1 569163703 LPOMIBHLYMHMRJ-ZBFHGGJFSA-N 277.371 3.583 30 20 CHED CC1(NC(=O)Nc2ccc(C#N)c(F)c2)CCCCC1 570131804 RVXSSWVPSJLSNU-UHFFFAOYSA-N 275.327 3.542 30 20 CHED N#Cc1ccc(CSc2nc(-c3ccccc3)co2)nc1 571234918 ZUMIOAAOUONTRT-UHFFFAOYSA-N 293.351 3.901 30 20 CHED Cc1ccccc1C[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 572927352 JGUUXGGZVVGEPE-ZDUSSCGKSA-N 295.342 3.818 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(F)cc2F)no1 578098285 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N#CCc1ccccc1NC(=O)C/C=C\c1ccccc1F 588986468 DXVJDLHWTUVMSV-YVMONPNESA-N 294.329 3.934 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 589348014 BYDNLMCALAMYJB-NSHDSACASA-N 275.327 3.564 30 20 CHED N#CC1(CSCCC(=O)Nc2ccccc2F)CCC1 591403490 HXTPJCUSDNPXCW-UHFFFAOYSA-N 292.379 3.581 30 20 CHED Cc1ccc(C2(C(=O)NC3(C#N)CCCCC3)CCC2)cc1 591757554 GENNVFPUVJNRQP-UHFFFAOYSA-N 296.414 3.759 30 20 CHED Cc1ccccc1C1(NCc2ccc(C#N)cc2)CC1 592137643 KYHGYZMKBAIXMS-UHFFFAOYSA-N 262.356 3.646 30 20 CHED CCc1cc(C(=O)N2CCC(CCC#N)CC2)sc1C 592820966 SIYRCRWEUNKGEA-UHFFFAOYSA-N 290.432 3.775 30 20 CHED CC[C@H](C#N)C(=O)Nc1ncc(-c2cccc(C)c2)s1 593707355 LXCIBVAKODFOBF-LLVKDONJSA-N 285.372 3.607 30 20 CHED C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)C(C)(C)C 593721946 OKLUGNNINJORRH-HNNXBMFYSA-N 299.462 3.547 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H](C)c1ccco1 593958351 KGBILESSKZFHNZ-UONOGXRCSA-N 296.370 3.549 30 20 CHED C=C(CC)CSCc1ccc(OCC(F)(F)F)nn1 594558770 VYUKAJXFCISJET-UHFFFAOYSA-N 292.326 3.617 30 20 CHED CC(C)(C)n1cc(CSc2ccccc2C#N)cn1 594890437 PVMMLVVPCNLFEM-UHFFFAOYSA-N 271.389 3.802 30 20 CHED CCC[C@@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 596164206 XMNTXABBRGCMQC-SECBINFHSA-N 269.801 3.685 30 20 CHED N#CCC1(CSCc2nc(Cc3ccccc3)no2)CC1 596332540 OAUDSYTVNVUOKB-UHFFFAOYSA-N 299.399 3.587 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(SC)ccc1Cl 596983730 IIBXGJNUOXORTB-SECBINFHSA-N 297.811 3.876 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)N1CCC[C@@H](CC#N)C1 597901319 UUOMYLIWAOECIE-AWEZNQCLSA-N 299.418 3.533 30 20 CHED N#Cc1cccc(C(=O)N2CC[C@H](C3CCCCC3)C2)c1 598150381 ALEKSHTVYYOEPX-KRWDZBQOSA-N 282.387 3.601 30 20 CHED CCN(C(=O)[C@@H](C)Sc1ccc(Cl)cc1)[C@H](C)C#N 598354803 UFYFVLZZSYKCIN-GHMZBOCLSA-N 296.823 3.581 30 20 CHED CCN(C(=O)c1cc(Cl)ccc1OC(C)C)[C@@H](C)C#N 598882449 MZAPLYMKAHCDET-NSHDSACASA-N 294.782 3.501 30 20 CHED CC[C@@H](NCCCSCC#N)c1cc(C)ccc1C 599641564 UXJOHJGBNNYHSC-MRXNPFEDSA-N 276.449 3.991 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1ccc(F)cc1F 602500614 BXBRDLDOGMWFKE-MNOVXSKESA-N 252.308 3.555 30 20 CHED CO[C@H](CNC[C@H](C)CCC#N)c1ccc(Cl)cc1 602568620 PMHWCFDIBMBAGC-IUODEOHRSA-N 280.799 3.557 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1C[C@H](C)CCC#N 602597922 UJQVCDMUPAXIGG-GRYCIOLGSA-N 262.319 3.589 30 20 CHED C[C@H](CCC#N)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 602676197 MEEFVZXSFYPFHS-CJNGLKHVSA-N 292.810 3.733 30 20 CHED CCN(CC1(CC#N)CC1)[C@H](C)c1ccc(C#N)cc1 602765770 ZLFLOWXKMAEOSH-CQSZACIVSA-N 267.376 3.635 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@@H](C)C1 606922065 KTVGZGVRCBDXCK-HUUCEWRRSA-N 266.429 3.953 30 20 CHED COc1ccc(C)cc1COc1ccc(C#N)cc1C 608886531 SPNAIJFRLQJNIS-UHFFFAOYSA-N 267.328 3.763 30 20 CHED COc1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1C#N 610994726 OGOWUFXRBCTCJG-QGZVFWFLSA-N 296.345 3.653 30 20 CHED Cc1ccc(C#N)cc1NCc1nc2c(s1)CCCC2 611530326 DUAYDPHGUWTEJA-UHFFFAOYSA-N 283.400 3.814 30 20 CHED CC(C)(C#N)CNCc1ccccc1OC1CCCC1 612584826 BVGMZAASMXBILP-UHFFFAOYSA-N 272.392 3.647 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H](C#N)C1)CC2 613254398 ISIAEJXGKYHYHT-JLJPHGGASA-N 254.377 3.654 30 20 CHED CCc1cc(C)nc(N[C@H](CCC#N)c2ccccc2)n1 613282395 NMIMJVXAKNGIPA-MRXNPFEDSA-N 280.375 3.804 30 20 CHED CC(C)[C@@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N 613416940 XTZZJCAZNQWKQT-AWEZNQCLSA-N 271.408 3.876 30 20 CHED N#Cc1ccc(CN2CC[C@H]2c2cccc(F)c2)cc1F 616758887 HUQLKDPBTGVTTO-KRWDZBQOSA-N 284.309 3.783 30 20 CHED C=CCCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 617616416 WENBDIIQLAFSGJ-STQMWFEESA-N 284.186 3.789 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H](CC=C)C1 617781738 STTJVKNRVPBJQE-MRXNPFEDSA-N 279.424 3.564 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2cccc(F)c2)C1 617786302 WTKBDZMEGWHZDS-GJZGRUSLSA-N 289.394 3.819 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3S2)C1 617787502 PVXOVJPJDZSWRT-BBRMVZONSA-N 287.428 3.518 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H](CC=C)C2)cc1 617787736 WEVQHZXNSGCQLT-HNNXBMFYSA-N 285.387 3.680 30 20 CHED C[C@H]1CCCC[C@H]1NCc1ccc(C#N)c(Cl)c1 619755864 WRXWPZRPFXXNLI-XHDPSFHLSA-N 262.784 3.880 30 20 CHED C=CCOc1ccc(C(=O)N(CC=C)C(C)(C)C)cc1 622943960 YXFWFIVUUATZEK-UHFFFAOYSA-N 273.376 3.678 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1N(C)CCC 627093543 MQYYTDOVEJIDFZ-UHFFFAOYSA-N 287.407 3.739 30 20 CHED C=CC[C@H]1CCCC[C@H]1NC1CCC(N(C)C)CC1 658039286 XQBMJAIVPBUTOF-ZGRYLRDCSA-N 264.457 3.584 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](CC)CC(F)(F)F)C1 661025033 RNNRBMZAATVSGE-NEPJUHHUSA-N 292.345 3.715 30 20 CHED CC(=O)c1c(C)cc(C)c(CN(C2CC2)[C@@H](C)C#N)c1C 661563437 XUGHODNYRCWBJA-ZDUSSCGKSA-N 284.403 3.691 30 20 CHED C=CCCNC(=O)Nc1ccccc1SC(C)C 666341229 KTJAILHORQFUKT-UHFFFAOYSA-N 264.394 3.885 30 20 CHED CCC#C[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1C 677131966 VHPOBFPRAJFTLZ-LLVKDONJSA-N 289.379 3.515 30 20 CHED Cc1cccc(CC(=O)Nc2ccc(Cl)cc2C#N)c1 695724950 MJIZAEDAWJAEPA-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CCCCCCCNC(=O)c1ncccc1Br 703788200 SMXLNOYXFFPCGO-UHFFFAOYSA-N 299.212 3.544 30 20 CHED CCCN(Cc1ccccc1O)Cc1cc(C#N)ccc1F 727830817 PPZOXNCPQWDQDD-UHFFFAOYSA-N 298.361 3.815 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2C)c1 728248016 CBXOBKSGLZMLGP-DNVCBOLYSA-N 289.378 3.857 30 20 CHED Cc1ncccc1C=NNc1ccccc1C(F)(F)F 728777649 JYCRXYQULGUVOL-UHFFFAOYSA-N 279.265 3.855 30 20 CHED C=CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C 729473452 FBUKVWAKUKIAIW-UHFFFAOYSA-N 292.379 3.778 30 20 CHED C=CC1CCN(Cc2cc(=O)oc3cc(CC)ccc23)CC1 732205787 AOXKTBUBKVYHDZ-UHFFFAOYSA-N 297.398 3.753 30 20 CHED C#CCOc1cccc(NC(=O)NC[C@@H](C)C(C)(C)C)c1 734650576 RVQFRNVJEHRWPB-CYBMUJFWSA-N 288.391 3.502 30 20 CHED C=CC[C@H](NC(=O)N[C@@H](C)CCC(C)C)c1ccncc1 734652604 OBNMPSGTCDJFRQ-HOCLYGCPSA-N 289.423 3.823 30 20 CHED C=CCC(=NNc1nccnc1Cl)c1ccc(F)cc1 735614977 IXNMIOSXFBSSNM-UHFFFAOYSA-N 290.729 3.661 30 20 CHED CC[C@@H]1CCC[C@H](/N=C\c2cccc(OC)c2O)C1 740764029 WGEBVFWIHBXOLL-WEUGLAFTSA-N 261.365 3.789 30 20 CHED CCCCCCCNCc1ccc(-n2cncn2)c(C)c1 742366331 WDTSLDRBNAJRSW-UHFFFAOYSA-N 286.423 3.636 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C(C)=C/CC 743690113 ZYILXMLQYJZELD-OQLLNIDSSA-N 257.377 3.600 30 20 CHED C[C@H](/N=C/c1cccc(O)c1O)[C@@H](C)c1ccccc1 746817024 VDVVWNPEKXCMHP-LDQMOMIISA-N 269.344 3.709 30 20 CHED CCC[C@@H](C)OC(=O)CCCCOc1cccc(C#N)c1 748122999 RYCIADYSJHVGLB-CQSZACIVSA-N 289.375 3.839 30 20 CHED Cc1occc1CNc1nc2ccccc2cc1C#N 750017972 QUTVVUNXCXNZKO-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C#CC[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)C1CC1 750778429 OMTQCLTXZYKNAN-CYBMUJFWSA-N 287.746 3.780 30 20 CHED C=CC[C@H](NC(=O)NCC1(C2CC2)CCC1)c1ccncc1 752670033 NZFVPWFJZLUVDR-INIZCTEOSA-N 299.418 3.578 30 20 CHED CCCCCCCCC(=O)N1C[C@@H](C)Oc2ncccc21 752859748 DUAIZGXKKRIHGS-CQSZACIVSA-N 290.407 3.946 30 20 CHED C[C@H]1CC(=NNc2ccc(C(F)(F)F)nn2)C[C@H](C)C1 754710324 SSMPCAFXWKFJGO-RKDXNWHRSA-N 286.301 3.719 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1 755274858 SPQSKRXUQLFYLQ-SUMWQHHRSA-N 272.392 3.868 30 20 CHED Fc1cccc(Cl)c1CCC=NO[C@H]1CCCCO1 755823840 SZOVDQPUZLZFQV-AWEZNQCLSA-N 285.746 3.941 30 20 CHED Cc1ccc(C=NNCc2cccc(Cl)c2)s1 756827282 MDCOHVIGEJWPOM-UHFFFAOYSA-N 264.781 3.834 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1C2 757004158 MIFWFCKQMNVSDJ-GFCCVEGCSA-N 263.340 3.562 30 20 CHED CCOc1cc(/C=C/C(=O)c2cc(C)ccc2O)ccc1O 757476214 OLKSYAVMLDCRKA-VMPITWQZSA-N 298.338 3.701 30 20 CHED C#CCCCC(=O)Nc1cc(-c2ccccc2)ns1 758370871 XYIAEAPKVYSPRY-UHFFFAOYSA-N 270.357 3.552 30 20 CHED CCCCCCCCCN1CC[C@H](C)[S@@](=O)CC1 759871149 UKEZITGIJYBHJC-YJBOKZPZSA-N 273.486 3.580 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1ccc[nH]1 760346989 OSLZIISQHPPHLY-HNNXBMFYSA-N 297.402 3.516 30 20 CHED CC(=NNc1cccc2cnccc12)c1cnc(C)s1 761259867 YELPRIDIANEVCM-UHFFFAOYSA-N 282.372 3.836 30 20 CHED CC#CCOC(=O)c1cc(SC)c(Cl)cc1Cl 761301591 AFQJNUDDVBIELA-UHFFFAOYSA-N 289.183 3.895 30 20 CHED C[C@H](c1noc(COc2cccc(C#N)c2)n1)C(C)(C)C 762150101 WGXNMZUBGBKFBI-LLVKDONJSA-N 285.347 3.670 30 20 CHED C=CCOc1ccc(COC(=O)CC[C@H](C)SC)cc1 763642283 VLESGWXTUCCZFL-ZDUSSCGKSA-N 294.416 3.826 30 20 CHED CCC(=NNc1ccc(C#N)cc1)c1ccc(O)c(F)c1 764683854 UWKJEIPNUHCPEO-UHFFFAOYSA-N 283.306 3.629 30 20 CHED Cc1cc(OC(=O)[C@@H](C)c2cccc(F)c2)ccc1C#N 765092131 QOOUSTBPANVQEA-LBPRGKRZSA-N 283.302 3.715 30 20 CHED Cc1ccc(C=NO[C@@H]2CCCCO2)cc1Cl 766452924 KAWPQPCTOBMHFF-CYBMUJFWSA-N 253.729 3.526 30 20 CHED C[C@@H](/N=C\c1cccc(O)c1O)c1cccc(F)c1F 766670913 DCXHFIKIXAKMTK-YSUMALLGSA-N 277.270 3.556 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1CN(CCC#N)CC(C)C 768154383 SGDJGSVARXCLPB-UHFFFAOYSA-N 290.455 3.627 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](F)c1ccccc1 769351277 ANNFJMZTRNWOHE-QGZVFWFLSA-N 283.346 3.912 30 20 CHED N#Cc1ccc(CNN=Cc2cc3ccccc3s2)cc1 769816569 VPPYOQCDIRYCEW-UHFFFAOYSA-N 291.379 3.897 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1ccccc1Cl 770569084 KXJBCMBPSXDGLX-CMDGGOBGSA-N 274.751 3.532 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc(F)cc1Cl 773086909 VALBEIAUHQYNII-UHFFFAOYSA-N 292.745 3.839 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC[C@@H](C)SC)c1 773328204 IWEOQAIRSBEOFX-CYBMUJFWSA-N 275.417 3.553 30 20 CHED Clc1cccnc1NN=C1CCCNc2ccccc21 774372669 FBFXHKNEFWBUJM-UHFFFAOYSA-N 286.766 3.757 30 20 CHED CCOCCON=C1CCc2c1ccc(Cl)c2Cl 774416149 AUTLDHDQJAEJAU-UHFFFAOYSA-N 288.174 3.697 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCc1cccc(C#N)c1F 774953018 YMDKQOGUSZMDDP-GFCCVEGCSA-N 289.350 3.957 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@@H](CC)C(C)C 775942728 KMXKFSKLGXGPAC-CQSZACIVSA-N 273.376 3.709 30 20 CHED O=C1/C(=C2\COc3ccc(F)cc32)CCc2ccc(F)cc21 776193062 OGRNXTITUOBFAL-DTQAZKPQSA-N 298.288 3.940 30 20 CHED CCCC[C@@H](CCC)NC(=O)Cc1ccccc1CC#N 776981670 WQQQWJUICGJQGU-QGZVFWFLSA-N 286.419 3.770 30 20 CHED COc1cccc(F)c1C(C)=NOCCC(F)(F)F 777462745 KLSATUJDVNLBIM-UHFFFAOYSA-N 279.233 3.527 30 20 CHED C=CC[C@@H](C(=O)OCc1ccc(C)cn1)c1ccccc1 778428728 UCAJUOWZBBSKFW-QGZVFWFLSA-N 281.355 3.793 30 20 CHED CC[C@@H]1CCCCC1=NNc1cnc2ccccc2n1 779773875 OOCGRMPRWPAICE-GFCCVEGCSA-N 268.364 3.998 30 20 CHED C#CCCCCCC(=O)N[C@H](C)CCC(C)(C)C 779953239 BLGBSWKIUCZLFW-CQSZACIVSA-N 251.414 3.901 30 20 CHED CC1(C)C[C@H](NN=C/C=C/c2ccc(F)cc2F)CCO1 780249316 CZDOANNNXGXEEV-LXIXQUAXSA-N 294.345 3.511 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1coc2ccccc12 782285578 BKJMENMLMLQJDB-HNNXBMFYSA-N 256.349 3.935 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1nccnc1C 783514163 MDMHELJGCPEINW-ZDUSSCGKSA-N 296.418 3.983 30 20 CHED C#CCCCNC(=O)NC1CCC2(CCCCC2)CC1 786774264 FGJFJKRJWCBFDL-UHFFFAOYSA-N 276.424 3.592 30 20 CHED CCCCCCCCCCC(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 787639511 USLGKWKMTJAINR-CALCHBBNSA-N 294.483 3.537 30 20 CHED Clc1ccc(NN=CCC2CCOCC2)cc1 788698630 GNMXDOMVKLDYCQ-UHFFFAOYSA-N 252.745 3.554 30 20 CHED C=C(C)COc1cccc(NC(=O)/C(=C\C)CC)c1 788785822 GFCAYAONBHSVKV-ACAGNQJTSA-N 259.349 3.936 30 20 CHED CC[C@@H](C)NN=Cc1c(Cl)cccc1N1CCCC1 790181086 CGOULHAUGXRMMA-GFCCVEGCSA-N 279.815 3.662 30 20 CHED COc1ccc2oc(C=NNc3ncccc3C)cc2c1 790190444 JVNPOWQGDBKJAF-UHFFFAOYSA-N 281.315 3.591 30 20 CHED C=C(C)CN(CCCCCCO)Cc1ccccc1 791567794 MCHRMGKVNAJWCU-UHFFFAOYSA-N 261.409 3.617 30 20 CHED CCCCCCCCCNC(C)(C)c1noc(C)n1 792247951 BJGJBKIEZFRKQD-UHFFFAOYSA-N 267.417 3.953 30 20 CHED C[C@]1(C=NNCc2cccc3cccnc23)CCCS1 792972910 KVOJLZRDXMHYDJ-MRXNPFEDSA-N 285.416 3.596 30 20 CHED Cc1cc(NN=C[C@H](OC(C)C)c2ccccc2)nc(C)n1 792978152 RLLOZHALZXKTBA-INIZCTEOSA-N 298.390 3.657 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@](C)(CC)CCC)c1 793414005 PNFVUUFDDJARMZ-KRWDZBQOSA-N 257.377 3.847 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2ccccn2)cc1OC 794472357 WITVFTFJFPKVOX-GFCCVEGCSA-N 299.374 3.690 30 20 CHED CCc1cccc2c1OC/C(=C/c1ccc(O)c(F)c1)C2=O 794723386 FIJIYDJDHYECGU-JYRVWZFOSA-N 298.313 3.752 30 20 CHED Fc1ccc(/C=C/C=NOCC(F)(F)F)cc1F 794920812 UIRIMTXYBMOOCB-CQPSTHIISA-N 265.181 3.543 30 20 CHED COCCCON=C(C)Cc1cccc(C(F)(F)F)c1 795042760 XTQBUNMHKBBYEC-UHFFFAOYSA-N 289.297 3.677 30 20 CHED CCCCCCCCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 796328191 DLKRWWDHXYUVCW-KBPBESRZSA-N 295.389 3.840 30 20 CHED C=CC[C@H](NC(=O)CC[C@@H](C)CC)c1ccncc1 796483059 PRNZVQZSSOCUEC-ZFWWWQNUSA-N 260.381 3.641 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](CC)c1ccccc1OC 798363624 CKAKOJGIPGNYHF-UKRRQHHQSA-N 290.407 3.800 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(C)c(C#N)c1 799319458 HUWZHACLFQEVIR-SFHVURJKSA-N 290.366 3.592 30 20 CHED C#CCCCC(=O)O[C@H]1CC(C)(C)Oc2ccccc21 799438856 VIBLGSWTBXLTHC-HNNXBMFYSA-N 272.344 3.636 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@H]1CC12CCCC2 799444623 UMTKQLDPSCSLRX-CQSZACIVSA-N 269.344 3.606 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(OC3CCC3)c(F)c2)C1 799725203 WCWDQCQUYDNYOA-VXGBXAGGSA-N 274.339 3.861 30 20 CHED CC#CC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 801157557 FTVBJKVQJQDXNU-CQSZACIVSA-N 279.339 3.788 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801898173 NICBAKFMBXEATJ-WDEREUQCSA-N 289.228 3.561 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C)C1CC1)c1ccc(Cl)cc1F 804416985 MAPTYTMNGDOVQJ-BMIGLBTASA-N 293.769 3.706 30 20 CHED C=CCCCCCCNC(=O)[C@@](C)(OC)c1ccccc1 805219951 BRONWRGFRXGOOG-SFHVURJKSA-N 289.419 3.801 30 20 CHED CC(C)(CCC#N)CNC(=O)CCCc1ccsc1 805281188 UXDDGEMUHCGWFH-UHFFFAOYSA-N 278.421 3.517 30 20 CHED COc1cc(C)c(NC(=O)C#Cc2ccccc2)c(C)c1C 805292589 MKVIXKCEUIXORN-UHFFFAOYSA-N 293.366 3.611 30 20 CHED CC[C@H](NCC(C)(C)CCC#N)c1ccc2c(c1)CCO2 806177039 SHRGICNLHKJOKK-INIZCTEOSA-N 286.419 3.992 30 20 CHED C#CCC(C)(C)c1nc(-c2ccccc2CC)no1 809287211 RAFLYNIAIQMNAZ-UHFFFAOYSA-N 254.333 3.600 30 20 CHED C#Cc1ccc(CN[C@H]2CCCc3sccc32)cc1 809641595 MJOGRCHITOOSOI-INIZCTEOSA-N 267.397 3.897 30 20 CHED C#C[C@@H](C)NC/C(C)=C/c1ccccc1C(F)(F)F 809683551 FDYAVMANANLQDI-LMMOQWNQSA-N 267.294 3.720 30 20 CHED Cc1ccccc1C1(C(=O)OCCCC#N)CCCC1 810651471 LZOJFNPYJNFCSU-UHFFFAOYSA-N 271.360 3.654 30 20 CHED CCC(=NN[C@H]1CCCOC1)C12CC3CC(CC(C3)C1)C2 811648798 QXVUREXLGWADNO-KUNBBXKYSA-N 290.451 3.737 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(F)c1C#N)C2 811692221 WPCTYKVVUBQBQG-NTUHNPAUSA-N 293.297 3.528 30 20 CHED C=CCCCCCCCNC(=O)c1nnc(C(C)C)s1 811804873 ANWDUFXSDBFKQK-UHFFFAOYSA-N 295.452 3.918 30 20 CHED CC(C)OCCON=C1C[C@H]2CCCc3cccc1c32 812238804 GUEWLWVANAXOEP-CQSZACIVSA-N 273.376 3.656 30 20 CHED C=CC[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 812724425 CUGYASQMVRDSAE-KKUMJFAQSA-N 296.455 3.576 30 20 CHED CC(C)C1CC(=NNc2ccc(Cl)c(C(=O)O)c2)C1 814690071 SGXKHTCITIDVOM-UHFFFAOYSA-N 280.755 3.872 30 20 CHED CC(=NNCc1cccc(F)c1)[C@H](C)CCCCC(=O)O 814805338 WBVYJSBMOATWDN-GFCCVEGCSA-N 294.370 3.572 30 20 CHED Cc1cc(F)ccc1NN=Cc1ncc(Cl)s1 814884918 DMUPNBZJNSDTFD-UHFFFAOYSA-N 269.732 3.690 30 20 CHED CSCCON=C1CCC(c2ccc(O)cc2)CC1 814922015 PGDOVMXLTXWHJB-UHFFFAOYSA-N 279.405 3.785 30 20 CHED C=CCN(C(=O)c1ccc2cc(C)ccc2n1)C(C)C 815398506 KPSBHBRRVICJPX-UHFFFAOYSA-N 268.360 3.580 30 20 CHED C=CCC(F)(F)C(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 815439250 IJOZJEZOKXAPBI-QWRGUYRKSA-N 259.340 3.623 30 20 CHED Cc1cc(C#N)cnc1C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 815979033 OZAKLKMANWGBLU-PMUMKWKESA-N 298.386 3.633 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccc(C2CCC2)cc1 816484907 SGTXRTHQVAJGAA-UHFFFAOYSA-N 279.330 3.782 30 20 CHED CCC(Cc1ccccc1)=NN[C@H](C)c1ccncc1 819814865 GOYKJHCPBGRCEZ-CQSZACIVSA-N 267.376 3.741 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)[C@H](C#N)c1ccccn1 819942330 ZQCOGOOFNAZFQG-NVXWUHKLSA-N 292.382 3.835 30 20 CHED C=CCCCC(=O)OCc1cc2nc(Cl)ccc2o1 821118460 LFKXJTBGTAHLFU-UHFFFAOYSA-N 279.723 3.881 30 20 CHED C#C[C@@H](NC(=O)Nc1c(CC)cccc1CC)C(C)C 821512946 IZEBKVRULKLRCR-OAHLLOKOSA-N 272.392 3.591 30 20 CHED C#CCN(Cc1ccncc1C)[C@@H]1CCc2ccccc21 823375524 YDAJAVKTDRZCQL-LJQANCHMSA-N 276.383 3.513 30 20 CHED C[C@H]1CCN(C(=O)C#Cc2cccs2)[C@@H](c2ccco2)C1 826700891 PICIEOOZYOMOCU-DZGCQCFKSA-N 299.395 3.692 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)C(C)(C)n1cncn1 835018741 SRSCVGGTJIGXBG-UHFFFAOYSA-N 285.395 3.625 30 20 CHED CC[C@H](C)[C@@H](CC)OC(=O)c1ccccc1OCC#N 835587822 JOUIPPIIGOZNRP-GXTWGEPZSA-N 275.348 3.570 30 20 CHED Cc1ccccc1[C@@H](NC(=O)C#CC1CC1)C(C)(C)C 837458046 CJOTUEGWXWQXHM-QGZVFWFLSA-N 269.388 3.612 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H](OC(C)(C)C)c1ccccc1 839037163 NOWYHPMRPUVIJR-ZBFHGGJFSA-N 288.387 3.888 30 20 CHED N#CCOc1cccc(OCc2ccc3c(c2)CCC3)c1 842109172 YGBBPBLZBPVJFP-UHFFFAOYSA-N 279.339 3.657 30 20 CHED N#CC1(CSCc2cccc3nsnc23)CCC1 842174639 HAXIGTBSKHUWLM-UHFFFAOYSA-N 275.402 3.618 30 20 CHED C=CCC(C)(C)c1noc([C@H](CC(C)(C)C)NC)n1 843236004 YVRGCGZGCQOHAP-NSHDSACASA-N 265.401 3.620 30 20 CHED Cc1cc(C(=O)OCc2ccccc2C#N)c(C)n1C(C)C 844184018 UUOZESXHJBGLJT-UHFFFAOYSA-N 296.370 3.915 30 20 CHED COc1ccc(-c2ccc3c(c2)OCO3)cc1C1(C#N)CC1 844232538 QFZBRLXEWTXWBH-UHFFFAOYSA-N 293.322 3.646 30 20 CHED Cc1cnc([C@H](C)CNc2ccc(C#N)cc2C)s1 846752981 WKKLJQMZHFCWTL-LLVKDONJSA-N 271.389 3.847 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(C(C)=O)c1)C(C)C 847218653 FRUNJQYNUZIDDG-UHFFFAOYSA-N 274.364 3.626 30 20 CHED CCCCCCCC(=O)N1CCC[C@H](OC2CCC2)C1 848300921 DJSCMUHHILEWAF-INIZCTEOSA-N 281.440 3.907 30 20 CHED C=CCC1(NC2CCCCCCC2)CCOCC1 850368766 PSODPIGEKMEJHI-UHFFFAOYSA-N 251.414 3.814 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCc1nccs1 851140661 ADIBSNVKNZOWEF-OLZOCXBDSA-N 279.405 3.754 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)Cc1c(C)noc1C 851140917 DZEBKQBQGWADLH-DZGCQCFKSA-N 277.364 3.512 30 20 CHED C/C(=C\C(=O)O[C@H](C)CC(C)(C)C#N)c1ccco1 851206906 YHIJOBLNWDKTJQ-JATZPVMKSA-N 261.321 3.554 30 20 CHED CC(=NNc1ccnc(Cl)c1)[C@@H](C)CCCCC(=O)O 853395085 KIQVGCGBLIVUSQ-JTQLQIEISA-N 297.786 3.804 30 20 CHED C[C@H](C#N)OCCSCC[C@@H]1CCc2ccccc21 853773714 MWSAEPPEUHOFKC-HIFRSBDPSA-N 275.417 3.768 30 20 CHED C#CCCc1noc([C@H]2CCC[C@@H]2Cc2ccccc2)n1 854030263 RRXQNPVWESXZJL-CVEARBPZSA-N 280.371 3.762 30 20 CHED C#C[C@@H](CC)NC(=O)N(Cc1cccc(Cl)c1)C(C)C 854070904 UFKJVENFLNPMNB-HNNXBMFYSA-N 292.810 3.672 30 20 CHED N#CC1(CC(=O)Nc2cc(C3CC3)ccn2)CCCCC1 854532452 ZWKMMXJUXOPPOO-UHFFFAOYSA-N 283.375 3.762 30 20 CHED C#C[C@](C)(CC)NC(=O)c1ccc(-c2ccsc2)nc1C 854696890 PJLLLUXFXBUMOX-QGZVFWFLSA-N 298.411 3.650 30 20 CHED CSc1ccc(/C=C\C(=O)OCC2(CC#N)CC2)s1 860289553 JNDHWENDSCDFKY-RQOWECAXSA-N 293.413 3.720 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C/c1ccc(SC)s1 861512645 OEFQWUQDQGEQBF-DJYGCBNOSA-N 281.446 3.954 30 20 CHED CCCOCSc1nc(C)cc(C(F)(F)F)c1C#N 863263640 RWBADGYQRPRMLY-UHFFFAOYSA-N 290.310 3.757 30 20 CHED COc1cc(CNC[C@H](C)CCC#N)ccc1OC(C)C 876926387 SNAJFBOOAPSBIX-CQSZACIVSA-N 290.407 3.512 30 20 CHED CC(C)C(C)(C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887701504 AGEXLCCDHXVGJY-UHFFFAOYSA-N 298.430 3.946 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@H](C3CC3)C2)c(Cl)c1 893195428 YPXNROAOJSYFQA-WFASDCNBSA-N 276.767 3.581 30 20 CHED N#C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C1CCCC1 893704714 MRFRTIQXLWDVRU-GFCCVEGCSA-N 297.185 3.806 30 20 CHED C=C1CCC(c2nc(-c3cncc(C)c3)no2)CC1 895999738 JJXVZRQJEZNOHC-UHFFFAOYSA-N 255.321 3.654 30 20 CHED Cc1c(Br)cncc1N[C@@H]1CCC[C@@H](C#N)C1 897833778 YBSJYZSJIBHBFT-GHMZBOCLSA-N 294.196 3.647 30 20 CHED CCc1ccc(C(=O)/C=C\c2cncn2C(C)C)o1 901482762 WDRSIFPVOFYAQH-ALCCZGGFSA-N 258.321 3.516 30 20 CHED CC(C)(C)Oc1cccc(NC[C@H](C#N)CCC#N)c1 901657031 PBFSBECUQHEHMT-ZDUSSCGKSA-N 271.364 3.719 30 20 CHED Cc1ccc(C)c(NN=Cc2cccc(OCC#N)c2)c1 915950564 QOUHKEITSYCDKA-UHFFFAOYSA-N 279.343 3.652 30 20 CHED N#CC1(Cn2ccnc2[C@H](O)C2CCCCC2)CCCC1 918015018 ASVWQBIUFHXQSP-OAHLLOKOSA-N 287.407 3.581 30 20 CHED Clc1ccc2c(C=NNCc3ccccc3)c[nH]c2c1 918710014 BUWNQOXTCVMXIS-UHFFFAOYSA-N 283.762 3.945 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)COc2c(F)cccc21 921266659 QCVHQLPTVWZVKM-DHZHZOJOSA-N 272.250 3.624 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1ocnc1C 923806868 ZRQLHJPLRMKAJY-UHFFFAOYSA-N 295.427 3.875 30 20 CHED C#CCCCN[C@H](CCC)c1ncccc1Cl 925158777 ATADGKQYPWKFOX-CYBMUJFWSA-N 250.773 3.579 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C(C)C)nc1)OCC 928621316 YADMKWQULJFMLR-OAHLLOKOSA-N 276.380 3.515 30 20 CHED C=CC(C)(C)C(=O)N(C)c1ccc(Br)cc1 928917736 NXFOTOWUQWOITP-UHFFFAOYSA-N 282.181 3.624 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nncs2)cc1 935779439 YUGBJLITNMOVLO-NSHDSACASA-N 287.388 3.746 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 1117795991 VWWGEWPEVHOOGX-HOTGVXAUSA-N 297.402 3.911 30 20 CHED C[C@@H]1CC/C(=C/c2nnc(-c3cccc(C#N)c3)o2)C1 1118360581 KJRSHJSFAYVMMT-ZGSOTFDTSA-N 265.316 3.812 30 20 CHED CC[C@@H](C)c1ccc(C(=O)OCc2ccc(C#N)cn2)cc1 1122862235 FDSDDFWPBNSELN-CYBMUJFWSA-N 294.354 3.824 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC[C@H]2C2CC2)c(F)c1 1202810835 BWZQCQMWZNDRPX-HOCLYGCPSA-N 272.367 3.613 30 20 CHED C=C[C@@H](COC)N[C@H](CC)c1cccc(Cl)c1F 1255019413 QNDTZIYGORWXDO-GXFFZTMASA-N 271.763 3.721 30 20 CHED N#Cc1cc(C(=O)N2CC[C@H](C3CCCCC3)C2)cs1 1261753002 ZKBSMHHWZPLPGV-ZDUSSCGKSA-N 288.416 3.662 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc(CCC(C)=O)cc1 1263299146 USOYFYDCUKJXQM-CQSZACIVSA-N 274.360 3.716 30 20 CHED N#Cc1cccc(C#N)c1NCCC1CCCCC1 1306927422 CLLMYAJEOFXYPW-UHFFFAOYSA-N 253.349 3.812 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@H]1N=c1cc[nH]c(C#N)c1 1307089156 IUMIGMGFRMMEPW-MJGOQNOKSA-N 291.398 3.747 30 20 CHED CC(C)c1nc([C@H]2CCCCN2C[C@H](C)CCC#N)no1 1308628280 UDNRDYCIQOJBAF-ZIAGYGMSSA-N 290.411 3.660 30 20 CHED Cc1csc(NC(=O)NC[C@H](C)C(C)(C)C)c1C#N 1310700533 ACLAPHOODZLBKU-JTQLQIEISA-N 279.409 3.732 30 20 CHED COC(=O)c1cccc(/C=C2/CCCC(C)(C)C2=O)c1 1319123994 ZSGKWDDSYWEZCQ-RAXLEYEMSA-N 272.344 3.636 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@@H]2c2ccccc2)n1 1321478980 XBRCKDRYXCKKBP-QGZVFWFLSA-N 277.371 3.912 30 20 CHED C[C@@H](c1ccsc1)c1nnc(-c2ccc(C#N)cc2)o1 1322511121 XSGQAQWYRJUWIL-JTQLQIEISA-N 281.340 3.822 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cccc2ccccc12 1325619350 CVXAZDODSDZOEO-DZGCQCFKSA-N 255.361 3.691 30 20 CHED CC(C)(C)c1cnc(/C=C/c2cc(C#N)ccn2)s1 1326683335 BNZJHGFEQYTKNH-SNAWJCMRSA-N 269.373 3.878 30 20 CHED CCN(C)c1ccc(CSCc2cc(C#N)ccn2)cc1 1335240579 XTWWQOJZUZJJPX-UHFFFAOYSA-N 297.427 3.843 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(O)c(Cl)c1 1336757903 BFSJTJUQHHLRFG-LBPRGKRZSA-N 279.767 3.616 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccc(F)cc1 1342562833 RKVYVEKHLMLJCG-FPAJZGIOSA-N 298.292 3.640 30 20 CHED Cn1c(Cl)cnc1[C@@H](C#N)C(=O)C1(C)CCCCCC1 1347337940 OAJJIJDGYZUDFB-NSHDSACASA-N 293.798 3.610 30 20 CHED N#Cc1ccc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)cc1 1348468945 PCYFKCSEZJTXBT-KBPBESRZSA-N 268.360 3.713 30 20 CHED C=C[C@@H](C(=O)N1CC[C@@H](c2ccco2)C1)c1ccccc1 1351188772 VGXLVTCHAAWJSF-HZPDHXFCSA-N 281.355 3.565 30 20 CHED CCCCCCCC[C@H](N)C(=O)Nc1ccc(N)c(C)c1 1353612782 GTPFJVHAMVNEDO-INIZCTEOSA-N 291.439 3.594 30 20 CHED C[C@H]1CN(C(=O)c2cc(C#N)ccc2F)[C@@H]1c1ccccc1 1465469405 RMNVMDCERHRKNS-SJCJKPOMSA-N 294.329 3.531 30 20 CHED CCCCN(Cc1ccccc1F)c1cccc(C#N)n1 1472681560 FSBRGWGTLSJNDN-UHFFFAOYSA-N 283.350 3.899 30 20 CHED N#Cc1ncccc1SCc1cc(-c2ccccc2)on1 1473031322 RRRMEEFIFVYPKX-UHFFFAOYSA-N 293.351 3.901 30 20 CHED C[C@H](CC(=O)O[C@H](CC#N)c1ccco1)c1ccco1 1518002699 WONKMZRAKKRUHI-BXUZGUMPSA-N 273.288 3.564 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccccc1-c1cn[nH]c1 1528099348 CDQVDWZMCFYPED-UHFFFAOYSA-N 269.348 3.618 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OC)c(C#N)c1 1532696282 IOAIWRJBARYOJS-IUODEOHRSA-N 286.375 3.722 30 20 CHED CCN(C(=O)Cc1cccc(C#N)c1)c1ccc(F)c(C)c1 1534239231 ANNKFVJMJDOYAP-UHFFFAOYSA-N 296.345 3.601 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1cccc(CC#N)c1 1537727742 WPDIZWULAKIHOO-ZDUSSCGKSA-N 295.338 3.679 30 20 CHED N#Cc1nccnc1N[C@@H](C1CCCCC1)C1CCC1 1559220653 JWIASWVNEQSZKS-HNNXBMFYSA-N 270.380 3.509 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](C)[C@@H](C(=O)O)C1 1573841246 RMDTTYSUVRFQHT-GJZGRUSLSA-N 297.439 3.696 30 20 CHED CC(C)(C)ON=C1CCC[C@H](CCCC(=O)O)C1 1590399152 XSNJNCFCUAVIAV-LLVKDONJSA-N 255.358 3.603 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)Nc1scc(C)c1C#N 1624563925 ARTNJTOWOXPIJF-CMPLNLGQSA-N 277.393 3.628 30 20 CHED N#Cc1cc(Cl)c(C(=O)N2CCC=C(F)C2)c(Cl)c1 1632808385 YMQLOZPHGIUKJN-UHFFFAOYSA-N 299.132 3.564 30 20 CHED C[C@@H](Nc1cc(C#N)cnn1)c1cc(Cl)ccc1Cl 1639813425 XMXZCMBPYVMZLV-MRVPVSSYSA-N 293.157 3.828 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1643442371 LLVZKWIENYBWFI-RCBQFDQVSA-N 270.376 3.537 30 20 CHED N#Cc1ccc(OCCc2noc3ccccc23)cc1Cl 1651930458 OMNRPZLSNSWAOA-UHFFFAOYSA-N 298.729 3.974 30 20 CHED CC1(C)[C@@H](CNc2ncc(C#N)cc2F)[C@@H]1c1ccccc1 1655551049 UGKLOAXSCQETJR-HOCLYGCPSA-N 295.361 3.944 30 20 CHED CCC(=NOCc1ccccc1)c1ccc(C(=O)O)cc1 1776029280 CIPMRABYSPUCBE-UHFFFAOYSA-N 283.327 3.716 30 20 CHED CC1(C)CCCCCC1=NNc1ccc(C(=O)O)nc1 1776071923 ZPDNFKBAVBLAQH-UHFFFAOYSA-N 275.352 3.538 30 20 CHED C=C(C)CCCN1CCC[C@@H]([C@@]23CC[C@@H](C2)[C@@H]3C(=O)O)C1 1776139263 XQSKMLBUXTWSCS-BVIKNXMNSA-N 291.435 3.556 30 20 CHED COc1ccc(O)c(/C=N/CC2(c3ccccc3)CC2)c1 11114937 IAFDSKGSCYLOEH-XDHOZWIPSA-N 281.355 3.552 30 20 CHED COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1C 11288056 AOLHNTKOGKBOFX-XNTDXEJSSA-N 264.324 3.826 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1C 11288629 QPQPHLLELMPGFA-ZZXKWVIFSA-N 296.322 3.628 30 20 CHED Cc1ccc(CNc2cccc(OCC#N)c2)s1 37069435 NKQHWTJWCNSGPQ-UHFFFAOYSA-N 258.346 3.571 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 43329368 UDJODHYHJRPOJD-UHFFFAOYSA-N 291.354 3.778 30 20 CHED C=C(C)CSc1ncnc2sc3c(c12)CCC3 47821652 FAGMOYKYBGSRMV-UHFFFAOYSA-N 262.403 3.848 30 20 CHED N#Cc1ccc(NCCc2c(Cl)cccc2Cl)nc1 48893909 ZWBGMUSGPLQASM-UHFFFAOYSA-N 292.169 3.915 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Cc1ccc(Cl)cc1 49519304 SVSTXQZWPORXDS-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccccc2Cl)cc1 49904433 VFBQRBNHATVSPA-INIZCTEOSA-N 298.773 3.897 30 20 CHED C=CCN(CC=C)Cc1nc2ccccc2n1C(F)F 51766915 RLYHRRHKSKKAGD-UHFFFAOYSA-N 277.318 3.605 30 20 CHED CC[C@H](CC#N)NCc1ccc(-c2ccc(F)cc2)o1 54182834 FWOQDZXHRHUNPQ-CQSZACIVSA-N 272.323 3.868 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(F)cc2F)c1 57437933 KNTNATXGRXUNGP-SOFGYWHQSA-N 274.266 3.870 30 20 CHED OC1=Nc2ccc(F)cc2/C1=N\Nc1cc(F)cc(F)c1 63387542 YNEMSNOYDUWBBO-UHFFFAOYSA-N 291.232 3.522 30 20 CHED C[C@H](C#N)CN(C)[C@@H](C)c1ccc2ccccc2c1 64797299 OXOZDTLKQLRQCU-KGLIPLIRSA-N 252.361 3.992 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@H]1C 66415050 MUHGQBDEVCIPRQ-RHSMWYFYSA-N 284.403 3.793 30 20 CHED C#Cc1cccc(NCc2ccn(C(CC)CC)n2)c1 69991904 QDBMQGQFXAJRGM-UHFFFAOYSA-N 267.376 3.838 30 20 CHED CC(C)CSCC(=O)Nc1cc(Cl)ccc1C#N 72568807 QSZNSUIOOKFZGH-UHFFFAOYSA-N 282.796 3.539 30 20 CHED N#CCN(C(=O)c1ccc(Cl)s1)c1ccccc1 72680046 SHCWQAKIOGEPTM-UHFFFAOYSA-N 276.748 3.572 30 20 CHED CS[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 75878262 KJSKDBXMNDSIFZ-VIFPVBQESA-N 294.445 3.579 30 20 CHED C=CCCNc1ccc(C(=O)N2CCc3ccccc32)cc1 77245694 UQQJJKZIPUMBPV-UHFFFAOYSA-N 292.382 3.878 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)c1c(F)cccc1Cl 81381487 LVZIHHCEDOKEEW-WDEREUQCSA-N 299.773 3.638 30 20 CHED N#Cc1cccc(Sc2ccc3c(c2)CCC3)n1 81622330 ZCIMTOFFVJIOBB-UHFFFAOYSA-N 252.342 3.593 30 20 CHED CCOc1ccc(/C=C2/Cc3c(O)cccc3C2=O)cc1 82069815 RSQRONDJKSCAQJ-RAXLEYEMSA-N 280.323 3.613 30 20 CHED Cc1nnc(N[C@H]2CCCc3ccc(F)cc32)c(C#N)c1C 92976542 XIFJDSLYUSZTSI-INIZCTEOSA-N 296.349 3.594 30 20 CHED Cc1ccc(-c2ncc(CN(C)[C@H](C)CC#N)s2)cc1 93091182 NUVGEUYAJLYLMY-CYBMUJFWSA-N 285.416 3.853 30 20 CHED C[C@@H](NCc1cc(C#N)cs1)c1c(F)cccc1F 93492422 HESHHELZEANARF-SECBINFHSA-N 278.327 3.749 30 20 CHED CSc1cccc(NCc2cc(C#N)cs2)c1 93492450 JUBHYIPCZWEUJG-UHFFFAOYSA-N 260.387 3.954 30 20 CHED N#Cc1cccc(OCCCSc2ccncc2)c1 94614251 CURMCLQXNZZSPQ-UHFFFAOYSA-N 270.357 3.514 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(C#N)cc2)c2ccccc21 96717921 ZJRZPAQFLVQYDO-UHFFFAOYSA-N 291.354 3.888 30 20 CHED CCCCCCCC(=O)Nc1cccc(C(=O)NCC)c1 100314527 LGFIUVHINXXBOQ-UHFFFAOYSA-N 290.407 3.735 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2CCCCCC2)n1 102115455 WBZROILROUJMTO-LBPRGKRZSA-N 262.378 3.598 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](CC)c1ccccc1 113480836 PPWVRCFNUPKNOZ-UKRRQHHQSA-N 262.349 3.662 30 20 CHED C=C(Br)CN1CCSC[C@H]1c1ccccc1 115740232 BUKJRWDYOFMMRB-ZDUSSCGKSA-N 298.249 3.685 30 20 CHED C=CCCCSc1nnc(-c2ccccc2OC)o1 117548089 KHXRRISFLULNGB-UHFFFAOYSA-N 276.361 3.804 30 20 CHED C#CCCCCC(=O)N[C@H](CCC)Cc1ccccc1 119797997 VQSLDOJQOGCZBL-QGZVFWFLSA-N 271.404 3.708 30 20 CHED CN(Cc1ccc(N(C)CCC#N)cc1)Cc1ccsc1 120478999 NWYNRJFUBWIPIO-UHFFFAOYSA-N 299.443 3.730 30 20 CHED Cc1ccc(S[C@H](C)C(=O)N[C@H](C#N)C(C)(C)C)cc1 122126743 KLQYGWMNJDJCDW-TZMCWYRMSA-N 290.432 3.530 30 20 CHED N#Cc1cc(OCCC(F)(F)F)ccc1C(F)(F)F 125464729 HYWKOTSXODCFTN-UHFFFAOYSA-N 283.171 3.908 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@H](C)C1 126260890 FXABQSSKAUNORY-WCQYABFASA-N 256.349 3.632 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(Br)cc1F 126827879 CNVLUIZUQAUTMB-BDAKNGLRSA-N 272.161 3.813 30 20 CHED CC(C)(C)c1nc2cc(NC(=O)C3(C#N)CCC3)ccc2o1 134585888 IYACDJXHYWGMHU-UHFFFAOYSA-N 297.358 3.758 30 20 CHED CCCCCCCCC(=O)N[C@@H](CC(=O)O)C(C)(C)C 136707655 WELPPTSOBFUGJC-ZDUSSCGKSA-N 285.428 3.743 30 20 CHED CCCCCCC[S@](=O)c1ccc(C(C)=O)cc1OC 137003192 RVUZDIAPWPGCLQ-HXUWFJFHSA-N 296.432 3.976 30 20 CHED CCCCN(CC)C(=O)N[C@@H](CCC#N)c1ccccc1 151472230 QBJYGGIWKHFBRI-INIZCTEOSA-N 287.407 3.863 30 20 CHED C#Cc1cccc(N(C)C(=O)CCSCCCC)c1 151553661 XRBXAFDXNHTTBZ-UHFFFAOYSA-N 275.417 3.554 30 20 CHED CCC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C(C)C 153127945 DZCVCHKQWWPVIT-QWHCGFSZSA-N 283.375 3.811 30 20 CHED C=CCNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 154694136 MMQLLTVQXVSROH-JTQLQIEISA-N 271.282 3.501 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(SC(F)F)cc1 155372318 OZNQXCBMLHKVQJ-VIFPVBQESA-N 299.346 3.815 30 20 CHED N#Cc1ccc(CNc2ccccc2OCC(F)(F)F)o1 157488943 RKVCPAGXDWNPBB-UHFFFAOYSA-N 296.248 3.704 30 20 CHED C[C@@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 160529694 ZHKZDPPUAOYGDA-WBVHZDCISA-N 299.418 3.863 30 20 CHED C#CCCCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 172941987 WRNOPHAVNMRBJP-JGAFYBCUSA-N 273.420 3.513 30 20 CHED C[C@H]1CCCN1C(=O)c1ccccc1-c1ccccc1C#N 173147373 WHYDXTUEOYTQNL-AWEZNQCLSA-N 290.366 3.850 30 20 CHED C=C(C)CN1CCCCC[C@H]1C[C@H](O)c1cccs1 175860113 VCMOBMHQEQTYLR-GJZGRUSLSA-N 279.449 3.992 30 20 CHED N#Cc1ccc(CNCC2(c3ccc(F)cc3)CC2)s1 176949328 DEZHAGPRHQFCNY-UHFFFAOYSA-N 286.375 3.580 30 20 CHED CN(CCC#N)Cc1sc2ccccc2c1Cl 177191461 ZDIOUPZHUSLEHT-UHFFFAOYSA-N 264.781 3.900 30 20 CHED CCn1cc(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)cn1 179451963 XVCZLOFBRINHLI-AZZDOICSSA-N 266.344 3.595 30 20 CHED C#CCCCCC(=O)N1CCC(c2cccc(OC)c2)CC1 179887473 VWDMQNMGVSDCOY-UHFFFAOYSA-N 299.414 3.595 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1SCCc2sccc21 182581680 LSENCPSIPBBURT-FZMZJTMJSA-N 295.473 3.940 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 182591185 XPEGQARQWQZHJX-UCLAIMLFSA-N 283.415 3.752 30 20 CHED C[C@@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(C#N)c1 183261472 CWISCLWLVAJZPC-QCSYZSNVSA-N 296.414 3.557 30 20 CHED C=CCC[C@H](C)NCCc1c(C)[nH]c2ccccc12 185314188 LZAHDEKHYYHMNH-ZDUSSCGKSA-N 256.393 3.963 30 20 CHED C[C@@H]1C/C(=C/c2ccc(F)nc2)C(=O)c2ccccc21 186421646 ZJOLHRVLZARJAN-NASPGAHYSA-N 267.303 3.994 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1coc(C)c1 187328919 CGVWVGJMNAARRV-UHFFFAOYSA-N 283.331 3.534 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 187515915 FQOLCNZSGRKJTC-RRFJBIMHSA-N 276.424 3.744 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1ccc(OC)c(Cl)c1 188511527 ZDUXXCDXLRWLLO-OAHLLOKOSA-N 281.783 3.914 30 20 CHED CCc1ccccc1CN(CCC#N)Cc1ccco1 189067244 WDCUBYJAFJXHOT-UHFFFAOYSA-N 268.360 3.758 30 20 CHED C=CCC1(C(=O)N[C@H](CC)c2c(C)noc2C)CCC1 189790673 WJIBXLVJWCWAHB-CYBMUJFWSA-N 276.380 3.605 30 20 CHED C=CCC1(C(=O)NCC(C)(C)c2cccc(F)c2)CCC1 191907450 PSCZXEWJJGOHMM-UHFFFAOYSA-N 289.394 3.966 30 20 CHED Cc1cccc(C)c1CCN[C@@H]1CCC[C@H](C#N)C1 193026178 CZALTDOVUCTMNA-JKSUJKDBSA-N 256.393 3.518 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(Cl)c1C 195326370 VYRWACSKUZVAQC-UHFFFAOYSA-N 251.757 3.687 30 20 CHED COCc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1 195462606 UWQBYUZBAKTUSY-AWEZNQCLSA-N 296.370 3.736 30 20 CHED N#Cc1ccc(OCc2ccc(F)cc2)cc1Cl 220980563 QXDHNPJOJCHAQT-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cccc([N+](=O)[O-])c1 229690677 RYJJSTZJZQKANV-LBPRGKRZSA-N 275.352 3.575 30 20 CHED CC(C)CCN(CCC(C)C)C(=O)C1(C#N)CC(C)C1 229872552 RXIOJZWDHOMNRI-UHFFFAOYSA-N 278.440 3.847 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@H]2C2CC2)cc1C(F)(F)F 230308674 QSCZLPVIIHSXJA-KGLIPLIRSA-N 296.292 3.556 30 20 CHED CC(C)CC[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 236605064 LZCGWPXGKBNJHZ-CABCVRRESA-N 274.408 3.892 30 20 CHED C[C@H]1CCC[C@H](C)C1NCc1ccc(O[C@H](C)C#N)cc1 237592269 QPCNFUIMXULTMM-SOUVJXGZSA-N 286.419 3.892 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC2CCCCCC2)cc1 237693588 CPYGUAAQFDSLNX-AWEZNQCLSA-N 272.392 3.790 30 20 CHED CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1nc(C)cs1 248887264 MNMPTIDWWWIZDT-AGIUHOORSA-N 263.410 3.575 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cccnc1Cl 254986392 PAGXGHNHESVRJS-SREVYHEPSA-N 287.746 3.948 30 20 CHED CC(C)(C)c1ncc(/C=C2\Cc3c(O)cccc3C2=O)s1 255166443 WIWCLBKXGIEKND-JXMROGBWSA-N 299.395 3.969 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cc(O)ccc1[N+](=O)[O-] 255170097 DDBCXOHLILDDQC-TWGQIWQCSA-N 283.283 3.505 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(C(=O)O)cc1 263437461 VBWJUUBTXQYFEG-CQSZACIVSA-N 275.392 3.999 30 20 CHED Cc1ccc([C@@H](NCc2ccc(C#N)o2)C2CC2)cc1 266209801 NTASZQVSAGSUJD-QGZVFWFLSA-N 266.344 3.701 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)c1cccc(Cl)c1 266263284 WROPXSZEAATPKF-QWRGUYRKSA-N 251.757 3.524 30 20 CHED N#CCCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 266952960 FSQJUBGGROJPMM-UHFFFAOYSA-N 287.241 3.719 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(N(C)C)cc1C 268195303 XJQYUYDVPBHARW-UHFFFAOYSA-N 272.392 3.768 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)cc1F)OCC 270104497 HOQGFIDNUBFQPU-CYBMUJFWSA-N 285.746 3.789 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 270981370 DASFAYVKZDAPRQ-MFKMUULPSA-N 278.783 3.703 30 20 CHED C=CCN(C(=O)Nc1ccc(OCCC)cc1C)C1CC1 271488172 HOAFRIYXTWPSSC-UHFFFAOYSA-N 288.391 3.966 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(Cl)cc1F 272401654 JIIAAXGKXFAUJD-CQSZACIVSA-N 282.746 3.537 30 20 CHED COc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1C 272580694 POJYYUMLBSTNMG-CQSZACIVSA-N 296.370 3.907 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccccc2C(F)(F)F)C1 274176168 DBHMTXICXDZCRB-DGCLKSJQSA-N 282.309 3.877 30 20 CHED N#Cc1cc(N[C@@H]2CCC[C@H]2CCO)ccc1C(F)(F)F 275024695 MVOKZRITHGGTIZ-IINYFYTJSA-N 298.308 3.540 30 20 CHED N#CCCCSCc1cc(-c2ccccc2)no1 276624248 OPFKKDQCUZUIHD-UHFFFAOYSA-N 258.346 3.879 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 280988937 CDLZSIUMJZEORJ-CYBMUJFWSA-N 289.423 3.600 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(-c2ccccc2)noc1C 281042055 JCGWFXWGZZQIBD-AWEZNQCLSA-N 284.359 3.735 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccco1)C(C)C 281250224 GDMHIJWLXVNVIK-CYBMUJFWSA-N 264.369 3.554 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCC(F)(F)C2)c(F)c1 281968252 JVRVOASDLCTRNZ-LBPRGKRZSA-N 282.309 3.612 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C/c2cncs2)CCCC1(C)C 282618995 HFXFKEUPMBNRNH-NPQIQWPPSA-N 290.432 3.750 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 285547867 SGMFWTDAWZULGD-INIZCTEOSA-N 283.331 3.528 30 20 CHED C=CCN1CCC(N[C@@H](C)c2nccc3ccccc23)CC1 289989376 YHKMKHCBWIBEAD-HNNXBMFYSA-N 295.430 3.536 30 20 CHED Cc1cccc(C2=CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 293681966 BBMRVZQDXBYWSG-QAPCUYQASA-N 266.388 3.776 30 20 CHED CCn1cc([C@H](C)NCc2ccccc2C(C)(C)C#N)cn1 295918805 FFQLOLFVMSIISL-AWEZNQCLSA-N 296.418 3.555 30 20 CHED C=CCCc1noc([C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)n1 297202089 GBZKGFXCCORGHO-UWVGGRQHSA-N 294.276 3.877 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N(C)[C@@H](C)C#N)cc1 297966218 VMNUMLMSKCAKFQ-KGLIPLIRSA-N 272.392 3.674 30 20 CHED C[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)cc1)C1CC1 298354060 GKLCHPFMIYSOAS-CQSZACIVSA-N 290.366 3.924 30 20 CHED CC(C)(C#N)C(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 298827618 SYPUAHZYUTXXED-UHFFFAOYSA-N 291.656 3.814 30 20 CHED CCS[C@H]1CCCCN(c2ccc(F)cc2C#N)C1 301402379 RDWDANUPTYSIHY-AWEZNQCLSA-N 278.396 3.809 30 20 CHED CC(C)CN1CC[C@@H](CNc2cc(Cl)ccc2C#N)C1 301610609 QQZNMZWUELCHCR-ZDUSSCGKSA-N 291.826 3.601 30 20 CHED CO[C@@]1(C)C[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1(C)C 301957567 APUUPEAOYWUJNA-QAPCUYQASA-N 295.386 3.722 30 20 CHED CC[C@@H](C)CN(C)c1ccc2cc(C#N)ccc2n1 301971626 GIULMXNLGRTDHX-GFCCVEGCSA-N 253.349 3.589 30 20 CHED Cc1csc([C@H](C)CNc2c(F)cc(C#N)cc2F)n1 302139603 OGZFJPCHYKWYAZ-MRVPVSSYSA-N 293.342 3.817 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 302201237 SAUPMUCQGGFNKJ-IUODEOHRSA-N 287.363 3.871 30 20 CHED Cc1c([C@@H](C)/N=C(/O)N2CCCCO2)oc2ccccc12 328722414 XMMBJDGDRLXTLR-GFCCVEGCSA-N 288.347 3.744 30 20 CHED CC1(C)CCC(/N=C(/O)[C@H]2C[C@@H]2C2CC2)(C(=N)O)CC1 328930014 HIHSWAVALKWIHF-NEPJUHHUSA-N 278.396 3.863 30 20 CHED Cc1csc(C/N=C(/O)c2coc(C3CCCC3)n2)n1 329924611 JGDJGTFBDIOEGE-UHFFFAOYSA-N 291.376 3.602 30 20 CHED COc1cc(C)cc(/C(O)=N/[C@@]2(C)CC=CCC2)c1O 331360712 YDIVHPJCGDTSFN-INIZCTEOSA-N 275.348 3.513 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 333253366 YVMZVLJHUFSZMA-VKJFTORMSA-N 288.435 3.791 30 20 CHED Cc1ccncc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 334523241 PNPFQXKLHPCYLQ-LIRRHRJNSA-N 291.398 3.990 30 20 CHED N#Cc1csc(CN[C@H]2CCc3sc(Cl)cc32)n1 334594407 VQHGBFSGGQLIFU-VIFPVBQESA-N 295.820 3.507 30 20 CHED C[C@@H]1C[C@H](NCc2ccc(C#N)s2)c2ccccc21 334779368 ZQWUKXOCBBGWRL-BZNIZROVSA-N 268.385 3.958 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@H]2CCSC2)c(C#N)s1 334831702 KGVIQBARYFDSER-VIFPVBQESA-N 294.445 3.609 30 20 CHED Cc1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1F 335952156 LBUGKVPPLYPGBB-UHFFFAOYSA-N 294.329 3.676 30 20 CHED CC1(C)CCC[C@@H](CC(=O)N2CCC(C)(C#N)CC2)C1 336419164 WLUAABOOKGZZNJ-AWEZNQCLSA-N 276.424 3.745 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc(Cl)c(F)c1 336511653 DDZFINCLMOOZNU-UHFFFAOYSA-N 288.709 3.797 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)s1 336568577 IVLMGRBPTXMAJZ-UHFFFAOYSA-N 296.273 3.891 30 20 CHED CCC1(C)CCN(C(=O)Nc2ccc(C#N)cc2)CC1 337964853 XKQGJGPKHNQGPW-UHFFFAOYSA-N 271.364 3.602 30 20 CHED CC1CCC(O)(COc2ccc(C#N)cc2Cl)CC1 339327153 ZDUGGJQYEHQJHH-UHFFFAOYSA-N 279.767 3.532 30 20 CHED Cc1nsc(NCC2(c3ccc(F)cc3)CC2)c1C#N 341736691 XMRAROJXSHZCED-UHFFFAOYSA-N 287.363 3.606 30 20 CHED N#Cc1cccc(C2(NC3CCC4(CC3)CC4)CC2)c1 342797415 FMMIPCJQRKLBDG-UHFFFAOYSA-N 266.388 3.860 30 20 CHED Cc1ccc(CN(CC2(C#N)CC2)C2CC2)cc1C 343313757 KFAYNVNLCNSEOS-UHFFFAOYSA-N 254.377 3.572 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)cc1)CCC2 344695092 BTRVBBTXPZTFED-GOSISDBHSA-N 290.366 3.674 30 20 CHED CC(C)(C)[C@H]1CN(C(=O)C2(C#N)CCC2)c2ccccc21 347448461 RGWHDNSZOZDFOD-AWEZNQCLSA-N 282.387 3.857 30 20 CHED Cc1ccc(CNc2cc(C#N)ccc2OC(C)C)nc1 354865441 HJUMUZDOMPGBME-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CSc1cc(CNc2c(Cl)cccc2C#N)ccn1 357204073 PNVXNWCWBGZCLT-UHFFFAOYSA-N 289.791 3.941 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCc2ccc(F)cc21 357473737 MFSSLAGAPAWTTJ-WBVHZDCISA-N 275.367 3.922 30 20 CHED C=CCOCCCOc1cc(C)cc2ccc(C)nc12 358602958 YFMURDQTZOPJDC-UHFFFAOYSA-N 271.360 3.823 30 20 CHED CCSCC[C@H](C)N(C)Cc1cc(C#N)ccc1F 362450247 JFHUKJHAULAURO-LBPRGKRZSA-N 280.412 3.661 30 20 CHED CCCCCCCCCC(=O)N1CC([C@H]2CCOC2)C1 366225552 RVFDBAXCGVVRKY-HNNXBMFYSA-N 281.440 3.622 30 20 CHED C=CCC[C@@H](CC)NC1(c2noc(C(F)F)n2)CCC1 366486796 YGYVXFWOGWSABB-SNVBAGLBSA-N 285.338 3.721 30 20 CHED N#Cc1ccc(N2CCC(OCC3CC3)CC2)cc1Cl 369769383 JHZBPMZSQUFIMR-UHFFFAOYSA-N 290.794 3.607 30 20 CHED C[C@H](CN(C)c1ccc(C#N)cc1)c1ccccc1 395074997 ZWUWZBXIIRUQBF-CQSZACIVSA-N 250.345 3.798 30 20 CHED CCN(Cc1ccc(CC#N)cc1)c1ccccc1 398988132 JDTHBGWGWTWSPD-UHFFFAOYSA-N 250.345 3.779 30 20 CHED C=CCC1(C(=O)N(C)C2CCC(OC)CC2)CCCC1 410489238 NUKUWLWXWMUIGV-UHFFFAOYSA-N 279.424 3.539 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 410834106 JGQWZOQJQRGEHQ-BFHYXJOUSA-N 264.413 3.599 30 20 CHED CC1(C)CC[C@H](C(=O)N2CCCc3cc(C#N)ccc32)C1 411002318 PHCSMTVFFBAKBW-HNNXBMFYSA-N 282.387 3.664 30 20 CHED N#CCCCCNC(=O)c1csc(C2CCCCC2)n1 412012318 XDXUOYGSEVGVQM-UHFFFAOYSA-N 291.420 3.614 30 20 CHED COCC[C@@H](C)CN[C@@H]1CCCCc2cc(C#N)ccc21 414206747 QCHLAXGHRPQPFP-RDTXWAMCSA-N 286.419 3.588 30 20 CHED N#CC1(CC[S@](=O)c2ccc(F)cc2F)CCCCC1 414244633 SEKJQIMCTAZDTE-FQEVSTJZSA-N 297.370 3.937 30 20 CHED CCc1cc(C(=O)N2CCc3cc(C#N)ccc32)sc1C 416017855 KDORRXUVBXEVDR-UHFFFAOYSA-N 296.395 3.694 30 20 CHED CC[C@H](NC(=O)Nc1cccc(CC#N)c1)[C@@H]1CC1(C)C 417208283 OJSORVZZINDQPC-GJZGRUSLSA-N 285.391 3.699 30 20 CHED CC(C)c1nnc(CSCc2ccc(C#N)cc2)s1 419546655 YYTUBAPGUXNUBI-UHFFFAOYSA-N 289.429 3.967 30 20 CHED Cc1cc(N2CC[C@@H](c3ccccc3C)C2)c(C#N)cn1 425232841 XJNOVJHSLDOSHO-OAHLLOKOSA-N 277.371 3.564 30 20 CHED C=C(C)[C@H](Cc1nc(-c2occc2C(C)C)no1)OCC 426233433 SBYDPSZIEAGJSW-ZDUSSCGKSA-N 290.363 3.977 30 20 CHED N#CCC1(CN[C@H]2CCc3ccc(Cl)cc32)CC1 429782522 ISPBZZLZIZAQFP-AWEZNQCLSA-N 260.768 3.611 30 20 CHED CC(C)Sc1ccc(C(=O)NCC2(CC#N)CC2)cc1 431178560 JTHUERKRGJQREF-UHFFFAOYSA-N 288.416 3.611 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1C[C@H]1Cc1ccccc1 432091496 FWXRTUBGTVJMSY-CVEARBPZSA-N 286.419 3.519 30 20 CHED CC1(C)CCCN(C(=O)CC2CCCCCC2)[C@H]1C#N 434037100 OMEAUQRRUWTKPN-HNNXBMFYSA-N 276.424 3.888 30 20 CHED Cc1cc(OCc2cccc([N+](=O)[O-])c2C)ccc1C#N 434650976 TYVGDCRCUHYXSK-UHFFFAOYSA-N 282.299 3.662 30 20 CHED CCC1(CC)CCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 435268971 QEBRTWZVAWDJMY-UHFFFAOYSA-N 296.414 3.629 30 20 CHED CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(F)(F)F 436091728 PDXRZMAHMJNVNM-BXKDBHETSA-N 299.296 3.657 30 20 CHED CC1=CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 436269339 XOUWHXFUWZUTDS-UHFFFAOYSA-N 295.304 3.589 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)CC1CCCCC1 437485304 YBDAGHWGICUASW-XIRDDKMYSA-N 293.451 3.690 30 20 CHED C[C@@H]1CCN(Cc2cc(F)ccc2C#N)C[C@H](C)C1 443649808 HCTVXQZEJVAZBT-CHWSQXEVSA-N 260.356 3.565 30 20 CHED CC[C@H](N[C@H]1C[C@@](C)(OC)C1(C)C)c1ccc(C#N)cc1 447561354 HYPKHMJZAXHSEW-XYJFISCASA-N 286.419 3.803 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)NC1(C#N)CCCCC1 448848273 YTJUFMWWQQULLI-KGLIPLIRSA-N 262.397 3.545 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1C(C)(F)F 455771725 AGUOAOQJWALPMQ-UHFFFAOYSA-N 268.307 3.886 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 456520637 YURHRDRHUMSSPQ-MPGHIAIKSA-N 287.403 3.660 30 20 CHED CC#CCCCC(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 458030125 PXKVVCZLAPBMRK-ROUUACIJSA-N 283.415 3.975 30 20 CHED C[C@@]1(NC(=O)N[C@H](CCC#N)c2ccccc2)CC=CCC1 458583331 TXGLNMDTVSXKJZ-SJLPKXTDSA-N 297.402 3.829 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC(C)(C)C=C 458982607 BPMRNEPZHHOTRJ-UHFFFAOYSA-N 272.392 3.596 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1ccccc1F)C1CC1 458987371 MARCITXTVIKWFA-UHFFFAOYSA-N 290.382 3.712 30 20 CHED C=C(C)Cn1c(N2CCCC[C@@H]2CC)nnc1C(C)(C)C 460375802 ZAIRMJDSXDJPLI-AWEZNQCLSA-N 290.455 3.921 30 20 CHED COc1ccccc1[C@@]1(C)C[C@H]1Nc1ccc(C#N)cc1F 462879373 QQJIAMMPIGVYLJ-QZTJIDSGSA-N 296.345 3.848 30 20 CHED C=CCN(CC=C)[C@H](CNc1ccc(Cl)cn1)C(C)C 463047276 DJQXZPBXCJOEMW-OAHLLOKOSA-N 293.842 3.846 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)CC(C)(C)C 464348063 KCOCAQVZQFTFJD-CYBMUJFWSA-N 254.418 3.809 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)CC(C)(C)C 464348064 KCOCAQVZQFTFJD-ZDUSSCGKSA-N 254.418 3.809 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 464442722 SVRVDDCOGQTYGM-FJIDUMEYSA-N 287.447 3.997 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CC)c1ccc(Cl)s1 464752465 AWNGAUPGVXSVNP-DTWKUNHWSA-N 272.801 3.726 30 20 CHED C=CCCN(C)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 466963825 GXYLDHUSVMFSSL-NWDGAFQWSA-N 292.345 3.573 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470140773 HOQSELGJGGALCD-JTQLQIEISA-N 295.314 3.600 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC=CCC1 471908380 FDBMEGXHLDDJOK-KRWDZBQOSA-N 284.403 3.883 30 20 CHED C=CCCCCNC(=O)NCc1ccc(C)cc1OCC 472771545 RVIXXNLQNIPQIQ-UHFFFAOYSA-N 290.407 3.549 30 20 CHED C=CCOc1cccc(NC(=O)C(C)(C)C(C)C)c1 473621102 AHSFRXLFYXOJPP-UHFFFAOYSA-N 261.365 3.872 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H](C(C)(C)C)C1 474644436 MAPZBHUDSJHEGN-CQSZACIVSA-N 266.429 3.810 30 20 CHED COc1cc(Cl)ccc1CNc1cccc(C#N)c1 480147713 SBAAYYDXGXUJFY-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CCC(=O)c1ccc(Oc2ccc(C#N)c(C)n2)c(F)c1 488116386 OGNRMBDPPGSIFE-UHFFFAOYSA-N 284.290 3.786 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1CCC1CCCC1 488561754 QWNWFHQZFYAWPC-HNNXBMFYSA-N 264.413 3.707 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(-c2cccs2)on1 489425498 LUFZKPGWLQWBDI-CYBMUJFWSA-N 274.389 3.944 30 20 CHED CN(Cc1cccc(C#N)c1F)Cc1cccc2[nH]ccc12 494117342 SOSRRKBORCZWOA-UHFFFAOYSA-N 293.345 3.811 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]1CSc2ccccc21 495214008 ZHUGOWYPKJYEBB-OCCSQVGLSA-N 288.416 3.584 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cn(CC)c2ccccc12 497485127 GZBXRYRWRCPKMK-UHFFFAOYSA-N 284.403 3.628 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H](C)CC2CC2)c1 497771545 NTRQPNKRJNMCBR-CYBMUJFWSA-N 288.391 3.952 30 20 CHED N#Cc1cnccc1/C=C/C=C\c1ccc(F)c(F)c1 504728579 DVLXBWYZHPFFLF-HSFFGMMNSA-N 268.266 3.958 30 20 CHED CO[C@@H](COc1ccc(C#N)cc1)c1ccc(Cl)cc1 509076169 XMLGDSPUMZPIKP-INIZCTEOSA-N 287.746 3.978 30 20 CHED C[C@H](C#N)CN(C)CCCOc1cccc(C(C)(C)C)c1 511590422 GMVNPSRKNJPDRC-OAHLLOKOSA-N 288.435 3.844 30 20 CHED Cc1ncccc1CNc1nc(C(C)(C)C)ccc1C#N 528186870 PCMAWXKLWKPGBD-UHFFFAOYSA-N 280.375 3.566 30 20 CHED C=CCC(C)(C)c1noc([C@H](OC)c2ccc(F)cc2)n1 528201796 FMZFQTDCHWKEJJ-CYBMUJFWSA-N 290.338 3.798 30 20 CHED C=CCCN1CCC[C@H](Oc2ccccc2Cl)C1 532780395 LCQZWUHINYCTFX-ZDUSSCGKSA-N 265.784 3.759 30 20 CHED CCN(C(=O)c1cnc(C2CC2)s1)c1ccc(C#N)cc1 532794634 PSWRNQGLPKQJBN-UHFFFAOYSA-N 297.383 3.559 30 20 CHED C=CCn1c(SCC(=C)CC)nnc1-c1ccco1 539112265 SKBJSCIVTXFKCG-UHFFFAOYSA-N 275.377 3.782 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@H]1CCC[C@@H](C)C1 540463480 NVSNVDUISGFMFM-CVEARBPZSA-N 281.440 3.787 30 20 CHED C[C@H](C(=O)NC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 540971907 KRJDWLAUWLMDFY-QMMMGPOBSA-N 285.174 3.515 30 20 CHED C[C@H](NCC#Cc1ccc(F)cc1)[C@H](C)c1ccccc1 542542995 BUDQHBRGPDTHBD-HOTGVXAUSA-N 281.374 3.959 30 20 CHED C=CCC[C@H](C)NCCc1c[nH]c2c(C)cccc12 543590952 AAOUBZUVNVRXKF-AWEZNQCLSA-N 256.393 3.963 30 20 CHED COc1ccc(-c2noc(-c3cc(C#N)cs3)n2)cc1C 546420307 YDYYSWSWDGGLGH-UHFFFAOYSA-N 297.339 3.654 30 20 CHED CC[C@@H](CC#N)NC(=O)C(C)(C)CCCc1ccccc1 547292603 RWDCRHYHDNDNKC-INIZCTEOSA-N 286.419 3.844 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2nccc(C#N)c2Cl)C1 553559723 POEVHSAMWWRBEF-GFCCVEGCSA-N 277.799 3.869 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@H]1CCCC[C@H]1O 553826156 XPRYOLPPHFUZEE-QWHCGFSZSA-N 285.840 3.693 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CC[C@H](F)C1)c1ccccc1 554031587 ISNRXZQTBNIHQC-JYJNAYRXSA-N 275.367 3.743 30 20 CHED CC#CCN(C)C(=O)[C@@H](c1cccc(Cl)c1)C(C)C 554688293 GXYMMQRTUIIIEN-OAHLLOKOSA-N 277.795 3.561 30 20 CHED CN(CCC(C)(C)C#N)[C@@H]1CCCc2ccccc21 561687008 BUNLWFNYTBLHGR-MRXNPFEDSA-N 256.393 3.936 30 20 CHED N#Cc1ccncc1C(=O)Nc1cccc(-c2ccccc2)c1 562190243 MLIVFOYIFXFQRI-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(C)oc2C)cc1 566596405 CMTIUDQMLVDVSB-QGZVFWFLSA-N 296.370 3.796 30 20 CHED C=CCN(c1noc2ccc(Br)cc12)C1CC1 567657599 ZAGFRXYQFNRSBR-UHFFFAOYSA-N 293.164 3.745 30 20 CHED C=CCCCCCNC(=O)N(C)[C@H]1CC[C@H](C)C1 568187937 SDRCXNOXSWXCSB-KBPBESRZSA-N 252.402 3.563 30 20 CHED C[C@H](CN1CCC(CCC#N)CC1)c1ccc(F)cc1 574040944 NWJJATZGMGNPPR-CQSZACIVSA-N 274.383 3.945 30 20 CHED C[C@H]1CN(CCCCC#N)c2cccc(Cl)c2O1 576147521 ANTOUYNXYIOOCJ-NSHDSACASA-N 264.756 3.621 30 20 CHED CC[C@H](CN(CC)Cc1ccc(C#N)cn1)c1ccccc1 577646656 RWIRCEXQJUSJPT-QGZVFWFLSA-N 293.414 3.969 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H](C)C(C)(F)F)cc1 580325683 VVSGOOBJAHHLNB-SMDDNHRTSA-N 294.345 3.563 30 20 CHED CCC[C@@H](C#N)NC(=O)CCSc1cccc(Cl)c1 581035287 NGAQINOETAOOLP-LBPRGKRZSA-N 296.823 3.631 30 20 CHED CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@]2(C#N)C[C@H]2C)c2ccccc21 581767562 POZPHYJMXVYTEE-MCPREKNCSA-N 296.414 3.579 30 20 CHED CC(C)C[C@@H](C)CNCc1ccc(C#N)c(Cl)c1 589178215 LQPVCBTVUTZKPR-GFCCVEGCSA-N 264.800 3.983 30 20 CHED Cc1nc(Sc2ncc(-c3ccccc3)[nH]2)ccc1C#N 589859078 YGDUZBBHMSUFRM-UHFFFAOYSA-N 292.367 3.803 30 20 CHED C[C@H]1CC=C(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 590862374 PZUQJQDZFFOHFW-NSHDSACASA-N 288.778 3.574 30 20 CHED CC[C@@H](CC#N)Nc1c(C#N)cnc2c(Cl)cccc12 591932282 WYVCYFGBKDBSJW-NSHDSACASA-N 284.750 3.864 30 20 CHED C=CCC1(NC(=O)CC2(CSC)CC2)CCCCC1 593169103 JOQSDEYAFAKXGJ-UHFFFAOYSA-N 281.465 3.915 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc2oc(C)c(C)c2c1 593615083 IQERMDYTLRAWGY-LLVKDONJSA-N 256.305 3.538 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ncc(-c2cccc(C)c2)s1 593707361 LXCIBVAKODFOBF-NSHDSACASA-N 285.372 3.607 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H](c1cccc(Cl)c1)C(C)C 594097529 OIEJHYZALKRTMO-LSDHHAIUSA-N 292.810 3.840 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[C@H](CC#N)C2)c1 595501549 MIUIHMSJUGDCFB-HZPDHXFCSA-N 299.418 3.700 30 20 CHED CC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 595568428 UWNMZLFYBTVAHP-JKSUJKDBSA-N 285.391 3.519 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 596166412 YDZKHYVZOUIJNU-CYBMUJFWSA-N 285.391 3.663 30 20 CHED CC(C)(C)c1ccn(Cc2ccc(C#N)cc2Cl)n1 596283812 KURYIZKZIXCMIU-UHFFFAOYSA-N 273.767 3.754 30 20 CHED CCC[C@H](C(=O)N[C@@H](C#N)CC)c1ccc(Cl)cc1 597040663 XHZLBZXBMIIVHI-KGLIPLIRSA-N 278.783 3.642 30 20 CHED Cc1ccc2c(c1)CN(CC(C)(C)CCC#N)CC2 597183120 FYRXIIYBUKACDK-UHFFFAOYSA-N 256.393 3.683 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2scnc21 599043773 KYQPJCRZJLHYOA-GJZGRUSLSA-N 295.411 3.669 30 20 CHED C=CCCSCC(=O)Nc1ccc(Cl)c(F)c1 600621662 BJHWBVBDOHYUHZ-UHFFFAOYSA-N 273.760 3.727 30 20 CHED N#CCC[C@@H](NC(=O)C1CCC=CCC1)c1ccccc1 602130804 XJZGGWCXDWTDRT-QGZVFWFLSA-N 282.387 3.894 30 20 CHED C[C@H](CCC#N)CN(C)Cc1c(F)cccc1Cl 602431735 DRGTYNJJIRNZRY-LLVKDONJSA-N 268.763 3.851 30 20 CHED C[C@H](CCC#N)CN(C)Cc1cccc(Cl)c1 602433231 MFFVMZSQLFEWCJ-GFCCVEGCSA-N 250.773 3.712 30 20 CHED C[C@H](CCC#N)CN1CC=C(c2c[nH]c3ncccc23)CC1 602436701 ZHHLCNJOMOEXJF-CQSZACIVSA-N 294.402 3.592 30 20 CHED COc1ccc(C)cc1[C@H](C)NC[C@@H](C)CCC#N 602510261 GLUPEEIXXYMXGJ-KBPBESRZSA-N 260.381 3.594 30 20 CHED CCN(CC)Cc1ccc(CNC[C@H](C)CCC#N)cc1 602512695 MUXOYYJEUIPTKR-MRXNPFEDSA-N 287.451 3.558 30 20 CHED C[C@@H](CCC#N)CNCC1(Cc2ccccc2)CC1 602581106 HFPWWZUOKGHIRB-HNNXBMFYSA-N 256.393 3.539 30 20 CHED N#CCc1ccc(N[C@@H](c2nc[nH]n2)C2CCCCC2)cc1 602615588 YOYFAYOOQDBUEQ-MRXNPFEDSA-N 295.390 3.604 30 20 CHED CC1(F)CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 602767764 JCLWKYWZAZNFBO-UHFFFAOYSA-N 295.745 3.568 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1OC(C)(C)C 604907371 CVRLVWXSOSDMOS-GFCCVEGCSA-N 276.380 3.950 30 20 CHED C[C@H]1CCC[C@@H](CNc2ncc(C#N)cc2Cl)C1 608886031 MPGGXJPNGNMIDJ-WDEREUQCSA-N 263.772 3.845 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(CCC#N)CC(C)(C)C 609191996 WLQYZUNJZAAABK-LSDHHAIUSA-N 278.440 3.991 30 20 CHED CCN(CCC#N)C(=O)[C@H](C)c1c(Cl)cccc1Cl 611211684 ZAHKPWHMUWBEQS-SNVBAGLBSA-N 299.201 3.859 30 20 CHED CC[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)C1CCC(C)CC1 613125372 YIYZJDCXZJWMTP-AJTLQJAISA-N 290.451 3.991 30 20 CHED C[C@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C[C@@H](C)O1 613430611 DLQVUPCQDMILBV-DABQJJPHSA-N 287.407 3.619 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)cc1SC 617253656 WMNJZWJFRLHJKJ-PWSUYJOCSA-N 297.807 3.592 30 20 CHED C=CCCNC(=O)CCc1cccc(OC2CCCC2)c1 617615750 ZCVOWAXBGOMBJD-UHFFFAOYSA-N 287.403 3.633 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(F)cc(C)cc2F)C1 617779316 YSMIHBPNACHPQO-LBPRGKRZSA-N 279.330 3.702 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(C)c1)CC2 618192350 LCIFWRBTYIJYHO-IBGZPJMESA-N 276.383 3.952 30 20 CHED N#C[C@H]1CCC[C@H](NCC2(Cc3ccc(F)cc3)CC2)C1 618571443 QRPPYYVPUWBKJJ-RDJZCZTQSA-N 286.394 3.820 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCc2cc(C#N)ccc21 618802272 DELQXEMIZHGTIR-RDJZCZTQSA-N 254.377 3.880 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCC12CCCC2 618807426 UNOSRACHKWURAJ-SJORKVTESA-N 266.388 3.858 30 20 CHED CC#CCCCC(=O)Nc1ccccc1NC(C)C 618884054 FIMGVYXVZVWDSU-UHFFFAOYSA-N 258.365 3.639 30 20 CHED C=CCCCCNC(=O)c1c(F)ccc(F)c1Cl 621957069 HKOUNYAXKLLFFL-UHFFFAOYSA-N 273.710 3.704 30 20 CHED C=CCCO[C@H](C)c1nc(C2C(C)(C)C2(C)C)no1 624754445 ZEDYMQQAUDBPPB-SNVBAGLBSA-N 264.369 3.873 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Cl)cc1SC 667380216 UWAUUXGQNBMMQD-MRVPVSSYSA-N 270.785 3.758 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccsc1 670174063 LTOMNTBQHQMHRK-DGCLKSJQSA-N 264.394 3.559 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 672463799 HLVJIUUUSDPGSF-RHSMWYFYSA-N 286.419 3.713 30 20 CHED C=CCCCCCn1cnc2sc(C)cc2c1=O 683737692 VMSCQRUWYCDDCI-UHFFFAOYSA-N 262.378 3.513 30 20 CHED C=CC1CCN(c2ncc(C)cc2Br)CC1 684761465 CLRRGBDXCVMIRZ-UHFFFAOYSA-N 281.197 3.555 30 20 CHED C#CCN(C(=O)c1cccc(Cl)c1F)C1CCCCC1 688830456 CMOUKLLEHUFNOQ-UHFFFAOYSA-N 293.769 3.887 30 20 CHED N#Cc1cc(Cl)ccc1NCc1cccc2c1OCC2 692974405 KXOFANRCMJSCAN-UHFFFAOYSA-N 284.746 3.759 30 20 CHED Cc1cc(F)ccc1CCN[C@@H](C)CC(C)(C)C#N 695836338 LVONRWOQYWUQAB-ZDUSSCGKSA-N 262.372 3.595 30 20 CHED N#Cc1cc(F)cc(NC(=O)C23CCC(CC2)CC3)c1 710105390 VUXIHXZZDRWOGC-UHFFFAOYSA-N 272.323 3.606 30 20 CHED CC(C)(C)CCCC(=O)OCCOc1ccccc1C#N 729027968 LJZUOHOLTPTUMD-UHFFFAOYSA-N 289.375 3.697 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(C#N)cc1 731320432 XBFMIOGKIDZLOC-TWGQIWQCSA-N 265.287 3.902 30 20 CHED C#CCOc1ccc(CNCC[C@H](C)c2ccccc2)cc1 733327402 QFOFGRYWONKHSK-KRWDZBQOSA-N 293.410 3.982 30 20 CHED C#CCOc1ccc(NC(=O)Nc2cccc(CC)c2)cc1 733634929 XYPRVQPGRKQGPG-UHFFFAOYSA-N 294.354 3.905 30 20 CHED CCOc1cc(C=NNC(CC)CC)cc(Cl)c1O 734366497 UNPFLZZQRGKTGS-UHFFFAOYSA-N 284.787 3.556 30 20 CHED CCC/C=C/C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 735214261 OZCVNHUBDVCVOG-ZWNMCFTASA-N 288.347 3.968 30 20 CHED C=CCCCOC(=O)c1cnn(-c2ccccc2C)c1C 735528917 VXHSHHJJJFEPRZ-UHFFFAOYSA-N 284.359 3.612 30 20 CHED C=CCCCONC(=N)C12CC3CC(CC(C3)C1)C2 740872962 TVNOUIYMIWAODI-UHFFFAOYSA-N 262.397 3.667 30 20 CHED C#CCCCNCc1cc(-c2ccccc2)ccc1O 742382772 JJLLRAFLXXUQLC-UHFFFAOYSA-N 265.356 3.562 30 20 CHED COCc1cccc(/C=C2\Cc3c(F)cccc3C2=O)c1 742433420 WVURVPVNCUPCRJ-NTEUORMPSA-N 282.314 3.795 30 20 CHED CC(Cc1ccccc1C)=NNc1ccc(C(=O)O)cc1 743418917 MPCGFMANCOEACW-UHFFFAOYSA-N 282.343 3.724 30 20 CHED Cc1cc(NN=Cc2cc[nH]c2)ccc1Br 745194359 AHUUCMDGWCZWFL-UHFFFAOYSA-N 278.153 3.532 30 20 CHED C=CCCCC(=O)OCc1cc(-c2ccccc2)on1 748234407 CLPRWGHJJJOIOU-UHFFFAOYSA-N 271.316 3.741 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1cc(C#N)cs1)CO2 748440709 QMPXKSVFSIKOTP-AWNIVKPZSA-N 295.363 3.895 30 20 CHED CCc1ccc(CC(=O)OCc2ccc(C#N)cc2C)cc1 749156015 ZJGAKSIRFUVZMR-UHFFFAOYSA-N 293.366 3.715 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\SC 751459027 WCGCFDIKBAXMOT-VURMDHGXSA-N 287.837 3.793 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCO[C@H](c2cccc(C#N)c2)C1 753548106 CFGSCQAESMCVGH-LZQZEXGQSA-N 298.430 3.758 30 20 CHED C#CCCCCN[C@@H](c1ccc(F)cc1)c1ccccn1 753688131 SUSDQDSDNBMMHS-SFHVURJKSA-N 282.362 3.703 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cc(Cl)ccc2F)c1 753693457 UIZMMNGYPGCEIN-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CCON=C(COCc1ccccc1)c1ccc(F)cc1 753922640 AZQOWFVNIHKVQC-UHFFFAOYSA-N 287.334 3.783 30 20 CHED C=C(C)COC(=O)[C@H](C)Cc1cccc(Cl)c1 756346411 ZPIICLCHRJQXBA-LLVKDONJSA-N 252.741 3.638 30 20 CHED C[C@H](N[C@H](C)c1cc(F)ccc1O)c1cccc(C#N)c1 756626317 NRILSFLNNIDFPB-NWDGAFQWSA-N 284.334 3.815 30 20 CHED C[C@@H](C#N)OC(=O)CCCc1csc2ccccc12 756655793 XTFPNDTYZNTQAB-NSHDSACASA-N 273.357 3.679 30 20 CHED C#CC[C@H](NC(=O)c1ccccc1SC)c1ccccc1 758006832 RRJXEYWLJBDTCK-INIZCTEOSA-N 295.407 3.903 30 20 CHED Cc1cc(C)cc(NN=Cc2nc(Cl)cs2)c1 758094830 GGZSEVUNTIRDLG-UHFFFAOYSA-N 265.769 3.859 30 20 CHED N#Cc1cnc(NC(=O)CCCC2CCCCC2)s1 759631661 KFKATWQSOLJZRK-UHFFFAOYSA-N 277.393 3.704 30 20 CHED COc1ccc(C(=O)/C=C\c2cnc(Cl)c(C)c2)cc1 760264136 KHDVQDFTWREXOT-BAQGIRSFSA-N 287.746 3.948 30 20 CHED Cc1cc(/C=C2\CCc3cc(O)ccc3C2=O)cnc1Cl 760266488 VLOUFSWCYSWGPB-NTUHNPAUSA-N 299.757 3.962 30 20 CHED Cc1ccc(C=NNc2cccc3ccccc23)nc1 761813154 ULWJBHWZVRYTNT-UHFFFAOYSA-N 261.328 3.989 30 20 CHED CCCOc1ccc(C(C)=NOCC(F)(F)F)cc1 764845300 SEPCTDZVDMRUAA-UHFFFAOYSA-N 275.270 3.778 30 20 CHED CCO[C@H]1CCCC1=NNc1cccc(Br)c1 766432920 DTNBVXYJVJICBW-ZDUSSCGKSA-N 297.196 3.806 30 20 CHED CC(=NNc1ccccc1Cl)c1cncc(C)c1 767359333 PBHIGQMGLGCVND-UHFFFAOYSA-N 259.740 3.880 30 20 CHED Cc1cc(Cl)ccc1C=NNCc1ccccc1 767368208 QJUHCSHGCLPEPJ-UHFFFAOYSA-N 258.752 3.772 30 20 CHED C#C[C@H](CC)OC(=O)c1coc(-c2ccccc2Cl)n1 768062429 XCFODJWWCJJJGH-SNVBAGLBSA-N 289.718 3.564 30 20 CHED Cc1ccc(C(=O)OCC2(C#N)CCC2)cc1-n1cccc1 768092372 XJEVYGRKXBGDAC-UHFFFAOYSA-N 294.354 3.636 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2cnnc3ccccc23)C1 768361090 BPYSCNJCLFTDGM-CHWSQXEVSA-N 268.364 3.854 30 20 CHED C=CCN(Cc1c(C)nn(-c2ccccc2)c1C)C(C)C 768547965 UTWWCMYPPXBNNW-UHFFFAOYSA-N 283.419 3.886 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H]1CCO[C@H](C)C1 769734700 DOJRBEJAWZEGBG-CVEARBPZSA-N 298.471 3.946 30 20 CHED CCC(=NNCC(F)(F)F)c1c(F)cccc1Cl 769810820 OTSNDTGEQVNECI-UHFFFAOYSA-N 282.668 3.745 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cn(C)nc1CC 770688060 GGRXIHIZVXQVJK-AWEZNQCLSA-N 293.455 3.709 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2O)ccc1C 773144060 VRDJIDDNLPGHCR-KTKRTIGZSA-N 268.312 3.605 30 20 CHED CCOCCON=C1CCC[C@H]1c1ccc(F)cc1 774413565 CNMIIKGGIPIPDM-AWEZNQCLSA-N 265.328 3.502 30 20 CHED O=C(/C=C\c1cscc1Cl)c1cscn1 776190802 BVWYVRHXQZUGFF-UPHRSURJSA-N 255.751 3.754 30 20 CHED Cc1ccc(C)c(OC(=O)Cc2ccccc2CC#N)c1 776731805 DQVBSCLZIGGMRC-UHFFFAOYSA-N 279.339 3.518 30 20 CHED FC(F)(F)CCON=C1CCc2cc(Cl)ccc21 777459731 KZZIDPWRQJFIIO-UHFFFAOYSA-N 277.673 3.959 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1cncc(F)c1 777787878 ZMCWOUMIDCFHPQ-LBPRGKRZSA-N 266.360 3.758 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2cccc(Cl)c2)c(F)c1 777879605 RYUOGPQTXOGQQS-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C=CCC[C@H](C(=O)OCc1cc(C)n(C)n1)c1ccccc1 778550975 FFFNHHBADNTLBY-KRWDZBQOSA-N 298.386 3.522 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H](C#N)Cc1ccccc1 779712858 MMPDITKPVDOOEE-HOCLYGCPSA-N 291.354 3.524 30 20 CHED C#CCCCCCC(=O)N(C1CC1)[C@H](C)c1ccco1 779859263 JRBQUCFSZMWOBJ-CQSZACIVSA-N 273.376 3.915 30 20 CHED CCC(C)(C)CC(=O)Nc1ccccc1O[C@H](C)C#N 780156491 FHGNENZKGZWSEE-GFCCVEGCSA-N 274.364 3.742 30 20 CHED CO[C@H](C(C)=NNc1cc(Cl)ccn1)c1ccccc1 782268125 NCUFRRMUWNTDDL-OAHLLOKOSA-N 289.766 3.911 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1cccc(C(=O)O)c1 783772086 JOUBCHOQBPCTKW-AAEUAGOBSA-N 260.337 3.609 30 20 CHED C=C(Cl)CN1CCC(Cc2cccc(OC)c2)CC1 784304518 YBOZIXKDRJMSHR-UHFFFAOYSA-N 279.811 3.702 30 20 CHED C=CCCCCCOC(=O)[C@@H](C)Nc1nc(C)cs1 784544492 LUMCYHDRKXAHAK-GFCCVEGCSA-N 282.409 3.542 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(C#N)cc1Cl 785761561 KHSKHIMHTZKDJN-HNNXBMFYSA-N 277.751 3.857 30 20 CHED CC(C)(C)CC(=NN=c1cc[nH]cc1Cl)C1CC1 787164188 WZTIYPZHBJCXHY-UHFFFAOYSA-N 265.788 3.771 30 20 CHED C#CCN(C)C(=O)Nc1cc(Cl)ccc1SC(C)C 788038181 XNLRHTVMCQRPFV-UHFFFAOYSA-N 296.823 3.937 30 20 CHED CCOc1cccc(/C=N\[C@@H]2C[C@H]2c2cccc(F)c2)c1O 788316971 DVTYBNIWQURSAY-ZMMDKTBSSA-N 299.345 3.905 30 20 CHED CCC[C@@H](C)C(CC)=NN[C@@H](CO)c1ccccc1 788459243 DCHJUKVZNNQCBJ-CJNGLKHVSA-N 262.397 3.512 30 20 CHED C=C(CC)COC(=O)c1cc(C(F)(F)F)cnc1Cl 789011572 AROHPRKIXJKMOS-UHFFFAOYSA-N 293.672 3.877 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(-c3ccccc3)o2)n(C)n1 789157366 ZICLEFNKBHERRE-CSKARUKUSA-N 292.338 3.885 30 20 CHED COc1ccc(CCC=NNc2ncccc2C)c(C)c1 790192949 LBDGAVWGYDGGQQ-UHFFFAOYSA-N 283.375 3.738 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc(Cl)ccc1SCC 791741135 JTXKQEREQDGKIQ-LBPRGKRZSA-N 295.835 3.984 30 20 CHED CCCCCCCCCN1CC[C@@H](CN(C)C)C1 792232301 OQMMAEWTTLVCBS-INIZCTEOSA-N 254.462 3.621 30 20 CHED CC1(CNN=Cc2cscc2Cl)CCCC1 793084312 KWTAVBNHURRNAO-UHFFFAOYSA-N 256.802 3.905 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1Cc2cccc(O)c2C1 793588328 IWURYHLTCMUVLK-HOCLYGCPSA-N 273.420 3.974 30 20 CHED CC[C@@H]1CCC[C@H](C=NNCCC(F)(F)F)C1 794553648 WSDKYNJHJHJQIK-MNOVXSKESA-N 250.308 3.731 30 20 CHED O=C1/C(=C2/COc3ccc(F)cc32)CCc2ccc(O)cc21 794959480 AXJSQIBMEIFPAQ-SSZFMOIBSA-N 296.297 3.506 30 20 CHED C/C(C=NNc1cccc(F)n1)=C\c1ccccc1 795009478 AGLORPVSGWRIKH-LLFMZYGCSA-N 255.296 3.722 30 20 CHED C#C[C@H](NC(=O)c1cc(Cl)ccc1SCC)C(C)C 799048439 JUXNDDVTEHQGJW-ZDUSSCGKSA-N 295.835 3.840 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(C#N)c1 799309060 ZAXRRBGLKCNQSG-XJKSGUPXSA-N 270.376 3.565 30 20 CHED C=CCc1ccc(OC(=O)C(C)(C)CSC)c(OC)c1 799861446 SHHAYMKMLJICCY-UHFFFAOYSA-N 294.416 3.718 30 20 CHED c1cc2sccc2c(NN=C2CCC23CCOCC3)n1 799876207 MKIXLTSRVWMGTR-UHFFFAOYSA-N 287.388 3.655 30 20 CHED C#CCOc1ccc(CNCC2CCC(F)(F)CC2)cc1 800293658 HTFXZLVEGXKTRF-UHFFFAOYSA-N 293.357 3.614 30 20 CHED COC(=O)c1c(F)cccc1NN=C[C@H]1CCCC[C@H]1C 800818009 CHABYBPDFCPAOE-VXGBXAGGSA-N 292.354 3.836 30 20 CHED C#CC[C@H](NCCSC(C)(C)C)c1ccccc1 801937907 XVIPERFPNTVWOX-HNNXBMFYSA-N 261.434 3.872 30 20 CHED COc1cc(Cl)ccc1CSCCO[C@H](C)C#N 802753360 ZFBFDSJRHJAYJZ-SNVBAGLBSA-N 285.796 3.510 30 20 CHED C#CCC1(C(=O)OCCSC(C)C)CCCCC1 803456646 CEZQKUNLTRMOOK-UHFFFAOYSA-N 268.422 3.645 30 20 CHED C[C@@H](CC(=O)OCCCSCC#N)C1CCCCC1 805433710 LANHOWGERMZOSR-ZDUSSCGKSA-N 283.437 3.783 30 20 CHED C[C@H](CC(=O)OCCCSCC#N)c1ccccc1F 805439308 STXPJKNORKQFQX-GFCCVEGCSA-N 295.379 3.509 30 20 CHED Cn1cc(NN=C(CCC(C)(C)C)c2cscn2)cn1 807984839 GNBSZKYGOJPGAI-UHFFFAOYSA-N 291.424 3.519 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@H]1C[C@H]2C=C[C@H]1C2 807991616 QKQTZSQUENXISL-RWMBFGLXSA-N 271.320 3.513 30 20 CHED COc1ccc(C=NNc2nccnc2C2CCC2)cc1C 807993787 FIGKHJFLDDVWFD-UHFFFAOYSA-N 296.374 3.507 30 20 CHED C#C[C@H](C)NCc1ccc(-c2ccc(F)cc2)s1 809683491 DHQIGCWNAKCTBH-NSHDSACASA-N 259.349 3.666 30 20 CHED FC(F)CNN=Cc1ccc(C2CCCC2)cc1 812226986 YIGZHRDRRWGSPE-UHFFFAOYSA-N 252.308 3.533 30 20 CHED C[C@H]1C[C@H](C(=O)O)CCC1=NNc1ccc2ccccc2n1 814697473 PTVQEYBXZMUHQO-WCQYABFASA-N 297.358 3.524 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](c1ccccc1)C(C)C 814858007 GOYSTPSIYATLFX-ZDUSSCGKSA-N 267.319 3.711 30 20 CHED CC(=NNC1CCCCC1)[C@@H](C)CCCCC(=O)O 814909310 KGTROSMJCKORMP-LBPRGKRZSA-N 268.401 3.566 30 20 CHED Cc1cc(C)c(C(=O)O)cc1C=NN[C@@H]1CCCC1(C)C 814917779 RAIIKUJWXPSWQE-OAHLLOKOSA-N 288.391 3.504 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@]2(C)CC2(F)F)s1 817735416 ZSGPFTBLWPITAV-SDBXPKJASA-N 298.358 3.662 30 20 CHED C=CCN(C(=O)C[C@@](C)(O)c1ccccc1)c1ccccc1 819985201 GJJNKQSJSQQQLA-LJQANCHMSA-N 295.382 3.503 30 20 CHED C#Cc1cccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)c1 825227291 RUOJJPQQRBEWIG-GUYCJALGSA-N 265.356 3.674 30 20 CHED C[C@@H]1CCCC1=NNc1ccc(C(=O)O)c(Cl)c1 833607910 JSZGMURHZBWUTR-MRVPVSSYSA-N 266.728 3.626 30 20 CHED C=CCCCCNc1cc(OC)c(OC)cc1F 834548575 OXDMFTCQXOAKPT-UHFFFAOYSA-N 253.317 3.611 30 20 CHED FC(F)(F)c1ccnc(NN=C2CCC[C@H]3C[C@@H]23)c1 834984106 NZDMMPQDRBROSU-WCBMZHEXSA-N 269.270 3.688 30 20 CHED N#CC1(COC(=O)C2(Cc3cccc(Cl)c3)CC2)CC1 835415072 XOJBPVLEMJPONU-UHFFFAOYSA-N 289.762 3.510 30 20 CHED CC(C)(C)C#CC(=O)N(Cc1ccccc1)CC1CCC1 837366357 UZDQTCFISMPJQE-UHFFFAOYSA-N 283.415 3.865 30 20 CHED C=CCC1(C(=O)OCc2nnc(C(C)C)s2)CCCC1 838283415 DQZUYQBVKWGXCL-UHFFFAOYSA-N 294.420 3.841 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCn2ccc3ccccc32)C1 839045964 ZHKAVYQGAGIZEH-GDBMZVCRSA-N 296.370 3.657 30 20 CHED CC/C(=C/C(=O)NCC1(C#N)CCC1)c1ccc(C)cc1 841467425 RTKRLOIVMNKJPG-PTNGSMBKSA-N 282.387 3.599 30 20 CHED CC(=NO[C@@H](C)c1noc(C)n1)c1cc2ccccc2o1 842018188 YWENUYWGHFBFLG-JTQLQIEISA-N 285.303 3.626 30 20 CHED Cc1ccc(C2(C(=O)[C@H](C#N)c3ccccn3)CCC2)cc1 842683912 FRVDLPGQEFCGMV-MRXNPFEDSA-N 290.366 3.688 30 20 CHED N#C[C@@H](C(=O)/C=C\c1ccco1)c1nc(C2CC2)cs1 842939807 XXHVIYZQEPQKQV-FJOGCWAESA-N 284.340 3.503 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2CCC(C)=C(C)C2)c1 843543540 ONNBPHPACYXCAL-INIZCTEOSA-N 267.372 3.767 30 20 CHED CC/C(=C/C(=O)N(C)[C@H](C#N)CC)c1ccc(C)cc1 847168014 KVQHKTRVXWQHPR-QBOMHBFWSA-N 270.376 3.549 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCCCC2CCC2)cc1 850379313 KRDYXXABPGPEHD-AWEZNQCLSA-N 272.392 3.647 30 20 CHED Cc1ccccc1C=NOCC(=O)Nc1cccc(C)c1C 852220838 YZGCQAAPVZIURX-UHFFFAOYSA-N 296.370 3.601 30 20 CHED CC(C)(C)OC(=O)C1CCC(=NOCC2CCC2)CC1 853439625 NGJMWZFEBKXWFQ-UHFFFAOYSA-N 281.396 3.691 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H]2C[C@H]2C1 856058265 HBXLQVZYYCDINV-GJZGRUSLSA-N 251.414 3.996 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1ccccc1C 860197417 BYNWKPXEAKHLNZ-CYBMUJFWSA-N 259.349 3.929 30 20 CHED CCCCCCCNC(=O)/C=C\c1scnc1C 862357541 XNUPVDYTZOQFPN-HJWRWDBZSA-N 266.410 3.551 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OCCC)c(OC)c1 863842555 CXYQESUPBZMUBC-UHFFFAOYSA-N 299.317 3.634 30 20 CHED C=C(CNC(=O)C1([C@H]2CCCCO2)CCC1)c1ccccc1 868347233 KCUGITGKTAXARF-QGZVFWFLSA-N 299.414 3.555 30 20 CHED C#CCCCCCCNc1cccc2c1CCN2C(C)=O 877397705 JZJWCIRCYZHLDI-UHFFFAOYSA-N 284.403 3.591 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(NC(=O)CC)cc1 878264970 JIDNLYHLAYFZHR-UHFFFAOYSA-N 274.364 3.576 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(Cl)c(NC(C)=O)c1 878426758 OQUMWUVTISUQKL-UHFFFAOYSA-N 294.782 3.839 30 20 CHED CC#CCCCC(=O)Nc1ccc(O)c(C(C)C)c1 882655494 QCPSQUHTGWEEGG-UHFFFAOYSA-N 259.349 3.648 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2cccnc2)CCCCC1 889671237 DTXFQPJXXYPAHD-HNNXBMFYSA-N 286.419 3.655 30 20 CHED C=CCC[C@@H](C(=O)NC/C=C/Cl)c1ccccc1 891205079 PCCZFGDOZFWFQH-DPQIITEBSA-N 263.768 3.605 30 20 CHED CCN(Cc1cnc(F)cc1C)[C@H](C)c1ccc(C#N)cc1 891657693 ZWIZCBMUSUFWSV-CQSZACIVSA-N 297.377 3.984 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(OC)cccc1SC 891852140 MJCHHJUOBHECJI-UHFFFAOYSA-N 279.405 3.958 30 20 CHED CCCCC[C@H](CC)C(=O)N(CC#N)c1ccccn1 892471774 VBTJOOFWKGUQAQ-AWEZNQCLSA-N 273.380 3.545 30 20 CHED O=C(/C=C\c1cnn(CC2CCC2)c1)c1cccc(F)c1 899336311 SAVJHZZWTPSQHT-FPLPWBNLSA-N 284.334 3.718 30 20 CHED CCn1cc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)c(C)n1 899367158 WRCMBMQJGIELPZ-ZXMBATIKSA-N 292.382 3.911 30 20 CHED N#CC1(CCCCSc2n[nH]c(C3CC3)n2)CCC1 901445517 CDSDNLKEFOPBAF-UHFFFAOYSA-N 276.409 3.638 30 20 CHED CC(C)n1cncc1/C=C1/Cc2c(Cl)cccc2C1=O 901466802 AEGIRZPCOJBFQX-WDZFZDKYSA-N 286.762 3.940 30 20 CHED C=CCC[C@@H](NC1CC(c2ccc(Cl)cc2)C1)C(=O)O 901690130 KURORJPXYXVPEM-PESDSKBTSA-N 293.794 3.595 30 20 CHED CC(C)(C)c1noc(C(C)(C)Oc2ccc(C#N)cc2)n1 903269543 AKSVOPJRIHDRLX-UHFFFAOYSA-N 285.347 3.553 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2ccc(SC)cn2)no1 904091981 RGBZWDZOAQHLRM-JTQLQIEISA-N 275.377 3.608 30 20 CHED N#CCCCCOC(=O)/C=C/c1ccc(Cl)s1 914620853 KQUSZBCCBGAALG-FNORWQNLSA-N 269.753 3.652 30 20 CHED CCCCCC(C)=NNc1nnc(-c2ccccc2)n1C 915968942 MZOGTBLXUKKRJT-UHFFFAOYSA-N 285.395 3.850 30 20 CHED CCCCOc1ccc(C=NNc2ccccn2)cc1 916276063 IPDUETSDCBXASC-UHFFFAOYSA-N 269.348 3.707 30 20 CHED CC(C)(C#N)CCCCn1ccnc1C(F)(F)F 919909801 ZMJSKHICWHIRRN-UHFFFAOYSA-N 259.275 3.622 30 20 CHED Oc1ccccc1C=Nc1ccccc1Br 920943619 WMWRJPUXIINVBX-UHFFFAOYSA-N 276.133 3.905 30 20 CHED CCOc1ccc(/C=N/CCc2ccccc2F)c(O)c1 920944049 OHJIBFGSNSGDMW-XDHOZWIPSA-N 287.334 3.592 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C1(Cl)CC1 926603977 XVWDFIMISWUHNV-ABAIWWIYSA-N 274.795 3.685 30 20 CHED CC(C)c1cccc(NC(=O)N2CCC[C@H](C#N)C2)c1 929335607 WPPXEFWFUQHIKS-CYBMUJFWSA-N 271.364 3.577 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(CC2CC2)C(C)C)c1 931701232 PGYYPFNIVOCHKW-UHFFFAOYSA-N 271.364 3.519 30 20 CHED CC(C)(C#N)CCN[C@H]1CC2(CCC2)Oc2ccccc21 932215350 XRNZDYUMSSEATM-HNNXBMFYSA-N 284.403 3.962 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1cccc(OCC)c1 1120594496 PNHXNNQTFVLCOR-CYBMUJFWSA-N 261.365 3.619 30 20 CHED Cc1cc(C)c2oc(NC(=O)c3ccsc3C#N)nc2c1 1126638099 RDPVZSRQRKTTEL-UHFFFAOYSA-N 297.339 3.630 30 20 CHED CC1CC(C#N)(C(=O)NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C1 1136488264 JQJSNUUJYPJUST-YOUGENKZSA-N 290.451 3.751 30 20 CHED C[C@@H](C#N)Sc1nc2cc(Br)ccc2o1 1166624946 JDAMIUUTXCBAFW-LURJTMIESA-N 283.150 3.594 30 20 CHED CCCC1CCN(c2c(C#N)nnc3ccccc23)CC1 1252467821 WQLSJTRXWYSNPZ-UHFFFAOYSA-N 280.375 3.518 30 20 CHED CC#CCCCc1nnc(CCCc2ccccc2)o1 1261575755 SIILUANBXYNYHM-UHFFFAOYSA-N 268.360 3.591 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 1264923715 OZZNSDUZXYHFPC-RISCZKNCSA-N 274.339 3.852 30 20 CHED C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]1C 1301045069 PMXPVXHBJBRFDK-GFCCVEGCSA-N 296.846 3.608 30 20 CHED N#Cc1ccc(Oc2ccncc2C(F)(F)F)c(F)c1 1306997814 GBITTYDTCMRBGE-UHFFFAOYSA-N 282.196 3.903 30 20 CHED Cc1c([C@@H](C)NCc2cc(C#N)ccn2)oc2ccccc12 1307678552 KXXKFHATNWUKOV-CYBMUJFWSA-N 291.354 3.859 30 20 CHED C=C[C@@H](COC)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 1320313366 TWCFFUPMCCAQIF-DLBZAZTESA-N 275.367 3.552 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1320430369 DBDZSHUGISWFIO-SECBINFHSA-N 255.720 3.623 30 20 CHED CC[C@@H]1C[C@H](C)CC[C@H]1NCc1cccc(OCC#N)c1 1320578598 WTGUKAQRJXIVJE-QGPMSJSTSA-N 286.419 3.893 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 1322087534 BAUTVNUHKLCSCD-CSKARUKUSA-N 293.322 3.980 30 20 CHED CCCc1nc(C)c(NC(=O)c2csc(C#N)c2)s1 1326500994 BGINHQYAIVYGSM-UHFFFAOYSA-N 291.401 3.590 30 20 CHED CC[C@](C)(C#N)c1nnc(-c2cc(C)nc3ccccc23)o1 1327319060 ULIMUVSOBLPXJQ-QGZVFWFLSA-N 292.342 3.785 30 20 CHED C[C@H]1CC=C(c2nnc(-c3cccc(C#N)c3)o2)CC1 1327864401 KPQRCIZWNSNSGR-NSHDSACASA-N 265.316 3.812 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H](F)C1 1332339427 JJVYZHFDTRZZJL-INMHGKMJSA-N 272.367 3.806 30 20 CHED C[C@H]1Cc2cc(CNc3cccc(OCC#N)c3)ccc2O1 1336750022 DGGYAJLIHISULG-ZDUSSCGKSA-N 294.354 3.524 30 20 CHED CCCC1CCC(N(C)c2cccc(CC#N)n2)CC1 1338928790 MNIUALPLJRHHLN-UHFFFAOYSA-N 271.408 3.943 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@H](C(C)(C)C)C1 1339830788 VOSNHHRFLKMJCB-NSHDSACASA-N 298.381 3.664 30 20 CHED C=C[C@H](C)NC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1340246933 XPAVGZMQPPXPKV-AWEZNQCLSA-N 271.404 3.922 30 20 CHED N#Cc1cccc(-c2nnc([C@@H]3CCC(F)(F)C3)o2)c1 1349987238 VFDVKEXEDDIAHC-LLVKDONJSA-N 275.258 3.511 30 20 CHED C=CCn1cnnc1SCc1cccc(C(C)C)c1 1350429364 VZCFVHUDUIMIJE-UHFFFAOYSA-N 273.405 3.880 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1csc(C#N)c1 1352772308 ITRVJTWQYYHBAE-KBPBESRZSA-N 290.432 3.954 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@@H](C#N)C2)c1 1455571532 ZOXCBDOEPUIMSW-RDJZCZTQSA-N 298.430 3.751 30 20 CHED CN(C)CCN(Cc1ccc(C#N)cc1)CC1CCCCC1 1462210881 OAKUKKJJOYWGFX-UHFFFAOYSA-N 299.462 3.502 30 20 CHED Cc1cc(Nc2ccc(-c3ccon3)cc2)c(C#N)cn1 1472884557 IMOUWZXCTPGGGI-UHFFFAOYSA-N 276.299 3.660 30 20 CHED C=C(Br)CN1CC[C@H](Cc2ccccc2)[C@@H]1C 1473216050 PHLZFUCQKDIXSA-DZGCQCFKSA-N 294.236 3.848 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NCc2ccc(C#N)s2)C1 1473553627 MCWMDVBHKFPLOF-RWMBFGLXSA-N 262.422 3.924 30 20 CHED C[C@@H](c1nccc2ccccc12)N1CCC[C@H](C#N)C1 1474703820 DHYQXJOZVYAUHZ-UONOGXRCSA-N 265.360 3.531 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(F)c1 1521390117 VBRPNEJTMILYIM-LBPRGKRZSA-N 282.318 3.515 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)C1CCCCCC1 1528452574 SRFFFNMLOUBMPN-NSHDSACASA-N 276.405 3.708 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccoc1Cl 1529666986 SCLNQYJNSGPODE-SNVBAGLBSA-N 288.734 3.638 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N(C)c1ccccc1C#N 1533822299 VMOHRARVYJBTPE-CQSZACIVSA-N 278.355 3.633 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2cscc2Cl)c(F)c1 1533985809 UBBSKZXORPDBKU-UHFFFAOYSA-N 298.701 3.804 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCCC1CCCCC1 1536522253 VUEQGSQYYXSSHF-HNNXBMFYSA-N 264.413 3.888 30 20 CHED Cc1coc2ccc(NC(=O)c3csc(C#N)c3)cc12 1539099265 KKVYFWZWFICEBM-UHFFFAOYSA-N 282.324 3.927 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(-c2ccccc2)cc1F 1540822664 GSHBRYWHGWSKFP-GFCCVEGCSA-N 282.318 3.981 30 20 CHED CCC[C@H](Nc1ncc(C#N)cc1Cl)C1CCC1 1559209906 UERROVGKLRKHMB-ZDUSSCGKSA-N 263.772 3.987 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1Cc1cc(C#N)ccc1OC 1559647536 JYADYDDMMNTUBP-PBHICJAKSA-N 286.419 3.967 30 20 CHED C=CCCCCCN(C)[C@H](C)c1cccc(-c2nn[nH]n2)c1 1588593975 NNRDQBQXPRHBTD-CQSZACIVSA-N 299.422 3.606 30 20 CHED C=CCCCNCc1ccc(-c2ccccc2C(=O)O)o1 1588804068 ZSVFSVLKYKGINJ-UHFFFAOYSA-N 285.343 3.701 30 20 CHED C[C@@]1(C(=O)Nc2cc(F)cc(C#N)c2)CCc2ccccc21 1596856208 NVAUISCWFKXFRW-GOSISDBHSA-N 294.329 3.540 30 20 CHED Cc1cccc2oc(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)cc12 1596978904 QZZSSBYEDOJZIV-CHWSQXEVSA-N 283.327 3.980 30 20 CHED C[C@@H](CN(C)c1ccnc(C#N)c1)C1CCCCC1 1640263235 ZNNUHFHOUIALFJ-ZDUSSCGKSA-N 257.381 3.606 30 20 CHED Cc1cc(Oc2ccc3ncccc3c2)ncc1C#N 1642134559 LHOVFIPOADIWHJ-UHFFFAOYSA-N 261.284 3.602 30 20 CHED Cc1cccc(CCNc2ncc(Cl)c(C)c2C#N)c1 1642192832 YWMCJHIYLSRKJB-UHFFFAOYSA-N 285.778 3.878 30 20 CHED CC[C@@H](NCc1cc(C#N)ccn1)c1ccc(C)c(F)c1 1642415332 BCSYNOCQSOEOGG-QGZVFWFLSA-N 283.350 3.642 30 20 CHED CCC(=O)c1ccc(Oc2cc(C)ncc2C#N)cc1 1651303564 XWGCIRSHPQASPT-UHFFFAOYSA-N 266.300 3.647 30 20 CHED Cc1c(C#N)c(SCC2(C#N)CCCC2)nc2c1CCC2 1652516953 XYGMOCYLLCYJGJ-UHFFFAOYSA-N 297.427 3.926 30 20 CHED C=C(Cl)CN1CCc2c(Cl)cc(F)cc2C1 1654599258 JLWDFTPOCWQIBR-UHFFFAOYSA-N 260.139 3.590 30 20 CHED Cc1c(Cl)cnc(NCC2CCCCC2)c1C#N 1654901832 ZNZIECVLDVADMO-UHFFFAOYSA-N 263.772 3.907 30 20 CHED COc1cccc(NCc2ccc(C#N)c(C)c2)c1C 1657672815 UEGFAEORBQAXCZ-UHFFFAOYSA-N 266.344 3.796 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)c(C(=O)O)c2)cc1 1777352285 ZASZPPPZCFPRQH-YHYXMXQVSA-N 296.322 3.598 30 20 CHED C[C@@H]1/C(=C/c2cccc(O)c2)C(=O)c2c(O)ccc(F)c21 17995773 WIHGUQPYBAUFPV-ZPBHHCQCSA-N 284.286 3.620 30 20 CHED C[C@@H](CCc1ccccc1)Nc1ccc(C#N)cc1 20012729 LLIQWPZIJOQELP-AWEZNQCLSA-N 250.345 3.991 30 20 CHED C[C@@H](N[C@H](C)c1ccccc1O)c1ccc(C#N)cc1 36991930 SQUYPRBQLXODON-CHWSQXEVSA-N 266.344 3.676 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCc2cccc(C#N)c2)o1 37748569 NVUXSFKBAFYIMN-MLGOLLRUSA-N 266.344 3.564 30 20 CHED CCCOc1cccc(CNc2cccc(C#N)c2)c1 38038254 GXAPCAUHDZTUII-UHFFFAOYSA-N 266.344 3.959 30 20 CHED CCC(CC)CN(CC)C(=O)NCc1ccc(C#N)cc1 46045614 JPBUQSTWHFOUET-UHFFFAOYSA-N 287.407 3.526 30 20 CHED C[C@H]1CCCC[C@H]1Nc1snc(Cl)c1C#N 48544426 SVHROZKJLIXDMK-IONNQARKSA-N 255.774 3.659 30 20 CHED CN(CCCNc1cccc(F)c1C#N)Cc1ccccc1 57877739 BNHOMZAKJKOYBP-UHFFFAOYSA-N 297.377 3.631 30 20 CHED CCCCCCCCCC(=O)N1CCC(C(=O)OC)CC1 59253107 CIQABEGOFMAUHS-UHFFFAOYSA-N 297.439 3.539 30 20 CHED Cc1ccc(F)c2c1N(C(=O)c1ccc(C#N)cc1)CCC2 66786785 GOFFCTMZAZLPBM-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66953620 SQBMTLBKBOENGB-UHFFFAOYSA-N 293.326 3.658 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@@H](C(C)C)CC2)n1 71029198 OXFYPQGUGNFJCG-OAHLLOKOSA-N 271.408 3.833 30 20 CHED C[C@@H](OC(=O)CCC1CCC1)c1ccc(C#N)cc1 79172984 YGHVTECTNZNJSO-GFCCVEGCSA-N 257.333 3.743 30 20 CHED CC(C)(C)c1cnc(CNc2ccc(F)c(C#N)c2)o1 85276402 OIDCDXAJLXGYLJ-UHFFFAOYSA-N 273.311 3.595 30 20 CHED C=CCC[C@H](NCc1cccnc1OCC(F)F)C1CC1 90942087 DNMMGUHZSMSIQA-AWEZNQCLSA-N 296.361 3.560 30 20 CHED C[C@H](C1CC1)N(Cc1ccc(N(C)CCC#N)cc1)C1CC1 92009791 YKDZTQWBOIHFIA-OAHLLOKOSA-N 297.446 3.799 30 20 CHED C[C@@H](CCO)N(CCCC(C)(C)C#N)Cc1ccccc1 93302932 NSIXHFHEHZYCMD-INIZCTEOSA-N 288.435 3.589 30 20 CHED C[C@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)CS1 94472809 WHARJHPLDMDCBS-GXTWGEPZSA-N 276.405 3.675 30 20 CHED CCc1ccccc1CNc1ccc(C#N)c([N+](=O)[O-])c1 94592031 FXBAQPFMQBKDHY-UHFFFAOYSA-N 281.315 3.641 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc(C)c1O 96765843 ABOKXFNBNQXGOA-YHYXMXQVSA-N 295.382 3.971 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2ccccc2F)cc1 98064085 YRNVXVYYKLEANP-FLIBITNWSA-N 283.302 3.680 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C)c(F)c2)c1 103028266 SHHMHLCZRLZAOU-UHFFFAOYSA-N 281.330 3.782 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](c1ccccc1)C1CCC1 104423924 RCPQDOAHPQSLJI-RHSMWYFYSA-N 287.403 3.625 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1 106239108 USTMMPDZIQRNHS-GHXNOFRVSA-N 252.313 3.851 30 20 CHED CC(C)(Cc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 118142171 DXVUYWVNONCBJO-HNNXBMFYSA-N 278.355 3.527 30 20 CHED C#CCCCCC(=O)NCc1cccc(OCCCC)c1 119618143 SNJSMPOZILWZNW-UHFFFAOYSA-N 287.403 3.675 30 20 CHED CN(CCC(C)(C)C#N)C1CCN(Cc2ccccc2)CC1 119656047 CTYLEPUTKJZWQO-UHFFFAOYSA-N 299.462 3.523 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cscc1C 121525194 RWORSUPXBJCAFP-UHFFFAOYSA-N 264.394 3.649 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)o1 127110749 NRZNAWGAPHPCPO-SNVBAGLBSA-N 279.752 3.784 30 20 CHED COc1cc(C#N)ccc1NC(=O)C1CCCCCCC1 130216194 ARHKRBLGDHVMSH-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C[C@@H]1CC[C@@H](Nc2cc(C#N)c3ccccc3n2)C1 132733399 UFCLIIVYUMULOW-DGCLKSJQSA-N 251.333 3.707 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(C(=O)c2ccccc2)CC1 134900950 YLJFQVPNJYSSBI-LJQANCHMSA-N 299.414 3.710 30 20 CHED CC1(C)CCC(CC(=O)[C@H](C#N)c2ccccn2)CC1 152258905 FQTIVPUQSRRUPR-CQSZACIVSA-N 270.376 3.864 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@](C)(O)C1 152441991 SOOPAOOCLZREJF-INIZCTEOSA-N 269.429 3.501 30 20 CHED N#CCCCN1C[C@H]2CCCC[C@]21c1ccccc1 152523243 YWTKHGHJKIWSFK-SJORKVTESA-N 254.377 3.691 30 20 CHED CCn1nccc1/C=C1\C(=O)c2ccsc2S[C@H]1C 152663125 QDNRYNBBWMIMAN-RILYUOAZSA-N 290.413 3.725 30 20 CHED Cc1cc(F)cc(NC(=O)N(C)Cc2cccc(C#N)c2)c1 152725755 DKLJFVIAJGQJSW-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C=CCN(C(=O)c1ccn(C2CCCC2)n1)c1ccccc1 154014248 BLYQSHZBYKXHCO-UHFFFAOYSA-N 295.386 3.831 30 20 CHED C#CCCCCNC(=O)c1cc2c(ccc3ccccc32)[nH]1 156348642 CJSGEWLLVGXXQQ-UHFFFAOYSA-N 290.366 3.854 30 20 CHED C=CCC[C@H](CCC)NC[C@](C)(O)c1cccs1 157031707 ZLQCGKQAXLJSDK-ZFWWWQNUSA-N 267.438 3.680 30 20 CHED CC1(C)CCC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 158119798 LEMXTJYBDFQRTE-CYBMUJFWSA-N 276.767 3.520 30 20 CHED CCCCCCCCNc1ncc(C(=O)O)s1 160689399 VHEJHUABZPAQQF-UHFFFAOYSA-N 256.371 3.614 30 20 CHED C=CC1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)CC1 171819799 YEPGSYZJNXXQOX-UHFFFAOYSA-N 299.324 3.787 30 20 CHED N#Cc1ccccc1CN1CCSC[C@@H]1c1ccccc1 172010678 KRBGSBOLFRVXGY-GOSISDBHSA-N 294.423 3.848 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@H](C)C1 172801533 SRAZBKVJNCHHFF-JSGCOSHPSA-N 286.375 3.722 30 20 CHED C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)c1cccc(F)c1 173010649 UBGWZTUWVXMJDB-CYBMUJFWSA-N 290.382 3.718 30 20 CHED C=CC1CCN(C(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC1 173301115 GHOAENWIABVQQX-UYAOXDASSA-N 295.426 3.705 30 20 CHED N#Cc1csc(CN[C@@H](Cc2ccccc2)C2CC2)c1 177704122 AUQKJROTQSENKK-KRWDZBQOSA-N 282.412 3.731 30 20 CHED C#CCCSc1nnc(C[C@@H](C)c2ccccc2)o1 178162632 OEOQZPIXZHIMLG-GFCCVEGCSA-N 272.373 3.531 30 20 CHED C=CCCC[C@H](C)NC(=O)c1oc2c(c1C)C(=O)CCC2 179781302 CMYBSNNONLEXFG-NSHDSACASA-N 289.375 3.582 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccc2c(c1)CCO2 181122521 CQDKAJYELBHDGR-CYBMUJFWSA-N 294.354 3.524 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccc(C)cc1 181376717 XAPPZWKVNNOIMW-OAHLLOKOSA-N 274.408 3.881 30 20 CHED C=CCn1c(C)nnc1SCc1ccc(F)cc1C 181879450 AFCKCBIWKHFEHV-UHFFFAOYSA-N 277.368 3.512 30 20 CHED C=CCCC[C@H](C)NC(=O)c1sccc1SC 182632199 KMKWETXNUBMXTC-JTQLQIEISA-N 269.435 3.945 30 20 CHED CCc1ccc(CSc2nnc(C)c(C)c2C#N)cc1 182720835 GJVDBTRQMXDHIM-UHFFFAOYSA-N 283.400 3.820 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)NC[C@@H](C)C#N)CCC2 182741657 CAXUEIZAHLKWDI-SUMWQHHRSA-N 299.418 3.646 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc2oc(C)c(C)c2c1 185388623 GLKXHLWNGXNCQX-CYBMUJFWSA-N 287.359 3.969 30 20 CHED CC#CCCCC(=O)Nc1cc(C(C)=O)ccc1Cl 186038859 JMIRWOKKJYSWGM-UHFFFAOYSA-N 277.751 3.675 30 20 CHED CCC1(CC)CCN(C(=O)NCc2ccc(C#N)cc2)CC1 186602837 IZNANZFRHJRANY-UHFFFAOYSA-N 299.418 3.670 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C1=CCCCCC1 186943752 VVBLOXLWOVGRMI-CYBMUJFWSA-N 284.359 3.806 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc2cc(C)c(C)cc2o1 187916666 LPYATLCMAPIJNN-ZDUSSCGKSA-N 271.316 3.899 30 20 CHED CCC1(CC)CCN(C(=O)c2cccc(F)c2C#N)CC1 188283316 IJXFVLPQVHEFRA-UHFFFAOYSA-N 288.366 3.740 30 20 CHED CCc1cccc(CSc2nnc(C)c(C)c2C#N)c1 188923981 SGDNYLVHBBZCKT-UHFFFAOYSA-N 283.400 3.820 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(C(F)(F)F)ccn1 192420427 HCBHODLTYGUNSA-UHFFFAOYSA-N 287.285 3.530 30 20 CHED N#C[C@H]1CCC[C@H](NC2(c3ccccc3)CCC2)C1 193088491 USALYLDUBPUTKC-HOCLYGCPSA-N 254.377 3.738 30 20 CHED CCc1cccc(N/C(N)=N/[C@@H]2C[C@H]2c2ccc(F)cc2)c1 193301983 KFKMYBLYVOIWCA-DLBZAZTESA-N 297.377 3.671 30 20 CHED N#CCN(C(=O)CCCc1cccs1)c1ccccc1 194667844 BVUDZBDWUBMXLP-UHFFFAOYSA-N 284.384 3.628 30 20 CHED N#Cc1ccc(NCc2ccc(F)c(C#N)c2)c(Cl)c1 225236031 WAWXKNIYTMBGJE-UHFFFAOYSA-N 285.709 3.835 30 20 CHED Cc1cnc([C@@H](C)Nc2ccc(F)cc2C#N)s1 226806930 PQPUWEWNQYPRCS-SECBINFHSA-N 261.325 3.635 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)cc(Br)c1 232069967 CENMLLVFTFXVHQ-ZDUSSCGKSA-N 295.180 3.636 30 20 CHED N#Cc1ccnc(SCc2ccccc2)c1Cl 236060688 XZERDKQBHGVSSR-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CCOc1ccc(N=Cc2cccc(OCC)c2O)cc1 254347141 FUSQBEVWMYGKKT-UHFFFAOYSA-N 285.343 3.940 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2cc(F)cc(F)c2)cn1 255014071 HORPNXMGXVVWBG-ARJAWSKDSA-N 276.286 3.638 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1)c1cncc(F)c1 255052874 VZNZGYPEUCVPBA-RQOWECAXSA-N 279.673 3.909 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)o1 255333108 UJJPIBUVWFRNQP-CLFYSBASSA-N 251.285 3.610 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 266506926 LMYOBFGJAJBKBJ-BXUZGUMPSA-N 278.783 3.761 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)s1 267235451 WMPNLGOLFNJCFC-MRXNPFEDSA-N 268.385 3.705 30 20 CHED C/C=C(\C=C\C(=O)NC1(c2cccc(C#N)c2)CC1)CC 269608089 KTTCMNXNLIJTMA-MWWXXHHYSA-N 280.371 3.576 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccnnc1C 269972545 MBSWEFUUZHHYCV-UHFFFAOYSA-N 277.412 3.608 30 20 CHED N#CCN(Cc1ccc(Cl)c(Br)c1)C1CC1 271698848 CFIGZSAZMRLUAU-UHFFFAOYSA-N 299.599 3.590 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)NCc1cccc(C#N)c1 272091285 SWQQSGFKDJIYQT-ACJLOTCBSA-N 298.361 3.563 30 20 CHED CC1(C)CCc2ccc(OC[C@@H](C#N)CCC#N)cc2O1 272749608 KYPWDCJQQIJZPS-CYBMUJFWSA-N 284.359 3.613 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1cc(C)cc(C)n1 274167577 JOIPEQQWBTWJRG-UHFFFAOYSA-N 299.374 3.554 30 20 CHED C=C(C)[C@H](NC(=O)/C(C)=C/C)c1ccc(F)c(F)c1 274661613 VTEIWAYPWMRKQG-SEIPJRMCSA-N 265.303 3.664 30 20 CHED C=CCC[C@H](NCCC1CCN(C)CC1)c1ccco1 276452608 MGVWHPZKQOQSGQ-INIZCTEOSA-N 276.424 3.608 30 20 CHED COc1cccc2c1CCN(CCCCC(C)(C)C#N)C2 278856618 RTODOZFUSSKZLE-UHFFFAOYSA-N 286.419 3.773 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1ccnn1C(C)C)C2=O 280094403 TVFOOHGITTVODE-SDNWHVSQSA-N 296.370 3.821 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCC=C(C)C 280968925 ZYSIYDOXNPXNJR-JYJNAYRXSA-N 251.414 3.692 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)[C@H]1c1ccccc1 281438573 RZEWLOPXDSMDRD-BPUTZDHNSA-N 272.392 3.744 30 20 CHED C#CCCOc1ccc(CNC[C@H]2CCC(F)(F)C2)cc1 281726658 QUYSCNUQFSPZNW-HNNXBMFYSA-N 293.357 3.614 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 284985893 MJKJUUCZGHNSNV-QMTHXVAHSA-N 298.308 3.822 30 20 CHED CC1(C)CN(C[C@@H](C#N)CCC#N)[C@H]1c1cccs1 286936726 LOXSZFDQEAGETO-OCCSQVGLSA-N 273.405 3.575 30 20 CHED C=CCC[C@@H](NCCc1cccc(C)n1)c1ccco1 287690478 WQZGLVKXWBTSMN-MRXNPFEDSA-N 270.376 3.823 30 20 CHED C=CCCCC(=O)N(C)[C@H](CC)c1cccc(OC)c1 288224023 FBNVMMGPPXJYCR-MRXNPFEDSA-N 275.392 3.961 30 20 CHED Cc1ccnn1-c1ccccc1NCCC(C)(C)C#N 288778659 WBCJEGJFIWZBBF-UHFFFAOYSA-N 268.364 3.533 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(COCC)cc2)no1 288870286 FULXSBAHBBMOCB-UHFFFAOYSA-N 284.359 3.574 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncsc1C(C)C 289156648 NMFOIIOBPDEBNW-UHFFFAOYSA-N 264.394 3.973 30 20 CHED N#Cc1ccc(SCOC2CCC2)c(Cl)c1 289645738 NHWMOGNTMSMCSR-UHFFFAOYSA-N 253.754 3.830 30 20 CHED N#CCCCCNC(=O)Nc1cccc(C2CCC2)c1 292108174 SOBXBQDNSCVGIG-UHFFFAOYSA-N 271.364 3.769 30 20 CHED C=CC(C)(C)c1nc(-c2ccccc2OCC)no1 296152462 WUKBNSIHOOYWIX-UHFFFAOYSA-N 258.321 3.599 30 20 CHED C=C(C)[C@@H](N[C@@H]1CCn2ccnc21)c1ccc(F)c(F)c1 296487987 PNCCAPFWJPDCRI-HUUCEWRRSA-N 289.329 3.513 30 20 CHED CCCN(CCc1cccs1)[C@H](C)CCC#N 299209119 GOLWJLZGEFQDAD-CYBMUJFWSA-N 250.411 3.695 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1ncc(-c2ccccc2)o1 301334591 CIOUKVYZPFDCLE-GFCCVEGCSA-N 290.326 3.781 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 301674634 BMUFWMVLHXBOSM-JCKWVBRZSA-N 278.330 3.695 30 20 CHED Cc1ccc(CCNc2ccc([N+](=O)[O-])c(C#N)c2)c(C)c1 302184971 SZNKFBMGQVZMHP-UHFFFAOYSA-N 295.342 3.738 30 20 CHED CCc1ccsc1C(=O)Nc1ccc(C#N)c(F)c1 308100975 GEMNEJONZVLBNI-UHFFFAOYSA-N 274.320 3.574 30 20 CHED Cc1cc(N[C@@H](C)CCc2ccccc2)cc(C#N)n1 308280716 RUKAVRVKVNTHAS-ZDUSSCGKSA-N 265.360 3.695 30 20 CHED Cc1cc(F)c(F)cc1OCc1cccc(C#N)c1 311411081 YXULEJTYIDCDIX-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC1(C)CC[C@@H]1Nc1c(C#N)cnc2ccccc12 312020287 VZTXPNAQBNEGEQ-AWEZNQCLSA-N 251.333 3.707 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1cc(Cl)sc1Cl 312795789 DBRVOLQYYDRMAN-NSHDSACASA-N 291.203 3.611 30 20 CHED N#CCOc1cccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 315644052 ZKLDOSKADVBDNO-LZBKUMLDSA-N 296.414 3.503 30 20 CHED Cc1ncc(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1 328775093 KMTKOMBOCXGOJQ-BFHYXJOUSA-N 273.380 3.980 30 20 CHED CC1=C(C(O)=Nc2cccc3c2OCCC3=O)CCC1 329315771 CUJTYOFGVPGWMB-UHFFFAOYSA-N 271.316 3.740 30 20 CHED C[C@@H]1OCCC[C@@H]1/C(O)=N/CCc1ccc2ccccc2n1 330054179 ROVHHWAKFFYPOO-BBRMVZONSA-N 298.386 3.549 30 20 CHED Cc1nc2ccc(N=C(O)[C@@H]3CCCOCC3)cc2o1 330149202 VBESSKLJHQJKHP-LLVKDONJSA-N 274.320 3.541 30 20 CHED O/C(=N/[C@@H]1CCCCC12CCCC2)c1ccnc2[nH]cnc12 330293067 DMJREZXTQGGFRE-CYBMUJFWSA-N 298.390 3.766 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@@H]1CCO[C@@H](C)C1 330622702 OHZFJGSYKNCKEM-CMPLNLGQSA-N 296.436 3.522 30 20 CHED Cc1csc([C@@H](C)/N=C(/O)c2cc(C(C)(C)C)on2)n1 330891058 WVMUJRCYFMMLAP-SECBINFHSA-N 293.392 3.803 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)cc1 331083978 ZCTZHLTVGUXPPV-SAZUREKKSA-N 284.403 3.796 30 20 CHED CC(=O)c1ccc2c(c1)CN([C@H](C)c1cccc(C#N)c1)C2 335172152 BRHNRHIHKKXRKE-CYBMUJFWSA-N 290.366 3.838 30 20 CHED CC(=O)Nc1cccc(N[C@H]2CCc3ccc(C#N)cc32)c1 336003705 YRMPECDJKFCSEH-SFHVURJKSA-N 291.354 3.616 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccoc1 336084031 UAVAPIXBSZVIFS-QGZVFWFLSA-N 266.344 3.709 30 20 CHED C=CCC[C@@H](CCC)NCc1ccccc1Cn1cncn1 337823560 UCLXPCULXFYVFV-GOSISDBHSA-N 298.434 3.551 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC[C@H](C)CC1 337986258 PABLZMPJVOAUQR-SWLSCSKDSA-N 270.376 3.565 30 20 CHED CC(C)N(C)c1ccccc1NC(=O)c1cccc(C#N)c1 339202093 URYHXBMUPMMMBZ-UHFFFAOYSA-N 293.370 3.655 30 20 CHED Cc1noc(C)c1CCSCCC(C)(C)C#N 342021760 OTBNSRRGAAAFTJ-UHFFFAOYSA-N 252.383 3.507 30 20 CHED C=CC[C@H](CC)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 343507990 PBXWNAOKWDUJCV-BBRMVZONSA-N 274.364 3.917 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)Cc1ccc(F)cc1F 344365146 MDVGUSFNPRJWGD-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)CCC#N 346023501 VXOKNKQJGVEEPQ-DLBZAZTESA-N 298.430 3.799 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc2[nH]c(C)cc2c1 346166549 RRXZLMZECJCOKQ-OAHLLOKOSA-N 285.391 3.630 30 20 CHED Cc1oc(C#N)cc1-c1nc(C2CCC(C)CC2)no1 346244780 CKMZPQALKQBOHH-UHFFFAOYSA-N 271.320 3.803 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1csc2ccccc12 349887253 CTDDQVRYCGAKKP-MRXNPFEDSA-N 286.400 3.800 30 20 CHED CCC[C@@H](C)N(C)Cc1cccc(OCCCC#N)c1 350313624 ADVGODJTUDRWBT-OAHLLOKOSA-N 274.408 3.990 30 20 CHED COc1cc(C)c(CNc2cccc(C#N)c2C)cc1OC 354798356 UIXZNUQQANCHRY-UHFFFAOYSA-N 296.370 3.804 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 355285650 WKQOCKMRITZFOS-CABCVRRESA-N 273.351 3.544 30 20 CHED CC[C@@H](C#N)SCCCCS[C@@H](C#N)CC 355945115 SCYYDPXFXXIPOO-TXEJJXNPSA-N 256.440 3.837 30 20 CHED N#CCCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 358077305 OLJXMMHBQGXALI-UHFFFAOYSA-N 281.186 3.996 30 20 CHED C=C(CC)CSCC(=O)Nc1c(F)cccc1F 358639170 ZGRZTBNVFAGKIH-UHFFFAOYSA-N 271.332 3.603 30 20 CHED Cc1nn(CCc2cc(Cl)cc(Cl)c2)cc1C#N 359368954 MONIGYLYHOLYTM-UHFFFAOYSA-N 280.158 3.613 30 20 CHED C=CCN(Cc1cc(-c2ccncc2)ccc1OC)C1CC1 361170456 YOVWLRVSSZNYIJ-UHFFFAOYSA-N 294.398 3.908 30 20 CHED CC1=C(C)CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 361358008 UVNLPLDZGDOQQM-QGZVFWFLSA-N 282.387 3.643 30 20 CHED Cc1cc(Cl)cc2c1N(C(=O)CC(C)(C)C#N)CCC2 362405027 VQJPKDZSUUPQBZ-UHFFFAOYSA-N 290.794 3.868 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC=C(F)C1 362648512 JLGJBWXRCCFNDL-UHFFFAOYSA-N 270.229 3.641 30 20 CHED C=C(Br)CSc1cccc(OC)c1 379393378 UNZGYSLHDRVSAE-UHFFFAOYSA-N 259.168 3.696 30 20 CHED CCC[C@@H](C)N(C)Cc1ccc(Br)cc1C#N 383327844 FRCUPQFAZAMXQF-LLVKDONJSA-N 295.224 3.941 30 20 CHED CC[C@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 388848816 ZXDKCBWPZARZNH-GXSJLCMTSA-N 283.297 3.963 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@H](C#N)C2CCCCC2)CC1 393304248 CPWYLIIDZBPXJL-FVQBIDKESA-N 276.424 3.791 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H]2CCCCN2c2ccccc21 411015045 PZSRPVNEJRKWQW-OAHLLOKOSA-N 298.430 3.994 30 20 CHED CCN1CC[C@@H](N(C)CCC2(C#N)CCCCC2)C[C@H]1C 411307160 MOEFDDUDVQRTGE-IAGOWNOFSA-N 291.483 3.655 30 20 CHED C[C@@H](SCCC#N)c1nccn1-c1ccccc1 413013664 HMEDUSAMDRPFNW-GFCCVEGCSA-N 257.362 3.580 30 20 CHED N#Cc1cnc(NC[C@H]2CCCCC(F)(F)C2)c(F)c1 413306063 UIVAZHIJAHVBJY-JTQLQIEISA-N 283.297 3.720 30 20 CHED CO[C@](C)(C1CC1)[C@H](C)Nc1ncc(Cl)c(C)c1C#N 413525305 YHDZKXOKHLVARK-BONVTDFDSA-N 293.798 3.531 30 20 CHED Cc1cc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c(C#N)cc1N(C)C 415698633 ZSJVRSTZGFJUEK-KSSFIOAISA-N 299.418 3.553 30 20 CHED C[C@@H](CCc1ccc(F)cc1F)NCC1(C#N)CCC1 418143093 OSJHBJRDXVRJKU-LBPRGKRZSA-N 278.346 3.569 30 20 CHED N#CC1(COc2ccc(-c3ccccc3)nc2)CCC1 418935142 GKODBTZWDMPZEM-UHFFFAOYSA-N 264.328 3.821 30 20 CHED CCC[C@@H](Nc1cncc(C#N)n1)c1ccc(F)cc1F 420604131 RIPLMKBECZNULD-CQSZACIVSA-N 288.301 3.580 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC(F)F)c1ccccc1 422256804 IJHYOAGNFDFQRZ-CYBMUJFWSA-N 282.334 3.600 30 20 CHED CC[C@H](CC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(C)cc1 424978940 QNLBBSKKMCJEQW-ZMSDIMECSA-N 284.403 3.687 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]1c1cccs1 425200173 JVCYHFNCYWGMTR-GFCCVEGCSA-N 299.355 3.869 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCCC[C@@H]1C 425560691 MAGVMDIJTQOYLI-UONOGXRCSA-N 264.413 3.744 30 20 CHED C=CCC[C@@H](CCC)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2 425941431 ZLGXLEAYVCWZRP-MWDXBVQZSA-N 265.441 3.652 30 20 CHED C=CCCC[C@@H](C)N[C@H]1CCc2c(cccc2OC)C1 426064806 WGACFMQROSFFOR-ZBFHGGJFSA-N 273.420 3.887 30 20 CHED C=CC[C@H](NCc1ccc(-c2ccc(CC)cc2)o1)C(=O)O 426813844 ZZERRJPVYMOTPJ-INIZCTEOSA-N 299.370 3.628 30 20 CHED Cc1ccc(C[C@H](NCC2(CC#N)CC2)C(C)C)cc1 430743706 PJXGUZJHDINWMX-KRWDZBQOSA-N 270.420 3.846 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCCC1(C)C 432271458 PDWQESWLPOSVJI-OAHLLOKOSA-N 285.391 3.957 30 20 CHED Cc1nc(C)c(C#N)c(SCCCc2ccccc2C)n1 440214463 LHDUZKAQNCKFKO-UHFFFAOYSA-N 297.427 3.998 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C)C(C)(C)C1 442901931 PIWGPTIQWXZCSU-KGLIPLIRSA-N 256.393 3.987 30 20 CHED CC(C)=CCNC(=O)c1cn(CCCC#N)c2ccccc12 444291997 MZFCDJSRHFJXCZ-UHFFFAOYSA-N 295.386 3.641 30 20 CHED CC1(C)CCCN(C[C@H]2CCC3(CCCCC3)O2)[C@H]1C#N 444728806 RLOWCGGXJUHCEO-CVEARBPZSA-N 290.451 3.882 30 20 CHED CC(C)c1nc(CCNC2CCC(C)(C#N)CC2)cs1 449111113 JAYXPRHGWSEKMX-UHFFFAOYSA-N 291.464 3.871 30 20 CHED C=CCC1(C(=O)NC[C@@]2(C)CCCC[C@@H]2O)CCCCC1 450088968 QQXKQEVPEXZLJP-DOTOQJQBSA-N 293.451 3.570 30 20 CHED C=CC(C)(C)C(=O)NCC1(c2ccccc2Cl)CC1 450309818 VKCHWCGWOLHYKZ-UHFFFAOYSA-N 277.795 3.700 30 20 CHED C=CCCN(C)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 451059232 IEOPZVPRJGHTGN-CVEARBPZSA-N 257.377 3.605 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)CCc1ccc(C#N)cc1 452514420 SCBSOFQLUSBGOQ-IBGZPJMESA-N 298.430 3.918 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 454555783 UCPLFIAJKYZZGS-GXFFZTMASA-N 296.773 3.600 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCC1(C)C 455083290 FNJYKQAKWCMRAC-MRXNPFEDSA-N 299.418 3.526 30 20 CHED CC1(NC(=O)Nc2cccc(CC#N)c2)CCCCC1 455926764 YVIBMNLREFFBLS-UHFFFAOYSA-N 271.364 3.597 30 20 CHED CCc1ccc(NC(=O)NCC(C)(C)CC#N)cc1C 459454155 BSKHHUSSNWGVQT-UHFFFAOYSA-N 273.380 3.619 30 20 CHED C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H]1C 460957449 MEPJLSWBTXKJQW-AWEZNQCLSA-N 288.439 3.576 30 20 CHED C=CC[C@H](CO)CNCc1ccc(C2CCCC2)cc1 462777229 LMDIONYLJXWFKE-INIZCTEOSA-N 273.420 3.618 30 20 CHED CC#CCCCC(=O)Nc1cccc2c1CCCC2 464569915 KHJGAPLIZJELKS-UHFFFAOYSA-N 255.361 3.698 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)CCCC1CCCCC1 464705428 HXXBISBZKOPZQT-AWEZNQCLSA-N 264.413 3.791 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cc(F)cc(F)c1OC 466648975 QLUXHUSTAZJOMZ-VIFPVBQESA-N 269.291 3.514 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2c(F)cc(F)cc21 468105090 UPGWYWIZBHTNLU-INIZCTEOSA-N 279.330 3.846 30 20 CHED C=CCOc1cccc(NC(=O)C[C@H](OCC)C(C)C)c1 471340974 KPQYUJLRGPDLCC-INIZCTEOSA-N 291.391 3.641 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@H](c1ccccc1)N(C)C 471600051 ZAZCZJDFILCRDH-YQQAZPJKSA-N 260.425 3.622 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H](c3ccc(F)cc3)C2)n1 480778046 HABXVDOGQDYNJW-HNNXBMFYSA-N 295.361 3.703 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(Cl)ccc1OCC1CC1 482671160 NQBUVRAXWQIOJY-LBPRGKRZSA-N 292.810 3.720 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)NCC(C)(C)C#N 483424009 ZOIGQSJYRWUOTB-UHFFFAOYSA-N 287.407 3.791 30 20 CHED Cc1cc(F)ccc1C1CCN(c2cccnc2C#N)CC1 488436996 CTWMMGJAMPJNJT-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C=CCN(C)C(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 488894405 CBRJBKHTRSBSTG-UONOGXRCSA-N 257.377 3.620 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1cccc(F)c1C#N 490205754 VGGJWLUSTWQGKQ-CYBMUJFWSA-N 296.345 3.805 30 20 CHED C=CCN(CCc1ccco1)C(=O)CC(CC)CC 490293509 ZQXCYEYLIRNVDM-UHFFFAOYSA-N 263.381 3.663 30 20 CHED C#C[C@H](C)N(C)C(=S)Nc1c(C)cc(C)cc1Cl 491796320 ZMLNOPDUOHMUOH-NSHDSACASA-N 280.824 3.607 30 20 CHED Cc1csc(NC(=O)/C=C/c2ccsc2)c1C#N 493268351 ZRDQLOZMMLXVFY-NSCUHMNNSA-N 274.370 3.642 30 20 CHED C=CCN(C)[C@H](C)c1ccc(OC(F)(F)F)cc1 494633466 BEMPJVKFGACPHR-SNVBAGLBSA-N 259.271 3.764 30 20 CHED C=C(C)CN(C)C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 497831185 HOCYWUGEWIRLDH-NWDGAFQWSA-N 292.345 3.573 30 20 CHED CCN(Cc1ccccc1C)Cc1ccc(C#N)cc1OC 501270591 UPVREKWEIAIIBP-UHFFFAOYSA-N 294.398 3.897 30 20 CHED CC[C@H](CNCc1ccc(C#N)cc1F)c1ccccc1 503000309 YZEFQHYBBPUUBO-OAHLLOKOSA-N 282.362 3.981 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 505354236 VJBRJMBVBPFFTI-FOTOHKNYSA-N 299.414 3.672 30 20 CHED C=CCCN(C)C(=O)c1sc2cc(F)ccc2c1C 507896735 FNNWAFGHDFIREK-UHFFFAOYSA-N 277.364 3.997 30 20 CHED C=CCn1c(CCCC)nnc1N1CC[C@H](C(C)(C)C)C1 508861609 BBPTZPQUGHEEDX-AWEZNQCLSA-N 290.455 3.679 30 20 CHED N#Cc1ccc(SC[C@H]2CCCC(F)(F)C2)nc1 509095505 FBFZUARMJTWBHA-JTQLQIEISA-N 268.332 3.871 30 20 CHED C[C@H]1C[C@H](CCNC(=O)CC(C)(C)C#N)CC(C)(C)C1 509111674 NQMQADSUUVQOQN-KBPBESRZSA-N 278.440 3.895 30 20 CHED C=C(C)CCN(Cc1ccccc1)C[C@H]1CCCO1 509328073 OPIWNFVLAVZICR-QGZVFWFLSA-N 259.393 3.634 30 20 CHED CC1(CC(=O)NCC#Cc2ccccc2)CCCCC1 509693465 PFCIDVYGPOADJZ-UHFFFAOYSA-N 269.388 3.515 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 510593725 ASDQNOONXJDLAW-CABCVRRESA-N 264.413 3.585 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@@H](O)C1CCCCC1 511380284 RIALKFZQFDHTFC-OAHLLOKOSA-N 278.783 3.565 30 20 CHED CN(C)C1(CNc2cccc(Cl)c2C#N)CCCCC1 514517961 AYWJJWIZQCAVKR-UHFFFAOYSA-N 291.826 3.888 30 20 CHED C=CCCC(=O)N1CCCc2ccc(Cl)c(C)c21 522883324 ZFIQHUWITPEQDA-UHFFFAOYSA-N 263.768 3.894 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(N(CC)c2ccccc2)no1 528219130 AZDXXTJSAGSQCY-HUUCEWRRSA-N 299.374 3.676 30 20 CHED CC(C)(C)CN(CCC#N)c1nc(C(F)(F)F)cs1 533928130 NWYGTNLAAQETLW-UHFFFAOYSA-N 291.342 3.928 30 20 CHED C=CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1 537861726 JIWNCVCELFVTCL-UHFFFAOYSA-N 284.281 3.888 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)CCOc1ccccc1 539435321 WPNSYPVCRPZMLT-HOTGVXAUSA-N 289.419 3.953 30 20 CHED CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 539610442 WPIPTJOODROVKC-HWWQOWPSSA-N 260.356 3.927 30 20 CHED CC(C)C[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 539821436 IPHRCJAIUFJMDW-ZDUSSCGKSA-N 262.422 3.878 30 20 CHED C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)[C@H]2CCCC[C@H]12 542975777 RFPKXEIJHXSYBC-VMGRFDJRSA-N 272.367 3.708 30 20 CHED Cc1nsc(NCc2cc3ccccc3o2)c1C#N 550742900 GDGKRCHMLZASSF-UHFFFAOYSA-N 269.329 3.682 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)ncn1 556258265 CYGLCESDKDPXQS-TZMCWYRMSA-N 298.777 3.750 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCCC2(CCCCC2)CC1 557011833 OEDIEDBGQBTOIC-MRXNPFEDSA-N 276.424 3.889 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 559349435 DEZOMJVIGUSMAN-LAQRGFTBSA-N 294.442 3.966 30 20 CHED N#Cc1cc(N2CCC[C@H]2c2cccc(Cl)c2)ccn1 561133544 BMGPTEFGFBVNJS-INIZCTEOSA-N 283.762 3.948 30 20 CHED Cc1ccnc(N2C[C@@H](C)C[C@H]2c2ccccc2)c1C#N 561446911 HIUAQVMBIJWJCB-GUYCJALGSA-N 277.371 3.849 30 20 CHED CC(C)CC[C@@H](NC[C@@H](C#N)CCC#N)C(C)(C)C 562994812 ZTBRYSXXWFEVCW-HUUCEWRRSA-N 263.429 3.870 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC(C)(C)[C@H]1c1ccncc1 567237801 SGXPMRZTRYIIME-RHSMWYFYSA-N 272.392 3.593 30 20 CHED C=C(C)CCNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 567960646 UKFXADFRYCWKLW-HOTGVXAUSA-N 288.435 3.674 30 20 CHED C=C(C)COc1cccc(NC(=O)NC2(CF)CCC2)c1 568628179 NLLMUTGCYYAOBP-UHFFFAOYSA-N 292.354 3.655 30 20 CHED Cc1cc(C(F)(F)F)ccc1C(=O)N(CCC#N)C(C)C 570245085 QJAHRYSBSHRRPS-UHFFFAOYSA-N 298.308 3.778 30 20 CHED C=CCOc1ccc(CNC(=O)N[C@@H](CC)CCC)cc1 572390090 WVGHQFVELSCNAK-HNNXBMFYSA-N 290.407 3.629 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1NCc1ccco1 576835858 BLYPJPUTGLWNTN-CQSZACIVSA-N 298.386 3.976 30 20 CHED N#Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(C(F)(F)F)c1 577924389 UFQVZOULODAFTG-STQMWFEESA-N 294.320 3.809 30 20 CHED C=C[C@@H]1OCC[C@H]1NC(=O)c1coc2ccc(C(C)C)cc12 579920144 CGYZMILTOMLXLY-CVEARBPZSA-N 299.370 3.630 30 20 CHED CCC[C@@H](C#N)NC(=O)CCCc1ccc(SC)cc1 580078057 PKJUYAWYXJBSRZ-AWEZNQCLSA-N 290.432 3.540 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)[C@]1(C#N)CC12CCCC2 584094499 ANZBYQQSKCNHKB-KBXCAEBGSA-N 288.435 3.936 30 20 CHED C=CCn1cccc1-c1nc(-c2cccc(C)c2)no1 584554734 WHCOIPFVXOGJII-UHFFFAOYSA-N 265.316 3.700 30 20 CHED C=C[C@@](C)(CC)c1nc([C@H]2CCOc3ccccc32)no1 584686111 FYNDQNVAXNVJOG-GUYCJALGSA-N 284.359 3.838 30 20 CHED N#Cc1ccsc1NC(=O)Cc1coc2ccccc12 584799971 IXYJRIPGBBZORV-UHFFFAOYSA-N 282.324 3.547 30 20 CHED CCC1(CC)CN(c2nccc(C#N)c2Cl)CCS1 588018614 YXQWHUVEAVBLAY-UHFFFAOYSA-N 295.839 3.719 30 20 CHED C[C@H](CNC(=O)CCCCCC#N)Sc1ccccc1 588159950 QYASMCZETQVLIV-CQSZACIVSA-N 290.432 3.757 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2csc(Cl)c2)cc1 588558932 NBWMHINRRWAJPF-UTCJRWHESA-N 292.743 3.996 30 20 CHED N#CCCCCCC(=O)Nc1nc2ccccc2n1C1CC1 588655763 FNEUVKWHSBPHTM-UHFFFAOYSA-N 296.374 3.784 30 20 CHED CC(C)c1ncsc1C(=O)N[C@H](C)c1cccc(C#N)c1 590672860 COCMZUKXHPCXQV-LLVKDONJSA-N 299.399 3.629 30 20 CHED C[C@@H](NCc1cccc2c1CCC2)c1ccc(C#N)cc1 593584479 GTJBIHPKYIYSIC-CQSZACIVSA-N 276.383 3.898 30 20 CHED Cc1ccc(CSc2nc3c(c(C)c2C#N)CCC3)cn1 594436793 JBZUUPVLFKHWJC-UHFFFAOYSA-N 295.411 3.746 30 20 CHED CN(C(=O)NCCCC#N)C1CC(C)(C)CC(C)(C)C1 596553066 DSNSMRXDPVUOGZ-UHFFFAOYSA-N 279.428 3.536 30 20 CHED N#CC1(Cc2nc(C3CC(F)(F)C3)no2)CCCCC1 596601981 KBPLWUXADQTRAO-UHFFFAOYSA-N 281.306 3.599 30 20 CHED Cc1cccc2[nH]c(CN3CCC[C@@H](CC#N)C3)cc12 597177463 MRMVAOWXWWQGLZ-AWEZNQCLSA-N 267.376 3.602 30 20 CHED N#CC1(CC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCCCC1 597300572 HEQXNWXWDHHWMG-ARFHVFGLSA-N 288.435 3.936 30 20 CHED COc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1F 597541811 KTBLCAVSMRXGSF-UHFFFAOYSA-N 290.338 3.637 30 20 CHED Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@@H](C)C#N 597638545 SHKOCOFYSPNALQ-GJZGRUSLSA-N 272.392 3.700 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(SC)oc1C 598831024 BKZYPSAZKWJDRG-UHFFFAOYSA-N 294.420 3.854 30 20 CHED CC(C)c1cnc(SCc2cc(F)ccc2C#N)[nH]1 600587047 ZHIHIPUAAOUCSD-UHFFFAOYSA-N 275.352 3.836 30 20 CHED N#CCc1ccc(CSCc2noc(C3CCC3)n2)cc1 600650942 USEOYQRBGFCZMW-UHFFFAOYSA-N 299.399 3.837 30 20 CHED N#Cc1ccc(CN(C(=O)C2CCC=CCC2)C2CC2)cc1 602052334 JTIICTITEIGMBB-UHFFFAOYSA-N 294.398 3.796 30 20 CHED CCC(CC)CN(CCC#N)[C@H](C)c1cnc(C)nc1C 602464127 CBHGBNRWJYCSRD-CQSZACIVSA-N 288.439 3.806 30 20 CHED C[C@H](CCC#N)CNc1ccc(-n2cccn2)c(Cl)c1 602494553 HCMKATFTIXGNOR-GFCCVEGCSA-N 288.782 3.877 30 20 CHED C[C@H](CCC#N)CNCCOc1ccc2ccccc2c1 602509716 IUUCIFMGQYKZNJ-OAHLLOKOSA-N 282.387 3.748 30 20 CHED C[C@H](CCC#N)CNCCCCCc1ccccc1 602529400 FQNHAVOKYOTRTO-MRXNPFEDSA-N 258.409 3.929 30 20 CHED CC[C@@H](C#N)NC(=O)c1sc2cc(C)ccc2c1Cl 609169229 AAKNENOYFWUNMN-VIFPVBQESA-N 292.791 3.895 30 20 CHED Cc1ccn2cc(CNc3c(Cl)cccc3C#N)nc2c1 609495057 LDORKEZWLBVIGX-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C[C@H](C)C1 611062472 LMSLUGCTNHXJGP-KFWWJZLASA-N 299.418 3.697 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CC=CCC1 611394819 HOQHRNKBDUMIBV-DOTOQJQBSA-N 252.361 3.634 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 613037819 HKNBIFUMKUOLKR-UWVGGRQHSA-N 299.201 3.905 30 20 CHED CN(CCOC(C)(C)C)c1nc(C(C)(C)C)ccc1C#N 613429097 FZXCYUPYLZNXBY-UHFFFAOYSA-N 289.423 3.502 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 617778925 RCBRUNOHEDJKKO-QWHCGFSZSA-N 271.351 3.627 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccc(C#N)s2)c1 618614563 RTEJNRFEARKQHF-UHFFFAOYSA-N 274.364 3.699 30 20 CHED CCCCN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CC1 618845631 FQQGPDLTAHNHAF-QGZVFWFLSA-N 297.402 3.520 30 20 CHED Cc1nc(CN[C@H]2CCCCc3cc(C#N)ccc32)cs1 619508206 OTVXRUYEEYXZLZ-KRWDZBQOSA-N 297.427 3.881 30 20 CHED C=CCC1(C(=O)Nc2ccn3cc(C)nc3c2)CCCC1 620648041 RCMFVGOSLQNHKJ-UHFFFAOYSA-N 283.375 3.718 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ccc2nc(O)oc2c1 631737318 LVKMYTPQTXQRTL-QJPTWQEYSA-N 274.364 3.785 30 20 CHED C=CCOc1ccc(CN[C@@H]2CC=C(C)CC2)cc1 646192950 VKFLKPQNUWHAIE-MRXNPFEDSA-N 257.377 3.840 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@H](C)c1ccncc1 657901819 XQVKAENTSJOREA-USXIJHARSA-N 258.409 3.910 30 20 CHED C=C[C@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 658334730 AOSVAMWUBKOPHX-HTQZYQBOSA-N 294.609 3.844 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCc2ccc(C)s2)C1 660354713 JFWIJQBTBHZVKW-CYBMUJFWSA-N 278.421 3.554 30 20 CHED C=CCc1ccccc1OCc1oc(CC)nc1C 663935466 KFLGODWWMIPTAX-UHFFFAOYSA-N 257.333 3.853 30 20 CHED C=CCCNC(=O)Nc1cc(Br)c(C)cc1C 666798662 QKLBFTWJKLYEPM-UHFFFAOYSA-N 297.196 3.764 30 20 CHED CCC#C[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 678743053 SAUNZTAOEVYAPW-RYUDHWBXSA-N 267.319 3.741 30 20 CHED C=CCC[C@@H](C)N[C@H]1CCOc2ccc(OCC)cc21 681400302 YNOVKVJUDGNUSX-CJNGLKHVSA-N 275.392 3.853 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nn(-c2ccccc2)cc1C 682381237 UVCBDRYAJRUGPK-QGZVFWFLSA-N 283.375 3.722 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H](O)c1ccc(F)cc1 692250011 BXSRYGYIWIUXHQ-COXVUDFISA-N 277.383 3.584 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1cc(SC)ccc1Cl 700626998 XVWLIYFSJAVHMA-AWEZNQCLSA-N 281.808 3.594 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C\c1cccc(OC)c1O 727781067 CHHHBILDBXPWQG-UEIJICEPSA-N 283.371 3.841 30 20 CHED C=CCc1cc(OCC)cc(CN2CCC[C@H]2CC)c1O 727823686 AWORTPRXJPOOLD-MRXNPFEDSA-N 289.419 3.894 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1 728798396 IRUFJVSTFBEVCO-UHFFFAOYSA-N 278.355 3.613 30 20 CHED COc1cccc(/C=C2/Oc3c(Cl)cccc3C2=O)c1 729149129 BYNVKGXSXYMAIM-NTEUORMPSA-N 286.714 3.965 30 20 CHED Cc1cccc2c1C/C(=C1/COc3ccc(F)cc31)C2=O 729149893 GQAATGPOTGIQRH-FOCLMDBBSA-N 280.298 3.719 30 20 CHED CC[C@H](CC(=O)OCCOc1cccc(C#N)c1)C(C)C 729759076 BVLKDLDOGAGUMR-OAHLLOKOSA-N 289.375 3.553 30 20 CHED C[C@H](C#N)OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730615315 UIGMTOYLYJNKHM-ONOSFVFSSA-N 284.142 3.552 30 20 CHED O=C1/C(=C/c2cccnc2Cl)COc2ccc(F)cc21 731565263 JEPVDJJUCDIZIO-UXBLZVDNSA-N 289.693 3.533 30 20 CHED C=CC[C@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccncc1 734460682 RQINZDUBPRZPHF-SFHVURJKSA-N 294.398 3.675 30 20 CHED CC(=O)c1c(C)cc(C)c(COC(=O)C2(C#N)CCC2)c1C 736844765 WJGRCMDZONXUPA-UHFFFAOYSA-N 299.370 3.552 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](CC)c1ccc(F)cc1F 739266516 AZSGMRNTYBTCNC-ABAIWWIYSA-N 298.329 3.940 30 20 CHED C=C(Br)CSc1ccc(C#N)cc1F 741447011 JAWOLBINSOTWDG-UHFFFAOYSA-N 272.142 3.698 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 741995384 BEOUFFPIPRSASD-AITLOWHFSA-N 294.398 3.656 30 20 CHED CCN(C(=O)/C=C/c1ccsc1)c1ccc(C#N)cc1 742223136 PCEQLCCKZVTRHD-VMPITWQZSA-N 282.368 3.686 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(O)c(C)c2)c1 742435316 VQYSLQWTMPJMRU-SOFGYWHQSA-N 282.339 3.743 30 20 CHED CCCCCCCC(=O)N1CCOC[C@H]1c1ccccc1 742954414 AVNVRZOKLFNACA-KRWDZBQOSA-N 289.419 3.947 30 20 CHED Cc1cc(NN=C2CC(c3ccccc3C)C2)nc(C)n1 743437450 LRWLRZIDAXGUIT-UHFFFAOYSA-N 280.375 3.747 30 20 CHED CC(C)c1ccc(C(=O)[C@H](C)OC(=O)C2(C#N)CCC2)cc1 745063140 OSDCHSGQZDEOLU-ZDUSSCGKSA-N 299.370 3.618 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1coc2ccccc12 746558580 RSNSRYPTDBGYMZ-UHFFFAOYSA-N 281.271 3.787 30 20 CHED COc1ccc(-c2nc(C=NOCC(C)C)cs2)cc1 749632446 YINMJJVNRFJKHH-UHFFFAOYSA-N 290.388 3.825 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCCOc2ccccc21 749748313 ASTPKIFHEMEMFB-GYZOOYGHSA-N 267.328 3.725 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1cccs1 750923566 ZVPYGGMUFMOAMZ-UHFFFAOYSA-N 260.362 3.983 30 20 CHED CCC(C[C@H](C)CC)=NNc1nc(-c2ccncc2)no1 750948819 NMWPPMZQRLEKSM-LLVKDONJSA-N 287.367 3.746 30 20 CHED CCCCCCCCCNC(=S)NCC(F)(F)F 750990791 MTBMGNOIQKSCIQ-UHFFFAOYSA-N 284.391 3.763 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@H](C)c1ccc(F)cc1 751374377 NCLKOMUFXAQYJE-AWEZNQCLSA-N 290.382 3.718 30 20 CHED CC/C=C(\C)C(=O)OCc1ccc(C#N)cc1OC(F)F 752532308 IZSVZVPRDFAECA-ONNFQVAWSA-N 295.285 3.559 30 20 CHED C[C@@H]1CCC(=NNc2ccc(F)cn2)c2ccccc21 752730235 KQFCUZCPAVGKGK-LLVKDONJSA-N 269.323 3.934 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](C)c1ccc(SCC)cc1 753130031 JDCHRJKYXRAOSE-GXTWGEPZSA-N 290.432 3.571 30 20 CHED C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CC(C)(C)C1 753575767 MOOJBJVVAKABHA-INIZCTEOSA-N 299.462 3.904 30 20 CHED C#CCCN[C@H](Cc1ccccc1)c1sccc1C 754360591 GLXSRMSNLLMEBE-MRXNPFEDSA-N 269.413 3.953 30 20 CHED CC(C)(C)CC=NNc1ccc(Cl)c(C(=O)O)c1 755466989 KOWWYBAPSDGBCL-UHFFFAOYSA-N 268.744 3.872 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1ccoc1 755893673 YBYJQYJPEPLYFH-UHFFFAOYSA-N 269.226 3.530 30 20 CHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1cc(F)ccc1O 757467762 KKGJRLCDNXUICP-RJRFIUFISA-N 292.693 3.786 30 20 CHED O=C(/C=C\c1cccs1)c1cc(F)cc(F)c1O 757471876 GBVKVFUTIAQQPE-ARJAWSKDSA-N 266.268 3.628 30 20 CHED Cc1ccc(C(=O)OCc2ccc(F)c(C#N)c2)cc1F 758921427 FFYFPINDSZEMGV-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=C(Cl)CN1CCc2c(F)cc(F)cc2[C@H]1C 759019853 RLFKSENRRBEHOM-SECBINFHSA-N 257.711 3.636 30 20 CHED CCCCCCCCCCN1CC[C@H](C)[S@@](=O)CC1 759871774 WOYAOFQCYFUSOL-LPHOPBHVSA-N 287.513 3.970 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cnc(C)s1 761261027 JZDKCZUAQGTRPV-JTQLQIEISA-N 259.378 3.526 30 20 CHED FC(F)(F)CON=Cc1ccc(C(F)(F)F)s1 761828857 RGCJMUBABLUOBG-UHFFFAOYSA-N 277.189 3.680 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(F)c(F)c1 761885365 SINBBLMIRXFUOR-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C#CCN(CC)C(=O)C1(c2cccc(Cl)c2)CCCC1 764211498 SOVNRJMOBPYWEY-UHFFFAOYSA-N 289.806 3.634 30 20 CHED CCn1cc(/C=C\C(=O)c2cc3c(s2)CCCC3)cn1 764431792 FWLUYFIYOATFQT-FPLPWBNLSA-N 286.400 3.739 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1cncc(C)c1 767384187 DJRMJHVFNGYNFT-UHFFFAOYSA-N 273.767 3.557 30 20 CHED C#C[C@@H](CC)OC(=O)c1cncc(-c2ccc(Cl)cc2)c1 768040141 HKCVOBSTRMDKQO-INIZCTEOSA-N 299.757 3.971 30 20 CHED C/C(=C\c1ccccc1)CN(CCC#N)CC(C)C 768153298 CUAKIGLYYUJNEC-FOWTUZBSSA-N 256.393 3.962 30 20 CHED C=CCN(Cc1c(C)nn(C(C)(C)C)c1C)C(C)C 768550330 LGLHVTMBTXMWLW-UHFFFAOYSA-N 263.429 3.651 30 20 CHED C=CCN(C(=S)Nc1ccc(OC(F)F)cc1)C1CC1 771545525 WDUYENNWADTERO-UHFFFAOYSA-N 298.358 3.635 30 20 CHED C=C(Cl)CN[C@H]1CCCOc2c(Cl)cccc21 773006194 VRJIOBVVGUZJRO-LBPRGKRZSA-N 272.175 3.896 30 20 CHED CCOCCON=CC1CCC(C(C)(C)C)CC1 774421590 ICIRFDLLNDDILK-UHFFFAOYSA-N 255.402 3.878 30 20 CHED Cc1ccc(C)c(CC(=O)OCc2cccc(C#N)c2F)c1 774944802 SRHSVGAIDOSFEH-UHFFFAOYSA-N 297.329 3.600 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCCOc2cc(F)ccc21 776725790 OUMXWOVGTVQWPA-MXDDHBLUSA-N 285.318 3.864 30 20 CHED CCCCC[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccccc1 776966945 QPPWMPVAFPFDQB-QGZVFWFLSA-N 295.386 3.938 30 20 CHED CCC(=NNc1nc2ccccc2n1C)c1ccccc1F 778537602 CNOHRNXZIIIGCX-UHFFFAOYSA-N 296.349 3.939 30 20 CHED CCC(=NNc1cnc2ccccc2n1)c1ccccc1F 778539266 AHTRJOKDYUJTHR-UHFFFAOYSA-N 294.333 3.995 30 20 CHED COc1ccc(NN=Cc2ccc(C(F)(F)F)cc2)nc1 780270437 JFLUPMGYSZDECA-UHFFFAOYSA-N 295.264 3.555 30 20 CHED CC(CCc1ccccc1F)=NNc1ncncc1Cl 780278894 DTHKDQJBVXQEEU-UHFFFAOYSA-N 292.745 3.690 30 20 CHED CCCCCCCCCNCc1ncc(Cl)n1C 780578037 VVDGTACHKGGTRG-UHFFFAOYSA-N 271.836 3.914 30 20 CHED C=CCN(CC=C)[C@@H](CNC(=O)/C(C)=C(\C)CC)C(C)C 780939882 KNMHXMHCGXXCMX-IWLLYFRBSA-N 292.467 3.548 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccccc1SC(F)(F)F 781157327 AOWITRIVWLFKFG-QMMMGPOBSA-N 289.278 3.757 30 20 CHED Cc1nc(NC(=O)CC(C)(C)C#N)sc1-c1ccccc1 782492880 VXZSGQICBKYIIJ-UHFFFAOYSA-N 299.399 3.997 30 20 CHED COc1cccc(/C=N/C[C@@H](SC)C(C)(C)C)c1O 783682153 RQLPBQAMFQHKEZ-BPKVKKHESA-N 281.421 3.597 30 20 CHED N#CCc1ccc(Cn2nc(Cl)c3ccccc32)cc1 784052290 DKBRMXFOZOEDQI-UHFFFAOYSA-N 281.746 3.804 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccn(C(CC)CC)n1 785757433 JLDACULIQUZDDB-MRXNPFEDSA-N 278.396 3.890 30 20 CHED CC[C@H](OC1CCCC1)C(=O)O[C@@H](C#N)C1CCCCC1 785942066 SOEGPLKSTVIVPM-HOTGVXAUSA-N 293.407 3.740 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C(C)=O)cc1C 786622450 CCFWYZOUMUIFOI-INIZCTEOSA-N 260.333 3.705 30 20 CHED CC(C)(C)CC(=NNc1cncc(Cl)n1)C1CC1 787152048 OZSUKJDMFSXCDZ-UHFFFAOYSA-N 266.776 3.744 30 20 CHED CCOc1ccc(NC(=S)NN=C2CCC2(C)C)cc1 788950490 BUUUTKNZDMAJLP-UHFFFAOYSA-N 291.420 3.548 30 20 CHED CC(C)=CCC[C@H](C)CC=NNCCc1ccncc1 789093235 BWGKCRATAGMLFB-INIZCTEOSA-N 273.424 3.972 30 20 CHED CC(=NNCCc1ccccn1)c1cc(C)c(C)cc1C 789097058 KWIWQAZWTDBQFY-UHFFFAOYSA-N 281.403 3.563 30 20 CHED c1ccc(-c2nnc(NN=C3CCC4(CC3)CC4)s2)nc1 792643567 SBOMBDHLIIDMIQ-UHFFFAOYSA-N 299.403 3.722 30 20 CHED CC[C@@H](C)CON=Cc1ccc(N2CCCCC2)o1 793144150 BYNXGSWJLOTWKD-CYBMUJFWSA-N 264.369 3.667 30 20 CHED C=CCN(C(=O)N[C@H]1CCCc2ccc(F)cc21)C(C)C 793333959 MQQAJVRWNMLMLN-INIZCTEOSA-N 290.382 3.809 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1c[nH]c2ccccc12 794936966 HOZGMQVONNHZJE-BQYQJAHWSA-N 279.343 3.841 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(Cl)c(Cl)c2)o1 796733889 XWBWILKPCXORPO-UHFFFAOYSA-N 282.082 3.677 30 20 CHED C#C[C@@H](CC)OC(=O)c1sc2ccc(C#N)cc2c1C 797091387 RWKOBHPRPFQOQQ-LBPRGKRZSA-N 283.352 3.650 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C#N)C(C)(C)C 797270099 RFRXOQDNZAVVBJ-CJNGLKHVSA-N 298.386 3.759 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C(/C)c1ccccc1OC 798554348 OPVCHMUXFUSOSM-DINCDJDBSA-N 273.376 3.569 30 20 CHED COc1ccccc1CON=Cc1ccc(F)c(F)c1 799118814 WEORRJVOGRKCKY-UHFFFAOYSA-N 277.270 3.524 30 20 CHED Cc1ccc(C(=O)Nc2cncc3ccccc23)cc1C#N 799356365 BXBYDFXACPYGJB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)s2)ccc1C#N 799495461 RKCJSUDYZHMPOZ-FNORWQNLSA-N 283.352 3.833 30 20 CHED CCc1cc(C#N)ccc1OCc1ccnc(Cl)c1 799588731 FVGUYGKCENZWLS-UHFFFAOYSA-N 272.735 3.748 30 20 CHED CCCC[C@H](C)C(=O)[C@H](C#N)c1nc2ccccc2o1 800387657 QPNSZHYRVCAAKO-RYUDHWBXSA-N 270.332 3.830 30 20 CHED CC(C)OC[C@@H](C)Nc1ccc(OC(C)C)c(C#N)c1 800519595 RXETYKVFYJULFB-CYBMUJFWSA-N 276.380 3.571 30 20 CHED CC(C)CCN(CCC#N)CCSC(C)(C)C 801924385 OIWXLKIJDCLDTG-UHFFFAOYSA-N 256.459 3.780 30 20 CHED C[C@H](Cc1ccccc1Cl)Nc1cc(C#N)ccn1 804355165 VBPFGCKBZLYQBW-LLVKDONJSA-N 271.751 3.650 30 20 CHED CC(C)CC[C@H]1CCCC1=NN[C@@H]1CCSC1 808001533 LSGBSCPYNWVDMP-CHWSQXEVSA-N 254.443 3.674 30 20 CHED COc1cccc(/C=C2/Cc3c(ccc(OC)c3F)C2=O)c1 809156144 JRPSPIXUOSJSMV-WQLSENKSSA-N 298.313 3.665 30 20 CHED C#Cc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 809611906 BMTPNUWBSXZMDV-UHFFFAOYSA-N 279.358 3.976 30 20 CHED C=CCCCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl 809915278 TYJYRDJUQRAFGG-UHFFFAOYSA-N 297.742 3.726 30 20 CHED C=CCCCCCCCNCc1c(C)noc1C 810160731 RELYZVMRGGVOIW-UHFFFAOYSA-N 250.386 3.908 30 20 CHED C=CCCCCOC(=O)c1ncccc1C(F)(F)F 811011162 NUQVGVSLGSMEME-UHFFFAOYSA-N 273.254 3.614 30 20 CHED Cc1cccc(C(=O)/C=C/c2cn(C)nc2C(F)F)c1 812240837 ULBDCTITXNUOEH-VOTSOKGWSA-N 276.286 3.562 30 20 CHED C/C=C(/C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 813278333 FUEKTPRXLLJJNZ-BASWHVEKSA-N 293.326 3.650 30 20 CHED C=CCCCCCCCCNC(=O)[C@@H]1CCC=CO1 813694717 BHMOVJHMEZRXOE-HNNXBMFYSA-N 265.397 3.712 30 20 CHED CCOc1ccccc1NC(=O)C#Cc1ccc(CC)cc1 814400357 KTKQZOQIRDSLQY-UHFFFAOYSA-N 293.366 3.638 30 20 CHED COc1ccccc1CON=Cc1cccc(O)c1Cl 814923759 NKPDWBIGXXYELU-UHFFFAOYSA-N 291.734 3.605 30 20 CHED C=CCC(F)(F)C(=O)Nc1cnn(CCCC)c1C(C)C 816471610 KEDQDSCPVBZTFE-UHFFFAOYSA-N 299.365 3.957 30 20 CHED Clc1cc(NN=C2CC[C@H]2C2CC2)cc(Cl)n1 819828762 PKAUJDLXYACDAP-VIFPVBQESA-N 270.163 3.976 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C)C(=O)c1cccc(F)c1 821452407 ZGVGSRIPASXQRD-LLVKDONJSA-N 278.323 3.542 30 20 CHED CC1(CCC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 822957767 ITHXUHKIMUHUET-MRXNPFEDSA-N 282.387 3.632 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl 831329507 AEBVSAAJACSBPG-NSHDSACASA-N 298.213 3.700 30 20 CHED CC[C@@H](C)[C@H](C=NNc1cc(C)ccc1F)OC 834962427 WOVBLXRYJAYNJX-RISCZKNCSA-N 252.333 3.593 30 20 CHED C[C@H](OC(=O)CC1CC(F)(F)C1)c1cccc(C#N)c1 835130159 FQOPRHOTIOFENC-JTQLQIEISA-N 279.286 3.598 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H](C)SCc1ccccc1 839033719 HQOQUGYFKGRQRU-UONOGXRCSA-N 276.401 3.653 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(Cl)s2)C1 839045027 XAEQKRYTYAHZJV-BDAKNGLRSA-N 269.753 3.641 30 20 CHED Cc1cccc([C@H](C)C(=O)O[C@H]2CCC[C@H](C#N)C2)c1 839057504 YBZVOBXLXLFJMY-DZKIICNBSA-N 271.360 3.724 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc(Cl)s1 839383679 MKLCXYFFDJCGIK-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C=CCCOCCCCC(=O)N(c1ccccc1)C1CC1 839420699 IKQKGTGBJMQYOO-UHFFFAOYSA-N 287.403 3.945 30 20 CHED COC[C@H](C)[C@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839434362 BZONPJKAPSGWTQ-STQMWFEESA-N 296.370 3.569 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(Cl)cc(Cl)n2)C1 839449760 OTSOSFLEUNWJRC-WPRPVWTQSA-N 299.157 3.628 30 20 CHED CCOC1(C/N=C\c2cc3ccccc3nc2O)CCCC1 840705466 GFIFCWPQOWOHMP-UNOMPAQXSA-N 298.386 3.709 30 20 CHED CN1CCCC(=NNc2cccc(Cl)c2Cl)CC1 841644099 GQEUNVVDEOTEEH-UHFFFAOYSA-N 286.206 3.877 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@]2(C)CCc3ccccc32)n1 842678193 ZWNRWKFWRHJMSG-CXAGYDPISA-N 296.395 3.532 30 20 CHED COc1ccc(-c2ccc(Cl)nc2)cc1C1(C#N)CC1 844229012 IIXMXNSKUVJARF-UHFFFAOYSA-N 284.746 3.966 30 20 CHED COC[C@@H](CC(C)(C)C)Nc1ccccc1O[C@H](C)C#N 845951824 ROTARKCFFGVZLT-ZIAGYGMSSA-N 290.407 3.841 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2c(C3CC3)cnn2C)c1 849243524 UUWIBAOYYCVHNU-CMDGGOBGSA-N 280.371 3.810 30 20 CHED C=C(Cl)CSCC(=O)N(Cc1ccc(C)o1)C1CC1 853784005 URBPLGYVGJDXIQ-UHFFFAOYSA-N 299.823 3.565 30 20 CHED C=CC[C@H]1CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 853801977 OYYQVZMUBHNFIV-ZDUSSCGKSA-N 288.347 3.590 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 854448143 RNXYNBJJHJIYEC-UHFFFAOYSA-N 294.398 3.513 30 20 CHED C=CCN(C(=O)c1cc(Cl)c(Cl)n1C)C(C)(C)C 857650776 HZLOLRJKVISLCW-UHFFFAOYSA-N 289.206 3.759 30 20 CHED FC(F)(F)c1cc(C=NO[C@@H]2CCCCO2)cs1 863105971 HLCWNEWLUZGECM-SNVBAGLBSA-N 279.283 3.644 30 20 CHED CCCCC(CC)=NNCC(F)(F)C(F)(F)F 863180093 YVKMPIJPEIAHPG-UHFFFAOYSA-N 260.250 3.730 30 20 CHED CCc1ccc(N=C2SC[C@H](CC)N2C(C)=O)cc1 870958087 KCVGIDAELSUNCI-AWEZNQCLSA-N 276.405 3.610 30 20 CHED N#CC1(C(=O)OCc2cccc3ncccc23)CCCCC1 873349845 CBGXKCAVYKJCHP-UHFFFAOYSA-N 294.354 3.752 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](C)c1ccccc1F 878142296 DECWVPDEZZBTLD-LBPRGKRZSA-N 263.356 3.947 30 20 CHED C=CCCC[C@@H](NCc1cocn1)c1ccccc1 883212046 ZWDHHASFEXIFME-MRXNPFEDSA-N 256.349 3.862 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc2oc(CO)cc2c1 895197469 SDMMARJEEFVDPI-LLVKDONJSA-N 272.348 3.665 30 20 CHED CC(C)n1cncc1/C=C1\CCOc2ccccc2C1=O 901472614 OKWGTLVIMCTRKA-UKTHLTGXSA-N 282.343 3.513 30 20 CHED C=C(Cl)C[C@@H](NCC1CCC(C(C)C)CC1)C(=O)O 901941645 YKRWAMUBAJTDER-JXQTWKCFSA-N 287.831 3.634 30 20 CHED CCc1cnc(CN[C@@H](CC)c2cccc(C#N)c2)s1 902826330 RJEACSWQKSDNQX-HNNXBMFYSA-N 285.416 3.818 30 20 CHED CC[C@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1 902994180 MAMDLOTYTFMPLU-UONOGXRCSA-N 282.309 3.940 30 20 CHED Cc1ccsc1-c1ccc(F)c(C[C@@H](C#N)CO)c1 904782524 RJVGTVYNNOMSRG-NSHDSACASA-N 275.348 3.537 30 20 CHED C=CCN(C(=O)CCCOc1ccccc1C)C(C)C 915153903 ZBDWKROBLULANF-UHFFFAOYSA-N 275.392 3.577 30 20 CHED CC(=NNC(=S)NC1CCCCC1)c1ccccc1C 915924956 LPDUCELAJGHUCU-UHFFFAOYSA-N 289.448 3.516 30 20 CHED CCOc1ccc(C(C)=NNc2ccc(C(=O)O)cc2)cc1 916240710 UVKVCJORPQAVHE-UHFFFAOYSA-N 298.342 3.620 30 20 CHED C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 920061584 YCDDDUWNYGPTPT-RBSFLKMASA-N 293.455 3.640 30 20 CHED COc1cccc(/C=N\C[C@@H]2CCC[C@H](C)C2)c1O 920175537 WYAUSKUTGGAMAJ-FSUYJDLYSA-N 261.365 3.646 30 20 CHED CCOc1ccc(C/N=C\c2cc(OCC)ccc2O)cc1 920387290 OTAWTPRKSCVTMC-UYRXBGFRSA-N 299.370 3.809 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1cccc(C(F)F)c1 923159312 DETBSVQQKGRAIS-KBPBESRZSA-N 296.313 3.649 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1COc2ccc(Cl)cc21 925532503 SMFDDWVTADPAII-MFKMUULPSA-N 278.783 3.691 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(COC(C)(C)C)c1 933216272 LPTMTLYTVKOACV-UHFFFAOYSA-N 296.798 3.876 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCCC(F)F 1119688057 STOZKZBNSZFVBU-UHFFFAOYSA-N 296.361 3.820 30 20 CHED N#CC[C@H](C(=O)OC1CCC(F)(F)CC1)c1ccccc1 1131486001 YBASZPLBCAZTQU-AWEZNQCLSA-N 293.313 3.805 30 20 CHED CC(C)CCC[C@H](C)NCCc1ccc(C#N)cc1 1170061533 TWGQCHHYYMIFPU-HNNXBMFYSA-N 258.409 3.905 30 20 CHED N#Cc1cncnc1Oc1cccc(Oc2ccccc2)c1 1184625483 PHGDLYBFHJPBKY-UHFFFAOYSA-N 289.294 3.933 30 20 CHED Cc1csc(NC(=O)N[C@@H](C)c2ccsc2)c1C#N 1204888984 MEQYAOBSLHZIIV-VIFPVBQESA-N 291.401 3.872 30 20 CHED CCCC1(CNC(=O)Nc2sccc2C#N)CCC1 1219354483 JDWHVXDAZWZEFY-UHFFFAOYSA-N 277.393 3.712 30 20 CHED CCC[C@@H](NC(=O)Nc1cc(C)c(C#N)cn1)C(C)(C)C 1219692431 NPDYDEDYXPXBNI-CYBMUJFWSA-N 288.395 3.598 30 20 CHED C/C=C(/C=C/c1nnc(COc2ccc(C#N)cc2)o1)CC 1261426373 MIPUYHIBNYWLCB-XKVQTANESA-N 295.342 3.890 30 20 CHED CC(Cc1ccccc1Cl)=NN[C@@H]1CCOC(C)(C)C1 1320514382 UQMUYTBTUQYZSN-CQSZACIVSA-N 294.826 3.806 30 20 CHED C=CCCCCCOC(=O)c1cn2c(C)cccc2n1 1320873601 CFZMSLRUCHHWRP-UHFFFAOYSA-N 272.348 3.546 30 20 CHED N#CCOc1cccc(CNC2CCC(C(F)F)CC2)c1 1321674971 UPIDOQCPQKATIJ-UHFFFAOYSA-N 294.345 3.502 30 20 CHED Cc1nc(C(C)C)oc1COC(=O)c1cccc(C#N)c1C 1324291753 PCNSDEUTEKPJGL-UHFFFAOYSA-N 298.342 3.644 30 20 CHED C=CC[C@@H](NC1CCC2(CCCO2)CC1)c1ccncc1 1326198886 KCWPCCVQLYCBAG-LXPRWKDFSA-N 286.419 3.780 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1Cc2ccc(C)cc2S1 1330459029 IRRBOOSDIVMZJI-HNNXBMFYSA-N 289.444 3.730 30 20 CHED CCCC[C@H](C(=O)Nc1ccc(OCC#N)cc1)C(C)C 1331211600 WLTDRHGORXMVLG-INIZCTEOSA-N 288.391 3.990 30 20 CHED CC[C@H](CO)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1332822484 PGKJZXXCQUHOAU-AUUYWEPGSA-N 294.398 3.647 30 20 CHED N#CCc1ccccc1CC(=O)NC1(C2CCCCC2)CC1 1333627975 QGGLUIZLDCIFNJ-UHFFFAOYSA-N 296.414 3.524 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1nc2ccccc2o1 1336215025 ACPXHINRTALNCT-CQSZACIVSA-N 298.386 3.718 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](Nc2cccc(CC#N)n2)C1(C)C 1345065610 GMWWYGGEPHAGHN-UONOGXRCSA-N 287.407 3.542 30 20 CHED C=C(CC(C)C)C(=O)NCc1nc2cc(C)ccc2s1 1347352124 KZLCTZLRLNQXFI-UHFFFAOYSA-N 288.416 3.823 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)C1 1434887998 VLENVIRSMLHTAF-VXGBXAGGSA-N 290.794 3.768 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CC(C1CC1)C1CC1 1515511489 GGICEXQJQYCXCR-LLVKDONJSA-N 263.381 3.684 30 20 CHED COc1cc(C#N)ccc1C(=O)Nc1cccc(SC)c1 1523528814 UUAIPDHPDGPEED-UHFFFAOYSA-N 298.367 3.541 30 20 CHED COc1ccc(NC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1C#N 1536118670 ZUGMCBXDLJUVBX-ITGUQSILSA-N 286.375 3.578 30 20 CHED CC[C@@H](C)CN(CC)C(=O)[C@H](CC#N)c1ccccc1 1539984415 NUVQVAGOQAHXIQ-GDBMZVCRSA-N 272.392 3.578 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H](C)Cc1cccs1 1543491859 VUDPFWAQZOXWAQ-GFCCVEGCSA-N 298.411 3.631 30 20 CHED CCc1c[nH]c2ncnc(Sc3ccc(C#N)cc3F)c12 1559110255 VXSWPIYNMOTACP-UHFFFAOYSA-N 298.346 3.682 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc(Cl)c(C#N)c1 1583221373 OZTAXQJORPUQNC-BDJLRTHQSA-N 290.794 3.910 30 20 CHED Cc1csc(NC(=O)c2ccc3cnccc3c2)c1C#N 1587029044 HNQMUOCIJZCNMA-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=CCC[C@@H](CCC)NCC1(C(=O)O)CCCCC1 1588778164 VRJNYYRRRDWOKL-CQSZACIVSA-N 267.413 3.746 30 20 CHED CCCCCCCCN1[C@H](C)CCC[C@@H]1C(=O)O 1603641191 VTUCENKKEHQRIC-ZIAGYGMSSA-N 255.402 3.675 30 20 CHED C[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@@H]1C 1628704578 YLJNCUILBIZSLI-DTORHVGOSA-N 297.185 3.593 30 20 CHED C[C@H]1CCC[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N 1639447688 XGQANSHIPYQRKK-AAEUAGOBSA-N 257.381 3.851 30 20 CHED CCc1cccc(COc2ccc(C#N)cc2F)c1 1651870144 KDJWCIGVFPNGMK-UHFFFAOYSA-N 255.292 3.839 30 20 CHED CC[C@@H](Nc1ccc(C#N)c(C)n1)c1cc(F)ccc1OC 1652249618 HKPSSJPTSLKZTE-OAHLLOKOSA-N 299.349 3.973 30 20 CHED N#Cc1ccsc1NC(=O)NCc1ccc2occc2c1 1672817706 BQXBBGDBJKAJLS-UHFFFAOYSA-N 297.339 3.688 30 20 CHED CC[C@H](NC(=O)Nc1cc(C#N)ccc1C)[C@H]1CC1(C)C 1675086198 RWINKXHDSAHRDF-KGLIPLIRSA-N 285.391 3.813 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC(C)(C)CC(C)(C)C1 1686739232 ZWIVUZOAKDVNEQ-UHFFFAOYSA-N 293.455 3.784 30 20 CHED CC1(C)CC[C@H](F)C1=NNc1ccc(Cl)c(C(=O)O)c1 1776034768 XXEBMHYUAFBJDI-NSHDSACASA-N 298.745 3.964 30 20 CHED CCCC1CCC(C=NNc2ccc(C(=O)O)nc2)CC1 1776070526 UXGFAHJTCBYUMP-UHFFFAOYSA-N 289.379 3.784 30 20 CHED Cc1cc(C)c(C=NNc2ccc(CC(=O)O)cc2)cc1C 1776083780 YSECYOUZZBMXPJ-UHFFFAOYSA-N 296.370 3.685 30 20 CHED C=C(C)C[C@@H](NCc1ccc(CC2CCC2)cc1)C(=O)O 1776137556 HXNXSYKSZSMHEY-QGZVFWFLSA-N 287.403 3.538 30 20 CHED C=C1C[C@@H](C(=O)O)N(CC2CCC(c3ccccc3)CC2)C1 1776145877 XIAZHNYGJBXLQR-VJFUWPCTSA-N 299.414 3.676 30 20 CHED C=CCCC[C@@H](NC[C@@H](C)CCc1ccccc1)C(=O)O 1776171232 QBBNDZSQSBINPP-DOTOQJQBSA-N 289.419 3.654 30 20 CHED C=CCCC[C@H](NCc1ccccc1C(C)(F)F)C(=O)O 1776207263 IRLPWNUVBXODQZ-AWEZNQCLSA-N 297.345 3.697 30 20 CHED CC(C)c1cccc(/C=C/c2nc(C(=O)O)ccc2C#N)c1 1776375942 KVNYRHMKFSZBEO-SOFGYWHQSA-N 292.338 3.945 30 20 CHED Cc1nc(CNc2ccc(C#N)cc2Cl)sc1C 225235978 CBRHAUNVWSXRNN-UHFFFAOYSA-N 277.780 3.897 30 20 CHED N#CCc1ccccc1C(=O)OCc1cccc(Cl)c1 28719022 UDVNNMSWTHXCOL-UHFFFAOYSA-N 285.730 3.763 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(C#N)cc1 56515869 FQNZHDAXDCEIMQ-QGZVFWFLSA-N 291.354 3.676 30 20 CHED CCCCCCCCCn1cnc2ncccc2c1=O 171553580 ANNQZFYPORJDAD-UHFFFAOYSA-N 273.380 3.542 30 20 CHED CC(C)COc1cccc(NC(=O)c2cccc(C#N)c2)c1 55467887 YLPHKYNPXAGTJZ-UHFFFAOYSA-N 294.354 3.845 30 20 CHED C=CCCCCNCc1ccc(OC)c(Br)c1 310082225 KFQDOVDBYOPVTC-UHFFFAOYSA-N 298.224 3.904 30 20 CHED CCCC[C@H](CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 26130984 WHNZTQAUOAGXOZ-HIFRSBDPSA-N 272.392 3.952 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccccc1 69615844 QQPXGILRQAAAIJ-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED CCC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CCCC1 179550203 LGHQVYKUJRIBKX-CQSZACIVSA-N 290.794 3.991 30 20 CHED N#Cc1cc(F)ccc1COc1ccccc1OC(F)F 106067837 BPTSZAYOESBKAT-UHFFFAOYSA-N 293.244 3.878 30 20 CHED C[C@H]1CCCCN1CCCNc1c(F)cc(C#N)cc1F 111142659 TUJVYXDNEKBLMV-LBPRGKRZSA-N 293.361 3.513 30 20 CHED Cc1c(C#N)cccc1NCc1csc(C2CC2)n1 179457893 AHBBNXMSCMMDKY-UHFFFAOYSA-N 269.373 3.813 30 20 CHED C=C[C@H](C)N[C@H](C)c1sc(C(C)(C)C)nc1C 119350001 CJUAOXGNQVEVNK-VHSXEESVSA-N 252.427 3.974 30 20 CHED CCSCC[C@@H](C)N(C)C(=O)Nc1cccc(C#N)c1 174443549 AJHHFQSPFWWBEI-GFCCVEGCSA-N 291.420 3.554 30 20 CHED C=CCN(CC=C)C(=O)CCCc1cc(C)sc1C 177103663 IOWJGYHZRVDXNK-UHFFFAOYSA-N 277.433 3.888 30 20 CHED COc1cc(C#N)cc(Cl)c1OCc1nc(C)cs1 176114092 WRKQOMSXCQLMEL-UHFFFAOYSA-N 294.763 3.564 30 20 CHED C=CCCCOC(=O)c1csc(-c2ccoc2)n1 117995445 NIQOYFPQJXMWJB-UHFFFAOYSA-N 263.318 3.526 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1C[C@]12CCCc1ccccc12 175074837 HOINNJVAWPMZHY-MJGOQNOKSA-N 283.415 3.705 30 20 CHED CC[C@H](Nc1cccc(C#N)n1)c1ccc(F)cc1F 301391529 ZTSBWHFUJOJWAF-AWEZNQCLSA-N 273.286 3.795 30 20 CHED C#CCCCNC(=O)N[C@H](c1ccccc1)C1CCCC1 174114169 TUQXGQCNHXAZHM-QGZVFWFLSA-N 284.403 3.631 30 20 CHED Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C#N)c2C)c1 178642619 MDVWCIFVPLHDPC-AWEZNQCLSA-N 294.354 3.581 30 20 CHED N#Cc1ccc(N2CCc3ccc(Cl)cc3C2)c(F)c1 301880877 VPMLDTWSRKEXPC-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(C#N)cc1 123121166 BJADJBRGOSVEAK-SJORKVTESA-N 299.418 3.668 30 20 CHED C[C@H](C#N)NC(=O)c1ccc(CSc2ccccc2)cc1 125900468 HCUQDUHPAQGUBJ-CYBMUJFWSA-N 296.395 3.621 30 20 CHED CC[C@H](CC#N)NCc1cccc(OC2CCCC2)c1 184081615 VFZGURYEEQCDNT-OAHLLOKOSA-N 272.392 3.790 30 20 CHED C[C@H](CC#N)N(C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 187180739 KGLCGJMICRGHQZ-DJIMGWMZSA-N 256.393 3.731 30 20 CHED C[C@H]1CSC(SCc2ccc(Cl)cc2C#N)=N1 186667207 IPPCMRZREGCTFI-QMMMGPOBSA-N 282.821 3.936 30 20 CHED C=CCN(C)Cc1csc(COc2ccc(C)cc2)n1 121322438 WSECVTQQQUFCSI-UHFFFAOYSA-N 288.416 3.648 30 20 CHED CCn1c(S[C@@H](C)CCC#N)nnc1-c1ccccc1 188189612 XBLYTMNGHQEHML-LBPRGKRZSA-N 286.404 3.749 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1cnccn1)c1ccc(F)c(F)c1 186455449 ROBHZRRAHWHAOB-BDJLRTHQSA-N 289.329 3.723 30 20 CHED CCN(CCC#N)Cc1ccc(-c2c(F)cccc2F)o1 127617942 IJFOFTNMXKSUPE-UHFFFAOYSA-N 290.313 3.960 30 20 CHED C=CCOc1ccc(CN2C[C@@H](C)OC[C@@H]2C)cc1Cl 508024102 DSTAOTMKBFZEGW-QWHCGFSZSA-N 295.810 3.514 30 20 CHED N#Cc1ccsc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 124606120 WXZWSRYWLGMNHF-QWHCGFSZSA-N 286.331 3.501 30 20 CHED CCOc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1O 71923717 LJXFXLPDCXWRKR-SOFGYWHQSA-N 293.322 3.559 30 20 CHED N#Cc1cccc(NC(=O)/C=C\c2cccc(Cl)c2)c1 33469821 HHMRLGCUKQERJN-FPLPWBNLSA-N 282.730 3.864 30 20 CHED Cc1ccc(CCN[C@@H](C)c2ccc(OCC#N)cc2)cc1 181998979 GMNNWPKLCOWFNY-INIZCTEOSA-N 294.398 3.791 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCCc3ccccc32)cc1 180412020 SSRJTFIGVIXPCI-HNNXBMFYSA-N 292.382 3.930 30 20 CHED Cc1cc(CN2CCC[C@@H]2C2CCC2)ccc1C#N 487911424 MAXBDIJTBBFZBQ-QGZVFWFLSA-N 254.377 3.631 30 20 CHED C=C(C)CCN[C@H](c1ccc(F)cc1)c1ccccn1 509023231 PLECHJBXFRUBAK-QGZVFWFLSA-N 270.351 3.866 30 20 CHED C=CCCN(Cc1csc(C)n1)OCc1ccccc1 187373948 CCEXNCGUIKSDAG-UHFFFAOYSA-N 288.416 3.961 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1(C#N)CCCC1 70767274 WXDQERNNAMHKEX-HNNXBMFYSA-N 298.430 3.943 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2ccccc2s1 489428291 DMORUFOTIIOHBB-LBPRGKRZSA-N 258.390 3.837 30 20 CHED N#CC1(CCN2CCC[C@H](OCC3CC3)C2)CCCCC1 411571411 PHVOCBWOSQLXPX-KRWDZBQOSA-N 290.451 3.742 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1CCCCC1 412847010 XSLKMMWADNTKTF-QGZVFWFLSA-N 271.404 3.870 30 20 CHED CC[C@]1(C)CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 128225145 GXCCVXJYSAHGNX-MRXNPFEDSA-N 290.794 3.864 30 20 CHED CCC[C@H](C)C(=O)Oc1c(Cl)cc(C#N)cc1OCC 78308049 BTVCZFRIVLVHNI-JTQLQIEISA-N 295.766 3.952 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2SCCc3sccc32)c1 79403560 ORNJLBGZTIKTFV-OAHLLOKOSA-N 299.420 3.699 30 20 CHED N#CCc1cccc(NC(=O)c2ccc3ccccc3n2)c1 313463865 PVWMKUPLSGTOAL-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CC[C@H]1CC[C@H](C(=O)N2CCc3cc(C#N)ccc32)CC1 416011459 JBJHZUSXGCFRKG-CTYIDZIISA-N 282.387 3.664 30 20 CHED C#CCN(CCC)[C@@H](C)c1ccccc1Br 71954100 JYDMCHUBDNDDAC-LBPRGKRZSA-N 280.209 3.855 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCCc1ccc(Cl)cc1 410825827 GNWHQMNFMIXRNX-OAHLLOKOSA-N 292.810 3.813 30 20 CHED CCCN(Cc1cccc(C#N)c1)Cc1ccccc1O 130719811 ZCKYLECXVZFJCA-UHFFFAOYSA-N 280.371 3.676 30 20 CHED C[C@@H](C#N)CNCc1cc(Cl)cc(C(F)(F)F)c1 188395860 WWPPUVLQDJOEIS-QMMMGPOBSA-N 276.689 3.608 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](Cc1ccccc1)C1CC1 188433592 LGUNASNBDLUXBX-AEFFLSMTSA-N 271.404 3.726 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)Sc1ccc(C)cc1 410831076 XTBDBABFIIKOCU-UONOGXRCSA-N 290.432 3.626 30 20 CHED COc1cc(C#N)ccc1CSCCC1(OC)CCC1 419529790 YIVDKAFFDJQRRM-UHFFFAOYSA-N 291.416 3.759 30 20 CHED C=CCCOCCN[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 181025834 OSULYMVAKBVMNX-OAHLLOKOSA-N 298.430 3.516 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(OC)cc(OC)c1Cl 413934518 SDMWIEQHOHXUJU-HNNXBMFYSA-N 297.782 3.898 30 20 CHED C=C(C)CN1CCC(NC(=O)C[C@@H](C)CCCCC)CC1 80079784 LSJKMMQUNQLLJO-INIZCTEOSA-N 294.483 3.750 30 20 CHED CC(C)CN(CCC#N)Cc1ccccc1Br 49800832 MGJSKNFXOAWBNW-UHFFFAOYSA-N 295.224 3.821 30 20 CHED Cc1ncc(CN[C@@H](CCC#N)c2ccccc2)s1 130434359 HSLLHXYDGOZMQA-HNNXBMFYSA-N 271.389 3.586 30 20 CHED Cc1cc(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)nc(C(C)C)n1 328904293 JDQWDVNERPXOLV-PWSUYJOCSA-N 289.379 3.502 30 20 CHED C=C(CC)CNCc1cc(Br)cs1 85058711 GEYIUMPCKLTBLH-UHFFFAOYSA-N 260.200 3.566 30 20 CHED COc1cc(F)ccc1NCc1cn2ccccc2c1C#N 193417446 MZERWGRAVUANBJ-UHFFFAOYSA-N 295.317 3.571 30 20 CHED Cc1ccccc1[C@@H](Nc1cncc(C#N)n1)C(C)(C)C 420593552 BZHJQANEFGHYQV-MRXNPFEDSA-N 280.375 3.856 30 20 CHED Cn1c(COc2ccc(C#N)c(Cl)c2)nc2ccccc21 190251519 SANMKKRDHNRHDE-UHFFFAOYSA-N 297.745 3.677 30 20 CHED C=CCc1cccc(F)c1OCCOC1CCC1 424101045 MBGABINVUOLJRN-UHFFFAOYSA-N 250.313 3.502 30 20 CHED O=C1/C(=C\c2ccsc2)COc2c(F)cc(F)cc21 194579611 PNSKGGYFZACKMS-OQFOIZHKSA-N 278.279 3.685 30 20 CHED C#CCCCC(=O)Nc1cccc(Oc2ccncc2)c1 192121386 BWBFWZUNTZPFIU-UHFFFAOYSA-N 280.327 3.616 30 20 CHED C=C(C)CSc1nncn1[C@H](C)c1ccccc1 49517481 ZERJLQAGNRNFCQ-GFCCVEGCSA-N 259.378 3.556 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C#N)cc2)cc1 47333846 WWJSXYKEEOSKML-CYBMUJFWSA-N 279.343 3.749 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C(C)=O)c(C)c1 89466569 VNMGNJFRLNJBJB-UHFFFAOYSA-N 274.364 3.628 30 20 CHED CCN(C(=O)[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 425518452 SBHPVJIALNWMQC-CZUORRHYSA-N 270.376 3.737 30 20 CHED C[C@H]1CCCC[C@@H]1CCNCc1cccc(C#N)c1 512223572 CRUVMDVRBCYIBI-WMLDXEAASA-N 256.393 3.864 30 20 CHED CN(CCCCC#N)Cc1cccc(Br)c1 49579428 SGQOLJPPFNLQGT-UHFFFAOYSA-N 281.197 3.575 30 20 CHED CCOc1ccc(CN(CCC#N)CC(CC)CC)nc1 88535236 FDSQMRUJHOIAET-UHFFFAOYSA-N 289.423 3.632 30 20 CHED C=C(CNC(=O)N1C[C@@H](C)C[C@@H]1CC)c1ccccc1 512678007 NWZFHJXSEVIHGA-BBRMVZONSA-N 272.392 3.530 30 20 CHED Cc1cc(CSCc2nc(C(F)F)no2)ccc1C#N 424152826 MCZSNCSQBLCZNO-UHFFFAOYSA-N 295.314 3.621 30 20 CHED N#C[C@@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CC1 80412758 FCDACDBKTUISGB-QGZVFWFLSA-N 294.354 3.506 30 20 CHED C[C@@H]1CCC[C@H](N[C@@H](C(=N)O)c2ccc(C#N)cc2)[C@@H]1C 330790915 ABPILIDDKVQEFT-AVRGHOLYSA-N 285.391 3.549 30 20 CHED C[C@]1(CNCc2cccc(C#N)c2)C[C@H]1c1ccccc1 339443844 AXFWPZVTSNDWRA-RBUKOAKNSA-N 276.383 3.842 30 20 CHED CCCCCCCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 193234935 FOVRSIZXZWSSNS-UHFFFAOYSA-N 292.379 3.914 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 334198949 MIUAHJHTHWALEA-HNNXBMFYSA-N 292.382 3.530 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 336245185 LSGDXOSRNASTCV-OTYXRUKQSA-N 297.185 3.502 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC=C(c2ccccc2F)C1 335107686 JXCYLDRRYLKYQY-UHFFFAOYSA-N 273.351 3.654 30 20 CHED Cc1cnccc1SCCCOc1cccc(C#N)c1 338622704 MNTFMIZSROMWGA-UHFFFAOYSA-N 284.384 3.823 30 20 CHED COCCCCCNc1cccc(Br)c1C#N 234651774 QQUBQZACVJWFLQ-UHFFFAOYSA-N 297.196 3.549 30 20 CHED C=CCSCCNC(=O)C[C@@H](C)C1CCCCC1 511962144 ATHHGNFNTHMPHT-CYBMUJFWSA-N 269.454 3.628 30 20 CHED Clc1cccc(C#CCN2CC[C@H]3CCC[C@@H]32)c1 426478282 AMNPFTMKNKPSCC-ZBFHGGJFSA-N 259.780 3.566 30 20 CHED COc1ccc([C@H](C)NCCCCC#N)c(Cl)c1 424273633 UCHHAVIFERGRCL-NSHDSACASA-N 266.772 3.693 30 20 CHED Cn1cc(-c2ccc(CNc3ccc(C#N)cc3)s2)cn1 337771641 VPALSIRZPZIQNY-UHFFFAOYSA-N 294.383 3.632 30 20 CHED N#CCC1CCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1 336202652 CUBLQLOZLAQYQQ-ROUUACIJSA-N 296.414 3.723 30 20 CHED COc1ccccc1C(C)(C)N/C(O)=N/[C@@H]1CC[C@H](C)C1 331220162 JFNSLEPKVOPRSR-QWHCGFSZSA-N 290.407 3.623 30 20 CHED CC#CCOC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 91112342 JBIMOCCVQZFKDZ-ZDUSSCGKSA-N 282.339 3.518 30 20 CHED CC(C)(C)CCCC(=O)NCC#Cc1cccc(F)c1 513222452 NTTDSDSIEAHAHV-UHFFFAOYSA-N 275.367 3.510 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cncc(F)c1 90664668 XBBPJIYIPVSUAJ-CXAGYDPISA-N 283.350 3.916 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(CC)cc1O 436831826 GZUVFFIVATZGFT-UHFFFAOYSA-N 275.392 3.773 30 20 CHED N#CCC1CCN(Cc2cc(O)cc(C(F)(F)F)c2)CC1 516823258 XTMHGUSIYCKWTO-UHFFFAOYSA-N 298.308 3.537 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cnn(-c2ccccc2)c1 432976405 HVBOQLQPVSWPCW-UHFFFAOYSA-N 298.390 3.596 30 20 CHED Cc1oc(C#N)cc1C(=O)NCc1ccc(C2CCC2)cc1 437174578 BPBUNPOYXDEAKW-UHFFFAOYSA-N 294.354 3.657 30 20 CHED Cc1cc(CN[C@H](C)c2ccsc2)ccc1C#N 619747878 NWTOJVLFMYAVLT-GFCCVEGCSA-N 256.374 3.779 30 20 CHED CC[C@@H](C)[C@H](C)NCc1ccc(N(C)CCC#N)cc1 236878309 SQEGLWQGJOJNMW-CABCVRRESA-N 273.424 3.561 30 20 CHED CCCn1c(CNc2cccc(C#N)c2)nc2ccccc21 237035414 MDCJFEYJUJPMLL-UHFFFAOYSA-N 290.370 3.930 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(C#N)cs1 437570825 STJIAYCBGHJGKJ-CHWSQXEVSA-N 276.405 3.708 30 20 CHED Cc1ccc(CCCCC(=O)NCC2(CC#N)CC2)cc1 431164521 XMEPKLBTRMUKQQ-UHFFFAOYSA-N 284.403 3.518 30 20 CHED Cc1cccc(N[C@H]2CCCc3cc(C#N)ccc32)n1 346241330 QKRRDFCXMQIQSD-INIZCTEOSA-N 263.344 3.751 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)s1 346646314 WFQYRDFCPLPFKF-ZJUUUORDSA-N 269.797 3.540 30 20 CHED Cc1ccc2c(CCNc3nccc(C)c3C#N)c[nH]c2c1 343432718 HWJCYCYUPBJQQW-UHFFFAOYSA-N 290.370 3.706 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2ccc(F)cc2C#N)c1 433969035 YAZRTPBJQIEEPK-GFCCVEGCSA-N 282.318 3.748 30 20 CHED CCOCc1ccc(Nc2c(C#N)cccc2C#N)cc1 436402987 DPZWTNLUMJYHBR-UHFFFAOYSA-N 277.327 3.710 30 20 CHED C=CCC[C@@H](NCCCO)c1ccc(C(F)(F)F)cc1 342217157 FDRDNYMCLFDLGK-CQSZACIVSA-N 287.325 3.685 30 20 CHED C=C(C)[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1ccc(F)c(F)c1 249276425 DEXVDTRRWCMRGK-XEZPLFJOSA-N 291.341 3.744 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](CC)O1 347863836 ACRWZZARMJHMQO-SJORKVTESA-N 287.403 3.549 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccccc1SCC 341886025 MHUYOVKWKQCBGN-ZIAGYGMSSA-N 279.449 3.634 30 20 CHED C[C@@H]1CCN(CCCSCC#N)[C@H]2CCCC[C@H]21 525308579 VTIWOGQBSDYBMH-ILXRZTDVSA-N 266.454 3.534 30 20 CHED C[C@H]1CC[C@@H](c2noc(-c3ccc(C#N)c(Cl)c3)n2)O1 528230411 GJRIIOLYMKWKAI-UFBFGSQYSA-N 289.722 3.502 30 20 CHED Cc1ccc(SC[C@@H](C)Nc2cc(C#N)ccn2)cc1 342883332 NGEVLORBTBRXQS-CYBMUJFWSA-N 283.400 3.854 30 20 CHED CC[C@@H](CCc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 527909009 HHEAZZUSSICZFQ-YESZJQIVSA-N 256.393 3.680 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1coc(SC)c1 601039732 QGYYFTSWVMMZLQ-UHFFFAOYSA-N 294.420 3.794 30 20 CHED C=CC[C@@H](C)NC(=O)CCC(=O)c1ccc2ccccc2c1 604881351 ZIWGIBVDKPGWIX-CQSZACIVSA-N 295.382 3.884 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1CCCCO1 346778023 LFHISRPRBQPLOO-GOSISDBHSA-N 286.419 3.585 30 20 CHED Cc1nc2c(C(=O)Nc3cc(C#N)ccc3C)cccc2o1 348193920 FHUBGKWDHJIJJZ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 182495504 WKOCCVPFGYUIKM-SNVBAGLBSA-N 296.754 3.723 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCCc2ccc(C)cc21 529415900 BBHTXVNRZHVHGL-MRXNPFEDSA-N 284.403 3.819 30 20 CHED Cc1cc(CON=Cc2cccc(Cl)c2Cl)no1 255152061 HVFKIXXBYNYPIK-UHFFFAOYSA-N 285.130 3.841 30 20 CHED CC1(C)CCC/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O 255171694 OLMWTVWEXFUDDH-ZRDIBKRKSA-N 259.305 3.757 30 20 CHED C=CCOc1ccc(CNCCCc2ccc(C)nc2)cc1 348675026 PKOBWUMQBAEYLS-UHFFFAOYSA-N 296.414 3.677 30 20 CHED O=C(/C=C\c1nccn1CC(F)(F)F)C1CCCCC1 255538991 DTSXEEVTRSCDGT-SREVYHEPSA-N 286.297 3.608 30 20 CHED Cc1[nH]c2ccc(F)cc2c1CCNC[C@@H](C)CCC#N 602728212 ZLBBGOQCQMTCIB-LBPRGKRZSA-N 287.382 3.687 30 20 CHED CC(C)COc1cccc(NCc2cccc(C#N)n2)c1 602484739 PRLUIAPCQBCBOL-UHFFFAOYSA-N 281.359 3.600 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(C)c(F)c2)ccc1O 255345443 YVXPZWCXIOZHRK-ALCCZGGFSA-N 286.302 3.744 30 20 CHED CCCc1ccc(C(=O)N(C)c2ccccc2C#N)s1 602285558 YLXFWLPZVNSVQJ-UHFFFAOYSA-N 284.384 3.849 30 20 CHED CCSc1cccc(CN(C)CC(C)(C)C#N)c1 354017102 GXFJBLMSMPRQLD-UHFFFAOYSA-N 262.422 3.780 30 20 CHED C=CCCCCCN(C)Cc1cccc(C#N)c1F 537048983 NXLXZPJBZNMAHG-UHFFFAOYSA-N 260.356 3.876 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CC12CCCCC2 357201426 CRWYJBBKQHJZRX-OAHLLOKOSA-N 276.424 3.745 30 20 CHED CSc1ccccc1CN1CCCC(C)(C)[C@H]1C#N 444739717 VKLBWUVTQFUFEM-OAHLLOKOSA-N 274.433 3.923 30 20 CHED C=CC[C@H]1N(Cc2ccc(CO)cc2)CCCC1(C)C 444793219 RNFVDCKSJSYKSA-QGZVFWFLSA-N 273.420 3.746 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCCC(C)(C)C#N 611554287 KFHNYRPTCBXSRS-VXGBXAGGSA-N 276.346 3.979 30 20 CHED CN(C)c1ccc(-c2noc(C3(C#N)CCCCC3)n2)cc1 267096501 NVZHIKSPWIHFAH-UHFFFAOYSA-N 296.374 3.528 30 20 CHED C[C@H](CC#N)N(C)CCc1ccc2ccccc2c1 268274314 DCQANLQLRQVJTH-CQSZACIVSA-N 252.361 3.616 30 20 CHED CCC[C@H](CC(C)C)C(=O)N[C@](C)(C#N)C(C)C 449232970 JWQSEASFPCCMDB-UKRRQHHQSA-N 252.402 3.503 30 20 CHED C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cncc(F)c1 359236145 MBBBGXQKHWVPLX-QWRGUYRKSA-N 287.313 3.643 30 20 CHED CC(C)[C@H](C)NC1CCC(Oc2ccccc2C#N)CC1 536863471 LSNJMDBXSNPNOV-OOHWJJMZSA-N 286.419 3.882 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(CN3CCCCC3)c2)C1 442857739 NOWXIPYSCGTKJN-YJBOKZPZSA-N 283.419 3.777 30 20 CHED C=CCCCC[C@H](C)NC[C@@H](C)Cn1ccnc1C 449075455 RDIAXEJIPVGRGS-CABCVRRESA-N 263.429 3.552 30 20 CHED C=C[C@H](CC(=O)NCCC(C)(C)F)c1ccccc1 618410289 PGVWQULQCAVHLM-CYBMUJFWSA-N 263.356 3.601 30 20 CHED CCCCc1ccc(NC(=O)NCC(C)(C)C#N)cc1 611619625 KCMYINPWCGJZCG-UHFFFAOYSA-N 273.380 3.700 30 20 CHED Cc1cnccc1CCNc1nc(C(C)(C)C)ccc1C#N 613427851 PNFTVCXQAPBQBZ-UHFFFAOYSA-N 294.402 3.609 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Cl)c(Cl)c1 267275236 TXEIBSOCYQLSDO-LLVKDONJSA-N 285.174 3.661 30 20 CHED CC(C)c1c[nH]c(=NCc2ccc(C#N)c(Cl)c2)s1 619746741 MAERXGYUFUGOAJ-UHFFFAOYSA-N 291.807 3.826 30 20 CHED N#Cc1cc(F)c(N[C@@H]2CCc3cc(C#N)ccc32)c(F)c1 618693488 IERIKJOBOSZDTG-MRXNPFEDSA-N 295.292 3.808 30 20 CHED CC[C@H](CC#N)NCc1ccc(OC)c(O[C@H](C)CC)c1 613044495 YBGMZYKBKXNVGC-UKRRQHHQSA-N 290.407 3.654 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(F)c1F 537246477 GZTBAAPGUVHZNT-SNVBAGLBSA-N 268.307 3.831 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cc2c(s1)CCCC2 616138346 GXEARRZFASAPIH-UHFFFAOYSA-N 292.448 3.735 30 20 CHED CC1(C)CN(C(=O)c2cc(C#N)cs2)[C@@H]1c1ccccc1 610614062 FLNAZDHEEGVAJK-OAHLLOKOSA-N 296.395 3.843 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnn(CCC)c1C1CC1 455754798 OIVBPRWKDVJYLZ-ZDUSSCGKSA-N 290.411 3.647 30 20 CHED C=C(C)CCN[C@@H]1CCSc2ccc(F)cc21 453314786 ISCPBLYDDXZRIB-CYBMUJFWSA-N 251.370 3.918 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](CCC)c1ccc(Cl)cc1 612263968 MAIAKVYYTAXHRE-BXUZGUMPSA-N 265.784 3.914 30 20 CHED CC(C)(C#N)CCCN(CCCO)c1ccc(Cl)cc1 459762248 YAJLXYBWCAHQDM-UHFFFAOYSA-N 294.826 3.859 30 20 CHED C=CCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 617612906 XAMYOOVTMIDGGK-UHFFFAOYSA-N 277.795 3.844 30 20 CHED CC[C@H](OC(=O)CC(C)(C)C#N)c1ccc(F)cc1F 278831190 VBPXOUMSMOVRAA-ZDUSSCGKSA-N 281.302 3.899 30 20 CHED C=CCC[C@H](C(=O)N(C)[C@H]1CCSC1)c1ccccc1 275285103 FNZFZFJZWDIVKG-HOTGVXAUSA-N 289.444 3.700 30 20 CHED N#Cc1ccc(CNC(=O)N(C2CCCCC2)C2CC2)cc1 610842318 JZOMGDXVKSCARG-UHFFFAOYSA-N 297.402 3.565 30 20 CHED N#CCCCC(=O)NCC1CCC(c2ccccc2)CC1 360174249 BSOLWLVRCQZVCF-UHFFFAOYSA-N 284.403 3.770 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](CCOC)c1ccc(C)o1 272392972 ZPMPGNIHWOIAQD-HNNXBMFYSA-N 291.391 3.550 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 456305319 HWUVJVVVYWNYJR-WMZOPIPTSA-N 286.419 3.776 30 20 CHED C=CCN(C(=O)N[C@H](CC)c1ccc(OC)cc1)C1CC1 271478205 SEJBJTFJOGDZBV-MRXNPFEDSA-N 288.391 3.506 30 20 CHED C=CCC[C@H](NS(=O)(=O)CCCCC)c1ccccc1 545365581 XPYKONIWTLEALT-INIZCTEOSA-N 295.448 3.804 30 20 CHED CN(CC(C)(C)C#N)C(=O)NCc1ccc2ccccc2c1 458330028 LTWUQABTZQZMIJ-UHFFFAOYSA-N 295.386 3.531 30 20 CHED Cc1nc(C[S@](=O)CCCCC(C)(C)C#N)sc1C 277768892 FYPIHDHQFZDPGB-LJQANCHMSA-N 298.477 3.729 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCC[C@H]1CCC)OCC 542589658 HYUVAZMUGVJCEK-HUUCEWRRSA-N 267.413 3.539 30 20 CHED CC(C)[C@@H]1C[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 459273790 HVIUOBRWDWIMJT-LSDHHAIUSA-N 285.391 3.654 30 20 CHED CC#CCCCC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 279460274 CPLDFVBQJASDBV-RDJZCZTQSA-N 287.378 3.772 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2c(Cl)cccc21 467980874 FEFQIJXBJNIPGJ-OAHLLOKOSA-N 263.768 3.831 30 20 CHED CC(C)c1ccc(C(=O)NC2(C#N)CCC2)cc1Cl 276165981 RQCRJSYXWMYPCG-UHFFFAOYSA-N 276.767 3.639 30 20 CHED CC1(C)CC(NC(=O)N2CCC(C#N)CC2)CC(C)(C)C1 540767280 HRKWKICDIPFOPQ-UHFFFAOYSA-N 291.439 3.536 30 20 CHED CCCCCN(C(=O)NCCCC#N)[C@H](C)CCC 541519362 LUNFTXHFZDAOKJ-CQSZACIVSA-N 267.417 3.681 30 20 CHED CCOC1CC2(CCN(CCCCC(C)(C)C#N)C2)C1 375741107 CGRJPZRXVHMKQJ-UHFFFAOYSA-N 278.440 3.597 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(C(=O)CC(C)(C)C#N)C1 286427867 RPUWCMCNQGVPEC-DZGCQCFKSA-N 270.376 3.536 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(F)c(C#N)c1)[C@@H](C)CC 284234070 OPCNVRHEAAPYKO-RYUDHWBXSA-N 276.355 3.737 30 20 CHED C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)[C@H]1CCOC1 280897897 CFFQYRIFSUBJKO-SHYRNMSTSA-N 288.174 3.543 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2ccn(CCC)c2c1 465260920 YWRQRUDDIDYAPH-GFCCVEGCSA-N 271.364 3.747 30 20 CHED CC#CCCCC(=O)N1CCC[C@@]1(CCC)C(F)(F)F 466873156 HBBBTLUCYAOCDX-AWEZNQCLSA-N 289.341 3.904 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@H](C)CC 460768131 DNSXYVJXMLPHBI-QWHCGFSZSA-N 264.417 3.602 30 20 CHED N#CCc1ccc(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1 289536971 PAHMUMRBTFGOPJ-MRXNPFEDSA-N 295.386 3.549 30 20 CHED C#CCCCCC(=O)N(CCCC)Cc1ccccc1O 282526142 QALHPFFVBCQNQH-UHFFFAOYSA-N 287.403 3.715 30 20 CHED C[C@@H]1CC(CCN[C@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 555235059 XFLNGQKCPQFHLN-RBSFLKMASA-N 286.419 3.803 30 20 CHED CC(C)(C#N)CCNc1c(F)cccc1N1CCCC1 288670508 HPFSFKRSDSCBOP-UHFFFAOYSA-N 275.371 3.778 30 20 CHED N#Cc1ccc(Sc2c(F)cccc2[N+](=O)[O-])cc1 553304320 PHGCEOYZXNBXJW-UHFFFAOYSA-N 274.276 3.757 30 20 CHED C=CCC(C)(C)CNCc1ccc(OCC)c(F)c1 550225755 OYNMTJBWYIKLBR-UHFFFAOYSA-N 265.372 3.916 30 20 CHED CC[C@H]1Cc2ccccc2CN1Cc1ccc(C#N)s1 468679958 MAUUNWHRGPIOKN-HNNXBMFYSA-N 282.412 3.957 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H](CO)C1CCCC1 386161491 WJUJUYONEKBSOQ-CQSZACIVSA-N 298.308 3.540 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCSc2ccccc2)C1 463294578 ULWMFGHTFZIGJV-HUUCEWRRSA-N 274.433 3.841 30 20 CHED C=CCC(F)(F)c1nc(Cc2cccc(Cl)c2)no1 550945572 UCDNUJTTYDBROU-UHFFFAOYSA-N 284.693 3.982 30 20 CHED CCc1ccccc1NCCCC1(C#N)CCOCC1 281244906 PWARRFBQAJRLBJ-UHFFFAOYSA-N 272.392 3.761 30 20 CHED CC1(C)CCCc2cc(C#N)c(N[C@H]3C[C@@H]3C(F)F)nc21 553707550 FGSQJVMWRSQGDW-RYUDHWBXSA-N 291.345 3.633 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N(C)[C@@H](C)CC#N 280766645 NXNLEZYZYBCVJJ-ZDUSSCGKSA-N 287.407 3.886 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NC1CCC(CCC)CC1 473690974 MADKWKWWRSTDNL-DQPZFDDXSA-N 281.440 3.690 30 20 CHED C=CCn1cccc1-c1nc(Cc2ccccc2C)no1 559968150 WUJIMSHDJCCVHJ-UHFFFAOYSA-N 279.343 3.623 30 20 CHED C=CCCCCCCNC(=S)NCc1cccs1 806586441 PKRSRSWDDXSLFI-UHFFFAOYSA-N 282.478 3.849 30 20 CHED CC(C)c1ccc2occ(C(=O)N(C)[C@H](C)C#N)c2c1 297900388 QEXCTUOLKITGNC-LLVKDONJSA-N 270.332 3.540 30 20 CHED Cc1ccc(CN(C)CC(C)(C)C#N)cc1Cl 552085152 RJZHBPNOGNYVTJ-UHFFFAOYSA-N 250.773 3.630 30 20 CHED Cc1cc(OC(=O)c2ncoc2C(C)C)c(C)c(C)c1C#N 809033804 HJWVLUYYXIOIGG-UHFFFAOYSA-N 298.342 3.814 30 20 CHED C#C[C@H](NC(=O)Cc1cccc(Cl)c1Cl)C(C)(C)C 807878589 WCRMLJUQPWFGTK-LBPRGKRZSA-N 298.213 3.700 30 20 CHED C=CC(C)(C)C(=O)NCCc1ccc(C(F)(F)F)cc1 648084562 ITXGUNCOSSWLLX-UHFFFAOYSA-N 285.309 3.576 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 470647391 VNPJWCVPFKOLLW-UHFFFAOYSA-N 297.373 3.973 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)[C@@]1(C#N)CC12CCCC2 297624563 HOWXDAGWOBEWLR-LIRRHRJNSA-N 294.398 3.606 30 20 CHED N#Cc1c(F)cccc1[S@@](=O)CCCC1CCCC1 566489028 SGVKTZIARSIIOU-IBGZPJMESA-N 279.380 3.775 30 20 CHED Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(C)c1 567088737 VYXREHAZMMFQQM-LJQANCHMSA-N 276.383 3.952 30 20 CHED C=C(C)COc1cccc(N[C@@H](C)[C@H]2CCCOC2)c1 474383738 FCMQNDJZCDGOBN-GJZGRUSLSA-N 275.392 3.869 30 20 CHED C=CCCCOc1cc(F)ccc1-c1ccnn1C 478876737 SBENEHWHORGFJY-UHFFFAOYSA-N 260.312 3.571 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)c1c(F)cc(C#N)cc1F 295544317 GSIGIQLSWOFEBV-NSHDSACASA-N 292.329 3.701 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccncc1C 294695960 DWMPQQCITKMPIA-UHFFFAOYSA-N 282.387 3.587 30 20 CHED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CCCC#N 291797785 MZJAMIJTNIVCPB-AWEZNQCLSA-N 270.376 3.508 30 20 CHED CSc1ccc([C@@H](C)N=c2cc(C)[nH]c(C#N)c2)cc1 561319053 AARWLHNHDWIQPN-GFCCVEGCSA-N 283.400 3.579 30 20 CHED C[C@@H](CCC#N)N1CCCn2c(cc3ccccc32)C1 298528371 MAGJBWUIFMCABK-AWEZNQCLSA-N 267.376 3.539 30 20 CHED C=CCOCCCN1CCc2sccc2[C@@H]1CC 470718812 XWCHMZCOJDOPDG-AWEZNQCLSA-N 265.422 3.650 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC(Cc2cccc(C)c2)C1 644670439 RPTYEGCNSRULIG-UHFFFAOYSA-N 271.404 3.598 30 20 CHED Cc1ccsc1-c1noc(Cc2c(F)cccc2C#N)n1 569705738 ZIYWXQMEWKFTGH-UHFFFAOYSA-N 299.330 3.708 30 20 CHED C#CC[C@H](NC(=O)N[C@@H](C)c1ccsc1)c1ccccc1 801045418 ZDUIJSKCADJYHR-BBRMVZONSA-N 298.411 3.873 30 20 CHED Cc1ccc2ncc(C#N)c(OCC[C@H](C)F)c2c1 488277611 HPQOQUITFXSCLY-NSHDSACASA-N 258.296 3.542 30 20 CHED C=C(C)[C@H](N[C@H](COC)C(C)C)c1ccc(F)c(F)c1 480664552 DQZWJXZMPYZMJE-CVEARBPZSA-N 283.362 3.843 30 20 CHED CN(CCCSCC1(C#N)CCC1)c1ccccc1 567471674 WTPPGYKUUADDCJ-UHFFFAOYSA-N 274.433 3.940 30 20 CHED C#Cc1ccccc1CC(=O)OCc1cc(C)sc1C 810555077 WRISTTLICSONNE-UHFFFAOYSA-N 284.380 3.632 30 20 CHED Fc1cc(C=NOC/C=C\Cl)ccc1OC(F)F 811668796 TYEUWXHFNIOWIH-SUVSOHSISA-N 279.645 3.530 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NOC1CCC1 814936902 NRSCZRPYWKHCAG-RHSMWYFYSA-N 273.376 3.894 30 20 CHED Cc1cc(C#N)cnc1C(=O)Oc1cccc(C(C)(C)C)c1 815902760 QCHOLFIBQXEKPY-UHFFFAOYSA-N 294.354 3.778 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cc(COC)cs1 658209699 RDUUZEINPHFKET-VXGBXAGGSA-N 253.411 3.585 30 20 CHED C[C@@H]1SCCC1=NNc1ccc(Cl)cc1[N+](=O)[O-] 814809775 MQHRTGQWSFDSPA-ZETCQYMHSA-N 285.756 3.542 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccnc(Cl)c1C 810288023 ZFFJIEPIDDQKGQ-JTQLQIEISA-N 281.787 3.910 30 20 CHED CC(C)(C#N)CC(=O)OCc1cc(Cl)cc(Cl)c1 811197170 OMMLJOPXPONXPB-UHFFFAOYSA-N 286.158 3.976 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cccc(C(=O)O)c1Cl 814917925 WDBFIFWGIRDJQE-GFCCVEGCSA-N 294.782 3.540 30 20 CHED CC(C)(C)OC(=O)N[C@@H](C=NOC1CCC1)CC1CCC1 814936440 RSWIMYBGHRURPQ-CYBMUJFWSA-N 296.411 3.625 30 20 CHED CC(C)C[C@H]1CCCC(=NNC[C@@H]2CCSC2)C1 811660216 JERFUQIKTYESFH-KGLIPLIRSA-N 268.470 3.921 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)c(F)c1 574258264 XMPVVZBKWZWVAO-SNVBAGLBSA-N 266.747 3.824 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H](C)c1ccccc1 812396733 YCIOFTNFKIQKAL-RNEAKCBISA-N 269.344 3.623 30 20 CHED N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)C2CC2)s1 573706436 WKJDGTLBKDNSGI-HNNXBMFYSA-N 296.395 3.543 30 20 CHED O=C(/C=C/c1cc(O)cc(C(F)(F)F)c1)c1ccncc1 811684822 DEJJPTKWTARDGZ-OWOJBTEDSA-N 293.244 3.702 30 20 CHED N#Cc1cc(N[C@H](CO)CC2CCC2)ccc1C(F)(F)F 480841104 ASZYGXPREFTCGV-ZDUSSCGKSA-N 298.308 3.540 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2cccc(C#N)c2)CS1 488299450 NPNIQVKVDZTJTJ-ZIAGYGMSSA-N 260.406 3.890 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OCC(F)F)cc1 483557523 WRMNEJBALRPHKB-UHFFFAOYSA-N 298.333 3.760 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1ccc(N)nc1 814811726 RNBREZVUWMMCJL-CYBMUJFWSA-N 296.418 3.862 30 20 CHED Cc1ccc(C[C@H]2CCCN(c3cc(C#N)ccn3)C2)cc1 577086176 KWUWMDZPYWFSBE-GOSISDBHSA-N 291.398 3.721 30 20 CHED Cl/C=C\CON=CCCCCOc1ccccc1 811671524 HAYBPMNJMSAUCY-CCGUKCLOSA-N 267.756 3.991 30 20 CHED CN(CC#Cc1ccc(F)cc1)[C@@H]1CCC(C)(C)C1 483110539 NTFJIUMLVCLXOZ-MRXNPFEDSA-N 259.368 3.688 30 20 CHED CCc1c(C)sc(NC(=O)C=C2CCCC2)c1C#N 727790340 CNETVUJWJZFYMJ-UHFFFAOYSA-N 274.389 3.930 30 20 CHED CC#CCN(C)C(=O)c1sccc1-c1ccccc1 573756408 AJYBHSCHPQNIFU-UHFFFAOYSA-N 269.369 3.510 30 20 CHED CCOC(=O)c1ccc(NN=CCC(F)(F)F)cc1C 817328788 NULALGMITKZXRS-UHFFFAOYSA-N 288.269 3.522 30 20 CHED N#CCC[C@@H](C#N)CNc1ccc(Oc2cccnc2)cc1 573523771 KDGHYULHAVBOSA-AWEZNQCLSA-N 292.342 3.729 30 20 CHED C[C@H](c1ccccc1)N(CCOCCC#N)C1CCCC1 823109812 DSKXXWUAPNDTBB-MRXNPFEDSA-N 286.419 3.922 30 20 CHED C=CCCCCN[C@@H](C(C)C)[C@@H](O)c1ccccc1 829634931 OOEYMAHHXMUZLR-IRXDYDNUSA-N 261.409 3.691 30 20 CHED CN(CC(C)(C)C#N)C(=O)CC1CCC(C)(C)CC1 497363845 HWCKTGLIICLESU-UHFFFAOYSA-N 264.413 3.601 30 20 CHED C=CCN(C)C(=O)Nc1cc(C)ccc1C(F)(F)F 667940480 DUEUNRPRLQKNTQ-UHFFFAOYSA-N 272.270 3.664 30 20 CHED C=C(C)C(C)(C)C(=O)OCC[C@]1(C)C[C@]1(F)Cl 822031128 DNWQKNLWXHWCSR-CHWSQXEVSA-N 262.752 3.837 30 20 CHED C=CCCNC(=O)N(C)[C@H](C)c1ccccc1Cl 661572556 RRBZJOQECBBQDY-LLVKDONJSA-N 266.772 3.619 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H](C)CC)c1ccc(Cl)cc1F 820738172 UAUULDOGJUIAQW-QMTHXVAHSA-N 296.773 3.593 30 20 CHED CCCc1nc(C)c(NC(=O)CCCCCC#N)s1 588691195 VVAJQZRNZGFDPT-UHFFFAOYSA-N 279.409 3.817 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(F)ccc1Cl 490058884 LQJLKRKCNLUDAJ-UHFFFAOYSA-N 269.747 3.811 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccccc1CC(C)(C)C 904520152 FZAAUYVTLZZBNP-HNNXBMFYSA-N 272.392 3.553 30 20 CHED N#CCCCCCC(=O)N1CCc2cccc(Cl)c21 588880639 RNLSYFPYNMUPGY-UHFFFAOYSA-N 276.767 3.703 30 20 CHED C#C[C@@H](NC(=O)N(C(C)C)C1CC1)c1ccc(Cl)cc1 820565351 MOQXWUVORAXNJI-OAHLLOKOSA-N 290.794 3.597 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)C#Cc2cccs2)c(C)c1 824683398 HRTBZTUDIZWBRK-HNNXBMFYSA-N 297.423 3.936 30 20 CHED CS[C@@H]1CCCC(=NNc2ccc(F)c([N+](=O)[O-])c2)C1 901221035 UQJVRLBUWGWAFL-LLVKDONJSA-N 297.355 3.807 30 20 CHED C=CCC[C@@H](C(=O)O[C@@H](C)C(=O)CC)c1ccccc1 837652316 BYDJVRVMFNHIQQ-DZGCQCFKSA-N 274.360 3.647 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 491440723 QZTPKWJQWYQKAX-LLVKDONJSA-N 298.308 3.667 30 20 CHED CC(=NNc1c(F)cccc1F)c1csc(C)n1 735614812 CAYLUHWHYNXJKV-UHFFFAOYSA-N 267.304 3.566 30 20 CHED C#Cc1cccc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)c1 834902003 CSDYHVRAFMNLCK-GOSISDBHSA-N 293.414 3.802 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(-c2nccs2)cc1)C(C)C 836223523 CBRGZUJXPCEITG-AWEZNQCLSA-N 299.399 3.589 30 20 CHED Cn1ncc(/C=C2/CCCc3ccccc3C2=O)c1Cl 834398156 BKTZGHIKGSFPPO-XFXZXTDPSA-N 286.762 3.676 30 20 CHED C=C[C@](C)(CC)C(=O)OC[C@@]1(C)CC1(Cl)Cl 837658944 RCXVRULJBNXBCP-GHMZBOCLSA-N 265.180 3.716 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)c1cnccc1C)c1ccccc1 678423478 LCWSTWPTTQZGLE-JKSUJKDBSA-N 294.398 3.927 30 20 CHED C=CCOc1cccc(NC(=O)NC(C)(C)C(C)C)c1 583957035 HLFKORZRBGRONH-UHFFFAOYSA-N 276.380 3.808 30 20 CHED C=CCC[C@@H](NCc1nc(C)c(C)[nH]1)c1ccccc1 581836048 RPTGMJXUYZXVKQ-MRXNPFEDSA-N 269.392 3.824 30 20 CHED CCCC1(CNC(=O)CCCCCC#N)CCC1 588161485 NMNODURRTSZZBB-UHFFFAOYSA-N 250.386 3.547 30 20 CHED C[C@H](OC(=O)[C@@]1(C)CC=CCC1)c1ccc(C#N)cc1 835205536 YJPOGLHXLNNJDQ-GUYCJALGSA-N 269.344 3.909 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1ccc(N)cc1C 835020157 JCYZRCRNYHXFLW-GOSISDBHSA-N 297.377 3.717 30 20 CHED C=C(Cl)CNC(=O)c1ccsc1-n1c(C)ccc1C 736240737 QMWSDFZZOYAYMW-UHFFFAOYSA-N 294.807 3.638 30 20 CHED C=CC[C@@H](C)NCc1sc2nc(C)nc(C)c2c1C 735086635 QLXWNFPRDOAHQM-SECBINFHSA-N 275.421 3.671 30 20 CHED C#CCCCCCC(=O)O[C@@H](C)c1ccc(C(=O)O)cc1 833362108 ZMMNHALBYZQOTE-ZDUSSCGKSA-N 288.343 3.573 30 20 CHED C/C=C/C=C/C(=O)Nc1scc(C(C)(C)C)c1C#N 839370085 SHBSEBMJQXAQQS-BSWSSELBSA-N 274.389 3.988 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839052615 HKEONRDQQZPTAD-LZWOXQAQSA-N 293.407 3.740 30 20 CHED C#CCOc1ccccc1OCc1ccc(SC)cc1 730566949 POBNVWMRCUCHHO-UHFFFAOYSA-N 284.380 4.000 30 20 CHED CC(C(=O)Nc1cc(C#N)ccc1NC1CC1)=C1CCC1 831651146 ZTFFOCSJJXZQGC-UHFFFAOYSA-N 281.359 3.571 30 20 CHED C#Cc1cccc(CNC(=O)N(C)C2CCCCCC2)c1 838722342 CMNHPYPPZVAIHC-UHFFFAOYSA-N 284.403 3.532 30 20 CHED CCS[C@H]1CCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 597342853 HNSVLZXAPJMUMW-KBPBESRZSA-N 294.464 3.641 30 20 CHED CCC(=NNc1nccc2sccc12)[C@@H]1CCOC1 741839335 DTUSXOFDXWOCRR-SNVBAGLBSA-N 275.377 3.511 30 20 CHED C[C@@H](CN(C)C[C@@H](C#N)CCC#N)C1CCCCC1 599632753 CJQLCVCHROCXEB-LSDHHAIUSA-N 261.413 3.578 30 20 CHED COc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1C#N 742367278 PIIKPUMMMJPPQY-BLLLJJGKSA-N 296.370 3.573 30 20 CHED C[C@H](CN=c1ccc2cc(C#N)ccc2[nH]1)CC(F)(F)F 591193757 VVCPXIWBLFPBCF-JTQLQIEISA-N 293.292 3.529 30 20 CHED S=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)Nc1ccccc1 915923471 DYIQZKMWVUJRIE-BEAPCOKYSA-N 299.443 3.785 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 594096865 CPWCBUPLBSUTSA-UWUYSDQOSA-N 288.435 3.744 30 20 CHED CC(C)(C#N)C[C@H](O)CNc1cccc(C2CCC2)c1 598728358 BFUBCAIZGPAEMO-INIZCTEOSA-N 272.392 3.667 30 20 CHED COc1ccccc1C=NNc1ccc(Cl)cc1 916246874 MXFGSMJXCWDALU-UHFFFAOYSA-N 260.724 3.795 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(OC)c(C#N)c1 743450389 JYNDWKOFMSGFLV-CQSZACIVSA-N 287.407 3.849 30 20 CHED CCN(CCSc1cccc(Cl)c1)[C@@H](C)C#N 595819625 SUGQJDPHPLHJSU-NSHDSACASA-N 268.813 3.666 30 20 CHED C=CCOc1ccc(C(=O)OCc2ccsc2)cc1 744234581 ZUCRMTZGMXKOMB-UHFFFAOYSA-N 274.341 3.670 30 20 CHED CCCc1ccc(CCCC(=O)N[C@@](C)(C#N)CC)cc1 592609186 HGSKFVPFVOJNLD-GOSISDBHSA-N 286.419 3.770 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1cccc(O)c1)c1ccccc1 677568762 YSXRGTMZTJXXMK-INIZCTEOSA-N 295.382 3.711 30 20 CHED Cc1cc(F)c(C=NN[C@H](C)C(F)(F)F)c(Cl)c1 841641268 WCTMVKBRWOTMCJ-SSDOTTSWSA-N 282.668 3.662 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)C1[C@@H]3CCCCCC[C@@H]13)CC2 597444413 HYZHEYBGAFWXGH-HZPDHXFCSA-N 294.398 3.664 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 844475079 TXLHLYAIALKNLY-LJISPDSOSA-N 296.370 3.518 30 20 CHED Fc1ccc(NN=Cc2csc(-c3ccccn3)n2)cc1 915934399 BBCZJVRMYPBXNJ-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C=CCCSCCNC(=O)[C@@H](C)c1ccc(Cl)cc1 597976225 UHKXDAOLGFYZLA-LBPRGKRZSA-N 297.851 3.869 30 20 CHED CN(CCC(C)(C)C)C(=O)c1ccc(Cl)c(C#N)c1 592684264 MGPSNOQGJWZUOM-UHFFFAOYSA-N 278.783 3.720 30 20 CHED COc1ccc(NC(=S)NN=C2CCC[C@@H](C)C2)cc1 915925173 JIDIQROYKRVLLF-LLVKDONJSA-N 291.420 3.548 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N2CCC(CCC#N)CC2)C[C@H]1C 592817785 OFEDABKPVTUPCP-IIAWOOMASA-N 276.424 3.601 30 20 CHED CO[C@]1(C)CC(=NNc2cc(F)c(F)cc2F)C1(C)C 746577020 SXASNEXUEBPQMQ-CQSZACIVSA-N 286.297 3.707 30 20 CHED C=C1CCN(C(=O)c2ccccc2Oc2cccnc2)CC1 594846153 AXBLWUGQODZNLR-UHFFFAOYSA-N 294.354 3.666 30 20 CHED Cc1ccc(NN=Cc2csc(-c3ccccn3)n2)cc1 915935285 BWDJNAUYJONCEI-UHFFFAOYSA-N 294.383 3.960 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 743620315 HXDWVYDMSRXCBW-HNNXBMFYSA-N 294.826 3.710 30 20 CHED Cn1c(NN=CC2CCCCCC2)nnc1-c1ccccc1 741839655 MCLIGJPNILRHIO-UHFFFAOYSA-N 297.406 3.850 30 20 CHED CC1(C#N)CCN(CC[C@H]2CCc3ccccc32)CC1 595431027 WRWKSVYHGLGWEI-MRXNPFEDSA-N 268.404 3.732 30 20 CHED CC1(C)C[C@H](C/N=C/c2cc3ccccc3nc2O)CCO1 840709568 JYOSCYZZVKYZSJ-KZKLBEMASA-N 298.386 3.565 30 20 CHED CSc1cc(Cl)ccc1NC(=O)N(C)C[C@H](C)C#N 596977491 MEDKTKHYUCHBKD-SECBINFHSA-N 297.811 3.685 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(NCC2(CC#N)CC2)c1 594703657 RRRXZQNPGSCJDL-UHFFFAOYSA-N 280.375 3.595 30 20 CHED Cc1ccc(CC(=NNc2ccc(C)nn2)C(C)C)cc1 741464849 WEEGBTAFWOAZGS-UHFFFAOYSA-N 282.391 3.760 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)cc(C)c1O 742437365 UBSCEDOZYSNJMC-ZZXKWVIFSA-N 294.350 3.935 30 20 CHED C=C(C)CNC(=N)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 849063626 NRVTUOLIYHYYQC-KBPBESRZSA-N 265.445 3.529 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cc(-c2ccccc2)no1 926873714 IPNJRVIEGGDYAZ-GFCCVEGCSA-N 269.348 3.542 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H]1CCC[C@H](C)C1 741519989 CKMJOLISMJBDTC-JSGCOSHPSA-N 287.359 3.689 30 20 CHED C=C[C@H](OC(=O)c1cnc2n1[C@@H](C)CCC2)C(C)(C)C 845554024 CWXBIIZSFQHNPK-AAEUAGOBSA-N 276.380 3.538 30 20 CHED CC1(C)C(=NNc2ccc3ccccc3n2)[C@@H]2CCCO[C@@H]21 743420952 LNOQWGOQIVTDDS-GUYCJALGSA-N 295.386 3.838 30 20 CHED Cn1cccc1C(=O)CON=Cc1ccc(C(C)(C)C)cc1 849385091 YZMFLFPZSBIDTM-UHFFFAOYSA-N 298.386 3.556 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc2oc(C(C)C)nc2c1 844540832 KLNPKAYHNVJFGO-SNVBAGLBSA-N 289.335 3.579 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)Cc1ccccc1F 920172871 LTTXQWRXSAHRDL-ZGXHQARYSA-N 287.334 3.590 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 757598117 OJCCIPDUYDMMDL-GFCCVEGCSA-N 289.787 3.896 30 20 CHED C#CC[C@H](NC(=O)c1ccc(C)c(C)c1)c1ccccc1 757575225 BGOWTTBNLVZRNJ-SFHVURJKSA-N 277.367 3.798 30 20 CHED C#CC[C@@H](OC(=O)c1ccsc1Cl)C(C)C 853108360 FSJFZNYWZFMWNG-SNVBAGLBSA-N 256.754 3.606 30 20 CHED C=CCOCCNC[C@H](C)c1ccc(C(F)(F)F)cc1 685426920 RVQGXCGQIZHGMH-LBPRGKRZSA-N 287.325 3.601 30 20 CHED Fc1cc(F)cc(NN=Cc2c(F)cccc2F)c1 920376765 RKIULAAPHJIXJF-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)c1ccc(C)s1)OCC 755630230 ABRCTKWRHPSYSN-CHWSQXEVSA-N 281.421 3.605 30 20 CHED C#CCCCCNC(=O)N[C@H](CC(C)C)c1ccccc1 758680242 NDXJQGXZYSFBDM-QGZVFWFLSA-N 286.419 3.877 30 20 CHED CCOc1cc(C=NN[C@H](C)c2ccccc2)ccc1OC 920386041 ONZYPFFVOUCJMT-CQSZACIVSA-N 298.386 3.779 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(O[C@H]2CCOC2)cc1 925879070 TYSZIZUYAKLBFS-CJNGLKHVSA-N 288.391 3.595 30 20 CHED CCCCCC[C@H](C)NN=Cc1c(C2CC2)cnn1C 853313146 KGUPIBQBJGMVQC-ZDUSSCGKSA-N 276.428 3.580 30 20 CHED C/C=C(\C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 751377160 BIMFBNXADFVRDS-KXCGHJCSSA-N 270.376 3.631 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CCc2cc(F)ccc21 920177297 FVVLFNLZTYZNLG-GDXCHIGESA-N 285.318 3.646 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(F)cc2F)c1C 750914191 SZQUZTQKLICMGV-VURMDHGXSA-N 290.313 3.694 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccc([N+](=O)[O-])c1C 759011988 UBIGIENUVWAUMV-UHFFFAOYSA-N 289.331 3.715 30 20 CHED N#Cc1cccc(CSCCC2SCCS2)c1 853797211 LJQDTBNKWKQLHV-UHFFFAOYSA-N 281.471 3.988 30 20 CHED COc1ccc(NN=Cc2ccc(F)c3cccnc23)cc1 750923103 CSRPOHAZYABLAW-UHFFFAOYSA-N 295.317 3.829 30 20 CHED CCCCCCCCNC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 857859673 GOZKYEDCTIAZRB-HIFRSBDPSA-N 291.439 3.552 30 20 CHED CCCCNN=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] 753696653 JIQZQVWMVBLSGN-ZDUSSCGKSA-N 289.379 3.683 30 20 CHED Cc1cccc2[nH]cc(CC(=O)O[C@@H](C)CC(C)(C)C#N)c12 851209350 FBBUGJOIXAHZDL-ZDUSSCGKSA-N 298.386 3.890 30 20 CHED C=CCN(C(=O)C(F)(F)c1cccc(Cl)c1)C1CC1 754417424 IOLRGFHLHRLBLC-UHFFFAOYSA-N 285.721 3.609 30 20 CHED Cc1ncccc1CN1CCC(c2ccc(C#N)cc2)CC1 933607918 UBKDCSGUBXFBHW-UHFFFAOYSA-N 291.398 3.641 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(CC)C[C@@H](C)C#N)cc1 755186684 YATHAXDRYIZHKV-UONOGXRCSA-N 272.392 3.822 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cccc(C#N)c1 750938641 KQXSYUMIUXLBEW-UHFFFAOYSA-N 267.307 3.842 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1coc(-c2ccccc2)n1 933471290 JPXOGSZJBFGKJC-ZDUSSCGKSA-N 284.359 3.560 30 20 CHED CC(=NNc1cccc(C)n1)[C@@H](C)c1ccccc1 863160144 SDCTZRZLYGSIOT-CYBMUJFWSA-N 253.349 3.982 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@@H](C)c1nc2ccccc2o1 934000060 JLLKVGXYBRQPKY-OLZOCXBDSA-N 286.375 3.650 30 20 CHED C#CCCCOc1ccc(C(=O)c2ccc(F)cc2)cc1 766285187 QYTLRNPXAPAKPQ-UHFFFAOYSA-N 282.314 3.849 30 20 CHED C=C[C@@H](C)ON=C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 863123341 FVMXYCLULJPAFJ-CJNGLKHVSA-N 296.411 3.601 30 20 CHED C(=NNCc1cnc2ccccc2c1)[C@@H]1C[C@H]2CC[C@H]1C2 762433321 DDYCTFVJRIQSBX-QRTARXTBSA-N 279.387 3.746 30 20 CHED C=CCN(Cc1ccc(OC)c(OC)c1Cl)C(C)C 768552585 WSYAJJITCHKLFC-UHFFFAOYSA-N 283.799 3.754 30 20 CHED CC[C@H](C(=O)OCCCC#N)C1CCC(C)CC1 764628848 MZCUESCNEBSLMH-RUXDESIVSA-N 251.370 3.686 30 20 CHED FC(F)(F)CON=C(CC1CC1)c1ccccc1 764841474 TURYCHZEIYBOKV-UHFFFAOYSA-N 257.255 3.770 30 20 CHED C=CC[C@H]1N(C(=O)/C=C\c2cccc(O)c2)CCCC1(C)C 769644122 RSASWXAOGKOSSX-QXPKXGMISA-N 299.414 3.999 30 20 CHED CC#CC(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 764472388 KBNYJNXSOALAOR-CQSZACIVSA-N 279.339 3.679 30 20 CHED CC(CC(C)(C)C)=NNc1ccc(C(C)(C)C)nn1 1117830989 JFZMMHUQKZYUEW-UHFFFAOYSA-N 262.401 3.998 30 20 CHED C=CC[C@@H](NC(=O)N1CC2(CCCCC2)C1)c1ccncc1 760994002 LIDNNXDGTJVIDH-MRXNPFEDSA-N 299.418 3.675 30 20 CHED COc1cc(C)ccc1C(C)=NNc1cccc(C(=O)O)c1 767031381 XAJPJKYSLVRTJB-UHFFFAOYSA-N 298.342 3.538 30 20 CHED CC#CCCOC(=O)c1cc(Cl)ccc1OC(F)F 760284021 LTVAQMHTNPUORS-UHFFFAOYSA-N 288.677 3.512 30 20 CHED C#CCCCCCCNC[C@@H](C)c1nc(C)cs1 877332666 FZPDXPBXUBGFSE-CYBMUJFWSA-N 264.438 3.728 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1ccc(O)c(Cl)c1 768759186 XWDUGNZJKFLDES-FNORWQNLSA-N 298.729 3.589 30 20 CHED CC(C)(C#N)OC(=O)/C=C/c1ccccc1C(F)(F)F 870241352 QZUAUPJHDYAZKM-BQYQJAHWSA-N 283.249 3.564 30 20 CHED COc1ccc(C=NOC(C)(C)C)c(Br)c1 1117102842 MOAGJGRXTDPCPX-UHFFFAOYSA-N 286.169 3.607 30 20 CHED CCc1ccc(CC(=O)OCc2ccc(CC#N)cc2)cc1 776213963 IPJDOVHWYOSIRR-UHFFFAOYSA-N 293.366 3.601 30 20 CHED O=C(/C=C\c1ccccc1F)c1ccc(-n2cccn2)cc1 878902432 UMSJHCFLSPYCCW-FLIBITNWSA-N 292.313 3.908 30 20 CHED C=CCN(C(=S)Nc1ccc(OC(C)C)cc1)C1CC1 771548655 NZCKDBVRGYUINO-UHFFFAOYSA-N 290.432 3.821 30 20 CHED C#CC[C@H](N[C@H](C)c1ccc(F)cn1)c1ccccc1 773114379 IZGFHHURPHFSFX-DYVFJYSZSA-N 268.335 3.636 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 778122150 OUTAKAMRPSCVKN-UHFFFAOYSA-N 282.387 3.742 30 20 CHED COc1cc(/C=C2\Cc3c(OC)cccc3C2=O)ccc1C 773142528 ANODVFGEJUJSIT-NTEUORMPSA-N 294.350 3.835 30 20 CHED CSc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)o1 776386900 XLZHDYDABHYJKP-GFCCVEGCSA-N 279.361 3.631 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H](C)c1cccc(C)c1 775241543 ZZRADTBETSCGST-AWEZNQCLSA-N 297.354 3.873 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1 1129687895 OFEFQRHMQADUSW-JYAVWHMHSA-N 270.376 3.878 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCc2cc(C)ccc21 779864218 XAPWJKUTVPPGAR-QGZVFWFLSA-N 269.388 3.682 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1c(Br)cccc1C#N 1559100246 JKUSCHQNCBFSTO-SKDRFNHKSA-N 279.181 3.921 30 20 CHED C=C1CCC(C(=O)NC[C@H](C)c2nc3ccccc3o2)CC1 889326642 BDNNNWUKFNVBDW-ZDUSSCGKSA-N 298.386 3.794 30 20 CHED C[C@@H]1CCC[C@H](COC(=O)c2cc(C#N)cs2)C1 770996094 CTJGHFSOOCTAHG-MNOVXSKESA-N 263.362 3.603 30 20 CHED C#CCOc1ccc(CNc2cc(C)n([C@@H](C)CC)n2)cc1 776258705 UBHPPUPSYIMFHO-AWEZNQCLSA-N 297.402 3.787 30 20 CHED C=C[C@H](CC)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 1123073779 DNYGBQIIKDJLBP-PWSUYJOCSA-N 274.389 3.799 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc3ccccc23)n(C)n1 789159933 RSGPVMOAJBRIIE-ZHACJKMWSA-N 276.339 3.778 30 20 CHED O=C(O)c1csc(/C=C/C(=O)c2ccccc2Cl)c1 782199415 FCPWMLQOIWFBGH-AATRIKPKSA-N 292.743 3.996 30 20 CHED C=C1CCC(C(=O)N(C)[C@H](C)c2ccccc2)CC1 887738158 RALRGMBLBXGDTP-CQSZACIVSA-N 257.377 3.952 30 20 CHED C=C(CC)C(=O)Nc1cccc(NC2CCCC2)c1 1123930118 BUIOJBUSBLXKDE-UHFFFAOYSA-N 258.365 3.946 30 20 CHED N#C[C@]1(C(=O)Nc2c[nH]c3ccccc23)CC12CCCC2 888115525 WKASAOCHYHADKG-KRWDZBQOSA-N 279.343 3.580 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCCC[C@@H]2C)CCCCC1 788141867 XBYIQOPQQULKJM-LSDHHAIUSA-N 261.409 3.655 30 20 CHED C=CCN(Cc1cccs1)Cc1cn(C)nc1C1CC1 891510669 VXQPNWNRZIOKMQ-UHFFFAOYSA-N 287.432 3.547 30 20 CHED C/C=C(/CC)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 788788816 KFLHUYYKEOGUEX-ZWSORDCHSA-N 284.403 3.899 30 20 CHED N#CC1(COC(=O)c2csc3c2CCCC3)CCCC1 780540358 BAQILRAWTNQEBB-UHFFFAOYSA-N 289.400 3.868 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc3cnccc3c2)c1 785483997 SETVFJRGQYJSBO-UHFFFAOYSA-N 291.329 3.535 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cc(C)cc(OC)c2)no1 897057353 ZPVLZTRVTMDDAP-GFCCVEGCSA-N 288.347 3.707 30 20 CHED C[C@@H]1CC[C@H](C(=O)OCc2ccc(Cl)cc2C#N)C1 780038437 KDFASPHHIACAPM-MNOVXSKESA-N 277.751 3.691 30 20 CHED CCCCCCC[S@](=O)c1c(OC)cccc1OC 788293872 YSLLPJRZWJXOBJ-IBGZPJMESA-N 284.421 3.782 30 20 CHED CC1(C)C[C@@H](NN=C(CC2CC2)c2ccccc2)CCO1 780246161 DLMYPLQOPCZLNR-INIZCTEOSA-N 286.419 3.738 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cc(C(=O)O)cs1 782201584 VLUNYYZQWKKEQJ-SREVYHEPSA-N 272.325 3.651 30 20 CHED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1O 787025534 HBPUPMLMLIPELW-ZWKOTPCHSA-N 292.382 3.992 30 20 CHED COc1ncc(C(=O)/C=C/c2cccs2)cc1Cl 789155791 FHYZTQNGJHMUPJ-SNAWJCMRSA-N 279.748 3.701 30 20 CHED CCc1cnc(CNc2ccccc2O[C@@H](C)C#N)s1 784609124 ACZJJXTXVBHDEA-NSHDSACASA-N 287.388 3.608 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](C)C3(CCC3)C2)CC1 897296347 DOQZNXNEJMZYGF-AWEZNQCLSA-N 261.409 3.772 30 20 CHED C=CC[C@H](C)NCc1cc(Br)cs1 116926490 DMVHKJWMJXPYGD-QMMMGPOBSA-N 260.200 3.565 30 20 CHED COC(=O)C(C)(C)CC/N=C\c1c(O)ccc2ccccc12 794680559 PGYNZEFSAQOKOS-UNOMPAQXSA-N 299.370 3.554 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1cccc(Cl)n1 793181676 XHWWWIPJPWJOMK-UHFFFAOYSA-N 289.766 3.861 30 20 CHED CC(C)[C@H](Nc1ccc(C#N)c(Cl)c1)c1cnn(C)c1 896427059 FJQKDRMLFQUVBL-HNNXBMFYSA-N 288.782 3.754 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H](C)c1cc(C)c(C(=O)OC)o1 796454964 JCKKRZDHYAHNHM-NSHDSACASA-N 294.347 3.581 30 20 CHED CCOc1ccc(COC(=O)c2cccc(C#N)c2)c(C)c1 1130650037 NFNQBSPVMRQTBN-UHFFFAOYSA-N 295.338 3.622 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2C)ccc1C#N 799494199 CFEVKNSCZZHOAP-CSKARUKUSA-N 277.323 3.771 30 20 CHED CC(Cc1ccsc1)=NNCc1ccccc1N(C)C 794950173 YBLWAFKFQKUPCC-UHFFFAOYSA-N 287.432 3.522 30 20 CHED CCCC(CCc1ccccc1)=NNc1ncncc1F 793199981 ZUVNDMQALGIRNR-UHFFFAOYSA-N 286.354 3.817 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1cc2ccccc2o1 791040894 ATYAYWVPCIEGII-JSGCOSHPSA-N 284.359 3.595 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 792951521 HFENIHWUWMOZME-AWEZNQCLSA-N 292.810 3.555 30 20 CHED O=C(/C=C/c1c(F)ccc(O)c1F)c1ccc(F)c(F)c1 794934280 QDFBRCCELHDUGH-GORDUTHDSA-N 296.219 3.845 30 20 CHED COc1ccc2cc(C=NNc3cccc(F)n3)ccc2c1 795008467 HXSCZFCUJDIKSV-UHFFFAOYSA-N 295.317 3.829 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Oc2ccccc2F)c1 794624710 FDYAXRYKOMWGAX-UHFFFAOYSA-N 275.666 3.570 30 20 CHED C#CCOc1cccc(OCc2cnc3ccccc3c2)c1 799175859 UEPACAHDXMHCKO-UHFFFAOYSA-N 289.334 3.826 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)[C@H](C)c1cccc(Cl)c1 791059970 XMMKJOSCLAKXQK-DOMZBBRYSA-N 292.810 3.844 30 20 CHED N#Cc1nccc(N2CCc3c(-c4ccccc4)cccc32)n1 1307087982 DPVNCDVQSXHJEG-UHFFFAOYSA-N 298.349 3.709 30 20 CHED CC1(CCNc2nccc(Oc3cccc(C#N)c3)n2)CC1 1307113202 XTKFNMWUBOULCC-UHFFFAOYSA-N 294.358 3.743 30 20 CHED CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(C)cc(C#N)c1 1161463769 ZIMLIESSKAHDRS-QGZVFWFLSA-N 293.370 3.696 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccn1C1CC1 1325366136 JIKSPYPELXCUIO-IBGZPJMESA-N 291.398 3.862 30 20 CHED C[C@H](C1CCCCC1)N(C)CCCSCC#N 583036837 WLYVICUITRHJMM-CYBMUJFWSA-N 254.443 3.534 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNCc1cccc(C#N)n1 1182370843 WQSOIZOVYBPUPE-LSDHHAIUSA-N 271.408 3.649 30 20 CHED N#CCN(Cc1ccc(C(F)(F)F)cc1)C1CCCC1 78003405 ZPHPYVHUHMCUIF-UHFFFAOYSA-N 282.309 3.974 30 20 CHED C=C(C)CCNC(=O)c1nc(-c2ccccc2)oc1C1CC1 1325281934 PFXDDQWCMYVNJP-UHFFFAOYSA-N 296.370 3.915 30 20 CHED CCCCCCCCN1CCC[C@H](N2CCCC2)C1 740878017 NUJQBAPBSGDNFG-KRWDZBQOSA-N 266.473 3.907 30 20 CHED C=C[C@](C)(CC)c1nnc(COc2ccccc2F)o1 1327006874 NILXKLAPHGNXIO-OAHLLOKOSA-N 276.311 3.641 30 20 CHED CCC(CC)[C@@H]1C[C@H](Nc2cccc(CC#N)n2)CCO1 1255103144 DARYJGZNKGRUKH-CVEARBPZSA-N 287.407 3.543 30 20 CHED C=C(C)CCC(=O)N(C)c1ccc(F)cc1Cl 1338963743 GWUOPWWRXIDNSB-UHFFFAOYSA-N 255.720 3.798 30 20 CHED CC(C)[C@@H]1CCCN(c2cccc(F)c2C#N)CC1 93406630 JOWGLXDQCVCABM-CYBMUJFWSA-N 260.356 3.960 30 20 CHED Cc1cccc(C)c1CN(C)Cc1cccc(C#N)c1 96811108 GFGQNEMQDQFHRS-UHFFFAOYSA-N 264.372 3.807 30 20 CHED Cc1coc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1C 1346845034 BBQPUHXSIWQVJY-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CCNc1ccc(Cl)cc1C(=O)O[C@H]1CC[C@H](C#N)C1 1342602031 RWRHAAZWHPWJDZ-JQWIXIFHSA-N 292.766 3.621 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CC/C=C/c1ccccc1 1349908147 XBJCIDMPEKPPRB-OQRGYWNNSA-N 270.376 3.631 30 20 CHED Cn1ccc(NN=C2CCCC[C@H]2C2=CCCCC2)n1 1261236544 NABMWRLYZSKUIC-AWEZNQCLSA-N 272.396 3.879 30 20 CHED CC[C@H](CC#N)OC(=O)[C@H](C)Sc1ccc(F)cc1 1344581057 WDRKVXXCEFKIIS-CMPLNLGQSA-N 281.352 3.542 30 20 CHED CC1(C)C[C@]1(C(=O)O[C@H]1CC[C@@H](C#N)C1)c1ccccc1 1342631148 AKKLWEZWJMCZNR-QIIPPGSGSA-N 283.371 3.590 30 20 CHED C[C@@H]1[C@@H](OC(=O)[C@]2(C#N)CC23CCCC3)CCC[C@H]1C 1358222736 NNXOIDGICQUOIF-XJIUQZFPSA-N 275.392 3.828 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1ccc(C#N)c(F)c1 1436590162 WJBZDCJORIGTJT-AWEZNQCLSA-N 266.291 3.554 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2cccnc2c1 1514859605 SZMJQPBJBBOUHQ-INIZCTEOSA-N 280.371 3.806 30 20 CHED C[C@@H](CN(C)c1ccncc1C#N)C1CCCCC1 1458534538 ZBGGMHZLPZXBTH-ZDUSSCGKSA-N 257.381 3.606 30 20 CHED C=C(Cl)CNCc1ccc(OCCC)cc1C 1461231340 IMBVTTGYNLQAKU-UHFFFAOYSA-N 253.773 3.626 30 20 CHED O=C(O)CCC[C@H]1CCCC(=NOCCC(F)(F)F)C1 1601980542 NWFLFWAYHRPDNZ-SNVBAGLBSA-N 295.301 3.757 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(-c3ccon3)c2)cs1 1538311727 WYMJNPLAIAUQJD-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCCSCC(=O)N(CC)c1ccc(C#N)c(Cl)c1 156550191 BVAIGOOZDPVLLG-UHFFFAOYSA-N 296.823 3.708 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2cc(C#N)ccc2F)CCC[C@H]1C 1537623223 AKRNOUDVDSTQNT-ZETOZRRWSA-N 275.323 3.679 30 20 CHED C=C(CNC(=O)N1CC(c2ccccc2)C1)c1ccccc1 1478771745 NDPORSHTHSDTFL-UHFFFAOYSA-N 292.382 3.509 30 20 CHED C=C(Br)CNCc1c(C)oc2ccccc12 155860329 HNNJBGODEJRFSO-UHFFFAOYSA-N 280.165 3.739 30 20 CHED N#CCc1cccc(NC(=O)C2(c3cccc(F)c3)CC2)c1 1545048832 UWRMQUWHLGGZLP-UHFFFAOYSA-N 294.329 3.562 30 20 CHED C[C@H]1C[C@@H](NC(=O)[C@@H](C#N)CCc2ccccc2)CC[C@H]1C 1633673658 PFBZOWPDOLJJLX-ATLSCFEFSA-N 298.430 3.700 30 20 CHED CCC1(NC(=O)Nc2ccc(F)c(C#N)c2)CCCC1 1562318527 ZKTZCLVWQVUROS-UHFFFAOYSA-N 275.327 3.542 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)C(C)(C)C#N 1586673598 ROAMCMDJCJWZIG-CQSZACIVSA-N 266.429 3.991 30 20 CHED C[C@@H](CC#N)Nc1cc(-c2cccc(Cl)c2)ncn1 1655123078 ZXYKWHXXPKBJHN-JTQLQIEISA-N 272.739 3.511 30 20 CHED COc1cc(C#N)ccc1CN(C)C1CCC(C)(C)CC1 1653566590 SUXXNTKITBQLEO-UHFFFAOYSA-N 286.419 3.967 30 20 CHED N#Cc1cncc(N[C@H]2CCCC[C@@H]2Cc2ccccc2)n1 1655098470 DVMFCOUOQJPLSA-WBVHZDCISA-N 292.386 3.562 30 20 CHED C=CCN(Cc1cccc(F)c1)Cc1cccc(C(=O)O)c1 1776181698 OBDQLTHSWNWVNL-UHFFFAOYSA-N 299.345 3.712 30 20 CHED Cc1ccc(C=NN[C@H]2CCCCC2(C)C)c(C(=O)O)c1 1776056889 WKWWHZQALDOMAL-HNNXBMFYSA-N 288.391 3.586 30 20 CHED C=C[C@H](C)ON=Cc1csc2ccc(C(=O)O)cc12 1776090275 AUOMEAUBXHDNBS-VIFPVBQESA-N 275.329 3.525 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2cc3ccccc3o2)n1 161679954 VNQAQHUDXJBDOC-UHFFFAOYSA-N 277.327 3.644 30 20 CHED CCC[C@@H](C)N(C)Cc1ccc(C#N)cc1Cl 162869120 DTZLJWRTOUBPJX-LLVKDONJSA-N 250.773 3.832 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1cccc(Cl)c1 151974866 YWPQRMBHSPCKLC-JTQLQIEISA-N 269.797 3.976 30 20 CHED N#Cc1c(F)cccc1OCc1cccc(F)c1F 155639859 FTPKBXATLICEDR-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C#CCCCCNC(=O)C[C@@H](C)c1ccc(CC)cc1 156301381 GBBRTRUFXXAKBH-OAHLLOKOSA-N 271.404 3.662 30 20 CHED CC[C@@H](SCC(=O)N(CC)CCC#N)c1ccccc1 156366611 IMRIIHVGVPQKPI-OAHLLOKOSA-N 290.432 3.633 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 155485587 BWRWHXNSXRPPAA-QGZVFWFLSA-N 278.355 3.562 30 20 CHED CC[C@@H](CC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(C)cc1 157901210 KFFRRUOLBCVXTM-YJBOKZPZSA-N 286.419 3.933 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)oc1C 154817095 RCNXHZZHLQONLW-UHFFFAOYSA-N 298.342 3.808 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2ccncc2)cc1 159967471 UPZWMHBDJRQLER-HNNXBMFYSA-N 254.358 3.617 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1ccc(F)cc1F 209971949 VYIFCQRUNQFGHU-DAXSKMNVSA-N 260.239 3.567 30 20 CHED CN(Cc1ccc2ccccc2c1)CC(C)(C)C#N 258968554 UVLNCXYNHZTQBC-UHFFFAOYSA-N 252.361 3.821 30 20 CHED C=CCN(CC(=O)Nc1ccccc1C(C)C)C(C)C 917070531 DICOVULPLDYSGJ-UHFFFAOYSA-N 274.408 3.645 30 20 CHED COCC1(CN[C@H](C)CC(C)(C)C#N)CCCCC1 926454891 FPCLPLFKBLDAGT-CQSZACIVSA-N 266.429 3.501 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2cccc(C#N)c2F)C1 223522357 HSWKHTRIRWLLHT-DOMZBBRYSA-N 260.356 3.708 30 20 CHED C[C@@H]1CC[C@H](NCc2cccc(OCC#N)c2)C[C@H]1C 251943830 WEEVIXBYFOUEKB-FMKPAKJESA-N 272.392 3.503 30 20 CHED Cc1ccc(C#N)cc1OCc1ccc(F)c(F)c1 229947936 JRIRTCVUYOAEDI-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)[C@H]1C[C@H]2CC[C@H]1C2 251515380 IVDLODNUSXZAQP-LMRQPLJMSA-N 272.367 3.612 30 20 CHED CCc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 35018857 FVZXJKVWDBNPCA-CQSZACIVSA-N 264.372 3.971 30 20 CHED CN(CCCNc1ccc(F)cc1C#N)Cc1ccccc1 301163256 BHDWZJGSPZPAED-UHFFFAOYSA-N 297.377 3.631 30 20 CHED N#Cc1ccc(CNc2cccc(Cl)c2)cc1F 190312067 GVIWZDWYMVSTMA-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CC3CCC2CC3)c1 308189518 IGRVLCDODHCXOU-LDZOIKDWSA-N 268.360 3.632 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 331982434 MOWPHCKCOHIWQG-SQWLQELKSA-N 264.413 3.647 30 20 CHED C=C(CC)CN(C)C1CCN(Cc2ccccc2)CC1 540215876 VZMGGXMMRSHNEW-UHFFFAOYSA-N 272.436 3.549 30 20 CHED N#Cc1cccc(C(=O)Nc2cc(Cl)cc(F)c2F)c1 441582789 SHCCKVCMXDUJPU-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1cccc(C#N)c1F 384013931 YJZOJKFUNXWANE-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C=CCN(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 767906712 WEWWTBBVEZVVRR-LJQANCHMSA-N 281.399 3.717 30 20 CHED N#Cc1cccc(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 610510583 GRYMIEMGFWWBJX-JQWIXIFHSA-N 283.297 3.734 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1ccccc1 6448156 MKDYVYYMZVPWJY-KBPBESRZSA-N 295.338 3.630 30 20 CHED N#Cc1cccc(CNc2ccc(Br)cc2)c1 19923030 STVILJKDLOPWTA-UHFFFAOYSA-N 287.160 3.933 30 20 CHED COc1ccc(/C=C\C(=O)c2cccs2)cc1OC 33417228 FLHBTIDYDRABCO-ALCCZGGFSA-N 274.341 3.661 30 20 CHED O=C1/C(=C/c2cccc(Cl)c2)Oc2ccccc21 35241077 CCFUFYQPADLXAW-ZROIWOOFSA-N 256.688 3.956 30 20 CHED C=CCC[C@@H](O)CN(Cc1cccc(C)c1)Cc1ccco1 36098674 VVCNENIYHQLLAJ-GOSISDBHSA-N 299.414 3.917 30 20 CHED CSc1ccc(CNc2cccc(OCC#N)c2)cc1 37069440 OUPVZZNRSQIQLO-UHFFFAOYSA-N 284.384 3.923 30 20 CHED CCC(CC)[C@@H](CN[C@@H](C)c1cccc(C#N)c1)N(C)C 37241166 JFFFSJSOEMDSNJ-KBXCAEBGSA-N 287.451 3.575 30 20 CHED N#Cc1ccc(NCCc2ccccn2)cc1C(F)(F)F 37306421 ZHZLZEROHNANGO-UHFFFAOYSA-N 291.276 3.627 30 20 CHED COc1ccccc1SCc1ccccc1C#N 41030568 NTHYRJXDKSJBDT-UHFFFAOYSA-N 255.342 3.859 30 20 CHED C[C@H](c1cccs1)N(C)Cc1ccccc1C#N 42227078 FXAPPRQHSIRCFX-GFCCVEGCSA-N 256.374 3.813 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)c2cc(C)oc2C)n1 44730845 XKXDLMBDQUIESP-LBPRGKRZSA-N 269.348 3.953 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1Cc1ccccc1 44809994 WFLFZFZKHKHJLZ-OAHLLOKOSA-N 278.355 3.766 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(C(C)=O)c1 45159217 BPXJITHOTQGYRM-UHFFFAOYSA-N 295.338 3.706 30 20 CHED CN(CCC#N)Cc1ccccc1-c1ccccc1 60356616 DQXLGZFQAYYTQN-UHFFFAOYSA-N 250.345 3.699 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccnc1Cl 60677767 HSKYBIGCOQFTQM-UHFFFAOYSA-N 292.791 3.625 30 20 CHED Cc1csc(CCNc2c(C#N)cnc3ccccc23)n1 63134430 PKNSOCZXAXHTIX-UHFFFAOYSA-N 294.383 3.526 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N(C)C3(C#N)CCC3)oc12 66321360 XRTYHYAJEJHRGA-UHFFFAOYSA-N 296.370 3.876 30 20 CHED COc1cc(C(=O)/C=C/C=C/c2ccccc2)ccc1O 67647831 VBVRCLPCVZYQPG-NXZHAISVSA-N 280.323 3.853 30 20 CHED CSCCc1ccc(NC(=O)C2(C#N)CCCC2)cc1 67856199 RQXLZOZDHZZTJB-UHFFFAOYSA-N 288.416 3.615 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(C(C)C)c1 69324094 XBQKRQLGOCIASY-ZDUSSCGKSA-N 261.365 3.730 30 20 CHED CC(C)CCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 75299304 CTIOOOXJXQLDEA-IAGOWNOFSA-N 284.403 3.721 30 20 CHED C[C@H]1CC[C@H](C)N(C(=O)c2cccc(SCC#N)c2)C1 79535296 IOXAAPAGWHNHCY-STQMWFEESA-N 288.416 3.563 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)CC2CCC2)cc1 79999587 HQTSGDUQHHGMCT-UHFFFAOYSA-N 286.375 3.522 30 20 CHED C=C(Cl)CN[C@H](C)c1ccccc1Br 88162667 CFCNDOUBXPTTFA-SECBINFHSA-N 274.589 3.852 30 20 CHED COc1ccc(Br)c(NCC2(CC#N)CC2)c1 88319669 XPMOZTFXCDAGIW-UHFFFAOYSA-N 295.180 3.563 30 20 CHED CC(C)(C)CCCNC(=O)Nc1ccc(C#N)cc1 96711523 ULNTUCCNFGKQCC-UHFFFAOYSA-N 259.353 3.506 30 20 CHED O=C1/C(=C\c2ccsc2)COc2ccc(F)cc21 109196119 HSZGIUNABDIWSX-YHYXMXQVSA-N 260.289 3.546 30 20 CHED Cc1ccc2c(c1)N(C(=O)C1(C#N)CCCCC1)CCC2 110395034 IQBWNGKGRLLAPA-UHFFFAOYSA-N 282.387 3.748 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Cl)cc2F)C1 116812094 KJBTYWHVSPCLBF-ZUZCIYMTSA-N 294.757 3.681 30 20 CHED C#CCCCCC(=O)N1c2ccccc2CC[C@H]1C 120405002 HNXBVYMZVUIRSK-CQSZACIVSA-N 255.361 3.548 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)CSc2ccccc21 121547698 YTZWUZKLBZTXBS-AWEZNQCLSA-N 287.428 3.955 30 20 CHED CC[C@@H](C#N)N[C@H](Cc1ccc(C)cc1)c1ccccn1 122239894 FSWIAYWXBMNRFK-FUHWJXTLSA-N 279.387 3.566 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(C)cc1C 122644830 SQEQNAZHUCXFGF-UHFFFAOYSA-N 257.377 3.688 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2ccc3c(c2)COC3)cc1 125431288 KSTRUKLAJBFHLE-CYBMUJFWSA-N 294.354 3.620 30 20 CHED CC[C@@H](C#N)Sc1nc2ccc(Cl)cc2[nH]1 126967127 XKYKJUBLGJKUBY-QMMMGPOBSA-N 251.742 3.611 30 20 CHED O=C(/C=C/c1csc(Br)c1)c1ccco1 130872436 ZNOYCQFPIUJHFV-ONEGZZNKSA-N 283.146 4.000 30 20 CHED N#Cc1cccc(NCc2c[nH]nc2-c2ccc(F)cc2)c1 132879310 RFGFKDXSICZEJI-UHFFFAOYSA-N 292.317 3.700 30 20 CHED C=CC[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 134716424 QDIBZGKINLMCIK-SNVBAGLBSA-N 257.293 3.520 30 20 CHED O=C(/C=C/c1ccc(F)cc1C(F)(F)F)c1cnccn1 151427901 KIOKOEHAVWWUTF-DUXPYHPUSA-N 296.223 3.531 30 20 CHED C=CCCSCC(=O)Nc1ccccc1C(F)(F)F 151964494 DRIMWKMWWGMWHV-UHFFFAOYSA-N 289.322 3.953 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(O)c(Cl)c1 156556579 RCYBZRWXVHYQLV-UHFFFAOYSA-N 265.740 3.753 30 20 CHED CCCCC(=O)N(CC)c1ccc(C#N)c(Cl)c1 156574674 ODKUTMWXNAHKBG-UHFFFAOYSA-N 264.756 3.755 30 20 CHED N#Cc1ccc(COc2cccc3c2CCC3=O)c(Cl)c1 163121834 NUIJTDBYRRKJQI-UHFFFAOYSA-N 297.741 3.920 30 20 CHED CC(C)[C@H](C)CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 172435250 FYRNUWPIGIJPFH-CYBMUJFWSA-N 287.407 3.901 30 20 CHED C[C@H](Nc1ccc2c(c1)NC(=O)CC2)c1ccc(C#N)cc1 174189997 PXVZGBVXVSDRJF-LBPRGKRZSA-N 291.354 3.616 30 20 CHED CC(C)C1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 174717426 AMBHDRRFLRAFRI-UHFFFAOYSA-N 285.391 3.653 30 20 CHED Cc1ccc(CN(C)CCCC(C)(C)C#N)s1 174844550 XJRMTXMZAPODPC-UHFFFAOYSA-N 250.411 3.818 30 20 CHED C=CCCCC(=O)NCCc1ccc(C(F)(F)F)cc1 175083181 WQGUUFQQQNIMFA-UHFFFAOYSA-N 285.309 3.720 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)C1CC1 175323824 OUATYDQLQYKCIS-AMIZOPFISA-N 297.185 3.720 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2cc(C#N)cs2)cc1 176846281 MWPJTZVUAXKMSH-CMDGGOBGSA-N 296.395 3.972 30 20 CHED C[C@@H]1CCN(CC#N)c2cc(Cl)ccc2S1 177036985 GYKJYRZLVWMWHA-SECBINFHSA-N 252.770 3.554 30 20 CHED CCCC[C@H](NC(=O)Cc1ccc(C#N)cc1)C1CCC1 177125470 OEPCYNUJLMZZAQ-KRWDZBQOSA-N 284.403 3.576 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)Cc1cc2ccccc2o1 177521248 QUQAZRNOPHJFIE-GFCCVEGCSA-N 272.348 3.539 30 20 CHED Cc1ccc([C@H]2CCCCCN2C(=O)c2cc(C#N)c[nH]2)o1 177878969 FJKMSMOHTJJADP-OAHLLOKOSA-N 297.358 3.545 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCCC1)CCC2 179759861 MSYLFKORQPTKGF-INIZCTEOSA-N 282.387 3.573 30 20 CHED C=CCOc1ccc(CN(C)C2CCCC2)cc1OC 179798154 AYKAVKBPYDEOQK-UHFFFAOYSA-N 275.392 3.634 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](C)CCCc1ccccc1 179839969 GNSZIXZFIYGOGC-CVEARBPZSA-N 286.419 3.654 30 20 CHED C=CCSCCN[C@@H](C)c1cc(C)ccc1OC 180458429 GBLPCVPFGGFOHD-ZDUSSCGKSA-N 265.422 3.573 30 20 CHED Cc1cc(C)c(C#N)c(S[C@@H](C)c2nnc(C)s2)n1 181710120 JFBYXOORMWYDOL-VIFPVBQESA-N 290.417 3.583 30 20 CHED Cc1cccc(-c2[nH]ncc2/C=C/C(=O)c2ccncc2)c1 182241263 YMDVONRHKGAIMJ-AATRIKPKSA-N 289.338 3.676 30 20 CHED CC(C)Sc1ccc(Cl)cc1NC(=O)CC#N 185235080 JQHYYPFONIDBLR-UHFFFAOYSA-N 268.769 3.693 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 185399541 MCJDGEPKWWDIAZ-KBPBESRZSA-N 285.391 3.666 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 185724222 MKZVQRFOBGDNAI-WBMJQRKESA-N 283.375 3.529 30 20 CHED C=C(C)[C@H](NC(=O)COCCCC)c1ccc(F)c(F)c1 186050661 YHKIASDMVHZCRC-INIZCTEOSA-N 297.345 3.515 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)CSc2ccccc21 186090129 AKFOWVBWZKAZSD-AWEZNQCLSA-N 287.428 3.955 30 20 CHED CC[C@H]1[C@@H](C)CCN1Cc1ccc(N(C)CCC#N)cc1 187580791 UWMDTOCDWPJNBW-YJBOKZPZSA-N 285.435 3.657 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(C)(C)C#N 188943181 NOGROIJIZHIMBX-VXGBXAGGSA-N 292.810 3.840 30 20 CHED CC(C)(C#N)CCCN1CCC(c2ccncc2)CC1 191646295 XMWVGZMEHLUIEP-UHFFFAOYSA-N 271.408 3.591 30 20 CHED COc1cccc(CNc2cccc(C#N)c2C)c1F 192970273 VBKAICMHRABYEM-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc3ncccc3c2)n1 192999672 YVZAWXIQFSMXED-UHFFFAOYSA-N 288.354 3.730 30 20 CHED C=CCOC(=O)[C@H](C)Sc1nc2ccccc2s1 196373197 ZRYHJOHSLNGDRY-VIFPVBQESA-N 279.386 3.506 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(OC)c(C)c2)c1 206651552 YWRTUKZUNPJOBU-CLFYSBASSA-N 282.339 3.908 30 20 CHED CCOc1cccc(/C=C\C(=O)c2cccc(C#N)c2)c1 206975522 PZHRYEABJREQHH-KTKRTIGZSA-N 277.323 3.853 30 20 CHED CCc1ccccc1NC(=O)/C=C\c1ccccc1C#N 213204768 QGTXERGNYHGDJG-QXMHVHEDSA-N 276.339 3.773 30 20 CHED N#Cc1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)s1 230996391 QJLMTRFKUJNLNX-UHFFFAOYSA-N 289.266 3.615 30 20 CHED C=C(C)C(=O)c1ccccc1NC(=O)OC(C)(C)C 238852862 HLUZZTDTJWMOCC-UHFFFAOYSA-N 261.321 3.792 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1ccc2c(c1)CCO2 255517612 NYSCFYBUALGFNQ-HYXAFXHYSA-N 285.730 3.566 30 20 CHED CC(C)[C@H](C)C(=O)N(Cc1ccco1)c1ccccc1C#N 264844898 AZLXNILTIGUAFK-AWEZNQCLSA-N 296.370 3.977 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C(C)(C)C)on1 266024362 MCYBBQMWCBTKRU-UHFFFAOYSA-N 278.396 3.791 30 20 CHED C=CCOCCCC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 266298741 LTORTVBKKFXPPV-OAHLLOKOSA-N 293.794 3.596 30 20 CHED N#CC1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCC1 267932105 FVHTXCLZJZKWBQ-UHFFFAOYSA-N 296.292 3.814 30 20 CHED CC1(C)C[C@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 269868108 UEJHZZZDJMMAGV-HNNXBMFYSA-N 294.354 3.731 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC)c1ccc(Cl)s1 275370964 YAMCVUZSQZAIMF-VIFPVBQESA-N 272.801 3.680 30 20 CHED N#Cc1ccc(NC[C@@H]2CCO[C@H]2c2ccccc2)c(F)c1 277296249 ZYCVFGCNQVDBMM-YJBOKZPZSA-N 296.345 3.887 30 20 CHED c1ccc(-c2csc(CON=C3CCC3)n2)cc1 277589019 LHLJIFDETQBELJ-UHFFFAOYSA-N 258.346 3.867 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(F)cc2Cl)[C@@H]1C#N 278095487 YVNPBHZMTDNBEA-CYBMUJFWSA-N 294.757 3.633 30 20 CHED CC(C)(C#N)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 278291261 GDSOXOTTYVHWEA-CYBMUJFWSA-N 270.376 3.713 30 20 CHED CCN(Cc1ccc(Cl)s1)[C@H]1CC[C@@H](C#N)C1 278578708 JWSWCJCPMQYSFN-MNOVXSKESA-N 268.813 3.916 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 278604880 COTUNHCVZCVFEC-NVXWUHKLSA-N 269.388 3.503 30 20 CHED CC(C)(C#N)CC(=O)N1CCCSc2ccc(F)cc21 278900632 YMHFRHYUORCTSO-UHFFFAOYSA-N 292.379 3.594 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 279126588 XQUPBFZSBNXNSL-CHWSQXEVSA-N 270.376 3.742 30 20 CHED N#CCCN(CCC#N)CCc1cccc(Cl)c1Cl 279749248 PYZOXBIBRXYHAO-UHFFFAOYSA-N 296.201 3.665 30 20 CHED C=CCN(C(=O)C[C@H]1CCC[C@H](OC)C1)c1ccccc1 280605021 VMJHURGTBXMFTI-RDJZCZTQSA-N 287.403 3.801 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1C 281355016 WZTMJIHRTUEILK-KGLIPLIRSA-N 284.403 3.606 30 20 CHED C=CC[C@H]1N(C(=O)c2cn(C(C)C)cn2)CCCC1(C)C 282487871 VVINMGUWNUHFNA-OAHLLOKOSA-N 289.423 3.671 30 20 CHED C[C@@H](C1CC1)N(C(=O)c1cc(C#N)ccc1Cl)C1CC1 285062432 HBZWFINOCYFKFC-JTQLQIEISA-N 288.778 3.615 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc(F)cc1Cl 285409847 FSOAEJYDUUQWMA-YMTOWFKASA-N 282.746 3.596 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccnc(C#N)c2)c1 286349064 KURTXVDIEJDUPC-QGZVFWFLSA-N 263.344 3.603 30 20 CHED CC(C)(C#N)CCSCC(=O)Nc1ccc(F)cc1F 289333400 DBFIYMAXIUUURY-UHFFFAOYSA-N 298.358 3.576 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](c1cccnc1)C(C)C 292869478 RUWQDKLSJUDAAO-OAHLLOKOSA-N 274.408 3.540 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(F)ccc2Cl)C1 293836522 XKVLPAZGEUNOIS-BMIGLBTASA-N 294.757 3.681 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1c1nccc(C#N)n1 295493240 KCVRIKHPNAJMGT-SJORKVTESA-N 292.386 3.511 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1c1ccc(Cl)c(C#N)n1 301596800 WPLZPUFYPGKSGT-OCCSQVGLSA-N 297.789 3.989 30 20 CHED C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)[C@@H]1C 301624445 FYLWULSOZSANLP-NXEZZACHSA-N 268.282 3.812 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2cc(C)sc2C)n1 308261801 MVDYIMIIZVTKLM-SECBINFHSA-N 272.377 3.508 30 20 CHED C[C@H](Cc1ccccc1F)Nc1cccc(CC#N)c1 313412641 SQDOHTVJBVYRNP-CYBMUJFWSA-N 268.335 3.935 30 20 CHED CC1(C)CC[C@H](/N=C(/O)c2cnc3cnccc3c2)C1 328781159 JJFWYJXCSVABJO-ZDUSSCGKSA-N 269.348 3.513 30 20 CHED N#CC1(/C(O)=N/[C@@H]2CSc3ccccc32)CCCC1 329664206 QGONEPOUNASYDM-GFCCVEGCSA-N 272.373 3.874 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)N1CCCC2(CCCCC2)C1 329738402 MUBIMQDOIAIGGY-GJZGRUSLSA-N 289.423 3.639 30 20 CHED N#CC1(/C(O)=N/Cc2nc3ccccc3n2C2CC2)CCC1 329832233 KIVGYZXKMZHUSO-UHFFFAOYSA-N 294.358 3.522 30 20 CHED C[C@@H]1C[C@H](/N=C(/O)N[C@H]2CCCCC23CCCC3)CCO1 329843295 XJIYYGUZTPUQNG-KFWWJZLASA-N 294.439 3.561 30 20 CHED C[C@@H]1C[C@H](C/N=C(/O)NC(C)(C)CC(C)(C)C)CCO1 330624819 GSKULXMEDYXKPY-CHWSQXEVSA-N 284.444 3.520 30 20 CHED CCSc1cccc(N/C(O)=N/C[C@]2(C)CCOC2)c1 330785240 TURDBJBQQPFNKK-HNNXBMFYSA-N 294.420 3.551 30 20 CHED CC[C@H](N/C(O)=N/C[C@@H]1CCCO[C@@H]1C(C)(C)C)C(C)C 330794937 AKMOZAQTWWWWPI-KKUMJFAQSA-N 298.471 3.766 30 20 CHED CNc1ccc(Cl)c(/C(O)=N/[C@H]2CCCC[C@@H]2OC)c1 331248754 XFNCBYDOULYVKC-KBPBESRZSA-N 296.798 3.644 30 20 CHED Cc1ccc(C(=O)Nc2scc(C)c2C#N)s1 335677669 POFCKBAZNKXHKD-UHFFFAOYSA-N 262.359 3.550 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(F)c1 336182931 QFJJNCXYLZFNEG-LBPRGKRZSA-N 282.318 3.748 30 20 CHED CC(=O)c1ccc(Oc2nccc(C#N)c2Cl)c(C)c1 336496944 CNHJGDSFTCQXQV-UHFFFAOYSA-N 286.718 3.910 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H](C)c1ccccc1F 337862053 BMOHYGSFBPMYNW-CYBMUJFWSA-N 296.345 3.839 30 20 CHED Cc1ccc([C@H]2OCCC[C@H]2Nc2cc(C#N)ccn2)cc1 342817865 SDONTXHEMVIERB-SJLPKXTDSA-N 293.370 3.594 30 20 CHED CC(C)(C)Oc1cc(NCCCCC#N)ccc1[N+](=O)[O-] 343270982 BQJKFJWHHMGDEK-UHFFFAOYSA-N 291.351 3.878 30 20 CHED CC[C@H](Nc1nccc(C)c1C#N)c1ccc(OC)cc1 343503491 FFFUFHMBUSJUNF-INIZCTEOSA-N 281.359 3.834 30 20 CHED N#Cc1ccncc1NCC(F)(F)c1ccc(Cl)cc1 343979768 YDDJTPAKZOAPCI-UHFFFAOYSA-N 293.704 3.811 30 20 CHED Cc1c(Cl)c(CN(C)[C@H](C)CC#N)nc2ccccc12 345944127 YZLTXWHCIQUMHU-LLVKDONJSA-N 287.794 3.931 30 20 CHED C=CCN1CC[C@@H](S[C@@H](CC)c2ccccc2)C1=O 347775988 KTCSVJAVXPBUAY-LSDHHAIUSA-N 275.417 3.658 30 20 CHED C[C@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC[C@H]1C 348199700 QAWYNHJGTYNELZ-JKIFEVAISA-N 296.414 3.531 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1=CCCC1 348482301 DCAXRYSQGHYIAF-UHFFFAOYSA-N 282.387 3.653 30 20 CHED CC(C)(CCC#N)CNC(=O)NC(C)(C)c1ccccc1 352535499 RLLYSWABVBSAAN-UHFFFAOYSA-N 287.407 3.551 30 20 CHED CC(C)(CCC#N)CNC(=O)NC1(c2ccccc2)CCC1 352683067 KEHDABMZLZJBIJ-UHFFFAOYSA-N 299.418 3.695 30 20 CHED COc1ccc2c(c1)C(C)(C)C[C@@H]2NCCCCC#N 353331324 PEXQTSNTTXRSCI-INIZCTEOSA-N 272.392 3.701 30 20 CHED CCCN(CC#N)Cc1ccccc1Oc1cccnc1 354720813 GUPDKQPYBNFBNA-UHFFFAOYSA-N 281.359 3.609 30 20 CHED C=CCC[C@H](NC[C@H]1CC[C@H](C)O1)c1ccccc1 355260490 ORIIERKJPWKRPO-UAGQMJEPSA-N 259.393 3.851 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1 356122258 YDLDPIAOFXYQCW-MRXNPFEDSA-N 298.430 3.518 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H](C3CC3)C2)cc1 356447606 ROGLRVPQKUVGHD-MRXNPFEDSA-N 285.387 3.514 30 20 CHED C=C(CC)CN1CCC[C@H]1c1nc2ccccc2n1C 358621671 ZDMCXQNWOAQHES-INIZCTEOSA-N 269.392 3.676 30 20 CHED N#CCCCC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 360341630 ADPUWUYEYNKWBT-UHFFFAOYSA-N 288.778 3.650 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccccc1 377829205 QLUQPEOZMVANKN-SJKOYZFVSA-N 294.329 3.531 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)[C@H]2CCC[C@@H]21 378813924 AUDOMSISPOUTKU-HOCLYGCPSA-N 272.367 3.708 30 20 CHED C=CCCCCNCc1cc(Cl)c(OC)c(OC)c1 389074604 YFVVOSRMOAORBD-UHFFFAOYSA-N 283.799 3.803 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc(OCCC)cc1 410116056 ACELHOLSDIFDEE-MRXNPFEDSA-N 289.419 3.879 30 20 CHED CC(C)[C@H](C)[S@@](=O)CCC1(C#N)CCCCC1 414232845 DKAZVEJNUQJAJY-GUYCJALGSA-N 255.427 3.644 30 20 CHED Cc1cc(CNCc2cnccc2C(C)(C)C)ccc1C#N 414504263 XVMBTEAUHIQZHW-UHFFFAOYSA-N 293.414 3.849 30 20 CHED CCCCN(CCCC)C(=O)CSCC1(C#N)CCC1 419581567 MFONVJAVQLCWMD-UHFFFAOYSA-N 296.480 3.842 30 20 CHED CCSc1ccc([C@@H](C)Nc2cncc(C#N)n2)cc1 420588713 SHSTVBHVBRCAPD-LLVKDONJSA-N 284.388 3.633 30 20 CHED CC(C)[C@H](CCc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 424320722 GFSCSBNVKAHHLF-KSZLIROESA-N 270.420 3.926 30 20 CHED C[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@H](C)C1 425035463 IJJPGAWMPCCINI-BFYDXBDKSA-N 284.403 3.721 30 20 CHED N#CCCN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 426003177 REYNAPHRILOYMK-KGLIPLIRSA-N 282.309 3.845 30 20 CHED Cc1ccc([C@H](C)c2noc(-c3ccc(C#N)o3)n2)cc1 426429298 XCXUDMTZEAIGDW-NSHDSACASA-N 279.299 3.662 30 20 CHED CC(C)[C@H]1N(Cc2cccc(C#N)c2)CC12CCC2 430090513 NWFRTXJKTIBZGX-MRXNPFEDSA-N 254.377 3.569 30 20 CHED Cc1ccc(-c2cc(CN(C)CC(C)(C)C#N)on2)cc1 433307759 VUULBACUNRUUJC-UHFFFAOYSA-N 283.375 3.632 30 20 CHED CCO[C@H]1C[C@H](N(C)CCCSCC#N)C1(CC)CC 434976528 CLRXVWYHGNCSHJ-GJZGRUSLSA-N 298.496 3.549 30 20 CHED N#Cc1cccc(C2(C(=O)Nc3ccc(F)c(F)c3)CC2)c1 435035669 REIVTWRNDYSGDP-UHFFFAOYSA-N 298.292 3.507 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)C1(c2cccc(C#N)c2)CC1 435082558 STRLRMBSCWGGCP-CQSZACIVSA-N 298.430 3.921 30 20 CHED C=CCN(CC(F)(F)F)C(=O)C1C[C@H]2CCC[C@H](C1)C2 435493449 RBZVNGKFPHFJGT-RYUDHWBXSA-N 289.341 3.780 30 20 CHED N#C[C@@H]1CC[C@H](NCCOc2ccc3ccccc3c2)C1 442709385 AFPODMREAMXLNQ-PBHICJAKSA-N 280.371 3.500 30 20 CHED C=CCNC(=O)N[C@H](c1ccccc1F)C1CCCC1 445581262 ADJVNBZJJYHNEZ-HNNXBMFYSA-N 276.355 3.542 30 20 CHED C=CCCCCNC(=O)N[C@H]([C@@H](C)CC)C(F)(F)F 446292773 KDCOHEUYUOPLOM-WDEREUQCSA-N 280.334 3.619 30 20 CHED CC#CCCN1CCn2c(cc3ccc(Cl)cc32)C1 447387517 UHPDIXXGQUWLAS-UHFFFAOYSA-N 272.779 3.524 30 20 CHED CC1(C#N)CCC(NCC(C)(C)Oc2ccccc2)CC1 449154484 NMPDYCUBQASDBS-UHFFFAOYSA-N 286.419 3.906 30 20 CHED Cc1cc(C)c2cc(CN[C@H]3CC[C@@H](CC#N)C3)[nH]c2c1 449446336 PDGRLFCCIMHFLM-GJZGRUSLSA-N 281.403 3.957 30 20 CHED N#C[C@]1(C(=O)NCCCCC2CCCC2)CC12CCCC2 449988240 FMYGZZRMMRSQTE-SFHVURJKSA-N 288.435 3.937 30 20 CHED CC#CCCNC(=O)C(C)(C)c1cccc2ccccc12 450477570 XAODCPFYSFLZAF-UHFFFAOYSA-N 279.383 3.647 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc(C#N)c1 452528734 NYYMDCVPLXBHHX-LXZKKBNFSA-N 284.403 3.604 30 20 CHED C=CC(C)(C)CNC(=O)N(CC)Cc1cccc(F)c1 455375731 ZYMILKRSIQJYRD-UHFFFAOYSA-N 278.371 3.569 30 20 CHED C=CCC1(NC(=O)CCc2ccoc2)CCCCC1 456366319 MDXJSBOOSIPEPL-UHFFFAOYSA-N 261.365 3.607 30 20 CHED C=CCC1(NC(=O)c2cnn(C(C)(C)C)c2)CCCCC1 456385763 RXNHLHRJZAQYDR-UHFFFAOYSA-N 289.423 3.647 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCCC(=O)C(C)(C)C)c1 456974097 WZJVFSQJAVNUCQ-UHFFFAOYSA-N 286.375 3.591 30 20 CHED C=CCCCCCN(C)C(=O)c1cncc(Cl)c1C 457582089 RMVKWOXNMNQNHQ-UHFFFAOYSA-N 280.799 3.862 30 20 CHED CCc1ccccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 461765999 GUEMZIOMKJEQBM-ZDUSSCGKSA-N 278.355 3.863 30 20 CHED CCC1(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CCCC1 462257437 NZMFZUCUDQKWGH-AWEZNQCLSA-N 284.403 3.748 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C)n1 462714171 DASBEZVOFPILCN-UHFFFAOYSA-N 287.407 3.990 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 465144530 LSAFCGSZXINBMB-NWDGAFQWSA-N 282.387 3.597 30 20 CHED C=CC[C@@H](CC)NCc1coc(-c2ccccc2)n1 466388484 ZAFHFUWKIBHBFK-CQSZACIVSA-N 256.349 3.786 30 20 CHED C=CCCN(C)Cc1cc(F)cc(C(F)(F)F)c1 467382245 PCXNUTLHMCGRAJ-UHFFFAOYSA-N 261.262 3.852 30 20 CHED C=CCCN(C)Cc1ccc(OC(F)F)c(Cl)c1 467390592 WXRVCAIHPLHJMN-UHFFFAOYSA-N 275.726 3.949 30 20 CHED CC1(C)CCC[C@H](NC(=O)CCc2ccc(C#N)cc2)C1 467893357 FGLFECVSLRFCLQ-INIZCTEOSA-N 284.403 3.576 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 474099036 WWTHPDKDJWRFAJ-ZNMIVQPWSA-N 264.413 3.563 30 20 CHED C=CCCC1(C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 476161011 SZOQMRJMKFWJEO-HNNXBMFYSA-N 287.403 3.625 30 20 CHED C=C(C)CN(CC)C(=O)NCc1nc(C(C)C)c(C)s1 477994724 QEJDZXFSSALMNA-UHFFFAOYSA-N 295.452 3.683 30 20 CHED CC(C)(CCN1CCCCCC1)NCc1cccc(C#N)c1 479598634 BTJWKZNVKOWUCB-UHFFFAOYSA-N 299.462 3.693 30 20 CHED C=C(C)[C@H](N[C@H](C)[C@H]1CCCO1)c1ccc(F)c(F)c1 480664014 WPCOZDPTLUGHAP-LYRGGWFBSA-N 281.346 3.739 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H]2CCCC[C@@H]12 483678854 DWMVAAAAAJJFHC-ISTRZQFTSA-N 272.367 3.708 30 20 CHED CC(C)[C@@H](CC(=O)N[C@@]1(C#N)CC1(C)C)c1ccccc1 484904191 BJLVGYYBDOBYQT-CRAIPNDOSA-N 284.403 3.625 30 20 CHED Cc1cc(CN2CC[C@H](c3ccccc3)C2)ccc1C#N 486659211 RTSWOIWNWBWFAG-IBGZPJMESA-N 276.383 3.856 30 20 CHED CC1=CCN(c2c(C#N)cnc3ccc(C)cc23)CC1 488081200 BSNPAUCLYNNXHW-UHFFFAOYSA-N 263.344 3.571 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 488488787 RYQWNVUZROBBNJ-XQQFMLRXSA-N 264.417 3.714 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccn1 488538875 DMTOZDSYWZOTNI-NSHDSACASA-N 299.296 3.673 30 20 CHED C=CCN(CC=C)C(=O)C1(c2ccccc2F)CCCC1 489684790 NKOSWQYPSSGZLN-UHFFFAOYSA-N 287.378 3.838 30 20 CHED C=CCNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 491323967 UJQBBEDYFSYQLB-UHFFFAOYSA-N 288.297 3.939 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N1CC2(CCCCC2)C1 503253873 KJXYGMMOJSJQBQ-QGZVFWFLSA-N 296.414 3.552 30 20 CHED CCN(CC#N)C/C(C)=C\c1ccccc1C(F)(F)F 503909380 LTTDAOPDUIRCSL-BENRWUELSA-N 282.309 3.954 30 20 CHED CN(CC1CCCCC1)C(=O)c1cc(C#N)ccc1Cl 505259505 IUKFUCDOPBVMID-UHFFFAOYSA-N 290.794 3.864 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)C1(c2ccccc2)CCCC1 505990293 BMPQZTJNJCSELH-HNNXBMFYSA-N 298.430 3.943 30 20 CHED Cc1c([C@@H](C)Nc2cc(C#N)ncn2)oc2ccccc12 515199858 VWWCBXDYYFMADJ-LLVKDONJSA-N 278.315 3.576 30 20 CHED CCc1ccc(CN(C)C(=O)C2(C#N)CCCCC2)cc1 518488499 UMZBOZCVADMJSL-UHFFFAOYSA-N 284.403 3.681 30 20 CHED CC(C)CN(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 519374800 KZPNTFYMPDHMLT-UHFFFAOYSA-N 291.394 3.814 30 20 CHED C=CCCCSCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 522757215 UNGFZRAKQZFOOI-QPSCCSFWSA-N 281.465 3.627 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1cccc(C#N)c1 524518386 ZFBJEDPSWUTGMK-GOEBONIOSA-N 270.376 3.647 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1[C@@H](C2CC2)[C@H]1C 529493390 XNXUPNQVBUBMRI-BNEJOLLZSA-N 283.415 3.582 30 20 CHED N#C[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc(Cl)cc1 530862765 KINXGWPWPOSMCG-UONOGXRCSA-N 288.778 3.601 30 20 CHED Cc1sc(NC(=O)CC2CCSCC2)c(C#N)c1C 532143604 MMWUZFNSUZISBP-UHFFFAOYSA-N 294.445 3.708 30 20 CHED COc1cc(C#N)ccc1CNc1cccc2c1ccn2C 536587629 ZLVYQRMQMTUTTO-UHFFFAOYSA-N 291.354 3.671 30 20 CHED C=C(CC)CSc1nccn1Cc1ccccc1 538013105 MECSJIWBMBKHPI-UHFFFAOYSA-N 258.390 3.990 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@H](C)c1cccc(C)c1 543115782 WCEFOSVFUSHCIG-HOCLYGCPSA-N 274.408 3.752 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 544612251 ZYUCRVGBMFVCDA-TYNCELHUSA-N 285.391 3.813 30 20 CHED C=C(C)[C@H](Cc1nc([C@@H](C)C(C)(C)C)no1)OCC 545736052 ZDZBYILTMDDIIG-NEPJUHHUSA-N 266.385 3.743 30 20 CHED C=CCOCCN[C@@H](c1ccccc1)C1CCCC1 549526821 ABXLSOVMTYXZOG-KRWDZBQOSA-N 259.393 3.710 30 20 CHED C[C@H]1CCC[C@@H](c2noc(Cc3c(F)cccc3C#N)n2)C1 558311368 RXGRAQNJKPASKC-NWDGAFQWSA-N 299.349 3.965 30 20 CHED Cc1cc(SCCc2c(C)noc2C)ccc1C#N 563129042 SONBHCYUFBWURU-UHFFFAOYSA-N 272.373 3.806 30 20 CHED CC(C)(C)c1ccc(C(=O)N2CCC(CCC#N)CC2)nc1 563187380 WCGFJZPPVYDEDY-UHFFFAOYSA-N 299.418 3.535 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCC[C@@H](F)C1 564906468 XGYSCZPZRCKBIC-ZJUUUORDSA-N 287.260 3.665 30 20 CHED C=CCOCCN(C1CC1)C1CC(c2ccccc2C)C1 565434794 NFUPMTFXCWPASC-UHFFFAOYSA-N 285.431 3.908 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc(C2CC2)cc1 565763530 AKLSVXPFNGHWFF-LLVKDONJSA-N 296.395 3.988 30 20 CHED C=CCNc1cc(F)c(F)cc1N1CCCCC1 566652396 ZXKUEKQRTJMETR-UHFFFAOYSA-N 252.308 3.553 30 20 CHED Cc1cc(NC[C@H](C#N)CCC#N)ccc1-c1ccncc1 569651094 YTEDPVPHBDFVJM-HNNXBMFYSA-N 290.370 3.912 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1CC#N 571440906 DGUNRWPIOGRVKS-INIZCTEOSA-N 292.382 3.960 30 20 CHED CN(C/C=C/c1ccc(F)c(F)c1)Cc1cccc(C#N)c1 575218183 UNQYXZMVALYDBM-ZZXKWVIFSA-N 298.336 3.982 30 20 CHED CCCC[C@H](Nc1cc(C#N)ncn1)c1ccc(OC)cc1 576927412 KGARUMJNKMDNKC-INIZCTEOSA-N 296.374 3.700 30 20 CHED Cc1cn(Cc2ccc(CN3CCCCC3)cc2)cc1C#N 577164946 HODCMQUICYQVGK-UHFFFAOYSA-N 293.414 3.702 30 20 CHED C=CCC[C@@H](Nc1cccc(-c2cn(C)nn2)c1)C1CC1 577748184 ORQSVSGVUMAJGI-MRXNPFEDSA-N 282.391 3.639 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(n2)CCCC3=O)CCCC1 578223072 SEAKHYWQHYEGRA-UHFFFAOYSA-N 298.386 3.676 30 20 CHED CC(C)(C)[C@@H]1CN(C(=O)NCC2(C#N)CC2)c2ccccc21 581108764 CNAMSUSIDFLTBP-CQSZACIVSA-N 297.402 3.650 30 20 CHED N#Cc1cc(NC(=O)C2CCCCC2)nc2ccccc12 582265986 YRACRCPPSZQDFU-UHFFFAOYSA-N 279.343 3.625 30 20 CHED C=CCCCCSc1nc(C(=O)OCC)ccc1C#N 584510670 JIVUXTCUNZCXRD-UHFFFAOYSA-N 290.388 3.578 30 20 CHED Cc1ccc(F)cc1CON=Cc1ccccc1F 588547220 RWCKPSZEZACKOY-UHFFFAOYSA-N 261.271 3.824 30 20 CHED Cc1ncccc1CN(CC(C)C)c1ccc(C#N)cc1 589256168 HNDUKYDGDZIOAE-UHFFFAOYSA-N 279.387 3.924 30 20 CHED CC1(C)CCC[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 589340592 KRCYOLQRXDKEQJ-CVEARBPZSA-N 254.377 3.714 30 20 CHED Cc1cc(CNc2nc(C(C)(C)C)ccc2C#N)ccn1 590708988 RTTSEPKLRWJMMS-UHFFFAOYSA-N 280.375 3.566 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)c2ccccc12 591075877 YKLKFCYRNDIHQE-IBGZPJMESA-N 292.382 3.914 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1Cl 591531411 IOTLNXVZLOYSDQ-DIFFPNOSSA-N 297.789 3.945 30 20 CHED CC(C)Cn1nccc1CN(C)[C@@H](C)c1cccc(C#N)c1 592516635 ROZQOFOFCIBGLO-HNNXBMFYSA-N 296.418 3.604 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(c3ccccc3F)CCC2)C1 593643096 VSFIFYGGKPPVLD-KGLIPLIRSA-N 272.367 3.529 30 20 CHED CCC[C@@H](CC)NC1CCN(Cc2cccc(C#N)c2)CC1 593703981 YCNOSRFSJVLCML-GOSISDBHSA-N 299.462 3.691 30 20 CHED CCc1cc(C(=O)N(C)CC#N)sc1-c1ccccc1 594255458 DMFYNBOWTHGBHL-UHFFFAOYSA-N 284.384 3.573 30 20 CHED C=CCCSCCN[C@@H](C)Cc1ccsc1 595058260 FYBUTXLIBVEYHN-LBPRGKRZSA-N 255.452 3.578 30 20 CHED Cc1ccc(C#N)nc1N1CCS[C@H](c2ccccc2)C1 596174216 CSWZIEHZPZOBAL-INIZCTEOSA-N 295.411 3.556 30 20 CHED N#CCC1(CSCc2nc(-c3cccs3)no2)CC1 596327940 LQLOTFWZPYQTGD-UHFFFAOYSA-N 291.401 3.725 30 20 CHED N#CC1(CC(=O)N2CCC[C@H]3CCC[C@H]32)CCCCC1 597298785 BMTUHZPOUAGHQL-HUUCEWRRSA-N 274.408 3.642 30 20 CHED CCN(C(=O)c1ccc(C2=CCCC2)cc1)[C@H](C)C#N 598363449 QBOSMCZVLIRECW-CYBMUJFWSA-N 268.360 3.628 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)C[C@@H](C)C1(F)F 599514770 ZQYYEFFROPULGF-VXGBXAGGSA-N 258.356 3.539 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 599819468 PZBVPIDWGZFIKS-ZOBUZTSGSA-N 299.414 3.694 30 20 CHED C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@H](C)C1(F)F 600187403 YAKIGBKJNOAHLL-STQMWFEESA-N 298.377 3.600 30 20 CHED CC1(C#N)CCC(NCc2cccc3[nH]ccc23)CC1 601173588 DFJCESIYRRXEEZ-UHFFFAOYSA-N 267.376 3.730 30 20 CHED C[C@@H](C#N)Cn1nc(C2CC2)cc1-c1ccccc1 601931867 FXBISIDLASFVQJ-LBPRGKRZSA-N 251.333 3.587 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(Cl)c1 602501513 AQXRRAFCFDPJCI-ZDUSSCGKSA-N 292.810 3.529 30 20 CHED CCN(CC)Cc1ccc(NC[C@H](C)CCC#N)cc1 602631326 SNIGMUWJCBZDNF-OAHLLOKOSA-N 273.424 3.880 30 20 CHED C[C@@H](CCC#N)CN[C@](C)(Cc1ccccc1)C1CC1 602687497 XTEQOWCJICXQSU-MAUKXSAKSA-N 270.420 3.927 30 20 CHED N#Cc1c(F)cccc1Sc1ncnc2sccc12 604474884 XOTBUGXBJGBZHU-UHFFFAOYSA-N 287.344 3.853 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc2ccccc2s1 608824508 ZLYURAGHEPNZTO-LBPRGKRZSA-N 272.373 3.569 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2cc3ccccc3o2)C1 609737075 ZAPSPUNCZRXMDA-FZKQIMNGSA-N 296.370 3.564 30 20 CHED CCc1ccc(CN[C@@H](C)c2cccc(C#N)c2)o1 610760468 MBTVYYSUVCGYTP-LBPRGKRZSA-N 254.333 3.564 30 20 CHED CC[C@@H](C)Oc1cc(CN(C)[C@H](C)CC#N)ccc1OC 611268540 KLPSMZAONNQDGF-ZIAGYGMSSA-N 290.407 3.606 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)c1cnccc1C#N 611280630 VJHSLXRFBKENOC-UHFFFAOYSA-N 292.169 3.896 30 20 CHED Cc1cccc2cc(C(=O)N3CCC[C@](C)(C#N)C3)oc12 612251716 REHJUSFVCILEMK-QGZVFWFLSA-N 282.343 3.507 30 20 CHED COCCN(Cc1ccc(C#N)cc1C)[C@H]1CC[C@@H](C)C1 616873178 XPKJLPBZAQPGEC-KDOFPFPSSA-N 286.419 3.504 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(Cl)cncc2Cl)C1 617779350 ZHHBMSKLKALACG-SNVBAGLBSA-N 299.201 3.817 30 20 CHED C=CCC1(NC(=O)c2ccc(F)cc2C)CCCC1 619108084 OVWXUPBVKHVHPR-UHFFFAOYSA-N 261.340 3.753 30 20 CHED C=CCCCCNC(=O)[C@H](C)Cc1ccccc1C 626490620 STRBLGADLYGPFZ-OAHLLOKOSA-N 259.393 3.646 30 20 CHED C=CCC1(NC(=O)c2ccc(CCC)s2)CCOCC1 633640896 RSQDAXHUNVBEKU-UHFFFAOYSA-N 293.432 3.556 30 20 CHED CC#CCCCC(=O)N(C)[C@H](C)CSc1ccccc1 650227991 QFXMVBHUOHTFBK-OAHLLOKOSA-N 289.444 3.819 30 20 CHED C=C(CNC(=O)CC1CCCCC1)c1ccccc1 672479168 DEYBIHCYPCFQRT-UHFFFAOYSA-N 257.377 3.786 30 20 CHED Clc1ccc(C#CCN2CCC[C@@H]2C2CC2)cc1 674250301 ZLMLAKSORQLYMA-MRXNPFEDSA-N 259.780 3.566 30 20 CHED CC#CCCCc1nc(Cc2csc(C(C)C)n2)no1 685273296 VFSMOLHAPUASIV-UHFFFAOYSA-N 289.404 3.586 30 20 CHED C=CCn1c(CCCC)nnc1N1CCC[C@@H]2CCC[C@@H]21 685541287 ZYSODEVGQKXZMA-GJZGRUSLSA-N 288.439 3.576 30 20 CHED CCOCC(C)=NNc1ccc(Br)c(C)c1 726419284 AJKGOJDNJYDIGN-UHFFFAOYSA-N 285.185 3.582 30 20 CHED C=CC[C@H](C)C(C)=NNc1nncc2ccccc12 727777297 ONQQWPMNLXXEHY-NSHDSACASA-N 254.337 3.630 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H](C)C1CC1 729433812 RSYXOKXSHSLPRG-CYBMUJFWSA-N 264.413 3.601 30 20 CHED C=CCOCC(=O)O[C@H](C)c1ccc(Cl)c(Cl)c1 729757859 BBDDJZAHKHSTAG-SECBINFHSA-N 289.158 3.800 30 20 CHED O=C(CON=C1CCC1)Nc1ccccc1-c1ccccc1 735490243 SSGUKPHSNXXRRS-UHFFFAOYSA-N 294.354 3.849 30 20 CHED COc1ccc(CCNN=Cc2cccc(Cl)c2)cc1 737440243 ZKDMIHFEJVRAPV-UHFFFAOYSA-N 288.778 3.515 30 20 CHED CC1(C)[C@H](/N=C\c2cc(Cl)ccc2O)[C@@H]2CCCO[C@H]21 741465762 YCHUYTHKMUNLTE-HBTIJLPGSA-N 293.794 3.668 30 20 CHED CCCCCCCCOCC(=O)N1CCc2ccccc21 741509327 YWYAOYFWDGQJGL-UHFFFAOYSA-N 289.419 3.953 30 20 CHED CO[C@@H](C/N=C/c1ccccc1O)c1ccc(Cl)cc1 741758145 RCNQZUAELYHUSI-HKJBKDEOSA-N 289.762 3.852 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C)cc1 743057053 FLGVOXFUBTVUTQ-UHFFFAOYSA-N 298.317 3.790 30 20 CHED C#Cc1cccc(N=C2NN=C(C3CCCC3)CS2)c1 743277135 IYALEQZJXSHPAW-UHFFFAOYSA-N 283.400 3.538 30 20 CHED Cc1cc(C)cc(NN=C2[C@@H]3CCCO[C@H]3C2(C)C)c1 743429916 BTMAQNZGVHCICQ-GOEBONIOSA-N 272.392 3.906 30 20 CHED C=C(Cl)CNC(=O)NCC(CC)(CC)c1ccccc1 743620137 BVIUZUVSMJEFRP-UHFFFAOYSA-N 294.826 3.796 30 20 CHED C=C(C)CCOC(=O)c1ccc(OC)cc1Br 744303363 XBQRMXRWZCSBNZ-UHFFFAOYSA-N 299.164 3.581 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CCCC[C@@H]2C)c1 745005495 FKJOWCUPNVIOCU-NSHDSACASA-N 293.411 3.987 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCc2ccccc2C1 747062466 XPDMNMCATJQEEV-UHFFFAOYSA-N 295.342 3.860 30 20 CHED Fc1cc(NN=C/C=C\c2ccco2)cc(F)c1F 747642301 MCBZUBASKYFYOK-MHVYKCHPSA-N 266.222 3.808 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CCC[C@@H]2C(C)C)o1 747754068 PBYJRVBHNVMHSJ-GFCCVEGCSA-N 288.395 3.969 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNc1nccnc1Cl 748251490 KXUQDJRUPZUARE-SECBINFHSA-N 266.776 3.744 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccccc2Cl)o1 749452518 OKKNSYBNKYGTOO-VURMDHGXSA-N 290.702 3.616 30 20 CHED CC(C)=C(C)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 752034152 OOHLGUGXIDLTPE-IAGOWNOFSA-N 282.387 3.641 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccccc1N1CCCCCC1 753943519 PEBDBAXKAXVVMI-UHFFFAOYSA-N 299.418 3.600 30 20 CHED C=CCCOC(=O)c1cccc(-c2ccccn2)c1C 755023136 HGGGPMGLFXBYPP-UHFFFAOYSA-N 267.328 3.790 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1c(F)cc(C#N)cc1F 755328504 KJPNYPMWFXIDJV-BFVZDQMLSA-N 293.313 3.818 30 20 CHED CC(C)(C)C=NNc1nc(C(F)(F)F)cs1 755769530 GATJFWTWUOTSII-UHFFFAOYSA-N 251.277 3.606 30 20 CHED COc1cc(C)c(C(C)=NNc2cc(C)ccn2)cc1OC 755905416 IRABNQQJXLEEMX-UHFFFAOYSA-N 299.374 3.552 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cc(C)ccc1C)OCC 756489233 ZSDKILPRYDWYOX-CQSZACIVSA-N 262.349 3.580 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1cc(F)cc(F)c1O 757473666 NUBLWGLWXDFNFG-DUXPYHPUSA-N 296.219 3.845 30 20 CHED C[C@H](Oc1ccc(Cl)cc1)C(=O)OCCC(C)(C)C#N 758701095 DRIBTZCDUBVFMR-NSHDSACASA-N 295.766 3.590 30 20 CHED N#Cc1ccc(F)cc1COC(=O)/C=C/c1ccccc1F 759354504 PTTXIFJRAGJKTG-SOFGYWHQSA-N 299.276 3.593 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2F)cc1OC 759653272 OZCWWVAXOSOSBM-UHFFFAOYSA-N 288.322 3.597 30 20 CHED Cc1cc(C=NNc2nc(-c3ccccc3)no2)c(C)s1 760249236 TWEAXXOIUMXILG-UHFFFAOYSA-N 298.371 3.861 30 20 CHED CCn1c(C)cc(C=NNc2ccc(F)cc2OC)c1C 761891246 XRXWRFKNUQRZLJ-UHFFFAOYSA-N 289.354 3.719 30 20 CHED N#Cc1cccc(OCCCSc2nccn2C2CC2)c1 763137539 KWNQAGWCWHULRX-UHFFFAOYSA-N 299.399 3.651 30 20 CHED C#CCN(C(=S)Nc1c(CC)cccc1CC)C1CC1 763363004 FNTMIFRRMQKOCW-UHFFFAOYSA-N 286.444 3.606 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(OC)cc2C)c1O 764415019 XGUONGIYQDOIBQ-UNOMPAQXSA-N 299.370 3.727 30 20 CHED Cc1cc(OC(=O)CCc2ccc(F)cc2)ccc1C#N 765114349 YBLOWRNCKDYLFE-UHFFFAOYSA-N 283.302 3.544 30 20 CHED Cc1nc(Cl)cc(NN=C2CC(C)(C)C[C@H]2C)n1 766022055 YMOYDEJALSRBBL-MRVPVSSYSA-N 266.776 3.662 30 20 CHED C#CCSCCN[C@H]1C[C@H](c2ccccc2)C1(C)C 766328726 GDZNGGSXMVEUQE-CVEARBPZSA-N 273.445 3.525 30 20 CHED C=C(C)COC(=O)c1nn(-c2ccccc2Cl)cc1C 766618869 VYRNTGGOXODCRC-UHFFFAOYSA-N 290.750 3.567 30 20 CHED Cc1cc(C)nc(NN=Cc2ccc(Cl)cc2C)n1 767351434 BFTOAHCSZBCLGS-UHFFFAOYSA-N 274.755 3.501 30 20 CHED CC(C)(C#N)CCCCOC(=O)/C=C/c1ccc(O)cc1 768494120 ZNMKHADHQAAGQC-JXMROGBWSA-N 287.359 3.669 30 20 CHED C=CCN(Cc1ccc(OC)c(COCC)c1)C(C)C 768547429 MEYWQTXDONUJGR-UHFFFAOYSA-N 277.408 3.628 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1csc(C(C)C)n1 768763638 IVJAQSWOJUCIOB-UHFFFAOYSA-N 299.403 3.979 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(CC#N)cc1 768818333 INOZVWYOHNXDKC-UHFFFAOYSA-N 284.359 3.630 30 20 CHED C=CCN(C(=O)c1ccc(C(C)C)cc1O)C(C)C 769762389 HRXXGWFWZIHTNE-UHFFFAOYSA-N 261.365 3.552 30 20 CHED CC(=NNCc1ccc(C#N)cc1)C1CCCCC1 769820491 GBYZVNJYGJISJK-UHFFFAOYSA-N 255.365 3.604 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C=C1CCSCC1 771659870 KZQNUWOCZMWKJX-UHFFFAOYSA-N 294.464 3.618 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1sccc1O 771744170 ITXCWDFHELKVRE-RQOWECAXSA-N 266.268 3.628 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)[C@@H]1Cc2ccccc21 773168735 HFMUYEJJQJKFOY-QGZVFWFLSA-N 296.753 3.575 30 20 CHED Cc1ccc2c(c1)CCN2Cc1cc(C#N)ccc1F 773649006 QIWVTANRATZLQL-UHFFFAOYSA-N 266.319 3.569 30 20 CHED COc1cc(Cl)ccc1NCc1ccc(C#N)cc1F 774369787 LOQBVQGZTXMXGT-UHFFFAOYSA-N 290.725 3.971 30 20 CHED COc1cccc(CC(=NOC2CCCC2)C2CC2)c1 774596366 DLGKCBKGCRQUAD-UHFFFAOYSA-N 273.376 3.963 30 20 CHED C1CCC(N2CCC(=NOC3CCCC3)CC2)CC1 774596370 DLXSSYLECRFTIE-UHFFFAOYSA-N 264.413 3.730 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)O[C@@H](C#N)C1CCCCC1 775073961 PDQBQUCNFNVZCD-DZKIICNBSA-N 263.381 3.684 30 20 CHED O=C(/C=C\c1cc2cc(F)ccc2o1)c1ccncc1 776188458 RNKVFFZIVMEQJE-IHWYPQMZSA-N 267.259 3.863 30 20 CHED N#C[C@H](OC(=O)/C=C/c1cccc(F)c1)C1CCCCC1 776362080 YQQHSFILGBVLFF-SCOAYWHSSA-N 287.334 3.855 30 20 CHED Cc1cc(C)cc(OC(=O)Cc2ccccc2CC#N)c1 776735026 UHAYQJMVVRLANT-UHFFFAOYSA-N 279.339 3.518 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C#N 779603061 DGCBCNCHRORNCX-MQIPJXDCSA-N 299.374 3.727 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)[C@@H]1CCCOC1 779771054 FGICHMCOEAEPNX-OAHLLOKOSA-N 260.381 3.826 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)c1)c1ccc(Cl)cn1 781611707 FIYMJTQZRZHLSY-JTQLQIEISA-N 286.718 3.525 30 20 CHED CCCCCCN1C(=O)CS/C1=C/C(=O)C(C)(C)C 783553799 YHQMYQWCGPCFNN-GXDHUFHOSA-N 283.437 3.599 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ncnc2sccc12 783815959 ILFGJOHVSMZPEG-GHMZBOCLSA-N 274.393 3.915 30 20 CHED C#CCCCCCC(=O)OC[C@@H]1CCC2(CCCC2)O1 784620222 UGZJSTRXPMODDI-HNNXBMFYSA-N 278.392 3.605 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(O[C@H](C)C#N)cc1 787308757 GEVNMIZCABDELK-GDBMZVCRSA-N 270.376 3.518 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNCCc2ccccn2)cc1 789113890 YXCKKCQOSREARK-SFHVURJKSA-N 293.414 3.846 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc2occc2[nH]1 792530400 IKSPOFNYHONHMA-UHFFFAOYSA-N 294.354 3.979 30 20 CHED Clc1cccc(NN=C[C@H]2CCc3ccccc32)n1 793175709 VNAKUFIGDFSXMM-GFCCVEGCSA-N 271.751 3.863 30 20 CHED CC(C)(C)C1CCC(C=NNc2ncncc2F)CC1 793218240 QWGITKGVAIDXIU-UHFFFAOYSA-N 278.375 3.866 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2cc(C)ccc2F)[C@@H]1C 794519887 IRHQXJRLCFJBNI-VXGBXAGGSA-N 292.354 3.511 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1ccc(F)cc1 794925859 FGTODGCUUWMZOF-ALCCZGGFSA-N 278.229 3.706 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccnn1-c1ccc(F)cc1 794941496 PLYHZVMWJZRQQI-VOTSOKGWSA-N 296.301 3.809 30 20 CHED Fc1cccnc1NN=C1CC[C@@H]2CCCC[C@@H]2C1 794994037 RGNVWNNJNBNZRL-NWDGAFQWSA-N 261.344 3.979 30 20 CHED CCCOc1ccc(COC(=O)c2cc(C#N)oc2C)cc1 797889076 ABWYRYMYRSBENQ-UHFFFAOYSA-N 299.326 3.606 30 20 CHED Cc1cc(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)oc1C 799894661 AXCDMWQWWKSHFK-SNAWJCMRSA-N 299.157 3.833 30 20 CHED C[C@H](C#N)OCCNc1ccccc1SC(F)(F)F 802742413 LWRPDIWNZITXFI-SECBINFHSA-N 290.310 3.639 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](CC)c1ccc(F)cn1 803050553 JZULMIJSCHIPMW-HNNXBMFYSA-N 277.339 3.983 30 20 CHED C#C[C@H](NC(=O)[C@H](C)[C@H](C)CC)c1ccc(Cl)cc1F 804422971 CCCDMJRAXGAYSM-HFAKWTLXSA-N 295.785 3.952 30 20 CHED C#CCOc1ccccc1-c1noc(C(C)(CC)CC)n1 809395433 JIHXVROIIWOLJT-UHFFFAOYSA-N 284.359 3.826 30 20 CHED CC[C@H](OC(=O)c1cc(O)cc(C#N)c1)c1ccccc1 811184270 LDLSDJRJOOKGFH-INIZCTEOSA-N 281.311 3.572 30 20 CHED C#Cc1ccccc1CC(=O)N(C)[C@@H](C)C1CCCCC1 811464448 YJLHHDBCBKPBHO-HNNXBMFYSA-N 283.415 3.638 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1coc2ccccc12 811666152 YWMINXWECUOGRS-CQSZACIVSA-N 294.354 3.824 30 20 CHED CC(=NOCCOC(C)C)c1ccc(C(C)C)cc1 812238776 GAIFJZIJWGERRJ-UHFFFAOYSA-N 263.381 3.976 30 20 CHED Cc1nc(NC[C@@H]2CC2(Cl)Cl)c(Cl)cc1C#N 812453874 WPSBXLGVUZTYMG-QMMMGPOBSA-N 290.581 3.521 30 20 CHED Cc1nc(NCc2ccc(Cl)nc2)c(Cl)cc1C#N 812454663 NHWKHTCKGIIHGT-UHFFFAOYSA-N 293.157 3.576 30 20 CHED N#C[C@@H](NC(=O)C1(F)CCCCC1)c1ccc(Cl)cc1 813122533 AIWCRXWNELOLGM-CYBMUJFWSA-N 294.757 3.693 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1snnc1C 814228783 KZYFHNPGRVBZIZ-UHFFFAOYSA-N 274.393 3.724 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1cccc(C2CC2)c1 814868675 CYUBKEHCVDCZSQ-UHFFFAOYSA-N 285.778 3.870 30 20 CHED CC[C@@H](C)CON=C1CC[C@@H]2CNc3cccc1c32 814939681 YQWSMCUADUPOIX-VXGBXAGGSA-N 258.365 3.756 30 20 CHED CCOc1ccc(NN=Cc2c(F)ccc(O)c2F)cc1 814984045 RREDDPXVHGYATA-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cc(F)cc(F)c1O 815637059 LCWYJXVNXIXLDX-SNVBAGLBSA-N 269.335 3.923 30 20 CHED C#CCCCOc1cccnc1NCc1ccccc1C 820605705 UNEDGJLDDKFQFE-UHFFFAOYSA-N 280.371 3.794 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 826876961 QJNNPYNUIBREJT-CQSZACIVSA-N 285.387 3.761 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1 833310067 MDVAEAJACYAOBT-WAPJZHGLSA-N 288.249 3.559 30 20 CHED Cc1cc(Cl)cc(/C=C2/CCc3c(cnn3C)C2=O)c1 834417520 RLVIOFIVUKMZLR-GHXNOFRVSA-N 286.762 3.594 30 20 CHED Fc1cccc(Cl)c1NN=C1CCOC2(CCC2)C1 834969675 PHGPYBHEERWZTF-UHFFFAOYSA-N 282.746 3.980 30 20 CHED C[C@H](NN=C1CC(C)(c2ccccc2)C1)C(F)(F)F 835001440 OHBGRQYLNDZLJV-NKUHCKNESA-N 270.298 3.635 30 20 CHED CCCCCOc1ccc(C(C)=NNc2ccncn2)cc1 835002288 OCGCTTDCUJEETR-UHFFFAOYSA-N 298.390 3.882 30 20 CHED C[C@H](OC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1ccc(C#N)cc1 835204473 UMSLGXIDMSPZAA-BJKJVOPESA-N 269.344 3.599 30 20 CHED CCCN(Cc1ccc(F)cc1)C(=O)C#CC(C)(C)C 837332861 LDCVNADLEUTHAH-UHFFFAOYSA-N 275.367 3.614 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(Cl)ncc2Cl)C1 839449344 MZKWBNJFHATGNK-RKDXNWHRSA-N 299.157 3.628 30 20 CHED CC(=O)c1ccc(C#N)cc1NC[C@H](C)CC(F)(F)F 840371514 YUDJMJDMDVPUMF-SECBINFHSA-N 284.281 3.761 30 20 CHED Cc1ccc2ncc(CSCCO[C@@H](C)C#N)cc2c1 842184734 VLAZWZZFVROYCE-ZDUSSCGKSA-N 286.400 3.705 30 20 CHED CC(C)c1nccnc1NN=C1CCC(F)(F)CC1 842532258 SCCDJDOYNJTVLU-UHFFFAOYSA-N 268.311 3.577 30 20 CHED C[C@@H]1CC=C(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)CC1 842942523 KNZNYMZGXJJZFW-MFKMUULPSA-N 286.400 3.943 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3c(c2)CCC(C)(C)O3)no1 844552647 SRMNVJXABUMQPZ-GQCTYLIASA-N 297.354 3.983 30 20 CHED C=C[C@H](C)ON=Cc1cnc(C2CCCC2)s1 844621531 ISQQADANDKOTID-JTQLQIEISA-N 250.367 3.726 30 20 CHED C=CCONC(=O)Nc1ccc(N(CCC)CCC)cc1 844796741 BWFUZPDNUMSWFK-UHFFFAOYSA-N 291.395 3.552 30 20 CHED C#CCC1(C(=O)N2Cc3ccc(OC)cc3C2)CCCCC1 847204311 LTXKUQLUFPPWFT-UHFFFAOYSA-N 297.398 3.511 30 20 CHED CCc1ccc(NC(=S)N2CCC[C@@H](CC#N)C2)cc1 849271606 OIFODQZKLYXMQB-AWEZNQCLSA-N 287.432 3.571 30 20 CHED COc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1OC(F)F 850562984 ZAVSWPSVQLKPSS-GHMZBOCLSA-N 296.317 3.791 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2 851143711 NGPXXGDWBSLCRR-DGADGQDISA-N 278.392 3.622 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H]1CCN(c2ccccc2)C1 851185198 RDAFWFNKQKYKLQ-QGZVFWFLSA-N 285.387 3.577 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(Cl)cc1 851212786 BGAUWHBMROEFSZ-SNVBAGLBSA-N 265.740 3.825 30 20 CHED CC(C)n1ccnc1C=NNc1ncc(Cl)cc1Cl 853271643 BVRSOXCPQZJPCP-UHFFFAOYSA-N 298.177 3.612 30 20 CHED CCO[C@H]1CCCC1=NNc1cc(F)cc(Cl)c1 853396141 XLOSLOZEFPRZOH-ZDUSSCGKSA-N 270.735 3.836 30 20 CHED Fc1cc(C=NOCC2CCC2)c2ncccc2c1 853439802 REJLYXWLTAYHMZ-UHFFFAOYSA-N 258.296 3.525 30 20 CHED CCCCCCCCCC(=O)Nc1c(O)n[nH]c1C 854634749 HIKWZMIAWWRISE-UHFFFAOYSA-N 267.373 3.503 30 20 CHED CCCCCCCNC(=O)[C@H](C)c1cccs1 862358395 FZKMULHRVLJUNB-GFCCVEGCSA-N 253.411 3.938 30 20 CHED CCC[C@H](C/N=C/c1cc2ccccc2nc1O)OCC 864345436 WWXXLIUBIUQOCF-CLXYIWAZSA-N 286.375 3.565 30 20 CHED CCCCCCCCCN(C)C(=O)c1[nH]cnc1C 874139763 CZOHDCUSNCYZTP-UHFFFAOYSA-N 265.401 3.541 30 20 CHED C=CCC(CC=C)C(=O)N(CCCC)c1ccncc1 876289494 PVSNKZBPHIFKDH-UHFFFAOYSA-N 272.392 3.983 30 20 CHED C#CCCCCCCNCc1nc(C(F)(F)F)cs1 877057564 INYNKZGZSPIPSB-UHFFFAOYSA-N 290.354 3.835 30 20 CHED CC(=O)[C@@](C#N)(CCN1CCCC[C@@H](C)C1)c1ccccc1 878452457 UWCLLQUUIXOKRO-APWZRJJASA-N 298.430 3.549 30 20 CHED C=CC(C)(C)CC(=O)NCCc1cc2ccccc2o1 878919884 QATAKJMVVKPUEC-UHFFFAOYSA-N 271.360 3.694 30 20 CHED CCC(=O)N(C)c1ccc(NCc2cc(C#N)cs2)cc1 883310427 MIDKNCHVAICUDO-UHFFFAOYSA-N 299.399 3.605 30 20 CHED C=CCC1(O)CCN(c2nc3cccc(C)c3s2)CC1 884724056 HJEGLEQCFYBVTK-UHFFFAOYSA-N 288.416 3.512 30 20 CHED CN(C(=O)Nc1ccc(C#N)cn1)C1CCCCCCC1 889223904 PBITWMFQLSQKMI-UHFFFAOYSA-N 286.379 3.530 30 20 CHED C=C1CCC(C(=O)NCC2(CCOCC)CCCC2)CC1 889506586 OFVPDEZVGGZDQF-UHFFFAOYSA-N 293.451 3.836 30 20 CHED N#Cc1ccc(F)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 891447117 ULYYBJPXDZIJAN-UHFFFAOYSA-N 298.361 3.852 30 20 CHED C#CCN(CC)Cc1sccc1NC(=O)OC(C)(C)C 891806149 XDZCFZSJILQYHE-UHFFFAOYSA-N 294.420 3.550 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc2c(c1)C[C@@H](C)O2 897107560 DCRSTWRUPGSOLT-NWDGAFQWSA-N 258.365 3.750 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1nc(C)c(C)s1 899366656 NMBCLIBKIYMAGG-AWEZNQCLSA-N 299.399 3.512 30 20 CHED CCN(CC)c1ccc(/C=C2\C(=O)c3nccn3[C@@H]2C)cc1 901560002 DATALLOBNYSTRJ-OPCAMPFDSA-N 295.386 3.570 30 20 CHED N#CC1(CCCCOC(=O)CCc2ccco2)CCC1 908693577 ROPHKLJSDKGXMB-UHFFFAOYSA-N 275.348 3.620 30 20 CHED C[C@]1(C(=O)NCCC#C[Si](C)(C)C)C[C@@H]1c1ccccc1 912330249 KUIAZQQOCWMDRF-AEFFLSMTSA-N 299.490 3.567 30 20 CHED C=CCOC(=O)c1cccc(OCc2cccs2)c1 915254016 RULRIIKJWXCAJF-UHFFFAOYSA-N 274.341 3.670 30 20 CHED FC(F)(F)c1ccc(NN=Cc2ccsc2)nc1 915917438 ABQQOYFFQMWPPD-UHFFFAOYSA-N 271.267 3.608 30 20 CHED CC(CCc1ccccc1)=NNc1ccc(C(=O)O)cc1 916240936 WYLURVYGBKKIJI-UHFFFAOYSA-N 282.343 3.805 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cn(C)nc1C 917550713 DRMCIALFICGABQ-CYBMUJFWSA-N 298.434 3.927 30 20 CHED Cc1cccc(NCCCOc2ccc(C#N)cc2)c1 917811630 UYMFRVJFOKPFKR-UHFFFAOYSA-N 266.344 3.748 30 20 CHED CCCCCCCOC(=O)[C@@H]1Cc2ccccc2O1 918493408 SFZRZOCKBNWKQE-HNNXBMFYSA-N 262.349 3.504 30 20 CHED N#C[C@@H](Sc1nc2cc(F)ccc2s1)C1CC1 918872887 YPXIYXIJKUBKEV-LLVKDONJSA-N 264.350 3.830 30 20 CHED CCCCCCCOC(=O)c1ccc2nc(O)oc2c1 920117253 YDIPUFGJSWPNPP-UHFFFAOYSA-N 277.320 3.661 30 20 CHED COc1cccc(/C=N\[C@@H]2CCc3cc(F)ccc32)c1O 920174940 RKKXQSVHEADKEU-SMLKNPDNSA-N 285.318 3.646 30 20 CHED CCCc1ccc(CCCC(=O)N2CCC[C@@H](C#N)C2)cc1 928214636 QHOCMODXIJTEJE-SFHVURJKSA-N 298.430 3.724 30 20 CHED C[C@H](c1ccc2ccccc2c1)N(C[C@H](O)CC#N)C1CC1 929528181 KYDVYVIHZVNGGN-AUUYWEPGSA-N 294.398 3.640 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(F)c(C(C)=O)c1 935919459 HZZTZMRUSLYBBR-NSHDSACASA-N 263.312 3.569 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(OCC#N)cc1 1116140627 OKINIEZHHWIWEH-CHWSQXEVSA-N 289.379 3.535 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccccc1C(F)(F)F 1123539670 UTFGJCXDILJVFU-SNVBAGLBSA-N 271.282 3.849 30 20 CHED CC(C)Sc1ccccc1C(=O)Nc1cccc(C#N)n1 1130316485 RCEAXPBNMLBGBI-UHFFFAOYSA-N 297.383 3.706 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCC[C@H](C(C)C)C2)n1 1162460998 SARZYXAZBLDCJQ-DZGCQCFKSA-N 257.381 3.888 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1ccc(O)c(F)c1)C2=O 1253640647 DJYKZZPUSUNCMN-QPEQYQDCSA-N 298.313 3.807 30 20 CHED C=C[C@H](COC)N[C@@H](CC)c1cccc(Cl)c1F 1255019414 QNDTZIYGORWXDO-MFKMUULPSA-N 271.763 3.721 30 20 CHED CSc1ccc(NC2CC(C#N)(c3ccccc3)C2)nc1 1255466757 ANYDJWVBIPRRLP-UHFFFAOYSA-N 295.411 3.839 30 20 CHED CCC[C@](C)(CC)c1nnc(COc2ccccc2C#N)o1 1261573168 LILANHUXXNPATO-KRWDZBQOSA-N 299.374 3.988 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2F)c1 1264224343 VBYGNMGIBHBMAN-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc(Cl)s1 1266647664 WKKSODGPXXELET-UFBFGSQYSA-N 271.769 3.946 30 20 CHED CC[C@](C)(NC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 1287667144 RLLWYARSSDRLMG-SFHVURJKSA-N 296.345 3.753 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)CCC(C)C 1293066114 XTACQJBEFNCRQE-HOTGVXAUSA-N 278.440 3.991 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(OCC#N)cc1)C(C)C 1318314862 IETXKKZAEYUIFJ-ZDUSSCGKSA-N 274.364 3.600 30 20 CHED COc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1C#N 1318813816 HHHDBVHYILKIFG-UHFFFAOYSA-N 299.761 3.975 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1ccc(F)cc1)C1CC1 1320079733 WRLKONSPRVFQCF-HNNXBMFYSA-N 276.355 3.637 30 20 CHED C=CCn1cnnc1S[C@@H]1CCCc2ccccc21 1322970893 CBOBILSJQGGKMD-CQSZACIVSA-N 271.389 3.634 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1cc2ccccc2[nH]1 1326983325 LNALMQLQEJXFKY-AWEZNQCLSA-N 285.391 3.664 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)c1noc(C)n1 1329851922 WNYUEYRDVRVQNZ-VXGBXAGGSA-N 253.390 3.778 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cn1cc(C)c2ccccc21 1337282873 VWLGYFZXGWQKQA-OAHLLOKOSA-N 284.403 3.811 30 20 CHED C=C(C)CCC(=O)NC1(c2ccc(F)cc2)CCC1 1338819918 QRYHSRAPLUPBFX-UHFFFAOYSA-N 261.340 3.677 30 20 CHED CC[C@@H](CC(=O)Nc1cnc(Cl)cc1C#N)C(C)C 1338911803 JAWVGBAVCGGGQA-JTQLQIEISA-N 279.771 3.617 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1cccc(O)c1 1339511392 GORSCRRMVYVUFG-NTMALXAHSA-N 264.324 3.777 30 20 CHED N#Cc1ccccc1CSCc1cn2ccccc2n1 1340108741 AIMGUHDDNZITTL-UHFFFAOYSA-N 279.368 3.639 30 20 CHED N#CC1(COC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)CCCCC1 1344697941 KOZWZWOPZQAZAK-IXDOHACOSA-N 295.382 3.590 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@H]1c1ccncc1)c1ccccc1 1347290725 PRUSHUDAFJHVBD-MSOLQXFVSA-N 292.382 3.715 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2nc(C)ccc2o1 1347521415 IKNPHZWTJUGQPM-CYBMUJFWSA-N 284.359 3.707 30 20 CHED Cc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1347986189 YZSGVVAVRVJLHR-INIZCTEOSA-N 264.328 3.631 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@H]1CC[C@@H](C#N)C1 1357639895 UGISZTZWUNSYLT-OLZOCXBDSA-N 283.327 3.519 30 20 CHED C[C@H](N(C)c1nc(C(C)(C)C)ccc1C#N)C1(C)CC1 1458235457 XWBHHDLCQTZYSH-LBPRGKRZSA-N 271.408 3.876 30 20 CHED Cc1nc(NCC2(OC(C)C)CCCCC2)ccc1C#N 1458239326 WGQHFKIMVCPKQU-UHFFFAOYSA-N 287.407 3.802 30 20 CHED Cc1ccc(C#N)c(NCC2(C)CCC(C)CC2)n1 1458355213 MBQZVYGFCYOMPO-UHFFFAOYSA-N 257.381 3.890 30 20 CHED Cc1ccnc(N[C@@H]2CCCc3c(F)cccc32)c1C#N 1458409326 YMUFZPBKXAECKQ-MRXNPFEDSA-N 281.334 3.890 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)c1cccc(C)c1 1459676734 IRQCSKALNSLGKL-UHFFFAOYSA-N 280.371 3.902 30 20 CHED CC(C)CC1(CNC(=O)Nc2cc(C#N)ccc2F)CC1 1476715233 OFJHSSSYAVFCHZ-UHFFFAOYSA-N 289.354 3.645 30 20 CHED C=CCn1c([C@H]2CC=CCC2)nnc1N1CCCC2(CC2)C1 1520556246 YTWKRKODBQVLAU-HNNXBMFYSA-N 298.434 3.668 30 20 CHED C[C@@H](CCNC(=O)c1ccc(C#N)cc1F)c1ccccc1 1524364658 ODGZQNHNAWUUPA-ZDUSSCGKSA-N 296.345 3.621 30 20 CHED CCCCN(CCCC)C(=O)c1ccc(C#N)cc1OC 1524846298 YXGHALRCDQBVNF-UHFFFAOYSA-N 288.391 3.609 30 20 CHED CC(C)CC(C)(C)CNC(=O)[C@@H](CC#N)c1ccccc1 1534028233 YJBSHGZXIOXDSR-INIZCTEOSA-N 286.419 3.872 30 20 CHED C=CC[C@@H]1CC[C@H](N[C@H]2C[C@H](C(=O)O)c3ccccc32)C1 1588457970 NOVDNHFJFZVQFT-OQUILHJVSA-N 285.387 3.634 30 20 CHED C=C(C)C[C@@H](NC(=O)CC(C)(C)C1CCCCC1)C(=O)O 1588540485 HNGFQHFWEJXKFE-CQSZACIVSA-N 295.423 3.519 30 20 CHED C=CCC1(NCc2cc(C)c(C(=O)O)o2)CCCCC1 1588769323 SEFPMRNKTGPWGG-UHFFFAOYSA-N 277.364 3.655 30 20 CHED CC[C@@H](C)[C@@H](Sc1cccc(C#N)c1Cl)C(=O)O 1594929489 SPIOSWBDWBWSTL-PRHODGIISA-N 283.780 3.803 30 20 CHED CCC(CC)CN(CCC#N)C[C@@H]1CCCC[C@@H]1C(=O)O 1595111616 QNLRSKWINARSPP-HOTGVXAUSA-N 294.439 3.529 30 20 CHED O=C(/C=C/c1ccoc1C(=O)O)c1ccc(Cl)s1 1601242791 GLAFHWYKUZTBPM-OWOJBTEDSA-N 282.704 3.589 30 20 CHED C[C@H]1CC[C@H](CSc2ccc(Cl)cc2C#N)O1 1613583945 BSKOERJROJXJCM-JOYOIKCWSA-N 267.781 3.871 30 20 CHED CCCC[C@@H](C)N(C)c1ncc(Cl)c(C)c1C#N 1639994431 WGTVQEHCPJSAKQ-SNVBAGLBSA-N 265.788 3.930 30 20 CHED Cc1cc(N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)ncc1C#N 1650801560 RMKXFYZNQJIKHN-RCBQFDQVSA-N 269.392 3.667 30 20 CHED C[C@]1(Cc2ccccc2F)CCCN1c1cccc(C#N)n1 1651180488 XHIPQJQTGDMXCT-GOSISDBHSA-N 295.361 3.694 30 20 CHED Cc1nc(N2CC3(CCC3)c3ccccc32)ccc1C#N 1651741711 QAMLIHRPHQTXLA-UHFFFAOYSA-N 275.355 3.835 30 20 CHED CC(C)COc1ccc(CCNc2ccnc(C#N)c2)cc1 1655111741 JJVWDFRBBMFYFA-UHFFFAOYSA-N 295.386 3.643 30 20 CHED C[C@@H]1[C@@H](CNC(=O)Nc2ccc(C#N)cc2)CCC[C@H]1C 1666946747 XJSAEHAWYUBNFX-VNHYZAJKSA-N 285.391 3.752 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2cc(C#N)ccc2F)C1 1672625812 YLIASWLNLBHMGL-AAEUAGOBSA-N 289.354 3.788 30 20 CHED O=C(O)c1ccc(NN=Cc2csc(Cl)c2)cc1 1776014080 FPSNADWKFSFYHU-UHFFFAOYSA-N 280.736 3.546 30 20 CHED O=C(O)c1cc(NN=C2C[C@H]3CCCC[C@@H]3C2)ccc1F 1776064620 WTHKMCAMYBIUTJ-GHMZBOCLSA-N 290.338 3.892 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(C(=O)O)s1 1777465324 QAYRVZDSOMLUIS-VURMDHGXSA-N 272.325 3.651 30 20 CHED CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 5868092 VBHNPMSYAHEEHK-CYBMUJFWSA-N 294.354 3.527 30 20 CHED C[C@H]1CCc2sc(C(=O)Nc3cccc(C#N)c3)cc2C1 7265463 RJDJLRWSADNVSN-NSHDSACASA-N 296.395 3.997 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(CC#N)cc2)c1 15499236 DZJAOJPNBAZTKK-CQSZACIVSA-N 293.370 3.500 30 20 CHED CCc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 41545477 RKRAEFMJNNIFAE-CQSZACIVSA-N 290.322 3.880 30 20 CHED C=C(Cl)CSc1nnc(C)n1-c1ccccc1C 43462269 NOKPSBSYHGBEHV-UHFFFAOYSA-N 279.796 3.729 30 20 CHED C#CCOc1ccccc1CNCc1cccc(Cl)c1 48241878 RSMPOLMBTKIRDW-UHFFFAOYSA-N 285.774 3.642 30 20 CHED CC(C)Cc1ccc(C(=O)C2CCN(CCC#N)CC2)cc1 51372828 JBYWPNDDYIRKIJ-UHFFFAOYSA-N 298.430 3.693 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)c1sccc1C#N 52036266 MCYFBTWFPYIGNR-HNNXBMFYSA-N 296.395 3.906 30 20 CHED CCCCCCCCNc1ccc(S(C)(=O)=O)cc1 59088955 GXSWKSKVAXDRQR-UHFFFAOYSA-N 283.437 3.863 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1(C#N)CCCCC1 65775988 DLZBRINGXUIHHD-UHFFFAOYSA-N 296.414 3.718 30 20 CHED CC(C)COc1cccc(CNCc2cccc(C#N)c2)c1 67252193 MFZAPXKENGWZQB-UHFFFAOYSA-N 294.398 3.883 30 20 CHED CC[C@H]1CCC[C@@H](NCc2ccc(OCC#N)cc2)C1 68592128 LNBGZJWWJYEBDP-GOEBONIOSA-N 272.392 3.647 30 20 CHED CCN(CCCSCC#N)Cc1ccc(Cl)s1 74980675 SNQIKKMNAVQHSZ-UHFFFAOYSA-N 288.869 3.870 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC[C@@H]1CC[C@@H](C)O1 75198591 XAKAWPNALQNULW-ZBFHGGJFSA-N 294.439 3.513 30 20 CHED CC(C)[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCS1 76063705 AGWBZVYHRXXYQV-XJKSGUPXSA-N 274.433 3.693 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1ccc([N+](=O)[O-])cc1 78560767 UWCUFYNPEFKBGK-RMKNXTFCSA-N 289.237 3.769 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1ccc2c(c1)OCO2 78560856 PGBCJSHSHGQUTK-GQCTYLIASA-N 288.249 3.590 30 20 CHED N#CCC1(CNc2ccc(C(F)(F)F)cc2)CC1 88249468 LQYGCWBRPVGULW-UHFFFAOYSA-N 254.255 3.811 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCc2c(O)cccc21 89527374 CLTIDRQTYKMWLR-OAHLLOKOSA-N 268.291 3.502 30 20 CHED CCN(Cc1cc(C#N)cs1)[C@@H](C)c1cccc(O)c1 91975320 VYCOLWWUUHETFF-LBPRGKRZSA-N 286.400 3.908 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CC/C1=C/c1cccc(O)c1 96766277 ZWTZKZDFAIDISY-VULZFCBJSA-N 292.334 3.928 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@@H](O)c1ccccc1 103906574 LICUUHGZDORSAJ-FUNKKEAFSA-N 291.350 3.698 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(F)cc2OCC)CC1 111728131 HDYWAVPFJVYTGO-UHFFFAOYSA-N 292.354 3.654 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 116806788 IACGJRTZTXGJIM-APPDUMDISA-N 299.349 3.509 30 20 CHED C=CC[C@@H](C)NC(=O)c1oc2c(C)cccc2c1C 116853307 SCQTUZHKXAPUFH-LLVKDONJSA-N 257.333 3.744 30 20 CHED C=CCCCSc1nnc(-c2ccccc2C)n1C 117548253 OOVKRLLLVQDKIY-UHFFFAOYSA-N 273.405 3.849 30 20 CHED C=CCCCSc1nnc(-c2sc(C)nc2C)o1 117550629 JIHLVSQBGGQBPB-UHFFFAOYSA-N 281.406 3.868 30 20 CHED C#CCCCCC(=O)N[C@H]1CCSc2ccccc21 119499473 VWSRRSLVCPLLQD-AWEZNQCLSA-N 273.401 3.533 30 20 CHED CN(Cc1cnn(-c2ccccc2)c1)CC(C)(C)CCC#N 121364570 OWGVYGSRAIUMSC-UHFFFAOYSA-N 296.418 3.634 30 20 CHED CCCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 121425309 NRNJXZLKDSHMTI-UHFFFAOYSA-N 299.399 3.734 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)Cc1ccccc1Cl 125249663 NSTKDYFXEHHUKY-ZDUSSCGKSA-N 295.810 3.670 30 20 CHED N#Cc1cccc(SCc2ccc(Cl)cc2)n1 125582645 CJVYYUPHKPOQJC-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC(C)OC1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 130130802 PWZCCRCPYUAGOU-UHFFFAOYSA-N 293.798 3.755 30 20 CHED CC1(C(=O)Nc2ccc(F)cc2OCC#N)CCCCC1 130333575 JGWAVJWOKLBWNZ-UHFFFAOYSA-N 290.338 3.637 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CC)Cc1ccccc1 130375033 KMFGZCQDCUGRJC-QGZVFWFLSA-N 271.404 3.892 30 20 CHED COc1ccccc1CN[C@@H](CCC#N)c1ccccc1 130517579 GYLKLWSOJHROHR-KRWDZBQOSA-N 280.371 3.830 30 20 CHED CN(Cc1cc(F)ccc1F)Cc1cc(C#N)ccc1F 132552851 QTQXPKTYEKVMMB-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](C)SC)c1ccccc1 133982369 ZXTBSVONWIBPQU-TZMCWYRMSA-N 263.406 3.562 30 20 CHED C=C(Cl)CNCc1ccc(-c2ccc(F)cc2)o1 134792267 YRBXGJSGVAVIJK-UHFFFAOYSA-N 265.715 3.928 30 20 CHED N#Cc1cccc(N[C@@H]2Cc3ccc(Cl)cc3C2)c1 134843196 QJFYTSPENVOBLN-MRXNPFEDSA-N 268.747 3.791 30 20 CHED COc1ccc(C#N)cc1CSCc1nc(C)cs1 151516157 UBEJGXOVERTBFZ-UHFFFAOYSA-N 290.413 3.765 30 20 CHED N#CCC[C@@H](NC(=O)c1cccs1)c1ccccc1 153517626 GELBSULMNAGSOP-CYBMUJFWSA-N 270.357 3.523 30 20 CHED C[C@@H](OC1CCCCCC1)C(=O)Oc1ccc(C#N)cc1 155703076 WYISVPUSNAMBJL-CYBMUJFWSA-N 287.359 3.592 30 20 CHED C#CCCCCNC(=O)C[C@H](c1ccccc1)C(F)(F)F 156545646 CVAKUSSNAPMAFR-CQSZACIVSA-N 297.320 3.642 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H](C)c1cccs1 158879001 RCDAJKBMPJQTJW-ZDUSSCGKSA-N 278.421 3.640 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1-c1nnc(C)o1 160044310 VLJTVWOYNXVQTE-UHFFFAOYSA-N 297.358 3.752 30 20 CHED C=C[C@H](CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1 160119386 YTZZQGGSYNOAEQ-MRXNPFEDSA-N 290.366 3.881 30 20 CHED COc1cc(C)ccc1OCc1ccc(CC#N)cc1 163608248 VAOHPEKONNJBSK-UHFFFAOYSA-N 267.328 3.649 30 20 CHED Cc1cc(N[C@H](CCC#N)c2ccccc2)nc(C)n1 164331086 FCCGGXMJJZPSDS-OAHLLOKOSA-N 266.348 3.550 30 20 CHED CCN(CCCOC(C)C)[C@H](C)c1ccc(C#N)cc1 171499935 VPPORJGYIFQOTN-OAHLLOKOSA-N 274.408 3.756 30 20 CHED CN(CCC#N)c1ccc(CN[C@@H]2CCCC2(C)C)cc1 175868280 LEPLCGXWGXTWNC-QGZVFWFLSA-N 285.435 3.705 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2OC(C)C)o1 176142371 KXUYZRYUQKDPKR-UHFFFAOYSA-N 298.342 3.808 30 20 CHED CCOc1cccc([C@@H](C)NCc2ccc(C#N)s2)c1 176958397 ZYNIACPWVQIANW-GFCCVEGCSA-N 286.400 3.869 30 20 CHED CC(C)(C)c1nc(CSc2cccc(C#N)c2)no1 177096823 VWHBQEOEOVYBHV-UHFFFAOYSA-N 273.361 3.531 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1CCCSCC#N 177545320 MEGILSCARAJWOB-ZBFHGGJFSA-N 274.433 3.511 30 20 CHED C=CCCCC(=O)Nc1cc(OC)ccc1Br 177793669 XLOJUSQBRLGCJY-UHFFFAOYSA-N 298.180 3.753 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2C)ccc1F 178387154 RYGIJIHFRPZXMD-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(C)nc1)c1ccccc1 179383754 LETNFRAIADICDI-CQSZACIVSA-N 266.344 3.688 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C#N)cs1)CCC2 179751692 XDHTWSRBYGKPDE-OAHLLOKOSA-N 296.395 3.736 30 20 CHED COC(=O)c1ccc(F)c(CSCCCCC#N)c1 180762047 CEEIDXADJQPIGQ-UHFFFAOYSA-N 281.352 3.539 30 20 CHED CC(=O)[C@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 181061766 NXCJMWHDXFGXQC-QMMMGPOBSA-N 273.279 3.647 30 20 CHED C=C[C@@H](CC)OC(=O)Cc1c[nH]c2cc(C)ccc12 181206591 PMDVXVJJLJQZNX-ZDUSSCGKSA-N 257.333 3.527 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccnc(Oc2ccccc2)c1 181733612 PRCUAUPKDRAKSM-UHFFFAOYSA-N 297.358 3.914 30 20 CHED CC#CCCCC(=O)NCCCSc1ccc(F)cc1 184980789 FTYLEKDBRMFWEP-UHFFFAOYSA-N 293.407 3.618 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1cccc(C)c1 185244261 YXPMQYGJMHFRMB-QGZVFWFLSA-N 269.388 3.852 30 20 CHED CC#CCCCC(=O)Oc1ccccc1SCC 185813854 BTRNWWICJIYIDL-UHFFFAOYSA-N 262.374 3.898 30 20 CHED C#CCOc1ccccc1NC(=O)c1ccc(SC)cc1 187204486 PDYZBZCNQATQMN-UHFFFAOYSA-N 297.379 3.673 30 20 CHED Cc1cc(C)c(C#N)c(SC[C@H]2CCC(C)(C)O2)n1 187656054 CPTMOOUKGYMPTN-GFCCVEGCSA-N 276.405 3.620 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CCSCC 188916084 VMIFKUAXBAWPCR-JSGCOSHPSA-N 257.443 3.579 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)N[C@@H](C)CC#N)c1C 189137041 DMRRNYSWFAWQRL-NSHDSACASA-N 282.343 3.595 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(C(F)(F)F)c(F)c1 189825036 MKCAAMJQPITBMF-QMMMGPOBSA-N 275.245 3.539 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 190477579 NWWXYGWKYKNLFJ-ZBEGNZNMSA-N 290.363 3.670 30 20 CHED C=CC1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 191565747 GSROOWGFQMWQFX-UHFFFAOYSA-N 269.388 3.992 30 20 CHED CCCCO[C@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 194554607 XMSVNFCAMZTZQS-CYBMUJFWSA-N 288.391 3.631 30 20 CHED C=CCCC(=O)N1CCC[C@H]1/C=C/c1ccccc1 212837600 UYRNNSUKIRRBDZ-DBTPVHCXSA-N 255.361 3.657 30 20 CHED CC(C)C(C)(C)CNc1c(C#N)nnc2ccccc12 218912340 QRFXBYVMEITBIR-UHFFFAOYSA-N 268.364 3.596 30 20 CHED N#Cc1ccc(N[C@@H]2CCCSC2)cc1Br 228196234 SZODPIJKNBCLFJ-LLVKDONJSA-N 297.221 3.628 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCC2(CCCCC2)O1 229273109 MGYAZKVDTMSQHU-ZDUSSCGKSA-N 288.366 3.991 30 20 CHED C[C@@H]1CCC[C@H](c2noc(Cc3ccc(C#N)cc3)n2)C1 230997510 GNWJEMWKCSRVRS-DOMZBBRYSA-N 281.359 3.826 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1nccc(C#N)c1Cl 233838485 IRXFSVWSZBIDGH-ZJUUUORDSA-N 251.761 3.843 30 20 CHED CCC(CC)[C@H](CNCc1cccc(C#N)c1)N1CCCC1 236696451 GGWSRSXSMJERBW-IBGZPJMESA-N 299.462 3.548 30 20 CHED CC[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 245700192 DAHNJTYGYPTJRL-CVEARBPZSA-N 286.419 3.990 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2nccs2)C1 249037856 TWBFNUXAKAXXQL-KBMXLJTQSA-N 297.427 3.904 30 20 CHED C/C(=C/C(=O)N1CCC(C#N)CC1)c1cccc(Cl)c1 255295884 SDFOKMIJZLJIPH-XFXZXTDPSA-N 288.778 3.505 30 20 CHED C/C(=C/C(=O)O[C@H](C#N)C1CC1)c1ccccc1Cl 255475817 XXNVYIJOWNBADL-QQBNSCQMSA-N 275.735 3.589 30 20 CHED N#Cc1csc(/C=C\C(=O)c2ccc(F)c(F)c2)c1 255637399 GKIWUZUOPOXKBW-RQOWECAXSA-N 275.279 3.794 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)C(C)(C)C 265237553 IQOFYGDICBZARH-AWEZNQCLSA-N 284.403 3.755 30 20 CHED N#CCCCNCc1cccc(OCc2ccccc2)c1 273032607 GOFQYIKOIIBPSN-UHFFFAOYSA-N 280.371 3.659 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N[C@@](C)(C#N)C(C)(C)C 274313531 IQRGSDODLNDZJF-KSSFIOAISA-N 286.419 3.933 30 20 CHED CC(C)Oc1ccc([C@@H](C)NC(=O)CC(C)(C)C#N)cc1 278645156 ZOSPFBTUXPPZJX-CYBMUJFWSA-N 288.391 3.591 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1cccc(OCC#N)c1 279560127 BGJQIVFRIBRPOE-MRXNPFEDSA-N 274.364 3.744 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccccc1 281097427 XXFSNNXGYPUKAW-MDZDMXLPSA-N 254.333 3.669 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc2c(c1)CCC(=O)N2 287249541 ZKIWOULDCIZBJC-ZDUSSCGKSA-N 299.418 3.552 30 20 CHED C=C(C)Cn1c(C)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 291030387 NIUWJZOHYQPUBK-RHSMWYFYSA-N 296.418 3.545 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 291373292 DIBNXRNYEMKBGB-CABCVRRESA-N 272.392 3.625 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 298272574 BJIDYYMRYQFVNT-OAHLLOKOSA-N 299.418 3.835 30 20 CHED C[C@H](c1ccccc1)N(C)c1cccc(F)c1C#N 301067727 KCXITKXGWDVPPY-GFCCVEGCSA-N 254.308 3.895 30 20 CHED Cc1ccc(C(C)(C)CNc2nnc(C)c(C)c2C#N)cc1 301183541 IQVLFICKSIQQJU-UHFFFAOYSA-N 294.402 3.663 30 20 CHED CSCCN(C)c1c(C#N)cnc2ccc(Cl)cc12 301542197 CPWYNTJHNLHMQZ-UHFFFAOYSA-N 291.807 3.559 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1[C@H]2c3ccccc3C[C@H]21 301674635 BMUFWMVLHXBOSM-JOQOYGCGSA-N 278.330 3.695 30 20 CHED N#Cc1ccc(N[C@H]2CCCOc3cc(Cl)ccc32)nc1 301991566 GCXCZASBCJMWOZ-AWEZNQCLSA-N 299.761 3.932 30 20 CHED CCC[C@@H]1CCCCN1c1ccc(Cl)c(C#N)n1 302143150 PVXUOZOTRBZYBM-LLVKDONJSA-N 263.772 3.766 30 20 CHED C=C(Cl)CN1CCC[C@@H]1c1ccc(OC)cc1 302746035 GKCUTJKQUDNYQW-CQSZACIVSA-N 251.757 3.585 30 20 CHED CCc1cccc(N/C(N)=N/Cc2ccc(C)cc2C)c1 303900141 SBGQDMCTTCXWMA-UHFFFAOYSA-N 281.403 3.793 30 20 CHED Cc1cc(C#N)cc(N[C@H](C)Cc2ccc(O)cc2)c1 308158842 VZNPGPXBYNZJGR-CYBMUJFWSA-N 266.344 3.615 30 20 CHED C=CC[C@@H](CC)NCc1sccc1Br 308589385 JRSZMJCUFWVQDG-SECBINFHSA-N 274.227 3.955 30 20 CHED CC[C@@H]1CCN(Cc2ccc(Br)cc2C#N)C1 310353790 HPPOMUHBFNFXLO-LLVKDONJSA-N 293.208 3.553 30 20 CHED COc1ccccc1C[C@H](C)Nc1cccc(CC#N)c1 313421025 AVHFZMYMSQMZQM-AWEZNQCLSA-N 280.371 3.804 30 20 CHED CC(C)(CCNc1ccc(C#N)c([N+](=O)[O-])c1)C1CC1 328567152 NNGCSWDXBWYKEK-UHFFFAOYSA-N 273.336 3.705 30 20 CHED OC1=NCCc2c1ccc(N=C(O)[C@H]1CC=CCC1)c2F 328915918 QZSGWTALJVEMSM-JTQLQIEISA-N 288.322 3.631 30 20 CHED Cc1cc(C)n(-c2cccc(N=C(O)C[C@H]3CCOC3)c2)n1 329776204 JURRSXAWGZHLPX-CQSZACIVSA-N 299.374 3.504 30 20 CHED O=C(O)C1(C/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 329946656 YAXZRNRONCUJIA-MELADBBJSA-N 293.407 3.947 30 20 CHED CC(C)c1ncc(N=C(O)[C@H]2CC23CCCC3)cn1 330067877 UWRPYKSEBAGDCR-GFCCVEGCSA-N 259.353 3.768 30 20 CHED CO[C@@H]1CC[C@@H](/N=C(/O)Nc2cc(SC)ccc2C)C1 330977363 FQOYLVQHQJBDSB-VXGBXAGGSA-N 294.420 3.610 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)c(Cl)c1Cl 332015791 USPBYAQOSHEMOM-CQSZACIVSA-N 297.185 3.724 30 20 CHED N#CCC1CCN(C(=O)Nc2ccccc2C(F)F)CC1 335548814 FEXKMFGYWCTRSR-UHFFFAOYSA-N 293.317 3.782 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(-c2ncco2)cc1 335681486 JPFBKCLZJYTEFU-HNNXBMFYSA-N 297.358 3.914 30 20 CHED N#Cc1cscc1C(=O)N1C[C@H]2CC[C@H]1c1ccccc12 336383941 COVJHTBOXLYSFC-BZNIZROVSA-N 294.379 3.694 30 20 CHED N#Cc1cnc(NC[C@@H]2CCCC(F)(F)C2)c(Cl)c1 336940627 XUUQPPVWWFVUID-SECBINFHSA-N 285.725 3.844 30 20 CHED CCc1ccccc1[C@@H]1C[C@@H]1C(=O)N(CCC#N)CC1CC1 338535033 HPSLJZTTWHVKJL-ROUUACIJSA-N 296.414 3.505 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1cccc(SC)c1)OCC 339196587 BJPCAYBPOTUJCT-OAHLLOKOSA-N 293.432 3.743 30 20 CHED Cc1ccnc(CNc2ccccc2SC[C@@H](C)C#N)n1 339412351 NEWBKBCSFUMKRA-LBPRGKRZSA-N 298.415 3.649 30 20 CHED N#Cc1ccccc1NC(=O)C[C@@H]1C[C@H]1c1ccccc1 340710141 GDEINSBDTLZSTQ-HOTGVXAUSA-N 276.339 3.691 30 20 CHED CC[C@@](C)(C#N)C(=O)N(Cc1ccccc1)CC(C)C 341028963 SSKNCUBPSNVBOX-KRWDZBQOSA-N 272.392 3.611 30 20 CHED C=CC[C@@H](CC)NC(=O)c1sc(C)nc1CC(C)C 341653991 QWQKSDSODYPTGH-GFCCVEGCSA-N 280.437 3.735 30 20 CHED Cc1cc(C)cc(C[S@](=O)Cc2ccc(CC#N)cc2)c1 342136964 ORSJCAPOJCAKIN-OAQYLSRUSA-N 297.423 3.818 30 20 CHED Cc1cc(NC[C@@H](c2cccnc2)C(C)C)cc(C#N)n1 342510144 MBBFMSOBZGDVPJ-QGZVFWFLSA-N 280.375 3.508 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 343845859 XTFVOGNZTIOOHB-SNVBAGLBSA-N 287.281 3.625 30 20 CHED C[C@@H](SCC1(C#N)CC1)c1nc(-c2ccccc2)no1 344481207 GWOXKYDNBRPAMG-LLVKDONJSA-N 285.372 3.835 30 20 CHED COc1ccc(F)cc1CN(CCC#N)CC(C)(C)C 346328925 UENXLRYIZWDFNL-UHFFFAOYSA-N 278.371 3.596 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2ccc(F)c(C#N)c2)C1 346382467 VMZJIYVZFYIKMF-KRWDZBQOSA-N 288.366 3.740 30 20 CHED C=C(C)CN(C)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 346564372 NELSRDSUXZMUAZ-CYBMUJFWSA-N 270.376 3.696 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1cccnc1 346979587 MGWCBNJFDZAISW-KRWDZBQOSA-N 297.789 3.944 30 20 CHED C=CCCC(=O)N1CC2(CCCC2)c2cccc(F)c21 347211576 SWWGOUWUOSDRCW-UHFFFAOYSA-N 273.351 3.950 30 20 CHED Cc1c([C@@H](C)NCC2(C#N)CC2)oc2ccccc12 348006415 NCIQAVNOTSBLCW-GFCCVEGCSA-N 254.333 3.696 30 20 CHED Cc1ncc(CNc2ccccc2S[C@@H](C)CC#N)cn1 349735018 WUOCURXBGSPFFH-LBPRGKRZSA-N 298.415 3.791 30 20 CHED CC(C)(C#N)CCCOc1ccccc1-n1cccn1 349999530 DIZYSOVUTFDEEC-UHFFFAOYSA-N 269.348 3.581 30 20 CHED C=CCN(C(=O)[C@H]1CC(=O)c2ccccc21)c1ccccc1 355484589 KHUNBKXJPOXLNR-KRWDZBQOSA-N 291.350 3.576 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)C1CCC1 357006308 BITITQIVBNLVJF-LBPRGKRZSA-N 271.364 3.519 30 20 CHED COC1(c2noc(/C=C\c3ccccc3C#N)n2)CCCC1 359113532 FMTSIRARHJCRGN-HJWRWDBZSA-N 295.342 3.527 30 20 CHED CO[C@](C)(CN[C@H]1CCCCc2cc(C#N)ccc21)C1CC1 361002171 IHUUUNUDTQYSSG-RBUKOAKNSA-N 298.430 3.730 30 20 CHED Cc1cc2cc(C(=O)Nc3ccncc3C#N)oc2cc1C 361727691 HMWGRDLVOKMPIY-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C=C[C@@H](C)NC(=O)c1cnc2ccccc2c1C(F)(F)F 362613401 KLIUTECYXFXCAR-SECBINFHSA-N 294.276 3.558 30 20 CHED N#Cc1ccncc1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 369720100 DZQHAOBYIGFKSK-NNUKFRKNSA-N 285.297 3.590 30 20 CHED C[C@H](CN1CCC(CCC#N)CC1)c1ccccc1 399479171 YVJRJMVUFSHYJM-OAHLLOKOSA-N 256.393 3.806 30 20 CHED CC[C@@H](CNCc1ccc(C#N)c(F)c1)CC(F)(F)F 404144367 IPIMOTBFKCYNIB-SNVBAGLBSA-N 288.288 3.766 30 20 CHED C=CCCCN(C)C[C@H]1CCC2(CCCCC2)O1 409445457 LWPZSYVUYMUNNN-OAHLLOKOSA-N 251.414 3.766 30 20 CHED C=CC1CCN(C(=O)C2(c3ccccc3C)CCC2)CC1 409501673 MIQXYXWXZBTPBV-UHFFFAOYSA-N 283.415 3.841 30 20 CHED C[C@@H](CCC#N)N1CCCc2c([nH]c3c(F)cccc23)C1 411673595 LAJOCEQTRJSXAW-LBPRGKRZSA-N 285.366 3.747 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)CC(F)F 413277179 ZZKCMGLUKQXEMZ-LBPRGKRZSA-N 294.345 3.587 30 20 CHED C[C@@H]1C[C@@H](CNc2ccc(C(F)(F)F)cc2C#N)[C@@H](C)O1 413543160 XNIDCTSUBPYJKY-FOGDFJRCSA-N 298.308 3.802 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)C(C)C 413822891 LTHCJYSQNNTUBU-WBVHZDCISA-N 288.435 3.860 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC=C(C)C1 413840061 UYQSWVSKDYIAHA-KRWDZBQOSA-N 284.403 3.535 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H](C)C(C)C 415036611 FPCUAJMUWXDPLI-RRQGHBQHSA-N 284.403 3.555 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 417351663 SLNJQCVIVAOYMV-AHDPXTMNSA-N 277.433 3.563 30 20 CHED Cc1cc(F)c(CNCC2(C#N)CCC2)c(Cl)c1 418141009 KJJUDLXHUJZSQY-UHFFFAOYSA-N 266.747 3.571 30 20 CHED N#CC1(COc2ccc(OCC3CC3)cc2)CCC1 418849439 AWSIBKGHXGKUGW-UHFFFAOYSA-N 257.333 3.548 30 20 CHED N#Cc1ccc(CSCC[C@@H]2CCOC2)c(Cl)c1 419530762 KQZQMKHMXWNMRT-NSHDSACASA-N 281.808 3.871 30 20 CHED CC(C)(C)CN(CC(C)(C)C)C(=O)NCC1(C#N)CCC1 419619050 ANHMDNVRCPOQAA-UHFFFAOYSA-N 293.455 3.784 30 20 CHED C=CCn1c2c(c(=O)c3ccc(Cl)cc31)CCCC2 421191400 TVUFPVRORIETFV-UHFFFAOYSA-N 273.763 3.720 30 20 CHED Cc1c(NC(=O)CCCC(C)C)ccc(C#N)c1C#N 421555827 ISBOTPSKVDQESB-UHFFFAOYSA-N 269.348 3.503 30 20 CHED C=CCCCC(=O)N[C@@H](CC(F)F)c1ccccc1 421698811 LPTYGNUBQHXDGK-ZDUSSCGKSA-N 267.319 3.855 30 20 CHED CC(C)c1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)on1 425130821 OTGMELSURWQPPE-LBPRGKRZSA-N 297.358 3.503 30 20 CHED CC(C)c1nccc(N(C)[C@H](C)c2cccc(C#N)c2)n1 425283746 POEMHTCGSNWGGL-CYBMUJFWSA-N 280.375 3.669 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425650101 KQKBVDNEOSTQFP-LJISPDSOSA-N 291.439 3.583 30 20 CHED FC(F)(F)c1ccc(C#CCN2CC[C@@H]3CCC[C@H]32)cc1 426468383 FOXRUYJNJJQSPH-GOEBONIOSA-N 293.332 3.931 30 20 CHED C=C[C@H]1CCCCN1CC1=Cc2ccccc2OC1 426562139 ZRHWURCWDVPRQM-INIZCTEOSA-N 255.361 3.503 30 20 CHED CCc1ccc([C@@H]2CCN(c3ccc(C#N)cn3)C2)cc1 431506940 KAVRDOJRLPEXBW-QGZVFWFLSA-N 277.371 3.510 30 20 CHED CC1(C)C[C@@H](NC(=O)c2cccc(C#N)c2)c2ccccc21 431870551 IZOSBLKOWZJRNZ-QGZVFWFLSA-N 290.366 3.711 30 20 CHED CC(C)C1CCC(N(C)C(=O)Cc2ccc(C#N)cc2)CC1 432541754 OSPRLIICQKGWNF-UHFFFAOYSA-N 298.430 3.774 30 20 CHED CC(C)COc1ccccc1CN(C)CC(C)(C)C#N 433311640 NEOKCHYPMCYFIB-UHFFFAOYSA-N 274.408 3.703 30 20 CHED CN(Cc1cc(F)cc(F)c1)c1cccc(F)c1C#N 433807286 FLMGKQSKQBCCJQ-UHFFFAOYSA-N 276.261 3.612 30 20 CHED CC1(C)CN(CC#Cc2ccc(Cl)cc2)CCS1 434901553 WXYMSRANVYRFLX-UHFFFAOYSA-N 279.836 3.519 30 20 CHED C=C(C)CS(=O)(=O)N[C@@H](c1ccccc1C)C(C)(C)C 435436726 HKORXNAFIPRZMG-HNNXBMFYSA-N 295.448 3.578 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc2ccccc2c1 437490120 BURLMOVLIKIMMT-ZWKOTPCHSA-N 295.382 3.551 30 20 CHED C[C@@H](CN(C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 437579715 OTWMXEFHQGFDIW-AWEZNQCLSA-N 282.362 3.933 30 20 CHED Cn1cccc1[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl 439443256 APSUESPZIVTARZ-KRWDZBQOSA-N 299.805 3.887 30 20 CHED N#C[C@H]1CC[C@H](NCC2(c3ccc(F)cc3)CCC2)C1 442780643 KYZBVSNXWNNMLN-BBRMVZONSA-N 272.367 3.529 30 20 CHED CCCc1noc(CSCc2ccc(C#N)c(C)c2)n1 447411952 DGKVGHFSCONHRC-UHFFFAOYSA-N 287.388 3.636 30 20 CHED C=CC(C)(C)CNC1CCN([C@@H]2CCCC[C@@H]2C)CC1 449484144 FOELHYUQGKKZAK-DOTOQJQBSA-N 278.484 3.831 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1C(F)(F)F 449520471 PQMTWRSCQZWUOP-GDLCADMTSA-N 285.309 3.700 30 20 CHED N#CC1(CN2CCC[C@@H]2CCc2ccccc2)CCC1 450267330 AMWUZZHHEHBRGK-QGZVFWFLSA-N 268.404 3.777 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)CCCCC1 450385702 FNWWQKXLJVNXKK-JKSUJKDBSA-N 293.451 3.833 30 20 CHED CC(C)(CCC#N)CNc1nccc2c([N+](=O)[O-])cccc12 450527672 LFSDLPHCGVGBKG-UHFFFAOYSA-N 298.346 3.885 30 20 CHED COc1ccc([C@@H](NCC2(C#N)CCC2)C(C)C)cc1 450663293 SCFPTTJLUPQZMR-INIZCTEOSA-N 272.392 3.676 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@H](c2ccccc2)C1 452160533 MLUKXKZMUWXSKG-OAHLLOKOSA-N 257.377 3.605 30 20 CHED C=CC(C)(C)CNC(=O)c1cccc(C(F)F)c1 452772160 DCTSBUCXDIWYSK-UHFFFAOYSA-N 253.292 3.566 30 20 CHED N#Cc1ncc(NCc2csc(C3CC3)n2)cc1Cl 453050591 HUZNHSHNFQLSSL-UHFFFAOYSA-N 290.779 3.553 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(C(F)(F)F)c1 453367800 RUVJKNXWRHBGGJ-GDLCADMTSA-N 285.309 3.700 30 20 CHED Cc1cccc2c1CC[C@@H]2NCc1ccc(C#N)c(F)c1 453389536 ROZWKHGZJJBWDR-SFHVURJKSA-N 280.346 3.783 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](C)c1cccc(OCC)c1 454399827 BKJAFRZKFWDIMH-ZDUSSCGKSA-N 290.407 3.658 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455013738 YGDPZAQFBISDBH-ZIAGYGMSSA-N 286.419 3.678 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1ccc(C)cc1 455527700 VTDBTCDDSXSKHF-INIZCTEOSA-N 272.392 3.808 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)C2CCCCC2)c1 456005530 PGOLKKQVXNNIDF-UHFFFAOYSA-N 271.364 3.663 30 20 CHED C=CC[C@H](C(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1)c1ccccc1 456251419 MGVISYSFAHIVQH-FHWLQOOXSA-N 295.426 3.993 30 20 CHED CC[C@H](OC1CCCC1)C(=O)Nc1cc(C)cc(C#N)c1 456959015 FUYILFANIUODJZ-INIZCTEOSA-N 286.375 3.543 30 20 CHED C[C@@H](C(=O)N1CCC2(CCCCC2)C1)c1cccc(C#N)c1 462148144 KRSYSCCSUMGBOW-OAHLLOKOSA-N 296.414 3.845 30 20 CHED C[C@H](CN(C)c1ccc(F)cc1C#N)c1ccccc1 462809876 JJBQKOARNOJNGQ-CYBMUJFWSA-N 268.335 3.937 30 20 CHED N#Cc1cc(N[C@H]2C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] 463653556 BSBKIELCXMYION-CJNGLKHVSA-N 293.326 3.510 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(c2ccccc2)CCC1 467500578 VHBMYNPBRZSZJT-QGZVFWFLSA-N 271.404 3.827 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C(=O)OCC)cc1 467743573 JXVXSIDBOSXJIV-UHFFFAOYSA-N 287.359 3.570 30 20 CHED CC[C@]1(C)CCN(Cc2ccc(C#N)cc2OC(F)F)C1 468135787 GURCJWXBSJYSBW-MRXNPFEDSA-N 294.345 3.782 30 20 CHED C[C@@H](CCC1CC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 469449321 APPSGYCENRTMKI-JTQLQIEISA-N 291.782 3.912 30 20 CHED C=CCC1(C(=O)NCc2c(C)c3ccccc3n2C)CCC1 471223532 ROPLUMMKTWZPAC-UHFFFAOYSA-N 296.414 3.849 30 20 CHED C=CCCCCNC(=O)Nc1cc(Cl)ccc1OC 473488645 PGEVHVRZHWDIQE-UHFFFAOYSA-N 282.771 3.826 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@H](OCC)C1CCCC1 475993282 DDCMYZDJEFUPAB-INIZCTEOSA-N 296.455 3.579 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1 480777188 FIXQZEYWCPHJKJ-UKRRQHHQSA-N 281.334 3.841 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2c(C#N)nnc3ccccc23)C1 481061185 OPQIZWSTTZVPQQ-CYBMUJFWSA-N 294.402 3.764 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](CC)Oc1ccccc1Cl 482551222 QSBAQBQNASAYCC-CQSZACIVSA-N 293.794 3.698 30 20 CHED CCCCN(CCCC)C(=O)c1ccc(C#N)s1 486797700 BAMPBAXSXJHZRH-UHFFFAOYSA-N 264.394 3.662 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1CC1CCCCC1 488602934 ZDOFXMHHJWYQOP-HNNXBMFYSA-N 264.413 3.707 30 20 CHED C[C@]1(F)CCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 499672139 RKDDYAFUFBUKGX-HNNXBMFYSA-N 289.741 3.698 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@](C)(CC)C1 508923022 SOCKTMSBWRLVGC-KRWDZBQOSA-N 290.455 3.679 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1 509338624 RUXIAACYGVEFBG-XFUTXVRSSA-N 295.426 3.851 30 20 CHED C=CCSCCNC(=O)CCC(C)(C)c1ccccc1 513854849 WDQQGSCHGHCGHJ-UHFFFAOYSA-N 291.460 3.780 30 20 CHED C=C(C)CNC/C(C)=C\c1ccccc1OC(F)F 521120950 SAWORFSSDYMCOX-WQLSENKSSA-N 267.319 3.857 30 20 CHED C[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]21 522904678 UQIHVBVXQPZVHS-OLMNPRSZSA-N 296.414 3.528 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]1c1ccccn1 532334382 JCWBNEBSNBXAOE-INIZCTEOSA-N 270.376 3.514 30 20 CHED C=CC[C@@H](CO)CNCc1ccc(-c2ccccc2)cc1 537021963 SXRMIUSIXDEKCF-QGZVFWFLSA-N 281.399 3.628 30 20 CHED C=CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 538958293 IXVPVQHZEYGPMI-UHFFFAOYSA-N 295.304 3.587 30 20 CHED C=C(CC)CSCCOc1cccc(OC)c1 539094828 RFTKKBRGNGYXIO-UHFFFAOYSA-N 252.379 3.773 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H]1C(C)C)c1ccccc1 539450292 BFBNUBZGUXXVTP-ZBFHGGJFSA-N 257.377 3.603 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 539666099 JERUKRYTVVLCMZ-XHSDSOJGSA-N 296.455 3.624 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1C 539812145 JITWVKAWZBMTFV-WWGRRREGSA-N 272.392 3.574 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@H]1Cc1ccccc1 540488120 STHXTYMHCALAHP-UAGQMJEPSA-N 286.419 3.662 30 20 CHED Cc1ccc(O[C@H](C)CN[C@@H](C)c2cccc(C#N)c2)cc1 540593670 NBMWPUILBDIBMW-CVEARBPZSA-N 294.398 3.985 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Nc1ccccc1C#N 541585161 QYFOSKSSDZSPNE-GFCCVEGCSA-N 258.365 3.959 30 20 CHED Cc1cc(CNC(=O)c2ccc(CC#N)cc2)ccc1Cl 541702203 ASLFJKIARQUBLD-UHFFFAOYSA-N 298.773 3.645 30 20 CHED C=CCC[C@@H](NCC[C@H](C)N1CCCCC1)C1CC1 544373248 WAKFCBJOKYLLBY-DOTOQJQBSA-N 264.457 3.585 30 20 CHED CC[C@H](CC(F)(F)F)Nc1c(F)cc(C#N)cc1F 546183011 YMAOUJRALCWBAO-MRVPVSSYSA-N 278.224 3.979 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@](C)(CC)C1 549247812 CXFPSNPIHDTXSW-MRXNPFEDSA-N 276.428 3.604 30 20 CHED C=CCC(F)(F)c1nc(Cc2c(F)cccc2F)no1 550965848 NGCBAZMVOSWXFW-UHFFFAOYSA-N 286.228 3.607 30 20 CHED N#Cc1cc(=N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc[nH]1 553517264 MWEGBSMNPLBVQY-INIZCTEOSA-N 293.345 3.562 30 20 CHED Cc1cccc([C@@H](NC(=O)NCC2(C#N)CC2)C(C)(C)C)c1 555708856 UYZQAGKSRBYUKG-OAHLLOKOSA-N 299.418 3.685 30 20 CHED CN(C(=O)Cc1cccc(C#N)c1)[C@H]1CCC[C@@H]1C(C)(C)C 557069470 RWMCFWZRRZUOCL-IRXDYDNUSA-N 298.430 3.774 30 20 CHED CC(C)(C#N)CCNC1(c2ccc(Cl)cc2)CC1 561719923 PDXNHGCKDZOZGJ-UHFFFAOYSA-N 262.784 3.859 30 20 CHED Cc1cc(Cl)c(NC(=O)NCC2(C#N)CC2)cc1Cl 562405353 JDWSQVDWPIPGMN-UHFFFAOYSA-N 298.173 3.727 30 20 CHED CC(C)(C)[C@@H](NCc1ccc(C#N)s1)C(F)(F)F 566415663 IIXLCEMZEWCLMG-SNVBAGLBSA-N 276.327 3.686 30 20 CHED C=CCCC1(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC1 566638928 AFUNZQUUSBKRBV-HNNXBMFYSA-N 285.387 3.875 30 20 CHED COc1cc(Cl)ccc1CN1CCC(CCC#N)CC1 569599293 PWAWXJXDYNMWQQ-UHFFFAOYSA-N 292.810 3.864 30 20 CHED N#CCc1ccccc1NC(=O)CCc1cccc(Cl)c1 573722354 UNUJZJHXESHBEZ-UHFFFAOYSA-N 298.773 3.977 30 20 CHED C=CCCN1CCC(c2ccnc3ccccc23)CC1 578079953 IFYBERBRBTYNNX-UHFFFAOYSA-N 266.388 3.990 30 20 CHED CC[C@@](C)(C#N)c1nc(C(F)(F)c2ccc(F)cc2)no1 581909864 XAGSPXXPQUGKRZ-ZDUSSCGKSA-N 295.264 3.540 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1 581951965 TVVAHGURZFIYAC-XDNAFOTISA-N 296.414 3.708 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 588158870 WGBWVSWHBLHTDA-QZTJIDSGSA-N 298.430 3.988 30 20 CHED CN(c1nc(C#N)c(Cl)s1)[C@H]1CCc2ccccc21 590570485 WHSXZJJRIOVFFO-LBPRGKRZSA-N 289.791 3.792 30 20 CHED Cc1cnccc1CN(Cc1ccc(C#N)cc1)C(C)C 590639011 SKQCPZXUSWROBU-UHFFFAOYSA-N 279.387 3.672 30 20 CHED C[C@]1(C#N)CCCN(CCc2cccc(Cl)c2)C1 590959847 YPIPSCPCYSNVCB-OAHLLOKOSA-N 262.784 3.508 30 20 CHED CCn1nccc1-c1ccc([C@H](C#N)C(C)C)cc1 592985312 DPMFJTCPTFFEKA-OAHLLOKOSA-N 253.349 3.833 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccc(CC#N)cc1 593137942 HNTRALYPFVMJTB-DZGCQCFKSA-N 285.391 3.699 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 593403825 RYXGCJRPWRGZMK-LLVKDONJSA-N 295.342 3.707 30 20 CHED Cc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1C#N 593954855 SFBXYGKZZAKLAI-LJQANCHMSA-N 293.366 3.839 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCSc1ccc(Cl)cc1 594100048 CILOJSMJCTUUJU-LBPRGKRZSA-N 296.823 3.583 30 20 CHED C[C@H](c1noc([C@H](C)Cc2ccc(C#N)cc2)n1)C1CC1 594528673 CHCJLYXAQVRGQP-NEPJUHHUSA-N 281.359 3.801 30 20 CHED COc1cccc(C2(NCc3ccc(C#N)s3)CCC2)c1 594997252 JSMLNDSCSCBDHR-UHFFFAOYSA-N 298.411 3.797 30 20 CHED CCc1cccc2cc(CNCC3(C#N)CCC3)oc12 597152424 AJRNCEJPINUTBA-UHFFFAOYSA-N 268.360 3.779 30 20 CHED Cc1cccc(-c2n[nH]cc2CN2CCC[C@@H](CC#N)C2)c1 597173525 JRCXZSXOASGXSW-HNNXBMFYSA-N 294.402 3.511 30 20 CHED C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)CC(C)(C)C1 597493496 ILVOAMTVTUSIPN-AWEZNQCLSA-N 276.424 3.745 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 597695176 OWINCEUQQSJIMZ-DLBZAZTESA-N 298.430 3.654 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)C1[C@H]2CCCCCC[C@H]12 597777950 SYEWPRSFVRJPQX-HOTGVXAUSA-N 294.398 3.664 30 20 CHED C=CCOCc1nc(-c2cccc3ccccc23)no1 598861856 HKAAPPDJIJHTKX-UHFFFAOYSA-N 266.300 3.592 30 20 CHED N#Cc1ccc(N2CCC[C@H](c3ccc(F)c(F)c3)C2)cn1 599115904 AUNSXVLKOOOHKB-ZDUSSCGKSA-N 299.324 3.615 30 20 CHED C[C@H](CCC#N)N1CCC[C@H](c2ccc(F)c(F)c2)C1 599516430 UDCKAZFNQCGXFG-OCCSQVGLSA-N 278.346 3.836 30 20 CHED CCCN(CCCSCC#N)c1ccccc1F 599542921 GNHOAKXTMQKIET-UHFFFAOYSA-N 266.385 3.689 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(F)cc(C#N)c1 601712517 XEAIMFBPWSEVHB-VIFPVBQESA-N 288.244 3.614 30 20 CHED C[C@@H](CCC#N)CNCCOc1ccc2ccccc2c1 602509715 IUUCIFMGQYKZNJ-HNNXBMFYSA-N 282.387 3.748 30 20 CHED N#CCCCCN[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 602542405 WZTRMPWJXPIFQL-MJGOQNOKSA-N 297.446 3.638 30 20 CHED Cc1csc(NC(=O)N2[C@@H](C)CCC2(C)C)c1C#N 603011850 UCTBVBCIDXEOFS-JTQLQIEISA-N 277.393 3.723 30 20 CHED C[C@@H]1CCCC[C@H]1OCCSc1ccc(C#N)cn1 603724630 JSJXFQKATJQJOY-TZMCWYRMSA-N 276.405 3.641 30 20 CHED C=CCCOCC(=O)N[C@@H](CC)c1ccc(Cl)s1 603835138 PHFDMDXSZMORLQ-JTQLQIEISA-N 287.812 3.562 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)C1CC1 608918085 KTQDVQMNDKIZML-CQSZACIVSA-N 299.418 3.524 30 20 CHED N#Cc1ccc(CN2CCCc3sccc3C2)c(F)c1 609322602 FUUDEEOTXNBUNS-UHFFFAOYSA-N 286.375 3.707 30 20 CHED N#Cc1cccc(CN2CCC(C3CCCC3)CC2)c1 610370773 HVOHUCODUJFANA-UHFFFAOYSA-N 268.404 3.960 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)s2)c2ccccc21 610709006 IOKGHCHQMAHXRF-UHFFFAOYSA-N 282.368 3.558 30 20 CHED Cc1ccncc1[C@@H](C)Nc1cccc(F)c1C#N 611299051 KGYXBZLOHSUUNH-LLVKDONJSA-N 255.296 3.574 30 20 CHED N#CCC[C@H](NC(=O)N1CC[C@@H]2CCC[C@@H]21)c1ccccc1 614477191 JDCHTXWBQJHJMS-ULQDDVLXSA-N 297.402 3.615 30 20 CHED CCOC1CC(CCN[C@H]2CCCc3cc(C#N)ccc32)C1 616094640 MXKNDYOPNRMLPB-YVNUBYTISA-N 298.430 3.730 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC2(Cc3ccc(F)cc3)CC2)C1 618571442 QRPPYYVPUWBKJJ-NVXWUHKLSA-N 286.394 3.820 30 20 CHED CCCn1c(=NCC(C)(C)CCC#N)[nH]c2ccccc21 618890488 ZPXZHGOPWNWUJB-UHFFFAOYSA-N 284.407 3.610 30 20 CHED C=CCN(Cc1c(C)cc(C)cc1C)[C@H](C)COC 621317646 PUBYLBYDMVGLMC-MRXNPFEDSA-N 261.409 3.635 30 20 CHED C=CCC[C@@H](NCc1ccns1)c1ccccc1 624047648 JZHGZRRQVQWJBY-OAHLLOKOSA-N 258.390 3.940 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(CC(=O)NC)cc1 648387250 XYTGFGQRKRUFPU-CQSZACIVSA-N 274.408 3.522 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ncnc2onc(C)c12 669658375 VAXCGXXFYJXGGQ-UHFFFAOYSA-N 294.358 3.509 30 20 CHED C=CCCCCCN(C)[C@H](C)c1cnc(C)nc1C 682073771 RVIPWTRZLLVPHH-CQSZACIVSA-N 261.413 3.833 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCCC[C@H]1CC(C)C 685551738 KMPOJUAXDOMIRG-HNNXBMFYSA-N 290.455 3.993 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(SC(F)F)c2)o1 690179443 JXFAACGIRHPJCF-UHFFFAOYSA-N 294.282 3.718 30 20 CHED N#CCc1ccc(CN2CC[C@H](C3CCCC3)C2)cc1 708832585 PCDNQTBHLRGBIG-SFHVURJKSA-N 268.404 3.765 30 20 CHED CCc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1 720268827 QZQMLJPQWKNBKG-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3nc(O)[nH]c3c2)cc1C 728157285 NRRUVWYKJXKSPT-VMPITWQZSA-N 292.338 3.781 30 20 CHED CC(=NNCCCc1ccccc1)c1cc(F)ccc1F 729148115 ORVIPHGSMFIXDP-UHFFFAOYSA-N 288.341 3.911 30 20 CHED Fc1ccc(NN=Cc2ccc(Cl)cc2Cl)nc1 731318968 PZQKBIMDZJOFOL-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccccc1OC(F)F 731319096 NUNHLLZTEHMEPT-UHFFFAOYSA-N 295.264 3.658 30 20 CHED C[C@@H](NN=C1CCOc2ccc(F)cc21)c1ccccc1 731558070 IPDOXQNUHVHAOX-GFCCVEGCSA-N 284.334 3.663 30 20 CHED CCc1nc([C@H](C)/N=C/c2c(O)cccc2OC)cs1 731937607 KSHAPQLUAIHCQY-MDKXCRPYSA-N 290.388 3.600 30 20 CHED N#Cc1cccc(OCCCCC(=O)O[C@@H]2C=CCCC2)c1 733495008 IODCFOVWTVEIKF-MRXNPFEDSA-N 299.370 3.759 30 20 CHED C#CCOc1ccccc1CNCc1coc2ccccc12 734004036 IVPPZKPWAZPFND-UHFFFAOYSA-N 291.350 3.735 30 20 CHED C=CC[C@H](NC(=O)N(C)[C@@H](C)CCC)c1ccncc1 734683372 LMRWULXJZTVZCB-ZFWWWQNUSA-N 275.396 3.529 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)/C=C\C1CCCCC1 735469201 OZOARIBRALRKQV-KHPPLWFESA-N 276.424 3.911 30 20 CHED C=CC[C@@H](NC(=O)CCC(C)(C)C)c1ccncc1 737853849 AIXLTZOYQMRGCH-CQSZACIVSA-N 260.381 3.641 30 20 CHED C=CCCCCCN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 739898912 QYQXGPIVEIILCT-UHFFFAOYSA-N 293.323 3.686 30 20 CHED CCCCc1nc(CN(CCC#N)CC(C)C)cs1 739914026 XGTVAYMLOANQOY-UHFFFAOYSA-N 279.453 3.857 30 20 CHED Fc1ccc([C@@H]2CCCC2=NNC2CCCC2)cc1 741164722 XMHWKKQITTYEFY-HNNXBMFYSA-N 260.356 3.981 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2cccnn2)cc1 741842248 IDAAHVAVQSMFSD-AWEZNQCLSA-N 266.348 3.521 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccs1)CC2 741848150 LYBBEWPTBBPENE-FMIVXFBMSA-N 270.353 3.969 30 20 CHED C#CCCCNCc1ccc(OCC(C)C)c(OCC)c1 742385096 IWMHMKIJNZOICW-UHFFFAOYSA-N 289.419 3.623 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc2c(c1)COC2 742436285 JOHCBADJPXHMII-KTAJNNJTSA-N 292.334 3.548 30 20 CHED Cc1ccc(NN=C(Cc2ccc(F)cc2)C(C)C)nn1 743439837 NVNLFTMCJQHTPC-UHFFFAOYSA-N 286.354 3.591 30 20 CHED C=CCOC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 744042191 LMHZHDBQJHUKFR-CSKARUKUSA-N 270.250 3.838 30 20 CHED C=C(C)CCOC(=O)[C@@]1(C)CCc2ccccc2C1 744304903 HFOIOHLEXWPGGY-KRWDZBQOSA-N 258.361 3.691 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)CCc1ccccc1F 744305111 NJFDVUMHNGYWPY-ZDUSSCGKSA-N 264.340 3.904 30 20 CHED CN(CCC1CC1)C(=S)Nc1ccc(C#N)c(Cl)c1 746542608 KCXGIRTYLMJPSZ-UHFFFAOYSA-N 293.823 3.640 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccccc1 746999445 LNVJJNJWYBRDRE-KTKRTIGZSA-N 252.313 3.900 30 20 CHED Fc1ccc2[nH]cc(C=NNc3nc4ccccc4[nH]3)c2c1 747041533 HQIDCMPTHQSVPU-UHFFFAOYSA-N 293.305 3.629 30 20 CHED Fc1ccc(/C=C/C=NNc2ncccc2Cl)cc1 747752831 FOFCNJPIQZHHGX-INEDBMDISA-N 275.714 3.985 30 20 CHED CC(=NNCC(F)F)[C@@H](C)c1nc2ccccc2s1 748789390 QABPTDJSJOXUND-MRVPVSSYSA-N 283.347 3.630 30 20 CHED C=CCN(Cc1ccc(C(=O)OC(C)C)cc1)C(C)C 749513433 FCRYKEJGWJRIBM-UHFFFAOYSA-N 275.392 3.648 30 20 CHED Cc1cc(OC(=O)Cc2ccc(C#N)cc2)cc(C)c1Cl 749793038 GPLJGPHXLAUTHU-UHFFFAOYSA-N 299.757 3.977 30 20 CHED C=C(CNCc1c(Cl)nc(Cl)n1C)c1ccccc1 752258975 HCNMRFAFEMUTQB-UHFFFAOYSA-N 296.201 3.530 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)/C=C1/CC[C@@H](C)C1 753626795 UPYLZDAQIVFWIV-YGYTWAPGSA-N 287.334 3.523 30 20 CHED C#CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 753963697 UAPOTJABMIUEQW-UHFFFAOYSA-N 296.713 3.576 30 20 CHED COc1cccc2c1C/C(=C/c1cc(F)cc(F)c1)C2=O 755600110 YHLJSUVFOLDSAX-WZUFQYTHSA-N 286.277 3.796 30 20 CHED COc1cccc2cc(C(C)=NO[C@H]3CCCCO3)oc12 755820871 GKFORKAWNWNDEA-HNNXBMFYSA-N 289.331 3.709 30 20 CHED CC1(C)CC(=NO[C@@H]2CCCCO2)c2ccccc21 755824732 YPDVHYCEZCVIHD-OAHLLOKOSA-N 259.349 3.615 30 20 CHED C=C(Cl)CN1CCC[C@@H]1Cn1c(C)nc2ccccc21 756624344 GTFQIEWXMSUNIQ-CQSZACIVSA-N 289.810 3.562 30 20 CHED CC(C)(C#N)CNCc1ccccc1-c1ccccc1 757906107 KKPONLWZHKTKTL-UHFFFAOYSA-N 264.372 3.993 30 20 CHED N#C[C@H](NC(=O)c1cc(Cl)cs1)C1CCCCC1 758923563 YXYTUSPSSIQFKN-NSHDSACASA-N 282.796 3.604 30 20 CHED C#CCCN1CCC[C@H]1c1cccc(Br)c1 760818806 PBIUXTJSDOVOTN-AWEZNQCLSA-N 278.193 3.609 30 20 CHED CC[C@@H](C)NN=Cc1ccc(F)c(Cl)c1Cl 761831261 OQHRCXRMTIDVEB-SSDOTTSWSA-N 263.143 3.855 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc(F)c(C)c1 761890355 MJMIQGLPEWJOQI-UHFFFAOYSA-N 276.286 3.728 30 20 CHED CC(C)CCN(CCC#N)C(=O)C(F)=C1CCCC1 763038329 IXGGUSOTPQSADN-UHFFFAOYSA-N 266.360 3.572 30 20 CHED COc1ccc2c(c1)C(=NOCc1ccccc1)CCCO2 763162521 CBWLKSIGFBHXCD-UHFFFAOYSA-N 297.354 3.789 30 20 CHED C=CCCCOC(=O)[C@@H](C)c1c(F)cccc1F 763824681 SXMHHPFNWOBZTE-JTQLQIEISA-N 254.276 3.578 30 20 CHED C#CCOc1cc(F)ccc1NCc1sccc1OC 765249492 JWDXLZOGQAYVHO-UHFFFAOYSA-N 291.347 3.520 30 20 CHED Cc1cc(C=NNc2cc(F)cc(F)c2)ccc1C#N 766450543 NSADLTHZQZVIGT-UHFFFAOYSA-N 271.270 3.591 30 20 CHED COc1cc(OC(=O)C[C@H](C)CC(C)C)ccc1C#N 767142789 WCWSPQBFWVCZGF-GFCCVEGCSA-N 275.348 3.545 30 20 CHED C#CCCN(Cc1ccc(CC)s1)CC(F)(F)F 768533085 BHHAXPNPMFIEER-UHFFFAOYSA-N 275.339 3.698 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1cscn1 769266138 VTHJECIUETXANR-FPLPWBNLSA-N 273.357 3.826 30 20 CHED C#CCOc1ccc(CN2CC[C@H]2c2cccc(F)c2)cc1 769506179 CZLIPJIOISQLRP-IBGZPJMESA-N 295.357 3.785 30 20 CHED Brc1cc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)ccn1 769810911 SIRBOCUBOLXOBR-GARJFASQSA-N 294.196 3.678 30 20 CHED CC(=NNCC(F)(F)F)c1ccc(C(F)(F)F)cc1 769811263 ZGPXTUCOLDTSMI-UHFFFAOYSA-N 284.203 3.581 30 20 CHED C=CCN(C(=S)Nc1ccc(OC)c(Cl)c1)C1CC1 771545074 BGRYGVDGWYDSLG-UHFFFAOYSA-N 296.823 3.696 30 20 CHED CC(C)[C@@H]1CCC[C@@H]1NCc1ccc(OCC#N)cc1 772961059 YITSIPGLDMLIES-IRXDYDNUSA-N 272.392 3.503 30 20 CHED CC(C)c1nccnc1NN=C[C@H]1CCCC[C@H]1C 773085132 FJRFQIWQRPGFEK-CHWSQXEVSA-N 260.385 3.824 30 20 CHED C#CCCCCC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 773283095 PTQZAMXRAYONDL-KRWDZBQOSA-N 269.388 3.790 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 774043399 GEQIGVCNOBSUKP-NUTKFTJISA-N 271.360 3.845 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)OCC1(CC#N)CC1 776094029 LBXBMZPVJBAFAF-OAHLLOKOSA-N 285.387 3.882 30 20 CHED O=C(/C=C\c1nc2c(s1)CCCC2)c1ccco1 776264717 HTOWRJHEGQRLKR-FPLPWBNLSA-N 259.330 3.511 30 20 CHED C[C@H](CC(=O)OCCC(C)(C)C#N)c1ccc(F)cc1F 776395347 IWVPHKJDTDMLDF-LLVKDONJSA-N 295.329 3.941 30 20 CHED COC[C@H](C)C(C)=NOCc1ccc(C(F)(F)F)cc1 777887285 FQYHFLGDLMOYIA-JTQLQIEISA-N 289.297 3.880 30 20 CHED Cc1cc(C=NNc2ccc(Cl)nn2)ccc1Cl 779757867 LVUZOEPBJWBYBC-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1sccc1C 779817757 SIYJIPWNMWMSPF-UHFFFAOYSA-N 270.361 3.769 30 20 CHED Fc1cc(C=NNc2ccc3[nH]ncc3c2)ccc1Cl 779819866 ZLWLOSOHVPVEGS-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C#CCCCCCC(=O)N1CCCc2cc(F)cc(C)c21 779928540 GQFGQEITSZBRCE-UHFFFAOYSA-N 287.378 3.997 30 20 CHED CC1(C)C[C@H](NN=C2CC(C)(c3ccccc3)C2)CCO1 780249996 JUSKQOITLRZRPP-NNJIEVJOSA-N 286.419 3.641 30 20 CHED COc1ccc(NN=C2CC(c3ccc(C)cc3)C2)nc1 780277456 XTCDBTLAGUYCLI-UHFFFAOYSA-N 281.359 3.744 30 20 CHED CCCCC[C@](C)(CC)C(=O)N1CCC(C#N)CC1 780523183 OESOOQPZLZNNRP-INIZCTEOSA-N 264.413 3.745 30 20 CHED CCCCCC[C@@H](C)NC(=O)N1CCC(CC#N)CC1 781782967 WSSRLVCLPFQMSZ-CQSZACIVSA-N 279.428 3.681 30 20 CHED CC[C@H]1CC[C@H](C(=O)Oc2ccc(C#N)cc2F)CC1 782534755 HGGDTIJDMLNVLS-AULYBMBSSA-N 275.323 3.819 30 20 CHED CC(=O)c1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 783369502 YHIDSKXNCDSMNI-CYBMUJFWSA-N 293.322 3.679 30 20 CHED CCCNN=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1 788424588 JEPUHGYHUZPSLR-VHSXEESVSA-N 256.802 3.881 30 20 CHED C[C@H](C=NNc1cnccn1)c1ccc(C(F)(F)F)cc1 788991551 NGXXLJPFNJLKGK-SNVBAGLBSA-N 294.280 3.697 30 20 CHED CCCCCCCCC[S@](=O)[C@@H]1CCCOC1 790210349 DHNXCRYXVQDZQK-PBHICJAKSA-N 260.443 3.665 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1Cc1ccccc1C 791072499 CCFNDMOWMQNBDX-MSOLQXFVSA-N 298.430 3.513 30 20 CHED Cc1cc(C)nc(NN=C[C@@H](OC(C)C)c2ccccc2)n1 792865896 JEXQKZRHJFINMI-MRXNPFEDSA-N 298.390 3.657 30 20 CHED CC1(CNN=Cc2scnc2C2CC2)CCCC1 793080907 DOVCRSWVFYFNCB-UHFFFAOYSA-N 263.410 3.524 30 20 CHED CC[C@@H](C)CON=Cc1c[nH]nc1-c1ccsc1 793145068 HKEHILHAYRWPLH-SNVBAGLBSA-N 263.366 3.535 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1 794718693 DNMOEGUUCZISDO-FPLPWBNLSA-N 255.292 3.679 30 20 CHED N#CCCCCOC(=O)CCSCc1ccccc1 795848614 WIPOLFJTTKDAEM-UHFFFAOYSA-N 277.389 3.547 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C(C)=C1CCCC1 797172354 SAJQTBCGUBXZQR-UHFFFAOYSA-N 283.375 3.819 30 20 CHED Cc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1C#N 799318085 KXHUHZCWMFINGV-UHFFFAOYSA-N 278.355 3.922 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1ccc(C)c(C#N)c1)CCC2 799334977 JSDDGEZUCSXOSE-UHFFFAOYSA-N 290.366 3.768 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1cc(C(C)=O)cs1 799441507 XMAGVMMVPWWWIA-UHFFFAOYSA-N 299.351 3.604 30 20 CHED COCCON=C(C)CC(C)(C)c1c[nH]c2ccccc12 799481450 BUPXMYOFKCQEPI-UHFFFAOYSA-N 288.391 3.875 30 20 CHED Cc1ccc(C(=O)Nc2ncccc2C(C)C)cc1C#N 799710258 COUFVZCQXATQRD-UHFFFAOYSA-N 279.343 3.637 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(OC(F)F)c(F)c2)C1 799721403 FDGNHOXGPGBLGF-IUCAKERBSA-N 270.254 3.531 30 20 CHED N#CCCCCCC(=O)OCc1cc(-c2ccccc2)no1 805696054 UPRNSCKTTAXYBI-UHFFFAOYSA-N 298.342 3.859 30 20 CHED C=CCCCCCCN[C@@H](C)c1cnc(C)nc1C 806168054 UWDHOVSABNYFBC-ZDUSSCGKSA-N 261.413 3.881 30 20 CHED CC(C)(C)CC1=NN/C(=N/Cc2ccccc2)SC1 806548616 GFXUDVPDKTZSMS-UHFFFAOYSA-N 275.421 3.671 30 20 CHED C[C@H](/N=C/c1c(O)ccc2ccccc12)C(F)(F)F 806552684 WQZISWZXUUMRIT-ZBPACCJBSA-N 267.250 3.915 30 20 CHED COCCOCc1ccc(C=NNc2cccc(C)c2)cc1 807943665 IMBNLXBWDPMCSV-UHFFFAOYSA-N 298.386 3.604 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)ccc2C)[C@H]1SC 807955054 LYDWUIHWKRPGNE-LSDHHAIUSA-N 278.421 3.612 30 20 CHED CC(=NNCC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl 808006724 ZFLHJGNMDSAQFY-UHFFFAOYSA-N 295.770 3.752 30 20 CHED C=CC[C@@H](C(=O)OCCC1(OC)CCC1)c1ccccc1 809048466 PTLIYGAPFYJYIK-MRXNPFEDSA-N 288.387 3.849 30 20 CHED Oc1ccc(Cl)cc1/C=N\C[C@H]1COc2ccccc21 809144352 LEYAGGAZOWSJTG-QTPLJXKRSA-N 287.746 3.641 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cnccn1)CCO2 809158602 UPXACUQNEDNPOV-ZROIWOOFSA-N 294.354 3.649 30 20 CHED C#Cc1ccc(CN(C)[C@H]2CC[C@H](SCC)C2)cc1 809592557 OYVOPFXHXVIZJI-IRXDYDNUSA-N 273.445 3.774 30 20 CHED C#Cc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 809627789 GYHVBFUAGZZXAN-IBGZPJMESA-N 274.367 3.803 30 20 CHED C#C[C@H](C)N[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 809683931 LDQPKNBCJNTYDS-LNSITVRQSA-N 281.321 3.953 30 20 CHED C=CCCCCCCCNC(=O)Cc1ccc(C)c(O)c1 811590807 MENVOCQIVASABM-UHFFFAOYSA-N 289.419 3.886 30 20 CHED COc1cccc(O)c1C=Nc1ccccc1Cl 812386804 ARIKRSINJXKEJG-UHFFFAOYSA-N 261.708 3.805 30 20 CHED C[C@H](OC(=O)CCCC#N)c1ccc(Br)cc1 813062234 GVRBZTOUMUJVPD-JTQLQIEISA-N 296.164 3.747 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C1(F)CCCCC1 813190270 TWVKIANJDWQCCV-UHFFFAOYSA-N 268.376 3.590 30 20 CHED Cc1ccc(C)c(NN=C2CC[C@H](CC(=O)O)[C@@H]2C)c1 814753774 ZJOCSAPYMZYTTO-QWHCGFSZSA-N 274.364 3.592 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(Cl)c(N)c1 814810388 KJOSHLTZYRBBMC-UHFFFAOYSA-N 295.173 3.807 30 20 CHED COCC1(CCNc2nc3ccccc3cc2C#N)CCC1 814901648 SGROQPUIVLUOQK-UHFFFAOYSA-N 295.386 3.725 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NNC2CCCCC2)C1 814910158 RXVRDOWFYVCZQM-AWEZNQCLSA-N 294.439 3.798 30 20 CHED CC(C)CCC=NNc1cccc(F)c1[N+](=O)[O-] 814918926 IGNHVEWIOFWHCD-UHFFFAOYSA-N 253.277 3.568 30 20 CHED C=CCC(F)(F)C(=O)OCCCc1cccc(F)c1 815311828 ZNHWQDHRWFAYNU-UHFFFAOYSA-N 272.266 3.513 30 20 CHED Cc1cc(C)c([C@@H](C)NCC(C)(C)CCC#N)c(O)c1 815627382 ZQGADSTYCGDKFP-CQSZACIVSA-N 274.408 3.990 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(C2CC2)cc1 824228849 UTMDRHLDCDCZFY-UHFFFAOYSA-N 270.376 3.576 30 20 CHED C#CC1CCN(c2cc3ccccc3c(Cl)n2)CC1 826720266 DUZGAHMLMVIWER-UHFFFAOYSA-N 270.763 3.738 30 20 CHED CC(C)C#CC(=O)N(Cc1cccc(Cl)c1)C(C)C 827519079 JOFLJYXFAPINFW-UHFFFAOYSA-N 277.795 3.736 30 20 CHED CCCc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)O)c2)cc1 829566688 SMSQVMNQOQTLON-TWGQIWQCSA-N 283.327 3.562 30 20 CHED N#CCCCCOC(=O)[C@H]1CCC[C@H]1c1ccccc1 835160590 XOKUTTQIQYBTQL-HOTGVXAUSA-N 271.360 3.807 30 20 CHED C#CCCCCC(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 837928730 IBRQKTVDWMBEOB-ROUUACIJSA-N 283.415 3.975 30 20 CHED C=CCONC(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 838711822 MONFCUPIPPNCTK-NEPJUHHUSA-N 296.798 3.591 30 20 CHED C=C(Cl)CN[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 838987311 BQCZUXQCRWOAOS-RRFJBIMHSA-N 297.851 3.667 30 20 CHED C#CCCCCCC(=O)N(c1ccccc1)C1CC1 839421425 UCTUVBONYONDMT-UHFFFAOYSA-N 255.361 3.766 30 20 CHED C(=NNc1cccc2c1CCCC2)c1cnc(C2CC2)nc1 841618777 HWCDFNRJBYGGGR-UHFFFAOYSA-N 292.386 3.679 30 20 CHED Cc1cc(C#N)ccc1NCC(C)(C)c1ccccn1 846749027 SKJBNNOOKBJNAM-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CCc1ccc(C=NOCc2ccc(C)nc2)cc1 848507152 IOLHQKARJQOITH-UHFFFAOYSA-N 254.333 3.503 30 20 CHED Cc1ccccc1C(=O)/C=C\c1c(C2CC2)cnn1C 849243778 XPQPHAWPVGTJDO-KTKRTIGZSA-N 266.344 3.502 30 20 CHED C=CCCSCCNC(=S)Nc1cc(C)ccc1C 849277768 JNWCOFKYJRJKEU-UHFFFAOYSA-N 294.489 3.899 30 20 CHED Cc1cc(C)nc(NN=C2CCC(=C3CCC3)CC2)n1 853253603 AEEJRKIDTGFCEN-UHFFFAOYSA-N 270.380 3.916 30 20 CHED C[C@H]1CCCCN1N=Cc1ccc2ccc(F)c(F)c2n1 853382081 SCBAYXDURTZGMX-NSHDSACASA-N 289.329 3.721 30 20 CHED Clc1ccc(NN=C2CCN(C3CCCC3)CC2)nc1 853437114 AVWHHNIJKBKGEJ-UHFFFAOYSA-N 292.814 3.541 30 20 CHED C=CCCCCCCCNc1ccnc(O)c1[N+](=O)[O-] 853635705 FWIVIHCURPBIPW-UHFFFAOYSA-N 279.340 3.634 30 20 CHED C[C@H](C#N)OCCSCC[C@H]1CCc2ccccc21 853773715 MWSAEPPEUHOFKC-UKRRQHHQSA-N 275.417 3.768 30 20 CHED C=CC[C@@H]1CCCN(c2cc(C(F)(F)F)cnc2C#N)C1 853802250 TWBDSRWKWWTMOO-LLVKDONJSA-N 295.308 3.765 30 20 CHED C=CCN(C(=O)CCc1ccc(Cl)c(F)c1)C(C)C 859190605 WAQPASPJWVBWOA-UHFFFAOYSA-N 283.774 3.835 30 20 CHED C=C(Cl)CNC(=O)C1(c2cc(F)cc(F)c2)CCCC1 859468840 JEANEZKFYNTEFA-UHFFFAOYSA-N 299.748 3.645 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccccc1C(C)(C)C#N 860198399 UFMBYFFACBPVGN-UHFFFAOYSA-N 298.386 3.861 30 20 CHED C#CCCCCCC(=O)Nc1cc(C)cc(C)c1O 870812563 SZURMMWRMKHGHH-UHFFFAOYSA-N 259.349 3.531 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H](O)c1ccc2ccccc2c1 878788845 UIQSOUPNUOEGCS-QGZVFWFLSA-N 297.398 3.592 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1cc(-c2ncco2)ccc1C 879039077 GKYJQHAVOQPXAO-QGZVFWFLSA-N 297.358 3.573 30 20 CHED C#C[C@@H](NC(=O)Nc1cc2[nH]ccc2cc1C)C(C)(C)C 879311138 SSCXGEYZSDFESY-OAHLLOKOSA-N 283.375 3.646 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 887701580 CHTLMICIOPHORV-KDOFPFPSSA-N 296.414 3.700 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cccc(C)c1Br 893961149 OIRQQFCGEDAHJN-CYBMUJFWSA-N 296.164 3.603 30 20 CHED C=C1CCC(C(=O)NCc2ccccc2N2CCCC2)CC1 895827617 FRTFAHMEPAVIFK-UHFFFAOYSA-N 298.430 3.649 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)CSc2ccccc21 899340660 IHQBKWAPNYANRV-MDWZMJQESA-N 296.395 3.980 30 20 CHED CC(=NNc1cc(Cl)ccc1C)c1cn(C)c(C)n1 901318239 REWVVHKOQOVCEP-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CC[C@@H](C(=O)N(O)Cc1ccc(F)cc1)c1ccccc1 901379280 UAPJFWCVRGROFF-MRXNPFEDSA-N 287.334 3.737 30 20 CHED CCCCOc1ccc(/C=C2\CCn3ccnc3C2=O)cc1 901531848 NMIDXHIWHAFKJI-FYWRMAATSA-N 296.370 3.732 30 20 CHED CC(C)c1ccc(OCc2cc(C#N)ccn2)cc1 902690134 HEOSIJIGEQRZBH-UHFFFAOYSA-N 252.317 3.656 30 20 CHED C=C1CCC(C(=O)Nc2cc(C(=O)O)c(C)cc2F)CC1 911688188 IUDDQDSNLGFVCP-UHFFFAOYSA-N 291.322 3.517 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](C)OC[C@H]1C 914498424 ZNODZMGGZKNEIA-HUUCEWRRSA-N 269.429 3.763 30 20 CHED N#CCCCCOC(=O)C1(c2cccc(Cl)c2)CCC1 914621073 YQGHNXGRZKOGDZ-UHFFFAOYSA-N 291.778 3.999 30 20 CHED C[C@@H]1CCCCN1[C@H](C)C/N=C/c1cc(Cl)ccc1O 915271432 URVMJEVFHQQORT-JHIOMVTJSA-N 294.826 3.727 30 20 CHED COc1ccc(NC(=S)NN=C2CCC[C@H](C)C2)cc1 915925176 JIDIQROYKRVLLF-NSHDSACASA-N 291.420 3.548 30 20 CHED CCCNN=Cc1cccc(Oc2ccccc2)c1 915965649 MXFLBEBXXYRLON-UHFFFAOYSA-N 254.333 3.812 30 20 CHED Oc1cccc(C=Nc2ccc(Cl)c(F)c2)c1O 915983343 YYHSMAAJEIUWJD-UHFFFAOYSA-N 265.671 3.641 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2cc(F)ccc2F)s1 915987277 BPCBKRDKIUZURN-RJRFIUFISA-N 294.278 3.621 30 20 CHED COc1cc(C=NNc2c(C)cc(C)cc2C)ccc1O 916339749 VRUOGIQOZUHTJV-UHFFFAOYSA-N 284.359 3.772 30 20 CHED C=C(C)COC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 917265149 JGYNZPSLNNTHRQ-CQSZACIVSA-N 297.354 3.955 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H](C)SC 918397698 LIFLPSZIKQSREK-CYBMUJFWSA-N 259.459 3.947 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(C)c([N+](=O)[O-])c1 920385396 BXBVUWWNSIMHNL-ZDUSSCGKSA-N 297.358 3.978 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cc2ccccc2[nH]1 926567523 HTBLKAKYIGDQCI-LBPRGKRZSA-N 255.365 3.758 30 20 CHED C=C[C@@H](CC)CC(=O)N1Cc2ccccc2[C@@H](C)C1 929375289 VEQDDIGTMVMJAJ-KBPBESRZSA-N 257.377 3.735 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(-c2ncc[nH]2)cc1 931271112 YKNAZOUNECCCSV-GFCCVEGCSA-N 269.348 3.618 30 20 CHED CC(=O)c1c(C)cc(C)c(CN2CCC[C@@H](C#N)C2)c1C 932162588 WXEWGMCKQCMYLG-INIZCTEOSA-N 284.403 3.550 30 20 CHED Cc1cccc2oc(C(=O)NCC(C)(C)CCC#N)cc12 935992513 IYIDKASIVRHTCL-UHFFFAOYSA-N 284.359 3.801 30 20 CHED Cc1nc(C)c(COC(=O)CC2(C#N)CCCCC2)s1 1118417225 SZUVHOLGQXTPSA-UHFFFAOYSA-N 292.404 3.667 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C)c2ccccc12 1121161141 OJAKUZDTEZZDPC-CQSZACIVSA-N 280.371 3.913 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1C[C@@H](C)C[C@@H]1C 1122596902 ZVJWLNVPQMAHSU-AVGNSLFASA-N 294.468 3.513 30 20 CHED C=C[C@@H](C(=O)N[C@H](C)c1nc(C)cs1)c1ccccc1 1123645882 VZVALDRIUASOPJ-TZMCWYRMSA-N 286.400 3.599 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1cccc(C2CC2)c1 1125534061 ACSTWFBYDWTGFZ-UHFFFAOYSA-N 292.338 3.697 30 20 CHED C[C@@H]1CC[C@H](CNc2nc(C#N)c(Cl)s2)C1 1186341773 AQOFITZNNFUZKL-SFYZADRCSA-N 255.774 3.516 30 20 CHED N#Cc1ccc(CSc2ncc3ccccn23)s1 1188154234 GMMHWQDDKVJZSK-UHFFFAOYSA-N 271.370 3.560 30 20 CHED COc1ccc(C#N)cc1NC(=O)N(C)c1cccc(C)c1 1214970439 XPRNZIKPEBQUAT-UHFFFAOYSA-N 295.342 3.544 30 20 CHED CCC[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)C1CCC1 1219799055 DAJPFQFGDHNLJT-HNNXBMFYSA-N 289.354 3.788 30 20 CHED C=C[C@H](Cc1nnc(-c2ccccn2)o1)c1ccccc1 1257651836 DETKLKOPUSYKSU-CYBMUJFWSA-N 277.327 3.644 30 20 CHED CN(Cc1cc2ccccc2[nH]1)Cc1ccc(F)cc1C#N 1319017532 SMLYJGMYSGKCBP-UHFFFAOYSA-N 293.345 3.811 30 20 CHED Cc1ccc(F)cc1NC(=O)CC#Cc1ccccc1 1319199712 GLUXMIWYINTTRU-UHFFFAOYSA-N 267.303 3.514 30 20 CHED N#Cc1ccnc(/C=C/c2ccc(Cl)c(F)c2)c1 1321614235 MBNFRHCNCRSUBM-HNQUOIGGSA-N 258.683 3.916 30 20 CHED C=CCC1(C(=O)Nc2ccc(OCC#N)cc2)CCCC1 1324760255 JUXUMGRLAMHERJ-UHFFFAOYSA-N 284.359 3.664 30 20 CHED CCCCCCCN[C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 1324965339 OQGQQJPYOVJMKY-OAGGEKHMSA-N 278.444 3.568 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(F)cc(OC)c1 1326227888 QYOJEFSJQBSRTK-UHFFFAOYSA-N 280.343 3.558 30 20 CHED CCC/C(C)=C/c1nnc(-c2cccc(C#N)c2)o1 1327304540 JRRPIAUOCXYBSI-DHZHZOJOSA-N 253.305 3.812 30 20 CHED C[C@H]1CCc2sc(-c3nnc(C#CC4CC4)o3)cc2C1 1329311214 XLHOOQYYQSOEHA-JTQLQIEISA-N 284.384 3.684 30 20 CHED N#Cc1cc(C(=O)NC2CCC(C3CCC3)CC2)cs1 1331145998 DRKPRYVSPYKZSU-UHFFFAOYSA-N 288.416 3.708 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(CN3CCCCC3)cc2)C1 1333735427 ZYBPETRUNQJIBZ-FUHWJXTLSA-N 283.419 3.777 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1nsc2ccccc12 1336237407 BPAPLSIPAFDERY-GFCCVEGCSA-N 286.400 3.867 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC(F)F)cc1F 1337504521 YPKDRZQJJJDELJ-UHFFFAOYSA-N 273.254 3.722 30 20 CHED CC(C)(CCC#N)CNCCc1coc(-c2ccccc2)n1 1339507769 CAIKATXYEBZRIM-UHFFFAOYSA-N 297.402 3.804 30 20 CHED C=C(C)CN(CC)c1nnc([C@H]2CCC(F)(F)C2)n1CC 1341208689 AKGSVCICZRXTQF-LBPRGKRZSA-N 298.381 3.603 30 20 CHED C=C[C@@H](CC)OC(=O)c1ncc(C(F)(F)F)cc1Cl 1343163865 BDOGBFIAKXEEIN-QMMMGPOBSA-N 293.672 3.875 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(C(F)(F)F)s1 1344415864 XGSAFIBQBYUTJM-UHFFFAOYSA-N 277.311 3.709 30 20 CHED Cc1ccc2c(c1C)N(C(=O)c1csc(C#N)c1)CCC2 1348436407 UTUPLNFZIJWJDE-UHFFFAOYSA-N 296.395 3.830 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)OCc1cc(C#N)ccc1F 1355239622 BICOMDZWXLYZOR-CYBMUJFWSA-N 297.329 3.853 30 20 CHED Cc1ccc(C(=O)OCc2ccc(F)cc2C)cc1C#N 1435651930 WSDXGZKTTYDFHW-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1466957289 QPOVGNMVSSLFLI-SJORKVTESA-N 284.403 3.578 30 20 CHED CCC1(CC)CCCN(Cc2cc(C#N)ccc2OC)C1 1473643514 VMDXXSYVUVJJPA-UHFFFAOYSA-N 286.419 3.969 30 20 CHED CC(C)[C@@H]1CCCN(Cc2cccc(F)c2C#N)CC1 1474321852 UORHVPZHXKLUNJ-CQSZACIVSA-N 274.383 3.955 30 20 CHED CN(C(=O)c1ccc(F)c2occc12)c1cccc(C#N)c1 1526601619 XEJUATCHDDILPX-UHFFFAOYSA-N 294.285 3.720 30 20 CHED CC(C)C[C@H](C)CC(=O)N1CCCc2cc(C#N)ccc21 1526759120 AGIYAJNPHAYZJX-AWEZNQCLSA-N 284.403 3.910 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2cc(F)cc(C#N)c2)cc1 1535375198 IGMLPMSSKYRWLV-CYBMUJFWSA-N 296.345 3.823 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1Cl 1535479783 ZXBLCTPKDDQBKA-AAEUAGOBSA-N 277.751 3.888 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H]2CCc3ccccc32)c1 1535892846 FVPRAIYDVWOOKD-INIZCTEOSA-N 290.366 3.925 30 20 CHED Cc1cc2c(NC(=O)[C@H]3CCC[C@@H](C)C3)n[nH]c2cc1C#N 1557353890 ZFYOGURFYOVFHN-PWSUYJOCSA-N 296.374 3.508 30 20 CHED CCCC[C@H](SCc1ccc(C#N)c(F)c1)C(=O)O 1595657275 KAEWAQRXDJSJJY-ZDUSSCGKSA-N 281.352 3.574 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)c1cc2ccccc2o1 1597095045 XXJIBRAZCDSWBB-UHFFFAOYSA-N 288.306 3.507 30 20 CHED C=C[C@@H](C(=O)Nc1ccc(C(=O)O)c(C)c1)c1ccccc1 1602713299 YFGCVDUMCSZABC-OAHLLOKOSA-N 295.338 3.602 30 20 CHED N#Cc1cccc([C@H](NCCC2=CCCCCC2)C(=O)O)c1 1608215630 NGGAYFQNBNDYLS-KRWDZBQOSA-N 298.386 3.554 30 20 CHED CC[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2C)[C@@H]1C 1623179710 RYFGVSNKHSWSGF-OCCSQVGLSA-N 271.364 3.519 30 20 CHED CC[C@H]1CCN(C(=O)Nc2scc(C)c2C#N)[C@H]1C 1624564718 YQWIJPJDMMOYQO-QWRGUYRKSA-N 277.393 3.581 30 20 CHED CCN(C(=O)c1cc(C#N)[nH]c1C)c1ccc(Cl)cc1 1635583331 AWNSUSCQHWBDPB-UHFFFAOYSA-N 287.750 3.515 30 20 CHED CC[C@H](C)[C@H](Sc1ccc(C#N)cc1Cl)C(=O)OC 1640999122 OOZKGZZAEPGHMT-ZANVPECISA-N 297.807 3.891 30 20 CHED N#Cc1cncc(NCc2ccc(-c3cccs3)cc2)n1 1642908113 NPOIDPWMZBDQOO-UHFFFAOYSA-N 292.367 3.689 30 20 CHED N#Cc1cccc(Br)c1NCc1ccoc1 1650690747 JHNKCDXIKFNMHM-UHFFFAOYSA-N 277.121 3.526 30 20 CHED CC(C)(C)CCNc1nccc(Oc2cccc(C#N)c2)n1 1651362885 QXZUZELLDIRPRV-UHFFFAOYSA-N 296.374 3.989 30 20 CHED N#Cc1nc(NCc2cccc(F)c2F)sc1Cl 1655727972 XWAFISYADOWMJL-UHFFFAOYSA-N 285.706 3.558 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1ccc(C#N)cc1F 1657851245 JDFIHTGQBXGHBV-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED Cc1cc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1C#N 1659194766 WBXJQMUIPKDAEE-BMGDILEWSA-N 268.404 3.877 30 20 CHED Cc1c(NN=C[C@@H]2[C@H]3CCCC[C@H]32)cccc1C(=O)O 1776089239 ITPFJNWZZBSDCC-WDNDVIMCSA-N 272.348 3.527 30 20 CHED C=C(C)CCCN1CC[C@@H]2C[C@H](CC(=O)O)CC[C@H]2C1 1776138798 SBZLQNAACROLJJ-OAGGEKHMSA-N 279.424 3.556 30 20 CHED C=CC(C)(C)CN=c1c(C(=O)O)c[nH]c2c(C)cc(C)cc12 1776147914 TUNXVZSBFRGZSC-UHFFFAOYSA-N 298.386 3.596 30 20 CHED C=CC[C@]1(C(=O)O)CCN(Cc2cccc3ccccc23)C1 1776162211 GVUSBGMPGKYIJZ-IBGZPJMESA-N 295.382 3.693 30 20 CHED C=CCCC[C@@H](NCc1cccc2cc(C)oc12)C(=O)O 1776207396 YVKGAAQJGYTRAA-OAHLLOKOSA-N 287.359 3.640 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1cncc(C(=O)O)c1 1776398818 KOWBHKBHTGGDIE-UFVXJIOISA-N 293.322 3.622 30 20 CHED CC1(C)CCC/C(=C\c2ccc(/C=C\C(=O)O)cc2)C1=O 1776548607 PBSJNJTWPVTLHV-IFBDVHKASA-N 284.355 3.947 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)s2)ccc1F 1777418419 FGXRVKRBKXFYOY-ZZXKWVIFSA-N 290.315 3.790 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)o2)s1 1777433769 IQOQKMOBWUDJMR-SNAWJCMRSA-N 276.313 3.552 30 20 CHED CSc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)o1 171960374 ZTUWQBIOLFHRIQ-VIFPVBQESA-N 298.323 3.633 30 20 CHED C#CCCCN[C@H](C)c1ccc(OC)c2ccccc12 178054983 WEWAXLBAHOPHPI-CQSZACIVSA-N 267.372 3.912 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccs1 24034547 TUPZPNODNAEOCP-AWEZNQCLSA-N 270.357 3.501 30 20 CHED N#C[C@@H](C(=O)c1ccccc1OC1CCC1)c1ccccn1 118599197 VIRONCFZPOCYEA-OAHLLOKOSA-N 292.338 3.503 30 20 CHED CC(C)(C)c1noc(CSCc2cccc(C#N)c2)n1 105631431 YNGMSDURPWVYLX-UHFFFAOYSA-N 287.388 3.672 30 20 CHED CCCCCCOc1ccc(C(=O)N[C@H](C#N)CC)cc1 102350979 DIFLGRCIJDXVEH-HNNXBMFYSA-N 288.391 3.678 30 20 CHED N#CCN(C(=O)C1(Cc2ccccc2)CC1)c1ccccc1 176999019 MZMPSPYPTXPNHI-UHFFFAOYSA-N 290.366 3.566 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)CC1=CCCCC1 106598678 ORSXMCODUVRVTD-UHFFFAOYSA-N 285.343 3.753 30 20 CHED CN(CCC1CCCCC1)C(=O)Cc1ccc(C#N)cc1 170634511 WIWOIUPJUBCGAY-UHFFFAOYSA-N 284.403 3.530 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 55862385 PVEDWVGIJRCHJA-QGZVFWFLSA-N 294.329 3.675 30 20 CHED CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@H](C)C(C)C 65461209 OFUNRIWLGUYZDJ-ZIAGYGMSSA-N 287.407 3.695 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 111901356 WSLYYFYVOGQFHL-IAGOWNOFSA-N 284.403 3.706 30 20 CHED Cc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)c[nH]2)o1 171909804 SSYZHCMRRACAIU-CSKARUKUSA-N 278.311 3.874 30 20 CHED C=CCC[C@@H](NCc1cccnc1OC)c1ccccc1 178756584 DYGVGIFYISYLPF-QGZVFWFLSA-N 282.387 3.887 30 20 CHED CC[C@](C)(NCCCC(C)(C)C#N)c1nccs1 174871784 FNKXZHZBGHQAMT-AWEZNQCLSA-N 265.426 3.688 30 20 CHED Cc1cc(C(=O)N(CC#N)c2ccccc2)ccc1Cl 177358840 BLHVXAVEVQASLQ-UHFFFAOYSA-N 284.746 3.819 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1-c1nc(C)no1 179774986 DBXXWGTZTQOQAF-GFCCVEGCSA-N 299.374 3.520 30 20 CHED N#Cc1ccc(N[C@H]2CCCC[C@@H]2Cc2ccccc2)nn1 301952120 CASIUFNTBZBVSM-WBVHZDCISA-N 292.386 3.562 30 20 CHED C/C(=C\c1ccccc1)CN(CCC#N)CC1CC1 179453931 CIEUOWLMCMUBFX-NTCAYCPXSA-N 254.377 3.716 30 20 CHED C=C(C)COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 176659064 YNMNOXCVWVKBGB-CQSZACIVSA-N 286.331 3.543 30 20 CHED C=C(C)CNC(=S)N(C)c1ccc(C(C)(C)C)cc1 60432001 NWDGEKVELDWGLA-UHFFFAOYSA-N 276.449 3.871 30 20 CHED C[C@H](OC(=O)CCc1ccsc1)c1ccc(C#N)cc1 175753861 LTVVYPGDYBHRFF-LBPRGKRZSA-N 285.368 3.857 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C/c1ccccc1C#N 171661418 BXMXQEMRSCWHIV-MDZDMXLPSA-N 295.386 3.550 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(Cl)cnn2C)c(C)c1 122630818 UAZHWTORLGXFOF-VOTSOKGWSA-N 274.751 3.586 30 20 CHED CC(C)Cc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 189582307 NGPSUTDJMHMOLH-OAHLLOKOSA-N 295.430 3.946 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1ccccc1 182094742 YMIWPJGFLAAPKE-AWEZNQCLSA-N 294.354 3.549 30 20 CHED N#Cc1ccc(CN(C(=O)C2=CCCCCC2)C2CC2)cc1 185730597 RUVYQKBRQNIGKT-UHFFFAOYSA-N 294.398 3.940 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](CN2CCCC2)C1 127838993 CPPUOEWLRMQMRI-KRWDZBQOSA-N 294.483 3.681 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@H]1CCCC 180965665 GPTOCFZXBPOYAC-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2ccc(C#N)cn2)c1 301434445 HBFPGWKUJBVSEX-AWEZNQCLSA-N 265.360 3.613 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1cccc2ccccc12 128145780 VKXJHRWVRLJAQF-ZDUSSCGKSA-N 268.360 3.556 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 184974504 WLNKMJGERMYZQI-LBPRGKRZSA-N 295.329 3.659 30 20 CHED CCN(CC)C(=O)Nc1ccccc1SC[C@H](C)C#N 78573465 PWOAKVHINQBBDP-GFCCVEGCSA-N 291.420 3.812 30 20 CHED CC[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@H]1CC1(C)C 416718642 DPSJCRXNCLOPFP-HZPDHXFCSA-N 299.418 3.524 30 20 CHED C=CCC1(C(=O)N[C@@H](C)[C@](C)(OC)C2CC2)CCCCC1 415920169 OUXGOCSVEPXNNH-YOEHRIQHSA-N 293.451 3.833 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2)C1 508251359 WWSOHSJGEBDBCP-ZBFHGGJFSA-N 285.391 3.895 30 20 CHED CC(C)(CCC#N)CNc1ccc(-n2ccnc2)cc1 155931429 NBMPSBLOWRHSDN-UHFFFAOYSA-N 268.364 3.614 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)Cc1cccc(Cl)c1 410833826 ICPNPBXHKGJDKS-DOMZBBRYSA-N 292.810 3.669 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC1CC2(CCC2)C1 418142661 HPHRHXCFWJQHTJ-QGZVFWFLSA-N 266.388 3.858 30 20 CHED CCC(CC)CNC1CCN(Cc2ccc(C#N)cc2)CC1 181719446 HZOJRXZHFOYJCW-UHFFFAOYSA-N 299.462 3.548 30 20 CHED CC[C@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 74917152 PPPDYNMOWVELFZ-BBRMVZONSA-N 285.391 3.593 30 20 CHED C=C(C)CN(C)Cc1csc(-c2ccccc2F)n1 181291160 PYEFPFUWDGTFOA-UHFFFAOYSA-N 276.380 3.957 30 20 CHED Cc1cccc([C@@H](C)NCCCSCC#N)c1C 183738768 OEFMZAJOSNCJEC-CQSZACIVSA-N 262.422 3.601 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccnc(OC3CCCC3)c2)C1 185777259 XRHZMBMBUGLKDY-GDBMZVCRSA-N 299.418 3.575 30 20 CHED COc1cc([C@@H](C)N[C@@H](C)CCC#N)ccc1OC(C)C 411450212 MZEAHNRHGPLBRU-UONOGXRCSA-N 290.407 3.825 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 410142808 ZZDWUSVAQXBDGX-CAEXGNQWSA-N 287.403 3.977 30 20 CHED Cc1oc2ccccc2c1CNC(=O)c1cc(C#N)cs1 184049359 RZRAITDXVYNBPR-UHFFFAOYSA-N 296.351 3.604 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC=CCC1 412837306 HNOUEUMGOHXCIV-SJORKVTESA-N 269.388 3.646 30 20 CHED N#C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C1CCCCC1 315052708 MOCUJVPLUAVUSO-QZTJIDSGSA-N 296.414 3.695 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(CC)nc2C)c1 185725506 FBXGFWZNXZGONY-UHFFFAOYSA-N 296.370 3.770 30 20 CHED COc1ccccc1/C(C)=C/C(=O)O[C@@H](C)C(C)(C)C#N 131146777 FBHTYVVZPZPSNL-XSNHNAGMSA-N 287.359 3.580 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N[C@H](C#N)C2CCCCC2)cc1 182295418 UPNDLTFXSDGYMO-CRAIPNDOSA-N 298.430 3.762 30 20 CHED CCn1c(NCc2ccc(C#N)s2)nc2cc(C)ccc21 185748961 YYHDNYGKEUBXPK-UHFFFAOYSA-N 296.399 3.910 30 20 CHED C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1cccc(C#N)c1 502504914 ANPYISXZKOUZDJ-KCPJHIHWSA-N 294.345 3.759 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](CC)Sc1ccccc1 180386262 YUMIKGQNBYJPAX-CQSZACIVSA-N 263.406 3.592 30 20 CHED CC(C)c1nn(C)c(Cl)c1CNc1ccc(C#N)cc1 132859772 ZYJOMIFZNYZTAE-UHFFFAOYSA-N 288.782 3.681 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3ccccc3)C2)CCC1 190703362 XXYHXRKMRTXYJT-INIZCTEOSA-N 269.388 3.749 30 20 CHED CN(C(=O)NCC1(CC#N)CC1)[C@@H]1CCC[C@H]1C(C)(C)C 419520103 LSCLYWKRKUSUHO-ZIAGYGMSSA-N 291.439 3.536 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](CC(C)C)C1 81065394 HETLQECIMCUHDY-HNNXBMFYSA-N 285.391 3.767 30 20 CHED C=CC[C@H](C(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1 509384806 BPYZCEBWGIBPHO-LTFXXXRZSA-N 295.426 3.851 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CC1 329878616 LBUSVPLTFSJLDG-IPYPFGDCSA-N 288.391 3.931 30 20 CHED Cc1nnc(SCc2cccc(Cl)c2)c(C#N)c1C 193053080 NAEUVTLHJQIIHA-UHFFFAOYSA-N 289.791 3.911 30 20 CHED C=CCN(CC=C)C(=O)CC[C@@H](C)c1ccccc1 137116944 VPHOJUTWRFWCGM-OAHLLOKOSA-N 257.377 3.771 30 20 CHED C#C[C@H](NCc1csc(-c2ccsc2)n1)C(C)C 289573309 SPWDEXBRBYXNOX-ZDUSSCGKSA-N 276.430 3.619 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnn([C@H](C)CC)c1C 424803350 MEIQWIPEHLUHIA-LLVKDONJSA-N 263.385 3.703 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1ccccc1F 194588961 UVDHPVUYAWRWJK-MDZDMXLPSA-N 251.260 3.593 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NCc1cccc(C#N)c1 135769005 KPWPGPRNJROLHJ-UHFFFAOYSA-N 281.315 3.695 30 20 CHED Cc1cccc(-c2cncc(C(=O)O[C@@H](C#N)C(C)C)c2)c1 132165712 GWBYGZFFFJTHFE-KRWDZBQOSA-N 294.354 3.762 30 20 CHED C#CCCCNC1CC(c2ccc(Br)cc2)C1 194061309 IQXWPNZDNCBPGM-UHFFFAOYSA-N 292.220 3.698 30 20 CHED CCC[C@@H](N/C(O)=N/Cc1ncoc1C)C1CCCCC1 329097447 CGKAQNPVZIPCGO-CQSZACIVSA-N 293.411 3.736 30 20 CHED N#Cc1cnc2ccccc2c1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 320182841 RTXOTAVFCDDSKC-PYTWLRIVSA-N 289.382 3.589 30 20 CHED CC1(C)SC[C@H]1/N=C(/O)Nc1nc2ccccc2s1 328746331 OOCFYAYISLHQJD-SNVBAGLBSA-N 293.417 3.516 30 20 CHED Cc1cccc(-c2[nH]ncc2CNc2ccc(C#N)cc2)c1 132851346 AYYQOWDDHRGQPV-UHFFFAOYSA-N 288.354 3.869 30 20 CHED Cc1cc(C2CC2)nc(N=C(O)[C@H]2CC[C@@H](C)C2)n1 329782973 UUNPJFSVGMDALO-SKDRFNHKSA-N 259.353 3.687 30 20 CHED CCN(CCC#N)Cc1csc(-c2ccc(F)cc2)n1 81513844 YIYRMEYGZWRPKW-UHFFFAOYSA-N 289.379 3.685 30 20 CHED CCN(C[C@@H]1CCC=CO1)[C@@H](C)c1ccc(C#N)cc1 193717897 ACSUHAIJKLBBHO-YOEHRIQHSA-N 270.376 3.634 30 20 CHED COc1cccc(/C=N\[C@H](C)c2ccc(C)cc2)c1O 48627730 FECDZLVACATIER-NCUBORBFSA-N 269.344 3.889 30 20 CHED C=CCC1(C(=O)N2C[C@H](CC)O[C@H](CC)C2)CCCC1 421967132 GQCKRLVYWQJZMO-GASCZTMLSA-N 279.424 3.539 30 20 CHED CSc1ccc(Cl)cc1NC(=O)N(C)[C@@H](C)CC#N 86284359 WPJWPKWTPYGPKL-VIFPVBQESA-N 297.811 3.828 30 20 CHED C=C(CNC(=O)N1CCc2cc(F)ccc21)c1ccccc1 512664594 ALHLOEIRROOEFX-UHFFFAOYSA-N 296.345 3.611 30 20 CHED C=CC[C@H](C)N[C@@H]1CCSc2ccc(OC)cc21 191532370 RHXHZBPWLRXBCV-SMDDNHRTSA-N 263.406 3.786 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNc2ncccc2F)c1 84486768 FTXCRXNTPJTTRT-ZDUSSCGKSA-N 285.322 3.514 30 20 CHED CCC[C@H](C)N(C)C(O)=Nc1cnn([C@H](C)CC)c1C 331141990 RHLPFEQZLUMLAX-NEPJUHHUSA-N 280.416 3.828 30 20 CHED CCC[C@H](CC)/N=C(/O)Nc1cccc2c1CCO2 331214070 MMIHPYCMUDDBSK-NSHDSACASA-N 262.353 3.526 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1C(C)C 336192104 FZWWVTUUSMQYBF-OAHLLOKOSA-N 271.364 3.519 30 20 CHED Cc1nnc([C@H](C)Sc2ccc(C#N)cc2F)s1 334809797 KINPKAYMOBAZOT-ZETCQYMHSA-N 279.365 3.711 30 20 CHED C=CCOCCN1CCC(c2c(C)[nH]c3ccccc23)CC1 338919204 DDWJDOOOVMDFMB-UHFFFAOYSA-N 298.430 3.858 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc(-c3ccn[nH]3)c2)C1 193586418 FBGNNOFXHFMFMV-TZMCWYRMSA-N 266.348 3.571 30 20 CHED N#CCCC1CCN(Cc2ccc(OC(F)F)cc2)CC1 517232733 HYQLKRLIEWOEQM-UHFFFAOYSA-N 294.345 3.804 30 20 CHED CCCCC1CCC(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 424974348 DQBWNBAEKGRNJM-BHDPWAOGSA-N 276.424 3.791 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCC(C)(C)C1 425120506 ATXYHPZKPFADMI-BBRMVZONSA-N 284.403 3.904 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1[N+](=O)[O-] 194973314 KEDCFKWCFZJDOB-ZDUSSCGKSA-N 295.342 3.659 30 20 CHED Cc1cc(F)cc2c1CN(Cc1ccccc1C#N)CC2 337404099 LVJSRDQREKRBFY-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)c1ccccc1F)OCC 339393645 LXFWQKJNRPRJTL-OAHLLOKOSA-N 279.355 3.550 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(O)c(COC(C)C)c1 424837409 YEYRTMQDEUQJBE-UHFFFAOYSA-N 291.391 3.858 30 20 CHED N#Cc1ccc(CN[C@@H]2CCOC3(CCCCC3)C2)cc1 94368334 UHIWDFUPZUCPQQ-QGZVFWFLSA-N 284.403 3.530 30 20 CHED N#Cc1ccnc(Sc2cccc(C(=N)O)c2)c1Cl 335701397 CQYOOMUZBKOGOU-UHFFFAOYSA-N 289.747 3.641 30 20 CHED CC1(C(=O)Nc2ccc(CC#N)cc2Cl)CCC1 334646574 YHNHIZPZZCEELT-UHFFFAOYSA-N 262.740 3.535 30 20 CHED N#Cc1ccn(Cc2c(Cl)cccc2Cl)c1 339192161 MLUSXFADMPGGRG-UHFFFAOYSA-N 251.116 3.715 30 20 CHED N#CC[C@@H]1CC[C@H](NC(=O)c2cc(F)c3ccccc3c2)C1 334577274 QGRNYLRJZFBVQA-WFASDCNBSA-N 296.345 3.791 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(F)c(Br)c1 339472496 OHARELWGJRVHBL-SECBINFHSA-N 297.171 3.543 30 20 CHED CCC1(CC)CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 94593187 KRWOWKCCEAPPFO-UHFFFAOYSA-N 287.363 3.873 30 20 CHED Cc1cc(-c2nc([C@H]3CCC[C@@H](C)C3)no2)ncc1C#N 331590633 BDIHSFRNCUVSHI-PWSUYJOCSA-N 282.347 3.605 30 20 CHED CSc1ccc(NC(=O)c2cccc(C#N)c2C)cc1 337897072 MJKSVBIEJVXRPR-UHFFFAOYSA-N 282.368 3.841 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(Cl)cc1F 335819872 DKNUGBPCLXACEE-UHFFFAOYSA-N 278.670 3.505 30 20 CHED C#CCOc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)cc1 93315844 QFPGRNOQVBKPGC-HNNXBMFYSA-N 295.382 3.597 30 20 CHED C=CCN(CCN1CCCCC1)Cc1ccc(Cl)s1 523020622 XREAADDFIKVBIC-UHFFFAOYSA-N 298.883 3.875 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc2c(c1)CCC2 436290250 IYEMMUAOYDRICJ-JVPBZIDWSA-N 285.431 3.807 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 246961839 JTSAWOJWSJOILD-LEWSCRJBSA-N 263.768 3.524 30 20 CHED CN(CCSc1cccc(C#N)c1)Cc1ccccc1 430134588 PDXSTSMVRDVUDT-UHFFFAOYSA-N 282.412 3.782 30 20 CHED C=CCCOCCNc1c(C)cnc2c(OC)cccc12 345137248 UNCAYMPUAXVDGC-UHFFFAOYSA-N 286.375 3.556 30 20 CHED Cc1oc2ccccc2c1CN=c1[nH]ccc(C#N)c1Cl 342880050 GEPULVLMNZDBGN-UHFFFAOYSA-N 297.745 3.695 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1 245422646 ACSIERODDKVACJ-ZDEQEGDKSA-N 288.416 3.879 30 20 CHED CCc1ncc(CN[C@H](CCC#N)c2ccccc2)s1 344830939 SUYVTZDYAAVDKT-OAHLLOKOSA-N 285.416 3.840 30 20 CHED N#CC1(NC(=O)c2cccc(Nc3ccccc3)c2)CCC1 609822063 OUGKEMBKUYFSNC-UHFFFAOYSA-N 291.354 3.606 30 20 CHED Cc1ccc2c(c1C)OC[C@@H]2Nc1c(C#N)cccc1C#N 436406765 RSTKWNWCRPUEAD-INIZCTEOSA-N 289.338 3.592 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H]1SCC 343623441 OYDBDYFUXPGHDJ-ZIAGYGMSSA-N 267.438 3.545 30 20 CHED C[C@@H](CCC#N)CN(C)[C@@H]1CCCN(c2ccccc2)C1 602475323 SVAPXTVROJUDMI-FUHWJXTLSA-N 285.435 3.527 30 20 CHED CCc1cc(OC)ccc1/C=C/c1ccncc1C#N 349115924 YDYOAHGSJZICMS-SNAWJCMRSA-N 264.328 3.695 30 20 CHED N#Cc1cc(C(=O)Nc2nc3ccccc3s2)ccc1F 348629605 GARIZHWQLYENCG-UHFFFAOYSA-N 297.314 3.559 30 20 CHED N#Cc1cnccc1/C=C\c1ccc([N+](=O)[O-])cc1Cl 349113067 PRBZSCHZCQWQHJ-UPHRSURJSA-N 285.690 3.685 30 20 CHED CCSc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 349798593 FRVXMVVCPBBNHO-JSGCOSHPSA-N 260.406 3.580 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](c1ncc(C)s1)C1CC1 341600714 WDGDIUIYTGVDGE-STQMWFEESA-N 293.436 3.557 30 20 CHED Cc1ccc(SC[C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 442842463 IFMDYECBEHSZON-ZNMIVQPWSA-N 274.433 3.758 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)cc1 609116911 MGFUMOGPBGOEMM-GDBMZVCRSA-N 270.376 3.647 30 20 CHED C[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 443522309 YNHVMXAIYASVAJ-JTQLQIEISA-N 283.297 3.598 30 20 CHED C=C1CCN(C(=O)Cc2cc3ccccc3s2)CC1 448912051 OZZVKGIRADCWLX-UHFFFAOYSA-N 271.385 3.622 30 20 CHED C=CCOc1cccnc1-c1nc([C@@H]2CCCC[C@H]2C)no1 356581946 HLTFXINSPRZTAQ-CHWSQXEVSA-N 299.374 3.990 30 20 CHED CC[C@H](C)c1nnc(N(CCC#N)CCC(C)C)n1CC 358600569 SDIJXCYGTMHDQD-AWEZNQCLSA-N 291.443 3.578 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1occc1C 255710667 FLQRFAZAPMHOTF-HJWRWDBZSA-N 256.301 3.883 30 20 CHED C=CCC[C@@H](NCc1ccccc1OCC)C1CC1 533498510 HKEBPROZIKEKPD-MRXNPFEDSA-N 259.393 3.920 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc2c1CCCC2)OCC 535911603 OIMFYHCFKRYKGR-KRWDZBQOSA-N 287.403 3.875 30 20 CHED CC(C)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 353018007 DIGSPUBZGWMYOY-UHFFFAOYSA-N 290.382 3.587 30 20 CHED C=CCCCCCn1cnc2sc(C)c(C)c2c1=O 447305009 XTWDKORYLQZVEP-UHFFFAOYSA-N 276.405 3.821 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCCc3sccc32)CC1 356812774 LQXFTTKLWAHIOR-CYBMUJFWSA-N 275.417 3.988 30 20 CHED N#Cc1cnc2c(F)ccc(F)c2c1N1[C@H]2CCC[C@H]1CC2 610647789 WPJIWMSTKITGFM-RYUDHWBXSA-N 299.324 3.906 30 20 CHED C=C(C)COc1cc(CN2C[C@H](C)[C@@H](C)C2)ccc1OC 539825051 KPMDJZIFLBLIDM-GJZGRUSLSA-N 289.419 3.738 30 20 CHED CCC[C@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 611249615 FVGWUWMSJLLAAD-CVEARBPZSA-N 272.392 3.625 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@]1(C)C[C@@H]1c1ccccc1 356481583 UHNSICVHANOGLV-MJGOQNOKSA-N 290.366 3.543 30 20 CHED C=C(CC)CN[C@@H](C)c1nc2c(s1)CCCC2 355277781 JXBOBOMZBNUQAI-NSHDSACASA-N 250.411 3.639 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc2ccccc2c1 267210666 HGTHQKBRYSYELH-OAHLLOKOSA-N 266.344 3.508 30 20 CHED CC(C)(C#N)CN[C@@H]1CCC[C@H]1c1ccc(F)cc1 613540421 WATNDBASNHIPGH-LSDHHAIUSA-N 260.356 3.601 30 20 CHED C=CC[C@H](CO)CNCc1ccc(-c2ccccc2)cc1 537021962 SXRMIUSIXDEKCF-KRWDZBQOSA-N 281.399 3.628 30 20 CHED CCC(CC)CNC(=O)C[C@H](CC#N)c1ccccc1 355670947 KZRLSBPZCMOPFB-INIZCTEOSA-N 272.392 3.626 30 20 CHED C=CCCC1(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)CC1 356706537 FEVFPIASEATDCG-ZBFHGGJFSA-N 261.409 3.772 30 20 CHED CC(C)CN(C(=O)C1CC=CC1)c1ccc(C#N)cc1 610121474 DHJPCCIMGIGYDV-UHFFFAOYSA-N 268.360 3.513 30 20 CHED CC[C@@H](C)CCCCC(=O)NCc1cccc(C#N)c1 612010655 LTHUBSGAHBZYBQ-CQSZACIVSA-N 272.392 3.781 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1ccc(C)cc1 531101631 SZNXUHBAJPKBNH-UHFFFAOYSA-N 274.408 3.612 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 459323801 VPEIGEFJDZRVJX-SNPRPXQTSA-N 290.432 3.634 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](CC)c1ccc(OC)cc1 455371485 SITWGRXEABTYRX-HNNXBMFYSA-N 290.407 3.658 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)C(=O)NCC(C)(C)CC#N 457990903 IDVBXAWPNSXLHE-LBPRGKRZSA-N 292.810 3.575 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc([C@H]2CCOC2)cc1 455672235 ZJRUXGPCGIULMP-AWEZNQCLSA-N 288.391 3.524 30 20 CHED CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2C)C12CCC2 614402934 ZPECBOVDOYOEGC-MSOLQXFVSA-N 298.430 3.646 30 20 CHED Cc1ccc(-c2cc(CN3CCC[C@](C)(C#N)C3)on2)cc1 612165328 LVFQIJGORKRBGF-GOSISDBHSA-N 295.386 3.776 30 20 CHED C=C(C)CCNC(=O)C(C)(C)c1cccc(Cl)c1 452721314 ZRHVZVUFWHPQHY-UHFFFAOYSA-N 265.784 3.700 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1nccc2c(OC)cccc12 450501473 PRVHWXRYUGQUDY-CXAGYDPISA-N 298.386 3.637 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)c(F)cc2OC)CC1 362316814 SSYOSJXMGIXBQY-UHFFFAOYSA-N 281.302 3.658 30 20 CHED CC(C)CCOCCN[C@@H]1CCCc2cc(C#N)ccc21 611392372 OHQCABBUBHMTCY-GOSISDBHSA-N 286.419 3.588 30 20 CHED C=C(C)CCNC(=O)NC1(c2ccc(Cl)cc2)CC1 458400292 YZJMHHOYMVJXPM-UHFFFAOYSA-N 278.783 3.595 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(-c2cnco2)c1 614132599 JLVNRPZEDRTFAU-HNNXBMFYSA-N 282.343 3.522 30 20 CHED C=C(CNC(=O)c1c(F)cc(F)cc1F)c1ccccc1 360213475 PLNNZQHBHWPHDM-UHFFFAOYSA-N 291.272 3.547 30 20 CHED Cc1nc(CNc2c(Cl)cccc2C#N)cs1 610514833 CZQSPAIEFUUUJA-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C#CCCCC(=O)N1CC[C@](C)(CCc2ccccc2)C1 276984122 HJYGSUYRIKHDOF-IBGZPJMESA-N 283.415 3.661 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 369295442 WIALHABQSAHWIH-HOCLYGCPSA-N 290.382 3.679 30 20 CHED CC(C)[C@H](CNC(=O)CC(C)(C)C#N)Cc1ccccc1 278674704 CVBBLQLNIPTUIW-INIZCTEOSA-N 286.419 3.557 30 20 CHED CC(C)(C)OCCCNc1cccc(OCCCC#N)c1 610681169 MDUISRHSOZBIFA-UHFFFAOYSA-N 290.407 3.986 30 20 CHED C=CCC[C@@H](N[C@@H]1CCN(C(C)=O)c2ccccc21)C1CC1 362032409 LWSLELURJDLMIO-QZTJIDSGSA-N 298.430 3.819 30 20 CHED C[C@@H](C#N)CNCc1ccc(-c2ccccc2)cc1F 544599984 UYYIXSNZDNEEOP-ZDUSSCGKSA-N 268.335 3.742 30 20 CHED C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C#N)c(F)c1 271945682 QAZPELHKWFQBRB-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED CCc1ccc(-c2ccc(C(=O)NC(C)(C)C#N)o2)cc1 542829872 INWHCRQLDHBSBC-UHFFFAOYSA-N 282.343 3.541 30 20 CHED Cc1noc(C)c1CNc1ccc(CC#N)cc1Cl 453142217 YWLSNECWANXUTB-UHFFFAOYSA-N 275.739 3.623 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC(=C)CC 455523541 OMICLYVPJVVDGA-UHFFFAOYSA-N 272.392 3.741 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccccc1C(C)(F)F 455769145 JGQWZTJUSMSMGQ-JTQLQIEISA-N 281.306 3.612 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC1(c2ccc(OC)cc2)CC1 540723048 DHLZNPDKSGOEBB-ZIAGYGMSSA-N 259.393 3.875 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC=C(F)C1 271655665 TVZSDLRGXHPXII-UHFFFAOYSA-N 258.340 3.547 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1c(C)cccc1C 546913595 XNRJUDQJSQNYRP-KGLIPLIRSA-N 260.381 3.628 30 20 CHED C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 271426769 CVEFAZHLJSDQMO-IFXJQAMLSA-N 292.382 3.927 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1 624633583 OZOJDCCINGXCOK-RRFJBIMHSA-N 280.371 3.977 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cnn(-c2ccccc2)c1C 455004362 VCICEETYWPKQLH-UHFFFAOYSA-N 298.390 3.514 30 20 CHED C=C(C)CCNC(=O)N1CCCCC[C@H]1c1ccncc1 459025916 RDFITWNONFRBAZ-INIZCTEOSA-N 287.407 3.675 30 20 CHED N#CCc1cccc(-c2nc(Cc3cccc(F)c3)no2)c1 546255991 ZVRNGQLANIWDQV-UHFFFAOYSA-N 293.301 3.533 30 20 CHED C=CCC1(NCC(=O)N(C(C)C)C(C)C)CCCCC1 625937614 JPAZXMBJVZKQLX-UHFFFAOYSA-N 280.456 3.500 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCCOc2ccc(F)cc21 367468786 DIGDQYUJTCULGD-OAHLLOKOSA-N 290.382 3.959 30 20 CHED C[C@@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1 272385809 FXVFBIHOSAKPJQ-SUMWQHHRSA-N 272.392 3.625 30 20 CHED Cc1oc2ccccc2c1CNCC(C)(C)CC#N 459731426 NPQRCRTZSMXEID-UHFFFAOYSA-N 256.349 3.771 30 20 CHED C=CCC[C@@H](NCC1(COC)CCCC1)C1CC1 453395161 XGDNTCDHDGKEEJ-OAHLLOKOSA-N 251.414 3.528 30 20 CHED C=CCCCCNC(=O)Nc1c(F)cc(F)cc1F 274798001 JIYPZJBHZNFGMH-UHFFFAOYSA-N 272.270 3.582 30 20 CHED C=CCOCCCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 549158010 YQJIEDXVFGVMFQ-REPLKXPHSA-N 285.431 3.990 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@](C)(C#N)CCc2ccccc2)C1 542896557 VZIAVXXYJCJDBJ-APWZRJJASA-N 298.430 3.844 30 20 CHED CC#CCCCC(=O)Nc1ccc(OCC)c(Cl)c1 464437434 AYLSAPDXVMBQPM-UHFFFAOYSA-N 279.767 3.871 30 20 CHED C=CCCCC(=O)N[C@H](COC)c1cccc(Cl)c1 289902359 XRCANIROILQHKB-CQSZACIVSA-N 281.783 3.500 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC(C)(C)CC 465137963 JEQOVMSZTJVICA-UHFFFAOYSA-N 266.429 3.991 30 20 CHED CO[C@@]1(C)CCCN([C@H](C)c2ccc(C#N)cc2)CC1 280635088 XROUMRRKCICKIG-PBHICJAKSA-N 272.392 3.510 30 20 CHED CC(C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 465666605 WBVJRDJEKZVJAP-GOEBONIOSA-N 299.418 3.697 30 20 CHED Cc1cccc(CCCN[C@H](C)c2ccc(C#N)c(F)c2)n1 287692483 WSZJMIJUYZTNGU-CQSZACIVSA-N 297.377 3.684 30 20 CHED CC[C@H]1CCCCCN1C(=O)[C@@H](C)c1cccc(C#N)c1 462206798 ISZOPLFTVRNRJM-YOEHRIQHSA-N 284.403 3.843 30 20 CHED CCC(CC)N=c1c(C#N)c[nH]c2c(F)c(F)c(F)cc12 552885261 GTKVBEXXFBSUSW-UHFFFAOYSA-N 293.292 3.546 30 20 CHED C=CCCc1nc(-c2cccc(Cl)c2F)no1 460528418 QAMCDPXFDJUIHT-UHFFFAOYSA-N 252.676 3.648 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(NC(C)=O)cc1 281148496 ASFRNOJYEJNLRF-IUODEOHRSA-N 260.381 3.650 30 20 CHED CC[C@@H](C#N)NC(=O)c1coc2ccc(C(C)C)cc12 286194234 RBDTWWNWMNTEMU-LBPRGKRZSA-N 270.332 3.588 30 20 CHED CSc1ccc([C@H](C)N=c2cc(C)[nH]c(C#N)c2)cc1 553228286 AARWLHNHDWIQPN-LBPRGKRZSA-N 283.400 3.579 30 20 CHED C[C@H](C#N)OCCN1Cc2ccccc2-c2ccccc2C1 801917245 VXLUSNPGBIGKDM-OAHLLOKOSA-N 292.382 3.598 30 20 CHED CN(Cc1csc(-c2cccs2)n1)CC(C)(C)C#N 560569355 HCNXOGJZKTYDKV-UHFFFAOYSA-N 291.445 3.853 30 20 CHED CC(C)N(Cc1ccco1)C(=O)Nc1cccc(C#N)c1 298725518 MPOZARHDDUKJNI-UHFFFAOYSA-N 283.331 3.594 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N[C@H](C)C[C@H](C)CC 806873503 CKCJIEHCDIGNSY-HZPDHXFCSA-N 286.419 3.656 30 20 CHED C=CCC[C@@H](CC)N[C@@H](CN(C)C)c1ccc(F)cc1 562056256 QBECJXZXCDLNRC-SJORKVTESA-N 278.415 3.763 30 20 CHED CCC[C@](C)(CC)C(=O)N1CCc2ccc(C#N)cc21 476456154 YAGYZTXIPUZSGN-KRWDZBQOSA-N 270.376 3.664 30 20 CHED CC#CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 801181844 FHAMPZNWSPAVGK-OAHLLOKOSA-N 293.366 3.505 30 20 CHED CC(C)Oc1cc(N[C@H](CCC#N)c2ccccc2)ncn1 298876784 KQWXDHHZMJTKFH-OAHLLOKOSA-N 296.374 3.721 30 20 CHED C=CCN(Cc1cccs1)[C@H](C)c1ccc(C(=O)O)o1 567742557 KSZXWZJHERMSGW-LLVKDONJSA-N 291.372 3.789 30 20 CHED Cc1c(CN[C@H]2CCC[C@H](C#N)C2)n(C)c2ccccc12 475199947 XUOGKLAVJASLSR-GJZGRUSLSA-N 281.403 3.659 30 20 CHED N#CCCCC(=O)N[C@H](c1ccccc1F)C1CCCC1 291993981 WEIOQHGWBBRRNI-KRWDZBQOSA-N 288.366 3.867 30 20 CHED CCC(C)(C)c1ccc(NCCO[C@H](C)C#N)cc1 802746257 IZGVBQCSWXJOBS-CYBMUJFWSA-N 260.381 3.715 30 20 CHED CC#CC(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F 801185901 DJNZNNULSCPUCB-HNNXBMFYSA-N 291.272 3.583 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCCC1CCOCC1 295814366 CXSRSKKDVZBBLJ-UHFFFAOYSA-N 288.391 3.574 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1Cl 292304994 UZTMXUYHYBBQQF-UHFFFAOYSA-N 251.757 3.559 30 20 CHED C[C@H]1CN(c2cccnc2C#N)CC[C@H]1c1ccccc1 569163701 LPOMIBHLYMHMRJ-GOEBONIOSA-N 277.371 3.583 30 20 CHED C=CCCCN(C)c1nnc([C@@H](C)CC)n1C1CC1 568111643 GUXDXLJZXAAAIJ-LBPRGKRZSA-N 262.401 3.529 30 20 CHED C[C@]12CCN(c3cccc(F)c3C#N)C[C@@H]1C2(Cl)Cl 804706201 QDWCSSKTHDPTAH-STQMWFEESA-N 299.176 3.717 30 20 CHED C#CCCCCC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 807886387 QGJFVRIEBIOZIN-GJZGRUSLSA-N 263.425 3.853 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(Cl)cc1C 291465356 OGDQKYZYQVXQPR-CYBMUJFWSA-N 252.745 3.584 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(C)cc2)no1 565503950 BTHRVLRBKDKRBX-MRXNPFEDSA-N 256.349 3.823 30 20 CHED Cc1cc(Cl)cc2c1O/C(=C\c1cncs1)C2=O 811698476 RNDIIMMHGUTVBN-WCIBSUBMSA-N 277.732 3.721 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc3c(c2)CCC3)no1 810321422 LPGFIMWUTQCHKS-UHFFFAOYSA-N 266.344 3.526 30 20 CHED C=C(CNC(=O)[C@@H]1CCC(C)=C(C)C1)c1ccccc1 648392979 LAUMUOLZNQMRAE-QGZVFWFLSA-N 269.388 3.953 30 20 CHED CC(C)[C@@H]1N(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1(C)C 480517869 ZAYATZRPCNSPSR-BBRMVZONSA-N 284.403 3.555 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1c1ccc(C#N)c(C)n1 488124743 KOAXQYHYPSLHSN-IUODEOHRSA-N 257.381 3.667 30 20 CHED CC(C)[C@H]1N(c2snc(Cl)c2C#N)CC1(C)C 814262174 MMBZERUSZFZQTJ-SECBINFHSA-N 269.801 3.539 30 20 CHED N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)s1 487280212 QGAOFSJJBCLJBC-MRXNPFEDSA-N 296.395 3.891 30 20 CHED CC(=NNc1cccc(F)c1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814814798 AKBKMOSJMAJMHT-RISCZKNCSA-N 292.354 3.751 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccc2ccccc2c1 814934312 RHXKVPKNFLBQRB-UHFFFAOYSA-N 275.298 3.667 30 20 CHED CCc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1CC 487634546 WDADOVRXMCPSTL-GFCCVEGCSA-N 273.380 3.577 30 20 CHED C=CCCCCOC(=O)c1sccc1OC(F)F 811011762 LOSVBSDVWARCEN-UHFFFAOYSA-N 276.304 3.863 30 20 CHED CC1(C)CCN(c2ccc3cc(C#N)ccc3n2)CCS1 571736751 WZNAMEDLXABKNL-UHFFFAOYSA-N 297.427 3.828 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1csc(C(=O)O)c1 814815045 KWFKXVCURHHIPK-JTQLQIEISA-N 288.372 3.521 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc2[nH]c(C)cc2c1 810091256 MKNOUJKVUINOAR-UHFFFAOYSA-N 288.350 3.639 30 20 CHED COc1cc(F)ccc1NN=C1CCc2cccnc2CC1 817327814 PWVDSUVPZTXYII-UHFFFAOYSA-N 299.349 3.576 30 20 CHED Cl/C=C/CON=C(CC1CCCCC1)c1ncccn1 811672359 XBHDQQLKWDCDSL-QUICMLQKSA-N 293.798 3.920 30 20 CHED CCOCCCNc1c(C#N)cnc2c(Cl)cccc12 570275939 RKLQWIUSOMSABN-UHFFFAOYSA-N 289.766 3.598 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1ccc(C#N)c(C)n1 487774971 YZDANTOZRNQMBG-SDNWHVSQSA-N 277.371 3.801 30 20 CHED C[C@H]1C[C@H](C(=O)NCCc2cccc(C#N)c2)CC(C)(C)C1 579862225 OOIZJBOTYUXHTP-YOEHRIQHSA-N 298.430 3.679 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1 485919050 QOMHMLILWCXGCY-UHFFFAOYSA-N 285.318 3.951 30 20 CHED C=C(C)COc1cc(C=NOC2CCC2)ccc1OC 812236973 CPCGNORFJSGZIS-UHFFFAOYSA-N 275.348 3.553 30 20 CHED CC1(C)CCC1=NNc1nnc(-c2ccccc2)s1 814946536 KHBCIGBUYATQIC-UHFFFAOYSA-N 272.377 3.793 30 20 CHED C=CCCCCCCCNC1CCN(C(=O)CC)CC1 810160833 VSEIIFINKRCELC-UHFFFAOYSA-N 280.456 3.504 30 20 CHED Cc1cc(F)ccc1NN=Cc1cccc(O)c1Cl 814884901 CZZNUYLBFPJECC-UHFFFAOYSA-N 278.714 3.939 30 20 CHED C#CCCNC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 827692999 VDYNNTIDTMYEPM-HNNXBMFYSA-N 277.795 3.609 30 20 CHED CC#CCCNCc1cc(-c2ccccc2)ccc1OC 499207760 FJBAIQITXDFNCB-UHFFFAOYSA-N 279.383 3.865 30 20 CHED C=C(CC)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 494493259 IMBLCVNHFGXOIH-HUUCEWRRSA-N 265.784 3.726 30 20 CHED C#Cc1cccc(N(CC)C(=O)CSc2ccccc2)c1 728481018 DCCBKZFXNWAVJX-UHFFFAOYSA-N 295.407 3.813 30 20 CHED CCCC[C@H](CC)CC(=O)N[C@@](C)(C#N)CCSC 573998615 GVHCQUVGRNSXFB-DZGCQCFKSA-N 284.469 3.744 30 20 CHED Cc1cccc(CN(Cc2ccco2)C(=O)C#CC(C)C)c1 821104296 YOZDFDINYBSEQI-UHFFFAOYSA-N 295.382 3.776 30 20 CHED C=CCCC(=O)OCC(=O)c1ccc([C@H](C)CC)cc1 726654866 HSFWITIHWDOAFV-CYBMUJFWSA-N 274.360 3.892 30 20 CHED C=CCn1cccc1C(=O)N1C[C@@H](C)Cc2ccccc21 490049266 YNHCYXVGDUWFRX-AWEZNQCLSA-N 280.371 3.513 30 20 CHED CCn1c(CNC2CCC(C)(C#N)CC2)nc2ccccc21 824159548 BPIFWVRJEWQUNJ-UHFFFAOYSA-N 296.418 3.618 30 20 CHED COc1cccc2c1CC/C(=C\c1ccc(C#N)s1)C2=O 588618096 FGBYCGJMCXKIQG-PKNBQFBNSA-N 295.363 3.841 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)C#Cc1cccs1)C1CC1 825722607 YBOFIBMOSWAGOM-STQMWFEESA-N 275.417 3.525 30 20 CHED COc1cccc(/C=N\C[C@@H]2CCc3ccccc32)c1O 731938872 WTJIZVBZLJMYOY-YQNUULROSA-N 281.355 3.550 30 20 CHED N#Cc1ncccc1NCCc1ccc(C(F)(F)F)cc1 589556287 YWLQDTLFXOIYKN-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=CCCCOC(=O)c1c(C)nc2ccccc2c1C 735528826 VCXJTAQABPQDGJ-UHFFFAOYSA-N 269.344 3.975 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccccc1O 735615385 NZBJZBDEGCXQPJ-UHFFFAOYSA-N 262.259 3.507 30 20 CHED CC(C)N(CCC#N)C(=O)CCCCc1ccccc1 900469788 MUMIUHKIKARESG-UHFFFAOYSA-N 272.392 3.550 30 20 CHED C=CCN(Cc1ccccc1F)Cc1ccnn1CC1CC1 667545264 ZQZSOSRNRFLXQU-UHFFFAOYSA-N 299.393 3.620 30 20 CHED Cc1cccc2c(N[C@@H]3CC[C@H](C#N)C3)nccc12 580307954 KSGJGJIJDIIGCX-QWHCGFSZSA-N 251.333 3.647 30 20 CHED CC[C@H](NCC1(CC)CCOCC1)c1cccc(C#N)c1 902830004 IQZFJTAULOFSHO-KRWDZBQOSA-N 286.419 3.806 30 20 CHED Fc1ccc(C=NNc2c(F)cccc2F)cc1 735616080 VZZJGMKMYMFTGH-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C=CCOC(=O)c1cccc(COc2cccc(F)c2)c1 734050858 XJUZBEZELRGPTO-UHFFFAOYSA-N 286.302 3.748 30 20 CHED CCCCOc1ccc(NC(=O)C#CC2CC2)c(C)c1 837359493 GZNIWEZZFOQOPM-UHFFFAOYSA-N 271.360 3.526 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1ncc(-c2ccccc2)o1 837430841 GMIUTMJLQBRTEM-ZDUSSCGKSA-N 296.370 3.568 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@H]1CCCCS1 839434802 HOGQPADAZLPQCF-MRXNPFEDSA-N 296.395 3.936 30 20 CHED CC1(C#N)CCC(=NNc2ncnc3sccc23)CC1 834932980 ACCWKDLJKLDBKF-UHFFFAOYSA-N 285.376 3.563 30 20 CHED N#CC1(CCCCOc2ccc(-c3nnco3)cc2)CCC1 901400534 QJNVYNOMRBPCRE-UHFFFAOYSA-N 297.358 3.980 30 20 CHED C#CCOc1ccccc1OCc1cccc2cccnc12 730566748 DSDQOWAIMBCMKZ-UHFFFAOYSA-N 289.334 3.826 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCC(C)=C(C)C1 580261168 WEHXKJYRYABERX-UHFFFAOYSA-N 288.439 3.599 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CC(C)C)c1ccccc1 736397582 BAYSGDHOQURRAG-AWEZNQCLSA-N 280.799 3.826 30 20 CHED COc1cccc(/C=N\[C@H]2CSc3ccccc32)c1O 735414773 LDDBMFMEIKDGSW-OLWAXZHHSA-N 285.368 3.667 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-c2cccs2)o1 581748424 YZCQAFYTZIKIQR-CYBMUJFWSA-N 288.372 3.676 30 20 CHED Fc1ccc(C#CCN2CCCc3sccc3C2)cc1 676558506 PKHAOXVWNPFUFK-UHFFFAOYSA-N 285.387 3.687 30 20 CHED CC(C)C#CC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 832547757 KNBVXCRBFHGLFS-KRWDZBQOSA-N 269.388 3.573 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@@](C)(C#N)C1 591777985 ZSMLUPFBTVCMQA-LPHOPBHVSA-N 298.430 3.716 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)/C=C\c1ccccc1C#N 837228532 JRWQSZBIJFHUIC-ASCRHOAZSA-N 270.376 3.512 30 20 CHED CC[C@@H](C)NN=Cc1cc2ccccc2cc1OC 834973885 SBHUXUDFZHNLJH-GFCCVEGCSA-N 256.349 3.570 30 20 CHED CSCC1(CC(=O)Nc2ccc(Cl)c(C#N)c2)CC1 593016858 YAXJYGQRDXNDRH-UHFFFAOYSA-N 294.807 3.683 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1ccc(C3CCC3)cc1)C2=O 834438599 WDJIPAXWRACSNS-LFIBNONCSA-N 292.382 3.900 30 20 CHED C=CCCSCCNC(=O)C1(CC(C)C)CCC1 597968318 SXOUMKZFINWPLF-UHFFFAOYSA-N 269.454 3.628 30 20 CHED C[C@H](CCc1cccc(F)c1)C(=O)Oc1ccc(C#N)cc1 744017515 GRFODCGBCRBIHN-CYBMUJFWSA-N 297.329 3.872 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1NC1CCCCC1 913949511 QCCZEUTXGXQOFM-LBPRGKRZSA-N 271.364 3.529 30 20 CHED C=CCCSCCNC(=O)Nc1cc(C)cc(F)c1 596799381 CUDZCINCHDGSLF-UHFFFAOYSA-N 282.384 3.565 30 20 CHED C=CCCOC(=O)c1ccccc1Oc1ccccn1 740999521 UBZQLFGMHUTPAQ-UHFFFAOYSA-N 269.300 3.607 30 20 CHED C#CCN(CC)C(=O)NCC1(c2ccccc2)CCCCC1 919904543 DPFICVYWLXGABL-UHFFFAOYSA-N 298.430 3.553 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H]1CCC(C)=C(C)C1 843856531 CKGOZSAGOZPOLH-OAHLLOKOSA-N 283.371 3.774 30 20 CHED CCCCCCCCCC(=O)N1CCC([C@@H](C)CO)CC1 846478778 DYUQZQUZTOMBCK-INIZCTEOSA-N 297.483 3.994 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)CCCCCC#N)C1 590889013 RXOAIZDHFWLOCP-AWEZNQCLSA-N 264.413 3.745 30 20 CHED C=C(CNC(=O)c1ccc(F)cc1C)c1ccccc1 672481524 UGPFQKHKLWKTCV-UHFFFAOYSA-N 269.319 3.577 30 20 CHED C#CCCCN(Cc1ccccn1)Cc1ccccc1C 844332062 BMXBOGYZPDABNH-UHFFFAOYSA-N 278.399 3.806 30 20 CHED N#CCCN(Cc1ccco1)CC1CCCCCC1 505740760 WUBFZRHCSVLQGW-UHFFFAOYSA-N 260.381 3.966 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(CN)cc1 843344122 RLQYYYLUKACCAG-HNNXBMFYSA-N 260.425 3.760 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1cnn(C(C)C)c1)C2=O 848643516 ZRRYJLGJWIJARO-FRKPEAEDSA-N 280.371 3.903 30 20 CHED Cc1cc(-c2ccc(CCN(C)C)cc2)ccc1CC#N 593950890 BOZXXINTJINMLK-UHFFFAOYSA-N 278.399 3.832 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H]2C2CCC2)c1 590859080 ZUFKCHSDBAYODX-INIZCTEOSA-N 283.375 3.663 30 20 CHED CC[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CCCC1 594039703 HZPDDOKRKYLHQT-KDOFPFPSSA-N 298.430 3.822 30 20 CHED CC(C)O[C@@H]1CCCN(c2c(Cl)cccc2C#N)C1 593487297 OESZWLNYEJZRJY-CYBMUJFWSA-N 278.783 3.605 30 20 CHED C#CCN(CC)[C@H](C)c1ccc(C(F)(F)F)cc1 746138619 CSJBJZVGRPBXQF-LLVKDONJSA-N 255.283 3.722 30 20 CHED CCCCCCC[C@@H](C)CNc1nccn2cnnc12 743459540 HQNOEOJQMGGHRV-CYBMUJFWSA-N 275.400 3.533 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(O[C@H]2CCOC2)cc1 849246850 LXVZOQVAXPIXNP-OUOZUETKSA-N 298.338 3.652 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)OCc1cccc(C#N)c1 920731609 RLJYDEQWCKADNY-CZUORRHYSA-N 271.360 3.818 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)COc2c(F)cccc21 921266668 QJMJODNFJMSOEN-UXBLZVDNSA-N 290.240 3.763 30 20 CHED C[C@H](C=NNc1ccc(C(=O)O)cc1)c1ccc(F)cc1 756873278 RRBQFWCXNDJABH-LLVKDONJSA-N 286.306 3.725 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1)c1cc(O)ccc1O 755599097 OXOIMVCZTAOUAM-DJWKRKHSSA-N 292.693 3.786 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C2(C)CCC2)n1 750741205 GTMRVWNFPHLVII-JTQLQIEISA-N 262.378 3.633 30 20 CHED Cc1ccc(C#N)nc1NCC[C@]1(C)CC1(Cl)Cl 853669389 PGIHFEGWADYIAY-GFCCVEGCSA-N 284.190 3.648 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ccn(C(F)F)n1 851145650 YJMJIPVUNXDACG-ZYHUDNBSSA-N 284.306 3.570 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CC=C(Cl)Cl 852192143 PEKPXANZZXVQTG-SNVBAGLBSA-N 269.175 3.870 30 20 CHED C=C(Br)COC(=O)C(C)(C)C1CCCC1 757842187 PYHDDIVOUGMOHB-UHFFFAOYSA-N 275.186 3.655 30 20 CHED C=C(CNC(=O)CC[C@@H]1CC1(Cl)Cl)c1ccccc1 854470807 LVEDAKAQXJPACV-CYBMUJFWSA-N 298.213 3.790 30 20 CHED CCCc1cc(=O)oc2cc(OCC3(CC#N)CC3)ccc12 853639822 RZDFUUXHUNBOMY-UHFFFAOYSA-N 297.354 3.818 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1cc([N+](=O)[O-])ccc1O 759088533 AZFUSJZUCZGXNW-MVTUOISNSA-N 295.294 3.753 30 20 CHED C[C@@](O)(c1ccc(OCC2(CC#N)CC2)cc1)C(F)(F)F 853676601 GKKSIBGEMQOVFW-CYBMUJFWSA-N 299.292 3.529 30 20 CHED Cc1cc(OC(=O)CC2(C#N)CCCCC2)ccc1F 850899806 WPBSHQUPNCSYSN-UHFFFAOYSA-N 275.323 3.904 30 20 CHED CC(C)C(=NNc1cncc(Br)c1)C1CC1 758130045 NWAIAIXFXMQKLH-UHFFFAOYSA-N 282.185 3.678 30 20 CHED CCOc1cccc(/C=N/[C@@H]2CCCC[C@H]2C)c1O 920943089 MYIWVKPUSHCISQ-JQWWKUHOSA-N 261.365 3.789 30 20 CHED C=C(C)[C@@H](NCc1oc(C)nc1C)c1ccc(F)c(F)c1 685573318 HVRGOQUMQBWCJB-MRXNPFEDSA-N 292.329 3.977 30 20 CHED C[C@@H](C=NNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 756871871 DKGWCPUYYOQKRM-NSHDSACASA-N 287.294 3.935 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C\c1ccc(Cl)nc1 851208095 OAAXKLQHZLYDMS-XOIDGJRKSA-N 292.766 3.620 30 20 CHED CCCn1nccc1/C=C\C(=O)c1cccc(C)c1C 853005913 MPWACUUAGFZDPT-HJWRWDBZSA-N 268.360 3.806 30 20 CHED COc1ccc(NN=C[C@@H]2CCOc3ccccc32)cc1 750921469 KBSZWGVFAHHOEG-ZDUSSCGKSA-N 282.343 3.659 30 20 CHED C#CC[C@H](NC(=O)Nc1cscc1C)c1ccccc1 757898645 HQEVANOPZJOXKV-AWEZNQCLSA-N 284.384 3.943 30 20 CHED Cc1n[nH]c(C)c1/C=C1/Cc2c(Cl)cccc2C1=O 921263391 CNIOGUIYCAVMKQ-POHAHGRESA-N 272.735 3.502 30 20 CHED C#CCCOC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 859080381 JAOHBCDVDYDAPK-GFCCVEGCSA-N 294.420 3.728 30 20 CHED CCCCCCCNCc1c(C)nn(CCC)c1C 759803974 QAOVUEPCRABQFR-UHFFFAOYSA-N 265.445 3.970 30 20 CHED N#CC1(CC(=O)Oc2cccc3c2OCCC3)CCCCC1 851101660 YSFNJPOROZPPMC-UHFFFAOYSA-N 299.370 3.781 30 20 CHED CC(=O)CC(C)(C)CC(=O)O[C@H](C)c1cccc(C#N)c1 755776779 IWDAVCIJVVUJTR-CYBMUJFWSA-N 287.359 3.558 30 20 CHED CC(C)c1cccc2c1OCCC2=NOCC(F)(F)F 753927868 GSGFKHHBTRETCJ-UHFFFAOYSA-N 287.281 3.876 30 20 CHED C[C@@]1(CNc2nc(C#N)c(Cl)s2)CC1(Cl)Cl 853663164 UOZGQOFZJQSMGD-QMMMGPOBSA-N 296.610 3.664 30 20 CHED CCc1csc(Sc2ncc(C#N)cc2Cl)n1 1458512319 BVDQWQJTDYNJMY-UHFFFAOYSA-N 281.793 3.777 30 20 CHED C=C(Cl)CN[C@H](C)c1cc2c(cc1O)CCCC2 756731748 BGSAEXJCFJBDQA-LLVKDONJSA-N 265.784 3.674 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccccc1Cc1ccccc1 753944883 NIYYTQQTUGTKSA-UHFFFAOYSA-N 292.382 3.811 30 20 CHED Cc1ccccc1[C@H](C)C(=O)NCC1CCC(C#N)CC1 935817701 CHTPXHOARSFJJI-FHERZECASA-N 284.403 3.545 30 20 CHED Cc1cccc(F)c1NN=Cc1ncccc1C(F)(F)F 769839243 BBWNDRQNXIOLHQ-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CC1(C)CCCC(=NNCCc2ccccc2F)C1 767792500 ODJHVKYOWDKETK-UHFFFAOYSA-N 262.372 3.914 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CCC[C@@H]3C)[nH]c12 769300771 UEJBKLXPNONLAG-IACUBPJLSA-N 295.386 3.874 30 20 CHED CCCC[C@H]1CCCC1=NNCCOCC(F)(F)F 765599053 HXKGORVGQUQJNG-NSHDSACASA-N 280.334 3.501 30 20 CHED COc1cc2ccccc2cc1C(=O)OCC1(C#N)CCC1 768086174 VSEVGTKVQOUOHQ-UHFFFAOYSA-N 295.338 3.699 30 20 CHED Cc1cc(CNCc2cccc(OC(C)C)c2)ccc1C#N 767680659 IEDVYQKSZNUXMF-UHFFFAOYSA-N 294.398 3.944 30 20 CHED C=C1CCN(C(=O)Nc2ccc3occc3c2)CC1 932031072 CIIJYQZQKISVJT-UHFFFAOYSA-N 256.305 3.617 30 20 CHED CCc1ccc(/C=C\C(=O)c2cc(C(=O)OC)co2)s1 766503647 XNTANKYVOFTSKW-SREVYHEPSA-N 290.340 3.586 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)c(C)c2)o1 766491923 QVIAZJONHDNHJD-ALCCZGGFSA-N 251.285 3.664 30 20 CHED Cc1ccc(NN=C2CCCc3scnc32)cc1F 863125214 PZRUFVLTUXTDPZ-UHFFFAOYSA-N 275.352 3.743 30 20 CHED CCc1cnccc1C(C)=NNc1c(F)cccc1F 765578163 UESICZXHIHWPAK-UHFFFAOYSA-N 275.302 3.758 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H](F)Cc1ccccc1 768842380 MTIAAQVAQCCEHZ-HNNXBMFYSA-N 291.366 3.830 30 20 CHED CCC[C@@H](CC)C(=O)Nc1nc2c(cc1C#N)CCCC2 875523653 FAFIRMIZWOMXQH-GFCCVEGCSA-N 285.391 3.597 30 20 CHED C#CCCc1noc(-c2sc3ccc(F)cc3c2C)n1 762006264 HRXQXQYQHMIVSC-UHFFFAOYSA-N 286.331 3.965 30 20 CHED C#CCOc1ccc(F)cc1NCc1nc(C)sc1C 1116356021 NMQPPUNBMTZYBZ-UHFFFAOYSA-N 290.363 3.523 30 20 CHED C#CCCCCCC(=O)Oc1ccccc1OCC 779720521 UJGGSRWYVYGISV-UHFFFAOYSA-N 260.333 3.574 30 20 CHED Cc1cc(COC(=O)CC(C2CC2)C2CC2)ccc1C#N 1116815942 IXWMLHWKMPNBCH-UHFFFAOYSA-N 283.371 3.736 30 20 CHED CCCCCCCCc1nc([C@@H]2CCCOC2)no1 771603913 XGXDAEGGIILGQY-CYBMUJFWSA-N 266.385 3.867 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(C#N)cc1F)C2=O 772808759 WVSHSMVOXPRASB-RIYZIHGNSA-N 277.298 3.828 30 20 CHED C#CCN(C(=O)CCCCCCC(C)=O)C1CCCCC1 771652833 HTACPMHXZUQVFW-UHFFFAOYSA-N 291.435 3.711 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 879496140 FUNQTNBRHQGTQX-CVEARBPZSA-N 287.403 3.625 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)c2ccc(F)cc2C)c1 1116270866 PRLKELUTJOUINX-TWGQIWQCSA-N 298.313 3.817 30 20 CHED Cc1ccc(C)c(OC(=O)c2cccc(F)c2C#N)c1 777408366 QAUZRNHSHIANPF-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C[C@H](C#N)CNN=C1CCCSc2ccc(Cl)cc21 771104517 TYWVGWNJCMBLFV-SNVBAGLBSA-N 293.823 3.679 30 20 CHED COc1ccccc1C1(N[C@H](C)CC(C)(C)C#N)CCC1 1119631651 AUHNKDWLUPNQPQ-CQSZACIVSA-N 286.419 3.992 30 20 CHED CC[C@H](CC#N)NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1116616225 ANLLCSOGLACHMM-MRXNPFEDSA-N 298.430 3.824 30 20 CHED C#CCCCCCC(=O)N(C)Cc1cc2ccccc2o1 779929315 IKQXMSZQSUVHON-UHFFFAOYSA-N 283.371 3.975 30 20 CHED C=C(C)CN(C)C(=S)Nc1cc(OC)ccc1Cl 777918859 OMMIBIMXRMVTGT-UHFFFAOYSA-N 284.812 3.553 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc2nc(O)[nH]c2c1 777914880 DKALZFUDPPICLM-DAXSKMNVSA-N 296.301 3.612 30 20 CHED C#CC[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 775397682 AEBANCWRUBRONE-INIZCTEOSA-N 298.317 3.588 30 20 CHED C=CC[C@H](N[C@H]1C[C@@H](OC)C1(CC)CC)c1ccncc1 776157073 NPFZBZXDMJPAQC-YESZJQIVSA-N 288.435 3.882 30 20 CHED CC(C)(C)CCC(=O)OCC#Cc1ccc(F)cc1 771360701 FPPQFTSWQWRUFD-UHFFFAOYSA-N 262.324 3.547 30 20 CHED COc1ccc(NN=C(C)c2ccc(Cl)cn2)cc1 774393878 JOMUTWKVEIONBF-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CCc1ccccc1NN=Cc1ccc([N+](=O)[O-])c(OC)c1 770595866 IJAGKPJOYOYRDK-UHFFFAOYSA-N 299.330 3.612 30 20 CHED C=CCC1(C(=O)N2CC[C@H](C(F)(F)F)C2)CCCCC1 888022619 CVFWHGFGYYYTEP-LBPRGKRZSA-N 289.341 3.924 30 20 CHED Cc1cc(C=NNC[C@@H](C)C#N)c(C)n1C1CCCCC1 771102004 CFBBQLQPVYOGFD-ZDUSSCGKSA-N 286.423 3.693 30 20 CHED CC1(CNC(=O)CC2(C#N)CCCCC2)CCCCC1 1129520779 WZFSCOOYNUQDCF-UHFFFAOYSA-N 276.424 3.937 30 20 CHED C#CC[C@H](N[C@@H](COC)Cc1ccccc1)c1ccccc1 773115141 LSCDBRSPRXHWQG-UXHICEINSA-N 293.410 3.598 30 20 CHED C#CCCCCCC(=O)Nc1ncc(C(C)(C)C)s1 779964375 PFLJLNAKOQUHMX-UHFFFAOYSA-N 278.421 3.963 30 20 CHED CC(C)(C)OC(=O)c1cccc(C=NNC2CCCC2)c1 777886437 WOUFDPNOIFAHNN-UHFFFAOYSA-N 288.391 3.508 30 20 CHED C=CC[C@@H](NC(=O)N1CC[C@H]1C(C)(C)C)c1ccncc1 1123505057 NKGGZJZCGYHWKD-CABCVRRESA-N 287.407 3.529 30 20 CHED O=C(/C=C\c1cc(F)cc(Cl)c1)c1ccc(O)cc1O 776720855 UOQDJYIFPKUYGO-RJRFIUFISA-N 292.693 3.786 30 20 CHED COC[C@H](C)NN=C1CCC[C@@H](C(C)(C)C)CC1 777893434 QPARYMVQYYEXSX-QWHCGFSZSA-N 254.418 3.593 30 20 CHED CCSc1ccccc1CC(=O)O[C@@H](CC)CC#N 1122988438 BUUHAXBYIVAKRH-ZDUSSCGKSA-N 277.389 3.577 30 20 CHED Cc1ccc(F)c(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1N 783300939 DTCVMGYWOTXSTF-LLVKDONJSA-N 298.317 3.506 30 20 CHED C=CCCCCCOC(=O)C[C@@H]1CSCCS1 784346058 DLUJVNCNBLVTIL-GFCCVEGCSA-N 274.451 3.515 30 20 CHED CCCCCCCCCN(C)C(=O)Cc1cncs1 782340381 WYGRTSVEOUVCQX-UHFFFAOYSA-N 282.453 3.895 30 20 CHED N#Cc1ccc(Cn2c(=O)ccc3ccc(Cl)cc32)cc1 786894032 LOADBIKYMZSMBK-UHFFFAOYSA-N 294.741 3.575 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C3=CCCCC3)[nH]c12 783093939 DANAOTKBPMJGHZ-CYBMUJFWSA-N 279.343 3.548 30 20 CHED Cc1cccnc1NN=C1CCOC2(CCCCC2)C1 884454333 LFYHNHHQZFHMPF-UHFFFAOYSA-N 273.380 3.671 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(C(=O)O)cc1Cl 783708702 DHJXGUGFOXHEIT-SNAWJCMRSA-N 290.702 3.836 30 20 CHED CC(/C=C\C(=O)c1ccncc1)=C\c1cccc([N+](=O)[O-])c1 787168914 ZRFVEHDGKCSZEL-SAJBRBQFSA-N 294.310 3.832 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1ccsc1 899352565 LBHJNJFDSLCQIA-PLNGDYQASA-N 258.346 3.566 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(SC)cc2)c(C)n1 899343019 MIPJFPRVRFEOAD-YFHOEESVSA-N 286.400 3.829 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cccc(Cl)c1Cl 788037489 WANSWJDWOAXCQA-JTQLQIEISA-N 288.174 3.771 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccnc(-c2ccccc2)n1 786637136 ITSLISUOQKGXRF-KRWDZBQOSA-N 281.359 3.684 30 20 CHED C=C1CC(C)(c2noc(-c3oc(CCC)nc3C)n2)C1 896920819 SPNLYVFOLXXFFA-UHFFFAOYSA-N 273.336 3.593 30 20 CHED Cc1ccc2nc(C=NNc3ccc(F)cc3C)cn2c1 789035047 WOYILRLPVNDZHH-UHFFFAOYSA-N 282.322 3.536 30 20 CHED C=CCCCCCOC(=O)C[C@@H](C)n1nc(C)cc1C 783011995 CJKSNBGVUGKAJS-OAHLLOKOSA-N 278.396 3.741 30 20 CHED CC(=NNc1ccccn1)c1cc(Br)cs1 782143739 QZBCAOURAXBTSV-UHFFFAOYSA-N 296.193 3.742 30 20 CHED C=C1CCC(C(=O)Nc2n[nH]c(-c3ccc(C)o3)c2C)CC1 897082647 PEMIKBWPBVCRMX-UHFFFAOYSA-N 299.374 3.971 30 20 CHED C/C(=C\Cl)CS[C@H](C)C(=O)Nc1ccccc1C#N 797815444 SLFYFRSNLGFDOX-PFEDMVJOSA-N 294.807 3.761 30 20 CHED CCCCCCCCN[C@@H]1CCCc2nn(C)cc21 794808362 AIULKFXZIIBXPO-OAHLLOKOSA-N 263.429 3.748 30 20 CHED C=C1CC(c2noc([C@@H]3CCN(c4ccccc4F)C3)n2)C1 896878227 XZYKZUFTVCLHMU-GFCCVEGCSA-N 299.349 3.636 30 20 CHED C#CC[C@H](OC(=O)c1c[nH]c(C(F)(F)F)c1)C(C)(C)C 797075171 COYTYOZAUWTDJK-NSHDSACASA-N 287.281 3.628 30 20 CHED Cc1nc(-c2ccc(C(=O)O[C@@H](C#N)C3CC3)cc2)cs1 799614900 VGXKGUOAAFIOGV-HNNXBMFYSA-N 298.367 3.578 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)C1 799725676 JKKCABIERXSYER-KKBFJZEXSA-N 281.403 3.779 30 20 CHED C#CCN(C(=O)Cc1coc2ccccc12)C1CCCCC1 795784353 QKRDUPYLCKTMRU-UHFFFAOYSA-N 295.382 3.770 30 20 CHED CC(=NNc1ncccc1F)c1ccc(C)cc1C 794990005 IOCILOAKZJNSQY-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNc1ccc(OC)cn1 797403703 WIVOEFGSRXMRGE-NEPJUHHUSA-N 261.369 3.704 30 20 CHED O=C(O)c1ccccc1NN=CCc1cccc(Cl)c1 794887893 KTXIIEUSHUSGOO-UHFFFAOYSA-N 288.734 3.679 30 20 CHED CCCC(Cc1ccccc1)=NNc1nc2ccccn2n1 790197911 TWIRCLUGMFLRRU-UHFFFAOYSA-N 293.374 3.540 30 20 CHED CCCCCCCCN[C@]1(CO)CCOc2ccccc21 799338169 XOJJEVZKNLLVAM-SFHVURJKSA-N 291.435 3.607 30 20 CHED CSC[C@@H](C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797571064 NDDOCZLHIMVWDT-ZJUUUORDSA-N 296.461 3.616 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C/Sc1ccccc1 798551777 WAAWRAYVNYYWRB-XZHRJIJLSA-N 261.390 3.763 30 20 CHED Cc1ccccc1OC(=O)C[C@H](CC#N)c1ccccc1 796506164 KVFCAHYRGZJISY-INIZCTEOSA-N 279.339 3.988 30 20 CHED CC(C)CN(C[C@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1 1307551810 MLUIMHQLMQDHNE-RHSMWYFYSA-N 272.392 3.588 30 20 CHED C[C@@H]1[C@@H](CNc2c(C#N)cccc2C#N)CCC[C@H]1C 1163184808 JITCDQAVWBWHOE-DVOMOZLQSA-N 267.376 3.914 30 20 CHED COc1ccc(C(C)=O)c(OCCCC(C)(C)C#N)c1 135175861 QKOVRWXDMZRKQL-UHFFFAOYSA-N 275.348 3.607 30 20 CHED N#Cc1cncc(Nc2ccc(Nc3ccccc3)cc2)n1 1161994176 SATJNMCJKCVENM-UHFFFAOYSA-N 287.326 3.835 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2cccnc2)c1 80038236 MSKOGKXGRHHOCF-CMDGGOBGSA-N 267.328 3.767 30 20 CHED N#CCCN(Cc1ccc(F)cc1Cl)CC1CC1 81044811 FXKGIRQXJSTCMH-UHFFFAOYSA-N 266.747 3.605 30 20 CHED C=CCCC(=O)COC(=O)[C@H](C)CC1CCCCC1 1319804005 VJNFAVXJQPEZHM-CYBMUJFWSA-N 266.381 3.671 30 20 CHED N#C[C@H]1CCC[C@H](NCc2csc(Br)c2)C1 274213824 ODOZEFAREVMLRI-ONGXEEELSA-N 299.237 3.683 30 20 CHED O=C(CC#Cc1ccccc1)OC/C=C/c1ccccc1 1319674328 RIEXTARKBKUXPK-RIYZIHGNSA-N 276.335 3.685 30 20 CHED C=CCCCCCN(C)C(=O)c1c[nH]c(Br)c1 1318706940 SDEOVJAYLKEONH-UHFFFAOYSA-N 299.212 3.596 30 20 CHED C=CCC[C@@H](NCc1ccc(Br)o1)C1CC1 188737165 FUPHDALLFBQYAP-GFCCVEGCSA-N 284.197 3.877 30 20 CHED C=CCC(CC=C)c1nnc(-c2cccc(C)n2)o1 1322474869 MPRPYWLMHRPNJJ-UHFFFAOYSA-N 255.321 3.676 30 20 CHED N#CCOc1ccc(N[C@@H](C2CCCC2)C2CC2)cc1 1325317056 XJFUKVPIPWEQFC-KRWDZBQOSA-N 270.376 3.970 30 20 CHED CC[C@@H]1CCC[C@H](C)N1Cc1ccc(CC#N)cc1 1174780339 OYYUKKGQEZCJKG-WMLDXEAASA-N 256.393 3.906 30 20 CHED C#CCCCCc1nnc([C@@H](CC)c2ccccc2)o1 1322362847 DHCZJUVPFKHXSS-HNNXBMFYSA-N 268.360 3.958 30 20 CHED Cc1cccc2c1OCC[C@@H]2OC(=O)c1csc(C#N)c1 1324774331 NNYMZPUZIMKCOT-AWEZNQCLSA-N 299.351 3.609 30 20 CHED C[C@H]1C[C@H](CCN=c2cc[nH]cc2C#N)CC(C)(C)C1 1186315811 KEDSJFBDDBGAOF-KBPBESRZSA-N 271.408 3.640 30 20 CHED N#Cc1ccnc(/C=C/c2cc(F)cc(Cl)c2)c1 1322819894 MNKYPXKCNSLWIU-OWOJBTEDSA-N 258.683 3.916 30 20 CHED CCCCCCCN1CC[C@@H](CN(CC)CC)C1 744418863 GHIVQDFFKOZWBQ-INIZCTEOSA-N 254.462 3.621 30 20 CHED C=CCCCC(=O)O[C@@H]1c2ccccc2OC[C@@H]1C 1320828323 HOXWSWKRJIVIFI-LRDDRELGSA-N 260.333 3.656 30 20 CHED C=CCC(F)(F)c1nnc(Cc2ccccc2C)o1 1258368291 UUGTXNLWSSWIIE-UHFFFAOYSA-N 264.275 3.637 30 20 CHED C=CCC1(NCc2cnc3ccccc3n2)CCCC1 661851558 WXMZBKCYFGUSKX-UHFFFAOYSA-N 267.376 3.608 30 20 CHED CC(C)c1nccn1Cc1ccc(C#N)cc1Cl 162944646 RMUPROLLRAFDLP-UHFFFAOYSA-N 259.740 3.580 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@H](C(C)(C)C)CC1 136258584 DCNQYASUTIYUOK-XJKSGUPXSA-N 264.413 3.601 30 20 CHED CN(C)c1cccc(Cl)c1C=NNc1ccccc1F 1336290133 UICNPSANIIEZPN-UHFFFAOYSA-N 291.757 3.991 30 20 CHED CCCCN(CC1(C#N)CC1)C1CC(C)(C)NC(C)(C)C1 1334349648 XYNBSPQLDLGTEH-UHFFFAOYSA-N 291.483 3.701 30 20 CHED C#Cc1ccc(N[C@@H](C)c2cccc(N3CCCC3)c2)nc1 1348031699 QZSQWKFHNLPRDV-HNNXBMFYSA-N 291.398 3.836 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)c1csc(C#N)c1 1344379201 RGFQDUSGWKLWIW-HNNXBMFYSA-N 276.405 3.661 30 20 CHED Cn1c(Cl)cnc1[C@@H](C#N)C(=O)CCCC1CCCC1 1346096149 NCRKNUAPEACADK-LBPRGKRZSA-N 293.798 3.610 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CC[C@H](CC(C)C)C1 1343523410 MWYYVGVOXLMOGF-GFCCVEGCSA-N 298.381 3.664 30 20 CHED N#Cc1cc(C(=O)OC2(Cc3ccccc3)CC2)cs1 1342619642 KRQLAPQIJZYFCP-UHFFFAOYSA-N 283.352 3.552 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(OC)ccc1Cl 1521457781 BDFVKZZWOIYDMS-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCCc3cc(C#N)ccc32)C[C@H]1C 1460302418 KTNCKPZSHDKWCX-CPUCHLNUSA-N 296.414 3.910 30 20 CHED N#CCCC[C@H](NCc1cc(C(=O)O)co1)c1ccccc1 1601065955 AUVURYWZJCGNAD-INIZCTEOSA-N 298.342 3.503 30 20 CHED COc1ccc([C@H](C)Sc2nc(C)cc(C#N)n2)cc1 1472672000 FOVXUYJNRJKDQJ-NSHDSACASA-N 285.372 3.519 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)CCCc1ccccc1 1538757333 KOHJXPDGKYQWCO-RDJZCZTQSA-N 286.419 3.796 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@H](c3ccccc3)C2)C1 1474591357 GYRIQROZXRJIPT-QMCVQRASSA-N 254.377 3.605 30 20 CHED Cc1cc(NC[C@@H](C)COCc2ccccc2)ncc1C#N 1472676801 VMZYNJKMWCMBAT-CQSZACIVSA-N 295.386 3.527 30 20 CHED C[C@@H](Sc1ccc(Cl)cc1C#N)c1ncccn1 1613586854 BNZAWEFVZQMETM-SECBINFHSA-N 275.764 3.855 30 20 CHED O=C(/C=C/c1ccoc1C(=O)O)c1ccc(Cl)cc1 1610651264 NYFRGIBHHWDRGU-ZZXKWVIFSA-N 276.675 3.527 30 20 CHED Cc1cc(N2CC[C@@H](C(C)(C)C)C[C@H]2C)ncc1C#N 1559203416 RWYHRMHXSLHACA-UKRRQHHQSA-N 271.408 3.913 30 20 CHED N#Cc1ccc(CSc2ccc3c(c2)CCO3)s1 1643998811 WOMAIBWPVUUZSC-UHFFFAOYSA-N 273.382 3.847 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccc(-c2ccon2)cc1 1652262003 WDZVKFDTAIUCSI-UHFFFAOYSA-N 286.294 3.829 30 20 CHED C=CC[C@@H](SCc1cc(C)cc(C)c1)C(=O)O 1588759692 ZBEGUXFZYOHHDC-CYBMUJFWSA-N 250.363 3.566 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2cc(C)c(C#N)cn2)cc1 1655185364 CYIVNXAXIUOOJP-UHFFFAOYSA-N 293.414 3.984 30 20 CHED Cc1nc(N[C@H]2CCC(C)(C)C[C@@H]2C)ccc1C#N 1655220017 UPCFHIBUTUGTNL-FZMZJTMJSA-N 257.381 3.888 30 20 CHED C=C(Cl)CNC(=O)c1ccc(C(C)(C)CC)cc1 1586507503 XVRHENMSDHNZGT-UHFFFAOYSA-N 265.784 3.857 30 20 CHED CCC1(CC)CN([C@H](C#N)c2ccccc2)CCS1 1653204430 QDTZASPJQNHSRH-OAHLLOKOSA-N 274.433 3.859 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1Nc1ncc(C#N)cc1Cl 1651217422 PNLVWEKFSFDFLE-CMPLNLGQSA-N 263.772 3.843 30 20 CHED C=CCCC[C@H](NCc1ccc(C(F)F)cc1)C(=O)O 1776171115 QAJAWPXWAMXXBK-ZDUSSCGKSA-N 283.318 3.523 30 20 CHED C[C@H](CC(=O)O)c1ccc(NCc2cccc(C#N)c2)cc1 1776403513 FRVASXRADRAKLG-CYBMUJFWSA-N 294.354 3.749 30 20 CHED CCC(=NNc1ccccc1C(=O)O)c1cccc(F)c1 1776030449 BCFFQHZCVPDZNB-UHFFFAOYSA-N 286.306 3.750 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)C1C(C)(C)C1(C)C 1776074600 JQSGMJVHCYSESB-UHFFFAOYSA-N 292.354 3.994 30 20 CHED CC[C@H]1CCN(c2c(Br)cccc2C#N)C1 1642405426 WNYUVUIETVUUKI-JTQLQIEISA-N 279.181 3.557 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2cccc(F)c2)CC1 150813633 ZUKNZFNUGFTIIJ-UHFFFAOYSA-N 273.351 3.699 30 20 CHED N#CCOc1cccc(NCc2coc3ccccc23)c1 161080408 YTGIIIDBHDZPRW-UHFFFAOYSA-N 278.311 3.947 30 20 CHED C=C(C)COCCNC(c1ccccc1)c1ccccc1 166164243 URDYXYJMBZFYEH-UHFFFAOYSA-N 281.399 3.958 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(C(C)(C)C)cc1 155426156 OFJVPZFWYSQNFA-ZDUSSCGKSA-N 273.380 3.798 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2[C@@H]3[C@@H]4CC[C@H](C4)[C@@H]23)cc1 155925377 PRAZZOQNFNMFGZ-CZPYZCIJSA-N 294.398 3.718 30 20 CHED C=CCN(C)C(=O)Nc1ccc2ccn(CCC)c2c1 157460373 TZGLOEWSCGJFAA-UHFFFAOYSA-N 271.364 3.701 30 20 CHED C=C(Cl)COC(=O)Cc1cccc(C(F)(F)F)c1 916609937 GTPGEKCQJHUJPG-UHFFFAOYSA-N 278.657 3.544 30 20 CHED C#Cc1cccc(CNCc2ccc([C@H]3C[C@H]3C)o2)c1 825227288 RUOJJPQQRBEWIG-DYVFJYSZSA-N 265.356 3.674 30 20 CHED C=CCN(c1ccc(C(F)(F)F)cc1C#N)C1CC1 165350327 NXDFKBMIROIJOJ-UHFFFAOYSA-N 266.266 3.732 30 20 CHED C=C(Cl)CN[C@H](CC)c1cccc(Cl)c1O 310019857 MPSHSOSQIMPJOX-LLVKDONJSA-N 260.164 3.839 30 20 CHED C=C(CC)CNCc1cc(Cl)cc(Cl)c1O 313496118 ZJJWQNCCKDVUQY-UHFFFAOYSA-N 260.164 3.755 30 20 CHED Cc1cc(CNc2cccc(CC#N)c2)ccc1F 313451813 SESBAPXEIOTKGI-UHFFFAOYSA-N 254.308 3.812 30 20 CHED CC(C)(C)OCCCNc1ccc(C#N)c(Cl)c1 610681343 YYHRAJZOIPLDOS-UHFFFAOYSA-N 266.772 3.829 30 20 CHED C=CCC(C)(C)CNc1ccc(OC(F)F)cn1 327615681 LKFUGFUYYADAMJ-UHFFFAOYSA-N 256.296 3.697 30 20 CHED CC[C@H](CC#N)/N=C(/O)c1cscc1Br 330595156 BLAVSAVABWTYIT-SSDOTTSWSA-N 287.182 3.507 30 20 CHED C=CCC(C)(C)CN[C@H]1C[C@H](OCC)C12CCC2 336796207 QLODEILKZBVHKE-KBPBESRZSA-N 251.414 3.526 30 20 CHED CC(C)(C)N(Cc1ccccc1)CC1(C#N)CCC1 450494713 OHGCKBFGSPNPQU-UHFFFAOYSA-N 256.393 3.981 30 20 CHED C=CC[C@H](CC)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 343511453 UDYKGTNFQLTJCD-ZFWWWQNUSA-N 262.353 3.990 30 20 CHED Cn1cc(CNc2cccc3ccsc23)cc1C#N 359686465 MSIJOZIKTOJVPL-UHFFFAOYSA-N 267.357 3.724 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1ccc(C#N)c(F)c1 361689521 MVAIMOUQSHMPHK-NSHDSACASA-N 286.375 3.878 30 20 CHED CO[C@@H](COc1cc(Cl)ccc1C#N)c1ccccc1 380853893 COOZZOSJSPNMJQ-INIZCTEOSA-N 287.746 3.978 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc2c(c1)OCCCO2 393773240 CERDMWVOUUADMZ-HIFRSBDPSA-N 275.392 3.853 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NCc1ccc(CC#N)cc1 398962478 OAMLDMJIXXGSAK-RHSMWYFYSA-N 256.393 3.811 30 20 CHED CC(C)Oc1ccc(C(=O)OCc2ccccc2C#N)cc1 7005714 ZXNZZGIBEGRPNC-UHFFFAOYSA-N 295.338 3.702 30 20 CHED C[C@@H]1CCC[C@H](Nc2c(F)cc(C#N)cc2F)C1 111143082 QLIJIXIWXJSHTR-KOLCDFICSA-N 250.292 3.827 30 20 CHED C=C(C)CN(CC)Cc1cc(Cl)nc(Cl)c1 114712527 NFNMZDLYCHBSTH-UHFFFAOYSA-N 259.180 3.786 30 20 CHED C=CCOc1cccc(NC(=O)Nc2cccc(C#N)c2)c1 56516927 QDHXWCFVXAJPTB-UHFFFAOYSA-N 293.326 3.767 30 20 CHED N#Cc1cc(F)ccc1CSc1ccc([N+](=O)[O-])cc1 103167337 KPYIESKTGFUVQU-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccccc1C(C)(C)C 119893031 OXSGKNBYJJRHFW-GFCCVEGCSA-N 273.380 3.750 30 20 CHED CC(C)c1ccc(CCNC(=O)C2(C#N)CCCCC2)cc1 57383558 HYCKBHLQWSWKGJ-UHFFFAOYSA-N 298.430 3.943 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CCc1ccco1 58453469 MAUWXKWHZJPZKD-CYBMUJFWSA-N 297.358 3.603 30 20 CHED C#CCOc1ccccc1CN[C@@H](CC)c1ccccc1 50198471 VODMSQNUKOXGFD-SFHVURJKSA-N 279.383 3.940 30 20 CHED Cc1ccsc1CNc1c(F)cc(C#N)cc1F 111143018 MEILBUDMNLVHSV-UHFFFAOYSA-N 264.300 3.819 30 20 CHED CCCO[C@H]1CCCN(c2ccc(Cl)cc2C#N)CC1 301212021 VCKOKIKHINBLRS-HNNXBMFYSA-N 292.810 3.997 30 20 CHED Cc1c(C(=O)Nc2ccc(C#N)cn2)oc2c(C)cccc12 110285471 BCIZDYYWWPYKEA-UHFFFAOYSA-N 291.310 3.569 30 20 CHED Cc1cc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c(C)n1C(C)C 178783139 NGTUBDTYUBCOKA-UONOGXRCSA-N 274.364 3.535 30 20 CHED Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(C)c1 116814306 QGTUCSUYIJAJKW-CXAGYDPISA-N 270.376 3.506 30 20 CHED C=C[C@H](CC(=O)NCCOCCC(C)C)c1ccccc1 119315649 UOUXFXHAQOCIFZ-MRXNPFEDSA-N 289.419 3.525 30 20 CHED CC(C)(C#N)CCCN1CC=C(c2ccc(O)cc2)CC1 174813275 YXLKFJHBQSHFOC-UHFFFAOYSA-N 284.403 3.811 30 20 CHED C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccccc1)C(C)C 69353521 KGCYXVJMRCFCCH-NVXWUHKLSA-N 289.419 3.524 30 20 CHED CC[C@@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 178992696 WYWJXIYKIIRMMR-GFCCVEGCSA-N 289.379 3.608 30 20 CHED Cc1nc(CSc2nc3c(c(C)c2C#N)CCC3)oc1C 63533960 CBQUEBJPUHFYJS-UHFFFAOYSA-N 299.399 3.648 30 20 CHED Cc1ccc(Oc2ccnc(C#N)c2)c(Br)c1 61811536 NUJAYPVXWMHOLM-UHFFFAOYSA-N 289.132 3.817 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C/c1cccc(OC)c1O 175900610 GTCLGIUPVMFLRI-DRMGDSRLSA-N 293.432 3.884 30 20 CHED N#Cc1c(F)cccc1OCc1ncc(Cl)cc1Cl 179694694 FZCGVNKNANVTAS-UHFFFAOYSA-N 297.116 3.978 30 20 CHED CCOc1ccccc1CNc1cc(C(C)=O)ccc1C#N 302109747 OZWIBLMOJOQJPQ-UHFFFAOYSA-N 294.354 3.772 30 20 CHED Cc1ccc(-c2nc(CNCCCCC#N)cs2)cc1 172118702 ZOIXNJLGUCARDE-UHFFFAOYSA-N 285.416 3.902 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cscc1C 176503217 XEGWCNCNGSOJFO-UHFFFAOYSA-N 278.421 3.849 30 20 CHED N/C(=N/CCc1ccccc1)Nc1cccc2c1CCCC2 304690637 RIXMLNVFPHZBTP-UHFFFAOYSA-N 293.414 3.535 30 20 CHED Cc1cc2cc(Nc3ccc([N+](=O)[O-])cc3C#N)ccc2[nH]1 31653521 OBNJPIVCBZKQJR-UHFFFAOYSA-N 292.298 4.000 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1cccc(F)c1C#N 301373295 UNVKOEWGUQNFTD-JMSVASOKSA-N 258.340 3.855 30 20 CHED C#CCCCCC(=O)N[C@H](C)C(C)(C)c1ccccc1 120090386 RFSDGFJDZXMSDM-OAHLLOKOSA-N 271.404 3.663 30 20 CHED CN(Cc1ccc2ccccc2c1)C[C@@H](C#N)CCC#N 32514700 HSMLEQXREHMCPE-MRXNPFEDSA-N 277.371 3.715 30 20 CHED CC(C)c1cc(CNC2CC(C#N)(c3ccccc3)C2)on1 126914349 XVODBEOYKLCILE-UHFFFAOYSA-N 295.386 3.512 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(Cl)ccc1F 79813970 REKLIGCUXLBDPZ-UHFFFAOYSA-N 270.735 3.909 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1SCCc2ccccc21 73850349 GWXSOEZBSJEDGW-INIZCTEOSA-N 294.379 3.527 30 20 CHED C=CCSCCN[C@H](C)c1ccc(CC)s1 129365167 BJTTWRJCMDMKID-LLVKDONJSA-N 255.452 3.880 30 20 CHED Cc1cccnc1[C@@H](N[C@@H]1CCC[C@H](C#N)C1)C(C)C 185834478 MSSQUBSLDOCEBQ-XHSDSOJGSA-N 271.408 3.759 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(C)(C)c1ccc(OC)cc1 182580840 AOZNVTADANTJNN-CQSZACIVSA-N 289.419 3.834 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1 185901392 LXSYMGSCFHCDBE-DZOHQFGASA-N 284.403 3.579 30 20 CHED C[C@H]1CCC[C@@H](CN(CCC#N)Cc2ccco2)C1 356987371 PYQIOISVSGBWEU-LSDHHAIUSA-N 260.381 3.822 30 20 CHED CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 503907734 IOWPJTMUUWYBFP-WQVCFCJDSA-N 260.356 3.805 30 20 CHED C#CCCCNC(=O)N(CC)C[C@H](CC)c1ccccc1 184336981 QLOUSQSVYGGJER-INIZCTEOSA-N 286.419 3.625 30 20 CHED CC(C)N(C(=O)c1cccc(C#N)c1)c1ccccc1 79650974 QDEVPFZFQANWTQ-UHFFFAOYSA-N 264.328 3.613 30 20 CHED N/C(=N/CCCF)Nc1cccc(Oc2ccccc2)c1 128900879 HRZDASAUOWSJDL-UHFFFAOYSA-N 287.338 3.565 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 74629156 JVOQFWPJXNXHLR-LSDHHAIUSA-N 264.413 3.563 30 20 CHED COc1ccccc1[C@@H](C)CC(=O)Oc1ccc(C#N)cc1 75460157 PVEMJUSDXLLBTO-ZDUSSCGKSA-N 295.338 3.666 30 20 CHED CCn1c([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)nc2ccccc21 185885589 AQMIXOJHYDINMX-SOUVJXGZSA-N 296.418 3.789 30 20 CHED C=C[C@@H](C)N[C@@H](CC)CSc1ccccc1[N+](=O)[O-] 504912572 XUOXWKKMSHSJDX-NEPJUHHUSA-N 280.393 3.630 30 20 CHED CCN(Cc1occc1C)C(=O)Nc1ccc(C#N)cc1 414404984 BUPGCCILGKKBGN-UHFFFAOYSA-N 283.331 3.514 30 20 CHED CCc1c(C)sc(NC(=O)COC(C)(C)CC)c1C#N 410433898 MJIWLHCKQARKQC-UHFFFAOYSA-N 294.420 3.634 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](CC)CSC 181089810 LQGDELZVULNGGA-STQMWFEESA-N 272.458 3.514 30 20 CHED N#C[C@H](NC(=O)CCCC1CCCC1)C1CCCCC1 506508286 AMGXOXFYYKQMPD-INIZCTEOSA-N 276.424 3.936 30 20 CHED CC#CCCCC(=O)Nc1cc(F)ccc1Cl 185454761 CIFJKGUKZBYCRW-UHFFFAOYSA-N 253.704 3.611 30 20 CHED COc1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1 210509375 VOKHWXOGLWFVJX-KTKRTIGZSA-N 274.266 3.870 30 20 CHED CC[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)CC(F)(F)F 414274136 ZBJCLTRWOGQULI-QJPTWQEYSA-N 262.319 3.637 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)Cc1ccccc1SC 184086038 PLKLZFJKENXKFS-JSGCOSHPSA-N 262.422 3.621 30 20 CHED CC(C)(C#N)CCCSCCOCC(F)(F)F 184667497 IOQNFWFHUNCNES-UHFFFAOYSA-N 269.332 3.628 30 20 CHED C[C@H](NCc1ccc(F)c(C#N)c1)c1cccs1 182557653 UNYCQSQUZWKYPT-JTQLQIEISA-N 260.337 3.610 30 20 CHED CCC[C@H](NCc1ccc(OCC#N)cc1)c1cccnc1 185986072 UQAJLHFVJQJCHU-SFHVURJKSA-N 295.386 3.615 30 20 CHED Cc1cc(C(C)(C)C)ccc1OC(=O)C(C)(C)C#N 79763592 ICUJSUBRVNGCPA-UHFFFAOYSA-N 259.349 3.748 30 20 CHED COC[C@H](C#N)Nc1cc(Cl)ccc1OC1CCCC1 186540104 LYHQTCITFGYCLV-LBPRGKRZSA-N 294.782 3.612 30 20 CHED COc1ccc(F)cc1N[C@H](C)c1ccc(C#N)cc1 131694155 FHEPRLCHQIUPRZ-LLVKDONJSA-N 270.307 3.879 30 20 CHED C=C(C)COCCNC(=O)c1ccc(-c2ccccc2)cc1 136216728 QXVRTOPHYJLSFY-UHFFFAOYSA-N 295.382 3.676 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)nc1C 414166968 OMYBXFVLNFIXEA-CYBMUJFWSA-N 283.350 3.560 30 20 CHED C=CCC[C@@H](C)N[C@@H](CN)c1ccc2ccccc2c1 414935264 FPQBUSGZSXGKML-KDOFPFPSSA-N 268.404 3.784 30 20 CHED C=CCCCSc1nc2c(cc1C#N)CCCC2 609782296 NLZJJXUKTBWHDR-UHFFFAOYSA-N 258.390 3.890 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1c(OC)cccc1SC 417677613 HTEPDNJRPZJAEP-NSHDSACASA-N 294.420 3.893 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(C)c1Br 136282994 PCSLAQUCHSGYKR-CYBMUJFWSA-N 295.180 3.636 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 195252125 NMDQNIAGWAAIFS-OALUTQOASA-N 292.382 3.568 30 20 CHED N#CCc1cccc(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 49623021 DIEPVUCNDXRODO-SFHVURJKSA-N 290.366 3.634 30 20 CHED COc1ccc(/C=C/c2nc3ccccc3o2)cc1C#N 132502921 USVJYXCOJIRZLR-VQHVLOKHSA-N 276.295 3.878 30 20 CHED C=CCCNC(C)(C)c1ccccc1Br 380116215 PMIIQXZLBPFDNM-UHFFFAOYSA-N 268.198 3.850 30 20 CHED C=CCn1c(SCC(=C)Cl)nnc1-c1ccoc1C 47822260 FHAQDPXVVOTWMK-UHFFFAOYSA-N 295.795 3.877 30 20 CHED C=CCC1(C(=O)Nc2ccc3cnn(CC)c3c2)CCC1 190497675 GGYPQKKIDPIRNX-UHFFFAOYSA-N 283.375 3.741 30 20 CHED COCc1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1 132624701 LWWCMODGCPMRRF-NTEUORMPSA-N 298.313 3.631 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2cc3ccccc3s2)C1 612233265 OAWQFIDFKJIGJA-MRXNPFEDSA-N 284.384 3.667 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)C2CC2)cc1F 190402054 HBLUWPBVYCAUKW-GOSISDBHSA-N 280.346 3.938 30 20 CHED CC(C)C[C@H](Cc1cccc(Cl)c1)NCCC#N 426006036 UZALVOKMWOUPBQ-OAHLLOKOSA-N 264.800 3.800 30 20 CHED COc1ccc(C#N)cc1CN(C)Cc1cccc(C)c1 130415128 WFMSFMCSRFJFCB-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C=C(Cl)CNC(=O)c1sccc1-c1ccccc1 134820080 IHOSGLDMBDFTHY-UHFFFAOYSA-N 277.776 3.897 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cn1 516903585 JIZOTAOQICYAFU-ZDUSSCGKSA-N 299.805 3.670 30 20 CHED Cc1ccc2sc(C(=O)N[C@@H]3CC[C@H](C#N)C3)c(C)c2c1 424967545 RBRBTGAFSOYJRJ-QWHCGFSZSA-N 298.411 3.940 30 20 CHED CCO[C@@H](C)c1nc(CSCCCC#N)cs1 190950549 JTIISDSSMXUKQW-JTQLQIEISA-N 270.423 3.778 30 20 CHED Cc1nccc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n1 329618880 FBLJNSRCJWSGPZ-HZSPNIEDSA-N 273.380 3.980 30 20 CHED Clc1cccc(C#CCSc2nccn3ccnc23)c1 193590463 IRJKVEXITNWEDK-UHFFFAOYSA-N 299.786 3.527 30 20 CHED C=CCCN(C)C(=O)[C@H](CC)Cc1ccccc1C 424799417 VDKPUVOSYKSGBR-OAHLLOKOSA-N 259.393 3.598 30 20 CHED C=C1CCN(C(=O)[C@H](OC(C)(C)C)c2ccccc2)CC1 338207599 GPWOSNFBSBNETE-MRXNPFEDSA-N 287.403 3.721 30 20 CHED CCC1(CC)CCC(N/C(O)=N/Cc2ncoc2C)CC1 331013427 KLCWEFLPVBNQTQ-UHFFFAOYSA-N 293.411 3.736 30 20 CHED N#Cc1cc(F)ccc1CN1CCCC12CCCCC2 536181289 TVOIRQCDVRPPRV-UHFFFAOYSA-N 272.367 3.996 30 20 CHED Cc1cc([C@H](C)/N=C(/O)c2cn(C)nc2C(C)C)c(C)o1 330566135 MAMLPMLZMNNFIO-NSHDSACASA-N 289.379 3.819 30 20 CHED C#CC[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C1CC1 83971568 MEVKIMUNRYWKTG-QFQMRYFISA-N 291.350 3.593 30 20 CHED C=C(C)COCCN[C@H](C)c1cc2ccc(C)cc2o1 426038980 IBSKULHBORUCKV-CQSZACIVSA-N 273.376 3.985 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)c1cc(C#N)ccc1Cl 334243977 YYZQWADFYVDDEZ-SNVBAGLBSA-N 288.734 3.638 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC2(CCCC2)CC1)OCC 339362649 WAWBSGUPXOWMQP-OAHLLOKOSA-N 279.424 3.541 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)[C@@H]2CCCC[C@H]12 332240296 ITPJCPMHFOZAOQ-KBRIMQKVSA-N 297.402 3.795 30 20 CHED Cc1nc2ccncc2cc1OCc1cccc(F)c1C#N 427529055 BYZLEHCLGBGZCG-UHFFFAOYSA-N 293.301 3.528 30 20 CHED CCCC[C@H](CC)CC(=O)NCC#Cc1cccc(F)c1 513209336 ASMIWTHZJNSLFW-HNNXBMFYSA-N 289.394 3.900 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]21 335393932 FDRMUVWQLLTCPE-BBRMVZONSA-N 283.375 3.663 30 20 CHED C[C@H](Nc1ccc(Cl)cc1C#N)c1ccncc1F 337805349 KFURRYUBCSVYMG-VIFPVBQESA-N 275.714 3.919 30 20 CHED COc1cc(C)ccc1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331266767 CQLOBRYFXSHJIM-ZYHUDNBSSA-N 262.353 3.518 30 20 CHED Cc1ccsc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 335082382 DEDOJNIMRSYTFW-LBPRGKRZSA-N 284.384 3.761 30 20 CHED O/C(=N/CCC1CCCCC1)N[C@@H]1CCOC2(CCC2)C1 330220009 PXIAJTBKXYHZKZ-OAHLLOKOSA-N 294.439 3.562 30 20 CHED N#CC1(N(C(=O)c2cc(F)cc(Cl)c2)C2CC2)CCC1 336164363 XWSLCJGHMGCOKE-UHFFFAOYSA-N 292.741 3.530 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC(CC#N)CC2)c1 336575188 RBVMEQUODYQYAG-OAHLLOKOSA-N 299.418 3.700 30 20 CHED Cc1cscc1C(=O)Nc1sc(C)c(C)c1C#N 335761867 VFRCOSBXYDVSED-UHFFFAOYSA-N 276.386 3.859 30 20 CHED CCc1cnc(CNc2ccc(C(F)(F)F)c(C#N)c2)o1 234262590 UWLFQZRRADKBMV-UHFFFAOYSA-N 295.264 3.740 30 20 CHED COc1ccc(C#N)cc1CN1[C@H]2CCCC[C@H]2C[C@H]1C 438174099 GBVUFUVJHQUCER-KMFMINBZSA-N 284.403 3.720 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc([C@@H]3C[C@@H]3C)o2)n1 522284749 ZVONWPRZFVYQNG-SMDDNHRTSA-N 281.359 3.899 30 20 CHED CCS[C@@H]1CCC[C@@H](Nc2snc(C)c2C#N)C1 342817113 MFDOLJNHZVOTFI-GHMZBOCLSA-N 281.450 3.799 30 20 CHED C[C@H](NC(=O)C1C[C@H]2CCC[C@H](C1)C2)c1ccc(C#N)cc1 435567309 ZDLOSYJDKFBNJC-BPUTZDHNSA-N 296.414 3.952 30 20 CHED CCc1ccccc1Cn1nc(C#N)c2ccccc21 432458456 VJDWSMUFUVDRIY-UHFFFAOYSA-N 261.328 3.519 30 20 CHED COc1ccc2c(c1)[C@H](NCc1ccc(C#N)s1)CCC2 344709269 RWFIDOVPMBABSD-QGZVFWFLSA-N 298.411 3.796 30 20 CHED CC(=O)c1ccc(C#N)c(N2Cc3cccc(Cl)c3C2)c1 340850260 MIBCGTDASFFIPA-UHFFFAOYSA-N 296.757 3.934 30 20 CHED C=CCCN(C)C(=O)CSCc1ccc(Cl)cc1 342022713 UYGMMGZEOGOCME-UHFFFAOYSA-N 283.824 3.608 30 20 CHED Cn1ncc(NCc2cc(C#N)cs2)c1-c1ccccc1 342227153 XZSUXFGDSGDMMO-UHFFFAOYSA-N 294.383 3.632 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1ccc(O[C@H](C)C#N)cc1 245696342 CINWYWKFXCOTLP-OWCLPIDISA-N 286.419 3.988 30 20 CHED C[C@H](CC1CCCC1)C(=O)NCC(C)(C)CCC#N 345914115 SRXNRGUBWZFLDC-CYBMUJFWSA-N 264.413 3.649 30 20 CHED N#CCc1ccc(CN[C@@H](c2ccccc2)C(F)F)cc1 433042750 GPVIORPNYJHKAN-INIZCTEOSA-N 286.325 3.849 30 20 CHED C=C(C)CCc1noc(CC2(c3ccccc3)CC2)n1 528194040 XPXKWZPTDBUVMH-UHFFFAOYSA-N 268.360 3.853 30 20 CHED CCCOc1cc(/C=C\c2ccncc2C#N)ccc1OC 347454653 WPXIHTXPTRSYPC-XQRVVYSFSA-N 294.354 3.921 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCc2c(F)cccc21 436313987 QFLSIJJQLCUHRA-MRXNPFEDSA-N 277.302 3.668 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@H]2CCc3ccccc32)no1 346520543 AYYWDTZIXFGHTK-JYJNAYRXSA-N 296.370 3.596 30 20 CHED CC1(C)CCCN(C(=O)c2sccc2C2CC2)[C@H]1C#N 434032964 UTFIALYGCBLPLR-ZDUSSCGKSA-N 288.416 3.780 30 20 CHED COc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1Cl 255730745 RRZVKDQFMUWICW-RQOWECAXSA-N 291.709 3.779 30 20 CHED CC[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)(C)C 609240195 SQTCMWWYAKAHFQ-SWLSCSKDSA-N 287.407 3.743 30 20 CHED Cc1nccn1-c1ccc(C(=O)/C=C\c2cncs2)cc1 255318839 XBNLCZWBNCMJNU-SREVYHEPSA-N 295.367 3.533 30 20 CHED C=C[C@](C)(CC)C(=O)N(CC)Cc1ccc(C)cc1 527489462 VFYMXKPADMQTIL-QGZVFWFLSA-N 259.393 3.946 30 20 CHED CCc1cccc(Oc2ccc(NC(=O)[C@H](C)C#N)cn2)c1 524069621 IRUNVJSOJAYEAJ-GFCCVEGCSA-N 295.342 3.534 30 20 CHED C[S@@](=O)Cc1ccc(Cl)c(NCCC(C)(C)C#N)c1 345332447 YSVCDGLHWIWBFF-LJQANCHMSA-N 298.839 3.570 30 20 CHED CCc1c(C)sc(NC(=O)CSC(C)C)c1C#N 524331410 JLVUYWKOSFQZQD-UHFFFAOYSA-N 282.434 3.571 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)cc1 604016807 CVZVLCFZSYAFST-LJQANCHMSA-N 294.373 3.904 30 20 CHED CCc1ccccc1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N 447904979 LKDJVCOJNZHCNP-RBUKOAKNSA-N 298.430 3.676 30 20 CHED C=CC1CCN(C(=O)/C=C\c2ccc3ccccc3n2)CC1 255806475 KRHBEJKYERNGMK-KTKRTIGZSA-N 292.382 3.673 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2cc3ccccc3o2)C1 609737074 ZAPSPUNCZRXMDA-ACJLOTCBSA-N 296.370 3.564 30 20 CHED C=C(C)CN(CC)C(=O)c1c[nH]cc1-c1cccc(OC)c1 357581308 RNGGADYRNULZNB-UHFFFAOYSA-N 298.386 3.729 30 20 CHED Cc1cc(F)cc(NCc2cn3ccccc3c2C#N)c1 446636130 CJSOKOLMTCHSKL-UHFFFAOYSA-N 279.318 3.871 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 351752910 SZLJUGVVOJBXTE-AWEZNQCLSA-N 296.345 3.514 30 20 CHED CCC(CC)[C@H](C)C(=O)N(C)c1ccc(C#N)cc1 535619772 GFQOYBCXOMBXOH-LBPRGKRZSA-N 258.365 3.593 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1ccc(Cl)cc1)C(C)C 537097299 JMNLYJOTTSHTKN-CZUORRHYSA-N 281.827 3.811 30 20 CHED CCCc1nc(C)c(NCc2cc(C#N)cs2)s1 354928155 JSGDCBPVDRCATB-UHFFFAOYSA-N 277.418 3.949 30 20 CHED C=CCC1(C(=O)NCc2cc3ccccc3[nH]2)CCCC1 449813382 HOEMHFFMQJZDJX-UHFFFAOYSA-N 282.387 3.921 30 20 CHED COCc1ccc([S@@](=O)CCCCC(C)(C)C#N)cc1 618070188 QRWSQCWWQFYBOE-FQEVSTJZSA-N 293.432 3.661 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCc2sccc21 352539891 DRUZKSVIOCLOAM-ZDUSSCGKSA-N 277.433 3.887 30 20 CHED C[C@H]1CN(C)c2ccccc2N(CCC(C)(C)C#N)C1 538466230 HBIAWYYCQBITAY-AWEZNQCLSA-N 271.408 3.519 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 539366008 FPDCXKQWZDDUFR-BZUAXINKSA-N 281.440 3.690 30 20 CHED CC(C)CCOCCN[C@H]1CCCc2cc(C#N)ccc21 611392373 OHQCABBUBHMTCY-SFHVURJKSA-N 286.419 3.588 30 20 CHED C=CCCCN[C@](C)(CC)COc1ncccc1Cl 537678847 VIVJDXAJXNTCDR-OAHLLOKOSA-N 282.815 3.838 30 20 CHED CC(C)[C@@H](Nc1cc(C#N)ccn1)c1ccccc1 355498830 JNBTUMCTDTVDTA-MRXNPFEDSA-N 251.333 3.762 30 20 CHED C=CCCCC(=O)N1C[C@@H](C)Oc2c(Cl)cccc21 356209891 FYHLIJXLEMIVFQ-LLVKDONJSA-N 279.767 3.810 30 20 CHED Cc1occc1CN(C)c1ccc(C(F)(F)F)c(C#N)n1 443521659 JPLQAFIGCRSFHW-UHFFFAOYSA-N 295.264 3.510 30 20 CHED N#Cc1cccc(Cl)c1NCCN1Cc2ccccc2C1 610274584 KVRDKOVIFMAFMT-UHFFFAOYSA-N 297.789 3.639 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1cccc(Cl)c1)C1CC1 536823942 YUSSRAUOURRPPG-GFCCVEGCSA-N 277.795 3.696 30 20 CHED CCCCN(C(=O)[C@H](C)C#N)[C@@H](C)c1ccccc1 531061223 OTFYRTMHYJZPPY-KGLIPLIRSA-N 258.365 3.536 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1cccs1 539387840 MUQMEANCDKOIOG-GFCCVEGCSA-N 266.410 3.634 30 20 CHED C=C(CC)CN1CCC(C(=O)c2ccccc2)CC1 536883347 YIZZTPWHDHQVNX-UHFFFAOYSA-N 257.377 3.548 30 20 CHED C=CC[C@H]1N(Cc2cccc(C(=O)O)c2)CCCC1(C)C 263450152 ZHYFYDWJNFWAQM-MRXNPFEDSA-N 287.403 3.952 30 20 CHED CC(C)[C@H](NC(=O)CCCC#N)c1ccccc1Cl 360282273 ITRIIPTVULWBKI-HNNXBMFYSA-N 278.783 3.847 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@](C)(C#N)C1 612132362 KYUISKLVDPJIPD-XJKSGUPXSA-N 279.428 3.536 30 20 CHED CC(C)CC[C@H](NC(=O)CCCC#N)C(C)(C)C 360203611 HOTQRKFGGKDTHL-ZDUSSCGKSA-N 252.402 3.647 30 20 CHED Cc1ccc(F)c(CCN[C@H](C)c2ccc(C#N)cc2)c1 453362502 RICDDXRXUFJDNQ-CQSZACIVSA-N 282.362 3.899 30 20 CHED N#CCc1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 456724072 FKBUVYMWAQOUKC-UHFFFAOYSA-N 290.366 3.813 30 20 CHED C[C@H](NCC#Cc1cccc(Cl)c1)c1cccc(C#N)c1 611386215 GAGPWTJZJITPPN-AWEZNQCLSA-N 294.785 3.914 30 20 CHED C=C(C)CCNC(=O)N(C)CCC1CCCCC1 455303352 AQEKWUFOXFADAP-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(-c2cccs2)o1 452777566 VJYOXXDMLCJSIN-UHFFFAOYSA-N 275.373 3.950 30 20 CHED C=CCCC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CC1 361840811 YHFAZNJUWSCXRY-AWEZNQCLSA-N 288.778 3.767 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1cc(C)sc1C 454250528 PCKVUTFFXNAILR-LLVKDONJSA-N 266.410 3.691 30 20 CHED Cc1ccc2oc(-c3noc([C@]4(C#N)C[C@@H]4C)n3)cc2c1 453163668 ITOLKPPXVXGNTQ-QFYYESIMSA-N 279.299 3.592 30 20 CHED C#CC[C@H](NC(=O)N(C)C(C1CC1)C1CC1)c1ccccc1 270378090 FNNZJFLEBXLNDJ-KRWDZBQOSA-N 296.414 3.581 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1CC 452784171 NSKGUJIBTNGYSP-JKSUJKDBSA-N 271.404 3.681 30 20 CHED C[C@@H]1CC(=O)c2c(OCCC(C)(C)C#N)ccc(F)c21 548836271 PQYPHPIGDFUSRC-SNVBAGLBSA-N 275.323 3.834 30 20 CHED Cc1ccnc(Nc2cnn(C3CCCC3)c2C)c1C#N 278016240 OPKGLVJSBLWCEK-UHFFFAOYSA-N 281.363 3.625 30 20 CHED C=CC[C@H](CO)CN[C@H](CC)c1ccc(Cl)s1 540393139 FCVHRGBSNIKWGN-WDEREUQCSA-N 273.829 3.627 30 20 CHED CC(C)(NC(=O)CCCC#N)c1cccc(Cl)c1F 362170936 IDDMVZYDLWSVEO-UHFFFAOYSA-N 282.746 3.524 30 20 CHED C=CCNC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 540050307 PNSMKKPBVQMGLU-SECBINFHSA-N 299.201 3.808 30 20 CHED C=CCSCCN[C@H]1CCc2c(Cl)cccc21 541905394 WWPGIIUDKKTFNS-AWEZNQCLSA-N 267.825 3.836 30 20 CHED C[C@H](NC(=O)N1CC[C@H](C(C)(C)C)C1)c1ccc(C#N)cc1 541345781 YGMVJHOGDLOBEM-BBRMVZONSA-N 299.418 3.697 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 465144756 LSAFCGSZXINBMB-VXGBXAGGSA-N 282.387 3.597 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@@H](C)c1cc(C)ccc1C 464753863 IYSNLIQKLZCTMR-KBPBESRZSA-N 260.381 3.580 30 20 CHED N#CCc1ccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 466105753 QSXMDARFEQXIOQ-IAGOWNOFSA-N 297.402 3.843 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](OC)c1cccc(OC)c1 624031319 DALOKBXGIHKKMT-ZQIUZPCESA-N 277.408 3.573 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(-n2cccc2)cc1 548766469 IVZOHVCHTDJSOV-UHFFFAOYSA-N 296.414 3.738 30 20 CHED C=CCC[C@H](NC[C@H](O)c1ccsc1)c1ccco1 276464080 OLAPALKDRIBHMY-KBPBESRZSA-N 277.389 3.672 30 20 CHED C=CCN(CC=C)C(=O)C1(c2cccc(OC)c2)CCCC1 463280482 RXTQYVLWQMBHII-UHFFFAOYSA-N 299.414 3.708 30 20 CHED C=CCOCCSc1ncc(-c2ccc(F)cc2)o1 549344139 NNTANMHVGBFXLC-UHFFFAOYSA-N 279.336 3.775 30 20 CHED N#CCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 285365111 FNEKHCAXJRVODJ-BRWVUGGUSA-N 254.377 3.558 30 20 CHED C=CCN(C(=O)c1oc(SC)cc1C)C(C)(C)C 622946524 VPAWLMJYVVMZID-UHFFFAOYSA-N 267.394 3.737 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1[C@@H]1CCCC[C@@H]1C 639404163 KVIYALBOJKYLGC-VBQJREDUSA-N 284.403 3.893 30 20 CHED CCc1occc1C(=O)N(CCC#N)c1ccc(C)cc1 280885831 URMRJDJDEASRCK-UHFFFAOYSA-N 282.343 3.711 30 20 CHED CC1(C)CC[C@H](NC2(c3cccc(C#N)c3)CC2)C1 556604195 APIRJUCGKIECCB-HNNXBMFYSA-N 254.377 3.716 30 20 CHED C=C[C@@H](C)NC(=O)CCC[C@H](C)c1cccc(OC)c1 469138627 WVVFCFYYAAMWNX-UONOGXRCSA-N 275.392 3.660 30 20 CHED C=C(CN[C@H](c1cncc(F)c1)C1CC1)c1ccccc1 281417089 ZQGLSGQEWPOCRM-SFHVURJKSA-N 282.362 3.975 30 20 CHED CCc1ccsc1C(=O)N(CC)c1ccc(C#N)cc1 463961142 ZZGXSJAEXHTQRI-UHFFFAOYSA-N 284.384 3.849 30 20 CHED C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 463433054 BWEKLMAICGGIBB-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED C=C(Cl)CNC(=O)N1CC(C)(C)[C@@H]1c1cccs1 288932866 UEQYHKGALMELCR-NSHDSACASA-N 284.812 3.593 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1ccccc1)C1CC1 281513179 XLZGBIOFONVAOA-HNNXBMFYSA-N 272.392 3.715 30 20 CHED C=CCN(CC=C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C 552503854 SRIWKBDTNQBJED-ZDUSSCGKSA-N 292.810 3.649 30 20 CHED C=CCCCCNC(=O)Nc1cccc(SC)c1 473500527 YQXJDHFTIPRNJA-UHFFFAOYSA-N 264.394 3.886 30 20 CHED C=CCCCC(=O)NCCCCc1ccc(F)c(F)c1 475976842 IKROIFNSUUHLBE-UHFFFAOYSA-N 281.346 3.760 30 20 CHED C=CCCCCNC(=O)C(C)(C)Cc1ccccc1 471672202 SVLPZFJCWFRSOK-UHFFFAOYSA-N 259.393 3.728 30 20 CHED C=C(C)CN(C)C(=O)C1(c2cccc(C)c2)CCCC1 479294097 YEJFMMVJOQIANW-UHFFFAOYSA-N 271.404 3.841 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc3occc3c2)cc1 802853499 RCDIIQQTODZSBE-UHFFFAOYSA-N 277.279 3.661 30 20 CHED CC(=NN[C@H]1CCSC1)c1ccc(-c2ccccc2)o1 808003009 IPFPMZWBWFVSJY-AWEZNQCLSA-N 286.400 3.766 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H]1C(F)F)c1ccccc1 553631243 XYAZHQCXIHCKGX-TZMCWYRMSA-N 279.330 3.602 30 20 CHED C=CCC[C@@H](C)NCc1ccc(OC(F)F)c(F)c1 556239703 UQGWHJJYEIVYFK-SNVBAGLBSA-N 273.298 3.871 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1cc2cccc(F)c2o1 475694589 NISXMOVBSXTQHC-AAEUAGOBSA-N 277.339 3.550 30 20 CHED C=CCCCCCCNC(=O)N1CCC(C(F)F)CC1 807570459 SMZYQJYXUYSUSL-UHFFFAOYSA-N 288.382 3.810 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 563812122 VHCNHVSHTUNTPB-LSDHHAIUSA-N 257.377 3.569 30 20 CHED C[C@@H](C#N)CNCC(Cc1ccccc1)Cc1ccccc1 569751771 WWPKVZMZAOHYSD-KRWDZBQOSA-N 292.426 3.837 30 20 CHED C[C@H]1Cc2ccccc2N(Cc2ccc(CC#N)cc2)C1 399125919 KEURSPHWBLKUQH-HNNXBMFYSA-N 276.383 3.951 30 20 CHED CCCc1cnc(NC(=O)[C@@]2(C#N)CC23CCCC3)s1 294844931 BUCUSKHBYSWFKD-HNNXBMFYSA-N 289.404 3.508 30 20 CHED CC(C)[C@H](NCCO[C@@H](C)C#N)c1ccc(Cl)cc1F 801939016 OPICSSRNPYWILW-NHYWBVRUSA-N 298.789 3.694 30 20 CHED C#CCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C 803600165 KNNVXUZOXJTIPZ-MRXNPFEDSA-N 291.822 3.999 30 20 CHED C=CCCOc1c(F)cc(F)cc1Br 562764468 JKSFJOIWYHWIEZ-UHFFFAOYSA-N 263.081 3.682 30 20 CHED C=C1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2F)CC1 476020404 KZGZXJXQFPWLPR-UHFFFAOYSA-N 295.785 3.935 30 20 CHED N#Cc1nn(Cc2cccc(C(F)F)c2)c2ccccc12 475882600 RUJVCCQNQHHIAR-UHFFFAOYSA-N 283.281 3.894 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2cc(OC)ccc2c1 806612555 FXSPCPDJQODDAT-NSHDSACASA-N 270.332 3.544 30 20 CHED CC[C@@H](C#N)NC(=O)C(C)(C)c1cccc2ccccc12 294651338 URAPSDQNMVLWDQ-AWEZNQCLSA-N 280.371 3.536 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2c(C)noc2C)CCCC1 648929925 QMWIWLURTFOKBW-NSHDSACASA-N 276.380 3.605 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(SC)cc1 488853790 MOAWJMBOPWGKTI-ZDUSSCGKSA-N 261.390 3.589 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccncc1Cl 817346313 RUDCPEZAEKBPAY-SNAWJCMRSA-N 289.766 3.652 30 20 CHED C#Cc1ccccc1CC(=O)N[C@](C)(CC)c1ccccc1 812984129 SYVRXOYNDUVZPB-HXUWFJFHSA-N 291.394 3.652 30 20 CHED C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C 487402423 XGESALJEDISBPJ-KBPBESRZSA-N 256.393 3.576 30 20 CHED N#CCCCC(=O)OCc1csc(-c2cccs2)n1 812616860 SMISWIGKGYGPJH-UHFFFAOYSA-N 292.385 3.609 30 20 CHED Cc1cc(C#N)c(=O)n(Cc2ccc(C3CCCC3)cc2)c1 568511414 VWXLIXHZTQCZIW-UHFFFAOYSA-N 292.382 3.734 30 20 CHED N#Cc1cccc(Cl)c1N1CCC(C(F)F)CC1 481834735 YCCRUNDTXHWCTJ-UHFFFAOYSA-N 270.710 3.693 30 20 CHED Cc1c(NN=C2CC[C@H]2C2CCC2)cccc1[N+](=O)[O-] 814834771 WEXHISWDFHJRGB-LBPRGKRZSA-N 273.336 3.881 30 20 CHED Clc1cnc(NN=C2CC3(CC3)C2)c(Cl)c1 814740720 USOCOGZYVITMKB-UHFFFAOYSA-N 256.136 3.730 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C(F)F)nc1 653653758 HIJSWOSNWQOBQU-UHFFFAOYSA-N 282.334 3.838 30 20 CHED FC(F)(F)c1cccc(NN=C[C@@H]2CCCOC2)c1 814689603 AUSHERJXOUFWRZ-JTQLQIEISA-N 272.270 3.530 30 20 CHED CC1(C)CN(c2ccc(C#N)cc2F)Cc2ccccc2O1 575948628 KBSHFQMRBMOVEF-UHFFFAOYSA-N 296.345 3.875 30 20 CHED CC(Cc1ccc(O)cc1)=NNc1ccc(F)cc1C 814884961 GOLPCUSAJCYAQK-UHFFFAOYSA-N 272.323 3.870 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(OCC(C)C)cc1 488854438 NKAMORAIMZLSAJ-INIZCTEOSA-N 287.403 3.902 30 20 CHED CCC[C@@H](C)CC(=O)N[C@@H](C#N)c1ccc(CC)cc1 575903841 CWGSDNPKDDRGQG-CJNGLKHVSA-N 272.392 3.756 30 20 CHED C=CCCC[C@H](C)NC[C@H](O)c1ccc(Cl)c(F)c1 819209904 NQUIVFUDHFGTNK-NHYWBVRUSA-N 285.790 3.847 30 20 CHED C=CCCn1cc(CN(CC)[C@@H](CC)c2ccccc2)nn1 653515233 QGEATMYJUNGQMR-SFHVURJKSA-N 298.434 3.827 30 20 CHED CC1(C)OCCC1=NOCc1ccc(C(F)(F)F)cc1 814882413 OCMMPERZTUOYGI-UHFFFAOYSA-N 287.281 3.777 30 20 CHED CC(C)Oc1cccc(C=NN[C@H](C)c2ccncc2)c1 819814933 IRXAXDJQSJGBHY-CQSZACIVSA-N 283.375 3.554 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(F)c(N)c1 818433364 CRUHFIOYAVRWDC-UHFFFAOYSA-N 290.382 3.616 30 20 CHED C#Cc1ccccc1Cc1nc(-c2cccc(C)c2F)no1 810312047 ITWVVDMBTDHRJT-UHFFFAOYSA-N 292.313 3.756 30 20 CHED CC[C@H](C(=O)N[C@]1(C#N)CC1(C)C)C1CCC(C)CC1 484914976 ZMXIJNNLOMDVMT-QKRUXVEJSA-N 276.424 3.647 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 811595545 QQAWPDJRDCHAQQ-ZBFHGGJFSA-N 281.440 3.763 30 20 CHED C=CCCCCCCCNC(=O)c1ncc(F)cc1F 813256242 APOAQHALSZJMRS-UHFFFAOYSA-N 282.334 3.616 30 20 CHED C/C(=C\C(=O)O[C@H](C)c1cccc(C#N)c1)C1CC1 727638969 APJNHKGMJOALBQ-JATZPVMKSA-N 255.317 3.519 30 20 CHED C=C(C)CN(CC)S(=O)(=O)/C=C/c1ccccc1Cl 727439692 HAZSIBKBBKSJRW-MDZDMXLPSA-N 299.823 3.539 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cccc(F)c1C#N 811691984 BAZVNGUNEARPEE-SREVYHEPSA-N 280.302 3.551 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn(-c2ccc(C)cc2)c1C 650525429 SKGXPLPLQBMAOY-ZDUSSCGKSA-N 298.390 3.575 30 20 CHED C[C@@H]1CCCC(=NNCCCOc2ccccc2)C1 729148020 QLTAEEXGNYWVOG-CQSZACIVSA-N 260.381 3.611 30 20 CHED N#Cc1cc(NCCOc2ccccc2Cl)ccc1F 487367785 QTXYCKIAJTXEKY-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CCC[C@H](CCc1ccccc1)NC(=O)C1(C#N)CC(C)C1 573554213 VMDIUNCZQKQDIT-URSIVYNOSA-N 298.430 3.844 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cc(C2CC2)nc2ccc(C)cc12 491325538 DLDDVXROPAQGMB-ZDUSSCGKSA-N 292.382 3.514 30 20 CHED Nc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cn1 821028326 RGWGHJALEVNQCS-GQCTYLIASA-N 292.260 3.579 30 20 CHED N#CC1(CNCc2cc(C(F)(F)F)ccc2Cl)CC1 571475008 MEOFIGIONMJZBA-UHFFFAOYSA-N 288.700 3.752 30 20 CHED C#CCOc1cc(F)ccc1NC1CCC(C)(C#N)CC1 823518140 MPENLJUIBYONKH-UHFFFAOYSA-N 286.350 3.722 30 20 CHED CC[C@@H](C)CCNC(=O)Nc1ccccc1O[C@@H](C)C#N 822452469 ZGZHVEHJUBAOJG-OLZOCXBDSA-N 289.379 3.535 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccnc1Cl 726970179 IKUVOVWZZPNNKG-UHFFFAOYSA-N 286.806 3.966 30 20 CHED Cc1cncc(C(=O)/C=C\c2cc(F)ccc2C)c1 588476479 ASLVAARURBMOAM-XQRVVYSFSA-N 255.292 3.734 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1c(F)cccc1F 727258866 VIVQXQNWRLRZRK-UHFFFAOYSA-N 298.296 3.744 30 20 CHED C=CCC1(c2nc([C@H](CC)OCC)no2)CCCC1 665044031 PHCMHBXBEMYMOI-LBPRGKRZSA-N 264.369 3.945 30 20 CHED CC(C)(C)C(=O)Nc1ccc(-c2csc(CC#N)c2)cn1 904759383 SGQRGTPEGBIRJY-UHFFFAOYSA-N 299.399 3.861 30 20 CHED CC(C)c1nnc(SCCCCC2(C#N)CCC2)n1C 901483579 YTCHMMIBERNPFJ-UHFFFAOYSA-N 292.452 3.895 30 20 CHED C=CCC1(C(=O)Nc2cc(O)c(F)cc2F)CCCC1 909987662 BHDMBZBNBHSPRV-UHFFFAOYSA-N 281.302 3.745 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)C1(c2ccccc2)CCCC1 583225513 BEHYKEQRRVVGGM-IAGOWNOFSA-N 287.447 3.661 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(O)nc3c2CCCC3)n1 904080621 ZVJXTUVKKDXDSW-UHFFFAOYSA-N 299.374 3.570 30 20 CHED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C#CC1CC1 837451907 NPSZIKFROVKOOZ-STQMWFEESA-N 289.806 3.704 30 20 CHED CC[C@@H](NCc1sc(C)nc1C)c1cccc(C#N)c1 902820577 SGPLGQBXQGBXBP-OAHLLOKOSA-N 285.416 3.873 30 20 CHED Cc1nc(C#N)c(C#N)n1Cc1ccc(C2CCCC2)cc1 581995020 DXNCBWZKXPGHJT-UHFFFAOYSA-N 290.370 3.641 30 20 CHED Cc1c2c(nc3ccc(F)cc13)CC[C@@](C)(C#N)C2 905018217 UHAOIIRVSCGUPX-MRXNPFEDSA-N 254.308 3.701 30 20 CHED COc1cccc(/C=N/Cc2coc3ccccc23)c1O 733904652 ZGEWLPFXUJAURY-GIJQJNRQSA-N 281.311 3.766 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(F)cc1OC(F)F 903100798 YLAIMBSHTLPZLY-VIFPVBQESA-N 286.297 3.627 30 20 CHED N#Cc1cncnc1Nc1ccc(COC2CCCC2)cc1 582119190 LETFMDMJSRTQHK-UHFFFAOYSA-N 294.358 3.551 30 20 CHED CC[C@@H](CC#N)NCCOc1cc(Cl)cc(Cl)c1 584788843 RUKXDFZZYBUNQW-LBPRGKRZSA-N 287.190 3.654 30 20 CHED N#CCc1cccc(C(=O)N2CCCCCCCC2)c1 836923692 CBKMOFFGTJUXRM-UHFFFAOYSA-N 270.376 3.549 30 20 CHED C=C[C@H](CC)CC(=O)N(CC)c1ccc(C#N)cc1 903636802 OIYCMWSFMUGPPP-CYBMUJFWSA-N 256.349 3.513 30 20 CHED CSc1ccc(/C=C/C(=O)c2cn(C(C)C)nn2)s1 901525291 JGQKDTKRCWIFKI-GQCTYLIASA-N 293.417 3.539 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(N)cc1 734301657 KGFGCIFWXQLLCA-UHFFFAOYSA-N 279.265 3.522 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)nc1)CC2 588524155 ZPBHHKQACOCHAG-NTEUORMPSA-N 267.303 3.742 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)/C=C(\C)C(C)(C)C 839424477 MERIORLQGYGPGN-DHZHZOJOSA-N 284.359 3.692 30 20 CHED C=C[C@H](CCC(=O)O)NC/C=C/c1cc(C)c(C)cc1C 904014047 NAKWRDIWLXLXBW-DKRLNXSXSA-N 287.403 3.634 30 20 CHED C=C(Cl)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 839648783 BVQRESUPQKDQLS-HNNXBMFYSA-N 277.795 3.593 30 20 CHED C=COc1ccc(NC(=O)N(CC)CC(=C)C)cc1 839151199 RXDREQYCXRUKME-UHFFFAOYSA-N 260.337 3.639 30 20 CHED N#CCCCCCC(=O)N(CC(F)F)c1ccccc1 588939954 AEUPCFCNFYKOKV-UHFFFAOYSA-N 280.318 3.759 30 20 CHED CCCC[C@@H](CC)C(=O)N(C)c1ccc(C#N)cc1F 589763750 VGHPRIMAAFXAIK-CYBMUJFWSA-N 276.355 3.877 30 20 CHED CCN(CC)Cc1cccc(NC(=O)C#CC(C)(C)C)c1 837336119 VIIWMTVHOQBZFP-UHFFFAOYSA-N 286.419 3.516 30 20 CHED C#CCCCCCCOC(=O)/C=C/c1cnccc1C 835715229 VJHPRHKNHOEYKE-MDZDMXLPSA-N 271.360 3.530 30 20 CHED CSc1cccc(N[C@@H](C(=O)O)c2cccc(C#N)c2)c1 832789594 AACPFHUVOOFECO-OAHLLOKOSA-N 298.367 3.518 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)[C@]2(C#N)CC23CCCC3)C1 839212314 LBHDMNLFIKMPQK-DVOMOZLQSA-N 261.365 3.582 30 20 CHED C=CCOCCOC(=O)c1ccc(C)c(Cl)c1Cl 835455860 ZDGIVYDDPSGJGD-UHFFFAOYSA-N 289.158 3.661 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)[C@H]1CCCC[C@@H]1C 834998067 BRFXYXIMCSRHLT-GDPRMGEGSA-N 250.308 3.729 30 20 CHED Cc1cccc(CC2CN(Cc3cc(C#N)cs3)C2)c1 590967284 ZRYVBSPMKXPHMH-UHFFFAOYSA-N 282.412 3.603 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CCCc1ccc2c(c1)CCCC2 593112258 DIIGKNBCVRIAMY-GOSISDBHSA-N 298.430 3.552 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cnc(Cl)c(Cl)c2)C1 839055503 JUEOQFFOSKDMQQ-SCZZXKLOSA-N 299.157 3.628 30 20 CHED C=CCCOCC(=O)N(c1cc(C)ccc1C)C(C)C 590439681 SQMUKSVJQMZFCB-UHFFFAOYSA-N 275.392 3.638 30 20 CHED N#CC1CN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 590106501 BNLQYPBPCNAWFD-UHFFFAOYSA-N 291.310 3.573 30 20 CHED C[C@@H]1N(C(=O)NCC(C)(C)CC#N)c2ccccc2C1(C)C 596624127 OHRSODFWKPAZLN-ZDUSSCGKSA-N 299.418 3.822 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C#N)c(Cl)c2)C1 598299850 VKTJCWDPFJWJMK-VXGBXAGGSA-N 290.794 3.862 30 20 CHED COCc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1 741842093 DQZBEOFRGPTNIA-ZROIWOOFSA-N 282.314 3.795 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Cl)cc1SC 597896435 QRPROLMLYCAQQV-MRVPVSSYSA-N 268.769 3.550 30 20 CHED C=CCN(C(=O)Nc1ccc(F)c(Cl)c1)C(C)C 916706159 JGAJSRUVJDYFOP-UHFFFAOYSA-N 270.735 3.907 30 20 CHED CC[C@](C)(C#N)NC(=O)CCCc1ccc2c(c1)CCCC2 593106124 OWXUKAKCGCQVFW-LJQANCHMSA-N 298.430 3.697 30 20 CHED C[C@H](C=NNc1cccc([N+](=O)[O-])c1)c1ccccc1 916268869 BQGYZWGJZZTKTI-GFCCVEGCSA-N 269.304 3.796 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 840605217 LJXVJZURBOYJLT-DOPJRALCSA-N 291.350 3.966 30 20 CHED CC(C)N(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CCC1 593980739 PQSYQNDSEZVVPF-CQSZACIVSA-N 284.403 3.526 30 20 CHED CO[C@@H](CN[C@H](CCC#N)c1ccccc1)CC(C)C 591375700 UBLJTCDXTGYMFS-IAGOWNOFSA-N 274.408 3.682 30 20 CHED Cc1ccc2sc(SCCOCCC#N)nc2c1 919623315 WJMVZVPMAQRFEL-UHFFFAOYSA-N 278.402 3.627 30 20 CHED CCCCC(CC)=NNc1ncc(Br)cn1 848420485 DBFKGEFJLFVBOO-UHFFFAOYSA-N 285.189 3.607 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 594091993 QYQDRPPVGAHFNQ-BRWVUGGUSA-N 284.403 3.721 30 20 CHED Clc1ccc(C=NNCc2ccccc2Cl)cn1 748785241 GKSPPVTWJXCFLS-UHFFFAOYSA-N 280.158 3.512 30 20 CHED CCC(CC)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 594892213 WWRNXEGOQQRTGD-UHFFFAOYSA-N 288.778 3.963 30 20 CHED COc1ccc(Cl)cc1C=NNc1ccccc1F 917543554 RHJKARZTTDHDHJ-UHFFFAOYSA-N 278.714 3.934 30 20 CHED Cc1cnccc1S[C@@H](C#N)Cc1ccccc1 590132053 KJVMORQZYWDTCA-CQSZACIVSA-N 254.358 3.617 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)CCC(C)C 670203509 HVYQPGRYJKBPBU-UHFFFAOYSA-N 276.428 3.604 30 20 CHED Cc1ccccc1CCNC(=O)CC1(C#N)CCCCC1 596662021 QRLVGYNQZMSMLL-UHFFFAOYSA-N 284.403 3.518 30 20 CHED N#CCC1(CSCCc2ccc(F)c(F)c2)CC1 596351294 RTSNOLCEZGCCKX-UHFFFAOYSA-N 267.344 3.934 30 20 CHED C=C[C@H](C)ON=CC(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1 844621382 GUHZIBLXKOHTPP-DZGCQCFKSA-N 290.363 3.650 30 20 CHED N#Cc1csc(CNCCC[C@@H]2CC2(Cl)Cl)c1 846105350 RMSGLLGGZGQBBV-SNVBAGLBSA-N 289.231 3.683 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N[C@@H]1C[C@H]1C1CCCCC1 741648778 FHWNXISNLDZGHZ-WFJXPABVSA-N 294.398 3.656 30 20 CHED CC(C)[C@@H]1CCc2c(sc(NC(=O)C3CC3)c2C#N)C1 591005201 GFGIJIKCMMXPRK-LLVKDONJSA-N 288.416 3.729 30 20 CHED CCCCCCCCCCC(=O)N(C)c1cn[nH]c1 748396054 YSNUSAUDVOGSTJ-UHFFFAOYSA-N 265.401 3.903 30 20 CHED C[C@@H](CCC#N)N1CCC(Cc2nc3ccccc3[nH]2)CC1 595551207 GTTPHVOCAUXCNK-AWEZNQCLSA-N 296.418 3.510 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc2nc(C(C)C)sc2c1 593423744 IQLKYKUQXAZHPA-SNVBAGLBSA-N 287.388 3.908 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)no1 841620014 SJIHRLZSEXQTAB-ZDUSSCGKSA-N 271.364 3.791 30 20 CHED Cc1ccc(C=NNc2ncccc2Cl)c(C)c1 917549288 KYOMFLDEHQTBOZ-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CC(C)(C)CCCCC(=O)N1CCC[C@@H](CC#N)C1 597901165 SNMMWICUDPRYAG-AWEZNQCLSA-N 264.413 3.745 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1nc(Cl)c(C#N)s1 841223746 NUGOQJIJQZOHKQ-RKDXNWHRSA-N 297.811 3.823 30 20 CHED Cc1ccc(-c2cccc(C[C@@H](C#N)CO)c2)cc1C 596635079 CVMCZRGWGIQUER-INIZCTEOSA-N 265.356 3.645 30 20 CHED C=C[C@H](C)ONC(=O)c1oc2ccccc2c1CSC 846542281 YIPVLVMSFYJDIA-JTQLQIEISA-N 291.372 3.532 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccc(CC(=O)O)cc2)C1 848415295 YYJNUISOAAXPMP-GXTWGEPZSA-N 274.364 3.538 30 20 CHED Cc1cc(N2CCC3(CCC3)CC2)c(C#N)cc1[N+](=O)[O-] 591160934 HNEUYSJOSTZYSO-UHFFFAOYSA-N 285.347 3.545 30 20 CHED C=CCC[C@H](NC[C@@H]1COc2ccccc2C1)C1CC1 747866433 KFOASGKHLKFUKB-PBHICJAKSA-N 271.404 3.572 30 20 CHED C#CC1CCN(C(=O)c2cc3cccc(C)c3s2)CC1 843698926 FUYLNAQLWXCJSG-UHFFFAOYSA-N 283.396 3.695 30 20 CHED Cc1cccc2cc(C(=O)OCC#Cc3ccccc3)oc12 747114824 WQDHHISHONGLMB-UHFFFAOYSA-N 290.318 3.950 30 20 CHED C=C(Cl)COC(=O)/C=C(\C)c1ccc(F)cc1 743074131 KWBFTUFIOMJDOT-VQHVLOKHSA-N 254.688 3.525 30 20 CHED COCc1ccccc1/C=C(\C)CN1CCC[C@@H](CC#N)C1 597175315 AVKJEMXREXWMFO-MOKGIYGOSA-N 298.430 3.862 30 20 CHED C#CC1CCN(C(=O)CCCc2ccccc2Cl)CC1 843699406 PMZSXYQUUNWHPO-UHFFFAOYSA-N 289.806 3.535 30 20 CHED CCCOc1ccc(CN2CCC(C)(C#N)CC2)c(C)c1 597085141 RXKAQMQKCAIFHW-UHFFFAOYSA-N 286.419 3.910 30 20 CHED N#CC1(Cc2nc(-c3ccc(F)cc3)no2)CCCCC1 594727827 AOJAMOFNVLUOBI-UHFFFAOYSA-N 285.322 3.892 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1cccc([N+](=O)[O-])c1 747004141 ZINWCWUOPNVBMR-FPLPWBNLSA-N 297.310 3.808 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H](C)Oc1cccc(F)c1 925156819 QSKLIWZUGOGYJX-CHWSQXEVSA-N 278.371 3.511 30 20 CHED O=C1/C(=C/C=C/c2ccccc2)Oc2ccc(F)cc21 749748838 QILSBSWEQVIJFL-QSJINSDNSA-N 266.271 3.998 30 20 CHED COc1ccc(C(C)=NNc2ccc(C)cn2)c(C)c1 841627261 OHPJAXKOVFLGSR-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C=CCCCCCCN[C@H](C)c1cc2n(n1)CCC2 840749494 KYDHKKBUATYVLH-CQSZACIVSA-N 261.413 3.616 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cc(OC)ccn1)c1ccccc1 925632758 AMUBTNMRRQIBEU-WMLDXEAASA-N 280.371 3.505 30 20 CHED C#CCCCC(=O)N(Cc1ccsc1)C(C)(C)C 857640186 GYKSMXWFOFEMHG-UHFFFAOYSA-N 263.406 3.679 30 20 CHED Cc1ccc(NC(=S)NN=C/C=C/c2ccco2)c(C)c1 920362045 IJYAXYQYZRYMQI-CFVHLLPYSA-N 299.399 3.882 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1(c2ccccc2)CCC1 925779114 LQCKYFIQCPCBLO-AWEZNQCLSA-N 256.393 3.984 30 20 CHED N#Cc1ccc(/C=C/C=C\c2ccccc2[N+](=O)[O-])nc1 750912875 IJZGVYXZGYYSQH-YLSHZGKGSA-N 277.283 3.588 30 20 CHED CCn1nc(C)c(C=NNc2ccc(Cl)cc2)c1C 755462246 QPRPYQHGGZGOLZ-UHFFFAOYSA-N 276.771 3.619 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1cc(O)cc(O)c1 753696652 IVCQHTJDWPHKFJ-UHFFFAOYSA-N 294.713 3.726 30 20 CHED C=CCc1cc(OC)cc(CN(CC2CC2)C(C)C)c1O 754726582 RISWZPYFTULGBD-UHFFFAOYSA-N 289.419 3.750 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(CC)[C@@H](C)C#N)cc1 856075599 OFKOAAVUNZHJRR-STQMWFEESA-N 258.365 3.574 30 20 CHED C#CCCc1noc(Cc2c(CC)oc3ccccc23)n1 858688749 OBRNFYZYCUIREO-UHFFFAOYSA-N 280.327 3.535 30 20 CHED C#CCCCCN[C@@H](c1cccc(C)c1)c1ccccn1 925526830 MFUFAHJDUOUMEA-IBGZPJMESA-N 278.399 3.873 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(F)cc(F)c2O)c1 757471464 CRAUVIGJCPWGAF-WAYWQWQTSA-N 290.265 3.575 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc(Cl)cs1 759068218 KIKLUIDANLFPAR-UHFFFAOYSA-N 295.791 3.865 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)c(O)c1 757475239 IILXHETUSDYJPY-ZZXKWVIFSA-N 280.323 3.532 30 20 CHED CCCCCCCCNC(=O)c1cccc2nc(O)oc12 754848735 BZASOWMXPBEGGN-UHFFFAOYSA-N 290.363 3.624 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccc(-c2ccccc2)cc1F 757200086 VUTWBIZLVWSBOA-GFCCVEGCSA-N 297.333 3.774 30 20 CHED CCCCCCCCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 754189570 QJEQRERHMNEIJG-USXIJHARSA-N 293.451 3.811 30 20 CHED C[C@H](CCC#N)N[C@@H]1CC2(CCC2)Oc2ccccc21 932214895 SCFYLLSGLNBQCQ-UKRRQHHQSA-N 270.376 3.715 30 20 CHED C=C(Cl)CN[C@H](C)c1cc(C)c(OC)cc1C 753677378 DNQNPCWCKAAEJQ-GFCCVEGCSA-N 253.773 3.715 30 20 CHED C=CCCCC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 757800330 KFKLTZPGJPUEHL-OAHLLOKOSA-N 285.387 3.905 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cncc(C)c2)cc1OC 767366561 HWUPODYDSAZMQP-FNORWQNLSA-N 297.354 3.693 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)c1ccoc1Cl 764873406 LYYLAIBQZHEKAY-UHFFFAOYSA-N 296.109 3.815 30 20 CHED C[C@H](c1cccnc1)N1CCC(c2ccc(C#N)cc2)CC1 933613060 QOWMRUUTYJGQGC-OAHLLOKOSA-N 291.398 3.894 30 20 CHED CCCCCC[C@H]1CCC[C@@H]1NC1CCN(CC#N)CC1 765856948 SEJUESVTVXAPPM-WMZOPIPTSA-N 291.483 3.703 30 20 CHED CC(C)c1ccc(C(=O)OCC2(C#N)CCC2)cc1 768086712 ZQYXZXWPRCRGOE-UHFFFAOYSA-N 257.333 3.661 30 20 CHED CCC(CCc1ccccc1)=NNCCC(F)(F)F 863109247 GZLKMBYXUJTPAR-UHFFFAOYSA-N 272.314 3.927 30 20 CHED Cc1ccc(C=NNc2ccnc(Br)c2)s1 769806057 VOXOYVPXHAVLOV-UHFFFAOYSA-N 296.193 3.660 30 20 CHED N#CC1(CNc2nc(Cl)cc3cc(F)ccc23)CC1 865751917 DZCLVJBJURZFFD-UHFFFAOYSA-N 275.714 3.743 30 20 CHED C=C(C)COc1cccc(N[C@@H](C)C[C@H]2CCOC2)c1 768515368 BVASWDBWNGYHCZ-LSDHHAIUSA-N 275.392 3.869 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cccc(CC#N)c1 768594238 HYWMECQVQHVJEJ-UHFFFAOYSA-N 284.359 3.630 30 20 CHED CN(CCCCC1(C#N)CCC1)CCC(F)(F)F 1119675668 GOISBMMOTASUKS-UHFFFAOYSA-N 262.319 3.735 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)CC1(C)CCCCC1 767166619 PESFPVLFGZSFBY-UHFFFAOYSA-N 289.341 3.761 30 20 CHED COc1ccc(NN=Cc2cc(C)ccc2C)c([N+](=O)[O-])c1 767802934 CBHJYKDSOOFWHU-UHFFFAOYSA-N 299.330 3.666 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccc(F)cc1F 1116488179 NTPRGCQHYFKTGL-NWDGAFQWSA-N 281.346 3.929 30 20 CHED C=CCC1(C=NNc2ccc(CC(=O)O)cc2)CCCC1 872386789 CDUWEJZNZLQGNR-UHFFFAOYSA-N 286.375 3.848 30 20 CHED N#C[C@@H](OC(=O)c1ccc(N)c(Cl)c1)C1CCCCC1 776387395 QRTZTENQNKVDIR-CQSZACIVSA-N 292.766 3.551 30 20 CHED C=C(CC)CN1C(=O)S/C(=C/c2cccs2)C1=O 773207545 HFDJTIKZDFIDFG-YRNVUSSQSA-N 279.386 3.751 30 20 CHED Cn1cnc(/C=C2\C(=O)c3ccccc3SC2(C)C)c1 871670924 FYEMEOHOCFZGQO-MDWZMJQESA-N 284.384 3.571 30 20 CHED CCCOc1cccc(CC/N=C/c2cccc(O)c2O)c1 771098803 PZINDUHQWJKDLS-CPNJWEJPSA-N 299.370 3.548 30 20 CHED C=CCC[C@@H](CC)NCc1cccc(Br)c1O 775146774 QKSQOBDIRZTRHI-GFCCVEGCSA-N 298.224 3.989 30 20 CHED Cc1cc(C=NOCCC(F)(F)F)c(C)n1C1CC1 777455920 OSIDHABFQLELIV-UHFFFAOYSA-N 274.286 3.743 30 20 CHED CCCCCCCCCNC(=O)[C@H]1CCO[C@@H](C)C1 776462614 YDMBSBDRWSEGAM-GJZGRUSLSA-N 269.429 3.668 30 20 CHED COc1ccc2cc(CNC[C@@H](C)CCC#N)ccc2c1 876908719 PYCYJAPPEZAOLN-AWEZNQCLSA-N 282.387 3.878 30 20 CHED N#Cc1cccc(CN(CCc2ccccc2)C2CC2)c1F 774583981 VYMDDCXTMUSVDR-UHFFFAOYSA-N 294.373 3.904 30 20 CHED Cc1cnc(Cl)c(C(=O)OCCCC(C)(C)C#N)c1 885111667 PUUVCHVHOBYPKX-UHFFFAOYSA-N 280.755 3.530 30 20 CHED CC(C)(Oc1ccccc1)C(=O)O[C@H](CC#N)c1ccco1 1123371071 YOYFEBHKHDJEGY-OAHLLOKOSA-N 299.326 3.635 30 20 CHED CCN(C)c1ccccc1CN[C@H](C)c1cccc(C#N)c1 776154671 CEVCECVXYHLMII-OAHLLOKOSA-N 293.414 3.865 30 20 CHED C=C1CCC(C(=O)N[C@H](CCC)c2ccccn2)CC1 888817451 TWMASFGVWNGAMB-MRXNPFEDSA-N 272.392 3.785 30 20 CHED CC(=NNC[C@H](C)C#N)c1ccc(-c2ccccc2)cc1 771113444 WBJHJBIAOOZEDU-CQSZACIVSA-N 277.371 3.827 30 20 CHED C#Cc1cccc(NC(=O)Nc2cccc3cc[nH]c23)c1 775472976 KNLNBVPEDIZAQV-UHFFFAOYSA-N 275.311 3.793 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)C[C@@H](C)c1ccc(F)cc1F 1121161730 WLKYHYIWYUFFDI-YPMHNXCESA-N 294.345 3.609 30 20 CHED Cc1cnc(Cl)c(C(=O)OCCCCC(C)(C)C#N)c1 885111569 LUSQBCFCWIRPJF-UHFFFAOYSA-N 294.782 3.920 30 20 CHED c1cc(=NN=C2CCC3(CCCCC3)CC2)cc[nH]1 786035529 CFJXBHAJWMEDMX-UHFFFAOYSA-N 257.381 3.796 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cncc(C)c2)cc1F 782351844 NWHRJMNQVZWQNP-GQCTYLIASA-N 285.318 3.824 30 20 CHED Cc1sc(Cl)nc1C(=O)OCC1(C#N)CCCCC1 1122736783 BJCVXHSDWHWVNT-UHFFFAOYSA-N 298.795 3.736 30 20 CHED CC(C)Cc1nc(C(=O)OCCCC(C)(C)C#N)cs1 783279953 OVUPVQBHFZPJNY-UHFFFAOYSA-N 294.420 3.828 30 20 CHED C=CCCCCN[C@@H]1CCc2ccc(Cl)nc21 788751762 ANBIUQWIRLEUSN-GFCCVEGCSA-N 250.773 3.668 30 20 CHED CC(C)(C(=O)OCC1(C#N)CC1)c1ccc(Cl)cc1F 789223323 RKBXDMPGQGPVIW-UHFFFAOYSA-N 295.741 3.604 30 20 CHED CCn1cc(C(=O)/C=C\c2cnc(-c3ccco3)s2)cn1 788096339 ATMPGVVURRYNQF-WAYWQWQTSA-N 299.355 3.516 30 20 CHED N#CCC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 781546912 IIGOYXPGLKITQW-UHFFFAOYSA-N 293.823 3.662 30 20 CHED C#CCCCCCC(=O)Nc1cc(C)cc(CN(C)C)c1 780675239 OLPRWTBUVMDTLJ-UHFFFAOYSA-N 286.419 3.579 30 20 CHED C=CCCCCCOC(=O)/C=C/c1cnccc1C 786919991 YERDSROXHUTMCW-CMDGGOBGSA-N 259.349 3.693 30 20 CHED N#Cc1c(Cl)nsc1N[C@H](c1ccncc1)C1CC1 897422749 QIEVITWTKJRSPC-NSHDSACASA-N 290.779 3.626 30 20 CHED COCC(=NNc1cc(C)ccc1C)C1CCCC1 780197228 RJEGILUSJKYSBH-UHFFFAOYSA-N 260.381 3.908 30 20 CHED Cc1ccc(C(=O)OCCCC(C)(C)C#N)cc1F 782167471 UWFKHJAGNFASDS-UHFFFAOYSA-N 263.312 3.621 30 20 CHED CC1(C)C[C@@H](NN=C2CCC[C@H](C(F)(F)F)C2)CCO1 783524822 SMLIVPVXUKOUOT-JQWIXIFHSA-N 292.345 3.642 30 20 CHED CCC(=NOC[C@@H]1CCOC1)c1cc(Cl)ccc1OC 788030855 QZNIMJMTVVXHHN-LLVKDONJSA-N 297.782 3.516 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1ncncc1Cl 780282369 ISTILBOMJAENRX-UHFFFAOYSA-N 295.173 3.814 30 20 CHED CC(C)c1nccc(N[C@@H]2CCc3cc(C#N)ccc32)n1 784831656 DPADEBYZGVTFFL-OAHLLOKOSA-N 278.359 3.571 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)O[C@H](C#N)C1CCCCC1 780237526 FARWSNOHTFPPDG-OUCADQQQSA-N 251.370 3.684 30 20 CHED C#CCCCCCC(=O)OCCCc1ccsc1 782673497 RONANEWUPBASBV-UHFFFAOYSA-N 264.390 3.808 30 20 CHED CC1(C)C[C@@]1(NC(=O)c1ccc(C#N)s1)c1ccccc1 1131667963 XELHWOATTTVXIJ-QGZVFWFLSA-N 296.395 3.675 30 20 CHED C=CCOCC(=O)O[C@H](CC)c1cccc(Cl)c1F 787025433 IUYQBSRIFACAFS-GFCCVEGCSA-N 286.730 3.676 30 20 CHED C=CCC1(C(=O)O[C@@H](C)C(=O)c2ccccc2)CCC1 791560827 PFUPJFBVVOWCOW-ZDUSSCGKSA-N 272.344 3.547 30 20 CHED N#CCC1(C/N=C\c2cc(Cl)cc(Cl)c2O)CC1 797399023 SPRITHVYXIYDLJ-IDUWFGFVSA-N 283.158 3.812 30 20 CHED CC1(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CCC1 797566479 LBGCMDBODZGRGU-SNVBAGLBSA-N 276.405 3.807 30 20 CHED C=CCN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)C(C)C 798115609 WKFJWGHXAQWMBO-WKILWMFISA-N 272.392 3.539 30 20 CHED 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C[C@H](C(=O)N(C)c1cc(Cl)ccc1C#N)c1ccccc1 121380390 YDQAKDFPVDICFP-LBPRGKRZSA-N 298.773 3.978 30 20 CHED C=C[C@H](CC(=O)N1CCc2ccccc21)c1ccccc1 121895549 QWKVSRHTJJSQNI-OAHLLOKOSA-N 277.367 3.936 30 20 CHED C=CCCSc1nnc(-c2cc(Cl)ccc2OC)[nH]1 128637561 IXQGSPMISCAPFL-UHFFFAOYSA-N 295.795 3.802 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCCN(c2ccccc2)C1 133824255 NVPLRAZGRDACQG-KRWDZBQOSA-N 298.430 3.540 30 20 CHED C=CCCOCC(=O)Nc1cccc(OCCC(C)C)c1 141205229 KMHFGLXMHNYKOO-UHFFFAOYSA-N 291.391 3.643 30 20 CHED C[C@H](CCc1ccccc1F)NCc1cccc(C#N)c1 151381715 XZVOVLIZXZIZRN-CQSZACIVSA-N 282.362 3.808 30 20 CHED Cc1cccc(C(=O)OC[C@@H](C#N)Cc2cccs2)c1C 153309309 GGAJEJWUBAJPDF-CQSZACIVSA-N 299.395 3.904 30 20 CHED C=CCn1c(SC[C@H](C)CC)nnc1-c1ccco1 154495298 ICZHBCJAOCCFPG-LLVKDONJSA-N 277.393 3.862 30 20 CHED Cc1ccc(-c2ncco2)cc1NCc1ccc(C#N)o1 157138580 NWBYPDCFIFTRAX-UHFFFAOYSA-N 279.299 3.727 30 20 CHED CCc1ccccc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 159312569 YSQQEISGTDJMET-MRXNPFEDSA-N 298.773 3.897 30 20 CHED C=CCC[C@H](NC(=O)N(C)CCC)c1ccccc1 160372091 AISPLORYOUQFEX-HNNXBMFYSA-N 260.381 3.745 30 20 CHED CCCN(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 160541976 GVDQEWXBVSOZPX-INIZCTEOSA-N 285.391 3.615 30 20 CHED C=CCc1cc(CN(C)[C@H](C)C2(C)CC2)c(O)c(OC)c1 164473897 OJDKXCRKCNRDCN-CYBMUJFWSA-N 289.419 3.750 30 20 CHED N#CCCCCNC(=O)Nc1cc(Cl)cc(Cl)c1 170902943 FLFUBKHNMVTLAI-UHFFFAOYSA-N 286.162 3.809 30 20 CHED C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccccn1 171246081 OLZGUWPYNRXZRY-OAHLLOKOSA-N 295.386 3.615 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](C)C(C)C 171932602 VPSNOBVTSWNCKL-OAHLLOKOSA-N 259.393 3.536 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(F)c(Cl)c1 171982637 NKQLKEDHTUMQIW-SNVBAGLBSA-N 254.736 3.824 30 20 CHED CCCCCCCN1CCC(c2nc(C)no2)CC1 172651730 ZZWRWNNMWPTFNC-UHFFFAOYSA-N 265.401 3.528 30 20 CHED C=CCCCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 175153987 GNYIRHUWJADOLK-UHFFFAOYSA-N 283.375 3.784 30 20 CHED CCN(C(=O)c1oc(C)cc1C)[C@H](C)c1ccc(C#N)cc1 175507424 CNDBUJBMTJAVKN-CQSZACIVSA-N 296.370 3.991 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1sc(CC)nc1C 176864479 KWYSUYLXKCDYGR-JQWIXIFHSA-N 295.452 3.681 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(CC#N)c1 176915808 VWJMVKVTAYSRJD-WBVHZDCISA-N 284.403 3.793 30 20 CHED N#Cc1ccc(CNCCc2cccc(Cl)c2)s1 176942021 HZYNSEPHSSBXOV-UHFFFAOYSA-N 276.792 3.605 30 20 CHED N#Cc1cc(F)ccc1COc1ccc(N2CCCC2)cc1 178197536 LUBRWNDUHQRSRL-UHFFFAOYSA-N 296.345 3.877 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCCc1ccccc1 178370573 FVFRQRCMFCIEJK-UHFFFAOYSA-N 278.355 3.828 30 20 CHED C=C[C@@H](CC(=O)N1CCn2cccc2[C@H]1C)c1ccccc1 179444170 AMUYSMMJOPVXMN-CVEARBPZSA-N 294.398 3.751 30 20 CHED C=C(C)CN(C)C(=O)Cc1c(Cl)cccc1Cl 180414766 SJYCSVDXXIGQAV-UHFFFAOYSA-N 272.175 3.570 30 20 CHED COC(=O)CCc1ccc(NCC(C)(C)CCC#N)cc1 181432727 ODWRHEMNSMMWMY-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C=CCC[C@H](C)NCc1nccn1CCCc1ccccc1 185662269 AQQZWAYQMYBRNC-KRWDZBQOSA-N 297.446 3.960 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CCCOCC2)c1 185674871 GHTWLEHFOWJAOA-LLVKDONJSA-N 284.281 3.558 30 20 CHED C=CC[C@H](C(=O)NCc1ccsc1)c1ccccc1 186700180 XYNOIELUQQTCGU-HNNXBMFYSA-N 271.385 3.724 30 20 CHED C=CC[C@H](C(=O)Nc1cccc(O)c1)c1ccccc1 187273923 AEIJSEWMFRLPKY-INIZCTEOSA-N 267.328 3.691 30 20 CHED C=CCC1(C(=O)Nc2nc(C3CC3)cs2)CCC1 189926626 YBWROWSYPWHDDS-UHFFFAOYSA-N 262.378 3.705 30 20 CHED CC(C)C(CNCc1cc(C#N)cs1)C(C)C 191701332 XHVWTMZKJKZQGI-UHFFFAOYSA-N 250.411 3.638 30 20 CHED COc1cc(C(=O)/C=C\c2cc(C)ccc2OC)ccc1O 212890948 ROQZDIPJSWRCMG-SREVYHEPSA-N 298.338 3.614 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccc(N(C)C)cc1 216712496 SNFXFGHRGYPCIJ-FLIBITNWSA-N 295.382 3.966 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1ccccc1C#N 219383298 BOGCLNLKVGBYRV-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C[C@H]1Cc2ccccc2N1Cc1cccc(C#N)c1F 219514395 REJIJIADFOPPGI-LBPRGKRZSA-N 266.319 3.649 30 20 CHED CSCCCCCCNc1nccc(C)c1C#N 230097528 BFHLEAJHLQWFLT-UHFFFAOYSA-N 263.410 3.597 30 20 CHED Cc1ccc(F)cc1OCc1ccc(C#N)cc1F 230402804 CWLQGKYSHTXPEG-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C[C@H]1c2ccsc2CCN1c1nccc(C#N)c1Cl 235364868 ABWIEBPYEFQJKT-VIFPVBQESA-N 289.791 3.792 30 20 CHED N#Cc1ccnc(N2CCC[C@H]3CCCC[C@H]32)c1Cl 236029119 NRTMNMHBIOHORD-DGCLKSJQSA-N 275.783 3.766 30 20 CHED N#Cc1ccnc(N[C@@H]2C[C@@H]2c2ccccc2)c1Cl 236051540 UKMPLFGWLYYSEY-CHWSQXEVSA-N 269.735 3.575 30 20 CHED CC[C@H]1CCCCN1Cc1ccc(O[C@H](C)C#N)cc1 245506945 OVYIZRWHZJODDF-ZBFHGGJFSA-N 272.392 3.742 30 20 CHED CCCN(CCCCC#N)[C@@H]1C[C@@H](OCC)C1(C)C 246838413 CGORNNILHMSDDM-HUUCEWRRSA-N 266.429 3.596 30 20 CHED C[C@H]1CCN(Cc2cc(C#N)n(C)c2)[C@H]1c1cccc(F)c1 248810779 CNDJTCWSOOTVHG-SCLBCKFNSA-N 297.377 3.619 30 20 CHED CCN(CC[C@@H]1CCCO1)[C@H](C)c1ccc(C#N)cc1 248953094 FLBRQBCKFRFRKH-PBHICJAKSA-N 272.392 3.510 30 20 CHED COc1ccccc1/C=C1/Cc2ccc(F)cc2C1=O 255057770 ATPUAKUXZNNLMU-LCYFTJDESA-N 268.287 3.657 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCCOC1CCCC1 255867823 VTPGFLCGPXHOGM-BOPFTXTBSA-N 281.783 3.814 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCC1 264506057 HTZISQNFEWRWMS-LLVKDONJSA-N 274.389 3.677 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(Cl)cc1F)OCC 270104499 HOQGFIDNUBFQPU-ZDUSSCGKSA-N 285.746 3.789 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2csc(Br)c2)C1 274213820 ODOZEFAREVMLRI-KOLCDFICSA-N 299.237 3.683 30 20 CHED C=CCCCCN[C@@H](C)c1cccc(NC(C)=O)c1 274598134 PBPJPUODSCVFCN-ZDUSSCGKSA-N 260.381 3.652 30 20 CHED C=C1CCN(C(=O)C2(Cc3ccccc3Cl)CC2)CC1 275828670 IIFJFPZMQWORDM-UHFFFAOYSA-N 289.806 3.841 30 20 CHED C=CCCN(C)C(=O)Nc1sc(C)nc1CC(C)C 276144587 OUXYEIQDPGAODH-UHFFFAOYSA-N 281.425 3.690 30 20 CHED C=CCCOCCN[C@H]1CCC[C@@H](c2ncccc2C)C1 281502334 GVDHBAAZGKNQCZ-SJORKVTESA-N 288.435 3.599 30 20 CHED CC#CCCCC(=O)N1CC(C)(C)[C@@H]1c1cccs1 288343956 LNZSNHVFDVHMBX-HNNXBMFYSA-N 275.417 3.851 30 20 CHED Cc1csc(NC(=O)[C@@H]2CCCC2(C)C)c1C#N 288687271 CKUFDVAYJYZLSR-NSHDSACASA-N 262.378 3.693 30 20 CHED CC[C@](C)(C#N)c1nc(CSCc2ccccc2)no1 289978865 DDEOUVQNCNPPAY-OAHLLOKOSA-N 287.388 3.694 30 20 CHED C=CC[C@@H](C(=O)N1CCC(F)(F)[C@@H](C)C1)c1ccccc1 290957862 PTNURFQNCOVDRW-DZGCQCFKSA-N 293.357 3.850 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(c2ncc(C)s2)CC1 292259521 GCIDUXNLCPUYTO-UHFFFAOYSA-N 292.448 3.760 30 20 CHED CC[C@H](NCc1occc1C)c1ccc(C#N)cc1 293705113 OPEIWAYFOGEAAX-HNNXBMFYSA-N 254.333 3.701 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1cccc(C2CC2)c1 295419300 CNNBVIPORMEPQQ-AWEZNQCLSA-N 269.388 3.935 30 20 CHED C=C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)O 301020094 NIAMEDPOBVVHMA-QMMMGPOBSA-N 263.145 3.725 30 20 CHED CN(Cc1ccccc1F)c1nc2c(cc1C#N)CCCC2 301080486 JKWYNSYFSUSFBC-UHFFFAOYSA-N 295.361 3.608 30 20 CHED CCOc1ccc2c(c1)CN(c1ccc(C#N)cc1F)CC2 301157573 RZXHKBRTPGGDIA-UHFFFAOYSA-N 296.345 3.659 30 20 CHED N#Cc1ccc(NCc2ccccc2OCC2CC2)cc1 301341059 GEMKOCHGBJHNIY-UHFFFAOYSA-N 278.355 3.959 30 20 CHED CC[C@H](CSc1ccccc1)Nc1ccc(C#N)cn1 301789573 YKYBJNKJEDYAOQ-CQSZACIVSA-N 283.400 3.936 30 20 CHED CCCOc1ccc(CNc2ccc(C#N)cn2)c(C)c1 302672461 LBCIXHBUQKCWOR-UHFFFAOYSA-N 281.359 3.663 30 20 CHED C=CC[C@@H](C)NCc1ccc(OC)cc1Br 304613153 WBZCAMLWECMHFC-SNVBAGLBSA-N 284.197 3.512 30 20 CHED CC(C)C[C@H]1CCN(Cc2cccc(C#N)c2F)C1 307770496 FROBFMMLUABPQY-CYBMUJFWSA-N 260.356 3.565 30 20 CHED CC(C)CON=Cc1cscc1Br 308164797 XALVBLPYYJPMSU-UHFFFAOYSA-N 262.172 3.517 30 20 CHED C[C@@H](Cc1cccs1)N(C)c1nc(Cl)c(C#N)s1 311038987 ORLJXYLLDMKIAT-QMMMGPOBSA-N 297.836 3.797 30 20 CHED Cc1ocnc1C/N=C(/O)[C@@]1(C)CCc2ccccc2C1 329056322 XXKULVSPQAMUOE-KRWDZBQOSA-N 284.359 3.635 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cccc(-c3cnco3)c2)CC(O)=N1 329433052 KZYIRWJMTPQSHP-PWSUYJOCSA-N 299.330 3.685 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2ccc(C3CCC3)cn2)CCC1=O 329444110 KQQDEUNHOHAVEF-YPMHNXCESA-N 286.375 3.942 30 20 CHED O/C(CCc1ncc[nH]1)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329498721 XXNTVCFNHHNYAJ-MELADBBJSA-N 275.396 3.658 30 20 CHED Cc1c(F)ccc2sc(N=C(O)C[C@H]3CCOC3)nc12 329789539 CAIFCVGOGUPKSU-SECBINFHSA-N 294.351 3.758 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)CC1 333411681 KGZOAVBPFUZIND-CKEIUWERSA-N 274.408 3.545 30 20 CHED Cc1cc(N2CCC[C@@H]2c2ccsc2)c(C#N)cn1 335149619 AIMHPRGVKPTMLC-CQSZACIVSA-N 269.373 3.665 30 20 CHED CSc1cccc(C)c1NC(=O)c1ccc(C#N)s1 335906642 NHIIGYUZPVNYGG-UHFFFAOYSA-N 288.397 3.902 30 20 CHED C=CCC[C@@H](O)CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 337514241 KSQAWLAMDTZPBH-GUDVDZBRSA-N 283.415 3.634 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(F)c(C(F)(F)F)cc1F 341791220 PMZNDIBSBKRWAR-SSDOTTSWSA-N 293.235 3.678 30 20 CHED Cc1nsc(NCCCc2c[nH]c3ccccc23)c1C#N 342245153 PSXUTYXXGONBHQ-UHFFFAOYSA-N 296.399 3.849 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2cc(C#N)ccn2)C1 342422022 YMZLMVZOQJVWBY-HOCLYGCPSA-N 277.371 3.644 30 20 CHED C=C(C)CN(CC)C(=O)CSCC/C=C/CC 342737166 NIHPQIQOFWIKMK-BQYQJAHWSA-N 255.427 3.501 30 20 CHED C=CCCN(C)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 342740789 XNWFFMFAAGKBJC-AWEZNQCLSA-N 285.391 3.922 30 20 CHED CCO[C@@H]1C[C@H](NCc2cc(C#N)cs2)C1(CC)CC 344693286 IRWHNIOZYILTKG-LSDHHAIUSA-N 292.448 3.693 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1cnn(Cc2ccccc2)c1 347255858 VIVYFHMHKJUHOM-OAHLLOKOSA-N 296.418 3.522 30 20 CHED CCc1nc(C)c([C@H](C)NCC(C)(C)CCC#N)s1 348211147 DNAOOTBWLFPOAJ-NSHDSACASA-N 279.453 3.995 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCc2ccc(F)cc21 348217506 AIJKGCJXRYXNLM-OAHLLOKOSA-N 260.356 3.733 30 20 CHED N#CCC[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1ccccc1 348395889 LLQVDHKQQVFZMS-IXDOHACOSA-N 254.377 3.810 30 20 CHED Cc1ccc(-c2noc(CSc3ccc(C#N)cc3)n2)o1 350796051 RKCKZQBUKUTUBY-UHFFFAOYSA-N 297.339 3.802 30 20 CHED C=C(C)CCN(C)[C@@H](c1cccc(F)c1)c1cnn(C)c1 352005416 RAEYHRWHVXUEGP-KRWDZBQOSA-N 287.382 3.547 30 20 CHED C=CC[C@@H]1N(CCc2ccncc2)CCCC1(C)C 352367613 AHTOLDZCDGMRGP-INIZCTEOSA-N 258.409 3.691 30 20 CHED C=CCn1cccc1-c1nc(-c2sccc2C)no1 354049406 MTKCUQOHFRTXIR-UHFFFAOYSA-N 271.345 3.761 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCc3c(F)cccc32)CC1 354922582 BCNPVNMUYFJGNR-OAHLLOKOSA-N 273.351 3.676 30 20 CHED C[C@@H]1CCC[C@@H](C)N1C(=O)C[C@@H](CC#N)c1ccccc1 355667708 YKMFRQBPGKJUEA-BFYDXBDKSA-N 284.403 3.863 30 20 CHED C=CCCC1(C(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)CC1 356244430 IFAFWKPJECDDKX-ZIAGYGMSSA-N 281.465 3.865 30 20 CHED C=C(CC)CSc1nnc(C2CC2)n1Cc1ccco1 358558226 VUDNYAZITPBHDJ-UHFFFAOYSA-N 289.404 3.855 30 20 CHED C=CCSc1ccccc1C(=O)N1CCCC[C@@H]1C 362535039 RXVXGVANWGMKDF-ZDUSSCGKSA-N 275.417 3.979 30 20 CHED Cc1ncccc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 362651982 QWFHSSHZKQCOFT-RTBURBONSA-N 291.398 3.662 30 20 CHED CCc1nc2cc(NC(=O)c3ccc(C#N)s3)ccc2o1 362934516 KWZSGVYCERYLRK-UHFFFAOYSA-N 297.339 3.576 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 363194763 XPBDXDMRSIZMCH-KBPBESRZSA-N 298.390 3.588 30 20 CHED CC[C@H]1[C@H](C)CCN1c1nc(C)c(C#N)cc1Cl 384279600 DOHHZWKUKLCJJR-RNCFNFMXSA-N 263.772 3.540 30 20 CHED C=C(CNC1CCC(F)(F)CC1)c1ccccc1 390034205 ZYKKTAPQYAAIJU-UHFFFAOYSA-N 251.320 3.867 30 20 CHED C[C@@H](NCc1ccc(CC#N)cc1)c1ccsc1 399267838 SNYDDEIBYPJVMH-GFCCVEGCSA-N 256.374 3.665 30 20 CHED C=CCN(C(=O)c1cscc1Br)C(C)C 405001151 IFVFSHDZFFMARB-UHFFFAOYSA-N 288.210 3.547 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Cl)cc1F 410135952 HFBXJRBNJOBJFQ-JTQLQIEISA-N 255.720 3.564 30 20 CHED CCC[C@H](C#N)N(C)C(=O)Cc1csc2ccccc12 410829480 QYYAFVYIIRDZDE-CYBMUJFWSA-N 286.400 3.594 30 20 CHED CC(C)[C@@H](C)CC(=O)N1CCCc2cc(C#N)ccc21 410999060 GSCXHPUYHIUADR-ZDUSSCGKSA-N 270.376 3.520 30 20 CHED CC1(C)CN(CCC2(C#N)CCCCC2)CCS1 411322904 DJDIIYKSWIHTMG-UHFFFAOYSA-N 266.454 3.678 30 20 CHED COc1cc([C@@H](C)NCCC2(C#N)CCCCC2)ccn1 411743571 SJEAGGKIHPJYNI-CQSZACIVSA-N 287.407 3.605 30 20 CHED CC[C@H](CNc1nc2ccccn2c1C#N)CC(F)(F)F 413517307 HENOKGCYLHCSQT-JTQLQIEISA-N 296.296 3.596 30 20 CHED COCC1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 414313299 OQPGNVKDPYXBDX-ITXXBFQVSA-N 298.430 3.730 30 20 CHED CO[C@@H](CSc1ccc(C#N)cc1F)CC(C)C 416904335 DMFWQFHDIAOABC-GFCCVEGCSA-N 267.369 3.851 30 20 CHED CC(C)Oc1cc(F)ccc1OCC1(C#N)CCC1 418987976 IJJIBRYPVFDWPT-UHFFFAOYSA-N 263.312 3.686 30 20 CHED N#Cc1ccc(CSCCC2CCOCC2)cc1F 419480344 PZJLMZCGGPYYNC-UHFFFAOYSA-N 279.380 3.747 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CSc2ccccc21 424677744 JGWHDZAMTJXLGE-GFCCVEGCSA-N 261.390 3.552 30 20 CHED N#Cc1c(N2CCCC[C@@H]2c2ccco2)ncc2c1CCC2 425222040 GCOYYEFTJMJQNO-MRXNPFEDSA-N 293.370 3.767 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CCc2c(cccc2OC)C1 426064804 WGACFMQROSFFOR-GOEBONIOSA-N 273.420 3.887 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(F)c1F 426200507 XMQOUAVFAPSKCP-RYUDHWBXSA-N 294.345 3.776 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cscc1C 426265761 IETBOUGMYVHXGE-UHFFFAOYSA-N 280.437 3.944 30 20 CHED CC1(C)CCCc2cc(C#N)c(NCc3ccoc3)nc21 428099375 BFASCQWCPOVOJR-UHFFFAOYSA-N 281.359 3.772 30 20 CHED C=C(CC)CN1CCC(c2ncccc2Cl)CC1 429207127 WVXSIQFITGTIKN-UHFFFAOYSA-N 264.800 3.881 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)s2)c1C 430107008 SGKPZIULLGIXNI-UHFFFAOYSA-N 270.401 3.869 30 20 CHED C=CCN(C(=O)C1Cc2ccccc2C1)c1ccccc1 432715932 GWEHKZAZRPKQAA-UHFFFAOYSA-N 277.367 3.621 30 20 CHED Cc1cccc([C@@H](C)C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 434034251 CDMZSKQQFKQOJM-GDBMZVCRSA-N 284.403 3.639 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)c(O)c1 436660290 SDXQKNVQRXDGRX-UHFFFAOYSA-N 294.354 3.834 30 20 CHED C=CCOc1cccc(NC(=O)NCC2(C(C)C)CC2)c1 440335786 FSVMBLYIWBSYDD-UHFFFAOYSA-N 288.391 3.809 30 20 CHED C=CCCC[C@@H](C)N1CCO[C@@]2(C[C@H]3CC[C@H]2C3)C1 440559656 RAYMYJRLVKYJJC-QZWWFDLISA-N 263.425 3.622 30 20 CHED C[C@H]1CN(CCCCC(C)(C)C#N)c2ccccc2O1 444643893 WNCINPXXMWFTFW-AWEZNQCLSA-N 272.392 3.994 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H]1CCCC[C@@H]1C 444681168 YOFZSXWIVZRSQS-BBRMVZONSA-N 272.392 3.577 30 20 CHED C=CCNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 445581263 ADJVNBZJJYHNEZ-OAHLLOKOSA-N 276.355 3.542 30 20 CHED N#Cc1c(F)cccc1N1CCCC2(CCCC2)C1 445658990 CERFSEREKHMNFP-UHFFFAOYSA-N 258.340 3.858 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(Cn2cncn2)cc1 449078476 XWJBGSIKDBXXSK-INIZCTEOSA-N 298.434 3.551 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 449898047 OJDIPRLPXHYCJT-BXUZGUMPSA-N 295.810 3.744 30 20 CHED C=CCC1(C(=O)NCc2nc(C3CC3)cs2)CCCC1 450148811 REUSQFXIWDVNGE-UHFFFAOYSA-N 290.432 3.773 30 20 CHED COC1(CSc2ccc(C#N)cc2Cl)CCC1 450865243 INBURWWEJMJGAL-UHFFFAOYSA-N 267.781 3.873 30 20 CHED C=CCC1(C(=O)NCC(C)(C)CCC#N)CCCCC1 451778836 UBOFKVIDHZRXMQ-UHFFFAOYSA-N 276.424 3.959 30 20 CHED C=C(C)CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 452716912 JOITVQWRWRQPNR-MNOVXSKESA-N 281.758 3.665 30 20 CHED C=C(C)CCNC(=O)CCc1ccc2ccccc2c1 452723928 OWRLQXXVURWGPE-UHFFFAOYSA-N 267.372 3.855 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](CC)Sc1ccccc1 452778862 ZUBZRXSRSPWOBI-CQSZACIVSA-N 277.433 3.886 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CC(C)(C)Cc2occc21 453371347 VTKRTEWTZDZXPA-KFWWJZLASA-N 275.392 3.616 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1ccccc1C 455312298 OQOIJZQSOFMVHO-INIZCTEOSA-N 272.392 3.808 30 20 CHED C=C(C)CCNC(=O)N(CCC)Cc1ccc(F)cc1 455316230 VPZBGPDYRPOBOW-UHFFFAOYSA-N 278.371 3.714 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cnc2ccccc2c1 457538023 WYLVNYIRMKNXKM-UHFFFAOYSA-N 295.386 3.637 30 20 CHED CC#CCCNC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 458653837 KVDSWZVIAHJDLG-KRWDZBQOSA-N 296.414 3.727 30 20 CHED C=C[C@@H](CC(=O)N1CC2(CCC2(F)F)C1)c1ccccc1 461267781 DFXBJHDWRYTLMB-ZDUSSCGKSA-N 291.341 3.604 30 20 CHED CC#CCCN(C)[C@@H](C)c1ccccc1Br 462327970 ZSZJRLQESRWAFS-LBPRGKRZSA-N 280.209 3.855 30 20 CHED C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(C#N)cc1 463438784 ZYJCGYWDPKJJEV-CYBMUJFWSA-N 296.345 3.905 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(OCCC(C)C)c1 465245215 UTKFTUHZFWQIMY-CYBMUJFWSA-N 276.380 3.808 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCC2(CCCC2)C1 466401202 HTTLQBQYPKBVTP-CQSZACIVSA-N 264.413 3.707 30 20 CHED C=CCCCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 468373352 RFPLKWVXMGGYCO-YIYPIFLZSA-N 273.376 3.589 30 20 CHED Cc1ccc(=NCc2cc(Cl)sc2Cl)[nH]c1C#N 469107788 UZJKTMIDWKRBHR-UHFFFAOYSA-N 298.198 3.664 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)CCC1CC1 469386687 RPQYRCWXQFMZKB-QWHCGFSZSA-N 252.402 3.609 30 20 CHED C=CCCCCNC(=O)c1cc2cc(C)ccc2o1 471716383 WNWSEEIRRZZFRY-UHFFFAOYSA-N 257.333 3.827 30 20 CHED C=CCCCCN[C@@H](C(=O)OC)c1cccc(Cl)c1 471877732 OLCIZJUXSMWEBR-CQSZACIVSA-N 281.783 3.500 30 20 CHED C=CCSCCNCc1cc2c(C)c(C)ccc2[nH]1 472039619 VKZCSJHUBNXIEO-UHFFFAOYSA-N 274.433 3.794 30 20 CHED CC(C)CC[C@H](NCc1cc(C#N)n(C)c1)C(C)(C)C 480367916 TYUSMRMSCSPEPI-INIZCTEOSA-N 275.440 3.837 30 20 CHED CC#CCCNC(=O)N(CC)Cc1ccc2ccccc2c1 483422988 ZABVUEWEWHKUMI-UHFFFAOYSA-N 294.398 3.785 30 20 CHED CC(C)[C@H](CC(=O)N[C@@]1(C#N)CC1(C)C)c1ccccc1 484904192 BJLVGYYBDOBYQT-MAUKXSAKSA-N 284.403 3.625 30 20 CHED Cc1nc(N2CCC(c3ccccc3)CC2)ccc1C#N 487924594 VJSIEZFEACRFMU-UHFFFAOYSA-N 277.371 3.646 30 20 CHED C=CCCCCCN1CCC[C@H](N2CCCC2)CC1 488444822 XCTAQHLBECXSRP-KRWDZBQOSA-N 264.457 3.683 30 20 CHED C=C(C)CNC(=O)N[C@@H](CC1CCC1)c1ccccc1 488548689 VHQFCXLTFSSILR-INIZCTEOSA-N 272.392 3.793 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1Cc1ccccc1 488575546 LGEXBEMKZAUUKR-KRWDZBQOSA-N 294.398 3.521 30 20 CHED C=CCC[C@@H](C(=O)N1CCC(C)(C)C1)c1ccccc1 489959698 YSDUPXXIKHOJGZ-MRXNPFEDSA-N 271.404 3.995 30 20 CHED C=CCn1cccc1C(=O)N(CC)[C@H]1CCCC[C@@H]1C 489996979 YROHOKUBNMIMCU-GJZGRUSLSA-N 274.408 3.715 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccccc1OC(F)F 490006253 RNBZCPRBQJBPKN-UHFFFAOYSA-N 283.318 3.620 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 497189996 ATWMNWIMWAUFFP-CYBMUJFWSA-N 261.365 3.730 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C)c(OC(F)F)c(C)c1 502888318 QXZBRYQDVJWILU-UHFFFAOYSA-N 295.329 3.719 30 20 CHED C[C@H](CC(=O)NC1(C#N)CCCCC1)C1CCCCC1 504567513 DNUGCARVZYQPMS-CQSZACIVSA-N 276.424 3.936 30 20 CHED C=CCSCCNC(=O)N(CC(C)C)CC(C)(C)C 509216885 HCZCZSKSXWKLMU-UHFFFAOYSA-N 286.485 3.619 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1coc(CCC)n1 509475080 GGQIFBBZMPLUMK-UHFFFAOYSA-N 290.407 3.836 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1ccc(Cl)cc1C#N 511411726 BWSATOKGODDKMI-ZWNOBZJWSA-N 264.756 3.581 30 20 CHED C=CCC[C@@H](C(=O)Nc1ccnn1CC)c1ccccc1 513571127 FYFBVHXHMPGXJV-OAHLLOKOSA-N 283.375 3.592 30 20 CHED Cc1ccc2c(c1)CN(C(=O)Nc1scc(C)c1C#N)C2 516660344 WZKCHPOXYFASBG-UHFFFAOYSA-N 297.383 3.784 30 20 CHED C=CCCOCCNC(=O)[C@H](CC1CCCC1)C(C)C 533857619 BTQCCZPCXRDNHL-MRXNPFEDSA-N 281.440 3.548 30 20 CHED C=CC1CCN(Cc2nc3ccccc3n2CCC)CC1 536673133 TUZFAMKXMVGTSX-UHFFFAOYSA-N 283.419 3.844 30 20 CHED CC(C)(NCCOc1cccc(C#N)c1)c1cccc(F)c1 537086751 JXRGBFUMQYRPCS-UHFFFAOYSA-N 298.361 3.601 30 20 CHED C=CCOc1cccc(CN2[C@H]3CCC[C@H]2CC3)c1 537623353 DQFLVUFLJDFFDE-HOTGVXAUSA-N 257.377 3.768 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCc2ccc(F)cc21 539390230 CNDDZXAFUURHLS-BLLLJJGKSA-N 290.382 3.857 30 20 CHED N#Cc1cccc(OCCN[C@@H](c2cccs2)C2CC2)c1 540466269 AYVQCFQXQLRBMF-QGZVFWFLSA-N 298.411 3.739 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC(C)(C)c1cccc(F)c1 544009888 UQVJTHSJOZGFCT-OAHLLOKOSA-N 292.398 3.757 30 20 CHED C=CCN(C(=O)CCCCC(=O)c1ccc(C)cc1)C1CC1 544783457 YDLYABIPDKBHSL-UHFFFAOYSA-N 299.414 3.915 30 20 CHED Cc1ccccc1CCC(=O)N[C@@](C)(C#N)C1CCCCC1 550350113 LCPGCALRFMBTIC-IBGZPJMESA-N 298.430 3.906 30 20 CHED N#Cc1cccc(C2(NC3CCCCCC3)CC2)c1 551812671 PIRHQEJZASZVGT-UHFFFAOYSA-N 254.377 3.860 30 20 CHED C[C@H](NCC#Cc1cccc(Cl)c1)c1ccc(C#N)cc1 554849209 WEMUNMMBSTZQNF-AWEZNQCLSA-N 294.785 3.914 30 20 CHED C=CCC(C)(C)CNC1CCN(C2CCCC2)CC1 556214318 ABZQCTPARWULMJ-UHFFFAOYSA-N 264.457 3.585 30 20 CHED CN(c1nccc(C#N)c1Cl)[C@H]1CCc2ccccc2C1 557599953 ZNMUSMUJLDZHGO-HNNXBMFYSA-N 297.789 3.600 30 20 CHED C=CCC[C@H](N[C@@H](CO)Cc1ccccc1C)c1ccco1 560549077 LYWPFJYIYKBAJE-MSOLQXFVSA-N 299.414 3.789 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 565818442 XHDSBMSNYHFQBV-QMTHXVAHSA-N 298.308 3.774 30 20 CHED CC1=C[C@@H](C)C[C@@H](CNCCc2cccc(C#N)c2)C1 569175484 NBAHVWQNQNJRNG-RDTXWAMCSA-N 268.404 3.683 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@H](N)C1)c1ccccc1 573235142 MAYBCYNEWZTZDA-BBWFWOEESA-N 258.409 3.553 30 20 CHED COc1cccc(Cl)c1COc1cccc(C#N)c1 573342251 DQXMGLUJBGZMJS-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC[C@@H](C#N)CCC#N)CC1 578642441 HARXXCLWICQXSQ-OAGGEKHMSA-N 261.413 3.624 30 20 CHED CC[C@]1(C)CCN(C(=O)Nc2scc(C)c2C#N)C1 581079413 FDLPRDABCSDSKG-CQSZACIVSA-N 277.393 3.582 30 20 CHED Cc1csc(NC(=O)N(CC2CC2)CC2CC2)c1C#N 582973468 ZZJISQZUSMXHBX-UHFFFAOYSA-N 289.404 3.582 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 583052494 BQQTXXRIBKTAAJ-UONOGXRCSA-N 290.455 3.678 30 20 CHED C[C@@H]1CN(c2cc(C#N)ccn2)CC[C@H]1c1ccccc1 583951776 QEVGXCRGPFKYNC-RHSMWYFYSA-N 277.371 3.583 30 20 CHED N#Cc1cnccc1/C=C/c1ccc2cnccc2c1 585818722 HKEPTSKQEAORKS-HNQUOIGGSA-N 257.296 3.672 30 20 CHED Cc1ccc([C@H]2CCCCN2c2nc(C)cc(C#N)n2)cc1 587992501 PKVXIQYCOSQQAJ-QGZVFWFLSA-N 292.386 3.697 30 20 CHED COc1cccc(/C=C\C(=O)c2ccsc2)c1F 588619081 JAUXTIHOTLHYJX-WAYWQWQTSA-N 262.305 3.792 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccccc31)CC2 589337162 MMASQYGYXSWGCZ-MOPGFXCFSA-N 274.367 3.823 30 20 CHED Cc1ccc(C[C@@H](C#N)SCc2cccnc2)cc1 592353858 LYRWVFZHOBJIDH-INIZCTEOSA-N 268.385 3.758 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1Cl 594168085 GKVVXMKNXQNWMU-UHFFFAOYSA-N 262.740 3.671 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCc1c(Cl)cccc1Cl 594280889 PNZDXIJDPYCSDD-SNVBAGLBSA-N 299.201 3.687 30 20 CHED COCc1csc(CN[C@H]2CCc3cc(C#N)ccc32)c1 594939511 RKCVPJBEVSOPLN-KRWDZBQOSA-N 298.411 3.543 30 20 CHED N#CC[C@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 595529662 SQWZCIKYDXEQGL-MRXNPFEDSA-N 291.439 3.682 30 20 CHED C[C@H](c1c(F)cccc1F)N1CCC[C@@H](CC#N)C1 595611235 ICQMHMLEWSRZEZ-NEPJUHHUSA-N 264.319 3.651 30 20 CHED CC(C)C[C@H](C(=O)NCCCC#N)c1ccc(Cl)cc1 597495351 QUWUTYQHBSSDAG-HNNXBMFYSA-N 292.810 3.890 30 20 CHED C=CCCSCCNC(=O)CCCc1ccc(C)s1 597968685 YTEPTTPPLCOKNF-UHFFFAOYSA-N 297.489 3.805 30 20 CHED Cc1ccc(CCCCC(=O)N(C2CC2)[C@H](C)C#N)cc1 598128911 DFQODONPGNYJDV-OAHLLOKOSA-N 284.403 3.611 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@H](C2CCCCC2)C1 598470804 SMKXWUZOSKXZKN-DOTOQJQBSA-N 276.424 3.745 30 20 CHED CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(Cl)c1 598603088 RWHFKGQVRFYJKC-HUUCEWRRSA-N 294.826 3.681 30 20 CHED C[C@@H](CCC#N)CNCCOc1cccc2ccccc12 602519431 YGWDKSFRRJSKIP-HNNXBMFYSA-N 282.387 3.748 30 20 CHED CNc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 602549595 IAZVZVLMLWGGNN-UHFFFAOYSA-N 271.364 3.531 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccco1 610492329 DRNXKYVMXPFMRE-LBPRGKRZSA-N 297.358 3.715 30 20 CHED N#CCc1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1 611147312 JIXGPJYMFZJIOY-UHFFFAOYSA-N 282.387 3.690 30 20 CHED CC(C)Cc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1 612238185 QMFZFIMKZLAZOF-GOSISDBHSA-N 284.403 3.651 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 615475059 FHVIUTSQURWJRR-CKEIUWERSA-N 299.418 3.887 30 20 CHED C[C@H](CCNC(=O)N1CCC[C@](C)(C#N)C1)CC(C)(C)C 615477834 HGCMPSQJDJHZHL-RHSMWYFYSA-N 293.455 3.784 30 20 CHED Cc1ccc2ccccc2c1CN1CC[C@](F)(C#N)C1 615637329 AIUDRKGQNABZSP-KRWDZBQOSA-N 268.335 3.586 30 20 CHED C=CC(C)(C)CNC(=O)C1(C(F)(F)F)CCCCC1 615831870 UEOOBTZCLJULJC-UHFFFAOYSA-N 277.330 3.828 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 617779746 IHEHCHGJWCTCQW-KBRIMQKVSA-N 287.378 3.744 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cnc3ccc(F)cc3c2)C1 617781692 RRHMLIPCUYDUAG-ZDUSSCGKSA-N 298.361 3.802 30 20 CHED Cc1ccccc1CN[C@H]1CCc2cc(C#N)ccc21 618741561 GGPXGTVGLGFSBD-SFHVURJKSA-N 262.356 3.644 30 20 CHED C[C@H](Cc1ccccc1F)N[C@@H]1CCc2cc(C#N)ccc21 618806938 SMJPWDIUCGNFSD-BFUOFWGJSA-N 294.373 3.905 30 20 CHED CC[C@@H](CC(=O)NCc1ccc(C#N)c(Cl)c1)C(C)C 619765968 LYYHVQTVACCFFM-ZDUSSCGKSA-N 292.810 3.900 30 20 CHED C=CCC1(NC(=O)Nc2cccc(N)c2C)CCCCC1 625909153 HXTYDBXLBPGJTH-UHFFFAOYSA-N 287.407 3.978 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 631655161 OCODZCAWEBMFAS-LYRGGWFBSA-N 281.346 3.739 30 20 CHED C=CCC[C@H](CC)N[C@H](C)c1ccc2nc(O)oc2c1 631738002 ZPKRKRQVZLGEKQ-YPMHNXCESA-N 274.364 3.929 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@H](C)Cn1ccnc1C 657868645 CHUQWCRAEKVZGW-USXIJHARSA-N 275.440 3.552 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1nccn1CC 658029987 UTTOCBCWADZKRH-KFWWJZLASA-N 261.413 3.689 30 20 CHED C=CCCCCCN1CC[C@H](c2ccccc2)[C@H](CO)C1 661665570 IOTWXIXBMUXVNY-RBUKOAKNSA-N 287.447 3.831 30 20 CHED C=CCC1(NCc2nc(C)c(C)s2)CCCC1 661864285 OKAADAAVFFZTIN-UHFFFAOYSA-N 250.411 3.738 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](CC)CC(F)(F)F 664667922 BQVXJCJAGPZIAL-JTQLQIEISA-N 280.334 3.761 30 20 CHED C=CCN(C)C(=O)Nc1cccc(C#Cc2cccs2)c1 681768714 NAZJIXDAQMWOQE-UHFFFAOYSA-N 296.395 3.798 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccccc2COC)no1 685255749 GRPRWTAKXNNPOX-INIZCTEOSA-N 272.348 3.737 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 695714758 WPDMMSMQQDKPRI-IMRBUKKESA-N 274.751 3.586 30 20 CHED CCCCCCCNC(=O)c1ccc(N)cc1Cl 703752623 ICYXATWJVCDRLA-UHFFFAOYSA-N 268.788 3.622 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2CCC3(CC2)CC3)c1 720336756 ZYBPFELFLOWTGY-UHFFFAOYSA-N 272.323 3.606 30 20 CHED CC(=NNC(=S)Nc1ccc(OC(C)C)cc1)C(C)C 727257792 DXCMGVJABOLNLW-UHFFFAOYSA-N 293.436 3.792 30 20 CHED CCc1ccc([C@@H](C)C(=O)Oc2ccc(C#N)cc2)cc1 727704078 CAKABNFHVVTHLA-CYBMUJFWSA-N 279.339 3.830 30 20 CHED C#Cc1cccc(N(CC)C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 728448010 ZLXCWGSVBGGMOG-YQQAZPJKSA-N 298.455 3.557 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H](C)CC(C)C)c1 728481439 FZNQCNCESIFRHL-AWEZNQCLSA-N 257.377 3.703 30 20 CHED C=CCCOC(=O)COc1ccccc1[C@@H](C)CC 729072806 XEFLCLKKBNEKND-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED CC(=NNCCCc1ccccc1)c1ccccc1 729148117 OUGMRNPJSVBSRP-UHFFFAOYSA-N 252.361 3.633 30 20 CHED Cc1cccc2c1CCN(Cc1cc(C#N)ccc1F)C2 729480083 XJHRQGMTZKSJFU-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CC(Cc1ccsc1)=NNc1cc([N+](=O)[O-])ccc1C 729639016 QSBSFLUZNBMOAG-UHFFFAOYSA-N 289.360 3.995 30 20 CHED C=CCOCC(=O)Oc1ccc([C@H](C)c2ccccc2)cc1 729656222 UZZOIXRZPCRHTH-OAHLLOKOSA-N 296.366 3.946 30 20 CHED C[C@@H](NN=Cc1ccnc2ccccc12)c1ccccc1 731313801 LWRFKRIEKTYPMR-CQSZACIVSA-N 275.355 3.920 30 20 CHED Cc1ccc(/C=C2\COc3ccc(F)cc3C2=O)s1 731565489 QTOJQDBRQOZGCF-UXBLZVDNSA-N 274.316 3.854 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccccc2[N+](=O)[O-])o1 732761776 KNJLSKVUSTYMDZ-PWSUYJOCSA-N 285.303 3.757 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H](C)C(C)(C)C)cc1 734511121 YKOUPZUIFGKBDE-UONOGXRCSA-N 274.408 3.749 30 20 CHED CC(=NNc1cccnn1)c1cc(Cl)ccc1Cl 735974737 NGOZRAJERMJRLE-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C[C@H](Sc1ncccc1C(=O)O)c1ccc(C#N)cc1 736716007 XLDNTZZOIJXMGW-JTQLQIEISA-N 284.340 3.505 30 20 CHED CC(C)CC(=NNc1ncccn1)c1ccc(Cl)cc1 740760919 QEVOEYAHXANUCR-UHFFFAOYSA-N 288.782 3.992 30 20 CHED Cc1ccc([C@@H](O)C/N=C\c2c(O)ccc3ccccc23)o1 741165027 DPGNAZFWSHWAES-KCBNLNMNSA-N 295.338 3.599 30 20 CHED C#CCN(CC)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 741913529 NHURJQVANRWGIO-KBPBESRZSA-N 296.197 3.579 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)c1ccncc1 742076529 OKOHYZDCTUKSPE-CXAGYDPISA-N 298.361 3.758 30 20 CHED CCCCCCC(=O)N[C@@H](C)c1cccc(C#N)c1 743778137 GEPXPRKRAOVRFI-ZDUSSCGKSA-N 258.365 3.706 30 20 CHED C=CCN(C(=O)NC[C@H](C)Sc1ccccc1)C(C)C 745901266 DWRAVBRZKJJKBI-AWEZNQCLSA-N 292.448 3.773 30 20 CHED C=CCCCC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 748543205 YTOIFHBBLMFUNF-UHFFFAOYSA-N 282.727 3.851 30 20 CHED CCCCSCC(=O)N[C@H](CCC#N)c1ccccc1 749034558 JCUGRCRJVNJLIV-OAHLLOKOSA-N 290.432 3.681 30 20 CHED C#CCSCCNCc1cc2cc(C)c(C)cc2o1 749285018 GXZWOLHKHAIXRU-UHFFFAOYSA-N 273.401 3.506 30 20 CHED C=CCCC(CC)=NNC(=S)NC1CCCCC1 750918818 PMSYSHNXYPMQMD-UHFFFAOYSA-N 267.442 3.515 30 20 CHED C#C[C@@H](CC)NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 753266224 ZPJJFMJAWNDJFD-YJBOKZPZSA-N 298.430 3.971 30 20 CHED C#CC(=O)N[C@@H](c1ccc([C@H](C)CC)cc1)C(C)C 753918151 XBZZJTWIVYBHGP-CXAGYDPISA-N 257.377 3.647 30 20 CHED Cc1cccc(C)c1/C=C/C(=O)c1ccc(C(=O)O)s1 755585482 UPGDYDIGFMFPEZ-VOTSOKGWSA-N 286.352 3.959 30 20 CHED C=CCCC(C)=NNc1ccc(Cl)c(C(=O)O)c1 758068634 ILVVAXAKNXULFX-UHFFFAOYSA-N 266.728 3.792 30 20 CHED Fc1ccccc1C=NOCCCOCc1ccccc1 758763319 HVAFJNKWXPBJJX-UHFFFAOYSA-N 287.334 3.783 30 20 CHED Fc1ccc(C=NNc2ccccc2)c2ncccc12 759180062 VXXLXNBVOBXYAM-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CC(C)Oc1ccc(N(C)Cc2cccc(C#N)c2)cc1 759934521 XJKMGSSWTSCSET-UHFFFAOYSA-N 280.371 3.982 30 20 CHED CCCCc1ccc(C(C)=NNc2ncc(F)cn2)cc1 760253002 BJGOYRXHRULBDR-UHFFFAOYSA-N 286.354 3.794 30 20 CHED CCCCCC[C@@H]1CCCC1=NNc1cnn(C)c1 761868024 UQVYUOBOGWJDKL-CYBMUJFWSA-N 262.401 3.959 30 20 CHED C#CCN(CC)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 763101963 WRLDVHFQHFJGIX-GOSISDBHSA-N 298.430 3.852 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2ccsc2Cl)c1 766491186 NGIXDSRDMBZVTK-IHWYPQMZSA-N 296.731 3.677 30 20 CHED C=CCOC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 766618018 HYQUWNGDZYJWSC-HUUCEWRRSA-N 268.397 3.871 30 20 CHED C#CCCCNc1cccc(Oc2ccccn2)c1 766729503 QAFWMDDSYGWSTG-UHFFFAOYSA-N 252.317 3.699 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 767079244 OMJPBJBVBBSKOT-GWCFXTLKSA-N 293.769 3.501 30 20 CHED CCCCC[C@H](C)CC(=O)OCC1(C#N)CCC1 768079677 YYMIMPOUTARVKA-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED Cc1ccc(CCCCC(=O)OCC2(C#N)CCC2)cc1 768104934 INIZXLAWOVHQFT-UHFFFAOYSA-N 285.387 3.945 30 20 CHED C#CCCN(Cc1cc(Cl)ccc1F)CC(F)(F)F 768534356 NVSYNMMRNGLXPC-UHFFFAOYSA-N 293.691 3.867 30 20 CHED C[C@@H](CCC1CC1)NCc1ccc(O[C@H](C)C#N)cc1 768952149 KXSQYEDJOKRNPB-UONOGXRCSA-N 272.392 3.646 30 20 CHED C#CCN(CC)Cc1ccc(-c2ccccc2OC)cc1 769111980 UVWIGPQYWPVBAU-UHFFFAOYSA-N 279.383 3.817 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2cscc2Cl)ccc1F 769831348 ZRAUXYGYVNKYGI-UHFFFAOYSA-N 299.714 3.895 30 20 CHED CC(C)C(NCc1ccc(O[C@H](C)C#N)cc1)C(C)C 769928174 NCOIXSHXLIJJLN-CQSZACIVSA-N 274.408 3.748 30 20 CHED CCCCCCCCc1nc([C@H]2CCCOC2)no1 771603916 XGXDAEGGIILGQY-ZDUSSCGKSA-N 266.385 3.867 30 20 CHED C=CCC[C@H](C)OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 772780687 MMHMOJDEWNPHHZ-JTQLQIEISA-N 288.303 3.588 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)cc1 772801946 JAIPRBBATMAHMN-CMDGGOBGSA-N 265.287 3.902 30 20 CHED C=C(Cl)CN[C@H](COC)c1cccc(C(F)(F)F)c1 773005832 UNJDJZCTLKOGKE-GFCCVEGCSA-N 293.716 3.735 30 20 CHED C#CCCCCC(=O)N(CC)c1ccc(Cl)cc1 773234723 VRIRSANMILVQOI-UHFFFAOYSA-N 263.768 3.887 30 20 CHED C=C(CC)CN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 773430646 PHRSEGKILXHNNA-CQSZACIVSA-N 296.455 3.578 30 20 CHED C[C@H](OC(=O)[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 774144284 ITYKAFUHNSMADN-WFASDCNBSA-N 271.360 3.989 30 20 CHED CC(CSC(C)(C)C)=NN[C@H]1C[C@H]2CC[C@H]1C2 774597173 OVOVLAIGJWXQGA-AVGNSLFASA-N 254.443 3.672 30 20 CHED C#CC[C@H](NC(=O)[C@H]1C[C@@]1(C)C(C)C)c1ccccc1 775458261 AUDSPOGDINXWOC-RYRKJORJSA-N 269.388 3.549 30 20 CHED C#Cc1cccc(NC(=O)Nc2cc(C)n([C@H](C)CC)n2)c1 775472983 KYIYJWPRIFETBO-GFCCVEGCSA-N 296.374 3.788 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1)c1cscn1 776193443 YVXVPDLHHVBOJU-RQOWECAXSA-N 267.712 3.832 30 20 CHED CC(C)(C#N)CCOC(=O)c1c[nH]nc1C1CCCCC1 776382690 BGDZSSJDASNFPT-UHFFFAOYSA-N 289.379 3.554 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(N(C)C)cc1 776801376 WWFGTBSHUNIEMY-HNNXBMFYSA-N 293.414 3.784 30 20 CHED C[C@H]1CCC[C@@H](COC(=O)Cc2ccccc2CC#N)C1 777164163 LNQIVLCVTNKLPZ-LSDHHAIUSA-N 285.387 3.665 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cc(Cl)ccn1 777906492 BGNXQOIIEJKCDQ-UHFFFAOYSA-N 271.751 3.806 30 20 CHED C#CCCCCCC(=O)O[C@@H](C)c1nc2ccccc2n1C 779967975 MYMQRCKSBSVGLN-AWEZNQCLSA-N 298.386 3.761 30 20 CHED C#CCCCCCC(=O)Nc1cc(F)ccc1OC(F)F 779981592 FCZHBGBRSLWWEB-UHFFFAOYSA-N 299.292 3.949 30 20 CHED Fc1cccc(C2CC(=NN[C@@H]3C[C@H]4CC[C@H]3C4)C2)c1 781594855 JJVJCJLXVFNQJW-TUJXTFBESA-N 272.367 3.837 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)s1)c1ccc(Cl)cn1 781606721 QGEXOAXBEVLTKX-QMMMGPOBSA-N 292.747 3.586 30 20 CHED C#CCCN(Cc1ccc(Cl)cc1F)CC(F)(F)F 781917579 LYSOMLWWGIVRDE-UHFFFAOYSA-N 293.691 3.867 30 20 CHED CCCCC[C@H](CC)C(=O)N1CCC(CC#N)CC1 782052503 DGZFSDNWRBWFPZ-HNNXBMFYSA-N 264.413 3.745 30 20 CHED Cc1cccc2c1C/C(=C\c1cc(C(=O)O)cs1)C2=O 782200558 MTWWKBZLCLLWLZ-BJMVGYQFSA-N 284.336 3.577 30 20 CHED Fc1ccc(F)c(CNN=Cc2sccc2Cl)c1 782206013 OBRFRWKJZWMXNS-UHFFFAOYSA-N 286.734 3.803 30 20 CHED CO[C@@H](C(C)=NNc1ncccc1C)c1ccccc1 782284733 ISNWDIGBBQVVCB-HNNXBMFYSA-N 269.348 3.566 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2scnc2C2CC2)cc1 782306191 LSXPSIIGPOGAJY-KTKRTIGZSA-N 298.411 3.983 30 20 CHED CC(C)(C#N)CCCOC(=O)C[C@H]1CCc2ccccc21 783684598 XFTISBKZKMCWFS-OAHLLOKOSA-N 285.387 3.980 30 20 CHED C[C@@H](C(=O)OCCCC(C)(C)C#N)C1CCCC1 784016942 SAALFGQZVHFHLY-GFCCVEGCSA-N 251.370 3.686 30 20 CHED C=CCCCCCOC(=O)[C@H]1CCO[C@@H](CCC)C1 784607974 APRGIOCTQXRMEX-GJZGRUSLSA-N 268.397 3.871 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1nc([C@H](C)SCC)no1 785759448 LGZAOCGHHCKBHF-IINYFYTJSA-N 298.408 3.529 30 20 CHED COc1ccc(Cl)cc1C=NNC1CCCCC1 786042072 JKRJYRHZWQJWPN-UHFFFAOYSA-N 266.772 3.605 30 20 CHED N#CCCNC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 787348943 AIHNOPXIFNVOTC-WFTPILKQSA-N 297.402 3.568 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCc3cc(F)ccc32)CCCCC1 788173735 GFXPOIHKMRCINS-QGZVFWFLSA-N 299.389 3.903 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cc2ccccc2[nH]1 788407037 DVVNDLPCSNPJBE-UHFFFAOYSA-N 280.287 3.522 30 20 CHED C#CCSc1ccc(COC(=O)CSC(C)C)cc1 788417557 VXBDCJJATAZSCV-UHFFFAOYSA-N 294.441 3.597 30 20 CHED N#CC[C@@H](CC(=O)Oc1ccccc1F)c1ccccc1 792864678 JCWPDIOVDFAFOA-AWEZNQCLSA-N 283.302 3.819 30 20 CHED C[C@H](NN=Cc1nccc2ccccc12)C(C)(C)C 793114697 MWURGJYRMQKGLV-LBPRGKRZSA-N 255.365 3.593 30 20 CHED C[C@@H](NN=Cc1cccc2cccnc12)C(C)(C)C 793115096 KIFNDJAJYODORH-GFCCVEGCSA-N 255.365 3.593 30 20 CHED C#CC[C@@H](OC(=O)[C@@H]1CCC(=O)c2ccccc21)C(C)(C)C 793210873 XSQVTYGGGYLNQR-NVXWUHKLSA-N 298.382 3.728 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 794342615 QZFWLIQJVMYBIK-QXPKXGMISA-N 296.414 3.856 30 20 CHED Cc1ccc(COC(=O)C[C@@H](CC#N)c2ccccc2)nc1 795981386 ITXBJVREFAMAID-MRXNPFEDSA-N 294.354 3.521 30 20 CHED C=CCC(C)(C)C(=O)OCc1noc(C2CCCCC2)n1 796461545 LGCKJCGIWFWBJU-UHFFFAOYSA-N 292.379 3.763 30 20 CHED C=CCC(C)(C)C(=O)OCCCCC(C)(C)C#N 796462083 WDHIBEKTODPFPI-UHFFFAOYSA-N 251.370 3.852 30 20 CHED C#CCCCCN[C@@H](C)CCc1ccc(F)cc1F 796833363 JEJGKXNVZAUGMG-ZDUSSCGKSA-N 265.347 3.679 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2OC(=O)c1ccc(C#N)o1 797012452 KVQSLXBXWVHMEL-IAQYHMDHSA-N 281.311 3.865 30 20 CHED Cc1ccc(C)c(NC(=O)c2ccc(C)c(C#N)c2)c1 799293226 UZKXJAGGMIFNIM-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CCCN(C(=O)c1ccc(C)c(C#N)c1)C(C)(C)C 799347212 RCDOIWCNYGAMPS-UHFFFAOYSA-N 258.365 3.517 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1coc(C(C)C)n1 799485537 RBIQMVBMARLQPK-UHFFFAOYSA-N 283.335 3.510 30 20 CHED C[C@H](C#N)OCCN(C)c1ccccc1Oc1ccccc1 801931742 OAEHCWPIYFAHAR-OAHLLOKOSA-N 296.370 3.844 30 20 CHED C#C[C@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1F 804420707 DJQIGEWLVKEBGQ-HNNXBMFYSA-N 287.721 3.583 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)c1csc2ccccc12 804438651 QUFIVASDJCQUQD-NSHDSACASA-N 279.368 3.763 30 20 CHED C=CCCCCCCNC(=O)NC[C@H]1CCC(F)(F)C1 805423374 CSICZLLVHYTYKX-ZDUSSCGKSA-N 288.382 3.858 30 20 CHED CCCCCCCN1CC[C@H](N2CCCC2)[C@H]1C 805766899 BVZLXNXCVLZRKD-CVEARBPZSA-N 252.446 3.515 30 20 CHED C=CCc1cc(CN[C@H]2CC[C@H]2CC)cc(OC)c1OC 806145988 PYBKMQMIVSCLBL-ZBFHGGJFSA-N 289.419 3.711 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2cc(F)ccc2F)c1 806558620 HTBJPFFLEXHUTL-QPJJXVBHSA-N 288.249 3.559 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@H](C)C1CC1 807571816 PWOUABYOKLIBGO-CYBMUJFWSA-N 252.402 3.563 30 20 CHED CCc1ccnc(C(=O)Oc2cc(C)c(C#N)c(C)c2C)c1 809033575 VBDVQHJXYHDOTP-UHFFFAOYSA-N 294.354 3.660 30 20 CHED C#C[C@H](N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C 809782331 PDZGNSUGCXCRRB-WDSOQIARSA-N 298.474 3.535 30 20 CHED C#CCCCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 810075114 DYEVHGRJKKDQSH-FQEVSTJZSA-N 293.410 3.982 30 20 CHED C[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)Cc2ccccc21 811709721 IOGMGQDKXHFGJW-LBPRGKRZSA-N 293.326 3.590 30 20 CHED C#C[C@@H](C)NC(=O)N[C@H](c1cccs1)C(CC)CC 812009572 BDDCACCJFJAMCQ-RISCZKNCSA-N 278.421 3.546 30 20 CHED COCc1ccccc1/C=C(\C)C=NO[C@H]1CCCCO1 814225136 PZHIVQSOIDKEJV-NKWWZWNWSA-N 289.375 3.765 30 20 CHED CC(C)c1cnc(C=NN[C@H](C)C(C)(C)C)s1 814937510 JBYLPXIULDRYAX-SNVBAGLBSA-N 253.415 3.625 30 20 CHED C=CC[C@@H](OC(=O)c1ncc(C#N)cc1C)c1ccccc1 816030716 ZKGZSICVNBTKCA-MRXNPFEDSA-N 292.338 3.736 30 20 CHED CCCCCCCCCCC(=O)N1CCO[C@@H]2C[C@H]21 816900563 QEDCLNBXFUYWCD-HUUCEWRRSA-N 267.413 3.517 30 20 CHED N#CCCNc1ccc(N2CCCCC2)c(Cl)c1 819437454 KIYIUPCRAFOATJ-UHFFFAOYSA-N 263.772 3.656 30 20 CHED CCC[C@H](CC)C(=O)N[C@@H](CCC#N)c1ccccc1 821175845 IPAMIJHHYIRARI-HOCLYGCPSA-N 272.392 3.974 30 20 CHED CC(C)(C)Oc1ccc(N[C@H]2CCSC2)cc1C#N 824722352 QOQAOSAYWKZRKE-ZDUSSCGKSA-N 276.405 3.653 30 20 CHED N#CCC1CCN(C(=O)/C(F)=C/C2CCCCC2)CC1 828167115 QWVWEBANSQGLFZ-QINSGFPZSA-N 278.371 3.572 30 20 CHED C#CC1CCN(C(=O)Nc2cccc(C(F)F)c2)CC1 831412720 VRTBXZZVSJKXDO-UHFFFAOYSA-N 278.302 3.501 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)CC1(C#N)CCCCC1 831662643 CCZLAIPBXMVTDA-UHFFFAOYSA-N 282.387 3.748 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1cnc2ccsc2c1 835002408 SAHVEQNFZPJTPF-QMMMGPOBSA-N 287.310 3.561 30 20 CHED Cc1nc2ccccc2cc1C(=O)O[C@@H](C)C(C)(C)C#N 835245078 MRWLSUZEWKYANK-LBPRGKRZSA-N 282.343 3.638 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(Cl)nc1Cl 835366121 USOCQKJYDMEENC-UHFFFAOYSA-N 274.147 3.644 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F 835658729 TUMJLLHQXLPMIC-SNVBAGLBSA-N 291.656 3.709 30 20 CHED CS[C@@H](C)CCOC(=O)C[C@H](CC#N)c1ccccc1 835672667 VFKPGIQOHHJDHP-ZFWWWQNUSA-N 291.416 3.759 30 20 CHED O=C(C#CC1CC1)Nc1ncc(C2CCCCC2)s1 837523056 JTYCKSFFQPMASY-UHFFFAOYSA-N 274.389 3.543 30 20 CHED C#CCC[C@H](C)OC(=O)CCc1cnc2ccccc2c1 839039979 UWWJWOHTCJXIJP-AWEZNQCLSA-N 281.355 3.513 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(-c3ccccc3)on2)C1 839041885 CBDKBVMIWOHUOG-JSGCOSHPSA-N 296.326 3.581 30 20 CHED CCN(CC)c1ncc(C=NOCc2ccccc2)s1 839419800 NHCHYABYMFINOL-UHFFFAOYSA-N 289.404 3.540 30 20 CHED Cc1ccc(N2CCN([C@@H](C)CCC#N)[C@H](C)C2)cc1C 839504598 LUZLBMDYGQKRSI-DLBZAZTESA-N 285.435 3.506 30 20 CHED C=C(C)CCNC(=S)Nc1cccc(Cl)c1 840793825 YWOJPYUTIGPCHB-UHFFFAOYSA-N 254.786 3.593 30 20 CHED CCCCCCC[C@H](C)CNCc1ccc(C)nn1 840883628 USYABDANKOVOMZ-AWEZNQCLSA-N 263.429 3.871 30 20 CHED COc1ccc(C=O)cc1OCCC1(C#N)CCCCC1 842012987 FCACZMSVPILCHP-UHFFFAOYSA-N 287.359 3.751 30 20 CHED C#CCCCCCOC(=O)c1cccc2ccncc12 842751718 KYLOXRGORLSVLD-UHFFFAOYSA-N 267.328 3.585 30 20 CHED C=C(C)CONC(=O)Nc1ccc(F)cc1OC(C)(C)C 844593745 OHZGMXRFAUXEOU-UHFFFAOYSA-N 296.342 3.632 30 20 CHED CC[C@H](OCCOC(=O)[C@](C)(C#N)CC)c1ccccc1 845164800 BVDOXHPFSARTOM-RDJZCZTQSA-N 289.375 3.637 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 845624928 VONMHPKFLGCKKC-CWRNSKLLSA-N 288.391 3.518 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(C(C)=O)o1 851142919 HKKJDNKRXSPIAR-OCCSQVGLSA-N 276.332 3.774 30 20 CHED Fc1cc(Cl)cc(NN=C2CC(C(F)F)C2)c1 853395795 LSZFTDOFUDRBDP-UHFFFAOYSA-N 262.662 3.922 30 20 CHED C[C@@H](C=NNc1ncc(Cl)cn1)CCc1ccccc1 857222900 FVBQJLXPKWMCKT-GFCCVEGCSA-N 288.782 3.797 30 20 CHED C=CCCCC(=O)Nc1cccc(Br)c1F 857656768 ADEDFIAVBVDJDX-UHFFFAOYSA-N 286.144 3.883 30 20 CHED C[C@H](Nc1cccc2c1OCC2)c1ccc(OCC#N)cc1 858477823 MGSYOXQLIQMMAP-ZDUSSCGKSA-N 294.354 3.697 30 20 CHED CCc1ccccc1COC(=O)C(C#N)(CC)CC 860197972 KXQPDOSJGNCJCV-UHFFFAOYSA-N 259.349 3.622 30 20 CHED Cc1ccc2occ(CC(=O)O[C@@H]3CCC[C@H](C#N)C3)c2c1 860825513 KBTVCIXETDVLFF-DZGCQCFKSA-N 297.354 3.909 30 20 CHED COc1ccc(NCc2nc3c(s2)CCCC3)cc1C#N 865295783 MFGRTHUJNAQSDU-UHFFFAOYSA-N 299.399 3.514 30 20 CHED C/C(=C/C(C)(C)C)C(=O)Nc1cc(C#N)c(F)cc1F 876347670 DSNIVUBLADSEEP-CLFYSBASSA-N 278.302 3.767 30 20 CHED C#CCN(C[C@H](C)CCC#N)[C@@H]1CCc2ccccc21 876513639 OQTGHFJIRWQVGY-CRAIPNDOSA-N 266.388 3.549 30 20 CHED C[C@@H](CCC#N)CNc1cc2c(cc1Cl)OCCCO2 877129401 KJUOJXGYEVUHKC-NSHDSACASA-N 294.782 3.853 30 20 CHED C#CCCCCCCNc1ccccc1C[S@](C)=O 877362938 LQNXQZJCTZDXER-IBGZPJMESA-N 277.433 3.561 30 20 CHED C=CCN(C)C(=O)Nc1scc(C(C)(C)C)c1C#N 888222001 BDXFCOXVBQLLKT-UHFFFAOYSA-N 277.393 3.567 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)cc1 896223553 HBXSCJVNODWGJK-LBPRGKRZSA-N 298.411 3.574 30 20 CHED C#Cc1ccc(NC2CCN(C(=O)CC(C)(C)C)CC2)cc1 898504796 JEGRWDYYKYFOET-UHFFFAOYSA-N 298.430 3.507 30 20 CHED N#CC1(CCCC[S@@](=O)c2ccccc2F)CCC1 899278102 SYTMCUYWXUZCTN-LJQANCHMSA-N 279.380 3.797 30 20 CHED c1cnc(C2CCC2)c(NN=C2CC3(CCCC3)C2)n1 901239695 VQJPLHPHOHJLPO-UHFFFAOYSA-N 270.380 3.866 30 20 CHED CCn1cncc1/C=C1\C(=O)c2ccccc2[C@@H]1C(C)C 901500914 UTQWPGIZHJRQDN-STKCSNAVSA-N 280.371 3.923 30 20 CHED CC[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cccc(C#N)c1 902820274 QHTVJXHBAWAXQA-WNRNVDISSA-N 298.430 3.803 30 20 CHED CN(C)CCc1ccc(-c2csc(CC#N)c2)cc1 904797282 WQNWAJQVFLCYOA-UHFFFAOYSA-N 270.401 3.585 30 20 CHED CC(C)[C@@H](C#N)c1ccc(-c2cccc3c2CNC3=O)cc1 904901600 GQROUNNXKDICOH-QGZVFWFLSA-N 290.366 3.860 30 20 CHED C=CCC1(C(=O)Nc2cc(C)cc(O)n2)CCCCC1 910609297 JIUYZWBHMAQMPT-UHFFFAOYSA-N 274.364 3.561 30 20 CHED Fc1ccccc1NC(=S)NN=CC1CCCCC1 915921301 QNXGZPLQUAMLLX-UHFFFAOYSA-N 279.384 3.678 30 20 CHED Fc1ccc(CNN=CC2CCCCC2)cc1F 915976087 ZLFMQZHVGHSVBU-UHFFFAOYSA-N 252.308 3.621 30 20 CHED CC(C)Oc1cccc(C/N=C/c2ccccc2O)c1 915981107 LXIBUMMQGRJAGB-LDADJPATSA-N 269.344 3.799 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(C)c([N+](=O)[O-])c1 916268194 PLHLLSBBYCKZCP-UHFFFAOYSA-N 287.294 3.878 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(C)cc1 917549596 VTAMCJYBEBVAIX-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CCC(=NNc1oc(C)nc1C#N)c1cccc(Cl)c1 917555426 QMMMNOGSYDPBCG-UHFFFAOYSA-N 288.738 3.734 30 20 CHED C=CCOC(=O)CCCC(=O)c1c(C)cc(C)cc1C 919455432 SYQZOOVQOSVJDT-UHFFFAOYSA-N 274.360 3.694 30 20 CHED Cc1ccc2c(c1)CCC2=NOCc1ccccc1 921257666 NCTUNAQWBAVNEQ-UHFFFAOYSA-N 251.329 3.862 30 20 CHED CC[C@H](C)Cc1noc(-c2cc(C#N)ccc2C)n1 924152427 KPVKLNZLPMLARS-JTQLQIEISA-N 255.321 3.505 30 20 CHED CC(C)[C@H](N[C@H](C)CC(C)(C)C#N)[C@@H](O)c1ccccc1 926319074 FQRZSYOIJLTECP-PVAVHDDUSA-N 288.435 3.663 30 20 CHED CCC[C@H](N[C@@H](C)CC(C)(C)C#N)[C@@H](O)c1ccccc1 926333964 WIHHJUARNMHJKD-XIRDDKMYSA-N 288.435 3.807 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2ocnc2C)cc1 928819444 MHJMNBZYHROZBF-INIZCTEOSA-N 283.331 3.528 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1ccc(C)s1 930513321 LMLYQBXHIMHXND-NWDGAFQWSA-N 251.395 3.836 30 20 CHED CC[C@@H](C)n1nc(NC(=O)CC#Cc2ccccc2)cc1C 1116475409 CSVYLFNEUOXSHF-CQSZACIVSA-N 295.386 3.543 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)n(C3CC3)c2C)C1 1118782589 UMDXZZHBMPSSCQ-OAHLLOKOSA-N 286.419 3.868 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cnc(Cl)cc1C#N 1121209837 MCICOGCYQYUPNL-VIFPVBQESA-N 279.771 3.617 30 20 CHED C#C[C@H](OC(=O)c1cc2c(Cl)cncc2s1)C1CC1 1122738409 UASBMKYIZAYVMZ-NSHDSACASA-N 291.759 3.518 30 20 CHED CCc1cccc(C)c1NC(=O)c1cc(C#N)ccc1F 1124176544 AFZOHQCOMRVVOC-UHFFFAOYSA-N 282.318 3.821 30 20 CHED N#Cc1cccc(NC(=O)C2(C3CCCCC3)CC2)c1 1124203792 PIABBPCZMILMNT-UHFFFAOYSA-N 268.360 3.857 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cncc3ccccc23)c1 1129809553 PPMHATBZQYBATN-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)cc1O 1137160654 WGJIXSIAXYAKMJ-UHFFFAOYSA-N 294.354 3.948 30 20 CHED Cc1nsc(N2CC[C@@H](CC(C)(C)C)C2)c1C#N 1186721498 ZHOGPOMBKRADAN-NSHDSACASA-N 263.410 3.586 30 20 CHED CN(CCc1ccc(C#N)cc1)Cc1cc2ccccc2[nH]1 1191401361 XWUBVVMESCFAGA-UHFFFAOYSA-N 289.382 3.714 30 20 CHED N#Cc1cccc(CNCc2cccc3ccoc23)c1 1199178693 AYAZARJHKCKPRU-UHFFFAOYSA-N 262.312 3.594 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1nc(Cl)sc1C 1262654591 LBMXUFMVPACTJL-SNVBAGLBSA-N 284.812 3.676 30 20 CHED C=C(C)CCC(=O)Nc1nc2ccc(Cl)nc2s1 1262788607 IHPPWSMZVJFWSA-UHFFFAOYSA-N 281.768 3.640 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)c2cc(C)c(C)o2)c1 1321355747 BKGQLSRLLZMSTL-FPLPWBNLSA-N 284.311 3.579 30 20 CHED C=CCC[C@H](NCCc1nc(C(C)C)no1)c1ccco1 1322073491 MZNUQALJCWQCDZ-ZDUSSCGKSA-N 289.379 3.626 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(c2ccc(F)cc2)C1 1324683230 VSTORFDODFKOLB-CYBMUJFWSA-N 290.382 3.679 30 20 CHED CCCCCC[C@H](C)C(=O)OCc1ccc(C#N)cn1 1326397594 XCQLODGYHVCEFR-ZDUSSCGKSA-N 274.364 3.603 30 20 CHED C(#CC1CC1)c1nnc(-c2cc3c(s2)CCCCC3)o1 1327847188 MVOPWGGHDIWVMO-UHFFFAOYSA-N 284.384 3.829 30 20 CHED N#CC1(CNc2c(F)cccc2C(F)(F)F)CC1 1333719728 YCHDMDDCWLNYJE-UHFFFAOYSA-N 258.218 3.560 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)[C@H](C#N)c1ccccn1 1342037525 SHOCFYWXYWMLHQ-CYBMUJFWSA-N 282.343 3.771 30 20 CHED CCc1oc2ccccc2c1C(=O)NCC(C)(C)CC#N 1344546848 ULYWFBHOVILLMD-UHFFFAOYSA-N 284.359 3.665 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)CC1CCCCC1 1439677876 IKWSJHQHVQXNQS-ZFWWWQNUSA-N 264.413 3.744 30 20 CHED Cc1ccc(CC(=O)N(C)c2ccc(C#N)cc2)cc1Cl 1456730841 PCIDGDLEBNECIV-UHFFFAOYSA-N 298.773 3.726 30 20 CHED CS[C@H](C(=O)Nc1cc(C)cc(C#N)c1)c1ccccc1 1460861238 ACPVFOCPVNHBHC-INIZCTEOSA-N 296.395 3.910 30 20 CHED CCc1ccc(C2CCN(c3ccc(C#N)cn3)CC2)cc1 1472846055 KEYPGLSJGWJIRY-UHFFFAOYSA-N 291.398 3.900 30 20 CHED Cc1cc(C#N)cc(NCc2cc3cnccc3o2)c1 1474179319 NQIMNGHNDVZSJR-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CC(C)C[C@@H](C)CNC1CCN(c2ccccc2C#N)CC1 1474656713 MWSCOSPRHOWMMY-MRXNPFEDSA-N 299.462 3.799 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)CSC1CC1)c1cccs1 1515586464 CAUKKHMJTLQFKR-HZMBPMFUSA-N 295.429 3.778 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2cc(C#N)ccc2F)c1 1527754159 PSOZSSOCLXIDGV-UHFFFAOYSA-N 282.318 3.591 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc3cnccc23)c1 1528379742 XYPDFYJASOACEL-UHFFFAOYSA-N 287.322 3.667 30 20 CHED COc1ccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1C#N 1532697401 WPKSKYXVYYSAID-GJZGRUSLSA-N 298.386 3.722 30 20 CHED CC[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1544390956 XQZJGUNKWBUQBS-MRXNPFEDSA-N 282.318 3.830 30 20 CHED Cc1cc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)ccc1C#N 1560294092 NMNWZDHSROEZOC-HVMFNXBNSA-N 280.415 3.781 30 20 CHED COc1ccc2c(c1)N(C[C@@H](C)CCC#N)CCCC2 1560897869 PWKYQODAWDTWEZ-AWEZNQCLSA-N 272.392 3.778 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@]2(C)CCc3ccccc32)c1 1583760684 VZLWFJFCODAPJU-LJQANCHMSA-N 290.366 3.709 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(C#N)ccc2C)c1 1583909870 YWNKYLYTEPCFAM-OAHLLOKOSA-N 292.382 3.975 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)O)c(C)c1 1588770969 KSTJDVLKKUZVAG-NVXWUHKLSA-N 287.403 3.918 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](CC1CCCC1)C(=O)O 1588777960 NVOAJFUSMSEVII-HUUCEWRRSA-N 267.413 3.602 30 20 CHED CC(C)C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)O 1591191394 ZCBLZICPVRTGFB-LBPRGKRZSA-N 283.780 3.803 30 20 CHED Cc1ccncc1C(=O)Nc1cc2ccccc2cc1C#N 1597221256 KOXHYFQUPZDCKR-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC[C@H](C)Oc1cc(Oc2ccccc2C#N)nc(C)n1 1611734038 YBDKBKXUFFFYOG-NSHDSACASA-N 283.331 3.626 30 20 CHED CC(C)(CNc1ncc(C#N)cc1F)c1cccc(F)c1 1611967415 IEHVTYDNCKBQJJ-UHFFFAOYSA-N 287.313 3.621 30 20 CHED Cc1ccc(C(=O)N(C)Cc2c(C)cccc2C)cc1C#N 1617839039 QFVHSPDYJBYUDU-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(-c2ccccc2)cnc1C 1637976100 YMDLAPKOJJCVCN-ZDUSSCGKSA-N 279.343 3.545 30 20 CHED Cc1ccccc1Oc1nc(C#N)c(Cl)s1 1639186740 WAGFHEHTXQGYHA-UHFFFAOYSA-N 250.710 3.769 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1640760070 BKTMJZCQCNEZOF-AAEUAGOBSA-N 296.374 3.508 30 20 CHED CCN(C[C@@H](O)c1ccc(C#N)cc1)c1cccc(C)c1F 1644243867 VNNSSNZBVMGFPA-QGZVFWFLSA-N 298.361 3.566 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2nc(C)ccc2C#N)c1 1655188822 UCFHRBWXAFUMBL-HNNXBMFYSA-N 279.387 3.922 30 20 CHED CCC[C@H](NC(=O)NCc1cccc(C#N)c1)C1CCCC1 1675351011 KEBIDSDAGZKTNA-KRWDZBQOSA-N 299.418 3.716 30 20 CHED CCC1(CC)CCC(NC(=O)N2CCC[C@@H](C#N)C2)CC1 1682007688 SYBSBVCXPWKMEG-AWEZNQCLSA-N 291.439 3.681 30 20 CHED CC(CCCC(C)C)=NNc1cccc(C(=O)O)c1 1776036839 CIOWEKQGJHBPGX-UHFFFAOYSA-N 262.353 3.999 30 20 CHED C[C@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 17368353 PUUCKTMKCIBZNQ-CQSZACIVSA-N 278.355 3.885 30 20 CHED C[C@@H]1/C(=C/c2cccs2)C(=O)c2c(O)ccc(F)c21 18917347 DRERAFXZSPYLHA-FBHKUJJOSA-N 274.316 3.976 30 20 CHED CSc1ccc(CNc2cccc(C#N)c2)cc1 20090121 CICVDSNOLPOAOM-UHFFFAOYSA-N 254.358 3.892 30 20 CHED N#Cc1ccc(NCc2csc(-c3ccccn3)n2)cc1 35054619 NKQPKBTWMUQEDX-UHFFFAOYSA-N 292.367 3.689 30 20 CHED C[C@@H](NCCc1ccccc1F)c1cccc(C#N)c1 37200162 LYSASOSUFBVELD-CYBMUJFWSA-N 268.335 3.591 30 20 CHED Cc1ccc(CNc2ccc(OCC#N)cc2)cc1C 37228573 MBZWSXOZWLJSFM-UHFFFAOYSA-N 266.344 3.818 30 20 CHED CC[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 41336470 RYVMOLQHEWIWOH-INIZCTEOSA-N 282.318 3.830 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)c(C)c1 41519832 IXUGOZQILBKFNG-CYBMUJFWSA-N 270.357 3.558 30 20 CHED N#CCCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 42248220 DGWBTGCZBBXNKB-UHFFFAOYSA-N 269.175 3.871 30 20 CHED N#Cc1c(Cl)cccc1NCCc1cccs1 48936093 VEIZUPBDMMWZJN-UHFFFAOYSA-N 262.765 3.928 30 20 CHED C[C@H](OC(=O)c1cccc(CC#N)c1)c1ccccc1F 51534333 PFVKPEWNEWFONK-LBPRGKRZSA-N 283.302 3.810 30 20 CHED N/C(Cc1ccccc1Cl)=N\OCc1cccc(F)c1 58497937 UGPAELMTOYJAJB-UHFFFAOYSA-N 292.741 3.511 30 20 CHED C=C(C)COC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C 58816879 BUMDFTCPHRVSFG-SXGWCWSVSA-N 286.375 3.541 30 20 CHED C=CCN(Cc1cccs1)C(=O)CCc1ccsc1 60678054 CKAPUTXMWLRQIA-UHFFFAOYSA-N 291.441 3.957 30 20 CHED C=CCN(C(=O)CSc1ccccc1)c1ccccc1 61263196 CAGVNLSMQCEDLL-UHFFFAOYSA-N 283.396 3.998 30 20 CHED N#Cc1cc(Oc2cccc(C(F)(F)F)c2)ccn1 61815351 AWBLKLAHJZGOAO-UHFFFAOYSA-N 264.206 3.764 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1cccc(OCC)c1 63404978 VWXYOFKKZOTCBG-CQSZACIVSA-N 288.391 3.530 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCc2sccc2[C@@H]1CC 69353607 OJTFGRBUAKCYGH-JSGCOSHPSA-N 293.432 3.565 30 20 CHED C=CCCC(=O)Nc1ccc(C)c(Br)c1 70916135 YLJPCCKAGNTIFP-UHFFFAOYSA-N 268.154 3.662 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1cc(C)cc(C)c1 73624463 AZVVRXPLMAVYFO-HNNXBMFYSA-N 274.408 3.528 30 20 CHED CCc1ccc(Oc2cccc(F)c2C#N)c([N+](=O)[O-])c1 78837725 RALSTEQCEYBKRE-UHFFFAOYSA-N 286.262 3.960 30 20 CHED C=CCCc1csc(-c2cnc3ccccn23)n1 90065616 VMTWIUKONSTKGP-UHFFFAOYSA-N 255.346 3.576 30 20 CHED C=CCC[C@@H](NC[C@@H](C)c1c(C)noc1C)C1CC1 90762808 GNIAHEQUSAAWPY-IAQYHMDHSA-N 262.397 3.729 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1F 106409975 FKYGNXCKABSCLQ-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED CC[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1F)C(C)C 108798786 ZRJBRGLYTBRPAC-WFASDCNBSA-N 276.355 3.579 30 20 CHED N#Cc1cc(F)c(N2CC[C@H](c3ccccc3)C2)c(F)c1 111144286 UPNCALKNEMOVMO-AWEZNQCLSA-N 284.309 3.830 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(OCC)ccc1OCC 116998382 UNDCZBAXGFAPHE-LBPRGKRZSA-N 292.379 3.570 30 20 CHED C=CCCCSCC(=O)Nc1cc(F)ccc1F 117945022 HPEJVRWRYFPQOM-UHFFFAOYSA-N 271.332 3.603 30 20 CHED C=CCCCS[C@H](C)C(=O)NCc1ccc(F)cc1 117945076 CAJVVNCLNGVJST-GFCCVEGCSA-N 281.396 3.530 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cccc(Br)c1 119362784 UMGMZPBFEZDYGS-NXEZZACHSA-N 254.171 3.674 30 20 CHED C#CCCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 119819798 VTBYQOGZSDPFNY-LSDHHAIUSA-N 275.779 3.506 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1c[nH]c2ccccc12 121037912 JCPCUCAUKUVQSK-MDZDMXLPSA-N 272.307 3.936 30 20 CHED 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C=CCCCOc1cc(CCC(C)=O)ccc1OC 276838638 BZPTYUXPUQJING-UHFFFAOYSA-N 262.349 3.562 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](c2cccc(C)c2)C1 276997043 YOKJQNWSABUQEK-AEFFLSMTSA-N 271.404 3.913 30 20 CHED CCc1ccccc1CCN(CCC#N)Cc1ccccn1 277597651 DYZYXPZRNMFVOR-UHFFFAOYSA-N 293.414 3.602 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(Cl)o2)no1 277992452 VLCAZIJONWCNID-MRVPVSSYSA-N 268.700 3.637 30 20 CHED C=CC[C@H]1N(C(=O)/C=C/c2cncs2)CCCC1(C)C 282618991 HFXFKEUPMBNRNH-HSBSLETESA-N 290.432 3.750 30 20 CHED CC(C)(C#N)CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 286075827 JJFBJKNNPOKDSD-GVDBMIGSSA-N 296.414 3.721 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 286221138 CZAAVTCCNHXEIZ-WBVHZDCISA-N 269.388 3.790 30 20 CHED Cc1cc(NC(=O)N(C)[C@H](C)CC#N)c(Cl)cc1F 287400606 BNSNMQOVRKWDHH-SECBINFHSA-N 283.734 3.553 30 20 CHED CC(C)Sc1ccccc1C(=O)N[C@H](C#N)C(C)(C)C 291375357 DNYGDHSTMFWPCW-CQSZACIVSA-N 290.432 3.855 30 20 CHED C=CCCc1noc(-c2cnn(CC(C)C)c2C2CC2)n1 297388573 RRJFWPHVXQYXSV-UHFFFAOYSA-N 286.379 3.585 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H]1CC[C@H](C#N)C1 298302405 YEVMZFNFPGLKKZ-DZGCQCFKSA-N 258.340 3.506 30 20 CHED CC(C)[C@H](NCCC#N)c1ccc(Cl)cc1F 298887908 KVWXDVSANRMDJO-ZDUSSCGKSA-N 254.736 3.679 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1)Cc1cccs1 301443986 VEHRZFHGWSTCMK-GFCCVEGCSA-N 256.374 3.910 30 20 CHED N#Cc1cccnc1Nc1cccc(CC(F)(F)F)c1 301569278 WMEZNKWCCJKTBR-UHFFFAOYSA-N 277.249 3.802 30 20 CHED Cc1cc(C/N=C(/N)Nc2ccc3c(c2)CCC3)ccc1F 303775257 GQHNQTPGBXNYGE-UHFFFAOYSA-N 297.377 3.550 30 20 CHED CCOc1cccc(C/N=C(/N)Nc2cccc(CC)c2)c1 303888485 LKSYNKVXARUATF-UHFFFAOYSA-N 297.402 3.575 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(Br)cc(C)c1O 309567259 MMNKKMXFTJDUJQ-ZJUUUORDSA-N 284.197 3.688 30 20 CHED Cc1nc(N2CCCC(C)(C)CC2)c(Cl)cc1C#N 311633783 ZWOPRKSACDVSSE-UHFFFAOYSA-N 277.799 3.932 30 20 CHED N#CCc1cccc(NCc2ccc(F)cc2F)c1 313429019 PGCCABYGWLAFQJ-UHFFFAOYSA-N 258.271 3.643 30 20 CHED CC[C@H](N/C(O)=N/CCC(C)(C)C)c1nc(C)cs1 330628949 ZYDHUAYBGPXBAF-NSHDSACASA-N 283.441 3.842 30 20 CHED COc1cccc2c1CC[C@H]2N/C(O)=N/CCC(C)(C)C 330951921 DZFVVDBOVHHZRT-CQSZACIVSA-N 290.407 3.622 30 20 CHED CCCC1CCC(N(C)C(O)=Nc2ccnc(C)n2)CC1 331190412 WJPFGTRXNCNSGB-UHFFFAOYSA-N 290.411 3.621 30 20 CHED CCc1ccnc(C/N=C(/O)N[C@@H]2CCCCC2(C)C)c1 331228345 GLVYZUXWDRLLMW-OAHLLOKOSA-N 289.423 3.616 30 20 CHED CC1=C(C)C[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC1 335472932 UNPBVKVEPFNJRX-QGZVFWFLSA-N 282.387 3.653 30 20 CHED Cc1ccc2[nH]c(CN[C@H]3CCC[C@@H]3C#N)cc2c1C 335693644 KSDPGBGOOYIGJX-CJNGLKHVSA-N 267.376 3.567 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2)cs1 338211832 IBKVLVDHMXLFPN-CQSZACIVSA-N 298.411 3.991 30 20 CHED C=C(CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 340884299 UXSYZDIOGILLIP-UHFFFAOYSA-N 279.299 3.592 30 20 CHED C[C@@H]1CCC[C@@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 341448950 FJYQSWVCTXYVQE-DJIMGWMZSA-N 299.418 3.767 30 20 CHED C=CCCC1(C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 342526083 KUAQSRHYLFCIQY-UHFFFAOYSA-N 286.375 3.638 30 20 CHED CN(c1nccc(C#N)c1Cl)[C@H]1CCC(C)(C)C1 343045179 LJUPLXFOWPWDGI-NSHDSACASA-N 263.772 3.622 30 20 CHED Cc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)ccc1F 344124019 JTERJSYYNVKKDT-UHFFFAOYSA-N 297.333 3.670 30 20 CHED Cc1cccnc1SCc1cc(C#N)ccc1F 344594851 RXKKLSXOYINWOG-UHFFFAOYSA-N 258.321 3.693 30 20 CHED Cc1cc(C)c(C#N)c(SCCCc2ccncc2)n1 344757765 ZLUPBRJGENUABM-UHFFFAOYSA-N 283.400 3.690 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2ccc(C#N)cc2Cl)C1 345287294 MKMSSDJKSNERMF-GXSJLCMTSA-N 262.740 3.586 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](CC)c1ccc(OC)cc1 346144565 ZKAAUVHSAAGBSK-ZBFHGGJFSA-N 290.407 3.800 30 20 CHED C=C(CN[C@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1 346778077 LVWVKNREHIETQI-VFNWGFHPSA-N 299.439 3.788 30 20 CHED Cc1ccc(C#N)c(N(C)CCCCc2ccccc2)n1 346853876 RZYBVLGDSIBRAA-UHFFFAOYSA-N 279.387 3.721 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C)o1 347865450 HPXHTDRUVBBKSS-UHFFFAOYSA-N 269.344 3.807 30 20 CHED CCc1cc(OC)ccc1/C=C\c1ccncc1C#N 349115923 YDYOAHGSJZICMS-PLNGDYQASA-N 264.328 3.695 30 20 CHED C=CCN(Cc1cnc2n[nH]c(C)c2c1)Cc1cccs1 349541414 FLRDULOMWYNDSQ-UHFFFAOYSA-N 298.415 3.516 30 20 CHED CC[C@](C)(OC)c1noc(C[C@@H](CC#N)c2ccccc2)n1 350460542 YGUZTUGPRTWKOM-PBHICJAKSA-N 299.374 3.581 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCCc2sccc21 351695880 ZOVHPBCCVBJADQ-CYBMUJFWSA-N 278.421 3.781 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1ccccc1C#N 353394714 NOSWZGSZHQAOIM-CQSZACIVSA-N 262.356 3.678 30 20 CHED C=CCCCC(=O)N1CCCc2ccc(F)c(F)c21 355189092 CDIRPLWXEOSHAV-UHFFFAOYSA-N 265.303 3.600 30 20 CHED C=CCCC1(C(=O)NCc2cccc3cc[nH]c23)CC1 357005460 URHDQAGVFJTUCW-UHFFFAOYSA-N 268.360 3.531 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@@H]2CCC(=O)[C@H]2C)CCCC1(C)C 357120025 HDPKOYVPWOOIOK-DZKIICNBSA-N 291.435 3.585 30 20 CHED CC(C)Sc1ccc(CN(C)C[C@H](C)C#N)cc1 358072614 YLJAETOOIANUFN-CYBMUJFWSA-N 262.422 3.779 30 20 CHED CC(C)(CNC(=O)CCCC#N)c1c(F)cccc1Cl 360307847 BVBOCHGUCUJBPQ-UHFFFAOYSA-N 296.773 3.567 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(-c2nccs2)cc1 362631419 PPLTZSVZDXAMBZ-JTQLQIEISA-N 273.361 3.506 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2Cl)[C@@H]1c1ccncc1 368029401 OAZBAUMVQLZNBA-CQSZACIVSA-N 298.777 3.589 30 20 CHED CCCCCCCC(=O)NC[C@]1(C)CCO[C@H]1C1CC1 375143720 RFELVBKRJXETRB-IRXDYDNUSA-N 281.440 3.668 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(-c2cccnc2)ccc1C 375908487 BUADCKSNTTVAJQ-SFHVURJKSA-N 293.370 3.935 30 20 CHED COc1cccc([C@H]2C[C@@H](C)CN2c2ccc(C#N)nc2)c1 376357745 YSBMTUQUBFUKHW-FZKQIMNGSA-N 293.370 3.549 30 20 CHED C=CCCC[C@H](C)Nc1ccc(-c2nc(C)no2)cn1 378443723 NVMBUSOQNVCMIK-NSHDSACASA-N 272.352 3.597 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(CCC#N)CC(C)(C)C 410463243 AIQGXOLMKVERPD-AWEZNQCLSA-N 266.429 3.847 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)c1ccc(C(=O)OC)o1 411127446 BXSMDXAJIWPZOU-AWEZNQCLSA-N 299.370 3.815 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C 413813046 CJZKYUZCTLPXTJ-NVXWUHKLSA-N 286.419 3.758 30 20 CHED CCc1sc(C(=O)N2CCc3cc(C#N)ccc32)cc1C 416012506 ASEQELJGGYDKDY-UHFFFAOYSA-N 296.395 3.694 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N2CCc3cc(C#N)ccc32)C1 416016732 IHVYWWNLKUPJCD-KBPBESRZSA-N 282.387 3.664 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ccc(C2CC2)cc1 416080256 OMCHMCAJXJANGY-GFCCVEGCSA-N 257.377 3.953 30 20 CHED C[C@H](SC[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(C#N)c1 419459674 DHXMLSCFLGETFU-DANNLKNASA-N 273.401 3.920 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H](CC(F)(F)F)C1 420844488 ALZOSGLPXKYWNH-VXGBXAGGSA-N 292.345 3.715 30 20 CHED C[C@@H](NCc1cc(C(F)(F)F)ccc1F)C(F)(F)F 424183547 JMJDAYQCOFPSIB-ZCFIWIBFSA-N 289.194 3.885 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C 424671495 HBNZERBMTJDTNN-GDBMZVCRSA-N 271.404 3.993 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(COCC)cc1 424704680 XCRGTSRQRLEGDP-UHFFFAOYSA-N 261.365 3.764 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1ncc2c(c1C#N)CCC2 425236573 QICXEJIBEZFTKY-CABCVRRESA-N 287.432 3.528 30 20 CHED C=CC1CCN(C(=O)C/C=C/c2ccccc2F)CC1 426280271 ZGQDZWKYHFUTRH-FNORWQNLSA-N 273.351 3.654 30 20 CHED C=CCC(C)(C)c1nc([C@@H]2CCOc3ccccc32)no1 426429282 WXUQPMJXYPZUGH-CYBMUJFWSA-N 284.359 3.838 30 20 CHED CC(=O)CCc1ccc(OCc2cccc(F)c2C#N)cc1 427522062 NPVJBAWKWMAKOT-UHFFFAOYSA-N 297.329 3.798 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCC1(CC#N)CC1 430187262 QFFDPXPMOASUGR-KGLIPLIRSA-N 291.439 3.584 30 20 CHED Cc1cc(F)cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 432726273 DLOPXZVDEYPZCT-GFCCVEGCSA-N 297.333 3.889 30 20 CHED Cc1ccc(NCC#Cc2ccc(F)cc2)c(C)c1 433408200 ASQMUTYAHPUNSA-UHFFFAOYSA-N 253.320 3.906 30 20 CHED C=CCC[C@@H](NC(=O)c1ccn(C(C)C)n1)c1ccccc1 435291940 WEDDSLAVVFQGPU-MRXNPFEDSA-N 297.402 3.901 30 20 CHED Cc1cccc2nc(C(F)(F)F)c(C#N)c(C)c12 435926958 ARVONQWKCPRVLJ-UHFFFAOYSA-N 250.223 3.742 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCSc2ccccc21 436297384 XORPSJIRLRWHKL-KMFMINBZSA-N 289.444 3.794 30 20 CHED COc1cc(CNC2(C)CCC(C)CC2)ccc1C#N 440807280 JEDKUMUXFUZHOT-UHFFFAOYSA-N 272.392 3.625 30 20 CHED Cc1cc(C)n(-c2ccc(N[C@H]3CC[C@H](C#N)C3)cc2F)n1 442854827 JMRKJIMWAXZTCQ-KBPBESRZSA-N 298.365 3.732 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCC(C)(C)C1 443594620 RKYGRSODIOFGOJ-CQSZACIVSA-N 285.391 3.957 30 20 CHED CCC1(c2noc(-c3ccc(C#N)s3)n2)CCCC1 445786318 VTGFCOIBGRDAJP-UHFFFAOYSA-N 273.361 3.892 30 20 CHED CN(CC#Cc1ccc(F)cc1)Cc1ccc(F)cc1F 446765991 QCVLBAOKSIYXJV-UHFFFAOYSA-N 289.300 3.587 30 20 CHED Cc1cc(COc2ccc3ncccc3c2)ccc1C#N 447328211 ZQZHJZFMQKWMSI-UHFFFAOYSA-N 274.323 3.994 30 20 CHED CC[C@H](NC[C@]1(C)CCCC[C@@H]1O)c1ccc(C#N)cc1 447588713 WAAKCPIQATUDHI-BZSNNMDCSA-N 286.419 3.540 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 449202390 FZVWWTOOOASEGB-JONQDZQNSA-N 263.425 3.669 30 20 CHED N#C[C@H]1CC[C@@H](NCCOc2ccc(Cl)c(Cl)c2)C1 449405910 PKTUNVAIGWGFPX-WDEREUQCSA-N 299.201 3.654 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)Cc1ccccc1SC 449548532 OGXBDPZTZUEPES-BMFZPTHFSA-N 291.460 3.663 30 20 CHED N#CC1(CSc2nc3cc(F)c(F)cc3[nH]2)CCC1 450784011 GFKJYVQYPNSGEK-UHFFFAOYSA-N 279.315 3.627 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1NCC1(C#N)CCC1 450913284 ZAUHYDSRLOFMRH-HZPDHXFCSA-N 278.440 3.644 30 20 CHED C=CCCc1noc(C[C@@H](C)c2ccccc2F)n1 453249530 USYROJJRALGUCR-LLVKDONJSA-N 260.312 3.674 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(F)cc1N(C)C 453312519 HEODSLXTXZZCNF-GFCCVEGCSA-N 250.361 3.509 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC(CC)(c2ccccc2)C1 458223685 YQMIMMBLROGMAJ-KRWDZBQOSA-N 271.404 3.779 30 20 CHED C=C(C)CCNC(=O)N(CC)[C@H](C)c1ccc(F)cc1 459003045 OEEKOTNZUVSTMQ-CYBMUJFWSA-N 278.371 3.884 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2ccccc2C#N)CC[C@H]1C 459834903 LZELMUMXWOUYGL-FRRDWIJNSA-N 256.349 3.569 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1C1CCCCC1 460939150 VFWWJSSULHLMBP-MRXNPFEDSA-N 288.439 3.712 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)c1cccc(C#N)c1 464267152 PCKDJQPLAHIRNU-CQSZACIVSA-N 297.402 3.641 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1c1cccc(C)c1C 464754657 GZCUXJWYBXTRHN-CJNGLKHVSA-N 272.392 3.724 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](CC1CCCCC1)C(C)C 465113780 OKHPEAFPLGRGOI-ZFWWWQNUSA-N 251.414 3.920 30 20 CHED CCC(C)(C)c1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1 468742905 IYIPQGJCVYXUPN-UHFFFAOYSA-N 281.359 3.826 30 20 CHED C=C(CC)CN1CC[C@H](c2c(F)cccc2F)C1 469451853 GMNGBZZQSVPKMG-LBPRGKRZSA-N 251.320 3.720 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 469751451 ISMNGYHMZJQOQN-STQMWFEESA-N 295.810 3.968 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H](C)CCC1CC1 470333136 AKQOWKVIVVHAGR-CQSZACIVSA-N 290.407 3.598 30 20 CHED C=CCOCCCNC1(Cc2ccccc2)CCCC1 470778081 DNJVCHJBOMQYNZ-UHFFFAOYSA-N 273.420 3.724 30 20 CHED C=CCCC1(C(=O)NCC(C)(C)c2ccccc2)CC1 474783494 LPNUFBPRTIEHSX-UHFFFAOYSA-N 271.404 3.827 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)NC1(C#N)CCCCC1 475470836 LWHIQANSVHMPBG-ZIAGYGMSSA-N 262.397 3.545 30 20 CHED C=CCCC1(C(=O)NCC(C)(C)c2cccs2)CC1 476049049 JTQGYAQUZFMEHW-UHFFFAOYSA-N 277.433 3.888 30 20 CHED C=C(C)CNC(=O)c1ccc2nc(-c3ccccc3)oc2c1 476827457 LZTNUFVVIANIOI-UHFFFAOYSA-N 292.338 3.801 30 20 CHED COC1(CN[C@@H](C)c2cccc(C#N)c2)CCC(C)CC1 479504904 QSSUKCDHJFFSCF-CSLYMUCUSA-N 286.419 3.804 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(C(=O)CC)c1 489044360 KKIMSPIMNBHXTQ-UHFFFAOYSA-N 282.343 3.519 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@H](C)[C@@H]1C)c1ccccc1 489676444 SGJHANTVLOSINQ-ZOBUZTSGSA-N 271.404 3.993 30 20 CHED C=CCC[C@H](C(=O)N(C)Cc1cccn1C)c1ccccc1 489705393 VJJJSOLMVPTHBR-SFHVURJKSA-N 296.414 3.734 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C(F)F)cc1 489939161 BIUZNBDIATVFIB-UHFFFAOYSA-N 267.319 3.956 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc2c1OCO2)c1ccccc1 490243187 IBQSOSOKEUPRFF-CQSZACIVSA-N 295.338 3.714 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(F)cc1OC(C)C 494587398 SLERFWLXBMGVJQ-UHFFFAOYSA-N 280.343 3.653 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N(C)CC1CCC1 508920412 UOQLKASQZFPNTM-UHFFFAOYSA-N 296.418 3.676 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC[C@@H](C)C2)c1 510643373 GAYMEZCEMXLZJU-KGLIPLIRSA-N 288.391 3.952 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(C#N)cc1F 512050576 CZNRSIYQAXUBJL-UHFFFAOYSA-N 294.373 3.928 30 20 CHED Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C)sc2ccc(C#N)cc12 514876054 DSQDZNMTXXLMBW-IINYFYTJSA-N 298.411 4.000 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc(F)c(Cl)cc1Cl 522236457 KTVFGFSEYMGTFL-SSDOTTSWSA-N 289.137 3.555 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(N(CC)CCC)cc1 522645021 XVYYPLVHBUCTFJ-CQSZACIVSA-N 274.408 3.617 30 20 CHED C[C@H](NC(=O)N(C1CCCC1)C1CC1)c1ccc(C#N)cc1 531085461 PCLOTBXNTFXDIH-ZDUSSCGKSA-N 297.402 3.736 30 20 CHED N#Cc1ccc(-c2nc3cccc(Cl)c3[nH]2)c(F)c1 534628945 ZZNGVJGZFQBYNR-UHFFFAOYSA-N 271.682 3.894 30 20 CHED C=CCCC(=O)N1c2ccccc2CC[C@@H]1C(C)C 536313019 DFOMPCMGDISKLM-OAHLLOKOSA-N 257.377 3.957 30 20 CHED C=CCN(Cc1ncccc1C)CC1CCCCC1 537862046 XXBLUPOEEZYZFZ-UHFFFAOYSA-N 258.409 3.958 30 20 CHED CN(CCC(C)(C)C#N)c1ccc(F)c(Cl)c1 538514649 MRLYBSTXKPRABL-UHFFFAOYSA-N 254.736 3.855 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccccc1Cl 539388609 PCGDKQLKHYQMGJ-LBPRGKRZSA-N 280.799 3.884 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@H]1C(C)C)c1ccccc1 539450290 BFBNUBZGUXXVTP-HOCLYGCPSA-N 257.377 3.603 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1nnn(-c2ccccc2)c1C 539510247 SIHNJWSNJUHKNT-HUUCEWRRSA-N 298.434 3.971 30 20 CHED C=CCSCCNC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 541888318 IUHOSMZQAAEJFZ-CJNGLKHVSA-N 296.480 3.516 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)N1CCC(CC#N)CC1 541914608 CUYYUHLQCKUPSG-GOEBONIOSA-N 291.439 3.538 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(Cl)c(C#N)c2)C1 542512878 MGZDPSBPKPVLLB-SMDDNHRTSA-N 290.794 3.862 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1ccc(Cl)cc1F)C(C)C 543777985 ZDGJKXYPBNTTSK-WBMJQRKESA-N 299.817 3.950 30 20 CHED CC(C)CN(C(=O)c1ccc(C#N)c(Cl)c1)C(C)C 548282762 PFPHBJTVZVXIMG-UHFFFAOYSA-N 278.783 3.718 30 20 CHED N#Cc1ccc(CNc2cccc3cc[nH]c23)s1 548510684 DWODKRMUCXSKTE-UHFFFAOYSA-N 253.330 3.713 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2c1ccn2C 550490004 UKTXCSKRBWVFAG-UHFFFAOYSA-N 256.349 3.719 30 20 CHED N#Cc1[nH]c(=N[C@@H]2CCC[C@H]2c2ccccc2)ccc1Cl 558116981 QRQHUUOAIXBHEY-DZGCQCFKSA-N 297.789 3.777 30 20 CHED Cc1csc(NC(=O)Cc2coc3ccccc23)c1C#N 558244320 NOGXCBHCNJYAJZ-UHFFFAOYSA-N 296.351 3.856 30 20 CHED CC(C)CC1(C)CCN(C(=O)Cc2ccc(C#N)cc2)CC1 558574366 GCSZLPUFFLFFNT-UHFFFAOYSA-N 298.430 3.776 30 20 CHED CCO[C@H]1C[C@@H](NCc2ccccc2C#N)C12CCCCC2 559326830 CSDQAUFHALKNNI-MSOLQXFVSA-N 298.430 3.776 30 20 CHED N#Cc1ccc(N2CC[C@H](c3cccc(F)c3)C2)cc1 560670814 VKOWNAKSKXJVPD-HNNXBMFYSA-N 266.319 3.691 30 20 CHED C=CCC[C@H](C(=O)Nc1nc(CC)co1)c1ccccc1 567176934 UUVCEGBYAGKFRG-HNNXBMFYSA-N 284.359 3.926 30 20 CHED N#Cc1c(NC(=O)[C@]23CCC[C@@H]2C3)sc2c1CCCC2 567606775 SAMBJSWIVSPOMP-HWPZZCPQSA-N 286.400 3.627 30 20 CHED N#CCCC1CCN(Cc2ccccc2OCC2CC2)CC1 570332906 YDCFSVFOXONGPC-UHFFFAOYSA-N 298.430 3.991 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C1(C)C 571173797 AEKISHLYNOYQAP-CQSZACIVSA-N 299.418 3.630 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCCOC1CCCCC1)CC2 579533152 JYKNIUUDFNZXMD-IBGZPJMESA-N 298.430 3.875 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)Cc2ccccc2O1 580245287 HUTQYEAXCNLNIX-UHFFFAOYSA-N 298.411 3.793 30 20 CHED N#Cc1ccnc(NCc2cccc(Cl)c2Cl)c1 581088388 CELXIGBJBGTCBH-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 581534774 TYSJGCGROZODJD-LFVTVUPYSA-N 296.414 3.604 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2sccc2CC)cc1 581849534 VUOXXUXOOCRDMZ-OAHLLOKOSA-N 298.411 3.868 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@](C)(C#N)CC 582450602 ZYUARLRSROYDMK-MRXNPFEDSA-N 256.349 3.684 30 20 CHED C[C@@H](NC(=O)CCCCCC#N)c1ccc(F)cc1F 588147180 AXZDKHSGGMJKDM-LLVKDONJSA-N 280.318 3.616 30 20 CHED CCS[C@H]1CCCC[C@H]1NC(=O)CCCCCC#N 588160549 AXCPVVMIDIFQKO-KGLIPLIRSA-N 282.453 3.641 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCCCCC#N 588269327 YOAPKVORXRUAFP-GFCCVEGCSA-N 294.345 3.958 30 20 CHED Cn1nccc1C(=O)/C=C\c1csc2ccccc12 588595189 UVXRVMSNCDPCDT-SREVYHEPSA-N 268.341 3.531 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@@H](C2CC2)C1 588855068 PRMMJERSQMXVOC-GFCCVEGCSA-N 260.768 3.838 30 20 CHED C[C@H](N=c1[nH]c(C#N)c(Cl)s1)c1ccc(F)cc1F 590570156 WLQXEJVJUKIXOA-LURJTMIESA-N 299.733 3.541 30 20 CHED N#CC1(CCN2CCc3ccc(O)cc3CC2)CCCCC1 591017655 XSXAMHXTWLRZBO-UHFFFAOYSA-N 298.430 3.657 30 20 CHED Cc1cc(C)c(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 591860152 NQBCQEJCTKSNTN-NWDGAFQWSA-N 291.782 3.771 30 20 CHED N#C[C@H]1CC[C@@H](NC2(c3ccccc3Cl)CC2)C1 592391748 HQUYONBWTSBPNV-NWDGAFQWSA-N 260.768 3.611 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 593738031 KSXBOHTWWYTVOW-ZLDLUXBVSA-N 290.794 3.642 30 20 CHED CC[C@H](C#N)N(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 594096864 CPWCBUPLBSUTSA-HARIEKMUSA-N 288.435 3.744 30 20 CHED Cc1ccsc1[C@H](C)NCCc1ccc(C#N)cc1 595057823 XMZMXRXYUJIZFS-ZDUSSCGKSA-N 270.401 3.822 30 20 CHED C=CCCOCC(=O)N(c1ccccc1)C1CCCC1 595298605 IJDHOXFUWRVLCK-UHFFFAOYSA-N 273.376 3.555 30 20 CHED Cc1ccc(-c2cc(CN(C3CC3)[C@H](C)C#N)on2)cc1 595714559 VTGRSUWCLSJYQM-CYBMUJFWSA-N 281.359 3.527 30 20 CHED C[C@@H](C#N)N(Cc1csc(-c2ccsc2)n1)C1CC1 595714765 ZZEYFIFYSONANG-JTQLQIEISA-N 289.429 3.748 30 20 CHED N#CC[C@@H]1CCCN(c2ccnc3cc(F)ccc23)C1 596331596 RWCFDPMWYYTXID-LBPRGKRZSA-N 269.323 3.504 30 20 CHED C=CCC1(NC(=O)NCC2CCC(C#N)CC2)CCCC1 596596846 WAHHQIRQYCYYBN-UHFFFAOYSA-N 289.423 3.504 30 20 CHED CCN(C(=O)CC1(C#N)CCCCC1)C1CCCC1 596821181 FWHXMMKIROXGJN-UHFFFAOYSA-N 262.397 3.642 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc(C2CC2)cc1 597145583 AMKCPGZKDCUQRX-UHFFFAOYSA-N 284.403 3.966 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)N1CCC[C@H](CC#N)C1 597908253 PMOKWBQVOQCXAF-HUUCEWRRSA-N 276.424 3.745 30 20 CHED Cc1oc(C#N)cc1C(=O)N1c2ccccc2C(C)(C)[C@@H]1C 598273524 FZDFGVZEYQUZNH-LBPRGKRZSA-N 294.354 3.786 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1nc(C)cc(C)c1C#N 598858396 NKCYUIXMNCPJEV-GFCCVEGCSA-N 273.380 3.581 30 20 CHED CCN(C(=O)c1ccccc1CCC(F)(F)F)[C@@H](C)C#N 598881355 BDJVRYXMROFVRP-NSHDSACASA-N 298.308 3.556 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3ccc(Cl)cc32)C1 599095447 UYZYNKQYKZBEIQ-DIOULYMOSA-N 274.795 3.999 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1C[C@@]1(C)C(C)C 602387951 UFFKDJBZCFSMSY-YOEHRIQHSA-N 288.366 3.673 30 20 CHED C[C@H](CCC#N)CNc1cccc(-c2ncco2)c1 602495617 HBZAKUKSJAOWST-GFCCVEGCSA-N 255.321 3.693 30 20 CHED CC[C@@H]1c2ccsc2CCN1CC1(CC#N)CC1 602762473 JHBFPFJPGKCHTJ-CYBMUJFWSA-N 260.406 3.751 30 20 CHED N#Cc1c[nH]c2c(F)ccc(F)c2c1=NC[C@@H]1CC=CCC1 610274277 HCTYNRMSZULYQO-LLVKDONJSA-N 299.324 3.575 30 20 CHED C[C@H](NC(=O)c1cc2occc2s1)c1cccc(C#N)c1 610363680 YOZIDZDRCYQXHR-JTQLQIEISA-N 296.351 3.857 30 20 CHED CC(C)CCn1cccc1CN1CCC(CC#N)CC1 611622781 HRFPADAAHCKSHL-UHFFFAOYSA-N 273.424 3.660 30 20 CHED CCCCc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1 612236524 IIIJNKMBPYNYMV-GOSISDBHSA-N 284.403 3.795 30 20 CHED CC(C)Cc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 612238190 QMFZFIMKZLAZOF-SFHVURJKSA-N 284.403 3.651 30 20 CHED C=CCCNC(=O)c1cc(Cl)ccc1SCC 617616299 QCYBLXQAGQPLQJ-UHFFFAOYSA-N 269.797 3.758 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2cc3ccccc3o2)C1 617785035 CFJGQVIEQNRYRC-AWEZNQCLSA-N 283.371 3.790 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(Cl)cc1 618731224 PGXGSLQSMYQFRK-MRXNPFEDSA-N 296.757 3.629 30 20 CHED Cc1ccncc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 618802379 JFEDBKBNUKTKGX-UGSOOPFHSA-N 277.371 3.600 30 20 CHED C=C[C@H](CC(=O)N1CCC(C)(F)CC1)c1ccccc1 634359656 GOTDJEXGNIPNAI-CQSZACIVSA-N 275.367 3.697 30 20 CHED C=CCC1(C(=O)N2CCOCC3(CCCC3)C2)CCCC1 649442663 AZBAGLAKRQCMNP-UHFFFAOYSA-N 291.435 3.542 30 20 CHED C=CCC1(NCc2cnc(C3CC3)s2)CCCC1 657703540 ZSHMILRTJVCOSF-UHFFFAOYSA-N 262.422 3.999 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(F)c(COC)c2)no1 664962205 DOEFWGPGCPQUTH-UHFFFAOYSA-N 290.338 3.876 30 20 CHED C=CCCOCCCCC(=O)N[C@H](C)c1ccsc1 669860812 RFAGQXXQYFUMKN-CYBMUJFWSA-N 281.421 3.688 30 20 CHED C=C(CNC(=O)c1ccnn1C(CC)CC)c1ccccc1 673341843 ZDAFBYABRGLIAJ-UHFFFAOYSA-N 297.402 3.687 30 20 CHED C=CCN(CCc1ccccc1)Cc1n[nH]c2ccccc12 678215353 VTRYMQFVLILLGN-UHFFFAOYSA-N 291.398 3.794 30 20 CHED C=CCc1cc(CN2CCC[C@@H]2C2CC2)cc(OC)c1O 678240373 XOOOOYZAWZQNAX-MRXNPFEDSA-N 287.403 3.504 30 20 CHED C=C[C@@H](C)NC/C(C)=C/c1ccccc1OC(F)F 685618545 PCNLTYKRJSTROA-LMMOQWNQSA-N 267.319 3.855 30 20 CHED C=CCC(CC=C)C(=O)NCC(C)(C)c1ncccc1C 685819037 HKUVDHHZWLWGBH-UHFFFAOYSA-N 286.419 3.552 30 20 CHED CCCCCCCCCC(=O)N(C)C[C@@H]1CCC[C@H]1O 689275643 MIOPVOGZDPTKGY-JKSUJKDBSA-N 283.456 3.747 30 20 CHED C=CCCSCCNCc1cc2cccc(OC)c2o1 696087227 WDWWTJRQXZNQBY-UHFFFAOYSA-N 291.416 3.840 30 20 CHED C#C[C@H](NCc1csc(C(F)(F)F)c1)C(C)C 703333445 GDVHEDUOYYNZIG-JTQLQIEISA-N 261.312 3.514 30 20 CHED N#Cc1cccc(NCCc2cccc(Cl)c2)c1 705730569 BVSROLJVJPWTBF-UHFFFAOYSA-N 256.736 3.866 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1cccc(F)c1 727973128 RORHTQAVIMDJBZ-UHFFFAOYSA-N 287.294 3.878 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)cn1 728863508 VAYOGKGDXFIJFN-SFHVURJKSA-N 296.414 3.638 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 729068885 INKZUPWPADGBKC-CYBMUJFWSA-N 276.376 3.871 30 20 CHED CCCC[C@H](CCC)OC(=O)COc1ccc(C#N)cc1 730293995 ARSWILDIMPEQHV-INIZCTEOSA-N 289.375 3.839 30 20 CHED C=CCCC(CC)=NNc1ccc(Br)nc1 732712659 DSXLXCXJTKWISH-UHFFFAOYSA-N 282.185 3.988 30 20 CHED Cc1ccccc1[C@H](O)C/N=C\c1cc(Cl)ccc1O 732714209 UETCRYOUCAGMPE-BZMUBCNJSA-N 289.762 3.507 30 20 CHED CCC(C[C@@H](C)CC)=NNc1nccnc1Cl 733079605 OQSTZMPQVYHDSV-VIFPVBQESA-N 254.765 3.744 30 20 CHED CC(=NNc1cnnc2ccccc12)c1cc(C)oc1C 733748218 LXAAOJZNOQLLQK-UHFFFAOYSA-N 280.331 3.676 30 20 CHED C#Cc1cccc(NC(=S)NC[C@H](C)C(C)(C)C)c1 734308226 CLXOZKKEAVNWJW-LBPRGKRZSA-N 274.433 3.637 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCC1)c1cccc(Cl)c1 737326925 VRACIMVUBQPPPA-SNVBAGLBSA-N 263.724 3.638 30 20 CHED CC[C@@H]1CCC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 740763282 FGKDOUKMUXFLBT-RBFMNBHSSA-N 276.336 3.688 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1c1cccc(C)c1C 741489419 CJUYZHHPMKJGFY-INIZCTEOSA-N 288.460 3.891 30 20 CHED CCC(=NNc1ccccc1C(F)(F)F)[C@@H]1CCOC1 741837442 KHDDWROJIWDGFI-SNVBAGLBSA-N 286.297 3.920 30 20 CHED Cc1ccc(CC(=NNc2oc(C)nc2C#N)C2CC2)cc1 741839557 JHYBIVIEWONZJU-UHFFFAOYSA-N 294.358 3.584 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H](C)Oc1cccc(C)c1 741844686 PHOPTKPVILULSS-VCRXTVNUSA-N 299.370 3.596 30 20 CHED Cc1ccsc1/C=C1\CCc2c(O)cccc2C1=O 742434727 LZOKMSIQFIENCQ-PKNBQFBNSA-N 270.353 3.975 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc2c(c1)COC2 742436248 HXRFPFOLDZQXOB-HJWRWDBZSA-N 280.323 3.622 30 20 CHED C#CCN(C(=O)/C=C/c1ccccc1F)C1CCCCC1 743691960 CFQJSSZKGKHIEI-OUKQBFOZSA-N 285.362 3.633 30 20 CHED CCc1ccc(C=NOCc2ccc3c(c2)OCCO3)cc1 744179646 AEGAIPZOJIWLSE-UHFFFAOYSA-N 297.354 3.571 30 20 CHED Cc1ccc(SCCOC(=O)C2(C#N)CCC2)cc1C 745063127 OGDPIUMFDBGDLI-UHFFFAOYSA-N 289.400 3.633 30 20 CHED CCCCCCCCN1CC[C@@H](Cc2cnn(C)c2)C1 746677768 GXIKUZVDURPLHT-INIZCTEOSA-N 277.456 3.645 30 20 CHED CN(C)c1ccc(/C=C2\Cc3c(F)ccc(F)c3C2=O)cc1 749583230 WARMNEYBKCVSQK-FMIVXFBMSA-N 299.320 3.853 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cc(F)ccc1O 750939131 VIYQKISPFDFRCR-UHFFFAOYSA-N 276.286 3.815 30 20 CHED CCc1cccc2c1OCC[C@H]2/N=C/c1ccccc1O 750949783 JFONABBIWYJIBA-PUMYGXPMSA-N 281.355 3.897 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc3c(c2)CCN3C)cc1 751524886 FJISLXCDURJSMT-WMZJFQQLSA-N 293.366 3.584 30 20 CHED N#Cc1csc(/C=C2/Cc3c(F)cc(F)cc3C2=O)c1 751534152 BWICYQHXSFHEGL-MBXJOHMKSA-N 287.290 3.720 30 20 CHED CCCCCCCCNC(=O)N1CCCOC(C)(C)C1 755079443 UEDCNECKBKZIMS-UHFFFAOYSA-N 284.444 3.557 30 20 CHED CN(C(=O)/C=C\c1ccccc1C#N)C1CCC(C)(C)CC1 755579685 PLCAGOXGEJMJGT-HJWRWDBZSA-N 296.414 3.999 30 20 CHED Cc1cc(NN=CC[C@H](C)c2ccccc2)nc(C)n1 755647729 DBWSPPRRTQHMPR-LBPRGKRZSA-N 268.364 3.685 30 20 CHED N#Cc1cc(F)c(C(=O)OCCC2CCCCC2)c(F)c1 756294729 MLMVEHREEICKPV-UHFFFAOYSA-N 293.313 3.964 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C)cc2O)c1OC 757474644 CSTBDJIMVCVNAX-NTMALXAHSA-N 298.338 3.614 30 20 CHED C=CCCCOC(=O)c1ccc(C(F)(F)F)cc1C#N 757902483 DJFAKIFNQDFVTE-UHFFFAOYSA-N 283.249 3.700 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1c(Cl)cccc1[N+](=O)[O-] 758128913 MDGSGBJAQXVHMF-GFCCVEGCSA-N 298.726 3.515 30 20 CHED CC[C@@H]1CCCC1=NNc1nc2cc(F)c(F)cc2[nH]1 758373337 WJXOPOVXKKHOCC-MRVPVSSYSA-N 278.306 3.819 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1CC1CCCCC1 758888414 IINDUINNVZPWCI-KRWDZBQOSA-N 290.451 3.934 30 20 CHED C#CCCNC(C)(C)c1cccc(C(F)(F)F)c1 760826445 FOUQSMGMLXAKAM-UHFFFAOYSA-N 255.283 3.553 30 20 CHED C#CCCc1noc(-c2ccc(Cl)c(Cl)c2)n1 761999505 OCOYVCGPVBKSBY-UHFFFAOYSA-N 267.115 3.609 30 20 CHED CCCCCCCSCc1cc(=O)n2ccsc2n1 764642074 YXCVAFHFKAKKQZ-UHFFFAOYSA-N 296.461 3.960 30 20 CHED C(=NNc1ncnc2ccsc12)c1cc2ccccc2o1 764840711 JXGBGLHBXQUYME-UHFFFAOYSA-N 294.339 3.884 30 20 CHED Clc1cccc(Cl)c1NN=C1CCN2CCC[C@@H]12 765585342 ZBDDRSRTLGYGFR-LBPRGKRZSA-N 284.190 3.629 30 20 CHED CCC(=NO[C@@H]1CCCCO1)c1ccc2c(c1)CCCO2 765585372 ZJGFGROJOBGQIL-QGZVFWFLSA-N 289.375 3.669 30 20 CHED Cc1ccc(NC(=S)NN=C[C@H](C)CCC#N)c(C)c1 765994291 SMPIHDAUNCZQSA-GFCCVEGCSA-N 288.420 3.516 30 20 CHED C#CCCCN[C@H](C)Cc1ccc(Br)c(F)c1 766232104 FJSNBUBJUIINFE-LLVKDONJSA-N 298.199 3.522 30 20 CHED C#CCCCOc1ccc(Oc2ccccn2)cc1 766744412 XBPBORQSXSNRHP-UHFFFAOYSA-N 253.301 3.666 30 20 CHED N#Cc1ccc(Oc2ccc3c(c2)[nH]c2ccccc23)nn1 767187841 YQVYEUWGZQWNTJ-UHFFFAOYSA-N 286.294 3.775 30 20 CHED Fc1cc(F)c(C=NNCCCc2ccccc2)cc1F 767787388 UJZIGSIYSPGESW-UHFFFAOYSA-N 292.304 3.660 30 20 CHED C#C[C@H](CC)OC(=O)/C=C\c1ccc2cc(OC)ccc2c1 768064075 WJMIZPPNOMFUDT-CGICMKJESA-N 294.350 3.817 30 20 CHED O=C(/C=C\c1ccc(Br)cc1)c1cscn1 769264684 MOLPMRVOGQADQB-UTCJRWHESA-N 294.173 3.802 30 20 CHED CC(C)(C)n1cc(C=NNc2c(F)cccc2Cl)cn1 769827233 SEEUUTUQBRJLLE-UHFFFAOYSA-N 294.761 3.877 30 20 CHED C[C@@H](Cc1ccccc1Cl)Nc1cnccc1C#N 769855835 VKEAQXIIUKSALD-NSHDSACASA-N 271.751 3.650 30 20 CHED CON=Cc1ccc(SCc2ccccc2)cc1 771877777 XZJXVFDNFWXAPZ-UHFFFAOYSA-N 257.358 3.959 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1cc(F)cc(Cl)c1 773163339 XDBVVNIVKCOURO-LHHJGKSTSA-N 298.704 3.843 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1ccc(Cl)cn1 774384981 JBPRRLUTPFRRDF-UHFFFAOYSA-N 297.749 3.514 30 20 CHED CC(C)c1ncc(/C=C\C(=O)c2cscn2)s1 776191028 DYBVEFDRRKEFQH-ARJAWSKDSA-N 264.375 3.619 30 20 CHED O=C(/C=C/c1nc2c(s1)CCCC2)c1cccc(O)c1 776267357 XWRDDYIFDWVXTF-CMDGGOBGSA-N 285.368 3.624 30 20 CHED C=CCSc1ccccc1C(=O)OCC(=O)C(C)(C)C 777076542 SGDMWPDQJARFGX-UHFFFAOYSA-N 292.400 3.737 30 20 CHED Cc1nc2c(s1)C(=NNc1cc(Cl)ccn1)CCC2 777907154 OORZUQYYRWFYJR-UHFFFAOYSA-N 292.795 3.652 30 20 CHED COc1ccc2nc(NN=CC(C)C)c(C)cc2c1 777913451 LYWNIAGECJUXHZ-UHFFFAOYSA-N 257.337 3.606 30 20 CHED Fc1ccc2oc(C=NNc3ccnc(F)c3)cc2c1 781132668 GMAZBIIGVWRJOX-UHFFFAOYSA-N 273.242 3.552 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccccc1Cl 782006866 OXCBZGGHEIWQIB-UHFFFAOYSA-N 265.740 3.827 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cc(F)c(F)cc1F 782285585 DXLVBBZNUYUIAL-CYBMUJFWSA-N 270.298 3.606 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)/C=C\c1ccc[nH]1 782332874 PNZKCCBKNKYLQL-KTKRTIGZSA-N 294.354 3.572 30 20 CHED C=CCCCCCOC(=O)c1cc(N)ccc1Cl 783256152 JLPMVHPICASUKW-UHFFFAOYSA-N 267.756 3.825 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NNc2ncncc2Cl)C1 783523808 KRBKJAUUDXURGB-SSDOTTSWSA-N 292.692 3.650 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C\c1nc2ccccc2s1 785856429 FWWWURQEQAKMGZ-OEYXZAGESA-N 298.411 3.877 30 20 CHED C#Cc1ccc(CNc2cccc(-c3cc[nH]n3)c2)cc1 787769771 INFUOJMUGHIYIS-UHFFFAOYSA-N 273.339 3.670 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C(/C)C(C)(C)C 787939509 ZTSGRRABZNEQOK-SEYXRHQNSA-N 264.413 3.910 30 20 CHED C#CCC1(C(=O)N[C@@H](C)COc2ccccc2)CCCCC1 788171247 JTTJQGUUXOKLLT-INIZCTEOSA-N 299.414 3.544 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](c1ccccc1)C1CCC1 791018728 CBGFOBQCKICMAX-IRXDYDNUSA-N 284.403 3.629 30 20 CHED Cc1ccc(COC(=O)c2ccc(F)c(C#N)c2)cc1C 792306786 MBCCARKSRJILTB-UHFFFAOYSA-N 283.302 3.671 30 20 CHED Cc1c(NN=C[C@]2(C)CCCS2)cccc1[N+](=O)[O-] 793003870 DWOCTNJXRCRUTC-ZDUSSCGKSA-N 279.365 3.587 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1c(C)cc(C)cc1O 793110983 DUQJIKNUAMASPU-CYBMUJFWSA-N 262.397 3.757 30 20 CHED C[C@H]1CCC(=NNc2cccc(Cl)n2)[C@@H](C)C1 793174959 OVFTWQXAGVNZMV-UWVGGRQHSA-N 251.761 3.959 30 20 CHED Cc1cc(C#N)ccc1CN1CCn2c(Cl)ccc2[C@H]1C 794442397 GYETZZRUFBTRDJ-CYBMUJFWSA-N 299.805 3.898 30 20 CHED Cc1cc(C)cc(NN=Cc2c(F)ccc(O)c2F)c1 794484585 WGPWLLXVVMFJCX-UHFFFAOYSA-N 276.286 3.733 30 20 CHED O=C(/C=C/c1cc2ccccc2o1)c1ccnc(F)c1 794718759 LBQDKMNKZVNVCZ-AATRIKPKSA-N 267.259 3.863 30 20 CHED CCC(CC)CN(CCC#N)CC[C@@H](O)c1ccccc1 795926661 HRMBZJQQWRCNSM-GOSISDBHSA-N 288.435 3.762 30 20 CHED C=CCC(C)(C)C(=O)OCCCCC(F)(F)F 796462731 FGCOZLPAMLTGEO-UHFFFAOYSA-N 252.276 3.865 30 20 CHED C=CCC(C)(C)C(=O)OCc1coc(-c2ccccc2)n1 796464016 YHRKZZXFDVRINA-UHFFFAOYSA-N 285.343 3.987 30 20 CHED CC[C@@H](C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797569167 NUHHRKNSHDBXAI-ZJUUUORDSA-N 264.394 3.663 30 20 CHED CCc1cc(C#N)ccc1OC(=O)/C=C\c1cnc(C)s1 799443814 AGCVOMIAINMJFU-ALCCZGGFSA-N 298.367 3.504 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1C#N 799494456 BSUDXLATFJFVNB-VURMDHGXSA-N 281.286 3.602 30 20 CHED COc1ccc(/C=C2/CCc3c(OC)cccc3C2=O)cc1 799502404 LFTZXNZRINZZOW-OWBHPGMISA-N 294.350 3.916 30 20 CHED CC#CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 801150581 BNDSKFSRHTVPMR-MRXNPFEDSA-N 275.779 3.711 30 20 CHED Cc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1O 802656804 QXVHVJNGIUARKH-UHFFFAOYSA-N 286.762 3.516 30 20 CHED C=CCCCCCCCCNC(=O)N(C)C1CCOCC1 805136683 NLIQEBLACQGJIG-UHFFFAOYSA-N 296.455 3.724 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(SC(F)F)cc1 806080827 QRMKJMVJOIVMOF-SECBINFHSA-N 284.331 3.535 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1F)c1ccnc(O)c1 806556719 YDSOZUNZEASYBR-HSFFGMMNSA-N 287.265 3.518 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cccc(C(=O)O)c2)cc1 806559282 YOOMGNMTCGWZPC-FLIBITNWSA-N 296.322 3.680 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(C(C)(C)O)cc1 807979223 OJJCBAOBHPJOEA-UHFFFAOYSA-N 286.350 3.808 30 20 CHED C[C@H]1CC(=NNc2nccnc2C2CCC2)C[C@H](C)C1 807991964 WOJPOXFRSKRASY-VXGBXAGGSA-N 272.396 3.968 30 20 CHED C#Cc1ccc(CNc2ccc(NC(C)=O)c(C)c2)cc1 809597057 HMFCUVOBFFRFMN-UHFFFAOYSA-N 278.355 3.547 30 20 CHED C#Cc1ccc(CN[C@H]2Cc3ccc(Cl)cc3C2)cc1 809662069 ZHVCOKFGTIGNSG-SFHVURJKSA-N 281.786 3.578 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CCCSC2)n1 810606572 YPRKICNDLWICJO-WDEREUQCSA-N 294.445 3.586 30 20 CHED C=CCCCCOC(=O)[C@@H](CC)OC1CCCC1 811011635 GJAMWRCOLRBJQO-CQSZACIVSA-N 254.370 3.624 30 20 CHED C=CCCCCOC(=O)Cc1c[nH]c2cccc(OC)c12 811012929 CLTCUFYLMSGXOG-UHFFFAOYSA-N 287.359 3.619 30 20 CHED Fc1cc(Br)ccc1C=NOC/C=C\Cl 811668291 MLFKATBLKKZUSR-YHHAPTPFSA-N 292.535 3.691 30 20 CHED C=CCCCCCCCNC(=O)N[C@@H](C)c1ccc[nH]1 811899225 RNKBTHNULPUMSB-AWEZNQCLSA-N 277.412 3.902 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1sccc1OC 812242788 VEYVGOZKPVMQHQ-HYXAFXHYSA-N 292.331 3.801 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccc(F)cc1 814693452 QMZKEHRKZOIQKG-CYBMUJFWSA-N 259.328 3.943 30 20 CHED COc1cccc(NN=C(C)c2ccc(C)nc2C)c1 814778606 NNZKKKRMFUNTGR-UHFFFAOYSA-N 269.348 3.543 30 20 CHED CCC(CC)NN=C(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 814851795 VGDVDRINAYIUGI-AWEZNQCLSA-N 297.443 3.540 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1cc(Cl)nc(C)n1 814856033 YRYYWDXTLXLFBL-UHFFFAOYSA-N 292.745 3.608 30 20 CHED Brc1ccc(C=NOC2CCCCC2)o1 814910066 POYXLFFCTZCDQD-UHFFFAOYSA-N 272.142 3.725 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CC[C@@H]1C1CCC1 814934182 NZHXWSYKSWOOIW-XJKSGUPXSA-N 272.392 3.610 30 20 CHED Cc1cc(C#N)cnc1C(=O)OC[C@H]1CCCC(C)(C)C1 815991273 XBMPOCBWXSMZLX-ZDUSSCGKSA-N 286.375 3.635 30 20 CHED Cc1ccc(NN=Cc2cncn2C(C)C)c(Cl)c1 819814146 XHDWOGOXNIRUKI-UHFFFAOYSA-N 276.771 3.872 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H](CC(F)(F)F)C1 823077353 LCQMZWQBTAPWKR-NEPJUHHUSA-N 277.330 3.780 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](O)c1cccc(F)c1 823737016 REJZPTZGACHUDF-CJNGLKHVSA-N 265.372 3.584 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1cc(C2CC2)nn1C 826795987 GAZLEKCJFMRUMR-CZUORRHYSA-N 273.424 3.522 30 20 CHED C[C@@H](C#N)OCCSC1CCC(C(F)(F)F)CC1 829931295 KRJARHSDWQFEQP-WHXUTIOJSA-N 281.343 3.769 30 20 CHED CC(C)C#CC(=O)N1CC=C(c2cccc(Cl)c2)CC1 834807373 AXOUFDMQYFFOHK-UHFFFAOYSA-N 287.790 3.615 30 20 CHED C=C(CC)CN[C@H](C)c1cc(Br)ncc1F 834904294 WOHMDDBIMYWYIG-SECBINFHSA-N 287.176 3.600 30 20 CHED CC/C(C)=C/C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 835041725 ZWCWVFAZYHJORU-MARXPDLDSA-N 294.354 3.724 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1C(C)(F)F 836728244 XHAVWAQMFBATJD-UHFFFAOYSA-N 280.318 3.723 30 20 CHED C#CCC[C@H](C)OC(=O)c1cccc(Br)c1F 839037516 CRTHMMYOKQDXJB-VIFPVBQESA-N 299.139 3.547 30 20 CHED CC(C)CO[C@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839436453 YDFFRZWICDHKHO-CYBMUJFWSA-N 296.370 3.711 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1ccsc1 840749766 OVRCCWOJVPFYQO-UHFFFAOYSA-N 254.424 3.637 30 20 CHED Cc1ccc(C)c(OCCOc2cccc(OCC#N)c2)c1 842108078 FCVXENGDKLMFQY-UHFFFAOYSA-N 297.354 3.664 30 20 CHED CCOCCON=C1CCCc2ccc(SC)cc21 842529529 BMGCQSVIQSBVLJ-UHFFFAOYSA-N 279.405 3.502 30 20 CHED C=CCN(CC=C)C(=O)CSc1nc(C(C)C)cs1 845328366 PLPVMAGRTATXRB-UHFFFAOYSA-N 296.461 3.559 30 20 CHED C=C[C@H](C)ONC(=O)c1ccc(Cl)cc1C(F)(F)F 846547863 GSPSWDUHZJBUMB-ZETCQYMHSA-N 293.672 3.595 30 20 CHED C[C@H](OC(=O)c1ccc(C(F)F)cc1F)C(C)(C)C#N 847666703 AZUUPPRTHQOCKF-QMMMGPOBSA-N 285.265 3.858 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/Cc2ccc(Cl)cc2C1=O 849246037 DRINVNDGBGKDGL-GHXNOFRVSA-N 298.773 3.773 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C=C(C1CC1)C1CC1 851212918 XDCHXSLHOFZYDB-LLVKDONJSA-N 261.365 3.604 30 20 CHED C=CC[C@@H](NC(=O)N(CC)[C@H](C)CC)c1ccncc1 853746203 GKSZRKXJXBUFNY-UKRRQHHQSA-N 275.396 3.529 30 20 CHED CC/C(=C\C(=O)N(C1CC1)[C@@H](C)C#N)c1ccc(C)cc1 855582606 LBVNDHOVNLWWJM-AYYGCFCKSA-N 282.387 3.692 30 20 CHED C#CCCOC(=O)N1CCCc2ccc(Cl)c(C)c21 858998342 PZVDNWSMQZPABH-UHFFFAOYSA-N 277.751 3.561 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 859858494 CVUPBHIZZIPBFV-GVDBMIGSSA-N 297.398 3.836 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C\c1ccc(SC)s1 861512646 OEFQWUQDQGEQBF-DVBBHNHCSA-N 281.446 3.954 30 20 CHED Cc1ccccc1C=NNCCCOCc1ccccc1 863178104 BJDSYOQRTSMLER-UHFFFAOYSA-N 282.387 3.525 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H](C)c2cnc(C)s2)c1 864347484 RGASSZFWYRHGAU-LYQMGENXSA-N 290.388 3.736 30 20 CHED CON=Cc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 864969604 UAKZKWHBLZEJCE-UHFFFAOYSA-N 282.343 3.536 30 20 CHED Cc1c(Cl)cccc1C=NNCCC(F)(F)F 872370379 YVEXLPLRMYECTQ-UHFFFAOYSA-N 264.678 3.524 30 20 CHED C=CC(C)(C)CC(=O)N1CC(Cc2ccc(F)c(F)c2)C1 879117860 GQFKRSBKFINPHF-UHFFFAOYSA-N 293.357 3.568 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2cc(Cl)ccc2C1 879719885 VPMUNHHOWYKPBJ-UHFFFAOYSA-N 277.795 3.827 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@H](CF)C1 881601420 JFBNDVDUXAWCNX-CYBMUJFWSA-N 293.407 3.786 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2ccccc2OC(C)C)n1 881812325 FXUBGQXJIPHJDK-GFCCVEGCSA-N 296.374 3.617 30 20 CHED C[C@@H](NCC1CCC(C#N)CC1)c1c(O)cccc1F 886605468 RNSQPRVBLMETEL-PNESKVBLSA-N 276.355 3.512 30 20 CHED C=C1CCN(C(=O)N[C@H](CC)c2cc(F)ccc2F)CC1 893142459 CBRHUKJCMZODLN-OAHLLOKOSA-N 294.345 3.778 30 20 CHED COc1ccc2cc(CN3CCC[C@@H](C#N)C3)ccc2c1 896503488 PUSPDHQYRCFGCW-HNNXBMFYSA-N 280.371 3.584 30 20 CHED C=C1CC(c2noc([C@@H](C)Cc3ccccc3)n2)C1 896876058 AGJTVIQWAXKPRU-LBPRGKRZSA-N 254.333 3.849 30 20 CHED C#Cc1ccc(NCc2c(C)nn(CCC)c2C)cc1 898504093 BZHAZVRSNKLPIR-UHFFFAOYSA-N 267.376 3.503 30 20 CHED C=CCC1(O)CCN(C(=O)[C@H](CC)CCCCC)CC1 899590532 GOBXHTBSGIIOKD-OAHLLOKOSA-N 281.440 3.523 30 20 CHED Cc1cncc(C(=O)N(O)Cc2cccc3ccccc23)c1 900091545 AQFAEKUMGHZNST-UHFFFAOYSA-N 292.338 3.575 30 20 CHED CCCOc1cccc(/C=C2/C(=O)c3nccn3[C@@H]2C)c1 901560994 PGSJEFXEARGMLG-PKVLTRFUSA-N 282.343 3.513 30 20 CHED N#CC1(CCSCCOC2CC2)CCCCC1 902579988 HNJYNEWONQILBC-UHFFFAOYSA-N 253.411 3.763 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 904238213 HTRASISAWQSESI-CYBMUJFWSA-N 289.338 3.954 30 20 CHED Cc1ccc(C#N)cc1-c1cncc(OC(C)C)c1 906195326 DLTNARBHFMNBSG-UHFFFAOYSA-N 252.317 3.716 30 20 CHED C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 912345529 WFWCPFLYOCPACR-WFASDCNBSA-N 294.826 3.543 30 20 CHED CCCCCCCCn1nc(C)c([N+](=O)[O-])c1C 915668338 XATWHDMCCIJKHC-UHFFFAOYSA-N 253.346 3.769 30 20 CHED Cc1cc(C)c(C=NNc2nc3ccccc3[nH]2)cc1C 915915396 FRRIUQZDTNWCAS-UHFFFAOYSA-N 278.359 3.934 30 20 CHED CCC(C[C@H](C)CC)=NNC(=S)NCc1ccccc1 915942485 BTJXHJGKYHWKPN-CYBMUJFWSA-N 291.464 3.853 30 20 CHED CCCCCNC(=S)NN=C(CC)c1cccs1 916621054 SEYSQBYVMNVIRM-UHFFFAOYSA-N 283.466 3.517 30 20 CHED N#Cc1cccc(C=NNc2cccc3c2CCCC3)c1 917553500 XYNIXDZPLCJFRP-UHFFFAOYSA-N 275.355 3.883 30 20 CHED Cc1cc(C/N=C\c2cc(Cl)cc(Cl)c2O)no1 920386862 HHYVGEWGFAVFBX-WCSRMQSCSA-N 285.130 3.615 30 20 CHED CCN(CC)c1ccc(/C=N/Cc2cccs2)c(O)c1 920942274 VHWFILNNQAIORV-GZTJUZNOSA-N 288.416 3.919 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CSc2ccccc21 925092099 HNDIVQZPVWYHFN-YPMHNXCESA-N 260.406 3.751 30 20 CHED CC(C)[C@H](CN[C@H](C)CC(C)(C)C#N)c1cccnc1 925233770 HWGNZOSWBOKYGK-ZBFHGGJFSA-N 273.424 3.739 30 20 CHED Cc1occc1CN(C)CCCCC1(C#N)CCC1 929335319 ISKRUQSZRZKKKK-UHFFFAOYSA-N 260.381 3.884 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1ccccc1OC 931797656 YJUCAAGMWKMRTO-ZBFHGGJFSA-N 287.403 3.961 30 20 CHED C=C1CCN(C(=O)CCc2ccc(SC)cc2)CC1 932036847 KBCIPUNLBUZCNW-UHFFFAOYSA-N 275.417 3.520 30 20 CHED CCC1CCC(N(C)C(=O)c2cc(C#N)ccc2C)CC1 1124927795 YEURAIQCZDLGOH-UHFFFAOYSA-N 284.403 3.908 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)ccc1F)c1ccccc1F 1127770526 XELBEKZVAXHIFX-SNVBAGLBSA-N 287.265 3.754 30 20 CHED C=C(Br)CNCc1ccc(OCC(C)C)cc1 1177741709 CASLFAOQNJNNMP-UHFFFAOYSA-N 298.224 3.720 30 20 CHED CC(C)(CNc1ncccc1C#N)C1CCCCC1 1185838953 UJTIAORFJUBFKN-UHFFFAOYSA-N 257.381 3.972 30 20 CHED C[C@H](c1ccc(C(C)(C)C)cc1)N1CC[C@@](F)(C#N)C1 1193430019 CRCBBOUMWWLBNL-CXAGYDPISA-N 274.383 3.983 30 20 CHED N#C[C@@H]1CCCN(CCCc2ccccc2Cl)C1 1197620631 AVYIFZONDLOHGY-ZDUSSCGKSA-N 262.784 3.508 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC[C@@H]2C2CC2)c(F)c1 1202810832 BWZQCQMWZNDRPX-GDBMZVCRSA-N 272.367 3.613 30 20 CHED CC[C@H](CC(=O)N[C@@H](C#N)C1CCCC1)c1ccccc1 1262108417 OWSSMNUGGGMBCF-PBHICJAKSA-N 284.403 3.769 30 20 CHED Cc1ncc([C@@H](C)Nc2cccc(F)c2C#N)s1 1307186337 ZKPWOSRHQVHJMX-MRVPVSSYSA-N 261.325 3.635 30 20 CHED C/C(=C/Cl)CSCCC(=O)Nc1cccc(C#N)c1 1321592814 VEEGJHBELWKFRT-FLIBITNWSA-N 294.807 3.763 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(Oc2ccccc2)o1 1322950752 DAAGQICHDJMLOP-UHFFFAOYSA-N 295.338 3.557 30 20 CHED C[C@H](CCC#N)N1CCC(c2nc3ccccc3o2)CC1 1325511018 LKZDFXXOPRDNIS-CYBMUJFWSA-N 283.375 3.699 30 20 CHED C[C@@H]1CC/C(=C/c2nnc(-c3ccc(C#N)cc3)o2)C1 1326972190 GSBSQKAETIKPLP-NASPGAHYSA-N 265.316 3.812 30 20 CHED C[C@H](CC(=O)N[C@@H](C#N)C1CCCC1)c1ccccc1F 1331522507 WQTAOBCOZDWXST-WBMJQRKESA-N 288.366 3.518 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)c1csc(C#N)c1 1333672542 NPDLQULIPVOODU-NSHDSACASA-N 282.368 3.601 30 20 CHED C=C(C)CCC(=O)N1CCC(c2ccccc2)CC1 1336976101 XXFYPDSEGBPKED-UHFFFAOYSA-N 257.377 3.749 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2ccc(F)cc2s1 1340890804 CPXKZDDINJRNBA-LBPRGKRZSA-N 290.363 3.805 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1CC[C@@H](C2CC2)C1 1342042632 BVRVOXBMDBHXIK-MRXNPFEDSA-N 298.434 3.524 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc(C(F)F)cc2F)C1 1342711677 SGRFDUHKJNJLNJ-WPRPVWTQSA-N 283.249 3.612 30 20 CHED N#Cc1ccc(CNc2nc(-c3ccccc3)cs2)nc1 1342821239 SPBFDJCSPQRDCI-UHFFFAOYSA-N 292.367 3.689 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2coc3ccc(Cl)cc23)C1 1344687818 UYXYEZNPSWRYJW-ONGXEEELSA-N 289.718 3.935 30 20 CHED C=C(CC(C)C)C(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1346751292 BVEQFAQXIPYJQU-HNNXBMFYSA-N 289.423 3.560 30 20 CHED CC[C@H](C)[C@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1348882832 PVQPRTWFKNTLKZ-QWRGUYRKSA-N 255.321 3.758 30 20 CHED N#CC1(CC(=O)OCCc2cccs2)CCCCC1 1350126956 XMOYNKFWAKWESN-UHFFFAOYSA-N 277.389 3.698 30 20 CHED Cc1coc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1C 1357664919 WPLSZWNZLDMHJS-LLVKDONJSA-N 288.372 3.966 30 20 CHED C=C(C)CCC(=O)N1CCC(C(=O)c2cccs2)CC1 1358011395 QXNONSRSHZFDBB-UHFFFAOYSA-N 291.416 3.526 30 20 CHED CCc1ccc(F)cc1C(=O)N(CCC#N)CC(C)(C)C 1359888159 WGKQVGSVHLNAJE-UHFFFAOYSA-N 290.382 3.790 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCc1ccco1 1472640081 RMRIWONLFLXMIY-UHFFFAOYSA-N 283.718 3.965 30 20 CHED Cc1cc(CNc2nc(C#N)c(Cl)s2)cc(C)c1O 1472660275 NEKMCKRDQCDCBS-UHFFFAOYSA-N 293.779 3.603 30 20 CHED CC1(CCNc2c(Br)cccc2C#N)CC1 1472775252 PTGFLBUAIWGLJQ-UHFFFAOYSA-N 279.181 3.923 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)Cc1cc(C#N)ccc1OC 1473389697 WIHFUHHRNGKKFU-DOTOQJQBSA-N 286.419 3.967 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccc(Cl)cn1 1474083546 WLVZIUCGMVTLGK-LLVKDONJSA-N 287.750 3.638 30 20 CHED CCC[C@H](CC)NC(=O)Nc1scc(C)c1C#N 1476559409 UWYRCTNAXRLXRR-JTQLQIEISA-N 265.382 3.628 30 20 CHED Cc1scc(C(=O)O[C@@H](CC#N)c2ccco2)c1C 1520425219 LKMDIYVSNLCUDY-ZDUSSCGKSA-N 275.329 3.770 30 20 CHED CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 1521858396 KHDIMHKCDOJTDD-CZUORRHYSA-N 285.391 3.593 30 20 CHED Cc1ccc2[nH]c(C(=O)O[C@H](C#N)C(C)C)c(Cl)c2c1 1524688262 CIIXXDXWVKUGGM-GFCCVEGCSA-N 290.750 3.835 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H]1CCCC(F)(F)C1 1527618831 ODGQLDBZXSGKNQ-STQMWFEESA-N 286.366 3.705 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2F)ccc1Oc1ccccc1 1529906440 CTNARNMGCQVEEP-CABCVRRESA-N 296.301 3.647 30 20 CHED CCN(C(=O)c1cccc(Oc2ccccc2)c1)[C@@H](C)C#N 1533560333 MRQDNPAVJYLGQL-AWEZNQCLSA-N 294.354 3.853 30 20 CHED C#CCCCCCCSc1cccc(-c2nn[nH]n2)c1 1588345891 OWIAKBCXEOLUDL-UHFFFAOYSA-N 286.404 3.543 30 20 CHED C=CCCC[C@@H](NC(=O)C(C)(C)C1CCCCC1)C(=O)O 1588786601 QCJKVGAVCZUWLV-CQSZACIVSA-N 295.423 3.519 30 20 CHED CC[C@@H](C)CCC(=O)Nc1cc(C#N)c(F)cc1F 1597373326 KAGSCIDTWUTFOP-SECBINFHSA-N 266.291 3.601 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@@H]2CC2CCCCC2)n1 1611889061 HPTPGAMCDAIQDE-MRXNPFEDSA-N 284.407 3.596 30 20 CHED Cc1c(Cl)cnc(SCc2ccncc2)c1C#N 1640459140 QGUDSIXAFVMRJH-UHFFFAOYSA-N 275.764 3.602 30 20 CHED N#Cc1ccc(SCc2ccc(C#N)s2)c(F)c1 1652674039 RROMNJKAUSTOSB-UHFFFAOYSA-N 274.345 3.923 30 20 CHED N#Cc1cc(N(CC2CC2)C2CCCCC2)ccn1 1655095201 FKRJKLZWOXZYTI-UHFFFAOYSA-N 255.365 3.502 30 20 CHED CCC1(CC)CCCN(Cc2cccc(C#N)n2)CC1 1657781915 SJPOIRICMFUVMI-UHFFFAOYSA-N 271.408 3.746 30 20 CHED CCC1(CNC(=O)Nc2cc(F)cc(C#N)c2)CCCC1 1672409992 GHIIODYCJPCLBE-UHFFFAOYSA-N 289.354 3.789 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1cccc(-c2ccccc2)c1 1776149189 QATQOMBXDUCEQZ-SFHVURJKSA-N 295.382 3.863 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCC1(C(F)F)CC1 1776782332 JIVCYAYMPBMGCW-LBPRGKRZSA-N 291.382 3.825 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1ccc(C(=O)O)c(F)c1)C2 1777455637 HSUFXGWQULXXHC-QPEQYQDCSA-N 296.297 3.655 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccc(C#N)cc1 24717886 XDYIQCOROGXQOX-CSKARUKUSA-N 277.323 3.771 30 20 CHED C=CCc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 29124433 COHPXYZHCIVQHU-UHFFFAOYSA-N 282.339 3.951 30 20 CHED N#CCc1ccc(NCc2ccc(F)cc2F)cc1 37071257 AAFLDYNGXKAFKG-UHFFFAOYSA-N 258.271 3.643 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1ccc(C#N)cc1 45082711 XTTFHALCZXDTDX-RHSMWYFYSA-N 284.403 3.528 30 20 CHED CC(C)(C)c1ccc(C(=O)NCc2cccc(C#N)c2)cc1 45213375 NYKUUGFHLNCNAQ-UHFFFAOYSA-N 292.382 3.786 30 20 CHED N#Cc1ccc(OCCOc2ccccc2C#N)c(Cl)c1 47354250 MMHDMYMEIPGMIC-UHFFFAOYSA-N 298.729 3.541 30 20 CHED C=CCN(CC=C)C(=O)CCSc1ccc(C)cc1 47465533 RSMMERPVBZXRHL-UHFFFAOYSA-N 275.417 3.678 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@@H]1CCCCO1 49212536 MOKKGBRILSSODQ-QCUKBLKESA-N 269.344 3.533 30 20 CHED CCc1ccccc1CNc1cccc(OCC#N)c1 52202144 IRNHKSXEXCLBRD-UHFFFAOYSA-N 266.344 3.763 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1ccc(C#N)cc1 55617044 YPDAIWUUOHBYDJ-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CCCOCC(=O)Nc1cccc(C#Cc2cccs2)c1 65542408 SFZRWRCNSBMMPL-UHFFFAOYSA-N 299.395 3.513 30 20 CHED Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)c(Cl)c1 70158511 PNSIZMTZJAQQMP-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CC(C)CCN(CCC#N)C[C@H](O)c1cccc(Cl)c1 72691544 VDZAVFGVRQRBNL-INIZCTEOSA-N 294.826 3.635 30 20 CHED CCCC[C@H](CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 75276391 RINNTUSFQXMJJH-ZFWWWQNUSA-N 272.392 3.952 30 20 CHED CC(C)(C#N)C(=O)Oc1ccc(OCc2ccccc2)cc1 76321638 AHJZGYKRSDYTIL-UHFFFAOYSA-N 295.338 3.721 30 20 CHED CCN(CCC#N)Cc1csc(-c2ccccc2)n1 81017908 FDOIYBUAQGZSRR-UHFFFAOYSA-N 271.389 3.546 30 20 CHED N#CCN(CCSc1ccccc1)C1CCCC1 84222365 MZVHKRIGTPAUOL-UHFFFAOYSA-N 260.406 3.547 30 20 CHED Cc1ccc(F)c(OCc2cc(C#N)ccc2F)c1 85555784 FZGJEGPXKJDNST-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cccc(Br)c1 88249670 MLLMZBBGRNAMRF-LLVKDONJSA-N 293.208 3.794 30 20 CHED Cc1cc(Br)ccc1OCC1(CC#N)CC1 88255545 SWNJSNBNFXENFE-UHFFFAOYSA-N 280.165 3.830 30 20 CHED Cc1ncsc1CNc1ccc(C#N)cc1Cl 109369681 QVHOSBWFTDGANH-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CCCCCCCCC(=O)Nc1cc(OC)ccc1N 115859280 VWBRGQWIIDAETQ-UHFFFAOYSA-N 278.396 3.967 30 20 CHED C[C@H](CC(=O)NCc1ccc(C#N)cc1)c1cccc(F)c1 115987939 KUIPADLPMLYVFM-CYBMUJFWSA-N 296.345 3.507 30 20 CHED C=CC[C@H](C)NC(=O)CCc1nc(C)c(-c2ccccc2)o1 116853396 BSHCYYDFOXERPO-ZDUSSCGKSA-N 298.386 3.663 30 20 CHED C=CC[C@@H](C)NCc1csc(Br)c1 116926364 BDLRYXPNJRZVSG-MRVPVSSYSA-N 260.200 3.565 30 20 CHED Cc1ccncc1NCc1cccc(OCCCC#N)c1 119040233 DHUZNKRCGYRZQH-UHFFFAOYSA-N 281.359 3.685 30 20 CHED COCCOc1cc(C)ccc1NCc1cccc(C#N)c1 119782454 DJPNJVHWPLFMLJ-UHFFFAOYSA-N 296.370 3.504 30 20 CHED CCCOc1ccc(NCc2ccc(C#N)o2)c(C)c1 120914509 BCUBCVXTLKRXSN-UHFFFAOYSA-N 270.332 3.861 30 20 CHED C=CCC[C@@H](NCCc1nc(C)c(C)s1)C1CC1 121699157 VMCOLSYPWBLWNM-CQSZACIVSA-N 264.438 3.637 30 20 CHED CCCCCCCn1cnc2nc(SC)sc2c1=O 125771375 BOPZCOGQROYWOM-UHFFFAOYSA-N 297.449 3.545 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cnn(C)c1)CCO2 130163852 XNDUKMOPBRMUGQ-NVNXTCNLSA-N 296.370 3.592 30 20 CHED C#CCCCCN[C@H](C)c1ccc(Br)cc1 130698529 KXOCKERNGNTTAM-GFCCVEGCSA-N 280.209 3.903 30 20 CHED CCn1c(NC(=O)C[C@H](C)C(C)C)nc2cc(C#N)ccc21 131961115 ZAYAFCBZFJIYHE-LBPRGKRZSA-N 298.390 3.549 30 20 CHED CC(C)(C#N)c1ccccc1COc1cccc([N+](=O)[O-])c1 133790083 HSUWQTLJDAURHC-UHFFFAOYSA-N 296.326 3.975 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(CC#N)cc1)C(C)C 134108227 SWHZPBBNNVTEES-OAHLLOKOSA-N 258.365 3.763 30 20 CHED C=C[C@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1 135372355 VKHRAFUUDQPUSC-OAHLLOKOSA-N 282.387 3.641 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc(CC)cc2)CC1 152949548 FBTPQKRHTAKGPW-MRXNPFEDSA-N 286.463 3.940 30 20 CHED N#CCC(=O)Nc1ccccc1Oc1ccccc1Cl 153515411 AJDUKNHNFZYEAR-UHFFFAOYSA-N 286.718 3.984 30 20 CHED N#Cc1cc(F)c(C(=O)NCCCC2CCCC2)c(F)c1 154020875 YIWGLZAGVSTPQT-UHFFFAOYSA-N 292.329 3.537 30 20 CHED CCCC1(CNC(=O)N(C)Cc2ccc(C#N)cc2)CCC1 155280251 WALHMZCHNQRZNH-UHFFFAOYSA-N 299.418 3.670 30 20 CHED CC1(C)CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 155511969 QDIIXGSOWIHXOU-UHFFFAOYSA-N 284.403 3.530 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1COc1ccccc1 156777324 BSZYBJAJVAEHMG-UHFFFAOYSA-N 296.370 3.963 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 157904496 NFYIVKROYCNFHU-KBXCAEBGSA-N 286.419 3.797 30 20 CHED CC1(C)CCC[C@@H](NCc2cc(C#N)ccc2F)C1 158913294 PBGJCPMFSMCJDM-CQSZACIVSA-N 260.356 3.756 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@]1(C)CC 160001894 UWJKZQPEWOPLPS-ZFWWWQNUSA-N 263.406 3.699 30 20 CHED C=C(C)CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1 161072683 RAFQNAVBPBRJHG-UHFFFAOYSA-N 277.673 3.665 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1cc(C#N)cs1 161135491 BWRMKGMADKSUGX-UHFFFAOYSA-N 276.792 3.905 30 20 CHED C=C(Cl)CN[C@H](C)c1sccc1Br 161755266 SHDWQTHIBVPWRJ-SSDOTTSWSA-N 280.618 3.914 30 20 CHED C=CCCN[C@H]1CCc2cc(Br)ccc21 168510639 UMLVKFQNTHJFIB-ZDUSSCGKSA-N 266.182 3.602 30 20 CHED Cc1nc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1C#N 171490958 YNPKVUQNPBTCBD-IIAWOOMASA-N 298.386 3.777 30 20 CHED C=CCCCN1CCC(C(=O)c2ccc(OC)cc2)CC1 172174548 LIHUMNGYSNUGCZ-UHFFFAOYSA-N 287.403 3.556 30 20 CHED CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCC1 172292599 VSPWFDGRHOQEKS-UHFFFAOYSA-N 285.391 3.894 30 20 CHED C#CCCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 172946961 JMMKDAJRNYCQBB-STQMWFEESA-N 296.197 3.627 30 20 CHED CC(C)CCOc1cccc(NC(=O)c2cc(C#N)c[nH]2)c1 175443736 ZNCUHSXKYVTFHJ-UHFFFAOYSA-N 297.358 3.564 30 20 CHED COc1cccc(NC(=O)c2cccc(SCC#N)c2)c1 175494339 DFSZWPNCUZYMEH-UHFFFAOYSA-N 298.367 3.563 30 20 CHED C=CCCCC(=O)Nc1nc(-c2ccc(O)cc2)cs1 175722466 XSMFFNUEVCXUFX-UHFFFAOYSA-N 288.372 3.811 30 20 CHED Cc1cc2cc(NC(=O)c3cc(C#N)cs3)ccc2[nH]1 175722784 IYQWZHFJXIGXHM-UHFFFAOYSA-N 281.340 3.662 30 20 CHED Cc1noc(C)c1[C@@H](C)C(=O)O[C@H](C)c1ccc(C#N)cc1 175787188 CCFLNIJBGNGQOD-ZYHUDNBSSA-N 298.342 3.571 30 20 CHED CC(C)Oc1ccccc1CNCc1ccc(C#N)s1 176953112 ZOMGSFIINAPAOY-UHFFFAOYSA-N 286.400 3.697 30 20 CHED C#CCCCCNC(=O)c1cc2cc(F)ccc2s1 177368551 ALMZTSOIXNAWSC-UHFFFAOYSA-N 275.348 3.574 30 20 CHED COC(=O)CCc1ccc(NCCCC(C)(C)C#N)cc1 177607377 KSGKGZVGWPAUTB-UHFFFAOYSA-N 288.391 3.534 30 20 CHED C#CCCCN[C@@H](CC)c1ccccc1OC(F)F 178059454 ZVOFNNSSLWPJKU-ZDUSSCGKSA-N 267.319 3.742 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 178109584 XMIJZGSNBCSATC-AAEUAGOBSA-N 276.405 3.661 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](c1ccccc1)C1CC1 179267853 XGGOIPPBMFJGIR-SFHVURJKSA-N 290.366 3.999 30 20 CHED CCOCc1cc(CNc2cccc(C#N)c2)ccc1OC 179551056 BLYIRQVLAXRQHE-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 180948394 XJXALLOUYUOYEU-UONOGXRCSA-N 269.392 3.796 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C1CC1)[C@H](C)C1CC1 181096129 KBRURJQPFKOBEZ-QWHCGFSZSA-N 264.413 3.704 30 20 CHED N#CCCN(CCCc1cccc(F)c1)Cc1ccco1 182822532 IRGNPCQKHQPNSC-UHFFFAOYSA-N 286.350 3.767 30 20 CHED COc1ccc(F)cc1N[C@H](C)c1cccc(C#N)c1 183299078 KEWCFXOAQHIKPS-LLVKDONJSA-N 270.307 3.879 30 20 CHED CC[C@@H](C)N(C(=O)c1cc(C#N)cs1)[C@H](C)CC 184941490 WTJPUJFDBLMIRF-GHMZBOCLSA-N 264.394 3.659 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 185680404 CUNHUHYWQVGKEJ-FUHWJXTLSA-N 283.415 3.832 30 20 CHED CN1C(=O)CCc2cc(/C=C3/CCCC(C)(C)C3=O)ccc21 187644788 SHOQMGKYHHVTRD-QINSGFPZSA-N 297.398 3.758 30 20 CHED Cc1c(C(=O)/C=C/c2ccc3c(c2)CCO3)cnn1C(C)C 188889769 AEQRYEQBLLCOFM-GQCTYLIASA-N 296.370 3.603 30 20 CHED CN(C)C(=O)Sc1cccc(CSCCCC#N)c1 190970732 OAKRRNNSNHBPJJ-UHFFFAOYSA-N 294.445 3.997 30 20 CHED C#CCCCC(=O)N(C)c1ccc(C(C)(C)C)cc1 192221235 SFUVASDUNZJOMD-UHFFFAOYSA-N 257.377 3.750 30 20 CHED CCCOc1cc(/C=C/c2ccc(C#N)cn2)ccc1OC 193447358 DXYJLSDUAZIXSU-QPJJXVBHSA-N 294.354 3.921 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1ccc(F)c(F)c1 195434945 AQSJIHFXFZTODD-QWRGUYRKSA-N 252.308 3.507 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 200989090 TYUBLDGHKSRLAH-MRXNPFEDSA-N 256.393 3.816 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 205667051 FDIDGHXPXKNAFG-TWGQIWQCSA-N 271.247 3.630 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)s1 211709115 KVZCJHXCTOVZMB-YVMONPNESA-N 272.325 3.651 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 212213622 TZCZCDWXBPQAQR-HJWRWDBZSA-N 292.294 3.972 30 20 CHED N#Cc1c(F)cccc1NCC(F)(F)c1ccccc1 227899365 QPTPMBCJCJBGNS-UHFFFAOYSA-N 276.261 3.901 30 20 CHED CCC(CC)(CNCC(C)(C)CCC#N)SC 230708169 HEOVBLKEQWTZBW-UHFFFAOYSA-N 256.459 3.828 30 20 CHED CC(C)(C#N)CCCCOc1ccc2c(c1)CCC2=O 232522369 BDHPLZFLMSMTCY-UHFFFAOYSA-N 271.360 3.914 30 20 CHED C[C@@H]1Cc2ccccc2N1c1nccc(C#N)c1Cl 235348309 DXGSODXUFZNCMS-SNVBAGLBSA-N 269.735 3.689 30 20 CHED Cc1ccc(NCCOc2ccc(C#N)cc2)cc1C 248160826 ONWNSWLSTMPEKL-UHFFFAOYSA-N 266.344 3.666 30 20 CHED CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](C)c1ccc(C#N)cc1 248343678 KPMGEDPCCZDOQG-DAXOMENPSA-N 282.387 3.514 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@H]1C[C@H]2CC[C@H]1C2 251731565 ZVSSOASGHZAHQT-OXJKWZBOSA-N 285.347 3.703 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccc(C)cc1 254517121 OASADJUAJSHSLF-UHFFFAOYSA-N 268.316 3.529 30 20 CHED N#C[C@@H](C(=O)/C=C\c1ccc2ccccc2n1)c1ccccn1 254952066 VKDNGKVPMCYLHO-BLIJAFNYSA-N 299.333 3.519 30 20 CHED CCc1ccc(N/C(N)=N/[C@@H]2C[C@H]2c2cccc(F)c2)cc1 262745207 JJGIBZJUXHLIIR-DLBZAZTESA-N 297.377 3.671 30 20 CHED CC(C)Oc1ccc(N/C(N)=N/[C@@H]2C[C@]2(C)C(C)C)cc1 263058346 FGGITXDTTVXFKJ-NVXWUHKLSA-N 289.423 3.635 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1C=CCC1 264234752 YTDGXLBJKMWHOX-OAHLLOKOSA-N 262.397 3.521 30 20 CHED C#CC[C@@H](NCc1ccc(OC)cc1OC)c1ccccc1 270236177 RIJNXSHBLZKYRB-GOSISDBHSA-N 295.382 3.558 30 20 CHED C=CCN(C(=O)c1cc(C2CC2)nc2ccccc12)C1CC1 271388521 KUJOIQPAVBYXQY-UHFFFAOYSA-N 292.382 3.903 30 20 CHED C=CCN(CCCC(=O)Nc1c(C)cccc1C)C1CC1 271460284 PPZQRTHBFZHCDO-UHFFFAOYSA-N 286.419 3.673 30 20 CHED CC#CCCCC(=O)N1CCCCC[C@@H]1c1cccn1C 274299581 RWUIMEBXWBDLTG-QGZVFWFLSA-N 286.419 3.662 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@]1(C)Cc1ccccc1 278910831 ZWDALHLNDRIRTF-SFHVURJKSA-N 284.403 3.550 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1C(C)C 280548505 IVJJBRKFYMMQDK-UHFFFAOYSA-N 268.316 3.835 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCC[C@@H](C)c1ccccc1 280779337 PPSLSHYCHRLSOZ-NXHRZFHOSA-N 273.420 3.751 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1C 281355012 WZTMJIHRTUEILK-KBPBESRZSA-N 284.403 3.606 30 20 CHED N#CC1(C(=O)Nc2ccc3c(Cl)cccc3n2)CCCC1 285877782 CZBAFOLPEGIADO-UHFFFAOYSA-N 299.761 3.911 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)nn1 287367467 YWLLRJBVJISCMA-MDZDMXLPSA-N 295.386 3.634 30 20 CHED CC1(C)CN(c2ncccc2C#N)[C@@H]1c1cccs1 288212212 LRSOZNYXZXHXNW-CYBMUJFWSA-N 269.373 3.602 30 20 CHED C=CCCN(C)C(=O)Nc1c(F)cccc1SCC 290159125 QNLTVHFWTNRLEZ-UHFFFAOYSA-N 282.384 3.978 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](c2ccccc2C)C1 292377823 WECANCQCGXQVGF-HNNXBMFYSA-N 271.404 3.913 30 20 CHED Cc1nsc(C)c1C(=O)N[C@@H](CCC#N)c1ccccc1 293317988 IOOQMFZZXMXXAJ-AWEZNQCLSA-N 299.399 3.535 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)o1 293415166 MSMGQWUQELFBPL-HAQNSBGRSA-N 286.762 3.840 30 20 CHED C=CCC[C@H](NC(=O)c1oc(CC)nc1C)c1ccccc1 293656906 ITUJQTNKHDCMHP-HNNXBMFYSA-N 298.386 3.983 30 20 CHED CCC1(CC)CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 297339474 OCGOJIBJYZOFJH-INIZCTEOSA-N 299.418 3.863 30 20 CHED C[C@@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 301395452 FGAMKVWOMJIYDP-SNVBAGLBSA-N 271.751 3.606 30 20 CHED C[C@@H](c1ccccc1)N(C)c1ccc(Cl)c(C#N)n1 301513495 JEUJFVMMGFNWQG-NSHDSACASA-N 271.751 3.804 30 20 CHED C[C@@H](Nc1ccc(C#N)c(Cl)c1)C(C)(C)CN(C)C 301635797 LKHPBCSJDPWPEL-LLVKDONJSA-N 279.815 3.600 30 20 CHED N#Cc1cccc(N[C@@H](c2ccccc2)C2CCC2)n1 301814439 CSVFTXBXSDPTGP-KRWDZBQOSA-N 263.344 3.907 30 20 CHED C=CCCOc1ccc2c(CCC)cc(=O)oc2c1 303812434 NTABYSLSNQRIDO-UHFFFAOYSA-N 258.317 3.700 30 20 CHED C#C[C@H](NCc1cscc1Br)C(C)(C)C 309082168 RFWPOFIKMXFNBQ-NSHDSACASA-N 286.238 3.648 30 20 CHED O/C(=N/[C@@H]1CCCC[C@H]1O)Nc1cccc2ccsc12 328810376 MPJAFVIHCDQDFN-DGCLKSJQSA-N 290.388 3.531 30 20 CHED Cc1nc(CC/N=C(/O)[C@@H]2CCC[C@H](C)C2)c(C)o1 328919617 ASTACNHBWSTAJS-GXFFZTMASA-N 264.369 3.617 30 20 CHED N#Cc1cccc(C/N=C(/O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 329292790 RGYPXTGMANYHEX-GVDBMIGSSA-N 297.402 3.531 30 20 CHED C[C@@H]1CCC[C@@H](C/C(O)=N/CCc2csc(O)n2)C1 329474851 BAPXWYNVKZKNAP-GHMZBOCLSA-N 282.409 3.564 30 20 CHED CC[C@H](C)[C@H](C)/N=C(/O)Nc1c(C)cc(C)nc1C 331342778 TZKOTLPDVDEXDA-CABZTGNLSA-N 263.385 3.767 30 20 CHED N#Cc1cc(NC(=O)c2c(F)cccc2F)ccc1Cl 334241236 NBDYCGXCDXRNFS-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CC23CCCC3)c(Cl)c1 334527970 XHRUPEDKUTZMEF-GFCCVEGCSA-N 288.778 3.925 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)CC1 334986790 RYSHPVBFYISPTN-AWEZNQCLSA-N 285.391 3.797 30 20 CHED C[C@@H]1CC=C(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 335076539 MEZUGALLMUQNLK-KGLIPLIRSA-N 282.387 3.824 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(C#N)c(F)c1 335188138 KMTWORDHCJRGOX-SNVBAGLBSA-N 287.294 3.515 30 20 CHED N#CCC1CCN(Cc2cc3cc(F)ccc3o2)CC1 335314050 STTMLOUCVBGYIE-UHFFFAOYSA-N 272.323 3.698 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N2CCC(CCC#N)CC2)C1 335501481 QTPXUIMQCDIXMA-FOLVSLTJSA-N 276.424 3.601 30 20 CHED N#Cc1cccc(C(=O)Nc2cccc(F)c2Cl)c1 335994519 ZMPYJRDTWCRSAH-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)co1 336168590 ZNQKBHWIRHRRNV-IAGOWNOFSA-N 294.354 3.500 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1-c1cccs1 336504185 DWQVPNFTAIVYNH-JTQLQIEISA-N 256.330 3.513 30 20 CHED C=CCOCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 338888598 SUOGGTKCFTWQQI-XJKSGUPXSA-N 275.392 3.570 30 20 CHED CC[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(C)cc1 340065254 WZHIEBDLWYOWOW-SFHVURJKSA-N 292.382 3.942 30 20 CHED Cc1cc2cc(NC(=O)c3ccc(CC#N)cc3)ccc2[nH]1 340068585 CQMLTJYSJPRZDC-UHFFFAOYSA-N 289.338 3.795 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(-n3ccnc3)c2)n1 340807690 XFCJODIHUDVZMJ-UHFFFAOYSA-N 294.358 3.776 30 20 CHED C=CCC1(C(=O)Nc2nc3cccc(Cl)c3[nH]2)CCC1 342368362 GOTLYEMBMPTBLQ-UHFFFAOYSA-N 289.766 3.901 30 20 CHED COC(=O)c1cccnc1S[C@@H](C)c1ccc(C#N)cc1 344854053 AHPNBTZZUXYEIQ-NSHDSACASA-N 298.367 3.593 30 20 CHED C=C(CNC(=O)[C@@H]1CSc2ccccc21)c1ccccc1 345746888 KBXNDQKTPQSULF-MRXNPFEDSA-N 295.407 3.706 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1c1nc([C@H](C)c2cccs2)no1 346600914 DYEOAUMYHDKWAU-WZRBSPASSA-N 290.388 3.732 30 20 CHED CCc1cccnc1NCc1cccc(OCCCC#N)c1 347911609 LOGNXFYYZZFUHQ-UHFFFAOYSA-N 295.386 3.939 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cccc(C#N)c1 348216213 OIQSXWIZWLLRLV-CYBMUJFWSA-N 255.365 3.539 30 20 CHED COc1ccc(/C=C/c2ccncc2C#N)c(Cl)c1 349107019 JGHYJYIOIZZYST-NSCUHMNNSA-N 270.719 3.786 30 20 CHED C=CCN1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 351504727 WXDANMLLNGTXDF-MRXNPFEDSA-N 267.376 3.790 30 20 CHED N#Cc1cccc(NCc2cc(O)cc(C(F)(F)F)c2)c1 352837032 LEBNCUNGDIHTPQ-UHFFFAOYSA-N 292.260 3.895 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccccc2OC)CC1 353536169 OLCWHMCYVJVCNW-ZDUSSCGKSA-N 273.376 3.619 30 20 CHED CC(C)Cc1noc(-c2cccc(SCC#N)c2)n1 355402144 ADBVBQXRLGECGO-UHFFFAOYSA-N 273.361 3.551 30 20 CHED N#Cc1ccc(SCc2c(F)cccc2F)nc1 355423870 BNFJCVKSSARTMY-UHFFFAOYSA-N 262.284 3.524 30 20 CHED N#Cc1ccc(SC[C@@H]2CCc3ccccc32)nc1 355432932 OFGSEHVSELKRJK-AWEZNQCLSA-N 266.369 3.775 30 20 CHED C=CCOc1cccnc1-c1nc([C@H]2CCC[C@H](C)C2)no1 356190997 JMXXIUMHHKNBOR-STQMWFEESA-N 299.374 3.990 30 20 CHED C=C(CC)CSCC(=O)NCc1ccc(CC)s1 358637638 PMTRSVBESAPDNA-UHFFFAOYSA-N 283.462 3.626 30 20 CHED CCOCc1ccc(NCc2ccc(C#N)c(F)c2)cc1 359008329 WQQHBCNJBKOQCT-UHFFFAOYSA-N 284.334 3.846 30 20 CHED N#Cc1c(Cl)nsc1N1Cc2cccc(Cl)c2C1 377143413 UZBBSQMADVGWTR-UHFFFAOYSA-N 296.182 3.842 30 20 CHED C[C@@H]1CSC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 381668009 PJNCAXPVMCDBHB-PELKAZGASA-N 286.322 3.740 30 20 CHED N#Cc1cc(F)cc(OCc2cc(F)ccc2F)c1 382350771 JMFWNKLJGIYXJM-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1ccc(OCC#N)cc1 385884765 XVVHRXFJOUDOPP-YSVLISHTSA-N 272.392 3.674 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(Cl)s2)C1 397597744 DZPKOOPGQKDUNG-SNVBAGLBSA-N 254.786 3.527 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 397755886 QKPQSYHEJBLTAS-NSHDSACASA-N 266.747 3.605 30 20 CHED CC[C@H](C(=O)N1CCC(CCC#N)CC1)c1ccccc1 399342977 IQDDKGDDVVWNGJ-KRWDZBQOSA-N 284.403 3.723 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Cc1ccc(C)cc1 410126159 WAGGYWHDJBCJLU-HOCLYGCPSA-N 259.393 3.645 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(C#N)cc1Cl 410589702 MECIKUUVFXZPMD-BONVTDFDSA-N 276.767 3.976 30 20 CHED CC(C)(C)CCC(=O)N1CCCc2cc(C#N)ccc21 411004738 XIABHYYIFJKDGL-UHFFFAOYSA-N 270.376 3.664 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC[C@@H]2C2CC2)s1 414488933 UZNFSZMCXJWHAX-SWLSCSKDSA-N 260.406 3.536 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)NCC3(C#N)CCC3)oc12 416359677 QYHBRWBMBOMCEF-UHFFFAOYSA-N 296.370 3.782 30 20 CHED N#CC1(CNC(=O)CCCC2CCCCC2)CCC1 416360256 MXOCUQOLNZZMJO-UHFFFAOYSA-N 262.397 3.547 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(F)c(F)c1C 417511850 WSDOZLFJCNXBGL-UHFFFAOYSA-N 268.307 3.607 30 20 CHED N#CC1(CCOc2ccc([N+](=O)[O-])cc2)CCCCC1 418779006 ATTXQPJLJJCPSK-UHFFFAOYSA-N 274.320 3.838 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 424691481 ZLKCUROTJBQIJS-INIZCTEOSA-N 271.404 3.726 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425132413 RBOCWDBBWYFWQO-XGWLTEMNSA-N 270.376 3.514 30 20 CHED C[C@H]1C[C@H](Nc2nc3c(cc2C#N)CCCC3(C)C)CCO1 428149163 BVPMOMIFDVUOFB-SWLSCSKDSA-N 299.418 3.547 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C(=O)OC)c1ccc(F)c(C)c1 428397362 BVIYMUMHFUJRKD-NORZTCDRSA-N 293.382 3.539 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1(C)CCC(C)CC1 431750182 NNLWYIVCIVHQIF-UHFFFAOYSA-N 285.391 3.957 30 20 CHED Cc1cccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1Cl 434010615 FDRMUVRTYHUHBD-CYBMUJFWSA-N 290.794 3.803 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc2c(C)cc(C)cc2[nH]1 435731182 JXLJBFYJIBAWIJ-BEFAXECRSA-N 298.430 3.856 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](c1cccnc1)C(C)C 436048027 JEPOTGQNMOQYMF-HOCLYGCPSA-N 274.408 3.682 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1ccc(F)cc1C#N 445880351 MMCXOLGFJBUTQQ-ZDUSSCGKSA-N 288.288 3.764 30 20 CHED CC#CCCNC(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 448288815 CXOMHQOPSVMTEG-IAGOWNOFSA-N 284.403 3.584 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N1CC(C)(C)c2c(Cl)cccc21 448828740 QJNSMXTXOCFXQE-MGPLVRAMSA-N 288.778 3.514 30 20 CHED CC[C@H](NCCc1cccc(C#N)c1)C1CCCC1 449301904 IQEMHOHOEGTHPH-KRWDZBQOSA-N 256.393 3.659 30 20 CHED CC(C)[C@@H]1C[C@H]1CNCc1cccc(OCCCC#N)c1 449552762 KHCJRJCOFWNTEF-WMZOPIPTSA-N 286.419 3.751 30 20 CHED CCCc1cccc(CNCc2ccc(C#N)c(F)c2)c1 449736974 PTUAIZUIFPLDNM-UHFFFAOYSA-N 282.362 3.940 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)CCCCC1 451323709 JKQWQOVWPAMYDX-GOEBONIOSA-N 291.435 3.539 30 20 CHED C=CCC1(C(=O)NCC2CC(F)(F)C2)CCCCC1 451941918 QGZVGLJWRXPOQC-UHFFFAOYSA-N 271.351 3.675 30 20 CHED C=CCCCN[C@H](c1ccc(Cl)cc1)c1nccn1C 453214384 JRBHWTPIFKVCHQ-OAHLLOKOSA-N 289.810 3.719 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C#N)c(Cl)c1 454230970 SIMDYRBVEAVTIY-UHFFFAOYSA-N 277.755 3.545 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@H](CC2CC2)C1 454815931 TWFUKJOLDGELAI-UKRRQHHQSA-N 264.413 3.563 30 20 CHED C=CC(C)(C)CNC(=O)CCSc1ccc(OC)cc1 456122287 ZOPSYIPCLXKYLM-UHFFFAOYSA-N 293.432 3.506 30 20 CHED CC#CCCCC(=O)N(CCC)Cc1ccc(F)cc1 464521391 HEBGLJGZBCQWQF-UHFFFAOYSA-N 275.367 3.758 30 20 CHED C=CC[C@@H](CC)NCc1cccc(OC(F)F)c1 466404954 PHVUBZFKIIAWSM-GFCCVEGCSA-N 255.308 3.732 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](CC=C)c1ccccc1 466525260 AVAIZMLEIRJVSV-HZPDHXFCSA-N 257.377 3.817 30 20 CHED Cc1ccc([C@@H](C)NCCc2cccc(C#N)c2)s1 467452330 FIPVBAAHGSFSOP-CYBMUJFWSA-N 270.401 3.822 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1N(C)C(C)C 467905271 CNUQGYGMWWHTCQ-SFHVURJKSA-N 288.435 3.750 30 20 CHED C=C(C)CN(CC(=O)Nc1ccccc1)Cc1ccccc1 470905628 HAPQZTOLKHAGMI-UHFFFAOYSA-N 294.398 3.703 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCCCN2CCCC)CC1 475461264 XUKCOZRMKKEWEE-INIZCTEOSA-N 292.467 3.504 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 475694544 HJQSGZQVYHVZPP-AVGNSLFASA-N 297.185 3.515 30 20 CHED N#Cc1cccc(CN(C#N)c2cccc(Cl)c2)c1 478743111 SMMBOFIZUXDCTH-UHFFFAOYSA-N 267.719 3.699 30 20 CHED C=CCC[C@H](C)N[C@@H]1C[C@H](OCC)[C@@H]1Oc1ccccc1 482514385 UJVYBKMHJMUKCJ-XOYOTBSWSA-N 289.419 3.556 30 20 CHED C=CCCC1(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 483055185 YGOZIDNOYWNRBC-UHFFFAOYSA-N 273.420 3.818 30 20 CHED C=CCC[C@H](O)CN1CCC(c2cccc(Cl)c2)CC1 483120369 OEQZDGDHDICYQS-KRWDZBQOSA-N 293.838 3.847 30 20 CHED N#Cc1cccnc1/C=C/c1ccc(OC(F)F)cc1 486057671 ZQOLFEBTBYSSSM-VMPITWQZSA-N 272.254 3.725 30 20 CHED C[C@@H]1C[C@@H](C)CN(Cc2ccccc2C(C)(C)C#N)C1 487357602 BDGQNKMPUHBHKV-HUUCEWRRSA-N 270.420 3.966 30 20 CHED C=CC1CCN(C(=O)Cc2cccc(C)c2Cl)CC1 488953140 YAOYCHNDYOJLLT-UHFFFAOYSA-N 277.795 3.616 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCc1ccccc1F 490410229 QWPFAHUKHJUHQM-AWEZNQCLSA-N 282.362 3.933 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccccc1COC(C)(C)C 491525423 SHCNAQNKERPZOK-OAHLLOKOSA-N 287.403 3.533 30 20 CHED C=C(C)CSCc1ccc([N+](=O)[O-])c(OCC)c1 491865387 HCDXAIFMMPQEKU-UHFFFAOYSA-N 267.350 3.803 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N(C)CC(C)(C)C#N)CC(C)(C)C1 497439537 KTFUPYBQOQTWFQ-KGLIPLIRSA-N 278.440 3.847 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1ccc(Cl)c(F)c1 497934966 CGYAQGUNUUCNIV-NSHDSACASA-N 299.773 3.719 30 20 CHED CC[C@@H]1C[C@@]1(NCCCCC#N)c1cccc(C)c1 502488157 WSUZNCZFFNQKPO-WBVHZDCISA-N 256.393 3.904 30 20 CHED Cc1nnc(NC(CC(C)C)CC(C)C)c(C#N)c1C 505614949 VBAJPPJIYACVEC-UHFFFAOYSA-N 274.412 3.838 30 20 CHED C=CCN(CC=C)Cc1c(C)nn(Cc2ccccc2)c1C 505886471 GAJFOBUCJVTGLN-UHFFFAOYSA-N 295.430 3.722 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccccc1C(F)(F)F 506789552 MJXROQGTEIYSFF-QMTHXVAHSA-N 298.308 3.822 30 20 CHED Cc1ccccc1OCCN(C)c1ccc(C#N)cc1F 506871290 BQHBVGVPVAAORM-UHFFFAOYSA-N 284.334 3.521 30 20 CHED CCc1cccnc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 507517218 XYGVAXAWNOFYFY-UONOGXRCSA-N 279.387 3.927 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccccc2C#N)n1 508633527 SVRBHWYZLXXPKC-CSKARUKUSA-N 265.316 3.620 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC(C)(C)CC(C)(C)C1 513113471 OINHYFMOBCUZCJ-UHFFFAOYSA-N 293.455 3.784 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H]1CCO[C@@H](CC)C1 514185806 KZHXSUKSZNDZBY-HOTGVXAUSA-N 281.440 3.787 30 20 CHED Cc1nnc(SCC(C)(C)CC#N)n1-c1ccccc1 519614829 MZQRKIQUQUDPHB-UHFFFAOYSA-N 286.404 3.608 30 20 CHED N#CCCC1CCN(Cc2ccc(Cl)cc2C#N)CC1 519650304 XLLJAPHZXPUJTR-UHFFFAOYSA-N 287.794 3.727 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1-n1cccc1 520462962 JEPXLIXIUOEZAS-UHFFFAOYSA-N 272.323 3.911 30 20 CHED C=CCNC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 521958957 FILGJJRFOSJKBC-UHFFFAOYSA-N 287.363 3.724 30 20 CHED C=CCCCCCN(C)C(=O)NCC1CCSCC1 525323749 QJPFEVDTWWRFHZ-UHFFFAOYSA-N 284.469 3.517 30 20 CHED CC(C)[C@H]1CCCN(c2c(C#N)nnc3ccccc23)CC1 525356670 MPJITTAFIMWTGQ-AWEZNQCLSA-N 294.402 3.764 30 20 CHED CCC(C#N)(CC)c1nc(CCCc2ccccc2)no1 528091091 YNWRBFGQQZXIGB-UHFFFAOYSA-N 283.375 3.826 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1ccc(C)c(C)c1 529469075 CRLSPHQJXQMJAA-UHFFFAOYSA-N 272.392 3.592 30 20 CHED C=CCN1CCC(N[C@H]2CCc3c(Cl)cccc32)CC1 532515146 BEHHAVOAOCWODP-KRWDZBQOSA-N 290.838 3.567 30 20 CHED COc1ccc(CN2[C@H]3CCCC[C@H]3C[C@H]2C)cc1C#N 533539383 QTGXNCMAZJFCJO-KMFMINBZSA-N 284.403 3.720 30 20 CHED C=CCC[C@@H](NCCOC1CCCCC1)C1CC1 536855869 CCMMORNHBOGFNM-MRXNPFEDSA-N 251.414 3.670 30 20 CHED CC[C@H](C)n1[nH]c(=N[C@@H](C)c2ccc(C#N)cc2)cc1C 538418124 AFGNFPHZYHWTGE-JSGCOSHPSA-N 282.391 3.629 30 20 CHED Cc1cc(C)cc(CCC(=O)N(C)c2ccc(C#N)cc2)c1 538556982 PEIPTBSAMUHEKG-UHFFFAOYSA-N 292.382 3.771 30 20 CHED C=C(CC)CSCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 540193219 GHJXZHKPRVBHCF-BFHYXJOUSA-N 269.454 3.627 30 20 CHED CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 543481085 RYQKAKIXCPXLBY-LBPRGKRZSA-N 290.794 3.864 30 20 CHED C=CC[C@H](CC)N[C@@H](C)CC(=O)Nc1cccc(C)c1 545979712 USTPKGSQZZFHTN-GJZGRUSLSA-N 274.408 3.656 30 20 CHED COc1cc(C#N)ccc1NCc1csc(C(C)C)n1 545999086 IKDCUJFEPDBNKX-UHFFFAOYSA-N 287.388 3.759 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCc2c(C)cccc21 546028526 OPUNPSOQGRBVIT-INIZCTEOSA-N 272.392 3.638 30 20 CHED C=C[C@@H](CC(=O)N(CC)CCC1CC1)c1ccccc1 546868559 GGWOLYXJELSUJW-INIZCTEOSA-N 271.404 3.995 30 20 CHED C/C=C\c1ccc(NC(=O)N2CCC(CC#N)CC2)cc1 548792327 RIODAPZWISQXBS-IHWYPQMZSA-N 283.375 3.877 30 20 CHED COc1cc(F)c(F)cc1N[C@@H](C#N)C1CCCCC1 555122435 UAYFLOBGEMLYCM-AWEZNQCLSA-N 280.318 3.858 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C 562246919 QHQXRDQTRRCENP-KDOFPFPSSA-N 279.387 3.662 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)[C@@H]1C[C@H]1c1ccccc1 565431992 BMHJMIJPSFKQCG-XPGWFJOJSA-N 290.410 3.883 30 20 CHED CCc1occc1C(=O)N(CCC#N)c1ccc(F)cc1 566657168 ZHOGDTPNDZMDJY-UHFFFAOYSA-N 286.306 3.542 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 567077809 JFQIENLMTGULOB-CJNGLKHVSA-N 290.407 3.752 30 20 CHED CC(C)(CC1CCCCCC1)NCCOCCC#N 567452662 MEXRWFOYWYWRTC-UHFFFAOYSA-N 266.429 3.645 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 568852366 QYZODSTYVSFGBE-MAUKXSAKSA-N 298.430 3.943 30 20 CHED Cc1nc(C(=O)Nc2ccc(C3CCC3)cc2)ccc1C#N 569053526 LFUNHRMFCRVMKP-UHFFFAOYSA-N 291.354 3.782 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 570295875 ATCDSIYOCJKXET-KGLIPLIRSA-N 288.439 3.604 30 20 CHED C=CCCCCN1CCC(Oc2ccncc2C)CC1 573654562 WYQNTAXMEKNVLT-UHFFFAOYSA-N 274.408 3.590 30 20 CHED CC(C)N(CCC#N)Cc1ncc(C(C)(C)C)s1 573910695 LFYSVYAHXKEWBT-UHFFFAOYSA-N 265.426 3.565 30 20 CHED C[C@](C#N)(NC(=O)CC1=CCCCC1)C1CCCCC1 577436000 REOOIMMKTNTDKS-QGZVFWFLSA-N 274.408 3.856 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)nc1 577814083 YTTNVHLBEGRMSN-GOSISDBHSA-N 295.361 3.723 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)[C@]1(C#N)CC12CCCC2 579796753 KXLKORPUGFOZFE-QFBILLFUSA-N 294.398 3.573 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)NCC2(C#N)CCC2)CC1 580633181 AAFFOEJYKAYGGN-CQSZACIVSA-N 291.439 3.538 30 20 CHED C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(C2CC2)c1 582416970 UPRHLDKLPVSDFU-IIYDPXPESA-N 297.402 3.616 30 20 CHED CC[C@@H](CC#N)NCc1cc(F)c(C(F)(F)F)cc1F 583271298 AHARBCUWZAYWLI-VIFPVBQESA-N 292.251 3.765 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 591768090 FTBWLKIMOCDLJF-DVOMOZLQSA-N 270.376 3.562 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(CCCCC#N)n1 594531750 WECUZMJMQZZMCC-CHWSQXEVSA-N 261.369 3.990 30 20 CHED C=CCCSCCN[C@H](C)c1sc(C)nc1C 595059430 OGGRAQKLIFBMJX-SNVBAGLBSA-N 270.467 3.720 30 20 CHED CSCC1(CCNc2c(F)cc(C#N)cc2F)CC1 596427547 KAQOKZNGPCXMIT-UHFFFAOYSA-N 282.359 3.782 30 20 CHED CCCn1nc(C)c(-c2ccc(C#N)cc2C)c1C 596641449 VSZAEJPQYVLHRA-UHFFFAOYSA-N 253.349 3.757 30 20 CHED CN(Cc1cccc(F)c1)C(=O)CC1(C#N)CCCCC1 596650795 QXYNLNBCXYADEK-UHFFFAOYSA-N 288.366 3.648 30 20 CHED C[C@H](C#N)N(C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 598136778 JMSOOPXGBYAXHM-KYJSFNMBSA-N 296.414 3.548 30 20 CHED CC1(C)CCC(C)(C)N(CCCSCC#N)C1 599537660 IFZIZWXBXMPBSG-UHFFFAOYSA-N 254.443 3.534 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(C#N)(CC)CC 600015123 DKDOGAIWSRUGQO-MRXNPFEDSA-N 284.403 3.620 30 20 CHED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](C)CCC#N 602478280 OVYYITBRUJALMJ-IJEWVQPXSA-N 274.383 3.943 30 20 CHED C[C@@H](CCC#N)CNCCCO[C@H](C)c1ccccc1 602509018 AMDABMSTYRDYIY-JKSUJKDBSA-N 274.408 3.684 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccnc(C#N)c2)CCCC1(C)C 603125831 MFLIQUYFEKGMMY-HNNXBMFYSA-N 298.390 3.552 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 609735606 DQQLUGIPVCRJFB-SUMDDJOVSA-N 298.430 3.844 30 20 CHED CC(C)(C)CCCNc1ncc(C#N)cc1Cl 610077287 NAUDSBAPMIBMDZ-UHFFFAOYSA-N 251.761 3.845 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@@](C)(C#N)C1 612162207 GAFRXNZWGGPNAF-SFHVURJKSA-N 281.403 3.613 30 20 CHED N#Cc1ccc(N2C[C@@H](c3ccccc3)c3ccccc32)nn1 618173701 VCNZWFDNAXUUMA-KRWDZBQOSA-N 298.349 3.632 30 20 CHED CC(C)CC[C@@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618795386 QPWPUMWRROIUKX-CXAGYDPISA-N 299.418 3.669 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCC(C)(F)F 620863733 YZUMKCUSBBVCKD-UHFFFAOYSA-N 281.346 3.679 30 20 CHED C=CCOCC(=O)N(C(C)C)[C@H](CC)c1ccccc1 622974890 HWNWZJJUNCPOAS-MRXNPFEDSA-N 275.392 3.577 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccc2nc(O)oc2c1 631737321 LVKMYTPQTXQRTL-TUAOUCFPSA-N 274.364 3.785 30 20 CHED C=CCCCCCN1CCC[C@@H]1[C@H]1CCCOC1 645949189 QLQFXXVYMRHKEQ-JKSUJKDBSA-N 251.414 3.624 30 20 CHED C=CCC[C@H](N[C@H](CO)C[C@@H](C)CC)c1ccco1 647337110 KXRBDEAGPNSQOB-KKUMJFAQSA-N 265.397 3.674 30 20 CHED C=CCC1(CNC(=O)N[C@H]2CCC(F)(F)C2)CCCC1 652454438 SZXLESDMFOBFJB-LBPRGKRZSA-N 286.366 3.610 30 20 CHED C=CCC1(NC[C@@H](C)c2ccc(F)cc2)CCOCC1 668550725 FHIMGRXVQKVHCB-CQSZACIVSA-N 277.383 3.644 30 20 CHED C=CCC1(NCC[C@H](C)c2ccccc2)CCOCC1 668551721 VFDURWXOADHWMC-INIZCTEOSA-N 273.420 3.895 30 20 CHED C=C(C)CCN1CCC(c2nc(-c3ccccc3)no2)CC1 681402078 PEQHDCPVIFQKMG-UHFFFAOYSA-N 297.402 3.882 30 20 CHED C=CC[C@@H]1N(C(=O)c2nc(C)c(C)s2)CCCC1(C)C 683571275 ONSUUGNVSOKLHW-ZDUSSCGKSA-N 292.448 3.967 30 20 CHED C=CCCOCc1nc(-c2cc3cc(C)ccc3o2)no1 683604935 NJMNXNYPNYKHIE-UHFFFAOYSA-N 284.315 3.884 30 20 CHED C=C[C@@H](C)NC/C(C)=C\c1ccccc1OC(F)F 685618547 PCNLTYKRJSTROA-UCQJPZFISA-N 267.319 3.855 30 20 CHED C[C@@H](COCc1ccccc1)COc1cccc(C#N)c1 719612736 QSQYMJZXSSZEPX-HNNXBMFYSA-N 281.355 3.790 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccc(Cl)o2)cc1 726940319 DLEWJBXXBBTCLV-UHFFFAOYSA-N 288.734 3.802 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)c1ccc(CC)cc1 727921067 KJTDRXSLWDNUTP-NSHDSACASA-N 252.741 3.648 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](N2CCCCC2)C1 730792938 CUNLDHZIRAHVII-KRWDZBQOSA-N 294.483 3.824 30 20 CHED CCc1ccc(/C=C\C(=O)c2cccc(O)c2)s1 731156553 HAOWUHJIVRTEQT-HJWRWDBZSA-N 258.342 3.912 30 20 CHED C=C(C)CNC(=S)Nc1ccccc1OC(C)(C)C 734386842 VBTVUNXRHMOKJK-UHFFFAOYSA-N 278.421 3.726 30 20 CHED C(=NNc1cccnn1)c1ccccc1-c1ccccc1 735976119 CLEKJNBHVBXWMJ-UHFFFAOYSA-N 274.327 3.590 30 20 CHED C(=NNCCCc1ccccc1)c1coc2ccccc12 746576779 QVZQKWKYOCMVKQ-UHFFFAOYSA-N 278.355 3.989 30 20 CHED C=CCOC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 747026185 STSPDFYVJLAVLO-QMMMGPOBSA-N 259.132 3.826 30 20 CHED N#CCOC(=O)c1ccc(Oc2ccccc2Cl)cc1 747085649 RBNIYMHBCJWJCA-UHFFFAOYSA-N 287.702 3.813 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)c(C)c1)C2 747439446 ARNLKGZZIHGHAB-RIYZIHGNSA-N 282.314 3.965 30 20 CHED CC(C)CN(CC#Cc1cccc(Cl)c1)CCC#N 747495112 OENAPRMBURJQIZ-UHFFFAOYSA-N 274.795 3.563 30 20 CHED COc1ccc([C@H](C)C(C)=NNC2CCCC2)cc1 747630562 PZRLHJAYIORWBF-GFCCVEGCSA-N 260.381 3.707 30 20 CHED CCOC(=O)c1ccc(C=NNc2ccc(Cl)cc2)o1 748247921 ZBKHEZKPRMFMKQ-UHFFFAOYSA-N 292.722 3.556 30 20 CHED C=CCCCC(=O)Nc1cc(-c2ccccc2F)no1 748309347 APJNZDHIOOLDQO-UHFFFAOYSA-N 274.295 3.776 30 20 CHED C=C(Br)CNC(=O)N[C@H](CCC)CCCC 748958723 GMTMCEFSQMJVQJ-LLVKDONJSA-N 291.233 3.553 30 20 CHED CC(=NNc1nncc2ccccc12)c1ccsc1 749099871 VSDCQUMHSLZRLR-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C[C@@H](C(=O)OCCCCC#N)c1ccc(Cl)s1 750547466 DWPUKFPCUWCBKG-SECBINFHSA-N 271.769 3.742 30 20 CHED Cc1c(C(=O)O[C@H](C)C(C)(C)C#N)oc2ccc(F)cc12 753612254 FHUBUKYUBLHKSL-SNVBAGLBSA-N 289.306 3.975 30 20 CHED C=C(C)COC(=O)[C@@H](C)Cc1ccccc1Cl 754304923 IWTQJCHZWUPGRC-NSHDSACASA-N 252.741 3.638 30 20 CHED C=CCOc1cccnc1C(=O)OCC1CCC(C)CC1 754865530 GYKQZEICNRDYAJ-UHFFFAOYSA-N 289.375 3.630 30 20 CHED Cc1ccnc(CON=Cc2ccc(C(C)(C)C)cc2)n1 755805439 VBGFAIAQVONLIO-UHFFFAOYSA-N 283.375 3.633 30 20 CHED FC(F)(F)CC(=NO[C@@H]1CCCCO1)c1ccccc1 755820265 KWEMHIWEDBLKMK-CYBMUJFWSA-N 287.281 3.886 30 20 CHED C#CCOc1cccc(NC(=O)C2(CC)CCCC2)c1 756933096 WMELRUKPRDXJIN-UHFFFAOYSA-N 271.360 3.608 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@](C)(CC)C1)c1ccccc1 757059630 TYRGEQZCPYLNFU-AEFFLSMTSA-N 284.403 3.583 30 20 CHED C=CC[C@H](C)NC(=O)/C(C)=C\c1cccc(Cl)c1 759127005 RIIQRIZLVPCCCV-MMRAYRKESA-N 263.768 3.824 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(F)cc1N(C)C 759604722 HNCIGUONSXMFGG-FLIBITNWSA-N 299.345 3.796 30 20 CHED C#CCCN(Cc1ccccc1)Cc1ccc(F)cc1 760820540 QHIRTZDKVRXQJM-UHFFFAOYSA-N 267.347 3.851 30 20 CHED CC(C)(C)OC1CC(CC/N=C\c2cccc(O)c2O)C1 760991167 VQHYBECIYJQMNT-WQRHYEAKSA-N 291.391 3.501 30 20 CHED C#CCN(C(=O)N[C@@H](CC(C)C)c1ccccc1)C1CC1 764672123 PCOZKMWBFUYSQA-KRWDZBQOSA-N 284.403 3.581 30 20 CHED C[C@H]1CN(CC(C)(C)CCC#N)Cc2ccccc21 768196637 SWZNNPCKKYTVLW-AWEZNQCLSA-N 256.393 3.936 30 20 CHED COc1ccc([C@@H](C)C=NNc2ccc(C(=O)O)cc2)cc1 768354532 ZMZFEWDQVCFTLQ-LBPRGKRZSA-N 298.342 3.595 30 20 CHED CC(CCC(C)C)=NNc1cc(C#N)cc(Cl)n1 768378893 BWTXXHNBSTZGMH-UHFFFAOYSA-N 264.760 3.831 30 20 CHED CC(C)N(Cc1ccc(O[C@H](C)C#N)cc1)CC1CC1 768672420 DASUPFPRLBYESC-CQSZACIVSA-N 272.392 3.598 30 20 CHED C[C@H]1CCCC[C@H]1OCC(=O)OCCCCC(C)(C)C#N 768698261 OQBKILMVHOKFMW-LSDHHAIUSA-N 295.423 3.845 30 20 CHED C=CCN(C(C)C)S(=O)(=O)/C=C/c1cccc(Cl)c1 768813980 AIPZROSDRVBHLR-CSKARUKUSA-N 299.823 3.537 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cc(C)ccc1O 768937238 MFUQRBWVIBRZPC-UHFFFAOYSA-N 297.398 3.897 30 20 CHED COCCN(CCC#N)Cc1ccccc1-c1ccccc1 769334515 CZYJBLUGFYRQIP-UHFFFAOYSA-N 294.398 3.716 30 20 CHED c1ccc([C@@H]2CCC2=NNc2nncc3ccccc23)cc1 769764265 MGITZFBOGZTWNY-HNNXBMFYSA-N 288.354 3.975 30 20 CHED N#Cc1cc(F)ccc1Cn1nc(Cl)c2ccccc21 769927367 FIHKRVQTPLMCOZ-UHFFFAOYSA-N 285.709 3.749 30 20 CHED C=CCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 772382478 RQELPBBWAKVLGO-UHFFFAOYSA-N 286.419 3.573 30 20 CHED CC(C)[C@H](C)C(=O)OCC#Cc1cccc(Cl)c1 773157731 BDYXRSDASQHNRB-LBPRGKRZSA-N 264.752 3.527 30 20 CHED C=C(CC)COC(=O)Cc1csc(-c2ccccc2)n1 773452220 IXOPRHIBIDNAPM-UHFFFAOYSA-N 287.384 3.862 30 20 CHED C#CCCCCC(=O)O[C@@H](C(=O)c1ccccc1)C(C)C 773627342 KMRIOCHVQOWZLV-GOSISDBHSA-N 286.371 3.631 30 20 CHED COC(=O)c1coc(/C=C2\C(=O)c3ccccc3C2(C)C)c1 774127160 RVCDOGIAAIPPCD-OQLLNIDSSA-N 296.322 3.624 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccc(Cl)cn1 774391375 RRFUWXOYMHEIKY-UHFFFAOYSA-N 294.185 3.902 30 20 CHED Cc1ccc(C(=O)OCc2cccc(C#N)c2F)cc1C 774889258 MELSBVBKKDWNOR-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1SCCc2sccc21 776390283 FKZSYZRAZSNRIF-GFCCVEGCSA-N 295.429 3.562 30 20 CHED C[C@@H]1CC[C@H](CC(=O)O[C@H](C#N)C2CCCCC2)C1 776397533 OSHGQGOJTFDDTN-VNHYZAJKSA-N 263.381 3.828 30 20 CHED CC[C@@H](NCCC(C)(C)C#N)c1ccccc1OC 776604643 DCODBLSZZBJDEQ-CQSZACIVSA-N 260.381 3.676 30 20 CHED N#CCc1ccccc1CC(=O)Nc1cccc(Cl)c1 776728805 SYPKWHXVOFFZJO-UHFFFAOYSA-N 284.746 3.587 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(C#N)c(F)c1 776776928 MVLNGSZOBWEQAP-UHFFFAOYSA-N 285.297 3.981 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C)CCSC 776844838 MYDWIBAPKFXUNZ-LBPRGKRZSA-N 295.473 3.836 30 20 CHED Cc1ncsc1C=NN[C@H](Cc1ccccc1)C(C)C 777449498 WIWBTNQVKBTZLT-OAHLLOKOSA-N 287.432 3.642 30 20 CHED Cc1ccc(CCNc2cccc(OCC#N)c2)cc1 778608066 JDQYMEMOJZQDFZ-UHFFFAOYSA-N 266.344 3.552 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C#N)s2)[C@@H]1C 779271815 AYRVSWYBNNKDCE-CKYFFXLPSA-N 263.362 3.601 30 20 CHED N#Cc1ccc(NC(=O)NOC2CCCCC2)c(Cl)c1 779441791 OZNKXNQDYUBRAP-UHFFFAOYSA-N 293.754 3.597 30 20 CHED C#CCCCCCC(=O)N[C@@H](c1ncc(C)s1)C1CC1 779966985 IKYFUJOEDIPJIA-OAHLLOKOSA-N 290.432 3.603 30 20 CHED CCC1(C=NNc2ccc(OC(F)F)cc2)CCOCC1 781122560 PQTBFOAWCSJNQQ-UHFFFAOYSA-N 298.333 3.893 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(Cl)c(Cl)[nH]1 782626537 FTALVYFWXLLQEF-UHFFFAOYSA-N 289.162 3.808 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1csc(C2CC2)n1 784876732 COLOOXXUDLLLSZ-AWEZNQCLSA-N 265.378 3.666 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)OCC1CC1 784889212 LLILZNKSOUKDIV-UHFFFAOYSA-N 285.796 3.936 30 20 CHED O=[N+]([O-])c1ccc(C=NNC2CCCCC2)c(Cl)c1 786042143 LMMLKTFDNVJHJM-UHFFFAOYSA-N 281.743 3.504 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)NCc1cc(C#N)ccc1F 786858002 BWMQSJZLZHQTIH-UGSOOPFHSA-N 298.361 3.563 30 20 CHED CCCC[C@H](CC)C(=O)NOCc1ccc(C#N)cc1C 788053562 LOAFWFLQHFTCES-HNNXBMFYSA-N 288.391 3.631 30 20 CHED N#Cc1ccc(OC(=O)Cc2cccc(C(F)F)c2)cc1 790612739 BTDXITOAWCPUOS-UHFFFAOYSA-N 287.265 3.644 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1cnc2ccccc2n1)C(C)(C)C 792099989 KPZBLJNMFVCEQH-SUIFULHWSA-N 293.370 3.798 30 20 CHED C=CCCCCC[C@H](C)N[C@H](CO)c1ccccc1 793544441 YFVKPBMBLRKXKE-DOTOQJQBSA-N 261.409 3.835 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)o1)c1cc2ccccc2s1 794309530 OOSCDIKGNUWPON-JTQLQIEISA-N 296.351 3.857 30 20 CHED CCSc1cccc(C=NOCCSC)c1 794574535 IGCQLKJWXDEOIL-UHFFFAOYSA-N 255.408 3.512 30 20 CHED O=C1C(=C/C=C\c2ccc(F)c(F)c2)C(=O)c2ccccc21 794690825 KSUKXGHCHZEXBI-ARJAWSKDSA-N 296.272 3.984 30 20 CHED C=CCNN=Cc1c(Cl)ccc(Cl)c1Cl 794994671 WNCNKHQLERCAPN-UHFFFAOYSA-N 263.555 3.756 30 20 CHED COCCCON=C1C[C@H](C)C[C@@H](c2ccccc2)C1 795050489 DQIWUGIMYDUKLN-GDBMZVCRSA-N 275.392 3.999 30 20 CHED CCC[C@@H](Nc1ccc(C#N)cc1)[C@@H](O)c1ccccc1 795210878 YXUDACFRKAGUNR-MSOLQXFVSA-N 280.371 3.872 30 20 CHED N#C[C@H](C(=O)C1CC(c2ccc(F)cc2)C1)c1ccccn1 796748924 SANVAGLTXYNOQP-XUJLQICISA-N 294.329 3.591 30 20 CHED C/C(=C/C(=O)NCC1(CC#N)CC1)c1cccc(Cl)c1 797565429 OSMMPRBPEKTLOV-XFXZXTDPSA-N 288.778 3.553 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C1CC1 797571026 KZRUPPACTFAUMZ-MWLCHTKSSA-N 276.405 3.663 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C\c1cccc(C#N)c1 799895172 DFFHLTJVWCLJMU-DHDCSXOGSA-N 274.323 3.668 30 20 CHED CCCC[C@@H](C)C(=O)O[C@@H](C#N)C1CCCCC1 800274287 PYYWEAQJLZMLDN-OCCSQVGLSA-N 251.370 3.828 30 20 CHED N#CC1(C(=O)OCc2ccc3occc3c2)CCCCC1 802852367 WPJZRAQKUPYOHH-UHFFFAOYSA-N 283.327 3.950 30 20 CHED Cc1oc(C(C)C)cc1C(=O)OCCC(C)(C)C#N 803719955 ZJLWRJBOLLXKNL-UHFFFAOYSA-N 263.337 3.808 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C2/CC[C@@H](C)C2)cc1 804139148 DELYHKCIFRALKO-IZCBMXNHSA-N 285.387 3.614 30 20 CHED N#Cc1sc(N[C@H]2CCc3ccc(F)cc32)nc1Cl 804440248 AXXHKBUTLIWVFB-JTQLQIEISA-N 293.754 3.907 30 20 CHED Cc1ccc2cc(C(=O)/C=C/c3cn(C(C)C)nn3)oc2c1 806572575 KDFQNYYLAQWEFG-VOTSOKGWSA-N 295.342 3.810 30 20 CHED N#CC1(CSc2ncc3ccccn23)CCCC1 806586302 WOTHXIOCNGVZEK-UHFFFAOYSA-N 257.362 3.510 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(N)cc1C 807990337 YFRXNAVXKPSNKN-UHFFFAOYSA-N 298.346 3.630 30 20 CHED C(=NN[C@@H]1CCSC1)c1ccccc1-c1ccccc1 807999543 PRWQBRWLKMGUKS-MRXNPFEDSA-N 282.412 3.783 30 20 CHED C=C(C)CN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809972576 AHHOMUOXTAOMAH-UHFFFAOYSA-N 289.162 3.910 30 20 CHED C=C(Cl)COc1c(C(=O)OCC)cnc2ccccc12 809984405 IOYUWIDBAUFOIO-UHFFFAOYSA-N 291.734 3.543 30 20 CHED C=CCCCCOC(=O)CCSC(F)(F)F 811012001 UGKPTYOTMQIXEA-UHFFFAOYSA-N 256.289 3.529 30 20 CHED CC(=NN[C@H](C)COc1ccccc1)c1ccsc1 811666225 AVUNJBWPGYHZSX-GFCCVEGCSA-N 274.389 3.529 30 20 CHED FC(F)(F)COc1ccc(C=NOC/C=C/Cl)cc1 811668428 NXOZWNNKZKDZCB-GGXVHQIBSA-N 293.672 3.731 30 20 CHED Fc1cc(C=NOC/C=C\Cl)cc(C(F)(F)F)c1 811669736 IMLVKTFOSTWKKU-YNXSOUFHSA-N 281.636 3.948 30 20 CHED C=CCC(=NOC/C=C/Cl)c1ccc(F)cc1 811671061 MTOPMZHQZWAOQO-NKMRDMNZSA-N 253.704 3.875 30 20 CHED C=CCOc1ccc(C=NOCCOC(C)C)cc1Cl 812238794 FMOFGTISZOBNOQ-UHFFFAOYSA-N 297.782 3.680 30 20 CHED C=CCN(C(=O)CCc1ccc2ccccc2n1)C(C)C 813439901 GABSCPQPEKNSQD-UHFFFAOYSA-N 282.387 3.590 30 20 CHED O=C(/C=C\c1cnn(CC(F)F)c1)c1cccc(Cl)c1 814187220 CYMQZBCAVRWLRY-PLNGDYQASA-N 296.704 3.698 30 20 CHED C=C(Cl)CNC/C(C)=C\c1ccccc1COC 814292877 BHWPIEXCRFWIBU-WQLSENKSSA-N 265.784 3.578 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(CN(C)C)cc1 814693281 GYIDNAMXAKTXQM-UHFFFAOYSA-N 285.366 3.723 30 20 CHED COCC(=NNc1ccccc1F)c1cccc(Cl)c1 814789393 GBJBHOASMKZSJX-UHFFFAOYSA-N 292.741 3.942 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccc(C)nc1C 814867361 ASKIDTXCUAJSDC-UHFFFAOYSA-N 287.794 3.866 30 20 CHED C=CCC(F)(F)C(=O)OC[C@H](OC(C)C)c1ccccc1 815310547 BFVNBJFGCGNJAA-AWEZNQCLSA-N 298.329 3.907 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(OC)c(Cl)c1 815313117 VSVITCWIFAMXKO-UHFFFAOYSA-N 290.693 3.603 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(CC)c(C)c1 815916274 QWFBJTMLPAZUEQ-UHFFFAOYSA-N 253.292 3.707 30 20 CHED CCCCCCCCCC(=O)N(C)[C@H]1CC(C)(C)OC1=O 817069985 UOHCMSKOIHXTTF-AWEZNQCLSA-N 297.439 3.680 30 20 CHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCCO2 818355480 GMXLTRIBLPVUKI-XKQJLSEDSA-N 284.403 3.745 30 20 CHED CCCCCCCC(=O)N1CCC[C@](CO)(C(C)C)C1 819038027 YJFGMCQPAVHCRW-KRWDZBQOSA-N 283.456 3.604 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](C)c1nc2ccccc2o1 819346261 WHZYJTUPLYCAJE-LBPRGKRZSA-N 286.375 3.650 30 20 CHED CCCCCCCCCC(=O)NC1=NC[C@@H](C)S1 819769616 WEQADAMGIZZNRM-GFCCVEGCSA-N 270.442 3.735 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H]1CCO[C@@H](C(C)C)C1 820571676 NTATWARJDFUSCK-ZIAGYGMSSA-N 268.397 3.583 30 20 CHED CC(C)(C#N)CCSCc1ccc(C(=O)O)cc1 826071964 QEBXJTOHACSYNL-UHFFFAOYSA-N 263.362 3.558 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C(=O)O)cc2)ccc1F 832880408 DLXMNBYNYIHCMH-OQFOIZHKSA-N 284.286 3.728 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1cccc(C)c1 833387202 TXPRZCLCMGEKCP-UHFFFAOYSA-N 268.316 3.529 30 20 CHED CC(C)c1nccnc1NN=CC(C)(C)Oc1ccccc1 834976387 DMUZNBAQNPXTKW-UHFFFAOYSA-N 298.390 3.855 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1ccccn1 835059805 DHDXNXRTXHFPPT-ZACQAIPSSA-N 290.366 3.842 30 20 CHED Cc1ccc(Br)cc1NC(=O)C#CC(C)(C)C 837348210 BXOWXNLFOVPTQJ-UHFFFAOYSA-N 294.192 3.746 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1C(=O)C#CC(C)(C)C 837474024 CSXHBRHFOGMORH-SFHVURJKSA-N 283.415 3.818 30 20 CHED FC(F)(F)C(=NOC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 837630926 UBHVERQHJQSHIW-YNEHKIRRSA-N 299.292 3.537 30 20 CHED N#C[C@]1(C(=O)OCC2CCCCC2)CC12CCCC2 837904534 DEXUEOKXWJEYFE-INIZCTEOSA-N 261.365 3.584 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839048004 BHOTXDPEPTZLFK-ZACQAIPSSA-N 285.387 3.881 30 20 CHED CCCc1nc(C)c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)s1 839048716 NYUICUQFESLMJK-NEPJUHHUSA-N 292.404 3.643 30 20 CHED Cc1ccc2ncc(CN(CCC#N)CC(C)C)cc2c1 839494390 LBVUSQKWYULYKZ-UHFFFAOYSA-N 281.403 3.915 30 20 CHED C[C@@H]1CC(C)(C)CN1C(=O)c1ccccc1SCC#N 840530873 CNEWXPRBSLOZKD-GFCCVEGCSA-N 288.416 3.563 30 20 CHED CCC[C@@H](C(=O)Nc1nc(Cl)c(C#N)s1)C(C)C 841224201 JDARCSYDWGDQOE-MRVPVSSYSA-N 285.800 3.679 30 20 CHED CO[C@@H](C=NNc1nccc2sccc12)CC(C)C 841618056 DCRHPQSVBHZTNG-LLVKDONJSA-N 277.393 3.755 30 20 CHED C#CC1CCN(C(=O)c2ccc([C@@H](C)CC)cc2)CC1 843706215 NKCQMGUKKSMOKD-AWEZNQCLSA-N 269.388 3.686 30 20 CHED CC(C)(C)c1cccc(C(=O)OC2(C#N)CCC2)c1 847657750 VMJBZHKXJXFLAT-UHFFFAOYSA-N 257.333 3.587 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ccc(CC(=O)O)cc1 848415514 NBASQYUPQFWZOE-GFCCVEGCSA-N 276.380 3.928 30 20 CHED CCCCCCCCNC(=N)NCC[C@H]1CCO[C@@H](C)C1 849078955 UHTTXTUPTXGOIR-HOTGVXAUSA-N 297.487 3.666 30 20 CHED Cc1cccc(-c2cc(C(=O)O)n(C(C)C)c2)c1C#N 849475799 HOXJGRUYMHTTPI-UHFFFAOYSA-N 268.316 3.614 30 20 CHED CC(=O)c1ccccc1OCCON=Cc1ccccc1C 852235201 WKFMFZYBGMLZGZ-UHFFFAOYSA-N 297.354 3.627 30 20 CHED C=CCCCCCCCCNC(=O)c1c(Cl)cnn1C 854473985 HMKBZXIHHYHBEO-UHFFFAOYSA-N 297.830 3.720 30 20 CHED C=CCCSCCNC(=O)c1ccccc1C(C)C 855384469 KIAAOLRBFUESNG-UHFFFAOYSA-N 277.433 3.849 30 20 CHED CC[C@@H](COC(=O)C(C#N)(CC)CC)CC(F)F 860200205 SKANVJIWEFNRBQ-SNVBAGLBSA-N 261.312 3.541 30 20 CHED CCCCCCCCCCC(=O)N1C[C@H]2C[C@@H]2C1 862553129 HKLSXKYBSDOYIL-HUUCEWRRSA-N 251.414 3.996 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1cccc(F)c1Cl 863158737 OFDPFHKSPWUOBP-UHFFFAOYSA-N 298.745 3.912 30 20 CHED C=CCNc1nnc(SCOC2CCCCC2)s1 865341287 MWVPFMHYOUYSIQ-UHFFFAOYSA-N 285.438 3.535 30 20 CHED C=CC[C@@H](NC(=O)c1sc(C)cc1C)c1ccncc1 865891923 VQVVRJNTDAJKKJ-CQSZACIVSA-N 286.400 3.807 30 20 CHED CC(CCOCc1ccccc1)=NNc1ccnc(F)c1 872363736 OLSMIRFUVPQTOO-UHFFFAOYSA-N 287.338 3.615 30 20 CHED CC[C@H](NC(=O)N1CCC(C#N)CC1)c1cc(C)ccc1C 875880186 ILOOPMGDCWCDLQ-KRWDZBQOSA-N 299.418 3.700 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccccc1OC)C1CC1 878325250 JEFSLMUZYBCMDO-UHFFFAOYSA-N 287.403 3.789 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(COC(C)(C)C)c1 885619310 LYIITMCDZLEWTI-UHFFFAOYSA-N 287.403 3.990 30 20 CHED COc1cc(NC(=O)C2(C#N)CCCC2)cc2ccccc12 887078128 GDEVBLQJNHOXHM-UHFFFAOYSA-N 294.354 3.871 30 20 CHED N#C[C@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 896500298 CLYVDPAIBRBKTQ-SECBINFHSA-N 274.311 3.502 30 20 CHED C=C1CC(c2noc(CCSc3ccc(F)cc3)n2)C1 896889901 MYPNTHCISSNUDQ-UHFFFAOYSA-N 290.363 3.977 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1ccc2c(c1)CCCO2 899386230 LEAJLJOJYJWBSS-FPLPWBNLSA-N 297.354 3.767 30 20 CHED Cc1ccc(Cl)cc1NN=C1C[C@H](C)n2ccnc21 901317268 JOLHSLXMWPCFTE-JTQLQIEISA-N 274.755 3.626 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccsc1C#N 908225193 OAHLZEQUPGNVAM-NWDGAFQWSA-N 290.432 3.907 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C(=O)O)cc1CC 910954866 QMLQSJDRJKCGIZ-UHFFFAOYSA-N 287.359 3.654 30 20 CHED C=C(Cl)COC(=O)CCOc1ccc2ccccc2c1 914910659 CXZORGNGNKSAIK-UHFFFAOYSA-N 290.746 3.904 30 20 CHED CCCCCCCCSc1nc(O)c2c[nH]nc2n1 915794625 FSRNVUCQQQRJDE-UHFFFAOYSA-N 280.397 3.511 30 20 CHED Cc1n[nH]c(C)c1C=NNc1nc(-c2ccccc2)cs1 915955548 GKWIHZKYJIAPDB-UHFFFAOYSA-N 297.387 3.596 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F 916244840 AVJLZVPRHIWQTK-UHFFFAOYSA-N 291.257 3.709 30 20 CHED Cc1cc(C)c(C#N)c(SC[C@H]2CC2(Cl)Cl)n1 916434464 FODHVFMCXWGGAW-SECBINFHSA-N 287.215 3.856 30 20 CHED C=CCN(Cc1cc(C(C)(C)C)cc(O)c1O)C(C)C 917484204 XCEBFADPAAJKHK-UHFFFAOYSA-N 277.408 3.792 30 20 CHED C=CCN(C(=O)NCCc1c(C)cc(C)cc1C)C(C)C 918082195 ZXDVBSUCBMDRAB-UHFFFAOYSA-N 288.435 3.760 30 20 CHED Cc1cccc(NN=Cc2csc(C3CC3)n2)c1 920356963 PLGKANQNENLCSC-UHFFFAOYSA-N 257.362 3.775 30 20 CHED Fc1cc(F)cc(NN=Cc2ccccc2F)c1 920376648 MSGWDDFJKKCQOB-UHFFFAOYSA-N 250.223 3.550 30 20 CHED COc1ccc(C)cc1C=NNc1cccc(F)c1 920384143 QIBFFXDBCJNDGW-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CCOc1ccc(/C=N/C[C@@H]2CC=CCC2)c(O)c1 920990843 GAHBMSJTDDMYGA-LVLBFHFTSA-N 259.349 3.566 30 20 CHED Cc1cc(/C=C2/Cc3c(F)cccc3C2=O)cc(C)c1O 921263923 LBBNMGBSSDKMGZ-JYRVWZFOSA-N 282.314 3.971 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 925104385 YJEMTLIBHAOIQM-ILXRZTDVSA-N 280.456 3.746 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)c1ccnc(O)c1 925754972 KRWAOKBKDNFSPM-ZDUSSCGKSA-N 297.358 3.643 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H](c2ccccc2F)C1 932221770 YQDMMPWVQCEANC-KBPBESRZSA-N 275.367 3.744 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 934424258 BVFGTFGNOBDMMN-RDJZCZTQSA-N 299.414 3.853 30 20 CHED CC[C@H](Nc1ncccc1C#N)c1ccc(F)cc1 1116541031 ZXTMYDFLOJAIAA-AWEZNQCLSA-N 255.296 3.656 30 20 CHED C=CCC1(c2nnc(-c3ccc(Cl)nc3)o2)CCC1 1118138872 NEWNEMRBSMJSCB-UHFFFAOYSA-N 275.739 3.783 30 20 CHED C[C@H](C(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1F 1123464389 ZLJHIFLAHWWKLN-NHYWBVRUSA-N 287.290 3.720 30 20 CHED Cc1cc(C)cc(CNC(=O)[C@@H](CC#N)c2ccccc2)c1 1131546901 QPIJQIYQJORYLL-SFHVURJKSA-N 292.382 3.617 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1cccc(F)c1C#N 1136791502 VEMOSYJRLPIQBL-STQMWFEESA-N 288.366 3.644 30 20 CHED Cc1c(Cl)cnc(NCC2(C)CCCC2)c1C#N 1185323102 JMCRSOGOFFUFMX-UHFFFAOYSA-N 263.772 3.907 30 20 CHED C[C@@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)C(F)(F)F 1262101399 YNAVBIPNJHWFFE-JTQLQIEISA-N 296.292 3.642 30 20 CHED CC(=NNc1ccccc1F)c1c(C)nc2sccn12 1317742455 DNCGZNXBXZNONB-UHFFFAOYSA-N 288.351 3.679 30 20 CHED CC(=NNCC1CCOCC1)c1ccc(-c2ccccc2)o1 1319562774 YBELJGCTAQZACU-UHFFFAOYSA-N 298.386 3.687 30 20 CHED CCCc1nc(C)c(NC(=O)CC#Cc2ccccc2)s1 1324194499 JQCGMFAEDSLUMD-UHFFFAOYSA-N 298.411 3.784 30 20 CHED CCCc1ccc(COC(=O)c2ccc(C#N)cc2)cc1 1324257662 ORFMVVGRZQHHLI-UHFFFAOYSA-N 279.339 3.868 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc3cncn3c2C)n1 1324519982 GQGLTNIOCBSWIH-UHFFFAOYSA-N 282.347 3.546 30 20 CHED CN(C(=O)c1csc(C#N)c1)[C@@H]1CCCc2ccccc21 1325103703 JMAXDLYLYDRDRP-MRXNPFEDSA-N 296.395 3.769 30 20 CHED N#Cc1cc(/C=C/C(=O)C2CCCCC2)cnc1Cl 1327223929 WHFIDWZTBNZWPY-VOTSOKGWSA-N 274.751 3.769 30 20 CHED C[C@@H](OC(=O)C1(C(C)(F)F)CC1)c1cccc(C#N)c1 1327240584 OPQVTACYKBKJCL-SNVBAGLBSA-N 279.286 3.598 30 20 CHED Cc1c(C(=O)Nc2ccc(OCC#N)cc2)ccn1C(C)C 1328232157 DQIVPNCBTZRRAR-UHFFFAOYSA-N 297.358 3.532 30 20 CHED CCN(Cn1cc(-c2ccccc2)oc1=S)[C@@H](C)C#N 1330664097 GLNFKJACXFIYDA-LBPRGKRZSA-N 287.388 3.669 30 20 CHED C=CCOc1ccc(Cc2nnc(CC3CCCC3)o2)cc1 1333122224 POGVXNXSSVZJBV-UHFFFAOYSA-N 298.386 3.958 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(COCC)cc1 1333444700 KQXQQNGRCAEKCF-CYBMUJFWSA-N 261.365 3.764 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc2ncccc2c1 1335874280 LMBWDSXECZOSPH-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CCOc1ccc(N(C)Cc2ccc(C#N)s2)cc1 1336775534 YXWZBQBAPIBPCN-UHFFFAOYSA-N 272.373 3.655 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1ccc(F)cc1F 1346350386 HGMBWUOPRUSBBQ-GHMZBOCLSA-N 295.329 3.940 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1scc(C)c1C#N 1346489901 QHKCATCBHPWBTN-LBPRGKRZSA-N 289.404 3.891 30 20 CHED C=C(CC)C(=O)Nc1ccc(CN2CCCCC2)cc1 1347624854 AMNPVNLTCHVUHM-UHFFFAOYSA-N 272.392 3.577 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccsc1C#N 1349341032 WMZRKUNIYIZMTQ-NSHDSACASA-N 264.394 3.566 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)[C@@H](CC#N)c1ccccc1 1355755033 SDPKRRDXHAGUDD-QAPCUYQASA-N 292.382 3.903 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 1445589011 YSPMUDXTKMQWAW-SUMWQHHRSA-N 296.345 3.581 30 20 CHED Cc1cc(S[C@H](C)C(=O)OC(C)(C)C)ccc1C#N 1459144792 ZYWDNEXUQSTWFU-LLVKDONJSA-N 277.389 3.689 30 20 CHED N#Cc1cc(F)cc(NC[C@@H]2C[C@H]2c2ccccc2)c1 1462506164 WHGQINSDWGITCW-YOEHRIQHSA-N 266.319 3.913 30 20 CHED N#Cc1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]3C2)cc1 1473787419 KVCBVSPKATXKTK-QZTJIDSGSA-N 274.367 3.677 30 20 CHED CC(C)CC[C@@H](C)NC(=O)[C@@H](CC#N)c1ccccc1 1521717074 MBRIALVRHFOTIX-ZBFHGGJFSA-N 272.392 3.625 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)cc1C#N 1528238514 CYZBLIFVFTZWGE-CVEARBPZSA-N 284.403 3.811 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1cc(C#N)ccc1F 1537110907 CFICRJOMRWHTDK-INIZCTEOSA-N 288.366 3.738 30 20 CHED C=C(C)C[C@@H](Nc1ncnc2ccc(C(C)C)cc12)C(=O)O 1588555053 XWLUKKMTGWBTAE-OAHLLOKOSA-N 299.374 3.585 30 20 CHED C=CCCCN(CC)[C@@H](C(=O)O)c1ccc(Cl)cc1 1588801511 MRZCLEMTGVODBA-CQSZACIVSA-N 281.783 3.754 30 20 CHED N#C[C@@H](Sc1ccc(C(=O)O)cc1)C1CCCCC1 1601050241 WJKYUBQYHGCMLE-CQSZACIVSA-N 275.373 3.949 30 20 CHED N#Cc1ccc(SCc2cccc(C(=O)O)c2)cc1 1601114028 ICMIPMQPOSAFSM-UHFFFAOYSA-N 269.325 3.549 30 20 CHED Cc1nsc(NC[C@@H]2CCCC(C)(C)C2)c1C#N 1612494081 UKHSAPLRBPABKH-LLVKDONJSA-N 263.410 3.952 30 20 CHED CC[C@H](Nc1cccc(C#N)n1)c1cc(F)ccc1OC 1612939469 FOLAVTXXVQOMOG-AWEZNQCLSA-N 285.322 3.664 30 20 CHED Cc1ccccc1CN(C)c1ncc(Cl)c(C)c1C#N 1651330317 PGGRTPNAZQYUKL-UHFFFAOYSA-N 285.778 3.860 30 20 CHED COc1ccc2c(c1)C[C@H](Nc1cc(F)cc(C#N)c1)CC2 1657816568 BZSDIFIKPQBLFR-MRXNPFEDSA-N 296.345 3.675 30 20 CHED Cc1c(NN=Cc2ccc(Cl)cc2)cccc1C(=O)O 1776086300 LTWQETQZFXMVCG-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)c1cccc(N)c1 1776088475 OHTKWLBEIPWSIS-UHFFFAOYSA-N 297.358 3.502 30 20 CHED Cc1c(NN=Cc2ccc3cc[nH]c3c2)cccc1C(=O)O 1776088889 ORRKSUDCDVYKTN-UHFFFAOYSA-N 293.326 3.621 30 20 CHED COc1cc(/C=C/C(=O)c2cccs2)ccc1OCC#N 7740094 NBJRUGRQAMQJSG-GQCTYLIASA-N 299.351 3.555 30 20 CHED N#Cc1cc(NCc2c[nH]nc2-c2cccs2)ccc1F 51636021 BMAQLSZQBNTKET-UHFFFAOYSA-N 298.346 3.761 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1CCc1ccccc1 52454275 QMCJDUQYLBIOFW-QGZVFWFLSA-N 277.371 3.555 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1ccco1 56212640 LTVREVQXRBZDEY-UHFFFAOYSA-N 298.342 3.510 30 20 CHED CC(C)c1noc([C@@H](C)Sc2cccc(C#N)c2)n1 177113772 FRFAHOWXEIQVTJ-SNVBAGLBSA-N 273.361 3.918 30 20 CHED CCN(C(=O)CC1CCC1)c1ccc(C#N)c(Cl)c1 179530061 OZXRVLAEGWIKQE-UHFFFAOYSA-N 276.767 3.755 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C)cc1C 106421779 SJFLRWSECZFDOF-UHFFFAOYSA-N 272.392 3.896 30 20 CHED Cc1cc2cc(C(=O)N(C)C3(C#N)CCC3)oc2cc1C 173795096 HSCWNIVRZGHVIV-UHFFFAOYSA-N 282.343 3.568 30 20 CHED C=C(C)CN1CCC(NCc2ccc(C(C)C)cc2)CC1 106245594 JWPWCPRHRXYZQA-UHFFFAOYSA-N 286.463 3.940 30 20 CHED CCC(CC)CC(=O)[C@H](C#N)c1nc2ccccc2o1 177731787 XXVNOIFZINXYIU-LBPRGKRZSA-N 270.332 3.830 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Cl)ccc1OC(F)F 176415489 NHSPCPNRSBUPTF-QMMMGPOBSA-N 289.709 3.636 30 20 CHED C=CCOc1ccc(C(=O)c2ccc(F)cc2)cc1 58800733 JNGPPOYMJYYSJN-UHFFFAOYSA-N 256.276 3.622 30 20 CHED N#C[C@@H](C(=O)/C=C/c1ccccc1)c1nc2ccccc2o1 54735121 GBSIUMKICADNDN-VNDWYCCKSA-N 288.306 3.717 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCC1CCCC1 178388831 ITGRBXHKRWGXAV-UHFFFAOYSA-N 256.349 3.776 30 20 CHED C=C(C)CNC(=S)N[C@@H](c1ccc(F)cc1)C(C)C 61253416 CAFGXQJGMUVQKU-CQSZACIVSA-N 280.412 3.563 30 20 CHED C[C@H](NCc1ccc(C#N)s1)[C@H](C)c1ccccc1 176981256 UMEYRMKYIUZANZ-STQMWFEESA-N 270.401 3.902 30 20 CHED Cc1cc(C)c(CC(=O)Nc2ccc(CC#N)cc2)c(C)c1 179649203 PNQAMDUPCUSHGH-UHFFFAOYSA-N 292.382 3.859 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2c2ccc(C#N)nn2)cc1 301969704 QQWNSRWQQMTCFF-KRWDZBQOSA-N 292.386 3.813 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N(CC)C[C@H](C)C#N 110634554 SDFCPBNWOJFXQB-UKRRQHHQSA-N 290.432 3.565 30 20 CHED CC(C)C[C@@H](CCO)CNc1cc(Cl)ccc1C#N 301437450 SPXBUFLURPTPHY-GFCCVEGCSA-N 280.799 3.668 30 20 CHED C[C@@H]1C[C@@H](C)CN(C(C)(C)CNCC(C)(C)CCC#N)C1 174299092 PAXKZTXTPYQJOI-HZPDHXFCSA-N 293.499 3.662 30 20 CHED N#Cc1cccnc1N1CCC(CCc2ccccc2)CC1 301072918 FVVQUBZVIFEVEH-UHFFFAOYSA-N 291.398 3.802 30 20 CHED N#CC1(C(=O)N2CC3(CCCC3)c3c(F)cccc32)CCC1 119701691 LIDPONMKTNSFPU-UHFFFAOYSA-N 298.361 3.678 30 20 CHED CC[C@H](CC(=O)N[C@]1(C#N)CCC[C@H](C)C1)C(C)C 116798985 ZVMKJZICALPHKW-SQWLQELKSA-N 264.413 3.647 30 20 CHED Cc1cccc([C@@H](C)Nc2ccc(C#N)cn2)c1C 301266915 GTZYVVIGKDCHFZ-CYBMUJFWSA-N 251.333 3.743 30 20 CHED Cc1cc(N2CCCC2)ccc1Nc1ncccc1C#N 301069584 SWKHAUDYCWZZFT-UHFFFAOYSA-N 278.359 3.606 30 20 CHED N#Cc1cccc(SCc2ccc(Cl)nc2)c1 177113661 CSKWLBIACQZKHV-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CCC)c1ccccc1 172055810 YNIINBVURNROMT-DZGCQCFKSA-N 260.381 3.792 30 20 CHED N#Cc1sc(NCc2ccc(Cl)cc2)nc1Cl 236039683 RCMONQCTMQLXDV-UHFFFAOYSA-N 284.171 3.934 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NCc1ccc(C#N)o1 174310377 HKXPGKJPBFBSKL-CQSZACIVSA-N 282.387 3.997 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 127351495 PRBRNHYZDXXLMN-CJNGLKHVSA-N 287.403 3.506 30 20 CHED CCCCCCCCC(=O)N[C@@](C)(C#N)C(C)C 129694534 VJNXLBHRYMBXEZ-HNNXBMFYSA-N 252.402 3.791 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](O)c1ccc(Cl)cc1 120465450 MBFSEKZHTZVDLP-HUBLWGQQSA-N 267.800 3.564 30 20 CHED C[C@@H]1CN(c2ccc(F)cc2C#N)[C@@H]2CCCC[C@@H]12 302067020 BAWHEFNZAPPXQP-DIOULYMOSA-N 258.340 3.712 30 20 CHED N#Cc1ccc(NCc2ccc(OC(F)F)cc2)c(F)c1 63508113 KETAISVMAFGKET-UHFFFAOYSA-N 292.260 3.911 30 20 CHED COc1cccc(N/C(N)=N/C[C@H](C)c2cccc(C)c2)c1 304810634 WPHDKFREMRFKNZ-AWEZNQCLSA-N 297.402 3.534 30 20 CHED N#C[C@@H](NC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 68457303 BDRWZGQQKHLNPO-LLVKDONJSA-N 295.125 3.581 30 20 CHED COc1ccc(N/C(N)=N/CCCCC(C)(C)C)cc1 303984725 SIUPUMQDYSRDSR-UHFFFAOYSA-N 277.412 3.638 30 20 CHED CC(C)(CNCc1ccc(C#N)c(F)c1)c1ccccc1 404127275 NLNADZUDGLTPCI-UHFFFAOYSA-N 282.362 3.765 30 20 CHED CCSc1cc(CNc2ccc(F)cc2C#N)ccn1 302410909 LLEVBBXWBSNUOT-UHFFFAOYSA-N 287.363 3.816 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(CSCC)c1 128788641 MKKYGZUQYSXUQS-ZDUSSCGKSA-N 293.432 3.859 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@@H]2CC)c1 186435703 YUOMLCMKPOLNJJ-CJNGLKHVSA-N 288.391 3.904 30 20 CHED C[C@@H]1CCC[C@H](N(C)c2nc(C(F)(F)F)ccc2C#N)C1 78833614 ANPGJDGBWYWJSW-PWSUYJOCSA-N 297.324 3.987 30 20 CHED C=CCCCC(=O)N1CCc2c1cccc2C(F)(F)F 185760612 KNOSCTGLPNRBSM-UHFFFAOYSA-N 283.293 3.951 30 20 CHED C=CCSCCNC1CC(c2ccccc2C)C1 127478565 SIDJJFJQLZIQCD-UHFFFAOYSA-N 261.434 3.750 30 20 CHED CC(C)c1csc(CN[C@@H](C)c2cccc(C#N)c2)n1 181910672 HNAKCNCIHBJXPU-LBPRGKRZSA-N 285.416 3.989 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 189653176 OTPFHINWSVHYPL-ZBEGNZNMSA-N 298.329 3.798 30 20 CHED CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2ccccn2)s1 121509410 GDGBIALJJHPRGV-LLVKDONJSA-N 284.384 3.931 30 20 CHED CS[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(C)c2)C1 443995453 QXCRXZAEJLXPIL-HZPDHXFCSA-N 274.433 3.631 30 20 CHED C=CCCCC(=O)Nc1sc(C)c(C)c1C(=O)OCC 480685467 WILWRBQNGMBSQZ-UHFFFAOYSA-N 295.404 3.836 30 20 CHED Cc1cccc(C)c1OC[C@H](NCCC#N)c1ccccc1 411469303 AIDSVYISXSXYCA-SFHVURJKSA-N 294.398 3.927 30 20 CHED Cc1nc(C)c(CSCC2(C#N)CCC2)s1 419435589 LKXIABMVFJHPMN-UHFFFAOYSA-N 252.408 3.687 30 20 CHED CCOCCC1(CNc2c(Cl)cccc2C#N)CC1 127744175 MQPDEPXBDQDTHD-UHFFFAOYSA-N 278.783 3.830 30 20 CHED C=CCC(CC=C)C(=O)N(CC)Cc1cccc(F)c1 121913670 PMIPTDFZYIXUMD-UHFFFAOYSA-N 275.367 3.943 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1C(C)C 77179522 FYTBEFZHUQKVEZ-UHFFFAOYSA-N 252.745 3.684 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(Cl)cc1CC#N 410966643 LEEVFMZVCUGQBG-SNVBAGLBSA-N 264.756 3.781 30 20 CHED CCCC(C#N)(CCC)NC(=O)CO[C@H]1CCC[C@H](C)C1 121722217 XQZFDACHKRZFDM-GJZGRUSLSA-N 294.439 3.560 30 20 CHED CC(C)(C#N)CCSc1nnc(Cc2cccs2)o1 124024912 FOUOYOYIFPNQCO-UHFFFAOYSA-N 293.417 3.754 30 20 CHED CN(C(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 315568518 NGORBDJYXWVONV-UHFFFAOYSA-N 286.334 3.988 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1C 127868610 MUCQKVOFKBRUKF-LLVKDONJSA-N 292.795 3.530 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@H](C)CC(F)(F)F 416922792 PBDDMOMCCLIRGM-SECBINFHSA-N 299.296 3.577 30 20 CHED CO[C@H](CN[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1 181998754 GUTITVBZFBRYKX-FZKQIMNGSA-N 298.361 3.736 30 20 CHED CCN(CCC1CCN([C@@H](C)CCC#N)CC1)CC(C)C 411438210 BLGVZXHVNFCPAW-KRWDZBQOSA-N 293.499 3.759 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)c1ncc(C)s1 183852105 YKLPLQQMDZVNSB-VXGBXAGGSA-N 295.452 3.599 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2ccc3sccc3c2)C1 612238732 SVDGCXCZTROVLA-INIZCTEOSA-N 284.384 3.667 30 20 CHED Cc1ccccc1[C@@H]1CCCN1c1ccc(C#N)cn1 48566534 OQVUTFWVRPXDJE-INIZCTEOSA-N 263.344 3.603 30 20 CHED C=C(Cl)CNCc1ccc(C)cc1Br 159638190 RYFRGCAXNSEJAJ-UHFFFAOYSA-N 274.589 3.600 30 20 CHED N#Cc1ccc(F)c(CSCC2(C#N)CCC2)c1 419584709 PHXWPIYEUDXPMI-UHFFFAOYSA-N 260.337 3.624 30 20 CHED C=CC[C@@H](C(=O)N(CC)CC(=C)C)c1ccccc1 186415787 PNYTZPMDZYMOFL-MRXNPFEDSA-N 257.377 3.771 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc(-c2ccccc2)ns1 410824003 BOWFBPVONNUIDW-CYBMUJFWSA-N 299.399 3.574 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(Cl)nc2)ccc1Cl 136777094 VMXZFQAJLKGSRV-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 504655624 SGGGTWCWCPRASX-FMPTWSOUSA-N 295.386 3.504 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC[C@H](C)c1ccccc1 509928239 ROIZZNNSXJNAAN-AWEZNQCLSA-N 292.382 3.790 30 20 CHED C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccs1 411128516 TWESHDIOBANHNG-TUKIKUTGSA-N 296.395 3.601 30 20 CHED C=CCCCNc1cc(OC)ccc1Br 83119662 SLSNEOIOKDEAQH-UHFFFAOYSA-N 270.170 3.836 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1cc(F)cc(F)c1 88305148 IVEVGKGHGUQTQG-SNAWJCMRSA-N 260.239 3.567 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)NCC#Cc1ccccc1 45430964 JSVHBHINBOEXKO-AWEZNQCLSA-N 298.411 3.502 30 20 CHED O/C(=N/[C@H]1CSc2ccccc21)c1ncoc1C1CC1 328888456 POSIVLJMDURDTD-NSHDSACASA-N 286.356 3.704 30 20 CHED CC[C@@H](C(=O)[C@@H](C#N)c1nc(C)cs1)c1ccccc1 41516932 WVQLBCFCEUNREK-ZIAGYGMSSA-N 284.384 3.822 30 20 CHED C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(C#N)cc1 83079960 MRNDQJRCIJYSPJ-MPBGBICISA-N 287.359 3.707 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/CC[C@@H]1C[C@H]2CC[C@H]1C2 329525100 QVFNHWVBJFBPQH-FPMFFAJLSA-N 288.391 3.991 30 20 CHED C=CC1CCN(C(=O)c2ccccc2SCC)CC1 518379707 XVEBSPLEIHIDMM-UHFFFAOYSA-N 275.417 3.837 30 20 CHED CC1(C/N=C(/O)c2snnc2C2CC2)CCCCC1 329495300 FPKOSVQSPZIQPE-UHFFFAOYSA-N 279.409 3.691 30 20 CHED C=C[C@@H](CC(=O)N1CC(C2CCC2)C1)c1ccccc1 517252277 FYQYLGQKBUTPMT-AWEZNQCLSA-N 269.388 3.605 30 20 CHED C=CCCCCCNC(=O)Cc1ccc(Cl)c(OC)c1 519176511 AEJWSYLSYHWZHD-UHFFFAOYSA-N 295.810 3.754 30 20 CHED OC1=NC[C@H](/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)CC1 329346260 RICSBBIFQYXOHO-RDBSUJKOSA-N 278.396 3.526 30 20 CHED CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)NCCC#N)cc1 426429329 XKYODGIWGFODOD-INIZCTEOSA-N 299.418 3.744 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCCC2)c(F)c1 190779001 ZEIARODJGUTLHC-KRWDZBQOSA-N 290.382 3.967 30 20 CHED Cc1nc(CNc2ccc(C#N)c(C(F)(F)F)c2)oc1C 88191553 PSPUXKXRLWGBKO-UHFFFAOYSA-N 295.264 3.794 30 20 CHED CCCCN(CC(F)(F)F)C(=O)c1cccc(C#N)c1C 337881672 VDRYBBSHFWHSOW-UHFFFAOYSA-N 298.308 3.671 30 20 CHED Cc1ccc(Br)cc1Oc1ncccc1C#N 228333547 QNVAMPLJZKKLHM-UHFFFAOYSA-N 289.132 3.817 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(C2CC2)c1 421348334 BGJYIGCRANPQKS-MSOLQXFVSA-N 271.404 3.635 30 20 CHED CC[C@H](C(=O)N1CCc2c(C#N)cccc21)c1ccccc1 421653383 YOMURZRJEBCREL-INIZCTEOSA-N 290.366 3.641 30 20 CHED CO[C@@H]1CC[C@H](/N=C(/O)Nc2cc(SC)ccc2C)C1 330977362 FQOYLVQHQJBDSB-NWDGAFQWSA-N 294.420 3.610 30 20 CHED CCc1cc(O)nc(CS[C@H](C)c2cccc(C#N)c2)n1 190810863 CFICHHNHJJARNF-LLVKDONJSA-N 299.399 3.611 30 20 CHED CC1(C)C(C/N=C(/O)c2cc(O)nc(C3CC3)c2)C1(C)C 330103372 IQEXWYGJEQNBPM-UHFFFAOYSA-N 288.391 3.651 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)N[C@H]2CCC[C@@H]2C#N)c1 331469850 CLQHYIKJJPSXOJ-IKGGRYGDSA-N 297.402 3.534 30 20 CHED CC[C@@H](C)CC(=O)Oc1c(Cl)cc(C#N)cc1OC 191848476 FLQOESDYCFTPMP-SECBINFHSA-N 281.739 3.562 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)cc(C)c1Cl 337731007 FKQZAUWTWPHCJF-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CCCCCCCC(=O)N1CCSCC[C@@H]1C 190095832 AKRKVASYMSZJJF-ZDUSSCGKSA-N 257.443 3.701 30 20 CHED Cc1ccc(CN(C)Cc2cc(C#N)cs2)s1 93049439 OQZIGCRSXMEDQO-UHFFFAOYSA-N 262.403 3.622 30 20 CHED C=CCCC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 338618655 YSKBCFIABQJEEV-UHFFFAOYSA-N 286.297 3.676 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N(C)C2CCCC2)c1C 331149513 UAIDUPSSVKBTPZ-NSHDSACASA-N 278.400 3.582 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCC(C)(C)CC1 338815365 ZMEBOQQHGZMAKL-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@H](C)C[C@@H](C)C1 514615893 NIMRFAPBSVQXIB-ZIAGYGMSSA-N 288.439 3.604 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(F)c(F)c2)c1 96297667 RHQDHEBZIMWUPN-YVMONPNESA-N 274.266 3.870 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1cc(C#N)cs1 437331283 HYYBSPJVIZXVKC-LLVKDONJSA-N 264.394 3.566 30 20 CHED CC(C)(C#N)CCN1CCc2ccc(Br)cc21 537362613 GLZNWERMXYEORE-UHFFFAOYSA-N 293.208 3.751 30 20 CHED Cc1cc2cc[nH]c2cc1N=C(O)[C@@H]1CCCOCC1 330209360 BRLAOYWWYGPNMH-GFCCVEGCSA-N 272.348 3.881 30 20 CHED C=CCNc1nc(C)nc2scc(CC(C)C)c12 338313934 FCOLFBHNUNKIEX-UHFFFAOYSA-N 261.394 3.796 30 20 CHED CSc1ccc(CCNCc2ccc(C#N)cc2)cc1 435740274 JKVXYLXECWHSRO-UHFFFAOYSA-N 282.412 3.612 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ncc(C(C)C)s1 439422206 PSOFCJFLKZIHEI-SNVBAGLBSA-N 267.398 3.743 30 20 CHED N#Cc1ccnc(NCCc2ccc(F)c(F)c2)c1Cl 520631035 LAZJALXLQDCPSL-UHFFFAOYSA-N 293.704 3.539 30 20 CHED CC(C)(C)OC(=O)CCCSc1ccc(C#N)cc1 342563433 XJDQKARVZITOQO-UHFFFAOYSA-N 277.389 3.772 30 20 CHED Cc1cccc(-n2ccnc2SCC2(C#N)CC2)c1 347016374 CELSRQQFKMMNSY-UHFFFAOYSA-N 269.373 3.577 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 342109399 WEFRPCQVRVVWSU-SMDDNHRTSA-N 290.407 3.865 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 345486831 GTHAAFLBZDXWOS-HZPDHXFCSA-N 273.351 3.566 30 20 CHED Cc1ccc(OCCNc2ccc(C#N)cc2F)c(C)c1 523077606 RSLRCAYMTKSBQM-UHFFFAOYSA-N 284.334 3.805 30 20 CHED C=CCCN(CC)c1cccc(Br)c1 606897066 LVTXHWQZHRDFTI-UHFFFAOYSA-N 254.171 3.852 30 20 CHED Cc1ccc(Cn2cc(C)c(C#N)c2)cc1Br 527112084 QBSSHSQUYXEGCG-UHFFFAOYSA-N 289.176 3.787 30 20 CHED CC#CCN1CCCCC[C@H]1c1ccc(OC)cc1 607724001 FURZAETXPLDDAQ-KRWDZBQOSA-N 257.377 3.636 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccccc1C(F)(F)F 540398342 OJTIODKDZGFRMD-RYUDHWBXSA-N 287.325 3.541 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC=CC[C@@H]1C 341165437 YWVUIWNRNRALES-YJBOKZPZSA-N 294.398 3.675 30 20 CHED CC(C)N(C)c1ccccc1CNCc1cccc(C#N)c1 438345297 MAUYMEQQSNDMNW-UHFFFAOYSA-N 293.414 3.693 30 20 CHED C[C@H](CCC#N)CN(Cc1ccccc1)C[C@@H]1CCCO1 602450825 ZDPMRBLKADYYKD-AEFFLSMTSA-N 286.419 3.607 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)CCC#N)c(F)c1 348196669 HQDTZHFISUJIIC-GFCCVEGCSA-N 278.371 3.815 30 20 CHED C=CC1CCN(Cc2cc(-c3ccc(OC)cc3)no2)CC1 600683428 YDQLQEPXHNGDKH-UHFFFAOYSA-N 298.386 3.748 30 20 CHED C[C@@H](CCC#N)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 340641965 JZIPMHNBEMKJRO-VIFPVBQESA-N 292.795 3.909 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2cccc(C#N)n2)c1 602440496 PSPDSKYQKSYMIL-GOSISDBHSA-N 277.371 3.599 30 20 CHED Cc1ccccc1NC(=S)NN=C/C=C/c1ccccc1 252475009 QLGMFJKWNOVWEO-CICINJRRSA-N 295.411 3.981 30 20 CHED C=CCCCCCN(C)c1cnc2ccccc2n1 523534559 BICDKJNQLZRKOT-UHFFFAOYSA-N 255.365 3.812 30 20 CHED C=CCCCc1nc(-c2ccc(Cl)s2)no1 445560495 XFQJEYAGOMHVFK-UHFFFAOYSA-N 254.742 3.960 30 20 CHED C=CC[C@H]1N(Cc2ccoc2C(=O)OC)CCCC1(C)C 444791937 NTGBTYDQOYAERX-CQSZACIVSA-N 291.391 3.633 30 20 CHED C=C[C@@H](CC(=O)NCc1oc(CC)nc1C)c1ccccc1 347735412 OKUZQYSMIPJOMS-AWEZNQCLSA-N 298.386 3.522 30 20 CHED O=C(/C=C\c1ccc(F)cc1Cl)c1cc(O)cc(O)c1 255669767 FYSYPDQWCIYXOH-RQOWECAXSA-N 292.693 3.786 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)CC(C)(C)C 448914752 CAJVJKHJYBZNQD-KBPBESRZSA-N 264.413 3.601 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(SCC#N)c1 357165384 XUPBPNDDMJNVKG-GXTWGEPZSA-N 288.416 3.705 30 20 CHED C[C@H](CCC#N)CNCc1ccc2sccc2c1 602669780 KEBRDFUKWYIFJN-GFCCVEGCSA-N 258.390 3.931 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 358290251 DPFHKKZHWPIVIT-UWVGGRQHSA-N 271.307 3.522 30 20 CHED N#CC[C@H](CC(=O)Nc1ccc(Cl)cn1)c1ccccc1 354783016 BRKKNBCPPQHMOU-CYBMUJFWSA-N 299.761 3.761 30 20 CHED CCc1ccsc1C(=O)N(CCC#N)CCC(C)C 264081144 QBUIZKNBUFEMNY-UHFFFAOYSA-N 278.421 3.712 30 20 CHED C=CCCNc1cc(F)ccc1OCC(F)(F)F 530730814 BMRRCFRHLKUBML-UHFFFAOYSA-N 263.234 3.755 30 20 CHED C=CCOCC(=O)N(C)Cc1ccccc1-c1ccccc1 354828866 AKAGZYUBNJHPGY-UHFFFAOYSA-N 295.382 3.515 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1cccc(OC)c1 268196685 XPWWWCYZOPRXHO-ZDUSSCGKSA-N 273.376 3.641 30 20 CHED CCc1cccnc1NC(=O)C[C@H](CC#N)c1ccccc1 359849434 CUZLNSAPCTXINF-INIZCTEOSA-N 293.370 3.670 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(C2CC2)cn1 445674575 UOVODIKMQXZMBW-UHFFFAOYSA-N 298.411 3.849 30 20 CHED C=CCCCC(=O)N(C)[C@@H]1CCCc2ccccc21 530648096 NCVHRLZQBGUGBY-MRXNPFEDSA-N 257.377 3.879 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCC(C)(C)C1 443166148 IMLPLHCTRRKWTL-INIZCTEOSA-N 299.418 3.668 30 20 CHED C=C(CNC(=O)N[C@H](C)CCSCC)c1ccccc1 354004479 BSRAOINOAXQBJA-CQSZACIVSA-N 292.448 3.531 30 20 CHED C[C@@H]1CCc2c(sc(NC(=O)CC3(C)CC3)c2C#N)C1 617441505 JNKFSUIKRPRXRF-SNVBAGLBSA-N 288.416 3.873 30 20 CHED Cc1nc(-c2ccc([C@@H](C)N[C@@H](C)C#N)cc2)cs1 358866128 RNKDCDUTSOXMEE-WDEREUQCSA-N 271.389 3.681 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3ccncc3c2)C1 617777505 QPKGDCZCWXXELC-CQSZACIVSA-N 280.371 3.663 30 20 CHED C=CCC[C@H](NCc1ccnc(SC)c1)C1CC1 357873417 RHQQFLPVFATZDD-AWEZNQCLSA-N 262.422 3.638 30 20 CHED CC(C)CN(C(=O)C[C@@H](CC#N)c1ccccc1)C(C)C 355443986 MIIVVTHGGCVGKJ-QGZVFWFLSA-N 286.419 3.967 30 20 CHED C=CCCCCCN(C)Cc1c(CC)nn(C)c1CC 536671438 OJQRLCIXWNRGBD-UHFFFAOYSA-N 277.456 3.723 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 618735274 JZXADUCKDDAWDR-GLJUWKHASA-N 296.414 3.878 30 20 CHED C[C@H](C#N)CN(C)[C@H](C)c1nc2ccccc2n1C(F)F 264194178 GMESJZQCWOXXTN-GHMZBOCLSA-N 292.333 3.584 30 20 CHED Cc1cccc(OC[C@H](C)NC2CCC(C)(C#N)CC2)c1 449089642 DMTGAHKOKQJNND-HJOIGYKYSA-N 286.419 3.824 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(OC)c1OC(C)C 614396655 PTPJHZNJMGTLEQ-ZDUSSCGKSA-N 291.391 3.567 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1 533905704 AUKWSHFELLCFLB-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=CCCNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 617611013 IVILLYJARRGDBF-SNVBAGLBSA-N 271.282 3.658 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(Cl)c1 618743119 XEPJHRWZDVGDEO-QGZVFWFLSA-N 282.774 3.989 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 617789911 XRGREUXNKVWHAO-ZDUSSCGKSA-N 269.344 3.861 30 20 CHED C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)s1 612239841 ZQHVCGZENLWFGD-YGRLFVJLSA-N 296.823 3.657 30 20 CHED C=CCn1c(SCC[C@@H]2CCOC2)nc2ccccc21 450612367 RBORWSPVOVAUSC-ZDUSSCGKSA-N 288.416 3.741 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 459323802 VPEIGEFJDZRVJX-VHDGCEQUSA-N 290.432 3.634 30 20 CHED C=C[C@@H](CC(=O)NCC1CCCC1)c1ccccc1 534651583 XLZGZAOIKUQRGH-HNNXBMFYSA-N 257.377 3.653 30 20 CHED CC(C)(C)c1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1 612366252 PCPKGFFYCOPWQJ-SFHVURJKSA-N 284.403 3.750 30 20 CHED CC(C)Oc1ccc(CN2CC[C@](F)(C#N)C2)cc1Cl 615647490 YXAMZAVMFWYJEO-HNNXBMFYSA-N 296.773 3.565 30 20 CHED C#CCCCN[C@H](C)c1ccc(OCC(F)(F)F)cc1 268936841 OETFSWHURXTCOR-GFCCVEGCSA-N 285.309 3.692 30 20 CHED N#Cc1cc(SCc2ccc(C(F)(F)F)cc2)ncn1 530374338 FCMRJKLCIJZKFX-UHFFFAOYSA-N 295.289 3.659 30 20 CHED CC(C)(C)OCCCN1CC=C(c2ccc(C#N)cc2)CC1 611245218 MEKIVVKCEFRLRC-UHFFFAOYSA-N 298.430 3.853 30 20 CHED C=CCC1(C(=O)N[C@@H](C)C(C)(F)F)CCCCC1 452881249 XGBPJNCPSNWJFH-NSHDSACASA-N 259.340 3.673 30 20 CHED CC[C@H](NCc1cccc(N(C)C)c1)c1ccc(C#N)cc1 278742323 NKHCNUXMDNAWLC-IBGZPJMESA-N 293.414 3.865 30 20 CHED CC(C)(C)CCCC(=O)N[C@H]1CCc2cc(C#N)ccc21 618739807 SJPKISRYIYLUHT-INIZCTEOSA-N 284.403 3.878 30 20 CHED C=CCCN(Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 549187334 LSUJTNKMVLGIAJ-AWEZNQCLSA-N 289.419 3.880 30 20 CHED C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 276052161 YERCMUNPFYSSPJ-SGTLLEGYSA-N 283.371 3.696 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](c1ccccc1)C(C)C 452773568 IWJUYGZAONCADO-OAHLLOKOSA-N 259.393 3.755 30 20 CHED C=CCC1(c2nc(-c3cccc(C)n3)no2)CCCC1 453082838 HJKAFIXTSXRIBQ-UHFFFAOYSA-N 269.348 3.828 30 20 CHED C=CCCCCNC(=O)c1cnn([C@H](C)CC)c1C1CC1 274515369 YSDSSXJDPCEVFY-CYBMUJFWSA-N 289.423 3.818 30 20 CHED CC(C)(C#N)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 279070746 UAITYHSRYHAYKD-UHFFFAOYSA-N 295.264 3.848 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)c1ccccc1 273055978 RUAPREYHGMPRTJ-OAHLLOKOSA-N 283.371 3.640 30 20 CHED N#Cc1cc(C(=O)N2CC[C@H]2c2ccccc2)ccc1Cl 543632343 NSYKVULNYMRBEG-INIZCTEOSA-N 296.757 3.799 30 20 CHED CC1(C)CO[C@H](c2ccccc2)CN1CC1(C#N)CCC1 450342395 AEGJAEFJFSQSET-INIZCTEOSA-N 284.403 3.532 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 540706606 CLSKRFNAWLGFFY-TYNCELHUSA-N 260.356 3.927 30 20 CHED CCC(CC)CN(CCC#N)Cc1cn2c(C)cccc2n1 362188991 UEWULUBICWDKSP-UHFFFAOYSA-N 298.434 3.795 30 20 CHED Cc1cccc2cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)oc12 277927821 NOEXFFMBEGVPBB-OAHLLOKOSA-N 296.370 3.896 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H]1CCCC[C@@H]1CC 459010661 XCZNSSBVMDPZFQ-KBPBESRZSA-N 252.402 3.563 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1ccc(F)cc1F)C1CC1 271350373 DGSQCSOOBSJRNW-HNNXBMFYSA-N 294.345 3.776 30 20 CHED CCOc1ccccc1[C@@H](CC)NC(=O)CC(C)(C)C#N 278741082 OSXUCNQSFKTWLU-CQSZACIVSA-N 288.391 3.592 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CC(C)(C)C#N 278175522 BSRWIHLAGHOWLY-CYBMUJFWSA-N 288.391 3.658 30 20 CHED C=CCC[C@@H](CCC)NCc1cn2cccc(C)c2n1 545191519 ZGNWTGAEMPUAPK-OAHLLOKOSA-N 271.408 3.867 30 20 CHED C=CCCOCC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 620190947 CZYVZYHSDHVQKV-INIZCTEOSA-N 289.419 3.873 30 20 CHED CS[C@@H](CNc1cc(C(C)=O)ccc1C#N)C(C)(C)C 543479520 DXTOUXFVDXXCQP-HNNXBMFYSA-N 290.432 3.950 30 20 CHED C=CCC[C@H](C(=O)N[C@H](COC)C(C)C)c1ccccc1 548289536 DKDILOLBSKWRLF-DLBZAZTESA-N 289.419 3.524 30 20 CHED N#Cc1cc(N[C@H]2CCc3ccc(F)cc32)ccc1[N+](=O)[O-] 546622345 UDRBMFMWBDFPAC-HNNXBMFYSA-N 297.289 3.705 30 20 CHED CCC[C@@H](C#N)NC(=O)CCCCCc1ccc(F)cc1 547959955 XEOGEWINERXUEY-INIZCTEOSA-N 290.382 3.737 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](C)C2(CCC2)C1 466328034 QCLAASNYDGIOAL-KBPBESRZSA-N 264.413 3.563 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OCCC)c(F)c1 627038871 UXLMJNFFWGUDJB-UHFFFAOYSA-N 292.354 3.820 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2cnc3ccsc3c2)no1 288886365 AHYRUKGKWANIEE-AWEZNQCLSA-N 284.344 3.538 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2cccc(F)c2)CCC1 466541894 PHOQHPKAXRNHBZ-OAHLLOKOSA-N 275.367 3.718 30 20 CHED C=CCN(C(=O)N[C@H]1CCCC[C@H]1CCC)C1CC1 557217910 FFYGQZFYOSZIJA-HIFRSBDPSA-N 264.413 3.705 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C)=C(C)C1 460956091 AEKGXSYXXKPLNW-CYBMUJFWSA-N 288.439 3.914 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(-c2nc(C)no2)ccc1C 559294238 IMXYQASPVXXCRQ-UHFFFAOYSA-N 299.374 3.894 30 20 CHED C[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1 282489101 IYJGYYUWFQDNJK-RISCZKNCSA-N 292.329 3.561 30 20 CHED C=CCC[C@H](CC)NC[C@](C)(CO)Cc1ccccc1 477844041 HUSBMJJQXKXKTC-ZWKOTPCHSA-N 275.436 3.562 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C)c(OC)c1C 473636381 FDDPFERZOWBGKC-UHFFFAOYSA-N 276.380 3.790 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)C(F)(F)F)CCCC1(C)C 470304351 VOOHZXODFDBSCO-QWRGUYRKSA-N 277.330 3.778 30 20 CHED CC(=NNc1ccnc(F)c1)c1c(F)cccc1Cl 807982608 HFVOIZIMEANWRH-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=C(C)[C@@H](NC(=O)CCC1CC1)c1ccc(F)c(F)c1 475700896 XPTDDZUUSCLUBD-MRXNPFEDSA-N 279.330 3.888 30 20 CHED C#Cc1ccc(CNc2ccc(NC(=O)C3CC3)cc2)cc1 809596325 CKYDPDZEKXJHLN-UHFFFAOYSA-N 290.366 3.629 30 20 CHED N#Cc1cccnc1NCc1cc(Cl)cc(Cl)c1O 808087041 NDJUPKFLUITGCO-UHFFFAOYSA-N 294.141 3.578 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCc1ccc(C(C)C)cc1 473693812 LCYJQMIVAXFKKN-GOSISDBHSA-N 289.419 3.655 30 20 CHED C#Cc1cccc(Nc2nc(-c3cscn3)cs2)c1 806554066 IWOLOBBAGGQLLI-UHFFFAOYSA-N 283.381 3.992 30 20 CHED C#C[C@H](CC)N[C@H](C)Cc1ccc(Br)c(F)c1 809686392 QHYXPLMBGPXPCW-ZYHUDNBSSA-N 298.199 3.521 30 20 CHED C=CCC1(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CCC1 294119966 KITGWAZZVHDJHJ-OAHLLOKOSA-N 285.387 3.875 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@@H](C#N)C1 471586415 CKPSQPFWFNLJNW-OIISXLGYSA-N 274.383 3.675 30 20 CHED C#Cc1cc(F)c(NCc2nnc(C(C)C)s2)c(F)c1 297502709 CCWZEGDFEFKLBE-UHFFFAOYSA-N 293.342 3.533 30 20 CHED C=C(C)CN(CC)C(=O)c1c(Cl)ccc(F)c1C 474790053 IULDXFXRXZRBJH-UHFFFAOYSA-N 269.747 3.826 30 20 CHED CCC(O)(CC)C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1 566488802 CYTMDCKOGZKAGP-AWEZNQCLSA-N 288.435 3.786 30 20 CHED S=C(NN=C1CCC[C@H]2C[C@@H]12)Nc1cccc(Cl)c1 800806377 FCVOHKBPTZNYII-JOYOIKCWSA-N 293.823 3.802 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](c1ccccc1)C(C)C 472733327 HQHKNQPSWMBZKI-IRXDYDNUSA-N 261.409 3.643 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(OC)cs2)CCCC1(C)C 470302043 CUAXPDSAJKEYRQ-AWEZNQCLSA-N 293.432 3.964 30 20 CHED C=CCCCCCCNC(=O)c1cc(-c2ccco2)on1 805218965 QTPUEPJJVYTGSI-UHFFFAOYSA-N 288.347 3.801 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)C(=O)CCCC#N 292742865 VEBFKEKOLFIUQQ-NSHDSACASA-N 264.756 3.553 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](N)c1cccc(Cl)c1 648085620 PIUNJZHQWPHDNH-HNNXBMFYSA-N 294.826 3.545 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2/C=C\c2ccccc2)nc1 568103761 KCLNELFSGJTWTQ-JQYPEGPJSA-N 289.382 3.631 30 20 CHED C[C@H](O)c1cc(NCCCC(C)(C)C#N)ccc1F 292440046 MSJZHGWJCWGEAD-NSHDSACASA-N 264.344 3.621 30 20 CHED C=CCCCCCN1CCN(C)[C@@H](Cc2ccccc2)C1 560170529 NZVVSZBDMROLBA-IBGZPJMESA-N 286.463 3.592 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](OC)[C@@H](C)CC)CCCC1(C)C 477121872 OCBYSZVZTAOYPR-SOUVJXGZSA-N 281.440 3.641 30 20 CHED CC1=C(C)C[C@H](C(=O)N(CCC#N)CCC(C)C)CC1 565953437 RJXWCCOKYQIXMC-MRXNPFEDSA-N 276.424 3.911 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 568113380 IQNCIABWUKTWAU-LLVKDONJSA-N 292.810 3.869 30 20 CHED Fc1cc(F)cc(C2CC(=NNc3ccccn3)C2)c1 814731968 RGZFXHVNDODKMT-UHFFFAOYSA-N 273.286 3.705 30 20 CHED C=CCCCCOC(=O)C1(c2ccc(N(C)C)cc2)CC1 816088932 AGBFKBUBPGCOJX-UHFFFAOYSA-N 287.403 3.684 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc(F)cc2C)no1 561888401 GKZFFSJLMNACLQ-MRXNPFEDSA-N 290.338 3.664 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 486467010 XYTMHZCGUNXVAS-OAHLLOKOSA-N 297.402 3.605 30 20 CHED C=CCC(F)(F)C(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 815439251 IJOZJEZOKXAPBI-WDEREUQCSA-N 259.340 3.623 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc3c(c2)CCCO3)n1 569844925 JEQFEFHCBXRHEO-UHFFFAOYSA-N 298.386 3.839 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c(Cl)cc1[N+](=O)[O-] 819945454 STFMNYNXRRJPII-VHSXEESVSA-N 279.727 3.661 30 20 CHED C=CCCCCNc1cccc(-c2nnc(C)n2C)c1 562772211 IILUXTMFLOYOFP-UHFFFAOYSA-N 270.380 3.559 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCCCC12CCCC2 816781660 RMFKHAXQKSVGJC-GFCCVEGCSA-N 271.351 3.817 30 20 CHED CCCCCCCC(=O)N1CCCO[C@@H](C(C)C)C1 819403642 CAFJCAPWWMWZMA-OAHLLOKOSA-N 269.429 3.620 30 20 CHED CC(=NOCc1ccc(F)cc1)c1csc(C(=O)O)c1 814903432 JBXHMQVBCZQJRE-UHFFFAOYSA-N 293.319 3.526 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CC=CCC1 570916739 ZLEAZALADROWLP-HNNXBMFYSA-N 275.392 3.506 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@@H]1CCC(C)C 810604943 CLXDPLLCKDWTCQ-GOSISDBHSA-N 283.415 3.638 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C12CCC(CC1)C2 577941428 HPIVRQXQANEBNB-KZGIRGLMSA-N 294.398 3.632 30 20 CHED CC(C)(CC#N)CSc1nnc(-c2cccs2)o1 570868745 URBGQZVGBQCFBB-UHFFFAOYSA-N 279.390 3.830 30 20 CHED CC[C@@H](CC(=O)N[C@]1(C#N)CC1(C)C)c1ccc(C)cc1 484918989 MQQDAKUXKASAQH-KSSFIOAISA-N 284.403 3.687 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 815765858 GECOZPPZGROUJW-YGRLFVJLSA-N 297.320 3.777 30 20 CHED N#Cc1nccc(N[C@@H](c2ccc(F)cc2)C2CCCC2)n1 579977486 DKAOIVNBFRUKCI-QGZVFWFLSA-N 296.349 3.831 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(O)cc1 727972659 BVIBKZUMRIJXPI-UHFFFAOYSA-N 299.330 3.835 30 20 CHED CC(C)CCc1noc(C[C@H](CC#N)c2ccccc2)n1 571084924 CUKUCKDWDXADMN-HNNXBMFYSA-N 283.375 3.898 30 20 CHED C=C(C)CN(CC)c1ncnc2sc(C)c(C)c12 498830062 FJKKVTYULSSIEE-UHFFFAOYSA-N 261.394 3.711 30 20 CHED C=CCCNC(=O)N(Cc1cccc(C)c1)Cc1ccco1 665947096 DIIOQAMFNQPAQG-UHFFFAOYSA-N 298.386 3.876 30 20 CHED N#Cc1ccc(CSC[C@@H]2CCCO2)c(OC(F)F)c1 491929444 HPKYYAMBGDCCAL-LBPRGKRZSA-N 299.342 3.572 30 20 CHED C[C@H]1C[C@H](Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 824721776 JKSGEUIHHHNKMT-SWLSCSKDSA-N 288.391 3.715 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H]2CCC[C@@H](C)C2)c1 728481709 RLZHCJVHECBRNX-GDBMZVCRSA-N 269.388 3.847 30 20 CHED C=C(C)CNC(=O)c1sc(-c2ccccc2C)nc1C 490030275 GWMKQXUZTKHYAF-UHFFFAOYSA-N 286.400 3.733 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(C)ccc1C(F)(F)F 825436617 YLDAHGVUIFCIDU-VIFPVBQESA-N 288.269 3.641 30 20 CHED CCOc1cccc(/C=N\[C@@H]2CC(C)(C)OC2(C)C)c1O 588393682 UPZQXMOQVPXUHK-JVVDOCDTSA-N 291.391 3.556 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1nccnc1-c1ccccc1 663869798 DEONAQIHNIPVAP-WBVHZDCISA-N 295.386 3.537 30 20 CHED Cc1cccc2oc(C(=O)N(C3CC3)C3(C#N)CCC3)cc12 904819369 RYXRHODSUUIRPD-UHFFFAOYSA-N 294.354 3.792 30 20 CHED C=CCC[C@@H](CCC)NC[C@H]1CCCN(CC2CC2)C1 663467660 HBXUVJNEHCCXMN-QZTJIDSGSA-N 278.484 3.833 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC[C@H]2c2ccccc2)nc1 732528003 CJDLLQFVMFKVSO-AWEZNQCLSA-N 296.330 3.725 30 20 CHED C=CCC(F)(F)c1nc(Cc2cc(C)cc(C)c2)no1 581503612 SBTNREGZKOMTEE-UHFFFAOYSA-N 278.302 3.945 30 20 CHED N#Cc1cc(Cl)cc(-c2nc(C3CC3)ns2)c1 904829938 UADNNLLKTHXZCD-UHFFFAOYSA-N 261.737 3.608 30 20 CHED Cc1cccnc1NN=CC(C)(C)Oc1ccccc1 834973099 LSHAZRKXHGYUOM-UHFFFAOYSA-N 269.348 3.645 30 20 CHED CC[C@H](N[C@@H](C)C[C@@H](O)c1ccco1)c1cccc(C#N)c1 902847197 DSTUYBMETDSLGP-RRQGHBQHSA-N 298.386 3.704 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2F)C1 665150019 AJAYBQDTLCEJIE-SNVBAGLBSA-N 298.308 3.924 30 20 CHED CCC(=NNc1cc(Cl)nc(C)n1)c1ccsc1 834962397 ONNFIQRTYMKNFB-UHFFFAOYSA-N 280.784 3.726 30 20 CHED Cc1ccc2c(c1)C(=NNc1ncccc1Cl)CC2 730946926 VDTYXJRKBOZDAG-UHFFFAOYSA-N 271.751 3.806 30 20 CHED CCCCC(CC)=NNC(=S)Nc1ccc(OC)cc1 732923904 LBHKRFQAQZASGJ-UHFFFAOYSA-N 293.436 3.938 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)Cc2cc(F)ccc21 734304933 BKJIKHIXXGAYJI-WZUFQYTHSA-N 274.241 3.926 30 20 CHED CCC(COC)=NN[C@@H](C)c1ccc(C(C)C)cc1 735972011 HVBZZWHYPFTREX-ZDUSSCGKSA-N 262.397 3.873 30 20 CHED Oc1ccccc1/C=N/Cc1coc2ccccc12 733902896 CYZUNMVJDGWCNW-RQZCQDPDSA-N 251.285 3.758 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)c1cccc(F)c1 731211756 ZLDMASMLJQWGQR-UHFFFAOYSA-N 284.334 3.755 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CC1(Cl)Cl 732644406 SALOYQCIJBRFHH-GFCCVEGCSA-N 290.234 3.775 30 20 CHED C#CCCCCNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 830036005 UYPVRWLORFBKQP-ROUUACIJSA-N 283.415 3.565 30 20 CHED C=CCCCCCCCNC(=O)c1cncnc1C1CC1 836788943 FOWJVKPORXVXRE-UHFFFAOYSA-N 287.407 3.610 30 20 CHED COc1ccc(CCNN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 737440514 KYRNGQHQQBRAFK-SPUZQDLCSA-N 298.430 3.639 30 20 CHED CC(C)c1ccccc1Oc1ccccc1C(=O)NO 671995879 OHEDSXUFAXKFGI-UHFFFAOYSA-N 271.316 3.721 30 20 CHED C=C[C@H](C)NC(=O)Nc1c(C)cc(C)cc1Cl 674974578 LQZLMTSXSSVNOF-JTQLQIEISA-N 252.745 3.653 30 20 CHED C#CCCCCNC(=O)c1ccc(C)c2ccccc12 839702711 TVKMIJARFCQKIL-UHFFFAOYSA-N 265.356 3.682 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c1 836253895 OMLGGAPICFWTGC-IAGOWNOFSA-N 284.403 3.812 30 20 CHED Cn1c(NN=C2CCCC23CCC3)nc2ccccc21 834940021 BBCKOTPCEGLEFZ-UHFFFAOYSA-N 268.364 3.695 30 20 CHED N#CC1(CC(=O)N2CCc3ccc(F)cc32)CCCCC1 596995261 KZKDWAJWYDGMBF-UHFFFAOYSA-N 286.350 3.579 30 20 CHED C=C(CNC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccccc1 672480085 DCZLYHKTDAZYJP-MRXNPFEDSA-N 295.382 3.592 30 20 CHED CC(C)(CC#N)CNCc1c(Cl)ccc2cccnc12 590970594 SQMKYQIZOGBUKQ-UHFFFAOYSA-N 287.794 3.918 30 20 CHED C=CCNC(=S)N1CC[C@H](c2ccccc2)[C@H](CC)C1 746395563 YTCWNRNWCSYTLR-ZBFHGGJFSA-N 288.460 3.563 30 20 CHED CC(=NNc1cccc(Br)c1)c1ccccn1 745987791 LXPCPFAVKXDNLQ-UHFFFAOYSA-N 290.164 3.680 30 20 CHED C=C(CNC(=O)c1sccc1CC)c1ccccc1 673341765 IYUXUHLFXZKJPI-UHFFFAOYSA-N 271.385 3.754 30 20 CHED C=CCCC(CC)=NNc1cc(Cl)nc(C)n1 741763656 CQZKZIFCISQKRG-UHFFFAOYSA-N 252.749 3.583 30 20 CHED C=C(Cl)COC(=O)CCC(=O)c1ccc(Cl)cc1 916609573 YPUMFVORYNWJMK-UHFFFAOYSA-N 287.142 3.599 30 20 CHED CCCC[C@H](C(=O)N(C)c1cccc(C#N)c1)C(C)C 598811605 XRMRVDDBYAQCSD-INIZCTEOSA-N 272.392 3.983 30 20 CHED C=CCCCC(=O)O[C@@H](CC)C(=O)c1ccccc1 748239444 GRJNTYUASRAWJO-AWEZNQCLSA-N 260.333 3.547 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593978431 YFBYONMWXMIDJP-FSZRXZPDSA-N 298.430 3.678 30 20 CHED C#CC[C@@H](OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C1CC1 842316399 IWPDULNQSPYGDL-NUJGCVRESA-N 268.356 3.525 30 20 CHED N#Cc1cccc(CNC(=O)CC(C2CCC2)C2CCC2)c1 599023158 RWHKCAJVBXQLRS-UHFFFAOYSA-N 296.414 3.781 30 20 CHED CC(C)(C)c1ncc(/C=C\C(=O)c2ccsc2)cn1 840716199 IDXBVPSLZIOJFI-PLNGDYQASA-N 272.373 3.732 30 20 CHED C=CCN(CCCCC(=O)OC(C)(C)C)C(C)(C)C 595765631 MWBRJTYMIPWSMU-UHFFFAOYSA-N 269.429 3.785 30 20 CHED FC(F)(F)Oc1ccc(C=NOCc2cccnc2)cc1 746588000 IHZXRHNUEXLBAO-UHFFFAOYSA-N 296.248 3.531 30 20 CHED C#CCN(CC)C(=O)Nc1ccc2nc(C3CC3)sc2c1 749226814 GOMLGPCPLLMJDF-UHFFFAOYSA-N 299.399 3.661 30 20 CHED CC(=NNc1cccnn1)[C@H](C)c1nc2ccccc2s1 748787728 GOSWZWSYPPVHPC-JTQLQIEISA-N 297.387 3.678 30 20 CHED N#CCC1(CSCc2cc(F)cc(F)c2)CC1 596358571 XPRWAOYZBMLHEJ-UHFFFAOYSA-N 253.317 3.892 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](CC#N)C1 595488583 HRPCUINAHRSOQC-OAGGEKHMSA-N 291.439 3.681 30 20 CHED N#CCC1(COc2cnc3ccc(Cl)cc3c2)CC1 596275856 YERDNWBYGLQHNZ-UHFFFAOYSA-N 272.735 3.961 30 20 CHED CSc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)cc1 849243341 SCUZMIPQGIECOK-RMKNXTFCSA-N 298.411 3.911 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCCCc1ccccc1 684883760 VIRWHZRITMPNNL-MRXNPFEDSA-N 274.408 3.663 30 20 CHED CCCCCCCCNc1ccc(C(N)=O)c(F)c1 749271123 RMVUXSJMOGKEPY-UHFFFAOYSA-N 266.360 3.697 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 1350907816 OHVFIAKHIPPZDE-WFASDCNBSA-N 294.354 3.513 30 20 CHED CCCCCCCCC(=O)Nc1ccc(OC)nc1OC 921287012 FXHIQUOSOPFMGN-UHFFFAOYSA-N 294.395 3.788 30 20 CHED C#CC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 753911172 WLXOVGJFKQAKAE-GOSISDBHSA-N 277.367 3.500 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](CC)OC1CCCC1)c1ccccc1 758006710 PJOLHNUGDJLWDR-QZTJIDSGSA-N 299.414 3.605 30 20 CHED CC[C@@H](C)c1ccc(OC(=O)c2ccc(C#N)[nH]2)cc1 752474776 ITPZVCZGPVMFFY-LLVKDONJSA-N 268.316 3.619 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 757595517 FSCCDXSCHAKECW-GDBMZVCRSA-N 281.355 3.572 30 20 CHED Fc1c(Cl)cccc1NN=Cc1ccc2c(c1)CCO2 921137981 XRBBBEQTTMZADQ-UHFFFAOYSA-N 290.725 3.860 30 20 CHED COc1ccc(NN=Cc2cc3ccccc3o2)cc1 750922106 NHEBJXVVTPRTQQ-UHFFFAOYSA-N 266.300 3.887 30 20 CHED CC(C)C[C@@H]1CCCCN1Cc1ccc(OCC#N)cc1 757860666 PMKVXDGBEFBOSA-KRWDZBQOSA-N 286.419 3.990 30 20 CHED COc1ccc(NN=C(C)c2ccc(C)c([N+](=O)[O-])c2)cc1 750922393 OTZQUNOUYSOVGR-UHFFFAOYSA-N 299.330 3.748 30 20 CHED Clc1ccc2c(c1)C(=NNC1CCOCC1)CCCC2 757594074 UWVZZYNECNPQBN-UHFFFAOYSA-N 292.810 3.539 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1ccc(F)c(C)c1 759006137 AMKGZHBAQSHIBI-UHFFFAOYSA-N 290.334 3.628 30 20 CHED C=CCCN[C@H](c1ccc(CC)cc1)c1cccnc1 926685024 JURQWMWSVCPCOW-GOSISDBHSA-N 266.388 3.899 30 20 CHED CCc1ncc(C=NNc2ccc(OC(F)F)cc2)s1 752164594 JXIUUUJNMBYFEC-UHFFFAOYSA-N 297.330 3.753 30 20 CHED CCCCC[C@H](C(=O)N1CCC[C@](C)(C#N)C1)C(C)C 753165070 WTSRDYORXZXJIZ-DOTOQJQBSA-N 278.440 3.991 30 20 CHED C#C[C@H](OC(=O)CC1CCSCC1)c1ccc(C)cc1 860964019 HUGABMIGLIPBNS-INIZCTEOSA-N 288.412 3.746 30 20 CHED Cc1cc(Cl)ccc1C=NNc1cncc(Cl)n1 767355649 INHKIRCCIBJKRI-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CCCCCCCCNC(=O)NC1C[C@@H](C)O[C@H](C)C1 767239943 CSXMSRCFSFSOPU-ZIAGYGMSSA-N 284.444 3.602 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sc2cc(C)ccc2c1Cl 767252593 DSRARIFAQDBFPU-JTQLQIEISA-N 291.803 3.957 30 20 CHED C=CCN(C(=O)c1ccnc2cc(Cl)ccc12)C(C)C 931924668 FYXIIPGDEXFKRD-UHFFFAOYSA-N 288.778 3.925 30 20 CHED CC(C)(C)c1ccccc1C(=O)OCC1(C#N)CCC1 768103321 KKDMDOOSYFKKPC-UHFFFAOYSA-N 271.360 3.835 30 20 CHED CC(=O)N1CCCSC1=Nc1ccccc1C(C)C 864015583 HPNBBHUSBFFQAI-UHFFFAOYSA-N 276.405 3.783 30 20 CHED N#Cc1ccc(C2=CCN(C/C(Cl)=C\Cl)CC2)cc1 767737411 BUMZYTCFPBGXRG-OQLLNIDSSA-N 293.197 3.966 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(C=O)s2)CCCC1(C)C 867840172 RHPMPAVWIWKOMK-AWEZNQCLSA-N 291.416 3.768 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccc(Cl)nc2)C1 768367510 QCCCMHGVQZFYGH-MNOVXSKESA-N 251.761 3.959 30 20 CHED CC#CCCSCc1c(C(F)(F)F)nn(C)c1Cl 764947969 CIHSCWXKRHSMPR-UHFFFAOYSA-N 296.745 3.739 30 20 CHED C#C[C@H](CC)OC(=O)c1nc(C)sc1-c1ccccc1 768040856 HNYLPDVTXYZVPR-CYBMUJFWSA-N 285.368 3.687 30 20 CHED Oc1nc2ccccc2cc1/C=N\[C@@H]1CCC[C@H](F)C1 1118192346 CDQHYTARYILXJU-CXAXULKWSA-N 272.323 3.640 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccc(N2CCCC2)cc1 764903468 UGHUXRNSDMNNOL-HZPDHXFCSA-N 272.436 3.977 30 20 CHED CCCCCCCS(=O)(=O)Cc1cccc(F)c1F 764729107 NUSVYZSVFFMECY-UHFFFAOYSA-N 290.375 3.850 30 20 CHED CCCN(CC[C@](C#N)(C(C)=O)c1ccccc1)CC1CC1 877908604 XSPOUIKRRKNHIR-IBGZPJMESA-N 298.430 3.549 30 20 CHED CCCCCCCNC(=O)N1CCCC[C@H]1c1ncc[nH]1 875765294 KOMRLSFMZNQVMC-AWEZNQCLSA-N 292.427 3.617 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccccc1)Cc1cc[nH]n1 878706099 QNNXJCVAKWPCPM-UHFFFAOYSA-N 297.402 3.541 30 20 CHED N#Cc1ccc(C(=O)OCCC2CCC2)cc1Cl 778710492 IDEYZTNRIXQMOD-UHFFFAOYSA-N 263.724 3.559 30 20 CHED C#CCOc1ccc(CNc2cccc3cc[nH]c23)cc1 775339439 JVXPVUQNWRIRRO-UHFFFAOYSA-N 276.339 3.792 30 20 CHED C#CCCCNc1ccc(Cl)c(OC(F)F)c1 779746282 XTXIZWKAEAIXDN-UHFFFAOYSA-N 259.683 3.767 30 20 CHED N#CCC1(COC(=O)C2CCC(C(F)(F)F)CC2)CC1 774116880 OZRODYKYFJZOAW-UHFFFAOYSA-N 289.297 3.592 30 20 CHED C=C(CC)COC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 773496615 LNEVFFOTHRYHBF-WDEREUQCSA-N 264.287 3.865 30 20 CHED COc1cc2ccccc2cc1C(=O)OCCC(C)(C)C#N 776361839 WUTGUGULHXFTTH-UHFFFAOYSA-N 297.354 3.945 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)[C@@H]1CCC[C@@H](C)C1 1117852837 NJDCJVDAPXUAKM-GRYCIOLGSA-N 276.405 3.564 30 20 CHED CC[C@@H](CC#N)NCc1ccc2ccc(Cl)cc2n1 878700018 ZXSDINLUWHCQBU-ZDUSSCGKSA-N 273.767 3.670 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 1116810773 CWILHYVMZVQOIA-WQVCFCJDSA-N 260.356 3.949 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(F)c(C#N)c1 776192844 UFXALHXOLYBGAP-XQRVVYSFSA-N 280.302 3.551 30 20 CHED C=CCCOC(=O)c1ccnc(SC(C)(C)C)c1 778864744 XHJGFVWZLZAWSC-UHFFFAOYSA-N 265.378 3.705 30 20 CHED C=C(CC)CSCc1cccc2nsnc12 773282605 NXLJMGLSZGPYSZ-UHFFFAOYSA-N 250.392 3.891 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1csc2ccccc12 777662002 UMQINWILBTWHFF-NSHDSACASA-N 274.389 3.838 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H]1C[C@@]1(C)C(C)C 774223709 AYDTXJVTRAJRSX-WBVHZDCISA-N 271.360 3.592 30 20 CHED N#Cc1ccc(NN=Cc2ccc3cnccc3c2)cc1 782199291 LHIZMAOXWUHQQU-UHFFFAOYSA-N 272.311 3.552 30 20 CHED C(=NNC1CCCCC1)c1cnc(-c2ccco2)s1 782283885 XWWUVCSZANKJCA-UHFFFAOYSA-N 275.377 3.659 30 20 CHED CC(C)[C@@H](F)C(=O)Nc1ccccc1SC[C@H](C)C#N 784096972 COXBNTWURVHJCB-BXUZGUMPSA-N 294.395 3.871 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccc(C)cc1C 782617430 FFUHFBQVSRULQB-QGZVFWFLSA-N 276.376 3.575 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)[C@@H]1CCSC1 782176790 IYKHNHFMINIXSG-NSHDSACASA-N 289.429 3.961 30 20 CHED N#Cc1sccc1C(=O)Nc1cc(F)cc(Cl)c1 1127000334 ZEONEROYMNDPIU-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNCCc1ccccn1 789124765 LRCBDLNIBZRETR-AWEZNQCLSA-N 261.413 3.662 30 20 CHED C#CCC1(C(=O)N(C)[C@H]2CCC[C@H](C)C2)CCCCC1 788430153 NEYMJYJOXFTGCB-HOTGVXAUSA-N 275.436 3.997 30 20 CHED Cc1ncc2c(n1)CCC[C@H]2Nc1ccc(C#N)cc1Cl 892568199 HDSOFYWZFHWKQK-OAHLLOKOSA-N 298.777 3.800 30 20 CHED C=CCCCC(=O)OCc1cc(C(=O)OC)ccc1Cl 781248903 PWOQRKMPBNDUDB-UHFFFAOYSA-N 296.750 3.526 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1ccc(OC)c(F)c1 899344549 SYBUJCFJRLZRLM-SREVYHEPSA-N 289.306 3.589 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2cccc(CC#N)c2)C1(C)C 894768434 WIXFNFDONFZVJQ-HZPDHXFCSA-N 272.392 3.757 30 20 CHED C#CC[C@@H](NCc1cccc2c1NCCC2)c1ccccc1 894362052 QJANCCONGOBAFJ-LJQANCHMSA-N 290.410 3.899 30 20 CHED C=CCC1(C(=O)Nc2ccnc(Cl)c2F)CCCC1 891513190 ZYJQZOIKACWEDL-UHFFFAOYSA-N 282.746 3.949 30 20 CHED Clc1cccc(NN=C2CCCNc3ccccc32)n1 793174729 LVCZTYROLDQPAK-UHFFFAOYSA-N 286.766 3.757 30 20 CHED C=C1CC(c2noc(-c3cc(C)n([C@@H](C)C4CC4)n3)n2)C1 896884688 VAAWUFQAFKWJHP-NSHDSACASA-N 284.363 3.646 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)CCCC(F)(F)F)c1 893480673 PAKCUYWNCFKMCB-JTQLQIEISA-N 271.286 3.795 30 20 CHED C/C(C=NNC1CC1)=C/c1ccccc1C(F)(F)F 799884195 HMTUAUDTOCPYFN-GNAHVBDCSA-N 268.282 3.847 30 20 CHED CC(C)(C)C#CCOC(=O)/C=C/c1ccc2[nH]ccc2c1 798887529 WCKFAFYOFJUPQC-SOFGYWHQSA-N 281.355 3.774 30 20 CHED CC(=NNC[C@@H](C)C#N)[C@H](C)c1ccc(Cl)cc1 794523344 MREBXKITCKFJHZ-QWRGUYRKSA-N 263.772 3.569 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(C(C)(C)O)cc1 793159318 NBGWDHKEBBPQEK-GFCCVEGCSA-N 263.381 3.701 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc[nH]1 792149520 NBUPVMPLSBOGPP-HNNXBMFYSA-N 297.402 3.864 30 20 CHED Clc1cccc(NN=Cc2ccc3cnccc3c2)n1 793175260 SPONJPMVNDIUFO-UHFFFAOYSA-N 282.734 3.729 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 794698303 IPFOCHBSTCEFPB-BQYQJAHWSA-N 294.276 3.643 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(O)c2)c(Cl)c1 797109471 FQSJZZZEZMJTRJ-VURMDHGXSA-N 288.730 3.950 30 20 CHED Cc1cc(C)nc(NN=C[C@H](c2ccccc2)C(C)C)n1 794446884 DKVBVYHHQOMHFC-INIZCTEOSA-N 282.391 3.931 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1cc(F)ccc1F 796892352 MMTLLTPWEYOTJK-YMTOWFKASA-N 267.275 3.509 30 20 CHED CSc1ccccc1CC(C)=NNc1cccc(F)n1 795009542 CRMGJHKMFXDQAE-UHFFFAOYSA-N 289.379 3.973 30 20 CHED CC[C@@H](C)CON=C(C)CCc1n[nH]c2ccccc12 793144633 FCJVGBVBIGYORK-GFCCVEGCSA-N 273.380 3.934 30 20 CHED C#CCCCNC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 792598963 UIAPIVVARGQBBO-HUUCEWRRSA-N 269.388 3.506 30 20 CHED C#CCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 796140515 ITGWAKJPLLYUSS-ZDUSSCGKSA-N 267.294 3.518 30 20 CHED C=CCOc1ccc(CNCc2cccnc2Cl)cc1 796442110 LYWLKSHXGVWVEH-UHFFFAOYSA-N 288.778 3.590 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(C#N)cc1 45027450 MFIMSTTVLRPQJR-NSHDSACASA-N 285.372 3.845 30 20 CHED C=CC[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 134715743 FPQKHYARTUFRSJ-QMMMGPOBSA-N 274.242 3.990 30 20 CHED C#CCN(CC1CC1)C(=O)CCCc1cc(C)sc1C 1319442055 METYHGFZRVPGSP-UHFFFAOYSA-N 289.444 3.559 30 20 CHED N#Cc1ccc(SCC(=O)c2ccccc2F)cc1 1165545616 LGMQYFYNPJJOGW-UHFFFAOYSA-N 271.316 3.672 30 20 CHED N#Cc1cnc(NCCc2ccc(F)cc2Cl)c(F)c1 1162461600 ZRJJAXBWPHNVDY-UHFFFAOYSA-N 293.704 3.539 30 20 CHED CC[C@@H](CNc1cc(C)c(C#N)cn1)Oc1cccc(C)c1 1162185525 YTSFAAOYOPCHLF-INIZCTEOSA-N 295.386 3.840 30 20 CHED Cc1ncc(Br)cc1N[C@@H](C)CC(C)(C)C#N 1474534940 MLKKBYWDFAOXOD-VIFPVBQESA-N 296.212 3.893 30 20 CHED CCc1nc(C#N)cc(Oc2cccc(Cl)c2C)n1 702670459 GPTHUTSCQUDZEE-UHFFFAOYSA-N 273.723 3.665 30 20 CHED N#Cc1ccc(CNc2cc3ccccc3c(Cl)n2)nc1 1329418680 KTCKDQMAKWMTPX-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1327858357 KZUGWAKYRXZXIY-LJIGWXMPSA-N 278.440 3.751 30 20 CHED C=CCC[C@@H](C(=O)NC/C=C\C1CC1)c1ccccc1 1324313820 YHBHGQHJJAIHIM-ZPUOCTKUSA-N 269.388 3.819 30 20 CHED Cc1ccc(CNc2cc(C#N)ccc2C)c(F)c1 686504251 PULMFPDIAXGGQC-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C[C@H]1C[C@H](C=NOC(C)(C)C)CCN1C(=O)OC(C)(C)C 1323618794 QFGXHQBGXALMHQ-QWHCGFSZSA-N 298.427 3.823 30 20 CHED CC[C@@H](CNc1cc(C#N)ccc1C)CC(F)F 594702321 UYGASWVYWDPROO-LLVKDONJSA-N 252.308 3.960 30 20 CHED C=CCCSCCNCc1ccc2nc(C)ccc2c1 594960592 VBCWWNAPDMBASF-UHFFFAOYSA-N 286.444 3.942 30 20 CHED COc1ccc([C@@H](C)CCNc2cccc(CC#N)n2)cc1 1320655903 MADSJYGXUWJRNS-AWEZNQCLSA-N 295.386 3.762 30 20 CHED Cc1cnc(CSCCC2(C#N)CCCCC2)nc1 1325405236 IWEIGLLQWIWIFJ-UHFFFAOYSA-N 275.421 3.882 30 20 CHED C#Cc1ccc(-c2nc(-c3cc4ccccc4o3)no2)cn1 1320824465 HHLNYDIFKZCVQW-UHFFFAOYSA-N 287.278 3.526 30 20 CHED Cc1cc(OCCC2(C#N)CCCCC2)cc(C)n1 1325390211 BFWDVQNFRXRAAP-UHFFFAOYSA-N 258.365 3.941 30 20 CHED CCCCCCCSCc1ncnn1CCC 1321150859 MWDSRYYPQOABRW-UHFFFAOYSA-N 255.431 3.892 30 20 CHED C[C@H]1/C(=C/c2cccnc2N(C)C)C(=O)c2ccccc21 1327210702 JDXPLGCHMLBDLY-COOUDCDJSA-N 278.355 3.531 30 20 CHED C=CCCCN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 749506230 VOZJJLRBSYAFAB-DLBZAZTESA-N 277.383 3.680 30 20 CHED Cc1cccc([C@@H]2CCN(C(=O)c3csc(C#N)c3)C2)c1 1330593441 ZDIMZKKSCGGITA-CQSZACIVSA-N 296.395 3.558 30 20 CHED C[C@H](CCC#N)CN1CCC(C(=O)c2cccs2)CC1 1331041329 KPYGIQKMTIJBJX-CYBMUJFWSA-N 290.432 3.583 30 20 CHED CC[C@H](Cc1ccccc1)NCc1ccc(C#N)cc1 75944393 CDHADUANKQHZQA-GOSISDBHSA-N 264.372 3.669 30 20 CHED O=C(CC#Cc1ccccc1)N(CC1CC1)C1CCCCC1 1252963210 PCFJMQYDFDZODH-UHFFFAOYSA-N 295.426 4.000 30 20 CHED Cc1cccc2c1CCN(C(=O)CC1(C#N)CCCCC1)C2 1330819090 UDFFMQCBQNSAJB-UHFFFAOYSA-N 296.414 3.744 30 20 CHED C=C[C@@H](COC)N[C@@H]1CCC(C)(C)c2ccccc21 1339696551 JCGCCOGURYZOJY-XJKSGUPXSA-N 259.393 3.590 30 20 CHED CCN(Cc1ccccc1F)C(=O)c1ccc(C)c(C#N)c1 1344574282 COBGYLQAJRBRCY-UHFFFAOYSA-N 296.345 3.668 30 20 CHED N#CCOc1ccc(N[C@H](c2cccnc2)C2CCC2)cc1 1344439795 MOVJLWDNTLEOIJ-SFHVURJKSA-N 293.370 3.937 30 20 CHED CCc1ccccc1CCN1CCc2ccc(C#N)cc21 1193012427 RITRJNMIYGTIPZ-UHFFFAOYSA-N 276.383 3.726 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCCC[C@@H]1CC 1341964692 ARJKPIGQYCGTBX-NSHDSACASA-N 284.354 3.561 30 20 CHED CCC[C@H](CC)C(=O)Nc1sc(CC)cc1C#N 1517577131 RDRNZLZSNLGJLP-JTQLQIEISA-N 264.394 3.947 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1528490943 UWWLCVLCOVKNLC-HZSPNIEDSA-N 263.381 3.828 30 20 CHED Cc1nsc(NC[C@H]2CCCc3ccccc32)c1C#N 1458100157 RWOHACYSHZDSOJ-CYBMUJFWSA-N 283.400 3.855 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(C#N)cc1F 1457368157 GODZNMMVKXHZLT-NHYWBVRUSA-N 288.366 3.642 30 20 CHED Cc1ccc2cc(C(=O)/C=C/c3c[nH]c(C(=O)O)c3)oc2c1 1600498852 UNEIERQEURKZAP-HWKANZROSA-N 295.294 3.664 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1C[C@H](C)C[C@H]1CC 1539800292 ZFKDTXQLMNNXET-ZWNOBZJWSA-N 294.830 3.533 30 20 CHED C=CCCC[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)C(=O)O 1602863731 SIHPXEHKCNYODG-ZIAGYGMSSA-N 295.423 3.519 30 20 CHED C[C@H](CC#N)N(C)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 1537946563 KOWBGSZNVHPHCP-GRYCIOLGSA-N 290.329 3.506 30 20 CHED N#Cc1nc(NCc2ccc(Cl)s2)sc1Cl 1559060886 IOVFTFCSNOFMGH-UHFFFAOYSA-N 290.200 3.995 30 20 CHED Cc1cc(C#N)ccc1Oc1nc2cccc(F)c2o1 1642189341 XKMYDZJCSXKQBI-UHFFFAOYSA-N 268.247 3.939 30 20 CHED COc1cc(C#N)ccc1COc1cc(F)cc(Cl)c1 1644118361 FRRSDUKEYLAXKZ-UHFFFAOYSA-N 291.709 3.938 30 20 CHED COc1ccc(CN[C@H]2CCC[C@H]2C(C)(C)C)cc1C#N 1656419904 UJYKFYBXYOJWAR-CVEARBPZSA-N 286.419 3.871 30 20 CHED C=CCCCCCN[C@](C)(Cc1ccc(F)cc1)C(=O)O 1588799826 KOPNXBBLQYDRSU-QGZVFWFLSA-N 293.382 3.548 30 20 CHED Cc1cc(F)c(C#N)c(N[C@@H](CCC(C)(C)C)C(=O)O)c1 1594308984 IYNSELJMNLRDNF-ZDUSSCGKSA-N 292.354 3.697 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)C1CCCC1 1668716562 XNXLBXADHNSRTI-OAHLLOKOSA-N 289.354 3.788 30 20 CHED Cc1ccc(CNC(=O)Nc2cc(C#N)ccc2F)c(C)c1 1670757595 KITMTGGQEDQFRS-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CC(C)(C)c1csc(NC(=O)NC/C=C\Cl)c1C#N 1670299370 UCQZERZWKZPGFQ-PLNGDYQASA-N 297.811 3.791 30 20 CHED C=CCCCCCC(C)=NNc1ccc(C(=O)O)nc1 1776070820 KOXUFZANHXGXHM-UHFFFAOYSA-N 275.352 3.704 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(F)c(C(=O)O)c1)C2=O 1777456007 XNGAEFYTOKQPPQ-GHXNOFRVSA-N 296.297 3.655 30 20 CHED C=CCC[C@H](Nc1ncc(C(=O)O)s1)c1ccccc1 1776167863 KTDUNLRMXRESPB-LBPRGKRZSA-N 288.372 3.961 30 20 CHED C=CCc1ccccc1CN1CC2(CCC2)CC[C@H]1C(=O)O 1776188089 RLGWAIMJNZJICS-KRWDZBQOSA-N 299.414 3.634 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)O 1776786744 ITXPHOUIIVFMEE-LSDHHAIUSA-N 297.439 3.839 30 20 CHED Cc1c(NN=Cc2cc(Cl)cs2)cccc1C(=O)O 1776087929 FTXAGBWUMGWMET-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=CCN(C)C(=O)C(C)(C)CCCc1ccccc1 161703265 ZLCXJAYQKKOUDN-UHFFFAOYSA-N 259.393 3.680 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(F)c(SC)c(F)c1 162613651 JVRPZZZXKUGURX-QMMMGPOBSA-N 299.346 3.500 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1 200571202 QKXQGLLOGXOTDY-OQFOIZHKSA-N 274.266 3.870 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)Cc2ccc(C)s2)c1 151813168 VAIIRQRUWZTLOB-GFCCVEGCSA-N 298.411 3.791 30 20 CHED N#CCC[C@@H](NC(=O)c1ccc(Cl)nc1)c1ccccc1 153124036 IJHSWAQUAFNBJA-CQSZACIVSA-N 299.761 3.510 30 20 CHED N#Cc1cc(NCCc2cccnc2)ccc1C(F)(F)F 154042005 VGCNFHRFXZGXJP-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1OCCCC 156788265 UWCYCLOHAGIPTD-UHFFFAOYSA-N 262.353 3.563 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(Cl)cc1OCC 156894244 FHRFRUHQFGTUHT-NSHDSACASA-N 296.798 3.503 30 20 CHED CCCOc1cccc(CN(CCC#N)Cc2ccco2)c1 159603703 XMFPOLIFGYTPBM-UHFFFAOYSA-N 298.386 3.984 30 20 CHED C#CCCCCNC(=O)N[C@@H](CCC=C)c1ccccc1 159342503 OUVVUUIFPOKFEJ-KRWDZBQOSA-N 284.403 3.797 30 20 CHED N#CC1(CN[C@H]2CCSc3ccccc32)CCC1 903032030 OQBXWEUGQMGBQQ-ZDUSSCGKSA-N 258.390 3.507 30 20 CHED Cc1cc(C#N)ccc1N1CCC[C@H]1c1cccnc1 846755808 RWNWGUMJJIBISG-KRWDZBQOSA-N 263.344 3.603 30 20 CHED CC[C@@H](Cc1ccccc1)Nc1ccc(C#N)cc1 112466129 HJBABSKXRYJMEO-INIZCTEOSA-N 250.345 3.991 30 20 CHED C#CCCCCN[C@H]1C[C@H](C)c2c(C)ccc(O)c21 230668479 FBOUACCWWLYKDU-KBPBESRZSA-N 257.377 3.642 30 20 CHED C=CCN(Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 130668636 WGCJCSMNGZAQHX-GOSISDBHSA-N 285.362 3.547 30 20 CHED N#Cc1cc(NCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 157478325 KVPZPYAGZHGGQF-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CCc1cccc(OCCOc2ccc(C#N)cc2)c1 34651416 RQNQFWLSRFDVRS-UHFFFAOYSA-N 267.328 3.578 30 20 CHED N#C[C@H](NC(=O)c1ccc(F)cc1Cl)C1CCCCC1 40360248 OXUHDIOSOHQFTE-AWEZNQCLSA-N 294.757 3.681 30 20 CHED C=CCCN1CCCCC[C@@H]1C[C@H](O)c1ccco1 268374470 LHMCUSXTPJNCRX-CABCVRRESA-N 263.381 3.524 30 20 CHED C[C@H]1CCCC[C@H]1Nc1nc2c(cc1C#N)CCCC2 44298211 DMAUSKNKNRYZPF-SWLSCSKDSA-N 269.392 3.823 30 20 CHED C=C(Br)CNC(C)(C)c1cccc(C)c1 309225108 VUXUATCBQXVJKE-UHFFFAOYSA-N 268.198 3.728 30 20 CHED N#Cc1cc(F)cc(NCc2ccc3[nH]ccc3c2)c1 600861403 OTMAJWFUCADCKN-UHFFFAOYSA-N 265.291 3.791 30 20 CHED C=CCC(C)(C)CNc1nnc(C(F)(F)F)s1 310520913 WRRXFTPQIRSRKD-UHFFFAOYSA-N 265.304 3.571 30 20 CHED CN(Cc1ccc(Br)cc1C#N)[C@H]1CC1(C)C 347167593 VKILSZVDKISBKL-ZDUSSCGKSA-N 293.208 3.551 30 20 CHED C[C@H](CNc1cc(C#N)sc1[N+](=O)[O-])CC(F)(F)F 407220111 LRQNKKLCYFZNPS-LURJTMIESA-N 293.270 3.528 30 20 CHED N#Cc1ccc(N[C@@H]2CCCCC23CCCC3)nc1 311695557 LBENEHYPPJIGAG-CQSZACIVSA-N 255.365 3.868 30 20 CHED CCc1nc(CNc2ccc(Cl)c(C#N)c2)cs1 78794921 CWGXBOKNJICFKO-UHFFFAOYSA-N 277.780 3.843 30 20 CHED N#Cc1ccc(Cl)cc1OCc1ccc(Cl)cn1 562141464 XVVWOKKWPBCDFD-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CC(=NOCc1ccccc1)c1ccc(Cl)c(N)c1 814791415 GPMOZHPCVRDYFT-UHFFFAOYSA-N 274.751 3.863 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](C)C[C@@H](CO)C1 398810415 PFBFDOXUQDCFBO-JKSUJKDBSA-N 283.456 3.604 30 20 CHED C#C[C@@]1(c2ccccc2)CCCN(C(=O)OC(C)(C)C)C1 2298025240 GZBCYVRMDAZSFN-GOSISDBHSA-N 285.387 3.589 30 20 CHED CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C#N)cc1 16778146 JXUPWBIJTFRTQU-HNNXBMFYSA-N 296.395 3.769 30 20 CHED N#CCCSc1nnc(-c2ccco2)n1-c1ccccc1 21086901 HESVVYUBWJOIEL-UHFFFAOYSA-N 296.355 3.533 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1(C)C 26124130 UQSPDNBLNOZTDZ-XKQJLSEDSA-N 296.414 3.974 30 20 CHED Cc1cc(C)c(C#N)c(NCc2sccc2C)n1 26730651 SDYNEZBSYNWZJX-UHFFFAOYSA-N 257.362 3.552 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(O)cc1 34953957 ZVDVRMOLMBTVBS-XFXZXTDPSA-N 268.312 3.687 30 20 CHED Cc1cccc(-c2noc(CNc3ccc(C#N)cc3)n2)c1 42120780 RLNGUPVHIRIHOX-UHFFFAOYSA-N 290.326 3.529 30 20 CHED COc1cccc(/C=N\[C@H](C)Cc2ccsc2)c1O 48833072 KOMVCKPHYHXPIT-WIWNTQSISA-N 275.373 3.512 30 20 CHED CC(C)[C@H](CNC(=O)c1sccc1C#N)c1ccccc1 52030762 YHFRKPXTHSHSDR-HNNXBMFYSA-N 298.411 3.789 30 20 CHED C=C(C)CNC(=S)N(C)Cc1ccc(C(C)(C)C)cc1 57784599 AFRBOKHTPIAXKE-UHFFFAOYSA-N 290.476 3.867 30 20 CHED O=C1/C(=C/c2ccccc2F)CCc2cc(O)ccc21 60340081 LSKQXSUWNSQNNN-UKTHLTGXSA-N 268.287 3.744 30 20 CHED N#CC1(C(=O)Oc2ccc(OCC3CC3)cc2)CCCCC1 63623803 JXRRPAIHTBTAEG-UHFFFAOYSA-N 299.370 3.855 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1cccc(F)c1 63962579 RWJYCCRLNCCTFQ-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED CN(Cc1cc(C#N)ccc1F)c1c(F)cccc1F 64799680 AHWPMVXZQSDDPP-UHFFFAOYSA-N 276.261 3.612 30 20 CHED COc1ccccc1SCc1ccc(F)cc1C#N 77566691 RALRORVEEPAWOI-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)[C@@H]1C 79528787 XLMXLQCUWUYLAA-CHWSQXEVSA-N 288.416 3.563 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 79636590 VKQQHTQOXXGTIW-JSGCOSHPSA-N 276.380 3.511 30 20 CHED Cc1ccc2oc(C(=O)NCc3ccc(C#N)cc3)cc2c1 80334537 FHSBQOHHPMAVSR-UHFFFAOYSA-N 290.322 3.543 30 20 CHED C=C(CC)COc1ccc(Br)cc1C(C)=O 85059183 ORAZTBOOEGGYLR-UHFFFAOYSA-N 283.165 3.997 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(SC)c(OC)c1 90399079 GKBOZYPDMLYHLB-ZDUSSCGKSA-N 277.433 3.871 30 20 CHED C=C(Cl)CN1CCC(OCc2ccccc2F)CC1 91868748 VPLRNHGZDNEOMF-UHFFFAOYSA-N 283.774 3.559 30 20 CHED CC[C@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 91919326 MBTLAGZTATYUIK-GJZGRUSLSA-N 272.392 3.599 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 92005119 ALOFCJNPLBLXCY-LSDHHAIUSA-N 292.810 3.888 30 20 CHED C#Cc1cccc(N(C(=O)c2cccs2)C(C)C)c1 102909298 CHDRVDRFPYIBEP-UHFFFAOYSA-N 269.369 3.785 30 20 CHED CCCN(CC#N)C(=O)C[C@@H](c1ccccc1)C(C)C 103073229 CZXKLSPNEQLEJW-MRXNPFEDSA-N 272.392 3.578 30 20 CHED C=CCNC(=O)Nc1c(F)cccc1Oc1ccccc1 107382995 JEELMOJQVDCREE-UHFFFAOYSA-N 286.306 3.926 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 110367305 ZVBUOHVHKZKQNY-LSDHHAIUSA-N 289.806 3.868 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H](C)C1)c1ccccc1 121625052 WCDWICGXVHBDFF-LSDHHAIUSA-N 257.377 3.605 30 20 CHED C=C[C@@H](CC(=O)N(CC)Cc1ccccn1)c1ccccc1 123408070 SGHHVJKQIRMMMU-INIZCTEOSA-N 294.398 3.790 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(C(F)(F)F)n1 123915721 ACOQSKAHLQFHPW-UHFFFAOYSA-N 287.285 3.530 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F 127968247 UNBLGAANXPUWAH-MEBBXXQBSA-N 294.301 3.534 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H]1C1CCCC1 130448515 CXFBFJFAXLNZMF-KRWDZBQOSA-N 284.403 3.721 30 20 CHED C[C@H](OC(=O)CCn1ccc2ccccc21)C(C)(C)C#N 131234054 UMDKXLRRCYGYKT-ZDUSSCGKSA-N 284.359 3.513 30 20 CHED N#Cc1ccc(NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc1 132437153 AKVFJMAOTPXROQ-KZNAEPCWSA-N 260.340 3.556 30 20 CHED C[C@H](c1ccc2ccccc2c1)N(C(=O)CC#N)C1CC1 133159431 XYXVLQQXLPDJGU-CYBMUJFWSA-N 278.355 3.805 30 20 CHED CCC[C@H](C(=O)N(C)Cc1cccc(C#N)c1)C(C)C 135128278 MIWBGIXDFUQBTH-INIZCTEOSA-N 272.392 3.589 30 20 CHED CCCCCCC[C@H](C)NC[C@H](O)c1ccco1 136324486 SJVPPLKOFMMUHK-KBPBESRZSA-N 253.386 3.652 30 20 CHED C#CCOc1ccc(N)c(C(=O)c2ccc(C(C)C)cc2)c1 139087051 HBYLMGWRSGFFMJ-UHFFFAOYSA-N 293.366 3.635 30 20 CHED C[C@H](C(=O)Nc1sccc1C#N)c1cccc(F)c1 152023196 SMLOFMIESJDFNB-VIFPVBQESA-N 274.320 3.501 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)C2(Cc3ccccc3)CC2)C1 152151607 JTYALIDXWLDKCU-HNAYVOBHSA-N 296.414 3.598 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCCCC2(C)C)CC1 153059182 YQNOGRKARKKSRM-MRXNPFEDSA-N 264.457 3.585 30 20 CHED Cc1cc(F)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 155908436 CMYLQTDVXQICPK-CYBMUJFWSA-N 293.301 3.501 30 20 CHED C=CCCCCCN(C)Cc1cc(OC)c(OC)cc1O 160281357 PYOAYAMIAATLKW-UHFFFAOYSA-N 293.407 3.588 30 20 CHED N#Cc1cc(CN(C2CCCC2)C2CC2)ccc1F 160780282 XXPAVVCJLJHJDO-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc(F)n1)c1ccccc1 160873385 MQJQGQDASUGKIL-LBPRGKRZSA-N 270.307 3.519 30 20 CHED C=CCN(C)C(=O)c1occc1CSc1ccccc1 161510862 AAQWDCUXXTVZKI-UHFFFAOYSA-N 287.384 3.830 30 20 CHED C=CC[C@H](C)N[C@H]1CCc2cc(Br)ccc21 161672954 FVAOTUVLYNZMOU-HZMBPMFUSA-N 280.209 3.991 30 20 CHED C=C(Cl)CN[C@H]1CCc2cc(Br)ccc21 161748159 XWEFHDCYQYKUEY-LBPRGKRZSA-N 286.600 3.779 30 20 CHED CC(C)[C@@H](C)CC(=O)N[C@H](C#N)c1ccccc1Cl 172032650 KHIHBCXVJQUUHB-SMDDNHRTSA-N 278.783 3.703 30 20 CHED CS[C@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 172393981 GPTCOIWGDIGQAM-INIZCTEOSA-N 296.395 3.910 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 172748018 HZTKENBKHJUDCC-RHSMWYFYSA-N 296.414 3.876 30 20 CHED C[C@H](CNCC(C)(C)CCC#N)Oc1ccc(F)cc1 174603271 OZODQUOEEFZQKQ-CYBMUJFWSA-N 278.371 3.513 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc(C#N)cc1)C1CC1 175265495 RVFVSYCSYZLONT-UONOGXRCSA-N 299.418 3.667 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)CCC1CCC1 175356702 COWRFXHPGVRQPL-UHFFFAOYSA-N 293.750 3.706 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)Cc2ccc(F)cc21 176411771 GFACWEYQSOQWEY-ZSOIEALJSA-N 280.298 3.583 30 20 CHED COC(=O)c1ccc(C)c(NCCCC(C)(C)C#N)c1 176438764 OZKUULDDOIFCAC-UHFFFAOYSA-N 274.364 3.524 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)c1ncc(C)s1 176540846 KVVMHJUEMHBARC-CYBMUJFWSA-N 295.452 3.900 30 20 CHED CCCCCCCCCCNC(=O)N1CCC(C)(O)CC1 177569704 DJEOMIHDXCCQCT-UHFFFAOYSA-N 298.471 3.684 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1c(C)cccc1C 177869196 NHYNCZIPUVOZCF-CYBMUJFWSA-N 263.406 3.940 30 20 CHED CCN(Cc1scnc1C)[C@@H](C)c1ccc(C#N)cc1 179464350 AOQWRSGSBUSYEG-ZDUSSCGKSA-N 285.416 3.906 30 20 CHED C#CCCCCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 179927312 PQTWLRAINAGTIX-LJQANCHMSA-N 283.415 3.760 30 20 CHED C=CCSCCN[C@H](Cc1cccc(OC)c1)C1CC1 180455954 OXXPIXPGDMLFEV-QGZVFWFLSA-N 291.460 3.525 30 20 CHED C=C(C)CN(C)Cc1csc(-c2cccc(OC)c2)n1 181284828 VZWLPMSSKKYDMS-UHFFFAOYSA-N 288.416 3.827 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cc(C#N)ccc1F 182579061 NJFRUKFDQDBJAF-GFCCVEGCSA-N 295.317 3.600 30 20 CHED C=CCC[C@H](O)CN[C@@H](CC)c1cccc(Cl)c1 182598908 WZKNBTWXVRBTFD-GJZGRUSLSA-N 267.800 3.708 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1cccc(OC)c1 182653196 HCRFJFWGRLAXHF-UONOGXRCSA-N 275.392 3.660 30 20 CHED C=CCCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 185092347 FCAIRQGDVXWXJS-UHFFFAOYSA-N 286.419 3.664 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 185688955 FKSHRBDRFYZOIK-PBHICJAKSA-N 287.378 3.929 30 20 CHED CCOc1cc(F)ccc1N[C@H]1CCC[C@@H](C#N)C1 185732393 OQXLGVRSNCRJNS-YPMHNXCESA-N 262.328 3.719 30 20 CHED C#CCC(C)(C)C(=O)N(C)c1ccc(C(C)C)cc1 185869234 MITPAZPBDXJZIN-UHFFFAOYSA-N 257.377 3.822 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CCC[C@@H]1C 185908118 OOAPBQBMFMFRCW-MAUKXSAKSA-N 296.414 3.899 30 20 CHED C#CCCCN[C@@H]1CCSc2cc(C)c(C)cc21 187260454 SYFZWEBHJKECDJ-OAHLLOKOSA-N 259.418 3.843 30 20 CHED C=CCC[C@H](C(=O)N[C@H](CC)CC#N)c1ccccc1 187613299 XCMPBXQPNJLORA-CVEARBPZSA-N 270.376 3.545 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NC(C2CC2)C2CC2)cc1 193052098 XDMUBYQPQMFLEQ-UHFFFAOYSA-N 297.402 3.798 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1coc(C2CCC2)n1 193983269 YFYDGKMHHVEGQQ-UHFFFAOYSA-N 296.370 3.771 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(Cl)nc1C 194653513 CZGFRSHUJABECM-JTQLQIEISA-N 281.787 3.910 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1 209916873 MHYWPBYGVGAJPI-YFHOEESVSA-N 274.266 3.870 30 20 CHED N#CCCNC(=O)Nc1ccc(Oc2ccccc2)cc1 244028391 STBLENGEGUWTSV-UHFFFAOYSA-N 281.315 3.514 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(F)cc2)c1 255161540 SQJHPTJGQKXDLO-YHYXMXQVSA-N 270.303 3.868 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)cc1 255742649 YCOMRVKCBFXUMJ-UTCJRWHESA-N 269.250 3.733 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H]2CCc3ccccc32)c1 261449588 DIRDUTIBXRSKTF-INIZCTEOSA-N 275.351 3.727 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2csc(C)n2)cc1 264589283 LILBOSRDNAIVEA-GFCCVEGCSA-N 288.416 3.867 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(OC)ccc1Cl)OCC 270125734 WSUYSINOSSUMNL-AWEZNQCLSA-N 297.782 3.658 30 20 CHED CCN(CCc1cccs1)Cc1ccc(C#N)s1 271085053 BMZSRNFATACWJG-UHFFFAOYSA-N 276.430 3.746 30 20 CHED C=CCN(Cc1nc2ccccc2n1C(F)F)C1CC1 271335111 BDRZMVKWNVOZHK-UHFFFAOYSA-N 277.318 3.582 30 20 CHED C#CCC1(C(=O)N2CCc3ccsc3C2)CCCCC1 276710933 VQLWOJDEXXXKPC-UHFFFAOYSA-N 287.428 3.607 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cc3ccccc3o2)no1 279094315 WNXOIXAHHCVHCI-IUODEOHRSA-N 296.326 3.931 30 20 CHED Cc1nsc(N2CCc3sccc3[C@H]2C)c1C#N 286070790 JEAFVVIWYMDBIE-SECBINFHSA-N 275.402 3.508 30 20 CHED C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCC1(F)F 289941525 VJMUTULSVSHAFV-SNVBAGLBSA-N 284.737 3.689 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(F)c1Cl 290164605 PQIOTVFQSYRFGR-AWEZNQCLSA-N 285.746 3.646 30 20 CHED C=C[C@](C)(CC)c1nc(CSCc2ccco2)no1 290193932 MRXKOZAWIBRNOO-CQSZACIVSA-N 278.377 3.950 30 20 CHED CCCn1ccc2ccc(NC(=O)CCCC#N)cc21 292193180 QZKDAMWTAQNUMH-UHFFFAOYSA-N 269.348 3.684 30 20 CHED CN(Cc1cccc(Br)c1)[C@H]1CC[C@H](C#N)C1 293374681 FXZYBORXHNSNDF-FZMZJTMJSA-N 293.208 3.573 30 20 CHED CC#CCN(C)C(=O)Nc1ccc2oc(C)c(C)c2c1 296890021 NRZGHMFONTXMDH-UHFFFAOYSA-N 270.332 3.537 30 20 CHED N#Cc1cc2c(nc1NC[C@H]1Cc3ccccc31)CCCC2 301116015 MDKULVWAQFAPML-MRXNPFEDSA-N 289.382 3.584 30 20 CHED CCc1nc(CCNc2cccc(F)c2C#N)sc1C 301137185 BOVQYSFMJFQMQE-UHFFFAOYSA-N 289.379 3.679 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)c1nc2ccccc2[nH]1 301150632 OOUQMZHKJVUKRT-JTQLQIEISA-N 280.306 3.747 30 20 CHED CN(C)[C@@H](CNc1ccc(Cl)cc1C#N)c1ccccc1 301201754 PQIMQUXCHVBPSN-KRWDZBQOSA-N 299.805 3.926 30 20 CHED CN(Cc1ccccc1C(F)(F)F)c1cccc(C#N)n1 301261468 GGGZTKCFFRYGPO-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC[C@@H](CNc1cccc(C#N)n1)c1ccccc1 301276992 MIIBRHCFAQZANG-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED C[C@H](CNc1cccc(F)c1C#N)Oc1ccccc1F 301447793 KHKQZJBQYIGVBT-LLVKDONJSA-N 288.297 3.716 30 20 CHED CN(Cc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 301707703 CGOTWLYJNXODPA-UHFFFAOYSA-N 297.305 3.670 30 20 CHED C[C@H]1CC(Nc2ccc(Cl)cc2C#N)C[C@H](C)O1 301952317 JJQZREHDKDZXRE-UWVGGRQHSA-N 264.756 3.580 30 20 CHED C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1C 302180233 DVDVYNOKVZYASJ-VHSXEESVSA-N 268.282 3.812 30 20 CHED Cc1cccc(NCc2cc(C#N)ccc2F)c1[N+](=O)[O-] 302490316 JSAURVVPRWBAPZ-UHFFFAOYSA-N 285.278 3.526 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1C[C@H]1c1cccc(F)c1 302857675 MUVLHZAEWPWPKN-BLLLJJGKSA-N 270.282 3.804 30 20 CHED CC(C)CCC(=O)Nc1ccc(C#N)c(Br)c1 310233857 KGXJISVJBZEUNW-UHFFFAOYSA-N 295.180 3.695 30 20 CHED CC1(C)C[C@@H](c2ccc(C#N)cc2)C(=O)c2ccc(O)cc21 328578191 CPAAPSHDQDAHFP-INIZCTEOSA-N 291.350 3.912 30 20 CHED Cc1cccc2c1OCC[C@H]2N/C(O)=N/[C@@H]1CCC[C@@H]1C 328671159 NHNCAJRVQANHEG-NILFDRSVSA-N 288.391 3.511 30 20 CHED C[C@H](/N=C(/O)c1coc(C2CCCCC2)n1)c1cn[nH]c1 328756353 UCPQLFLQAHAQTD-JTQLQIEISA-N 288.351 3.511 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1cc(F)cc(F)c1 330755110 FZSIEIAWCQXVCE-AWEZNQCLSA-N 266.291 3.598 30 20 CHED CC1(C)CCC[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1 331052337 IZLJCGKYNKTEFN-JKSUJKDBSA-N 284.403 3.769 30 20 CHED Cc1cccc(-c2noc(C3(C#N)CCCCC3)n2)c1F 331597904 CPKSWKHPQYHRFD-UHFFFAOYSA-N 285.322 3.910 30 20 CHED N#CCCC1CCN(C(=O)Nc2ccc3ccoc3c2)CC1 335434259 OQBFEAKCFKNELK-UHFFFAOYSA-N 297.358 3.980 30 20 CHED Cc1cc(C)c2cc(CN3CCC(C)(C#N)CC3)[nH]c2c1 336083781 RRKMWSRMLPGRJS-UHFFFAOYSA-N 281.403 3.910 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(F)cn1)c1ccccc1 336997467 AOKSQNJPTGYCDK-HNNXBMFYSA-N 284.334 3.658 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc2ccn(C)c12 338038735 LLZFERLXCZOKNO-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C=CCCN1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 338549020 LIYPXSBNLKXPPX-IBGZPJMESA-N 284.447 3.551 30 20 CHED C=CC[C@@H](CC)NC(=O)NC(C)(C)c1nc(C)c(C)s1 341432531 IDNQODDXXDOKRN-GFCCVEGCSA-N 295.452 3.649 30 20 CHED CC(C)(CCC#N)CNCc1ccc(OCC2CC2)cc1 342293048 ONUWAPFFLXTBNS-UHFFFAOYSA-N 286.419 3.895 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1cc(C)c(F)c(C)c1 343125282 RAEMVJHLYBUFOI-UHFFFAOYSA-N 298.317 3.575 30 20 CHED N#Cc1cccc(C#N)c1N1CCC=C(c2ccccc2)C1 343144827 UJPVEERTTFBCRX-UHFFFAOYSA-N 285.350 3.724 30 20 CHED C=CCCC[C@H](C)NC(=O)c1oc(C(C)C)nc1C 345486629 JQVQGLBPEDLXAK-NSHDSACASA-N 264.369 3.581 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1(c2ccccc2F)CC1 345979613 OJQYTUVDOGTGMG-UHFFFAOYSA-N 294.329 3.676 30 20 CHED CC(C)CN(CCOC1CCC1)Cc1ccc(C#N)cc1 346906843 RBGZMZYAVAKTNN-UHFFFAOYSA-N 286.419 3.585 30 20 CHED CN(Cc1ccc(C#N)o1)Cc1c(F)cccc1Cl 350072587 HMRMHNBERKSSJF-UHFFFAOYSA-N 278.714 3.576 30 20 CHED C=C(C)CCc1noc(-c2ccc3ccccc3n2)n1 351624059 WFHLBFBFEHLNJS-UHFFFAOYSA-N 265.316 3.794 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)c1ccccc1 352833072 WRHCYPHNKLULDN-GFCCVEGCSA-N 252.317 3.740 30 20 CHED C=CCOCC(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 354566741 AIQXTWRWWZHVJN-LBPRGKRZSA-N 293.794 3.595 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCCCC#N 354842486 WJKFUIFCQRHMGK-STQMWFEESA-N 260.356 3.827 30 20 CHED N#Cc1cccc(F)c1CC(=O)Nc1ccc2ccoc2c1 355001222 PCCWOISUHWDAGP-UHFFFAOYSA-N 294.285 3.625 30 20 CHED C=CCOc1ccc(-c2nc(-c3cccc(C)n3)no2)cc1 356220621 PFXYIRDVQVAKGJ-UHFFFAOYSA-N 293.326 3.672 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)NCC(C)(C)CCC#N)C1 358701548 ZBBQEAHQDIJAOZ-KGLIPLIRSA-N 279.428 3.536 30 20 CHED Cn1cc(CN2CCC[C@@H]2/C=C\c2ccccc2)cc1C#N 361605181 XIZHKPPIAAYKTL-HJCTWCACSA-N 291.398 3.575 30 20 CHED N#Cc1ccc(C(=O)NCc2csc3ccccc23)s1 362936715 XTYVXGAWCWFASV-UHFFFAOYSA-N 298.392 3.764 30 20 CHED N#CCCCN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 363837636 PZHMVOKWHSLLES-LSDHHAIUSA-N 262.784 3.869 30 20 CHED C=CCCCCCCCCNC(=O)[C@H]1CC12CCOCC2 377124921 ZSBMMGITMIRVQG-MRXNPFEDSA-N 293.451 3.836 30 20 CHED C[C@@H](CNc1c(F)c(F)nc(F)c1F)CC(F)(F)F 397036687 FYACKTAFNOSYEF-SCSAIBSYSA-N 290.182 3.638 30 20 CHED CC(C)(C)c1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 397657409 DTIODXONESLGCJ-CQSZACIVSA-N 284.403 3.750 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(C(=O)O)c1C 398092677 OXEGPQBHUIOKDY-NSHDSACASA-N 290.363 3.560 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)c2ccccc2n1 410132961 YTNJVJBRUWEWML-ZDUSSCGKSA-N 268.360 3.628 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 410220909 UMBORFNYKGBZSI-SWLSCSKDSA-N 278.371 3.787 30 20 CHED C=CCC1(NC(=O)CCc2scnc2C)CCCCC1 413841217 GMYIFIWJIXVPCO-UHFFFAOYSA-N 292.448 3.779 30 20 CHED CC(C)(C#N)CCCCN1CCC(OC2CCC2)CC1 419297792 FYJFKQQGVHRGJE-UHFFFAOYSA-N 278.440 3.740 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1F 421363635 LVPNPWKRBAJGOO-SQWLQELKSA-N 272.367 3.756 30 20 CHED CCCc1[nH]ccc1C(=O)Nc1cc(C#N)ccc1NCC 421785128 JWBYJARMLSMOQV-UHFFFAOYSA-N 296.374 3.523 30 20 CHED CCc1cccc(CC)c1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425617194 BPJGGIZZALASRD-SWLSCSKDSA-N 285.391 3.625 30 20 CHED C=CCC[C@H](CCC)NCC[C@]1(O)C[C@H]2CC[C@H]1C2 425941434 ZLGXLEAYVCWZRP-QAETUUGQSA-N 265.441 3.652 30 20 CHED C=CC[C@H](C(=O)N1CCC(C(F)F)CC1)c1ccccc1 427745718 XZVHHQYBTINNPZ-HNNXBMFYSA-N 293.357 3.850 30 20 CHED CC[C@@H](c1ccc(F)cc1F)N(C)CC(C)(C)C#N 433302974 ZIKYWEAAHQRTRI-AWEZNQCLSA-N 266.335 3.897 30 20 CHED C=CCCCCNC(=O)Nc1cc(C(F)(F)F)ccn1 434212218 RWQNQGWGPAGFKA-UHFFFAOYSA-N 287.285 3.578 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)NCC1(CC#N)CC1 435195499 ZJGGCVKZNMQLMI-UHFFFAOYSA-N 299.418 3.935 30 20 CHED N#Cc1csc(CN[C@H]2C[C@H](c3ccccc3F)C2)c1 435783463 VSEIIIRJXTZUBR-JOCQHMNTSA-N 286.375 3.795 30 20 CHED CCCCOCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 437096583 YKYMHXQUKOFGSF-MSOLQXFVSA-N 286.419 3.575 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCOc2c(F)cccc21 437098568 PXSUBHKHHIZGLW-IUODEOHRSA-N 263.356 3.984 30 20 CHED CC#CCCOc1c(C(C)=O)cccc1C(F)(F)F 439266982 CCFUDMRXDRFQNJ-UHFFFAOYSA-N 270.250 3.700 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(F)cc1C#N 441464300 AJNJTLAMNPDRFR-PBFPGSCMSA-N 272.367 3.850 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CCCCC(C)(C)C#N)C12CCC2 444641230 DKDFNDZGHCRMSG-HZPDHXFCSA-N 292.467 3.986 30 20 CHED C=CCC[C@@H](NCc1ccc2c(n1)CCCC2)C1CC1 447577053 FEYSEBGAYSVIHS-QGZVFWFLSA-N 270.420 3.795 30 20 CHED CC(C)(C#N)CNc1ccnc2cc(F)c(Cl)cc12 450435197 OQUJCALMDAGZKA-UHFFFAOYSA-N 277.730 3.989 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)CCCCC1 451323711 JKQWQOVWPAMYDX-ZBFHGGJFSA-N 291.435 3.539 30 20 CHED C=C(C)CCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 452743004 SSNPQRJNJAHMFA-CVEARBPZSA-N 257.377 3.653 30 20 CHED CCCN(CC1CC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 454212605 VTASGABIVXJWQZ-UHFFFAOYSA-N 298.430 3.776 30 20 CHED CC(C)[C@@H]1C[C@H]1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 454437088 HIQDKGFHGKUKJY-BBRMVZONSA-N 299.418 3.901 30 20 CHED CC#CCN(C)C(=O)Nc1cccc(Cl)c1OC(C)C 454825202 ARDDWWIXKBAZAY-UHFFFAOYSA-N 294.782 3.614 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1c1nccc(C)c1C#N 462695515 HAIPUABRMIIMHQ-WFASDCNBSA-N 257.381 3.667 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)C1CCCCC1 463233403 NOYVNNQGVIZZQQ-CQSZACIVSA-N 284.403 3.843 30 20 CHED CC(C)(C)c1ccc(C(=O)NC2(C#N)CCC2)cc1Cl 464212193 VVUIOWZCXJLKNR-UHFFFAOYSA-N 290.794 3.814 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 464753699 DEMYYORNRDINBY-KXBFYZLASA-N 298.430 3.641 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)NCC#Cc1ccccc1 465585827 UWMMJCKKYARVPV-AEFFLSMTSA-N 298.430 3.648 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OCC(F)F)cc1 466391604 HSWRCTZLQGMATM-NSHDSACASA-N 298.333 3.807 30 20 CHED C=CC[C@H](CC)NC(=O)N(C1CC1)[C@H](C)c1ccco1 466394238 CKEUWOGKTWSNAW-OLZOCXBDSA-N 276.380 3.869 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 468015417 DRTPMJOLKATILH-QAPCUYQASA-N 273.420 3.953 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1cc(C)ccc1F 470180349 LWYXJNWUFJVDHB-UHFFFAOYSA-N 275.367 3.861 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ncccc1C 470904787 BBXWBROHFDWHOP-UHFFFAOYSA-N 266.388 3.968 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](C)C2(CCC2)C1 472844140 BXJFFUAMDBAHPS-AWEZNQCLSA-N 264.413 3.564 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C)cc1OCC 473680225 VAEIOGPFRGCTHT-UHFFFAOYSA-N 276.380 3.872 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C(=O)OCC)cc2)CC1 474096438 OTWJAPBPPREBBH-UHFFFAOYSA-N 287.359 3.548 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CC[C@H](C)C1)c1ccccc1 474125508 VWYFQYHUFCBSIR-IMJJTQAJSA-N 257.377 3.651 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@H]1CC[C@@H](C)O1 475044283 CVBPAXRJJUVJMN-VXGBXAGGSA-N 285.840 3.957 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)C2CCCCC2)CC1 482634996 TWCPTXWCBARXDU-SFHVURJKSA-N 278.484 3.975 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1c1cc(C)ccc1C 483424263 UJMNLFGSMDOMNU-KRWDZBQOSA-N 284.403 3.563 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 484224147 OTOXZPCNDXYWGB-KBPBESRZSA-N 266.429 3.809 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC(C)(C)C[C@H]1C 484224148 OTOXZPCNDXYWGB-KGLIPLIRSA-N 266.429 3.809 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccc(C#N)c(C)n2)c1 488112702 QHEZISKFDZDSSQ-QGZVFWFLSA-N 277.371 3.912 30 20 CHED C=C(C)CNC(=O)N1CCC(c2ccc(Cl)cc2)CC1 488573319 NIZMVNLCQKLZIM-UHFFFAOYSA-N 292.810 3.805 30 20 CHED C=C[C@@H]1CCCCN1Cc1cccc(OC(C)(C)C)n1 489408170 QSRDNJYVLLDUFW-OAHLLOKOSA-N 274.408 3.799 30 20 CHED C=C(C)CNC(=O)c1csc(-c2ccc(C)cc2C)n1 490074434 ISOGTQKHJXAQDO-UHFFFAOYSA-N 286.400 3.733 30 20 CHED C#CCN(C)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 491713036 ZYCNYJAMFAAUIH-ZDUSSCGKSA-N 290.432 3.523 30 20 CHED CN(Cc1ccc(C#N)cc1F)Cc1cccc2[nH]ccc12 494048568 LFSKEJVUCXCDNC-UHFFFAOYSA-N 293.345 3.811 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1ccccc1Br 506056541 NGXLTEJSUNQTTJ-NEPJUHHUSA-N 295.224 3.992 30 20 CHED C[C@H](C#N)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 510387860 FPYKAOFNMAEFTL-SECBINFHSA-N 299.201 3.547 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(C)CCCC1 514355843 OMUJDGXHVHPJOV-UHFFFAOYSA-N 263.406 3.843 30 20 CHED N#Cc1c(F)cccc1SCC(=O)C1CCCC1 514949714 JOBUJDJUBMMTGL-UHFFFAOYSA-N 263.337 3.549 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(F)cc2C#N)CC1 522711937 YACQYHPINXZJNM-CYBMUJFWSA-N 260.356 3.709 30 20 CHED COCc1cccc(COc2ccc(C#N)cc2C)c1 533009277 IXXLRVXMQWDXEH-UHFFFAOYSA-N 267.328 3.592 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)c(F)c1 538507222 OMWBWTHHXUQQHG-OLZOCXBDSA-N 293.345 3.981 30 20 CHED CO[C@@H]1CCC[C@H]1CNc1ccc(C#N)cc1C(F)(F)F 539234798 UDGBMNXLHVYIHX-SMDDNHRTSA-N 298.308 3.804 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(SCC)cc1 539296479 BIMJVFYAEXGBMG-UONOGXRCSA-N 279.449 3.634 30 20 CHED CC#CCNc1ccccc1C(=O)Nc1ccc(F)cc1 539517072 CXHPVFADZYHKJI-UHFFFAOYSA-N 282.318 3.513 30 20 CHED CC#CCCNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 542672879 DLZFCCOUMBNXKB-SNVBAGLBSA-N 284.186 3.627 30 20 CHED CC(C)(C)Cc1noc(/C=C/c2ccc(C#N)cc2)n1 546457335 PSRTUFFBDJZWRY-CMDGGOBGSA-N 267.332 3.700 30 20 CHED N#CCCSc1ccccc1NCC1CCOCC1 546886299 LNEOWPAUWCFMBM-UHFFFAOYSA-N 276.405 3.531 30 20 CHED CC1(C)CCC[C@H](C(=O)N2CCc3ccc(C#N)cc32)C1 550520550 PQUZUTKQAJBORS-HNNXBMFYSA-N 282.387 3.664 30 20 CHED C=CCC(C)(C)c1noc(CCc2cccc(F)c2F)n1 551140960 XAYNTCJYZORJMN-UHFFFAOYSA-N 292.329 3.987 30 20 CHED CCN(CC#Cc1ccc(Cl)cc1)C1CCCC1 551707437 IEQAMHDSBWDZTE-UHFFFAOYSA-N 261.796 3.956 30 20 CHED C=CCn1c(CC)nnc1N1CCC[C@H]1c1ccc(C)cc1 554921330 QWEKEPAOXNLHTN-INIZCTEOSA-N 296.418 3.676 30 20 CHED COc1ccc2oc(CN3CCC(CCC#N)CC3)cc2c1 567906207 OOYYGGMCVNYPKZ-UHFFFAOYSA-N 298.386 3.957 30 20 CHED Cn1cc(-c2ccc(/C=C\c3ccncc3C#N)s2)cn1 570832531 BVBYOIYJUPLPSR-IHWYPQMZSA-N 292.367 3.586 30 20 CHED CCc1ccc(CCC(=O)Nc2ccccc2CC#N)cc1 571385565 HBZQTJHOWZENLL-UHFFFAOYSA-N 292.382 3.886 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H]1CC 572048844 HYKULTFXCBGVJL-HNNXBMFYSA-N 296.418 3.818 30 20 CHED C=CCN(CC=C)Cc1c(C(=O)OCC)oc2ccccc12 572190515 TYASJCDQMPMRRJ-UHFFFAOYSA-N 299.370 3.784 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1C[C@@H](C)C[C@@H](C)C1 572260837 MKSPFIJYUNLVHE-ZNMIVQPWSA-N 290.455 3.850 30 20 CHED CC(C)CC[C@@H](C)NC(=O)N1CCC(CCC#N)CC1 576981207 BVWRCZBYOKSGDS-CQSZACIVSA-N 279.428 3.536 30 20 CHED C=CCCCCCN1CCN(C)C2(CCCCC2)C1 577961204 LVFGTYIWXNAZNW-UHFFFAOYSA-N 264.457 3.683 30 20 CHED N#CCc1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1 578209127 MZGGQGZPBMFHBY-UHFFFAOYSA-N 293.301 3.625 30 20 CHED C=CCC[C@H](NCc1cnc(C)n1C)c1ccccc1 578885006 ZFRBKFFKPMDICD-KRWDZBQOSA-N 269.392 3.526 30 20 CHED CC(C)c1ccc(CCN[C@@H]2CC[C@@H](C#N)C2)cc1 580507963 ACLJZKQQCVZYGC-NVXWUHKLSA-N 256.393 3.634 30 20 CHED CCN(Cc1ccc(C#N)s1)c1cccc(OC)c1 583211484 AIGQCFMAVRMVEQ-UHFFFAOYSA-N 272.373 3.655 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC1(C)C 583221882 LFGDRFRCVSMSRU-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(-c2nc(C)no2)ccc1C 583929756 BFAUTHBIYUNYCF-UHFFFAOYSA-N 299.374 3.894 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(-c3ccco3)cc2F)C1 584149474 LBDMPIHNSZGDJC-UHFFFAOYSA-N 298.317 3.964 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1csc(-c2ccccc2)n1 588079638 PVDOPHWVEUJIND-OAHLLOKOSA-N 285.372 3.688 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCCCCC#N 588153389 JVHCXVBRSJZKDI-INIZCTEOSA-N 270.376 3.573 30 20 CHED CC1(C)CN(C(=O)CCCCCC#N)c2ccccc21 588161287 BDGNNIBNWRKCGH-UHFFFAOYSA-N 270.376 3.785 30 20 CHED C=CCN(C(=O)CSCc1ccccn1)c1ccccc1 590552451 NCFLBAJZSAZDKJ-UHFFFAOYSA-N 298.411 3.534 30 20 CHED N#CC1(CCN2CCOC[C@H]2c2ccco2)CCCCC1 591014575 VAIHSBQJERQART-HNNXBMFYSA-N 288.391 3.517 30 20 CHED N#Cc1ccc(CNC2(C3CCC3)CC2)c(Cl)c1 593081272 LPOOAXZOIHJNOV-UHFFFAOYSA-N 260.768 3.634 30 20 CHED CC[C@H](C#N)C(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C 593742267 XLDFZFPAOXKFEO-OLZOCXBDSA-N 264.413 3.599 30 20 CHED COc1ccsc1[C@@H](C)NCCc1ccc(C#N)cc1 595055228 BNGWNSBOMRVVGY-GFCCVEGCSA-N 286.400 3.522 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 595460650 FMLHLAKIVHXBSZ-ZBFHGGJFSA-N 297.402 3.617 30 20 CHED C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](CC#N)C1 595613342 BILSIFOWJCOOED-CHWSQXEVSA-N 275.396 3.659 30 20 CHED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccc(C#N)cc1 596739805 BHULSPIYDHGAGW-AWEZNQCLSA-N 295.386 3.600 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H](C#N)CCc2ccccc2)C1 598299177 FTHWIUCJFSKZJK-NUJGCVRESA-N 298.430 3.796 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)C[C@@H](O)CC(C)(C)C#N 598586087 OFLDXKRPGMYCRL-STQMWFEESA-N 294.826 3.634 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1cccc(OC)c1OC 601280579 GKTVDZHTMUHBDJ-AWEZNQCLSA-N 290.407 3.684 30 20 CHED C[C@@H](CCC#N)CNc1cccc(CN2CCCCC2=O)c1 602490397 IQZVRQCETSKINQ-HNNXBMFYSA-N 299.418 3.551 30 20 CHED CC[C@H](CC#N)N[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 602614381 XZXGJIQPHCUXFT-ZIFCJYIRSA-N 297.446 3.636 30 20 CHED C[C@@H](NCc1cccc(C#N)n1)c1cccc(C2CC2)c1 602674260 WZTPOQRFROHVSP-CYBMUJFWSA-N 277.371 3.681 30 20 CHED CN(CCCCC#N)Cc1ccc(Br)cc1F 602924041 AIJPVWCKFDNBJR-UHFFFAOYSA-N 299.187 3.714 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]2CCCC[C@H]21 603621301 HIXWUEQATAKWOM-COXVUDFISA-N 282.387 3.599 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC1(C)C 604495716 PYMHCRAZJUSTTP-MRXNPFEDSA-N 299.418 3.524 30 20 CHED Cc1ccc2c(Cl)c(C(=O)N[C@@H](C)CC#N)sc2c1 609170520 UVHKGTDNUUBQGW-VIFPVBQESA-N 292.791 3.895 30 20 CHED CCc1cc(N(Cc2ccc(C#N)cc2)CC(C)C)ncn1 609585716 BFFAGOUCQLRROV-UHFFFAOYSA-N 294.402 3.573 30 20 CHED Cc1ccc(Oc2ccccc2CNC(=O)[C@@H](C)C#N)cc1 609921932 XMQFIIPLOFOWGG-AWEZNQCLSA-N 294.354 3.563 30 20 CHED Cc1cccc2c(N3C[C@H]4[C@@H](C3)C4(C)C)c(C#N)cnc12 610282071 KTABYSBWTQVXAU-GASCZTMLSA-N 277.371 3.507 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 610356056 ICLGDKZVSHAGQQ-PBHICJAKSA-N 299.418 3.839 30 20 CHED CCCCCNC(=O)CSc1ccc(Cl)cc1C#N 610654598 DKDRTLPUBUIIMA-UHFFFAOYSA-N 296.823 3.610 30 20 CHED CN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 610661690 HSRCTWDUQLUWNJ-INIZCTEOSA-N 293.326 3.590 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-c2ccco2)s1 610811201 HSPLPNXDUUBEGE-ZDUSSCGKSA-N 288.372 3.676 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccc(CC#N)cc1 611154005 FSQSYZGJELBBNA-UHFFFAOYSA-N 272.392 3.699 30 20 CHED CCC[C@H](NCc1ccnc(C#N)c1)c1ccccc1 611376614 YPDOBASFTPWTTH-KRWDZBQOSA-N 265.360 3.584 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1CCC(C)(C)C#N 611553995 AOTVFDKQSOBGAX-MNOVXSKESA-N 262.319 3.589 30 20 CHED CC[C@H](C)CCCCC(=O)N(CCC#N)C(C)C 612282222 CWAOHPPBTUPJMW-AWEZNQCLSA-N 252.402 3.744 30 20 CHED C=CC1CCN(c2nnc([C@@H](C)CC)n2CC2CC2)CC1 612764507 XFNOHXVQLFLWBK-ZDUSSCGKSA-N 288.439 3.604 30 20 CHED C[C@@H](NC(=O)[C@@H]1CCCC1(C)C)c1cccc(C#N)c1 613884880 VSFHENSIMOEYHQ-DOMZBBRYSA-N 270.376 3.562 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)[C@H]2CCCC[C@@H]21 614407779 ZIDMNBXAVARMGN-QGTPRVQTSA-N 268.404 3.877 30 20 CHED C=CCCNC(=O)C[C@H](C)Cc1ccc(Cl)cc1 617616975 QADYRNAHDIRWAV-GFCCVEGCSA-N 265.784 3.601 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)c3ccccc32)C1 617779276 YCFPPINTBDFKIT-RHSMWYFYSA-N 297.398 3.561 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(Cc3ccccc3)CC2)C1 617783281 XGRSQKAQOCNLKC-KRWDZBQOSA-N 283.415 3.824 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccc(OCC=C)cc1 620856220 PLZFSJIYKFODJT-UHFFFAOYSA-N 287.403 3.655 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ccc(F)cc1 620863871 GLOUXFBAZQXKGG-UHFFFAOYSA-N 263.356 3.619 30 20 CHED CC(=O)CC(C)(C)CC(=O)Nc1sc(C)c(C)c1C#N 636482169 DNDHSOQHWKAMEW-UHFFFAOYSA-N 292.404 3.571 30 20 CHED CC[C@@H](C)N(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 642080480 VCFJCKUXJOSCLL-MRXNPFEDSA-N 291.394 3.957 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@H](c1ccnn1C)C(C)C 657985732 HIOGOFNFVRVEDO-IXDOHACOSA-N 289.467 3.884 30 20 CHED C=CCCN[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 658116684 NJLPBRZCNBMTJH-CQSZACIVSA-N 289.423 3.787 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CC[C@@H]1c1ccccc1 661124225 WXYPYUWEILGALW-ARFHVFGLSA-N 272.392 3.587 30 20 CHED C=CC[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 661378524 IFLBSEYCVCTNJN-CYBMUJFWSA-N 262.397 3.760 30 20 CHED C=CC[C@H]1CCCN(Cc2cncc(Br)c2)C1 661379732 HOLLGAFOTJQIBU-LBPRGKRZSA-N 295.224 3.632 30 20 CHED C=CCCNC(=O)N(CCC)[C@H](C)c1ccccc1OC 661572586 SOYAJPBGAHOFRE-CQSZACIVSA-N 290.407 3.754 30 20 CHED C=CCC1(NCc2ccc3c(n2)CCC3)CCCC1 668625537 TWYSLPHEWYNLRI-UHFFFAOYSA-N 256.393 3.549 30 20 CHED CCC#C[C@H](C)Sc1nnc(-c2ccc(C)cc2)n1C 677132000 VQBLVAZOTLYBQH-ZDUSSCGKSA-N 285.416 3.685 30 20 CHED CCCCCCCCCC(=O)N1C[C@H](C)[C@@](C)(CO)C1 694709536 AOYADRPYWDQOIM-DOTOQJQBSA-N 283.456 3.604 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1ccc(Cl)cc1 695810208 LVIMPAWGUWTSLR-GFCCVEGCSA-N 264.800 3.800 30 20 CHED C=CCN(C(=O)Nc1cc(F)ccc1Cl)C(C)C 728122841 YTHXBWKZDCVSIS-UHFFFAOYSA-N 270.735 3.907 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)ccc1O 728230174 AVPUUTZPFAFFQV-QPJJXVBHSA-N 298.338 3.701 30 20 CHED COc1ccc(COCCON=Cc2ccccc2C)cc1 731031320 ZQMKYCPDBWKBKA-UHFFFAOYSA-N 299.370 3.571 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNC(=S)Nc2ccccc2)o1 732763633 NJKMKYSZSWVUNQ-SMDDNHRTSA-N 299.399 3.724 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(C)cc1C)c1ccncc1 734234325 LHTFSOGIQMVHHI-QGZVFWFLSA-N 280.371 3.746 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 736245909 FVISZGMIOBBGOI-ZDUSSCGKSA-N 295.810 3.754 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)OCCCCC#N 740266298 GTJXHVUNYNKRKK-MRXNPFEDSA-N 273.376 3.738 30 20 CHED C#CCCCOC(=O)[C@@H](CC(C)C)c1ccccc1 741111831 BHBBXZCXNMBKMW-INIZCTEOSA-N 258.361 3.773 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(F)cc2)C12CCC2 741160711 XXZWXLIOPKMKSG-CQSZACIVSA-N 262.328 3.573 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C(\CC)c1ccc(C)cc1 741681455 MRYKOZAYLAEHDF-UKYUDJEDSA-N 270.376 3.597 30 20 CHED CCC(CC)=NNc1nc(-c2ccccn2)nc2c1CCC2 741812802 BWQGWYAGHIUROH-UHFFFAOYSA-N 295.390 3.615 30 20 CHED N#Cc1ccc(OC(=O)[C@@H]2CCSc3ccccc32)cc1 741881292 OPXUHIDOOIBNRE-OAHLLOKOSA-N 295.363 3.743 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)[C@@H]1CCOC1 741961093 ANTHFIPARKPCBE-LSDHHAIUSA-N 269.429 3.668 30 20 CHED C=C(Cl)CNC(=O)c1cccc(OCC=C(C)C)c1 742079110 AVRNTXPEZNUEDD-UHFFFAOYSA-N 279.767 3.514 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)/C=C/c1ccccc1C#N 742801110 CJWLNXVYCYZMMC-XAZATZFJSA-N 296.414 3.999 30 20 CHED C#C[C@@H](C)OC(=O)c1cnc(-c2ccc(C)cc2C)s1 744179871 AUXUDQOBMQHUNA-GFCCVEGCSA-N 285.368 3.605 30 20 CHED C[C@H]1CCc2sc(C(=O)OCC3(CC#N)CC3)cc2C1 744275937 AWVNOIKQJTVHNY-NSHDSACASA-N 289.400 3.724 30 20 CHED C=C(C)CCOC(=O)c1cc(-c2ccc(C)cc2)no1 744304571 YOAMCBXUOIDEDL-UHFFFAOYSA-N 271.316 3.773 30 20 CHED CSc1ccc(C(C)=NOCc2cccnc2)cc1F 746588131 YYPICDIHIOQENR-UHFFFAOYSA-N 290.363 3.883 30 20 CHED O=[N+]([O-])c1ccc2[nH]cc(C=NNc3ccc(F)cc3)c2c1 747742957 CJAFDSJGSXBELY-UHFFFAOYSA-N 298.277 3.661 30 20 CHED COc1cc(C)c(/C=C\C(=O)c2cccc(O)c2)cc1OC 751513628 ROYOWKSDIZUFMJ-FPLPWBNLSA-N 298.338 3.614 30 20 CHED N#Cc1csc(C(=O)OCc2ccc(F)cc2Cl)c1 752588078 YPPVVERLERMGLT-UHFFFAOYSA-N 295.722 3.769 30 20 CHED COc1ccc(/C=C/C(=O)c2coc(C(C)C)n2)cc1F 752882561 NDNJVLALCZEGNR-GQCTYLIASA-N 289.306 3.842 30 20 CHED COC(=O)c1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)c[nH]1 753142606 RPAKLSGQXWHUNX-RUDMXATFSA-N 297.354 3.821 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)Oc2ccccc21 755600641 JJDDHJSNJXJUDW-AUWJEWJLSA-N 258.223 3.581 30 20 CHED C[C@@H](C=NNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 756871881 DSEHRIQZNNEMBD-NSHDSACASA-N 287.294 3.935 30 20 CHED C#CC[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 757580980 VMFFZXKPUDCNAD-INIZCTEOSA-N 283.758 3.834 30 20 CHED COc1ccc(/C=C2\Cc3c(OC)cccc3C2=O)cc1 759665924 SAERGJYHKBYDBH-JLHYYAGUSA-N 280.323 3.526 30 20 CHED C/C(=C\C(=O)OC1(C#N)CCC1)c1cccc(Cl)c1 762098688 WJPZMYXPPIIPLH-DHZHZOJOSA-N 275.735 3.733 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccccc1C 764431583 CKWXTJVMUDNZOL-FPLPWBNLSA-N 258.342 3.961 30 20 CHED Cc1ccsc1C=NNCc1cnc2ccccc2c1 764779847 XGEHCZYVHLHONS-UHFFFAOYSA-N 281.384 3.728 30 20 CHED C#CCOc1ccc(COC(=O)/C=C\c2cccs2)cc1 765139842 HRFNTECJNWTTKC-KTKRTIGZSA-N 298.363 3.517 30 20 CHED C[C@H](OC(=O)CCc1cncc2ccccc12)C(C)(C)C#N 765607637 CIXJRAGACHUOQZ-ZDUSSCGKSA-N 296.370 3.649 30 20 CHED C[C@H](C=NNc1ccc([N+](=O)[O-])cc1Cl)CCC#N 766014844 VOALQLRJHQDULZ-VIFPVBQESA-N 280.715 3.586 30 20 CHED CCO[C@@H]1CCCC1=NNc1cccc2c1CCCC2 766451157 VBLVLTJVZVUOLR-QGZVFWFLSA-N 272.392 3.922 30 20 CHED Cc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1C#N 766489757 GBQXPDYXXCSOSB-VIZOYTHASA-N 277.298 3.828 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2ccc(C)cc2C)c1 766503843 ZUAKTXOTSSIOHI-SREVYHEPSA-N 284.311 3.579 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cccc(F)c1 766772563 UWULFQBPHFTVCB-SREVYHEPSA-N 255.292 3.679 30 20 CHED Cc1cc(Cl)ccc1C=NO[C@H]1CCCCO1 767387630 KZBKDSTZFOCVQD-ZDUSSCGKSA-N 253.729 3.526 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)c1ccc(C#N)cc1 768187640 PGBKUVXNTCVYBY-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2cccc(C(=O)O)c2)C1 768358447 VQBNKJMCASBKRO-NEPJUHHUSA-N 260.337 3.609 30 20 CHED COc1cccc(F)c1C(=O)O[C@H](C)c1ccc(C#N)cc1 769697251 CSZIQRJIDYEUFR-LLVKDONJSA-N 299.301 3.624 30 20 CHED CCCCCCCCCCNC(=O)N[C@H]1CCO[C@@H](C)C1 769719159 DTLVVOMFHIZKBV-HOTGVXAUSA-N 298.471 3.994 30 20 CHED CC(C)c1cccc(C(=O)OCC#Cc2ccc(F)cc2)n1 771383427 VVURSBMODBWEMK-UHFFFAOYSA-N 297.329 3.553 30 20 CHED C#CCCCCC(=O)OCc1ncc(-c2ccccc2C)o1 773630394 LBWQNCFJZXPZSQ-UHFFFAOYSA-N 297.354 3.887 30 20 CHED O=C1C/C(=C\c2cccc(Cl)c2)C(=O)c2ccccc2N1 774144307 JESTZUKZONGHEK-XYOKQWHBSA-N 297.741 3.949 30 20 CHED CCc1nc(C)c(C(C)=NN[C@@H]2C[C@H]3CC[C@H]2C3)s1 774608161 PGWORIOQISLVMG-RWMBFGLXSA-N 277.437 3.516 30 20 CHED CC(/C=C\C(=O)c1cscn1)=C/c1ccccc1 776193479 ZGSAXULNEPGZEO-JNWHFCKMSA-N 255.342 3.986 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc2ccccc2c1 776359591 KIIPQGFMMYOYOL-UHFFFAOYSA-N 267.328 3.936 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc2cc(Cl)ccc2[nH]1 776371124 BLPXNMCQNGHMNE-UHFFFAOYSA-N 290.750 3.918 30 20 CHED CCn1cc(C(=O)/C=C/c2cc(F)cc(Cl)c2)cn1 776720343 MHBGYAWNYJTIPE-ONEGZZNKSA-N 278.714 3.592 30 20 CHED O=c1ccccn1N=Cc1cccc(Oc2ccccc2)c1 776787512 WNSOOCRIHJASJI-UHFFFAOYSA-N 290.322 3.523 30 20 CHED Cc1cccc(C)c1COC(=O)Cc1ccccc1CC#N 777166737 FOCFCPGCLOSQPB-UHFFFAOYSA-N 293.366 3.655 30 20 CHED CCCCCCCCCN1C(=O)[C@H]2CCCCN2C1=O 777558399 FZKPLDSVIDTXCM-CQSZACIVSA-N 280.412 3.554 30 20 CHED N#CCOc1cccc(NCc2nc3c(s2)CCCC3)c1 779589161 YEABMYFOGKYQKG-UHFFFAOYSA-N 299.399 3.536 30 20 CHED C#CCCCCCC(=O)NC[C@@H](C)c1ccc(F)cc1 779870245 RFYFVWWDCFXYIW-CQSZACIVSA-N 275.367 3.629 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]([C@H](C)O)C1 780803138 IEUSGPVTEJQQRC-YESZJQIVSA-N 297.483 3.993 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(Oc2ccccc2)ccc1O 781178756 FQRLSFFTERFALJ-LBPRGKRZSA-N 297.310 3.643 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1nc(C2CC2)cs1 781188595 FMBKHKSTHHPFKN-NSHDSACASA-N 295.404 3.608 30 20 CHED CC[C@H](C#N)OC(=O)Cc1csc2ccc(Cl)cc12 781196721 CHDIIYPQUGTGFK-LLVKDONJSA-N 293.775 3.943 30 20 CHED Cc1cccc(OCCC(=O)OCCCC(C)(C)C#N)c1 781964980 RJLVHMMYMWRPOP-UHFFFAOYSA-N 289.375 3.637 30 20 CHED C#CCCCCNC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 782595666 ZUOHKAZNBAFPQA-ROUUACIJSA-N 298.430 3.501 30 20 CHED N#CC1(COC(=O)c2cc3cccc(Cl)c3o2)CCC1 783136051 GYHOIWMOJCFNFM-UHFFFAOYSA-N 289.718 3.937 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc(C(F)(F)F)nn1 783861672 FQXKVPRRQRDIFG-NXEZZACHSA-N 286.301 3.719 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(N(C)C)c(C)c1 785676475 UUOOKQNMLDFRJE-OAHLLOKOSA-N 287.407 3.633 30 20 CHED C[C@@H](N[C@H]1CCc2ccc(Cl)nc21)c1cccc(C#N)c1 788610849 MOAQKEJJOPLEMF-ABAIWWIYSA-N 297.789 3.945 30 20 CHED CC(=NOCc1ccc(C(F)(F)F)cc1)c1coc(C)n1 789034472 PGSMLTRESMLENL-UHFFFAOYSA-N 298.264 3.943 30 20 CHED CC1(C)C(=NNCCc2ccncc2)C[C@H]1c1ccccc1 789096653 COJXRCLBNSJTOX-KRWDZBQOSA-N 293.414 3.783 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNc1nc2ccccn2n1 790195745 NROLPFPULNKDCT-CQSZACIVSA-N 285.395 3.900 30 20 CHED Clc1cc(Cl)cc(NN=C2CCN3CCC[C@@H]23)c1 790202814 ZMZCZKVWTMBCNV-ZDUSSCGKSA-N 284.190 3.629 30 20 CHED C=CCCN(C)C(=S)Nc1cc(Cl)ccc1OC 792682424 KAHCYYJJQWSMBI-UHFFFAOYSA-N 284.812 3.553 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](OC(C)C)c2ccccc2)c1 794217654 APLZNJZFFMFMIF-SFHVURJKSA-N 293.366 3.773 30 20 CHED CC(=NN=C[C@@H](c1ccccc1)C(C)C)c1cnccn1 794512851 DLQIELCQAMYHED-MRXNPFEDSA-N 280.375 3.711 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCOCC1 794541779 SROFTWZBPBYTOD-HLLBOEOZSA-N 278.440 3.593 30 20 CHED CCCCc1ccc(C(=O)/C=C\c2c(C)cnn2C)cc1 794697197 KPWOSDQBVFRXGG-QXMHVHEDSA-N 282.387 3.967 30 20 CHED CC(C)C1CCC(C=NNc2ncccc2[N+](=O)[O-])CC1 794918536 IVIDSGHCGCODMH-UHFFFAOYSA-N 290.367 3.850 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2c(F)ccc(O)c2F)c1 794940549 AAISWJQZRISFEX-UTCJRWHESA-N 290.265 3.581 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1ccnn1C(C)C)O2 794940998 HUDKDGOZFSAIQK-CXUHLZMHSA-N 282.343 3.697 30 20 CHED COCCN(C)N=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 794965939 GQAIARHDDFVZNZ-ZBFHGGJFSA-N 274.408 3.524 30 20 CHED CCc1oc2ccccc2c1C=NNc1cccc(F)n1 795008053 DQKKPPNMMJJYSI-UHFFFAOYSA-N 283.306 3.975 30 20 CHED COCCCON=CC1CCC(C(C)(C)C)CC1 795048528 MIJXCZSKXOYHJV-UHFFFAOYSA-N 255.402 3.878 30 20 CHED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccncc1 796040413 OPQQDBNZMYZIEG-CYBMUJFWSA-N 294.354 3.801 30 20 CHED N#Cc1ccc(OC(=O)[C@@H](F)CC2CCCCC2)c(F)c1 796826236 KPCZSTXPGQNVRC-AWEZNQCLSA-N 293.313 3.911 30 20 CHED C/C(=C\Cl)CS[C@@H](C)C(=O)Nc1ccccc1C#N 797815443 SLFYFRSNLGFDOX-HUYFXPKMSA-N 294.807 3.761 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H]1/C=C\c1ccccc1)C(C)C 798556027 ZSTTWFFWLPWHJH-ASDDNKKMSA-N 296.414 3.532 30 20 CHED C=C[C@H](OC(=O)c1cc2ccccc2nc1O)C(C)(C)C 798905114 OPWMCTLQCYQEMR-AWEZNQCLSA-N 285.343 3.698 30 20 CHED C=CC[C@@H](N[C@@H]1CCCc2cccnc21)c1ccncc1 798928992 JIUYCAJEPMMIEB-IAGOWNOFSA-N 279.387 3.761 30 20 CHED CSCCON=C1CCC[C@H](c2ncccc2C)C1 799113250 BEPMPJVWTYWAOB-ZDUSSCGKSA-N 278.421 3.783 30 20 CHED COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1C#N 799495612 QKHZHPRYRLKATN-GDNBJRDFSA-N 289.334 3.779 30 20 CHED C#Cc1cccc(NC(=O)NCC2CCC(F)(F)CC2)c1 800516248 MGEQTJCMQYVFLI-UHFFFAOYSA-N 292.329 3.615 30 20 CHED C[C@H]1CC[C@@H](C=NNc2ccnc(Br)c2)C1 800816069 YXSVRJFPXKLIDB-VHSXEESVSA-N 282.185 3.678 30 20 CHED CC#CC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 801186165 MKZFWSODMZCUFG-UHFFFAOYSA-N 294.181 3.632 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)OCCO[C@@H](C)C#N 801838667 GBJFMJIQNSSIKT-GOEBONIOSA-N 295.423 3.845 30 20 CHED C[C@H](C#N)OCCNc1ccc2oc3ccccc3c2c1 802738708 DTZHTFJQACLLOW-GFCCVEGCSA-N 280.327 3.927 30 20 CHED CCC1(CC)[C@@H](Nc2nc(Cl)c(C#N)s2)C[C@H]1OC 804558642 PHPMKKLULSUTAG-VHSXEESVSA-N 299.827 3.674 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C/CCC 804559440 YRGRTSFPMFERAF-CMDGGOBGSA-N 289.423 3.725 30 20 CHED N#CCCCCCC(=O)Oc1ccc(N2CCCC2)cc1 805892162 GJWWNWMOGHGLQB-UHFFFAOYSA-N 286.375 3.666 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)Cc2nc(Cl)ccc21 806579412 GJFIFGDVKFFUJV-SOFGYWHQSA-N 291.684 3.836 30 20 CHED CC(=NN[C@@H]1CCSC1)C(C)(C)c1ccc(F)cc1 808004037 CKCIENWQTZTGIT-CQSZACIVSA-N 280.412 3.574 30 20 CHED C=CCCCCCOC(=O)c1ncccc1CSC 811436243 XIJGRYYYALRYJA-UHFFFAOYSA-N 279.405 3.848 30 20 CHED CC(C)(CCC#N)CNCc1ccnc(Cl)c1Cl 811507475 DHQRLMGYAYRLMZ-UHFFFAOYSA-N 286.206 3.808 30 20 CHED Cl/C=C\CON=C1Cc2ccc(Cl)cc2C1 811671891 MGLVLULWFCNITA-REDYQTBPSA-N 256.132 3.564 30 20 CHED C#CCCCCC(=O)Nc1c2c(cc3c1CCC3)CCC2 813292256 HUTWBMSFZQLYMH-UHFFFAOYSA-N 281.399 3.796 30 20 CHED CCC(=NNCCCc1ccccc1)c1ccc(F)cn1 814837649 FWJNPRJIXOTIRL-UHFFFAOYSA-N 285.366 3.557 30 20 CHED CCCC(=NO[C@H]1CCCCO1)c1ccc(OC)cc1 814888177 RQRRWHUYJAGQGT-INIZCTEOSA-N 277.364 3.743 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2ncccc2F)CS1 814927606 XENNOSXAIJBCOM-NSHDSACASA-N 267.373 3.540 30 20 CHED C#C[C@H](N[C@H]1CCC[C@@H](CCCC(=O)OC)C1)C(C)(C)C 816612324 MCXQATMWFVQALS-JYJNAYRXSA-N 293.451 3.526 30 20 CHED C=CCCCC[C@H](C)NCC1CN(C(=O)OC(C)(C)C)C1 824066784 WGEDDVCUGUKADY-AWEZNQCLSA-N 296.455 3.578 30 20 CHED C=CCC1(C(=O)Nc2ccc(Cl)nc2)CCCC1 824203482 UVDIAZWKFDNGNX-UHFFFAOYSA-N 264.756 3.810 30 20 CHED C=CCCCCN1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 829531772 SAMZVJRLCQJBEL-RYUDHWBXSA-N 262.224 3.858 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2cccc(OCC)c2)c1 834903806 SJQUHOWLZQFCLS-HNNXBMFYSA-N 279.383 3.917 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 834904433 YGXLBWKVGNTCKV-HNNXBMFYSA-N 278.399 3.585 30 20 CHED CC[C@@](C)(C=NNc1ncnc2sc(C)c(C)c12)OC 834924264 ZGODEJUETIMKQO-AWEZNQCLSA-N 292.408 3.521 30 20 CHED COCC1CCC(=NNc2nccc3sccc23)CC1 834943196 VTKVUHRGBSAYOK-UHFFFAOYSA-N 289.404 3.901 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1NN=C1CC(C(F)F)C1 835009552 VHHPYDFDALLWSN-UHFFFAOYSA-N 289.669 3.691 30 20 CHED Cc1cc(N)ccc1C(=O)OCCC1(C#N)CCCCC1 840223537 IOCZZXVJDVSQSH-UHFFFAOYSA-N 286.375 3.598 30 20 CHED COc1ccccc1CCCOc1cccc(OCC#N)c1 842108142 GLZWWGGTMZJDNK-UHFFFAOYSA-N 297.354 3.609 30 20 CHED CCCCCCCCN1CCC([C@H]2C[C@H](N)CCO2)CC1 842478270 GMACBQVBRHAEQU-QZTJIDSGSA-N 296.499 3.565 30 20 CHED N#C[C@H](C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1nc(C2CC2)cs1 842936825 AUOXOJYAAJNKKD-FTYKPCCVSA-N 286.400 3.633 30 20 CHED C#CCCCC(=O)N1CCC[C@@]1(C)Cc1cccc(F)c1 843628533 QOEJLXYZODNZOM-SFHVURJKSA-N 287.378 3.553 30 20 CHED C=C(C)CCNc1cc(Cl)c(OC)c(OC)c1 844618190 LDNLSVFKWIJJEZ-UHFFFAOYSA-N 255.745 3.735 30 20 CHED CCCC(C)(C)C(=O)O[C@H](C)c1cccc(C#N)c1 845357720 RUPDIVWGQNXBNB-GFCCVEGCSA-N 259.349 3.989 30 20 CHED COc1cncc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)c1 849245801 CJHGCSVTZIHSOU-GFHWABCWSA-N 291.350 3.790 30 20 CHED Cc1cc(F)ccc1C(=O)O[C@H](C)CC(C)(C)C#N 851207240 AWDWAQZFAHLNSK-LLVKDONJSA-N 263.312 3.619 30 20 CHED CCCCS[C@@H](C)C(=O)O[C@H](C)CC(C)(C)C#N 851211308 DMYQHRXRMBUJJY-NEPJUHHUSA-N 271.426 3.780 30 20 CHED CCCn1nccc1/C=C/C(=O)c1csc(C)c1 853008352 ORQGZASDJOXGQV-SNAWJCMRSA-N 260.362 3.559 30 20 CHED Fc1cccnc1NN=C[C@H]1CCC[C@H](C(F)(F)F)C1 853343538 IVLFOUHNYCUGSD-UWVGGRQHSA-N 289.276 3.987 30 20 CHED C[C@@H]1CCCCN1N=C1CCC(C(=O)OC(C)(C)C)CC1 853379735 MGBVGYFFAHWYOK-KWCCSABGSA-N 294.439 3.749 30 20 CHED C=C(Cl)CSCc1cc(C#N)ccc1OC 853783911 QUUHSPYJWMWCDF-UHFFFAOYSA-N 253.754 3.553 30 20 CHED C#CC[C@@H](NC(=O)N(CC)[C@@H](C)CC)c1ccccc1 853911842 WMDRCMLEQKJXSC-GOEBONIOSA-N 272.392 3.581 30 20 CHED C#CCCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 855946085 IGZHDJAQCQVYOM-DZGCQCFKSA-N 275.779 3.506 30 20 CHED N#Cc1ccc(CN2CCc3cc(Cl)ccc32)c(F)c1 864027744 JGRDLLSRHMOCIR-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=C(Cl)C[C@@H](NCc1ccc(C2CCC2)cc1)C(=O)O 864519738 XWKQHRNQOXGFMB-OAHLLOKOSA-N 293.794 3.640 30 20 CHED N#C[C@H](CCc1ccccc1)Sc1nccn1C1CC1 865350838 QNHWMIMIEFKIJO-HNNXBMFYSA-N 283.400 3.835 30 20 CHED Cc1ccc(N2CCS[C@@H](c3ccccc3)C2)c(C#N)n1 882126329 ZPCHQYQDWMGDCC-QGZVFWFLSA-N 295.411 3.556 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2ccc(C)s2)CC1 888371717 AEKRRHYXXRZLBI-GFCCVEGCSA-N 263.406 3.980 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1-c1ncco1 889017089 JUKYXBKDNHVZNQ-UHFFFAOYSA-N 285.347 3.819 30 20 CHED N#Cc1csc(C(=O)NCCC2CCC(F)(F)CC2)c1 890061256 FOIYIYYVZGKLAE-UHFFFAOYSA-N 298.358 3.565 30 20 CHED CSC1(c2noc([C@H](C)Cc3ccc(C#N)cc3)n2)CC1 896775754 FBDKOMMCKAHLCY-LLVKDONJSA-N 299.399 3.640 30 20 CHED CC(CC1CCOCC1)=NNc1cc(F)ccc1F 901319600 AAXOTFYGQFJZAE-UHFFFAOYSA-N 268.307 3.569 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cc(Cl)c(N)c(Cl)c1 903031792 FOARNVIYLIUDFQ-SECBINFHSA-N 298.217 3.920 30 20 CHED C=C(C)C[C@H](NC[C@H](CCC)c1ccccc1)C(=O)O 904033680 VTXOJXHEQLHMDI-HOTGVXAUSA-N 275.392 3.579 30 20 CHED COCCOCc1cccc(-c2csc(CC#N)c2)c1 904760262 YZVJJJDDRNTNII-UHFFFAOYSA-N 287.384 3.644 30 20 CHED N#Cc1ccccc1-c1cc(C2CC2)nn1[C@H]1CCCCO1 904776671 JSLHLUVTLTVPQM-GOSISDBHSA-N 293.370 3.998 30 20 CHED C=CCN(C(=O)c1cc2c(s1)CC[C@H](C)C2)C(C)C 915147915 QDDNGYMZRQMMAI-LBPRGKRZSA-N 277.433 3.910 30 20 CHED C=CCN(C(=O)/C=C\c1ccc(Cl)cc1)C(C)C 915148128 XDXYARODRDSACD-YFHOEESVSA-N 263.768 3.776 30 20 CHED C#Cc1cccc(NC(=O)NCCCC2CCCC2)c1 915339954 UWDGKJUTHUXAND-UHFFFAOYSA-N 270.376 3.760 30 20 CHED C=CCN(C(=O)Nc1ccc(F)cc1OCC)C(C)C 916709417 QTMWVVKBVNYVSR-UHFFFAOYSA-N 280.343 3.653 30 20 CHED CCOc1ccc(C(C)=NNCc2ccc(OC)cc2)cc1 917547387 PRSAWBRRPUCYIG-UHFFFAOYSA-N 298.386 3.608 30 20 CHED C[C@@H](NN=Cc1cnn(-c2ccccc2)c1)c1ccccc1 920383273 VDBKUATZPVGQBW-OAHLLOKOSA-N 290.370 3.557 30 20 CHED CCC/C=C\C(=O)NCC#Cc1cccc(C(F)(F)F)c1 920441876 BMFFJHKOKHTFLD-WMZJFQQLSA-N 295.304 3.529 30 20 CHED Cc1ccccc1C[C@H](C)N[C@@H](C)CC(C)(C)C#N 924823032 JJCFQLNBQUXGDE-GJZGRUSLSA-N 258.409 3.844 30 20 CHED CCC[C@@H](NCCCCC#N)c1ncccc1Cl 924942639 PEBIBFUTVCSYOT-CYBMUJFWSA-N 265.788 3.860 30 20 CHED C=CCC1(NCc2coc(C(C)(C)C)n2)CCCC1 931022650 ZMPJJLVNFYVIMP-UHFFFAOYSA-N 262.397 3.951 30 20 CHED N#Cc1ccsc1NC(=O)N1CCC[C@H]1c1ccccc1 931845861 OFYYIEHOFYIMTJ-AWEZNQCLSA-N 297.383 3.989 30 20 CHED CCC1(C)CCN(C(=O)Nc2sccc2C#N)CC1 931845968 GIPPYFFWWZJISO-UHFFFAOYSA-N 277.393 3.664 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 935301164 BVBQQPRXMYUXKJ-IJLUTSLNSA-N 277.330 3.778 30 20 CHED C=C[C@H](CC)CC(=O)NCC1(CCOC)CCCCC1 935471165 KTMWZSOYAYYLPW-OAHLLOKOSA-N 281.440 3.692 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(C)c2nccn2c1 1123422144 XWAWGRVDVCSUHU-HNNXBMFYSA-N 298.390 3.605 30 20 CHED N#CC[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccco1 1123462403 KJXYNFTVUZZZJU-LZWOXQAQSA-N 299.301 3.720 30 20 CHED C[C@@H](CC#N)NC(=O)c1sc2cccc(F)c2c1Cl 1136736919 SWRSWRLGCVTQDX-ZETCQYMHSA-N 296.754 3.726 30 20 CHED CCC1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1145043987 KSDGGHUGQCHCLS-UHFFFAOYSA-N 271.408 3.877 30 20 CHED N#Cc1cnc(NC[C@@H]2CCCc3ccccc32)c(F)c1 1162555867 UKFXLTINXNYBQJ-AWEZNQCLSA-N 281.334 3.624 30 20 CHED Cc1cc(N2CC(C)(C)CC(C)(C)C2)ncc1C#N 1163001099 UFHCBBLVSRWRQY-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C[C@H](Nc1cncc(C#N)n1)c1ccc(F)c2ccccc12 1163428009 PTSRRCUKBASNNA-NSHDSACASA-N 292.317 3.814 30 20 CHED N#Cc1cc(S[C@@H]2CCc3ccccc3C2)ccn1 1163700140 DLJYFHIABGUKNH-OAHLLOKOSA-N 266.369 3.603 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2F)nc1 1297231120 PYRJHCKWFWIFOH-NSHDSACASA-N 299.305 3.501 30 20 CHED N#Cc1nc(Sc2cccc(F)c2)sc1Cl 1306990888 VTDPLNRPPGSGCL-UHFFFAOYSA-N 270.741 3.958 30 20 CHED Cc1cc(C#N)cc(N[C@H]2CS[C@@H](C(C)C)C2)c1 1308816469 AOUFHUZMICSDGR-HUUCEWRRSA-N 260.406 3.809 30 20 CHED C=CCOC(=O)c1csc(-c2ccc(CC)cc2)n1 1317777271 SCDXVXJNWXSRKR-UHFFFAOYSA-N 273.357 3.715 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1F 1319686040 FUAWVVAPJVOAFI-OQFOIZHKSA-N 274.266 3.870 30 20 CHED Cc1cccnc1CSCc1ccccc1C#N 1320670573 PLJWKRJDZPOLPM-UHFFFAOYSA-N 254.358 3.695 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)CCC1CCCCC1 1321297126 HPTJTKKJQUZZLM-UHFFFAOYSA-N 291.782 3.906 30 20 CHED C=CCCCCCCNC(=O)N[C@H]1C=CCCC1 1323182511 JBPYJZGNNJZXTH-AWEZNQCLSA-N 250.386 3.531 30 20 CHED Cc1cccnc1CSCc1ccc(CC#N)cc1 1325765714 XSMIPAULLLCCAO-UHFFFAOYSA-N 268.385 3.890 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1c1cccc(CC#N)n1 1326501081 CHOYMAHFOKRUSM-RKVPGOIHSA-N 291.398 3.919 30 20 CHED CC(C)(C)CN(C(=O)c1csc(C#N)c1)c1ccccn1 1334180014 NCBTVOFBQMLFNP-UHFFFAOYSA-N 299.399 3.708 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1cccc2c1CCCN2 1338984340 NCYHXICZWAEIAY-KRWDZBQOSA-N 272.392 3.610 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)c2ccc(F)cc2)c1 1340357073 QEUFJUBHOOUQBF-YHYXMXQVSA-N 284.286 3.508 30 20 CHED C#CCCCCC(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1344930009 LGJFORHEZNUWSM-LLVKDONJSA-N 299.761 3.586 30 20 CHED C=C[C@@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1 1347091608 UJULRUAWEKJAFZ-CQSZACIVSA-N 279.330 3.650 30 20 CHED C=CC(C)(C)CNC(=O)c1cc2ccccc2nc1Cl 1347663284 SAHFKUHCOVUYKB-UHFFFAOYSA-N 288.778 3.830 30 20 CHED N#C[C@H]1CCC[C@]2(C1)N=C(C13CC4CC(CC(C4)C1)C3)NO2 1350106882 VOZZXUIJYNHWBM-FFUQQFEPSA-N 299.418 3.546 30 20 CHED C#Cc1ccc(NCc2ccccc2COCCC)nc1 1515369677 DSVTTZQTTBBRML-UHFFFAOYSA-N 280.371 3.602 30 20 CHED C#CC[C@@H](C)OC(=O)c1nc(-c2ccccc2)oc1C1CC1 1516696999 QTDAEPRTHKDYRC-GFCCVEGCSA-N 295.338 3.788 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1C 1520423815 UMTPELBPEHKONS-UTUOFQBUSA-N 274.339 3.708 30 20 CHED Cc1ccccc1NC(=O)[C@H](CC#N)c1ccccc1 1523690339 NVQVZDAMMIPQHP-OAHLLOKOSA-N 264.328 3.631 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)CSc1ccccc1 1538447556 IVBQRLKWHVQWDW-KGLIPLIRSA-N 290.432 3.565 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 1543203338 QRECJFDEPQBEIN-TYNCELHUSA-N 251.370 3.684 30 20 CHED C=C(C)c1cccc(NCc2ccc(OCC(=O)O)cc2)c1 1573325520 LATVMFMWWNFHRL-UHFFFAOYSA-N 297.354 3.795 30 20 CHED C=C[C@H](S[C@@H](C)c1ccc(Cl)cc1)C(=O)O 1588715353 WNPSAFDDIXKKQK-KWQFWETISA-N 256.754 3.773 30 20 CHED C=CC[C@@H](C)N[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1 1588735532 DCSJXOZEDLIETF-PELKAZGASA-N 288.174 3.673 30 20 CHED COC(=O)c1occc1CSc1ccc(C#N)c(C)c1 1614552710 CKMGVUSDFPZBLJ-UHFFFAOYSA-N 287.340 3.539 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)C1CCCC1 1625418665 VLPOTELGGYXSLU-OAHLLOKOSA-N 289.354 3.788 30 20 CHED N#CCC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1640748760 HGAFBZGWAAJCOO-UHFFFAOYSA-N 293.351 3.562 30 20 CHED C[C@@H]1CCN1C(=O)c1ccccc1Oc1ccccc1C#N 1651431464 YAWXXTIHTCAZNP-CYBMUJFWSA-N 292.338 3.585 30 20 CHED Cc1cc(CNc2cncc(Cl)c2)ccc1C#N 1660709801 SHSYRSFQLKUFCJ-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2cc(F)cc(C#N)c2)CC1(C)C 1679890515 LZHWXGIMCDQLCQ-CQSZACIVSA-N 289.354 3.596 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)c1ccccc1 6448160 MKDYVYYMZVPWJY-KGLIPLIRSA-N 295.338 3.630 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1ccc(F)c(F)c1 7712426 ZNYNYBDLZHOESR-FPYGCLRLSA-N 260.239 3.567 30 20 CHED Cc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1 19804328 FJCCUMVPCVWKFZ-UHFFFAOYSA-N 251.289 3.511 30 20 CHED N#CC1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 32182021 XLQHCNYZDQWCQD-UHFFFAOYSA-N 299.201 3.608 30 20 CHED C[C@H](Nc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 36335388 NPVBADTUAVYFJR-ZDUSSCGKSA-N 265.360 3.797 30 20 CHED C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 37185918 YJVGSOKUGMJXSW-ZIAGYGMSSA-N 250.345 3.970 30 20 CHED C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(O)c1 37319314 BARYYDRUGUWIAE-STQMWFEESA-N 266.344 3.676 30 20 CHED Cc1ccc(Cl)cc1NC(=O)NCc1cccc(C#N)c1 43357102 RJZHWZCXTKUFQX-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@@H]1C 45603479 IRRIKBWZABIHDC-GXSJLCMTSA-N 269.797 3.572 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 45851782 NBSPGUFENSTZQK-HNNXBMFYSA-N 292.382 3.514 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1O 48456620 MACFBDYGLCYGAX-RWJXEWCUSA-N 276.336 3.688 30 20 CHED Cc1cc(C)cc(N(C)C(=O)CCc2ccc(C#N)cc2)c1 55898641 MEPSVYIIJMPOHU-UHFFFAOYSA-N 292.382 3.771 30 20 CHED N#Cc1ccnc(N[C@H]2CCCc3sccc32)c1 61364344 FOXXUSCSMRTLBD-LBPRGKRZSA-N 255.346 3.504 30 20 CHED CN(C(=O)c1ccc(Cl)cc1F)c1ccc(C#N)cc1 61954865 GQJNLZNLMPGKIL-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=C(C)CNC(=S)N[C@H](C)CC(C)(C)c1ccccc1 66012462 HSEBYJFPFIAJFK-CQSZACIVSA-N 290.476 3.783 30 20 CHED COc1ccccc1[C@@H]1C[C@H]1Nc1ccc(Cl)c(C#N)n1 67371296 YDCVOMGOUIONQL-WCQYABFASA-N 299.761 3.583 30 20 CHED CN(CCC#N)c1nc(-c2ccccc2)nc2ccccc12 78254227 MJPLAZUPDAHDOO-UHFFFAOYSA-N 288.354 3.647 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1Cl)c1ccncc1 78306065 QMOIKPJMXBCRQG-ZDUSSCGKSA-N 272.739 3.565 30 20 CHED C=CCc1ccc(OCc2nc(C(C)C)no2)c(OC)c1 78381221 SCWWRJSIOZMJNI-UHFFFAOYSA-N 288.347 3.509 30 20 CHED Cc1cc(COc2ccccc2C#N)c2ccccc2n1 78717699 AAIMRDWMOAZSCH-UHFFFAOYSA-N 274.323 3.994 30 20 CHED CC(C)N(C)c1cccc(NC(=O)c2cc(C#N)cs2)c1 84109380 KHDASWAKDQMSRV-UHFFFAOYSA-N 299.399 3.717 30 20 CHED N#CCCCCN(Cc1ccccc1)C[C@@H](O)c1ccco1 84135133 VBCSESXEOSANOP-QGZVFWFLSA-N 298.386 3.509 30 20 CHED C=CCC[C@H](CC)NCCc1nc2cc(F)ccc2n1C 90044022 BFAQEPRBSZBAHL-AWEZNQCLSA-N 289.398 3.589 30 20 CHED N#Cc1ccc(NC(=O)N2CCCCC2)cc1C(F)(F)F 91969260 MVKVESOLEAXNBF-UHFFFAOYSA-N 297.280 3.595 30 20 CHED Cc1ccc(C[C@H](C)NCc2cc(C#N)cs2)s1 93492676 QTBQBUSEWCTBMY-JTQLQIEISA-N 276.430 3.711 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94543968 INSIMCCDBUYRGG-KJMCLAQRSA-N 288.435 3.744 30 20 CHED C[C@H](CCNC(=O)Nc1ccc(C#N)cc1)c1ccccc1 96707387 DHVHEGMEEBNOSW-CQSZACIVSA-N 293.370 3.874 30 20 CHED C=CCCC(=O)N(Cc1cccnc1)c1ccc(F)cc1 102235053 PGSMZKQPLFKRNH-UHFFFAOYSA-N 284.334 3.720 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1ccc(F)cc1 103010803 MCFIUCONSZHFEM-MFOYZWKCSA-N 263.699 3.804 30 20 CHED CC(C)CN(Cc1ccccc1C#N)C1CCCC1 110364194 CJFDPGUHCXJGMT-UHFFFAOYSA-N 256.393 3.959 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)CC1CCCC1 110842470 VAOBWYFZUOKWDY-GOSISDBHSA-N 284.403 3.598 30 20 CHED CCc1ccc(CNc2ccc(C#N)cc2F)s1 112012012 UJFFBMFDPGINJG-UHFFFAOYSA-N 260.337 3.933 30 20 CHED N#Cc1ccc(COc2ccc(Cl)c([N+](=O)[O-])c2)cc1 114636254 UVZCFTDKGZMQIO-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(C)cc1 116863611 NYPIYMIQYWJTSS-CHWSQXEVSA-N 263.406 3.556 30 20 CHED Cc1csc([C@@H](C#N)C(=O)/C=C/C2CCCCC2)n1 118141030 MTYCSUMKGLMSFU-GWJCSSMESA-N 274.389 3.764 30 20 CHED C[C@H](Sc1nnnn1C1CCCC1)c1ccc(C#N)cc1 118174359 OGZJHQSXQKERFY-NSHDSACASA-N 299.403 3.513 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(Cl)c(OC)cc1OC 119356205 LNNBDLPXPXAESM-VHSXEESVSA-N 269.772 3.582 30 20 CHED CCCCCCC(=O)Nc1ccc(F)cc1OCC#N 120202084 NHSBBLGULXSIIG-UHFFFAOYSA-N 278.327 3.637 30 20 CHED CC(C)CN(CCCCC#N)C[C@H](O)c1ccc(F)cc1 121296012 UOTMWVMPOQAMFF-KRWDZBQOSA-N 292.398 3.511 30 20 CHED N#CC1CCN(Cc2nc(-c3ccccc3)cs2)CC1 123712654 NFDRJAIYNHHUDU-UHFFFAOYSA-N 283.400 3.546 30 20 CHED CCCCc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1 124132071 BLIUBAGLFJCPDM-UHFFFAOYSA-N 270.376 3.908 30 20 CHED COc1cccc([C@H]2CCCN2Cc2ccc(C#N)s2)c1 124244453 VNJIMFIMHBGRAJ-QGZVFWFLSA-N 298.411 3.965 30 20 CHED C[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)C(C)(C)C 125386622 OMMZNGAQMPNPHV-SNVBAGLBSA-N 261.325 3.561 30 20 CHED CC(C)c1nc(CSCc2cc(F)ccc2C#N)no1 125549966 QICDUJNQZFATGV-UHFFFAOYSA-N 291.351 3.637 30 20 CHED C=C[C@H](CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 125603443 WYILQMRAYJPXTL-CYBMUJFWSA-N 291.354 3.861 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2ccccc2F)cc1 127036108 KCFVRFSHOIOVAH-LBPRGKRZSA-N 270.307 3.729 30 20 CHED N#Cc1cc(NC(=O)c2cccc(Cl)c2F)ccc1F 127292255 IHTQDSKUTIVHCB-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1cc(F)ccc1CN[C@H](c1ccccc1)C1CC1 128099872 JFTFXUKAXVGOER-GOSISDBHSA-N 280.346 3.938 30 20 CHED COCc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1 132656718 CODFDDHNXBJVDV-LICLKQGHSA-N 278.351 3.964 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cnc(C(C)C)s2)c1 132672787 ZDVDTRSXHWJGSN-UHFFFAOYSA-N 298.411 3.915 30 20 CHED C[C@@H](Cc1cccc(F)c1)Nc1cccc(OCC#N)c1 133736756 YNOQXUOBWQPUEF-ZDUSSCGKSA-N 284.334 3.771 30 20 CHED CSC(C)(C)CNc1nc(C(F)(F)F)ccc1C#N 135361496 MTZHLFKFUGOKPJ-UHFFFAOYSA-N 289.326 3.526 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)OCc1ccc(C#N)cc1 150747328 PHZZFPFPQWBQTP-ZDUSSCGKSA-N 297.329 3.619 30 20 CHED CC[C@](C)(C#N)NC(=O)CCC(C)(C)c1ccccc1 151727554 ODTXIAGQQGZZFK-QGZVFWFLSA-N 272.392 3.553 30 20 CHED CCc1ccccc1C(=O)Nc1ccc(F)c(C#N)c1 153609180 RMQPZLWTVWCFAI-UHFFFAOYSA-N 268.291 3.512 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)Oc1ccc(C#N)cc1 155700997 ZVMGTMAZIWTRPY-MRXNPFEDSA-N 287.359 3.592 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccnn1CC1CC1 160593358 CLKPZHKSAYRWHD-UHFFFAOYSA-N 290.411 3.503 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccccc2)c1C 160685706 DRYKILRLKSNULM-ZHACJKMWSA-N 268.360 3.806 30 20 CHED C=CCCNC(=O)CCCSc1ccc(Cl)cc1 162223538 QSXAHWYRYGLFRL-UHFFFAOYSA-N 283.824 3.905 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)c1cccc(F)c1F 165724844 QKONZQIEEJDZSC-NSHDSACASA-N 282.334 3.633 30 20 CHED N#CCCCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 170819897 YJHKGBDPINVZEA-WDEREUQCSA-N 298.169 3.944 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(Cl)nc1 171530935 DBDJZFMIMKNKHX-UHFFFAOYSA-N 288.734 3.552 30 20 CHED C=CC1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 171882393 QDRMMMCPVGCSDQ-GQCTYLIASA-N 281.808 3.839 30 20 CHED CCCCC[C@@H](C)CC(=O)N[C@](C)(C#N)C(C)C 172946633 SBXLZCUDQDJZGF-UKRRQHHQSA-N 252.402 3.647 30 20 CHED C#CCCCNC(=O)c1ccccc1N(C)c1ccccc1 172950226 LRFVMSRVIYNOEL-UHFFFAOYSA-N 292.382 3.598 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C)c(Cl)c1 173020779 SLCWRLQELCCJIX-UHFFFAOYSA-N 267.756 3.570 30 20 CHED C=CCCCSCC(=O)N(Cc1ccc(C)o1)C1CC1 173828567 WHUOZEUCTNREDQ-UHFFFAOYSA-N 293.432 3.778 30 20 CHED CC/C(=C\C(=O)N[C@H](C#N)CC)c1cccc(Cl)c1 174271185 MGGYATWTGFCNDP-MARXPDLDSA-N 276.767 3.552 30 20 CHED C#CCCCNC(=O)Nc1ccc2c(ccn2CCC)c1 176142156 IRFLHKMCYQNKDQ-UHFFFAOYSA-N 283.375 3.586 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@](C)(O)C1 177421551 LXCMPNLWWQPRGK-INIZCTEOSA-N 269.429 3.501 30 20 CHED COc1cc(Cl)ccc1CNCc1cc(C#N)cs1 177698320 BEBUAAPFQCEKLL-UHFFFAOYSA-N 292.791 3.572 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1CC 178183926 ALVXCEAKPKTTNB-UHFFFAOYSA-N 294.354 3.772 30 20 CHED CC(C)(C)Oc1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)cc1 179892134 GKFZPYGUOCEPSS-DOMZBBRYSA-N 287.359 3.713 30 20 CHED CC(C)(C)C[C@H](NCc1ccc(C#N)o1)C(F)(F)F 180366628 XZKQBTAEPJIOSR-NSHDSACASA-N 274.286 3.608 30 20 CHED C=C(C)COc1cccc(NC2CCN(C(C)C)CC2)c1 180456141 CKJDGVDTKBEHGK-UHFFFAOYSA-N 288.435 3.926 30 20 CHED COc1cccc(CSCc2ccc(C#N)cc2F)n1 180483776 GCFVZZUXMCIBNR-UHFFFAOYSA-N 288.347 3.534 30 20 CHED C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(OCC#N)cc1 180547916 PVGZCTPJBUBOKS-KUHUBIRLSA-N 292.382 3.612 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1ccc(OCC#N)cc1)CC2 180550598 JBGCZJSVRCHIQR-LJQANCHMSA-N 292.382 3.675 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCSc2c(F)cccc21 180672684 ZMWCOVAUNSYBMV-CYBMUJFWSA-N 294.395 3.580 30 20 CHED C=C(C)CN1CCC(NC(=O)C2(CC)CCCCC2)CC1 184114704 PLRGDNCSOCOYBA-UHFFFAOYSA-N 292.467 3.504 30 20 CHED CC(C)(C)[C@@H](NC(=O)CC#N)c1cccc(C(F)(F)F)c1 184917616 UBHXTSCCHPKAAR-ZDUSSCGKSA-N 298.308 3.822 30 20 CHED CC#CCCCC(=O)Nc1cccc(CN(CC)CC)c1 185086221 BOYWEDZDXYEBBT-UHFFFAOYSA-N 286.419 3.661 30 20 CHED CC(C)(C#N)CCCN1CCSC[C@@H]1c1nccs1 187036151 PVYBAZRCXHYZPM-GFCCVEGCSA-N 295.477 3.563 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)c2ccco2)CC1 187288030 BTWQVWCTGNMAJV-UHFFFAOYSA-N 274.364 3.508 30 20 CHED Cc1nc(C(=O)Nc2ccc3occ(C)c3c2)ccc1C#N 187288842 RDXYDWOWNHMSAQ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)cc1C 189903923 PEQYDKPLFJBZQU-UHFFFAOYSA-N 276.355 3.679 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1csc(Cl)c1 189919464 PRPLIKMODAVKKL-UHFFFAOYSA-N 284.812 3.946 30 20 CHED N#Cc1ccc(OCCOc2ccc(C#N)c(Cl)c2)cc1 190266647 LZCDBEYZIIATIT-UHFFFAOYSA-N 298.729 3.541 30 20 CHED C#CCCCC(=O)NCC(c1ccccc1)c1ccccc1 192041481 XYPPJJTXGKCBEF-UHFFFAOYSA-N 291.394 3.738 30 20 CHED C=CCN(CC=C)C(=O)C(C)(C)c1ccc(Cl)cc1 193120729 ZTLHZEZWLCQKBW-UHFFFAOYSA-N 277.795 3.818 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 193358749 HOZMEQRZBAIDTJ-BEFAXECRSA-N 298.430 3.770 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1CCCO[C@@H]1c1ccccc1 194313791 SFJMXLSMSYHVHD-WMXHQWKFSA-N 295.382 3.979 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(OC)ccc1Cl 195047548 BAUOCWBTQHMGHM-UHFFFAOYSA-N 280.755 3.555 30 20 CHED CCCCN(C)c1ccc(Br)cc1C#N 227634957 YJBORYVWKXBGGG-UHFFFAOYSA-N 267.170 3.557 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1nccc(C#N)c1Cl 233813370 GQFZGHOWXPSRRI-WDEREUQCSA-N 281.812 3.693 30 20 CHED CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 234029217 ORBNKFODGXCUFK-KRWDZBQOSA-N 280.371 3.808 30 20 CHED CC(C)CC1(CNCc2cc(C#N)cs2)CCC1 236673076 MQRYKEXNHSIECJ-UHFFFAOYSA-N 262.422 3.926 30 20 CHED CCCCCCCCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 247172294 LHXOWDMBQKFTFG-NUEKZKHPSA-N 281.440 3.667 30 20 CHED C=C(Cl)CN1CCCCC[C@H]1C[C@@H](O)c1ccco1 247364900 HLLICHYNPFJCQZ-UONOGXRCSA-N 283.799 3.700 30 20 CHED CCCO[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)CC1 248983175 VVIMMMBQHQMSTJ-QAPCUYQASA-N 286.419 3.900 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2F)C[C@H]1C 251744071 JLMFNJXNQAOTFT-LALPHHSUSA-N 260.356 3.612 30 20 CHED CN(CCCCC#N)Cc1cc(Br)ccc1F 263825816 SFVMPEIAHJAXJC-UHFFFAOYSA-N 299.187 3.714 30 20 CHED CCN(CCC#N)Cc1ncc(-c2cccc(Cl)c2)o1 267085473 ODYAWQRWADCART-UHFFFAOYSA-N 289.766 3.731 30 20 CHED C=CCCCC(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 267227046 VJUVPWCBZJVDGM-HNNXBMFYSA-N 299.374 3.709 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 268176191 RUNYLQUIBXOIKY-ZDUSSCGKSA-N 268.360 3.504 30 20 CHED C=CCC[C@H](NCc1ccc(OC)cn1)c1ccccc1 272087369 XIARIYFVMZOILP-SFHVURJKSA-N 282.387 3.887 30 20 CHED N#CCN(Cc1ccc(Oc2ccccc2)o1)C1CC1 272596777 SVYVSTSBYPLPRH-UHFFFAOYSA-N 268.316 3.560 30 20 CHED C=CCCN(C)C(=O)Nc1cc(-c2nc(C)co2)ccc1C 276020292 BZNIVERLNQTFGA-UHFFFAOYSA-N 299.374 3.998 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](C(F)(F)F)C1(C)C 276137856 AUVBQKPDOUSDLR-LBPRGKRZSA-N 289.341 3.944 30 20 CHED Cc1cc(CNC(=O)CC(C)(C)C#N)c2[nH]c(C)c(C)c2c1 278212676 HEWWIHNRVSZCMZ-UHFFFAOYSA-N 297.402 3.649 30 20 CHED CC(C)(C#N)Cc1nc(-c2cc3ccccc3o2)no1 279052106 RONVZIBBOQPJHF-UHFFFAOYSA-N 267.288 3.575 30 20 CHED CC(C)[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 280701675 WJNIDWFDGLICMG-MRXNPFEDSA-N 284.403 3.748 30 20 CHED N#CC1(CCCNc2ccc(F)c(F)c2F)CCOCC1 281159434 KLODXBREUWBUNQ-UHFFFAOYSA-N 298.308 3.616 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc2c(cc1Cl)OCO2 281211397 CJPTYINGLBVPQB-VIFPVBQESA-N 296.754 3.545 30 20 CHED C=CCCCCCCNC(=O)c1cc2ccccc2c(O)n1 286919614 GDPCXFZALMQKFR-UHFFFAOYSA-N 298.386 3.807 30 20 CHED C=C[C@@](C)(CC)c1nc([C@H](OC)c2ccc(F)cc2)no1 289768885 POCUOHCKYYBQRF-CJNGLKHVSA-N 290.338 3.798 30 20 CHED C=CC[C@H]1N(Cc2cnc([C@H](C)O)s2)CCCC1(C)C 289850649 VKTLJYCVBJKOLW-GXTWGEPZSA-N 294.464 3.763 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCCC(F)(F)C2)s1 291813837 YKRRWHUKPOUXDK-NSHDSACASA-N 284.375 3.925 30 20 CHED Cc1cc(-c2ncccc2NC(=O)CCCC#N)cs1 291951074 CNABQBXGWYXECY-UHFFFAOYSA-N 285.372 3.751 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C(C)(F)F 292697258 AIXOWCRVNFDPQK-LBPRGKRZSA-N 294.345 3.588 30 20 CHED N#CC1CCN(c2nc(-c3ccccc3F)cs2)CC1 292768083 LRFMMOGNFGOZQQ-UHFFFAOYSA-N 287.363 3.689 30 20 CHED Cc1ccc([C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 294560071 ZDKOXIFNELMQEI-KDOFPFPSSA-N 282.387 3.646 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(C)cs1 294591732 NDBNWJJZCIQKSH-UHFFFAOYSA-N 278.421 3.849 30 20 CHED COc1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1 299392827 RWAVJTAJEMWKIM-AWEZNQCLSA-N 280.371 3.760 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1cc(C)no1 299443975 XIFYLKGQYHAICZ-UHFFFAOYSA-N 295.427 3.875 30 20 CHED N#Cc1cccc(Cl)c1NCc1cccc(F)c1 301346910 HNEAVAPMKBTOSL-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C 301506277 ZZMLYIKYFDFARR-NXEZZACHSA-N 268.282 3.812 30 20 CHED C=C[C@H](C)Nc1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 301626372 ZZQGEWSZYQUHKX-NSHDSACASA-N 298.346 3.601 30 20 CHED CC(C)CCC1CCN(c2cccc(C#N)n2)CC1 301670005 YLNIJPTVGSMIOK-UHFFFAOYSA-N 257.381 3.606 30 20 CHED CN(CC1CCCC1)c1ccc2cc(C#N)ccc2n1 301984519 SLICPJIOLPJUBS-UHFFFAOYSA-N 265.360 3.733 30 20 CHED CCc1ccccc1CNc1cc(C(C)=O)ccc1C#N 302088633 FWGVKHXQJZWTFV-UHFFFAOYSA-N 278.355 3.935 30 20 CHED CCO[C@H](CNc1ccc(C#N)cc1)c1ccccc1 302822925 KZGPTYMWBGPHHS-QGZVFWFLSA-N 266.344 3.748 30 20 CHED CC(C)(CNc1c(C#N)cccc1C#N)c1ccccc1F 302882987 KMABTBIPBZYTFN-UHFFFAOYSA-N 293.345 3.959 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCOc1ccccc1C#N 303694687 MZJLBACBARTDDA-INMHGKMJSA-N 284.403 3.590 30 20 CHED CCC1(C/N=C(/N)Nc2ccc(C)c(C)c2)CCC1 304852780 SIRMZUSRIPYUJT-UHFFFAOYSA-N 259.397 3.610 30 20 CHED C#C[C@@H](NCc1sccc1Br)C(C)(C)C 309083758 UJRBXVZKTZHFKH-LLVKDONJSA-N 286.238 3.648 30 20 CHED C[C@@H]1CCC[C@@](CN[C@H](C)c2ccc(C#N)cc2)(N(C)C)C1 314981812 XUGQGYNOMLXLSI-GPMSIDNRSA-N 299.462 3.719 30 20 CHED COc1cc(CN2CCCCCCCC2)ccc1C#N 321923915 JLIHKOMGUSWUGH-UHFFFAOYSA-N 272.392 3.723 30 20 CHED Cc1ncc(N=C(O)c2sccc2C)c(C2CC2)n1 328764138 GCSXMERUSJMHPU-UHFFFAOYSA-N 273.361 3.669 30 20 CHED Cc1noc(C)c1CSCCCC1(C#N)CCOCC1 330377361 FFEYLSGKJDMMRQ-UHFFFAOYSA-N 294.420 3.625 30 20 CHED CCc1ocnc1/C(O)=N/[C@@H](C)c1cc(C)oc1C 330869428 WQWSXZCTXBGPAK-VIFPVBQESA-N 262.309 3.513 30 20 CHED CCc1nc(/C(O)=N/[C@H]([C@H](C)CC)C(F)(F)F)co1 331216510 DURKXHOWHBRWBA-GMSGAONNSA-N 278.274 3.519 30 20 CHED N#Cc1ccnc(SCc2ccn(C3CCCC3)n2)c1 331976257 VPBVGKNEGWUZDH-UHFFFAOYSA-N 284.388 3.557 30 20 CHED N#CCc1ccc(NC(=O)C2=CCCCC2)c(Cl)c1 334532033 LOHZGUXECYEMST-UHFFFAOYSA-N 274.751 3.845 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)s1 334919851 VFICCJAMGHUCEL-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@H]1CCN([C@H](C(=N)O)c2ccc(C#N)cc2)CC1(C)C 336010738 MCNYQKVQENZTQU-WFASDCNBSA-N 285.391 3.503 30 20 CHED CC1(C#N)CCC(NCc2ccc3ncccc3c2)CC1 336224522 JNXSVNKBWCHVGI-UHFFFAOYSA-N 279.387 3.797 30 20 CHED CS[C@@H]1CCC[C@H](NC2CCC(C)(C#N)CC2)C1 336225916 CEXFHODDDQLCSB-RAFNIBEQSA-N 266.454 3.723 30 20 CHED C=CCC1(C(=O)N2CCC3(CCOCC3)C2)CCCCC1 336228437 PIJLSPBNQUCPCP-UHFFFAOYSA-N 291.435 3.542 30 20 CHED CC1(C)CCCN(Cc2nc(C3CC3)cs2)[C@@H]1C#N 336486753 YZNTWFSOYDJDPK-CYBMUJFWSA-N 275.421 3.535 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C)CCC[C@@H]1C 337943414 FZVPDYGZMFCXRE-OLZOCXBDSA-N 270.376 3.517 30 20 CHED CCOc1cc(C#N)ccc1OC[C@@H](OC)c1ccccc1 338411475 UMMWPUXEOYXMCS-GOSISDBHSA-N 297.354 3.723 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(OC(F)F)cn2)n1 340768825 FVPAECYDGPELLA-UHFFFAOYSA-N 295.289 3.587 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCC[C@H]1F 340927976 PXJVMQPIAPFFOA-OLZOCXBDSA-N 279.380 3.585 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCc2cc(Cl)ccc21)OCC 341693286 FNSCKJUSDIVPOI-OAHLLOKOSA-N 293.794 3.600 30 20 CHED N#CCc1ccc(COc2cccc(-n3ccnc3)c2)cc1 342472010 BGGZXLSFHLWOLB-UHFFFAOYSA-N 289.338 3.517 30 20 CHED C=CCCOCCCCC(=O)N1c2ccccc2C[C@@H]1C 342582488 HCQFEFJBQKZFGY-HNNXBMFYSA-N 287.403 3.727 30 20 CHED N#Cc1ccnc(N2Cc3ccccc3C3(CC3)C2)c1Cl 343016028 NVVPYVDMGPXULA-UHFFFAOYSA-N 295.773 3.658 30 20 CHED Cc1ccnc(NC[C@@H](C)COCc2ccccc2)c1C#N 343501293 CDSWWZZEGXNVEV-CQSZACIVSA-N 295.386 3.527 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 343863924 JPYCXCIOXQJQDQ-OAHLLOKOSA-N 274.364 4.000 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H](C)c1ccon1)c1ccccc1 347823556 UXPNWEZBXMRPHI-BBRMVZONSA-N 299.374 3.742 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(OCC)n1 351594220 COCOPNUVJATIGF-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C[C@@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@H](C)C1 354344494 VAGBVZFRHGHSIT-VXGBXAGGSA-N 290.794 3.720 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@H]2CCC(=O)[C@@H]2C)CCCC1(C)C 357120027 HDPKOYVPWOOIOK-FMKPAKJESA-N 291.435 3.585 30 20 CHED Cc1ccnc(CSCc2ccc(Cl)cc2C#N)n1 358646905 FCFMPCBJNUSYFQ-UHFFFAOYSA-N 289.791 3.744 30 20 CHED Cc1cccc2c1OC/C(=C\c1nc(Cl)cs1)C2=O 361234053 HLCPETSYXVUVTJ-WEVVVXLNSA-N 291.759 3.764 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(Cl)ccc1OCC1CC1 361280736 DPRURUUWKJNGNT-GFCCVEGCSA-N 292.810 3.863 30 20 CHED C=CCN(C(=O)C[C@@H]1C[C@H]1C)c1nc2c(s1)CCCC2 361348033 GOYBGMJHOKRWME-NEPJUHHUSA-N 290.432 3.587 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccc(C2=CCCC2)cc1 362116887 BTSIHXROSOISKC-INIZCTEOSA-N 268.360 3.532 30 20 CHED CC(C)c1ccsc1C(=O)N[C@H](C#N)C(C)(C)C 362342925 PBQADWDUIBJADT-LLVKDONJSA-N 264.394 3.540 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCC12CCCCC2)OCC 366899116 AEFMVUINXWOTDR-OAHLLOKOSA-N 279.424 3.683 30 20 CHED COc1cccc(C2(F)CCN(CCCCC#N)CC2)c1 374176412 VUOUJXKJODCLDJ-UHFFFAOYSA-N 290.382 3.650 30 20 CHED C=CCCC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C 374258965 QPWURLHXJBGCBT-GOEBONIOSA-N 257.377 3.747 30 20 CHED C=C[C@@H](CC(=O)N1CC2CCC1CC2)c1ccccc1 378385416 XZNWYOQKWZKEPA-CKDBGZEDSA-N 269.388 3.747 30 20 CHED CC[C@H](C)[C@H](CNc1cccc(Cl)c1C#N)OC 381303335 RIORIEDUQHNXPW-HZMBPMFUSA-N 266.772 3.685 30 20 CHED CCC[C@@H](CNc1ccc(Br)cc1C#N)OC 383244927 DEKWOANBYCITGU-LBPRGKRZSA-N 297.196 3.548 30 20 CHED C=CCCCCN[C@@H](C)Cc1ccc(OC)c(OC)c1 383744560 TUYSCWXRRIKBBB-AWEZNQCLSA-N 277.408 3.581 30 20 CHED N#Cc1ccc(CN2CCC3(CC2)CC3(F)F)c(Cl)c1 404888641 KBMDLHPIKVFBKC-UHFFFAOYSA-N 296.748 3.833 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@H]1C 409713244 VXVFUKNBNMEEGZ-TZMCWYRMSA-N 278.421 3.634 30 20 CHED C[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H]1C 410512285 JIVUKFNUZAWTKR-LSDHHAIUSA-N 298.430 3.774 30 20 CHED CCCC[C@@H](C)C(=O)Nc1ccc(C#N)cc1C(C)=O 411058903 SIXZRCNOKWUTHJ-LLVKDONJSA-N 272.348 3.526 30 20 CHED N#CCCCCN1CCCc2c(F)c(F)cc(F)c21 412099705 QLOCOEHHKGTJEW-UHFFFAOYSA-N 268.282 3.550 30 20 CHED COc1cccc(-c2nc(CSCCC#N)cs2)c1 413015526 SWTNHZJFWWIQBU-UHFFFAOYSA-N 290.413 3.966 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc(Cl)s1 414160143 CPVXJEGWUZGFIO-SECBINFHSA-N 256.802 3.992 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ccc(C)cn1 414535703 LZIMXTFUFAMUMD-QGZVFWFLSA-N 266.388 3.667 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(Cl)c(SC)c1 417281533 RYSFKRDGCSWWGE-SECBINFHSA-N 297.811 3.876 30 20 CHED N#CC1(CNCc2ccc(F)cc2C(F)(F)F)CCC1 418143506 PUENAWCKFYRPSH-UHFFFAOYSA-N 286.272 3.628 30 20 CHED CC[C@H](Cc1ccc(C)cc1)NCC1(C#N)CCC1 418144031 SBOGTJBQUKLXDR-MRXNPFEDSA-N 256.393 3.600 30 20 CHED N#Cc1nc(N2CC[C@H](C3CCCC3)C2)ccc1Cl 420619088 NYCCGRHHWRBULN-LBPRGKRZSA-N 275.783 3.623 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421551943 AXQRBEUVFZSMQW-HIFRSBDPSA-N 295.386 3.893 30 20 CHED CCCC[C@@H](CC)CC(=O)NCc1ccc(C#N)s1 421598602 AXHGJNVBBCLQJI-GFCCVEGCSA-N 278.421 3.842 30 20 CHED C=CCc1cccc(F)c1OCC[C@H]1CCCO1 424099569 JFKYWRNTKZEMHX-CYBMUJFWSA-N 250.313 3.502 30 20 CHED CC[C@H](CC(F)(F)F)Nc1c(C#N)cccc1[N+](=O)[O-] 425236034 FGBMGJJJUHFQKT-SECBINFHSA-N 287.241 3.609 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccnc3c(Cl)cccc23)C1 425271200 HRAHXAXEJYIMLK-WDEREUQCSA-N 271.751 3.992 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc(Cl)s1 432071910 NKBHDLFDPULCOK-UHFFFAOYSA-N 286.828 3.803 30 20 CHED CC1(C)CCCN(C(=O)CC2CCCCCC2)[C@@H]1C#N 434037102 OMEAUQRRUWTKPN-OAHLLOKOSA-N 276.424 3.888 30 20 CHED C=CCCC(=O)N1CC[C@](C)(CCc2ccccc2)C1 434245786 NRIHFMSIQHOKAL-SFHVURJKSA-N 271.404 3.824 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(Cl)ccc1F 435737098 DMTKGMYEKZSGRS-ABAIWWIYSA-N 283.774 3.550 30 20 CHED C=CCCCSCC(=O)NCc1ccc(CC)s1 437270036 QMSUIKZIOPUZBG-UHFFFAOYSA-N 283.462 3.626 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1ccc(SC)cc1 438000578 ZSTYFPGPTNLUIT-UHFFFAOYSA-N 292.448 3.559 30 20 CHED C[C@]1(N[C@@H]2CC[C@@H](C#N)C2)CCCc2ccccc21 442831051 UXHKOZWLTQPLBQ-UNEWFSDZSA-N 254.377 3.520 30 20 CHED CCCC[C@H](C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 443420201 STLGGJPCXVTAIU-LBPRGKRZSA-N 275.396 3.880 30 20 CHED C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H](C)C1 443640164 MNACYAUGROEOKR-CHWSQXEVSA-N 260.356 3.565 30 20 CHED CC(C)(C#N)CCCCN1CCCC(C)(C)[C@@H]1C#N 444717788 NJQQSDWAFIQANB-AWEZNQCLSA-N 261.413 3.721 30 20 CHED N#C[C@H]1N(CCC2CCCCC2)CCC[C@@]12CCCCO2 447916404 VFIFRJZUHQRUED-MSOLQXFVSA-N 290.451 3.884 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC[C@H]1C 448593523 BFCVXJYHTMRMSX-IPYPFGDCSA-N 270.376 3.763 30 20 CHED C=CCOc1ccc(CC(=O)N(CC)C2CCCC2)cc1 448719767 LQGHGARUQYZOJX-UHFFFAOYSA-N 287.403 3.585 30 20 CHED CC(C)c1nc2ccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)cc2s1 448814428 VSHQHQYALHXIDO-MGPLVRAMSA-N 299.399 3.908 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H](C)c1cc(F)cc(F)c1 449298152 GDBXECIQYHFNAP-XNJGSVPQSA-N 295.373 3.639 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc(N2CCC2=O)c1 449302921 LFBQXMAGLZMTEX-OAHLLOKOSA-N 286.419 3.648 30 20 CHED C=CCC1(C(=O)Nc2ccc(Cl)cn2)CCCC1 449793080 ZQGKDDINVZFFNT-UHFFFAOYSA-N 264.756 3.810 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@H](C)C1CCCCC1 450040110 HAWJGKFHRHOPJJ-RYUDHWBXSA-N 287.407 3.530 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 451022078 HCWUKLAQZWCEKB-MRXNPFEDSA-N 275.348 3.735 30 20 CHED C=CC(C)(C)CNC(=O)CSc1ccccc1Cl 452775321 HIOKCRHNNMCGQB-UHFFFAOYSA-N 283.824 3.761 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(SC)cc1OC 455275365 QKAQZNHBZWFEID-UHFFFAOYSA-N 280.393 3.505 30 20 CHED CC(C)(CCNC(=O)Nc1cccc(CC#N)c1)C1CC1 455911870 WURSFKHTCZKVHW-UHFFFAOYSA-N 285.391 3.700 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1cc(C)cc(C#N)c1 456003501 NMFFWYBCNPVFPJ-LBPRGKRZSA-N 273.380 3.767 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H](C(C)C)[C@@H]1C(C)C 456342273 PDLLCBGKXQHDCT-KBPBESRZSA-N 251.414 3.728 30 20 CHED C=C(CC)CNC(=O)c1cc(Cl)c(F)cc1Cl 456834130 GAKAYOSOTGEKNN-UHFFFAOYSA-N 276.138 3.829 30 20 CHED C=C[C@H]1CCCCN1c1cc(C)c([N+](=O)[O-])cc1F 461938580 YXGPJPYCKKRXOK-NSHDSACASA-N 264.300 3.587 30 20 CHED C=CCCN(C)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 466616448 DNAXRQLOPFPRBW-UHFFFAOYSA-N 298.333 3.792 30 20 CHED C=CCCN(C)C(=O)[C@H](CC1CCCC1)C(C)C 466637021 WFFDMNRBCBWGBT-OAHLLOKOSA-N 251.414 3.873 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 467930910 TXFOEWVACRMDMS-VIFPVBQESA-N 287.281 3.952 30 20 CHED C=C[C@@H](C)NC(=O)CCCc1cccc(C(F)(F)F)c1 472342389 IJUALSLFEJCJNQ-LLVKDONJSA-N 285.309 3.719 30 20 CHED Cc1cc(C(=O)NCc2cccc(C#N)c2)c(C)cc1Cl 474699912 XTIVYIDNKAPUDY-UHFFFAOYSA-N 298.773 3.759 30 20 CHED CCC[C@@H](NCc1cc(C#N)n(C)c1)C1CCCCC1 480385673 QRRIVWRVBIQGBL-QGZVFWFLSA-N 273.424 3.735 30 20 CHED C=CCn1c(S[C@H](C)CCC)nc2sccc2c1=O 481233123 MJSHKBZWWZEJHZ-SNVBAGLBSA-N 294.445 3.925 30 20 CHED CC(C)CN(C(=O)NCC#Cc1ccccc1)C1CCCC1 481317767 MSFYRGVOFVSIHS-UHFFFAOYSA-N 298.430 3.648 30 20 CHED C=CCCC1(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 483117334 GQEASXZRVHPDQW-UHFFFAOYSA-N 288.347 3.897 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(Cl)cc1F 483163304 ALZQULFQZBQECC-NSHDSACASA-N 299.773 3.671 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)s1)C[C@@H](C)O2 484740293 RSJIIIFRWJNDFI-GFCCVEGCSA-N 284.384 3.716 30 20 CHED C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 488735323 OTFFCWFFXYTBKB-PBHICJAKSA-N 280.371 3.507 30 20 CHED C=CCn1cccc1C(=O)N[C@H](CC)c1cccs1 488971595 DNDMADHENQKDAZ-GFCCVEGCSA-N 274.389 3.617 30 20 CHED C#CCN(C(=S)Nc1c(C)cc(C)cc1Cl)C1CC1 491621154 HXYOFDYVNAUNIG-UHFFFAOYSA-N 292.835 3.751 30 20 CHED CC[C@H](CC(=O)N(C)CC(C)(C)C#N)c1ccc(C)cc1 497356559 ANUDLGXPPUQIGL-OAHLLOKOSA-N 286.419 3.887 30 20 CHED C=C(C)CCN1CCC(F)(c2cccc(OC)c2)CC1 500165351 VPRBNZSCFZPJGB-UHFFFAOYSA-N 277.383 3.922 30 20 CHED C=C(C)CCSc1nc2ccccc2c(=O)n1CCC 505448855 GNGOIRWNWWFKLR-UHFFFAOYSA-N 288.416 3.865 30 20 CHED C=C(C)CN(CC)Cc1cc(Br)cs1 505886567 HWYHSKORCROCQN-UHFFFAOYSA-N 274.227 3.909 30 20 CHED CC(C)(C)c1cc2c(NCC3(C#N)CC3)ncnc2s1 519749852 GUJZRJYZYHDENQ-UHFFFAOYSA-N 286.404 3.704 30 20 CHED C[C@@H]1CCN(C(=O)c2sccc2C#N)[C@H]2CCCC[C@H]21 522681509 DYLCOXNSRJPYCP-XBFCOCLRSA-N 288.416 3.661 30 20 CHED CN(CCNc1cc(Cl)ccc1C#N)c1ccccc1 522934033 NBAUMNKXBBRUAZ-UHFFFAOYSA-N 285.778 3.760 30 20 CHED C=CCCCNc1ccc(C(=O)N[C@@H](C)CC)cc1C 525358496 WTGBHYQONBJYRQ-AWEZNQCLSA-N 274.408 3.901 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)C(C)C)cc1 529520058 YGKFGLRVFNIZTC-UHFFFAOYSA-N 286.375 3.794 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 532334434 DHYIFJSUJYLMBW-SWLSCSKDSA-N 273.376 3.788 30 20 CHED Clc1cccc(C#CCN2CCc3sccc3C2)c1 533450348 NVQVWOBTJWPMOQ-UHFFFAOYSA-N 287.815 3.811 30 20 CHED Clc1ccc(C#CCN2CCc3ccsc3C2)cc1 535575902 LPKGHAJQJPMKLM-UHFFFAOYSA-N 287.815 3.811 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(F)c(F)c(F)c1 537252716 GIINACVUIWRDQI-SECBINFHSA-N 286.297 3.970 30 20 CHED N#Cc1ccc2[nH]c(=NCCCc3cccs3)ccc2c1 537877682 GFJLEQMXSZKZKV-UHFFFAOYSA-N 293.395 3.635 30 20 CHED C=CCCOCCN[C@@H](CC1CC1)c1ccccc1 537949742 SWAQQLPDEMFIEL-KRWDZBQOSA-N 259.393 3.710 30 20 CHED C=C(CC)CSc1nnc(Cc2cccc(OC)c2)o1 540216098 ZQYMFBJZKSRBRR-UHFFFAOYSA-N 290.388 3.727 30 20 CHED C=C(CC)CN1CCN(CC(=C)CC)[C@@H](CCC)C1 540217098 JGNSFDJLUXQMGY-KRWDZBQOSA-N 264.457 3.705 30 20 CHED CCOC(=O)[C@@H](CC(C)C)Sc1ccccc1C#N 542002108 IAVLMOIACROGKM-CQSZACIVSA-N 277.389 3.628 30 20 CHED C=CCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 543052857 VKWNUGOQUWGIDB-MRXNPFEDSA-N 272.779 3.794 30 20 CHED Cc1c(Cl)cnc(N(C)Cc2ccccc2F)c1C#N 543136199 ZEUXSKLWXUZWNA-UHFFFAOYSA-N 289.741 3.691 30 20 CHED CC(C)c1ccc(CCN2CCC(CC#N)CC2)cc1 547423857 XHDGMJRARRSUBT-UHFFFAOYSA-N 270.420 3.978 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1cccc2cc[nH]c12 547851452 IUMSDVBWAWIXLS-UHFFFAOYSA-N 298.390 3.962 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(C(C)(C)C)c2O)C1 548152772 YEDUHSXBCBPSDM-UHFFFAOYSA-N 286.375 3.568 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(CC(F)(F)F)CC1 551384143 KPIGSIHVUACMAN-UHFFFAOYSA-N 289.341 3.946 30 20 CHED CC(C)N(CCC#N)C(=O)CCCCC(C)(C)C 553238673 FTLUFZQKWQUUFL-UHFFFAOYSA-N 252.402 3.744 30 20 CHED N#Cc1[nH]c(=NCc2cc3ccccc3s2)ccc1Cl 553825233 NFYLMTIYKDVLKA-UHFFFAOYSA-N 299.786 3.855 30 20 CHED C=C(C)CCc1noc(Cc2cn(C)c3ccccc23)n1 556807210 WWTSJXAHPXKDFS-UHFFFAOYSA-N 281.359 3.661 30 20 CHED Cc1cccc(C(=O)N2CCc3ccc(C#N)cc32)c1Cl 563509860 URRCTBOPVBHDQB-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCc2c1ccc(OC)c2F 564153808 WRTYHJITYLAQKT-BXUZGUMPSA-N 263.356 3.766 30 20 CHED C=CCC[C@@H](NCCCN1CCCCC1)c1ccco1 565133475 DIWNRRFPWIFYMN-MRXNPFEDSA-N 276.424 3.753 30 20 CHED C[C@H]1C[C@H](CCN[C@@H]2CCc3ccc(C#N)cc32)C[C@@H](C)O1 568451198 MXVNWCUQGQTXCU-NXEZDXNNSA-N 298.430 3.729 30 20 CHED C=CCn1c(-c2ccccc2F)nnc1N(CC)C(C)C 568816411 KEEPPPQZRXPEST-UHFFFAOYSA-N 288.370 3.505 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1nc(C)c(C#N)cc1Cl)CO2 570375134 ZZORRBKNEWETGD-AWEZNQCLSA-N 299.761 3.769 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(OC(F)F)cc2)no1 570853219 NRJQAYTWRRQNMT-AWEZNQCLSA-N 293.273 3.529 30 20 CHED C=CCCCCN1Cc2ccccc2C[C@H]1c1nnc(C)o1 573196216 HYEXSYSGWXEKNM-KRWDZBQOSA-N 297.402 3.834 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 574939431 PLGNQSGWVRSIQI-NSHDSACASA-N 290.363 3.587 30 20 CHED CC(C)CC(C)(C)CNC(=O)CCCCCC#N 588160604 CTAGGXIOHBTUAM-UHFFFAOYSA-N 252.402 3.649 30 20 CHED N#CCCCCCC(=O)NCCc1cc2ccccc2o1 588378472 UJICYAZCZJUMHT-UHFFFAOYSA-N 284.359 3.566 30 20 CHED CC(=NOCc1ccc(CO)cc1)c1cc2ccccc2o1 588397760 LNMRWJZDSZVAGJ-UHFFFAOYSA-N 295.338 3.866 30 20 CHED COc1ccccc1C(C)(C)NC(=O)CCCCCC#N 588920443 ACMWVBWWLHOFJK-UHFFFAOYSA-N 288.391 3.521 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1ccc(C(F)F)nc1 595006006 DGQJTTUWPONFLB-NSHDSACASA-N 287.313 3.742 30 20 CHED Cc1ccsc1[C@@H](C)NCCc1ccc(C#N)cc1 595057821 XMZMXRXYUJIZFS-CYBMUJFWSA-N 270.401 3.822 30 20 CHED C[C@@H](C#N)N(CCCc1ccccc1Cl)C1CC1 595710904 WICZDKWPNHRQSH-LBPRGKRZSA-N 262.784 3.649 30 20 CHED Cc1cc(CS[C@@H](C)c2cccc(C#N)c2)nc(C)n1 596356292 KXIXEAOGNQXFHI-LBPRGKRZSA-N 283.400 3.960 30 20 CHED COc1cccc(CSCCCC#N)c1Cl 596380683 LGDKDJKCPJKCMC-UHFFFAOYSA-N 255.770 3.886 30 20 CHED C[C@H]1C[C@@H](NC(=O)CC2(C#N)CCCCC2)CC[C@H]1C 597500597 MGDPRUBBMZZVLD-ILXRZTDVSA-N 276.424 3.791 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)SCCCC)C1 597998131 MEJVQUMTZNUITH-KGLIPLIRSA-N 269.454 3.723 30 20 CHED C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)C(F)(F)[C@H](C)C1 599060791 ZHVTUQBKYSGSML-JHJVBQTASA-N 278.346 3.842 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@@](C)(C#N)C(C)C 599245909 WDFCFDBQTWFPCB-SFHVURJKSA-N 296.370 3.923 30 20 CHED COc1ccc(CNc2cc(F)cc(C#N)c2)cc1Cl 600856690 QCDRJGYGIWXNBG-UHFFFAOYSA-N 290.725 3.971 30 20 CHED COc1cc(COc2ccc(C#N)cc2F)ccc1C 600860728 HNKVMUUAEQVURY-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CCn1c(S[C@H](C#N)C2CC2)nnc1-c1cccc(C)c1 601072689 PLDXMDICICJUIM-CQSZACIVSA-N 298.415 3.668 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1CCC=CCC1 602091009 GWZXOWCUBHAADH-UHFFFAOYSA-N 262.397 3.521 30 20 CHED C[C@H](CCC#N)CNCc1csc(-c2ccccc2)n1 602531296 BWFQESKUTDBYFQ-CYBMUJFWSA-N 285.416 3.840 30 20 CHED C[C@H](CCC#N)CN[C@H](C[C@H]1CCOC1)c1ccccc1 602582995 SZLXJGHFQRAALV-JFIYKMOQSA-N 286.419 3.684 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CCCC(C)(C)C1 602679855 AVPUFRJUVGUNOY-CVEARBPZSA-N 292.467 3.891 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CC=CCC1 606974764 XGQQVRUQJVQKCQ-HNNXBMFYSA-N 264.413 3.731 30 20 CHED Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2F)cc1C 609216317 KVCMIXADFDMLLM-UHFFFAOYSA-N 282.318 3.591 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(C#N)c1)CC2 609289184 KMCUVFYFWQTEAX-KRWDZBQOSA-N 291.354 3.676 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N[C@H](C#N)CC(C)C 609627355 CFMZFINLSBUSTL-GJZGRUSLSA-N 264.413 3.647 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(N(C)C)c1 610392388 UYZPVJNZXKDHGI-UHFFFAOYSA-N 287.451 3.904 30 20 CHED N#Cc1cccc(Cl)c1N[C@@H]1CCC(F)(F)C1 610785936 GSBMFYZQTSFVJB-SECBINFHSA-N 256.683 3.811 30 20 CHED CCCc1cccc(CN2CCC[C@](C)(C#N)C2)c1 614247805 BTPIFLJERQJUTD-QGZVFWFLSA-N 256.393 3.765 30 20 CHED C=CCC1(NC(=O)C[C@@H](C)C2CCCCC2)CCOCC1 618247451 XPAJOXHFRBJNSQ-OAHLLOKOSA-N 293.451 3.834 30 20 CHED C[C@@H](C[C@@H]1CCOC1)Nc1ccc(C(F)(F)F)c(C#N)c1 618579357 RRBBSQHTDGAKJB-QWRGUYRKSA-N 298.308 3.804 30 20 CHED C=C[C@@H]1CCCCN1c1nc(C(C)(C)C)ccc1C#N 618687080 FWYVKFYJXISQTA-CQSZACIVSA-N 269.392 3.796 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(F)cc1F 622874330 OOBXEQJOPXUUBX-LLVKDONJSA-N 299.386 3.870 30 20 CHED C=C(C)CCc1noc([C@@H]2[C@@H]3Cc4ccccc4[C@H]32)n1 624606966 AXPRJYMOMVZBHG-FVQBIDKESA-N 266.344 3.632 30 20 CHED C=CC(C)(C)C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 633731279 OMIIIXVYIRISNU-UHFFFAOYSA-N 297.320 3.802 30 20 CHED C=CC[C@@H]1CCCN(Cc2cccc(C(=O)O)c2Cl)C1 656760149 PPEYJOCVOVAXRZ-GFCCVEGCSA-N 293.794 3.826 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC1(CCOC)CCC1 657906585 VEGGYLWBZYUXET-CVEARBPZSA-N 265.441 3.918 30 20 CHED C=C(C)CN1CC[C@@H]1c1ccc(Br)cc1 662102510 WRIPJPJUJFUFSS-CYBMUJFWSA-N 266.182 3.772 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H]1CCc2ccc(C)cc21 683831668 BQQRVARDDWWLRH-RDJZCZTQSA-N 284.403 3.732 30 20 CHED C=CCNC(=O)[C@@H](C)Nc1ccc(CCCCC)cc1 685031227 YUOVFEHKRWEXEQ-CQSZACIVSA-N 274.408 3.522 30 20 CHED N#Cc1ccc(CSc2nc3cnccc3s2)cc1 702996514 MRQHWAVGARJOND-UHFFFAOYSA-N 283.381 3.855 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCC2(CCCCC2)O1 709983136 VGXRTTGZOXNFKN-GJZGRUSLSA-N 278.440 3.786 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](C)C[C@@H](C)C1 723790691 XMNGXKLKTWSHPI-ZIAGYGMSSA-N 256.393 3.735 30 20 CHED C[C@H](C=NNCCCc1ccccc1)c1ccccc1 729146441 XHYNWKQILDWJGB-MRXNPFEDSA-N 266.388 3.998 30 20 CHED COc1cccc(O)c1C=Nc1cc(F)c(F)cc1F 729150497 VYNCXVOGJFIANQ-UHFFFAOYSA-N 281.233 3.569 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1csc(C(=O)O)c1 730148864 NVQHJQZUMQKVPA-HWKANZROSA-N 290.315 3.790 30 20 CHED C#CCN(CCCCCn1cc(C)cn1)C1CCCCC1 732199318 IGYNKZOYFOXLEA-UHFFFAOYSA-N 287.451 3.630 30 20 CHED CCCC[C@H]1CCCC1=NNc1nccnc1Cl 733079091 UFVVIHYWWJXGEZ-JTQLQIEISA-N 266.776 3.888 30 20 CHED N#Cc1ccc(COC(=O)c2cc3occc3s2)cc1 736897044 RBSXINXTOSYVFM-UHFFFAOYSA-N 283.308 3.723 30 20 CHED COCc1ccc(C=NNc2cccc3cnccc23)cc1 741764343 FZLPWLHLUDRROJ-UHFFFAOYSA-N 291.354 3.827 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)n1 741766411 LHHHNGRSECGPSI-KKOKHZNYSA-N 290.798 3.662 30 20 CHED COc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1C#N 741844667 RQKLNOJFJRWMFN-OVCLIPMQSA-N 289.334 3.698 30 20 CHED CCCCCC[C@@H](C)NN=C1CCN(CC)C[C@H]1C 743450191 HGUKKBNHZJDWHV-HUUCEWRRSA-N 267.461 3.653 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(OCC#N)cc1 743450574 NBNFQPZCXNJKOD-HNNXBMFYSA-N 287.407 3.871 30 20 CHED CCC(=NNc1cc(C)ccc1C)C1CCOCC1 745198464 QWVVCNGYUJTABB-UHFFFAOYSA-N 260.381 3.908 30 20 CHED CC(=NOCc1ccc(C(C)(C)C)cc1)c1cnn(C)c1 746330815 MYBSZIRFRQBUOP-UHFFFAOYSA-N 285.391 3.658 30 20 CHED Cc1ccccc1[C@H](NC(=O)C#Cc1ccccc1)C1CC1 747390593 VOMZWHHPKKNGIF-HXUWFJFHSA-N 289.378 3.614 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)N(CCC#N)CC(C)C 747825826 HNJXFUZVUXOSON-UONOGXRCSA-N 290.432 3.558 30 20 CHED N#Cc1csc(C=NNc2nccc3sccc23)c1 748076659 YDZLKBGEDCVTFA-UHFFFAOYSA-N 284.369 3.675 30 20 CHED C=CCCCC(=O)OCC(=O)c1cc(C)c(F)c(C)c1 748234542 UCXYOMFLKKBSRQ-UHFFFAOYSA-N 278.323 3.525 30 20 CHED CCCCCCCCOCC(=O)Nc1cc(C)ns1 748412252 OKEDDQDJEOIKJY-UHFFFAOYSA-N 284.425 3.767 30 20 CHED C#CCN(CC)C(=O)Nc1c(CC)ccc(Cl)c1CC 749225860 OUFGRTDLOIOYMG-UHFFFAOYSA-N 292.810 3.952 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)Cc2c(F)ccc(F)c21 749582866 PYVMQQOZZOAOEK-WQLSENKSSA-N 298.288 3.722 30 20 CHED CC1(C)CCCC1=NNC(=S)Nc1ccccc1F 749857487 DZSUIZPZTGECAJ-UHFFFAOYSA-N 279.384 3.678 30 20 CHED CC(C)=C(C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 751377818 KXGUPSCZRYMCET-CYBMUJFWSA-N 296.292 3.743 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3cc(F)cc(F)c3)ccc21 751537096 ZYMXZVCUBUFYQG-HYXAFXHYSA-N 299.320 3.853 30 20 CHED N#CCCCCOC(=O)/C=C\c1nc2ccccc2s1 752627298 NFPUKIQPJDTJJM-HJWRWDBZSA-N 286.356 3.547 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1cc(O)cc(O)c1 753717006 OCJZKOCUTVAPPQ-WAYWQWQTSA-N 291.306 3.542 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(Cl)n2)ccc1Cl 754321983 YTMRYOUDCPXXQN-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H]2C[C@@H]2c2ccccc2)o1 755675535 YQXJABPMFNRZBV-ZIAGYGMSSA-N 294.358 3.871 30 20 CHED C#Cc1cccc(N(C(=O)C[C@@H](OCC)C(=C)C)C(C)C)c1 755895870 MJPIBCBVNHIVBN-GOSISDBHSA-N 299.414 3.781 30 20 CHED C#CC[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 756952786 BDERIXSGCQUZNW-MRXNPFEDSA-N 266.300 3.771 30 20 CHED Cc1oc2ccccc2c1C=NNc1ccccn1 758094936 HMHLBKZGICQDAB-UHFFFAOYSA-N 251.289 3.582 30 20 CHED CC[C@H]1CCCC1=NNC(=S)Nc1ccccc1F 758362196 QOJJYVPJMBJVMH-JTQLQIEISA-N 279.384 3.678 30 20 CHED C=C(C)COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 758672814 CQQQFXIKYLPJGC-UHFFFAOYSA-N 295.338 3.672 30 20 CHED C#CCCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C 759156983 OFXUOBZSJZAJSZ-LPHOPBHVSA-N 283.415 3.866 30 20 CHED C#CCCCC(=O)OCc1ccc(C(F)(F)F)cc1 759173809 QDIHRIPCHKSEEO-UHFFFAOYSA-N 270.250 3.552 30 20 CHED COc1ccc(/C=C2/Cc3c(OC)cccc3C2=O)cc1F 759665504 PGSXRWFKTZWIBU-WQLSENKSSA-N 298.313 3.665 30 20 CHED C=CCOCC(=O)Oc1cc(Cl)c(Cl)cc1CC 759968021 SPKNLKUAJKEONG-UHFFFAOYSA-N 289.158 3.664 30 20 CHED C#CCCCCc1nc(Cc2cccc(F)c2Cl)no1 762130260 GOPOPDAKNRFFNJ-UHFFFAOYSA-N 292.741 3.799 30 20 CHED CCCCCCCCC(=O)Nc1cc(CC#N)ccn1 763915354 QRNBYJKDOBDUAZ-UHFFFAOYSA-N 273.380 3.837 30 20 CHED CC(CCCC(C)C)=NNc1ccc(Cl)nn1 764658011 KUAUPQCVVQJKOX-UHFFFAOYSA-N 254.765 3.744 30 20 CHED CSc1cc(C(=O)Oc2ccc(C#N)cc2)ccc1F 766283586 BPQTWISWZPRWFI-UHFFFAOYSA-N 287.315 3.638 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NOCc1cccnc1 766718056 XUHBPXAAPIMGKO-ZDUSSCGKSA-N 266.344 3.818 30 20 CHED N#CC1(CSC2=Nc3ccccc3CS2)CC1 766774794 AOKJCROQUHDQEO-UHFFFAOYSA-N 260.387 3.958 30 20 CHED C#CCCCOC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 766875279 MRIXSDPDSOCTLV-AWEZNQCLSA-N 296.366 3.909 30 20 CHED CCCCCCCN1CC(c2nc3ccccc3[nH]2)C1 766930924 ATWRGFKALWAVIJ-UHFFFAOYSA-N 271.408 3.933 30 20 CHED C#CCC(C)(C)C(=O)NCC(C)(C)CCCCC 767091280 GOXASUXNKDIANH-UHFFFAOYSA-N 251.414 3.759 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C1CCCCCCC1 767155916 GTSDVYHAQQFKIC-UHFFFAOYSA-N 289.341 3.761 30 20 CHED C=CCOCC(=O)OCc1ccc(-c2ccsc2)cc1 768694789 AQPNIXVZYGLMDC-UHFFFAOYSA-N 288.368 3.661 30 20 CHED CC(C)(C#N)CCCCOC(=O)CC[C@H]1CCCCO1 768696462 KCXLLDWWBDVDRG-CQSZACIVSA-N 281.396 3.599 30 20 CHED C[C@H](CCC1CC1)NC(=O)c1ccccc1SCC#N 769401180 JQJXXKGHPAZYGH-GFCCVEGCSA-N 288.416 3.611 30 20 CHED CCC[C@H](C=NNc1ccnc(N(C)C)n1)c1ccccc1 769584304 GXSIPNVVJNIOIV-OAHLLOKOSA-N 297.406 3.524 30 20 CHED Cc1cc(/C=C/C(=O)c2sccc2O)ccc1F 773142992 KVPUQONVCCYIHJ-HWKANZROSA-N 262.305 3.797 30 20 CHED C=C(CC)COC(=O)[C@H](C)CC(=O)c1cccc(F)c1 773522859 MHHFXXYYPKBILS-GFCCVEGCSA-N 278.323 3.544 30 20 CHED N#Cc1cccc(COC(=O)/C=C\c2ccsc2)c1F 774894328 LOPXRXYAOVMONO-PLNGDYQASA-N 287.315 3.515 30 20 CHED Cc1nc(C2CCCCC2)sc1C(=O)O[C@H](C)C#N 775120080 SDMPBJQBCVJXBC-SECBINFHSA-N 278.377 3.568 30 20 CHED O=C(/C=C\c1ccc(F)cc1Cl)c1cscn1 776190552 AGPZJOJKEOFNHA-RQOWECAXSA-N 267.712 3.832 30 20 CHED O=C(/C=C\c1csc(-c2ccccn2)n1)c1cncs1 776433626 HXSMSGBKCPYVNX-PLNGDYQASA-N 299.380 3.558 30 20 CHED CC[C@H](C)Oc1cc(C/N=C\c2ccccc2O)ccn1 776725404 LYJSVBNWTABTMW-CYUIRQCWSA-N 284.359 3.584 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)Cc1ccccc1CC#N 776937475 KQFYUCWBCFAKCH-MAUKXSAKSA-N 298.430 3.722 30 20 CHED C=CCSc1ccccc1C(=O)OCCCCC#N 777076003 MOOLYMNXHLOCSG-UHFFFAOYSA-N 275.373 3.815 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)c1)c1nc(C2CC2)cs1 781176854 TVZFQGKTUAXFEA-SNVBAGLBSA-N 298.367 3.810 30 20 CHED C[C@@H](OC(=O)c1ccc(Cl)nc1)c1cccc(C#N)c1 782007455 UIBFTCVAWXCMPN-SNVBAGLBSA-N 286.718 3.525 30 20 CHED CCOc1c(Cl)cccc1C=NO[C@@H]1CCCCO1 782253923 JWNHSGWUWWMYNA-CYBMUJFWSA-N 283.755 3.616 30 20 CHED CC1(C)CCC[C@H]1NN=C1CCC2(CCCO2)CC1 782285711 FTJFNHMFANOAPR-IURRXHLWSA-N 264.413 3.634 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1cc(C)ccc1C 782442166 HHRXDJZALIAHLR-KRWDZBQOSA-N 276.376 3.575 30 20 CHED C[C@H](OC(=O)CCc1ccc(O)cc1)c1cccc(C#N)c1 783083066 IDRGTWYFKDNCIB-ZDUSSCGKSA-N 295.338 3.501 30 20 CHED C=CCCCCCOC(=O)[C@H]1CCOc2ccccc21 783443125 ZFBHPVSMBMEAOR-HNNXBMFYSA-N 274.360 3.842 30 20 CHED N#Cc1ccc(CSc2ccc(Cl)nn2)c(Cl)c1 783984588 NEFQJKPIESZBDN-UHFFFAOYSA-N 296.182 3.947 30 20 CHED Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)sn1 785457401 LPZJGQWXUPSGEZ-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C=C(CC)COC(=O)C1(Cc2ccccc2F)CC1 785814861 RDQQYOGWGZRXNT-UHFFFAOYSA-N 262.324 3.658 30 20 CHED C=C(Cl)COC(=O)[C@H](CC)Sc1ccccc1 785919697 VUWHBHYLCWSPHA-LBPRGKRZSA-N 270.781 3.853 30 20 CHED CC(C)CCCOC(=O)c1cc(-c2cccc(C#N)c2)no1 789124758 PFWCDCFKHBGPOQ-UHFFFAOYSA-N 298.342 3.806 30 20 CHED C=C(Cl)COC(=O)c1scc(C)c1Cl 791595326 NXFZABZYSXSINO-UHFFFAOYSA-N 251.134 3.619 30 20 CHED CC[C@H](C)CC(=O)[C@@H](C#N)c1ccc2ccccc2n1 791766237 XUOQYPLJGQEYMZ-JSGCOSHPSA-N 266.344 3.847 30 20 CHED C=C(Cl)CNC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 792598000 DEKWEAKXVDURKS-WCQYABFASA-N 277.795 3.845 30 20 CHED C(=NNc1nncc2ccccc12)c1ccc2occc2c1 794860677 WCKRHGNRDYYXFG-UHFFFAOYSA-N 288.310 3.822 30 20 CHED COc1ccc(/C=C2\CCc3ccc(O)cc3C2=O)cc1F 794960923 ZAVGCOIQKVHISM-MDWZMJQESA-N 298.313 3.752 30 20 CHED Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc(Cl)n1 797604036 FBYZOTQMCLETAC-MRXNPFEDSA-N 297.789 3.692 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cn(C(C)C)nc1C 798369706 OYKAKPGXWLQARL-BQYQJAHWSA-N 298.386 3.986 30 20 CHED Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1C#N 799299892 QAUICZKAHQSWDI-SFHVURJKSA-N 290.366 3.748 30 20 CHED Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1C#N 799312103 PKLNRVXLJAJUDB-UHFFFAOYSA-N 294.354 3.906 30 20 CHED C/C(C=NNC[C@H](C)C#N)=C/c1ccccc1C(F)(F)F 799883239 VIGKIRBLZDKYIE-QCFKRXPLSA-N 295.308 3.844 30 20 CHED CCCCCCCCN[C@H]1CCC12CCOCC2 800480105 QRQFTGGFAYOPOV-HNNXBMFYSA-N 253.430 3.896 30 20 CHED C[C@@H](c1cccs1)[S@@](=O)Cc1ccccc1C#N 802758161 JEFPKJXOPMNOST-VOJFVSQTSA-N 275.398 3.630 30 20 CHED CC#CC(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 803612191 NGNWSPAWXHBVDA-HZPDHXFCSA-N 289.806 3.896 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)CCc1ccccc1F)C(C)(C)C 807881397 JGOHCXUGAAMYTR-CZUORRHYSA-N 289.394 3.559 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(C)c(OC)cc1Cl 808900461 OMRGPKMGQTYEQZ-LLVKDONJSA-N 294.782 3.580 30 20 CHED C#Cc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 809776960 WMNSOSBQEMZAON-SFHVURJKSA-N 299.801 3.535 30 20 CHED C#CCN(C(=O)c1ccc(C2CCCC2)cc1)C1CC1 811078360 QKZBQDXCODIZIN-UHFFFAOYSA-N 267.372 3.582 30 20 CHED CN(Cc1ccccc1)CC(C)(C)C=NOC/C=C\Cl 811671866 LRENOIMTYLRJMZ-OIAJVEJOSA-N 294.826 3.900 30 20 CHED C/C(C=NOC/C=C\Cl)=C\c1cccc([N+](=O)[O-])c1 811672284 VNRLOFYXJSJZDA-IPJYJJQVSA-N 280.711 3.753 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)Oc2cccc(Cl)c21 811699479 RTZDULKTEXCIBM-NTUHNPAUSA-N 290.677 3.801 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(F)cc2F)c(C(F)F)n1 812242275 UODDRPLVBYDKAR-DJWKRKHSSA-N 298.239 3.532 30 20 CHED Cc1cn2c(C=NNc3ccccc3F)c(C)nc2s1 812460406 RHQFZHPILMAMQY-UHFFFAOYSA-N 288.351 3.598 30 20 CHED Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc(F)cc1F 812491750 CTEGZOCCHCHSGR-WAYWQWQTSA-N 296.704 3.556 30 20 CHED CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NOCC1CC1 814243095 FHOSYYDWYBPRHO-CQSZACIVSA-N 296.411 3.579 30 20 CHED CC(C)(C=NOC1CCCCC1)NC(=O)OC(C)(C)C 814908976 DKGRTZURVWSVAH-UHFFFAOYSA-N 284.400 3.625 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1cccnc1Cl 814917257 JEFSRTAOYXRZAJ-GFCCVEGCSA-N 265.788 3.627 30 20 CHED CCOc1ccc(NN=C(C)c2cccc([N+](=O)[O-])c2)cc1 814985215 XGVNEHIFBUWSGR-UHFFFAOYSA-N 299.330 3.830 30 20 CHED C=CCC(F)(F)C(=O)N(C1CCCCC1)C1CC1 815097759 PQZHMTJZELSQRN-UHFFFAOYSA-N 257.324 3.522 30 20 CHED C=CCCCCCCCNC(=O)[C@@H](C)C(C)(F)F 816746672 JWYRUMAHFXGZPL-GFCCVEGCSA-N 261.356 3.921 30 20 CHED C#Cc1cnc(N2CCC[C@H]2c2ccc(C(C)C)cc2)nc1 827829814 PQVJUODAOCFSQR-SFHVURJKSA-N 291.398 3.923 30 20 CHED Cc1sc(C(=O)O)cc1CSc1ccccc1C#N 833030840 CXBXRZOWWCJQRW-UHFFFAOYSA-N 289.381 3.919 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)c1ccsc1 834673735 UAZKZGWLFLWACX-HNNXBMFYSA-N 274.364 4.000 30 20 CHED C=C(C)CCN[C@@H](C)c1nc(Br)cs1 834882100 FPDODICPFHJLEV-QMMMGPOBSA-N 275.215 3.522 30 20 CHED Cc1cc(C=NNCc2ccccc2F)c(C)n1C1CC1 835012444 XYXOZYGZIPXJQE-UHFFFAOYSA-N 285.366 3.703 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 835035259 FFWSUBRIXKTRAE-JHJVBQTASA-N 281.359 3.565 30 20 CHED N#Cc1csc(C(=O)OC[C@H]2CCCCC2(F)F)c1 835637184 GVENNXRGASBSPK-SNVBAGLBSA-N 285.315 3.602 30 20 CHED C#CCCCCNC(=O)Nc1cccc(-c2ncco2)c1C 836636481 HXZPGNLJCQCMDR-UHFFFAOYSA-N 297.358 3.575 30 20 CHED CCN(Cc1ccc(Cl)s1)C(=O)C#CC(C)(C)C 837325672 HYJJTBMZVUXDPG-UHFFFAOYSA-N 283.824 3.800 30 20 CHED O=C(C#CC1CC1)Nc1ccccc1CCC(F)(F)F 837461588 HAHNBULSPIGFAQ-UHFFFAOYSA-N 281.277 3.533 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)C1CCC1 838782373 KUGZDGJTHYYUEC-SWLSCSKDSA-N 278.355 3.847 30 20 CHED N#CC1(C(=O)Nc2cc(Cl)cnc2Cl)CCCCC1 839400662 GJLBFUIECJJIIN-UHFFFAOYSA-N 298.173 3.801 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@@H]1CCCSC1 839437060 LMDBEKGMEIGFMW-CQSZACIVSA-N 296.395 3.793 30 20 CHED CCCCCCO[C@@H](C)C(=O)Nc1cccc(CC#N)c1 839788897 QCLICRJNOZNVJL-AWEZNQCLSA-N 288.391 3.677 30 20 CHED C=C(C)CCNC(=S)Nc1cccc(C(F)(F)F)c1 840793551 TXTVXEQQLDDKIS-UHFFFAOYSA-N 288.338 3.958 30 20 CHED CCCCC[C@H](C(=O)NCC1(C#N)CCC1)C(C)C 841467189 OFVYVRIGENDMEB-AWEZNQCLSA-N 264.413 3.649 30 20 CHED C[C@H](C#N)OCCSCCC1(C#N)CCCCC1 842183857 PBMWALOYJXEPFL-CYBMUJFWSA-N 266.410 3.512 30 20 CHED CC(=NNc1ncccc1C)[C@H]1C[C@H]2C=C[C@H]1CC2 842531186 HOXCVCRYCIEIQD-SOUVJXGZSA-N 255.365 3.780 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)[C@@H]1CCC(C)=C(C)C1 842770843 CFMQTRGWHDNROZ-WBVHZDCISA-N 280.408 3.895 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1ccnn1C(C)C)C2=O 848642373 GAEMEUINIJFKLU-GDNBJRDFSA-N 280.371 3.903 30 20 CHED Cc1cc(C)cc(NC(=N)NCC(C)(C)CCC#N)c1 849028994 TYTBBGWYVLVTQS-UHFFFAOYSA-N 272.396 3.570 30 20 CHED C=CC(C)(C)CCOC(=O)c1cnc([C@H](C)OCC)s1 851299637 SWOVWCQLLFGYDR-NSHDSACASA-N 297.420 4.000 30 20 CHED C=CC(C)(C)CCOC(=O)c1ncccc1OCCC 851299941 GGNNFWVAOLDNPK-UHFFFAOYSA-N 277.364 3.630 30 20 CHED CCCn1nccc1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 853007283 SWZGOUYRALDSDX-UHVIJJLKSA-N 292.382 3.993 30 20 CHED FC(F)(F)[C@@H]1CCC[C@H](C=NO[C@@H]2CCCCO2)C1 853326171 UWYYGUIPKYMISK-QJPTWQEYSA-N 279.302 3.884 30 20 CHED CC(=NN1CCCC[C@H]1C)c1ccc(C(F)F)nc1 853384221 IRZGKROUOZWVKW-SNVBAGLBSA-N 267.323 3.618 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)NCC1CCCCC1 853784098 YARAYFBPTISBQV-LLVKDONJSA-N 275.845 3.557 30 20 CHED Cc1cccc(-c2ccc([C@H]3NC(=O)C3(C)C)cc2)c1C#N 854172318 ZWNNECDRELNKRR-QGZVFWFLSA-N 290.366 3.731 30 20 CHED C=CC[C@H]1CCCCC1=NNc1ncc(Cl)cn1 857221196 SWZNVHOMTNRWIR-JTQLQIEISA-N 264.760 3.664 30 20 CHED CCCCCCCCC(=O)OCC(=O)N1CCC(C)CC1 866458924 SANFFJMXWGYUAD-UHFFFAOYSA-N 297.439 3.539 30 20 CHED C#CCCCCCCNc1cccc(CN2CCCC2=O)c1 876821548 HTIONKJCAYTUFZ-UHFFFAOYSA-N 298.430 3.805 30 20 CHED C=CC(C)(C)CC(=O)NCc1cc(C(CC)CC)no1 878970258 LYLCYLZTRCDFNM-UHFFFAOYSA-N 278.396 3.797 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 879019554 VPHKYCPPTIBOTK-CZUORRHYSA-N 257.377 3.808 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1ccc(F)c(F)c1 888386312 VRIINHOZFDLTRV-UHFFFAOYSA-N 253.292 3.530 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H]1CCCc2nc(C)sc21 888922772 IXLKVCMQSXMVNO-ZDUSSCGKSA-N 292.448 3.890 30 20 CHED C=C1CCC(C(=O)Nc2nc(C(C)(C)C)co2)CC1 892474066 BURYYOLZCNFPRP-UHFFFAOYSA-N 262.353 3.657 30 20 CHED N#C[C@@H]1CCCN(c2ccc(-c3ccccc3Cl)nn2)C1 895648251 COCHMJZORGORKJ-LBPRGKRZSA-N 298.777 3.537 30 20 CHED C=C[C@](C)(CC)c1nc(C2(CCOC)CCCC2)no1 896627974 PKHXFNNPXIYFIF-OAHLLOKOSA-N 278.396 3.772 30 20 CHED N#Cc1ccnc(CSc2ccc3c(c2)CCC3)c1 901412897 PTCGIDZXWRCXFE-UHFFFAOYSA-N 266.369 3.734 30 20 CHED CCCOc1ccc(/C=C2/CCn3ccnc3C2=O)c(C)c1 901533524 DSGLRKNCKWNUKL-QINSGFPZSA-N 296.370 3.650 30 20 CHED CC[C@H](NCc1ccc(N(C)C)cc1)c1cccc(C#N)c1 902727984 INRDUOULUDQANG-IBGZPJMESA-N 293.414 3.865 30 20 CHED CCO[C@H](c1noc(/C=C\c2ccccc2C#N)n1)C(C)C 904114902 FYFGKRYXMJJBCY-YDZSZYSISA-N 297.358 3.845 30 20 CHED C=C[C@H](CC)CC(=O)N(CCC#N)C(C)(C)CC 904678537 UTLGCXMPXSLOQD-CYBMUJFWSA-N 250.386 3.520 30 20 CHED CCc1ccccc1NN=Cc1cnn(-c2ccccc2)c1 915051906 YLTZCYBZEJKQEV-UHFFFAOYSA-N 290.370 3.881 30 20 CHED CCc1ccccc1NN=C(C)c1scnc1C 915111229 COEMUDLQOYCYES-UHFFFAOYSA-N 259.378 3.850 30 20 CHED CCCCCCCCn1nc(-c2cccs2)oc1=O 915794268 LSWGSSWLMMQASH-UHFFFAOYSA-N 280.393 3.925 30 20 CHED C=C(C)CNC(=S)NCC(C)(C)c1ccc(Cl)cc1 917602228 KERNLDHGOOEMSC-UHFFFAOYSA-N 296.867 3.658 30 20 CHED C=CCCOC(=O)c1cc2ccccc2cc1OC 919668001 VOACDJLGODURRL-UHFFFAOYSA-N 256.301 3.581 30 20 CHED COc1ccc(C(C)=NN[C@H](C)c2ccccc2)c(OC)c1 920385660 FLEJUDXCXSWNMG-CYBMUJFWSA-N 298.386 3.779 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2C[C@@H]2c2cccc(F)c2)c1 921261376 MWFMTXNHSBYDMB-QVDZNFLWSA-N 285.318 3.515 30 20 CHED C#CCCc1noc([C@H](C)Sc2ccc(F)cc2)n1 923883156 OLOVNCDJRGHNRC-JTQLQIEISA-N 276.336 3.628 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1cc(C2CC2)n(C)n1 927106812 FXKVBCROBARZLK-XJKSGUPXSA-N 273.424 3.522 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc2c(cc1Cl)OCCO2 929581501 JIXAIDIRCSWGII-SNVBAGLBSA-N 295.766 3.652 30 20 CHED C[C@@H](O)C[C@H]1CCCCCN1CCCCC1(C#N)CCC1 930455918 RTLZNGSUTMWAHY-IAGOWNOFSA-N 292.467 3.866 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc3ccc(Cl)cc3n2)C1 932149833 LLIGMWROCSRQLC-LBPRGKRZSA-N 285.778 3.624 30 20 CHED CC(C)(C)c1nsc(N[C@@H]2CCc3cc(C#N)ccc32)n1 1116832477 UNCZVMQFKOTLEA-CYBMUJFWSA-N 298.415 3.807 30 20 CHED N#Cc1ccnc(/C=C/c2cc(Cl)c3c(c2)OCCO3)c1 1116868789 NHCGCZHEGJHWIL-OWOJBTEDSA-N 298.729 3.548 30 20 CHED C=CCOCCCc1nnc([C@H](CC)c2ccccc2)o1 1117266477 MHSMSBFIRFBERZ-OAHLLOKOSA-N 286.375 3.747 30 20 CHED C=CCC(C)(C)c1noc(CC(C2CC2)C2CC2)n1 1117712188 CIJPXXCKVKYODV-UHFFFAOYSA-N 260.381 3.902 30 20 CHED C#CCSCC(=O)O[C@@H](C)c1sc(C(C)C)nc1C 1122657694 JWQSLNASHZGQGX-NSHDSACASA-N 297.445 3.546 30 20 CHED Cc1ccc(C(=O)NC[C@@H]2CCCC(C)(C)C2)cc1C#N 1129765099 BUBZLCJHKZDFFC-CQSZACIVSA-N 284.403 3.813 30 20 CHED N#Cc1cccc(Sc2nc3cccc(F)c3s2)n1 1163983786 KVYASKWSSVCVBY-UHFFFAOYSA-N 287.344 3.853 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NCc1cc(C#N)ccn1 1169368188 VIWDDHBJDCODHB-WBVHZDCISA-N 271.408 3.648 30 20 CHED CC(C)c1ccc(C[C@@H](C)N=c2cc[nH]cc2C#N)cc1 1185819713 OXXJBDYKKIUVGK-CQSZACIVSA-N 279.387 3.542 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)CC#Cc1ccccc1 1252951767 XRFVETDDOVMUFJ-SJORKVTESA-N 269.388 3.513 30 20 CHED CCCCCCCCC(=O)OCc1ccc2nn[nH]c2c1 1263289718 OKFOACGASQIWNJ-UHFFFAOYSA-N 289.379 3.752 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccsc1 1263640849 XTTJDZPFMFJOKN-LBPRGKRZSA-N 250.367 3.711 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1270342298 NBOOKHQCMXFMHL-IRXDYDNUSA-N 298.430 3.969 30 20 CHED CC1(C)CCN(C(=O)c2cccc(C#N)c2)CC(C)(C)C1 1278820167 ONIZGDUUFHVZLY-UHFFFAOYSA-N 284.403 3.847 30 20 CHED CC(=NOC(C)(C)C)c1cccc(OC(F)F)c1 1319685691 YCLQYFXOYFLJFS-UHFFFAOYSA-N 257.280 3.827 30 20 CHED N#CCc1cccc(NC[C@@H]2CCCc3ccccc32)n1 1320491668 VDDZKADBQQBOQL-HNNXBMFYSA-N 277.371 3.680 30 20 CHED C=CCCC[C@H](C)NC(=O)CCOc1ccccc1C 1320637150 KUPSKSMPUKTGNH-HNNXBMFYSA-N 275.392 3.625 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cccc(C(F)F)c2)C1 1321283529 ZODITQCTLVMGPN-RISCZKNCSA-N 264.319 3.796 30 20 CHED N#CCc1cccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 1321329334 VAPJPMROQAZLHG-NWDGAFQWSA-N 297.324 3.928 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)NCC1(C#N)CCC1 1325312802 HTBSLXUVRKKPJB-UHFFFAOYSA-N 291.782 3.772 30 20 CHED C=C(C)CCNC(=O)c1[nH]c2ccc(C)cc2c1Cl 1328167846 RXUOFUVWHCEQTP-UHFFFAOYSA-N 276.767 3.826 30 20 CHED CCCCCCCNC(=O)C1(c2cccc(C#N)c2)CC1 1330098804 KWYRZXUUJCZRAV-UHFFFAOYSA-N 284.403 3.676 30 20 CHED C=CC(C)(C)CC(=O)N(CC#N)c1ccc(F)cc1C 1332622387 LVLZPJWMCWRTIZ-UHFFFAOYSA-N 274.339 3.593 30 20 CHED C=C(C)CCC(=O)N1CCCc2cc(F)c(F)cc21 1336947214 VHKYCZVGGBVHDT-UHFFFAOYSA-N 265.303 3.600 30 20 CHED C=C(C)CCC(=O)NC[C@@H](c1ccccc1)C1CC1 1337239831 MKRGWEFBFIAJDH-INIZCTEOSA-N 257.377 3.653 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H](C)c1ccsc1 1339281376 PQLFBYXZVXEKRZ-OCCSQVGLSA-N 263.406 3.809 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H](C)c2ccccc2C)n1 1341725580 XCQALESHFFSBER-JSGCOSHPSA-N 284.384 3.740 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)O[C@@H](C)C(C)(C)C#N 1343028791 ZUIWRCOIBVZICJ-QWRGUYRKSA-N 295.379 3.788 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)C(F)=C1CCCC1 1343723860 KIUPQRKNHYCQNP-ZDUSSCGKSA-N 287.334 3.553 30 20 CHED CC#CCCCC(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1344368126 LNWCWOIEPBCROX-LLVKDONJSA-N 299.761 3.586 30 20 CHED C=C[C@](C)(CCOC)COC(=O)C1CCC(=C)CC1 1344726510 VXXJMRRNLAXJDR-MRXNPFEDSA-N 266.381 3.505 30 20 CHED CC(C)Cc1nnc(C[C@@H](CC#N)c2ccccc2)o1 1345561144 DXIJNJVOXLAYIA-CQSZACIVSA-N 269.348 3.508 30 20 CHED C=CC(C)(C)c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 1347935290 LITCRSQREMCRGK-UHFFFAOYSA-N 287.319 3.725 30 20 CHED C=C(CC)C(=O)Nc1cccc(C)c1Br 1351776938 WVXOKJYFWSWJTC-UHFFFAOYSA-N 268.154 3.662 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](CC#N)c1ccccc1 1435281451 XTAQVHBWEBYXIR-LZWOXQAQSA-N 272.392 3.625 30 20 CHED Cc1csc(NC(=O)c2cc3ccncc3s2)c1C#N 1436193400 VURNSBNRLIRLPD-UHFFFAOYSA-N 299.380 3.790 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 1516739797 MEMBJSXJBSBBQY-HOTGVXAUSA-N 291.366 3.518 30 20 CHED Cc1cc(C)c(NC(=O)c2ccc(C#N)o2)c(Cl)c1 1529764591 ORJIMDCGLTZXNZ-UHFFFAOYSA-N 274.707 3.674 30 20 CHED C=C(Br)CNCc1cccc(OC(C)(C)C)c1 1560321014 XQKHHAYPZXKFKB-UHFFFAOYSA-N 298.224 3.862 30 20 CHED C=CC1(CC(=O)OCc2ccc(C(=O)O)o2)CCCCC1 1588719477 ULCIOSCLNQQPBH-UHFFFAOYSA-N 292.331 3.548 30 20 CHED N#Cc1ccc(F)c(NC(=O)CCCc2cccs2)c1 1596928566 KNTNGOLRUCJSQE-UHFFFAOYSA-N 288.347 3.720 30 20 CHED COc1ccc(C(=O)O)cc1CSc1cccc(C#N)c1 1599499894 RBWKVWIQSPPLKU-UHFFFAOYSA-N 299.351 3.557 30 20 CHED N#Cc1cccc(Cl)c1SCc1cc(C(=O)O)co1 1601122010 COWNSJUSLAZFFG-UHFFFAOYSA-N 293.731 3.795 30 20 CHED C=CCCCCNc1cc(C(F)(F)F)c(C(=O)O)cn1 1602870776 UMGSPOAOMMEXGN-UHFFFAOYSA-N 288.269 3.567 30 20 CHED C=CCC[C@@H](C)OC(=O)c1cc(C(=O)O)ccc1Cl 1609324686 KLZAWZNDYYRFCY-SECBINFHSA-N 282.723 3.550 30 20 CHED Cc1ccc(SCc2cccc(C(=O)O)c2C#N)cc1 1610514935 VFXIWGZPSFIPIS-UHFFFAOYSA-N 283.352 3.857 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNc1snc(C)c1C#N 1612432662 MZYOXKMGVDXWDW-VXGBXAGGSA-N 263.410 3.952 30 20 CHED N#Cc1sccc1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 1627973635 OQNYNCDEPGDAHH-JSGCOSHPSA-N 288.416 3.566 30 20 CHED Cc1nc(N2CC[C@@H](C)C(C)(C)C2)c(Cl)cc1C#N 1639757229 FVQZBXJDLPDLBP-SNVBAGLBSA-N 277.799 3.788 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1c(C#N)cccc1C#N 1642275584 WGKVCYOHGXJCRZ-XUJVJEKNSA-N 253.349 3.667 30 20 CHED Cc1c(Cl)cnc(NC[C@@H]2C[C@H]2C(C)C)c1C#N 1642693680 RYMNGHMVHAGNJB-QWRGUYRKSA-N 263.772 3.619 30 20 CHED CN(CCOc1cccc(C#N)c1)C1CCCCCCC1 1652433476 YUQKLSXYFBPWGZ-UHFFFAOYSA-N 286.419 3.982 30 20 CHED N#Cc1cc(Cl)ccc1SC[C@H]1CCC[C@H](O)C1 1652691447 DBZXNYKZKPGMHY-GWCFXTLKSA-N 281.808 3.855 30 20 CHED C[C@H](CCNC(=O)Nc1sccc1C#N)c1ccccc1 1673282910 OHLRNSYWAUPOAH-GFCCVEGCSA-N 299.399 3.935 30 20 CHED Cc1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)s1 1777433863 FHAYJORHOQUGRP-ONEGZZNKSA-N 278.354 3.712 30 20 CHED N#Cc1c(F)cccc1NCCOc1ccc(Cl)cc1 26227178 ALYKVCYNPPOJHL-UHFFFAOYSA-N 290.725 3.842 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCN(c2ccccc2)C1 29624575 CYHWHHKNVLZUMU-CQSZACIVSA-N 295.361 3.636 30 20 CHED N#Cc1cccc(CNc2cc(Cl)ccc2F)c1 35083773 QDAFMLMYCRBCNS-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 37748253 ZYCBFPVZPVMYMW-CQSZACIVSA-N 250.345 3.718 30 20 CHED N#Cc1ccc(CN[C@H]2CSCc3ccccc32)cc1 37748491 ALKXHILLRQEKCJ-KRWDZBQOSA-N 280.396 3.636 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cc(C)sc2C)n1 41518783 ANNZSJDZZSCYTJ-LLVKDONJSA-N 276.386 3.620 30 20 CHED CCc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)s1 41543835 PXEYNTMESBSKDF-NSHDSACASA-N 296.351 3.942 30 20 CHED CCO[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 42425034 YNSORVUEAWWMCC-CYBMUJFWSA-N 298.308 3.582 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)c1ccccc1 47740208 AELBLHZJICCQTK-LJQANCHMSA-N 294.398 3.504 30 20 CHED Cc1cc(C)cc(-c2nnc(SCCCC#N)o2)c1 60730783 UZWZWRKHLIDCTF-UHFFFAOYSA-N 273.361 3.749 30 20 CHED N#CCN(C(=O)c1ccc(C2CCCCC2)cc1)C1CC1 67686797 VFPAVLGAGMVDDG-UHFFFAOYSA-N 282.387 3.862 30 20 CHED CC[C@H]1CCC[C@@H](Nc2ccc(OCC#N)cc2)C1 71106545 MMXGFTXQNAKWDF-DZGCQCFKSA-N 258.365 3.970 30 20 CHED C=CCn1c(C)nnc1S[C@H](C)c1ccccc1 72736163 OOVKWQZCDSGVAO-LLVKDONJSA-N 259.378 3.626 30 20 CHED N#C[C@H](COC(=O)/C=C/c1ccccc1)Cc1ccccc1 79219834 XICNPEAICDCZGQ-IENJSVCTSA-N 291.350 3.625 30 20 CHED CCN(CCC#N)[C@@H](C)c1ccc(OC(F)(F)F)cc1 81070323 IQTBUIVBFZBBGF-NSHDSACASA-N 286.297 3.882 30 20 CHED N#CCCSCCOc1cccc2ccccc12 82693078 MUGSLHCAAXEFBK-UHFFFAOYSA-N 257.358 3.865 30 20 CHED CC[C@H](C#N)OC(=O)C[C@H](c1ccccc1)C(F)(F)F 84712388 VVSWPVUQZHSCOI-VXGBXAGGSA-N 285.265 3.568 30 20 CHED CN(CCC(C)(C)C#N)Cc1ccc(Cl)s1 87595287 DIIQRDLEJCGQSG-UHFFFAOYSA-N 256.802 3.773 30 20 CHED Cc1csc(CNc2cc(C#N)ccc2OC(C)C)n1 88525103 RMORCPMTCHJOBN-UHFFFAOYSA-N 287.388 3.723 30 20 CHED CCc1ccc(C2=CCN(C[C@H](C#N)CCC#N)CC2)cc1 93262967 UAZBWETVBYCPIF-KRWDZBQOSA-N 293.414 3.782 30 20 CHED CCCCCCCCC(=O)NCc1cccc(CO)c1 109403183 PXWOZAFMAGTYML-UHFFFAOYSA-N 277.408 3.546 30 20 CHED N#CC1CCN(c2ccnc3ccc(Cl)cc23)CC1 114709094 CAKMWVITRAKVSN-UHFFFAOYSA-N 271.751 3.628 30 20 CHED C=CCS[C@H](C)C(=O)Nc1cc(Cl)ccc1C 114757210 BENXTORLSDFOAW-SNVBAGLBSA-N 269.797 3.895 30 20 CHED Cc1nc(CCSCc2ccc(F)cc2C#N)cs1 124065743 DCTKAKPWHZZFOS-UHFFFAOYSA-N 292.404 3.938 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2C2CCC2)cc1Cl 126098892 XJEJKXLQDIPRLO-HNNXBMFYSA-N 288.778 3.616 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 126923785 VCRZXUIRLUATLG-ARFHVFGLSA-N 286.419 3.847 30 20 CHED C[C@@H](Cc1ccccc1F)N[C@H](C)c1ccc(C#N)cc1 128559309 JTUCHJMASDBZAN-UONOGXRCSA-N 282.362 3.979 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(F)cc1Br 129785163 LEOQSFXQWIKNDH-QMMMGPOBSA-N 292.579 3.991 30 20 CHED C[C@H](OC(=O)c1ccc2ccccc2c1)C(C)(C)C#N 131683951 PENOBBTVFLCYLB-LBPRGKRZSA-N 267.328 3.935 30 20 CHED CN(C(=O)CCCSC(C)(C)C)c1cccc(C#N)c1 133071317 AGJABNWAFFDGBY-UHFFFAOYSA-N 290.432 3.833 30 20 CHED CCCCCCC[S@@](=O)Cc1csc(C)n1 133261039 OMVYJWJUTVEOFJ-INIZCTEOSA-N 259.440 3.671 30 20 CHED C=C(Cl)CNC(=O)CCSc1ccccc1Cl 134813511 CVSOGZURBVDYQG-UHFFFAOYSA-N 290.215 3.691 30 20 CHED C[C@@H]1C[C@H](NCC(C)(C)CCC#N)CN1Cc1ccccc1 151309225 RWZLROODOFZRDY-AEFFLSMTSA-N 299.462 3.569 30 20 CHED C[C@H]1CCCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 151327808 BGJXPUIANJJVJR-HOCLYGCPSA-N 285.391 3.615 30 20 CHED CCCCCCCC(=O)Nc1ccn(CC(F)(F)F)n1 154749999 NYUYGFLZRVYXEY-UHFFFAOYSA-N 291.317 3.744 30 20 CHED CN(C)C(=O)c1cccc(CSc2cccc(C#N)c2)c1 158734937 YKBWBHVLSIALRK-UHFFFAOYSA-N 296.395 3.552 30 20 CHED COC(=O)c1cc(CSCCCC(C)(C)C#N)oc1C 161057671 CTLCHAWNEZQOGS-UHFFFAOYSA-N 295.404 3.938 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 161951541 WLNPMSZIJZIJBG-JTQLQIEISA-N 299.296 3.605 30 20 CHED COc1ccc(C(=O)/C=C/c2cccnc2Cl)cc1F 171350815 VHJBPIDRNUMPIZ-GQCTYLIASA-N 291.709 3.779 30 20 CHED Cc1cc(C(=O)NCCCCC#N)c(C)n1-c1ccccc1 171594880 PYZIYARSYNOINC-UHFFFAOYSA-N 295.386 3.518 30 20 CHED C=CCOCCCC(=O)Nc1ccc2ccccc2c1 173020946 CIKOIAFNMLELIZ-UHFFFAOYSA-N 269.344 3.761 30 20 CHED C#CCCCNC(=O)N(C)Cc1c(CC)oc2ccccc12 174082777 BYJPGQOOFHCFFE-UHFFFAOYSA-N 298.386 3.550 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2cccc(C#N)c2)C1 174443629 KRTXTHRIAKOMAA-INIZCTEOSA-N 271.364 3.602 30 20 CHED C=CCCCC(=O)Nc1ccnn1Cc1ccc(C)cc1 175531512 ITNOQUGSVQEYSD-UHFFFAOYSA-N 283.375 3.535 30 20 CHED CC(C)(C#N)c1ccccc1CSC[C@H]1CCCO1 178377270 HAXMOMNASXJSFV-CQSZACIVSA-N 275.417 3.900 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1(c2ccccc2)CC1 178643222 XTMBTCRKOXNVQH-UHFFFAOYSA-N 276.339 3.537 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 180198490 DSDBGXBWMACNSK-GOSISDBHSA-N 298.430 3.610 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccccc1O[C@@H](C)C#N 180204685 XMBHCWBCGDNUAS-IHRRRGAJSA-N 258.365 3.990 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCCCCCO 180211302 LCGCPXZXGGWYTF-UHFFFAOYSA-N 286.297 3.542 30 20 CHED CCCCCN(CCCOC)Cc1ccc(C#N)s1 180876712 ZVMSAICUXYQWGP-UHFFFAOYSA-N 280.437 3.648 30 20 CHED C[C@@H](NC[C@H]1CCOc2ccccc21)c1cccc(C#N)c1 181728899 VJEPOSPBPRXVKC-RHSMWYFYSA-N 292.382 3.775 30 20 CHED C[C@@H](NCCCSCC#N)c1nc(C(C)(C)C)cs1 184450231 NHBCUDLFEQNMDM-LLVKDONJSA-N 297.493 3.738 30 20 CHED C=CCCCN[C@@H](C)c1nc(C2CCCCC2)no1 185266161 OQLPUZZTUNYBER-LBPRGKRZSA-N 263.385 3.734 30 20 CHED CC#CCCCC(=O)Nc1cc(C)cc2cccnc12 185977414 PRQAPDHAMFILLL-UHFFFAOYSA-N 266.344 3.675 30 20 CHED C#CCC(C)(C)C(=O)N(CCC)CCc1cccs1 186150398 IMCNZODQWCYLSN-UHFFFAOYSA-N 277.433 3.579 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1cc(C)sc1C 188161734 XVTKUSVZQCPPEJ-BLLLJJGKSA-N 295.448 3.771 30 20 CHED C[C@H](CN(CCC#N)CCC#N)c1cccc(Cl)c1 188219180 UWYZQQOHBRUBIX-CYBMUJFWSA-N 275.783 3.573 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(C)c1Cl 189188287 UJDPPRKVZLNFSN-OAHLLOKOSA-N 281.783 3.816 30 20 CHED CSCc1cccc(CNCc2cc(C#N)cs2)c1 189483832 RVIOTIKLSOAGLR-UHFFFAOYSA-N 288.441 3.773 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2ccn[nH]2)c1 190317795 CVHUPCOGJCOKQO-INIZCTEOSA-N 269.348 3.618 30 20 CHED CC#CCCCC(=O)N1CCCSc2ccc(F)cc21 190429315 YOHFYUFUKPWOEY-UHFFFAOYSA-N 291.391 3.848 30 20 CHED Cn1ccc2cccc(NC(=O)Nc3cccc(C#N)c3)c21 191001323 YDJAVMBIZDGHKF-UHFFFAOYSA-N 290.326 3.694 30 20 CHED N#Cc1ccc(CN(Cc2ccccc2)C2CC2)cc1F 191890306 BXTUMMJEZPKYAP-UHFFFAOYSA-N 280.346 3.862 30 20 CHED C=CCC1(C(=O)N2CCC(c3ccncc3)CC2)CCC1 192293023 OJEPHZVAHSBWEC-UHFFFAOYSA-N 284.403 3.534 30 20 CHED C[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1cccc(C#N)c1 192354862 POJREAPUMLKRCS-FZKQIMNGSA-N 292.382 3.992 30 20 CHED COc1cccc(C)c1NCc1cn2ccccc2c1C#N 193488347 GFBGQGTWRVLJEA-UHFFFAOYSA-N 291.354 3.740 30 20 CHED CSCCOc1ccc(-c2ccc(C#N)cc2)cc1 194295077 XQVCFIKCJFEQSD-UHFFFAOYSA-N 269.369 3.967 30 20 CHED CCO[C@@H](C/N=C/c1cccc(OC)c1O)c1ccccc1 194515805 OGNSTYZHTWCFPH-DAQNXSASSA-N 299.370 3.598 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1 209915340 IFEKVYDOYBJHNG-HJWRWDBZSA-N 269.250 3.733 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccccc1[N+](=O)[O-] 213738914 URAQGINGPCCOAP-HJWRWDBZSA-N 297.310 3.808 30 20 CHED C=CCCCOC(=O)c1sc(CCC)nc1C 217232614 CXNWAMQIKIQMSS-UHFFFAOYSA-N 253.367 3.527 30 20 CHED C[C@@H](Cc1cccs1)Nc1nccc(C#N)c1Cl 235119534 SVQRSLDCCJQKOB-VIFPVBQESA-N 277.780 3.711 30 20 CHED CC(C)CC[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 236604973 MXFWRNTVZLIQDE-MRXNPFEDSA-N 287.451 3.951 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1ccc(F)cc1 255769321 JDDTVNJFWBEYIC-KHPPLWFESA-N 286.302 3.739 30 20 CHED C[C@@H](NCc1ncc(C(C)(C)C)o1)c1ccc(C#N)cc1 271706034 UVYMARUBXVBTFQ-GFCCVEGCSA-N 283.375 3.695 30 20 CHED C=CCC(CC=C)c1nc(C2(OC)CCCC2)no1 273989119 WDIZODNVJMMIDR-UHFFFAOYSA-N 262.353 3.721 30 20 CHED C#CCCCCc1nc(-c2ccc3cc[nH]c3c2)no1 274010290 WBIAMPMNUXYLNA-UHFFFAOYSA-N 265.316 3.564 30 20 CHED CCCc1nc(CN2CCCC(C)(C)[C@H]2C#N)cs1 277706213 IBFVWXNFLSIPPK-CYBMUJFWSA-N 277.437 3.610 30 20 CHED CC(C)(C#N)CC(=O)NC(c1ccccc1)c1ccccc1 278276481 PIBPMPRLCVKMDD-UHFFFAOYSA-N 292.382 3.832 30 20 CHED C=CCCCCCN[C@H](C)c1ccc2c(c1)CC(=O)N2C 278319576 AAKIEWOONLNRMH-CQSZACIVSA-N 286.419 3.603 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(CCC#N)Cc1ccccn1 280457342 GWNVQKBSKQILFI-DOTOQJQBSA-N 299.418 3.540 30 20 CHED CC[C@H](CC#N)N[C@H]1CCC[C@@H](c2ncccc2C)C1 281182166 HTXPGDQFRLSYHY-OAGGEKHMSA-N 271.408 3.698 30 20 CHED CC(C)Oc1cccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1 282026851 SSKIQADHYBJAGU-DZKIICNBSA-N 272.392 3.817 30 20 CHED N#Cc1ccnc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 283932116 XNTKKNUHWJCLDA-GOEBONIOSA-N 299.761 3.549 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1c(F)cccc1Cl 286249502 UNTPMONAXRWRNF-XPTSAGLGSA-N 282.746 3.596 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1nc(Cl)c(C#N)s1 288211555 DFJWJOANSMNRLU-KXUCPTDWSA-N 281.812 3.826 30 20 CHED CCO[C@@H](CCNc1nc(Cl)c(C#N)s1)C(C)C 288255440 GHWDGCWCYPNTFL-VIFPVBQESA-N 287.816 3.531 30 20 CHED COC(=O)Nc1cccc(NCCC(C)(C)C#N)c1C 288755199 RLLJQYWVZXGNTH-UHFFFAOYSA-N 275.352 3.525 30 20 CHED C=C(C)CCc1noc(CCC(=O)c2ccc(C)s2)n1 289328761 ZGHVUGUCQDEWKU-UHFFFAOYSA-N 290.388 3.764 30 20 CHED C=C[C@H](CC(=O)N1CC(C)(CC)C1)c1ccccc1 291102112 RVHXOWBNZRVRQM-CQSZACIVSA-N 257.377 3.605 30 20 CHED N#CCCCC(=O)Nc1cc(Cl)c(Cl)cc1F 291827049 DKSGNGBAZHSEDW-UHFFFAOYSA-N 275.110 3.765 30 20 CHED C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)CCCC#N 291895992 KNXBITKMWFAYAJ-SUMWQHHRSA-N 270.376 3.510 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCCC#N)o1 292142849 OWDOVPQJJINZJB-JSGCOSHPSA-N 274.364 3.582 30 20 CHED C=C[C@H](CC(=O)NCCC(C)(F)F)c1ccccc1 295555577 KTLOWUSIARJVCX-GFCCVEGCSA-N 267.319 3.508 30 20 CHED C[C@H](Nc1ccc2c(n1)CCCC2=O)c1ccc(C#N)cc1 296497767 LKYRLNOQTZVJRI-LBPRGKRZSA-N 291.354 3.645 30 20 CHED C=C(C)CN(CC)C(=O)/C=C/c1nc2ccccc2s1 298071828 AISNVLHWLREGLW-MDZDMXLPSA-N 286.400 3.734 30 20 CHED C[C@H](CCC#N)N(C)CCc1ccc(Cl)cc1 299447280 YTKQSHAPCIPRDP-GFCCVEGCSA-N 250.773 3.507 30 20 CHED C=C[C@@H](C)Nc1cncc(SCc2ccccc2)n1 301838703 ZECLZDQREJBWKU-GFCCVEGCSA-N 271.389 3.755 30 20 CHED CC(C)[C@H](CNc1cccc(C#N)n1)Nc1ccccc1 301872814 XJODTMUWPYBOMK-INIZCTEOSA-N 280.375 3.502 30 20 CHED CC[C@H](CSC)Nc1ccc2cc(C#N)ccc2n1 301989492 MDSXBWYBZPTXHQ-CYBMUJFWSA-N 271.389 3.660 30 20 CHED C=CC[C@H](CC)NCc1sccc1Br 308589386 JRSZMJCUFWVQDG-VIFPVBQESA-N 274.227 3.955 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1csc(Cl)c1 309577187 PHPVHPKNBOFNQD-SECBINFHSA-N 254.786 3.746 30 20 CHED Cc1nc(NC[C@H]2CCCCS2)c(Cl)cc1C#N 310816768 BBDPZFRCSFOUHR-LLVKDONJSA-N 281.812 3.613 30 20 CHED CCCCCCCC(=O)Nc1cccc(CCO)c1 313149684 OTMRHTBNXNZMOL-UHFFFAOYSA-N 263.381 3.520 30 20 CHED CC1(C)CC[C@H](C(O)=Nc2cccc3c2CN=C3O)C1 329290436 QOQYLDUQQJPFCO-JTQLQIEISA-N 272.348 3.919 30 20 CHED CC1(C)CCC[C@@H]1C/N=C(/O)c1conc1C1CC1 329348360 VZRVXHUAPRVLMZ-LLVKDONJSA-N 262.353 3.683 30 20 CHED C=CCCc1ccccc1N=C(O)N1CCC(C)(C#N)CC1 330387711 CFDOFCKDJLOIPA-UHFFFAOYSA-N 297.402 3.976 30 20 CHED CN(C(=O)NCC1(C#N)CCC1)[C@H]1CCC[C@@H]1C(C)(C)C 331577008 ZJFDLKQTYHGUGJ-KBPBESRZSA-N 291.439 3.536 30 20 CHED CC(C)N(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 334966722 CCPMMQJEMUBSIV-QGZVFWFLSA-N 297.402 3.518 30 20 CHED CC1(C)CN(C(=O)Nc2cccc(CC#N)c2)[C@@H]2CCC[C@@H]21 335577764 FUQDRKZPBSUFNR-JKSUJKDBSA-N 297.402 3.795 30 20 CHED C[C@@H](Sc1ccc(C#N)cn1)c1cccc(C#N)c1 335808146 ANTABLJNALOLEV-LLVKDONJSA-N 265.341 3.678 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(C#N)oc1C 336153029 REYBSKIQEKOBAI-SWLSCSKDSA-N 274.364 3.501 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 336183684 REMQQOGAMHCMQB-OAHLLOKOSA-N 285.391 3.653 30 20 CHED Cc1sc(NC(=O)[C@H]2Cc3ccccc32)c(C#N)c1C 336516359 VARTXLGTIILVPM-ZDUSSCGKSA-N 282.368 3.515 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(Cl)c2ncccc12 337861918 BJTUGHVNIQOHKZ-UHFFFAOYSA-N 286.762 3.702 30 20 CHED COCc1ccc(-c2noc(CCCCCC#N)n2)cc1 350003487 IDIDWBIIXKWNTJ-UHFFFAOYSA-N 285.347 3.509 30 20 CHED CCSc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 350916522 DRLIWYQPZTYZJD-CQSZACIVSA-N 282.368 3.684 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc(NC(C)=O)cc2)n1 351620923 UBBWROJINLSPGB-XFFZJAGNSA-N 297.358 3.707 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc(NC(C)=O)cc2)n1 351620924 UBBWROJINLSPGB-YRNVUSSQSA-N 297.358 3.707 30 20 CHED Cc1cc2cc(CNCc3cccc(C#N)c3)ccc2[nH]1 353125446 LFXDMKTVHKETSH-UHFFFAOYSA-N 275.355 3.638 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C1CC(C)(C)C1 353328557 MGCGTTZVSHPBNR-UHFFFAOYSA-N 285.391 3.755 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2ccc(OC)cc2)CC1 354321680 ZAAVHQJSNDWCFC-CYBMUJFWSA-N 273.376 3.619 30 20 CHED CCC(C)(C)CC(=O)Nc1cc(C#N)ccc1NC1CC1 355646434 UEHHYEPOJCCGCO-UHFFFAOYSA-N 285.391 3.897 30 20 CHED N#CCCCC(=O)Nc1ccc(OCc2ccccc2)cc1 359867749 AINXAVDVQPLTDF-UHFFFAOYSA-N 294.354 3.898 30 20 CHED CCSCc1cccc(NC(=O)CCCC#N)c1 360270731 YDGFPAPUPHALMI-UHFFFAOYSA-N 262.378 3.572 30 20 CHED CC[C@H](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 360945493 FGPXRCCGCBQDID-JTQLQIEISA-N 276.405 3.873 30 20 CHED CC1(C)CCN(c2c(C#N)cnc3c(F)cc(F)cc23)C1 361181624 PDJWQAJXJCZCHF-UHFFFAOYSA-N 287.313 3.621 30 20 CHED CC(C)[C@H](C)N(Cc1ccc(C#N)c(F)c1)C1CC1 361692546 LUDANYUOLBQJFD-LBPRGKRZSA-N 260.356 3.706 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC(C)(C)C1 362397980 UOETZRMXXNRRQX-UHFFFAOYSA-N 275.417 3.837 30 20 CHED N#CC[C@H]1CCCN(Cc2cccc(Br)c2)C1 397682530 UJXVXEMIYQMGBY-GFCCVEGCSA-N 293.208 3.575 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(C(=O)O)c1C 398092675 OXEGPQBHUIOKDY-LLVKDONJSA-N 290.363 3.560 30 20 CHED C[C@@H](CCC#N)Sc1nc2cc(F)c(F)cc2[nH]1 412986384 HMYWTZNXTLYYLL-ZETCQYMHSA-N 267.304 3.625 30 20 CHED COc1cccc(OC)c1OCCCCSCCC#N 413018814 RFTSQBGSJQPTBU-UHFFFAOYSA-N 295.404 3.510 30 20 CHED CC(C)(CNc1ccc(Cl)cc1C#N)c1cccnc1 413581937 GBKVMIYBLMMOSS-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1Cl)[C@H]1CC1(C)C 416084874 PPOUBDHDGGVPMV-TZMCWYRMSA-N 290.794 3.766 30 20 CHED N#CC1(CNC(=O)C2CCC(c3ccccc3)CC2)CCC1 416343990 AHUWAXPANPDKLC-UHFFFAOYSA-N 296.414 3.770 30 20 CHED C[C@H](C[C@@H]1CCCCCN1)N[C@H](CCC#N)c1ccccc1 422999410 SMUUKLCHBJFTKD-NZSAHSFTSA-N 299.462 3.932 30 20 CHED C=C(C)C(C)(C)c1nc([C@@H](C)c2nccs2)no1 424354713 NTJJRTYCFDTDDB-SECBINFHSA-N 263.366 3.532 30 20 CHED CO[C@H](CC(C)C)CN(C)[C@@H](C)c1cccc(C#N)c1 425543452 ZMKPIHOSWQJXOJ-WMLDXEAASA-N 274.408 3.612 30 20 CHED C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](C)C1CCCCC1 425612822 RIJLIIOOIISMFS-KNCOVGOOSA-N 291.439 3.583 30 20 CHED C=C(C)CNC(=O)C1(c2cccc(F)c2)CCCCC1 428110312 HDRZFCSYQICSIJ-UHFFFAOYSA-N 275.367 3.720 30 20 CHED N#CCC1(CNC(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 430570531 YUOCKEPLMORBMN-INIZCTEOSA-N 297.402 3.521 30 20 CHED Cc1cc(F)ccc1NC(=O)[C@@H](C#N)CCc1ccccc1 433124955 HDSPSELVBUHTOG-OAHLLOKOSA-N 296.345 3.845 30 20 CHED CCc1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 435041488 IWRBKJVXVFZQSS-UHFFFAOYSA-N 290.366 3.791 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(CC)CCC1 438263202 XRQVDQOFZHAQAL-UHFFFAOYSA-N 266.429 3.955 30 20 CHED Cc1ccc2c(NCC3CCC(C#N)CC3)ccnc2n1 440632933 CPTBUODATJJBRX-UHFFFAOYSA-N 280.375 3.680 30 20 CHED CC[C@@H](F)CNc1ccccc1SCCC#N 442133770 OILREDMJHVDFSW-LLVKDONJSA-N 252.358 3.852 30 20 CHED CSCc1cccc(CNc2nccc(C)c2C#N)c1 445666320 OBNWIVKNEKVDBF-UHFFFAOYSA-N 283.400 3.737 30 20 CHED N#CCCCCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 448905998 DLTPBNPVBNHMCZ-IAGOWNOFSA-N 284.403 3.770 30 20 CHED C=CC(C)(C)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 450321054 QIDSXMWCTCPHLN-UHFFFAOYSA-N 295.785 3.839 30 20 CHED N#CC1(CN[C@@H]2CCC[C@@H]2c2ccccc2)CCC1 450820392 NRPGESPVPSVBQA-HZPDHXFCSA-N 254.377 3.606 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCC(C)(C)CCC#N 451773097 LGZSGAHAODZHEJ-AWEZNQCLSA-N 266.429 3.895 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(OC2CCC2)cc1 452777342 UETNRESTZNFTJV-UHFFFAOYSA-N 273.376 3.560 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)c1nc(C2(C)CC2)no1 453304326 PBYNSCAYJPBLDY-UHFFFAOYSA-N 281.359 3.513 30 20 CHED CC(C)[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)[C@@H]1C(C)C 455902176 FZCVQPUKKYAFSR-IAGOWNOFSA-N 299.418 3.897 30 20 CHED C=CC[C@H](C(=O)N1C[C@H](C2CC2)[C@H]1C1CC1)c1ccccc1 456251424 MGVISYSFAHIVQH-IPMKNSEASA-N 295.426 3.993 30 20 CHED CC(C)[C@@H]1N(C(=O)C2(C#N)CCCC2)CC12CCCCC2 458201969 WVEMQANIJBTOIJ-HNNXBMFYSA-N 288.435 3.888 30 20 CHED C=CCNC(=O)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 460695759 FCSLGONHQUFRCS-MRXNPFEDSA-N 286.419 3.570 30 20 CHED CC(C)c1ccc(C[C@H]2CCN(CCC#N)C2)cc1 460982488 XLXDEDCGNASRSU-MRXNPFEDSA-N 256.393 3.588 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(Cc2cccs2)no1 461801700 YMEDQGXOPCLUMI-LLVKDONJSA-N 295.367 3.745 30 20 CHED C[C@H](C(=O)N1C[C@H](C)c2ccccc21)c1cccc(C#N)c1 461907765 JPMPVFVAFBXXHB-KBPBESRZSA-N 290.366 3.812 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462135163 GQQWALDPUSIBAT-RBSFLKMASA-N 284.403 3.699 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2CC)c1 465154277 AAVASENWYMBULO-XJKSGUPXSA-N 288.391 3.952 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@]1(C)CC 466294708 BHFLYWAUOSVTNO-YOEHRIQHSA-N 275.367 3.777 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cn1 466867346 XCQRTIFAHXFRIY-MRVPVSSYSA-N 273.163 3.929 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCOc1c(C)cccc1C 467927265 NNCGOPGOHHURRT-SFHVURJKSA-N 289.419 3.791 30 20 CHED CCc1cccc(COc2ccc(C#N)cc2OC)c1 468428792 NMQOXHLNHPEGGU-UHFFFAOYSA-N 267.328 3.708 30 20 CHED CC1(C)[C@H](N[C@@H]2CC[C@@H](C#N)C2)C[C@H]1OCc1ccccc1 471587719 VNHHWFDVPZDTTQ-BRSBDYLESA-N 298.430 3.652 30 20 CHED C=CCCCCNC(=O)Nc1nc(C(C)(C)C)cs1 472126389 OVUXYNFYFQDLDU-UHFFFAOYSA-N 281.425 3.918 30 20 CHED N#Cc1ccc(CCC(=O)N(CC2CCC2)CC2CC2)cc1 478586078 PLOQHHQALHFKTB-UHFFFAOYSA-N 296.414 3.530 30 20 CHED COc1cc(C#N)cc(Cl)c1OCCC(C)C 479636009 DRDDLOSOTFFPCK-UHFFFAOYSA-N 253.729 3.645 30 20 CHED C=C(C)[C@H](N[C@@H](CC)[C@@H]1CCOC1)c1ccc(F)c(F)c1 480671288 XLULDFONYGYJNZ-COXVUDFISA-N 295.373 3.987 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 483120567 KKJAYPGPRHTSQS-GJZGRUSLSA-N 261.409 3.914 30 20 CHED CC(C)c1cnc(SCc2cccc(F)c2C#N)n1C 488264045 NHHOUAMPHMQZND-UHFFFAOYSA-N 289.379 3.847 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCC(=O)c1ccc(C)s1 488863354 XWYNFPNBWXGENM-CYBMUJFWSA-N 291.416 3.587 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2sccc21 488878323 LRUVQLIBPVBQSA-TZMCWYRMSA-N 275.417 3.735 30 20 CHED C[C@H](CCCC(F)(F)F)N=c1ccc(Cl)c(C#N)[nH]1 493705282 IZXJBRHXEGKXHB-MRVPVSSYSA-N 291.704 3.562 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)CCC(C)C 497532604 KRQGCTMOERMVLH-CQSZACIVSA-N 275.392 3.806 30 20 CHED CC#CCCNC(=O)Nc1ccc(-c2nc(C)cs2)cc1 497682132 ZZLFTJXOJNVIJQ-UHFFFAOYSA-N 299.399 3.653 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)cc1 502202459 KALAUOGFHBLYKV-CABCVRRESA-N 287.403 3.760 30 20 CHED C=C(C)CCSc1n[nH]c(/C=C\c2ccc(C)o2)n1 505655285 CJYLVHBFSRELID-SREVYHEPSA-N 275.377 3.935 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 514579891 LSWQRJDXVKPDPA-OWCLPIDISA-N 278.440 3.953 30 20 CHED C=CCC[C@H](C)N[C@@H](COC)c1cccc(Cl)c1 515702472 LIMYYCPCRSCZHG-WFASDCNBSA-N 267.800 3.972 30 20 CHED CCC1(c2noc(-c3cccc(C#N)c3)n2)CCCC1 516144742 DDURAHCZWNEULZ-UHFFFAOYSA-N 267.332 3.830 30 20 CHED C=CCC(C)(C)C(=O)N1CC(C)(C)[C@H]1c1cccnc1 521440159 UHCUOZAVTFWDLQ-CQSZACIVSA-N 272.392 3.593 30 20 CHED N#Cc1c(F)cccc1[S@@](=O)CCC1=CCCCC1 522014134 PEAMEDPABIQLFM-IBGZPJMESA-N 277.364 3.695 30 20 CHED C=CCCCSc1nncn1-c1ccc(C)cc1C 524220611 RKVZVTXQVKVJMG-UHFFFAOYSA-N 273.405 3.942 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)[C@H]1CC12CC2 527878920 FWYYHESUWLHNKO-CZUORRHYSA-N 270.376 3.970 30 20 CHED C=CCN1CCC(N[C@@H]2CCc3c(Cl)cccc32)CC1 532515147 BEHHAVOAOCWODP-QGZVFWFLSA-N 290.838 3.567 30 20 CHED CC(C)(C#N)c1ccccc1CN1C2CCC1CC2 532622513 CIYRXYAHGYQDQO-UHFFFAOYSA-N 254.377 3.615 30 20 CHED C=C(C)[C@H](CC(=O)NCC[C@H]1CCCC[C@@H]1C)OCC 535887617 FPGRKPPANOMYDV-XHSDSOJGSA-N 281.440 3.690 30 20 CHED CC#CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 536459313 LLUTYCQCGFAXLC-HNNXBMFYSA-N 290.794 3.504 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(Cl)c(C#N)c2)C1 537580244 BCYUHQLHWHJTJR-VXGBXAGGSA-N 290.794 3.862 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(Cl)s1 538605009 ONIJSNLDBOCTCO-VIFPVBQESA-N 272.801 3.555 30 20 CHED C=CCCCc1nc(-c2cccc(CN3CCCC3)c2)no1 545677130 FEBWENNWJJYTLL-UHFFFAOYSA-N 297.402 3.841 30 20 CHED N#Cc1cccc(CN2CC[C@H](c3ccc(F)cc3)C2)c1F 552828639 ZRJIDUJJVDXKOH-HNNXBMFYSA-N 298.336 3.826 30 20 CHED C=CCc1cc([N+](=O)[O-])ccc1OCc1ccc(OC)cc1 553100240 ZWRDVNOHHYCDPE-UHFFFAOYSA-N 299.326 3.911 30 20 CHED Cc1csc(CSc2cccc(F)c2C#N)n1 555873811 FPBMQVALESVWGQ-UHFFFAOYSA-N 264.350 3.755 30 20 CHED C=CCOc1ccc(CC(=O)N(C2CCCC2)C2CC2)cc1 556130220 WQURVMUPRVISCD-UHFFFAOYSA-N 299.414 3.728 30 20 CHED CN(CCC1(C#N)CCCCC1)Cc1cccc(O)c1 556810658 JUYPVHWZCFJIPK-UHFFFAOYSA-N 272.392 3.688 30 20 CHED N#Cc1ccc(CN[C@H]2CCCCC23CCCC3)nc1 559842350 FURDQKXEYYXIBA-INIZCTEOSA-N 269.392 3.546 30 20 CHED Cc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)C2CC2)cc1 561954166 JJBCICLZYFTNSW-JQFCIGGWSA-N 254.377 3.728 30 20 CHED C=CCC[C@@H](C(=O)N[C@H]1CCC[C@H]1F)c1ccccc1 565622400 WMAUQEXGJMUMDW-OAGGEKHMSA-N 275.367 3.743 30 20 CHED C=CCOCCNC(C)(C)c1cccc(C(F)(F)F)c1 567053570 GBNNGCCLQPFFRQ-UHFFFAOYSA-N 287.325 3.733 30 20 CHED Cc1nsc(N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1C#N 569637672 UQDMZCFYSAIZDH-SWLSCSKDSA-N 297.427 3.953 30 20 CHED CC(C)c1ccc(CCC(=O)Nc2cccc(C#N)n2)cc1 570929158 FLOTYWCXIAOLAQ-UHFFFAOYSA-N 293.370 3.648 30 20 CHED Cc1cc(N2CCC(C)(C#N)CC2)nc(-c2cccs2)n1 579685119 AJOWXCGNBGTUDK-UHFFFAOYSA-N 298.415 3.644 30 20 CHED N#CC1(CNC(=O)C2(C3CCCCC3)CCCCC2)CC1 580871493 WNWRPOAUQZTVFG-UHFFFAOYSA-N 288.435 3.937 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2sccc2C)cc1 581047240 ZLBHWBSSBQCFJH-OAHLLOKOSA-N 298.411 3.956 30 20 CHED Cn1ccc2ccc(NC(=O)NCC(C)(C)CCC#N)cc21 582743641 GYGIMCVRMZULRH-UHFFFAOYSA-N 298.390 3.630 30 20 CHED CC(C)(C)c1ncc(CN2CCC(CC#N)CC2)s1 584192074 MNSNDWYINMZZKB-UHFFFAOYSA-N 277.437 3.566 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cccc(F)c1F 588386972 ZQVJJKTYOGQGJZ-PLNGDYQASA-N 295.266 3.831 30 20 CHED Cc1cnccc1C/N=C\c1c(O)ccc2ccccc12 588523156 ITDDNMGRSISTGT-NDENLUEZSA-N 276.339 3.868 30 20 CHED CC[C@](C)(NC(=O)CCCCCC#N)c1nc(C)cs1 588932660 QWBWKNJWXVNQMT-HNNXBMFYSA-N 293.436 3.667 30 20 CHED Cc1csc(NC(=O)N[C@@H](C)c2ccccc2)c1C#N 590605955 GDVZSNDGOYGCLZ-NSHDSACASA-N 285.372 3.811 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)s1 593035789 BBZSHJWOERZTJU-UHIISALHSA-N 286.400 3.723 30 20 CHED CCCC[C@@H](C)N(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 594034923 GLBAASCDUWMCAV-HUUCEWRRSA-N 286.419 3.774 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc(Cl)ccc1OC(C)C 594087191 BNVZVPWJTZETGX-GFCCVEGCSA-N 294.782 3.501 30 20 CHED N#CCC1(CNc2cccc(Br)c2F)CC1 594706959 DQZMWGBAEVLYCJ-UHFFFAOYSA-N 283.144 3.694 30 20 CHED CCN(Cc1nc(-c2ccc(C)cc2)cs1)[C@H](C)C#N 595820721 PCKUKXJIKJJYAL-CYBMUJFWSA-N 285.416 3.853 30 20 CHED COc1ccc(F)cc1NC(=O)CC1(C#N)CCCCC1 597459531 BGGCOGIPRFSFHO-UHFFFAOYSA-N 290.338 3.637 30 20 CHED N#Cc1cccc2c1CCN2C(=O)C1[C@@H]2CCCCCC[C@@H]12 597788752 NVLMFGJBDCQIKU-HZPDHXFCSA-N 294.398 3.664 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 597994510 JFQWQQGDPGQAQA-CRAIPNDOSA-N 296.414 3.552 30 20 CHED CCCc1cc(C(=O)N(C2CC2)[C@H](C)C#N)sc1C 598126687 HJICOZWRWVWBDX-SNVBAGLBSA-N 276.405 3.526 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)CCCC2CCCC2)n1 598851545 CSUWDAKASNVGFD-UHFFFAOYSA-N 285.391 3.869 30 20 CHED Cc1ccc2occ(CC(=O)N[C@](C)(C#N)CC(C)C)c2c1 599236899 ONVPJRXZYZAIRO-SFHVURJKSA-N 298.386 3.728 30 20 CHED CC(=O)Nc1ccc(NC[C@H](C)CCC#N)cc1Cl 602484808 RKNCUIDFYFNFEX-SNVBAGLBSA-N 279.771 3.650 30 20 CHED C[C@@H](CCC#N)CNCC1(c2ccc(F)cc2)CCC1 602526384 KEZACXFBSSIWEC-AWEZNQCLSA-N 274.383 3.777 30 20 CHED N#Cc1cccc(CN[C@@H](CC2CCC2)c2ccccc2)n1 602600423 JIKPRYXYXMCIGT-IBGZPJMESA-N 291.398 3.974 30 20 CHED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C[C@@H](C)CCC#N 602669406 WKEXNHUJFIZNCV-XJKSGUPXSA-N 288.439 3.884 30 20 CHED Cc1ccc([C@H](NCC2(CC#N)CC2)c2ccccn2)cc1 602822648 XDLQSGUEWINCGG-SFHVURJKSA-N 291.398 3.763 30 20 CHED CC(C)Oc1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 611379103 ZDZONJNNUHSRPO-AWEZNQCLSA-N 295.386 3.591 30 20 CHED C[C@@H](Nc1cccc(C[S@](C)=O)c1)c1cccc(C#N)c1 611483025 PQYTVSAOYGVCPX-ASSNKEHSSA-N 298.411 3.610 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 612098480 QAZXRFFRHDBSCH-ZBFHGGJFSA-N 279.428 3.536 30 20 CHED CSC[C@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N 613429609 OMDWKKIWZBCHJJ-CYBMUJFWSA-N 289.448 3.583 30 20 CHED C[C@@H](NC(=O)C1(C)CCCCC1)c1cccc(C#N)c1 614844040 VWLHBUIIEUXNAZ-CYBMUJFWSA-N 270.376 3.706 30 20 CHED C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@](F)(C#N)C1 615647042 STAOMHMYBSCMST-NOZJJQNGSA-N 287.165 3.992 30 20 CHED Cc1cc(C)nc(S[C@H](C#N)Cc2ccccc2)c1 615683382 MAIYRMAOGFRLQD-HNNXBMFYSA-N 268.385 3.925 30 20 CHED CC(C)(C#N)CCSCc1noc2c1CCCC2 616302210 KIDJZVDYILJGLW-UHFFFAOYSA-N 264.394 3.726 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCc3c(O)cccc32)C1 617780242 RCASWEKUWOGSAB-WMLDXEAASA-N 299.414 3.627 30 20 CHED C=CCC1(NC(=O)C[C@H](C=C)c2ccccc2)CCOCC1 618248613 OAYSKXIYOCCFEE-INIZCTEOSA-N 299.414 3.588 30 20 CHED C=CCC1(C(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)CCC1 619201548 FRJKJOKLORPIJF-HOTGVXAUSA-N 291.435 3.541 30 20 CHED Cc1ccc(CCCN[C@H]2CC[C@H](C#N)C2)c(C)c1 619672186 YBZFWNGGHHAAJP-RDJZCZTQSA-N 256.393 3.518 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2nc(CC)sc2c1 646515837 ZEZHXJVSJZOFIR-SECBINFHSA-N 275.377 3.555 30 20 CHED C=CCC1(NC[C@@H]2CCCC[C@H]2C)CCOCC1 657633070 FQMYWQCNPISDHG-CABCVRRESA-N 251.414 3.528 30 20 CHED C=CCC1(NCc2cccc(OC)c2OC)CCCC1 657701641 AGDSEIXYRIEFIM-UHFFFAOYSA-N 275.392 3.682 30 20 CHED C=CC[C@@H]1CCCN(C[C@@H]2CCCCN2C(C)C)C1 661384081 GPRDPEHYGPLDEM-SJORKVTESA-N 264.457 3.537 30 20 CHED C=CCN(CC(=O)Nc1ccccc1Cl)C(C)(C)C 661756961 ZNLATUCGCHOQDV-UHFFFAOYSA-N 280.799 3.565 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2nc(CC)c(C)s2)C1 666221964 BDKUVDRXDWKXLJ-GFCCVEGCSA-N 293.436 3.834 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1cnc(C)n1C 667482276 YPARSUKYZONNCK-UHFFFAOYSA-N 295.839 3.632 30 20 CHED CCC#C[C@@H](C)N[C@H](CC)c1ccc(OC)c(OC)c1 671705933 NBTHXDZJNDNXOD-UKRRQHHQSA-N 275.392 3.546 30 20 CHED C=C(C)CNC(=O)[C@H](C)c1c(Cl)cccc1Cl 681743514 BDJMEMZXYJGLGI-SECBINFHSA-N 272.175 3.789 30 20 CHED COc1ccc([C@H](C)N[C@H](C)CC(C)(C)C#N)cc1 695815163 KHZDJWMCHIZRHG-OLZOCXBDSA-N 260.381 3.674 30 20 CHED C#CCN(CC)C(=O)c1cc2c(s1)CCCCCC2 700579995 LQHUHWVAHMTEKO-UHFFFAOYSA-N 275.417 3.502 30 20 CHED FC(F)(F)c1cccc(C=Nn2cnc3ccccc32)c1 725849605 NONNCRPRHGGIIT-UHFFFAOYSA-N 289.260 3.937 30 20 CHED CC(C)C(=NNc1nc(-c2ccccc2)no1)C1CC1 726738333 PMLDYBAEEISERD-UHFFFAOYSA-N 270.336 3.571 30 20 CHED C#CCCOC(=O)c1cc2c(Cl)cccc2s1 727042699 PMIHBXDFDLDJRH-UHFFFAOYSA-N 264.733 3.735 30 20 CHED Cc1ccc(-c2nc(C=NNC3CCCC3)cs2)cc1 727652319 XVVQEBIUFNMEQA-UHFFFAOYSA-N 285.416 3.985 30 20 CHED C[C@H](C#N)OC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727927539 MRDFDAIJZNHQOA-JEZHCXPESA-N 284.142 3.552 30 20 CHED N#Cc1cccc(NN=C2CCCOc3ccccc32)c1 728425934 PTSCYLJXTWXDGN-UHFFFAOYSA-N 277.327 3.547 30 20 CHED CCC(C)=NNc1ccc(Br)cc1F 728433155 UTLYBCBNIZXAJP-UHFFFAOYSA-N 259.122 3.786 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2ccc(C(=O)O)cc2)c1 730436735 LRQJNUYRUXUWDM-YVMONPNESA-N 280.323 3.898 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1 731557021 YMMQWYPMCJNQQL-KRWDZBQOSA-N 295.338 3.875 30 20 CHED CN(CCc1ccccc1F)c1cccc(F)c1C#N 731664013 OAIFNKJGRIRSIP-UHFFFAOYSA-N 272.298 3.515 30 20 CHED CCO[C@H]1CC(=NNc2cccc(F)c2)C12CCC2 741163236 QQCXXDJUOKLJMF-AWEZNQCLSA-N 262.328 3.573 30 20 CHED N#Cc1cc(F)ccc1NCCCOc1ccccc1F 742390489 PGYFSENNCKQOFS-UHFFFAOYSA-N 288.297 3.717 30 20 CHED COCc1cccc(/C=C2\COc3c(C)cccc3C2=O)c1 742432518 BLWGQTZMRPZXES-MHWRWJLKSA-N 294.350 3.800 30 20 CHED C#CCOc1cccc(NC(=O)N[C@H](C)C[C@@H](C)CC)c1 743147086 MEPCODHXVLXENR-UONOGXRCSA-N 288.391 3.645 30 20 CHED CCC1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 744141971 WBBTVDZLSXFMMV-UHFFFAOYSA-N 294.402 3.501 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1nc2ccccc2o1 744211644 ZPAJPTNYNPCURE-UHFFFAOYSA-N 294.329 3.602 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCCN(C(C)C)C1 745997882 YQCXYPFWMFOZNM-KRWDZBQOSA-N 296.499 3.974 30 20 CHED CCCCCCCC(=O)OCC(=O)c1ccc(C#N)cc1 748258140 MAYHNBGPRAYVAZ-UHFFFAOYSA-N 287.359 3.645 30 20 CHED C[C@@H](OC(=O)C1(C)CCCC1)c1ccc(C#N)cc1 748677067 HZZOXPXWLKEDQK-GFCCVEGCSA-N 257.333 3.743 30 20 CHED N#Cc1ccc(C=NNc2ccc(Cl)c(F)c2)s1 748788600 HRZAFKJQEMOURV-UHFFFAOYSA-N 279.727 3.858 30 20 CHED CC(C)=CCCC(C)=NNc1cncc(Cl)n1 749159347 ZFCJOTRODZEODE-UHFFFAOYSA-N 252.749 3.664 30 20 CHED C[C@@H](CO)NN=C1CCCCCCCCCCC1 749816686 SNCPLDHXVXBPGJ-AWEZNQCLSA-N 254.418 3.618 30 20 CHED C#CC[C@@H](OC(=O)CCc1c[nH]c2cc(C)ccc12)C1CC1 750775681 WCKGQWJPCJXINW-GOSISDBHSA-N 295.382 3.754 30 20 CHED N#Cc1ccc(NN=C[C@@H]2CCOc3ccccc32)cc1 752159470 DBQAGUMQOSZLRZ-AWEZNQCLSA-N 277.327 3.522 30 20 CHED CC(C)CCON=C(N)c1cccnc1Oc1ccccc1 754278665 WBWJXWZVQUCZHB-UHFFFAOYSA-N 299.374 3.557 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 754374904 UVZBIEUGXFWOFB-SECBINFHSA-N 289.684 3.500 30 20 CHED Cc1cccc(C=NNc2ccc(C(F)(F)F)nn2)c1C 754708852 IGFJFWDYUMBGKO-UHFFFAOYSA-N 294.280 3.558 30 20 CHED CC(C)CN(C(=O)C=C1CCC1)c1ccc(C#N)cc1 755180368 XAVVHJPQZMELBL-UHFFFAOYSA-N 268.360 3.658 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=CCCc2ccccc2)o1 755674811 MGVSLFPYDXDWFA-UHFFFAOYSA-N 296.374 3.874 30 20 CHED COc1cccc(OC)c1C=NNc1ccc(F)cc1C 755801808 OMCSWBHELBPZHD-UHFFFAOYSA-N 288.322 3.597 30 20 CHED C#CCOc1ccccc1OCCCOCc1ccccc1 758761614 NSIXFDFXBWAXQV-UHFFFAOYSA-N 296.366 3.684 30 20 CHED N#Cc1cc(COC(=O)c2cccc3[nH]ccc23)ccc1F 758933234 OZMWOZGEERFITD-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@H](C)C(CC)CC 761743380 SRDOGBGEXCLIAC-GFCCVEGCSA-N 291.366 3.849 30 20 CHED Clc1scc(C=NO[C@H]2CCCCO2)c1Cl 761827492 FMAVALYEGZSWOG-QMMMGPOBSA-N 280.176 3.932 30 20 CHED C#CCCc1noc(-c2cccc(OC3CCCC3)c2)n1 761999563 PWTGCZNBNMKKFI-UHFFFAOYSA-N 282.343 3.624 30 20 CHED CCC[C@@H](C(=O)OCc1cc(C#N)ccc1F)C(C)C 763856976 QRKIIDKMMBKBGB-CQSZACIVSA-N 277.339 3.813 30 20 CHED C#CCC(C)(C)C(=O)Nc1nnc(C2CCCCC2)s1 767048643 UMFMWLSAUOSSEN-UHFFFAOYSA-N 291.420 3.574 30 20 CHED C#C[C@@H](C)N(C)C(=O)CCCc1csc2ccccc12 767253374 OOQIZZCUQJSZIR-CYBMUJFWSA-N 285.412 3.704 30 20 CHED CC(Cc1ccncc1)=NNc1nccc2sccc12 767776607 NRNZECBGHKNHKU-UHFFFAOYSA-N 282.372 3.722 30 20 CHED C=CCc1cc(CN(CC=C)C(C)C)cc(OC)c1O 768546474 AVWNEGURYOQGQO-UHFFFAOYSA-N 275.392 3.526 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cc(C)n(C2CCCCC2)c1C 769644685 KVZXHGXEQGWAON-ZDUSSCGKSA-N 286.419 3.704 30 20 CHED COc1ccc(NN=C(C)c2sccc2OC)cc1 769800506 VDSCRBZIUSTIHJ-UHFFFAOYSA-N 276.361 3.601 30 20 CHED C[C@H](Cc1ccccc1Cl)Nc1cnccc1C#N 769855834 VKEAQXIIUKSALD-LLVKDONJSA-N 271.751 3.650 30 20 CHED C[C@H]1CCN(C(=O)/C=C/c2ccccc2C#N)CC12CCC2 771339008 LVKZDNPUGGYFHM-KIUWMYQTSA-N 294.398 3.610 30 20 CHED C#Cc1ccc(-c2nc(-c3cccc(C(F)F)c3)no2)cn1 771506508 LIGWNMJSDVRDMA-UHFFFAOYSA-N 297.264 3.718 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(F)cc2)c(F)c1 772803319 SHTXSZCANWTFFE-VMPITWQZSA-N 269.250 3.733 30 20 CHED C#CCCCCC(=O)N1CCCc2c(C)cc(C)cc21 773324790 MPNDWECXWVNHBK-UHFFFAOYSA-N 269.388 3.776 30 20 CHED C=C(CC)COC(=O)CCC(C)(C)NC(=O)OC(C)(C)C 773515532 UDUCRFDIEATCOQ-UHFFFAOYSA-N 299.411 3.579 30 20 CHED C#CC[C@@H](NCc1ccc(N(C)CC)cc1)c1ccccc1 773813640 VNRCIBTWOMOWSP-HXUWFJFHSA-N 292.426 3.997 30 20 CHED COc1cccc(NN=C(C)CCCC(F)(F)F)n1 774411020 SHBQHRWYUCWIAH-UHFFFAOYSA-N 275.274 3.611 30 20 CHED CC#CCCCC(=O)Oc1cccc(C)c1Cl 774655385 TXRCKZIPMVCKEL-UHFFFAOYSA-N 250.725 3.747 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CC[C@@H](CO)C1 775552651 JKIZKYSGNCWFEK-HZPDHXFCSA-N 283.456 3.604 30 20 CHED C=CCCC[C@H](C)Nc1nccc2c1C(=O)OC2(C)C 775713340 IJHFWTWWUBVKFA-NSHDSACASA-N 274.364 3.644 30 20 CHED N#CCc1ccc(COC(=O)c2ccc3cc[nH]c3c2)cc1 776110029 HJHJLASIEFPFKN-UHFFFAOYSA-N 290.322 3.591 30 20 CHED CC(=NNc1cnnc2ccccc12)c1cccc(F)c1F 776260168 ZMPUUQRYASJRNA-UHFFFAOYSA-N 298.296 3.744 30 20 CHED C/C(=C\C(=O)Nc1ccccc1O[C@H](C)C#N)C(C)(C)C 780147406 GYPDKRHWEZCUGX-RSKUSDAESA-N 286.375 3.908 30 20 CHED Cc1cccc(C(=O)/C=C\c2cc(C(=O)O)cs2)c1C 782201328 SUMXNHPPFRHABM-SREVYHEPSA-N 286.352 3.959 30 20 CHED Cc1cc(CON=Cc2cccc(F)c2)ccc1C#N 783007478 UZLRIMIKTOZLOS-UHFFFAOYSA-N 268.291 3.557 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)[C@H]1CCCO1 783778379 XLLLCKHEOUFBEG-GFCCVEGCSA-N 272.270 3.672 30 20 CHED N#Cc1ccc(NN=Cc2ccc(Cl)nc2)cc1Cl 783875763 OMAVSXHXQLIHTG-UHFFFAOYSA-N 291.141 3.706 30 20 CHED C=CCC[C@H](C(=O)OCC(=O)CC1CC1)c1ccccc1 784827120 ZOAFCXQJNUSLLI-KRWDZBQOSA-N 286.371 3.649 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(F)cc1F 785767630 IGCVPDOZZCAEBQ-CQSZACIVSA-N 254.276 3.610 30 20 CHED C/C=C(/CC)C(=O)OCc1ccccc1C(C)(C)C#N 789226068 FTZATTHQCHYFDX-ACAGNQJTSA-N 271.360 3.887 30 20 CHED CC[C@H](C)NN=C(CC(F)(F)F)c1ccccc1 790183389 RLDQVRIVRSQJHH-JTQLQIEISA-N 258.287 3.731 30 20 CHED Cc1cccnc1NN=Cc1c(F)cccc1N1CCCC1 790189936 DZIYMTJGQGCCCZ-UHFFFAOYSA-N 298.365 3.575 30 20 CHED CCCC(=NNc1ncccc1C)c1cccc([N+](=O)[O-])c1 790194035 UDRBOKJREPFCRD-UHFFFAOYSA-N 298.346 3.915 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C[C@@H]1CCc2ccccc21 790307055 SUYUMSVMZSTILP-LBPRGKRZSA-N 299.305 3.862 30 20 CHED CC(CCc1ccco1)=NNc1cccc(F)c1[N+](=O)[O-] 790309203 YYDLTZUKGCSURV-UHFFFAOYSA-N 291.282 3.748 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H]1[C@H]1CCCO1 790794890 BCZJSUOWQVFAGU-HZPDHXFCSA-N 296.455 3.700 30 20 CHED O=C(/C=C\c1ccc2ccccc2c1)c1ccnc(O)c1 791431699 JMPWHEMMBGHGFL-VURMDHGXSA-N 275.307 3.837 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCCCCCF)cc1 792273807 UWTNZBKWTNEMGZ-UHFFFAOYSA-N 277.339 3.784 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1CCC(=O)c2ccccc21 792654757 BGBRZNHVWQBMAG-HNNXBMFYSA-N 299.370 3.620 30 20 CHED CC1(C)CCCN(C(=O)[C@H](F)CC2CCCCC2)[C@H]1C#N 793967891 GVAOEVKHNBXJKU-CABCVRRESA-N 294.414 3.836 30 20 CHED C=C[C@H]1CCCCN1C(=S)NCCCCC(F)(F)F 794988565 RAMSQFLNLZSBDI-NSHDSACASA-N 294.386 3.634 30 20 CHED N#Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 795778431 OJTPKRSLADOMMC-SFHVURJKSA-N 277.371 3.584 30 20 CHED N#Cc1ccc(C(=O)OCc2cc3ccccc3s2)o1 796139976 CJLRZGBYMCCTDX-UHFFFAOYSA-N 283.308 3.723 30 20 CHED COc1ccccc1CON=Cc1cscc1Cl 799117888 QURLABICRWCIHR-UHFFFAOYSA-N 281.764 3.961 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1c(F)cccc1F 799442588 QMIOPWGUSZXNNT-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C#CCCCCCC(=O)Oc1cnc2ccc(F)cc2c1 801023117 JFMSLWCJBXRJSY-UHFFFAOYSA-N 285.318 3.863 30 20 CHED C=CCC[C@@H](NC(=O)Cc1ccc(F)cn1)c1ccccc1 807113900 RCCGFSVCLHNVRL-QGZVFWFLSA-N 298.361 3.587 30 20 CHED C#C[C@@H](NC(=O)c1ccc(-c2ccco2)s1)C(C)(C)C 807878647 XVIBEYNVCLNODB-CQSZACIVSA-N 287.384 3.786 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)C(C)(C)C 807881951 SPZMQYFGCWXHPV-SMDDNHRTSA-N 277.795 3.608 30 20 CHED CCC(=NNc1nccnc1C1CCC1)c1ccccc1 807994273 OSIRDTJBWIVENI-UHFFFAOYSA-N 280.375 3.970 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@H](CC)c1ccccc1OC 808273013 QFTHHWKHJPOHAM-CYBMUJFWSA-N 296.798 3.540 30 20 CHED CCCCCCC[C@H](C)NC[C@@H]1CCOC[C@@H]1C 809707014 PEWJOFGATVXFNJ-JYJNAYRXSA-N 255.446 3.998 30 20 CHED C=CCOc1cccc(CNc2ccc3c(c2)C(=O)OC3)c1 809787637 AXZNUSSQPJBGRY-UHFFFAOYSA-N 295.338 3.534 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](c1ccccc1)C(C)C 810435182 AADBUHMFHZATNX-FQEVSTJZSA-N 291.394 3.724 30 20 CHED CC[C@H](NCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1O 811501785 XNPWTCOCIXPPEG-LBPRGKRZSA-N 298.308 3.755 30 20 CHED COc1cc(C=NOC/C=C/Cl)ccc1OC(C)C 811667657 ADOWUOHAOOELLY-JEVKGGJXSA-N 283.755 3.585 30 20 CHED C#C[C@@H](NC(=O)N[C@H](CC)CC=C)c1ccc(Cl)cc1 811914443 JYVPGIPRKMNUPR-HUUCEWRRSA-N 290.794 3.668 30 20 CHED Fc1ccccc1NN=CC1=Cc2ccccc2OC1 812459960 ILEMMXJRPOPQCS-UHFFFAOYSA-N 268.291 3.699 30 20 CHED CC/C=C(/C)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813221496 TUNLUZGZHQHFSG-KSHIFHCESA-N 282.265 3.633 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)N[C@@]2(C#N)CC2(C)C)cc1 813303307 MEBGVYKRWALFOT-UFUQCMIWSA-N 296.414 3.806 30 20 CHED Fc1cc(C=NOCC2CC2)ccc1OCC(F)(F)F 814243341 QZJMPAPGZODNOK-UHFFFAOYSA-N 291.244 3.527 30 20 CHED Cn1c(NN=C2CC[C@@H]2C2CCC2)nc2ccccc21 814807364 REGICSKASYRTKQ-GFCCVEGCSA-N 268.364 3.551 30 20 CHED CCCC(=NNc1cccc(F)n1)c1ccc(OC)cc1 814928141 YJVOTMNUDKNKCB-UHFFFAOYSA-N 287.338 3.846 30 20 CHED C=CCC(F)(F)C(=O)N(CC)c1ccc(OCC)cc1 814969339 UUSIRGQLVKLHPH-UHFFFAOYSA-N 283.318 3.650 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1c1ccccc1OC 815336513 CWCUVKLCWHUHCX-CYBMUJFWSA-N 295.329 3.570 30 20 CHED C=CCC(F)(F)C(=O)NCC1(c2cccc(Cl)c2)CC1 815673002 XGAKOMZLTPUJKT-UHFFFAOYSA-N 299.748 3.699 30 20 CHED Cc1ccc(C(C)C)c(OC(=O)c2ncc(C#N)cc2C)c1 815901565 VBGNMUFCPRYDLH-UHFFFAOYSA-N 294.354 3.913 30 20 CHED CCCCCCCCC(=O)N1Cc2cccnc2C1 816496499 MCLLPKRYTUUJGT-UHFFFAOYSA-N 260.381 3.674 30 20 CHED CC#CC(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 816802799 ZBBPWRLGHMSSES-UHFFFAOYSA-N 288.709 3.503 30 20 CHED C=CCCC[C@@H](C)NC[C@H](O)c1cccc(Cl)c1 819210164 TZSHQTMNYPNDLS-DOMZBBRYSA-N 267.800 3.708 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 819254488 KSGGVDWOQXOMOL-XYPYZODXSA-N 299.748 3.914 30 20 CHED CCCCCCCCCC(=O)NC1=NC[C@H](C)S1 819769617 WEQADAMGIZZNRM-LBPRGKRZSA-N 270.442 3.735 30 20 CHED C[C@H](NN=C1CCC[C@H](c2cccnc2)C1)c1ccncc1 819818678 OXJZRJYSUYDUSI-HOCLYGCPSA-N 294.402 3.841 30 20 CHED CC(C)CC[C@@H]1CC[C@H](NCc2ccc(C#N)cn2)C1 824230764 BFKJUHKWSLKKSB-ZBFHGGJFSA-N 271.408 3.648 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)=C1CCC1 825373324 IVCCONYAFYJZOS-UHFFFAOYSA-N 285.387 3.710 30 20 CHED CCCCCCCCCC(=O)N1CCC2(CCNC2)CC1 831722031 QLJNPVWOVZPRCD-UHFFFAOYSA-N 294.483 3.729 30 20 CHED CCc1nocc1/C=C1/CCc2cc(F)ccc2C1=O 834430118 GPLVVMIDTKNQHC-XFFZJAGNSA-N 271.291 3.589 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NN[C@@H](C)C(F)(F)F 834997826 KOZCFLVXVQYCMP-KXUCPTDWSA-N 250.308 3.729 30 20 CHED CC(=NNc1c(C)cccc1Cl)c1cnc(C)nc1C 835012225 YXQNQRCQCZUCAQ-UHFFFAOYSA-N 288.782 3.891 30 20 CHED COC(=O)c1ccc(NN=C2CCCC2(C)C)cc1F 835018738 SQQVDXZHCSGYCD-UHFFFAOYSA-N 278.327 3.590 30 20 CHED C=CC(C)(C)COC(=O)c1cnc(C(C)C)s1 835723740 AHHURKGZYOBUEN-UHFFFAOYSA-N 253.367 3.636 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C#CC(C)(C)C 837374648 DWHVPNLAJKXOAY-UHFFFAOYSA-N 296.414 3.592 30 20 CHED N#CCc1ccc(C(=O)OCC2CCC(F)(F)CC2)cc1 837600365 CYELDTMHHJXTJA-UHFFFAOYSA-N 293.313 3.735 30 20 CHED Cc1ccccc1COC(=O)[C@]1(C#N)CC12CCCC2 837909431 QRPRHYHNZOZTAS-QGZVFWFLSA-N 269.344 3.512 30 20 CHED CSc1cccc(F)c1C(=O)O[C@H]1CCC[C@H](C#N)C1 839451008 XAVLDLACWFBMMA-QWRGUYRKSA-N 293.363 3.787 30 20 CHED C#CCC1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCCCC1 839451405 YLQAVZWKTLADQD-CABCVRRESA-N 273.376 3.586 30 20 CHED N#CC1(CCOC(=O)c2cccc(C=O)c2)CCCCC1 840290882 XDGHEHAUTQBLCX-UHFFFAOYSA-N 285.343 3.520 30 20 CHED N#CC1(CCOC(=O)c2ccnc(C3CC3)c2)CCCCC1 840428256 POKZKHLHUGVEJN-UHFFFAOYSA-N 298.386 3.980 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)/C=C\C2CCCC2)c1 843874418 JVPPHJLIYHWJHM-POHAHGRESA-N 295.386 3.817 30 20 CHED CC1(C)C[C@@H](O)c2cc(-c3ccc(C#N)s3)ccc2O1 844232461 NUTVEHBSTLXKOD-CYBMUJFWSA-N 285.368 3.881 30 20 CHED Cn1c([C@@H](C#N)C(=O)[C@H]2CC[C@H](C)CC2)nc2ccccc21 845436883 NNMBPXQCXZGXGT-IHRRRGAJSA-N 295.386 3.576 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](C)c1cc2ccccc2s1 845621336 FSBQVBPWLNCXFE-MNOVXSKESA-N 290.388 3.768 30 20 CHED CC[C@H](C#N)C(=O)N(CC(C)C)c1ccc(C)cc1C 846300519 NKDPDRZNFWXBRV-OAHLLOKOSA-N 272.392 3.842 30 20 CHED CCCCCCCC(=O)N1Cc2ccc(OC)cc2C1 847204677 AASCMMLAGCTLNK-UHFFFAOYSA-N 275.392 3.898 30 20 CHED CCOc1ccc(OC(=O)CC2(C#N)CCCCC2)cc1 850744613 BBUQSCKYXOKSRO-UHFFFAOYSA-N 287.359 3.855 30 20 CHED COC(=O)c1oc(/C=C/C(=O)C2CCCCC2)cc1C 853002021 FDHLRDRNTVUMGO-CMDGGOBGSA-N 276.332 3.537 30 20 CHED C=CC[C@H]1CCCCC1=NNc1cncc(Cl)n1 853290216 YMALIMKKMLXOFQ-JTQLQIEISA-N 264.760 3.664 30 20 CHED C=C(Cl)CSCC(=O)N[C@@H](C)CCCCC 853784140 YIKIVRGJWJTFPH-NSHDSACASA-N 263.834 3.557 30 20 CHED CN(C(=O)C#CC1CC1)[C@@H]1CCCC[C@H]1c1ccccc1 854952962 PUSWDWHDUMAHMW-ZWKOTPCHSA-N 281.399 3.585 30 20 CHED CCCCCCCNC(=O)c1oc(CCC)nc1C 862355151 FWYCZJZTVVTXDK-UHFFFAOYSA-N 266.385 3.636 30 20 CHED COC(=O)CC1CCC(=NN[C@H]2CCCCC2(C)C)CC1 863110273 NNGVAIPBVYYAML-WUJWULDRSA-N 294.439 3.654 30 20 CHED Cc1c(NN=CC(C)(C)C(C)(F)F)cccc1C(=O)O 863124282 SVBSNVUSZXAQNL-UHFFFAOYSA-N 284.306 3.772 30 20 CHED CC(C)(C#N)CCCOc1ccccc1N=S(C)(C)=O 864047564 MGHPVOXSYDCDFJ-UHFFFAOYSA-N 294.420 3.754 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCc2cc(F)ccc21 878397837 YTVWYBAVBXYFKC-AWEZNQCLSA-N 261.340 3.532 30 20 CHED C=C1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)CC1 898792089 YELXXNUASAAOOH-SJORKVTESA-N 291.435 3.541 30 20 CHED CC(C)CC(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901379960 TUYJWKAZXSJSEO-UHFFFAOYSA-N 276.163 3.757 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 902916820 DFUUYBDFCVUWOY-SECBINFHSA-N 298.173 3.761 30 20 CHED N#CCC[C@H](N[C@H]1CCC[C@@H]2C[C@H]12)c1ccccc1 903128482 ZKTWNBGUWOZTRA-QZWWFDLISA-N 254.377 3.810 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1N=S(C)(C)=O 905879265 QGHOTQBGPICBHS-GFCCVEGCSA-N 294.420 3.587 30 20 CHED Cc1ccc(C)c(C=NNc2cccc([N+](=O)[O-])c2)c1 916269174 WIGKEEXPGLPPRI-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CCC(C)=NNC(=S)Nc1cccc(Cl)c1C 916298621 IWGJLXKAIDVHMA-UHFFFAOYSA-N 269.801 3.721 30 20 CHED COc1cc2c(cc1C=NNc1cccc(C)c1)O[C@H](C)C2 916540391 UPRBELKDPMQSLN-CYBMUJFWSA-N 296.370 3.773 30 20 CHED C=C(Cl)COC(=O)CSc1ccccc1Cl 916610066 RDBKPODRYUMOID-UHFFFAOYSA-N 277.172 3.728 30 20 CHED C=CCN(C(=O)Nc1ccccc1OC(C)C)C(C)C 916709176 PAQIKRIFDHNUJG-UHFFFAOYSA-N 276.380 3.902 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)Cc2ccccc21 916993942 OAWAZROIAGSTNA-CYBMUJFWSA-N 291.354 3.709 30 20 CHED CCCCCCCCCN(C)C(=O)c1n[nH]c2c1CCC2 918398139 WPENJUCVWZEFGL-UHFFFAOYSA-N 291.439 3.721 30 20 CHED C=C(Br)CN1CCC[C@H]1CCc1ccccc1 919648400 PFEPKABQSRMEOM-HNNXBMFYSA-N 294.236 3.992 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC[C@H](C#N)C1)c1ccccc1 921561494 HYVOACDMANVGFX-NVXWUHKLSA-N 297.402 3.639 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 930011680 JBSQVVWOLKUAQB-AWEZNQCLSA-N 296.414 3.963 30 20 CHED CCSc1ccccc1CN(C1CC1)[C@@H](C)C#N 930974683 XNWHBNXNFVSUDI-LBPRGKRZSA-N 260.406 3.675 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1CSc2ccccc21 933110332 LGRKCVKEAAEIMZ-AAEUAGOBSA-N 261.390 3.552 30 20 CHED CC(C)C[C@@H]1CN(C)CCN1CCC1(C#N)CCCCC1 933254772 VUEBXIUDLKAUHF-QGZVFWFLSA-N 291.483 3.513 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1-c1cn[nH]c1 935342519 GIJLPODLBPZGDM-GFCCVEGCSA-N 269.348 3.618 30 20 CHED N#Cc1ccc(-c2nnc(CCc3ccc(F)cc3)o2)cc1 1117214095 JYZVFGWDNWPISN-UHFFFAOYSA-N 293.301 3.533 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1sccc1C#N 1129424390 LDXUDUZZNQTHQC-AAEUAGOBSA-N 276.405 3.566 30 20 CHED C=C(CNC(=O)c1ccc2cnccc2c1)c1ccccc1 1129475694 MEXXNBCVAIHNLW-UHFFFAOYSA-N 288.350 3.678 30 20 CHED N#Cc1ccc2c(c1)N(Cc1cc(Cl)ccc1F)CC2 1168924648 FUVDNBKMJFKNFA-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C[C@@H]1C[C@@H](CCNc2nccnc2C#N)CC(C)(C)C1 1186316689 ZESUGHAFAFHHFX-CHWSQXEVSA-N 272.396 3.613 30 20 CHED N#Cc1ccc(F)c(NC(=O)NC2(c3ccccc3)CC2)c1 1219050104 PEQCMWXRCXGYKU-UHFFFAOYSA-N 295.317 3.508 30 20 CHED N#CC1(c2ccccc2)CC(NC2(C3CCC3)CC2)C1 1261515487 JLAVAFDMNBFPCL-UHFFFAOYSA-N 266.388 3.533 30 20 CHED N#C[C@H](C(=O)[C@@H](F)CC1CCCCC1)c1cccc(F)n1 1263380984 GZZWXYBYCLFZFR-STQMWFEESA-N 292.329 3.705 30 20 CHED C[C@H](CCc1ccc(F)cc1)C(=O)O[C@H]1CC[C@@H](C#N)C1 1263385948 GGKGIABPABTGED-XPKDYRNWSA-N 289.350 3.630 30 20 CHED CCC1(CC)CCCN(C(=O)c2cc(C#N)ccc2C)C1 1300808943 ZJGQJNRJNXHKFD-UHFFFAOYSA-N 284.403 3.909 30 20 CHED C=C(CNC(=O)N[C@@H](C1CCC1)C1CC1)c1ccccc1 1312820117 JOPKXQWJEDGWOU-KRWDZBQOSA-N 284.403 3.578 30 20 CHED Cc1ccc2[nH]c(C(=O)N(C)[C@H](C)CC#N)c(Cl)c2c1 1318256672 MVCFUDUWRNOCMW-SNVBAGLBSA-N 289.766 3.504 30 20 CHED COc1cccc2cc(C=NNCc3ccc(F)cc3)oc12 1319192452 MYTCICGPPVQWHX-UHFFFAOYSA-N 298.317 3.704 30 20 CHED C=C[C@H](COC)N[C@@H](CCC)CCc1ccccc1 1321241048 MFSXXZNIGLIGDQ-SJORKVTESA-N 261.409 3.579 30 20 CHED CC[C@H](C)c1nnc([C@H](C)Cc2ccc(C#N)cc2)o1 1326985919 GWOLGZLZRPSFKZ-NWDGAFQWSA-N 269.348 3.801 30 20 CHED C=CCC1(NC(=O)c2csc(C#N)c2)CCCCC1 1328167124 PKVDJAJSSXHIFU-UHFFFAOYSA-N 274.389 3.629 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C(C)(C)c1cccc2ccccc12 1339290236 FAHNGRJPJFRTIS-AWEZNQCLSA-N 294.398 3.878 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(Cl)n1 1344636800 DCONBVVXZWQVJL-LLVKDONJSA-N 279.771 3.698 30 20 CHED N#CC[C@H](OC(=O)[C@@H]1CCc2cc(F)ccc21)c1ccco1 1345977770 WKHJHDVQILTYKO-ZBFHGGJFSA-N 299.301 3.647 30 20 CHED C=C(CC)C(=O)N(C)[C@@H](CC)c1cccc(OC)c1 1346983033 APPDLHWBOHESIU-HNNXBMFYSA-N 261.365 3.571 30 20 CHED CC(C)c1scnc1C(=O)O[C@H](CC#N)c1ccco1 1350311364 JUQAHCSAJNEXIH-LLVKDONJSA-N 290.344 3.671 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccsc1C#N 1435163783 ZDNVWOUTQXMVDV-NWDGAFQWSA-N 276.405 3.566 30 20 CHED CCCOc1cccc(Nc2ncc(C#N)cc2F)c1 1458097634 NYZDYHFBKIWPPQ-UHFFFAOYSA-N 271.295 3.625 30 20 CHED CCC(=O)c1cccc(NC(=O)c2cc(C#N)ccc2F)c1 1458101532 IYNLYVJHYJIFKG-UHFFFAOYSA-N 296.301 3.542 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@@H]2CCC2CCCC2)n1 1458258371 YUWWBUVYZWDQOR-MRXNPFEDSA-N 298.434 3.850 30 20 CHED N#Cc1ccc2c(c1)N(Cc1cccc(F)c1Cl)CC2 1459887851 BTRRDSSCYTUXMI-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=C(Br)CNCc1ccccc1OCC(C)C 1461170662 MRVQMKBAABPWLC-UHFFFAOYSA-N 298.224 3.720 30 20 CHED C[C@@H]1C[C@@H](OC(=O)Cc2cccc(C#N)c2)CC(C)(C)C1 1461858729 MVWGZIZDVNUBMU-CZUORRHYSA-N 285.387 3.859 30 20 CHED CC(C)CC1(C(=O)O[C@@H](CC#N)c2ccco2)CCC1 1518018250 PXRIVEYXDCAVLJ-AWEZNQCLSA-N 275.348 3.994 30 20 CHED C[C@@H](CC1CCCCC1)Nc1ncc(C#N)cc1F 1559182707 QVDQNORYDCBSHP-NSHDSACASA-N 261.344 3.863 30 20 CHED CCc1nc(C#N)cc(SCC2(C)CCCCC2)n1 1559194343 MRRNEUURUJFERN-UHFFFAOYSA-N 275.421 3.973 30 20 CHED CN(CCc1ccc(C#N)cc1)Cc1cc2ccccc2o1 1559589878 GEIBUBWQLMEXFD-UHFFFAOYSA-N 290.366 3.979 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@H](C)C[C@H]1CC 1593808178 PQTWCSIQCBMUSA-DGCLKSJQSA-N 296.846 3.779 30 20 CHED Cc1nc(N[C@@H](CCC#N)c2ccccc2)ccc1C(=O)O 1610560308 MAZQAWJCOKOHFT-HNNXBMFYSA-N 295.342 3.545 30 20 CHED Cc1csc(CNc2ncc(C#N)cc2Cl)c1 1639936753 BDVFWGKVHMJHKV-UHFFFAOYSA-N 263.753 3.589 30 20 CHED Cc1nc(C#N)cc(NCC2(C)CCC(C)(C)CC2)n1 1640036435 YPTDMFOAHSERJB-UHFFFAOYSA-N 272.396 3.675 30 20 CHED CC(C)[C@H]1CCCCCN1CCOc1ccccc1C#N 1642452480 VSTOUINMUQBNKS-QGZVFWFLSA-N 286.419 3.838 30 20 CHED CC(C)[C@H]1CCC[C@@H](Nc2ncc(C#N)cc2F)C1 1650733239 UBCDDWSHUHHRQZ-QWHCGFSZSA-N 261.344 3.719 30 20 CHED C[C@@H](CCO)Nc1ccc(Oc2ccccc2)c(C#N)c1 1652270735 SEBOGCNRSPIIGG-ZDUSSCGKSA-N 282.343 3.533 30 20 CHED COc1cc(C#N)ccc1CN(CC1CC1)c1ccccc1 1653660281 ZWWSSANTRWZINV-UHFFFAOYSA-N 292.382 3.983 30 20 CHED CCN(CCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 1653743415 KEXSMSXBPVHNES-UHFFFAOYSA-N 286.325 3.905 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(C#N)cc1C 1653802718 IYVCJRCOEIYVNC-UHFFFAOYSA-N 280.371 3.902 30 20 CHED CC[C@@H](NCc1ccc(F)c(C#N)c1)[C@H]1CC1(C)C 1659060112 UDUPOSFPPCMKBG-UKRRQHHQSA-N 260.356 3.612 30 20 CHED CCCC[C@@H](C)[C@H](C)NCCc1ccc(C#N)cc1 1660257982 AREFRNHPTXYILP-CABCVRRESA-N 258.409 3.905 30 20 CHED CCCC[C@@H](C)[C@H](C)NCc1ccc(OC)c(C#N)c1 1660584363 ZEOAQPPHCWEZIK-KGLIPLIRSA-N 274.408 3.871 30 20 CHED CC(F)(F)c1ccccc1NC(=O)N1CCC(C#N)CC1 1670124086 YMCJBLKGPPIDAT-UHFFFAOYSA-N 293.317 3.566 30 20 CHED CC(C)c1cccc(C=NNc2ccc(CC(=O)O)cc2)c1 1776085608 YZUCCFLYIRXWAC-UHFFFAOYSA-N 296.370 3.883 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2cccc(Cl)c2)C1 1776155552 ABWVUPANDSWYOX-MRXNPFEDSA-N 293.794 3.583 30 20 CHED Cc1ccc(NC(=O)c2ccccc2SCC#N)cc1 29486394 QBBQATUYQSTKMW-UHFFFAOYSA-N 282.368 3.863 30 20 CHED N#CCOc1ccc(CNCc2cccc(Cl)c2)cc1 48241891 QVVBBSYZVVUJBP-UHFFFAOYSA-N 286.762 3.532 30 20 CHED C[C@H](Nc1ccsc1[N+](=O)[O-])c1ccc(C#N)cc1 49065581 KFUVXJPGLYWSKI-VIFPVBQESA-N 273.317 3.701 30 20 CHED C#Cc1cccc(NC(=O)CCc2ccccc2C)c1 51986496 NQCNGXPMSGPBRG-UHFFFAOYSA-N 263.340 3.548 30 20 CHED N#Cc1ccsc1C(=O)Nc1cccc(C(F)(F)F)c1 52027796 WDIITXWVXJCVPX-UHFFFAOYSA-N 296.273 3.891 30 20 CHED C[C@H](NCc1cccc2[nH]ccc12)c1ccc(C#N)cc1 70939083 CVVDQBATRUNBFY-ZDUSSCGKSA-N 275.355 3.890 30 20 CHED C[C@@H](NC(=O)N(C)C1CCCCC1)c1cccc(C#N)c1 74916842 ZQKDABGYUHARQC-CYBMUJFWSA-N 285.391 3.593 30 20 CHED Cc1ccc(SCc2cn3ccccc3c2C#N)nc1 77904526 BHBMRFDQXKYSDV-UHFFFAOYSA-N 279.368 3.807 30 20 CHED N#CCN(C(=O)Cc1cccc2ccccc12)C1CCCC1 78003123 SQQNQWGDRDQRJA-UHFFFAOYSA-N 292.382 3.677 30 20 CHED CCCCc1ccc(NC(=O)N(CC)CCC#N)cc1 78440120 TUHUJMUKVHSRQS-UHFFFAOYSA-N 273.380 3.797 30 20 CHED N#CCc1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1 79512477 LBXYDCXECAUMPR-KRWDZBQOSA-N 297.402 3.939 30 20 CHED C[C@@](C#N)(NC(=O)c1cccc2[nH]ccc12)C1CCCCC1 81750760 LFCAUMYMUFVOBL-SFHVURJKSA-N 295.386 3.760 30 20 CHED CCC[C@@H](C#N)NC(=O)C(C)(C)CCCc1ccccc1 92004223 VBRADXKVTGZFOY-INIZCTEOSA-N 286.419 3.844 30 20 CHED CCS[C@H]1CC[C@@H](N(C)CC(C)(C)CCC#N)C1 93869074 ZWBKSYJTTYZKQK-KGLIPLIRSA-N 268.470 3.922 30 20 CHED Cc1cc([C@@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)c(C)o1 94591851 KQUCULNOJVEABD-SNVBAGLBSA-N 285.303 3.849 30 20 CHED CN(CC#N)CCSc1cc(Cl)ccc1Cl 104959343 QQKLWRVSAZNERD-UHFFFAOYSA-N 275.204 3.541 30 20 CHED CC(C)C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccccc1 105086514 HXNVOZPONAWIIM-QGZVFWFLSA-N 299.418 3.719 30 20 CHED C=CCCc1nc(-c2cccc(Br)c2)no1 109473658 DGDKUDHHYPRCMF-UHFFFAOYSA-N 279.137 3.618 30 20 CHED C=C(CNCc1cccc(OCC)c1)c1ccccc1 110057537 FISCBAANNLCFJY-UHFFFAOYSA-N 267.372 3.888 30 20 CHED C=CCCCSc1nnc(-c2cccnc2)n1CC=C 117549431 NZFPNIOBMADQEC-UHFFFAOYSA-N 286.404 3.584 30 20 CHED C=C(C)CNCc1ccc(OCc2ccccc2)cc1 122520164 ARQKYHRKYCPDRV-UHFFFAOYSA-N 267.372 3.931 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 123960686 YHCJOVVKGSRFFO-SJORKVTESA-N 292.382 3.773 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cn1 132261907 XWLHEIKMRBUAJJ-ZDUSSCGKSA-N 294.354 3.995 30 20 CHED C[C@H](C#N)CN[C@H](CCc1ccccc1)Cc1ccccc1 133037274 KJEJPNDMEWWGBQ-YLJYHZDGSA-N 292.426 3.980 30 20 CHED C=CCCCCCN(C)[C@H](C)c1nc(C(C)C)no1 150874137 FLYXBFAPIXHKHR-CYBMUJFWSA-N 265.401 3.932 30 20 CHED N#Cc1csc(CN2CC[C@@H](c3ccccc3)C2)c1 155076855 NHRRKWOOXVEEOD-OAHLLOKOSA-N 268.385 3.609 30 20 CHED C=CCC[C@@H](CC)N[C@@H](COC)c1ccc(C)o1 156483671 QPIVXZIYGGYWBZ-KGLIPLIRSA-N 251.370 3.610 30 20 CHED C=C(C)CNC(=O)N(C)CCc1cccc2ccccc12 156586629 SBQBUCUUNYWZPT-UHFFFAOYSA-N 282.387 3.600 30 20 CHED CCCCCCCCCCN1CCC(NC(C)=O)CC1 157685205 YJCRQMSECFHXTM-UHFFFAOYSA-N 282.472 3.728 30 20 CHED C=CC[C@H](C)NCc1ccc(C)cc1Br 159636195 XGPNIKHSPREKKA-NSHDSACASA-N 268.198 3.812 30 20 CHED C=CCc1cc(CN2CCC(C=C)CC2)c(O)c(OC)c1 164317622 DJWYZOQYVUGGFJ-UHFFFAOYSA-N 287.403 3.527 30 20 CHED COc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1OC 170985704 UQUWGPMBRJPOIR-DHDCSXOGSA-N 294.350 3.835 30 20 CHED C=C(C)COC(=O)c1csc(Cc2ccc(F)cc2)n1 171141189 JVLFOUHGNDIGCH-UHFFFAOYSA-N 291.347 3.606 30 20 CHED N#CCCCOC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 171523854 XTLSICXVJOKPRZ-RYUDHWBXSA-N 298.169 3.944 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1 171947053 DMLPULFWCIJKIG-UHFFFAOYSA-N 292.338 3.599 30 20 CHED C=CCOCCCC(=O)Nc1ccc(CCC)cc1 173093488 RGEVFUHTWHDKDI-UHFFFAOYSA-N 261.365 3.560 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@H](C)[C@H]2C)c1 175325363 LETAYLGWIAWCBZ-UONOGXRCSA-N 288.391 3.904 30 20 CHED COC(=O)c1sccc1CSc1ccccc1C#N 176754868 LONMPHNSLKXRSG-UHFFFAOYSA-N 289.381 3.699 30 20 CHED CC(C)(CNCc1cc(C#N)cs1)Cc1ccccc1 177703141 MEKSKLZCGQZRQD-UHFFFAOYSA-N 284.428 3.978 30 20 CHED C=CCC[C@@H](NC(=O)N(CC)C1CC1)c1ccccc1 178453144 VNCQMTKDJOSRBE-MRXNPFEDSA-N 272.392 3.888 30 20 CHED Cc1occc1SCCOc1ccccc1C#N 181286688 HBNUBYVXPSYDLN-UHFFFAOYSA-N 259.330 3.631 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccccc1Cl 182604117 MFNACFRQXJCMQT-LBPRGKRZSA-N 265.784 3.744 30 20 CHED C=CCCC[C@@H](C)NCC1=Cc2ccccc2OC1 182683671 GIXPBNPSKQHSDO-CQSZACIVSA-N 257.377 3.797 30 20 CHED C=CCCC(=O)Nc1ccc(OC(F)F)c2cccnc12 184314882 DVKCTCDTGFYIAN-UHFFFAOYSA-N 292.285 3.741 30 20 CHED CCSc1cccc(NC(=O)N[C@H](CC)CC#N)c1 184566264 VMEUJNXKUUBOMD-LLVKDONJSA-N 277.393 3.612 30 20 CHED CC#CCCCC(=O)N1CCCSc2ccccc21 185005822 OOVYABFYILSMID-UHFFFAOYSA-N 273.401 3.709 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(F)ccc1O)c1ccccc1 187272087 GUQKXZKWWOCCAF-CQSZACIVSA-N 285.318 3.830 30 20 CHED CC[C@H]1[C@H](C)CCN1Cc1cccc(OCCCC#N)c1 187579555 IQVATVMLNIIFRD-QAPCUYQASA-N 286.419 3.990 30 20 CHED CC(C)Oc1cccc([C@@H](C)OC(=O)C(C)(C)C#N)c1 187882198 HRECWQBYANWVTR-GFCCVEGCSA-N 275.348 3.628 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(Cl)c1 189775557 HWZZUGGARWSLMV-CQSZACIVSA-N 251.757 3.559 30 20 CHED C[C@@H](SCCCNc1ncccn1)c1cccc(C#N)c1 189847343 CSCDZWAGMWOVTM-CYBMUJFWSA-N 298.415 3.645 30 20 CHED Cc1cc(OC[C@H](C#N)CCC#N)c2nc(C)ccc2c1 190676064 LENXIVITTMMAOK-AWEZNQCLSA-N 279.343 3.674 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cc(C#N)n(C)c2)o1 191434204 AZNYIPZYUXGOKH-SUMWQHHRSA-N 297.402 3.771 30 20 CHED C#CCCCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 192323356 FZLHXZSPGCRFHF-INIZCTEOSA-N 297.423 3.952 30 20 CHED N#Cc1cccc(CN[C@H]2CCCNc3ccccc32)c1 192653513 NVFURTJAEHTBII-SFHVURJKSA-N 277.371 3.595 30 20 CHED C=C(C)COC(=O)c1cnc(-c2ccccc2)s1 193339299 IODXDTJOHFEUDC-UHFFFAOYSA-N 259.330 3.543 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2cnn(C(C)C)c2)c1 194596916 NXQYEFJTNAKMAL-BQYQJAHWSA-N 268.360 3.977 30 20 CHED CSc1ccccc1NC(=O)/C=C\c1ccccc1C#N 213192270 WKZGEFNYCPCYRI-KHPPLWFESA-N 294.379 3.932 30 20 CHED CCCC[C@H](CCC)NC[C@H](O)c1ccc(C#N)cc1 226024869 KIMLEFROGMKKSO-IRXDYDNUSA-N 274.408 3.540 30 20 CHED CCC(CC)(CNCc1ccc(C#N)cc1)SC 230708049 UFKFJYLPKAVEJI-UHFFFAOYSA-N 262.422 3.570 30 20 CHED C#CCCCNc1cccc(Cl)c1Br 236052258 QVBOMTMAUPWHST-UHFFFAOYSA-N 272.573 3.928 30 20 CHED C[C@@H]1CCCN(C(C)(C)CN[C@H](C)c2cccc(C#N)c2)C1 245937856 UIBRVKSNCGJYKU-HZPDHXFCSA-N 299.462 3.719 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@H]2c2cccs2)n1 247915076 MJCJUALSAYTMEZ-AWEZNQCLSA-N 283.400 3.973 30 20 CHED O=C(/C=C\c1csnn1)c1cccc(Cl)c1Cl 254989194 ZZKHPXQTUWRKLU-PLNGDYQASA-N 285.155 3.741 30 20 CHED COc1ccc(/C=C\C(=O)c2cccs2)cc1F 255027448 FKYDMWDFAKEFFH-XQRVVYSFSA-N 262.305 3.792 30 20 CHED C/C(=C/C(=O)O[C@@H](C)c1ccc(C#N)cc1)C1CC1 255543081 WUDYTHNRSFRNSL-MMRAYRKESA-N 255.317 3.519 30 20 CHED CCc1ccc(C=NOCc2ccc(C#N)cc2OC)cc1 255718922 YPUGNQUQQXELEX-UHFFFAOYSA-N 294.354 3.680 30 20 CHED N#Cc1cccc(N[C@H](C[C@H]2CCOC2)c2ccccc2)n1 270009032 ACTSBFRAGPKDNN-RHSMWYFYSA-N 293.370 3.533 30 20 CHED C#CCCCC(=O)N1CCCSc2cc(C)ccc21 277383154 CYZHUVJZWQPNGG-UHFFFAOYSA-N 273.401 3.627 30 20 CHED CN(Cc1ccc(Br)cc1)[C@H]1CC[C@H](C#N)C1 278746281 WTNOYPLTEWAVBF-JSGCOSHPSA-N 293.208 3.573 30 20 CHED Cc1oc2ccc(NC(=O)CC(C)(C)C#N)cc2c1C 278910411 ZTRAAYCYPVMQSF-UHFFFAOYSA-N 270.332 3.928 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)C1CC1 279321846 DJJHDWVXADBFLJ-CQSZACIVSA-N 257.377 3.637 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(CC1CCC1)CC1CC1 280436744 CTIBQBZVEFCNCE-UHFFFAOYSA-N 297.402 3.911 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)CC(C)(C)C#N 281243651 QEZCZSHBLPAVRI-UHFFFAOYSA-N 272.392 3.998 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C2CC2)cnc1Cl 281465532 SXQZSKCHFZIXRZ-LBPRGKRZSA-N 278.783 3.697 30 20 CHED CCc1occc1C(=O)Nc1cccc(OCCCC#N)c1 281944404 JAPCPSIGNGRQST-UHFFFAOYSA-N 298.342 3.777 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCc2c[nH]c3ccc(F)cc23)C1 282961609 ZRSRMCUEWMDPLN-XJKSGUPXSA-N 299.393 3.912 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)c1c(F)cncc1F 285726942 QPGVCSXOJJGMLA-QWRGUYRKSA-N 254.324 3.755 30 20 CHED C=CCSCCNC(=O)Nc1cccc(F)c1Cl 287752175 PHBVDRMFAHOIMQ-UHFFFAOYSA-N 288.775 3.520 30 20 CHED N#CCCCC(=O)N1CCCc2cc(Cl)cc(Cl)c21 291756382 ODUBPHDDVIZHHI-UHFFFAOYSA-N 297.185 3.966 30 20 CHED C=CC[C@H](C(=O)N(C)Cc1occc1C)c1ccccc1 292595423 RFJIKHMGWNZBLE-INIZCTEOSA-N 283.371 3.906 30 20 CHED C=C(C)CN1CCC(c2nc(C(F)(F)F)cs2)CC1 296426547 VDRGMQOVFFKYEC-UHFFFAOYSA-N 290.354 3.917 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCc2cccc(O)c21 297154170 BBNTYYMWUVUHMJ-MRXNPFEDSA-N 295.382 3.734 30 20 CHED C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1F 297980286 QNMNEJHTHIXDRF-PXAZEXFGSA-N 287.334 3.904 30 20 CHED N#C[C@@]1(C(=O)N2CCCc3ccc(F)cc32)CC12CCCC2 298661200 XARKSAYZTFJLNI-GOSISDBHSA-N 298.361 3.579 30 20 CHED Cc1ccccc1[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 299671978 NJGYYXIIPYDZCK-MRXNPFEDSA-N 296.414 3.785 30 20 CHED CC(C)COc1ccc(CCNc2ncccc2C#N)cc1 301181289 IANCBZOOFGRNGA-UHFFFAOYSA-N 295.386 3.643 30 20 CHED CCc1nc(Oc2ccccc2C#N)c2ccsc2n1 301827487 NQAWCZHQWKXMGG-UHFFFAOYSA-N 281.340 3.918 30 20 CHED COc1ccccc1OC[C@@H](C)CNc1ccc(C#N)cc1 301856534 BBSVJNIMQSHUNI-AWEZNQCLSA-N 296.370 3.694 30 20 CHED C[C@H]1CC[C@@H](C)N1c1ccc(C#N)c(C(F)(F)F)c1 301904958 PYHMDXLWOHIDBH-AOOOYVTPSA-N 268.282 3.954 30 20 CHED N#Cc1c(NCc2ccc(Cl)s2)nc2ccccn12 302098107 OUXRIIHSNZSFDU-UHFFFAOYSA-N 288.763 3.533 30 20 CHED Cc1ccc(Sc2cc(C#N)ccc2[N+](=O)[O-])cc1 302218066 QHLNENNCBNLLJN-UHFFFAOYSA-N 270.313 3.926 30 20 CHED Cc1cccc(Sc2c(C#N)cccc2C#N)c1 302887533 NWZKFVGUBFXDHW-UHFFFAOYSA-N 250.326 3.890 30 20 CHED CCCOc1ccc(Nc2c(C#N)cccc2C#N)cc1 302887832 OCEAWAUOHKELQL-UHFFFAOYSA-N 277.327 3.962 30 20 CHED C=C(C)CSc1cc2c(cc1Cl)OCCO2 303157628 OFMPZFUCXWZOSP-UHFFFAOYSA-N 256.754 3.779 30 20 CHED CC(C)(C/N=C(/N)Nc1ccccc1)c1ccc(F)cc1 303989796 XWNJDQHRLLVHCV-UHFFFAOYSA-N 285.366 3.530 30 20 CHED COc1ccc(N/C(N)=N/C[C@H](C)c2cccc(C)c2)cc1 304786556 ILJSYRIMGNHIMR-AWEZNQCLSA-N 297.402 3.534 30 20 CHED Cc1ccccc1CCC(=O)Nc1ccc(C#N)c(F)c1 307967843 TZIQKCCCPDPGEZ-UHFFFAOYSA-N 282.318 3.577 30 20 CHED Cc1cc(C#N)cc(NCc2cccc3cc[nH]c23)c1 308161173 ZTPODXIWXNICPN-UHFFFAOYSA-N 261.328 3.960 30 20 CHED CC[C@H](C)N(CC)Cc1ccc(Br)cc1C#N 310296772 PBTNWXZMWKRUJC-NSHDSACASA-N 295.224 3.941 30 20 CHED CC(C)(C)[C@H]1CCN(c2nc(Cl)c(C#N)s2)C1 310565212 XGCUBJPDLBIPSF-QMMMGPOBSA-N 269.801 3.541 30 20 CHED N#Cc1ccc(Oc2nccc(C#N)c2Cl)c(Cl)c1 311818378 PVPPJMNAKUXHPN-UHFFFAOYSA-N 290.109 3.924 30 20 CHED C#C[C@H](NCc1c(OC)ccc2ccccc12)C(C)C 312152904 BBYLYNUVVCZQBH-KRWDZBQOSA-N 267.372 3.596 30 20 CHED CC(C)(C)CCCNc1ccc([N+](=O)[O-])c(C#N)c1 313471329 KGATXYHEFDBCDW-UHFFFAOYSA-N 261.325 3.705 30 20 CHED N#Cc1cc(Oc2ccc(-c3ccccc3)cc2)ncn1 315081641 JHOKCNAHIVKBKP-UHFFFAOYSA-N 273.295 3.808 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1oc2ccccc2c1C 320630042 KFCDODLXHIPSGA-ZIAGYGMSSA-N 273.376 3.719 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C23CC4CC(CC(C4)C2)C3)C1 328754793 SNBMACJPZJGIPK-XOVPDBADSA-N 290.407 3.667 30 20 CHED Cc1nccc(CC/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 328833997 LNVQJEDLMCPEDE-OFQRWUPVSA-N 287.407 3.643 30 20 CHED CCc1noc(C)c1/C(O)=N/C1CCC2(CC1)CC2 329948995 LDRKLBBMDOKPGO-UHFFFAOYSA-N 262.353 3.573 30 20 CHED CC(C)c1cccc(CNC(=O)C2(C#N)CCCC2)c1 331059985 NFCVURBLWLEZOV-UHFFFAOYSA-N 270.376 3.510 30 20 CHED CCN(C(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 334386817 OSJZWDCHVRBWGP-UHFFFAOYSA-N 284.384 3.706 30 20 CHED CSc1cccc(NC(=O)c2cc(C#N)cs2)c1C 334530366 ICXNGPUDENCZMO-UHFFFAOYSA-N 288.397 3.902 30 20 CHED CC1(C)Cc2cc(C(=O)Nc3sccc3C#N)ccc2O1 335465914 YTJVEVUPMXVTDM-UHFFFAOYSA-N 298.367 3.586 30 20 CHED C[C@@H]1CCN([C@H](C(=N)O)c2ccc(C#N)cc2)CC12CCC2 335946969 CJYNTXWPZOURML-CJNGLKHVSA-N 297.402 3.647 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cc(Cl)ccc1F 336151990 OEFWICVNNLYNED-UHFFFAOYSA-N 278.670 3.505 30 20 CHED Cc1cc(F)cc2c1N(C(=O)c1cc(C#N)oc1C)CCC2 336154718 CWPBZRRGQJLTHP-UHFFFAOYSA-N 298.317 3.500 30 20 CHED C[C@H]1CC[C@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)C1 336197108 QLJKXBOAZRJCKA-BBRMVZONSA-N 282.387 3.502 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2ccc(C#N)s2)cc1 336205618 RPMIGAAZTGTTIW-LBPRGKRZSA-N 284.384 3.761 30 20 CHED CC1CCN(Cc2ccc(Br)cc2C#N)CC1 336708768 OBNSGEMJHRTLRJ-UHFFFAOYSA-N 293.208 3.553 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(F)cn1)c1ccccc1 336997469 AOKSQNJPTGYCDK-OAHLLOKOSA-N 284.334 3.658 30 20 CHED N#CCCCCNc1ncnc2oc(-c3ccccc3)cc12 337593974 DZOUYIMNDBOJPH-UHFFFAOYSA-N 292.342 3.996 30 20 CHED Cc1ccc(CN(C)C(=O)c2cccc(C#N)c2C)s1 337831619 WARCLROVGNIHEC-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C=CCC(C)(C)CN[C@H]1CCC(=O)Nc2ccc(F)cc21 340430528 XTDBQUSCIDKWMV-AWEZNQCLSA-N 290.382 3.791 30 20 CHED N#CCN(C(=O)c1cc(F)c2ccccc2c1)C1CCCC1 340571759 OVIWNQHNOADDHZ-UHFFFAOYSA-N 296.345 3.887 30 20 CHED Cc1ccn(-c2ccc(NCc3cccc(C#N)c3)cc2)n1 340617950 GIEYDSFUCMYHHP-UHFFFAOYSA-N 288.354 3.665 30 20 CHED N#Cc1ccn(CCCSCc2ccccc2)c1 341472270 GAYNISBVKUHIQG-UHFFFAOYSA-N 256.374 3.683 30 20 CHED CCN(Cc1c(F)cccc1F)c1nccc(C)c1C#N 343546177 ZRDVPGJEDPTDMR-UHFFFAOYSA-N 287.313 3.566 30 20 CHED Cc1c(C(=O)NCC(C)(C)CCC#N)cnc2ccccc12 345915761 VTRVHJLZSYSZBD-UHFFFAOYSA-N 295.386 3.603 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(OC(F)F)cc1 347454681 WTROJMAWZZXYFB-DAFODLJHSA-N 272.254 3.725 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCc2sccc21 352539890 DRUZKSVIOCLOAM-CYBMUJFWSA-N 277.433 3.887 30 20 CHED C=C1CCN(Cc2ccccc2Br)CC1 353306568 HQMRJPIZEYYIMW-UHFFFAOYSA-N 266.182 3.601 30 20 CHED CC(C)CN(C(=O)C[C@H](CC#N)c1ccccc1)C(C)C 355443982 MIIVVTHGGCVGKJ-KRWDZBQOSA-N 286.419 3.967 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NCCC#N 355544071 IVVRDMBQKLAOTE-UUCFBXCCSA-N 276.424 3.649 30 20 CHED CC(C)c1cccc(CNc2cnccc2C#N)c1 355788221 VYIHFPMNADINTN-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C=CCN(C(=O)c1ccc(C2CCC2)cc1)C1CC1 359911537 NSVIZPXBICOXPT-UHFFFAOYSA-N 255.361 3.745 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2CCC[C@H]2C)c1 359929649 KOXGICHRAYISLN-IAQYHMDHSA-N 256.349 3.609 30 20 CHED CC(C)(C)CN[C@@H]1CCCCc2cc(C#N)ccc21 360664295 OPIBJRRPOZPNBJ-MRXNPFEDSA-N 256.393 3.961 30 20 CHED CCCCCn1nc(C)cc1NC(=O)c1cccc(C#N)c1 361217902 VBBNXWSZCPZEFE-UHFFFAOYSA-N 296.374 3.506 30 20 CHED CO[C@@H](CNc1ccc(C(F)(F)F)c(C#N)c1)C(C)C 361702226 PQIGNKGAXSJGGD-ZDUSSCGKSA-N 286.297 3.660 30 20 CHED N#Cc1cccc(CCNC2CC(c3ccccc3F)C2)c1 366972800 IKDKGVGGWUEOMI-UHFFFAOYSA-N 294.373 3.776 30 20 CHED N#Cc1cnc(NCC2(c3ccccn3)CCC2)c(Cl)c1 376196226 LZPHGBRIIVPXPR-UHFFFAOYSA-N 298.777 3.535 30 20 CHED C=CC(C)(C)CN[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 384834123 GCPVFRIAZZWBHY-ZIAGYGMSSA-N 296.455 3.624 30 20 CHED C=CC(C)(C)CNCc1cc(Br)cs1 384923326 FVDQZZSRNNMOIR-UHFFFAOYSA-N 274.227 3.812 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1cccc([N+](=O)[O-])c1 386537799 ILWOCJWKCHTJQM-LBPRGKRZSA-N 297.314 3.670 30 20 CHED CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(OCC#N)cc1 388693795 LPLYLRPTRYPJPO-VBQJREDUSA-N 272.392 3.818 30 20 CHED CC[C@H](CNc1nc(C)ccc1C#N)CC(F)(F)F 402710803 UREGBRBGJBPXIC-JTQLQIEISA-N 271.286 3.652 30 20 CHED C[C@@H]1Cc2ccccc2N(C(=O)[C@]2(C#N)CC23CCCC3)C1 410439332 JTYIVPBAOLQWLH-AUUYWEPGSA-N 294.398 3.686 30 20 CHED C=CCC(C)(C)C(=O)N1CC(c2cccc(Cl)c2)C1 412391022 XLQJXZLFPVTMAX-UHFFFAOYSA-N 277.795 3.868 30 20 CHED C[C@@H](CCCc1cccnc1)Nc1ccc(C#N)cc1 413394894 MZRDBCXYBKVDCB-AWEZNQCLSA-N 265.360 3.777 30 20 CHED C[C@@H]1O[C@H](C)C[C@@H]1CNc1ccc(C#N)cc1C(F)(F)F 413538418 SSIDMUDAYGBJMC-JFGNBEQYSA-N 298.308 3.802 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C)CC1 413828539 VCZKXMMVAGHYHC-QGZVFWFLSA-N 286.419 3.615 30 20 CHED CC[C@@H](NCc1ccc(C)c(C)n1)c1ccc(C#N)cc1 414174008 XQBTXQIBEZKWDV-GOSISDBHSA-N 279.387 3.811 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1OC 414510052 GVJINXGNJGJMMB-HUUCEWRRSA-N 293.382 3.630 30 20 CHED CC(C)C[C@@H](C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416706405 XWVQRQIDBSOLHM-DYVFJYSZSA-N 299.418 3.669 30 20 CHED N#CC1(CNCc2ccc(-c3ccccc3F)o2)CCC1 418135491 AQNJBOQEAZYRAE-UHFFFAOYSA-N 284.334 3.869 30 20 CHED N#CC1(CCCSCCOCC2CCC2)CCOCC1 419644290 MCRPTPODXPLKHR-UHFFFAOYSA-N 297.464 3.637 30 20 CHED N#Cc1ccnc(N2CC[C@@H](C3CCCC3)C2)c1Cl 420620508 QKEKQZLYDWEVEC-CYBMUJFWSA-N 275.783 3.623 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](Nc1ccccc1)C(C)C 425149695 RSOBJIPMULHNFT-INIZCTEOSA-N 288.435 3.842 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCc1c(C)cccc1C 425951766 DYLJZLJCGVLDSI-INIZCTEOSA-N 286.419 3.596 30 20 CHED CCOC(=O)c1ccc(C#N)c(SCCCC(C)C)n1 428076370 JFMVGRMYUZNVKB-UHFFFAOYSA-N 292.404 3.658 30 20 CHED C=CCSCCNCc1ccc(C(F)(F)F)s1 428862670 VMDRCZYTDLQQEX-UHFFFAOYSA-N 281.368 3.776 30 20 CHED C[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)cc2Cl)C1 429627248 ZOFHHOQJTBBYDD-JQWIXIFHSA-N 291.782 3.864 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H]1c1cccnc1 432566625 MLEJGMBXOCBELZ-OAHLLOKOSA-N 287.407 3.530 30 20 CHED Cc1cccc(N(C)C(=O)[C@@H](C#N)CCc2ccccc2)c1 433355071 PORXBOHXJVOPLO-QGZVFWFLSA-N 292.382 3.730 30 20 CHED Cc1cc(C)cc(CCC(=O)N2CCCC(C)(C)[C@H]2C#N)c1 434018153 XNDNZNOBEIHERU-QGZVFWFLSA-N 298.430 3.777 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCc2ccc(C)cc21 436288211 DRRNOCWXJNBBET-WDSOQIARSA-N 285.431 3.943 30 20 CHED COc1ccc(C#N)cc1CSC[C@H](C)C(F)(F)F 439023367 QAAZCDCOTQWIBK-VIFPVBQESA-N 289.322 3.998 30 20 CHED C=CCCCN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 441337213 AXJZKFJHCFVPSU-OAHLLOKOSA-N 292.854 3.985 30 20 CHED CC[C@H](F)CNc1cc(C#N)ccc1OC(C)C 442112808 QIYGEHGVSMASTH-LBPRGKRZSA-N 250.317 3.505 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCO[C@@H]2CCCc3ccccc32)C1 442873261 KBENBUQMOGLCEM-SZVBFZGTSA-N 298.430 3.753 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](C)C1 444134556 AKOHKIFJQZGWOE-RHSMWYFYSA-N 299.418 3.668 30 20 CHED C=CCC[C@H](CC)Nc1c[nH]nc1-c1nccs1 447080519 WMTURSJQGYFJEB-JTQLQIEISA-N 262.382 3.690 30 20 CHED CC[C@@H](Nc1cccc2c1OCO2)c1ccc(C#N)cc1 447591417 HXQGWYOMHPKWLG-CQSZACIVSA-N 280.327 3.850 30 20 CHED C=C(C)CN(CC)C(=O)c1nc2ccccc2nc1C1CC1 448684527 MCDWCDUADYNRKK-UHFFFAOYSA-N 295.386 3.545 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1CC(C)C 448788303 SEPULLHMZZSOHE-ZIAGYGMSSA-N 286.375 3.578 30 20 CHED C=C1CCN(C(=O)C2=C(c3ccccc3)CCC2)CC1 448913403 SKUFJTQXVCWKOE-UHFFFAOYSA-N 267.372 3.803 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC1CCCCC1 454189589 XZMFIJQAKBRIQI-UHFFFAOYSA-N 298.430 3.823 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H](C)C(C)(F)F)c1 454683052 YWACTVMGJUJBNL-NSHDSACASA-N 298.333 3.807 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)CCCC1(C)C 456035995 JIJRGXJHLCBHQO-JJXSEGSLSA-N 291.435 3.537 30 20 CHED C=CCCCCNC(=O)C(C)(C)Cc1ccc(C#N)cc1 456040654 DSMONMUKXODQLY-UHFFFAOYSA-N 284.403 3.599 30 20 CHED C=CCN1CCC(NCc2c(F)cc(C)cc2Cl)CC1 459396000 DKXNCXUNIMSZOH-UHFFFAOYSA-N 296.817 3.528 30 20 CHED Cc1cc(CCN[C@H]2CCC[C@@H](C#N)C2)ccc1Cl 462802934 IZIWBXFJTBCYCW-CABCVRRESA-N 276.811 3.863 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H](C#N)C(C)C)cc1 463830693 JUFQGABSGFHKIY-YOEHRIQHSA-N 286.419 3.968 30 20 CHED C=CCCCCCN(C)Cc1ccc(C(=O)OC)c(F)c1 464899713 UAVHWTXUWJHLDI-UHFFFAOYSA-N 293.382 3.791 30 20 CHED C=C[C@H](C)NC(=O)CSc1ccc2ccccc2c1 465114127 ZVIPVVWMPHYVNZ-LBPRGKRZSA-N 271.385 3.623 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC1CC(C)(c2ccccc2)C1 466317616 LZOYAVLRSQYPPO-TVRKMHQQSA-N 298.430 3.857 30 20 CHED Cc1ccc(CNCCc2cccc(C#N)c2)cc1Cl 466411989 JHZADQNSVMXNAN-UHFFFAOYSA-N 284.790 3.852 30 20 CHED CO[C@]1(C)C[C@H](Nc2ccc(Cl)cc2C#N)C1(C)C 467009079 IYEDLHMDFSBYTL-DZGCQCFKSA-N 278.783 3.827 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCCc2ccccc21 467824965 CMGAUKRXQORJGZ-QGZVFWFLSA-N 283.415 3.991 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(-c2ccncc2)cc1 468029477 LOVUSIZXKUCJQS-LJQANCHMSA-N 294.398 3.967 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1ccc(F)c(C#N)c1 469510108 HWLPSPQOIRWQSZ-GFCCVEGCSA-N 276.355 3.642 30 20 CHED C=CCCCCNC(=O)[C@@H](c1ccccc1)C(C)C 471709955 WIUROZMQUUUGOV-MRXNPFEDSA-N 259.393 3.899 30 20 CHED C=CCC[C@@H](O)CN(CCC)[C@@H]1CCc2ccccc21 472760665 ZGNSONZYTTXZOH-SJLPKXTDSA-N 273.420 3.713 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCC1CCCCC1 477065898 DMCZIWHOANBBLQ-CQSZACIVSA-N 281.465 3.889 30 20 CHED CCCCO[C@H]1C[C@H](N(C)CCCSCC#N)C1(C)C 477068235 NXPHYRSPIJDRJW-GJZGRUSLSA-N 298.496 3.549 30 20 CHED C=CCC(CC=C)C(=O)N(CC1CCC1)CC1CC1 478626716 XZUGJVDCEWLTDI-UHFFFAOYSA-N 261.409 3.794 30 20 CHED C=C(C)[C@H](N[C@@H]1CN(CC)C[C@H]1C)c1ccc(F)c(F)c1 480679111 VAYVQYOTFUIHSE-JLZZUVOBSA-N 294.389 3.512 30 20 CHED C=CCC[C@H](C)NCc1nc2cccc(Cl)c2n1C 480698252 NEBRBFJEWPAFME-NSHDSACASA-N 277.799 3.671 30 20 CHED C=C[C@H](C)NC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 482825600 LBRJALHPYUMPBD-VIFPVBQESA-N 299.201 3.636 30 20 CHED CC(C)[C@H]1CCc2ccccc2N1C(=O)CC(C)(C)C#N 486361289 WYWBXDGJTKKSRB-OAHLLOKOSA-N 284.403 3.930 30 20 CHED COCC(C)(C)CNc1ccc(C#N)cc1C(F)(F)F 488675798 LJLAKBNVFZPYKS-UHFFFAOYSA-N 286.297 3.662 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(F)c1Cl 488831472 HZYDNXUGKHIHSK-JTQLQIEISA-N 267.731 3.660 30 20 CHED C[C@@H](NC(=O)/C=C\c1ccsc1)c1ccc(C#N)cc1 490666906 NZWXOXMKHMVWQK-DJFZKKHWSA-N 282.368 3.510 30 20 CHED C#C[C@@H](NC1CCC(OC)CC1)c1ccc(Cl)cc1 491428340 OHKJPOBOMIGSLD-UYSNPLJNSA-N 277.795 3.562 30 20 CHED C=CCCC(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 491835367 UGCLSULMQIWKDB-UHFFFAOYSA-N 291.347 3.905 30 20 CHED C=C(C)CON=C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 496183105 ZECKVXCJJMIKPG-KBPBESRZSA-N 296.411 3.601 30 20 CHED C=CCN(CCc1ccco1)C(=O)NCc1cccc(C)c1 498118604 WEKJFBWSJPVKQW-UHFFFAOYSA-N 298.386 3.528 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N(C)C[C@@H](C)C#N 499100503 PNHKQRWDTFKMQZ-GOEBONIOSA-N 278.440 3.991 30 20 CHED Cc1ccc(C#N)c(N2CC[C@H](Cc3ccccc3)[C@H]2C)n1 500262772 PBUSDDPMDGHMRM-NVXWUHKLSA-N 291.398 3.719 30 20 CHED C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 503675109 ZWWXZYGVACWPLP-LBPRGKRZSA-N 298.773 3.745 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(OC)c1OC 508533607 KLPYVDQEAGBODQ-UHFFFAOYSA-N 297.398 3.892 30 20 CHED C=C(C)CCc1noc(CCc2cc(C)cc(C)c2)n1 508644950 HYQSQYGOZVZZOI-UHFFFAOYSA-N 270.376 3.980 30 20 CHED CCC1CCC(NC(=O)c2cccc(C#N)c2C)CC1 509153833 PFNGUWZURSWBQO-UHFFFAOYSA-N 270.376 3.565 30 20 CHED C[C@@H]1CCN(C(=O)NCC(C)(C)C#N)CC12CCCCC2 512772864 GDXDFKYIADHGPS-CQSZACIVSA-N 291.439 3.538 30 20 CHED C=C1CCN(Cc2ccc(Br)s2)CC1 513452109 WFVXKDNWJONCSS-UHFFFAOYSA-N 272.211 3.663 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 516256397 UTCVHAOUSUJEHE-KISNFGTJSA-N 296.414 3.603 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)Oc1ccc(C)cc1 523512535 DPUPOOIHVOZYHV-MRXNPFEDSA-N 289.419 3.967 30 20 CHED C=CCNC(=O)NCC1(c2ccccc2)CCCCCC1 524236814 ZRTAJLOTBAGORB-UHFFFAOYSA-N 286.419 3.764 30 20 CHED COc1cccc([C@@H]2CN([C@H]3CC[C@@H](C#N)C3)CC2(C)C)c1 528626782 RNTALGUMCUKQJM-HFTRVMKXSA-N 298.430 3.813 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1SCC)OCC 534413188 CRCMCNAOROXUPS-ILXRZTDVSA-N 299.480 3.538 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)CC1CCCCC1 538289169 DVRJJDILJPRQQZ-AWEZNQCLSA-N 266.429 3.953 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3cccc(C#N)c3)C2)c1 541386411 KDBGTKYSAGTGIQ-LJQANCHMSA-N 276.383 3.856 30 20 CHED CCCC(C)(C)NC(=O)c1ccc(Cl)c(C#N)c1 543464488 MLZICFPDOUBUOM-UHFFFAOYSA-N 264.756 3.520 30 20 CHED C=CCSCCN[C@@H](c1ccc(OC)cc1)C(C)C 543755141 ZNDRBVLFQVWZHM-MRXNPFEDSA-N 279.449 3.901 30 20 CHED C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@H]2CCCC[C@H]12 543908690 LYEIMMCKAIGCOX-JLZZUVOBSA-N 272.367 3.708 30 20 CHED CCCC[C@@H](C)Nc1cc(C#N)ccc1OCCOC 544374260 FMZVRFYGRZNLLJ-CYBMUJFWSA-N 276.380 3.574 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1SCC 545252302 MXHHLVHTLXUCIV-LBPRGKRZSA-N 263.406 3.883 30 20 CHED CC[C@H](C(=O)N(CCC#N)C(C)C)C1CCC(C)CC1 547309700 FZYJNJFCYRYWAY-GPANFISMSA-N 278.440 3.990 30 20 CHED C=CC[C@H](C(=O)N(C)Cc1cccc(O)c1)c1ccccc1 548640238 NKVZUAADAIIYCZ-SFHVURJKSA-N 295.382 3.711 30 20 CHED C=CCOc1ccc(CNc2nccc(C(C)(C)C)n2)cc1 549197738 GYKDITGIHSNWAU-UHFFFAOYSA-N 297.402 3.951 30 20 CHED C=CCC[C@H](CCC)NC[C@H]1CCC[C@@H](CO)C1 554140449 BHXGCCOAPLVNGE-XHSDSOJGSA-N 253.430 3.510 30 20 CHED CC[C@@H](Nc1cc(C#N)ncn1)c1ccc(Cl)cc1 562433311 VZUXKLSMGVHFIQ-CYBMUJFWSA-N 272.739 3.565 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(OC)c(OC)c1C 563334317 JIBICFAQYADXOU-ZDUSSCGKSA-N 263.381 3.629 30 20 CHED N#Cc1cnc(N[C@H]2C[C@H]2C2CCCCC2)c(Cl)c1 563488696 IQRFAHHZWORRCP-JSGCOSHPSA-N 275.783 3.987 30 20 CHED C=CCOc1ccc(CN[C@@H]2CC[C@@H](F)C2)cc1Cl 564116945 QQIHHTDWMPFWFQ-CHWSQXEVSA-N 283.774 3.885 30 20 CHED N#Cc1cncnc1Nc1ccc(NCC2CCCC2)cc1 564893030 HQAGBHNIXRJQEN-UHFFFAOYSA-N 293.374 3.694 30 20 CHED N#CC1(CNc2ncc(-c3ccccc3)s2)CC1 566772940 OTTSLWVMYZIOMD-UHFFFAOYSA-N 255.346 3.526 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCCC[C@@H]1CC 569742413 FHQXKAXTJKQDCP-KGLIPLIRSA-N 276.428 3.747 30 20 CHED C[C@H](C#N)CN(C)c1ccc2cc(F)cc(Cl)c2n1 570511513 UKEIWPSNDIAVNO-SECBINFHSA-N 277.730 3.623 30 20 CHED N#C[C@H]1CC[C@H](NCc2cccc(Cl)c2Cl)C1 572693461 MSRXPWGKJKPDSM-ONGXEEELSA-N 269.175 3.775 30 20 CHED C=CCOCCN1CC[C@@H](C)Sc2ccccc21 574102760 JMQJNTVSVHEOSY-CYBMUJFWSA-N 263.406 3.580 30 20 CHED CC(C)[C@H]1C[C@@H](NC[C@@H](C#N)CCC#N)c2ccccc21 578007555 WAHVGCVSERBMEZ-ZTFGCOKTSA-N 281.403 3.904 30 20 CHED CCSc1ccc([C@H](C)Nc2cc(C#N)ncn2)cc1 579189085 MFSFDIYJKXMPED-NSHDSACASA-N 284.388 3.633 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@@H](C(C)C)CC1 580261159 VYFMIWFZWKIWLY-CQSZACIVSA-N 288.439 3.604 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@H](C)c1ccccc1 580922419 MMIUFDBEYBLXSJ-CQSZACIVSA-N 284.407 3.785 30 20 CHED CC(C)n1cc([C@@H](C)NCCC2(C#N)CCCCC2)cn1 582891373 LNQAOYMXXDPVQN-OAHLLOKOSA-N 288.439 3.979 30 20 CHED CC1=CC[C@H](N[C@H]2CCc3cc(C#N)ccc32)CC1 585726482 CUAAFKSOPJYVQP-RDJZCZTQSA-N 252.361 3.634 30 20 CHED COc1ccsc1C(=O)/C=C\c1c(F)cccc1F 588489018 HQZKVLSIEXNYLT-WAYWQWQTSA-N 280.295 3.931 30 20 CHED COc1cccc2c1CC/C(=C\c1cnn(C(C)C)c1)C2=O 588618512 XDJHYLFMCVWVES-NTEUORMPSA-N 296.370 3.685 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc(F)c2)c1F 588619123 RIPXDYHDFHGVDI-HJWRWDBZSA-N 274.266 3.870 30 20 CHED C[C@H](c1noc(CCCCCC#N)n1)c1cccs1 589129369 KWPLSEZZHQDXMQ-NSHDSACASA-N 275.377 3.909 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(C2=CCCC2)cc1 589789424 YWVUVHDUZGPOCI-KRWDZBQOSA-N 282.387 3.922 30 20 CHED C[C@H](NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1cccc(C#N)c1 590673276 ZQGQEMDGUOQUSL-QDEZUTFSSA-N 284.403 3.808 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C[C@H](C)CCC=C(C)C 594082939 FSBVMTDKLIODBI-KGLIPLIRSA-N 250.386 3.520 30 20 CHED C=CCCSCCNC(=O)Nc1ccc2[nH]ccc2c1 596714075 NWUHIQCWABEAHN-UHFFFAOYSA-N 289.404 3.599 30 20 CHED N#CC1(CC(=O)N2CCc3cc(F)ccc32)CCCCC1 597626161 GCZBIRREDSDUJG-UHFFFAOYSA-N 286.350 3.579 30 20 CHED C=CCCSCCNC(=O)C[C@@H](C)c1ccccc1F 597972171 KTDZPKMDMBTGDV-CYBMUJFWSA-N 295.423 3.745 30 20 CHED CC[C@](C)(C#N)c1nc(C2(c3ccc(F)cc3)CCC2)no1 598682595 FLSZARUSYOYALU-MRXNPFEDSA-N 299.349 3.870 30 20 CHED CCOC(=O)[C@H](Sc1ccc(C#N)cc1)C(C)(C)C 600519822 GCIJXJFBOBCEQG-ZDUSSCGKSA-N 277.389 3.628 30 20 CHED C[C@H](CCC#N)CN(CCc1ccc(F)cc1)C1CC1 602468085 JEQAUEXAOIXBOA-CQSZACIVSA-N 274.383 3.772 30 20 CHED C[C@@H](CCC#N)CN1CCC2(CCc3ccccc3O2)CC1 602716242 CCCZXKRMXIHVJR-INIZCTEOSA-N 298.430 3.786 30 20 CHED CC(C)CCCn1cc(CC2(C#N)CCCCC2)nn1 603198426 UYMUTYVMPHUOEV-UHFFFAOYSA-N 274.412 3.731 30 20 CHED C[C@H](Nc1nc2c(cc1C#N)CCC2)c1c(F)cccc1F 603871976 XOBUNCHROHLSEE-JTQLQIEISA-N 299.324 3.893 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 608959862 RYSFCEYGGRMAMI-DVOMOZLQSA-N 264.413 3.647 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccccc1C#N 609092639 GEOHJZNGYBUJRG-OLZOCXBDSA-N 256.349 3.713 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C#N)cc2)c(C)c1 609410642 WZUHFQDBINXDRZ-OAHLLOKOSA-N 292.382 3.536 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@H](O)C1CCCCC1 609892690 SUYCCWKSYZURBO-HNNXBMFYSA-N 278.783 3.565 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1c(F)cc(C#N)cc1F 610280229 JHQXJOCBSLMVJU-DOTOQJQBSA-N 284.309 3.979 30 20 CHED CC(C)(C#N)CCCN[C@@H](Cn1cccn1)c1ccccc1 610582746 UQDQWKXVLRUFMZ-KRWDZBQOSA-N 296.418 3.544 30 20 CHED COc1cc(C#N)ccc1CN(Cc1ccc(C)o1)C1CC1 611235267 ZOPPWTMETGORBF-UHFFFAOYSA-N 296.370 3.633 30 20 CHED Cc1ccc2c(c1)N(Cc1cccc(C#N)c1F)CC2 611372413 KVYUPDKMGIPCCB-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=CCN(C)C(=O)[C@@H](CCC)c1ccc(Cl)cc1 613663874 CZJVFHFLXAOTNR-AWEZNQCLSA-N 265.784 3.868 30 20 CHED Cc1cc(C#N)ccc1CN(C)c1ccc(F)c(F)c1 614397603 ICZOLQRAKORLCW-UHFFFAOYSA-N 272.298 3.781 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCC1CCCC1 618739765 RRTNJCQBXDXWNZ-KRWDZBQOSA-N 282.387 3.632 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[C@H](C#N)C1 618903830 AEKUGLPYPOSKCW-JSGCOSHPSA-N 282.309 3.829 30 20 CHED N#Cc1ccc(CNc2ccccc2[N+](=O)[O-])cc1Cl 619747216 LVHLTMLVMJDZRC-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(-c2cnco2)c1 620864914 UGMRNZOESMOFMN-UHFFFAOYSA-N 284.359 3.816 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 642012326 BHFCNGIXMUHFPG-UKRRQHHQSA-N 273.376 3.560 30 20 CHED C=CCC[C@H](CC)N[C@H](CCO)c1ccccc1F 647345126 DZRGYCBWKHYYMV-XJKSGUPXSA-N 265.372 3.584 30 20 CHED C=CCCC(C)(C)NCc1ccc(N(C)C(C)C)nc1 657805108 KIYOGVBCMIMNDS-UHFFFAOYSA-N 275.440 3.761 30 20 CHED C=CCCC(C)(C)NCc1cnc(-c2ccccc2)nc1 657805883 VUXQQOYXAVECRI-UHFFFAOYSA-N 281.403 3.978 30 20 CHED C=CCCNC(=O)N(CCC)Cc1c(F)cccc1Cl 661572643 VBPNMQYZTUUHHF-UHFFFAOYSA-N 298.789 3.977 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21 664472218 KRFYZRHITOLGMA-BBWFWOEESA-N 298.430 3.616 30 20 CHED C=CCCNC(=O)Nc1cccc(N2CCCCCC2)c1 666159518 ALCCDYARPSJCIK-UHFFFAOYSA-N 287.407 3.765 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cncc(Cl)c2C)C1 667159972 MWAMHYMXQPYDKY-LBPRGKRZSA-N 293.798 3.863 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C)cncc1C 675457062 QBMMFKBZSOGDDB-UHFFFAOYSA-N 260.381 3.517 30 20 CHED N#CCOc1ccc(NC2CCC(F)(F)CC2)cc1 688344561 SMDSLSQCTXXFHX-UHFFFAOYSA-N 266.291 3.579 30 20 CHED CC[C@H](C)CCNC1CC(C#N)(c2ccccc2)C1 696196622 DVHHNQLDNBROTL-OOHWJJMZSA-N 256.393 3.636 30 20 CHED C=CCCC(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 726655392 PEIZHVYGQCMCIZ-IHWZXDPASA-N 290.403 3.670 30 20 CHED C(=NNc1cnc2ccccc2n1)c1cccc2cccnc12 727255413 BQDJPUIWZVBSAN-UHFFFAOYSA-N 299.337 3.624 30 20 CHED Fc1ccccc1C=NNc1cccc2cnccc12 728431894 HBNASSDCWRTHJS-UHFFFAOYSA-N 265.291 3.820 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1 728438976 SFZJDECPJYLPJY-VURMDHGXSA-N 256.276 3.736 30 20 CHED Cc1cc(O)c(CN(C)[C@@H](C)CC#N)cc1C(C)C 728902247 MDDVJOJWMBOANN-ZDUSSCGKSA-N 260.381 3.558 30 20 CHED C=CCOc1ccccc1C/N=C/c1cccc(OC)c1O 731936868 BLBTUHZYGHJRQI-CPNJWEJPSA-N 297.354 3.585 30 20 CHED C=CCCO[C@H](C)C(=O)OCCc1ccc2ccccc2c1 733859353 IDDNXHIFSRUHNB-OAHLLOKOSA-N 298.382 3.907 30 20 CHED C=CC[C@H](NC(=O)CCc1cccs1)c1ccncc1 734233912 BPKBFAAAKCNLQH-HNNXBMFYSA-N 286.400 3.509 30 20 CHED O=C1/C(=C/c2ccc(F)cc2F)Cc2cc(F)ccc21 734305003 DMYQPGQGNAVKFC-VZUCSPMQSA-N 274.241 3.926 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2cccc(O)c2)c1 734981337 QPXCDGNYQWETER-VURMDHGXSA-N 256.276 3.736 30 20 CHED C=CCn1c(SCCCCC(=O)O)nc2ccccc21 737537292 OWGZIDHQKHYTHN-UHFFFAOYSA-N 290.388 3.569 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@@H](CC)C2)c1 740768424 KVDAZTLDCSIWPA-GDBMZVCRSA-N 286.444 3.923 30 20 CHED C=CCN(C(=O)NC[C@@H](C)c1cccc(C)c1)C(C)C 741424271 BETHRMJIHSYZHV-OAHLLOKOSA-N 274.408 3.705 30 20 CHED CCc1ccccc1NN=Cc1c[nH]c2ncccc12 741760771 CWYIHIMSGZDTCR-UHFFFAOYSA-N 264.332 3.571 30 20 CHED COCc1ccc(C=NNCc2ccccc2Cl)cc1 741762618 PPQXWPQMLMCIMA-UHFFFAOYSA-N 288.778 3.610 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2cc(C)ncn2)cc1 741843634 QYTYJZAAUBLDRP-OAHLLOKOSA-N 280.375 3.829 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)C[C@H](C)CC)c1 743004720 JNIDBJOOJVXYLJ-OLZOCXBDSA-N 274.433 3.779 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 743083746 BTJYCMXNHAFDPW-BFYDXBDKSA-N 282.387 3.758 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1ccc(Cl)cc1 744044527 QQBZKVRQDDGEQE-GFCCVEGCSA-N 282.767 3.927 30 20 CHED Oc1ccccc1/C=N\Cc1ccccc1Br 745624945 PWBXDMOVSJDYEC-YBEGLDIGSA-N 290.160 3.774 30 20 CHED C(=NOCc1cccnc1)c1cc2ccccc2s1 746585890 OMVHZXCHEAJQKW-UHFFFAOYSA-N 268.341 3.847 30 20 CHED O=C(C#Cc1ccccc1)Nc1cccc2ccccc12 747201412 CDIDISWDTWCNFP-UHFFFAOYSA-N 271.319 3.830 30 20 CHED COc1cc(OC)c(C(C)=NOCC(C)C)cc1Cl 749632198 WICFBMOTKPJSKR-UHFFFAOYSA-N 285.771 3.754 30 20 CHED COc1ccc(NN=C(C)c2ccc(F)cc2C)cc1 750923093 USDLTGNRMVYINH-UHFFFAOYSA-N 272.323 3.979 30 20 CHED COc1ccc(NN=C/C=C\c2ccc(F)cc2)cc1 750946611 WZODAFSJNITWIK-WXQBDOTOSA-N 270.307 3.945 30 20 CHED C#CCCSc1nnc(Nc2ccc(C)cc2)s1 751743656 APJXVHOLLBVEMF-UHFFFAOYSA-N 275.402 3.706 30 20 CHED C[C@H](CC(=O)OCCCCC#N)c1ccc(F)cc1F 751860636 RUOBZCCNPGFIPN-LLVKDONJSA-N 281.302 3.695 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 754661713 RIMJKZUQYXRPPC-DLBZAZTESA-N 283.415 3.879 30 20 CHED CCCCCCCCNC(=O)N[C@H](C)c1cccnc1 755054289 RIVJPPMALPDIPJ-CQSZACIVSA-N 277.412 3.802 30 20 CHED CSCCC=NNc1ncc(Cl)cc1Cl 755540712 CRROCZDKFYYFQC-UHFFFAOYSA-N 264.181 3.539 30 20 CHED CC1(C)C(=NNCc2cccc(Cl)c2)[C@@H]2CCCO[C@@H]21 756826982 HSHILUBDCGBHAU-ZFWWWQNUSA-N 292.810 3.621 30 20 CHED C#CC[C@H](Nc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 756954287 WTKLSZKCMGFKFJ-HNNXBMFYSA-N 296.326 3.780 30 20 CHED N#CCN(C(=O)c1cc(Cl)cs1)c1ccccc1 758156891 CQIHSDKECHQXHT-UHFFFAOYSA-N 276.748 3.572 30 20 CHED CC(CC1CCC1)=NNc1oc(CC(C)C)nc1C#N 758375732 YKRKXMWOYXSXFK-UHFFFAOYSA-N 274.368 3.723 30 20 CHED C#CC[C@H](NC(=O)c1cc(Cl)cs1)c1ccccc1 758885690 XVSCNQKUPSELCS-ZDUSSCGKSA-N 289.787 3.896 30 20 CHED C=C[C@H](CC(=O)OCC(=C)Cl)c1ccccc1 758922333 XKZBEEPCZTXIOA-GFCCVEGCSA-N 250.725 3.642 30 20 CHED C[C@@H](OC(=O)C1CCC(F)(F)CC1)c1cccc(C#N)c1 759305560 GCEZUOODRYWDKO-LLVKDONJSA-N 293.313 3.988 30 20 CHED Cc1ccc(F)c(NN=C2[C@H]3CCCO[C@H]3C2(C)C)c1 759652624 KYIXEXRDSVGFAK-IAQYHMDHSA-N 276.355 3.737 30 20 CHED Cc1sc(/C=C\c2cc(C#N)cs2)cc1C=O 760266672 YABWEENFZLJEBN-IHWYPQMZSA-N 259.355 3.973 30 20 CHED CCN(CC)c1ccc(/C=N/[C@@H]2CCC(F)(F)C2)c(O)c1 763096240 IBYUQTQDDHEJJK-OTGIAGGSSA-N 296.361 3.845 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccc(Br)cc1 766434983 VHHLRWXNAONJBM-CYBMUJFWSA-N 297.196 3.806 30 20 CHED CCCCCCCCOCC(=O)N(C)c1ccnc(C)c1 766604672 HKKBQOLCYMCQBG-UHFFFAOYSA-N 292.423 3.730 30 20 CHED Cc1cccc(NN=Cc2c(C)nc3sc(C)cn23)c1 767027560 DLTZSRRCIWZNFZ-UHFFFAOYSA-N 284.388 3.767 30 20 CHED COc1cc(C)ccc1C(C)=NNCc1ccccc1 767130504 GMFPVBVAMUMDEE-UHFFFAOYSA-N 268.360 3.517 30 20 CHED CCCCCCCNc1ccc(F)cc1C(=O)N(C)C 767634106 JUQPDTWOMGTOJJ-UHFFFAOYSA-N 280.387 3.910 30 20 CHED Brc1cc(NN=C[C@H]2CC=CCC2)ccn1 769817902 ZJDXTWPGJFGTJL-JTQLQIEISA-N 280.169 3.598 30 20 CHED N#Cc1ccc(CNN=Cc2cccc3ccccc23)cc1 769820524 GRXRKTDEVUYPNJ-UHFFFAOYSA-N 285.350 3.835 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C1/CC[C@@H](C)C1 770334507 RYSSRHIYDIPWBQ-NASPGAHYSA-N 254.333 3.552 30 20 CHED C#CCSCCN[C@@H]1CCSc2c(Cl)cccc21 773010083 FWRWBAZVUHDMBP-CYBMUJFWSA-N 297.876 3.833 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1c(F)cccc1F 773126927 WYUXUUSBCQJLCE-CQSZACIVSA-N 266.335 3.857 30 20 CHED CCOCCON=CC(c1ccccc1)c1ccccc1 774423736 XXNFGSPKPMTQAD-UHFFFAOYSA-N 283.371 3.857 30 20 CHED CCOCCON=Cc1ccc(F)c(-c2cccs2)c1 774433701 MDYWDOMKMPRAGR-UHFFFAOYSA-N 293.363 3.941 30 20 CHED CCCCc1ccc(C(C)=NOC2CCOCC2)cc1 774443602 DOQKMCBJJPEIAJ-UHFFFAOYSA-N 275.392 3.949 30 20 CHED CCCCCCCN[C@@H](C)c1ccc(-n2cncn2)cc1 774816799 VRAKESVSKMMVGF-HNNXBMFYSA-N 286.423 3.888 30 20 CHED C#CCCCN[C@H](CCC)c1ccc(F)cc1F 775543386 UNGKVKYQPYPFKI-OAHLLOKOSA-N 251.320 3.809 30 20 CHED N#C[C@H](OC(=O)C(F)=C1CCCC1)C1CCCCC1 776398278 WUHOAWXISZRNQV-ZDUSSCGKSA-N 265.328 3.800 30 20 CHED C#CCCCCCC(=O)Nc1sc(CC)cc1C#N 779860193 RYJZNCUYJXIJNW-UHFFFAOYSA-N 274.389 3.704 30 20 CHED COc1ccc(CCC(C)=NNc2ccnc(F)c2)cc1 781131858 FMYCFAADPXUVIV-UHFFFAOYSA-N 287.338 3.650 30 20 CHED C[C@@H](OC(=O)c1cccc(N(C)C)c1)c1cccc(C#N)c1 782022920 ZCICGFQCDRNLCV-CYBMUJFWSA-N 294.354 3.542 30 20 CHED N#Cc1csc(C(=O)OCc2cc(F)ccc2Cl)c1 782280762 OCHTYTMHBNKCFC-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C=CCCCCCOC(=O)c1cccnc1Br 784366477 YUABHRFFFIBVKQ-UHFFFAOYSA-N 298.180 3.747 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NNc1ccnc(F)c1 785460935 HAXIRVCFSQAMBZ-UHFFFAOYSA-N 297.255 3.994 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1cccc(NC(=O)C(C)C)c1 785589846 HZASXGWSLBCVAV-KRWDZBQOSA-N 289.375 3.789 30 20 CHED C=Cc1ccc(C(=O)Oc2ccc(C#N)cc2F)cc1 790863302 CBPAMHUNJWUHHI-UHFFFAOYSA-N 267.259 3.560 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(C)c(C)cc2C)no1 791434109 VNGZMNVQQXEKHK-WAYWQWQTSA-N 255.317 3.804 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(C(F)F)c2)cc1 791757843 ZCFMRKZCWIWYOY-UHFFFAOYSA-N 287.265 3.853 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C(=C/C)CC 791864672 IOSUHNROJMNJEH-FZSIALSZSA-N 257.377 3.948 30 20 CHED CC(=NNCC1(C)CCCC1)c1cnn(C(C)(C)C)c1C 793084548 PTLQEDUNKRBNHV-UHFFFAOYSA-N 290.455 3.840 30 20 CHED CCC(C)=NNc1ccc(OC)cc1C(F)(F)F 793112943 YHFPWMBSARXQMI-UHFFFAOYSA-N 260.259 3.912 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NNc2ncncc2F)C1 793224915 BVGDCWQHXNEVSR-MRXNPFEDSA-N 284.338 3.525 30 20 CHED Oc1ccc(F)c(C=NNc2ccc(Cl)cc2)c1F 794445203 KGBFDIUBHJCHME-UHFFFAOYSA-N 282.677 3.770 30 20 CHED CC(C)C[C@@H]1CCCC(=NOC2CCOCC2)C1 794536848 STURQFBLZHUYMO-ZDUSSCGKSA-N 253.386 3.774 30 20 CHED Cc1cc2cc(C=NNCCC(F)(F)F)oc2cc1C 794552089 KRXLAUXOXLYKKK-UHFFFAOYSA-N 284.281 3.926 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(F)ccc1C 796461403 FWZIEVQRTNASGK-UHFFFAOYSA-N 250.313 3.780 30 20 CHED N#C[C@H](C(=O)[C@@H](F)CC1CCCCC1)c1ccccn1 796632857 NZFCLRGFVZHAPQ-KBPBESRZSA-N 274.339 3.566 30 20 CHED C=CCC[C@@H](N[C@H](CCO)Cc1ccccc1)c1ccco1 796986528 WWABRVRSLYEQIU-QZTJIDSGSA-N 299.414 3.870 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798476042 VDENNJJKALJZLQ-IINYFYTJSA-N 298.308 3.617 30 20 CHED COc1cccc(/C=C2/CCc3cc(O)ccc3C2=O)c1F 799891609 ALGODALVLFRWND-LCYFTJDESA-N 298.313 3.752 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)CCO3)oc1C 799895536 CNUJJMZHZMAXAB-HYXAFXHYSA-N 268.312 3.727 30 20 CHED CSc1ccccc1[C@H](C)OC(=O)C(C)(C)C#N 800008701 CZTUKOWYQIRRRD-JTQLQIEISA-N 263.362 3.562 30 20 CHED C[C@H](C#N)OCCSCCCCc1ccccc1 801659101 VXOHUJBBCPHUJU-CQSZACIVSA-N 263.406 3.671 30 20 CHED C[C@H](C#N)OCCN1CCC[C@H]1CCC1CCCCC1 801928900 ANSSHMCVHYHUHD-WBVHZDCISA-N 278.440 3.740 30 20 CHED C=CCCCCCCNC(=O)c1cccc(OC)c1OC 805220601 XOPFSONADOJHFZ-UHFFFAOYSA-N 291.391 3.570 30 20 CHED Cc1ccc(C(=O)OCCCSCC#N)c(Cl)c1C 805528602 VFTJBYWBNJJTKQ-UHFFFAOYSA-N 297.807 3.761 30 20 CHED C[C@H]1CCC[C@H](OC(=O)c2cc(C#N)ccc2Cl)C1 807930447 JBPPISYPPZQKSU-JQWIXIFHSA-N 277.751 3.947 30 20 CHED C[C@H]1CCCC(=NNc2nccnc2C2CCC2)C1 807992241 DOIDQETZNBKOOX-NSHDSACASA-N 258.369 3.722 30 20 CHED C#Cc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 809657408 DXROKTSQQITXBL-IBGZPJMESA-N 279.358 3.974 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(F)c(CC)c1 810724024 DUTPJRISIZLAOO-UHFFFAOYSA-N 281.330 3.551 30 20 CHED CC(C)c1ccc(C(=O)OCc2cc(F)ccc2C#N)nc1 811262791 RSEGWCMEEQDGAC-UHFFFAOYSA-N 298.317 3.573 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 812007085 KLGQFWOFSKXNJB-SWLSCSKDSA-N 290.382 3.576 30 20 CHED CC(C)(C)OC(=O)N[C@H]1CCCCCC1=NOC1CCC1 812236979 CXBKQVCCUYUFJK-ZDUSSCGKSA-N 296.411 3.769 30 20 CHED Cc1oc2ccccc2c1C=NOCCOC(C)C 812237730 LCGAHMRUOYWIBH-UHFFFAOYSA-N 261.321 3.517 30 20 CHED CC(C)CC(=NOCCOC(C)C)c1cccs1 812238067 LNUZFUBTNMMSDE-UHFFFAOYSA-N 269.410 3.940 30 20 CHED C=C(C)CNC(=S)NCC1(c2ccccc2)CCCC1 812474095 SQBYBVQBPTYIFM-UHFFFAOYSA-N 288.460 3.539 30 20 CHED FC(F)(F)c1cccc(NN=C2COc3ccccc32)c1 814690209 YCRCXTMQDQNEJZ-UHFFFAOYSA-N 292.260 3.914 30 20 CHED FC(F)(F)c1ccc(NN=C[C@H]2CCCOC2)cc1 814882206 JZJCKFPWQWRGSA-SNVBAGLBSA-N 272.270 3.530 30 20 CHED Oc1ccc(C2CCC(=NNCC(F)(F)F)CC2)cc1 814904404 HNNGUWJIFKMKLA-UHFFFAOYSA-N 286.297 3.558 30 20 CHED CSCc1cnc(C=NOC2CCCCC2)s1 814908925 CHVSMBGGDAATQF-UHFFFAOYSA-N 270.423 3.689 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Cl)o1 814931225 NXUJOXIWCALPQR-UHFFFAOYSA-N 279.683 3.596 30 20 CHED C#CC[C@@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 815876752 NDBWGDIZTMMNJS-NANBGGJNSA-N 281.399 3.694 30 20 CHED C#CCCCCC(=O)Nc1ccccc1C(F)F 819725689 HNOGXWIEJOWDGS-UHFFFAOYSA-N 251.276 3.756 30 20 CHED C[C@@H](NN=C1CCC[C@H](C2CC2)C1)c1ccncc1 819814996 KRCPXRKNYLEJCT-DOMZBBRYSA-N 257.381 3.688 30 20 CHED CC(C)C#CC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 831812207 OFMKOKFZXLYCNQ-HNNXBMFYSA-N 287.378 3.581 30 20 CHED N#Cc1c(Cl)cccc1SCc1cc(C(=O)O)co1 833760857 GJCOLCQKRPXOKV-UHFFFAOYSA-N 293.731 3.795 30 20 CHED C#Cc1cccc(CN[C@H]2CCc3cc(C)ccc32)c1 834901752 BOLHEUQARZXLQU-IBGZPJMESA-N 261.368 3.753 30 20 CHED CC(=NNc1cccc2c1CCCC2)[C@@H]1C[C@H]2CC[C@H]1O2 834942592 PGUAONCUANRKCM-UWWQBHOKSA-N 284.403 3.921 30 20 CHED C(=NOC1CCC1)c1cnc(CCc2ccccc2)s1 834978500 HNMQISATGWLHPK-UHFFFAOYSA-N 286.400 3.831 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1cnc(C)s1 835020440 LUELNHXBPHGSEA-AWEZNQCLSA-N 289.379 3.592 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 837000228 NUISLXLYYVKZBM-QAQDUYKDSA-N 299.414 3.641 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@](C)(COC)C1 837387683 MHOXHTLCPNVLMG-KRWDZBQOSA-N 298.471 3.805 30 20 CHED Cc1ccc(CCC(=O)O[C@H]2CCC[C@H](C#N)C2)s1 839064900 YFOBZSNKJJXQET-STQMWFEESA-N 277.389 3.615 30 20 CHED Oc1ccccc1/C=N/CC1(c2ccccc2)CC1 839386567 SZKOYISDBNCXTL-LDADJPATSA-N 251.329 3.543 30 20 CHED Cc1nc([C@H](C)ON=Cc2ccc(C(C)C)cc2)no1 842018079 NZSGTZJLUISKQM-NSHDSACASA-N 273.336 3.613 30 20 CHED C=CCC[C@@H](OC(=O)c1cccc(SC)n1)C1CC1 842739657 AYDZFWVXRIJSHT-CYBMUJFWSA-N 277.389 3.705 30 20 CHED C=C[C@H](C)ONC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 846545390 NWBYVERUYJPNDT-ZLIFDBKOSA-N 281.355 3.566 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Cl)nc(C2CC2)c1 847016708 NVZVNEUPUOJBIA-LBPRGKRZSA-N 278.783 3.697 30 20 CHED C=CCCCCCCNC(=N)Nc1ccc(OC)cc1 849027813 UKMUQBIINWIYLJ-UHFFFAOYSA-N 275.396 3.768 30 20 CHED CC(CC(C)(C)C#N)=NNCc1cccc(Cl)c1 853316910 ILWCSUHHMYGZHI-UHFFFAOYSA-N 263.772 3.745 30 20 CHED C=CCC(F)(F)C(=O)NCc1cc2cc(C)ccc2o1 855768367 BTIIIIKLJMKTKO-UHFFFAOYSA-N 279.286 3.569 30 20 CHED CCCCCCCNC(=O)N[C@@H]1COCc2ccccc21 858114347 GCCJWDJDPZDZCJ-MRXNPFEDSA-N 290.407 3.528 30 20 CHED CCCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 862354796 GTOJMWKZUYMGNB-JKSUJKDBSA-N 275.392 3.582 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2sccc2C#N)CC1 864255109 JDTGBXYAYPBTIA-GFCCVEGCSA-N 291.420 3.910 30 20 CHED Cc1nc(-c2ccc(C(=O)OC(C)(C)C#N)s2)cs1 870241148 OIQCARBZEDHUCS-UHFFFAOYSA-N 292.385 3.639 30 20 CHED CC[C@@H]1CCCCN1CC[C@@](C#N)(C(C)=O)c1ccccc1 877934066 AMLSUHQNQBPRPR-RTBURBONSA-N 298.430 3.692 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2cccc(OC(C)C)c2)n1 881810567 BCFVLDWWWDISPD-LBPRGKRZSA-N 296.374 3.617 30 20 CHED C=CCCC[C@@H](C)OC(=O)[C@@H]1CCOC2(CCC2)C1 885668045 QTZIHNHXFJSEHA-ZIAGYGMSSA-N 266.381 3.624 30 20 CHED C=CCN(C)C(=O)c1c(Cl)cccc1C(F)(F)F 890049096 CVQPIRSQWLYBGW-UHFFFAOYSA-N 277.673 3.617 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)Cc1ccsc1 899433798 PKTXKZUNFVGWPF-QGZVFWFLSA-N 269.435 3.717 30 20 CHED C[C@H]1/C(=C\c2cccc(OC(C)(C)C)c2)C(=O)c2nccn21 901565731 NKJOBOGZEHNGGA-YGRGUWMTSA-N 296.370 3.901 30 20 CHED CC[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccc(C#N)c1 902820277 QHTVJXHBAWAXQA-XDNAFOTISA-N 298.430 3.803 30 20 CHED CC[C@H](NC[C@@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 903009059 XOEWCRUNZIOCAS-AEFFLSMTSA-N 298.430 3.948 30 20 CHED CC[C@@H](NCc1cnc(C)cc1C)c1cccc(C#N)c1 903014078 NAJSMCVHRMXGOP-GOSISDBHSA-N 279.387 3.811 30 20 CHED C=CCC(CC=C)c1nc(CCCCSC)no1 903785474 YCYBWBIOZVZPOF-UHFFFAOYSA-N 266.410 3.991 30 20 CHED CCCSCc1cccc(-c2cnc(C#N)nc2OC)c1 906157192 DHZNFHDLVFKPML-UHFFFAOYSA-N 299.399 3.667 30 20 CHED C[C@H]1CC[C@H](CCC(=O)OCCCCC2(C#N)CCC2)O1 909036303 WTGLUWQAXKAZPC-LSDHHAIUSA-N 293.407 3.741 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCN2CCCC[C@H]12 915633833 HARDYQHQTFMPBB-IAGOWNOFSA-N 294.483 3.870 30 20 CHED C=CCN(C(=O)c1cccc(OCCC)c1)C(C)C 916046921 ADAFOWJGUGLLKZ-UHFFFAOYSA-N 261.365 3.512 30 20 CHED O=C(O)c1ccc(C=NNc2cccc3c2CCCC3)cc1 917551117 GILOJNMCPOXJTO-UHFFFAOYSA-N 294.354 3.710 30 20 CHED Cc1cc(C)cc(N(C)C(=O)/C=C/c2ccccc2C#N)c1 917829716 CVOGAHMOOIECNM-CMDGGOBGSA-N 290.366 3.851 30 20 CHED C/C(=C\C(=O)OCc1cccc(C#N)c1)c1ccccc1 917977558 KHVWNYLPSRGAPZ-GXDHUFHOSA-N 277.323 3.705 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1ccncc1 918019760 ZRVUBBMDEKYENU-OAHLLOKOSA-N 291.439 3.877 30 20 CHED C[C@H](NN=C1CCc2ccccc21)c1ccccc1 920386181 SUVHHSDRXOYEFL-ZDUSSCGKSA-N 250.345 3.688 30 20 CHED CC#CCCNC(=O)Nc1ccc(C)c(Cl)c1Cl 1116590424 UITNABKBOFNMGB-UHFFFAOYSA-N 285.174 3.837 30 20 CHED Cc1nnn(N=C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C 1119298861 MIHYSCJRCAYICN-SECBINFHSA-N 296.296 3.551 30 20 CHED CCCC[C@@H](C(=O)[C@@H](C#N)c1ncc(Cl)n1C)C(C)C 1123232739 CBEZNAVFWLXURW-VXGBXAGGSA-N 295.814 3.712 30 20 CHED C=C(CC(C)C)C(=O)N1CCC(OC2CCCCC2)CC1 1123836336 IFRUEJDLISNBPO-UHFFFAOYSA-N 293.451 3.929 30 20 CHED C=C(CNC(=O)Cc1cccc(C2CC2)c1)c1ccccc1 1129587558 INGBTPLLXJBHCE-UHFFFAOYSA-N 291.394 3.936 30 20 CHED C[C@H]1CC[C@H](NCc2cc(C#N)ccc2Br)C1 1179597474 BYRLKJXUQFESFF-GWCFXTLKSA-N 293.208 3.599 30 20 CHED N#Cc1cncc(NC[C@@H]2CCCC[C@H]2c2ccccc2)n1 1186450843 GCVUPOFZCUOWFG-RDJZCZTQSA-N 292.386 3.734 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC1(F)F 1263108861 IZNFPJAMXNQKDC-QWHCGFSZSA-N 286.366 3.562 30 20 CHED CC1(C)CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1F 1275426412 XFELOROLIYBBLE-LBPRGKRZSA-N 274.339 3.852 30 20 CHED CCC[C@H](C)CC(=O)Nc1ccc(Cl)cc1C#N 1279077484 LXKZTXHWNCLTOZ-JTQLQIEISA-N 264.756 3.976 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)Nc1sccc1C#N 1310956702 NMYMRHUJMLRLFA-RYUDHWBXSA-N 291.420 3.958 30 20 CHED Cc1ccc(CSCc2cccc(C#N)c2F)nc1 1320094425 LGGWDJOGNVRZRF-UHFFFAOYSA-N 272.348 3.834 30 20 CHED Cc1ccnc(CSCCOc2ccc(C#N)cc2)c1 1320685947 BAOWFOYRXFBZEM-UHFFFAOYSA-N 284.384 3.574 30 20 CHED Cc1cccc(OCCCNc2cccc(CC#N)n2)c1C 1320913130 LVDRQCMZEPTHRA-UHFFFAOYSA-N 295.386 3.646 30 20 CHED N#Cc1cccc(C#N)c1NCCCCOc1ccccc1 1322006756 KLJQIVRBWWKETN-UHFFFAOYSA-N 291.354 3.701 30 20 CHED CC(C)[C@H](CNC(=O)c1csc(C#N)c1)c1ccccc1 1324351768 KKQCMQFSHBWVHS-INIZCTEOSA-N 298.411 3.789 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3CCCCS3)o2)cc1 1327277816 LFTGKBXRZCYEJB-LBPRGKRZSA-N 271.345 3.566 30 20 CHED N#C[C@@H](c1ccccc1)N1Cc2ccc(O)cc2C2(CC2)C1 1327561506 FMXSPQKJECCFLZ-SFHVURJKSA-N 290.366 3.504 30 20 CHED C=C(C)CN(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 1329069674 IVKQMHWLPYBGFQ-UHFFFAOYSA-N 296.370 3.867 30 20 CHED CCOc1ccc2ccccc2c1C(=O)OCC1(C#N)CC1 1336269693 IGHICLQVCUOIHQ-UHFFFAOYSA-N 295.338 3.699 30 20 CHED Cc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1cccc(F)n1 1342641113 LHUMPDXZLKUMBZ-LBPRGKRZSA-N 288.709 3.673 30 20 CHED N#C[C@@H](C(=O)[C@H]1CC=CCC1)c1nc2cccc(Cl)c2[nH]1 1347391999 PJIJOMIWCYZPLW-QWRGUYRKSA-N 299.761 3.749 30 20 CHED C=C(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 1347917670 KIBUSYJFPDZDCH-UHFFFAOYSA-N 274.389 3.793 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)c2ccc(F)cc2F)C1 1347999287 MQUSTVXVCKVWGW-OLZOCXBDSA-N 293.357 3.883 30 20 CHED C=C[C@](C)(CC)c1nnc(-c2nnc(-c3ccccc3)o2)o1 1349977328 NUJRNIGZRLTACA-MRXNPFEDSA-N 296.330 3.640 30 20 CHED C=C(C)CCC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1353549073 IBBDICFVRCDEKE-UHFFFAOYSA-N 284.403 3.899 30 20 CHED Cc1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)cc1-n1cccc1 1357608356 DYZZGACBPLXBQF-HOCLYGCPSA-N 294.354 3.635 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@@H]1CC[C@@H](C#N)C1 1357639894 UGISZTZWUNSYLT-CHWSQXEVSA-N 283.327 3.519 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(F)c(C#N)c1 1360272639 WSBALBPYAOVJAD-STQMWFEESA-N 288.366 3.644 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cccc3c2CCCC3)c1 1436643445 FRPWAJBNDWNGOA-UHFFFAOYSA-N 294.329 3.828 30 20 CHED C[C@@H](OC(=O)c1cccc2c1CCC2)c1cccc(C#N)c1 1457758854 DKHUGULXOASTOM-CYBMUJFWSA-N 291.350 3.965 30 20 CHED CC(C)N1CCCC[C@H]1CN(CCC#N)CC(C)(C)C 1459544605 ZDMOVPLCRINBPV-INIZCTEOSA-N 279.472 3.511 30 20 CHED Cc1nsc(N[C@@H]2CCC(C)(C)C[C@H]2C)c1C#N 1472717882 YJEFHVVXYLUFLI-BXKDBHETSA-N 263.410 3.950 30 20 CHED CN(Cc1cc(F)cc(F)c1)[C@@H](C#N)c1ccccc1 1473446825 UUDMNLJOBJZVHD-INIZCTEOSA-N 272.298 3.661 30 20 CHED Cc1csc(CNC(=O)Nc2cc(C#N)ccc2C)c1 1476231874 FNZKIEKQSPJTJZ-UHFFFAOYSA-N 285.372 3.558 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCC[C@H](CC)C1 1520422330 KMXITOCVPWBZEC-OLZOCXBDSA-N 294.468 3.515 30 20 CHED CCCN(C(=O)c1cccc(CC#N)c1)c1ccccc1F 1532602336 AMYDFHWQMXBIBZ-UHFFFAOYSA-N 296.345 3.949 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2ccc(C#N)cc2F)C1 1544820022 HXUDZEJIHTYSCL-QGZVFWFLSA-N 288.366 3.740 30 20 CHED CC1(C)CC=C(C(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 1556499867 PLYGINGYJDRDSD-CQSZACIVSA-N 274.408 3.664 30 20 CHED CCOc1ccc(C#N)cc1NC[C@H](OC)C1CCCC1 1560744382 LIOKFGZAAQBBHI-KRWDZBQOSA-N 288.391 3.574 30 20 CHED CC[C@H]1CCC[C@@H]1Nc1nc(C#N)c(Cl)s1 1642442203 XYXOEXPKDXWIRN-YUMQZZPRSA-N 255.774 3.659 30 20 CHED CCc1nc(C#N)cc(N(CC)[C@H](CC)c2ccccc2)n1 1651448446 NSFBLTUFQPVZOQ-MRXNPFEDSA-N 294.402 3.888 30 20 CHED CC[C@@H](C)[C@H](C)N(CCc1ccc(C#N)cc1)C1CC1 1657279845 AMOOZIFCVVWGFH-CABCVRRESA-N 270.420 4.000 30 20 CHED CC(C)CC1CCN(Cc2cccc(F)c2C#N)CC1 1657375831 FMHVRKXQTFHXQP-UHFFFAOYSA-N 274.383 3.955 30 20 CHED CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C1(C)C 1663584158 HQVRBMZSAHCGEY-SJORKVTESA-N 286.419 3.502 30 20 CHED Cc1cc(C)cc(CCNC(=O)Nc2sccc2C#N)c1 1678962612 HXTYQBVPQFIBRY-UHFFFAOYSA-N 299.399 3.601 30 20 CHED O=C(O)c1cccc(NN=C/C=C/c2cccc(F)c2)c1 1776038090 RLYRPFIPCBKMSU-UDUWGJAJSA-N 284.290 3.635 30 20 CHED C[C@@H](ON=C1CC[C@@H](C(=O)O)[C@H](C)C1)c1ccccc1 1776083274 VGYSUFUSBXDNQB-LALPHHSUSA-N 275.348 3.641 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(CC(=O)O)cc2)CC1 1776085681 FBGUDGUKGZUAMU-GFCCVEGCSA-N 274.364 3.682 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C)c(C(=O)O)c2)cc1 1776114205 JADVVAQVSBDRPR-JXMROGBWSA-N 280.323 3.898 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(C(=O)O)cc2O)cc1 1776968893 HOFXTRKVLCTDIG-YFHOEESVSA-N 296.322 3.549 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1[N+](=O)[O-] 5129830 CLSUNQDXKDSOPH-SOFGYWHQSA-N 285.274 3.938 30 20 CHED C[C@H](NC(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1 26111448 SWZRDBHBYQLAQG-VIFPVBQESA-N 290.775 3.764 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 35255676 RZOWPSVCDLPUKL-NSHDSACASA-N 267.288 3.640 30 20 CHED Cc1noc(C)c1CNc1ccc(C#N)cc1C(F)(F)F 36973742 WJVXVSBVFBNSLS-UHFFFAOYSA-N 295.264 3.794 30 20 CHED C=CCSCC(=O)N[C@@H](CCC)c1ccccc1 44334019 QHXOVTOJWNPNEU-AWEZNQCLSA-N 263.406 3.563 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(Cl)ccc1F 44765619 HXEMZFPFZFNOJZ-UHFFFAOYSA-N 268.719 3.748 30 20 CHED Cc1cccc(OC(=O)CCc2ccc(C#N)cc2)c1C 53677989 JCWROQRWGNFZBQ-UHFFFAOYSA-N 279.339 3.713 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 55352786 JAEKKVCLMLKWSF-QGZVFWFLSA-N 276.339 3.617 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)C2(C#N)CCCC2)cc1 56301986 CNLAWBOIYOODPO-ZDUSSCGKSA-N 286.375 3.886 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3cc(F)ccc32)c([N+](=O)[O-])c1 57141702 JKBMFBWQWKETTP-CQSZACIVSA-N 297.289 3.705 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)Cn1cccn1 59487431 KZGBKECRBMZAAZ-GJZGRUSLSA-N 251.418 3.610 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc2ncccc2c1 60160121 VYXCSOBMSDKSBM-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C#CCN(C(=S)Nc1ccc(C)cc1)C1CCCCC1 65705101 RHPJUIFQVCURGJ-UHFFFAOYSA-N 286.444 3.960 30 20 CHED Cc1c(C(=O)N(C)C2(C#N)CCC2)oc2c(C)cccc12 66321410 BUTGZHXULTWZOC-UHFFFAOYSA-N 282.343 3.568 30 20 CHED C#CCCOC(=O)c1csc(-c2ccccc2Cl)n1 67627989 XVSJRLHPOYPXMC-UHFFFAOYSA-N 291.759 3.644 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1cccc(OCC#N)c1 67815649 HLHJRBCMZZJLMW-ZDUSSCGKSA-N 274.364 3.600 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)c1cccc(C(C)C)c1 69360012 GVTJBXJMYNMKJU-CQSZACIVSA-N 275.392 3.754 30 20 CHED Cc1cccc(CCC(=O)N[C@H](C)c2cccc(C#N)c2)c1 75275174 VSUADZBLTFRZRC-OAHLLOKOSA-N 292.382 3.677 30 20 CHED CCN(C(=O)c1cc(C)oc1C)[C@@H](C)c1ccc(C#N)cc1 75440002 MZZDUDZRMVHAGA-ZDUSSCGKSA-N 296.370 3.991 30 20 CHED C=CCOc1ccc(C(=O)N(C(C)C)C2CCC2)cc1 78185282 FXEWGQGSANLIGP-UHFFFAOYSA-N 273.376 3.655 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)c1cccc(SCC#N)c1 79532588 NLWMBOGKWZGDER-QWHCGFSZSA-N 290.432 3.857 30 20 CHED CC(C)Oc1ccccc1CN(CCC#N)CC1CC1 81043721 PMULPMXPNAGPPS-UHFFFAOYSA-N 272.392 3.599 30 20 CHED N#Cc1c(Cl)nsc1Oc1cc(F)cc(F)c1 92631140 BPISKJTYBCNLGL-UHFFFAOYSA-N 272.663 3.739 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)cn1 92765988 MPIDQOQCGNIAJS-NEPJUHHUSA-N 269.323 3.504 30 20 CHED Cc1ccc(C#N)c(N(C)C2CCC(C)(C)CC2)n1 94858969 UFBJTWSYSPZWEF-UHFFFAOYSA-N 257.381 3.667 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)CCc2ccc(C#N)cc2)C1 96992041 QXIDJAQHFRRLAQ-CZUORRHYSA-N 271.360 3.613 30 20 CHED C=C(C)COC(=O)Cc1csc(-c2cccc(F)c2)n1 96999636 WOENTBBZSAKFSM-UHFFFAOYSA-N 291.347 3.611 30 20 CHED Cc1c(C(=O)N[C@@](C)(C#N)C(C)C)oc2c(C)cccc12 97106150 JQXRKEIRDQLKGK-KRWDZBQOSA-N 284.359 3.718 30 20 CHED C=CCn1c(C)nnc1SC/C=C\c1ccccc1 97658382 YJXFSBKLTXPTCG-YFHOEESVSA-N 271.389 3.578 30 20 CHED CCCCCCOc1ccc(C(=O)N[C@@H](C#N)CC)cc1 102350981 DIFLGRCIJDXVEH-OAHLLOKOSA-N 288.391 3.678 30 20 CHED CCN(Cc1cscn1)[C@@H](C)c1ccc(C#N)cc1 102949701 INFVKNWRINYENS-LBPRGKRZSA-N 271.389 3.598 30 20 CHED C=CCCOC(=O)CCc1ncc(-c2ccc(C)cc2)o1 103650233 WVKBIOZDNYFJPS-UHFFFAOYSA-N 285.343 3.702 30 20 CHED CCCCCCCN1CCc2ccccc2[C@@H]1C(=O)O 105903829 RYDCKMHUGOFZKR-MRXNPFEDSA-N 275.392 3.641 30 20 CHED C=CC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 110595603 VUOJWFKDZNEGDV-UHFFFAOYSA-N 283.331 3.545 30 20 CHED C#CCOc1cccc(NC(=O)c2coc3ccccc23)c1 113052561 TYFQKTCTPMYDPN-UHFFFAOYSA-N 291.306 3.697 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)c1cccs1 114604869 OHURQUHWKUKELJ-UHFFFAOYSA-N 280.437 3.633 30 20 CHED COCCCCCSc1nc2c(cc1C#N)CCCC2 116611340 RPFARQSJJJPFFO-UHFFFAOYSA-N 290.432 3.741 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(Cl)ccc2F)C1 116807995 HTRPVMGPTIWXEJ-BMIGLBTASA-N 294.757 3.681 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1OC(C)C 117001041 CMLATSJDIBEHGP-LBPRGKRZSA-N 262.353 3.560 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(C#N)cc1 118851230 RTTNYILUPRNQMC-COXVUDFISA-N 254.377 3.711 30 20 CHED C=CCC[C@H](NCc1ccc(F)c(COC)c1)C1CC1 121262297 GSOFNNVXFFRXTL-KRWDZBQOSA-N 277.383 3.807 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCc2nccs2)c1 123035502 KYQVRUSEEKZDHB-UHFFFAOYSA-N 297.305 3.688 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)C(C)C 123136114 JABZQWDRTPMJHM-HOCLYGCPSA-N 259.393 3.582 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(C)c(C)c1 129251162 BVUMRLDWUJYQGX-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CCc1cc(C#N)c(NC(=O)CC2CCSCC2)s1 129749679 PKYCEPQXEZFVSG-UHFFFAOYSA-N 294.445 3.654 30 20 CHED Cc1ccoc1CN[C@H](CCC#N)c1ccccc1 130491193 CQRHRRGLSPETDE-OAHLLOKOSA-N 254.333 3.723 30 20 CHED C=CCS[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C 134027596 OJJJDKSZZOASNY-CHWSQXEVSA-N 275.417 3.662 30 20 CHED CC[C@H](C#N)NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 157988783 GIIRIWZZVQGELB-CZUORRHYSA-N 272.392 3.722 30 20 CHED C=CCn1c(SCC2CC2)nnc1-c1ccccc1C 158140894 JDIKGLFAPJKFNU-UHFFFAOYSA-N 285.416 3.942 30 20 CHED Cc1cccc(C(=O)N(CC#N)C2CCCC2)c1Cl 162011326 PXSBCXVNPNWHBU-UHFFFAOYSA-N 276.767 3.557 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 163363146 GPPGAARFZAHUMN-VIFPVBQESA-N 279.689 3.988 30 20 CHED C[C@@H](O)c1ccc(CNc2c(F)cc(C#N)cc2F)cc1 171830658 XHUPSDFPLBPAQV-SNVBAGLBSA-N 288.297 3.502 30 20 CHED Cc1ccc(-c2noc(Cc3ccc(C#N)cc3)n2)cc1 172055983 WTQVCCTVGCPTMC-UHFFFAOYSA-N 275.311 3.508 30 20 CHED Cc1ccc2c(c1)OCCN2CCCC(C)(C)C#N 174874587 CGUFOLRGTGNZFS-UHFFFAOYSA-N 258.365 3.524 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CC2CCCCCC2)n1 175081459 KWUTURCMWOPOBL-ZDUSSCGKSA-N 276.405 3.988 30 20 CHED Cc1cc(Cl)cc(NC(=O)c2cc(C#N)cs2)c1O 176298403 TZQMHIYFOWKTSH-UHFFFAOYSA-N 292.747 3.540 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2ccc(C#N)s2)cc1 176409726 CIQQYWKKXXUODD-ZHACJKMWSA-N 296.395 3.972 30 20 CHED CC[C@@H](CC(=O)N[C@@H](C#N)C1CCCCC1)C(C)C 176595332 UDJPMLWTOGIXJN-ZFWWWQNUSA-N 264.413 3.647 30 20 CHED N#Cc1csc(/C=C/C(=O)c2c[nH]c3ccccc23)c1 176842997 VCQKUFOJIGGHLG-AATRIKPKSA-N 278.336 3.997 30 20 CHED C=CCCCC(=O)Nc1c(-c2ccco2)nc2ccccn12 177615621 RTWIJLDZUPJYJT-UHFFFAOYSA-N 295.342 3.889 30 20 CHED O=C1/C(=C/c2cccs2)COc2c(F)ccc(F)c21 181474916 GQFWDMHZQGKBEA-SOFGYWHQSA-N 278.279 3.685 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)C 181503811 APLGZEAMLCVPNZ-OAHLLOKOSA-N 296.361 3.879 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1cccc(C(F)(F)F)c1 181608471 GRSCXKLPRZXMMI-FZMZJTMJSA-N 287.325 3.683 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cccc(-c2cnco2)c1 185425969 GLOILJFTPGAXJG-GFCCVEGCSA-N 270.332 3.882 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1O 185836763 CZWWXTMWFIJXGS-GFCCVEGCSA-N 291.391 3.609 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)CSc1ccc(C)cc1 187589487 PGARLEMFKNKLOB-AWEZNQCLSA-N 289.444 3.641 30 20 CHED C#CCCCC(=O)NC(c1cccs1)c1cccs1 192335762 UTKQQEYUUXXKEB-UHFFFAOYSA-N 289.425 3.819 30 20 CHED O=C(/C=C/c1c(Cl)nc2ccccn12)c1cccs1 192764191 SGKOSQUIMRBHPM-VOTSOKGWSA-N 288.759 3.945 30 20 CHED COc1cc(/C=C2/Cc3cc(O)ccc3C2=O)ccc1C 193150517 PFFFIJUXMGDCFU-AUWJEWJLSA-N 280.323 3.532 30 20 CHED C=CCN(Cc1cnn(C=C)c1)Cc1ccc(Cl)s1 193625572 NEWXUQWGISVZIA-UHFFFAOYSA-N 293.823 3.887 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccoc1Br 193830943 LQYALZONSNYWQK-SECBINFHSA-N 286.169 3.517 30 20 CHED C[C@@H](CC#N)NC(=O)CCCc1ccc(Cl)c(Cl)c1 194638190 QFXCAHYWQSTNPU-JTQLQIEISA-N 299.201 3.734 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1ccccc1O 207160916 PSRVYCAIOIMQNY-VURMDHGXSA-N 260.239 3.567 30 20 CHED COc1ccc(C(=O)/C=C\C2=Cc3ccccc3OC2)cc1 207874018 XCVDMVGUCKZDFJ-WDZFZDKYSA-N 292.334 3.910 30 20 CHED C#CCSCCN[C@H]1CCSc2ccc(Cl)cc21 222116614 XOBFNVKXSPTTQC-ZDUSSCGKSA-N 297.876 3.833 30 20 CHED Cc1noc(C)c1[C@@H](C)NCCCCC(C)(C)C#N 235192578 RTTXHDULQQZKRT-LLVKDONJSA-N 263.385 3.662 30 20 CHED C[C@@H]1CN(CCCCC#N)CC[C@H]1c1ccccc1 246937107 QPCBLXAULHPFNR-NVXWUHKLSA-N 256.393 3.806 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cccnc2Cl)c1 255144855 BEZCOCNZRZFZRZ-ALCCZGGFSA-N 273.719 3.645 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3ccsc3)cnc12 255333429 UGQZRXGYBVKSEM-PLNGDYQASA-N 268.341 3.600 30 20 CHED CSC(C)(C)C/N=C\c1cc(Cl)ccc1O 255456417 AACRHWOKXCDGBI-AUWJEWJLSA-N 257.786 3.606 30 20 CHED O=C(/C=C\c1ccc(Cl)s1)c1cc(O)cc(O)c1 255872855 MMHYMGDTKKVQKB-IWQZZHSRSA-N 280.732 3.709 30 20 CHED CCCCCCCC(=O)Nc1c(C)nn(CC)c1C 266070624 CCDALCCJWUEPRN-UHFFFAOYSA-N 265.401 3.819 30 20 CHED Fc1ccccc1-c1cnc(CON=C2CCC2)o1 267849322 BHPMKWFSYKNKBF-UHFFFAOYSA-N 260.268 3.537 30 20 CHED N#CCCCCNc1cncc(SCc2ccccc2)n1 269928389 MNCQGZBMUABNRH-UHFFFAOYSA-N 298.415 3.875 30 20 CHED N#Cc1ccn(Cc2csc(C3CCCC3)n2)c1 270009686 BGDDFEQYDWPKRK-UHFFFAOYSA-N 257.362 3.522 30 20 CHED CC(C)CN(C(=O)c1ccc(CC#N)cc1)C1CCCC1 270346080 MVTYKDOJFCWSSZ-UHFFFAOYSA-N 284.403 3.793 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(-c2ccccc2F)o1 271121321 HYMRLUWMDXDKLK-GFCCVEGCSA-N 272.323 3.677 30 20 CHED CCc1cnc(CN[C@H](C)c2ccc(C#N)c(F)c2)s1 271943835 MUNCXYHSRUUMCK-SNVBAGLBSA-N 289.379 3.567 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(F)cc2Cl)[C@H]1C#N 278095490 YVNPBHZMTDNBEA-ZDUSSCGKSA-N 294.757 3.633 30 20 CHED CC[C@H](N[C@@H](C)Cc1c(C)noc1C)c1ccc(C#N)cc1 278835113 ULNJWQMSMGKRLX-SGTLLEGYSA-N 297.402 3.835 30 20 CHED CC[C@@H]1CCc2ccccc2N1C(=O)c1cc(C#N)oc1C 280931629 HKDDCHJUTOJDFG-CQSZACIVSA-N 294.354 3.831 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(C#N)oc1C 281413161 XGPBZDBLDFITSX-NHYWBVRUSA-N 274.364 3.501 30 20 CHED CC(C)(C#N)CCCCn1cncc(-c2ccccc2)c1=O 282126230 BXJCDNURVSHMPD-UHFFFAOYSA-N 295.386 3.630 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1ccc(SC)cc1 282246982 OIHQKXOHVUIWMJ-ZDUSSCGKSA-N 290.432 3.853 30 20 CHED Cc1c(C(=O)N[C@@](C)(C#N)C(C)C)oc2ccc(F)cc12 283835251 HARLNYYTSVIDIE-INIZCTEOSA-N 288.322 3.548 30 20 CHED C=CCC[C@H](NCc1cccc(NC(=O)OC)c1)C1CC1 287752375 ZKDKHKFNRBVCAG-INIZCTEOSA-N 288.391 3.699 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@H]2CCCC[C@@H]2C)no1 289064018 GKMGPKWZYOJXRI-HEHGZKQESA-N 278.396 3.844 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(CSC)cc2)no1 289085279 JJGVJPNHAGMKKD-HNNXBMFYSA-N 287.388 3.791 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)c2cccs2)cc1 290111060 FLICNGJMJDKXCP-IUODEOHRSA-N 298.411 3.795 30 20 CHED CC[C@H](CC#N)NC(=O)C1(c2ccccc2C)CCCC1 292315465 IKWCMVCJNICVOW-OAHLLOKOSA-N 284.403 3.615 30 20 CHED Cc1ccc(OC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 293178166 SIQFAXSEHSMNFG-HZPDHXFCSA-N 284.403 3.531 30 20 CHED C#CCCCCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 294212066 PKQZFSYUNBQXGM-GOSISDBHSA-N 281.399 3.934 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 295107296 HEEAKUTYWVTQFX-UKRRQHHQSA-N 275.367 3.790 30 20 CHED N#C[C@H]1CC[C@H](N2CCc3c(Cl)cc(F)cc3C2)C1 295763010 RTYYHMIANWWXKU-GWCFXTLKSA-N 278.758 3.529 30 20 CHED C[C@H](Nc1ncnc2sccc12)c1cccc(C#N)c1 301426577 HCEJGWQIXHDCCC-JTQLQIEISA-N 280.356 3.736 30 20 CHED C[C@@H](CCc1cccn1C)Nc1ccc(C#N)c(Cl)c1 301473857 VFJKXUGTHYBZRG-LBPRGKRZSA-N 287.794 3.983 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C#N)cc2)CN1Cc1ccccc1 301641447 YZWPDTMMEHBDIU-HNAYVOBHSA-N 291.398 3.633 30 20 CHED CC[C@H](C)C[C@H](C)Nc1snc(Cl)c1C#N 301955991 MBMUAURFVLHKOV-YUMQZZPRSA-N 257.790 3.905 30 20 CHED CCOc1ccc2c(c1)[C@@H](Nc1ccc(C#N)cc1)CCO2 302447024 SHILURUEYFYOAW-KRWDZBQOSA-N 294.354 3.893 30 20 CHED N#Cc1cccc(C#N)c1N1CCc2cc(Cl)ccc2C1 302897858 RQDPMEFITKFCOW-UHFFFAOYSA-N 293.757 3.646 30 20 CHED N#Cc1cccc(C#N)c1Oc1cc(Cl)ccc1[N+](=O)[O-] 302911599 ZSWAZMPQMDQNCR-UHFFFAOYSA-N 299.673 3.784 30 20 CHED Cc1cc(C#N)cc(NCc2ncc(Cl)s2)c1 308098120 ATPKNYFAUBEXIQ-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=CC[C@@H](CC)NCc1ccccc1Br 308949627 ORUMTFXJLADSOW-GFCCVEGCSA-N 268.198 3.893 30 20 CHED CC1(C)CC[C@H]1NCc1ccc(Br)cc1C#N 310302879 QTNVQMKEUSRRSC-CYBMUJFWSA-N 293.208 3.599 30 20 CHED N#Cc1cc(CN[C@@H]2CCCC23CCCCC3)ccn1 312973332 JSHNRXNQMDTEOU-MRXNPFEDSA-N 269.392 3.546 30 20 CHED CC[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 313439453 CATRPKHDZCAXHE-QGZVFWFLSA-N 278.355 3.885 30 20 CHED C[C@H]1CCCN(C(O)=Nc2nccn2-c2ccccc2)CC1 328746741 OTPIACSFFJFKCH-AWEZNQCLSA-N 298.390 3.540 30 20 CHED N#CC1(/N=C(/O)[C@@H]2CCC(=O)c3ccccc32)CCCCC1 328816261 OMPGWZMRVALJRE-OAHLLOKOSA-N 296.370 3.930 30 20 CHED C[C@H]1CCC[C@H](C(O)=Nc2cccc3c2CN=C3O)C1 329266451 HJTHPXDNVHGDIH-QWRGUYRKSA-N 272.348 3.919 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C(/O)[C@@H]1CCC(O)=NC1)CCC2 329289321 AESHDTJUSSSYTR-HIFRSBDPSA-N 286.375 3.695 30 20 CHED O/C(=N/CCOC1CCCCC1)c1cccnc1C1CC1 329555880 KSMJOFNVCFVSQN-UHFFFAOYSA-N 288.391 3.613 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2ccccc2CC#N)C1 330830815 IVTZURCGUJBZQC-STQMWFEESA-N 256.349 3.517 30 20 CHED N#C[C@]1(C(=O)NC2CC(c3ccccc3)C2)CC12CCCC2 333375703 ANWHAJSCEBCCMK-RJYAGPCLSA-N 294.398 3.523 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3sccc32)cc1F 334671787 PKYOYGKPHKDCDK-OAHLLOKOSA-N 286.375 3.926 30 20 CHED N#C[C@H]1CC[C@@H](Sc2ccc3c(c2)OCCCO3)C1 336193126 GWEWZIVHXHGNEB-NWDGAFQWSA-N 275.373 3.632 30 20 CHED Cc1cc(CN2CCC(C#N)(c3ccccn3)CC2)cs1 336212219 PVPIAFYCHZWYLV-UHFFFAOYSA-N 297.427 3.509 30 20 CHED CC1(C#N)CCC(N[C@H]2CCOC3(CCCC3)C2)CC1 336216048 XZGZVEPTPHYFME-PCKAHOCUSA-N 276.424 3.540 30 20 CHED N#CC1(CCCN(Cc2ccccc2)C2CC2)CCOCC1 337122641 BCKIJISLSBTCEP-UHFFFAOYSA-N 298.430 3.752 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1C(C)(C)C 337850173 FNZBSCYGGSDAHD-OAHLLOKOSA-N 270.376 3.517 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1c1ccccc1 337898162 NKDCXMAKONJFPP-GOSISDBHSA-N 290.366 3.844 30 20 CHED CCc1cccc2c(CCNc3cc(C#N)ccn3)c[nH]c12 342214851 JDMIFHVTVXNDRK-UHFFFAOYSA-N 290.370 3.652 30 20 CHED N#Cc1ccnc(NCc2ccc(C3CCC3)cc2)c1 343203201 IDYYGCRNYLUOEZ-UHFFFAOYSA-N 263.344 3.833 30 20 CHED C=CCCN(C)Cc1nc(-c2ccccc2)cs1 343462517 AZZYMBKLKRATNT-UHFFFAOYSA-N 258.390 3.818 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 343522725 KELDWPPRZFKQQD-NSHDSACASA-N 274.339 3.782 30 20 CHED Cc1ccccc1CN(C(=O)c1cccc(C#N)c1)C1CC1 346303981 SBOAEOARHOHFSK-UHFFFAOYSA-N 290.366 3.672 30 20 CHED COc1cc(C#N)ccc1CSc1ccc(C#N)cc1 346457149 ACYZRDPORLWOAJ-UHFFFAOYSA-N 280.352 3.731 30 20 CHED C=CCCC1(c2nc([C@@H]3COc4ccccc4O3)no2)CC1 347124378 OGIHLIDJSSSZIJ-AWEZNQCLSA-N 298.342 3.580 30 20 CHED Cc1cc(CN2C[C@@H](C)C[C@H]2c2cccnc2)ccc1C#N 347218036 HPIAXWPTXIBXBQ-LIRRHRJNSA-N 291.398 3.845 30 20 CHED Cc1c([C@@H](C)NC[C@@H](C#N)CCC#N)oc2ccccc12 348009078 RHBMCJKXWRNUSV-ZIAGYGMSSA-N 281.359 3.835 30 20 CHED C=CCCCCN[C@H](C)c1ccc(NC(C)=O)cc1 349357521 TXCZQVRFJZSTKY-CYBMUJFWSA-N 260.381 3.652 30 20 CHED C=C(CNC(=O)Nc1ccsc1)c1ccccc1 349916329 OIBYYFSVFHDKDW-UHFFFAOYSA-N 258.346 3.583 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CC(C)(C)CC 354098338 WJBHYRFXXATGTK-UHFFFAOYSA-N 273.380 3.755 30 20 CHED C=CCOc1cccnc1-c1nc([C@H]2CCCC[C@H]2C)no1 356581950 HLTFXINSPRZTAQ-OLZOCXBDSA-N 299.374 3.990 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)[C@@H](C)C1CCC1 358950354 IQHUKNPYPIYFOE-ZDUSSCGKSA-N 288.439 3.747 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(C2CCCC2)no1 359924828 PGGFMBIBHXQEBU-LLVKDONJSA-N 267.332 3.751 30 20 CHED N#Cc1ccc(N2CC=C(c3cccc(Cl)c3)CC2)cn1 359950856 VTCXIDPKDLYCFW-UHFFFAOYSA-N 295.773 3.900 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@H](c2cccc(F)c2)C1 360050614 BZXNACYIQAGEMN-XJKSGUPXSA-N 281.334 3.841 30 20 CHED C=CCCCC(=O)N[C@H](c1ccccc1)C1CCOCC1 365838958 LBRSRCZRJWVMBC-GOSISDBHSA-N 287.403 3.627 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 395401307 SSHHRHHZDBPNHI-LBPRGKRZSA-N 293.407 3.575 30 20 CHED C=CC(C)(C)CNC[C@@H](O)c1cccc(C(F)(F)F)c1 395417102 ZPMXJOPEPXLXNS-CYBMUJFWSA-N 287.325 3.541 30 20 CHED CCCCCCCCN1C[C@@H](C(=O)O)CC[C@H]1C 397022511 IKQDUGNKBQGBEC-KGLIPLIRSA-N 255.402 3.532 30 20 CHED Cc1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)cc1Cl 397771750 MYHYWVKLMKAODB-LBPRGKRZSA-N 291.782 3.806 30 20 CHED Cc1ccc(NCc2ccc(CC#N)cc2)c(C)c1 398944389 ADXDXTNYBGRFAJ-UHFFFAOYSA-N 250.345 3.982 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 399263640 RBUYOFZXKPAVKG-KRWDZBQOSA-N 256.393 3.763 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 410833385 GQODXFDYSYVMAY-ZJIFWQFVSA-N 276.424 3.744 30 20 CHED CC[C@H](CC#N)NC(=O)c1cccc(Cc2ccccc2)c1 412247144 KRLCJTINEOCCMJ-GOSISDBHSA-N 292.382 3.699 30 20 CHED C=CCC[C@@H](NCC(C)(C)c1cccnc1)C1CC1 414327329 GAQKFGYPSIMTPC-MRXNPFEDSA-N 258.409 3.694 30 20 CHED Cc1ccc(C(=O)NCC2(C#N)CCC2)c2ccccc12 416355822 UQYDVHIMTVHKLW-UHFFFAOYSA-N 278.355 3.572 30 20 CHED N#CC1(CCCSCCC2CCOCC2)CCOCC1 419473115 CMHRSSVMGQBANT-UHFFFAOYSA-N 297.464 3.637 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1cccc(OC)c1 421871892 GICMNLVVETYHAQ-INIZCTEOSA-N 286.400 3.869 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H](CC(F)(F)F)C1 421957619 IRSAMIPGLGRNPM-GFCCVEGCSA-N 289.341 3.946 30 20 CHED CO[C@H](COc1ccc(C#N)c2ccccc12)C1CC1 424095872 BJXAGXGBBAVTTK-QGZVFWFLSA-N 267.328 3.515 30 20 CHED C=CCn1cc(CN[C@H](C)c2ccc(CCCC)cc2)nn1 424299458 VFWYHMWKROHOLM-OAHLLOKOSA-N 298.434 3.658 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2CCc3cccnc32)CCCC1(C)C 425267852 NHTSVPACTYRFEY-HZPDHXFCSA-N 298.430 3.705 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 429236667 UPOPJKAWELFDTL-LBPRGKRZSA-N 291.310 3.748 30 20 CHED CN(CC(C)(C)C#N)[C@@H]1CCCc2ccc(F)cc21 433291597 WPBVGUNEWNUXQE-OAHLLOKOSA-N 260.356 3.685 30 20 CHED Cc1ccc(F)cc1CN(C#N)c1ccc(F)c(C#N)c1 438299433 OEWURCQWUYGVQT-UHFFFAOYSA-N 283.281 3.633 30 20 CHED CCN(CCN1CCCCCC1)[C@@H](C)c1ccc(C#N)cc1 438990862 KYSKAJGNXWWGMO-KRWDZBQOSA-N 299.462 3.817 30 20 CHED CCC(C)(C)CC(=O)N[C@H](CCC#N)c1ccccc1 439666963 JFSAOKWGWICHQN-OAHLLOKOSA-N 272.392 3.974 30 20 CHED C[C@@H]1CC[C@@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)C1 443508050 JLDWEWWJNVQODW-NXEZZACHSA-N 283.297 3.597 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 444666296 AAIYZBCFCIAJKI-ZDUSSCGKSA-N 289.379 3.965 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1 448666824 HOWITAGJULNDIU-VXGBXAGGSA-N 296.292 3.625 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)CC1 448958309 WOFDPCKBPHJCAY-MSOLQXFVSA-N 283.415 3.995 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 448982593 CSRCSILUELWNDS-GOSISDBHSA-N 271.404 3.779 30 20 CHED N#Cc1cccc(N2CCC[C@H]2c2cccs2)c1[N+](=O)[O-] 450220013 GKDGHNOXPXSSMD-LBPRGKRZSA-N 299.355 3.869 30 20 CHED C=CCCC1(C(=O)NCC[C@H]2CCc3ccccc32)CC1 452311403 GKUIZQLAMJKRLG-MRXNPFEDSA-N 283.415 3.969 30 20 CHED C=CC[C@H](C(=O)NC[C@@H](OC)[C@H](C)CC)c1ccccc1 452417412 RVBPSJNQMLNNLP-HYVNUMGLSA-N 289.419 3.524 30 20 CHED C=CC(C)(C)CNC(=O)[C@@]1(C)CCc2ccccc2C1 452775603 OQQZGBDRFWSBGJ-SFHVURJKSA-N 271.404 3.510 30 20 CHED C=CCCc1noc(COc2ccc(Cl)cc2C)n1 453244477 FJFFRVRRYJEJPG-UHFFFAOYSA-N 278.739 3.729 30 20 CHED C[C@@H](NC(=O)NCCC(C)(C)C1CC1)c1ccc(C#N)cc1 454342379 FOISKUBMZWWTJX-CYBMUJFWSA-N 299.418 3.745 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C 455171628 QWNDVNGBHATEKW-UHFFFAOYSA-N 291.351 3.627 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1sc(C)nc1C 455361754 FJOSCWUCEBKIQO-LLVKDONJSA-N 295.452 3.675 30 20 CHED C=CCC1(NC(=O)Cc2ccc(Cl)cn2)CCCCC1 456363067 IDKQSROFKFFQMH-UHFFFAOYSA-N 292.810 3.673 30 20 CHED C=CCC1(CNC(=O)c2cc(F)c(O)c(F)c2)CCCC1 456481345 AZMBOUNQTBUKHG-UHFFFAOYSA-N 295.329 3.537 30 20 CHED C=C(CC)CNC(=O)Cc1coc2cc3c(cc12)CCC3 456828681 MUUMPEKGYHOCMJ-UHFFFAOYSA-N 283.371 3.546 30 20 CHED CCC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CCC1 457836521 XSRXJPNZRQAPET-GUYCJALGSA-N 299.418 3.887 30 20 CHED CC[C@H](CC(=O)NCC(C)(C)CC#N)c1ccc(C)cc1 457987407 ATVKKNUEFNDNML-OAHLLOKOSA-N 286.419 3.935 30 20 CHED C=CCC[C@H](CCC)NCC[C@H]1C[C@H]2CC[C@H]1O2 459665993 LAPSVUYWCTWTFS-CAOSSQGBSA-N 251.414 3.669 30 20 CHED CC(C)(CC#N)CNCc1ccc(Cl)cc1F 459731462 NQMOXBFCJXIVSW-UHFFFAOYSA-N 254.736 3.509 30 20 CHED C=CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1ccccc1 459934188 SLIJMZLQTJDMFJ-IJEWVQPXSA-N 255.361 3.642 30 20 CHED CC#CCCSCCCOc1ccc(F)cc1 462380014 LPVFSJCPNVSAGY-UHFFFAOYSA-N 252.354 3.741 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 464397229 HSXQHQRMWXEAEJ-IVMMDQJWSA-N 284.403 3.711 30 20 CHED C=CCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 464723741 NYGHKFMKDCLQHJ-UHFFFAOYSA-N 288.347 3.842 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1Br 466325034 JCJMTOWEUUBCNR-SNVBAGLBSA-N 297.196 3.925 30 20 CHED C=CCCN(C)C(=O)CCSc1ccc(C)c(C)c1 466628861 QKSFGGZMGCROMN-UHFFFAOYSA-N 277.433 3.820 30 20 CHED C=CCCN(C)C(=O)COc1ccccc1[C@@H](C)CC 466652194 SFRIWKUKISEPEF-AWEZNQCLSA-N 275.392 3.613 30 20 CHED CC(C)C[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1 466739744 QEFZTLCDBHXKPU-ZDUSSCGKSA-N 260.356 3.565 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1c(F)ccc(OCC)c1F 466870545 MXIBORDAHUOIQL-SNVBAGLBSA-N 283.318 3.904 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccccc1CC 467982959 XYGMKSOPGGQSJO-AWEZNQCLSA-N 259.393 3.653 30 20 CHED C=C(C)COc1cccc(NC(=O)C2(SC)CCC2)c1 469295150 GJSRNROAEJHQAI-UHFFFAOYSA-N 291.416 3.866 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCc1ccc(O)c(F)c1 469826416 ZQKBRVCALRPYGO-ZDUSSCGKSA-N 293.382 3.715 30 20 CHED C=CCCCCNC(=O)[C@@H](C)c1ccc(Cl)s1 471708461 FAHNSCFWHLQSMQ-JTQLQIEISA-N 271.813 3.978 30 20 CHED C=CCC[C@H](O)CN1CCC[C@@H](c2ccccc2)CC1 472678928 OMKLBHYNLGCELE-MSOLQXFVSA-N 273.420 3.583 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 474287605 HTDLGAVXMPZBKA-GDBMZVCRSA-N 270.376 3.908 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 476055591 YEEYBJVFRSWBIL-QSJFSLAZSA-N 276.424 3.791 30 20 CHED C=C(C)CN(CC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C 485788144 FGSIXOOFOPESPC-ZDUSSCGKSA-N 262.353 3.862 30 20 CHED CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C#N)s1 487592539 VOQMSOYHHQJLED-CQSZACIVSA-N 299.399 3.628 30 20 CHED C=CCCC(=O)Nc1cnn(CCC(C)C)c1C(C)C 490484940 MCKQMRSFUKTPFV-UHFFFAOYSA-N 277.412 3.957 30 20 CHED Cc1cccc(C2(NC(=O)NCC(C)(C)C#N)CCCC2)c1 494613393 FBRUXAQUWSOZJI-UHFFFAOYSA-N 299.418 3.613 30 20 CHED C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H]2CCCC[C@@H]12 499625361 KXLHLPIZDDGEKX-IKGGRYGDSA-N 290.451 3.597 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccco1 507192752 MLRQJJVYYOZUAN-UHFFFAOYSA-N 268.360 3.809 30 20 CHED C=CCOCCCN1C[C@@H](C)C[C@@H]1c1ccccc1 513268768 YYDCICKHWMILJH-DOTOQJQBSA-N 259.393 3.662 30 20 CHED CC[C@@H](C)[C@H](C)N(Cc1ccc(C#N)cc1)C1CC1 513454150 CTGNGIJTWKFTFH-KGLIPLIRSA-N 256.393 3.957 30 20 CHED CCC(CC)(CNC(=O)[C@@](C)(C#N)CC)c1ccccc1 513627913 AZVQFGWWANNVGT-QGZVFWFLSA-N 286.419 3.800 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(F)cc2)CCCC1 515770486 VCEVZHYTYPERGI-UHFFFAOYSA-N 261.340 3.925 30 20 CHED C=C1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1 520494006 YBEAQUKOACZVRI-ZDUSSCGKSA-N 293.794 3.594 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCCCCC 522755272 CZMMGZAJABENPL-ZDUSSCGKSA-N 257.443 3.723 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 527861716 YXVUDFYXRHDQQZ-MORSLUCNSA-N 296.414 3.589 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(C(C)(C)C)c1O 529062085 DHCHBSZMDJOLGF-UHFFFAOYSA-N 288.391 3.958 30 20 CHED CC#CCN1CCCC[C@H]1c1cc2ccccc2[nH]1 532712398 KYGCPOZNMWSTLW-KRWDZBQOSA-N 252.361 3.718 30 20 CHED CC(C)CCC1CCN(c2cnccc2C#N)CC1 535789027 AMBDNEQDQVMAIH-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(C)cc1 538265313 NIFXGYIQUVOKHS-UHFFFAOYSA-N 261.365 3.697 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](Cc1ccccc1)C1CC1 541220043 HUAOSHJWJUEBKE-SJORKVTESA-N 286.419 3.662 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 542528932 ZXJWRLXDQPAABW-IINYFYTJSA-N 276.767 3.520 30 20 CHED COC(=O)[C@H](CC(C)(C)C)Sc1ccc(C#N)cc1 542931371 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3.729 30 20 CHED CC[C@H](Nc1cc(C#N)ncn1)C(C)(C)c1ccccc1 574627731 FAPNNMAEVYIMJP-HNNXBMFYSA-N 280.375 3.517 30 20 CHED CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C 576389849 GPUOMQPLUGHYBG-CVEARBPZSA-N 256.393 3.960 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Cc1cccc(C2CC2)c1 578844333 HCWSEOUGUHNYEY-UHFFFAOYSA-N 290.366 3.925 30 20 CHED CCCOC1(CNCc2ccc(C#N)s2)CCCCC1 580621122 BLVWEBVBPAUPKZ-UHFFFAOYSA-N 292.448 3.839 30 20 CHED CCc1cc(NC(=O)c2ccc(F)c(C#N)c2)ccc1F 586874561 PHFRQYAMRWJDJA-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 589578641 XYDBRZSVZJYHGI-SJORKVTESA-N 293.326 3.609 30 20 CHED N#Cc1ccc(N2CCCC3(CCCC3)C2)cc1[N+](=O)[O-] 589595471 CMENVLDMCDDBTB-UHFFFAOYSA-N 285.347 3.627 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1 590859752 VXNAEPCFMNAYBT-JKSUJKDBSA-N 297.402 3.909 30 20 CHED CC[C@H](CNC(=O)CCCCCC#N)CC(F)(F)F 591095834 BYCUQSZIJWDVCU-NSHDSACASA-N 278.318 3.555 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 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C[C@H](CC1(C#N)CCOCC1)N[C@H]1C[C@H]1C1CCCCC1 602589381 REURKWGMHWHDNI-PVAVHDDUSA-N 290.451 3.644 30 20 CHED CCN(Cc1c[nH]c2ccccc12)C[C@@H](C)CCC#N 602625024 CPCGEKMXJMGQCR-AWEZNQCLSA-N 269.392 3.930 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CCCC(C)(C)C1 602679858 AVPUFRJUVGUNOY-JKSUJKDBSA-N 292.467 3.891 30 20 CHED COc1ccc(C#N)cc1CN(C1CCCCC1)C1CC1 610952838 HOQVBXRTPBQTKN-UHFFFAOYSA-N 284.403 3.864 30 20 CHED CN(C(=O)C[C@H]1CCc2ccccc21)c1ccccc1C#N 611072489 LMDHOCKFLDTZHR-OAHLLOKOSA-N 290.366 3.641 30 20 CHED N#Cc1ccc(N2CCC[C@H]2/C=C\c2ccccc2)nc1 611541391 CSPGYAOIGQLIPE-PXAMLJHWSA-N 275.355 3.635 30 20 CHED N#CCCCCNC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 611544013 IZPZNGKFMYWTKH-WFTPILKQSA-N 297.402 3.568 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1CCC(C)(C)C#N 611553996 AOTVFDKQSOBGAX-QWRGUYRKSA-N 262.319 3.589 30 20 CHED CC(C)(C)c1ccc(CC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612233948 WSBVLPCKGAPHGX-IBGZPJMESA-N 298.430 3.679 30 20 CHED C=CCC[C@H](NC(=O)c1ccnn1CCC)c1ccccc1 612709610 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N#CCOc1ccc(C=NNc2ccccc2Cl)cc1 744563610 VPKUUMDZIVDEFA-UHFFFAOYSA-N 285.734 3.688 30 20 CHED CCCn1cccc1C=NNc1cc([N+](=O)[O-])ccc1C 747060143 JTNKZIUNZHZXHV-UHFFFAOYSA-N 286.335 3.561 30 20 CHED C[C@@H](OC(=O)CCC(C)(C)C)c1ccc(C#N)cc1 748686373 WQWRBWYUFMZKKI-GFCCVEGCSA-N 259.349 3.989 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)/C=C/c1ccccc1C#N 748764808 NMJRMCVBPPWRBH-OAGJVSPASA-N 282.387 3.609 30 20 CHED CCN(CCC#N)C(=O)/C=C(\C)c1cccc(Cl)c1 750299543 PGTDMPAWKSIRRY-ZRDIBKRKSA-N 276.767 3.505 30 20 CHED C=CCCOCCN[C@@H](C)c1cc(C)c(OC)cc1C 753689409 LUJFBBLKESXVMT-HNNXBMFYSA-N 277.408 3.555 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 753995918 RQMRTBPBIWVUDG-SEUFLYEGSA-N 299.345 3.871 30 20 CHED C=CCc1cc(CN(C)C[C@@H](C)CC)c(O)c(OC)c1 754726583 SRBGGAWWNCFKEY-ZDUSSCGKSA-N 277.408 3.607 30 20 CHED CC[C@H](CC(=O)OCc1ccnc(C#N)c1)c1ccccc1 754727188 FOCSIPAKYXCSFK-OAHLLOKOSA-N 294.354 3.580 30 20 CHED C(=NNCCCc1ccccc1)[C@H]1CCc2ccccc21 755696091 JKMOWOZVRXUTIV-GOSISDBHSA-N 278.399 3.925 30 20 CHED Nc1c(Cl)cc(C(=O)/C=C/c2cccnc2)cc1Cl 756264502 DWOGZVRNBZWINV-ONEGZZNKSA-N 293.153 3.867 30 20 CHED C#CCCCOC(=O)c1cncc(-c2ccc(Cl)cc2)c1 757883011 GJMQXGJKLYHORS-UHFFFAOYSA-N 299.757 3.972 30 20 CHED C#CCCCCNCc1cc2cc(C)c(C)cc2o1 758497235 MWRYNNXBUIMPPA-UHFFFAOYSA-N 255.361 3.943 30 20 CHED N#Cc1ccc(OCCCSc2cccc(C#N)c2)cc1 759054658 CPRQSHIWLPYTSH-UHFFFAOYSA-N 294.379 3.991 30 20 CHED COc1ccc(O)c(C=Nc2ccc3c(c2)CC(C)(C)O3)c1 759115474 BTBWNTFARSOQSO-UHFFFAOYSA-N 297.354 3.865 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)CC(CC)CC 759218175 FNOUFDUCLNJBFE-UHFFFAOYSA-N 277.339 3.603 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(F)c(F)c1)C2=O 759665693 QGSQBRLZROSHNO-YRNVUSSQSA-N 286.277 3.796 30 20 CHED Cc1ccc(NN=Cc2cnc(Cl)c(C)c2)cc1 760214922 BRVKYBZGJNIWBF-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C#CCCOc1ccc(CN[C@@H](CC)CC(F)(F)F)cc1 760662608 VHPVKKXJZBRIQT-AWEZNQCLSA-N 299.336 3.909 30 20 CHED O=C(/C=C\c1cc(Cl)c2c(c1)OCO2)c1ccco1 762304342 ITXKTRHPUCBAIJ-ARJAWSKDSA-N 276.675 3.558 30 20 CHED C(=NNc1nc(-c2ccccc2)no1)[C@H]1C[C@H]2CC[C@H]1C2 762428241 XXQGEPNIZDBQBW-FPMFFAJLSA-N 282.347 3.571 30 20 CHED C=CCCCOC(=O)c1cc(Cl)cc(Cl)n1 762947832 KTVXJJDYHNRAKJ-UHFFFAOYSA-N 260.120 3.511 30 20 CHED C#CCN(C(=O)c1cc(C(C)C)cc(C(C)C)c1O)C1CC1 764447877 ZUFCWLIUQHVMAC-UHFFFAOYSA-N 299.414 3.877 30 20 CHED COc1ccsc1C=NNc1cc(F)c(F)c(F)c1 764700141 VJDBFORLXZSWHG-UHFFFAOYSA-N 286.278 3.620 30 20 CHED C(C[C@H]1CCOC1)=NN=C1c2ccccc2-c2ccccc21 765562603 GJHLFLLAJLKABS-AWEZNQCLSA-N 290.366 3.917 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1nccnc1Cl 766701103 VZXMXKQENYGICB-JTQLQIEISA-N 286.766 3.762 30 20 CHED C#C[C@H](C)N(C)C(=O)/C=C(\CC)c1cccc(Cl)c1 767263378 LBVDPJLWTOYSEM-OWRWYXLESA-N 275.779 3.614 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc(F)cc2Cl)c1 767742802 FARDBLJPYDFQCC-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cccnc1Cl 768392840 NLXYTTHVLWVJHF-UHFFFAOYSA-N 280.755 3.612 30 20 CHED C=C(Cl)CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 768542132 KNPBAXRTFKOMJY-GFCCVEGCSA-N 296.867 3.954 30 20 CHED Cc1ccc(C2=CCN(c3cnccc3C#N)CC2)cc1 769834696 DHVIBNDBTSAHSX-UHFFFAOYSA-N 275.355 3.555 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cccc(OCCC(C)C)c1 770280017 YYGVXQQUHMBZIW-AWEZNQCLSA-N 288.391 3.597 30 20 CHED COc1cc(/C=C\C(=O)c2cccs2)ccc1[N+](=O)[O-] 770569178 OETNQMIHVKWARG-ALCCZGGFSA-N 289.312 3.561 30 20 CHED CCCC(=CC(=O)N(CCC#N)CC1CC1)CCC 770735686 BUPJFSUUKYTXNX-UHFFFAOYSA-N 262.397 3.665 30 20 CHED CCCCNN=C(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C 771877036 IJBMLJAPLWYLJT-AWEZNQCLSA-N 297.443 3.542 30 20 CHED CC(C)c1nccnc1NN=Cc1ccccc1Cl 773092155 ZQZOBUZGXZJVIF-UHFFFAOYSA-N 274.755 3.699 30 20 CHED O=C1/C(=C/c2ccc(O)c(Cl)c2)Oc2cc(F)ccc21 773171252 IVXZJVLUACMYLW-NSIKDUERSA-N 290.677 3.801 30 20 CHED CCOCCON=C(C)c1cc2cc(Cl)ccc2o1 774417842 RDVFACRWPORJAD-UHFFFAOYSA-N 281.739 3.863 30 20 CHED N#Cc1cc(F)ccc1COC(=O)C1=CCCCCC1 775054819 NBAAPCOHXWHLGR-UHFFFAOYSA-N 273.307 3.631 30 20 CHED C#CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 776169570 HCFRDZYWZRRWTL-DNVCBOLYSA-N 274.367 3.973 30 20 CHED C/C=C(/C=C\C(=O)O[C@@H](C#N)C1CCCCC1)CC 776395474 KUTPYQZIBNOOQL-GQBFUTNTSA-N 261.365 3.915 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)c1 776729971 YCCOOMGQSNLXLL-YVMONPNESA-N 281.286 3.602 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(F)cc1C 777459624 KGDOBPATFIMBFQ-UHFFFAOYSA-N 263.234 3.827 30 20 CHED FC(F)(F)CCON=C1C2CC3CC(C2)CC1C3 777462553 DNFIPJNOPDBZGB-UHFFFAOYSA-N 261.287 3.768 30 20 CHED C#CCOc1ccc(CNc2cnc(Cl)c(C)c2)cc1 777519939 UABQKXFMQNFZIH-UHFFFAOYSA-N 286.762 3.668 30 20 CHED C#CCN(C(=O)C[C@@H]1C=CCCC1)C1CCCCC1 777602031 DVSQQSYDQDBKIH-OAHLLOKOSA-N 259.393 3.527 30 20 CHED CC(C)CN(CCC#N)CCCc1cccc(F)c1 778947342 VHIFIRGWAARASO-UHFFFAOYSA-N 262.372 3.630 30 20 CHED C#CCCCCCC(=O)Nc1ccc2ccccc2n1 779743745 TXMOHAOZHFNUKB-UHFFFAOYSA-N 266.344 3.757 30 20 CHED CC[C@@H](C#N)OC(=O)COc1ccc(-c2ccccc2)cc1 780424284 XKZKJFLYNXZWLN-INIZCTEOSA-N 295.338 3.578 30 20 CHED C[C@@H](CCC1CCCCC1)NCc1ccc(C#N)cn1 783300505 NXEDXHRFLDDTFX-AWEZNQCLSA-N 271.408 3.792 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](F)C(C)C 784047369 HGOTWSCSKADWGC-MRXNPFEDSA-N 290.382 3.537 30 20 CHED CN(C1CCCC1)C(C)(C)C(=O)OCCCC(C)(C)C#N 784543419 CMSMVLGQIHOWSJ-UHFFFAOYSA-N 294.439 3.513 30 20 CHED C[C@@H](OC(=O)c1cc2occc2[nH]1)c1cccc(C#N)c1 786032843 WVAVLFJCHKZDHD-SNVBAGLBSA-N 280.283 3.551 30 20 CHED CC(=NNC1CCCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 786043048 GANBCUBOTAIBEN-UHFFFAOYSA-N 299.418 3.563 30 20 CHED C/C(C=NOCC(C)C)=C/c1cccc([N+](=O)[O-])c1 787162287 JBFOHLOYQFVJKO-GGBZCQFWSA-N 262.309 3.657 30 20 CHED CCc1cccc(Cl)c1C=NNC1CCCC1 788714941 OSRDMPHPAMOXLG-UHFFFAOYSA-N 250.773 3.769 30 20 CHED C#CCn1ccc(CN(CC)C[C@H](CC)CCCC)n1 789330182 ZFGVOLIHRBJXBG-MRXNPFEDSA-N 275.440 3.555 30 20 CHED CC[C@H](C)CC(=O)OCc1ccccc1C(C)(C)C#N 791500478 VNWKBEJXMFIWRJ-ZDUSSCGKSA-N 273.376 3.967 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 791569619 WMUOVQKCLHTUNK-LJQANCHMSA-N 299.389 3.937 30 20 CHED C=CCOc1ccccc1C(=O)OCCCCCF 791681537 JLIFCJRDMBFNCZ-UHFFFAOYSA-N 266.312 3.548 30 20 CHED CC(C)c1ccoc1C(=O)OCc1ccc(F)c(C#N)c1 792618290 PELKNHYFPCOZNB-UHFFFAOYSA-N 287.290 3.771 30 20 CHED CC(C)(C#N)CCCN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 792910713 VUCHSFGUXBQJLA-YPMHNXCESA-N 289.250 3.832 30 20 CHED Fc1cccnc1NN=Cc1cc2ccccc2s1 794981163 VZDBVCYNKYAOSR-UHFFFAOYSA-N 271.320 3.881 30 20 CHED N#Cc1ccc(OC(=O)C(C2CCC2)C2CCC2)cc1 796762781 KACQXQHSBUKLOW-UHFFFAOYSA-N 269.344 3.680 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNCCC(=O)OC(C)(C)C 797403153 BSRBUGMZFGEWJW-STQMWFEESA-N 282.428 3.510 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C/C=C\c1ccco1 797404387 MZJNCFCPFMRFGG-XIQKRRGTSA-N 290.754 3.958 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC)CCCCC 798041123 XVOFBGYGDAGTCT-JYJNAYRXSA-N 281.440 3.690 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](F)CC1CCCCC1 798550587 BUUSMNLQJPDNET-KBPBESRZSA-N 255.377 3.766 30 20 CHED Cc1ccc(C(=O)N(Cc2ccco2)C(C)C)cc1C#N 799303499 HPHZDJGBJCNKSV-UHFFFAOYSA-N 282.343 3.511 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1C#N 799305261 DARCZHJVLDGUHG-MLGOLLRUSA-N 270.376 3.517 30 20 CHED CSCc1ccccc1NC(=O)c1ccc(C)c(C#N)c1 799365849 PJOLUMZENVREKA-UHFFFAOYSA-N 296.395 3.982 30 20 CHED Fc1c(Cl)cccc1NN=C1CCC12CCOCC2 799877290 UQRQVRFYIYHAAH-UHFFFAOYSA-N 282.746 3.838 30 20 CHED C[C@H](OC(=O)[C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 800276480 AYMPAYQUUNZJRR-SMDDNHRTSA-N 293.313 3.988 30 20 CHED C=CCn1c(C)nnc1N1CCC(C2CCCCC2)CC1 800770970 BMKRMRIKPCOTBT-UHFFFAOYSA-N 288.439 3.569 30 20 CHED Cn1cnc(/C=C2/CCCc3ccc(Cl)cc3C2=O)c1 800793653 NQVKWVHTUZHBJT-GHXNOFRVSA-N 286.762 3.676 30 20 CHED N#Cc1sc(NCCCc2ccccc2F)nc1Cl 804681259 GYHOKONJFXFLDI-UHFFFAOYSA-N 295.770 3.852 30 20 CHED C=C(C)COC(=O)c1ccc(-c2cccs2)nc1C 805695390 TWVUKSUQVUPVLT-UHFFFAOYSA-N 273.357 3.851 30 20 CHED C[C@@H]1CC[C@H](C=NNc2nccnc2C2CCC2)C1 807991574 OQXQCROLXABMRK-NEPJUHHUSA-N 258.369 3.578 30 20 CHED Cc1cc(OC(=O)[C@@H]2CC23CCC3)c(C)c(C)c1C#N 809036398 WSDIWIQYUSAFSA-AWEZNQCLSA-N 269.344 3.579 30 20 CHED O=C1/C(=C/c2cnccn2)CCCc2ccc(Cl)cc21 809153852 HBHOCFJESHKTLV-XYOKQWHBSA-N 284.746 3.733 30 20 CHED C=C(C)CCNc1ccc(/C=C\C(=O)OCC)cc1 809187857 QVAZBZXFPCHCIF-YFHOEESVSA-N 259.349 3.641 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 809287577 FQBYPSZEJFDVAX-KGLIPLIRSA-N 263.425 3.709 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H]2C[C@@]2(C)C(C)C)n1 809395626 OHNZGMOJYFKHCK-KSSFIOAISA-N 296.370 3.898 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1F 809698709 FRZDPSIKBZVDLJ-KFNAQCHYSA-N 290.769 3.825 30 20 CHED C#C[C@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C 809781213 JKFIYEZTALQAOD-BBRMVZONSA-N 288.391 3.553 30 20 CHED C=CCCCCOC(=O)c1cccc(Oc2cnccn2)c1 811011194 OMBPAIXBMKMHGQ-UHFFFAOYSA-N 298.342 3.782 30 20 CHED CC(=NOC/C=C\Cl)c1c(C)cc(C)cc1O 811670564 VNXWOGUIZJQYNR-VARHAHGJSA-N 253.729 3.502 30 20 CHED CC(=NOC/C=C/Cl)c1ccccc1Br 811672022 OGMLCTPVJBCGSJ-AKROGEHCSA-N 288.572 3.942 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(F)c1C#N)C2 811691379 LXYXJXVTWYXERJ-RIYZIHGNSA-N 277.298 3.828 30 20 CHED C#CCN(C)C(=O)N[C@@H](CCCCC)c1ccccc1 812025718 CHRKURCGRNBITB-INIZCTEOSA-N 272.392 3.583 30 20 CHED COc1cccc(O)c1C=NNc1cccc(Cl)c1 812486992 PFIZSOBMNYCWOB-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C=CCCCCCCCNC(=O)N1CC=C(COC)CC1 812494144 HBRJSCCIQHYXEO-UHFFFAOYSA-N 294.439 3.501 30 20 CHED CC/C=C(\C)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813221500 TUNLUZGZHQHFSG-VCFDLTMXSA-N 282.265 3.633 30 20 CHED COCCC1(C=NOCCC2CC2)CCCCC1 814245932 OHJMEYOQLNUEBY-UHFFFAOYSA-N 253.386 3.776 30 20 CHED CC(=NNc1ccc(F)cc1F)c1csc(C(=O)O)c1 814686481 IRWBVDZOAJOZKN-UHFFFAOYSA-N 296.298 3.561 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@@H]1C1CCC1 814916536 IIEQDZTVCZKZHM-GFCCVEGCSA-N 258.369 3.578 30 20 CHED OC[C@@H](NN=Cc1ccc(C2CCC2)cc1)c1ccccc1 814919866 SEEXUPFIWRFNAN-LJQANCHMSA-N 294.398 3.611 30 20 CHED C[C@H]1CCC(=NN[C@H](C)CCc2ccc3c(c2)OCO3)C1 814923977 DHHCFZFFKBIOTB-QWHCGFSZSA-N 288.391 3.502 30 20 CHED COc1ccc2c(c1)C(=NOC1CCC1)CCCS2 814936146 AWMOARVADSEPPH-UHFFFAOYSA-N 277.389 3.854 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](c1ccccc1C)C1CC1 815579159 GDBDAUHGSATYKB-AWEZNQCLSA-N 279.330 3.774 30 20 CHED Cc1ccc([C@@H](C)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)o1 819736979 RPBXZOSCGNQWIP-KGLIPLIRSA-N 296.370 3.783 30 20 CHED N#CC1(CCCN(c2ccccc2)C2CC2)CCOCC1 832161132 XNLFTFUERNMHPS-UHFFFAOYSA-N 284.403 3.756 30 20 CHED CC1(C#N)CCC(=NNc2ncccc2C(F)(F)F)CC1 834941450 PSQQBBKRKMKYPP-UHFFFAOYSA-N 296.296 3.972 30 20 CHED COc1cc(C=NO[C@@H]2CCCCO2)cc2ccccc12 834966343 GJHSHRBBNIEBBM-QGZVFWFLSA-N 285.343 3.726 30 20 CHED CC(C)CO[C@@H]1CC(=NNc2ncc(F)cc2F)C1(C)C 835022365 ICKUFTMCKRBDDG-CYBMUJFWSA-N 297.349 3.599 30 20 CHED CCc1c(C(=O)OCC2(CC#N)CC2)oc2ccccc12 835187715 LYADJEVUPOXULE-UHFFFAOYSA-N 283.327 3.846 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1coc2c1C(=O)CCC2 835267865 DQOGUTBCNYLTFR-LLVKDONJSA-N 276.332 3.700 30 20 CHED N#Cc1c(F)cccc1C(=O)OC[C@@H]1CCCCC1(F)F 835643087 QLAMBBISSYKRQI-JTQLQIEISA-N 297.276 3.680 30 20 CHED C=CC(C)(C)COC(=O)C[C@H](CC#N)c1ccccc1 835722828 XJLJGMUZAJDVRT-HNNXBMFYSA-N 271.360 3.829 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cnc2ccc(C)cc2c1 836110010 YBAHSSWZWDHBIO-KRWDZBQOSA-N 282.343 3.526 30 20 CHED CCCCCCCCCNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2 836317938 KFJJJMJZXASCMA-BZUAXINKSA-N 281.440 3.811 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)C#CC(C)(C)C)CCC2 837655218 CFDQWFSNBPOYPV-INIZCTEOSA-N 269.388 3.538 30 20 CHED C#CCC[C@@H](C)OC(=O)c1csc(Cc2ccccc2)n1 839035052 DGXUHSOGTBFRTC-CYBMUJFWSA-N 299.395 3.693 30 20 CHED CC[C@@H]1CC[C@H](C(=O)Nc2cc3ccccc3cc2C#N)O1 839435404 MJMVJNXSQNLQGP-NVXWUHKLSA-N 294.354 3.608 30 20 CHED N#CC1(CCOC(=O)Cc2cccs2)CCCCC1 840007577 ODJVUEUHIHVJLP-UHFFFAOYSA-N 277.389 3.698 30 20 CHED Cc1cc(C(=O)OCCC2(C#N)CCCCC2)co1 840473319 NHGQGMDMAYZGIV-UHFFFAOYSA-N 261.321 3.609 30 20 CHED CCCCCCCCC(=O)NCC1(C#N)CCC1 841469358 ZDAUKYYQNOOQHE-UHFFFAOYSA-N 250.386 3.547 30 20 CHED C#C[C@H](OC(=O)[C@@H](CC)OCC)c1ccc(Cl)cc1F 842353511 NKOXYUFOJLVZTL-UONOGXRCSA-N 298.741 3.512 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1CCC(=O)C1 843772187 VHOBCFNHBQCUGC-AWEZNQCLSA-N 267.413 3.565 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](CC)c1cccc(Cl)c1 844284265 CURYASHHKPYNNL-GXFFZTMASA-N 282.771 3.596 30 20 CHED C=C(C)CON=C(C)c1ccccc1OC(F)F 844615236 PCMIFHAYYHWYIZ-UHFFFAOYSA-N 255.264 3.605 30 20 CHED C=C[C@@H](C)ON=C(C)c1ccccc1OC(F)F 844622217 ADZINKZJRXQYFH-SECBINFHSA-N 255.264 3.603 30 20 CHED CCCO[C@H]1CCCN(c2ccc(C#N)cc2C)CC1 846750188 OCCQZLUMEPLJQO-INIZCTEOSA-N 272.392 3.652 30 20 CHED CCCn1nccc1/C=C1/CCc2c(OC)cccc2C1=O 853008523 SNVUYBWSOVYDNT-SEYXRHQNSA-N 296.370 3.514 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2ccc(C)c(F)c2)[C@@H]1C 853438703 KOVAWXOIOXOONP-VXGBXAGGSA-N 292.354 3.511 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCc2ccc(Cl)nc21 857913364 URUUYDXGRQGBGP-LBPRGKRZSA-N 277.799 3.642 30 20 CHED CCCCCCCNC(=O)N(C)[C@@H](C)c1ccco1 858111571 LEJJXZRONYBQSA-ZDUSSCGKSA-N 266.385 3.952 30 20 CHED C=CCC[C@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)C1CC1 860622006 UJGAJYXKMAZJSH-MCIONIFRSA-N 260.333 3.671 30 20 CHED Cc1cccc(-c2cccc([C@H]3CCNC3)c2)c1C#N 863690220 NDSHTPIRAFDEGI-INIZCTEOSA-N 262.356 3.611 30 20 CHED CCOC(CSc1ccc(Cl)cc1C#N)OCC 871657189 QPYLQOPEALFCPD-UHFFFAOYSA-N 285.796 3.703 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2nccn2C)c1 878313684 DKWYSHZMFVPYPV-UHFFFAOYSA-N 283.375 3.628 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](c2ccccc2C)C1 878595673 JWJSEQLSSJPNIP-OAHLLOKOSA-N 271.404 3.913 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 879028777 LLXFDBFWOYMXQC-DLBZAZTESA-N 296.414 3.887 30 20 CHED C=CCCC[C@@H](N[C@H]1CC[C@H](O)CC1)c1ccccc1 883207934 VVIPPEVLFANFEK-KZNAEPCWSA-N 273.420 3.977 30 20 CHED C[C@]12CN(C(=O)CC3(C#N)CCCCC3)C[C@H]1[C@H]1C=C[C@@H]2C1 887871808 VFWPWGGKYFKTNB-UIBIWLFHSA-N 298.430 3.521 30 20 CHED CCCCCNC(=O)N1CCC(c2ccc(C#N)cc2)CC1 891409331 HGSITXGVQPWZFZ-UHFFFAOYSA-N 299.418 3.637 30 20 CHED C[C@H](C#N)CNCc1cccc(COc2ccccc2)c1 893544159 JUTVSDXWRVMBON-OAHLLOKOSA-N 280.371 3.515 30 20 CHED C=C1CCC(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)CC1 895842466 FDNYGZWIUIRCGU-QGZVFWFLSA-N 285.387 3.802 30 20 CHED N#Cc1ccnc(NCCC2CCC(F)(F)CC2)c1 897248665 WGOLQLWOXCRWFA-UHFFFAOYSA-N 265.307 3.581 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N(O)Cc2ccc(F)cc2)C1(C)C 900096222 WGNRDZIAGSNZMM-GJZGRUSLSA-N 291.366 3.782 30 20 CHED CCCc1ccc(C(=O)N(O)Cc2ccc(F)cc2)s1 901372220 VAGKUVNFWIKNND-UHFFFAOYSA-N 293.363 3.871 30 20 CHED CCn1cncc1/C=C1/C(=O)c2cccc(C)c2[C@H]1C 901489034 LXEQIGIVMTZTAH-AAWHYMEISA-N 266.344 3.595 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 905190380 PMUXRPQZROGDIP-SNVBAGLBSA-N 280.299 3.583 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCc1cccc(F)c1 912780644 BMCJRIFLLMTBMB-UDWIEESQSA-N 294.329 3.741 30 20 CHED CCCCCC1=C(C)CCC1=NNc1nccc(OC)n1 914695919 JXBCBFBMJQRYLP-UHFFFAOYSA-N 288.395 3.944 30 20 CHED CC(=NNC(=S)NC1CCCCC1)C1CCCCC1 915927839 ADENKPPWQKWVTO-UHFFFAOYSA-N 281.469 3.739 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ccc(C#N)cc2)o1 915961281 DDPZYTTZNXEINI-XHDPSFHLSA-N 265.316 3.721 30 20 CHED Cn1cccc1C=NNc1ccnc2cc(Cl)ccc12 916269461 QBLALTLVFBESAZ-UHFFFAOYSA-N 284.750 3.673 30 20 CHED C=CCN(C(=O)Nc1ccc2nc(C)oc2c1)C(C)C 916706386 AAQZJRDWILWZSH-UHFFFAOYSA-N 273.336 3.565 30 20 CHED C=C(C)CNC(=S)N(CCC)Cc1ccc(C)cc1 917048419 KMIKDYKNDWSCFN-UHFFFAOYSA-N 276.449 3.658 30 20 CHED C=CCN(Cc1cc(Cl)ccc1OC)C(C)C 917071583 WVEGDJRYQYARSA-UHFFFAOYSA-N 253.773 3.745 30 20 CHED COc1cccc([C@H](C)Nc2snc(Cl)c2C#N)c1 917091081 IINRZRTYHSLNFS-QMMMGPOBSA-N 293.779 3.850 30 20 CHED COc1cccc(/C=N\Cc2ccccc2OC(C)C)c1O 917557881 GYMMIWJLBIKKSZ-UNOMPAQXSA-N 299.370 3.807 30 20 CHED C=C(C)CNC(=S)N(C)[C@H](C)c1ccc(C)cc1C 918164005 TWDXVLWLVDJHHU-CQSZACIVSA-N 276.449 3.747 30 20 CHED CCCCCCCCOC(=O)Cc1csc(C)n1 918494284 PTQZCRKEOXBWFP-UHFFFAOYSA-N 269.410 3.898 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccc(N(C)C)cc2)n1 920240508 QOVQWEMKIIYCBY-UHFFFAOYSA-N 297.427 3.928 30 20 CHED C=C(Br)COC(=O)C[C@@H]1CCCC[C@H]1C 920724960 JBXOKGITYJPZKZ-KOLCDFICSA-N 275.186 3.655 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)OCCC(C)(C)C#N 924249265 FXNAWBFTKQDEPW-NSHDSACASA-N 295.379 3.789 30 20 CHED C[C@H](N[C@@H](C)C1(Br)CC1)c1cccc(C#N)c1 925186128 TXGCPNCWTOWEGU-QWRGUYRKSA-N 293.208 3.525 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1COc2ccc(Cl)cc21 925532508 SMFDDWVTADPAII-ZWNOBZJWSA-N 278.783 3.691 30 20 CHED N#C[C@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1 928227666 IWNFHDRYBXVUCV-CYBMUJFWSA-N 296.395 3.791 30 20 CHED C[C@H](CCC#N)N1CC=C(c2c[nH]c3ccccc23)CC1 933820378 VCIDVLMBOILXRS-CQSZACIVSA-N 279.387 3.949 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(Cl)c(O)cc1F 935973318 SPQBQKOOMXQGTN-MRVPVSSYSA-N 271.719 3.726 30 20 CHED N#Cc1ccccc1COC(=O)CC[C@@H]1CC1(Cl)Cl 1118473102 JMIQHRDRNLQCOG-GFCCVEGCSA-N 298.169 3.575 30 20 CHED C[C@@H](OC(=O)c1csc(C#N)c1)c1ccccc1F 1127678181 AUAHVQXVVHKXPK-SECBINFHSA-N 275.304 3.677 30 20 CHED N#Cc1ccc2c(c1)N(CCCc1ccsc1)CC2 1168925432 OYBXJTSFRZNITH-UHFFFAOYSA-N 268.385 3.615 30 20 CHED COc1cccc2c1CC[C@@H](Nc1cc(F)cc(C#N)c1)C2 1183324428 MUSQXCGBTQZTSY-OAHLLOKOSA-N 296.345 3.675 30 20 CHED N#Cc1cccc(NC(=O)CCCC2CCCCC2)n1 1184222195 IEBCTWPRAFCXAP-UHFFFAOYSA-N 271.364 3.642 30 20 CHED CC(=NOC(C)(C)C)c1ccc(-n2ccnc2C)cc1 1253788613 GNQLOHFLFWDKTF-UHFFFAOYSA-N 271.364 3.720 30 20 CHED CC[C@H](C)c1ccc(C(=O)[C@H](C#N)c2nccn2CC)cc1 1263617013 QGPKWBZYRXFBHP-BBRMVZONSA-N 295.386 3.907 30 20 CHED C[C@H]1CCCC(=NNc2ccc(C(C)(C)C)nn2)C1 1318580499 MJRBQMQXSZWOKO-NSHDSACASA-N 260.385 3.752 30 20 CHED N#C[C@H]1CCC[C@@H](NCCCCOc2ccccc2)C1 1321277274 OLIXQYYFIUBKFU-JKSUJKDBSA-N 272.392 3.518 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)c1cnn(C)c1C 1322314338 CSQPYWAZGFSATO-KGLIPLIRSA-N 263.429 3.904 30 20 CHED Cc1ccc(NN=Cc2ccc3c(c2)ncn3C)cc1Cl 1324528856 RNIMTWITJDOFEU-UHFFFAOYSA-N 298.777 3.981 30 20 CHED COc1ccccc1-c1nnc(CC2(C#N)CCCCC2)o1 1326986352 QLMAIVDDFJXFMH-UHFFFAOYSA-N 297.358 3.762 30 20 CHED C=CCN(C(=O)Nc1ccn(C2CCCCC2)n1)C(C)C 1339237357 QXNXOBILXOONNI-UHFFFAOYSA-N 290.411 3.817 30 20 CHED C[C@@H](Nc1cccc(CC#N)n1)c1cc(F)ccc1N(C)C 1340160151 SGIXQOOOSCWQIF-GFCCVEGCSA-N 298.365 3.526 30 20 CHED CC[C@@H](NC(=O)c1csc(C#N)c1)c1ccccc1 1436806341 CCCHHOFOZOHXIZ-CQSZACIVSA-N 270.357 3.501 30 20 CHED COC(=O)C1(CSc2ccc(C#N)c(C)c2)CCCC1 1459140740 GSVZLSSGSQIOBS-UHFFFAOYSA-N 289.400 3.692 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1occc1C(C)C 1460130679 MTVIGWYAYVOYRZ-UHFFFAOYSA-N 296.326 3.730 30 20 CHED Cc1cc(NC(=O)C[C@@H]2CCCCC2(C)C)ncc1C#N 1461218127 QLYQEOCZVUDSIZ-AWEZNQCLSA-N 285.391 3.807 30 20 CHED C=C(CNC(=O)NCC1CCC(C)CC1)c1ccccc1 1468270545 JZOWXBJGLZSVFT-UHFFFAOYSA-N 286.419 3.825 30 20 CHED C[C@H](CCNC(=O)Nc1cccc(C#N)n1)CC(C)(C)C 1476792154 CYPIQHULDVCSFU-GFCCVEGCSA-N 288.395 3.537 30 20 CHED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Nc1ccc(C2CC2)c(C#N)c1 1477043435 SLZJAVCABUXMRU-PEWLAIEXSA-N 295.386 3.602 30 20 CHED Cc1ccc2sc(C(=O)Nc3cccc(C#N)n3)cc2c1 1530124122 SQHNMOZKCZYRHX-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CC[C@@H](C)C[C@H]1C 1532097092 PVCKNKAIHVGBKV-JHJVBQTASA-N 251.370 3.684 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H](C)c1cccc(C)c1 1536178119 ZOTJTLBTMCVWFR-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1583609255 WDCKKFSNKRZXEN-LBPRGKRZSA-N 298.390 3.754 30 20 CHED Cc1cc(F)cc(C)c1C(=O)N1CCc2cc(C#N)ccc21 1584800469 RETDMILOGBHALB-UHFFFAOYSA-N 294.329 3.517 30 20 CHED C=CCC[C@H](Nc1nc(C)cc(C(=O)O)n1)c1ccccc1 1588779044 RGYMBZMSDWGJAN-AWEZNQCLSA-N 297.358 3.603 30 20 CHED CC(C)(C#N)CCCOc1ccc(C(=O)O)c(Cl)c1 1603230328 SJVWZMFKUGULPR-UHFFFAOYSA-N 281.739 3.747 30 20 CHED Cc1ccccc1CCNc1nc(C#N)c(Cl)s1 1612090436 QLLZZDAZNVXAJL-UHFFFAOYSA-N 277.780 3.631 30 20 CHED N#Cc1ccc(CCn2cnc(-c3ccccc3)c2)cc1 1641418873 SAONKMFVHXXIOH-UHFFFAOYSA-N 273.339 3.664 30 20 CHED C[C@@H]1[C@@H](Nc2c(C#N)cccc2C#N)CCC[C@H]1C 1641982214 ALZZYMVIZPOEIH-XUJVJEKNSA-N 253.349 3.667 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2F)cc1 1645527088 OSEWYSIJNJZAMU-NSHDSACASA-N 284.290 3.716 30 20 CHED CC[C@](C)(CN(Cc1ccc(C#N)cc1)C(C)C)OC 1651760941 NOTAYKNBYADOTN-QGZVFWFLSA-N 274.408 3.584 30 20 CHED C=C(Cl)CN1CCN([C@@H](CC)c2ccccc2)CC1 1652587631 MYSHNPHVSVQTST-INIZCTEOSA-N 278.827 3.508 30 20 CHED Cc1ccc(CC2CCN([C@H](C)CCC#N)CC2)cc1 1652982760 PUZUMDTZIXJLHO-MRXNPFEDSA-N 270.420 3.942 30 20 CHED C=C(Cl)CN(C)c1ccc(C)c(Br)c1 1654245462 KZXGPMKWUCIWOM-UHFFFAOYSA-N 274.589 3.946 30 20 CHED CC[C@@H](CC#N)NC/C=C\c1cc(C)c(C)cc1C 1658141194 WJBKECZJOYAKEB-TUYSUELWSA-N 256.393 3.907 30 20 CHED CC[C@H]1CN(C[C@@H](C)CCC#N)CCN1Cc1ccccc1 1658775145 XTYDKLNYHKCBLW-HKUYNNGSSA-N 299.462 3.523 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NCC(C)(C)C#N 1676378959 VMKGROZRZBEKKY-KFWWJZLASA-N 293.455 3.544 30 20 CHED O=C(O)c1ccccc1NN=C/C=C\c1cccc(F)c1 1776031816 YSPSRBSEGWPGQD-AMQSJSHASA-N 284.290 3.635 30 20 CHED O=C(O)c1ccc(NN=C2CC(c3ccccc3)C2)cc1F 1776075685 XCNIMQKFFYNXPO-UHFFFAOYSA-N 298.317 3.869 30 20 CHED Cc1oc(/C=C/C(=O)c2ccc(Cl)cc2)cc1C(=O)O 1776114880 FFESYNIMZKPAMR-VOTSOKGWSA-N 290.702 3.836 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(CC(=O)O)c2)c(C)c1 1776132745 DNAQAZPTTOJLAZ-VQHVLOKHSA-N 294.350 3.827 30 20 CHED CCCc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 7690079 FYBNPDPPKWBHBK-UHFFFAOYSA-N 264.328 3.763 30 20 CHED CCc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1 10747890 RYUHNZXPQPLAOE-UHFFFAOYSA-N 278.355 3.692 30 20 CHED C=CCn1c(SCc2ccc(F)cc2)nnc1C1CC1 14065393 MMMKSLPJZNCMGR-UHFFFAOYSA-N 289.379 3.773 30 20 CHED C[C@H](C#N)Sc1ncc(-c2ccc(Cl)cc2)o1 14076258 OQFQSINNEZOUEC-MRVPVSSYSA-N 264.737 3.999 30 20 CHED C=CCCC(=O)N1CCC(CCc2ccccc2)CC1 22311782 MGLVYSHDCMZPHX-UHFFFAOYSA-N 271.404 3.824 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2cccc(C#N)c2)cc1 47338089 OKBHFAWDIUAVSS-CYBMUJFWSA-N 279.343 3.749 30 20 CHED Cc1cccc2c1OC/C(=C\c1cccs1)C2=O 48985471 UBERJSKAVFYEBB-DHZHZOJOSA-N 256.326 3.715 30 20 CHED CC[C@H](CC#N)N[C@H](C)c1ccc(OC(F)F)cc1 54183253 LQLRKLNHPVFWJQ-ZYHUDNBSSA-N 268.307 3.631 30 20 CHED CC(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 55428089 UVPGUQOHAAONOZ-UHFFFAOYSA-N 280.327 3.945 30 20 CHED Cc1c(C(C)(C)C)c(CC#N)nc2cc3c(cc12)OCO3 60510995 QLZPTWSICRVMEI-UHFFFAOYSA-N 282.343 3.636 30 20 CHED Cc1ccc(C(=O)N(CCC#N)c2ccc(C)cc2)cc1 60851859 XZDUQIJXWFOAEH-UHFFFAOYSA-N 278.355 3.864 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc2ccc(C)nc12 61875400 MIQCNOLRLZUIAA-UHFFFAOYSA-N 281.359 3.812 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccccc1[N+](=O)[O-])C2=O 66407980 TZLSNTKDWIRJLM-UKTHLTGXSA-N 295.294 3.562 30 20 CHED C=C1CCN(Cc2ncc(-c3cccs3)o2)CC1 67399729 CZCWLMMBAHAATQ-UHFFFAOYSA-N 260.362 3.555 30 20 CHED C=C(Cl)C[S@@](=O)Cc1nc(-c2ccccc2)oc1C 75502342 XAKGPLUFBWJOPX-IBGZPJMESA-N 295.791 3.651 30 20 CHED Cc1nc(SCCCOc2ccc(C#N)cc2)oc1C 77902392 PTRMIFUSQKSIBL-UHFFFAOYSA-N 288.372 3.724 30 20 CHED CC1(C)CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 78835629 ZYOVMGYGIXFIKE-UHFFFAOYSA-N 283.297 3.598 30 20 CHED CCOC(=O)c1ccc(/C=C2\Cc3ccc(C)cc3C2=O)o1 83536124 QDXQFNBKNKAKDG-JLHYYAGUSA-N 296.322 3.587 30 20 CHED C=C[C@@H](CC(=O)Nc1ccnn1C(C)(C)C)c1ccccc1 89615075 CGJSXUKDVHNYDG-AWEZNQCLSA-N 297.402 3.937 30 20 CHED CCCCCC[C@H](C)CC(=O)N(C)[C@H](C)CC#N 103441195 ZLMCYNZHWXIONJ-UONOGXRCSA-N 252.402 3.744 30 20 CHED N/C(=N/OCc1ccc(Cl)cc1)c1cccc(Cl)c1 105032998 PRYHWWKYUIYRPE-UHFFFAOYSA-N 295.169 3.831 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C)cc1 120194535 ISSSRTSDRBHZCW-ZIAGYGMSSA-N 273.376 3.512 30 20 CHED CO[C@@H](CNCC(C)(C)CCC#N)c1ccccc1Cl 124929461 ZLWWCWCAIKAOBU-HNNXBMFYSA-N 294.826 3.947 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccc(Cl)cc1C 125046855 RTUAZQSHOSSCNU-NSHDSACASA-N 268.740 3.535 30 20 CHED N#Cc1cc(F)c(NC[C@@H]2Cc3ccccc32)c(F)c1 126969177 ACYPCTVKCLZDNG-LBPRGKRZSA-N 270.282 3.588 30 20 CHED C=CCn1c(S[C@H](C#N)CC)nnc1-c1cccs1 127841916 ZDLUBYIRRFVTEX-JTQLQIEISA-N 290.417 3.587 30 20 CHED C=CCn1c(S[C@@H](C#N)CC)nnc1-c1cccs1 127842106 ZDLUBYIRRFVTEX-SNVBAGLBSA-N 290.417 3.587 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@@H]2CCCC[C@@H]2C1 130409570 GGFPBTPCBCIUGH-JKSUJKDBSA-N 284.403 3.579 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cccc2[nH]ccc12 130787953 IIHBAWRFHVMZMU-UHFFFAOYSA-N 275.355 3.672 30 20 CHED CC(C)(C)c1cnc(COc2ccc(C#N)cc2F)o1 134318264 VPHODXLZHBLWFC-UHFFFAOYSA-N 274.295 3.562 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1cccn1C 153224245 URJHUDBISVPEGH-UHFFFAOYSA-N 280.824 3.928 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ccccc1Cc1ccccc1 153534633 LYLJEAHVYRYPJJ-AWEZNQCLSA-N 293.370 3.701 30 20 CHED N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)s1 155096851 GDBCMGWLPVTYLN-HNNXBMFYSA-N 282.412 3.684 30 20 CHED C=CCC[C@@H](NC(=O)NCCc1ccco1)c1ccccc1 155994771 RTSJPYIPTWMNBA-QGZVFWFLSA-N 298.386 3.829 30 20 CHED CC(C)(CCC#N)CNc1cccc(N2CCCCC2=O)c1 156584479 ODNXXUTWFNYVNS-UHFFFAOYSA-N 299.418 3.945 30 20 CHED CCCN(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 157512772 NRKQHMAEIOCGLH-UHFFFAOYSA-N 293.370 3.784 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(Cl)s2)c(F)c1 158141880 XQQBPLXZVJDBFL-UHFFFAOYSA-N 281.695 3.631 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2cc(C#N)ccc2F)n1 159766693 ACUYCSOQPNKCNC-GOSISDBHSA-N 295.361 3.738 30 20 CHED CN(Cc1ccc(C#N)cc1Cl)CC1CCCC1 162908097 NFXCBLVHFJWNSO-UHFFFAOYSA-N 262.784 3.834 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@H](C)Cc1cccs1 165494931 CKULNNJPOYBDSS-CQSZACIVSA-N 284.428 3.991 30 20 CHED CC(C)=CCSc1ccccc1C(=O)N[C@@H](C)CC#N 172836724 PUXWWOUVONULRW-ZDUSSCGKSA-N 288.416 3.777 30 20 CHED CCN(C(=O)c1cccc(C)c1)c1ccc(C#N)cc1 174072621 MTXKOJJOPOZYSW-UHFFFAOYSA-N 264.328 3.533 30 20 CHED N#Cc1cc(NC(=O)CCC2CCC2)ccc1Cl 175436427 RYMVSSGOORYHIJ-UHFFFAOYSA-N 262.740 3.730 30 20 CHED C=CCCCC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 175720006 DYOJWFKHVUMGMA-BLLLJJGKSA-N 295.810 3.889 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C#N)s2)s1 176404836 GCPCNYICONNFDD-AATRIKPKSA-N 259.355 3.886 30 20 CHED C=CCCCC(=O)NC(C)(C)c1ccc(F)c(F)c1 176894621 STEQFVLUUIFXNO-UHFFFAOYSA-N 267.319 3.672 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)Cc2cccs2)n1 177771002 HPJZBIKGERPDJE-LLVKDONJSA-N 290.413 3.747 30 20 CHED C=CCCCC(=O)Nc1cc(F)ccc1OC(F)F 177815500 DNVRSGRKNQBUCT-UHFFFAOYSA-N 273.254 3.722 30 20 CHED Cc1ccccc1C[C@@H](C)NCc1ccc(C#N)cc1F 177859371 AUIKFLZSUQAGFM-CQSZACIVSA-N 282.362 3.727 30 20 CHED N#CCCCCN[C@H]1CC2(CCC2)Oc2ccccc21 178646681 XPQDWXVTDBPOOM-HNNXBMFYSA-N 270.376 3.716 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)C2(c3cccc(Cl)c3)CC2)C1 178786165 OLRXWCLPDOSKNZ-BXUZGUMPSA-N 289.762 3.607 30 20 CHED CO[C@H](C)c1nc(CNc2cccc(C#N)c2C)cs1 179053154 YYXVYDKJGOGDLA-LLVKDONJSA-N 287.388 3.643 30 20 CHED COc1ccc(CN(C)[C@@H]2CCc3ccccc32)cc1C#N 179193828 SKCXVZAITTXOLH-GOSISDBHSA-N 292.382 3.686 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(CC(F)(F)F)c1 181765717 LFTZFZIWZYFSGS-UHFFFAOYSA-N 286.297 3.831 30 20 CHED CCOc1ccccc1CN[C@H](C)c1cccc(C#N)c1 181979542 NPUCLKJTOUYYFM-CQSZACIVSA-N 280.371 3.808 30 20 CHED N#Cc1cccc(N2CCC(c3ccc(Cl)cc3)CC2)n1 185958356 VQEDMJWKNKKOMO-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C[C@H](N[C@H]1CCOc2c(F)cccc21)c1ccc(C#N)cc1 188052983 OFASKYVZUKUVDD-SJCJKPOMSA-N 296.345 3.872 30 20 CHED C=CC[C@@H](C(=O)NC[C@@]1(C)CCCS1)c1ccccc1 188543894 IZJSRYNHJNSAGE-NVXWUHKLSA-N 289.444 3.748 30 20 CHED CC[C@@H](C)CC(=O)Nc1cccc(OCCCC#N)c1 189014270 HYESWFJQDBCOTD-CYBMUJFWSA-N 274.364 3.744 30 20 CHED N#Cc1ccc(CN[C@H](Cc2ccccc2)C2CC2)cc1F 192164898 QCCJUENBVUOKIR-LJQANCHMSA-N 294.373 3.808 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1ccc(F)c(F)c1 194588004 QXRWVSIIUZMOQR-SOFGYWHQSA-N 269.250 3.733 30 20 CHED C=CCSCCNC(=O)Nc1ccc2[nH]c(C)cc2c1 194630977 FQLSQKUOQRXXTB-UHFFFAOYSA-N 289.404 3.517 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc2ncccc2c1 195073471 SGYZWNBRJNGDBZ-UHFFFAOYSA-N 282.343 3.722 30 20 CHED Cc1ccc(CNc2nc3c(cc2C#N)CCCC3)cc1F 217640339 KVQCDRXUHPYLED-UHFFFAOYSA-N 295.361 3.892 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(Cl)ccc1Cl 233356520 JBILNRMVRWWHAS-SNVBAGLBSA-N 285.174 3.917 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1C[C@H](C)O[C@H](C)C1 246783472 QHCXXDDWKDVACV-SCAQPMJSSA-N 293.451 3.785 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NCc2ccc(C#N)cc2F)C1 252209527 XUILVQOFPHTPSZ-JYAVWHMHSA-N 260.356 3.612 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(C(=O)O)cc1 263450947 ZOQGAWLHJQKCOG-ZDUSSCGKSA-N 261.365 3.609 30 20 CHED N#CCCCCN[C@@H](c1ccccc1)C(F)(F)F 263805863 LIDGDPTTZUPULK-LBPRGKRZSA-N 256.271 3.573 30 20 CHED CC1(c2ccccc2)CC(NC(=O)C2(C#N)CCCCC2)C1 264280737 DWGLMYNRADSMBE-UHFFFAOYSA-N 296.414 3.697 30 20 CHED C=CCCCN1CCC[C@H]1C[C@H](O)c1cccs1 267442007 IMNAVUVAVRZLBA-KBPBESRZSA-N 265.422 3.602 30 20 CHED CC(C)[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 268589489 FMMOWMLXTPWLMV-RBUKOAKNSA-N 294.398 3.579 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)cc1 271267853 BVSIWCZMYTUQTI-UGSOOPFHSA-N 298.361 3.563 30 20 CHED CC(C)(C)CN(Cc1ccccc1)C(=O)c1c[nH]c(C#N)c1 271941768 BSJZIDAOCSDUGG-UHFFFAOYSA-N 295.386 3.575 30 20 CHED CCS[C@@H](C)c1noc(/C=C/c2ccc(C#N)cc2)n1 274021804 SWYAZTVTGCSVIC-FBOQAHMBSA-N 285.372 3.926 30 20 CHED CCCOc1cccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c1 274319631 KCDCBMVCLOLIOL-KRWDZBQOSA-N 288.391 3.534 30 20 CHED C=C(C)CNC(=O)N1CCC(=Cc2ccccc2F)CC1 275025944 NYSWSCWFAXELEE-UHFFFAOYSA-N 288.366 3.591 30 20 CHED N#CCCC[S@](=O)Cc1nc(C2CCCCC2)cs1 277528788 DGTCJTGVRBXEKI-IBGZPJMESA-N 296.461 3.743 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2oc(C3CC3)nc2c1 278583640 SJFOUZJWZUUZHR-UHFFFAOYSA-N 283.331 3.584 30 20 CHED C=CC[C@H](CC)N[C@H]1CCCc2nc(C)sc21 281488859 GEYDKRHFWZVNQP-AAEUAGOBSA-N 250.411 3.773 30 20 CHED C[C@H]1c2ccsc2CCN1c1nc(Cl)c(C#N)s1 286320915 ZUDSCTVNYNZMEY-ZETCQYMHSA-N 295.820 3.853 30 20 CHED CC(C)(C)C(=O)c1ccsc1NC(=O)CCCC#N 292070391 OQFHLMSUVIBSGI-UHFFFAOYSA-N 278.377 3.609 30 20 CHED CCc1cnc(CNc2nc(C)c(C#N)cc2Cl)s1 292627463 NVYYRAYVESOSLK-UHFFFAOYSA-N 292.795 3.546 30 20 CHED CCN(Cc1ccncc1C)[C@@H](C)c1ccc(C#N)cc1 294767737 JEWQPDNCTSGJFT-HNNXBMFYSA-N 279.387 3.845 30 20 CHED N#Cc1c(Cl)cccc1NCC1CC(F)(F)C1 295653935 GVRWRRVVOLCXCE-UHFFFAOYSA-N 256.683 3.669 30 20 CHED C#CCC1(c2nc([C@@H](CCC)OC)no2)CCCCC1 296235172 AQDKPHOBIMBLLV-CYBMUJFWSA-N 276.380 3.782 30 20 CHED C[C@@H]1CCC[C@H](N(C)c2snc(Cl)c2C#N)C1 301124100 VGGHRKPUBPECAM-BDAKNGLRSA-N 269.801 3.683 30 20 CHED Cc1cccc([C@@H](C)Nc2ccc(C#N)nc2)c1C 301541001 VIPDBRGKTKBFME-CYBMUJFWSA-N 251.333 3.743 30 20 CHED C=CCC[C@H](Nc1cc(C)nc2ncnn12)c1ccccc1 301755663 DCVKKUUSOZRNCU-HNNXBMFYSA-N 293.374 3.552 30 20 CHED C=C[C@H](C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 302152264 CGQBYIXJWBTRPZ-LBPRGKRZSA-N 299.330 3.555 30 20 CHED CSC1(CNc2ccc3cc(C#N)ccc3n2)CCC1 302861299 PTMCQNQZGYSVMP-UHFFFAOYSA-N 283.400 3.804 30 20 CHED Cc1cc(Oc2c(C#N)cccc2C#N)c(F)cc1[N+](=O)[O-] 302902975 UJAKSYYBFJPXRA-UHFFFAOYSA-N 297.245 3.578 30 20 CHED Cc1ccc(C#N)c(N2CC[C@@H](CC(C)(C)C)C2)n1 307780060 TZLUQXMDKKDSJJ-ZDUSSCGKSA-N 257.381 3.524 30 20 CHED Cc1nc(NCCc2ccc(Cl)cc2)ccc1C#N 311830125 KBAANYGRARQVTP-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cccc2ccccc12 315748589 WSNZNKKCABHXSO-UHFFFAOYSA-N 281.359 3.901 30 20 CHED C[C@]1(C/N=C(/O)Nc2cccc3ccsc23)CCCO1 328782036 JOUKJHJEHIWHOJ-OAHLLOKOSA-N 290.388 3.796 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2nc(C3CC3)cs2)CCC1=O 328911644 GOIPNDGGRAGGDG-SCZZXKLOSA-N 278.377 3.614 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc3ncccc23)CCC1=O 328930895 ZINZZGJIRVOKIX-NWDGAFQWSA-N 282.343 3.828 30 20 CHED Cc1coc2ccc(N=C(O)[C@@H]3CCO[C@@H]3C)cc12 330059899 LSUZXBLDWCYSMT-ZYHUDNBSSA-N 259.305 3.754 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1C[C@H]2CC[C@H]1O2 330099750 DKBZUSPCTIIYNP-MGPQQGTHSA-N 297.358 3.541 30 20 CHED N=C(O)N1CCc2ccc(N=C(O)[C@@H]3CC34CCCC4)cc21 330310160 NEWRZLFYHXPDEQ-ZDUSSCGKSA-N 299.374 3.710 30 20 CHED CCCC[C@@H]1CCC[C@H]1/N=C(/O)c1ncoc1CC 330820718 DAQLVHVFXQSTMM-VXGBXAGGSA-N 264.369 3.901 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CC=CCC2)c(Cl)c1 334531543 JBTRJGJNCWSAFD-LBPRGKRZSA-N 274.751 3.701 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)CC1 334986791 RYSHPVBFYISPTN-CQSZACIVSA-N 285.391 3.797 30 20 CHED N#Cc1ccc(NC(=O)c2cccnc2C2CC2)c(Cl)c1 335280599 WXJADCCYORWXTG-UHFFFAOYSA-N 297.745 3.736 30 20 CHED N#Cc1ccc(N2CCC(F)(c3cccnc3)CC2)c(F)c1 335952459 UXKIHYNZIHQHMB-UHFFFAOYSA-N 299.324 3.558 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 336217820 SDTNGKFFWJPVFY-QGLXBCBXSA-N 298.430 3.969 30 20 CHED Cc1ccccc1CNc1nc(C)c(C#N)cc1Cl 336815921 JSVYEYCMXXASLE-UHFFFAOYSA-N 271.751 3.836 30 20 CHED N#CCCN(Cc1ccccn1)C[C@@H]1CCCC(F)(F)C1 338311519 DSHKUGNVEKFFAW-CQSZACIVSA-N 293.361 3.623 30 20 CHED COC1(CCSc2nc(C)cc(C)c2C#N)CCC1 338513090 XXFSATMSLIVZNB-UHFFFAOYSA-N 276.405 3.621 30 20 CHED C[C@]1(CNc2cc(C#N)ccn2)C[C@H]1c1ccccc1 338737343 BJBIPSUKEOMEEG-DOTOQJQBSA-N 263.344 3.559 30 20 CHED C=CCOCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 338888596 SUOGGTKCFTWQQI-CJNGLKHVSA-N 275.392 3.570 30 20 CHED CCN(CCC#N)CCCc1ccccc1Br 343529547 BTGRABJAZSKPPH-UHFFFAOYSA-N 295.224 3.617 30 20 CHED CCCC(CCC)[S@](=O)CCCC1(C#N)CCOCC1 346371045 FQQORJASRJLODI-HXUWFJFHSA-N 299.480 3.804 30 20 CHED C=CCC1(c2nc([C@@H]3CCOc4ccccc43)no2)CCC1 346526028 IHTFVAATCGKPQL-CQSZACIVSA-N 296.370 3.982 30 20 CHED Cc1ccc(C#N)c(NCCCSc2ccccc2)n1 346829452 KQTOZKKUFYQENL-UHFFFAOYSA-N 283.400 3.856 30 20 CHED N#Cc1ccc(OCCN2Cc3cccc(Cl)c3C2)cc1 347446013 HAAORBJMJHBSPJ-UHFFFAOYSA-N 298.773 3.606 30 20 CHED C=CCN(Cc1ccc(CC)nc1)Cc1cccs1 347646254 DOXICLBNZYFMPN-UHFFFAOYSA-N 272.417 3.894 30 20 CHED Cc1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)[C@H](C)C2 348378579 JSLPQPBZPOVEMF-CJNGLKHVSA-N 254.377 3.512 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ncccc2SC)no1 350934815 UTKVCRSYOKHDGH-SNVBAGLBSA-N 291.376 3.507 30 20 CHED CCN(CCCC(C)(C)C#N)[C@@H]1CCOC(C)(C)C1 351918902 KRIHRUBDVKQPEI-CQSZACIVSA-N 266.429 3.596 30 20 CHED C=CCCC1(C(=O)Nc2cc(C#N)ccc2C)CC1 355366967 ISPNXRBXEKTNJL-UHFFFAOYSA-N 254.333 3.552 30 20 CHED CC1(C)C[C@H]1c1noc(/C=C\c2ccc(C#N)cc2)n1 355874504 RLNUCYBIBKOFKB-WSROAFLRSA-N 265.316 3.625 30 20 CHED C=CCCC1(C(=O)NCc2ccnc(SCC)c2)CC1 356890556 DMMBVFCBCMSQMX-UHFFFAOYSA-N 290.432 3.556 30 20 CHED C=CCN(C(=O)c1ccc(OCC(C)C)cc1)C1CC1 357530454 WVBOUVAAIHWYBO-UHFFFAOYSA-N 273.376 3.512 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1CCC(F)(F)C1 359387464 YFNKDRVQUQPDOT-AWEZNQCLSA-N 279.330 3.637 30 20 CHED COC1CCC(C)(CNc2ccc(C#N)cc2F)CC1 359818873 OQZQCRCGXVNFFE-UHFFFAOYSA-N 276.355 3.705 30 20 CHED COCCCC[C@@H](Nc1ccc(C#N)nc1)c1ccccc1 359899806 MFCXOOSWRWVKFZ-GOSISDBHSA-N 295.386 3.923 30 20 CHED Cc1cc(CNc2ccc3c(C)nn(C)c3c2)ccc1C#N 361065378 JLSDETGPBBUESQ-UHFFFAOYSA-N 290.370 3.674 30 20 CHED C#CCCCCN[C@H]1CCC[C@@H](c2cccnc2)C1 367067165 QIAGMVGSQCXGHY-WBVHZDCISA-N 256.393 3.501 30 20 CHED Cc1ccc(CC2CCN(C[C@H](C#N)CCC#N)CC2)cc1 374680298 PVSJGQYCSBGIFI-IBGZPJMESA-N 295.430 3.693 30 20 CHED N#Cc1ncccc1N[C@H](c1ccccc1)c1ccccn1 378021002 XVTPMBZMOVVXPB-GOSISDBHSA-N 286.338 3.550 30 20 CHED N#Cc1ccccc1OC[C@H]1CCCCC1(F)F 382201013 RWHZVXYJBMFZBJ-GFCCVEGCSA-N 251.276 3.763 30 20 CHED C=CCCCN(C)Cc1c(C(=O)O)sc2ccccc12 382479993 NMGLLBKCJIWVCT-UHFFFAOYSA-N 289.400 3.998 30 20 CHED C=CCCCN(C)C[C@@H]1CCC2(CCCCC2)O1 409445456 LWPZSYVUYMUNNN-HNNXBMFYSA-N 251.414 3.766 30 20 CHED C=CCN(CCc1ccccc1)[C@H](C)c1nc(C(C)C)no1 411192619 DMEFBJXCSWJVSR-OAHLLOKOSA-N 299.418 3.985 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N([C@@H](C)CCC#N)C2)cc1 411683931 HPYVTYSPQNJRKT-ZMSDIMECSA-N 256.393 3.865 30 20 CHED CC(=O)c1c(C)cc(C)c(CSCCC#N)c1C 413016106 VCLYGWMOOJRQFI-UHFFFAOYSA-N 261.390 3.961 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc2ccccc2n1 414160440 DCUOPLRAVJCSPX-CYBMUJFWSA-N 267.376 3.825 30 20 CHED Cc1c([C@H](C)NCC(C)(C)CC#N)cnn1C(C)(C)C 414165074 LDLGOHKWKWWYIH-LBPRGKRZSA-N 276.428 3.537 30 20 CHED N#CC1(CC[S@@](=O)Cc2ccccc2)CCCCC1 414238478 XOCOUZLCHJCEBA-LJQANCHMSA-N 275.417 3.799 30 20 CHED CCCCCC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416104414 JKIDLXHMHRHBNH-MRXNPFEDSA-N 270.376 3.632 30 20 CHED CCc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 418137766 CEVBBSDKAOSEED-IBGZPJMESA-N 291.398 3.683 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(C)c(C)n2)no1 420510325 IUVQOBFHPJDCEM-UHFFFAOYSA-N 269.348 3.984 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)s1 421347587 CSAYGDSHLVXGPC-UKRRQHHQSA-N 297.427 3.831 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC(C)(C)CC(C)C 426051259 OKRJRRYVBKLVPM-CQSZACIVSA-N 266.429 3.809 30 20 CHED N#CCC1(CNCc2ccc(Cl)c3cccnc23)CC1 430064173 YXRWSQYZURFVIP-UHFFFAOYSA-N 285.778 3.672 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC1(CC#N)CC1 431196133 KHNNOKUQNRACGG-INIZCTEOSA-N 299.418 3.719 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 434017629 RWRWWOWXAXURHT-NVXWUHKLSA-N 298.430 3.714 30 20 CHED C[C@H]1[C@@H](C)SCCN1CC#Cc1cccc(Cl)c1 438100689 MSKACRAFBPIDPZ-QWHCGFSZSA-N 279.836 3.517 30 20 CHED CS[C@@H]1CCCCN(CC#Cc2ccc(Cl)cc2)C1 441127772 CHGGPFZQOBEUGF-MRXNPFEDSA-N 293.863 3.909 30 20 CHED C=CC[C@H]1N(CCN2CCCCC2)CCCC1(C)C 444773656 FHSISSPZNOBLLR-MRXNPFEDSA-N 264.457 3.539 30 20 CHED Cc1cccc(CN2CCCC(C)(C)[C@H]2C#N)c1C 446974914 MUZLOYKTTZEVOO-MRXNPFEDSA-N 256.393 3.818 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1F 447479775 JSMMAQWBKNBIBC-HIFRSBDPSA-N 288.366 3.723 30 20 CHED C=CCCC(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1C 448194080 QONNRSATHRDVEN-WBVHZDCISA-N 287.403 3.767 30 20 CHED C=C(C)CCN[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 449472850 GICYVLUCSNOCJN-UONOGXRCSA-N 277.408 3.752 30 20 CHED N#Cc1ccc(CNC2CCc3ccccc3CC2)s1 449597102 YSTMOSACTGGTIP-UHFFFAOYSA-N 282.412 3.657 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 449880055 LMJSCVDMNOUIOX-UHFFFAOYSA-N 271.364 3.768 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 449885319 DUFSYNFKSHFDEA-DDTOSNHZSA-N 297.320 3.890 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 449952940 XIEWXTLUYZVRCA-HOCLYGCPSA-N 271.404 3.851 30 20 CHED C=CC(C)(C)C(=O)NCC1(Cc2ccccc2)CCC1 450101752 DSSOSCIOOHJYEM-UHFFFAOYSA-N 271.404 3.728 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCC(=O)C(C)(C)C 450427166 RXJOITXSDGEGLX-CYBMUJFWSA-N 267.413 3.633 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc(F)c(Cl)c1 450671920 GUPVAABBAUVXEP-JTQLQIEISA-N 266.747 3.824 30 20 CHED C=CCC1(C(=O)Nc2cccc3c2CCO3)CCCC1 451565423 LRYPLMMVAYIVST-UHFFFAOYSA-N 271.360 3.697 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(c2)CCC3=O)CC1 452310959 HWIRJZPUUFDADK-UHFFFAOYSA-N 269.344 3.500 30 20 CHED CC(C)[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@@H]1C(C)C 454166786 JVMDTLZZIYEZBM-JKSUJKDBSA-N 285.391 3.703 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)NCc2cccc(C#N)c2)C1 454323635 PGHDGMIBOYXOEO-INIZCTEOSA-N 299.418 3.526 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C)c(OC)c1C 454454404 WTVYFDDJCGTLCY-UHFFFAOYSA-N 276.380 3.646 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(OC(C)C)c1 455807565 MUWBEYUYVBNVCF-UHFFFAOYSA-N 262.353 3.562 30 20 CHED C[C@@H]1CC=C(C(=O)Nc2cc(C#N)ccc2NC2CC2)CC1 456010021 BJZGZQBOELHXIC-GFCCVEGCSA-N 295.386 3.817 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2cccnc2)CCCCC1 457495250 HFPGHAYZXUIWSR-AWEZNQCLSA-N 287.407 3.721 30 20 CHED CC(C)(CC#N)CNCc1ccc(F)c(C(F)(F)F)c1 459729810 KVJHSBBOCMYIOJ-UHFFFAOYSA-N 288.288 3.874 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C)cc(C)c1Br 461669727 PVCLAQQCQCNOEM-NSHDSACASA-N 296.208 3.760 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc2c(C)nn(C)c2c1 462871709 RBGTXGBRFNZJTC-VXGBXAGGSA-N 257.381 3.894 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1 463119914 RWVQAGKWVGKYAB-CQSZACIVSA-N 278.355 3.715 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1cccc(C#N)c1C 463625583 VXVPWBRCHQLZDN-UHFFFAOYSA-N 273.380 3.767 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C1CC1)[C@H](C)C(C)C 466376931 PSJNWAOGUUKHLQ-CHWSQXEVSA-N 252.402 3.560 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1c(C)cc(C)cc1C 467739603 GXACNAHBEANJRB-SFHVURJKSA-N 273.420 3.873 30 20 CHED C=CCOCCCN1CCC[C@@H]1Cc1ccccc1C 470775257 WSKZRFZNKSLSNW-GOSISDBHSA-N 273.420 3.595 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)N[C@H]1CC[C@H](C#N)C1 471586420 CKPSQPFWFNLJNW-XIRDDKMYSA-N 274.383 3.675 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[C@@H](C#N)C1 471590739 OFTAOZKKMDHUJA-UXIGCNINSA-N 296.336 3.918 30 20 CHED C=CCC[C@@H](O)CN(C)[C@@H](C)Cc1ccc(Cl)cc1 472589470 JHLIXMXCOVYEQR-XJKSGUPXSA-N 281.827 3.530 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Sc1ccc(Cl)cc1 479287719 PQFLNKCWXYFMMY-NSHDSACASA-N 283.824 3.855 30 20 CHED Cc1ccc(Cl)c2ccc(N(C)C[C@H](C)C#N)nc12 484127350 CIBRXPCNWXMWEO-SNVBAGLBSA-N 273.767 3.793 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(C)c(F)cc1Cl 487478892 XMJLFBPMQYDXHC-UHFFFAOYSA-N 282.746 3.993 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1CCC(C)C 489039331 ITGAUCLCXBCWRJ-HNNXBMFYSA-N 274.408 3.715 30 20 CHED N#Cc1cc(F)ccc1CN1CCC[C@@H]1C1CCCC1 489580122 USVBVZIBMMRCIJ-QGZVFWFLSA-N 272.367 3.852 30 20 CHED N#Cc1c(F)cccc1C(=O)NCCC1=CCCCCC1 490104516 WAPKCKLINIKHLE-UHFFFAOYSA-N 286.350 3.708 30 20 CHED C=CCN(CCc1ccco1)C(=O)CCC1CCCC1 490314124 NCIDERQCVOPGOA-UHFFFAOYSA-N 275.392 3.807 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(C)cc(C)cc1C 491096481 STSPACDYNHDEKB-AWEZNQCLSA-N 258.365 3.535 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](C)[C@H](C)CC 502780742 HBGRVISBASPTKH-HUUCEWRRSA-N 259.393 3.883 30 20 CHED CN(CCCOc1ccccc1)c1ccc(C#N)cc1F 506811357 BWRYVRNCXPHYAD-UHFFFAOYSA-N 284.334 3.603 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CC[C@H](CC(C)C)C1 509009685 DHAOTLMNOMIMSA-LSDHHAIUSA-N 290.455 3.850 30 20 CHED C=C(C)CN(CC=C(C)C)Cc1cnn(C(C)C)c1 512516201 BVXBFTAYXINDSM-UHFFFAOYSA-N 261.413 3.808 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@@H](C)C[C@@H](C)C1 514615892 NIMRFAPBSVQXIB-OKILXGFUSA-N 288.439 3.604 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)NCC1(c2ccccc2)CCCCC1 514709703 MCBDKCBKTFCRSP-HNAYVOBHSA-N 296.414 3.554 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1 515744477 JXMGNGZFFOVSQZ-LJQANCHMSA-N 294.373 3.904 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N(CCC#N)c1ccc(F)cc1 519575451 XVJFEUDJVYTFCH-ZIAGYGMSSA-N 288.366 3.899 30 20 CHED Cn1ccc2c(C(=O)N(CCC#N)CC(C)(C)C)cccc21 520523238 AFZKHSPMRSGGKZ-UHFFFAOYSA-N 297.402 3.580 30 20 CHED C=CCN(C)CCCCCc1cc(-c2ccccc2)n[nH]1 521032644 DGVCFJXADYWZTB-UHFFFAOYSA-N 283.419 3.907 30 20 CHED CC1(NC(=O)Nc2ccc(F)c(C#N)c2)CCCCC1 523928708 DUPRKTNUUJYWLG-UHFFFAOYSA-N 275.327 3.542 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN(CCC#N)CC(C)(C)C 525328107 YHDBJYNCEKACJY-CVEARBPZSA-N 280.456 3.843 30 20 CHED Cc1cc(C)cc(CCNC(=O)Nc2cccc(C#N)c2)c1 525399004 WFBPIHNAAMYZDD-UHFFFAOYSA-N 293.370 3.539 30 20 CHED Cc1cn(CCCOc2ccc(Cl)cc2)cc1C#N 533228514 OXXYEISMFKPQJX-UHFFFAOYSA-N 274.751 3.791 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C#N)cc1 537594115 SSKPCQADDLEYLK-UGSOOPFHSA-N 290.366 3.612 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C1 538220146 AGHAGDVAECDQMO-UHFFFAOYSA-N 279.343 3.560 30 20 CHED CC(C)CSCCN[C@H](C)c1ccc(C#N)c(F)c1 539606735 NPKQIYSVWLIFIB-GFCCVEGCSA-N 280.412 3.737 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cc2c(s1)CCCC2 539714883 RBUUOXIDCKHVMN-ZDUSSCGKSA-N 292.448 3.781 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCC[C@H]1CCc1ccccc1 540396826 GKFSZOYUMZSSKU-FHWLQOOXSA-N 287.447 3.562 30 20 CHED CC(C)(C)[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1 541391446 WZUWTLPHPCRBEL-CQSZACIVSA-N 260.356 3.565 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCC[C@@H]1c1ccccc1Cl 544603748 QNSAQVALNIURLL-LXZKKBNFSA-N 293.838 3.750 30 20 CHED C=CCC(F)(F)c1nc(-c2cnc3ccccc3c2)no1 550965823 LMTSJFVZRMJMMX-UHFFFAOYSA-N 287.269 3.953 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CC[C@@H](F)C2)c1 558030139 WDAUPVJQGXDPOW-NXEZZACHSA-N 272.245 3.880 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccccc1OC(C)C 558423280 BWESIMSHWPEGOC-DYVFJYSZSA-N 288.391 3.591 30 20 CHED CC(C)(C1=CCCCC1)c1noc(-c2cc(C#N)c[nH]2)n1 562562273 ZLFIAGNWXBJKSL-UHFFFAOYSA-N 282.347 3.714 30 20 CHED C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(C2CC2)cc1 564880832 DDLRVIOXQPTYEV-IIYDPXPESA-N 297.402 3.616 30 20 CHED C=CCOc1ccc(CNC[C@H]2CCSC2)cc1Cl 567321711 QZFXAGOPSDJEID-CYBMUJFWSA-N 297.851 3.748 30 20 CHED N#Cc1ccc(NC(=O)[C@]23CCC[C@@H]2C3)cc1C(F)(F)F 567342800 AWHSGKJDIJIBGY-YGRLFVJLSA-N 294.276 3.706 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)[C@@H]1CCC[C@@H](C)C1 573181439 NXQWYMNWXDFPFA-FSZRXZPDSA-N 288.435 3.791 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C#N)s2)C1 574288395 MKTUJTMAFWOXIE-LRDDRELGSA-N 283.400 3.598 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc([C@H]2CCCO2)no1 577232248 YPQJMHWKDVCZOB-UONOGXRCSA-N 270.332 3.629 30 20 CHED N#CCCC1CCN(CCCC(=O)c2ccccc2)CC1 582544052 OXZWPCAHWUHPGB-UHFFFAOYSA-N 284.403 3.665 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2c2ccnc(C#N)n2)cc1 582676201 DXTRETHUUSSUMN-KSSFIOAISA-N 292.386 3.634 30 20 CHED CC(C)(C)Oc1ccc(CNc2cc(C#N)ccn2)cc1 587510576 NKLKDDFKCOYFFO-UHFFFAOYSA-N 281.359 3.743 30 20 CHED Cc1cccc([C@H]2CCN(C(=O)CCCCCC#N)C2)c1 588164169 YWALYWBXGMWUBF-KRWDZBQOSA-N 284.403 3.785 30 20 CHED Cc1cc(-n2cccn2)ccc1NC(=O)CCCCCC#N 588165266 PRWRCQBRZVMJHI-UHFFFAOYSA-N 296.374 3.593 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cccc(C)c2F)cc1 589075196 GGZZVVRGCGOTMB-MRXNPFEDSA-N 296.345 3.691 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1C#N 590773315 FPBFRXXALWWPRT-AWEZNQCLSA-N 298.386 3.864 30 20 CHED CC[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)C1CCCC1 590807534 IZZRCFMGQWXLSP-GUYCJALGSA-N 299.418 3.887 30 20 CHED CC(C)CCCCC(=O)N[C@@H]1CCc2cc(C#N)ccc21 590911431 VGEBTKPZIBCWAL-QGZVFWFLSA-N 284.403 3.878 30 20 CHED CC[C@@H](NCCCc1ccco1)c1ccc(C#N)cc1 595092934 BKFQVTZUVGTTTI-QGZVFWFLSA-N 268.360 3.825 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC([C@H]2CCCCO2)CC1 595783353 MTUCTKVMYSLQPO-ZWKOTPCHSA-N 284.403 3.532 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC3(C=Cc4ccccc4O3)CC2)C1 595876238 BACACNSVNCRILT-DOTOQJQBSA-N 294.398 3.619 30 20 CHED CC(C)(C)c1cnc(CN2CCC[C@@H](CC#N)C2)s1 597175707 DEFKCBSJTFXPRE-LBPRGKRZSA-N 277.437 3.566 30 20 CHED CC[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 598232016 CZTIPEMONKGIKL-AWEZNQCLSA-N 298.411 4.000 30 20 CHED CC(C)C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1 598600707 PYNWEQRCFIGXDU-DLBZAZTESA-N 288.435 3.664 30 20 CHED Cc1cc(C)c(C(=O)N(CC#N)c2ccc(F)cc2C)o1 602386309 IVYNYJWKTGDQJP-UHFFFAOYSA-N 286.306 3.514 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H]1Cc1ccccc1 602434489 FBXJECUDYCMARL-RDJZCZTQSA-N 256.393 3.633 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](c2ccccc2F)C1 602474703 MZMCKYJVLSPSGB-UONOGXRCSA-N 260.356 3.555 30 20 CHED Cc1ccc(F)cc1N[C@@H](C)CC1(C#N)CCOCC1 602490300 QJXSQPHSSGDPCQ-ZDUSSCGKSA-N 276.355 3.645 30 20 CHED Cc1nc(C(C)(C)NC[C@H](C)CCC#N)sc1C 602546525 JFLRPBRYIKFMMH-SNVBAGLBSA-N 265.426 3.525 30 20 CHED C[C@H](CCC#N)CN[C@@H](CCc1ccccc1)C(F)F 602722397 CTZLSOJZBIQETQ-HIFRSBDPSA-N 280.362 3.782 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2[C@H](C)CCC2(C)C)c1 603034190 UHMPVBZSDUIQHD-GFCCVEGCSA-N 271.364 3.662 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1ccc(C)c(Cl)c1 604881234 QNLPYNZPUNRLCI-GFCCVEGCSA-N 265.784 3.662 30 20 CHED N#Cc1ccc(Nc2cccc(C(=O)NC3CCC3)c2)cc1 609989734 ZFYMBVKZUWXQED-UHFFFAOYSA-N 291.354 3.584 30 20 CHED C[C@H](NCc1cccc(C#N)c1F)c1ccc(F)c(F)c1 611376383 NTXQUGYFOSPTPP-JTQLQIEISA-N 290.288 3.826 30 20 CHED Cc1cccc2sc(C(=O)NCCCC#N)c(Cl)c12 612059431 XDFQTLFOGNNJLA-UHFFFAOYSA-N 292.791 3.897 30 20 CHED C[C@H](NC(=O)C1=CCCCCC1)c1cccc(C#N)c1 613959076 DHSFADOLSUKSHQ-ZDUSSCGKSA-N 268.360 3.626 30 20 CHED C[C@H](CN1CCC[C@](C)(C#N)C1)c1ccc(F)cc1 615136926 KFMDUODWQWGYTQ-CZUORRHYSA-N 260.356 3.555 30 20 CHED Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2cc(C#N)ccc21 618693621 KYJYHSWELXDUAB-QGZVFWFLSA-N 293.326 3.874 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnc(C(C)C)s1 620857798 JSVILZKLIDXHLI-UHFFFAOYSA-N 266.410 3.741 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(Br)co1 620864613 JIWBBYTXIXNUGR-UHFFFAOYSA-N 286.169 3.517 30 20 CHED C=CC(C)(C)CNC(=O)c1c(F)ccc(F)c1Cl 622088243 LDRLHBUVVSHQDD-UHFFFAOYSA-N 273.710 3.560 30 20 CHED C=CCC1(NC(=O)c2coc(SC)c2)CCCC1 633638976 RUCMGJYDINEGIS-UHFFFAOYSA-N 265.378 3.620 30 20 CHED Cc1cc(SCC(=O)CC(C)(C)C)ccc1C#N 647144115 MQWFLYQVQGWWFA-UHFFFAOYSA-N 261.390 3.964 30 20 CHED C=CCOCCCC(=O)NCc1cccc2ccsc12 650167294 HZTHBSYCIYNKFG-UHFFFAOYSA-N 289.400 3.500 30 20 CHED C=CCC1(NCc2cc(C)c3ncccc3c2)CCOCC1 657633086 GDVAGVCPAGKXPO-UHFFFAOYSA-N 296.414 3.758 30 20 CHED C=CC[C@H]1CCCN(c2ncnc3ccc(F)cc23)C1 664253271 LMVYUOYKGTYMKO-LBPRGKRZSA-N 271.339 3.561 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2nc(CCC)cs2)C1 666577482 IHLJROMVGFQHHU-LBPRGKRZSA-N 293.436 3.916 30 20 CHED C#CCCCCC(=O)Nc1cccc(Br)c1F 690353873 WRDLVMWZMUDCED-UHFFFAOYSA-N 298.155 3.720 30 20 CHED Cc1ccccc1C1(C/N=C\c2ccccc2O)CC1 726428495 BWROSCAQQCCISU-UNOMPAQXSA-N 265.356 3.851 30 20 CHED C=CCCC(=O)OCc1csc(-c2ccsc2)n1 726652262 BEGAAZMDPJIRCA-UHFFFAOYSA-N 279.386 3.881 30 20 CHED CCOc1cccc(C(=O)/C=C2/COc3ccc(F)cc32)c1 729149206 GURVYCIOARPSRE-LCYFTJDESA-N 298.313 3.883 30 20 CHED C/C=C/C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 729628158 ULOMNTBBWIHLQY-DUXPYHPUSA-N 278.311 3.865 30 20 CHED Cc1ccc(NN=Cc2ccnc3ccccc23)cc1 731311693 GLQLJJDMCKBSQM-UHFFFAOYSA-N 261.328 3.989 30 20 CHED CCCCCCCC(=O)N1CCN(C)c2ccccc21 732027709 IGOLUSBFBQSAHJ-UHFFFAOYSA-N 274.408 3.830 30 20 CHED C[C@H](COC(=O)/C=C/c1ccccc1C#N)c1ccccc1 735130799 AGJMBZFVNXDWNF-AYJWMTRPSA-N 291.350 3.918 30 20 CHED C=C(Cl)CNC(=O)N1CC(C)(C)[C@H]1c1ccccc1 736399163 SWUWNTZNLQGZTN-CYBMUJFWSA-N 278.783 3.532 30 20 CHED CCCCCCCN(C)[C@H]1CCN(CC)[C@H](C)C1 740882193 HIBAHMWRVYMRSW-CVEARBPZSA-N 254.462 3.761 30 20 CHED CCC(=NNc1cccc2c1CCCC2)c1cnn(C)c1 741805799 BRGBCIATSQMVJJ-UHFFFAOYSA-N 282.391 3.525 30 20 CHED C=CCOc1ccc(OCc2ncc(C(C)C)o2)cc1 742365955 XTOTVODSAOACAF-UHFFFAOYSA-N 273.332 3.942 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc2c(c1)COC2 742436251 ILDHKUDNVKBAGJ-SREVYHEPSA-N 296.370 3.634 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H](C)Oc2ccc(C)cc2)c1 743042158 HHUSBMDACRUAAG-ONDHQXCVSA-N 299.370 3.596 30 20 CHED C=CCN(C(=O)Nc1c(F)cc(F)cc1F)C(C)C 743221581 WXDYJRPRRFONJV-UHFFFAOYSA-N 272.270 3.532 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 743620471 NJRXPPNOSAZPKX-SWLSCSKDSA-N 292.810 3.574 30 20 CHED N#Cc1ccccc1CN(CCc1ccccc1)C1CC1 746119158 PMLGFVAUMYKROS-UHFFFAOYSA-N 276.383 3.765 30 20 CHED C/C(C=NOCc1cccnc1)=C/c1ccccc1 746586015 QCHHQJVSDOZORE-LWRXOGDWSA-N 252.317 3.688 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)C(C)C 747857176 NTMNDYRVUXKVBT-QWHCGFSZSA-N 263.406 3.583 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1ccc(C#N)s1)C2=O 749004266 CKYJIHGBJSWFQR-JYRVWZFOSA-N 290.347 3.704 30 20 CHED CCC(CC)NN=C(C)c1ccc2ccccc2n1 749815094 UIIUPIDWQIQVKL-UHFFFAOYSA-N 255.365 3.737 30 20 CHED Cc1ccc(C)c(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1 750783239 JELODEMWEFZSGU-QGZVFWFLSA-N 293.366 3.843 30 20 CHED C#Cc1cccc(NC(=O)CCCc2ccc(C)s2)c1 750818402 BESPFLMCCAHIIB-UHFFFAOYSA-N 283.396 3.999 30 20 CHED COCC(=NNc1cc(C(F)(F)F)ccc1F)C1CC1 753946908 LSOMICVRSKEMNG-UHFFFAOYSA-N 290.260 3.669 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N[C@H](C#N)C(C)(C)C)cc1C 754392691 SHPWEUNRJLVQCY-KXPUMZMLSA-N 284.403 3.680 30 20 CHED C=C(CC)CN[C@@H](C)c1cnn(-c2ccccc2)c1C 754688778 KXOUPYAFZHAJSZ-AWEZNQCLSA-N 269.392 3.798 30 20 CHED CC[C@H](C)C=NNc1nc(-c2ccc(Cl)cc2)no1 755722995 TWCLPTUIPFOXOD-VIFPVBQESA-N 278.743 3.834 30 20 CHED C#CCC(C)(C)C(=O)N(C)C/C(C)=C\c1ccccc1 756576005 URZSVHNOPUYINO-SQFISAMPSA-N 269.388 3.598 30 20 CHED Clc1c[nH]ccc1=NN=C1CCC[C@H](C2CC2)C1 756842249 NJNSPHDVDHRTKV-NSHDSACASA-N 263.772 3.525 30 20 CHED C#CC[C@@H](Nc1snc(Cl)c1C#N)c1ccccc1 756954462 ZPQCGYUNPFURBG-GFCCVEGCSA-N 287.775 3.845 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@@H](CC)C1)c1ccccc1 757063567 CZOAUQAPRHJAIP-NVXWUHKLSA-N 284.403 3.583 30 20 CHED CC1CC(C#N)(C(=O)N(C)c2ccc3ccccc3c2)C1 757635117 UUZYREZPTAHOGG-UHFFFAOYSA-N 278.355 3.742 30 20 CHED C=CC[C@@H](NC(=O)NCC12CCC(CC1)C2)c1ccncc1 757649544 UPIASZDAIBBKHD-BFHRDPOASA-N 299.418 3.578 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(N)cc1C 758089641 LHIAQHYWHYLUHE-UHFFFAOYSA-N 253.349 3.722 30 20 CHED C=CCCC(C)=NNc1oc(C(C)(C)C)nc1C#N 758110592 ZAAFVEIGRBDLSG-UHFFFAOYSA-N 260.341 3.598 30 20 CHED Cc1ccc(COC(=O)C2(C#N)CCCCC2)cc1C 758426397 QPTMADGQJXDWSO-UHFFFAOYSA-N 271.360 3.821 30 20 CHED C=C(C)CNC(=S)N[C@H](CCC)c1ccc(F)cc1F 758444894 FQBKLNRHLWQJFY-CQSZACIVSA-N 298.402 3.846 30 20 CHED FC(F)CON=Cc1c(Cl)cccc1OC(F)F 758900586 XWLBFOMKWAFWPI-UHFFFAOYSA-N 285.624 3.557 30 20 CHED Cc1c(C(=O)Nc2ncc(C#N)s2)oc2c(C)cccc12 759634966 ZMBBAYOFZHHUMK-UHFFFAOYSA-N 297.339 3.630 30 20 CHED N#Cc1ccc(NN=Cc2cnc(C3CCC3)s2)cc1 760241197 ARXKMQMSORRARF-UHFFFAOYSA-N 282.372 3.728 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1cnc(C)s1 761266345 HMZOAKJNVVQVGO-UHFFFAOYSA-N 296.399 3.514 30 20 CHED Cc1ccc2c(c1)OCCCC2=NNc1cccc(C#N)c1 763153960 PISYOPPPAQFGHN-UHFFFAOYSA-N 291.354 3.856 30 20 CHED C=CCN(CC1CCCCC1)C[C@@H](O)c1ccc(C#N)cc1 763411712 ULMBBNTVOWNQQH-LJQANCHMSA-N 298.430 3.660 30 20 CHED C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C(C)(C)C1 767196435 VERVPTHDRYRBSX-LBPRGKRZSA-N 271.408 3.876 30 20 CHED C#C[C@@H](C)N(C)C(=O)CC1CCC(c2ccccc2)CC1 767252569 CYHRQUBQNTXKDK-KLHKWILBSA-N 283.415 3.831 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cncc(C)c1 767386386 DBKNXSCBUVXSLQ-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1cscn1 767899265 GRBDEFVTJVSIRL-UHFFFAOYSA-N 296.739 3.541 30 20 CHED CC(C)CC1(C(=O)OCC2(C#N)CCC2)CCCC1 768103005 AYMDVGFTJXVNHZ-UHFFFAOYSA-N 263.381 3.830 30 20 CHED C=CCOCCCC(=O)OCc1ccc(Cl)cc1C 769115607 MXBOBXIHZJVQJT-UHFFFAOYSA-N 282.767 3.674 30 20 CHED CSc1ccc(/C=C\C(=O)c2cscn2)cc1 769260737 OOAMKWFXBYMBCS-DAXSKMNVSA-N 261.371 3.761 30 20 CHED COc1ccc(C=NNc2c(C)cccc2F)c(OC)c1 769841048 SOHJAJQJEARQMP-UHFFFAOYSA-N 288.322 3.597 30 20 CHED C#CCCN[C@@H](CC(F)(F)F)c1ccccc1C 769988828 FUBPTFMMOQYUTP-ZDUSSCGKSA-N 255.283 3.601 30 20 CHED C/C(=C\C(=O)Nc1cccc(C#N)c1C)c1ccccc1 770241573 VESXWUJWTSJPFM-ACCUITESSA-N 276.339 3.909 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCO[C@@H]1C 770689246 PMVBVKUFGWZUPO-RRFJBIMHSA-N 269.429 3.524 30 20 CHED N#Cc1ccc(/C=C2\CCc3ccccc3C2=O)c(F)c1 772804025 WRWMXLWTXIXDLI-XNTDXEJSSA-N 277.298 3.910 30 20 CHED CC(=NNc1nccnc1C(C)C)C1CCSCC1 773077934 JMCXERREWOJTEX-UHFFFAOYSA-N 278.425 3.531 30 20 CHED CS[C@H](C)CCC(=O)[C@H](C#N)c1ccc2ccccc2n1 773762020 XVLXNCXGMSCIPJ-TZMCWYRMSA-N 298.411 3.943 30 20 CHED CC(CSC(C)(C)C)=NN[C@@H]1C[C@H]2CC[C@H]1C2 774597174 OVOVLAIGJWXQGA-RWMBFGLXSA-N 254.443 3.672 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@@H]1CO 775552681 JXKYOULUUXKRSC-HZPDHXFCSA-N 283.456 3.747 30 20 CHED N#C[C@H](OC(=O)/C=C\c1cccc(F)c1)C1CCCCC1 776362081 YQQHSFILGBVLFF-YDZSZYSISA-N 287.334 3.855 30 20 CHED N#C[C@H](OC(=O)c1c[nH]c2ccccc12)C1CCCCC1 776370469 GJTWCENGHNCRHO-INIZCTEOSA-N 282.343 3.797 30 20 CHED N#C[C@H](OC(=O)[C@H]1CCOc2ccccc21)C1CCCCC1 776383418 LYXGBGDRPYTNNI-RDJZCZTQSA-N 299.370 3.568 30 20 CHED C(=NOC1CCCCC1)[C@H]1CCOc2ccccc21 777459405 PYYFDEOTJUAKLJ-CYBMUJFWSA-N 259.349 3.888 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)o1 777920636 YYLMQGOXYMHQQP-DAXSKMNVSA-N 289.262 3.785 30 20 CHED C=CCN(CCc1ccco1)C(=O)C(C)=C1CCCC1 779142561 XDURGMQFHZNOAS-UHFFFAOYSA-N 273.376 3.727 30 20 CHED N#Cc1cc(C(=O)Oc2ccc(-c3ccccc3)cc2)c[nH]1 779197226 OHAYTRXQKPIUAA-UHFFFAOYSA-N 288.306 3.773 30 20 CHED C#CC[C@H](OC(=O)c1oc(-c2ccccc2)nc1C)C(C)C 779217747 ICHNPPQWZUGCAU-HNNXBMFYSA-N 297.354 3.855 30 20 CHED CC(C)=C(C)C(=O)OCc1ccc(Cl)cc1C#N 780036117 BHFIGCJPTHAISI-UHFFFAOYSA-N 263.724 3.611 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1-c1ncc(C)[nH]1 780984703 LZWPQDDQERRPGM-UHFFFAOYSA-N 295.386 3.907 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1 782193753 HSCVFKBXLOSDDW-SNAWJCMRSA-N 298.729 3.533 30 20 CHED CC(C)(C#N)CCOC(=O)CCCc1ccsc1 783262736 KNYQWFIAIJFBHJ-UHFFFAOYSA-N 265.378 3.554 30 20 CHED C#CCN(C(=O)CCCc1ccsc1)C1CCCCC1 783450450 KIPPSRZJJMGJJJ-UHFFFAOYSA-N 289.444 3.865 30 20 CHED CCO[C@H]1CC(=NNC2CCCCC2)C12CCCC2 786043667 RISZFPFJVWGFJP-HNNXBMFYSA-N 264.413 3.634 30 20 CHED C=CCc1ccc(OC(=O)[C@@](C)(C=C)CC)c(OC)c1 786610562 PLXSSMZSAKSWLK-KRWDZBQOSA-N 274.360 3.931 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1c(F)cccc1Cl 786638567 NQPDBMIZTNHBGF-ZDUSSCGKSA-N 256.704 3.987 30 20 CHED C#CCC1(C(=O)OCc2c(CC)noc2C)CCCCC1 788219084 ZZLWVDDGTJWOAO-UHFFFAOYSA-N 289.375 3.562 30 20 CHED COc1cc(NN=C2CC(C(F)F)C2)ccc1Cl 788468004 NNKMLAPGZNDACW-UHFFFAOYSA-N 274.698 3.792 30 20 CHED CCC(=NNc1ncccc1C)c1cccc([N+](=O)[O-])c1 790186651 OEORDOMZNPLDDZ-UHFFFAOYSA-N 284.319 3.524 30 20 CHED CC[C@@H](C)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 790188246 FRUCFVLITQFESL-LLVKDONJSA-N 290.798 3.556 30 20 CHED CCCCCCCCCN1CCC(Cn2cncn2)CC1 792297360 RBCRKZVNZWEFOX-UHFFFAOYSA-N 292.471 3.741 30 20 CHED Cc1cc(F)ccc1C=NNc1cccc(Cl)n1 793174009 GBUCCTCPUZUJLL-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCCCCCCNc1cccc(OC(=O)NC)c1 793901296 NFHFLWNKAXVJPT-UHFFFAOYSA-N 264.369 3.787 30 20 CHED CSCCON=C(C)c1cccc(Br)c1 794574244 ZNQBITMUHGCUNZ-UHFFFAOYSA-N 288.210 3.553 30 20 CHED O=C(/C=C\c1ccc(C(F)F)cc1)c1cc(O)ccc1O 794941571 REHPBVKCUMFPDQ-CLTKARDFSA-N 290.265 3.932 30 20 CHED COCCCON=C(C)c1oc2ccc(OC)cc2c1C 795050959 JLVDDXHHWDMBPG-UHFFFAOYSA-N 291.347 3.527 30 20 CHED CCc1cccc(C)c1NC(=O)c1ccc(C)c(C#N)c1 799292642 JEDJJTCYSJESGJ-UHFFFAOYSA-N 278.355 3.990 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1cnn(-c2ccccc2)c1 806177693 GVZHVJIKTSHORY-OAHLLOKOSA-N 296.418 3.853 30 20 CHED FC(F)(F)c1cccc(NN=CCCC2CC2)n1 807973025 ZBYXXMHKYYLHRT-UHFFFAOYSA-N 257.259 3.688 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccc(O)c(C)c1 807994572 VFABMKNCTSKYQV-UHFFFAOYSA-N 296.374 3.594 30 20 CHED CC(=NN[C@H]1CCSC1)c1cccc(Cl)c1Cl 808001482 KRLDPAPTHAPKLP-VIFPVBQESA-N 289.231 3.813 30 20 CHED Cc1cccc2cc(C(=O)O[C@@H](C#N)C(C)C)sc12 808982339 RIYPAYJUPALYGQ-LBPRGKRZSA-N 273.357 3.915 30 20 CHED C#C[C@@H](NCc1ccc(OC)c(O[C@H](C)CC)c1)C(C)C 809685137 BICKRPQGZIMWQF-GDBMZVCRSA-N 289.419 3.620 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1cc2ccccc2s1 811658788 JYGBIFBXNPQTHL-LBPRGKRZSA-N 290.457 3.968 30 20 CHED Fc1ccc(Br)cc1C=NOC/C=C/Cl 811670119 YFGPNRWYWZDVNO-UOZKWQDASA-N 292.535 3.691 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 812183208 FZWLYAAKILDXBM-KDOFPFPSSA-N 298.430 3.851 30 20 CHED COc1ccc(F)cc1C=NNCc1ccccc1Cl 812226999 NTVVGZZEBVELJZ-UHFFFAOYSA-N 292.741 3.611 30 20 CHED CCOC(=O)c1ccc(NN=C(CC)CC)cc1C 812228183 GICOSCNIHHMSEC-UHFFFAOYSA-N 262.353 3.760 30 20 CHED C#CCON=Cc1ccc(-c2cccc(F)c2)s1 812233966 KPJCGIHBWMBUOQ-UHFFFAOYSA-N 259.305 3.538 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1cccc(F)c1 812240774 RNHSNMORUOFWFM-FNORWQNLSA-N 274.266 3.870 30 20 CHED C(=NNc1nc2ccccc2[nH]1)c1cc2ccccc2o1 812381772 COVNNMBXIIAKIM-UHFFFAOYSA-N 276.299 3.755 30 20 CHED CC(=O)Nc1cccc(C(C)=NNc2ccccc2F)c1 812459278 VKRJANMPBGKJAD-UHFFFAOYSA-N 285.322 3.620 30 20 CHED Cc1ccc(-c2nnc(S)n2N=CCCC(C)C)cc1 814727796 ZOFYBELZSHNNIT-UHFFFAOYSA-N 288.420 3.812 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccsc1C 814787454 NBNKUJRCIKCBBN-UHFFFAOYSA-N 269.373 3.851 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(N)nc1 814882244 LNFZCMJNYIOZAP-UHFFFAOYSA-N 294.280 3.519 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cc(C(=O)O)cs1 814885057 KYOVFVMTKNKBBN-UHFFFAOYSA-N 292.335 3.730 30 20 CHED Cn1cc(NN=C2CCCC[C@H]2C2=CCCCC2)cn1 814915307 SSNYMHSUAUWVMO-HNNXBMFYSA-N 272.396 3.879 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@H]1C1CCC1 814916537 IIEQDZTVCZKZHM-LBPRGKRZSA-N 258.369 3.578 30 20 CHED C=CCN(C[C@H](O)c1cccc2ccccc12)C(C)C 815020662 FUMNUZSTERFWBH-SFHVURJKSA-N 269.388 3.770 30 20 CHED C=CCCCC(=O)OCc1ccc(C(C)C)nc1C 815215175 QQHLQYRUKIFYRJ-UHFFFAOYSA-N 261.365 3.913 30 20 CHED CC(C)(C)C1CCC(=CC(=O)OCCOCCC#N)CC1 815220850 ZDAXODNZVYGREL-UHFFFAOYSA-N 293.407 3.623 30 20 CHED CC[C@@H](C)C(=O)N1CCCSC1=Nc1ccccc1 818023446 JOCOHFBBHHDZDF-GFCCVEGCSA-N 276.405 3.686 30 20 CHED CC1(C)CC[C@@H](OC(=O)[C@]2(C#N)CC23CCCC3)C1 820719380 WKGGFEQGOCDZDF-MLGOLLRUSA-N 261.365 3.582 30 20 CHED Cc1ccccc1/C=C\C(=O)c1cccc(CN(C)C)c1 821022060 NHTFLKPKUOIWMA-QXMHVHEDSA-N 279.383 3.953 30 20 CHED CCCCCCCCCNC(=O)c1cnn(C)c1Cl 822394667 VBSHYBKGJKSDBN-UHFFFAOYSA-N 285.819 3.554 30 20 CHED C#C[C@H](NC1CCC(COC)CC1)c1ccc(Cl)cc1 824416332 MTEYDQXNRBOITH-IMRCBTMISA-N 291.822 3.809 30 20 CHED CCCCCCC[C@H](C)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 827554912 LBFQXIXDYHDLKQ-HOTGVXAUSA-N 296.499 3.972 30 20 CHED Cc1ccccc1CCN(C)c1nc(Cl)c(C#N)s1 828407477 ABNLLFXOZIXWCX-UHFFFAOYSA-N 291.807 3.656 30 20 CHED CCn1cc(/C=C\C(=O)c2cccc(C3CC3)c2)cn1 834444592 IULPCIJBBDTQAY-TWGQIWQCSA-N 266.344 3.677 30 20 CHED CCC(CC)NN=Cc1cccc(F)c1Br 834959189 GUOASKYCDVXVBJ-UHFFFAOYSA-N 287.176 3.700 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 835168956 MIMRLCBGTHOPIC-UHFFFAOYSA-N 283.711 3.504 30 20 CHED C=CCC[C@H](C)OC(=O)CCCC(=O)C(C)(C)C 835267070 GZZMZRSESATGCK-LBPRGKRZSA-N 254.370 3.670 30 20 CHED CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 835349475 WGSBLFHCAFGUDD-KBPBESRZSA-N 295.386 3.878 30 20 CHED C#CCN(C(=O)Nc1cc(Cl)ccc1SC)C1CC1 836339930 UJMFWVBTJFMJGY-UHFFFAOYSA-N 294.807 3.691 30 20 CHED C=CCC1(NC(=O)CCCCN2CCCC2)CCCCC1 836956262 CWIDUBBPKCIHAZ-UHFFFAOYSA-N 292.467 3.648 30 20 CHED C=CC(C)(C)C(=O)OCc1ncc(-c2cccs2)o1 837863666 FEZAHMXMJYRSPV-UHFFFAOYSA-N 277.345 3.659 30 20 CHED CC(C)c1ncsc1C(=O)O[C@H](C#N)C1CCCCC1 838054616 OCLCGHFUQFZTLO-GFCCVEGCSA-N 292.404 3.896 30 20 CHED CC(C)(C#N)CCCOC(=O)C[C@]1(C)CC1(Cl)Cl 838156669 GVPPZCXPNNOBOY-GFCCVEGCSA-N 292.206 3.834 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2sccc2C2CC2)C1 839053442 SEXBQRSQDFZGGC-CMPLNLGQSA-N 275.373 3.865 30 20 CHED C=C(C)CCNC(=S)Nc1cc(Cl)ccc1OC 840793704 WTTGPVQLTLRHMN-UHFFFAOYSA-N 284.812 3.601 30 20 CHED C#C[C@H](OC(=O)c1ccnn1C(CC)CC)c1ccccc1 842365816 SUUCOEHFUPAOHH-KRWDZBQOSA-N 296.370 3.776 30 20 CHED CCCn1nccc1/C=C1\C(=O)c2cccc(C)c2[C@@H]1C 853007133 PUPRROVSFQXFBN-YYTPVVGHSA-N 280.371 3.985 30 20 CHED COCc1csc(C=NN[C@H](C)c2ccccc2)c1 853293676 NUKXJCAXKPOIGO-GFCCVEGCSA-N 274.389 3.579 30 20 CHED C=CC[C@H]1CCCCC1=NNc1ccc(CC(=O)O)cc1 853370126 DHRHZZSOZIHFIA-AWEZNQCLSA-N 286.375 3.848 30 20 CHED Cc1[nH]c2ccccc2c1C=NN1CCCC[C@H]1C 853378534 FWSLDOILDIXVBY-GFCCVEGCSA-N 255.365 3.685 30 20 CHED Cc1ccc(C#N)nc1NCC[C@@]1(C)CC1(Cl)Cl 853669390 PGIHFEGWADYIAY-LBPRGKRZSA-N 284.190 3.648 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(Cl)cc32)C1 858582942 VPHBGCJMOLMWBG-DIOULYMOSA-N 274.795 3.999 30 20 CHED C=C[C@H](C)OC(=O)/C=C/c1ccc(SC)s1 860682225 UCNHGSCYEUYLPT-IWGCBNPKSA-N 254.376 3.601 30 20 CHED COc1cc(C=NOCCC(F)(F)F)ccc1Cl 863109035 YHGOYOCLGKNWNC-UHFFFAOYSA-N 281.661 3.652 30 20 CHED CCC(C)(C)c1noc(C[C@H](CC#N)c2ccccc2)n1 867171364 BYMGJFBSYJZQCI-AWEZNQCLSA-N 283.375 3.997 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cccc(O)c1F 872070544 FYQHMULWPSXMFT-NSHDSACASA-N 264.344 3.512 30 20 CHED C#CCCCCCCN1CC2(CCOCC2)[C@H]1C(C)C 877590990 NADJSHCDNPDDDZ-QGZVFWFLSA-N 277.452 3.707 30 20 CHED Cc1cc2oc(=O)cc(CN[C@H](C)CC#N)c2cc1C(C)C 878818110 LDXSMNNOGRPHHP-CYBMUJFWSA-N 298.386 3.617 30 20 CHED C=C1CCC(C(=O)Nc2ccc(C(C)=O)cc2)CC1 887578067 GOCFLOUAPAXPMY-UHFFFAOYSA-N 257.333 3.574 30 20 CHED CCC(CC)c1cc(CNc2cc(C)cc(C#N)n2)on1 892678138 AICVIXYHEMAZAE-UHFFFAOYSA-N 284.363 3.765 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)CCc2ccccc21 899335726 IRQPBTZZAGXUTR-XNTDXEJSSA-N 278.355 3.821 30 20 CHED C/C(Cl)=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 900423009 ZFXPMRSYPNIXMZ-JYRVWZFOSA-N 290.794 3.685 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C(=O)O)c1cc(F)ccc1F 901637691 QCJWKBKXQHMYOO-IAQYHMDHSA-N 297.345 3.815 30 20 CHED C=CCC[C@H](C)N[C@@H](C(=O)O)c1cccc2ccccc12 902564032 UCWGKPXSVBVSFL-SUMWQHHRSA-N 283.371 3.910 30 20 CHED COc1ccccc1C=NOCc1coc(C(C)(C)C)n1 902686732 XDHHHFUWFKITDH-UHFFFAOYSA-N 288.347 3.531 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccncc1)C1CC1)CC2 903428166 MWMZJBZERRGLCJ-RBUKOAKNSA-N 289.382 3.681 30 20 CHED CC(C)c1cccc(NC(=S)N2CCC[C@@H](C#N)C2)c1 905640679 LZPLWZYKVKEXDP-ZDUSSCGKSA-N 287.432 3.742 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C(=O)O)c(Cl)c1 908684519 SRYAAXSFBDRXRD-UHFFFAOYSA-N 281.739 3.579 30 20 CHED COc1cccc(/C=N\CCc2ccc(Cl)s2)c1O 915982783 CCTKIWCVNDZZOS-SXGWCWSVSA-N 295.791 3.777 30 20 CHED CSc1cccc(NC(=O)NCc2ccc(C#N)cc2)c1 916409921 NZTZGFPJSVVIPS-UHFFFAOYSA-N 297.383 3.602 30 20 CHED COc1cc2c(cc1C=NNc1cccc(C)c1)O[C@@H](C)C2 916540392 UPRBELKDPMQSLN-ZDUSSCGKSA-N 296.370 3.773 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)c1ccc(C)s1 920175522 WQUNNLHYWPSGLS-UJFYRASASA-N 275.373 3.951 30 20 CHED Cc1n[nH]c(C)c1/C=C1\Cc2c(Cl)cccc2C1=O 921263392 CNIOGUIYCAVMKQ-UXBLZVDNSA-N 272.735 3.502 30 20 CHED C=C1CN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 930305577 PYKCULJPGWSFBZ-UHFFFAOYSA-N 284.281 3.585 30 20 CHED CC(C)Cc1ccc(C(=O)N2CCC(CC#N)CC2)s1 935318998 YQYLIYFAMLDPEI-UHFFFAOYSA-N 290.432 3.712 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1cccc(C)c1 1116091485 ZIFCSRNIFHRHMJ-UHFFFAOYSA-N 282.391 3.919 30 20 CHED CCCCCCCCOCC(=O)N[C@@H]1C=CCCC1 1116252251 DKFHLKIWQSCDGU-OAHLLOKOSA-N 267.413 3.588 30 20 CHED CC(C)(C)CC=NNc1cncc(Br)c1 1116388347 HYQDHVAZQYVSEM-UHFFFAOYSA-N 270.174 3.678 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CC[C@@H](C)OC)c1cccs1 1123107144 RYWFIXGGBJVPGB-LALPHHSUSA-N 295.404 3.697 30 20 CHED C[C@@H]1CN(CC2(CC#N)CC2)CCc2ccc(Cl)cc21 1171718711 JWBYGQICFHMGLA-CYBMUJFWSA-N 288.822 3.995 30 20 CHED Cc1ccc(N(C)C(=O)Nc2sccc2C#N)c(C)c1 1219354504 KAHHZLWSKXFLQR-UHFFFAOYSA-N 285.372 3.905 30 20 CHED CC#CCCNC(=O)c1ccc(-c2ccccc2)s1 1254754137 LJDHRXQPLZQOMY-UHFFFAOYSA-N 269.369 3.558 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 1262654592 LEEJHWJAUNVUDA-HNNXBMFYSA-N 295.386 3.648 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1C[C@H]2CCC[C@H]2C1 1307230077 KBGDECGPWVVDGE-TXEJJXNPSA-N 297.789 3.996 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(C)CC1 1318944305 DCQWDKPRKXEITR-NSHDSACASA-N 289.404 3.612 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1nc(C)cs1 1319096149 JXJHJNNIJQMBQX-UHFFFAOYSA-N 278.421 3.660 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1c1cccc(OC)c1 1333018878 HOBGNZFGIWTOPW-INIZCTEOSA-N 287.403 3.961 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2sccc2C(C)C)n1 1337770289 GPYMAVVGRZZJHN-UHFFFAOYSA-N 285.372 3.699 30 20 CHED C=C1CCC(C(=O)[C@H](C#N)c2cnc3ccccc3n2)CC1 1348270424 LYOSHGLZZPMUKC-CQSZACIVSA-N 291.354 3.552 30 20 CHED Cc1ccccc1-c1noc(-c2csc(C#N)c2)n1 1353962818 IBULFJIBMUAHAL-UHFFFAOYSA-N 267.313 3.645 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1ncccc1C 1355520129 LUNUNXKSGHCHJN-GJZGRUSLSA-N 287.407 3.591 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@H]1CCC(C)C 1457790488 KSZIGRCGUIFPEG-INIZCTEOSA-N 284.403 3.908 30 20 CHED C[C@H]1CCCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1472641603 XELBJRWYXQGWMV-NSHDSACASA-N 285.778 3.996 30 20 CHED CO[C@@H](CSc1ccccc1C#N)Cc1ccccc1 1472990303 VTMQWSQJQBBXHP-MRXNPFEDSA-N 283.396 3.908 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc(C#N)c(F)cc1F 1477014742 FMSONPKYJVDCPC-ZJUUUORDSA-N 295.333 3.783 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CCOC(C)C)c1cccs1 1515590034 QNPCVYKGQIRUKF-IUODEOHRSA-N 295.404 3.697 30 20 CHED CC[C@@H](CNC(=O)c1cc(C#N)ccc1F)c1ccccc1 1519853070 KWZDWJWGEIJXQC-AWEZNQCLSA-N 296.345 3.621 30 20 CHED CCC[C@H](CC)C(=O)Nc1cc(C#N)ccc1OC(F)F 1528062634 FJDMRGBHDNCLNN-NSHDSACASA-N 296.317 3.924 30 20 CHED CCC1(CNC(=O)[C@@H](CC#N)c2ccccc2)CCCC1 1535358248 PTDKJZQCTCIMNY-INIZCTEOSA-N 284.403 3.770 30 20 CHED C[C@H](Nc1nc(C#N)c(Cl)s1)c1cccc(C#N)c1 1559277935 IIYKOLXNOQLHIE-QMMMGPOBSA-N 288.763 3.713 30 20 CHED Cc1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)ncc1C#N 1585003348 UPSHPUVRFZPYQZ-NUEKZKHPSA-N 297.402 3.807 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)Cc2ccccc2C)c1 1597280646 GAJXHYWEXCEIBF-HNNXBMFYSA-N 292.382 3.992 30 20 CHED Cc1cccnc1NN=C1CCC[C@@H](CCCC(=O)O)C1 1610534954 LTEFWOWFQYFYKC-ZDUSSCGKSA-N 289.379 3.603 30 20 CHED N#Cc1cc(CSCC(=O)c2ccccc2)ccc1F 1614589554 WFHGTWFWZVBFJU-UHFFFAOYSA-N 285.343 3.813 30 20 CHED COc1ccc(NC(=O)C[C@@H](C)CC(C)C)cc1C#N 1624699340 ADSBHFZPNINLAF-LBPRGKRZSA-N 274.364 3.578 30 20 CHED C[C@@H]1CC[C@H](Nc2c(C#N)cccc2C#N)[C@H](C)C1 1642275581 WGKVCYOHGXJCRZ-JMSVASOKSA-N 253.349 3.667 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1Cc1cccc(C#N)c1 1653768442 ZVDARWOARZMKQD-PBHICJAKSA-N 256.393 3.959 30 20 CHED CC[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H]1CC1(C)C 1673777681 XQTIQKKKSLFPKY-MAZHCROVSA-N 299.418 3.743 30 20 CHED CC[C@@H](NN=C(C)c1ccc(-c2ccccc2)cc1)C(=O)O 1776065581 KBGQXQNKYNHJGR-QGZVFWFLSA-N 296.370 3.530 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@H](C)c2cccc(F)c2)C1 1776153521 IJOJFYVTSQLRQR-CXAGYDPISA-N 291.366 3.630 30 20 CHED C=C[C@@H](CC(=O)N[C@@H]1CC=CCC1)c1ccccc1 179502550 ONSUSYKAFNIJSE-GOEBONIOSA-N 255.361 3.571 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccc(Cl)s1 175983306 QKNLAXCFSOSVIZ-TVQRCGJNSA-N 284.812 3.559 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)CC(C)(C)C)n1 177742373 FIVIBWPRNJPMJR-JTQLQIEISA-N 264.394 3.879 30 20 CHED COCCCCCSCc1cc(C#N)ccc1F 116911106 CGNKKLSVGRKLTK-UHFFFAOYSA-N 267.369 3.747 30 20 CHED CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H](C)C(C)C 67703452 OFUNRIWLGUYZDJ-KBPBESRZSA-N 287.407 3.695 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(F)cc1Br 178643155 MBEMCXGLAPHBJV-SNVBAGLBSA-N 299.187 3.933 30 20 CHED C=CCCN(Cc1cccc(C)c1)Cc1ccccn1 177644764 DADSLIUJACHARS-UHFFFAOYSA-N 266.388 3.968 30 20 CHED N#Cc1ccc(N2CCC(Nc3ccc(F)cc3)CC2)cc1 301105338 QBXSQDCFHIDYKD-UHFFFAOYSA-N 295.361 3.778 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccccc1F)C1CCCC1 119383496 QEFSROZJVGASCH-INIZCTEOSA-N 290.382 3.884 30 20 CHED CC(C)(C)c1nnc(S[C@@H](C#N)C2CCCCC2)[nH]1 115187004 LRBFDYKKAUDFBX-NSHDSACASA-N 278.425 3.667 30 20 CHED CCS[C@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 176983316 DAEKEPCLRSQPHO-OLZOCXBDSA-N 280.462 3.774 30 20 CHED C=CCCCN1CCC(c2nc3ccccc3[nH]2)CC1 117881521 UEDCSXHPUWZRJY-UHFFFAOYSA-N 269.392 3.709 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 176008445 MIWLOKPAVGYDGJ-YUSALJHKSA-N 298.169 3.942 30 20 CHED C=CC1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 171825817 UMQMXDKHOHLDFN-KRWDZBQOSA-N 284.403 3.745 30 20 CHED CC[C@H](C)Nc1ccc(C#N)c(Br)c1 228173001 ICHGTZUZHCVBNV-QMMMGPOBSA-N 253.143 3.531 30 20 CHED N#Cc1ccc(CNCc2ccccc2C2CC2)cc1F 404578915 VWFJHTCKDXRVGJ-UHFFFAOYSA-N 280.346 3.865 30 20 CHED CCCc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1 170199466 YYQGNWBPBIZXKR-UHFFFAOYSA-N 294.354 3.528 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 302843971 FKRCWDOUUPMDBJ-UONOGXRCSA-N 297.289 3.574 30 20 CHED COc1cccc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 63751256 SFCIKOCVAKDFFE-UHFFFAOYSA-N 294.398 3.977 30 20 CHED C[C@H](C#N)CN(C)CCCOc1ccc(C(C)(C)C)cc1 64796729 RKRFEKADFMXSDF-OAHLLOKOSA-N 288.435 3.844 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1(C#N)CCCCC1 178656246 IXCJALKPYKUHFP-STQMWFEESA-N 288.416 3.503 30 20 CHED C=CCOCCCC(=O)O[C@H](CC)c1ccccc1 173928146 JCKZFDPZGGBQTA-OAHLLOKOSA-N 262.349 3.664 30 20 CHED Cc1cnc(CSCCOc2ccc(C#N)cc2)s1 179983407 PJCFMCGRTJGVCB-UHFFFAOYSA-N 290.413 3.635 30 20 CHED CCOc1ccc([C@H](C)NCc2cc(C#N)ccc2F)cc1 120206358 UMKKQDLCSUOAQQ-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED C[C@@H]1CC[C@H](CC(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 177731870 VRDYGTRXFSDEKN-FRRDWIJNSA-N 282.343 3.830 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1(C)C 408464544 FEZNOLGVCPZPEN-ZDUSSCGKSA-N 287.407 3.563 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)o1 127110525 NRZNAWGAPHPCPO-JTQLQIEISA-N 279.752 3.784 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)c1c(F)cc(C#N)cc1F 308729127 PTJCLFDBXSJHCB-HWPZZCPQSA-N 292.329 3.535 30 20 CHED C[C@@H](CNc1ccc(F)cc1C#N)Oc1ccc(F)cc1 301431212 FXZQGZFKVLFYTE-NSHDSACASA-N 288.297 3.716 30 20 CHED C=CCCCCCN(C)C(=O)CC1CCSCC1 120009003 BLUZOZOBHUVDNC-UHFFFAOYSA-N 269.454 3.725 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 409918851 NKLWFVUWEPILLP-LLVKDONJSA-N 285.309 3.843 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](CC)CSc1ccccc1 186087233 IWRARJLVLTWSCN-AWEZNQCLSA-N 289.444 3.723 30 20 CHED C=CCC1(C(=O)Nc2cccc(C(=O)CC)c2)CCC1 189596062 LZEZXKGJAZLRRA-UHFFFAOYSA-N 271.360 3.964 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cc(COC(C)(C)C)on1 186818527 IQTONWIOCKCIJT-QWHCGFSZSA-N 280.412 3.680 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1NCCC1CC1 301485412 ZAXVHCOOAATRRX-UHFFFAOYSA-N 271.751 3.972 30 20 CHED N#CCc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 313463559 LNDWXCATHUGXGW-UHFFFAOYSA-N 294.398 3.908 30 20 CHED C[C@@H]1Cc2ccccc2N1Cc1ccc(F)cc1C#N 488047525 ZRGJQHPRCHZUQZ-GFCCVEGCSA-N 266.319 3.649 30 20 CHED Cc1ccc(NC(=O)COc2cc(C#N)ccc2C)cc1C 122959310 PZSNBLNRMRKSOJ-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CCN(CCCc1ccccc1Cl)C[C@H](C)C#N 181649329 HFVDVWKARBZVFJ-CYBMUJFWSA-N 264.800 3.754 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nccn1CC 414299296 KNCYENIHJLDKIN-RDJZCZTQSA-N 283.419 3.741 30 20 CHED CCN(C(=O)NC1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 76548252 DIJAUTOUTKMSMD-AWEZNQCLSA-N 299.418 3.983 30 20 CHED COc1ccc(-c2ccnc(NCC(C)(C)CC#N)n2)cc1 413418039 ZZCPDPYNROAIDO-UHFFFAOYSA-N 296.374 3.504 30 20 CHED Cc1cc(NCc2cnccc2C(C)(C)C)cc(C#N)n1 413518019 QKOSVIOSBSYPFG-UHFFFAOYSA-N 280.375 3.566 30 20 CHED C=CCC[C@@H](NC(=O)N1CC[C@](C)(F)C1)c1ccccc1 501093515 KHVHXFNBQBDFHG-WBVHZDCISA-N 290.382 3.837 30 20 CHED N#Cc1ccc(CN2CCc3c(Cl)cccc32)s1 507714274 OCJJFWUNVPJALD-UHFFFAOYSA-N 274.776 3.836 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc2c1CCC2 189938446 HTRQUUSOBRJDOI-UHFFFAOYSA-N 284.403 3.720 30 20 CHED N#Cc1cnc(N[C@@H]2CCCc3ccccc32)c(F)c1 413025953 SNLGADONTWNNPB-OAHLLOKOSA-N 267.307 3.582 30 20 CHED C#CCCCCC(=O)Nc1cc(C2CCCCC2)nn1C 120288158 ANDXGVRTHILGTI-UHFFFAOYSA-N 287.407 3.600 30 20 CHED C[C@@H](C#N)N(C)C(=O)CC1(CCc2ccccc2)CCCC1 410883523 NROAQKFAYCEOBO-INIZCTEOSA-N 298.430 3.940 30 20 CHED C=C(C)CCc1noc([C@@H](C)OCCC(C)C)n1 508622484 XXCZGIQYRNFIRO-GFCCVEGCSA-N 252.358 3.702 30 20 CHED CSc1ccc(OCc2ccc(C#N)cc2)cc1 70159977 PBQVDQSYHHOOSC-UHFFFAOYSA-N 255.342 3.859 30 20 CHED C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F 185764626 GDCCPFGAONQANF-MDZLAQPJSA-N 264.319 3.698 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H]1CCC2(CCCCC2)O1 506435261 YVSFVMCPWNEAQR-CQSZACIVSA-N 279.424 3.587 30 20 CHED N#Cc1cc(NC(=O)C2CCCC2)ccc1OC(F)(F)F 508214567 DXCISLCQAVYHKZ-UHFFFAOYSA-N 298.264 3.586 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C)s2)c1 71794982 AFRMPYYAQXBHDX-BQYQJAHWSA-N 258.342 3.961 30 20 CHED C=CCC1(c2nc([C@H](N)CC(C)C)no2)CCCCC1 414628522 SIBDHMVABOGAEZ-CYBMUJFWSA-N 277.412 3.894 30 20 CHED COc1cccc(C2(F)CCN([C@@H](C)CCC#N)CC2)c1 411674476 UXXUVANBSLUXNV-AWEZNQCLSA-N 290.382 3.648 30 20 CHED C=CCCC(=O)O[C@H](C)c1nc2cc(Cl)ccc2[nH]1 73533724 YDKYQFDWVHOXHD-SECBINFHSA-N 278.739 3.787 30 20 CHED CC(C)CC(CC(C)C)NC(=O)c1cccc(CC#N)c1 504649290 DTIKQYGTKDYJHR-UHFFFAOYSA-N 286.419 3.943 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ncc(C)s1 414539194 RTRAWXUGXGRIAI-HNNXBMFYSA-N 272.417 3.729 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3c(OC)cccc32)CCC1 189356227 XIIKFBFJLFEANY-OAHLLOKOSA-N 285.387 3.545 30 20 CHED C=CCOCCSCc1csc(CCCC)n1 419390948 GWHUTRLTZPBASI-UHFFFAOYSA-N 271.451 3.922 30 20 CHED Cc1csc(CCCCN[C@@H](C)c2cccc(C#N)c2)n1 181666059 QBXGQDKBGONOBG-AWEZNQCLSA-N 299.443 3.997 30 20 CHED Cc1ccccc1C[C@H](C)NC(=O)Nc1cccc(C#N)c1 47338305 DLKXGAVKMODLQM-AWEZNQCLSA-N 293.370 3.619 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1cccc(C#N)c1 137232813 RNJHUCZXLCOFAQ-RHSMWYFYSA-N 299.418 3.668 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Cl)c(Cl)nc1C 288601068 TXHKSBAONGBFGF-UHFFFAOYSA-N 287.190 3.735 30 20 CHED N#CCCCNC(=O)c1sc2cc(F)ccc2c1Cl 612063457 ROKAQDGMIJVFAV-UHFFFAOYSA-N 296.754 3.727 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)[C@@H](C)CN(C)[C@H]2C 416392393 SGVZJWHENSMCOY-JQWIXIFHSA-N 265.360 3.525 30 20 CHED CC1(C/N=C(/O)Nc2scnc2C2CC2)CCCC1 328906890 BTJRRRIUKPGALL-UHFFFAOYSA-N 279.409 3.927 30 20 CHED N#CCCSCc1nnc(-c2cccc(Cl)c2)o1 413011908 KFIYQFQLIHBRBX-UHFFFAOYSA-N 279.752 3.537 30 20 CHED Cc1nc2cc(N=C(O)[C@H]3CCC(=O)[C@@H](C)C3)ccc2o1 328910706 FUAQLKUCJWMMEJ-ONGXEEELSA-N 286.331 3.730 30 20 CHED C=C(CNC(=O)N[C@@H]1CCC12CCCC2)c1ccccc1 502914010 UQLKZRUXGDYKEW-MRXNPFEDSA-N 284.403 3.722 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)c1ccc(Cl)cc1 84070101 PORCMJUBCUDSOM-VIFPVBQESA-N 290.775 3.764 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](CCC)CC(C)C 410833357 GNKIDGAXFQLIQA-KGLIPLIRSA-N 252.402 3.599 30 20 CHED C#Cc1cccc(NC(=O)CCCc2cccs2)c1 41636833 DMAZFJWFLJMKND-UHFFFAOYSA-N 269.369 3.691 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](CCC)c1ccccn1 503937414 RMXBINLFBMWATH-GJZGRUSLSA-N 274.408 3.826 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(F)c2)s1 134510265 PWVICRHLFBCCCY-GQCTYLIASA-N 257.289 3.655 30 20 CHED COCC1(NC(O)=Nc2cccc3ccsc23)CCC1 328973006 PEHDDHZGLDXEKC-UHFFFAOYSA-N 290.388 3.606 30 20 CHED CCc1nc(CN(Cc2ccc(C#N)cc2)C2CC2)cs1 194960733 YGDZOEBOXOWVLY-UHFFFAOYSA-N 297.427 3.742 30 20 CHED CC1CCC(C/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CC1 329869238 YMNIXLIQOKUEMH-PIMMBPRGSA-N 288.391 3.789 30 20 CHED C=C1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 341990478 CPPQTLJUXOOJCS-UHFFFAOYSA-N 289.766 3.542 30 20 CHED CC(C)n1nccc1CN(C)[C@H](C)c1cccc(C#N)c1 425368376 WKPBBRBHNMQCLB-CQSZACIVSA-N 282.391 3.529 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 192093197 GHRAOEUEHLZQAI-KRWDZBQOSA-N 285.387 3.552 30 20 CHED C[C@H](CCC(=O)NCc1cccc(C#N)c1)c1ccccc1 137165285 UFCBLMXPFNSATQ-OAHLLOKOSA-N 292.382 3.758 30 20 CHED C=CCCCCCN(C)C(=O)C(F)(F)c1ncccc1C 192589497 BLHBKJCAHBMIBH-UHFFFAOYSA-N 296.361 3.687 30 20 CHED C[C@@H]1/C(=C\c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 220271138 IKMYTOYHMCWWIT-KBVGCWLLSA-N 279.295 3.978 30 20 CHED C[C@H](C/C(O)=N/[C@H]1CCc2nc[nH]c2C1)C1CCCCC1 329631212 VUWBIPJBRSWJBE-OCCSQVGLSA-N 289.423 3.830 30 20 CHED CCO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 193522501 IDOSBSNFUCSNAF-BEFAXECRSA-N 294.398 3.987 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(C2CCC2)cs1 424803380 CMDQHAVSQKAFSJ-UHFFFAOYSA-N 264.394 3.951 30 20 CHED CC[C@H](C)[C@@H](C(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 42449289 AWYBYQQIPSEDNH-YQQAZPJKSA-N 286.419 3.824 30 20 CHED N#Cc1ccc(N2CCC[C@@H](CC(F)(F)F)C2)c(F)c1 420641176 ZCZHXWGRDSJNTD-NSHDSACASA-N 286.272 3.866 30 20 CHED CN(Cc1ccon1)/C(O)=N/[C@H]1CCCCC12CCCC2 329625065 OJHZYIDOPCUBAJ-AWEZNQCLSA-N 291.395 3.523 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccc(Cl)cc2)cc1 49904437 GZDWLFXDPOTLQE-INIZCTEOSA-N 298.773 3.897 30 20 CHED CN(Cc1cccc(F)c1C#N)c1c(F)cccc1F 428364151 OKAZBBJEKLEUGD-UHFFFAOYSA-N 276.261 3.612 30 20 CHED Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1Br 381561849 RNRCJRFPMOXSMN-ZYHUDNBSSA-N 279.181 3.862 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)o1)[C@@H](C)CCC 429816853 INGDCSNNDRMEIZ-ZDUSSCGKSA-N 276.380 3.972 30 20 CHED C#CCCCNC[C@H](C)c1cccc(Br)c1 179425855 DJYNIHSIEXWMBU-LBPRGKRZSA-N 280.209 3.556 30 20 CHED CC1(CC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 337799110 XXDQYBWISDUWNZ-UHFFFAOYSA-N 298.264 3.586 30 20 CHED CC(C)[C@@H]1C[C@H]1CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425589700 QSJMQCMCRADIBA-JQFCIGGWSA-N 299.418 3.553 30 20 CHED C=CCOCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 511890288 DNMMVXAOKWCTNZ-GUDVDZBRSA-N 285.431 3.847 30 20 CHED CCc1ccc2occ(C(=O)N3CCC(CC#N)CC3)c2c1 334319761 UVBLOCQTWUVPCB-UHFFFAOYSA-N 296.370 3.761 30 20 CHED C=CC[C@@H](C)[C@H](C)NC1CCC(OC(C)C)CC1 90771939 WPEXZQLOIZFZMU-QVOMUQBLSA-N 253.430 3.913 30 20 CHED CC[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccc(C)cc1 331086622 DHVUVICFTRYTQB-DJIMGWMZSA-N 284.403 3.687 30 20 CHED CCc1nnc(C)cc1/C(O)=N/[C@@H]1CCCC[C@H]1CC 330815864 MSBSGIZVJVOABV-IUODEOHRSA-N 275.396 3.621 30 20 CHED Cc1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(C)o1 335086995 RJXZQQBJLKRFQO-GFCCVEGCSA-N 282.343 3.601 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 335277680 SJFMBOGZOKTSKK-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED CC(C)(C)c1csc(NC(=O)c2ccccn2)c1C#N 334831426 YLTUXQNXOMSFIY-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1 335482150 ZQTLUPPXSOHOFU-YJYMSZOUSA-N 291.398 3.869 30 20 CHED Cc1cccc(C(=O)N(C2CC2)C2(C#N)CCC2)c1Cl 336600168 LYXZWQVMJJRYJO-UHFFFAOYSA-N 288.778 3.699 30 20 CHED Cc1ccc(C)c(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 336425303 ZDNFMLYAYPUHHL-UHFFFAOYSA-N 290.366 3.845 30 20 CHED C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nccc3ccccc23)[C@H]1C1CC1 529000988 USFIKFBAYLDCIL-UQCMEYCASA-N 290.366 3.703 30 20 CHED C#CCCOc1ccc(CNc2cnn(C(C)(C)C)c2)cc1 90194986 CDIDXKQKBKUBKD-UHFFFAOYSA-N 297.402 3.652 30 20 CHED CC(C)C[C@@H]1CCCN1c1snc(Cl)c1C#N 92629977 JQQFFRCHYVNOHX-VIFPVBQESA-N 269.801 3.683 30 20 CHED C=CCCN(C)[C@@H]1C[C@H](OCC)C12CCCCC2 525123849 DNZYRUKZZZMGHE-CABCVRRESA-N 251.414 3.622 30 20 CHED CCC(CC)(CC)S(=O)(=O)Cc1ccc(CC#N)cc1 431584686 WRESBSCUENYBOR-UHFFFAOYSA-N 293.432 3.636 30 20 CHED CCn1c(-c2cc(C)c(O)c(C)c2)nc2cc(C#N)ccc21 436736912 HVFBVXNTVBNJDR-UHFFFAOYSA-N 291.354 3.917 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C)c(F)c1 344363432 ANJCRMJIUJOREO-QGZVFWFLSA-N 296.345 3.887 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@@H]2CCC[C@H](C)C2)no1 346254607 PBLMOBGVQLQGAH-CRWXNKLISA-N 276.380 3.812 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CCC(C(F)(F)F)CC1 436304354 DIWNRBIDYIBTAH-ABXWRUBCSA-N 291.357 3.678 30 20 CHED C[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)c1nccs1 249280059 NGKNKJAEMMRMRV-QWHCGFSZSA-N 285.416 3.811 30 20 CHED N#Cc1ccc(OCc2csc(-c3ccoc3)n2)cc1 341729046 LVKCHXRZHNCHNN-UHFFFAOYSA-N 282.324 3.854 30 20 CHED C[C@H](CSc1ccccc1)N(C)Cc1cccc(C#N)n1 602698210 FKLXJIKCOIUVBN-CQSZACIVSA-N 297.427 3.566 30 20 CHED O=C(/C=C\c1ccc(Br)s1)c1ccncc1 255516154 SJYMQCGWKLITEM-IWQZZHSRSA-N 294.173 3.802 30 20 CHED Oc1ccccc1/C=N\C[C@@H]1CCCO[C@H]1c1ccccc1 255424234 SFJMXLSMSYHVHD-MSKPBERXSA-N 295.382 3.979 30 20 CHED CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@H](C)C#N 600218035 AWXWFGZFCWVKQL-LLVKDONJSA-N 296.773 3.623 30 20 CHED C=C1CCN(Cc2ccc(OC)c(Cl)c2)CC1 343670895 WLBZAGPASLLTFE-UHFFFAOYSA-N 251.757 3.501 30 20 CHED COc1ccc(C)cc1CSc1cc(C#N)ccn1 603726921 MBGHDIDUJJCDKH-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CCCCN(C(=O)c1ccc(CC#N)cc1)c1cccnc1 602380425 TZFAXNJQTMJXLF-UHFFFAOYSA-N 293.370 3.595 30 20 CHED C[C@H](CCC#N)CN[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 602536636 VSRLOBGPTOJDSP-COXVUDFISA-N 290.382 3.575 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)c1ccc(F)cn1 343351066 DCPNVVHMYGTCNG-UHFFFAOYSA-N 288.370 3.581 30 20 CHED N#Cc1cccc(NC(=O)c2cnc(-c3ccco3)s2)c1 349012098 WRDCZAMVSIMKAA-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1cc(C)cc(OCCN(CCC#N)CC(C)(C)C)c1 609487624 ZPEZXFFVSRYBOI-UHFFFAOYSA-N 288.435 3.944 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 448723502 IBBXJSSAAQSDMM-HYVNUMGLSA-N 284.403 3.578 30 20 CHED C[C@H](CCC#N)CN1CC[C@H](c2ccccc2)[C@H]1C 602476474 OMTKQDSEMKMVHS-INMHGKMJSA-N 256.393 3.804 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1cc(C#N)[nH]c1C)C(C)C 448971069 SCCHGONHWXHJAE-KRWDZBQOSA-N 295.386 3.630 30 20 CHED CO[C@]1(C)CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 359740620 VAXXSGLVQYJVPT-CQSZACIVSA-N 298.308 3.582 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cccc(Cl)c1Cl 608880136 XMQSKGNOHLWKJR-VIFPVBQESA-N 285.174 3.661 30 20 CHED C=CCN(C(=O)N[C@@H]1CC(C)(C)c2ccccc21)C1CC1 539040273 VLRBZLWAMWWENL-MRXNPFEDSA-N 284.403 3.769 30 20 CHED C[C@]1(CN[C@H]2CC[C@@H](C#N)C2)CCCc2ccccc21 442826998 PDEVMNOQSLLGHA-UWWQBHOKSA-N 268.404 3.562 30 20 CHED COc1ccccc1Oc1ccc(C(F)(F)F)c(C#N)n1 443407568 QCSSMUYPZSIYPI-UHFFFAOYSA-N 294.232 3.773 30 20 CHED N#CCCCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 359988964 ZKZYNBKEWOPHOS-SFHVURJKSA-N 296.345 3.725 30 20 CHED N#Cc1cnc2c(F)ccc(F)c2c1N1CC[C@@H](C2CC2)C1 611204719 VWVAFCXXWJRQHU-LLVKDONJSA-N 299.324 3.621 30 20 CHED Cc1ccc(C)c(CC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 610359770 NWOZWXKRHYCRHV-HNNXBMFYSA-N 292.382 3.595 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C)c3cn[nH]c23)CC1 355374023 BJCGVHXNQGOHEU-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2c(F)cc(F)cc2C1 442684819 VWXMAUSNGLZTSX-LBPRGKRZSA-N 298.336 3.956 30 20 CHED N#CCc1ccnc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 535908555 ADRVPLGPIWXWJV-BZUAXINKSA-N 297.402 3.693 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ncoc2C2CC2)n1 356189387 MQJQBHYIYRTEDG-UHFFFAOYSA-N 285.372 3.728 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)O[C@@H](CC)C2)CCCCC1 448957305 RVQUSQOTMNIREZ-GJZGRUSLSA-N 279.424 3.539 30 20 CHED C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1cccc(Cl)c1 612236829 OXEOCIXTYJZUQG-BLLLJJGKSA-N 290.794 3.596 30 20 CHED CC(C)CCNc1c(C#N)cnc2c(F)cc(F)cc12 352301372 IKIABOLVKGBNRR-UHFFFAOYSA-N 275.302 3.843 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 455317768 XONNUMCRSMWMTC-HNNXBMFYSA-N 274.408 3.972 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 451382199 HJIRDAYVQJLCLA-QWHCGFSZSA-N 275.367 3.790 30 20 CHED C=CCCC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 264908986 ZANNAGFRJGYKKT-UHFFFAOYSA-N 288.391 3.884 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3ccc(OC)cc32)C1 617780522 WQQKNDGEKBMCHK-RHSMWYFYSA-N 299.414 3.540 30 20 CHED C=CCOc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 610344621 AWGLZKFLAQMBGM-HNNXBMFYSA-N 292.382 3.974 30 20 CHED C=CCSc1ccccc1C(=O)N(C)CC(F)(F)F 362531436 DHUZNRUJOCTUEB-UHFFFAOYSA-N 289.322 3.599 30 20 CHED C=CCC1(C(=O)NCc2oc(CC)nc2C)CCCCC1 452156960 DZBAMBPOVHPUKB-UHFFFAOYSA-N 290.407 3.688 30 20 CHED CC1(C)CN(C(=O)c2cc(C#N)cs2)Cc2ccccc21 270618313 GRYMYWXIQBQQLP-UHFFFAOYSA-N 296.395 3.553 30 20 CHED C#CCCCCC(=O)N(CC)c1ccc2[nH]ccc2c1 276669477 OURUSLNYWQBHCS-UHFFFAOYSA-N 268.360 3.714 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)c1ccco1 610171634 ZEUFNHBYGBXOBG-AWEZNQCLSA-N 296.370 3.692 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)cc1OC 540532266 NUWWYFKMGOGIKQ-NSHDSACASA-N 281.783 3.823 30 20 CHED Cc1cc(CN2CCC[C@@](C)(C#N)C2)cc2cccnc12 612405600 AYBLNUALMBECAS-SFHVURJKSA-N 279.387 3.669 30 20 CHED CCCc1cccc(CN2CCC(CC#N)CC2)c1 548176437 LCKQNWACWJTLAV-UHFFFAOYSA-N 256.393 3.765 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 279892411 FDEOOEFYCGHLHG-DOTOQJQBSA-N 287.378 3.772 30 20 CHED Cc1cccc(NC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 278636584 OQCGROQJVMKHDO-CRAIPNDOSA-N 283.419 3.564 30 20 CHED C=C(CC)CNC(=O)CCc1ccc(-c2ccccc2)o1 456830213 QLVSROZYLUILCJ-UHFFFAOYSA-N 283.371 3.962 30 20 CHED C=CCc1cc(CN[C@@]2(C)CC=CCC2)cc(OC)c1O 459773143 UMQCNTHTSYDNIO-SFHVURJKSA-N 287.403 3.718 30 20 CHED C=CCSc1ccccc1C(=O)N(C)c1ccccn1 362531920 GNUGGWHRJSMJTL-UHFFFAOYSA-N 284.384 3.636 30 20 CHED C=CCCCC(=O)N1CC(CC)(c2ccccc2)C1 458217710 PGVPGVYPEURBJE-UHFFFAOYSA-N 257.377 3.533 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc(OC(F)(F)F)cc1 450670621 SYNKCEWSIOPSLU-NSHDSACASA-N 298.308 3.930 30 20 CHED C=CCCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 456714996 XHKSTDWSJPYFSF-HNNXBMFYSA-N 283.375 3.583 30 20 CHED Cc1cc(N[C@@H]2CCCCc3ccccc32)nn1CCC#N 271052459 WZLDVQQOQHPZEG-QGZVFWFLSA-N 294.402 3.985 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H]1CSc2ccccc21 452213178 GBGLGMGEUBJPFY-LBPRGKRZSA-N 275.417 3.594 30 20 CHED CC[C@@H](NC[C@H](C)c1nccs1)c1ccc(C#N)cc1 278890194 YOHHQXYPLNLEDW-SWLSCSKDSA-N 285.416 3.859 30 20 CHED Cc1[nH]ccc1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452681732 MMWSZPLFBYWHEH-UHFFFAOYSA-N 297.358 3.624 30 20 CHED C[C@@H](CCCc1cccnc1)NCC(C)(C)CCC#N 453220136 JOTCMRQLTHPPNH-HNNXBMFYSA-N 273.424 3.712 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cccc(CC#N)c1 455923476 TZERQFIBHGRJNX-UHFFFAOYSA-N 285.391 3.963 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2C[C@H](OC(C)C)C2(C)C)n1 361622389 PWGNERPVAGEJFW-CABCVRRESA-N 287.407 3.574 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)C2CCOCC2)C1 365238682 VMSUXCRGASRBQE-LZQZEXGQSA-N 298.430 3.826 30 20 CHED C=C(C)CCNC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 452716839 JFRCZMDNPIPCHG-GFCCVEGCSA-N 293.794 3.631 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2ccccc2CC1 540566625 NCYUPTBVETYWQL-OAHLLOKOSA-N 286.419 3.542 30 20 CHED Cc1cc(C)cc([C@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 271759229 AKWOPQRSWYDFHD-HNAYVOBHSA-N 294.398 3.559 30 20 CHED CCC[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 544674969 QYMLZSOIVACBPZ-RHSMWYFYSA-N 299.418 3.983 30 20 CHED C=CCCOCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 620185177 KOQGQANWWJFOTD-HNNXBMFYSA-N 293.794 3.596 30 20 CHED CCC[C@@H](C#N)NC(=O)C(C)(C)c1cccc(Cl)c1F 547864764 ORDYQKXLXOKYIZ-JTQLQIEISA-N 296.773 3.565 30 20 CHED C=C(C)CCN[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 379657606 TZZRMCMIMCANCQ-WMZOPIPTSA-N 272.436 3.595 30 20 CHED Cc1cc(C#N)cc(N2CCS[C@@H](c3ccccc3)C2)n1 376407595 MUGXJEAACZELBL-MRXNPFEDSA-N 295.411 3.556 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1nc(C(C)(C)C)cs1 468642856 UTAZDFGSKSLYIQ-OAHLLOKOSA-N 296.436 3.608 30 20 CHED C=CCC(CC=C)c1nc(Cc2ccccc2OC)no1 546256868 HMVGFFLVBJHTLL-UHFFFAOYSA-N 284.359 3.905 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCC[C@H](C)C1 466315998 CJBJIZJIQBSOKM-MELADBBJSA-N 252.402 3.561 30 20 CHED N#CCC[C@H](NC(=O)N1CCC[C@@H]1C1CC1)c1ccccc1 372180503 NKRYRFBJQMQKQD-DLBZAZTESA-N 297.402 3.615 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCOc2ccccc2[C@H]1C 622988483 HVNISQFEIWBAIO-CYBMUJFWSA-N 273.376 3.571 30 20 CHED C=CCn1c(SCC2(C)CCC2)nnc1C1CC1 283186570 XIMZVQVWMMFFRC-UHFFFAOYSA-N 263.410 3.624 30 20 CHED C=CCC[C@@H](NCc1ccn(C(C)C)n1)c1ccco1 557704336 LGOTYULISSCIQX-OAHLLOKOSA-N 273.380 3.854 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCc2c(cccc2C(C)C)C1 286501470 NMODISQAZJKQHY-SFHVURJKSA-N 284.403 3.635 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cccc(F)c1F 280968854 ZWXKGOLZUPFKTG-OZVIIMIRSA-N 281.346 3.597 30 20 CHED C[C@@H](CCC1CC1)NC(=O)Nc1ccc(C#N)cc1Cl 469685163 MSGXQFOMCWBRAI-JTQLQIEISA-N 291.782 3.912 30 20 CHED CCCC(O)(CCC)CNc1nc(C)c(C#N)cc1Cl 461961670 YNPQSSNWYJFQAF-UHFFFAOYSA-N 295.814 3.658 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 286077897 JMKDZBWLROVJDF-IPMKNSEASA-N 295.426 3.975 30 20 CHED C=CCCC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 288417475 NPVYMMMJKJOOSM-ZBFHGGJFSA-N 257.377 3.952 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCCC[C@H](C)C1 460944276 QIWLNOVACSBZNT-AWEZNQCLSA-N 276.428 3.604 30 20 CHED C=C[C@H](C)NC(=O)CSc1cc(Cl)ccc1Cl 465108741 LRZQUVUEMMINJD-QMMMGPOBSA-N 290.215 3.776 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(CC)s1 280795781 KACKKGORAUZJTF-WWGRRREGSA-N 279.449 3.942 30 20 CHED CCCOc1cc(C)ccc1NC(=O)c1cc(C#N)oc1C 280634816 UFDMSUIEBQSNJB-UHFFFAOYSA-N 298.342 3.809 30 20 CHED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(F)F 297771798 HHYKJMZLUVPTOM-QMMMGPOBSA-N 298.358 3.728 30 20 CHED N#Cc1cccc(CNC[C@@H](c2ccccc2)C2CC2)c1 552059575 LDYMZFBDNAEWIT-IBGZPJMESA-N 276.383 3.842 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ccc(S(C)(=O)=O)cc1 807963397 UDDVBEHIHLHESX-GFCCVEGCSA-N 296.436 3.704 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C)c(OC)cc1Cl 295245643 FEPOIDANZNAXOP-UHFFFAOYSA-N 267.756 3.808 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c(F)c1 560556143 IPOUTYANCBQWGQ-JCNLHEQBSA-N 298.336 3.872 30 20 CHED CC1CC(C#N)(C(=O)N2C[C@@H](C(C)C)c3ccccc32)C1 562488165 GEOJDNYEOZNMBY-DBQDNQAGSA-N 282.387 3.713 30 20 CHED N#Cc1ccc(Nc2nc(-c3ccccn3)cs2)cc1 562415710 CVEDAJBUQZYWCR-UHFFFAOYSA-N 278.340 3.820 30 20 CHED C=C(C)COc1cccc(NC(=O)NCCC(C)(F)F)c1 296436828 JFYRZOLAOSPVLI-UHFFFAOYSA-N 298.333 3.808 30 20 CHED Cc1cccc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)c1 806560228 JTVAPSQSXGPTFJ-OOXMNIKJSA-N 292.334 3.833 30 20 CHED N#Cc1ccc(C(=O)Oc2cc(F)ccc2Cl)s1 801040504 IWQBIKRDMFOCEU-UHFFFAOYSA-N 281.695 3.631 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2nc(CC)sc2c1 646515838 ZEZHXJVSJZOFIR-VIFPVBQESA-N 275.377 3.555 30 20 CHED C=C(Cl)CNC(=O)Nc1csc(-c2ccccc2)n1 806733070 PPXCKMPNPPAMNZ-UHFFFAOYSA-N 293.779 3.684 30 20 CHED Cc1ncsc1CON=Cc1ccccc1OC(F)F 809990866 KVJGPBJDQOTBEC-UHFFFAOYSA-N 298.314 3.604 30 20 CHED CC[C@@H](NCc1ccc(C#N)cn1)c1ccc(Cl)s1 562035528 BECYKGZDOJWGJM-GFCCVEGCSA-N 291.807 3.909 30 20 CHED N#CCc1ccc(CNc2ccccc2OC(F)F)cc1 398946346 BAGUTFLSNHRBQG-UHFFFAOYSA-N 288.297 3.966 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)CCCc1ccccc1)C(C)(C)C 807882768 ZXKPFHIQFJFZCN-RDJZCZTQSA-N 285.431 3.810 30 20 CHED N#Cc1ccc(N2CCC(Nc3cccc(F)c3)CC2)cc1 566862334 BIDDIPIYLFFOAE-UHFFFAOYSA-N 295.361 3.778 30 20 CHED CCCN(CCO[C@H](C)C#N)[C@@H](CC)c1ccccc1 801913208 ABTITOILZGGVJD-WBVHZDCISA-N 274.408 3.778 30 20 CHED CCc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1CC 489515954 SELQWVMRVYIMDO-UHFFFAOYSA-N 294.354 3.641 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N[C@@H](C#N)C(C)C 489812870 UCSFHNFPTLEQQU-LZWOXQAQSA-N 284.403 3.640 30 20 CHED CCCC(=NOCc1cccnc1)c1ccc(OC)cc1 814884048 MHKWUZHQQMONIV-UHFFFAOYSA-N 284.359 3.811 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2ccc3[nH]ncc3c2)CS1 814900295 MEFFEQIVGLDQJK-CQSZACIVSA-N 288.420 3.882 30 20 CHED Cc1ccc([C@@]2(C)CCN(c3cc(C)nc(C#N)c3)C2)cc1 561325707 RGYXAIBYRVKTIN-IBGZPJMESA-N 291.398 3.738 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(C2CC2)C2(C#N)CCC2)c1 560113829 LUNUQNGTEILWAJ-CQSZACIVSA-N 282.387 3.536 30 20 CHED c1cnc2c(CNN=C3CC[C@@H]3C3CCC3)cccc2c1 814803263 BTZRSEJUXXHVNP-MRXNPFEDSA-N 279.387 3.891 30 20 CHED COCCC(C)=NNc1ccccc1C(F)(F)F 814689206 WXEASZGDZFPNFM-UHFFFAOYSA-N 260.259 3.530 30 20 CHED C=CCCC(CCC)=NN[C@@H]1CCOC(C)(C)C1 814909536 ZINBGIUSWZCQHY-CQSZACIVSA-N 252.402 3.656 30 20 CHED C=CCCCCOC(=O)C(C)(C)c1cc(F)cc(C#N)c1 811010179 MJSSWXRXAHJQKD-UHFFFAOYSA-N 289.350 3.874 30 20 CHED Cc1cc(C)nc(NN=Cc2csc3ccccc23)n1 812369485 MCGHKKHAYPJRMG-UHFFFAOYSA-N 282.372 3.754 30 20 CHED Clc1ccnc(NN=Cc2nc3c(s2)CCCC3)c1 814898320 OHKUTTOLAJCLDY-UHFFFAOYSA-N 292.795 3.516 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@H](F)C2)CCCC1 578014262 GWLJYLGLTSZUNJ-STQMWFEESA-N 253.361 3.520 30 20 CHED CC(C)c1ccc(C(=O)OCc2ccc(F)c(C#N)c2)nc1 811260757 JLVMPDMSUDKYNW-UHFFFAOYSA-N 298.317 3.573 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 483427211 QULKOLQMNLNEST-AEFFLSMTSA-N 298.430 3.891 30 20 CHED C=CCC(F)(F)C(=O)N(C)CCC1CCCCC1 815231137 ULEXQIFFQGRZBH-UHFFFAOYSA-N 259.340 3.627 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(Cl)cc1OC)OCC 817483663 SZGDKYROUKQZJG-CYBMUJFWSA-N 298.766 3.625 30 20 CHED C#C[C@@H](Nc1snc(C)c1C#N)c1ccc(Cl)cc1 811862668 KJQFHOYOACDASI-CYBMUJFWSA-N 287.775 3.763 30 20 CHED Brc1cncc(NN=C2CC[C@H]2C2CCC2)c1 814886551 DWGVCPZVIKVJSV-LBPRGKRZSA-N 294.196 3.822 30 20 CHED C=CCCn1cc(CN(CC)[C@H](CC)c2ccccc2)nn1 653515232 QGEATMYJUNGQMR-GOSISDBHSA-N 298.434 3.827 30 20 CHED CCCCCOc1ccc(Oc2ncncc2C#N)cc1 572514961 FUUJETKELSSVEF-UHFFFAOYSA-N 283.331 3.710 30 20 CHED C[C@H](OC(=O)CCCC#N)c1nc2ccc(Cl)cc2[nH]1 813068029 UBBKBDILWDGCJZ-VIFPVBQESA-N 291.738 3.514 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(F)c(Cl)c1 814705120 WKPAJHCTSXJRDF-UHFFFAOYSA-N 263.646 3.629 30 20 CHED C[C@H](O)c1cc(NCc2cccc(C#N)c2F)ccc1F 814238525 TZGCKPFWRFLUFB-JTQLQIEISA-N 288.297 3.502 30 20 CHED C=CCCN(OCc1ccccc1)c1ccc(C#N)c(C)n1 813602822 UOYJDNBVMOFVJA-UHFFFAOYSA-N 293.370 3.776 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCO[C@@H](C2CC2)C1 657980938 UDNZBXQTKIIIHY-MXASKKJJSA-N 263.425 3.669 30 20 CHED CC#CCN(C)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 574599689 NXDGTMGRCLDIPS-LBPRGKRZSA-N 297.320 3.681 30 20 CHED Cc1cccc(NC(=O)CSCC2(C#N)CCC2)c1C 578174525 UPMKQPJQDCFGAB-UHFFFAOYSA-N 288.416 3.669 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)c2cccs2)c1 726441703 QJNBLRVHXSNDNN-LLVKDONJSA-N 286.425 3.777 30 20 CHED C#C[C@H](NC(=O)NCCC=C(C)C)c1ccc(Cl)cc1 811908478 JOJRBQYLWWAWEK-HNNXBMFYSA-N 290.794 3.670 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1c(C)cccc1F 488552965 WCPLMHCJEDNNCM-LBPRGKRZSA-N 262.328 3.707 30 20 CHED C[C@H]1CCC[C@H](NC2(c3cccc(C#N)c3)CC2)C1 572894918 PCZXBBNENSUDEI-BBRMVZONSA-N 254.377 3.716 30 20 CHED C[C@@H]1CCC[C@@H]1NC(=S)Nc1ccc(C#N)c(Cl)c1 729648740 SLAHREQCGRVDAR-RNCFNFMXSA-N 293.823 3.687 30 20 CHED CC[C@H](Cc1ccccc1)/N=C/c1cccc(O)c1O 727781867 ZBVGMHVLCCRUGY-GYZOOYGHSA-N 269.344 3.538 30 20 CHED C=CCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 657582975 QITYZCYLCLTJBK-HNNXBMFYSA-N 295.810 3.564 30 20 CHED C=CCCCCCN[C@H](CO)c1cccc(Cl)c1F 499936512 ACBJZIGDIISARB-CQSZACIVSA-N 285.790 3.849 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Cc1ccc(OCC)cc1 665542291 YZYHISYLNLIXAG-AWEZNQCLSA-N 289.419 3.592 30 20 CHED N#CC1(CC(=O)N2CCCCCCC2)CCCCC1 820200963 UCGZGSFPBBAPOV-UHFFFAOYSA-N 262.397 3.643 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H](C)CCC 490200176 XAEBOUHIDDAXGS-AWEZNQCLSA-N 263.381 3.663 30 20 CHED C=C(C)CCNC(=O)Nc1nc(C(C)C)c(C)s1 667363857 PGTLEXJSQLGQRS-UHFFFAOYSA-N 267.398 3.663 30 20 CHED CC/C=C(/C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 729891036 WDXASRJYTGDVFV-NFEOESJKSA-N 264.328 3.767 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(C#N)c1 589326753 ANEJICFMGBJMFR-NSHDSACASA-N 277.343 3.740 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H](C)CCc2ccco2)cc1 728713273 WSQKVEWPROUXLO-CABCVRRESA-N 298.386 3.681 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cncn2C(C)C)cc1 901427614 MOYDLJFESLSKPJ-YFHOEESVSA-N 284.359 3.759 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)CCC1(C)CC1 906081353 JMRFTIQYSDUJDQ-UHFFFAOYSA-N 274.339 3.571 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccccc2OC(F)F)c1 588476160 CGYZYLKVTWBLAD-SREVYHEPSA-N 289.281 3.888 30 20 CHED CC(C)SCCSc1cccc(F)c1C#N 821043328 FRPAQYHBSVGMER-UHFFFAOYSA-N 255.383 3.931 30 20 CHED Cn1ncc(C2CC2)c1C=NNc1ccc(Cl)cc1F 901318187 RCCOLUMFUFFCOI-UHFFFAOYSA-N 292.745 3.536 30 20 CHED C=CCC1(NC[C@H](O)[C@H](C)c2ccccc2)CCCC1 661851382 UGLIVJCNLRZPEB-WBVHZDCISA-N 273.420 3.630 30 20 CHED C=CCN(C)Cc1ccc(OC(C)C)c(Cl)c1 494643094 NAOBPGQEPJRAAX-UHFFFAOYSA-N 253.773 3.745 30 20 CHED Cc1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)s1 730148633 IOGPEFQNWUQIFN-PLNGDYQASA-N 278.354 3.712 30 20 CHED CS[C@H](C)CC(=O)OCCCCC1(C#N)CCC1 909102931 HTUNNKFUDIYKTR-GFCCVEGCSA-N 269.410 3.535 30 20 CHED C=CCC[C@H](CCC)NC1(CC=C)CCOCC1 668550540 BOWMRTYEAJVTIB-HNNXBMFYSA-N 251.414 3.836 30 20 CHED C#CC[C@H](OC(=O)c1cccc(C(F)(F)F)n1)C(C)(C)C 835303447 POMSJWJTMIBRIA-LBPRGKRZSA-N 299.292 3.695 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCOc3ccc(F)cc32)c1 834903964 UIXKOBZAKIMGKB-GOSISDBHSA-N 295.357 3.811 30 20 CHED CCCc1ccc(C(=O)/C=C/c2ncc(Cl)n2C)cc1 834408026 HLPOGDUMKXNYTR-MDZDMXLPSA-N 288.778 3.922 30 20 CHED C=CCCCCCN[C@H](C(=O)O)c1ccc(F)c(C)c1 905387401 WAKLBUXELQLANJ-HNNXBMFYSA-N 279.355 3.596 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccc3cc[nH]c3c2)no1 904574560 JUCRYYGEFNYUPI-CYBMUJFWSA-N 282.347 3.574 30 20 CHED C=CCCC(=O)O[C@@H](CC)c1ccc(F)cc1F 739273297 XWJCTZDRMZVCLC-ZDUSSCGKSA-N 254.276 3.925 30 20 CHED C[C@H](OC(=O)C(C)(C)C#N)c1ccc(Br)cc1 743466752 KVIPSIQMUKFFCA-VIFPVBQESA-N 296.164 3.603 30 20 CHED C#CCOc1ccc(CNC2(C)CCCCC2)cc1 733327255 QRSKGEDLVPGORI-UHFFFAOYSA-N 257.377 3.511 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C(C)C)cc1C(=O)O 833368757 SUNCFWZFPCOLGZ-UHFFFAOYSA-N 290.363 3.548 30 20 CHED C=C[C@@H](CC(=O)OCCc1ncccc1C)c1ccccc1 835579887 GQJXBDKWFCLASL-INIZCTEOSA-N 295.382 3.836 30 20 CHED Cc1cc(CNCC(C)(C)CC#N)cc(C)c1OC(F)F 839163856 SXMZGWUDSIVSTR-UHFFFAOYSA-N 296.361 3.934 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](CC(C)(C)C)C1 837166024 JFIGOSIOXMWYQD-HNNXBMFYSA-N 263.425 3.855 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1ccc(Cl)nn1 917534757 NVXSEGJPFRLSFF-UHFFFAOYSA-N 292.745 3.690 30 20 CHED C#CCOc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 730981458 PYDYLYBDGYQQHI-UHFFFAOYSA-N 299.757 3.533 30 20 CHED C=CC(C)(C)COC(=O)[C@H](C)[C@@H]1OCCc2sccc21 835722323 QWEATYGGYHZZSM-RISCZKNCSA-N 294.416 3.753 30 20 CHED CCCC(=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 915969457 QQLTWCFFBRJGRP-UHFFFAOYSA-N 284.319 3.606 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ncoc2-c2ccccc2)C1 839054514 VROZCOQCQRBFFU-GXTWGEPZSA-N 296.326 3.581 30 20 CHED CCCSCC(=O)N(c1ccc(C#N)cc1)C1CCC1 598883910 DJMNHZPXBYHPLJ-UHFFFAOYSA-N 288.416 3.587 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCC1CCC(F)(F)CC1 837656019 LIZCMLIPHLFULJ-AWEZNQCLSA-N 290.350 3.584 30 20 CHED CC(=NNc1ccccc1)c1ccc(C)c([N+](=O)[O-])c1 916245976 QISLXYBPBRHGEH-UHFFFAOYSA-N 269.304 3.739 30 20 CHED C=C(C)[C@H](CC(=O)N1CCc2cccc(Cl)c21)OCC 677379902 XCGBIEXPFPIYHZ-AWEZNQCLSA-N 293.794 3.600 30 20 CHED CCCCCC[C@H](C)NN=Cc1scnc1C 743449962 DGTMQPJNRQFCBL-NSHDSACASA-N 253.415 3.734 30 20 CHED C=C(Cl)C[S@](=O)CCCOc1ccc(Cl)cc1 914522758 QROYUDKXGAJICS-QGZVFWFLSA-N 293.215 3.610 30 20 CHED N#CC1(C(=O)NCc2cccc3ccsc23)CCCCC1 593193751 DLMDMVDXJZEVIT-UHFFFAOYSA-N 298.411 3.992 30 20 CHED N#Cc1ccc(CCN[C@H](c2cccs2)C2CC2)cc1 595056098 QTVFPVIYKVRMCF-KRWDZBQOSA-N 282.412 3.903 30 20 CHED CCN(CC#N)C(=O)/C=C(/C)C12CC3CC(CC(C3)C1)C2 746516822 CJNMVNUFWHUJPD-MLPAPPSSSA-N 286.419 3.521 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@H](CC#N)C1 597906219 LFFBMQNZKGXKKD-SJLPKXTDSA-N 298.430 3.798 30 20 CHED CCC(CC)N(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CC1 593963646 QVLVKFSQOOMPMS-CQSZACIVSA-N 298.430 3.916 30 20 CHED CC(=O)c1csc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1 741114717 FYXLMYAKNPKVRS-LLVKDONJSA-N 299.351 3.740 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 593489675 WOHMKLCNUBXLTR-HYVNUMGLSA-N 284.403 3.639 30 20 CHED C#CCN(Cc1nc(C)c(C)s1)[C@H]1CCc2ccccc21 746504078 XXRQCQDWGBSHOH-KRWDZBQOSA-N 296.439 3.883 30 20 CHED N#CCCCCCC(=O)Nc1nccc2ccccc12 597729152 CALRCJLNBMNTJI-UHFFFAOYSA-N 267.332 3.647 30 20 CHED CC[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@H](C)C#N 597081530 BTLDZIMKCOHRKS-SMDDNHRTSA-N 284.325 3.776 30 20 CHED CC(=NNc1oc(CC(C)C)nc1C#N)c1cccc(C)c1 745613997 VCFVGDHXWJQHKC-UHFFFAOYSA-N 296.374 3.889 30 20 CHED CC(=NNc1cnccn1)c1ccc(Cl)c(Cl)c1 912958667 FXQGCJKNARQNAU-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CC(C)[C@H]1N(c2ncc3c(c2C#N)CCC3)CC12CC=CC2 591991721 BZUFFIUPNSXIKG-QGZVFWFLSA-N 293.414 3.623 30 20 CHED CN(CCC#N)c1ccc(CN2CC[C@@H]3CCCC[C@@H]32)cc1 843415958 NKXNRSLLFQCBPY-HKUYNNGSSA-N 297.446 3.801 30 20 CHED CCCC(=NN[C@@H]1CCOC(C)(C)C1)[C@H]1CC1(C)C 841632831 HFQQEUPEDWMROE-CHWSQXEVSA-N 266.429 3.736 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N(CCC#N)CC(C)(C)C)c1 599348608 AOFINDWCBLEHPS-DLBZAZTESA-N 298.430 3.887 30 20 CHED CC(=NNc1ccccn1)c1oc2ccccc2c1C 916273465 FKWRAIYKDVRLEB-UHFFFAOYSA-N 265.316 3.972 30 20 CHED CC1(C)CCC(C(=O)Oc2cccc(OCC#N)c2)CC1 841345095 CPICDHRQEVUFHG-UHFFFAOYSA-N 287.359 3.711 30 20 CHED COCC(=NNc1cccc(Cl)c1Cl)C1CC1 841643965 DRSJAMSHLAMNGF-UHFFFAOYSA-N 273.163 3.818 30 20 CHED C[C@@H]1N(C(=O)c2ccc(C#N)cc2)c2ccccc2C1(C)C 598273920 HVWHHBLQAAJIMO-ZDUSSCGKSA-N 290.366 3.885 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(Cl)c(C#N)c1 598522028 MZZFVCURNLSHHE-UHFFFAOYSA-N 276.767 3.686 30 20 CHED C=C[C@@H](C)ON=CC(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1 844621384 GUHZIBLXKOHTPP-HIFRSBDPSA-N 290.363 3.650 30 20 CHED CCCCC[C@@H](C)CC(=O)N(CC)C[C@@H](C)C#N 742548579 LNFVHFAYHIWNNT-KGLIPLIRSA-N 252.402 3.601 30 20 CHED Cc1cc(SCC(F)(F)C(F)F)ccc1C#N 842631961 AMNVFMNLPZOUQN-UHFFFAOYSA-N 263.259 3.859 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C\C1CCCC1 843562764 FFLVYESBCVLTLZ-KTKRTIGZSA-N 262.397 3.712 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(C(=O)c2ccccc2)CC1 929618521 BRXLLRVAGPNAHC-HNNXBMFYSA-N 299.414 3.710 30 20 CHED CCCCCCCCCC(=O)NCc1ocnc1C 854587775 JFLLRZQNIRPEAH-UHFFFAOYSA-N 266.385 3.740 30 20 CHED C#CCN(C(=O)c1cccc(-c2nc(C)cs2)c1)C(C)C 928627423 UAUACOKONFNTJY-UHFFFAOYSA-N 298.411 3.602 30 20 CHED Fc1cccc(NN=C2CCc3ccccc3C2)c1 920384105 OSVHQOUDTHDHDR-UHFFFAOYSA-N 254.308 3.783 30 20 CHED C[C@@H]1CC(CCOC(=O)C2(C#N)CCC2)C[C@@H](C)C1 757076449 MDDQUQBKIDURAU-STQMWFEESA-N 263.381 3.686 30 20 CHED CCCCCCCCNC(=O)c1cncnc1C(C)C 754853114 DXTZYONJJNKGKB-UHFFFAOYSA-N 277.412 3.690 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc([N+](=O)[O-])cc1C 853345623 GTHVYOZFOSKXMM-UHFFFAOYSA-N 274.324 3.631 30 20 CHED Cc1ccc([C@H](NCCCCC#N)c2cccnc2)cc1 924942200 LSNZVJIVAHNVIM-SFHVURJKSA-N 279.387 3.763 30 20 CHED Cc1noc(C)c1[C@H](C)NCC#Cc1ccc(Cl)cc1 680381871 YZBLZSTXVFOPHP-NSHDSACASA-N 288.778 3.647 30 20 CHED C=CCCONC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 856027764 ZUMZLSHLFIMCLR-JTQLQIEISA-N 287.281 3.590 30 20 CHED C#CCCCCNC(=O)NCc1ccc(-c2ccccc2)o1 758713585 WORGIUYKJVSHJJ-UHFFFAOYSA-N 296.370 3.549 30 20 CHED CC(C)c1ncc(C=NNc2cccc(F)c2)s1 758374488 GRCKACKFHCLGQW-UHFFFAOYSA-N 263.341 3.852 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C#N)C(C)(C)C 759285162 DGZZNRDNIYTXAF-BMGYJQCNSA-N 290.794 3.798 30 20 CHED Fc1ccc([C@H]2CCCC2=NO[C@H]2CCCCO2)cc1 755814684 NMRYETMNYJJRFP-ZBFHGGJFSA-N 277.339 3.992 30 20 CHED CON(C(=O)c1cc(C#N)oc1C)[C@H](C)c1ccccc1C 854523200 YHFKXAGQVCFICW-GFCCVEGCSA-N 298.342 3.533 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccoc2)CCCCC1 859713280 ZSYZQPJLYFNXTO-UHFFFAOYSA-N 276.332 3.532 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1ccc(COC)o1 935432132 VDPOSRVRZDYJRN-UKRRQHHQSA-N 291.391 3.692 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNc1ccc(Cl)nn1 756871310 RZFZMYHHPBEKDY-UHFFFAOYSA-N 295.173 3.846 30 20 CHED CC[C@H](C)c1ccc(C(C)=NN(C)CCOC)cc1 863111906 KOWYAIAKKKWZPI-ZDUSSCGKSA-N 262.397 3.502 30 20 CHED CC[C@@](C)(C#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 765357862 IEKHPRLWEHLVBE-JRZJBTRGSA-N 276.424 3.958 30 20 CHED CC[C@H](CC#N)Nc1nn2cc(-c3ccccc3)nc2s1 762816715 UEZNZTRXAIZGST-GFCCVEGCSA-N 297.387 3.562 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(O)cc(O)c2)cc1Cl 766489157 BOHAVSKJSFKRMU-PLNGDYQASA-N 288.730 3.956 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC=C(C(C)(C)C)CC1 935114158 VHAXDJUNFVNHKB-UHFFFAOYSA-N 282.387 3.685 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2nc(Cl)cs2)s1 762443564 QIUDVRIGIMABSU-DUXPYHPUSA-N 280.761 3.626 30 20 CHED COc1ccc(NN=C(C)c2ccccc2C)c([N+](=O)[O-])c1 767803176 JFVSKEIGDDKXQK-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C#CCCCNc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 766723854 GQNJUMQGSFNYBC-INIZCTEOSA-N 298.430 3.835 30 20 CHED CCN(CCc1cccs1)C(=O)c1cc(C#N)ccc1C 930021234 FETQKNVUJKRRBJ-UHFFFAOYSA-N 298.411 3.633 30 20 CHED C#C[C@H](OC(=O)c1sc(C)nc1-c1ccccc1)C1CC1 767518807 MBOUARCQXUZHBP-AWEZNQCLSA-N 297.379 3.687 30 20 CHED C(=NNc1ccccn1)c1ccc(Sc2ccccn2)o1 766434046 VRLCOYVMPNVTRR-UHFFFAOYSA-N 296.355 3.667 30 20 CHED C#C[C@H](C)N(C)C(=O)C1(c2c(Cl)cccc2Cl)CC1 767252955 IOFRUUCTYWIRPM-JTQLQIEISA-N 296.197 3.505 30 20 CHED CC(C)C(NCc1ccc(N(C)CCC#N)cc1)C(C)C 769928483 REAMXLGGHSORHH-UHFFFAOYSA-N 287.451 3.807 30 20 CHED CCc1ccc(OC(=O)c2ccc(CC#N)cc2)c(OC)c1 761840403 XGKVGJGTQXMCTQ-UHFFFAOYSA-N 295.338 3.543 30 20 CHED CC(C)c1ccc(CCC(=O)OCC2(C#N)CCC2)cc1 768097003 PYKKOMQIIFATSN-UHFFFAOYSA-N 285.387 3.980 30 20 CHED C#CCCCCc1nc(Cc2ccc(F)cc2Cl)no1 761628859 SQROIHQCJGPOLJ-UHFFFAOYSA-N 292.741 3.799 30 20 CHED Cc1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1F 761144589 RPHMDYZJTOYYIM-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CC[C@@H]1CC[C@@H](C)N1CC[C@@](C#N)(C(C)=O)c1ccccc1 878340192 JXDRHYBFLSEWSJ-ATZDWAIDSA-N 298.430 3.690 30 20 CHED N#CCc1cccc(N[C@H]2CCc3c(Cl)cccc32)n1 1116636485 NWPIOVDDUROMLW-HNNXBMFYSA-N 283.762 3.900 30 20 CHED C[C@H](/N=C\c1c(O)ccc2ccccc12)[C@@H]1CCCOC1 779708436 WSZZIMYFFIWNFU-XJKCODKZSA-N 283.371 3.779 30 20 CHED C#CCCCCN[C@H](CC)c1cc(C)ccc1OC 773040711 MAGSHSVYKYOSQD-MRXNPFEDSA-N 259.393 3.848 30 20 CHED C#CCOc1cccc(Cl)c1CN[C@@H]1CC=CCC1 778168302 AWOYXIDIMVAUKT-CYBMUJFWSA-N 275.779 3.550 30 20 CHED CC#CCCNC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 779447562 YOFHMMWCZZGVTB-BENRWUELSA-N 295.304 3.638 30 20 CHED C=CCCOC(=O)C1(c2ccc(F)cc2F)CCC1 777211709 OLKIHYHJKHFRSF-UHFFFAOYSA-N 266.287 3.506 30 20 CHED Cc1ccc(F)cc1/C=C1\COc2ccccc2C1=O 777911651 KGMDXJIRQQLOQW-MDWZMJQESA-N 268.287 3.793 30 20 CHED Cc1coc(C(=O)O[C@H](C#N)C2CCCCC2)c1C 1117163459 FCSMYSGRNNEALI-CYBMUJFWSA-N 261.321 3.526 30 20 CHED C=CCSc1ccccc1C(=O)OCC1CCOCC1 777076276 PBDUXCADLMKDNF-UHFFFAOYSA-N 292.400 3.548 30 20 CHED COc1cc(C#N)ccc1OC(=O)C1C[C@@H](C)C[C@H](C)C1 779738176 SZTYUGSLMZCOSR-RYUDHWBXSA-N 287.359 3.545 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cccc(C(=O)O)c1 774115117 NNRXNDPNKAMJIX-VQHVLOKHSA-N 296.322 3.598 30 20 CHED COc1ccc(NC[C@@H](C)CCC#N)c2ncccc12 877403429 PPIDEXIFHGWVDQ-LBPRGKRZSA-N 269.348 3.595 30 20 CHED CC/C(C)=C(\C)c1nnc(-c2ccc(C#N)cc2)o1 1118415786 XERBWLLXRFXFAM-ZHACJKMWSA-N 253.305 3.812 30 20 CHED CC(C)Oc1cccc(CNC[C@@H](C)CCC#N)c1 876943441 GJAWOFUQECUZSM-AWEZNQCLSA-N 260.381 3.503 30 20 CHED CCCCCCCCOC(=O)c1ccn(C(F)F)n1 775936644 IXYXZDCGMOLYHF-UHFFFAOYSA-N 274.311 3.796 30 20 CHED C=CCSc1ccccc1C(=O)OCCCCOC 777296531 JXZWHSZNOBSHRP-UHFFFAOYSA-N 280.389 3.548 30 20 CHED Cc1ccc(C[C@H](C)C(=O)OCc2cccc(C#N)c2)cc1 778882476 HYZJRDXAWDHKNS-HNNXBMFYSA-N 293.366 3.789 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1nc(-c2ccncc2)no1 773206631 ICEGSOXYZRYMHP-JSGCOSHPSA-N 297.362 3.522 30 20 CHED C=CCCCCCN(C)C(=O)CCc1cccc(O)c1 1123690105 ZACHWARZXGFYJA-UHFFFAOYSA-N 275.392 3.530 30 20 CHED Cc1ccc2c(c1)CCN2Cc1ccc(O[C@@H](C)C#N)cc1 780768588 BAMAJCQZIZAMHP-HNNXBMFYSA-N 292.382 3.849 30 20 CHED CCc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1N 783964463 YLBLRHHFMWGEPP-LBPRGKRZSA-N 294.354 3.621 30 20 CHED CCCCn1nc(C)c(C=NNC2CCCCC2)c1Cl 786039913 JEUQEZFIAYPENK-UHFFFAOYSA-N 296.846 3.901 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1sccc1C#N 1129424392 LDXUDUZZNQTHQC-WCQYABFASA-N 276.405 3.566 30 20 CHED C=C(CNC(=O)c1c(F)cc(C)cc1F)c1ccccc1 1129588280 RZDJDNCPMBIRRR-UHFFFAOYSA-N 287.309 3.716 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CCCc2ccsc2)C1 783506736 VUKGHCLZSJYWGQ-XJKSGUPXSA-N 290.432 3.659 30 20 CHED CC(C)[C@@H](C)[S@](=O)CCCCC1(C#N)CCC1 899281065 WFISXWMDLJJOMQ-CXAGYDPISA-N 255.427 3.644 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2scnc2C2CC2)c1 782347106 HQVRPOGVVAJPSB-VOTSOKGWSA-N 285.368 3.931 30 20 CHED Cc1cccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1F 780162667 WTSWEAUVJLTNPL-LBPRGKRZSA-N 298.317 3.677 30 20 CHED C#CCN(Cc1scnc1C1CC1)C1CCCCC1 787132509 MELKBCMGRAMIBH-UHFFFAOYSA-N 274.433 3.788 30 20 CHED C#C[C@H](OC(=O)C[C@H](C)c1c[nH]c2ccccc12)C1CC1 786474177 NWFBZBUCVMNFMC-SJCJKPOMSA-N 281.355 3.617 30 20 CHED COc1cc(C(C)=NNc2nccc3sccc23)ccn1 782205303 KFGGNNUHOFQIOZ-UHFFFAOYSA-N 298.371 3.536 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2cccnc2)c(Cl)c1 891611815 CEEPDTNNDTUIKE-OAHLLOKOSA-N 283.762 3.948 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CCC(=O)c2ccccc21)C(C)(C)C 793210875 XSQVTYGGGYLNQR-WBVHZDCISA-N 298.382 3.728 30 20 CHED CCN(CC(C)C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790276123 HVGQLBDFZTZXOJ-UHFFFAOYSA-N 297.320 3.561 30 20 CHED C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)[C@H](C)[C@H]1C 1307146852 JWOFXPPJNSTMPH-FRRDWIJNSA-N 271.408 3.731 30 20 CHED C=CCCOC(=O)c1c(-c2ccccc2C)noc1C 796210440 IUKRWFFRBOEPGH-UHFFFAOYSA-N 271.316 3.691 30 20 CHED Cc1ccc([C@H](O)[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 797057613 AFIHMRCBDMRXSW-QMTMVMCOSA-N 294.398 3.639 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cccc(Cl)n1 793181730 ZPNBJJLEDQKESI-UHFFFAOYSA-N 271.751 3.806 30 20 CHED Cc1ccc(C(=O)N(C)C2CCC(C)CC2)cc1C#N 799298766 JVDPSEZAQDFJHS-UHFFFAOYSA-N 270.376 3.517 30 20 CHED C=C(C)CN(CC)Cc1c(O)ccc(Cl)c1F 792156805 NRPXJRNTAJDFJZ-UHFFFAOYSA-N 257.736 3.583 30 20 CHED C=CCCCCC[C@@H](C)NCc1csc(N(C)C)n1 793535024 OLTKYAPWDBMXDM-CYBMUJFWSA-N 281.469 3.824 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccccc1C(F)(F)F 796854252 CJTCEZGPZZQGOB-ZDUSSCGKSA-N 285.265 3.688 30 20 CHED Cc1ccc(C(=O)N2CCCc3ccc(F)cc32)cc1C#N 799310788 LSLVDHXXLOOUPY-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=C(C)CN(CC)Cc1csc(C(C)(C)C)n1 48060820 ALGSCJJFVKIFTQ-UHFFFAOYSA-N 252.427 3.839 30 20 CHED COC(=O)c1ccccc1CSCc1ccc(C#N)cc1 1166474986 VUVWBJVYUJJSDY-UHFFFAOYSA-N 297.379 3.778 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CC(C1CC1)C1CC1 1318345559 JZFXAIRDAODIQP-UHFFFAOYSA-N 276.424 3.601 30 20 CHED N#Cc1nc(NC[C@@H]2CCC[C@H]2C2CC2)ccc1Cl 1163501182 OSKWXWOAKFMQQS-RYUDHWBXSA-N 275.783 3.845 30 20 CHED Cc1nc(Oc2ccc(C#N)cc2Cl)ccc1[N+](=O)[O-] 301624545 GQOSZDRTMWGBBS-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=CC[C@@H](CC)Nc1cc(OC)c([N+](=O)[O-])cc1F 393744779 KSBGGDPORPKJKM-SECBINFHSA-N 268.288 3.509 30 20 CHED C=CCCCCNC(=O)c1ccccc1Br 274484267 POIUCKUKVCXASS-UHFFFAOYSA-N 282.181 3.535 30 20 CHED N#Cc1csc(CN2CC[C@H]3CCCC[C@H]3C2)c1 1324712277 PWZHAYDDWKHCMA-KGLIPLIRSA-N 260.406 3.632 30 20 CHED N#CCOc1ccc(NCc2scnc2C2CC2)cc1 1321042155 BUCBYKNNCNSKRA-UHFFFAOYSA-N 285.372 3.535 30 20 CHED N#CCOc1ccc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)cc1 1320790188 IGZUCKQARLDACC-KBPBESRZSA-N 298.386 3.744 30 20 CHED C=CCC(C)(C)c1noc(-c2cn3c(C)cccc3n2)n1 1324521066 XADKTBKLTYPDLW-UHFFFAOYSA-N 282.347 3.546 30 20 CHED C/C(=C/C(=O)OCCCC(C)(C)C#N)c1ccco1 1327499863 LHCQLIRQNJYBMV-BENRWUELSA-N 261.321 3.556 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccccc1CC(C)(C)C 1337807373 FBKJVWVFQWJTMO-CYBMUJFWSA-N 272.392 3.649 30 20 CHED C=CC1CCN(Cc2nc3c(s2)C[C@H](C)CC3)CC1 1254010648 HWUUCAZYROYBHG-GFCCVEGCSA-N 276.449 3.666 30 20 CHED N#Cc1cc(=N[C@@H](c2ccc(F)cc2)C2CCCC2)cc[nH]1 1185241301 IBXXCPPENZRHFC-GOSISDBHSA-N 295.361 3.858 30 20 CHED CN(c1cccc(C#N)n1)[C@@H]1CCC[C@@H]1c1ccccc1 1186673218 VVTHFWXIECXPJO-IAGOWNOFSA-N 277.371 3.726 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)C[C@H](C)c1ccccc1C 1337716286 PCVSWWAODKQKHZ-GJZGRUSLSA-N 272.392 3.639 30 20 CHED C#C[C@@H](CC)NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1255771599 CXJKAJGTAUYLOY-NSHDSACASA-N 298.213 3.799 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(Cl)cn1CC 1337488663 PBMAZZYUWJTTFH-ZDUSSCGKSA-N 280.799 3.732 30 20 CHED CC(C)[C@H](C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1263377482 CAOKCMLRDACJBD-YOEHRIQHSA-N 296.345 3.837 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N(C)c1ccc(C)cc1 1263309271 CVUIYMRZEYJSBN-UHFFFAOYSA-N 292.333 3.868 30 20 CHED CSc1ccc(NC(=O)c2ccsc2C#N)cc1 1523430397 JKDLDWDKUNWKSY-UHFFFAOYSA-N 274.370 3.594 30 20 CHED Cc1ccc2oc(C(=O)[C@H](C#N)c3cccc(F)n3)cc2c1 1524705728 TYFZXDVEXMWIJS-GFCCVEGCSA-N 294.285 3.765 30 20 CHED Cc1cc(C)c(/C=C/CN2CCC[C@@H](C#N)C2)c(C)c1 1462574606 XNCIZQZTJVFQBS-UABRLCRWSA-N 268.404 3.861 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc2ccncc12 1540017071 WNBYXWXHXGOIBL-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 1558694702 XMAMLOIFSATUPL-JKSUJKDBSA-N 282.387 3.517 30 20 CHED Cc1cc(C)cc(CN2CCCC(C)(C)[C@@H]2C#N)c1 1617736151 YWEUEAAWZNGTDX-INIZCTEOSA-N 256.393 3.818 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)NCC1(CC#N)CC1 1634858667 PRSZARWWUHJZCQ-LSDHHAIUSA-N 291.439 3.586 30 20 CHED C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(C#N)cc1 1562052271 LBWAOWDBOVBJHB-GFCCVEGCSA-N 299.399 3.715 30 20 CHED C[C@@H]1CCC[C@H](Cn2c(C(F)(F)F)ccc(C#N)c2=O)C1 1641371667 MDFRIRHZBQNYTL-MNOVXSKESA-N 298.308 3.565 30 20 CHED COc1cc(C#N)ccc1CN1CCCCC[C@H]1C(C)C 1642451978 NIJDLDSJYCFEHU-KRWDZBQOSA-N 286.419 3.967 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)c2ccccc2O1 1641799953 PPHCCLZZOHCSBA-GFCCVEGCSA-N 298.773 3.999 30 20 CHED CC[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CC1(C)C 1651957521 OIDXVDGMJKFWPB-YUMQZZPRSA-N 269.801 3.905 30 20 CHED CC(C)(C#N)CCCNc1ccc2c(C(=O)O)c[nH]c2c1 1589554456 BFVNVEKEMKLSGH-UHFFFAOYSA-N 285.347 3.608 30 20 CHED CCCC1(CNc2c(C#N)cccc2C#N)CCC1 1650864657 HPGRLCZGHUBGGV-UHFFFAOYSA-N 253.349 3.812 30 20 CHED N#Cc1ccnc(CSCc2cccc(F)c2F)c1 1652201234 VPSPMPAYFOOBFJ-UHFFFAOYSA-N 276.311 3.665 30 20 CHED C[C@H]1CC[C@H](Nc2nc(C#N)c(Cl)s2)CC1 1655116784 BOQPMBBPOPHWHT-ZKCHVHJHSA-N 255.774 3.659 30 20 CHED CC[C@H](C)C[C@H](C)Nc1nc(C#N)c(Cl)s1 1651561867 CYHBEIMIBMPMDZ-YUMQZZPRSA-N 257.790 3.905 30 20 CHED CCC(CC)CN(CCC#N)Cc1csc(C(=O)O)c1 1595111296 FAJUSNHVRHHHPS-UHFFFAOYSA-N 294.420 3.598 30 20 CHED CN(Cc1ccoc1)c1c(Br)cccc1C#N 1642123748 SYTOFUGQLLZCAB-UHFFFAOYSA-N 291.148 3.550 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CC[C@@H](C(=O)O)C1 1595705361 XYDXHZSWDATIHN-AUECHBEKSA-N 295.423 3.616 30 20 CHED C=C(CNC(=O)N[C@H]1CCCC[C@H]1CC)c1ccccc1 1674611289 BYVOQIQOYWYDCP-WBVHZDCISA-N 286.419 3.968 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@H](C)CC(C)(C)C)C1 1776154540 ISUCKBXFJBYFLX-RHSMWYFYSA-N 281.440 3.802 30 20 CHED Cc1cccc2c1C(=NNc1ccc(C(=O)O)c(F)c1)CC2 1776076091 VTNOLSGZBUGEGK-UHFFFAOYSA-N 298.317 3.595 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@H]2CCCC(C)(C)C2)CC1 1776159167 VDRSHLPBTACCFN-HNNXBMFYSA-N 293.451 3.946 30 20 CHED C=CCC[C@@H](Nc1ncc(C(=O)O)c(C)n1)c1ccccc1 1776167915 ZNNJBVSDIOKFQC-OAHLLOKOSA-N 297.358 3.603 30 20 CHED CC[C@@H]1CCCC[C@@H]1C=NNc1ccc(C(=O)O)cc1 1776013009 CGNGOIFMWJOFNT-TZMCWYRMSA-N 274.364 3.999 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CCCCC[C@@H]1C 1776050645 QHVKTJFRCRKLDU-NSHDSACASA-N 290.363 3.762 30 20 CHED Cc1ccc(/C=C2\Cc3c(O)cccc3C2=O)s1 11335996 UNLOCBBDJIHCPM-JXMROGBWSA-N 256.326 3.585 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@H]2CC[C@H](C)C2)s1 160479938 NIPAIPYSGADTSW-QWRGUYRKSA-N 276.405 3.947 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)c1ccc(Br)cc1 163004954 GWUZZVVQPOHZQH-WDEREUQCSA-N 296.208 3.633 30 20 CHED C=CCc1cc(CN(C)[C@@H](C)C2(C)CC2)c(O)c(OC)c1 164473791 OJDKXCRKCNRDCN-ZDUSSCGKSA-N 289.419 3.750 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1cc(O)cc(O)c1 152678677 RGFZPERREHVFMT-BQYQJAHWSA-N 298.338 3.781 30 20 CHED CC[C@@H](CC(=O)N(C)C1(C#N)CCC1)c1ccc(C)cc1 157032151 IPLBBDQWZCKSEJ-HNNXBMFYSA-N 284.403 3.783 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)cn1 156117172 PXNAMVKHRKJZCC-UHFFFAOYSA-N 279.387 3.674 30 20 CHED N#Cc1ccc(CN[C@H]2CCO[C@H](c3ccccc3)C2)cc1 157547036 DGSKINHDYFITSG-OALUTQOASA-N 292.382 3.568 30 20 CHED CCCCCc1ccc(NC(=O)N[C@@H](C)CC#N)cc1 153898935 XUGDFLUWQGYNSI-ZDUSSCGKSA-N 273.380 3.843 30 20 CHED C#CCCCOC(=O)[C@H](C)c1ccc(Br)cc1 155639537 VOUHCNZDKHDQMO-LLVKDONJSA-N 295.176 3.509 30 20 CHED C=CCn1c(SCC(=C)C)nnc1-c1cccs1 155789111 YDPLNLKYAGVGDR-UHFFFAOYSA-N 277.418 3.861 30 20 CHED C#CCCCCNC(=O)[C@H](C)c1ccc2ccccc2c1 156311844 UEGKVMZJLDNOIU-OAHLLOKOSA-N 279.383 3.863 30 20 CHED CCCSCC(=O)Nc1cc(C(C)(C)C)sc1C#N 154283673 MQKHICQQFYTLFK-UHFFFAOYSA-N 296.461 3.999 30 20 CHED N#Cc1ccc(-c2nc3ccc(F)cc3n2C2CC2)o1 154939380 MAMGROXKCLYTDV-UHFFFAOYSA-N 267.263 3.642 30 20 CHED C=C(C)CN1CCC(CCN2CCCC[C@H]2C)CC1 159060234 VGFFJLGWPLPFEX-MRXNPFEDSA-N 264.457 3.539 30 20 CHED CCC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CCCC1 159360987 SQDQWCXUZAKRBB-AWEZNQCLSA-N 290.794 3.991 30 20 CHED N#Cc1cc(F)ccc1NCc1ccc(F)cc1F 111026826 LCCQVNRACNYATA-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=C(Cl)CNCc1c(Cl)cccc1Cl 124494807 DXPQXVFCOCPDGX-UHFFFAOYSA-N 250.556 3.836 30 20 CHED N#Cc1c(F)cccc1OCc1csc(C2CC2)n1 126977556 SVPACLBHOCXFCZ-UHFFFAOYSA-N 274.320 3.610 30 20 CHED C#Cc1cccc(NCc2cc(F)c(F)cc2F)c1 130483231 ZWSWHUFYTBFKPY-UHFFFAOYSA-N 261.246 3.697 30 20 CHED CC(C)(C)C[C@H]1CCN(Cc2cccc(C#N)c2)C1 307772516 IWXCEABBAPAHGP-MRXNPFEDSA-N 256.393 3.816 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1ccccc1C#N 308090309 PXDWTHJPIDIVLC-CYBMUJFWSA-N 258.365 3.959 30 20 CHED CCc1nc(C#N)cc(N[C@@H](CC)C2CCCCC2)n1 308182545 VMGYOFRSKHVTHL-AWEZNQCLSA-N 272.396 3.681 30 20 CHED C=CCOCCN[C@@H](CC)c1ccc(Cl)s1 310014367 KERTYLLCGIXAKS-JTQLQIEISA-N 259.802 3.645 30 20 CHED Cc1cc(F)cc(C(=O)Nc2cc(C#N)ccc2C)c1 79808707 AWDSNIPFAVQZTD-UHFFFAOYSA-N 268.291 3.567 30 20 CHED OC(=Nc1ccc2nc[nH]c2c1)[C@H]1CC12CCCC2 329950443 HUJJOLNCLSZWEO-LLVKDONJSA-N 255.321 3.731 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1OC 540170821 POUZRXVUWNCBTA-MNOVXSKESA-N 253.773 3.964 30 20 CHED C=CCCC[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc12 398107038 AGOFVIYWSBZMRG-VIFPVBQESA-N 292.364 3.756 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1C(C)=O 854734025 LILMQKZANJSDJX-HNNXBMFYSA-N 267.413 3.707 30 20 CHED N#Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 8080667 DJGGUXIKWBWWCM-UHFFFAOYSA-N 274.663 3.912 30 20 CHED N#Cc1ccc(CCC(=O)NCCCC2CCCC2)cc1 31636262 IDUXRDCKSHOEDP-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CN(Cc1ccsc1)c1c(C#N)cnc2ccccc12 36913337 GVWITPXTZHLYIX-UHFFFAOYSA-N 279.368 3.804 30 20 CHED CC[C@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 36913358 SGFKJTFVIOLJTL-ZDUSSCGKSA-N 265.360 3.733 30 20 CHED COCc1ccccc1N[C@H](C)c1ccc(C#N)cc1 36938888 TUHRORJMBMWBDV-CYBMUJFWSA-N 266.344 3.878 30 20 CHED COCc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 37270745 WRFVIACSVZVRRK-ZDUSSCGKSA-N 266.344 3.878 30 20 CHED CCN(Cc1nc(C(C)C)no1)[C@H](C)c1ccc(C#N)cc1 42741827 UHVRJQSWAWJZCL-CYBMUJFWSA-N 298.390 3.648 30 20 CHED Cc1cc(C)cc(N(C)CCOc2ccc(C#N)cc2)c1 48400509 WAUONOAVONDSJA-UHFFFAOYSA-N 280.371 3.690 30 20 CHED Cc1cc(C)cc(N(C)Cc2ccccc2C#N)c1 48400511 HOZSIGAYBMOACP-UHFFFAOYSA-N 250.345 3.812 30 20 CHED N#C[C@@H](NC(=O)CCc1ccccc1)c1ccccc1Cl 49904441 LJOBIAFLRVJQPI-MRXNPFEDSA-N 298.773 3.654 30 20 CHED CCCOc1ccccc1NC(=O)c1sccc1C#N 52028597 JEMBMSRFTVNZLA-UHFFFAOYSA-N 286.356 3.661 30 20 CHED CCN(C(=O)c1scnc1C)[C@@H](C)c1ccc(C#N)cc1 55208309 OLBKLOSNJSHSSU-LBPRGKRZSA-N 299.399 3.547 30 20 CHED N#CCCn1c(CCOc2ccccc2)nc2ccccc21 57800399 XAXLAHCFSGNJEN-UHFFFAOYSA-N 291.354 3.571 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCCc1ccccc1 58453702 PNOXQXFHRBCTNP-UHFFFAOYSA-N 293.370 3.621 30 20 CHED Cc1ccccc1-c1nnc(SC[C@@H](C#N)CCC#N)o1 61729843 VJHCMRCNBQESSS-GFCCVEGCSA-N 298.371 3.581 30 20 CHED C=C(C)CNC(=S)N(Cc1ccccc1)CC1CCC1 63794969 IOCIZGKDJYRBKQ-UHFFFAOYSA-N 288.460 3.739 30 20 CHED CC1CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1 64438686 AFPSZRYRPFYDPV-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@]12CCC[C@@H](C)C2 66131439 XNGLVGAWDYTWKM-DYVFJYSZSA-N 270.376 3.647 30 20 CHED COc1ccccc1[C@@H]1CCCN1Cc1ccccc1C#N 69085875 HMZQXILUMSGBBO-SFHVURJKSA-N 292.382 3.904 30 20 CHED C=CCSc1nnc(C[C@@H](C)c2ccccc2)o1 72742154 ZBKWKKHSACQKOG-LLVKDONJSA-N 260.362 3.694 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(F)ccc1OC 73287230 NBAXTBJKLXLPJZ-UHFFFAOYSA-N 299.345 3.663 30 20 CHED C[C@H](NC(=O)N1CCCC(C)(C)CC1)c1cccc(C#N)c1 74918215 PTUAAKAVIQWRSI-AWEZNQCLSA-N 299.418 3.841 30 20 CHED CC(C)N(CCC(F)(F)F)Cc1ccc(C#N)cc1 77272484 HXJXSTPNXRYQPR-UHFFFAOYSA-N 270.298 3.721 30 20 CHED Cc1ccccc1C[S@@](=O)CCCC(C)(C)C#N 87611157 GPMBYSANLXYHOD-GOSISDBHSA-N 263.406 3.574 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 87833128 TZWNNXJQXKBYES-UHFFFAOYSA-N 280.371 3.589 30 20 CHED C=CCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 89603752 KGIJYPMRCPROJY-UHFFFAOYSA-N 276.317 3.669 30 20 CHED CCCN(CC#N)Cc1cc(Cl)c(OC)cc1Cl 92398567 JJJMJZUGBYRZPP-UHFFFAOYSA-N 287.190 3.738 30 20 CHED N#Cc1csc(CN2CCSC3(CCCCC3)C2)c1 93705295 FJEOJUSGNPZTEM-UHFFFAOYSA-N 292.473 3.871 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C 96609764 OEMJHMOHVLMKJJ-JTQLQIEISA-N 261.325 3.561 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccccc1C(F)(F)F 102239729 UTOGSCNIJJLGNL-SNVBAGLBSA-N 271.282 3.849 30 20 CHED C[C@H](CC#N)N(C)Cc1c(O)ccc2oc3c(c12)CCCC3 103460635 IYMRCKVBOHYRNL-GFCCVEGCSA-N 298.386 3.751 30 20 CHED C=CCOc1ccc(CN[C@@H](C)Cc2ccc(O)cc2)cc1 105447990 VBVAGKOJLLNNLF-HNNXBMFYSA-N 297.398 3.678 30 20 CHED N#Cc1cccc(-c2nc(Cc3ccc(Cl)cc3)no2)c1 109612668 FCLHBMPSLOKVBK-UHFFFAOYSA-N 295.729 3.852 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 110577818 RLLBEVSCFJSNOV-QZTJIDSGSA-N 290.366 3.624 30 20 CHED CCCCCCCCC(=O)N1CCC(CCNC)CC1 115859449 OIUAITMDIVTQLA-UHFFFAOYSA-N 282.472 3.585 30 20 CHED C=CCCC(=O)NCCCc1ccc(C(C)C)cc1 116657561 XAVLOSRCIKIAEB-UHFFFAOYSA-N 259.393 3.825 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1Cl 116996716 XZJAASMHPQLZLU-QMMMGPOBSA-N 256.708 3.565 30 20 CHED C[C@H](SCc1cccc(C(N)=O)c1)c1ccc(C#N)cc1 118444018 NESMDTBTCXUCAQ-LBPRGKRZSA-N 296.395 3.652 30 20 CHED Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC#N 119447962 GTGCDTCVDFNAQR-GFCCVEGCSA-N 271.389 3.635 30 20 CHED C#CCCCCC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 119878080 ZMXDGGAZOASYKC-MSOLQXFVSA-N 283.415 3.708 30 20 CHED N#Cc1ccc(F)c(CN[C@H](c2cccs2)C2CC2)c1 120210656 KYZAWWOOFIXQDO-INIZCTEOSA-N 286.375 4.000 30 20 CHED O=C1/C(=C\c2ccc(O)c(F)c2)CCc2ccccc21 120662732 LUMHTXBGCRYRAW-LCYFTJDESA-N 268.287 3.744 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](C)c2ccccc2)c1 120701748 KRQJUDPDGJUIQM-AWEZNQCLSA-N 281.355 3.994 30 20 CHED CC(C)CCCCCC(=O)N[C@H](C#N)C(C)(C)C 122093771 QHFOQKNNSXARSC-CYBMUJFWSA-N 252.402 3.647 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(CSC)cc1 122567039 SNHMDRYYNSDYAZ-UHFFFAOYSA-N 263.406 3.588 30 20 CHED CC(=O)Nc1cccc(NCc2ccc(F)c(C#N)c2)c1C 123906814 MZUGGUVMSGIDDM-UHFFFAOYSA-N 297.333 3.576 30 20 CHED Cc1cccc([C@H](O)C/N=C/c2cc(Cl)ccc2O)c1 128462081 YLTNUESTKJUHMG-TWIVVOHQSA-N 289.762 3.507 30 20 CHED C=CCCSc1nnc(-c2ccc(F)cc2)n1CC=C 128654611 XZXGSAGBWMBHAS-UHFFFAOYSA-N 289.379 3.938 30 20 CHED C[C@H](NC(=O)C1(C#N)CCC1)c1ccc(C(F)(F)F)cc1 129172153 WHNWWOAUAGFNSR-JTQLQIEISA-N 296.292 3.576 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCOC2(CCCCC2)C1 135129340 ZJLDRAUFSUSWBO-HOCLYGCPSA-N 279.424 3.587 30 20 CHED COc1cccc([C@@H](C)NCc2ccc(C#N)cc2F)c1 148278725 SPKAUVNYLIRBIJ-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=CCCSCCC(=O)Nc1ccccc1Cl 151979274 RYDSGKUAEIITRF-UHFFFAOYSA-N 269.797 3.978 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H](C)c1ccc(F)cc1F 152250271 CMHSNURACBFUMV-MNOVXSKESA-N 267.319 3.539 30 20 CHED CSCCCNc1ccc(C(F)(F)F)c(C#N)c1 154050978 XWMRTZFRLWJUNQ-UHFFFAOYSA-N 274.311 3.742 30 20 CHED N#CCN(Cc1coc(-c2cccs2)n1)C1CCCC1 156766216 ANZZQPMMSRGZIY-UHFFFAOYSA-N 287.388 3.671 30 20 CHED CCSCC[C@H](C)Nc1cc(C#N)cc(Cl)n1 160660556 CDCDSCIXFKENNF-VIFPVBQESA-N 269.801 3.550 30 20 CHED CCN(Cc1ccc(C#N)cc1Cl)CC(C)C 162864912 YGTPPTFDIITKFM-UHFFFAOYSA-N 250.773 3.690 30 20 CHED C=C(C)CN(C)c1ccc(C(F)(F)F)cc1C#N 165859822 CHBHEUZXAXIWSX-UHFFFAOYSA-N 254.255 3.589 30 20 CHED N#Cc1ccc(CNc2ccc(F)cc2OC(F)F)cc1 172932724 BQLAHNNRVASCKE-UHFFFAOYSA-N 292.260 3.911 30 20 CHED COc1ccc(/C=C/C(=O)c2ccsc2)cc1C#N 173017929 REDXEOGMXCQWDT-DUXPYHPUSA-N 269.325 3.524 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(C)c(C)c2ncccc12 173116736 NSVBIJRNUOWCNU-AWEZNQCLSA-N 298.386 3.771 30 20 CHED CC(C)CCO[C@@H](C)C(=O)O[C@H](C)c1ccc(C#N)cc1 175809512 GEOHIIPJYINBAU-KGLIPLIRSA-N 289.375 3.614 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1ccc(C#N)s1 176972301 AVMKBFIVXHCEPS-IUODEOHRSA-N 292.448 3.551 30 20 CHED CC(C)(C)[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(F)cc1 177538577 KGPDSVKDKZURCO-HNNXBMFYSA-N 299.349 3.543 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccccc1CC 177866214 LEQFJRMSNUNLKM-GFCCVEGCSA-N 263.406 3.885 30 20 CHED C=C(C)CSCC(=O)c1[nH]c(C)c(C(C)=O)c1CC 177869687 FCVONVLSFAHZAS-UHFFFAOYSA-N 279.405 3.580 30 20 CHED C=CCC[C@@H](NCCc1cccnc1)c1ccccc1 178756474 PSIQNAQSBALQCQ-GOSISDBHSA-N 266.388 3.921 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC12CCCCC2 179406349 VGBQUNKTXUHMQV-OAHLLOKOSA-N 283.375 3.711 30 20 CHED C[C@@H](C#N)Sc1ccc(C#N)c(C(F)(F)F)c1 180388851 NHKUHAGRNCPIQM-ZETCQYMHSA-N 256.252 3.581 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccccc1 181412501 WQYZNMPLILDWTD-CQSZACIVSA-N 260.381 3.573 30 20 CHED CC[C@@H](CC#N)NCc1csc(-c2cccs2)n1 184095267 NYEXXDFWGRQOLB-JTQLQIEISA-N 277.418 3.653 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1-n1nccc1C 184311562 WEMZYNCFDCBFAL-UHFFFAOYSA-N 295.386 3.888 30 20 CHED Cc1ccc(C)c2c1CCC[C@@H]2NCCCCC#N 186150808 QFGSWZHGNNKNAL-INIZCTEOSA-N 256.393 3.964 30 20 CHED C=CCCCC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 186251230 MOVGYLHOLVVCED-OAHLLOKOSA-N 293.794 3.596 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C1=CCCCCC1 186943730 VVBLOXLWOVGRMI-ZDUSSCGKSA-N 284.359 3.806 30 20 CHED CCCCNc1ccc(C(F)(F)F)cc1NC(=O)CC#N 187306945 ZLPNHAXYYZMUCH-UHFFFAOYSA-N 299.296 3.770 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)c3ccccc32)CCC1 188771595 FZRRXMOSCQPWEM-CYBMUJFWSA-N 255.361 3.883 30 20 CHED CC(C)[C@@H](C)NC(=O)CS[C@@H](C)c1cccc(C#N)c1 190887671 VFRUYJVFMJVYAK-OLZOCXBDSA-N 290.432 3.513 30 20 CHED C=C[C@@](C)(CC)c1nc(COc2ccc(F)cc2)no1 191176699 ZFWGLEVVJZTOMW-HNNXBMFYSA-N 276.311 3.641 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1cccc(O)c1 192243463 CSHMIQJLIOBLJW-CYBMUJFWSA-N 263.381 3.930 30 20 CHED C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(-n2cccn2)c1 192920900 DJBXLLXUYBXDQK-VYDXJSESSA-N 294.402 3.605 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccccc2C#N)ccc1O 194589818 SPDPYVWMTWMWKR-VQHVLOKHSA-N 293.322 3.559 30 20 CHED O=C(NCC#Cc1ccccc1)c1cc2ccccc2s1 198759514 SRRYPIGMTFWCAJ-UHFFFAOYSA-N 291.375 3.683 30 20 CHED C[C@H](NCc1cccc(C#N)c1F)c1ccsc1 221937361 JAIHBPWXKOAPNB-JTQLQIEISA-N 260.337 3.610 30 20 CHED CC(=O)c1ccccc1OCCCCC(C)(C)C#N 232554310 QFUOTPDXYAPOQT-UHFFFAOYSA-N 259.349 3.988 30 20 CHED CC[C@H](C)[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 237032722 FKKIUFLKAWYMPA-MELADBBJSA-N 260.381 3.502 30 20 CHED FC(F)(F)c1ccc(C#CCNCc2ccccc2)cc1 237834505 SWSAOXAZGQIHPT-UHFFFAOYSA-N 289.300 3.847 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2nccs2)C1 249037859 TWBFNUXAKAXXQL-VNQPRFMTSA-N 297.427 3.904 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C\C1CCCCC1 255008864 YODJFFQDQNLHGQ-KTKRTIGZSA-N 268.360 3.942 30 20 CHED N#Cc1cc(F)ccc1NC(=O)/C=C\C1CCCCC1 255024245 HZCDRVPDOARDTP-TWGQIWQCSA-N 272.323 3.772 30 20 CHED O=C(/C=C\c1ccc(N2CCOCC2)cc1)C1CCCCC1 255206804 QEVSNZOOPQUURX-FLIBITNWSA-N 299.414 3.686 30 20 CHED Fc1ccccc1C=NOCc1csc(C2CC2)n1 255594495 QGNXQAGQECVCSQ-UHFFFAOYSA-N 276.336 3.710 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2c2ccccc2)o1 266203594 MBUSWQZGLVUUBM-IAGOWNOFSA-N 266.344 3.577 30 20 CHED C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 266860651 JOAFBUBAYNGTIA-BEFAXECRSA-N 292.382 3.782 30 20 CHED C=CCC(CC=C)C(=O)N(C)C[C@H]1OCCc2ccccc21 268133057 BBMQMTYDKSGPAG-GOSISDBHSA-N 299.414 3.527 30 20 CHED C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)CCO1 271225189 QMJZSDUIXCHHAZ-UNMOCEHJSA-N 288.174 3.685 30 20 CHED COc1ccc2cc([C@@H](C)NCCCC#N)ccc2c1 271801602 SDTQHLWBOHEYJS-CYBMUJFWSA-N 268.360 3.803 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(CC#N)cc1 271907247 XCTJWZUSQZULLB-UHFFFAOYSA-N 269.344 3.564 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCO[C@H](C(C)C)C2)c1C#N 273396136 VSEGUAKUIIIXIL-FZMZJTMJSA-N 293.798 3.531 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2c[nH]c3cc(F)ccc23)C1 274173363 CFCBFDRIPNIMBS-WFASDCNBSA-N 285.366 3.521 30 20 CHED C#CC[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccccc1 274988269 AREIPACKMHKRNK-WBVHZDCISA-N 267.372 3.614 30 20 CHED C#CCC1(C(=O)O[C@@H]2CCc3cccnc32)CCCCC1 277032049 BBOJDRVBXXZVDW-OAHLLOKOSA-N 283.371 3.586 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(F)ccc1C 281154168 BCXXAUMMGMCKKV-LBPRGKRZSA-N 250.317 3.610 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(-c2ccncc2)ccc1C 288458269 SGSGCUPEESFGAW-GOSISDBHSA-N 293.370 3.935 30 20 CHED COCC(C)(C)CCCNc1cc(C(C)=O)ccc1C#N 288468871 KJMAYVOCXZDMFE-UHFFFAOYSA-N 288.391 3.626 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2c[nH]c3ccccc23)no1 289197760 XZDZWYRGFAJHIX-KRWDZBQOSA-N 297.358 3.698 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccccc1C(F)(F)F 291654128 AULBANUCPPQWRY-UHFFFAOYSA-N 297.280 3.639 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(-c3nnco3)cc2)no1 291968084 STIVHMZRZWSYSM-UHFFFAOYSA-N 296.330 3.640 30 20 CHED C=CCOc1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 294616681 SLCFWCOVQKSDCL-SFHVURJKSA-N 296.370 3.664 30 20 CHED Cc1csc([C@H](NCCC(C)(C)C#N)C(F)(F)F)n1 295504890 STKNXCJLDGAXGN-VIFPVBQESA-N 291.342 3.584 30 20 CHED N#Cc1sc(NC[C@H]2C[C@H]3CC[C@H]2C3)nc1Cl 300137043 PPYNIBUEYVCXIM-XHNCKOQMSA-N 267.785 3.516 30 20 CHED CC(C)Oc1cccc([C@H](C)Nc2cccc(C#N)n2)c1 301268858 IVXUYZLCOQZJMY-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED Cc1cc(N(C)C)ccc1CNc1ccc(F)cc1C#N 301396718 NCIMOUSVBJPLLF-UHFFFAOYSA-N 283.350 3.684 30 20 CHED CC[C@H]1CCCCN1c1ccc2cc(C#N)ccc2n1 301993242 ZHUVARSYAJGRTF-HNNXBMFYSA-N 265.360 3.875 30 20 CHED C[C@H](CC#N)N(C)c1cnc2cc(Cl)c(Cl)cc2n1 302144113 GGQZDPZROJHPIT-MRVPVSSYSA-N 295.173 3.675 30 20 CHED C[C@@H](CCNc1ccc(C#N)c(Cl)c1)N1CCCCC1 302182838 SJLHTIZCMINPNI-ZDUSSCGKSA-N 291.826 3.888 30 20 CHED N#Cc1cc(F)ccc1NCCCNc1ccccc1 302737547 PMVYGAUSTPKVQO-UHFFFAOYSA-N 269.323 3.611 30 20 CHED Cc1ccc(Cl)c(OC[C@H](O)c2ccc(C#N)cc2)c1 305348038 VNENVSYNESYIDN-HNNXBMFYSA-N 287.746 3.633 30 20 CHED CC(C)(CNc1nc2c(cc1C#N)CCC2)c1ccccc1 314703575 SCUMKNBDSJRJQQ-UHFFFAOYSA-N 291.398 3.832 30 20 CHED CC1(C)CCC(CNCc2ccc(OCC#N)cc2)CC1 314742538 QAOANGVHGSBJBD-UHFFFAOYSA-N 286.419 3.895 30 20 CHED C[C@]1(/C(O)=N/[C@@H]2C[C@@H]2C2CCCCC2)CCC(O)=NC1 328667673 KZQJNXSHQMSAHG-IOASZLSFSA-N 278.396 3.668 30 20 CHED Cc1nc(C2(/N=C(/O)CC3CCC3)CCCCC2)no1 329621773 NCRPMHUFRJCPFC-UHFFFAOYSA-N 277.368 3.684 30 20 CHED CC(C)(C)c1nnc(C/N=C(/O)[C@@H]2CC23CCCC3)s1 329836697 MRDCEHCKDQXTBK-JTQLQIEISA-N 293.436 3.872 30 20 CHED Cc1nc(N=C(O)Cc2ccsc2C)cc(C2CC2)n1 329972500 ZCEXHSAOJQNDBK-UHFFFAOYSA-N 287.388 3.863 30 20 CHED CC1(C)CCC[C@@H]1C(O)=Nc1cccc2c1C(O)=NC2 330005433 BYVOEQPDACPJIP-LLVKDONJSA-N 272.348 3.919 30 20 CHED OC1=NCCC[C@@H]1SC/C(O)=N/C1CCCCCC1 330195720 PJNIAGBVXBYFMH-LBPRGKRZSA-N 284.425 3.518 30 20 CHED CCN(C(=O)c1sccc1C#N)c1cccc(Cl)c1 335771523 BTWDAVOTCHDCFJ-UHFFFAOYSA-N 290.775 3.940 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(-n2cccc2)c1)OCC 339425247 YVDONINUOPGOEK-QGZVFWFLSA-N 298.386 3.787 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC)c1ccccc1 341185704 AYHAPXGTAZEJPQ-RDJZCZTQSA-N 288.435 3.540 30 20 CHED N#Cc1csc(CN2CCC=C(c3ccccc3)C2)c1 342823721 WZPFZJUZOKOWNT-UHFFFAOYSA-N 280.396 3.909 30 20 CHED C=CCCOCCCCC(=O)NC1(c2ccccc2)CC1 342838681 IJOSTMOGHLYTCA-UHFFFAOYSA-N 287.403 3.555 30 20 CHED Cc1ccnc(NCc2coc3ccccc23)c1C#N 343438895 NJWSYECNHUHECT-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 343508003 PBXWNAOKWDUJCV-CZUORRHYSA-N 274.364 3.917 30 20 CHED CCOc1cccc([C@@H](C)Nc2nccc(C)c2C#N)c1 343521763 FMTYDCNHWCZNEU-CYBMUJFWSA-N 281.359 3.834 30 20 CHED C[C@H]1C[C@@H](CCNC(=O)c2cnccc2C#N)CC(C)(C)C1 345391581 PBAGOJYZSBMYEC-UONOGXRCSA-N 299.418 3.536 30 20 CHED CCN(Cc1cc(C)c2ncccc2c1)C[C@H](C)C#N 346223888 UYPJXRDVDSWVLY-CYBMUJFWSA-N 267.376 3.525 30 20 CHED COC(=O)c1csc([C@H](C)NCC(C)(C)CCC#N)c1 348213930 JNSYXZVIEQBBSM-NSHDSACASA-N 294.420 3.515 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccsc1C 352826124 ACIWTYWLDIUACF-UHFFFAOYSA-N 272.373 3.939 30 20 CHED Cc1ccc(C(=O)N(C)CC(C)(C)C#N)c(Cl)c1C 353290337 RQNJNQHNXGGLTH-UHFFFAOYSA-N 278.783 3.579 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)CCC#N)C1CCCCC1 353719147 APTFBRWURRMIKP-CYBMUJFWSA-N 279.428 3.584 30 20 CHED C=C[C@@H](C)NC(=O)c1cscc1-c1ccccc1 355035274 IBQRHXVDJPYSLH-LLVKDONJSA-N 257.358 3.719 30 20 CHED CCCC1(C(=O)Nc2cc(C#N)ccc2NC)CCC1 355655818 MBTQBXPTFOIPOQ-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C=C(C)[C@H](NC(=O)c1c[nH]cc1C)c1ccc(F)c(F)c1 355735785 TWUXCTXLRGYENH-HNNXBMFYSA-N 290.313 3.649 30 20 CHED C=CCCC1(C(=O)N[C@H]2COc3ccc(Cl)cc32)CC1 356432984 OFQYASLMKYYFGI-ZDUSSCGKSA-N 291.778 3.636 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 357003379 QEPDHWLQNZQORE-UHFFFAOYSA-N 293.326 3.650 30 20 CHED COCCCCCSc1ccc(C#N)cc1F 358072348 YTXGTXNGCOVDAG-UHFFFAOYSA-N 253.342 3.606 30 20 CHED C=C(CC)CSCc1noc(-c2cccs2)n1 358632638 FUEKFJLTGWLOEY-UHFFFAOYSA-N 266.391 3.998 30 20 CHED C=C(CC)CSCC(=O)N(C)Cc1ccccc1C 358637466 OCSVTKGTPKAWKL-UHFFFAOYSA-N 277.433 3.653 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 362507535 AYIBCPUHYILNLC-CGTJXYLNSA-N 294.398 3.641 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 363332386 XMPPAUPCAGENBL-IRXDYDNUSA-N 282.387 3.641 30 20 CHED CC(C)(C#N)CC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 377306175 UMNDQDSYYOHEOG-QFBILLFUSA-N 296.414 3.854 30 20 CHED CCCCCCCCNC1CCC(C(=O)OC)CC1 382280674 KOWQDUHLHSEVEX-UHFFFAOYSA-N 269.429 3.668 30 20 CHED C=CC(C)(C)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 384900389 AENDJIRGOWCLOB-AWEZNQCLSA-N 262.353 3.848 30 20 CHED C=CC(C)(C)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 384900394 AENDJIRGOWCLOB-CQSZACIVSA-N 262.353 3.848 30 20 CHED Cc1ccsc1[C@@H](C)NCc1ccc(C#N)c(F)c1 404862330 XCXSSAXXABLQEH-LLVKDONJSA-N 274.364 3.918 30 20 CHED N#CCCCC(=O)N1CCCc2c(Cl)ccc(Cl)c21 411080346 IXHRPQZUXDICSV-UHFFFAOYSA-N 297.185 3.966 30 20 CHED CC1(C)CCCN(CCC2(C#N)CCCCC2)[C@@H]1C#N 411633315 ITLGVPNYBUGWSP-OAHLLOKOSA-N 273.424 3.865 30 20 CHED CCC[C@H](NC(=O)[C@@H](C)SCCC#N)c1ccccc1 413016598 WMTNZCFUNBUQMB-HIFRSBDPSA-N 290.432 3.679 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)CC1CCOCC1 414300008 KKHYLDGADFCKPH-QFBILLFUSA-N 287.447 3.969 30 20 CHED N#CC1(CNCc2cc(F)cc(C(F)(F)F)c2)CCC1 418141585 LIHSEVJGWQCCHV-UHFFFAOYSA-N 286.272 3.628 30 20 CHED CC(C)C(C)(C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425637894 MFMYFXHJGJPSEV-ZDUSSCGKSA-N 272.392 3.760 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425641452 VOUKMVGJKPXECQ-PMUMKWKESA-N 284.403 3.904 30 20 CHED N#CCCN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 426003180 REYNAPHRILOYMK-ZIAGYGMSSA-N 282.309 3.845 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)CCCC(F)(F)F 426396091 LYCXLUGFIZXMSZ-NEPJUHHUSA-N 292.345 3.858 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(OC)cc2)no1 426460149 MEHWHLLGISTWBQ-UHFFFAOYSA-N 258.321 3.599 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(F)cc1C#N 435161575 DUHRQZZIHGGQSO-QWRGUYRKSA-N 277.343 3.644 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCC1(CCOC)CCCCC1 435743013 XWEVNSBVHKSOHQ-IAGOWNOFSA-N 295.467 3.544 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(O)c(Cl)c2)n1 436566060 PAFWQUHVLRALSV-UHFFFAOYSA-N 278.739 3.949 30 20 CHED C=CCC[C@H](CC)NC[C@H]1Cc2ccccc2N(C)C1 437107593 PYFOVQBEGBQPGE-WBVHZDCISA-N 272.436 3.630 30 20 CHED N#C[C@@H]1CC[C@H](NCCCSc2ccc(F)cc2)C1 442636552 TXNODDFYZQVEGM-OCCSQVGLSA-N 278.396 3.590 30 20 CHED N#C[C@H]1CC[C@@H](NCCCc2cccc(Cl)c2)C1 442849782 CPKIBCLZIQWBEK-DZGCQCFKSA-N 262.784 3.554 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(CC(F)(F)F)cc2)C1 442864882 SHRADJINEYSPCT-WCQYABFASA-N 268.282 3.896 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 442877134 QYEFRDBZVZUHJN-XABYNWHXSA-N 274.795 3.868 30 20 CHED CCCCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cn1 446803218 JWZAVCMDJCIVOV-UONOGXRCSA-N 273.380 3.755 30 20 CHED C=CC1CCN(Cc2cnc(C(F)(F)F)s2)CC1 447742879 RHFOPNGQKKVIHL-UHFFFAOYSA-N 276.327 3.560 30 20 CHED C=CCC1(C(=O)N=c2cc[nH]cc2CC)CCCCC1 449893220 VWGHNPMEECSCHP-UHFFFAOYSA-N 272.392 3.531 30 20 CHED N#CC1(CNC2(c3cccc(C(F)(F)F)c3)CC2)CCC1 450555629 LUXKPZQSJFPDBQ-UHFFFAOYSA-N 294.320 3.978 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(OC)ccc1Cl 454625979 ZLXUFGYNPWLXSO-UHFFFAOYSA-N 282.771 3.682 30 20 CHED C=CCC1(NC(=O)CCc2c(C)noc2C)CCCCC1 456376781 FOYRPJVTSDYVMJ-UHFFFAOYSA-N 290.407 3.619 30 20 CHED C=CCC1(CNC(=O)c2ccc(SC)o2)CCCC1 456483661 HPONWJBCJOAKRI-UHFFFAOYSA-N 279.405 3.868 30 20 CHED CCc1cc(C(=O)Nc2cccc(CC#N)c2)sc1C 456732183 MXXSOJQCOJFNPE-UHFFFAOYSA-N 284.384 3.937 30 20 CHED Cc1nc(N2CC(C3CCCC3)C2)c(Cl)cc1C#N 461975804 ZYNIIMHCDUJBBY-UHFFFAOYSA-N 275.783 3.542 30 20 CHED C=C[C@H](C)NC(=O)c1cc(C(C)C)nc2ccccc12 465145149 HTAXCOFDXBNILS-LBPRGKRZSA-N 268.360 3.663 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(Cl)cc1 467737204 HTZBVBARJSPUEG-UHFFFAOYSA-N 277.795 3.767 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2ccc(OC)cc21 469749577 VBZMOLHZSTVJRT-CZUORRHYSA-N 287.403 3.586 30 20 CHED C=CCC[C@H](O)CN1CCC(=Cc2ccccc2F)CC1 472955308 QFYQULBWSYSHFV-KRWDZBQOSA-N 289.394 3.632 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1C 474081087 JCWLECZPROLVLI-KBPBESRZSA-N 252.402 3.563 30 20 CHED CCCC[C@H](SCc1ccc(C#N)cc1)C(=O)OC 475870155 LUEROZBPQSAQTO-AWEZNQCLSA-N 277.389 3.523 30 20 CHED C=CCOCCCS[C@@H](C)c1cccc([N+](=O)[O-])c1 479599190 NRFQBDBWBPLQCM-LBPRGKRZSA-N 281.377 3.982 30 20 CHED C=CCCCC(=O)Nc1ccc(F)c(Br)c1 479940382 KJZLGICMCDQRBB-UHFFFAOYSA-N 286.144 3.883 30 20 CHED N#Cc1cc(Cl)ccc1CNc1cccc2c1CCO2 480309589 SBQRKPNHEYYQDF-UHFFFAOYSA-N 284.746 3.759 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCCO[C@H]1CC(C)C 480737730 VZRFXPVIPYFUGS-JYJNAYRXSA-N 253.430 3.915 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCC2(CCCCC2)O1 481630187 PEYAENHAPLSNQM-MRXNPFEDSA-N 291.435 3.753 30 20 CHED CC#CCCNC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 483427213 QULKOLQMNLNEST-FUHWJXTLSA-N 298.430 3.891 30 20 CHED C[C@@H](COc1cccc(F)c1)Nc1ccc(F)cc1C#N 485875888 PTAHGJJKWGJKRH-NSHDSACASA-N 288.297 3.716 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 487729364 MCPUFSPQYOFGJU-IAGOWNOFSA-N 286.419 3.930 30 20 CHED Cc1nc(N2CC[C@@H](c3ccccc3)[C@@H](C)C2)ccc1C#N 488048711 KQHJLXNKQPNSMI-KBXCAEBGSA-N 291.398 3.892 30 20 CHED C=C(C)CNC(=O)N[C@H](CC1CCC1)c1ccccc1 488548690 VHQFCXLTFSSILR-MRXNPFEDSA-N 272.392 3.793 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)c1cccc(OCC)c1 488981021 MRBXJVZFCNUUFE-AWEZNQCLSA-N 298.386 3.564 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1ccccc1Cl)OCC 489571777 LSMQMERLCPVTDS-DOMZBBRYSA-N 295.810 3.889 30 20 CHED CC(C)[C@H]1N(C(=O)NCC(C)(C)CCC#N)CC12CCC2 491149657 QOPUCKDOVVSASQ-CQSZACIVSA-N 291.439 3.536 30 20 CHED CC(C)(CCC#N)CNC(=O)/C=C/c1ccc(Cl)cc1 492843124 SWJXVZQYAAVJQU-RMKNXTFCSA-N 290.794 3.799 30 20 CHED COc1cc(C#N)ccc1COc1ccc(OC(C)C)cc1 500844045 QNUUXBQELSYQGA-UHFFFAOYSA-N 297.354 3.933 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)o2)CC1 504198802 DCIGZURWGWDZTF-QWHCGFSZSA-N 288.391 3.876 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)o2)CC1 504198803 DCIGZURWGWDZTF-STQMWFEESA-N 288.391 3.876 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Cc2c(F)cccc2C#N)c1 507749908 SRZBDUIITHGJOR-UHFFFAOYSA-N 296.345 3.520 30 20 CHED C=C(C)CCc1noc(C2=Cc3cc(F)ccc3OC2)n1 508667936 VZOWWWTYNZIMGA-UHFFFAOYSA-N 286.306 3.650 30 20 CHED N#Cc1ccc(CNC2(C(F)F)CCCCC2)cc1F 510088736 UBTFJDUKEPLUPU-UHFFFAOYSA-N 282.309 3.755 30 20 CHED N#CC1(F)CCN(Cc2ccc(Cl)cc2Cl)CC1 510874124 XVWAWOZVWIVZNW-UHFFFAOYSA-N 287.165 3.821 30 20 CHED CCCN(CC#N)Cc1c(C)cc(Cl)cc1C 511522900 DNUJBRRYAWCRLX-UHFFFAOYSA-N 250.773 3.692 30 20 CHED COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1Cl 514855369 RBLAIOJUJACPAK-GMXVVIOVSA-N 278.783 3.691 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 520637624 WTRZKMJVHNLNBO-SECBINFHSA-N 288.174 3.913 30 20 CHED CCOc1ccc(CN2CCC(CCC#N)CC2)cc1 521621312 VCXRCZBAGCGOOW-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C=CCCC(=O)Nc1ccc2oc(C(C)C)nc2c1 522533049 SOFHRDHACGUJPP-UHFFFAOYSA-N 258.321 3.856 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1[C@@H](C2CC2)[C@H]1C 528126822 XYYLYWGTZSGMNR-CSMYWGQOSA-N 287.378 3.632 30 20 CHED C=C[C@@](C)(CC)c1nc(C(C)(C)c2cc(C)ccn2)no1 528262732 MGMHHEVPENKFDN-KRWDZBQOSA-N 285.391 3.953 30 20 CHED C=CCC[C@@H](CCC)NCCc1c[nH]c2ncccc12 540147995 FKBHNHNFYFGSFY-OAHLLOKOSA-N 271.408 3.830 30 20 CHED Cc1ccc(CCN(CC(F)(F)F)CC2(C#N)CC2)cc1 540549369 LYKLYQYXMZYFEO-UHFFFAOYSA-N 296.336 3.706 30 20 CHED Cc1ccnc(N[C@@H]2c3ccccc3CC[C@H]2C)c1C#N 541351176 KPTCCJOYEYJQFO-DYVFJYSZSA-N 277.371 3.997 30 20 CHED C[C@H](CNC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 542646397 VDFPCZFCCBKPDA-CQSZACIVSA-N 293.370 3.678 30 20 CHED C=CCCO[C@H](C)C(=O)N(CCCC)C1CCCCC1 553335863 XDNJWOUMRLDPIV-OAHLLOKOSA-N 281.440 3.929 30 20 CHED CC[C@](C)(C#N)C(=O)NCC1CCC(C(C)(C)C)CC1 556918788 WFVSUWYPCRAPBV-MQBCKMQZSA-N 278.440 3.895 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)NCC(C)(C)CCC#N 557999390 DETYEIZAWZNBAC-KBPBESRZSA-N 264.413 3.649 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC1(c2cccc(OC)c2)CC1 560570296 AEOFOBUNDFEJKN-ZIAGYGMSSA-N 259.393 3.875 30 20 CHED Cn1ccc2c(NCc3ccc(F)c(C#N)c3)cccc21 563925855 REJBVKZPLSBECX-UHFFFAOYSA-N 279.318 3.801 30 20 CHED N#CCCC1CCN(Cc2ccsc2Cl)CC1 564991110 ZHKMEUPBTPDUGD-UHFFFAOYSA-N 268.813 3.917 30 20 CHED N#Cc1ccc(F)c(CN2CCCc3cc(C#N)ccc32)c1 566952692 VZSMYFOBQDSFMS-UHFFFAOYSA-N 291.329 3.522 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C)c(C(C)=O)c1 568659743 ISBJWHGZCVSDAD-UHFFFAOYSA-N 274.364 3.628 30 20 CHED Cc1ccc(C[C@H](C#N)SCC(=O)C(C)(C)C)cc1 572362601 TYTZXORXILBVAT-CQSZACIVSA-N 275.417 3.778 30 20 CHED C=CCN(Cc1cc(C(=O)O)co1)CC1CCCCC1 576830856 XNSCOAMTOFHJPZ-UHFFFAOYSA-N 277.364 3.546 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)cn2)C(C)C)s1 579321677 VVVGVKHXQKPSDH-UHFFFAOYSA-N 285.416 3.734 30 20 CHED Cc1csc(NC(=O)N2C[C@H](C)CC(C)(C)C2)c1C#N 582070602 QEFVFXSVPGGWBL-SNVBAGLBSA-N 291.420 3.828 30 20 CHED Cc1c(NC(=O)C[C@@H]2CCCC[C@H]2C)ccc(C#N)c1C#N 582414133 SBFYEIOOWKVENB-OCCSQVGLSA-N 295.386 3.893 30 20 CHED CC(C)C1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 584380804 SQHXTGJYKZXQBV-UHFFFAOYSA-N 289.354 3.597 30 20 CHED Cc1oc(C)c(C(=O)N[C@](C)(C#N)C2CCCCC2)c1C 585699290 FIKDZUOHOKOOQO-QGZVFWFLSA-N 288.391 3.797 30 20 CHED Cc1cccnc1[C@H](NC(=O)CCCCCC#N)C(C)C 588460444 MXNDQIFKFRABHQ-MRXNPFEDSA-N 287.407 3.677 30 20 CHED Cc1cc(Cl)ccc1/C=C\C(=O)c1cnn(C)c1C 588476541 RGYMOMDJFHPHLB-ALCCZGGFSA-N 274.751 3.586 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCCCCC#N 591808506 UNPUNRXETYMKCZ-AWEZNQCLSA-N 283.375 3.552 30 20 CHED CCCCN(C(=O)[C@@H](C#N)CC)[C@@H](C)c1ccc(C)o1 593433622 HPWZTVUALYIELG-UONOGXRCSA-N 276.380 3.828 30 20 CHED CC[C@H](C#N)C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 593745439 ZOJYJGNQUYOKQV-UKRRQHHQSA-N 270.376 3.536 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCc1c(Cl)cccc1Cl 593996619 YWQIJAIAFLDBCC-AWEZNQCLSA-N 299.201 3.734 30 20 CHED CCc1nc([C@H](C)N[C@@H](C#N)c2ccccc2)cs1 595429494 OVUWSAGKAAQBJN-AAEUAGOBSA-N 271.389 3.621 30 20 CHED N#Cc1cccc(OCCN2CC[C@H]2c2ccc(F)cc2)c1 595704351 PTFYFOWBWAKVKV-SFHVURJKSA-N 296.345 3.523 30 20 CHED Cc1cccc2nc(N3CCC[C@H](CC#N)C3)sc12 596331005 WLQVKRUOOJFYMW-GFCCVEGCSA-N 271.389 3.735 30 20 CHED CC[C@@H]1CC[C@@H](C)N(c2ncc(C#N)cc2Cl)C1 596495453 BYDLUXACIWRXKX-GHMZBOCLSA-N 263.772 3.622 30 20 CHED C[C@@H]1N(C(=O)NCC2(C#N)CCC2)c2ccccc2C1(C)C 596632765 NFEGKMMWQSEHPN-ZDUSSCGKSA-N 297.402 3.576 30 20 CHED C/C(=C/c1ccccc1)CN1CCC[C@H](CC#N)C1 597173350 JFAJXSVRNNQQOP-MLRPBERTSA-N 254.377 3.716 30 20 CHED C[C@H](C#N)N(C(=O)C1CCC(c2ccccc2)CC1)C1CC1 598128735 OURREFOSPVNHHK-ODIFPOPNSA-N 296.414 3.863 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)[C@@H](C)C#N 598559757 ZBUHHZNRVKTVFL-UONOGXRCSA-N 252.402 3.601 30 20 CHED Cc1ccc(CN(C[C@H](O)CC(C)(C)C#N)C(C)C)s1 598588187 ZCFXEYOBJVCYEE-CQSZACIVSA-N 294.464 3.568 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCC[C@@H](CC)C2)cc1 607077830 SAZFILQJINYFLQ-ZBFHGGJFSA-N 287.403 3.950 30 20 CHED C=CCCNc1ccccc1OC[C@H]1CCCCO1 607149951 DLSZZJWZUNYIFX-CQSZACIVSA-N 261.365 3.623 30 20 CHED Cc1cccc2sc(C(=O)NC3(C#N)CC3)c(Cl)c12 609990993 YWNAIQZVNWHQLX-UHFFFAOYSA-N 290.775 3.649 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)cs1)C1CCCCC1 610614972 LIQDIHLXTFQZQQ-ZDUSSCGKSA-N 276.405 3.708 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@H]1CCCCC1(C)C 611029859 LNKKEWCFBBKQEY-CQSZACIVSA-N 264.413 3.744 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cncc3ccccc23)C1 613255943 YBRMTPVZIDIVMT-TZMCWYRMSA-N 251.333 3.729 30 20 CHED C=CCNC(=O)Nc1cc(Cl)c(C)c(Cl)c1 620546018 LEQCGQVAWRJYDT-UHFFFAOYSA-N 259.136 3.609 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCc1c(F)cccc1F 653766489 DUOHBJPYUPPVDV-CYBMUJFWSA-N 293.357 3.855 30 20 CHED C=CCCOCC(=O)Nc1ccccc1OCCC(C)C 654029351 LRGDRQDCVYKMSX-UHFFFAOYSA-N 291.391 3.643 30 20 CHED C=CCCN[C@H](C)Cc1ccc(F)cc1Br 657584134 YOCBZMNRJZHQBA-SNVBAGLBSA-N 286.188 3.685 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCC1=CCCC1 661965513 SXNGASUWPHQDIV-UHFFFAOYSA-N 284.403 3.537 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](C)C1 670209032 CRBQBGUKJCIXNI-HNNXBMFYSA-N 296.418 3.758 30 20 CHED C=CCN(C(=O)[C@H]1Cc2ccc(F)cc21)c1ccccc1 684627176 GSYWUMYKMWUUHT-KRWDZBQOSA-N 281.330 3.685 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 684939219 MTNZXTSMHLIRQI-VNHYZAJKSA-N 275.392 3.807 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCc2c(C)cccc21 685547507 FYVUJCHXDXQWNN-UHFFFAOYSA-N 294.402 3.734 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@H]2CCC[C@H](C)C2)c1 726455636 DLSKVFSCVOIICB-BBRMVZONSA-N 286.444 3.875 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cccs2)c(Cl)c1 727652411 ZFAMRMXJFYNQLI-UHFFFAOYSA-N 281.724 3.756 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)ccc1O 728230172 AVPUUTZPFAFFQV-DAXSKMNVSA-N 298.338 3.701 30 20 CHED C#Cc1cccc(N(C(=O)CSCCCC)C(C)C)c1 728246654 CUMHLKAXXYMKCS-UHFFFAOYSA-N 289.444 3.943 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](CC)CCCC)c1 728482457 PFBGPTWZNMYOLL-HNNXBMFYSA-N 257.377 3.847 30 20 CHED Cc1cc(C=NNCc2ccc(F)c(F)c2)ccc1F 729141794 GELKXVMMGTZGHX-UHFFFAOYSA-N 278.277 3.536 30 20 CHED CC[C@H](CC(=O)OCc1cc(C#N)ccc1F)C(C)C 729764562 YZNZERFZQNTXBQ-CYBMUJFWSA-N 277.339 3.813 30 20 CHED Cc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc1F 731490432 WZRQLCRKWAEPBS-CHHVJCJISA-N 284.286 3.764 30 20 CHED CC[C@H](C)CN(C)C(=S)Nc1ccc(C#N)c(Cl)c1 731942564 VTAHDPNSYJSKTI-JTQLQIEISA-N 295.839 3.886 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)Cc2ccno2)c1 732198961 CKOFVTLMBNZMEN-UHFFFAOYSA-N 288.350 3.863 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F 733979050 JFVRVOLPLLLICQ-UHFFFAOYSA-N 295.357 3.943 30 20 CHED N#Cc1cnc(Oc2ccc3ccc(=O)oc3c2)c(Cl)c1 734142184 TUBBGOOSGWGFGB-UHFFFAOYSA-N 298.685 3.505 30 20 CHED C#CCOc1ccc(NC(=O)/C=C/C2CCCCC2)cc1 735440667 LUWBELPMYXJOTH-MDWZMJQESA-N 283.371 3.774 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C3CCCCC3)[nH]c12 735790402 XGIKBWRDQVZNKY-CYBMUJFWSA-N 281.359 3.628 30 20 CHED Cc1cc([C@H]2CCCN2c2cc(Cl)ccc2C#N)no1 736283751 AFFCYJZSUHCOID-CQSZACIVSA-N 287.750 3.850 30 20 CHED CC[C@H](/N=C\c1cccc(O)c1O)c1cc(F)ccc1F 740763335 HFBKAJDIQCNEPG-GPMKDSKKSA-N 291.297 3.946 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccccc2C#N)C1 740797143 HQLGDUSVJZUPNG-CRYPRFJLSA-N 282.387 3.656 30 20 CHED O=C1/C(=C\c2cc(F)c(F)c(F)c2)Oc2ccccc21 742436096 HJQCNDLRCKYQGX-NTUHNPAUSA-N 276.213 3.720 30 20 CHED C[C@@H](C/N=C/c1cccc(O)c1O)Sc1ccccc1 743044783 RAINWVOEJADCSB-OOIIIRTPSA-N 287.384 3.698 30 20 CHED CCCCCCCC(=O)N1C[C@@H](C(F)(F)F)O[C@H](C)C1 744732535 VDAMNWJBPHGUGX-NEPJUHHUSA-N 295.345 3.525 30 20 CHED CC#CCOC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 744900096 RBNVMJFWRMKIAH-KHPPLWFESA-N 282.261 3.675 30 20 CHED Cc1ccc(F)c(C=NNc2cc(F)c(F)c(F)c2)c1 747641675 DDAHYCWKDQARQE-UHFFFAOYSA-N 282.240 3.997 30 20 CHED C[C@H]1CC(=NNc2ncccc2Cl)C[C@H](C)C1 747753731 VJYHWGIQZLVDST-NXEZZACHSA-N 251.761 3.959 30 20 CHED C=CCC[C@@H](NCc1ccc(N(C)C)cc1)C1CC1 747859283 MGTDCJGZOHUOLI-QGZVFWFLSA-N 258.409 3.587 30 20 CHED C/C(=C\C(=O)N[C@@H](C#N)C1CCCCC1)C(C)(C)C 748720309 SHJDGCRBCYJNDW-WONIAPNHSA-N 262.397 3.567 30 20 CHED CCCCCCCCN1CCO[C@@H]2C[C@H](N(C)C)CC[C@@H]21 749535090 GTXDFQSPHYWYKX-FGTMMUONSA-N 296.499 3.530 30 20 CHED COc1ccc(NN=Cc2ccc(OC(C)C)cc2)cc1 750923965 IIIANBMTWVEZLB-UHFFFAOYSA-N 284.359 3.928 30 20 CHED CCc1cccc2c1OCC[C@H]2/N=C/c1cccc(O)c1O 750950202 QANCKZDAMGGGAO-SKCQWOFPSA-N 297.354 3.603 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1cccc(Br)c1 751519694 AKRJEKMFGDAWHX-NSHDSACASA-N 297.196 3.664 30 20 CHED CCc1ccc(C(C)=NNc2nncc3ccccc23)o1 752154913 LXQCGKONLUWMJJ-UHFFFAOYSA-N 280.331 3.621 30 20 CHED Cn1c(Cl)cnc1/C=C\C(=O)c1ccc(F)c(Cl)c1 752884195 CPBQHLWNERAGNO-PLNGDYQASA-N 299.132 3.762 30 20 CHED C=C(Cl)CSCc1cn2cc(Cl)ccc2n1 753127231 QHYBDAFTEBFVJQ-UHFFFAOYSA-N 273.188 3.973 30 20 CHED C#C[C@@H](CC)NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 753266549 RPCAZNPYRKGLMQ-NSHDSACASA-N 299.201 3.547 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2c(s1)-c1ccccc1CC2 753416278 PLRGWQIWIRSPQH-CYBMUJFWSA-N 297.379 3.973 30 20 CHED COc1ccc(NN=C[C@@H]2C[C@H]2c2ccccc2)cc1 755800695 DYGZCEIVJBABIV-YOEHRIQHSA-N 266.344 3.897 30 20 CHED C[C@@H]1CCCC[C@@H]1N1CCC(=NO[C@@H]2CCCCO2)CC1 755816385 FLPLKWDQGNGHMF-HYVNUMGLSA-N 294.439 3.560 30 20 CHED Cc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c(O)c1 756627245 SOOGWXFIPOHAQJ-KGLIPLIRSA-N 280.371 3.984 30 20 CHED C#CC[C@H](NC(=O)N(C)c1ccc(F)cc1)c1ccccc1 757776780 QJAZRGMMRBZOKA-KRWDZBQOSA-N 296.345 3.736 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ncc(C(F)(F)F)cc1Cl 758359754 RFTXCTANPBQHLD-RNFRBKRXSA-N 277.677 3.808 30 20 CHED C/C(=C\C(=O)OCc1ccc(F)c(C#N)c1)C(C)(C)C 758954332 NEHHVJJZLCMJOS-YRNVUSSQSA-N 275.323 3.733 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2CC23CCC3)n1 759852274 XEUGBXCKXXALTF-GHMZBOCLSA-N 274.389 3.633 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1cnccn1)CCC2 760249854 HPPVAEKSJRUFFC-UHFFFAOYSA-N 280.375 3.753 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(-n3cccn3)c2)o1 760261384 AVLFEEGXKRXVBE-BQYQJAHWSA-N 278.311 3.670 30 20 CHED C#CCOc1ccccc1-c1noc(-c2sccc2C)n1 761994706 AKIRGJIBYMQXMG-UHFFFAOYSA-N 296.351 3.786 30 20 CHED C#CCCc1noc(C[C@@H](c2ccccc2)C(F)(F)F)n1 762018045 UHNFFDPHGXXGBL-LBPRGKRZSA-N 294.276 3.524 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc2c(c1)-c1ccccc1C2 762721634 BRASPYUIVVLFCZ-MRXNPFEDSA-N 290.366 3.680 30 20 CHED CCCCCCC[S@@](=O)c1cccc(OC)c1 764554857 YKSZUBCZTSUQNS-QGZVFWFLSA-N 254.395 3.773 30 20 CHED CCc1ccc(C(C)=NOCC(F)(F)F)s1 764834492 CVGPJQUMFZKNNO-UHFFFAOYSA-N 251.273 3.613 30 20 CHED CC(C)n1cc2c(n1)[C@H](/N=C\c1ccccc1O)CCC2 764888668 SEEPOOAUSVQHIZ-YQYFLZKSSA-N 283.375 3.666 30 20 CHED CCn1cc(/C=C2/C(=O)c3ccccc3[C@H]2C(C)C)cn1 766507729 XBIMSMTULXNOFY-JDZKTDJGSA-N 280.371 3.923 30 20 CHED C=CC[C@@H]1N(C(=S)N[C@@H](C)CC)CCCC1(C)C 766525965 STXVESURBJEPAE-STQMWFEESA-N 268.470 3.726 30 20 CHED CC#CCCCC(=O)Oc1ccc(C)cc1Br 767046683 TTXBJFSVBVPCHE-UHFFFAOYSA-N 295.176 3.857 30 20 CHED C#C[C@H](C)N(C)C(=O)Cc1coc2ccc3ccccc3c12 767252619 HMOONHUWJUNWCM-ZDUSSCGKSA-N 291.350 3.609 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)CC(F)(F)F)cc1 768273239 XYUWNDSXFPNOKW-RYUDHWBXSA-N 285.309 3.690 30 20 CHED C(CC[C@@H]1C[C@H]2CC[C@H]1C2)=NOCc1cccnc1 768784643 SNHLCKMXGILZHF-BMFZPTHFSA-N 258.365 3.800 30 20 CHED Fc1ccc(OCCON=Cc2cccs2)c(Cl)c1 769555653 GUWNFFDXCSYLER-UHFFFAOYSA-N 299.754 3.970 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cccs2)c(F)c1 772803864 VOSWLAGHZMSCAB-WAYWQWQTSA-N 257.289 3.655 30 20 CHED C#C[C@H](C)NC(=O)N(CCC)[C@@H](CC)c1ccccc1 773592178 DQWIMTHKTYCMOB-HOCLYGCPSA-N 272.392 3.581 30 20 CHED Cc1ccc(/C=C2/CC(=O)Nc3ccccc3C2=O)cc1 774144515 JYQCWIZFCZGQRI-UVTDQMKNSA-N 277.323 3.604 30 20 CHED C#C[C@H](C)N(C)Cc1cc(Cl)cc(C(F)(F)F)c1 775184524 XEGZYWMGKGAOCV-VIFPVBQESA-N 275.701 3.812 30 20 CHED N#CCc1ccc(COC(=O)c2ccc3[nH]ccc3c2)cc1 776114965 ZWYVJOILIHUQNN-UHFFFAOYSA-N 290.322 3.591 30 20 CHED N#C[C@H](OC(=O)CCc1ccccc1F)C1CCCCC1 776362714 RKXNLZNXMUGXOA-INIZCTEOSA-N 289.350 3.774 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1CCSc2ccccc21 776390062 TVULJONTJYHSPL-ZDUSSCGKSA-N 289.400 3.749 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1SCCc2ccccc21 776392129 VFKRLYYGUMVRBA-CQSZACIVSA-N 289.400 3.500 30 20 CHED CC1(C)C(=NNc2ccccn2)C[C@H]1OCc1ccccc1 776759431 OOLDXSAQAPGGIF-MRXNPFEDSA-N 295.386 3.865 30 20 CHED C(=NOC1CCCCC1)c1c[nH]nc1-c1ccccc1 777456761 GUOPKXXZNGOUCU-UHFFFAOYSA-N 269.348 3.760 30 20 CHED C=CC[C@H](C(=O)NCCSC(C)(C)C)c1ccccc1 777740573 YRGKFZZABRXNHF-HNNXBMFYSA-N 291.460 3.994 30 20 CHED COc1cccc2c1C/C(=C/c1cc(F)ccc1C)C2=O 777917843 GWLXFPGQJHOUDN-JYRVWZFOSA-N 282.314 3.965 30 20 CHED CC(C)OCCNN=Cc1ccccc1-c1ccccc1 778547423 GYWQQVYMSKFNCF-UHFFFAOYSA-N 282.387 3.702 30 20 CHED C=C(C)[C@H](CC(=O)OCCCc1cccc(F)c1)OCC 778834829 DKSJUXGVWTULOW-INIZCTEOSA-N 294.366 3.673 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1Cc1ccccc1 779771432 QPKLGEBIDASBKK-SFHVURJKSA-N 283.415 3.804 30 20 CHED CC(C[C@@H](C)CC(C)C)=NN=C(C)c1cnccn1 779775382 ZWLLRZNSOZIZJZ-LBPRGKRZSA-N 260.385 3.734 30 20 CHED C[C@H]1CC(C)(C)CCC1=NN[C@H]1CCOC(C)(C)C1 780251520 VARMUACXHRXADB-STQMWFEESA-N 266.429 3.736 30 20 CHED CC(CCc1cccc(F)c1)=NNc1ncncc1Cl 780278544 CVMIVUOCPLXLMM-UHFFFAOYSA-N 292.745 3.690 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(N2CC=CC2)cc1 783854311 YTEWYJDYZBDDQP-UHFFFAOYSA-N 298.386 3.550 30 20 CHED CCCCCCCCCOC(=O)c1cc(C)ncn1 786111448 YIKLBRBOCJGNLN-UHFFFAOYSA-N 264.369 3.692 30 20 CHED N#CCc1ccc(COC(=O)c2csc(Cl)c2)cc1 786346757 DKJMWIGLDBASBT-UHFFFAOYSA-N 291.759 3.825 30 20 CHED C[C@@H](CC(=O)OCCCCC#N)c1c[nH]c2ccccc12 786417850 LOWRJVSIUBREHE-ZDUSSCGKSA-N 284.359 3.899 30 20 CHED CCC(CC)CNN=C(C)c1cnn(C(C)C)c1C 787163963 ZPCNNTXMBQKOOB-UHFFFAOYSA-N 264.417 3.522 30 20 CHED C[C@H](CC(=O)OCC1(C#N)CC1)c1c[nH]c2ccccc12 787229677 UQJMJRBNRVDLNS-GFCCVEGCSA-N 282.343 3.508 30 20 CHED C[C@@]1(C#N)CCCN(c2ccnc3c(F)cccc23)C1 788855499 QNQGNIHGPJATIH-INIZCTEOSA-N 269.323 3.504 30 20 CHED C#CCCCCC(=O)Nc1cccc2c1OC(C)(C)C2 789440381 MICAIZIWJOIMEO-UHFFFAOYSA-N 271.360 3.532 30 20 CHED CC(C)O[C@@H](C=NOC/C=C/Cl)c1ccccc1 793054964 IQRBVPKRURTOGX-CCVCTCOZSA-N 267.756 3.908 30 20 CHED C[C@@H](NN=Cc1csc(-c2ccccn2)n1)C(C)(C)C 793117548 XJIMFFZIWMRWIU-LLVKDONJSA-N 288.420 3.563 30 20 CHED Clc1cccc(NN=C[C@H]2C[C@@H]2c2ccccc2)n1 793163563 LRJNDMNSCQYUEA-CHWSQXEVSA-N 271.751 3.936 30 20 CHED COCc1ccc(/C=C2/CCc3ccc(O)cc3C2=O)cc1 794959791 DFWQIJCJIRIPNQ-YBEGLDIGSA-N 294.350 3.751 30 20 CHED CC(=NNc1ncccc1F)c1ccc(C#N)cc1Cl 794982456 WYUHHOCRCAJLOS-UHFFFAOYSA-N 288.713 3.582 30 20 CHED CC(=NNc1ncccc1F)c1cc2c(s1)CCCC2 794991201 WOEZAPXDJPXERP-UHFFFAOYSA-N 289.379 3.997 30 20 CHED Cc1cc(COC(=O)c2oc(C(C)C)nc2C)ccc1C#N 796202807 STIKUAMLGYSRBF-UHFFFAOYSA-N 298.342 3.644 30 20 CHED Cc1sc2ncn(N=C[C@@H](C)CC(C)C)c(=O)c2c1C 799105947 PXDZROVSTKSIMD-JTQLQIEISA-N 291.420 3.591 30 20 CHED C/C(C=NN1CCCC1=O)=C\c1ccccc1C(F)(F)F 799883688 MRBDXWGHKUTAOG-FDBMWMNRSA-N 296.292 3.717 30 20 CHED COc1cccc(/C=C2\CCc3c(O)cccc3C2=O)c1F 799891825 ICPKKBCRHYBKCI-ZRDIBKRKSA-N 298.313 3.752 30 20 CHED C[C@@H](C#N)OCCSCC[C@@H](C)OCc1ccccc1 802750323 CKKJETDXKIWJRW-CABCVRRESA-N 293.432 3.644 30 20 CHED CC(C)C[C@H]1OCCC[C@H]1Nc1nc(Cl)c(C#N)s1 804622699 FFFBFABUTOATHC-NXEZZACHSA-N 299.827 3.674 30 20 CHED N#Cc1ccncc1C(=O)OCc1cc2ccccc2s1 805715784 YPKYRFKFIBSZOI-UHFFFAOYSA-N 294.335 3.525 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)[C@H]1CCCOC1 806498977 JBJVFPKMIKZUOM-HOTGVXAUSA-N 298.471 3.803 30 20 CHED COc1ccc([C@H](C)/N=C\c2ccccc2O)c(C)c1OC 806552175 QHMCEWDJUUBYLK-JFENUBAZSA-N 299.370 3.898 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=Cc1c(F)cccc1F 807990161 VSRQXWCOKGPMIX-UHFFFAOYSA-N 291.257 3.627 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1sccc1C 807993181 YYXNJEZKIIBVOK-UHFFFAOYSA-N 286.404 3.950 30 20 CHED O=C(/C=C\c1cccnc1)c1c(F)cccc1Cl 809159304 MZEVYTPWAFZOIB-SREVYHEPSA-N 261.683 3.770 30 20 CHED C#CCCc1noc([C@H](C)Oc2ccc3ccccc3c2)n1 809396468 IIFVZFCOGZIGDJ-ZDUSSCGKSA-N 292.338 3.929 30 20 CHED C#Cc1ccccc1CC(=O)N(C)[C@H](C)c1ccccc1F 810065402 TXDFQTLQRCCUIH-CQSZACIVSA-N 295.357 3.569 30 20 CHED C#CCC1(OC(=O)c2ccc3nc(C)sc3c2)CCC1 810745222 KGHMSIISQIGKDV-UHFFFAOYSA-N 285.368 3.708 30 20 CHED C#CCC1(OC(=O)c2ccc(C(C)(C)C#N)cc2)CCC1 810745414 OVZKOCLGJGFUJR-UHFFFAOYSA-N 281.355 3.591 30 20 CHED C#C[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)C(C)(C)C 811507511 FGCFTEGLGSVMBQ-CYBMUJFWSA-N 285.309 3.549 30 20 CHED CC(CC1CCC1)=NN[C@H](C)COc1ccccc1 811667832 DVWBNCBDFWOAHN-CQSZACIVSA-N 260.381 3.610 30 20 CHED COc1cccc2c1CCCC2=NOC/C=C/Cl 811668924 VXYCXVYWMLXYTF-VXZPUBKTSA-N 265.740 3.505 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(Br)cc1 811669962 LKXQNSAZWZDHOZ-LTLPNOEFSA-N 288.572 3.942 30 20 CHED Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc(F)cc1F 812491653 CTEGZOCCHCHSGR-AATRIKPKSA-N 296.704 3.556 30 20 CHED Cc1nnsc1C=NNc1ccc(Cl)c(Cl)c1 814217899 QRNCBGMFHRSAKV-UHFFFAOYSA-N 287.175 3.599 30 20 CHED CC(C)(C)c1cnc(C=NOC2CCCC2)s1 814894564 NXUFFMYINDBRAR-UHFFFAOYSA-N 252.383 3.734 30 20 CHED CC(C)c1cnc(C=NOCCC(F)(F)F)s1 814909235 FOLLYAPYIUBMIU-UHFFFAOYSA-N 266.288 3.569 30 20 CHED CCC(=NNc1nccnc1C1CCC1)c1ccco1 814931959 IKBBDRUTWKLBQN-UHFFFAOYSA-N 270.336 3.563 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](CC)c1cc(F)ccc1F 815678321 ZEQCNLBXVBYBAQ-GFCCVEGCSA-N 289.272 3.744 30 20 CHED C#CCN(C)C(=O)c1csc(-c2ccc(Cl)cc2)c1 816448059 SLMJAEOXPVGUQI-UHFFFAOYSA-N 289.787 3.774 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(SC(F)F)cc1 817611418 JOYLCFAEYYNFFU-UHFFFAOYSA-N 298.358 3.623 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1CCNC2(CCC2)C1 817985326 IYTISYMRUIAFJR-HZPDHXFCSA-N 264.457 3.776 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCC1(F)F 820969746 QCHKJZARCXDIGK-RYUDHWBXSA-N 259.340 3.530 30 20 CHED C#CC1CCN(C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 826579352 VLNQHTDYLVLUCY-CYBMUJFWSA-N 296.370 3.549 30 20 CHED CC(C)C#CC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 829826452 PRAVBGUCCBKQFB-UHFFFAOYSA-N 296.197 3.538 30 20 CHED C=C(C)CCNCc1c(F)ccc(C2OCCO2)c1Cl 830544380 KBSZOWINNQPFLK-UHFFFAOYSA-N 299.773 3.580 30 20 CHED N#CC1(CC(=O)N2CC=C(c3ccccc3)C2)CCCCC1 831859032 YYMWDCZZAGDFMY-UHFFFAOYSA-N 294.398 3.776 30 20 CHED C#CCCCCC(=O)Oc1c(C(=O)O)ccc2ccccc12 833362707 GJXPWWPQFDZZFV-UHFFFAOYSA-N 296.322 3.637 30 20 CHED C#Cc1cccc(CN[C@H]2c3ccccc3C[C@H]2C)c1 834904594 ZPSUGEWIXNUJNT-AUUYWEPGSA-N 261.368 3.691 30 20 CHED C=CCCC(CC)=NNc1ccc(C(=O)O)c(F)c1 835009916 HVHAYXVBWNQWHF-UHFFFAOYSA-N 264.300 3.668 30 20 CHED C=CCON=C([C@H](C)OCc1ccccc1)C(F)(F)F 835014695 KJRURXGYGDOYQB-NSHDSACASA-N 287.281 3.713 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)C#CC(C)(C)C 837395930 OHLNBHNHKHBIMB-HNNXBMFYSA-N 271.404 3.863 30 20 CHED CC(C)(C)C#CC(=O)NC(C)(C)c1cccc(Cl)c1 837430199 UTASELBOLGOYQS-UHFFFAOYSA-N 277.795 3.741 30 20 CHED Cc1c(N)cccc1C(=O)OCCC1(C#N)CCCCC1 840225615 UKEZBVBWNKZEQV-UHFFFAOYSA-N 286.375 3.598 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)cc1SC 840501634 NZGWXVLWLMXUFB-UHFFFAOYSA-N 261.390 3.849 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCC1CC(F)(F)C1 840711096 VDEIESXRQPRANC-GRSHGNNSSA-N 290.313 3.795 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](CC)[C@H]2C[C@@H]2C)c1 840731038 YDDGIFZOEQRCCX-UNQWWWNPSA-N 286.419 3.892 30 20 CHED C[C@@H](CC(=O)Oc1cccc(OCC#N)c1)CC(C)(C)C 841342837 PVNLFGDKNIGKNR-ZDUSSCGKSA-N 289.375 3.957 30 20 CHED CCCCCCCCSC[C@H]1CCNC(=O)CC1 842187387 WGICFUBYUSEFSQ-CQSZACIVSA-N 271.470 3.996 30 20 CHED C=CCCCCCCCNC(=O)Cc1cnn2ccccc12 843597944 PZNPXBSJVLNIIT-UHFFFAOYSA-N 299.418 3.520 30 20 CHED CCCCCCCCNC(=N)Nc1cccc(OC)c1 848991951 SRQCMEBKOOSVOX-UHFFFAOYSA-N 277.412 3.992 30 20 CHED N#Cc1ccccc1COC(=O)CCc1ccccc1Cl 849208913 JIRDLERRXRZVND-UHFFFAOYSA-N 299.757 3.888 30 20 CHED CO[C@@H](C=NNc1nc2ccccc2s1)C1CCCC1 853256652 WJZAMEGHYMWXAT-ZDUSSCGKSA-N 289.404 3.899 30 20 CHED c1ccc(CCNN=C2CCC(=C3CCC3)CC2)nc1 853342408 LDTABNPITWEDJV-UHFFFAOYSA-N 269.392 3.624 30 20 CHED C#CCOc1cccc(OCc2ccc(OC)c(C)c2)c1 864046504 CMDLGQRNACTONF-UHFFFAOYSA-N 282.339 3.595 30 20 CHED COc1ccc(NN=CC2([C@H]3CCCCO3)CCC2)cc1 872359531 ICEBJENGPXKRQI-MRXNPFEDSA-N 288.391 3.832 30 20 CHED CC(C)O[C@@H](CNCc1ccc(C#N)cc1)c1ccccc1 876938779 BMVOHGCWXLGMCV-IBGZPJMESA-N 294.398 3.814 30 20 CHED C=CCCC[C@@H](NCC1([S@](C)=O)CC1)c1ccccc1 883220535 LDAWFPBELJRJSV-UZLBHIALSA-N 291.460 3.585 30 20 CHED CCc1ccc(NCc2ccc(N(C)CCC#N)cc2)nc1 883386044 YJSHVDLGMITHOA-UHFFFAOYSA-N 294.402 3.606 30 20 CHED C=C1CC(c2noc(-c3ccc(N4CCC(C)=N4)cc3)n2)C1 896885180 WDDVFVVKJKFSDL-UHFFFAOYSA-N 294.358 3.756 30 20 CHED CCn1cc(/C=C2\Cc3ccc(Cl)cc3C2=O)c(C)n1 899364830 KDOBNVOFMSMEOX-KPKJPENVSA-N 286.762 3.687 30 20 CHED N#CC1(CCCCn2nc(C3CC3)nc2C2CC2)CCC1 902721953 NERKWLLFKVVIPF-UHFFFAOYSA-N 284.407 3.897 30 20 CHED C=CCCC[C@H](N)c1nc(C(C)(C)c2ccccc2)no1 904691064 VRLCFGQVRQIAFY-AWEZNQCLSA-N 285.391 3.752 30 20 CHED C#CCN(C(=O)c1ccc(-c2cccs2)nc1C)C(C)C 906248804 HHRLVERKMREJJA-UHFFFAOYSA-N 298.411 3.602 30 20 CHED C=CC(C)(C)CC(=O)N1CCn2c(Cl)ccc2[C@@H]1C 908232920 IZHCBLMYVQILPX-NSHDSACASA-N 280.799 3.647 30 20 CHED CCCCCCCCCCN1C(=O)[C@@H]2CCCCN2C1=O 915794112 GAPYIMODOXSQJI-HNNXBMFYSA-N 294.439 3.944 30 20 CHED CCCNN=Cc1ccc(-c2ccc(Cl)cc2)o1 915966055 VRNRRJLCDCJLNG-UHFFFAOYSA-N 262.740 3.934 30 20 CHED COc1ccc(O)c(/C=N/Cc2cc3ccccc3o2)c1 915978175 BTMJHJPOXWEDJZ-VCHYOVAHSA-N 281.311 3.766 30 20 CHED C/C(C=NNc1nc(C)cc(C)n1)=C/c1ccccc1 916241653 CTDUVAFVDJBMBN-DOYFYCROSA-N 266.348 3.595 30 20 CHED CC(=NNc1ncnc2sc(C)c(C)c12)C(C)C 916310239 UWTOJPSZWFBILJ-UHFFFAOYSA-N 262.382 3.752 30 20 CHED C=CCN(C(=O)Nc1cc(Cl)ccc1OC)C(C)C 916706378 ZLRXUCHXPXKLEK-UHFFFAOYSA-N 282.771 3.777 30 20 CHED Cc1cccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c1 917145925 WNIJOBYWRLIGHW-WAYWQWQTSA-N 273.313 3.861 30 20 CHED COc1ccc(CNN=Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 917547077 IKUMMOVMIBXHFH-LRDDRELGSA-N 284.359 3.535 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H](C)SC 917871143 LAMSMNKVEPICCR-OLZOCXBDSA-N 259.459 3.851 30 20 CHED C#Cc1cccc(NC(=O)Cc2cc3ccccc3o2)c1 918754666 AFLDORIUPRSXBC-UHFFFAOYSA-N 275.307 3.595 30 20 CHED C=CCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 919667954 KULAOZLPLCNJBU-UHFFFAOYSA-N 268.740 3.617 30 20 CHED Fc1cccc(NN=C2CCc3c(F)cccc32)c1 921260023 OEDGEDWVUWPDSN-UHFFFAOYSA-N 258.271 3.727 30 20 CHED COc1ccc(/C=C2/Cc3c(F)cccc3C2=O)c(OC)c1 921266790 SLUDIFWERJNBII-WQLSENKSSA-N 298.313 3.665 30 20 CHED C[C@H]1CN(CCCCC2(C#N)CCC2)C[C@@H](C)S1 929726110 POAUKVUZUFOMBP-OKILXGFUSA-N 266.454 3.676 30 20 CHED C=CCOc1cccc(NC(=O)N(CC2CC2)C(C)C)c1 929933220 SSEPPZXUVGAEMY-UHFFFAOYSA-N 288.391 3.904 30 20 CHED N#CC1(CCCCN2CCC3(CCOCC3)CC2)CCC1 930373831 NDMYZEDJOGMWHX-UHFFFAOYSA-N 290.451 3.743 30 20 CHED C#Cc1ccc(NC(=O)N[C@@](C)(CC)c2nccs2)cc1 934935975 IGWARZBCEQLUAX-INIZCTEOSA-N 299.399 3.571 30 20 CHED C=C[C@H](CC)CC(=O)NC1(C)CCC(F)(F)CC1 935340591 VGIXVKTUOVAXKL-LLVKDONJSA-N 259.340 3.673 30 20 CHED CCn1c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc2ccccc21 1117890454 OHNNPMZSIGZSQX-HIFRSBDPSA-N 296.370 3.900 30 20 CHED Cc1ccc(NN=Cc2cn(C)nc2C2CC2)cc1Cl 1120344606 ZWQZJMXXJXAERH-UHFFFAOYSA-N 288.782 3.705 30 20 CHED C=CCn1c(C(CC)CC)nnc1N1CCC[C@@H](CF)C1 1121605651 HBROHPPZEVWOFI-ZDUSSCGKSA-N 294.418 3.554 30 20 CHED C=CC[C@H]1N(C(=O)/C=C\c2nccs2)CCCC1(C)C 1123826861 CZAUNEAHKZRJMR-MEJMFZKBSA-N 290.432 3.750 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC1(CC(C)C)CCC1 1127214289 KILYEIIXUFJJFD-UHFFFAOYSA-N 284.403 3.813 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1cc(C#N)ccc1F 1128435103 DTMMWOXNQNKWCE-GFCCVEGCSA-N 288.366 3.786 30 20 CHED CCCC[C@@H](C(=O)N(CC)[C@@H](C#N)CC)C(C)C 1134426420 XKYXICFWRXYMKO-ZIAGYGMSSA-N 252.402 3.599 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)CC#N)C1CCCCCC1 1225996502 QBWCAZKRNWIBII-CYBMUJFWSA-N 279.428 3.584 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)c1cccc(C)c1)c1ccncc1 1252038057 DCCUSMXNRLBXOR-QAPCUYQASA-N 294.398 3.927 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc2c1ccn2C 1256630899 FAFGOROHGFOZMO-UHFFFAOYSA-N 289.338 3.611 30 20 CHED CC1(C)CC(C(=O)Nc2cccc(C#N)n2)CC(C)(C)C1 1277174403 JTGOVZRCBOASFB-UHFFFAOYSA-N 285.391 3.744 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CCC(C)C)c2c1CCC2 1293065617 DGFGXIAIHQMEDJ-UHFFFAOYSA-N 298.430 3.886 30 20 CHED CCC[C@H]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 1294687243 NWONVTZKZOBDCS-ZWKOTPCHSA-N 298.430 3.798 30 20 CHED C=C(Cl)CN[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 1307964349 DIGFYXBMKKLYGG-MRXNPFEDSA-N 295.810 3.586 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)nn1)C1CCC1 1324551734 YNCLDUNSQXZMFY-UHFFFAOYSA-N 260.385 3.752 30 20 CHED CCc1cccc2c1N(C(=O)c1cccc(C#N)c1C)CC2 1325205277 NPSZQFUHFTYGOE-UHFFFAOYSA-N 290.366 3.632 30 20 CHED CCCCCCCCNC(=O)c1ccc2cncn2c1C 1325206630 WJWDQXUYFGFCLZ-UHFFFAOYSA-N 287.407 3.733 30 20 CHED CC(C)(C)Oc1ccc(CCNc2cnccc2C#N)cc1 1325261026 KWBSOQRVOXVHDW-UHFFFAOYSA-N 295.386 3.785 30 20 CHED Cc1cnc2ccccc2c1N(C)CC(C)(C)C#N 1326198000 VOTBZKQXFSJCLQ-UHFFFAOYSA-N 253.349 3.529 30 20 CHED C#C[C@H](NC(=O)Nc1c(C)cc(Cl)cc1C)C(C)C 1326684427 NEKPNNSROMYDDZ-ZDUSSCGKSA-N 278.783 3.736 30 20 CHED Cc1nsc(NCc2cccc(Cl)c2F)c1C#N 1327643301 RDJOCFUZCJXXJC-UHFFFAOYSA-N 281.743 3.728 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)c1noc(C)n1 1329851917 WNYUEYRDVRVQNZ-NWDGAFQWSA-N 253.390 3.778 30 20 CHED CCC(CC)(CC)C(=O)OCc1ccc(C#N)s1 1332975784 PNCGBLPBGFVREA-UHFFFAOYSA-N 265.378 3.879 30 20 CHED CC1CCC(OCc2nnc(-c3cccc(C#N)c3)o2)CC1 1345571271 VEECRTMVZYRUAK-UHFFFAOYSA-N 297.358 3.704 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1nc(C2CC2)cs1 1345613455 XDNKLVXFJBSNAC-UHFFFAOYSA-N 298.411 3.849 30 20 CHED N#Cc1ccccc1/C=C\c1nnc(Cc2cccs2)o1 1345908616 RKWZDYYSOWWDNL-FPLPWBNLSA-N 293.351 3.764 30 20 CHED CCOc1ccc([C@@H](C)OC(=O)c2ccc(C#N)cc2)cc1 1358324893 QUVKAXLTTFMKPQ-CYBMUJFWSA-N 295.338 3.875 30 20 CHED N#CC1(CCN2C[C@H]3CCCC[C@H]3C2)CCCCC1 1473481539 BQYWLKDQOZHDEG-IYBDPMFKSA-N 260.425 3.973 30 20 CHED C=CCN(C(=O)c1oc(C2CC2)nc1C(F)F)C(C)(C)C 1518309138 ORTKKPZBXBOUOE-UHFFFAOYSA-N 298.333 3.916 30 20 CHED C[C@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1524153527 WKTFQQYRXHYMEK-OSMBCOQSSA-N 283.371 3.784 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ncc(C#N)cc1C 1525453622 VRXDWQALEKUAOY-CVEARBPZSA-N 299.418 3.598 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C)CC2)cc1C#N 1529276552 NZIBPZGBXONEKP-WBMJQRKESA-N 270.376 3.565 30 20 CHED C=CCC1(NCc2ccsc2C(=O)O)CCCCC1 1573353589 ZMSBTLITDJCNHR-UHFFFAOYSA-N 279.405 3.815 30 20 CHED C=C(C)c1cccc(NC(=O)N[C@H](CCC)c2cnn[nH]2)c1 1575053454 HVTYNZZISJFNRX-CQSZACIVSA-N 299.378 3.501 30 20 CHED CCCc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 1583559587 OUNZOHWENMBQBQ-ZBFHGGJFSA-N 271.360 3.878 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C2CCCCCCC2)C1 1584703760 XRQRRQLIRYIBJC-DZGCQCFKSA-N 263.381 3.972 30 20 CHED C=CC[C@H](Sc1cc(C)c2ccccc2n1)C(=O)O 1588759309 ROQDRYSDPOMQTN-ZDUSSCGKSA-N 273.357 3.665 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2ccc(C(=O)O)o2)CCCC1 1588764994 OTJXRTJNDLPORB-NSHDSACASA-N 292.331 3.719 30 20 CHED CC(C)=CCON=C(CCCCC(=O)O)C(F)(F)F 1590924237 DSRNPIITQOFQAZ-UHFFFAOYSA-N 281.274 3.533 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)cc(Cl)c1C(=O)O 1602807510 NRRMNQHSVDGQBV-UHFFFAOYSA-N 299.729 3.718 30 20 CHED CCc1cccc(F)c1/C=C/C(=O)c1cc(C(=O)O)co1 1605828830 ORBSHTUCAYZFSZ-VOTSOKGWSA-N 288.274 3.575 30 20 CHED C[C@H]1CCC[C@H](Cn2cc(C#N)c3ccccc3c2=O)C1 1614734254 GVMXWHCWZFPCSZ-KBPBESRZSA-N 280.371 3.699 30 20 CHED CCc1c[nH]c2ncnc(N[C@H](C)c3ccc(C#N)cc3)c12 1650683445 QDDOUHQHSHYFTE-LLVKDONJSA-N 291.358 3.565 30 20 CHED CC(C)c1cccc(Nc2ncc(C#N)cc2F)c1 1654885266 AXSLLUNTVDFZDT-UHFFFAOYSA-N 255.296 3.959 30 20 CHED CC[C@H]1CCCC[C@H]1C=NNc1ccc(C(=O)O)cc1 1776013007 CGNGOIFMWJOFNT-JSGCOSHPSA-N 274.364 3.999 30 20 CHED CC(C)CC(CC(C)C)=NNc1ccc(C(=O)O)nc1 1776068636 NVWHDRBPUJOWNX-UHFFFAOYSA-N 277.368 3.640 30 20 CHED CC(Cc1ccsc1)=NNc1cccc(C(=O)O)c1C 1776086883 URATVECLGFHYLS-UHFFFAOYSA-N 288.372 3.785 30 20 CHED C[C@H]1Cc2ccccc2C(=O)/C1=C\c1ccc(C(=O)O)cc1 1776665934 LIPIKKCJBYBWMG-UEMWTREESA-N 292.334 3.843 30 20 CHED Cc1cccc(C)c1OCCC(=O)Nc1ccccc1C#N 20261418 YERPXPJTOURVGS-UHFFFAOYSA-N 294.354 3.583 30 20 CHED N#Cc1ccccc1CN[C@H](c1ccccc1)c1ccccn1 26230607 FSVRRLRVAWLSGZ-HXUWFJFHSA-N 299.377 3.832 30 20 CHED C=C(C)CSc1nnc(-c2ccccc2Cl)n1C 41770592 BVYQTLIGNASGLN-UHFFFAOYSA-N 279.796 3.804 30 20 CHED O=S(=O)(/C=C/c1ccccc1)/N=C(\O)C1CCCCC1 42320291 LUHWDYIZSDSIHL-VAWYXSNFSA-N 293.388 3.524 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1C1CCCCC1 45326962 MTOCGOIXOCLSQE-INIZCTEOSA-N 270.376 3.647 30 20 CHED CC(C)Oc1ccccc1[C@H](C)Nc1ncccc1C#N 52325158 FSTQDBMZPYOEDG-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C 59422211 QHXGWGWMKPXROT-VXGBXAGGSA-N 262.784 3.832 30 20 CHED CCCCCCCNc1ccc(C(=O)N(C)C)cc1 59426809 XDRZSTGQERMDEA-UHFFFAOYSA-N 262.397 3.771 30 20 CHED CC(C)C[C@H](C)CC(=O)N(CCC#N)Cc1ccco1 67922697 CFVYQRCPUGVFME-AWEZNQCLSA-N 276.380 3.594 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NCCCSCC#N 72515877 FSGBOAIHIDLILG-KBPBESRZSA-N 268.470 3.828 30 20 CHED N#Cc1ccccc1OCc1cc(Cl)ccc1[N+](=O)[O-] 72671931 RVZONDCGAAVTMH-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CCC(CC)S(=O)(=O)/N=C(\O)[C@H](CC)c1ccccc1 73838152 ZEXYQGPMIROHKU-CQSZACIVSA-N 297.420 3.655 30 20 CHED C[C@@H](CCc1ccccc1F)C(=O)[C@@H](C#N)c1ccccn1 76825601 KSBZVQJTJSGHQF-ZFWWWQNUSA-N 296.345 3.666 30 20 CHED Cc1cc(C)cc(CN(CCC#N)Cc2cccnc2)c1 78663813 NYBGTRRZQQZWRI-UHFFFAOYSA-N 279.387 3.614 30 20 CHED CC[C@@H](C#N)OC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 89240279 VVOCHRLGFZGXEC-FZMZJTMJSA-N 279.767 3.754 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 92326830 HBHOMVPCKMVVSW-WDEREUQCSA-N 269.348 3.575 30 20 CHED O=C(/C=C\c1ccc2nccnc2c1)c1ccc(F)cc1 96190026 HHXGUDSWAYSYFT-WAPJZHGLSA-N 278.286 3.665 30 20 CHED N#CCCCOc1ccccc1C(=O)Nc1ccccc1 98070089 XEXVVPQWMJBSGU-UHFFFAOYSA-N 280.327 3.621 30 20 CHED C=CC1CCN(Cc2csc(-c3ccccn3)n2)CC1 111258648 GHJQSNTWYXOHLE-UHFFFAOYSA-N 285.416 3.603 30 20 CHED Cc1ccc(OC[C@H](C)Nc2cccc(F)c2C#N)cc1 112012561 IRGIHSDZEFJPRI-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED C[C@@H](C#N)NC(=O)CC1(CCc2ccccc2)CCCC1 112882942 GPVFVADYOGNTQT-HNNXBMFYSA-N 284.403 3.598 30 20 CHED C=C(C)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 119650789 BTUKMKOFPNMHAR-UHFFFAOYSA-N 272.304 3.521 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(CNCC)c1 123136539 CXDHEXQPTJGLLH-UHFFFAOYSA-N 272.392 3.503 30 20 CHED CC(C)(C#N)CCSc1nnc(-c2ccccc2)o1 123727134 QNIZKHXJBKRZKO-UHFFFAOYSA-N 273.361 3.769 30 20 CHED Cc1cc(Cl)c(NC(=O)C(C)(C)C#N)cc1Cl 128154427 FTXKHNXTAXADGU-UHFFFAOYSA-N 271.147 3.790 30 20 CHED C#CCSCCN[C@@H](CC)c1ccc(Cl)s1 129989118 AQFHSSOZDDUJFQ-JTQLQIEISA-N 273.854 3.809 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C)c1ccccc1 130487613 NKXUICXDADBIAW-SQWLQELKSA-N 257.377 3.651 30 20 CHED C#Cc1cccc(NCc2nc3cc(Cl)ccc3n2C)c1 130508380 YCULVCCUFLCFHC-UHFFFAOYSA-N 295.773 3.820 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(C)Cc2cccc(C#N)c2)C1 131292682 KCWKAWONWNOWLF-CABCVRRESA-N 284.403 3.733 30 20 CHED CCC(C)(CC)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 131682442 MWZZCVSCVGGJDH-GFCCVEGCSA-N 283.375 3.576 30 20 CHED CCSCCCNc1cc(Cl)ccc1C#N 135547750 NWCXAEZEVPROFU-UHFFFAOYSA-N 254.786 3.767 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 151026739 LZRABPVYYIOPMR-RHSMWYFYSA-N 269.388 3.974 30 20 CHED C=CCCOCC/N=C(\N)Nc1ccc([C@@H](C)CC)cc1 155547219 WCMQHQCNPVZCIU-AWEZNQCLSA-N 289.423 3.519 30 20 CHED CC(C)(C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 157874159 SQOVNOPLRKDRPP-SNVBAGLBSA-N 285.174 3.720 30 20 CHED N#Cc1ccc(OCCCSCc2nccs2)cc1 161638111 GXBCJZSFPVWXMP-UHFFFAOYSA-N 290.413 3.717 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC)c1ccc(F)cc1F 161950350 ZWAJYXIMTSKJMB-HNNXBMFYSA-N 294.345 3.800 30 20 CHED C[C@@H](NCc1cccc(OCCCC#N)c1)c1cccnc1 171246195 PGPJMVNNQKVQJO-OAHLLOKOSA-N 295.386 3.615 30 20 CHED C=CCCC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 171424342 DWAUFNJGLBYCSH-NSHDSACASA-N 274.389 3.782 30 20 CHED C=CCCCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 175183919 AZYIABMZMBBXRL-UHFFFAOYSA-N 295.304 3.529 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cc(F)c(O)c(F)c1)C2 175326526 DYTBJEXDLHGIAJ-XGICHPGQSA-N 286.277 3.801 30 20 CHED CC[C@H]1CCCCN1C(=O)c1cccc(SCC#N)c1 175493572 RTHNANKTLOCDEZ-AWEZNQCLSA-N 288.416 3.707 30 20 CHED N#Cc1csc(-c2nc(-c3ccccc3Cl)no2)c1 176661161 TWSPAXXWCBHUSS-UHFFFAOYSA-N 287.731 3.990 30 20 CHED N#Cc1ccccc1CN1CCC(OCC2CCCC2)CC1 177491888 ZUDNSOJEUWENMU-UHFFFAOYSA-N 298.430 3.729 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1 177905948 RUCANUKWQRQPLE-LBPRGKRZSA-N 289.354 3.741 30 20 CHED N#CCOc1cc(F)ccc1NCc1ccc2c(c1)CCC2 178036944 SJCSKPRVSXRICD-UHFFFAOYSA-N 296.345 3.829 30 20 CHED Cc1c(C#N)cccc1NC(=O)C(C)(C)CC(C)C 178629626 PDXSGOUGRFGWIG-UHFFFAOYSA-N 258.365 3.878 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ccc(C#N)cn1)CCC2 179237407 VBCUKVORQBNJBA-MRXNPFEDSA-N 263.344 3.751 30 20 CHED C=C(C)CN(C)C(=O)NCc1oc2ccc(F)cc2c1C 180786434 MKYHROIPFKJHJM-UHFFFAOYSA-N 290.338 3.598 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cnn(Cc2ccccc2)c1 180946465 AYPDLQIGKRSIMY-GJZGRUSLSA-N 269.392 3.547 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC(C)(C)c1ncc(C)s1 181122211 LRROCFJBGSPCEJ-LLVKDONJSA-N 295.452 3.731 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(Br)cc1C 181515416 MTZJTYDPHGVCFO-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccccc1Cl 184907320 ILJDINZKMKSSLU-LLVKDONJSA-N 263.768 3.567 30 20 CHED C=C(C)[C@@H](NC(=O)N(C)CCC)c1ccc(F)c(F)c1 186144433 IALGJYQXKLUPMA-CQSZACIVSA-N 282.334 3.633 30 20 CHED N#Cc1cc(Cl)ccc1CNc1cccc(F)c1 187703565 KSBHYZWWEKMYLX-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@](C)(C=C)CC 187867442 GZSAHNNWASFKAZ-SFHVURJKSA-N 282.387 3.675 30 20 CHED CN(Cc1cc(C#N)cs1)CC1(c2ccccc2)CC1 188715969 BBUWMFQTJWKBIH-UHFFFAOYSA-N 282.412 3.783 30 20 CHED C=CCCC(=O)NC[C@H](Cc1ccccc1)C(C)C 188779969 BVSPKXWOEKCOPX-INIZCTEOSA-N 259.393 3.584 30 20 CHED C=C(C)[C@@H](NCc1ccc(F)nc1)c1ccc(F)c(F)c1 189184090 NJPJXSRCSQIWJO-MRXNPFEDSA-N 292.304 3.906 30 20 CHED C=CCCC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 189214546 WSWATRFDICLZKU-INIZCTEOSA-N 257.377 3.880 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C(=C/C)CC 190507083 GDRZWOOOJXGBBQ-GIDUJCDVSA-N 273.376 3.566 30 20 CHED C/C=C(\CC)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 191481798 SJIUCLRBESCDEQ-QLKAYGNNSA-N 295.304 3.529 30 20 CHED C#CCCCC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 192172193 GVUMTZFMUCRDRT-CJNGLKHVSA-N 285.387 3.698 30 20 CHED C=CCSCCNC(=O)Nc1ccccc1OCCC 194598070 YKOGHUWNXVRLPU-UHFFFAOYSA-N 294.420 3.516 30 20 CHED N#CCN(C(=O)c1cc2ccccc2o1)c1ccccc1 194953852 GKZIVVVZOOMXDY-UHFFFAOYSA-N 276.295 3.603 30 20 CHED O=C1/C(=C\C2=Cc3ccccc3OC2)Cc2ccccc21 207874061 VDEIZDWHGULHES-YBEGLDIGSA-N 274.319 3.828 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc(Cl)sc1Cl 218036702 VMMLMHGVAZLGAC-SSDOTTSWSA-N 291.203 3.677 30 20 CHED N#Cc1ccc(NC[C@H]2CCC3(CCCCC3)O2)cc1 228036528 NELPKNIDELGGKK-MRXNPFEDSA-N 270.376 3.852 30 20 CHED C[C@@H](C#N)CNCc1ccc(-c2ccc(Cl)cc2)o1 237579102 YVRIZNCPPHGQIL-NSHDSACASA-N 274.751 3.849 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cccc(C#N)c1)C2 248342383 XZMSEBAXNGPIBO-MPGHIAIKSA-N 282.387 3.503 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@H](C)C[C@H]2c2cccnc2)n1 248605502 WDQMZBCEXJLJEC-PXAZEXFGSA-N 292.386 3.553 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCCN(c2ccccc2F)C1 255323017 CWSFBRXLNSANJE-GEYIUBJWSA-N 298.361 3.619 30 20 CHED COc1cc(/C=C\C(=O)c2occc2C)c2c(c1)C[C@@H](C)O2 255866622 ADPUWZKTHXUILT-QMAVJUDZSA-N 298.338 3.816 30 20 CHED N#CC1(CNCc2ccc(Cl)cc2Cl)CCC1 258938168 PHZCPYAZDHUJLY-UHFFFAOYSA-N 269.175 3.777 30 20 CHED C#CC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 273474214 KHPHDLKQXOXBQW-RDTXWAMCSA-N 295.382 3.816 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(C(=O)CC(C)(C)C#N)C2)cc1 278879714 ZNFONRWMLCAYIM-HOCLYGCPSA-N 284.403 3.639 30 20 CHED C=C(C)CN(CCCSCC#N)Cc1ccccc1 279373515 SCGISDPFSRFOBI-UHFFFAOYSA-N 274.433 3.712 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CCC(F)(F)C1)c1ccccc1 280428961 BBGAKAZFDAGGEF-ZFWWWQNUSA-N 293.357 3.898 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1csc(C(C)C)n1 280824023 NSYVOEFKTCVQFV-NFAWXSAZSA-N 294.464 3.898 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 284146199 IVMOMAMJAXJXSF-KCPJHIHWSA-N 288.778 3.623 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cc(C)c(F)cc1Cl 288939109 WEOBAXSYDPOPER-OAHLLOKOSA-N 299.773 3.955 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1ccccc1N(C)C 289005258 MTGXZFZVLAFVKA-UHFFFAOYSA-N 287.451 3.904 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(-c2ccccc2OCC#N)n1 289171676 OTPLVGNXFSBZSZ-QWHCGFSZSA-N 297.358 3.933 30 20 CHED N#CCCCC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 291625832 FWNINQRAFGKGFP-IAGOWNOFSA-N 284.403 3.598 30 20 CHED C=CCC[C@H](NC(=O)CSC(F)F)c1ccccc1 295158198 CVMKQHLXPYJSDZ-LBPRGKRZSA-N 285.359 3.766 30 20 CHED N#CCCCCNC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 296295445 JASGFCLTINXBSZ-DLBZAZTESA-N 299.418 3.563 30 20 CHED CC(C)(C)OC1CCN(c2cccc(Cl)c2C#N)CC1 297623482 WOJOJJNEBJTSEO-UHFFFAOYSA-N 292.810 3.996 30 20 CHED C=CCN(CC=C)C(=O)c1sc(C(C)(C)C)nc1C 299424822 ZAGKOCFWKWFQDG-UHFFFAOYSA-N 278.421 3.563 30 20 CHED Cc1ccc(C[C@@H](C)Nc2cccc(C#N)n2)c(C)c1 301294073 WMALPRITGKIMIM-CQSZACIVSA-N 265.360 3.613 30 20 CHED C[C@@H](CNc1cccc(F)c1C#N)Oc1ccccc1F 301447795 KHKQZJBQYIGVBT-NSHDSACASA-N 288.297 3.716 30 20 CHED C=CCCCNc1cc(Cl)ccc1-n1cccn1 303894246 SEMKIQXDACQTBD-UHFFFAOYSA-N 261.756 3.904 30 20 CHED Cc1cc(OCc2c(C)noc2C)c(C)c(C)c1C#N 312303559 SUFNRJYNAPITPJ-UHFFFAOYSA-N 270.332 3.667 30 20 CHED C[C@H]1CCC[C@H]1NC(O)=Nc1ccc2ccoc2c1 328642735 FAQMLHBRRBCKGP-GXFFZTMASA-N 258.321 3.757 30 20 CHED Cc1noc(CC/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 329154127 UOITVVSJVIJZJP-MELADBBJSA-N 291.395 3.626 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@@H]1CCC[C@@H](C)C1 329269566 GWFKGFNZZPRCDZ-BXKDBHETSA-N 293.436 3.909 30 20 CHED N#CC1(/N=C(/O)C(C2CCC2)C2CCC2)CCSCC1 329630111 HTFIBSROZZNMPY-UHFFFAOYSA-N 292.448 3.949 30 20 CHED CO[C@@H]1CC[C@H](/N=C(/O)Nc2ccc3occ(C)c3c2)C1 329921927 SWSQWVFFXHLKJD-WCQYABFASA-N 288.347 3.635 30 20 CHED CC(C)=CC/N=C(/O)c1coc(C2CCCCC2)n1 330430515 MRFFRAJYLKLCNT-UHFFFAOYSA-N 262.353 3.993 30 20 CHED CCOC(=O)C1CCC(/N=C(/O)C2=C(C)CCC2)CC1 330647741 NHOAGNOMICGSIH-UHFFFAOYSA-N 279.380 3.565 30 20 CHED CC[C@H](/N=C(/O)Nc1cc(C)ccc1C)C1CCOCC1 330979451 PBADNMDTLJLGSW-HNNXBMFYSA-N 290.407 3.835 30 20 CHED COc1ccc(C)cc1[C@H](C)/N=C(/O)N[C@@H]1CC[C@H](C)C1 331224685 MIZAUUYFJDWGQP-FPMFFAJLSA-N 290.407 3.757 30 20 CHED C[C@@H](NC1CCC(F)(F)CC1)c1cccc(C#N)c1 334369550 NLHGUNWTGLEWJM-LLVKDONJSA-N 264.319 3.787 30 20 CHED N#CC1(C(=O)N2Cc3ccccc3C3(CCC3)C2)CCCC1 334426691 ZDQBNPHFFFPFOI-UHFFFAOYSA-N 294.398 3.534 30 20 CHED CSc1ccc(Cl)cc1NC(=O)[C@]1(C#N)C[C@@H]1C 334517870 OKUWMQNHXUEINM-SDBXPKJASA-N 280.780 3.550 30 20 CHED C[C@@H]1C[C@H](CC(=O)N2CCC(C)(C#N)CC2)CC(C)(C)C1 336561395 LHYAJHZEBFNWBB-HUUCEWRRSA-N 290.451 3.991 30 20 CHED N#CCc1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 338783925 IHVVWWQOIPEUPQ-UHFFFAOYSA-N 291.354 3.563 30 20 CHED C[C@@H](CC(=O)NCc1ccc(C#N)cc1)c1ccccc1F 338855734 GGPQHPYSRYCCMO-ZDUSSCGKSA-N 296.345 3.507 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H](C)c2ccc(F)cc2)n1 340134975 RDUZWSIWHSVJSQ-SNVBAGLBSA-N 287.363 3.958 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Cl)cc2cccnc12 341642960 CWAPBPFSHDLNNY-CYBMUJFWSA-N 288.778 3.973 30 20 CHED Cc1ccnc(NCCc2cccc(C#N)c2)c1Cl 343042341 AJZRLNMVDAKBNP-UHFFFAOYSA-N 271.751 3.570 30 20 CHED N#CC1(CSCc2cccc(OC(F)F)c2)CC1 344467388 CTADYFNJVSRSSU-UHFFFAOYSA-N 269.316 3.825 30 20 CHED C=CCC[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccccc1 346625413 CEQSGRKQTUIADS-BHYGNILZSA-N 259.393 3.851 30 20 CHED C=CCCC1(c2nc([C@@H](C)C(=O)OC(C)(C)C)no2)CC1 347200784 QHZQQCNRHPVVMU-LLVKDONJSA-N 292.379 3.513 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CSCCc2ccccc21 348206905 MWCMDGRQVFKJMB-MRXNPFEDSA-N 288.460 3.937 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccnc2ccccc12 352478693 ZKJCPLWVXKONDV-UHFFFAOYSA-N 268.360 3.567 30 20 CHED Cc1ccc(Cl)cc1NC(=O)N1CCC(F)(C#N)CC1 353351751 NNIOGVNHSNYBHK-UHFFFAOYSA-N 295.745 3.508 30 20 CHED N#CCCCOc1cccc(NC(=O)[C@H]2CC23CCCC3)c1 353766147 JIDDITIYJAYBDN-MRXNPFEDSA-N 298.386 3.888 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CC12CCCC2 354114525 IJHWUBQSJAKROP-OAHLLOKOSA-N 276.424 3.745 30 20 CHED CC[C@@H](C)n1ncc(Nc2ncc(C#N)cc2Cl)c1C 357646224 OXIZKSVFGKRZCG-SECBINFHSA-N 289.770 3.826 30 20 CHED Cc1ccc([C@@H](NC(=O)CCCC#N)c2ccccc2)cc1 359916265 ZMIWFEJJASMMJA-IBGZPJMESA-N 292.382 3.895 30 20 CHED N#CCCCC(=O)Nc1ccccc1C#Cc1ccccc1 361912214 ADHUXMGEOIQOMT-UHFFFAOYSA-N 288.350 3.719 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CC)c1cccc(Cl)c1 362372077 XCINQEGPSJWELC-ZWNOBZJWSA-N 266.772 3.665 30 20 CHED C=CCCCCNC1CCN(C2CCCCC2)CC1 364187365 ALEYBBWMXWKHRO-UHFFFAOYSA-N 264.457 3.729 30 20 CHED Cc1coc(-c2cccc(NC(=O)CC(C)(C)C#N)c2)n1 364970933 HYAHAXFHACHCPA-UHFFFAOYSA-N 283.331 3.528 30 20 CHED CCCCCCCCCC(=O)N1CCC(CCO)CC1 400922443 KJWSAULQKPFVBS-UHFFFAOYSA-N 283.456 3.748 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)C1CCCCCC1 404257253 MNCQOBNHLJWLEY-UHFFFAOYSA-N 260.356 3.852 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(C2CCC2)c1 410015732 MPMILPWJRDBSNR-QZTJIDSGSA-N 299.414 3.665 30 20 CHED CC(C)(CC#N)CNc1c(Cl)cccc1[N+](=O)[O-] 413399744 BKYSXYLZJUVJRP-UHFFFAOYSA-N 267.716 3.600 30 20 CHED Cc1ccnc(NCC(C)(C)CC#N)c1Br 413407675 LWDZHUMALXPQMR-UHFFFAOYSA-N 282.185 3.504 30 20 CHED Cc1ccc(CC(C)(C)NC(=O)c2ccc(C#N)s2)cc1 416065603 QJTJASHVPCMPAO-UHFFFAOYSA-N 298.411 3.679 30 20 CHED Cc1ccc(CCCCC(=O)NCC2(C#N)CCC2)cc1 416358565 LIUJLYFNZARGQP-UHFFFAOYSA-N 284.403 3.518 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2CCC[C@H](N)C2)c1 420280378 LEMKJYMRCQXBCR-NEPJUHHUSA-N 297.324 3.506 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N[C@H](C#N)C(C)(C)C 424702651 GGQKHRSGAHRHHQ-GOEBONIOSA-N 286.419 3.618 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OCC)c(F)c1 426571966 XKMRVCRWHAJUDT-CQSZACIVSA-N 263.356 3.765 30 20 CHED N#Cc1c(F)cccc1CNc1cc(F)ccc1F 427526657 XOEAPEZVAUUDGU-UHFFFAOYSA-N 262.234 3.588 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 431951518 NWVMMBPIIFVFJZ-LALPHHSUSA-N 285.391 3.813 30 20 CHED Cc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc1 433123709 WKFOLVSCMREJND-MRXNPFEDSA-N 278.355 3.706 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1NCCCCC#N 436249666 AXDQESCWMRRVNH-HZPDHXFCSA-N 266.429 3.644 30 20 CHED C=CC1CCN(Cc2ccc(C#N)cc2Cl)CC1 439445799 CMQFKYSEEXWGLG-UHFFFAOYSA-N 260.768 3.610 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2c(F)cccc2C1 442674504 CMMKRWFVUHZQIB-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CC(C)C[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 442690054 VCMQIGSACNHPNE-GDBMZVCRSA-N 256.393 3.987 30 20 CHED CCOc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1 444720002 BIUGLBSVKPKTJD-INIZCTEOSA-N 272.392 3.599 30 20 CHED COc1ccc(C#N)cc1CN(C)C[C@@H](C)c1ccccc1 446831666 HGCZMYYJQWCTGD-OAHLLOKOSA-N 294.398 3.802 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)O[C@H](CC)C2)CCCCC1 448957306 RVQUSQOTMNIREZ-HUUCEWRRSA-N 279.424 3.539 30 20 CHED N#CCCCN[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 449236637 YJZSBIHMCGAUGL-HOCLYGCPSA-N 276.811 3.945 30 20 CHED CCOCCC1(CNc2cccc(Cl)c2C#N)CC1 450411600 XWESPSXXZRDFQS-UHFFFAOYSA-N 278.783 3.830 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CC(F)(F)C1 450450852 HRUYXRVBVOZLQA-HOTGVXAUSA-N 290.357 3.803 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 451446891 AKDRCMSCCXUODP-ACWOFJMJSA-N 296.414 3.756 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 451688761 KFVHCHSZNDRIBH-HPBDAGMYSA-N 299.414 3.577 30 20 CHED C=CC(C)(C)CN[C@@H](c1ncc[nH]1)C1CCCCC1 453306017 IQTLCVXPORWXSQ-CQSZACIVSA-N 261.413 3.833 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ncc(Br)s1 453309147 OYYJUIZKOJQABN-QMMMGPOBSA-N 289.242 3.768 30 20 CHED C=CCCCC[C@@H](C)N1CCC[C@@]2(CCOC2)C1 453344399 DYJVUOBQOVQMOU-HZPDHXFCSA-N 251.414 3.624 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(CSC)cc1 454672610 APZHXEIUDLSDAQ-UHFFFAOYSA-N 264.394 3.637 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 455311287 NPQGQWLYADSMCA-CQSZACIVSA-N 278.783 3.763 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(C)cc(C#N)c1 455950879 GOTDBCQFVVEWAJ-IUODEOHRSA-N 271.364 3.662 30 20 CHED N#CCc1cccc(NC(=O)NC2CCCCCC2)c1 455952590 UNBMYAZEXAQABO-UHFFFAOYSA-N 271.364 3.597 30 20 CHED C=C(CC)CNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 456822476 AZUWMEBJAHPXEU-JKSUJKDBSA-N 257.377 3.653 30 20 CHED CC(C)CCCCC(=O)NC1(c2cccc(C#N)c2)CC1 457671208 UQDPDPATCNHKAC-UHFFFAOYSA-N 284.403 3.880 30 20 CHED C=C(CC)CNC(=O)N(CCc1cccc(F)c1)C1CC1 459080698 PZKBGJFVEGTBIU-UHFFFAOYSA-N 290.382 3.508 30 20 CHED C=CCC[C@H](CCC)NC1CCN(C2CCC2)CC1 462042385 VDVVRHPDFNZNMW-HNNXBMFYSA-N 264.457 3.728 30 20 CHED C[C@@H](C(=O)N1CCCCC(C)(C)C1)c1cccc(C#N)c1 462336742 BJDNNTCCQICZIZ-CQSZACIVSA-N 284.403 3.700 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)[C@H](C)c1cccc(C#N)c1 463868696 XJULTCHKOODVGS-PBHICJAKSA-N 284.403 3.699 30 20 CHED C=C[C@H](C)NC(=O)CCCCCc1cccs1 465118593 XAJZZDRZQUZRIO-LBPRGKRZSA-N 251.395 3.542 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccc(SC)cc1 466481237 JQTTUNBHJKFWOB-LBPRGKRZSA-N 278.421 3.687 30 20 CHED Cc1ccc(C2CC(NCCc3cccc(C#N)c3)C2)cc1 467443060 AXEOORMXNFPCND-UHFFFAOYSA-N 290.410 3.945 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(c2ccccc2)CCC1 467500577 VHBMYNPBRZSZJT-KRWDZBQOSA-N 271.404 3.827 30 20 CHED C=CCOCCCN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 470865300 GAPXZRSTFOVIKW-WMZOPIPTSA-N 273.420 3.766 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCCCCC(C)(C)C 473568478 GHQYWHWJAKPUKP-MRXNPFEDSA-N 269.429 3.548 30 20 CHED C=CCCCCNC(=O)N1c2ccccc2C[C@@H]1C 474071984 ADRDPNPJEUXFPO-ZDUSSCGKSA-N 258.365 3.504 30 20 CHED CC[C@@H](C#N)NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 475677895 NORSTQBANDXSKR-ZETCQYMHSA-N 296.157 3.507 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@H](c3ccc(F)cc3)C2)c1 483102677 XHFGMFNLKCAFKA-HNNXBMFYSA-N 298.336 3.826 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC(C1CC1)C1CC1 483889086 VHKKXNGLCMAQLB-UHFFFAOYSA-N 290.451 3.953 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3ccc(C#N)nc3)C2)cc1 486470740 ZGIMNFVATXIYQD-ZBFHGGJFSA-N 277.371 3.644 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)cc1 486736013 LBMQBISQJZECOS-UHFFFAOYSA-N 264.372 3.807 30 20 CHED Cc1[nH]c(=N[C@@H](C)c2ccc(OC(C)C)cc2)ccc1C#N 488076405 MZBYVXJJUHMBIK-ZDUSSCGKSA-N 295.386 3.644 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H](C)c1ccc(C)cc1 488371451 TWDNAZWNYGDUHG-OAHLLOKOSA-N 282.387 3.816 30 20 CHED C[C@H](CC(=O)N(CC#N)c1ccccc1)c1ccc(F)cc1 495491139 RYGQNBCBTTVPRA-CQSZACIVSA-N 296.345 3.876 30 20 CHED CC(C)[C@H](CC(=O)N(C)CC(C)(C)C#N)c1ccccc1 497441002 OHLRNFKZKTYAEM-INIZCTEOSA-N 286.419 3.824 30 20 CHED C=CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1 498262864 VAFCABKJQPMMES-CQSZACIVSA-N 293.366 3.843 30 20 CHED COc1ccc(CNc2cccc(C#N)c2C)cc1C 500730375 BPBJKTRYVGJMSA-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CC[C@@H](CC)N[C@@H](C(=O)N(CC)CC)c1ccccc1 500815945 NDLWMGYIDQBAGD-IAGOWNOFSA-N 288.435 3.540 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(F)cc1Cl 500860026 DNKFKOPMBOFVML-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)s2)c2ccccc21 507854152 DCPXPLUSNVQXGY-NSHDSACASA-N 254.358 3.743 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@H](C(C)C)C1 508808391 GWIDPZSPRUMCMS-HNNXBMFYSA-N 288.439 3.604 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCCOCc1ccccc1 512359269 DHFFQUCEXNKVJV-UHFFFAOYSA-N 289.419 3.654 30 20 CHED CC(C)(C)CN(C/C=C\c1ccccc1)CCC#N 513712987 IPEAOFBXMPZUFY-XFFZJAGNSA-N 256.393 3.962 30 20 CHED Cc1ccc(OC(F)F)c(Cn2cc(C)c(C#N)c2)c1 516903381 YXDKDJOINOTNIB-UHFFFAOYSA-N 276.286 3.626 30 20 CHED C=CCCn1c(-c2ccccc2)c(CC)sc1=O 525113583 YFKDHCCERVYLHF-UHFFFAOYSA-N 259.374 3.715 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)c(C#N)c1)C1CCCCC1 525662233 IPIFYEGXRLHPNL-CYBMUJFWSA-N 295.386 3.975 30 20 CHED C=C(C)CN1CCC(NCC(C)(C)C(F)(F)CC)CC1 527656609 HXHRBSHDUIWQAY-UHFFFAOYSA-N 288.426 3.688 30 20 CHED CC1(C)COc2cc(NC(=O)c3cc(C#N)cs3)ccc21 529646835 WSOAPFHYPZPQNW-UHFFFAOYSA-N 298.367 3.542 30 20 CHED CC(C)C[C@H]1CCCN1CC#Cc1ccc(F)cc1 533005069 VXVGDTQBTUGXJQ-QGZVFWFLSA-N 259.368 3.688 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(F)cc1C#N 534886191 QZOYHAZEDADSTE-JTQLQIEISA-N 262.328 3.708 30 20 CHED C=CCCOCCCCC(=O)NC1C[C@@H](C)C[C@H](C)C1 537202017 ZPGRHIJDARIXAL-GJZGRUSLSA-N 281.440 3.690 30 20 CHED Cc1ccc(OCCN[C@H](C)c2ccc(C#N)c(F)c2)cc1 539609344 FHNHCICWIVCFOU-CQSZACIVSA-N 298.361 3.735 30 20 CHED COc1ccc(C2(NCCCC(C)(C)C#N)CC2)cc1 540360649 TVKHPYCYHAJJJS-UHFFFAOYSA-N 272.392 3.604 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)c1nc2ccccc2o1 540872275 NVCLOWPHMCHDTD-NSHDSACASA-N 293.326 3.881 30 20 CHED CS[C@@H](CNc1ccc(C#N)cc1F)C(C)(C)C 541275869 CRNSOGZEIJWQRQ-ZDUSSCGKSA-N 266.385 3.887 30 20 CHED CCCCCc1ccc(NC(=O)NCCCC#N)cc1 542359731 UHWNXMATBKSKSQ-UHFFFAOYSA-N 273.380 3.845 30 20 CHED C=CCOc1ccc(CNC(=O)CC(C)(C)C2CC2)cc1 552103464 VLSINOHSZWOOMB-UHFFFAOYSA-N 287.403 3.694 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C[C@@H]2C=CCCC2)c1 552576641 JFRWIVZIDWBNTN-CYBMUJFWSA-N 295.386 3.817 30 20 CHED Cc1ccc(C)c(-n2ncc(N[C@H]3CC[C@@H](C#N)C3)c2C)c1 555951418 NYWATACDVUTVGW-CVEARBPZSA-N 294.402 3.902 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2c(s1)CCCCCC2 556792836 YAOAZTYJKBFVEC-OAHLLOKOSA-N 291.420 3.680 30 20 CHED Cc1cc(=N[C@H](C)c2ccc(OC(C)C)cc2)cc(C#N)[nH]1 558914707 PXDBHCUIQPQKDA-CQSZACIVSA-N 295.386 3.644 30 20 CHED Cc1ccc2nc(C(=O)N[C@](C)(C#N)CC(C)C)ccc2c1 559371832 XUBFOHKHQWTYGZ-SFHVURJKSA-N 295.386 3.601 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(CN(C)CCCC)CC1 559795180 DOOQRCZKCGUFOW-UHFFFAOYSA-N 294.483 3.559 30 20 CHED CN(Cc1cc(C#N)n(C)c1)[C@H]1CCC[C@@H]1C(C)(C)C 562811931 OGLIWERPRMKWHT-HOTGVXAUSA-N 273.424 3.543 30 20 CHED C=CCCCCCNc1cc(Cl)cc2c1OCC(=O)N2 563999004 NTIUTQYQRFQUJW-UHFFFAOYSA-N 294.782 3.829 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C3CCC3)cc2)C1 566734869 QQLBBVMHGCNBCS-BLLLJJGKSA-N 283.375 3.768 30 20 CHED CC(C)N(C)C[C@@H](C)Nc1ccc(C#N)cc1C(F)(F)F 568575936 GTVKAQDTFLNZMS-LLVKDONJSA-N 299.340 3.718 30 20 CHED C=CCCCCSc1nnc(C2CC2)n1CC 570038328 VDMPUIKYGPJSQR-UHFFFAOYSA-N 251.399 3.624 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N1CCC(CCC#N)CC1 570968444 ROJJQMZXQPAUEK-JKSUJKDBSA-N 276.424 3.745 30 20 CHED N#CCCC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 571405445 YGILMSLRXJICJV-DAXSKMNVSA-N 299.374 3.624 30 20 CHED C=CCC[C@@H](C(=O)N1CC(C2CCC2)C1)c1ccccc1 578331435 UYZOPKGINTVRQU-GOSISDBHSA-N 283.415 3.995 30 20 CHED Cc1cc(N2CC3(CCCCC3)C2)c(C#N)cc1[N+](=O)[O-] 581357084 RVZLUSSMLNPTQM-UHFFFAOYSA-N 285.347 3.545 30 20 CHED C=CCOc1cccc2cc(Br)cnc12 583834779 ZAQQWQLQBCYAKZ-UHFFFAOYSA-N 264.122 3.562 30 20 CHED CC[C@H](C)N(C)C(=O)c1sc2ccc(C#N)cc2c1C 590035567 GYLXSRJROWYWJE-JTQLQIEISA-N 286.400 3.952 30 20 CHED CC1(C#N)CCC(N[C@H]2COc3c(Cl)cccc32)CC1 590646762 IVUUKIHRWOSHPP-WMEQCIOUSA-N 290.794 3.836 30 20 CHED CCC[C@@H](NC(=O)CCCCCC#N)C(C)(C)C 590773351 ARAKTVUOJONAGA-CYBMUJFWSA-N 252.402 3.791 30 20 CHED CC(C)[C@H]1CN(C(=O)CCCCCC#N)[C@H]1C(C)C 590874596 AHTCBCQTZLJFHR-ZBFHGGJFSA-N 264.413 3.599 30 20 CHED C[C@H](c1ccccc1)n1cc(N[C@@H]2CCC[C@@H](C#N)C2)cn1 592395281 VQGFFCYUCOGMQW-BFYDXBDKSA-N 294.402 3.987 30 20 CHED Cc1ccc(-c2ccc(CN(C)C)c(F)c2)cc1CC#N 592985797 CQNQXZYLVPNWPX-UHFFFAOYSA-N 282.362 3.929 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 593489187 GJUURNGSZRLABB-YIKOMLBNSA-N 290.794 3.703 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC1(SC)CCOCC1 595028794 VHASLDHPXWEMIF-LSDHHAIUSA-N 283.481 3.623 30 20 CHED N#Cc1ccc(CCN[C@H]2CCCOc3ccccc32)cc1 595056032 PGSXOARAFUGRCG-SFHVURJKSA-N 292.382 3.604 30 20 CHED N#CC[C@H]1CCCN(C(=O)NCCCC2CCCCC2)C1 595454037 HKUIOGGIIASRHG-MRXNPFEDSA-N 291.439 3.682 30 20 CHED C=CCC1(NCCCC2(C#N)CCOCC2)CCCC1 595780233 MGXNAKUKSFNRMV-UHFFFAOYSA-N 276.424 3.565 30 20 CHED Cc1nc(N[C@@H]2CCc3ccc(O)cc32)c(Cl)cc1C#N 596487548 HFGSUDSVRRFUBT-OAHLLOKOSA-N 299.761 3.720 30 20 CHED Cc1ccc(CN(C)C(=O)CC2(C#N)CCCCC2)s1 597120072 CNFADCJKXRSQFP-UHFFFAOYSA-N 290.432 3.879 30 20 CHED CC(C)C[C@@H](C(=O)NC[C@@H](C)C#N)c1ccc(Cl)cc1 597201103 LSRHPNIJKUCNQX-SWLSCSKDSA-N 292.810 3.746 30 20 CHED CC[C@H](C(=O)N1CCC[C@H](CC#N)C1)C1CCC(C)CC1 597904482 HFOVMEGIDVWVBT-MYBQVCMBSA-N 290.451 3.991 30 20 CHED N#CCCCC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 597963946 ROJWYLUCKPLISW-UHFFFAOYSA-N 297.185 3.572 30 20 CHED C=CCCSCCNC(=O)C[C@H](C)c1cccc(F)c1 597972648 OGZYTKVQFFZYRR-ZDUSSCGKSA-N 295.423 3.745 30 20 CHED CC1(C)CCN(C(=O)c2sccc2C#N)CC(C)(C)C1 598185058 IWNSKNUTDNWMEU-UHFFFAOYSA-N 290.432 3.908 30 20 CHED CCC(C#N)(CC)c1nc([C@@H]2CSc3ccccc32)no1 599163011 CVVPEVHZTMLECC-GFCCVEGCSA-N 299.399 3.889 30 20 CHED C=CC1CCN(CCCOc2ccccc2C)CC1 600680019 SZKSDQHBTBMEEK-UHFFFAOYSA-N 259.393 3.662 30 20 CHED Cc1ccc(-c2ccc3c(c2)CN[C@H](C)C3)c(C#N)c1 600778539 XMMWGWACJVFKJO-CYBMUJFWSA-N 262.356 3.568 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)c1ccccc1CC#N 601607052 FIALMCLFIOLHBM-AWEZNQCLSA-N 270.376 3.617 30 20 CHED C[C@H](CCC#N)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 602443834 WTBUSUVZOHBQCX-CZUORRHYSA-N 292.810 3.653 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccc(Br)cc1F 602927971 ZYJCRRHZYMQWCH-JTQLQIEISA-N 299.187 3.712 30 20 CHED C=CCCN(C)CCCOc1ccc(Cl)cc1 606897062 LLZBDRVXTVLESM-UHFFFAOYSA-N 253.773 3.617 30 20 CHED CC(C)(C)c1csc(CN2CCC[C@](C)(C#N)C2)n1 612158642 NKIAVWMETSJQJK-OAHLLOKOSA-N 277.437 3.566 30 20 CHED Cc1ccc(-c2ccc(CN3CC[C@](F)(C#N)C3)o2)cc1 615651257 RGBFATDWBXWCFO-KRWDZBQOSA-N 284.334 3.693 30 20 CHED C=C[C@H](Nc1cccc(Sc2ccccc2)c1)C(=O)OC 619701461 JINTVFVMTOHWOW-INIZCTEOSA-N 299.395 3.977 30 20 CHED C=CCC[C@H](NCc1ccns1)c1ccccc1 624047647 JZHGZRRQVQWJBY-HNNXBMFYSA-N 258.390 3.940 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 624111808 GGAMZQOKTWNAFE-RYUDHWBXSA-N 288.382 3.521 30 20 CHED C=CCN(Cc1cccs1)C(=O)N1CCCC[C@H]1C 655468832 JEMLVMXKTYNMLB-CYBMUJFWSA-N 278.421 3.731 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1c2ccccc2O[C@H]1C 664912607 LTMXPOHACQVQHU-SWLSCSKDSA-N 288.391 3.553 30 20 CHED C=CCN(C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl)C1CC1 666821757 NIOSCHDGPGREQC-DZGCQCFKSA-N 290.794 3.556 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(Cl)ccc1OCC 675933718 NSRZQTGEAWOOQM-QWRGUYRKSA-N 253.773 3.964 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(Cl)ncc2Cl)C1 703690195 LJHVNAUNJYTVFP-SNVBAGLBSA-N 299.201 3.817 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cccc(F)c2Cl)c1 720294247 QWOSUQCWUQDSKP-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1c(Br)cncc1N[C@H](C)CC(C)(C)C#N 722707916 CJRHNIGIVCOEEY-SECBINFHSA-N 296.212 3.893 30 20 CHED COc1ccc(C(C)=NNc2ncnc3sccc23)cc1 725818362 KUJBCCDVPMGRAH-UHFFFAOYSA-N 298.371 3.536 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1scnc1C 726427098 PVTGTGKBQHUUFR-UHFFFAOYSA-N 297.330 3.889 30 20 CHED C#CCCCOC(=O)/C=C\c1ccccc1OC(F)(F)F 727040801 HWWZVLRCNJUZSR-KTKRTIGZSA-N 298.260 3.555 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C=C1CCCC1 729433350 PTRBWEAXGBPYHN-UHFFFAOYSA-N 262.397 3.665 30 20 CHED C=C(C)COC(=O)CCOc1cc(C)cc(C)c1C 730690446 UBJHOUCOHVFHJA-UHFFFAOYSA-N 262.349 3.500 30 20 CHED CC(=NNc1cc(C)ncn1)c1cc(C)c(C)cc1C 731934719 GCMWOEKCULHPFY-UHFFFAOYSA-N 268.364 3.546 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1nc2ccc(Cl)cc2[nH]1 732568746 JQBXYHFWZMWYSE-VIFPVBQESA-N 297.749 3.656 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](CC)Cc2ccccc2)c1 732737635 LRAPNMIGKGQPEE-GOSISDBHSA-N 291.394 3.900 30 20 CHED C=CC[C@H](C)NC(=O)/C=C/c1ccc2cc(OC)ccc2c1 735068015 RDTZHAXRHGWACR-OIOXUXFSSA-N 295.382 3.942 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H]2CCC[C@@H](SC)C2)c1 735229040 PIDIMUAQTIZWTM-DRMGDSRLSA-N 293.432 3.884 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CC(C)C)c1ccccc1 736397584 BAYSGDHOQURRAG-CQSZACIVSA-N 280.799 3.826 30 20 CHED COc1cccc(/C=N\C[C@@H](C)Cc2cccs2)c1O 741465658 XDNTZUKRSAFFJW-UEMWTREESA-N 289.400 3.760 30 20 CHED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)[C@H]1CCOC1 741756096 GXRITLLYLRWAGT-HNNXBMFYSA-N 297.402 3.984 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H](C)OCCC(C)C)cc1 742860440 XBNGSTOAMVHRKC-CQSZACIVSA-N 292.375 3.608 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 748234667 VKDZBEUUTUYWEQ-ZDUSSCGKSA-N 286.371 3.646 30 20 CHED CCCNN=C(C)[C@H](C)c1nc2ccccc2s1 748784717 AQLUGQXSRPKZNY-JTQLQIEISA-N 261.394 3.775 30 20 CHED CC(C)c1ocnc1C(=O)N[C@H](CCC#N)c1ccccc1 749164686 NCLMBCWEVWLVMF-CQSZACIVSA-N 297.358 3.573 30 20 CHED CCCCCCCC(=O)N[C@](C)(C#N)CC(C)C 749616584 XJNGGZUHXBKYGB-HNNXBMFYSA-N 252.402 3.791 30 20 CHED C/C(=C\C(=O)N[C@@H](C#N)CC(C)C)c1cccc(Cl)c1 749956073 WAPUMSRVLXAXTR-INDWDQIESA-N 290.794 3.798 30 20 CHED C[C@@H](NN=C[C@H]1CCOc2ccccc21)c1ccccc1 752164968 RFEJOKQRQYGYAD-GDBMZVCRSA-N 280.371 3.889 30 20 CHED C#C[C@@H](CC)NC(=O)N(CCC)[C@H](CC)c1ccccc1 753242361 CGPHGSXBLFYYCM-DLBZAZTESA-N 286.419 3.971 30 20 CHED COc1ccc2c(c1)O/C(=C/c1cc(F)cc(F)c1)C2=O 755598032 BKAXRDOYSWQGHR-GIDUJCDVSA-N 288.249 3.590 30 20 CHED C#CC[C@H](NC(=O)/C=C/C(=C\C)CC)c1ccccc1 757595105 DOKTWRMDKBIEBN-ZXKGUALNSA-N 267.372 3.780 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)c1ccccc1F)c1ccccc1 757601024 WBUDPBHHJIAMLJ-KDOFPFPSSA-N 295.357 3.810 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1CCC1CCCC1 758732168 WAGVNQLFWDNJJS-MRXNPFEDSA-N 261.409 3.751 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)ccc2F)C1(C)C 759667943 ZORUYZRCQKHLOV-AWEZNQCLSA-N 264.344 3.737 30 20 CHED FC(F)(F)[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 761045315 FYTNGTLOKZLKTO-LBPRGKRZSA-N 287.712 3.576 30 20 CHED C=CCCC(=O)COC(=O)c1ccccc1SC(C)C 761350099 QZIAWWZGIGSTCQ-UHFFFAOYSA-N 292.400 3.879 30 20 CHED C=CCCC(=O)COC(=O)c1ccc2sccc2c1 761424168 ZJRWPRBEIBIGQG-UHFFFAOYSA-N 274.341 3.593 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1F 762442367 JPJIFPYALLGHAY-XQRVVYSFSA-N 271.316 3.963 30 20 CHED Cc1cc(C=NNCCc2ccccc2F)c(C)s1 764721602 GBJMPLRQFPUEEV-UHFFFAOYSA-N 276.380 3.670 30 20 CHED C#CCCCn1cnc2scc(-c3ccccc3)c2c1=O 766284570 MZZNSVWGJQMBLN-UHFFFAOYSA-N 294.379 3.538 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1ncccc1[N+](=O)[O-] 766710003 DZYJASSRHJNYMI-LLVKDONJSA-N 296.330 3.622 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 767099872 LDAUXTVFQXQQMP-OAHLLOKOSA-N 275.436 3.855 30 20 CHED C[C@@H](C(=O)OCc1ccccc1C(C)(C)C#N)C(F)(F)F 768038685 CZVBCUZBIJCVGA-JTQLQIEISA-N 299.292 3.729 30 20 CHED CCCN(Cc1ccc(O[C@H](C)C#N)cc1)CC(C)C 768480021 WSTWVHYAFOFUAB-OAHLLOKOSA-N 274.408 3.845 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc2ncoc2c1 768670515 OLUNQMHKAYDHDP-UHFFFAOYSA-N 286.331 3.705 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@@H]1CCC[C@H]1C 769284480 SWGISIGCCYVBNX-OCCSQVGLSA-N 287.359 3.689 30 20 CHED N#C[C@H](C(=O)[C@H](F)c1ccccc1)c1nc2ccccc2o1 769290288 CFIWHLVNBUXEFE-IUODEOHRSA-N 294.285 3.715 30 20 CHED C=CCCCOC(=O)C1CCC(C(F)(F)F)CC1 769437364 HCMGZEIAHCHXST-UHFFFAOYSA-N 264.287 3.865 30 20 CHED C[C@H](C=NN1CCCC1=O)Cc1ccc(C(C)(C)C)cc1 769590988 ZXAORCOYWYRWKX-AWEZNQCLSA-N 286.419 3.771 30 20 CHED C=CCCCCNC(=O)/C=C\Sc1ccccc1 770081003 CFXVJWOKYFTNLT-QBFSEMIESA-N 261.390 3.765 30 20 CHED C[C@@H](C#N)COC(=O)c1cc(C2CC2)nc2ccc(F)cc12 770934824 ANYIQXNGRJBNFF-JTQLQIEISA-N 298.317 3.568 30 20 CHED CCCCCCCCC(=O)N(C)C1CCC(CO)CC1 771559692 GYPGPSBNXVAFPL-UHFFFAOYSA-N 283.456 3.747 30 20 CHED C=Cn1cc(C=NNc2nc(-c3ccccc3)cs2)cn1 773027238 XOBMCUBSYISVSX-UHFFFAOYSA-N 295.371 3.553 30 20 CHED C#CCCCCN[C@@H](Cc1cccc(C)c1)C1CC1 773035703 IQUFKCCFVIMTEQ-SFHVURJKSA-N 255.405 3.709 30 20 CHED CCSc1ccc(C(C)=NOC2CCOCC2)cc1 774435838 WHRPCJGEHFXMIJ-UHFFFAOYSA-N 279.405 3.718 30 20 CHED N#Cc1ccc(COC(=O)C2=CCCCCC2)c(F)c1 775059620 VUEWSVXNKFMVKT-UHFFFAOYSA-N 273.307 3.631 30 20 CHED C#C[C@@H](C)N(C)Cc1cc(Cl)ccc1Br 775179152 LICNMQBLARKRPR-SECBINFHSA-N 286.600 3.556 30 20 CHED N#CC1(COC(=O)c2cccc(Oc3ccccc3)c2)CC1 775828663 QTAOTZZXTBJDAV-UHFFFAOYSA-N 293.322 3.939 30 20 CHED CCc1cnccc1C(=O)/C=C/c1sccc1OC 776192324 OKLQHUSRYUEABE-SNAWJCMRSA-N 273.357 3.610 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1cccc2cnccc12 780226186 VWXQEVQFJKWZJQ-UHFFFAOYSA-N 289.338 3.703 30 20 CHED COc1ccc(NN=C2CCC[C@H]2Cc2ccccc2)nc1 780265968 WSSLZSMBSIRCCK-HNNXBMFYSA-N 295.386 3.901 30 20 CHED Cc1cc(C(=O)OCC2(C#N)CCCCC2)c2n[nH]cc2c1 780487653 XTIBWHHHQPBPFE-UHFFFAOYSA-N 297.358 3.502 30 20 CHED CON=Cc1ccc(C(=O)OC2(c3ccccc3)CC2)cc1 781745250 AYBVDTPAAJEINB-UHFFFAOYSA-N 295.338 3.513 30 20 CHED Cc1cccc([C@@H](C)OC(=O)CNc2ccc(C#N)cc2)c1 783092454 GEQNNMQRTIVFBQ-CQSZACIVSA-N 294.354 3.583 30 20 CHED C#CCOc1ccc(CNC[C@H](SC)C(C)(C)C)cc1 784625493 FWMGFAVTSXNHOZ-INIZCTEOSA-N 291.460 3.566 30 20 CHED C=C[C@H]1CCCCN1c1ncnc2sc(C)cc12 784676831 QKXKWAVTBRXYCL-NSHDSACASA-N 259.378 3.545 30 20 CHED CC(=NNc1ccc(F)cn1)c1csc(Cl)c1 787154955 MVUQBHRLEHFRDA-UHFFFAOYSA-N 269.732 3.772 30 20 CHED c1ccc([C@@H]2CCCCC2=NOC[C@@H]2CCOC2)cc1 788036155 FBUKTHDLGYKQKL-ZBFHGGJFSA-N 273.376 3.753 30 20 CHED C=CC[C@H](C)N[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 788256839 HUWYPMPACCHIRZ-ZNMIVQPWSA-N 296.455 3.767 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNCCc1ccccn1 789112046 AHEUEIKVEZUNPN-MRXNPFEDSA-N 273.424 3.972 30 20 CHED N#Cc1cccc(NN=Cc2ccsc2Cl)c1 790155679 PMDGJKINDXUFEX-UHFFFAOYSA-N 261.737 3.719 30 20 CHED CC(C)c1ccoc1C(=O)OCc1cc(C#N)ccc1F 790816449 QDQMLLSEXWZBCB-UHFFFAOYSA-N 287.290 3.771 30 20 CHED CC(C)CCN(CCC#N)Cc1c(O)ccc(Cl)c1F 792167653 NUVPXRHKXDVANX-UHFFFAOYSA-N 298.789 3.946 30 20 CHED C=CCC1(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 792534626 FRVLHWVHVREJJO-UHFFFAOYSA-N 294.738 3.933 30 20 CHED CC[C@H](C)CON=C(C)c1ccc(N2CCCC2=O)cc1 793144103 BOBPKFFVPKCVEF-ZDUSSCGKSA-N 288.391 3.600 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2ccc(Cl)cc2)[C@@H]1C 794445938 UPWVOTNCWWLTBW-MNOVXSKESA-N 294.782 3.717 30 20 CHED O=C(/C=C\c1cccc(Cl)c1F)c1ccnc(F)c1 794717606 AADDRCDXZYZIKS-PLNGDYQASA-N 279.673 3.909 30 20 CHED CCCC[C@@H](CC)C(=O)NO[C@H](C)c1cccc(C#N)c1 794726044 JXZOIZQCXLCVMJ-UKRRQHHQSA-N 288.391 3.883 30 20 CHED CC(CCc1cccc(F)c1)=NNc1ncccc1F 794981659 ZJADRTUAWCDVDJ-UHFFFAOYSA-N 275.302 3.780 30 20 CHED C=CCCC(=O)OC[C@H](OC(C)C)c1ccccc1 795369312 GUSTXMSPYRCOGC-HNNXBMFYSA-N 262.349 3.662 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H]1CCc2cc(Cl)ccc21 795878552 CKGVCMRAYVKDCO-XHDPSFHLSA-N 262.784 3.809 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc(OC(F)F)cc1 797037301 PRGQYSXIMOCLNX-BONVTDFDSA-N 297.301 3.832 30 20 CHED COc1ccc(NN=C2CSc3cc(C)ccc32)cc1 797786530 ZZCNLDLFPPUGNV-UHFFFAOYSA-N 284.384 3.926 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](C)c1cc(F)cc(F)c1 797953342 CRMXVRZSXCCYAN-MRVPVSSYSA-N 291.253 3.656 30 20 CHED CC(C)C[C@@H](C)C=NNc1nnc(-c2ccccc2)n1C 799109090 VCLLWRCWASJFGT-CYBMUJFWSA-N 285.395 3.562 30 20 CHED Fc1ccc(NN=C2CCCC23CCOCC3)cc1 799865833 ZBGNUQYZSUPXAA-UHFFFAOYSA-N 262.328 3.574 30 20 CHED CSC1(C=NNC(=S)Nc2ccc(C)cc2)CCC1 800805036 NRAHXPNIOJMAGE-UHFFFAOYSA-N 293.461 3.553 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2ccsc2)CCCCC1 801018196 QBVRYLRZSOVMRY-CYBMUJFWSA-N 275.417 3.899 30 20 CHED C=C(Cl)COC(=O)c1ccccc1Oc1ccncc1 801500771 XSWJAIYNDQQOAJ-UHFFFAOYSA-N 289.718 3.783 30 20 CHED C=CCC1(C(=O)OC[C@H](OC)c2ccccc2)CCC1 801859699 IXJMGSYYBJZWKH-HNNXBMFYSA-N 274.360 3.664 30 20 CHED CC1(C)CC(C(=O)OCc2ccc(C#N)cc2Cl)C1 802794472 CBHLUPGUIZQHNB-UHFFFAOYSA-N 277.751 3.691 30 20 CHED N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 802892063 YVQTVLJFLIFXFH-SOUVJXGZSA-N 298.386 3.809 30 20 CHED CC[C@](C)(C#N)C(=O)OCCCOc1cccc(Cl)c1 803786942 RCNSUQWMGAGVFQ-OAHLLOKOSA-N 295.766 3.592 30 20 CHED C[C@@H](Cn1ccc2ccccc21)C(=O)OCCC(C)(C)C#N 803797360 JQCIHDWISNACQB-AWEZNQCLSA-N 298.386 3.760 30 20 CHED CC(C)(C)c1ccc(COC(=O)c2cnccc2C#N)cc1 805717347 YJACTHHOMFCLHT-UHFFFAOYSA-N 294.354 3.608 30 20 CHED CC(C)CC[C@H]1CCCC1=NN[C@H]1CCSC1 808001535 LSGBSCPYNWVDMP-OLZOCXBDSA-N 254.443 3.674 30 20 CHED CCCCCCCOC(=O)c1ocnc1C1CC1 808678448 QPTZPFTXTREBGW-UHFFFAOYSA-N 251.326 3.679 30 20 CHED C#CCOc1ccccc1-c1noc(C2(CC=C)CCC2)n1 809395581 NIRXXZTVAUTSFO-UHFFFAOYSA-N 294.354 3.746 30 20 CHED C#C[C@H](NCc1csc(-c2cccs2)n1)C(C)C 809685357 PGBDPORKPMBAEI-LBPRGKRZSA-N 276.430 3.619 30 20 CHED C=C(Cl)CNC(=O)c1ccc(C2CCCC2)cc1 810421751 OJWQRUYEVIVJJS-UHFFFAOYSA-N 263.768 3.827 30 20 CHED C=CCCCCOC(=O)C[C@H]1CCO[C@H](C(C)C)C1 811012282 FCVBINPZNWYAQI-GJZGRUSLSA-N 268.397 3.727 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccnc(Cl)c1Cl 811496718 JBYGCPZHZWXNHF-LLVKDONJSA-N 271.191 3.929 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](CCCCC)c1ccccc1 812025611 BJXUAYPOEIATSC-NVXWUHKLSA-N 286.419 3.971 30 20 CHED C#Cc1ccc(CNC[C@@H]2CCCCC(F)(F)C2)cc1 814170147 SDIMIABOGGAROD-MRXNPFEDSA-N 277.358 3.973 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 814387310 OIFYSZVJGLZZTJ-SJORKVTESA-N 296.414 3.725 30 20 CHED Cc1ccc(NN=C2CC(c3ccccc3)C2)nc1 814831616 JSNFDTGEJRJUFC-UHFFFAOYSA-N 251.333 3.736 30 20 CHED Clc1ccc(Cl)c(NN=C[C@H]2CCCOC2)c1 814860235 DNVXGSUDYZMOGS-SECBINFHSA-N 273.163 3.818 30 20 CHED Fc1ccc(NN=C2CC(C(F)F)C2)c(F)c1F 814945759 OUPZPLFLLIJQKB-UHFFFAOYSA-N 264.197 3.547 30 20 CHED C#Cc1cccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)c1 820255778 PDXLIMXCWHWUQA-LLVKDONJSA-N 282.170 3.580 30 20 CHED C#C[C@H](NC(=O)N1[C@@H](C)CC[C@H]1C)c1ccc(Cl)cc1 820566046 ZFZCBWJEDZHIMX-ZOWXZIJZSA-N 290.794 3.597 30 20 CHED C[C@@]1(CCOC(=O)CCCCCC#N)C[C@]1(F)Cl 822040775 MAGJZFCEGLUNQJ-CHWSQXEVSA-N 275.751 3.708 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccnc1Cl 822525597 JKNXEPOSVPQUQF-GFCCVEGCSA-N 285.778 3.800 30 20 CHED C#CC[C@@H](NC[C@@]1(C)CC1(Cl)Cl)c1ccccc1 828687462 KVGXFULXACKULB-ZIAGYGMSSA-N 282.214 3.925 30 20 CHED N#CCCCCCC(=O)OC[C@H]1CCCCC1(F)F 835632159 DQUHMMVWRHQKJM-GFCCVEGCSA-N 273.323 3.829 30 20 CHED Cc1cc(C)cc(CON=Cc2ccccc2F)c1 836718070 XEZLHBFKZRAADP-UHFFFAOYSA-N 257.308 3.993 30 20 CHED CSCc1cccc(NC(=O)C#CC(C)(C)C)c1 837408533 POMSIUUYTNOZQK-UHFFFAOYSA-N 261.390 3.538 30 20 CHED CC(C)C[C@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 837433658 FABXQIYXDPLEJT-INIZCTEOSA-N 289.806 3.957 30 20 CHED N#CCc1cccc(C(=O)OCC2CCC(F)(F)CC2)c1 837442475 OTIPPFNFDKXQGZ-UHFFFAOYSA-N 293.313 3.735 30 20 CHED Cc1cc(COC(=O)[C@]2(C#N)CC23CCCC3)c(C)s1 837902953 LLYIJBHDPKPLNQ-MRXNPFEDSA-N 289.400 3.882 30 20 CHED N#C[C@]1(C(=O)OCCCc2ccsc2)CC12CCCC2 837904095 WDFDUEUWKCTEGD-INIZCTEOSA-N 289.400 3.698 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@H](c2ccccc2)C2CC2)C1 839052927 HSOFBYOKMPTKKS-XOKHGSTOSA-N 283.371 3.806 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(C(=O)OC)c(Cl)c1 839325385 GZLSPFXTHURCKL-UHFFFAOYSA-N 296.750 3.634 30 20 CHED C#Cc1ccc(CNCc2cnccc2C(C)(C)C)cc1 840958396 JHOLIOBSJWWKDO-UHFFFAOYSA-N 278.399 3.650 30 20 CHED CCC(=NNc1ncccc1C(F)(F)F)[C@H]1C[C@H]1C 841617577 IYPLGIPHWWHVGW-BDAKNGLRSA-N 271.286 3.934 30 20 CHED C=CCCCCCn1ccnc1[C@H](O)c1cccs1 842053726 AGNMYYAXZORHMK-CQSZACIVSA-N 276.405 3.773 30 20 CHED CC(C)C(CCc1ccc(Cl)cc1)=NN(C)[C@@H](C)CO 842540680 MAPDXVCIAXRXNP-ZDUSSCGKSA-N 296.842 3.597 30 20 CHED Cc1ccccc1[C@@H]1CN(c2ccc(C#N)cc2C)CCO1 846749732 PMFXOCFVWZYTCU-IBGZPJMESA-N 292.382 3.753 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2scnc2C(C)C)c1 847193860 RHUUSPDVDAPGMG-UHFFFAOYSA-N 299.399 3.916 30 20 CHED CCCN(Cc1ccccc1O)[C@H](C#N)c1ccccc1 851793151 XFAGTEIYIGSPIH-QGZVFWFLSA-N 280.371 3.869 30 20 CHED C#C[C@@](C)(CC)NCCC(=O)Nc1cccc2ccccc12 852102518 YSMSSQZQIVSNOW-IBGZPJMESA-N 294.398 3.560 30 20 CHED CC(C)Nc1ccc(Cl)cc1NC(=O)C#CC1CC1 855238037 OTVPSCOYVJZWKU-UHFFFAOYSA-N 276.767 3.512 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1nn(C)cc1Cl 858682750 OBZCWICKLGVYBJ-LBPRGKRZSA-N 299.846 3.800 30 20 CHED Cc1cc(C)c(NN=Cc2cnc(C3CC3)o2)c(C)c1 863096711 SGMVCUFJNXSSIH-UHFFFAOYSA-N 269.348 3.923 30 20 CHED c1ccc(COCCCNN=C2CCCC23CCC3)cc1 863176570 WJEBVZCEGVBTBG-UHFFFAOYSA-N 286.419 3.893 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1c(O)cccc1F 886578138 LBGHDTAYBQVAQW-LBPRGKRZSA-N 296.345 3.743 30 20 CHED C=C1CCC(C(=O)Nc2c(F)cccc2F)CC1 887611698 NJNMITPPCQCZKH-UHFFFAOYSA-N 251.276 3.650 30 20 CHED C=C1CCC(C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 890052251 IFTFVYKQTZHSCI-GFCCVEGCSA-N 273.380 3.539 30 20 CHED C=C1CCC(c2nc([C@H]3CC3(Cl)Cl)no2)CC1 896815093 MTDBFFYRKHMORY-SECBINFHSA-N 273.163 3.945 30 20 CHED C[C@H]1/C(=C/c2cn(C)nc2C2CC2)C(=O)c2ccccc21 899373935 KVXFHIXZOFPJKT-WIWNTQSISA-N 278.355 3.681 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2cn(C(C)C)nn2)c1 901524754 NIZIGISXVOJERW-HJWRWDBZSA-N 299.374 3.542 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1nc2ccccc2s1 901804041 POBBNUAPPUUBRY-LLVKDONJSA-N 274.389 3.861 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC)c1ccc(C#N)cc1 903636815 OIYCMWSFMUGPPP-ZDUSSCGKSA-N 256.349 3.513 30 20 CHED C=CCCC[C@@H](N)c1nc(C2(c3cccc(C)c3)CC2)no1 904722174 QUNXRJDXXAMLLD-OAHLLOKOSA-N 297.402 3.814 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cs1 908661548 TVNYLGAKONHYOI-LLVKDONJSA-N 297.807 3.541 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H]2CCCc3ccccc32)c1 912962646 XGAKDOHUZSLYFX-NPRIEWAGSA-N 295.382 3.940 30 20 CHED C/C=C/C=C\C(=O)N(Cc1ccco1)c1ccccc1C#N 914515330 PDVBQDMUPHAWRM-ICKRUQPGSA-N 292.338 3.817 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc2c(c1)CCC(=O)N2 915993631 UQCNUDIYMMPMPH-WAYWQWQTSA-N 297.379 3.837 30 20 CHED CC(CCc1ccco1)=NNc1cccc([N+](=O)[O-])c1 917022992 CJDUJVDWORQMJK-UHFFFAOYSA-N 273.292 3.608 30 20 CHED Cc1ccc(NCCCOc2ccc(C#N)cc2)cc1F 917802207 CEWGFLXLIVWITK-UHFFFAOYSA-N 284.334 3.887 30 20 CHED COc1cccc(C(C)=NN[C@H](C)c2ccccc2)c1 920385670 FTQJFMALPBRXPN-CYBMUJFWSA-N 268.360 3.770 30 20 CHED C=CCC1(O)CCN(C(=O)[C@](C)(CC)CCCCC)CC1 924434820 NTKZJURUBZUTDQ-QGZVFWFLSA-N 295.467 3.913 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H](C)Cc1cccs1 925141783 CSCZEDDJAMPMRE-OLZOCXBDSA-N 264.438 3.845 30 20 CHED C#Cc1cccc(NC(=O)Nc2cnn(C3CCCC3)c2)c1 925831007 CAFOYHPZWSXBOW-UHFFFAOYSA-N 294.358 3.624 30 20 CHED CC[C@@H](NCc1cscc1C)c1cccc(C#N)c1O 926302975 KUUBYADCBMKQRH-OAHLLOKOSA-N 286.400 3.875 30 20 CHED COc1cc(CCN[C@H](C)CC(C)(C)C#N)ccc1Cl 926490109 JQJYMOGOVILMLS-GFCCVEGCSA-N 294.826 3.809 30 20 CHED C=CC1CCN(C2CC(OCc3ccccc3)C2)CC1 929617841 LNFZQGKUAAGOPF-UHFFFAOYSA-N 271.404 3.632 30 20 CHED CCCN(C)C[C@H]1CCN(CCCCC2(C#N)CCC2)C1 929782509 ZNQPPIJZBWMKRE-QGZVFWFLSA-N 291.483 3.514 30 20 CHED CCO[C@@H]1C[C@H](NCCCCC2(C#N)CCC2)C12CCC2 930628244 MKAYAMAYWOKAHV-JKSUJKDBSA-N 290.451 3.788 30 20 CHED Cc1ccc(NN=Cc2cscn2)cc1Cl 1115878383 LJTGXAYWAPXVAN-UHFFFAOYSA-N 251.742 3.551 30 20 CHED N#Cc1cccc(C#N)c1N1Cc2ccccc2C(F)(F)C1 1116785517 XPQWBUYGUVDKGO-UHFFFAOYSA-N 295.292 3.542 30 20 CHED Cc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)c(C)c1 1117288873 GNVOZOWSDGOVML-UHFFFAOYSA-N 275.311 3.892 30 20 CHED Cc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1C#N 1124422012 YMNHBGPZKJVCEB-CQSZACIVSA-N 272.392 3.811 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1F)c1ccccn1 1131983540 JZVRBHVUIMXAEN-UHFFFAOYSA-N 297.333 3.539 30 20 CHED N#CC[C@H](OC(=O)C12CCC(CC1)CC2)c1ccco1 1263660761 OQNWRWVFBVRGKS-UGWHAMFMSA-N 273.332 3.748 30 20 CHED COc1ccc(C#N)cc1CN(c1ccccc1)C(C)C 1307536048 YIFTXFCSRARNTA-UHFFFAOYSA-N 280.371 3.982 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1C)[C@@H]1CC1(C)C 1310419054 OVVGEFANLGUFNJ-KBPBESRZSA-N 285.391 3.813 30 20 CHED O=C(CC#Cc1ccccc1)OCc1ccccc1Cl 1319311603 GHQWNQHEBYWABV-UHFFFAOYSA-N 284.742 3.825 30 20 CHED CS[C@@H]1CC[C@H](N(C)CC(C)(C)CCC#N)C1 1319719379 ZUXDRVHAQQMJGX-QWHCGFSZSA-N 254.443 3.532 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1occ(C)c1C 1323621607 XQEZCLLFGCPYMJ-UHFFFAOYSA-N 297.358 3.842 30 20 CHED N#Cc1cccc(N(C(=O)C2CC3(CC3)C2)C2CCC2)c1 1331454350 VRBUVESTLVFTJX-UHFFFAOYSA-N 280.371 3.634 30 20 CHED C=CC[C@H](CC)NC(=O)c1oc(C2CC2)nc1C(F)F 1337435671 BISMMBSAYMRFLA-VIFPVBQESA-N 284.306 3.574 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccn(C(C)C)c1C 1337557752 GIHBNQHSOZGWCA-HNNXBMFYSA-N 274.408 3.948 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCC1(CC#N)CC1 1339733770 XIMVCVVTYPVQFU-QWHCGFSZSA-N 270.376 3.532 30 20 CHED C=CCCCCCCNC(=O)c1ncc(Cl)s1 1341950520 CCHPCURRSISJNM-UHFFFAOYSA-N 272.801 3.663 30 20 CHED CC#CCCCC(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1344368132 LNWCWOIEPBCROX-NSHDSACASA-N 299.761 3.586 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C[C@@H](C)c1ccccc1C 1345645914 CBHBRLBIMHKJID-GDBMZVCRSA-N 295.386 3.582 30 20 CHED N#CC1(COC(=O)c2[nH]ccc2-c2ccccc2)CCC1 1348049510 GQPTXYOXNMLOIZ-UHFFFAOYSA-N 280.327 3.532 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)o1 1349996359 ANLSLLVGQAKNFD-IUODEOHRSA-N 297.358 3.529 30 20 CHED C=CCC1(C(=O)Nc2cc(-c3cccnc3)[nH]n2)CCCC1 1353335287 VFKSSPRNBPJKMX-UHFFFAOYSA-N 296.374 3.547 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1ccccc1C(C)C 1358494305 PPULYRBQVOHQPN-UHFFFAOYSA-N 294.354 3.943 30 20 CHED COc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1C 1435361502 FZCCUWDTPPQULA-CYBMUJFWSA-N 295.338 3.793 30 20 CHED Cc1nsc(N2CCC(C)(C)CC(C)(C)C2)c1C#N 1458474039 FITOLUIWDOXVGE-UHFFFAOYSA-N 277.437 3.976 30 20 CHED COC(=O)[C@@H](Sc1ccc(C#N)c(C)c1)C(C)(C)C 1459143788 VFSIVOISDLAYBN-CYBMUJFWSA-N 277.389 3.547 30 20 CHED C[C@H](CCc1ccc(O)cc1)Nc1cc(F)cc(C#N)c1 1462505569 UJRKJOMBMRQART-GFCCVEGCSA-N 284.334 3.836 30 20 CHED N#Cc1ccc2c(c1)N(c1ccncc1C(F)(F)F)CC2 1472749450 QXQNTDUDVOQUSK-UHFFFAOYSA-N 289.260 3.666 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1C[C@H]2CC[C@H]1C2 1474430463 DIMBJZHYWKJDQW-FPMFFAJLSA-N 256.349 3.557 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C(C)(F)F)cc1 1518546402 AWJXTQLAPHAANN-ZDUSSCGKSA-N 280.318 3.563 30 20 CHED Cc1csc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c1Cl 1524734006 NUWSNJQYOLEORH-DTWKUNHWSA-N 269.753 3.559 30 20 CHED C=CC(C)(C)COC(=O)c1ccc(NC(C)=O)c(Cl)c1 1525825105 LLFIZGLTVWVTSC-UHFFFAOYSA-N 295.766 3.667 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1526914285 MBEMBAMWKGBHAA-NSHDSACASA-N 290.432 3.975 30 20 CHED CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(CC)[C@@H](C#N)CC 1538757671 RZXYFZYPBLFROU-JJXSEGSLSA-N 294.439 3.511 30 20 CHED CCC[C@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccn1 1566199614 TXTGYYIHWNSCKV-HNNXBMFYSA-N 293.370 3.784 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)[C@H](C#N)CCc1ccccc1 1566319942 UUFMLTYCUCNDTF-IRXDYDNUSA-N 298.430 3.844 30 20 CHED Cc1c(C(=O)N(C)[C@H](C)C#N)oc2c1ccc1ccccc12 1583900326 NKNNKRGDHCRBFF-LLVKDONJSA-N 292.338 3.879 30 20 CHED C=CC[C@@H](C(=O)O)N1C[C@@H](c2ccccc2)c2ccccc21 1588729475 QUANKIANLFWLRB-WMZOPIPTSA-N 293.366 3.668 30 20 CHED CCc1ccc(CCNc2cccc(F)c2C#N)cc1 1612010781 MIDPRIYFEXPVKE-UHFFFAOYSA-N 268.335 3.914 30 20 CHED Cc1ccc(C(=O)Nc2nc(C)cc(C)c2C#N)c(Cl)c1 1617235155 ILCBRIOUDJRMRD-UHFFFAOYSA-N 299.761 3.784 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)c1c(F)cccc1F 1620598284 WHOQHSHULBHEOX-LBPRGKRZSA-N 286.325 3.730 30 20 CHED Cc1ccc2ccnc(NC(=O)c3ccc(C#N)s3)c2c1 1639446022 WWCRAPUAAHCISJ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED Cc1cc(C#N)nc(NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 1642172531 JVENMKJXCLFDQM-NOLJZWGESA-N 286.423 3.777 30 20 CHED N#Cc1ccc(CSc2ccc3[nH]ncc3c2)c(F)c1 1644005848 WTEIYUHWDKUKTL-UHFFFAOYSA-N 283.331 3.866 30 20 CHED CCN(Cc1cccc(Cl)c1)c1cc(C)c(C#N)cn1 1650641552 SEPIPYKJKMELPH-UHFFFAOYSA-N 285.778 3.942 30 20 CHED CC(C)c1ccc2c(c1)CN(CC1(CC#N)CC1)CC2 1654165921 WXVZFYWDLVHFRB-UHFFFAOYSA-N 268.404 3.862 30 20 CHED Cc1ccc(C(C)(C)CNCc2cccc(C#N)n2)c(C)c1 1659878585 ZYYNYTUSVKTCFF-UHFFFAOYSA-N 293.414 3.638 30 20 CHED C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 22728964 CUMCITJWYUVEII-PBSOMRJOSA-N 284.315 3.523 30 20 CHED Oc1ccccc1/C=N/C[C@H](c1ccccc1)N1CCCC1 22769573 QOAOEKSIJGAKOM-SQVRNEIYSA-N 294.398 3.648 30 20 CHED C[C@H](C#N)OC(=O)c1ccc(-c2ccc(F)cc2)s1 24091069 SKUQYWANDAOKOL-SECBINFHSA-N 275.304 3.623 30 20 CHED Cc1cc(C)c(NC(=O)COc2cccc(C#N)c2)c(C)c1 36803537 GQGAWRLYMFBLLI-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(C#N)c1 36937507 NFHWQXVGYDDJIY-CYBMUJFWSA-N 284.790 3.932 30 20 CHED Cc1ccc(Sc2nnc(C)c(C)c2C#N)cc1C 40217332 UVZCANHNRHZVPF-UHFFFAOYSA-N 269.373 3.733 30 20 CHED CCc1cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)sc1C 41574573 YUEYXMQCTJDZKA-ZDUSSCGKSA-N 299.399 3.516 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)nc2)c(Cl)c1 42702780 KYLHLNWMXWUADE-UHFFFAOYSA-N 279.126 3.839 30 20 CHED Cc1nnc(NCc2ccc(C(C)C)cc2)c(C#N)c1C 44381965 UJSFNDJTZVKLOG-UHFFFAOYSA-N 280.375 3.701 30 20 CHED CCN(C(=O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 45498976 WXYAFVNPXNFPJT-CQSZACIVSA-N 278.355 3.782 30 20 CHED CCC1(C)CCN(Cc2ccc(C#N)cc2F)CC1 60941622 MTDWYROFZGZYHS-UHFFFAOYSA-N 260.356 3.709 30 20 CHED N#Cc1ccc(CNc2ccc(C#N)cc2Cl)cc1 62790965 DYIBPUKYHUCTCT-UHFFFAOYSA-N 267.719 3.695 30 20 CHED N#Cc1ccc(OCc2coc(-c3ccccc3)n2)cc1F 66749218 JEPHNUYLGDSWBD-UHFFFAOYSA-N 294.285 3.931 30 20 CHED C[C@@H](CC#N)NCc1ccccc1OCc1ccccc1 68612158 KHZOGHFYRYBCEM-HNNXBMFYSA-N 280.371 3.657 30 20 CHED COc1cc(C#N)ccc1O[C@H](C)c1ccccc1 70192734 LCNLACBPPSFWRJ-GFCCVEGCSA-N 253.301 3.707 30 20 CHED C=C(C)COc1cccc(NC(=O)NCCC(C)C)c1 72093568 GWOFMUNBTMJOFW-UHFFFAOYSA-N 276.380 3.809 30 20 CHED C=CCN(CC=C)CC(=O)Nc1c(Cl)cccc1Cl 72590344 NOUUKGSGXAQRPX-UHFFFAOYSA-N 299.201 3.606 30 20 CHED N#CCN(Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 78003492 ABYZSDCZENIJIU-UHFFFAOYSA-N 298.308 3.853 30 20 CHED CC[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccncc1 78306193 QUOMSLPXAULMMI-GFCCVEGCSA-N 272.739 3.565 30 20 CHED C=CCCNc1c(F)cc(Br)cc1F 83848258 DWKMSZWRUZKZPK-UHFFFAOYSA-N 262.097 3.715 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)c1cccc(C#N)c1 91436902 IBXPMRQFINWOLS-NSHDSACASA-N 265.291 3.742 30 20 CHED CC1(C)Cc2cc(/C=C/C(=O)c3cccnc3)ccc2O1 103717056 NWSRWQVXRCWCTK-FNORWQNLSA-N 279.339 3.691 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CCC1CCCC1 104626225 BECUSRSNBCMKMF-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C=CC1CCN(C(=O)c2ccccc2OC(C)C)CC1 110369362 PFRRHUWTUSYLFD-UHFFFAOYSA-N 273.376 3.512 30 20 CHED C#CCCOc1ccc(CNCc2ccc(F)c(C)c2)cc1 113316697 WOJVJCMDYKXWTD-UHFFFAOYSA-N 297.373 3.826 30 20 CHED Cc1c(C(=O)O[C@H](C)CC#N)sc2cccc(F)c12 113686536 FLVSSDBDLZMINI-MRVPVSSYSA-N 277.320 3.808 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1\Cc2cc(F)ccc2C1=O 114992313 NXOWRBXIOOIVLN-YRNVUSSQSA-N 284.334 3.669 30 20 CHED C=CCC(CC=C)C(=O)N1CCOC2(CCCCCC2)C1 119815456 DCBNQAIQWQPDEH-UHFFFAOYSA-N 291.435 3.707 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1Cl 129568452 XRINFFLGPMCOHK-QWRGUYRKSA-N 279.746 3.573 30 20 CHED C[C@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H]1C 129761922 DZHBFPVBXJUNOO-UXLLHSPISA-N 299.418 3.719 30 20 CHED O=C(/C=C/c1cncs1)c1ccc(OC(F)(F)F)cc1 130006476 OONZDNZWVLEIHR-AATRIKPKSA-N 299.273 3.938 30 20 CHED COc1ccc(C#N)cc1CN1CCc2sccc2[C@H]1C 130445122 ZJUYIMDENZGXFI-GFCCVEGCSA-N 298.411 3.748 30 20 CHED COc1ccc(C#N)cc1CN(C)c1cccc(C)c1 130451501 BAQKTGNGZHWBBT-UHFFFAOYSA-N 266.344 3.512 30 20 CHED N#Cc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)s1 131438492 MEEPMVSBSKOMSD-OAHLLOKOSA-N 297.427 3.696 30 20 CHED Cc1cccc([C@H](O)CNc2cc(Cl)ccc2C#N)c1 132524081 JSKQEABOGIJYBB-MRXNPFEDSA-N 286.762 3.666 30 20 CHED Cc1ccc(NCc2cccc(C#N)c2)c(CN(C)C)c1 132630772 SBTSROJNPLEWPV-UHFFFAOYSA-N 279.387 3.540 30 20 CHED C=CCC[C@H](NC(=O)/C=C/C=C/C)c1ccccc1 133737256 RJXNAUUDYSBFCB-QENJOJHRSA-N 255.361 3.942 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)c(C)o1 134899448 YMYMGFUCLDNOAL-UHFFFAOYSA-N 296.370 3.821 30 20 CHED C=CCCOCC(=O)Nc1ccccc1Cc1ccccc1 138335242 VZVRBQMEJKLNLG-UHFFFAOYSA-N 295.382 3.809 30 20 CHED COc1ccccc1/C=C/C(=O)c1cccc(CN(C)C)c1 140498735 MXMZXWCUCVLEAP-VAWYXSNFSA-N 295.382 3.653 30 20 CHED CC(C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N 154272233 BSJRVQMXMPRDJV-UHFFFAOYSA-N 264.394 3.902 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1OCC 155004306 VMYCDEMCVUEVCE-NSHDSACASA-N 297.782 3.658 30 20 CHED CC(C)CC1(C(=O)N(C)Cc2ccc(C#N)cc2)CCC1 155629047 YKOCEQFXXGBAFD-UHFFFAOYSA-N 284.403 3.733 30 20 CHED C=CCCCNc1ccc(C(=O)NC(C)(C)C)cc1 157138391 RFVFNSWWRYQNJJ-UHFFFAOYSA-N 260.381 3.593 30 20 CHED COc1ccc(C[C@H](C)CNCc2cccc(C#N)c2)cc1 157897873 RUGZUJKJUGQHPC-HNNXBMFYSA-N 294.398 3.535 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 161118804 ZMWHGHKVSABUOL-STQMWFEESA-N 284.186 3.789 30 20 CHED Cc1c(NC(=O)C2(C#N)CCCC2)sc2c1CCCC2 173059062 WCNFASBJNXLGCS-UHFFFAOYSA-N 288.416 3.958 30 20 CHED CCCCOc1ccc(CCNCc2ccc(C#N)o2)cc1 174276387 FXMWFVCIRHUTGB-UHFFFAOYSA-N 298.386 3.662 30 20 CHED N#CCC1(COC(=O)c2csc(-c3ccccc3)n2)CC1 174733147 IEYISWYTHUHWBI-UHFFFAOYSA-N 298.367 3.661 30 20 CHED C[C@H](OC(=O)c1cccc(F)c1)c1ccc(C#N)cc1 175782031 PRXXLNZNQIWZEW-NSHDSACASA-N 269.275 3.615 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@H]1CC[C@@H](C)C1 177666225 XPXPVBMVQZMWIE-OLZOCXBDSA-N 286.375 3.722 30 20 CHED C=CCCCC(=O)Oc1ccc(NC(=O)OCC)cc1 177833596 LQBFSJWWEFSBAI-UHFFFAOYSA-N 277.320 3.517 30 20 CHED C=CCCCC(=O)N(CC)[C@H](CC)c1ccncc1 177881179 VALHUKZBUUHISH-OAHLLOKOSA-N 260.381 3.738 30 20 CHED C=C(C)CN1CCC(NCc2ccc(Cl)c(C)c2)CC1 180904341 JMINWMWZEHMVTD-UHFFFAOYSA-N 292.854 3.779 30 20 CHED CC[C@H](NCc1ccccc1C(C)(C)C#N)[C@H]1CCCO1 182382269 FKSKBTKXYYVQCN-DLBZAZTESA-N 286.419 3.535 30 20 CHED COCCC1(CNCc2ccc(C#N)cc2)CCCCC1 185228729 CBCZNBNAHMOMEE-UHFFFAOYSA-N 286.419 3.635 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@@H](CC)c1cccs1 185242780 MAZAPTUPAPNXPS-RYUDHWBXSA-N 251.395 3.918 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 185621041 QGGSRFXLVLXLIF-AWEZNQCLSA-N 291.822 3.923 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](CC)c1ccc(F)cc1F 185628156 LHMXJMVQVOHEPE-AWEZNQCLSA-N 279.330 3.582 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1nc2ccccc2o1 186120336 LSYWYRAXPMHFKY-LBPRGKRZSA-N 271.316 3.626 30 20 CHED C[C@H](C#N)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 186544197 UQOYHOWLIJVEHB-DGCLKSJQSA-N 294.782 3.612 30 20 CHED C=CCCC(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 187043588 RHTUHDPMEPLIFF-IUODEOHRSA-N 293.794 3.595 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1cc2ccccc2o1 188071097 QUXJMDIPKCFDGK-KRWDZBQOSA-N 288.343 3.705 30 20 CHED N#Cc1csc(CNCc2ccc(Cl)cc2F)c1 189193609 TUDSQOPNMDRVNE-UHFFFAOYSA-N 280.755 3.702 30 20 CHED C=CCC1(C(=O)N2CCc3c([nH]c4ccccc34)C2)CCC1 189826869 ZBGBVZMYOFFZJE-UHFFFAOYSA-N 294.398 3.799 30 20 CHED CC(C)(CCC#N)CNCCc1ccccc1OC(F)F 190885590 SBLGNGHXKNXNPB-UHFFFAOYSA-N 296.361 3.750 30 20 CHED C=CCCC[C@@H](C)NCc1nccn1-c1ccccc1 191561948 GNRYOQPGYGJVQH-OAHLLOKOSA-N 269.392 3.707 30 20 CHED C[C@H](C#N)Nc1cc(Cl)ccc1OCC1CCC1 191701086 LSPWTDIWDVQBHD-SNVBAGLBSA-N 264.756 3.843 30 20 CHED CC1CCC(CNC(=O)Nc2ccc(CC#N)cc2)CC1 193613751 KXEWJWGVRYGJNL-UHFFFAOYSA-N 285.391 3.700 30 20 CHED C=CCC[C@H](NC(=O)C[C@H]1CCCOC1)c1ccccc1 193617857 MOLKKUIZRFHLLB-WBVHZDCISA-N 287.403 3.627 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(C#N)cc1 194730751 IHRVJKPQCBSBEM-SJORKVTESA-N 298.430 3.822 30 20 CHED COc1ccc([C@H]2CCN(Cc3cccc(C#N)c3)C2)cc1 195134509 HBHDSIMRLLQSOY-SFHVURJKSA-N 292.382 3.556 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C1CCCCC1 196739622 SBXHXXIUNGJQMO-UHFFFAOYSA-N 267.716 3.980 30 20 CHED Cc1ccc(/C=C2/Cc3ccccc3C2=O)cc1[N+](=O)[O-] 211751381 PLALMTSFUUJZCM-ZSOIEALJSA-N 279.295 3.726 30 20 CHED CC(C)[C@H]1CCCC[C@H]1NCc1ccc(OCC#N)cc1 215039078 FFAWDIXRRCNLPF-QZTJIDSGSA-N 286.419 3.893 30 20 CHED C[C@@H](CNc1ccc(C#N)c(Br)c1)C1CC1 228195393 FTOYLXABKRLRGG-VIFPVBQESA-N 279.181 3.779 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(Cl)ccc1Cl 234027580 OBTGIEBZGGUQMZ-SECBINFHSA-N 271.147 3.527 30 20 CHED Cc1ccc(F)cc1Oc1nccc(C#N)c1Cl 235758487 ALUCDRVCGQMVIV-UHFFFAOYSA-N 262.671 3.847 30 20 CHED N#Cc1cc(CSc2ccc(C(=O)O)cc2)ccc1F 236468619 GVSMZAYGKANUDO-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C#CCOc1ccc(CNCc2ccc(CC)cc2)cc1 236922899 CLXSTHARJJKKOM-UHFFFAOYSA-N 279.383 3.551 30 20 CHED C=C(C)[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccc(F)c(F)c1 248588736 YRMXJAVWXVCBMV-GHJWDPDVSA-N 281.346 3.597 30 20 CHED CC[C@H](c1ccccc1)N(CC)C(=O)NCCCCC#N 264106618 IQVOROOPAIWTJP-MRXNPFEDSA-N 287.407 3.863 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 269747364 YYAIZFHQFKVYKT-ZBFHGGJFSA-N 287.407 3.717 30 20 CHED C[C@H](CCc1ccco1)N[C@H](C)c1ccc(OCC#N)cc1 271523815 VJXQJXVPFSKKLR-HUUCEWRRSA-N 298.386 3.854 30 20 CHED N#CCCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 273078619 XCGZHTYDLGVHBE-RYUDHWBXSA-N 297.185 3.517 30 20 CHED CC(C)(C#N)CCSCc1cc(F)cc2c1OCOC2 276619548 NODGVLKEJBDCNR-UHFFFAOYSA-N 295.379 3.865 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(CCCCC#N)C2)cc1 278688691 PMHPHRWWIQXWDJ-RDJZCZTQSA-N 256.393 3.867 30 20 CHED CCC[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1F 279061183 SHYHDIHHSYUFEZ-CQSZACIVSA-N 294.345 3.862 30 20 CHED CC#CCCCC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 279915786 DLXXZUFHEQKXJL-KOMQPUFPSA-N 289.806 3.896 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)c(C)cc1Cl 280069118 XIUFWHBAFNQRSW-ZDUSSCGKSA-N 278.783 3.625 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 280481186 ALEGZAHUAXIQIT-INIZCTEOSA-N 298.317 3.576 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(N2CCCCCC2)c1 285560615 HCNHOQBEMHNNDA-GOSISDBHSA-N 299.418 3.945 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(C#N)ccc1Cl 285580990 KXCRCGWGMNYIGV-PHIMTYICSA-N 276.767 3.615 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2cccc(Cl)c2n1 285746267 HKIAPNTVCKXHRN-HNNXBMFYSA-N 287.750 3.767 30 20 CHED C=CCCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)nc1 285749976 HRYMBBLAFAWWKA-VIFPVBQESA-N 273.254 3.671 30 20 CHED C=CCC[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccco1 286152256 OXOWSPQCWNBROD-HUUCEWRRSA-N 291.391 3.562 30 20 CHED CC(C)COc1ccccc1-c1noc(CC(C)(C)C#N)n1 288864272 FIHWCBXZMRLYJZ-UHFFFAOYSA-N 299.374 3.864 30 20 CHED Cc1[nH]c2ccccc2c1Cc1noc(CC(C)(C)C#N)n1 288984315 RWGDXGIMFPIZKN-UHFFFAOYSA-N 294.358 3.542 30 20 CHED Cc1cc(Cl)cc2c1N(C(=O)CCCC#N)CCC2 291424759 GQPYXVXKKDRXDI-UHFFFAOYSA-N 276.767 3.622 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2nccn2C)c1 293154563 BLTVYHMJRDTEQY-UHFFFAOYSA-N 283.375 3.628 30 20 CHED N#Cc1nc(N2CCC[C@H]2Cc2ccccc2)ccc1Cl 301498222 CDJBWDGVSNSJCV-AWEZNQCLSA-N 297.789 3.818 30 20 CHED Cc1cc(Nc2ccc(Cl)c(C#N)n2)ccc1N(C)C 301535758 QSGMTEMEMARLOH-UHFFFAOYSA-N 286.766 3.725 30 20 CHED CC[C@@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 301835194 WIJYKQGCCYSCMU-CYBMUJFWSA-N 265.360 3.733 30 20 CHED CCc1ccc(N/C(N)=N/CCc2ccc(C)cc2)cc1 304760627 SRBYGVSMCDYIHA-UHFFFAOYSA-N 281.403 3.527 30 20 CHED C=CCNc1nnc(SC2CCCCC2)s1 309351333 MWVANZRSIXCKSX-UHFFFAOYSA-N 255.412 3.561 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(F)cc1O 310855080 MTZIGBVJWNIBIT-NSHDSACASA-N 251.345 3.784 30 20 CHED Cc1cc(OCc2noc(C(C)C)n2)c(C)c(C)c1C#N 314312832 DFPZHOVYKMUISA-UHFFFAOYSA-N 285.347 3.569 30 20 CHED Cc1nc(CC/N=C(/O)[C@@H]2CCCC(F)(F)C2)c(C)o1 328658657 RLPIHBOKCDLWOQ-LLVKDONJSA-N 286.322 3.616 30 20 CHED O/C(=N/[C@@H]1CSc2ccccc21)[C@H]1CCCc2n[nH]cc21 329816424 VXLJBSUJVRZEPJ-IINYFYTJSA-N 299.399 3.633 30 20 CHED CC(C)c1ccoc1/C(O)=N/[C@H](CO)CC(C)(C)C 330478277 KJIHNWQCKMXDHQ-NSHDSACASA-N 267.369 3.505 30 20 CHED Cc1oc2ccc(NC(=O)N[C@@H]3CC[C@H](C#N)C3)cc2c1C 333380787 KLERJPXWGLNPGR-QWHCGFSZSA-N 297.358 3.863 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@@]2(C)c2ccccc2)C1 333590495 SQWGOHINXQEICY-TWKWOARYSA-N 296.414 3.553 30 20 CHED C[C@@H]1C[C@H](NC(=O)C2(C#N)CCC2)C[C@H](c2ccccc2)C1 333989185 IUTBFXICKHGSOC-UAGQMJEPSA-N 296.414 3.769 30 20 CHED CC1(C#N)CCC(Nc2cccc(N3CCCC3=O)c2)CC1 336212055 XUBJXLYIMSCNEP-UHFFFAOYSA-N 297.402 3.698 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccnc(SC)c1 340606676 CXYUAWIZTFKRAV-UHFFFAOYSA-N 298.411 3.632 30 20 CHED CSc1cccc(NC(=O)Cc2ccc(C#N)cc2)c1C 341274200 CWQWWWZWWKFCRD-UHFFFAOYSA-N 296.395 3.770 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(SCC)nc1 343254225 BNNPMLHPGMERQI-LBPRGKRZSA-N 278.421 3.668 30 20 CHED N#Cc1ccc(NCC2(C(F)(F)F)CCC2)c(F)c1 343928085 DIZPZCPVAIKVAH-UHFFFAOYSA-N 272.245 3.842 30 20 CHED C[C@H](C#N)NC(=O)c1csc(-c2ccc(Cl)cc2)c1 344053966 HEKGDRKZTLAIKD-SECBINFHSA-N 290.775 3.710 30 20 CHED C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1cccs1 347298553 IHBFPPRVOPQIDG-LBPRGKRZSA-N 296.395 3.529 30 20 CHED CC(C)n1nccc1CNc1ccc(Cl)c(C#N)c1 347853599 RJWDATVMRASPDA-UHFFFAOYSA-N 274.755 3.601 30 20 CHED C=CCN(C(=O)c1c2c(nc3ccccc13)CCC2)C1CC1 347909241 SACQMXQZUQFGPW-UHFFFAOYSA-N 292.382 3.514 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(NC(C)=O)cc1OC 349357537 UBRDMELVIWSFPW-ZDUSSCGKSA-N 290.407 3.661 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2cccc3[nH]ccc23)c1 351834143 KJQUXDGIDGZPCA-UHFFFAOYSA-N 295.729 3.945 30 20 CHED Cc1c(N[C@@H]2CCc3ccc(C#N)cc32)cnn1CC(C)C 353682085 XDQQZZAPCOZDMF-QGZVFWFLSA-N 294.402 3.819 30 20 CHED N#Cc1csc(CN2CCC[C@@H]3CCCC[C@@H]32)c1 353843618 IZCXBLOEOSLDGV-ZFWWWQNUSA-N 260.406 3.774 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)C[C@H](CC#N)c1ccccc1 354388091 KFTUNKCUFZZRGA-HOCLYGCPSA-N 296.370 3.887 30 20 CHED Cc1ccc(C#N)cc1NCc1cnc([C@H]2CCCO2)s1 354856840 VSBNMDUPUORSMV-OAHLLOKOSA-N 299.399 3.787 30 20 CHED C=CCN(CC=C)[C@H](C)c1nnc(-c2cccs2)o1 355451189 UPVBGRWTSYLEHT-LLVKDONJSA-N 275.377 3.533 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N(CC2CC2)C2CCC2)c1 355498866 JPKVPJFNVDEULX-UHFFFAOYSA-N 288.778 3.616 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCCC(F)(F)F 355940111 FNBOFBIJDWWJIA-UHFFFAOYSA-N 270.254 3.538 30 20 CHED Cc1cc(CNc2cccnc2C#N)ccc1Cl 357438947 IXDSFPPKVOFZOC-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=C(CC)CN(C)[C@@H]1CCCc2nc(C)sc21 358620873 PTTMCHYOUDVEOB-CYBMUJFWSA-N 250.411 3.727 30 20 CHED CC[C@@H](C(=O)NCCCCC#N)C1CCC(C)CC1 359296702 IRNBDPHCZBODGT-YMAMQOFZSA-N 264.413 3.649 30 20 CHED C=CCCC1(C(=O)Nc2cc(OC)c(OC)cc2F)CC1 359728651 YUMUOFLEZMMBQR-UHFFFAOYSA-N 293.338 3.528 30 20 CHED CC(C)N(Cc1ccc(Cl)cc1C#N)C1CCC1 360037089 ISKZMYHFVWCFPR-UHFFFAOYSA-N 262.784 3.975 30 20 CHED CC(C)CCN(CCC(C)C)C(=O)CCCC#N 360277751 QKZHSXXZMXMORK-UHFFFAOYSA-N 252.402 3.601 30 20 CHED CN(Cc1ccoc1)c1c(C#N)cnc2ccc(Cl)cc12 360974787 PZQAVLMIDKLXKO-UHFFFAOYSA-N 297.745 3.989 30 20 CHED N#CCCN(Cc1ccco1)C[C@@H]1CCOc2ccccc21 362120679 XFEYIMKJCCXNRZ-HNNXBMFYSA-N 296.370 3.562 30 20 CHED CC#CCCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 364047726 SXDXRVGTIIRPGA-ZDUSSCGKSA-N 286.350 3.560 30 20 CHED Cc1n[nH]c(C)c1[C@H]1CCCN1CCCCC(C)(C)C#N 373071464 SKPYVWFRMXHVDM-OAHLLOKOSA-N 288.439 3.884 30 20 CHED C[C@@H](O)CN(CCCCC(C)(C)C#N)C1CCCCC1 409446504 SNJNKVQWGUMMCJ-OAHLLOKOSA-N 280.456 3.722 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 410275023 WNNYZCAATLNVJO-OAHLLOKOSA-N 278.371 3.740 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCc1cc2ccccc2o1 410828099 MRUSLIZZQTWGPU-AWEZNQCLSA-N 284.359 3.516 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(SC2CC2)cc1 410839360 ZJELZUPTPBFENQ-ZDUSSCGKSA-N 288.416 3.705 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCC[C@@H]1c1ccccc1 410877328 POHQJKUAFDETTD-PMPSAXMXSA-N 284.403 3.625 30 20 CHED CCCC1(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 411015717 NEPMBOOTEHEKRV-UHFFFAOYSA-N 276.767 3.925 30 20 CHED Cc1c(NCCCC2(C#N)CCOCC2)ccc(F)c1F 417066333 CIARXLGFPKSLKC-UHFFFAOYSA-N 294.345 3.786 30 20 CHED COc1c(Cl)cc(Cl)cc1CN[C@@H]1CC[C@H](C#N)C1 424187835 BNBOZWJDTCFHMQ-JOYOIKCWSA-N 299.201 3.784 30 20 CHED N#C[C@H]1CC[C@@H](NCC2CCC(C(F)(F)F)CC2)C1 424193145 JUFWHEQLLXNRBK-PYNQCMFNSA-N 274.330 3.637 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCc1cccs1 425134847 VGFBZTJNCSHQSY-CYBMUJFWSA-N 298.411 3.772 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(=C)C 427954060 GVLDBJZQSBJFEH-UHFFFAOYSA-N 299.292 3.576 30 20 CHED C=C(C)CNC(=O)c1cnn(CC(C)C)c1-c1ccccc1 430094190 KPSZBDFGBAVMJX-UHFFFAOYSA-N 297.402 3.512 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)NCC1(CC#N)CC1 430844246 JRHINUAUQXEMTO-ZIAGYGMSSA-N 291.439 3.584 30 20 CHED Cc1cc(NC[C@H](c2ccccc2)C2CC2)cc(C#N)n1 431474848 DGYZUGMRGRYKRK-GOSISDBHSA-N 277.371 3.867 30 20 CHED CSc1cccc(NC(=O)NCC2(CC#N)CC2)c1C 432373102 NWOOSELCVOVMMC-UHFFFAOYSA-N 289.404 3.532 30 20 CHED Cc1cc(OCC(=O)c2ccc(Cl)cc2)ccc1C#N 434650728 QHCCBWPYPUYFFU-UHFFFAOYSA-N 285.730 3.782 30 20 CHED CCC1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 435014694 BNHLBUBDKSLFIF-UHFFFAOYSA-N 296.414 3.675 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl 435585055 PKFSOIMSBGPUNC-IINYFYTJSA-N 296.754 3.641 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC 438215602 ZFEPSUXWDUJTBD-RYUDHWBXSA-N 289.379 3.513 30 20 CHED CC1(C)CCCN(Cc2c(F)cccc2Cl)[C@H]1C#N 444713578 BINGYZUEOTVSTL-AWEZNQCLSA-N 280.774 3.993 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCC#Cc1ccc(F)cc1 445902899 HKEDRVUCHRWHHD-AWEZNQCLSA-N 287.300 3.744 30 20 CHED C=CCN(C)C(=O)Nc1cccnc1-c1ccc(C)s1 446584782 XUDIIRPYRMWTSU-UHFFFAOYSA-N 287.388 3.768 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 448667462 XPLKWMFGGBJUBR-GJZGRUSLSA-N 287.407 3.530 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@]1(C)CC=CCC1 448824001 QGTJBVQWPCUJNH-INIZCTEOSA-N 254.333 3.552 30 20 CHED C=C(CC)CN[C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 449733685 JHJAXCOXVDDZLJ-UONOGXRCSA-N 277.408 3.752 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)NC1CCC(C)(c2ccccc2)CC1 450155450 HQQPDODHDKJBFH-XOQVMUHJSA-N 296.414 3.553 30 20 CHED N#CC1(CN2CCC[C@@H]2Cc2cccc(F)c2)CCC1 450272891 ZPUJPYMZQVFPSX-MRXNPFEDSA-N 272.367 3.526 30 20 CHED CC(C)[C@@H](C)Sc1cccc(C#N)c1[N+](=O)[O-] 450358613 BOGUHZUWJDSOMH-SECBINFHSA-N 250.323 3.603 30 20 CHED N#Cc1ccnc(NC2CCC(c3ccc(F)cc3)CC2)n1 450432268 FZYFQAXOKXMCNN-UHFFFAOYSA-N 296.349 3.626 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nc3cc(F)c(F)cc3[nH]2)C1 450783876 FSBLWCVCYMEJPZ-SFYZADRCSA-N 279.315 3.625 30 20 CHED N#CC1(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 451348698 AAGLGPHDBRHZIH-CQSZACIVSA-N 278.758 3.824 30 20 CHED C[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)C(F)(F)F 452650346 YNMKIMQJIOJRRA-SSDOTTSWSA-N 290.672 3.543 30 20 CHED C=CC(C)(C)CNC(=O)c1nc2ccccc2cc1Cl 452784521 PKGFCZDWEICJML-UHFFFAOYSA-N 288.778 3.830 30 20 CHED N#Cc1cccc(CCN[C@H](C2CCCC2)C2CC2)c1 453203756 AVAGZDWRONOFEZ-GOSISDBHSA-N 268.404 3.659 30 20 CHED C=CCCc1noc(-c2ccc(OC)cc2OCCC)n1 453234510 LERHVEUKIGBPOH-UHFFFAOYSA-N 288.347 3.653 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H]2CCCF)cc1F 453377557 IQHXOQIGPJWMRE-BBRMVZONSA-N 278.346 3.705 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccc(F)cc1)CC1CC1 455312818 PRZIJMDLPAVFEJ-UHFFFAOYSA-N 290.382 3.714 30 20 CHED C/C=C\c1ccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 455435559 AXSKSTLBCZRVOR-PCYIJXPVSA-N 283.375 3.924 30 20 CHED CC(C)C1(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 455886152 IOYHYYYHPBNUTM-UHFFFAOYSA-N 298.430 3.679 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)C1CC(C)(C)C1 458629997 ZCXKIUYRHRELTR-LBPRGKRZSA-N 252.402 3.561 30 20 CHED C=C(C)Cn1c(N2CC[C@@H]3CCC[C@H]32)nnc1C(C)(C)C 460560213 UFGPGIKMKQQIAP-UONOGXRCSA-N 288.439 3.531 30 20 CHED CC#CCCN(C)Cc1ccc2cc(OC)ccc2c1 462312625 JVOHLUIGWLYKPW-UHFFFAOYSA-N 267.372 3.694 30 20 CHED CC(C)COc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cn1 463246052 PDDFBASIWWWYNC-UONOGXRCSA-N 273.380 3.611 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H](CC(C)C)C1 466378499 NWMWZYDKIGCIJR-HUUCEWRRSA-N 266.429 3.809 30 20 CHED C=CCCCCNC(=O)N1Cc2ccccc2C(C)(C)C1 472846738 HJYDBSAVUGNFAW-UHFFFAOYSA-N 286.419 3.846 30 20 CHED C=C(C)COCCN[C@H](C)C1CCC(C(F)(F)F)CC1 474801074 PTSILSCYOALMRV-IYXRBSQSSA-N 293.373 3.926 30 20 CHED C=CCCC[C@H](C)NC1CCC(C)(C(=O)OCC)CC1 474880797 GLYPQJNDIVRTAT-UQPPLGOBSA-N 281.440 3.833 30 20 CHED C=CCCC1(C(=O)N2C[C@@H](C)c3ccccc32)CC1 474896775 FOYOZMKJBJOUAE-CYBMUJFWSA-N 255.361 3.883 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc(C#N)cc1 480530347 SRSMPRAVIAAPAN-JKSUJKDBSA-N 258.365 3.564 30 20 CHED C=CCN(CC=C)C(=O)CSC[C@H](C)c1ccccc1 481924879 RWKBYRNLEZBPGV-HNNXBMFYSA-N 289.444 3.724 30 20 CHED CSc1ccccc1[C@H](C)N=c1ccc(C#N)c(C)[nH]1 487729508 JDARCFFSALFYMS-LBPRGKRZSA-N 283.400 3.579 30 20 CHED COc1cccc([C@H](C)NCc2ccc(C#N)c(C)c2)c1 488147677 JVKQWTABRFRYLS-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C=CCCCCCN[C@@H](CCO)C1CCCCC1 488150418 MWOOCWQSCCESHM-INIZCTEOSA-N 253.430 3.654 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CS[C@H](C(C)C)C1 488424710 DLFQFOTXADLYLM-RDJZCZTQSA-N 291.460 3.871 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1ccccc1C 490786766 YQUIBJKTHLRACX-UHFFFAOYSA-N 284.359 3.851 30 20 CHED C#C[C@@H](C)N(C)C(=S)Nc1cc(Cl)cc(Cl)c1 491813539 AWQBYLIMVOUWQG-MRVPVSSYSA-N 287.215 3.644 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCCCCC#N 494619137 UIIOEZJHDQMILD-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1cc(C)oc1C 495173256 JSJDLUZQQVDZIZ-TZMCWYRMSA-N 276.380 3.708 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)cc(OC)c1 497939711 VHIZDMVAEDWCKB-NSHDSACASA-N 281.783 3.823 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC1CCCCC1)C1CC1 498732600 CVGCAXKQWIZZGI-CQSZACIVSA-N 279.424 3.539 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N1CCC(C#N)CC1 500020245 QOBAYYNJDRXORT-INIZCTEOSA-N 276.424 3.745 30 20 CHED C[C@H](C#N)CN(C)C[C@@H](C)c1ccc(C(F)(F)F)cc1 501166411 XUJIGFZRLJNKBK-VXGBXAGGSA-N 284.325 3.900 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)cc1 502202462 KALAUOGFHBLYKV-LSDHHAIUSA-N 287.403 3.760 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)NCC#Cc1ccccc1 503309981 KCEUSVLQAZBUCU-KRWDZBQOSA-N 283.415 3.761 30 20 CHED CC(C)[C@H](C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505912689 NKSIBVICQJKLQD-GWCFXTLKSA-N 298.308 3.678 30 20 CHED C=CCCCN1CCN(CCCC=C)[C@H]([C@H](C)CC)C1 510414220 RRWDXBIZDMTNEE-MSOLQXFVSA-N 278.484 3.951 30 20 CHED CC[C@H](C)CN(C)c1ccc(F)cc1CN(CC)CC#N 511525882 WYGVAPQMSJNNHC-AWEZNQCLSA-N 291.414 3.653 30 20 CHED C=CCCC1(c2nc(Cc3ccc(OC)cc3)no2)CC1 518831214 IDBULJWOTMXEPM-UHFFFAOYSA-N 284.359 3.667 30 20 CHED C=C1CCN(C(=O)[C@H](CC)Sc2ccccc2)CC1 520352811 FZIUBCXUNPJFMS-HNNXBMFYSA-N 275.417 3.736 30 20 CHED C=CC[C@@H](C)NC(=O)N(CCc1ccccc1)CC(C)C 522631526 BYDAYBSEDKEPQC-MRXNPFEDSA-N 288.435 3.861 30 20 CHED CC(C)(C)CCNCCSCc1ccccc1C#N 527366482 GNQAHNICVBNOCF-UHFFFAOYSA-N 276.449 3.817 30 20 CHED CCC(C#N)(CC)C(=O)N1CC=C(c2cccc(C)c2)CC1 528954533 YWUJBFSBDWVDDU-UHFFFAOYSA-N 296.414 3.941 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCCc2ccc(F)cc21 529223566 JRNMTVPEDUMPOK-HNNXBMFYSA-N 288.366 3.649 30 20 CHED N#Cc1ccc(CN2CCSC3(CCCCC3)C2)cc1 530952843 CHIRVMFSXDHOAJ-UHFFFAOYSA-N 286.444 3.810 30 20 CHED CC(C)(C#N)CCCOc1ccccc1-n1ccnc1 532159931 AOUHLRWYPCTEEI-UHFFFAOYSA-N 269.348 3.581 30 20 CHED CC[C@H](CSc1ccccc1)Nc1cccc(C#N)n1 533096458 NKFFDAGLTHTNFT-CYBMUJFWSA-N 283.400 3.936 30 20 CHED Cc1cc(C)cc(CCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 533230303 STRLLKKWLVMKPB-IFXJQAMLSA-N 298.430 3.825 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)CCCC(C)C)OCC 535151402 KPZRBZFFZASUSR-LSDHHAIUSA-N 269.429 3.689 30 20 CHED CC1=CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 535889945 XEXAOELTXKHRPT-UHFFFAOYSA-N 266.266 3.733 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc[nH]1 537271153 NNBXXMRIZAPYRK-ZFWWWQNUSA-N 275.396 3.606 30 20 CHED N#CC1(CN[C@@H](COc2ccccc2)c2ccccc2)CC1 538391270 RQYVJHLXGUZCJU-SFHVURJKSA-N 292.382 3.700 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1ccc(Cl)cc1 538502115 WWGGYIFZXCVXKC-AWEZNQCLSA-N 280.799 3.536 30 20 CHED CC(C)c1cnc(N(C)Cc2ccc(C#N)cc2)s1 543448459 GWKAERHUWQROKK-UHFFFAOYSA-N 271.389 3.775 30 20 CHED C=CCC[C@@H](C)NCCc1cc(Cl)c2c(c1)OCCO2 544566300 VBPYZYUZGRVHPD-GFCCVEGCSA-N 295.810 3.598 30 20 CHED C=CCOCCN[C@H](CC)C(C)(C)c1ccccc1 549541362 PNTPJDBXDIBUBX-MRXNPFEDSA-N 261.409 3.535 30 20 CHED CN(CCCCC#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 554304886 AUHMQSPHKGJVCY-SJORKVTESA-N 286.419 3.858 30 20 CHED Cc1c(C(=O)N2CCC2(C)C)sc2ccc(C#N)cc12 556283551 VFVGRIGFJHZMRS-UHFFFAOYSA-N 284.384 3.706 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3ccccc3)C2)C1 559254744 QJRWTTKIYCKADS-HYVNUMGLSA-N 254.377 3.558 30 20 CHED C=C(C)[C@@H](NCCc1ccncc1)c1ccc(F)c(F)c1 562037970 GKXZRKVOWHASDQ-QGZVFWFLSA-N 288.341 3.809 30 20 CHED C=CCCCN1CCC(Cc2ccccc2C(=O)O)CC1 565902147 MSTVWHIASGKNKR-UHFFFAOYSA-N 287.403 3.606 30 20 CHED C=C(C)CCNc1ccccc1CN1C[C@H](C)O[C@H](C)C1 567960648 UKFXADFRYCWKLW-IYBDPMFKSA-N 288.435 3.674 30 20 CHED CC(C)(C)[C@@H](Nc1ccnc(C#N)n1)c1ccc(F)cc1 570059719 BXJSFUWMZVXIMN-HNNXBMFYSA-N 284.338 3.687 30 20 CHED N#Cc1cccc(F)c1Cc1nc([C@@H]2C[C@H]3CC[C@H]2C3)no1 576263839 WASLNQBVHIQWSO-COPLHBTASA-N 297.333 3.575 30 20 CHED C=CCCCS[C@@H](CC)C(=O)NCc1ccccc1 576425627 DBYSIWLXMJBTNY-HNNXBMFYSA-N 277.433 3.781 30 20 CHED C=CC[C@@H](CO)CN[C@H](CCC(C)C)C(C)(C)C 578814728 NLQBLKPNCDHUNT-HUUCEWRRSA-N 255.446 3.612 30 20 CHED C=C(C)C[C@@H](C)c1nc(-c2nccnc2SCC)no1 580262920 VGDDQDHILPLQLT-SNVBAGLBSA-N 290.392 3.708 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 584707176 DOAPKQXMSCDEPE-NKGKWGDASA-N 296.414 3.747 30 20 CHED C[C@@H]1CN(C(=O)CCCCCC#N)[C@@H]1c1ccccc1 588623934 CRCXHPNJXKAEEV-PBHICJAKSA-N 270.376 3.680 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCCCC#N 588746589 XSLBILTUXQQNDT-ZDUSSCGKSA-N 276.355 3.819 30 20 CHED Cc1ccncc1[C@H](C)NC1CCC(C)(C#N)CC1 590647567 VAJIGCXAQQHUGI-HLIUYOAVSA-N 257.381 3.513 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N[C@H](C)c1cccc(C#N)c1 590673081 ODQAYWQYYIYRII-PWSUYJOCSA-N 298.308 3.714 30 20 CHED C=CCOCC(=O)Nc1ccc(CCCCC)cc1 591106388 MNIUKUJANWQPDN-UHFFFAOYSA-N 261.365 3.560 30 20 CHED CCC(C)(CC)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 591863375 OBGZFJKSJPIHCF-ZDUSSCGKSA-N 272.392 3.904 30 20 CHED C=CCCC(=O)N1CCCC[C@@H]1c1ccccc1OC 591978815 JIFGBBJOLAJDCJ-OAHLLOKOSA-N 273.376 3.715 30 20 CHED C[C@H]1CC2(CCOCC2)CN1[C@@H](C)c1cccc(C#N)c1 592184679 RZBRQXCKUDEPDR-GJZGRUSLSA-N 284.403 3.510 30 20 CHED CC(C)[C@H](O)Cc1ccccc1-c1ccc(F)c(C#N)c1 593950883 BNXQOYDBBCCLLZ-GOSISDBHSA-N 283.346 3.924 30 20 CHED C=C1CCN(C(=O)c2cc(CCC)c(C)s2)CC1 594848127 SUHSXFNCTIHNCM-UHFFFAOYSA-N 263.406 3.801 30 20 CHED Cc1cc([C@H](C)NCCc2ccc(C#N)cc2)ccc1F 595055776 JKAMTIRBCBWIHE-AWEZNQCLSA-N 282.362 3.899 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@@H](c2ccc(F)cc2)C1 595340485 WTYMHBGGAOXQOF-AEFFLSMTSA-N 280.346 3.880 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@@H](COc2ccccc2)C1 595433361 YYEDXNBOTWZXMC-VQIMIIECSA-N 292.382 3.652 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](CC#N)C1 595621517 VXBPTPSJLIHBTM-KBPBESRZSA-N 287.363 3.590 30 20 CHED CC(C)O[C@@H](CN(C1CC1)[C@@H](C)C#N)c1ccccc1 595710958 XWEJQBWZECMVKU-YOEHRIQHSA-N 272.392 3.529 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)CC1(C#N)CCCCC1 596790913 UEDDYPVBNMIIJK-LSDHHAIUSA-N 276.424 3.936 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C1[C@H]2CCCCCC[C@H]12 597041951 RQEYUCDAJWMUEL-GRDNDAEWSA-N 276.424 3.647 30 20 CHED CCCc1ccc(CN(CCC#N)CC2CC2)s1 598671192 UPLVXCPHSBDWNF-UHFFFAOYSA-N 262.422 3.826 30 20 CHED C=CC1CCN(Cc2sccc2Br)CC1 600679939 JZYPAEVGYDUBKQ-UHFFFAOYSA-N 286.238 3.909 30 20 CHED CCN(CC)C(=O)[C@@H](C)Sc1ccc(Cl)cc1C#N 601914902 YYRDBVYRZLDANK-SNVBAGLBSA-N 296.823 3.561 30 20 CHED CC(C)c1coc(NC(=O)C[C@@H](CC#N)c2ccccc2)n1 602394760 VXRSCEZNXITHQB-CQSZACIVSA-N 297.358 3.824 30 20 CHED C[C@H](CCC#N)CN1CCSC[C@H]1c1ccccc1 602440930 JQYQCDZRWLFVCW-ZBFHGGJFSA-N 274.433 3.716 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cccc(C#N)n2)C1 602476236 XAAGWHXWZXIHHT-UGSOOPFHSA-N 295.361 3.675 30 20 CHED CO[C@@H](CNC[C@@H](C)CCC#N)c1ccc(Cl)cc1 602568622 PMHWCFDIBMBAGC-WFASDCNBSA-N 280.799 3.557 30 20 CHED Cc1ccc([C@@H]2OCCC[C@H]2NC2CCC(C#N)CC2)cc1 602574105 WTQRAJRIMCYCKE-AWRGBYNESA-N 298.430 3.887 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2[C@@H](C)CCC2(C)C)c1 603034192 UHMPVBZSDUIQHD-LBPRGKRZSA-N 271.364 3.662 30 20 CHED C=CC[C@H](C)NC(=O)NCc1c(Cl)cccc1Cl 604897045 AFPNXQVFCUSFCD-VIFPVBQESA-N 287.190 3.757 30 20 CHED Cc1ccc(CN=c2c(C#N)c[nH]c3c(C)cccc23)cc1 610211470 ZRPJRSVKMMSSFA-UHFFFAOYSA-N 287.366 3.757 30 20 CHED CCc1nnc(CSCCCC(C)(C)C#N)s1 612023303 LBLJUWWCSNFPIA-UHFFFAOYSA-N 269.439 3.664 30 20 CHED C[C@@]1(C#N)CCCN([C@@H]2CCCc3ccccc32)C1 612166525 XCUZOGUDLOZZMQ-SJORKVTESA-N 254.377 3.690 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@](C)(C#N)C1 612364877 QIIAYNLYHREZSW-MJGOQNOKSA-N 298.430 3.654 30 20 CHED C=CCCCCN[C@H]1CCCc2cc(C#N)ccc21 613667618 WCNRCNNAKGVKDZ-KRWDZBQOSA-N 254.377 3.882 30 20 CHED C=CCCc1ccccc1NC(=O)c1conc1CC 614479740 OFXBIPHQYOMUHZ-UHFFFAOYSA-N 270.332 3.608 30 20 CHED Cc1noc([C@H](C)S[C@H](C)c2cccc(C#N)c2)n1 615465042 LLMRAZPZHMEVNQ-ZJUUUORDSA-N 273.361 3.805 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 617610981 HOGBNQCLSKFPGU-NWDGAFQWSA-N 283.293 3.501 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(F)c2)C1 617781336 KHBFCVYMOLPZOJ-NSHDSACASA-N 281.758 3.907 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 617789239 BJISDASUKHUNFM-OAHLLOKOSA-N 257.377 3.732 30 20 CHED Cc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1C 618741604 GWDVPKLWXZXIHQ-LJQANCHMSA-N 276.383 3.952 30 20 CHED CC(C)c1ccc(C(C)(C)NC(=O)NCC2(C#N)CC2)cc1 619528521 WWZDAVCKARZQPL-UHFFFAOYSA-N 299.418 3.648 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccsc1)C(C)(C)C 622944580 YFCYEKVMIGGIKF-NSHDSACASA-N 251.395 3.665 30 20 CHED C=CCC1(NCc2ccc(Cl)c(OC)c2)CCOCC1 623564887 VRHXZIVQLBWRGB-UHFFFAOYSA-N 295.810 3.564 30 20 CHED C=CCOCCCc1nc(-c2ccc(Cl)cc2C)no1 632215662 NSLJJSAYIINLGN-UHFFFAOYSA-N 292.766 3.834 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccccc1OC1CCC1 647120990 YUDRXGBWDOWKTF-UHFFFAOYSA-N 287.403 3.950 30 20 CHED COc1cccc(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1 647371443 QLXPEPQDCMPNMF-ZDUSSCGKSA-N 298.367 3.519 30 20 CHED C=CCC1(CNC(=O)C[C@@H](C)c2ccncc2)CCCC1 654081879 WUWKWCJIKHPLBX-OAHLLOKOSA-N 286.419 3.828 30 20 CHED C=CCC[C@@H](Nc1ccc(C)nn1)c1ccccc1 663734106 QFIYKSCDAUACEK-OAHLLOKOSA-N 253.349 3.904 30 20 CHED C=C(CNC(=O)Cc1ccc(C)c(C)c1)c1ccccc1 672480267 IASRPNADBZELKU-UHFFFAOYSA-N 279.383 3.676 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C)nc1 676268881 KYGQXFUKKCKTIT-UHFFFAOYSA-N 287.407 3.990 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)C1CCC1 677391316 LJEUASOTJYPXIG-AWEZNQCLSA-N 278.440 3.953 30 20 CHED C=CCCOCCCCC(=O)N1CCc2ccc(C)cc21 678824787 KTWIYKCCTUIWRF-UHFFFAOYSA-N 287.403 3.647 30 20 CHED CC#CCCCC(=O)Nc1ccc2c(cnn2C(C)C)c1 681001149 WPZKQAWBSHUTKC-UHFFFAOYSA-N 283.375 3.749 30 20 CHED C=C(C)CCN1CCC(CN2CCCCCC2)CC1 681398039 AWAGLYNHZRYYEB-UHFFFAOYSA-N 264.457 3.541 30 20 CHED C=CCC1(C(=O)Nc2cccc3ccncc23)CCC1 683063757 RXYOQSMQJBLLMP-UHFFFAOYSA-N 266.344 3.920 30 20 CHED C/C(=C\c1ccccc1)CNCc1ccc(C#N)cc1 726606897 GVAAJTINSGYQQT-RVDMUPIBSA-N 262.356 3.751 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(O)c(C)c2)c1 728231627 MISCMSIFZVXAJQ-VURMDHGXSA-N 268.312 3.605 30 20 CHED C=C(Br)CN1CC[C@H](c2ccccc2F)C1 730663154 ABTFNDYNCZOTAZ-NSHDSACASA-N 284.172 3.524 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)CCCCCC)CC1 732237697 DVYQFFPLHCZWCR-AWEZNQCLSA-N 266.429 3.953 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)c1ccccn1 733693165 VJFWVQLBYOANQY-PVAVHDDUSA-N 297.398 3.928 30 20 CHED C=CC[C@@H](NC(=O)N(C)[C@@H](C)CCC)c1ccncc1 734683369 LMRWULXJZTVZCB-DZGCQCFKSA-N 275.396 3.529 30 20 CHED C=C(Cl)CNC(=O)N[C@H](c1ccccc1)C(C)(C)C 737036515 CETFTYOFGZNZEL-CYBMUJFWSA-N 280.799 3.826 30 20 CHED CC(C)(C)c1nnc(CSc2ccccc2C#N)o1 741737260 XHIZPLJSMNRHRX-UHFFFAOYSA-N 273.361 3.531 30 20 CHED Cc1cc(C)cc(NN=Cc2c[nH]c3ncccc23)c1 741756791 REKSFHVZSZPWDS-UHFFFAOYSA-N 264.332 3.626 30 20 CHED CCCCCC[C@H](C)C(=O)N[C@@H](C#N)CC(C)C 742061740 ISKXWANCZKQVEH-UONOGXRCSA-N 252.402 3.647 30 20 CHED COc1ccc(CN[C@@H]2CSc3ccccc32)cc1C#N 742371831 GINSLKWTESUQGV-OAHLLOKOSA-N 296.395 3.503 30 20 CHED C#CCN(C(=O)c1cc2ccsc2[nH]1)C1CCCCC1 744001556 WXVOVVBXLOSEEU-UHFFFAOYSA-N 286.400 3.638 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C(/CC)c1cccc(Cl)c1 744489368 HIINWDCRMKNZCC-WQTVUKCASA-N 290.794 3.942 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C=C2CCCC2)n1 747197327 FBTAJTRSDFQZNF-LBPRGKRZSA-N 274.389 3.943 30 20 CHED CC(C)N(Cc1ccccc1F)C(=O)C#Cc1ccccc1 747371613 UJMDULRCBNCTTA-UHFFFAOYSA-N 295.357 3.614 30 20 CHED CCON=C(C)c1cc(Cl)ccc1OC(F)F 748075932 JFONIGSMCQNIBD-UHFFFAOYSA-N 263.671 3.702 30 20 CHED CC(=NNc1cnccn1)c1cc2cc(C)c(C)cc2o1 749158197 JSBIXMQYXWUERR-UHFFFAOYSA-N 280.331 3.676 30 20 CHED COc1cc(C#N)ccc1OC(=O)CC1CCCCCC1 749880890 ZZTZECGFKZIWPD-UHFFFAOYSA-N 287.359 3.833 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)OCc2ccc(C#N)cc2F)C1 750242232 QAGQCAKQJRSHAH-CHWSQXEVSA-N 289.350 3.957 30 20 CHED CSc1ccc(COC(=O)Cc2ccc(C#N)cc2)cc1 750247861 RRXNHWPICBVIQP-UHFFFAOYSA-N 297.379 3.566 30 20 CHED Cc1ccc(N(C)C(=O)/C=C\c2ccccc2C#N)cc1 751217348 SZCUUXOBRGIVAV-XFXZXTDPSA-N 276.339 3.543 30 20 CHED C#C[C@@H](CC)NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 753266220 ZPJJFMJAWNDJFD-QAPCUYQASA-N 298.430 3.971 30 20 CHED CCN(CC)c1ccc(CN2CCC[C@@](C)(C#N)C2)cc1 753588300 SSSPYQKATCKJLJ-SFHVURJKSA-N 285.435 3.658 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1ccc(C)cc1 753856980 BRRMMJFTQMFRDK-QXMHVHEDSA-N 282.339 3.908 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(F)cc2)cccc1[N+](=O)[O-] 756786792 JRJVALXUFSZDFQ-JXMROGBWSA-N 285.274 3.938 30 20 CHED Fc1ccc(F)c(C=NNCc2cccc(Cl)c2)c1 756830884 DRTOMQIZXCGTKN-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C#CC[C@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 756920621 BYXYLNYDXZYMOZ-INIZCTEOSA-N 282.318 3.712 30 20 CHED CC(/C=C\C(=O)c1cc(O)ccc1O)=C/c1ccccc1 757468821 YGYOVAWIKXMULS-ICOAOPQBSA-N 280.323 3.940 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)/C=C\c1ccccc1C#N 757824308 HKQNNWYBHZHYGT-LENZSSGSSA-N 296.414 3.999 30 20 CHED CC[C@H]1CCCC1=NNc1ncnc2sccc12 758372053 OOPPWGGVRXFFFV-VIFPVBQESA-N 260.366 3.669 30 20 CHED C[C@@H]1C[C@H]1C=NNc1c(F)cc(F)cc1Br 758378999 SWIZDGLGSYIAMM-RQJHMYQMSA-N 289.123 3.781 30 20 CHED C[C@H](C[C@H]1CCOC1)/N=C\c1c(O)ccc2ccccc12 759643618 NSLFHKCHASXKHC-LDZPMVRZSA-N 283.371 3.779 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2ccc(C)cc2O)c1C 759652339 GPUIAIPJQLTHQI-HJWRWDBZSA-N 298.386 3.820 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H](C)OC1CCCCCC1 760463039 RTRRPRWXOAZIHM-OAHLLOKOSA-N 294.439 3.513 30 20 CHED Fc1cccc(NN=Cc2cnc(C3CC3)s2)c1 761813531 YBZSRHICFOIOSC-UHFFFAOYSA-N 261.325 3.606 30 20 CHED Fc1ccc(C=NOCC(F)F)c(Cl)c1Cl 761827407 SCXLNJKLIMTJIP-UHFFFAOYSA-N 272.053 3.748 30 20 CHED Cc1ncsc1/C=C1/Cc2ccc(Cl)cc2C1=O 762448754 ZNGROEDZXLVACC-YHYXMXQVSA-N 275.760 3.927 30 20 CHED CC(C)CC[C@H]1CCCC1=NNc1ccc(C(=O)O)cn1 763367482 AIZMITVBZNWQRR-GFCCVEGCSA-N 289.379 3.784 30 20 CHED CC(C)O[C@H]1CC(=NNc2ncccc2Cl)C1(C)C 764905679 ZMJMOWVREGSHOR-LBPRGKRZSA-N 281.787 3.726 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)C(C)C 766357657 WTDVFIFXCJAVCZ-VXGBXAGGSA-N 297.320 3.630 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccccc1SC 767116989 KNINFVPQGRDMNG-UHFFFAOYSA-N 262.374 3.501 30 20 CHED COc1cc(OC(=O)[C@H](C)c2cccc(C)c2)ccc1C#N 767152238 XYFQCDFTQBDZII-CYBMUJFWSA-N 295.338 3.584 30 20 CHED CCCCCCC[C@@H](C)N[C@H]1CCc2c[nH]nc2C1 768517026 GZIPDOVOIBOMQB-HIFRSBDPSA-N 263.429 3.606 30 20 CHED N#CCCN(Cc1ccccc1N1CCCCC1)CC1CC1 769335698 XCCHRZNTDPGHTD-UHFFFAOYSA-N 297.446 3.803 30 20 CHED CCC[C@H](C=Nn1c(S)nnc1CC)c1ccccc1 769566916 KFOKOJCQPNNPSR-CYBMUJFWSA-N 288.420 3.547 30 20 CHED COc1cccc(OC)c1C=NNc1c(C)cccc1F 769840400 JLXGOYZKRANBGX-UHFFFAOYSA-N 288.322 3.597 30 20 CHED CCCCCCCCCNC(=O)NC[C@H]1CCO[C@H](C)C1 770819497 NEINGIONDHCUJJ-CVEARBPZSA-N 298.471 3.851 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 773139202 SQOPRFJMRDNLLF-PDWCTOEPSA-N 271.495 3.556 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(Cl)nc1 773427374 GPGVCISYCBLTQP-GFCCVEGCSA-N 252.789 3.960 30 20 CHED C=C(CC)COC(=O)c1cc(C)nc2onc(C(C)C)c12 773501283 QHXCTRVTMKKPJW-UHFFFAOYSA-N 288.347 3.778 30 20 CHED C#CCCCCN[C@H](c1ccc2nc(O)oc2c1)C(C)C 774460305 OAJBBTUYWHVPQR-INIZCTEOSA-N 286.375 3.624 30 20 CHED COC(=O)c1ccccc1NN=C[C@@H]1C[C@@H]1c1ccccc1 776187619 VRAASYZXOJFFMV-GOEBONIOSA-N 294.354 3.675 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc2ccccc2c1O 776365044 NLKQVDOLANDPGE-UHFFFAOYSA-N 283.327 3.642 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(Cl)cc1F 776366880 UDWOPIZPULQCKB-UHFFFAOYSA-N 269.703 3.576 30 20 CHED Cc1ccsc1CCCC(=O)OCCC(C)(C)C#N 776394792 CKNSOSANJSHLAA-UHFFFAOYSA-N 279.405 3.862 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C\SCc1ccco1 776397470 NNJGYBBMVIOVPN-UITAMQMPSA-N 279.361 3.510 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C)CCSC 776844836 MYDWIBAPKFXUNZ-GFCCVEGCSA-N 295.473 3.836 30 20 CHED C#CCOc1cccc(Cl)c1CNc1ccccc1 778159482 VSYXISSAZQTJSD-UHFFFAOYSA-N 271.747 3.964 30 20 CHED C#C[C@H](OC(=O)c1nc(C)sc1-c1ccccc1)C1CC1 779458533 IWBFSPNMZVIWJZ-AWEZNQCLSA-N 297.379 3.687 30 20 CHED CC/C(C)=C(/C)C(=O)Oc1c(Cl)cc(C#N)cc1OC 779740791 IAWGASRGBXWDOC-KTKRTIGZSA-N 293.750 3.872 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1cccc(OCC)c1 779881464 LLAQXEWDGBOMLH-OAHLLOKOSA-N 287.403 3.846 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](c2cccc(F)c2)C1 779904285 CDAIZEPAZOMOMQ-INIZCTEOSA-N 287.378 3.725 30 20 CHED C#CCCCCCC(=O)NCc1coc(-c2ccccc2)n1 779918824 KESAJOQDTNUNKM-UHFFFAOYSA-N 296.370 3.542 30 20 CHED N#Cc1cc(F)c(C(=O)OCC2CCCCCC2)c(F)c1 781482979 SRUIWIUXDLYXPB-UHFFFAOYSA-N 293.313 3.964 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=S)Nc1ccccc1 782452146 ZOWZYAHXFIIYIO-INIZCTEOSA-N 293.395 3.532 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)[C@H]1CCCCS1 783430747 JONIIHYXYAVSIU-CYBMUJFWSA-N 295.791 3.541 30 20 CHED CC(C)[C@@H](F)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 784147847 ZRKMTAFZBYDKDU-HUUCEWRRSA-N 290.382 3.659 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(O)ccc1Cl 785867529 MNZXEXQQCXUZHB-UHFFFAOYSA-N 281.739 3.532 30 20 CHED N#CCCn1cc(C=NNC2CCCCC2)c2ccccc21 786043620 PMFRUEHOYUEPJO-UHFFFAOYSA-N 294.402 3.811 30 20 CHED C[C@H](CC(=O)OCC1(C#N)CCC1)c1c[nH]c2ccccc12 786494145 QKIHTVRSKHCXRK-CYBMUJFWSA-N 296.370 3.899 30 20 CHED COC(=O)c1cc(NCc2ccccc2C#N)c(C)cc1C 788062952 ODGPESSYLDDNDY-UHFFFAOYSA-N 294.354 3.574 30 20 CHED C#CCC1(C(=O)NCCCOc2ccccc2)CCCCC1 788134747 KLCCGWMWWLDNBK-UHFFFAOYSA-N 299.414 3.546 30 20 CHED Clc1cccc2c1CCCC2=NNCCc1ccncc1 789096302 ADTPSOQOMMSSPZ-UHFFFAOYSA-N 299.805 3.608 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H]1CCOc2c(C)cccc21 789678400 IIEXSUHJOSJCIV-WMLDXEAASA-N 274.360 3.964 30 20 CHED CCOc1ccccc1C=NOCCCC1CCOCC1 790425669 CREVLEOLNSNGBZ-UHFFFAOYSA-N 291.391 3.643 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](C)c1c(F)cccc1Cl 791025756 GBDXZXLQHYFVMU-GHMZBOCLSA-N 296.773 3.641 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCCC2)c1cncc(F)c1 792885854 WSGDTLMBACBXTL-SOFGYWHQSA-N 281.330 3.996 30 20 CHED Clc1cccc(NN=Cc2cccc3[nH]ccc23)n1 793174912 NXUVMVWOYBUXPC-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CCC(CC)(CNC(=O)c1ccc(C#N)o1)c1ccccc1 794356497 HHKHIJPWNDPXTH-UHFFFAOYSA-N 296.370 3.639 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@H]2CCF)o1 794899219 IWCULFLGEMPRMR-JTQLQIEISA-N 278.331 3.597 30 20 CHED CC(C)n1nccc1/C=C1/Cc2c(Cl)cccc2C1=O 794936562 YDIHMXOZGIKNMA-FLIBITNWSA-N 286.762 3.940 30 20 CHED C=CCCCCOC(=O)[C@H](C)[C@H]1OCCc2sccc21 797272858 POTXAGRIPZLCQF-IUODEOHRSA-N 294.416 3.898 30 20 CHED CC(C)C[C@@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1 801937953 AEEXMOFVMDPCJU-CZUORRHYSA-N 294.826 3.945 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)C#Cc2ccccc2)C1 804779405 BUYATFKJFUFDED-LPHOPBHVSA-N 289.378 3.648 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1sccc1CC 804832184 IJEYVKUEXNATQQ-UHFFFAOYSA-N 283.396 3.586 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCCc1cccs1 804836501 NYTUJQNKMJUWEI-UHFFFAOYSA-N 297.423 3.733 30 20 CHED Cc1csc(NC(=O)[C@H](F)c2ccccc2)c1C#N 809007514 VECVEQIBAOSGFY-GFCCVEGCSA-N 274.320 3.578 30 20 CHED C[C@H]1/C(=C/c2ccc(C(=O)O)cc2)C(=O)c2ccccc21 809155906 HSHBEFXRUKZUQH-FFCYNSPCSA-N 278.307 3.768 30 20 CHED CC(C)(C)Oc1ccc(C(=O)/C=C/c2cnccn2)cc1 809156531 IKVRTPZKRYADFS-RMKNXTFCSA-N 282.343 3.550 30 20 CHED CC(C)CC(=NOC/C=C/Cl)c1ccccn1 811668184 CDEUIWLAPCMSNO-WGADZVHZSA-N 252.745 3.601 30 20 CHED COc1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1O 811699448 UQLMUWUSZPKHLU-SREVYHEPSA-N 290.265 3.575 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)c1cccc(Cl)c1 811887453 ALAUGHBYTZFGGV-UHFFFAOYSA-N 297.785 3.917 30 20 CHED C#C[C@@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1 811949330 UZTSVSAULMMCCO-QGZVFWFLSA-N 297.785 3.763 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](C)c1cc2ccccc2s1 812034310 HFXUJKIEMSXKJO-AAEUAGOBSA-N 286.400 3.673 30 20 CHED N#CCCN(C(=O)C1(F)CCCCC1)c1ccc(F)cc1 813448732 WHOWWYWAZKOYFR-UHFFFAOYSA-N 292.329 3.745 30 20 CHED C=CCOCCOC(=O)c1csc2cc(C)ccc12 813894783 XJPPLJBFIAUFBG-UHFFFAOYSA-N 276.357 3.569 30 20 CHED N#Cc1ccc(C(=O)NC(C2CCCC2)C2CCCC2)o1 814115388 ICYHFNMMZOBWML-UHFFFAOYSA-N 286.375 3.630 30 20 CHED N#CCOC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 814494584 UWJOYLMZDWDVLM-UHFFFAOYSA-N 295.216 3.646 30 20 CHED CO[C@](C)(C=NNc1cccc(C(F)(F)F)c1)C1CC1 814690106 UHZBFIJSXGTHBV-CYBMUJFWSA-N 286.297 3.918 30 20 CHED CC1(C)CC(=NNc2ccc(OC(F)F)cc2)C1 814828610 LLEIPOLWUCLITA-UHFFFAOYSA-N 254.280 3.876 30 20 CHED COc1ccc(NN=C2COc3cc(C)c(C)cc32)cc1 814885261 UENHYECOJFSIOL-UHFFFAOYSA-N 282.343 3.521 30 20 CHED C#CCON=C(Cc1c(F)cccc1Cl)c1ccoc1 814936446 SBRRSVZTTXDPNQ-UHFFFAOYSA-N 291.709 3.669 30 20 CHED CN(C)c1ccc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 815093653 PSTJDJAFIGNGAA-KXBFYZLASA-N 297.446 3.624 30 20 CHED C[C@@H](CC1CCCCC1)NC[C@@H](O)c1ccc(C#N)cc1 819266115 DXAJXKCYKDBCKS-KBXCAEBGSA-N 286.419 3.540 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(Cl)cc2Cl)on1 821022417 QYSQZQRVMMHFRN-HYXAFXHYSA-N 298.125 3.886 30 20 CHED C[C@@]1(CCOC(=O)CCCCCC#N)C[C@@]1(F)Cl 822040785 MAGJZFCEGLUNQJ-OLZOCXBDSA-N 275.751 3.708 30 20 CHED CCCCCCCC(=O)NCCOc1ccc(C)cc1 822359429 FNIIGDLFZNSTDZ-UHFFFAOYSA-N 277.408 3.851 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)C1CCN(C(=O)OC)CC1 824203696 XGAFMGOBCHVKGT-LSDHHAIUSA-N 296.455 3.578 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(C)=C1CCC1 824230818 CXCQCUODGWNZAK-UHFFFAOYSA-N 261.390 3.763 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(Cl)cc1SC 824290785 VXBWCCRALWLQJE-MRVPVSSYSA-N 286.784 3.690 30 20 CHED C=CCCN(OCc1ccccc1)[C@@H](C)c1csnn1 829106009 FCYPBBJLENHQNC-ZDUSSCGKSA-N 289.404 3.609 30 20 CHED C=C[C@@H](CC)CC(=O)N1Cc2ccccc2N2CCC[C@@H]2C1 829519411 BTNYFYUTPYGDCF-DOTOQJQBSA-N 298.430 3.600 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2ccc(C(=O)O)[nH]2)cc1C 832876232 WPUMWXNPEOIKSZ-ALCCZGGFSA-N 283.327 3.534 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)C1CCC1 834949685 JQGJNWKCKJRIIX-UHFFFAOYSA-N 260.341 3.648 30 20 CHED COc1cc2ccccc2cc1C=NOCCOC(C)C 834981697 WUMVOMZTUSYDCY-UHFFFAOYSA-N 287.359 3.624 30 20 CHED CCC(C=NNc1cc(C(F)(F)F)ccn1)CC 834984592 WMKABCKWFGDJFQ-UHFFFAOYSA-N 259.275 3.934 30 20 CHED Fc1ccccc1CNN=C1CCC[C@H]1c1ccccn1 835010730 GASQQPKMEFPNAW-AWEZNQCLSA-N 283.350 3.634 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OC[C@H]1CCCCC1(F)F 835644433 XGPYRVIPISMGPW-OCCSQVGLSA-N 290.350 3.584 30 20 CHED C#Cc1cncc(C(=O)N(CC(C)C)c2ccc(C)cc2)c1 837068484 FMOZRHNSIPKYJY-UHFFFAOYSA-N 292.382 3.674 30 20 CHED C#CCC[C@H](C)OC(=O)c1ncoc1-c1ccc(C)cc1 839039476 PYISZPUADPSFMM-ZDUSSCGKSA-N 283.327 3.609 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(Cl)c2F)C1 839051365 DJYKEHOMDKPZKH-VHSXEESVSA-N 281.714 3.718 30 20 CHED Cc1cccc(CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1Cl 839060931 ZYMGBSBSAFNTDI-TZMCWYRMSA-N 291.778 3.817 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(Cl)ncc2Cl)C1 839449334 MZKWBNJFHATGNK-BDAKNGLRSA-N 299.157 3.628 30 20 CHED N#C[C@@H](C(=O)CCc1ccccc1)c1nc(C2CC2)cs1 842936481 AYKCBWYLGJRXKR-AWEZNQCLSA-N 296.395 3.830 30 20 CHED C=C(CNC(=O)/C=C/C1CCCC1)c1ccccc1 843593511 BBMGUMPOQMVRML-VAWYXSNFSA-N 255.361 3.562 30 20 CHED Cc1cc(-c2cn(C)nc2C(C)C)ccc1CC#N 844229430 JANURGXCJZHXGF-UHFFFAOYSA-N 253.349 3.585 30 20 CHED C#CCCCNCc1oc2ccccc2c1Br 848539625 BVNWYBDGVQBFAP-UHFFFAOYSA-N 292.176 3.698 30 20 CHED CCCCCCCCNC(=N)NCc1ccccc1OC 849055593 NSIKUILJRAWZID-UHFFFAOYSA-N 291.439 3.670 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CC[C@H]1CC1(Cl)Cl 851202899 MXXMPZOHNCJFTR-ZJUUUORDSA-N 292.206 3.832 30 20 CHED CC#CCCCC(=O)OCCc1ccnc2ccccc12 851302653 AEZZYHYZPOXDTG-UHFFFAOYSA-N 281.355 3.514 30 20 CHED C=C(Cl)CSCc1ccc(C#N)cc1OC 853783908 QRWUABLIQDDSMZ-UHFFFAOYSA-N 253.754 3.553 30 20 CHED C=C(C)CN1CCC(N[C@H](C)Cc2cccc(C)c2)CC1 866261516 VOYDOLNHPMYSNG-QGZVFWFLSA-N 286.463 3.556 30 20 CHED N#CC1(c2ccc(-c3ccc(N4CCCC4)nc3)cc2)CC1 871885736 OKVFXPZFZZINOO-UHFFFAOYSA-N 289.382 3.904 30 20 CHED C#CCCCCCCN[C@H](C)c1ccc2nc(O)[nH]c2c1 877031032 LRKCDYOUCJWNNZ-CYBMUJFWSA-N 285.391 3.503 30 20 CHED Cc1ccccc1SC[C@@H](C)CN[C@H](C)CC#N 878819681 AOMPMJZXLKWXED-GXTWGEPZSA-N 262.422 3.615 30 20 CHED CC(C)CCN(C(=O)Nc1cc(C#N)ccc1F)C1CC1 888354089 QCTQUCHXODANLC-UHFFFAOYSA-N 289.354 3.740 30 20 CHED N#C[C@H]1CCCN(c2nc(Cl)cc3cc(F)ccc23)C1 895648788 IJFYKTFJDNMUGK-SNVBAGLBSA-N 289.741 3.767 30 20 CHED C=CCC1(c2nc(-c3ccc(C)nc3O)no2)CCCC1 896209134 VHGXUNMQDIBVAQ-UHFFFAOYSA-N 285.347 3.534 30 20 CHED C#CCCCCCC(=O)NCc1ccc(-c2cnco2)cc1 898062533 OXPVJUVIOFLMNZ-UHFFFAOYSA-N 296.370 3.542 30 20 CHED Cc1ccc(Cl)cc1C(=O)N(O)Cc1ccc(F)cc1 901371937 LCDZALSWXXAYDM-UHFFFAOYSA-N 293.725 3.819 30 20 CHED CC[C@H](N[C@H]1CCO[C@H](C2CC2)C1)c1cccc(C#N)c1 902954936 ZTJSCBMNSNGUKF-BZSNNMDCSA-N 284.403 3.557 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1cc(Cl)ccc1C#N 903794760 DKFGLGWISDCKCR-LLVKDONJSA-N 276.767 3.777 30 20 CHED C=C1CCC(c2nc(-c3ccc(OC)cc3)no2)CC1 904365005 OWZVATYLRWZZHP-UHFFFAOYSA-N 270.332 3.959 30 20 CHED Cc1ccncc1/C=C\C(=O)OCCCCC1(C#N)CCC1 909256781 IPWFVQWRCWNLPK-WAYWQWQTSA-N 298.386 3.811 30 20 CHED CON=Cc1ccc(C(=O)Oc2cc(C)ccc2C)cc1 912711434 XGAFMVCESNBLSV-UHFFFAOYSA-N 283.327 3.503 30 20 CHED CCCCCCCC(=O)Nc1cccnc1OCC 915055445 OVYYJQMMTQCMJG-UHFFFAOYSA-N 264.369 3.779 30 20 CHED C#CCNC(=O)Nc1ccccc1SCc1ccccc1 915329777 IWJLSMXWYLEBLR-UHFFFAOYSA-N 296.395 3.734 30 20 CHED CCOc1ccccc1C(C)=NNc1ccccc1[N+](=O)[O-] 916249366 GWCJLJLYHQEGDM-UHFFFAOYSA-N 299.330 3.830 30 20 CHED C=CCN(Cc1cc(-c2cccs2)on1)C(C)C 917070353 ANYVWGQKPXHKCC-UHFFFAOYSA-N 262.378 3.800 30 20 CHED CC[C@@H](N[C@H](C)CC(C)(C)C#N)c1c(C)noc1C 925637427 LCOVJMBLVRWRNJ-ZWNOBZJWSA-N 263.385 3.661 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCO[C@H](C(C)C)C1 933341942 VLDOLKXDRIISIZ-HOTGVXAUSA-N 281.440 3.642 30 20 CHED N#CCOc1cccc(CNCc2cc(Cl)cs2)c1 1116819071 QLKOSEMNCUEABS-UHFFFAOYSA-N 292.791 3.594 30 20 CHED C=C(C)CCC(=O)O[C@H](c1ncccn1)C1CCCC1 1122798712 URZYDEUADWZRRD-HNNXBMFYSA-N 274.364 3.607 30 20 CHED C=CCCCCCCCNC(=O)/C=C/c1nccs1 1123828603 PJOJJLJWTZRZJH-MDZDMXLPSA-N 278.421 3.799 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(C#N)c1 1124203429 FEOCPLAZYANFEP-ZFWWWQNUSA-N 256.349 3.713 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccc(OC)c(C#N)c1 1132759977 LZQLWNLHABCLSC-GFCCVEGCSA-N 274.364 3.722 30 20 CHED CCCN(Cc1ccccc1F)CC1(CC#N)CC1 1174615497 UJHGGDBLFKPUMD-UHFFFAOYSA-N 260.356 3.732 30 20 CHED N#Cc1ccc(CNc2cccc(-c3ccon3)c2)cc1F 1183971914 LEWRMRLMZOPVBT-UHFFFAOYSA-N 293.301 3.964 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)n1 1185188754 VZXAOAFLTXZCBS-QBYUYEEZSA-N 281.403 3.748 30 20 CHED COc1cccc([C@@H]2CCCN2C[C@H](C)CCC#N)c1 1262006970 NVLZWOSOLUMSKW-PBHICJAKSA-N 272.392 3.772 30 20 CHED Cc1csc(NC(=O)N(C)C2CCC(C)CC2)c1C#N 1310700866 GOOIZCLSUMUCHR-UHFFFAOYSA-N 291.420 3.971 30 20 CHED COc1cc(O)ccc1C=NNc1ccc(C)c(Cl)c1 1317745269 WRHKHXKFPXJIOC-UHFFFAOYSA-N 290.750 3.809 30 20 CHED C#CCN(Cc1csc(Cc2ccccc2)n1)CC1CC1 1319666115 CSGDUZGAVPUFCK-UHFFFAOYSA-N 296.439 3.579 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1nc(-c2ccccc2)cs1 1320306185 NIHQMGHDLUBDDH-OCCSQVGLSA-N 288.416 3.662 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1cccc(CC#N)n1)CCC2 1323326348 AGNLEPHHPFLHDV-KRWDZBQOSA-N 277.371 3.946 30 20 CHED Cc1ccccc1C(F)(F)C(=O)N[C@](C)(C#N)C(C)(C)C 1342653591 MDEBXTGOGPQYJJ-OAHLLOKOSA-N 294.345 3.531 30 20 CHED Cc1ccc2[nH]c(C(=O)OCC(C)(C)C#N)c(Cl)c2c1 1343332584 WVLHGWBUFJAFPY-UHFFFAOYSA-N 290.750 3.836 30 20 CHED C=C1CCN(c2nnc([C@H](C)SC)n2CC(C)C)CC1 1344903280 BOPFBAWODXTHHF-ZDUSSCGKSA-N 294.468 3.515 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)O[C@@H](CC#N)c1ccco1 1345546425 FFUYPBHBWVCZOU-DYEKYZERSA-N 261.321 3.604 30 20 CHED C[C@H](c1cccc(F)c1)c1nnc(-c2ccc(C#N)cc2)o1 1345867571 SIOCLOSUDZSYDY-LLVKDONJSA-N 293.301 3.899 30 20 CHED N#Cc1ccc(C(=O)OC[C@@H]2CCCC(F)(F)C2)c(F)c1 1345947578 BRRARWBXRVWATM-LLVKDONJSA-N 297.276 3.680 30 20 CHED C#CC[C@@H](OC(=O)c1oc(C2CC2)nc1C(F)F)C(C)C 1347378925 BJHASFMUYQBGNV-SNVBAGLBSA-N 297.301 3.694 30 20 CHED Cc1cc(F)ccc1NC(=O)[C@H](CC#N)c1ccccc1 1348664728 YODHREIUZXUKCV-OAHLLOKOSA-N 282.318 3.770 30 20 CHED CC(C)N(C(=O)c1csc(C#N)c1)c1ccccc1 1356191233 LKNIURIKYCVZAM-UHFFFAOYSA-N 270.357 3.675 30 20 CHED CC(C)(C#N)C[C@H](O)CN[C@H](C1CCCCC1)C1CCC1 1356622874 VMOMYKLSNIFZCP-DLBZAZTESA-N 292.467 3.626 30 20 CHED N#Cc1cc(Cl)ccc1SCc1ccncc1 1458972244 ZWEMDRVYTOHGAI-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)CSC1CC1)c1cccs1 1515586467 CAUKKHMJTLQFKR-IINYFYTJSA-N 295.429 3.778 30 20 CHED CCCc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1 1523027959 VSONRCFIZGDVEW-UHFFFAOYSA-N 282.318 3.902 30 20 CHED CCC[C@@H](CC)C(=O)N(CCC#N)CCC(C)C 1565638761 KKIQWJKKUGQRGF-CQSZACIVSA-N 252.402 3.601 30 20 CHED C=CCCC(C)(C)CNCc1[nH]cc(C(=O)O)c1C1CC1 1588778059 SAMZCHJGDSSJBB-UHFFFAOYSA-N 290.407 3.672 30 20 CHED Cc1cc(F)c(C#N)c(Nc2cccc([C@H](C)C(=O)O)c2)c1 1600223481 FWDUNMYWYUFGDY-NSHDSACASA-N 298.317 3.938 30 20 CHED Cc1sc(NC(=O)[C@H](C)C#N)nc1C1CCCCC1 1624522087 JGHFCJZGKQIWFR-SECBINFHSA-N 277.393 3.597 30 20 CHED Cc1cc(C#N)cc(NC(=O)CNc2c(C)cccc2C)c1 1642592254 CUXJZGDKHQYWOM-UHFFFAOYSA-N 293.370 3.534 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)[C@H]1CCCC[C@H]1C 1642722596 RBZLYCHURKRJOR-PBHICJAKSA-N 286.419 3.967 30 20 CHED COc1ccc(CN2CCc3ccc(C#N)cc32)cc1Cl 1645169625 OLLBSNBSOQKKLQ-UHFFFAOYSA-N 298.773 3.783 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(CCSC)cc2)n1 1651482690 RPAYPMLXAVDSOC-UHFFFAOYSA-N 298.415 3.560 30 20 CHED Cc1cccc(C)c1CN(C)c1c(C#N)cccc1C#N 1652277271 HEGYMIMDYURNSG-UHFFFAOYSA-N 275.355 3.683 30 20 CHED CC(C)(C)c1cnc(SCc2ccccc2C#N)[nH]1 1653009851 DFAGCNNRVLJCKE-UHFFFAOYSA-N 271.389 3.871 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC/C=C/c1cccc(F)c1 1656187083 YNHKJPBHBKNRJV-GVTIMSHASA-N 292.357 3.988 30 20 CHED C[C@H]1CCCC[C@@H]1CN(C)Cc1cccc(C#N)c1 1657582285 JECNNCRYRJDHGB-WMLDXEAASA-N 256.393 3.816 30 20 CHED COc1ccc(C[C@@H]2CCCCN2CC2(CC#N)CC2)cc1 1659318275 LZBAIWDUNRBXRO-KRWDZBQOSA-N 298.430 3.786 30 20 CHED CC(C)(C)C1CC(=NNc2ccccc2C(=O)O)C1 1776030764 NIDDWZYQZCGBJC-UHFFFAOYSA-N 260.337 3.609 30 20 CHED C[C@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)[C@@H](C)C1 1776062413 SNULRPRISUNBEG-UWVGGRQHSA-N 278.327 3.748 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C(=O)O)ccc1Cl 1776147254 QEYNMSULDOHLAE-UHFFFAOYSA-N 281.739 3.579 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@@H]2CCCC(C)(C)C2)C1 1776153638 PJGITYOQCCZYRV-QAPCUYQASA-N 293.451 3.946 30 20 CHED C=CCCCCCN=c1c(C(=O)O)c[nH]c2ccc(C)cc12 1776173518 QLWYZOUHBQQBQW-UHFFFAOYSA-N 298.386 3.822 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1ccccc1C#N 16420985 ACMZNFHGTYQAGO-LBPRGKRZSA-N 268.385 3.739 30 20 CHED CC1CCC(=NNc2ncnc3sccc23)CC1 19329901 PIRNCSBIGCOASP-UHFFFAOYSA-N 260.366 3.669 30 20 CHED CC(C)Oc1ccc(NCc2cccc(C#N)c2)cc1 20472938 PVPZZHPZGZVBKI-UHFFFAOYSA-N 266.344 3.958 30 20 CHED C[C@H](Nc1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 20826615 WOLWNEKMGAJTML-ZDUSSCGKSA-N 294.354 3.893 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1c(F)cccc1F 37748620 POKHOZIRKAZGRV-LLVKDONJSA-N 272.298 3.687 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1 45403724 TUEIAAAZRLZYEF-UHFFFAOYSA-N 296.345 3.750 30 20 CHED CC(C)CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 47649303 PRDFYMLCRIVTEQ-ZIAGYGMSSA-N 287.407 3.743 30 20 CHED COc1cccc(/C=N\[C@@H](C)c2ccc(C)cc2)c1O 48627733 FECDZLVACATIER-FHNWIRHTSA-N 269.344 3.889 30 20 CHED N#Cc1ccc(CCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 54277203 SHUYAGZYIJXTOU-ZWKOTPCHSA-N 296.414 3.672 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(COC)cc2)c1 55722655 SNOVUCACPCZSJB-UHFFFAOYSA-N 297.354 3.650 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)CCc2cc(O)ccc21 60340091 VJVANKDDRYLLRY-KPKJPENVSA-N 286.277 3.883 30 20 CHED Cc1c([C@H](C)OC(=O)C(C)(C)C#N)oc2ccccc12 60786821 QAXFEEXMBTUWKG-NSHDSACASA-N 271.316 3.895 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1cccc(OCC)c1 68886474 VWXYOFKKZOTCBG-AWEZNQCLSA-N 288.391 3.530 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)NCc2ccc(C#N)cc2)C1 73630537 XOJPGSYYESATTL-SFHVURJKSA-N 299.418 3.670 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cn(C)nc2C)cc1C 77506669 DOBXWMHNBSZTCO-VOTSOKGWSA-N 268.360 3.550 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(C#N)cc2)o1 79626945 QWVMOZYBQQUUIU-ABAIWWIYSA-N 295.342 3.596 30 20 CHED Cc1cccc(C)c1NCc1ccc(F)c(C#N)c1 83399075 QAZNNRSBNNFNEC-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C[C@H](C(=O)O[C@@H](C#N)C1CC1)c1ccc2ccccc2c1 84695805 ZJRFGFMZEYUEGQ-SJCJKPOMSA-N 279.339 3.789 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(C#N)cc2)C12CCCC2 85678099 YBMQMESPVHQGFQ-CVEARBPZSA-N 270.376 3.708 30 20 CHED Cc1nn(CCCC(C)(C)C#N)c(C)c1Br 87606992 KMGMTKIIFVUHED-UHFFFAOYSA-N 284.201 3.592 30 20 CHED CCCCCCCCC(=O)N1CCC(CCC(=O)O)CC1 88362943 ODKVHLNLMINMKG-UHFFFAOYSA-N 297.439 3.840 30 20 CHED CCOc1cc(NCc2cc(C#N)cs2)ccc1OC 93492483 KETLOMBNRRUHMK-UHFFFAOYSA-N 288.372 3.639 30 20 CHED C=CCC[C@@H](C)NCc1ccccc1Br 96034301 LWLCDOIUBAAJDG-LLVKDONJSA-N 268.198 3.893 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1cccc(Cl)c1 98008550 HIBCKUWXVMNMAE-SREVYHEPSA-N 260.724 3.576 30 20 CHED N#Cc1ccccc1OCc1cc(F)ccc1Cl 98057318 WCFWFJLGRBVXRU-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC(C)[C@H](CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 103078496 STTSDCKDRWICCP-WMZOPIPTSA-N 286.419 3.871 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1CC(=O)O 103357306 SKKCEMPWTFGKDC-AWEZNQCLSA-N 283.412 3.593 30 20 CHED CCCCCOc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 103443179 BMWZYQFFPMRRBP-AWEZNQCLSA-N 288.391 3.630 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C)c(OC(F)F)c1 114667854 BAWAQVPSNBEFAM-NSHDSACASA-N 299.317 3.516 30 20 CHED CC1CCN(c2ccc(C#N)cc2Br)CC1 116942691 CWTHQSLUSXGQIA-UHFFFAOYSA-N 279.181 3.557 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCCC#N 121174054 TZJBDSGPWYUOSK-GFCCVEGCSA-N 265.426 3.872 30 20 CHED C=C(Br)CNCc1cccc(Cl)c1Cl 122712316 NYIROYIAEJPOOM-UHFFFAOYSA-N 295.007 3.992 30 20 CHED CN(CCC#N)c1ccnc2cc(C(F)(F)F)ccc12 122836458 RCEZEGHSDRHAKB-UHFFFAOYSA-N 279.265 3.603 30 20 CHED C#CCCCCNCc1cc(Cl)ccc1Cl 125973263 FKEDBCWDIOASRZ-UHFFFAOYSA-N 256.176 3.887 30 20 CHED C[C@]1(CNc2cc(Cl)ccc2C#N)CCCS1 126425185 PGSCQVPJVKGMEV-CYBMUJFWSA-N 266.797 3.909 30 20 CHED CC[C@H](SC)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 127747705 OTBIJFUUNLVVIT-DOMZBBRYSA-N 290.432 3.609 30 20 CHED C=C(C)COc1cc(CNc2cccc(C)n2)ccc1OC 131182436 GQADLCHIPYOJGL-UHFFFAOYSA-N 298.386 3.966 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 132103205 NOCXRRUBIBDRGW-GHMZBOCLSA-N 261.325 3.703 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)s2)s1 135496121 XLPGVIQIQOKJSA-UHFFFAOYSA-N 268.794 3.624 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 135713411 WZOJDHMMMFCFLF-QWHCGFSZSA-N 260.381 3.650 30 20 CHED C=CCCOCC(=O)Nc1cccc(OC2CCCC2)c1 146633132 GFMGTESFGWNWIA-UHFFFAOYSA-N 289.375 3.539 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(-c2nnc(C)o2)c1 150920811 HUZLPZUMAYGKPS-UHFFFAOYSA-N 297.358 3.752 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cnc3ccc(C)cn13)C2 151426502 JYLASUPSELHHOG-DHDCSXOGSA-N 288.350 3.774 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](O)c1ccccc1)c1ccccc1 154448507 ZIYAPSLYFAKTQC-QZTJIDSGSA-N 295.382 3.544 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1ncc(C(C)(C)C)o1 155299579 NASAZFDKBDSFAL-NEPJUHHUSA-N 263.385 3.515 30 20 CHED C#CCCCCNC(=O)C[C@H](CC)c1ccc(C)cc1 155909813 VXIPOIUVPGGYOY-INIZCTEOSA-N 271.404 3.798 30 20 CHED C=C(C)CNC(=O)Nc1ccc(-c2nc(C)cs2)cc1 157280839 WPQCMDPQRGMJKK-UHFFFAOYSA-N 287.388 3.816 30 20 CHED Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2cccc(C#N)c2)c1 157396561 BNVJKBBZZBITGB-LBPRGKRZSA-N 281.315 3.948 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H](c2ccccc2)C2CC2)n1 161883779 ZJWVASSDXHAMEH-GJZGRUSLSA-N 296.395 3.822 30 20 CHED CC1(C)CC[C@H](NC(=O)c2ccccc2SCC#N)C1 162851487 XTZSAEQSMFYPTN-LBPRGKRZSA-N 288.416 3.611 30 20 CHED N#Cc1c[nH]c(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 175236676 NNWRKXWQEVOKPV-HNNXBMFYSA-N 299.761 3.517 30 20 CHED C=CCCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 175725375 GMVREVRSSRWKFU-IRXDYDNUSA-N 271.404 3.870 30 20 CHED CCS[C@@H](C(=O)O[C@@H](C)c1ccc(C#N)cc1)C(C)C 175810046 LIOOUKSJSWUFAA-SWLSCSKDSA-N 291.416 3.940 30 20 CHED C=CCC[C@H](O)CN[C@@H](CC)c1ccccc1OC(F)F 179721940 PXXJPBCBAJHOSS-JSGCOSHPSA-N 299.361 3.656 30 20 CHED C=CCCCCCN(C)Cc1cccc2nccn12 180310277 ICQYSBSQRRLEQE-UHFFFAOYSA-N 257.381 3.513 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 180447899 SEPSLRDUKZULEA-KGLIPLIRSA-N 297.320 3.843 30 20 CHED N#CC1(C(=O)Nc2cc(C(F)(F)F)ccn2)CCCCC1 180591343 JBVFNSMMDWSNIA-UHFFFAOYSA-N 297.280 3.513 30 20 CHED C[C@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 180938185 NCWVGYCGFAAXOD-NSHDSACASA-N 293.208 3.553 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1nc(C(C)C)cs1 180955709 HYDZCADVDHXTCW-GFCCVEGCSA-N 295.452 3.811 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1nc(C2CC2)cs1 181040589 NQXGEEAGNONADG-JTQLQIEISA-N 279.409 3.887 30 20 CHED CO[C@@H](C)CSc1ccc(C#N)c(C(F)(F)F)c1 181065997 VUJUFBCVUXBDLI-QMMMGPOBSA-N 275.295 3.704 30 20 CHED N#Cc1ccccc1SCc1nnc(C2CC2)n1C1CC1 181120295 CHHRVLUJIGLDSG-UHFFFAOYSA-N 296.399 3.654 30 20 CHED Cc1ccc(C)c(C(=O)Nc2ccccc2O[C@H](C)C#N)c1 182061010 YHMQRYYTGKACRJ-CQSZACIVSA-N 294.354 3.847 30 20 CHED Cc1ccc(F)cc1C=C1C(=O)c2ccccc2C1=O 182270062 OZRJSWVYRUFEFC-UHFFFAOYSA-N 266.271 3.597 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc(Cl)ccc1OC(C)C 183818844 RKNGZSONGFNFHC-LBPRGKRZSA-N 294.782 3.549 30 20 CHED CC#CCCCC(=O)Nc1nc(-c2ccccc2)cs1 184858939 IDBQDPQQXXAKIJ-UHFFFAOYSA-N 284.384 3.942 30 20 CHED CC[C@H](C)N(C(=O)c1ccccc1OCC#N)[C@H](C)CC 184937084 NXCPXRLDIQBQCN-OKILXGFUSA-N 288.391 3.628 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cccc(Br)c2)C1 185812869 LSQRCTDHSULHPM-SMDDNHRTSA-N 293.208 3.621 30 20 CHED C=CC[C@@H](C(=O)N(CCC)CC(F)F)c1ccccc1 187308606 NWJJHBSVQYJGLQ-CQSZACIVSA-N 281.346 3.850 30 20 CHED C=CCN(CC=C)Cc1ccc2nc(C)ccc2c1 189528035 XERXZUWNFZKTNH-UHFFFAOYSA-N 252.361 3.717 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(OCCC)cc1 189703369 JMBJSUXSROTLBS-QGZVFWFLSA-N 291.391 3.643 30 20 CHED Cc1cc(C)c(C#N)c(SC[Si](C)(C)C)n1 199958708 KGTIFBKECVXUAD-UHFFFAOYSA-N 250.443 3.540 30 20 CHED C=CCCCCCOc1cc(C=O)ccc1[N+](=O)[O-] 232585810 QMZDWOMDVJRDBL-UHFFFAOYSA-N 263.293 3.533 30 20 CHED C=C[C@H](C)N[C@@H](C)Cc1ccc(Br)cc1 235150584 LYWKHRLHGIIQBF-QWRGUYRKSA-N 268.198 3.544 30 20 CHED N#Cc1ccnc(N2CC[C@H](c3ccccc3)C2)c1Cl 236029633 MDMKIDGXGNGSOM-AWEZNQCLSA-N 283.762 3.601 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3occc32)cc1 237604686 CYPKUFOPLLWXMX-CXAGYDPISA-N 296.370 3.738 30 20 CHED CC(C)Oc1ccccc1C=NOCCOC(C)(C)C 254979771 LRDIYTKFLRYBNI-UHFFFAOYSA-N 279.380 3.639 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1C#N 255031078 MKCPDOWOVAPTOZ-KXFIGUGUSA-N 299.276 3.741 30 20 CHED CC(C)c1ccccc1OC[C@H](O)c1ccc(C#N)cc1 270123143 NBNFHJXVRCAZJK-KRWDZBQOSA-N 281.355 3.794 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1N(C)C)C1CC1 271542475 NOKANMXNZOIFFL-UHFFFAOYSA-N 293.798 3.588 30 20 CHED Cc1ccccc1[C@@H]1CN(CCC(C)(C)C#N)[C@H](C)CO1 272045247 RWYNYNSUFLBMEH-WBVHZDCISA-N 286.419 3.697 30 20 CHED C[C@H](NC(=O)C[C@H]1CCC[C@H]1C)c1ccc(C#N)cc1 274405433 NORVWZGTMGBESQ-DVOMOZLQSA-N 270.376 3.562 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1cccc(C)c1C 276061512 BWIIEIYZUWVSCA-AWEZNQCLSA-N 260.381 3.582 30 20 CHED C[C@@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 277983815 QTXSNGXXYLLTJR-GOEBONIOSA-N 284.403 3.721 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(F)cc1C 281220171 DAURTBVOVXXHSA-GFCCVEGCSA-N 250.317 3.610 30 20 CHED C=CCn1c(SCCCCCF)nnc1C1CC1 284856714 HWBQOMPODQWXPL-UHFFFAOYSA-N 269.389 3.573 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)nc1 285782624 KFCYIBPPQUGADS-NSHDSACASA-N 299.292 3.898 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2c(C)[nH]c3ccccc23)no1 288982131 ROZXMZUWKMTLIN-QGZVFWFLSA-N 294.358 3.641 30 20 CHED CC(C)(C#N)Cc1nc(-c2cccc(Cl)c2F)no1 289935175 YGBJGJCBKBSNKG-UHFFFAOYSA-N 279.702 3.621 30 20 CHED Cc1ccc2ncc(C#N)c(OCCC(C)(C)C#N)c2c1 291548497 AOHXUQNRIBOSPI-UHFFFAOYSA-N 279.343 3.734 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCCC#N 291779945 WSQLCXIVTYRIHI-JTQLQIEISA-N 299.201 3.734 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1cc(F)ccc1OC 292925725 DWPMZPFMMOWEQH-LLVKDONJSA-N 279.355 3.614 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(Cl)nn1 294995510 ZJYPDYQSPVNDPU-UHFFFAOYSA-N 297.830 3.953 30 20 CHED C=CC(C)(C)C(=O)NC[C@H](c1ccccc1)C1CC1 295276420 IBVCNZKTQPCELU-OAHLLOKOSA-N 257.377 3.509 30 20 CHED C=C(C)CCc1noc([C@@H](Cc2ccccc2)OC)n1 296858132 NLVBBQMJKOKKCD-CQSZACIVSA-N 272.348 3.509 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccccc1OCCF 297829238 VOMOULKJEYABAK-HNNXBMFYSA-N 265.328 3.576 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(C(=O)OC)c1Cl 297980793 XBHZIKRGWSSBOY-UHFFFAOYSA-N 295.766 3.667 30 20 CHED COc1ccccc1C[C@H](N[C@H](C)CCC#N)C(C)C 298838015 HUGRUZWJHIWULC-ZBFHGGJFSA-N 274.408 3.544 30 20 CHED C[C@@H](c1cccs1)N(CC#N)Cc1ccccc1 299365417 DMCZJQXDOPQESY-ZDUSSCGKSA-N 256.374 3.835 30 20 CHED CN(C)[C@H](CNc1cc(Cl)ccc1C#N)c1ccccc1 301275689 LYYXACVJISMKMN-QGZVFWFLSA-N 299.805 3.926 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 301672466 AJQLCOHVKXMGHA-LZLYRXPVSA-N 278.330 3.695 30 20 CHED C=CCCC[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 301992575 GJOGEAYPJRPUNP-NSHDSACASA-N 259.309 3.623 30 20 CHED CSc1ccc(Oc2cc(C#N)ccc2[N+](=O)[O-])cc1 302218462 QPQIRIMJKZQFND-UHFFFAOYSA-N 286.312 3.981 30 20 CHED CC(C)c1cccc(N/C(N)=N/C[C@H]2Cc3ccccc32)c1 303883257 MAQFHAAFZVXRQN-MRXNPFEDSA-N 293.414 3.877 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 305771874 KQZXHKYXAPJPRI-KXBFYZLASA-N 296.414 3.726 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1F 308069890 AWVCYQTWFHAKEJ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccccc2Br)C1 308857074 UEDFZIKSFFAHHP-ZJUUUORDSA-N 265.154 3.553 30 20 CHED CS[C@H]1CC[C@@H](Nc2nc(C)c(C#N)cc2Cl)C1 311054633 XWNCFUBTTCSBMP-MNOVXSKESA-N 281.812 3.611 30 20 CHED COc1ccc(C(C)=O)cc1OCc1ccc(C#N)cc1C 319410268 DCOUEMJGYKYTFI-UHFFFAOYSA-N 295.338 3.657 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 329613163 CRSXKBZWQQXCGV-HZSPNIEDSA-N 273.380 3.980 30 20 CHED CCCc1occc1/C(O)=N/C1CCC(C(=N)O)CC1 330374000 MDSUWJWXAQINEP-UHFFFAOYSA-N 278.352 3.631 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@]2(C)CC=CCC2)cc1 331356025 RKBXHCYVHOPYFF-GOSISDBHSA-N 282.387 3.716 30 20 CHED N#CC1(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CCCC1 332971040 AHZOYRBBEUBKFL-IRXDYDNUSA-N 296.414 3.913 30 20 CHED Cc1cc(C)n(-c2cccc(N[C@H]3CC[C@@H](C#N)C3)c2)n1 334801461 BWBQVWMKXQMMCM-ZBFHGGJFSA-N 280.375 3.593 30 20 CHED N#CCC1CCN(c2ccnc3cc(F)ccc23)CC1 335702304 UTTXYNKSMLWTEX-UHFFFAOYSA-N 269.323 3.504 30 20 CHED CN(C(=O)c1cc(F)cc(Cl)c1)c1ccc(C#N)cc1 336166266 SIBAKRHRYLYRGZ-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CC(C)[C@H](NC(=O)NCCCCC#N)c1ccc(F)cc1 337131737 KKJCOGHSEAJUIX-HNNXBMFYSA-N 291.370 3.516 30 20 CHED N#CCc1ccc(CNc2cc(CO)ccc2Cl)cc1 342440547 RGVHCYPZLHJBEG-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C=CCCOCCCCC(=O)NCc1ccc(C)c(F)c1 342645665 WDYBBJMVACQSAO-UHFFFAOYSA-N 293.382 3.513 30 20 CHED Cc1ccc(C#N)c(NCc2csc(-c3ccco3)n2)n1 342705811 QDEPYDWWRJFTAZ-UHFFFAOYSA-N 296.355 3.590 30 20 CHED CN(C(=O)CC#N)[C@@H](c1ccc(Cl)cc1)C1CCCC1 343751643 JHUZGKTXGOMHTQ-MRXNPFEDSA-N 290.794 3.943 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N(CC)CCC#N 344190539 STJAHMZJJOQNGC-HNNXBMFYSA-N 264.413 3.745 30 20 CHED N#Cc1cc(CN2CC[C@@H]2c2ccccc2)ccc1F 344365841 MLCKYLJIKYURNA-QGZVFWFLSA-N 266.319 3.644 30 20 CHED Cc1nc2ccc(Nc3ncccc3C#N)cc2s1 345299338 IIHFWUFRLDSKCD-UHFFFAOYSA-N 266.329 3.615 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2occc2C(C)C)no1 351162780 VULQUEBXYJUELW-NEPJUHHUSA-N 274.320 3.512 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(CC)o1 354837627 BYWAYFWMLIFNCI-UHFFFAOYSA-N 270.332 3.724 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1CCC(C)C 358801012 BYPLDNQHGSSTRZ-HNNXBMFYSA-N 276.428 3.568 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCCc2nn(C)cc21 358972638 WKSZNSFMKAMFLC-DZGCQCFKSA-N 261.413 3.522 30 20 CHED C=CC[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccccc1 359762531 IWVKTSCKXIKRTB-MRXNPFEDSA-N 284.403 3.792 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCCC#N 360004366 WZRZPPUPPDWALJ-GFCCVEGCSA-N 270.332 3.646 30 20 CHED N#CCCCN1Cc2ccccc2-c2ccccc2C1 360620957 MIPOYYJBCRIIKB-UHFFFAOYSA-N 262.356 3.973 30 20 CHED CC(C)(C#N)CCN1CCCC[C@H]1[C@H](O)c1ccccc1 363468735 MHYIJVZUGHCXGN-DLBZAZTESA-N 286.419 3.514 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(F)cc2C#N)C1 364104629 UQZPPRVYWJTGEI-UGSOOPFHSA-N 295.361 3.675 30 20 CHED CC(C)n1ncc2c1[C@@H](Nc1cccc(F)c1C#N)CCC2 368845941 VFXFFQNWASFIAD-INIZCTEOSA-N 298.365 3.964 30 20 CHED C#CCCCN[C@@H](C)c1ccc(Br)c(F)c1 381476864 RDMWIUKOLMODMO-JTQLQIEISA-N 284.172 3.652 30 20 CHED CSC[C@H]1CCCN1Cc1ccc(C#N)cc1Cl 400250132 USBZIEGTDUJORM-CYBMUJFWSA-N 280.824 3.539 30 20 CHED CCOc1ccc(CN(C)CCCC(C)(C)C#N)cc1 409446237 BCLPXPHCKWHKDD-UHFFFAOYSA-N 274.408 3.847 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(C(F)(F)F)c1 410135162 PNZPHDVBFJCDHO-GFCCVEGCSA-N 271.282 3.790 30 20 CHED CC[C@H](CC(C)C)C(=O)N(CC)c1ccc(C#N)cc1 410526764 OUJWQPYQJQEECT-OAHLLOKOSA-N 272.392 3.983 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)CC(F)F 413277176 ZZKCMGLUKQXEMZ-GFCCVEGCSA-N 294.345 3.587 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1ccccc1OC 414158833 ANSINXZADKHXJG-AWEZNQCLSA-N 260.381 3.676 30 20 CHED C=CCc1cc(C)cc(OC)c1OC[C@@H]1C[C@H]2CC[C@H]1O2 418953616 LRIPKSWBFGWEMH-ARFHVFGLSA-N 288.387 3.678 30 20 CHED C[C@]1(Cc2ccc(F)cc2)CCCN1CCCC#N 420931715 UARATQXQTIBTQL-MRXNPFEDSA-N 260.356 3.526 30 20 CHED CCCC[C@H](CC)CC(=O)NCc1ccc(C#N)s1 421598608 AXHGJNVBBCLQJI-LBPRGKRZSA-N 278.421 3.842 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2ncco2)cc1 424772545 XETABILZDNHCIO-UHFFFAOYSA-N 270.332 3.882 30 20 CHED C[C@H]1CN(c2ncc3c(c2C#N)CCC3)[C@@H]1c1ccccc1 425229215 LCJOGLJFECNFAD-UGSOOPFHSA-N 289.382 3.639 30 20 CHED CC[C@H](CC(F)(F)F)Nc1ncc2c(c1C#N)CCC2 425241565 NUHWOACYICLADH-SNVBAGLBSA-N 283.297 3.585 30 20 CHED N#CCCN[C@H](CCc1ccccc1)Cc1ccccc1 425959051 INOYOQICEJSAAU-LJQANCHMSA-N 278.399 3.734 30 20 CHED C=CCc1cc(CN2CC[C@@H]3CCC[C@@H]32)cc(OC)c1O 428455538 SPQQYWHLXSLDAB-HOCLYGCPSA-N 287.403 3.504 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(C#N)c1C 431693079 BVYCLLFLKLXQSC-IUODEOHRSA-N 271.364 3.567 30 20 CHED Cc1cnc(NCc2ccc(F)c(C#N)c2Cl)s1 432420949 NFMSKTZJVRHNNW-UHFFFAOYSA-N 281.743 3.728 30 20 CHED Cc1cc(OCc2cnn(-c3ccccc3)c2)ccc1C#N 434648362 KQMGLTKKZQAGID-UHFFFAOYSA-N 289.338 3.631 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)cs1 437138633 XVQHNCPZCPTDJR-CHWSQXEVSA-N 290.432 3.954 30 20 CHED CC(C)N(C)c1ccccc1CNCc1ccc(C#N)s1 438334450 LKVDPNZMIHMHIM-UHFFFAOYSA-N 299.443 3.754 30 20 CHED CC(C)OCc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 442876964 SXVQBXJFRWMDMD-GOEBONIOSA-N 258.365 3.716 30 20 CHED Cc1cc(CNCCCNc2cccc(F)c2)ccc1C#N 443984166 FIAFWUUEJWNTJC-UHFFFAOYSA-N 297.377 3.598 30 20 CHED C=Cn1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)cn1 447742103 BSWRQQTVERBQMY-UHFFFAOYSA-N 294.402 3.513 30 20 CHED CCOCc1ccccc1CNC1CCC(C)(C#N)CC1 449069196 FKAABBCXBSNQQQ-UHFFFAOYSA-N 286.419 3.785 30 20 CHED C=CCN(C(=O)c1ccc(C(F)(F)F)cc1C)C1CC1 450383644 AASRYTFRDREGBE-UHFFFAOYSA-N 283.293 3.804 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](CC)CC(F)(F)F 450426588 QIXINJIMLITVFZ-GHMZBOCLSA-N 265.319 3.826 30 20 CHED C=CCOc1ccc(CC(=O)N2CC3(CCCCC3)C2)cc1 450503572 SGOBHFUWUCJMOJ-UHFFFAOYSA-N 299.414 3.587 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1CCCCC#N 451149337 SLPJHXYFCJRWIL-QJPTWQEYSA-N 262.319 3.732 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(Cc2ccc(C(C)(C)C)cc2)no1 453054700 BNBNEGAODRGHJU-KPZWWZAWSA-N 295.386 3.759 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CCO[C@@H](c3cccs3)C2)C1 453424867 NAKHTILZTZOSDW-BYNSBNAKSA-N 290.432 3.640 30 20 CHED C[C@H](NC(=O)C1=CCC(C)(C)CC1)c1ccc(C#N)cc1 454595147 SSDNHXLFBFRZGO-ZDUSSCGKSA-N 282.387 3.872 30 20 CHED C=CCCCCNC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 454803104 FAQAOYHASCDBLI-ZIAGYGMSSA-N 264.413 3.563 30 20 CHED C=C(C)CCNC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 455307940 JEYNSDJVMBTVOF-VXGBXAGGSA-N 292.345 3.621 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cncc(Cl)c1C 455721964 ZSEQGTFEGZKWSI-SNVBAGLBSA-N 281.787 3.910 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(CSCC)cc1 455857408 JWPFSZUFMVWSCV-LLVKDONJSA-N 264.394 3.636 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](C)[C@H]2C)c1 455948733 BOJAJOSYLFSSHM-CHWSQXEVSA-N 271.364 3.519 30 20 CHED C=CCOc1ccc(CNCC(C)(C)CC#N)cc1Cl 459690803 JVZRSMYYNYOYDP-UHFFFAOYSA-N 292.810 3.934 30 20 CHED CC(C)(CC#N)CNC/C=C/c1ccc(F)cc1F 459728930 JOSXFEQUFSVONJ-ONEGZZNKSA-N 264.319 3.507 30 20 CHED C=C[C@H](C)NC(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 462218632 ILNBTXYSSHTAHO-HEHGZKQESA-N 272.392 3.574 30 20 CHED C=C(CC)CSCc1cc(OC)c(F)cc1[N+](=O)[O-] 464092246 MZMLXNZGSSSJKB-UHFFFAOYSA-N 285.340 3.942 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1c1ccccc1Cl 464758273 YCRLXDWKWCOCKO-RISCZKNCSA-N 278.783 3.761 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 466377264 CUJOKEBIWRXFEN-IRXDYDNUSA-N 286.419 3.615 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OCC)cc1C 466405757 QJJAVNJRFSBQNK-ZDUSSCGKSA-N 276.380 3.870 30 20 CHED CC(C)C[C@H](NCCc1cccc(C#N)c1)c1ccccn1 467461400 XXGYADAZFOHCKA-IBGZPJMESA-N 293.414 3.873 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C)Cc2ccccc21 468001539 VBZCKRHCKMQAHV-SUMWQHHRSA-N 257.377 3.814 30 20 CHED C=CCCCCNC(=O)Cc1coc2cc(F)ccc12 471709001 KCLBXUOIHAPSCB-UHFFFAOYSA-N 275.323 3.587 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)n([C@@H](C)CC)n1 476962438 OVTUOAIQULYIAC-AWEZNQCLSA-N 291.439 3.981 30 20 CHED C[C@@H](SCc1ccc(CC#N)cc1)C(=O)OC(C)(C)C 479709430 FPPJAAJDSUVJOS-GFCCVEGCSA-N 291.416 3.716 30 20 CHED CCCCN(CC)Cc1ccc(Cl)cc1C#N 480501437 QTQXIEORUAZDRR-UHFFFAOYSA-N 250.773 3.834 30 20 CHED CC#CCCN[C@@H](C)CC(=O)Nc1ccccc1C(C)C 482160431 BAUYITZGMPYBIC-HNNXBMFYSA-N 286.419 3.530 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1CCCc1ccccc1 483414828 IVBIWXMHBVFINN-GOSISDBHSA-N 298.430 3.597 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1c1cccc(C)c1C 483425778 KCAGDKYONFMKHL-KRWDZBQOSA-N 284.403 3.563 30 20 CHED Cc1ccc2sc(C(=O)N[C@@]3(C#N)CC3(C)C)c(C)c2c1 484904521 AHILFQVVLYONBL-QGZVFWFLSA-N 298.411 3.940 30 20 CHED C=CCCCCCN1CCC(N2CCCCC2)CC1 486807037 DCTKHLCDCUOXHT-UHFFFAOYSA-N 264.457 3.683 30 20 CHED C=C(C)COc1cc(CNC[C@@H]2CC2(C)C)ccc1OC 489062949 HMBNTHDGTHGSIJ-HNNXBMFYSA-N 289.419 3.786 30 20 CHED C=CCC(C)(C)CNC(=O)c1nccc2ccccc12 489824601 JCTNUUUEXLTPGC-UHFFFAOYSA-N 268.360 3.567 30 20 CHED C#C[C@H](NC1CCC(OC)CC1)c1ccc(Cl)cc1 491428339 OHKJPOBOMIGSLD-GPANFISMSA-N 277.795 3.562 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccccc1-c1csc(C)n1 491535315 BMOCSKHEFVIVKC-LLVKDONJSA-N 299.399 3.604 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)CCCC(C)C 492046511 NDCQTTIKZNOIOD-LSDHHAIUSA-N 266.429 3.951 30 20 CHED Cc1c(C#N)c(SCC[C@H](C)F)nc2c1CCC2 505443696 LWVYVRWPDKBTTE-VIFPVBQESA-N 264.369 3.591 30 20 CHED C=CCSCCNC(=O)C(CC)(CC)c1ccccc1 508901254 BICYPTRAARLYPY-UHFFFAOYSA-N 291.460 3.780 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)[C@@H]1CCCC[C@H]1C 509510817 YIKBOPQHUNRICQ-CXAGYDPISA-N 284.403 3.908 30 20 CHED C=C(C)CCN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 509656068 FZBTZARSLHWSDK-HNNXBMFYSA-N 283.774 3.819 30 20 CHED N#CC1(F)CCN(CCCc2ccc(Cl)cc2)CC1 510917299 OHMJFTBHIOGGIT-UHFFFAOYSA-N 280.774 3.600 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(C)C)nc1CC 512100572 URMRRSHHUUIFJI-CYBMUJFWSA-N 274.408 3.852 30 20 CHED C=CCCCCNC(=O)c1ccc(CN(CC)CC)cc1 513821756 PCVWMZSIZLQMRG-UHFFFAOYSA-N 288.435 3.615 30 20 CHED N#Cc1cccc(NC(=O)CSCC2=CCCCC2)c1 515224160 AFOQUQMLZPRLEC-UHFFFAOYSA-N 286.400 3.730 30 20 CHED Cc1cc(OCCC[C@H](C)NC[C@@H](C)C#N)ccc1Cl 515389578 IQHCWCIRWWTNQS-JSGCOSHPSA-N 294.826 3.945 30 20 CHED CCCCN1CCCC[C@H]1CNc1ccc(C#N)cc1 522382422 WDCKKMWPMZQRFE-KRWDZBQOSA-N 271.408 3.625 30 20 CHED CC(C)(C#N)CCN1CCC(Oc2cccc(F)c2)CC1 528572008 OWTWRETVWDSYAI-UHFFFAOYSA-N 290.382 3.609 30 20 CHED C=CCCN(Cc1ccc(OC)cc1OC)C(C)(C)C 532398807 NMNBCKMUOMJVEX-UHFFFAOYSA-N 277.408 3.880 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(CC)cc1)OCC 533702186 LIMAKMZYXHSXFK-HNNXBMFYSA-N 261.365 3.559 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)C[C@H](C)C1 538369528 QGSWLKROEUCZCI-KKUMJFAQSA-N 266.429 3.809 30 20 CHED C=CCN(C(=O)NCc1ccc(C(C)C)cc1)C1CC1 540111129 PMKPMFZAQQFILN-UHFFFAOYSA-N 272.392 3.670 30 20 CHED CN(Cc1ccc(CC#N)cc1)[C@H]1CCc2ccccc21 541280425 ONOQGCAYWODNDK-IBGZPJMESA-N 276.383 3.872 30 20 CHED CC[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1OC(F)F 544431993 FWSRTWHFUBDXPT-MNOVXSKESA-N 282.334 3.684 30 20 CHED C=C(CC)CS(=O)(=O)c1ccc(Cl)cc1Cl 549095700 MURFPSOYYJUJRC-UHFFFAOYSA-N 279.188 3.733 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(CC#N)CC1 549389682 MFLIKNBFEVZXCM-ZWKOTPCHSA-N 296.414 3.505 30 20 CHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CCCC2 549552545 BCRLIZVCVIXACX-HBUWYVDXSA-N 268.404 3.908 30 20 CHED COc1cccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)c1 551551628 CJVOXPHVSCVTLN-AWEZNQCLSA-N 292.382 3.907 30 20 CHED CC(C)n1cccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 551798685 IJODOESXTFUBLR-KRWDZBQOSA-N 287.407 3.661 30 20 CHED CC(C)(CNC[C@H](C#N)CCC#N)c1ccc(Cl)cc1 556060280 CVGQEWZRHAGQAE-ZDUSSCGKSA-N 289.810 3.651 30 20 CHED C=CCCCCNc1cc(NC(C)=O)ccc1F 556414371 LAUNNUFUEWSHIE-UHFFFAOYSA-N 250.317 3.552 30 20 CHED N#CCCCC(=O)Nc1cc(Cl)cc2cccnc12 562273603 HPGSOXBQOSIPGB-UHFFFAOYSA-N 273.723 3.521 30 20 CHED Cc1ccccc1OCCCN1CCC(CCC#N)CC1 563620776 QUQNLGZHRHWGKB-UHFFFAOYSA-N 286.419 3.780 30 20 CHED C[C@H](CC#N)Sc1ccccc1NCCC1(O)CCC1 564350985 VDOYEVJIWKEOFK-CYBMUJFWSA-N 290.432 3.798 30 20 CHED C=CCC[C@H](CO)N[C@H]1CCCc2ccc(SC)cc21 564972623 LCEMHFGJPXXWGV-PBHICJAKSA-N 291.460 3.703 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)Cc2ccc(C#N)cn2)c1 566418893 NBQCOTVGBKAPLU-OAHLLOKOSA-N 279.387 3.763 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCc2ccccc2C1 568277252 SPDIWJIVVDNUOF-KRWDZBQOSA-N 298.430 3.580 30 20 CHED CSc1ccc(NCc2ccc(C#N)c(C)c2)cn1 569071060 FRUBPMRMFBATFU-UHFFFAOYSA-N 269.373 3.596 30 20 CHED CC1(C)Cc2cccc(N[C@H]3CC[C@H](C#N)C3)c2O1 571012040 FSBWXRIFPKBSPX-AAEUAGOBSA-N 256.349 3.504 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 576407908 FOVCJYIQRLASLQ-CABCVRRESA-N 288.435 3.961 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)Cc1ccc(C(C)C)cc1 584457568 MOLNOWXQVHMIDX-UHFFFAOYSA-N 298.434 3.922 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)C(C)(C)C 590832473 DMOUSNFFFUHCAH-XJKSGUPXSA-N 279.428 3.536 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NCC(C)(C)CC#N 591243355 ZUKSUHCCQVMKEY-XJKSGUPXSA-N 256.393 3.839 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1S[C@H](C)CC#N 593454884 NODGVEJPFWVPLC-VXGBXAGGSA-N 287.388 3.569 30 20 CHED CC[C@H](C#N)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 593672048 KONGFJFLLPLKPJ-GFCCVEGCSA-N 288.778 3.505 30 20 CHED CC1(C)C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2cc(F)ccc2O1 593674550 XHYYDLCILAXTIA-LNSITVRQSA-N 288.366 3.710 30 20 CHED COC[C@@H](C)Oc1ccc(CNc2cccc(C#N)c2)cc1 594933678 AZRVQQLWGYYUME-CQSZACIVSA-N 296.370 3.584 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1=CCCC1 596699633 UMKBMSURZUGNSZ-UHFFFAOYSA-N 299.374 3.577 30 20 CHED N#C[C@H]1CCC[C@@H]1NCCc1cccc(C(F)(F)F)c1 600143337 ASLPRCAWRRHVON-OCCSQVGLSA-N 282.309 3.530 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)C[C@H](C)C1CCCCC1 600476588 PTXWMWIDEFFNJR-XJKSGUPXSA-N 264.413 3.601 30 20 CHED COc1ccc(-c2ncc(C(C)C)s2)cc1C#N 600788448 LRVHYRNBJYVYEM-UHFFFAOYSA-N 258.346 3.814 30 20 CHED COc1ccc(-c2cccc([C@H]3CCCN3)c2)c(C#N)c1 600789601 GMTMBMFVNRNOLW-GOSISDBHSA-N 278.355 3.658 30 20 CHED COc1cc2c(cc1OC)[C@@H](Nc1cccc(C#N)c1)CC2 600850003 STYMKICGNBFDLM-INIZCTEOSA-N 294.354 3.675 30 20 CHED C[C@@H](CCC#N)CN1CCC(COc2ccccc2)CC1 602446865 BZZSCGOGFOYEGG-INIZCTEOSA-N 286.419 3.717 30 20 CHED CCSc1ccc([C@H](C)NCc2cccc(C#N)n2)cc1 602539115 CVTYGVFCDQEUSW-ZDUSSCGKSA-N 297.427 3.916 30 20 CHED C[C@H](CCC#N)CN(Cc1ccc(O)cc1)CC1CC1 602657865 STWGFRRWAUGHLT-CQSZACIVSA-N 272.392 3.544 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)Oc1ccccc1 606816753 LIMPSWRJEAWBKD-HNNXBMFYSA-N 275.392 3.659 30 20 CHED CC(C)c1ccc(CN2CCO[C@@H](C#N)C2)c(C(C)C)c1 609280643 IOKDWHQSZAALIH-KRWDZBQOSA-N 286.419 3.658 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1ncc(C#N)cc1Cl 610280160 CUVQSXFMMZDOCD-HOCLYGCPSA-N 283.762 3.749 30 20 CHED N#CC1(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1 611491965 LGECBOYKXUETEH-UHFFFAOYSA-N 297.305 3.978 30 20 CHED C[C@@H](CC(=O)N1CCC[C@@](C)(C#N)C1)C1CCCCC1 612243032 OFEDZQCYNKVHBD-YOEHRIQHSA-N 276.424 3.745 30 20 CHED CC[C@@H](C#N)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 614800082 WOVVGXCPZURMLB-QMMMGPOBSA-N 285.294 3.976 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccco3)C2)c(Cl)c1 615224787 GCJMNHXLTGUIMY-AWEZNQCLSA-N 286.762 3.794 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(F)cc(C)cc1F 615287191 XEIRGGCJPLGTFT-UHFFFAOYSA-N 267.319 3.605 30 20 CHED C=CCC1(NC(=O)c2ccc3c(c2)CCOC3)CCCCC1 615962042 WFDSDIZRTDIHCD-UHFFFAOYSA-N 299.414 3.768 30 20 CHED Cc1ccnc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1 616750742 QJKKXGBCNCEABU-UHFFFAOYSA-N 293.414 3.920 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)C1 617782073 XXRQMYIAWCHQSO-BRWVUGGUSA-N 293.451 3.642 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC/C=C\c1ccc(F)cc1 618742274 VRMDLMOUZZNKNX-COLJXDCZSA-N 292.357 3.988 30 20 CHED Cc1ncc([C@H](C)NCc2ccc(C#N)c(Cl)c2)s1 619755268 VCVVXBPFLSZQBV-VIFPVBQESA-N 291.807 3.827 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](CC)Nc1ccccc1 620861361 MYUCTBDEQRAYQC-HNNXBMFYSA-N 274.408 3.738 30 20 CHED FC(F)C(F)(F)CNCc1ccsc1C(F)(F)F 623531437 AEPQEHOCPNWQIM-UHFFFAOYSA-N 295.223 3.757 30 20 CHED C=CCCCCNC1CCN(c2ccccc2OC)CC1 631113536 HVVYJJVPJVEOFY-UHFFFAOYSA-N 288.435 3.610 30 20 CHED C=CCN(Cc1cc(C)nc2ccccc12)[C@@H](C)COC 661243635 LIDXPBBCMFNIMY-HNNXBMFYSA-N 284.403 3.566 30 20 CHED C=CC[C@H]1CCCN(C(=O)NC[C@@H](C)CC(F)(F)F)C1 661322067 OXBKBARUYSPRRZ-RYUDHWBXSA-N 292.345 3.573 30 20 CHED CCC#C[C@@H](C)N[C@@H](C)c1nc(C2CCCCC2)no1 680426387 KNHAXISKPQZMEG-OLZOCXBDSA-N 275.396 3.570 30 20 CHED C#CCOc1ccccc1CNC1CCC2(CC1)CC2 695736020 FHKUXVNYDHIBGL-UHFFFAOYSA-N 269.388 3.511 30 20 CHED C#CC(C)(C)NC(=O)c1cc2c(s1)CCCCCC2 700581194 ZJXQHIZUKSZQIB-UHFFFAOYSA-N 275.417 3.549 30 20 CHED C#Cc1cccc(NC(=S)NC2CCCCCC2)c1 726436400 QOMLZJJAFFQTRW-UHFFFAOYSA-N 272.417 3.677 30 20 CHED COc1cccc(/C=C2/CCc3sccc3C2=O)c1 726890165 DQOCHDHIWQZMDE-XFXZXTDPSA-N 270.353 3.969 30 20 CHED C=CCN(CC=C)C(=O)/C=C(/C)c1ccccc1Cl 727302209 OVOKFDHCKZXSHP-SEYXRHQNSA-N 275.779 3.944 30 20 CHED CC(=NNC1CCCC1)c1ccc(F)c(Br)c1 727651926 DMIFIAADGXCWNY-UHFFFAOYSA-N 299.187 3.844 30 20 CHED C[C@H]1CCCC1=NNc1ncnc2sc3c(c12)CCC3 729140869 POVXENNCNCOLRN-VIFPVBQESA-N 286.404 3.768 30 20 CHED C[C@@H]1CCCC1=NNc1ccc(OC(F)F)cc1 729145518 TWICPOMGXGKOIY-SECBINFHSA-N 254.280 3.876 30 20 CHED CC(=NNc1cncc(Cl)n1)c1cc(C)cc(C)c1 730433403 MAEXFDQIFLYCIF-UHFFFAOYSA-N 274.755 3.583 30 20 CHED Fc1cccc(C=NNc2cccc3cnccc23)c1F 730732210 GHTZSPDZJMSKHM-UHFFFAOYSA-N 283.281 3.959 30 20 CHED CN(CCC#N)c1ccc(CN[C@H]2CC[C@H](C)CC2)cc1 731041535 FTRMOLWYIMOOJS-JCNLHEQBSA-N 285.435 3.705 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNCc2ccccc2)o1 732764413 FFETYGWSDGIVSO-WFASDCNBSA-N 254.333 3.527 30 20 CHED Cc1noc(C)c1[C@@H](C)/N=C\c1cc2ccccc2nc1O 733750275 RRFIRMKSDQWKDZ-PQQLAPNWSA-N 295.342 3.725 30 20 CHED CCc1ccc(CCOC(=O)c2cccc(CC#N)c2)cc1 734290589 OHRHAUGUFFYQNA-UHFFFAOYSA-N 293.366 3.715 30 20 CHED C=CC[C@H](NC(=O)c1cc(C)ccc1F)c1ccncc1 734457543 LIWHHYAHIGIQRT-INIZCTEOSA-N 284.334 3.576 30 20 CHED C[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)(C)C 734527108 XOEYKCOELKMOJF-CHWSQXEVSA-N 287.407 3.601 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1cccc(Br)c1 734985873 HQGKPLXSOVPHRW-SECBINFHSA-N 299.237 3.700 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1cccc2ccccc12 737029553 DPMVGLRFQOUJBP-GFCCVEGCSA-N 288.778 3.953 30 20 CHED CCCCCCCCN(C)CC(=O)Nc1cc(C)ccn1 740876384 SNHLKHCKRGLOTH-UHFFFAOYSA-N 291.439 3.621 30 20 CHED CCCCCCCCN1CCCC[C@@H]1CN1CCCC1=O 740877201 GKJBFBFQSMDNKI-QGZVFWFLSA-N 294.483 3.824 30 20 CHED Fc1ccccc1NN=Cc1ccc(OCC(F)F)cc1 741806837 QXUDQKCUHABRTQ-UHFFFAOYSA-N 294.276 3.916 30 20 CHED C=CCCCCCN(C)c1ccc(-c2nc(C)no2)cn1 742409112 RGYUEJIKNNGIPG-UHFFFAOYSA-N 286.379 3.623 30 20 CHED CCC(CC)(C/N=C/c1cccc(OC)c1O)SC 743044009 CMMUIRMWBQVISL-MHWRWJLKSA-N 281.421 3.742 30 20 CHED CCc1ccccc1NN=C1[C@H]2CCCO[C@H]2C1(C)C 743439039 ZTJZELRZWGWVGM-CZUORRHYSA-N 272.392 3.852 30 20 CHED N#C[C@@H](C(=O)CC1CCC1)c1ccc2ccccc2n1 744015480 SLKSIBOATYTBOR-CQSZACIVSA-N 264.328 3.601 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1nc2ccccc2o1)C(C)(C)C 744041187 SJDJRNXVGLWPNV-LMMOQWNQSA-N 282.343 3.996 30 20 CHED C=C(C)CCOC(=O)c1cccc2c(C)c(C)[nH]c12 744304686 XJVKUJOFHGNHJJ-UHFFFAOYSA-N 257.333 3.908 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CC)C(C)(C)c1ccccc1 745838107 KFLMIBWPTRVSNZ-AWEZNQCLSA-N 294.826 3.795 30 20 CHED CCCOc1ccc(C(C)=NOCc2cccnc2)cc1 746576824 NKJMMLUXZAFOPM-UHFFFAOYSA-N 284.359 3.811 30 20 CHED C=CCCCC(=O)N(Cc1ccco1)Cc1ccccc1O 748322370 QXFJCJYYGUCZKF-UHFFFAOYSA-N 299.370 3.870 30 20 CHED N#Cc1ccc(/C=C2/Cc3c(F)ccc(F)c3C2=O)c(F)c1 749582229 LRXSDPAFZLHCCB-WDZFZDKYSA-N 299.251 3.798 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ncc(Cl)cc1Cl 751521147 JJRNHKPPQBABCU-VIFPVBQESA-N 288.178 3.603 30 20 CHED CC1(CC(=O)Oc2ccc(C#N)cc2)CCCCC1 752973829 JLOMNPZKZGHXFD-UHFFFAOYSA-N 257.333 3.824 30 20 CHED C#C[C@@H](CC)NC(=O)N(CC)[C@H](CC)c1ccccc1 753258290 ADUBBKRTYFRINU-JKSUJKDBSA-N 272.392 3.581 30 20 CHED C#CC[C@H](N[C@H]1CS[C@H](C(C)C)C1)c1ccccc1 754143045 HVHGMWAJYLCODK-IKGGRYGDSA-N 273.445 3.871 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1cc(F)cc(F)c1O 755598933 LXWBUFOAQDXCQW-UPHRSURJSA-N 296.219 3.845 30 20 CHED CCn1ccnc1C=NNc1ccc(Cl)c(Cl)c1 755632073 FAANZHMADBNWCT-UHFFFAOYSA-N 283.162 3.656 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)cc1 756268393 PMKXLTTVJDUALK-WEVVVXLNSA-N 265.287 3.902 30 20 CHED C#CCCCCNC(=O)Nc1ccc2c(cnn2C(C)C)c1 758606596 RNUUVKRBBGXTQF-UHFFFAOYSA-N 298.390 3.542 30 20 CHED FC(F)CON=Cc1cc(C(F)(F)F)ccc1Cl 758904931 VZRYSSLEHVVQJY-UHFFFAOYSA-N 287.615 3.974 30 20 CHED CCCCCCCCN1C(=O)[C@H](C)N(C2CCC2)C1=O 760924395 GKIQYPFRUNOOIB-ZDUSSCGKSA-N 280.412 3.552 30 20 CHED C=CCCC(=O)COC(=O)c1occc1-c1ccccc1 761367350 MRABHCMLUONCIB-UHFFFAOYSA-N 284.311 3.639 30 20 CHED CC(=NNc1cnn(C)c1)c1cc(Cl)ccc1Cl 761861043 UBAMWOHZRQHOSL-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C#CCOc1cc(F)ccc1NC/C(Cl)=C/Cl 763244205 MCDGIICKHKWEPC-CLFYSBASSA-N 274.122 3.569 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNCCc2ccccc2F)o1 764724294 VGJDAPFAVUVJCN-SWLSCSKDSA-N 286.350 3.708 30 20 CHED C=C(Cl)COC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 766781328 OKHOALCOQJGSKU-BDAKNGLRSA-N 290.668 3.503 30 20 CHED C[C@H](C(=O)OCc1ccccc1C(C)(C)C#N)c1ccco1 768026749 BYWDQCPWYNLIHJ-ZDUSSCGKSA-N 297.354 3.928 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C=C1CCC1 768039875 NVORNHIVSYCFDJ-UHFFFAOYSA-N 269.344 3.641 30 20 CHED N#CC1(COC(=O)c2cc3cc(Cl)ccc3[nH]2)CCC1 768098225 AIMGHXWYWCUSFF-UHFFFAOYSA-N 288.734 3.672 30 20 CHED C[C@H]1CCC[C@H](OCC(=O)OCCCCC(C)(C)C#N)C1 768693938 VXCBFCFOEPYDRK-GJZGRUSLSA-N 295.423 3.845 30 20 CHED CC(C)(C)CN(CCC#N)Cc1occc1Br 769334593 DRSAMIIRTXNVBQ-UHFFFAOYSA-N 299.212 3.804 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 773008951 IMSNSOJDHZEOHX-OAHLLOKOSA-N 286.419 3.514 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cccc(NCC(C)(C)C)c1C 774539950 IXMZILLVVAHGHW-CYBMUJFWSA-N 286.419 3.547 30 20 CHED N#Cc1cccc(COC(=O)c2cccc3cc[nH]c23)c1F 774960242 MNXJFDVXJFPYBX-UHFFFAOYSA-N 294.285 3.536 30 20 CHED CC[C@@](C)(NCCCSCC#N)c1ccccc1 775397946 ZADWTKPIKUWXQU-OAHLLOKOSA-N 262.422 3.548 30 20 CHED C#CC[C@H](NC[C@H](O)c1cccc(Cl)c1)c1ccccc1 775401536 UKAWWPBLASHFNP-ROUUACIJSA-N 299.801 3.728 30 20 CHED C=CCOc1ccccc1CNCc1ccc(Cl)cn1 776255470 YJRZYQWWHPCUCT-UHFFFAOYSA-N 288.778 3.590 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)cn1 776395729 MHJKCBFVBMHJLY-INIZCTEOSA-N 286.375 3.834 30 20 CHED CO[C@H]1CCCCC1=NNc1nc2ccccc2cc1C 776782249 GSGSHSQXLPCDHZ-INIZCTEOSA-N 283.375 3.900 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Cc1ccccc1CC#N 776979605 AYAUNSKADYCDLF-WMLDXEAASA-N 298.430 3.626 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCc2cc(F)ccc21 779863061 KIFRXRLWNLAFIU-INIZCTEOSA-N 273.351 3.513 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1nc2c(s1)CCC2 779988200 ASGKXEHNRLOQGA-NSHDSACASA-N 299.399 3.535 30 20 CHED C#CCCCCCC(=O)OCc1ccc(Cl)nc1C 780015919 ZXADVRKRKSSFPI-UHFFFAOYSA-N 279.767 3.670 30 20 CHED C=C(CC)COC(=O)[C@H](c1c(F)cccc1Cl)N(C)C 780114487 GQWWLNKCXCFLDJ-AWEZNQCLSA-N 299.773 3.591 30 20 CHED CC1(C)C[C@@H](NN=C2CC(C)(C)c3ccccc32)CCO1 780248273 ZJISJZXUJQRNSN-ZDUSSCGKSA-N 286.419 3.619 30 20 CHED C[C@@H](C=NNc1ccnc(F)c1)CCc1ccccc1 781127798 QIUSTERMDUROOT-CYBMUJFWSA-N 271.339 3.887 30 20 CHED C#CCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 781353327 ZWHGREBCNKXZMS-UHFFFAOYSA-N 266.171 3.716 30 20 CHED Cc1cc(C(=O)OCCCC(C)(C)C#N)sc1C 782990185 BJZFQEJTUZMYEN-UHFFFAOYSA-N 265.378 3.852 30 20 CHED Cc1ccc(NN=C2CCC(=O)Nc3ccccc32)cc1 783770752 CBENYVJKJQFCOJ-UHFFFAOYSA-N 279.343 3.544 30 20 CHED CC[C@@H]1CCC[C@@H](C=Nn2c(C)nc3ccccc3c2=O)C1 783789254 OSTFSYLCVAQKHC-HUUCEWRRSA-N 297.402 3.755 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ncnc2ccsc12 783854917 AVNVNPNXAALEIK-MNOVXSKESA-N 274.393 3.915 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cccc(C#N)c1F 783883213 IYTJRFULOUXBFX-GFCCVEGCSA-N 295.317 3.600 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(N(C)C)cc1 784117300 FTKDMYWTPCSNJR-UHFFFAOYSA-N 273.376 3.564 30 20 CHED C=CCCCCCOC(=O)C[C@@H](C)c1ccncc1 784234219 MIGTUGOWUOVIOS-CQSZACIVSA-N 261.365 3.865 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NNC1CCCCC1 786043768 WVIXWSOZQCACNZ-UHFFFAOYSA-N 296.418 3.745 30 20 CHED C#CCOc1cccc(NC(=O)c2occc2C(C)C)c1 786117643 ONFVKYZCUIPGQC-UHFFFAOYSA-N 283.327 3.667 30 20 CHED C=C[C@@H]1CCCCN1Cc1cccc(Br)c1O 787311710 YHOGKNUJNYPJMZ-GFCCVEGCSA-N 296.208 3.695 30 20 CHED COC1(C=NNc2nc3ccccc3s2)CCCC1 790136636 PIRBSNGRTNZQSC-UHFFFAOYSA-N 275.377 3.653 30 20 CHED c1ccc2c(=NN=C3CCC4(CC3)CC4)cc[nH]c2c1 792633712 NQUMWESSRVVWMI-UHFFFAOYSA-N 265.360 3.779 30 20 CHED Fc1ccc2c(c1)C(=NNc1cccc(F)n1)CCS2 795009837 LUWWDYYULFKQED-UHFFFAOYSA-N 291.326 3.672 30 20 CHED COCCCON=Cc1ccc(-c2ccc(F)cc2)s1 795055269 JPVUHRDIFAKYDQ-UHFFFAOYSA-N 293.363 3.941 30 20 CHED Cc1nc2cc(C(=O)O[C@H](C#N)C3CCCCC3)ccc2o1 795680315 GEHWYMRDHOYXHB-MRXNPFEDSA-N 298.342 3.766 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)c1cc(C#N)oc1C 797887315 KHGZPMZRUKTMLC-NSHDSACASA-N 269.300 3.686 30 20 CHED Cc1cc(C(=O)/C=C/c2c(F)ccc(O)c2F)oc1C 799894634 ABIGCKZYQSWKIL-HWKANZROSA-N 278.254 3.776 30 20 CHED C=CCC[C@H](C(=O)O[C@@H]1CC[C@H](OC)C1)c1ccccc1 800031709 UFNLVVJDICVJTH-BBWFWOEESA-N 288.387 3.847 30 20 CHED COC(=O)c1cccc(NN=C2CCC[C@H]2CCCF)c1 800815626 HVRNTUDVAFBPIP-LBPRGKRZSA-N 292.354 3.791 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc2c(c1)OCO2 806082990 WURLZTWLPDFAKU-UHFFFAOYSA-N 290.363 3.673 30 20 CHED C#CCCc1noc([C@@H](C)Oc2cccc3ccccc23)n1 809397815 GCKRXRNNHHEFNG-CYBMUJFWSA-N 292.338 3.929 30 20 CHED C#Cc1ccc(CN[C@@H](C#C)c2ccc(Cl)cc2)cc1 811517693 ZXBFFEJTSIZUBX-SFHVURJKSA-N 279.770 3.785 30 20 CHED C=CCCCCCCCNC(=O)[C@H](C)c1c(C)n[nH]c1C 811591028 WZKXRQHYZJWDKH-CYBMUJFWSA-N 291.439 3.773 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc3[nH]ccc3c2)cc1 811629225 VLEBDLJHNBCRPY-UHFFFAOYSA-N 280.287 3.522 30 20 CHED C/C(C=NOCC(F)F)=C/c1ccccc1OC(F)F 811647470 OAJKAHJQYXGAHM-GBDNMZEOSA-N 291.244 3.959 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCCC1(C)C 811665294 NIGTXVACTKJOCM-ZDUSSCGKSA-N 260.381 3.610 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)c(Cl)c1)C2 811692562 BXRPLWGADKOGAI-ACAGNQJTSA-N 295.725 3.740 30 20 CHED C/C=C(\CC)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813217797 PDOIQFAGQQUNQP-BWLWAFFFSA-N 282.265 3.633 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1c[nH]c2cc(C)ccc12 814421507 KNVWWVAULHJOSV-UHFFFAOYSA-N 284.403 3.737 30 20 CHED CSCc1cnc(C=NNc2ccc(F)cc2F)s1 814686472 IIROBQRFGNLBFY-UHFFFAOYSA-N 299.371 3.730 30 20 CHED CC1(CNN=Cc2cccc(O)c2Cl)CCCC1 814937562 LCLYLIGFTCXATD-UHFFFAOYSA-N 266.772 3.549 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(Cl)c(N)c1 814939159 GTGKDGXOMLZNEA-SECBINFHSA-N 254.761 3.709 30 20 CHED CC(C)(C#N)CCCOC(=O)CC(C)(C)C1CC1 815468627 DLTMMDLNTKXUEP-UHFFFAOYSA-N 251.370 3.686 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C)c(-c2ncco2)c1 815824833 WBFIRGMRFVHJOC-UHFFFAOYSA-N 292.285 3.800 30 20 CHED N#C[C@H](C(=O)[C@H]1CC2CCC1CC2)c1nc2ccccc2[nH]1 815897760 GQKIZBOIIBZQGT-CLRIEMFWSA-N 293.370 3.565 30 20 CHED Cc1ccc2snc(C(=O)O[C@H](C#N)C(C)(C)C)c2c1 816013482 PYKPSCWLHIRLNY-GFCCVEGCSA-N 288.372 3.700 30 20 CHED C=CCC[C@H](C(=O)OCC[C@@H]1CCOC1)c1ccccc1 816444157 FCRKHOBSJIMCRY-RDJZCZTQSA-N 288.387 3.706 30 20 CHED CC(C)Oc1c(F)cc(NC[C@@H](C#N)CCC#N)cc1F 819470716 WGGXKGURNICGBQ-LLVKDONJSA-N 293.317 3.607 30 20 CHED Cc1cccc2c(C(=O)O[C@H](C#N)C(C)(C)C)coc12 820578926 WBFPPNGJTAENMM-CYBMUJFWSA-N 271.316 3.836 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(C)c1ccc(C(C)(C)C)cc1 822697856 VUDYOEVFUVCBQR-CVEARBPZSA-N 287.403 3.538 30 20 CHED C#Cc1cccc(CNCc2cccc(OCCC)c2)c1 825226509 HNPGNPKHPMAXAU-UHFFFAOYSA-N 279.383 3.747 30 20 CHED C=CC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccncc1 827862612 LEXPXZHYHRSMCD-MRXNPFEDSA-N 297.402 3.679 30 20 CHED N#Cc1c(Cl)cccc1N1CC[C@@H](c2ccccn2)C1 828081312 UDFHRPDFQOPPSY-GFCCVEGCSA-N 283.762 3.601 30 20 CHED C[C@@]1(CNc2c(F)cc(C#N)cc2F)CC1(Cl)Cl 828791017 ODTQYDFGAYTUFS-NSHDSACASA-N 291.128 3.832 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 835037188 PDODLSVBOBVKHE-MGPQQGTHSA-N 295.386 3.956 30 20 CHED C#CC[C@H](OC(=O)C[C@]1(C)CC1(Cl)Cl)C(C)C 835200836 PWAZLMDNYBBCPV-CMPLNLGQSA-N 277.191 3.552 30 20 CHED CCC(CC)Oc1ccc(C(=O)OC[C@@H](C)C#N)cc1 835239298 YAYZEIIHINCSEW-LBPRGKRZSA-N 275.348 3.570 30 20 CHED N#Cc1cc(F)ccc1NC(=O)N1CCCCCCCC1 836452487 FZCZGZHMZIVOJK-UHFFFAOYSA-N 289.354 3.885 30 20 CHED O=C(C#CC1CC1)Nc1ccccc1SC(F)(F)F 837384562 UTOQTBRPGXAVKG-UHFFFAOYSA-N 285.290 3.650 30 20 CHED C#CCCCCNC(=O)NC1(C(C)(C)c2ccccc2)CC1 838517950 YTUYUWHHIMNZKV-UHFFFAOYSA-N 298.430 3.600 30 20 CHED Cc1nn(-c2ccccc2)c(Cl)c1CSCCC#N 840211828 FANNYYLVCDQIST-UHFFFAOYSA-N 291.807 3.981 30 20 CHED N#CC1(CCOC(=O)c2nc(Cl)cs2)CCCCC1 840533434 KGUAUZLTNOZKSF-UHFFFAOYSA-N 298.795 3.817 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1coc(C(C)(C)C)n1 841229105 UURCAQYPIIOCNO-OAHLLOKOSA-N 265.353 3.618 30 20 CHED CCC(=CC(=O)Nc1cc(C)c(N(C)C)cc1C#N)CC 841238053 ASISRNBMUHSOTL-UHFFFAOYSA-N 285.391 3.618 30 20 CHED COc1ccc(Br)c(NN=C[C@@H]2C[C@@H]2C)c1 841658303 WGXGOGSKTBQDRD-IUCAKERBSA-N 283.169 3.511 30 20 CHED C#CC[C@@H](NC(=O)/C=C/C1CCCC1)c1ccccc1 843572672 XBLIIYVZCXAGEN-TUQDCPSNSA-N 267.372 3.614 30 20 CHED C=C[C@@H](C)ON=C[C@H](C)Cc1ccc(OC)c(F)c1 844622112 USKMXQLJPOBFPT-VXGBXAGGSA-N 265.328 3.590 30 20 CHED N#CCOc1cccc(NCc2cccc3c2CCC3)c1 845951317 CYKVOGGVBVZTKK-UHFFFAOYSA-N 278.355 3.690 30 20 CHED C[C@H](OC(=O)c1ccccc1CC#N)c1ccc(F)cc1 849211201 MGTIMVZWCGWKMG-LBPRGKRZSA-N 283.302 3.810 30 20 CHED C=C[C@H](OC(=O)c1ccnn1C(C)C)c1ccccc1 851452256 PTNFETGQLQFJHG-HNNXBMFYSA-N 270.332 3.548 30 20 CHED CCCCCCCN[C@H](c1cccnc1)C(C)(C)CO 852092121 NQXFNNTWLMNKRS-MRXNPFEDSA-N 278.440 3.701 30 20 CHED FC(F)(F)c1cccnc1NN=C[C@@H]1CC1(Cl)Cl 853289725 NDJJPBXMVLCPLQ-LURJTMIESA-N 298.095 3.692 30 20 CHED Fc1cccc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)c1OC(F)F 853328112 MZQUJCURGMSPOU-OUJBWJOFSA-N 298.308 3.539 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccc(Cl)cn2)CS1 853435172 MOLSFKBRCJCPRR-NSHDSACASA-N 269.801 3.664 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc2c(C)cccc2[nH]1 860588054 SGBMDMHQQWGBCJ-UHFFFAOYSA-N 284.359 3.850 30 20 CHED C#C[C@H](OC(=O)CC1CC(F)(F)C1)c1ccc(C)cc1 860963029 NRIBYKVJMQIWQN-AWEZNQCLSA-N 278.298 3.648 30 20 CHED CC(C)(C)c1cn(Cc2ccc(Cl)cc2C#N)cn1 865376133 AMLZEOLLQNWFSY-UHFFFAOYSA-N 273.767 3.754 30 20 CHED CC(C)(CC(=O)N[C@H](C#N)C(C)(C)C)c1ccc(F)cc1 866385565 NRUMJMGCVCFMQN-CQSZACIVSA-N 290.382 3.548 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H]1CSc2ccccc21 880155222 SALPAWFVAYUSGA-LBPRGKRZSA-N 275.417 3.594 30 20 CHED Cc1csc(NC(=O)N(CC(F)F)C2CCC2)c1C#N 888140442 NYUZNVQIMOWLQZ-UHFFFAOYSA-N 299.346 3.580 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCOc3ccc(F)cc32)CC1 888893401 CQPMUKFQCQFIHD-OAHLLOKOSA-N 289.350 3.512 30 20 CHED N#C[C@H]1CCCN(c2ccc3cc(F)cc(Cl)c3n2)C1 895648770 REPQWQNKHVQPRA-SNVBAGLBSA-N 289.741 3.767 30 20 CHED COc1ccc2ccccc2c1CCNC[C@@H](C)CCC#N 896814513 RSSUSTZJHWPULV-HNNXBMFYSA-N 296.414 3.920 30 20 CHED CCc1onc(C)c1C=NNc1ccc(OC(F)F)cc1 901181799 GECIWTCOWSPKQP-UHFFFAOYSA-N 295.289 3.593 30 20 CHED C=CCn1c(C)nnc1SCCCCC1(C#N)CCC1 901392514 AXNAMEXZQSDIEU-UHFFFAOYSA-N 290.436 3.729 30 20 CHED N#Cc1ccnc(CSCCCc2ccsc2)c1 901778358 APAIGKCFAUGUGG-UHFFFAOYSA-N 274.414 3.881 30 20 CHED C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(C#N)cc1F 903427130 DZTNZXMNAIFMPH-KPZWWZAWSA-N 295.361 3.894 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(C#N)cc1OC)[C@@H](C)CC 904247046 YBVCXOCTYRRWJI-STQMWFEESA-N 288.391 3.606 30 20 CHED Cc1cc(C)c(/C=C/C=C2/C(=O)c3ncnn3[C@H]2C)c(C)c1 905083820 FTAGJZQHIDWBMS-SIHTYFDNSA-N 293.370 3.600 30 20 CHED Cc1nc(C(=O)OCCCCC2(C#N)CCC2)sc1C 909241962 PHOFHRSNQHNHHI-UHFFFAOYSA-N 292.404 3.781 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(Br)c1F 912537468 GBFUEAOFXLGEKJ-UHFFFAOYSA-N 298.155 3.576 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1CCCc2ccccc21 912962681 YNQCABXORQYOIF-SJPXOZHESA-N 265.356 3.931 30 20 CHED Cc1c(C#N)c(SC/C=C/Cl)nc2c1CCC2 913596975 DTHLXSLMLDFTBI-ZZXKWVIFSA-N 264.781 3.595 30 20 CHED CC(=NNC(=S)Nc1c(C)cccc1C)C(C)C 915912180 QAMHDKUVOKMLIK-UHFFFAOYSA-N 263.410 3.622 30 20 CHED COc1ccc(CC(C)=NNc2ccccc2)cc1OC 916245831 DUSBNLJVACHDSW-UHFFFAOYSA-N 284.359 3.734 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1nccs1 918134771 DJBVRCUXDIFTMM-CYBMUJFWSA-N 297.468 3.939 30 20 CHED Cc1ccc(-c2nc(C=NNc3ccccn3)cs2)cc1 918709703 SCZDAZOLPLQBOX-UHFFFAOYSA-N 294.383 3.960 30 20 CHED C#CCN(CC)C(=O)Nc1nc(C)c(-c2ccccc2)s1 920940651 KXISSCHIHJDCSK-UHFFFAOYSA-N 299.399 3.606 30 20 CHED CCN(CC)c1ccc(/C=N/C2CCCC2)c(O)c1 920942412 CDCKPFZNJISKPH-SFQUDFHCSA-N 260.381 3.600 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1cccnc1 921137528 BDAWYPPRZGCAOC-UHFFFAOYSA-N 263.703 3.710 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(C)cc(C)c1)CO2 921265627 NUODUDWMBRCZEP-OQLLNIDSSA-N 294.350 3.971 30 20 CHED C#CCCCCc1nc(-c2ncccc2SCC)no1 924418479 JHSAXFPWYIFEEP-UHFFFAOYSA-N 287.388 3.590 30 20 CHED C=CCC1(CN[C@H](C)[C@H]2C[C@H]3CC[C@H]2O3)CCCC1 926540816 MPPGRPDDCQIKAV-KLHDSHLOSA-N 263.425 3.669 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)Cc1ccccn1 926591367 KDAVUBCBADCORM-VQIMIIECSA-N 280.415 3.790 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cc2ccccc2[nH]1 926623197 BWUHGGVWGCUVJM-LBPRGKRZSA-N 253.349 3.512 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(F)cc1OC(F)F 933622558 GPZHZGDLEFQPKV-SECBINFHSA-N 287.281 3.968 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(Oc2ccccc2)CC1 1120570383 GHWJKPXESNJROQ-HNNXBMFYSA-N 287.403 3.659 30 20 CHED C=C(C)CCC(=O)Nc1c(C(C)C)nc2ccccn12 1120702930 XBPPFTGNQDCYTR-UHFFFAOYSA-N 271.364 3.753 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc(-c3ccco3)s2)C1 1122716843 AESYMLJDIBQLAG-QWRGUYRKSA-N 287.340 3.857 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1OC 1123317524 KCUCQGYLDGHAAI-AWEZNQCLSA-N 299.374 3.529 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1-c1nccs1 1124043140 BUTHRLRIENAWOY-UHFFFAOYSA-N 284.384 3.798 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C)c(C#N)c1 1127096652 PQDFKWQXPSSFFD-RHSMWYFYSA-N 284.403 3.908 30 20 CHED CCCC1(CNc2ncc(C#N)cc2Br)CC1 1162791405 CHWRGDWIAOJRFU-UHFFFAOYSA-N 294.196 3.708 30 20 CHED COc1cccc(OC)c1SCc1ccc(C#N)s1 1165984760 JFIUKVHHCUQYAW-UHFFFAOYSA-N 291.397 3.929 30 20 CHED COc1ccccc1C1(N[C@@H]2CCC[C@@H](C#N)C2)CCC1 1256035833 UEJKHXJSOCRIQC-HUUCEWRRSA-N 284.403 3.746 30 20 CHED C=CCC(C)(C)c1nnc(-c2ccc(OC)c(OC)c2)o1 1261571994 VOGPLLFDHPKXQE-UHFFFAOYSA-N 288.347 3.608 30 20 CHED COc1cccc2cc(CN[C@H](C)CC(C)(C)C#N)oc12 1262354065 XNZVJXHGRLBRRC-GFCCVEGCSA-N 286.375 3.859 30 20 CHED C[C@@H](OC(=O)CC#Cc1ccccc1)c1ccccc1F 1319137318 PTKYFESFJXYSPX-CQSZACIVSA-N 282.314 3.872 30 20 CHED C#CCN(CC1CC1)C(=O)c1oc2c(C)ccc(C)c2c1C 1319666375 GFYQKCJXRSZWOT-UHFFFAOYSA-N 295.382 3.843 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1ccc(C)cc1OC 1321458542 HJUNGLJPZGQZEF-TWGQIWQCSA-N 298.338 3.614 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)Cc1ccccc1F 1322572166 VRQJTNTVSAIWRW-CQSZACIVSA-N 278.371 3.712 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)NCC1(CC#N)CC1 1325058679 SABBERCCIPCKMT-UHFFFAOYSA-N 291.782 3.772 30 20 CHED N#Cc1cc(C(=O)N(c2ccccn2)C2CCCC2)cs1 1325731087 CIIWMUVJLIVVFZ-UHFFFAOYSA-N 297.383 3.604 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Br)c(O)c1 1325890640 JCVAZRXJPGNAQW-UHFFFAOYSA-N 298.180 3.696 30 20 CHED CN(C(=O)CC#Cc1ccccc1)c1ccc2cc[nH]c2c1 1331153978 RRYIYHXSZXOFBL-UHFFFAOYSA-N 288.350 3.573 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](C3CCCC3)C2)CC1 1333316644 OVNDHSOQGISVKB-MRXNPFEDSA-N 261.409 3.772 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC)c(Cl)c1 1336425861 IEYLZXGRZFRMGZ-UHFFFAOYSA-N 253.729 3.643 30 20 CHED Cc1ccc([C@@H](C)N(C)c2cccc(CC#N)n2)cc1 1338233788 UOCMYAJTRRNZRB-CQSZACIVSA-N 265.360 3.654 30 20 CHED C=C(C)Cn1c(N2CCCC[C@H](C)C2)nnc1C(C)(F)F 1341708974 QCEMWYJFEQYXAJ-LBPRGKRZSA-N 298.381 3.592 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1)C1CC1 1345672845 BVCFBLNOTZWVHL-DVBBHNHCSA-N 299.761 3.749 30 20 CHED CC(C)(c1cc(F)cc(C#N)c1)c1nnc(C2CCC2)o1 1346674066 HDPDRLYWXNGFDK-UHFFFAOYSA-N 285.322 3.674 30 20 CHED C[C@@H](NC(=O)C12CCC(CC1)CC2)c1cccc(C#N)c1 1347227965 ZNDSHHLAECNITC-WRSVWVKZSA-N 282.387 3.706 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 1355225688 NAZTZCXMAILFDC-ABAIWWIYSA-N 288.366 3.642 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1ccc(C#N)cc1F 1355514705 JCZOMSVGQWKNAH-UHFFFAOYSA-N 296.345 3.668 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)OCc1cc(C#N)ccc1F 1435411806 COYFKRZIXLSINK-TZMCWYRMSA-N 275.323 3.567 30 20 CHED C[C@@H](OC(=O)c1nccc2occc12)c1cccc(C#N)c1 1457762848 QZMHDRWZGFCXDV-LLVKDONJSA-N 292.294 3.617 30 20 CHED Cc1ccc(CN(C)c2cc(C)c(C#N)cn2)cc1C 1458433820 WOXDXAIUGCEGIX-UHFFFAOYSA-N 265.360 3.515 30 20 CHED N#Cc1cccnc1NCC1(c2c(F)cccc2F)CCC1 1458436584 ZLRRHJMJIGOEKY-UHFFFAOYSA-N 299.324 3.765 30 20 CHED CCC(CC)CN(CCC#N)CCN1CCc2ccccc21 1459606758 HFFFKWHBENMNBX-UHFFFAOYSA-N 299.462 3.701 30 20 CHED CC[C@@H]1CCC[C@H]1CNc1ccc(Cl)c(C#N)n1 1472786761 RGQWQZMYWUVKNA-MNOVXSKESA-N 263.772 3.845 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nccn2-c2cccc(F)c2)C1 1472947778 PIHIBCDXDFCRQY-BXUZGUMPSA-N 287.363 3.796 30 20 CHED COc1ccc(CNc2cc(C)cc(C#N)c2)c(C)c1 1474178166 BUCALIZLKUWWRQ-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)CC[C@H](C)c1ccccc1 1526586779 CZDNIBNHLMEYNR-HOCLYGCPSA-N 295.386 3.663 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(F)cc1C#N 1532255616 FNBSEQJRAVPSIL-CYBMUJFWSA-N 296.345 3.823 30 20 CHED Cc1cccc(CC2CN(Cc3ccc(C#N)cc3F)C2)c1 1560943340 NXKWIDHTRWJKAM-UHFFFAOYSA-N 294.373 3.680 30 20 CHED C=CC[C@@H]1N(C[C@H]2CCCC[C@@H]2C(=O)O)CCCC1(C)C 1588773867 LQJBIKCAWJYIFH-PMPSAXMXSA-N 293.451 3.944 30 20 CHED N#Cc1ccccc1-c1ccc(CSCC(=O)O)cc1 1594628796 PSFUVHQJSJAAHA-UHFFFAOYSA-N 283.352 3.543 30 20 CHED C=CCc1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 1602926620 BLMVSENVOODXLP-UHFFFAOYSA-N 298.338 3.701 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)Nc2sccc2C#N)C1 1626074795 ZCVQPZIGZONROM-QWRGUYRKSA-N 277.393 3.568 30 20 CHED Cc1cc2cc(CNc3cc(C)c(C#N)cn3)ccc2[nH]1 1642666733 SRWRFUVNNARFIZ-UHFFFAOYSA-N 276.343 3.664 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1645111186 MJVIJNNFEKYVLT-NWDGAFQWSA-N 270.376 3.960 30 20 CHED CCc1nc(C#N)cc(N2CC[C@H](C(C)(C)C)C[C@H]2C)n1 1651906504 HOHLXYFPBUUALU-OLZOCXBDSA-N 286.423 3.562 30 20 CHED Cc1cc(SCC(=O)Nc2ccccc2C)ccc1C#N 1652058909 YJKATZMSWFSGOO-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CC[C@H](Nc1cccc(F)c1C#N)[C@H](O)c1ccccc1 1652204621 RHHNQWMYYOYUAZ-DOTOQJQBSA-N 284.334 3.621 30 20 CHED Cc1[nH]nc(NCc2ccc(SC(F)F)cc2)c1C#N 1657496709 XEAMMOODNJFVKH-UHFFFAOYSA-N 294.330 3.517 30 20 CHED C[C@H](NC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1 1671449200 BIYDXEZIJZQMOZ-RYUDHWBXSA-N 299.399 3.933 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)[C@H]1CCCC[C@H]1C 1776037164 DMVXTOLMTCDFJG-ABAIWWIYSA-N 274.364 3.999 30 20 CHED Cc1cc(Cl)ccc1OC(=O)c1ccc(C#N)cc1 5462628 AQXLWDQXECHAIC-UHFFFAOYSA-N 271.703 3.739 30 20 CHED Cc1c(Cl)cccc1N/C(S)=N/Cc1cccn1C 8683063 YXBWIGKJSWRGRW-UHFFFAOYSA-N 293.823 3.885 30 20 CHED C[C@H]1CCCCC1=NNC(=S)Nc1ccccc1 13136342 MQUIDKFTZLXHED-NSHDSACASA-N 261.394 3.539 30 20 CHED CCOc1cccc(/C=N/Cc2ccccc2COC)c1O 26432130 HDPHNWOVKNPYMV-XDHOZWIPSA-N 299.370 3.556 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2cccc(CC#N)c2)cc1 42349409 AWTZJDUOYFCJSX-AWEZNQCLSA-N 292.382 3.806 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1ccc(Cl)s1 44766310 RYWBYSQFDXMWCA-UHFFFAOYSA-N 284.812 3.690 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccccc1F 45158946 JPOJEWNNAWQTFD-UHFFFAOYSA-N 271.291 3.643 30 20 CHED CCC(CC)CN(CC)CCOc1ccc(C#N)cc1 48335128 BNAVXZDCLPZRNE-UHFFFAOYSA-N 274.408 3.695 30 20 CHED Cc1cccc(/C=C2/COc3c(C)cccc3C2=O)c1 48985584 ZPUSVCXFLXVXJH-GDNBJRDFSA-N 264.324 3.962 30 20 CHED C=CCOc1ccc(C(=O)N(CCC)CCC)cc1OC 55527259 WXQYABSDVGLAPJ-UHFFFAOYSA-N 291.391 3.522 30 20 CHED C[C@H](NC(=O)NC[C@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 56817827 NJOKRVURJXWJPW-YCPHGPKFSA-N 299.418 3.745 30 20 CHED C[C@H](OCCCNCc1ccc(C#N)cc1)c1ccccc1 57626205 CWTOUPFUAKUUJB-INIZCTEOSA-N 294.398 3.816 30 20 CHED Cc1cc(Oc2cccc(F)c2C#N)ccc1[N+](=O)[O-] 60991877 TZWVJUYNBIEJQN-UHFFFAOYSA-N 272.235 3.706 30 20 CHED N#Cc1ccc(N2CCCc3ccccc3C2)c(F)c1 62946024 GKAUIURJMVMVNN-UHFFFAOYSA-N 266.319 3.650 30 20 CHED CCC1(CC)CCN(C(=O)c2cccc(C#N)c2)CC1 62959320 YLTVRIMBQAPWJV-UHFFFAOYSA-N 270.376 3.601 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)NCCC(C)(C)C 63402515 XYQHXORBQGWNAR-UHFFFAOYSA-N 299.418 3.692 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCCC(C)(C)C 65989189 GVMCOUGFTHFLLF-UHFFFAOYSA-N 288.435 3.863 30 20 CHED Cc1ccc(C(=O)[C@@H](C)Sc2cc(C#N)ccn2)cc1C 71918329 IKUATDJPBXLOMN-CYBMUJFWSA-N 296.395 3.934 30 20 CHED C=CCOC(=O)c1csc(-c2ccc(Cl)cc2)n1 73413091 OLSNKZHVPJICQW-UHFFFAOYSA-N 279.748 3.806 30 20 CHED C=CCn1c(SCc2ccon2)nc2ccccc21 73968984 XQUUTSPZZDSGDF-UHFFFAOYSA-N 271.345 3.503 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(CC#N)c1ccccc1 74533914 ISJPYVDQTLIXPV-CQSZACIVSA-N 270.376 3.760 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@H](C)c1cccc(C#N)c1 75275392 OBFXQIGUGXKOAX-ZIAGYGMSSA-N 272.392 3.808 30 20 CHED C[C@H](NC(=O)[C@H](C)c1cccs1)c1ccc(C#N)cc1 78058535 KFVBXPUNGOPAIL-NEPJUHHUSA-N 284.384 3.601 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCC2)cc1C(F)(F)F 83795089 REDHQOWUJFAREH-UHFFFAOYSA-N 282.265 3.646 30 20 CHED CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@@H](C)C#N 84907683 SVTXXYXNMBJPFB-JTQLQIEISA-N 293.798 3.746 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)CCCc1ccc(Cl)cc1 85432138 XVQADVWPNVDCSZ-AWEZNQCLSA-N 292.810 3.717 30 20 CHED C=CCC[C@@H](NC[C@H](C)c1c(C)noc1C)C1CC1 90762807 GNIAHEQUSAAWPY-XHDPSFHLSA-N 262.397 3.729 30 20 CHED C=CCCOCCN[C@H]1CCc2cc(Cl)ccc21 90883538 KEIADLZZOXQEIA-HNNXBMFYSA-N 265.784 3.510 30 20 CHED CCCN(CC#N)Cc1ccccc1OC1CCCC1 92398048 LMFZXDYSHVKVLJ-UHFFFAOYSA-N 272.392 3.744 30 20 CHED C[C@H]1CCC[C@H](CNCc2cccc(OCC#N)c2)C1 92565557 GPMKPMDMCXKWNX-GJZGRUSLSA-N 272.392 3.505 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)o2)c(OC)c1 98002042 UUBJJIKRXWYVEX-VURMDHGXSA-N 272.300 3.501 30 20 CHED C=C(C)CN1CCC(NCc2cc3ccccc3o2)CC1 106245794 NBCCSVKDDQORFD-UHFFFAOYSA-N 284.403 3.563 30 20 CHED CC(C)[C@H](CC(=O)Nc1ccc(C#N)cn1)c1ccccc1 110283966 WEGDIQJEFSGFBC-INIZCTEOSA-N 293.370 3.722 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)sc1C 112589727 KCXRQHZEPSVKQB-UHFFFAOYSA-N 274.320 3.628 30 20 CHED CCN(C(=O)CCC1CC1)[C@H](C)c1ccc(C#N)cc1 115021935 HHLDDAVGTLMHHH-CYBMUJFWSA-N 270.376 3.658 30 20 CHED C=CC[C@@H](C)NC(=O)C(C)(C)c1ccc(Cl)cc1 116860727 PBFPUMWAZHWXND-LLVKDONJSA-N 265.784 3.698 30 20 CHED Cc1nn(C)cc1/C=C1/C[C@H](C)c2ccccc2C1=O 121367765 IABNWJDBWFATDN-KWJWQAOWSA-N 266.344 3.502 30 20 CHED C[C@H]1CCCN1c1cc(C#N)ccc1C(F)(F)F 125983481 WMTFUXUFMDAJLF-VIFPVBQESA-N 254.255 3.566 30 20 CHED C[C@H](CC#N)N(C)Cc1ccccc1Oc1cccnc1 129604669 DZWNMZVOXLXVMZ-CQSZACIVSA-N 281.359 3.608 30 20 CHED C=C[C@H](CC(=O)NCc1cccc(C)c1)c1ccccc1 129639205 UQFRQDPUNCFNEK-QGZVFWFLSA-N 279.383 3.971 30 20 CHED O=C(/C=C/c1cncs1)c1ccc(Cl)c([N+](=O)[O-])c1 129881011 PFHNLKUIKPCTOU-DUXPYHPUSA-N 294.719 3.601 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1OC)c1cccs1 130279725 KDSVEYRRJDQHNR-CQSZACIVSA-N 286.400 3.869 30 20 CHED C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(C)(C)C#N 131046743 IWQLQDGGDPVVDB-LAHYYIKRSA-N 277.751 3.835 30 20 CHED CSCCCCC(=O)Nc1ccc(Cl)c(C#N)c1 132253571 NASZXEAQYKNIEP-UHFFFAOYSA-N 282.796 3.683 30 20 CHED CCCCCCC[S@](=O)Cc1ccccc1OC 132908522 BATTVDPGUQBAKS-GOSISDBHSA-N 268.422 3.914 30 20 CHED CC[C@@H](C#N)OC(=O)CCn1ccc2cc(Cl)ccc21 132925371 ZYGWUYCXMRCJLD-ZDUSSCGKSA-N 290.750 3.530 30 20 CHED C=C(C)CN1CCC(NCc2ccc(F)cc2Cl)CC1 136078763 VIAMKGMJVXWZRI-UHFFFAOYSA-N 296.817 3.609 30 20 CHED N#Cc1cccc(NC(=O)c2cc3cccc(F)c3o2)c1 151803313 JYDAGAVTTCEOFS-UHFFFAOYSA-N 280.258 3.696 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@@H](CC)c2ccncc2)c1 151813784 FOQKPPPBCUSAQV-KRWDZBQOSA-N 293.370 3.678 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CC1(C)C 154112983 JKOSBTMNFPPXSW-SNVBAGLBSA-N 293.750 3.562 30 20 CHED C=CCCOCCNC(=O)c1ccc(-c2ccccc2)cc1 155285373 SCASUYMJGOEMIA-UHFFFAOYSA-N 295.382 3.676 30 20 CHED C=CCCCCCN(C)C(=O)Cc1c[nH]c2ccccc12 156759017 RRGMTLMRFZFTDK-UHFFFAOYSA-N 284.403 3.915 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C 158177060 AKBGMWGUXGPNQT-KGLIPLIRSA-N 299.418 3.998 30 20 CHED CC[C@@H](C#N)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 162772698 PZPFAAJOJSMCSV-MNOVXSKESA-N 298.308 3.617 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccccc1)C1CCCC1 162781323 WRWBMMLQVKDIBG-MRXNPFEDSA-N 272.392 3.745 30 20 CHED CN(C)c1c(Cl)cccc1NCc1ccc(C#N)s1 165904844 FCKWCLFTFPENTJ-UHFFFAOYSA-N 291.807 3.951 30 20 CHED CC#CCS[C@@H](C)c1nc(-c2ccccc2)no1 166761534 SLRAIYIJSZYDPK-NSHDSACASA-N 258.346 3.554 30 20 CHED CC(C)C[C@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2n1C 171033474 YOMOUZFWLBKWPJ-UONOGXRCSA-N 297.402 3.822 30 20 CHED C#Cc1cccc(N(C)C(=O)c2csc(CC(C)C)n2)c1 171195301 BCSZQIZXAGWHMS-UHFFFAOYSA-N 298.411 3.600 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(SCC)c1 172105091 CCVBMZCGYQGJOF-NSHDSACASA-N 264.394 3.885 30 20 CHED C=CCCC(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 172746599 FAFJBDJTROUZQC-IJEWVQPXSA-N 257.377 3.746 30 20 CHED CC(C)[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 173050373 LMQYQZPCOHIDFM-KRWDZBQOSA-N 278.355 3.937 30 20 CHED CCN(C(=O)CCc1ccc(F)cc1)c1ccc(C#N)cc1 174079289 FGGLCUGERGMZAZ-UHFFFAOYSA-N 296.345 3.683 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2)o1 176032405 CUNHYFWPDVYANE-CQSZACIVSA-N 285.299 3.777 30 20 CHED N#Cc1ccc(/C=C/c2nc3ccccc3o2)s1 176402379 AETZTYAQOVRLMN-BQYQJAHWSA-N 252.298 3.931 30 20 CHED CC[C@H](CNCc1cccc(C#N)c1)Oc1ccccc1F 176990573 IPPXPCQUCDMNGC-MRXNPFEDSA-N 298.361 3.645 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc2c(s1)CCC2 178627234 QICTYGMXXZJSHH-UHFFFAOYSA-N 282.368 3.669 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cc3ccccc3s2)C1 178788970 CGDNUUGNSQQZCA-JQWIXIFHSA-N 271.341 3.750 30 20 CHED COc1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c2ccccc12 179880133 LHKCZYNBZPJIJH-QWHCGFSZSA-N 295.338 3.697 30 20 CHED CCC(CC)[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CCO1 180372490 NTMXZZWLHMPKEZ-BBRMVZONSA-N 292.448 3.693 30 20 CHED C=CCN[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 180604149 ZPRGQVCSHOBDGJ-CYBMUJFWSA-N 298.361 3.915 30 20 CHED C[C@@H](NCCCCC#N)c1cccc(N2CCCC2)c1 181875330 WUBCKTJPCKUPDN-OAHLLOKOSA-N 271.408 3.631 30 20 CHED Cc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)ccc1F 182132433 JGMWJWFKSOXKPM-GFCCVEGCSA-N 298.317 3.677 30 20 CHED N#Cc1cccc(SCCCO[C@@H]2CCCCO2)c1 185085434 AAMXGIWPKGUKTJ-OAHLLOKOSA-N 277.389 3.584 30 20 CHED CC#CCCCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 185243971 JWUJEJLCXKCCRW-HNNXBMFYSA-N 282.387 3.661 30 20 CHED CCCN(CC#N)CC1CCC(C(F)(F)F)CC1 185502891 FSKCLGJEZNIQKB-UHFFFAOYSA-N 262.319 3.591 30 20 CHED N#C[C@H]1CCC[C@H](Nc2c[nH]nc2-c2ccccc2)C1 185899172 VSKKIPXWAQNJQJ-JSGCOSHPSA-N 266.348 3.571 30 20 CHED CC#CCCCC(=O)Oc1ccccc1OC(F)(F)F 186293536 OAUSLTXGLMKLHL-UHFFFAOYSA-N 286.249 3.684 30 20 CHED C#CCCCCC(=O)N1Cc2ccccc2C[C@@H]1CC 186360065 LLKHSBIBJLBONU-KRWDZBQOSA-N 269.388 3.544 30 20 CHED C[C@@H](CC#N)NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 187611056 QLHUTAKJPQLRPM-LBPRGKRZSA-N 292.810 3.717 30 20 CHED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(C)(C)C#N 188943238 NOGROIJIZHIMBX-RYUDHWBXSA-N 292.810 3.840 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 189380313 FCOHCTGNDGQLTR-KRWDZBQOSA-N 281.355 3.994 30 20 CHED C#CCCCC(=O)N(Cc1ccco1)Cc1cccs1 192069375 VBCWSETYBQRZBX-UHFFFAOYSA-N 287.384 3.673 30 20 CHED C#CCCCC(=O)N1c2ccccc2S[C@@H](C)[C@H]1C 192374834 YIIZUFGHQMXDFV-OLZOCXBDSA-N 273.401 3.706 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)c(F)c1 192512141 SKKBKNAJIALWJH-SFHVURJKSA-N 280.346 3.938 30 20 CHED COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 192755230 ZTWUOIMPBXGLPG-QWHCGFSZSA-N 296.370 3.684 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1csc2ccccc12 194416894 AWSLFFZQMMEIES-HNNXBMFYSA-N 272.373 3.569 30 20 CHED O=C1/C(=C\c2cccc(F)c2)CCc2cc(O)ccc21 207934035 SMQOETKWIUXISR-JYRVWZFOSA-N 268.287 3.744 30 20 CHED COc1cccc([C@@H](C)NCc2ccc(F)c(C#N)c2)c1 223629306 AEEWMRVDKUKVKO-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=C(Cl)COc1cc(Br)ccc1C(C)=O 225951458 YOXCLHQRLJWKFU-UHFFFAOYSA-N 289.556 3.783 30 20 CHED N#Cc1ccc(NC(=O)C2(c3ccccc3)CC2)c(Cl)c1 226345362 DHECOBVGORYZLU-UHFFFAOYSA-N 296.757 3.882 30 20 CHED COc1ccc([C@@H](C)Nc2nccc(C#N)c2Cl)cc1 234975321 PSUNEHYYAUBUGQ-SNVBAGLBSA-N 287.750 3.788 30 20 CHED CCCCCCCC(=O)N1CCO[C@@H](c2ccccc2)C1 248256033 KTDGCCUPOXCYLW-QGZVFWFLSA-N 289.419 3.947 30 20 CHED Cc1noc(C)c1/C=C1/CSc2ccc(F)cc2C1=O 255602400 WXSGYBKOOAAXRN-YHYXMXQVSA-N 289.331 3.803 30 20 CHED Cc1ccc2cc(C(=O)N(CCC#N)CC(C)(C)C)[nH]c2c1 264196274 CXAGPVJIYFSOLO-UHFFFAOYSA-N 297.402 3.878 30 20 CHED C=CCCCC(=O)Nc1cccc(Cl)c1OC 267345915 UGKOSWPTPPLDAH-UHFFFAOYSA-N 253.729 3.643 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C/c1cnccc1C 273105659 BRVWHJVSGJAAMC-BQYQJAHWSA-N 299.418 3.582 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)NCCCC#N 273254257 LLVXHIIIPMUFJD-SNVBAGLBSA-N 251.399 3.529 30 20 CHED C=Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 274248296 VSRDVOLHONDKQY-UHFFFAOYSA-N 270.376 3.732 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@H]2CCO)c(C(F)(F)F)c1 274995058 FJBVBZBWIAXWPC-WCQYABFASA-N 298.308 3.540 30 20 CHED C#CCCCNc1cc(Cl)ccc1OC[C@@H]1CCOC1 275019553 PKRCFXJKYXYWKI-CYBMUJFWSA-N 293.794 3.581 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CCCCC1 276465028 PJIDBKCCXGJBHD-HNNXBMFYSA-N 294.398 3.709 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1F 276917660 LUVQGZQBAVJRIC-SRCQZFHVSA-N 293.382 3.620 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(F)c(F)c1 280650627 OEUVHJHKPAXUGC-KFNAQCHYSA-N 281.346 3.597 30 20 CHED C=C(C)CN(CC)C(=O)c1c(F)cccc1SC 280963313 KEIDZOHUEWGCIG-UHFFFAOYSA-N 267.369 3.586 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(C#N)oc2C)CCCC1(C)C 281082199 PCUDHDZQGLNTMB-OAHLLOKOSA-N 286.375 3.667 30 20 CHED COc1ccc2cc(NC(=O)CC(C)(C)C#N)ccc2c1 285721951 OEHXKRGXLKHOAG-UHFFFAOYSA-N 282.343 3.727 30 20 CHED C=CCC[C@H](NC[C@H](O)c1ccccc1)c1ccco1 285829852 WVCJUKFERZYJMY-HOTGVXAUSA-N 271.360 3.610 30 20 CHED C=C(C)CCNc1cccc(C(=O)NC(C)(C)C)c1 288655944 FUTQAFIAJNKNLR-UHFFFAOYSA-N 260.381 3.593 30 20 CHED C=C(C)CCNc1ccccc1[C@@H](O)C(F)(F)F 288760770 SIBPIUBOGDXEPM-GFCCVEGCSA-N 259.271 3.660 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)CCCCC#N 289471685 RAIXPWQYLQTNQN-MRXNPFEDSA-N 260.381 3.772 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(C2CCCC2)cc1 290805847 UYRPOOYSOHXXBX-INIZCTEOSA-N 270.376 3.766 30 20 CHED C=CCC[C@H](CCC)NCc1oc(CC)nc1C 291792979 BHVWJHOXQULUFO-ZDUSSCGKSA-N 250.386 3.770 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCCc1ccc(OC)cc1 292184839 HICBDAIHHYQITB-UHFFFAOYSA-N 289.419 3.689 30 20 CHED Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c(F)c1 294469939 QBWNXGPENJSCMY-MRXNPFEDSA-N 272.323 3.547 30 20 CHED N#Cc1cccc(CN[C@H]2CCCc3nc(Cl)ccc32)c1 295964881 MKAPTOZCAZCMOV-HNNXBMFYSA-N 297.789 3.774 30 20 CHED C=CCN(CC=C)C(=O)c1c2c(nc3ccccc13)CCC2 298154451 JROFYCDWOUVMNR-UHFFFAOYSA-N 292.382 3.538 30 20 CHED N#Cc1ccc(NCc2ccc(N3CCCCC3)nc2)cc1 298746428 ZCDATVJVSBJAAI-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[C@H]2CC[C@H]1C2 300136966 PHNZUHWFYXXMLS-AATLWQCWSA-N 281.812 3.905 30 20 CHED CC(C)[C@H]1CCCN(c2snc(Cl)c2C#N)CC1 301304956 TYWSLULWLIBQQT-JTQLQIEISA-N 283.828 3.931 30 20 CHED N#Cc1cc(F)ccc1NCCc1c(F)cccc1F 301328033 AFKPRQPDQZKQIF-UHFFFAOYSA-N 276.261 3.630 30 20 CHED CC1CCC(N(C[C@H]2CCCO2)c2ccc(C#N)cn2)CC1 301371169 SUALSCBEAMWDOB-BDVYOWHSSA-N 299.418 3.517 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)nc1 301524832 PHULTGJATRETGO-UHFFFAOYSA-N 291.276 3.608 30 20 CHED N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 301631538 CQQUKYHAZKIKNJ-CFVMTHIKSA-N 276.767 3.581 30 20 CHED C[C@@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1Cl 301934937 QSNNYXFQZHNFLT-MRVPVSSYSA-N 293.157 3.828 30 20 CHED Cc1ccc(Br)c(N[C@H]2CC[C@@H](C#N)C2)c1 309884077 XFWABXIBUIJJJD-MNOVXSKESA-N 279.181 3.862 30 20 CHED C=C(C)CNC(=O)/C=C\c1cc(Cl)cc(Cl)c1 310029795 HQZUYQGLSZEVQE-ARJAWSKDSA-N 270.159 3.699 30 20 CHED C#C[C@H](NC(=O)[C@H](c1ccccc1)[C@@H](C)CC)C(C)C 312162802 SRIGGFDZZSAWIW-XIRDDKMYSA-N 271.404 3.590 30 20 CHED CC[C@H](O)[C@@H](CC)Nc1ccc(C(F)(F)F)c(C#N)c1 313092076 BCOJMHJFNFTLKJ-OLZOCXBDSA-N 286.297 3.538 30 20 CHED CC[C@@H](C)[C@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 315491178 WZXVEERNKMPEBE-ZBFHGGJFSA-N 286.419 3.872 30 20 CHED O/C(=N/Cc1noc(C2CC2)n1)[C@H]1CCCc2ccccc21 328991689 SNAVEWWUPKLWPO-AWEZNQCLSA-N 297.358 3.524 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cnc3c(c2)CCCC3)CCC1=O 329304245 OFPIXEDZSHIKSJ-WCQYABFASA-N 286.375 3.554 30 20 CHED O/C(=N/C[C@H]1CCC2(CCCCC2)O1)Nc1ccsc1 330162659 USSOEXUCNDWXJL-CYBMUJFWSA-N 294.420 3.956 30 20 CHED CO[C@@H]1CC[C@H](/N=C(/O)Nc2ccc(C3CCC3)cc2)C1 330206727 FKGCSOGWUFNDEX-JKSUJKDBSA-N 288.391 3.848 30 20 CHED CCc1ccnc(C/N=C(/O)N[C@@H]2CCC[C@H](CC)C2)c1 331232073 JIAJGMGJABXRBB-DZGCQCFKSA-N 289.423 3.616 30 20 CHED Cc1cc(C)c(NC(=O)c2cc(C#N)ccc2Cl)c(C)n1 334474862 LOOLLKGPVMYRJM-UHFFFAOYSA-N 299.761 3.784 30 20 CHED N#CCC1CCN(Cc2ccc(Cl)s2)CC1 335845264 DMSACLASUFSLIG-UHFFFAOYSA-N 254.786 3.527 30 20 CHED Cc1ccc2[nH]c(CN3CCC(C#N)CC3)cc2c1C 336067378 QOXKOQBXPFIMNM-UHFFFAOYSA-N 267.376 3.520 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC(C)C)c(OC)c1 337083317 BNPWCGYPQMKCAY-AWEZNQCLSA-N 291.391 3.567 30 20 CHED CCOc1cc(C#N)ccc1OCc1nc(C)sc1C 337651866 BQGWFMSZIIGKNW-UHFFFAOYSA-N 288.372 3.609 30 20 CHED C=CC[C@@H](CC)NC(=O)c1nc(-c2ccccc2)cs1 338278192 VXIVMLXAJSFNFR-CYBMUJFWSA-N 286.400 3.895 30 20 CHED N#Cc1ccnc(NCCOc2cccc3ccccc23)c1 339970579 KGVBSMJZRIRGDE-UHFFFAOYSA-N 289.338 3.597 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCc2cccc3cc[nH]c23)c1 341385556 UDURCVGYSNEERW-UHFFFAOYSA-N 292.298 3.560 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N(C1CC1)C1(C#N)CCC1 341605030 PIFTXMNSNRMYFE-HNNXBMFYSA-N 296.414 3.926 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccsc1-n1c(C)ccc1C 342373355 JEYOVFWXHSDCEU-LLVKDONJSA-N 288.416 3.850 30 20 CHED CC(C)[C@H]1CCCCN1c1nccc(C#N)c1Cl 342412749 KLBUNKABRUNTAS-GFCCVEGCSA-N 263.772 3.622 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc2ccoc2c1)OCC 343986210 NCZSXLFALJIKMD-CQSZACIVSA-N 273.332 3.743 30 20 CHED COc1cc(CSCC2(C#N)CC2)ccc1OC(F)F 344468574 SASWXHXNVOQMHP-UHFFFAOYSA-N 299.342 3.834 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H]2CC[C@@H](C)C2)c1C#N 345426741 FTXNWQSWFLPPFS-MWLCHTKSSA-N 276.405 3.865 30 20 CHED C=CCOCCCN(C)[C@@H](C)c1sc(CC)nc1C 348049711 JDDJBFNHXUHVDJ-ZDUSSCGKSA-N 282.453 3.599 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1nccn1-c1ccccc1 348331889 WOBFSZZXNZFXGL-LSDHHAIUSA-N 269.392 3.878 30 20 CHED C=CCC[C@H](N[C@@H](C)C[C@@H]1CCCO1)c1ccco1 353494460 CUWLYZXUEXJXCM-KKUMJFAQSA-N 263.381 3.834 30 20 CHED CC1(C(=O)CSc2ccc(C#N)cc2Cl)CC1 356066806 ZBXVYDJGDIMXFA-UHFFFAOYSA-N 265.765 3.673 30 20 CHED N#Cc1ncccc1N[C@@H]1CCc2sc(Cl)cc21 357605548 XNWDXDQQJXEBBV-SECBINFHSA-N 275.764 3.768 30 20 CHED C=C(CC)CSCC(=O)N[C@@H](C)c1ccccc1 358633160 DMNXZOOPABQPDG-ZDUSSCGKSA-N 263.406 3.563 30 20 CHED C=CCCCC[C@@H](C)N[C@@H]1CCCc2c1cnn2C 359299655 HQEXNERYGGSEFL-UKRRQHHQSA-N 261.413 3.522 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc(C(C)=O)c2)c1 360299531 JTUCTJHLDGGVDE-UHFFFAOYSA-N 295.338 3.706 30 20 CHED Cc1ccc(CC2CCN(C(=O)CC(C)(C)C#N)CC2)cc1 365961687 CDKHXYVIMBNUBQ-UHFFFAOYSA-N 298.430 3.716 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C)C2(CCC2)C1 367521630 XTAHNNMVSBESJQ-CYBMUJFWSA-N 297.402 3.911 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCC(C#N)(c2ccccn2)CC1 370532809 FDGSNQQRNGQCQW-IAGOWNOFSA-N 297.446 3.765 30 20 CHED C[C@H](NCC1=CCCCC1)c1ccc(OCC#N)cc1 379572134 SICZGBCHTRECKM-AWEZNQCLSA-N 270.376 3.740 30 20 CHED C=CCCCCN[C@H](C)Cc1ccc(OC)c(OC)c1 383744562 TUYSCWXRRIKBBB-CQSZACIVSA-N 277.408 3.581 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(Cc2ccc(C#N)cc2)n1 385038317 QVNCDCYSEMQHGN-IUODEOHRSA-N 281.359 3.826 30 20 CHED C=CCCCCNCc1cc2cccc(OC)c2o1 389195624 PWSDWZJLAWJZPG-UHFFFAOYSA-N 259.349 3.887 30 20 CHED N#Cc1ccc(N[C@H]2CC23CCCCC3)cc1[N+](=O)[O-] 395639222 CGXBOUDFTMDICT-AWEZNQCLSA-N 271.320 3.601 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(Cl)n1 401925047 QOCCEDIPDFTDDN-LBPRGKRZSA-N 285.778 3.766 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 412815461 PPKVPABJHMONKA-PXAZEXFGSA-N 289.375 3.504 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1ncc(C#N)cc1F 413075953 SNDMJULXMGMLGZ-HNNXBMFYSA-N 267.307 3.500 30 20 CHED CC(C)(CC#N)CNc1ccc(Br)cc1C#N 413408350 MRQVXPRGSKINSR-UHFFFAOYSA-N 292.180 3.673 30 20 CHED N#CCC[C@@H](C#N)COc1cc(C(F)(F)F)ccc1F 414187543 QBJBTDYQBWLNSP-VIFPVBQESA-N 286.228 3.667 30 20 CHED C=CCCCC(=O)N[C@H](CC(F)F)c1ccccc1 421698810 LPTYGNUBQHXDGK-CYBMUJFWSA-N 267.319 3.855 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1cccc(OCCC)c1 424736352 KBUYWKKLVYXNDV-UHFFFAOYSA-N 289.419 3.736 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 424782998 JCCAAVANMZPLKJ-LSDHHAIUSA-N 281.440 3.689 30 20 CHED CC(C)[C@@H](C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425120796 BDFDUYIOGWYATA-UONOGXRCSA-N 272.392 3.760 30 20 CHED FC(F)(F)c1ccc(C#CCN2CC[C@@H]3CCC[C@@H]32)cc1 426468384 FOXRUYJNJJQSPH-HOCLYGCPSA-N 293.332 3.931 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2SCC)CC1 428347429 HULWHUYVEMRKFS-GJZGRUSLSA-N 296.480 3.658 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 428883208 UPALAKNQELNFDJ-ZMSDIMECSA-N 286.419 3.847 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCSC(C)(C)CC1 434709686 YACXEIBGBPNTLG-CYBMUJFWSA-N 274.433 3.837 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(C(C)C)cc1 435387294 ZFDDAUVOGWNQDN-UHFFFAOYSA-N 268.316 3.835 30 20 CHED C=C(C)CN(CC)Cc1c[nH]nc1-c1ccsc1 437595546 YYRVJRNRXGRSGU-UHFFFAOYSA-N 261.394 3.536 30 20 CHED N#Cc1cccc(C#N)c1NCCc1ccc2[nH]ccc2c1 440531344 CSZTUVPSFFYKTH-UHFFFAOYSA-N 286.338 3.566 30 20 CHED C=CCCN(C)C(=O)c1ncccc1Oc1ccccc1 440874959 NBSHSTWSLZCLKV-UHFFFAOYSA-N 282.343 3.522 30 20 CHED CN(C)Cc1cc(N[C@H]2CC[C@H](C#N)C2)ccc1Cl 442873348 OTQBHRSUKREADM-AAEUAGOBSA-N 277.799 3.506 30 20 CHED Cc1ccc(CNC(=O)[C@H](C)C#N)c(Oc2ccccc2)c1 446523523 UNABHWYQUFXQPV-CQSZACIVSA-N 294.354 3.563 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCC1CCC(C(F)(F)F)CC1 449547839 KCKNINDJVZHFQF-PQAZSJQKSA-N 291.357 3.678 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3nnco3)cc2)CCCC1 449644187 DJPGQSQEZZFHJZ-UHFFFAOYSA-N 297.358 3.812 30 20 CHED N#CCc1cccc(NCc2cnc([C@@H]3CCCO3)s2)c1 449693550 FAZIPLCRISJUIM-HNNXBMFYSA-N 299.399 3.673 30 20 CHED C=CCC1(C(=O)NCCc2csc(CC)n2)CCCC1 449827724 NTYUUENWQLTYFA-UHFFFAOYSA-N 292.448 3.501 30 20 CHED C=CCC1(C(=O)N[C@H](C)CNc2ccccc2)CCCC1 450105862 QLHKZVVUBMJGEN-OAHLLOKOSA-N 286.419 3.740 30 20 CHED N#Cc1nn(C[C@@H]2CCCCC2(F)F)c2ccccc12 450893785 CYQAVQYSJHMZRE-NSHDSACASA-N 275.302 3.733 30 20 CHED N#Cc1nn(CCC2=CCCCC2)c2ccccc12 450894880 HFOYOXVWOXKKLX-UHFFFAOYSA-N 251.333 3.798 30 20 CHED N#Cc1cc(CN[C@@H]2CCC23CCCC3)ccc1F 451461380 UFTWIYWDUIGSRS-OAHLLOKOSA-N 258.340 3.510 30 20 CHED C=CCCCS(=O)(=O)N[C@H](C)c1cccc(C2CC2)c1 451586424 IENIDILDXRFDGM-CYBMUJFWSA-N 293.432 3.511 30 20 CHED C=CCCC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 452406590 KSBGBEDOWRRSSC-JKSUJKDBSA-N 257.377 3.653 30 20 CHED C=C(C)CCNC(=O)C[C@@H](C)c1c[nH]c2ccccc12 452718115 OODPNKFQQXWAIX-CYBMUJFWSA-N 270.376 3.744 30 20 CHED C=CCCc1noc(COc2ccc(C(F)(F)F)cc2)n1 453248723 ROKMUGZRGUXYDQ-UHFFFAOYSA-N 298.264 3.786 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2c(Cl)cccc21 453345789 GIFYMCJBSSTNTD-XHSDSOJGSA-N 277.795 3.651 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 454658871 FJYQROSQDNFRIX-IUODEOHRSA-N 276.355 3.555 30 20 CHED C=C(C)CCNC(=O)N[C@@H](CC)c1cc(F)ccc1F 455309630 LKJXBTQITUXACK-AWEZNQCLSA-N 282.334 3.681 30 20 CHED C=CCCCCNC(=O)N[C@H](c1ccccc1)C(F)F 455654603 QLTOAMNVRQMZOH-CYBMUJFWSA-N 282.334 3.648 30 20 CHED CC(C)CC(C)(C)CNC(=O)Nc1cccc(CC#N)c1 455917921 KLCDQVDSZBPXCY-UHFFFAOYSA-N 287.407 3.946 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCO[C@@H](CC)C2)CCCCC1 456367085 NBRMCTWPTPJQMD-CABCVRRESA-N 279.424 3.587 30 20 CHED C[C@@H](C#N)CN(C)C(=O)C(C)(C)Cc1ccc(Cl)cc1 457474859 DOAORAXTTZPOGM-LBPRGKRZSA-N 292.810 3.527 30 20 CHED CC#CCCN1CCC[C@H]1c1cccc(Br)c1 462322693 ZPFOICRHOQOIKA-HNNXBMFYSA-N 292.220 3.999 30 20 CHED C[C@@H]1CCCC[C@H]1OCCNc1ccc(F)cc1C#N 462790726 MPSBSIBHNVJAQP-MLGOLLRUSA-N 276.355 3.705 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2ccc(Cl)cc2C1 466378030 XMHRYLFUSXMKSQ-OAHLLOKOSA-N 292.810 3.762 30 20 CHED C=CCCN(C)Cc1ccc(-c2ccccc2C(=O)OC)o1 467376199 ITMBUEUGNOYHML-UHFFFAOYSA-N 299.370 3.741 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCCOc1ccc(F)cc1 467925636 ANPVQBJCDYXSPW-KRWDZBQOSA-N 293.382 3.655 30 20 CHED C=CCN(CC=C)C(=O)CSCc1ccc(C)c(C)c1 468627662 NRLRHDLZXSEAGV-UHFFFAOYSA-N 289.444 3.737 30 20 CHED C=CCCCCNC(=O)C[C@@H](C)Cc1cccc(F)c1 471704444 DUPAJUUFYSFYCX-AWEZNQCLSA-N 277.383 3.867 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 476257934 WRPAAIYLZOKIEP-KBPBESRZSA-N 290.794 3.847 30 20 CHED C=C(CC)CS[C@@H](Cc1ccc(C)cc1)C(=O)OC 477070033 ROAFCGSFNIFCHS-HNNXBMFYSA-N 278.417 3.779 30 20 CHED CCn1c(-c2ccc(OC)c(C#N)c2)nc2ccc(C)cc21 478235950 LRPAUFVPCCFHSG-UHFFFAOYSA-N 291.354 3.912 30 20 CHED N#CN(CC#Cc1ccc(F)cc1)c1cccc(Cl)c1 478761583 ZDGGJLJAJIFKOP-UHFFFAOYSA-N 284.721 3.818 30 20 CHED C=C(C)CN(C)Cc1cccc(CN(C)CC(=C)C)c1 481266964 FHALKSQWBHGZPQ-UHFFFAOYSA-N 272.436 3.702 30 20 CHED C=CCN(C(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1 483210511 YMNPJABBLSTECX-GFCCVEGCSA-N 265.303 3.641 30 20 CHED C=CCCCCCS[C@@H](C)C(=O)N(CC)CC 485574244 FKXWKRSBYJGISH-ZDUSSCGKSA-N 257.443 3.723 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 488570901 WCTWSMIUQNQMGT-MRXNPFEDSA-N 290.382 3.932 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cccc(OC(F)F)c1 489741118 YMOXWXBCBQSUKG-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C#C[C@H](NCc1cccnc1C)c1ccc(Cl)cc1F 491626200 IIDQJGOUWFLENO-INIZCTEOSA-N 288.753 3.647 30 20 CHED C#CCN(CC)C(=O)Nc1ccccc1-c1csc(C)n1 491704204 HHVOUTBUMPGCNS-UHFFFAOYSA-N 299.399 3.606 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)c1ccc(F)cc1 509059708 DURWNCGLKJDOLD-UHFFFAOYSA-N 282.318 3.673 30 20 CHED CCC(CC)CN(CC)C(=O)Nc1ccc(C#N)c(F)c1 520784554 NHKKAMYIUVTHAM-UHFFFAOYSA-N 291.370 3.987 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1C[C@@H]1C 521705508 XHVQPCKOSUBCQM-QWRGUYRKSA-N 283.824 3.962 30 20 CHED CCC(C#N)(CC)c1nc(-c2cccc3nc(C)[nH]c23)no1 528190594 OWLHPGHGQGWODK-UHFFFAOYSA-N 295.346 3.503 30 20 CHED C=C[C@H]1CCCCN1C(=O)CC1(c2ccccc2)CC1 529201232 XGVHHPHXNQGGGV-INIZCTEOSA-N 269.388 3.675 30 20 CHED C=CC[C@H](CO)CN[C@H](Cc1ccccc1)c1ccccc1 540397297 UTNDVHKVVJZZGY-AZUAARDMSA-N 295.426 3.745 30 20 CHED Cc1ccnc(N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1C#N 541279013 MZAUCNQHIVKVPT-RDJZCZTQSA-N 291.398 3.892 30 20 CHED C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(F)c1F 544121254 DJPWBLSUGDZCPX-GFCCVEGCSA-N 286.325 3.882 30 20 CHED C=CC[C@H](CC)NC(=O)C1(Oc2ccc(Cl)cc2)CC1 551285274 PSUKBLTUFGZZMB-ZDUSSCGKSA-N 293.794 3.722 30 20 CHED Cc1c(C(=O)N2C[C@@H](C)[C@H](C)C2)sc2ccc(C#N)cc12 560081731 HJOJZKCQZLBWNU-GHMZBOCLSA-N 298.411 3.809 30 20 CHED C=CCC1(NC(=O)Cc2ccc(C)o2)CCCCC1 562937074 MQUSAPPCGLBIQL-UHFFFAOYSA-N 261.365 3.526 30 20 CHED COc1ccc(COc2cc(F)cc(C#N)c2)cc1Cl 566581378 DZZLTSACVAUTLX-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC[C@@H](C)N(C(=O)Cc1c(F)cccc1C#N)[C@H](C)CC 567786199 OBAJZXZJBCTSCT-CHWSQXEVSA-N 290.382 3.665 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(C)nc2C2CC2)n1 568953067 PEAKDQKZWZNDOB-ZDUSSCGKSA-N 297.383 3.522 30 20 CHED N#Cc1ncccc1N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 569132999 NSMMSVRRZJBVID-HIFRSBDPSA-N 281.334 3.841 30 20 CHED COc1cccc(Cl)c1COc1ccccc1C#N 571466212 PPAYGOVNYBLAKL-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=CCCCCN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 576671959 UUTOKDXXZHUPMV-QYZOEREBSA-N 285.431 3.847 30 20 CHED Cc1cc(F)ccc1Cc1noc(-c2ccc(C#N)cc2)n1 578018132 MDHZESHSAJDWKY-UHFFFAOYSA-N 293.301 3.647 30 20 CHED Cc1c(C(=O)N2C[C@@H](C)C[C@@H]2C)sc2ccc(C#N)cc12 578677228 NQCZQDOXXPPBIP-QWRGUYRKSA-N 298.411 3.952 30 20 CHED CCCC1(CNC(=O)N2CCC(CCC#N)CC2)CCC1 580426620 LOEIZLYKWYREPZ-UHFFFAOYSA-N 291.439 3.682 30 20 CHED CC(C)c1cc(C(=O)NCCCC#N)c(O)c(C(C)C)c1 581314614 XVMFJZSIBALFMT-UHFFFAOYSA-N 288.391 3.673 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2NCC2(C#N)CC2)cc1 584875998 LUYGCTZADQVQRM-HOTGVXAUSA-N 254.377 3.525 30 20 CHED N#CCCCCCC(=O)N(Cc1cccc(F)c1)C1CC1 588277970 KUGXWGYZPQBYRS-UHFFFAOYSA-N 288.366 3.791 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C\c2cccc(C)c2)cc1 588419218 ADZRMRLPGXUYOR-WDZFZDKYSA-N 279.339 3.850 30 20 CHED N#CCCCCCc1nc(Cc2ccc3c(c2)CCC3)no1 589144304 ZDGDMCJHVABKFX-UHFFFAOYSA-N 295.386 3.776 30 20 CHED N#Cc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)s1 592988634 METBGYREWXZCOD-CQSZACIVSA-N 285.368 3.592 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccccc1)C1CCCC1 593414845 NPDGJNWVALKTBA-BBRMVZONSA-N 270.376 3.584 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 594094451 KECZFIPGOSVJHC-VHSXEESVSA-N 299.201 3.857 30 20 CHED Cc1cccc2[nH]c(CNCC3CCC(C#N)CC3)cc12 594938512 WVHWSAQVXZQXDP-UHFFFAOYSA-N 281.403 3.896 30 20 CHED N#Cc1ccc(CCN2CC[C@@H](c3ccccc3F)C2)cc1 595309902 BTVDYXNGWNPJSD-QGZVFWFLSA-N 294.373 3.729 30 20 CHED N#Cc1ccc(CCN2CCCc3sccc3C2)cc1 595314272 STXWEGNVACYWDH-UHFFFAOYSA-N 282.412 3.611 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@H]1c1c(C)cccc1C 597886580 ONSBWGBVXRCSGI-GJZGRUSLSA-N 270.376 3.517 30 20 CHED CCC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)OCC 599059692 JXWPGYPESXTTNE-TZMCWYRMSA-N 278.371 3.553 30 20 CHED N#Cc1cc(F)cc(NCc2ccc3cc[nH]c3c2)c1 600861734 OXANWRUUCMWRHD-UHFFFAOYSA-N 265.291 3.791 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CCC(C)C)c(F)c1F 601037252 TYZQKANTJJCGJJ-UHFFFAOYSA-N 294.345 3.675 30 20 CHED COc1ccc(C[C@H](C)CN(C)C[C@@H](C)CCC#N)cc1 602478773 AFZUCERVXRPYPT-HOTGVXAUSA-N 288.435 3.745 30 20 CHED CCOCCC1(CNC[C@@H](C)CCC#N)CCCC1 602565734 GAOLUWQDRVQDRS-HNNXBMFYSA-N 266.429 3.503 30 20 CHED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C[C@H](C)CCC#N 602669403 WKEXNHUJFIZNCV-CJNGLKHVSA-N 288.439 3.884 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC[C@@H](C)CCC#N 602693004 KYHSPGYUZJPMNJ-RDJZCZTQSA-N 256.393 3.703 30 20 CHED CC[C@@](C)(NCc1cccc(C#N)n1)c1ccc(F)cc1 602729133 QQWLSBKQMDCHRJ-QGZVFWFLSA-N 283.350 3.507 30 20 CHED CN(CC#N)C(=O)c1sc2cccc(Cl)c2c1Cl 608777484 AHLGTZSGSKLAMK-UHFFFAOYSA-N 299.182 3.804 30 20 CHED CCc1ccc(CCNc2ncc(C#N)cc2Cl)cc1 609893636 FJTVPBIKLCVMLU-UHFFFAOYSA-N 285.778 3.824 30 20 CHED CCc1ccc(CCNc2ccc(C#N)cc2)cc1 609893650 KIBVDZRTJSYPAG-UHFFFAOYSA-N 250.345 3.775 30 20 CHED CSc1ccc(CN(C#N)c2ccc(F)c(C#N)c2)cc1 610340148 BJVKCUHCBWZOCV-UHFFFAOYSA-N 297.358 3.907 30 20 CHED Cc1cccc2c(N3CC[C@H](C)[C@@H]3C)c(C#N)cnc12 610588360 GBDKIPGMTMVKIT-AAEUAGOBSA-N 265.360 3.650 30 20 CHED CC(C)c1ccc(C(=O)N(C)c2cccc(C#N)c2)c(O)c1 611279336 DJJRPMPBYGEMND-UHFFFAOYSA-N 294.354 3.664 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2cc(F)ccc2Cl)C1 612305325 ZFHOUTSMDQAQPF-CQSZACIVSA-N 295.745 3.637 30 20 CHED CCc1ccccc1CC(=O)N[C@H](C)c1cccc(C#N)c1 615479788 YXIZCOUSZFLVNH-CQSZACIVSA-N 292.382 3.541 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2nc3ccccc3s2)C1 617781998 WNBDYOIWHCVJJT-LBPRGKRZSA-N 286.400 3.725 30 20 CHED CCc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 618743058 VKQWLKISZQBLEG-IBGZPJMESA-N 276.383 3.898 30 20 CHED C=C(C)CN1CCC(NC(=O)[C@H](CCCC)C(C)C)CC1 621858808 FTVOKVMLPRGZOO-QGZVFWFLSA-N 294.483 3.606 30 20 CHED C=CCCOCC(=O)Nc1cccc(-c2cccs2)c1 624988588 ACPGOUXBVVPHAL-UHFFFAOYSA-N 287.384 3.946 30 20 CHED C=CCCN(C)C(=O)Nc1c(F)cccc1Cl 646348406 CZHNVWFTDVJYFA-UHFFFAOYSA-N 256.708 3.519 30 20 CHED Cc1ccccc1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 647371445 QORPOVMCXFRGGW-CYBMUJFWSA-N 282.368 3.819 30 20 CHED C=CCCNC(=O)N[C@@H](CC)c1ccccc1OC(F)F 660401694 WLRLAQSZMWSSPW-LBPRGKRZSA-N 298.333 3.614 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1c1c(C)cccc1C 661047439 MEVLXZNKNDCGFP-OAHLLOKOSA-N 272.392 3.726 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cnn([C@@H](C)C2CC2)c1 666808592 OUITUYHFFOBKIL-LBPRGKRZSA-N 290.411 3.720 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(F)c2SC)CC1 667410437 BFVYBSSVWDNTKZ-UHFFFAOYSA-N 294.395 3.978 30 20 CHED C=CCC1(NC2C[C@H](C)C[C@@H](C)C2)CCOCC1 668552148 FSFUTRIDOOTBGK-ZIAGYGMSSA-N 251.414 3.526 30 20 CHED C=CCC[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccco1 671759180 XUDQSGLXDDUPLS-MRXNPFEDSA-N 296.370 3.685 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)CN1CCCCC1 675742995 CJJMICXHEWBPEC-CVEARBPZSA-N 252.446 3.585 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)c1cnccc1C)c1ccccc1 678423476 LCWSTWPTTQZGLE-HOTGVXAUSA-N 294.398 3.927 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 683788271 KTSMBWJEHVFECO-RBSFLKMASA-N 261.409 3.792 30 20 CHED C=C(C)CCN1CCOc2c(Br)cccc2C1 684209344 BHDJWKSIIYZCCQ-UHFFFAOYSA-N 296.208 3.610 30 20 CHED CCn1cc(Cl)cc1C(=O)Nc1cc(C)cc(C#N)c1 700871358 LYRBFRRNQZLWEH-UHFFFAOYSA-N 287.750 3.594 30 20 CHED Cc1cccc(C(=O)Nc2cc(F)cc(C#N)c2)c1C 720269389 WQTIKEJBGOXURO-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C#CCCCCC(=O)N(C)c1ccc(Br)cc1 723885904 OVKFOWFDVQXYTK-UHFFFAOYSA-N 294.192 3.606 30 20 CHED Cc1ccc(C)c(C=NNc2nc(-c3ccccc3)no2)c1 726739096 CNGKJIHSOZXITQ-UHFFFAOYSA-N 292.342 3.799 30 20 CHED CC1(c2ccccc2)CC(/N=C/c2cccc(O)c2O)C1 729937067 LEPVDTRSOZRHSB-XDHOZWIPSA-N 281.355 3.637 30 20 CHED C=CCN(C(=O)NCC[C@@H]1CCCC[C@@H]1C)C(C)C 734071100 GREZHOBAYZXHPD-GJZGRUSLSA-N 266.429 3.809 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1ccc(F)cc1Cl 735983979 XWXIRARGMHCEEK-SECBINFHSA-N 286.803 3.580 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1ccsc1 739154735 DHISFNKTGLSHNY-CMPLNLGQSA-N 296.351 3.869 30 20 CHED c1ccc2c(c1)C(=NOCc1ccon1)c1ccccc1-2 740872895 QVSJHEVFAXQRAP-UHFFFAOYSA-N 276.295 3.624 30 20 CHED Fc1ccc([C@H]2CCCC2=NNc2ccccn2)cc1 741161085 GNDYMDQAXWCSBN-CQSZACIVSA-N 269.323 3.956 30 20 CHED Cc1ccc2cccc(C(=O)N(CCC#N)CC(C)C)c2n1 741211049 AVZQRLQWQQZDBD-UHFFFAOYSA-N 295.386 3.555 30 20 CHED COCc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 741763144 BCIZMLQJOPPACD-UHFFFAOYSA-N 294.276 3.696 30 20 CHED CCC(Cc1ccccc1)=NNc1cc(Cl)nc(C)n1 741766859 XPAWGUKTAXLCAW-UHFFFAOYSA-N 288.782 3.859 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2Cc3ccccc32)cc1 742056879 KNOJKBFLPAXDCF-GOSISDBHSA-N 290.366 3.582 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)c1ccccc1SCC#N 742720261 SYVUKHPREWTEPC-STQMWFEESA-N 290.432 3.857 30 20 CHED C=C(C)CCOC(=O)/C=C(\C)c1ccccc1OC 744304583 ZBYFQYACUDJFFS-ACCUITESSA-N 260.333 3.608 30 20 CHED C=CCCCC(=O)N(CCc1ccccc1)C1CC1 748533506 PZIHCMNLIPMCMO-UHFFFAOYSA-N 257.377 3.576 30 20 CHED C=CCN(CC=C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 754013831 INJDHIVSSKDAAB-CQSZACIVSA-N 283.375 3.780 30 20 CHED C=CCc1cc(OC)cc(CN2[C@H]3CCC[C@H]2CC3)c1O 754741156 WTOKTXSUYZOWFM-HOTGVXAUSA-N 287.403 3.646 30 20 CHED CCCCCC[C@H](C)NN=Cc1nc(C)cs1 755755049 WXFCLQDZRHELPO-NSHDSACASA-N 253.415 3.734 30 20 CHED Fc1cc(F)cc(C=NNCc2cccc(Cl)c2)c1 755771053 RNJCBZMNAVYUDV-UHFFFAOYSA-N 280.705 3.742 30 20 CHED CCO[C@@H]1CC(=NO[C@@H]2CCCCO2)C1(CC)CC 755822145 GFJNUELDUUXSGB-ZIAGYGMSSA-N 269.385 3.501 30 20 CHED Clc1cccc2c1CCC2=NO[C@@H]1CCCCO1 755823620 MSHWKKXHKOLRHY-CQSZACIVSA-N 265.740 3.534 30 20 CHED C=C[C@@H](C)NC(=S)Nc1cc(Cl)cc(Cl)c1 756795212 HXUXVOCZUGSEHD-SSDOTTSWSA-N 275.204 3.854 30 20 CHED C#CC[C@H](NC(=O)CCc1cccc(C)c1)c1ccccc1 757597344 LETRSBWEGJWELK-IBGZPJMESA-N 291.394 3.808 30 20 CHED COc1cc(F)cc(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 759212507 HVPLTZFIAVXLFK-ZUZCIYMTSA-N 288.322 3.997 30 20 CHED COc1cccc2c1CCC2=NNc1cccc(F)c1 759653371 OJLUEZBDGVJLJZ-UHFFFAOYSA-N 270.307 3.597 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc2nc(O)[nH]c2c1 759668114 YSVAWLJHUSACFT-UHFFFAOYSA-N 298.321 3.552 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 761393656 SJHDMGYAHHOAJX-HUUCEWRRSA-N 292.762 3.522 30 20 CHED COc1cc(F)ccc1NN=C1CC(C)(C)OC1(C)C 761891159 VMCRMNCHQSNSRH-UHFFFAOYSA-N 280.343 3.580 30 20 CHED N#Cc1ccc(NN=C2CCc3ccc(Cl)cc32)cc1 762451590 YUKBAWNDLQIEAQ-UHFFFAOYSA-N 281.746 3.974 30 20 CHED Cc1nc2ccccc2c(=O)n1N=CC1CCC(C)(C)CC1 764654783 OVNLWSHKQQAMAS-UHFFFAOYSA-N 297.402 3.755 30 20 CHED Cc1ccc(C=NNc2nc3ccccc3cc2C)cn1 764907348 KIQRPRDYDOOJRF-UHFFFAOYSA-N 276.343 3.693 30 20 CHED Cc1cc(OCCCOc2ccc(C#N)cc2)ccc1C#N 766069719 XBCOLHLESCUQOW-UHFFFAOYSA-N 292.338 3.586 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(C#N)c2)ccc1C#N 766489511 DJQGFKFMLOQKMB-VURMDHGXSA-N 272.307 3.634 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc3nccn23)CCCC1(C)C 767230039 WCEVFIFMIPNVNL-HNNXBMFYSA-N 297.402 3.541 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc(F)cc2Cl)c1 767742925 KMJNNNNRZRQLRT-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CCOc1cccc(/C=N\CCCc2cccs2)c1O 769548174 HIEHJTODWMSAKL-ATVHPVEESA-N 289.400 3.904 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1ccccn1 769830287 XVFLBYDMNRSHDZ-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C=CCCCCNC(=O)/C=C(\C)Cc1ccccc1OC 770083746 ZBJZZVNSJRHGPB-CCEZHUSRSA-N 287.403 3.657 30 20 CHED C[C@@H](C#N)OC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 772808321 UMDWYGHPSZHSEI-NICGVCSZSA-N 275.392 3.828 30 20 CHED CCc1ccc(C(C)=NNc2nccnc2C(C)C)cc1 773090335 FOKWOCFVJYEHLX-UHFFFAOYSA-N 282.391 3.999 30 20 CHED C=C(CC)CN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 773427296 FXUMMRYCOVIZIY-INMHGKMJSA-N 259.393 3.803 30 20 CHED C[C@H](OC(=O)C#Cc1ccccc1)c1ncc(C(C)(C)C)o1 773452056 HZKVCSRGXLNGBK-ZDUSSCGKSA-N 297.354 3.628 30 20 CHED CCCc1cccc(C=NNc2ccc(Cl)nn2)c1 774313183 ZBTJYSMYYBLOSR-UHFFFAOYSA-N 274.755 3.529 30 20 CHED COc1ccc2c(c1)CCCN2Cc1cccc(C#N)c1F 774546816 QJGQJGRHYOVBGP-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CCN(CC)C(=S)SCc1cccc(C#N)c1F 774618232 LWEIENPUTIQAIJ-UHFFFAOYSA-N 282.409 3.557 30 20 CHED Cc1cc([C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)no1 774838164 BLKMCYZWNMTLBI-KRWDZBQOSA-N 281.359 3.500 30 20 CHED N#CC1(COC(=O)CCCc2ccc(Cl)cc2)CC1 775851094 UIALAZOZJBEWHE-UHFFFAOYSA-N 277.751 3.510 30 20 CHED N#CC1(CN2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 775976669 WALMLDDXLUWBLS-QZTJIDSGSA-N 298.430 3.658 30 20 CHED O=C(/C=C\c1nc2c(s1)CCCC2)c1cccc(O)c1 776267359 XWRDDYIFDWVXTF-HJWRWDBZSA-N 285.368 3.624 30 20 CHED Cc1cc2c(cc1C)C(=NOC1CCOCC1)CCS2 777446296 HMTYFMDXIJUYMP-UHFFFAOYSA-N 291.416 3.699 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1cnccc1C 777448077 LFNHBKSGWGCRQG-LJQANCHMSA-N 295.430 3.971 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)Cc2c(Cl)cccc21 777467155 JCJPWDUWUCRYEP-UXBLZVDNSA-N 273.694 3.697 30 20 CHED Cc1cc(O)c(CNc2cccc(C#N)c2C)cc1C 779599437 SQRPOUSIOUCQAH-UHFFFAOYSA-N 266.344 3.801 30 20 CHED C#CCCCCCC(=O)Nc1cc(-c2nnco2)ccc1C 780892530 IFJQKJFQOKJDKG-UHFFFAOYSA-N 297.358 3.567 30 20 CHED Cc1cc(Cl)c(C(=O)OC2(C#N)CCC2)cc1C 781461167 OHMVCLSTHWPXMK-UHFFFAOYSA-N 263.724 3.560 30 20 CHED CC(C)(C#N)COC(=O)Cc1ccc(-c2ccccc2)cc1 781470692 SJJWYKNCMCIYTP-UHFFFAOYSA-N 293.366 3.989 30 20 CHED Clc1cccc(C=NOCCOCC2CC2)c1Cl 782307453 BJIDFRQVSKDUBN-UHFFFAOYSA-N 288.174 3.771 30 20 CHED C[C@H](OC(=O)/C=C/c1ccc(O)cc1)c1cccc(C#N)c1 782437998 BZTHAFZYXLUMQA-RSPDNQDQSA-N 293.322 3.581 30 20 CHED CC(C)(C#N)CCCOC(=O)c1c[nH]c2ccccc12 782621027 SZWGAJVSQLWNOS-UHFFFAOYSA-N 270.332 3.655 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1cc(C#N)cc(Cl)n1 783864076 PEUXDIUTKDRKGH-CMPLNLGQSA-N 276.771 3.831 30 20 CHED COc1cccc(O)c1/C=N/Cc1cccc2cc[nH]c12 786026916 FBTYJYRAMFNGIH-WOJGMQOQSA-N 280.327 3.501 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccnc(Cl)c1 787025372 GGRPXYJDUAXLHN-BDJLRTHQSA-N 297.789 3.945 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCCCCCC1 787422654 BBYPOAZXAFUXLS-QGZVFWFLSA-N 297.402 3.521 30 20 CHED C#CCN(C)C(=O)Nc1ccccc1Oc1ccccc1 788027974 BPNDPDPDYGMHDF-UHFFFAOYSA-N 280.327 3.576 30 20 CHED C#CCC1(C(=O)NCC2CC(C)(C)C2)CCCCC1 788242852 HJLBGVOLHYJQDH-UHFFFAOYSA-N 261.409 3.513 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2cc3ccccc3[nH]2)o1 788425079 MLVZAMYCKBLWTQ-UHFFFAOYSA-N 293.330 3.597 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCC[C@H]2SCC)CCCCC1 788514227 GOGLTXCQTKNMTR-HUUCEWRRSA-N 293.476 3.751 30 20 CHED CCc1cccc(Cl)c1C=NN[C@@H]1CCOC(C)(C)C1 788725677 JADBWCCGKUJQNQ-CYBMUJFWSA-N 294.826 3.784 30 20 CHED Clc1cccc(Cl)c1CCC=NNc1ncccn1 790154214 RKKHXVSCDQUNMP-UHFFFAOYSA-N 295.173 3.814 30 20 CHED Cc1cccnc1NN=C1CCCOc2ccc(F)cc21 790186024 MLSVYHPNSPSMLZ-UHFFFAOYSA-N 285.322 3.518 30 20 CHED Cc1cc(F)ccc1COC(=O)c1ccc(F)c(C#N)c1 790940162 QFVPIGHXKMATNZ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(CCC(F)(F)F)cc1 791200940 MANQSNUVPWHNRB-CQSZACIVSA-N 297.320 3.713 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1ccnc(F)c1 794930099 CUKXDPMPASZWGW-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cccc(CC(C)C)c1 794933340 SQKWQKPQJIIRRC-INIZCTEOSA-N 275.392 3.662 30 20 CHED Oc1nc2ccccc2cc1/C=N/C[C@H]1CCC(F)(F)C1 797398943 SFYJOSUVOPUFKT-VSMYLPJWSA-N 290.313 3.795 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C#N)cc1CC 799441572 YDSFIBRDAJNLEM-UHFFFAOYSA-N 269.344 3.794 30 20 CHED C[C@H]1CC[C@H](C=NNc2ncnc3sccc23)C1 800808758 OZABVXWWAYIJRY-UWVGGRQHSA-N 260.366 3.525 30 20 CHED CCc1ccc([C@H]2CCCCCN2CCO[C@@H](C)C#N)o1 801922910 SNTQSYSQSJAQEN-GOEBONIOSA-N 290.407 3.688 30 20 CHED Cc1ccc(-c2ccc(OCCO[C@H](C)C#N)cc2)cc1 802726384 IYSJWAAUDUDVHH-OAHLLOKOSA-N 281.355 3.970 30 20 CHED N#Cc1sc(NCC23CCC(CC2)C3)nc1Cl 804579192 ONMGOLWLHGYJOT-UHFFFAOYSA-N 267.785 3.660 30 20 CHED CC(C)(C)SCCSc1ccncc1C#N 804667416 FHURYIBDODWUGB-UHFFFAOYSA-N 252.408 3.577 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@H](COCC)C1 806005065 JSBPCIBTMTVMMO-MRXNPFEDSA-N 296.455 3.581 30 20 CHED C#C[C@@H](NC(=O)c1c[nH]cc1-c1ccc(F)cc1)C(C)(C)C 807878771 BLTNBFVXDYYOIE-MRXNPFEDSA-N 298.361 3.599 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2cccc(C)c2s1 808631285 YLRYTSQZOVIAMD-NSHDSACASA-N 259.330 3.669 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(OCCCO)cc1 809714242 CGBIKIAJQFIYJD-CQSZACIVSA-N 263.381 3.605 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCCCCCC1 809925345 IIVPERCUHJEYAL-AWEZNQCLSA-N 276.428 3.748 30 20 CHED C=CCCCCOC(=O)Cc1c[nH]c2ccccc12 811011863 OXACANJNFDILSS-UHFFFAOYSA-N 257.333 3.610 30 20 CHED C#C[C@H](NCc1ccc(CC)o1)c1ccc(Cl)cc1 811517452 SWGNYZMLIOWQDS-INIZCTEOSA-N 273.763 3.960 30 20 CHED C[C@H](NN=C1CCc2ccc(C#N)cc21)c1ccccc1 811639703 GODKHYWHOORWIC-ZDUSSCGKSA-N 275.355 3.559 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1O 811697916 IFPUGPLHFBNFGB-QHHAFSJGSA-N 290.265 3.575 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1occc1C 812243425 MAWFISMBXQEKEC-HYXAFXHYSA-N 260.264 3.632 30 20 CHED Fc1ccc(C(C[C@@H]2CCOC2)=NOCCC2CC2)cc1 814245567 YBXAHWXKCMHVKZ-AWEZNQCLSA-N 291.366 3.773 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(N2CCCC2)cc1C 814767904 ZRKYMFLXSVOTPK-UHFFFAOYSA-N 294.345 3.745 30 20 CHED COCCC(C)=NNc1nc(-c2ccccc2)cs1 814769457 PDGVYZJXZIBHIZ-UHFFFAOYSA-N 275.377 3.634 30 20 CHED CON=C(C)c1ccc2ccccc2c1OC(F)F 814796263 ZGGNPXWKWVWTAQ-UHFFFAOYSA-N 265.259 3.812 30 20 CHED Cc1cc(Cl)cc(C=NN[C@@H]2CCOC(C)(C)C2)c1 814910390 UHQGCGNQGYTUKQ-CQSZACIVSA-N 280.799 3.530 30 20 CHED Cc1cc(F)ccc1C=NNc1ccc(F)c(F)c1F 814946284 JEJTZULCDDCUNN-UHFFFAOYSA-N 282.240 3.997 30 20 CHED CCCCCCCCN1CC[C@]2(CCCN(C)C2)C1 815143415 KJSZMHOTOJASBZ-KRWDZBQOSA-N 266.473 3.765 30 20 CHED C=CCC(F)(F)C(=O)NCCOc1ccccc1C(C)C 815560206 AOTKDOREKHFTLI-UHFFFAOYSA-N 297.345 3.516 30 20 CHED C=CCC(F)(F)C(=O)[C@H](C#N)c1ccc2ccccc2n1 815899032 CPGUOAHJBBOUMZ-GFCCVEGCSA-N 286.281 3.622 30 20 CHED C#CCCCCCc1nc(-c2cccc(SC)n2)no1 817103196 VZFKMTJKRUUJNE-UHFFFAOYSA-N 287.388 3.590 30 20 CHED CCCCCCCC[C@H](C)CC(=O)Nc1ncn(C)n1 817153445 NDNNTGRUHUFPON-ZDUSSCGKSA-N 280.416 3.530 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1noc(C(F)F)n1 819571659 STOBVGIGUJRLRT-VIFPVBQESA-N 289.326 3.545 30 20 CHED C#C[C@@H](NC(=O)N(C(CC)CC)C1CC1)c1ccccc1 820600272 VNIGAMCRBUBXJS-QGZVFWFLSA-N 284.403 3.724 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C(/C)CC 822423400 LATLWDGQLUPZGS-KAMYIIQDSA-N 270.376 3.653 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(C=O)n1C 822696755 CQDMZLHCDCCSTD-UHFFFAOYSA-N 292.423 3.660 30 20 CHED C[C@H]1C[C@H](N[C@H](C)CC(C)(C)C#N)CN1Cc1ccccc1 829179372 LWLDLOVIEDPOGI-RYRKJORJSA-N 299.462 3.567 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)CCCCCC#N)n1 830638116 ZWSFGHCFFWUZCO-ZDUSSCGKSA-N 289.379 3.671 30 20 CHED C#CCCOc1ccc(C(=O)N(CC)CC(C)(C)C)cc1 832313317 HZRRMOVOZXRQMS-UHFFFAOYSA-N 287.403 3.597 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCOc3cc(C)ccc32)c1 834902938 LOGWUAYXQGUNDH-LJQANCHMSA-N 291.394 3.980 30 20 CHED CCc1ccccc1NN=C(C)Cc1ccccn1 834940379 FCMXXNNNVBFQEG-UHFFFAOYSA-N 253.349 3.675 30 20 CHED CC(=NNc1nc(O)c2ccccc2n1)[C@@H]1CCCC[C@H]1C 834962045 UESWDIHIUKPXJM-DGCLKSJQSA-N 298.390 3.950 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2cccnc2)CCCC1 835158883 MGIJNDBIORVUHP-CYBMUJFWSA-N 259.349 3.822 30 20 CHED C=CCC1(C(=O)Oc2ccc3c[nH]nc3c2)CCCC1 835206244 SPXPKZXMQZGJDP-UHFFFAOYSA-N 270.332 3.605 30 20 CHED C=CCC1(C(=O)OCC(F)(F)C(F)F)CCCC1 835256039 ULSUAMBEQOPEFX-UHFFFAOYSA-N 268.250 3.567 30 20 CHED C=CCC[C@@H](C)OC(=O)c1scnc1C(C)C 835269056 VEISTTIUVQXXRW-SNVBAGLBSA-N 253.367 3.778 30 20 CHED C=Cc1ccc(C(=O)OC[C@](C)(C=C)CCOC)cc1 835339120 WUDXHPFLALKWIC-QGZVFWFLSA-N 274.360 3.715 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1cccc(C2CC2)c1 836358144 PJYYXGBZFOECKY-CQSZACIVSA-N 284.403 3.728 30 20 CHED Cc1cccc([C@H]2CCCCCN2C(=O)C#CC2CC2)c1 837427949 VJQGYVMUBYRHOS-GOSISDBHSA-N 281.399 3.852 30 20 CHED CSc1ccsc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839053147 RXFSEEIAKIIQNP-VHSXEESVSA-N 281.402 3.709 30 20 CHED Cc1cccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1C 839058485 RTPNDAHUEWAUTP-ZIAGYGMSSA-N 257.333 3.543 30 20 CHED C=CCCCCCCNC(=O)N[C@@H]1C[C@H]1c1ccco1 840373834 PKKLKJCRKLIMTF-ZIAGYGMSSA-N 276.380 3.571 30 20 CHED CCN(CC)c1ccc(/C=N/Cc2cnccc2C)c(O)c1 840709917 OZPGGXPQFKAJRX-RGVLZGJSSA-N 297.402 3.561 30 20 CHED CCC1(C/N=C/c2cc(Cl)cc(Cl)c2O)COC1 840710125 PNPQKPXWFZYGBI-FZSIALSZSA-N 288.174 3.545 30 20 CHED C=C[C@H](C)ON=Cc1cccc(OCC)c1OC(F)F 844625008 PGXHKLZPHAKKGH-JTQLQIEISA-N 285.290 3.612 30 20 CHED C#CCCCCCOC(=O)c1ccc2ccncc2c1 845505759 COBGTLKGZRHDQJ-UHFFFAOYSA-N 267.328 3.585 30 20 CHED C=C(C)CONC(=O)N[C@@H](C)c1csc2ccccc12 845596537 VSTTUGIRSBWLEX-NSHDSACASA-N 290.388 3.769 30 20 CHED C=C[C@H](C)ONC(=O)N(C)[C@@H](c1ccccc1)C(C)C 845634329 SWOUFKYJELWYPS-DZGCQCFKSA-N 276.380 3.531 30 20 CHED C=C(C)CN(CC)C(=O)NCCC[C@@H]1CC1(Cl)Cl 845665671 ZVLIGLLOHUETGM-LLVKDONJSA-N 293.238 3.568 30 20 CHED Cc1nc2cc(C(=O)O[C@@H](C)CC(C)(C)C#N)ccc2o1 851203962 HWNAZHLWPIAMFP-JTQLQIEISA-N 286.331 3.621 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCCC[C@H]1C 851205005 GAWIQCRLDCLIHQ-JHJVBQTASA-N 251.370 3.684 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc(F)cc(Cl)c1 851210417 VDMQGOCVRRFSTC-SECBINFHSA-N 283.730 3.964 30 20 CHED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C(F)F)nc1 853327770 CJAHLPMQAWWKSG-COPLHBTASA-N 279.334 3.521 30 20 CHED Cc1nc2c(s1)C(=NNc1ccnc(Cl)c1)CCC2 853393719 AHTABOQSUNKCAG-UHFFFAOYSA-N 292.795 3.652 30 20 CHED C#CCCCCCC(=O)NCc1cc2cc(C)ccc2o1 855768727 QWANUDJLLVZVSD-UHFFFAOYSA-N 283.371 3.941 30 20 CHED CC/C(=C/C(=O)N(CC)[C@@H](C)C#N)c1cccc(Cl)c1 856075025 HABJBPIKBOZZPD-IXJPEXDMSA-N 290.794 3.894 30 20 CHED CCCC(=NNc1ncc(Cl)cn1)c1ccsc1 857220779 MYRCIVXIAFXPDF-UHFFFAOYSA-N 280.784 3.808 30 20 CHED C=C[C@@H](OC(=O)c1cc(C2CC2)no1)c1ccccc1 857658488 IOULORSZQMLQTR-CQSZACIVSA-N 269.300 3.636 30 20 CHED C#CCCCCCCOC(=O)[C@@H]1C[C@H]1c1ccco1 860806840 KPGSSSOAXVPCOM-ZIAGYGMSSA-N 260.333 3.510 30 20 CHED C=C(Br)CNC[C@@H](C)c1ccc(C)cc1 862277372 XJXBRIMDQJAJKY-LLVKDONJSA-N 268.198 3.597 30 20 CHED CCCCCCCNC(=O)c1csc([C@H]2CCCO2)n1 862358221 YKEHWBSOUXPJKU-CYBMUJFWSA-N 296.436 3.695 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)C#CC(C)(C)C 862691624 UDBOIBXOCSVRBJ-MRXNPFEDSA-N 271.404 3.564 30 20 CHED CC(C)CCCC=NNc1ccc(CC(=O)O)cc1 863126114 DNRNAOOOXXHPOS-UHFFFAOYSA-N 262.353 3.538 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C3CC3)cc2)CC1 864253139 ONOIAHACNIAOJC-UHFFFAOYSA-N 256.349 3.748 30 20 CHED CC(C)n1nccc1/C=C1\CCc2c(F)cccc2C1=O 865226331 CMSXMRKXWNJKTO-ZRDIBKRKSA-N 284.334 3.816 30 20 CHED Clc1ccnc(NN=CC2([C@H]3CCCCO3)CCC2)c1 872364570 OGBJWIVLFOESBB-CYBMUJFWSA-N 293.798 3.872 30 20 CHED C#C[C@@H](NC[C@H](C)CCC#N)c1ccc(Cl)cc1F 877517886 QTYPMOSAIAXUQB-IAQYHMDHSA-N 278.758 3.683 30 20 CHED C#CCCCCCCNCc1oc(CCC)nc1C 877547713 HNIUNJZHLFORDB-UHFFFAOYSA-N 262.397 3.609 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2ccon2)cc1 886955689 FCEURGKACISSMT-MRXNPFEDSA-N 270.332 3.882 30 20 CHED C#Cc1ccc(C(=O)N(c2ccccc2)[C@@H](C)C(C)C)cn1 894225781 LXFMCBCNQSVGHJ-HNNXBMFYSA-N 292.382 3.754 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ncc(C#N)s1 896494159 AYLUCOWDISDPDU-CYBMUJFWSA-N 299.399 3.531 30 20 CHED N#Cc1cnc(NC(=O)CC(C2CCC2)C2CCC2)s1 896496203 VFSBIIXGYOLYGP-UHFFFAOYSA-N 289.404 3.560 30 20 CHED C=C[C@](C)(CC)c1nc(CCOCc2ccccc2)no1 896523349 HIBPDKBLILGRJJ-QGZVFWFLSA-N 286.375 3.683 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1ccc(F)c(F)c1 899342205 RTLWWNOPQCIUHO-QPJJXVBHSA-N 288.297 3.782 30 20 CHED Cc1nc(/C=C2/C(=O)c3ccsc3S[C@H]2C)[nH]c1C 901477995 RIIULKIRNWGKNE-CAXXOGMASA-N 290.413 3.849 30 20 CHED Cc1ccc(/C=C\C(=O)c2cn(C(C)C)nn2)c(Cl)c1 901530742 QVQJFSYAGPSKMT-SREVYHEPSA-N 289.766 3.717 30 20 CHED CC[C@@H](NCCCCn1ccnc1C)c1cccc(C#N)c1 902819979 YVCNSKUADSIHJJ-GOSISDBHSA-N 296.418 3.584 30 20 CHED CC[C@@H](NCCc1ccncc1C)c1cccc(C#N)c1 902888565 UBCFPDGAXGOYKG-GOSISDBHSA-N 279.387 3.545 30 20 CHED Cc1cc(C)cc(C2(C(=O)Oc3ccc(C#N)cc3)CC2)c1 916852229 UEELJESIGRIZFG-UHFFFAOYSA-N 291.350 3.812 30 20 CHED CCCCCCC(=O)OCc1cn2ccccc2c1C#N 919232945 YERFBCZCFDQOFB-UHFFFAOYSA-N 284.359 3.825 30 20 CHED CC(C)CCN1CCC(N[C@@H](C)c2ccc(C#N)cc2)CC1 924784242 CMFDLYABNWPDJY-INIZCTEOSA-N 299.462 3.719 30 20 CHED CC(C)CCN1CCC(N[C@@H](C)c2cccc(C#N)c2)CC1 925185534 MJYCLAPRHBWRPL-INIZCTEOSA-N 299.462 3.719 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCCc2cccnc21 927380728 DMDOJGRVWUWDCK-CQSZACIVSA-N 287.407 3.503 30 20 CHED N#CCc1ccc(NC(=O)N(Cc2ccoc2)C2CC2)cc1 929428875 XBLNXBYOWOHPCX-UHFFFAOYSA-N 295.342 3.542 30 20 CHED CC(C)(C)[C@@H]1CN(CCCCC2(C#N)CCC2)CCO1 930268036 LYHVMTKNMLQHDW-HNNXBMFYSA-N 278.440 3.597 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1CCCOc2ccccc21 931362247 HWRBRSMSIDSSNH-DZGCQCFKSA-N 273.376 3.619 30 20 CHED N#CC1(CCN2CCC(c3ncco3)CC2)CCCCC1 931445740 MRSNICIBRDJTGK-UHFFFAOYSA-N 287.407 3.718 30 20 CHED C[C@@H](CCC#N)N1CCC[C@H](c2nc3c(s2)CCC3)C1 932191763 OLHLSKVGBSHRAK-STQMWFEESA-N 289.448 3.503 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC2(CC1)OCc1ccccc12 934692532 RYVBMEKFVSVVSL-OAHLLOKOSA-N 299.414 3.637 30 20 CHED Cc1c(CNc2cccc(CC#N)n2)oc2ccc(F)cc12 1116662466 YHNQVBGFZFZODV-UHFFFAOYSA-N 295.317 3.954 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@H](CC#N)c2ccco2)c1 1123369353 MHKXPYIYBZOJSA-ZMSDIMECSA-N 295.338 3.890 30 20 CHED C=C[C@H](C(=O)NC[C@H]1CCC(F)(F)C1)c1ccccc1 1123871350 IEDOTJIWLXDDMZ-JSGCOSHPSA-N 279.330 3.508 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2c(F)cccc2Cl)c1 1128010702 JKAZZGGQBCQONN-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)CC(C)(C)c2ccccc2)n1 1162321254 OEONBQMATPICKV-ZDUSSCGKSA-N 294.402 3.825 30 20 CHED N#CCc1cccc(NCc2nccc3ccccc23)c1 1178737554 UQAWUNOZJKWTPS-UHFFFAOYSA-N 273.339 3.913 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc2ncccc12 1191366147 DVLFNZDGLYYIFZ-UHFFFAOYSA-N 281.403 3.997 30 20 CHED CC1(C)C(CNC(=O)Nc2cc(F)cc(C#N)c2)C1(C)C 1219799140 HGQMQNJQOCCFSP-UHFFFAOYSA-N 289.354 3.501 30 20 CHED C=C[C@H](COC)N[C@H]1CCCc2c1[nH]c1ccc(C)cc21 1261139210 IUDSYNZJALZZFH-DYVFJYSZSA-N 284.403 3.644 30 20 CHED COc1ccc(COc2ccc(C#N)c(C)c2)cc1C 1307338077 RWSILWGPTBZVDC-UHFFFAOYSA-N 267.328 3.763 30 20 CHED CC(C)(C)ON=Cc1ccc(F)cc1Br 1319582788 FSDDCNYKDWLYBJ-UHFFFAOYSA-N 274.133 3.737 30 20 CHED CCC(=NNc1cncc(Br)c1)C(C)C 1319732798 MVAWMGFBXNPPGB-UHFFFAOYSA-N 270.174 3.678 30 20 CHED N#CCc1cccc(N[C@@H]2CCCOc3c(F)cccc32)n1 1320359011 CMNZOVISYMNSJZ-OAHLLOKOSA-N 297.333 3.613 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H](C)c1cccc(F)c1 1325218647 UJBXMBBALULIOK-GFCCVEGCSA-N 283.302 3.924 30 20 CHED N#Cc1cc(C(=O)OCCCCC(F)(F)F)cs1 1326735619 IDHHRSJYUQTYLG-UHFFFAOYSA-N 277.267 3.509 30 20 CHED CCn1c(C)cc(-c2nnc(-c3cccc(C#N)c3)o2)c1C 1328430269 ZFAZPFZHQKBTSS-UHFFFAOYSA-N 292.342 3.714 30 20 CHED CC[C@](C)(C#N)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 1330074803 NPQKULVSCZIOKR-XPSVCEGCSA-N 285.391 3.729 30 20 CHED C[C@@H](COCc1ccccc1)CSCC1(C#N)CC1 1332447523 HFQIXJWUPKLRMV-AWEZNQCLSA-N 275.417 3.876 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 1332863027 RYBGVJAMQTUSJB-KRWDZBQOSA-N 298.430 3.992 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCCC(F)F 1334813159 MKRFKUPUHOVJMH-AWEZNQCLSA-N 264.319 3.571 30 20 CHED CC(CCC1CCCC1)=NNc1ccc(C#N)cn1 1337005951 AQTUDAXXCZSUEJ-UHFFFAOYSA-N 256.353 3.711 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(C)cnc1Br 1340810892 UAKRTLJGSWAEID-JTQLQIEISA-N 297.196 3.693 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2ccc(OCC)cc2C1 1341722010 DDLVJKNYFJKSLM-CQSZACIVSA-N 287.403 3.572 30 20 CHED Cc1cc(C=NNc2ccn(C)n2)c(C)n1C1CCCCC1 1343529619 ORGWZGBVASJCNC-UHFFFAOYSA-N 299.422 3.790 30 20 CHED CCC[C@H](C)C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1346150511 KRMXJRXGBJPUQC-UWVGGRQHSA-N 289.766 3.829 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)CC(C1CCC1)C1CCC1 1347339543 YKAYTTLCPVUPFW-INIZCTEOSA-N 299.418 3.686 30 20 CHED N#C[C@H](NC(=O)CC/C=C/c1ccccc1)C1CCCC1 1350306275 UTHGHNJAOSLLBB-COKXLDBZSA-N 282.387 3.679 30 20 CHED N#Cc1cccc(NC(=O)c2ccsc2C(F)F)c1 1350657951 ROWGQXDLEGWSHP-UHFFFAOYSA-N 278.283 3.810 30 20 CHED CCc1ccc2occ(C(=O)N(CC)[C@@H](C#N)CC)c2c1 1355089210 SKRDNGMHFMRWFU-CYBMUJFWSA-N 284.359 3.759 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1cccc(CC#N)c1 1436284486 GPHSUNZULXTVAS-AWEZNQCLSA-N 278.355 3.803 30 20 CHED N#Cc1cnc(NCc2csc3ccccc23)c(F)c1 1458109221 DSCXSEHBYRNDEH-UHFFFAOYSA-N 283.331 3.919 30 20 CHED N#Cc1cnc(Nc2cccc(CC(F)(F)F)c2)c(F)c1 1458222377 VTDNMLCUUJQGIA-UHFFFAOYSA-N 295.239 3.941 30 20 CHED CC(C)[C@@]1(C)C[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1465889054 IUNNGHTZFABNOD-UKRRQHHQSA-N 291.782 3.768 30 20 CHED Cc1ccnc(N[C@H]2CCC[C@H](C(C)C)C2)c1C#N 1472689179 VZSYDEHUFXBTRC-KBPBESRZSA-N 257.381 3.888 30 20 CHED Cc1ccccc1CCN(C)c1ncc(C#N)cc1Cl 1472792332 RGUXBIKYKXGTGI-UHFFFAOYSA-N 285.778 3.594 30 20 CHED C=C(CNC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 1527982024 ZUWPZGBOILPCFH-JKIFEVAISA-N 271.404 3.888 30 20 CHED CCOc1ccc([C@H](C)OC(=O)CC(C)(C)C#N)cc1 1531947672 MDNOSUYETUARME-LBPRGKRZSA-N 275.348 3.629 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1 1535146580 XJWRAURZVGKXOV-KRWDZBQOSA-N 294.329 3.830 30 20 CHED C=C(CCC(=O)O)C(=O)N(CCCC)[C@H]1CCC[C@@H](C)C1 1588612845 YLOOFOOHJAEMOQ-HIFRSBDPSA-N 295.423 3.615 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C(=O)O)c(F)c1 1588770525 ANXBHXOVHASSGZ-BBRMVZONSA-N 291.366 3.748 30 20 CHED CC(C)c1cccc(Oc2ccc(C(=O)O)nc2C#N)c1 1591994796 SWIUMCOCCLDICD-UHFFFAOYSA-N 282.299 3.567 30 20 CHED Cc1cc(C)c(NN=Cc2cc(C(=O)O)c(C)o2)c(C)c1 1607620987 NRDXEAZKWLRLPX-UHFFFAOYSA-N 286.331 3.657 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H](C)C(C)(C)C)c1C#N 1611900423 AZDDTZOVVARITL-SNVBAGLBSA-N 265.788 3.786 30 20 CHED C[C@]1(c2ccccc2)CCCN(Cc2cccc(C#N)n2)C1 1621164302 WXTHVWADXGRPLO-IBGZPJMESA-N 291.398 3.507 30 20 CHED C[C@@H](CNc1nc(C#N)c(Cl)s1)C(C)(C)C 1640415873 UETWZITUMNGJSR-ZETCQYMHSA-N 257.790 3.762 30 20 CHED C=C(Cl)CN1C[C@H](C)Oc2c(Cl)cccc21 1643026239 LNVXBOKUHJRCBM-VIFPVBQESA-N 258.148 3.680 30 20 CHED N#Cc1ncccc1SCCc1ccc(F)c(F)c1 1651983952 LAUUMHHGQBEOMB-UHFFFAOYSA-N 276.311 3.566 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCCc2ccccc2)n1 1656663887 KMRISDWDZPJNDL-UHFFFAOYSA-N 280.371 3.872 30 20 CHED O=C(O)c1cc(NN=Cc2cccc3ccoc23)ccc1F 1776063001 VVUNMWCVUVTDAT-UHFFFAOYSA-N 298.273 3.716 30 20 CHED CCCON=Cc1ccc(-c2cccc(CC(=O)O)c2)cc1 1776082738 NPOSFQITKDLKPK-UHFFFAOYSA-N 297.354 3.741 30 20 CHED Cc1c(NN=C2CCC[C@@H](C(F)F)C2)cccc1C(=O)O 1776088420 KXZDBLXYTKVASG-SNVBAGLBSA-N 296.317 3.916 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@@H]2CCC=CCCC2)C1 1776153557 KSGPDZOKYXJFDG-AEFFLSMTSA-N 291.435 3.866 30 20 CHED C=CC[C@]1(C(=O)O)CCN(Cc2cc(C)cc(Cl)c2)C1 1776161958 JKMPUSVPWYVESV-INIZCTEOSA-N 293.794 3.501 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccccc1C(=O)O 1776179281 BYJGKZFIRWNFLX-UHFFFAOYSA-N 295.382 3.616 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 10516468 LCEILFSXRJADCN-GJZGRUSLSA-N 296.757 3.954 30 20 CHED Cc1ccccc1OCCN(C)Cc1ccc(C#N)cc1F 53906627 UAFOCFKTMFGLFK-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(N(C)C)cc1 177857328 DEKCXKPVRVEUHE-CYBMUJFWSA-N 297.377 3.614 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1cccc(C)c1 116971712 XJBUEBQPHVTFSO-HOCLYGCPSA-N 272.392 3.806 30 20 CHED C=CC[C@H](C)NC(=O)c1sc(-c2ccccc2)nc1C 116852546 XNIOZQNHUATBAC-NSHDSACASA-N 286.400 3.813 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)CCc2ccc(C#N)cc2)C1 173655919 LOTJGADYEZBGLR-IBGZPJMESA-N 298.430 3.920 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(F)cc1F 50884859 XKJSOJGKROMVSZ-UHFFFAOYSA-N 289.281 3.814 30 20 CHED C=CC[C@H](C)NC(=O)Cc1ccc(-c2ccccc2)cc1 116863720 VWIYWXCDKSCHKV-HNNXBMFYSA-N 279.383 3.977 30 20 CHED Cc1ccn2cc(CNc3ccc(Cl)cc3C#N)nc2c1 68429814 LCVGWXXQXQGQLO-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CC1=CCCCC1 106636832 YIPLAJVOWKWPBP-UHFFFAOYSA-N 294.398 3.963 30 20 CHED N#Cc1ccc(OCCNc2ccc3scnc3c2)cc1 170642234 BOMCPTJJIJKICE-UHFFFAOYSA-N 295.367 3.659 30 20 CHED CC(C)CCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 175013985 FYDQYGYCOHGNFI-UHFFFAOYSA-N 297.320 3.609 30 20 CHED Cc1ccc(N/C(N)=N/CCc2cc3ccccc3o2)cc1 304742267 CPCLXINZTZCMSE-UHFFFAOYSA-N 293.370 3.711 30 20 CHED N#C[C@H](Sc1nncn1-c1ccccc1)C1CCCCC1 115185028 XOBYTOIAJPSGPO-HNNXBMFYSA-N 298.415 3.832 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1Nc1ccc(F)cc1C#N 302407759 HUBPYJDULHMNRD-CVEARBPZSA-N 276.355 3.703 30 20 CHED C#CCCCCc1nc(CCCc2ccccc2)no1 179624834 BOWWMNLLLHLFTH-UHFFFAOYSA-N 268.360 3.591 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2F)[C@@H]2CCCC[C@H]12 302191894 RIKMZHQOSIBQKY-UXIGCNINSA-N 258.340 3.712 30 20 CHED N#CCC1(COC(=O)[C@H]2C[C@]23CCCc2ccccc23)CC1 174730434 YFIQWZGSHAENRE-APWZRJJASA-N 295.382 3.518 30 20 CHED C=CCSCCNc1nc(C(F)F)nc2ccccc12 301181889 BRHJDAQRPOGTSS-UHFFFAOYSA-N 295.358 3.899 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CCC2CCCC2)C1 116802471 RGGCXQZCYTYLNE-XJKSGUPXSA-N 262.397 3.545 30 20 CHED C[C@H](C#N)CN(C)Cc1csc(-c2ccc(F)cc2)n1 66469100 SOBXBJPEUPKVQR-LLVKDONJSA-N 289.379 3.541 30 20 CHED O=C(Cc1cccs1)OCC#Cc1ccc(Cl)cc1 177891900 LAABQBXWQCDJLG-UHFFFAOYSA-N 290.771 3.539 30 20 CHED C=C(C)CSCC(=O)N(C)[C@@H]1CCCc2ccccc21 177864707 XVQKXWGWTREFCU-MRXNPFEDSA-N 289.444 3.832 30 20 CHED CC(C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 66953998 CEUGWCUQJYQTFA-LLVKDONJSA-N 277.393 3.611 30 20 CHED CCN(C(=O)c1cc(F)ccc1F)c1ccc(C#N)cc1 174075659 NSYONVLBEORGNE-UHFFFAOYSA-N 286.281 3.503 30 20 CHED CCN(CC#N)C(=O)c1sc2ccccc2c1Cl 67687777 IMGRZHHEBSVVSW-UHFFFAOYSA-N 278.764 3.540 30 20 CHED Cc1ccc(N/C(N)=N/CC(C)(C)c2ccccc2F)cc1 303978237 MDSBBEKFZZHHJP-UHFFFAOYSA-N 299.393 3.839 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@H]2[C@H](C1)C2(C)C 178540259 CWXNHSYRHBQBGF-HOTGVXAUSA-N 268.404 3.576 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 409643405 CFIHHCDYLQLGPI-NSHDSACASA-N 295.289 3.704 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc(Cl)c(Cl)c2)C1 179926966 NAJQCBDTWZTUTL-WCBMZHEXSA-N 284.142 3.842 30 20 CHED CC[C@H](C#N)Oc1cccc(CNc2ccnc(C)c2)c1 302568022 OHTDDVOBKQWNOQ-MRXNPFEDSA-N 281.359 3.683 30 20 CHED N#Cc1cc(F)ccc1N1CCc2cc(Cl)ccc2C1 302728145 QHDHOAULWRFNPN-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CC[C@H](Cc1ccccc1)N(CC)CCCSCC#N 120627270 WPDOUFWPPGJGCB-QGZVFWFLSA-N 290.476 3.976 30 20 CHED N#CCCCCSc1nnc(NCc2ccco2)s1 122500286 MMOFXQFRWNLFJQ-UHFFFAOYSA-N 294.405 3.529 30 20 CHED Cc1ccccc1C(C)(C)CNc1cccc(C#N)n1 301272327 KNBJVVCRYDUSHK-UHFFFAOYSA-N 265.360 3.651 30 20 CHED N#CCCSc1ccccc1NCC[C@@H]1CCCO1 189645545 MYTOULJZSXFNFE-ZDUSSCGKSA-N 276.405 3.673 30 20 CHED CCN(Cc1c(C)oc2ccccc12)C[C@H](C)C#N 120501311 MOPUXEDPXLJLPG-GFCCVEGCSA-N 256.349 3.723 30 20 CHED C=CCSCCN[C@@H](C)c1cc(OC)c(OC)cc1C 180459524 BGHFVWIHCOKXLF-ZDUSSCGKSA-N 295.448 3.582 30 20 CHED Cc1cc(F)cc(-c2noc(C3(C#N)CCCCC3)n2)c1 408226632 RKTBBNCXCCQQSB-UHFFFAOYSA-N 285.322 3.910 30 20 CHED C=CC[C@H](C(=O)N1CCc2sccc2C1)c1ccccc1 186369777 SDUPREYIBVCLJZ-INIZCTEOSA-N 297.423 3.993 30 20 CHED C=CCCCOc1ccc(Br)c(C=O)c1 149680046 MXEMKRKHYIMCOD-UHFFFAOYSA-N 269.138 3.607 30 20 CHED CC(C)(C)OCCSCCCOc1cccc(C#N)c1 125215780 GIQFGNBDKKJQDD-UHFFFAOYSA-N 293.432 3.875 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(F)c(OC)c(F)c1 182996414 YBPURJJAPIFZNV-SNVBAGLBSA-N 298.333 3.840 30 20 CHED COc1ccc(/C=C/C(=O)c2sccc2OC)cc1 39208757 WNFNMCWTBURAAI-VMPITWQZSA-N 274.341 3.661 30 20 CHED CCCC(CCC)C(=O)Nc1cnc(C#N)c(Cl)c1 411036888 YPJVIYJYTXUZRW-UHFFFAOYSA-N 279.771 3.762 30 20 CHED C=CCn1c(SC2CCCC2)nc2sccc2c1=O 508525281 DUGAURREXWFJQT-UHFFFAOYSA-N 292.429 3.679 30 20 CHED C=C1CCN(C(=O)[C@H]2CC(C)(C)Oc3ccccc32)CC1 412044412 OLNDZVYPQYCGAH-HNNXBMFYSA-N 285.387 3.510 30 20 CHED CCCCN(CC)C(=O)Nc1ccccc1O[C@H](C)C#N 180099405 XOHLPQQTVLZYFY-CYBMUJFWSA-N 289.379 3.631 30 20 CHED C=CCN(Cc1csc(C)n1)Cc1ccccc1F 76721657 HHBFCHLWZNAVIX-UHFFFAOYSA-N 276.380 3.779 30 20 CHED CCCC[C@@H](CC)CC(=O)N(C)[C@@H](C#N)CCC 410826562 IODZVOLJCFATGQ-ZIAGYGMSSA-N 252.402 3.744 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CC2(C)CCCCC2)n1 125898826 AWATZEFUUVTYAI-LBPRGKRZSA-N 276.405 3.988 30 20 CHED CC(C)CC1(C(=O)N2CCc3cc(C#N)ccc32)CCC1 416010041 GLVYOGURTULPFT-UHFFFAOYSA-N 282.387 3.664 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)c1ccccc1 509059919 GSQWVHWSTJPCSP-UHFFFAOYSA-N 264.328 3.533 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCCCF 377131316 UIONNAHCKAVHEY-CVEARBPZSA-N 260.356 3.508 30 20 CHED C=CCn1nnnc1S[C@@H](C)c1ccc2ccccc2c1 505895531 XZWCUZQOUDFRHP-LBPRGKRZSA-N 296.399 3.866 30 20 CHED C=CC[C@@H](CC)NCc1cn(-c2cccc(F)c2)nc1C 414443064 IANMWSMWSCIXSQ-MRXNPFEDSA-N 287.382 3.764 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc(Br)cc2)C1 185799832 LOBDTWMQQPJCTK-OCCSQVGLSA-N 293.208 3.621 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 508249885 SRRFUYVKRLGTGK-GDBMZVCRSA-N 285.391 3.895 30 20 CHED C=CC[C@@H](C(=O)N(CCC)CCC)c1ccccc1 186445661 OAQLJWLRYPKKQK-MRXNPFEDSA-N 259.393 3.995 30 20 CHED Cc1ccc(F)c(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1 79219417 JFQQQEMDXBUYIA-OAHLLOKOSA-N 297.329 3.673 30 20 CHED N#CCCCCNC(=O)N[C@@H](CC1CCC1)c1ccccc1 180992510 RZZPWJKICSJRSS-KRWDZBQOSA-N 299.418 3.911 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)CSc2ccccc21 186090150 AKFOWVBWZKAZSD-CQSZACIVSA-N 287.428 3.955 30 20 CHED CCS[C@H]1CCC[C@@H](Nc2ncc(C#N)cc2F)C1 413172876 OMEIBFMFVUCKFW-NEPJUHHUSA-N 279.384 3.569 30 20 CHED CCCCSCCC(=O)N[C@@H](C)c1cccc(C#N)c1 75274395 MMHGZLOLYRCICQ-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED COc1ccc(C#N)cc1NCc1cccc(OC(C)C)c1 501002764 VHCPYMWVJSIWCM-UHFFFAOYSA-N 296.370 3.966 30 20 CHED CCCC(=O)Nc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 185781352 MKNJVZWFNXXBJN-DOTOQJQBSA-N 299.418 3.597 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)c(-c2ncco2)c1 181809854 STVKRLVFONQCFD-UHFFFAOYSA-N 285.347 3.690 30 20 CHED C[C@@H](CCC#N)Sc1n[nH]c(/C=C\c2ccccc2)n1 412987618 JUTXNOXOBSDKBU-PRDAAYKISA-N 284.388 3.759 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 45935049 ACVWQYSWJSHRDS-UHFFFAOYSA-N 283.346 3.583 30 20 CHED Cc1coc2ccc(N/C(O)=N/[C@@H]3CC[C@@H](F)C3)cc12 329229808 CYPIDMNHBMMVGL-GHMZBOCLSA-N 276.311 3.958 30 20 CHED CCC1CC(=O)C(=CNc2cc(C)cc(C)c2)C(=O)C1 194957509 JGJMTICBBQMNEE-UHFFFAOYSA-N 271.360 3.557 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(F)c2ccccc12 410833394 GRXBSAQPHKKENZ-GFCCVEGCSA-N 284.334 3.743 30 20 CHED Cc1ccc(C#N)c(N2CC[C@@H](c3ccccc3)[C@@H](C)C2)n1 500290286 QPYIKDPMYUGDMH-KBXCAEBGSA-N 291.398 3.892 30 20 CHED Cc1ccc(N=C(O)C2(C3CC3)CCOCC2)c2[nH]ncc12 329733869 JZCWPFCGQPWEKC-UHFFFAOYSA-N 299.374 3.666 30 20 CHED N#Cc1c(F)cccc1OCc1nc2ccc(F)cc2o1 132207305 TVZUAASJDZPEHG-UHFFFAOYSA-N 286.237 3.557 30 20 CHED C=CCC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CCC1 191852081 QDWAUCBZMAJWDV-UHFFFAOYSA-N 274.320 3.588 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(F)c(F)cc1F 426551314 YZGHTGFMYCNSRU-NSHDSACASA-N 255.283 3.644 30 20 CHED C=CCCOCCNCc1cc(Cl)ccc1Cl 229880523 INEGVXZHQARSKF-UHFFFAOYSA-N 274.191 3.676 30 20 CHED CCOc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1Cl 86283215 PEBZQHFNXRWRCM-JTQLQIEISA-N 295.770 3.505 30 20 CHED N#Cc1cccc(CNc2nc(-c3ccccc3)ns2)c1 134427526 YIHIOHOWXJRTDP-UHFFFAOYSA-N 292.367 3.689 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@H]1CC[C@H](C)CC1 328891638 SVTNLZHOSOOSPW-HOMQSWHASA-N 293.436 3.909 30 20 CHED CCCc1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1 194011627 CKBVYDUXGQHYRN-UHFFFAOYSA-N 293.370 3.561 30 20 CHED CCOC1(C)CCN(c2ccc(C#N)c(Cl)c2)CC1 291847953 MFRBIXRCWULKQB-UHFFFAOYSA-N 278.783 3.607 30 20 CHED Cc1nccc(N=C(O)[C@H]2CCCc3sccc32)n1 329595926 IIWJJXPKWUIQDI-NSHDSACASA-N 273.361 3.555 30 20 CHED CC(=C/c1ccccc1)/C=C1/CCc2[nH]c(=O)ccc2C1=O 133315081 RKYXNEBEJXAWDV-LJACRCCUSA-N 291.350 3.534 30 20 CHED C=CCC1(C(=O)NCc2ccccc2OC(F)F)CCC1 191630663 ABXNMKIHCCPICM-UHFFFAOYSA-N 295.329 3.651 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2ccccc2C1 131639877 IPYPIPLZYWFARN-UHFFFAOYSA-N 269.388 3.730 30 20 CHED CCN(C[C@@H](C)C#N)C[C@H](OC(C)C)c1ccccc1 428424820 SRGJMRJOZCYMRX-RDJZCZTQSA-N 274.408 3.634 30 20 CHED N#Cc1ncccc1SCCCOCCc1ccccc1 517586316 MTGRNGUEDFXYQN-UHFFFAOYSA-N 298.411 3.695 30 20 CHED CCc1nc(C)ccc1OCc1ccc(C#N)cc1F 190768800 BBENUMJDMKTCFJ-UHFFFAOYSA-N 270.307 3.542 30 20 CHED CC(C)C[C@@H](NC(=O)NCCC#N)c1ccc(Cl)cc1 426457731 ZFTFKYRMRPARLN-CQSZACIVSA-N 293.798 3.640 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc2c(c1)CNC2 423376965 JPDBSOIWUUEEFJ-CQSZACIVSA-N 258.409 3.514 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(C)(C)C1CCC1 425630728 AGSYLOHWUOYUGR-ZDUSSCGKSA-N 284.403 3.904 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1ncc(C#N)cc1Cl 427898296 AFNKIRHBQYLTID-NSHDSACASA-N 293.798 3.551 30 20 CHED OC(=Nc1nc2cccnc2[nH]1)[C@H]1C[C@@H]1C1CCCCC1 330294485 FGPOLDACWZBXTJ-NEPJUHHUSA-N 284.363 3.762 30 20 CHED CCC1(/N=C(/O)C[C@@H]2Oc3ccccc3N=C2O)CCC1 330059696 LLCUVHIKCMGWPV-ZDUSSCGKSA-N 288.347 3.715 30 20 CHED CC[C@@H](C)NC(=O)[C@H](C)S[C@@H](C)c1cccc(C#N)c1 190906595 DFXVYFCBOIYLRH-AGIUHOORSA-N 290.432 3.656 30 20 CHED C[C@H]1CCC[C@H](c2noc(Cc3ccc(C#N)cc3)n2)C1 230997513 GNWJEMWKCSRVRS-WFASDCNBSA-N 281.359 3.826 30 20 CHED CC[C@@H]1OCCC[C@@H]1C(O)=Nc1scnc1C1CC1 330250284 MXVJNVPPJUBMKL-QWRGUYRKSA-N 280.393 3.814 30 20 CHED CC(C)N(C(=O)CCCC#N)[C@H](C)c1ccsc1 421692258 OQYQYMKTLPZQRG-GFCCVEGCSA-N 264.394 3.740 30 20 CHED CCOc1cc(Cl)ccc1CNc1cnccc1C#N 91671950 DXPQLPPUKXZYEG-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(Cl)o1 93101075 FLQTZEAVYNATIH-UHFFFAOYSA-N 254.761 3.695 30 20 CHED C=CCC[C@@H](NCCCN1CCC(C)CC1)c1ccco1 513754676 MNWFSWFBYZOMOT-QGZVFWFLSA-N 290.451 3.999 30 20 CHED CC(C)(C#N)CNC(=O)N1CCCCC[C@H]1c1ccccc1 512798465 UNNVGMSVYJPMPV-INIZCTEOSA-N 299.418 3.863 30 20 CHED C=CC1CCN(Cc2cccc(OC)c2OC(F)F)CC1 93359234 DTGOAEXDVXNFCH-UHFFFAOYSA-N 297.345 3.695 30 20 CHED N#Cc1cccc(C2(C(=O)Nc3ccc(F)cc3F)CC2)c1 334640788 FCGYNESGIYDFTC-UHFFFAOYSA-N 298.292 3.507 30 20 CHED C=C(C)CN1CCC(NC2CCC(C(C)C)CC2)CC1 236586770 LQZFTTGWXQFLIG-UHFFFAOYSA-N 278.484 3.831 30 20 CHED CC(C)O[C@H](CN(C)CC(C)(C)C#N)c1ccccc1 433299961 CTLHPDIKJHWZCT-MRXNPFEDSA-N 274.408 3.634 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)C(=O)c2ccc(C#N)o2)c1 335316704 UVBAYZYEUGUUCJ-ZDUSSCGKSA-N 282.343 3.601 30 20 CHED C=CC[C@@H](C)NCc1c(F)ccc(Br)c1F 230310613 IWDRPFDKTKQMRK-MRVPVSSYSA-N 290.151 3.782 30 20 CHED C=C(C)COCCN[C@H]1CCCc2c(Cl)cccc21 349531848 ASWCCKIQKDLEBA-INIZCTEOSA-N 279.811 3.900 30 20 CHED C[C@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1Br 245539187 HLIIYGXXAQCCEV-MNOVXSKESA-N 293.208 3.551 30 20 CHED N#Cc1cccc(C2(NCc3ccc4ccccc4n3)CC2)c1 341241659 YNCLEBNGHNDMCI-UHFFFAOYSA-N 299.377 3.885 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cccc(O)c1 349963895 PIMDGQLLKZMKEP-UHFFFAOYSA-N 285.368 3.923 30 20 CHED COc1c(F)cc(F)cc1NCc1ccc(CC#N)cc1 342557415 MNDMVJJLPJXXNN-UHFFFAOYSA-N 288.297 3.652 30 20 CHED C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 248410640 DHSHMVRXKQPQME-JLSDUUJJSA-N 296.414 3.528 30 20 CHED C[C@@H](CCC#N)CNCCSc1ccc(Cl)cc1 602503407 OKGCWNNQWRTXSW-LBPRGKRZSA-N 282.840 3.962 30 20 CHED N#Cc1ccc(S[C@@H]2CCO[C@H](c3cccnc3)C2)cc1 600520299 ILPPXKDOJBQQRY-SJORKVTESA-N 296.395 3.966 30 20 CHED Cc1cccc([C@@H]2CCCN2CC2(C#N)CC2)c1C 343319739 JDXCRWMBYQLJTC-INIZCTEOSA-N 254.377 3.744 30 20 CHED CCC[C@@H](C(=O)N(C)[C@H](C)C#N)c1cccc(Cl)c1 602339106 HUKFRWQQJQTPLA-BXUZGUMPSA-N 278.783 3.594 30 20 CHED CC(C)c1ccc(NC(=S)NN=Cc2cccnc2)cc1 254617968 GEVRTVJUOPFFBN-UHFFFAOYSA-N 298.415 3.526 30 20 CHED N#Cc1ccc(/C=C\c2cc(Cl)ccc2F)nc1 255710694 HNQUAEYNUNLTLC-DJWKRKHSSA-N 258.683 3.916 30 20 CHED CC(C)Cc1ccc(C(=O)N[C@@](C)(C#N)CC(C)C)cc1 604546129 FDRKFLGMALTCOB-GOSISDBHSA-N 286.419 3.943 30 20 CHED C=CC[C@H](CC)NCc1cnc(C2CCC2)s1 341543805 YOLYYDHDKKACLQ-LBPRGKRZSA-N 250.411 3.855 30 20 CHED CCCC[C@H](C)C(=O)N(CC#N)c1ccc(F)cc1C 602392590 OFGOSAKKNOYVMD-LBPRGKRZSA-N 276.355 3.817 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(CC#N)cc1 340069787 PHGPFIHRRAXOIS-UHFFFAOYSA-N 290.366 3.581 30 20 CHED C=CCCCCCN(C)CCC(=O)Nc1cccc(F)c1 606902232 AHAIYIZCAMIBNQ-UHFFFAOYSA-N 292.398 3.833 30 20 CHED CCO[C@@H]1C[C@@H](NC[C@@H](C)CCC#N)C12CCCCC2 602546703 KNCSSFBUKQLQDS-ARFHVFGLSA-N 278.440 3.644 30 20 CHED COc1cc(CNC(C)(C)c2cccc(C)c2)ccc1C#N 440829423 WEKMZBVGZVQAPQ-UHFFFAOYSA-N 294.398 3.900 30 20 CHED CCN(Cc1ccccc1Cl)c1cc(C#N)ccn1 341523021 HLTSGTRQDDGLNW-UHFFFAOYSA-N 271.751 3.633 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C)cc(CN(C)C)c1 443058174 MJUSYILKDKGDOD-QGZVFWFLSA-N 274.408 3.597 30 20 CHED N#Cc1ccc(Cl)cc1OCCCC1CCOCC1 447796096 SGNKTMHPQRHPJR-UHFFFAOYSA-N 279.767 3.797 30 20 CHED C=C(C)CCN[C@H](C)CC(=O)Nc1cccc(Cl)c1 449472886 GMPJHQBPGFHJBJ-GFCCVEGCSA-N 280.799 3.613 30 20 CHED Cc1cc(C)cc(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 447912429 JZAVWCFJAUXEOR-RBUKOAKNSA-N 298.430 3.731 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](c2cccc(F)c2)C1 602462875 DJCJMKKMDPOGTG-DZGCQCFKSA-N 260.356 3.555 30 20 CHED C[C@@H]1CCC[C@H](CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)C1 447924820 XOAUIRBNNYMWJK-OWSLCNJRSA-N 290.451 3.740 30 20 CHED Cc1nscc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 358307251 GBYZTKPXNNWLQN-UHFFFAOYSA-N 299.399 3.626 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)CCC1CCCCC1 604899492 HORMFSGFUFAGPW-KGLIPLIRSA-N 266.429 3.999 30 20 CHED Cc1nc(CSc2cccc(C#N)c2)c(C)s1 443514661 HGFFRNNODUHKCC-UHFFFAOYSA-N 260.387 3.924 30 20 CHED Cc1ncc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)s1 601298551 BJKKVRHDXLCGKZ-BONVTDFDSA-N 283.400 3.661 30 20 CHED C=CCC1(NCc2ccc(COC)o2)CCCCC1 449575196 LEGFLYAMLVMWLH-UHFFFAOYSA-N 263.381 3.795 30 20 CHED Cc1cc(CNc2cccc(-c3cc[nH]n3)c2)ccc1C#N 447705509 BTZPCFOIIZLCEW-UHFFFAOYSA-N 288.354 3.869 30 20 CHED COCc1cc(C#N)ccc1N[C@@H]1CCC[C@H](SC)C1 603290480 AOBMMZDDRNZYBK-CABCVRRESA-N 290.432 3.791 30 20 CHED C=CCOc1ccc(CN[C@@H](CC)C2CCOCC2)cc1 531043858 MQBUAUIEAZRRHM-SFHVURJKSA-N 289.419 3.546 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1ccco1 354842742 AWZBOXCNCALNSO-UHFFFAOYSA-N 256.305 3.551 30 20 CHED CC[C@H](c1ccccc1)N(CC)C(=O)c1cc(C#N)[nH]c1C 448819876 CXFSCARHFLFJOX-QGZVFWFLSA-N 295.386 3.808 30 20 CHED CC(C)[C@@H](CC(F)(F)F)Nc1ncc(C#N)cc1Cl 445661476 GUGVIJGDIZQNGI-SNVBAGLBSA-N 291.704 3.996 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 532335307 YLMOTEPQHXWJIT-UHFFFAOYSA-N 296.292 3.670 30 20 CHED C[C@H]1[C@H](C(=O)Nc2ccccc2SCCC#N)C1(F)F 359365065 WIBIOMREQDECAX-JOYOIKCWSA-N 296.342 3.532 30 20 CHED CC[C@H]1CCCN1Cc1cccc(OCCCC#N)c1 352647131 XUIWWTJWLRTQOR-INIZCTEOSA-N 272.392 3.744 30 20 CHED C[C@]1(c2ccccc2)CCCN(CC2(C#N)CC2)CC1 352222685 SBLYIZODFROLRV-KRWDZBQOSA-N 268.404 3.734 30 20 CHED Cc1ccc(CCN(CCC#N)CCC(C)C)cc1 444231409 DSPSIHJYRIVBEN-UHFFFAOYSA-N 258.409 3.799 30 20 CHED C=CCOc1ccc(OCc2cccc(COC)c2)cc1 446971965 PRBBBNWPILQPDM-UHFFFAOYSA-N 284.355 3.977 30 20 CHED C=CCOCCCSCC(=O)c1cc(C)n(CC)c1C 359121868 CBEGRCUEPCDANY-UHFFFAOYSA-N 295.448 3.633 30 20 CHED CCc1cc(C#N)c(NC(=O)CCCC(F)(F)F)s1 356003233 QZVWBWAXICDBMH-UHFFFAOYSA-N 290.310 3.853 30 20 CHED C=CCN(c1nc(C(F)F)nc2ccccc12)C1CC1 357210864 RFOYXTUNDWHRCJ-UHFFFAOYSA-N 275.302 3.722 30 20 CHED C=CCC[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 358325413 DBBHDZMYTCPXDC-MNEFBYGVSA-N 284.447 3.766 30 20 CHED C=CC[C@@H]1N(c2nnc(C3CC3)n2CC)CCCC1(C)C 358634249 RFRFEDOASMRTEJ-AWEZNQCLSA-N 288.439 3.747 30 20 CHED CC1(C)C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C(C)(C)O1 352969146 QFVZRSOWPUXXQT-IAGOWNOFSA-N 298.430 3.871 30 20 CHED N#Cc1ccc(OCC#Cc2cccc(Cl)c2)cc1 610946227 MCKYYROQVDJOOV-UHFFFAOYSA-N 267.715 3.642 30 20 CHED C=CCC[C@H](CC)NCc1ccccc1-c1cnn(C)c1 536838925 MFAXHDJJWUFXLT-KRWDZBQOSA-N 283.419 3.922 30 20 CHED Cc1ccc(C#N)c(NCC2(Cc3ccc(F)cc3)CC2)n1 356799449 TULRYVWLZOFVBI-UHFFFAOYSA-N 295.361 3.836 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CCCc2ccc(C)cc21 358954387 UVCBZBMNJGSIKR-CZUORRHYSA-N 272.392 3.636 30 20 CHED C[C@H](NCc1cc(F)c(F)cc1F)c1cccc(C#N)c1 610860060 VINHQAGKIVXKQV-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](c1ccc(C)o1)N1CCCC1 532490550 VMQWJRVNGOJTCA-BHYGNILZSA-N 290.451 3.915 30 20 CHED N#C[C@H]1CCC[C@@H]1N=c1[nH]c2cc(Cl)cc(Cl)c2o1 618971919 HMJRHZMQMVLYQH-XCBNKYQSSA-N 296.157 3.661 30 20 CHED CN(C(=O)CCCC(C)(C)C)c1ccc(C#N)cc1 269736003 VXMASCLUXRKKKB-UHFFFAOYSA-N 258.365 3.737 30 20 CHED C=CCCOCCN[C@@H]1CCc2c(Cl)cccc21 539051484 KCAZPVZIRBQGHO-OAHLLOKOSA-N 265.784 3.510 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCC(F)(F)C1 611475702 AZRJUDVVCMLHDD-DZGCQCFKSA-N 276.330 3.713 30 20 CHED N#Cc1ccccc1/C=C/c1nc([C@@H]2CCCS2)no1 612949538 VQPFIBGQPVPORL-GWJCSSMESA-N 283.356 3.680 30 20 CHED Cc1cccc(C)c1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618784068 ONFHPWFYYBINNG-QGZVFWFLSA-N 290.366 3.592 30 20 CHED C[C@@H](Sc1ccccc1Cl)C(=O)N(C)[C@H](C)CC#N 264066275 NATWFEQUHZIYNF-GHMZBOCLSA-N 296.823 3.581 30 20 CHED Cc1coc2ccc(NC(=O)NCC(C)(C)CC#N)cc12 459523551 NEZCNIGTHSHHNP-UHFFFAOYSA-N 285.347 3.803 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCc1ccccc1F 611390093 BJSRCSJKGNTDEO-LJQANCHMSA-N 294.373 3.907 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N(C)CC(C)(C)C#N 458587328 MWISVUHGXABZJL-CZUORRHYSA-N 299.418 3.501 30 20 CHED CC(C)CCC[C@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 612098468 QAZXRFFRHDBSCH-GOEBONIOSA-N 279.428 3.536 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccoc1 619754611 GACHLOBYDUPONE-SNVBAGLBSA-N 260.724 3.655 30 20 CHED Cc1cc(C)cc(C2(c3noc(C(C)(C)C#N)n3)CC2)c1 453304971 GWDLNJFZFSXMGO-UHFFFAOYSA-N 281.359 3.568 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)C2=CCCC2)cc1C#N 456116304 PULZBLOLOUEGDP-UHFFFAOYSA-N 284.359 3.784 30 20 CHED CC[C@@]1(C)CCCN(Cc2cn3ccccc3c2C#N)C1 362383848 CCBCOHYXTPBQDQ-SFHVURJKSA-N 281.403 3.823 30 20 CHED Cc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)cn1 613412055 HRTSGYWKOBUPHQ-UHFFFAOYSA-N 280.375 3.566 30 20 CHED CCCCCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 363572644 HMLFFSQQLSEYTB-SJORKVTESA-N 284.403 3.865 30 20 CHED CCC[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC 542631630 HIQCNIMBRLNDQI-MRXNPFEDSA-N 272.392 3.721 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nnc(-c3cccs3)o2)C1 278564904 MZCQPJWUQWNXHC-RKDXNWHRSA-N 277.374 3.582 30 20 CHED COc1ccc(C#N)cc1CNc1cccc2cc[nH]c12 547812006 RNBCFZSQWMWQTK-UHFFFAOYSA-N 277.327 3.660 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)s1 362913419 RGWYJWLEJDZDPR-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1cccc(-c2cnc(NC(=O)[C@@]3(C#N)C[C@H]3C)s2)c1 451760160 NBGGWKKWUXBHKJ-BDJLRTHQSA-N 297.383 3.607 30 20 CHED N#CC1(c2ccccc2)CC(N[C@H](C2CC2)C(F)(F)F)C1 367883555 DJGLQMXKQJICOM-SHARSMKWSA-N 294.320 3.541 30 20 CHED C[C@H](NCCCC1(C#N)CCOCC1)[C@@H]1CCC[C@@H](C)C1 452057913 HLGKIGFJYNNILF-IXDOHACOSA-N 292.467 3.891 30 20 CHED CC(C)Oc1ccc(-c2noc(C3(C#N)CCCC3)n2)cc1 273734696 LEHSUMJGWOZWTH-UHFFFAOYSA-N 297.358 3.859 30 20 CHED C=C(C)CCNC(=O)N1CCC(C)(c2ccccc2)CC1 455322920 JWCMPBFQBPQWLS-UHFFFAOYSA-N 286.419 3.716 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1c1ccc(C#N)cn1 450906107 CWMNKMZHTJMBIT-MRXNPFEDSA-N 281.334 3.742 30 20 CHED CC[C@@H](c1ccc(Cl)cc1Cl)N1CCO[C@@H](C#N)C1 275773029 ZEBMXMVQBPRONY-FZMZJTMJSA-N 299.201 3.669 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(CC#N)CC1 543832000 HNFXAULCJHPYQY-GOSISDBHSA-N 298.430 3.654 30 20 CHED C=C(C)CSCc1nc(Cc2cccc(F)c2)no1 278253330 CEFALCBEAKVTJU-UHFFFAOYSA-N 278.352 3.609 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@@H]1CCC2(CCCCC2)O1 545256864 BDXDSCHCPAHWOO-GJZGRUSLSA-N 294.439 3.522 30 20 CHED CC[C@H](N[C@@H](C)c1nnc(C)s1)c1ccc(C#N)cc1 278902182 ZJZQOIPZFYPKAX-HZMBPMFUSA-N 286.404 3.520 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccn1Cc1cccs1 467692086 FWVAUCPHBPUFIF-ZDUSSCGKSA-N 288.416 3.682 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@@H](OC)C(CC)CC 467958217 JRXXIZDSBKORSA-GDBMZVCRSA-N 269.429 3.546 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OCCC)c(OC)c1 629940500 LTTHPRNIUMJUME-UHFFFAOYSA-N 277.364 3.635 30 20 CHED CC[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)C1CCC(C)CC1 460754003 FLVLABIMKQKKOV-BOXZVXIZSA-N 278.440 3.893 30 20 CHED CSc1ccccc1[C@@H](C)NC(=O)CC(C)(C)C#N 281718150 DWLJQKUUGBDDOC-LLVKDONJSA-N 276.405 3.526 30 20 CHED N#CCSCCCN1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 466731799 STTOGZDGXVAUIB-QAETUUGQSA-N 292.492 3.924 30 20 CHED C=CCCN(C)C(=O)NCC1(c2ccc(Cl)cc2)CC1 467005949 RBGICIXCVFPZIC-UHFFFAOYSA-N 292.810 3.589 30 20 CHED C#CCCCC(=O)O[C@H](C)c1ccc(C(F)(F)F)nc1 285737019 GVSHLHFNBUVYCR-SNVBAGLBSA-N 285.265 3.508 30 20 CHED CCC1CCC(N(C)C(=O)NCc2cccc(C#N)c2)CC1 550227643 BRMSMIHZICIEKK-UHFFFAOYSA-N 299.418 3.668 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2ccc(C)c(OC)c2)CC1 466532957 UUTUWVGEILKSMM-OAHLLOKOSA-N 287.403 3.506 30 20 CHED CC(C)n1nccc1/C=C1/C(=O)c2ccccc2[C@@H]1C 289889197 JIPIRGLUAKAZKV-SEJMYLSOSA-N 266.344 3.847 30 20 CHED CC(C)[C@@H](C)N(C(=O)c1cc(C#N)ccc1Cl)C1CC1 285210886 WYTXCOVTAWVGFI-LLVKDONJSA-N 290.794 3.861 30 20 CHED CSCC(C)(C)C(=O)Nc1ccc(Cl)c(C#N)c1 282535088 MBFLDJBRIQXQBA-UHFFFAOYSA-N 282.796 3.539 30 20 CHED N#CC1(c2ccccc2)CCC(N[C@H]2CCC[C@H]2F)CC1 550932334 VPHHUVOVLAUMGL-UMQBVGHOSA-N 286.394 3.871 30 20 CHED C[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 638900544 QISSRDKKYZKWQH-SMDDNHRTSA-N 299.361 3.541 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(C1CC1)C1(C#N)CCC1 556453475 YZRCLRZROFRKJX-KGLIPLIRSA-N 274.408 3.640 30 20 CHED C=CCCC1(C(=O)NCC(C)(C)c2ccc(F)cc2)CC1 475597178 VRHSWSMKDAFAMB-UHFFFAOYSA-N 289.394 3.966 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 473410854 FASCNUSZUNHJMO-KGLIPLIRSA-N 293.370 3.872 30 20 CHED C[C@H](Cc1cccc(F)c1)NCC(C)(C)CCC#N 806176238 KDZVNCNRQRSLOB-CYBMUJFWSA-N 262.372 3.676 30 20 CHED C=C(C)COC(=O)CCSc1ccc(C)c(C)c1 804021049 QSBCJVUXVPRWPT-UHFFFAOYSA-N 264.390 3.905 30 20 CHED Cc1sc2ncnc(NN=C3CCC[C@H]4C[C@@H]34)c2c1C 800806991 OYCUUQHBOMYOLF-WDEREUQCSA-N 286.404 3.896 30 20 CHED CC(C)(C)OC(=O)CSCC#Cc1cccc(Cl)c1 472187851 IZVHQAIRTOPZSH-UHFFFAOYSA-N 296.819 3.766 30 20 CHED C=CCCCC[C@H](C)Nc1cnn(Cc2ccccn2)c1 648497898 WNBPXZSDNXEKNH-HNNXBMFYSA-N 284.407 3.873 30 20 CHED C=CCCN(C)Cc1c(F)ccc(C2OCCO2)c1Cl 298165174 SWFFDILNAFRZRJ-UHFFFAOYSA-N 299.773 3.532 30 20 CHED CCN(C(=O)[C@@H](C)C(C)(F)F)[C@H](C)c1ccc(C#N)cc1 294726245 VXZQXDURUPAKBP-VXGBXAGGSA-N 294.345 3.759 30 20 CHED C=CCn1cccc1-c1nc(Cc2cccc(C)c2)no1 564221603 QZEYKYMKZCVSGJ-UHFFFAOYSA-N 279.343 3.623 30 20 CHED COC(C)(C)CC(=O)Nc1sc(C(C)(C)C)cc1C#N 297831005 QPONJQWUJNPBPZ-UHFFFAOYSA-N 294.420 3.671 30 20 CHED C=C[C@@H](C)NC(=O)CC1(CSc2ccccc2)CC1 472356683 UKSNFBRTXSINRR-CYBMUJFWSA-N 275.417 3.640 30 20 CHED CCOc1ccc(C2=CCN([C@@H](C)CCC#N)CC2)cc1 299692677 NXUZMUCPJWOCPD-HNNXBMFYSA-N 284.403 3.867 30 20 CHED CC[C@H](NCC(C)(C)CCC#N)c1ccc(F)cc1O 806178356 SLFZUCPPSOAJQP-AWEZNQCLSA-N 278.371 3.902 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCCC#N)cc1 291985120 VFOIAZDSNDKFMX-QAPCUYQASA-N 284.403 3.989 30 20 CHED C=CCCCCNC(=O)Nc1cccc(F)c1C 473713519 HHAMYLHYNJRLCI-UHFFFAOYSA-N 250.317 3.612 30 20 CHED C#C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(Cl)cc1F 804420683 MEGIWJCJWRNDKT-NHYWBVRUSA-N 291.753 3.626 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCC[C@@H](SCC)C1 474042837 YESJABWFRSUSLU-ZIAGYGMSSA-N 284.469 3.706 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cnn(C2CCOCC2)c1C 295159503 SADNLYOSQZKISK-STQMWFEESA-N 277.412 3.556 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cc(F)c(SC)c(F)c1 806409491 YGPZKWPGGYELOL-VIFPVBQESA-N 298.358 3.610 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 293956674 ICECYXJDRPGKIY-QRTARXTBSA-N 275.367 3.790 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc(Cl)cc1)C1CC1 472752383 PENZINGXIZWLHT-INIZCTEOSA-N 279.811 3.632 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 294734739 XQHPYDRZWAAPRL-GOSISDBHSA-N 283.415 3.759 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 472532712 KAASDUXANXLQCI-JGGQBBKZSA-N 290.382 3.726 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1(C(F)F)CCCC1 642728067 CGHKFPVPVVHWTB-NSHDSACASA-N 274.355 3.608 30 20 CHED C[C@@H](C=NNc1nc2cc(F)c(F)cc2[nH]1)C(C)(C)C 800810031 JQFHJNBUYDBAHM-QMMMGPOBSA-N 280.322 3.921 30 20 CHED C=CCC(C)(C)CNC(=O)c1sccc1OC(F)F 489828773 QRRVPGDQSGVXBD-UHFFFAOYSA-N 289.347 3.682 30 20 CHED C=CCCCCOC(=O)c1cccc2oc(C)nc12 811013355 RFKGGMBTADCVMN-UHFFFAOYSA-N 259.305 3.649 30 20 CHED C=CCC[C@@H](C(=O)NCCC(F)(F)F)c1ccccc1 489077151 STJSKVVPNCYGGE-CYBMUJFWSA-N 285.309 3.805 30 20 CHED Cc1ccc(C(=O)N2CC[C@@H](C3CCCC3)C2)cc1C#N 817466315 IXGSIGLURPQHSD-MRXNPFEDSA-N 282.387 3.519 30 20 CHED Cc1ccnc(NCc2ccc(Cl)cc2F)c1C#N 489893254 BOUWGXHHQINWEW-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1C[C@H](C)O[C@@H]1C 658037178 UHSIGWVQSKBECQ-OTJKEOIZSA-N 251.414 3.524 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(F)c(Cl)c1 815313504 JSCJXVCCQBEIGD-UHFFFAOYSA-N 278.657 3.734 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccc(C)nc1C 814945869 URVFRQHROKPGTB-UHFFFAOYSA-N 293.292 3.952 30 20 CHED C=C(CC)COC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 815405260 PCFABQALLTUNPE-UHFFFAOYSA-N 283.711 3.680 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(C(F)(F)F)c1 488573212 BIFORUJDMIDVPQ-UHFFFAOYSA-N 294.276 3.945 30 20 CHED C/C(=C\C(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)C 813260186 QAXNVVRGDJUPKC-JXMROGBWSA-N 260.312 3.628 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)[C@H]1CCCC[C@H]1C 487323948 SNWOXLCKTSXCHD-YPMHNXCESA-N 276.405 3.661 30 20 CHED CCCNN=C/C(C)=C/c1ccccc1OC(F)F 811638059 RGHLIPNRUIPJRE-VYRZMWHGSA-N 268.307 3.677 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](CCCC)C1CCC1 810514938 YWPSADIICOBYHR-SFHVURJKSA-N 283.415 3.686 30 20 CHED C=CCSc1ccccc1C(=O)OCC1(OC)CCC1 811178444 USYFNSAICKLRJE-UHFFFAOYSA-N 292.400 3.691 30 20 CHED CC(=NNc1ccccc1)c1ccc(C)c(C)c1O 728155574 TUTJBYXMXUELNT-UHFFFAOYSA-N 254.333 3.845 30 20 CHED Cc1cccc(NN=Cc2ccc(O[C@@H](C)C#N)cc2)c1 727686983 ISSCHXSSLIWHGX-AWEZNQCLSA-N 279.343 3.732 30 20 CHED C=CCN(C(=O)N[C@H](CC)Cc1ccccc1)C(C)C 727943426 DKOJCMWRQLKYSU-MRXNPFEDSA-N 274.408 3.614 30 20 CHED CCC[C@@H](C)N(C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 578167130 CKTRUJIWCXPIBI-GFCCVEGCSA-N 290.382 3.622 30 20 CHED C=C(Cl)COC(=O)c1ccc(-c2ccco2)nc1C 726232872 SCMOVAXFDDNTSP-UHFFFAOYSA-N 277.707 3.559 30 20 CHED CC(C)CSCCCSc1cccnc1C#N 576291513 KQTJRRLFJVFFFA-UHFFFAOYSA-N 266.435 3.825 30 20 CHED N#Cc1ccccc1CSc1cccc(F)c1C#N 577335577 ADPZAJWALQFMIA-UHFFFAOYSA-N 268.316 3.861 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)cc1 728232041 RICUJCGFKYIFAU-UITAMQMPSA-N 295.338 3.555 30 20 CHED CC(C)(C(=O)OCCCC#N)c1cccc(C(F)(F)F)c1 727218328 MDKZLRWXSPNQKT-UHFFFAOYSA-N 299.292 3.830 30 20 CHED CC(=NNCCCc1ccccc1)c1c(F)cccc1F 729148212 RQCUBTYEVXRVIA-UHFFFAOYSA-N 288.341 3.911 30 20 CHED CC(Cc1ccsc1)=NNCCCc1ccccc1 729636165 CLBVFXYPADAWDR-UHFFFAOYSA-N 272.417 3.889 30 20 CHED COCCOc1ccc(NC2CCC(C)(C#N)CC2)cc1 823508084 SMIKNWBIEPEJFJ-UHFFFAOYSA-N 288.391 3.596 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccc(Br)o2)no1 904626196 YHBBUFMFDMGHGI-UHFFFAOYSA-N 297.152 3.847 30 20 CHED N#C[C@@H](CCc1ccccc1)SCc1ccncc1 901632077 VBESBGNSXXRCIK-MRXNPFEDSA-N 268.385 3.840 30 20 CHED C=CC[C@H](NC(=O)CCc1ccc(F)cc1)c1ccncc1 734235354 GUWHIRMVGXKIFT-KRWDZBQOSA-N 298.361 3.587 30 20 CHED C[C@H]1CCCC[C@@H]1N1CCC(=NNc2ccccn2)CC1 733906209 AHOFAYDTTFWGCH-HOCLYGCPSA-N 286.423 3.524 30 20 CHED C=CCOCCCSc1cc(C)nn1-c1ccccc1 584410161 URBWQIHLEYAVGS-UHFFFAOYSA-N 288.416 3.866 30 20 CHED C[C@H](NC(=O)C1(C#N)CCC1)c1csc2ccccc12 736013068 HDRLJQMAJZDTBM-NSHDSACASA-N 284.384 3.772 30 20 CHED N#CCOc1cccc(NC(=O)C2(C3CCCCC3)CC2)c1 906238782 OCAFAKBPIVVWNR-UHFFFAOYSA-N 298.386 3.888 30 20 CHED Cc1ccc2[nH]cc(C=NNc3cccc(C#N)c3)c2c1 735612427 KIJPILIYQKIPCE-UHFFFAOYSA-N 274.327 3.794 30 20 CHED C=CCN(C(=O)[C@@H](C)CSc1ccccc1)C(C)C 731968982 CKTBPVWGKPQYIJ-AWEZNQCLSA-N 277.433 3.838 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 581504775 IATWENWOVBMLTA-XYJFISCASA-N 284.403 3.769 30 20 CHED Cc1cc(F)ccc1C=NNc1cc(F)c(F)cc1F 734302355 BEPAZLNJSNZMPC-UHFFFAOYSA-N 282.240 3.997 30 20 CHED C=CCCNC(=O)Nc1ccc(O[C@@H](C)CC)cc1 665844654 YIEXDTICFGOOJT-LBPRGKRZSA-N 262.353 3.562 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1c[nH]nc1C 666238556 MPMBCFKRKCERRC-CZUORRHYSA-N 269.392 3.556 30 20 CHED N#CC1(COC(=O)/C=C\c2ccc(Cl)cc2)CCC1 588477946 OZMWPQRLAYJXAR-DAXSKMNVSA-N 275.735 3.590 30 20 CHED Cc1cccnc1S[C@@H](C#N)Cc1ccccc1 588106271 BUKHSUVRCHHBKI-CQSZACIVSA-N 254.358 3.617 30 20 CHED Cc1ccc(C2CC(=NNc3ccc(F)cn3)C2)cc1 731319197 SUTBMHHPRDQCRR-UHFFFAOYSA-N 269.323 3.875 30 20 CHED N#Cc1ccc(OC(F)F)c(NC(=O)CCCC2CC2)c1 589765635 LPECQXIDDXDIKB-UHFFFAOYSA-N 294.301 3.678 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)O[C@H](C#N)C(C)(C)C 835291826 TZMMLTAQIUCJCY-CQSZACIVSA-N 274.364 3.609 30 20 CHED CC(C)n1cncc1/C=C1/Cc2cc(Cl)ccc2C1=O 901480497 KDRXAXHYAHLGTQ-GHXNOFRVSA-N 286.762 3.940 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H](C)c2ccccc2)c1 730434397 LCTSZTWCPJRRAI-FDIDITGRSA-N 269.344 3.971 30 20 CHED CCCCCCCc1nc(Cc2csc(C)n2)no1 731793279 ATDUEDWBODNIEM-UHFFFAOYSA-N 279.409 3.938 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2nc3ccccc3[nH]2)o1 732762376 XQQWXQAMZPOPON-JQWIXIFHSA-N 280.331 3.725 30 20 CHED CCC(Cc1cccs1)=NNc1ccc(Cl)nn1 730945843 SLRDEWNTRSSAEZ-UHFFFAOYSA-N 280.784 3.612 30 20 CHED COc1cccc(/C=N\CCC2CCCCC2)c1O 914702020 VFLPDBQCJNULFQ-ATVHPVEESA-N 261.365 3.790 30 20 CHED C[C@H](C#N)OC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 733522608 LCNHRXBBOSXRIC-NXEZZACHSA-N 285.265 3.654 30 20 CHED Clc1nc2ccccn2c1C=NOCc1ccccc1 839421831 OIJMIYZUYUHHND-UHFFFAOYSA-N 285.734 3.538 30 20 CHED C[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1F 839048400 DEIUWLGFRBSDNB-RWMBFGLXSA-N 275.323 3.555 30 20 CHED CC(C)(C)CCC(=O)[C@@H](C#N)c1nc2ccccc2o1 739155640 JUBSVNMXLNMYKG-LLVKDONJSA-N 270.332 3.830 30 20 CHED CC1(C#N)CCC(=NNCc2cnc3ccccc3c2)CC1 834963989 QNGLUSCEKBBLIX-UHFFFAOYSA-N 292.386 3.784 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1ccc(N)cc1 916540046 KVPOLPFHBIHNQM-UHFFFAOYSA-N 259.740 3.758 30 20 CHED CCN(C(=O)c1csc2cc(C)ccc12)[C@@H](C)C#N 598362247 BERSGNXOBVEZBP-NSHDSACASA-N 272.373 3.584 30 20 CHED CSc1ccc(C(C)=NNc2cncc(Cl)n2)cc1 914556791 GMIOXDZNMWEDMZ-UHFFFAOYSA-N 292.795 3.688 30 20 CHED C=C(CNC(=O)CCSc1ccccc1)c1ccccc1 672479315 LHTLAERNZLELSJ-UHFFFAOYSA-N 297.423 3.998 30 20 CHED CC(C)(C)c1nc(CSc2cc(C#N)ccn2)co1 916689948 JYMDFZCQWYKWFQ-UHFFFAOYSA-N 273.361 3.531 30 20 CHED CN(CC(C)(C)C#N)C(=O)Cc1cc(Cl)cc(Cl)c1 599968216 GHEHTVVEFTVUIE-UHFFFAOYSA-N 299.201 3.544 30 20 CHED C=CCN(C(=S)Nc1cccc(Cl)c1)[C@@H](C)COC 849277491 ZCSDXDFLGXHHES-NSHDSACASA-N 298.839 3.560 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(C#N)cc2)c1 743538789 OAOIJOVPQUBHEI-KHPPLWFESA-N 277.323 3.853 30 20 CHED Cc1cc(F)cc(-n2cc(CC3(C#N)CCCCC3)nn2)c1 594653531 PRFQAWSOBJREJV-UHFFFAOYSA-N 298.365 3.731 30 20 CHED C=CCC[C@H](OC(=O)CCc1scnc1C)C1CC1 842324493 CNAXPGBMIDYRAN-ZDUSSCGKSA-N 279.405 3.672 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](CC)c1cccc(Cl)c1 844284267 CURYASHHKPYNNL-ZWNOBZJWSA-N 282.771 3.596 30 20 CHED C=C(CNC(=O)C1(c2ccccc2F)CC1)c1ccccc1 673342308 FOJIBHIEKSPCDG-UHFFFAOYSA-N 295.357 3.687 30 20 CHED CCCCCCCC(=O)N1CCS[C@H](C(C)C)C1 742906071 UPFFMOVUJLLCJM-AWEZNQCLSA-N 271.470 3.947 30 20 CHED C=C[C@@H](C)ON=C(C)c1ccc(OC(F)F)c(OC)c1 844625974 WEAXZMYGABORFV-SECBINFHSA-N 285.290 3.612 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1nc(C#N)ccc1C 596181985 JBUHEFLSEXKOFW-MLGOLLRUSA-N 299.349 3.589 30 20 CHED C=C[C@@H](CC(=O)OCc1cc(C2CC2)no1)c1ccccc1 849748494 GOGYFFRMAPUXDS-ZDUSSCGKSA-N 297.354 3.955 30 20 CHED CCCCCCCCCN(C)Cc1cn2cccnc2n1 918742083 UEQPTOMHMZWSSQ-UHFFFAOYSA-N 288.439 3.912 30 20 CHED Cc1cc(C)nc(NN=C2CC[C@H]3CCCC[C@H]3C2)n1 916241087 GGMRVXAYCCYGBL-KGLIPLIRSA-N 272.396 3.852 30 20 CHED CCCCCCCC(=O)N1CCS[C@H](CC)C1 742920306 BIALYFPVJZHPIJ-CYBMUJFWSA-N 257.443 3.701 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cccnc2)cc1 916137365 YODHLJFSXBCPSA-YFHOEESVSA-N 267.328 3.767 30 20 CHED C=C[C@@H](C)ONC(=O)N(CC)C[C@@H](CC)c1ccccc1 845623304 HFZMMAAIVIGIOE-HUUCEWRRSA-N 290.407 3.718 30 20 CHED CC[C@@H]1CCCC1=NNc1cccc(C(=O)O)c1C 844623827 MUVYYIFOUTXYHJ-LLVKDONJSA-N 260.337 3.671 30 20 CHED COCCOc1cccc(-c2ccccc2C2(C#N)CC2)c1 592982411 AHUQNYSXRKPIMB-UHFFFAOYSA-N 293.366 3.934 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 597995547 TZTCXMSNWWRPRJ-FUHWJXTLSA-N 296.414 3.889 30 20 CHED CO[C@@H](C=NNc1ncccc1C(F)(F)F)CC(C)C 841618523 VUYBUESYLMFCGG-SNVBAGLBSA-N 289.301 3.559 30 20 CHED CC1(NC(=O)CC2(C#N)CCCCC2)Cc2ccccc2C1 597462751 POPYKOOOLFMWIN-UHFFFAOYSA-N 296.414 3.524 30 20 CHED CC[C@H](C#N)C(=O)N(CCc1ccccc1)c1ccccc1 593423865 MUSVQAUNJUCUQT-QGZVFWFLSA-N 292.382 3.812 30 20 CHED C[C@H](C#N)N(Cc1csc(Cc2ccccc2)n1)C1CC1 595713059 FCJYPNYDSAOZII-CYBMUJFWSA-N 297.427 3.610 30 20 CHED Cc1ccccc1/C=C1/Cc2ccc(F)cc2C1=O 749004687 GHLBQLWGEMBLLY-ZSOIEALJSA-N 252.288 3.957 30 20 CHED N#CCC1(COC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 744277982 DPGIBFKNHRCUHM-WDEREUQCSA-N 289.297 3.592 30 20 CHED C[C@H](CN[C@H](C)CC(C)(C)C#N)c1cccc(F)c1 924808070 ZCNRNFFUJCSGNH-CHWSQXEVSA-N 262.372 3.847 30 20 CHED C#CC[C@H](NC(=O)c1cccc(C)c1C)c1ccccc1 757618166 UMMSJTQPSRISKQ-SFHVURJKSA-N 277.367 3.798 30 20 CHED C#CCCCC(=O)NC1CCC(C)(c2ccccc2)CC1 758732069 VOTHTLJLUXPTDL-UHFFFAOYSA-N 283.415 3.807 30 20 CHED C=CCCNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 855383074 NVOFMAVXDWITIR-SNVBAGLBSA-N 271.282 3.501 30 20 CHED CCCCCCOc1ccc(CC(=O)O[C@H](C)C#N)cc1 920550369 IWOFNULKYXHCPZ-CQSZACIVSA-N 289.375 3.643 30 20 CHED C#Cc1cccc(NC(=O)N(C(CC)CC)C2CC2)c1 750585849 HTNJINTZODZCRU-UHFFFAOYSA-N 270.376 3.853 30 20 CHED C(=NOCC1CCC1)c1cccc(OCc2ccccn2)c1 853439239 BJTKYSXGZRMWOY-UHFFFAOYSA-N 296.370 3.811 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@H](C)c1ccco1 859812492 PZCFDDAUNDMCMZ-ZDUSSCGKSA-N 283.327 3.697 30 20 CHED C=C(C)CN(Cc1ccc(O)cc1)Cc1cnn(C(C)C)c1 685443595 PZHXXGHBOKKHQF-UHFFFAOYSA-N 299.418 3.748 30 20 CHED CC(=NNc1cc(C)ccn1)c1c(C)nn(C(C)C)c1C 755906722 POTMKIFRLUCMPB-UHFFFAOYSA-N 285.395 3.620 30 20 CHED CCCC(=NNc1cc(C)ccn1)c1cccc([N+](=O)[O-])c1 755906619 ODYKGJJNRVSBLN-UHFFFAOYSA-N 298.346 3.915 30 20 CHED C[C@@H]1CC/C(=C/C(=O)Nc2ccc(Cl)c(C#N)c2)C1 753577274 MGISLHUJIVIGHL-PAKSIRSJSA-N 274.751 3.897 30 20 CHED CC1(C)C(=NNc2cc(Cl)ccn2)[C@H]2CCC[C@H]21 853328396 GWSATHZIPUYEEL-WDEREUQCSA-N 263.772 3.959 30 20 CHED C=C(C)[C@@H](C)OC(=O)c1[nH]c(-c2ccccc2)nc1C 755991848 LVBYUFGVIIUEQP-GFCCVEGCSA-N 270.332 3.507 30 20 CHED C=CCC1(NC(=O)CCCCCCC)CCOCC1 855685647 CDQGOPSXXJWTRJ-UHFFFAOYSA-N 267.413 3.588 30 20 CHED O=[N+]([O-])c1cccc(NN=C[C@@H]2CCOc3ccccc32)c1 752154553 IBAGEFKWPFSSNU-LBPRGKRZSA-N 297.314 3.559 30 20 CHED Clc1cccc(-c2nc(CON=CC3CC3)co2)c1 853735230 OXCXZLRHIJYFRZ-UHFFFAOYSA-N 276.723 3.907 30 20 CHED CC(=NN=C[C@@H](C)CC1CCCCC1)c1cnccn1 758124558 NSOVABDQUBOWPM-ZDUSSCGKSA-N 272.396 3.878 30 20 CHED Cc1oncc1CS[C@H](C)c1ccc(C#N)cc1 853766954 IZZPCZSRDVTXRN-LLVKDONJSA-N 258.346 3.849 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)c(O)c1 757476262 OYWKTEBLHGZBIJ-UTCJRWHESA-N 288.730 3.956 30 20 CHED CC(C)=CCC[C@H](C)CC=NNC1=N[C@@H]2CCCC[C@H]2N1 753937756 GFKGVPQHRMOUHM-ARFHVFGLSA-N 290.455 3.605 30 20 CHED CCOc1ccc(C=NOCCOc2ccccc2)cc1 852212316 YYPBLTOABZWLLX-UHFFFAOYSA-N 285.343 3.515 30 20 CHED N#C[C@@H]1CCCN([C@@H]2CCc3cc(Cl)ccc32)C1 932155215 ZFTDUQLKZZJXDI-XHDPSFHLSA-N 260.768 3.563 30 20 CHED Cc1cccc2oc(C(=O)N(CCC#N)CC(C)C)cc12 930901230 CBLSLNQMRCJLLF-UHFFFAOYSA-N 284.359 3.753 30 20 CHED C[C@H](O)c1ccc(-c2ccccc2C2(C#N)CC2)cc1 864551292 YGLBJDVILHNFEE-ZDUSSCGKSA-N 263.340 3.962 30 20 CHED CCCN(CCCC#N)C1CCN(Cc2ccccc2)CC1 934186941 WAXUJJRJFNRQFE-UHFFFAOYSA-N 299.462 3.667 30 20 CHED C=C(Cl)C[C@@H](NCc1ccc(C(C)(C)C)cc1)C(=O)O 864518382 IGUBAYXFFQEQFF-CQSZACIVSA-N 295.810 3.670 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 931355490 SJQDUGIQZLAEKQ-GOEBONIOSA-N 287.403 3.613 30 20 CHED CCC(=NNc1c(F)cccc1Cl)[C@@H]1CCOC1 769829429 QNPSLWLBHPIHBQ-SECBINFHSA-N 270.735 3.694 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](F)c2ccccc2)c1 769367869 GIUDBPBLAAHUOP-KRWDZBQOSA-N 281.330 3.732 30 20 CHED Cc1cc(OC(=O)Cc2ccc(Cl)cc2)ccc1C#N 765099664 VBLYLGPVXDOVQS-UHFFFAOYSA-N 285.730 3.668 30 20 CHED CCOc1cccc(/C=C/C(=O)O[C@H](C#N)C(C)(C)C)c1 860647369 XXJSEAODMXMIBK-BOLDSZDNSA-N 287.359 3.580 30 20 CHED CC(C)n1cc(Nc2nc(C(C)(C)C)ccc2C#N)cn1 767190847 PZTTTWKWLAQUTK-UHFFFAOYSA-N 283.379 3.772 30 20 CHED CC(CCc1ccsc1)=NNc1nc(C)cc(C)n1 764892195 SYRONIPMYCMRLV-UHFFFAOYSA-N 274.393 3.576 30 20 CHED Cc1cc(CNc2ccccc2O[C@@H](C)C#N)ccc1C#N 767685048 SSFPRIGKVXUVOA-AWEZNQCLSA-N 291.354 3.770 30 20 CHED FC(F)Oc1ccc(NN=C2CC(C(F)F)C2)cc1 766021037 HOCVACDPBDPDOU-UHFFFAOYSA-N 276.233 3.731 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(Cl)cc1Cl 1116643960 WPTFWBUXEKARCO-KOLCDFICSA-N 274.191 3.845 30 20 CHED CC[C@H]1CCCCN1CC[C@](C#N)(C(C)=O)c1ccccc1 877934064 AMLSUHQNQBPRPR-OALUTQOASA-N 298.430 3.692 30 20 CHED O=C1/C(=C/c2ccccc2F)CCc2ccc([N+](=O)[O-])cc21 773152698 YMNZCEFGNRQBMS-UKTHLTGXSA-N 297.285 3.946 30 20 CHED C[C@H](C#N)CNN=C1CCC[C@@H]1c1ccc(Cl)cc1 771098365 KOCBTRXHQOGDMQ-BXUZGUMPSA-N 275.783 3.713 30 20 CHED O=C1/C(=C2/COc3ccc(F)cc32)CCc2ccc(F)cc21 776193065 OGRNXTITUOBFAL-SSZFMOIBSA-N 298.288 3.940 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1116616148 YORBLMXWNRJGQM-NSHDSACASA-N 281.758 3.850 30 20 CHED Cc1ncsc1/C=C1\CCc2ccc(F)cc2C1=O 776191142 BWYFEPWLIBYFSN-IZZDOVSWSA-N 273.332 3.803 30 20 CHED Cc1cc(C)n(CCSCCCC(C)(C)C#N)n1 1117971267 MSPJGRCGGWVKTJ-UHFFFAOYSA-N 265.426 3.563 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cnn(-c2ccccc2)c1C 773007426 FZSIEMLLYMNUBF-KBPBESRZSA-N 269.392 3.796 30 20 CHED Cc1ccc([C@@H](C)C(=O)O[C@@H](C#N)C2CCCCC2)o1 776390584 GMAMSDOKTZVFMD-DOMZBBRYSA-N 275.348 3.707 30 20 CHED COCCc1nc(C)c(C(C)=NOC2CCCCC2)s1 777457328 QQZHWYLGGWHVPL-UHFFFAOYSA-N 296.436 3.714 30 20 CHED CC(=NOC1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 779789233 ZXRVBDWJZIQOMY-QGZVFWFLSA-N 286.419 3.844 30 20 CHED C=C(C)CNC(=O)/C=C\c1ccc2cc(OC)ccc2c1 777834097 RDYATWSCWDTXOU-UITAMQMPSA-N 281.355 3.554 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccc(C)s1 779900870 BNJUKDGDVIJCAO-UHFFFAOYSA-N 263.406 3.599 30 20 CHED COc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1 779461085 VAMMALVLYBKUOM-WAYWQWQTSA-N 273.719 3.640 30 20 CHED C=CC(C)(C)CC(=O)N[C@](C)(C#N)CCc1ccccc1 889532317 ZNCKCFNTXSHRQA-SFHVURJKSA-N 284.403 3.620 30 20 CHED C=CCC[C@@H](C(=O)OCc1cc(C)ncn1)c1ccccc1 777747222 AENVISWDCMNQGV-QGZVFWFLSA-N 296.370 3.578 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC(C)C)c(C#N)c1 779943583 NFSUUJZMKVWOGN-UHFFFAOYSA-N 298.386 3.868 30 20 CHED C=CCCC[C@@H](NCCC1CC(O)C1)c1ccccc1 883218964 KBGGMNPKPDSXOT-VMWRSERWSA-N 273.420 3.835 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cc3cccc(F)c3o2)c1 1129714557 AYQPJYYSABRZLJ-UHFFFAOYSA-N 298.248 3.835 30 20 CHED N#Cc1ccc(CNC2(C3CCCCC3)CC2)c(F)c1 1560614289 FJEIUZBUTJODCH-UHFFFAOYSA-N 272.367 3.900 30 20 CHED Cc1cccc2c(C(=O)N(C)c3ccccc3C#N)coc12 1127130102 UIWHLTXNNXKVEJ-UHFFFAOYSA-N 290.322 3.890 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCCC1)c1ccc(Cl)cn1 781605298 DJDAIEOVQLENKJ-NSHDSACASA-N 292.766 3.813 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](CC=C)c1ccncc1 1123503821 ATEABGLJWBGHGI-DLBZAZTESA-N 299.418 3.839 30 20 CHED CC#CCNC(=O)Nc1ccc(-c2ccccc2)cc1C 785838251 YHQYTTZKJRDWON-UHFFFAOYSA-N 278.355 3.807 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NOCC(F)(F)F 788720306 LBRGYWUJIBZGGF-UHFFFAOYSA-N 287.281 3.660 30 20 CHED CCC(Cc1ccccc1)=NN[C@@H]1CCOC(C)(C)C1 780252005 XOMVOJOJAHXUOE-MRXNPFEDSA-N 274.408 3.542 30 20 CHED COc1ncc(C(C)=NNc2ccccc2)cc1Cl 788928511 KFJZICCOECQMIH-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC[C@H]1CCC[C@H](C=NNC(=S)Nc2ccccn2)C1 783857084 RVGSLTJQDFGASB-STQMWFEESA-N 290.436 3.570 30 20 CHED CCCCCCCC(=O)NCC[C@H]1CCO[C@H](C)C1 784375360 RFHKVFISPLBBOP-CABCVRRESA-N 269.429 3.668 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc(-c3ccon3)c2)C1 897387801 JVVJROVTBYYXHQ-OCCSQVGLSA-N 267.332 3.836 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NN[C@H]1C[C@H]2CC[C@H]1C2 782228011 TXDYSEUWIVFXIL-DEYYWGMASA-N 296.418 3.650 30 20 CHED C#CCCCCCC(=O)Nc1cccc2c1OC(C)(C)C2 789431055 POTFBYBOONOAMA-UHFFFAOYSA-N 285.387 3.922 30 20 CHED Cc1ccc(N(C)C(C)C)c(C(=O)OCC(C)(C)C#N)c1 781477417 QRJUBNDGSOKSBR-UHFFFAOYSA-N 288.391 3.546 30 20 CHED O=C(/C=C/c1ccnn1-c1ccc(F)cc1)c1ccco1 794940818 CUVVTHGZZJGVPC-BQYQJAHWSA-N 282.274 3.501 30 20 CHED CC[C@@H](C)C=NNc1ncnc(Cl)c1C(C)C 797403956 DBMLUJCAGGQBJN-SECBINFHSA-N 254.765 3.697 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)c1cccc(F)c1 799307701 RLOCDNZYTWEPML-UHFFFAOYSA-N 282.318 3.673 30 20 CHED CC[C@H](C)CON=C(C)c1c(F)cccc1OC 793160994 YXKFZRRJTCLOKK-JTQLQIEISA-N 253.317 3.621 30 20 CHED CC[C@@H]1c2ccccc2CN1c1ncc(C#N)cc1F 897354589 OFYAGUXGDYWQJD-OAHLLOKOSA-N 267.307 3.564 30 20 CHED C#Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 891314737 ZBKTZTOGCSNTDD-QWHCGFSZSA-N 295.304 3.975 30 20 CHED C=C1CCC(C(=O)Nc2c(O)cccc2Cl)CC1 897847156 SRBWQDBBADTCRI-UHFFFAOYSA-N 265.740 3.731 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)[C@H](O)c1ccc(C)cc1 797065850 ZXFULMWLHVPDQJ-XIRDDKMYSA-N 261.409 3.751 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(CF)cc1 1130174937 ZRWCGRXMADHXHH-CYBMUJFWSA-N 296.345 3.861 30 20 CHED CC(C)c1c(Cl)ncnc1NN=Cc1ccc(C#N)cc1 797404778 TVFAUINJJGHDHR-UHFFFAOYSA-N 299.765 3.571 30 20 CHED CCC(=NOCCCOC)c1ccc(Cl)cc1 795051049 LRMNHGJFCHVAKO-UHFFFAOYSA-N 255.745 3.507 30 20 CHED Fc1cccnc1NN=C1CCc2ccc(Cl)cc21 794982950 CVSCWJLYODKUPV-UHFFFAOYSA-N 275.714 3.637 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)c1cn(C)nc1C 793530335 ZZXSFDPCJKCFMC-KBPBESRZSA-N 263.429 3.904 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H]1C=CCCCCC1 793401410 MQHJUJMASRAXFJ-LBPRGKRZSA-N 259.305 3.505 30 20 CHED Cc1cnn(C)c1/C=C1\CCc2ccc(Cl)cc2C1=O 794704188 YBFRXRXUOGBQBI-KPKJPENVSA-N 286.762 3.594 30 20 CHED Clc1cccc(CC=NNc2nc3ccccc3[nH]2)c1 794860566 SOTDJKYJWMQFJU-UHFFFAOYSA-N 284.750 3.857 30 20 CHED CCN(CCC#N)C(=O)CCc1cc(Cl)cc(Cl)c1 134625780 DKMDACGKHQUUPN-UHFFFAOYSA-N 299.201 3.688 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 247633025 BWHFPVWYJGKMEY-OUJBWJOFSA-N 274.751 3.586 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCCC[C@@H]2C)c1C#N 1161970415 JZMUEUNXYVVROA-ZANVPECISA-N 263.772 3.906 30 20 CHED CC(C)(C)CN(CCC#N)Cc1c(F)cccc1F 93101288 MWJTWBIMTYZQGN-UHFFFAOYSA-N 266.335 3.727 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccccc1F 1318574917 HBUZTPQYUISNNG-UHFFFAOYSA-N 286.354 3.749 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](SC)C1 1328050807 MTYXHKYZHWXHSN-CYBMUJFWSA-N 257.443 3.701 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(C)ccn1 684208127 HRMBUDBBWGYBBD-UHFFFAOYSA-N 266.388 3.968 30 20 CHED C[C@@H](CCC#N)N1CCc2sc(Br)cc2C1 591020030 ZWHKPACOUATTHY-VIFPVBQESA-N 299.237 3.561 30 20 CHED Cc1ccccc1CC(C)(C)NC(=O)c1csc(C#N)c1 1324357442 SRQOCEBOOJKKMX-UHFFFAOYSA-N 298.411 3.679 30 20 CHED CCCCCCCN1CCCC[C@@H]1c1noc(C)n1 740875308 RUUGGWNZFDIGFW-CQSZACIVSA-N 265.401 3.875 30 20 CHED CCCCNc1nnc(S[C@@H]2CC[C@H](C#N)C2)s1 1324719536 CXVYSZWDKMWBCZ-VHSXEESVSA-N 282.438 3.534 30 20 CHED CCCN(CCOc1ccccc1C#N)Cc1ccccc1 59931162 FAGHDXMZVOMWOA-UHFFFAOYSA-N 294.398 3.849 30 20 CHED C=CCCCCNC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1320647779 XDTFTNFBSKZADS-HUUCEWRRSA-N 264.413 3.564 30 20 CHED C=CCOc1ccccc1CN[C@H]1CC[C@H]1C1CC1 562040260 XCQKFUSYASREAI-HOTGVXAUSA-N 257.377 3.530 30 20 CHED CC1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 565398571 VUYVJGRXLYPJRB-CVEARBPZSA-N 254.377 3.558 30 20 CHED N#Cc1ncccc1SC[C@@H]1CCCCC1(F)F 574769769 BROGNRXAQRGATG-JTQLQIEISA-N 268.332 3.871 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@H]1OCCc2ccccc21 1336759721 ONNUFHWIGJLBSI-FUHWJXTLSA-N 299.414 3.648 30 20 CHED CCCCCCCCN(C)C1CCC(CO)CC1 760870604 VFPGUEOQOILJKK-UHFFFAOYSA-N 255.446 3.830 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)Cc1cccs1 695861105 YJFQDZITPWXJFM-NEPJUHHUSA-N 250.411 3.597 30 20 CHED CCC(CC)Cc1nnc(-c2ccc(C#N)cc2)o1 1257872771 QHKYODMYWFYCOD-UHFFFAOYSA-N 255.321 3.587 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CC[C@@](C)(CC)C1 1339040876 SVDDZVWZOXMAMR-IUODEOHRSA-N 294.468 3.515 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2cc(F)ccc2[nH]1 1337551916 SBRQBHPTDJWPSL-CQSZACIVSA-N 286.350 3.878 30 20 CHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C)c(F)c1 1192881560 VYKXBQAKPLBLKC-BJJXKVORSA-N 260.356 3.867 30 20 CHED CCCCC[C@@H](CC)C(=O)[C@@H](C#N)c1nccn1CC 1263616690 DQLQFBXEVFLDJA-ZIAGYGMSSA-N 275.396 3.686 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]2C2CCCCC2)cs1 1261253657 KGUMXRRMNVVUBX-HNNXBMFYSA-N 288.416 3.805 30 20 CHED Cc1ccc(-c2nnc(CC3CCCC3)o2)cc1C#N 1261575476 JDLDBOQPSDDWEE-UHFFFAOYSA-N 267.332 3.649 30 20 CHED O=C(OCC#Cc1ccccn1)c1cc2ccccc2s1 1343447119 MGOJAHYODGGDDE-UHFFFAOYSA-N 293.347 3.505 30 20 CHED Cc1cc(N(C)C)cc(C)c1NC(=O)c1csc(C#N)c1 1344112710 GXTAYZJGIXJYQO-UHFFFAOYSA-N 299.399 3.555 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2CCOC(C)(C)C2)CCCC1(C)C 1262620919 SYIHZOOVDCUNBH-HUUCEWRRSA-N 293.451 3.785 30 20 CHED CC[C@@H](C)c1nnc(C(C)(C)c2cc(F)cc(C#N)c2)o1 1346661952 GBBOJAWDDQZIRL-SNVBAGLBSA-N 287.338 3.920 30 20 CHED C=C(CC)C(=O)Nc1cc(F)ccc1NC(C)C 1346611709 LXWCBSGMHPDTAI-UHFFFAOYSA-N 250.317 3.551 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1cccc(C#N)c1 1266687951 QTNGGQWCZBTPDU-MRXNPFEDSA-N 270.376 3.599 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](c1ncc(C)s1)C1CC1 1355025844 SUTNHMMUGXVHSJ-FZMZJTMJSA-N 278.421 3.621 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1c(F)cc(OC)cc1F 1355122365 SSPVNJXIRODEJG-LLVKDONJSA-N 295.329 3.544 30 20 CHED N#Cc1ncccc1SCc1csc(-c2ccco2)n1 1459072264 JVBYNBFTFMTOPE-UHFFFAOYSA-N 299.380 3.962 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1oc(C2CC2)nc1C(F)F 1525220042 KUEYWDFUISBLFB-QMMMGPOBSA-N 298.289 3.585 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1CCc1ccc(C#N)cc1 1459512350 GTROBXLBAXPUFO-ZTFGCOKTSA-N 268.404 3.754 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc3ccn(C)c3c2)c1 1535892893 IAJJNZRRDUCZIM-UHFFFAOYSA-N 289.338 3.611 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2csc(C#N)c2)c1 1534991990 QLNAPGNQBCWYMN-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C[C@@H](C(=O)O)c1cccc(NCC2CCC(C#N)CC2)c1 1603220840 DJRBOWDNVJNWJX-IYXRBSQSSA-N 286.375 3.617 30 20 CHED CCC1(CC)[C@H](Nc2cc(C)cc(C#N)c2)C[C@H]1OC 1621390461 VFASUASTLZPPRP-HZPDHXFCSA-N 272.392 3.872 30 20 CHED CC(CCc1cncc2ccccc12)=NN[C@H](C)C(F)F 1552762670 LCLGVAGERBZQPR-GFCCVEGCSA-N 291.345 3.787 30 20 CHED N#Cc1cccc(C(=O)Nc2cc(-c3cccs3)on2)c1 1638885823 VEJZUWRSJZYLLG-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC(C)C1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 1565738936 OLRXMKOZAWHDDV-QGZVFWFLSA-N 284.403 3.578 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1749271455 WFZUJTWTGVMAMP-YPMHNXCESA-N 296.846 3.608 30 20 CHED Cc1cc(Sc2cnc3ccccc3n2)ccc1C#N 1655595403 DEANRIVHFOTHHT-UHFFFAOYSA-N 277.352 3.961 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)cc1C)C[C@H](C)O2 1653536459 OIUFCUGAPZIJGQ-HNNXBMFYSA-N 292.382 3.963 30 20 CHED CCN(Cc1ccc(OC)c(C(C)(C)C)c1)C[C@H](C)C#N 1663929301 JFDMZPGZSRECRR-CQSZACIVSA-N 288.435 3.974 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc3c(c2)CCC=C3)C1 1596978146 LSNFARUFQRMAMI-CXAGYDPISA-N 281.355 3.885 30 20 CHED C[C@@H](NC(=O)Nc1sccc1C#N)[C@@H]1C[C@H]2CC[C@H]1C2 1673279311 SBSFEGISIALXNT-BLFANLJRSA-N 289.404 3.566 30 20 CHED CC(C)CON=Cc1csc2ccc(C(=O)O)cc12 1776112230 OJOSJETXPOODGG-UHFFFAOYSA-N 277.345 3.606 30 20 CHED CCCc1cccc(/C=C/c2nc(C(=O)O)ccc2C#N)c1 1776835718 CHHIATFMJWQWJF-VQHVLOKHSA-N 292.338 3.774 30 20 CHED CC(C)[C@@H]1CCCCC1=NNc1ccc(CC(=O)O)cc1 1776084928 XXLFLDMOZWXSSN-HNNXBMFYSA-N 288.391 3.928 30 20 CHED C=C(Cl)C[C@H](NCc1cc2ccccc2s1)C(=O)O 1776142863 DNPZNTHXTYIDSL-LBPRGKRZSA-N 295.791 3.587 30 20 CHED N#CCSCCCSc1ccc(C#N)cc1Cl 163307145 HRAKZGKQIOHUHP-UHFFFAOYSA-N 282.821 3.951 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCCO2)c(Cl)c1 163313507 KQOUFOUYKMCWNS-NSHDSACASA-N 267.781 3.873 30 20 CHED N#CCOc1ccc(N[C@@H]2CCc3cc(F)ccc32)cc1 165280996 JXEPQGSNGLDEPG-QGZVFWFLSA-N 282.318 3.827 30 20 CHED C/C=C/C=C\C(=O)Nc1ccccc1SCCC#N 209931368 IZDOXKZWKQHXJG-VAIMCSMNSA-N 272.373 3.763 30 20 CHED CCC1CCC(Nc2ccc(OCC#N)cc2)CC1 20126404 FLTPKMWRBGQSSD-UHFFFAOYSA-N 258.365 3.970 30 20 CHED N#CC1(CN2CCCc3c(Br)cccc32)CC1 1660612010 ONYBBPCRTGKALC-UHFFFAOYSA-N 291.192 3.505 30 20 CHED CC(C)(CCC#N)CNc1ccc(Cl)cc1[N+](=O)[O-] 229678173 GQSWJMCHWVKEAU-UHFFFAOYSA-N 281.743 3.990 30 20 CHED N#CCc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 8126114 LTFPZUWRMJQOJZ-UHFFFAOYSA-N 282.368 3.555 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)cc1)CC(C)(C)C 37307085 CODFRJRQDFRPEA-GFCCVEGCSA-N 258.365 3.959 30 20 CHED C=CCOc1ccc(CNCc2cnc(CC)s2)cc1 285526916 KQHXDJJABAWZNX-UHFFFAOYSA-N 288.416 3.560 30 20 CHED N#Cc1ccc(NCCC2CC2)c(C(F)(F)F)c1 301474910 SBAYCCNDACRYHF-UHFFFAOYSA-N 254.255 3.789 30 20 CHED C[C@H]1SCC[C@H]1Nc1cccc(Br)c1C#N 309824704 HHNWJMYDHLNJFT-LDYMZIIASA-N 297.221 3.627 30 20 CHED Cc1nc(N2CCC[C@H]3CCC[C@H]32)c(Cl)cc1C#N 311523006 DIILDZXKTJUMQX-BXUZGUMPSA-N 275.783 3.684 30 20 CHED N#Cc1cccc(NC(=O)C(C2CCC2)C2CCC2)c1 312434416 WCTDPLYYJYHFHW-UHFFFAOYSA-N 268.360 3.713 30 20 CHED CC(C)(CNc1ncc(C#N)cc1Cl)c1ccccc1 608885096 JIRDRHIDSOAGCH-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C[C@H]1CCC[C@H](C(=O)Nc2cccc(CC#N)c2)C1 313455628 YANYLVLDFJSBSM-JSGCOSHPSA-N 256.349 3.517 30 20 CHED C[C@H](Cc1cccs1)Nc1ccc(OCC#N)cc1 689911825 FFDZSULCOSFTAO-GFCCVEGCSA-N 272.373 3.694 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1sccc1Cl 804837764 SVTKZOXCZJJDLN-UHFFFAOYSA-N 289.787 3.677 30 20 CHED CC1=C[C@H](C)C[C@H](CNCCc2cccc(C#N)c2)C1 569175483 NBAHVWQNQNJRNG-KSSFIOAISA-N 268.404 3.683 30 20 CHED CCCNc1nnc(SCc2ccccc2C#N)s1 7078789 PCNNBPLEWIETRB-UHFFFAOYSA-N 290.417 3.524 30 20 CHED C=C(C)CSc1nc2cc3ccccc3cc2c(=O)n1C 7168950 IGDMECCVXPYHSY-UHFFFAOYSA-N 296.395 3.755 30 20 CHED Cc1ccsc1C(=O)OCc1cn2ccccc2c1C#N 25164890 FYNTXXBJGMBITF-UHFFFAOYSA-N 296.351 3.538 30 20 CHED Cc1cccc(C(=O)/C=C/c2cccc3c2OCO3)c1 44024754 NTWDNMBGISPESA-CMDGGOBGSA-N 266.296 3.620 30 20 CHED Cc1ccccc1[C@@H]1CCCN1c1ncccc1C#N 48566527 AEOMSPLGJIXIGD-INIZCTEOSA-N 263.344 3.603 30 20 CHED N#Cc1cc(Cl)ccc1NCc1ccccc1F 52856868 SDNGTMTXHHNLSC-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(Cl)cc1C 60624923 QVPUDUNAUMCNJL-ZDUSSCGKSA-N 295.810 3.840 30 20 CHED N#Cc1cc(NCc2ccc(C(F)(F)F)cc2)ccn1 61812342 ZVVKSSVZHNKVRO-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CCCN(CC#N)C(=O)CCCCCc1cccs1 67268862 CYPWKWQDOUMVKO-UHFFFAOYSA-N 278.421 3.613 30 20 CHED Cc1cc(C)c(C)c(S(=O)(=O)/N=C(\O)C(C)(C)C)c1C 69603934 ONTRAUBMYDJMJI-UHFFFAOYSA-N 297.420 3.612 30 20 CHED N#Cc1ccc(CNc2ccccc2OCC2CC2)cc1 77247025 IBRLKVYNUHNWEA-UHFFFAOYSA-N 278.355 3.959 30 20 CHED O=C(CC1CCC1)Nc1cccc(C#Cc2ccccn2)c1 79435674 GFDNTCQDOXNDPL-UHFFFAOYSA-N 290.366 3.610 30 20 CHED N#Cc1cc(CNc2cc(F)ccc2F)ccc1F 83451452 FXPKIPGLXZYOMG-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C[C@@H]1CC(NCc2cc(C#N)ccc2F)C[C@@H](C)C1 84975101 SZUAJHYZNMPZDE-RYUDHWBXSA-N 260.356 3.612 30 20 CHED C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccc(Cl)s1 85441021 MVDHBRKKCIUWJH-WCBMZHEXSA-N 284.812 3.559 30 20 CHED CCn1c(-c2cccc(C)c2)nc2cc(C#N)ccc21 86635685 XVLZJHJQDRGZMA-UHFFFAOYSA-N 261.328 3.903 30 20 CHED COc1cc(F)ccc1NCC(C)(C)CCC#N 92118482 NNOIRWOOQGFJOA-UHFFFAOYSA-N 250.317 3.576 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1ccc(F)cn1 92748334 RYVYMLPUOSFSPR-CYBMUJFWSA-N 286.350 3.636 30 20 CHED N#Cc1ccncc1N[C@H]1C[C@@H]1c1c(F)cccc1Cl 94164797 NYYCRBHNKRSIGQ-GWCFXTLKSA-N 287.725 3.714 30 20 CHED Cc1cc(NC(=O)N(C)Cc2cccc(C#N)c2)ccc1F 103243335 HATPPRBJUGNMGI-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CC(C)[C@@H](CC(=O)N(CCC#N)CC1CC1)c1ccccc1 103437422 DXYFMEBEEBIWQC-GOSISDBHSA-N 298.430 3.969 30 20 CHED N#Cc1ccc(NCc2c(Cl)cccc2[N+](=O)[O-])cc1 107904403 NYZXENHTBCMAAI-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)c2ccccc2OC)CC1 110360943 JOROEECADXSIIW-CQSZACIVSA-N 287.403 3.613 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 110364114 LXNFWDUNAJEVIZ-CHWSQXEVSA-N 289.341 3.780 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(-n2cccc2)ccc1F 114006960 QZQOKHGBQFLFER-UHFFFAOYSA-N 299.349 3.822 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H](CCN)C1 115859404 VHXARNBXDPIPFX-MRXNPFEDSA-N 282.472 3.715 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(SC(C)C)cc1 116850106 HGSFPPPYTFOLLF-LBPRGKRZSA-N 263.406 3.882 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1C(F)(F)F 116931821 YFSAENBTBKPJTN-VIFPVBQESA-N 272.270 3.792 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1cc2ccccc2o1 116959873 ADGMRMFUSAWJDO-NWDGAFQWSA-N 272.348 3.758 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C(F)(F)F 117033797 NZBLAQPALYPEDK-PWSUYJOCSA-N 286.297 3.554 30 20 CHED C=CCCC(=O)N[C@@H](c1ccc(F)cc1F)C(C)C 119546130 IMZKVPPGBHZTTK-OAHLLOKOSA-N 267.319 3.744 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCOc2ccccc21)C1CC1 121088640 HNKTXYSOIBJVBM-DOTOQJQBSA-N 271.404 3.887 30 20 CHED O=C(O)c1cccc(/C=C/C(=O)C2CCCCC2)c1 126336841 IZFGWXHTAREKBN-MDZDMXLPSA-N 258.317 3.547 30 20 CHED C=CCSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 127215715 MGZGOATYGKAGMA-PWSUYJOCSA-N 251.399 3.616 30 20 CHED C[C@H]1CC[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)O1 127903091 FVRMVLHLSXWLCX-ONGXEEELSA-N 284.281 3.556 30 20 CHED COc1ccc(C#N)cc1CNC(C)(C)CC(C)(C)C 130286350 GVYLSOJXIHYESL-UHFFFAOYSA-N 274.408 3.871 30 20 CHED Cc1cc(C)c(C#N)c(SCC(=O)C2CCCCC2)n1 133047340 YVMPRTZTFLMHES-UHFFFAOYSA-N 288.416 3.812 30 20 CHED C=CCC[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccccc1 133797194 ZXAXIPKHMKNMAS-IRXDYDNUSA-N 287.403 3.769 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)CCSCC)c1ccccc1 136850503 XAPVQYFXUGEHBN-CABCVRRESA-N 291.460 3.994 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(C(=O)CC)c2)CC1 152307071 HKDYMPCHLDJUQL-UHFFFAOYSA-N 286.375 3.709 30 20 CHED C=CCC[C@@H](NC(=O)NCC(F)(F)F)c1ccccc1 153294766 SEVCUDZVQHACSE-GFCCVEGCSA-N 286.297 3.555 30 20 CHED CSc1cc(C(=O)NC2(C#N)CCCCC2)ccc1F 156834864 GIKDFBYVBILXJM-UHFFFAOYSA-N 292.379 3.504 30 20 CHED C=CCN(CC=C)Cc1cn[nH]c1-c1cccc(C)c1 158130834 LXSDRPAGPOTXME-UHFFFAOYSA-N 267.376 3.559 30 20 CHED C=CCCCCCN(C)C(=O)c1ccnc(Cl)c1F 163192279 QKJTZMGUXVFTLJ-UHFFFAOYSA-N 284.762 3.693 30 20 CHED CCOC1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 164425309 JICLYUDLPLTKPW-UHFFFAOYSA-N 298.308 3.582 30 20 CHED C=CCN(C(=O)c1cc(C)ccc1F)c1ccccc1 171266455 UCQATJHBDUQGTM-UHFFFAOYSA-N 269.319 3.967 30 20 CHED N#Cc1ccccc1SCc1nc2ccccc2[nH]1 173717053 MOGGKCVOKKMEMG-UHFFFAOYSA-N 265.341 3.727 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Oc2ccccc2)ccn1 174222112 SOTXBUVUVMNIRR-UHFFFAOYSA-N 296.370 3.912 30 20 CHED CCCCOc1ncccc1CNCC(C)(C)CCC#N 174307422 NVZMGGPOPUVHQY-UHFFFAOYSA-N 289.423 3.680 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CCC(F)(F)F 175786610 OZXVIMHZFMVTTO-UHFFFAOYSA-N 299.296 3.661 30 20 CHED C[C@H](OC(=O)Cc1ccccc1F)c1ccc(C#N)cc1 175789558 NLYKITBGAVBFHM-LBPRGKRZSA-N 283.302 3.544 30 20 CHED CCCC(CCC)[S@](=O)Cc1ccc(C#N)cc1 177109269 MVNZWZULBJKBCA-GOSISDBHSA-N 263.406 3.776 30 20 CHED C=C(C)CS[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 177864222 SHSJZEVHHGLHMV-KBPBESRZSA-N 277.433 3.604 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1ccc(F)c(F)c1 178087396 MBGOQPVWPOEFFW-IBGZPJMESA-N 285.359 3.543 30 20 CHED N#Cc1ccc(CN[C@H]2CCCOc3cc(F)ccc32)cc1 181034927 PCDDMPQWXSQOJV-KRWDZBQOSA-N 296.345 3.701 30 20 CHED C[C@@H](CN[C@H](C)c1cccc(C#N)c1)Oc1ccccc1F 181829255 JAJOUXULVFSIIW-UONOGXRCSA-N 298.361 3.815 30 20 CHED C[C@@H](NCC#Cc1ccc(F)cc1)c1cccc(F)c1F 181961863 YNBXZSYJLRJUMW-GFCCVEGCSA-N 289.300 3.806 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1cncc(F)c1 182290554 MFVVFIPICRTYEP-HWKANZROSA-N 259.255 3.564 30 20 CHED C#CCC(C)(C)C(=O)NCCc1ccc2ccccc2c1 185118333 HYGXFGSHIUWJQB-UHFFFAOYSA-N 279.383 3.548 30 20 CHED C=Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 185240294 NAXYSUSUYGCYHL-UHFFFAOYSA-N 262.312 3.648 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1cccc(C)c1C 188856906 AONUKXFSGGSLIV-QAPCUYQASA-N 289.419 3.709 30 20 CHED CCc1cccc(CN(CCC#N)Cc2ccccn2)c1 189511156 HSBUMCRUBQQFKD-UHFFFAOYSA-N 279.387 3.560 30 20 CHED Cc1ccc(C(=O)COc2ccc(C#N)c(Cl)c2)s1 190252485 OVBVDAWTXJKDPC-UHFFFAOYSA-N 291.759 3.843 30 20 CHED C#CCCCC(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 190674996 DJESTUHKXBWQNY-KSSFIOAISA-N 269.388 3.620 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(N(C)C(C)C)nc1 191463060 QUUITJGKOLZIAF-UHFFFAOYSA-N 294.402 3.718 30 20 CHED Cc1nsc(NCCc2ccc(Cl)s2)c1C#N 226338024 LWGVMZSMRLBPSI-UHFFFAOYSA-N 283.809 3.693 30 20 CHED Cc1ccc(C#N)c(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)n1 245710343 FAIPVBRMCRAPKI-CJNGLKHVSA-N 295.361 3.783 30 20 CHED CCN(CCCSCC#N)[C@@H]1CCCC[C@H]1C 249401425 SSMJUQBCSNKBJR-ZIAGYGMSSA-N 254.443 3.534 30 20 CHED CC[C@@H]1c2ccsc2CCN1C(=O)C1(C#N)CCCC1 251991479 JFOCHNIUFICKNF-CYBMUJFWSA-N 288.416 3.668 30 20 CHED CCc1ccc(C(=O)/C=C\c2cn(C)nc2CC)s1 255144870 WWHYCYXEGIBYRT-VURMDHGXSA-N 274.389 3.503 30 20 CHED C/C(=C/C(=O)OCCCC#N)c1cccc(Cl)c1 255195722 XZOPIOPPEDDZEB-LUAWRHEFSA-N 263.724 3.590 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C\SCc1ccco1 255511298 SNTDSMLZSFIYLQ-CLFYSBASSA-N 298.367 3.845 30 20 CHED CCN(CCC#N)Cc1cc(Cl)cc2cccnc12 266917118 KXOCHKIFSVCQMQ-UHFFFAOYSA-N 273.767 3.624 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 270312131 HNYHJMYOXFFUPF-INIZCTEOSA-N 284.403 3.651 30 20 CHED C[C@@H](NCCCC#N)c1ccc(SC(F)F)cc1 271829150 WKZHPCAGGBDOJQ-SNVBAGLBSA-N 270.348 3.956 30 20 CHED C#CC[C@H](NC(=O)N1CC2(CCCCC2)C1)c1ccccc1 273656441 FYBXUCOXVIKERF-KRWDZBQOSA-N 296.414 3.727 30 20 CHED CC#CCCCC(=O)Nc1c(F)cccc1Br 274322488 GPXJYFNSLKFYHI-UHFFFAOYSA-N 298.155 3.720 30 20 CHED CCN(CCC(C)(C)C#N)c1ccc2[nH]ccc2c1 276325387 FAJXMLFTYQAVQC-UHFFFAOYSA-N 255.365 3.934 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)cnc1Cl 276428927 CUVQUCCGIAIJNT-UHFFFAOYSA-N 264.756 3.750 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1c[nH]c2cc(F)ccc12 277004641 ZYOQBQMYNBOIBY-QGZVFWFLSA-N 288.366 3.568 30 20 CHED Cc1cnc(C2CCN(c3ccc(C#N)cc3)CC2)s1 277409489 HMYLVZNYECIOPP-UHFFFAOYSA-N 283.400 3.707 30 20 CHED CC[C@H](NC1CC(C)(C)NC(C)(C)C1)c1ccc(C#N)cc1 278330181 WAWNQPWRFJWHHJ-KRWDZBQOSA-N 299.462 3.908 30 20 CHED CN(Cc1cccc(OC(F)(F)F)c1)[C@H]1CC[C@H](C#N)C1 278623387 NMVKVEGBKOYMQD-AAEUAGOBSA-N 298.308 3.709 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N([C@H]2CC[C@H](C#N)C2)C1 278656518 QCXRGGUWCJTSPM-NXOAAHMSSA-N 268.404 3.865 30 20 CHED CCC(CC)C(=O)Nc1cc(C#N)ccc1OC(F)F 279580305 MXOILWXQZUWGRF-UHFFFAOYSA-N 282.290 3.534 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 280670777 PTPNQXJSYOUJCZ-DOTOQJQBSA-N 294.354 3.526 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)c1cn(C)c2ccccc12 280987310 BWYMOLSRNADWEY-KGLIPLIRSA-N 284.403 3.753 30 20 CHED C=CCCCC(=O)Nc1cc(-c2ccnn2C)ccc1C 281132399 UGHIKTSAMNSXGB-UHFFFAOYSA-N 283.375 3.690 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)[C@@](C)(C#N)CC 285131493 WGVWIINQFQHCOT-GOSISDBHSA-N 298.386 3.893 30 20 CHED CC(C)(C#N)CCCOc1ccc2c(c1F)CCC2=O 286687476 ZEDFFQJEQOUJLE-UHFFFAOYSA-N 275.323 3.663 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CCc2ccsc2)cc1 290271318 WMPWFLXJPODHLZ-MRXNPFEDSA-N 298.411 3.624 30 20 CHED C=CCC1(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC1 292231060 IYMIHAFZWIEBRD-UHFFFAOYSA-N 294.738 3.933 30 20 CHED C=CCN(CCC#N)[C@@H](C)c1ncc(-c2ccccc2)o1 292252760 QZVKLYKGVWJHMJ-AWEZNQCLSA-N 281.359 3.804 30 20 CHED C=CCN(CCC#N)C(=O)/C=C(\C)c1ccccc1Cl 292591869 ZHEYPYYQKLKLIQ-OUKQBFOZSA-N 288.778 3.672 30 20 CHED CC(C)(C#N)CCCN[C@H](c1ccccc1)C(F)F 292754490 ODMCLRSCUYSBGU-CYBMUJFWSA-N 266.335 3.912 30 20 CHED CC(C)(CCC#N)CNc1ccc([C@@H]2CCOC2)cc1 293070070 SVIPNGBCNNPYKI-OAHLLOKOSA-N 272.392 3.932 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)C[C@H]1C 294337460 LCTKPUMLEOPRND-CPUCHLNUSA-N 284.403 3.589 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC1CC(F)(F)C1 294802708 CHFYICVVQPFGND-UHFFFAOYSA-N 278.346 3.816 30 20 CHED CCc1c(C(=O)N(CC#N)C2CCCC2)oc2ccccc12 294999691 PDFDUYJXDMSCGJ-UHFFFAOYSA-N 296.370 3.904 30 20 CHED Cc1sccc1CN(C)Cc1ccc(C#N)cc1 295460693 VWPCXYFJEHSQTK-UHFFFAOYSA-N 256.374 3.560 30 20 CHED CCCOc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1 295657914 AABBJNVBJQQACF-GOSISDBHSA-N 298.386 3.888 30 20 CHED CC(C)(CCNC(=O)Nc1ccc(CC#N)cc1)C1CC1 296507287 ZASUBRHYYWKDFO-UHFFFAOYSA-N 285.391 3.700 30 20 CHED CC(C)ONC(=O)Nc1ccccc1S[C@H](C)CC#N 296793574 WIBXDRBQPCASLE-LLVKDONJSA-N 293.392 3.542 30 20 CHED C=CCCc1noc(-c2cc(Cl)c(O)c(OCC)c2)n1 297324936 NOKPAIOOMLYPQY-UHFFFAOYSA-N 294.738 3.613 30 20 CHED N#Cc1ccc(Cl)cc1N1CC[C@H](Nc2ccccc2)C1 301209701 TVZJACFEVTXICU-INIZCTEOSA-N 297.789 3.902 30 20 CHED N#Cc1cc(Cl)ccc1NCCC(=O)Nc1ccccc1 301233995 CEJAAAUFTKFFDM-UHFFFAOYSA-N 299.761 3.652 30 20 CHED CCO[C@@H](CCNc1c(C#N)cnc2ccccc12)C(C)C 301424860 GPHQMRWBTBEHGD-KRWDZBQOSA-N 297.402 3.970 30 20 CHED Cc1ccc(SC[C@H](C)Nc2ncccc2C#N)cc1 302232596 CRBJVDPLEIXDSV-ZDUSSCGKSA-N 283.400 3.854 30 20 CHED COc1cc(Cl)ccc1CNc1c(C#N)cccc1C#N 302890680 PIHPCHDNINLIDN-UHFFFAOYSA-N 297.745 3.704 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/CCc2cccnc2)cc1 303777062 IMYOUMZYAMKUGT-CQSZACIVSA-N 296.418 3.564 30 20 CHED CCOc1cc(C#N)ccc1OCCOCc1ccccc1 309891482 MMMJXSGBFSKYBC-UHFFFAOYSA-N 297.354 3.553 30 20 CHED CCOC1(CNc2cc(Cl)ccc2C#N)CCCC1 311800511 BOJULUNJEBGUGS-UHFFFAOYSA-N 278.783 3.973 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CC3CCC2CC3)cc1 312872550 UKABUOOJOZVMET-ZBCRRDGASA-N 268.360 3.517 30 20 CHED C[C@H]1CC(=O)CC[C@@H]1C(O)=Nc1scnc1C1CC1 329027261 OMEAXLCTYMOWQQ-KWQFWETISA-N 278.377 3.614 30 20 CHED Cc1nc(C)c(C/N=C(/O)[C@@H]2C[C@H]2C2CCCCC2)o1 329198761 VSMITZNTYUFGTF-UONOGXRCSA-N 276.380 3.964 30 20 CHED CC(C)(C/N=C(/O)c1csc(O)n1)C1CCCCC1 329964010 UGNCTOYYFQNJAC-UHFFFAOYSA-N 282.409 3.760 30 20 CHED CCC[C@H]1CCCCN1/C(O)=N/CCc1cccc(C#N)c1 330999164 ZKEUKRDLPQSMJB-KRWDZBQOSA-N 299.418 3.669 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 332312183 MYVSARCQAHAUGQ-LBPRGKRZSA-N 289.354 3.741 30 20 CHED Cc1cccc(N(C)C(=O)c2ccc(F)c(C#N)c2)c1C 334299277 QHQUXOZBTVRSNI-UHFFFAOYSA-N 282.318 3.591 30 20 CHED CCc1nc(C)c(C(=O)Nc2scc(C)c2C#N)s1 335994530 QOYBMNHHXVMCDJ-UHFFFAOYSA-N 291.401 3.508 30 20 CHED N#Cc1cc(NC(=O)CC2CC(F)(F)C2)ccc1Cl 336226224 PICLYVJUXWSMQV-UHFFFAOYSA-N 284.693 3.586 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1csc(C(C)=O)c1 338857356 IITTWXDULFSGAW-UHFFFAOYSA-N 299.395 3.779 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 341448751 DCEOIPIPXHTSPD-CYBMUJFWSA-N 287.407 3.587 30 20 CHED C=CCCN(C)C(=O)[C@H](OC(C)(C)C)c1ccccc1 341983320 LUOZMDZLADZEKS-OAHLLOKOSA-N 275.392 3.577 30 20 CHED C=CCCN(C)C(=O)Cc1coc2cc(C)c(C)cc12 342041656 SDYGVDXTPBXWIA-UHFFFAOYSA-N 271.360 3.627 30 20 CHED C=CCN(Cc1ccccc1F)Cc1c(CC)noc1C 342203939 GJMXXKKNMDKIHC-UHFFFAOYSA-N 288.366 3.873 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ncc(C)o1 344009327 HZSRWYFVFGKVRZ-UHFFFAOYSA-N 285.347 3.593 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1ccccc1CC#N 344408494 ZXWBOYQXBINFKF-GXTWGEPZSA-N 256.349 3.517 30 20 CHED Cc1csc(CN=c2c(C#N)c[nH]c3ccccc23)c1 344628285 MVVIMSXMSTVVMP-UHFFFAOYSA-N 279.368 3.510 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CCC(F)(F)C1 345103276 HIUFTFOTJBFIER-UHFFFAOYSA-N 293.704 3.605 30 20 CHED N#C[C@H]1CCC[C@@H]1NCc1cnc(-c2ccsc2)s1 350394693 RUAKZWVQQHLJGW-MFKMUULPSA-N 289.429 3.653 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccco1)c1ccccc1 351543327 JJNKBJMTYFMUEY-MRXNPFEDSA-N 271.360 3.613 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)NCC(C)(C)CCC#N 353553351 RQWJMYGTMPKPKY-CYBMUJFWSA-N 281.444 3.830 30 20 CHED C=CC[C@H]1N(C(=O)c2cc[nH]c2CC)CCCC1(C)C 355329253 BQVJBRQUNQKDFX-OAHLLOKOSA-N 274.408 3.784 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1CN(C)C1CCCCC1 357833647 PWVAGMVRTLGBTB-CQSZACIVSA-N 299.418 3.549 30 20 CHED N#Cc1ccc(NCCc2ccncc2)c(C(F)(F)F)c1 361709086 UBWIEWOLRUAZBP-UHFFFAOYSA-N 291.276 3.627 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cccc2ccsc12 362300723 NOGVDWBWRPCTIR-NSHDSACASA-N 272.373 3.523 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)cs1 379017101 AHMIIEWECGTFNJ-UHFFFAOYSA-N 298.411 3.981 30 20 CHED Cc1ccc2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)[nH]c2c1 408399085 FHEKAFMJANKFFS-INIZCTEOSA-N 295.386 3.631 30 20 CHED CC(C)(C)[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C1 409718297 GHGCNRGIHMKALN-SNVBAGLBSA-N 297.324 3.844 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccccc1CCC(F)(F)F 410566635 YZUWLULDOJQFCT-QMTHXVAHSA-N 296.292 3.670 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 410832500 DDMFWHUFARATKT-QLFBSQMISA-N 290.794 3.594 30 20 CHED N#CCCN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 411820308 RKUOSLKBRJNGSP-CQSZACIVSA-N 288.782 3.657 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cccc(Cc2ccccc2)c1 412247147 KRLCJTINEOCCMJ-SFHVURJKSA-N 292.382 3.699 30 20 CHED Cc1ccc([C@H](C)N(C)c2ncc(C#N)cc2F)cc1 413060015 IDVGAGOLFZHOHC-LBPRGKRZSA-N 269.323 3.598 30 20 CHED C[C@@H]1O[C@H](C)C[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 413530478 JZUYRTWVNWSDEK-JFGNBEQYSA-N 298.308 3.802 30 20 CHED C[C@@H](NC(=O)NCCCCC#N)c1ccc(C2CC2)cc1 416697041 VKGVOERFBAKWNZ-CYBMUJFWSA-N 285.391 3.618 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc(C2CC2)cc1 419326887 CMICLOXNKNMABM-ZDUSSCGKSA-N 254.377 3.908 30 20 CHED CC(C)(C)[C@H](Nc1cncc(C#N)n1)c1cccc(F)c1 420606465 YEMRTUQAXWRJQC-OAHLLOKOSA-N 284.338 3.687 30 20 CHED N#Cc1ccnc(N2CC[C@H](C3CCCC3)C2)c1Cl 420620510 QKEKQZLYDWEVEC-ZDUSSCGKSA-N 275.783 3.623 30 20 CHED Cc1c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)ccc(C#N)c1C#N 421559648 PHFRYISQCUZZQX-YDHLFZDLSA-N 293.370 3.503 30 20 CHED N#CCC1(CNCc2csc(-c3cccs3)n2)CC1 430022708 MGXKIXWFKJCIKX-UHFFFAOYSA-N 289.429 3.655 30 20 CHED N#CCC1(CNCc2cc(Cl)ccc2Cl)CC1 430041753 WPDGZTIJKFBGPX-UHFFFAOYSA-N 269.175 3.777 30 20 CHED CCCC[C@@H](CCC)CNC(=O)NCC1(CC#N)CC1 430860160 IMYVPDHPDGQJKD-CQSZACIVSA-N 279.428 3.586 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(F)c(Cl)c1 435740703 FWJZDFCCEVOICS-DOMZBBRYSA-N 283.774 3.550 30 20 CHED COc1cc(NCC#Cc2cccc(Cl)c2)ccc1F 435900948 GYNWQAUITGAIND-UHFFFAOYSA-N 289.737 3.951 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CC(c2ccc(C)cc2)C1 436313421 WVFXAXPATQDFLN-UGXKVIGPSA-N 285.431 3.812 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C)cc2O)n1 436567420 SOKXLTYDIDALKN-UHFFFAOYSA-N 258.321 3.604 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)s1 437497434 MMFWAERRWJNQEN-SWLSCSKDSA-N 293.432 3.583 30 20 CHED C=CC[C@H](CC)Nc1ccc(C(=O)CC)cc1[N+](=O)[O-] 440637765 ONZQDFKAJTWBJV-LBPRGKRZSA-N 276.336 3.954 30 20 CHED N#C[C@H]1CC[C@H](NCC2(c3ccc(Cl)cc3)CC2)C1 442790775 HPZMDVGEJLPYGF-WFASDCNBSA-N 274.795 3.653 30 20 CHED Cc1cc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)ccc1C#N 443996108 PIEWTMNWSZHXTA-DLBZAZTESA-N 286.419 3.548 30 20 CHED CC#CCN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 444803731 PWNKKULVFAYLMR-LLVKDONJSA-N 279.664 3.695 30 20 CHED Cc1ccc([N+](=O)[O-])c(OCc2ccc(C#N)c(C)c2)c1 447288281 TWMYPEZNSLLMLV-UHFFFAOYSA-N 282.299 3.662 30 20 CHED Cc1cc([C@@H](C)N[C@@H]2CCC[C@@H](C#N)C2)ccc1F 449372105 CIPQQRQXNBDSJI-UMVBOHGHSA-N 260.356 3.867 30 20 CHED C=C(C)CCNCc1cccc(OC)c1OC(C)C 449473322 HRDAROBSAFDTHF-UHFFFAOYSA-N 263.381 3.538 30 20 CHED CO[C@@](C)(CNCc1ccc(C#N)c(C)c1)c1ccccc1 449482878 DKOHUFSCZVIBTR-IBGZPJMESA-N 294.398 3.518 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ncc(C)s2)CCCC1 450067800 PZTFLZJBVGHGIF-GFCCVEGCSA-N 278.421 3.765 30 20 CHED N#CC[C@H](CC(=O)NCC1=CCCCC1)c1ccccc1 452294780 XKRAMZPFWANEMK-QGZVFWFLSA-N 282.387 3.691 30 20 CHED C=CC(C)(C)CNC(=O)CCc1cc2ccccc2o1 452775331 HKAIUMCTYVZNHU-UHFFFAOYSA-N 271.360 3.694 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cc(C)ccc1OC(F)F 453380971 ZZQNLAFEZRCTLD-STQMWFEESA-N 299.361 3.574 30 20 CHED CC(C)[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)[C@@H]1C(C)C 456319551 GBLCYDUXKDOIAG-DLBZAZTESA-N 284.403 3.505 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCCCS2)CCCCC1 456361160 FKFZOIUCLFMECY-ZDUSSCGKSA-N 267.438 3.667 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NCc1ccc(C#N)c(F)c1 456828900 DXKMXKFUYQCLOQ-GFCCVEGCSA-N 290.382 3.776 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCOC(C)(C)C2)CCCCC1 457196183 ZSLWIFCNINKUDW-HNNXBMFYSA-N 293.451 3.834 30 20 CHED CN(C(=O)CC(C)(C)C#N)[C@H]1CCC[C@@H]1c1ccccc1 458032331 UHVBRWMUROHKFE-CVEARBPZSA-N 284.403 3.721 30 20 CHED CC#CCCNC(=O)c1ccc(Cl)cc1SCC 461479046 JYXXWUPXWZTLNF-UHFFFAOYSA-N 281.808 3.595 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 464400560 CDGUJDBBPNRTOI-UWVGGRQHSA-N 276.405 3.902 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 464759413 YCDJANJJJFQAMN-HOCLYGCPSA-N 274.408 3.532 30 20 CHED C=C[C@H](C)NC(=O)Cc1ccc(-c2ccccc2)cc1 465122426 PZOQGMUVOYMQBY-AWEZNQCLSA-N 265.356 3.587 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)C=C 465122500 UEOLRUNCGQZBDY-JTQLQIEISA-N 299.292 3.575 30 20 CHED C=CCCN(C)C(=O)NCC1(CC)CCCCC1 467104537 YJHWAMJCMCNXPF-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CCCN(C)Cc1ccc(F)c(C(F)(F)F)c1 467374853 BNNHMVRNVSRZHO-UHFFFAOYSA-N 261.262 3.852 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H]1c1ccccc1 467828214 JYTXDFZMWDZZMX-MRXNPFEDSA-N 255.361 3.728 30 20 CHED C=CCc1cc(CN[C@H](C)CCC2CC2)cc(OC)c1O 468847630 FSBBPILSCLUHHG-CYBMUJFWSA-N 289.419 3.798 30 20 CHED C=CCCCCNCc1cc(C)c2ncccc2c1 472043427 ULKGVDKTWUTLAW-UHFFFAOYSA-N 254.377 3.989 30 20 CHED C=CCC[C@H](O)CN(CCC)[C@@H](C)c1ccccc1OC 472795704 RTPKNCGSPCNFCU-HOTGVXAUSA-N 291.435 3.795 30 20 CHED C=C[C@@H](C)NC(=O)CCc1cc(Cl)cc(Cl)c1 481852560 FGYODGZQIOYJTR-SECBINFHSA-N 272.175 3.617 30 20 CHED CCc1cccc(CC)c1NC(=O)c1ccc(C#N)s1 486662637 ATSJWCRBZIBSSY-UHFFFAOYSA-N 284.384 3.997 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)s1 487332628 IFACAIGVRBLOGU-GXTWGEPZSA-N 290.432 3.954 30 20 CHED C=CCCCCNCc1ccc(OCC)c(F)c1 487579727 WUHXBHFADXKTTA-UHFFFAOYSA-N 251.345 3.670 30 20 CHED Cc1nc(SCC2(C#N)CC2)[nH]c1-c1ccccc1 488276692 IUTQYOIHYFLQAY-UHFFFAOYSA-N 269.373 3.781 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1oc(-c2ccccc2)nc1C 488874414 CLZHAMZZGKGMKV-HNNXBMFYSA-N 296.370 3.831 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1CC(C)(C)C 489016954 SKNIKANCINEPAI-CQSZACIVSA-N 274.408 3.715 30 20 CHED C[C@@H]1C[C@H](NC2CCC(Oc3ccccc3C#N)CC2)[C@@H]1C 495051384 VMNALOWSJWKELG-OCLKOUHBSA-N 298.430 3.882 30 20 CHED CCOc1c(Cl)cccc1CN(CC)C[C@H](C)C#N 495175929 VUDXIQZACQDAIW-GFCCVEGCSA-N 280.799 3.720 30 20 CHED CCc1ccc(C(C)(C)C(=O)N(C)CC(C)(C)C#N)cc1 497233796 ZUJKRLKTCWZTTP-UHFFFAOYSA-N 286.419 3.535 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(F)c(C)c2)c1 504281022 VHCKPINSEOCVLF-UHFFFAOYSA-N 285.318 3.951 30 20 CHED C=CCOc1ccc(CN(C)[C@H](C)CCC)cc1OC 506994808 LPSFVAPRIJHVGM-CQSZACIVSA-N 277.408 3.880 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc(C#N)cc2)n1 508645691 OFZPGVWHJGNKQX-CSKARUKUSA-N 265.316 3.620 30 20 CHED Cc1ccccc1-c1noc(-c2cccc(C#N)c2C)n1 511202863 XIOJABZJVNERGX-UHFFFAOYSA-N 275.311 3.892 30 20 CHED CC(C)(NCc1ccc(C#N)cn1)c1cccc(Cl)c1 518877919 AHXDBNNRYLDSSX-UHFFFAOYSA-N 285.778 3.632 30 20 CHED N#Cc1cccnc1NCc1cccc(Cl)c1Cl 521147870 GSEDUOMYXYEOFA-UHFFFAOYSA-N 278.142 3.872 30 20 CHED CCN(Cc1ccc(C)cc1)c1ccc(C#N)cc1[N+](=O)[O-] 521763230 IBXPDJSDIZQGSH-UHFFFAOYSA-N 295.342 3.801 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)C(C#N)(CC)CC)C1 528710214 VTWXQSKZLVIYLH-HNNXBMFYSA-N 264.413 3.745 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1Cc1cccc(OC)c1 530882774 OAPBJMLTQUZSFU-INIZCTEOSA-N 287.403 3.585 30 20 CHED Cc1ccc([C@@H](C)N(C)c2cccc(C#N)n2)c(C)c1 531385755 USLHBEXSFKYHOW-CQSZACIVSA-N 265.360 3.768 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CC(C)(C)c1ccccc1 534596984 CCFVUQNLXDMKFH-SFHVURJKSA-N 286.419 3.799 30 20 CHED CCO[C@@H]1C[C@H](N(C)CCC(C)(C)C#N)C12CCCCC2 535664126 XNHWABSUJUXHRM-JKSUJKDBSA-N 292.467 3.986 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCOc1cccc(F)c1 537237729 MDCJXKLLZQIPRJ-AWEZNQCLSA-N 293.382 3.846 30 20 CHED CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)C1(CC)CC 537297020 KQPVLESHBFDLEP-IAGOWNOFSA-N 286.419 3.632 30 20 CHED C=CCC[C@@H](NCc1nnsc1Cl)c1ccccc1 539360904 XVJZGSRWPXSXOE-GFCCVEGCSA-N 293.823 3.989 30 20 CHED CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1 545458534 XXGXPXBSJUIPTI-MFKMUULPSA-N 270.298 3.940 30 20 CHED C/C=C/COc1ccc(CC[C@H](C)NC[C@H](C)C#N)cc1 547361820 PERULHLLEUTNCV-SGFLJFKBSA-N 286.419 3.712 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C(C)C)C1 549702916 VYWRWHAKLRWNBI-HUUCEWRRSA-N 290.455 3.850 30 20 CHED CCN(CCc1cccs1)c1nccc(C#N)c1Cl 553488965 DUPUZHGEKMYZAI-UHFFFAOYSA-N 291.807 3.737 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 554810364 LQNCUYDYHMQASO-NTZNESFSSA-N 290.329 3.506 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)cc1)CC2 555745364 ABGKWMXPTJFUQE-UHFFFAOYSA-N 297.745 3.806 30 20 CHED C=CCC1(C(=O)Nc2cccc(-c3cnn[nH]3)c2)CCCC1 556210364 BJUMTFISQOYGSI-UHFFFAOYSA-N 296.374 3.547 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2ccc3c(c2)OCO3)n1 556362005 WKUQZUAEVIPYNB-VURMDHGXSA-N 298.342 3.822 30 20 CHED CC(C)(C)c1cnc(CN2CCC(CC#N)CC2)s1 560046062 GKMCYZMKLXHIHK-UHFFFAOYSA-N 277.437 3.566 30 20 CHED Cc1ccccc1C[C@H](NCc1cccc(C#N)c1)C1CC1 567928446 XFUQXTGVPGLFAD-FQEVSTJZSA-N 290.410 3.978 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)CC1 569724886 QXKSRYZBEQSPEH-MJEQTWJJSA-N 274.408 3.712 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H]2CCCC[C@@H]21 570040331 NFAXMKGWQWZSRB-KKUMJFAQSA-N 264.413 3.705 30 20 CHED C=C(C)CCOc1c(C(=O)OCC)cnc2ccccc12 574122464 VOXGFERVDJNWNG-UHFFFAOYSA-N 285.343 3.757 30 20 CHED N#Cc1ccc(CN2CC[C@H]2c2ccc(Cl)cc2)nc1 582428721 XRJUVEPTQFQRNB-INIZCTEOSA-N 283.762 3.554 30 20 CHED N#CC1(CCN2CCC[C@@H]2[C@@H]2CCCOC2)CCCCC1 584348637 BVKYVCQWROKRRT-IAGOWNOFSA-N 290.451 3.742 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NC(=O)CCCCCC#N 588662806 NMQTUGPKXTXEBK-KDOFPFPSSA-N 284.403 3.900 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@@H](C2CC2)C1 588855216 ZVEWWNHRXMAMMJ-CYBMUJFWSA-N 260.768 3.838 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 590841282 UQIAWKKWXWYDDO-WBMJQRKESA-N 299.418 3.669 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCCOC(C)(C)C 591853667 VYILKMYWQKMVHE-AWEZNQCLSA-N 274.408 3.756 30 20 CHED CCCOc1ccc(NC(=O)[C@@H](C#N)CC)cc1Cl 593414058 FQWKAYSJTFRBAQ-SNVBAGLBSA-N 280.755 3.617 30 20 CHED C[C@@H](CSc1ccccc1)N(C)c1cccc(C#N)n1 593483004 WTPCLGUHRFVLQO-ZDUSSCGKSA-N 283.400 3.570 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 594093597 QLENNPMYVVYBSY-ZYHUDNBSSA-N 296.823 3.581 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)CCC2CCCCCC2)C1 594338629 BYDOQOGTJSUOJF-KRWDZBQOSA-N 276.424 3.889 30 20 CHED CCC[C@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CCC1 594368880 QUXGMETYIPGVAO-KSSFIOAISA-N 298.430 3.822 30 20 CHED Cc1csc(-c2ccc(C3(C#N)CCOCC3)cc2)n1 594629530 ZFBWUVZGPMFTSI-UHFFFAOYSA-N 284.384 3.690 30 20 CHED CC(C)(C#N)c1ccc(CN[C@@]23CCC[C@@H]2C3)cc1 594954481 ZZDPWSNSEYBIOV-NVXWUHKLSA-N 254.377 3.520 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)[C@H](C)c1ccccc1 595536695 SQBMZRKJLTVOTB-JYJNAYRXSA-N 299.418 3.514 30 20 CHED CCN(CCn1ccc2cc(Cl)ccc21)[C@H](C)C#N 595820169 KKRMUTBDVHTLTO-GFCCVEGCSA-N 275.783 3.529 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2ccc(C#N)cc2)CCCC1 596164557 ODEHHXJOFRHCMG-CQSZACIVSA-N 297.402 3.807 30 20 CHED CCCn1nc(C)c(-c2ccc(CC#N)c(C)c2)c1C 596640689 PGCORQKPTCBSDC-UHFFFAOYSA-N 267.376 3.951 30 20 CHED N#CC1(CC(=O)NCC2(c3ccccc3)CC2)CCCCC1 596695221 QUEJJIFZIVRBNI-UHFFFAOYSA-N 296.414 3.699 30 20 CHED CC(C)(C)[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 597153540 JTYGOGYMBQRJEZ-AWEZNQCLSA-N 276.424 3.888 30 20 CHED N#CC1(CC(=O)Nc2ccc(O)c(Cl)c2)CCCCC1 597423548 YVPGFMBDGFNMGP-UHFFFAOYSA-N 292.766 3.848 30 20 CHED CC(C)c1ccc(CCC(=O)N2CCC[C@@H](CC#N)C2)cc1 597912173 BRAOQOOCBWZHJZ-KRWDZBQOSA-N 298.430 3.895 30 20 CHED C=CCCSCCNC(=O)C[C@@H](C)c1ccccc1 597975082 XCOITXZDWWPKNI-CQSZACIVSA-N 277.433 3.606 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](CCc2ccccc2)C(F)F)C1 599072052 XBNHMDUDNKWNPG-PMPSAXMXSA-N 292.373 3.925 30 20 CHED Cc1cc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)ccc1C#N 599515833 VLSJSWLGNFOWSW-STQMWFEESA-N 278.346 3.590 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)Cc1cccc(C#N)n1 602437528 BFFWAIWUCOYSJA-LBPRGKRZSA-N 285.778 3.800 30 20 CHED CC(C)N(Cc1cccc(F)c1)Cc1cccc(C#N)n1 602441145 USGYQKXRJMWZKE-UHFFFAOYSA-N 283.350 3.503 30 20 CHED C[C@@H](CCC#N)CNc1cccc(OC[C@@H]2CCCO2)c1 602487432 MAMFKJBJUCLQTP-YOEHRIQHSA-N 288.391 3.596 30 20 CHED C[C@@H](CCC#N)CNCC1(c2ccccc2)CCC1 602508394 BWKPVMABXUBVQA-HNNXBMFYSA-N 256.393 3.638 30 20 CHED CC(C)[C@H](NCc1cccc(C#N)n1)c1ccc(F)cc1 602514288 SLPXIKZYFNMICZ-KRWDZBQOSA-N 283.350 3.579 30 20 CHED COc1ccccc1C[C@H](NC[C@H](C)CCC#N)C(C)C 602574362 ZHHRHGLSBCKLLJ-WBVHZDCISA-N 288.435 3.792 30 20 CHED N#Cc1cc(NC(=O)N(CC2CC2)C2CCCCC2)ccn1 603133308 YBIBKABQYBSEIW-UHFFFAOYSA-N 298.390 3.530 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 604898232 LKLUCOJBRVCRSB-WBMJQRKESA-N 290.382 3.931 30 20 CHED C=CCOc1ccc(-c2noc(CCCC)n2)cc1 605258693 GYVDYOIETHMOFH-UHFFFAOYSA-N 258.321 3.644 30 20 CHED C[C@H]1CCCC[C@@H]1CNc1ncc(C#N)cc1Cl 608885332 LHAOMFQHPMXWNR-CMPLNLGQSA-N 263.772 3.845 30 20 CHED CN(C(=O)C1(C#N)CCCC1)[C@@H]1CCCc2ccccc21 610420728 CLRNXQBKRNZMLU-MRXNPFEDSA-N 282.387 3.606 30 20 CHED Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1Br 613661050 YXCWVOLKLLQMPV-DGCLKSJQSA-N 293.208 3.539 30 20 CHED N#Cc1ccc(CN2CCCc3sccc3C2)cc1F 616754178 AYPYQFQHLZELCX-UHFFFAOYSA-N 286.375 3.707 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(F)ccc1F 618742205 KXTMTYPHYUIGGT-KRWDZBQOSA-N 284.309 3.614 30 20 CHED N#Cc1csc(C(=O)N2CCCCc3sccc32)c1 619557443 BVPUOUJAKVIASF-UHFFFAOYSA-N 288.397 3.664 30 20 CHED Cc1cc(C)c(NC(=O)c2cc(C#N)oc2C)c(Cl)c1 619569639 HTQAATJZTLPOHF-UHFFFAOYSA-N 288.734 3.982 30 20 CHED C=CCN(CC(=O)Nc1c(C)cccc1C)C(C)(C)C 661756357 LKHRIXGGOLHWCF-UHFFFAOYSA-N 274.408 3.528 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2C)C1 664332313 DCGZLIXWLVCUJE-CQSZACIVSA-N 258.365 3.815 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2)C1 664334337 YAHPKRJKGXXVEO-LLVKDONJSA-N 280.318 3.785 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(-n2cccn2)c1 665608748 JRTZUKMUJQVMJL-UHFFFAOYSA-N 298.390 3.739 30 20 CHED C=CCC1(N[C@@H]2CCC[C@H](C(C)C)C2)CCOCC1 668551244 IHNODRPTFFKHDS-JKSUJKDBSA-N 265.441 3.916 30 20 CHED C=CCCCCCN1CCC2(CCOCC2)CC1 671252471 CMXNTJIRTFZPEW-UHFFFAOYSA-N 251.414 3.625 30 20 CHED CCN(CC#CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 677818956 ZAXKGCUNVVWOPK-ZDUSSCGKSA-N 299.336 3.738 30 20 CHED C=CCCOCC(=O)Nc1ccccc1Nc1ccccc1 679108751 CWVVDYASPWYSDC-UHFFFAOYSA-N 296.370 3.961 30 20 CHED C=CC[C@@H](C(=O)N1CCC(F)(F)CC1)c1ccccc1 684517868 HAPPBMMWIKUJJB-CQSZACIVSA-N 279.330 3.604 30 20 CHED CC(C)c1nc(CNc2ccccc2C#N)cs1 696392855 UTJQYNPIFGZYSD-UHFFFAOYSA-N 257.362 3.750 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@@H]2CCCC[C@H]2C)c1 726455633 QEGNODOFEKFKRL-CZUORRHYSA-N 286.444 3.875 30 20 CHED C#Cc1cccc(NC(=S)NC[C@@H]2CCC[C@H](C)C2)c1 726475214 OIPWLQDDCXKIDU-DZGCQCFKSA-N 286.444 3.781 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H](C)c2ccccc2OC)c1 728462245 SOEBFXGFTMSYNG-CQSZACIVSA-N 293.366 3.809 30 20 CHED C#Cc1cccc(N(CC)C(=O)CSCCC(C)C)c1 728480519 VZRMYVPRYNLZGJ-UHFFFAOYSA-N 289.444 3.800 30 20 CHED C#Cc1ccc(C(=O)OCCCC2CCCCC2)nc1 728799125 KQHCHNYTMBHCIP-UHFFFAOYSA-N 271.360 3.580 30 20 CHED Cc1cc(O)c(CN(C)[C@H](C)CC#N)cc1C(C)C 728902246 MDDVJOJWMBOANN-CYBMUJFWSA-N 260.381 3.558 30 20 CHED C#CCOc1ccccc1[C@@H](C)OC(=O)/C=C/c1ccco1 730424628 GFMOFUIGOJKESW-PLSXKVAHSA-N 296.322 3.609 30 20 CHED CC(=NNc1ccc(F)cn1)c1cc(C)c(C)cc1C 731318679 MXRJWQSCWFPYPH-UHFFFAOYSA-N 271.339 3.982 30 20 CHED Cc1cc(NN=Cc2ccc(-c3ccccc3F)o2)ncn1 731935534 DWWKNQKIGFOHID-UHFFFAOYSA-N 296.305 3.630 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C(\C)CCC 732021582 SELZETCOYVBCGW-WYMLVPIESA-N 273.376 3.614 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1 733083424 RCMKYOMKUKLNTC-DVOMOZLQSA-N 286.444 3.779 30 20 CHED C=CCN(C(=O)C[C@H]1CCc2ccccc21)C(C)C 734394356 WUMAQOPDZNLJOW-OAHLLOKOSA-N 257.377 3.530 30 20 CHED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1cccs1 737445261 ZFGIGZNCGVBSHJ-SNAWJCMRSA-N 288.759 3.945 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)n1)C(C)C 739422141 PWHURTIICSFRPG-UHFFFAOYSA-N 259.275 3.934 30 20 CHED CCCCCCCN1CC[C@H](CNC(=O)OC(C)(C)C)C1 740875962 JVLUOHASAUOVGV-OAHLLOKOSA-N 298.471 3.803 30 20 CHED C=C(C)CNC(=S)N1CC[C@H]1c1ccc(Cl)cc1 741877077 WNIQOXQHALALJO-ZDUSSCGKSA-N 280.824 3.537 30 20 CHED N#Cc1c(Cl)cccc1NC[C@@H]1COc2ccccc2C1 743582000 IUMDXHUTNYBQOR-GFCCVEGCSA-N 298.773 3.875 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 744358585 UNVRQJFGADAMCY-CQSZACIVSA-N 269.344 3.911 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(C)ccc1OC)C2 747440183 LKXJKEOVGCVMJH-XNTDXEJSSA-N 294.350 3.835 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C\c2ccccc2O)C1 749007893 NTAOGBVMDBFOOT-FWEMMINBSA-N 263.406 3.875 30 20 CHED CC(=NOCC(C)C)c1cnn(-c2ccc(F)cc2)c1C 749631730 PJAVTNIIFQNDLC-UHFFFAOYSA-N 289.354 3.716 30 20 CHED CCc1cccc2c1OCC[C@@H]2/N=C/c1ccccc1O 750949784 JFONABBIWYJIBA-QUYZQLMHSA-N 281.355 3.897 30 20 CHED Cc1cccc(NN=Cc2cnn(-c3ccccc3)c2)c1 751346952 UPRLSTPTKUXVLN-UHFFFAOYSA-N 276.343 3.627 30 20 CHED C/C=C(\C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 751352573 YGTCAHXAYMAZEG-KGVSQERTSA-N 293.326 3.650 30 20 CHED CCCCCOc1ccc(OC(=O)c2ccc(C#N)[nH]2)cc1 752475121 UMPYEJUVDBPHCN-UHFFFAOYSA-N 298.342 3.675 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc(Oc2ccccc2)c1 753421565 CZYVUOHLDBYNLS-CQSZACIVSA-N 281.311 3.938 30 20 CHED COCC(=NNc1ccccc1C(F)(F)F)C1CC1 754253878 IGZGREJREHZROK-UHFFFAOYSA-N 272.270 3.530 30 20 CHED COc1nc2ccccc2cc1C=NNc1ccccc1 755461433 CMDQEJMUOLQSCF-UHFFFAOYSA-N 277.327 3.689 30 20 CHED CCC(Cc1cccs1)=NO[C@H]1CCCCO1 755822578 VYKBEANZIQSKKU-ZDUSSCGKSA-N 253.367 3.600 30 20 CHED C#CC[C@H](NC(=O)/C=C\c1cccc(F)c1)c1ccccc1 757577240 GPLDNWHUULNUCZ-SQVRQVGWSA-N 293.341 3.720 30 20 CHED C=CCC(CC=C)c1nc(-c2cccc(N)c2)no1 758422524 CVGREGXRLPRRQT-UHFFFAOYSA-N 255.321 3.555 30 20 CHED CC(=NNc1ncccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 759203670 SRLKJYGCWHCLGZ-LLVKDONJSA-N 284.319 3.581 30 20 CHED C=CCCCC(=O)OCC(=O)c1cc(C)c(F)cc1Cl 761188090 YUQYBSPGZWOGJC-UHFFFAOYSA-N 298.741 3.870 30 20 CHED Cn1cnc2cc(/C=C\C(=O)c3ccc(F)cc3F)ccc21 761199968 IBNGDOCGWGGAJA-CLTKARDFSA-N 298.292 3.748 30 20 CHED O=C1/C(=C/c2cccc(O)c2)Cc2ccc(Cl)cc21 762446123 DFHWMHMUWKWNRZ-WUXMJOGZSA-N 270.715 3.868 30 20 CHED CCN(CC)c1ccnc(NN=C[C@@H](C)c2ccccc2)n1 762607387 BYQRLVDLOKGNAD-CQSZACIVSA-N 297.406 3.524 30 20 CHED C=CCCC(=NNc1cc(C#N)cc(Cl)n1)C1CC1 768376538 UHVPDISPLGDUFY-UHFFFAOYSA-N 274.755 3.751 30 20 CHED CCCC(=CC(=O)N(CCC#N)CC(C)C)CCC 770716364 PPCWITLFOQVGBD-UHFFFAOYSA-N 264.413 3.911 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@H]1c1ccccc1 771097005 GPIJURTUEVWURQ-NSHDSACASA-N 275.764 3.620 30 20 CHED C#C[C@@H](C)NC(=O)CCCCc1ccc(Cl)c(Cl)c1 772983970 IRBLANABGKPHAP-LLVKDONJSA-N 298.213 3.844 30 20 CHED CC(C)c1nccnc1NN=C[C@H]1CCOc2ccccc21 773078014 LPUQOMPYTNGMHQ-CYBMUJFWSA-N 296.374 3.564 30 20 CHED CC1(C)CCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 773945375 WPRAXNDKWGQWEO-RYUDHWBXSA-N 281.359 3.565 30 20 CHED CCOc1cc(C=NOC2CCCC2)cc(Cl)c1O 774597244 RVMNHCRREGHDJG-UHFFFAOYSA-N 283.755 3.737 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(-c2cccc(F)c2F)o1 775184698 XVAZTMJZHGILNU-NSHDSACASA-N 275.298 3.678 30 20 CHED C#CC[C@@H](NCc1ccccc1N(C)C)c1ccccc1 775399438 RIPTVSUKAXEAPQ-GOSISDBHSA-N 278.399 3.607 30 20 CHED Fc1ccc(C=NNc2cccc3ccccc23)cn1 777434418 VWJIMZFLUWQROK-UHFFFAOYSA-N 265.291 3.820 30 20 CHED C#CCCCCCC(=O)NCC(CC)(CC)SC 779925700 NIZLQZHRDDSDRQ-UHFFFAOYSA-N 269.454 3.608 30 20 CHED Cc1ccc(-c2ccc(C(=O)OC[C@@H](C)C#N)s2)o1 781832377 CSMTUXYGULRSAA-VIFPVBQESA-N 275.329 3.633 30 20 CHED CCOc1c(Cl)cccc1C=NNc1cc(C)ccn1 782243451 VMKNIPLLBFLXMM-UHFFFAOYSA-N 289.766 3.888 30 20 CHED C#CCOc1ccc(NC(=O)CCCc2ccsc2)cc1 783051441 VEHVCKZAXFQEIS-UHFFFAOYSA-N 299.395 3.722 30 20 CHED N#Cc1ccccc1NC(=O)CCCc1ccsc1 783374509 TXLCBVZLBPSRBP-UHFFFAOYSA-N 270.357 3.581 30 20 CHED Cc1ncsc1/C=C1\COc2ccc(Cl)cc2C1=O 783714494 KQQYDSTWIOREQS-RUDMXATFSA-N 291.759 3.764 30 20 CHED C[C@H]1CCC(=NNc2cc(Cl)ccn2)[C@@H](C)C1 783862568 NDDPKGYFWJKKIZ-UWVGGRQHSA-N 251.761 3.959 30 20 CHED CCCC(=NNc1ccnc(F)c1)c1ccsc1 785460695 DBLKCVPKNAVMDF-UHFFFAOYSA-N 263.341 3.899 30 20 CHED COc1cc(F)cc(NN=CC2(OC)CCCCC2)c1 790166726 UDWOHMQHMWHREU-UHFFFAOYSA-N 280.343 3.581 30 20 CHED C#C[C@H](CCC)NC(=O)N(CCC)Cc1ccc(C)cc1 791068646 YIKBBCVFPOXDTP-QGZVFWFLSA-N 286.419 3.719 30 20 CHED O=C(/C=C/c1ccc2ccccc2c1)c1ccnc(O)c1 791431696 JMPWHEMMBGHGFL-SOFGYWHQSA-N 275.307 3.837 30 20 CHED C#C[C@@H](CCC)NC(=O)c1coc2cc(C)c(C)cc12 791739511 FJNUESLJTIUDOA-ZDUSSCGKSA-N 269.344 3.581 30 20 CHED O=[N+]([O-])c1ccc(CC=NNc2ccccc2Cl)cc1 792871785 JZOBYGBVCDEXEU-UHFFFAOYSA-N 289.722 3.889 30 20 CHED C=C(Cl)CNC(=O)CC(C)(C)C1CCCCC1 793532341 BVZDAGRRIUGCMJ-UHFFFAOYSA-N 257.805 3.852 30 20 CHED O=C(/C=C\c1ccc(F)cc1Cl)c1ccnc(F)c1 794722853 XKXNRFXMLBGBHA-RQOWECAXSA-N 279.673 3.909 30 20 CHED CC1(C)C(=NNc2cccc(F)n2)C[C@@H]1Oc1ccccc1 795007070 YGOVMBNAOCZRBP-AWEZNQCLSA-N 299.349 3.866 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ccnc2c(F)cccc12 797836489 RBQHEEWPRQTRIQ-YVEFUNNKSA-N 286.350 3.767 30 20 CHED COc1cccc(/C=N/CCCCc2ccccc2)c1O 798068551 PLDANVNUWBPRTG-XMHGGMMESA-N 283.371 3.843 30 20 CHED FC(F)C1CCC(=NN=c2cc[nH]c3ccccc23)CC1 799480357 URHVERROTOJKBB-UHFFFAOYSA-N 289.329 3.880 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OC1CCCCCC1 799573116 DJDTWWKLEFNRHW-QXMHVHEDSA-N 269.344 3.837 30 20 CHED Cc1[nH]c(C=NNc2cccc3ccccc23)cc1C(=O)O 800811335 QJBFVUYSPHYMFA-UHFFFAOYSA-N 293.326 3.621 30 20 CHED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1cccc(C#N)c1 804527044 UQLULWVZLLNASU-MRVPVSSYSA-N 288.763 3.713 30 20 CHED N#CCc1ccccc1C(=O)OCCc1ccccc1Cl 805381128 LPHRMUWDDSWVST-UHFFFAOYSA-N 299.757 3.806 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(C)(C)C 807882578 UEIFRQMNSSHFDS-CKYFFXLPSA-N 295.835 3.669 30 20 CHED CC(=O)c1ccc(OC(=O)c2cc(C#N)ccc2Cl)cc1 807917138 NSKPXWKROUBRGN-UHFFFAOYSA-N 299.713 3.633 30 20 CHED C[C@@H]1CC(=NNc2cccc(F)n2)c2ccccc21 807987066 FGBSOKIUAKYZGV-SNVBAGLBSA-N 255.296 3.544 30 20 CHED COCC(C)(C)CCCNc1nc2ccccc2cc1C#N 808075827 CEJIQRSHDGXQPZ-UHFFFAOYSA-N 297.402 3.971 30 20 CHED COc1nc(C)cc(C)c1CON=Cc1ccc(C)cc1 808245305 KOAGDEMPYLBJRL-UHFFFAOYSA-N 284.359 3.566 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1ccc(C)cc1)C2=O 809156662 NBEPVIDJMYDLAE-UKTHLTGXSA-N 282.314 3.965 30 20 CHED COc1ccc(CCC(C)=NOCc2cccnc2C)cc1 809995185 NDYMMGBNVVLBIP-UHFFFAOYSA-N 298.386 3.924 30 20 CHED Cc1cc(COc2ccc(N(C)C)cc2)ccc1C#N 810001395 FCGAZJJMQHQBFG-UHFFFAOYSA-N 266.344 3.512 30 20 CHED CCOc1ccc(N=Cc2c(O)cccc2OC)cc1 812387765 RFWXCZPNYSBPCV-UHFFFAOYSA-N 271.316 3.550 30 20 CHED N#CCCCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 812824509 SHMGNFRWAKFHOJ-UHFFFAOYSA-N 293.322 3.517 30 20 CHED CCOC1CC(=NNc2ccc(C(F)(F)F)cc2)C1 814882484 QCSTXSQCNQXBIH-UHFFFAOYSA-N 272.270 3.672 30 20 CHED FC(F)(F)c1ccc(NN=CCC2CCCCC2)nn1 814887057 DZKIFDHSOQKQBL-UHFFFAOYSA-N 286.301 3.864 30 20 CHED CC[C@H](C)CON=C(C)Cc1ccc(OC)c(OC)c1C 814939447 QXCZZNUCDICJMT-LBPRGKRZSA-N 293.407 3.993 30 20 CHED c1ccc(-c2nnc(NN=C3CCC34CCC4)s2)cc1 814946687 OUXINXNRIJPVTM-UHFFFAOYSA-N 284.388 3.937 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccccc1OCC(C)C 815086175 HPMLASGLOOITCE-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C[C@H](OC(=O)CC(C)(C)C1CC1)c1cccc(C#N)c1 815470239 ONRAKLKIAJKLJV-LBPRGKRZSA-N 271.360 3.989 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)c1ccnc(O)c1 815642553 GDBGHPQXIZQWBW-ZIAGYGMSSA-N 262.397 3.963 30 20 CHED C#C[C@@H](NC(=O)CC(C)(C)C1CC1)c1ccc(Cl)cc1 816779022 RVUUKVWOQQDODH-OAHLLOKOSA-N 289.806 3.957 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](CC)CC(F)(F)F)c1 823083489 BPGSIFNNWVEUSP-ZDUSSCGKSA-N 297.320 3.999 30 20 CHED C=CC[C@H](C)NC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 823871841 PELCQEGHENBOBD-RRFJBIMHSA-N 296.455 3.576 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1cc(C#N)ccc1F 828225406 YXJXYUBIOPOHPO-NSHDSACASA-N 276.355 3.642 30 20 CHED C=CCC1(C(=O)Nc2cnn(C)c2C2CC2)CCCCC1 829566875 OCQGNAGQOUGCFU-UHFFFAOYSA-N 287.407 3.763 30 20 CHED CCc1nocc1/C=C\C(=O)c1cc(C)c(F)c(C)c1 834425337 PUWJHKDFBGLMNS-WAYWQWQTSA-N 273.307 3.889 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(Br)nc1 834883060 HFUDQNUZKMFBKO-SNVBAGLBSA-N 283.213 3.707 30 20 CHED Cc1cc(NN=C2CCCC23CCCCC3)ncn1 834958519 RQMOIWOYYRAQOH-UHFFFAOYSA-N 258.369 3.687 30 20 CHED CC(C)CC[C@H]1CCC(=NNCC(F)(F)F)C1 834970429 WHBIAQSLTMFCAG-JTQLQIEISA-N 250.308 3.731 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)C1CCC(F)(F)CC1 834997242 AKTLCDYLAYNFGI-MRVPVSSYSA-N 272.261 3.728 30 20 CHED CC1(C)OCC[C@H]1NN=C1CC[C@](C)(c2ccccc2)C1 835015832 GLDUUQZOKAHSQI-AEFFLSMTSA-N 286.419 3.641 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)OC[C@H](C#N)Cc1cccs1 835260644 JGUWWLMSCKFIGC-WWGRRREGSA-N 291.416 3.800 30 20 CHED CS[C@@H](C)CCOC(=O)c1ccc(C#N)c(Cl)c1 835664679 BQGFWUOZCCFKTG-VIFPVBQESA-N 283.780 3.510 30 20 CHED N#C[C@]1(C(=O)N2CCCCCCCC2)CC12CCCC2 836920908 RRLWVRHPKLLQDJ-KRWDZBQOSA-N 274.408 3.643 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1ccc(Cl)cc1 837312301 MLWWYGYFHROPIW-NSHDSACASA-N 263.768 3.567 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1cccc(C(F)(F)F)c1 837313531 MGMSFIRYTRTBAZ-LLVKDONJSA-N 297.320 3.932 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C#CC(C)(C)C 837335804 ZQFDDLWTHZBFPP-LBPRGKRZSA-N 277.795 3.909 30 20 CHED Cc1ccc(C(=O)OC[C@]2(C)CC2(Cl)Cl)cc1C#N 837704294 QRSRDHNYQALNBJ-ZDUSSCGKSA-N 298.169 3.607 30 20 CHED C[C@H](C(=O)OCCCCC(C)(C)C#N)C1CCC1 838389115 QRXXOOUFWQLSDD-LBPRGKRZSA-N 251.370 3.686 30 20 CHED C=CCC1(C(=O)Nc2cccc(Cl)n2)CCCC1 839292390 QTUAKVNTEZGGCF-UHFFFAOYSA-N 264.756 3.810 30 20 CHED CS/C=C\C(=O)Nc1scc(C(C)(C)C)c1C#N 839370158 TVSCRWMDDWMPHF-WAYWQWQTSA-N 280.418 3.732 30 20 CHED COc1cc2c(cc1C=NOCc1ccccc1)O[C@@H](C)C2 839421827 OFGFRQCSDKABTR-ZDUSSCGKSA-N 297.354 3.569 30 20 CHED Fc1ccc(-c2n[nH]cc2C=NOCc2ccccc2)cc1 839423828 WTNVHAMDPVAIKL-UHFFFAOYSA-N 295.317 3.767 30 20 CHED C=CCSc1ccccc1C(=O)Nc1nccn1C1CC1 839940943 VQTNRRRRGUHVOB-UHFFFAOYSA-N 299.399 3.748 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H](CO)[C@@H]1C 840246411 ZVVVQAATIJRYPZ-JKSUJKDBSA-N 298.471 3.539 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)N(CCC#N)CC(C)C 840293564 YGBPEHSQFYAJHS-INIZCTEOSA-N 294.439 3.513 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C3CC3)cc2)cnn1C 840722252 ZNGAUWUDHTXCJE-YHYXMXQVSA-N 266.344 3.502 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(Cl)cc1O 841753098 SBBLDNCPIHPBES-OZVIIMIRSA-N 295.810 3.677 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)O[C@@H](C#N)C(C)C 842298120 CQKNLSJLFDZBGY-UONOGXRCSA-N 277.389 3.649 30 20 CHED C[C@H](CO)N(C)N=C1CCC[C@@H](c2ccc(Cl)cc2)C1 842539066 RJHHOELVUJBTRT-TZMCWYRMSA-N 294.826 3.666 30 20 CHED C[C@@H](C(=O)OC1(CC#N)CCC1)c1ccc(Cl)cc1 845556586 PTHSHFARGCTGDC-LLVKDONJSA-N 277.751 3.823 30 20 CHED Cc1cc(C#N)ccc1N1CCO[C@@H](c2ccccc2F)C1 846747150 ABIDIIUVTQAYFB-GOSISDBHSA-N 296.345 3.584 30 20 CHED CCN(C)c1ccc(CSc2cccnc2C#N)cc1 848439357 SUEMIAOYMDTJKM-UHFFFAOYSA-N 283.400 3.702 30 20 CHED N#CCC1(CNc2ccc(OC3CCC3)c(F)c2)CC1 849314909 JRMFUZGXLLKMKR-UHFFFAOYSA-N 274.339 3.863 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1(c2ccccc2)CC1 851214292 YKRQULRMLKBOKV-CYBMUJFWSA-N 271.360 3.590 30 20 CHED N#CC[C@H]1CCCN(c2ccnc3c(F)cccc23)C1 853760878 LMGZBGWHVBXZCY-GFCCVEGCSA-N 269.323 3.504 30 20 CHED C=C(Cl)CSCCC(=O)Nc1cccc(F)c1 853782786 ABUXMQKIZUENQT-UHFFFAOYSA-N 273.760 3.640 30 20 CHED CC(C)(C)C#CC(=O)NCc1ccc(Cl)c(Cl)c1 855780146 CYJCGXSXRJTAOZ-UHFFFAOYSA-N 284.186 3.659 30 20 CHED C=CCCC(C)(C)NC(=O)/C(=C\c1ccccc1)OC 856372342 KPAKRKJFLMZKDT-FYWRMAATSA-N 273.376 3.535 30 20 CHED C/C(=C/C(=O)N(CCC#N)CC(C)(C)C)c1cccs1 857162840 RJLHPASGEMJOJK-QBFSEMIESA-N 290.432 3.940 30 20 CHED CCCc1ccc(/C=C2/CCc3c(cnn3C)C2=O)s1 857201592 CZCDYRWEQADBOU-LUAWRHEFSA-N 286.400 3.647 30 20 CHED Cc1ccc(C2CC(=NNc3ncc(Cl)cn3)C2)cc1 857223283 LVSCVYUNBUVIGO-UHFFFAOYSA-N 286.766 3.784 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1SCC#N 860028787 UYRWRISIKNDEFO-TZMCWYRMSA-N 288.416 3.611 30 20 CHED Cc1nc(-c2ccc(C(=O)O[C@H](C)CC#N)s2)cs1 870204800 JKHLGWOKUGDLNF-MRVPVSSYSA-N 292.385 3.639 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)[C@@H](C#N)c1ccccn1 873497665 NQSSNGLHVLPXMD-SJORKVTESA-N 292.382 3.835 30 20 CHED CCC[C@H](C)N(C)CC[C@](C#N)(C(C)=O)c1ccccc1 877953412 MHSPPDAVVUUFLG-YJBOKZPZSA-N 286.419 3.547 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1ccc(Cl)cn1 879655685 ZHWHIJSQCHYFMI-JTQLQIEISA-N 266.772 3.515 30 20 CHED C=C1CCC(C(=O)NC2(Cc3ccccc3)CC2)CC1 890020278 BGWQONWKWJKSAL-UHFFFAOYSA-N 269.388 3.624 30 20 CHED COC(=O)CCc1cccc(N[C@@H](C)CC(C)(C)C#N)c1 893926400 SBDJCEPWBHTMKD-ZDUSSCGKSA-N 288.391 3.532 30 20 CHED Cc1cccc(CNCC2(C#N)CCC2)c1Br 894965691 JARFQKBLNFJNLL-UHFFFAOYSA-N 293.208 3.541 30 20 CHED C=C1CCC(c2nc(Cn3cnc4ccccc43)no2)CC1 896220919 LHWRDJGSRGDSJW-UHFFFAOYSA-N 294.358 3.681 30 20 CHED C#CCC1(c2nc(C3(SC)CC3)no2)CCCCC1 896780622 HGJKZPCAXSZNGN-UHFFFAOYSA-N 276.405 3.647 30 20 CHED COC(=O)c1cc(C)cc(NCC(C)(C)CCC#N)c1 897089709 JMRATRSTDMKPBR-UHFFFAOYSA-N 274.364 3.524 30 20 CHED COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)c(C)c1 899350199 AKMVLOMFEBIXTK-SOFGYWHQSA-N 284.359 3.677 30 20 CHED CC(=NNc1cc(F)ccc1F)C1CCSCC1 901320876 SJHZMRQHNVMGMK-UHFFFAOYSA-N 270.348 3.896 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cncn1C(C)C 901430164 IWPMEQYKCRKIDK-CMDGGOBGSA-N 254.333 3.669 30 20 CHED CSc1ccc2c(c1)CC/C(=C/c1nc(C)c(C)[nH]1)C2=O 901465976 GLXJRQQMSOCEOR-LCYFTJDESA-N 298.411 3.961 30 20 CHED C=CCCC1(CNCc2cc(C(=O)O)oc2C)CCCC1 902422061 LINBTYJTZFIHLB-UHFFFAOYSA-N 291.391 3.902 30 20 CHED CC[C@@H](N[C@H](C)CCSC)c1cccc(C#N)c1 902808946 ONDFGHWNEPDPEH-IUODEOHRSA-N 262.422 3.741 30 20 CHED C=C[C@@H](CC)CC(=O)N(CCCC)c1ccccn1 906090559 ZWAQFNVCQQUVSD-AWEZNQCLSA-N 260.381 3.817 30 20 CHED CCc1ccc(N(CC)C(=O)c2cccc(C#N)c2)cc1 914516908 SGOUWUYRNPJWBR-UHFFFAOYSA-N 278.355 3.787 30 20 CHED CC(C)=CCC/C(C)=C/C=NN1C(=O)c2ccccc2C1=O 916263948 LFBHMINALYKMSD-XHOSPMEYSA-N 296.370 3.961 30 20 CHED Cc1ccc(C=NNCc2ccccc2Cl)s1 918152931 OKVZJCDMKGPBJS-UHFFFAOYSA-N 264.781 3.834 30 20 CHED CCCCCCCCC(=O)O[C@@H]1CCCCC1=O 919222159 LEIRFZYGNHDHEU-CQSZACIVSA-N 254.370 3.792 30 20 CHED CCOc1ccc(C#N)cc1NC[C@@H]1CC1(Cl)Cl 920403039 SVQCNICBCPWODW-JTQLQIEISA-N 285.174 3.563 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(F)cc2F)c1 920943094 ZVQXEALCQTZBAM-UHFFFAOYSA-N 277.270 3.820 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H]1CN1CCCC1 921208239 ZLTCQJXRDIOATJ-KRWDZBQOSA-N 294.483 3.824 30 20 CHED Cc1cc(C)cc(C=NNC(=S)Nc2ccccc2)c1 921252510 FURYIVPBRFCCPS-UHFFFAOYSA-N 283.400 3.624 30 20 CHED CN(C)c1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1 921266152 JSPQHDPMFHVVFR-RAXLEYEMSA-N 297.329 3.550 30 20 CHED Cc1ccc(C#N)cc1-c1nc([C@H]2CC2(Cl)Cl)no1 924119269 YMSRLCPOQHIVCX-SNVBAGLBSA-N 294.141 3.578 30 20 CHED Cc1ccccc1C[C@@H](C)N[C@@H](C)CC(C)(C)C#N 924823031 JJCFQLNBQUXGDE-CABCVRRESA-N 258.409 3.844 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc(OCC(F)F)c1 925363250 JVLNGHOABNJYFR-LBPRGKRZSA-N 296.361 3.748 30 20 CHED Clc1ccc(C#CCN[C@H](c2ccccn2)C2CC2)cc1 932379812 RTXXAYAKJADXKV-SFHVURJKSA-N 296.801 3.827 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)c2cc(C#N)ccc2C)s1 933251099 OZHRQMJYXLSYEF-GFCCVEGCSA-N 298.411 3.598 30 20 CHED C=CCN(C(=O)c1ccnc2cc(Cl)ccc12)C1CC1 935224727 VPKQLBNXTRUEJS-UHFFFAOYSA-N 286.762 3.679 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](CC(F)(F)F)C(C)C 935557077 QFYHEEONGWTOJP-GHMZBOCLSA-N 265.319 3.682 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)C1(C#N)CCC1 1116095552 PNBAASQDMNSEOD-ILXRZTDVSA-N 276.424 3.505 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H](C)CC1CCCCC1 1116433803 KHBXSHYTURDYIW-UKRRQHHQSA-N 264.413 3.647 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCC#N)cc1 1116894760 QBXFWJUTLMEPEY-CZUORRHYSA-N 286.375 3.744 30 20 CHED CN(C)c1ncccc1/C=C\C(=O)c1ccc(Cl)s1 1117350874 NBFXSRASRHBNHG-WAYWQWQTSA-N 292.791 3.759 30 20 CHED CC[C@H](NCc1cccc(OCC#N)c1)[C@H]1CC1(C)C 1119293084 OCZUOVYZANHZTL-CVEARBPZSA-N 272.392 3.503 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)C2CC(c3ccc(F)cc3)C2)C1 1122650053 OHDSBXXGBUXNHA-QCTRAFQOSA-N 287.334 3.555 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1 1131782465 QRECJFDEPQBEIN-JMSVASOKSA-N 251.370 3.684 30 20 CHED Cc1ccccc1CCN(C)c1nc(C#N)c(Cl)s1 1163383141 BTVWFPKUNVLCOV-UHFFFAOYSA-N 291.807 3.656 30 20 CHED N#Cc1ccc(CCN2CC[C@@H](C3CCCC3)C2)cc1 1195307188 OZNZISRVUXJZGH-GOSISDBHSA-N 268.404 3.613 30 20 CHED CSc1cc(C(=O)Nc2ccc(F)cc2C#N)c(C)o1 1265738730 ZUGXJOGELNKVGU-UHFFFAOYSA-N 290.319 3.573 30 20 CHED CC[C@H]1CCC[C@H]1NCc1ccc(Cl)cc1C#N 1307684721 ULSXCTUMDVEELB-XHDPSFHLSA-N 262.784 3.880 30 20 CHED CCN(Cc1cc(C#N)ccn1)c1ccc(Cl)cc1F 1307722769 ZIDVDEYLRYBNEK-UHFFFAOYSA-N 289.741 3.772 30 20 CHED N#CCCCCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1 1318573154 IINMLXJEAWCFOY-UHFFFAOYSA-N 297.310 3.610 30 20 CHED COc1cc(/C=C\C(=O)c2ccnc(Cl)c2)ccc1F 1320104386 VOYYEUHAOGRPLM-HYXAFXHYSA-N 291.709 3.779 30 20 CHED N#CCc1cccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 1320364257 LOJMMUARRXFPMX-GZBFAFLISA-N 255.365 3.528 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cc(C)n(C)n1 1321190552 TWNMSMJQXFHFLF-UHFFFAOYSA-N 276.771 3.526 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1csc(C(=O)O)c1 1322090731 VSDPJVXYSKJHSX-ALCCZGGFSA-N 298.363 3.831 30 20 CHED Cc1ccc(Cl)c(OC(=O)CC#Cc2ccccc2)c1 1322546207 CZSPHHLOGYSGPG-UHFFFAOYSA-N 284.742 3.996 30 20 CHED CN(C)c1ncccc1/C=C\C(=O)c1cccc(Cl)c1 1322820793 YCSNRAGKAGVAPC-HJWRWDBZSA-N 286.762 3.697 30 20 CHED Cc1ccc(C#N)c(NCc2cccc(Cl)c2F)n1 1323207525 UMKQPPWOZNYSCT-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2ccc(OCC#N)cc2)C1 1323582225 KNERYILGBMKVML-WDNDVIMCSA-N 286.375 3.600 30 20 CHED CCCC(=NNCc1ccc(F)cc1)c1cccnc1 1324474135 QZVMZBDVHFRULJ-UHFFFAOYSA-N 271.339 3.515 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1csc(C#N)c1 1330516478 DWRYRUVDWLOEDK-LLVKDONJSA-N 264.394 3.708 30 20 CHED S=c1[nH]c2ccccc2nc1NN=C1CC[C@H]1C1CC1 1331723394 SNBRUHUEADWURD-JTQLQIEISA-N 284.388 3.880 30 20 CHED N#Cc1ccccc1N(C(=O)[C@@H]1C[C@H]1C1CCC1)C1CCC1 1332589363 SJPRTAZNQMYIEH-DLBZAZTESA-N 294.398 3.880 30 20 CHED C=C1CC(c2noc(-c3cnn(C4CCCCC4)c3)n2)C1 1334421820 JCPFURZQHMXQFU-UHFFFAOYSA-N 284.363 3.872 30 20 CHED C=C(C)CCC(=O)Nc1cnn(CC(C)C)c1C1CC1 1337280164 XNIUYSBUSOJVEG-UHFFFAOYSA-N 275.396 3.711 30 20 CHED C=CC[C@H]1CCCN(C(=O)C23CCC(CC2)CC3)C1 1337292277 GPVBXSOFYQAMOE-CKDBGZEDSA-N 261.409 3.772 30 20 CHED C[C@@H](C#N)COC(=O)c1nc(-c2ccccc2)oc1C1CC1 1342643259 RSLRPUSSRJIUDY-NSHDSACASA-N 296.326 3.535 30 20 CHED N#C[C@@H](NC(=O)/C=C\c1ccc(Cl)s1)C1CCCC1 1350852189 UMVBKOIPXKJZHT-XYLWRLHESA-N 294.807 3.613 30 20 CHED N#Cc1ccc(F)c(C(=O)N2CCC[C@@H]2c2ccccc2)c1 1354463758 IYQKLEMPBCRKKO-QGZVFWFLSA-N 294.329 3.675 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(CC(C)C)s1 1355088584 MDTRWWGWIJXVAH-GFCCVEGCSA-N 278.421 3.711 30 20 CHED Cc1cc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)ccc1F 1455969873 HCZZEKFZQYUWOF-CYBMUJFWSA-N 296.345 3.823 30 20 CHED CCOC(=O)[C@H](CC(C)C)Sc1cccc(F)c1C#N 1459107914 JRFGSDLGONHLOJ-AWEZNQCLSA-N 295.379 3.767 30 20 CHED Cc1ccccc1CSCc1cc(C#N)ccn1 1472917275 DFUWRQAQMPLKOM-UHFFFAOYSA-N 254.358 3.695 30 20 CHED CC[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CCC(C)C 1495049383 MHPGWICDSLNLCW-ZIAGYGMSSA-N 291.443 3.576 30 20 CHED C=C(CC)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 1520754767 VUEZXYNJENSMOL-LBPRGKRZSA-N 281.808 3.959 30 20 CHED CC[C@@H](C(=O)Nc1sccc1C#N)c1ccc(F)cc1 1521436600 UGLYNQZDANZMPT-CYBMUJFWSA-N 288.347 3.891 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1 1526746472 XFRRPBXLURGIDY-INIZCTEOSA-N 283.375 3.715 30 20 CHED Cc1ccc(COC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 1536930508 MKAXWVRANGBAMM-OAHLLOKOSA-N 293.366 3.789 30 20 CHED C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)cc2F)C1 1537497339 FKXDCJMCWVRLFF-GFCCVEGCSA-N 294.329 3.536 30 20 CHED CNc1ccc(Cl)c(C(=O)Nc2cccc(CC#N)c2)c1 1556644270 IAOUJJQCDJKCRV-UHFFFAOYSA-N 299.761 3.700 30 20 CHED N#Cc1ccsc1NC(=O)NCc1cccc(Cl)c1 1563023967 SHDKHGHNTOUIPM-UHFFFAOYSA-N 291.763 3.595 30 20 CHED Cc1cc(C)c2cc(NC(=O)c3ccc(C#N)o3)ccc2n1 1584371047 HEAHDYGWVCGZQE-UHFFFAOYSA-N 291.310 3.569 30 20 CHED Cc1cc(C)cc(CCC(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 1596978891 QQYVFPOHUQBQKR-SJORKVTESA-N 285.387 3.862 30 20 CHED C=CC[C@@H](C(=O)O)N1CCC(c2cc(C)ccc2C)CC1 1602835579 SOYQWYCHEWOZSW-KRWDZBQOSA-N 287.403 3.512 30 20 CHED C=CCC1(NCc2cc(C(=O)O)ccc2F)CCCCC1 1602851284 GNMVXFJCRUOHKX-UHFFFAOYSA-N 291.366 3.893 30 20 CHED C=C(Br)CN(CC)[C@@H]1CCCC[C@H]1C 1617217015 PODMERSDNNCKMS-ZYHUDNBSSA-N 260.219 3.796 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1624592871 WSDAYQADWTVBBN-LLVKDONJSA-N 292.329 3.991 30 20 CHED CC[C@@H](C)[C@H](CNc1nc(C(C)(C)C)ccc1C#N)OC 1655496671 OVRBOIMDVTYRHG-OCCSQVGLSA-N 289.423 3.724 30 20 CHED N#Cc1ccc(CNC(=O)OC2CCCCC2)cc1Cl 1661618885 DCWUYTXELJHHNF-UHFFFAOYSA-N 292.766 3.771 30 20 CHED CCCC(=NNc1ccccc1C(=O)O)[C@H]1CC1(C)C 1776030652 BGDUSDHGYVWPAU-GFCCVEGCSA-N 274.364 3.999 30 20 CHED CCC1CCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 1776073458 VTBMFWBMNOAJMG-UHFFFAOYSA-N 278.327 3.892 30 20 CHED C[C@@H]1C[C@@H](C(=O)O)CCC1=NO[C@H](C)c1ccccc1 1776083254 UNPLZUKJMJVSIX-BZPMIXESSA-N 275.348 3.641 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC2CCCCCC2)C1 1776153055 GNUITUFLQRQNSV-QGZVFWFLSA-N 279.424 3.700 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)C1 1776153583 LGKYBNSRFWMYDE-MUQADHOPSA-N 293.451 3.802 30 20 CHED C=CC[C@H]1CCCN([C@H](C(=O)O)c2ccc(F)cc2C)C1 1776165280 RPGZVURFOKVGND-BBRMVZONSA-N 291.366 3.548 30 20 CHED COc1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1C 11549188 CYLYSHAXQSYDSP-UKTHLTGXSA-N 280.323 3.532 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1 35394212 GGJXWVMYGJQGIB-WCIBSUBMSA-N 283.302 3.680 30 20 CHED CC[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 40360160 IVFYLADLOPFFMX-IAGOWNOFSA-N 284.403 3.769 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)cc1 44764951 BWRLAISFJUQXCK-UHFFFAOYSA-N 250.729 3.608 30 20 CHED N#C[C@H](C(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccn1 46439275 ZEPVASKLTNFZGC-DZPQGLOJSA-N 294.398 3.864 30 20 CHED N#Cc1ccc(CN2CCCc3ccccc3C2)c(F)c1 62944637 NONBNZWMFYVFSX-UHFFFAOYSA-N 280.346 3.646 30 20 CHED Cc1ccc(C#N)cc1NCc1nc(-c2ccsc2)no1 63889713 QMUFRZLDPLWKNW-UHFFFAOYSA-N 296.355 3.590 30 20 CHED CCN(C(=O)CC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 71868120 MHOQJQURYWJVMI-CYBMUJFWSA-N 272.392 3.904 30 20 CHED C=CCOc1ccc(CN(C)Cc2csc(C)n2)cc1 72556435 CDPHOVWLHWZZFP-UHFFFAOYSA-N 288.416 3.648 30 20 CHED C#CCOC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 74000163 IPKHAPFLJYUCQD-UHFFFAOYSA-N 285.368 3.724 30 20 CHED C[C@@]1(c2ccccc2)CCCN(CCCSCC#N)C1 74990929 AJNOQWFWTDDXDD-QGZVFWFLSA-N 288.460 3.687 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 79720629 IIBYVIJKXSYFDR-QGZVFWFLSA-N 295.342 3.707 30 20 CHED CCC[C@@H](C#N)NC(=O)C1CCC(c2ccccc2)CC1 79867428 BFDLBRKQRDWYOO-JCYILVPMSA-N 284.403 3.769 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H](c1ccccc1)C1CCCC1 80073598 GJTPYJDPTAEONK-RHSMWYFYSA-N 299.418 3.719 30 20 CHED N#Cc1ccc(CNC(=O)C2CCCCCCC2)cc1 86579714 QCEPCOVSGITGJE-UHFFFAOYSA-N 270.376 3.535 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 90920886 QPGWYRKMYSYCGO-HZPDHXFCSA-N 297.801 3.847 30 20 CHED N#Cc1ccncc1NCc1ccc(F)cc1C(F)(F)F 94136112 QINIOVBKVVQXKL-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1ccccc1C 98065963 WCJPLBIWHMZSFB-UHFFFAOYSA-N 277.433 3.653 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1c(C)noc1C 113834558 QXCXFXFZDTVHJY-NSHDSACASA-N 266.385 3.829 30 20 CHED C#CCCOc1ccc(CNc2cccc(COC)c2)cc1 114763759 LCFWYXHWYYIOJC-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 116851466 IYZCDXNHOXWVMF-OFQRWUPVSA-N 259.393 3.897 30 20 CHED N#CC1(C(=O)Nc2ncc(-c3ccccc3)s2)CCCC1 119548795 KHLBYFGYYKIXGE-UHFFFAOYSA-N 297.383 3.833 30 20 CHED C=C(C)COc1cc(CNc2cncc(C)c2)ccc1OC 119570541 HVDUDMKXNKXHHT-UHFFFAOYSA-N 298.386 3.966 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@@H]1C=CCC1 121354905 VDQGIBMQXXATER-QGZVFWFLSA-N 269.388 3.600 30 20 CHED C[C@@H](C#N)N[C@H](Cc1ccccc1)c1ccccc1F 122727917 ZJXCWHIDCQFYET-SUMWQHHRSA-N 268.335 3.611 30 20 CHED Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)c(C)o1 123851110 RVJZUCCOCAJEAW-JTQLQIEISA-N 285.303 3.849 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]1C[C@H](C)O 124775845 IASHSQOUZQXHTQ-HOTGVXAUSA-N 283.456 3.889 30 20 CHED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCC2CCCC2)c1 127471687 NNSRUPZBSRATII-INIZCTEOSA-N 298.386 3.613 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](C)[C@@H](C)C1)c1ccccc1 132188565 MLHBCMUYCSJLHJ-HRCADAONSA-N 271.404 3.851 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 134389094 JMCIBFAKWOPDSU-XJKSGUPXSA-N 285.391 3.991 30 20 CHED C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 135116989 PYTSXPFKYASUAD-INWMFGNUSA-N 293.432 3.639 30 20 CHED N#CCC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 153984365 ZZMLSDWOTHYRNM-UHFFFAOYSA-N 288.253 3.609 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)C1(C)CC1 154255279 NONHPODRFHUZOH-LLVKDONJSA-N 274.389 3.677 30 20 CHED CC1(C)C[C@H](Nc2ccc(C#N)cn2)c2ccccc21 154868140 IVUMOTAQHGNQRE-HNNXBMFYSA-N 263.344 3.788 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccccc1CC(F)(F)F 156124242 BIVWEFBVWPDREH-LLVKDONJSA-N 299.296 3.605 30 20 CHED C=CCC(CC=C)C(=O)N1CCOc2c(Cl)cccc21 158307507 SFXNBMKFNCJQGC-UHFFFAOYSA-N 291.778 3.834 30 20 CHED COc1ccc2oc(-c3nc4cc(C#N)ccc4[nH]3)cc2c1 160258124 JITHZKPGIDLYBE-UHFFFAOYSA-N 289.294 3.856 30 20 CHED CCCCCCCSCc1nc([C@H](C)OC)no1 161911641 ISDRHYQRKYMCSQ-NSHDSACASA-N 272.414 3.981 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H]1CCCC[C@@H]1C 165464922 MOWCLGDILMXFTE-SUMWQHHRSA-N 256.393 3.877 30 20 CHED N#CCCCCNC(=O)c1ccc(-c2ccccc2)cc1 171507296 FVPMEWLUICQROG-UHFFFAOYSA-N 278.355 3.777 30 20 CHED Cc1ccc(N(C)C(=O)c2cccc(CC#N)c2)cc1Cl 172004673 YCHPJCINKVTSHS-UHFFFAOYSA-N 298.773 3.991 30 20 CHED C#CCOc1ccc(CNCc2cccc(Cl)c2)cc1 172111449 GTUARTCDBOYPHE-UHFFFAOYSA-N 285.774 3.642 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2cc(C#N)ccc2C)C1 175748145 MCAHOMGSDKUCPK-QGZVFWFLSA-N 285.391 3.911 30 20 CHED COCc1ccc(/C=C2/Cc3ccc(OC)cc3C2=O)cc1 176938957 VPUCFHAXWNLIHJ-SXGWCWSVSA-N 294.350 3.664 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCc3ccccc32)s1 176944228 MBLBLYFQGVVBMG-AWEZNQCLSA-N 282.412 3.829 30 20 CHED COc1cccc(CSc2cccc(C#N)c2)c1 177102300 MSKOFKKTRWEDSU-UHFFFAOYSA-N 255.342 3.859 30 20 CHED C[C@H](C(=O)Nc1ccccc1SCCC#N)C1CC1 178482679 CONLRNUCHVTXET-NSHDSACASA-N 274.389 3.677 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2C)C1 178550601 MKWKJQSFMAMNNN-CYBMUJFWSA-N 271.364 3.521 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(C#N)s2)c1 179248396 YQEGGWQFDQNCNH-FNORWQNLSA-N 283.352 3.662 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(F)nc1)c1ccccc1 179318130 POYUYOABMWSCSP-LBPRGKRZSA-N 270.307 3.519 30 20 CHED CC(C)CCOC1CCN(Cc2ccc(C#N)s2)CC1 179333088 XREQMZPUEPTOAQ-UHFFFAOYSA-N 292.448 3.647 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)c1cccc(O)c1)c1ccccc1 179355307 MFRILZNPTGOSKT-CABCVRRESA-N 295.382 3.929 30 20 CHED CCC(CC)[C@@H]1C[C@H](NCc2ccc(C#N)cc2)CCO1 180374438 SBQMEOXPAMOUAS-MSOLQXFVSA-N 286.419 3.632 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)ccc1OCCC 180478040 ITCFUQLCVHULHF-UHFFFAOYSA-N 281.783 3.777 30 20 CHED CC#CCNc1cc(NC(=O)OC(C)(C)C)ccc1F 182307182 AJGLSVSVZHIDEA-UHFFFAOYSA-N 278.327 3.608 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1csc(C(C)(C)C)n1 182592839 KEXNUUWETFOJEA-LBPRGKRZSA-N 294.464 3.844 30 20 CHED CC1(C)[C@H](NCCCCC#N)C[C@@H]1c1ccccc1 184557220 WSIKUVGYZSRRON-HZPDHXFCSA-N 256.393 3.852 30 20 CHED COc1ccsc1C(=O)/C=C/c1cnc2ccc(C)cn12 184767554 VAERLQIBUCHQOV-SNAWJCMRSA-N 298.367 3.609 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 185386930 FESDNHMOKYKAGT-UHFFFAOYSA-N 290.382 3.658 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(OC(F)F)cc2)C1 185723818 RSBHOTKXWLDQOF-ZYHUDNBSSA-N 266.291 3.782 30 20 CHED C=CCC1(C(=O)Nc2cccc(OCCF)c2)CCC1 189357376 VGSGXOBALGXQPY-UHFFFAOYSA-N 277.339 3.720 30 20 CHED CCC(C)(C)CN[C@H](C)c1ccc(OCC#N)cc1 189991529 AEVPIDCWKBODBW-CYBMUJFWSA-N 260.381 3.676 30 20 CHED C=CCCC(=O)Nc1cnn(-c2ccccc2)c1C(C)C 191024069 ONDNIGCLECUSMW-UHFFFAOYSA-N 283.375 3.900 30 20 CHED Cc1ccc(C(=O)NC2(C#N)CCCCC2)c(Cl)c1 191486940 XAUHJZGGCHGEEI-UHFFFAOYSA-N 276.767 3.605 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1c(Cl)cccc1OC 191874093 KZYAWFSQZWROFB-OAHLLOKOSA-N 281.783 3.567 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ncc(F)cc1F 192306630 ZESUGVMJQHOXOD-UHFFFAOYSA-N 294.345 3.568 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C(CC)CC 193130069 VNUBCYFCXLPWBS-UHFFFAOYSA-N 252.402 3.601 30 20 CHED C=CCCCN1CCC(O)(c2ccccc2Cl)CC1 193145280 MEIHYQIEQDDVII-UHFFFAOYSA-N 279.811 3.590 30 20 CHED CCCN(CC(C)(C)CCC#N)c1ccc(CN)cc1 194980338 RIGDFSJYHUIABY-UHFFFAOYSA-N 273.424 3.692 30 20 CHED C#Cc1cccc(NC(=O)Nc2cc(C)cc(C)c2)c1 200434003 UYIUNKVIVNGDMF-UHFFFAOYSA-N 264.328 3.929 30 20 CHED COc1cccc(C(=O)/C=C\c2cccc(OC)c2OC)c1 216035000 MWFBHUXYAWDUIL-KHPPLWFESA-N 298.338 3.609 30 20 CHED C=CCSCCNc1ccc(C#N)c(C(F)(F)F)c1 218874239 HGSMYWUXULQMBV-UHFFFAOYSA-N 286.322 3.908 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(F)c(C#N)c1 229592689 DUWSVZNZHYWRET-CJNGLKHVSA-N 260.356 3.756 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cccnc1 254405801 JWMMGEBFIYWTGX-UHFFFAOYSA-N 268.345 3.527 30 20 CHED Cc1ccc(Nc2nc(CN(C)CCC#N)cs2)cc1 267853963 GMATXJHXSBZCFB-UHFFFAOYSA-N 286.404 3.541 30 20 CHED C[C@H](NCc1cccc(N(C)C)c1)c1ccc(C#N)c(F)c1 271921783 DZUWBAWBXDFWAH-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(C)s1 272455761 JXEGZLTVGMTJSP-UHFFFAOYSA-N 275.373 3.520 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccccc2OCC)no1 273778707 VGFRAXWIWIUYOU-LBPRGKRZSA-N 288.347 3.789 30 20 CHED CCN(CCC#N)C(=O)c1ccc(C(C)C)c(Cl)c1 276110328 UKBPWKFHTJBLLR-UHFFFAOYSA-N 278.783 3.839 30 20 CHED C[C@H](c1ccccc1)N(Cc1cc(C#N)n(C)c1)C1CC1 276764301 NKCJOYJVCBLTEP-CQSZACIVSA-N 279.387 3.622 30 20 CHED C=CC[C@H]1N(C(=O)Nc2cccnc2)CCCC1(C)C 277994665 UPHYSPOOPZXOAM-CQSZACIVSA-N 273.380 3.680 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nccs1 279326651 OMEBPDZGKVUDHX-UHFFFAOYSA-N 258.390 3.721 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)CCc1cccc2ccccc12 286309093 HBXWJTZHAWHCKY-IBGZPJMESA-N 294.398 3.781 30 20 CHED CCC[C@H](CC)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 288620301 MFAUZPRREJJWAD-HNNXBMFYSA-N 290.382 3.670 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 289862759 QNIDIAJBSHEHCI-INIZCTEOSA-N 295.386 3.663 30 20 CHED CCN(C(=O)CCCC#N)c1cccc2ccccc12 291174185 HIFGZRUMFNGHKT-UHFFFAOYSA-N 266.344 3.887 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc2cccnc12 291272147 FBPOIHDVRABKCS-UHFFFAOYSA-N 295.386 3.827 30 20 CHED CSc1ccc(Cl)cc1NC(=O)CCCC#N 291484754 LICSQULDVPEUGB-UHFFFAOYSA-N 268.769 3.694 30 20 CHED CCCc1nc(C)c(CNc2nc(Cl)c(C#N)s2)o1 291630855 BLQDTSNOWMOCQG-UHFFFAOYSA-N 296.783 3.529 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(C(C)(C)C)s1 292475206 PZIVELUSFHCHOH-UHFFFAOYSA-N 276.405 3.587 30 20 CHED C=CC[C@H](C(=O)NCC1CC(F)(F)C1)c1ccccc1 293723440 SUHGNYBEGLJFME-AWEZNQCLSA-N 279.330 3.508 30 20 CHED C=CCC[C@H](C(=O)NCc1cc(C)ccn1)c1ccccc1 294126744 NTBPKTBAQUCAQS-SFHVURJKSA-N 294.398 3.756 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1C 294262656 QSKSOCAHFVLGEO-LBPRGKRZSA-N 281.783 3.592 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C 295076667 IGOWVUGWTNQTDV-HIFRSBDPSA-N 257.377 3.603 30 20 CHED C=CCN1CCC(Nc2cc(C)nc3c(F)cccc23)CC1 301663746 KRCJYZGLPJTZGS-UHFFFAOYSA-N 299.393 3.745 30 20 CHED Cc1cccc2c1CCN2c1snc(Cl)c1C#N 301929109 LQKWDAHWGFXRKG-UHFFFAOYSA-N 275.764 3.671 30 20 CHED C=CCN(Cc1ccccc1)c1snc(Cl)c1C#N 302074719 VQGWIYAWUKNELO-UHFFFAOYSA-N 289.791 3.861 30 20 CHED C=CCCCCNc1ccc(Br)cn1 302236638 GBWINFLKTKVDEF-UHFFFAOYSA-N 255.159 3.612 30 20 CHED C[C@H](O)[C@@](C)(CNc1ccc(C#N)cc1)Cc1ccccc1 302732948 UWSCVPWBQUYQNM-HNAYVOBHSA-N 294.398 3.600 30 20 CHED CC1CC(Nc2cc(Br)c(C#N)cc2F)C1 309518204 ZFIBLDXXQNWHGI-UHFFFAOYSA-N 283.144 3.670 30 20 CHED COCc1cccc(Nc2nc(Cl)c(C#N)s2)c1 310989321 GIKJEHGKSQKQET-UHFFFAOYSA-N 279.752 3.558 30 20 CHED Cc1cc(NC(=O)c2cccc(C#N)c2)c(Cl)cc1F 312417039 RQRHAWJGTMIVNK-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)c1ccc(/C(O)=N/C2CCC(C(=N)O)CC2)cn1 331215745 DBNFJXIBMDMBNG-UHFFFAOYSA-N 289.379 3.604 30 20 CHED N#C[C@H]1CC[C@@H](N2CCc3cc(-c4ccccc4)oc3C2)C1 334359833 XHIRJKPOFXFFLU-WMLDXEAASA-N 292.382 3.997 30 20 CHED CC1=C[C@@H](C)CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 334724915 KXABKZXMWGGLFM-CQSZACIVSA-N 296.414 3.552 30 20 CHED C=C(C)Cn1c(C)nnc1N1C[C@H]2CC[C@H]1c1ccccc12 334754702 JVVFWCVXCHWUTH-PBHICJAKSA-N 294.402 3.601 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccsc1Cl 335388627 MUINYXFLUQVCSA-SECBINFHSA-N 270.785 3.974 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 335911872 MKOFVORYDAUZBZ-MRVPVSSYSA-N 291.763 3.562 30 20 CHED CCSCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 336803837 ZXLQSOUEBDANQQ-HZPDHXFCSA-N 274.433 3.511 30 20 CHED CC(C)N(CCCC1(C#N)CCOCC1)CC1CCC1 337185190 CPDLBUKVZSBBRU-UHFFFAOYSA-N 278.440 3.597 30 20 CHED N#Cc1cc(NCc2ccc(C(F)(F)F)cn2)ccc1F 340604360 XVUAWYQDZBGUIU-UHFFFAOYSA-N 295.239 3.723 30 20 CHED COc1cc([C@H](C)Nc2c(Cl)cccc2C#N)ccn1 340944044 YSZGMMIFPLMEMY-JTQLQIEISA-N 287.750 3.788 30 20 CHED Cc1nsc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1C#N 342288789 DVMHKMTUJCYNQW-IJLUTSLNSA-N 261.394 3.704 30 20 CHED N#Cc1ccc(CN2CCC3(CCC3)C2)c(OC(F)F)c1 344210161 ABSMOEFDWBNTPX-UHFFFAOYSA-N 292.329 3.536 30 20 CHED CC(C)CN(CC[C@H]1CCCO1)Cc1ccc(C#N)cc1 346267080 SRPHUPZLBUKBRT-GOSISDBHSA-N 286.419 3.585 30 20 CHED C=CCCCCN[C@H]1CCCOc2cc(F)ccc21 349357063 SAWXJDYMXPSHKU-HNNXBMFYSA-N 263.356 3.985 30 20 CHED C=C(C)C[C@@H](C)c1nc(CC2CC(F)(F)C2)no1 351168098 NXZQXYQEVMXFOH-SECBINFHSA-N 256.296 3.727 30 20 CHED Cc1sccc1CN(CCC#N)CC(C)(C)C 351403310 YYXZVDVOFJYXPV-UHFFFAOYSA-N 250.411 3.818 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc2c[nH]nc2c1 351586355 WNHZQBBKENGHQP-UHFFFAOYSA-N 277.371 3.751 30 20 CHED C=CCn1c(S[C@H](C)C(C)C)nnc1-c1ccccn1 352153170 LHDAWIGMVSAIDA-GFCCVEGCSA-N 288.420 3.663 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](CCC)c1ccccn1 352511969 UVNIDJZFLVAGTN-CQSZACIVSA-N 274.408 3.684 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1F 354097971 UGTGLPKTRJVCSQ-UHFFFAOYSA-N 297.333 3.690 30 20 CHED N#CCCN(CCC#N)Cc1cccc(-c2ccccc2)c1 354195487 SMIJUTPFMZFUCU-UHFFFAOYSA-N 289.382 3.983 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@@H](CC(C)C)c1ccccc1C 354392755 JHPNAGLTCIOFJD-WMZOPIPTSA-N 289.419 3.526 30 20 CHED CC[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1 358204982 QKJJOOSRSSPZSG-SFHVURJKSA-N 298.361 3.817 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(N(CC)CC)nc1 358924810 RLLZKWFTWAMEKA-UHFFFAOYSA-N 287.407 3.635 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](CC)CC1CCCC1 359447523 SLQGKCLSIMCSDZ-OAHLLOKOSA-N 262.397 3.521 30 20 CHED Cc1nccc(Sc2ccc(C#N)c(C(F)(F)F)c2)n1 360170991 MFRSOHIEZXAXMO-UHFFFAOYSA-N 295.289 3.827 30 20 CHED C=CCCCC(=O)N(CC(C)C)c1ccc(C#N)cc1 360428708 OWLRFOOXJPURAB-UHFFFAOYSA-N 270.376 3.904 30 20 CHED C[C@H]1C[C@H](CCNC(=O)CCCC#N)CC(C)(C)C1 360471508 BLEONNJKBOUYMR-KBPBESRZSA-N 264.413 3.649 30 20 CHED CCCCCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 363572643 HMLFFSQQLSEYTB-IRXDYDNUSA-N 284.403 3.865 30 20 CHED Cc1cc([C@H]2CCCN2CCCCC(C)(C)C#N)no1 368439103 QQMNYJPFWAQCMU-OAHLLOKOSA-N 275.396 3.840 30 20 CHED C[C@@H](NC(=O)N1CCC2(CCC2)CC1)c1ccc(C#N)cc1 377156422 BSKZWMLTPSJDPB-CQSZACIVSA-N 297.402 3.595 30 20 CHED C[C@@H](C1CCC1)N(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 410655903 IPCVCEBRHDAAOW-AWEZNQCLSA-N 298.430 3.774 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1C(=O)Nc1ccccc1CC#N 410825206 FNKYKWOQDQNTCN-VQIMIIECSA-N 290.366 3.669 30 20 CHED C[C@]1(C(=O)Nc2cc(C#N)c3ccccc3n2)CC=CCC1 410865066 UOPWWUJQNZETEQ-SFHVURJKSA-N 291.354 3.791 30 20 CHED CC[C@H](C)[C@H](NCCC#N)c1ccc(Cl)cc1 411476605 UXXSAVLIWCHGKA-FZMZJTMJSA-N 250.773 3.930 30 20 CHED Cc1sc2nc([C@H](C)SCCC#N)nc(O)c2c1C 413015999 UZVJCKAVJGLWMX-VIFPVBQESA-N 293.417 3.722 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 413476325 VEFZWLPMYKVGCO-QNDJGXFYSA-N 296.414 3.769 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N1CCc2cc(C#N)ccc21 416009962 GHEVNHMLRWDUER-ZBFHGGJFSA-N 282.387 3.664 30 20 CHED C=CCCCC(=O)NC(C)(C)Cc1ccc(C)cc1 416069995 VWRWKOJEOGRFMT-UHFFFAOYSA-N 259.393 3.789 30 20 CHED CC(C)n1nccc1CN[C@@H]1CCCc2cc(C#N)ccc21 418149400 UTZYKLDXIFHSJR-GOSISDBHSA-N 294.402 3.503 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2ccccc2)C1(C)C 421724086 ZIICBESWHSQJFO-QGZVFWFLSA-N 283.415 3.975 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)CCCc1nc2ccccc2[nH]1 424618343 QGTIHMMBRHPAKP-UHFFFAOYSA-N 299.418 3.556 30 20 CHED COc1ccc([C@H]2CCCN2c2cc(C)ncc2C#N)cc1 425200372 KVEIOEHRJCYTAA-QGZVFWFLSA-N 293.370 3.612 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 425603668 BNYXOBOHIYLLIK-HNNXBMFYSA-N 270.376 3.532 30 20 CHED CC[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 426995502 QUTKDQWQUASOGA-HNNXBMFYSA-N 281.321 3.931 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1C[C@@H](C)C[C@H](C)C1 431700212 ZGXBVBIXBMNBLJ-RYUDHWBXSA-N 285.391 3.813 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(OC)c1 432077440 ISTIJRGEAGERSD-ZDUSSCGKSA-N 290.407 3.658 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(OCC)c1 432912991 YJSPNUJZIXQOIH-UHFFFAOYSA-N 276.380 3.809 30 20 CHED CCc1ccc([C@@H](C)C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 434031085 LIBHCCHAVPGWPO-RHSMWYFYSA-N 298.430 3.893 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1[nH]ccc1C 435461150 VSGLYBMGKWJKQD-UHFFFAOYSA-N 260.381 3.532 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1nccc2ccc(F)cc12 435598814 SVRGUQXOQSFNMA-CZUORRHYSA-N 286.350 3.767 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1c(F)cccc1Cl 435742650 WLYPDNSJHUEPOT-IAQYHMDHSA-N 283.774 3.550 30 20 CHED Cc1nc(C(C)C)oc1COc1ccc(C#N)cc1 436476354 YYTRSJCVJWQDKG-UHFFFAOYSA-N 256.305 3.557 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C(=O)CC)ccc1O 436769545 YVPFRAKWMUYXKD-UHFFFAOYSA-N 275.348 3.526 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(C#N)cs1 437912716 SBYPUZJDBBHGBS-ZYHUDNBSSA-N 276.405 3.564 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1C1CC1 443108351 HZQWPSOEXPZRBZ-UHFFFAOYSA-N 292.338 3.702 30 20 CHED C=CCCCN1CC[C@H](C(=O)OCC)c2ccccc21 444709390 QTLNLOXIGPCYKT-HNNXBMFYSA-N 273.376 3.510 30 20 CHED C=CCCCCCn1nc(-c2ccccc2)ccc1=O 447295322 KGJYUQBPFBFPHS-UHFFFAOYSA-N 268.360 3.657 30 20 CHED CC[C@H](NC[C@@H](C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1 447537525 WMMDTJLGIFQLLF-MDZRGWNJSA-N 299.462 3.719 30 20 CHED CC1(C#N)CCC(NCCc2cccc3cccnc23)CC1 449070147 BEBRVGZPNYSOBW-UHFFFAOYSA-N 293.414 3.839 30 20 CHED Cc1ccc(OCCCNC2CCC(C)(C#N)CC2)cc1 449109957 ZUOQBKYRIBTTIG-UHFFFAOYSA-N 286.419 3.826 30 20 CHED CC1(C#N)CCC(NCCCc2ccccc2F)CC1 449298958 LVQDPVVDVPHHHT-UHFFFAOYSA-N 274.383 3.820 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 450113339 KUXJNOFUTCPZLD-QAPCUYQASA-N 288.435 3.745 30 20 CHED N#CC1(CN2CCC[C@H]2Cc2cccc(F)c2)CCC1 450272890 ZPUJPYMZQVFPSX-INIZCTEOSA-N 272.367 3.526 30 20 CHED C=CCC1(C(=O)N[C@H]2Cc3cccc(O)c3C2)CCCCC1 451193464 XUYYSLFGYCOOKR-HNNXBMFYSA-N 299.414 3.502 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCC1=CCCCC1)CC2 453241897 DTCUNUHZOKKKRD-QGZVFWFLSA-N 252.361 3.636 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1cccc(OC(F)F)c1 454274067 VGDVKHIMKLKBAA-LLVKDONJSA-N 298.333 3.614 30 20 CHED C=CCC1(NC(=O)Nc2c(C)noc2C)CCCCC1 454648897 WKBBQIWMMQKIKG-UHFFFAOYSA-N 277.368 3.692 30 20 CHED C=C(CC)CNC(=O)CCCc1ccc(Cl)cc1 456830963 RSECCMJWGFBOPH-UHFFFAOYSA-N 265.784 3.745 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC2(CCCCC2)CC1 459262222 UPPBXQDKNLSBEA-UHFFFAOYSA-N 291.439 3.682 30 20 CHED CC(C)[C@H](NCCCCC(C)(C)C#N)C1(CO)CCCC1 459547215 VLIHWOUVVNGHDG-INIZCTEOSA-N 294.483 3.873 30 20 CHED C=C[C@@H](C)NC(=O)N(CC)[C@H](CC)c1ccccc1 464759000 UYINNQBIHXORJL-UKRRQHHQSA-N 260.381 3.744 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(Cl)cc1F 466400180 TXTKKGGBEXIZKY-SNVBAGLBSA-N 270.735 3.955 30 20 CHED CC#CCCCC(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl 466423023 POMGNOINQJEOGT-RISCZKNCSA-N 293.769 3.645 30 20 CHED C=CCCN(C)C(=O)NCCc1csc2ccccc12 466975754 ZZFFNDDSQOBXRU-UHFFFAOYSA-N 288.416 3.661 30 20 CHED C=CCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 467291419 NAHLOAUDCZOKOA-UHFFFAOYSA-N 267.294 3.565 30 20 CHED C=CCCN(C)Cc1cccc(OCC(F)(F)F)c1 467293141 IJVDZZGDOYRIDF-UHFFFAOYSA-N 273.298 3.636 30 20 CHED CC(C)[C@H](NCCc1cccc(C#N)c1)c1ccc(F)cn1 467440509 UOXGZZMZQJRGQR-SFHVURJKSA-N 297.377 3.622 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 468013495 HIFJZBXKRQBIJQ-PBHICJAKSA-N 275.367 3.744 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@H]1CC[C@H](C)C1 468751919 ACJVLEPVEIGRDZ-GJZGRUSLSA-N 287.403 3.694 30 20 CHED C=C(CC)CN1CC[C@@H](c2c(F)cccc2F)C1 469451852 GMNGBZZQSVPKMG-GFCCVEGCSA-N 251.320 3.720 30 20 CHED C=CC[C@H]1N(C(=O)Cc2ccsc2)CCCC1(C)C 470297086 LFIYLRWMWPYWTH-CQSZACIVSA-N 277.433 3.884 30 20 CHED C=CCCCCNC(=O)Nc1c(F)ccc(OCC)c1F 473791399 XEYJBZMLSSJXSV-UHFFFAOYSA-N 298.333 3.841 30 20 CHED C=CC[C@H](CO)CN[C@H](C)[C@H](C)c1ccc(Cl)cc1 474894561 SHEAIRNLXUHNSM-MJBXVCDLSA-N 281.827 3.606 30 20 CHED C[C@@H](CNc1ccc(C#N)c(Cl)c1)C(F)(F)F 475736284 YCSFECSXAPZOLI-ZETCQYMHSA-N 262.662 3.822 30 20 CHED CC(C)(C(=O)COc1ccc(C#N)cc1F)c1ccccc1 475894387 ACZMPLPTWOKVFC-UHFFFAOYSA-N 297.329 3.623 30 20 CHED C=C1CCN(C(=O)C2(c3ccccc3C)CCCC2)CC1 486106823 DEYLHJKPENJROC-UHFFFAOYSA-N 283.415 3.985 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 487746417 DMKCTJDSZMJRQG-HZPDHXFCSA-N 272.392 3.540 30 20 CHED N#CCCNC(=O)Nc1cc(F)ccc1Oc1ccccc1 488281843 UBOIEFJWPVZVOQ-UHFFFAOYSA-N 299.305 3.653 30 20 CHED C=CCN(CCC#N)c1cc(C(C)C)nc(C(C)C)n1 488514122 IRGXXHULOYNLLD-UHFFFAOYSA-N 272.396 3.629 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(-n2cccc2)cc1 488864684 YYAMHJGRPWEERE-INIZCTEOSA-N 280.371 3.658 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C\c1ccccc1 492441022 MXHRGCMSFCIXEB-NYHXXUGCSA-N 292.338 3.629 30 20 CHED COC(=O)Nc1cccc(NCc2ccccc2C#N)c1C 497054162 DSFIAUKIKWACMZ-UHFFFAOYSA-N 295.342 3.657 30 20 CHED C=CCN(CC=C)C(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 497893875 HREVPLLTKWYNGA-GVDBMIGSSA-N 293.451 3.664 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC=C)CCc1ccco1 498317749 ZOBYTFGPBHPMFK-HNNXBMFYSA-N 290.407 3.765 30 20 CHED Cc1ccc(SCC(=O)N[C@@](C)(C#N)CC(C)C)cc1 502448366 XCCKBMAEXOUZBD-MRXNPFEDSA-N 290.432 3.532 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 505611009 PMWJTJKEZTULCU-UFPBRMSXSA-N 288.435 3.601 30 20 CHED CC(=O)c1cc(NCC#Cc2ccc(F)cc2)ccc1F 506206974 QFVHDQNALWCHJR-UHFFFAOYSA-N 285.293 3.631 30 20 CHED C=C(C)CCN1CC=C(c2ccc(C#N)cc2)CC1 508977014 IAYWOQROIGECLU-UHFFFAOYSA-N 252.361 3.614 30 20 CHED C=CC1CCN(Cc2c(Cl)cccc2C(=O)OC)CC1 509672219 UIZCPURKCHQSMD-UHFFFAOYSA-N 293.794 3.525 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC(C)(C)c1ccccc1 510480612 SUSDLEYISYSBSL-UHFFFAOYSA-N 292.382 3.574 30 20 CHED C[C@H]1CCCC[C@H]1NCCSCc1ccccc1C#N 512058226 NZMVMDWRKUASBH-WMLDXEAASA-N 288.460 3.960 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1CCCSCC#N 514662662 KXRAWCDYLIGBAR-KBPBESRZSA-N 268.470 3.780 30 20 CHED C=CC[C@H](C)NC(=O)Nc1nc(C(C)(C)C)cs1 516339325 NPAJBPFFJIRLPF-VIFPVBQESA-N 267.398 3.527 30 20 CHED Cc1cccc2c1N(C(=O)c1ccc(Cl)c(C#N)c1)CC2 517623901 IFMPMWLYIWYIQX-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)C1 523971806 ZMWNKEBJKRFGNF-PNBKFKSVSA-N 276.424 3.791 30 20 CHED Cc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ccn1 527531614 ALFXGEGMBSYZOL-UHFFFAOYSA-N 279.387 3.672 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cc3c(cc2Cl)CCC3)C1 528001141 LNINJIDJLPUAKK-MFKMUULPSA-N 260.768 3.933 30 20 CHED C=C(C)[C@@H](CC(=O)N(CCC)Cc1ccccc1)OCC 535910082 GCDVIQPFONHPAD-QGZVFWFLSA-N 289.419 3.797 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(-c2ccccc2C)c1 537232746 WAWODCMUGBAHMG-HNNXBMFYSA-N 297.402 3.655 30 20 CHED Cc1ccsc1CCN[C@@H](C)c1ccc(C#N)c(F)c1 538507347 XZKLMAFWVCCKCE-LBPRGKRZSA-N 288.391 3.961 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CC[C@@H](C)C[C@H]2CC)CC1 538760485 PGAQMMCKPMDYCX-JFIYKMOQSA-N 278.484 3.831 30 20 CHED C=C(CC)CS[C@@H]1CCN(c2ccccc2F)C1=O 539095229 GTDLEIDDGNHNKV-CQSZACIVSA-N 279.380 3.630 30 20 CHED Cc1ccc2[nH]c(CN(CCC#N)C(C)C)cc2c1C 545328763 MFYIXSQIOOQCTE-UHFFFAOYSA-N 269.392 3.909 30 20 CHED CC(C)N(CCC#N)C(=O)Nc1ccc(F)c(Cl)c1 547505823 WJNWGHDCAQBFOE-UHFFFAOYSA-N 283.734 3.635 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCC#N)C(C)C 549086442 KQLKGQUJPCHHMC-DLBZAZTESA-N 284.403 3.503 30 20 CHED N#Cc1ccccc1CN1CC[C@](F)(c2ccccc2F)C1 549415068 UXTMEJLQHYKSKH-GOSISDBHSA-N 298.336 3.768 30 20 CHED N#Cc1nn(Cc2cccc(F)c2Cl)c2ccccc12 555036709 MYCJHRGUOJOCDC-UHFFFAOYSA-N 285.709 3.749 30 20 CHED C=CCC1(c2nc(Cc3cc(C)ccc3OC)no2)CCC1 558271268 LWGLTTUDUQNMMO-UHFFFAOYSA-N 298.386 3.975 30 20 CHED C=C(C)COc1cc(CN2CC[C@@H](C)[C@H]2C)ccc1OC 560662437 HNUZKFFWWKGLSY-HUUCEWRRSA-N 289.419 3.880 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)c1ccc(NC(N)=O)cc1 561016767 PQBHNNFGLHIBMA-ZIAGYGMSSA-N 289.423 3.963 30 20 CHED CC(C)CC[C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1 562180674 TXRRIVZBBVZMSQ-AWEZNQCLSA-N 299.418 3.671 30 20 CHED C=CCCCCN[C@@H](C)c1cc(F)ccc1OC 562303320 XGQOKNJEMYJPOL-LBPRGKRZSA-N 251.345 3.841 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2oc3ccccc3c2C)no1 562772159 VITBZZGXDUWTBP-OLZOCXBDSA-N 296.326 3.850 30 20 CHED CCc1ccc(-c2noc(-c3cc(C#N)oc3C)n2)cc1 564221989 BYEVCVUCKCRQDN-UHFFFAOYSA-N 279.299 3.739 30 20 CHED C=CCC1(C(=O)NCc2cnc(C3CC3)o2)CCCCC1 564636550 SIFQMVKVFIWOSJ-UHFFFAOYSA-N 288.391 3.695 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C#N)c2ccccc2n1 568378421 FXZLEXSMZJWKRX-VXGBXAGGSA-N 281.359 3.727 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3ccncc3)C2)CCCCC1 568881311 NIEMEQGWTZHZFB-QGZVFWFLSA-N 298.430 3.924 30 20 CHED C=CCOCCCC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 568922274 HSXSQZNMUOVROO-HUUCEWRRSA-N 281.440 3.642 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)c1ccccc1Cl 578544240 NOXUKOXAFKASPB-GFCCVEGCSA-N 281.783 3.674 30 20 CHED N#CC1(CN[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 580691337 BCLYUHOVSQPYHH-LSDHHAIUSA-N 274.795 3.869 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@H]3CCC[C@@H](C3)C2)n1 588068206 MMWRJBUOUAEMQP-KBPBESRZSA-N 283.419 3.877 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCCSC1 588232486 IVLXKZASZBLQAC-RHSMWYFYSA-N 286.444 3.668 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(F)cc2F)c1 588476643 VFMULXNSENGVRQ-HYXAFXHYSA-N 259.255 3.564 30 20 CHED N#C[C@@H]1CC[C@H](Sc2ccc([N+](=O)[O-])cc2F)C1 590736753 CPXTZHDEUJPMQM-SCZZXKLOSA-N 266.297 3.518 30 20 CHED N#CCN(C(=O)[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cc1 592653263 RTMPNIMQJUYLOE-SNVBAGLBSA-N 298.720 3.632 30 20 CHED N#Cc1ccc(-c2cccc(CN3CCCC3)c2)s1 592988147 GPUMWCXJVVEKRQ-UHFFFAOYSA-N 268.385 3.883 30 20 CHED C[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C[C@H](C)C1 593998568 MBNYFZKEPGDQJA-BZUAXINKSA-N 298.430 3.631 30 20 CHED CC[C@H](CC(F)F)CN(C)Cc1ccc(C#N)cc1 595289110 OKLDNJNWIJKELL-GFCCVEGCSA-N 266.335 3.671 30 20 CHED C[C@H](C#N)N(Cc1cccc(C(F)F)c1)C1CC1 595710242 OLVRZNNWFFSIKD-SNVBAGLBSA-N 250.292 3.501 30 20 CHED Cc1cc(N(C)C)ccc1NC(=O)CC1(C#N)CCCCC1 596809679 YJHPZSSTEXKECB-UHFFFAOYSA-N 299.418 3.864 30 20 CHED C=CCC1(NC(=O)Nc2ccc(C#N)cc2OC)CCCC1 596840216 YUCQNFJXFHZPLG-UHFFFAOYSA-N 299.374 3.577 30 20 CHED CC[C@@H](C)CN(CC)C(=O)CC1(C#N)CCCCC1 597344235 LTUSMUOFGRLVDO-CQSZACIVSA-N 264.413 3.745 30 20 CHED CCC[C@H](C(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 597489719 LVYFDYSZTKANCR-AWEZNQCLSA-N 292.810 3.890 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@H]1c1c(C)cccc1C 597886582 ONSBWGBVXRCSGI-LSDHHAIUSA-N 270.376 3.517 30 20 CHED N#Cc1ccsc1NC(=O)C1[C@H]2CCCCCC[C@H]12 598799935 KALKAGKOEZLFEI-RYUDHWBXSA-N 274.389 3.775 30 20 CHED CC(C)(CC#N)CSc1ncc(C(C)(C)C)[nH]1 601097595 VMVYIXUQTYEIQU-UHFFFAOYSA-N 251.399 3.739 30 20 CHED CCN(Cc1ccns1)[C@@H](C)c1ccc(C#N)cc1 602443165 GYLMROAWEYBCAO-LBPRGKRZSA-N 271.389 3.598 30 20 CHED CCCC1(CN[C@@H](C)CC2(C#N)CCOCC2)CCC1 602571319 ZUVHIBJMZNRCML-HNNXBMFYSA-N 278.440 3.645 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(N(C)C)c(F)c1 606814864 UUOAUTJIFPDMHA-UHFFFAOYSA-N 292.398 3.710 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(C#N)cc1F 610280511 UXYHPJSKHNXBRM-DLBZAZTESA-N 266.319 3.839 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCC2)ccc1C(F)(F)F 610388603 MRBLDBLHCCCIIW-UHFFFAOYSA-N 282.265 3.646 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(C3CC3)cc2)c1 611307552 QHLFOPLGWVXRLQ-UHFFFAOYSA-N 262.312 3.688 30 20 CHED Cc1cc(CN2CCCc3sccc3C2)ccc1C#N 618593758 ITKXSDQPCIBYEF-UHFFFAOYSA-N 282.412 3.877 30 20 CHED Cc1cc(C)cc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 618741548 HASBZHHMFCZPAX-LJQANCHMSA-N 276.383 3.952 30 20 CHED COc1ccsc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618802485 DXYOVNHUBDCRDB-IAQYHMDHSA-N 298.411 3.966 30 20 CHED C=CCC1(NC(=O)c2ccc(C)cc2F)CCCC1 619108115 PNNMJUSECBTHHQ-UHFFFAOYSA-N 261.340 3.753 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)NCc1ccc(C#N)c(Cl)c1 619766911 KWASYHLDGSFLOR-MNOVXSKESA-N 278.783 3.510 30 20 CHED C=CCCC(C)(C)NC(=O)CCNc1ccccc1C 620863282 NGWVJXATTWMZOL-UHFFFAOYSA-N 274.408 3.658 30 20 CHED CC#CCCCC(=O)Nc1cccc(Br)c1F 622950563 GPOMUIYUYXBREC-UHFFFAOYSA-N 298.155 3.720 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(OC)cc2C)no1 624728086 DXHNQDZVQPEZEN-UHFFFAOYSA-N 272.348 3.907 30 20 CHED C=C[C@@H](CC(=O)NC1(C2CCC2)CC1)c1ccccc1 650662195 CSWLRIOIMJOJKR-AWEZNQCLSA-N 269.388 3.795 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCC(=O)N1CCCCCC1 657862125 CKBKMEFGFPQANZ-IAGOWNOFSA-N 292.467 3.504 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1CC2(CC2)C1 666956489 VIAWTZLFXPMFJK-UHFFFAOYSA-N 273.351 3.531 30 20 CHED C=CCCCNC(=O)c1cc2cccc(C)c2s1 673610162 KHEKFFIILFEIEM-UHFFFAOYSA-N 259.374 3.906 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2C(F)(F)C1 676367797 WSXHXZRYVARGFP-UHFFFAOYSA-N 291.341 3.889 30 20 CHED C=C(CC)CN1CCc2sc(Br)cc2C1 678626064 BOOMHOWTLBOLKO-UHFFFAOYSA-N 286.238 3.835 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CCc2c(Cl)cccc21 678808946 BUSVTKMRVPICQA-CQSZACIVSA-N 275.779 3.570 30 20 CHED CCN(CC)C(=O)c1ccc(C#Cc2ccccc2)cc1 680949230 ITJVAUGDWYTRKN-UHFFFAOYSA-N 277.367 3.568 30 20 CHED C=CCCN(C)C(=O)c1ccccc1Oc1cccnc1 682439340 WVTMFGWGMBHOJB-UHFFFAOYSA-N 282.343 3.522 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1ccc(C)o1)C1CC1 684929130 FMLYHJIHPCJPOZ-ZDUSSCGKSA-N 276.380 3.617 30 20 CHED Cc1ccc(C)c(NN=Cc2cnn(-c3ccccc3)c2)c1 725804780 NAFIJAHNCYCDPA-UHFFFAOYSA-N 290.370 3.935 30 20 CHED C#CCCOC(=O)CCCC(=O)c1c(C)cc(C)cc1C 727041590 DQCXBDAWEYZPKE-UHFFFAOYSA-N 286.371 3.531 30 20 CHED C=C(C)CNC(=S)N1CCCc2c(C)cc(C)cc21 727285441 VPVUKCWYSATYHX-UHFFFAOYSA-N 274.433 3.507 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1F 727639642 OHOUIRLMGBYCTD-GFCCVEGCSA-N 283.302 3.924 30 20 CHED COc1ccc2ccccc2c1C=NNC1CCCC1 727652903 VIMJKWPFWADCOL-UHFFFAOYSA-N 268.360 3.715 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(O)c(C)c1 728232881 XOZYPBXPEVMFQX-YFHOEESVSA-N 268.312 3.605 30 20 CHED C#Cc1cccc(N(C(=O)Cc2cccc(F)c2)C(C)C)c1 728248481 UYXKJFOVWZZCOY-UHFFFAOYSA-N 295.357 3.791 30 20 CHED N#CCOc1cccc(/C=C2\CCc3sccc3C2=O)c1 730149504 JCOUTXJYIWPXNL-JLHYYAGUSA-N 295.363 3.863 30 20 CHED CCCCCCCCC(=O)Nc1cc(C)[nH]c1C(=O)OC 732079652 BMGRFDYAYRFHKY-UHFFFAOYSA-N 294.395 3.799 30 20 CHED C=CCNC(=S)NCC(C)(C)CCCc1ccccc1 733756261 UXEPWGHPUUGNLW-UHFFFAOYSA-N 290.476 3.686 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1cncs1 734746846 LYOQQZPUJGENIY-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C=CCCCOC(=O)[C@H](C)CSc1ccccc1 735537147 VJFFLWAJIBFZJN-CYBMUJFWSA-N 264.390 3.924 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](CC)c1ccc(F)cc1F 739266529 AZSGMRNTYBTCNC-NHYWBVRUSA-N 298.329 3.940 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1Cl 741463877 JASBDTGMVULLSB-WAPJZHGLSA-N 288.730 3.950 30 20 CHED C#CCCCNC(=O)Cc1coc2ccc3ccccc3c12 742786191 NPKYTJRICMUEPV-UHFFFAOYSA-N 291.350 3.658 30 20 CHED FC(F)Oc1ccc(C=NNc2ccc(Cl)nc2)cc1 743449633 AXDHWHSJDZTQFJ-UHFFFAOYSA-N 297.692 3.782 30 20 CHED CCN(CCCC#N)Cc1ccc(C(F)(F)F)cc1 746137277 BYIGSVWCYCKVSI-UHFFFAOYSA-N 270.298 3.831 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cc1)c1cnn(C)c1 746576631 PHRWAPSZFKCNHD-UHFFFAOYSA-N 296.296 3.665 30 20 CHED COCCON=C(C)c1ccc(OCc2ccccc2)cc1 748790033 YAWIUCCGQWDIJH-UHFFFAOYSA-N 299.370 3.653 30 20 CHED CCCCCCCNc1cccc(OCC(=O)N(C)C)c1 749265138 KYSGPNAGGGAODX-UHFFFAOYSA-N 292.423 3.536 30 20 CHED O=C1/C(=C\c2cccc(F)c2)Cc2c(F)ccc(F)c21 749583192 VGQGRJOUJFPHND-POHAHGRESA-N 274.241 3.926 30 20 CHED Cc1cccc(C(=O)OC[C@H](C#N)Cc2ccccc2)c1C 750784427 ZSWSWYCPLHHXHX-KRWDZBQOSA-N 293.366 3.843 30 20 CHED COc1ccc(C=NNc2nc(C3CCC3)cs2)cc1 753565059 UXXHXUSCNLEGFO-UHFFFAOYSA-N 287.388 3.865 30 20 CHED CCCCCCCCNC(=O)Cc1csc(CC)n1 754851690 VYDVKKXMYZEFTR-UHFFFAOYSA-N 282.453 3.725 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(CCC)cc1)OCC 755422119 QZVJLZGOFAWJGS-INIZCTEOSA-N 275.392 3.949 30 20 CHED Clc1ccc(C=NO[C@H]2CCCCO2)cc1Cl 755821798 IGACHNHOAILLTR-LBPRGKRZSA-N 274.147 3.871 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccccc2O)ccc1OC 757474879 MHBMZWWNMQHFBP-NTMALXAHSA-N 298.338 3.696 30 20 CHED CCCCCCCC(=O)N[C@@H](C)CNc1ccccc1 758348583 RJRPANLXULQMBG-HNNXBMFYSA-N 276.424 3.964 30 20 CHED CC(=NOCC(F)F)c1ccc2ccccc2c1O 758912176 UKNSNEKVTQMUAN-UHFFFAOYSA-N 265.259 3.551 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccc(F)c(F)c1 759074701 HOTIEFOTIQVWJP-ONEGZZNKSA-N 285.702 3.971 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(F)cc1O 759653072 OBBUDCSXVJMJOP-UHFFFAOYSA-N 276.286 3.815 30 20 CHED CCC1(CNC(=O)Cc2ccccc2CC#N)CCCCC1 762536781 MEDUXWXUEKPZPR-UHFFFAOYSA-N 298.430 3.772 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc2nsnc12 766013755 XUGWBVBEPIOPHV-UHFFFAOYSA-N 295.411 3.880 30 20 CHED CCCCCCCOC(=O)c1ccnn1C(C)C 766281387 BOAROBNWQJUBRP-UHFFFAOYSA-N 252.358 3.591 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 767907746 SFWZLSRECFRRTC-YJBOKZPZSA-N 286.419 3.990 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cnc3ccc(C)cn23)c1 771860990 UMKCECKIOSCTOG-FNORWQNLSA-N 292.338 3.553 30 20 CHED C=C(CC)COC(=O)c1sc(C)cc1OC(F)F 773514680 HHWISPKYNLLHOE-UHFFFAOYSA-N 276.304 3.781 30 20 CHED C#CCCCCC(=O)OCc1cc2c(C)cccc2[nH]1 773789830 XJYRCSGBGQKFLS-UHFFFAOYSA-N 269.344 3.713 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cc(C(=O)OC)co2)cc1 774119841 ODBFLKXTTSENCH-MDZDMXLPSA-N 298.338 3.915 30 20 CHED COc1ccc(CCC(C)=NOC2CCCC2)cc1 774604588 YYNJQCOBEKFVCS-UHFFFAOYSA-N 261.365 3.963 30 20 CHED C#CCN(CC)Cc1nc(-c2ccccc2Cl)cs1 775609285 KHYPSIGZACUQCU-UHFFFAOYSA-N 290.819 3.919 30 20 CHED C=CCCC[C@@H](C)NC(=O)/C=C\c1ccccc1F 775926140 REOOOWKNNRMQCI-YLGBQOPLSA-N 261.340 3.700 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(F)cc1Cl 776356119 CBQNOWOQQGKRKV-UHFFFAOYSA-N 269.703 3.576 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2cc(F)ccc2C)c1C 777916533 KVVFQJRCNBYZTG-CLFYSBASSA-N 286.350 3.863 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@H]1CO 779027096 JXKYOULUUXKRSC-CVEARBPZSA-N 283.456 3.747 30 20 CHED C=C(C)CN(C)Cc1sc2nc(C)nc(C)c2c1C 779144872 RAWPGPKRTJRITB-UHFFFAOYSA-N 275.421 3.624 30 20 CHED CCCC1(C(=O)OCc2ccc(Cl)cc2C#N)CC1 780034318 JEDLFELMDKHRQN-UHFFFAOYSA-N 277.751 3.835 30 20 CHED Cc1ccc2c(CC(=O)OCC3(C#N)CCCC3)coc2c1 780532442 XERIWYAADNVXPO-UHFFFAOYSA-N 297.354 3.911 30 20 CHED Cc1ccc(OCC(=O)OCCCC(C)(C)C#N)cc1C 781962343 BHFGVFWEUFNJED-UHFFFAOYSA-N 289.375 3.555 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1nccnc1C 783522634 WFPXABFULZRAFJ-UHFFFAOYSA-N 295.264 3.607 30 20 CHED c1ccc2c(c1)NCCCC2=NNC1CCCCC1 786043655 QRYCRZNLYOTJGD-UHFFFAOYSA-N 257.381 3.519 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(C)s1 787039114 XVFLTCJPOFKLQT-OLZOCXBDSA-N 278.421 3.868 30 20 CHED CC(C)(C)OCCCCOC(=O)c1ccccc1CC#N 789015833 HWLMLZSMLPGZEF-UHFFFAOYSA-N 289.375 3.505 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccc2c(=O)[nH]ccc2c1 789069765 AYVFKGYZXWXKIN-GXTWGEPZSA-N 283.375 3.752 30 20 CHED CC(C)N(C)c1ccc(/C=C2\Oc3ccccc3C2=O)cn1 790220680 UIQFBVMFCVIQMI-YBEGLDIGSA-N 294.354 3.542 30 20 CHED O=C(/C=C\c1ccsc1Cl)c1cc(O)cc(O)c1 790225241 MTVFZVDRNLFWCD-UPHRSURJSA-N 280.732 3.709 30 20 CHED CCCCCCCCOc1ccc(N(C)C(N)=O)cc1 790502655 OHVSXGIYODOINT-UHFFFAOYSA-N 278.396 3.941 30 20 CHED O=[N+]([O-])c1cc(NN=C2CCC3(CC2)CC3)ccc1F 792640730 DJOMQQDRPZRAKT-UHFFFAOYSA-N 277.299 3.856 30 20 CHED COc1ccc(C(C)=NN[C@@H](C)C(C)(C)C)cc1F 793113660 BPJZCKUNPUZKOF-NSHDSACASA-N 266.360 3.583 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(F)cc1[N+](=O)[O-] 793160982 YQTUVSCJVCBEFR-SECBINFHSA-N 268.288 3.521 30 20 CHED CSCCON=Cc1c(C)cc(Cl)cc1C 794574758 OHLCLAZLDWKUCB-UHFFFAOYSA-N 257.786 3.670 30 20 CHED COc1cccc2cc(/C=C/C(=O)c3ccnc(F)c3)oc12 794721096 WMTKBAWRFNAMEI-AATRIKPKSA-N 297.285 3.872 30 20 CHED Oc1cccc(/C=N\[C@H]2CCCc3ccc(F)cc32)c1O 794832531 JCRVDJBREDPPPD-HNIBHBHRSA-N 285.318 3.733 30 20 CHED N#Cc1cccc(NN=C/C=C\c2ccc(F)c(F)c2)c1 794887402 UTLQBAJBDJEALC-SPOXFQEKSA-N 283.281 3.948 30 20 CHED COCCN(C)N=Cc1ccc(-c2ccc(C)cc2)s1 794963136 LRHKVPBMUIVMGB-UHFFFAOYSA-N 288.416 3.636 30 20 CHED CC(C)(CC(=O)NCc1ccc(C#N)cn1)C1CCCCC1 795296517 GPZGKISGLMFDTK-UHFFFAOYSA-N 299.418 3.566 30 20 CHED Cc1nc2c(C(=O)O[C@H](C#N)C3CCCCC3)cccc2o1 795699114 SMFCZWWMSZBZGZ-OAHLLOKOSA-N 298.342 3.766 30 20 CHED CC[C@H](CC#N)OC(=O)c1c(-c2ccccc2C)noc1C 796893562 RQVLKOLIFUDBRU-CYBMUJFWSA-N 298.342 3.808 30 20 CHED C#C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 799047368 WFFHYXMEVRVUGF-GOSISDBHSA-N 291.394 3.593 30 20 CHED COc1ccccc1CON=C1CSCc2ccccc21 799118790 VDCPDTNASCHHMS-UHFFFAOYSA-N 299.395 3.863 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H](C(C)C)CC2)cc1C#N 799336917 ZKJPDICQMHLMDA-OAHLLOKOSA-N 284.403 3.765 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@H](C)c1cccs1 799442538 OUSGQIVZOANDLT-NSHDSACASA-N 285.368 3.891 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1c(C)noc1C1CC1 799444098 IUVZCDMACCTOSK-UHFFFAOYSA-N 296.326 3.514 30 20 CHED CCCC[C@H](C)C(=O)Oc1ccc(C#N)cc1OCC 799860725 JIFITOSEUSICAN-LBPRGKRZSA-N 275.348 3.689 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2nc3cc(F)c(F)cc3[nH]2)C1 800810519 SQHVAFRKZGRXLG-RKDXNWHRSA-N 278.306 3.675 30 20 CHED C=C(C)CCOC(=O)c1c(F)cccc1SC 803518255 FDBOVEBYMRABAW-UHFFFAOYSA-N 254.326 3.671 30 20 CHED N#Cc1sc(N[C@@H]2CCc3cc(F)ccc32)nc1Cl 804372643 VSDKRELWDROFAQ-SNVBAGLBSA-N 293.754 3.907 30 20 CHED C#C[C@@H](NC(=O)C1CC(C)(C)C1)c1ccc(Cl)cc1F 804423502 QPJJHLSJCDLURK-CQSZACIVSA-N 293.769 3.706 30 20 CHED CC(C)c1cnc(COC(=O)CCCCCC#N)s1 805914347 HXRLRMDTELIKAC-UHFFFAOYSA-N 280.393 3.784 30 20 CHED Cc1nc2c(C(=O)OCC(C)(C)CCC#N)cccc2o1 805948762 INUHNESXFZQOMR-UHFFFAOYSA-N 286.331 3.623 30 20 CHED COCC(C)(C)CCC/N=C\c1cc(Cl)ccc1O 806550977 PDHFJSUKUKDHJR-YVLHZVERSA-N 283.799 3.917 30 20 CHED O=C1/C(=C/c2ccsc2)Cc2nc(Cl)ccc21 806579808 SRBLXQVJBSIRKL-WEVVVXLNSA-N 261.733 3.619 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)C(C)(C)C 807884138 VDYLMTFGHINWLW-ONGXEEELSA-N 283.824 3.669 30 20 CHED CC(=NNc1ccccc1)c1cc2c(C)nn(C)c2s1 807942091 ICEFGEAUCFJDEH-UHFFFAOYSA-N 284.388 3.779 30 20 CHED C(=NNc1nccnc1C1CCC1)C1Cc2ccccc2C1 807991391 LCKMWPGNYNEPMY-UHFFFAOYSA-N 292.386 3.557 30 20 CHED CCCC[C@H](C)[C@H](C)NCc1ccc(OCC#N)cc1 808705636 MYMORDUGSOKENF-GJZGRUSLSA-N 274.408 3.893 30 20 CHED C#Cc1ccc(CNc2ccc(OCC)c(OC)c2)cc1 809598818 VCIGGVHFVSDYLK-UHFFFAOYSA-N 281.355 3.687 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(F)cccc1SCC 810332251 ZQZGAXXJIWRPLW-LLVKDONJSA-N 294.395 3.861 30 20 CHED C=CCCCCOC(=O)C1(c2cccc(OC)c2)CC1 811010184 MNJOKLIHLAVKFK-UHFFFAOYSA-N 274.360 3.626 30 20 CHED C=CCCCCOC(=O)c1ccc(Br)o1 811010207 MZPFOBPRFURPRF-UHFFFAOYSA-N 273.126 3.555 30 20 CHED COCCCON=C/C(C)=C/c1ccccc1OC(F)F 811650374 WWBPXTGFEUSAER-ULPVHAHSSA-N 299.317 3.730 30 20 CHED COc1ccc(F)cc1C=NNc1ccc(F)cc1C 812227755 PMNMIIOCLBPOSD-UHFFFAOYSA-N 276.286 3.728 30 20 CHED Cc1ccc(C)c2[nH]c(-c3ccc(OCC#N)cc3)nc12 814184999 PZICBJARJYUOIE-UHFFFAOYSA-N 277.327 3.749 30 20 CHED CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C#N)o1 814319387 AIFHLHRMADLILY-UHFFFAOYSA-N 294.354 3.868 30 20 CHED Cc1nc2ccccc2c(=O)n1N=C[C@@H](C)C1CCCCC1 814701367 WJGTUXROHLSKLS-CYBMUJFWSA-N 297.402 3.755 30 20 CHED Clc1ccc(CNN=Cc2ccc3oncc3c2)cc1 814873167 PKYKNQOWXDKILY-UHFFFAOYSA-N 285.734 3.605 30 20 CHED COc1ccc(CC(C)=NOC2CCCC2)c(C)c1OC 814893794 BCEWVBALDTUQOV-UHFFFAOYSA-N 291.391 3.890 30 20 CHED C(=NNc1nnc(-c2ccccc2)s1)c1ccsc1 814946443 IYDRPNWFVVFEGN-UHFFFAOYSA-N 286.385 3.713 30 20 CHED CCCOc1cccc(C=NN[C@H](C)c2ccncc2)c1 819815911 UWKYYTBCRJPCHE-CQSZACIVSA-N 283.375 3.555 30 20 CHED C[C@H](NN=C1CCC[C@@H]1CCCF)c1ccncc1 819817656 DALSOFVJJHCDIL-GXTWGEPZSA-N 263.360 3.638 30 20 CHED CC1(C)CC[C@H](OC(=O)c2c(F)cc(C#N)cc2F)C1 820433945 FDVPNUSURBJXPY-JTQLQIEISA-N 279.286 3.572 30 20 CHED N#CCC1CCN(C(=O)/C(F)=C\C2CCCCC2)CC1 828167114 QWVWEBANSQGLFZ-NTCAYCPXSA-N 278.371 3.572 30 20 CHED CC(C)C[C@@H](C)OC(=O)NC1(c2cccc(C#N)c2)CC1 830924262 XDZLGOQJDQAXJR-CYBMUJFWSA-N 286.375 3.708 30 20 CHED CCOc1ccc(NN=C(CC)c2ccncc2)cc1 834982733 BBCCJYJRITXGRG-UHFFFAOYSA-N 269.348 3.707 30 20 CHED CC(=NNc1c(C)cccc1Cl)c1cc(C)n(C)n1 835011794 UJJCMTRZZJDSCX-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CC[C@H](CC#N)OC(=O)[C@H]1CCC[C@H]1c1ccccc1 835340276 MBPLEZKOBKXSTJ-PMPSAXMXSA-N 271.360 3.806 30 20 CHED C=CCC(F)(F)C(=O)OCCc1cccc2ncccc12 835661880 LIVDUBFCUKGUCS-UHFFFAOYSA-N 291.297 3.532 30 20 CHED CS[C@H](C)CCOC(=O)C[C@H](CC#N)c1ccccc1 835672652 VFKPGIQOHHJDHP-HIFRSBDPSA-N 291.416 3.759 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(Cl)c1 839060840 YXYKDXVVANZWOI-NEPJUHHUSA-N 277.751 3.888 30 20 CHED CC1(C)CC[C@@H](ON=C(c2ccccc2)C(F)(F)F)C1=O 840436173 LVZIABXPBNVQTQ-LLVKDONJSA-N 299.292 3.727 30 20 CHED CN(CCC#N)c1ccc(CN2CC[C@@H](C3CCC3)C2)cc1 840978162 MOYDWOSOFQHEHK-GOSISDBHSA-N 297.446 3.658 30 20 CHED Clc1cccc(NN=CC2CCOCC2)c1Cl 841645822 UBQPSXFCHRYLQQ-UHFFFAOYSA-N 273.163 3.818 30 20 CHED C#CC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 843428846 PAJZMONQUHALKU-UHFFFAOYSA-N 282.431 3.522 30 20 CHED C#CCCCN[C@H](C)c1ccc2cc(OC)c(OC)cc2c1 850437958 BGMYBQXDDDLMSN-CQSZACIVSA-N 297.398 3.921 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1occ2c1CCOC2 851143593 MQTWCCCRKYFCTO-IUODEOHRSA-N 290.359 3.644 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCc2cc(F)ccc21 851201723 BPJFHWBSWYORMA-IAQYHMDHSA-N 289.350 3.727 30 20 CHED CC(=NN(C)C[C@H](C)O)[C@H](C)c1ccc(CC(C)C)cc1 853357684 XVSYXUTVGGDKPO-GJZGRUSLSA-N 290.451 3.677 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)OCC1(C#N)CC1 860331206 ZUPYFVXAHMPSOB-UHFFFAOYSA-N 281.311 3.716 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)c1cccc(C#N)c1 860441219 MEQAOYSHVNGGRY-KCPJHIHWSA-N 281.311 3.559 30 20 CHED Cc1cccc(NN=Cc2cc(C)n(C3CC3)c2C)n1 863162204 XPDIVRFHTBIWJH-UHFFFAOYSA-N 268.364 3.589 30 20 CHED C=CCN(CCC#N)C(=O)CCc1cccc2ccccc12 868511823 KZJOPBBNUZAZHA-UHFFFAOYSA-N 292.382 3.701 30 20 CHED C=CCC1(NCc2nc(Cl)cs2)CCCC1 877631092 FAMQNTFHIGIAPN-UHFFFAOYSA-N 256.802 3.775 30 20 CHED C=CCN(C(=O)Nc1nsc2ccccc12)C(C)C 880021194 AYKZPZACJDHGPH-UHFFFAOYSA-N 275.377 3.725 30 20 CHED N#C[C@H]1CCCN(c2nc3cc(Cl)cc(Cl)c3o2)C1 895650211 HZCXVNVFYNZKPW-MRVPVSSYSA-N 296.157 3.875 30 20 CHED C=C1CCC(c2nc(-c3ccc4nc[nH]c4c3)no2)CC1 896097568 UGAIFXCDWMHXPE-UHFFFAOYSA-N 280.331 3.827 30 20 CHED C#CCCCCCc1nc(CCOCc2ccccc2)no1 896524535 PPSMLZWYIHBFTM-UHFFFAOYSA-N 298.386 3.565 30 20 CHED N#CC1(CCCC[S@@](=O)c2cccs2)CCC1 899285712 JBZPZCBGLNWKDO-QGZVFWFLSA-N 267.419 3.720 30 20 CHED O=C(/C=C/c1cnn(CC2CCC2)c1)c1cccs1 899335693 IAXWTGDGRMBVDX-VOTSOKGWSA-N 272.373 3.641 30 20 CHED C=CCCC[C@H](NC[C@@H]1CCC[C@@H](CC)C1)C(=O)O 900069355 YOTCMSQKKYDXJS-KFWWJZLASA-N 267.413 3.602 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1cc2n(n1)CCC2 901560940 KABONJHYILRDPG-MDZDMXLPSA-N 296.370 3.513 30 20 CHED C=CCCC[C@H](N)c1nc([C@H]2CCc3ccccc32)no1 904602459 PHVMBEASXWJVFO-GJZGRUSLSA-N 283.375 3.504 30 20 CHED CO[C@@H](C#N)c1ccc(-c2ccc(C(C)(C)O)cc2)cc1 904771121 JLRVPWBRHCGQOS-KRWDZBQOSA-N 281.355 3.792 30 20 CHED N#CC1(CCCCOC(=O)c2ccnc(Cl)c2)CCC1 908818755 VTYSKKOUOYONSR-UHFFFAOYSA-N 292.766 3.756 30 20 CHED CSCC(C)(C)C(=O)OCCCCC1(C#N)CCC1 909290107 VSNUPKOVGYGXSC-UHFFFAOYSA-N 283.437 3.783 30 20 CHED C(=NNc1cnccn1)C(c1ccccc1)c1ccccc1 912958953 QBAUBAGYSXCBGK-UHFFFAOYSA-N 288.354 3.706 30 20 CHED C=CCOc1cccc(CN[C@@H](C)Cc2ccco2)c1 914796993 CWRXEAJCMSXZMW-AWEZNQCLSA-N 271.360 3.565 30 20 CHED COc1ccc(C=NNc2ncccc2C(F)(F)F)cc1 915051567 ZYJXMVREEPWMBH-UHFFFAOYSA-N 295.264 3.555 30 20 CHED COc1cccc(C=NNc2ccccc2Cl)c1OC 916262538 PUVTYJHSYUALCY-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CC(=O)c1ccc(-c2ccc(C(=O)OCCCC#N)o2)cc1 916606473 CXUKAJNOZWESLS-UHFFFAOYSA-N 297.310 3.610 30 20 CHED N#CC1(CSCC(=O)OCc2ccccc2)CCCC1 917605586 HCXUVKRBCWWLAS-UHFFFAOYSA-N 289.400 3.547 30 20 CHED Cc1ccc(NC(=S)NN=C/C=C\c2ccco2)cc1C 920363009 OTQZOFYOYPZKRE-FDTFQMGPSA-N 299.399 3.882 30 20 CHED CC(=NNc1cccc(F)c1)c1nc2ccccc2n1C 920384392 UQRAVLIEVDGVTL-UHFFFAOYSA-N 282.322 3.549 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccccc2F)c1C 920927820 RDYPXGHGOCIJDE-KTKRTIGZSA-N 272.323 3.555 30 20 CHED COc1ccc(O)c(/C=N\CCc2ccccc2Cl)c1 921261576 RHCVWFXOIUQWET-WQRHYEAKSA-N 289.762 3.716 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2cccnc2Cl)no1 924238736 OLHIUFYFSKBFCZ-UHFFFAOYSA-N 277.755 3.563 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 926120152 UVPAJZZHMGZNSX-OAGGEKHMSA-N 291.483 3.557 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccc(OC)cc1)C1CC1 929408180 MAGPJXDURNUFQY-CQSZACIVSA-N 287.403 3.789 30 20 CHED CCSc1ccccc1CN1CCC(C#N)CC1 929416917 VOVOHCKHRRKCPG-UHFFFAOYSA-N 260.406 3.534 30 20 CHED N#CCc1ccc(NC(=O)N(CC2CC2)C2CCC2)cc1 929427458 JIBCYYHXAZNHLS-UHFFFAOYSA-N 283.375 3.549 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(-c2cnc[nH]2)cc1 929455706 LOIDMKGRKAKUMA-LBPRGKRZSA-N 269.348 3.618 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(Cl)ccc1NC(C)=O 931141280 UFEIBYJPQZJFFZ-NSHDSACASA-N 294.782 3.839 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H]1c1cccc(F)c1 933773771 QSJXBQFWPJYFRB-SWLSCSKDSA-N 261.340 3.701 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 935212939 UWXWRQGDVBCHCF-PBFPGSCMSA-N 293.382 3.620 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCC2(CCCC2)C1 935554091 RFNCJOKYZPZNAW-UHFFFAOYSA-N 282.387 3.663 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c[nH]nc1-c1ccccc1F 935706351 QZEDUYSHUZYJDL-NSHDSACASA-N 287.338 3.757 30 20 CHED CCC[C@H](NC(=O)c1csc(C#N)c1)c1ccccc1 1117778035 LLZRZALJTSZZCT-HNNXBMFYSA-N 284.384 3.891 30 20 CHED N#CC1(CC(=O)NCc2ccc3c(c2)CCC3)CCCCC1 1118554844 ONIBFCXWOIUDLC-UHFFFAOYSA-N 296.414 3.656 30 20 CHED Cc1cc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)ncc1C#N 1130289524 KOFXWYYURUQYBV-SHTZXODSSA-N 297.402 3.807 30 20 CHED N#CCOc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)cc1 1137120542 SJSYDRPBBPEYBH-SJORKVTESA-N 284.403 3.601 30 20 CHED CC(C)[C@H](CN=c1cc[nH]c(C#N)c1)c1ccc(Cl)cc1 1163242512 PWCATZSILMFLQM-KRWDZBQOSA-N 299.805 3.880 30 20 CHED C[C@H]1CCCC[C@H]1CN1CCc2ccc(C#N)cc21 1168926226 YWZJDLLJCLJMLJ-BBRMVZONSA-N 254.377 3.747 30 20 CHED Cc1nsc(N2CC(C)(C)c3ccccc32)c1C#N 1187234041 OIMDTZTVJUASST-UHFFFAOYSA-N 269.373 3.753 30 20 CHED CC[C@@H]1CCC[C@@H](Nc2cc(C#N)ccc2OC)C1 1205346758 FZRKBDVJHYTYLC-TZMCWYRMSA-N 258.365 3.948 30 20 CHED CC(C)[C@H]1CC(=NNc2ccccc2Cl)CCO1 1254216387 RGVCUVFMIGNSCN-CQSZACIVSA-N 266.772 3.943 30 20 CHED Cc1cccc(Cl)c1COC(=O)c1ccc(C#N)cc1 1273608014 CNHORYRFAZARDO-UHFFFAOYSA-N 285.730 3.877 30 20 CHED COc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)ccc1F 1320165909 UZUDFDSPGSFRJD-XVNBXDOJSA-N 298.313 3.761 30 20 CHED C=C(C)CNC(=O)Nc1ccc(C)c(Cl)c1Cl 1320781182 AUAJCPKBXDKOCA-UHFFFAOYSA-N 273.163 3.999 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=S)NCC1CCC1 1321229089 QYRIPUPKFDCULA-UHFFFAOYSA-N 288.460 3.739 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 1321884285 SFIHDIPYIXLBHG-LSDHHAIUSA-N 290.794 3.598 30 20 CHED CCC(=Cc1nnc(COc2ccc(C#N)cc2)o1)CC 1322078031 KXCHWPVDPNSQPK-UHFFFAOYSA-N 283.331 3.724 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(C)cc(Cl)cc1C 1323048533 LDFOLCVJMDNEBA-CYBMUJFWSA-N 278.783 3.880 30 20 CHED N#CC1(C(=O)NCc2cccc(C(F)F)c2)CCCCC1 1325985629 POESQPADWQIYGP-UHFFFAOYSA-N 292.329 3.714 30 20 CHED C[C@H]1CCC[C@H]1Cc1nnc(-c2cccc(C#N)c2)o1 1330098791 HMXFLLFPKACTNZ-AAEUAGOBSA-N 267.332 3.587 30 20 CHED CC(C)(C)C#Cc1nnc(CCCc2ccccc2)o1 1330099466 KYNNCPJEOKOTOZ-UHFFFAOYSA-N 268.360 3.643 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 1331314362 DZFMADNFOZOFKP-CYBMUJFWSA-N 284.359 3.662 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(F)c3cccnc23)C1 1337474958 MQTCZUBOUFIJAY-NEPJUHHUSA-N 298.317 3.613 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C 1337503443 RGWLBHISWRMFEK-ZDUSSCGKSA-N 291.391 3.546 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)O[C@@H]1CC[C@H](C#N)C1 1342690792 DNCHBIVYLPNWJM-IJEWVQPXSA-N 296.370 3.513 30 20 CHED CC(C)c1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)cn1 1348882891 QQGZPNGLZCJZFC-UHFFFAOYSA-N 290.326 3.794 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cccc(C(F)(F)F)n1 1350975288 IPZTVTGWINOZGJ-SNVBAGLBSA-N 285.313 3.518 30 20 CHED CC[C@H](F)C(=O)Nc1sc2c(c1C#N)C[C@H](C)C[C@@H]2C 1460376261 GUMMABXYWBECSR-PTRXPTGYSA-N 294.395 3.992 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1cc(F)cc(C#N)c1 1476982909 SUXXGGBJAFFGKX-CHWSQXEVSA-N 289.354 3.645 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cn1 1528631688 HNWBGOOTCXUFJB-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CCN(C(=O)c1ccc(C#N)o1)c1ccc(Cl)c(F)c1 1530329988 CXPPCBLTPBKPGN-UHFFFAOYSA-N 292.697 3.610 30 20 CHED N#Cc1cc(NC(=O)c2cccc3[nH]ccc23)c(F)cc1F 1532511632 QLBVDFPULZSOAJ-UHFFFAOYSA-N 297.264 3.570 30 20 CHED CC1(C)C(CNc2ccc(Cl)c(C#N)n2)C1(C)C 1559175973 KTUOWKWVHMYWGZ-UHFFFAOYSA-N 263.772 3.701 30 20 CHED CCC(C)(C)C1CCC(CC(=O)N2CC(C)(C#N)C2)CC1 1568395982 RLMURYSXKHIJIG-UHFFFAOYSA-N 290.451 3.991 30 20 CHED C=CCCCC(=O)O[C@H]1CCCc2cc(C(=O)O)ccc21 1573357740 RQWQVILYEGTNKB-HNNXBMFYSA-N 288.343 3.662 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cnc3ccsc3c2)c1 1588159769 WTFZOBVGRVAXKR-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C=CCC1(c2nc(-c3ccc(C(=O)O)cc3)no2)CCCC1 1588771031 MKTCIRKRYSHQTN-UHFFFAOYSA-N 298.342 3.823 30 20 CHED CC(C)(C#N)CCCNc1cccc(Cl)c1C(=O)O 1589554754 MPUZMEPDKNBRHM-UHFFFAOYSA-N 280.755 3.780 30 20 CHED CC(C)CC(C)(C)C(=O)Nc1cc(F)cc(C#N)c1 1596856347 PYKWVMMYIQQDSH-UHFFFAOYSA-N 262.328 3.708 30 20 CHED CCc1ccc(/C=C/C(=O)c2cc(C(=O)O)cs2)cc1 1597519800 BKLVXELUUYJSRX-BQYQJAHWSA-N 286.352 3.905 30 20 CHED C=CC[C@H](C(=O)O)N1CCC(c2cccc(Cl)c2)CC1 1602834740 CBQGNUFVSFYYDT-OAHLLOKOSA-N 293.794 3.549 30 20 CHED CN(c1ccc(C#N)cn1)[C@@H]1CCC[C@H]1C(C)(C)C 1612504839 KSOBXKLSVQZRAU-ZIAGYGMSSA-N 257.381 3.604 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H]1CCC(C)C 1644933050 OFCZXLXHMODCPU-KRWDZBQOSA-N 286.419 3.967 30 20 CHED Cc1cc(=N[C@@H](C)CC(C)(C)c2ccccc2)c(C#N)c[nH]1 1651448511 OLNWSLVEPKTRNQ-HNNXBMFYSA-N 293.414 3.852 30 20 CHED N#Cc1cccc(SCc2ccc(C#N)s2)c1 1651840556 TVBJZVSOTHQMQC-UHFFFAOYSA-N 256.355 3.784 30 20 CHED Cc1ccc(C)c(CN2CCc3c(C#N)cccc32)c1 1654793725 WKVWCERFEHNQQO-UHFFFAOYSA-N 262.356 3.738 30 20 CHED CCc1ccc(CN(c2ncc(C#N)cc2F)C2CC2)cc1 1654969396 PWEQNWNLDXHDPP-UHFFFAOYSA-N 295.361 3.824 30 20 CHED Cc1cc(CN2CCC[C@@H](C(C)C)C2)ccc1C#N 1664338134 QVMVFAJOSXCIGL-QGZVFWFLSA-N 256.393 3.735 30 20 CHED CCC(=NOC[C@H](C)CC)c1cc(C(=O)O)ccc1F 1776077970 QPVNPNRBYJEVHA-SNVBAGLBSA-N 281.327 3.701 30 20 CHED C[C@H]1Cc2ccccc2C(=O)/C1=C\c1cccc(C(=O)O)c1 1776665874 HLGGVRDPWJUUGA-UEMWTREESA-N 292.334 3.843 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 7712534 DPBKQBSZCOOPBB-FPYGCLRLSA-N 288.249 3.559 30 20 CHED C=C(C)CNC(=S)N(Cc1ccco1)c1ccccc1 16703334 LWKQRNPURNDFNO-UHFFFAOYSA-N 286.400 3.737 30 20 CHED CC[C@H](C(=O)Oc1ccc(C#N)cc1OC)c1ccccc1 22368486 YFCBCLLKEPJIMN-HNNXBMFYSA-N 295.338 3.666 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccccc2)cc1OC 32271062 WQRJZBDIIYXRSP-LUAWRHEFSA-N 282.339 3.990 30 20 CHED Cc1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)c(C)c1 37131429 IWVGGWPFHCJXSQ-UHFFFAOYSA-N 281.315 3.695 30 20 CHED N#CCSCC(=O)Oc1ccc(Oc2ccccc2)cc1 41751344 RWAJKWDJKGCXKT-UHFFFAOYSA-N 299.351 3.641 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 44814536 BFFRDSKLDKHWNU-ZETCQYMHSA-N 290.672 3.847 30 20 CHED N#C[C@@H](C(=O)c1cc2c(s1)CCCC2)c1ccccn1 46705626 PZQMNQMEBVFVIK-GFCCVEGCSA-N 282.368 3.512 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(Cl)s2)n1 48520368 IKYFPIKFTZUJKT-SSDOTTSWSA-N 282.777 3.657 30 20 CHED N#CCCCOc1cccc(NC(=O)c2ccccc2)c1 55568388 YCRSHLFBPPPZOF-UHFFFAOYSA-N 280.327 3.621 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 61889368 LIZWVRVKNWTVGT-PELKAZGASA-N 298.173 3.807 30 20 CHED Cc1cccc(C(C)(C)CNCc2ccc(C#N)cc2)c1 63320084 ZYALBADEOCYWFO-UHFFFAOYSA-N 278.399 3.934 30 20 CHED CC(C)Oc1cccc(CC(=O)Nc2cccc(C#N)c2)c1 66014083 NUEZNUVVBXJHON-UHFFFAOYSA-N 294.354 3.527 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1C 69357137 GAMRCIDGIHYGDZ-AWEZNQCLSA-N 291.391 3.702 30 20 CHED CN(CCC#N)c1ccc(CNC2CCCCCC2)cc1 72659241 SPZUVRIJMKFKHV-UHFFFAOYSA-N 285.435 3.849 30 20 CHED N#Cc1ccc(SCc2ccc(F)cc2C#N)cc1 77566561 OSPPGTHNIUXQDP-UHFFFAOYSA-N 268.316 3.861 30 20 CHED N#Cc1ccc(NCc2cccc(F)c2Cl)cc1 83442303 MWSYZOBWQKGUGX-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)c1cc2ccccc2o1 84072098 HQUMCOACLSUOME-SNVBAGLBSA-N 296.351 3.857 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N[C@@H](C#N)C(C)(C)C 85439948 DLSIZZRPLWDHNF-OCCSQVGLSA-N 264.413 3.647 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2)cc1 88305145 SHTOEIFUHFVHRJ-AATRIKPKSA-N 269.250 3.733 30 20 CHED C#CCCCCN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 90397966 MNEQLQNOGDNWMF-CABCVRRESA-N 259.393 3.580 30 20 CHED C=C(C)COCCN[C@H]1CCc2cc(Cl)ccc21 90450870 BQRXAJDUVCJZTD-HNNXBMFYSA-N 265.784 3.510 30 20 CHED CC(C)Oc1cccc([C@H](C)Nc2cnccc2C#N)c1 94136855 FFGPMDXPNLBMRT-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C=CCCC(=O)N1CC[C@@H](C)Sc2ccccc21 102222767 DGAYIKVFHFJKKN-GFCCVEGCSA-N 261.390 3.870 30 20 CHED Cc1ccc(C/N=C(/N)Nc2ccc(C)c(C)c2)s1 104162222 BVZHUEDVLKUEPA-UHFFFAOYSA-N 273.405 3.600 30 20 CHED CC[C@H](C#N)NC(=O)CC1(CCc2ccccc2)CCCC1 112889608 JILSAVKJGJUOLT-QGZVFWFLSA-N 298.430 3.988 30 20 CHED C=CCSCc1cccc(C(=O)NCc2ccco2)c1 114756738 PVVACOQTMRVXNW-UHFFFAOYSA-N 287.384 3.629 30 20 CHED C=CC1CCN(C(=O)c2cc(C)ccc2N2CCCC2)CC1 116644844 KOWHDUYGIJAVEW-UHFFFAOYSA-N 298.430 3.633 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2cc(C)ccc2nc1C 116861436 LGVYJUKQBQYBNX-GFCCVEGCSA-N 268.360 3.546 30 20 CHED CCCC[C@@H](CC)CC(=O)N(CC)C[C@@H](C)C#N 117239281 JNHRBMRYBGRJHT-UONOGXRCSA-N 252.402 3.601 30 20 CHED C=CC1CCN([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 119682394 AXYCULPWARYLPP-AWEZNQCLSA-N 297.402 3.619 30 20 CHED Cc1cccc([C@@H](C)OC(=O)COc2ccc(C#N)cc2)c1 121729486 ULULJRBWOLYXFQ-CQSZACIVSA-N 295.338 3.550 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1cccc(C)c1 121883140 JMKVSUFPWVVBEB-UONOGXRCSA-N 262.349 3.580 30 20 CHED CCOc1cc(C#N)ccc1OCc1cc(F)ccc1C#N 122063345 ABMOCUBZEBHTTL-UHFFFAOYSA-N 296.301 3.547 30 20 CHED CCCCCCCCCC(=O)N1CCC(C)(O)CC1 122084365 CTTNKLYRMBHWSB-UHFFFAOYSA-N 269.429 3.501 30 20 CHED C=C(C)CNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 123076904 DFIUSSFDBYGSOE-JOHJCKIYSA-N 261.409 3.675 30 20 CHED CCN(C(=O)C1=CCCCC1)[C@H](C)c1ccc(C#N)cc1 126064802 YPEJFVYOQBPAJN-CQSZACIVSA-N 282.387 3.968 30 20 CHED N#CCOc1cccc(NC(=O)c2sccc2Cl)c1 126468454 XTSMSFHLKWXGKP-UHFFFAOYSA-N 292.747 3.556 30 20 CHED CCO[C@H]1C[C@H](N(C)CCCCC#N)C12CCCCC2 127407854 PVSAOOWIWVSRRF-HOTGVXAUSA-N 278.440 3.740 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2)cc(C)c1F 128762977 PWPNAKKAMNXHKI-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1Cl 129568684 XRINFFLGPMCOHK-MNOVXSKESA-N 279.746 3.573 30 20 CHED CC(C)OC1CCC(Nc2cccc(F)c2C#N)CC1 130068143 YCMNAFMREKPZQD-UHFFFAOYSA-N 276.355 3.845 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(F)cc1C#N 130094749 OYYCOGCUEMXRHH-QGZVFWFLSA-N 283.350 3.675 30 20 CHED C[C@@H](OC(=O)c1cncc(-c2ccccc2)c1)C(C)(C)C#N 130539143 UJZBTQMOJRPYPX-CYBMUJFWSA-N 294.354 3.844 30 20 CHED C=CCC[C@@H](C)Nc1ccc(C)cc1OCCOC 130589324 VQYXWCLVSGZFIO-CQSZACIVSA-N 263.381 3.787 30 20 CHED C[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 131262057 KJFFOLHQCYIOGC-GFCCVEGCSA-N 281.315 3.682 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(C(C)C)nc1)c1ccccn1 131831024 VPYKAZGQKAJVTK-QGZVFWFLSA-N 294.354 3.521 30 20 CHED C=CC1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 133313616 JEPWJTALPNBFFA-CYBMUJFWSA-N 291.822 3.943 30 20 CHED Cc1oc2ccccc2c1/C=C1/CCc2c(cnn2C)C1=O 134389725 SKSVRKTVMJQKNR-XFXZXTDPSA-N 292.338 3.687 30 20 CHED CC(C)(C(=O)Nc1ccc(C#N)cn1)c1cccc(Cl)c1 134699577 QBKANPXOYRHPQZ-UHFFFAOYSA-N 299.761 3.523 30 20 CHED C=CCC[C@@H](N[C@@H](C)Cn1cccn1)c1ccccc1 138899649 FRSACZMDJIBXQG-DOTOQJQBSA-N 269.392 3.569 30 20 CHED C[C@@]1(CNc2ccc(C#N)cc2C(F)(F)F)CCCO1 152552606 ZIUHGWAFALTNFI-ZDUSSCGKSA-N 284.281 3.558 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cc(C)ccc1C 155131630 LCHJTXSGXQMBFC-HNNXBMFYSA-N 274.408 3.528 30 20 CHED C=C(Cl)CNCc1cc(F)cc(C(F)(F)F)c1 158104621 JQVSUOFJSAMLQI-UHFFFAOYSA-N 267.653 3.687 30 20 CHED C[C@H](c1cccc(O)c1)N(C)Cc1cc(F)ccc1C#N 160314020 DWPPPVIIWTUSQB-GFCCVEGCSA-N 284.334 3.596 30 20 CHED CCC(=CC(=O)Nc1cc(C#N)cn1C(C)(C)C)CC 160328094 SOOWWWVTMUYRNN-UHFFFAOYSA-N 273.380 3.800 30 20 CHED CCCCOCCNc1ccc(C(F)(F)F)c(C#N)c1 163949201 DHURGLNTEXFOQD-UHFFFAOYSA-N 286.297 3.806 30 20 CHED N#Cc1cc(NC[C@@H]2CCC[C@H](O)C2)ccc1C(F)(F)F 166866499 PDSQSSKFCOSJQS-MFKMUULPSA-N 298.308 3.540 30 20 CHED C=CCCC(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1 171426787 KHJHMIUVLWFWRM-UHFFFAOYSA-N 289.766 3.739 30 20 CHED C=CCCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 172795048 AXFMRKAUMZOVST-IUODEOHRSA-N 261.340 3.701 30 20 CHED CCCCc1nc(CNc2ccc(C#N)cc2)cs1 172848450 MPBFWKQHCXGVPW-UHFFFAOYSA-N 271.389 3.969 30 20 CHED C=CCCCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 175748024 GNXCJJGNABVPBP-UHFFFAOYSA-N 282.265 3.872 30 20 CHED C[C@H](OC(=O)Cc1ccc(F)cc1)c1ccc(C#N)cc1 175796278 YFFWUSKCWKQCKD-LBPRGKRZSA-N 283.302 3.544 30 20 CHED C[C@@H](CC#N)NC(=O)CCCc1csc2ccccc12 176123837 KYSBGYXIVBLWPO-LBPRGKRZSA-N 286.400 3.642 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)c1cc2ccccc2o1 176415270 GVIMVMRSTNSFHW-VXGBXAGGSA-N 257.333 3.617 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1cc(C#N)cs1 176457890 OFGJVSFQNGWMLB-UHFFFAOYSA-N 299.351 3.576 30 20 CHED N#CCCCCN[C@H]1CCC[C@H]1Cc1ccccc1 178646853 OGFAYZSIGPWEMN-IRXDYDNUSA-N 256.393 3.681 30 20 CHED C=CCC[C@@H](NCc1cccc(OC)n1)c1ccccc1 178759572 FUUGYQHKKILATO-QGZVFWFLSA-N 282.387 3.887 30 20 CHED C[C@H](NCc1ccc(F)cc1C#N)c1ccc(F)c(F)c1 181637648 WBHCYGRODYNKFA-JTQLQIEISA-N 290.288 3.826 30 20 CHED Cc1ccnn1-c1ccccc1NCc1cc(C#N)cs1 184306320 BRIHMHABEOMPPR-UHFFFAOYSA-N 294.383 3.726 30 20 CHED Cc1cnc([C@@H](C)NCC#Cc2cccc(Cl)c2)s1 184996199 JSLXTXXBBCRDDT-GFCCVEGCSA-N 290.819 3.807 30 20 CHED C#Cc1cccc(NCc2ccc(OC)c(COCC)c2)c1 185314962 HHPNVUCWHLDBMF-UHFFFAOYSA-N 295.382 3.825 30 20 CHED CC#CCCCC(=O)NCC(C)(C)c1ccccc1Cl 185455713 CIEXDPMGQNBXAR-UHFFFAOYSA-N 291.822 3.927 30 20 CHED C=C(C)[C@H](NC(=O)N1CCC[C@@H]1C)c1ccc(F)c(F)c1 185478301 FLYTZDQNRPJDKX-NHYWBVRUSA-N 294.345 3.776 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC2(c3cccc(F)c3)CC2)C1 185837596 HXWKGPMGLHMKKZ-CZUORRHYSA-N 272.367 3.529 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1sc2c(c1C#N)CCC2 186587495 RUVFXQQBYKNTEQ-QWRGUYRKSA-N 288.416 3.873 30 20 CHED CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cc(C#N)ccc1C 186704681 CUEDXOKYLJAJQD-WFASDCNBSA-N 271.364 3.519 30 20 CHED C=CCC[C@H](C(=O)Nc1cccc(CO)c1)c1ccccc1 189049402 QHSMCWJWWFDLRK-SFHVURJKSA-N 295.382 3.867 30 20 CHED C=CCC1(C(=O)N[C@H]2CCCc3sccc32)CCC1 190313044 ODMSWAWNVTYINQ-ZDUSSCGKSA-N 275.417 3.988 30 20 CHED Cn1cc(CN2CCC[C@H]2c2ccccc2Cl)cc1C#N 191230046 IFNLERQAOFFPDY-KRWDZBQOSA-N 299.805 3.887 30 20 CHED C#CCCCCN[C@H]1CCSc2ccc(OC)cc21 191534338 YHCIEMQUDQMZTN-HNNXBMFYSA-N 275.417 3.625 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc(OC(F)(F)F)cc2)C1 192626574 BXDBHWLMWUFMSS-STQMWFEESA-N 298.308 3.757 30 20 CHED Cc1cc(C)cc(N/C(N)=N/[C@@H]2C[C@H]2c2ccc(F)cc2)c1 193302360 UGYXSHKRBVTZQE-DLBZAZTESA-N 297.377 3.725 30 20 CHED CCO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 193523925 QHKIMZWOCALMFH-KXBFYZLASA-N 294.398 3.987 30 20 CHED C=CCOc1cccc(NC(=O)N(C)CCC(C)C)c1 193710289 SWPJJYYOTIPIQR-UHFFFAOYSA-N 276.380 3.761 30 20 CHED C[C@@H]1/C(=C/c2ccsc2)C(=O)c2c(O)ccc(F)c21 213220548 UDSNDMCCOYHLJM-NDVARNPJSA-N 274.316 3.976 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1c(F)cc(C#N)cc1F 226125609 RQYIBORLHAHVED-STQMWFEESA-N 282.359 3.923 30 20 CHED COCCC(C)(C)CNc1cc(Cl)ccc1C#N 230837082 XWXDIZSBMOAYOO-UHFFFAOYSA-N 266.772 3.686 30 20 CHED CC(C)[C@@H]1CCCN(c2nccc(C#N)c2Cl)CC1 232709712 KBYLAXZWHLGYCL-GFCCVEGCSA-N 277.799 3.869 30 20 CHED C[C@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)CC[C@H]1C 235330312 WRAGAWWYIQQRRE-VGMNWLOBSA-N 269.801 3.905 30 20 CHED C#CCOc1ccc(CN[C@H]2CCCc3ccccc32)cc1 236694232 IVLMGGLETGPAIU-FQEVSTJZSA-N 291.394 3.866 30 20 CHED C[C@@H](CNCc1cccc(C#N)c1)COCc1ccccc1 237372012 OPOHIIKYJLGIRK-INIZCTEOSA-N 294.398 3.501 30 20 CHED C[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@H]1c1ccccc1 246253867 XHQHNAKMKDLLTE-IAQYHMDHSA-N 283.762 3.804 30 20 CHED CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)C12CCC2 247065822 STXLCTGKZDSROH-KBRIMQKVSA-N 284.403 3.557 30 20 CHED CCn1cc(C(=O)/C=C\c2c(C)oc3ccccc23)cn1 255435986 NVDOGCXFYOIXFD-HJWRWDBZSA-N 280.327 3.854 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CCCc3cc(N)ccc32)n1 262295890 NUTVHMHNWCZATK-KRWDZBQOSA-N 292.386 3.642 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2sc(C)nc2C)cc1 263883187 XODCOEJYQUSBRA-UHFFFAOYSA-N 299.399 3.629 30 20 CHED CCCCCCCC(=O)NCCCc1nccs1 263919031 QQCCVKPAAPNMNU-UHFFFAOYSA-N 268.426 3.552 30 20 CHED CC(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N 264511955 IYLQTMMVEPBDRP-GFCCVEGCSA-N 276.405 3.923 30 20 CHED C#CC[C@@H](NC(=O)N(CCCC)C1CC1)c1ccccc1 270373164 UKRFTODCMVLGCS-QGZVFWFLSA-N 284.403 3.725 30 20 CHED Cc1coc(-c2cc(NC(=O)CC(C)(C)C#N)ccc2C)n1 278876230 ZYSUMLSKIALGOV-UHFFFAOYSA-N 297.358 3.837 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c(Cl)ccc(F)c1C 279223864 ODNIGOIABJYQFT-SNVBAGLBSA-N 285.746 3.707 30 20 CHED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](C)C(C)C 280725417 KOXSKXAKLURIJU-AWEZNQCLSA-N 286.419 3.994 30 20 CHED C=CC[C@@H](CC)NC1CCN(CCc2ccccc2)CC1 281690659 SAJNVOJRCIDEGY-GOSISDBHSA-N 286.463 3.638 30 20 CHED N#CCCCCN1CCN(CCCCC#N)c2ccccc21 287512858 UOJKYKLUBWDKAH-UHFFFAOYSA-N 296.418 3.701 30 20 CHED CC[C@H]1CN(C(=O)CCCC#N)CC[C@@H]1c1ccccc1 292178522 PZFUEGRQQBUBLJ-RDJZCZTQSA-N 284.403 3.723 30 20 CHED CC(C)(C)[C@@H](NC(=O)CCCC#N)c1ccccc1 292242354 GOHWNJKICFRKPN-HNNXBMFYSA-N 258.365 3.584 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCc2ccc(F)cc21 301213718 YQRDCROZLZKYNT-INIZCTEOSA-N 270.282 3.936 30 20 CHED C[C@]1(CO)CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 301729786 RTCPXEREZDZSEM-UONOGXRCSA-N 298.308 3.540 30 20 CHED N#Cc1ccc2nc(NCCc3cccs3)ccc2c1 301833905 VHOJFMXYNRJSOM-UHFFFAOYSA-N 279.368 3.823 30 20 CHED C=CCN(CC=C)C(=O)/C=C(/CC)c1ccc(C)cc1 303901738 QAZJECBAPFYZSJ-PEZBUJJGSA-N 269.388 3.989 30 20 CHED C[C@@H](C#N)SCc1ccc(Br)cc1 306394291 FLZNGYQYWYXXDD-QMMMGPOBSA-N 256.168 3.594 30 20 CHED Cc1cc(C#N)cc(NCc2cccc(C)c2F)c1 308119711 DNCPUQCZUAHFDN-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CCC(C)(C)OCCNc1c(C#N)cnc2ccccc12 308509683 BHGXEURNIQFPDE-UHFFFAOYSA-N 283.375 3.724 30 20 CHED N#Cc1sc(N2CCC3(CCCC3)CC2)nc1Cl 310799226 AENMKJFGYZLXJV-UHFFFAOYSA-N 281.812 3.829 30 20 CHED Cc1ccc(OCCO[C@@H](C)C#N)c(C(C)(C)C)c1 311713137 KHMIVRQOWSBHLG-ZDUSSCGKSA-N 261.365 3.600 30 20 CHED C=CCCCCCCN[C@@H]1CCO[C@@H](C(F)(F)F)C1 312081095 TWMQVSPDMCYSOJ-CHWSQXEVSA-N 279.346 3.822 30 20 CHED C[C@@H](CCc1ccc(O)cc1)Nc1cccc(CC#N)c1 313431685 WOPHGEOZSVHMKE-AWEZNQCLSA-N 280.371 3.891 30 20 CHED N#CCc1cccc(NCc2ccccc2OC(F)F)c1 313486969 ZAPGTIWIIZGJPJ-UHFFFAOYSA-N 288.297 3.966 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(N(C)C)cc1 315420743 ILBSOVZIRJQTIH-CQSZACIVSA-N 295.386 3.828 30 20 CHED C[C@H](/N=C(/O)c1c[nH]c2ncccc12)[C@@H]1C[C@H]2CC[C@H]1C2 328816942 OSSATKDMVXWDPN-MNXVOIDGSA-N 283.375 3.692 30 20 CHED C[C@]1(NC(O)=Nc2cccc(C3CCC3)c2)CCCOC1 329605898 HSHLXPZOVMTXCS-KRWDZBQOSA-N 288.391 3.658 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)C[C@H]1CCCCO1 330324537 IOSBOANAMLKNFL-CQSZACIVSA-N 299.374 3.932 30 20 CHED CC(C)c1[nH]ccc1C(O)=Nc1cnc(C(C)(C)C)nc1 330603479 XNWIOXICUNPITN-UHFFFAOYSA-N 286.379 3.862 30 20 CHED CN(CC1CCCCC1)[C@H](C(=N)O)c1ccc(C#N)cc1 330797745 GUXNOWZXBLZYSU-INIZCTEOSA-N 285.391 3.647 30 20 CHED Cc1ccc(N=C(O)c2cc(C)n(C(C)C)c2C)c(O)n1 330876515 FUTKWPGKPWCEGN-UHFFFAOYSA-N 287.363 3.731 30 20 CHED CCC(C)(C)c1ccc(N=C(O)C(=O)NC(C)(C)C)cc1 331303218 CTKLEILKMLUHBR-UHFFFAOYSA-N 290.407 3.877 30 20 CHED C[C@@H]1CC[C@@H](/N=C(/O)Nc2ccccc2OCC(F)F)C1 331310680 ZEKZCQIMPMWJMH-GHMZBOCLSA-N 298.333 3.845 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC(C)(C)[C@@H]2C(C)C)c1 332467675 QZJBDYKOZXZBGL-HNNXBMFYSA-N 285.391 3.765 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc2[nH]ccc2cc1C 335236185 MQOXXCOLINSAOL-UHFFFAOYSA-N 257.337 3.516 30 20 CHED N#CCc1cccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 335454398 IUDUJENZGFQKGP-HOCLYGCPSA-N 283.375 3.549 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC(C)(C)[C@@H]1c1cccnc1 335555652 VXKDGLFGFNJUER-AWEZNQCLSA-N 272.392 3.593 30 20 CHED Cc1cnc([C@@H](C)N2CC=C(c3ccc(C#N)cc3)CC2)o1 336379011 DCSSXAJEKXQSOX-CQSZACIVSA-N 293.370 3.705 30 20 CHED C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)CC#N)C1 336413190 KFCUUXMDYLWQGB-ZWNOBZJWSA-N 296.292 3.529 30 20 CHED CCCC[C@H](C)C(=O)N(CCC#N)C(C)(C)CC 337021365 WWHJYRPTODGRNW-ZDUSSCGKSA-N 252.402 3.744 30 20 CHED COCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 338362637 RMFIETFDFAUZAU-BEFAXECRSA-N 294.398 3.987 30 20 CHED CN(Cc1ccc(F)c(Cl)c1)[C@H]1CC[C@H](C#N)C1 339127792 XTRJPOZBQOLIBW-JQWIXIFHSA-N 266.747 3.603 30 20 CHED CCOc1ccc(/C=C\c2ccc(C#N)cn2)cc1OC 339187966 NOAGTDRSSRDRAC-DAXSKMNVSA-N 280.327 3.531 30 20 CHED CN(C)c1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 340766791 GGNMRDYHEONZOM-UHFFFAOYSA-N 299.761 3.530 30 20 CHED CCc1noc(C)c1CSCc1cccc(C#N)c1F 340858665 ZCIYHDCAPDPKJL-UHFFFAOYSA-N 290.363 3.990 30 20 CHED N#CCc1ccc(C[S@](=O)C/C=C\c2ccccc2)cc1 342262599 ZDSMMFDXSRBTQV-ANIGNSTFSA-N 295.407 3.715 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 342357352 FKLXOYZRCDFNDG-GFCCVEGCSA-N 297.354 3.844 30 20 CHED CCC(C)(C)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 344272520 OTOIQTXZQUEQHA-UHFFFAOYSA-N 284.403 3.876 30 20 CHED C=CCCC1(c2nc(-c3ccncc3CC)no2)CC1 346986665 KZUYCKRLWBURBA-UHFFFAOYSA-N 269.348 3.692 30 20 CHED C[C@H](C#N)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 347036370 LWJSFGVMBGXVID-ZIAGYGMSSA-N 298.411 3.998 30 20 CHED CCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 347642938 CYJYVQPTEMAOLP-UHFFFAOYSA-N 296.345 3.949 30 20 CHED C=C(C)CCc1noc(-c2cccc(-c3nnc(C)o3)c2)n1 349769670 AKEZZEWCDYAPIN-UHFFFAOYSA-N 296.330 3.604 30 20 CHED C[C@H](CC#N)N(C)CCn1ccc2cc(Cl)ccc21 351542968 ZTSNRFXIRDJRDO-GFCCVEGCSA-N 275.783 3.529 30 20 CHED CC(C)c1ccccc1NC(=O)N1CCC(F)(C#N)CC1 353350621 IGWMNWQQSKQKEJ-UHFFFAOYSA-N 289.354 3.670 30 20 CHED Cc1ncccc1CNc1cc(C#N)ccc1OC(C)C 354871500 ZHYNUQKRPMIYAH-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1C[C@H]1c1cccc2ccccc12 357690596 HHMZHPUVXHRGPF-IRXDYDNUSA-N 292.382 3.752 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnc([C@H](C)CC)nc1 358154663 RBQDOFZTYMFOBF-GFCCVEGCSA-N 273.380 3.697 30 20 CHED C=CCC1(C(=O)N2CC[C@H]2Cc2ccccc2)CCC1 359414946 PONQMBNEIOGRGU-INIZCTEOSA-N 269.388 3.576 30 20 CHED CC(C)(C)N(Cc1cccc(F)c1)C(=O)CCCC#N 362094808 OLYAKOXPZRYFSS-UHFFFAOYSA-N 276.355 3.647 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H](OCC2CC2)C1 375720300 QUHOOYPWGHOJKI-INIZCTEOSA-N 278.440 3.597 30 20 CHED COc1cc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)ccc1C#N 378818745 DDNHWDYAWHWROH-HZPDHXFCSA-N 284.403 3.577 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)Cc1cccc(F)c1 410126579 BLVVNNMHVBVDLJ-BBRMVZONSA-N 277.383 3.865 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)c1cccc(Cl)c1 410146006 RKOOATQIZALCQQ-BXUZGUMPSA-N 265.784 3.914 30 20 CHED C=CCN(CCc1ccccc1)[C@@H](C)c1nc(C(C)C)no1 411192616 DMEFBJXCSWJVSR-HNNXBMFYSA-N 299.418 3.985 30 20 CHED C=CCC[C@H](NCC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccco1 414161563 FQKUZVGVBDXAIL-LVQVYYBASA-N 275.392 3.834 30 20 CHED C[C@@H]1O[C@H](C)C[C@@H]1CN[C@H]1CCCCc2cc(C#N)ccc21 414260148 MVPDNDAPTQIHDZ-AHMDFLBRSA-N 298.430 3.729 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccncc1Cl 421864243 YBMCKFBWABJIBK-NSHDSACASA-N 252.789 3.988 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 424866471 FPHMHPUXXGKBNY-CHWSQXEVSA-N 293.432 3.687 30 20 CHED CCc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 425121884 CIJGKHWMFFHCEF-AWEZNQCLSA-N 292.382 3.954 30 20 CHED CCN(CC(C)(C)COC)[C@@H](C)c1ccc(C#N)cc1 426040796 XSKYDYCIRIMVSY-AWEZNQCLSA-N 274.408 3.614 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCn1ccc2ccccc21 428053419 LEPNPZOWSDSZCB-MRXNPFEDSA-N 282.387 3.599 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1cc(C)oc1C 432344623 FDLJZZPGOJYYGL-GFCCVEGCSA-N 278.396 3.859 30 20 CHED C[C@H](c1c(F)cccc1F)N(C)CC(C)(C)C#N 433309122 WVLZLVYTSVASPJ-SNVBAGLBSA-N 252.308 3.507 30 20 CHED CC(C)COc1ccccc1N[C@@H]1CC[C@@H](C#N)C1 442869463 DIFRRIRLQDUMCW-ZIAGYGMSSA-N 258.365 3.826 30 20 CHED CO[C@H](c1ccccc1Cl)[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 442870931 LBHQVYLKOICXIB-VLXAULBPSA-N 292.810 3.698 30 20 CHED CC(C)[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 444773906 TZWWDVYXYSDKOW-AWEZNQCLSA-N 260.356 3.565 30 20 CHED C=CC(C)(C)CNC1CCN(C2CCCCC2)CC1 449486515 SQTGPJUPYZHVBR-UHFFFAOYSA-N 264.457 3.585 30 20 CHED C=CCCCC[C@H](C)Nc1cnn([C@@H]2CCOC2)c1C 449541244 ZSEFMONRUURZNP-DZGCQCFKSA-N 277.412 3.700 30 20 CHED C=C(CC)CNC1CCN([C@H]2CCC[C@@H](C)C2)CC1 449735476 QXTZIGKHCMWKCK-WBVHZDCISA-N 264.457 3.585 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2cnccc2c1 450428258 VTTTZRLXCOWNMW-CYBMUJFWSA-N 268.360 3.709 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CCCC1 450670364 FJRRXJZLQMYIJF-CYBMUJFWSA-N 279.424 3.585 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(C)cc1C 452776378 KMBGNOAMKBZRFP-UHFFFAOYSA-N 259.393 3.564 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1-n1nc(C)cc1C 454403318 DPKGRQAKTGLGKN-UHFFFAOYSA-N 298.390 3.577 30 20 CHED N#Cc1ccccc1CSCCNC1CC2(CCC2)C1 459375943 KXOLZNKXYZEBIC-UHFFFAOYSA-N 286.444 3.714 30 20 CHED C=C(C)Cn1c(N2C[C@@H](C)C[C@H]2CC)nnc1C(C)(C)C 460574911 NSTJWSWHDZMJGF-UONOGXRCSA-N 290.455 3.777 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2c(F)cccc21 461364533 VGSJPLHWVDAHET-GFCCVEGCSA-N 266.319 3.821 30 20 CHED CCc1nc(NC(=O)[C@H](C)c2cccc(C#N)c2)sc1C 461912872 ZAFCXAOKLYYPCQ-SNVBAGLBSA-N 299.399 3.628 30 20 CHED C[C@H](C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1cccc(C#N)c1 462547889 GYRFGWFLCRGUTH-XJIUQZFPSA-N 284.403 3.603 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCSc2ccccc2)C1 463294576 ULWMFGHTFZIGJV-CABCVRRESA-N 274.433 3.841 30 20 CHED C=CCOCCCC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 463321497 SBVRYAVQLCKPFS-CABCVRRESA-N 281.440 3.690 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1sc(C)c(CC)c1C#N 463696330 MFUGUZTWAJMPCT-ZYHUDNBSSA-N 276.405 3.865 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N[C@H](C#N)C(C)(C)C 464706923 FGJTXEWJTCAJLH-UONOGXRCSA-N 264.413 3.647 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(OCc2ccccc2)cc1 465170571 NTAFNDFHYSOMGC-AWEZNQCLSA-N 296.370 3.962 30 20 CHED C=C(C)CN(CC)C(=O)COc1ccc(C2CCC2)cc1 466361471 AJEFSSCCTCOUHL-UHFFFAOYSA-N 287.403 3.758 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2oc(CC)nc2c1 466378889 ULXKKNHEOUTOAN-NSHDSACASA-N 287.363 3.866 30 20 CHED CC1(C)CN(C(=O)Nc2cccc(C#N)c2)CC(C)(C)C1 466709612 FHXDMWNOJJLRRB-UHFFFAOYSA-N 285.391 3.848 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(C(C)(C)C)cc1 467006108 NHBVUPITUBNRTH-UHFFFAOYSA-N 274.408 3.702 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc(CC)cc1)C1CC1 472777584 ZGLIJHACZVOTQV-SFHVURJKSA-N 273.420 3.541 30 20 CHED C=CCN(C(=O)[C@@H](C)C1CC1)c1nc2c(s1)CCCC2 477126729 LCFQZUWGBYMIGF-NSHDSACASA-N 290.432 3.587 30 20 CHED CCC[C@@](C)(CC)C(=O)N[C@@H](C#N)c1ccccc1F 483974566 DQKDTMQJGXPICM-GOEBONIOSA-N 276.355 3.723 30 20 CHED CC(C)c1ccc(C(=O)N[C@]2(C#N)CC2(C)C)cc1Cl 484913306 URSBWMPZFLHGMW-INIZCTEOSA-N 290.794 3.885 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)s1)[C@H](C)C1CCCCC1 487774613 XKWYZYUGDYXWLT-NWDGAFQWSA-N 290.432 3.954 30 20 CHED Cc1cc(CN2CCC[C@H]2c2ccc[nH]2)ccc1C#N 488187611 VWXUOMSHGAZAMY-KRWDZBQOSA-N 265.360 3.532 30 20 CHED CC(C)[C@H]1N(c2ncc(C#N)cc2Cl)CC12CCC2 488485642 KHZZQWBOLMZYGL-CYBMUJFWSA-N 275.783 3.622 30 20 CHED C=CC[C@@H](C(=O)NCCC(C)(C)C)c1ccccc1 488607723 IZQDPYRYMIREIO-OAHLLOKOSA-N 259.393 3.899 30 20 CHED CC#CCCNC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 488819434 SMLVHGZVVBPHRY-CABCVRRESA-N 269.388 3.506 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)c1c(F)cccc1F 488832446 USZVIZHEAPIFDM-NWDGAFQWSA-N 279.330 3.635 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1c1cccc(F)c1 489082049 WFVDIONVPIVEDW-MRXNPFEDSA-N 298.361 3.791 30 20 CHED C=CCC(C)(C)CNC(=O)CCO[C@H](C)CC(C)C 490084182 IFLXZEKLBFKWAX-CQSZACIVSA-N 269.429 3.546 30 20 CHED N#CC1(N(C(=O)/C=C\Sc2ccccc2)C2CC2)CCC1 492766840 BXOLEYQSCJSHIY-XFXZXTDPSA-N 298.411 3.730 30 20 CHED CN(Cc1cccc2[nH]ccc12)c1c(F)cc(C#N)cc1F 493531888 ULLGHTPCCGSVOQ-UHFFFAOYSA-N 297.308 3.954 30 20 CHED C[C@@H]1C[C@]1(NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 500393358 BCXUWCIVFQLGCF-SJKOYZFVSA-N 299.805 3.575 30 20 CHED C=CC1CCN(CCCc2ccccc2OC)CC1 505611042 NSKBDLSUNZWUKA-UHFFFAOYSA-N 259.393 3.526 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCC(C)(C)CCC#N 513149345 NAJLCOGWVKUDDD-HUUCEWRRSA-N 293.455 3.927 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1ccco1 514805016 ITTRZIJDBMBAEC-PMPSAXMXSA-N 276.424 3.749 30 20 CHED CCN(CCc1cccs1)Cc1cc(C#N)ccc1F 521193686 NRVUBAVKFIYFPG-UHFFFAOYSA-N 288.391 3.823 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 522981131 ZRTPRMMFSIOKNU-SJORKVTESA-N 299.418 3.716 30 20 CHED CC1(C)CCC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 527195381 VXBRTPRUVZEPNE-CYBMUJFWSA-N 290.794 3.910 30 20 CHED CC[C@H](CCc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 527890295 HHEAZZUSSICZFQ-GVDBMIGSSA-N 256.393 3.680 30 20 CHED CCC(C#N)(CC)C(=O)NCc1oc2ccccc2c1C 528577323 CDZDDZGGXXZDGM-UHFFFAOYSA-N 284.359 3.687 30 20 CHED C=CCCCC(=O)N1CCc2cccc(F)c2[C@H]1C 531361557 DPQVNKCAFLRDOI-GFCCVEGCSA-N 261.340 3.628 30 20 CHED N#Cc1ccc(OCCOc2ccc(Cl)cc2)c(F)c1 531761062 HXCUYDSRJIXBJY-UHFFFAOYSA-N 291.709 3.809 30 20 CHED Cc1cn(Cc2csc(C3CCCC3)n2)cc1C#N 532088154 ZBYLTLCAOIAMLB-UHFFFAOYSA-N 271.389 3.831 30 20 CHED C=C(C)CN1CCCC[C@@H]1c1nc2ccccc2n1C 533524830 YSOJIKVQQXIGGQ-MRXNPFEDSA-N 269.392 3.676 30 20 CHED CCCOc1ccc(CN(CCC#N)Cc2ccco2)cc1 535063109 WKTKQWAJUMIVEW-UHFFFAOYSA-N 298.386 3.984 30 20 CHED C[C@H]1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 536008906 UZYHYLABCHBPRA-ZFWWWQNUSA-N 284.403 3.654 30 20 CHED C=CCCC[C@H](C)NC(=O)c1nccc2ccccc12 537233056 YPUCCGJJGDRLAT-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)Nc1c(F)cccc1F 539094895 BCOSKJSGSDKWOD-JTQLQIEISA-N 285.359 3.991 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cc(Cl)ccc1OC 540170824 POUZRXVUWNCBTA-WDEREUQCSA-N 253.773 3.964 30 20 CHED C=CCN[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F 543870638 IOBVQRIMYKIXHM-SNVBAGLBSA-N 299.214 3.964 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(CC)c2O)n1 551136367 LEGQGSJWBVJLCI-UHFFFAOYSA-N 272.348 3.858 30 20 CHED C=CCC[C@H](NCC1(CN(C)C)CCCC1)c1ccco1 552283428 CUONAYPGPZZABX-INIZCTEOSA-N 290.451 3.999 30 20 CHED C/C(=C/c1ccccc1)CN(C)[C@@H]1CC[C@@H](C#N)C1 555461749 UNLZJDCJTVRUKQ-QYRJGMMTSA-N 254.377 3.714 30 20 CHED C=C(C)CCc1noc(-c2csc(C3CC3)n2)n1 556807416 SJNDVQOWKYQCJK-UHFFFAOYSA-N 261.350 3.579 30 20 CHED N#Cc1ccnc(N[C@@H]2CCC[C@H]2Cc2ccccc2)c1 557604804 XKEILCRFPAWFKX-DLBZAZTESA-N 277.371 3.777 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)[C@@H]2CCC[C@@H]21 559426038 YPRCDUFEFSEPKE-JKSUJKDBSA-N 272.367 3.708 30 20 CHED C=C(C)CN1CCn2c(cc3c(Cl)cccc32)C1 562495405 BLDBJTOELLWCLK-UHFFFAOYSA-N 260.768 3.686 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(C)c2cccc(C#N)c2)CC1 567473527 MAKVKVPKHBICQS-HNNXBMFYSA-N 268.360 3.658 30 20 CHED C[C@@H](CC(C)(C)C)C(=O)Nc1ccccc1CC#N 570192911 YCSSBFDKNGQJJN-LBPRGKRZSA-N 258.365 3.763 30 20 CHED CCc1ccc([C@H](Nc2cc(C#N)ncn2)C(C)C)cc1 571005751 CDCIBDUCTHAPRN-QGZVFWFLSA-N 280.375 3.720 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2CC2CCCCC2)nc1 571738378 AMQZRZMXQQVMQF-GOSISDBHSA-N 283.419 3.888 30 20 CHED C[C@H](CNCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 576386192 GUPRTRCANWFQJX-LLVKDONJSA-N 282.309 3.702 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCCC[C@H](C)C1 578052610 UOMIWSYLRAXSHU-AWEZNQCLSA-N 290.455 3.679 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)[C@@](C)(C#N)CC 582084002 XGYHOUJUDQFLQO-QGZVFWFLSA-N 272.392 3.674 30 20 CHED CC(C)(C)CN(Cc1ccc(C#N)cn1)CC(C)(C)C 582972535 LTHDEOJHUWCWMW-UHFFFAOYSA-N 273.424 3.847 30 20 CHED Cn1ccc2c(NC(=O)CCCCCC#N)cccc21 588155950 FKHIEHGTVIQZGI-UHFFFAOYSA-N 269.348 3.591 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCC[C@H]1CCCCO1 588457744 DEDPPLOSVOZCBQ-YZYPPFLQSA-N 298.386 3.709 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)OCO3)cc1Cl 589963090 YKRTWRPTZWUUIB-UHFFFAOYSA-N 257.676 3.607 30 20 CHED COc1nccc2c(NC(=O)CCCCCC#N)cccc12 591085954 PSUQWIMDGSSXRF-UHFFFAOYSA-N 297.358 3.656 30 20 CHED C=CCC1(CNC(=O)N(CC)CCSC)CCCC1 592012960 QJRUHXZWAWPZLZ-UHFFFAOYSA-N 284.469 3.517 30 20 CHED C=CCCOCC(=O)N[C@@H](C)c1cc2ccccc2s1 593114113 HZHQWFVBUDUQLQ-LBPRGKRZSA-N 289.400 3.671 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(CCC(F)(F)F)c1 593516902 PQMJTSCJXHIRTN-LLVKDONJSA-N 284.281 3.670 30 20 CHED C=CC[C@H]1CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 596428265 RPOURKVLCILJAN-ZDUSSCGKSA-N 288.347 3.590 30 20 CHED CC(C)(C)CCCCC(=O)NCCc1ccc(C#N)cc1 597889972 LHOIVUIBRSGQNU-UHFFFAOYSA-N 286.419 3.823 30 20 CHED Cc1nc(S[C@@H](C#N)CCc2ccccc2)oc1C 601074753 CUZRTDRLLNDPHW-CQSZACIVSA-N 272.373 3.909 30 20 CHED N#C[C@H](CCc1ccccc1)c1nc(C2CCC2)no1 601967246 DRYSSJGNKRRQFX-AWEZNQCLSA-N 267.332 3.577 30 20 CHED CC(C)Oc1ccc(CCNC[C@@H](C)CCC#N)cc1 602500785 BBGCISIBUSFUPO-HNNXBMFYSA-N 274.408 3.546 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)Nc1cccc(CC#N)c1 603031278 ABNLITPHPLTWLX-GFCCVEGCSA-N 271.364 3.547 30 20 CHED C=CCCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 606451218 RXAHULZBPNOOCI-OAHLLOKOSA-N 275.367 3.687 30 20 CHED Cc1ccc(CN=c2cc(C#N)c3ccccc3[nH]2)cc1F 609890857 VLBRKXQWBWPECI-UHFFFAOYSA-N 291.329 3.588 30 20 CHED C[C@@H](Cc1ccncc1)N[C@H]1CCCc2cc(C#N)ccc21 611393800 MBZAHBCBDVQUAP-LIRRHRJNSA-N 291.398 3.551 30 20 CHED Cc1cccc2c(N3CCC(CC#N)CC3)c(C#N)cnc12 611617948 CRTHVINERBZAOP-UHFFFAOYSA-N 290.370 3.545 30 20 CHED CC[C@@H](C)CCCCC(=O)NCc1ccc(C#N)cc1 612011514 RLDRJGYCYWGHER-CQSZACIVSA-N 272.392 3.781 30 20 CHED CC(C)[C@H](CC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612241223 WWXCKUWCYHTXKJ-PKOBYXMFSA-N 298.430 3.969 30 20 CHED C[C@@H](Nc1ccccc1C[S@@](C)=O)c1cccc(C#N)c1 613040909 GCOHERNCEKZKEA-LRTDBIEQSA-N 298.411 3.610 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C[C@@H]1CCc2ccccc21 613363449 KLRFWNFFTGVRQP-KSSFIOAISA-N 284.403 3.551 30 20 CHED COc1ccc(OCc2ccc(C#N)cc2C)cc1C 614392455 NUPSZBDEWYTIBC-UHFFFAOYSA-N 267.328 3.763 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2csc(C)c2C)C1 617781291 JLVLBZJXFFEFOB-CYBMUJFWSA-N 263.406 3.793 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(SC)cc2)C1 617788635 NSXJKATYHMGPGG-CYBMUJFWSA-N 275.417 3.837 30 20 CHED C=CCC1(NC(=O)CCOc2ccc(F)cc2)CCCC1 619114598 KTRCYTPSXJJMOE-UHFFFAOYSA-N 291.366 3.600 30 20 CHED CC1=C(C)CN(c2c(C#N)cnc3c(F)ccc(F)c23)CC1 619505774 QZRMIVLAAZEWCT-UHFFFAOYSA-N 299.324 3.931 30 20 CHED C=C[C@@H](N[C@@H](C)c1ccc(SC(C)C)cc1)C(=O)OC 619701191 AKLQZJQNALORHS-SWLSCSKDSA-N 293.432 3.565 30 20 CHED C=CCC1(NCCc2c(C)noc2C)CCCCC1 625935164 PPYYTFWWYUQUDY-UHFFFAOYSA-N 262.397 3.703 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc2oc(C)nc12 640243259 AUKKXOKCINGOCX-NSHDSACASA-N 273.336 3.612 30 20 CHED C=CCOc1cccc(CNCc2cccc(OC)c2C)c1 657801954 OOMXIYBYDLXCIN-UHFFFAOYSA-N 297.398 3.858 30 20 CHED C=CCCNC(=O)N1CCC[C@H]1c1ccccc1Cl 661571914 BAOAWPAVSVTDHC-AWEZNQCLSA-N 278.783 3.763 30 20 CHED C=CC1CCN(c2nnc(CCCC)n2CC(=C)C)CC1 670210616 WFQBCCQMMPJIHU-UHFFFAOYSA-N 288.439 3.599 30 20 CHED C=CCCC(=O)NCCc1ccc(-c2ccccc2)cc1 675933460 XRDHWXNOBSZRHC-UHFFFAOYSA-N 279.383 3.979 30 20 CHED CC#CCCN1CCCC[C@H]1c1ccccc1OC 680884137 OKQZONXZRCNXKZ-INIZCTEOSA-N 257.377 3.636 30 20 CHED CCC1(C(=O)Nc2cc(F)cc(C#N)c2)CCCC1 720258093 BSJXGOJRTHBSPZ-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1/N=C/c1ccc(O)c(O)c1O 727781499 OOQWBAMKXVRBRO-RPEFPMCLSA-N 291.391 3.827 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccccc1 727973273 XFNUACUWYMYEOT-UHFFFAOYSA-N 269.304 3.739 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccc(O)cc1 728431724 AEZGCDLOGVPPRU-UHFFFAOYSA-N 277.327 3.777 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)nc1 728810867 MZHLKJNYOIEQPE-HNNXBMFYSA-N 292.382 3.513 30 20 CHED C#CCOc1ccc(NC(=O)c2ccc(CC)cc2)cc1 730980701 QBBOXHLZIXXNPM-UHFFFAOYSA-N 279.339 3.513 30 20 CHED Cc1cc(F)ccc1C=NNc1cnnc2ccccc12 733747988 AOPZJMHZRDRSMW-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C=C(C)CN(CC)C(=S)N[C@@H](CC)c1cccs1 734369261 ROYSVMYLSINVBB-LBPRGKRZSA-N 282.478 3.972 30 20 CHED C=CC[C@@H](NC(=O)N(CC1CC1)CC1CC1)c1ccncc1 734683688 OKVDCLMRLMGUKR-QGZVFWFLSA-N 299.418 3.530 30 20 CHED C=CCCCSc1nc2ccc(C(=O)O)cc2o1 736102248 FIPNUIMHRNIQRJ-UHFFFAOYSA-N 263.318 3.584 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cnc2ccsc2c1 739411837 PPYRREYUZIERTB-UHFFFAOYSA-N 297.387 3.539 30 20 CHED COCC(=NNc1cccc(Br)c1)C(C)C 741459054 TWAUXUYOGWGHBP-UHFFFAOYSA-N 285.185 3.519 30 20 CHED CCCCCCCC(=O)N[C@@H]1C[C@H](OCC)C12CCC2 741616661 ZEPAAHTYBYNGRU-CABCVRRESA-N 281.440 3.811 30 20 CHED CC#CCOC(=O)CSc1ccc2c3c(cccc13)CC2 744562374 ICKFGIQVKFVFLO-UHFFFAOYSA-N 296.391 3.597 30 20 CHED C[C@H]1OCC[C@@H]1NCc1cccc(-c2ccc(C#N)s2)c1 747869623 MKHVAEBMLGYHGB-WBMJQRKESA-N 298.411 3.554 30 20 CHED CCN(C)c1ccc(C(C)=NNc2ccc(F)cn2)cc1 748075458 JHIWBDDGWRARHI-UHFFFAOYSA-N 286.354 3.513 30 20 CHED C/C(=C/C(=O)O[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 748396944 YQHHTDMYKPWMRZ-RNKPRXRFSA-N 283.249 3.564 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H](C)C1CCCC1 748920095 DEJNIRFXUDGUSS-CYBMUJFWSA-N 271.360 3.736 30 20 CHED Cc1cccc2ncc(/C=C/C(=O)c3ccsc3)n12 748996847 BISBNWCKSLHBRV-AATRIKPKSA-N 268.341 3.600 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(CCCC)cc1 749226511 VMWAZWAQKIUFPB-UHFFFAOYSA-N 258.365 3.516 30 20 CHED N#Cc1cccc(/C=C2/Cc3c(F)ccc(F)c3C2=O)c1 749588718 FZIAAORCQBBIOA-GHXNOFRVSA-N 281.261 3.659 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(N2CCCC2)nc1 750938225 DVKYYXMHYHNOOE-UHFFFAOYSA-N 298.365 3.575 30 20 CHED C=CCCCC(=O)OCc1ccc(C#N)cc1OC(F)F 752552595 FBYFXICVYQGLIU-UHFFFAOYSA-N 295.285 3.559 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C1\CC[C@H](C)C1 753624675 LRZUIJHWAVTOFH-CVCOIXHCSA-N 287.334 3.523 30 20 CHED C#C[C@H](CC)NC(=O)c1sccc1-c1ccc(F)cc1 754367674 ZZUDXTXCELRFFO-CYBMUJFWSA-N 287.359 3.696 30 20 CHED C=CCc1cc(CN(C)[C@@H](C)C(C)C)c(O)c(OC)c1 754726587 RKRKUXDUWPPXKP-ZDUSSCGKSA-N 277.408 3.606 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)C/C(C)=C/c1ccccc1 755279697 LYHNBVNDEQRNJR-LCJXNMAOSA-N 284.403 3.533 30 20 CHED C[C@@H](C=NNc1nc2ccccc2n1C)c1ccc(F)cc1 756883048 LMABMTDFGODWFY-LBPRGKRZSA-N 296.349 3.914 30 20 CHED C#CC[C@@H](NCc1cccc(F)c1)c1ccccc1 756995878 LCWATEXAUZZFHP-QGZVFWFLSA-N 253.320 3.680 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1ccccc1O 757474968 OZIXSYYLLMZQIO-NTMALXAHSA-N 275.307 3.837 30 20 CHED CCCn1nc(C)c(/C=C2\Cc3c(F)cccc3C2=O)c1C 759652619 KWDTVSSSKCIERH-UKTHLTGXSA-N 298.361 3.871 30 20 CHED CCOc1ccc(/C=C2\Cc3c(OC)cccc3C2=O)cc1 759664705 LUBXVRINYJKZSB-SDNWHVSQSA-N 294.350 3.916 30 20 CHED C#CCCOc1ccc2ccc(C(F)(F)F)nc2c1 760350440 KVUNPTOORQKBSV-UHFFFAOYSA-N 265.234 3.656 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cnc(C)s1)c1ccncc1 761450911 MESBUCHBHGQPIA-SMDDNHRTSA-N 273.405 3.815 30 20 CHED C#CCCc1noc(C(C)(C)CCCc2ccccc2)n1 761999752 TYXBUOOYFDEYJK-UHFFFAOYSA-N 282.387 3.936 30 20 CHED CCCCCCCCC(=O)NCC(=O)c1cccs1 762294425 SFQJEUJZFUIFHH-UHFFFAOYSA-N 281.421 3.798 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Nc1cccnn1 764213205 WXMXWSGXKSVMER-ZDUSSCGKSA-N 278.400 3.595 30 20 CHED C=CC[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccncc1 766019959 OAARFCFVZIZPJC-CZUORRHYSA-N 296.370 3.778 30 20 CHED COc1cc(OC(=O)[C@@H](C)c2cccc(C)c2)ccc1C#N 767152239 XYFQCDFTQBDZII-ZDUSSCGKSA-N 295.338 3.584 30 20 CHED C#CCCCC(=O)N[C@@H](CC(F)(F)F)c1ccccc1C 767325588 AVEVGXWESJAFQS-AWEZNQCLSA-N 297.320 3.908 30 20 CHED CCOc1ccc(C=Nc2cccc(OC)c2F)c(O)c1 769718870 VPGMDGGUWULMEX-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CC(CCc1ccc(F)cc1)=NNCc1ccc(C#N)cc1 769822224 XPICLRDCQHFHTD-UHFFFAOYSA-N 295.361 3.796 30 20 CHED Fc1cc(F)cc(NN=C2CCCNc3ccccc32)c1 774375302 QOJUIVQRVHBEPL-UHFFFAOYSA-N 287.313 3.987 30 20 CHED C#CCOc1ccccc1NCc1cnc(C2CC2)s1 775360522 GGCDPIAJZBDOTC-UHFFFAOYSA-N 284.384 3.645 30 20 CHED C=CCCOCCCCC(=O)N(C)c1ccc(C)cc1 775689372 DTNOMICQZJCCJA-UHFFFAOYSA-N 275.392 3.721 30 20 CHED COc1nc2ccccc2cc1/C=C/C(=O)c1ccncc1 776187814 AYMOZKBEPYXWHQ-VOTSOKGWSA-N 290.322 3.535 30 20 CHED CC(C)c1ncc(/C=C/C(=O)c2ccncc2)s1 776187861 BQADHOLCMAYKDQ-ONEGZZNKSA-N 258.346 3.558 30 20 CHED C#CC[C@H](N[C@@H]1CCO[C@@H](C(C)C)C1)c1ccccc1 776744237 GDICHGZULFDHAW-FGTMMUONSA-N 271.404 3.544 30 20 CHED CCCCCCCCC(=O)Nc1cnc2c(c1)COCC2 777264979 IJAGDIDUBGVWQX-UHFFFAOYSA-N 290.407 3.843 30 20 CHED C#CCOc1ccc([C@H](C)Nc2cnn(CC(C)C)c2)cc1 777273722 DJSUIKHRZQOPLT-HNNXBMFYSA-N 297.402 3.724 30 20 CHED Cn1ncc(Cl)c1C=NNc1cccc2ccccc12 780219508 OXCNXMVCAAOUME-UHFFFAOYSA-N 284.750 3.673 30 20 CHED CCSCCC=NNc1ccc(OC(F)F)cc1 781122632 QPMLNWIUUVJNFR-UHFFFAOYSA-N 274.336 3.829 30 20 CHED COc1ccc(C=NNCCC(C)(C)C)c(Cl)c1OC 782902754 INBMFLSQTPNVNL-UHFFFAOYSA-N 298.814 3.717 30 20 CHED C=CCCCCCSc1nnc(-c2cccs2)n1N 783063991 XZXJCAOEDJJZCI-UHFFFAOYSA-N 294.449 3.559 30 20 CHED CCCCC[C@@H](CC)C(=O)N1CCC[C@@](C)(C#N)C1 784745581 KHFULQZAHDKWJQ-ZBFHGGJFSA-N 264.413 3.745 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(CC(C)C)CC1 785598440 IGPBXNAHILJBFY-MRXNPFEDSA-N 251.414 3.873 30 20 CHED C=C[C@](C)(CC)COC(=O)c1cc2ccccc2nc1O 786525116 SSUSBTBCMOPPMH-QGZVFWFLSA-N 285.343 3.700 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(Br)ccc1O 787308015 BVSSQCAKRRQKQI-ZDUSSCGKSA-N 296.208 3.695 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(C#N)cc1Cl 788425348 QZDYTDSNQXOGLZ-UHFFFAOYSA-N 294.745 3.919 30 20 CHED C#CCC1(C(=O)Nc2cc(CC(C)C)[nH]n2)CCCCC1 788587786 NLGFTBYKZBDGRS-UHFFFAOYSA-N 287.407 3.521 30 20 CHED CC(Cc1cccs1)=NNc1ccc2c(=O)[nH]ccc2c1 789085900 OHSJJOYXIFDNBY-UHFFFAOYSA-N 297.383 3.620 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1SCC 789838334 UNANHTMKSOQYHI-SECBINFHSA-N 282.796 3.595 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccccc1C(C)C 790604670 WTBVBFCALABBDY-CYBMUJFWSA-N 258.365 3.733 30 20 CHED Cc1ccc(OC(=O)c2ccc(Cl)c(C#N)c2)cc1F 791026160 WYMMDBUEFPXUTM-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C=CCC1(C(=O)OCc2cc(Cl)ccn2)CCC1 791800492 HTBWJSUAQUAMKQ-UHFFFAOYSA-N 265.740 3.525 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2ccnc(F)c2)cc1 794720039 PGIOQECPJOGQTC-VMPITWQZSA-N 285.318 3.906 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1ccc(C)cc1O 794799253 ZYGMFTXRRBFAAW-KRWDZBQOSA-N 280.371 3.813 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)OCC(=O)c1cccc(C#N)c1 796327184 SKGVSQNTOLFIPF-GDBMZVCRSA-N 299.370 3.501 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1ccc(F)cc1C#N 796334455 XIFVFUCQUNMVFS-INIZCTEOSA-N 277.339 3.957 30 20 CHED C=CCC[C@H](CC)N[C@H](C)[C@H](O)c1ccc(C)cc1 797065849 ZXFULMWLHVPDQJ-PVAVHDDUSA-N 261.409 3.751 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCCc3ccc(F)cc32)o1 797215423 MYKAOTVZBWMXEK-CQSZACIVSA-N 285.274 3.525 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1nc(C2CC2)cs1 797256093 YBIXUFGTZTYIBH-LKFCYVNXSA-N 278.377 3.565 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@H]2CC23CCC3)s1 797571433 RHJTWWSATJIPLE-GHMZBOCLSA-N 288.416 3.807 30 20 CHED Cc1ccc(CCCOC(=O)c2cc(C#N)oc2C)cc1 797887209 CWXHBLPAZGRXAY-UHFFFAOYSA-N 283.327 3.558 30 20 CHED C#C[C@H](NC(=O)N(CCC)[C@@H]1CCc2ccccc21)C(C)C 798557080 PBDALODCIYTUIW-ZWKOTPCHSA-N 298.430 3.753 30 20 CHED CC(C)C[C@H](C)C=NNc1nnc(-c2ccccn2)s1 799113020 FCYMXINZDSXOOH-NSHDSACASA-N 289.408 3.680 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cnn(-c3ccccc3Cl)c2)C1 799722317 MLMBMDQZFIPXGO-VXGBXAGGSA-N 286.766 3.630 30 20 CHED CC[C@H](C)CCC(=O)[C@H](C#N)c1cnc2ccccc2n1 802814075 UDBPEVCCPHXQOO-QWHCGFSZSA-N 281.359 3.632 30 20 CHED C=CCCCCCCNC(=O)Nc1scnc1CC 806363197 XVTFZXPFYSQBPR-UHFFFAOYSA-N 281.425 3.964 30 20 CHED C#C[C@H](NC(=O)c1ncsc1-c1ccccc1)C(C)(C)C 807877990 CXFVJBVFZASOHP-ZDUSSCGKSA-N 298.411 3.588 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(C(C)(C)O)cc2)c1 807955427 WLGHYBILYYMHDK-UHFFFAOYSA-N 282.387 3.977 30 20 CHED O=C1/C(=C/c2cnccn2)CCc2c1sc1ccccc21 809158201 QOTGFXSPMDQEML-PKNBQFBNSA-N 292.363 3.904 30 20 CHED C=CCN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)C 809912525 FYKRRVLTPXQNQT-UHFFFAOYSA-N 297.742 3.677 30 20 CHED Cc1ccc(F)c(C=NN[C@H](C)COc2ccccc2)c1 811668448 OKOWKPPKLSSSQA-CQSZACIVSA-N 286.350 3.525 30 20 CHED Cl/C=C/CON=C(C[C@@H]1CCOC1)c1ccccc1 811670265 NZSGXVYCEUNCQK-VXVYZFDBSA-N 279.767 3.586 30 20 CHED CC(=NOC/C=C\Cl)c1cccc(OC(F)F)c1 811671006 LADXECRJODGPGX-ZCTXJBCCSA-N 275.682 3.781 30 20 CHED COc1ccc(C)cc1/C=C1\Cc2ccc(C#N)cc2C1=O 811695550 IZQLKKFTZARRPM-MHWRWJLKSA-N 289.334 3.698 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C)cc(C)c2)cc1O 811699572 VQRMQVCHTMTNID-GQCTYLIASA-N 282.339 3.914 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1ccc(Cl)cc1 811947727 NGMMPEFDFUYWNK-CXAGYDPISA-N 297.785 3.934 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(C#N)cc1 812240805 SSGCNACADYOTAP-VURMDHGXSA-N 281.286 3.602 30 20 CHED C#Cc1ccccc1CC(=O)N(CC1CC1)C1CCCCC1 812968976 GXSMHIIZGRPLIG-UHFFFAOYSA-N 295.426 3.782 30 20 CHED N#Cc1ccccc1COC(=O)c1cc(F)ccc1Cl 814509285 ITUKMUWYLPEQLH-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Clc1ccccc1CNN=Cc1cccc2cc[nH]c12 814812907 QINPRAJPIXIUMY-UHFFFAOYSA-N 283.762 3.945 30 20 CHED COc1cc(C(=O)O)ccc1NN=CCC1CCCCC1 814887197 NHGGGOXXWUREOA-UHFFFAOYSA-N 290.363 3.762 30 20 CHED O=C1c2ccccc2CN1N=Cc1ccc(C2CCC2)cc1 814902502 OAMAHTFKSKCHSL-UHFFFAOYSA-N 290.366 3.944 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1c[nH]c(C(=O)O)c1 814934957 IUTFLFGGLPEYFK-UHFFFAOYSA-N 285.347 3.591 30 20 CHED Fc1cc(F)cc(C2CC(=NNC[C@H]3CCSC3)C2)c1 814936041 WOSKTBRDGWYJBX-RWANSRKNSA-N 296.386 3.541 30 20 CHED CCOc1ccc(NN=C2CCc3c(O)cccc32)cc1 814983716 NYOQFYCASDSMDZ-UHFFFAOYSA-N 282.343 3.553 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 815024727 LDOJTUKBPDORSG-LBPRGKRZSA-N 297.345 3.862 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(COC(C)C)c1 815112032 JVKOOGAFMFXRPZ-UHFFFAOYSA-N 283.318 3.762 30 20 CHED CC#CCN(C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 815280466 KVHQUDFSQCFTTR-UHFFFAOYSA-N 297.398 3.680 30 20 CHED CCCCCCCCCCC(=O)N1CCO[C@H]2C[C@@H]21 816900562 QEDCLNBXFUYWCD-GJZGRUSLSA-N 267.413 3.517 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(SC(F)F)cc2)C1 818230484 JBFMHZGZGPMTIC-NWDGAFQWSA-N 282.359 3.783 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCCC2(CCCCC2)CC1 821567044 CXOSRSBGUYJRBR-HNNXBMFYSA-N 276.424 3.544 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc3c(cn2)CCCC3)C1 823502516 XYCYHSOOBISLKQ-CQSZACIVSA-N 299.418 3.780 30 20 CHED C=CCCCNc1ccc(Br)c(C(=O)O)c1 833374349 YNEOZBRENSWDHX-UHFFFAOYSA-N 284.153 3.525 30 20 CHED C#CCCCCCC=NNc1ccc(F)cc1F 834914809 UJVAQPJKJIFHMX-UHFFFAOYSA-N 250.292 3.946 30 20 CHED C1CC[C@H](ON=C2CCC(OC3CCCC3)CC2)OC1 834966843 PIAUTOKYERCRTQ-LYKKTTPLSA-N 281.396 3.787 30 20 CHED C[C@H](NN=Cc1ccc(Cl)c(Cl)c1)C(F)(F)F 834997176 VUMIXEUGEKCEDM-LURJTMIESA-N 285.096 3.868 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)OC1(CC#N)CCC1 835398936 BJHPUBSTMMHRKN-UHFFFAOYSA-N 272.348 3.507 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 836311497 LXSXPMSLGXHMOY-CQSZACIVSA-N 296.773 3.733 30 20 CHED CCc1cccc(N(C)C(=O)Cc2ccccc2CC#N)c1 837274260 WUXMUMOLWWJWHG-UHFFFAOYSA-N 292.382 3.521 30 20 CHED O=C(C#CC1CC1)N(CCc1cccc(F)c1)C1CCCC1 837462328 RBHTXMXSFJNLLC-UHFFFAOYSA-N 299.389 3.553 30 20 CHED N#C[C@@]1(C(=O)OCCC2CCCC2)CC12CCCC2 837905082 IZIIGFVTUZCFIR-MRXNPFEDSA-N 261.365 3.584 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H](CC=C)c1ccccc1 839038737 LKROMSOLLZWDPC-GOEBONIOSA-N 256.345 3.691 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(F)cc1F 839052979 KBWZDDMLZVXSSY-QWRGUYRKSA-N 279.286 3.512 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)/C=C\c2ccc3[nH]ccc3c2)C1 839055298 NFAHGBBYMOSRLR-QAOXIVLQSA-N 294.354 3.807 30 20 CHED Cc1cccc(CC(=O)O[C@H]2CCC[C@@H](C#N)C2)c1Cl 839060930 ZYMGBSBSAFNTDI-OCCSQVGLSA-N 291.778 3.817 30 20 CHED C=CCC1(C(=O)Nc2cccnc2Cl)CCCC1 839229911 IEGPAXYWRCHMET-UHFFFAOYSA-N 264.756 3.810 30 20 CHED CC(=NNc1nc(C)cc(C)n1)[C@@H]1C[C@H]1c1cccs1 841602113 MJRDJYDEYGKBOS-QWHCGFSZSA-N 286.404 3.746 30 20 CHED Clc1cccc(NN=C2CCCOCC2)c1Cl 841643419 BXSJSFPHWPVEPY-UHFFFAOYSA-N 273.163 3.962 30 20 CHED C#C[C@H](OC(=O)CCCCOC)c1ccc(Cl)cc1F 842352819 GSSTWRJYUDCURD-AWEZNQCLSA-N 298.741 3.513 30 20 CHED C#C[C@@H](OC(=O)CCCC(F)(F)F)c1ccc(F)cc1 842406956 IWCPSEPFXDRGIW-GFCCVEGCSA-N 288.240 3.776 30 20 CHED C=CCCSCCNC(=S)Nc1ccc(C)cc1C 849277943 NCKDURXRNFDGKA-UHFFFAOYSA-N 294.489 3.899 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCC[C@H]([S@](C)=O)C1 850501645 OGESCACRKBGPBO-RCJHGTSTSA-N 285.497 3.791 30 20 CHED CC(C)(C#N)COC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 850935155 DDBPPSWQSLKWGD-JKSUJKDBSA-N 285.387 3.738 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1c[nH]nc1-c1ccccc1 851208389 TUKWRSGOUJHVDU-GFCCVEGCSA-N 297.358 3.562 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)Cc1ccccc1F 851210706 XNTHXIHKEGRKFO-OLZOCXBDSA-N 291.366 3.876 30 20 CHED COc1cccc(SCCN(CCC#N)CC(C)C)c1 851779720 VGZACFQEOJQVFR-UHFFFAOYSA-N 292.448 3.659 30 20 CHED CCc1oc2ccccc2c1C=NOCc1conc1C 853645729 JUQMKGSKKYYGRC-UHFFFAOYSA-N 284.315 3.842 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)N(C)Cc1ccccc1C 853783680 PIIPFEVEUJUTNQ-CYBMUJFWSA-N 297.851 3.828 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N(C1CC1)[C@H](C)C#N 855582366 GLORKPOYYVMWKJ-JATZPVMKSA-N 288.778 3.646 30 20 CHED C#CCCOC(=O)N(Cc1ccco1)Cc1cccs1 858880126 YJIXSGCKPWVWOX-UHFFFAOYSA-N 289.356 3.503 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1nc2ccccc2n1C 860575968 SSUMSARHTCPZPW-LBPRGKRZSA-N 299.374 3.507 30 20 CHED C=C[C@H](OC(=O)[C@H](CCC)OCC)c1ccccc1 860883593 VJQSPNWWSUOYQJ-GJZGRUSLSA-N 262.349 3.662 30 20 CHED FC(F)(F)c1cc(C=NO[C@H]2CCCCO2)cs1 863105970 HLCWNEWLUZGECM-JTQLQIEISA-N 279.283 3.644 30 20 CHED Cc1nc2c(NCc3ccc(C#N)cc3)cccc2o1 864014761 SZTRDXUMCGDRRW-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CC[C@H](CC#N)NC(=O)CCc1cccc2ccccc12 867419992 RAOWWIUYIXETRV-MRXNPFEDSA-N 280.371 3.581 30 20 CHED C=CC(C)(C)CC(=O)O[C@H](c1ccccn1)C(F)(F)F 889656410 YXTRIZBTQPHZBA-GFCCVEGCSA-N 287.281 3.831 30 20 CHED N#Cc1ccc(Oc2cc(C3CC3)nc(C3CC3)n2)cc1 891401727 IVUPBYDUFAWNAZ-UHFFFAOYSA-N 277.327 3.895 30 20 CHED N#C[C@]1(C(=O)Oc2ccc3cnccc3c2)CC12CCCC2 894443411 GTZINIZBAQBQGQ-SFHVURJKSA-N 292.338 3.614 30 20 CHED C=C1CC(c2noc([C@H](C)OCCc3ccccc3)n2)C1 896876335 DNPIXCQZURWDBJ-ZDUSSCGKSA-N 284.359 3.824 30 20 CHED C=CCOc1ccc(-c2nc(C3CC(=C)C3)no2)cc1OC 896890840 XUIHJKAJDTYYDS-UHFFFAOYSA-N 298.342 3.744 30 20 CHED C[C@@]1(C=NNc2cc(F)ccc2F)CCCS1 901321321 WXEVDHHUWSDUTC-LBPRGKRZSA-N 256.321 3.648 30 20 CHED N#Cc1sccc1-c1cccc([C@H]2CCCN2)c1 904894507 JNNYZTHIIZPVNF-CQSZACIVSA-N 254.358 3.711 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(Cl)cccc1OC 906112027 SHYZINPKLGYQQC-JTQLQIEISA-N 267.756 3.889 30 20 CHED C/C(C=NNc1cncc(Cl)n1)=C/c1ccccc1 914560018 MZOTVPIRXLDEGP-QBQHGUDFSA-N 272.739 3.631 30 20 CHED CC(CCc1ccco1)=NNc1ncccc1Cl 917546540 PYXWVZJBDDUMQD-UHFFFAOYSA-N 263.728 3.749 30 20 CHED COc1cc(C)cc2c1OC/C(=C/c1ccsc1)C2=O 920389590 NFPDZYJMBYQNKY-GHXNOFRVSA-N 286.352 3.724 30 20 CHED C#CCCN(Cc1ccccc1O)[C@H](C)c1ccccc1 920415776 LIAFBHSIGZAXRN-MRXNPFEDSA-N 279.383 3.979 30 20 CHED N#Cc1ccc(CNc2cnn(C3CCCC3)c2)cc1F 922621859 FDSXQNFLVWIJOL-UHFFFAOYSA-N 284.338 3.621 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCCO[C@@H](c2ccccc2)C1 932066451 DNJUBQPCZKLVPI-DOTOQJQBSA-N 287.403 3.579 30 20 CHED N#Cc1ccc(C2CCN(CC3CC(F)(F)C3)CC2)cc1 933608183 XEHNYBMVCBXFNL-UHFFFAOYSA-N 290.357 3.783 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(F)cccc1NC1CC1 933935313 QTUKWNQXSMIBIA-LLVKDONJSA-N 276.355 3.941 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 934212158 MYDZDQSOXHJXLF-QWHCGFSZSA-N 290.363 3.683 30 20 CHED N#Cc1ccnc(S[C@@H]2CCc3c(F)cccc32)c1 1116192053 VFFDAVVJHSZDGC-CQSZACIVSA-N 270.332 3.872 30 20 CHED CCCCCCCN1CCC(N(CC)CC)CC1 1116202328 IKGPBVHLSGOASQ-UHFFFAOYSA-N 254.462 3.763 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1116266588 GKKOHTQFMIMMSW-GUDVDZBRSA-N 295.426 3.903 30 20 CHED C/C(=C\C(C)(C)C)c1nnc(COc2ccc(C#N)cc2)o1 1118422937 AXZGBXKCCRJWNP-FMIVXFBMSA-N 297.358 3.970 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C(F)F)n2CC(=C)C)C1 1122455454 ABAAXKAZBXWIOV-GFCCVEGCSA-N 296.365 3.584 30 20 CHED CCc1ccc(NC(=O)c2cc(C#N)ccc2C)cc1 1124378443 MBKIRFGCJIVNCQ-UHFFFAOYSA-N 264.328 3.681 30 20 CHED Cc1ccnc(NC[C@@H]2CCCc3ccccc32)c1C#N 1162552213 XFHLAKPNOIHHOZ-HNNXBMFYSA-N 277.371 3.794 30 20 CHED N#Cc1nc(N2CC[C@@H]2c2ccc(F)cc2)sc1Cl 1163691022 SGYRUUWFVNBDLF-LLVKDONJSA-N 293.754 3.759 30 20 CHED Cc1[nH]nc(NCc2ccc(-c3ccccc3F)o2)c1C#N 1178895372 HFGUKVKGGAPRBN-UHFFFAOYSA-N 296.305 3.601 30 20 CHED COc1c(Oc2ccc(C#N)cn2)ccc2ccccc12 1186492983 YPFJWCAYTKGIDR-UHFFFAOYSA-N 276.295 3.907 30 20 CHED CC(C)C[C@@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 1307000455 ZEISJSIWABCKIV-JTQLQIEISA-N 283.828 3.931 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@H](C3CC3)[C@@H]2C2CC2)n1 1307122667 JOBWWYLLERAOMK-WBVHZDCISA-N 295.430 3.876 30 20 CHED COc1ccc(C#N)cc1CN1CCCc2cc(F)ccc21 1307541017 JUBZLHDVHPKJKC-UHFFFAOYSA-N 296.345 3.659 30 20 CHED COCCN(CCC1(C#N)CCCCC1)[C@@H]1CC[C@H](C)C1 1307737765 WYKXIMOLALIHCV-DLBZAZTESA-N 292.467 3.988 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C#N)s2)ccc1F 1319685316 OJSZNSKGGIYMMU-ZZXKWVIFSA-N 287.315 3.664 30 20 CHED C=CCCCCCOC(=O)C1(c2cccc(C#N)c2)CC1 1320914202 YEQUIRXZGWMWQU-UHFFFAOYSA-N 283.371 3.879 30 20 CHED CCc1ccc(NC(=O)CC#Cc2ccccc2)cc1C 1324763535 HVLDTIWIEXWDAS-UHFFFAOYSA-N 277.367 3.938 30 20 CHED COc1ccc(F)c(N[C@H](CCC#N)c2ccccc2)n1 1329158980 XGIAVIMGEXZJHZ-CQSZACIVSA-N 285.322 3.686 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccc(C(C)C)cc2)ncn1 1334652979 FPUNGSZYKHOWGO-CQSZACIVSA-N 282.391 3.593 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cccc(CC#N)n2)C12CCCCC2 1338243875 LPAMRAUAYHFIKK-HZPDHXFCSA-N 299.418 3.687 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1C[C@H](C)C[C@@H]1CC 1339041189 WECBJCHPLNCFRZ-AGIUHOORSA-N 294.468 3.513 30 20 CHED CC(C)Oc1ccc(Cl)cc1C(=O)N(C)[C@H](C)CC#N 1339161044 IWLCHDMUWSVKQL-LLVKDONJSA-N 294.782 3.501 30 20 CHED CC[C@H](Cc1ccccc1)Nc1cccc(CC#N)n1 1342844887 YWBLPVFHDOYSLN-OAHLLOKOSA-N 265.360 3.581 30 20 CHED N#Cc1cc(C(=O)N2CCCC3(CCCCC3)C2)cs1 1344056540 ZIRCVIHNARAFAT-UHFFFAOYSA-N 288.416 3.806 30 20 CHED CC[C@H](CC#N)OC(=O)[C@@H](C)Sc1ccc(F)cc1 1344581060 WDRKVXXCEFKIIS-ZYHUDNBSSA-N 281.352 3.542 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)CCC(C)(C)C)cc1C#N 1360747136 JDPGLDINJODNKA-ZDUSSCGKSA-N 272.392 3.811 30 20 CHED CCC1(NC(=O)c2ccc(C#N)cc2F)CCCCC1 1436335643 IKQSISBSSNRJKO-UHFFFAOYSA-N 274.339 3.540 30 20 CHED C[C@H]1CC(=NC(=O)C2(C3CCCCC3)CCCCC2)NO1 1447229694 CXXQCXLHRNPXER-ZDUSSCGKSA-N 292.423 3.756 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@H]1CCC)c1ccncc1 1527473811 JITCLNSKLQYTAT-CVEARBPZSA-N 287.407 3.673 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)cc2F)C1 1530481509 ZMEWYQBUPNOBHI-UONOGXRCSA-N 288.366 3.642 30 20 CHED Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ncc1C#N 1537723705 XMJZTWSAHCTPFY-UHFFFAOYSA-N 293.370 3.812 30 20 CHED C=C[C@@H](C(=O)N1CCCC[C@H]1C(F)F)c1ccccc1 1548700942 HVTGRPZRYNJIOH-KGLIPLIRSA-N 279.330 3.602 30 20 CHED Cc1cc(N[C@H](C)c2cccc(C#N)c2)ccc1C(=O)O 1600279785 PDSXEZVGBYFFEX-GFCCVEGCSA-N 280.327 3.738 30 20 CHED N#Cc1ccc(SCc2ccc(C(=O)O)o2)c(Cl)c1 1601113408 CAGPOHCKWJYYEP-UHFFFAOYSA-N 293.731 3.795 30 20 CHED CCN(Cc1occc1C)c1cccc(F)c1C#N 1612497249 DLUCKVCNUFMQDN-UHFFFAOYSA-N 258.296 3.625 30 20 CHED CC[C@@H](C)Oc1cccc(N[C@H](C)CC(C)(C)C#N)n1 1621490073 SGOVRFPOIIWZAH-CHWSQXEVSA-N 275.396 3.999 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Nc1cccc(C#N)c1)C2 1622820411 PEMLTVDUJBHRSV-JOQOYGCGSA-N 297.402 3.895 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)NCC(C)(C)C#N)CC(C)(C)C1 1634161433 XQXJKRSIDRXFBW-ZIAGYGMSSA-N 293.455 3.688 30 20 CHED CCc1nc(C#N)cc(NCCc2ccc(C(C)C)cc2)n1 1639143815 WLECCLAOFVNZHK-UHFFFAOYSA-N 294.402 3.689 30 20 CHED Cc1nc(NCC2(c3ccc(F)cc3)CCC2)ccc1C#N 1639393047 DJKZWLUHIABZGQ-UHFFFAOYSA-N 295.361 3.935 30 20 CHED Cc1cc(N(C)CC(C)C)n2c(nc3ccccc32)c1C#N 1655066673 VPVPQSPZXDNWDS-UHFFFAOYSA-N 292.386 3.760 30 20 CHED CCC(C)(C)c1ccc(CN=c2cc(C)[nH]cc2C#N)cc1 1655305938 SPGZXCLGTRZAHT-UHFFFAOYSA-N 293.414 3.983 30 20 CHED Cc1cc(N[C@@H](C)c2cn(C(C)(C)C)nc2C)ncc1C#N 1655351231 NZGHUDGAYTUXMR-LBPRGKRZSA-N 297.406 3.695 30 20 CHED CC[C@@H](Cc1ccccc1)NCc1ccc(C#N)c(C)c1 1655500963 PSEKMEYSHUWUAG-IBGZPJMESA-N 278.399 3.978 30 20 CHED O=C(O)c1ccc(NN=Cc2cccc3ccoc23)cc1 1776012709 LFTSKDQTCFEOHB-UHFFFAOYSA-N 280.283 3.577 30 20 CHED CCc1ccc(CCC=NNc2ccc(C(=O)O)cc2)cc1 1776013135 BVQFLRGULGVPAQ-UHFFFAOYSA-N 296.370 3.978 30 20 CHED O=C(O)c1ccc2scc(C=NOC/C=C/Cl)c2c1 1776080722 XVOQVBLIHGKTEP-FVYUFWRISA-N 295.747 3.703 30 20 CHED C=CCCCCN1CCC([C@H]2CCC[C@H]2C(=O)O)CC1 1776207725 HQRAQTVKJUMRKM-HZPDHXFCSA-N 279.424 3.556 30 20 CHED C[C@@H]1/C(=C/c2cccc(C(=O)O)c2F)C(=O)c2ccccc21 1777408029 SYHGTCQGULMMID-QNKACBJSSA-N 296.297 3.907 30 20 CHED C=CCNC(=S)N[C@@H](c1ccc(Cl)cc1)C(C)C 10949696 GSGRHGPJRATKTK-CYBMUJFWSA-N 282.840 3.687 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1C 11286571 BCLXKCPMEVGYNF-SOFGYWHQSA-N 297.310 3.808 30 20 CHED COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 20096734 YDGIVMQZINCBDV-UONOGXRCSA-N 280.371 3.979 30 20 CHED Cc1cc(C)c(C#N)c(NCc2cccc(Cl)c2)n1 22797951 VAFKWVSJXCXFSZ-UHFFFAOYSA-N 271.751 3.836 30 20 CHED N#Cc1c(F)cccc1NCc1ccc2ccccc2n1 36157865 CAGPIMZQEVEYHH-UHFFFAOYSA-N 277.302 3.858 30 20 CHED COc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1F 37498163 GRZPOARKQSNHOX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#CCc1cccc(C(=O)NC2CCCCCCC2)c1 42200493 WVOMYDCYXCYKGH-UHFFFAOYSA-N 270.376 3.595 30 20 CHED N#Cc1cc2c(nc1NC1CCCCCC1)CCC2 42245798 YTKGJNWMGUQIMX-UHFFFAOYSA-N 255.365 3.577 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCCC1)c1cccc(Cl)c1 44385589 XUXSLBUQFRJSJV-GFCCVEGCSA-N 290.794 3.991 30 20 CHED Cc1cc([C@@H](C)NCc2cc(C#N)ccc2F)c(C)o1 44730551 VACZKYBYHAIMRC-LLVKDONJSA-N 272.323 3.758 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)CC2CCCC2)cc1C 48518033 CQGOUMILKAODAC-UHFFFAOYSA-N 295.404 3.529 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1ccc(C#N)cc1F 49943068 ZOGURXMFUWBGIT-LLVKDONJSA-N 286.375 3.878 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccsc2)cc1 63496614 AEBQCNSBPWAGMT-UHFFFAOYSA-N 270.357 3.617 30 20 CHED N#Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O 65341651 MFSBQMJFMSWPBN-UHFFFAOYSA-N 279.217 3.829 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@]12CCC[C@H](C)C2 66131440 XNGLVGAWDYTWKM-GUYCJALGSA-N 270.376 3.647 30 20 CHED CS[C@@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N 66800635 LSJGPPXAZOQPLI-MNOVXSKESA-N 294.445 3.771 30 20 CHED N#CCCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66851186 BCIFUOOYSBBVGJ-AWEZNQCLSA-N 299.201 3.670 30 20 CHED C=CCN(CCc1ccccc1)[C@@H](C)c1ccncc1 75673966 KWJZAVNEZQJRAA-INIZCTEOSA-N 266.388 3.873 30 20 CHED N#Cc1ccccc1NC(=O)CCc1ccc(Cl)cc1 78232709 AJRRZODBQGVVGR-UHFFFAOYSA-N 284.746 3.783 30 20 CHED CC[C@H](C)Oc1ccccc1/C=C/C(=O)O[C@@H](C#N)CC 84697743 FNSKFUYMTZXECP-VLMQMFMZSA-N 287.359 3.722 30 20 CHED O=C(/C=C/c1cccs1)c1cc(F)cc(F)c1 88305110 HMMWWTOYZUOJKP-ONEGZZNKSA-N 250.269 3.922 30 20 CHED C=CCn1c(S[C@@H](C)CCOC)nc2ccccc21 88484922 WYSRTRWHQZXMRF-LBPRGKRZSA-N 276.405 3.739 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc(C)ccc1OC(F)F 90450735 KNWOMIXQDQPNMS-ZDUSSCGKSA-N 299.361 3.840 30 20 CHED CC(C)(C)c1cc(NC(=O)c2ccncc2)c(C#N)s1 91208108 RRBKGNVWILDGTB-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C=CCOc1ccc(CN(CC)C[C@@H](C)C#N)cc1Cl 91982389 HCFBWTDVYYIRKQ-ZDUSSCGKSA-N 292.810 3.886 30 20 CHED Cc1ccc([C@H](C)Nc2snc(C)c2C#N)s1 92912556 SAXLWJZJGXVXDU-VIFPVBQESA-N 263.391 3.866 30 20 CHED N#Cc1ccc2[nH]c(-c3cccc(OC(F)F)c3)nc2c1 96874421 FETPCXLFBQIVLK-UHFFFAOYSA-N 285.253 3.703 30 20 CHED CCCCCCC[C@@H](C)NC[C@H]1CCN(C2CC2)C1 103028042 NQTULGVNJSFIGW-HZPDHXFCSA-N 266.473 3.809 30 20 CHED CC(C)N(CCC#N)C(=O)CC12CC3CC(CC(C3)C1)C2 112204161 DSLGUPOXTAGLMR-UHFFFAOYSA-N 288.435 3.744 30 20 CHED N#Cc1ccccc1Oc1nc2cc(F)ccc2o1 114446070 ZDBHPXSEBOIOPK-UHFFFAOYSA-N 254.220 3.631 30 20 CHED C=CCN(C)CC(=O)Nc1c(C(C)C)cccc1C(C)C 121598463 BTDXXWDHPARPTC-UHFFFAOYSA-N 288.435 3.990 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cc2c(s1)CCCCC2 122192284 NQCYNKPCZWHUNL-INIZCTEOSA-N 290.432 3.685 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)s1 124002259 ZFYOHFLSYGKXEQ-NSHDSACASA-N 272.373 3.518 30 20 CHED COc1ccc(CNc2ccccc2OC(C)C)cc1C#N 124980306 QEOXUWPQHPWLNN-UHFFFAOYSA-N 296.370 3.966 30 20 CHED CC[C@@H](C#N)Sc1nc2cc(Cl)ccc2o1 127072307 IBIRKVMJBIDKCQ-QMMMGPOBSA-N 252.726 3.875 30 20 CHED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CC2CCCCC2)c1 127517085 OQIJTJKBFKSLIP-MRXNPFEDSA-N 298.386 3.613 30 20 CHED COc1ccc(C#N)cc1CN[C@@H]1CCCCC1(C)C 130359848 XFGJAHOONOZNLL-MRXNPFEDSA-N 272.392 3.625 30 20 CHED C=C(C)COc1cccc(NC(=O)NC(C)(C)C)c1 130528681 FIZJYCHVJROEML-UHFFFAOYSA-N 262.353 3.562 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(F)cc2C#N)C1 133777641 WHCHXTUNAFNVBM-RISCZKNCSA-N 289.354 3.740 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](C)SC)c1ccccc1 133981924 ZXTBSVONWIBPQU-OCCSQVGLSA-N 263.406 3.562 30 20 CHED C=CCCC1=NN=C(Nc2ccccc2F)SC1 134436773 NXJVFPFBUGRYAM-UHFFFAOYSA-N 263.341 3.663 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1Cl 135155583 APUZVZKUOUTEKE-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCc1cc(C(=O)Nc2ccccc2)cc(OC)c1OC 138079889 OEBFUXOBSNCURO-UHFFFAOYSA-N 297.354 3.685 30 20 CHED CCCCCCCC(=O)OCC(=O)c1ccccc1 138934092 XZARLYHZVBCSEF-UHFFFAOYSA-N 262.349 3.773 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(Cl)nc1 151562240 BOPVTFGQVHVKBV-UHFFFAOYSA-N 265.740 3.547 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(C)c1 152834357 XPVDSJMVTSECEU-AWEZNQCLSA-N 291.391 3.702 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(F)c(Br)c1 161746999 IMVDIHUAWDUFGZ-QMMMGPOBSA-N 292.579 3.991 30 20 CHED C=CC1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 171882363 AKKBTSIYWHWQIT-UHFFFAOYSA-N 293.794 3.534 30 20 CHED C#CCCCNC(=O)c1occc1CSc1ccccc1 172945304 YVIRHKXWDKLHDU-UHFFFAOYSA-N 299.395 3.715 30 20 CHED C[C@@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173328744 WAUJYGUDKXSFST-CKLFPEKLSA-N 297.185 3.515 30 20 CHED Cc1cccc([C@H](C)S(=O)(=O)Cc2ccccc2C#N)c1 173900658 IVLRMABIJDQXIL-AWEZNQCLSA-N 299.395 3.543 30 20 CHED Cc1ccccc1CC(=O)O[C@@H](C)c1ccc(C#N)cc1 175761756 DFKODCVPGOTRHA-AWEZNQCLSA-N 279.339 3.714 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OC)c2ccccc12 175781486 WUMHXKPVUMFLFF-UHFFFAOYSA-N 283.371 3.887 30 20 CHED N#Cc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)s1 176405925 MSBRQQCRUJLIBA-JXMROGBWSA-N 299.326 3.808 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)[C@H](C)c1ccccc1 176981233 UMEYRMKYIUZANZ-QWHCGFSZSA-N 270.401 3.902 30 20 CHED N#Cc1cccc(SCc2nc(-c3cccs3)no2)c1 177110658 AKMSULYHWUOLRF-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C=CCCCC(=O)Nc1cc(C(C)=O)ccc1Cl 177674889 YCCRVELPICOFTE-UHFFFAOYSA-N 265.740 3.837 30 20 CHED CCC[C@H](C)NCCSCc1ccccc1C#N 177821779 OVEIQYSNIHOEMM-ZDUSSCGKSA-N 262.422 3.570 30 20 CHED C#CCCCN[C@@H](C)c1cccc(C(F)(F)F)c1 178058992 XXSZMLHNSSOKOH-NSHDSACASA-N 255.283 3.769 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)C1CC1 178483016 SMZVXLAPTSOQAW-RYUDHWBXSA-N 288.416 3.923 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1C1CCC1 178572591 BJCQGYRNKSBBRG-MRXNPFEDSA-N 283.375 3.663 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ncccc1C#N)CCC2 179236629 QADMASRYZDJDAG-MRXNPFEDSA-N 263.344 3.751 30 20 CHED C#CCCCNC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 179853640 DEINSXDEKSNMQA-IAGOWNOFSA-N 293.451 3.672 30 20 CHED Cc1c(Cl)ccc2ccc(N3CCC(C#N)CC3)nc12 179974071 UCGDFRLHRMGURB-UHFFFAOYSA-N 285.778 3.937 30 20 CHED CCC[C@H](CN(CCC#N)CCC#N)c1ccccc1 180040815 LDRDCTYBFPENKU-QGZVFWFLSA-N 269.392 3.700 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccccc1O[C@@H](C)C#N 180204667 XMBHCWBCGDNUAS-HZSPNIEDSA-N 258.365 3.990 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1C#N 180975392 NUWUEWFSKISGBH-WDEREUQCSA-N 278.783 3.857 30 20 CHED Cc1cccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 182113542 IMKHQYRYDRWHPK-ZDUSSCGKSA-N 280.327 3.538 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N[C@@H](C#N)C2CCCCC2)cc1 182295377 UPNDLTFXSDGYMO-QAPCUYQASA-N 298.430 3.762 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccccc1 182390243 MESVQJYABIHBCD-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED CC[C@@H](NCc1ccc(F)cc1C#N)c1c(C)noc1C 182458155 QAGLPIOMSLUFJU-OAHLLOKOSA-N 287.338 3.543 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 183341198 NFNHSXQSLNNXSP-HNNXBMFYSA-N 272.392 3.627 30 20 CHED Cc1ccc2oc(C(=O)OCC3(C#N)CCCCC3)cc2n1 183682641 CTACMQDDYRZIJI-UHFFFAOYSA-N 298.342 3.767 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc(Cl)ccc1OC(C)C 183818857 RKNGZSONGFNFHC-GFCCVEGCSA-N 294.782 3.549 30 20 CHED CCCCCOc1ccc(C(=O)N[C@H](CC)CC#N)cc1 183830636 RUTOEDFTGJZDEG-OAHLLOKOSA-N 288.391 3.678 30 20 CHED N#CCc1ccc(NC(=O)C2=CCCCCC2)cc1 185271850 KOCSGXNUXIYQPM-UHFFFAOYSA-N 254.333 3.582 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2csc(-c3ccccc3)n2)C1 185799755 JYQVJVTVVJORQB-HIFRSBDPSA-N 297.427 3.982 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CCC[C@H]1C 185908102 OOAPBQBMFMFRCW-CRAIPNDOSA-N 296.414 3.899 30 20 CHED C#C[C@H](C)NC(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 186044830 BWIPSSGZXUBIBW-UONOGXRCSA-N 298.386 3.937 30 20 CHED CC(C)Oc1ccc(CN(C)[C@@H](C)CC#N)cc1Cl 187941174 QFWZEFMUBAKNFT-LBPRGKRZSA-N 280.799 3.861 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 188480774 XDSHPPOWCAXLSO-JKIFEVAISA-N 259.393 3.897 30 20 CHED CCC(C)(C)c1ccc(CNCc2cc(C#N)n(C)c2)cc1 191467150 GEUYVLXOTLTJTE-UHFFFAOYSA-N 295.430 3.874 30 20 CHED C=CCCCCCn1cc(CCCO)c(C(F)(F)F)n1 195394148 CSROKTCYBQZVHR-UHFFFAOYSA-N 290.329 3.573 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1[N+](=O)[O-] 208023813 JWVHSBGSRWAGNE-VURMDHGXSA-N 283.283 3.505 30 20 CHED COCCC(C)(C)CNc1cccc(Cl)c1C#N 234712134 DKSWTUZXAPOPTJ-UHFFFAOYSA-N 266.772 3.686 30 20 CHED COc1cc(CNc2ccc3ncsc3c2)ccc1C#N 235011746 GZFJGZIKROLVIB-UHFFFAOYSA-N 295.367 3.789 30 20 CHED N#Cc1cc(F)ccc1CN1CCS[C@H]2CCCC[C@H]21 246076656 DKAHNSRLZNKLLK-CVEARBPZSA-N 290.407 3.557 30 20 CHED C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(C#N)cc1 246386551 HJUYZLBLAGQPDU-OKDNKWQNSA-N 296.414 3.557 30 20 CHED CCCc1csc(NC(=O)/C=C\c2ccccc2C#N)n1 255237906 CKRCBTVGFFDFSE-HJWRWDBZSA-N 297.383 3.619 30 20 CHED CCOc1ccc(C=NOCc2ccc(F)cc2F)cc1 255722239 ZGBRHMJUMUQYPB-UHFFFAOYSA-N 291.297 3.914 30 20 CHED C=CCN(Cc1ccc(C(=O)O)cc1)CC1CCCCC1 263577680 RSFXOXOFCBAOMT-UHFFFAOYSA-N 287.403 3.953 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 268018168 RFBXIAGAMBYRKG-KBPBESRZSA-N 293.432 3.519 30 20 CHED Cc1cc(N[C@H](C)c2cccc(Cl)c2)nn1CCC#N 271010857 JQKNFNWRBDMDME-GFCCVEGCSA-N 288.782 3.932 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N(C)c2ccccc2C#N)cc1 272613090 SCZHODBWONAXLN-HNNXBMFYSA-N 292.382 3.708 30 20 CHED N#CCCCNC(=O)N[C@@H](c1ccccc1)C1CCCC1 273540084 LGTGPFGEVIOQQU-INIZCTEOSA-N 285.391 3.521 30 20 CHED C=CCC[C@@H](C(=O)Nc1c(C)noc1C)c1ccccc1 275037318 UPPUDWOGBURIOQ-OAHLLOKOSA-N 284.359 3.980 30 20 CHED C[C@@H](CC#N)N[C@H](C)c1ccc(C(F)(F)F)cc1 276237889 ORSLVXDXEUBSGI-VHSXEESVSA-N 256.271 3.658 30 20 CHED CCNC(=O)c1ccc(OCCCCC(C)(C)C#N)cc1 277721472 OJJSUTIHIRTMSB-UHFFFAOYSA-N 288.391 3.535 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2nccs2)CCCC1(C)C 277904678 OIAQKALGEZWBOC-NSHDSACASA-N 279.409 3.742 30 20 CHED CC(C)(C)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)c2ccccc21 278365210 HVJROVPRMXYHBD-CQSZACIVSA-N 293.370 3.676 30 20 CHED CC(C)(C#N)CC(=O)N(CC1CCC1)c1ccccc1 278912069 CFJOBRPRRFESDN-UHFFFAOYSA-N 270.376 3.760 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)C(C)(C)C)c(C)cc1Cl 280069117 XIUFWHBAFNQRSW-CYBMUJFWSA-N 278.783 3.625 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn([C@@H](C)CC)c1C1CC1 281355336 MIKLSMSPFFYRJC-JSGCOSHPSA-N 289.423 3.816 30 20 CHED C=C(Cl)CNC(=O)CC(C)(C)CC(=O)c1ccccc1 281761511 JODIIWFLPFZCFX-UHFFFAOYSA-N 293.794 3.544 30 20 CHED N#CC1(CCCN2CCCc3ccccc32)CCOCC1 281962262 KPCUQCCBMAVUCB-UHFFFAOYSA-N 284.403 3.540 30 20 CHED C=CCC[C@@H](CCC)N[C@H]1CCO[C@@H]1c1cccnc1 284579370 JFAXPJKHNVIYNH-IXDOHACOSA-N 274.408 3.636 30 20 CHED CC[C@@H](C)CCC(=O)Nc1ccccc1O[C@H](C)C#N 285786610 KNYXRTPHSNCGBG-CHWSQXEVSA-N 274.364 3.742 30 20 CHED C=CCOc1ccccc1-c1nc([C@@](C)(CC)OC)no1 290573532 VKTNIBOCPFTVJV-MRXNPFEDSA-N 288.347 3.573 30 20 CHED CCCn1ccc2cc(NC(=O)CCCC#N)ccc21 292255798 HOODXXIHKHKYNW-UHFFFAOYSA-N 269.348 3.684 30 20 CHED C#CCCCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 293859697 GLGPXRMVYIJXOX-KRWDZBQOSA-N 267.372 3.544 30 20 CHED C#CCCCCNC(=O)c1oc2ccccc2c1CC 295109987 LEAVYFZUNRNKFO-UHFFFAOYSA-N 269.344 3.529 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)C=C2CCC2)s1 297804131 OTYXEAAUXYPTCN-UHFFFAOYSA-N 274.389 3.966 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 301104880 JBUSISKPBOWDKJ-KBXCAEBGSA-N 278.355 3.525 30 20 CHED CC(C)N(CCCNc1ccc(F)cc1C#N)C(C)C 301452495 USUZOUIYYUPTCF-UHFFFAOYSA-N 277.387 3.618 30 20 CHED C[C@@H]1c2ccccc2CCN1c1ccc([N+](=O)[O-])cc1C#N 301483957 GJGVTCZSALZCMP-GFCCVEGCSA-N 293.326 3.590 30 20 CHED N#Cc1ccc2nc(NCc3cccs3)ccc2c1 301803896 DIIPGSFVFCWJOY-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C[C@@H]1CCN(c2c(Cl)cccc2C#N)CCS1 302731554 MLLDOOGWKCUMTC-SNVBAGLBSA-N 266.797 3.543 30 20 CHED CCN(CCCC(C)(C)C#N)C[C@H](O)c1ccc(C)cc1 304522851 KPUVLIQXNIEJEG-KRWDZBQOSA-N 288.435 3.680 30 20 CHED C=CCCCCN[C@H](C)c1ccc(OC)c(F)c1 310930084 SYOIPAHVKJRSAM-GFCCVEGCSA-N 251.345 3.841 30 20 CHED C=CCCCCCCNc1nccnc1C(F)F 310970891 RHAAQYKWCCXJFP-UHFFFAOYSA-N 255.312 3.963 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccccc2C#N)c1 311571275 AMXRLJAWRBKHDX-UHFFFAOYSA-N 268.703 3.662 30 20 CHED O/C(=N/C[C@@H]1CCC2(CCCCC2)O1)C1(O)CCCCC1 330159009 QGVYQGSZQHDVGN-AWEZNQCLSA-N 295.423 3.520 30 20 CHED CC1(C)CCC[C@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 331052336 IZLJCGKYNKTEFN-HZPDHXFCSA-N 284.403 3.769 30 20 CHED Cc1nnc([C@H](C)Sc2ccc(C#N)c(C)c2)s1 335472281 VWIHJCUYANMBQM-VIFPVBQESA-N 275.402 3.880 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc(C#N)c(Cl)c1 335867726 AXJRDNYPGUNIAI-UHFFFAOYSA-N 295.729 3.530 30 20 CHED Cc1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1Cl 336136095 GOBMZQBHIQRCJT-UHFFFAOYSA-N 279.771 3.662 30 20 CHED N#CCC1CCN(c2nc3cccc(F)c3s2)CC1 336195411 OIQWGPNUJLEBTJ-UHFFFAOYSA-N 275.352 3.565 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(-c2cccs2)c1 336249558 RKMKNZVLAGHVNK-BZNIZROVSA-N 282.368 3.903 30 20 CHED Cc1ccc2cccc(NC(=O)N(C)CC(C)(C)C#N)c2n1 336416794 MJLHPDPQJBIFRR-UHFFFAOYSA-N 296.374 3.557 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(F)cc1 341756594 FULNIJUBNDNOPV-GOSISDBHSA-N 280.346 3.865 30 20 CHED C=CCCOCCCCC(=O)N[C@H](C)c1ccccc1 342622773 KASSERPAQSHGLW-OAHLLOKOSA-N 275.392 3.627 30 20 CHED C[C@@H](SCc1ccc(CC#N)cc1)c1cnccn1 342744878 UPFJWAXZYAAQDH-GFCCVEGCSA-N 269.373 3.537 30 20 CHED C=CCCN(C)C(=O)c1ccc(N(CC)C(C)C)cc1 344268739 WZBOOFGKOUUIMP-UHFFFAOYSA-N 274.408 3.569 30 20 CHED N#CC1(CSCCOc2ccccc2Cl)CC1 344487746 UYYAGTGYCJTLBF-UHFFFAOYSA-N 267.781 3.756 30 20 CHED CC(C)CN(Cc1ccccc1)c1ncccc1C#N 346437170 WZOJZRFNSAGGSS-UHFFFAOYSA-N 265.360 3.616 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1c1nc([C@@H](C)c2cccs2)no1 346600906 DYEOAUMYHDKWAU-LOWVWBTDSA-N 290.388 3.732 30 20 CHED Cc1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)on1 346782088 SDQVMWPOHOYPFN-UHFFFAOYSA-N 283.375 3.513 30 20 CHED C=CCCN(C)C(=O)c1ccc2c3c(cccc13)CC2 346852171 KBUJQMHQKSEXAJ-UHFFFAOYSA-N 265.356 3.587 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CC[C@@H](C)C[C@H](C)C1 351113860 IQZITOIRHKYZQQ-KGLIPLIRSA-N 288.439 3.604 30 20 CHED C=C[C@H](CO)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 353570138 DGNDZZXFTRHKMU-MFKMUULPSA-N 274.191 3.581 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc(F)ccc1C 354255010 PTXRGHDTIBQYDY-UHFFFAOYSA-N 287.334 3.598 30 20 CHED CC(C)CN(C(=O)C[C@H]1C[C@H]1C)c1ccc(C#N)cc1 357944732 ILMIVRZYTVXMPQ-UKRRQHHQSA-N 270.376 3.593 30 20 CHED CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 358642705 ASHINWKIYPHCQN-CQSZACIVSA-N 271.364 3.601 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(O)c(OCC)c1 398210272 ZUNHMMUQERWRNG-CYBMUJFWSA-N 263.381 3.625 30 20 CHED CC1(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 401300002 DFGWJRZBDOITSY-UHFFFAOYSA-N 282.265 3.706 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC23CCCC3)cc1F 404702366 ZJBGEOHHBAMEEN-INIZCTEOSA-N 272.367 3.900 30 20 CHED O=C(NCC#Cc1ccccc1)c1cccc(C2CCC2)c1 409581958 XEULRRARKSEKNB-UHFFFAOYSA-N 289.378 3.736 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C 410275022 WNNYZCAATLNVJO-HNNXBMFYSA-N 278.371 3.740 30 20 CHED N#CC1(CCN2CCC(c3ccncn3)CC2)CCCCC1 411835583 TVPJOUZDFSLTGZ-UHFFFAOYSA-N 298.434 3.520 30 20 CHED N#CC1(COc2ccc(Cl)c(F)c2F)CCC1 413015548 TUWMZWHGVRENKM-UHFFFAOYSA-N 257.667 3.691 30 20 CHED CC1(C)Cc2cccc(Oc3ncc(C#N)cc3F)c2O1 413027149 XXZORGKIAGAXRD-UHFFFAOYSA-N 284.290 3.598 30 20 CHED CCC1(c2ccccc2)CN(c2ccc(Cl)c(C#N)n2)C1 413462085 WIRBYNLRMMDGPG-UHFFFAOYSA-N 297.789 3.775 30 20 CHED C=CC1CCN(C(=O)N[C@H](CC)c2ccccc2)CC1 413647555 KCVDNLNMNUHTKK-MRXNPFEDSA-N 272.392 3.745 30 20 CHED CO[C@](C)(C1CC1)[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 414224744 AZACAGSWFFWTID-QFSBIZTOSA-N 290.382 3.552 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C1=CCCCCC1 416092067 BFQKRUGYOQAXGE-GOSISDBHSA-N 294.398 3.942 30 20 CHED CCC[C@@H](C(=O)NCc1ccc(C#N)s1)c1ccccc1 421598610 AXSZRPPRABJPGT-MRXNPFEDSA-N 298.411 3.820 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 426053364 WQTJGMUSCOKKRN-CYBMUJFWSA-N 294.354 3.988 30 20 CHED C=CCN(C/C=C\c1ccc(Cl)cc1)CCC#N 428846232 BJXSAJDOCWFORN-HYXAFXHYSA-N 260.768 3.755 30 20 CHED C=C(C)CNC(=O)Nc1ccc(C(F)(F)F)c(C)c1 429342984 FIROTCJAUARCSC-UHFFFAOYSA-N 272.270 3.711 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(F)cc1 433128912 MQAJAGXKGQNIQT-AWEZNQCLSA-N 282.318 3.537 30 20 CHED Cc1cc(OCC(=O)CCC2CCCC2)ccc1C#N 434650423 MTHKPRMHGIHWDD-UHFFFAOYSA-N 271.360 3.785 30 20 CHED N#Cc1cccc(N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)n1 435573198 GDRUAZDZXHFWIL-SMDDNHRTSA-N 287.725 3.714 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C)cc(C)c1 436285029 NFMJLPQFNCXTGU-NUJGCVRESA-N 273.420 3.935 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 442618192 QBTPSOTUVNVQNG-OAHLLOKOSA-N 294.782 3.839 30 20 CHED CC(C)(C)C[C@H](N[C@H]1CC[C@H](C#N)C1)C(F)(F)F 442831462 WIAUWGFLMCZYDB-DCAQKATOSA-N 262.319 3.635 30 20 CHED Cc1cc(CN[C@H](C)Cc2cccs2)ccc1C#N 443961928 IHEYAXKHIMJOPF-CYBMUJFWSA-N 270.401 3.649 30 20 CHED CCc1c(N[C@H]2CCC[C@@H](C#N)C2)cnn1CCC(C)C 446976965 KFPLLOBVRFZYPY-CABCVRRESA-N 288.439 3.986 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 448642119 ZYAFOSKSDXBHSF-IPYPFGDCSA-N 275.417 3.699 30 20 CHED Cc1nnc(-c2cccc(NC3CCC(C)(C#N)CC3)c2)o1 449054816 IFQIPZRDDMRXTE-UHFFFAOYSA-N 296.374 3.929 30 20 CHED C=CCC1(C(=O)Nc2cccc(C#N)c2)CCCC1 449063565 MXFABBXNZAKBMQ-UHFFFAOYSA-N 254.333 3.633 30 20 CHED C[C@H](CCc1ccsc1)NCc1ccc(C#N)c(F)c1 449736459 MRFFINXEOSGLQA-GFCCVEGCSA-N 288.391 3.870 30 20 CHED CC(C)[C@H]1N(Cc2ccc(C#N)o2)CC12CCCC2 449791605 POFYBAUOZWZRPV-OAHLLOKOSA-N 258.365 3.552 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1C 450122164 ZPJUJQGCOOIPRO-MFKMUULPSA-N 299.292 3.543 30 20 CHED C=C[C@@H]1OCC[C@H]1NCCCc1cccc2ccccc12 451605269 JDZLNARLRMXVPD-MOPGFXCFSA-N 281.399 3.706 30 20 CHED C=CCCc1noc(Cc2c[nH]c3cccc(OCC)c23)n1 453232093 JBUQRVMMDGVKNQ-UHFFFAOYSA-N 297.358 3.659 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1cc2ccc(C)cc2o1 453375304 WLDYAMQEAMBFJQ-UKRRQHHQSA-N 273.376 3.719 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCCC2=O 455709639 HQMWUOBUCJXMCM-HNNXBMFYSA-N 298.386 3.778 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(C)cc(C#N)c1 455950883 GOTDBCQFVVEWAJ-SWLSCSKDSA-N 271.364 3.662 30 20 CHED CCC[C@](C)(CC)C(=O)NCc1ccc(C#N)c(F)c1 456839093 OHXCPEPYQRMJGV-INIZCTEOSA-N 276.355 3.530 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC2(CCCC2)[C@H]1C(C)C 457134890 FSSXEEXQGBOUGE-QGZVFWFLSA-N 296.414 3.908 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)CCCCC1 458275863 GFTCOQXSUZFQQN-ILXRZTDVSA-N 261.409 3.818 30 20 CHED CC(C)(CC#N)CN[C@H]1CC[C@H](Cc2ccccc2)C1 459730418 MBKRUVBPNKYSFV-SJORKVTESA-N 270.420 3.927 30 20 CHED C=C(C)Cn1c(N2CCCCCC2)nnc1C(C)(C)C 460944314 QQZOFKSXFZSOCV-UHFFFAOYSA-N 276.428 3.532 30 20 CHED C[C@@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1 461762789 MZQCJWPIXQVUNH-LSDHHAIUSA-N 292.382 3.582 30 20 CHED CC[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1cccs1 461925036 ZENIRYVUZXNYDK-SWLSCSKDSA-N 298.411 3.991 30 20 CHED C[C@H](CNc1nc2c(cc1C#N)CCC2)Cc1cccs1 462908203 AIFCWGOJFSHOEJ-LBPRGKRZSA-N 297.427 3.794 30 20 CHED CN(CC[C@@H]1CCCCN1C)c1c(Cl)cccc1C#N 463077563 QNGSPAKMCCNMKW-AWEZNQCLSA-N 291.826 3.522 30 20 CHED CC#CCSCc1csc(Cc2ccccc2)n1 464093577 HWVVAFGCUTZFQY-UHFFFAOYSA-N 273.426 3.990 30 20 CHED CC1(CC(=O)N[C@@](C)(C#N)C(C)(C)C)CCCCC1 464157122 COKNODVPPABHGT-INIZCTEOSA-N 264.413 3.791 30 20 CHED C=CC[C@@H](CC)NC(=O)N1Cc2ccccc2C(C)(C)C1 466387522 FDQHSWSXLGKBCA-OAHLLOKOSA-N 286.419 3.844 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CCC[C@@H]1C 466700600 UCCIMHVYQUALCT-LSDHHAIUSA-N 266.429 3.810 30 20 CHED C=CC[C@@H](CO)CNC1CCC2(CCCCC2)CC1 466741091 LXGHHSCBPMMXJI-OAHLLOKOSA-N 265.441 3.654 30 20 CHED C=CCCN(C)[C@@H](C)c1ccc(OC(F)F)cc1 467286687 YKRKTWIXQLXICA-NSHDSACASA-N 255.308 3.857 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCO[C@@H](CC)C2)CCCC1(C)C 470295403 DWEUTCQXWVSCBD-JYJNAYRXSA-N 293.451 3.785 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(CC)ccn1 470643814 YDCUBYYRQAXCSH-UHFFFAOYSA-N 294.398 3.863 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CC[C@@H](C)C1)c1ccccc1 478129291 BVRBPSVXQCUTIE-VYDXJSESSA-N 271.404 3.899 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nc(C2CC2)ns1 480548332 DWNOGYJLQAPUTF-UHFFFAOYSA-N 285.416 3.998 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(CC)C[C@@H](C)C#N 484389612 YKEXWTQZZPXXIQ-HOCLYGCPSA-N 278.440 3.991 30 20 CHED Cc1cc(CN2CC[C@@H]2c2ccccc2)ccc1C#N 488442818 ASWVXPMAKFBYTE-GOSISDBHSA-N 262.356 3.814 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1 488846811 VHELTVLOJLFOTK-AWEZNQCLSA-N 293.794 3.676 30 20 CHED C=CCN(C)C(=O)c1ccc(Cl)cc1C(F)(F)F 490927265 NTZMEVPZOPYUKS-UHFFFAOYSA-N 277.673 3.617 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(C(F)(F)F)cc1Cl 491315959 REOLKRKZTVIMKK-SECBINFHSA-N 289.684 3.500 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(C(F)F)ccc1Cl 491736545 NNCJDEYXLLMKIA-QMMMGPOBSA-N 286.709 3.763 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)CC1(F)F 494220558 QYXXCEZEQLANND-SNVBAGLBSA-N 284.737 3.689 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@H](C)c1ccc(F)cc1 495139454 LPBZVYRCKXXNSI-BBRMVZONSA-N 290.382 3.679 30 20 CHED CC(C)CC[C@@H](NC(=O)NCC(C)(C)C#N)C(C)(C)C 497608281 HJXJYDZWXSJBFC-CYBMUJFWSA-N 281.444 3.686 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H](CC)C(C)(C)C 497637677 IUWPQXMHUXRERI-HNNXBMFYSA-N 292.423 3.844 30 20 CHED C[C@H]1CCC[C@@H]1NCc1ccccc1C(C)(C)C#N 501923855 SZECMCQDEGOPNC-BBRMVZONSA-N 256.393 3.766 30 20 CHED CC(C)(C#N)CNC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 503132203 FMXXJZNMQDZFDH-CVEARBPZSA-N 299.418 3.562 30 20 CHED C=C(C)CCOc1nc(-c2ccccc2Cl)no1 505559546 LAFXZRNRRVMENK-UHFFFAOYSA-N 264.712 3.735 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnc2c(C)cccn12 508532795 GQYBCOQQOQDPNR-UHFFFAOYSA-N 291.398 3.831 30 20 CHED C=CCN(CC1CCCCC1)CC1CC(OCC)C1 509656696 HCARIYSVGSIXIQ-UHFFFAOYSA-N 265.441 3.870 30 20 CHED CCN(Cc1cnc(-c2ccccc2)s1)C[C@@H](C)C#N 509812286 MPUPLKRWRSSVTG-ZDUSSCGKSA-N 285.416 3.792 30 20 CHED C[C@H](N[C@@H](C)[C@@H](C)O)c1ccc(-c2cccc(C#N)c2)cc1 515084463 HWGUXNIRJGBBRT-SOUVJXGZSA-N 294.398 3.645 30 20 CHED CC[C@@H](CC#N)NCc1cc(-c2ccccc2Cl)on1 517244078 BOKQHXWSBZRPFY-NSHDSACASA-N 289.766 3.777 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 519801253 DIJVOWRLWACTSZ-UKPHBRMFSA-N 276.424 3.791 30 20 CHED C=CCOc1cccc(NC(=O)N(CCC)C(C)C)c1 519834776 UZTXZBOOOGVCKX-UHFFFAOYSA-N 276.380 3.904 30 20 CHED CC(C)OC(=O)c1cccc(COc2ccc(C#N)cc2)c1 522420157 VEYYJVCFKAEVLG-UHFFFAOYSA-N 295.338 3.702 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2ccc(F)cc21 526955082 ZWMCWRYKQQWSGV-ZBFHGGJFSA-N 261.340 3.532 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1C1CC1 527871733 SIEPEHLGXUVFCK-UVBJJODRSA-N 282.387 3.718 30 20 CHED N#Cc1ccc(/C=C\c2cnc(C3CCC3)s2)nc1 532114395 NUAFNXAXLNYXPO-SREVYHEPSA-N 267.357 3.848 30 20 CHED C=CCC[C@H](NCCOc1cccc(F)c1)C1CC1 539090097 HQDCBDRPOKEVEH-INIZCTEOSA-N 263.356 3.539 30 20 CHED Cc1cccc(OC[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 539498985 ZOYGSLPSSUZUPR-HOTGVXAUSA-N 294.398 3.985 30 20 CHED COc1cccc(C(C)(C)CNc2nccc(C)c2C#N)c1 542282361 SFLDONRUKRYNED-UHFFFAOYSA-N 295.386 3.660 30 20 CHED CC(C)Oc1ccccc1CN1CCC(CC#N)CC1 543780275 MBEOYQVBKMIKBJ-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C=CC[C@H](CC)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 545271817 KMYRWSRXGSQKEC-QRQLOZEOSA-N 286.463 3.841 30 20 CHED C=CCCCSCC1CCN(C(=O)C(C)(C)C)CC1 545839463 QAPABLDOUUPTRW-UHFFFAOYSA-N 283.481 3.971 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C#N)CCC)c1ccccc1 548288067 WOXSFUFGYAWXAQ-HOTGVXAUSA-N 270.376 3.545 30 20 CHED N#Cc1ccc(-c2nc(C3CCCC3)no2)cc1Cl 548298847 IVYJMTKUYSBYHQ-UHFFFAOYSA-N 273.723 3.919 30 20 CHED N#CC1(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)CC1 548934509 HXTPAHQTVKGEHB-BJWYYQGGSA-N 266.388 3.701 30 20 CHED Cc1nc(N2CC[C@@H](CC3CC3)C2)c(Cl)cc1C#N 549654708 CZBSVCHHOWIRKE-LBPRGKRZSA-N 275.783 3.542 30 20 CHED C=CCC(C)(C)c1noc(CCc2cccc(N(C)C)c2)n1 551491891 INFYHGYHAUFCHG-UHFFFAOYSA-N 299.418 3.775 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)c1ccccc1C(F)(F)F 557588650 ONMJHENSUQUBLH-JTQLQIEISA-N 291.276 3.567 30 20 CHED N#Cc1cccc(N[C@H]2C[C@H](c3ccccc3Cl)C2)n1 559011093 OSOIMFNBQBAGRP-AULYBMBSSA-N 283.762 3.965 30 20 CHED N#CC1(CNC(=O)c2cscc2-c2ccccc2)CCC1 562780883 JSPGHEHTVIGBPX-UHFFFAOYSA-N 296.395 3.839 30 20 CHED CCN(CCn1ccc2cc(Cl)ccc21)C[C@H](C)C#N 564384384 OLIZVHHURWWTCO-CYBMUJFWSA-N 289.810 3.776 30 20 CHED CC(C)CC(CC(C)C)C(=O)N1CCC(CC#N)CC1 574720348 NSCRYJHZIMYONP-UHFFFAOYSA-N 278.440 3.847 30 20 CHED Cc1ccc(Cc2noc(-c3cccc(CC#N)c3)n2)s1 575591195 XYJDGQAXZLKIJK-UHFFFAOYSA-N 295.367 3.763 30 20 CHED N#Cc1ncccc1N1CCC(Cc2cccc(F)c2)CC1 576320617 FINXKONWLYBSJF-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C=CCOc1cccc(NC(=O)N(C)c2ccccc2)c1 576928917 WKXAXBZPIJYJLF-UHFFFAOYSA-N 282.343 3.920 30 20 CHED CC[C@@H](CN(CC)Cc1ccc(C#N)cn1)c1ccccc1 577646655 RWIRCEXQJUSJPT-KRWDZBQOSA-N 293.414 3.969 30 20 CHED C=CCC[C@@H](C)NC[C@H](c1ccc(SC)cc1)N(C)C 580221963 WFVIZAKTZOQQBH-RHSMWYFYSA-N 292.492 3.956 30 20 CHED Cc1ccc(CCC(=O)N[C@](C)(C#N)C(C)C)cc1Cl 585720910 BKDMVEBOBRRJOT-MRXNPFEDSA-N 292.810 3.636 30 20 CHED CC(C)(CCNc1cc(C#N)ccn1)c1ccccc1 587465836 IOTVZDPCJQAIQF-UHFFFAOYSA-N 265.360 3.733 30 20 CHED CC[C@H](NC(=O)CCCCCC#N)c1ccccc1 588154749 MDVSPVLUCZEEGM-HNNXBMFYSA-N 258.365 3.728 30 20 CHED COc1ccc(NC(=O)CCCCCC#N)c2cccnc12 588156509 YBSXNPULNDHDLH-UHFFFAOYSA-N 297.358 3.656 30 20 CHED CCC1(O)CCC(Nc2cccc(Cl)c2C#N)CC1 590696013 FRONOEOARSGJDV-UHFFFAOYSA-N 278.783 3.707 30 20 CHED CC[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1CCCCC1 590982007 CUXZWSAXGZWDJW-CRAIPNDOSA-N 288.435 3.936 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cc2ccncc2s1 595051202 LHADVJUAPMWGSE-LLVKDONJSA-N 273.405 3.887 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1cccs1 595055832 KBWPNUSYJVFZNS-RRQGHBQHSA-N 296.439 3.944 30 20 CHED CC[C@H](Cc1ccc(F)cc1)N[C@H]1CCC[C@H](C#N)C1 595061112 PDVYPZTYWGKQBJ-UAGQMJEPSA-N 274.383 3.819 30 20 CHED Cc1nocc1CN(CC(C)C)c1ccc(C#N)cc1 595361537 WWEUTMJOBXGEFI-UHFFFAOYSA-N 269.348 3.517 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@H](CC#N)C1)C(C)(C)C 595648529 WVFRRBGSHQUMBY-KGLIPLIRSA-N 279.428 3.536 30 20 CHED N#Cc1nc(N2CC[C@H](C3CCCC3)C2)sc1Cl 596276494 BKEYUHJSUDTTCX-JTQLQIEISA-N 281.812 3.685 30 20 CHED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)c(F)c1 596681109 IJMKCWUWYQSVMV-UHFFFAOYSA-N 274.339 3.937 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 596790911 UEDDYPVBNMIIJK-GJZGRUSLSA-N 276.424 3.936 30 20 CHED C[C@H](CCN1CCC[C@@H](CC#N)C1)c1ccccc1 597176134 FSMLBKQLTQUECD-CVEARBPZSA-N 256.393 3.806 30 20 CHED CCCCc1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 597916984 WBIIXCPQQBDAOH-MRXNPFEDSA-N 284.403 3.795 30 20 CHED Cc1ccc([C@@H](C)N(C)C[C@@H](O)CC(C)(C)C#N)c(C)c1 598585589 GOPARNMDHKEEAZ-CVEARBPZSA-N 288.435 3.597 30 20 CHED CCC[C@@H](C(=O)N(C)[C@H](C)C#N)c1ccc(Cl)cc1 598842169 IINZDTYNHASJQH-BXUZGUMPSA-N 278.783 3.594 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1nc(C)cc(C)c1C#N 598857782 IXEIWVMFWPOGQF-UONOGXRCSA-N 285.391 3.725 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(C)c(C(F)(F)F)c1 599962494 QQYGXUMNCREXTJ-UHFFFAOYSA-N 296.292 3.556 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 602348319 JTODCYRQLCZKRZ-MCPREKNCSA-N 296.414 3.904 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)n2)CC[C@H]1c1ccccc1 602476326 NAULTCXJUTXILA-DNVCBOLYSA-N 291.398 3.579 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 603996068 FMRSKGSWYVNGGU-PWSUYJOCSA-N 288.416 3.873 30 20 CHED Cc1nc(N[C@H](C)c2cccc(C#N)c2)sc1C 610685157 BYHHYAHVCQKOKQ-SNVBAGLBSA-N 257.362 3.805 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCNC1(c2cccc(C#N)c2)CC1 611396023 AQGKHKIXZQXYEY-QAPCUYQASA-N 298.430 3.732 30 20 CHED C[C@@H]1CCSCCN1c1nc(C(C)(C)C)ccc1C#N 616403994 HKFWREHFLMFSQV-GFCCVEGCSA-N 289.448 3.583 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3c(F)cccc3[nH]2)C1 617786964 DTSKJAMCUGHQFP-GFCCVEGCSA-N 286.350 3.735 30 20 CHED Cc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1Cl 618606799 ZFVRXZYFTZYXLQ-HNNXBMFYSA-N 262.784 3.774 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C1CCCCCC1 618738189 DDRUFBITZNIWJT-QGZVFWFLSA-N 282.387 3.632 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 619763382 HRTUKBFKCPRJSM-BBRMVZONSA-N 290.794 3.510 30 20 CHED CC1(C)C(C(=O)NCc2ccc(C#N)c(Cl)c2)C1(C)C 619765973 MANVLADJOHJPBL-UHFFFAOYSA-N 290.794 3.510 30 20 CHED C=CCOc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(C)C2 620434400 UBNBDLRWKFVQOK-GJZGRUSLSA-N 285.387 3.655 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccccc1OC1CC1 622980383 AQTBPCKSFCNNDW-UHFFFAOYSA-N 273.376 3.702 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(OC)c2C)C1 626756125 JNNKKSOREPFEHV-AWEZNQCLSA-N 288.391 3.824 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccsc1C 640471431 WUGYDUYTUMVUIK-LLVKDONJSA-N 250.367 3.629 30 20 CHED C=CCCC[C@@H](C)NC(=O)COC[C@@H](C)c1ccccc1 649903151 JUMXTVVOSGLSRY-HZPDHXFCSA-N 289.419 3.668 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 664556480 WCWSHBZUWXVEMA-KBPBESRZSA-N 296.455 3.624 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1[C@H]2C=CC[C@H]1CC2 665901335 WPGILYWDUOLKGY-SQNIBIBYSA-N 296.414 3.676 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@@H]2C[C@H]21 672135856 LCSQNHSEMODEGI-TZMCWYRMSA-N 273.401 3.589 30 20 CHED C=CCCOCC(=O)Nc1ccccc1SC(C)C 675488302 LREFJGHNMZCLJY-UHFFFAOYSA-N 279.405 3.718 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(CCC)cc1 684767229 FDSVORHWPOXUJU-ROUUACIJSA-N 273.420 3.710 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCCc2sccc21)OCC 684781468 MLERHVONWCDROQ-AWEZNQCLSA-N 293.432 3.789 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc2cc(F)ccc2s1 700580090 NKTHUGITEQWGLS-LBPRGKRZSA-N 275.348 3.572 30 20 CHED C#CCN(C(=O)c1ccc(CC)s1)C1CCCCC1 708443217 KBDCVTBJBWNCHK-UHFFFAOYSA-N 275.417 3.719 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1ccc(C(=O)O)s1 709362005 GXVRUJGDGFSLHM-WCQYABFASA-N 279.405 3.671 30 20 CHED Cc1[nH]c2ccccc2c1CC/N=C/c1cccc(O)c1O 726888610 ATOFKNLPMJHOQS-YBFXNURJSA-N 294.354 3.549 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc2oc3ccccc3c2cc1O 726962170 RZEAZJZQDXTEJZ-LBPRGKRZSA-N 294.354 3.883 30 20 CHED CCCCCCCC(=O)N1CC(Oc2ccccc2)C1 727765114 HHDUMCSNXWVKLZ-UHFFFAOYSA-N 275.392 3.637 30 20 CHED CCc1ccc([C@H](C)C(=O)OCCCCC#N)cc1 727916686 LLZQWOVBFSHYPZ-ZDUSSCGKSA-N 259.349 3.590 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3cc(C)ccc3[nH]2)c1 728536457 DLENWFKCICBCSE-UHFFFAOYSA-N 288.350 3.734 30 20 CHED C#Cc1ccc(C(=O)NC2CCC(CCCC)CC2)nc1 728817087 DURLUYUICZNRTK-UHFFFAOYSA-N 284.403 3.542 30 20 CHED C=CCN(C(=O)Nc1ccc2[nH]ccc2c1)C(C)C 729038989 GNKZXNKUNQWEAN-UHFFFAOYSA-N 257.337 3.596 30 20 CHED C[C@H]1CCCC1=NNCc1ccc(Br)cc1 729144940 BYTMXDVALDEOFI-JTQLQIEISA-N 281.197 3.715 30 20 CHED Cc1cc([C@H]2CCCN2c2ccc(Cl)cc2C#N)no1 729183402 UAVFXPITRGGGDA-OAHLLOKOSA-N 287.750 3.850 30 20 CHED COc1cccc(/C=N/[C@@H]2CCc3ccc(C)cc32)c1O 730147031 JWIWDYXJAFEGRX-YDDPGSGASA-N 281.355 3.816 30 20 CHED C#Cc1cccc(NC(=O)c2sccc2SC)c1 730457320 ZHJNKAUWMOPLKB-UHFFFAOYSA-N 273.382 3.704 30 20 CHED C=C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)n2C)CC1 731052006 AAASYBVWZXQXNZ-UHFFFAOYSA-N 298.361 3.623 30 20 CHED C#CCOc1ccc(C(C)=NNc2ccccc2)cc1 733200219 BZRWZEMESBQSEL-UHFFFAOYSA-N 264.328 3.535 30 20 CHED C=CC[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccncc1 734455659 JYZBZMGWGHLIFM-CQSZACIVSA-N 298.411 3.679 30 20 CHED CCOc1cc(C=NNc2c(F)cccc2F)ccc1O 735615807 YLDVUZIVAHPXBD-UHFFFAOYSA-N 292.285 3.515 30 20 CHED CCCCCCCCN1CCN(C2CCC2)CC1 740877999 MJJQUSQUDKZGFP-UHFFFAOYSA-N 252.446 3.517 30 20 CHED O=C(O)c1ccccc1NN=CC1CCCCCC1 741838141 PTCGUQFDJVMSIN-UHFFFAOYSA-N 260.337 3.753 30 20 CHED CCc1ccc(/C=C2\Oc3ccccc3C2=O)s1 742435705 CNONQUTZPYSJHN-ZROIWOOFSA-N 256.326 3.927 30 20 CHED CC(Cc1ccccc1C)=NNc1cnnc2ccccc12 743440156 BJKKIXNIDQEBBI-UHFFFAOYSA-N 290.370 3.969 30 20 CHED C#C[C@H](C)OC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 744181495 SGRJMAJPTRLBPE-GJZGRUSLSA-N 295.382 3.893 30 20 CHED C=C(C)CCOC(=O)CSc1nc2ccccc2s1 744304940 JCKZZWZFWZKSDP-UHFFFAOYSA-N 293.413 3.898 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2coc3ccccc23)o1 746563533 BLYLALXZKLWFRY-UHFFFAOYSA-N 294.314 3.862 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(C)ccc1OC)C2 747440182 LKXJKEOVGCVMJH-GDNBJRDFSA-N 294.350 3.835 30 20 CHED C[C@H](CC(=O)Nc1cc(C#N)ccc1O)c1ccc(F)cc1 748002755 OEYSSOIRNAJLOV-LLVKDONJSA-N 298.317 3.535 30 20 CHED Cc1ccc([C@@H](C)C(=O)OCc2ccc(C#N)cc2C)o1 748906792 OQAGYYWTCNGFHL-CYBMUJFWSA-N 283.327 3.615 30 20 CHED N#Cc1csc(/C=C2/Cc3c(F)ccc(F)c3C2=O)c1 749581576 DMUKAFKIHWGZES-WTKPLQERSA-N 287.290 3.720 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C\c1c(O)cccc1OC 749929813 FRONNWANSLYPCQ-XBZYTORLSA-N 293.432 3.884 30 20 CHED C=CCN(C(=O)c1ccc(OC(C)(C)C)cc1)C(C)C 750819378 OHBYVQPNKZDRQF-UHFFFAOYSA-N 275.392 3.901 30 20 CHED C=CCN(C(=O)c1ccccc1OCC1CC1)C(C)C 751079971 OUTBFCQTFZONRH-UHFFFAOYSA-N 273.376 3.512 30 20 CHED CCc1ncc(C=NNc2cccc3cnccc23)s1 752164821 LYHMUQQPCADZPO-UHFFFAOYSA-N 282.372 3.700 30 20 CHED CCSc1ccc(CC(=O)OCC2(CC#N)CC2)cc1 752509250 NJFDUJRBUMVUQF-UHFFFAOYSA-N 289.400 3.578 30 20 CHED COCC(C)(C)C=NOc1ccccc1C(F)(F)F 754962027 SKORTMPBZWCLOJ-UHFFFAOYSA-N 275.270 3.743 30 20 CHED COc1ccc(CNN=Cc2ccc(F)c(Cl)c2)cc1 755654817 LXLWPBDSJJVKOM-UHFFFAOYSA-N 292.741 3.611 30 20 CHED Cc1cccc(C)c1C=NNCc1ccc(F)c(F)c1 755658895 ZLSWQSKXBUJEEU-UHFFFAOYSA-N 274.314 3.705 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H]2C[C@@H]2c2ccccc2)o1 755675533 YQXJABPMFNRZBV-UONOGXRCSA-N 294.358 3.871 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cc(C)sc1C)OCC 756474622 XTKNGLMJFHOFOH-AWEZNQCLSA-N 282.405 3.779 30 20 CHED CC(C)CC1(CNCc2ccc(N(C)CCC#N)cc2)CC1 756900568 ZAFPTHLGZCANPL-UHFFFAOYSA-N 299.462 3.952 30 20 CHED C[C@@H](C=NNc1ncccc1[N+](=O)[O-])CC1CCCCC1 758123923 IOGDDRZKANCINJ-GFCCVEGCSA-N 290.367 3.994 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)Cc2cc(F)ccc21 759085266 UPGXIKNBCDEWHX-VMPITWQZSA-N 279.723 3.758 30 20 CHED CCCCCCCCN1CCC[C@@H](N(C)C)CC1 759975089 FZEHSQCCBZFIBH-MRXNPFEDSA-N 254.462 3.763 30 20 CHED CC(C)CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccn1 760216523 CBLZTZNOJNNIDL-UHFFFAOYSA-N 298.346 3.852 30 20 CHED Cc1cc(/C=C2\CCc3c(O)cccc3C2=O)cnc1Cl 760262116 ARGYVPPVTVRQSJ-XYOKQWHBSA-N 299.757 3.962 30 20 CHED Cc1cccc(C(=O)OCc2ccc(F)cc2C#N)c1F 761280472 BHGWPNQXGMYLQB-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=CCOc1ccc(OC(=O)c2cccc(C(C)C)n2)cc1 762088555 KFCHFVVPZWQOLY-UHFFFAOYSA-N 297.354 3.989 30 20 CHED CC(=NNc1ncnc2ccsc12)c1ccc(C)s1 764841636 SRLIHRJMPSJKJW-UHFFFAOYSA-N 288.401 3.897 30 20 CHED C#CC[C@H](NC(=O)Nc1cc(C)cc(C)n1)c1ccccc1 765297518 ATVXYHQHRVIINP-INIZCTEOSA-N 293.370 3.585 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@@H]2Cc3ccccc32)cc1 765755968 VAUVXVRPNRJMRH-YJBOKZPZSA-N 291.394 3.689 30 20 CHED Cc1ccc2c(CC(=O)OCC3(C#N)CCC3)coc2c1C 768085725 NLETTWRHXLRFSR-UHFFFAOYSA-N 297.354 3.829 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1ccc(F)cc1C 771270004 ZGYQZYSGXZFRES-UHFFFAOYSA-N 299.301 3.624 30 20 CHED Cc1cccc(NC(=S)NN=C2CC3(CCC3)C2)c1C 772833699 SHMJESOZFUSDKJ-UHFFFAOYSA-N 287.432 3.910 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1sccc1O 773147957 FEYJNLFWNOWXFG-HYXAFXHYSA-N 262.305 3.797 30 20 CHED C#CC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 775400430 OZUNBLLNIQZPFH-MRXNPFEDSA-N 298.317 3.588 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H](CO)C1 775552652 JKIZKYSGNCWFEK-JKSUJKDBSA-N 283.456 3.604 30 20 CHED C=C(C)CCNC1(C(=O)OC(C)(C)C)CCCCC1 775641158 IKFUYMSUALCPFR-UHFFFAOYSA-N 267.413 3.587 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2cccc(F)c2F)c1 776268758 UWERXRKRHYQNRU-BQYQJAHWSA-N 299.276 3.763 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)Cc1ccccc1CC#N 776886558 MAAWFIKLVRCRAB-SJLPKXTDSA-N 298.430 3.770 30 20 CHED C#CC[C@H](NC1CC(OC(C)(C)C)C1)c1ccccc1 779142258 QLXLSFOMOXOMCZ-JCYILVPMSA-N 271.404 3.687 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@@H]1c1cccc(OCC)c1 779951364 SJEGCZIJDUMYQC-QZTJIDSGSA-N 299.414 3.641 30 20 CHED COCC(=NNc1c(C)cccc1F)C1CCCC1 780241775 VVGWEFLBPIXYTM-UHFFFAOYSA-N 264.344 3.739 30 20 CHED CC(=NNc1ccnc(F)c1)c1cc(C)ccc1C 781132516 NDYAECCIUTUPPC-UHFFFAOYSA-N 257.312 3.674 30 20 CHED Cc1nn(-c2ccccc2)cc1NCc1ccccc1C#N 781416729 QOUBIVUTSPLATA-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C[C@H](OC(=O)c1cc2occc2[nH]1)c1ccc(C#N)cc1 786030079 BOVNWQKNALRNTL-JTQLQIEISA-N 280.283 3.551 30 20 CHED CCCCCC[C@](C)(CC)C(=O)N1CC[C@](F)(C#N)C1 786232927 JMURAHQOSPJUGZ-HOTGVXAUSA-N 282.403 3.837 30 20 CHED CCc1ccc(C=NNc2ccc(Cl)c(OC)c2)o1 788467230 HCNXTCMJLCQBFD-UHFFFAOYSA-N 278.739 3.950 30 20 CHED Cc1cccnc1NN=C1c2cccc(F)c2CC[C@H]1C 790192628 ABCMQACSXOWERO-LLVKDONJSA-N 283.350 3.928 30 20 CHED Cc1ccc(OC(F)F)c(C=NN[C@H](C)C(C)(C)C)c1 793115614 SBUZNPBKIQXPOI-LLVKDONJSA-N 284.350 3.955 30 20 CHED CCOCc1cc(C=NN[C@H](C)C(C)(C)C)ccc1OC 793118034 ZOGAGUJPWLGWQB-CYBMUJFWSA-N 292.423 3.590 30 20 CHED CC[C@@H](C)CON=Cc1c(C)nn(C(C)(C)C)c1C 793144581 DTVCZHZCRLQHSZ-LLVKDONJSA-N 265.401 3.652 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(Cl)n2)C12CCCC2 793175897 XHSTUYSDEPNLGC-GFCCVEGCSA-N 293.798 3.872 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)c1F 799892355 OGQZZGMNPQBHNL-FPLPWBNLSA-N 299.276 3.741 30 20 CHED Cn1cnc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)c1 800794758 PIPGDLHMSXNYBD-BQYQJAHWSA-N 278.311 3.576 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(Cl)cc1F 804415199 DOVCNFMNTXSLFC-YGRLFVJLSA-N 295.785 3.952 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(CSCC)c1 806302337 CDVKMERIFMEYEP-AWEZNQCLSA-N 290.432 3.863 30 20 CHED C=CCCCCCCNC(=O)N(CC)CC1CCC1 807569104 BUZXYKMKDGOMRG-UHFFFAOYSA-N 266.429 3.955 30 20 CHED C#CCCCCC(=O)N(C)[C@H](CC)c1ccccc1OC 807727401 DKFAHAGNJXSSPG-MRXNPFEDSA-N 287.403 3.798 30 20 CHED CCCCCCCC(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 807728462 PYQUIXNCUDTXSZ-RCDYEMGKSA-N 293.451 3.547 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)c1ccc(CC)cc1)C(C)(C)C 807879595 GCTVARKOTGPDRQ-XJKSGUPXSA-N 271.404 3.517 30 20 CHED COc1ccc(/C=C2\C(=O)c3ccccc3[C@@H]2C)cc1O 809155954 IBTSOMRDLIZJJA-GPILYODUSA-N 280.323 3.784 30 20 CHED C[C@H]1/C(=C/c2ccc(O)c(F)c2)C(=O)c2ccccc21 809156216 JUNDUAWFGSOKTP-DOQDJBIESA-N 268.287 3.915 30 20 CHED CC(C)OCCON=C1CCC[C@@H](C(F)(F)F)C1 812237667 JSOHSKGKRVNKPI-SNVBAGLBSA-N 267.291 3.537 30 20 CHED CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)CCCC#N)cc1 812617621 SMWSTOFMYDGXCD-CYBMUJFWSA-N 287.359 3.618 30 20 CHED Clc1cc(C=NOCC2CC2)c2ncccc2c1 814244586 AQLDQLQHRKRDGX-UHFFFAOYSA-N 260.724 3.649 30 20 CHED FC(F)(F)c1ccc(NN=C2CC[C@H]2C2CC2)nc1 814709987 KBZQHBCFWDBWQA-JTQLQIEISA-N 269.270 3.688 30 20 CHED C[C@H]1SCCC1=NNc1ncnc2c1oc1ccccc12 814773617 LZWMVQFCMKTFMS-SECBINFHSA-N 298.371 3.669 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC[C@H]2C2CCC2)o1 814821032 TZOUFRIWNDIUHD-NSHDSACASA-N 272.352 3.648 30 20 CHED CCSc1ccccc1OC(=O)c1ncc(C#N)cc1C 815953430 SNHFTMDKJZEYBL-UHFFFAOYSA-N 298.367 3.593 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)C1(OC)CCOCC1 817419092 ATYKTDINXVEOAA-JKSUJKDBSA-N 283.456 3.685 30 20 CHED C[C@@H](NN=C1CCC[C@@H]1CCCF)c1ccncc1 819817662 DALSOFVJJHCDIL-TZMCWYRMSA-N 263.360 3.638 30 20 CHED C=C(C)C(C)(C)C(=O)OCC(=O)c1cc(F)c(C)cc1F 821448192 QTGVGBGPERRUGQ-UHFFFAOYSA-N 296.313 3.601 30 20 CHED CC(C)C#CC(=O)N[C@H](C)CC(C)(C)c1ccccc1 823956697 UNKHTCZDDBVXNA-OAHLLOKOSA-N 271.404 3.518 30 20 CHED C#CCCCNC(=O)Nc1ccc(Cl)cc1SC 824295266 HEEIMTRIYMRVPH-UHFFFAOYSA-N 282.796 3.597 30 20 CHED C[C@H](Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@H]1CCOC1 824723049 ZSHHGVCJTYGCPF-STQMWFEESA-N 288.391 3.572 30 20 CHED C=CCC[C@H](CC)NC[C@@]1(C)CC1(Cl)Cl 824774796 VGPUQQTZUBHHCM-WDEREUQCSA-N 250.213 3.905 30 20 CHED C#Cc1cccc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)c1 825226539 IYHFOLPWEUQWOE-GJZGRUSLSA-N 281.321 3.879 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1cc(C2CC2)nn1C 826795989 GAZLEKCJFMRUMR-XJKSGUPXSA-N 273.424 3.522 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccsc2C)c1C 834422091 YQHCGIZOPYAJJO-VOTSOKGWSA-N 274.389 3.786 30 20 CHED C[C@H](NN=Cc1cccc(Cl)c1Cl)C(F)(F)F 834996731 OJFPACIXNJDWMM-LURJTMIESA-N 285.096 3.868 30 20 CHED C=CCC1(NC(=O)c2csc(C=O)c2)CCCCC1 836956295 FFSMBUAVALCFOG-UHFFFAOYSA-N 277.389 3.569 30 20 CHED C=CCC1(NC(=O)CC2CCC(OC)CC2)CCCCC1 836957638 VUBXCTYUNCIRHI-UHFFFAOYSA-N 293.451 3.977 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C#CC(C)(C)C 837313583 IAHXZJPYYMJLCE-UHFFFAOYSA-N 297.320 3.713 30 20 CHED N#CC1(CON=C(c2ccccc2)C(F)(F)F)CCC1 837631889 ZXABSMHICAAOGE-UHFFFAOYSA-N 282.265 3.663 30 20 CHED CC(C)(CCC#N)COC(=O)c1cnc2ccccc2c1 838877228 RZDDHNHNVKDWFG-UHFFFAOYSA-N 282.343 3.722 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccccc2OC2CCC2)C1 839055802 RQPMUVLSLSGKNI-DZGCQCFKSA-N 299.370 3.857 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C2(c3cccnc3)CCCC2)C1 839062580 MTWJOGKVNLSBSB-HOCLYGCPSA-N 298.386 3.519 30 20 CHED N#CC1(CCOC(=O)c2c(O)cccc2F)CCCCC1 840463307 XFXPNONBYGNKCJ-UHFFFAOYSA-N 291.322 3.552 30 20 CHED CC[C@@](C)(C/N=C/c1cc(Cl)cc(Cl)c1O)OC 840706426 IEHCAPMEBYSQIJ-HFVKVNHUSA-N 290.190 3.933 30 20 CHED CO[C@@H]1C[C@@H](/N=C/c2c(O)ccc3ccccc23)C12CCC2 840710603 KTGGGSIRJCJXBZ-LNSJNNGNSA-N 295.382 3.922 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(CC(C)C)c2)nn1C 840718397 AYNUKKSBTJXVLH-HJWRWDBZSA-N 282.387 3.823 30 20 CHED C=CCCCCCCCNC(=O)Nc1ccc(N)cc1 841298732 DXNLKAXKQXKPOF-UHFFFAOYSA-N 275.396 3.917 30 20 CHED COc1ccc(C(C)=NNc2nccnc2C(C)C)c(C)c1 841635655 NYUXWJFOKFARFK-UHFFFAOYSA-N 298.390 3.753 30 20 CHED C=CCc1ccccc1OC(=O)CCc1scnc1C 842287014 SHZCMQAPTYTODY-UHFFFAOYSA-N 287.384 3.718 30 20 CHED C=C(C)[C@@H]1CC=C(COC(=O)C[C@H](C)n2ccnc2)CC1 845486601 XZEZVYVVNXJIFI-GOEBONIOSA-N 288.391 3.680 30 20 CHED CC[C@@H](COC(=O)Cc1ccccc1CC#N)CC(F)F 845758348 MVMPXEHFYKPMEJ-GFCCVEGCSA-N 295.329 3.520 30 20 CHED C[C@H]1CC[C@H](C)C(=NNc2ccc(CC(=O)O)cc2)C1 848413904 FAFKJXYGTDXYCK-RYUDHWBXSA-N 274.364 3.538 30 20 CHED C=C(C)CNC(=N)NC[C@H]1CCCC[C@H]1C(C)(C)C 849063630 NRVTUOLIYHYYQC-ZIAGYGMSSA-N 265.445 3.529 30 20 CHED C=CCN(C(=S)Nc1c(C)cccc1C)[C@@H](C)COC 849276994 NVUCRGTYDQSNHX-AWEZNQCLSA-N 292.448 3.523 30 20 CHED CC1(C)C[C@@]1(C(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 850755545 GBFFBRRXYLXUIM-KXBFYZLASA-N 290.366 3.626 30 20 CHED C=CCC[C@@H](OC(=O)CCc1cccnc1Cl)C1CC1 850905690 FYOKNHCGSROASX-CQSZACIVSA-N 293.794 3.956 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(C2CC2)cc1 850936835 BYKDLRQXUKPMSZ-CQSZACIVSA-N 257.333 3.659 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@H]1CCc2ccccc21 851208667 AILNBIBTDFJUCP-UKRRQHHQSA-N 285.387 3.978 30 20 CHED C/C(=C/C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccc1 851211565 KTGSGAQRUHVWJY-QLKUMGTLSA-N 271.360 3.961 30 20 CHED C=CC(C)(C)CCOC(=O)c1csc(C2CC2)n1 851299713 WCJAQUXEIBLRBZ-UHFFFAOYSA-N 265.378 3.780 30 20 CHED N#CC[C@H](CC(=O)OC[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1 851416350 GSXWDUPTBQYJDQ-DZUCGIPZSA-N 283.371 3.663 30 20 CHED Cc1ccccc1C=NOCCOc1ccc(F)cc1 852229282 QKXUFMQFODTORV-UHFFFAOYSA-N 273.307 3.564 30 20 CHED COCCN(C)N=C1CCCC[C@@H]1c1ccccc1Cl 853343977 ZYHSZTYDJUZLBP-CQSZACIVSA-N 294.826 3.932 30 20 CHED CC(=NNc1ccnc(Cl)c1)C1CCSCC1 853395225 PJSAJAZWBSHHFO-UHFFFAOYSA-N 269.801 3.666 30 20 CHED CC(C)C#CC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 854893432 LTAPPFNSCNFXCA-ZBFHGGJFSA-N 289.806 3.752 30 20 CHED C/C=C(/CC)C(=O)N(c1ccc(C#N)cc1)C1CCC1 857676232 KNSQMNOQYCOPQM-BNNQUZSASA-N 268.360 3.800 30 20 CHED C=CC1CCN(C(=O)/C=C\c2cccc(OCC)c2)CC1 859328586 IOMLVZCVGKGLFM-HJWRWDBZSA-N 285.387 3.523 30 20 CHED C=CCOCSc1nc2ccccc2n1C(F)F 865351338 VPLBGNWDIOSJNY-UHFFFAOYSA-N 270.304 3.684 30 20 CHED COc1cc(C)c([C@H](C)NCC2(C#N)CCC2)cc1C 877594917 MLVRNRKNPONKCK-AWEZNQCLSA-N 272.392 3.657 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2cccc(C3CC3)c2)n1 882405341 OZEANIYNDISXCX-NSHDSACASA-N 278.359 3.707 30 20 CHED C=C1CCC(c2nc(C(CC)(CC)OC)no2)CC1 896315032 LDSGNDFAVIKFMK-UHFFFAOYSA-N 264.369 3.945 30 20 CHED C/C(=C(/F)C(=O)N[C@H](C#N)c1ccc(Cl)cc1)C1CC1 900608858 QBAPTULZTQNUFH-CKXDQPNJSA-N 292.741 3.674 30 20 CHED CC[C@H](N[C@@H](COC)c1ccc(C)o1)c1cccc(C#N)c1 902831433 YMGMONBQPQZRNB-IRXDYDNUSA-N 298.386 3.888 30 20 CHED C=C[C@H](CC)CC(=O)N(c1ccccn1)C1CCCC1 903987851 QQQGLPXMHGOHAQ-CQSZACIVSA-N 272.392 3.960 30 20 CHED CC(C)N(C)c1ccc(-c2ccsc2C#N)cn1 904895982 UGYVHFQJEBIFED-UHFFFAOYSA-N 257.362 3.526 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 914472776 VGBABKVCBZZFEG-UHFFFAOYSA-N 284.746 3.878 30 20 CHED C=CCN(C(=O)c1csc2c1CC[C@@H](C)C2)C(C)C 914683003 ARLMASGHMJXFMG-GFCCVEGCSA-N 277.433 3.910 30 20 CHED Cc1ccc(C=NNc2ncccc2C(F)(F)F)cc1 915051450 UQSONNHLTCGCOD-UHFFFAOYSA-N 279.265 3.855 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1ccccc1F 915967744 NIQBXJZNVYHTBD-UHFFFAOYSA-N 282.322 3.549 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc2c(c1)CCO2 920375258 VIIJNTIVAOMYFA-UHFFFAOYSA-N 288.297 3.736 30 20 CHED COc1cccc(C(C)=NNc2cc(F)cc(F)c2)c1 920376511 KFCOMIVQMVWQAX-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1cc2ccccc2o1 925452706 DOCULEUMAXMCTO-CYBMUJFWSA-N 270.376 3.893 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cccc(-n2cnnc2)c1 925710748 WJNJARKYTKMNAG-GJZGRUSLSA-N 284.407 3.663 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc(N2CCCCC2=O)c1 925759343 WFDNWVUDEVXULO-CQSZACIVSA-N 299.418 3.944 30 20 CHED Cc1ccc([C@@H](NCC(C)(C)C#N)c2ccccn2)cc1 926874992 VSFFWEMSBSOCBT-QGZVFWFLSA-N 279.387 3.619 30 20 CHED C#CCN(C(=O)Nc1cccc(N2CCCCC2)c1)C(C)C 929931493 MPJSPPXUEKECMJ-UHFFFAOYSA-N 299.418 3.552 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(C)c(NC(C)=O)c1C 930311795 FIYMDBFJOAYPDK-CQSZACIVSA-N 288.391 3.803 30 20 CHED Cc1noc(C)c1C(C)(C)NCCCCC1(C#N)CCC1 930476121 PISJIMDUBIYKJW-UHFFFAOYSA-N 289.423 3.980 30 20 CHED CC[C@@H](C)n1nc(NC(=O)c2cc(C#N)ccc2C)cc1C 935250237 HLTJMYOISAKXRC-GFCCVEGCSA-N 296.374 3.595 30 20 CHED N#C[C@H](C(=O)c1cccc(C(F)F)c1)c1cccc(F)n1 1122714680 NPRSJDWBESRTLR-NSHDSACASA-N 290.244 3.648 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC1(C)CCC1 1167024387 WDLWHKKXRXBTRM-UHFFFAOYSA-N 256.393 3.960 30 20 CHED N#Cc1ccc2c(c1)CCCN2CCc1ccc(F)c(F)c1 1170662270 ZCXMDGMKRKDWFX-UHFFFAOYSA-N 298.336 3.832 30 20 CHED CCc1ccc(C=NNc2ccc(C(C)(C)C)nn2)s1 1251931557 LGWORWIEFDZJTL-UHFFFAOYSA-N 288.420 3.844 30 20 CHED N#CC1(Cc2nnc(-c3ccccc3)o2)CCCCC1 1253094209 HLZOPXJVVYVTIE-UHFFFAOYSA-N 267.332 3.753 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)n(CC2CC2)c1C 1261257985 NAVWIWRGZITVDY-UHFFFAOYSA-N 288.435 3.847 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1nc(CC)cs1 1263639846 QNLHHCCWICMZKL-LBPRGKRZSA-N 279.409 3.668 30 20 CHED C=CCC1(O)CCN(C(=O)[C@H](C)CC2CCCCC2)CC1 1331911676 NUCMOTBTTWBSQF-OAHLLOKOSA-N 293.451 3.523 30 20 CHED Cc1cnc(Cl)cc1C(=O)OCC1(C#N)CCCCC1 1343205744 CNSZHFGZCHZYMA-UHFFFAOYSA-N 292.766 3.674 30 20 CHED N#Cc1cc(C(=O)OC[C@H]2CCc3ccccc32)cs1 1343484147 NDCNBCDTDSGMSZ-GFCCVEGCSA-N 283.352 3.507 30 20 CHED C=C(C)CCC(=O)N1CCSC[C@H]1c1ccc(C)cc1 1346823471 UUHUDYFCTGGDQL-INIZCTEOSA-N 289.444 3.968 30 20 CHED N#Cc1cc(NC(=O)c2ccsc2C(F)F)ccc1F 1435015650 LQTQIDWCKFKTTP-UHFFFAOYSA-N 296.273 3.949 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1 1436540304 RMDYPTNSPZCGPQ-GOEBONIOSA-N 270.376 3.504 30 20 CHED COc1cccc(CN(CCC#N)CC(C)(C)C)c1C 1459539025 IGVJTASGQDCTBL-UHFFFAOYSA-N 274.408 3.765 30 20 CHED Cc1ccc2c(c1)N(Cc1cccc(C#N)c1)C[C@@H](C)O2 1459629558 SBGIIMBNUNMDMW-CQSZACIVSA-N 278.355 3.654 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@H](c1ccccc1)c1ccnn1C 1525461895 FUUCLZKJFJKRKO-KBXCAEBGSA-N 298.386 3.655 30 20 CHED CCCCN(C)C(=O)c1c(Cl)cc(C#N)cc1Cl 1543106759 CISRPCVUVVHZQA-UHFFFAOYSA-N 285.174 3.737 30 20 CHED CC(C)(C#N)Cc1cccc(-c2cncc(C(=O)O)c2)c1 1589557815 HVMQHLGZQNATMB-UHFFFAOYSA-N 280.327 3.539 30 20 CHED N#Cc1c(F)cccc1-c1ccc(C2CC(C(=O)O)C2)cc1 1601082071 FYNWSSIIKGYVBK-UHFFFAOYSA-N 295.313 3.943 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Cl)cc1-n1cccc1 1628297700 LXZRWZOOXDKOAK-LLVKDONJSA-N 287.750 3.619 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc2cccc(F)c2o1 1642654333 UJNYJUPYDGEYGO-AWEZNQCLSA-N 293.301 3.938 30 20 CHED N#Cc1ccccc1OCCN1CC[C@H](C2CCCCC2)C1 1643729716 XFBBNASWZKMQOX-SFHVURJKSA-N 298.430 3.839 30 20 CHED COc1cccc(CCCN2CCc3c(C#N)cccc32)c1 1646299098 JGIHIIRQLRCHAM-UHFFFAOYSA-N 292.382 3.562 30 20 CHED Cc1ccc(-c2cccc(CN=c3cc[nH]cc3C#N)c2)cc1 1650870214 GRNUXGVNZWHUPO-UHFFFAOYSA-N 299.377 3.963 30 20 CHED C=C(Br)COc1ccc(C(C)=O)c(Cl)c1 1652221586 NGZCGABBKKQLCY-UHFFFAOYSA-N 289.556 3.830 30 20 CHED CCC[C@H](CC)NCc1cc(C#N)ccc1Br 1656395492 RWLCZUWZTBBMJI-ZDUSSCGKSA-N 295.224 3.989 30 20 CHED C[C@H](CN1CC(C)(C#N)C1)c1ccc(C(F)(F)F)cc1 1664944746 KWZVEUXLDYYUNU-LLVKDONJSA-N 282.309 3.654 30 20 CHED C=C(CNC(=O)NC(C1CCC1)C1CCC1)c1ccccc1 1682212552 LYZQDPUGFBSMSB-UHFFFAOYSA-N 298.430 3.968 30 20 CHED Cc1c(NN=Cc2ccsc2Cl)cccc1C(=O)O 1776087568 JNDGLTGZQDABIB-UHFFFAOYSA-N 294.763 3.854 30 20 CHED O=C(/C=C\c1cc(C(=O)O)c(Cl)s1)c1ccccc1 1776114565 SKVKGTXJJASHFY-SREVYHEPSA-N 292.743 3.996 30 20 CHED CC(C)c1ccc(OCC(=O)Nc2ccccc2C#N)cc1 513768 BYHYFPZRQFGCJQ-UHFFFAOYSA-N 294.354 3.699 30 20 CHED N#CCCSc1ncnc2sc3c(c12)CCCC3 6477047 SRJHJLJAOKKQSZ-UHFFFAOYSA-N 275.402 3.576 30 20 CHED CC(C)Oc1cccc(CNc2ccc(C#N)cc2)c1 40444536 CZLYUJCDIIWAEI-UHFFFAOYSA-N 266.344 3.958 30 20 CHED Cc1c(F)cccc1NCc1cc(C#N)ccc1F 43321152 PJBOHXXMLBINLR-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1ccc(Sc2ncnc3ccsc23)cc1 48837446 KIJPDXDAAXGLSA-UHFFFAOYSA-N 269.354 3.714 30 20 CHED Cc1ccc([C@@H](C)NCc2ccccc2C#N)s1 49183528 FSEMQFKEBOBHIE-GFCCVEGCSA-N 256.374 3.779 30 20 CHED C#CCOC(=O)[C@@H](Sc1ccccc1)c1ccccc1 58833302 IGWXWQWBSJAFGB-INIZCTEOSA-N 282.364 3.696 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)[C@H]1C=CCCC1 66496990 VRKRYDYHQSYFIB-KRWDZBQOSA-N 254.377 3.877 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 69329704 TVLIJJADHVVHCN-OLZOCXBDSA-N 287.359 3.591 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1cccs1)c1cccc(C#N)c1 75269212 SBRHJEJHTWVGJH-RYUDHWBXSA-N 284.384 3.601 30 20 CHED N#Cc1c(F)cccc1Oc1cncc(Br)c1 78836368 JWBALBRKDFBGDH-UHFFFAOYSA-N 293.095 3.647 30 20 CHED C[C@H](C(=O)NC1(C#N)CCC1)c1ccc2ccccc2c1 84587856 JCMWORQFSIZFCO-ZDUSSCGKSA-N 278.355 3.506 30 20 CHED C[C@H]1CN(Cc2cc(C#N)cs2)[C@H](c2ccccc2)CO1 93660799 NWJUAKYDNOBAPP-GUYCJALGSA-N 298.411 3.582 30 20 CHED C=CCN(CC=C)C(=O)COc1ccccc1[C@H](C)CC 97603242 CHEJDPSOXMYWAD-OAHLLOKOSA-N 287.403 3.780 30 20 CHED Cc1cc(CNc2ccccc2SC[C@H](C)C#N)no1 108354751 UKVLRSWYOHVLGN-LLVKDONJSA-N 287.388 3.847 30 20 CHED C=CCSCC(=O)c1cc(C)n(CCC)c1C 114757036 BZDBQROFJJOKIU-UHFFFAOYSA-N 251.395 3.617 30 20 CHED Cc1ccc(C(=O)O[C@H](C)CC#N)cc1Oc1ccncc1 115915827 ICMHGMUDVDNTKD-CYBMUJFWSA-N 296.326 3.641 30 20 CHED Cc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)sc1C 116799596 SCRRVODOYKQFRM-MEBBXXQBSA-N 276.405 3.567 30 20 CHED CC#CCN[C@@H](C)c1sc(-c2ccccc2)nc1C 119407619 OFQAZMVGACANBY-LBPRGKRZSA-N 270.401 3.792 30 20 CHED C=C[C@H](CC(=O)N1CCc2ccccc2C1)c1ccccc1 121385779 GSAGCILSAAQLLQ-MRXNPFEDSA-N 291.394 3.931 30 20 CHED CC(=O)Nc1cc(NCc2ccc(F)c(C#N)c2)ccc1C 124069720 DSDOGHFIERLOJZ-UHFFFAOYSA-N 297.333 3.576 30 20 CHED C=CCOc1cccc(CNc2ccc3c(c2)COC3)c1 125432215 NZKUCBRHMLRVPJ-UHFFFAOYSA-N 281.355 3.894 30 20 CHED CCc1oc2ccccc2c1C(=O)N[C@@](C)(C#N)C(C)C 125740349 BFEGYGBQSYNYBZ-KRWDZBQOSA-N 284.359 3.663 30 20 CHED CN(CCC#N)C(=O)Nc1ccccc1CCC(F)(F)F 126138396 XPUFIAFSYHCTES-UHFFFAOYSA-N 299.296 3.559 30 20 CHED C=C[C@@H](CC(=O)Nc1ccnn1CC(C)C)c1ccccc1 128964816 HWZYJCXJYJSHAV-HNNXBMFYSA-N 297.402 3.838 30 20 CHED Cc1ccc(OC(F)F)c(C(=O)/C=C/c2cncs2)c1 129929879 ZESZJVNDBJKKQX-ONEGZZNKSA-N 295.310 3.949 30 20 CHED C[C@@H](CNCc1ccc(C#N)s1)c1ccccc1 135669146 YUAMONZPCZYGNC-LBPRGKRZSA-N 256.374 3.513 30 20 CHED CCn1nccc1/C=C1/C[C@@H](C)c2ccccc2C1=O 152675744 SNRQDGNPBILALN-NPRUJURCSA-N 266.344 3.677 30 20 CHED CC(C)(C)c1nc(CCNCc2ccc(C#N)cc2)cs1 153691343 PYFOJJJEXNRNBR-UHFFFAOYSA-N 299.443 3.645 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)C2CCCCC2)cc1 157498917 RFUARCYSRRCILR-CQSZACIVSA-N 272.392 3.742 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C)c(-c2ncco2)c1 161723062 ULCHTPBUBQRLRY-UHFFFAOYSA-N 297.358 3.856 30 20 CHED CC(C)[C@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 171977433 YBSIFBCFFNAALZ-ZANVPECISA-N 299.201 3.966 30 20 CHED C[C@@H](Sc1ccccc1C#N)c1nc(C2CC2)no1 172680100 HCHTZDSTPVOOQZ-SECBINFHSA-N 271.345 3.672 30 20 CHED C[C@H](NCCCCC#N)c1ccc(OC(F)F)cc1 174057110 YCYOVDFQGZRUDX-NSHDSACASA-N 268.307 3.632 30 20 CHED Cc1cccc(OCCN(C)CCCC(C)(C)C#N)c1 174812528 SYWIDLRJOGHJSL-UHFFFAOYSA-N 274.408 3.636 30 20 CHED C=CCCCC(=O)N[C@H]1CCOc2c(Cl)cccc21 175409316 VNORLGRWLUNQRA-ZDUSSCGKSA-N 279.767 3.636 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CCC1CCC1 175507349 WMHKNXSFXRTHBR-UHFFFAOYSA-N 284.403 3.877 30 20 CHED C=CCCCC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 175875334 GKWXUVOFKAWHPS-RDJZCZTQSA-N 271.404 3.995 30 20 CHED CN(C(=O)CC(C)(C)C)c1cc(Cl)ccc1C#N 176428243 DJCZJVNONSUQMY-UHFFFAOYSA-N 264.756 3.611 30 20 CHED CC[C@@H](CNC(=O)c1cc(C#N)cs1)c1ccccc1 176882373 XTWVSHQYYHHJSX-ZDUSSCGKSA-N 284.384 3.543 30 20 CHED CCC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 177987052 IMRJCKNHSVDQLA-RBUKOAKNSA-N 294.398 3.723 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cnc(C(C)(C)C)s1 178387449 JGHRMPJNDNTCLW-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CCCCCSCC(=O)N(C)C1(C#N)CCCCC1 180719960 LSFMYDARYIDGIQ-UHFFFAOYSA-N 282.453 3.595 30 20 CHED C=CCCCN[C@@H](C)c1cccc(N2CCCC2)c1 181876031 JUWGXTUBHZUDJD-HNNXBMFYSA-N 258.409 3.904 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc(-n2cncn2)cc1 181900069 LKNXLESARUCQJI-GJZGRUSLSA-N 284.407 3.663 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1coc2ccccc12 181992774 HMMBCVQCJNXJAP-ZDUSSCGKSA-N 257.289 3.528 30 20 CHED C[C@@H]1CC(C(=O)N(C)Cc2cccc(C#N)c2)C[C@@H](C)C1 182936331 UUJSJZATUGQOCM-KBPBESRZSA-N 284.403 3.589 30 20 CHED C=CCC1(C(=O)NCCCN(C)C2CCCCC2)CCC1 187946818 YANGDYQAGRRSCT-UHFFFAOYSA-N 292.467 3.504 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@@H]1C)c1ccccc1 188341914 KBZOYFMJVOTYEW-HOCLYGCPSA-N 257.377 3.747 30 20 CHED C=CC[C@@H](C(=O)N1CCc2ccccc2C1)c1ccccc1 189362373 MGUZXXGJVUOJCH-LJQANCHMSA-N 291.394 3.931 30 20 CHED C#CCCCC(=O)Nc1ccc(OC2CCCC2)c(F)c1 192141479 RSIOCXJBZKBVBF-UHFFFAOYSA-N 289.350 3.889 30 20 CHED C[C@H](NCCc1ccc(F)cc1)c1ccc(OCC#N)cc1 192911754 NKQLYUHNZIYWLC-AWEZNQCLSA-N 298.361 3.621 30 20 CHED CCCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 193348643 WHMSFXIXYCXPJE-NVXWUHKLSA-N 286.419 3.956 30 20 CHED N#CCc1ccc(NCc2nc(-c3ccccc3)c[nH]2)cc1 194247608 CJRWODZDJMRVMF-UHFFFAOYSA-N 288.354 3.755 30 20 CHED CCn1cc(C(=O)/C=C\c2cc(C)c(C)cc2C)cn1 210899653 IRIXSCUDPBGWTG-SREVYHEPSA-N 268.360 3.724 30 20 CHED Cc1nc(CCNc2ccc(C#N)cc2Cl)cs1 235935269 FYYSVXRBXKYMRY-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 249462964 RIWBDLDRWDNPQY-QRQLOZEOSA-N 298.430 3.700 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 249780612 ZHSAQYAIWOPHED-XYJFISCASA-N 299.414 3.646 30 20 CHED CC(C)Oc1ccc(NC/C=C\Cl)cc1C#N 255323884 BWZLNLBJKIUHPY-UTCJRWHESA-N 250.729 3.510 30 20 CHED N#Cc1ccccc1/C=C1/CCc2ccccc2C1=O 255397407 FLJLJKXVZDLELT-PTNGSMBKSA-N 259.308 3.771 30 20 CHED CC[C@@H](CC(=O)Nc1cccc(OCC#N)c1)C(C)C 264103427 AROQSDDWDFXPQH-ZDUSSCGKSA-N 274.364 3.600 30 20 CHED C[C@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccc(C#N)cc1 264287683 AIBCBTZWHUEPJZ-STQMWFEESA-N 297.402 3.592 30 20 CHED C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C1(C#N)CCCC1 266873251 LJJXEDGZCNGPFW-RDJZCZTQSA-N 296.414 3.550 30 20 CHED CN(C(=O)c1ccc2c(c1)CCCC2)c1ccc(C#N)cc1 269660231 JUCDCQADZOFLIB-UHFFFAOYSA-N 290.366 3.714 30 20 CHED CC(C)c1ccccc1OC[C@@H](O)c1ccc(C#N)cc1 270123144 NBNFHJXVRCAZJK-QGZVFWFLSA-N 281.355 3.794 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)OCC 270367097 SSEILYGQBZBEDZ-BBRMVZONSA-N 287.359 3.534 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(OC(F)F)c(Cl)c1 271123578 JFKAMEXOOZMAKF-SECBINFHSA-N 288.725 3.533 30 20 CHED C=CCN(C(=O)N[C@H](C)[C@@H](C)c1ccccc1)C1CC1 271358866 FFCPVNFHVCJBFH-ZIAGYGMSSA-N 272.392 3.539 30 20 CHED C#CC[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 271524840 OXNWUKHRIDVWTP-RHSMWYFYSA-N 293.366 3.831 30 20 CHED C[C@@H](Cc1ccc(O)cc1)N[C@H](C)c1ccc(C#N)c(F)c1 271980384 WRUYNYCZPSWTEZ-QWHCGFSZSA-N 298.361 3.685 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c2ccccc2n1 272424743 OTVKSGFXJHFUMW-SFHVURJKSA-N 295.386 3.601 30 20 CHED Fc1ccc(C#CCSCCC(F)(F)F)cc1 274254051 YGCZUXUHAZRJTL-UHFFFAOYSA-N 262.271 3.863 30 20 CHED C=C[C@](C)(CC)C(=O)N(CC)CCc1cccs1 276056995 PNYPNCZEWMEMQB-OAHLLOKOSA-N 265.422 3.741 30 20 CHED C=CCC[C@H](NCCc1ccccn1)c1ccco1 276475774 QQIWIQSJKJFKJA-HNNXBMFYSA-N 256.349 3.514 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CC(C)(C)C#N)C1 279292269 POHZERDTOPYINY-IUODEOHRSA-N 288.366 3.675 30 20 CHED N#CC1(CCCNc2cc(F)ccc2Cl)CCOCC1 280902353 BQHYMRVJLRPKND-UHFFFAOYSA-N 296.773 3.992 30 20 CHED Cc1cc(NCCCC2(C#N)CCOCC2)ccc1F 280955495 GQQOLALLLPLQIC-UHFFFAOYSA-N 276.355 3.647 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC(F)F)cc1F 282795946 PXJXVJLRHCCUMX-CQSZACIVSA-N 287.281 3.968 30 20 CHED C=C(C)[C@H](N[C@H](C)c1ncc[nH]1)c1ccc(F)c(F)c1 285959118 FJMGHIIMZJDLSV-YGRLFVJLSA-N 277.318 3.656 30 20 CHED CCc1ccc2occ(C(=O)N[C@@H](C#N)C(C)(C)C)c2c1 287592933 RRIAXNVKWDFZPX-HNNXBMFYSA-N 284.359 3.663 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C 289105127 QALBRVAHAMEOCZ-CABCVRRESA-N 299.418 3.517 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2c[nH]c3cccc(C)c23)no1 289223764 UOHMYRIZXRZZCZ-QGZVFWFLSA-N 294.358 3.641 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1c1ccccc1C 291014010 MDTOSFWGBWAKPD-KRWDZBQOSA-N 296.418 3.813 30 20 CHED N#CCCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 292461825 QLQNGQOQGNSYDT-CQSZACIVSA-N 280.824 3.810 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 292886596 ZLKZFHQWAVCUFI-UHFFFAOYSA-N 286.375 3.576 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 294282515 HULDCDBGAUTTFI-CYBMUJFWSA-N 275.392 3.863 30 20 CHED CC(C)Oc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 299731808 XKEPMBFOTBBREW-UONOGXRCSA-N 260.381 3.817 30 20 CHED CO[C@@]1(C)C[C@H](Nc2c(C#N)cnc3ccccc23)C1(C)C 301420237 HVRZPXYPMKORAI-YJBOKZPZSA-N 295.386 3.722 30 20 CHED COc1ccc(N/C(N)=N/CC2(C)CCCCCC2)cc1 305807236 ZNXBFIDTHRRIOD-UHFFFAOYSA-N 289.423 3.782 30 20 CHED CCOC1(C)CCN(Cc2ccc(C#N)cc2Cl)CC1 312963775 JRRLOBCBTRQXFM-UHFFFAOYSA-N 292.810 3.603 30 20 CHED C[C@@H](CC(=O)Nc1cccc(CC#N)c1)C(C)(C)C 313468446 QTGSBHJJLDHDLS-LBPRGKRZSA-N 258.365 3.763 30 20 CHED Cc1ccc(NC(=O)NCC(C)(C)CC#N)cc1Cl 315508007 FPWFFODYIDMKPK-UHFFFAOYSA-N 279.771 3.710 30 20 CHED C[C@H]1C[C@@H](C)O[C@H]1C(O)=Nc1ncc(-c2ccccc2)cn1 328643731 AJSKFIUQCJJQSX-YWPYICTPSA-N 297.358 3.545 30 20 CHED CCCc1nc(C(O)=Nc2c(C)cc(C)nc2C)co1 330402014 FRYVUSUXNATZJW-UHFFFAOYSA-N 273.336 3.584 30 20 CHED CC[C@@H](/N=C(/O)Nc1cccc(C)c1F)C1CCOCC1 330697664 VUFGBAGEPJXTHW-CYBMUJFWSA-N 294.370 3.665 30 20 CHED CCc1ocnc1/C(O)=N/[C@H](C)CC1CCCCC1 330971380 GJJJPNWRIVERBK-LLVKDONJSA-N 264.369 3.901 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 331014793 GICLUZKVZBAXEG-CZUORRHYSA-N 284.403 3.796 30 20 CHED C=C1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1 334463744 ZUGQSQIPBVZXJA-UHFFFAOYSA-N 294.354 3.666 30 20 CHED N#C[C@@H](NC(=O)c1sccc1F)c1ccccc1Cl 335935489 AXVVVABSAARMCA-LLVKDONJSA-N 294.738 3.535 30 20 CHED N#CC1(N(C(=O)c2ccc3ccccc3c2)C2CC2)CCC1 336490179 CRLCFGHLFSHWMG-UHFFFAOYSA-N 290.366 3.891 30 20 CHED CC(C)c1cccnc1NC(=O)CCc1ccc(C#N)cc1 337579297 ZKBREQFBUNZSKL-UHFFFAOYSA-N 293.370 3.648 30 20 CHED C=CCCSCC(=O)NCCCSc1ccccc1 339092663 YUVFMYVPEMDGFJ-UHFFFAOYSA-N 295.473 3.594 30 20 CHED C=CC[C@@H](CC)NCc1cccc(OCCCC#N)c1 341439551 NZIVUPRBDKHOFP-MRXNPFEDSA-N 272.392 3.813 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)c1cc(C#N)ccn1 341719184 AXXNSAHDPRNKGH-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C12CCC(CC1)C2 342372222 LNQWMOJPCMJOMA-UHFFFAOYSA-N 294.398 3.653 30 20 CHED Cc1ccc(C#N)cc1NCc1cn(C(C)C)nc1C 343624321 ORDLARAHHBEQQR-UHFFFAOYSA-N 268.364 3.565 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)n(C(C)C)c1C 343763722 HSTLZWAHNAMKHV-AWEZNQCLSA-N 262.397 3.770 30 20 CHED C=CCOc1cccc(CNCc2ccc3c(c2)COC3)c1 344992152 JHMLTPHPAXFNJG-UHFFFAOYSA-N 295.382 3.571 30 20 CHED Cc1ncc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)s1 346466384 PVBUHRMEWHRGHC-UHFFFAOYSA-N 299.399 3.626 30 20 CHED C=CCCC1(c2nc([C@@H](C)SCC)no2)CC1 346887429 SUJLNPBBVDTJNX-SNVBAGLBSA-N 252.383 3.882 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3occc31)CC2 353429141 SGZISUHIPPELQW-IRXDYDNUSA-N 278.355 3.806 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CCC(C)C)c1ccoc1 353625582 VYUDIBMQDPCMSZ-ZBFHGGJFSA-N 265.397 3.531 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccc(C(C)(C)C)c(Cl)c1 353782159 TUEBVNNXHZZFLI-JTQLQIEISA-N 278.783 3.669 30 20 CHED C=CCOc1cccnc1-c1nc([C@H]2CCCC[C@@H]2C)no1 356581957 HLTFXINSPRZTAQ-STQMWFEESA-N 299.374 3.990 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(C2(C#N)CCCC2)n1 356582509 SFXGNYBTGIZBPT-NWDGAFQWSA-N 259.353 3.699 30 20 CHED C=C(C)CN(C)c1cc(COC)nc2ccc(F)cc12 357458062 XGRDDHFKHALAKN-UHFFFAOYSA-N 274.339 3.533 30 20 CHED C=C(C)CN(CC)c1nnc(C2CCC2)n1CC(=C)C 358827711 KILZFCNCXYJQHA-UHFFFAOYSA-N 274.412 3.524 30 20 CHED C=CCN(C(=O)CCC1CC1)c1nc2c(s1)CCCC2 359418532 CKTGGUFHRACSAO-UHFFFAOYSA-N 290.432 3.731 30 20 CHED CCC[C@@H]1C[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 360373676 GGZWYGJUBVSMKL-OWCLPIDISA-N 270.376 3.584 30 20 CHED N#CCCCc1nc(COc2ccc3ccccc3c2)no1 361022702 PFXUXFSLSXUMLU-UHFFFAOYSA-N 293.326 3.648 30 20 CHED C=CCCC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CC1 361840812 YHFAZNJUWSCXRY-CQSZACIVSA-N 288.778 3.767 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1 378140592 NUWWNLXUARSJNV-KDOFPFPSSA-N 296.414 3.742 30 20 CHED C=CCCCNC1[C@H]2CC[C@H]1Cc1ccccc1C2 381719009 IJHQFMPSRLYUFC-IRXDYDNUSA-N 255.405 3.736 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H](CO)C1CCCC1 386161489 WJUJUYONEKBSOQ-AWEZNQCLSA-N 298.308 3.540 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 398196754 ULBMMHGXNBVCJA-STQMWFEESA-N 262.353 3.990 30 20 CHED N#CCc1ccc(CSc2ccccc2O)cc1 398987395 IICQBOLHODEQNA-UHFFFAOYSA-N 255.342 3.751 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(F)(F)F)cc1 410134472 AKAWBJKDEOPDTG-GFCCVEGCSA-N 271.282 3.790 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCC(F)(F)F 412841411 PCHFWQJHFHOTAQ-ZDUSSCGKSA-N 285.309 3.633 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2ncc(C#N)cc2F)C1 413158335 RUXVTNOIJRPQRT-ZFWWWQNUSA-N 295.361 3.783 30 20 CHED CCN(Cc1occc1C)c1ccc(Cl)c(C#N)n1 413552435 KWSHHLBMTKREIY-UHFFFAOYSA-N 275.739 3.535 30 20 CHED Cc1c(NC(=O)C[C@@H]2CCC[C@H](C)C2)ccc(C#N)c1C#N 421560289 QHWLMFOBWKEACH-GXTWGEPZSA-N 295.386 3.893 30 20 CHED C=CC(C)(C)CNC(=O)C1(c2c(F)cccc2F)CCC1 421569304 LDMIYMPLLXVGAD-UHFFFAOYSA-N 293.357 3.715 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)C[C@@H]1F 425416051 HZFREUGPGWKKLX-GXFFZTMASA-N 287.787 3.664 30 20 CHED N#Cc1c(F)cccc1CNc1c(F)cccc1F 427539478 HXFQWUAESSZILR-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CCOC(=O)[C@H](Sc1ccc(C#N)cc1)c1ccccc1 434650680 PPYUPYBVGHWCDA-MRXNPFEDSA-N 297.379 3.955 30 20 CHED C=C(C)COc1cc(CN(CC)CCC)ccc1OC 434986149 FJUUHJXPNOMMJM-UHFFFAOYSA-N 277.408 3.882 30 20 CHED CC(C)CC[C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 435049358 FZTRNDOJSCAGDM-AWEZNQCLSA-N 284.403 3.531 30 20 CHED C=CCC[C@H](NC[C@H](C)N1CCCC[C@H]1C)C1CC1 439091910 XJSMQNMLKSJNAB-VYDXJSESSA-N 264.457 3.584 30 20 CHED C=C[C@@H](C)Nc1ncnc2sc3ccccc3c12 440656008 BHEQJWCVOZZZGC-SECBINFHSA-N 255.346 3.831 30 20 CHED CC[C@H](F)CSCCCOc1cccc(C#N)c1 442538814 FQDKKUAOUHZOQG-ZDUSSCGKSA-N 267.369 3.808 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(c3ccc(F)cc3)CCC2)C1 442780646 KYZBVSNXWNNMLN-CZUORRHYSA-N 272.367 3.529 30 20 CHED Cc1ccc(Br)cc1CN[C@@H]1CC[C@H](C#N)C1 442871118 VZVKBBDYXBXCAM-SMDDNHRTSA-N 293.208 3.539 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)CC#Cc1ccc(F)cc1 444656362 FAMJIAZDKPQFRO-PBHICJAKSA-N 259.368 3.688 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ccc(Br)cc1 448578773 BKDXDQPEPAFLSX-SNVBAGLBSA-N 296.208 3.839 30 20 CHED C=CCC1(C(=O)NCc2ccc(C#N)cc2)CCCCC1 448668110 ZTQLVFIWRHBFJW-UHFFFAOYSA-N 282.387 3.701 30 20 CHED C=CCC1(C(=O)NCc2ncccc2C)CCCCC1 448913852 UBUWLWVUJZZKAV-UHFFFAOYSA-N 272.392 3.533 30 20 CHED CCCN(CC#N)Cc1cc(OC)c2ccccc2c1 449016073 MHCAQFCPSJNRER-UHFFFAOYSA-N 268.360 3.584 30 20 CHED CC(C)CCN(CCC#N)Cc1ccnn1C1CCCC1 449023221 OQODDWAGDWXNKB-UHFFFAOYSA-N 288.439 3.760 30 20 CHED C[C@@H](NCc1ccnn1C1CCCC1)c1ccc(C#N)cc1 449070502 CYFYWXLPWMSZCO-CQSZACIVSA-N 294.402 3.721 30 20 CHED CC1(C#N)CCC(NCCCCCN2CCCCC2)CC1 449123295 NSFDPLUWVGXIGU-UHFFFAOYSA-N 291.483 3.705 30 20 CHED CC1(C#N)CCC(NCc2cccc(C(F)(F)F)n2)CC1 449400725 JYCBXPPDMGVKHB-UHFFFAOYSA-N 297.324 3.662 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)CCCC1 450055125 BGCFPWRJZHLLSP-CVEARBPZSA-N 293.451 3.690 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@H](C)O[C@@H]1C)c1ccccc1 451140729 CHYBFFKWORBAQQ-HDEZJCGLSA-N 259.393 3.849 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C(C)(F)F)nc1 452140050 PEIWJOWTCRDSKI-UHFFFAOYSA-N 282.334 3.525 30 20 CHED C=CCCc1noc(CCc2ccc(OC)c(Cl)c2)n1 453244403 DHDJFRFDMDHKIU-UHFFFAOYSA-N 292.766 3.635 30 20 CHED C[C@H]1CCC[C@H]1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 456031685 IUMKEPLOEFMGGY-YOEHRIQHSA-N 298.430 3.679 30 20 CHED C=CCC1(NC(=O)CC[C@H]2CCCCO2)CCCCC1 456367458 OCFQXXJTYLVPOA-OAHLLOKOSA-N 279.424 3.731 30 20 CHED C=CCC1(NC(=O)Cc2cccc(OC)c2)CCCCC1 456368644 AWBUGEMSNUQCBY-UHFFFAOYSA-N 287.403 3.633 30 20 CHED CCC[C@H](NC(=O)N(C)CC(C)(C)C#N)C1CCCC1 459314929 LJCYMKJINNAWGV-AWEZNQCLSA-N 279.428 3.536 30 20 CHED CC1(C)Cc2ccsc2CN1CC1(C#N)CCC1 459590677 YSELJLINNOKUMD-UHFFFAOYSA-N 260.406 3.579 30 20 CHED C[C@H](C(=O)N1CCC(C(C)(C)C)CC1)c1cccc(C#N)c1 462132348 QBZMMAZAPHGLDH-AWEZNQCLSA-N 298.430 3.946 30 20 CHED CCO[C@H]1C[C@H](Nc2ccc(Cl)cc2C#N)C12CCC2 462887696 BSSJTDPYOYMKKU-GJZGRUSLSA-N 290.794 3.971 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] 463658431 QOSQPFCOARHGCE-YRGRVCCFSA-N 285.347 3.847 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1CCC(C)C 466320963 RDVBSJHJSOOLKG-LSDHHAIUSA-N 266.429 3.951 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@H]1CC 466379013 URTFLTYVWQTILA-QLFBSQMISA-N 266.429 3.951 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OCC)c(OCC)c1 466386812 SHVNIPMGAWMPPE-OAHLLOKOSA-N 277.408 3.928 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1c(C)cccc1C 466530445 QWFOPJJZSQGKPR-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 466538142 AJFJFJAZZNSNGX-CYBMUJFWSA-N 290.363 3.605 30 20 CHED C=CCCN(C)C(=O)CCC(=O)c1ccc(CCC)cc1 467081704 NDNXIMSNHCFEEX-UHFFFAOYSA-N 287.403 3.637 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 467933972 SMKJBZQISJSGKY-HNWQQQBSSA-N 261.409 3.530 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2ccc(F)c(C#N)c2)cc1 468830129 FGXLZWXEYODQDK-LBPRGKRZSA-N 296.345 3.751 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C)ccc1O 470647933 FFCRFAMGUHQWJT-UHFFFAOYSA-N 295.382 3.919 30 20 CHED C=CCOCCCNC(C)(C)CCc1ccccc1 470762910 AEFROUAMZJNEDG-UHFFFAOYSA-N 261.409 3.580 30 20 CHED C=CCCCCNC(=O)[C@H](C)CCOc1ccccc1 471674879 XSVQWWMWNWTQBT-OAHLLOKOSA-N 275.392 3.564 30 20 CHED N#Cc1ccccc1Oc1nc2ccccc2cc1[N+](=O)[O-] 473517629 JATNLYSDLINMPO-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C=CCCCCNC(=O)NC1(c2ccccc2)CCC1 473941753 WJSDRNBATAVPRK-UHFFFAOYSA-N 272.392 3.721 30 20 CHED C=C(C)COCCN[C@@H](C)C1CCC(C(F)(F)F)CC1 474801073 PTSILSCYOALMRV-HSBZDZAISA-N 293.373 3.926 30 20 CHED C[C@H](CC(F)(F)F)NC(=O)c1ccc(C(C)(C)C#N)cc1 476691212 BLXRFMWCPZQKBW-SNVBAGLBSA-N 298.308 3.558 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C#N)ccc1C 476814692 LBEZOGRTNLAOAW-HUUCEWRRSA-N 285.391 3.957 30 20 CHED C=CCOCCCOc1ccc2ccc(OC)cc2c1 478814198 NRLMYXYIFAUCOT-UHFFFAOYSA-N 272.344 3.820 30 20 CHED C=C(C)COCCNC(=O)c1csc2cc(C)ccc12 480509702 NHZWXZVGWVWOLX-UHFFFAOYSA-N 289.400 3.532 30 20 CHED N#Cc1ccncc1N[C@H]1CC[C@H](c2cccc(F)c2)C1 480783313 CMNBCDKUGZNMTQ-BBRMVZONSA-N 281.334 3.841 30 20 CHED Cc1nc(N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)ccc1C#N 488088955 YRDRKIYKYMVSPD-LRDDRELGSA-N 295.361 3.783 30 20 CHED C=CCn1cccc1C(=O)N1CCCC[C@H]1[C@@H](C)CC 488735156 NHHFLQZCDCEJJZ-GJZGRUSLSA-N 274.408 3.715 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F 489088273 BBNUPPLOAQXSPK-QJPTWQEYSA-N 292.345 3.714 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](c1ccccc1C)C1CC1 491114138 OOCLFLMAOLLYOQ-KRWDZBQOSA-N 284.403 3.830 30 20 CHED C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C(C)(C)C 491288280 QMOSRVJSHCBBFG-WOPDTQHZSA-N 289.341 3.519 30 20 CHED C#C[C@@H](NCc1ccc(C)nc1)c1ccc(Cl)cc1F 491405179 HGIFCOVNNDEXCR-MRXNPFEDSA-N 288.753 3.647 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 497196653 BDPYPQDSBUTIMH-RRFJBIMHSA-N 276.424 3.601 30 20 CHED N#Cc1cccc(CNC(=O)NCCCCC2CCCC2)c1 497486877 COGRFRGHSCQNCQ-UHFFFAOYSA-N 299.418 3.718 30 20 CHED CCc1cc(NCc2cccc(C#N)c2)ccc1F 506295088 ODMSSPYKRWTAJL-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CC[C@H](C(C)(C)C)C1 508871280 DUAYUYRHLQTQGQ-KBPBESRZSA-N 290.455 3.850 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)CCc1ccccc1 508876578 YEHIIOKADQVXNA-OAHLLOKOSA-N 298.434 3.657 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2cccc(C#N)c2C)c1 509528914 SDJCPIYKTFVHGA-HNNXBMFYSA-N 292.382 3.975 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(C#N)cc1 510586824 BZOSEDXAKORLMZ-ZFWWWQNUSA-N 270.376 3.504 30 20 CHED C[C@H]1CC[C@H](NC2CCN(c3ccc(C#N)cc3)CC2)CC1 513696762 DFOMKTOODLNWDK-JCNLHEQBSA-N 297.446 3.695 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)NC1(C#N)CCCCC1 523354823 OGHMFDHIMUUWMK-UONOGXRCSA-N 262.397 3.545 30 20 CHED C[C@@H](CC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccco1 527849488 UHRWJKVAYASBEK-STQMWFEESA-N 282.343 3.522 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(F)cc1C#N 531192238 DHKVRTXNFCABEB-NWDGAFQWSA-N 274.339 3.852 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(-c2cnc[nH]2)cc1 531569672 WITFXWBOZHYXKC-UHFFFAOYSA-N 281.359 3.784 30 20 CHED C[C@H](CNCc1ccc(C#N)cc1F)Cc1cccs1 532987141 SADFLKBZPVMTLD-LBPRGKRZSA-N 288.391 3.727 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)CCC(C)(C)C)OCC 535211061 PLPLMYRXOQSTCQ-KBPBESRZSA-N 269.429 3.689 30 20 CHED C[C@H](c1ccccc1)N1CC[C@H](Nc2cccc(C#N)c2)C1 538862550 LTHNGKHIBZTRDQ-BEFAXECRSA-N 291.398 3.806 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)NCc1ccccc1C 539094831 SDWDOMVCCAXKFM-AWEZNQCLSA-N 277.433 3.699 30 20 CHED C=CCC[C@@H](CCC)NCC1([C@H](O)C(C)C)CC1 540607464 NMFYUGJPACHURU-HUUCEWRRSA-N 253.430 3.508 30 20 CHED Cc1cc(CN(CCC#N)C(C)C)cc2cccnc12 541534611 ANYIEZHRHLVTGR-UHFFFAOYSA-N 267.376 3.667 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3cc(F)ccc3C#N)C2)c1 543254163 UCZHOBQEXLLROD-QGZVFWFLSA-N 294.373 3.995 30 20 CHED C=CCOCCN[C@H](Cc1ccccc1)c1cccs1 549931822 KUERVBODKNMCMX-MRXNPFEDSA-N 287.428 3.824 30 20 CHED Cc1c(C(=O)N2CC[C@@H](C)[C@H]2C)sc2ccc(C#N)cc12 551705663 IJMVWSIKKHOKQF-ZYHUDNBSSA-N 298.411 3.952 30 20 CHED C/C(=C/c1ccccc1OC(F)F)CN(C)C[C@H](C)C#N 555092560 IZLLGZDHRDVVKG-LLBKUYECSA-N 294.345 3.783 30 20 CHED C[C@](C#N)(NC(=O)c1cccc(F)c1F)C1CCCCC1 555904981 SBAFNSYYXYGSDO-MRXNPFEDSA-N 292.329 3.557 30 20 CHED N#Cc1cccc(Sc2cc(Cl)ccc2F)n1 557682972 XTJBBTVMGMSSLV-UHFFFAOYSA-N 264.712 3.897 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCC(C1CC1)C1CC1)CC2 562794541 ABZYNICNOFTIPJ-SFHVURJKSA-N 266.388 3.571 30 20 CHED N#CCC[C@@H](C#N)CN[C@@H]1CCCCC12CCCC2 564868667 HSIHFWGQQIIEJU-LSDHHAIUSA-N 259.397 3.523 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc2cccc(C)c2s1 570076658 CWWBCGLIMVDGLT-HNNXBMFYSA-N 272.373 3.632 30 20 CHED COc1ccccc1/C=C\CN1CCCC(C)(C)[C@@H]1C#N 579795460 JMBMSCNKUHXGTJ-SKHCZCESSA-N 284.403 3.723 30 20 CHED Cc1ccc(C(C)(C)CNc2cccnc2C#N)cc1 582035215 QGGCVPIDIXQULL-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=CCCC(=O)Nc1nc(C)c(Cc2ccccc2)s1 588029952 QNENQWURDIEVST-UHFFFAOYSA-N 286.400 3.947 30 20 CHED N#CCCCCCc1nc(-c2cccc3ncccc23)no1 589153364 XVALDZZJVAFTIG-UHFFFAOYSA-N 292.342 3.911 30 20 CHED COc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1O 589340350 ATOFHMHRRPGLAB-OLZOCXBDSA-N 296.370 3.684 30 20 CHED N#Cc1cccc(-c2nc(CCC3CCCCC3)no2)n1 589365080 NDMHPIURICBECW-UHFFFAOYSA-N 282.347 3.516 30 20 CHED C=C(C)CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 590170875 COPLSRDOZGXJNR-UHFFFAOYSA-N 288.269 3.622 30 20 CHED CCCCc1ccc(C(=O)N(C)CC(C)(C)C#N)cc1 590494580 LOTRQSFCHQTLLV-UHFFFAOYSA-N 272.392 3.651 30 20 CHED CCc1c(C(=O)N2CCC[C@@](C)(C#N)C2)oc2ccccc12 590705851 NWNQKBYLCCTTCH-SFHVURJKSA-N 296.370 3.761 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C 593606217 CBNXYUXPNMPYKC-UNEWFSDZSA-N 284.403 3.612 30 20 CHED Cc1cc(NC(=O)N2CCC[C@](C)(C#N)C2)ccc1Cl 594202104 SPCBREVBQXJEDJ-OAHLLOKOSA-N 291.782 3.806 30 20 CHED Cc1ccc(CSc2nc3c(cc2C#N)CCCC3)cn1 594443866 WBMOIGBMYOLAQM-UHFFFAOYSA-N 295.411 3.828 30 20 CHED Cc1cccc(-n2cc(CC3(C#N)CCCCC3)nn2)c1 594644369 JJSNELZGAGUIAJ-UHFFFAOYSA-N 280.375 3.592 30 20 CHED CC[C@H](CNC1(c2cccc(C#N)c2)CC1)CC(F)F 595419450 XULMKENLTSQDQZ-LBPRGKRZSA-N 278.346 3.818 30 20 CHED CCN(c1nc(C#N)c(Cl)s1)[C@H](C)c1cccnc1 596129620 UTUZGULAECESMO-SECBINFHSA-N 292.795 3.651 30 20 CHED CCc1cccnc1-c1noc(CC2(C#N)CCCCC2)n1 596583253 RKXHPTDFPMFAQM-UHFFFAOYSA-N 296.374 3.711 30 20 CHED CC1(C)CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 596635762 FPUAZUHHHABRTK-UONOGXRCSA-N 291.439 3.536 30 20 CHED COCCCOc1ccc(-c2cc(C#N)ccc2C)cc1 596644318 CMQBBJAATLWGEY-UHFFFAOYSA-N 281.355 3.949 30 20 CHED CC(C)C(NC(=O)CC1(C#N)CCCCC1)C(C)C 597411141 BMFMUQIGQHVZHW-UHFFFAOYSA-N 264.413 3.647 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(Cl)ccc1NC(C)C 597894185 JRUQHTIBJMDVOK-JTQLQIEISA-N 279.771 3.649 30 20 CHED C[C@H](C#N)N(C(=O)CCC(C)(C)c1ccccc1)C1CC1 598132362 HUHVJVTUEHEPOS-CQSZACIVSA-N 284.403 3.647 30 20 CHED CCN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)[C@H](C)C#N 598359653 MCHWGBFWXWGWOX-FSPWUOQZSA-N 292.382 3.704 30 20 CHED C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc2ccccc12 598599446 IYWAIGVVCIFAPA-GOEBONIOSA-N 296.414 3.791 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C2CCC(C)(C)CC2)n1 598854143 QJFKJGBBCYUGPV-UHFFFAOYSA-N 285.391 3.725 30 20 CHED C[C@@H](CCc1c[nH]c2ccccc12)NCCCCC#N 601267212 IMMKHFWBAAXGDA-AWEZNQCLSA-N 269.392 3.772 30 20 CHED COc1ccc(CN(C[C@@H](C)CCC#N)C2CC2)cc1 602437800 YDUOBHXJQWFBGO-AWEZNQCLSA-N 272.392 3.599 30 20 CHED Cc1ccc(CC(C)(C)NC[C@@H](C)CCC#N)cc1 602697022 SKXDHRGQJLHBAB-HNNXBMFYSA-N 258.409 3.846 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 603064495 GSQSIQPZQGRQKT-GFCCVEGCSA-N 287.338 3.517 30 20 CHED CCC(CC)N(CCOc1ccccc1C#N)C1CC1 604434826 WZOSIPDJJDWEBA-UHFFFAOYSA-N 272.392 3.590 30 20 CHED C=CCCCN1CCC[C@H]1c1ccc(OC)cc1OC 605149624 GKKLTXHQBZXREI-INIZCTEOSA-N 275.392 3.807 30 20 CHED CC(C)(C)CCCCNC(=O)c1cccc(C#N)c1 609179382 RHBYIJKTNRRZKG-UHFFFAOYSA-N 258.365 3.504 30 20 CHED N#Cc1cc(C(=O)N2C3CCCC2CCC3)ccc1Cl 612474928 RZXOZHYMUQDADX-UHFFFAOYSA-N 288.778 3.759 30 20 CHED C=CCCNC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 617616212 NFUMLCBACGLDQS-ZDUSSCGKSA-N 285.309 3.891 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(c3cccc(OC)c3)CC2)C1 617779196 XAJYCFJNJWMVOB-OAHLLOKOSA-N 299.414 3.542 30 20 CHED C[C@@H]1CCC[C@H](N[C@H]2CCc3cc(C#N)ccc32)[C@@H]1C 618807220 WGGUZNJENUGFEE-OSLDLMBLSA-N 268.404 3.960 30 20 CHED N#Cc1ccc(NCc2cc(Cl)cc(Cl)c2)cn1 619735452 UPVIQURZORYPPP-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(C)(c2ccccc2)C1 621497071 GGDAPXPZWBKRCM-OAHLLOKOSA-N 286.419 3.714 30 20 CHED C=CCCC(=O)N1CCC[C@@]1(C)Cc1ccccc1F 648526573 YBCYXWCVQBTSTB-KRWDZBQOSA-N 275.367 3.716 30 20 CHED C=C[C@](C)(CC)c1nc([C@@H]2CCOC(C)(C)C2)no1 651440149 BYKXYFYRYWQXJK-IAQYHMDHSA-N 264.369 3.596 30 20 CHED C=CCC1(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)CCOCC1 657632130 ACVZGNLDXWOJMN-OVYGPGRDSA-N 275.436 3.526 30 20 CHED C=CCC[C@H](CCC)NCc1c(C2CC2)cnn1C 658213473 PGRDIQGKDBXDAQ-AWEZNQCLSA-N 261.413 3.522 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1c1c(C)cccc1C 660881760 OLHPHNCDBNKRDB-GJZGRUSLSA-N 272.392 3.724 30 20 CHED C=CCC(CC=C)c1nc([C@H](CC)OCC)no1 665037424 FOXVZEONEOALDZ-LBPRGKRZSA-N 250.342 3.793 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCO[C@H](c2ccccc2)C1 682360126 KNLPEZVKQLBYNV-WMZOPIPTSA-N 287.403 3.579 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(CCC)cc1 684767228 FDSVORHWPOXUJU-QZTJIDSGSA-N 273.420 3.710 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@H](C2CC2)C1 685859220 QTOVZWZAXLWFPZ-OAHLLOKOSA-N 285.387 3.514 30 20 CHED Cc1cc(C(=O)Nc2cccc(CC#N)c2)c(C)s1 701337306 QUMOFQUFJVWSLM-UHFFFAOYSA-N 270.357 3.683 30 20 CHED C#CCCOC(=O)CCC(=O)c1ccc(CCCC)cc1 727041784 FFTMETCKKBHZLZ-UHFFFAOYSA-N 286.371 3.559 30 20 CHED CC[C@H](Cc1ccccc1)/N=C/c1cc(OC)ccc1O 727781846 YMMCVFRKIRHCIJ-CXDFQFJYSA-N 283.371 3.841 30 20 CHED Fc1ccc(NN=C2CCCOc3ccccc32)cc1 728427090 IBWHPFVJEOCOGO-UHFFFAOYSA-N 270.307 3.815 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)nc1 728798874 MJUQXTHXXDQEKX-UHFFFAOYSA-N 291.137 3.622 30 20 CHED c1ccc(CCCNN=C2CCCOc3ccccc32)cc1 729144902 BSCGSCFZGZQTIB-UHFFFAOYSA-N 294.398 3.786 30 20 CHED C=CCNC(=S)N[C@@H](c1ccc(Cl)cc1)C1CCC1 729163954 XTJXMQSCWGXDRQ-CQSZACIVSA-N 294.851 3.831 30 20 CHED CC(CCc1ccco1)=NN=c1cc[nH]c2ccccc12 730148161 YTTFNZDVEVDFJZ-UHFFFAOYSA-N 279.343 3.670 30 20 CHED CCc1ccc(CCOC(=O)c2ccccc2CC#N)cc1 734568307 RIWNSHJOFXKOKB-UHFFFAOYSA-N 293.366 3.715 30 20 CHED CC[C@H]1CCCC(=NNC(=S)NCc2ccccc2)C1 734977265 LFPARAYMVXXBOT-ZDUSSCGKSA-N 289.448 3.607 30 20 CHED C=CCCCOC(=O)c1c(C)nn(Cc2ccccc2)c1C 735525877 QADKVXFQZCXSJT-UHFFFAOYSA-N 298.386 3.671 30 20 CHED Cc1ccc2[nH]cc(C=NNc3cccc([N+](=O)[O-])c3)c2c1 735609745 ZGJRQLOJTYSJIT-UHFFFAOYSA-N 294.314 3.831 30 20 CHED C=C(C)CNC(=S)N(C)[C@H](C)Cc1ccc(Cl)cc1 736446136 JBXGEHYLLXRSKQ-GFCCVEGCSA-N 296.867 3.653 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)c1ccc(CC)cc1 741642449 KFZNFAGSASDSCU-UHFFFAOYSA-N 297.329 3.652 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)[C@@H]1CCOC1 741761405 CSAUUVHPQQXJDZ-CXAGYDPISA-N 274.408 3.873 30 20 CHED C=CCOCCCC(=O)Oc1cc(Cl)cc(Cl)c1 742499257 VGKFVLFIZCRBPU-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 744371245 OTKPOOVZJRBNSV-VIFPVBQESA-N 296.292 3.952 30 20 CHED C=C(C)CNc1cccc(COCCOCC)c1C 745994254 QDRPMCAHLAQTPP-UHFFFAOYSA-N 263.381 3.536 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 746369213 ORTQUCBWGLSVML-NSHDSACASA-N 284.319 3.581 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1ccccn1 747634834 BJVAAKZVCTWJMV-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C=CCCCC(=O)OCC(=O)c1ccc(C(C)C)cc1 748227471 SRNZJJQSBMSLKP-UHFFFAOYSA-N 274.360 3.892 30 20 CHED C=C(Br)CN1CC[C@@H]1c1ccc(Cl)cc1 749115289 QQLHKPIIBOSQEC-GFCCVEGCSA-N 286.600 3.995 30 20 CHED Cc1ccc(F)cc1C(=O)OC[C@@H](C#N)Cc1ccccc1 750786898 LHKPFSSMNQLNRF-OAHLLOKOSA-N 297.329 3.673 30 20 CHED CCOc1ccc(C(C)=NNc2ccc(OC)cc2)cc1 750924955 OSBHFGMGOFBCRI-UHFFFAOYSA-N 284.359 3.930 30 20 CHED C#C[C@H](C)OC(=O)c1cc(C2CC2)nc2ccc(C)cc12 751847659 BYBSGYBGRFYZKM-LBPRGKRZSA-N 279.339 3.599 30 20 CHED Clc1cccnc1NN=C[C@@H]1CCOc2ccccc21 752163941 GDYPFXMOMJKKDD-NSHDSACASA-N 287.750 3.699 30 20 CHED CCCCCCCN[C@H](CCO)c1cccs1 754387821 YMDGZCLVTHAJDE-CYBMUJFWSA-N 255.427 3.732 30 20 CHED Fc1cccc(Cl)c1CCC=NNc1ccccn1 755519481 NCIIVMXYJCPSDM-UHFFFAOYSA-N 277.730 3.905 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cc(C)c(C)cc1C 755816141 SWUGADJEMSWOHM-MRXNPFEDSA-N 261.365 3.879 30 20 CHED C[C@@H](C#N)OC(=O)CCCc1cc(Cl)sc1Cl 756511496 IPBNYTMOWCIPJX-ZETCQYMHSA-N 292.187 3.833 30 20 CHED N#CCC1(COC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 756565864 BJVRIXQOHNUWHQ-SOUVJXGZSA-N 275.392 3.830 30 20 CHED C#CC[C@H](NCc1cnc(C2CC2)s1)c1ccccc1 756996579 QGJZHENGEIOZKE-INIZCTEOSA-N 282.412 3.875 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ccc(C#N)c(C(F)(F)F)c1 758375275 PCCHGXKXRUZMQI-WCBMZHEXSA-N 267.254 3.631 30 20 CHED C=C(Cl)COC(=O)c1cnc(C)c(Cl)c1Cl 758516950 QOCFIXRLAINANJ-UHFFFAOYSA-N 280.538 3.606 30 20 CHED COc1cc(F)c(C(=O)/C=C\c2cccs2)cc1OC 760268636 BCFFRKXTCLZBCG-WAYWQWQTSA-N 292.331 3.801 30 20 CHED FC(F)(F)c1ccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)nc1 762417801 JNWJZTYPOVZQQN-DCAQKATOSA-N 283.297 3.934 30 20 CHED C#CCN(C(=O)N[C@@H](C)CCC1CCCCC1)C1CC1 764727745 ZQQWGPWOFSKWQK-AWEZNQCLSA-N 276.424 3.543 30 20 CHED Cc1cc(C(=O)Oc2ccc(C#N)c(C)c2)c(F)cc1F 765091850 NHOZRIVSWOPDOU-UHFFFAOYSA-N 287.265 3.673 30 20 CHED C#CCC(C)(C)C(=O)OCCCc1cccc(C)c1 767667033 WUIILUWTYUDSOK-UHFFFAOYSA-N 258.361 3.520 30 20 CHED Cc1ccc(CNCc2cc(C#N)ccc2F)cc1Cl 767692024 SLMLDFVSEVJZBE-UHFFFAOYSA-N 288.753 3.949 30 20 CHED N#Cc1ccc(NCc2cccnc2Cl)c(Cl)c1 767808390 KZEYDDXJJAZKMG-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C/C(=C\C(=O)OCc1ccccc1C(C)(C)C#N)C1CC1 768011573 CZBIDNPOYHJIQB-JLHYYAGUSA-N 283.371 3.887 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccc(F)c([N+](=O)[O-])c2)C1 769829016 NYMOSFJZYKBION-MNOVXSKESA-N 279.315 3.958 30 20 CHED COc1ccsc1[C@@H](C)NCc1cc(C#N)ccc1F 769971479 PKVDXDNMHJSSNI-SNVBAGLBSA-N 290.363 3.618 30 20 CHED C[C@@H](C#N)COC(=O)c1cc2c(Cl)cccc2s1 770940968 FPAFHEROZQAYHI-QMMMGPOBSA-N 279.748 3.871 30 20 CHED N#Cc1ccc(/C=C2/Oc3c(Cl)cccc3C2=O)c(F)c1 772805327 GFARFWIWBJGKDZ-VGOFMYFVSA-N 299.688 3.967 30 20 CHED CC(C)c1nccnc1NN=C1CCC2(CC1)CC2 773077213 DSEFKJBFIBOORR-UHFFFAOYSA-N 258.369 3.722 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@@H](C)[C@@H](C)C1 773092582 GJIYXLWGLOIUDJ-NEPJUHHUSA-N 260.385 3.824 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1cc(Cl)nc(C)n1 773203580 RQUOQRKXQODSFN-PWSUYJOCSA-N 278.787 3.829 30 20 CHED N#Cc1cccc(COC(=O)c2c[nH]c3ccccc23)c1F 774911298 AVIPLPVQPDREMQ-UHFFFAOYSA-N 294.285 3.536 30 20 CHED CCn1c(C)cc(C(=O)OCc2ccc(CC#N)cc2)c1C 776111091 AFAPNYGTRYWWIV-UHFFFAOYSA-N 296.370 3.548 30 20 CHED C/C(=C\C(=O)OCc1ccc(CC#N)cc1)C(C)(C)C 776112184 DSCXFBNYAUTCOZ-ACCUITESSA-N 271.360 3.788 30 20 CHED C[C@H](C#N)Oc1ccc(C=NOC2CCCCC2)cc1 777458625 IDKJOMMSYKYKQS-CYBMUJFWSA-N 272.348 3.661 30 20 CHED C=CC[C@H](C(=O)Nc1ccnn1CC1CC1)c1ccccc1 777741920 ARTOXFNEKXNNPY-INIZCTEOSA-N 295.386 3.592 30 20 CHED Cc1cccc(/C=C/C(=O)c2cscn2)c1OC(F)F 777920441 OCVICGFTOQBCHB-AATRIKPKSA-N 295.310 3.949 30 20 CHED C=CC[C@H](C(=O)OCc1ncc(CC)o1)c1ccccc1 778418493 MYUZNBSHHJVNPX-HNNXBMFYSA-N 285.343 3.640 30 20 CHED C[C@@H]1CC(C(=O)OCCC(C)(C)C#N)C[C@@H](C)C1 780237338 ZAEKLZQWQFDXAD-RYUDHWBXSA-N 251.370 3.542 30 20 CHED N#Cc1ccc(CNc2ncc(-c3ccccc3)s2)nc1 780612463 XWGCCVWIVGOBTE-UHFFFAOYSA-N 292.367 3.689 30 20 CHED Cc1cccnc1C=NNc1nc2ccccc2cc1C 781594816 HKMBJCGZYXZGGO-UHFFFAOYSA-N 276.343 3.693 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1c(C)nn(C(C)C)c1C 782285625 BZKBKZBIFVODLR-HNNXBMFYSA-N 290.455 3.973 30 20 CHED Fc1cc(NN=C2CCC[C@H](C(F)(F)F)C2)ccn1 783524781 QFLIQWHKQGDYHL-QMMMGPOBSA-N 275.249 3.741 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1Cl)c1cscn1 783713935 XFRQBYYHEHXZHF-DUXPYHPUSA-N 294.719 3.601 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2nc(-c3ccncc3)no2)C1 783840436 JFOAEVGTLKWPKW-QWHCGFSZSA-N 299.378 3.746 30 20 CHED C=CCCCCCOC(=O)c1ccc(C(C)=O)cc1F 784569160 AGRFLBOVXIKOTM-UHFFFAOYSA-N 278.323 3.932 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(=O)oc2cc(CC)ccc12 785997313 LDWHNAFZZLACDW-MRXNPFEDSA-N 297.398 3.896 30 20 CHED N#Cc1cc(C(=O)OCc2cccc(Cl)c2Cl)c[nH]1 786909236 CPCBPBAKQYOSDU-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C#CCN(C)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 788030573 WQAWRDGRTHUSDY-UHFFFAOYSA-N 294.354 3.884 30 20 CHED COc1cc(NN=C(C)c2cncc(F)c2)ccc1Cl 788472224 QFHSZTPAGAVJKL-UHFFFAOYSA-N 293.729 3.719 30 20 CHED Cc1ccsc1C=NNc1cccc(F)c1[N+](=O)[O-] 790310330 DRMQNRPORLUSSV-UHFFFAOYSA-N 279.296 3.550 30 20 CHED C[C@H](NN=Cc1cccc(Cl)c1F)C(C)(C)C 793112163 QURHUQWRVHNLBH-VIFPVBQESA-N 256.752 3.837 30 20 CHED CC(C)[C@@H]1CCCC(=NNc2nc(-c3ccncc3)no2)C1 794502347 QUCMNDNRBYXJPB-CYBMUJFWSA-N 299.378 3.746 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1cccc(F)n1 795006613 QMEDVTIINWWFCE-UHFFFAOYSA-N 277.730 3.905 30 20 CHED CSc1ccc(CC/N=C\c2ccccc2O)cc1 797784742 HBAVCBMUXNEDOR-ATVHPVEESA-N 271.385 3.776 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)oc1C)c1ccccc1 797887638 OAIKABIAUNMTRT-OAHLLOKOSA-N 269.300 3.768 30 20 CHED CC[C@H](COC(=O)c1cc(C#N)oc1C)c1ccccc1 797948438 RVFBYYMPZISFLD-CYBMUJFWSA-N 283.327 3.810 30 20 CHED C#C[C@@H](Nc1nc(C(F)F)nc2ccccc12)C(C)C 798409080 PPPHNJVJJALIHY-LLVKDONJSA-N 275.302 3.637 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(N)c([N+](=O)[O-])c1 799108859 MMMSUINMNJJYCF-UHFFFAOYSA-N 298.346 3.576 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NOCC(F)(F)F)C1 799111858 MBGMSESJJXMONN-NSHDSACASA-N 286.297 3.983 30 20 CHED CCCCN(CCCC)C(=O)c1ccc(C)c(C#N)c1 799303932 OSUYWHIXFZJGSG-UHFFFAOYSA-N 272.392 3.909 30 20 CHED C=C(C)CNc1cccc(C[S@@](=O)c2ccccc2)c1 799592432 LMEZWIQQMABPMB-HXUWFJFHSA-N 285.412 3.982 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(OCC(F)(F)F)cc2)C1 799720485 ISLBAISEQZRZDH-PWSUYJOCSA-N 284.281 3.732 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCCc1ccccc1Cl 803781706 GCABCMGQOBJFTJ-HNNXBMFYSA-N 279.767 3.756 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C2CC2)sc2cc(F)ccc12 805890717 WOJSUVYMEGMFOQ-GFCCVEGCSA-N 289.331 3.808 30 20 CHED C=CCCCCCCNC(=O)N[C@H]1CC=CCC1 806834083 VGONDUKFUWOHBJ-AWEZNQCLSA-N 250.386 3.531 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ccccc1S(C)(=O)=O 807971121 JDLURBHDLOFBRY-GFCCVEGCSA-N 296.436 3.704 30 20 CHED C=CCCCCCCNCc1cnc2cccc(C)n12 808418897 HKJXQQJWELLTQO-UHFFFAOYSA-N 271.408 3.869 30 20 CHED C#C[C@H](NC(=O)CSCCCC)c1ccc(Cl)cc1 811951278 ZCAQOCZFHWONFR-AWEZNQCLSA-N 295.835 3.664 30 20 CHED CCOc1c(Cl)cc(C=NOC2CCC2)cc1OC 812235596 YXDDWRSGTPLBGL-UHFFFAOYSA-N 283.755 3.650 30 20 CHED CC(C)OCCON=C1CC[C@@H](C)c2ccccc21 812238597 AKIRNJICJBYNAX-CYBMUJFWSA-N 261.365 3.730 30 20 CHED C=CCCCCCCCNC(=O)N(C)Cc1ccncc1 812495165 KSZVUUXNQANXCL-UHFFFAOYSA-N 289.423 3.750 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1csc(C(=O)O)c1 814753221 IFBUOBLPHRQEFN-UHFFFAOYSA-N 288.372 3.899 30 20 CHED c1ccc(CON=C2CC[C@H]3CNc4cccc2c43)cc1 814792689 VWLROVKCAQLSMR-AWEZNQCLSA-N 278.355 3.910 30 20 CHED Cc1cc(C)c(NN=C2CC[C@H](CC(=O)O)[C@@H]2C)c(C)c1 814860332 PMCSDUQCFNOALY-UONOGXRCSA-N 288.391 3.901 30 20 CHED C#Cc1cccc(NCc2ncc(CSC)s2)c1 815134620 AEQZBUPUJPSOAQ-UHFFFAOYSA-N 274.414 3.600 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)CCCN)cc1 817977755 OERUFNURZWDVJD-KBPBESRZSA-N 296.842 3.596 30 20 CHED C#C[C@@H](NC(=O)N(CC)C1CCC1)c1ccc(Cl)cc1 820573721 ZQKYSPSXWICTHG-OAHLLOKOSA-N 290.794 3.598 30 20 CHED C#C[C@H](NC(=O)N(CC1CCC1)CC1CC1)c1ccccc1 820591139 OCFBKGNFMXTSTG-SFHVURJKSA-N 296.414 3.583 30 20 CHED C#C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)C(C)C 821567260 JHBOHAFNEYCOQZ-LSDHHAIUSA-N 288.391 3.564 30 20 CHED C=CC(C)(C)C(=O)Nc1nnc(C2CCCCC2)s1 822686226 LHUWSIZELQDJSQ-UHFFFAOYSA-N 279.409 3.737 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(C(=O)O)cc1 825804806 XCUIZJHOEGNUMR-UHFFFAOYSA-N 268.316 3.529 30 20 CHED c1ccc2sc(NN=C3CCOC4(CCC4)C3)nc2c1 834913547 ASHISNKYABEDPP-UHFFFAOYSA-N 287.388 3.797 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCCCCCCC1 834931339 YHJBDJZQWNINAG-UHFFFAOYSA-N 274.412 3.502 30 20 CHED C[C@@H](OC(=O)C#CC(C)(C)C)c1ncc(C(C)(C)C)o1 838373152 XTXWHMYUIFMQPW-LLVKDONJSA-N 277.364 3.626 30 20 CHED CC(C)c1scnc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839063264 QPZJJKNULAVURH-MNOVXSKESA-N 278.377 3.506 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 841240186 OTBNHLBKOZCKCU-ACCUITESSA-N 285.391 3.618 30 20 CHED Cc1ccc(N(C)C(=O)C2(C#N)CCCCC2)c(F)c1 841329355 XWOVXVINHRHGFQ-UHFFFAOYSA-N 274.339 3.571 30 20 CHED C=C(C)CON=C(C)c1[nH]c(-c2ccccc2)nc1C 844617176 JVOXGUYGTVNKFQ-UHFFFAOYSA-N 269.348 3.702 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cccc(OC)c1O 846158763 KMNQHZATIWKEGA-OLZOCXBDSA-N 263.381 3.796 30 20 CHED C=C[C@H](C)ONC(=O)CCC[C@@H](C)c1cccc(OC)c1 846555962 WAFKUIHDHQFSIY-KGLIPLIRSA-N 291.391 3.591 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1nc(C)oc1C 847744451 QRSHWRPWLAPHLB-DDTOSNHZSA-N 277.364 3.829 30 20 CHED C=CCC1(NCc2ccc(OC(C)=O)cc2)CCCC1 852588069 NTNCAKXXKLRZRL-UHFFFAOYSA-N 273.376 3.590 30 20 CHED Cc1ccc(NN=C2CCC(C3CCC3)CC2)nn1 853304538 QWNCVDSYPOJJPD-UHFFFAOYSA-N 258.369 3.543 30 20 CHED C#Cc1cccnc1N1CCC(c2ccccc2F)CC1 853353245 VOIMJQSOWUJTCK-UHFFFAOYSA-N 280.346 3.586 30 20 CHED COc1ccc(-c2ccc([C@@H](O)C3CC3)cc2)cc1C#N 854188940 NIEXNMZDWUSFBR-GOSISDBHSA-N 279.339 3.677 30 20 CHED C=CCCCCCCNC(=O)c1ccc2c(c1)CCOC2 854452133 OYCREDMSWJXYGQ-UHFFFAOYSA-N 287.403 3.626 30 20 CHED CCC[C@H](CNc1nc2ccccc2cc1C#N)OCC 858656994 PRHWGAVDSWTMGI-OAHLLOKOSA-N 283.375 3.724 30 20 CHED CCCCCCCNC(=O)[C@@H](C)n1cnc2ccccc21 862357965 OEBKHTJVUGYXJV-CQSZACIVSA-N 287.407 3.684 30 20 CHED CC(C)(C#N)C(=O)OCc1cc(Cl)cc(Cl)c1F 869355267 XGMBOVWUQQDITN-UHFFFAOYSA-N 290.121 3.725 30 20 CHED C=C[C@H](CC(=O)OC1CCSCC1)c1ccccc1 873557256 JVLDMQWLZQOTFJ-CYBMUJFWSA-N 276.401 3.785 30 20 CHED COc1ccc2cc(CNC[C@H](C)CCC#N)ccc2c1 876908720 PYCYJAPPEZAOLN-CQSZACIVSA-N 282.387 3.878 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]1c1ccccc1C 880533501 KRWUFLICHGSLCR-LSDHHAIUSA-N 257.377 3.569 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1cc(C#N)ccc1F 888368881 DRAYMXVNLFMKOP-UHFFFAOYSA-N 277.343 3.597 30 20 CHED CCCCCC[C@H](C)CC(=O)Nc1c(C#N)c(C)nn1C 892623128 AEVMXVNSRAQCSB-LBPRGKRZSA-N 290.411 3.535 30 20 CHED C=C1CC(c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 896883693 SHBFYAXTJCZHIH-UHFFFAOYSA-N 299.330 3.737 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1coc(C(C)(C)C)n1 899421650 HFTNEQVDOKFKGY-HXUWFJFHSA-N 296.436 3.551 30 20 CHED CS[C@@H]1CCCC(=NNc2ncnc3ccsc23)C1 901209463 ZWBABBUOTFGSKA-SNVBAGLBSA-N 292.433 3.765 30 20 CHED C=C(C)C[C@@H](NCCc1ccc(C(C)(C)C)cc1)C(=O)O 901679397 NJRCPCBUZJZYGO-MRXNPFEDSA-N 289.419 3.536 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(C#N)cc1Cl 903989929 ASWFJIVMUCIDSV-JTQLQIEISA-N 262.740 3.752 30 20 CHED N#CCCCOc1cccc(CNc2cc(F)ccn2)c1 905419737 ATLOTMHGKXCDDJ-UHFFFAOYSA-N 285.322 3.515 30 20 CHED C=CCN(C(=O)c1oc2ccc(F)cc2c1C)C(C)C 914682917 RQMDPZJHJDOBNF-UHFFFAOYSA-N 275.323 3.917 30 20 CHED CCOc1cccc(C=NNc2ccc(C)cc2)c1 915936400 VWNHMNYHLBXIFU-UHFFFAOYSA-N 254.333 3.840 30 20 CHED N#Cc1ccc(NN=Cc2ccccc2OC(F)F)cc1 915961303 FKWSOVSLBKNNQB-UHFFFAOYSA-N 287.269 3.606 30 20 CHED CC(=NNc1nc2ccccc2s1)c1ccco1 916246585 MNSROJJXWYIEDS-UHFFFAOYSA-N 257.318 3.725 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1CC[C@@H]1c1ccccc1 918573556 XUDXWNVCSZWKHR-DOJUMQAQSA-N 288.350 3.545 30 20 CHED C=C(Cl)COC(=O)c1c[nH]cc1-c1ccccc1 919151313 XLIXCXFOTBTKPY-UHFFFAOYSA-N 261.708 3.591 30 20 CHED N#C[C@H](C(=O)C=C1CCCC1)c1nc2ccccc2o1 920115906 OPRZXUXOZMEBJX-GFCCVEGCSA-N 266.300 3.504 30 20 CHED N#Cc1ccc(CNC2CC3(CCCC3)C2)cc1F 926549248 FSBBWGYJMSAISA-UHFFFAOYSA-N 258.340 3.510 30 20 CHED C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C#N)C1 928219833 CSJLVJVQEDLSKH-BRADTZPFSA-N 288.778 3.505 30 20 CHED Cc1noc(C)c1[C@H](C)NCCCCC1(C#N)CCC1 930221490 GUIVWMIAUSDDPU-LBPRGKRZSA-N 275.396 3.806 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H](c2ccccc2C)C1 931425932 PQXDVUYQUBXQKU-HOTGVXAUSA-N 271.404 3.913 30 20 CHED CCC[C@H](Nc1cccc(CC#N)n1)C1CCCC1 1118003845 IOTCYVUDVFJCLC-HNNXBMFYSA-N 257.381 3.918 30 20 CHED Cc1cc(C(=O)N(c2cccc(C#N)c2)C2CCC2)co1 1119486930 CIABPPRQKSPRFS-UHFFFAOYSA-N 280.327 3.659 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc3c2CCC3)c1 1129686714 ZLAYUHQVDASTEG-UHFFFAOYSA-N 276.339 3.608 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc3ccoc23)C1 1236738597 QIGCXMZXGYQWGS-ZDUSSCGKSA-N 254.333 3.558 30 20 CHED CC(C)[C@H]1CCCN(C(=O)Nc2sccc2C#N)C1 1262307696 RUVOLEBBVMMQMN-LBPRGKRZSA-N 277.393 3.520 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc2c1CCCC2 1265977626 HKUMDWKHXBHQOS-UHFFFAOYSA-N 290.366 3.998 30 20 CHED CC(=NOC(C)(C)C)c1ccc(OC(F)F)cc1 1319685732 ZPXWJWRQQLDZFS-UHFFFAOYSA-N 257.280 3.827 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc3c(c2)CCC3)cc1O 1323948251 HPMGLDMJKXFNOF-RMKNXTFCSA-N 294.350 3.786 30 20 CHED C[C@@H](CCC#N)CN1CCO[C@@H](c2ccc(Cl)s2)C1 1331692984 UTWVYRIAGJLXQD-NWDGAFQWSA-N 298.839 3.715 30 20 CHED N#CCc1cccc(N[C@@H]2CCCc3ccccc32)n1 1336726473 VELGIJFMHXLSRM-MRXNPFEDSA-N 263.344 3.637 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccnc(SCC)c1 1337681472 XURZFFQJSUOXPC-AWEZNQCLSA-N 290.432 3.764 30 20 CHED C=CC(C)(C)CCOC(=O)CSCc1csc(C)n1 1345048302 AMAWYUWWNAXIIA-UHFFFAOYSA-N 299.461 3.830 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(SC)oc1C 1347522835 SMADTJHPLYOGDD-GFCCVEGCSA-N 279.405 3.881 30 20 CHED CCc1cccc(CC)c1NC(=O)c1csc(C#N)c1 1348086697 JHFLWKAVZYINON-UHFFFAOYSA-N 284.384 3.997 30 20 CHED CC(C)CC(CC(C)C)NC(=O)c1cc(C#N)ccc1F 1352939921 FEZWOHWQUJUNSN-UHFFFAOYSA-N 290.382 3.888 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@@H](C)CCC[C@@H]1C 1360392826 VPMARWLBDNKIHG-JSGCOSHPSA-N 270.376 3.517 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC1(c2ccccc2C)CC1 1437028393 JEMZXLOVQXFFIC-UHFFFAOYSA-N 290.366 3.594 30 20 CHED Cc1sccc1NC(=O)N(C)Cc1cccc(C#N)c1 1467136790 OUAUMBLRIJJXPE-UHFFFAOYSA-N 285.372 3.592 30 20 CHED N#C[C@@H](C(=O)C1C[C@H]2CCC[C@H](C1)C2)c1cccc(F)n1 1524733693 HVUZHYXGAOQOQL-SGMGOOAPSA-N 286.350 3.613 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2ccsc2C#N)cc1 1533365819 ZKBRTHIRJSYUIX-NSHDSACASA-N 271.341 3.846 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(C#N)c(F)cc1F 1535439846 ZNPJEDUADGTSFH-QWRGUYRKSA-N 292.329 3.991 30 20 CHED CCC(C)(C)c1ccc(Nc2cc(C#N)ncn2)cc1 1559183340 QHXRGCMIGSWOHG-UHFFFAOYSA-N 266.348 3.779 30 20 CHED N#Cc1cccc(OC2CCN(CCCC3CCC3)CC2)c1 1559529920 DYSSYUDPERQQJL-UHFFFAOYSA-N 298.430 3.982 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc3ncsc3c2)c1 1584926153 SSSGJRMUFAWMDD-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCc1occc1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1587821351 PURSNIOEFSMAGY-UHFFFAOYSA-N 288.734 3.644 30 20 CHED CC(CC(C)(C)CC(=O)O)=NNc1ccc(C)cc1 1592444232 LYQBLLZJZFENFA-UHFFFAOYSA-N 262.353 3.674 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc(C)c(C(=O)O)c2)c1 1602742497 WFAAPJYZDLKKIG-UHFFFAOYSA-N 293.366 3.701 30 20 CHED C=CCC1(CNCc2ccc(C(=O)O)cc2F)CCCC1 1602851676 SYXNDUXZQHALRV-UHFFFAOYSA-N 291.366 3.750 30 20 CHED CC(C)C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)O 1603782307 TVZOTBVVBYPTNR-GFCCVEGCSA-N 283.780 3.803 30 20 CHED CCCCCCCC[C@@H](C)C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1 1605267193 RTWNOUAXKIMNKJ-KFWWJZLASA-N 297.439 3.695 30 20 CHED CSc1ccccc1C(=O)/C=C/c1ccc(C(=O)O)o1 1610387537 URXBOEUNKVRPIZ-SOFGYWHQSA-N 288.324 3.596 30 20 CHED CCCC[C@H](CC)CN1CCN(c2ccccc2C#N)CC1 1615378984 LDFFCCWOBIRFAT-KRWDZBQOSA-N 299.462 3.897 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Nc2ccc(C#N)cc2)c1 1622711906 JLLGGGJOZXLKDF-UHFFFAOYSA-N 279.343 3.843 30 20 CHED C[C@H](NC(=O)Nc1cc(C#N)ccc1F)c1ccsc1 1625455540 WYNQUSDOIZUWDB-VIFPVBQESA-N 289.335 3.642 30 20 CHED CC(C)CCc1ccc(Nc2ncncc2C#N)cc1 1642169525 RASCCNIYWCFNAY-UHFFFAOYSA-N 266.348 3.680 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1ncc(C#N)cc1F)CCC2 1642468459 JQSMDMDRZJGXDG-INIZCTEOSA-N 297.333 3.590 30 20 CHED CC(C)CN(Cc1cc(C#N)ccn1)c1ccccc1 1645569858 DSWDOVLPZLQTJT-UHFFFAOYSA-N 265.360 3.616 30 20 CHED C[C@@H](CN1CCCc2cc(C#N)ccc21)C(C)(C)C 1645900898 NIBBIBWVAGUELY-ZDUSSCGKSA-N 256.393 3.993 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)cc1C)C[C@@H](C)O2 1653536460 OIUFCUGAPZIJGQ-OAHLLOKOSA-N 292.382 3.963 30 20 CHED CCc1ccc2c(c1)[C@H](N[C@@H](C)CC(C)(C)C#N)CCO2 1658757274 NMXYLNYYYVILRN-XJKSGUPXSA-N 286.419 3.991 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C#N)c(F)cc1F 1680083736 UFHFNPWSPOZZMH-ZANVPECISA-N 293.317 3.537 30 20 CHED CC(C)(C=NNc1ccccc1C(=O)O)Oc1ccccc1 1776030763 NEKIHTPEINYKQS-UHFFFAOYSA-N 298.342 3.640 30 20 CHED CC(Cc1cccc(C)c1)=NNc1cccc(C(=O)O)c1 1776037702 WLYSRSORCJUDGP-UHFFFAOYSA-N 282.343 3.724 30 20 CHED O=C(/C=C\c1cccc(C(=O)O)c1F)c1ccc(F)cc1 1776131698 ZJKGYSUUPTTWTK-TWGQIWQCSA-N 288.249 3.559 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@@H]2CCC=CCCC2)C1 1776153560 KSGPDZOKYXJFDG-SJLPKXTDSA-N 291.435 3.866 30 20 CHED CCc1ccc(/C=C2/CCc3occ(C(=O)O)c3C2=O)cc1 1776968881 GRWKLOYOXJSUIV-LCYFTJDESA-N 296.322 3.753 30 20 CHED CC(C)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1 3547650 ULQZUNZDBGIDKY-UHFFFAOYSA-N 265.312 3.901 30 20 CHED N#Cc1ccccc1CSCCOc1ccccc1 58031188 LUJRKEIITMEVNU-UHFFFAOYSA-N 269.369 3.870 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccc(OC)cc2)c1 9823817 JCBPNNHDHJOOII-UHFFFAOYSA-N 297.354 3.902 30 20 CHED C=CCN(CCc1ccccc1)Cc1noc2c1CCCC2 108857204 KAJDYDLFNUKMAB-UHFFFAOYSA-N 296.414 3.784 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1 56515773 MURQGAJIVLWMSY-INIZCTEOSA-N 295.317 3.506 30 20 CHED CC[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 51637600 RHLQXEKFCRVDAN-OAHLLOKOSA-N 282.318 3.830 30 20 CHED N#Cc1ccccc1COc1cccc(Cl)c1[N+](=O)[O-] 814773261 FDOKVCZSEHPMFS-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Br)cc1C 466534240 NZBOWUURZGMMBE-LBPRGKRZSA-N 296.208 3.842 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1ccc(C#N)c(C)n1 178015781 JYAKUGYOIFIRMP-UHFFFAOYSA-N 287.407 3.549 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 116849623 PHLJBIPOGRBRJB-LLVKDONJSA-N 297.320 3.818 30 20 CHED C=CCCCN1CCC[C@H]1c1ccc(OC)c(OC)c1 117884018 UFSGJRGIHQHWDA-HNNXBMFYSA-N 275.392 3.807 30 20 CHED CN(c1snc(Cl)c1C#N)[C@@H]1CCc2ccccc21 301520160 LBAFEVGOLASTME-GFCCVEGCSA-N 289.791 3.792 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCc3ccco3)c2c1 301349799 MBHQHSXBIHVKFF-UHFFFAOYSA-N 277.327 3.928 30 20 CHED N#Cc1ccnc(SCCCc2ccccc2)c1[N+](=O)[O-] 301693168 ZJVFVNWKCVXSNY-UHFFFAOYSA-N 299.355 3.586 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2nc(S)oc2c1 179770701 PTADSSWRWLBAJD-JTQLQIEISA-N 290.388 3.591 30 20 CHED CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 176017303 VBKYYNYEURIHGF-OAHLLOKOSA-N 294.354 3.749 30 20 CHED CCO[C@@H]1C[C@H](NCC(C)(C)CCC#N)C12CCCC2 174654516 VULMWXPCTZTVGD-LSDHHAIUSA-N 278.440 3.644 30 20 CHED Cc1ccsc1[C@H](Cc1ccccc1)N[C@H](C)C#N 122764059 CIQBACXGVBNPPF-HIFRSBDPSA-N 270.401 3.842 30 20 CHED C=CCSCCNC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 175401183 AJYBKAWJRRGAIF-STQMWFEESA-N 284.469 3.514 30 20 CHED C=CCC[C@H](NCCc1cnn(-c2ccccc2)c1)C1CC1 120050400 ABKMBGKJIAUDJN-IBGZPJMESA-N 295.430 3.749 30 20 CHED N#Cc1ccc(Nc2ccc3scnc3c2)c([N+](=O)[O-])c1 302751044 VHXWUXBSMHNEAV-UHFFFAOYSA-N 296.311 3.820 30 20 CHED C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 67799913 BIAXKEPUNJKHTH-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C=C(C)CNC(=S)Nc1ccc(O[C@@H](C)CC)cc1 63675631 UEYIZZFVVNHUCG-LBPRGKRZSA-N 278.421 3.726 30 20 CHED CC(C)(C#N)CCCOc1ccc(C(C)(C)O)cc1 305820743 LEGQZSJGRCJGDE-UHFFFAOYSA-N 261.365 3.623 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCCC(F)(F)C1 409949849 KODCDJFXEVEFAR-ZDUSSCGKSA-N 297.345 3.662 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 128554806 JRSCYVVSQKDKMN-OALUTQOASA-N 299.389 3.832 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 182683583 XMQLIJRGBCCNOW-MRXNPFEDSA-N 285.435 3.871 30 20 CHED C#CC[C@H](OC(=O)c1coc2ccccc12)c1ccccn1 73293662 LUGRCINMDBQJDN-KRWDZBQOSA-N 291.306 3.749 30 20 CHED C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)[C@H](C)C#N)C1 410884998 UUBDHFCHPPKSST-OAGGEKHMSA-N 294.439 3.513 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cn1 76844410 PMJCSZWOHWBAPF-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC[C@@H]1[C@H](C)CCN1Cc1cccc(OCCCC#N)c1 187579541 IQVATVMLNIIFRD-CRAIPNDOSA-N 286.419 3.990 30 20 CHED CC(C)(C#N)NC(=O)Cc1coc2ccc3ccccc3c12 79999917 UISMGROBARPFBM-UHFFFAOYSA-N 292.338 3.547 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1C[C@H]2CCCC[C@H]2C1 187692016 MTUAIXAXUGLLHR-RRQGHBQHSA-N 254.377 3.741 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cc(F)ccc1F 182578186 ZMLCWZDCBZCBQE-NSHDSACASA-N 288.297 3.868 30 20 CHED N#Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c[nH]1 181229026 JXNHFOAFEYUHRC-KRWDZBQOSA-N 293.370 3.548 30 20 CHED CCCCCCCC(=O)NCc1cccc(CN(C)C)c1 123434647 JLUHHXMIMGXAGN-UHFFFAOYSA-N 290.451 3.725 30 20 CHED CC(C)(C)c1ccncc1CNCc1ccc(C#N)cc1F 414498286 MSFQJCDUHSPWSM-UHFFFAOYSA-N 297.377 3.680 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 128690383 NSPSVNYRMCUMOE-KGLIPLIRSA-N 298.292 3.579 30 20 CHED C=CCN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 185814669 BKYSBLJYRNLOEJ-WDEREUQCSA-N 257.299 3.973 30 20 CHED C#Cc1cccc(NCc2cc(Cl)c3c(c2)OCCO3)c1 37302650 MNLSTAKYGQCWMT-UHFFFAOYSA-N 299.757 3.705 30 20 CHED CCCN(CC#N)CCCc1ccc(Cl)cc1 77268822 XGNRXHJYVHDZIB-UHFFFAOYSA-N 250.773 3.508 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccccc2Br)C1 185803603 HVFJDDDJMFYLSK-DGCLKSJQSA-N 293.208 3.621 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1ccc(F)c(C#N)c1 136240695 VBPNBLXZVKNBEB-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)c(Cl)cc1OC 181505687 LZKFYMRTIYDTMP-UHFFFAOYSA-N 282.771 3.697 30 20 CHED N#CCC[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 130567316 UTQVDCCITCIACU-GOSISDBHSA-N 292.382 3.756 30 20 CHED C=CCOc1ccc(CNCc2ccc(F)c(F)c2)cc1 49577379 GMMULSABDOHTKT-UHFFFAOYSA-N 289.325 3.819 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)c1cccc(C)c1 500929477 JSDOKZZWMZPPBY-UHFFFAOYSA-N 292.382 3.852 30 20 CHED COc1nnccc1N=C(O)C[C@@H]1C[C@H](C)CC(C)(C)C1 329580393 LAZGOSRXIXAESW-RYUDHWBXSA-N 291.395 3.926 30 20 CHED CC[C@](C)(/N=C(/O)[C@@H]1CCC(=O)[C@@H](C)C1)c1nccs1 328924408 VLNSTEQALYWPHF-RWSFTLGLSA-N 294.420 3.730 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1scnc1C(F)(F)F 410669483 BYVXVTGXRLHJRY-MRVPVSSYSA-N 292.326 3.637 30 20 CHED CC1(C)CCC[C@@H]1/N=C(/O)c1cc2nc[nH]c2cc1F 329396102 UGYIMEWRWJDDHD-ZDUSSCGKSA-N 275.327 3.585 30 20 CHED O=C1CC[C@H](/C(O)=N/[C@H]2CC23CCCCC3)n2cccc21 329917067 ZERSIZXYXPUJEQ-HIFRSBDPSA-N 286.375 3.685 30 20 CHED Cc1cc(C)c2c(c1)CCCN2C(=O)c1cccc(C#N)c1 80953423 XILAQKSSHZPRGM-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C#CCCCC(=O)Nc1ccc(OC(C)(C)C)cc1 192136954 SOMQJIMWXDFMBT-UHFFFAOYSA-N 259.349 3.606 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1C[C@@]1(C)CC 134286504 MHTXFMCCJRIYMF-GDBMZVCRSA-N 264.413 3.601 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(Cl)c(F)c1 511021590 DVWVVCZXFZUEQV-NSHDSACASA-N 298.789 3.704 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 510860829 UNNILUAHCWTUAD-AWEZNQCLSA-N 278.783 3.666 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC(C)(C)CC(C)C 510228241 CMNCKVCKRVEORQ-UHFFFAOYSA-N 272.392 3.669 30 20 CHED CCCOc1cc(CNc2cccc(C#N)c2)ccc1OC 132882873 NBDMDCQJALHTAS-UHFFFAOYSA-N 296.370 3.968 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N(C)C1CCCC1 510024870 XBXTUIVADWKIOK-UHFFFAOYSA-N 290.382 3.808 30 20 CHED Cc1sc(N=C(O)C[C@@H]2CCCC(O)=N2)c(C#N)c1C 329480054 VITQIOVANQDYAA-JTQLQIEISA-N 291.376 3.724 30 20 CHED C[C@@H](N[C@H](CCCN)c1ccccc1)c1cccc(C#N)c1 423499420 AWTPFUXXTIUFLF-DNVCBOLYSA-N 293.414 3.689 30 20 CHED Cc1cc(N2CCC(c3ccsc3)CC2)c(C#N)cn1 425236827 GGBNRBCCMVHZEZ-UHFFFAOYSA-N 283.400 3.707 30 20 CHED C=CCN(C(=O)Cc1ccc(F)cc1F)c1ccccc1 87086891 SUPRLOQYZLFOKA-UHFFFAOYSA-N 287.309 3.727 30 20 CHED CC(C)O[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 427987410 ARLCZMSVDBKXCG-KRWDZBQOSA-N 294.354 3.663 30 20 CHED CC1(N/C(O)=N/[C@H]2CCOC3(CCCCC3)C2)CCCC1 330214822 GMTQVBMJCMBOJO-AWEZNQCLSA-N 294.439 3.705 30 20 CHED CC(C)C1CCN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC1 331273653 HNIIYDSPVBIXMF-MRXNPFEDSA-N 285.391 3.503 30 20 CHED CCN(CCC#N)Cc1c(Cl)ccc2cccnc12 81039466 VFDPTDNHWNFXHI-UHFFFAOYSA-N 273.767 3.624 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCC2 424126574 OZLWVWVRZRNOEJ-GDZNZVCISA-N 254.377 3.518 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCC1CC(F)(F)C1 421189580 NYHDULCYQIPTMO-UHFFFAOYSA-N 271.694 3.944 30 20 CHED CCCc1nc(/C(O)=N/[C@@H]2CCC[C@@H](C)C2)co1 330410764 LBANGHMYRIFXBI-GHMZBOCLSA-N 250.342 3.510 30 20 CHED N#Cc1cccc(NC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)c1 337631278 YFFRGKSSZJZVCT-QEJZJMRPSA-N 283.375 3.506 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(CC)cc1 424548665 UULLQTCWMXPRNV-UHFFFAOYSA-N 259.393 3.810 30 20 CHED C=CCCCCNc1ccccc1O[C@@H]1CCOC1 516849004 NLJORWXFPFFJOK-CQSZACIVSA-N 261.365 3.623 30 20 CHED CCCc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 424330004 PYKFIFZJAMMVHB-JLJPHGGASA-N 256.393 3.982 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425133768 TWJNVWTXXPRXND-MELADBBJSA-N 272.392 3.760 30 20 CHED CCCN(CC#N)Cc1cn(-c2ccccc2)nc1C(C)C 92397937 ZIWWMZTVINOLHO-UHFFFAOYSA-N 296.418 3.731 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1 331087571 DVBPWWNZHBKVQC-ZFWWWQNUSA-N 288.416 3.609 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1coc2ccccc12 92208973 LNQFRHWZKLIRIY-CMDGGOBGSA-N 280.327 3.625 30 20 CHED C=CCC1(C(=O)N2CCC3(CCOCC3)CC2)CCCC1 336260637 HSQIKVYMUWDXMQ-UHFFFAOYSA-N 291.435 3.542 30 20 CHED C=C1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 513496891 MUIZNSVUSLLTFB-UHFFFAOYSA-N 273.273 3.997 30 20 CHED CCCCCNC(=O)c1cn(CCCC#N)c2ccccc12 436464131 NHASDMJUPTZYBO-UHFFFAOYSA-N 297.402 3.865 30 20 CHED CO[C@@]1(C)CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 230264491 TXMCFFZKUJJXJZ-AWEZNQCLSA-N 298.308 3.582 30 20 CHED COCC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(C)(C)C 511002286 VDYBLMFAAICBTH-BLLLJJGKSA-N 292.398 3.799 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H]1CC 438142717 NVGZJJQEKINNQL-HZPDHXFCSA-N 272.392 3.573 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)C[C@@H](C)CC 436300551 JPIFUIKVUPPYRM-JJXSEGSLSA-N 253.430 3.772 30 20 CHED C=C(C)CCc1noc(-c2cnc([C@@H](C)OCC)s2)n1 349778259 PNULJIRSFSUSEO-SNVBAGLBSA-N 293.392 3.799 30 20 CHED CCN(Cc1cccc(F)c1)Cc1cccc(C#N)c1F 340745738 QXPFBFPDUJAPKV-UHFFFAOYSA-N 286.325 3.859 30 20 CHED CCc1nc2cc(NC(=O)c3ccc(C#N)cc3)ccc2o1 341925109 LZWUWKBSHKCVHG-UHFFFAOYSA-N 291.310 3.514 30 20 CHED N#Cc1ccncc1N[C@@H]1C[C@H]1c1cccc(Cl)c1 435570779 YTLAFGCIHASODL-UONOGXRCSA-N 269.735 3.575 30 20 CHED N#Cc1cccc(NC[C@@H](c2ccccc2)C2CC2)n1 431479176 UPOJWXOXKSPFQW-INIZCTEOSA-N 263.344 3.559 30 20 CHED C=CC[C@H](CO)N[C@@H]1CCC[C@H](c2ccccc2)CC1 527690412 FUSANPNVINJYNM-RCCFBDPRSA-N 273.420 3.630 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCOc2c(Cl)cccc21 602530728 RZARAGXHWRHRHJ-SMDDNHRTSA-N 278.783 3.693 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)CC(C)(C)c1ccccc1 540604972 BFJSBYIHXCMSKI-HOTGVXAUSA-N 275.436 3.517 30 20 CHED CC(C)OC(=O)c1ccc(COc2ccc(C#N)cc2)cc1 439831191 UXYAKVIRZUBCIX-UHFFFAOYSA-N 295.338 3.702 30 20 CHED COc1ccccc1CC(C)=NNc1ccc([N+](=O)[O-])cc1 254732903 MHZZJHCLZWLWJY-UHFFFAOYSA-N 299.330 3.634 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCCOc2ccccc21 348240476 CVOCFXICEOBJEM-HNNXBMFYSA-N 272.392 3.820 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(C#N)c1)CCC2 344687698 AFBNVIZRZDLUOA-GOSISDBHSA-N 290.366 3.674 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CCC[C@H]1C1CC1 602692606 BMVSRXXTMVRHMD-OIISXLGYSA-N 290.451 3.501 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@H]2CCCCO2)CCCC1(C)C 347448448 RFQDFMUDBJIVHU-CABCVRRESA-N 279.424 3.539 30 20 CHED C=CCN(Cc1cc(OC)c(O)c(OC)c1)c1ccccc1 340573875 HNWJSXXYFOWBBW-UHFFFAOYSA-N 299.370 3.602 30 20 CHED CC(C)(C)OCc1ccc(NCc2cccc(C#N)n2)cc1 602492041 KQLFVVTUXRXXLU-UHFFFAOYSA-N 295.386 3.880 30 20 CHED CC(C)c1cnc(S[C@@H](C#N)c2ccccc2)[nH]1 600582872 BQWVMRLFGBFLED-ZDUSSCGKSA-N 257.362 3.890 30 20 CHED C[C@H](C#N)CN(C)CC1CCC(C(C)(C)C)CC1 525119585 QRBNRXADKKLKRF-WLYUNCDWSA-N 250.430 3.930 30 20 CHED CC(C)(C)c1ccc(CNC(=O)c2sccc2C#N)cc1 522111600 BGTUWXGVVVLZGQ-UHFFFAOYSA-N 298.411 3.847 30 20 CHED CCO[C@@H]1C[C@H](N(C)CCCCC(C)(C)C#N)C12CCC2 444641231 DKDFNDZGHCRMSG-JKSUJKDBSA-N 292.467 3.986 30 20 CHED C=CC(C)(C)CNCc1c[nH]nc1-c1c(F)cccc1F 449485063 KQIRYGSRMQPTMB-UHFFFAOYSA-N 291.345 3.657 30 20 CHED Cc1cc(CNCCCCCN2CCCCC2)ccc1C#N 444004398 XNTNTGAZFUYRBL-UHFFFAOYSA-N 299.462 3.613 30 20 CHED CC[C@H](CC#N)N[C@H](C)CCc1c[nH]c2ccccc12 602609261 AOPWMYVMYHRXJF-UKRRQHHQSA-N 269.392 3.771 30 20 CHED CCCC[C@H](CC)CNC(=O)[C@@]1(C#N)CC12CCCC2 448652681 YYVVPPGJMSUAQJ-YOEHRIQHSA-N 276.424 3.793 30 20 CHED N#C[C@@H](Nc1cccc2c1OCC2)C1CCCCC1 600887700 RSDZWAOPCMSUJS-OAHLLOKOSA-N 256.349 3.506 30 20 CHED CCc1cccc(Cl)c1CN[C@H](CC)CC#N 354924233 DFPUJTGWULLZBK-GFCCVEGCSA-N 250.773 3.684 30 20 CHED CCCCc1ccc(C(=O)/C=C\c2csnn2)cc1 255301994 NKPZKWQBBOUFBK-KTKRTIGZSA-N 272.373 3.777 30 20 CHED N#Cc1c(Cl)cccc1NCc1cn2ccsc2n1 354660526 SLLPCWCXTCGZNV-UHFFFAOYSA-N 288.763 3.533 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(CCCCC#N)[C@H]2C 359536965 LFXSRIZIKXUHJR-KBPBESRZSA-N 272.392 3.697 30 20 CHED CCC(CC)c1cc(C(=O)N(C)c2ccccc2C#N)on1 359214048 PJNCIWUFPKGAEL-UHFFFAOYSA-N 297.358 3.726 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(CC)c1O 531434789 ISQVRQDPSWPQQJ-UHFFFAOYSA-N 275.392 3.773 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc3cc[nH]c3n2)CCCC1(C)C 444640474 DBJWCSRMCYPUJY-OAHLLOKOSA-N 297.402 3.770 30 20 CHED N#Cc1cccc(CN2CCS[C@H](c3ccccc3)C2)c1 609800980 ZEOCIMHYOSOKAF-SFHVURJKSA-N 294.423 3.848 30 20 CHED C[C@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H]1c1ccccc1 267191015 HGNIONJEAYEWNZ-ZBEGNZNMSA-N 283.762 3.804 30 20 CHED N#CC[C@H](CC(=O)Nc1ccc(F)cc1O)c1ccccc1 356568874 VHYVLFXXHIGATN-CYBMUJFWSA-N 298.317 3.557 30 20 CHED C=CCCCC[C@H](C)NCCCN1CCCCCC1=O 449064690 WAJHZSPBGWERBG-INIZCTEOSA-N 280.456 3.504 30 20 CHED COC1(CNCC(C)(C)CCC#N)CCC(C)CC1 355410883 IBDIYYLHQNOALW-UHFFFAOYSA-N 266.429 3.501 30 20 CHED CCC(CC)Nc1c(C#N)cnc2c(F)cc(F)cc12 352303356 MUPFFLVLCQZCRJ-UHFFFAOYSA-N 275.302 3.985 30 20 CHED CCC[C@H](NCc1cc(C#N)cs1)C(C)(C)C 449469169 LXGKGIVGFGLHEL-ZDUSSCGKSA-N 250.411 3.924 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)NCC(C)(C)C#N)c1 611620729 PBZDROXPJMMZSG-LBPRGKRZSA-N 289.379 3.535 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)[C@@H](C)c1ccccc1)OCC 535966388 YGBDGGQJKHBFEA-INMHGKMJSA-N 289.419 3.666 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(F)cc1 353419235 BOOKDJZPOWSRME-UHFFFAOYSA-N 262.372 3.978 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 269178461 ZBVUWFLSHFMGFI-NSHDSACASA-N 291.782 3.866 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 536794087 AFNKDDAOAVGPMG-SJLPKXTDSA-N 298.430 3.758 30 20 CHED Cc1c([C@H](C)NCc2ccnc(C#N)c2)oc2ccccc12 612503482 DOOMYAVIBFCLMM-ZDUSSCGKSA-N 291.354 3.859 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2ccncc2CC)CC1 356687527 YHXVEMXVJIYCIC-CYBMUJFWSA-N 272.392 3.568 30 20 CHED C[C@@H](NC(=O)[C@H](C)C1CCCC1)c1ccc(C#N)cc1 610519844 WXJUCNDTRQSKHH-CHWSQXEVSA-N 270.376 3.562 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1ccc(F)c(C#N)c1 445890551 OIFFPJDQHASJJN-ZDUSSCGKSA-N 288.288 3.764 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)NCC1(C#N)CCC1 450692183 KHBCTWQHAJMALZ-INIZCTEOSA-N 274.383 3.676 30 20 CHED CN(C(=O)c1ccc(C2CCCC2)cc1)C1(C#N)CCC1 362041106 XTFHZLXYXQNAPJ-UHFFFAOYSA-N 282.387 3.862 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1ccc(C)s1 455518443 GVVRUPPGIOCBBS-CYBMUJFWSA-N 278.421 3.869 30 20 CHED Cc1c(C(=O)N2CCC[C@@](C)(C#N)C2)oc2c(C)cccc12 612250089 DVFZPONGUBSNSG-SFHVURJKSA-N 296.370 3.816 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c2c(cc3c1CCC3)CCC2 362364330 UCALXAPMUKHNKV-CYBMUJFWSA-N 299.414 3.584 30 20 CHED C=CCC(CC=C)c1nc(-c2ncc(C)s2)no1 453267582 ICQHSRCDIKSIRM-UHFFFAOYSA-N 261.350 3.737 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@@H]1c1ccccc1 455364600 JKRLPFRTVALOKF-OAHLLOKOSA-N 272.392 3.745 30 20 CHED CSCCCCCNC(=O)Nc1cc(C)cc(C#N)c1 455961378 YZWHJKFQAPMHLF-UHFFFAOYSA-N 291.420 3.522 30 20 CHED CCC[C@H](CN1CC[C@](F)(C#N)C1)c1ccccc1 615651804 VULKYMJXTGHBPM-CVEARBPZSA-N 260.356 3.508 30 20 CHED C=C(C)CCNC(=O)NCc1oc2ccc(F)cc2c1C 454386713 SPYTZSIFWJMIGE-UHFFFAOYSA-N 290.338 3.646 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2nc(C(C)C)oc2C)C1 617778310 CSYBVVIHYCYOLG-ZDUSSCGKSA-N 276.380 3.535 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](CC)c1ccccc1OC 455311000 FCBHNLYAVGPBCS-OAHLLOKOSA-N 290.407 3.754 30 20 CHED N#Cc1cccc(CCNCc2ccc(C3CC3)cc2)c1 459548317 XRULITJTTDYOCL-UHFFFAOYSA-N 276.383 3.768 30 20 CHED Cc1cccc(C)c1[C@@H](C)NCCOc1ccc(C#N)cc1 546228230 IAWOMGWPSJDFAC-MRXNPFEDSA-N 294.398 3.905 30 20 CHED C=CCC1(C(=O)N2CC3(CCC3)[C@H]2C2CC2)CCCC1 452149532 HBDSOQZDUHROKG-OAHLLOKOSA-N 273.420 3.914 30 20 CHED CC(C)[C@H](NC(=O)NCCCC#N)c1ccc(Cl)cc1 273321033 KEZSNCOAKGEQPR-AWEZNQCLSA-N 293.798 3.640 30 20 CHED CC(C)[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)[C@@H]1C(C)C 455902175 FZCVQPUKKYAFSR-DLBZAZTESA-N 299.418 3.897 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)NCC(C)(C)CC#N)C1CC1 459262982 WKVFVQKBKCLEEA-STQMWFEESA-N 279.428 3.535 30 20 CHED CC(C)(c1noc(CCCC#N)n1)C1CCCCC1 361248116 ALLUVLLQVQBGKF-UHFFFAOYSA-N 261.369 3.774 30 20 CHED C=CCCOCC(=O)N(CCCC)Cc1ccccc1F 620185593 LDBGFMPXTJRPJM-UHFFFAOYSA-N 293.382 3.547 30 20 CHED CCC[C@H](C(=O)Nc1cc(C)cc(C#N)c1)c1ccccn1 456975328 ZDCNDEXZXCWEPC-INIZCTEOSA-N 293.370 3.784 30 20 CHED C[C@H](c1ccco1)N(C(=O)c1ccc(F)c(C#N)c1)C1CC1 278565700 HYMBAMONMOGRDE-LLVKDONJSA-N 298.317 3.656 30 20 CHED CC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCCO1 360650599 YWFYTCLRMLXBAB-FHWLQOOXSA-N 298.430 3.873 30 20 CHED C[C@@H](NCCc1cccs1)c1ccc(C#N)c(F)c1 271936371 NCISTOVWWNUSHS-LLVKDONJSA-N 274.364 3.652 30 20 CHED C=CCCc1noc(CCCOc2ccccc2Cl)n1 453228623 AKYJGXIAYJVABB-UHFFFAOYSA-N 292.766 3.853 30 20 CHED C=C(C)CCNC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 455330417 UQHULWKKDJKVNI-LLVKDONJSA-N 294.345 3.560 30 20 CHED C#CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 273474212 KHPHDLKQXOXBQW-KSSFIOAISA-N 295.382 3.816 30 20 CHED C=C1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 275838491 JPEYBANJDDQMTL-UHFFFAOYSA-N 288.347 3.510 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 465116460 ANGDCVHOFXNJIY-OLZOCXBDSA-N 283.371 3.643 30 20 CHED C=CCC(F)(F)c1nc(C2(c3cccc(F)c3)CC2)no1 624668898 QFYHVXBQPIQPBL-UHFFFAOYSA-N 294.276 3.957 30 20 CHED C[C@@H]1CCc2c(C(=O)N[C@@H](C#N)C(C)(C)C)csc2C1 464712954 RJAWCMVGMQDNHV-YGRLFVJLSA-N 290.432 3.541 30 20 CHED COCc1nc(C)cc(Oc2cc(C)c(C#N)c(C)c2C)n1 286596756 SGDHYOHKNLKEDK-UHFFFAOYSA-N 297.358 3.521 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1c(F)cccc1F 467741507 RQUPOHKRGPATIT-MEBBXXQBSA-N 267.319 3.744 30 20 CHED CC(C)(CCC#N)CN1CCC=C(c2ccco2)C1 289573482 SRJDGEAVIJLNOK-UHFFFAOYSA-N 258.365 3.699 30 20 CHED C=CCOc1ccccc1CNC(=O)c1cc[nH]c1C(C)C 286162608 WJYJYNSFVHYMOH-UHFFFAOYSA-N 298.386 3.633 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 468265343 DXOCTWLCJVPGDK-INIZCTEOSA-N 294.373 3.995 30 20 CHED C=CCN(C(=O)C[C@H]1CCC[C@@H](OC)C1)c1ccccc1 280605015 VMJHURGTBXMFTI-DOTOQJQBSA-N 287.403 3.801 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](Cc1ccccc1)C(C)C 466543661 VGFUAYAQTJMZGG-SJORKVTESA-N 273.420 3.972 30 20 CHED C=CCCN(C)C(=O)c1ccc(-c2csc(C)n2)cc1 281823348 LVCOBYWOGPGVKK-UHFFFAOYSA-N 286.400 3.767 30 20 CHED C=CCCc1ccccc1NC(=O)c1ncoc1C1CC1 556842498 KTXZDFVTQYOGGF-UHFFFAOYSA-N 282.343 3.923 30 20 CHED C[C@H](CCNCc1cccc(OCC#N)c1)c1ccccc1 387700305 JHGAEUXRBFJMMV-MRXNPFEDSA-N 294.398 3.872 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NN[C@@H]1CCSC1 808001371 KDENFRLKWHQRGI-JHJVBQTASA-N 254.443 3.530 30 20 CHED C[C@@H](C#N)OCCN[C@H](CC(C)(C)C)c1ccc(F)cc1 801937481 NWDWIJNFYIPEEV-XJKSGUPXSA-N 292.398 3.821 30 20 CHED C=CCOc1ccc(COC(=O)C(C)(C)C2CC2)cc1 805919305 AAZDGKHRRBXSHR-UHFFFAOYSA-N 274.360 3.731 30 20 CHED COc1ccc2cc(CN[C@H]3CC[C@@H](C#N)C3)ccc2c1 472138353 MARVUQYWWDKTEH-DYVFJYSZSA-N 280.371 3.630 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CC[C@@H](C)C1)c1ccccc1 474125509 VWYFQYHUFCBSIR-KBMXLJTQSA-N 257.377 3.651 30 20 CHED Cc1cc(C)cc(C(=O)N2CCCc3cc(C#N)ccc32)c1 297608837 AODKLIVVKFTERE-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C=CCCCCCCCCNC(=O)Nc1ccon1 806384764 XVXACXOTOIKKPW-UHFFFAOYSA-N 265.357 3.713 30 20 CHED C=CCN(CC=C)C(=O)NC[C@@H]1CCCCC(F)(F)C1 291893910 IIOPOUXALNDYNT-CYBMUJFWSA-N 286.366 3.586 30 20 CHED Cc1nsc(N2CCC[C@H](C(C)(C)C)C2)c1C#N 561339641 ZPDGBUSUMZLLEW-NSHDSACASA-N 263.410 3.586 30 20 CHED C=CCCCCCCCCNC(=O)N1CCC[C@H](OC)C1 806080130 AJGUVZSXCPWMOE-INIZCTEOSA-N 296.455 3.724 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H]1C[C@@]1(C)C(C)C 476389768 OSIYDBYPHHKWIA-QAPCUYQASA-N 287.403 3.550 30 20 CHED C=CCOCCCn1nccc1-c1ccc(F)c(Cl)c1 478799983 TZBROHKBRTTZPP-UHFFFAOYSA-N 294.757 3.935 30 20 CHED Cc1csc(NC(=O)NC2CCC(F)(F)CC2)c1C#N 566420911 SILRKZZWQGMHIL-UHFFFAOYSA-N 299.346 3.628 30 20 CHED C(=NN[C@H]1CCSC1)c1cccc(Oc2ccccc2)c1 808003456 YGCMAEQIKMIARE-HNNXBMFYSA-N 298.411 3.908 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(OC2CCCC2)cc1 806194840 LHEVYVGJVRNBCR-CYBMUJFWSA-N 286.375 3.541 30 20 CHED C=C[C@@H]1CCCCN1C(=O)COc1ccccc1C(C)C 562353003 FKXKYKLHRLMFSW-OAHLLOKOSA-N 287.403 3.756 30 20 CHED C=CCCC1(C(=O)N[C@@H]2COc3c2ccc(C)c3C)CC1 475589158 ZELNUDZWJYAGFM-OAHLLOKOSA-N 285.387 3.600 30 20 CHED C=CCCC(=O)OCc1cc(F)c(C(F)(F)F)cc1F 805438101 WDOFRORXHMEESN-UHFFFAOYSA-N 294.219 3.993 30 20 CHED CCCCCOc1ccc(C(=O)N[C@H](C#N)C(C)C)cc1 470156591 QBGJFFPSQXWRKA-MRXNPFEDSA-N 288.391 3.534 30 20 CHED C#C[C@H](NC(=O)Nc1cc(Cl)ccc1OC)C(C)(C)C 808481895 GLZZMDVZXUVCLS-ZDUSSCGKSA-N 294.782 3.518 30 20 CHED C=C(C)CSCC(=O)NC[C@H](c1ccccc1)C(C)C 565865057 HQFMDXMFCUBRLV-INIZCTEOSA-N 291.460 3.852 30 20 CHED CC1(C)CC[C@@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 805319318 SAXNRCKBIVVXHS-NSHDSACASA-N 297.185 3.783 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(OC(C)C)cc1 811672124 QQTRVWOCDCNCRU-GXMNLAJHSA-N 267.756 3.967 30 20 CHED Cc1cc(C(=O)N(C)CCC#N)sc1-c1ccccc1 563372887 AQISQXVAHIUEKL-UHFFFAOYSA-N 284.384 3.709 30 20 CHED O=[N+]([O-])c1ccccc1CC(=NOC/C=C\Cl)C1CC1 811669813 VHWGQEGLEDRCNU-JUHHGRFZSA-N 294.738 3.672 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C)CCC#N 563220110 ORHJAHGIXAWQNG-UONOGXRCSA-N 260.381 3.817 30 20 CHED CCOc1ccc(C=NNc2ccccc2F)cc1 812458823 MDYLRYICWCBPIO-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)c2cccc(CC#N)c2)[C@@H]1C 482681447 SMJKXYQOVXMHBN-CKEIUWERSA-N 284.403 3.555 30 20 CHED CCC(=NNC[C@H]1CCSC1)c1ccc(Cl)s1 811662325 ILCDUIVXMPRTSS-SECBINFHSA-N 288.869 3.858 30 20 CHED Cc1c(Cl)cnc(N2CC3(CCC3)[C@@H]2C(C)C)c1C#N 488483887 HPDQFYBPSQSLJG-AWEZNQCLSA-N 289.810 3.930 30 20 CHED C=CCn1cccc1C(=O)N1CCCC[C@@H]1c1ccco1 488967585 OUPYTLUIHYYUPI-CQSZACIVSA-N 284.359 3.635 30 20 CHED CC#CCCNC(=O)N[C@@H](C)c1ccc(SCC)cc1 482994783 ZUVXRDKQVWZRIZ-ZDUSSCGKSA-N 290.432 3.572 30 20 CHED CCc1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1CC 487634547 WDADOVRXMCPSTL-LBPRGKRZSA-N 273.380 3.577 30 20 CHED Clc1ccc(Cl)c(C=NNC[C@@H]2CCSC2)c1 811658176 CVPGCDCBJDPFAM-VIFPVBQESA-N 289.231 3.670 30 20 CHED N#Cc1cc(NC(=O)NCCCC2CCCC2)ccc1F 481652460 BNWGERLUPSGYMP-UHFFFAOYSA-N 289.354 3.789 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1CCCC[C@H]1CCCO 814917301 JSWKHGNEYLYCOI-HOCLYGCPSA-N 280.456 3.864 30 20 CHED CC(C)(CC(=O)[C@H](C#N)c1nc2ccccc2o1)C1CC1 815915001 ADWNFKGQPBNPRM-LBPRGKRZSA-N 282.343 3.830 30 20 CHED CC(=NOC/C=C/Cl)c1csc(Cl)c1 811670277 OBRCXTNYQJGWMS-ZVMGRCLESA-N 250.150 3.895 30 20 CHED C[C@H]1CCN(c2cccc(C(F)F)c2C#N)CC1(F)F 575762373 ROSVRUNJKOZLIN-VIFPVBQESA-N 286.272 3.977 30 20 CHED COCc1ccccc1/C=C(\C)C=NOCCOC(C)C 814228957 NPCVLDRBHNYNJI-KVZAMRGJSA-N 291.391 3.664 30 20 CHED C=CCC(F)(F)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 815133906 BEZSOCBQZFYRBJ-HNNXBMFYSA-N 291.341 3.876 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1c(F)cc(F)cc1F 815649075 GXRPPTOVKVTRHI-UWVGGRQHSA-N 257.299 3.794 30 20 CHED C=CCN(CCOC)Cc1ccc(-c2ccccc2F)o1 483425496 ZSRYUQVDJZSTOZ-UHFFFAOYSA-N 289.350 3.720 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(N)cc2C)cc1 814985189 WKVLLHPJMOWZAU-UHFFFAOYSA-N 283.375 3.812 30 20 CHED C=CCn1c(SCC2CC=CC2)nnc1-c1ccccn1 657253102 NXIDDLRNEPYHAD-UHFFFAOYSA-N 298.415 3.584 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)NCCCCC#N 728958154 UOAMJGLPSFDCHR-CABCVRRESA-N 293.455 3.832 30 20 CHED C=CCC(C)(C)CNC(=O)COc1ccc2ccccc2c1 489910859 YQCORTZWJRPBPK-UHFFFAOYSA-N 297.398 3.937 30 20 CHED C=C(C)CN(CC)C(=O)COc1ccccc1C(C)C 656232565 VPWIIIPRCATWET-UHFFFAOYSA-N 275.392 3.613 30 20 CHED COc1ccccc1CON=C1CCCC[C@H]1CCCO 814923948 RNDNCCGIAKAXLO-AWEZNQCLSA-N 291.391 3.531 30 20 CHED CC[C@H](OC(=O)c1ncc(C#N)cc1C)c1ccc(C)cc1 815925843 SNUITEXRBFAINT-INIZCTEOSA-N 294.354 3.878 30 20 CHED C[C@H](OC(=O)c1cnc(C2CC2)s1)c1cccc(C#N)c1 729904796 NRRWZJROPYBRFP-JTQLQIEISA-N 298.367 3.810 30 20 CHED C#CCCCCC(=O)Nc1ccc2c(c1)C(=O)CCCC2 817504067 RYQKSAPARAQFNS-UHFFFAOYSA-N 283.371 3.728 30 20 CHED N#CCCC[C@H](NC[C@H]1CCCC[C@H]1O)c1ccccc1 577955670 CLQGLKGFNBNZNA-FGTMMUONSA-N 286.419 3.562 30 20 CHED CCCCCCCCSc1nnc(NC(C)=O)s1 729642770 HPOIZKPQUDDREW-UHFFFAOYSA-N 287.454 3.949 30 20 CHED CC(CSC(C)(C)C)=NNc1ccc([N+](=O)[O-])cc1 729633085 VYYMKKBQQYAPPZ-UHFFFAOYSA-N 281.381 3.914 30 20 CHED CC(C)(C)Oc1ccc(NC[C@H]2CCSC2)cc1C#N 824721740 IOKKHCVGCIEBGI-GFCCVEGCSA-N 290.432 3.901 30 20 CHED CN(Cc1ccc(C#N)cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 573384424 ZUNBMWQIESUTMK-XBXGTLAGSA-N 297.324 3.506 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCc2ccccc2C1 578631928 FRSJWNANNKCTLX-INIZCTEOSA-N 271.404 3.510 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 726438048 KKWLIUNLIABWDA-DVOMOZLQSA-N 286.444 3.779 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 572184474 HXWBAIANITXBPN-WMLDXEAASA-N 276.424 3.791 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1cc2ccccc2s1 826753362 FCLLTGLLLZNSAA-LBPRGKRZSA-N 271.385 3.738 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cccc([N+](=O)[O-])c1C 821444370 HKKZOHJDHJBGNN-UHFFFAOYSA-N 277.320 3.549 30 20 CHED C#C[C@H](OC(=O)c1coc2ccccc12)c1ccccc1 821611324 AOSYXYODOKBVLY-INIZCTEOSA-N 276.291 3.964 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(SC(F)F)cc1 726559429 HACUIAGDKCKTBJ-LLVKDONJSA-N 298.358 3.669 30 20 CHED Cc1ccc2ncc(C#N)c(OCCCOC(C)(C)C)c2c1 589854849 BKPAJNGZXCRFPO-UHFFFAOYSA-N 298.386 3.999 30 20 CHED O=C(c1ccc2c(c1)CCCC2)N(O)Cc1ccc(F)cc1 901378924 MJFZACKBGMPGSJ-UHFFFAOYSA-N 299.345 3.736 30 20 CHED C=CC[C@@H]1CCCN(CC(=O)Nc2cc(C)ccc2C)C1 661379046 RGQIZXBUWVEPIQ-MRXNPFEDSA-N 286.419 3.530 30 20 CHED C=C[C@@H](CC)Cc1nc(C(C)(C)c2ccncc2)no1 904149995 KOMDHEGDFSKQTJ-LBPRGKRZSA-N 271.364 3.545 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCCCC[C@@H]1c1ccco1 820641385 UKZVXZQZXAVSBI-HUUCEWRRSA-N 288.391 3.708 30 20 CHED C[C@]1(CNc2cccc(C(F)F)c2C#N)C[C@H]2CC[C@H]1O2 580784246 RPMWURIXWZLXMD-QSGSBWRWSA-N 292.329 3.865 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(C)s1 830048572 QDESIMJGHPRXFB-GFCCVEGCSA-N 283.462 3.962 30 20 CHED Cc1ccc(F)c(/C=C2/COc3c(F)cccc3C2=O)c1 734980915 KIOZDVCRTSSLFU-WQLSENKSSA-N 286.277 3.932 30 20 CHED Cn1nc(C(F)(F)F)cc1CSCCC(C)(C)C#N 901792110 UZGLYUZMNCAFSE-UHFFFAOYSA-N 291.342 3.612 30 20 CHED C=CC[C@@H](NC(=O)NCCC1=CCCCC1)c1ccncc1 734652584 NOIBKOHXGLNGHH-QGZVFWFLSA-N 299.418 3.889 30 20 CHED C#CC1CCN([C@H](C)c2ccc(OC(F)F)cc2)CC1 830321457 MKDUEOUQMUMURI-GFCCVEGCSA-N 279.330 3.694 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NN[C@@H](C)C(F)(F)F 834998498 UTTSLKOJYKVHAT-QMMMGPOBSA-N 298.230 3.888 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 834881638 CNMAPAFAJVVFFM-OAHLLOKOSA-N 299.418 3.557 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ncnc3sccc23)o1 732766233 VBHUWVHORDOZIG-JOYOIKCWSA-N 298.371 3.854 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2cccc(O)c2)CCCC1 664092745 BBELKWRCANRUKV-CYBMUJFWSA-N 288.391 3.641 30 20 CHED CC(C)SCC(=O)N(O)Cc1cccc2ccccc12 901371948 YMLYNLGSJHECOR-UHFFFAOYSA-N 289.400 3.699 30 20 CHED CC[C@H](OC(=O)CC(C)(C)C#N)c1ccnc(Cl)c1 838919910 JLADXENDONZBLA-NSHDSACASA-N 280.755 3.669 30 20 CHED CC(C)n1cc(C=NNc2nc3ccccc3s2)cn1 732709960 JEXLUFYHQFBGFG-UHFFFAOYSA-N 285.376 3.520 30 20 CHED COc1cc(/C=C2/Cc3ccc(C)cc3C2=O)cc(OC)c1 730948870 NUFKNNGZRIXZFM-CHHVJCJISA-N 294.350 3.835 30 20 CHED CC(C)(C)C#CC(=O)NCc1ccc(-c2ccco2)cc1F 837588574 QBWUAWDEDRPOPK-UHFFFAOYSA-N 299.345 3.751 30 20 CHED C#CCOc1ccccc1CNC[C@H]1CCc2ccccc21 732229956 RAAJROLRBXNFDY-QGZVFWFLSA-N 291.394 3.518 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(C(C)(C)C)ccc1OC 674975492 XXFAXDAFCFLLKK-NSHDSACASA-N 276.380 3.689 30 20 CHED COc1ccccc1C=NNc1cc(C)ccc1C 916345641 JUAVZTBCRKLIMY-UHFFFAOYSA-N 254.333 3.758 30 20 CHED CCC(=NNc1nc(C)cc(C)n1)c1ccc(C)cc1 916241036 CNTSUDGVEXYTAT-UHFFFAOYSA-N 268.364 3.628 30 20 CHED C=C(C)COC(=O)[C@@H](C)Sc1ccccc1Cl 917323479 YTPRZBSFWNAQBX-SNVBAGLBSA-N 270.781 3.940 30 20 CHED C=CCC[C@@H](NCCc1ccc2c[nH]nc2c1)c1ccco1 671764085 PJSGHNGDPSOUPC-MRXNPFEDSA-N 295.386 3.996 30 20 CHED N#CCCCCOC(=O)CCc1cccc(Cl)c1 914624048 CEGVYPBDBWJHFF-UHFFFAOYSA-N 265.740 3.510 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(OCC#N)c2)C1(C)C 915740892 QUTOCRDMKQPZLR-HZPDHXFCSA-N 298.386 3.766 30 20 CHED CC1(NCc2cccc(OCCCC#N)c2)CC=CC1 594509031 GWDHVNBMOIUEAU-UHFFFAOYSA-N 270.376 3.567 30 20 CHED CCCCCC[C@@H](C)C(=O)Nc1cc(C)nn1CCC#N 741912861 QSVNTHAUBKBLAJ-CYBMUJFWSA-N 290.411 3.650 30 20 CHED C(=NNc1ccccn1)c1ccc(-c2ccccc2)o1 917536328 PBDWXBNNGDCERM-UHFFFAOYSA-N 263.300 3.788 30 20 CHED COc1ccc(N[C@H](C)c2cccc(C#N)c2)c(F)c1 864021130 HOHJGVOHZRQQGE-LLVKDONJSA-N 270.307 3.879 30 20 CHED CC(C)[C@@H](O)Cc1ccccc1-c1ccc(C#N)cc1 593955445 ZXTBNYOLTOKCEL-SFHVURJKSA-N 265.356 3.785 30 20 CHED N#CCCCCOC(=O)c1ccc(Oc2ccccc2)nc1 919384026 JCNCRAIJKKBLPU-UHFFFAOYSA-N 296.326 3.725 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCSC1 742780777 DRWQAQJJIMLJPI-ZDUSSCGKSA-N 257.443 3.749 30 20 CHED C=C(C)CNC(=S)N(Cc1ccc(C)c(C)c1)C1CC1 740637526 LHTDTTTYPYAKIJ-UHFFFAOYSA-N 288.460 3.718 30 20 CHED CS[C@@H](C)C/N=C(/Nc1ccccc1)N1CCCCC1 849108213 KZSCMLCYPDCKCG-AWEZNQCLSA-N 291.464 3.692 30 20 CHED C#CCCCOC(=O)c1csc(C2CCCCC2)n1 840664750 HZLXBGKLFRAESD-UHFFFAOYSA-N 277.389 3.761 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1cccc(C(C)C)c1 590131548 DAKUHFSUFXBQPI-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C=C(CNC(=O)[C@H](C)c1cccc(F)c1)c1ccccc1 672481166 MRSGWGRPFYQIPM-CQSZACIVSA-N 283.346 3.759 30 20 CHED CCC[C@@H](CCc1ccccc1)Nc1c(C#N)cnn1C 596146850 RCPZGPZZYWGPAS-INIZCTEOSA-N 282.391 3.505 30 20 CHED CC/C(=C\C(=O)N(C)[C@@H](C#N)CC)c1cccc(Cl)c1 847167975 KIWFJOROBACXEU-HBIYDYFMSA-N 290.794 3.894 30 20 CHED CCCc1ccc(CN2CCC[C@@H](CC#N)C2)s1 598674197 NHWUMSUDPPNZHD-ZDUSSCGKSA-N 262.422 3.826 30 20 CHED C=C(C)CONC(=O)Nc1c(F)cccc1SCC 844668313 YBIHZELAAIVICA-UHFFFAOYSA-N 284.356 3.567 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)Cc2ccccc2C)c1 917556923 RNESCRIVBPGPSE-ONDHQXCVSA-N 283.371 3.759 30 20 CHED C#CCCOc1ccc(C(=O)N(C)CCC(C)(C)C)cc1 843683946 NWKQCHYURJXCLQ-UHFFFAOYSA-N 287.403 3.597 30 20 CHED N#CCC1(CSCc2cc(F)cc3c2OCOC3)CC1 596339447 IXXHRCSYSLUPEP-UHFFFAOYSA-N 293.363 3.619 30 20 CHED C=CC[C@@H](NC(=O)NC(CC)(CC)CC)c1ccncc1 745827018 FXJLTQCJMDTLNT-OAHLLOKOSA-N 289.423 3.967 30 20 CHED CCCON=Cc1cnc(-c2cccs2)s1 842557976 TXMYYFXPVZGENE-UHFFFAOYSA-N 252.364 3.632 30 20 CHED N#CCCCNC(=O)NCc1ccc(-c2cccs2)cc1 595578966 DGZLIEKOQZETLY-UHFFFAOYSA-N 299.399 3.518 30 20 CHED C#C[C@@H](OC(=O)[C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1 842408114 RTASLRHMTYNOEO-TZMCWYRMSA-N 296.288 3.869 30 20 CHED FC(F)(F)Oc1cccc(CON=C2CCC2)c1 844763618 BPAVGDXUHOALKK-UHFFFAOYSA-N 259.227 3.642 30 20 CHED N#CCCCc1nc(C2(c3ccc(F)cc3)CCC2)no1 598683223 LGVBUZCSKMZHOM-UHFFFAOYSA-N 285.322 3.525 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cncs1 743445045 BANFBTFUKALIML-UHFFFAOYSA-N 259.378 3.904 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCc1cccc(F)c1 599925068 INYFMNAPIQCIDO-CYBMUJFWSA-N 295.423 3.872 30 20 CHED N#CC[C@H]1CCCN(CCCc2ccccc2Cl)C1 595621673 XLYFPSFYWFYEOY-CQSZACIVSA-N 276.811 3.898 30 20 CHED CCC(=NNc1ccc(Cl)c(F)c1)[C@H]1CCOC1 747634952 DDCYSYIYWHXWCZ-VIFPVBQESA-N 270.735 3.694 30 20 CHED N#CCCCCNC(=O)N1CCC[C@@H](C2CCCCC2)C1 595487178 DIXAGEMGNFGQEL-MRXNPFEDSA-N 291.439 3.682 30 20 CHED CC(=Nn1cnc2ccccc21)c1ccc2ccccc2n1 749810343 RGHLACWQEQYUKX-UHFFFAOYSA-N 286.338 3.857 30 20 CHED C#C[C@@H](OC(=O)[C@H](F)C(C)C)c1ccc(Cl)cc1F 842354575 XWHJVRXTSSXBCJ-CHWSQXEVSA-N 286.705 3.691 30 20 CHED C=C(Cl)CNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 743620997 VDAHBIDHIMCIOO-IINYFYTJSA-N 296.773 3.671 30 20 CHED C=CC[C@@H](NC(=O)N(CC)C[C@@H](C)CC)c1ccncc1 748634831 PRJJNWVLLJODBE-GOEBONIOSA-N 289.423 3.776 30 20 CHED C=CCCOCC(=O)Nc1ccc(-c2ccccc2)cc1 920429433 NMFIZANBRJJEPQ-UHFFFAOYSA-N 281.355 3.885 30 20 CHED C#CC[C@H](NC(=O)N[C@H]1CCCC1(C)C)c1ccccc1 757032976 KHUXHJQYFQELIS-HOTGVXAUSA-N 284.403 3.629 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1cccc([N+](=O)[O-])c1 924798377 NKJIWRKNYKLNJJ-NWDGAFQWSA-N 275.352 3.574 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)C1CCCC1)c1ccccc1 757575269 BKQRODLWAMGGON-RHSMWYFYSA-N 269.388 3.694 30 20 CHED C[C@@H](OC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1cccc(C#N)c1 751177101 WSVMWPGBLVHGFO-FWYOQMDTSA-N 269.344 3.599 30 20 CHED C=C(C)[C@@H](CO)N1C[C@@H](c2ccccc2)c2ccccc21 683528212 YPOROLWUAAMQNP-PKOBYXMFSA-N 279.383 3.576 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 750895768 JEQIJZIDJXFJQI-SOFGYWHQSA-N 285.274 3.938 30 20 CHED C[C@@H]1CCCC[C@H]1CON=C1CCC2(CC1)OCCO2 853654147 PPLDDAVSCLOISZ-KGLIPLIRSA-N 281.396 3.502 30 20 CHED CCCCCCCCCCNC(=O)c1cnco1 759330631 FAKRFKROQKZZCI-UHFFFAOYSA-N 252.358 3.545 30 20 CHED COc1ccc(NN=C2CCc3c(F)ccc(F)c32)cc1 750945639 IDDXOAJMCSFCIA-UHFFFAOYSA-N 288.297 3.736 30 20 CHED C#CC[C@H](NCc1ccc(Cl)nc1)c1ccccc1 756998662 YKCBEWDPBOVAPN-HNNXBMFYSA-N 270.763 3.589 30 20 CHED COc1cccc(OC)c1/C=C1/CCc2ccccc2C1=O 753860019 WRYXSVPVEGSBQF-OWBHPGMISA-N 294.350 3.916 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cc(F)ccc1F 757473681 GBBLRGDJDXGKIF-DAFODLJHSA-N 295.266 3.831 30 20 CHED C=CCOCCCC(=O)Oc1ccc(CCC)cc1 752232962 GUMHSFJWGKFNPF-UHFFFAOYSA-N 262.349 3.527 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc2cccnc2s1 851204452 AABWTBAAEILPKF-JTQLQIEISA-N 288.372 3.781 30 20 CHED C=C[C@@H](OC(=O)c1cnc2n1[C@H](C)CCC2)c1ccccc1 851452583 UXLJFMWXUOPCPQ-CZUORRHYSA-N 296.370 3.865 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1 757953993 XMSILRNEMIUAJY-WOSRLPQWSA-N 286.444 3.779 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(F)c(F)c2)c1O 920387224 NDDJNEABTJERKK-GRSHGNNSSA-N 291.297 3.688 30 20 CHED CCc1ccc(C=NOCC(=O)Nc2ccc(C)cc2)cc1 853971799 KXKQWGKXIXMALZ-UHFFFAOYSA-N 296.370 3.547 30 20 CHED C#C[C@@](C)(CC)NCc1coc(-c2ccc(Cl)cc2)n1 852098314 JSOBAJRQQJGDJC-INIZCTEOSA-N 288.778 3.887 30 20 CHED C#CCCOC(=O)N[C@@H](CC(F)(F)F)c1ccccc1C 859135203 IWNMGENNNPDEPK-ZDUSSCGKSA-N 299.292 3.738 30 20 CHED C=CCC(=NO[C@H]1CCCCO1)c1ccc(F)cc1 755817426 KYRICULXEBSXRO-HNNXBMFYSA-N 263.312 3.649 30 20 CHED Cc1ccc(F)c(NN=Cc2cnn(C(C)(C)C)c2)c1 759654013 YNQPSABCVSPIEF-UHFFFAOYSA-N 274.343 3.532 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccccc2OC)c1 759209789 JHLQDAGPAYTHEU-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C[C@@H](OC(=O)c1ccc(C2CC2)cc1)C(C)(C)C#N 850907361 ZXXILDPYCHMTHS-LLVKDONJSA-N 257.333 3.659 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C1CC1)[C@@H](C)C#N 855585107 ZCGGHVCDOZMHQK-KBPBESRZSA-N 264.413 3.886 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H](C)C1CCCC1 750163902 QJTJOQITAALFRC-LBPRGKRZSA-N 287.359 3.689 30 20 CHED C#CCOc1ccccc1-c1noc(-c2oc(C)cc2C)n1 761989850 OJKLKAXIVXTUJB-UHFFFAOYSA-N 294.310 3.625 30 20 CHED CCn1nc(/C=C2/Oc3ccccc3C2=O)c2ccccc21 769740303 APBUKIZOIJORGW-GZTJUZNOSA-N 290.322 3.672 30 20 CHED CCC(CC)(CN[C@H]1CCC[C@H](C#N)C1)SC 765937797 QRZDLITYMDGDLC-STQMWFEESA-N 254.443 3.580 30 20 CHED Cc1oc(-c2ccccc2)nc1C(=O)OCC1(C#N)CCC1 768107704 FOQKKUNRNTURAD-UHFFFAOYSA-N 296.326 3.501 30 20 CHED CC#CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 764472223 KXVVMFHMPDIITL-AWEZNQCLSA-N 278.355 3.822 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCC(F)(F)F 768735003 FDGLLIOAJBMAHB-UHFFFAOYSA-N 265.275 3.592 30 20 CHED COc1cccc(N=Cc2cc(Cl)ccc2O)c1F 769717820 CSADSGGGMLAYTH-UHFFFAOYSA-N 279.698 3.944 30 20 CHED C=C(Cl)C[C@H](NCc1ccc(C2CCC2)cc1)C(=O)O 864519737 XWKQHRNQOXGFMB-HNNXBMFYSA-N 293.794 3.640 30 20 CHED C=CCOCSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 865362509 XLTZEVCTXHVLKS-WCQYABFASA-N 281.425 3.590 30 20 CHED COc1cc(Cl)ccc1N[C@@H](C#N)Cc1ccccc1 773963409 HPCNMAKYYFRMQW-CQSZACIVSA-N 286.762 3.895 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Cc2ccccc2CC#N)c1 776836136 IICSMIWTUVAANQ-UHFFFAOYSA-N 292.382 3.575 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](CCC#N)c1ccccc1 879256046 VPWSSOPZIBCJLS-OAHLLOKOSA-N 270.376 3.750 30 20 CHED CC(C)[C@H]1CC(=NNCc2cnc3ccccc3c2)CCO1 776777708 VTXMIVCKJKGZAA-GOSISDBHSA-N 297.402 3.515 30 20 CHED CCc1oc2ccccc2c1C(=O)N[C@@H](C#N)C1CCCC1 1119506170 LLHOXMVWIFFCCC-AWEZNQCLSA-N 296.370 3.807 30 20 CHED CC(=NOC1CCOCC1)c1cccc2ccccc12 774460976 ZNQIMWVQCVYCEU-UHFFFAOYSA-N 269.344 3.759 30 20 CHED CC(=O)[C@@](C#N)(CCN1CCC[C@H]1C(C)C)c1ccccc1 877996392 RMWLVERFVIEVDP-OALUTQOASA-N 298.430 3.547 30 20 CHED Cc1cccc(CCCOC(=O)c2cc(C#N)cs2)c1 778128706 BBRKKFWKFDDGCV-UHFFFAOYSA-N 285.368 3.718 30 20 CHED N#Cc1cccc(OCCCOC(=O)C[C@@H]2C=CCCC2)c1 778397391 BXULDSVTSFGIHZ-OAHLLOKOSA-N 299.370 3.617 30 20 CHED C=CCCCCCN(C)C(=O)NOC1CCCCC1 777706065 GSBHGQYCBLDROH-UHFFFAOYSA-N 268.401 3.639 30 20 CHED C#Cc1cccc(N(C)C(=O)Cc2ccccc2SC)c1 776895616 URLBWNQYXGHAKO-UHFFFAOYSA-N 295.407 3.595 30 20 CHED Cc1nc2scc(C3CC3)n2c1C=NOC1CCCC1 774607751 IDRDTZIKWHOLLK-UHFFFAOYSA-N 289.404 3.875 30 20 CHED Cc1cc(Br)ccc1CON=C1CCC1 778033340 TXSBCUUBWAFLKL-UHFFFAOYSA-N 268.154 3.814 30 20 CHED C=C(CC)COC(=O)Cc1ccc(-n2nc(C)cc2C)cc1 773494728 AKUBTIDTYVAXFC-UHFFFAOYSA-N 298.386 3.541 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC(F)F)cc1 779720898 XKEUCHWEMFZBOX-UHFFFAOYSA-N 281.302 3.810 30 20 CHED C=C(C)[C@@H](N[C@H](C)C(=O)OCCC)c1ccc(F)c(F)c1 775721394 XQAOLRYPKXSIHC-IAQYHMDHSA-N 297.345 3.513 30 20 CHED CC[C@@H](C#N)OC(=O)c1sc(C2CCCCC2)nc1C 775255241 MPUMCEQNLNGUNX-LBPRGKRZSA-N 292.404 3.958 30 20 CHED C=C(C)Cn1c(N2CC[C@@H](C)[C@H]2CC)nnc1C(C)(F)F 1122430168 OXERHIGRKWOVGG-VXGBXAGGSA-N 298.381 3.591 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(C#N)cc1F)C2=O 772808762 WVSHSMVOXPRASB-ZSOIEALJSA-N 277.298 3.828 30 20 CHED COc1cccc(NN=Cc2cccc(Cl)c2Cl)n1 779819754 VLHWTZZBYDSXOA-UHFFFAOYSA-N 296.157 3.843 30 20 CHED COc1cc(/C=C/C(=O)c2sccc2O)ccc1C 773144071 WBBBOQFNKYNOKB-AATRIKPKSA-N 274.341 3.667 30 20 CHED N#CCOc1ccccc1C(=O)OCC1CCCCCC1 781485262 QIIIEKSRGDFNDF-UHFFFAOYSA-N 287.359 3.716 30 20 CHED CSc1ccccc1CC(=O)Nc1cc(C)cc(C#N)c1 1129810056 YUNGBKDPHRZQRF-UHFFFAOYSA-N 296.395 3.770 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)Nc1cc(C#N)c(F)cc1F 880710987 ZLNZSYLXEMSFGK-SECBINFHSA-N 293.317 3.631 30 20 CHED CSc1ccccc1CC(C)=NNc1ccnc(F)c1 782909000 ZFDFTAZZGVPIRQ-UHFFFAOYSA-N 289.379 3.973 30 20 CHED C[C@@H](CCON=C1CCCOCC1)OCc1ccccc1 788787577 NHUUEXLUHNOOBU-HNNXBMFYSA-N 291.391 3.555 30 20 CHED C[C@H]1CCCC(=NNc2cccc([N+](=O)[O-])c2)[C@H]1C 781113804 HQAWXFRTCTXPAJ-QWRGUYRKSA-N 261.325 3.819 30 20 CHED CCCCC[C@](C)(CC)C(=O)N[C@H](C#N)CCC 782547258 VLGCPMKEZCNJIL-ZFWWWQNUSA-N 252.402 3.791 30 20 CHED C#C[C@H](OC(=O)[C@H]1CCOC2(CCC2)C1)c1ccc(C)cc1 893251933 ZFSPSGIHFVTPSX-IRXDYDNUSA-N 298.382 3.562 30 20 CHED CC(C)[C@@H]1CCc2nc(NC(=O)CCCC#N)sc2C1 890595903 PPYFXHSYNLAIPB-LLVKDONJSA-N 291.420 3.536 30 20 CHED C=C1CCC(c2nc(-c3ccncc3CC)no2)CC1 896116638 WSGQYOBIGIAZKU-UHFFFAOYSA-N 269.348 3.908 30 20 CHED Cc1ccc(NN=Cc2ccc(N(C)C(C)C)nc2)cc1 790136390 JUQUPCNEBXMSRD-UHFFFAOYSA-N 282.391 3.681 30 20 CHED CC[C@@H](C)NN=Cc1cnc(-c2ccc(C)cc2)s1 790188461 JKUBPCZTFTXMIP-GFCCVEGCSA-N 273.405 3.841 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCCC(F)(F)F)cc1 796041311 QEMNMYFNSPEUOF-UHFFFAOYSA-N 285.265 3.597 30 20 CHED C#C[C@H](NC(=O)c1csc2cc(C)ccc12)C(C)C 799043983 JLJVJZNLANJADD-AWEZNQCLSA-N 271.385 3.597 30 20 CHED C=CCNC(=S)N1CCC(c2cccc(Cl)c2)CC1 795028258 JPWKEMOFEXYBOF-UHFFFAOYSA-N 294.851 3.580 30 20 CHED C=C(Cl)C[S@](=O)[C@@H]1CCc2cc(Cl)ccc21 794791437 VRVBUVUBKUDGLE-WBMJQRKESA-N 275.200 3.829 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CCC=CO1 795815821 DVXHXZXVDAAZDD-FUHWJXTLSA-N 282.387 3.608 30 20 CHED CC(=NNCCC(F)(F)F)c1nc2ccccc2s1 794546683 AQNPWTUWAURNRS-UHFFFAOYSA-N 287.310 3.562 30 20 CHED C[C@H](NN=Cc1cscc1Br)C(C)(C)C 793114718 IRAROWLFRYQXDU-QMMMGPOBSA-N 289.242 3.869 30 20 CHED C=CCC(C)(C)C(=O)OCCOc1ccc(C)cc1 796462070 VWUPCIPLJADJGJ-UHFFFAOYSA-N 262.349 3.519 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNc1nc(O)c2ccccc2n1 797401214 FUVPYJNRWGYNAZ-NWDGAFQWSA-N 298.390 3.950 30 20 CHED CC1(C)Cc2cc(N[C@H]3CC[C@@H](C#N)C3)ccc2O1 799724289 KGJBREHZOSXASR-YPMHNXCESA-N 256.349 3.504 30 20 CHED COc1ccccc1CON=Cc1cc(C)sc1C 799116605 BHFZIQFIQDJLBA-UHFFFAOYSA-N 275.373 3.924 30 20 CHED Cc1cc(N[C@H](C)CCc2ccccc2)ncc1C#N 1153633234 CWABTLZCUFSHMG-CQSZACIVSA-N 265.360 3.695 30 20 CHED N#Cc1ccc(SCC(=O)c2cc(F)ccc2F)cc1 1307293568 RCTVTQIFJLYLQA-UHFFFAOYSA-N 289.306 3.811 30 20 CHED Cc1cc(N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c(C#N)cn1 1162618876 LJSOYGVMQWLGHK-KBXCAEBGSA-N 291.398 3.892 30 20 CHED C[C@H]1C[C@H](NCCc2ccc(C#N)cc2)CC[C@H]1C 1172359788 NVSNVJQWXXXZEQ-JKIFEVAISA-N 256.393 3.515 30 20 CHED N#Cc1cccc(-c2nnc(/C=C\c3ccccc3C#N)o2)c1 1322343165 OLNIAGVQVURWQE-HJWRWDBZSA-N 298.305 3.650 30 20 CHED N#CCOc1ccc(NC(=O)c2cc(Cl)cs2)cc1 1321104659 IMWBFYNNJFEYFV-UHFFFAOYSA-N 292.747 3.556 30 20 CHED N#Cc1cccc(OCc2cccnc2C(F)(F)F)c1 704185827 CXQXHTFQVLGPSJ-UHFFFAOYSA-N 278.233 3.551 30 20 CHED CCCCCCCCC(=O)N(C)CC1=CCSC1 1328514068 WYDALLIEJNNXMH-UHFFFAOYSA-N 269.454 3.869 30 20 CHED C=CCC[C@@H](C(=O)NC/C=C/C1CC1)c1ccccc1 1324313816 YHBHGQHJJAIHIM-IWAYRVGRSA-N 269.388 3.819 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCCOc2ccccc2)C1 1321277273 OLIXQYYFIUBKFU-HZPDHXFCSA-N 272.392 3.518 30 20 CHED CC(C)C1CCC(NCCc2ccc(C#N)cc2)CC1 1258799317 QRDRGXCSJSUZIA-UHFFFAOYSA-N 270.420 3.905 30 20 CHED CC[C@H]1CCC[C@H](NCc2cccc(OCC#N)c2)C1 68590224 SVEHTPVPVLORPB-HOCLYGCPSA-N 272.392 3.647 30 20 CHED CC(C)(C)Oc1ccc(CCNc2ccnc(C#N)c2)cc1 1258116729 SRFYEJOGVGSSOL-UHFFFAOYSA-N 295.386 3.785 30 20 CHED C#CCCCCCc1nnc(-c2cc(C)cs2)o1 1261844113 CAFFNLDKNCBNRC-UHFFFAOYSA-N 260.362 3.843 30 20 CHED Cc1ncsc1CSCCOc1ccc(C#N)cc1 1343580850 HSKYOIZRZNEWFB-UHFFFAOYSA-N 290.413 3.635 30 20 CHED CC1=C(C)C[C@H](C(=O)[C@H](C#N)c2cccc(F)n2)CC1 1263385617 XPXMFUXTQGWPRT-CHWSQXEVSA-N 272.323 3.533 30 20 CHED CCSc1ccccc1CC(=O)Nc1ccccc1C#N 1264115748 FEUBYPSVNGZFJG-UHFFFAOYSA-N 296.395 3.851 30 20 CHED Cc1cccc(C2(C(=O)O[C@H]3CC[C@@H](C#N)C3)CCC2)c1 1344605283 PYCPMMHRYITBOZ-ZBFHGGJFSA-N 283.371 3.652 30 20 CHED N#CCCCCOC(=O)c1cc2c(Cl)cncc2s1 1346133198 XLQRVVDDJCJRCH-UHFFFAOYSA-N 294.763 3.800 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(C#N)s1 1266691082 HEUZKBJPYVCOAT-ZDUSSCGKSA-N 276.405 3.661 30 20 CHED C=C(C)Cn1c([C@@H]2CCCC2(F)F)nnc1N(C)CCC 1341932639 ZEWAJYXTNPXREI-LBPRGKRZSA-N 298.381 3.603 30 20 CHED N#Cc1sccc1C(=O)Nc1cccc(-c2cnco2)c1 1356166342 XHSAZWOZXMNWCG-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1ccc(C(=O)N(c2cccc(C#N)c2)C2CCC2)o1 1350252487 QSFSHPSGLLQANM-UHFFFAOYSA-N 280.327 3.659 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(-c2cnc[nH]2)cc1 1514860450 XYGYHGLQXAKHPL-MRXNPFEDSA-N 295.386 3.648 30 20 CHED C[C@H](OC(=O)C(C)(C)C#N)c1cc(Cl)ccc1F 1520526978 XCWIUUUSENEHQK-QMMMGPOBSA-N 269.703 3.633 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccccc1-c1cc[nH]n1 1520318928 NBQBYSPXPPGDBU-UHFFFAOYSA-N 269.348 3.618 30 20 CHED CC1(CC(=O)Nc2ccc(F)c(C#N)c2)CCCCC1 1536913411 PULIOPHSNOALEZ-UHFFFAOYSA-N 274.339 3.996 30 20 CHED N#Cc1cc(F)ccc1NC(=O)NC1CCCCCCC1 1465800838 VWPRAFNFOZKXGW-UHFFFAOYSA-N 289.354 3.932 30 20 CHED CC(=O)[C@H](Sc1cccc(C#N)c1)c1ccccc1 1472996452 AVXGIGBJYBXHLE-INIZCTEOSA-N 267.353 3.981 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1F 1530450922 JWTJFCZNWMFARW-LBPRGKRZSA-N 282.318 3.515 30 20 CHED CC(C)CC1(CNC(=O)Nc2cc(F)cc(C#N)c2)CC1 1476982550 GAFJBNQEWZERSP-UHFFFAOYSA-N 289.354 3.645 30 20 CHED Cc1cc(NCc2cc3ccccc3o2)ncc1C#N 1472660175 OKEHTBJENPUVIT-UHFFFAOYSA-N 263.300 3.620 30 20 CHED Cc1cc(CN2C[C@H](C)CCC[C@H]2C)ccc1C#N 1621175895 KZDSLZVBHPVILQ-UKRRQHHQSA-N 256.393 3.877 30 20 CHED CC(C)[C@H](Cc1ccccc1)Nc1cccc(C#N)n1 1559278358 YTBVFOZBNNHPRL-INIZCTEOSA-N 265.360 3.632 30 20 CHED C=C(Cl)CNC(=O)c1c(OCC)ccc2ccccc12 1565817375 NTQPXAMQTSMXHR-UHFFFAOYSA-N 289.762 3.721 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 5129160 WRAQQUVNZWBWLE-VQHVLOKHSA-N 280.323 3.874 30 20 CHED Cc1cccc2c1CCC2=NNc1cccc(C(=O)O)c1C 1776086897 VCIYEWVOCSVJPX-UHFFFAOYSA-N 294.354 3.764 30 20 CHED CC[C@@]1(C)CCCC1=NNc1ccccc1C(=O)O 1776031145 PGQVRNXKRHCTLB-HNNXBMFYSA-N 260.337 3.753 30 20 CHED C=CCN(CCCCCC(=O)O)Cc1ccc(Cl)cc1 1776178891 ORMHDNDJJFLOJZ-UHFFFAOYSA-N 295.810 3.973 30 20 CHED C=CCc1ccccc1CN(C)[C@H](C(=O)O)c1ccccc1 1776189068 GKFWSAQOTIBJIV-SFHVURJKSA-N 295.382 3.673 30 20 CHED Cc1ccc(SCCN(C)[C@@H](C)CC#N)cc1C 161994132 PYKPKKKMJGUTNR-AWEZNQCLSA-N 262.422 3.630 30 20 CHED C#CCCCOc1ccc([N+](=O)[O-])c2ccccc12 169039450 BVNICXZZXBYYII-UHFFFAOYSA-N 255.273 3.540 30 20 CHED N#CCOc1ccc(N[C@@H]2Cc3ccc(Cl)cc3C2)cc1 158838246 GHLNUVFWTLJTGF-MRXNPFEDSA-N 298.773 3.822 30 20 CHED CC(C)CCN(CCC#N)C(=O)CCC(C)(C)C 158877138 URZHCCPOBAKXHQ-UHFFFAOYSA-N 252.402 3.601 30 20 CHED COc1ccc(C)cc1[C@H](C)OC(=O)C1(C#N)CCCC1 160127653 IPMYTHFOTFATOM-ZDUSSCGKSA-N 287.359 3.692 30 20 CHED C[C@H]1CC(Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 165480438 IKBIBYSIOPWISF-UWVGGRQHSA-N 298.308 3.945 30 20 CHED C=CCCS[C@@H](C)C(=O)N(C)Cc1ccccc1C 151991323 DNOGGEFOQQQHMD-AWEZNQCLSA-N 277.433 3.651 30 20 CHED C=C(C)CN1CCC(N[C@H]2c3ccccc3C[C@H]2C)CC1 152980534 JXRXORUMKDONNU-DNVCBOLYSA-N 284.447 3.550 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)[C@@H](C#N)c1ccccn1 152263475 XBQKNSZYJCURKS-KBPBESRZSA-N 270.376 3.864 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1ccc(OC(F)F)cc1 157649069 WDRZWUFRTQXXTR-RYUDHWBXSA-N 282.334 3.831 30 20 CHED CCc1noc(C)c1CNc1cc(C#N)ccc1OC(C)C 159415163 ZPHAGLODCQZBBC-UHFFFAOYSA-N 299.374 3.816 30 20 CHED N#Cc1ccc(N2CCCC23CCC3)cc1Br 1655879266 ZVBYTSHMJOMWPH-UHFFFAOYSA-N 291.192 3.844 30 20 CHED Cc1cc(C#N)ccc1N1CCC[C@@H]1c1ccccn1 846755057 DOYBGTKSNNTYTH-QGZVFWFLSA-N 263.344 3.603 30 20 CHED CCCCCCCCCC(=O)N1CCSCC1 2006492 QLFCWGASVFFKOC-UHFFFAOYSA-N 257.443 3.703 30 20 CHED CC(C)COc1ccccc1NCc1ccc(C#N)o1 119034279 HEPPVRJIMHXYGU-UHFFFAOYSA-N 270.332 3.798 30 20 CHED C=CC[C@@H](C)NCc1nc2ccccc2n1CCC 119310150 JDJGKERVKNQBHE-CYBMUJFWSA-N 257.381 3.501 30 20 CHED COc1cc(C)ccc1OCc1ccc(C#N)cc1F 10856491 GYCIMWHTEDIYPX-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C=CCCOCCNC1CC(c2ccc(Cl)cc2)C1 154284984 BWBVULWIHIRLBF-UHFFFAOYSA-N 279.811 3.768 30 20 CHED N#Cc1c(F)cccc1NCc1ccc(F)cc1F 36138560 KNGJLACLNGOYNH-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CC(C)[C@H](C#N)NC(=O)CCc1ccc(Cl)cc1Cl 264674253 ZGERTNVYACSAIY-ZDUSSCGKSA-N 299.201 3.590 30 20 CHED C#CCN(C(=O)c1ccc(CC)cc1)C1CCCCC1 65777790 LVRGUNPRQFDKDQ-UHFFFAOYSA-N 269.388 3.657 30 20 CHED C=CC[C@@H](C)N[C@H](c1ccccc1)c1ccccn1 166146699 CTIJKBUCCSEUID-RHSMWYFYSA-N 252.361 3.725 30 20 CHED CS[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 294495025 YWAMCIJAJDJNNQ-NSHDSACASA-N 286.322 3.519 30 20 CHED C=C(Br)CN(C)C1CCCCCCC1 302984756 DTSRPVDTWJJUFR-UHFFFAOYSA-N 260.219 3.940 30 20 CHED COc1ccc(CNc2cc(C)cc(C#N)c2)c(F)c1 308120286 GBHFOBVFONWZQY-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)[C@H]1C[C@H]2CC[C@H]1C2 404262862 SRSKZDPBELPBPK-LMRQPLJMSA-N 272.367 3.612 30 20 CHED N#Cc1ccc(CNC2(C(F)F)CCCCC2)cc1 510106969 WTYWQUDDUIXMRW-UHFFFAOYSA-N 264.319 3.616 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cccc(C#N)c2)C1 75984665 CLEWPILIAVGPLT-DOMZBBRYSA-N 271.364 3.601 30 20 CHED C=CCC(C)(C)CNCc1c[nH]nc1-c1ccc(C)o1 336832641 MIFUHDQLSVGBRH-UHFFFAOYSA-N 273.380 3.670 30 20 CHED C=C(C)CN(CC)Cc1cnc(C(F)(F)F)s1 447795094 LQSWTBABTNABLB-UHFFFAOYSA-N 264.316 3.560 30 20 CHED N#Cc1cc(N2CCC[C@@H]3C[C@H]32)ccc1C(F)(F)F 588066608 TVHOMGGHBKUGMJ-NOZJJQNGSA-N 266.266 3.566 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCCc1ccccc1 804835514 XIYOQYZFOBXDAU-UHFFFAOYSA-N 291.394 3.671 30 20 CHED CC1(C)CN(Cc2ccccc2C#N)[C@@H]2CCC[C@H]21 378854206 XHLOLSPRBBZLRC-HZPDHXFCSA-N 254.377 3.569 30 20 CHED CC[C@@H]1[C@H](C)CCN1c1nc(C)c(C#N)cc1Cl 384279598 DOHHZWKUKLCJJR-NOZJJQNGSA-N 263.772 3.540 30 20 CHED C=CCCOC(=O)c1cc(Br)ccc1Cl 729073231 IAMOCBYOENZVTQ-UHFFFAOYSA-N 289.556 3.835 30 20 CHED N#CCCC1CCN(Cc2ccc(F)c(Cl)c2)CC1 399431293 YTGKQYWVMLTIIK-UHFFFAOYSA-N 280.774 3.995 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1 767049782 MUUYTQLRFPPEHI-UHFFFAOYSA-N 270.159 3.981 30 20 CHED N#CCc1ccc(OC[C@H](O)c2ccc(Cl)cc2)cc1 771585121 DOMAGWGLOFJDRZ-INIZCTEOSA-N 287.746 3.518 30 20 CHED CC(C)N(Cc1ccccn1)Cc1cc(C#N)ccc1F 52218152 GPSMJLVZIRQGSD-UHFFFAOYSA-N 283.350 3.503 30 20 CHED C=CC1CCN(Cc2cc(F)cc3cccnc23)CC1 111259050 NMTKPPTTXIVKBE-UHFFFAOYSA-N 270.351 3.772 30 20 CHED N#Cc1csc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 344348016 IJNXINPILDDYAR-MELADBBJSA-N 260.406 3.678 30 20 CHED CCCCCCCCC(=O)N1CC(=O)Nc2ccccc21 106167590 MVVFSPKIIYWHKJ-UHFFFAOYSA-N 288.391 3.722 30 20 CHED COc1cc(C#N)ccc1OC(=O)/C=C(\C)c1ccccc1 54451149 FWWLMIOKMINNHX-JLHYYAGUSA-N 293.322 3.576 30 20 CHED C#CCOc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1 108523997 QREFHJDAEYDPTE-CYBMUJFWSA-N 298.342 3.517 30 20 CHED CCN(C(=O)c1cc(C)cc(C)c1)c1ccc(C#N)cc1 174072009 FDQCBLOTIVUXHS-UHFFFAOYSA-N 278.355 3.842 30 20 CHED C[C@H](C#N)CNCc1ccc(-c2nc3ccccc3s2)o1 54180629 XTMXBZSSNPCFCN-LLVKDONJSA-N 297.383 3.806 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)c1cc2ccccc2o1 176415225 GVIMVMRSTNSFHW-RYUDHWBXSA-N 257.333 3.617 30 20 CHED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(C)n1C1CC1 116807815 XUQOTYUWTJYVKV-SGTLLEGYSA-N 299.418 3.642 30 20 CHED CCCCCCCCC(=O)Nc1nnc(C)s1 108448066 ACASJJUEAJVEBT-UHFFFAOYSA-N 255.387 3.536 30 20 CHED CCCCCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 106419182 GZPWUHKXASXGJD-ZDUSSCGKSA-N 264.756 3.601 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)CCc2cc(O)ccc21 60340105 LLAGCUPIHSKHHM-YRNVUSSQSA-N 286.277 3.883 30 20 CHED CC(C)[C@H](CNCc1ccc(C#N)s1)Nc1ccccc1 176965475 MMTIWCJJTHACAA-KRWDZBQOSA-N 299.443 3.846 30 20 CHED C[C@H]1C[C@H](C)CN(c2ccc3cc(C#N)ccc3n2)C1 301823640 NGZWWHCOMZEKLD-STQMWFEESA-N 265.360 3.589 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 23524504 JBNSRHAGQWCTRM-LLVKDONJSA-N 269.275 3.615 30 20 CHED COc1ccc(CN(C)Cc2ccc(F)c(C#N)c2)cc1C 119909899 SXWNTSHYJOOQSC-UHFFFAOYSA-N 298.361 3.646 30 20 CHED C#CCOc1cccc(NC(=O)Nc2ccccc2C)c1 113569816 YXXWUIKESZGBNP-UHFFFAOYSA-N 280.327 3.651 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(OC)c(O)c1 178411872 GYMYFFVBJPJCBR-AWEZNQCLSA-N 263.381 3.625 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(C#N)c1C 179702433 DOUSGPQFDWQLRU-LBPRGKRZSA-N 271.364 3.733 30 20 CHED C[C@@H](CC#N)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 68482337 OPSYVKRUZKUWJA-UWVGGRQHSA-N 272.270 3.538 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc12 69324270 FLORCDLBUAEEHG-CABCVRRESA-N 297.398 3.998 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](C)CC2CC2)c1 112736572 OMIKAAWJBWBNAK-LBPRGKRZSA-N 274.364 3.562 30 20 CHED CC(C)CN1CC[C@@H](CNc2c(Cl)cccc2C#N)C1 301620537 XRIASMNMHOIIJF-ZDUSSCGKSA-N 291.826 3.601 30 20 CHED C=CCCCN1CCC(c2c[nH]c3ncccc23)CC1 120654916 WRXYAJOJIJOEFV-UHFFFAOYSA-N 269.392 3.709 30 20 CHED C[C@H](CC#N)NC(=O)c1ccc(-c2ccccc2Cl)o1 64318528 XVLSAQLMJGDIQP-SNVBAGLBSA-N 288.734 3.632 30 20 CHED CC[C@@H](C)Oc1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1 175983615 FLAASQVERVNRLL-CXAGYDPISA-N 288.391 3.532 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(Cl)ccc2C)c1 121746279 GOAPVKWLDRAJRH-UHFFFAOYSA-N 283.758 3.906 30 20 CHED CC[C@@H](C#N)Sc1ncc(-c2ccc(F)cc2)[nH]1 127315778 APHDMGKEKZKYII-NSHDSACASA-N 261.325 3.610 30 20 CHED C=CCSCCNc1nc(C)nc2scc(C)c12 302297308 PCEPXLLNEHEVFM-UHFFFAOYSA-N 279.434 3.639 30 20 CHED Cc1ccnc(N(C)Cc2cccc(C#N)c2)c1Cl 358847020 RRSBLYNEVNPITP-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CC#CCCCC(=O)N1CCCC[C@H]1CCC(C)C 186037164 YWNHHHNNPYHXFU-INIZCTEOSA-N 263.425 3.997 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccsc2Br)C1 282426240 MDTAQFOYZGAFHQ-MWLCHTKSSA-N 299.237 3.683 30 20 CHED N#Cc1ccc(CNC2CC(c3cccc(F)c3)C2)cc1F 404865245 ZMYPNFKIDKWIRF-UHFFFAOYSA-N 298.336 3.872 30 20 CHED COc1cc(C#N)ccc1N[C@@H](C)c1cccc(C#N)c1 129976341 TZFQWPPBDXKUSR-LBPRGKRZSA-N 277.327 3.612 30 20 CHED C[C@@H](NC(C)(C)CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 185827482 AUCZOFNQWWTKMJ-RYRKJORJSA-N 299.462 3.788 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1cn(C)nc1C)C2=O 184764538 PVPCXUDFMXQAOC-ZROIWOOFSA-N 280.371 3.558 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)cc1NC(C)C 180232861 FHJOOZMJWXUUBL-UHFFFAOYSA-N 276.355 3.778 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1c[nH]c2c(C)cccc12 182652113 REYJDNASXILBMW-AWEZNQCLSA-N 284.403 3.880 30 20 CHED CCCCCCCCC(=O)N1CCC(n2cccn2)CC1 126750584 CLAWGXBKAGTNFB-UHFFFAOYSA-N 291.439 3.797 30 20 CHED C=C[C@@H]1CCCCN1Cc1csc(CCC)n1 489445112 ZQNSTOUQNWITSA-CYBMUJFWSA-N 250.411 3.636 30 20 CHED O=C(/C=C/c1cncs1)c1ccccc1OC(F)F 129903278 VOFCVWRMDMJTQO-AATRIKPKSA-N 281.283 3.641 30 20 CHED CCCCCOc1ccc(/C=C/C(=O)c2cnn(C)c2)cc1 72039190 ZHFYJVSLKJXXJU-DHZHZOJOSA-N 298.386 3.885 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(OC(F)F)cc2)C1 185723829 RSBHOTKXWLDQOF-PWSUYJOCSA-N 266.291 3.782 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 188593891 GWLOXUWGKPGEBV-YJBOKZPZSA-N 289.419 3.709 30 20 CHED N#Cc1cccc(CNc2cc(F)cc(Cl)c2)c1 128402751 DKGHSQCWZJUMSZ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCCCCCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1 128069791 VBOPPCWEDDQJHB-HNNXBMFYSA-N 286.375 3.694 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(C(F)F)cc1 334304968 CRPRWRVSJVREKV-UHFFFAOYSA-N 272.254 3.748 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1OC(C)C 181579161 ZCBYOIVHWRGAHE-UHFFFAOYSA-N 262.353 3.514 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)CSc1ccc(F)cc1 180466169 OXGCSMNMEHHUAL-LBPRGKRZSA-N 281.396 3.588 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(OC)cc1 182650614 CITGCHQLPPKBIS-LSDHHAIUSA-N 289.419 3.735 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2ccccc2C)c1 211774623 WBRBCZGBOGHTCG-KHPPLWFESA-N 279.339 3.850 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)C[C@@H](CC#N)c1ccccc1 411084740 JOAHHIZPPZWYAL-GDBMZVCRSA-N 284.403 3.863 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C(C)C)cc2)nn1C 210379313 JUEBCKLGGUNNRJ-KTKRTIGZSA-N 268.360 3.748 30 20 CHED CC(C)OCCC(=O)Nc1scc(C(C)(C)C)c1C#N 410932185 XCJSDGRFCHAQIK-UHFFFAOYSA-N 294.420 3.671 30 20 CHED COc1ccc2ccc(OCC3(C#N)CCC3)cc2c1 418813614 YTHMVSZLHUCWHU-UHFFFAOYSA-N 267.328 3.921 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@H]1CC[C@@H](C)C1 411076294 ZEIODGPXJVLVKT-YPMHNXCESA-N 284.359 3.526 30 20 CHED Cc1nc(CSCC2(C#N)CCC2)c(C)s1 419450562 STIUSSCOFRKXPZ-UHFFFAOYSA-N 252.408 3.687 30 20 CHED C=CC[C@@H](C(=O)N1CCC(C)(C)C1)c1ccccc1 189941312 CCRBTZPBIBKEMM-OAHLLOKOSA-N 257.377 3.605 30 20 CHED N#CC1(CSCc2ccc(F)c(F)c2)CCC1 419355565 MDAALOGDJLVLLE-UHFFFAOYSA-N 253.317 3.892 30 20 CHED Cc1cccc(C(=O)/C=C/c2cccc3nccn23)c1 180309602 KIRSKLSEIUULKJ-CMDGGOBGSA-N 262.312 3.539 30 20 CHED C=CCC[C@@H](C(=O)N(CC)CC(F)F)c1ccccc1 189083022 NPWJFCCUFNWVOK-CQSZACIVSA-N 281.346 3.850 30 20 CHED CCCN(C)C[C@H]1CCN(CCC2(C#N)CCCCC2)C1 411310939 VYNOJDNODLCPPH-QGZVFWFLSA-N 291.483 3.514 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](c1cccc(Cl)c1)C(C)C 183879112 LSZLWDFKSCQVEC-GJZGRUSLSA-N 292.810 3.888 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1CCC[C@@H](C)C1 505201101 LNFJOLJWZUEJDI-CVEARBPZSA-N 278.440 3.991 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(C)nc1Sc1ccccc1 132475189 GXWZXAMXLUYVNF-LBPRGKRZSA-N 298.411 3.846 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2CCC2CCCC2)cn1 410207480 OUTPOIZNIWSCPL-MRXNPFEDSA-N 269.392 3.892 30 20 CHED N#CC1(CCn2cc(-n3cccc3)cn2)CCCCC1 418901920 MJQWBESDFTVVNF-UHFFFAOYSA-N 268.364 3.538 30 20 CHED CCC(CC)CN1CCCN(c2ccccc2C#N)CC1 509123733 NGGHBGVUIXGVFM-UHFFFAOYSA-N 285.435 3.507 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N(C)[C@H](C)CC#N)cc1 132272404 TYQFDAPWPYWTAT-CABCVRRESA-N 286.419 3.749 30 20 CHED Cc1cc2cc(OCCC(C)(C)C#N)ccc2n1C 419114728 SITYCEMLBWMWJJ-UHFFFAOYSA-N 256.349 3.805 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@H]2CCC[C@H]2C1 413834409 LYTPXOSUCFMZDS-KSZLIROESA-N 298.430 3.615 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C)C1 508490936 ROVNVCLBYGWDBF-CQSZACIVSA-N 296.418 3.676 30 20 CHED COCC[C@@H](C)CNc1ccc(C#N)cc1C(F)(F)F 413490249 INVIVXVFWIRPLI-SNVBAGLBSA-N 286.297 3.662 30 20 CHED C=CCSCCN[C@@H](CC)c1ccc(F)cc1 221945882 GQWZQCRBTURDHA-AWEZNQCLSA-N 253.386 3.786 30 20 CHED OC[C@@H]1CCC[C@H](C/N=C(/O)[C@H]2CC3CCC2CC3)C1 328584648 BRQJNNBQDXVHIL-BJWPUDQFSA-N 279.424 3.568 30 20 CHED CCCCCCCCCS(=O)(=O)[C@H](C)c1cnccn1 190950311 MZVBFICMXZQWII-CQSZACIVSA-N 298.452 3.703 30 20 CHED CC[C@H](CN(CC)C(=O)c1ccc(C#N)o1)c1ccccc1 501302805 AURLLVJBFVHFDV-CQSZACIVSA-N 296.370 3.807 30 20 CHED C[C@@H]1[C@@H](/N=C(/O)c2snnc2C2CC2)CCC[C@H]1C 329819173 OYQUIUHFVLFBKL-YWVKMMECSA-N 279.409 3.545 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1cccc(CC#N)c1 507992923 MTQLTAOIDFOOEB-UHFFFAOYSA-N 292.382 3.726 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)ccc1OCCC 138636921 GOGLYHOBPNSNHP-UHFFFAOYSA-N 297.782 3.660 30 20 CHED CC(C)CCN(CC#Cc1ccc(Cl)cc1)CCC#N 426453081 CCUIWXOPURNNOY-UHFFFAOYSA-N 288.822 3.953 30 20 CHED CCc1ccc(-c2noc(-c3ccc(C#N)cc3)n2)cc1 226659368 UKXXGKZPMDRCFA-UHFFFAOYSA-N 275.311 3.838 30 20 CHED C#CCCCC(=O)N1CC=C(c2ccc(OCC)cc2)CC1 190556612 CRMIPXHMBKDEJF-UHFFFAOYSA-N 297.398 3.505 30 20 CHED N#Cc1ccc(OCCSc2ccc(C#N)cc2)cc1 48512117 PCPHQXSGIDRFTG-UHFFFAOYSA-N 280.352 3.601 30 20 CHED CCn1cc(/C=C/C(=O)c2ccccc2SC)cn1 194594247 XHXYQXXWJKLEII-CMDGGOBGSA-N 272.373 3.521 30 20 CHED C=CCCCCCN(C)Cn1nccc1-c1cccnc1 131397032 JKWSONDELDOWDZ-UHFFFAOYSA-N 284.407 3.581 30 20 CHED CCC[C@@H](CCc1ccccc1)NCc1cc(C#N)n(C)c1 191190409 XBGPEEMEPBUNKI-SFHVURJKSA-N 295.430 3.788 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)CCc1ccc(OC)cc1 429808224 LMUGRSKXHBZLBW-CQSZACIVSA-N 289.419 3.735 30 20 CHED C=CCN1C(=O)/C(=C/c2cc(C)cc(C)c2)SC1=S 49391104 JMTUDOYRJJTVJP-LCYFTJDESA-N 289.425 3.691 30 20 CHED C=CCN(CC=C)C(=O)[C@H](OC(C)(C)C)c1ccccc1 193125395 ONIAKPODDAUNAY-MRXNPFEDSA-N 287.403 3.743 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 424749074 QAJOBZOGWDOBEG-UHFFFAOYSA-N 297.402 3.992 30 20 CHED C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 228889796 UVIZRTHLYWZSNF-SNVBAGLBSA-N 279.181 3.557 30 20 CHED CC(C)O[C@@H](CN(CC#N)C1CCCC1)c1ccccc1 428247261 TUIXVHAVWDYEIF-SFHVURJKSA-N 286.419 3.921 30 20 CHED C[C@H]1CN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC(C)(C)C1 335131597 AKRPRYDAMCYOCZ-IUODEOHRSA-N 285.391 3.503 30 20 CHED CCc1nc(C)c(C(O)=Nc2cnc(C(C)C)nc2)s1 331071967 JETCVEPFHVWNGV-UHFFFAOYSA-N 290.392 3.564 30 20 CHED C=Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 192205348 JYGMSILTFDGHDW-ZDUSSCGKSA-N 292.338 3.873 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 237964363 RZAAGOIFTXAKBR-UHFFFAOYSA-N 293.750 3.745 30 20 CHED C[C@@H](CCc1cccc(C(F)(F)F)c1)NCCC#N 426004899 QMMDKGXDTPNWCF-NSHDSACASA-N 270.298 3.530 30 20 CHED CC(C)(CCC#N)CN1CCC[C@H](Nc2ccccc2)C1 93704501 XQBZBBAOHKWHOP-KRWDZBQOSA-N 285.435 3.893 30 20 CHED N#CC1(c2nc([C@@H]3CCCCS3)no2)CCCCC1 335861406 YCFJHSRWABGMFX-NSHDSACASA-N 277.393 3.753 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 428883206 UPALAKNQELNFDJ-YQQAZPJKSA-N 286.419 3.847 30 20 CHED CCCCSCCC(=O)Nc1ccccc1CC#N 339194283 RISQAKCBKIPGOT-UHFFFAOYSA-N 276.405 3.615 30 20 CHED Cc1nnc(SC[C@@H]2CCCCC2(F)F)c(C#N)c1C 295685088 HPMFYAGDLDOIQN-NSHDSACASA-N 297.374 3.883 30 20 CHED Cc1cc(Cl)ccc1C(=O)N[C@@](C)(C#N)CC(C)C 330485097 ZLLXZLZKCVVWPT-OAHLLOKOSA-N 278.783 3.707 30 20 CHED COc1ccc(O)c(/C(O)=N/CC2CCC(F)(F)CC2)c1 330391908 AICHSVJVZQXFED-UHFFFAOYSA-N 299.317 3.531 30 20 CHED C[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccccc1 235125742 LXSBMIDANKENIT-VIFPVBQESA-N 277.780 3.884 30 20 CHED CCc1nc(C)c(C/N=C(/O)NC2CCC(C)(C)CC2)o1 330189774 MASSRBRPXURZGG-UHFFFAOYSA-N 293.411 3.518 30 20 CHED N#Cc1cc(F)ccc1NC(=O)NC1CCCCCC1 97036386 ULPBMJQSYIGNNL-UHFFFAOYSA-N 275.327 3.542 30 20 CHED CCCCCCCC(=O)NCc1cccc(OC)c1OC 248267817 OZLULLQVDNNLBD-UHFFFAOYSA-N 293.407 3.681 30 20 CHED C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1cccc(C#N)c1 341765749 AKSDPDYGZNOURC-YUNKPMOVSA-N 287.359 3.707 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H](CCC)OCC 529274079 LSBVNQBXDXRPSC-INIZCTEOSA-N 275.392 3.949 30 20 CHED Cc1cc(CNC(=O)c2ccc(C#N)s2)ccc1Cl 348087482 QJMVRECUWYPZSJ-UHFFFAOYSA-N 290.775 3.512 30 20 CHED CCCOc1ccc(/C=C\c2ccncc2C#N)cc1OC 347433112 PGARMIDLTXNAFX-XQRVVYSFSA-N 294.354 3.921 30 20 CHED CCC(CC)(CC)CN[C@H](C)CC1(C#N)CCOCC1 602571735 XHASYDVQFWZCOS-OAHLLOKOSA-N 280.456 3.891 30 20 CHED COc1cc(C#N)ccc1CN(C)Cc1sccc1C 347285893 UFXHGFACSXTVEG-UHFFFAOYSA-N 286.400 3.569 30 20 CHED C[C@H](CCC#N)CNc1ccc(NC(=O)c2ccco2)cc1 602484000 KQIPXJJTKBIZLT-CYBMUJFWSA-N 297.358 3.884 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC=CCC1 341761755 RSBUJUPBUFZWIS-KDOFPFPSSA-N 266.388 3.882 30 20 CHED Cc1cc(F)cc(NC(=O)/C=C\c2ccccc2C#N)c1 255297315 PNWRZAXGJHJHES-SREVYHEPSA-N 280.302 3.658 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)Nc1ccc(CC#N)cc1 602775360 IQWRTYCUGOGSHZ-GFCCVEGCSA-N 271.364 3.547 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CC(C)(C)c2ccccc21 602578123 VFYQGMMVYPPMTR-XJKSGUPXSA-N 256.393 3.938 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1N 602441207 VZFHKYAUVYPDMW-UHFFFAOYSA-N 297.377 3.690 30 20 CHED Cc1c(C(=O)N(CC#N)C2CC2)oc2ccc(Cl)cc12 299187119 BQVZWZTYVRQXJW-UHFFFAOYSA-N 288.734 3.523 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCCO1 346778024 LFHISRPRBQPLOO-SFHVURJKSA-N 286.419 3.585 30 20 CHED COc1ccc(-c2ccccc2)cc1CNCCCC#N 344335071 QROIIRWMBUSVSL-UHFFFAOYSA-N 280.371 3.756 30 20 CHED C=CCCCC[C@H](C)NC[C@]1(C)CCO[C@H]1C1CC1 449254526 YLYWITAHAAONRH-XIRDDKMYSA-N 265.441 3.916 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 527483420 QAVVNTDSZVIWKJ-PVXIVEMSSA-N 261.365 3.622 30 20 CHED CC[C@@H](N=c1ccn(CCC(C)C)[nH]1)c1ccc(C#N)cc1 447604021 ZXQFSRJDDMCXIB-QGZVFWFLSA-N 296.418 3.786 30 20 CHED COc1ccc(Cl)c(N=Cc2ccccc2O)c1 255779494 ZPGPKAZCNLKEBD-UHFFFAOYSA-N 261.708 3.805 30 20 CHED C=CCCC1(C(=O)Nc2ccc3scnc3c2)CC1 355555127 OWMCUDNBWIQYJP-UHFFFAOYSA-N 272.373 3.981 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1cc(C)oc1C 353161354 CLEZJCDBHPPADQ-WCQYABFASA-N 264.369 3.611 30 20 CHED N#Cc1csc(CNCc2cc(C3CC3)ccc2F)c1 449372022 BIEWGTMKCGVGOH-UHFFFAOYSA-N 286.375 3.926 30 20 CHED COc1ccc(C[C@@H](C)CN(C)C[C@H](C)CCC#N)cc1 602478774 AFZUCERVXRPYPT-HZPDHXFCSA-N 288.435 3.745 30 20 CHED C=CCCSc1nc(C(F)(F)F)ccc1C(=O)OC 358516469 YSISOOXJBHTEAW-UHFFFAOYSA-N 291.294 3.555 30 20 CHED CCCc1cnc(NC(=O)NCC(C)(C)CCC#N)s1 350787680 QIVFBCPAFAWXJR-UHFFFAOYSA-N 294.424 3.547 30 20 CHED N#Cc1ccc(-c2nc(-c3coc4ccccc34)no2)o1 350527055 MSUGCSCOPFWYFF-UHFFFAOYSA-N 277.239 3.614 30 20 CHED CC(C)(C)[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CS1 449734194 AJHBBKMAUMZYSM-DZGCQCFKSA-N 292.423 3.707 30 20 CHED CCC1(C)CCN(C(=O)NCC(C)(C)CCC#N)CC1 358702423 FPVRQZQLAPVDGV-UHFFFAOYSA-N 279.428 3.538 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1cccc(F)c1)C1CCCC1 539334492 YPGYEDISVDAELP-MSOLQXFVSA-N 291.410 3.974 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccc(OC)cc2)cc1 264930891 AMUSVLFRZXLSRE-HNNXBMFYSA-N 295.382 3.558 30 20 CHED C[C@@H](CC(F)(F)F)NC(=O)C[C@@H](CC#N)c1ccccc1 356761075 GSDXJCZBDJDXJV-WCQYABFASA-N 298.308 3.531 30 20 CHED Cc1nc2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2s1 442856034 QUOWLBHGCHVVFA-MNOVXSKESA-N 257.362 3.709 30 20 CHED CCc1cccc2c1OCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 618571738 UEEBWQHZXDHSDO-KMFMINBZSA-N 284.403 3.745 30 20 CHED C=CC[C@H](C)NC(=O)c1nc2ccccc2cc1Cl 354436903 SCWPANQRIDBITL-JTQLQIEISA-N 274.751 3.583 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)NCc1ccc(F)cc1 358635880 NDSNRXQWAFUNCV-LBPRGKRZSA-N 281.396 3.530 30 20 CHED C=C1CCN(Cc2cccc(OCC)c2OC(F)F)CC1 353334255 UDLPOZKAYBEUJI-UHFFFAOYSA-N 297.345 3.839 30 20 CHED N#Cc1ccc(CNC[C@H]2C[C@H]3C=C[C@H]2C3)cc1Cl 619748550 HZWHRVXBOGBARM-CORIIIEPSA-N 272.779 3.513 30 20 CHED CS[C@@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 264555983 PUQUUDNSFJAQAJ-MNOVXSKESA-N 294.445 3.628 30 20 CHED COc1cc(CN2CCC[C@@](C)(C#N)C2)ccc1SC 612159541 WEYFCPYDXMKFAY-INIZCTEOSA-N 290.432 3.543 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2ccc(CC#N)cc2)ccc1F 611153179 WJVZCMJVIZWBAX-CYBMUJFWSA-N 296.345 3.691 30 20 CHED C=CCSc1ccccc1C(=O)NCCCCOCC 362389517 PDYDPMXGLGOZNP-UHFFFAOYSA-N 293.432 3.511 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(Cl)c(F)c1)OCC 535151010 DNQMGZKDIGEIQN-ZDUSSCGKSA-N 285.746 3.789 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC(C)C)c(OC)c1 455144526 BZXUBUVKCDINMV-UHFFFAOYSA-N 292.379 3.570 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1CCCCCC1 618795362 QJQWPMRGPMUBFO-QGZVFWFLSA-N 297.402 3.568 30 20 CHED C=CCCSCc1nc(-c2ccc(C)c(OC)c2)no1 610999395 NWIBUHDTCRZSSU-UHFFFAOYSA-N 290.388 3.863 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1ncnc2ccsc12 619423611 SXCXEMIFBMRHDT-GFCCVEGCSA-N 297.408 3.918 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1/C=C\c1ccccc1 455529212 YDGMUAGKPJLDAK-CPFIRTDXSA-N 284.403 3.840 30 20 CHED CC(C)(CC#N)CNC(=O)C1=C(c2ccccc2)CCC1 458013824 BXIYHUJPBDJMLU-UHFFFAOYSA-N 282.387 3.680 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1CC1(C#N)CC1 451194546 ZCWZKLAVZGPJNF-IJEWVQPXSA-N 254.377 3.557 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2cccc(C)c2)C1 274358605 VCGABLLVZVUPNQ-KRWDZBQOSA-N 269.388 3.505 30 20 CHED Cc1ccnc(N[C@@H](COCC(C)C)c2ccco2)c1C#N 273377982 SNYWBHQMEHROPW-HNNXBMFYSA-N 299.374 3.681 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 454330134 UUVBAENUZHPMJT-AWEZNQCLSA-N 290.407 3.800 30 20 CHED Cc1ccc2[nH]c([C@H]3CCCN([C@@H](C)CCC#N)C3)nc2c1 276306121 LDEPZMVMTUBMGQ-GJZGRUSLSA-N 296.418 3.743 30 20 CHED Clc1cccc(C#CCNc2cccc3c2OCO3)c1 543863127 KKJYVPYSBJPOEE-UHFFFAOYSA-N 285.730 3.532 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 451056551 BPSWXAXKEUGLRJ-QWHCGFSZSA-N 297.320 3.843 30 20 CHED C[C@@H](NCCCC(F)(F)F)c1ccc(C#N)c(F)c1 271926670 GSQJQKMSYKARJT-SECBINFHSA-N 274.261 3.690 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](CCc1ccccc1)C(F)F 628765860 QJIKZTUQELFJPH-AWEZNQCLSA-N 295.373 3.971 30 20 CHED C=CCCC[C@H](C)N[C@H](COC)Cc1ccccc1 541588315 DBSBXOGVDVCFNT-RDJZCZTQSA-N 261.409 3.579 30 20 CHED CC#CCN(C)C(=O)Nc1ccc2c(ccn2CCC)c1 454729606 MSPVJUJCGGOJJT-UHFFFAOYSA-N 283.375 3.538 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(-c3csnn3)cc2)C1 278886307 YGMMQMPHRCXCSX-RISCZKNCSA-N 284.388 3.699 30 20 CHED COc1ccc2ccc(OC(=O)CC(C)(C)C#N)cc2c1 278569526 QQQXYNFQZGTTKV-UHFFFAOYSA-N 283.327 3.694 30 20 CHED C=CCC[C@H](NC[C@H]1CCCCN(C)C1)c1ccco1 624123432 LUKDRFCSYKMBEW-CVEARBPZSA-N 276.424 3.608 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCO[C@@]2(CCOC2)C1 373368925 IGXYFBCJBWLMLT-BBWFWOEESA-N 283.456 3.663 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@H]1CCC[C@H]1C 469493975 MVQPNHLAPCPKPR-HUUCEWRRSA-N 287.403 3.694 30 20 CHED CCN(Cc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C#N)C1 555334198 PURIZSKQZVLOFN-UKRRQHHQSA-N 262.784 3.854 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@@H](C)c1ccccc1 280815522 MPYUNIZGYMFHJA-AHCXZYCDSA-N 273.420 3.749 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 373349286 SWISXOPEQVOOEG-KRWDZBQOSA-N 283.415 3.517 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1c1ccsc1 281386551 OTWOJOWNEGUDDN-KBPBESRZSA-N 278.421 3.949 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCc1ccc(Cl)cc1 467935039 IAKYZGJALNAPSU-INIZCTEOSA-N 279.811 3.991 30 20 CHED C=CCCCCNC(=O)NCCc1ccc(C=C)cc1 463410799 QRINYKAGESVIFS-UHFFFAOYSA-N 272.392 3.528 30 20 CHED N#CC1(C(=O)Nc2ccc3ccc(Cl)cc3n2)CCCC1 281850816 BDFGYRJDUXYGLL-UHFFFAOYSA-N 299.761 3.911 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 465239248 UCUKJIDIQFTWQH-NSHDSACASA-N 274.364 3.611 30 20 CHED C[C@H](CN(C)Cc1ccc(F)c(C#N)c1)c1ccccc1 468268877 CSLKZVBYXQKVNX-CQSZACIVSA-N 282.362 3.933 30 20 CHED CC(C)N(C(=O)[C@H](C)c1cccc(C#N)c1)C1CCCC1 463383342 XJGUOMQHGDZDSF-CQSZACIVSA-N 284.403 3.841 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cccc(C)c1C 469941321 JTZITOCRFITRDC-UHFFFAOYSA-N 293.370 3.859 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1cnc2ccc(Cl)cc2c1 289578706 HNVCZFMQFUKBMO-HNNXBMFYSA-N 288.734 3.733 30 20 CHED CC1(C)CN(c2ccc(C#N)cn2)[C@H]1c1cccs1 288340378 WGUCPVBXPLBECO-AWEZNQCLSA-N 269.373 3.602 30 20 CHED CC(C)C[C@@H](C)Cn1cc(C#N)c(=O)c2ccccc21 281008120 OGUMOGPUGHXSJX-CYBMUJFWSA-N 268.360 3.555 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 464748774 AOCLJGWQMRMRPO-BLLLJJGKSA-N 290.382 3.931 30 20 CHED Cc1ccncc1CCCN(CCC#N)CC(C)(C)C 289286425 GRWSSPRNEUPRKK-UHFFFAOYSA-N 273.424 3.584 30 20 CHED CCCCCCCCN[C@H](c1cccnc1)c1ncc[nH]1 280132219 PBQZWORPYDJFQJ-MRXNPFEDSA-N 286.423 3.844 30 20 CHED C[C@H](C#N)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 558579821 ZVVNIQFBFKMCGZ-OQPBUACISA-N 297.185 3.720 30 20 CHED CC(C)CN(C(=O)[C@H](C)C(C)(F)F)c1ccc(C#N)cc1 550227463 HFFMMDNBVZNVKY-LBPRGKRZSA-N 294.345 3.839 30 20 CHED C=CC[C@H](C)NCc1ccc2ccc(F)c(F)c2n1 638608127 AWWOIWJXGJIEQD-JTQLQIEISA-N 262.303 3.567 30 20 CHED C=CCOCCCN1C[C@H](C)C[C@H]1c1ccccc1F 470782069 PSXQSFIGEGQYAT-PBHICJAKSA-N 277.383 3.801 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@H]1C(C)C 806005264 WPAAGXYOXMYRLB-HNNXBMFYSA-N 266.429 3.953 30 20 CHED C=CCCCCCCNS(=O)(=O)Cc1ccccc1C 805104822 AFJNJDMWVNSLEK-UHFFFAOYSA-N 295.448 3.551 30 20 CHED CC(C)(C#N)CCCNC(C)(C)c1ccccc1F 292113465 JIRBULLLVHTMSA-UHFFFAOYSA-N 262.372 3.980 30 20 CHED C=CCCCCNc1cc([N+](=O)[O-])ccc1C(C)=O 808018015 GPDZQQSXRKXPSU-UHFFFAOYSA-N 262.309 3.566 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cncc(C(F)(F)F)c1 808821382 GJVVMJUJYKJZLR-ZDUSSCGKSA-N 287.281 3.746 30 20 CHED C=C(Cl)CN(C)[C@@H](CC)c1ccccc1OC 805833989 CKPRJNBFKIWEAZ-ZDUSSCGKSA-N 253.773 3.831 30 20 CHED CC[C@@H](C#N)NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 475668866 CEDWCJUKGKKGPR-OWCLPIDISA-N 294.439 3.560 30 20 CHED C#Cc1ccc(CNC[C@@H](OC)c2ccccc2Cl)cc1 809628746 QGMXNDVEEPNGJG-GOSISDBHSA-N 299.801 3.799 30 20 CHED N#CCSCCCOC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 805516645 KAWMGMSKSBOGKW-RRFJBIMHSA-N 295.448 3.783 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1ccsc1 644949114 OUVBWNQORUGVAJ-NSHDSACASA-N 266.410 3.711 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC(C)(CC(C)C)CC1 567529603 AVQKXDFFMYFQSJ-INIZCTEOSA-N 264.413 3.601 30 20 CHED C=CCCC1(C(=O)NCCc2c[nH]c3c(C)cccc23)CC1 476112271 SHDRZGGNLVJRRI-UHFFFAOYSA-N 296.414 3.881 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OCc2cccc(F)c2)c1 803834113 QWIDXTIQOOMNTG-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CCCc1nsc(N[C@@H](CCC#N)c2ccccc2)n1 292801547 YOJYRRNAGJDMND-ZDUSSCGKSA-N 286.404 3.948 30 20 CHED C=CCC[C@@H](O)CN(C1CC1)[C@H]1CCCc2ccccc21 472750927 LSCDCHIAZVBHPS-MJGOQNOKSA-N 285.431 3.856 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(CC#N)c1 567081687 WNXYNKREHBZJIZ-UKRRQHHQSA-N 270.376 3.908 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(C3CC3)c2)C1 569738494 CZBHCVVYGJECOO-SCLBCKFNSA-N 282.387 3.766 30 20 CHED COc1ccc(C)cc1CSc1nnc(C)c(C)c1C#N 298273756 GAJRWSWBHPZHFU-UHFFFAOYSA-N 299.399 3.574 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-n2cccn2)cc1C 644707784 MYKRRKNARQARJW-UHFFFAOYSA-N 283.375 3.722 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(CC)CC(=C)C 565767074 HDRQPRDPAFLZRG-UHFFFAOYSA-N 274.412 3.524 30 20 CHED C=CCC[C@@H](NCc1ccc(C(F)F)cc1)C(=O)OCC 560152815 YAJHTAYWAMQSQU-CQSZACIVSA-N 297.345 3.612 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@H]1NCc1ccc(C#N)s1 561566035 NFQLECQAIIFDNS-AFAVFJNCSA-N 282.412 3.902 30 20 CHED CC[C@@H](F)COc1c(C#N)cnc2ccc(C)cc12 488282029 JWDVXVVOLBWYNB-GFCCVEGCSA-N 258.296 3.542 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)o1 564556992 BLFBOQMIFOBMQE-QMTHXVAHSA-N 297.314 3.795 30 20 CHED Oc1ccc(C2CCC(=NO[C@H]3CCCCO3)CC2)cc1 814886807 DIADOOPHQQYUGR-RUINGEJQSA-N 289.375 3.949 30 20 CHED C=C(CC)CNC(=O)N(CCC)Cc1ccc(OC)cc1 653269917 XMDAQXQIDYWXNT-UHFFFAOYSA-N 290.407 3.583 30 20 CHED CSCc1cnc(C=NNc2c(C)cccc2F)s1 814904966 IAECJHFCEQYJKO-UHFFFAOYSA-N 295.408 3.900 30 20 CHED N#Cc1ccc(SCc2cccc(F)c2C#N)cc1 488215545 LBXCVSVASNVSKS-UHFFFAOYSA-N 268.316 3.861 30 20 CHED Cc1ccoc1CN(C)Cc1ccc(O[C@H](C)C#N)cc1 814174939 NMHFJZSNVRGBEK-CQSZACIVSA-N 284.359 3.511 30 20 CHED C=CCN(CCOC)[C@@H](CC)c1ccc(F)cc1F 484573393 JDAIGOVVUHTTIU-HNNXBMFYSA-N 269.335 3.550 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 483421857 OVXNKKALBHVTOJ-ROUUACIJSA-N 298.430 3.768 30 20 CHED CCCCN(C)C[C@@H](C)Nc1nc2ccccc2cc1C#N 811848770 SGEVKHCBMWISJP-CQSZACIVSA-N 296.418 3.639 30 20 CHED C=CCCCCCCCNC(=O)N[C@H](C)c1ccc[nH]1 811899226 RNKBTHNULPUMSB-CQSZACIVSA-N 277.412 3.902 30 20 CHED Cc1c(C=NN[C@@H](C)C(C)(C)C)n(C)c2ccccc12 814937283 AVFYMZXYZXORGJ-ZDUSSCGKSA-N 271.408 3.845 30 20 CHED Cc1cccc(CN(C)c2snc(C)c2C#N)c1C 488446609 ZWXWZACCIDVCIB-UHFFFAOYSA-N 271.389 3.576 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(N)cc1O 817922934 AXDCJZMVYKUYDX-UHFFFAOYSA-N 292.423 3.797 30 20 CHED CCC(=NNc1cc(C)ccn1)c1ccc(Cl)c(N)c1 814868473 VEFNCXDMCBEBJD-UHFFFAOYSA-N 288.782 3.852 30 20 CHED C#Cc1ccccc1CC(=O)NCc1cccc(C(C)C)c1 810686388 QUHLAAYHAFCFAJ-UHFFFAOYSA-N 291.394 3.650 30 20 CHED C=CCCCCCS[C@@H](Cc1ccccc1)C(=O)NC 485579390 LUKJKGMEMQUSOL-INIZCTEOSA-N 291.460 3.823 30 20 CHED CCCCNN=Cc1c(Cl)cc(Cl)cc1N(C)C 811638301 WCWGZOFPTNAZOX-UHFFFAOYSA-N 288.222 3.783 30 20 CHED C=CCCCCCCCNc1ccc(C(=O)N(C)C)cn1 811847678 AMIPBFOJGRRJHB-UHFFFAOYSA-N 289.423 3.722 30 20 CHED C=CCC(C)(C)CNC(=O)c1ncoc1-c1ccc(C)cc1 489905109 GMXIHWZZAZDSQO-UHFFFAOYSA-N 298.386 3.982 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCCc2ccccc2C1 578920699 QCRATGUYVYROCB-UHFFFAOYSA-N 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C=CCCCC(=O)O[C@H](C)C(=O)Nc1cc(C)ccc1C 748227376 QXOSMHHNZWZWHQ-CQSZACIVSA-N 289.375 3.530 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(-c2cnc[nH]2)cc1 929455705 LOIDMKGRKAKUMA-GFCCVEGCSA-N 269.348 3.618 30 20 CHED C[C@@H](CC=NNCc1ccc(C#N)cc1)c1ccccc1 755801199 FIYBWRKRYIODQE-HNNXBMFYSA-N 277.371 3.827 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1nc2ccccc2s1 754717520 ULLPIPFDQVIJPT-LLVKDONJSA-N 273.405 3.887 30 20 CHED CC(C)[C@H]1C[C@@H](CC(=O)O[C@H](C)CC(C)(C)C#N)CCO1 851205337 FEZUNOVLCGKFCU-QLFBSQMISA-N 295.423 3.699 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1O2 926590386 BZDLEOVAEDTESU-WSIUPNEHSA-N 285.431 3.719 30 20 CHED C[C@H]1CCCCN1N=Cc1ccc(Br)s1 853379830 KSAOZDDXSCSWAS-VIFPVBQESA-N 287.226 3.719 30 20 CHED C=CCCCCCOC(=O)[C@@H]1CCNc2ccccc21 850028812 DMBQHPBSKUEDSF-OAHLLOKOSA-N 273.376 3.875 30 20 CHED C=CCSCCN[C@@H](C)c1cc(C)c(OC)cc1C 753679913 UHHCKEOHVCIAKG-AWEZNQCLSA-N 279.449 3.882 30 20 CHED Cc1ccc2ncc(C=NNc3ccc(F)cc3C)n2c1 755801821 PLASYZFFVLERGN-UHFFFAOYSA-N 282.322 3.536 30 20 CHED C=CCN(C(=O)C(F)(F)c1cccc(Cl)c1)C(C)C 921003465 VZDNAYLQCPGTLK-UHFFFAOYSA-N 287.737 3.855 30 20 CHED C#C[C@](C)(CC)NC(=O)CCCc1ccc(Cl)cc1 854701284 PCPAKEYFIONCJT-MRXNPFEDSA-N 277.795 3.581 30 20 CHED Cc1cccc([C@H](NCC(C)(C)C#N)c2ccccn2)c1 926874019 LZCBENNIRXRECQ-KRWDZBQOSA-N 279.387 3.619 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1cccc(F)c1 853783747 XZCIGQMWADICMM-VIFPVBQESA-N 273.760 3.638 30 20 CHED C(=NO[C@H]1CCCCO1)c1ccc(N2CCCCC2)s1 755822820 VLCMINOELIYQAX-HNNXBMFYSA-N 294.420 3.616 30 20 CHED CO[C@H](C=NNc1cc(F)c(F)cc1F)C1CCCC1 853308227 BKIBQSGKQKVMBD-CQSZACIVSA-N 286.297 3.707 30 20 CHED C#Cc1cccc(NC(=O)c2sc(C)nc2CC(C)C)c1 755100155 VEQSQHFRJOHBHB-UHFFFAOYSA-N 298.411 3.884 30 20 CHED C#CC[C@H](NC(=O)NCC1(CC)CCC1)c1ccccc1 757035213 QNCINWNDJQUGKR-INIZCTEOSA-N 284.403 3.631 30 20 CHED C=CC[C@@H](N[C@@H](C)C1(Br)CC1)c1ccncc1 925075804 QXKMKHMDITZSAO-WCQYABFASA-N 295.224 3.604 30 20 CHED C=C1CCN(C(=O)/C=C/c2ccc(SC)s2)CC1 859226043 WEFPGPNOVXHJFL-HWKANZROSA-N 279.430 3.662 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccoc1C1CC1 851204601 SDYXPLDXQRUBRB-JTQLQIEISA-N 261.321 3.642 30 20 CHED C[C@H](CC(=O)OCc1ccc(CC#N)cc1)c1ccco1 859815603 QRWCQVLQLICFLJ-CYBMUJFWSA-N 283.327 3.583 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 757875956 CKALCGBMPABKNJ-GOSISDBHSA-N 271.404 3.866 30 20 CHED N#CCOc1cccc(OC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)c1 851087824 DMDDLJUDYHSMTE-FVQHAEBGSA-N 299.370 3.711 30 20 CHED C#CCCOc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851205854 MLMZMENOTNAODJ-AWEZNQCLSA-N 299.370 3.574 30 20 CHED N#C[C@@H]1CCCN(Cc2c(Cl)ccc3cccnc23)C1 932158569 LHKCMFCNJXFPPB-LBPRGKRZSA-N 285.778 3.624 30 20 CHED Cc1cccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)c1 752873340 CSRHZNWCPGHCLE-YVMONPNESA-N 285.274 3.938 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccccc1CC(C)(C)C 930487510 ZXZJQAFOKPPWSN-ZDUSSCGKSA-N 272.392 3.507 30 20 CHED CCO[C@@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)C(C)C 761142394 FTQKTSMSSNXAGO-BBRMVZONSA-N 289.375 3.614 30 20 CHED Cc1ccc(-c2ccc(C=NN3CCCC3=O)s2)cc1 769588132 CYJNQOWYPKQVKE-UHFFFAOYSA-N 284.384 3.680 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)cc1C 765825584 QGRCVLJOBQIEET-AATRIKPKSA-N 286.352 3.959 30 20 CHED C=C1CN(C(=O)Nc2ccc(N(CCC)CCC)cc2)C1 931823390 BMEHKKALQWNRJJ-UHFFFAOYSA-N 287.407 3.717 30 20 CHED C#CCN(C(=O)N[C@H](C)CCC1CC1)C1CCCCC1 769558406 WMRLGRLRTHFCBQ-CQSZACIVSA-N 276.424 3.543 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(CC)ccc2O)c1 769763137 ROSNZGTUULUUNH-UHFFFAOYSA-N 293.366 3.603 30 20 CHED C#CCCCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 764156575 SIZRAZJHVDPLMC-UHFFFAOYSA-N 276.336 3.597 30 20 CHED COc1ccccc1[C@H](C)N(CCCC(C)(C)C#N)OC 932547695 PYAKHRBJXKHFIQ-AWEZNQCLSA-N 290.407 3.950 30 20 CHED Cc1cc(C)c(O)c(CN2CCCC(C)(C)[C@@H]2C#N)c1 766115369 URYUZKWATACYPB-HNNXBMFYSA-N 272.392 3.523 30 20 CHED COc1cc(C)sc1C(=O)OCCCCC(C)(C)C#N 768699965 YDVGWZCHBXXWOS-UHFFFAOYSA-N 295.404 3.942 30 20 CHED CCC1(C(=O)OCc2ccc(C#N)cc2OC)CCCC1 766906426 QMEHXYOLJPHHQU-UHFFFAOYSA-N 287.359 3.580 30 20 CHED C[C@@H](CC(=O)OCC(C)(C)CCC#N)c1ccco1 860735240 FBYSFCBDNIPRBY-LBPRGKRZSA-N 263.337 3.646 30 20 CHED CCCCCCCCCNC(=O)c1cc(C)nnc1C 767222925 NOSXSYWBGYMQAD-UHFFFAOYSA-N 277.412 3.574 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C(F)=C1CCCC1 763015210 WXJICUGBMLQFMI-UHFFFAOYSA-N 291.297 3.574 30 20 CHED CON=Cc1c(C)nn(Cc2ccccc2Cl)c1Cl 767493180 XYLGNZJDXZVBQD-UHFFFAOYSA-N 298.173 3.527 30 20 CHED Cc1ccc(C=NNc2ccccc2Br)nc1 761805271 YKWKKHLBQOZDQE-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=CCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(C)C 766243408 IYBGWGCJDRRBMB-UHFFFAOYSA-N 291.351 3.640 30 20 CHED C#CCCCCCC(=O)Nc1cccc2ncccc12 779732356 TZYGKTQQWWGVLJ-UHFFFAOYSA-N 266.344 3.757 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCc2ccc(Cl)cc21 875899465 RUDSCPQVWPDQLX-AWEZNQCLSA-N 278.783 3.545 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCc1cccc2ccccc12 875815038 WRUHVWQLTXGGTD-INIZCTEOSA-N 280.371 3.533 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(OC)c1F 770063922 KNUQYZXOLVMCMD-UHFFFAOYSA-N 263.312 3.541 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1F 776726517 KHEYBYJCULTBOE-VOTSOKGWSA-N 287.240 3.872 30 20 CHED Cc1c(Cl)cccc1C=Nn1c(S)nnc1C(C)C 872332139 DQSQMPOZZBOFDU-UHFFFAOYSA-N 294.811 3.534 30 20 CHED Cc1cc(C#N)ccc1CSc1ccc(Cl)nn1 776801014 FILCVPQJVZMKPH-UHFFFAOYSA-N 275.764 3.602 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3ccc(O)c(C)c3)n2c1 771858215 HSWYZWRFHLGNEQ-ALCCZGGFSA-N 292.338 3.553 30 20 CHED C[C@@H](CCC#N)CNc1ccc(OC(F)(F)F)cc1 876819589 JIVZRKSXJKSQBN-JTQLQIEISA-N 272.270 3.937 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 879019552 VPHKYCPPTIBOTK-CJNGLKHVSA-N 257.377 3.808 30 20 CHED CC(=O)[C@](C#N)(CCN1[C@H](C)CCC[C@H]1C)c1ccccc1 878088574 SNZFBPNMRUZIHF-GPMSIDNRSA-N 298.430 3.690 30 20 CHED N#C[C@@H](OC(=O)c1ccc(F)c(F)c1)C1CCCCC1 776362622 DGJHLMUKYZWJEX-CQSZACIVSA-N 279.286 3.594 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 779832418 MSYOPBITCVXOJP-JSRQGNBESA-N 273.420 3.511 30 20 CHED CCCOc1ccc(C=NOCCSCC)cc1OC 778025686 ZLVNOXSDTMVCBC-UHFFFAOYSA-N 297.420 3.588 30 20 CHED CCOCCON=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 774430647 CAGXEYCQKKYXJN-GOEBONIOSA-N 275.392 3.999 30 20 CHED C#CCCN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 775136306 GEUVARPUTYHCEI-LBPRGKRZSA-N 270.401 3.792 30 20 CHED C=C1CCC(C(=O)OCc2cccc3c2CCOC3)CC1 885649788 KEVWEIIGGFEAAH-UHFFFAOYSA-N 286.371 3.549 30 20 CHED C#C[C@H](N[C@@H](C)c1cccc(Cl)c1Cl)[C@H]1CCCO1 775572642 BYXFLLGNQNPRBC-LEWSCRJBSA-N 298.213 3.825 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCC(C)(C)C3)[nH]c12 781808525 SPLTYRBEPDWEOO-QWHCGFSZSA-N 295.386 3.874 30 20 CHED C=CCCCCCOC(=O)Cc1cccc(OC)c1 781923987 IZKZENBNYCFPSS-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)c1cccc(C)c1C 1124951616 JMTHRTIEMHGKJL-UHFFFAOYSA-N 296.345 3.981 30 20 CHED CC(C)OCCNN=C1CCC2(CCCCC2)CC1 786036557 LBFMTQIZALXOKI-UHFFFAOYSA-N 266.429 3.882 30 20 CHED N#Cc1ccc(CC(=O)OCC2CCCCCC2)cc1 781482978 SQOMQZIREBBPJL-UHFFFAOYSA-N 271.360 3.614 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cn(C)nc2C2CC2)cc1 899340578 FWPLMWAZUADNSX-FLIBITNWSA-N 296.370 3.592 30 20 CHED C#CCCCCCC(=O)Nc1cc(C(F)(F)F)ccn1 780762274 CWVVTCDEMYZZGY-UHFFFAOYSA-N 284.281 3.623 30 20 CHED C=CCCC(=O)O[C@H](C)c1nc(C2CC2)cs1 781184346 OXTKIDUKEZGSLU-SECBINFHSA-N 251.351 3.591 30 20 CHED Cc1cc(C#N)nc(NCc2cnccc2C(C)(C)C)c1 894193443 FJZAFINPBOUXOJ-UHFFFAOYSA-N 280.375 3.566 30 20 CHED CC1(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCCC1 790506100 BWRVDBVTGFVSCR-UHFFFAOYSA-N 295.304 3.506 30 20 CHED COc1ccc(C(C)=NOCCSC)c2ccccc12 794576563 IWTOZLYXVKZHHM-UHFFFAOYSA-N 289.400 3.952 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCc2ccccc21 35149230 VTZYMAKVCJKGBR-MRXNPFEDSA-N 252.292 3.797 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1C(F)(F)F 132864804 AWICRWWIXNBBNL-UHFFFAOYSA-N 284.281 3.630 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc2c(c1)CCCO2 1138717878 VCVDJOCRFWZUBU-UHFFFAOYSA-N 292.382 3.515 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@@H]1CCF 794935815 KLOLGNLYPGFMRQ-LLVKDONJSA-N 264.348 3.528 30 20 CHED FCC[C@@H]1CCCC1=NNc1cc(Cl)ccn1 794928278 VAGHFSNVDGLSIC-VIFPVBQESA-N 255.724 3.663 30 20 CHED C=CCCCCC[C@H](C)NCc1ccnc(OC)c1 793523504 IQYUHSNYDNMVKH-AWEZNQCLSA-N 262.397 3.705 30 20 CHED CC(C)Cc1ccc(/C=C2\CCc3nn(C)cc3C2=O)cc1 794964556 DSMDGXPRKZWAQT-LFIBNONCSA-N 294.398 3.831 30 20 CHED C#CC(C)(C)NC(=O)[C@@H](C)c1cccc(CC(C)C)c1 796443351 RSCMNXDZUSHDRZ-AWEZNQCLSA-N 271.404 3.517 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2scnc2C)c(O)c1 799894639 AESDMQMWKOAEQA-SNAWJCMRSA-N 273.357 3.670 30 20 CHED Fc1cccc(NN=C2CC3(CCC3)Oc3ccccc32)n1 795008096 VLRNSFGDVBFFIK-UHFFFAOYSA-N 297.333 3.742 30 20 CHED CC(=NNc1ncc(F)cn1)[C@@H](C)c1ccc(Cl)cc1 794523535 IQYDNDNTKBUXFG-SECBINFHSA-N 292.745 3.861 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)o1)c1csc2ccccc12 794296833 PCADFLQUJLLVTC-JTQLQIEISA-N 296.351 3.857 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C[C@]1(C)CCCS1 792995870 NQMSVAOGHDCSQK-ZDUSSCGKSA-N 279.365 3.587 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)O[C@H](C#N)C(C)(C)C 797270100 RFRXOQDNZAVVBJ-CZUORRHYSA-N 298.386 3.759 30 20 CHED C/C(=C/Cl)CSCCOc1ccc(C#N)cc1 797815583 UMOCTNCHKDRQCP-FLIBITNWSA-N 267.781 3.813 30 20 CHED CN(CCc1cccs1)c1nc(C(C)(C)C)ccc1C#N 1148625670 XGOSPZRVPNDHER-UHFFFAOYSA-N 299.443 3.991 30 20 CHED CCCc1nc(COc2ccc(C#N)cc2F)cs1 134311704 YCFUAEHPWXWYOT-UHFFFAOYSA-N 276.336 3.685 30 20 CHED CCC(=O)c1ccc(Oc2cc(C)c(C#N)cn2)cc1 1306914416 GTHBIDLZRMCDNY-UHFFFAOYSA-N 266.300 3.647 30 20 CHED Cc1nc(C#N)cc(NCC[C@@H]2C[C@H](C)CC(C)(C)C2)n1 1163190632 BMRQCXKDMJLGAU-GXTWGEPZSA-N 286.423 3.921 30 20 CHED O=C(CC#Cc1ccccc1)NCCCCc1ccccc1 1319307997 MLEAZFFHICSBDU-UHFFFAOYSA-N 291.394 3.567 30 20 CHED CCc1nc(C#N)cc(N[C@@H](c2ccc(F)cc2)C(C)C)n1 1170064234 ZBOHUPFKXKRKGK-QGZVFWFLSA-N 298.365 3.859 30 20 CHED C=CCCCOC(=O)Cc1cccc2ccccc12 735523874 SVKBTJNJUORARQ-UHFFFAOYSA-N 254.329 3.892 30 20 CHED COc1cc(/C=C/c2cc(C#N)ccn2)ccc1SC 1321003521 KTCMIWKILHQSRB-HWKANZROSA-N 282.368 3.854 30 20 CHED Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1C#N 1327030842 DKLABKQFOQZBJD-GDBMZVCRSA-N 282.387 3.519 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1ccc(C#N)c(F)c1 191892710 YKKKVALMFPPBIK-CYBMUJFWSA-N 268.335 3.890 30 20 CHED C=CCn1cnnc1S[C@@H](CC)c1ccc(F)cc1F 1323830978 JVXJXJVXOJTYPH-ZDUSSCGKSA-N 295.358 3.986 30 20 CHED Cc1ccc(C#N)c(NCC[C@H](C)c2ccccc2)n1 61910803 DWEKKEHYSKVPLH-ZDUSSCGKSA-N 265.360 3.867 30 20 CHED CC1CC(C#N)(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)C1 1329543661 WZPNGWJUJGWXJX-NSWWBONSSA-N 282.387 3.536 30 20 CHED C[C@H](c1nnc(COc2ccccc2C#N)o1)C(C)(C)C 1326092871 NIIQRLWGXMUVGD-LLVKDONJSA-N 285.347 3.670 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1scnc1C 1189567340 PWKLCCARKOOQRC-UHFFFAOYSA-N 278.764 3.864 30 20 CHED CCC(C)(C)[C@H](C)NCc1cccc(OCC#N)c1 695105038 DJARCQGKPQKBBD-ZDUSSCGKSA-N 260.381 3.503 30 20 CHED C[C@H](Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 1322584472 BTZWHZJGABBVHC-CYBMUJFWSA-N 289.338 3.954 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)Nc1cccc(C#N)n1 573373564 FCGIRFCMNINTCW-ZDUSSCGKSA-N 271.364 3.664 30 20 CHED COc1ccc(CNc2ccccc2Cl)cc1C#N 87822365 DTNMSIUGIGTHCK-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=C(C)COCCN[C@H](C)c1ccccc1C(F)(F)F 90450881 RLBYFPBKWUEMIU-GFCCVEGCSA-N 287.325 3.949 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@@H]1CCCc2ccccc21 790652325 QGUMCGDCYBWIHV-MRXNPFEDSA-N 269.388 3.572 30 20 CHED CC(C)(CC1CCCCCC1)NC(=O)c1cc(C#N)ccn1 1269337237 OBXAMKCXAOLCIZ-UHFFFAOYSA-N 299.418 3.822 30 20 CHED Cc1cc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c(C)cc1Cl 1342679578 FDBMTXKDQDNHFD-NWDGAFQWSA-N 277.751 3.806 30 20 CHED C=C(C)CCC(=O)OCc1cccc2cccnc12 1344268551 QZHYRPCXOBCRIS-UHFFFAOYSA-N 255.317 3.634 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)O[C@@H]1CC[C@H](C#N)C1 1342576867 YOLNDXBJHBPGHQ-WDEREUQCSA-N 292.404 3.598 30 20 CHED C[C@@H](C(=O)O[C@H](CC#N)c1ccco1)C1CCCC1 1345982241 PGFMBHWBULHIQH-BXUZGUMPSA-N 261.321 3.604 30 20 CHED COc1cc(O)ccc1/C=C1/C(=O)c2ccccc2[C@H]1C 1346995763 JQKRGUNPGOWQCR-LKBVRNOZSA-N 280.323 3.784 30 20 CHED CC(C)(C#N)COC(=O)c1cc2c(Cl)cncc2s1 1344072901 QWDCHEGXJSEPGY-UHFFFAOYSA-N 294.763 3.656 30 20 CHED CCCCc1cc(Sc2cccc(C#N)c2)ncn1 1458238487 VQMLNJNECVOJSJ-UHFFFAOYSA-N 269.373 3.842 30 20 CHED CCCN(c1ncc(Cl)c(C)c1C#N)C(C)C 1458458188 UHDYVRZCVNGFAY-UHFFFAOYSA-N 251.761 3.540 30 20 CHED Cc1nc(C(=O)NC2CC(C)(C)CC(C)(C)C2)ccc1C#N 1520312155 XULWKNFFEAZCTE-UHFFFAOYSA-N 299.418 3.596 30 20 CHED CCCCCCCCCN(C)Cc1nncs1 929329879 XWZIXVCAIYXTNZ-UHFFFAOYSA-N 255.431 3.721 30 20 CHED C[C@H]1C[C@@H](C(=O)O[C@@H]2CCC[C@H](C#N)C2)CC[C@H]1C 1460794883 GPZZGKVALZHTEP-CAEXGNQWSA-N 263.381 3.684 30 20 CHED C[C@@H](CCC#N)CN[C@H](CCC(=O)O)CC1CCCCC1 1604130674 RCWRVGFOSCYRAU-GOEBONIOSA-N 294.439 3.720 30 20 CHED Cc1ccc2oc(C(=O)Nc3cc(C)c(C#N)cn3)cc2c1 1461216902 ISRZSBJNIVDVFY-UHFFFAOYSA-N 291.310 3.569 30 20 CHED Cc1cscc1NC(=O)Nc1nc(Cl)c(C#N)s1 1476724012 NZBYDHAEBLKPED-UHFFFAOYSA-N 298.780 3.682 30 20 CHED Cc1cc(=NC[C@@H](c2ccccc2)C(C)C)c(C#N)c[nH]1 1611779761 XLUSNGHDRXNIKV-QGZVFWFLSA-N 279.387 3.535 30 20 CHED O=C1/C(=C/c2ccoc2C(=O)O)[C@H]2CCCc3cccc1c32 1610881785 GHMQWKKWGQOTRK-ZMTLZGASSA-N 294.306 3.678 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](C#N)C1 1631058265 VYVJCUBZVKNNLL-OWCLPIDISA-N 291.439 3.536 30 20 CHED CCN(Cc1ccc(Cl)cc1)c1cc(C)c(C#N)cn1 1639363251 CWZHECAYYACPMD-UHFFFAOYSA-N 285.778 3.942 30 20 CHED C=C(Cl)CN([C@@H](C)COC)[C@H]1CCc2ccccc21 1644046620 NHPLROUEKSAIEG-BBRMVZONSA-N 279.811 3.763 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc2ccccc2n1CCC(C)C 1587354034 HIUPYJXHVKCKOJ-ZDUSSCGKSA-N 298.390 3.571 30 20 CHED COc1ccc([C@@H](C)Sc2cccc(C#N)n2)cc1 1655036368 VWGZYJPEUKCSPE-LLVKDONJSA-N 270.357 3.815 30 20 CHED C[C@@H]1Cc2cc(Nc3ncc(C#N)cc3Cl)ccc2O1 1655907618 WJLHJTMAOCAMQL-SECBINFHSA-N 285.734 3.674 30 20 CHED C[C@@H](Sc1nc(C(=O)O)cs1)c1ccc(C#N)cc1 1593680094 SOYATUNFNQJOMF-MRVPVSSYSA-N 290.369 3.566 30 20 CHED Cc1cccc2[nH]c(CNCc3cccc(C#N)c3)cc12 1660879577 DVUNBUCCDKTZEJ-UHFFFAOYSA-N 275.355 3.638 30 20 CHED C=C(C)CCCN1C[C@H](C(=O)O)C[C@H](c2ccccc2)C1 1776138659 VIEYPFAEJFEARH-DLBZAZTESA-N 287.403 3.533 30 20 CHED CC(=NNc1ccc(C(=O)O)nc1)c1cc(C)c(C)cc1C 1776069090 PKJGQDNTGJZHLB-UHFFFAOYSA-N 297.358 3.541 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)s1 18065731 CSWCPPOGOCRWNE-WEVVVXLNSA-N 286.352 3.905 30 20 CHED C#C[C@H](C)OC(=O)c1cc(-c2ccccn2)ccc1Cl 163587958 GKWJZGBXWHNFSG-NSHDSACASA-N 285.730 3.581 30 20 CHED C=CCCNC1CC(c2ccc(Br)cc2)C1 168558597 WMVPBCGAWJUYBY-UHFFFAOYSA-N 280.209 3.861 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](c1ccco1)N1CCCC1 152288686 OOZIKPIWSDVNBW-CVEARBPZSA-N 276.424 3.751 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ccccc1-c1ccccc1 153504231 MXGAFCIPUOGXRC-ZDUSSCGKSA-N 279.343 3.777 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cccc(F)c1 153629879 FXXYJAKGVLYACS-UHFFFAOYSA-N 278.371 3.714 30 20 CHED C=CCC[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1 154225709 MAVWJTLDHDXDQK-GOSISDBHSA-N 295.382 3.758 30 20 CHED N#Cc1cccc(CNCc2c(Cl)cncc2Cl)c1 1660880316 YMBZTHSLFCJIFF-UHFFFAOYSA-N 292.169 3.550 30 20 CHED C=CCCCCCCNC(=O)c1ccc(Cl)nc1C 805220527 VIINPZPISKLPOK-UHFFFAOYSA-N 280.799 3.910 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)C(C)C 120696952 MMUWDKXACQIFOM-CABCVRRESA-N 264.413 3.647 30 20 CHED C#CCCCCNCc1c(CC)oc2ccccc12 229742747 GRTMRBMVWYVDGF-UHFFFAOYSA-N 255.361 3.888 30 20 CHED CCOc1ccc(Oc2nccc(C#N)c2Cl)cc1 233811720 AMDPKXIKCFDLSY-UHFFFAOYSA-N 274.707 3.798 30 20 CHED Cc1ccc(C(=O)N(C)c2ccccc2C#N)c(Cl)c1 234277816 NFCYHLZNIGRNHY-UHFFFAOYSA-N 284.746 3.797 30 20 CHED COc1ccccc1COc1ccc(C#N)c(Cl)c1 148701563 ACNGJEWJEZTUMH-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=C(C)COCCN[C@@H](CC(C)C)c1ccccc1 163509436 YSEVGCNAIWKBDV-KRWDZBQOSA-N 261.409 3.956 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc2c1CCCC2 44764740 KHRPVAZXEVOIJZ-UHFFFAOYSA-N 270.376 3.834 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1nc(C(C)C)ncc1Cl 179797692 ORJMMQQHINYXRA-LLVKDONJSA-N 295.814 3.728 30 20 CHED N#Cc1ccc(CC(=O)Nc2cc(Cl)ccc2F)cc1 70158622 RJKKBLFZHHHJGH-UHFFFAOYSA-N 288.709 3.532 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2cc(C)sc2C)n1 308261802 MVDYIMIIZVTKLM-VIFPVBQESA-N 272.377 3.508 30 20 CHED C[C@H]1CCCC[C@H]1CNCc1ccc(C#N)c(F)c1 404111931 JXMFBWMHTDHWKD-WFASDCNBSA-N 260.356 3.613 30 20 CHED CCN(CCCOc1ccc(C#N)cc1)Cc1ccccc1 309635043 LZPFPXWUZVLXPK-UHFFFAOYSA-N 294.398 3.849 30 20 CHED Cc1nc(NC[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)cc1C#N 311753861 VKLSNATWHBCSQE-GMXVVIOVSA-N 275.783 3.763 30 20 CHED Cc1cc(CN(CCC#N)C(C)C)ccc1Cl 543744144 DGJYSPBYHQITQO-UHFFFAOYSA-N 250.773 3.773 30 20 CHED CC(C)(CC#N)CNC(=O)CCCC1CCCCC1 458035198 WPRXUZJQLRUDJS-UHFFFAOYSA-N 264.413 3.793 30 20 CHED C=C(CNCc1ccc(F)c(C)c1)c1ccccc1 591695435 WVHSHVXPWQWWCW-UHFFFAOYSA-N 255.336 3.937 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccoc1Cl 695702784 CNJYDFAYCFRFNJ-UHFFFAOYSA-N 281.098 3.710 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](F)C(C)C 791866514 SNNXRWCPGWMVJL-OAHLLOKOSA-N 263.356 3.585 30 20 CHED C=CCNc1nnc(SCc2cccc(C)c2)s1 5785861 CMOYGTFJVKKZKI-UHFFFAOYSA-N 277.418 3.737 30 20 CHED CCc1cc(C(=O)Nc2cccc(C#N)c2)sc1C 7265485 FBYWPIVUPGHCKJ-UHFFFAOYSA-N 270.357 3.743 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 35125023 JJJZAFVXBXNRCB-XGICHPGQSA-N 269.319 3.788 30 20 CHED Cc1ccc(SCC(=O)c2ccc(C#N)cc2)cc1 35224881 QBSRVRKEUCEFRC-UHFFFAOYSA-N 267.353 3.842 30 20 CHED CCOc1cccc(CNc2cccc(C#N)c2)c1 37678210 PXPDANKDTFNUNW-UHFFFAOYSA-N 252.317 3.569 30 20 CHED C[C@@H]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C#N 42804406 NDWPVLVENGBZSV-VXGBXAGGSA-N 273.336 3.705 30 20 CHED C[C@@H]1CCCC[C@@H]1CNCc1ccc(C#N)cc1F 42862840 RLWPUIVMRUFGDH-TZMCWYRMSA-N 260.356 3.613 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1CCCC1 47013810 IJVHGILJXXVENU-UHFFFAOYSA-N 299.418 3.670 30 20 CHED C=CCOc1cccc(NC(=O)c2sccc2C)c1 55714339 SAIQUXIBESNHLG-UHFFFAOYSA-N 273.357 3.874 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1 56515772 MURQGAJIVLWMSY-MRXNPFEDSA-N 295.317 3.506 30 20 CHED CCOc1cc(NC(=O)c2cccc(CC#N)c2)ccc1C 66525260 LHBRAKWOWPSMBG-UHFFFAOYSA-N 294.354 3.712 30 20 CHED CC(C)=C/C(O)=N/S(=O)(=O)c1c(C)c(C)cc(C)c1C 69603732 OIMCHEAGAAVDET-UHFFFAOYSA-N 295.404 3.532 30 20 CHED C=CCn1c(C)nnc1SCc1ccc2ccccc2n1 72847650 PEKUTJCHIINHDP-UHFFFAOYSA-N 296.399 3.613 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C)C[C@@H]2CC)cc1 73326047 CHSJNCRSOIUPFE-HIFRSBDPSA-N 273.376 3.512 30 20 CHED CC[C@H](Nc1ccc(C#N)cn1)c1cc(F)ccc1F 77232949 FSPTXWDSRUOQLL-AWEZNQCLSA-N 273.286 3.795 30 20 CHED CCS[C@H]1CC[C@@H](N(C)c2ncc(C#N)cc2Cl)C1 78579536 LUBQHUQRDSVFNJ-NEPJUHHUSA-N 295.839 3.717 30 20 CHED Cc1cc(NCC2(CC#N)CC2)ccc1Br 83853562 FCCSBDKEADHOJA-UHFFFAOYSA-N 279.181 3.863 30 20 CHED COc1cc(F)ccc1NCCCC(C)(C)C#N 87597829 PZYNVZXUWUHYSE-UHFFFAOYSA-N 250.317 3.576 30 20 CHED Cc1ncc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)s1 90418505 SWGZEARQLFRUMS-QWRGUYRKSA-N 271.389 3.735 30 20 CHED CC(=O)Nc1ccccc1CNc1ccc(Cl)c(C#N)c1 90961620 CPOGMYGQLGHXLG-UHFFFAOYSA-N 299.761 3.782 30 20 CHED CCN(C(=O)[C@@H](C)CSC)c1ccc(C#N)c(Cl)c1 91206253 GEFCOQDXBTWNDV-JTQLQIEISA-N 296.823 3.564 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(C(F)(F)F)ccc1C 91480089 GVNONIHWCNMFRM-VIFPVBQESA-N 270.254 3.502 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccccc2)c1 96297722 LZBNFKMJNPRXGU-QXMHVHEDSA-N 252.313 3.981 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 103078723 KVPHVQHIVBKFEK-TZMCWYRMSA-N 298.308 3.531 30 20 CHED C=CCCC(=O)NC[C@H](C)CSc1ccccc1OC 103421592 SDCXBJLLMPNWBQ-ZDUSSCGKSA-N 293.432 3.506 30 20 CHED Cc1oc(-c2cccs2)nc1CO/N=C(\N)CC(C)C 109317067 SRGQZRSLGHQMFR-UHFFFAOYSA-N 293.392 3.546 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C#N)ccc1C 112803041 GBJVLISFSJDQSW-MRXNPFEDSA-N 286.375 3.543 30 20 CHED C/C(=C/c1ccccc1)CNCc1cccc(OCC#N)c1 113346880 NABLSYQFEIYDOV-VBKFSLOCSA-N 292.382 3.782 30 20 CHED C=CCSCC(=O)c1cc(C)n(CC(F)(F)F)c1C 114757324 LLKHIQZFPYVXJL-UHFFFAOYSA-N 291.338 3.769 30 20 CHED C=CC[C@@H](C)NCc1cc(Br)cs1 116926491 DMVHKJWMJXPYGD-MRVPVSSYSA-N 260.200 3.565 30 20 CHED CCS[C@H]1CC[C@H](N(C)CCC(C)(C)C#N)C1 119697943 VOZPYCUZPAKQDR-STQMWFEESA-N 254.443 3.532 30 20 CHED CN(C(=O)Nc1ccc(F)cc1C#N)C1CCCCCC1 119823864 HXRFNBWSFXCKCG-UHFFFAOYSA-N 289.354 3.884 30 20 CHED C=CCC[C@H](NC[C@@H](c1cccs1)N(C)C)C1CC1 119844450 VYVDRDUSFYIRGL-GJZGRUSLSA-N 278.465 3.685 30 20 CHED CC(C)N(C(=O)CCc1ccc(C#N)cc1)c1ccccc1 119869295 SBRRZCLZXWZNCJ-UHFFFAOYSA-N 292.382 3.932 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccccc2)cc1 121000511 ZFLMZRDBTKTVPR-UHFFFAOYSA-N 250.345 3.699 30 20 CHED C=C[C@H](C)NCc1csc(-c2ccc(F)cc2)n1 123203616 NMEZQEVLJRZRDM-JTQLQIEISA-N 262.353 3.613 30 20 CHED O=C(/C=C/c1c[nH]nc1-c1ccccc1F)c1cccnc1 126143701 GXSQAYNAFLTYAO-BQYQJAHWSA-N 293.301 3.507 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)CCc2ccc(C#N)cc2)C1 129350840 AEIIEJLOARLRAV-YOEHRIQHSA-N 284.403 3.576 30 20 CHED Cc1noc(C)c1[C@H](C)C/N=C/c1cc(Cl)ccc1O 129584397 PQQXXIXFKKSIAE-YFEDRJBBSA-N 292.766 3.873 30 20 CHED CCCCN(CCCC)Cc1cc(C#N)ccc1OC 130394864 AYFBMQUOPFSXEW-UHFFFAOYSA-N 274.408 3.969 30 20 CHED C=CCC[C@H](C)Nc1cccc(C(=O)N(CC)CC)c1 130627719 WCIBCPUAGXKKHK-AWEZNQCLSA-N 274.408 3.935 30 20 CHED Cc1cccc([C@H](C)C(=O)N(C)Cc2cccc(C#N)c2)c1 133248518 UOFGPHNYXJWJLD-HNNXBMFYSA-N 292.382 3.629 30 20 CHED C=C(CN[C@H](C)c1nc(C)cs1)c1ccccc1 134366438 JNUHBDRUAYTGBR-CYBMUJFWSA-N 258.390 3.816 30 20 CHED COc1cc(C)cc2c1OC/C(=C\c1ccsc1)C2=O 147727510 NFPDZYJMBYQNKY-KPKJPENVSA-N 286.352 3.724 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)CCc2ccc(C#N)cc2)C1 150770466 NRFPFIATOXGACJ-GJZGRUSLSA-N 284.403 3.528 30 20 CHED CCN(C(=O)c1ccc(SC)cc1)c1ccc(C#N)cc1 152022393 QXWCYUDXLSXTFA-UHFFFAOYSA-N 296.395 3.947 30 20 CHED CCCCSCCC(=O)N(CC)c1ccc(C#N)cc1 152178904 VFTXXDIJRWDPFR-UHFFFAOYSA-N 290.432 3.835 30 20 CHED CC#CCCSc1nc(C)cc(C(F)(F)F)c1C#N 155117279 FCXPCFSNXZOYDU-UHFFFAOYSA-N 284.306 3.786 30 20 CHED CCN(C[C@H](C)C#N)[C@@H]1CCc2c(Cl)cccc21 155312080 RQJLSIDHTAYIQQ-IAQYHMDHSA-N 262.784 3.809 30 20 CHED COc1ccc([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)cc1 155335960 KKVJXIOCKZULDO-GOSISDBHSA-N 292.382 3.556 30 20 CHED Cc1ccc(C#N)c(NC[C@H](C)Cc2cccs2)n1 161573977 RFYBAOFPFGTLEG-LLVKDONJSA-N 271.389 3.614 30 20 CHED C=CCN(C)C(=O)c1ccc(COc2ccccc2)cc1 161653143 ARQJRIOFYBTUMF-UHFFFAOYSA-N 281.355 3.524 30 20 CHED CN(Cc1ccc(C#N)cc1Cl)CC(C)(C)C 162895008 NZAZQAYQKUEENZ-UHFFFAOYSA-N 250.773 3.690 30 20 CHED N#Cc1ccc(COc2cccc([N+](=O)[O-])c2)c(Cl)c1 162984785 SKNLFDYYRCSLPR-UHFFFAOYSA-N 288.690 3.699 30 20 CHED Cc1ncsc1CN(C)[C@H](C)c1ccc(C#N)cc1 172398391 QPWQPJRGEWIKJJ-GFCCVEGCSA-N 271.389 3.516 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2ccc(C#N)s2)cc1 176404535 IQFVPSVGFNXAIB-MDZDMXLPSA-N 282.368 3.582 30 20 CHED N#Cc1ccc(CNCc2coc3ccccc23)c(F)c1 178790907 WOYYAMFUPFJZSN-UHFFFAOYSA-N 280.302 3.733 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cccc2nccn12 178944041 YRYFIMMTYJNMJM-BQYQJAHWSA-N 292.338 3.547 30 20 CHED CC#CCNC(=O)c1sc2cc(Cl)ccc2c1Cl 179430444 WJQIKAPSVLUBKB-UHFFFAOYSA-N 298.194 3.961 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C)c(C)cc1Cl 180808892 HUMYCKNDWDQZIS-NSHDSACASA-N 251.757 3.651 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]2CCC[C@@H]21 181374076 DDUYHJXXZOELLG-ZNMIVQPWSA-N 264.413 3.705 30 20 CHED C[C@H](NCCCCN1CCC[C@@H](C)C1)c1cccc(C#N)c1 181511549 JHXGMLREGDUDCP-SJORKVTESA-N 299.462 3.721 30 20 CHED CC[C@@H](NCc1ccc(F)cc1C#N)c1nc(C)cs1 184391961 QZQMYSIRVCMNIH-CQSZACIVSA-N 289.379 3.703 30 20 CHED CC#CCCCC(=O)Nc1cccc(OC(F)(F)F)c1 185000807 RSXYDOQCWPUYQY-UHFFFAOYSA-N 285.265 3.717 30 20 CHED CCN(CC)Cc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 185785360 USVNPJLEWHBFIF-APWZRJJASA-N 299.462 3.700 30 20 CHED C[C@H](NC(C)(C)CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 185827428 AUCZOFNQWWTKMJ-XYJFISCASA-N 299.462 3.788 30 20 CHED CC#CCCCC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 186019019 YLLHQJJYSXERLU-NSHDSACASA-N 277.330 3.663 30 20 CHED C=C(C)[C@@H](NC(=O)COC(C)(C)C)c1ccc(F)c(F)c1 186047518 SFAPWGCFJYDEND-OAHLLOKOSA-N 297.345 3.513 30 20 CHED N#CCc1ccc(NC(=O)c2cc3sccc3[nH]2)cc1 188458555 OZVYQAWFTBHKFB-UHFFFAOYSA-N 281.340 3.548 30 20 CHED N#Cc1ccc(CNc2cc(F)cc(F)c2)cc1F 190321163 NJUKFDCWCKNHFE-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C#CCCCC(=O)Nc1cccc(SC(F)F)c1 192106439 CQSJPQNZWXYWCB-UHFFFAOYSA-N 269.316 3.743 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1CCCO[C@H]1c1ccccc1 194313804 SFJMXLSMSYHVHD-AVDJQCOYSA-N 295.382 3.979 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2ccc(C)s2)c1 207478899 FVANRJRKQIHJEQ-VURMDHGXSA-N 274.341 3.667 30 20 CHED Cc1cccc(NCc2cccc(C#N)c2F)c1C 223725556 IWUDNMAKXXHSPA-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C#CCCCCN[C@@H]1C[C@@H](OCC)C12CCCCC2 224747141 PNEZQCRDEFNZEP-HZPDHXFCSA-N 263.425 3.507 30 20 CHED CC(C)[C@@H](C)NCc1cccc(OCCCC#N)c1 236665526 SHAZLGSHKMLCQX-CQSZACIVSA-N 260.381 3.503 30 20 CHED C=C[C@@H](C)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 237435827 WYSGSIVZDNYJRR-LLVKDONJSA-N 295.308 3.555 30 20 CHED C=CCCCC(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 246695160 DXFMTAYZGCDJMG-IIDMSEBBSA-N 287.403 3.720 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1 254958523 WISILWBOAJKSFI-UITAMQMPSA-N 286.762 3.697 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3nccn23)s1 255662468 MHOZAIWLMHHXKP-SREVYHEPSA-N 268.341 3.600 30 20 CHED C=CCCC(=O)Nc1ccc(C)cc1OCC(F)(F)F 263955955 CDXVDOLRWBWCBU-UHFFFAOYSA-N 287.281 3.841 30 20 CHED C=C1CCN(C(=O)C[C@H](C)Cc2cccc(F)c2)CC1 266875873 ZBOWBAIARZWAGH-CQSZACIVSA-N 275.367 3.573 30 20 CHED N#Cc1cc(CSCCC(F)(F)F)ccc1F 268203058 ZHIIAGYMTNLHOT-UHFFFAOYSA-N 263.259 3.883 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(C)c1C)OCC 270149778 VKDHSZSSIWWCNZ-HNNXBMFYSA-N 261.365 3.613 30 20 CHED Cc1cc(C)cc(Cc2noc(C3(C#N)CCCC3)n2)c1 273769176 UGFGXJVVSOSLTJ-UHFFFAOYSA-N 281.359 3.613 30 20 CHED CC[C@@H](N[C@@H](COC)c1ccc(C)o1)c1ccc(C#N)cc1 278383200 DFSJSRCRIOMCKC-SJORKVTESA-N 298.386 3.888 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@](C)(c2ccccc2)C1 278901693 YPHSRPSGKRYYDE-GOSISDBHSA-N 284.403 3.507 30 20 CHED CCN(CC)C(=O)c1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 280669847 LYKXPLQNFHTDJW-WMLDXEAASA-N 299.418 3.663 30 20 CHED COc1cc(Cl)ccc1CSCCCC#N 280884135 DQVXHEWSXWIAGU-UHFFFAOYSA-N 255.770 3.886 30 20 CHED CC#CC(=O)N1CCC(c2cccc3ccccc23)CC1 283209826 NJIZKXOYGQGNQM-UHFFFAOYSA-N 277.367 3.569 30 20 CHED C=C(C)CCc1noc(CCc2ccc(OC)c(F)c2)n1 285036300 GKNRSQJWHWJSCJ-UHFFFAOYSA-N 290.338 3.511 30 20 CHED CCc1ccc2occ(C(=O)N[C@](C)(C#N)C(C)C)c2c1 285826597 BQLMIWVAEOOUAQ-QGZVFWFLSA-N 284.359 3.663 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 286418802 QVBGVGUFPRYMQQ-RDJZCZTQSA-N 269.388 3.790 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)n(C2CCCCC2)n1 289938144 VMGZAIXILOPKPV-UHFFFAOYSA-N 290.411 3.737 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 291527544 ZFUOBLDRLYLGDN-HOTGVXAUSA-N 284.403 3.791 30 20 CHED CCCNc1ccc(CNc2ccc(C#N)c(C)n2)cc1 291965034 OMZFCXQWNOVNFY-UHFFFAOYSA-N 280.375 3.696 30 20 CHED N#C[C@@H]1CC[C@H](N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)C1 294162723 PMYZPCQUTBOFFN-ZWQIFLOQSA-N 278.399 3.999 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1cccc(C2CC2)c1 295097983 BLWMJAYTGYOJBQ-KBPBESRZSA-N 267.376 3.658 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)CC2CC2)s1 297910714 XHLLQLQWNMEDGK-UHFFFAOYSA-N 262.378 3.656 30 20 CHED C=CCN(CC=C)[C@@H](C)c1nc(-c2ccccc2C)no1 297937502 RQVZGLBTENMLLZ-AWEZNQCLSA-N 283.375 3.780 30 20 CHED C[C@H]1CCC[C@H](N(C)c2snc(Cl)c2C#N)C1 301124104 VGGHRKPUBPECAM-IUCAKERBSA-N 269.801 3.683 30 20 CHED COc1ccc(CNc2ccc(Cl)cc2C#N)cc1F 301193970 MVECJEIOWYRWGE-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C(Br)CNc1nc(-c2ccccc2)ns1 301369802 OZVZCGXALDBTRC-UHFFFAOYSA-N 296.193 3.526 30 20 CHED CC1(C)CCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 301455112 HCFZAJNBWDNUQG-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C#Cc1cccc(N(C)Cc2ncc(-c3ccccc3)o2)c1 303213222 SENWQNIYMOADQB-UHFFFAOYSA-N 288.350 3.959 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccccc1N(C)C 303842231 JECIFWHLMHPWLZ-UHFFFAOYSA-N 280.415 3.941 30 20 CHED COc1cccc(N/C(N)=N/C[C@H](C)c2ccc(C)cc2)c1 304765106 YWDPCQVGVUPNHK-AWEZNQCLSA-N 297.402 3.534 30 20 CHED Cc1ccccc1C(=O)COc1cc(Cl)cc(C#N)c1 312984675 RGHGLFBQEHOOAQ-UHFFFAOYSA-N 285.730 3.782 30 20 CHED Cc1nnc(CS[C@@H](C)/C(O)=N/C2CCCCC2)s1 329178766 NQEUKTPWLHFSPN-VIFPVBQESA-N 299.465 3.757 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/CC[C@H]1C[C@H]2CC[C@H]1C2 329525102 QVFNHWVBJFBPQH-UBHSHLNASA-N 288.391 3.991 30 20 CHED C[C@@H]1OCC[C@@]1(C)NC(O)=Nc1cccc(C2CCC2)c1 329840632 WKMZBSHQSRISQH-YVEFUNNKSA-N 288.391 3.657 30 20 CHED CC1(C)CCC[C@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)C1 329877080 IUKOGGBQGRAHJS-JSGCOSHPSA-N 288.391 3.931 30 20 CHED CCc1ncsc1N=C(O)c1oc(CC2CC2)nc1C 330010233 HWSOYRQHACHJKA-UHFFFAOYSA-N 291.376 3.591 30 20 CHED Cc1cc(C)cc(/C(O)=N/[C@](C)(C#N)CC(C)C)c1 330755117 GAFJFZFMEFXYAL-INIZCTEOSA-N 258.365 3.936 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1cccc(Cl)c1 330765767 UBMBFJZUJHKDBH-AWEZNQCLSA-N 264.756 3.973 30 20 CHED N#CCCC/N=C(/O)N1CCC[C@@H]1c1cccc(Cl)c1 330851967 QLOCYTAYFYFSBA-CQSZACIVSA-N 291.782 3.695 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1(CC(C)C)CCC1 332417856 CYRBHFSIMARVGJ-UHFFFAOYSA-N 285.391 3.755 30 20 CHED Cc1csc(NC(=O)c2ccccc2Cl)c1C#N 335657036 HIIZQEKAHQRYBW-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1csc(CN[C@H]2CCCCc3cc(C#N)ccc32)n1 335751273 KMNIUGMIVSUERU-INIZCTEOSA-N 297.427 3.881 30 20 CHED Cc1sccc1CN1CCC(C#N)(c2ccccn2)CC1 335943089 QDMNKAZENVLPIB-UHFFFAOYSA-N 297.427 3.509 30 20 CHED CC1(C#N)CCN(C(=O)c2cc(F)c3ccccc3c2)CC1 336469862 VPJSVXNZBJNXRU-UHFFFAOYSA-N 296.345 3.745 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N2CCC(C)(C#N)CC2)CC(C)(C)C1 336561393 LHYAJHZEBFNWBB-CABCVRRESA-N 290.451 3.991 30 20 CHED C=CCOc1cccc(CN[C@@H](C)c2ccncc2F)c1 337948928 YAHHYUYLRWXXQZ-ZDUSSCGKSA-N 286.350 3.636 30 20 CHED C=CCCSCc1ccc(OCC(F)(F)F)nc1 339089782 BQUNCXUZCRMCOX-UHFFFAOYSA-N 277.311 3.832 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(C)coc1C 339830546 XDEXTGFFOLJEHU-UHFFFAOYSA-N 294.354 3.597 30 20 CHED C[C@@H](c1ccccc1)[S@@](=O)Cc1ccc(CC#N)cc1 342254489 UIXODLUXXMZRSY-XOBRGWDASA-N 283.396 3.763 30 20 CHED C[C@H]1CCC[C@@H](OCCCCCC(=O)NCCCC#N)C1 342621308 ARFXZBUCKANSKL-JKSUJKDBSA-N 294.439 3.562 30 20 CHED CCS[C@H]1CCC[C@H](Nc2nccc(C)c2C#N)C1 343536874 SVLIVLUHRDLLOH-STQMWFEESA-N 275.421 3.738 30 20 CHED CCc1cnccc1[C@H](C)NCc1ccc(CC#N)cc1 343674246 ALVGXYYCWZLLFC-AWEZNQCLSA-N 279.387 3.561 30 20 CHED C=CCn1c(C)nnc1SCCCC1CCCC1 344193512 BVOIEPZFUUEFFB-UHFFFAOYSA-N 265.426 3.835 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccccc1CC#N 344408500 ZXWBOYQXBINFKF-TZMCWYRMSA-N 256.349 3.517 30 20 CHED C=CCn1cccc1-c1nc(CCCc2ccsc2)no1 346659601 IIBLHUKEOGPJJP-UHFFFAOYSA-N 299.399 3.961 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@@H](Cc3ccccc3)C2)n1 346856504 WWSULZIIGWDSSU-KRWDZBQOSA-N 291.398 3.721 30 20 CHED C=CCCCCN[C@@H](C)c1sc(CCOC)nc1C 349312730 MPOOGLYOAAQMKR-LBPRGKRZSA-N 282.453 3.647 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1cnc3ccccc3c1)CC2 353261115 CEFGUXUZMMTXMN-HXUWFJFHSA-N 299.377 3.884 30 20 CHED C=CCCC1(C(=O)N(C)C[C@H]2OCCc3ccccc32)CC1 355443229 LGGCBCVJLFWTRX-QGZVFWFLSA-N 299.414 3.505 30 20 CHED N#CC[C@H](CC(=O)N1CCC[C@H]2CCC[C@@H]21)c1ccccc1 356200207 PCDRLTICNYENJF-KURKYZTESA-N 296.414 3.865 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCCOc2cc3c(cc21)CCC3 358049706 RUHHBCAJNVUHPE-CXAGYDPISA-N 271.404 3.943 30 20 CHED C#CC[C@@H](NC(=O)N1CC(C2CCCC2)C1)c1ccccc1 373395980 RYEQAHHSHJRUEX-GOSISDBHSA-N 296.414 3.583 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCC2(F)F)c([N+](=O)[O-])c1 390861127 HYWXZBQNUMNCMM-NSHDSACASA-N 295.289 3.704 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(Cl)c1F 410122310 BTVSAGDOBCTKJZ-VIFPVBQESA-N 255.720 3.564 30 20 CHED Cc1cnc([C@@H](C)NCCC2(C#N)CCCCC2)s1 411528422 ANHILBLRDQXKGZ-CYBMUJFWSA-N 277.437 3.966 30 20 CHED CC1(C)CCCN(C(=O)Cc2cccc(C3CC3)c2)[C@@H]1C#N 412287998 FWLADMKWDUVCPE-QGZVFWFLSA-N 296.414 3.647 30 20 CHED N#Cc1ccc(NCC[C@@H]2C[C@H]3CC[C@H]2O3)cc1Cl 413399894 BZRJGGOJQZBEGU-WDBKCZKBSA-N 276.767 3.581 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 413476319 VEFZWLPMYKVGCO-FXECBMLZSA-N 296.414 3.769 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1coc(CCC)n1 413986099 LFSRPRBXVMLVIG-OAHLLOKOSA-N 298.386 3.544 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](CC)Sc1ccccc1 415626397 HENOSEZVRURFPK-UKRRQHHQSA-N 290.432 3.708 30 20 CHED C=CCCCSCc1nc(-c2cc(C)ccn2)no1 419419007 YQEYUUDKORJYIX-UHFFFAOYSA-N 275.377 3.639 30 20 CHED C=CCCS[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O 419422100 LTTMEUSJNMANHE-DOMZBBRYSA-N 293.407 3.797 30 20 CHED CC(C)(C#N)CCCSC[C@H]1C[C@H]2CC[C@H]1O2 419561542 JVSQSSXLLZUJGS-JHJVBQTASA-N 253.411 3.617 30 20 CHED CC[C@@H](N[C@@H](CN)C1CCCCC1)c1ccc(C#N)cc1 423270071 WMBQUPHOHJKSJN-MSOLQXFVSA-N 285.435 3.507 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(Cl)c(Cl)c2)C1 424208085 XYQWHKVOTMECSD-GXSJLCMTSA-N 269.175 3.775 30 20 CHED CCCCCNC(=O)Nc1ccc(C#N)cc1Cl 426140516 ZKGCPENAQXIAIY-UHFFFAOYSA-N 265.744 3.523 30 20 CHED CC1(C)CCC[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 426152808 IRAVGWASDIXWHJ-CYBMUJFWSA-N 291.782 3.912 30 20 CHED C[C@@H](Cc1noc(-c2ccc(C#N)o2)n1)c1ccccc1 426454920 AUILMFHZJOZQGN-NSHDSACASA-N 279.299 3.547 30 20 CHED CCCCN(C(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 433230276 GKFBQQVUCMUHMR-MRXNPFEDSA-N 284.403 3.550 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H](c3ccccc3)[C@H]2C)n1 433658073 YKNCRUFGSRMCAM-NVXWUHKLSA-N 291.398 3.953 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(F)cc1Cl 435741895 RJMUSOMGLCRMOU-SWLSCSKDSA-N 283.774 3.550 30 20 CHED N#C[C@H]1CC[C@H](NCCc2ccc3ccccc3c2)C1 442787916 DZQWGWTYMPSWTQ-YJBOKZPZSA-N 264.372 3.664 30 20 CHED C=CC[C@@H]1N(C(=O)C2[C@@H]3CCC[C@@H]23)CCCC1(C)C 444635531 LAKOASGCNJAPQR-MCIONIFRSA-N 261.409 3.626 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1cccc(C)c1Cl 447776677 JLYCHQDMRCJSLQ-CYBMUJFWSA-N 295.810 3.840 30 20 CHED C=CCC1(C(=O)Nc2ccc(NC(C)=O)cc2)CCCC1 449042552 SSEWOYMJYNXQQD-UHFFFAOYSA-N 286.375 3.720 30 20 CHED Cc1ccc(CN(C)C)cc1NC1CCC(C)(C#N)CC1 449055261 KEIRVYROTFAZJS-UHFFFAOYSA-N 285.435 3.941 30 20 CHED CC1(C#N)CCC(N[C@@H](c2ccccc2)[C@H]2CCCO2)CC1 449099931 PHFSRLXBZUYCQF-IAFLDTSXSA-N 298.430 3.969 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@H]2CSc3ccccc32)C1 449367629 XOGQQOVBOGHNMG-HZSPNIEDSA-N 272.417 3.548 30 20 CHED C=CCC1(CN[C@H](C)CC2CCOCC2)CCCC1 449604359 JYIPJJPXIPOPFB-OAHLLOKOSA-N 265.441 3.918 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2cccc(Cl)c2C#N)CCO1 450426147 VVCBNWPUBWEKIE-XHDPSFHLSA-N 278.783 3.827 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2c1ccc(Cl)c2Cl 453380520 ZYAGXEJTXOBKKP-MCIONIFRSA-N 298.213 3.914 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 456813028 OSEBBCRXCLDZOQ-LBPRGKRZSA-N 265.784 3.601 30 20 CHED Cc1c(C(=O)NCC(C)(C)CC#N)oc2ccc(F)cc12 457993552 WAJWQEKSHSRFHS-UHFFFAOYSA-N 288.322 3.550 30 20 CHED C=C(C)CCNC(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 458994439 GFGYYDHTBRESHL-HLLBOEOZSA-N 286.419 3.929 30 20 CHED CC[C@@H](CC#N)NCc1c(F)cc(C)cc1Cl 459473625 DJKUIUUNCWCRQQ-JTQLQIEISA-N 254.736 3.569 30 20 CHED C=CCC1(C(=O)Nc2nc(C)cc(C)n2)CCCCC1 459896423 MLBOBCBCIZPJGW-UHFFFAOYSA-N 273.380 3.559 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1C 460949222 MGQBLEPMASDKOP-UONOGXRCSA-N 290.455 3.678 30 20 CHED N#Cc1ccc(NC(=O)CCCC2CCCC2)cc1 463434428 HHDMHTIMTRSLHW-UHFFFAOYSA-N 256.349 3.857 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](SCc1ccccc1)C(C)C 465111286 IQGPSIUUJWIILA-UKRRQHHQSA-N 277.433 3.635 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)Cc1ccccc1 468018362 QKSTUTOXFIWFHU-SFHVURJKSA-N 273.420 3.974 30 20 CHED C=CCOCCCN1[C@@H](C)Cc2cc(OC)ccc2[C@H]1C 470790784 XFSHSWQYXIBGRD-LSDHHAIUSA-N 289.419 3.596 30 20 CHED C=C(C)[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1ccc(F)c(F)c1 474927664 KUBKTGIZFUWHLI-QEORTHHSSA-N 295.373 3.987 30 20 CHED C=CCCC1(C(=O)NCCc2ccc(C)cc2C)CC1 475173979 KDHDTHIDQUMXNF-UHFFFAOYSA-N 271.404 3.709 30 20 CHED C=C(C)CNC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 480305428 FTNNQVPVROJZJX-UHFFFAOYSA-N 283.158 3.781 30 20 CHED CCCc1sc(C(=O)N[C@]2(C#N)CC2(C)C)cc1CC 484912025 REQHFLLWSFKGKT-INIZCTEOSA-N 290.432 3.685 30 20 CHED C=CC[C@@H](C)NCc1cccc(Cl)c1OCC 487279824 PDQPDCHKFZIAFN-LLVKDONJSA-N 253.773 3.793 30 20 CHED Cc1[nH]c(=Nc2cccc(NC3CCCC3)c2)ccc1C#N 488073315 WQUCKTGUSSEKDM-UHFFFAOYSA-N 292.386 3.782 30 20 CHED C=CCN(C)C(=O)NCC1CCC(C(C)(C)C)CC1 488494248 AANUWRRBDPUZLT-UHFFFAOYSA-N 266.429 3.666 30 20 CHED C=C(C)CNC(=O)N[C@@H](CCCC)c1ccc(OC)cc1 488542653 IIWYTZANVHXKET-INIZCTEOSA-N 290.407 3.802 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(C#N)s1 489364809 RHWFRKMRXRNPHG-YPMHNXCESA-N 276.405 3.661 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@H](C)c1cccs1 491181638 VBNWSOHHYNXVMC-CQSZACIVSA-N 283.396 3.514 30 20 CHED C#C[C@@H](NCc1cccnc1Cl)c1ccc(Cl)cc1 491484615 JVAZPJQCJWICST-CQSZACIVSA-N 291.181 3.853 30 20 CHED CC(C)CCN(CCC#N)Cc1scnc1C1CC1 494924275 SQSMTYKBDNYJAW-UHFFFAOYSA-N 277.437 3.782 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)CCCC1(C#N)CCOCC1 499701463 BMRGNJXHRBKRAY-IAGOWNOFSA-N 292.467 3.988 30 20 CHED C=C(CNC(=O)NCC1(CCC)CC1)c1ccccc1 499743131 PHPBLRTYNFNDGO-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C 511156816 BIBXTKKVKJVEFL-IHRRRGAJSA-N 251.414 3.777 30 20 CHED C=CCOCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 520491688 LNDOAVQETWLHNG-SFHVURJKSA-N 289.419 3.826 30 20 CHED N#Cc1ccc(OCc2cnoc2C2CC2)cc1Cl 526126671 WUFCOKACFAMPOL-UHFFFAOYSA-N 274.707 3.656 30 20 CHED C[C@H](C#N)CN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 527235486 SPIWEBRISOEBPD-UTUOFQBUSA-N 250.773 3.581 30 20 CHED COCCNc1ccc(C2CCCCC2)cc1C#N 536955204 PHUDCQSMJHMSAE-UHFFFAOYSA-N 258.365 3.664 30 20 CHED C=CCCC[C@H](C)N1CCN(c2ncccc2Cl)CC1 537017478 ZSMVROGWFVDASN-AWEZNQCLSA-N 293.842 3.602 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(Cc1ccco1)C(C)C 537269398 YYDZVASXGVOUFC-CQSZACIVSA-N 278.396 3.944 30 20 CHED C=CCCOCCN[C@H](C)c1cc(Cl)ccc1OCC 537952368 CBFDPYBNBHRZDT-CYBMUJFWSA-N 297.826 3.982 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@@H](C)c1ccc(F)cc1 538610722 QIIUUMKFJOPMMQ-DOMZBBRYSA-N 278.371 3.583 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)cc1OCC)C1CC1 539011021 RNBVQLCOOLJEBQ-UHFFFAOYSA-N 294.782 3.921 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(-c2ccccc2)o1 539300171 UFGUMGITVPJPRK-LSDHHAIUSA-N 285.387 3.782 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccccc1C 539392481 ZFVAOBHLNZPRTO-CQSZACIVSA-N 260.381 3.539 30 20 CHED C[C@H]1[C@@H](Cc2ccccc2)CCN1CCC(C)(C)C#N 539570553 XUDGVILAJKNIJY-DOTOQJQBSA-N 270.420 3.879 30 20 CHED C=C(CC)CN(C)[C@@H]1CCCc2nc(CC)sc21 540216079 YUOAMLXKVUNGSU-CYBMUJFWSA-N 264.438 3.981 30 20 CHED CCOc1ccccc1N(C)Cc1cccc(C#N)c1F 540330647 FMRGLBQPFLZOIU-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1cccc(C#N)c1 540607691 URHCXLCEGIINLB-BDJLRTHQSA-N 298.773 3.996 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 542535142 GIPGHBZXHMJJFI-IAQYHMDHSA-N 290.794 3.910 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCCOC(C)C 543142731 OBNBROXLCYLTTH-UHFFFAOYSA-N 281.440 3.787 30 20 CHED N#Cc1ccc(CN(CC2CCCC2)C2CC2)cc1 543176930 BPDDZGPDZYXLJL-UHFFFAOYSA-N 254.377 3.713 30 20 CHED Cn1ccc2c(NCc3ccc(CC#N)cc3)cccc21 544097524 ZQMFJINOGKYJRZ-UHFFFAOYSA-N 275.355 3.856 30 20 CHED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC(C)(C)C1 544116653 DUOGPIXXPJFMGG-UONOGXRCSA-N 256.393 3.987 30 20 CHED C=CCCCC[C@H](C)NC1CCN(C(C)(C)C)CC1 553104350 VXIZBARVQFVZJB-HNNXBMFYSA-N 266.473 3.974 30 20 CHED C=CCN(Cc1cnc(C(C)(C)C)nc1)c1ccccc1 556598325 LRNQPFCDFZMFCG-UHFFFAOYSA-N 281.403 3.967 30 20 CHED CN(C(=O)C1(C#N)CCCCC1)[C@@H]1CCCc2ccccc21 562506554 CLGODGSFRAJTHC-QGZVFWFLSA-N 296.414 3.996 30 20 CHED N#CC1(NC(=O)c2cccc(C3CC3)c2)CCCCC1 565157037 KXEBMQIPHWQCBC-UHFFFAOYSA-N 268.360 3.520 30 20 CHED CC(C)(C)[C@H](NC[C@H](C#N)CCC#N)c1cccc(F)c1 567682840 AATSERDVNPCUJO-XJKSGUPXSA-N 287.382 3.946 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCC1 571526887 NAVBUZSVOLJGHH-DLBZAZTESA-N 269.388 3.637 30 20 CHED CC[C@@]1(C(C)C)C[C@H]1NC(=O)N1CCC(CCC#N)CC1 574152932 CXJADESNEYCGEP-WBVHZDCISA-N 291.439 3.536 30 20 CHED C=CCn1c(CC2CCCCC2)nnc1N1CCC[C@@H]1C 575029153 ZHCBAZZRHNWBCQ-AWEZNQCLSA-N 288.439 3.576 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nnc(-c3ccc(F)cc3)o2)C1 581865482 IYNSIJGEVVDART-SKDRFNHKSA-N 289.335 3.660 30 20 CHED CCCCc1ccc(C(=O)NC2(C#N)CCCCC2)cc1 585719515 YCPGOCYTEXBXPL-UHFFFAOYSA-N 284.403 3.985 30 20 CHED N#Cc1ncccc1NC[C@@H]1CCCC[C@@H]1C(F)(F)F 589581576 CVGWSCLKNCFCRL-QWRGUYRKSA-N 283.297 3.734 30 20 CHED Cc1ccc(-n2ncc(N[C@@H]3CCC[C@H](C#N)C3)c2C)cc1 593726029 VYIYJCDLARBWDF-JKSUJKDBSA-N 294.402 3.983 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)c1[nH]ccc1C1CC1 594364986 QGYSXXMXTNUAFL-UHFFFAOYSA-N 299.761 3.864 30 20 CHED N#Cc1ccc(CCN[C@@H]2Cc3ccc(Cl)cc3C2)cc1 595056110 QZSFHDKZFFITKM-GOSISDBHSA-N 296.801 3.511 30 20 CHED C[C@H](C#N)N(CCc1cccc(Cl)c1Cl)C1CC1 595710866 VXBGNZMHXPZSRK-SNVBAGLBSA-N 283.202 3.912 30 20 CHED Cc1cc(C#N)ccc1CN1[C@H]2CC[C@H]1CC(C)C2 595857354 LBADUOOEGDZYTH-IRXDYDNUSA-N 254.377 3.630 30 20 CHED CC(C)(CC(F)(F)F)Nc1nc(C#N)c(Cl)s1 596223562 SNMLXWYCFAIKTA-UHFFFAOYSA-N 283.706 3.811 30 20 CHED CCS[C@@H]1CCC[C@H]1NC(=O)CC1(C#N)CCCCC1 597342856 HNSVLZXAPJMUMW-ZIAGYGMSSA-N 294.464 3.641 30 20 CHED N#CC[C@@H]1CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 597903576 KJZOKTKQLJAUQT-HJOIGYKYSA-N 296.414 3.723 30 20 CHED C=CCC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1 598599621 CPSHLISQUPPQCG-DLBZAZTESA-N 286.419 3.584 30 20 CHED CC(C)(C#N)C[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccccc1 598705587 KVFAOHOCGXFGQQ-IRXDYDNUSA-N 298.430 3.514 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@H]2CCCC[C@H]2C)n1 598855289 XCGKVGCOSLNTPH-BXUZGUMPSA-N 285.391 3.725 30 20 CHED N#Cc1ccc(N(C(=O)C2=CCCC2)C2CCC2)cc1 598887059 NDQOMGIUHGFROK-UHFFFAOYSA-N 266.344 3.554 30 20 CHED C[C@@H](CCC#N)CNc1ccc2c(cnn2C(F)F)c1 602595314 WFMHULRHRWIONA-JTQLQIEISA-N 278.306 3.783 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCc1ccc2occc2c1 602709928 KSQOJHGKYQLVSF-CQSZACIVSA-N 298.386 3.621 30 20 CHED CCc1ccc(C(=O)[C@H](C)Sc2cc(C#N)ccn2)cc1 603727016 YBJDZBUXDAXYJU-LBPRGKRZSA-N 296.395 3.879 30 20 CHED C[C@H](NC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C)c1cccc(C#N)c1 610484891 AHIYHJNMZNNXOC-QDEZUTFSSA-N 299.418 3.743 30 20 CHED C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(C#N)c1 611465811 UYVHTSWDGZSHRL-STQMWFEESA-N 293.345 3.981 30 20 CHED C[C@]1(C#N)CCCN(C(=O)NCCCCC2CCCC2)C1 612132318 FGSMHOZJVKXOKA-QGZVFWFLSA-N 291.439 3.682 30 20 CHED C=CCCC1(CNC(=O)[C@@]23CCC[C@@H]2C3)CCCC1 617418019 PNFVIXCTDQOYGO-RHSMWYFYSA-N 261.409 3.819 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N=c1cc[nH]c2ccccc12 618693685 MTFLWHQAYRDRMU-SFHVURJKSA-N 285.350 3.628 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)CCCC1 619111466 YYGSTYHHJVKYDX-CVEARBPZSA-N 293.451 3.833 30 20 CHED C=CCCOCC(=O)Nc1ccc(OCCCC)cc1C 620206313 XHWYCCBKZCHLBU-UHFFFAOYSA-N 291.391 3.705 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCc2cc(C)cs2)C1 661264280 RDZAUFDVUBDVGM-ZDUSSCGKSA-N 278.421 3.554 30 20 CHED C=CCC1(NC(=O)N[C@@H](CC)CC(F)(F)F)CCCC1 664668736 OQUFPJITDLQXAB-NSHDSACASA-N 292.345 3.906 30 20 CHED C=CCC1(N[C@@H](C)[C@@H](C)c2ccccc2)CCOCC1 668552159 GCVGOZCDGXJUIL-CVEARBPZSA-N 273.420 3.894 30 20 CHED C=C[C@H](C)NC(=O)CCn1c2ccccc2c2ccccc21 674958003 WQQUHFFBHKZWCR-AWEZNQCLSA-N 292.382 3.875 30 20 CHED C=CCn1c(CCCC)nnc1N1CCC[C@H]2CCC[C@@H]21 685541286 ZYSODEVGQKXZMA-CABCVRRESA-N 288.439 3.576 30 20 CHED C#Cc1cccc(NC(=S)NCCCC2CCCC2)c1 726458080 JOTJFZIUMRFTHK-UHFFFAOYSA-N 286.444 3.925 30 20 CHED C#CCN(C(=O)C[C@H](C)CC(C)C)C1CCCCC1 727667915 USBIVGWRGWMGHO-OAHLLOKOSA-N 263.425 3.853 30 20 CHED O=c1ccc2cc(N=Cc3cc(Cl)ccc3O)ccc2[nH]1 728438082 OIKHJEGWHQCMPD-UHFFFAOYSA-N 298.729 3.638 30 20 CHED C#Cc1cccc(N(CC)C(=S)NC2CCCCC2)c1 728447455 CJSIQJOOBGQSJR-UHFFFAOYSA-N 286.444 3.701 30 20 CHED C=CCOCC(=O)O[C@H](C)c1ccc(C(C)(C)C)cc1 729650746 KTOCQBLNQQNTJO-CYBMUJFWSA-N 276.376 3.791 30 20 CHED C#CCOc1cccc(NC(=O)[C@@H](C)SCCCC)c1 730977933 QCXWJINRBWUIIA-CYBMUJFWSA-N 291.416 3.559 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1cc(C)ncn1 731935650 KJWMLGZFRRUUTR-UHFFFAOYSA-N 268.364 3.514 30 20 CHED CCCCCCCCC/C=C/C(=O)NC1CCOCC1 733921444 MZGODXFYNDITRW-ZHACJKMWSA-N 281.440 3.979 30 20 CHED C=CCC(=NNc1ccc(Cl)nn1)c1ccc(F)cc1 735609738 ZFQOTFRTMUWEAL-UHFFFAOYSA-N 290.729 3.661 30 20 CHED C=CCCC(CC)=NNCCc1ccc(OC)cc1 737440962 VANNHNXVKKXZMK-UHFFFAOYSA-N 260.381 3.560 30 20 CHED CC[C@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 738646712 ZYDPAFQWUGYLSR-LBPRGKRZSA-N 299.326 3.686 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)OCc1cccc(C#N)c1 738762622 SOXOQLFOUJNRNC-ZDUSSCGKSA-N 297.329 3.619 30 20 CHED C=CCCCCCN(C)Cn1sc2ccccc2c1=O 739886236 YWLFUYFXLDQPHY-UHFFFAOYSA-N 290.432 3.699 30 20 CHED CCCCCCCCOC(=O)c1ncoc1CC 740274576 XJGOISPDQKILBM-UHFFFAOYSA-N 253.342 3.754 30 20 CHED CCCCCCCN(C)[C@@H]1CCN(CC)[C@H](C)C1 740882197 HIBAHMWRVYMRSW-HZPDHXFCSA-N 254.462 3.761 30 20 CHED COc1cccc(NN=Cc2ccc3ccccc3n2)c1 741462012 HBPJNXJLAMPCLG-UHFFFAOYSA-N 277.327 3.689 30 20 CHED C[C@H](C(=O)Oc1ccc(C#N)cc1)c1cccc(Cl)c1 741882108 VPOYUXMQSKCYQU-NSHDSACASA-N 285.730 3.921 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(Cl)o1 742376392 REODOWVYGFCCRO-UHFFFAOYSA-N 279.698 3.696 30 20 CHED N#Cc1ccc(F)c(CNC/C=C\c2ccccc2)c1 742381883 QFTRWROSXQLBMB-DAXSKMNVSA-N 266.319 3.500 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C(F)(F)F)c(C)c1 743017348 SZFCZFRFSJSGLE-UHFFFAOYSA-N 288.338 3.876 30 20 CHED CSCC(=NNc1ccc(Cl)nc1)c1ccccc1 743449810 GBLRNZYFDXMMLT-UHFFFAOYSA-N 291.807 3.914 30 20 CHED C=C(C)CCOC(=O)C(C)(C)c1cccc(F)c1 744303407 ZOEYDPZKRBXOCM-UHFFFAOYSA-N 250.313 3.613 30 20 CHED C=CC[C@H](NC(=O)N[C@@H](C)C[C@H](C)CC)c1ccncc1 745829205 YUPAQLQTQIZPQU-YCPHGPKFSA-N 289.423 3.823 30 20 CHED O=C(/C=C\c1cccs1)c1cnn(-c2ccccc2)c1 746349382 XEHYKPHOXFNMFZ-HJWRWDBZSA-N 280.352 3.830 30 20 CHED CN(C(=O)/C=C\c1ccccc1)c1cc(Cl)ccc1C#N 751892614 IYDZRDSZSVLYON-YFHOEESVSA-N 296.757 3.888 30 20 CHED COCCON=C(C)c1ccc(Cl)c(C(F)(F)F)c1 754706185 ZHQDMIYLCJNISQ-UHFFFAOYSA-N 295.688 3.746 30 20 CHED N#Cc1ccc([C@@H](O)COc2cccc3c2CCCC3)cc1 755322695 USNYEMATMJAKLV-SFHVURJKSA-N 293.366 3.549 30 20 CHED CCC(C=NNc1nc(C(F)(F)F)cs1)CC 755906344 XVSWKPKNEJRWOD-UHFFFAOYSA-N 265.304 3.996 30 20 CHED O=C(O)c1cccc(NN=C2CC(c3ccc(F)cc3)C2)c1 759178707 CPXRCBXABWHIPB-UHFFFAOYSA-N 298.317 3.869 30 20 CHED C=C[C@@H](CC(=O)OCc1ccc(C)nc1)c1ccccc1 759455610 CLSIVXLPCZPCEN-INIZCTEOSA-N 281.355 3.793 30 20 CHED Cc1ccc(NN=Cc2cnc(C3CC3)s2)cc1 761795248 YJXKPMIPWADDLS-UHFFFAOYSA-N 257.362 3.775 30 20 CHED C(=NOCc1ccccc1)c1cnc(C2CC2)s1 761805101 XIFFOHLVKGKXHK-UHFFFAOYSA-N 258.346 3.571 30 20 CHED CCn1cc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)cn1 763288223 GOXFHWNJHYMJKH-FSEGOYHTSA-N 278.355 3.603 30 20 CHED Cc1n[nH]c(C)c1/C=C1\C(=O)c2cccc3c2[C@H]1CCC3 763290679 SFXFXOLCKNEJCS-LWLPBDFMSA-N 278.355 3.726 30 20 CHED C[C@H](C=NNc1cncc(Cl)n1)c1cccc(Cl)c1 763354589 SGFRGCRWOYZTRN-SECBINFHSA-N 295.173 3.985 30 20 CHED C#CCN(C(=O)CCc1ccc(Cl)c(Cl)c1)C1CC1 763800421 RHPAIWBQPYVFCC-UHFFFAOYSA-N 296.197 3.550 30 20 CHED C#CCOc1ccc(NC(=O)c2ccc(Cl)cc2C)cc1 765453472 PKOCEJNROZMJTL-UHFFFAOYSA-N 299.757 3.913 30 20 CHED Clc1ccc(NN=C2CCN3CCC[C@H]23)c(Cl)c1 765561693 BWYPFIOXDGJFIM-CYBMUJFWSA-N 284.190 3.629 30 20 CHED Cc1cc(C=NNc2cccc3cnccc23)ccc1C#N 766445994 BQUQAUZPQNKIPX-UHFFFAOYSA-N 286.338 3.861 30 20 CHED C[C@H](C#N)CNN=Cc1ccc(Oc2cccc(F)c2)cc1 766452426 HEEXJIKZXZNRHP-CYBMUJFWSA-N 297.333 3.701 30 20 CHED C#CCCCNC(=O)Nc1ccc(F)cc1OC(C)(C)C 766492740 WADLFZQAGTYBNO-UHFFFAOYSA-N 292.354 3.538 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cncc(C)c1 767368811 WDXCVCICPFRGFW-UHFFFAOYSA-N 253.349 3.843 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1ccc(F)cc1F 767649045 IJJUEBGOWRKAKA-JTQLQIEISA-N 266.287 3.619 30 20 CHED N#Cc1cccc(SCc2cccc3nsnc23)c1 768399967 FPMSSXYPLMCTBX-UHFFFAOYSA-N 283.381 3.855 30 20 CHED CS[C@H](C)CCC(=O)OCCCCC(C)(C)C#N 768834000 JMTSENCQDSENON-GFCCVEGCSA-N 271.426 3.781 30 20 CHED CCOc1ccc(N(C)Cc2cccc(C#N)c2F)cc1 769161851 BHVVANBKZMRXKY-UHFFFAOYSA-N 284.334 3.732 30 20 CHED N#Cc1ccc(NC(=O)[C@@H](F)c2ccccc2)c(Cl)c1 769472960 QLUNOFKVHGRJJH-AWEZNQCLSA-N 288.709 3.861 30 20 CHED C=C[C@H](CC(=O)O[C@@H](C)c1ncc(C)o1)c1ccccc1 771036579 QDIWUZIODYZYIL-UONOGXRCSA-N 285.343 3.947 30 20 CHED C#CCCCCCC(=O)Nc1cccc2cc[nH]c12 772731650 HQHSTAJJDDGODK-UHFFFAOYSA-N 254.333 3.690 30 20 CHED N#Cc1ccc(C=NNc2nccc3sccc23)c(F)c1 772841833 WKXWSXCPRPTZQK-UHFFFAOYSA-N 296.330 3.753 30 20 CHED C=CCCOC(=O)[C@@H](C)CSCc1ccccc1 772972758 WWTIQGPRQAVCMB-ZDUSSCGKSA-N 264.390 3.675 30 20 CHED CC(C)(C#N)C(=O)OCCc1cc(Cl)cc(Cl)c1 773403255 LLXHFPIMWYTPIG-UHFFFAOYSA-N 286.158 3.629 30 20 CHED C=C(CC)CN1C[C@@H](CCN2CCCC2=O)c2ccccc21 773446230 AELRWPLFLRHNIV-MRXNPFEDSA-N 298.430 3.569 30 20 CHED C=C(CC)COC(=O)c1cc(C)n(Cc2ccccn2)c1C 773480354 INKWFHIPRBHPGC-UHFFFAOYSA-N 298.386 3.671 30 20 CHED CC(C)(C)OC(=O)NC[C@@H]1CCCC1=NOC1CCCC1 774608545 PEKIPOUGXFMTSQ-LBPRGKRZSA-N 296.411 3.626 30 20 CHED N#CC1(COC(=O)CSc2ccc3ccccc3c2)CC1 775827220 HZVFCJXCPJWXPV-UHFFFAOYSA-N 297.379 3.779 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2nc3c(s2)CCCC3)cc1 776264370 XEKBUGYZANVDER-MDZDMXLPSA-N 294.379 3.790 30 20 CHED CCCCCCCN[C@@H]1CC[C@H]2SCCS[C@H]12 776747472 YNYCTNIWMLOCCK-MGPQQGTHSA-N 273.511 3.926 30 20 CHED C#CCOc1ccc(C(C)=NNc2cc(Cl)ccn2)cc1 777907490 WKIXVENQDZGLBX-UHFFFAOYSA-N 299.761 3.583 30 20 CHED N#CCOc1cccc(NC[C@@H]2CCOc3ccccc32)c1 779588821 QQCKAGKFDVISJX-AWEZNQCLSA-N 294.354 3.567 30 20 CHED C#CCCCCCC(=O)N[C@@H](c1ccccc1)C1CC1 779762226 XAGUCMHYHUMJCU-SFHVURJKSA-N 269.388 3.838 30 20 CHED Cc1ccccc1-c1cccc(C=NN[C@@H]2CCCOC2)c1 780260014 HGQBHKQOLSZOIN-GOSISDBHSA-N 294.398 3.765 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1ncncc1Cl 780281019 CYWRLQOVSWDXNB-UHFFFAOYSA-N 292.745 3.690 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1c1cccc(C)n1 780649731 MYIXRBUXRDGHQK-QGZVFWFLSA-N 284.403 3.637 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1ccnc(F)c1 781128395 VPUFEZZTOOSUTF-NSHDSACASA-N 269.323 3.853 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc(OC(C)C)cc1 781133991 NGCYJKPAQUJNNL-UHFFFAOYSA-N 287.338 3.844 30 20 CHED CC(C)c1nccnc1NN=Cc1cc(Cl)cs1 782286138 VPPCZTNKZCMHFZ-UHFFFAOYSA-N 280.784 3.761 30 20 CHED CO[C@]1(C)CC(=NNc2ccc(C#N)c(Cl)c2)C1(C)C 783878502 WKNBCQCXEXJBMI-OAHLLOKOSA-N 291.782 3.815 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)/C=C\C1CCCCC1 785560146 VJLGCRRYXQTMNO-VTSXBNNFSA-N 294.398 3.798 30 20 CHED C#CCOC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 788224161 GFIBYMFASWGJHT-CQSZACIVSA-N 280.323 3.617 30 20 CHED Cc1ccc(NN=Cc2cc(C)nc(Cl)c2)cc1 788698741 JVZGUWYIOWRJHS-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C=CCCOC(=O)C(C)(C)c1ccc(Cl)cc1F 789213458 BGJPCOPFGGSAOE-UHFFFAOYSA-N 270.731 3.876 30 20 CHED CCc1ccc([C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)cc1 789364232 VGLNIRXINCDJKR-LIRRHRJNSA-N 294.398 3.505 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790263837 FMGGBMOSKMHEOH-GFCCVEGCSA-N 297.320 3.560 30 20 CHED C[C@H](SCC1(C#N)CC1)[C@H](C)SCC1(C#N)CC1 790284245 WGJFLGUJXAKHRJ-RYUDHWBXSA-N 280.462 3.837 30 20 CHED C=CCC1(C(=O)OCc2cc(-c3ccco3)on2)CCC1 791557366 CRDMEFDFGXCORQ-UHFFFAOYSA-N 287.315 3.724 30 20 CHED N#CCc1ccc(NC(=O)[C@H](F)CC2CCCCC2)cc1 792846874 CMURIWISJYTGSH-MRXNPFEDSA-N 288.366 4.000 30 20 CHED C[C@@H](NN=Cc1cccc(OCCCC#N)c1)C(C)(C)C 793115980 QOLJYKFESNNLRB-CQSZACIVSA-N 287.407 3.727 30 20 CHED C=CCCCCC[C@H](C)N[C@H](CO)c1ccc(F)cc1 793541551 RHRBFHUYBGBZNG-WMLDXEAASA-N 279.399 3.974 30 20 CHED Cc1cc(Cl)ccc1C=NNCCC(F)(F)F 794553621 VREQZMJRBWGQTA-UHFFFAOYSA-N 264.678 3.524 30 20 CHED CC(Cc1ccccc1C(F)(F)F)=NNc1ncccn1 794853404 PZTIMFZKLPICLS-UHFFFAOYSA-N 294.280 3.526 30 20 CHED COc1ccc(C(C)=NOCc2ccccc2)c(C)c1OC 794887539 GVADVKKEUHSVBB-UHFFFAOYSA-N 299.370 3.953 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)CC[C@H](C)CC 795784637 SVMAPTJRFSGLBH-CQSZACIVSA-N 275.367 3.614 30 20 CHED C#CCN(Cc1ccccc1)C[C@@H](OC)c1ccccc1 796639026 KUBDKASBPMRZDW-LJQANCHMSA-N 279.383 3.510 30 20 CHED C=CCCCCOC(=O)c1c[nH]c(C(F)(F)F)c1 797272424 KXUIBQSSMKTZJN-UHFFFAOYSA-N 261.243 3.547 30 20 CHED C/C=C(/CC)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570639 JCPNCVUSIBAGQB-SDKXAQGSSA-N 276.405 3.973 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1ccccc1C(C)C 797941542 SGTWRNJZYXOIDW-UHFFFAOYSA-N 269.300 3.802 30 20 CHED C=CC[C@H](CC)NC(=O)NC(C)(C)c1ccc(F)cc1 798404928 VTNKUGLYBHXXMX-AWEZNQCLSA-N 278.371 3.715 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1coc(C(C)C)n1 799484362 BAFGRTQGCXHUMN-UHFFFAOYSA-N 278.743 3.683 30 20 CHED COc1cc(/C=C\c2cc(C=O)c(C)s2)ccc1C#N 799497423 QLVVZIWWKNMXEI-XQRVVYSFSA-N 283.352 3.920 30 20 CHED O=C(O)c1cc(NN=C2CCC23CCC3)ccc1Cl 799864031 IUUMNSLCNIQKER-UHFFFAOYSA-N 278.739 3.770 30 20 CHED CC(C)Sc1ccc([C@H](C)NCCO[C@H](C)C#N)cc1 801937501 OQTPZPOGPXEBGD-KGLIPLIRSA-N 292.448 3.766 30 20 CHED C[C@H](C#N)OCCNc1ccccc1CCC(F)(F)F 802743743 OZJJXSQMLDLIDU-LLVKDONJSA-N 286.297 3.522 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 807886388 QGJFVRIEBIOZIN-HUUCEWRRSA-N 263.425 3.853 30 20 CHED C#Cc1ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)cc1 809639595 OGQNQIFTQOFJQM-DNVCBOLYSA-N 276.383 3.646 30 20 CHED C=CCCN(Cc1scnc1C)OCc1ccccc1 809984917 BTXBRISLJOUCLV-UHFFFAOYSA-N 288.416 3.961 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C2=CCCC2)cc1)C(C)C 811491165 AMVXEPMLMFNSQF-QGZVFWFLSA-N 267.372 3.642 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1F)c1ccc(Cl)cc1 811950819 OAXAQHQFAXDWCS-OAHLLOKOSA-N 287.721 3.583 30 20 CHED Fc1cnc(NN=Cc2ccc(C3CCCC3)cc2)nc1 812227657 MANCOIHHLVSEHD-UHFFFAOYSA-N 284.338 3.719 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(C2CCC2)c1 812661742 QFMHLSVVLIFENM-UHFFFAOYSA-N 255.361 3.942 30 20 CHED Cc1cc(C(=O)Nc2nc(Cl)c(C#N)s2)sc1C 813369329 LMJFKMUXZVXXJN-UHFFFAOYSA-N 297.792 3.599 30 20 CHED CCCCCCCN[C@@H](c1nc[nH]n1)c1cccs1 815601334 SUFRUMIAFHOVCC-CYBMUJFWSA-N 278.425 3.516 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1nc2ccccc2s1 815621408 TYABDAGFBCGSHE-VIFPVBQESA-N 296.342 3.685 30 20 CHED C[C@@H](NN=C1CS[C@@H](C(C)(C)C)C1)c1ccncc1 819817718 DYOHUXCXPWTBHR-BXUZGUMPSA-N 277.437 3.640 30 20 CHED C=CCC1(C(=O)OCc2nc[nH]c2C(C)(C)C)CCCC1 822304040 GIKNGLNPUOJASU-UHFFFAOYSA-N 290.407 3.887 30 20 CHED C=CCCCCCCCNC(=O)Nc1c(C)cnn1CC 825143195 FFOZQOUMQOJQAF-UHFFFAOYSA-N 292.427 3.860 30 20 CHED CC(C(=O)Nc1nc(C)c(SCC#N)s1)=C1CCC1 825568474 QTKXEJUOOTXNGR-UHFFFAOYSA-N 293.417 3.506 30 20 CHED CCCCCCCCCC(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 833971682 LHRICZCBUSZRNK-YYIAUSFCSA-N 291.435 3.539 30 20 CHED C=CCCc1noc([C@H](C)Cc2ccc(F)cc2)n1 834814091 FBZHMDDEJOLGRF-LLVKDONJSA-N 260.312 3.674 30 20 CHED CC(C)ON=Cc1cnc(CCc2ccccc2)s1 835000032 HNQZUGDXUQEQHY-UHFFFAOYSA-N 274.389 3.687 30 20 CHED Cc1ccc(C(=O)OC[C@H](C)C#N)c(Cl)c1Cl 835238436 MPPXXGMUOGFGJO-SSDOTTSWSA-N 272.131 3.618 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c1 836253899 OMLGGAPICFWTGC-SJORKVTESA-N 284.403 3.812 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C1=CC[C@H](C)CC1 836503928 XRBTUMLMOXPUMS-AWEZNQCLSA-N 285.362 3.534 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)c1cnn(CC)c1 837041126 KKKOJFYXSPCCOO-AWEZNQCLSA-N 279.428 3.831 30 20 CHED CCCCCCCCCN(C)C(=O)c1c(C)cnn1C 839570941 LUBFFBRCQGBNNI-UHFFFAOYSA-N 279.428 3.551 30 20 CHED CC(F)(F)C/N=C\c1cc(Cl)cc(Cl)c1O 840706912 QAJIAVCQPGACBW-TVPGTPATSA-N 268.090 3.773 30 20 CHED CC(C)(O)C(C)(C)C/N=C\c1c(O)ccc2ccccc12 840710230 PHXPEIVBDAWOOM-ODLFYWEKSA-N 285.387 3.761 30 20 CHED N#C[C@@H](C(=O)[C@H]1CC12CCCC2)c1nc(C2CC2)cs1 842941704 SWUIMYDRNOYNJH-NWDGAFQWSA-N 286.400 3.777 30 20 CHED Cc1nc(Cl)cc(NN=C2CCCCC[C@@H]2C)n1 844585675 QLKIAXDJEZHIAM-VIFPVBQESA-N 266.776 3.807 30 20 CHED C=C[C@@H](C)ON=C(C)c1nc2ccccc2n1C(F)F 844625665 SPKLGYAUJKMMDP-SECBINFHSA-N 279.290 3.747 30 20 CHED C/C(=C/c1ccco1)C(=O)O[C@@H](C#N)C1CCCCC1 847692592 QQEAPVWDOMSFEO-WQTVUKCASA-N 273.332 3.699 30 20 CHED CCC[C@H](C)C(CC)=NNc1ccc(CC(=O)O)cc1 848415515 NBASQYUPQFWZOE-LBPRGKRZSA-N 276.380 3.928 30 20 CHED Cn1nc(C(F)(F)F)cc1/C=C/C(=O)C1CCCCC1 853002492 NIILYDRKNNDINX-BQYQJAHWSA-N 286.297 3.602 30 20 CHED C=CCC1(NC(=O)Nc2ccc(N(C)C)cc2)CCCC1 854166630 XPFLJFKGRSBNFQ-UHFFFAOYSA-N 287.407 3.763 30 20 CHED C=CCC1(NC(=O)c2cc(C=O)c(C)cc2C)CCCC1 855928377 NNFWRMXYDPVLBB-UHFFFAOYSA-N 285.387 3.735 30 20 CHED C=C[C@H](OC(=O)c1ncoc1C(C)C)c1ccccc1 857658784 MZPFYRONFKTYDY-ZDUSSCGKSA-N 271.316 3.882 30 20 CHED C(=NOC1CCCC1)C1([C@@H]2CCCCO2)CCC1 872362241 JMLOTCWJONCYSW-AWEZNQCLSA-N 251.370 3.671 30 20 CHED CO[C@](C)(C=NNc1cc(Cl)ccc1F)C1CC1 872418437 PQEKGWLVSOKNHU-CYBMUJFWSA-N 270.735 3.692 30 20 CHED COc1cc(NC[C@@H](C)CCC#N)ccc1OC(C)C 877383159 OJDZHQMOUHSOKX-ZDUSSCGKSA-N 276.380 3.834 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(-c2cn[nH]c2)c1 879331002 UIVURTATEKAEQQ-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=C1CCC(C(=O)Nc2ccc(F)c(C(C)=O)c2)CC1 890507584 KEIDAJZZOCLWOB-UHFFFAOYSA-N 275.323 3.713 30 20 CHED C=CCC[C@H](NCc1ocnc1C)c1ccccc1 894359559 RDIJQUNXRFLAQX-HNNXBMFYSA-N 256.349 3.780 30 20 CHED Cc1sc(CN2CCC[C@H](C#N)C2)cc1Br 896502701 ZICGEBHYIXXOED-SNVBAGLBSA-N 299.237 3.555 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(-c3ccon3)cc2)C1 897364118 SLYJVEQKGINPRK-IUODEOHRSA-N 267.332 3.836 30 20 CHED C[C@H]1/C(=C/c2cccc(OC(C)(C)C)c2)C(=O)c2nccn21 901565725 NKJOBOGZEHNGGA-CMHHUMAZSA-N 296.370 3.901 30 20 CHED C=CC[C@H](N[C@H]1CCC[C@H](OCC)C1)c1ccncc1 902807311 XUTVWQSIFSKJCY-ULQDDVLXSA-N 274.408 3.636 30 20 CHED CC[C@H](N[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1 902920167 SYFKXKRBXHYFBS-KBPBESRZSA-N 264.319 3.787 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccccc1OC(F)(F)F 903102016 PKWADSMHBFGGBX-JTQLQIEISA-N 284.281 3.540 30 20 CHED C=CCC[C@@H](NCc1ccc2c(c1)ncn2C)c1ccco1 903202347 AOCOSUPVJJHVGC-OAHLLOKOSA-N 295.386 3.963 30 20 CHED C=CCCC[C@@H](N)c1nc([C@@H]2CCc3ccccc32)no1 904602460 PHVMBEASXWJVFO-HUUCEWRRSA-N 283.375 3.504 30 20 CHED COc1ccccc1[C@@H]1CCCCN1c1ccnc(C#N)c1 912012889 ILAHUKAQXMMXNR-KRWDZBQOSA-N 293.370 3.693 30 20 CHED N#CCCCCOC(=O)c1ccc(Cl)cc1Cl 912956378 CCSQQMRZLHJRQJ-UHFFFAOYSA-N 272.131 3.844 30 20 CHED CC(C)(C)c1ccc(C=NNc2cncc(Cl)n2)cc1 914559522 DWFPZWKYQBQKEJ-UHFFFAOYSA-N 288.782 3.874 30 20 CHED CC(C)(C)n1cc(C=NNc2nc3ccccc3s2)cn1 915934104 RKGZQMDCEZUTSE-UHFFFAOYSA-N 299.403 3.694 30 20 CHED C=C(Cl)CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918779122 ZXKJPRMSBYDZRE-YUMQZZPRSA-N 295.654 3.802 30 20 CHED CCCC[C@H](CC)C(=O)OCc1ccc(C#N)cc1F 919223887 WNDUNFKBRPTQOH-ZDUSSCGKSA-N 277.339 3.957 30 20 CHED N#CCCCCSc1nc2ccc(F)cc2o1 919830935 KGEROYVYEXCMNB-UHFFFAOYSA-N 250.298 3.753 30 20 CHED Cc1ccc([C@H](C)/N=C\c2cccc(O)c2O)s1 920174742 PAYBKNSUPISIAJ-SOOGHKCXSA-N 261.346 3.648 30 20 CHED COc1ccc(O)c(C=Nc2cc(Cl)ccc2OC)c1 920946272 YLLLHBQHSQBFIO-UHFFFAOYSA-N 291.734 3.813 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1cccc(C#N)c1 925184338 BHAQKSRVIPMLPC-OLZOCXBDSA-N 255.365 3.537 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc2cccnc12 925706010 JHTAFZDKWADOKF-GFCCVEGCSA-N 253.349 3.975 30 20 CHED CC(C)(C)c1ccc2[nH]c(C(=O)NC3(C#N)CCC3)cc2c1 930795278 UBYPAFUGUWPPCJ-UHFFFAOYSA-N 295.386 3.641 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C)cc2SC)CC1 931725731 DNOVLLRXZUXMQS-UHFFFAOYSA-N 276.405 3.901 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(-c2ccon2)c1 933795494 XXHRZIJJQWVISU-UHFFFAOYSA-N 285.347 3.772 30 20 CHED CC[C@H](C)[C@@H](NC(=O)c1cc(C#N)ccc1C)C(F)(F)F 935672271 RUXPFZGLNGLISH-TVQRCGJNSA-N 298.308 3.574 30 20 CHED C=CCN(CC=C)C(=O)c1ccc2cc(OC)ccc2c1 1115815097 CISOABSNCGNWMT-UHFFFAOYSA-N 281.355 3.663 30 20 CHED CN(c1cccc(CC#N)n1)[C@H]1CCC[C@@H]1c1ccccc1 1118003875 JDRYIWGKLQFNIW-MSOLQXFVSA-N 291.398 3.920 30 20 CHED N#CCc1ccc(NC(=O)NCCCc2ccsc2)cc1 1123388730 DWXXBPWNTQWRDX-UHFFFAOYSA-N 299.399 3.568 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(C(F)F)cc1F 1124194676 GESUEJRHEVONJQ-UHFFFAOYSA-N 290.244 3.887 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 1138961380 KAESJWRYTYJGLP-YRGRVCCFSA-N 285.391 3.611 30 20 CHED CCCN(CC(C)C)C(=O)[C@H](C#N)CCc1ccccc1 1141250609 LBUZXRCFCWYULI-KRWDZBQOSA-N 286.419 3.654 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](Nc2cc(C#N)cnn2)CC1 1186144705 QJZSKWDLAJIRIS-UONOGXRCSA-N 272.396 3.755 30 20 CHED CC(C)Oc1ccc(CN2CCC[C@H](C#N)C2)cc1Cl 1231713276 RTBGLZSAOFCHDJ-CQSZACIVSA-N 292.810 3.863 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3CCCCO3)o2)cc1Cl 1261433515 YJDIZGIQBBPRIH-LBPRGKRZSA-N 289.722 3.503 30 20 CHED Cc1c(C#N)c(NC(=O)[C@@H]2CCC[C@H](F)C2)n2ccccc12 1262090451 QRKTYAZTMABZMA-OLZOCXBDSA-N 299.349 3.586 30 20 CHED N#Cc1ccccc1N(C(=O)C[C@@H]1C=CCC1)C1CCC1 1262101191 QBBOWPGGAHGQHX-CQSZACIVSA-N 280.371 3.800 30 20 CHED COc1cccc2cc(CN[C@@H](C)CC(C)(C)C#N)oc12 1262354066 XNZVJXHGRLBRRC-LBPRGKRZSA-N 286.375 3.859 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@@H](CC#N)c2ccccc2)C1 1264797017 JFFJERGPRAEVIA-VYDXJSESSA-N 284.403 3.626 30 20 CHED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1cccc(O)c1 1317821596 ZNHZRJMCJXRXNU-FLIBITNWSA-N 293.366 3.889 30 20 CHED Clc1cccc(C#CCN2CC3CCC2CC3)c1 1320559336 HKYPXWBSQJBWCI-UHFFFAOYSA-N 259.780 3.566 30 20 CHED C=CCN(C)Cn1cc(-c2ccccc2)oc1=S 1320752402 OJPYFMAKJBEGNW-UHFFFAOYSA-N 260.362 3.553 30 20 CHED CCCCNc1nnc(S[C@@H](C)CCC#N)s1 1321670948 YSMGCTMMBMZAAS-VIFPVBQESA-N 270.427 3.534 30 20 CHED C=C(C)CCC(=O)N(CC)[C@H](CC)c1ccncc1 1335785567 JLXFQAUZTVLSSL-OAHLLOKOSA-N 260.381 3.738 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2[nH]cc(C=O)c2c1 1336239351 XEIXQKQLODMQGQ-HNNXBMFYSA-N 296.370 3.551 30 20 CHED CCCCCCCC[C@@H](N)C(=O)Nc1cc(N)ccc1C 1343487251 NLSDIHBDHLSUBT-OAHLLOKOSA-N 291.439 3.594 30 20 CHED Cc1c(C(=O)[C@H](C#N)c2cccc(F)n2)oc2ccccc12 1344594655 GYTOZSYNIBFGKE-GFCCVEGCSA-N 294.285 3.765 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccnc2cc(Cl)ccc12 1346951034 KYGZPIXJSMZPBO-AWEZNQCLSA-N 288.734 3.593 30 20 CHED C=C(C)CCC(=O)Nc1c(C)noc1-c1ccccc1 1346975067 KIMYBSNPYIDTDL-UHFFFAOYSA-N 270.332 3.945 30 20 CHED CCc1oc2ccccc2c1C(=O)N1CCC[C@@H](CC#N)C1 1351217737 SMOZUZYDMAKGSD-ZDUSSCGKSA-N 296.370 3.761 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N1CC[C@@H](C2CCC2)C1 1351733116 SCHWFFNPBYMOEI-MRXNPFEDSA-N 298.434 3.524 30 20 CHED Cc1sccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 1354918461 JIBUVZZIFJVTJU-SNVBAGLBSA-N 271.341 3.846 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H]2CCC[C@@H]2C)c1 1436706274 PQCFYZKDCIKLQU-JSGCOSHPSA-N 256.349 3.632 30 20 CHED Cc1cccc(C(C)(C)CNc2cc(C)c(C#N)cn2)c1 1458148112 XSGCLUVZROYFJH-UHFFFAOYSA-N 279.387 3.960 30 20 CHED C[C@H]1CCC[C@@H](C)N(CCc2ccc(C#N)cc2)C1 1459503863 AYMWTCPHQDYPDV-LSDHHAIUSA-N 256.393 3.611 30 20 CHED Cc1nc(C#N)cc(N[C@H]2c3ccccc3CCC[C@H]2C)n1 1472752209 HKRNGHTVBWZXGM-KZULUSFZSA-N 292.386 3.782 30 20 CHED N#CC[C@H](OC(=O)c1cc2c(s1)CCC2)c1ccco1 1518002664 WIWROJLLRBLHQQ-LBPRGKRZSA-N 287.340 3.642 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 1520854150 LSRXAVOGBQPCLA-JSGCOSHPSA-N 293.370 3.871 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(C#N)cc1F 1521748797 WBGCSWDKZGIMRP-JSGCOSHPSA-N 288.366 3.644 30 20 CHED CC(C)(C#N)C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 1535361052 ZSONTVLEWKCJPC-CQSZACIVSA-N 284.403 3.788 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)CCC1CC1 1539776134 WAHTZRBYCJEZFH-NSHDSACASA-N 296.846 3.780 30 20 CHED Cc1ccc(CSc2ccc(C#N)c(C)c2)cn1 1559430154 YBIZRXPPTNIXNS-UHFFFAOYSA-N 254.358 3.862 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1 1600430456 PHRRSNHEEYAKSH-VQHVLOKHSA-N 284.286 3.728 30 20 CHED Cc1oc(C=NNc2cccc3ccccc23)cc1C(=O)O 1600838767 ZIXAKYYZMHRYBH-UHFFFAOYSA-N 294.310 3.885 30 20 CHED Cc1cc(C)c(C=NNc2ccc(CC(=O)O)cc2)c(C)c1 1607618735 NJVLFHJOAKOUDP-UHFFFAOYSA-N 296.370 3.685 30 20 CHED O=C1/C(=C\c2ccoc2C(=O)O)[C@@H]2CCCc3cccc1c32 1610881782 GHMQWKKWGQOTRK-CJAAZZPWSA-N 294.306 3.678 30 20 CHED N#Cc1cncc(SCc2ccc(C(F)(F)F)cc2)n1 1612348287 BHDPIUPFHGCBCF-UHFFFAOYSA-N 295.289 3.659 30 20 CHED N#Cc1nccc(N[C@H](C2CCCCC2)C2CCC2)n1 1612528557 CANXXNMBIMZXMQ-MRXNPFEDSA-N 270.380 3.509 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)Nc1n[nH]cc1C#N 1638659684 IMEZEXATGDZPCW-CYBMUJFWSA-N 288.395 3.607 30 20 CHED N#Cc1cc(=NC2CCC3(CCCCC3)CC2)cc[nH]1 1639785331 YLUUFODDOLBGEP-UHFFFAOYSA-N 269.392 3.680 30 20 CHED CC[C@@H]1CCN(c2c(Br)cccc2C#N)C1 1642405427 WNYUVUIETVUUKI-SNVBAGLBSA-N 279.181 3.557 30 20 CHED Cc1ccc2ncc(C#N)c(OCC3CCCC3)c2c1 1652004892 DOQJVSIKGGPMDY-UHFFFAOYSA-N 266.344 3.984 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@H](OC)[C@H](C)CC 1663915802 CHIAYMSYCIVOQQ-CRAIPNDOSA-N 288.435 3.831 30 20 CHED CC(C)=CCC/C(C)=C\C=NNc1ccc(C(=O)O)nc1 1776069124 REIXLOKLMIKZSF-FPVBTWCSSA-N 287.363 3.870 30 20 CHED C[C@@H](C=NNc1ccc(CC(=O)O)cc1)c1ccccc1 1776083586 OYTQUVDAKGLXNP-ZDUSSCGKSA-N 282.343 3.515 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cccc(CC(=O)O)c2)c1 1776133867 WVRISVGFHNHCAB-HJWRWDBZSA-N 294.350 3.827 30 20 CHED C=CCCC1(CNc2ccc(C(=O)O)cn2)CCCC1 1776170446 MXEDTZYQLTZILB-UHFFFAOYSA-N 274.364 3.718 30 20 CHED CCc1cccc2cccc(B3OC(C)(C)C(C)(C)O3)c12 2332240532 BMJPUZHZAYDQDK-UHFFFAOYSA-N 282.192 3.701 30 20 CHED N#Cc1ccc(OC(=O)c2cc3c(s2)CCCC3)cc1 3524126 GGOVNDBJOUAGEP-UHFFFAOYSA-N 283.352 3.718 30 20 CHED Cc1ccc(NCC(=O)Nc2cccc(C#N)c2)c(Cl)c1 7972381 QKMXFVHSEXWYNJ-UHFFFAOYSA-N 299.761 3.571 30 20 CHED CC[C@](C)(C#N)NC(=O)CCc1ccc(Cl)c(Cl)c1 101516978 YQWYTGNKORDAEJ-CQSZACIVSA-N 299.201 3.734 30 20 CHED C=CCCCCNCc1cc(Br)ccc1O 309214719 OWXFERVVQIAACA-UHFFFAOYSA-N 284.197 3.601 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccccc1)C(F)(F)F 117033803 NZBLAQPALYPEDK-ZYHUDNBSSA-N 286.297 3.554 30 20 CHED C[C@H](OC(=O)Cc1cccc(F)c1)c1ccc(C#N)cc1 175782737 STOHVRDLOCKYPL-LBPRGKRZSA-N 283.302 3.544 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@H](C)[C@@H]1C 172640189 AQGWQIKDXCLLQZ-KGLIPLIRSA-N 273.376 3.512 30 20 CHED N#Cc1cnc(NC(=O)c2cc(Cl)ccc2Cl)s1 56939555 ZRDLWENSXLBMNZ-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2ccccc2C)c1 103394626 VWVQOACTOSJJKY-UHFFFAOYSA-N 277.367 3.572 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1cccc(F)c1 173040905 FCSCTUSKQPXGOX-UHFFFAOYSA-N 297.333 3.772 30 20 CHED CCCCCCCC(=O)NC1CCN(C2CCCC2)CC1 177425010 DVKKXLLXHPWRSK-UHFFFAOYSA-N 294.483 3.870 30 20 CHED C=CCCC(=O)N(C)Cc1csc2ccccc12 170667830 DKPGAGHTFPXGCR-UHFFFAOYSA-N 259.374 3.826 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3cc(F)ccc32)c1 302193409 CLHFCRVODFENHK-AWEZNQCLSA-N 297.289 3.705 30 20 CHED N#CCCCN1CCc2cc(-c3ccccc3)oc2C1 177716863 LCXKBDYCCFJRSW-UHFFFAOYSA-N 266.344 3.608 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-c2ccsc2)nc1C 116850003 PSWVHPHZZQJHAB-NSHDSACASA-N 286.400 3.813 30 20 CHED CCc1ccc([C@H]2CN(c3ccc(C#N)cc3)CCO2)cc1 302653591 CJKGLUFAVGVPBA-LJQANCHMSA-N 292.382 3.699 30 20 CHED CCCCO[C@@H](C)C(=O)Nc1sc(C)c(CC)c1C#N 68677024 REQQMBIBORTCDR-JTQLQIEISA-N 294.420 3.634 30 20 CHED C=CCSCc1cccc(C(=O)N2CCCCC2)c1 114756662 RKJGBQUYQGVEJO-UHFFFAOYSA-N 275.417 3.732 30 20 CHED N#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)C1CC1 176064622 QBCWQANJEPDIED-KURKYZTESA-N 291.350 3.789 30 20 CHED C=CCNc1nc(-c2[nH]c(C)c(C(C)=O)c2CC)cs1 67985496 DEBHXNUBHMYXCH-UHFFFAOYSA-N 289.404 3.810 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H]1c1ccccc1C 173664026 YOTAYOCFZBXACT-KRWDZBQOSA-N 287.403 3.641 30 20 CHED CCC1(CC)CCN(Cc2ccc(F)c(C#N)c2)C1 229751435 JBQUCIMDUKMTAC-UHFFFAOYSA-N 260.356 3.709 30 20 CHED N#CCCCOc1cccc(CN[C@@H]2CC=CCC2)c1 172475412 REIUQTRMWOUXJZ-MRXNPFEDSA-N 270.376 3.567 30 20 CHED C=CCN(CCc1ccccc1)CCc1scnc1C 172530439 NRFZUGRATFSAJN-UHFFFAOYSA-N 286.444 3.725 30 20 CHED C=CCOc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 127915186 QQFFOHBOKZJFRU-UHFFFAOYSA-N 299.345 3.663 30 20 CHED CCc1ccc(C(=O)N(CCC#N)CCC(C)C)s1 171549118 NMHCCNHXFKNSRW-UHFFFAOYSA-N 278.421 3.712 30 20 CHED N#Cc1ccc(N2CCc3c2cccc3C(F)(F)F)nc1 302158736 OAWPESJHQQTGQX-UHFFFAOYSA-N 289.260 3.666 30 20 CHED C[C@H]1CN(c2ncccc2C#N)CC[C@H]1c1ccccc1 301440654 IOASWADTTDNJNT-WMLDXEAASA-N 277.371 3.583 30 20 CHED N#Cc1cccc(C#N)c1NCc1cccc2cccnc12 302448949 OTGDHYCSOVSQIH-UHFFFAOYSA-N 284.322 3.590 30 20 CHED N#Cc1ccc(CNc2ccccc2OCC(F)F)cc1 124454122 OSEFFAXKTSVCTQ-UHFFFAOYSA-N 288.297 3.814 30 20 CHED C=C(C)CN(C)C(=O)NCC1(c2ccc(Cl)cc2)CC1 180948732 JPWGGWZCXCXJFP-UHFFFAOYSA-N 292.810 3.589 30 20 CHED C=CCCS(=O)(=O)N[C@H](c1ccccc1C)C(C)(C)C 121334656 RGEQSRXTNXDPRB-OAHLLOKOSA-N 295.448 3.578 30 20 CHED CC#CCCCC(=O)NCC1(c2ccc(F)cc2)CCC1 185366324 NROPPOWXXPSKKP-UHFFFAOYSA-N 287.378 3.557 30 20 CHED CC(C)(C)c1ccc(CNC(=O)C2(C#N)CCCC2)cc1 74471335 HFYVSJUOULXONO-UHFFFAOYSA-N 284.403 3.684 30 20 CHED COc1ccc(OC(C)C)c(N[C@@H]2CCC[C@H](C#N)C2)c1 185746493 LFPHQDPICZWHFG-UONOGXRCSA-N 288.391 3.977 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2C[C@]2(C)C(C)C)s1 186694137 PQHQSRFUPQGNST-SWLSCSKDSA-N 276.405 3.803 30 20 CHED CC[C@@H](NC1CCC(OC)CC1)c1ccc(C#N)cc1 414166166 DNSFSRYPXQNLAM-OFLPRAFFSA-N 272.392 3.557 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1c(C)noc1C 126457109 GPYKGSMJFFYFPJ-CYBMUJFWSA-N 294.439 3.947 30 20 CHED C#CCOc1ccccc1NC(=O)c1ccc(C=C)cc1 186429792 OIXYCDLKKWMHIK-UHFFFAOYSA-N 277.323 3.594 30 20 CHED CC(C)(C)c1cccc(OCCN2CCC(C#N)CC2)c1 32133782 ILNWPFWHDJYZKL-UHFFFAOYSA-N 286.419 3.598 30 20 CHED CC#CCCCC(=O)NC(C)(C)c1cccc(Cl)c1 185853842 JFIYLBBXIUNPQV-UHFFFAOYSA-N 277.795 3.885 30 20 CHED C=C[C@](C)(CC)C(=O)NC1CC(C)(c2ccccc2)C1 410076670 FATAEGAKTIDMFI-IIIMJFFVSA-N 271.404 3.825 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N2CCCc3cc(C#N)ccc32)C1 411001863 NUSTXUAGWYHWCV-CZUORRHYSA-N 282.387 3.664 30 20 CHED C=CCC(CC=C)C(=O)NCCCc1ccccc1 121005676 WNQSHRHAZDMUNG-UHFFFAOYSA-N 257.377 3.504 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccc(F)cc1 71887949 ISUHKFJUBFXIFZ-UHFFFAOYSA-N 271.310 3.600 30 20 CHED COC1(CCSCc2cccc(C#N)c2F)CCC1 419489897 GXGNIWIBWNSVJW-UHFFFAOYSA-N 279.380 3.890 30 20 CHED Cc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 181308109 YLMFIQAYXJYPII-CYBMUJFWSA-N 295.342 3.930 30 20 CHED CC(C)(C)c1nc(CCN[C@H]2CCC[C@H](C#N)C2)cs1 185874679 KTJBHORWGQNHEJ-STQMWFEESA-N 291.464 3.655 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 183224780 RRKLOPYHIRDWRA-BLLLJJGKSA-N 290.382 3.667 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 180647845 REVPPSSIQZJICT-CQSZACIVSA-N 290.407 3.752 30 20 CHED CC(C)(C)[C@H]1CN(CCC2(C#N)CCCCC2)CCO1 411675156 OTBZBOHFGDMADW-OAHLLOKOSA-N 278.440 3.597 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccccc2OC(F)F)C1 185735831 ISYAYHAGKXJBMD-WDEREUQCSA-N 266.291 3.782 30 20 CHED CC(C)(C)c1ccncc1CNCc1ccc(C#N)cc1 414503011 VHBVMEKDFDVSOP-UHFFFAOYSA-N 279.387 3.541 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2/C=C\c2ccccc2)n1 503290373 ZOQNVXMHMURYLT-WFTPILKQSA-N 275.355 3.635 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2CCCCO2)c1 122327653 ALCKEVNDXBYCGW-NSHDSACASA-N 284.281 3.558 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2c(Cl)cnn2C)c1 122679754 WHIFAZBWXRAPEA-SNAWJCMRSA-N 274.751 3.586 30 20 CHED CC(C)(C)OC(=O)CC[C@H]1CCCN(CCCCC#N)C1 412077051 STBPVOZQHGSAOR-OAHLLOKOSA-N 294.439 3.514 30 20 CHED C[C@H](SC[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 419429407 UQTULYLVWNJTLM-AEAUEXCSSA-N 273.401 3.920 30 20 CHED C=CCC[C@@H](C)NCCCN(C)C1CCCCC1 130535759 SFBKUCBUSWMGAL-OAHLLOKOSA-N 252.446 3.585 30 20 CHED CN(CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 412004004 BSHWEIGZSJIEOG-IAGOWNOFSA-N 268.404 3.948 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc(Cl)cc(Cl)c1 42530412 VWYJDABGUPSUAM-UHFFFAOYSA-N 285.174 3.758 30 20 CHED N#Cc1nc(NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)ccc1Cl 132390774 YCRMQZQLAQXJCV-XNJGSVPQSA-N 295.773 3.604 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ccc(C#N)cc1F 49184355 RAUACLNBZJGQEZ-JTQLQIEISA-N 260.337 3.802 30 20 CHED CCN(CCC#N)C(=O)c1cc(Cl)ccc1OC(C)C 133606144 CLPCSVYERHWYSZ-UHFFFAOYSA-N 294.782 3.503 30 20 CHED CCCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cn1 181725709 GZAFOJTYDQCHOH-CQSZACIVSA-N 295.386 3.593 30 20 CHED Cc1ccc([C@H]2CCCN2c2ncc(C#N)cc2F)s1 413149116 ZPJQVWYYPBMJRH-CYBMUJFWSA-N 287.363 3.804 30 20 CHED C=C[C@H]1CCCCN1c1ncnc2scc(C)c12 413261895 GTNVQCKJCRJTFP-NSHDSACASA-N 259.378 3.545 30 20 CHED C[C@@H](NCC(C)(C)CC#N)C(C)(C)c1ccccc1 414158406 AAKPVLVISWFVJF-CQSZACIVSA-N 258.409 3.882 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)cc1CC#N 410964004 GVUFSQIEKANXKK-NSHDSACASA-N 276.767 3.947 30 20 CHED CCC(=O)c1cccc(NCc2ccc(C#N)cc2)c1 135776073 VBRDVWVQNBROHR-UHFFFAOYSA-N 264.328 3.763 30 20 CHED CCC[C@@H](C)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 89631929 ZWGVWNSYMRTDNR-UKRRQHHQSA-N 290.407 3.654 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1C 49904438 INPZBYLNVFJIHS-INIZCTEOSA-N 298.773 3.952 30 20 CHED C=CCN(Cc1ccccc1)Cn1cc(C)cnc1=S 131075709 XGWRAGKCEODMFW-UHFFFAOYSA-N 285.416 3.567 30 20 CHED Cc1ccc(Nc2c(C#N)nnc3ccccc23)cc1 41529592 LWTLDVQSJSNBOP-UHFFFAOYSA-N 260.300 3.554 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@H]2CCCCS2)n1 613428992 CZOUBRLKSCWDPX-CYBMUJFWSA-N 289.448 3.948 30 20 CHED Cc1nc(CCN(C)[C@@H](C)c2cccc(C#N)c2)cs1 425542591 YJKOMYYWOIFTOZ-LBPRGKRZSA-N 285.416 3.559 30 20 CHED Cc1nc2ccc(N=C(O)[C@@H]3CCCSC3)cc2o1 329772975 HVROFVPORYPFAQ-SNVBAGLBSA-N 276.361 3.867 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(c2ccc(F)cc2F)CC1 424751975 WHRYLDMQGAABFJ-UHFFFAOYSA-N 293.357 3.715 30 20 CHED N#Cc1ccc(NCc2ccoc2)cc1Br 228196413 XIJIPZZRGYCGJS-UHFFFAOYSA-N 277.121 3.526 30 20 CHED CCC(CC)C(=O)Nc1cc(C#N)ccc1OC(C)C 193335945 BSOALJJYLAKSLY-UHFFFAOYSA-N 274.364 3.720 30 20 CHED C[C@H](NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ccc(C#N)cc1 133211889 DJWJJKPQLMKYPO-HAEOHBJNSA-N 288.394 3.795 30 20 CHED Cc1nc(C)c(C/N=C(/O)[C@@H]2C[C@H]2c2sccc2C)o1 329161661 FSMHQZLWZXJUMY-VXGBXAGGSA-N 290.388 3.922 30 20 CHED C=CCCC(=O)N1CC(OCc2cccc3ccccc23)C1 80941702 CGMMFKBCVNECLD-UHFFFAOYSA-N 295.382 3.533 30 20 CHED C=CCSCCNC(=O)Nc1ccc(Cl)cc1F 194596632 FYOJCFNDLFVZSZ-UHFFFAOYSA-N 288.775 3.520 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CC2CCC2)cc1 80162310 DMXQWSGAXKXCIB-MRXNPFEDSA-N 284.403 3.855 30 20 CHED Clc1ccccc1C#CCN1CC[C@H]2CCC[C@@H]21 426462058 RWPMKPCCJCTXCO-ZBFHGGJFSA-N 259.780 3.566 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@@H]2c2cccs2)c1 84070928 YCBKOOYNYVYJTO-LLVKDONJSA-N 288.397 3.659 30 20 CHED C[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1ccc(C#N)cc1 229274403 XLOQREBLBDCPQK-RHSMWYFYSA-N 284.403 3.701 30 20 CHED C=CCC1(c2nc(-c3ccccc3OC)no2)CCC1 191223548 IBIDEQVXABROBO-UHFFFAOYSA-N 270.332 3.743 30 20 CHED C=CC1CCN(C(=O)c2c(F)cccc2SC)CC1 336988413 IXWMKEBGNHMAGC-UHFFFAOYSA-N 279.380 3.586 30 20 CHED C#CCCOc1ccc(CNc2ccc(F)c(C#N)c2)cc1 191841541 BQHAOFLWGXRFKS-UHFFFAOYSA-N 294.329 3.712 30 20 CHED CSc1ccc(OCc2cccc(F)c2C#N)cc1 427527616 KPNSIFCGBKEFKF-UHFFFAOYSA-N 273.332 3.998 30 20 CHED Cc1cccc2cc(C(=O)[C@H](C#N)c3ccccn3)oc12 147032981 RZFKZOYYQWZIKY-CYBMUJFWSA-N 276.295 3.626 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1C[C@H]2CC[C@H]1C2 512197089 RTKXTBIRNJJHCF-HRCADAONSA-N 289.419 3.586 30 20 CHED Cc1cc(OCCC[C@H](C)NCCC#N)ccc1Cl 338959917 YQXHDHGYMVACRW-ZDUSSCGKSA-N 280.799 3.699 30 20 CHED Cc1nc(-c2ccccc2)sc1NC(=O)[C@]1(C#N)C[C@H]1C 334622540 UISPIBLPFNSSQS-HWPZZCPQSA-N 297.383 3.607 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)CC1(C)C 335352693 QXCYPOYNIKNDMI-NSHDSACASA-N 271.364 3.519 30 20 CHED CCCc1c(/C(O)=N/CC2CCCC2)[nH]c(C)c1C(C)=O 330443757 BRVRUGOSGHSDHG-UHFFFAOYSA-N 290.407 3.973 30 20 CHED C[C@@H]1C[C@@H](CC(=O)NCC2(C#N)CCC2)CC(C)(C)C1 331869157 LOWDYQIVDMLPJV-KGLIPLIRSA-N 276.424 3.649 30 20 CHED C#CCCCC(=O)Nc1cnccc1Oc1ccccc1 192245008 WFYPBINHOTVGNA-UHFFFAOYSA-N 280.327 3.616 30 20 CHED OC1=Nc2cc(N=C(O)N3CC[C@H]4CCC[C@@H]43)ccc2CC1 330274278 JVQNKFKYBHLOHL-DOMZBBRYSA-N 299.374 3.641 30 20 CHED CCCCCCCCN1C(=O)SC(C)(C)C1=O 190103005 KOBNDNHPSHBGLS-UHFFFAOYSA-N 257.399 3.821 30 20 CHED CC[C@@H]1CC[C@@H](C(O)=Nc2c(-c3ccccc3)n[nH]c2C)O1 330191732 XGUQETXIKAGPIX-KGLIPLIRSA-N 299.374 3.931 30 20 CHED C[C@@H]1[C@@H](NC(=O)[C@@H](C#N)CCc2ccccc2)CCC[C@H]1C 331203499 RJNTYVNHDFIDKU-ATLSCFEFSA-N 298.430 3.700 30 20 CHED CCOCc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 437653977 VQSPPJDGCOZIRV-UHFFFAOYSA-N 295.342 3.739 30 20 CHED C=C(C)C(C)(C)C(=O)N1Cc2ccc(OC)cc2C2(CC2)C1 335219396 BQACTYQNXDRJIB-UHFFFAOYSA-N 299.414 3.671 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccccc1OC(F)F 430760193 INABDJZVXMLSIX-LLVKDONJSA-N 280.318 3.632 30 20 CHED Cc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc1F 433125445 KEIBJJWPZNOFQL-OAHLLOKOSA-N 296.345 3.845 30 20 CHED O/C(=N/C[C@@H]1CCC2(CCCCC2)O1)Nc1ccccc1 330046309 IQQLBQULCMZABA-HNNXBMFYSA-N 288.391 3.894 30 20 CHED C[C@@H]1CCCC[C@H]1CNc1nc(Cl)c(C#N)s1 235239459 CUHLBUMLZAZFMC-BDAKNGLRSA-N 269.801 3.906 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 96765837 QFUATAZEPSXBFN-GHXNOFRVSA-N 276.339 3.520 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2ncc(C#N)cc2Cl)C1 524166489 JXWCKPOEXCTVHN-CQSZACIVSA-N 297.789 3.909 30 20 CHED CC#CCCOc1ccc(Oc2ccccc2)nc1 431878967 SVSKCWFXWYCDHE-UHFFFAOYSA-N 253.301 3.666 30 20 CHED Cc1ccnc(NCc2cc(C#N)ccc2F)c1Cl 342263372 DZSQNURVTYFEHR-UHFFFAOYSA-N 275.714 3.666 30 20 CHED CCc1noc(C)c1C[S@@](=O)CCCCC(C)(C)C#N 436111293 YILVVXRWTBVHFB-FQEVSTJZSA-N 296.436 3.514 30 20 CHED Cc1ccnc(N[C@@H]2CCOc3c(Cl)cccc32)c1C#N 343534422 RRTVPGQLOHQUHD-CQSZACIVSA-N 299.761 3.851 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCc2c(F)ccc(F)c21 348210114 BTLHKXQYKIZYQJ-CQSZACIVSA-N 278.346 3.872 30 20 CHED Cc1c(C(=O)N(CCC#N)C(C)C)oc2c(C)cccc12 523281228 GJKYUQSOFLHVER-UHFFFAOYSA-N 284.359 3.814 30 20 CHED Cc1ccnc(NCc2ccc(OC(C)C)cc2)c1C#N 343437019 NACLFQJSKZTOFQ-UHFFFAOYSA-N 281.359 3.661 30 20 CHED N#CC[C@H](Cc1nc([C@@H]2CCCS2)no1)c1ccccc1 346952961 BDOZBKCEGWUQAN-KGLIPLIRSA-N 299.399 3.878 30 20 CHED COc1ccc(-n2ccnc2S[C@@H]2CC[C@H](C#N)C2)cc1 430133969 FTAPPZFMFSLAGQ-SWLSCSKDSA-N 299.399 3.665 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(C(F)(F)F)c1 600118239 SPXZBCSDTFPGKZ-MRVPVSSYSA-N 262.300 3.501 30 20 CHED CC1(C)C(C(=O)N[C@H](CCC#N)c2ccccc2)C1(C)C 439661734 OKRUNHQPGVMUHU-CQSZACIVSA-N 284.403 3.830 30 20 CHED Cc1cc(N2CCC[C@H]2c2ccccc2)cc(C#N)n1 341416360 BMAAMWBHUDBDEX-KRWDZBQOSA-N 263.344 3.603 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc2ccccc2c1O 255169686 WAIWXAQVEXPVPP-NTMALXAHSA-N 292.338 3.658 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2cc3ccccc3[nH]2)n1 433444225 QDKUPMDKJJWOKB-UHFFFAOYSA-N 290.370 3.706 30 20 CHED C[C@H](C#N)CNCc1ccc(Cl)c(C(F)(F)F)c1 183820319 UFCBOJLYUMRGCL-MRVPVSSYSA-N 276.689 3.608 30 20 CHED C=CCN(CCC#N)Cc1cscc1C(F)(F)F 430100772 GWFKATFTZFFZGU-UHFFFAOYSA-N 274.311 3.669 30 20 CHED C[C@H]1CCCC[C@@H]1OCCSc1ccc(C#N)cn1 603724628 JSJXFQKATJQJOY-JSGCOSHPSA-N 276.405 3.641 30 20 CHED CCS[C@@H]1CCC[C@@H](NC[C@H](C)CCC#N)C1 602567901 LUQVSEWCIPAZAN-MGPQQGTHSA-N 254.443 3.580 30 20 CHED CCC1CCC(CN[C@H](C)CC2(C#N)CCOCC2)CC1 602550256 LBWQWAAUQVIEDF-KLAILNCOSA-N 292.467 3.891 30 20 CHED Cc1ccnc(NCc2c(C)oc3ccccc23)c1C#N 341977956 AWJHVKSUFRZZSB-UHFFFAOYSA-N 277.327 3.928 30 20 CHED C=CC1CCN([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 522083905 ZXNRMUQYALNOQI-HNNXBMFYSA-N 286.419 3.528 30 20 CHED CCc1oc2ccccc2c1/C=C\C(=O)c1cn(C)nc1C 255891005 WDODUBIEIHJAFD-KTKRTIGZSA-N 294.354 3.933 30 20 CHED C=C(C)COCCNCc1cnc(C2CCCCC2)s1 532139525 NCKGAPXOLZONHW-UHFFFAOYSA-N 294.464 3.873 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 448593971 HOMHNQYFWSQONU-GOEBONIOSA-N 270.376 3.908 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)C1CCC(C(F)(F)F)CC1 449523142 WRNMWJAGZDCIMV-MGYRSQIZSA-N 291.357 3.677 30 20 CHED CCCCOCCCN[C@H](CC)c1ccc(C#N)cc1 447514046 AOBFCKGAZJRYBA-QGZVFWFLSA-N 274.408 3.806 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1cccc(C#N)c1 444450475 RQBKURGMYQFCFA-UHFFFAOYSA-N 275.311 3.600 30 20 CHED COC[C@@H](NC[C@@H](C)CCC#N)c1ccc(Cl)cc1 602641942 VWTJUNFOPJENDJ-SWLSCSKDSA-N 280.799 3.557 30 20 CHED CCC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)cc1 533086459 GUOSYMBWDWLVDY-MRXNPFEDSA-N 256.393 3.959 30 20 CHED Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)ccn1 447440226 KGZDZBWQRJXMJJ-UHFFFAOYSA-N 293.370 3.565 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(Sc2ccccn2)o1 351400062 QVTIQOMKDOAWIB-GFCCVEGCSA-N 287.388 3.560 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 539435386 WNPIULXJMXXPDK-SNVBAGLBSA-N 296.754 3.723 30 20 CHED c1sc(C2CCCC2)nc1CON=C1CCC1 265439399 HWNWXMPFUMSLHR-UHFFFAOYSA-N 250.367 3.857 30 20 CHED C=C[C@@H]1OCC[C@H]1NC1CC(c2ccc(Cl)cc2)C1 449521581 SJSJCLULYDFIJQ-GDVJOBBMSA-N 277.795 3.519 30 20 CHED C[C@@H](NC1CC(OC(C)(C)C)C1)c1cccc(C#N)c1 611519682 CBKAXVXXQBZWKV-UWTIGNOOSA-N 272.392 3.555 30 20 CHED C=C(CC)CNC1CCN([C@H]2CCCC[C@@H]2C)CC1 449734680 NXRZJTDRHCFOGT-RDJZCZTQSA-N 264.457 3.585 30 20 CHED COCCC[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1 442865956 JUGRHGXVBNSMFC-INIZCTEOSA-N 290.382 3.577 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccccc2CC)C1 617782325 CKWQPVIPVHBBMA-CQSZACIVSA-N 257.377 3.677 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)NCc1cc(C#N)ccc1F 449967054 JPCBKZHGXXGNGX-ZFWWWQNUSA-N 288.366 3.530 30 20 CHED Cc1csc(N(C)C(=O)C[C@H](CC#N)c2ccccc2)n1 355822924 FAZPZQFVSYFAFQ-AWEZNQCLSA-N 299.399 3.502 30 20 CHED C=CCOc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1 359461767 FCZHISXNBDMSSG-QGZVFWFLSA-N 297.398 3.656 30 20 CHED CC(C)(C)CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 265580721 XQAGUENMZQWIOW-UHFFFAOYSA-N 284.403 3.876 30 20 CHED Cc1cccc2c1CCN2Cc1ccc(F)c(C#N)c1 610719277 DRPODZLYRAEERL-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 264438860 BKWQBWVHPWNTBN-UHFFFAOYSA-N 275.348 3.833 30 20 CHED C=CCCC1(C(=O)N2CCc3cccc(C)c3C2)CC1 357118921 FKAKANCRLQVUMN-UHFFFAOYSA-N 269.388 3.626 30 20 CHED COc1cc(C)c([C@H](C)N2CCC(C)(C#N)CC2)cc1C 614964047 UCEMKBXJQKIQDO-HNNXBMFYSA-N 286.419 3.999 30 20 CHED N#CCC[C@H](NCc1ccncc1Cl)c1ccccc1 611406995 RCZQPKDSLADAFY-INIZCTEOSA-N 285.778 3.870 30 20 CHED CC(C)CC1(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 610684510 KOSYXSHBPLCCGS-AWEZNQCLSA-N 299.418 3.745 30 20 CHED CN(CC1CC1)C(=O)c1ccc(C#Cc2ccccc2)cc1 614724087 HJODBFLKOOZENZ-UHFFFAOYSA-N 289.378 3.568 30 20 CHED CCc1cccc(C)c1NC(=O)N1CCC[C@@](C)(C#N)C1 612290619 FYHJJFNGJJEZIO-KRWDZBQOSA-N 285.391 3.715 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1Sc1ccc2c(c1)CCC2 354656363 OPUPOXAVWAGNMP-UHFFFAOYSA-N 297.339 3.501 30 20 CHED C=C(CC)CNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 456815316 XUACJJLPLGVRSS-GFCCVEGCSA-N 299.336 3.966 30 20 CHED C=CCCC(=O)NC[C@H]1CCC[C@H]1c1ccccc1 452406587 KSBGBEDOWRRSSC-CVEARBPZSA-N 257.377 3.653 30 20 CHED N#Cc1ccc(-c2cccc(CNC3CCOCC3)c2)s1 610271088 YCIDBMVWSXJGBY-UHFFFAOYSA-N 298.411 3.555 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2NCC(C)(C)C#N)cc1 613540365 OIOREAJSYLFUGQ-CVEARBPZSA-N 256.393 3.771 30 20 CHED CC(C)c1ccc(C[C@@H](C)Nc2cc(C#N)ncn2)cc1 617963461 PFXLMLGBZAYADZ-CYBMUJFWSA-N 280.375 3.515 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](c1ccccc1)C(F)F 455666387 ZZUYNFMFQUGJRP-ZIAGYGMSSA-N 294.345 3.743 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCC[C@H]1CCC)OCC 542589631 HYUVAZMUGVJCEK-CABCVRRESA-N 267.413 3.539 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 614989574 NBKPLUOCOWYTPU-IIAWOOMASA-N 284.403 3.952 30 20 CHED OCC1(SCC#Cc2ccc(F)cc2)CCCCC1 451053553 DWNPCIOTNULLFT-UHFFFAOYSA-N 278.392 3.606 30 20 CHED CCC(CC)CN(CCC#N)c1ncnc2c1CCCC2 611104271 QXRBVKIFKIDHFE-UHFFFAOYSA-N 286.423 3.512 30 20 CHED CCCCOc1ccccc1CN1CCC(CC#N)CC1 545242180 IASOSXYHKHXGBY-UHFFFAOYSA-N 286.419 3.991 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 617788352 HCMOYPYXLLXZLJ-LBPRGKRZSA-N 295.329 3.716 30 20 CHED C=C(CC)CN[C@@H](C)c1ncc(-c2ccccc2)o1 544471259 NBLSEHQOLMCHLW-ZDUSSCGKSA-N 256.349 3.958 30 20 CHED C=CCSCCN[C@@H]1c2cc(F)ccc2C[C@H]1C 541905564 PKORZBUFLRBKCS-ABAIWWIYSA-N 265.397 3.568 30 20 CHED C=C(C)CCNC(=O)N(C)Cc1c(F)cccc1Cl 455306037 FVFNXCJFJUBGBT-UHFFFAOYSA-N 284.762 3.587 30 20 CHED Cc1ccc(C(C)(C)CC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 452561555 BVRWIFIWDANIRO-RDJZCZTQSA-N 298.430 3.861 30 20 CHED CC[C@H](NCc1ccc(Cl)cc1C#N)C1CCOCC1 360139035 IYRKJSZJUMTLID-INIZCTEOSA-N 292.810 3.506 30 20 CHED C[C@H](C#N)CNCc1ccc(-c2ccccc2)cc1F 544599983 UYYIXSNZDNEEOP-CYBMUJFWSA-N 268.335 3.742 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1ccccc1 273881775 LUJFEVXDHOGYFN-DOTOQJQBSA-N 287.403 3.721 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl 455703211 MBILNLSLMKLRPH-GHMZBOCLSA-N 293.798 3.962 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCCS2)CCCC1 450544144 MRGJISCCCOJRRM-ZDUSSCGKSA-N 267.438 3.525 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1c1ncccc1C#N 450598986 KBOCXOYADUBXCB-JKIFEVAISA-N 277.371 3.724 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccccc2C)no1 275394246 CVGMDFINUJCFCI-MRXNPFEDSA-N 272.348 3.525 30 20 CHED CC(C)(C#N)CC(=O)N1CCCCCc2ccccc21 362596504 NSCQLKFQMMCWPZ-UHFFFAOYSA-N 270.376 3.686 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2ncc(C#N)cc2Cl)C1(C)C 361624287 YKZMUAZHRXMOGD-STQMWFEESA-N 293.798 3.611 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cnn(CCC(C)C)c1C 455004544 APNYZEIFZSLOAF-UHFFFAOYSA-N 292.427 3.571 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1CCC(F)(F)F 270288586 AEHZZSZRLSNHOV-LLVKDONJSA-N 285.309 3.876 30 20 CHED N#Cc1ccc(C(=O)N2CC[C@H]2c2ccccc2)cc1Cl 547971706 BHEYIWPGAZFGCZ-INIZCTEOSA-N 296.757 3.799 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(N2CCCC2)c1 276166622 HXYPMGJMAWUCJT-KRWDZBQOSA-N 272.392 3.828 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccn(C(CC)CC)n1 620858059 UPEWMCOFTGTXOT-UHFFFAOYSA-N 277.412 3.719 30 20 CHED Cc1cccc([C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)c1 542319759 RNMYQFMDMVHBFG-KRWDZBQOSA-N 294.373 3.995 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc3nccn3c2)CCCC1(C)C 278360122 KDENJXZCFZAXQO-HNNXBMFYSA-N 297.402 3.541 30 20 CHED Cc1ccc(C2(CNC(=O)C3(C#N)CCC3)CCC2)cc1C 279201237 VOXWRBXOFFMQMV-UHFFFAOYSA-N 296.414 3.535 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(OC2CCCC2)cc1 465151597 APGBAABZSYHOPJ-GFCCVEGCSA-N 274.364 3.704 30 20 CHED C=CCCN(C)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 466963827 GXYLDHUSVMFSSL-VXGBXAGGSA-N 292.345 3.573 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)O[C@H]2CCC[C@H](C)C2)CC1 463838813 VQFMFHOTDNUFMG-XIRDDKMYSA-N 293.451 3.785 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2occc2c1 626915829 YARBOKJUZSHVRO-GFCCVEGCSA-N 258.321 3.909 30 20 CHED C[C@H](NC[C@@H]1CCC(F)(F)C1)c1ccc(C#N)c(F)c1 281282977 ZJPFLXZNLPACCQ-WDEREUQCSA-N 282.309 3.783 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](CC)CC1 460809350 MWQZLVIRFWOQMQ-CQSZACIVSA-N 288.439 3.748 30 20 CHED C=CC[C@H](C)[C@@H](C)NCC(C)(C)c1ccc(C)cn1 624112616 DUNPNNPEQDCHQV-LSDHHAIUSA-N 260.425 3.858 30 20 CHED CC[C@H](c1ccncc1)N(C)c1nc(Cl)c(C#N)s1 287296920 MLNLYZNNXVTPFT-SNVBAGLBSA-N 292.795 3.651 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@@H]1C1CC1)c1ccccc1 372859505 VHXHMYDQOFRGNZ-WMLDXEAASA-N 269.388 3.747 30 20 CHED C=CC[C@H](CC)NC(=O)N1Cc2ccccc2C(C)(C)C1 466387521 FDQHSWSXLGKBCA-HNNXBMFYSA-N 286.419 3.844 30 20 CHED C=CCCN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 467080555 GRYVCRUVUVPYAI-NSHDSACASA-N 263.406 3.521 30 20 CHED C#CCCCCc1nc(C2(c3cccc(OC)c3)CC2)no1 289135030 NIZVXEIATUBLOF-UHFFFAOYSA-N 296.370 3.504 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1OC(C)(C)C 280734658 WGPJIJKIETUSBR-UHFFFAOYSA-N 298.342 3.889 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(C1CC1)C1(C#N)CCC1 556453478 YZRCLRZROFRKJX-UONOGXRCSA-N 274.408 3.640 30 20 CHED CC#CCCN1CCC(=Cc2cccc(OC)c2)CC1 462314033 MSOAENGYZAVVES-UHFFFAOYSA-N 269.388 3.588 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc2[nH]ccc2c1 282285114 YAQOYVPMGWKMHX-UHFFFAOYSA-N 282.387 3.595 30 20 CHED C=CCC(C)(C)c1noc(-c2ccn(C3CCCC3)n2)n1 551494412 WTWPCHJZJCHGMI-UHFFFAOYSA-N 286.379 3.902 30 20 CHED C=CCCCCNC(=O)c1ccc(-n2cccc2)cc1 471677835 QYXHPKNYPFGPRG-UHFFFAOYSA-N 268.360 3.563 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(Cl)c(C#N)c1 551875710 FCTVUDGUVBTZBI-UHFFFAOYSA-N 297.745 3.704 30 20 CHED C=CCCCCNC(=O)N1CCCc2ccccc2C1 474083105 SVYLKNVWBRRFLU-UHFFFAOYSA-N 272.392 3.501 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(SCC)c1 806270054 OOKMQVWGPZHBDE-LBPRGKRZSA-N 276.405 3.722 30 20 CHED N#CCCCC(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 293275486 LUXFKLUDWVJTLL-SDDRHHMPSA-N 289.404 3.679 30 20 CHED N#Cc1ccccc1CNc1ccc([C@@H]2CCOC2)cc1 293056684 RXYMOFAOIRHDIE-QGZVFWFLSA-N 278.355 3.674 30 20 CHED CC1(C)CC[C@H]1NC(=S)Nc1ccc(C#N)c(Cl)c1 806588860 DVMGRPXSCUKBCV-GFCCVEGCSA-N 293.823 3.687 30 20 CHED CC(=NN[C@@H]1CCSC1)[C@@H](C)c1ccc(Cl)cc1 807998758 ANXUFXUUFAJWJV-QMTHXVAHSA-N 282.840 3.915 30 20 CHED C=C(C)[C@H](NC(=O)NCC1(C)CC1)c1ccc(F)c(F)c1 477055552 GQMHKYTWUOXCHI-AWEZNQCLSA-N 294.345 3.681 30 20 CHED C=CCCCCN[C@H](CO)c1ccc(C(F)(F)F)cc1 569899623 DLTIKBGUVIXCME-CQSZACIVSA-N 287.325 3.685 30 20 CHED C=CCC(F)(F)c1nc([C@@H](C)c2cccc(OC)c2)no1 645534584 AFMKDKYGBUHJMJ-JTQLQIEISA-N 294.301 3.898 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H]1c1ccc(C)cc1)C(C)(C)C 808315203 WUTRWENJTUXTRA-IRXDYDNUSA-N 298.430 3.889 30 20 CHED C[C@H](C#N)OCCN1Cc2ccccc2-c2ccccc21 801930591 RUJWCFIEYNXNSD-CQSZACIVSA-N 278.355 3.602 30 20 CHED CCCSCC(=O)OCc1ccccc1C(C)(C)C#N 801324150 LJUYZVPFYQVAHP-UHFFFAOYSA-N 291.416 3.674 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N(C)c1cccc(C#N)c1 563145608 DENPZLZPJPDSTN-UHFFFAOYSA-N 293.370 3.662 30 20 CHED CCSc1cccc(F)c1NC(=O)N(C)[C@H](C)CC#N 290063091 INOBQCNIPZOCOH-SNVBAGLBSA-N 295.383 3.704 30 20 CHED C=C(C)Cn1c(C)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 292745430 AJZXPTVRTSNTJC-RHSMWYFYSA-N 296.418 3.545 30 20 CHED C[C@H](C#N)OCCN[C@H]1CC(C)(C)CCc2ccccc21 801953687 UMZBMHYXGBZSEL-PBHICJAKSA-N 286.419 3.608 30 20 CHED CCOc1ccc(/C=N\CCCC(C)(C)COC)c(O)c1 806551773 WORSPSVEBACKBO-PDGQHHTCSA-N 293.407 3.663 30 20 CHED N#CCCC1CCN(c2c(Cl)cccc2C#N)CC1 563885487 UJNJHELTCMRKSI-UHFFFAOYSA-N 273.767 3.732 30 20 CHED CCc1cc(NN=C2CC[C@H]2CC)nc(-c2ccccn2)n1 807970005 RPESFBHNJUEEDA-GFCCVEGCSA-N 295.390 3.689 30 20 CHED C=CCCCCCCCCNC(=O)[C@@H]1CCCS1 805278069 QYZXLNLGBXQINK-AWEZNQCLSA-N 269.454 3.915 30 20 CHED C=CCOCCSc1nc(C)c(Cc2ccccc2)[nH]1 645027478 JHKXUOMHYPTKNE-UHFFFAOYSA-N 288.416 3.604 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](OC)[C@H](C)CC)c1 475612318 NVHRILRQZYJSHZ-CJNGLKHVSA-N 291.391 3.641 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cc[nH]n1 814811465 GFTUNUWCPDWJAX-LBPRGKRZSA-N 270.380 3.608 30 20 CHED Cc1cc([C@H](C#N)C(=O)c2cccc(Cl)c2C)nc(C)n1 489882323 HBXUUQDWOQBCTK-ZDUSSCGKSA-N 299.761 3.545 30 20 CHED CCc1nocc1CSCc1cccc(C#N)c1F 569018953 FXYXPMKGDUCIJK-UHFFFAOYSA-N 276.336 3.681 30 20 CHED COCC(Cc1ccccc1)=NN[C@H](C)c1ccccc1 814815396 WKMJRPVDDUHHHL-OAHLLOKOSA-N 282.387 3.582 30 20 CHED C=CCC(C)(C)c1noc(C2=NO[C@@H](c3ccccc3)C2)n1 815705184 AVNHRXLLWWEPMO-CQSZACIVSA-N 297.358 3.789 30 20 CHED Cc1cc2c(cc1C)C(=NNc1ccc(Cl)nc1)CO2 814859206 PGZQIXZHTRBLNM-UHFFFAOYSA-N 287.750 3.560 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1sccc1OC 812242787 VEYVGOZKPVMQHQ-HWKANZROSA-N 292.331 3.801 30 20 CHED CC(CN1CCCCCC1)=NNc1ccc(F)c(F)c1F 814945690 LMHAMJNADFWFES-UHFFFAOYSA-N 299.340 3.768 30 20 CHED C#CCON=CC(Cc1ccccc1)Cc1ccccc1 812234733 STPPJGDBRCSMAF-UHFFFAOYSA-N 277.367 3.724 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)[C@H](C)CCCCC(=O)O 814937929 RUUXTGIOIDFVIZ-DGCLKSJQSA-N 270.417 3.668 30 20 CHED CC(=NNc1cccc(C)c1)[C@H](C)NC(=O)OC(C)(C)C 811629008 HEJKMHMENPHQGJ-LBPRGKRZSA-N 291.395 3.696 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H](OC)C[C@H]1C 811926403 CKHIFTIYGMJAQN-HZPDHXFCSA-N 296.455 3.722 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cnn(C(CC)CC)c1CC 485192774 FKZLRPSCKXDUPU-GFCCVEGCSA-N 292.427 3.893 30 20 CHED C=CCNc1cc(Cl)ccc1OC[C@H]1CCCCO1 488138018 WEDHCKCFKDOEFB-CYBMUJFWSA-N 281.783 3.886 30 20 CHED Clc1ccc(NN=Cc2nc3c(s2)CCCC3)cn1 814859227 PZQLSDILSKTKNZ-UHFFFAOYSA-N 292.795 3.516 30 20 CHED C[C@H](NN=C1CCC(C(F)(F)F)CC1)c1ccncc1 819817242 YVKAFHKVNZHYHK-NUHJPDEHSA-N 285.313 3.841 30 20 CHED CCCOc1ccc(/C=C/c2ncccc2C#N)cc1OC 486073307 HCZLHKNWBRYLEJ-SOFGYWHQSA-N 294.354 3.921 30 20 CHED CC(=NNc1ncccc1[N+](=O)[O-])c1cccc(C2CC2)c1 814870429 CAWASAIREYFHTG-UHFFFAOYSA-N 296.330 3.703 30 20 CHED CC(=NOCCOC(C)C)c1ccc(F)cc1Cl 812237509 DRLHDDGIIHPERG-UHFFFAOYSA-N 273.735 3.645 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc2c(c1)CCC=C2 572075037 FAXBFFYLOVCWTO-SFHVURJKSA-N 282.387 3.704 30 20 CHED Cc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)ccc1-c1ccncc1 574523792 KEXKWKPFBVZWFY-ACJLOTCBSA-N 291.354 3.545 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(Cc2cc3ccccc3s2)no1 579082049 OQKBVKHZEFGSKA-HWPZZCPQSA-N 295.367 3.676 30 20 CHED CC[C@H](NC[C@H](C)CN1CCCCC1)c1ccc(C#N)cc1 572708174 WRNODFJFJZSGDF-LPHOPBHVSA-N 299.462 3.721 30 20 CHED CSCc1cnc(C=NOCc2ccc(F)cc2)s1 814903778 ZZIONNFWYPFKBI-UHFFFAOYSA-N 296.392 3.696 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(F)cc1 819367785 JVYUKSDFCABHDF-OALUTQOASA-N 299.389 3.636 30 20 CHED C=C[C@@H]1CCCCN1Cc1nnc(Cc2ccccc2C)o1 489462872 LGIUFSIITJMXFE-MRXNPFEDSA-N 297.402 3.509 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](c2ccc(CC)cc2)C1 817101235 FWYSBGGJSSNLNE-HNNXBMFYSA-N 293.357 3.776 30 20 CHED CCCCCCCCC(=O)N1CCCN(C(C)C)CC1 727806846 HETUDNKRLCAQBC-UHFFFAOYSA-N 282.472 3.680 30 20 CHED Cc1csc(NC(=O)N2CCC[C@@H]2CC(C)C)c1C#N 573741700 SUKCOOXADSZSRQ-GFCCVEGCSA-N 291.420 3.971 30 20 CHED c1ccc2c(c1)CCC(=NNc1ncnc3sccc13)C2 725819309 OLKVOCKGZLGSJW-UHFFFAOYSA-N 294.383 3.648 30 20 CHED CCc1ccsc1C(=O)N[C@](C)(C#N)C1CCCCC1 576542555 KTTPGQXTPACTCB-MRXNPFEDSA-N 290.432 3.903 30 20 CHED C=CCC[C@H](NCc1c(OC)cccc1OC)C1CC1 658119490 OGFFWDACYUFGIK-HNNXBMFYSA-N 275.392 3.538 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1 823244242 ULCWKJJMHBHCRA-UHFFFAOYSA-N 272.270 3.641 30 20 CHED C=CCC[C@H](CO)NCc1cnc(C2CCCCC2)s1 570667666 PKIDCBKQQIXUKW-CQSZACIVSA-N 294.464 3.608 30 20 CHED COc1cc(OC[C@@]2(C)CC2(Cl)Cl)ccc1C#N 829493396 SVAJQPVLCBAYBN-GFCCVEGCSA-N 286.158 3.530 30 20 CHED N#CCCN[C@H]1CCCC[C@H]1c1ccccc1Cl 825720136 ASMGKEPNSNSIAM-ZFWWWQNUSA-N 262.784 3.869 30 20 CHED C=C(C)CCc1noc([C@@H](CC)NC(=O)OC(C)(C)C)n1 496763277 KEPNQXFLHDNSMA-LLVKDONJSA-N 295.383 3.554 30 20 CHED C=CCCC(=O)Oc1ccccc1Oc1ccccn1 726504965 SEAACOBPIGNLAJ-UHFFFAOYSA-N 269.300 3.746 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C1CC1 665899595 ROVRVWGJVDJHPY-QZTJIDSGSA-N 298.430 3.758 30 20 CHED CC[C@H](C)C(=O)N(O)Cc1cccc2ccccc12 901371294 SYNBXVWHNIIUGQ-LBPRGKRZSA-N 257.333 3.604 30 20 CHED C=CCCCCN[C@H](COC)c1ccc(Cl)cc1 494786876 HMEFGCQZKDFKQL-OAHLLOKOSA-N 267.800 3.973 30 20 CHED CC[C@H](NCc1nc(C)cs1)c1cccc(C#N)c1 902735725 IVHHNWMKRUTSNF-AWEZNQCLSA-N 271.389 3.564 30 20 CHED C=C(CC)CNC(=O)CCCCCc1ccc(O)cc1 665569583 QKJZOPGOMIMAQW-UHFFFAOYSA-N 275.392 3.578 30 20 CHED Cc1nn(CC(F)(F)F)c(C)c1-c1cccc(C#N)c1 904767473 SPILJRMYYDCDLD-UHFFFAOYSA-N 279.265 3.601 30 20 CHED C=CCCC[C@H](NCc1cc(C)c(C)cc1C)C(=O)O 900067128 DKUVISSQMOIEDV-INIZCTEOSA-N 275.392 3.511 30 20 CHED CCC(CC)NN=Cc1cccc(C(F)(F)F)c1 734366594 YOPVJSMKUXUPOP-UHFFFAOYSA-N 258.287 3.818 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(Cl)c(SC)c1 491712498 ZWIZXFQYUDTIRT-SECBINFHSA-N 282.796 3.547 30 20 CHED C=CCCCOC(=O)COc1c(Cl)cccc1Cl 735528212 MZHWFMFZQWMVTE-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)Cc1ccccc1Cl 735095486 USZLZZLDWSDRFB-VXGBXAGGSA-N 280.799 3.535 30 20 CHED Cc1cccc(F)c1NC(=O)/C=C\c1ccccc1C#N 588387340 QDPQPLDXFMEOSR-KTKRTIGZSA-N 280.302 3.658 30 20 CHED C#C[C@H](NC1CCC(OC2CCCC2)CC1)C(C)C 491680680 JMEREKZMEWDDPY-PREGVCBESA-N 263.425 3.504 30 20 CHED C=C[C@](C)(CCOC)COC(=O)C1=CC[C@H](C)CC1 835336972 KYMMLRAVKATKIX-XJKSGUPXSA-N 266.381 3.505 30 20 CHED CCCCC(=N)NOCCCCC1(C#N)CCC1 902700943 AHWRVIMNORBPLI-UHFFFAOYSA-N 251.374 3.539 30 20 CHED O=C1/C(=C\c2nc3c(s2)CCCC3)Cc2cccc(O)c21 834444534 GKGQMMUCSHMZOV-LUAWRHEFSA-N 297.379 3.550 30 20 CHED C=CCCCCCN[C@H](c1ccccc1)c1cncnc1 584063513 TTWOGIYQAALPTM-GOSISDBHSA-N 281.403 3.902 30 20 CHED N#Cc1cccc(COC(=O)c2cc3cc(F)ccc3o2)c1 735548558 KGCXLLDPCZMUQJ-UHFFFAOYSA-N 295.269 3.801 30 20 CHED Clc1ccc(C=NNc2cnnc3ccccc23)s1 733748025 BWNTZURESBKIJG-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CCc1nocc1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 834434994 ZDHGKCIXYFOYBC-GULXKOIASA-N 279.339 3.937 30 20 CHED C=CCCCN(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 582610477 XRXDXZWPYSQNIL-MRXNPFEDSA-N 292.492 3.776 30 20 CHED N#CC1(CCCCSCc2ncccn2)CCC1 901788495 XBIQZXAOHZZAAH-UHFFFAOYSA-N 261.394 3.574 30 20 CHED C=CCC1(C(=O)OCc2cncc(F)c2)CCCCC1 838153725 KZJZKCYIWXQLBO-UHFFFAOYSA-N 277.339 3.791 30 20 CHED C=CCOC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 730638993 ZZLYREQQHQQNDV-VIFPVBQESA-N 273.159 3.901 30 20 CHED CCS[C@H]1CCCCN(C(=O)CCCCCC#N)C1 588157906 NIFDGRALCMYAHP-AWEZNQCLSA-N 282.453 3.595 30 20 CHED CCc1cc(C#N)c(NC(=O)CCCC2CC2)s1 589755346 KFIPBSCQZRBXCZ-UHFFFAOYSA-N 262.378 3.701 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1cnn(C)c1Cl)C2=O 834434728 RPNMXRQPZDLJER-JLATVTFTSA-N 286.762 3.765 30 20 CHED CC[C@H](CC#N)OC(=O)/C=C\c1nc2ccccc2s1 588558097 AJCYQSSLRXLEII-SKVAFPRGSA-N 286.356 3.545 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](COC)C1 739756639 JLIYAYUSHOCWPZ-OAHLLOKOSA-N 269.429 3.622 30 20 CHED C=CC(C)(C)COC(=O)c1cc2ccncc2s1 835722758 VYEYZVUWFNODOM-UHFFFAOYSA-N 261.346 3.665 30 20 CHED CCc1cccc(CC)c1NC(=O)[C@H](C)ON=C1CCC1 735489935 KWTDMLHBGXGSSD-LBPRGKRZSA-N 288.391 3.695 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)CC(C)(C)C1CC1 837740790 BYTJHTHFBNYYKH-UHFFFAOYSA-N 266.381 3.527 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CCSc2ccc(F)cc21 837320073 CRBKOLFJFDTGIA-ZDUSSCGKSA-N 291.391 3.528 30 20 CHED N#CCc1ccc(COc2ccnc3c2CCCC3)cc1 594493217 HNQAXEMJLLPFOZ-UHFFFAOYSA-N 278.355 3.605 30 20 CHED C[C@@H](CCC#N)N1CCC2(CCc3ccccc3O2)CC1 595829656 XZBQJGSGHSDNOS-HNNXBMFYSA-N 284.403 3.538 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1ccccc1C 741765772 IZODQPSGRTZMEC-UHFFFAOYSA-N 274.755 3.583 30 20 CHED COc1ccc(/C=C2/CCc3c(O)cccc3C2=O)cc1 742434545 JOVPOTHNJZBXKD-QBFSEMIESA-N 280.323 3.613 30 20 CHED C=CCN(C(=O)NCc1ccc(Cl)s1)C(C)C 918070843 CCZQYFPXPAESOU-UHFFFAOYSA-N 272.801 3.508 30 20 CHED Cc1ccccc1C1(NCc2ccc(F)c(C#N)c2)CC1 592139833 JQLIZAPXSAQAHL-UHFFFAOYSA-N 280.346 3.785 30 20 CHED CC1(C#N)CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 597487415 SSEBGXPBLJUHAO-WKILWMFISA-N 288.435 3.745 30 20 CHED C=C[C@@H](C)NC(=O)N(Cc1ccccc1Cl)CC1CC1 672464082 JZFZWWWKCPZTIW-GFCCVEGCSA-N 292.810 3.836 30 20 CHED CC(=NNc1cccnn1)c1cc2cc(C)c(C)cc2o1 749164843 PWRNRUYVKADBKK-UHFFFAOYSA-N 280.331 3.676 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 592586852 AWMHTJYIHZMBRS-QWHCGFSZSA-N 286.375 3.578 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C\C1CCCC1 843788729 NKBXCZAMLIKTLL-HJWRWDBZSA-N 262.397 3.521 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)NC(C)(C)CCC 743201819 MKXSXHMQCFWMII-UHFFFAOYSA-N 292.354 3.538 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 593743078 BVWFMBMRXLBJDJ-UXIGCNINSA-N 290.794 3.642 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)CC1(C#N)CCCCC1 596734830 BCCGJSBNNSIVQJ-GJZGRUSLSA-N 276.424 3.888 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)c1 597750893 FNSJEFLWWOWSOH-FVQHAEBGSA-N 282.387 3.908 30 20 CHED C[C@H](CSc1ccccc1)N(C)c1ccc(C#N)cn1 593481766 OMZSJRATSSCOTM-CYBMUJFWSA-N 283.400 3.570 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccco1 842327926 MBNWCPFHIKGHFC-TUKIKUTGSA-N 281.311 3.559 30 20 CHED Cc1cc(C)c(NN=Cc2ccccc2[N+](=O)[O-])c(C)c1 916339229 HSSMCTNEBBRLQJ-UHFFFAOYSA-N 283.331 3.966 30 20 CHED CC[C@@H]1CCC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 740763280 FGKDOUKMUXFLBT-GAXBVXIKSA-N 276.336 3.688 30 20 CHED C=C1CCN(C(=O)/C=C(/C)c2cccc(Cl)c2)CC1 749985573 DEWMSBYFHBNYLL-RAXLEYEMSA-N 275.779 3.922 30 20 CHED C1=CC[C@@H](C=NNc2ncnc3sc4c(c23)CCC4)CC1 916309111 FLEUWPOODSQNSH-LLVKDONJSA-N 298.415 3.934 30 20 CHED Cc1noc(C)c1C=NNc1cccc2ccccc12 747060508 UKCMETSOKMZBGT-UHFFFAOYSA-N 265.316 3.891 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)Oc2ccc(F)cc21 749747400 YKKCTMJJHBDUTQ-VGOFMYFVSA-N 258.223 3.581 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H](C)c1ccccc1C(F)(F)F 594088001 FYNGHDQROHYVOT-GHMZBOCLSA-N 298.308 3.569 30 20 CHED C#Cc1ccc(-c2nc(C3CCCCCC3)no2)cn1 843317031 FDVXQNKDWFJLJY-UHFFFAOYSA-N 267.332 3.551 30 20 CHED C=CCOc1cccc(C=NNc2ccc(C#N)cc2)c1 915963219 WRTGCKXYSNRCBE-UHFFFAOYSA-N 277.327 3.569 30 20 CHED CCC(C)=NNC(=S)Nc1ccccc1C(F)(F)F 915927398 LBLBZPJPHJIGEA-UHFFFAOYSA-N 289.326 3.778 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccccc1C1CC1 684767830 UCDCUXKTNWMKQH-AEFFLSMTSA-N 271.404 3.635 30 20 CHED O=[N+]([O-])c1ccccc1C=NNc1ccc(Cl)c(F)c1 747635681 MGPXDJLIEZQWCY-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CO[C@@H](C=NNc1ccc(Cl)cc1)CC(C)C 841604178 NECNYZLTNHHEOL-CYBMUJFWSA-N 254.761 3.799 30 20 CHED N#CC1(COC(=O)c2csc(C3CCCCC3)n2)CC1 840664469 FZAQKAXZPAPHKB-UHFFFAOYSA-N 290.388 3.651 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)nc1 593273502 WGSREPWHBVKSQY-UHFFFAOYSA-N 293.370 3.527 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1c(F)cccc1F 744067748 UZWNHGGMAKRUKN-LLVKDONJSA-N 284.302 3.552 30 20 CHED COCCOc1cc(C)ccc1N[C@@H](C)CC(C)(C)C#N 925715868 JDOQRMFXDYFNQI-AWEZNQCLSA-N 290.407 3.761 30 20 CHED N#C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 928231262 XGFOOOKKFKIEIM-OAHLLOKOSA-N 290.366 3.729 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1cc(C)n(C)n1)CS2 840720477 NNJABPFRPIGUMW-JYRVWZFOSA-N 298.411 3.717 30 20 CHED CO[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 842316657 VKLTYRWHIUBQLZ-YPMHNXCESA-N 294.420 3.504 30 20 CHED CCC/C(C)=C\C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 841370023 KXWIMDLRVCQYEF-OJNOIJSXSA-N 282.387 3.798 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)c1ccc(F)cc1F 752152794 RDLSQCVFDXMEEA-XPAGJJBOSA-N 291.297 3.859 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(OC)no1 753483272 CZOIZRLGFTYZKD-UHFFFAOYSA-N 282.384 3.506 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 753148347 GNFXNLKNDTWNLD-LSDHHAIUSA-N 292.810 3.765 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(CCC)[nH]n2)CCCC1(C)C 683497438 OGOAAIZXTHJHEG-HNNXBMFYSA-N 289.423 3.569 30 20 CHED Cc1ccnc(NN=C2CCOc3ccc(C)c(C)c32)c1 755905553 IWMMNBVKCIOKLE-UHFFFAOYSA-N 281.359 3.606 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCOCc1ccc(Cl)cc1 925618079 GRWJKXXVROUZEC-ZDUSSCGKSA-N 294.826 3.775 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@@H](C)Oc2ccccc21 926511403 WNVLAYWXCQJVIP-UMVBOHGHSA-N 272.392 3.817 30 20 CHED O=C(/C=C/c1ccccc1OC(F)F)c1ccccc1O 757474962 OWZZUVVBGOVDNL-MDZDMXLPSA-N 290.265 3.890 30 20 CHED Cc1cc(F)ccc1/C=C1/Oc2cc(O)cc(C)c2C1=O 750914146 SCPOLCPFCSYXLD-VIZOYTHASA-N 284.286 3.764 30 20 CHED C=C(CN[C@H](C)c1cc(OC)ccc1O)c1ccccc1 756482197 HUQWCASDAOCKQZ-CQSZACIVSA-N 283.371 3.765 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1ccccc1C 853783989 UAPYBPSRWTVMJT-NSHDSACASA-N 269.797 3.808 30 20 CHED CCCNN=Cc1ccc(-c2cccc(F)c2)s1 750934733 OTEWAFZOYLUOOC-UHFFFAOYSA-N 262.353 3.888 30 20 CHED Cc1cc(C)n(N=C[C@H](C)CC2CCCCC2)c(=O)c1C#N 758109062 NKDARSBFEWOSFC-CYBMUJFWSA-N 299.418 3.777 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1cc(F)ccc1O 759082000 AZSPOZBVFHTHIF-ARJAWSKDSA-N 283.711 3.537 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)O[C@H](C)CC(C)(C)C#N 851209923 QRVLYVFLBWOMTQ-KGLIPLIRSA-N 295.423 3.986 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)cc2F)c(O)c1 757472099 LBJSBIODKBFXKR-CLTKARDFSA-N 290.265 3.575 30 20 CHED CCc1nc(C=NNc2ccccc2CC)cs1 755642796 FLBXXITXUAGRQW-UHFFFAOYSA-N 259.378 3.714 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(OC2CCCCC2)CC1 931211894 OSKFFFWBTSYGGO-OAHLLOKOSA-N 293.451 3.929 30 20 CHED CC(C)[C@H]1CN(CCCCC2(C#N)CCC2)CCCO1 930590873 SZAVZBCYOVFGSH-MRXNPFEDSA-N 278.440 3.597 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1ccc(Cl)s1 930010208 SABOPRFTISDRPB-VIFPVBQESA-N 257.786 3.620 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(C2CC2)cs1 930483187 USGVPQQSNZVJQT-VIFPVBQESA-N 250.367 3.561 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCCC(F)(F)CC2)cc1 862467068 NXCPPBRXSXSEGV-ZDUSSCGKSA-N 294.345 3.599 30 20 CHED COc1cccc(F)c1C(=O)OCCCCC(C)(C)C#N 768733952 YYLXMASVDNEGPP-UHFFFAOYSA-N 293.338 3.711 30 20 CHED CCc1nc(C)c(C(C)=NNc2cccc(C)n2)s1 863160013 NNNIXJVULSODOJ-UHFFFAOYSA-N 274.393 3.553 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(C(C)C)c2)n(C)n1 863195996 UMSVNUDTMGOLOJ-CMDGGOBGSA-N 268.360 3.748 30 20 CHED Cc1ccc2c(CCC(=O)OCC3(C#N)CCC3)c[nH]c2c1 768106324 XGILPMOQPBPEPZ-UHFFFAOYSA-N 296.370 3.646 30 20 CHED CCC1(CC)C(=NNc2cnnc3ccccc23)C[C@H]1OC 762603477 KNXYTDARZYHWGJ-MRXNPFEDSA-N 298.390 3.623 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccccc1Oc1ccccc1 767237910 XCBOQESTQJCHRR-AWEZNQCLSA-N 279.339 3.573 30 20 CHED CC(C)CCO[C@@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 764615141 VHRMFGNDJNYHLL-KBPBESRZSA-N 289.375 3.614 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1C#N 767685022 SIVDLRVPOFTUNL-OAHLLOKOSA-N 293.414 3.784 30 20 CHED Fc1ccc(CCC=NNc2nncc3ccccc23)cc1 1116956991 RLLWMJNPWNSQNK-UHFFFAOYSA-N 294.333 3.799 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1F 872065786 BWHNNTWYZQFRJD-BDJLRTHQSA-N 296.345 3.741 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(F)c1F 870428747 MAEWTYILPNFZOT-GHMZBOCLSA-N 279.286 3.512 30 20 CHED C=CCC[C@@H](C)OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 772781427 IHHZZGUAQZULMF-SNVBAGLBSA-N 288.303 3.588 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1SCCc2sccc21 776390284 FKZSYZRAZSNRIF-LBPRGKRZSA-N 295.429 3.562 30 20 CHED C#CCCCCCC(=O)N1Cc2ccccc2C[C@H]1C 779960516 OXFSTHONILUXQE-OAHLLOKOSA-N 269.388 3.544 30 20 CHED CC(C)CCC(=N)NOCc1ccc(Cl)cc1C#N 774750052 BRLJODGXYQAKBH-UHFFFAOYSA-N 279.771 3.646 30 20 CHED C=CCCOCCCCc1nnc(C2CCCC2)o1 1118357689 WGSISOBVZPKUBO-UHFFFAOYSA-N 264.369 3.643 30 20 CHED C=C[C@](C)(CC)c1nc(C(C)(C)c2ccncc2)no1 871856187 JRPGGTIBJZPDMC-MRXNPFEDSA-N 271.364 3.644 30 20 CHED CC1(C)CCC[C@H]1C(=O)O[C@H](C#N)C1CCCCC1 772615166 LFHHWGDXOFILQA-UONOGXRCSA-N 263.381 3.828 30 20 CHED N#Cc1ccc(/C=C2/CCc3sccc3C2=O)c(F)c1 772807765 STVQUEHDNYHCGK-WQLSENKSSA-N 283.327 3.971 30 20 CHED CCCCCCCC(=O)NC[C@H]1COC2(CCCCC2)O1 775841472 ZCWBZQPRBHHIRQ-HNNXBMFYSA-N 297.439 3.539 30 20 CHED CCO[C@@H]1CC(=NOCCC(F)(F)F)C12CCCC2 777455226 AVPVBZUYKKGUSS-LLVKDONJSA-N 279.302 3.681 30 20 CHED C[C@H](OC(=O)[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 1127021657 QYMYWSGCHHLHJW-XEZPLFJOSA-N 271.360 3.989 30 20 CHED COc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1 779462312 LJZYLZPGGPVHNP-DAXSKMNVSA-N 273.719 3.640 30 20 CHED CCON=C(C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 771096241 CYLKDLOTQHFGGF-AWEZNQCLSA-N 295.354 3.534 30 20 CHED CC(C)CC(=NNC[C@@H](C)C#N)c1ccc(Cl)cc1 771112421 NOHJUZLOPSLCNQ-LBPRGKRZSA-N 277.799 3.839 30 20 CHED CC(C)(C#N)CCOC(=O)C(C)(C)c1ccc(F)cc1F 884786934 AIOGLGLJMSBROG-UHFFFAOYSA-N 295.329 3.725 30 20 CHED CCc1ccsc1C(=O)OCCCC(C)(C)C#N 783132248 JSNABIXAVZLHCM-UHFFFAOYSA-N 265.378 3.797 30 20 CHED Cc1cc(C=NNCc2ccccc2Cl)cc(Cl)n1 788714070 ALSZWAFIXOHQTK-UHFFFAOYSA-N 294.185 3.821 30 20 CHED C=CCCCC(=O)OCc1ccc(C#N)cc1Cl 784229194 AMRTYMDSYJHSJW-UHFFFAOYSA-N 263.724 3.611 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)Cc2c(F)cccc21 782326502 HGOXMIUNLCQBEH-JXMROGBWSA-N 285.343 3.982 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2scnc2C2CC2)cn1 782327534 LIECRDMAZSRNSE-AATRIKPKSA-N 287.388 3.694 30 20 CHED CC1(C)CCC(CON=C2CCC3(CC2)OCCO3)CC1 781612262 GKCJPEUNJBVAIF-UHFFFAOYSA-N 295.423 3.893 30 20 CHED CC(C)(C#N)COC(=O)c1ccc(Oc2ccccc2)nc1 781477168 UDCWWUUYLOYTGL-UHFFFAOYSA-N 296.326 3.580 30 20 CHED C=CC[C@H](C)N[C@H](c1ccccc1)C1CCOCC1 782773490 WEVBGCLKITXLSS-WMLDXEAASA-N 259.393 3.709 30 20 CHED C=CC(C)(C)CC(=O)OC[C@@H](C#N)Cc1cccs1 892907606 LDZXQOJGKJKHBS-GFCCVEGCSA-N 277.389 3.576 30 20 CHED COc1ccc(NN=C(C)c2csc(C(C)C)n2)nc1 780268089 QXJKJDPTNGSDRR-UHFFFAOYSA-N 290.392 3.506 30 20 CHED Cc1nc(Nc2cnn(C3CCC3)c2)c(Cl)cc1C#N 897105777 LJBMJCBIDQNUHS-UHFFFAOYSA-N 287.754 3.580 30 20 CHED CC[C@@H](NCc1ccc(C#N)cn1)c1cc(C)ccc1OC 783293441 HQANHBDIWFGTEY-QGZVFWFLSA-N 295.386 3.511 30 20 CHED Cc1cc(COC(=O)c2csc(C3CC3)n2)ccc1C#N 783304750 YRFAIFOOKOHDSM-UHFFFAOYSA-N 298.367 3.558 30 20 CHED CC1(C)CCC[C@H](C=NNc2ncncc2Cl)C1 780283423 WCPOPNUWWAIIPI-JTQLQIEISA-N 266.776 3.744 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc3c(c2)C[C@H](C)O3)cn1 899350918 UCQPIYTVUAXJRC-BPJJOFIESA-N 296.370 3.684 30 20 CHED COc1cc(C=NN[C@@H](C)C(C)(C)C)cc(Cl)c1OC 793110924 CTTOTGLWBLCYHI-JTQLQIEISA-N 298.814 3.715 30 20 CHED Cc1ccc(C(=O)N(CC2CCC2)CC2CC2)cc1C#N 799378432 IKFWOVBYMVXMMX-UHFFFAOYSA-N 282.387 3.519 30 20 CHED C=CC[C@H](N[C@H]1CCCc2cccnc21)c1ccncc1 798928993 JIUYCAJEPMMIEB-IRXDYDNUSA-N 279.387 3.761 30 20 CHED CC[C@H](C)NN=Cc1cc(Br)ccc1Cl 790188960 LZORDRMNGQCKHI-QMMMGPOBSA-N 289.604 3.825 30 20 CHED C#Cc1cccc(N(CC)CCCC2CCOCC2)c1 790313715 AYALCMXQECHUJV-UHFFFAOYSA-N 271.404 3.701 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C1\Cc2ccccc2C1=O 794927472 QVGZZXQSMTWPMY-OQLLNIDSSA-N 292.334 3.824 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)c1cncs1 797404191 HYFUFNGRIHALSU-UHFFFAOYSA-N 295.799 3.546 30 20 CHED CC[C@H](C)CON=C(C)c1cccc([N+](=O)[O-])c1C 793158478 HNHKJKIUYMNZBU-JTQLQIEISA-N 264.325 3.690 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(C(F)(F)F)cc2F)o1 797211756 IIZXPDRIQNHGHI-UHFFFAOYSA-N 299.179 3.528 30 20 CHED Cc1cc(C)c2c(c1)C(=NNc1ncccc1C)CCO2 790185976 LTQSOKPTXLEBOO-UHFFFAOYSA-N 281.359 3.606 30 20 CHED N#CC1(N(C(=O)/C=C/C2CCCCC2)C2CC2)CCC1 791003848 VXUMHUGWLWOPLC-JXMROGBWSA-N 272.392 3.560 30 20 CHED C=C(C)CNc1cccc(C[S@](=O)c2ccccc2)c1 799592430 LMEZWIQQMABPMB-FQEVSTJZSA-N 285.412 3.982 30 20 CHED C=CCC[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 790900269 YMYZMAPXSRAAQE-OAHLLOKOSA-N 297.354 3.535 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC(=C)C)Cc1ccccc1 793074852 MYGHRFPRIUPWKR-KRWDZBQOSA-N 284.403 3.576 30 20 CHED Cc1cc(C#N)nc(NCCc2ccc(C(C)(C)C)cc2)n1 1306931150 RDYUJCXTIZRQKD-UHFFFAOYSA-N 294.402 3.609 30 20 CHED CCOC(=O)[C@H](Sc1ccc(C#N)cc1F)C(C)(C)C 1307304802 CMHFSVUOUXBFMZ-ZDUSSCGKSA-N 295.379 3.767 30 20 CHED CC[C@H](CN(CC)Cc1cccc(C#N)n1)c1ccccc1 1308704077 IMCREGFJGNJKAO-MRXNPFEDSA-N 293.414 3.969 30 20 CHED N#Cc1ccc(OCc2cnc3ccccc3n2)cc1Cl 1166012410 FWRQHBRHOZEMOM-UHFFFAOYSA-N 295.729 3.734 30 20 CHED C=C[C@H](C)NC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12 1319074208 YFXSFHYAEXWVCF-NSHDSACASA-N 298.386 3.598 30 20 CHED CCc1cccc(C=O)c1OCCCC(C)(C)C#N 692072042 YBJDIDMKYSIZCI-UHFFFAOYSA-N 259.349 3.770 30 20 CHED Cc1cc(CNc2cc(F)c(F)c(F)c2)ccc1C#N 508472209 GTDPWNHOXXRPBT-UHFFFAOYSA-N 276.261 3.896 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCC1(C#N)CCC1 1312883374 IZUWPHDTZSZRGB-UONOGXRCSA-N 291.439 3.584 30 20 CHED COc1cc(C#N)cc(OCCCOCc2ccccc2)c1 393922946 CAORBGZRNYBEHO-UHFFFAOYSA-N 297.354 3.553 30 20 CHED C=C(C)COc1cccc(NCc2ncccc2C)c1 1319989286 NSNRANUZRRJPKW-UHFFFAOYSA-N 268.360 3.957 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(Br)cc1 104969086 DCIOCGXJSVMNNV-UHFFFAOYSA-N 297.196 3.879 30 20 CHED C[C@@H](Cc1ccsc1)Nc1nc2c(cc1C#N)CCC2 42278303 IOSXXBAALPDEPV-NSHDSACASA-N 283.400 3.547 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cccc(C(F)(F)F)c1 1321242609 YAOLZEBRUCMVCO-GWCFXTLKSA-N 273.298 3.557 30 20 CHED C[C@H]1CC[C@@H](NCc2cc(C#N)ccc2Br)C1 1179597475 BYRLKJXUQFESFF-GXFFZTMASA-N 293.208 3.599 30 20 CHED CC#CCCCc1nnc(-c2cc3ccccc3o2)o1 1326999357 AFCPWGOHBYEEAT-UHFFFAOYSA-N 266.300 3.829 30 20 CHED C[C@H](N[C@H]1CCCc2scnc21)c1ccc(C#N)cc1 599025075 YWNMNJIROQVXDW-FZMZJTMJSA-N 283.400 3.743 30 20 CHED N#Cc1ccc(OCc2nnc(C3CC3)s2)c(Cl)c1 577340331 ZFIPDJJWYQRJCF-UHFFFAOYSA-N 291.763 3.520 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2ncccc2C#N)CC1 71202954 GGINCTUTFGEBSD-CQSZACIVSA-N 257.381 3.606 30 20 CHED N#CCCN(Cc1ccccn1)Cc1cccc2ccoc12 1180031028 SSALURNLEAOMRQ-UHFFFAOYSA-N 291.354 3.744 30 20 CHED Cc1cccc2nc(CSCCCCC#N)cn12 1337589941 IGKYFFSOKZTOKN-UHFFFAOYSA-N 259.378 3.570 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCCc1cc(C)sc1C 1338328920 NQTLNTUDBFIASW-OAHLLOKOSA-N 292.448 3.838 30 20 CHED Cc1nn(C)cc1CSCc1ccccc1C(C)(C)C#N 1331498869 VRCMKPQDEMZFRX-UHFFFAOYSA-N 299.443 3.963 30 20 CHED C=C[C@@H](C(=O)N(C)C1CC(C)(C)C1)c1ccccc1 1348726353 FLDCDZOLIAIPNF-OAHLLOKOSA-N 257.377 3.603 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)c1ccc(C#N)cc1F 1262627196 LPRCPEAXCVKGTP-LBPRGKRZSA-N 274.339 3.562 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@H](c1ccccc1)c1cnn(C)c1 1345925860 XTZDNNKZSTXOSN-KBXCAEBGSA-N 298.386 3.655 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2c(c1)CCCC2=O 1347523497 YVTQYJCWSZOMTF-INIZCTEOSA-N 297.398 3.776 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cccc(-c2ccncc2)c1 1342731817 HLDWJNDVECEXLR-KSSFIOAISA-N 282.387 3.600 30 20 CHED CC(C)c1cccc(N(C)c2nnc(C(C)(C)C#N)n2C)c1 1341256976 XHFBEXFTRREHCO-UHFFFAOYSA-N 297.406 3.508 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C23CCC(CC2)CC3)C1 1349718788 UOHHOFUUJDPFRO-IOSBVQAASA-N 261.365 3.582 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)c1ccc(Cl)s1 1340891983 LFFIWLMCUOHHGC-ZJUUUORDSA-N 284.812 3.656 30 20 CHED C=C(C)CCC(=O)N1CCc2c(Cl)cc(F)cc2C1 1353699829 MKRJACYAHTVWJP-UHFFFAOYSA-N 281.758 3.720 30 20 CHED CCCCS[C@H](C)C(=O)O[C@@H](CC#N)c1ccco1 1350311022 DGVKSQPFCHWRJF-YPMHNXCESA-N 281.377 3.699 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1275465531 WJRKMTVXHIZTCC-YJNKXOJESA-N 263.381 3.828 30 20 CHED CC[C@@H](CC(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1357599291 SRXWBCXSZJXXIA-ZFWWWQNUSA-N 296.345 3.981 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCc2cc(F)ccc21 1361270558 XAKXHAPNAZKNIP-INIZCTEOSA-N 294.329 3.674 30 20 CHED C=CCC[C@H](C(=O)OCC1CSC1)c1ccccc1 1515780248 QUGLCTPKUSKSEC-HNNXBMFYSA-N 276.401 3.643 30 20 CHED CC[C@H](C)CCCCC(=O)[C@@H](C#N)c1nccn1CC 1517046710 PISZUPGNPMNDPT-UONOGXRCSA-N 275.396 3.686 30 20 CHED C[C@H](NC(=O)c1cc(C#N)ccc1F)[C@H](C)c1ccccc1 1515192464 HCUQFZCXJMHHSG-STQMWFEESA-N 296.345 3.619 30 20 CHED C=C(CC)C(=O)Nc1nc2ccccc2n1C(C)C 1521736503 BHTRQVSGEDVNTM-UHFFFAOYSA-N 257.337 3.522 30 20 CHED O=C(O)c1c(F)cccc1NN=C/C=C/c1ccccc1 1608828658 QGAHMFJXFQYMQX-XQJBRBSMSA-N 284.290 3.635 30 20 CHED CC[C@@H](c1ccccc1)N1CCN(C[C@H](C)CCC#N)CC1 1461853780 SJAKQCJSDLQQGP-MJGOQNOKSA-N 299.462 3.695 30 20 CHED N#CC1CCC(CSCc2ccccc2C(=O)O)CC1 1601059709 LHQBVZSSHUACLH-UHFFFAOYSA-N 289.400 3.948 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)n1 1530355853 WOAOCNBCXBFFLJ-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CN(Cc1cccc2ccccc12)c1ncc(C#N)cc1F 1611818242 WCQRDBYJWAPBGF-UHFFFAOYSA-N 291.329 3.882 30 20 CHED CO[C@H]1CCC[C@@H](Sc2ccc(C#N)cc2F)C1 1613565903 KQZQGBSPPBZRJU-NWDGAFQWSA-N 265.353 3.747 30 20 CHED Cc1ccc2c(c1)N(CCc1ccc(C#N)cc1)CCC2 1473160308 MDSXFGQAMKIQQY-UHFFFAOYSA-N 276.383 3.862 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1ccccc1CC#N 1624450643 FPVAAKXDBMCAHY-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CC(C)C[C@H](N=c1cc[nH]c(C#N)c1)c1ccccc1 1559054457 RSVPZOHZLHRYFX-KRWDZBQOSA-N 265.360 3.574 30 20 CHED C=C(C)c1cccc(NC(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1 1563364398 ZZXPVTHTHSNTAM-BQDHKBFISA-N 270.376 3.886 30 20 CHED CC[C@@H](C)c1ccc([C@H](NC[C@H](O)CC#N)C(C)C)cc1 1644881602 WEOZEHWRCNOHSO-ZTFGCOKTSA-N 288.435 3.761 30 20 CHED CC1(C)C[C@@H]1Nc1c(C#N)cnc2c(Cl)cccc12 1640018897 RZIGGJHIHPYNEZ-LBPRGKRZSA-N 271.751 3.970 30 20 CHED COc1ccc(CC(C)(C)Nc2cc(C)c(C#N)cn2)cc1 1655382625 LCCBKCCOQMMKQC-UHFFFAOYSA-N 295.386 3.704 30 20 CHED CC(C)(C)[C@H]1CSCCN1Cc1cccc(C#N)c1 1654630761 XVEYQJSNSWZAGU-OAHLLOKOSA-N 274.433 3.522 30 20 CHED C[C@H](C1CCCCC1)N(C)CCOc1ccccc1C#N 1653419663 DYHWFAUTEWJDII-OAHLLOKOSA-N 286.419 3.838 30 20 CHED CC(C)(C)Oc1cccc(NC(=O)c2ccc(C#N)cc2)c1 1585342911 MEAFGSGTNLHQDX-UHFFFAOYSA-N 294.354 3.988 30 20 CHED CCC(CC)(CNc1nccnc1C#N)c1ccc(F)cc1 1655700775 MZVKWVWCIAPNMX-UHFFFAOYSA-N 298.365 3.657 30 20 CHED C#CCCCCCCN1CC[C@H](C(=O)O)[C@@H]2CCCC[C@@H]21 1588441776 KIYBTEDDYUXEDY-ULQDDVLXSA-N 291.435 3.535 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2cc(C)cc(C#N)c2)[C@H]1C 1672285278 LCSSIAPKVPURNG-GXTWGEPZSA-N 271.364 3.519 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(F)c(C(=O)O)c2)c1 1776127074 GTQCPDLUIRSTKP-VURMDHGXSA-N 284.286 3.728 30 20 CHED C=CCN(CCC(=O)O)Cc1c(CC)ccc2ccccc12 1776177985 YNBUZMRXCNNVKF-UHFFFAOYSA-N 297.398 3.865 30 20 CHED CC(C)(C#N)CCCSCc1nc(C2CC2)no1 161497988 OJBVLPPPRUVIAV-UHFFFAOYSA-N 265.382 3.510 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(-c2ccccc2F)n1 161739065 KSEBSUQFIRIQJT-LLVKDONJSA-N 289.379 3.683 30 20 CHED CCN(Cc1ccc(C#N)cc1Cl)CC(F)(F)F 162892848 VGDDPSJZIJVONX-UHFFFAOYSA-N 276.689 3.596 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccc(CCO)cc1 158065768 KLMWQOKOQAUAHA-UHFFFAOYSA-N 295.382 3.602 30 20 CHED CCCN(CC1CC1)C(=O)N[C@H](CCC#N)c1ccccc1 160714051 WQPDNVRPWYEGGG-QGZVFWFLSA-N 299.418 3.863 30 20 CHED N#Cc1cc(N2CCC[C@H]2c2cccs2)ccc1[N+](=O)[O-] 165107546 IFEAVHBZKOARPW-AWEZNQCLSA-N 299.355 3.869 30 20 CHED C#CCCCCNC(=O)Nc1ccc(CCSC)cc1 153413683 GBOYSPJRMVKTGI-UHFFFAOYSA-N 290.432 3.517 30 20 CHED Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)s1 153442450 BNFDRTRBORFOKI-AWEZNQCLSA-N 284.384 3.831 30 20 CHED C=CC[C@@H]1CCCN(Cc2cccc(Cl)n2)C1 852408767 AJFOZTBZYYLPIM-GFCCVEGCSA-N 250.773 3.523 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2ccc(C#N)cc2)s1 102782058 FHNYRFAUSZFQRD-UHFFFAOYSA-N 285.372 3.592 30 20 CHED Cc1ccc(C#N)cc1OCc1ccc(F)cc1F 229947857 AQEDNSJJWGYIIS-UHFFFAOYSA-N 259.255 3.724 30 20 CHED N#Cc1ccc(Oc2nc(Cl)cs2)c(F)c1 232341956 XYANNVBTVXOVOX-UHFFFAOYSA-N 254.673 3.600 30 20 CHED N#Cc1ccc(OCc2ccc3c(c2)CCC3)c(F)c1 232364054 IKMLKMPZTHJXOW-UHFFFAOYSA-N 267.303 3.765 30 20 CHED CS[C@H]1CCC[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 235232378 OPETWIAVDWRNRY-RYUDHWBXSA-N 291.376 3.553 30 20 CHED CCN(CCOc1ccc(C#N)cc1)C1CCCCC1 34652514 RPNLQXFNFXCIKZ-UHFFFAOYSA-N 272.392 3.592 30 20 CHED C=CCN(Cc1ccccc1)Cc1ncc(C)s1 180415964 FGCKBLVUYNCWPF-UHFFFAOYSA-N 258.390 3.640 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1ccc(C#N)cc1 308090677 QQEVNCGPTWCNCJ-CQSZACIVSA-N 258.365 3.959 30 20 CHED COc1ccc(CN[C@@]2(C)CCCC[C@H]2C)cc1C#N 308713244 LKOICBJTEOUGHS-DYVFJYSZSA-N 272.392 3.625 30 20 CHED C#CCCCNCc1cccc(OCc2ccccc2)c1 309888961 LWWUVLSWHQYEIW-UHFFFAOYSA-N 279.383 3.769 30 20 CHED C=CCCCCCCNCc1cnn(C(C)(C)C)c1 312052800 CTGVJXYXMZDQKL-UHFFFAOYSA-N 263.429 3.864 30 20 CHED CC1(C)Oc2ccc(NCc3cc(C#N)cs3)cc2O1 93685832 DWEXPHDWKOCBJG-UHFFFAOYSA-N 286.356 3.739 30 20 CHED C=CCOCCCN[C@@H](C)c1ccc(F)cc1Cl 451109233 VFGUXSNEXBRZFA-NSHDSACASA-N 271.763 3.722 30 20 CHED C=CC(C)(C)CNCc1ccc(OC)c(OC(F)F)c1 384841805 IZPSDZVREQQRDU-UHFFFAOYSA-N 285.334 3.598 30 20 CHED CC[C@@H]1CCC[C@H]1NC1CC(C#N)(c2ccccc2)C1 388583422 GKZZMVHHFPXOFS-CCGTUFIJSA-N 268.404 3.779 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(OC(F)F)cc1 395333510 SQNANZAMTNPKLW-NSHDSACASA-N 255.308 3.905 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CS1 397919024 KACHMWDOFNXESG-KWQFWETISA-N 286.322 3.883 30 20 CHED N#CCc1ccc(COc2cc(F)cc(F)c2)cc1 398961953 NPLJCJPCZYYKSO-UHFFFAOYSA-N 259.255 3.610 30 20 CHED COc1cccc(/C=N/C[C@@H](C)c2ccccc2)c1O 5290308 CIGUGPMEGSWEDY-RNEAKCBISA-N 269.344 3.623 30 20 CHED N#Cc1cccnc1Sc1ccc(C(F)(F)F)cn1 19846601 YIZWTCHLGWRMQT-UHFFFAOYSA-N 281.262 3.518 30 20 CHED CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 20077578 DHYUAINXPSAWLF-UHFFFAOYSA-N 268.341 3.668 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C)s1 23715223 DZUSXFPYGIHHJE-OAHLLOKOSA-N 284.384 3.809 30 20 CHED N#Cc1ccc(NCCc2ccc(Cl)cc2)cc1 42227401 RIMOTDAGMXUIOM-UHFFFAOYSA-N 256.736 3.866 30 20 CHED N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1 46439655 YIUWTEQYBVWQGP-LBPRGKRZSA-N 290.244 3.590 30 20 CHED CC[C@H](CC#N)NCc1ccc(Cl)cc1Cl 54181984 OJVMUODGTKUGKB-LLVKDONJSA-N 257.164 3.775 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 57635238 JFVHYBGIINPLEV-CZUORRHYSA-N 299.418 3.600 30 20 CHED Cc1nnc(N[C@@H]2CCCc3sccc32)c(C#N)c1C 61367143 HAGOMHMAQFYKQJ-CYBMUJFWSA-N 284.388 3.516 30 20 CHED C=C(C)CN(CC)C(=O)CN(C)c1cccc(C(C)C)c1 64516941 DSWXWZNDLWSXDB-UHFFFAOYSA-N 288.435 3.671 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 66311967 DZMRMYPOWUOIAJ-NVXWUHKLSA-N 287.403 3.640 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66788853 RGGHYXLPYJUILB-SJKOYZFVSA-N 292.338 3.945 30 20 CHED C=C(C)CSc1nc(NCC)c2ccccc2n1 71806721 AIGVUPLQEFUPFM-UHFFFAOYSA-N 259.378 3.730 30 20 CHED N#Cc1cccc(OCCN(Cc2ccccc2)C2CC2)c1 71950244 VZUGXQTXADTFPN-UHFFFAOYSA-N 292.382 3.602 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)NC2(C#N)CCCCC2)C1(C)C 73171427 KAOKIBJWKAEEDB-KBPBESRZSA-N 274.408 3.567 30 20 CHED N#Cc1ccccc1NC(=O)CCCC1CCCC1 73850265 JGLRJAPASWPETM-UHFFFAOYSA-N 256.349 3.857 30 20 CHED C[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 74917576 FPFZZQOLVASRIU-KEYYUXOJSA-N 299.418 3.839 30 20 CHED C#Cc1cccc(N(C(=O)CC[C@@H]2CC[C@@H](C)O2)C(C)C)c1 75200169 GKRNTQSWPDBIMB-QAPCUYQASA-N 299.414 3.757 30 20 CHED N#Cc1cccc(NC(=O)NC2CC(c3ccccc3)C2)c1 77414424 PLAUUTSNKJGCMQ-UHFFFAOYSA-N 291.354 3.626 30 20 CHED O=C1/C(=C/c2cccnc2Cl)CCc2c(O)cccc21 78695018 YCQHXNHMOQDADF-MDZDMXLPSA-N 285.730 3.653 30 20 CHED CC[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 83640146 JTNYVWMQXANBPD-YPMHNXCESA-N 273.336 3.847 30 20 CHED N#Cc1cccc(Sc2ccc([N+](=O)[O-])cc2)c1 91485434 QXHPWWSEKLAWJN-UHFFFAOYSA-N 256.286 3.618 30 20 CHED CC1(C)CCCC[C@@H]1NCc1ccc(C#N)cc1F 94325682 ICEDOZALBPMVSZ-HNNXBMFYSA-N 260.356 3.756 30 20 CHED C[C@@H](CNc1c(C#N)nnc2ccccc12)C(C)(C)C 96867072 KRMLSSBFKZLQJZ-NSHDSACASA-N 268.364 3.596 30 20 CHED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C#N 102778770 PMQKDWBNPKZWDU-CQSZACIVSA-N 291.354 3.770 30 20 CHED CCCCCCCCCC(=O)Nc1cccc(C(=O)O)n1 110934979 RPEDUGHPSCPGGW-UHFFFAOYSA-N 292.379 3.859 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](CC)c1ccccc1 113480833 PPWVRCFNUPKNOZ-HIFRSBDPSA-N 262.349 3.662 30 20 CHED Cc1ccc(CCNCc2ccc(O[C@H](C)C#N)cc2)cc1 116360444 NLGNQRKUTKYKBQ-MRXNPFEDSA-N 294.398 3.618 30 20 CHED CCCCCCCCCCCC(=O)N1C[C@@H]2CNC[C@@H]2C1 116924964 URUZSAXVXCVBMK-CALCHBBNSA-N 294.483 3.585 30 20 CHED C=CC[C@H](C)NCc1ccccc1OC(F)(F)F 116926512 VUSSAMBEJRMKNB-JTQLQIEISA-N 259.271 3.639 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(N2CCCC2)c(F)c1 117002231 CVTLTUBYWMFCEO-LBPRGKRZSA-N 291.370 3.512 30 20 CHED N#CCCCN[C@@H]1CCCC[C@@H]1Cc1ccccc1 119097511 CRNLYBFDTJVAEO-IAGOWNOFSA-N 256.393 3.681 30 20 CHED CCCCCCCCC(=O)N(C)Cc1ccncc1 119803919 JHKDFPHZXYHYJM-UHFFFAOYSA-N 262.397 3.791 30 20 CHED C=CCC[C@H](NC[C@@H]1CCOc2ccccc21)C1CC1 121088482 HNKTXYSOIBJVBM-RDJZCZTQSA-N 271.404 3.887 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SC1CCCCC1 124958432 QFKMRXKOHODPFA-ZDUSSCGKSA-N 267.438 3.641 30 20 CHED N#Cc1cccc(NCc2c(O)cccc2Cl)c1 127235896 FDYVUQXRSVKLHX-UHFFFAOYSA-N 258.708 3.529 30 20 CHED Cc1cc([C@@H](C)Nc2nccc(C)c2C#N)c(C)o1 135072648 IEXFKQBQGPUXJH-LLVKDONJSA-N 255.321 3.645 30 20 CHED C=CCC(CC=C)C(=O)N[C@](C)(CC)c1nc(C)cs1 150859840 SLXRAABYMIPQJR-MRXNPFEDSA-N 292.448 3.961 30 20 CHED CCC1(C(=O)[C@H](C#N)c2nc(C)cs2)CCCC1 151039866 XLFLPKKXDMZCIY-NSHDSACASA-N 262.378 3.598 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1ccc(SCC)cc1 154480091 RMJQHVWKVNLXMJ-GFCCVEGCSA-N 278.421 3.687 30 20 CHED C=CCC[C@@H](NC(=O)N[C@@H](C)C1CC1)c1ccccc1 156147629 CXOOJSSLDTWGEB-XJKSGUPXSA-N 272.392 3.792 30 20 CHED N#CC1(c2ccccc2)CC(NC[C@@H]2Cc3ccccc32)C1 158471547 XFUJEXYHYZNKKR-VQSBYGRUSA-N 288.394 3.540 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(C#N)c1 158980464 AOMSUSRUFHQIRA-UONOGXRCSA-N 282.368 3.670 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1C[C@H]1c1sccc1C 161311745 PEKXWWSYSKGWRS-OLZOCXBDSA-N 263.406 3.585 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCOCC)cc1 161963173 YLIQHLPTZPOVQA-ZDUSSCGKSA-N 283.799 3.505 30 20 CHED C=CCCc1csc(-c2ccc(N3CCCC3)nc2)n1 164316703 VAELKGQCLAPDOF-UHFFFAOYSA-N 285.416 3.924 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(C=O)cc1Cl 165706023 HUKZRCOUJOKYOM-UHFFFAOYSA-N 285.730 3.912 30 20 CHED Cc1ncc(CN(C)c2c(Cl)cccc2C#N)s1 171808500 JSNARTFXRQQGCO-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1ccc(F)c(F)c1 173928676 WNCCVUDJZLWEKD-NSHDSACASA-N 284.302 3.552 30 20 CHED C=C(C)CCOC(=O)c1ncoc1-c1ccc(C)cc1 174795897 CGMYLTBKNRLZHG-UHFFFAOYSA-N 271.316 3.773 30 20 CHED C#CCCCNC(=O)Nc1ccc(OCCCC)cc1C 175443940 XXFAICKPGWVEGH-UHFFFAOYSA-N 288.391 3.709 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)c1cc2ccccc2o1 176228925 UZUOZLIMXAQIFL-SJCJKPOMSA-N 284.359 3.591 30 20 CHED N#CCCN(Cc1ccc2c(c1)CCC2)Cc1ccco1 176298224 VVUPOQAMIJNYGC-UHFFFAOYSA-N 280.371 3.684 30 20 CHED COc1ccc(/C=C2/CCc3cc(F)ccc3C2=O)cc1O 176941146 WRXBPXJRLXQAIB-JYRVWZFOSA-N 298.313 3.752 30 20 CHED Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C#N)C1CC1 177036386 IQGYBPZVFMODIW-ZDUSSCGKSA-N 298.367 3.578 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)C1CCC(C)CC1 178540676 HBNGQVWECDVRRA-UHFFFAOYSA-N 285.391 3.909 30 20 CHED CC(C)c1ccc(CCC/N=C(\N)Nc2ccccn2)cc1 178573151 ZRKYZLFNGDAIDE-UHFFFAOYSA-N 296.418 3.564 30 20 CHED C#Cc1cccc(NC(=O)CCc2ccc3[nH]ccc3c2)c1 179659575 ZKRJBJLYTLFULG-UHFFFAOYSA-N 288.350 3.721 30 20 CHED Cc1cccc(C)c1CC(=O)N(CCC#N)CCC(C)C 180264643 ILOOIYVFKMRNOA-UHFFFAOYSA-N 286.419 3.634 30 20 CHED Cc1[nH]ncc1[C@H](C)Nc1cccc(OCCCC#N)c1 181082234 CWWNUKJDQBHLFL-LBPRGKRZSA-N 284.363 3.574 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@H](CC)CC#N 183813205 MOZFGPRLHXPLTD-UONOGXRCSA-N 252.402 3.791 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)N[C@@H](CCC#N)c1ccccc1 186668930 DHMBGNGAIVTJHG-XIRDDKMYSA-N 284.403 3.974 30 20 CHED C=CCC[C@@H](C(=O)N1CC=C(COC)CC1)c1ccccc1 188279360 MHVMFXVYOONGMN-GOSISDBHSA-N 299.414 3.542 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@H]1C)c1ccccc1 188341886 KBZOYFMJVOTYEW-ZBFHGGJFSA-N 257.377 3.747 30 20 CHED C=CC[C@H](C(=O)N(C)c1ncccc1F)c1ccccc1 188727183 UOPZNDQPKNDUHC-AWEZNQCLSA-N 284.334 3.543 30 20 CHED CC(C)(C)OC(=O)Oc1ccc(C#N)c(Cl)c1 190703762 MNPWDTBOOLDCLH-UHFFFAOYSA-N 253.685 3.526 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCCOc1ccc(C)cc1 190708473 VQOHGPUKIJOFAB-SFHVURJKSA-N 289.419 3.873 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(N2CCCCC2)cn1 190951367 TVDMFTJYCRQPOD-QGZVFWFLSA-N 287.407 3.613 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)c(OC)cc1OC 191801528 IXXIPDKGMZPMMW-OAHLLOKOSA-N 297.782 3.898 30 20 CHED N#CCCCCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 192107376 VSWHLOZCSSZDCK-GJZGRUSLSA-N 296.773 3.593 30 20 CHED C=C(C)CN(CC)C(=O)c1sccc1-n1cccc1 192873764 YBAYHXDJNKOIOT-UHFFFAOYSA-N 274.389 3.577 30 20 CHED C=CCN(CC=C)C(=O)C1(c2cccc(Cl)c2)CC1 193125877 UFNSSWOXTSNVRH-UHFFFAOYSA-N 275.779 3.572 30 20 CHED COc1cccc(/C=N/[C@@H]2C[C@H]2c2ccc(F)cc2)c1O 193257546 GCTWXFRTOWHNMJ-KDARVREZSA-N 285.318 3.515 30 20 CHED C=CCCCCCN1CCC(NC(=O)OC(C)(C)C)CC1 193416231 JSLBNTSBMNMZBD-UHFFFAOYSA-N 296.455 3.722 30 20 CHED C=CCN(CC=C)C(=O)CS[C@@H](C)c1cccc(F)c1 194181103 SSSKEVUULMUOBQ-ZDUSSCGKSA-N 293.407 3.821 30 20 CHED C=CCSCC(=O)N[C@@H](CC)c1ccccc1OCC 195061357 XPHYCIKQXYQKMY-AWEZNQCLSA-N 293.432 3.572 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cccc(C)c1O 195559470 CYKICEZWFFQBFY-UHFFFAOYSA-N 299.345 3.668 30 20 CHED N#Cc1ccc(F)c(CN2CCC[C@H]3CCCC[C@H]32)c1 217728154 XDAFLBJQNXQJCS-RHSMWYFYSA-N 272.367 3.852 30 20 CHED Cc1nsc(NCC(C(C)C)C(C)C)c1C#N 229611567 AQDWUFNSEBZPMS-UHFFFAOYSA-N 251.399 3.663 30 20 CHED CC(C)[C@@H](C)Sc1nc2c(cc1C#N)CCCC2 232845687 MSFGQZNNAFCMBH-LLVKDONJSA-N 260.406 3.969 30 20 CHED CS[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 235075459 LHBCSAHLHYMDHA-TZMCWYRMSA-N 291.376 3.553 30 20 CHED N#Cc1cccc(CN2CC[C@H]3CCCC[C@H]3C2)c1 249936874 CMAGZKHMROGPQE-SJORKVTESA-N 254.377 3.570 30 20 CHED CCOc1ccc(C(=O)/C=C\c2scnc2C)cc1 255013106 MMNNQAVGDBGBIN-HJWRWDBZSA-N 273.357 3.746 30 20 CHED C#Cc1cccc(NC(=O)/C=C\c2ccc3ccccc3n2)c1 255139261 OZMDQOOSPTUNEO-SEYXRHQNSA-N 298.345 3.868 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 255546068 USLHBNPYSSIHEK-JKIFEVAISA-N 299.418 3.524 30 20 CHED CN(CC1CCCCC1)C(=O)/C=C\c1ccccc1C#N 255870597 NBFWRPTWOYOMGF-QXMHVHEDSA-N 282.387 3.610 30 20 CHED CC[C@@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 264537784 MAEZCEBJSITMRO-VXGBXAGGSA-N 291.420 3.858 30 20 CHED CC[C@@H](CC(=O)N[C@@H](C#N)C(C)C)c1ccc(C)cc1 265602929 AHRWPFHMOOYUGW-HOCLYGCPSA-N 272.392 3.543 30 20 CHED CCOc1cc(C#N)ccc1OCc1sc(C)nc1C 266046120 XMTDWPBEEXIDOE-UHFFFAOYSA-N 288.372 3.609 30 20 CHED C=C(C)CCN[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 274877905 YXPMYPFIWOPBSR-LBPRGKRZSA-N 289.354 3.801 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 276244211 CLTZBKICLTYGDZ-UHFFFAOYSA-N 288.269 3.625 30 20 CHED C=CCC[C@H](NC1CCN(CC(=C)C)CC1)c1ccco1 276458175 NKDMTMXJTZKQTP-KRWDZBQOSA-N 288.435 3.917 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(C(C)C)nc2)no1 278065726 WEVNPHISJAHBOH-GFCCVEGCSA-N 287.363 3.909 30 20 CHED CC(C)(C#N)CC(=O)N1CCCC[C@@H]1c1ccccc1 278899287 YFVLCWSNLLDNBT-OAHLLOKOSA-N 270.376 3.680 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)cc1 280774136 ZWERNUXHCCJVPK-WKILWMFISA-N 280.346 3.733 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCc1ccc(F)cc1 280788587 JEWHDJLVUTTZRF-ZVZYQTTQSA-N 291.410 3.718 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CCCC(F)(F)C2)ccc1Cl 282480820 ILEBUDXAUPCOFI-SECBINFHSA-N 298.720 3.976 30 20 CHED N#C[C@H]1CC[C@H](Sc2nccn2Cc2ccccc2)C1 283115867 SEELSCMSSHQTAZ-GJZGRUSLSA-N 283.400 3.716 30 20 CHED CC1(C)CN(C(=O)CCCC#N)c2cccc(Cl)c21 292263855 IGGROZKTQOIEQN-UHFFFAOYSA-N 276.767 3.658 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 293858055 YUKQSSBMJYMAAK-AWEZNQCLSA-N 288.435 3.641 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1c(F)cccc1F 293923898 FOCCUTWORMTIHK-UHFFFAOYSA-N 279.330 3.692 30 20 CHED CCN(CCc1ccccc1)C(=O)[C@@]1(C#N)CC12CCCC2 294383310 NRDQJHMHURCLMY-IBGZPJMESA-N 296.414 3.552 30 20 CHED C#CC[C@H](NCc1nnc(C(C)C)s1)c1ccccc1 295073804 WUQIEPJNRKFVJV-AWEZNQCLSA-N 285.416 3.516 30 20 CHED CCN(Cc1cnc(C)s1)[C@H](C)c1ccc(C#N)cc1 299131578 MCGJLXMOEKXWLZ-GFCCVEGCSA-N 285.416 3.906 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(c2cccc(C#N)n2)C1 301816218 DNIROILQIVHXEN-MLGOLLRUSA-N 281.334 3.680 30 20 CHED C[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@@H]1COc2ccccc21 301871745 WYGJSWUEYVOVLT-PWSUYJOCSA-N 299.761 3.583 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCC[C@H]2CCCCO2)c1 302480776 YCFXBACSDNDRBD-GFCCVEGCSA-N 298.308 3.948 30 20 CHED CC(C)C(C)(C)CNc1ccc(Cl)c(C#N)n1 302517653 VZMMSFIYIFJWFA-UHFFFAOYSA-N 251.761 3.701 30 20 CHED C[C@H](C[C@H]1CCCO1)/N=C(/O)c1coc(C2CCCC2)n1 328789316 YDVAQEMINCJZCC-DGCLKSJQSA-N 292.379 3.594 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2ccc3c(c2)C(=O)CCC3)CCC1=O 328952808 NXUJKONMLDWOPP-DGCLKSJQSA-N 299.370 3.799 30 20 CHED C[C@@H]1CCN=C(O)[C@@H]1/N=C(/O)C(C1CCC1)C1CCC1 329109690 JAVVGEYBIPPCGW-QMTHXVAHSA-N 278.396 3.524 30 20 CHED CC[C@@H]1C[C@H](C(O)=Nc2scnc2C2CC2)CCO1 329387253 QVVQXFJHRZCCAG-GHMZBOCLSA-N 280.393 3.814 30 20 CHED CC(C)n1ncc2ccc(N=C(O)N3C[C@H]4CCC[C@H]43)cc21 329926287 KORWWVXBGJUQGV-UKRRQHHQSA-N 298.390 3.647 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@H]1CCC[C@@H](C)C1 330484008 WEEXDWZZEXGCMB-IJEWVQPXSA-N 264.413 3.647 30 20 CHED CC(C)(C)NC(O)=Nc1ccccc1OC1CCCC1 330941743 FYBOOHFXRLODTL-UHFFFAOYSA-N 276.380 3.942 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC(C)(C)C1 334419798 QHMVSBNYTSESAW-CYBMUJFWSA-N 285.391 3.653 30 20 CHED CSc1ccccc1NC(=O)c1ccc(C#N)s1 336455757 MWEJLDJGARQVQC-UHFFFAOYSA-N 274.370 3.594 30 20 CHED Cc1cc(C)c(C#N)c(NCc2cccc3cccnc23)n1 336854830 SCPSVKYGXNVIFG-UHFFFAOYSA-N 288.354 3.730 30 20 CHED CCOc1ccc(NC(=O)c2cccc(C#N)c2C)cc1 337759056 NQTXNYJSMMBLGQ-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CCOc1ccc(C#N)cc1NCCCCCF 340604269 CBAZCXITBADJKW-UHFFFAOYSA-N 250.317 3.509 30 20 CHED C=C(CNc1c(C#N)cccc1C#N)c1ccccc1 340856415 YGWKDZCYIMSKRB-UHFFFAOYSA-N 259.312 3.555 30 20 CHED C[C@@H]1CCC[C@H]1CNCc1cccc(OCCCC#N)c1 341481296 HTGPFUWOKWOPLS-WBVHZDCISA-N 286.419 3.895 30 20 CHED C=CC[C@@H](CO)CN[C@H]1CCSc2ccc(Cl)cc21 341869565 AUPYWECSMNKBEY-RISCZKNCSA-N 297.851 3.651 30 20 CHED Cc1c[nH]cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 341875727 CVEFUBKMTSRAQT-LLVKDONJSA-N 299.399 3.827 30 20 CHED CC(=O)c1ccc(NCc2ccc(CC#N)cc2)cc1 342445177 VZNKRVWSOLMASB-UHFFFAOYSA-N 264.328 3.567 30 20 CHED COc1ccc(CN(CCCC#N)C(C)(C)C)cc1 344294301 TYXHMJVLWIFMMU-UHFFFAOYSA-N 260.381 3.599 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@@H]2C(F)F)c1 349161505 UDOVKNNGDUQXOZ-CYBMUJFWSA-N 296.317 3.513 30 20 CHED N#Cc1ccn(CCn2ccc3cc(Cl)ccc32)c1 351912413 ILCWTAUGVMKZQV-UHFFFAOYSA-N 269.735 3.668 30 20 CHED C=C(C)CN(CC/C=C/CC)Cc1ccc(CO)o1 352816099 OMADLUARHCDQGF-AATRIKPKSA-N 263.381 3.506 30 20 CHED C=CCCCCCN(C)C(=O)c1occ2c1CCC2 353315818 QPTVTEIDTGXXBO-UHFFFAOYSA-N 261.365 3.587 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2ccc(F)cn2)cc1 353886781 VMJYHJLWNCWYJO-CYBMUJFWSA-N 286.350 3.636 30 20 CHED CCCCN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC1 354321737 ZNRIKQSJUZUVRM-MRXNPFEDSA-N 284.403 3.865 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 354887706 IDPZLWANGAZNRD-XJKSGUPXSA-N 299.418 3.572 30 20 CHED CCN(CCC#N)C/C(C)=C/c1ccccc1OC(F)F 356079874 BWZVARPFYLRYNG-ACCUITESSA-N 294.345 3.927 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)C[C@H](CC#N)c1ccccc1 356305734 AGEATFXRTCOCHG-PVAVHDDUSA-N 284.403 3.769 30 20 CHED N#Cc1cccc(Cl)c1NCCn1cnc2ccccc21 357225887 KQSPJOSIFYJTAE-UHFFFAOYSA-N 296.761 3.673 30 20 CHED C[C@H](Nc1cccc2nc(O)oc12)c1ccc(C#N)cc1 357285921 RFVLTEJVBJLUKE-JTQLQIEISA-N 279.299 3.578 30 20 CHED N#Cc1ccc(CSCc2ccon2)c(OC(F)F)c1 357384575 FLIGKUFYFROZLW-UHFFFAOYSA-N 296.298 3.581 30 20 CHED C=CCN(C(=O)[C@H](C)c1cc2ccccc2o1)C1CC1 357496593 QUDYAWBLNOYAOO-GFCCVEGCSA-N 269.344 3.713 30 20 CHED C=CCOc1ccc(C(=O)N(C)Cc2ccccc2C)cc1 357609113 BWZRIFWDCIXSHZ-UHFFFAOYSA-N 295.382 3.832 30 20 CHED CS[C@H](C)CCC(=O)N[C@@H](C#N)c1ccccc1Cl 358401807 IZZDKLJISGEEJS-MFKMUULPSA-N 296.823 3.553 30 20 CHED C=C(C)CN(CC)C(=O)c1sc(C(F)(F)F)nc1C 359923065 JVYMYCVDFGBDOG-UHFFFAOYSA-N 292.326 3.509 30 20 CHED COc1cccc([C@@H]2C[C@@H](C)CN2c2ccnc(C#N)c2)c1 367269054 GKTRWCFSNRLPFY-ACJLOTCBSA-N 293.370 3.549 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(Br)c(F)c1 389980952 IVRZRDOXMVUECM-RKDXNWHRSA-N 272.161 3.813 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 397611702 PGVPHCPZSIZWPN-LBPRGKRZSA-N 282.309 3.831 30 20 CHED C[C@H]1CN(CCCCC#N)[C@H](C)[C@H](C)N1Cc1ccccc1 404430217 OGSPCNHZCGBZFU-KSZLIROESA-N 299.462 3.664 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1cc2ccccc2o1 410125068 YHPCOBJEHQSZMT-CQSZACIVSA-N 271.360 3.836 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCCC1(C)C 411063513 LNZDTPXFHUAIRK-AWEZNQCLSA-N 284.359 3.526 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)SCCC#N 413015022 RMSXKJRISKKQDE-JTQLQIEISA-N 250.323 3.611 30 20 CHED CC(C)(CC#N)CNc1ccc(Cl)cc1[N+](=O)[O-] 413408813 NEAZAFNTFQCKSZ-UHFFFAOYSA-N 267.716 3.600 30 20 CHED CC1=CCC[C@H](C)[C@H]1CNCc1ccc(C#N)s1 421354359 WEHCVSIXUSDKGR-WFASDCNBSA-N 260.406 3.702 30 20 CHED C=C(C)C(C)(C)C(=O)N(CC)Cc1ccccc1C 424562495 CKJOVSSFGXMUQB-UHFFFAOYSA-N 259.393 3.946 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccccc1OC(C)C 424598650 RDFFJBCOIZFVNL-UHFFFAOYSA-N 275.392 3.692 30 20 CHED C[C@H](CCCC(F)(F)F)Nc1ncc2c(c1C#N)CCC2 425252262 ARUTVJNFWGFFQA-SNVBAGLBSA-N 297.324 3.975 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC(C)(C)C 425410003 XAISSKVYNOABEN-ZDUSSCGKSA-N 287.407 3.697 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)CCCC(F)(F)F 426396093 LYCXLUGFIZXMSZ-RYUDHWBXSA-N 292.345 3.858 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(NC(=O)c3ccco3)cc2)C1 442858447 HZDRLNJCVIECCB-WFASDCNBSA-N 295.342 3.636 30 20 CHED C=CC[C@@H]1N(Cc2nc(C(C)C)no2)CCCC1(C)C 444780029 DAOATWKNCBQYSY-ZDUSSCGKSA-N 277.412 3.760 30 20 CHED COC(=O)c1cc(NCc2ccc(C#N)c(C)c2)ccc1C 446808621 DDPYOIJHPGAQHF-UHFFFAOYSA-N 294.354 3.574 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1nc(C(C)C)c(C)s1 447571468 KFQBWBFJDOECSY-ZDUSSCGKSA-N 292.448 3.685 30 20 CHED CC[C@@H](NCc1ccc2c(c1)COC2)c1ccc(C#N)cc1 447589687 YPRMTGFWCLXMLD-LJQANCHMSA-N 292.382 3.829 30 20 CHED N#CCCCN[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 449236636 YJZSBIHMCGAUGL-GOEBONIOSA-N 276.811 3.945 30 20 CHED C=C(CC)CNCc1cc(Cl)cc2cccnc12 449729355 ARRPOWWHPXFTNJ-UHFFFAOYSA-N 260.768 3.944 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cccc(OC/C=C\C)c1 451419113 KRDDZTFQZUUHFL-OUOZUETKSA-N 287.403 3.655 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@]2(CCSC2)C1 451960562 CCZSXKZXZQHMBJ-RHSMWYFYSA-N 286.444 3.838 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2cnccc2c1 452143077 ZFSDRELEMYVTCJ-UHFFFAOYSA-N 268.360 3.567 30 20 CHED C=CCOc1ccc(CC(=O)N(C2CCC2)C2CCC2)cc1 452364463 MQZFCHQGCGVCHJ-UHFFFAOYSA-N 299.414 3.728 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(SCC)cc1 452778346 XRNHNWVEGRHKOD-UHFFFAOYSA-N 263.406 3.741 30 20 CHED C=CCC1(NC(=O)Nc2ccc(F)cn2)CCCCC1 455095704 CSEOBXSDOHVIJS-UHFFFAOYSA-N 277.343 3.621 30 20 CHED CC1(C)CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 455649186 CSSAFZHFXOWNPX-UHFFFAOYSA-N 298.430 3.776 30 20 CHED C=CCC1(NC(=O)c2ccc(COC)cc2)CCCCC1 456376557 DXRDNJLLNMFGBY-UHFFFAOYSA-N 287.403 3.842 30 20 CHED N#CCCCC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 456761966 JRGSCEFUZFXRJQ-SJORKVTESA-N 284.403 3.770 30 20 CHED C=CCC1(CNC(=O)N(CC)C2CCC2)CCCC1 459048000 IZVJRSUKXZHYCZ-UHFFFAOYSA-N 264.413 3.707 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)NCC(C)(C)CC#N)c1 459264735 ZUVBVTKYKUSQMW-MRXNPFEDSA-N 299.418 3.781 30 20 CHED N#Cc1nnc2ccccc2c1N[C@H]1C[C@H]1C1CCCCC1 462894782 IXGDYNGKIKGRNC-HOCLYGCPSA-N 292.386 3.882 30 20 CHED C=C[C@H](C)NC(=O)N1CC[C@@](C)(CCc2ccccc2)C1 464749740 FEWDCXDVCBBRNE-MAUKXSAKSA-N 286.419 3.615 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@H](CC)O1 464959599 ALIFXMBTMXSSLM-HOTGVXAUSA-N 279.424 3.539 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2ccc(Cl)cc2)CC1 466527675 KAKZEBMCWQMYMH-AWEZNQCLSA-N 277.795 3.843 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Sc1ccc(Cl)cc1 466648982 QPKRUSVUCZXVLW-NSHDSACASA-N 283.824 3.855 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 466779344 YZEVFRSYYOLMSK-DLBZAZTESA-N 286.419 3.615 30 20 CHED C=CCCN(C)C(=O)CCCCc1ccc(C)cc1 467084433 XQOGUVIDHFCQNS-UHFFFAOYSA-N 259.393 3.742 30 20 CHED C[C@@H](CCNCCc1cccc(C#N)c1)c1ccccc1 467543077 MNIWVRZMPXCJIN-INIZCTEOSA-N 278.399 3.884 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H]1CCC[C@H]1C 469815775 JCBZBWGTJGEQJV-HUUCEWRRSA-N 275.392 3.663 30 20 CHED C=CCOCCCN(CC(=C)C)Cc1ccccc1 470916179 APYYSKSVQVHJQV-UHFFFAOYSA-N 259.393 3.657 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)C1(C#N)CCCCC1 482564526 HOWOARBEYMWSKK-KGLIPLIRSA-N 276.424 3.791 30 20 CHED Cc1nc(N(C)CCc2ccc(Cl)cc2)ccc1C#N 488069513 UIEAEYGMXUXWSN-UHFFFAOYSA-N 285.778 3.594 30 20 CHED N#Cc1c(F)cccc1CSc1ccc(O)cc1 488272660 NTEOTTWHBBZPIL-UHFFFAOYSA-N 259.305 3.695 30 20 CHED C=CCCCCCN(C)[C@H]1CCN(CC)[C@H](C)C1 488467081 QOSQBMLUCWKLLZ-CVEARBPZSA-N 252.446 3.537 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(SC)c(OC)c1 489446919 JANXAZWRFZNCJK-CQSZACIVSA-N 277.433 3.958 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl 489466794 ZBDIUUNYSBAZLW-LBPRGKRZSA-N 280.755 3.789 30 20 CHED C=CCCCC(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 495122189 XLLIOESQLJTHOL-SJORKVTESA-N 287.403 3.597 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC(C)(C)c1cccs1 495213108 WAIDNODYQMDZLV-ZDUSSCGKSA-N 292.448 3.776 30 20 CHED C=CCCCCNc1cccc(N2CCOC2=O)c1C 496256437 PMNDWLIFYBTFKA-UHFFFAOYSA-N 274.364 3.720 30 20 CHED C=CCOc1ccc(C(=O)N(CCC)CC(C)C)cc1 499666509 BFWDCWATTQVZFB-UHFFFAOYSA-N 275.392 3.760 30 20 CHED C=CCCC[C@H](C)NC(=O)NCC(=C)c1ccccc1 501541873 KSMIFDXNKBQSCS-HNNXBMFYSA-N 272.392 3.744 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1N(C)C(C)C 504530283 RDPBGWQZJIPNFG-UHFFFAOYSA-N 288.435 3.750 30 20 CHED COCC[C@H](N[C@H](C)c1cccc(C#N)c1)C(C)(C)C 508996722 OLFXTXUXBVCSFF-CJNGLKHVSA-N 274.408 3.660 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N(C)CC(C)(C)C 510055426 KXODHWNGWXGBGN-UHFFFAOYSA-N 288.435 3.815 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](OC(C)C)c1ccccc1 512097669 FRJAISWSTCGAGI-HOTGVXAUSA-N 275.392 3.624 30 20 CHED Cc1coc(-c2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2)n1 517274553 JGOVVOVGPCOGLX-IUODEOHRSA-N 267.332 3.754 30 20 CHED C=C(C)CCNc1cccc(Cl)c1N1CCOCC1 519732866 WZRPVLVSMJBZBY-UHFFFAOYSA-N 280.799 3.555 30 20 CHED C=CC1CCN(Cc2ccc(OC(F)F)cc2)CC1 522081796 YCSGGSBOUIRFSQ-UHFFFAOYSA-N 267.319 3.686 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CCC)Cc1ccccc1 524403985 UEIXTISZROEJJO-QGZVFWFLSA-N 286.419 3.781 30 20 CHED CC[C@H](CCc1ccccc1)N[C@@H]1CC[C@@H](C#N)C1 527890293 HHEAZZUSSICZFQ-BRWVUGGUSA-N 256.393 3.680 30 20 CHED CCC(C#N)(CC)c1nc(-c2cc(C)cc(F)c2)no1 528099593 WUNXWSAQRGLQPE-UHFFFAOYSA-N 273.311 3.766 30 20 CHED CCC(CC)c1nnc(NC(=O)C(C#N)(CC)CC)s1 528126916 SREXVNJOEGHHEL-UHFFFAOYSA-N 294.424 3.710 30 20 CHED C=C(C)[C@H](CC(=O)NC[C@H](CC)c1ccccc1)OCC 533713798 TUDIMKFRNJVMOW-RDJZCZTQSA-N 289.419 3.668 30 20 CHED C=C(CC)CNc1ccc(F)cc1OCC(F)F 536889208 GNDNUKUQTSUQDG-UHFFFAOYSA-N 259.271 3.848 30 20 CHED C=CCN(C(=O)CCCCc1ccc(OC)cc1)C1CC1 537929389 IICFOFAUDVCJDN-UHFFFAOYSA-N 287.403 3.585 30 20 CHED C=CCC[C@H](NCc1ccccc1-c1cnn(C)c1)C1CC1 537949962 DHUQAGFAYLPYJC-IBGZPJMESA-N 295.430 3.922 30 20 CHED CC(C)CN(C(=O)[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 538463642 BOBHLCWWPVHKOY-GDBMZVCRSA-N 284.403 3.983 30 20 CHED C=C(CC)CSc1nc2ccsc2c(=O)n1CC 539112148 BRSYHCFOQPNGJO-UHFFFAOYSA-N 280.418 3.536 30 20 CHED C=C(C)CN[C@H](C)c1ccc(OCCC)c(OC)c1 540352393 ZSOMPZWZFKNMIH-CYBMUJFWSA-N 263.381 3.711 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)CCC[C@@H]1C 540489109 OGDXIAVWKKSOHL-KKUMJFAQSA-N 266.429 3.951 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@@H](C)Cc1cccs1 541250046 WDDCUNQFGPMSHD-QWHCGFSZSA-N 280.437 3.581 30 20 CHED CC[C@]1(C)CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 542722674 UADOVSBAOLQLPY-MRXNPFEDSA-N 290.794 3.864 30 20 CHED COc1ccc(CN(C)c2cccc(SC)c2)cc1C#N 546256049 URHHRCUQTJYGNM-UHFFFAOYSA-N 298.411 3.925 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCc2c(C)cccc21 546656996 GTUVKMMICOISSW-XJKSGUPXSA-N 272.392 3.636 30 20 CHED C=CCC(C)(C)C(=O)NCCCc1ccc(Cl)cc1 549970678 KIIMWAGEGBBYDW-UHFFFAOYSA-N 279.811 3.991 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1NC1(c2cccc(C#N)c2)CC1 551557287 BXBBWVQDTISOJR-CJNGLKHVSA-N 268.404 3.962 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 555548048 GXFCZGFAIBDYPX-QGZVFWFLSA-N 286.419 3.535 30 20 CHED C=CCN1CCC(NCc2ccc(C3CCC3)cc2)CC1 559268989 SBXNIPFTUROIAP-UHFFFAOYSA-N 284.447 3.694 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1cccc(OC)c1F 560630884 YDANNEGYBUAJRW-CYBMUJFWSA-N 293.382 3.628 30 20 CHED COc1cc(C)ccc1[C@H](C)NCC(C)(C)CCC#N 571668076 GXWBRHABOYRFAO-AWEZNQCLSA-N 274.408 3.984 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@H]1[C@@H](C)CCC 574495160 YVZSXBUZMQSXMS-GJZGRUSLSA-N 290.455 3.822 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)NCC2(C#N)CC2)c1C 576778217 NCBGZWJJWVOOMY-UHFFFAOYSA-N 294.354 3.597 30 20 CHED Cc1csc(NC(=O)N(C)[C@H]2CC[C@H](C)C2)c1C#N 576834740 QKMXDCSIQKMTCC-ONGXEEELSA-N 277.393 3.581 30 20 CHED N#Cc1cnccc1NC(=O)c1ccc(C2CCCC2)cc1 577796710 WPUXZNWBGKCNEM-UHFFFAOYSA-N 291.354 3.863 30 20 CHED C[C@H](S[C@H](C#N)c1ccccc1)C(=O)OC(C)(C)C 581677936 UERVPSKFYGRWJM-WCQYABFASA-N 277.389 3.715 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2c2cc(C#N)ncn2)cc1 583542861 BWUFJXCMXZXGFZ-KRWDZBQOSA-N 292.386 3.813 30 20 CHED N#CC1(CCSc2nccn3ccnc23)CCCCC1 583858677 YXUPCGLDFNSNHI-UHFFFAOYSA-N 286.404 3.686 30 20 CHED N#CCc1ccccc1NC(=O)c1cc2sccc2[nH]1 584551259 YPUNWOONKVYLFV-UHFFFAOYSA-N 281.340 3.548 30 20 CHED N#CCC[C@@H](C#N)CN1CCC(=Cc2cccc(F)c2)CC1 584728682 TYWCCVNFWARFFX-KRWDZBQOSA-N 297.377 3.748 30 20 CHED N#CCCCCCC(=O)NCc1coc2ccccc12 588157933 RLZPAVRQPVRKMV-UHFFFAOYSA-N 270.332 3.523 30 20 CHED N#CCCCCCC(=O)N[C@H]1C[C@H]1C1CCCCC1 588159351 QCLCTJPAMBEAKE-GJZGRUSLSA-N 262.397 3.545 30 20 CHED Fc1cccc(F)c1CON=Cc1cccs1 588410663 BSNDPUNSZSIBFA-UHFFFAOYSA-N 253.273 3.577 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)CCCCCC#N 588652365 QAXBIBWPKAHIFA-GJZGRUSLSA-N 264.413 3.888 30 20 CHED N#CCCCCCC(=O)Nc1cccc2ccc(O)cc12 588659304 VUCWPFWVBPDSET-UHFFFAOYSA-N 282.343 3.958 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCCc3occc3C2)n1 588863835 XEDXYQBZJGDAND-UHFFFAOYSA-N 295.386 3.797 30 20 CHED CC[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)C1CCCC1 590807535 IZZRCFMGQWXLSP-SUMWQHHRSA-N 299.418 3.887 30 20 CHED C[C@H]1CC2(CCOCC2)CN1CCCCC(C)(C)C#N 592184322 NUXCWZMXPWALPR-HNNXBMFYSA-N 278.440 3.597 30 20 CHED C[C@H](COCC1CC1)Nc1ccc(C(F)(F)F)cc1C#N 593509208 UMVOFMFTIFQRHJ-SNVBAGLBSA-N 298.308 3.804 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C 593510925 ZBDYUDHPABKKIM-HIFRSBDPSA-N 272.392 3.748 30 20 CHED CC(C)[C@H](C)N(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CC1 593960565 GSDHYVCNKJHSNT-CABCVRRESA-N 298.430 3.772 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(CCCCC#N)n1 594531751 WECUZMJMQZZMCC-OLZOCXBDSA-N 261.369 3.990 30 20 CHED CCc1nc([C@@H](C)N[C@@H](C#N)c2ccccc2)cs1 595429501 OVUWSAGKAAQBJN-YPMHNXCESA-N 271.389 3.621 30 20 CHED C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](CC#N)C1 595613343 BILSIFOWJCOOED-OLZOCXBDSA-N 275.396 3.659 30 20 CHED CC1(C)CC[C@@H](CSCCc2ccc(C#N)cc2)O1 596383718 FWMKPQPRAZNYLG-HNNXBMFYSA-N 275.417 3.792 30 20 CHED CCO[C@@H](CC)c1noc([C@H](C)Cc2ccc(C#N)cc2)n1 596619803 CDVBBMWGWOUMAJ-DOMZBBRYSA-N 299.374 3.775 30 20 CHED CC(C)c1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1 596627729 GKAUYDYGMBWHQH-CQSZACIVSA-N 285.391 3.968 30 20 CHED Cc1nc2ccc(NC(=O)CC3(C#N)CCCCC3)cc2[nH]1 596696025 YCXQRVCHBUZYIE-UHFFFAOYSA-N 296.374 3.674 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)N1CCC[C@H](CC#N)C1 597901320 UUOMYLIWAOECIE-CQSZACIVSA-N 299.418 3.533 30 20 CHED Cc1ncc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)s1 601297492 AQWKJBIJAJELAH-NXEZZACHSA-N 289.379 3.874 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](C)CCC#N 602440235 OSCVLLICKVUZPQ-HNNXBMFYSA-N 269.392 3.709 30 20 CHED CC(=O)Nc1ccc(NC[C@@H](C)CCC#N)cc1Cl 602484807 RKNCUIDFYFNFEX-JTQLQIEISA-N 279.771 3.650 30 20 CHED Cc1c(CNC[C@H](C)CCC#N)oc2ccccc12 602555550 IQHBDQWKZHYGKT-GFCCVEGCSA-N 256.349 3.771 30 20 CHED C[C@@H](CCC#N)CN1CC[C@H](C(F)(F)F)C1(C)C 602630436 PMOZJKCKTHLECT-QWRGUYRKSA-N 262.319 3.589 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2ccccc2cc1OC 604880222 HTNPABXVEKPBIH-LBPRGKRZSA-N 269.344 3.543 30 20 CHED C[C@@](C#N)(NC(=O)CCc1ccsc1)C1CCCCC1 609637988 IUOWOXCILOKLLF-INIZCTEOSA-N 290.432 3.659 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1cccc(C#N)c1 610356162 LDRRADTTZZYEOD-SUMWQHHRSA-N 297.402 3.593 30 20 CHED CC[C@@H](NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 611377219 BOKWYJPWYVUXTE-MRXNPFEDSA-N 285.778 3.848 30 20 CHED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC=CCC1 611509958 QCEOCEITRCWUNK-UHFFFAOYSA-N 287.725 3.665 30 20 CHED CC(C)c1ccc(SCC(=O)NCC(C)(C)C#N)cc1 611692220 OCIRZDXXERULSZ-UHFFFAOYSA-N 290.432 3.568 30 20 CHED CC1(C)CCC(CC(=O)N2CCC[C@](C)(C#N)C2)CC1 612237915 OTMUGFLOYAYHKQ-QGZVFWFLSA-N 276.424 3.745 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cscc2Cl)C1 612407064 YMBJMQJQBXTJFK-LBPRGKRZSA-N 254.786 3.527 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cc(C)ccn1 616747669 TZIGPANYXVFGEJ-UHFFFAOYSA-N 279.387 3.674 30 20 CHED C=CCCNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 617611297 SZPOJIKBLQGCMJ-UHFFFAOYSA-N 297.320 3.819 30 20 CHED C[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)C(C)(C)C 619767394 XHTIOSMMWXOGOP-SNVBAGLBSA-N 278.783 3.510 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1CCN(C2CCCCC2)C1 620859245 ZBLZWTCKUNVPFA-HNNXBMFYSA-N 292.467 3.502 30 20 CHED C=CC1CCN(Cc2cc(C)c(Br)cn2)CC1 628172254 AOPQNJNOUIQERL-UHFFFAOYSA-N 295.224 3.551 30 20 CHED C=CCN(C)C(=O)N[C@H](C1CCCCC1)C1CCC1 645688402 SYGURNUZUBLPSS-OAHLLOKOSA-N 264.413 3.563 30 20 CHED N#C[C@@H](C(=O)c1ccc(F)cc1)c1nc(C2CC2)cs1 647371122 KZMAJJHDMFBAPF-LBPRGKRZSA-N 286.331 3.650 30 20 CHED C=C[C@H](CO)N[C@H](C)c1oc2ccc(C)cc2c1CC 658332741 HJZKSTZKKPVPKV-CHWSQXEVSA-N 273.376 3.501 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccccc2OC)C1 664332809 HXNPKPCGHYZDSA-ZDUSSCGKSA-N 274.364 3.515 30 20 CHED C=CCC1(N[C@@H](C)CCc2ccsc2)CCOCC1 668550700 DSXJWKLDRVJASW-AWEZNQCLSA-N 279.449 3.784 30 20 CHED C=CCC[C@@H](NCC1(CO)CCCCC1)c1ccco1 671752974 JZUKLIWLZBIFIT-OAHLLOKOSA-N 277.408 3.819 30 20 CHED C=CCC[C@H](NC[C@H](CO)c1ccc(Cl)cc1)C1CC1 672619775 DUTUAFVYUZXZAA-WBVHZDCISA-N 293.838 3.750 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ccccc1OC(C)C 679283705 FLTRLIRSEGPGTJ-CQSZACIVSA-N 290.407 3.752 30 20 CHED C=C[C@@H](CC(=O)N(C)Cc1ccn(CC)c1)c1ccccc1 682949629 SXRLODOWLODTHK-KRWDZBQOSA-N 296.414 3.826 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1coc(C2CC2)n1 684234456 DGHFXPCILPUWLZ-UHFFFAOYSA-N 296.370 3.771 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccccc2cc1OC 684939609 SHMCXPGEAZVXMU-HNNXBMFYSA-N 283.371 3.933 30 20 CHED C=C(C)C[C@@H](C)c1nc(-c2ccc3cc[nH]c3n2)no1 685374493 JQODIFSQSXVBSO-SNVBAGLBSA-N 268.320 3.683 30 20 CHED CCCCCCC[C@@H](C)NCc1cnn(CC)c1 688498287 ZHLFSIUMXQNUKO-CQSZACIVSA-N 251.418 3.742 30 20 CHED CC[C@H](C)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 726468796 FSOQKUMHEWXXMI-VIFPVBQESA-N 281.812 3.639 30 20 CHED C#Cc1cccc(NC(=S)N(C)c2ccc(F)cc2)c1 726473800 QMVLPXINQWPVBM-UHFFFAOYSA-N 284.359 3.640 30 20 CHED C=C(C)CNc1ccccc1NC(=O)c1cccs1 726596029 GGPCQUFEUWOFCS-UHFFFAOYSA-N 272.373 3.988 30 20 CHED C=C(C)COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 727558651 ICZZGBAHRKYGIQ-UHFFFAOYSA-N 284.277 3.856 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1C 728438211 CBBRJMZCGZIQSL-UTCJRWHESA-N 286.302 3.744 30 20 CHED C=CCOc1ccc(/C=C/C(=O)O[C@H](C)CC)cc1OC 729078110 JVHUTBFLZVNPEJ-AORWBKJGSA-N 290.359 3.615 30 20 CHED Clc1ccccc1C=NNCCCc1ccccc1 729146325 SGNXNWGLEVOHFZ-UHFFFAOYSA-N 272.779 3.896 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccc(O)cc1F 729931829 VRHZORNQYUMRPC-UHFFFAOYSA-N 295.317 3.916 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2ccc(F)cc2F)s1 730588651 BWRYICNAUXOLAI-DUXPYHPUSA-N 294.278 3.621 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1F 731488508 IHBAJXAKKJQHQT-XQRVVYSFSA-N 298.313 3.801 30 20 CHED Fc1ccc(NN=C2CCc3cc(F)ccc32)cc1 734295152 BVARNXVBVSATOB-UHFFFAOYSA-N 258.271 3.727 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1nncc2ccccc12 734297394 KMSINBVQCTYYCD-UHFFFAOYSA-N 292.317 3.531 30 20 CHED C=CC[C@@H](NCC1=Cc2ccccc2OC1)c1ccncc1 734510808 ZPEVBULKOOKXPE-GOSISDBHSA-N 292.382 3.764 30 20 CHED C=CCCCOC(=O)CSc1nc2ccccc2s1 735532420 NROJWRUHEDZHCS-UHFFFAOYSA-N 293.413 3.898 30 20 CHED Clc1ccc2c(c1Cl)CCC2=NNc1cccnn1 735974263 BBIIGCKCEMTZPS-UHFFFAOYSA-N 293.157 3.546 30 20 CHED N#CCOc1ccc(Cn2cc(-c3ccccc3)cn2)cc1 735980228 USHYYOFBKASWAW-UHFFFAOYSA-N 289.338 3.501 30 20 CHED Cc1cccc(C)c1C(=O)OCc1ccc(F)cc1C#N 738703738 AHCIXHRLYUTVMC-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCc2cc(C#N)ccc2F)o1 742383588 RABDZJNRLQODKY-ABAIWWIYSA-N 284.334 3.704 30 20 CHED N#CCC1(COC(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 744275717 SWTBKTWDAHUQHL-UHFFFAOYSA-N 288.734 3.672 30 20 CHED CCC(=NNc1ccccc1Cl)C1CCOCC1 745193320 NDXPHNQBRSYOTK-UHFFFAOYSA-N 266.772 3.945 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cnn(C(C)C)c1 746677421 VXUJYYMDIMWJLU-UHFFFAOYSA-N 299.403 3.910 30 20 CHED C=CC[C@H](NC(=O)N(CC)C[C@@H](C)CC)c1ccncc1 748634833 PRJJNWVLLJODBE-HOCLYGCPSA-N 289.423 3.776 30 20 CHED O=C(/C=C/c1coc(-c2ccccc2)n1)c1cccnc1 749886254 JBZGLDAVOIZYKM-CMDGGOBGSA-N 276.295 3.633 30 20 CHED CC(C)CSCCCOC(=O)c1cccc(CC#N)c1 751677934 FDKQCNOIRCICAE-UHFFFAOYSA-N 291.416 3.689 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(-c2ccccc2)cc1 752266858 SESMSTWHQATPFV-UHFFFAOYSA-N 278.355 3.887 30 20 CHED C=CCN(C(=O)Nc1c(C)cc(N(C)C)cc1C)C(C)C 752362736 ASCJOKSQWDJKAQ-UHFFFAOYSA-N 289.423 3.798 30 20 CHED Cc1cc(C(=O)/C=C\c2nc(C(C)C)n3ccccc23)no1 752877418 NSLDTWUCXCEPEE-FPLPWBNLSA-N 295.342 3.650 30 20 CHED Fc1ccc(NN=Cc2cccc3[nH]ccc23)cc1 755471200 DWXABKGDOBOOLN-UHFFFAOYSA-N 253.280 3.753 30 20 CHED Clc1nc(Cl)c(C=Nn2cnc3ccccc32)s1 755610807 DEOWIIUQPJCQHO-UHFFFAOYSA-N 297.170 3.682 30 20 CHED CC(C)(C)CC=NNc1oc(C(C)(C)C)nc1C#N 755675721 ZMTUAPSAOIFNRH-UHFFFAOYSA-N 262.357 3.678 30 20 CHED CCn1cc(C=NO[C@H]2CCCCO2)c2ccccc21 755823834 SZLPQVUPDIOXAK-INIZCTEOSA-N 272.348 3.538 30 20 CHED C=CC[C@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2 756712450 QHJWVCCKQAIXSJ-QWHCGFSZSA-N 259.393 3.886 30 20 CHED C=CCC[C@@H](C)Nc1ccc(NC(=O)OCC)c(C#N)c1 757874808 JBUZCADEHDJBCS-GFCCVEGCSA-N 287.363 3.893 30 20 CHED Clc1ccc(OC2CCCC2)c(C=NNC2CC2)c1 758126780 ICXXGTUJQIHKDX-UHFFFAOYSA-N 278.783 3.747 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@@](C)(CC)C1)c1ccncc1 758779829 OQSZOUSRXMBQDE-DOTOQJQBSA-N 287.407 3.530 30 20 CHED C#CCCCC(=O)O[C@@H](CC)C(=O)c1ccc(Cl)cc1 759177114 YQFMESNGFIADRX-AWEZNQCLSA-N 292.762 3.648 30 20 CHED CC(C)CC(=NNc1ccccc1[N+](=O)[O-])c1ccccn1 760217613 XNQYVJAJKNQIBC-UHFFFAOYSA-N 298.346 3.852 30 20 CHED C=CCCOC(=O)c1ccc(Cl)cc1Br 761074274 JJOQIFKTZSUCEA-UHFFFAOYSA-N 289.556 3.835 30 20 CHED COc1ccsc1/C=C1\Cc2ccc(C)cc2C1=O 764432182 JZELRUVEGVCFNC-FMIVXFBMSA-N 270.353 3.888 30 20 CHED C=CCCCOC(=O)[C@@H](CC)c1ccc(F)cc1 764649222 WTFLKLQZMWWCNS-AWEZNQCLSA-N 250.313 3.829 30 20 CHED CCOc1ccc(C=NNc2ncnc3ccsc23)cc1 764839404 BWLPIRZXQWNSFJ-UHFFFAOYSA-N 298.371 3.536 30 20 CHED COc1ccc2c(NCc3ccc(C#N)cc3)ccnc2c1 765507367 CXTWHWSDWUOANE-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1c(C)cccc1C 765980431 BNISHAMWOCMVTG-HUUCEWRRSA-N 276.376 3.889 30 20 CHED CCCCCCCCCC(=O)N1CCOC2(CCC2)C1 766034858 DHSXCYMRKUMPOC-UHFFFAOYSA-N 281.440 3.909 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cc(F)ccc1F 766771272 AJFOMBVIXGUPKH-ZZXKWVIFSA-N 273.282 3.818 30 20 CHED CC1(C)CN(C(=O)/C=C/c2ccccc2C#N)CC(C)(C)C1 767190890 NTOKLVBJEHMNMH-MDZDMXLPSA-N 296.414 3.856 30 20 CHED C[C@@H](Nc1ccc(C#N)nn1)c1csc2ccccc12 767229957 JOCYPXLFLJUSNI-SNVBAGLBSA-N 280.356 3.736 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sc2cc(F)ccc2c1Cl 767232125 LWBJPWVDLRQTAQ-MRVPVSSYSA-N 295.766 3.788 30 20 CHED C#C[C@H](C)N(C)C(=O)C1(c2cccc(F)c2)CCCCC1 767251934 HODGUHWAMJZDRE-AWEZNQCLSA-N 287.378 3.508 30 20 CHED C[C@H]1CC[C@@H](OC(=O)c2ccc(Cl)c(C#N)c2)C1 767526680 OUPZWBVFPUGYCX-JOYOIKCWSA-N 263.724 3.557 30 20 CHED C=CC[C@@H](N[C@H](C)c1cncc(C)c1)c1ccncc1 768223172 KAPOAMVQNAEHAH-RHSMWYFYSA-N 267.376 3.753 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cccnc1C1CC1 768848753 CNODTISAROVGBQ-UHFFFAOYSA-N 286.375 3.836 30 20 CHED C=CC1CCN(Cc2cc(Br)ccc2O)CC1 769402519 ZYEFIHFPPFWPRM-UHFFFAOYSA-N 296.208 3.553 30 20 CHED CCn1nc(/C=C/C(=O)c2ccccc2)c2ccccc21 769742686 KNJROQJBFZGTER-OUKQBFOZSA-N 276.339 3.952 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(F)c(C#N)c1 770564961 CZEHNGUDKJANFD-CLFYSBASSA-N 265.287 3.902 30 20 CHED C[C@H](C#N)COC(=O)c1sc2ccccc2c1Cl 770945922 WSYOXGCEQQCIJX-MRVPVSSYSA-N 279.748 3.871 30 20 CHED CC(C)CNN=C1CC(c2cccc(Cl)c2)C1 771566799 KBSGIPVUWLVCBR-UHFFFAOYSA-N 250.773 3.819 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCCCCCC(C)=O)c1 771653580 QFRUAPHIMFESNL-UHFFFAOYSA-N 299.414 3.950 30 20 CHED C#CCSCCN[C@@H]1CCCOc2c(Cl)cccc21 773011728 UPHPCMNQMLCRLN-CQSZACIVSA-N 295.835 3.510 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)c(OC)c1)C2 773140150 OQNBTYZSARHCBZ-OVCLIPMQSA-N 294.350 3.835 30 20 CHED CS[C@H](C)CCC(=O)O[C@@H](C)c1cccc(C#N)c1 773779033 DHOUXTNENGDUOR-NEPJUHHUSA-N 277.389 3.694 30 20 CHED COCCC1(C/N=C\c2cccc(O)c2O)CCCCC1 773905721 LYWZCWOTCJQJGK-PDGQHHTCSA-N 291.391 3.504 30 20 CHED COc1ccc(C(=O)OCC2(C#N)CCCC2)cc1C1CC1 774189628 YYBHBRJADGLCCO-UHFFFAOYSA-N 299.370 3.813 30 20 CHED C#CCOc1ccccc1CNc1cccc2cc[nH]c12 775994712 LDGDYAXSQBRIGU-UHFFFAOYSA-N 276.339 3.792 30 20 CHED Cc1ccccc1CC(=O)O[C@H](C#N)C1CCCCC1 776363341 VBRPOQRQMQVMER-MRXNPFEDSA-N 271.360 3.553 30 20 CHED C[C@@H](CC(=O)OCCC(C)(C)C#N)c1ccc(F)cc1 776386530 VBIMEZKAYDOGGT-LBPRGKRZSA-N 277.339 3.802 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cc(F)ccc1C 777918398 AFECFQCQADETEX-FNORWQNLSA-N 269.319 3.988 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccc(CC)cc1 779736775 XFUKYLLOCAELIK-UHFFFAOYSA-N 271.404 3.791 30 20 CHED C#CCCCCCC(=O)N(CC)c1cccc(C#C)c1 779913827 APXLNARCMWXXLH-UHFFFAOYSA-N 267.372 3.605 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)CC(C)C 779930701 RAURERYFQCDYRN-UHFFFAOYSA-N 251.414 3.759 30 20 CHED C#CCCCCCC(=O)OCc1cc(C)ccc1OC 780258071 YAVUSEPUPSDNNA-UHFFFAOYSA-N 274.360 3.631 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1 781759057 CKJYIIYRNWMAQA-HOTGVXAUSA-N 269.388 3.694 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc(Cl)cc2F)c1 783513795 ILEVNCPIBFFJTK-UHFFFAOYSA-N 298.695 3.881 30 20 CHED CCOC(=O)Nc1ccc(NCCC(C)(C)C)cc1C#N 783660277 LWLBJWJAGRDDDS-UHFFFAOYSA-N 289.379 3.975 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2cccc(F)c2)c(Cl)c1 783830896 FBFOVVWPXULMAI-UHFFFAOYSA-N 293.685 3.833 30 20 CHED N#Cc1csc(C=NNc2ccc(C#N)c(Cl)c2)c1 783877486 KSUANCUSQZTPCP-UHFFFAOYSA-N 286.747 3.591 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)n1 785855354 RPORNPJIMGZXMQ-SNVBAGLBSA-N 285.174 3.569 30 20 CHED O=C(/C=C/c1ccc(Cl)c(F)c1)c1cncs1 787172388 LOYVPDCXXBDGIG-DUXPYHPUSA-N 267.712 3.832 30 20 CHED CCCCc1ccc(C(C)=NOC[C@@H]2CCOC2)cc1 788034293 PONGFABFMSBSRV-MRXNPFEDSA-N 275.392 3.806 30 20 CHED C#CCC1(C(=O)N[C@H]2CCc3cc(F)ccc32)CCCCC1 788173734 GFXPOIHKMRCINS-KRWDZBQOSA-N 299.389 3.903 30 20 CHED CCOCCC=NNc1ccccc1C(F)(F)F 788409409 WSXACQKSKDKSCS-UHFFFAOYSA-N 260.259 3.530 30 20 CHED C[C@H](NN=Cc1cc2ccccc2[nH]1)c1ccccc1 788426362 OPYOVNZOFKISCW-ZDUSSCGKSA-N 263.344 3.853 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C\c1cccnc1C)C2=O 788736269 QRBFPWNHSPLYIK-YVLHZVERSA-N 293.366 3.956 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)c1)c1cn[nH]c1 788939562 LHZZHHRAFBCNCU-UHFFFAOYSA-N 282.269 3.655 30 20 CHED C=C(Cl)CNC(=O)N1CCc2c(cccc2C(C)C)C1 789021174 JZYAEVXXZHNWAY-UHFFFAOYSA-N 292.810 3.630 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(-c2ccccc2)nc1C 791200870 HGSASXGJFNNPHP-MRXNPFEDSA-N 292.382 3.589 30 20 CHED CCCCCCCCCN1CCN(C(C)C)CC1 792204611 DSNYGOJOJRRPQQ-UHFFFAOYSA-N 254.462 3.763 30 20 CHED Clc1cccc(NN=C2CCC3(CCOCC3)CC2)n1 793173527 AVFKABHQEMVVMD-UHFFFAOYSA-N 293.798 3.874 30 20 CHED CC(C)C[C@H]1CCCC(=NNc2ncncc2F)C1 793217494 GBEGYDQWQZJPFH-LLVKDONJSA-N 264.348 3.620 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccccc1O 793227400 SFBXUNXEPGGWBJ-UHFFFAOYSA-N 267.372 3.971 30 20 CHED CSCCON=C1CCSc2c(Cl)cccc21 794572520 SQCKDQHBBPGGDA-UHFFFAOYSA-N 287.837 3.920 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc2occc2c1 794937223 WAIKZGPXVADOCW-OAHLLOKOSA-N 256.349 3.935 30 20 CHED CN(C)c1ccccc1CNN=C1CCC(C(F)F)CC1 794951573 GWZSCAXIKAVINY-UHFFFAOYSA-N 295.377 3.654 30 20 CHED Cc1ccc(COC(=O)C[C@@H](CC#N)c2ccccc2)cn1 796777678 OMIPEEURSVBQDW-QGZVFWFLSA-N 294.354 3.521 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cc(C)nc2ccccc12 797016758 LJBVXVXHAONYJO-QGZVFWFLSA-N 282.343 3.526 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc(Cl)cc1Cl 797090863 RGVYFKSVCWINOH-CYBMUJFWSA-N 286.158 3.976 30 20 CHED C=CC[C@H](OC(=O)c1cc(C#N)oc1C)c1ccccc1 797962374 XYDZGFHPVMCQKJ-INIZCTEOSA-N 281.311 3.934 30 20 CHED Cc1cccc(NC(=S)NN=C2CCC23CCC3)c1C 799868359 WAAOKAGXLXQXEC-UHFFFAOYSA-N 287.432 3.910 30 20 CHED CC(C)c1ccc(C(C)(C)NCCO[C@@H](C)C#N)cc1 801932740 WUTKDTNEWSPPRF-AWEZNQCLSA-N 274.408 3.563 30 20 CHED CCC(CC)CNN=Cc1ccc(C)cc1-c1cnn(C)c1 802712918 YFIMNHOZCHECFP-UHFFFAOYSA-N 298.434 3.755 30 20 CHED FC(F)(F)C(=NOCCOC1CCC1)c1ccccc1 805528814 PRBGUBVDVDTGDV-UHFFFAOYSA-N 287.281 3.539 30 20 CHED CC(C)(C#N)C(=O)OCc1c(Cl)ccc(F)c1Cl 806011907 VYERSZHMSPDUGX-UHFFFAOYSA-N 290.121 3.725 30 20 CHED O=C(/C=C\c1ccc(C(F)F)cc1)c1ccnc(O)c1 806555724 HRVJRTMOLAUMGP-UTCJRWHESA-N 275.254 3.621 30 20 CHED C[C@@H]1CC(=NNc2cccc(C#N)c2)c2ccccc21 807960781 NSOBVCQYCOXHFP-GFCCVEGCSA-N 261.328 3.882 30 20 CHED C#CCCCON=C(C)c1csc(-c2ccccc2)n1 808267358 DUFXFVVEPFGTKK-UHFFFAOYSA-N 284.384 3.964 30 20 CHED O=C(/C=C/c1cnccn1)c1ccc2ccccc2c1 809152670 VFYLTVHZNUGDOF-BQYQJAHWSA-N 260.296 3.526 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](c1nncn1C)C(C)C 809691910 NYRVFRMMLVKJFH-HUUCEWRRSA-N 280.460 3.851 30 20 CHED C[C@@H](COc1ccccc1)NN=C/C=C\c1ccc(F)cc1 811667508 WURYYTIHDIHRCG-OXMXPMBBSA-N 298.361 3.882 30 20 CHED CC(=NOC/C=C\Cl)c1cc(Cl)ccc1O 811670241 NJYJAPAFDVNVLJ-WLWPVCBVSA-N 260.120 3.539 30 20 CHED COc1cc(/C=C2\Cc3ccc(C#N)cc3C2=O)ccc1C 811697125 YFHHAOLDQKULHS-FRKPEAEDSA-N 289.334 3.698 30 20 CHED N#Cc1cccc(Oc2cc(C=O)cc(C(F)(F)F)c2)n1 811860195 JBTCGNLIPVKIJH-UHFFFAOYSA-N 292.216 3.577 30 20 CHED CCCC[C@H](C)N(C)C(=O)/C=C/c1ccccc1C#N 811958528 USJWBMMFCSFQCU-GETOMWPZSA-N 270.376 3.609 30 20 CHED CC(=NNc1ccccc1F)c1cc(F)ccc1F 812460193 NACPWIVOYLWCCF-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CCCCCCCC(=O)N1CCOC[C@@H](C2CCC2)C1 814164557 APKUHCBVNXTJGY-INIZCTEOSA-N 281.440 3.622 30 20 CHED CC(C)[C@H]1N(Cc2ccc(O[C@@H](C)C#N)cc2)CC12CCC2 814171019 HLUSRWMDFMQYAS-MAUKXSAKSA-N 298.430 3.988 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(N(C)C)c(Cl)c1 814333054 GMYRGMJVNMRXJD-UHFFFAOYSA-N 280.799 3.947 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OCC)c(Cl)c1 815050836 GILPGBQGAOZWHN-UHFFFAOYSA-N 289.709 3.889 30 20 CHED N#CCCOCCN(CCc1ccccc1)c1ccccc1 815068588 VVNIWPLHPLHNIM-UHFFFAOYSA-N 294.398 3.666 30 20 CHED C=CCOCCOC(=O)[C@H](c1ccccc1)[C@H](C)CC 815168029 INZUQWZTWHHBMI-ZBFHGGJFSA-N 276.376 3.562 30 20 CHED Cn1c([C@H](C#N)C(=O)C(F)=C2CCCC2)nc2ccccc21 815897961 NMUKAWADWJHXLY-GFCCVEGCSA-N 297.333 3.547 30 20 CHED C=CCC(F)(F)C(=O)Nc1cnc(-c2ccccc2)s1 815908458 BUCGYQMQDRLQSV-UHFFFAOYSA-N 294.326 3.960 30 20 CHED COc1cc(C#N)ccc1OCC[C@H]1CC1(Cl)Cl 818056904 IUFOOALEYSDYDV-JTQLQIEISA-N 286.158 3.530 30 20 CHED C[C@@H](NN=C1CC(C)(c2ccccc2)C1)c1ccncc1 819815070 LNFSOOFSBZGJAL-IKJXHCRLSA-N 279.387 3.840 30 20 CHED C#CCCCOc1cccnc1N(C)Cc1ccccc1 820599525 VEWDPWRRMDRUQQ-UHFFFAOYSA-N 280.371 3.510 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cn2cc(Cl)ccc2n1 821440048 UUGCYDZOQIGIGF-UHFFFAOYSA-N 292.766 3.633 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C#N)ccc1F 829015676 GJIGWNGSEHPQIS-LRDDRELGSA-N 288.366 3.738 30 20 CHED CC(C)[C@H]1CN(c2nc(Cl)c(C#N)s2)[C@@H]1C(C)C 829046243 ALZBYRRSWLXFPL-MWLCHTKSSA-N 283.828 3.785 30 20 CHED CCn1nnc(C)c1/C=C/C(=O)c1ccc(C(C)C)cc1 834409037 RFHFWINOLQLFSY-ZHACJKMWSA-N 283.375 3.626 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1cc(C)on1 835017984 DTQHCOBSCSQFJA-UHFFFAOYSA-N 257.337 3.943 30 20 CHED CC(C)(C)C#CC(=O)N(Cc1ccc(F)cc1)CC1CC1 837417858 BVLKHUHAJNNVGJ-UHFFFAOYSA-N 287.378 3.614 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 837593795 XXZYMXVWWUZRDN-HOCLYGCPSA-N 287.378 3.628 30 20 CHED C=CC(C)(C)C(=O)OCc1cc(-c2ccc(F)cc2)no1 837865721 VXALUNYGZZDBRK-UHFFFAOYSA-N 289.306 3.736 30 20 CHED COc1ccccc1C(C)=NOCc1ccccc1 839418333 LNSTUOOAQANKLH-UHFFFAOYSA-N 255.317 3.636 30 20 CHED CCCON=C(C)c1ccc(-c2ccncc2)cc1 842558346 XEWBYKFFEGIAAK-UHFFFAOYSA-N 254.333 3.899 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](CC(C)C)c1ccccc1 844283820 HRVZEWNECQVVGV-UKRRQHHQSA-N 276.380 3.579 30 20 CHED COCC(CC(C)(C)C)=NNc1ccc(Cl)nc1 844585104 JBMPKMWXXVWTPX-UHFFFAOYSA-N 269.776 3.586 30 20 CHED CC[C@H](OCCOC(=O)CC(C)(C)C#N)c1ccccc1 845155246 IJEUTTZNVYPIFR-HNNXBMFYSA-N 289.375 3.637 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1ccnn1CC1CC1)C2=O 849247358 BUNMZKKLFXVHOS-SXGWCWSVSA-N 296.395 3.931 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cc(C)on2)c(C)c1 849248493 TUZDYFYUBUWMTN-SOFGYWHQSA-N 271.316 3.586 30 20 CHED C=CCC[C@@H](NC(=S)NCC1CC1)c1ccccc1 849259549 HKBAUEAMIZLTAW-OAHLLOKOSA-N 274.433 3.568 30 20 CHED CC(C)C[C@H](C(=O)O[C@@H](C)C#N)c1ccc(Cl)cc1 849871120 MRJFMIUKPARFTD-FZMZJTMJSA-N 279.767 3.925 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2ccccn2)cc1C 850757403 ZUFOCYSRFAKHHT-BBWFWOEESA-N 290.366 3.678 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc(C)sc1-n1cccc1 850979442 QFZINZRQXNVYJN-GFCCVEGCSA-N 288.372 3.696 30 20 CHED C[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccc1F 851210413 QGAUAXQSOYGFMW-NEPJUHHUSA-N 277.339 3.801 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1c1c(C)cccc1C 852201657 KDEKALJEFJAHDX-QGZVFWFLSA-N 298.430 3.953 30 20 CHED C=CCN(Cc1cccc(Br)n1)C(C)(C)C 852554480 OBORAFWKCIGNLM-UHFFFAOYSA-N 283.213 3.631 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(C)cc1OC 853004148 HMAKYUIOJKGXEY-SOFGYWHQSA-N 284.359 3.506 30 20 CHED CCc1cnccc1C(C)=NNc1ccc(C)c(F)c1 853438466 CFGWFNZYLSBUSC-UHFFFAOYSA-N 271.339 3.928 30 20 CHED Cc1ccc(-c2nc(CON=CC3CC3)cs2)o1 853735437 SYNWCVZGJPAKTM-UHFFFAOYSA-N 262.334 3.624 30 20 CHED C#CCCCCC(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 855550462 MSQSMSAXOBADDT-KRWDZBQOSA-N 285.387 3.579 30 20 CHED CSC(C)(C)C(=O)Oc1cc(C)c(C#N)c(C)c1C 857621026 UGZZYKKBTFGXQT-UHFFFAOYSA-N 277.389 3.531 30 20 CHED C=CCN(C(=O)C(F)(F)c1ccc(OC)cc1)C(C)(C)C 857651076 QMMRYRXWVWPKEN-UHFFFAOYSA-N 297.345 3.600 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@@H]1CCC2(CCCCC2)O1 860198288 QYMSPOJTBGDYIB-AWEZNQCLSA-N 293.407 3.741 30 20 CHED C#CC[C@H](CCOC)N[C@H](C)[C@@H](C)c1ccc(Cl)cc1 862548368 DPTPNNINCDCPOF-CKEIUWERSA-N 293.838 3.850 30 20 CHED FC(F)(F)CCNN=Cc1csc(C(F)(F)F)c1 863109332 KFPVHFUKGKJYTQ-UHFFFAOYSA-N 290.232 3.643 30 20 CHED C[C@H](C#N)OCCNc1cccc(SC(F)(F)F)c1 863365945 UFKJQIFAWNJIHL-SECBINFHSA-N 290.310 3.639 30 20 CHED C[C@H](CCC#N)CNCc1cc(Cl)cc(Cl)c1O 877529484 FJJLGCZFANKBJT-SECBINFHSA-N 287.190 3.728 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(Cc2nc(C)no2)cc1 885616218 ZNELPSDVDXZHRS-CYBMUJFWSA-N 299.374 3.510 30 20 CHED CC[C@H](C#N)C(=O)N1CCC(c2cc(C)cc(C)c2)CC1 891290172 OOMGGXVFEISBIW-OAHLLOKOSA-N 284.403 3.559 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C)nc2C2CC2)cc1 899331791 BKBADJCJARMBNF-KTKRTIGZSA-N 266.344 3.502 30 20 CHED CCc1onc(C)c1C=NNc1ccc(Cl)c(C)c1 901277487 CICKVMXVSYLWGY-UHFFFAOYSA-N 277.755 3.953 30 20 CHED C[C@H](CC(=O)N(O)Cc1ccc(F)cc1)c1ccccc1 901378312 GFPWQZVHPILAMA-CYBMUJFWSA-N 287.334 3.737 30 20 CHED N#Cc1c(F)cccc1OCCCCC1(C#N)CCC1 901531517 ZBWWGAOMGAIRSB-UHFFFAOYSA-N 272.323 3.940 30 20 CHED C=CCN(CC=C)Cc1ccc(C(=O)O)cc1C(F)(F)F 902050875 RYVDAHFKPBNDBX-UHFFFAOYSA-N 299.292 3.578 30 20 CHED CC[C@H](NCc1ccc(C)nc1)c1cccc(C#N)c1 902750374 GLBUWPSCFSYTGE-KRWDZBQOSA-N 265.360 3.503 30 20 CHED C=CCN(C(=O)c1ccc2scnc2c1)C(C)(C)C 906035024 VEWFVAXLDYNWSY-UHFFFAOYSA-N 274.389 3.723 30 20 CHED C[C@@H](NC(=O)c1ccsc1C#N)[C@H](C)c1ccccc1 906884943 FOMBUHZZLWBTIB-NWDGAFQWSA-N 284.384 3.542 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](c1ccccc1)c1ncc[nH]1 908397336 BGSNLZPXZXKHOI-MRXNPFEDSA-N 297.402 3.560 30 20 CHED CCc1ccccc1NN=C1C(=O)Nc2c(C)cc(C)cc21 915051897 XWHIWYURDUBNGQ-UHFFFAOYSA-N 293.370 3.634 30 20 CHED C=CCN(C(=O)/C=C/c1ccc(Cl)s1)C(C)C 915153538 PMQIXAQSERGLMU-SOFGYWHQSA-N 269.797 3.838 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNc1nc(C)cc(O)n1 916241881 ZCGPTWFMWQMDON-GFCCVEGCSA-N 276.384 3.661 30 20 CHED CC(C)CC(=NNc1ccccn1)c1ccccc1 916276007 GJWNPMCHDCQEOU-UHFFFAOYSA-N 253.349 3.944 30 20 CHED Fc1ccccc1-c1ccc(C=NNc2ccccn2)o1 917025912 IDTHZJNQLAGXIG-UHFFFAOYSA-N 281.290 3.927 30 20 CHED Cc1ccc(N(C)Cc2ccccc2C#N)cc1C 917073519 WVSFPDCCOMBAOJ-UHFFFAOYSA-N 250.345 3.812 30 20 CHED CC(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140518 HUKLRONBFKMAEL-CYBMUJFWSA-N 295.367 3.514 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCc2cc(F)ccc21 920175610 YNSOPGUGKLUTBA-ZNBBLSJYSA-N 255.292 3.638 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)OCc1cc(C#N)ccc1F 920727133 KIJMYYAFKHIAJE-OCCSQVGLSA-N 289.350 3.957 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 920790440 YKHXXPUGBWUPFG-IJEWVQPXSA-N 298.386 3.550 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1cc(C)c(Cl)c(C)c1 921151248 DTPKPJGPUYHHIP-LBPRGKRZSA-N 282.767 3.843 30 20 CHED Cc1cc(C)cc(C=NNc2ncnc3sccc23)c1 921255939 HNCPMWJIMMGJQM-UHFFFAOYSA-N 282.372 3.754 30 20 CHED Cc1ccccc1/C=C1\COc2c(F)cccc2C1=O 921266434 PEOGVCNJSCHNMQ-UKTHLTGXSA-N 268.287 3.793 30 20 CHED C=CCCCCCCN[C@@H](C)c1cn(C(C)C)nn1 926424440 YRSKNBVTYKPBDO-AWEZNQCLSA-N 264.417 3.646 30 20 CHED COc1cc(N[C@@H]2CC[C@H](C#N)C2)cc2ccccc12 927160133 RURSTOKMSMZRFP-GXTWGEPZSA-N 266.344 3.953 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1ncc(-c2ccccc2)o1 930202263 VXCXFWZDYGLBOS-ZDUSSCGKSA-N 284.359 3.560 30 20 CHED C=CC1CCN(C(=O)Nc2cncc(C(F)(F)F)c2)CC1 1123447032 SLJMSBTYZLEKQT-UHFFFAOYSA-N 299.296 3.530 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(C#N)n1 1125575300 DDHSPRKUNHIVPB-DZGCQCFKSA-N 299.418 3.536 30 20 CHED C=C(Cl)CN1CCCC[C@@H]1Cc1ccc(OC)cc1 1307905142 JMSFNKKSYWBDDU-OAHLLOKOSA-N 279.811 3.845 30 20 CHED O=C(CC#Cc1ccccc1)N[C@H]1CCCc2sccc21 1321212624 BFZTYOBGWSCBKX-INIZCTEOSA-N 295.407 3.684 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1ccc(OCC#N)cc1 1323505169 JYVHGYSTTWCTJM-GOSISDBHSA-N 278.355 3.997 30 20 CHED Clc1ccccc1CNN=C1CCCc2cccnc21 1325141421 ZKHSFKQXIDUYBQ-UHFFFAOYSA-N 285.778 3.565 30 20 CHED CC(C)c1ocnc1CN[C@@H](C)c1ccc(C#N)cc1 1325217675 NLQZNODLAYVEQJ-LBPRGKRZSA-N 269.348 3.520 30 20 CHED CC(C)(C#N)c1ccc(-c2nnc([C@H]3CCCCO3)o2)cc1 1329109010 SGGMRNRWQYEUDO-CQSZACIVSA-N 297.358 3.779 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(F)cc1C(F)(F)F 1329175690 ZNOYJQQGQNFRKX-ONGXEEELSA-N 291.288 3.696 30 20 CHED CC[C@@H](COC(=O)CC#Cc1ccccc1)CC(F)F 1329400434 MGJBBWLNBCGVIT-CYBMUJFWSA-N 280.314 3.653 30 20 CHED C[C@H](CC1CCCCC1)C(=O)NCCc1ccc(C#N)cc1 1331130428 FWIXDEYXVYDGJP-OAHLLOKOSA-N 298.430 3.823 30 20 CHED CC#CCCNC(=O)c1nc(-c2ccccc2)oc1C(C)C 1337784806 FTSJYJRVBYMMGD-UHFFFAOYSA-N 296.370 3.608 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1NC(=O)NC(C)C 1338779902 AMXOJQZNDVHYTQ-UHFFFAOYSA-N 289.379 3.511 30 20 CHED CCc1cc(C#N)ccc1OCc1ncoc1C(C)C 1339883684 FZKBEWZHOHNSJH-UHFFFAOYSA-N 270.332 3.811 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CC(C)(C)C[C@@H]1C 1340532115 VLEPUEMLUNUXHG-RYUDHWBXSA-N 294.468 3.513 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(C)nc1Cl 1340965992 NETAAOPWUBWKEL-SNVBAGLBSA-N 252.745 3.584 30 20 CHED C[C@@H](NC(=O)C12CCC(CC1)CC2)c1ccc(C#N)cc1 1346570789 UJUXDALWMYRJKD-WRSVWVKZSA-N 282.387 3.706 30 20 CHED C=CCn1c(-c2ccco2)nnc1N(C)[C@@H](C)c1ccco1 1350518245 JXKRMDOLWPQKSX-LBPRGKRZSA-N 298.346 3.515 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 1351156873 HJXYRQDJZCDLTA-UONOGXRCSA-N 287.407 3.880 30 20 CHED Cc1cc(-c2noc(-c3csc(C#N)c3)n2)ccc1F 1353962359 CRABXDAJTIKERD-UHFFFAOYSA-N 285.303 3.784 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NCCC1(CSC)CC1 1357602366 OYDYULYCQUNDHJ-AWEZNQCLSA-N 296.480 3.660 30 20 CHED CC(C)[C@@H]1N(C(=O)[C@@H](CC#N)c2ccccc2)CC12CCC2 1450404608 ZOJRCBGOLGLSHU-IRXDYDNUSA-N 296.414 3.721 30 20 CHED Cc1ccccc1COC(=O)c1cc(C#N)ccc1C 1458817025 UKHTXJCTYOVRCU-UHFFFAOYSA-N 265.312 3.532 30 20 CHED N#Cc1csc(C(=O)Nc2ccccc2-c2ncco2)c1 1461823622 BJKULIGFBSAMTM-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCC1(CC)CCCN(C(=O)c2cccc(C#N)c2C)C1 1470115567 ACKQRBSOQKVYEF-UHFFFAOYSA-N 284.403 3.909 30 20 CHED Cc1csc(NC(=O)NC[C@@H](C)c2ccccc2)c1C#N 1476559180 QABYWGPECHVLAK-LLVKDONJSA-N 299.399 3.853 30 20 CHED Cc1ccc(C)c(C2CCN(c3cccc(C#N)n3)CC2)c1 1559296981 MLHGLYZGFDBTMD-UHFFFAOYSA-N 291.398 3.954 30 20 CHED CC(CCc1ccco1)=NNc1ccc(C(=O)O)c(F)c1 1592552036 JCDFPSIBBQXMDQ-UHFFFAOYSA-N 290.294 3.538 30 20 CHED Cc1ccc(Nc2ncccc2C#N)cc1N1CCCC1 1612867507 CBHFBWBXUOBBFA-UHFFFAOYSA-N 278.359 3.606 30 20 CHED COc1cc(CNc2nc(C#N)c(Cl)s2)ccc1C 1639339305 CLCGJXQVXKJZBN-UHFFFAOYSA-N 293.779 3.597 30 20 CHED CC[C@H]1CCCC[C@@H]1CNc1nnc(C)c(C)c1C#N 1639973208 SOTGOSPIZGGPJP-UONOGXRCSA-N 272.396 3.593 30 20 CHED CCOC(=O)c1ccc(C#N)c(S[C@H](C)[C@H](C)CC)n1 1640838428 NACIVIMLPQFMQI-GHMZBOCLSA-N 292.404 3.657 30 20 CHED CSCc1cccc(Nc2cc(C)c(C#N)cn2)c1 1642226394 AGFVYIWPHIRDQL-UHFFFAOYSA-N 269.373 3.868 30 20 CHED COc1cccc([C@@H](C)Sc2ncccc2C#N)c1 1642417224 MQNMPNVGYGZOFQ-LLVKDONJSA-N 270.357 3.815 30 20 CHED N#Cc1cc(CSc2ccc3[nH]ncc3c2)ccc1F 1652891024 YOQGCYOIUAKWAW-UHFFFAOYSA-N 283.331 3.866 30 20 CHED CC(C)CCN(CCC#N)CCc1c(F)cccc1F 1653501394 LRCYDROETLZWPI-UHFFFAOYSA-N 280.362 3.769 30 20 CHED COc1cc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)ccc1C#N 1659161107 YSGKRUXKSJCQLT-QGTPRVQTSA-N 298.430 3.967 30 20 CHED C=CCCC1(C(=O)O)CCN([C@@H]2CCc3ccccc32)CC1 1776168472 WLHPLZVTGIWBCI-QGZVFWFLSA-N 299.414 3.807 30 20 CHED C=CCc1ccccc1CNCCCCCCCC(=O)O 1776188786 QADDNOLIBKZASB-UHFFFAOYSA-N 289.419 3.930 30 20 CHED CCc1cccc(/C=C/C(=O)c2cc(C(=O)O)ccc2O)c1 1776974778 IMPZHXRHJTXJGW-SOFGYWHQSA-N 296.322 3.549 30 20 CHED C#CCOc1ccccc1CNCCC1=CCCCC1 19984236 ILFPHEPYVCPICC-UHFFFAOYSA-N 269.388 3.679 30 20 CHED C[C@H](Nc1ccc(CC#N)cc1)c1ccc(C#N)cc1 37071424 AIDOEWXBSTTWTE-ZDUSSCGKSA-N 261.328 3.797 30 20 CHED C=CCN(C(=O)CCc1c[nH]c2ccccc12)C(C)C 37500261 CRPQDRWUKGCAJY-UHFFFAOYSA-N 270.376 3.524 30 20 CHED C#CCOc1ccccc1CNc1cccc(OCC)c1 37780580 CTMQEZZOHMEASO-UHFFFAOYSA-N 281.355 3.709 30 20 CHED COc1ccc([C@H](C)CC(=O)Nc2ccccc2C#N)cc1 40643345 KWBNMSRBWLIMBO-CYBMUJFWSA-N 294.354 3.699 30 20 CHED CCOC1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 40690056 SNDMXRDSKQVNRO-UHFFFAOYSA-N 298.308 3.582 30 20 CHED CCc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1 41519862 VSUHUVQKORPTBP-ZDUSSCGKSA-N 270.357 3.504 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)SC 42847494 NDYBROBHGNKLOF-SECBINFHSA-N 289.853 3.668 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)COc2ccccc21 48501944 XYYGOTGOCLHBLH-YRNVUSSQSA-N 272.250 3.624 30 20 CHED N#Cc1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 49963187 WQEHFUHQTMSACF-UHFFFAOYSA-N 287.706 3.732 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1C[C@H]1c1cccc(F)c1 67384185 JPRDSPVUXOCYGV-GXSJLCMTSA-N 293.754 3.775 30 20 CHED CCc1c(C)sc(NC(=O)c2cnc(C)s2)c1C#N 68677043 FTYYZWNWAHVXAV-UHFFFAOYSA-N 291.401 3.508 30 20 CHED N#CCCCCSc1ncccc1Br 70614886 ZGWFNCUDWQTEMC-UHFFFAOYSA-N 271.183 3.630 30 20 CHED CC[C@@H](CNCc1ccc(C#N)cc1)c1ccccc1 70755009 QLJXPQZWYSJSKW-KRWDZBQOSA-N 264.372 3.842 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(C)c(C)c1 73623361 FKDKEOSVTMJBTE-OAHLLOKOSA-N 274.408 3.528 30 20 CHED N#Cc1ccc(N[C@@H](CCCO)c2ccccc2)c(F)c1 77238087 HGPOACBBKWBGSW-INIZCTEOSA-N 284.334 3.623 30 20 CHED C=CCCC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 78184856 ILQNZRZBSSYYKV-HUUCEWRRSA-N 257.377 3.666 30 20 CHED Cc1cccc(C)c1NC(=O)c1ccc(F)c(C#N)c1 82271804 OTQMZGAARPQLNP-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(F)cc1C(F)(F)F 93091193 YHZJCTLYNVBGQE-VIFPVBQESA-N 274.261 3.578 30 20 CHED CCCCCCCC(=O)Nc1cccc(NC(C)=O)c1 100288375 FHPJXKHQBXHQRQ-UHFFFAOYSA-N 276.380 3.944 30 20 CHED COc1cc(CN(C)CCCCC#N)ccc1SC 102399063 ZRCOCPGHBMSXDD-UHFFFAOYSA-N 278.421 3.543 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC[C@@H]2C)c1 105017798 RZNZZYCHRMKLDP-WFASDCNBSA-N 274.364 3.562 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(Cl)o1 106422507 DLMQSKRRCJSDGD-UHFFFAOYSA-N 268.744 3.525 30 20 CHED C=CCCCSc1nnc(-c2ccc(OC)cc2)n1C 117548209 JHCXAPRNULVPRY-UHFFFAOYSA-N 289.404 3.549 30 20 CHED CCCCC[C@@H](C)CC(=O)N[C@H](C#N)C(C)(C)C 122471557 LKDWMTFNEIXOPQ-CHWSQXEVSA-N 252.402 3.647 30 20 CHED C=C(Br)CN[C@H](C)[C@H](C)c1ccccc1 125033014 SAQNBYJPQGPYFP-NWDGAFQWSA-N 268.198 3.677 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)CCC 126359666 DKRYLIWTSMUYET-LBPRGKRZSA-N 251.395 3.699 30 20 CHED C=C[C@H](C)Nc1nc(-c2cccnc2)nc2ccccc12 129248764 NOPYKNXJRHDYKZ-LBPRGKRZSA-N 276.343 3.678 30 20 CHED Cc1nccn1-c1ccc(C(=O)/C=C/c2cncs2)cc1 130110775 XBNLCZWBNCMJNU-VOTSOKGWSA-N 295.367 3.533 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1ccc(Cl)s1 130196648 DDPJZGZTNMZBJQ-UHFFFAOYSA-N 292.747 3.534 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H]2CCCC[C@@H]21 130410272 MICPTKZYORXJAC-RDJZCZTQSA-N 284.403 3.721 30 20 CHED C=CCC[C@@H](C)Nc1ccc(NC(=O)C2CC2)cc1 130598836 STVIKWALGNAICJ-GFCCVEGCSA-N 258.365 3.802 30 20 CHED N#Cc1cc(NCCc2ccccn2)ccc1C(F)(F)F 130950894 VIDBEWDPMLQBHN-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccnc(C)c1Cl 135175287 RLMMGRCGXOFMRF-ZDUSSCGKSA-N 252.745 3.584 30 20 CHED N#Cc1ccc(SCc2noc(C3CC3)n2)c(Cl)c1 154168734 YBMASDZPSAETJQ-UHFFFAOYSA-N 291.763 3.764 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c1 154463881 HGYLVXRMMCCQRL-KDOFPFPSSA-N 290.366 3.893 30 20 CHED CN(C(=O)c1c(F)cc(C#N)cc1F)C1CCCCCC1 154683622 CAUGFZQKWXPETN-UHFFFAOYSA-N 292.329 3.631 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1nc(-c2ccccc2C)no1 155276703 YOZAXBCVVFEEKW-OCCSQVGLSA-N 298.390 3.588 30 20 CHED C=CCCNc1ccc(CC(=O)N(C)c2ccccc2)cc1 157160965 LCENOQSPSAMYMJ-UHFFFAOYSA-N 294.398 3.880 30 20 CHED C=CCC[C@H](NCCOCC(F)(F)F)c1ccccc1 159941086 GWOMGLJSWZCVCM-AWEZNQCLSA-N 287.325 3.862 30 20 CHED C=CCN(C)C(=O)c1csc(-c2ccc(C)cc2C)n1 161456753 CMUHHOXTYUISGO-UHFFFAOYSA-N 286.400 3.685 30 20 CHED N#Cc1c(Br)cccc1NCCC1CC1 164999468 RAPIVRMMBINNER-UHFFFAOYSA-N 265.154 3.533 30 20 CHED C=CCCCCCN(C)CCc1scnc1C 172655253 HVBDDHAYWOEXIO-UHFFFAOYSA-N 252.427 3.672 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1oc(C)cc1C 175507224 DKISKGRXXZMNHV-UHFFFAOYSA-N 296.370 3.821 30 20 CHED CC(C)Oc1nnc(SCCCC(C)(C)C#N)s1 177255840 UDPJLUYFOKDVOV-UHFFFAOYSA-N 285.438 3.747 30 20 CHED C#CCCCCNC(=O)c1sc(C)nc1-c1ccccc1 177354633 CJKCJPPEIADINM-UHFFFAOYSA-N 298.411 3.652 30 20 CHED C=C(C)CS[C@@H]1CCN(c2ccccc2Cl)C1=O 177866816 PBNZQSKNWYTSJZ-CYBMUJFWSA-N 281.808 3.755 30 20 CHED Cc1cc(C)c(C[S@](=O)Cc2ccc(C#N)cc2)c(C)c1 178033117 UMBKOQFQQGOKJE-OAQYLSRUSA-N 297.423 3.932 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCC[C@@H](C)C1 178547476 GJBPRTWVSMVIEZ-DOMZBBRYSA-N 285.391 3.909 30 20 CHED CC(C)Oc1ccc(NCc2cccc(C#N)c2)cc1C#N 178788121 LJVZVYBHHJVGPO-UHFFFAOYSA-N 291.354 3.829 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C#N)c1C 178814271 XJVRHGXHDZJNBH-ZIAGYGMSSA-N 296.395 3.979 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 180018965 YUAWRGRTVIEHDF-UHFFFAOYSA-N 288.269 3.625 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCO[C@H](CCC)C1 180686182 WSPAUZGSOFGVDJ-HZPDHXFCSA-N 281.440 3.787 30 20 CHED CN(CCCSCC#N)c1ccc(F)c(Cl)c1 181516110 DHSIYSIIUNCPHW-UHFFFAOYSA-N 272.776 3.562 30 20 CHED CC(C)c1ccc(CN(C(=O)NC[C@H](C)C#N)C2CC2)cc1 182817424 ZOLYOLWCFNVSPA-CQSZACIVSA-N 299.418 3.644 30 20 CHED CCCOc1ccc(CNC[C@H](C)C#N)c(OCCC)c1 183831059 LMYIKOJIWMAIIR-CQSZACIVSA-N 290.407 3.513 30 20 CHED C[C@@H]1CCC[C@@H](Cn2cc(C#N)c(=O)c3ccccc32)C1 185529285 RMGSBEAWUANVPN-ZIAGYGMSSA-N 280.371 3.699 30 20 CHED CC(C)Oc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 185724601 OFHQJWWJUHXVDV-ZFWWWQNUSA-N 258.365 3.968 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCc2c[nH]c3ccccc23)C1 185817258 QSOPPBQQWYDICF-ZBFHGGJFSA-N 281.403 3.772 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)[C@@H](C)Cc1ccsc1 186294093 PMNLEYBBECYCHD-UONOGXRCSA-N 295.448 3.509 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@H](C)C1)c1ccccc1 187272687 VCPTXJSLIITZNC-HOCLYGCPSA-N 257.377 3.605 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)Cc1ccccc1C 190760815 OKVCFERACWATEV-PBHICJAKSA-N 259.393 3.645 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)Cc1cc(C#N)n(C)c1 191355444 SBJSVCOYPITKLY-GOSISDBHSA-N 281.403 3.726 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)c(F)c2)n1 192075877 LUAGGEJCDNSDPU-GOSISDBHSA-N 295.361 3.738 30 20 CHED C#CCCCC(=O)N[C@H](c1ccccc1)C(C)(C)C 192171496 FYINUYJWFUOYOA-MRXNPFEDSA-N 257.377 3.694 30 20 CHED Cn1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)n1 210580494 RQRQVMFYTMAYBI-HYXAFXHYSA-N 281.142 3.623 30 20 CHED CC1(C(=O)Nc2ccc(C#N)cc2Cl)CCCC1 226348656 QKWBLYGFUFAZGE-UHFFFAOYSA-N 262.740 3.730 30 20 CHED CCCCCCCCC(=O)N[C@H]1C[C@H](C)O[C@H](C)C1 245681885 PFWZNOOLJYXBJQ-QDMKHBRRSA-N 269.429 3.809 30 20 CHED C=CCN(C(=O)CNc1c(C)cccc1C)c1ccccc1 247874854 NGDRUQNKOBJRGS-UHFFFAOYSA-N 294.398 3.935 30 20 CHED C[C@H](NC(=O)Nc1cccc(C#N)c1)[C@@H]1C[C@H]2CC[C@H]1C2 248852406 HGRHFYFCCMDRGO-DUPGQFARSA-N 283.375 3.504 30 20 CHED CC(C)c1nc(C#N)c(NN=C/C=C\c2ccccc2)o1 254489802 ZYXPDZCAJQKANO-BMWAZNHVSA-N 280.331 3.781 30 20 CHED N#Cc1ccc(/C=C2/CCc3cc(F)ccc3C2=O)cc1 255587630 IWBAFWCRLWETBV-DHDCSXOGSA-N 277.298 3.910 30 20 CHED CCOc1cccc(C=Nc2ccc(CC#N)cc2)c1O 255659114 SBWJJYNEEYRCSL-UHFFFAOYSA-N 280.327 3.608 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H]1CCc2ccccc21 268203046 ZGOCELDHVULWSM-QGZVFWFLSA-N 269.388 3.901 30 20 CHED C=CCN(C(=O)Nc1c(C)cccc1OC(F)F)C1CC1 271427668 APENSKPOYUMRNA-UHFFFAOYSA-N 296.317 3.779 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C)(C#N)CC1 272486996 BTKPEPHVWXVEAG-CYBMUJFWSA-N 287.363 3.590 30 20 CHED Cc1ccnc(N2CC[C@H]2c2ccc(Cl)cc2)c1C#N 273424208 ZHONWQOPBOJARO-HNNXBMFYSA-N 283.762 3.867 30 20 CHED CC[C@@H](C)c1noc(/C=C/c2ccc(OCC#N)cc2)n1 273628858 ABEISNFYRDQNFL-UVMWJGKXSA-N 283.331 3.656 30 20 CHED Cc1cncc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c1 274387646 NTQUQDYKSUYEEL-CQSZACIVSA-N 277.371 3.602 30 20 CHED C=CCCCCNC(=O)N[C@H](CCC#N)c1ccccc1 274464131 CFDQRJPGBFHHFY-MRXNPFEDSA-N 285.391 3.687 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2cc3ccccc3o2)no1 275411932 GFEUGMDSZFBYGJ-KRWDZBQOSA-N 298.342 3.963 30 20 CHED C#CCCCOc1ccc(-c2c(C)noc2C)cc1 278133411 OMBLBZRXTCYOHK-UHFFFAOYSA-N 255.317 3.751 30 20 CHED CN(C(=O)CC(C)(C)C#N)c1ccc(C(C)(C)C)cc1 278331530 XALVWCXALPNUAP-UHFFFAOYSA-N 272.392 3.887 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 278880540 WFQYRDFCPLPFKF-NXEZZACHSA-N 269.797 3.540 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CCCc1cccs1 281242377 TUKINWZZAAMLRF-UHFFFAOYSA-N 299.399 3.623 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CCc2cccs2)cc1 290242926 SCTJRRLTMSKGHS-MRXNPFEDSA-N 298.411 3.624 30 20 CHED C[C@@]1(CNc2ccc(C#N)cc2)OCCc2sccc21 290627357 GTSHVYDAVNDGNV-INIZCTEOSA-N 284.384 3.520 30 20 CHED COCCCCc1cccnc1N[C@@H]1CCC[C@H](C#N)C1 291142783 YEZDXRNBUKZQQV-GOEBONIOSA-N 287.407 3.545 30 20 CHED C[C@H](SC[C@@H]1CCC[C@@H](O)C1)c1ccc(C#N)cc1 291817650 DPDMWXXLJRHWOY-JGGQBBKZSA-N 275.417 3.904 30 20 CHED COCCCCc1cccnc1NCc1cccc(C#N)c1 292540155 MJHZKQHRVJPRDP-UHFFFAOYSA-N 295.386 3.534 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(C(F)(F)F)c1 292905700 WMMCDEDCTSLXJN-UHFFFAOYSA-N 297.280 3.639 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)CC(C)(C)C1CC1 293538764 RVILJNHWDSLQJE-LBPRGKRZSA-N 286.375 3.742 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1conc1CC)c1ccccc1 294205875 SNRKZTIOUJCWAW-CQSZACIVSA-N 298.386 3.555 30 20 CHED CCCCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[C@H](C)C1 294439760 ZHUVWFOIAWZGIJ-ZFWWWQNUSA-N 287.407 3.707 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)[C@H](C)c1ccccc1 295138702 IVGKQAITYCPIQW-DOXZYTNZSA-N 296.414 3.769 30 20 CHED N#Cc1cccnc1NCC1(c2ccc(F)cc2)CCC1 301133621 VUYALWHLCOFDCC-UHFFFAOYSA-N 281.334 3.626 30 20 CHED N#Cc1c(F)cccc1Nc1cnn(Cc2ccccc2)c1 301139317 GJQXMCXNTUJPSY-UHFFFAOYSA-N 292.317 3.686 30 20 CHED N#Cc1cnc2ccccc2c1NCc1cc(F)ccc1F 301205691 SJLLOIWQPVKYSA-UHFFFAOYSA-N 295.292 3.997 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](Nc1nccnc1C#N)c1ccc(Cl)cc1 301427267 DYXHUXSURJNUKR-DGFSRKRXSA-N 298.777 3.811 30 20 CHED CC(C)Oc1cccc([C@H](C)Nc2ccc(C#N)nc2)c1 301525650 PNHZZJFNLVRYNZ-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C[C@@H](Nc1cc(Cl)ccc1C#N)C(C)(C)CN(C)C 301649639 RHCYQHHXAVVDRJ-LLVKDONJSA-N 279.815 3.600 30 20 CHED CCc1cccc(N/C(N)=N/CCSc2ccccc2)c1 303775404 GVFASDDHEOSNKQ-UHFFFAOYSA-N 299.443 3.768 30 20 CHED C[C@@H]1SCC[C@H]1Nc1cccc(Br)c1C#N 309824698 HHNWJMYDHLNJFT-GZMMTYOYSA-N 297.221 3.627 30 20 CHED CCOc1cccc(CNc2cccc(CC#N)c2)c1 313448685 NXUNAWKPSHAXQL-UHFFFAOYSA-N 266.344 3.763 30 20 CHED CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)C12CCCC2 315813164 ISCKFBMMCPOXKM-ZTFGCOKTSA-N 298.430 3.947 30 20 CHED C=CCOc1ccccc1CN[C@H](C(C)C)C1CC1 324206521 CEZWLKOYNKBRRQ-QGZVFWFLSA-N 259.393 3.776 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cccc3c2CCCC3)CC(O)=N1 329334196 KOVUKYMTRWVLAM-DGCLKSJQSA-N 286.375 3.908 30 20 CHED Cc1csc([C@@H](C)/N=C(/O)c2cccnc2C2CC2)n1 329659357 OAJZNLGQBLEOGZ-SNVBAGLBSA-N 287.388 3.790 30 20 CHED Cc1nnccc1N=C(O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 330156352 OPCLEKNOFBKNPU-GXTWGEPZSA-N 290.411 3.525 30 20 CHED CC1(C)C(O)=Nc2ccc(/C(O)=N/[C@@H]3CC=CCC3)cc21 330207688 AMZRPPUABVONRU-GFCCVEGCSA-N 284.359 3.979 30 20 CHED CC(=O)c1ccc(/C(O)=N/[C@H]2CCCCC2(C)C)cc1O 331359184 WDWUPROLCRAEHD-HNNXBMFYSA-N 289.375 3.868 30 20 CHED CCCCc1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 334029011 VIXINPGECJZQMP-ZBFHGGJFSA-N 285.391 3.843 30 20 CHED Cc1ccnc(N2CCC(CCC#N)CC2)c1Cl 335377133 AOPSWOLEGTYVET-UHFFFAOYSA-N 263.772 3.564 30 20 CHED C[C@H]1CC(C(=O)N2CCC(CCC#N)CC2)C[C@H](C)C1 335501483 QTPXUIMQCDIXMA-ZIAGYGMSSA-N 276.424 3.601 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2sccc2-c2ccccc2)C1 335542596 WEGNHPZVUJLGPX-GXTWGEPZSA-N 296.395 3.837 30 20 CHED Cc1cccc(NC(=O)c2ccc(CC#N)cc2)c1Cl 335844603 GQHKJXMZZIZEEQ-UHFFFAOYSA-N 284.746 3.967 30 20 CHED Cc1csc(Sc2nc(C)c(C#N)cc2Cl)n1 336711054 NKZLFJHQJKGKJY-UHFFFAOYSA-N 281.793 3.831 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2nccs2)C1 339030160 TVEVDUITUNYXDX-VHDGCEQUSA-N 283.400 3.514 30 20 CHED Cc1nsc(Oc2ccc3cccnc3c2)c1C#N 340903863 NNLVPWPGOGHFCF-UHFFFAOYSA-N 267.313 3.664 30 20 CHED N#Cc1ccnc(N(Cc2ccc(Cl)cc2)C2CC2)c1 341724336 WACNRGIUEITWJA-UHFFFAOYSA-N 283.762 3.776 30 20 CHED CC[C@@H](c1ccncc1)N(C)c1nccc(C#N)c1Cl 342367957 ZALVFWRXAGBMRZ-ZDUSSCGKSA-N 286.766 3.589 30 20 CHED CCS[C@@H]1CCC[C@@H](Nc2cc(C#N)cc(C)n2)C1 342818271 VLTQCVHROMZZBG-ZIAGYGMSSA-N 275.421 3.738 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cccc(N2CCCC2=O)c1 343463674 MQPJRJYCLKSIGE-HOCLYGCPSA-N 286.419 3.819 30 20 CHED C[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccc2n[nH]cc2c1 343984542 VNRCTRBNETWBFQ-SECBINFHSA-N 298.296 3.886 30 20 CHED Cc1oc(C(C)C)cc1C(=O)NCC(C)(C)CCC#N 345980989 CTIVZQRSCVZPKK-UHFFFAOYSA-N 276.380 3.771 30 20 CHED N#Cc1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl 346093384 RPSKBPWVGOTJQU-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1cnccc1/C=C\c1ccccc1OC(F)F 347437236 UUIDLWHCNXBDEW-WAYWQWQTSA-N 272.254 3.725 30 20 CHED C=CC[C@H]1N(c2nnc(C3CCC3)n2C)CCCC1(C)C 349468616 YZFMACVSKYQOIZ-CQSZACIVSA-N 288.439 3.654 30 20 CHED CCC(CC)CN(CCC#N)CCC(F)(F)F 353995324 HSERPPYHZHPMBC-UHFFFAOYSA-N 250.308 3.591 30 20 CHED N#CCCCCNC(=O)c1cscc1-c1ccccc1 354265904 BJGYKOAMUPWKQO-UHFFFAOYSA-N 284.384 3.839 30 20 CHED COc1ccc(C#N)cc1NCc1csc(C(C)C)n1 354847615 HMSFPEJUAVHWOV-UHFFFAOYSA-N 287.388 3.759 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(F)c(C)c1 354855101 CMHABZQSUDFZGA-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CC1 356122257 YDLDPIAOFXYQCW-INIZCTEOSA-N 298.430 3.518 30 20 CHED C=CCCN(C)C(=O)C[C@@H](c1cccs1)n1cccc1 357010652 MNVLNEWTQZLPSV-AWEZNQCLSA-N 288.416 3.564 30 20 CHED Cc1cc(CNc2cccnc2C#N)c2[nH]c(C)c(C)c2c1 357187442 KRDZTJMRLQDNEA-UHFFFAOYSA-N 290.370 3.972 30 20 CHED CC[C@@H](O)CCCNc1ccc(C(F)(F)F)c(C#N)c1 357498624 CBIPUJITPFLATC-GFCCVEGCSA-N 286.297 3.540 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 362368422 AZFIDWAFYPIEFX-BXKDBHETSA-N 296.823 3.751 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC3CCC2CC3)cc1 366411767 FYVXRYBNQPCTJU-UHFFFAOYSA-N 282.387 3.502 30 20 CHED CC(C)(C#N)CCCCN1CCOC[C@H]1c1ccccc1 375405749 QTACNBRYJMOLJP-KRWDZBQOSA-N 286.419 3.780 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](N(C)C)CC1 377318467 VZHNSHIDHLNANG-INIZCTEOSA-N 282.472 3.680 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cc(OC)ccc1OC 393792111 FLKPHEOBVNEISR-QWHCGFSZSA-N 263.381 3.709 30 20 CHED C=CC(C)(C)C(=O)N(C)[C@@H](CC)c1ccccc1OC 410860736 BRPQLBHUGDUUJS-AWEZNQCLSA-N 275.392 3.817 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H](C)CC(F)F)cc1C#N 412192801 DBKWVDWRLYEVFN-SNVBAGLBSA-N 296.317 3.575 30 20 CHED CC[C@H](NCC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 414162452 HARXFZDWADKWLP-ZJPYXAASSA-N 284.403 3.557 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cnn(Cc2ccccc2)c1 414167102 OOKPOWNTZMTDGJ-OAHLLOKOSA-N 296.418 3.522 30 20 CHED C[C@@H]1C[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)[C@@H](C)O1 414260151 MVPDNDAPTQIHDZ-BCXHYRKLSA-N 298.430 3.729 30 20 CHED N#Cc1ccc(NCC2(C#N)CCC2)cc1C(F)(F)F 419022908 OEHDZQCIBMUBHK-UHFFFAOYSA-N 279.265 3.683 30 20 CHED Cc1nn(C)cc1CS[C@@H](C)c1cccc(C#N)c1 419459165 COVRIPMDUCUDAX-LBPRGKRZSA-N 271.389 3.595 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(C(C)C)[C@H](C)c1ccsc1 421688621 IIJBIHQPAPCEPE-YUELXQCFSA-N 293.432 3.637 30 20 CHED COC1([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)CCCC1 421860086 SUSFWSLMUIYWOK-KBXCAEBGSA-N 298.430 3.873 30 20 CHED CC(C)(C#N)c1ccccc1CN1CC[C@H]2CCC[C@@H]21 426455500 SUVDGIKJZHBWTB-PBHICJAKSA-N 268.404 3.862 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)COc1c(C)cccc1C 429821594 RENVOHWFNKHYJW-HNNXBMFYSA-N 289.419 3.789 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 430372278 RHNWEDSOFIPTKO-IINYFYTJSA-N 262.740 3.586 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)NCC2(CC#N)CC2)CC1 430919781 RXBNAMLQHYBRIE-LSDHHAIUSA-N 291.439 3.584 30 20 CHED Cc1c(F)cccc1NC(=O)[C@@H](C#N)CCc1ccccc1 433376465 JSVGCDCOGOBMHN-OAHLLOKOSA-N 296.345 3.845 30 20 CHED C[C@H](C#N)CN(C)CCc1cccc(Cl)c1Cl 434539427 GVLVVKSQNADUJZ-SNVBAGLBSA-N 271.191 3.627 30 20 CHED N#Cc1ccccc1/C=C\c1ncc(Br)s1 434633937 NLGZEUMIWPKULQ-WAYWQWQTSA-N 291.173 3.948 30 20 CHED C=C(C)CNC(=O)Nc1cc2sc(C)nc2cc1Cl 435177152 LNLFGXNKHDJKSY-UHFFFAOYSA-N 295.795 3.956 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)s1 438479144 YLOBNIRRQDIQCO-LLVKDONJSA-N 276.327 3.686 30 20 CHED CCC(C)(C)CCN1CCCN(c2ccccc2C#N)CC1 441169406 BSDYZQGVARXJIJ-UHFFFAOYSA-N 299.462 3.897 30 20 CHED Cc1cc(CNCCC2=CCCCC2)ccc1C#N 443975807 BSRPVUXTKHKGPN-UHFFFAOYSA-N 254.377 3.847 30 20 CHED N#CCN(Cc1ccc(-c2ccsc2)cc1)C1CC1 444621196 RJUVWVHHOFIHHV-UHFFFAOYSA-N 268.385 3.903 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H]1CC 448819008 RRVXYAQFANSIQB-QZTJIDSGSA-N 296.414 3.899 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 448860842 QQCINKNIOXBNDA-YPMHNXCESA-N 297.320 3.890 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccncc1F 449014596 QIZKWZWYJQVLJB-UHFFFAOYSA-N 283.350 3.505 30 20 CHED CC1(C#N)CCC(NCCCOC2CCCCC2)CC1 449068913 VHARABVAOLQPQI-UHFFFAOYSA-N 278.440 3.788 30 20 CHED C=CCCCC[C@@H](C)NCC1(SC)CCN(C)CC1 449332669 DQWLXGJZAIWORK-OAHLLOKOSA-N 284.513 3.538 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCOc2ccc(F)c(Cl)c2)C1 449399575 BTXZOCVPOKBYPL-VXGBXAGGSA-N 296.773 3.530 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1C(F)(F)F 449520472 PQMTWRSCQZWUOP-HONMWMINSA-N 285.309 3.700 30 20 CHED C[C@@H](CCO)C1(CNc2cccc(Cl)c2C#N)CCC1 450428007 URODRPYRVCAGNX-LBPRGKRZSA-N 292.810 3.812 30 20 CHED CCc1nc(C)c([C@@H](C)N(C)CC2(C#N)CCC2)s1 450434409 MSVWYANJMFVOCJ-GFCCVEGCSA-N 277.437 3.701 30 20 CHED CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccncc1 453176250 QITVWNFZXUSTML-KRWDZBQOSA-N 277.371 3.683 30 20 CHED C=C(CC)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 453349004 HBSBDRJJWOLPLV-OAHLLOKOSA-N 260.337 3.528 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnc2ccsc2c1 453376230 XSPVKDUBFZAXJM-KYOSRNDESA-N 288.416 3.681 30 20 CHED C=CCC1(NC(=O)c2oc(C)cc2C)CCCCC1 456362236 HEEUYXLHPRNACC-UHFFFAOYSA-N 261.365 3.905 30 20 CHED C=C(C)Cn1c(N2CCCC[C@H](C)C2)nnc1C(C)(C)C 460378008 VRPCWBQQULAFGY-AWEZNQCLSA-N 290.455 3.778 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@@H](C)CC 460768130 DNSXYVJXMLPHBI-OLZOCXBDSA-N 264.417 3.602 30 20 CHED CC(C)CN(C)c1c(C#N)cnc2ccc(Cl)cc12 462383808 JBBAHHXEVRKOSN-UHFFFAOYSA-N 273.767 3.852 30 20 CHED CC#CCSc1nnc(-c2ccc(C(C)C)cc2)o1 463256154 JSMFRVAFHBTMQL-UHFFFAOYSA-N 272.373 3.975 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(CCC(F)(F)F)c1 465235737 FVWVOGHOZZKDOJ-SNVBAGLBSA-N 286.297 3.878 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 466237441 ANEOTQAAFOOKQQ-KBPBESRZSA-N 287.378 3.854 30 20 CHED C=C[C@@](C)(CC)C(=O)N(CC)Cc1cccc(F)c1 466364112 LYIZRYFXUCHZID-INIZCTEOSA-N 263.356 3.777 30 20 CHED C=CCC[C@H](CCC)N[C@H](CO)Cc1cccc(C)c1 467354809 GXWCLQREFWCRIK-ROUUACIJSA-N 275.436 3.623 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)c(C(=O)OC)s1 468545635 YWRNPRFBBIQLKN-UHFFFAOYSA-N 293.388 3.550 30 20 CHED C=CCCCCNC(=O)c1cnn(-c2ccccc2)c1CC 471693179 NZIMELNONTZQFY-UHFFFAOYSA-N 297.402 3.521 30 20 CHED C=CCCCCNC(=O)N(C)CC1CCCCC1 472872361 RPGMGNXJBPBWQD-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CCCCCNC(=O)Nc1cccc(OCCC)c1 473595677 ZPGIWDVBKKQFHV-UHFFFAOYSA-N 276.380 3.953 30 20 CHED C=CCCC1(C(=O)NCC2(OCCC)CCCCC2)CC1 476226217 FWRLAQHEKDVUIT-UHFFFAOYSA-N 293.451 3.979 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccnn1[C@H](C)CC(C)C 481459384 YKUIEUYKARKYLS-CQSZACIVSA-N 292.427 3.920 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1 483642680 WFTZEQNLWHGVNL-GDBMZVCRSA-N 270.376 3.737 30 20 CHED CC(C)(C#N)CC(=O)NCCc1cccc(Cl)c1Cl 483749458 WZGRPSNIRHTKIL-UHFFFAOYSA-N 299.201 3.592 30 20 CHED COc1cc(C#N)cc(OCCCSCC(C)C)c1 486062436 GDOMFOUFVNYDKH-UHFFFAOYSA-N 279.405 3.725 30 20 CHED C=C(C)CN(C)C(=O)NCCCc1ccc(C(C)C)cc1 487097587 DIWPPLYHOALAMM-UHFFFAOYSA-N 288.435 3.960 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)NCC#Cc1ccccc1 487688953 MPIYDVJMNRFTNN-GOSISDBHSA-N 298.430 3.648 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCCC1CCCC1 494416887 KZODTHNULGNPQV-OAHLLOKOSA-N 264.413 3.707 30 20 CHED Cc1cccc2cc(C(=O)N(CC#N)c3ccccc3)oc12 495549262 VBXFTUFOJNEPJO-UHFFFAOYSA-N 290.322 3.912 30 20 CHED C[C@@H](C#N)C(=O)NCC1(C2CCCCC2)CCCCC1 498876888 YBAWOCWPTWDMQF-AWEZNQCLSA-N 276.424 3.793 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCCC2 499471484 SQWIKMSZMXSQOE-LJQANCHMSA-N 298.430 3.552 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2ccccc2)nc1 507502887 DWIDGPJBFXTFTE-QGZVFWFLSA-N 295.342 3.752 30 20 CHED CCC1(CNC(=O)c2cccc(C#N)c2C)CCCC1 510358667 OXBYMOWJFNUZCK-UHFFFAOYSA-N 270.376 3.567 30 20 CHED C[C@H](COCC(F)(F)F)Nc1ccc(Cl)cc1C#N 511426389 FQDINOBCVUKUAF-MRVPVSSYSA-N 292.688 3.591 30 20 CHED CSc1ccccc1COc1ccccc1C#N 511862025 XHCQRNDLXMMPDX-UHFFFAOYSA-N 255.342 3.859 30 20 CHED C=C(CNC(=O)N(C)Cc1ccccc1C)c1ccccc1 512659060 CMQCCGYZWLLEMP-UHFFFAOYSA-N 294.398 3.850 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2scnc2c1 514953824 WIAHUUKXOUUXIT-UHFFFAOYSA-N 260.362 3.837 30 20 CHED Cc1cc(C)c(C#N)c(NCCOc2c(C)cccc2C)n1 515550169 DKTLJWWSZQSUIN-UHFFFAOYSA-N 295.386 3.678 30 20 CHED C=CCCN(CCCO)Cc1ccc(Cl)c(Cl)c1 525328460 ZKTFBDWAMRPORN-UHFFFAOYSA-N 288.218 3.754 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2c(F)cccc21 526042860 KRHIFAHTCBXOKZ-MRXNPFEDSA-N 261.340 3.707 30 20 CHED N#CCC1CCN(CCCCCOc2ccccc2)CC1 527105222 DOACXMQMBMQFCY-UHFFFAOYSA-N 286.419 3.861 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(Cl)cn1 527470175 QMLUBGKPDPSVEU-IINYFYTJSA-N 266.772 3.515 30 20 CHED CCC(C#N)(CC)c1nc(Cc2ccc(C)cc2)no1 528092743 NZTQTJJDNNECLI-UHFFFAOYSA-N 269.348 3.550 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(OC)c(C)c2)no1 528123283 VROINEKINZAXQT-UHFFFAOYSA-N 285.347 3.635 30 20 CHED CCc1cnc(CNc2cccc(OCCCC#N)c2)o1 532114549 AIUQWKBGIIPYLL-UHFFFAOYSA-N 285.347 3.532 30 20 CHED Cc1cc(C)c([C@H](C)N2CCC(C#N)CC2)c(C)c1 532938987 KGCPTNNBEAWNBM-HNNXBMFYSA-N 256.393 3.908 30 20 CHED CC(C)(NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 535747445 ITESSWFUFXVRAK-UHFFFAOYSA-N 277.755 3.522 30 20 CHED C=C(C)[C@H](CC(=O)N(CCC)Cc1ccccc1)OCC 535910071 GCDVIQPFONHPAD-KRWDZBQOSA-N 289.419 3.797 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1Nc1ccc(F)cc1 539699010 VLAKOLXYIHPXET-NSHDSACASA-N 283.306 3.667 30 20 CHED C=CCCOCCCCC(=O)N1CCCC[C@@H]1CCC 542589213 BPZRFVQNISJWFF-INIZCTEOSA-N 281.440 3.931 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)c2F)CC1(C)C 546833371 QBARSUGNIOVXDH-GFCCVEGCSA-N 260.356 3.565 30 20 CHED C=CCCc1nc(-c2ccc(C)cc2Br)no1 547102848 JAAVMWGBJGJORH-UHFFFAOYSA-N 293.164 3.926 30 20 CHED C=CCCCNC(=O)c1c(C)ccc(Br)c1C 560464442 STOMYUKBYZAGLD-UHFFFAOYSA-N 296.208 3.762 30 20 CHED CCCC[C@@H](CCC)CNC(=O)[C@@](C)(C#N)CC 560576237 KCDCTFFWJXIWGO-UKRRQHHQSA-N 252.402 3.649 30 20 CHED CC1(C)CC[C@@H](CNC[C@H](C#N)CCC#N)c2ccccc21 560597560 IHUUNSMGOSPIHK-HOTGVXAUSA-N 295.430 3.875 30 20 CHED CC(C)CC1(C(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CC1 561790883 CPVVRMRFXBJNKO-SJORKVTESA-N 296.414 3.578 30 20 CHED N#CCCN[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 565652701 AAOQXOJTFWLLOH-UKRRQHHQSA-N 262.784 3.869 30 20 CHED C=CCCCCSCC(=O)Nc1ccc(F)cc1F 568372598 ZNAIOJKRXYNCLD-UHFFFAOYSA-N 285.359 3.993 30 20 CHED N#CCC1(CNC(=O)c2cscc2-c2ccccc2)CC1 571012264 GZZUIMOFVGKYND-UHFFFAOYSA-N 296.395 3.839 30 20 CHED N#Cc1ncccc1SCCCCC(F)(F)F 573862854 UWDOMHAVGVTPDX-UHFFFAOYSA-N 260.284 3.778 30 20 CHED C[C@@H](C#N)CNC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 577813045 FYWMPXCLVLRJSG-XJKSGUPXSA-N 299.418 3.549 30 20 CHED C=CCn1c(N(C)c2cccc(C)c2)nnc1C(C)(C)C 578560186 DETXUCRSXUYGSX-UHFFFAOYSA-N 284.407 3.838 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CCC#N)CC1 579586633 CHZKRVBKYCMOHW-CVEARBPZSA-N 291.439 3.681 30 20 CHED C=CCCCCCN1CC(C)(C)[C@H]1[C@H]1CCCO1 581635974 BWWVQIFLEASWSZ-HUUCEWRRSA-N 251.414 3.622 30 20 CHED C[C@](C#N)(NC(=O)c1ccc(F)c(F)c1)C1CCCCC1 582744777 DAHPJIMKTMSETF-MRXNPFEDSA-N 292.329 3.557 30 20 CHED C=CC[C@@H]1N(c2nnc(CC)n2CC=C)CCCC1(C)C 583533990 SAIPYNNOTMAEIY-AWEZNQCLSA-N 288.439 3.598 30 20 CHED CCC(CC)[C@@H]1C[C@H](Nc2cc(C#N)cc(C)n2)CCO1 588013215 BSKUXMQYZFDNMN-CVEARBPZSA-N 287.407 3.657 30 20 CHED Cc1cccc(C(C)(C)CNC(=O)CCCCCC#N)c1 588327731 UOENSRJBCHLBJF-UHFFFAOYSA-N 286.419 3.863 30 20 CHED Cc1ccc(F)c2c1N(C(=O)CCCCCC#N)CCC2 588925378 OYKGGIBOWSEOGI-UHFFFAOYSA-N 288.366 3.887 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)CCCC1CC1 589755707 SVRKHIHMNNLVHA-UHFFFAOYSA-N 286.375 3.864 30 20 CHED CCCCN(C(=O)c1cccc(C#N)n1)[C@@H]1CCC[C@H](C)C1 590518078 QLCHLZFHZSXGJJ-GOEBONIOSA-N 299.418 3.774 30 20 CHED CC(C)(C#N)CC[S@](=O)c1ccc(Cl)c(F)c1 593010018 WSWIJQZYZUHOSJ-KRWDZBQOSA-N 273.760 3.527 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 593455896 YGPWJRSTJJWDEJ-GUYCJALGSA-N 295.386 3.771 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCCC[C@H]1c1ccc(C)o1 593482417 YTSNIXPEURBNEE-KBPBESRZSA-N 274.364 3.582 30 20 CHED CC[C@@H](C#N)C(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 593606426 FOLGMLGARBKPOM-IRXDYDNUSA-N 298.430 3.751 30 20 CHED CC1(C)C[C@]1(NCc1ccc(C#N)cc1)c1ccccc1 595911563 YORXPSRWHOMKKT-IBGZPJMESA-N 276.383 3.973 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@@H]2c2ccc(C)cc2)n1 596071244 MZTCGVIGZJTWPE-MRXNPFEDSA-N 292.386 3.561 30 20 CHED CN(C(=O)c1c[nH]c(C#N)c1)C1CC(C)(C)CC(C)(C)C1 596462644 NCGLNAIOCCKMBA-UHFFFAOYSA-N 287.407 3.563 30 20 CHED CCO[C@@H](CC)c1noc(-c2ccc(C#N)c(Cl)c2)n1 596622410 ZWNCHNPZHPTHHF-LBPRGKRZSA-N 291.738 3.749 30 20 CHED CN(C(=O)c1cnccc1C#N)C1CC(C)(C)CC(C)(C)C1 598095666 FLZISYQGDDYYAW-UHFFFAOYSA-N 299.418 3.630 30 20 CHED CC(C)(C#N)C[C@H](O)CNc1ccc(C(C)(C)C)cc1 598726023 MOVVZLWMSLDTMR-HNNXBMFYSA-N 274.408 3.697 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1cc(F)ccc1F 598811071 QFQCHTCGOKEGDB-UHFFFAOYSA-N 292.329 3.792 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(C)cc(C)c1C#N 598857780 IXEIWVMFWPOGQF-KGLIPLIRSA-N 285.391 3.725 30 20 CHED C[C@H](CCC#N)CN(C)Cc1ccccc1Cl 602436180 YAWHZPPZFGAYCO-GFCCVEGCSA-N 250.773 3.712 30 20 CHED CCN(Cc1ccc(Cl)s1)CC1(CC#N)CC1 602758376 ZRANSQLOHAEGBT-UHFFFAOYSA-N 268.813 3.917 30 20 CHED Cc1sccc1NC(=O)NCC1CCC(C#N)CC1 603082166 LEMIJVULBNPPAM-UHFFFAOYSA-N 277.393 3.508 30 20 CHED CCCC[C@H](CC)CC(=O)N[C@H](C#N)CC(C)C 609762145 CSMLFFFTHQNEMS-KBPBESRZSA-N 252.402 3.647 30 20 CHED CCCCOc1ccccc1NC(=O)NCC(C)(C)C#N 611620471 DLTFPBCPYNNBPW-UHFFFAOYSA-N 289.379 3.537 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc3ccccc3o2)C1 612164605 HDIMSDZDZHXKHY-MRXNPFEDSA-N 254.333 3.558 30 20 CHED C[C@@H](NC(=O)C1=CCCCCC1)c1cccc(C#N)c1 613959072 DHSFADOLSUKSHQ-CYBMUJFWSA-N 268.360 3.626 30 20 CHED N#C[C@]1(F)CCN(Cc2ccc(Oc3ccccc3)o2)C1 615650932 OBBHMCJYZDPARH-MRXNPFEDSA-N 286.306 3.509 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2sc(CCC)nc2C)C1 617787441 OVHUVRRZKKZBPF-ZDUSSCGKSA-N 292.448 3.832 30 20 CHED C=CCSc1ccccc1C(=O)NCCC(C)(C)F 618410426 FYXHGVJPUDSEJX-UHFFFAOYSA-N 281.396 3.833 30 20 CHED CC(C)n1cc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cn1 618806250 PBGQWOKSNUJWAS-SCLBCKFNSA-N 294.402 3.674 30 20 CHED C=CCC1(NC(=O)Cc2cn(C)c3ccccc23)CCCC1 619103984 HLVMVZZIZKBIGS-UHFFFAOYSA-N 296.414 3.726 30 20 CHED C=CCN(C(=O)c1cccc2ccc(C)nc12)C(C)(C)C 622944009 AKFMLKHMNPDGOB-UHFFFAOYSA-N 282.387 3.970 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1csc(C(F)(F)F)c1 623539943 DPZGQCJTOUBHLX-MNOVXSKESA-N 291.338 3.590 30 20 CHED C=CCC[C@H](NC(=O)[C@H](OCC)C1CC1)c1ccccc1 626216523 WBQNDWALWPSMJZ-DLBZAZTESA-N 287.403 3.625 30 20 CHED C=CC(C)(C)C(=O)NCC1(c2ccccc2F)CCC1 650171812 VCJGZXIWORYCKB-UHFFFAOYSA-N 275.367 3.576 30 20 CHED C=CCCn1cc(CN(C)[C@@H](C)c2ccc(C)cc2C)nn1 653504497 XPMVDDOJNDHHKW-INIZCTEOSA-N 298.434 3.664 30 20 CHED C=CCCNC(=O)Nc1ccc(OC2CCCC2)c(F)c1 666198769 OGXYHALOIVVIAM-UHFFFAOYSA-N 292.354 3.845 30 20 CHED CCN(CC#Cc1cccc(Cl)c1)Cc1ccoc1 676557795 WRLHLJUEYAWFLP-UHFFFAOYSA-N 273.763 3.807 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCc3c(Cl)cccc32)CC1 678839092 QZQROOXYAFXGPW-OAHLLOKOSA-N 289.806 3.794 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1[nH]c(-c2ccccc2)nc1C 678894368 BZEBXAKXUQAMGE-CYBMUJFWSA-N 297.402 3.860 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 679526874 XROGIRYXLMXQKV-WCQYABFASA-N 289.341 3.944 30 20 CHED CC#CCCNC(=O)[C@@H](C)c1c(Cl)cccc1Cl 680457113 KYRCXLQYVUUAON-JTQLQIEISA-N 284.186 3.627 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(-c2ccc(OC)cc2)no1 683792996 LMEJNUHZNWSXAS-OAHLLOKOSA-N 298.386 3.891 30 20 CHED CC(Cc1cccs1)=NN=c1cc[nH]c2ccccc12 730147161 LIHYCNPBSNBDBC-UHFFFAOYSA-N 281.384 3.749 30 20 CHED CC(CCC(C)C)=NN=c1cc[nH]c2ccccc12 730148000 XRSWWMVWNOMZTP-UHFFFAOYSA-N 255.365 3.881 30 20 CHED Cc1ccc2c(c1)C(=NNC(=S)Nc1ccccc1)CC2 730946518 ZXKUZQIEXPXXFS-UHFFFAOYSA-N 295.411 3.632 30 20 CHED C=CCN1C(=O)/C(=C/c2ccc(CC)s2)SC1=S 731155220 CQGDMCMYOGGWOZ-FLIBITNWSA-N 295.454 3.698 30 20 CHED CCCCCCCCC(=O)N(C)Cc1cnn(CC)c1 733785696 OXLXYGRYCXSPOU-UHFFFAOYSA-N 279.428 3.612 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)c1C 734305234 NIAGHXMSDURRIA-VURMDHGXSA-N 294.350 3.971 30 20 CHED Oc1cccc(/C=N\CCc2cc3ccccc3o2)c1O 739425635 GUBXPCYSBSCGHA-WQRHYEAKSA-N 281.311 3.506 30 20 CHED COc1cccc(F)c1C(C)=NNc1ncccc1Cl 741806243 IFYCDQYNMXJEBV-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C#CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC)cc1 742801837 JBBGWLVJKZEDLQ-CRAIPNDOSA-N 299.414 3.739 30 20 CHED CCOc1ccc(O)c(/C=N\CC(C2CC2)C2CC2)c1 743044142 FVWVNHQLBWODHW-ZDLGFXPLSA-N 273.376 3.646 30 20 CHED CCCCCC[C@@H](C)NN=C1CCCC[C@H]1OC 743450990 WEYXXFNWSAIYQV-UKRRQHHQSA-N 254.418 3.880 30 20 CHED C[C@H]1CCC[C@H](C(=O)OCc2cn3ccccc3c2C#N)C1 745160707 UPOZMNNFQPODOF-KBPBESRZSA-N 296.370 3.680 30 20 CHED CCC(CC)(CC)C(=O)OCC(=O)c1ccc(C#N)cc1 748305540 BNAXBSWSFMAFNH-UHFFFAOYSA-N 287.359 3.501 30 20 CHED C#CCN(CC)C(=O)Nc1cc(Cl)ccc1OCCC 749227954 MJPKNIZERDPCCE-UHFFFAOYSA-N 294.782 3.616 30 20 CHED Oc1cccc(/C=N\CCCc2ccc(Cl)cc2)c1O 749453059 QYJOXCIPMUUQBC-WQRHYEAKSA-N 289.762 3.803 30 20 CHED C=CCN(C(=O)CCCc1ccc(C)s1)C(C)C 750819416 OVAYXIDLFBHCPI-UHFFFAOYSA-N 265.422 3.802 30 20 CHED O=C(O)c1ccccc1NN=C[C@H]1C[C@@H]1c1ccccc1 755601470 OMDBJJGUQPOWPG-UKRRQHHQSA-N 280.327 3.586 30 20 CHED CCOc1ccc(CON=Cc2ccc(CC)cc2)nc1 755941973 YXPBNEOHIIVZGK-UHFFFAOYSA-N 284.359 3.593 30 20 CHED COc1cccc(/C=C2\Oc3cc(F)cc(F)c3C2=O)c1 758028259 CUILPVBREGADNX-NSIKDUERSA-N 288.249 3.590 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC=C(c2ccccc2)C1 758660522 GWSTXJADDDXHQR-OAHLLOKOSA-N 284.403 3.840 30 20 CHED Cc1cc(C=NNc2ccc(C#N)cc2)c(C)s1 760241299 CEOUXEJDLXIUFF-UHFFFAOYSA-N 255.346 3.683 30 20 CHED Cc1cc(C(=O)OC2(C#N)CCC2)cc(C)c1OC(F)F 762099199 AZXUHIUHJQZOFF-UHFFFAOYSA-N 295.285 3.508 30 20 CHED C=C(Cl)C[S@@](=O)Cc1nc(-c2ccccc2)cs1 766875377 GJSGXEPFXWJOHA-GOSISDBHSA-N 297.832 3.811 30 20 CHED C#CCC(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1 767046903 YYWBWRGWUKHFSX-UHFFFAOYSA-N 271.143 3.948 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1cccc2ccsc12 768012920 MIKCLTAORSFKOZ-LBPRGKRZSA-N 273.357 3.996 30 20 CHED CN1C(=O)CN(N=C2CCCCCCCCCCC2)C1=O 768381531 CPDNIVCPRIOJPQ-UHFFFAOYSA-N 293.411 3.541 30 20 CHED C=CCOC(=O)c1cc(Cl)cc(Br)c1F 769513200 ATQJJQPDPRCBLH-UHFFFAOYSA-N 293.519 3.584 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccc(Br)c(F)c1 769827761 JLVHAINKJFLCJX-HTQZYQBOSA-N 271.133 3.642 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1csc(C(C)C)n1 771744846 OBDFJNUATDQUOP-AATRIKPKSA-N 276.361 3.767 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccccc1C 773078806 NVWIIILUSFTLTF-UHFFFAOYSA-N 268.364 3.745 30 20 CHED Cc1ccsc1/C=C1\CC(=O)Nc2ccccc2C1=O 774143055 AWFQUNNQROMYNJ-DHZHZOJOSA-N 283.352 3.665 30 20 CHED CCOCCON=C1C[C@H](C)C[C@@H](c2ccccc2)C1 774430636 CAGXEYCQKKYXJN-GDBMZVCRSA-N 275.392 3.999 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1ccc(C)cc1 775408531 DEXBZKVLAGFIJQ-UHFFFAOYSA-N 280.327 3.651 30 20 CHED CC(C)(C#N)CCOC(=O)CC1(C)CCCCC1 776399154 SYVQBESZJPBNQV-UHFFFAOYSA-N 251.370 3.830 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2Cc1ccc(C#N)s1 776522461 CHABESORCWAFTA-GFCCVEGCSA-N 284.384 3.716 30 20 CHED CCOc1ccc(/C=N/[C@@H]2CC(C)(C)OC2(C)C)c(O)c1 777873858 VIIILYORQFXRQS-CLXYIWAZSA-N 291.391 3.556 30 20 CHED COC[C@@H](C)C(C)=NNc1ccnc2cc(Cl)ccc12 777879912 XISOOOHMKYNUSM-SNVBAGLBSA-N 291.782 3.959 30 20 CHED CC(/C=C/C(=O)c1cnn(C)c1C)=C\c1ccccc1 778517421 MHTZZYUWBXZTQP-SNMPHBPQSA-N 266.344 3.571 30 20 CHED C=CCC[C@H](C(=O)OCc1cc(C)on1)c1ccccc1 778558546 CNMXLSZDTIRYNU-INIZCTEOSA-N 285.343 3.776 30 20 CHED C=CCC[C@H](C(=O)OCCCC(C)=O)c1ccccc1 778559759 UYLYGUCKRGZHCC-INIZCTEOSA-N 274.360 3.649 30 20 CHED CCC(Cc1ccccc1)=NN[C@H]1CCOC(C)(C)C1 780252004 XOMVOJOJAHXUOE-INIZCTEOSA-N 274.408 3.542 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1ccnc(F)c1 781128394 VPUFEZZTOOSUTF-LLVKDONJSA-N 269.323 3.853 30 20 CHED Cc1c(C(=O)OCCCCC#N)cnn1C1CCCCC1 781304674 BYUQMIVZHDOVMH-UHFFFAOYSA-N 289.379 3.547 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cccnc2)cc1F 782302590 QUQQCOSXRQVHIX-FNORWQNLSA-N 271.291 3.516 30 20 CHED Cc1nc2sccn2c1C=NOCCC1CCCC1 783557078 OKKWWDALVHZUIT-UHFFFAOYSA-N 277.393 3.635 30 20 CHED O=C1/C(=C/c2cccc(F)c2)COc2c(F)ccc(F)c21 783711438 BHXQHDHUPAWPDH-UXBLZVDNSA-N 290.240 3.763 30 20 CHED N#CCCCCOC(=O)C1(Cc2ccccc2Cl)CC1 784277728 UTNIWKNYRMUMAB-UHFFFAOYSA-N 291.778 3.900 30 20 CHED C=CCCCCCN[C@@H](CCO)c1cccs1 785790565 DPSIEWQPHZPVDF-ZDUSSCGKSA-N 253.411 3.508 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(N2CCCCC2)c1 786098771 DXDQMEVKSALQKD-UHFFFAOYSA-N 287.407 3.717 30 20 CHED C#CCC1(C(=O)Nc2cc(F)ccc2OC)CCCCC1 788460648 GLEYHTFZFMEHMR-UHFFFAOYSA-N 289.350 3.747 30 20 CHED Cc1cccn2cc(CNc3ccc(Cl)c(C#N)c3)nc12 788498277 MUMGKCLNBKNSPH-UHFFFAOYSA-N 296.761 3.780 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1cc(C)nn1C 789023447 MIXSPUWFIBMZDM-UHFFFAOYSA-N 297.189 3.871 30 20 CHED COc1ncc(C(=O)/C=C/c2ccccc2)cc1Cl 789158295 VFRHGJVFGIBLDK-BQYQJAHWSA-N 273.719 3.640 30 20 CHED Fc1ccc(C=NNCc2cccc(Cl)c2Cl)cn1 790182061 WFGLOAAIOIBCFY-UHFFFAOYSA-N 298.148 3.651 30 20 CHED C#CCCCNCc1cnc(-c2ccc(Cl)cc2)s1 790545685 BIYQEAUNUDFVDB-UHFFFAOYSA-N 290.819 3.967 30 20 CHED C[C@H]1CC[C@H](OC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 790975803 SSGDWGVGKBXNDC-FZMZJTMJSA-N 296.326 3.559 30 20 CHED CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccn1 792270773 GLXAILOTXMDLCB-QGZVFWFLSA-N 283.350 3.579 30 20 CHED Cc1ccc2cc(C=NN[C@@H](C)C(C)(C)C)ccc2n1 793116589 ZKYVLMUQHQSVQV-ZDUSSCGKSA-N 269.392 3.901 30 20 CHED C[C@@H]1CCC(=NNCCC(F)(F)F)c2ccccc21 794545646 NJPLZCMAXHTGAV-SNVBAGLBSA-N 270.298 3.830 30 20 CHED FC(F)(F)CCNN=Cc1ccc(Cl)cc1Cl 794553775 ZCKWILWBGLSNDD-UHFFFAOYSA-N 285.096 3.869 30 20 CHED Clc1ccc(NN=C[C@H]2CCCSC2)cc1 794856270 IGFRACBPFBNYHQ-SNVBAGLBSA-N 254.786 3.881 30 20 CHED Clc1cccnc1NN=Cc1ccc2occc2c1 794897647 UTBRTGKOMQAVAB-UHFFFAOYSA-N 271.707 3.927 30 20 CHED C=C(C)CNC(=S)N1CC[C@@H](c2ccc(C)cc2C)C1 795003667 SHTMSVYRLREGOH-OAHLLOKOSA-N 288.460 3.543 30 20 CHED C#CCCCN(Cc1ccccc1)C[C@H](O)c1ccccc1 796356204 JBRLQTIREKUNOO-FQEVSTJZSA-N 293.410 3.636 30 20 CHED CC(C)O[C@@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 796409547 MXLPVTSZSMJAMT-OAHLLOKOSA-N 289.375 3.636 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1cc2ccccc2o1 796462249 IEGHBKCDAPQVDK-UHFFFAOYSA-N 286.327 3.761 30 20 CHED C#CCCCCNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798468473 HDCJMNOWSNCWCN-GFCCVEGCSA-N 297.320 3.729 30 20 CHED COc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1C#N 799497286 MVSPVTJVBOMHIO-MKMNVTDBSA-N 293.297 3.528 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)c2ccc(C)c(C#N)c2)c1C 799729390 LISAIXOVKPPOHQ-GFCCVEGCSA-N 296.374 3.595 30 20 CHED CCC(CC)[C@H](NCCO[C@@H](C)C#N)c1ccccc1 801937152 FPFVKCFNJGORJU-YOEHRIQHSA-N 274.408 3.682 30 20 CHED CC(C)CCC(=NN[C@H](CO)c1ccccc1)C1CC1 802711738 APVATZZZAICCMU-QGZVFWFLSA-N 274.408 3.512 30 20 CHED C#CC[C@H](NC(=O)CC[C@H](C)CC)c1ccccc1 802887058 WKCSYJRQGOHHOU-ZBFHGGJFSA-N 257.377 3.694 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)OCCCSCC#N 805532612 SIPLWPGNVPHXNN-LBPRGKRZSA-N 271.426 3.639 30 20 CHED C=CCCCOC(=O)c1cc(Cl)c(Cl)nc1C 805721573 IHMWJJIBFNMPFY-UHFFFAOYSA-N 274.147 3.820 30 20 CHED Cc1cc([C@@H](C#N)C(=O)CCCCC(C)(C)C)nc(C)n1 805853896 RIEIFDBNCPAUSH-CQSZACIVSA-N 287.407 3.876 30 20 CHED COc1ccccc1CON=Cc1ccc2[nH]ccc2c1 811647907 FYFQZDDTKTXPKC-UHFFFAOYSA-N 280.327 3.727 30 20 CHED CCCCc1nc(C=NOC/C=C\Cl)c(Cl)[nH]1 811668758 JPFFQRTWBFMGNC-QHGAVBMVSA-N 276.167 3.509 30 20 CHED Fc1ccc2nc(C=NOC/C=C\Cl)sc2c1 811672331 WMXMUPQZRAGIPI-YHHAPTPFSA-N 270.716 3.538 30 20 CHED C#C[C@@H](C)N(C)C(=O)NCC1CCC(c2ccccc2)CC1 812035637 KRFBARGOSJMOQJ-KLHKWILBSA-N 298.430 3.624 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C 812198375 YDWYKERKGCZUFV-ZVZYQTTQSA-N 298.430 3.609 30 20 CHED CCCC(=NOCCOC(C)C)c1ccsc1 812239842 BLRROCKFQOTPDY-UHFFFAOYSA-N 255.383 3.694 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccsc1 812241597 KJXBIPGIQTUQGW-DUXPYHPUSA-N 262.305 3.792 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]1CCC)c1ccc(Cl)cc1F 812573749 RMOLWNAKZIHEJC-YVLXSGLVSA-N 293.769 3.706 30 20 CHED C#C[C@@H](NC(=O)CCCC1CC1)c1ccc(Cl)cc1F 812573975 ZILPYNMPVCGTSI-OAHLLOKOSA-N 293.769 3.850 30 20 CHED Cc1nnsc1C=NN[C@H](C)c1ccc(C(C)C)cc1 814219112 VIYOZDXZGBBNFU-LLVKDONJSA-N 288.420 3.655 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1ccc(C(=O)O)cc1 814680944 PPAQSCQHJXUJGQ-UHFFFAOYSA-N 286.306 3.554 30 20 CHED CC(=NNc1cncc(Cl)n1)c1cccc(C2CC2)c1 814797379 HOMSMSQXGGOISC-UHFFFAOYSA-N 286.766 3.844 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1ccc(C)cn1 814831956 YVBJXPZEHAKJNF-UHFFFAOYSA-N 257.312 3.560 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(Cl)ccc1F 814840179 IRJPWQWUULBEQB-UHFFFAOYSA-N 263.646 3.629 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1c[nH]nc1C 814860917 MJEBYCCJRMOSTJ-UHFFFAOYSA-N 283.162 3.861 30 20 CHED Cc1ccnc(NN=C2CS[C@H](C(C)(C)C)C2)c1 814867528 IVJKSMNEQBIDSR-LBPRGKRZSA-N 263.410 3.710 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NOCCC(F)(F)F 814910431 VELDIBSJMMUBCB-VIFPVBQESA-N 262.275 3.661 30 20 CHED C(=NNC[C@H]1CCSC1)c1ccc(C2CCC2)cc1 814935531 NJSIRLSVPHPQND-CQSZACIVSA-N 274.433 3.631 30 20 CHED CC[C@@H](CC#N)OC(=O)Cc1c[nH]c2cccc(Cl)c12 816038583 BIPPWMAHADHADC-NSHDSACASA-N 290.750 3.599 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1 819631657 PNBVNGIZQYIHEF-KBXCAEBGSA-N 290.366 3.776 30 20 CHED C[C@H](NN=C1CS[C@H](C(C)(C)C)C1)c1ccncc1 819817719 DYOHUXCXPWTBHR-FZMZJTMJSA-N 277.437 3.640 30 20 CHED C=CCC[C@@H](NC(=O)NOCC1CCC1)c1ccccc1 824074497 QLHPLIFRJOXWQR-MRXNPFEDSA-N 288.391 3.725 30 20 CHED CCc1oc(C(=O)O)cc1CSc1cccc(C#N)c1 830395259 WVNCEAURAKKTQM-UHFFFAOYSA-N 287.340 3.704 30 20 CHED CC1(C#N)CCC(=NNCc2ccc(Cl)cc2)CC1 834960991 DROPEMPLZPHKMR-UHFFFAOYSA-N 275.783 3.889 30 20 CHED COC[C@@H](C)NN=Cc1ccccc1-c1ccccc1C 834970164 HPAKLVYCVFHDHX-OAHLLOKOSA-N 282.387 3.620 30 20 CHED Fc1cncnc1NN=C1CCCC12CCCCC2 834981800 ASTYWQXRAMFKES-UHFFFAOYSA-N 262.332 3.518 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1NN=C[C@H]1CCCSC1 835008898 KTROWYYPYVCFSR-SECBINFHSA-N 299.783 3.789 30 20 CHED CC(C)c1ccc(NN=C2CCCc3nc(N)ccc32)cc1 835018824 VOWFDHUWFKZUBP-UHFFFAOYSA-N 294.402 3.940 30 20 CHED C#CCN(C(=O)Nc1cc(Cl)c(C)cc1Cl)C1CC1 836475964 DXRBXMKGNRSUMN-UHFFFAOYSA-N 297.185 3.931 30 20 CHED C=CCC(CC=C)C(=O)NCC[C@@]1(C)CC1(Cl)Cl 836918257 FISPCMLIUMAUMY-ZDUSSCGKSA-N 290.234 3.845 30 20 CHED C#Cc1cccc(CNC(=O)CCCSC(C)(C)C)c1 837104964 CQQJGUOCXNXNAZ-UHFFFAOYSA-N 289.444 3.596 30 20 CHED CSCc1ccccc1NC(=O)C#CC(C)(C)C 837532836 JFFCTYROVKOMCE-UHFFFAOYSA-N 261.390 3.538 30 20 CHED N#Cc1csc(C(=O)OCC2CCC(F)(F)CC2)c1 837568053 RDZJRDHXMBGXHR-UHFFFAOYSA-N 285.315 3.602 30 20 CHED CN(C(=O)C#CC(C)(C)C)[C@@H]1CCC[C@H]1c1ccccc1 837927022 FNSHFJTTXQRKNQ-DLBZAZTESA-N 283.415 3.831 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@@H](C)CC(F)(F)F)c1 840712604 JWFFQVMEJOPOGY-OAOMGELKSA-N 289.297 3.798 30 20 CHED Cc1cc(CNCC2(C#N)CCC2)cc(C)c1OC(F)F 841899525 WCMSLCRCDIYBBK-UHFFFAOYSA-N 294.345 3.688 30 20 CHED C[C@H](C(=O)OCCC(C)(C)C#N)c1ccc(Cl)cc1 845334873 GDHLPTAAWJCOJX-NSHDSACASA-N 279.767 3.927 30 20 CHED C=C(Cl)CNC(=O)C1(c2ccccc2Cl)CCC1 845570875 NUXIZVJPBLYBLL-UHFFFAOYSA-N 284.186 3.630 30 20 CHED Cc1ccsc1COC(=O)[C@H](C)Cc1ccc(C#N)cc1 846949511 FMIGTOTVZSFHSC-CYBMUJFWSA-N 299.395 3.850 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)Cc1ccc(C#N)cc1 851206414 RYQNLJWQSBIVRZ-KBPBESRZSA-N 298.386 3.608 30 20 CHED C=CCN(C[C@@H](O)c1ccc(Cl)cc1)C(C)(C)C 852554397 LJWNGKQTDJFWRL-CQSZACIVSA-N 267.800 3.660 30 20 CHED CCCn1nccc1/C=C\C(=O)c1cc(C)sc1C 853002645 RKGLSHNVYLRYHG-WAYWQWQTSA-N 274.389 3.868 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1ccc(C(F)F)nc1 853009645 MJTKINIVZBXLGH-XQRVVYSFSA-N 291.301 3.693 30 20 CHED CCOC1CCC(=NNc2cc([N+](=O)[O-])ccc2C)CC1 853298547 WBZSWDLNQQDBRX-UHFFFAOYSA-N 291.351 3.650 30 20 CHED C[C@@H](O)CN(C)N=C1CCCC[C@@H]1c1ccccc1Cl 853356562 HTOGGEHHTRBYFI-TZMCWYRMSA-N 294.826 3.666 30 20 CHED C[C@@H]1CCCCN1N=Cc1ncc(C(C)(C)C)s1 853381951 PEEYANXJDCESHD-LLVKDONJSA-N 265.426 3.649 30 20 CHED C(=NOCC1CCC1)c1ccccc1OCc1ccccn1 853439896 OFHZUHFUGMLBFZ-UHFFFAOYSA-N 296.370 3.811 30 20 CHED N#CCC1(COc2cccc3ccc(Cl)nc23)CC1 853690686 JGTIHYRMOPLOLI-UHFFFAOYSA-N 272.735 3.961 30 20 CHED CC(C)CCc1nc(CON=CC2CC2)cs1 853734697 IBYRKFCFVVHOFG-UHFFFAOYSA-N 252.383 3.644 30 20 CHED N#CC1(c2cccc(-c3ccccc3O)c2)CCOCC1 857833468 VDHXHGPSOQCPJH-UHFFFAOYSA-N 279.339 3.631 30 20 CHED Cc1c(NC(=O)OC(C)(C)C)cccc1N[C@H](C)C#N 864356791 QKQZGTHNIFUKOS-SNVBAGLBSA-N 275.352 3.666 30 20 CHED CC(C)(C)c1cc(N2CCC(CC#N)CC2)nc(Cl)n1 872505752 APDUQWIHHRIJQJ-UHFFFAOYSA-N 292.814 3.558 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1ccc(Cl)s1 877967708 OSSKYMDEVPXBCX-UHFFFAOYSA-N 271.813 3.962 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 879124507 VKPNLAGJLSDPMN-HOCLYGCPSA-N 287.403 3.577 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1cccc(-c2ncco2)c1C 879646554 UFNNBCMCLORCTO-KRWDZBQOSA-N 297.358 3.573 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccnc(-c2ccccc2)c1 880868122 DUNUWUXTRAMJKF-UHFFFAOYSA-N 294.398 3.967 30 20 CHED C[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 887701581 CHTLMICIOPHORV-KSSFIOAISA-N 296.414 3.700 30 20 CHED CC/C=C(/C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887704687 PFHMJGIYKDHVPE-CPSFFCFKSA-N 282.387 3.621 30 20 CHED N#Cc1ccc2c(n1)CCCN2C(=O)CCC1CCCCC1 892419043 ZYPYUPGTZVHRDV-UHFFFAOYSA-N 297.402 3.593 30 20 CHED N#C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C1CCCC1 893704332 KICFUYMKSHUUHN-ZDUSSCGKSA-N 297.185 3.806 30 20 CHED COCc1csc(CNc2ccc(C#N)cc2C)c1 894556269 DDSSPFPZOJVWHC-UHFFFAOYSA-N 272.373 3.687 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(CN(C)C)cc1F 894907920 XKWPAGFELFNMNM-LBPRGKRZSA-N 277.387 3.628 30 20 CHED N#Cc1ccc(Cl)cc1NCCOC1CCSCC1 897515123 JIXPVHVMMWYJPP-UHFFFAOYSA-N 296.823 3.536 30 20 CHED CS[C@H]1CCCC(=NNc2ccc(Cl)cn2)C1 901264726 MLMDBUARXHLLCF-NSHDSACASA-N 269.801 3.809 30 20 CHED C=C(C)C[C@@H](NC[C@H](C)CC1CCCCC1)C(=O)O 901681089 AWWZOLHFHINUAB-UKRRQHHQSA-N 267.413 3.602 30 20 CHED CC[C@H](NC1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 902890947 KGJLIGKMHKFTQT-XNJGSVPQSA-N 272.392 3.555 30 20 CHED COc1ccc(Cl)cc1[C@@H](C)NCC1(C#N)CCC1 903030750 FROAQELYTMDHJU-LLVKDONJSA-N 278.783 3.693 30 20 CHED COc1cc([C@@H](C)NCC(C)(C)C#N)ccc1SC 903099997 FKIBRYIRMNZSDM-LLVKDONJSA-N 278.421 3.617 30 20 CHED Cc1ccc(-c2ccc(F)c(C[C@@H](C#N)CO)c2)s1 904820846 XGRZEDCJUPKLPQ-NSHDSACASA-N 275.348 3.537 30 20 CHED CC1(C)CN(c2ccnc(C#N)c2)[C@@H]1c1cccs1 912162025 XNUPKWUMGTZFSE-CQSZACIVSA-N 269.373 3.602 30 20 CHED CCCCN(C(=O)/C=C/c1ccccc1C#N)[C@H](C)CC 914612117 UMHPXMUKJUWZSK-AYJWMTRPSA-N 284.403 3.999 30 20 CHED Cc1ccc(C)c(C=NNC(=S)Nc2ccccc2)c1 915923868 RYMXJCHWEPWENF-UHFFFAOYSA-N 283.400 3.624 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc2c(c1)CCC(=O)N2 915936093 OUARBOPSVQSTDO-UHFFFAOYSA-N 293.370 3.716 30 20 CHED N#Cc1ccc(C/N=C\c2cc(Cl)ccc2O)cc1 915981430 BLHACWYCHXIYRQ-ZDLGFXPLSA-N 270.719 3.536 30 20 CHED CC(=NNc1ccccn1)c1cc(C)c(C)cc1C 916273502 GZTDMDXMGGNKIL-UHFFFAOYSA-N 253.349 3.843 30 20 CHED CC(=NNc1ccccn1)c1cccc(Br)c1 916276150 MYCQSUVIEOVMCQ-UHFFFAOYSA-N 290.164 3.680 30 20 CHED CC(C)(C)c1ncc(C=NNc2ccc(C#N)cc2)s1 920373798 KLEXAUMWSVWGIW-UHFFFAOYSA-N 284.388 3.758 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H](C)c1cccc(F)c1 924808073 ZCNRNFFUJCSGNH-STQMWFEESA-N 262.372 3.847 30 20 CHED CO[C@@](C)(C1CC1)[C@H](C)NCCCCC1(C#N)CCC1 930714628 BJDSRIZIWOXCTI-GOEBONIOSA-N 278.440 3.644 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1cccc(O)c1)CC1CC1 934705828 DYMNZYGFOSOYJV-CQSZACIVSA-N 287.403 3.733 30 20 CHED CC1(CCC(=O)N[C@H](CCC#N)c2ccccc2)CC1 935027288 ILKFFJMUMRGDDP-OAHLLOKOSA-N 270.376 3.728 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1O[C@@H](C)C#N 935299592 XHNLNYHGZJJKDK-STQMWFEESA-N 272.348 3.518 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1CCCN1C(C)C 935833027 QBIFECOSZXQRTC-QGZVFWFLSA-N 286.419 3.617 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 935877080 VGBZHNCCGVVEPR-WZRBSPASSA-N 290.234 3.631 30 20 CHED Cc1csc(NC(=O)N2CC(C)(C)C2(C)C)c1C#N 1118308749 NDVVYSKFGQDAQB-UHFFFAOYSA-N 277.393 3.581 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 1120629023 MUNJATZWKGOYFD-QWRGUYRKSA-N 263.303 3.532 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ncsc2-c2ccccc2)C1 1122644820 ZOFYVXLUSPXRHJ-DGCLKSJQSA-N 298.367 3.659 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)CC2(C#N)CCCCC2)C1 1125457383 UOBQUMHXXOQPOJ-LSDHHAIUSA-N 276.424 3.793 30 20 CHED CC[C@H]1CCCN(C(=O)c2cc(C#N)ccc2C)CC1 1126031130 YPGOIAKYZOBZBB-AWEZNQCLSA-N 270.376 3.519 30 20 CHED C[C@H](NC(=O)c1sccc1C#N)C1CCCCCC1 1127858607 HSHGICBJZGPSJQ-NSHDSACASA-N 276.405 3.708 30 20 CHED CC[C@@H](CNc1cc(C)c(C#N)cn1)Oc1ccccc1F 1185621251 RIMVQEJLTDGLAT-AWEZNQCLSA-N 299.349 3.670 30 20 CHED CC(C)[C@@H](NC(=O)CC#Cc1ccccc1)c1ccccc1 1319641335 ZHEOBCZUWUZZEC-HXUWFJFHSA-N 291.394 3.942 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)[C@H]1CCCO1 1320307527 FGGLNLFERJUMHD-CYBMUJFWSA-N 252.745 3.615 30 20 CHED C=C(C)CNC(=O)c1nc(-c2ccccc2)oc1C1CC1 1320782733 MMSLEOLPGYMDRC-UHFFFAOYSA-N 282.343 3.525 30 20 CHED Cc1csc(CCCN[C@H]2CCc3ccc(C#N)cc32)n1 1324589394 VPXHLMRWTKWXDZ-INIZCTEOSA-N 297.427 3.533 30 20 CHED CC(C)(NC[C@H](O)c1ccc(C#N)cc1)C1CCCCC1 1326622518 BZNKNIRCASIBFW-KRWDZBQOSA-N 286.419 3.540 30 20 CHED C[C@@]1(c2nnc(-c3cccc(C#N)c3)o2)CC=CCC1 1327351735 AKUFQAGEDCDACK-MRXNPFEDSA-N 265.316 3.606 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)c1nc(C)cs1 1336761182 XYIDTGOPJZDBJQ-CHWSQXEVSA-N 278.421 3.512 30 20 CHED CN(C(=O)Nc1sccc1C#N)C1CCCCCC1 1341895090 QKRPJWBXMIKCKR-UHFFFAOYSA-N 277.393 3.806 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc2cc(C)c(C)cc2o1 1342733390 QBKUKXJVSVONKT-HIFRSBDPSA-N 273.376 3.901 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)[C@H](C#N)c2cccc(F)n2)C1(C)C 1344002936 DUMWGJMAXSMXRF-LALPHHSUSA-N 286.350 3.635 30 20 CHED C[C@@H]1C[C@H](OC(=O)c2ccc(C#N)cc2)CC(C)(C)C1 1461859256 QWTHJRYVGCVTQL-DOMZBBRYSA-N 271.360 3.930 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCC[C@H](C)C2)c1 1466836539 ANIZSNGSDFQVGY-LRDDRELGSA-N 285.391 3.909 30 20 CHED Cc1ccnc(N[C@H]2CCC[C@@H](C(C)C)C2)c1C#N 1472689180 VZSYDEHUFXBTRC-KGLIPLIRSA-N 257.381 3.888 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(F)cc2C#N)c(C)c1 1476233642 LRYZSJJSMNPQAO-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CC/C=C(\C)C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1520067900 AFFLFFLITGVXBZ-NAZIUFLLSA-N 287.750 3.749 30 20 CHED Cc1scc(COC(=O)c2sccc2C#N)c1C 1535277497 ULGRGRKKLMEKJG-UHFFFAOYSA-N 277.370 3.655 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)cc1F)[C@@H](C)c1ccccc1 1539827492 ZINGODHABUFHPF-OLZOCXBDSA-N 296.345 3.619 30 20 CHED C#Cc1ccc(CNc2ccc(Cl)c(C(=O)O)c2)cc1 1573313278 FVQWAUKPJGJXFL-UHFFFAOYSA-N 285.730 3.632 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N(CC)[C@H](C#N)CC 1617775991 KZOODUMYKPZGOL-IRXDYDNUSA-N 286.419 3.714 30 20 CHED C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC(C)(C#N)C1 1642930621 RHOMWOUONRRBKY-ZDUSSCGKSA-N 256.393 3.891 30 20 CHED Cc1cc(Nc2ccc3scnc3c2)ncc1C#N 1651029867 LOKNHDOHDYMBNB-UHFFFAOYSA-N 266.329 3.615 30 20 CHED Cc1ccc(C[C@H]2CCCN2C[C@@H](C)CCC#N)cc1 1651857499 INLSTGKGWGXYIT-FUHWJXTLSA-N 270.420 3.942 30 20 CHED N#Cc1cccc(C#N)c1NC[C@H]1CCCc2ccccc21 1654955343 ONEQPIPSPHHENI-QGZVFWFLSA-N 287.366 3.962 30 20 CHED CC[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@H]1C 1658335839 FJJZKKMRFOVOCD-WCQYABFASA-N 294.345 3.780 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)C1CCCC1 1776012934 XVGRIEBGNCMEAV-UHFFFAOYSA-N 260.337 3.753 30 20 CHED C=CCC1(C(=O)O)CCN(CC(CCC)CCC)CC1 1776159206 CGPXUOZSPITRBK-UHFFFAOYSA-N 281.440 3.946 30 20 CHED Cc1nc(SCCC(F)(F)F)c(Cl)cc1C#N 461965423 MYNUBUUUNOBAJO-UHFFFAOYSA-N 280.702 3.960 30 20 CHED Clc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 4725865 VNPZBFQBRDXABT-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)cc1)c1ccccc1 10842693 ZGPLGFFSJCIQFK-UHFFFAOYSA-N 279.339 3.579 30 20 CHED CCCCCCCC(=O)N(CCC#N)Cc1cccnc1 109040032 BXDGABZTIGBJAJ-UHFFFAOYSA-N 287.407 3.684 30 20 CHED CC(C)[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccccn1 113658732 JINYHHNGZWJCIU-MRXNPFEDSA-N 280.327 3.507 30 20 CHED C=CCC[C@H](NCc1ccc(CN(C)C)cc1)C1CC1 119905988 FXYWRJKBKIWJGW-SFHVURJKSA-N 272.436 3.583 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cccc(OC3CCCC3)c2)C1 179895502 KJHCXVFBUGDIEL-SUMWQHHRSA-N 299.370 3.857 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)CCc2cc(O)ccc21 102200554 UKBVFLNFTZJSBG-XNTDXEJSSA-N 292.334 3.540 30 20 CHED CN(CCC#N)C(=O)CC1CCC(c2ccccc2)CC1 108261516 VZHNSLGOHNCOMW-UHFFFAOYSA-N 284.403 3.723 30 20 CHED CCCCCC[C@H](C)CC(=O)Nc1ccn(CCC#N)n1 117713721 AMEQKKUQWPJOSZ-AWEZNQCLSA-N 290.411 3.732 30 20 CHED Oc1ccccc1/C=N/C[C@@H](O)c1cc2ccccc2s1 305015915 SYLQKHGZIDAFKG-BFERYNQYSA-N 297.379 3.759 30 20 CHED C=CCCCOC(=O)CCc1c[nH]c2ccccc12 117992556 ZLGYASDKFXVOSE-UHFFFAOYSA-N 257.333 3.610 30 20 CHED CC(C)Sc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 171550179 XAFPAKCIZBBARV-GFCCVEGCSA-N 276.405 3.561 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3nc(C)oc3c2)CC1 111719303 BFNSOMMGHAZGSC-UHFFFAOYSA-N 285.347 3.566 30 20 CHED Cc1ccc(N/C(N)=N\C[C@H](C)c2ccccc2)cc1C 303771014 CDXQOKANXXLINE-HNNXBMFYSA-N 281.403 3.834 30 20 CHED C=CCCS(=O)(=O)N1CCCCC[C@@H]1c1ccccc1 119779469 SLCCZDYKACXOAD-MRXNPFEDSA-N 293.432 3.510 30 20 CHED C=C(C)CN1CCC(Nc2cc(Cl)ccc2C#N)CC1 301269469 JFWAPOZLMUCUSP-UHFFFAOYSA-N 289.810 3.664 30 20 CHED N#Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 179272738 JFGMONVXSBGDNA-RCCFBDPRSA-N 296.414 3.781 30 20 CHED N#Cc1cc(Br)ccc1OCCCCCF 304461018 ZYPYPWKAVIQDBE-UHFFFAOYSA-N 286.144 3.839 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC1CCCC1 303453091 LHORJFDSNSAFHM-UHFFFAOYSA-N 264.413 3.707 30 20 CHED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccco1 118966430 WAPLQCHQQVYZMU-ONEGZZNKSA-N 252.191 3.593 30 20 CHED CCCNc1nnc(SCCCC(C)(C)C#N)s1 177215436 JCJDKDJJTJJPCG-UHFFFAOYSA-N 284.454 3.782 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(O)c2)s1 26764913 WPEIYZUAFZMLDE-SOFGYWHQSA-N 258.342 3.912 30 20 CHED C=CCSCc1cc(=O)oc2cc(C)c(C)cc12 177746962 XSVFBBYGKAIHKI-UHFFFAOYSA-N 260.358 3.829 30 20 CHED N#CCc1cccc(NCCCCC2CCOCC2)c1 313422672 FDKNNLNXCQISSM-UHFFFAOYSA-N 272.392 3.761 30 20 CHED C=CCN(C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 121325023 RPTJUEFFHWJXQH-UHFFFAOYSA-N 296.292 3.978 30 20 CHED N#Cc1ccc(F)cc1COc1ccc(Cl)cc1 229946888 PMDRKVWYKKKUIB-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC[C@H](c1ccccc1)S(=O)(=O)Cc1ccccc1C#N 173900595 NWSGTDYSKPEJJT-QGZVFWFLSA-N 299.395 3.624 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccccc1 121634686 BSMVDRIYGREZAT-CYBMUJFWSA-N 264.328 3.609 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 121056524 PCQZEIRIRQHEDR-UHFFFAOYSA-N 288.347 3.919 30 20 CHED COc1cccc2c(NCc3ccc(C#N)cc3)ccnc12 302445462 NZYXPVHACYJOHN-UHFFFAOYSA-N 289.338 3.727 30 20 CHED N#CCCCN(Cc1csc(Br)c1)C1CC1 125350231 GCRKQVVDPVOOEJ-UHFFFAOYSA-N 299.237 3.779 30 20 CHED CC[C@H]1CN(c2ccc(C#N)nc2)CC[C@H]1c1ccccc1 301509565 AITMMJJLXMADSQ-HNAYVOBHSA-N 291.398 3.973 30 20 CHED CCCCS[C@H](C)C(=O)N(CCC#N)C(C)(C)CC 189928347 PZNWUBAQUAYYON-CYBMUJFWSA-N 284.469 3.839 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cccc(Cl)c1 182631905 OQJMZXMRZXXKON-GFCCVEGCSA-N 265.784 3.744 30 20 CHED C=CCn1c(SC(C)C)nnc1-c1ccccc1 39752491 OYRPRQQJDFDMQM-UHFFFAOYSA-N 259.378 3.632 30 20 CHED C=C[C@H](CC(=O)N(CC)Cc1ccccn1)c1ccccc1 123407842 SGHHVJKQIRMMMU-MRXNPFEDSA-N 294.398 3.790 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC[C@@H](C)C1 35253274 VVFPLSYZGWDJKC-ZBFHGGJFSA-N 259.393 3.920 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1 186392106 GZCJZLWKUZANLX-YCRREMRBSA-N 285.318 3.906 30 20 CHED C=CCC[C@@H](N[C@H](C)Cc1ccc(O)cc1)C1CC1 120996841 OZNMBFRKMNNWAE-CXAGYDPISA-N 259.393 3.658 30 20 CHED CC[C@@H](CC#N)NCc1ccc(C)cc1Br 129623584 JKZVZXAUGMALBU-LBPRGKRZSA-N 281.197 3.539 30 20 CHED C[C@H](NC(=O)[C@H](C)c1ccccc1)c1ccc(C#N)cc1 125585564 QCKZOOXJEONJTH-KGLIPLIRSA-N 278.355 3.539 30 20 CHED C=C(Br)CN[C@H](C)c1cc2ccccc2o1 125152494 SUEVXCPOEKUOTQ-SNVBAGLBSA-N 280.165 3.992 30 20 CHED Cc1cc2nnc(S[C@H](C)CCC#N)n2c2ccccc12 188223373 KHESMFXYKXFJSH-GFCCVEGCSA-N 296.399 3.975 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccccc2C#N)s1 185460811 LIZDHIJAERCFRF-UHFFFAOYSA-N 270.357 3.995 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc(C)c(CC)s1 187236186 XWUQNLOOFIURSH-UHFFFAOYSA-N 299.395 3.883 30 20 CHED C=CCSCCNC(=O)N[C@H](C)c1cccc(C)c1C 509182070 WWWKMTOISWFZEW-CQSZACIVSA-N 292.448 3.583 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1CC[C@H](C)C1 128561178 YGWGPMFRHHXOGP-LSDHHAIUSA-N 264.413 3.601 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(Cl)nc1 71858153 HMTGDFPYCGFXFE-UHFFFAOYSA-N 288.734 3.584 30 20 CHED CC[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 73438574 OWXDBIKVCOSPSX-JTQLQIEISA-N 276.405 3.873 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](C)c1sc(CC)nc1C 120201462 MWAAPQMWCCNZMO-ZDUSSCGKSA-N 292.448 3.727 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(-c2ccccc2F)o1 183826827 IXPOYRVOLYSNGB-NSHDSACASA-N 286.306 3.508 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1CCC1 128098977 SFSPLLGQYUROCM-AWEZNQCLSA-N 299.418 3.667 30 20 CHED C=C(C)CCSc1nnc(C)n1-c1ccccc1C 505473266 HXSKWJQIGFUXOY-UHFFFAOYSA-N 273.405 3.942 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@H]1CCCc2ccccc21 317153416 IPRPJVBAMYWSCI-INIZCTEOSA-N 294.329 3.756 30 20 CHED C=C(C)CCc1noc(-c2ccc(Cl)c(OC)c2)n1 508679083 LKYXZXRMKZBKPM-UHFFFAOYSA-N 278.739 3.907 30 20 CHED Cc1nc([C@H](C)N(C)CC#N)oc1-c1ccc(Cl)cc1 125314199 ZEMZGTRJKIIRCX-NSHDSACASA-N 289.766 3.820 30 20 CHED C#CCCCCC(=O)N1CCCCc2c(OC)cccc21 180478932 ICSQOSIUVPBRHS-UHFFFAOYSA-N 285.387 3.558 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(C(C)C)no2)cc1 72784745 LGQDLLDNEUJLFY-UHFFFAOYSA-N 297.358 3.667 30 20 CHED C[C@H]1CCCN(C(C)(C)CN[C@@H](C)c2cccc(C#N)c2)C1 181557651 UIBRVKSNCGJYKU-HOTGVXAUSA-N 299.462 3.719 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)[C@@H](C)CC 183258655 WEACZRZZJCIRFP-GJZGRUSLSA-N 289.419 3.892 30 20 CHED C=CCOc1ccccc1C(=O)OCc1ccccc1F 219714557 KVRWQQOIHZQRPX-UHFFFAOYSA-N 286.302 3.748 30 20 CHED C[C@@H](CCC#N)Sc1nc2c(cc1C#N)CCCC2 188283218 PRFJNHXQTZNTLC-NSHDSACASA-N 271.389 3.616 30 20 CHED CSc1ccc(C(=O)/C=C/c2cccnc2)cc1F 132720941 REMDXPKZASPDMG-GQCTYLIASA-N 273.332 3.839 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC=CC[C@H]1C 412811144 BUJRBHNQMLQTOD-BPQIPLTHSA-N 283.415 3.892 30 20 CHED C=CCC[C@H](C)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 130189045 ILEVWSBGLHWJEP-KKUMJFAQSA-N 296.455 3.767 30 20 CHED C[C@@H]1C[C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)O1 413544165 YILZVQGQSFCGER-FOGDFJRCSA-N 298.308 3.802 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1coc(-c2ccccc2)n1 135073088 PJIGPCKQHSDKPA-KRWDZBQOSA-N 284.359 3.560 30 20 CHED CC[C@@H](C)Oc1ccc(Nc2ccc(C#N)cn2)cc1 48962636 LHHQAGKRMYPHEV-GFCCVEGCSA-N 267.332 3.874 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@@H](C)c1ccccc1 410223189 IJWDCOWMLIBAAL-RHSMWYFYSA-N 259.393 3.899 30 20 CHED N#Cc1cnc(NC[C@@H]2SCCc3ccccc32)c(F)c1 413175293 JUOXNPROMUQNSI-HNNXBMFYSA-N 299.374 3.535 30 20 CHED Cc1cccc(-c2cncc(C(=O)O[C@H](C#N)C3CC3)c2)c1 132444324 WEVPNKWEJCCAHJ-QGZVFWFLSA-N 292.338 3.516 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1OC 460075596 LZHHEPHHHKSQGB-CYBMUJFWSA-N 274.364 3.578 30 20 CHED CCc1cnc(C/N=C(/O)[C@H]2CCCc3sccc32)o1 329378808 MQVIPQIJXPCEER-LBPRGKRZSA-N 290.388 3.875 30 20 CHED C=CCN(C)[C@H](C)c1cccc(Br)c1 194971843 MMOWCEFOLAQXAN-SNVBAGLBSA-N 254.171 3.628 30 20 CHED CC(C)(Cc1cccc(Cl)c1)C(=O)NCCCCC#N 84759848 WXANBEXAADBCPS-UHFFFAOYSA-N 292.810 3.719 30 20 CHED COc1cccc(/C=N/[C@@H]2C[C@@H]2c2cccc(F)c2)c1O 194854018 PJSRMJKIGZGVDQ-LBDLAYEZSA-N 285.318 3.515 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-n2cccn2)c(F)c1 190766622 VZAUPQNIZKMJHO-INIZCTEOSA-N 287.338 3.552 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 134386322 IABHVYJKUJPGRQ-CZUORRHYSA-N 285.391 3.991 30 20 CHED COc1ccc2c(c1)CCC[C@H]2NCc1cccc(C#N)c1 193871643 ANWZYJOJOGNPGL-LJQANCHMSA-N 292.382 3.734 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCC1CCC1 425125904 HHBZFRRBPCTBES-CYBMUJFWSA-N 270.376 3.658 30 20 CHED C#CCCCC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 192165781 ZBUCKADZOUQKLV-HNNXBMFYSA-N 271.404 3.661 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)[C@@H](C)CCC 514819591 YFZXEAHTUBFJEM-STQMWFEESA-N 264.417 3.602 30 20 CHED CO[C@@H]1CC[C@@H](/N=C(/O)Nc2cccc3ccsc23)C1 329973869 ZTBWSVDCOKHASP-VXGBXAGGSA-N 290.388 3.795 30 20 CHED CCCCCCCC(=O)NCc1ccc(NC(C)=O)cc1 192578248 LZKAHUXQFWCIHP-UHFFFAOYSA-N 290.407 3.622 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1nc2c(C)cccc2s1 49341080 JKLKAPLWWAIZCN-NSHDSACASA-N 290.388 3.524 30 20 CHED Cc1ccnc(N/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 329407599 CNLTVWOCMIVPLJ-BFHYXJOUSA-N 273.380 3.685 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 424677313 QJNVKPUMFYCVOU-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C=CCOc1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1 428461919 QMPKVBMVTNRHSB-RDJZCZTQSA-N 257.377 3.626 30 20 CHED N#Cc1ccccc1CN(CCC(F)(F)F)CC1CC1 84138038 SVPPROFJIXECGK-UHFFFAOYSA-N 282.309 3.723 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCc2cc(F)ccc21 510457804 DBMXZEVXHZTLQL-UHFFFAOYSA-N 294.329 3.599 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2ccc(F)cc2C#N)CC1(C)C 332413613 APOCCXDNZWNUGW-CQSZACIVSA-N 289.354 3.596 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)NC[C@H](C)C#N 517220745 PNHBPSSQPJHKBA-KGLIPLIRSA-N 267.417 3.536 30 20 CHED CCc1ccsc1/C(O)=N/CC1CCC(C#N)CC1 330400879 DZFQZPQXVMBRMJ-UHFFFAOYSA-N 276.405 3.945 30 20 CHED CC(=O)CCc1ccc(OCCc2ccc(C#N)cc2)cc1 147138720 SUCYUZRYWZJVBI-UHFFFAOYSA-N 293.366 3.701 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(N)ccc21)c1cccc(C#N)c1 335479553 LPMZXCYYGBRCHT-BFUOFWGJSA-N 291.398 3.869 30 20 CHED N#Cc1ccccc1CN1CC[C@H](c2cccc(F)c2)C1 513454316 DYGRQEIXXRSBPC-KRWDZBQOSA-N 280.346 3.687 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1O 96765423 RTFYSTWYQDQPBZ-KXFIGUGUSA-N 290.265 3.575 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCc1ccsc1 425122603 CZQPRCRLZPLNDK-CYBMUJFWSA-N 298.411 3.772 30 20 CHED C=C(C)CNC(=O)Nc1cnn(-c2ccccc2)c1CCC 429572078 YVOQAIAQCGCNLY-UHFFFAOYSA-N 298.390 3.522 30 20 CHED C=C(C)COc1cc(CNCC2(CC)CC2)ccc1OC 236639143 XPECHXZVUMXJLE-UHFFFAOYSA-N 289.419 3.930 30 20 CHED N#CCCNCc1cnn(C2CCCC2)c1-c1ccccc1 421403485 XAURNHRIPCKZIV-UHFFFAOYSA-N 294.402 3.668 30 20 CHED N#Cc1ccncc1N1CCC[C@H](c2ccccc2)CC1 94154652 FPTCNFRNIMRFJW-INIZCTEOSA-N 277.371 3.727 30 20 CHED C=CCN(CCC#N)[C@@H]1CCc2c(Cl)cccc21 428847362 GCPRDKLEDHDRMO-OAHLLOKOSA-N 260.768 3.729 30 20 CHED Cc1cccc(OC[C@@H](C)NCc2ccc(C#N)c(F)c2)c1 421324321 JMYQCXLGMSSXIQ-CQSZACIVSA-N 298.361 3.563 30 20 CHED C=C1CCN(C(=O)CCc2cc(Cl)cs2)CC1 335889234 IACQUZSGBRHRFJ-UHFFFAOYSA-N 269.797 3.513 30 20 CHED C=CCC[C@@H](NCC1([C@H](O)c2ccccc2)CC1)C1CC1 90770741 VOLUVIRVFWLYOX-QZTJIDSGSA-N 285.431 3.835 30 20 CHED CC(C)(C#N)CCCCN1CCSC(C)(C)C1 232786644 BMDMKQFYJHRFCQ-UHFFFAOYSA-N 254.443 3.534 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)C2CC(F)(F)C2)s1 335249529 WAOKKCSOGWQDCL-UHFFFAOYSA-N 298.358 3.901 30 20 CHED CCC(C)(C)C/N=C(/O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 331195549 SBMVNBZLQJQPFD-CHWSQXEVSA-N 284.444 3.520 30 20 CHED CCc1nc(C(C)(C)/N=C(/O)c2sccc2Cl)no1 330634491 LHRNZBHBKXRDJQ-UHFFFAOYSA-N 299.783 3.587 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(F)c(C2CC2)c1 439798795 DRQBMYLKYOGXMM-JTQLQIEISA-N 262.328 3.789 30 20 CHED N#Cc1nn(Cc2nc3ccccc3s2)c2ccccc12 432484427 VJQQHETUPNGGOW-UHFFFAOYSA-N 290.351 3.566 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCCc1ccc(F)c(F)c1 527042109 RYYOXDIPGIBMHF-VXGBXAGGSA-N 253.336 3.698 30 20 CHED C[C@@H]1CC(F)(F)CCN1c1ccc2cc(C#N)ccc2n1 528207889 MBUDEXYVFPJFDN-LLVKDONJSA-N 287.313 3.730 30 20 CHED C=CCC(C)(C)CNC(=O)NCC1CCC(F)(F)CC1 432352886 FQOFZNNOFLNAHO-UHFFFAOYSA-N 288.382 3.713 30 20 CHED C=C(C)CCc1noc(-c2sc(CC)nc2C)n1 349785107 OUHHTKUOFOMWIV-UHFFFAOYSA-N 263.366 3.573 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl 248247548 RAIYJVSSOJIIQO-KGLIPLIRSA-N 277.795 3.868 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H]1C(C)=CCC[C@H]1C 435733160 UAEUFSMKANGDFW-VQHPVUNQSA-N 263.425 3.550 30 20 CHED C=CCC1(c2nc(Cc3csc(CC)n3)no2)CCC1 346119023 ZFXAYMKKVUFSEF-UHFFFAOYSA-N 289.404 3.677 30 20 CHED C[C@H](CCC#N)CN1CC[C@@H](c2ccccc2F)C1 602474704 MZMCKYJVLSPSGB-ZIAGYGMSSA-N 260.356 3.555 30 20 CHED C=CCn1c(O)nnc1S[C@H](C)c1cccc(Cl)c1 348121511 MKQQZUVUMRPAQZ-SECBINFHSA-N 295.795 3.676 30 20 CHED C[C@H](Nc1cnn(C(C)(C)C)c1)c1cccc(C#N)c1 183389321 FQTJUZXMKFZGCE-LBPRGKRZSA-N 268.364 3.683 30 20 CHED C[C@H](NCc1ccccc1F)c1ccc(C#N)c(F)c1 346058097 AZIAXDCAMKKXJH-NSHDSACASA-N 272.298 3.687 30 20 CHED CC[C@](C)(NCc1ccc(CC#N)cc1)c1nc(C)cs1 342748966 JWXGEKFXTPMXOI-KRWDZBQOSA-N 299.443 3.933 30 20 CHED CN(CCC#N)CC/C=C\c1ccc(Br)cc1 255298222 TZGABBZFNMSZGT-DJWKRKHSSA-N 293.208 3.698 30 20 CHED C/C=C(/C=C\C(=O)Nc1cc(C#N)ccc1OCC)CC 255621184 ZYOWIBLERREVEG-OPAZMITKSA-N 284.359 3.808 30 20 CHED C=CCOCCCN1CCC(c2c(F)cccc2F)CC1 348110129 BKXQTNWQEHDMPH-UHFFFAOYSA-N 295.373 3.737 30 20 CHED COc1cccc2cc(C(=O)/C=C\c3cncs3)oc12 254954757 SBXUQDQRZBEXFQ-WAYWQWQTSA-N 285.324 3.794 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 349358920 OXGKXWVRYUQNRT-HRCADAONSA-N 276.424 3.601 30 20 CHED COc1cc(C#N)cc(OCCSCc2ccccc2)c1 447787005 ILBZHXHHWQCYOY-UHFFFAOYSA-N 299.395 3.879 30 20 CHED C=CCCCN1CCC[C@H]1Cc1cccc(OC)c1 605150129 WFPLZEFDINCCJF-INIZCTEOSA-N 259.393 3.668 30 20 CHED C=CCN(CC=C)C(=O)CNc1cccc2ccsc12 443463193 IYAAFZZCOCTZFE-UHFFFAOYSA-N 286.400 3.514 30 20 CHED CC(C)[C@H](C#N)OC(=O)/C=C\c1cnc(C(C)(C)C)s1 254999608 UJJKGGQULGXIEL-DGMVEKRQSA-N 292.404 3.545 30 20 CHED Cc1cc(COc2ccc([C@H]3CCOC3)cc2)ccc1C#N 447405005 MZAXPMRBIVMUJC-SFHVURJKSA-N 293.366 3.950 30 20 CHED C=CCn1c(C2CCC2)nnc1N(CC1CC1)C1CCC1 350623586 QQYZVTLEEFLVKZ-UHFFFAOYSA-N 286.423 3.501 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cnn2ccccc12 351613214 UTQQMKBIITXPID-UHFFFAOYSA-N 297.402 3.543 30 20 CHED C=CC[C@@H]1N(C(=O)NCc2ccoc2)CCCC1(C)C 444977267 BYPRUTJQEYEGIF-AWEZNQCLSA-N 276.380 3.556 30 20 CHED N#C[C@H]1CC[C@@H](NCCCCCOC2CCCCC2)C1 442792675 OUVVYXFFUIXNHG-JKSUJKDBSA-N 278.440 3.788 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Nc2ncccn2)cc1 444612227 IDDSCDIGWYOMCJ-QGZVFWFLSA-N 296.374 3.761 30 20 CHED COc1cc(C)c([C@H](C)N(C)[C@@H](C)CC#N)cc1C 602460764 CCJGEBQJSWSROJ-KBPBESRZSA-N 260.381 3.607 30 20 CHED C=CCCCCCN(C)C(=O)c1sc(CC)nc1C 351388571 RSRUXXOEYVCSQC-UHFFFAOYSA-N 280.437 3.832 30 20 CHED CC(C)c1ccc(CNC(=O)c2ccccc2CC#N)cc1 600990510 TZRJKGJWHJAPCJ-UHFFFAOYSA-N 292.382 3.806 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)c2cc(C#N)oc2C)c1 353402291 XGXDNNLIAXYZJU-NSHDSACASA-N 298.342 3.889 30 20 CHED N#Cc1cccc(CSc2nncc3ccccc23)c1F 353199366 DXYZZMMFZSDLKL-UHFFFAOYSA-N 295.342 3.933 30 20 CHED C=CCCC1(C(=O)N(C)[C@H]2CC[C@H](SCC)C2)CC1 356244426 IFAFWKPJECDDKX-KBPBESRZSA-N 281.465 3.865 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C 539844991 KNVLBDAPMMBHDI-WFASDCNBSA-N 295.810 3.824 30 20 CHED CCS[C@@H](C)c1noc(/C=C\c2ccccc2C#N)n1 357323312 FVKBBEPKDAQHKP-IQQGHNRFSA-N 285.372 3.926 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1)C1CC1 536794089 AFNKDDAOAVGPMG-WMZOPIPTSA-N 298.430 3.758 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(OC)cc1 353417658 WAAFNWSRXFPKSR-UHFFFAOYSA-N 274.408 3.847 30 20 CHED CC[C@H](NCCCC#N)c1ccc(OC(F)(F)F)cc1 353672181 MXKAUFKHDAIPPJ-ZDUSSCGKSA-N 286.297 3.930 30 20 CHED CN(CC(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 263820590 ZTPQARZQDOEPAQ-UHFFFAOYSA-N 279.771 3.721 30 20 CHED Cc1nn(CCc2cccc(Cl)c2Cl)cc1C#N 359419483 LENGYFVSHQPGEK-UHFFFAOYSA-N 280.158 3.613 30 20 CHED CCCn1nc(C)c(CNc2cc(C)cc(C#N)c2)c1C 449761416 XGUVBKBXLQIQNY-UHFFFAOYSA-N 282.391 3.702 30 20 CHED CCc1nocc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 351759794 LQQKMBZQRVCGSG-SJLPKXTDSA-N 295.386 3.509 30 20 CHED COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(C#N)c1)CC2 610829985 VRSTZQYOGIBKMG-DJJJIMSYSA-N 292.382 3.905 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(OC(C)C)c(C#N)c1 358180279 JJKYHPYLYHPJCY-GFCCVEGCSA-N 274.364 3.720 30 20 CHED Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c(O)c1 353520488 WCNQQCIPADRYNM-HNNXBMFYSA-N 294.354 3.727 30 20 CHED COC[C@@H](C#N)Nc1ccc(Oc2ccccc2)cc1C 611996621 GOITVSVMPLCNSR-CQSZACIVSA-N 282.343 3.738 30 20 CHED C=CCC1(NC(=O)c2cccc3cnccc23)CCCC1 619108422 VOJMWSIFCKZEAH-UHFFFAOYSA-N 280.371 3.854 30 20 CHED N#Cc1ccc2[nH]c(=N[C@H]3C[C@H](c4ccccc4)C3)ccc2c1 619548817 VJQVGDLHMSSSRN-IYARVYRRSA-N 299.377 3.886 30 20 CHED N#CCSCCCN1CCC[C@@H]1/C=C\c1ccccc1 611554816 ZGGFJJPCPJHSSF-DOOKAGJSSA-N 286.444 3.811 30 20 CHED C=CCN(C(=O)NCC[C@@H]1CCCC[C@@H]1C)C1CC1 536797622 ORKXXNVBAYBRQI-KBPBESRZSA-N 264.413 3.563 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1cccc(OC)c1 455315407 TUWKFYCLLCCPAA-MRXNPFEDSA-N 288.391 3.508 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](Cc1ccccc1)C1CC1 614407682 WOKHLAVHPOQRLY-FQEVSTJZSA-N 290.410 3.978 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc2ccc(C)cc2o1 453366421 RAISZNSAQQNTON-YUELXQCFSA-N 271.360 3.735 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1ccc(C(C)C)cc1 611665009 FYCSPMVCPWBXNK-UHFFFAOYSA-N 288.435 3.960 30 20 CHED C[C@@H](C(=O)NCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 611690259 KBWHGFQWAGEBFM-SECBINFHSA-N 299.201 3.763 30 20 CHED C[C@@H](N=c1ccc2ccc(F)cc2[nH]1)c1cccc(C#N)c1 610340443 WUBAHJKXEYPWJV-GFCCVEGCSA-N 291.329 3.841 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCCSC2)CCCCC1 456373338 VQOIHILNPQZNMN-CYBMUJFWSA-N 267.438 3.525 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@](F)(C#N)C1 615596932 VBJBJHABUKTFGV-RDJZCZTQSA-N 294.414 3.693 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccnc1 369754085 INDKEZVUMOJOOT-GDBMZVCRSA-N 287.407 3.673 30 20 CHED Cc1ccnc(N2CCCC[C@@H]2CC(C)C)c1C#N 543135383 HIRARUHPWSXYDX-CQSZACIVSA-N 257.381 3.667 30 20 CHED Cc1ccc(NC(=O)CC(C)(C)C#N)cc1-c1ncco1 365136366 UCCCURDWGADRGV-UHFFFAOYSA-N 283.331 3.528 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](C(C)(C)C)C2)c1 455953576 LDCGGBJGGZRONB-CQSZACIVSA-N 285.391 3.767 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc([C@H]2CCCC[C@@H]2CC)no1 453188934 RCQQBTLTORVSAD-FQUUOJAGSA-N 276.380 3.812 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 278900032 JQXYJIIYNCTYOZ-QMMMGPOBSA-N 291.342 3.752 30 20 CHED C=CCC1(C(=O)N2C[C@H](C3CC3)O[C@H](C)C2)CCCCC1 451323708 JKQWQOVWPAMYDX-GDBMZVCRSA-N 291.435 3.539 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C 456317779 FNIJBWKZQZZKRV-SQWLQELKSA-N 251.414 3.728 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)OCc1ccc(F)cc1 620856388 WEZHRVVMTSUHIG-CYBMUJFWSA-N 293.382 3.592 30 20 CHED C=CCCCN[C@@H](c1ccccc1)C1CCOCC1 362259159 TYHBOKVFNBLXLE-KRWDZBQOSA-N 259.393 3.710 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 454519099 HKOVHHQGZNAADB-JHJVBQTASA-N 292.810 3.850 30 20 CHED Cc1cc([C@@H](C)NC(=O)N(C)CC(C)(C)C#N)c(C)s1 457761233 ZUNVDXHGONZYPK-LLVKDONJSA-N 293.436 3.617 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2snc(Cl)c2C#N)CCO1 270803533 VAWYIHDVXZPIQE-WPRPVWTQSA-N 299.827 3.674 30 20 CHED C=C(CNC(=O)[C@H]1CCC[C@@H]1CC)c1ccccc1 451754303 ISDNHQZJBOTKFO-HOCLYGCPSA-N 257.377 3.642 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC=C(F)C1)c1ccccc1 274169348 WHJXRDFBXZRPMF-MRXNPFEDSA-N 288.366 3.963 30 20 CHED CC(C)(C#N)CCCCN1CC(C)(C)[C@@H]1[C@H]1CCCO1 377648565 UZKOKWXREGJNGC-CABCVRRESA-N 278.440 3.596 30 20 CHED CCCC(O)(CCC)CNc1c(Cl)cccc1C#N 462854695 NIKRFZDIQSTDFV-UHFFFAOYSA-N 280.799 3.955 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 548290621 YGXVEKGEZTVGOU-BXUZGUMPSA-N 290.794 3.910 30 20 CHED CC#CCCNC(=O)Nc1ncc(C2CCCCC2)s1 542727374 GOUVLRUBKPSIPG-UHFFFAOYSA-N 291.420 3.726 30 20 CHED C=CCN(C(=O)c1ccccc1OC(F)F)C(C)(C)C 622943047 MEWXAGSDENFKFO-UHFFFAOYSA-N 283.318 3.715 30 20 CHED N#CCc1cccc(-c2nc(-c3cc(F)cc(F)c3)no2)c1 547033712 XKRROJNPWHCEAA-UHFFFAOYSA-N 297.264 3.748 30 20 CHED Cc1ccccc1NC(=O)[C@H](C)SCCC(C)(C)C#N 289462173 VFADECYDEKPESF-ZDUSSCGKSA-N 290.432 3.995 30 20 CHED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 283540514 IFXMFLPFDOGCQZ-BCDXTJNWSA-N 281.399 3.727 30 20 CHED Cc1ccccc1C(C)(C)C(=O)Nc1ccc(C#N)c(F)c1 464644761 CJGGVCPOUNRSGQ-UHFFFAOYSA-N 296.345 3.922 30 20 CHED C=CCCN(C)Cc1c(C)cc(C)c(C(C)=O)c1C 467285692 JROCNTURFMUJRU-UHFFFAOYSA-N 259.393 3.822 30 20 CHED C=CCCCCCCNC(=O)Cc1noc2ccccc12 287134140 QWWNRRZBRIXALI-UHFFFAOYSA-N 286.375 3.623 30 20 CHED CC#CCCCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 281149837 VDVVNXZXWFZNIK-LSDHHAIUSA-N 275.779 3.506 30 20 CHED CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(C(C)(C)C#N)cc1 281440192 CKZUYYCCUOGVQW-BBRMVZONSA-N 284.403 3.748 30 20 CHED Cc1cccc(CCC(=O)OCc2cc(C#N)ccc2F)c1 805867232 AXKSEXXZHXHCRC-UHFFFAOYSA-N 297.329 3.682 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC(CF)CC1 295189474 SWHDRCRGEGCIDB-UHFFFAOYSA-N 274.383 3.669 30 20 CHED CC(C)c1[nH]ccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 803780682 CFOGZBHAMBHKRP-GFCCVEGCSA-N 282.343 3.928 30 20 CHED C=CCOc1ccccc1CN[C@H]1[C@@H]2c3ccccc3C[C@H]21 557521643 RABHTNBCHYCXFF-MISYRCLQSA-N 291.394 3.679 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C)c1nnc(C)s1 298813007 AJVBNOKKLJMZKC-GFCCVEGCSA-N 279.453 3.976 30 20 CHED N#Cc1cccc(C2(NCc3ccnc4ccccc34)CC2)c1 551230373 YKGAENUMDLBOEH-UHFFFAOYSA-N 299.377 3.885 30 20 CHED CC(C)CCCCCC(=O)Nc1n[nH]c(C2CC2)c1C#N 807699695 VCGMHMOIRXOGQK-UHFFFAOYSA-N 288.395 3.704 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1n[nH]cc1C 290323249 BXCLWHZTYSLSTL-UHFFFAOYSA-N 281.812 3.621 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C=C1CCCCC1 804836576 QNCSPSTZIXICMV-UHFFFAOYSA-N 267.372 3.539 30 20 CHED C=CCC[C@H](NC(=O)c1cccnc1F)c1ccccc1 807112726 BXUFSRKFUDGBSN-HNNXBMFYSA-N 284.334 3.658 30 20 CHED CC(C)(CC#N)CN[C@H]1CCc2c(Cl)cccc21 563943139 RNFJWGPQFDAFGY-AWEZNQCLSA-N 262.784 3.857 30 20 CHED N#CCCCCCC(=O)OCCCC1CCCC1 805698215 XGOLQMSZBLUHAH-UHFFFAOYSA-N 251.370 3.974 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@@H](C)CC2(C)C)c1 472717212 WUKSEFNPTXPIEA-ZDUSSCGKSA-N 288.391 3.904 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H]2c3ccccc3O[C@@H]2C)c1 809145242 ZJZMXMSXJDPJRQ-WJIZZEOWSA-N 297.354 3.732 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@]1(C)C(C)C 476389766 OSIYDBYPHHKWIA-MAUKXSAKSA-N 287.403 3.550 30 20 CHED C[C@H](c1cccc(Cl)c1)S(=O)(=O)CCC(C)(C)C#N 565590672 DYLJNCTYWGLSLI-LLVKDONJSA-N 299.823 3.756 30 20 CHED C#CCOc1ccc(NC(=O)N(CC)C(CC)CC)cc1 808830170 RQGUFLMVERAFBB-UHFFFAOYSA-N 288.391 3.741 30 20 CHED CC(C)(C)c1ccc(C(=O)OCCCSCC#N)s1 805497324 VUAWVTJERFDICE-UHFFFAOYSA-N 297.445 3.849 30 20 CHED C#Cc1ccc(CNCc2cccc(OC(C)C)c2)cc1 809607264 UQZWGRYYDYUPSL-UHFFFAOYSA-N 279.383 3.745 30 20 CHED C#Cc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 809558809 CIXKBOJFSHAAEF-UHFFFAOYSA-N 297.442 3.982 30 20 CHED CC(C)N(Cc1ccc(C#N)cn1)Cc1ccccc1F 566415902 BGGYIDPHURJTTD-UHFFFAOYSA-N 283.350 3.503 30 20 CHED CCC1(C)CCN(C(=O)Nc2scc(C)c2C#N)CC1 566419927 DCFBCZFLKFCSBG-UHFFFAOYSA-N 291.420 3.972 30 20 CHED C=CCCc1noc(CCc2cccc(Cl)c2)n1 565816712 PCRKOHJUFFRUGX-UHFFFAOYSA-N 262.740 3.627 30 20 CHED O=C1/C(=C/c2ccc(O)cc2)Oc2cccc(Cl)c21 811698489 KQTVZXNEJKLRDG-JYRVWZFOSA-N 272.687 3.662 30 20 CHED C=C(C)CN1CCC(NCC(C(C)C)C(C)C)CC1 560049872 UMHRVIPMKCFOBL-UHFFFAOYSA-N 266.473 3.545 30 20 CHED C=CCCCC(=O)NC[C@H](CC)Oc1ccccc1C 488657911 ICFOAJFDAIAKOX-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C=CCCc1ccccc1NC(=O)NOC/C=C/Cl 810235566 QWDQBMBNJVRMCE-UXBLZVDNSA-N 280.755 3.611 30 20 CHED COc1ccc(NN=C2COc3ccc(Cl)cc32)cc1 814885049 KOFSBPNPJDNAAH-UHFFFAOYSA-N 288.734 3.557 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CCCCC 489287167 ISNDPDYNFNGIEH-LSDHHAIUSA-N 267.413 3.539 30 20 CHED CC(CCCCCCC(=O)O)=NNc1cccc(C#N)c1 814786596 NVEGMCWSGUOYCV-UHFFFAOYSA-N 287.363 3.771 30 20 CHED COc1ccc(F)cc1C=NN[C@@H](C)c1ccccc1 812226933 MKMFXTBNMBHZQN-LBPRGKRZSA-N 272.323 3.519 30 20 CHED C=CCCCCCCCNC(=O)NCc1nc(C)cs1 811852966 JAAVQASNIIFZJW-UHFFFAOYSA-N 295.452 3.777 30 20 CHED C=CCCCS(=O)(=O)Oc1cc(Cl)cc(Cl)c1 813645399 UGAOBHVYLXMFJN-UHFFFAOYSA-N 295.187 3.668 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3ccc(C#N)c(C)n3)C2)cc1 487756380 CWRYJDLARLDMOU-RDTXWAMCSA-N 291.398 3.953 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1nc2cccc(Cl)c2n1C 480672076 NZNRTKCAXFXPRJ-NWDGAFQWSA-N 291.826 3.917 30 20 CHED COc1ccc([C@@H](C)C(C)=NOCCC2CC2)cc1 814245128 SHXDJNNEOBDYQO-LBPRGKRZSA-N 261.365 3.991 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3cc(F)ccc31)CC2 571368770 VIPHHFVGEQCHIF-RBUKOAKNSA-N 292.357 3.962 30 20 CHED FC(F)(F)c1cccc(C=NOC/C=C/Cl)c1 811670677 YOPBUTWXOYILKX-VXXAXXLESA-N 263.646 3.808 30 20 CHED C=CC(C)(C)c1nc(-c2cc(N3CCCCC3)ccn2)no1 656054132 ASNTVLHEMFUZRH-UHFFFAOYSA-N 298.390 3.586 30 20 CHED CCCC[C@H](CC)CC(=O)N[C@](C)(C#N)CCSC 573998618 GVHCQUVGRNSXFB-ZFWWWQNUSA-N 284.469 3.744 30 20 CHED C=CCC(C)(C)CNCc1c[nH]nc1-c1ccc(OC)cc1 570064110 UJEUJRASNQZQDH-UHFFFAOYSA-N 299.418 3.777 30 20 CHED CSC(C)(C)CC=NNCCCOc1ccccc1 814838647 WFRQRHIJELNZKH-UHFFFAOYSA-N 280.437 3.563 30 20 CHED CC[C@H](C)C[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 574441640 AOFCBOKKVRZJDV-GDZNZVCISA-N 256.393 3.960 30 20 CHED CN(Cc1ccccc1)CC(C)(C)C=NOCCC1CC1 814245811 JAHAIJDTAMDGER-UHFFFAOYSA-N 288.435 3.947 30 20 CHED C1CCC([C@H]2CCCCC2=NNC2CCOCC2)CC1 814869140 CSVMQMUCFHRDRJ-MRXNPFEDSA-N 278.440 3.882 30 20 CHED C=CCC(C)(C)CNC(=O)CCNc1ccccc1C 489888656 VFJYSOKLQNUPRY-UHFFFAOYSA-N 274.408 3.516 30 20 CHED CC[C@H](C)[C@@H](C=NNc1cc(Cl)nc(Cl)c1)OC 819828714 NNLWEARZNRRJDH-WCBMZHEXSA-N 290.194 3.847 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 489766137 LHISFYNTYJYXFE-UONOGXRCSA-N 293.357 3.787 30 20 CHED C=C(C)COc1cc(CN[C@]23CCC[C@H]2C3)ccc1OC 657550785 KAVTWFNOSKLWTQ-YJBOKZPZSA-N 287.403 3.682 30 20 CHED C=CCCCCC[C@H](C)NCc1cnccc1OC 815628459 AKLGWVRJMPZIPS-AWEZNQCLSA-N 262.397 3.705 30 20 CHED c1cc2c3c(c1)C(=NNC[C@@H]1CCSC1)C[C@H]3CCC2 811661423 KXLYUTHLBSOBMN-GXTWGEPZSA-N 286.444 3.557 30 20 CHED CCCCCCCOC(=O)c1ccc(N2CCCC2)nc1 727209529 NTIDMQAUNCYBGG-UHFFFAOYSA-N 290.407 3.809 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 726438053 KKWLIUNLIABWDA-XJKCOSOUSA-N 286.444 3.779 30 20 CHED Fc1ccc(-n2cc(C=NNc3cccc(F)c3)cn2)cc1 728174172 KTJKZZZFPHHSHG-UHFFFAOYSA-N 298.296 3.597 30 20 CHED C#Cc1ccc(C(=O)N(CCCCC)CCCCC)cn1 728815228 UIKZGPFUECQTOG-UHFFFAOYSA-N 286.419 3.886 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)cn1 728810640 KWJZFIXVRAIVBN-HNNXBMFYSA-N 292.382 3.513 30 20 CHED Cc1ccc(C)c(C(=O)OCc2ccc(F)cc2C#N)c1 728613461 JHUOXGZUSOZOMU-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C)c1cccc(C#N)c1 820004506 YWQYYOYCYRCKEC-GFCCVEGCSA-N 257.333 3.765 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1cc2cccc(Cl)c2s1 576042823 SKRABCDPDZTLSC-LLVKDONJSA-N 292.791 3.833 30 20 CHED Cc1nsc(NC[C@H](C)c2ccc(F)cc2)c1C#N 572187302 LAXXJCWKLMDXAR-VIFPVBQESA-N 275.352 3.678 30 20 CHED CCc1ccc(CCN[C@@H]2CCc3ccc(C#N)cc32)cc1 576745292 JNQZRAXBZIOWIE-HXUWFJFHSA-N 290.410 3.940 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](C)c1ccsc1 491711748 VLKXFOCEQFIZMB-AWEZNQCLSA-N 283.396 3.514 30 20 CHED Cc1ccc([C@@H]2CCCN2Cc2ccc(C#N)cn2)cc1 571891807 DKJHMYRHLSMIAL-SFHVURJKSA-N 277.371 3.599 30 20 CHED CC(CCC(C)C)=NNCCCOc1ccccc1 729148608 CKAZSCZMMBWAMS-UHFFFAOYSA-N 262.397 3.857 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)CCc2ccco2)CCCC1 663470686 QERLQHGFSCGRKD-AWEZNQCLSA-N 290.407 3.789 30 20 CHED CCCCCC[C@H](C)CC(=O)N(CC)C[C@H](C)C#N 727673919 HQAOMCBBIFTOOK-LSDHHAIUSA-N 266.429 3.991 30 20 CHED CCOc1ccc(O)c(/C=N\CCSC(C)(C)C)c1 727265249 MAAFFCZNHNWKBO-WJDWOHSUSA-N 281.421 3.742 30 20 CHED C#CCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1 727042148 UKASRPIGHJQETO-UHFFFAOYSA-N 276.763 3.718 30 20 CHED CCc1ccccc1Cc1noc(-c2cc(C#N)oc2C)n1 589148999 ICULGXYWNHCZGS-UHFFFAOYSA-N 293.326 3.663 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc2c(c1)CCOC2 669048724 ACZRZNRDYMBEAH-UHFFFAOYSA-N 287.403 3.578 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc3oncc3c2)cc1 821021540 HLZVNRRPEKNOCN-XVNBXDOJSA-N 274.279 3.596 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccnc(OC3CCC3)c2)no1 583778163 FKZQAXXRYDZRRN-QGZVFWFLSA-N 299.374 3.917 30 20 CHED C#CCO[C@@H](C)C(=O)N(C1CCCC1)[C@@H](C)c1ccccc1 823826629 MSCWEQHUSJNGOI-HOTGVXAUSA-N 299.414 3.557 30 20 CHED C=CCCCC(=O)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 491553379 YYSAHNMLGGNAAF-AWEZNQCLSA-N 296.414 3.806 30 20 CHED N#CC1(CCCCOC(=O)CCc2ccoc2)CCC1 909061709 BLKMHXROWCQMMR-UHFFFAOYSA-N 275.348 3.620 30 20 CHED N#CC1(CCCCn2cc(Br)cn2)CCC1 901493351 FWRSMTNLBXSHCQ-UHFFFAOYSA-N 282.185 3.510 30 20 CHED N#CC1(CCOc2ccc3c(c2)OCC3=O)CCCCC1 664135815 NUTZLPFEVMAGRA-UHFFFAOYSA-N 285.343 3.505 30 20 CHED Cc1cccc(/C=C\C(=O)c2cccnc2)c1OC(F)F 588394050 RTESRKPSIIYFCY-FPLPWBNLSA-N 289.281 3.888 30 20 CHED CC#CCCNC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 498602906 DAZNKWIQQVYTTJ-HNNXBMFYSA-N 286.419 3.595 30 20 CHED Cc1cc(CN(C)[C@@H](C)CC#N)ccc1N1CCCCC1 828041913 YXCDGJLCNKZLIP-INIZCTEOSA-N 285.435 3.719 30 20 CHED COc1cc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)sn1 901488110 DSZHEFICWAQWAL-UGMNDJHYSA-N 297.379 3.852 30 20 CHED COc1cccc(/C=N/C[C@H]2CCc3ccccc32)c1O 731938868 WTJIZVBZLJMYOY-ONDHQXCVSA-N 281.355 3.550 30 20 CHED CC(C)CC(=NNc1nccnc1Cl)c1ccccc1 733079128 WHIRBSZPWWLDIO-UHFFFAOYSA-N 288.782 3.992 30 20 CHED Cc1cc(OC(=O)C[C@@]2(C)CC2(Cl)Cl)ccc1C#N 839340553 YYFUDUAIUUZSJD-ZDUSSCGKSA-N 298.169 3.746 30 20 CHED Cc1ccc(C=NNc2cccc(C(F)(F)F)n2)s1 739421648 LLVLVMPYEURPBO-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C#CCOc1cccc([C@@H](C)OC(=O)c2cc(C)oc2C)c1 730701867 VFTLWUZPKLCOHV-CYBMUJFWSA-N 298.338 3.826 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 835213523 WRZUIKQMXCOXRB-JOYOIKCWSA-N 285.265 3.811 30 20 CHED C=CCCNC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 661570610 IMJYQPSLSDAGPW-UHFFFAOYSA-N 299.201 3.637 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ncoc1-c1ccc(C)cc1 839039471 PYISZPUADPSFMM-CYBMUJFWSA-N 283.327 3.609 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCc2sc(Cl)cc21 583116628 RFODSXSNWADISN-WCBMZHEXSA-N 284.812 3.653 30 20 CHED COCOc1ccc(C#N)cc1-c1cc(N(C)C)ccc1C 904880905 HTJJGNOQOUBRCQ-UHFFFAOYSA-N 296.370 3.582 30 20 CHED C=CC[C@@H](NC(=O)c1cc2ccsc2[nH]1)c1ccncc1 734455974 PMDQJQKYEHYGSJ-CYBMUJFWSA-N 297.383 3.672 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ccsc1 678861022 WWNWKUQBTCMNIP-LBPRGKRZSA-N 266.410 3.634 30 20 CHED CCC(C)(C)C(=O)OCCCCC1(C#N)CCC1 908978437 IZODEJYWFBBPSE-UHFFFAOYSA-N 251.370 3.830 30 20 CHED COc1cc(Cl)ccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839049707 SCBHRHXWUADXOO-CMPLNLGQSA-N 293.750 3.588 30 20 CHED C[C@H](NN=C/C=C\c1ccc(F)cc1F)C(F)(F)F 834998601 VZKJQXARFFRXLL-JHMWOJTGSA-N 278.224 3.504 30 20 CHED CC[C@@H]1CCCC(=NNc2nc3ccccc3[nH]2)C1 734977299 MUDVIJPHUSWQEM-LLVKDONJSA-N 256.353 3.931 30 20 CHED CCn1cncc1/C=C1/CCc2ccc(Cl)cc2C1=O 901489494 KMJYVVAORSWPFD-GHXNOFRVSA-N 286.762 3.769 30 20 CHED COc1cc(C)ccc1N[C@H]1CCc2ccc(C#N)cc21 589343587 MVDUGAUNWXSUIS-INIZCTEOSA-N 278.355 3.975 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 589350528 KWSMCIPZMLNCQY-QWRGUYRKSA-N 277.343 3.644 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)c1ccsc1 834673736 UAZKZGWLFLWACX-OAHLLOKOSA-N 274.364 4.000 30 20 CHED CC(CCC1CCCC1)=NN[C@@H](C)C(F)(F)F 835000101 IWZJUNLDCBQVIP-JTQLQIEISA-N 250.308 3.873 30 20 CHED C=CCCCCNC(=O)c1ccc(C(F)(F)F)s1 671797583 LXNHGCGCIBRZCI-UHFFFAOYSA-N 277.311 3.853 30 20 CHED C=C(Cl)CN1CCC(C(=O)c2ccc(C)cc2C)CC1 914814607 AEGIJKNQSJJTKK-UHFFFAOYSA-N 291.822 3.951 30 20 CHED N#CCC1(CNc2ccc(-c3ccccn3)cc2)CC1 594704817 OFKIFLYGWWZNCI-UHFFFAOYSA-N 263.344 3.854 30 20 CHED N#CCCCCSCc1ncsc1Br 596422300 RRGOKGUXZSNETC-UHFFFAOYSA-N 291.239 3.833 30 20 CHED Cc1ccc([C@H]2[C@@H](C)CCCN2c2cc(C#N)cnn2)cc1 596154093 KVEHQHYEAMIWBP-KBXCAEBGSA-N 292.386 3.634 30 20 CHED CCOc1cc(C=NOCC(C)C)cc(Cl)c1OC 749636411 IGIWCNCLBDFHHN-UHFFFAOYSA-N 285.771 3.754 30 20 CHED Cc1cccc(NC(=S)N[C@H](C)c2cccc(C#N)c2)c1 743059362 FLJUFGWXNHBETL-CYBMUJFWSA-N 295.411 3.914 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1c1ccc(F)cc1C 836311492 LXSXPMSLGXHMOY-AWEZNQCLSA-N 296.773 3.733 30 20 CHED C=C(Cl)CNC(=O)[C@H](CC(C)C)c1ccccc1 740826928 YEGCZMJTXCKSKH-CQSZACIVSA-N 265.784 3.685 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(Oc2ccccc2)o1)C1CC1 598131135 KGPADSTXHXIDTP-LBPRGKRZSA-N 296.326 3.589 30 20 CHED C[C@@H](Cc1ccncc1)/N=C\c1c(O)ccc2ccccc12 749844888 NGKICINZKSLTEV-DTHVTWRFSA-N 290.366 3.991 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H](C)CC1 594009430 MOJYHOTXXVTRGS-RVKKMQEKSA-N 298.430 3.822 30 20 CHED O=C1/C(=C\c2coc(-c3ccccc3)n2)Oc2ccccc21 749893292 FNIBJLWGPKYFEU-MHWRWJLKSA-N 289.290 3.958 30 20 CHED C=CCn1c(S[C@@H](C)C(C)C)nc2ccccc2c1=O 591038037 HRBYOELTHXDFOH-LBPRGKRZSA-N 288.416 3.719 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCC[C@H](CC)C2)c1 741056622 IDKOQOXTEJXHBV-HOCLYGCPSA-N 270.376 3.758 30 20 CHED CC(C)CCCCCC(=O)Nc1ccc(C#N)c(C#N)c1 747879382 SXCZBWPKBOZHKO-UHFFFAOYSA-N 283.375 3.975 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(C)(C)C 598872058 RGMXNYUHNGSATQ-AWEZNQCLSA-N 284.403 3.550 30 20 CHED C(=NNc1nccc2sccc12)c1cccs1 915979169 DIQNCHRYWWTXNE-UHFFFAOYSA-N 259.359 3.804 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCCC2(CSC)CC2)C1 595737437 BWGIULRFMWAYAR-AWEZNQCLSA-N 296.480 3.517 30 20 CHED CCCCCCCOc1cc([N+](=O)[O-])ccc1OC 915666821 IIQBRTQCWRVSAJ-UHFFFAOYSA-N 267.325 3.953 30 20 CHED COc1ccccc1-c1cccc(C2(C#N)CCOCC2)c1 592984387 BHAHZTFZJLMUGZ-UHFFFAOYSA-N 293.366 3.934 30 20 CHED CCCCc1ccc(NC[C@H](O)CC(C)(C)C#N)cc1 598725483 GGLMEFIBNJKTEN-MRXNPFEDSA-N 274.408 3.742 30 20 CHED C#CCCCCCC(=O)Nc1ccn(-c2ccc(C)cc2)n1 847206694 ZEEKMJRFIHYPFM-UHFFFAOYSA-N 295.386 3.703 30 20 CHED Cc1ccc(C=NNc2ncnc3sc(C)c(C)c23)o1 916310433 WCXUYQRFEPBJAA-UHFFFAOYSA-N 286.360 3.656 30 20 CHED C=CC[C@@H]1N(Cc2cn(C)nc2CC)CCCC1(C)C 683724057 TVFZONNNQQLEDQ-INIZCTEOSA-N 275.440 3.549 30 20 CHED CC[C@@H]1CC[C@@H](C)N(c2nc(C#N)c(Cl)s2)C1 596495991 JIOYSNMQLBIIPS-RKDXNWHRSA-N 269.801 3.683 30 20 CHED C=CC[C@H](C(=O)OCCc1cccc(C)n1)c1ccccc1 842841426 WVRPTEKXDFIEIF-SFHVURJKSA-N 295.382 3.836 30 20 CHED C#CCCCNC(=O)/C=C\c1ccc(C(C)(C)C)cc1 742789050 QENJNDVTOVYKQK-RAXLEYEMSA-N 269.388 3.527 30 20 CHED COc1ccc(CCC(C)=NOCC2(C#N)CCC2)cc1 842025213 UMIAMENKIDOHHN-UHFFFAOYSA-N 286.375 3.714 30 20 CHED Cc1cc(C#N)ccc1NC[C@@H](c1ccsc1)N(C)C 846746140 RMSMPHBYAUNBRD-INIZCTEOSA-N 285.416 3.643 30 20 CHED C=C[C@H](C)ONC(=O)c1cccn1[C@H](C)Cc1ccccc1 846551184 XQZGLKDLNHWRCS-CABCVRRESA-N 298.386 3.528 30 20 CHED N#Cc1ccc(CCN[C@@H](c2cccnc2)C2CCC2)cc1 595056778 WFCAIPIGDPHBHV-LJQANCHMSA-N 291.398 3.627 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 845624595 XAUSAXLMHNZGTE-AFAVFJNCSA-N 296.370 3.501 30 20 CHED CCOc1ccccc1C=NOCCOc1ccccc1C 849812244 VGXPSTPSYKYFIG-UHFFFAOYSA-N 299.370 3.823 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1cncc(Cl)n1 920375712 OJQOXRSRTPLKEB-UHFFFAOYSA-N 288.782 3.859 30 20 CHED N#C[C@@H](c1ccccc1)n1ccnc1[C@H](O)C1CCCCC1 849951347 MNFVUJPPZWFIQH-DLBZAZTESA-N 295.386 3.610 30 20 CHED C=CCCN[C@@H](C)c1ncc(C(F)(F)F)cc1Cl 926685030 JYKODQITCRPFIR-QMMMGPOBSA-N 278.705 3.981 30 20 CHED CC(C)(C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 758924536 IDVDCABKBAITEC-UHFFFAOYSA-N 297.329 3.718 30 20 CHED C=CCC[C@@H](C)N[C@H]1COc2c(Cl)cccc21 680467522 PKXWRKIERNVEKS-MFKMUULPSA-N 251.757 3.718 30 20 CHED Clc1ccc2c(C=NO[C@@H]3CCCCO3)c[nH]c2c1 755820651 XMCHPUHZTFUKER-CQSZACIVSA-N 278.739 3.698 30 20 CHED CCCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1OC 858604723 NTYSHIFXCIYGPB-UONOGXRCSA-N 288.391 3.978 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)O[C@H](C)c2ccc(C#N)cc2)C1 759472507 IPRXLCMKQMMBBY-UMVBOHGHSA-N 271.360 3.989 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)/C=C/c2ccccc2C#N)C1 855930981 MULNGSKCWBAMNO-UWLACMPISA-N 282.387 3.609 30 20 CHED N#CCC1(CSCC[C@H]2CC2(Cl)Cl)CC1 853776379 PLIUREHJRXHFNH-VIFPVBQESA-N 264.221 3.997 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2c2ccc(F)c(F)c2)n1 755909811 UVNWVFRJWXGHTG-OAHLLOKOSA-N 285.297 3.573 30 20 CHED CC[C@@H]1CCCC1=NNCCCOc1ccccc1 758369615 HSQFRSWBSDRSDE-CQSZACIVSA-N 260.381 3.611 30 20 CHED CC(C)c1cccc(/C=C2/CCc3c(cnn3C)C2=O)c1 853003851 DHILKKLVGAOTAT-GDNBJRDFSA-N 280.371 3.756 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2CCC[C@@H]2C)cc1C#N 757876840 RGGZJJQZPACENL-FZMZJTMJSA-N 287.363 3.727 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N(C2CC2)[C@H](C)C#N)cc1C 855584670 VBHBATMGCKCTER-GTBONMDNSA-N 282.387 3.528 30 20 CHED C#CC[C@@H](NC(=O)N(C1CCCC1)C1CC1)c1ccccc1 757779557 XLHVJNBMCAJGQI-GOSISDBHSA-N 296.414 3.868 30 20 CHED C#CC[C@@H](NC(=O)c1cc(C)cc(C)c1)c1ccccc1 757580202 PVJAHBKKCIFZLC-GOSISDBHSA-N 277.367 3.798 30 20 CHED Clc1ccc([C@@H]2CCCC2=NNC2CCOCC2)cc1 757599627 SXGSLEXYLHNGPC-HNNXBMFYSA-N 292.810 3.732 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 934424256 BVFGTFGNOBDMMN-NVXWUHKLSA-N 299.414 3.853 30 20 CHED CCCCOc1ccc(C=NO[C@H]2CCCCO2)cc1 755822748 UKPNZRGOZFFPKP-INIZCTEOSA-N 277.364 3.743 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC(F)(F)C1 935830722 XTDYAQPDLTYGRK-VXGBXAGGSA-N 259.340 3.530 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 757013431 RAGFEFADLXWJMB-LLVKDONJSA-N 286.350 3.538 30 20 CHED CCCCCCCNC(=O)c1ccccc1C(C)=O 862358599 OPONQXMAIYABQL-UHFFFAOYSA-N 261.365 3.589 30 20 CHED CC(C)CN(Cc1ccccn1)Cc1ccc(C#N)s1 932448813 WPHATIPEQANAOU-UHFFFAOYSA-N 285.416 3.673 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCO[C@@H](C(C)C)C1 935971195 LFCCRMFUWIHKJV-JKSUJKDBSA-N 281.440 3.690 30 20 CHED CC#CCCCC(=O)OCc1ccc(C(F)(F)F)cc1 767673280 XSOZEUKNDRUPAS-UHFFFAOYSA-N 284.277 3.942 30 20 CHED N#C[C@@H](C(=O)CC(C1CCC1)C1CCC1)c1ccccn1 860469100 XEZNZEPQDJIZCD-MRXNPFEDSA-N 282.387 3.864 30 20 CHED COCCC(=NNc1cc(C)ccc1C)C1CCOCC1 764896971 SNFBUYKXEVTZJL-UHFFFAOYSA-N 290.407 3.534 30 20 CHED Fc1ccc(CC=NO[C@H]2CCCCO2)c(Cl)c1 766452222 CFGHODTVIVWHOW-ZDUSSCGKSA-N 271.719 3.551 30 20 CHED C[C@H](c1ccccn1)N(C)CCCCC1(C#N)CCC1 930120016 UKNKCXFAEUUXNW-OAHLLOKOSA-N 271.408 3.939 30 20 CHED C/C=C/C=C\C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 763179789 HHLHGFLQVOPVTE-ZPYFUIHZSA-N 298.430 3.830 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCOC2(CCC2)C1 768397005 MGMIPQZDFLJZQM-OAHLLOKOSA-N 281.440 3.955 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 767253717 VCWSOWZJXFMACW-AWEZNQCLSA-N 295.357 3.895 30 20 CHED FC(F)Oc1ccc(NN=CCCC2CCOCC2)cc1 764912416 SOQYRCIXVBQUFZ-UHFFFAOYSA-N 298.333 3.893 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(Cl)c(F)c1)OCC 761911123 BQGYQSLPWJIHRG-ZDUSSCGKSA-N 286.730 3.756 30 20 CHED CCCC1(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CC1 760589395 SNSCTODYHQYVHY-LBPRGKRZSA-N 257.333 3.743 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ncnc2sccc12 766000858 AABFBJHDKNUQIW-VIFPVBQESA-N 274.393 3.915 30 20 CHED Clc1ccc(NN=Cc2cnc(C3CCC3)s2)cn1 760260021 JWDCOKRSTIUPFI-UHFFFAOYSA-N 292.795 3.905 30 20 CHED Cc1ccc(-c2cncc(C(=O)OC3(C#N)CCC3)c2)cc1 762094381 MBVOALAVHYLYDL-UHFFFAOYSA-N 292.338 3.660 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1[C@@H]2CCCO[C@@H]2C1(C)C 773124812 LMWGEWRMXGFZDX-YDHLFZDLSA-N 278.440 3.736 30 20 CHED CCCC[C@H](NC(=O)Cc1ccccc1CC#N)C1CCC1 777408619 AYYCJCIBSPSDIE-SFHVURJKSA-N 298.430 3.770 30 20 CHED CC(=NNC[C@@H](C)C#N)c1cc(Cl)sc1Cl 771095477 AUONNFWDBQTCBG-LURJTMIESA-N 276.192 3.528 30 20 CHED CCCCCCCOC(=O)/C=C/c1scnc1C 777093699 ZIWIUFUAFGCAQS-CMDGGOBGSA-N 267.394 3.978 30 20 CHED CC[C@H]1CC(=NN[C@@H](Cc2ccccc2)C(C)C)CCO1 777448512 PUXRDWMEXGJZRP-ROUUACIJSA-N 288.435 3.788 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@]1(C)CCCO 776167543 BJCSHQZKYSTBNB-KRWDZBQOSA-N 298.471 3.684 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 879124504 VKPNLAGJLSDPMN-GDBMZVCRSA-N 287.403 3.577 30 20 CHED Cc1nc([C@@H](C)NCc2cc(C#N)ccc2F)c(C)s1 773030850 VVCICAHXVAHMHJ-SECBINFHSA-N 289.379 3.622 30 20 CHED C=CCCCC[C@H](C)NCc1cccc2c1OCCO2 773431666 RMIGNOIVMXAJFP-AWEZNQCLSA-N 275.392 3.682 30 20 CHED C[C@@H](C#N)CNN=C(CCc1ccccc1)c1ccccc1 771098726 MBLIBGKOUNUAGD-INIZCTEOSA-N 291.398 3.773 30 20 CHED CCCCCCCN[C@@H](CC(=O)N(C)C)c1ccccc1 775219558 XCGJZBJXSRNBHG-KRWDZBQOSA-N 290.451 3.766 30 20 CHED CCOc1ccc(C=NOC2CCCC2)cc1OCC 774609278 WEMFJNVJNVPYEN-UHFFFAOYSA-N 277.364 3.777 30 20 CHED CCCCCCCN1CCC[C@H](c2nccn2C)C1 770018483 LVRDSGUPHJEQJS-HNNXBMFYSA-N 263.429 3.570 30 20 CHED C[C@@H]1CCc2nc(C=NOC3CCCC3)sc2C1 1117742350 QYZWUFCKPXEZBE-SNVBAGLBSA-N 264.394 3.561 30 20 CHED CC(C)CNN=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] 771566150 FBSZUMYACSBMLB-CYBMUJFWSA-N 289.379 3.539 30 20 CHED Cc1noc(C(F)F)c1C(=O)O[C@@H](C#N)C1CCCCC1 776391630 QBUWHDYGGYJEFC-JTQLQIEISA-N 298.289 3.550 30 20 CHED CC(C)Oc1ccccc1C=NNc1nccnc1C(C)C 773094272 QDPSYHZJZKCLKA-UHFFFAOYSA-N 298.390 3.833 30 20 CHED CCC1CCC(CNC(=O)Cc2ccccc2CC#N)CC1 776842679 CGPXBJNDGZOUOP-UHFFFAOYSA-N 298.430 3.628 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)c(O)cc1Cl 885679812 HJYNWNKYVXQSQW-UHFFFAOYSA-N 271.719 3.726 30 20 CHED C=C1CCC(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 887868234 FSCNUJRAPHKSRS-UHFFFAOYSA-N 298.386 3.720 30 20 CHED C=C(CC)CONC(=N)c1ccc(Oc2ccccc2)nc1 773178236 VUJGCZZOHCZPGM-UHFFFAOYSA-N 297.358 3.687 30 20 CHED Fc1ccc(/C=C/C=NN[C@H]2C[C@H]3CC[C@H]2C3)cc1 774598227 WYZWKAMHLMDHCS-BQZYKOBISA-N 258.340 3.603 30 20 CHED C=C(CC)COC(=O)[C@@H](C)Sc1ccc(OC)cc1 773496991 XMDBCMIBCKNSTR-GFCCVEGCSA-N 280.389 3.685 30 20 CHED CC(F)(F)c1ccccc1NC(=O)c1cc(C#N)cs1 1129114374 DARSRQRSXKDWTA-UHFFFAOYSA-N 292.310 3.984 30 20 CHED CS/C=C\C(=O)Nc1cc(C(C)(C)C)sc1C#N 774162224 FMVYYCPETRSFMD-WAYWQWQTSA-N 280.418 3.732 30 20 CHED CCC(=NOCc1cccnc1)c1cccc(F)c1 783522688 XWNFTMOGAKNODZ-UHFFFAOYSA-N 258.296 3.552 30 20 CHED CN(CCCF)C(=O)Nc1scc(C(C)(C)C)c1C#N 888226863 CUJROEVGGDWPLM-UHFFFAOYSA-N 297.399 3.741 30 20 CHED CCCCCC[C@](C)(CC)C(=O)NCCCC#N 784134420 MVGTXRMJFFCRAH-HNNXBMFYSA-N 252.402 3.793 30 20 CHED CC(C)CC(=NOC[C@@H]1CCOC1)c1cccs1 788032113 NHXUEEVZHOJGPG-GFCCVEGCSA-N 267.394 3.551 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCCC2CCC2)n1 1168888422 AMVQIDLSRZWSIR-UHFFFAOYSA-N 257.381 3.853 30 20 CHED CCN(C(=O)c1ccsc1C)c1ccc(C#N)cc1 1126352612 CKLAJKGVFSRFBT-UHFFFAOYSA-N 270.357 3.595 30 20 CHED N#Cc1ccc(NN=Cc2ccc(Cl)cc2F)cc1 783513452 CXVIKIDUUAYYBZ-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1csc(CCC)n1 785752886 HVIFIWUGLVADRN-AWEZNQCLSA-N 267.394 3.741 30 20 CHED C=C1CC(c2noc([C@@H]3CCO[C@H](CCC)C3)n2)C1 896883909 MQGKKOZUEJRXBB-DGCLKSJQSA-N 262.353 3.566 30 20 CHED CC(=O)Nc1ccc(NCc2ccc(C#N)cc2F)cc1C 897304771 KACUZXWZDCMMQL-UHFFFAOYSA-N 297.333 3.576 30 20 CHED CC(=NOC[C@H]1CCOC1)c1ccc(-c2ccncc2)cc1 788032524 ACYHBEBBMWSHOM-HNNXBMFYSA-N 296.370 3.526 30 20 CHED C=CCCCCC[C@@H](C)Nc1ccc(CNC(N)=O)cc1 793586617 JRDLEICNTLRRDM-CQSZACIVSA-N 289.423 3.792 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@](C)(c2ccccc2)C1 791066226 GTGVPGFFZJJNBV-PKOBYXMFSA-N 298.430 3.552 30 20 CHED COc1cc(C#N)ccc1CSC/C(C)=C/Cl 797808982 VQESJNXPBOPDGQ-UXBLZVDNSA-N 267.781 3.943 30 20 CHED C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)[C@H](C)[C@@H]1C 1307146854 JWOFXPPJNSTMPH-JHJVBQTASA-N 271.408 3.731 30 20 CHED Cc1ccc(OC(F)F)c(COC(=O)CC(C)(C)C#N)c1 795547442 VUXKURTWIWTFGX-UHFFFAOYSA-N 297.301 3.580 30 20 CHED Fc1cccnc1NN=CC1CCC(C(F)(F)F)CC1 794989563 IWUVKCXJGDHPEQ-UHFFFAOYSA-N 289.276 3.987 30 20 CHED COCCN(C)N=C1CCC[C@H]1c1ccccc1Cl 794968463 PTFRHGWBZOWIQI-ZDUSSCGKSA-N 280.799 3.542 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(Cl)nc1Cl 794716102 XOHJTPWCNWXCIM-UPHRSURJSA-N 276.126 3.825 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@]1(C)CCCC[C@@H]1C 1215556508 OOOHCGFVLKPALC-SUMWQHHRSA-N 285.391 3.957 30 20 CHED CCCC1(CNC(=O)Nc2cc(F)cc(C#N)c2)CCC1 1219799176 HUNSIVIGFOOPNK-UHFFFAOYSA-N 289.354 3.789 30 20 CHED N#Cc1ccc(NCc2cccc(Cl)c2)c(F)c1 50165701 SQAIHEKWSFEVAW-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2c2cccc(Cl)c2)n1 1232926638 XQRJRPLYBHSERB-KRWDZBQOSA-N 297.789 3.944 30 20 CHED Cc1ccc(CN(c2ccnc(C#N)c2)C2CC2)cc1C 1162597574 IZWZCNQXFJLYBI-UHFFFAOYSA-N 277.371 3.739 30 20 CHED Cc1occc1CN(C)c1ccc(C#N)c(Cl)c1 61850976 DMAAZFQHWDHSRV-UHFFFAOYSA-N 260.724 3.750 30 20 CHED Cc1ccc(C#N)c(NCc2cccc(C(C)C)c2)n1 547792378 CFOOZAZAQQAOFN-UHFFFAOYSA-N 265.360 3.997 30 20 CHED C[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 83399117 MWPAGPCEXYSMBK-LBPRGKRZSA-N 254.308 3.548 30 20 CHED C=CC[C@H](CC)NC1CCN(Cc2ccccc2)CC1 281597099 LYZPFKCODWCBMK-KRWDZBQOSA-N 272.436 3.595 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)c1nnc2n1CCC2 59487397 DUMSUHRZROQMER-KBPBESRZSA-N 278.444 3.624 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@H](C#N)C2CCCCC2)CC1 592614505 KFMDCYIYOBHFRN-HZPDHXFCSA-N 274.408 3.712 30 20 CHED C=CCn1cnnc1S[C@H](C)c1ccc2c(c1)CCC2 1325213358 DKNHPVVVAUJUEH-GFCCVEGCSA-N 285.416 3.806 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(NC(=O)CC)cc1 1336668738 RDTWXSINSIZJSC-GFCCVEGCSA-N 274.364 3.576 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(-c2cnco2)c1 1335408684 XDQQFFSLQXGQIR-GFCCVEGCSA-N 270.332 3.882 30 20 CHED CC[C@@H]1C[C@H]1COc1cc(Br)ccc1C#N 723135971 RXUHTCZPNOAIHN-KOLCDFICSA-N 280.165 3.746 30 20 CHED CCc1csc([C@@H](C)Nc2c(C#N)cccc2C#N)n1 1335508109 XBTZSRCCBCTAAL-SNVBAGLBSA-N 282.372 3.622 30 20 CHED C=C(CC)CN1CCCCC[C@@H]1C[C@H](O)c1ccco1 773428654 LYXVPLAKJZFUNY-CVEARBPZSA-N 277.408 3.914 30 20 CHED COc1cccc2c1CCN(CCCCC1(C#N)CCC1)C2 1335743771 AJMYMYXHSWQEFL-UHFFFAOYSA-N 298.430 3.917 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCc1c[nH]c2cc(C)ccc12 1339068696 VBTFPDMFTOGPMF-OAHLLOKOSA-N 297.402 3.560 30 20 CHED C=CCCO[C@H](C)c1nnc(-c2cc(C)cs2)o1 1261844471 PMKIITOOLCSIIP-SNVBAGLBSA-N 264.350 3.760 30 20 CHED CCCC(=CC(=O)[C@H](C#N)c1ncc(Cl)n1C)CCC 1344864558 SRMFNAOWJURERF-LBPRGKRZSA-N 293.798 3.776 30 20 CHED Cn1ccc2c(NC(=O)CC#Cc3ccccc3)cccc21 1340374567 BGWAVUHIYDROGC-UHFFFAOYSA-N 288.350 3.559 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cncc(Cl)c1 1347771599 LEMSWAPKYFMPHM-CYBMUJFWSA-N 279.771 3.698 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)c1cccc(Cl)c1 1349905943 GYXYEXZLVBOOEE-FZMZJTMJSA-N 278.783 3.594 30 20 CHED N#CCc1cccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 1449729820 WEDIUSVHGFMSFS-UHFFFAOYSA-N 293.301 3.625 30 20 CHED O=C(O)c1ccc(Cl)c(/C=C\C(=O)c2ccsc2)c1 1602358816 NCPHPERENRQOQJ-RQOWECAXSA-N 292.743 3.996 30 20 CHED Cc1ccc(C(=O)NCC[C@H]2CCCC[C@H]2C)cc1C#N 1538127833 NZKUJUNPSUGQJR-UKRRQHHQSA-N 284.403 3.813 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(-c2ccncc2)ccc1C 1606679081 SCRVVXQCRCTYGN-ZDUSSCGKSA-N 279.343 3.545 30 20 CHED CC(C)CC[C@@H](NC(=O)N1CCC[C@H](C#N)C1)C(C)(C)C 1477912277 HBQZWUKKYWIZOA-HUUCEWRRSA-N 293.455 3.782 30 20 CHED CCCCC1CCC(CNc2ccc(C#N)nn2)CC1 1472667833 CICHMRZPYZSTGX-UHFFFAOYSA-N 272.396 3.757 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N(CCC#N)C(C)C 1542478317 VKSDECUKRPBFNR-KRWDZBQOSA-N 286.419 3.714 30 20 CHED N#Cc1ccc(COc2ccc(F)c3cccnc23)c(F)c1 1473055330 XMOBAWGTPYMYOT-UHFFFAOYSA-N 296.276 3.964 30 20 CHED N#Cc1cc(Cl)ccc1CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 1473509929 QXDVHRDVUNNUEZ-SYWGBEHUSA-N 286.806 3.690 30 20 CHED CCc1ccc2c(c1)[C@H](NC[C@H](C)CCC#N)CCO2 1560736024 KAVDCDQWOQKGTJ-CZUORRHYSA-N 272.392 3.602 30 20 CHED N#Cc1cncc(NCC2(c3cccs3)CCCCC2)n1 1651554515 ZJWYHGXKBUUNMK-UHFFFAOYSA-N 298.415 3.724 30 20 CHED Cc1ccccc1CCC(=O)Nc1cc(C#N)ccc1F 1583534404 KRZSGQUGMLZGSZ-UHFFFAOYSA-N 282.318 3.577 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 1583671800 PYGDHJPXRJCMJA-JKSUJKDBSA-N 284.403 3.811 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)c1csc(C#N)c1 1585834435 CIWVVPXIYZSDOM-UHFFFAOYSA-N 290.775 3.512 30 20 CHED CC[C@@H](C)[C@H](Sc1ccc(Cl)cc1C#N)C(=O)O 1594928310 GIXAXCLRIHXGPV-PELKAZGASA-N 283.780 3.803 30 20 CHED CCN(C(=O)Nc1ccc(C#N)cc1)c1cccc(OC)c1 1672412193 JPANCEJYAOYQDU-UHFFFAOYSA-N 295.342 3.625 30 20 CHED CSc1ccc(C)c(NC(=O)Nc2ccc(C#N)cn2)c1 1673895371 IIKWKDVNZVZKMK-UHFFFAOYSA-N 298.371 3.628 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@H]1C[C@H]2C=C[C@H]1CC2 1776013095 HNWLWXDOAMVPOC-HEHGZKQESA-N 284.359 3.775 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC[C@@H]2CCC[C@H](C)C2)C1 1776153267 ZBRIXLGKHQGTAO-BQFCYCMXSA-N 293.451 3.946 30 20 CHED CC(=NNc1ccccc1C(=O)O)C1C(C)(C)C1(C)C 1776030259 BRUILOJNYOYIGR-UHFFFAOYSA-N 274.364 3.855 30 20 CHED CCCCCC[C@](C)(NCc1cc(C#N)cs1)C(=O)O 1776780613 UBNSJOLNKXNLNI-HNNXBMFYSA-N 294.420 3.523 30 20 CHED Oc1cccc(/C=N/Cc2ccc(C(F)(F)F)cc2)c1O 16703032 SDYNJOHMCKQOBS-DJKKODMXSA-N 295.260 3.736 30 20 CHED CCN(CC)CCC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 19914943 DHTJGZHEAHXZCR-HOTGVXAUSA-N 287.451 3.719 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 161629162 FWUKMWVIYLIQPI-SJLPKXTDSA-N 284.403 3.731 30 20 CHED N#Cc1ccc(Cl)cc1N[C@@H]1CCO[C@H](C2CC2)C1 160349805 OGKRTDVPASYXIS-HIFRSBDPSA-N 276.767 3.581 30 20 CHED C=C(Br)CN[C@H]1CCC(C)(C)C[C@@H]1C 168203643 ZIXXIGMYXDCSEL-ONGXEEELSA-N 260.219 3.699 30 20 CHED CCc1ccc([C@@H](C)NCc2cccc(C#N)c2)o1 151398977 NIPBJUPSEOZADU-GFCCVEGCSA-N 254.333 3.564 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(Cl)cc1O 153548295 DUAMHABNHATBBN-UHFFFAOYSA-N 265.740 3.753 30 20 CHED CC#CCCN(C)Cc1ccccc1C(F)(F)F 155048638 GINSHZFCMGENBD-UHFFFAOYSA-N 255.283 3.551 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 156172649 FTOYSJIZIBNPEF-JTQLQIEISA-N 286.297 3.642 30 20 CHED CO[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 154047184 WCKXSEIHJHPRLJ-CHWSQXEVSA-N 284.281 3.556 30 20 CHED C=CCN[C@@H](C)C(c1ccccc1)c1ccccc1 19875913 GNPCXLCHWPNOEA-HNNXBMFYSA-N 251.373 3.983 30 20 CHED Cc1cc(CN2CCC[C@H]2CC(C)C)ccc1C#N 1663821189 DUOMENASUOCCLW-KRWDZBQOSA-N 256.393 3.877 30 20 CHED N#Cc1cc(Oc2ccc(F)c(C(F)(F)F)c2)ccn1 226459147 CSQAMRSSULMOKU-UHFFFAOYSA-N 282.196 3.903 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1F 229593151 PNCRDTCPQYTCHQ-SWLSCSKDSA-N 260.356 3.756 30 20 CHED CCCCCCCC(=O)Nc1ccc(C#N)cc1OC 130164002 UUVRQIGXDKCNIZ-UHFFFAOYSA-N 274.364 3.866 30 20 CHED C#CCCCCNC(=O)[C@@H](c1ccccc1)[C@H](C)CC 156165635 SNWQKVADCFNJMH-NVXWUHKLSA-N 271.404 3.736 30 20 CHED N#Cc1ccc(F)cc1CN(Cc1cccs1)C1CC1 158400695 APALOURKRBXLQX-UHFFFAOYSA-N 286.375 3.923 30 20 CHED N#Cc1ccc(Cl)cc1NCc1noc2c1CCCC2 288367347 YCDOXBVCLGAGFF-UHFFFAOYSA-N 287.750 3.691 30 20 CHED N#CC1CCN(Cc2csc(-c3ccccc3)n2)CC1 57906992 IXDAHUJJMZOTNP-UHFFFAOYSA-N 283.400 3.546 30 20 CHED N#Cc1c(F)cccc1NCCc1c(F)cccc1F 301104556 SAENNLSZWFABHC-UHFFFAOYSA-N 276.261 3.630 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2c(F)cccc2Cl)c1 308210745 WGXIZLXKTHUFPH-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1cc2c(s1)CCCCCC2 408244834 QNJOOUNMBRHLPT-ZDUSSCGKSA-N 290.432 3.685 30 20 CHED CC[C@H]1CCC[C@H](NCc2cc(C#N)ccc2F)C1 85065287 JNTHLLBEGTXBJQ-WFASDCNBSA-N 260.356 3.756 30 20 CHED C=CCN(Cc1ccccc1)Cc1nc2c(s1)CCC2 678815715 LSAOJVOLYGIUTR-UHFFFAOYSA-N 284.428 3.820 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC2(F)F)c(F)c1 381523407 NHCJUCKWMGVCHH-SNVBAGLBSA-N 254.255 3.545 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccccc1 20126448 QSKFMELCYNKPCQ-CYBMUJFWSA-N 252.317 3.762 30 20 CHED COc1cccc(C(=O)/C=C\c2ccccc2OC)c1 33410935 DQJBLWSYKKCCLS-KHPPLWFESA-N 268.312 3.600 30 20 CHED Cc1cc(F)ccc1NC(=O)Nc1ccc(C#N)cc1 45027194 YSXCKAXZXGWHPV-UHFFFAOYSA-N 269.279 3.650 30 20 CHED C=CCN(CC=C)Cc1coc(-c2ccc(C)cc2)n1 45914488 HNNKUCBBQXSIKX-UHFFFAOYSA-N 268.360 3.824 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CCCc2ccccc2)n1 48520415 IBPFQVRJCCGFMQ-AWEZNQCLSA-N 284.384 3.651 30 20 CHED Cc1ccc(CN(Cc2cc(C#N)ccc2F)C2CC2)o1 51966107 OENMDMQADCZCOB-UHFFFAOYSA-N 284.334 3.763 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(-n2cccc2)c1 52819320 QXUVONWXQUOJSA-UHFFFAOYSA-N 268.360 3.516 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)Cc1ccsc1 58453444 LDXBYSBVOVCOGK-UHFFFAOYSA-N 285.372 3.592 30 20 CHED C=C(Br)COC(=O)c1cc(Cl)ccc1F 60929122 RBGLBFRJEDAMRQ-UHFFFAOYSA-N 293.519 3.545 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccnc(Cl)c1 63436790 AEHNLNYWXAOTOJ-UHFFFAOYSA-N 288.734 3.584 30 20 CHED Cc1ccc(C#N)cc1NCc1nc(-c2cccs2)no1 63889658 BDJUQHRQKRVVCZ-UHFFFAOYSA-N 296.355 3.590 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)CC1 71202736 NYYXIJQZVJLFBM-MRXNPFEDSA-N 284.403 3.847 30 20 CHED CCCCCC[C@@H](C)/C(O)=N/S(=O)(=O)c1ccccc1 76755600 KRKQSTRCTGKADJ-CYBMUJFWSA-N 297.420 3.938 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C1 77672610 DZGYVMBGKWJFHF-XJKSGUPXSA-N 285.391 3.843 30 20 CHED N#CCCCOc1cccc(NCc2cccc(C#N)c2)c1 79724239 PGCIRKRFCKDKSQ-UHFFFAOYSA-N 291.354 3.853 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1 79826962 UDTTXLGSXMISCE-ZDUSSCGKSA-N 279.343 3.607 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 80592256 JWLJQTFUIGIVII-DDTOSNHZSA-N 278.783 3.522 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccccc1SC(C)C 92004919 WUDJDFKJADNTSA-LBPRGKRZSA-N 276.405 3.609 30 20 CHED N#Cc1ccc2nc(NCc3cccc(F)c3)ccc2c1 92890486 WSEJKDTWNAPSQL-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C[C@@H](N[C@H]1CCCC1(C)C)c1ccc(OCC#N)cc1 94322414 LCRMEHNSLNORMG-CJNGLKHVSA-N 272.392 3.818 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 104416647 GNTMYBSAHLZYMH-PXAZEXFGSA-N 292.338 3.945 30 20 CHED N#Cc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1 117564035 MUDZLSJAIZOORP-UHFFFAOYSA-N 280.258 3.696 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)c1cccc(F)c1 118585657 YYZMKYWWKXYWQQ-UHFFFAOYSA-N 292.398 3.711 30 20 CHED C=CCN(Cc1cccs1)Cc1cnc2c(C)cccn12 119938659 NVBFDTDGVZWTJI-UHFFFAOYSA-N 297.427 3.892 30 20 CHED Cc1cc(NCc2cccc(C#N)c2)ccc1N(C)C 120158774 UCGFPMVASKAWPJ-UHFFFAOYSA-N 265.360 3.545 30 20 CHED C=CCC[C@@H](NCc1c(CC)noc1CC)C1CC1 121611885 IEXNOTJRBGZBEF-OAHLLOKOSA-N 262.397 3.634 30 20 CHED CCc1nnc(Oc2ccc(F)c(F)c2)c(C#N)c1CC 125034260 XSMUQFJVTYQWPM-UHFFFAOYSA-N 289.285 3.544 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)c(OC)cc1F 125562058 ACKZWCADCXUNCX-UHFFFAOYSA-N 281.302 3.680 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2ccc(F)c(C#N)c2)c1 127292758 PCQKHSWWKZPETD-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CC)c1ccc(Cl)cc1 128422802 NODFSCMLZVURLD-MFKMUULPSA-N 266.772 3.665 30 20 CHED C[C@H]1CCN(CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 135395687 VTAXRPMCFCPYER-GWCFXTLKSA-N 268.282 3.612 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 136199882 FDARUSHECKIXLE-GFCCVEGCSA-N 288.244 3.723 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCc2c(OC)cccc21 153612187 FJHBSAIVVVFQJE-MRXNPFEDSA-N 285.387 3.567 30 20 CHED CC[C@H](/N=C/c1cc(OC)ccc1O)c1c(C)noc1C 154802076 SOMSDWGDHFLVQD-VEJKBTLKSA-N 288.347 3.576 30 20 CHED CC#CCCSc1nnc(-c2ccco2)n1CC(C)C 155037127 FKMXUUFTLDWRSX-UHFFFAOYSA-N 289.404 3.700 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 155121886 RMFWNOWLDUJBTI-NILFDRSVSA-N 292.810 3.865 30 20 CHED CC#CCCN1CC[C@@H](CSc2ccccc2)C1 155826229 ISISFJXECBMFRH-OAHLLOKOSA-N 259.418 3.514 30 20 CHED C#CCCCCNC(=O)c1sccc1-c1ccccc1 156423894 CCBKEENYPBKFCA-UHFFFAOYSA-N 283.396 3.948 30 20 CHED C=C(C)CN1CCC(Oc2ccccc2Cl)CC1 157299398 RIZASYMQHPNYCA-UHFFFAOYSA-N 265.784 3.759 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@@](C)(C#N)CC)cc1 157932127 GKIJJXWRWKQGQE-SUMWQHHRSA-N 272.392 3.551 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@]2(CCNC2)C1 158920413 HGZIKFOLIKVMCE-SFHVURJKSA-N 294.483 3.729 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(F)c(Cl)c2)c1 159978110 HGDJBHVICDWUNV-UHFFFAOYSA-N 287.721 3.737 30 20 CHED CCc1ccc(NC(=O)[C@@H](C#N)c2nc(C)c(C)s2)cc1 160158977 QVMFRENIQUCBIP-CQSZACIVSA-N 299.399 3.568 30 20 CHED C=C(C)CNCc1ccc(Cl)c(Br)c1 160316518 ZHDNQHAIRHFSPB-UHFFFAOYSA-N 274.589 3.768 30 20 CHED CO[C@@H](C)c1nc(CSCCCCC#N)cs1 161908885 BHUDMFPWOXIBSN-JTQLQIEISA-N 270.423 3.778 30 20 CHED N#Cc1ccc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 171216264 XINWUPZWJYPPEP-ROUUACIJSA-N 278.355 3.890 30 20 CHED N#CCc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 175315725 IXJABBMTFODVES-GOEBONIOSA-N 283.375 3.549 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CC12CCCCC2 179406361 VGBQUNKTXUHMQV-HNNXBMFYSA-N 283.375 3.711 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccnc1C(F)(F)F 179791688 CPIGGTITNSZJFL-SNVBAGLBSA-N 286.297 3.575 30 20 CHED COc1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c2ccccc12 179880159 LHKCZYNBZPJIJH-CHWSQXEVSA-N 295.338 3.697 30 20 CHED CC(C)CCN(C)Cc1cccc(OCCCC#N)c1 180046861 HFKSOJFGZCJFJZ-UHFFFAOYSA-N 274.408 3.847 30 20 CHED C[C@@H](CC#N)N(C)CCCc1ccccc1Br 182003378 HOURECZWVQWFLH-LBPRGKRZSA-N 295.224 3.616 30 20 CHED Cc1cccc(CNc2ccccc2O[C@H](C)C#N)c1 182544087 KOHGTQWWUARFRF-CQSZACIVSA-N 266.344 3.898 30 20 CHED CC[C@H](CC#N)NC(=O)CCCCc1ccc(C)cc1 183910248 QWNPAPGIGWJRBK-MRXNPFEDSA-N 272.392 3.516 30 20 CHED CC[C@H](CC#N)NCc1ccc(Oc2cccnc2)c(C)c1 184087849 CNNDLBJEQLGYKE-MRXNPFEDSA-N 295.386 3.964 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1cc2ccccc2s1 184383355 SJPFXKWXJJMVRP-TZMCWYRMSA-N 275.417 3.879 30 20 CHED Cc1cncc(C(=O)/C=C/c2cc(F)ccc2F)c1 184764827 NYPPIBITCARJPD-GORDUTHDSA-N 259.255 3.564 30 20 CHED C=C(C)[C@H](NC(=O)CC[C@H](C)OC)c1ccc(F)c(F)c1 186040987 ZIECWFIUYAVIAN-ZBEGNZNMSA-N 297.345 3.513 30 20 CHED COc1ccc(NCc2ccc(C#N)o2)cc1OC(C)C 186282357 GYYLZDMAHZXBLY-UHFFFAOYSA-N 286.331 3.559 30 20 CHED C=CC1CCN(C(=O)C2(Cc3ccccc3F)CC2)CC1 188379951 MMGJHKQPZFVYRX-UHFFFAOYSA-N 287.378 3.573 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 188434143 LOFBMENBKJYKMN-YJBOKZPZSA-N 289.394 3.819 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CC1 190970455 HDBRMHGUZBCMKW-PBHICJAKSA-N 299.418 3.668 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cccc(OC)c2)no1 191174272 ZUUYYWYXAZJZOZ-OAHLLOKOSA-N 258.321 3.599 30 20 CHED C[C@H]1CC[C@@H](CSc2ccc(C#N)cc2Cl)O1 191189255 ZTXVIWHITBPUNK-ONGXEEELSA-N 267.781 3.871 30 20 CHED CCCCCCCCC(=O)NC1CCN(C(C)C)CC1 192568620 VTUAJIQRXBIKTM-UHFFFAOYSA-N 282.472 3.726 30 20 CHED Cn1nccc1C(=O)/C=C/c1csc2ccccc12 193059316 UVXRVMSNCDPCDT-VOTSOKGWSA-N 268.341 3.531 30 20 CHED N#Cc1ccc(COc2c(F)c(F)cc(F)c2F)c(F)c1 193291599 ATHNAKQGHGLPDX-UHFFFAOYSA-N 299.198 3.833 30 20 CHED COCc1ccccc1NCc1cn2ccccc2c1C#N 193423848 KRNLLWJVAUBIRM-UHFFFAOYSA-N 291.354 3.569 30 20 CHED CN(C(=O)Cc1ccc(C#N)cc1)C1CCCCCCC1 194764343 NKQLGQQWCYRHDL-UHFFFAOYSA-N 284.403 3.672 30 20 CHED CCc1ccccc1NC=C1C(=O)CC(CC)CC1=O 194959911 ZRTMXEZAKSSTAJ-UHFFFAOYSA-N 271.360 3.503 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(NC(C)=O)cc2)c1 213896335 BYXAXWGGKIIRQX-FLIBITNWSA-N 295.338 3.550 30 20 CHED Cc1ccc(F)cc1-c1noc(-c2ccc(C#N)s2)n1 230996870 CPZBPBVRSSKAOT-UHFFFAOYSA-N 285.303 3.784 30 20 CHED CCCCCCCCCCC(=O)NC1CCC(N)CC1 236632818 OKHQDYPLXSTWJG-UHFFFAOYSA-N 282.472 3.903 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C\c1cccc(F)c1 255887421 ABFVZWCALSUEAZ-HJWRWDBZSA-N 280.302 3.658 30 20 CHED Cc1ccc2cc(C(=O)N(CCC#N)CCC(C)C)[nH]c2c1 264029038 KANPWPJQEPRSJH-UHFFFAOYSA-N 297.402 3.878 30 20 CHED CN(C(=O)[C@@H]1CCCc2ccccc21)c1ccccc1C#N 268718862 HLXKPVYLMLIOFB-QGZVFWFLSA-N 290.366 3.641 30 20 CHED C=CCCCC(=O)Nc1ccc(F)cc1NC1CC1 269152028 OWBJIKZZWMDFBV-UHFFFAOYSA-N 262.328 3.695 30 20 CHED Cc1ccoc1CN(Cc1ccc(C#N)cc1)C1CC1 271040486 IGXOGEGNDFMYJG-UHFFFAOYSA-N 266.344 3.624 30 20 CHED C=CCN(C(=O)Nc1cccc(-c2nccs2)c1)C1CC1 271503605 JJYQITJCIKTUGW-UHFFFAOYSA-N 299.399 3.992 30 20 CHED Cc1csc([C@@H](C)CNc2ccc(Cl)c(C#N)n2)n1 273335394 RRCOWNUBHHIPSB-QMMMGPOBSA-N 292.795 3.587 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc(Cl)cc(Cl)c1 278289173 QPPBNDLVJMQLGJ-UHFFFAOYSA-N 271.147 3.872 30 20 CHED C=CCCCC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 280557399 ADQSHUCLNJBLBP-JOCQHMNTSA-N 261.340 3.544 30 20 CHED C=CCCN(C)C(=O)CC1CC(c2ccccc2)C1 282317693 SUFPXRODIUALGL-UHFFFAOYSA-N 257.377 3.605 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 285088672 IBYOENIUTWYQQS-DYVFJYSZSA-N 288.391 3.591 30 20 CHED C=C[C@@H](CC(=O)N1CCCc2occc2C1)c1ccccc1 289077363 BSWJQWYPEVUBQR-HNNXBMFYSA-N 295.382 3.914 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ncsc1C(C)C 289939609 SQESEPPYEDNUKK-SNVBAGLBSA-N 267.398 3.743 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccc(C)s2)cc1 290257648 UUEXZRNALAWDCZ-AWEZNQCLSA-N 284.384 3.614 30 20 CHED N#CCCCC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 291625835 FWNINQRAFGKGFP-SJORKVTESA-N 284.403 3.598 30 20 CHED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCCC#N 291779947 WSQLCXIVTYRIHI-SNVBAGLBSA-N 299.201 3.734 30 20 CHED N#C[C@H]1CC[C@@H](N2CCc3c(Cl)cc(F)cc3C2)C1 295763020 RTYYHMIANWWXKU-GXFFZTMASA-N 278.758 3.529 30 20 CHED C=CC(C)(C)c1nc(-c2ccnc(C(F)(F)F)c2)no1 296613532 YQGGLKJQCTYSMG-UHFFFAOYSA-N 283.253 3.614 30 20 CHED CCCCCCCCCNC(=O)Nc1c(C)nn(C)c1C 298794857 YBRKSGQQPFGGHE-UHFFFAOYSA-N 294.443 3.909 30 20 CHED CCCO[C@H]1CCCN(c2c(Cl)cccc2C#N)CC1 301393762 JSANPZBYZFYNIW-AWEZNQCLSA-N 292.810 3.997 30 20 CHED N#Cc1ccc(NCC2(c3cccc(Cl)c3)CC2)cn1 301584855 VSONYLTWVDTOGI-UHFFFAOYSA-N 283.762 3.750 30 20 CHED Cc1cc(C)cc(N/C(N)=N\C[C@H](C)c2ccccc2)c1 303788664 UMDNDIYZQWZHFE-HNNXBMFYSA-N 281.403 3.834 30 20 CHED Cc1ccc(C)c(C(=O)Nc2ccc(C#N)c(F)c2)c1 307959465 JEHRTZNZFBWDGV-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1cc(C#N)cc(N[C@@H](C)c2cccc(C#N)c2)c1 308156136 QVHHSJBPZQSCQQ-ZDUSSCGKSA-N 261.328 3.911 30 20 CHED CC(C)(C)c1csc(N/C(O)=N/[C@H]2CSC2(C)C)n1 328740264 LRLQHOLEUNPERC-VIFPVBQESA-N 299.465 3.661 30 20 CHED C[C@@H]1CC=CC[C@H]1/C(O)=N/[C@H]1CCC(O)=NC12CCC2 328874003 JGXDLDDPZCDZGM-UPJWGTAASA-N 276.380 3.587 30 20 CHED CC[C@@H]1C[C@H](/C(O)=N/CC[C@@H]2C[C@H]3CC[C@H]2C3)CC(O)=N1 329634237 XMHRZMFQGDDKQP-SBJFKYEJSA-N 292.423 3.914 30 20 CHED Cc1cc([C@H](C)N/C(O)=N/CC2CCSCC2)c(C)o1 330552765 DDWNJALMXHPCCM-NSHDSACASA-N 296.436 3.604 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)oc2C)cc(C)c1Cl 337889113 YATQUENYVQYTIR-UHFFFAOYSA-N 288.734 3.982 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccnc1 339294771 YFONEYIRCSANSC-UHFFFAOYSA-N 279.387 3.611 30 20 CHED N#CCN(C(=O)C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 341149389 BJMVUGLDUZDMLS-SJLPKXTDSA-N 290.366 3.737 30 20 CHED C=C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 342000906 ZSMUKBYVWOARNR-UHFFFAOYSA-N 272.323 3.633 30 20 CHED C=CCCC1(C(=O)NCc2ccc3[nH]c(C)cc3c2)CC1 344074878 XPYJCLQZWGASHX-UHFFFAOYSA-N 282.387 3.839 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCO[C@H]1c1ccnn1C(C)C 344262147 PEQRGZDQCPHGHU-YQQAZPJKSA-N 291.439 3.628 30 20 CHED Cc1cc(C)n(CCN(CC(C)C)c2ccc(C#N)cc2)n1 345068904 LMAXJFGTXFKERH-UHFFFAOYSA-N 296.418 3.534 30 20 CHED C=C(CNC(=O)c1cc([C@@H](C)CC)no1)c1ccccc1 345702255 AIAACQNXCLDXHC-LBPRGKRZSA-N 284.359 3.631 30 20 CHED N#Cc1cc(F)ccc1CN1CCCc2ccccc2C1 346204210 ZEPYJSDBIMPWQT-UHFFFAOYSA-N 280.346 3.646 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N(C1CCC1)C1CCC1 346740569 NOWIOYLLHVBHNB-MRXNPFEDSA-N 296.414 3.693 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccc(C#N)cc2)CC1 346884993 HMHVDDDLYBCYEZ-UHFFFAOYSA-N 284.403 3.991 30 20 CHED N#CCCCN(CCc1ccccc1)c1ccc(O)cc1 348541013 QDOUJJJHOMCIME-UHFFFAOYSA-N 280.371 3.745 30 20 CHED C=CCCCCNC(=O)N[C@H](c1nc(C)cs1)C1CC1 351681006 WIJWYTCDKFTJJR-ZDUSSCGKSA-N 293.436 3.558 30 20 CHED CCN(C)C(=O)Nc1ccccc1C#Cc1ccccc1 351711724 NBCFWCNEYIFQOE-UHFFFAOYSA-N 278.355 3.570 30 20 CHED CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(F)cc1 354796859 WAODLZZLCYGIQF-OAHLLOKOSA-N 296.345 3.876 30 20 CHED C=CCC[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccccc1 355260484 ORIIERKJPWKRPO-OIISXLGYSA-N 259.393 3.851 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@@H](C)CC(C)C 355655343 QRNDVNSGIWFSRK-LBPRGKRZSA-N 273.380 3.611 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCC[C@@H](SC)C2)CC1 356111419 DFCIGKPEXQWCBD-QWHCGFSZSA-N 267.438 3.523 30 20 CHED CC(C)n1cnnc1SCc1ccc(Cl)cc1C#N 358884039 NDVACIZVVFIDLP-UHFFFAOYSA-N 292.795 3.676 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCC(C)(C)C1 358978743 NGINDOQEVDNQFT-CQSZACIVSA-N 264.413 3.601 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCCC1(C)C 359115501 MRJQFJDCHOUXPJ-UHFFFAOYSA-N 274.412 3.501 30 20 CHED C=CCNc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C 362428773 CUPWZDIHEDACGW-ZIAGYGMSSA-N 286.419 3.711 30 20 CHED C=CC[C@H](C)[C@H](C)NC1CCC2(CCOCC2)CC1 371448637 SBXQAKQPRXZCHK-GJZGRUSLSA-N 265.441 3.916 30 20 CHED C=C(Br)CNCc1cc(C)cc(Cl)c1 382155209 QZMCYIBYNLFQNM-UHFFFAOYSA-N 274.589 3.647 30 20 CHED CCCCN(Cc1cccc(C#N)c1F)CC(F)(F)F 395677385 QQHUMSKFEUCIDV-UHFFFAOYSA-N 288.288 3.862 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H](C2CC2)C1 400047610 RVDLRQZASUBGQX-LLVKDONJSA-N 280.293 3.813 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCC1CCC(F)(F)CC1 409767347 MJJZJSPJMYSKAE-GFCCVEGCSA-N 288.382 3.856 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCc1ccc2ccccc2c1 410826830 JFXRENRKYXEQJW-SFHVURJKSA-N 294.398 3.923 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@H](c1ccccc1)C(C)C 410829242 QEEKKVNSKMSVIV-SJORKVTESA-N 286.419 3.967 30 20 CHED CN(CCC1CCOCC1)CCC1(C#N)CCCCC1 411315163 HFUAJMZNKBNHQH-UHFFFAOYSA-N 278.440 3.599 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cccc(CC#N)c1 412832615 XIUYRKUZRMSWQI-HOTGVXAUSA-N 284.403 3.697 30 20 CHED Cc1occc1CN(C)c1cc(C(F)(F)F)cnc1C#N 413066067 FEQHWTFTJZTPFS-UHFFFAOYSA-N 295.264 3.510 30 20 CHED COc1ccc([C@H](NCC(C)(C)CC#N)C(C)C)cc1 414174014 XQQNUGZUVIBAAD-MRXNPFEDSA-N 274.408 3.922 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCC[C@H]2C2CC2)CC1 414195841 OKNHLCXHHAZEMR-SOEBMCCKSA-N 260.425 3.875 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc([C@@H](C)C(=O)OC)c1 414492157 VTSGNKVILGTPDE-BFHYXJOUSA-N 275.392 3.976 30 20 CHED C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](C)[C@@H]1C 416108309 HFWGHUOIPHATKO-AIANPOQGSA-N 284.403 3.577 30 20 CHED C=C(CC)CS[C@H](C)C(=O)NCc1ccccc1F 419434711 BLEYHMQVJYLMIW-GFCCVEGCSA-N 281.396 3.530 30 20 CHED C=CCCOCCN[C@@H](C)Cc1ccc(F)cc1Cl 421834600 KUUSTMFLQRNPPI-LBPRGKRZSA-N 285.790 3.592 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H](CN)c2ccc3ccccc3c2)C1 423362177 AYEPEGBFCRBWLE-NIKGAXFTSA-N 293.414 3.512 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccccc1OCC 424610728 YOSDDUWBOUURQV-UHFFFAOYSA-N 275.392 3.646 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1cncc(-c2ccccc2)n1 435583171 FJIBDYNDFOMGBS-MAUKXSAKSA-N 295.386 3.537 30 20 CHED N#Cc1ccc(/C=C/c2nc3c(C(=O)O)cccc3o2)cc1 439280389 ZHLRGGKONSGAAS-CMDGGOBGSA-N 290.278 3.568 30 20 CHED CC(C)(C)OC(=O)CCSCc1cccc(C#N)c1 440591454 QKMGVBONCJVNIC-UHFFFAOYSA-N 277.389 3.523 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C(C)C)cc1 448564119 PIIUWYNMXFOXCT-UHFFFAOYSA-N 267.332 3.571 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N[C@H](C)c1ccc(C#N)cc1 448664228 LIVISJKDMLQGEK-ZYHUDNBSSA-N 298.308 3.714 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccccc2F)CCCC1 449049472 JWSPXYAAMOUOEL-UHFFFAOYSA-N 275.367 3.921 30 20 CHED CC1CCN(CCCCNC2CCC(C)(C#N)CC2)CC1 449081226 CSWAVKFXCLAJKX-UHFFFAOYSA-N 291.483 3.561 30 20 CHED C=C(C)CCNCc1cccc(Br)c1OC 449475583 LPYUFOBACYEBSX-UHFFFAOYSA-N 284.197 3.514 30 20 CHED C=CCCCN(C)C(=O)c1c(C)cccc1Cl 449963103 XIIKOTQDFDXHTM-UHFFFAOYSA-N 251.757 3.687 30 20 CHED CC[C@H](C)CSc1cccc(C#N)c1[N+](=O)[O-] 450376628 HCLGDYIWWHNEJU-VIFPVBQESA-N 250.323 3.605 30 20 CHED Cc1ccc(C2(CNC(=O)C3(C#N)CCCC3)CC2)c(C)c1 452730328 LWEPLKRAVDVUIA-UHFFFAOYSA-N 296.414 3.535 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn(CCC)c1C1CC1 452967935 TVNPGKCXYAGPKH-MRXNPFEDSA-N 275.396 3.711 30 20 CHED C=CC(C)(C)CNC1CCC2(CC1)C(=O)Nc1ccccc12 453309559 PVIMONGKJOHBFC-UHFFFAOYSA-N 298.430 3.621 30 20 CHED C=CCCC1(C(=O)Nc2cccc3c(O)nccc23)CC1 456287387 HJIVMYCRMOVFOO-UHFFFAOYSA-N 282.343 3.625 30 20 CHED C=CCCC1(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)CC1 456355821 XCVMVXJCOZYFOI-LSDHHAIUSA-N 263.425 3.872 30 20 CHED CCCC1(C(=O)Nc2cccc(CC#N)c2)CCC1 456749317 KTNDOHSOHQLNBW-UHFFFAOYSA-N 256.349 3.662 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@]2(C)CC=CCC2)c1 456973041 VWWJBGGYFBQZKU-INIZCTEOSA-N 254.333 3.552 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 459007471 SVJXVFHCSLGXRJ-HNNXBMFYSA-N 286.419 3.963 30 20 CHED CCC1(CNC(=O)[C@H](C)c2cccc(C#N)c2)CCCC1 462257438 NZMFZUCUDQKWGH-CQSZACIVSA-N 284.403 3.748 30 20 CHED CC#CCCSCCOc1ccccc1Br 462373940 ZTHHAKRCHSFPAF-UHFFFAOYSA-N 299.233 3.975 30 20 CHED C[C@H](C(=O)N1CCC[C@H]1C(C)(C)C)c1cccc(C#N)c1 463946628 QUVXGOQBNAZZRI-BBRMVZONSA-N 284.403 3.699 30 20 CHED CC[C@H](C#N)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 464109197 NNLOWHRLXLYOHQ-ZWNOBZJWSA-N 298.308 3.617 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCC(C)(C)C1 464503551 WPSDHFMLPHFBAL-CQSZACIVSA-N 287.403 3.902 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(OCC)cc1 466363105 TWGHEUOMGDHLHI-KRWDZBQOSA-N 275.392 3.646 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC)C1CCCCC1 466399842 RLYWFLYPIPUNEQ-ZDUSSCGKSA-N 252.402 3.705 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 471716701 XFGOZFVTPYOHFN-CABCVRRESA-N 277.795 3.916 30 20 CHED C=CCC[C@H](O)CN[C@@H]1CCCC[C@H]1C(C)(C)C 472660749 RCIJZNDCRFZSHW-RRFJBIMHSA-N 253.430 3.508 30 20 CHED CC(C)Oc1ccc(NC(=O)C(C)(C)C(C)C)cc1C#N 474251499 OUSPQCMLKQRXEO-UHFFFAOYSA-N 288.391 3.966 30 20 CHED C[C@H](Cc1ccccc1C(F)(F)F)N[C@H]1CC[C@H](C#N)C1 481999772 QOLVMNANRIHSOS-DYEKYZERSA-N 296.336 3.918 30 20 CHED C=CCCCN(C)C(=O)Nc1cc(Cl)c(Cl)cn1 483887445 XAKAOODEZWOSLF-UHFFFAOYSA-N 288.178 3.818 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(-c2ccccc2)cn1 484687181 BRBXIOKNHRELGZ-KRWDZBQOSA-N 281.359 3.684 30 20 CHED CC(=O)c1ccc(Oc2ccc(Cl)c(C#N)n2)c(C)c1 486937306 HDZBWQGYVCIFIL-UHFFFAOYSA-N 286.718 3.910 30 20 CHED Cc1[nH]c(=N[C@@H](c2ccc(F)cc2)C(C)C)ccc1C#N 487761497 LYYXJXUIDZVOQC-QGZVFWFLSA-N 283.350 3.632 30 20 CHED COc1ccc([C@H](N=c2ccc(C#N)c(C)[nH]2)C(C)C)cc1 487943100 KGZFLEDVSVEPHO-GOSISDBHSA-N 295.386 3.501 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1OCC 488395709 JVXWWTPZTWSVAL-CQSZACIVSA-N 299.374 3.529 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(C)cc1 488812159 DZVFDRXHXJGSOB-RDJZCZTQSA-N 271.404 3.741 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2cccc(C)c2o1 488869052 PRVQTRNSDXDVKQ-CQSZACIVSA-N 269.344 3.922 30 20 CHED C=CCn1c(SCCC)nnc1-c1ccc(C)cc1 489630665 FKCPKHHEYPTKDN-UHFFFAOYSA-N 273.405 3.942 30 20 CHED C#C[C@H](CC)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 491640623 YVARWJJQFKZEFE-SECBINFHSA-N 292.791 3.538 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(N2CCNC2=O)c1C 494478164 UZSOYNUECQYAKH-TZMCWYRMSA-N 287.407 3.537 30 20 CHED CCc1c(C)sc(NC(=O)[C@H](C)C(C)C)c1C#N 498082237 MZAQXFDDTVIENR-SECBINFHSA-N 264.394 3.721 30 20 CHED CCOc1ccc(C#N)cc1NCc1cc(F)cc(F)c1 501001557 LLMZSJPJXDNOIR-UHFFFAOYSA-N 288.297 3.847 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)C1 503661970 DLTPAGCQWYCJMF-LFYQSXPISA-N 276.424 3.647 30 20 CHED C[C@]1(NC(=O)c2sccc2C#N)CCCc2ccccc21 506121584 VJVDUFVRRUMDMN-KRWDZBQOSA-N 296.395 3.601 30 20 CHED C=C(C)CCc1noc([C@@H](C)Oc2ccc(F)c(F)c2)n1 508625592 OFTUKHYHGDNUGV-SNVBAGLBSA-N 294.301 3.997 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C#N)c2ccccc2n1 514631603 UZYHARHUUWPSNI-KRWDZBQOSA-N 279.343 3.647 30 20 CHED N#CCN(CCCOc1ccc(Cl)cc1)C1CCCC1 519566338 LKTWQDTXELZPNX-UHFFFAOYSA-N 292.810 3.877 30 20 CHED C=C(C)CN(CCc1ccc(OC)c(OC)c1)CC(C)C 522418967 WBNZRNJFAHJFCB-UHFFFAOYSA-N 291.435 3.780 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 529392910 FUUUXGDHQRXVQW-ZIAGYGMSSA-N 278.440 3.990 30 20 CHED CC1CC(C#N)(C(=O)Nc2cc3c(cc2Cl)CCC3)C1 530020234 DPWWDJBHHVSPHA-UHFFFAOYSA-N 288.778 3.707 30 20 CHED C=C(C)CSCc1cccc(C(=O)NCC(C)C)c1 530632418 STNDZSQALBSCHT-UHFFFAOYSA-N 277.433 3.882 30 20 CHED C=C(CC)CSCC(=O)N(C)[C@H]1CCCC[C@H]1C 536882475 WPCVPXFKSWSGFY-KGLIPLIRSA-N 269.454 3.723 30 20 CHED CCN(Cc1cccc(C#N)c1F)c1cccc(OC)c1 539249348 AIELJYUOBSZHHR-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CCC(C)C)C1CC1 539464125 NJXJMKWJGVBMSB-CQSZACIVSA-N 266.429 3.951 30 20 CHED N#CC1(CN[C@@H](c2ccccc2F)C2CCCC2)CC1 539490035 FDAXTOCLTOXBHA-MRXNPFEDSA-N 272.367 3.950 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 540351914 LMILXAHBCBTODS-ZDUSSCGKSA-N 272.392 3.652 30 20 CHED Cc1ccnc(N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1C#N 544146648 SMHXBSXRUXNTHN-SJKOYZFVSA-N 295.361 3.988 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)C(F)(F)F 548158482 JENCUXGGHHGLRN-DTWKUNHWSA-N 274.261 3.546 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1=CCCCCC1 548492420 NHATYEKRMWBHDS-UHFFFAOYSA-N 273.376 3.727 30 20 CHED CC(C)Oc1cccc(CNCc2ccc(C#N)s2)c1 553315122 PZFPXOLOTLTBQR-UHFFFAOYSA-N 286.400 3.697 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H](C)[C@@H](C)CC)cc1 560708743 JOLHPEFJPVDIJZ-UONOGXRCSA-N 275.392 3.550 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1Cc1ccc(C#N)cn1 565170787 GIZGXOYUSOUMAF-GOSISDBHSA-N 295.361 3.738 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)NCC1(C#N)CCC1 570572641 XOOBDMVVLDRUMA-AWEZNQCLSA-N 262.397 3.569 30 20 CHED Cc1ccc(C(=O)C2CCN(C(C)(C)C#N)CC2)c(C)c1 570579601 PEJOXYASVKPELC-UHFFFAOYSA-N 284.403 3.500 30 20 CHED C=C[C@@H]1CCCCN1c1cccc(C(=O)OC(C)(C)C)n1 570933995 ULVUTYVIWOXGOF-CYBMUJFWSA-N 288.391 3.582 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@@H](F)C1 582119283 PURBQFBZIFYZCO-KGLIPLIRSA-N 270.392 3.655 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ccccc1F 588618473 UVDHPVUYAWRWJK-KTKRTIGZSA-N 251.260 3.593 30 20 CHED C[C@@H](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)CC(C)(C)C 588767588 QNNMPBXKSXXLQJ-JTQLQIEISA-N 288.395 3.560 30 20 CHED CCC(C)(C)CC(=O)Nc1cc(C#N)c2ccccc2n1 589044872 FIDJNTHOMXHJBC-UHFFFAOYSA-N 281.359 3.871 30 20 CHED Cc1nnc(NC[C@@H]2CCCCC(F)(F)C2)c(C#N)c1C 589870054 ADZVPJGPLNRCLX-GFCCVEGCSA-N 294.349 3.593 30 20 CHED CCOc1cccc(-c2ccc(C#N)c(Cl)c2)n1 589963007 SFGWBPPMRAFNOQ-UHFFFAOYSA-N 258.708 3.672 30 20 CHED C[C@H](CSc1ccccc1)N(C)CCCSCC#N 593046653 QSWAUFGLWFNNEP-CQSZACIVSA-N 294.489 3.746 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(-c2ccccc2)c(C)s1 593412888 YRVSXOYZJOMCJM-NSHDSACASA-N 285.372 3.607 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C1CCC1 594036516 AUXUKMGQUDIOAO-AWEZNQCLSA-N 298.430 3.679 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCc1ccc(-c2ccccc2)o1 594098656 XFVDKINNCKAAJM-OAHLLOKOSA-N 296.370 3.640 30 20 CHED C=CCCSCCN[C@H]1CCc2cc(F)ccc21 595058714 JTCRHAARABAUFV-HNNXBMFYSA-N 265.397 3.712 30 20 CHED COc1cccc(CN[C@@H](C)c2ccc(C#N)cc2F)c1C 595104814 LVRWHHUPWQIGCL-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED CC(C)CCc1nc(CN(C2CC2)[C@@H](C)C#N)cs1 595713234 GGGXYGMPIHETCX-LBPRGKRZSA-N 277.437 3.608 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC([C@@H]2CCCCO2)CC1 595789698 SNDPYQOBGIALRE-BEFAXECRSA-N 298.430 3.900 30 20 CHED N#CCC1(CSCCOCC2CCCC2)CC1 596368531 KAVOUVITPNYYHS-UHFFFAOYSA-N 253.411 3.620 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(C2CC2)cc1 597036974 HCDBYPPZSYZDQJ-KRWDZBQOSA-N 270.376 3.622 30 20 CHED C[C@@H](C#N)N(C(=O)c1cc2ccc(F)cc2s1)C1CC1 598126075 AZOUDINRLAZQFK-VIFPVBQESA-N 288.347 3.557 30 20 CHED N#CC1(CC(=O)NCCCC2CCC2)CCCCC1 598214143 CIEMNVOWRQFYHX-UHFFFAOYSA-N 262.397 3.547 30 20 CHED Cc1ccccc1-c1nsc(N2CCC[C@@](C)(C#N)C2)n1 599067053 XGSXGUFKPXGFNG-INIZCTEOSA-N 298.415 3.644 30 20 CHED COc1ccc(-c2noc(CCCCCC#N)n2)c(C)c1 599192270 FPQFBSZPUMGSPX-UHFFFAOYSA-N 285.347 3.680 30 20 CHED CCC(C#N)(CC)C(=O)NCCCCCc1ccccc1 599299042 FMWCZCPJDFCZAN-UHFFFAOYSA-N 286.419 3.846 30 20 CHED CCCCSc1nnc(S[C@@H](C#N)C2CC2)s1 601073825 FJOMATFCVZOGMT-VIFPVBQESA-N 285.463 3.825 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2ccccc2CC#N)c1 601120230 HYJHWTZKUVJJHP-OAHLLOKOSA-N 292.382 3.861 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)CCC1CCCCC1 604899491 HORMFSGFUFAGPW-KBPBESRZSA-N 266.429 3.999 30 20 CHED CCOc1ccccc1OCCOc1ccc(C#N)cc1C 610270521 VOPOUEAMBVDFPB-UHFFFAOYSA-N 297.354 3.723 30 20 CHED CCN(Cc1ccc2ccccc2c1)c1ccc(C#N)nn1 611242151 PZRCYCWVRASISH-UHFFFAOYSA-N 288.354 3.528 30 20 CHED C[C@@]1(C#N)CCCN(Cc2sccc2Br)C1 612160630 KEOHBJGYPVGLHT-LBPRGKRZSA-N 299.237 3.636 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3=O)C1 617778933 RDPSJOQPOAVPKP-AWEZNQCLSA-N 297.398 3.634 30 20 CHED CCC[C@@H](C#N)NC(=O)c1c(Cl)cc(F)cc1Cl 617849040 OPUOCIKTCWOQDC-QMMMGPOBSA-N 289.137 3.555 30 20 CHED C=CCC1(C(=O)NCc2cc(COC)cs2)CCCC1 618536499 QGMREUMFACXGCP-UHFFFAOYSA-N 293.432 3.647 30 20 CHED Cc1ccsc1CN[C@@H]1CCc2cc(C#N)ccc21 618741683 KMNGWKMNDRKQJP-OAHLLOKOSA-N 268.385 3.705 30 20 CHED C[C@@H](CCC#N)CN1CCCCC[C@H]1c1ccncc1 618887432 ZLEDPTCNAJKTGL-RDJZCZTQSA-N 271.408 3.939 30 20 CHED C=CCC1(NC(=O)c2cn(CCCC)nc2C)CCCC1 619111159 QGTBEOREZQIBJF-UHFFFAOYSA-N 289.423 3.610 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 619438118 PTEVOXVPGUEOSK-FRFSOERESA-N 284.403 3.952 30 20 CHED C=CC[C@H](CC)NCc1ccc(Cl)c(OC)c1 623513007 DUHZIYCPTLREBS-LBPRGKRZSA-N 253.773 3.793 30 20 CHED C=CCC1(NCc2nc(CCCC)no2)CCCCC1 625937696 OAGTYTMYRKEWFQ-UHFFFAOYSA-N 277.412 3.781 30 20 CHED C=CCOCCCC(=O)N[C@@H](CC)c1cc(C)ccc1C 629109217 PPDKQZUCXFCNFB-KRWDZBQOSA-N 289.419 3.854 30 20 CHED Cc1cc(SCC(=O)C2CCCC2)ccc1C#N 647144033 KFIXIEGUMRPWOX-UHFFFAOYSA-N 259.374 3.718 30 20 CHED C=CCC1(C(=O)Nc2cccc(C)c2O)CCCC1 649067936 MZXUPXYPGKPXHY-UHFFFAOYSA-N 259.349 3.776 30 20 CHED C=CCN(C(=O)c1coc2ccc(Cl)cc12)C1CC1 649893851 VDNJFZURXQLUEE-UHFFFAOYSA-N 275.735 3.877 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](OC3CCC3)C2)CCCC1 655286917 VFLPYYIDGJDKER-INIZCTEOSA-N 291.435 3.683 30 20 CHED C=CCN(C(=O)Nc1ccc(C(C)C)cc1)[C@@H](C)COC 665145522 RFTZWRNUWIISEG-AWEZNQCLSA-N 290.407 3.865 30 20 CHED C=CCC1(N[C@H](C)CCC=C(C)C)CCOCC1 668552623 PSJDNGDDFHAVOT-OAHLLOKOSA-N 251.414 3.836 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(OC(C)C)cc1 678881266 BXDOLIJBDWFOLO-CQSZACIVSA-N 275.392 3.948 30 20 CHED C=CCC[C@H](C)N[C@H]1COc2c(Cl)cccc21 680467513 PKXWRKIERNVEKS-GWCFXTLKSA-N 251.757 3.718 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cnccc1C(F)(F)F 700781365 SMRKIKGBPVWRHB-SNVBAGLBSA-N 285.313 3.518 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc(F)cc1O 727776926 IHXZLQFRCFMVMF-UHFFFAOYSA-N 272.323 3.984 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1)C2 730948835 MOIONIHVYNKEOR-ZROIWOOFSA-N 252.288 3.957 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1cncs1 734744102 AAJROZSFKHTFJK-UHFFFAOYSA-N 285.294 3.998 30 20 CHED C=CCN(CC1CCCCC1)CC(F)(F)C(F)F 736622542 WFJWXVLWTGTDFZ-UHFFFAOYSA-N 267.310 3.955 30 20 CHED COc1ccc(CCNN=C2CCCCCCC2)cc1 737439666 BIDYXVMVWROHGO-UHFFFAOYSA-N 274.408 3.928 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H]1CCC[C@@H](C)C1 741519990 CKMJOLISMJBDTC-OCCSQVGLSA-N 287.359 3.689 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C=C(C1CC1)C1CC1 741639577 DZZGSWZNFPRGDS-UHFFFAOYSA-N 299.345 3.523 30 20 CHED COc1cccc(F)c1C(C)=NNc1ccc(F)cc1F 741811455 XHYNQNMARFGEHY-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C#CCOc1ccc(CNCC(CC)(CC)SC)cc1 742388403 TVZBCZOVBXYUPX-UHFFFAOYSA-N 291.460 3.710 30 20 CHED CCOc1cccc(C(C)=NNc2ncccc2Cl)c1 743531053 BUUBOYNMMJRVQW-UHFFFAOYSA-N 289.766 3.970 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1nc2ccccc2o1)C(C)(C)C 744041192 SJDJRNXVGLWPNV-ZKQHCESOSA-N 282.343 3.996 30 20 CHED C=C(C)CCOC(=O)/C=C/c1ccc(Cl)cc1 744304652 VWKFIJKUMSJQRM-VMPITWQZSA-N 250.725 3.863 30 20 CHED C=C(Cl)CN(CCOC)Cc1ccc(C)cc1C 746657032 CSFZDOXXZFIHSQ-UHFFFAOYSA-N 267.800 3.504 30 20 CHED COc1cc(C)nc(NN=C2CCC[C@@H]2c2ccccc2)n1 747635222 UQRRNXKTRHCXGG-CQSZACIVSA-N 296.374 3.529 30 20 CHED COc1ccccc1C1(C/N=C\c2ccccc2O)CC1 749450084 BRIDJWRRYWGMDD-UNOMPAQXSA-N 281.355 3.552 30 20 CHED Oc1c(F)cc(C=NNc2ccc3ccccc3n2)cc1F 749854141 ZWTDCTZPKVKHQS-UHFFFAOYSA-N 299.280 3.665 30 20 CHED C#CCN(C(=O)C1(Cc2ccccc2)CC1)C1CCCCC1 752297977 ILIVYQVNLAZDOB-UHFFFAOYSA-N 295.426 3.804 30 20 CHED C=CCCCN[C@H](C)c1cnn(-c2ccccc2)c1C 754689360 PHBZZXSADSGOOW-CQSZACIVSA-N 269.392 3.798 30 20 CHED CC(=NNc1ccccc1)c1cc(F)cc(F)c1O 757450588 FWJSTDGGECOLTM-UHFFFAOYSA-N 262.259 3.507 30 20 CHED C#CC[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 757578368 KLEDBYHZPXRFKN-SFHVURJKSA-N 288.350 3.662 30 20 CHED C#CC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 757580993 VMFFZXKPUDCNAD-MRXNPFEDSA-N 283.758 3.834 30 20 CHED CN1CCCC(=NNc2c(Cl)cccc2Cl)CC1 758116036 BQOOUBDFXVLRPA-UHFFFAOYSA-N 286.206 3.877 30 20 CHED C=CCn1c(SCOCC)nnc1-c1ccc(C)cc1 758411734 ONWWVKNTPCYWQP-UHFFFAOYSA-N 289.404 3.526 30 20 CHED CC(Cc1cccc(F)c1)=NOCc1ccccc1 759193696 OXVPONWJXAZSIM-UHFFFAOYSA-N 257.308 3.961 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(N(C)C)cc1)C2=O 759664432 KNPURFXHSZQWKG-KAMYIIQDSA-N 293.366 3.584 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CC[C@H](CO)C1 759701186 LPTSTAAJWSOWIV-SNGWPZLWSA-N 281.440 3.524 30 20 CHED C[C@H](NC(=O)C(F)=C1CCCC1)c1ccc(C#N)cc1 762598299 RFGAOYDEACSOCH-NSHDSACASA-N 272.323 3.533 30 20 CHED CCON=C(C)c1cc(Br)cc(Cl)c1O 764677447 YRJSNHXFRPPARR-UHFFFAOYSA-N 292.560 3.569 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 766572042 LOKKUBPWTQVSSB-LSDHHAIUSA-N 258.409 3.902 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(OC)c(OC)c1 766771694 IQBZNWHRXUZPHQ-FNORWQNLSA-N 297.354 3.557 30 20 CHED CCCCCCCN1CCN([C@@H](C)c2nccs2)CC1 767008402 ODGCYYAIUZJBPD-HNNXBMFYSA-N 295.496 3.792 30 20 CHED COc1cc(C)ccc1C(C)=NNc1cccc([N+](=O)[O-])c1 767034369 SVSNWIPZEUQYKJ-UHFFFAOYSA-N 299.330 3.748 30 20 CHED CCCCCCCCCN(C)c1ccc(C#N)nn1 767209027 IWZYUAVWDAJLBQ-UHFFFAOYSA-N 260.385 3.535 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sc2cc(F)ccc2c1Cl 767232130 LWBJPWVDLRQTAQ-QMMMGPOBSA-N 295.766 3.788 30 20 CHED C#C[C@H](C)N(C)C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 767257823 MDRKMKNJWXFAFF-IIANPFDCSA-N 295.304 3.589 30 20 CHED C#C[C@@H](OC(=O)c1cncc(-c2ccc(C)cc2)c1)C1CC1 767519009 RZVNOZAVKJSWNL-GOSISDBHSA-N 291.350 3.626 30 20 CHED C=CCN(Cc1nc2ccccc2n1CCC)C(C)C 768548272 ZRYURLVKAPAWFQ-UHFFFAOYSA-N 271.408 3.843 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NNc1ccc(Cl)nn1 769566925 KIHLUFZKWKMDKF-VHSXEESVSA-N 266.776 3.744 30 20 CHED N#Cc1ccc(OC(=O)CC2CCCCCC2)c(F)c1 769740968 YZLGDGZLXHYWJJ-UHFFFAOYSA-N 275.323 3.963 30 20 CHED CCc1nn(C)cc1/C=C1/CCc2c(C)ccc(C)c2C1=O 769746790 NSJLUWVAXNLUFN-UVTDQMKNSA-N 294.398 3.812 30 20 CHED COc1cccc(-c2n[nH]cc2/C=C/C(=O)c2ccco2)c1 769783311 CALDZUYAJLMKGG-BQYQJAHWSA-N 294.310 3.574 30 20 CHED C#C[C@H](C)NC(=O)CCC(=O)c1ccc(CCCCC)cc1 772972990 OFSJBMSNGPOIJZ-HNNXBMFYSA-N 299.414 3.520 30 20 CHED C#CCOc1ccc([C@H](C)NCC2(CC)CC2)cc1 773045182 HJMVFSUUOGVFMA-AWEZNQCLSA-N 257.377 3.539 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1cccc(C)c1F 775714283 KMZYQFRLPHJQGR-UHFFFAOYSA-N 298.317 3.790 30 20 CHED C#CCOc1ccc(CN[C@H](C)CCCC=C)cc1 776254256 ABYLWSWJUUNYEM-OAHLLOKOSA-N 257.377 3.533 30 20 CHED C[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)c1ccsc1 776385707 HHQHNAWSWLQSDN-BXUZGUMPSA-N 277.389 3.867 30 20 CHED C=C(C)CNC(=O)N1CCC(C2CCCCC2)CC1 777659724 GJNMIQAMOAXWMQ-UHFFFAOYSA-N 264.413 3.564 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1ccnc(F)c1 781131792 BZXKXNDLZZEPHF-UHFFFAOYSA-N 275.302 3.780 30 20 CHED C#CCN[C@H](c1cccc2ccccc12)C(F)(F)F 781348320 GDXNIGQFBDLXES-CQSZACIVSA-N 263.262 3.666 30 20 CHED C=CCCCCCOC(=O)c1cc(=O)c2ccccc2o1 782023742 LPKPXIBMUAQFRP-UHFFFAOYSA-N 286.327 3.696 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1coc(-c2ccccc2)n1 782287025 JCBJUVXFNPXHFU-HNNXBMFYSA-N 283.375 3.844 30 20 CHED C=CCCCCCOC(=O)c1ccc2ncoc2c1 783401619 NKHVHLQWTBMPOO-UHFFFAOYSA-N 259.305 3.731 30 20 CHED C[C@H]1CCC(=NNc2nc(O)c3ccccc3n2)[C@H](C)C1 783855416 MCVNKIGHYMQQIK-WDEREUQCSA-N 284.363 3.559 30 20 CHED Cc1cscc1C(=O)OCc1ccc(C#N)cc1Cl 784229664 FWJJDFGSHKOWNB-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C#CCC1(C(=O)N2CCC[C@H](CCC)C2)CCCCC1 788233823 ZCHHUIIEXKLYCD-INIZCTEOSA-N 275.436 3.999 30 20 CHED COc1cc(NN=C2C[C@@](C)(OC)C2(C)C)ccc1Cl 788471745 GVTCLGUCCCFLAR-OAHLLOKOSA-N 296.798 3.952 30 20 CHED CC(C)C(C=NN1CCc2ccccc2C1=O)C(C)C 789035217 YVSAECNBIULHAR-UHFFFAOYSA-N 272.392 3.599 30 20 CHED CCCCCCC[C@@H](C)NCc1cccn(CC)c1=O 789751801 HSDVTRVJNBTEGB-OAHLLOKOSA-N 278.440 3.707 30 20 CHED Cc1cccnc1NN=Cc1ccc(N2CCCCC2)cc1 790186733 QULQIZPVECJNES-UHFFFAOYSA-N 294.402 3.826 30 20 CHED CC[C@H](C)NN=Cc1csc(-c2ccc(F)cc2)n1 790189802 QVHMQWRVDWQDBU-JTQLQIEISA-N 277.368 3.671 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccc(F)c(C)c2)CCC1 791560663 KXNCMRPQXWGWOG-UHFFFAOYSA-N 290.334 3.606 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C(C)=C/CC 791863887 FOGFYJYGSJXWGM-OQLLNIDSSA-N 257.377 3.948 30 20 CHED Fc1ccc(CNN=C2CCC3(CC2)CC3)cc1F 792630664 XNUMCZNGJSWBAH-UHFFFAOYSA-N 264.319 3.765 30 20 CHED FC(F)(F)CCNN=C1C[C@H]2CCCc3cccc1c32 794552103 KWZXBXCFHYPJCR-LLVKDONJSA-N 282.309 3.756 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccnc(F)c2)c1 794721102 WRFGXTPLBLEFKV-SREVYHEPSA-N 271.291 3.516 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2ccnn2C(C)C)c1 794942342 LZNBOZUICJTVKF-AATRIKPKSA-N 268.360 3.977 30 20 CHED CC(C)n1nccc1/C=C1/Cc2c(F)cc(F)cc2C1=O 794944437 BJVYUSHPAOBVSY-YHYXMXQVSA-N 288.297 3.565 30 20 CHED O=C1/C(=C/c2ccsc2)CCc2ccc(O)cc21 794960659 VTKORIDNFWZLGF-KPKJPENVSA-N 256.326 3.666 30 20 CHED Fc1cccnc1NN=Cc1c[nH]c2cc(Cl)ccc12 794985136 RBLMANYUNCDRDM-UHFFFAOYSA-N 288.713 3.801 30 20 CHED COCCCON=C(C)[C@@H](C)c1nc2ccccc2s1 795044185 LXESCLJPORLTBV-LLVKDONJSA-N 292.404 3.829 30 20 CHED C/C=C/COC(=O)c1sc2ccc(C#N)cc2c1C 796626627 UYZVRVLPKQBREH-ONEGZZNKSA-N 271.341 3.814 30 20 CHED C#C[C@@H](N[C@@H](CC)c1ccc(F)cc1F)C(C)C 798398965 ZTAUKZCIWPGQGQ-CABCVRRESA-N 251.320 3.663 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(N3CCCCC3)cc2)C1 799720445 IKBJHMKZSVCKPQ-GDBMZVCRSA-N 269.392 3.781 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2CCCC(F)(F)C2)c(F)c1 800279019 CKFKZWSGVPCFMQ-NSHDSACASA-N 297.276 3.566 30 20 CHED C[C@H]1CC[C@H](C=NNc2ncnc3ccsc23)C1 800814768 XPIWPIMWSMVMPI-UWVGGRQHSA-N 260.366 3.525 30 20 CHED C[C@@H](C#N)OCCSCc1ncc(Cl)cc1Cl 802752690 SLYSZSGFRFSVPO-QMMMGPOBSA-N 291.203 3.550 30 20 CHED N#CCCCCCC(=O)OCCC1CCCCC1 805698066 QJTLONWJRZHCJW-UHFFFAOYSA-N 251.370 3.974 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2occ(C)c2c1 806435624 IIPNKAXOHUCJEB-LBPRGKRZSA-N 270.332 3.665 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cc(C#N)cs2)co1 806558118 SAPDCHLBSMTCOH-ONEGZZNKSA-N 272.329 3.627 30 20 CHED C=CCCCCCCCCNC(=O)c1cccnc1 807845428 ZGPCUVAGOHXCHT-UHFFFAOYSA-N 260.381 3.728 30 20 CHED C[C@H]1CC(=NNc2cc(C#N)cc(Cl)n2)c2ccccc21 807979736 JPFWJMUPJLUFDY-JTQLQIEISA-N 296.761 3.930 30 20 CHED N#Cc1cc2ccccc2nc1N1CCC[C@H](C2CC2)C1 808125203 NICYOJRGWICNSH-HNNXBMFYSA-N 277.371 3.733 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 809374031 GQUJZOITQZBTJM-TXEJJXNPSA-N 289.341 3.615 30 20 CHED C#C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C 809685414 SKKKYIHINFCPPX-HNNXBMFYSA-N 298.342 3.602 30 20 CHED C#C[C@@H](N[C@H](CCc1ccccc1)C(F)F)C(C)C 809685669 JOOMKWGSGUFPMK-HUUCEWRRSA-N 265.347 3.500 30 20 CHED C=CCCCCCCCNC1CCC(NC(C)=O)CC1 810243999 WXMVMDTXROEJBV-UHFFFAOYSA-N 280.456 3.550 30 20 CHED C[C@H](C#N)Oc1ccccc1NCC1Cc2ccccc2C1 811489097 WABOZUOGHXGZJI-CQSZACIVSA-N 292.382 3.804 30 20 CHED Oc1cc(C=NNCc2ccccc2)cc(C(F)(F)F)c1 811634207 HJNDCKGXTCMKOB-UHFFFAOYSA-N 294.276 3.535 30 20 CHED C=CCCCCCCCN1C(=O)[C@@H]2C[C@@H](C)CCN2C1=O 811841545 KMPQCDGVCYZUQF-GJZGRUSLSA-N 292.423 3.576 30 20 CHED C=CCCCCCCCNC(=O)NC[C@@H]1CCO[C@@H](C)C1 811899698 FOKSJTRQOQYJGZ-JKSUJKDBSA-N 296.455 3.627 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 812176455 CBJAPUKHOVYTKX-YJBOKZPZSA-N 298.430 3.971 30 20 CHED CC(CCc1ccc(F)cc1F)=NOC1CCC1 812237039 IBQLVUCTMIWETM-UHFFFAOYSA-N 253.292 3.842 30 20 CHED C#Cc1ccc(CNc2cc3c(cn2)CCCC3)cc1 812782389 YCUBCUVBOBORST-UHFFFAOYSA-N 262.356 3.554 30 20 CHED CC(C)(C)C1CCC(=CC(=O)N[C@]2(C#N)CC2(C)C)CC1 813300903 PNXXCAIYOWYSGP-IBYPIGCZSA-N 288.435 3.958 30 20 CHED CSC(C)(C)CC=NNc1ccccc1[N+](=O)[O-] 814686086 VXOZDRCUIMLTGV-UHFFFAOYSA-N 267.354 3.524 30 20 CHED Cc1c(C=NN2CCOCC2)sc2c(Cl)cccc12 814696447 OBBBAJAYNHQSJE-UHFFFAOYSA-N 294.807 3.529 30 20 CHED CO[C@](C)(C=NNc1ccccc1Br)C1CC1 814791297 DJHAMTNELMJFGB-CYBMUJFWSA-N 297.196 3.662 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCS[C@H]1C 814921839 FSMIUZQJSXGUOB-QMMMGPOBSA-N 284.816 3.547 30 20 CHED Brc1cc2c(s1)CCC2=NOCC1CC1 814941227 RLOAHOYBEHBNKB-UHFFFAOYSA-N 286.194 3.588 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCC[C@H]1CCC[C@@H](C)C1 815338112 NCJVGXBTTJIBTP-TZMCWYRMSA-N 286.375 3.635 30 20 CHED C=CCCC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 816794551 SZEZDEZAOSLCIM-MOPGFXCFSA-N 295.382 3.544 30 20 CHED CC(C)COc1ccc(C=NN[C@H](C)c2ccncc2)cc1 819815619 SJFAPAQFBASLPX-OAHLLOKOSA-N 297.402 3.801 30 20 CHED Cc1cc(SCCSC(C)(C)C)c(C#N)cn1 819929581 KLBVPEVWXQJEJN-UHFFFAOYSA-N 266.435 3.886 30 20 CHED C#C[C@H](OC(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1 821612621 CHRIBCOQAIDRMY-GDXASINISA-N 297.741 3.666 30 20 CHED CC(C)Oc1ccc(N[C@H]2CSC[C@@H]2C)cc1C#N 824125933 QLUJEBNTLBXEMS-FZMZJTMJSA-N 276.405 3.509 30 20 CHED CC(C)(C)Oc1ccc(NC[C@@H]2CCSC2)cc1C#N 824721744 IOKKHCVGCIEBGI-LBPRGKRZSA-N 290.432 3.901 30 20 CHED CC(C)(C(=O)O)c1ccc(NCc2cccc(C#N)c2)cc1 826126775 IOTVVTKFYQZILG-UHFFFAOYSA-N 294.354 3.533 30 20 CHED CCCCC[C@H](/N=C/c1c(O)ccc2ccccc12)C(=O)O 829312682 YMXHZIQADLPHOG-QUYZQLMHSA-N 299.370 3.998 30 20 CHED CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccsc1 834688681 DMSYETQLESWCKJ-HNNXBMFYSA-N 286.400 3.869 30 20 CHED CSCC1CCC(=NNc2nc3ccccc3[nH]2)CC1 834922153 YBHXUEAEAXIAKG-UHFFFAOYSA-N 288.420 3.884 30 20 CHED C=CCONC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 834933017 KPOXPBGXLZFIEN-AWEZNQCLSA-N 276.380 3.581 30 20 CHED CC[C@H](C)[C@H](C=NNc1cc(F)c(F)cc1F)OC 834959016 DEAFYHJOOHZGIN-SDBXPKJASA-N 274.286 3.563 30 20 CHED COCC1CCC(=NNCc2cccc(Cl)c2)CC1 834960808 CKKSUKQGTFXGQQ-UHFFFAOYSA-N 280.799 3.622 30 20 CHED C[C@@H](NN=C/C=C/c1ccc(F)cc1F)C(F)(F)F 834998598 VZKJQXARFFRXLL-ADIQSITOSA-N 278.224 3.504 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1sc(C(C)C)nc1C 835003175 XAXHIPZNFZGMDN-VIFPVBQESA-N 293.358 3.839 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1occc1C 835020427 LRWRFNMAFONJFT-OAHLLOKOSA-N 272.323 3.728 30 20 CHED C#CC[C@@H](OC(=O)[C@H](CC)CC(F)(F)F)C(C)C 835200511 LRPYSBRPCMIOOB-GHMZBOCLSA-N 264.287 3.556 30 20 CHED CC[C@@H](OC(=O)CC(C)(C)C#N)c1ccnc(Cl)c1 838919909 JLADXENDONZBLA-LLVKDONJSA-N 280.755 3.669 30 20 CHED CC(C)c1nc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cs1 839051042 MGVBHFOPLXXPIQ-WDEREUQCSA-N 278.377 3.506 30 20 CHED CCN(CC)c1ccc(CN(C)[C@H](C)CCC#N)cc1 839458885 CLKSXAHNZZXRPY-OAHLLOKOSA-N 273.424 3.657 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)n1)[C@H]1C[C@H]1C 841626977 XHJZJYXBVHCHPB-BDAKNGLRSA-N 271.286 3.934 30 20 CHED C[C@@H](COC(=O)C[C@H](CC#N)c1ccccc1)CC(F)F 842444267 QWZZPWHKUGAHPR-OCCSQVGLSA-N 295.329 3.908 30 20 CHED Cc1c(NN=C2CCC[C@@H]3C[C@]23C)cccc1C(=O)O 844622616 HMKUYMWKWUANQA-BZNIZROVSA-N 272.348 3.671 30 20 CHED C=C[C@H](C)ONC(=O)N(C)CCc1cccc2ccccc12 845632443 ASLBNXVBNVQBFQ-AWEZNQCLSA-N 298.386 3.530 30 20 CHED CC[C@H](COC(=O)c1ccc(C)c(C#N)c1)CC(F)F 845757555 WYZKWCCAKMGBBR-NSHDSACASA-N 281.302 3.705 30 20 CHED C/C(=C/c1ccco1)C(=O)N[C@](C)(C#N)C1CCCCC1 846929643 XOMOSFOEKCBXIR-QAAVPBIRSA-N 286.375 3.662 30 20 CHED C/C=C(/CC)C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 847041619 ADUKEROZFSUXSS-SZCQRLSZSA-N 270.376 3.628 30 20 CHED CC(C)CNN=Cc1oc2ccccc2c1Br 848407289 OBOAMADTYYVKAH-UHFFFAOYSA-N 295.180 3.775 30 20 CHED CC1CCC(C=NNc2ccc(CC(=O)O)cc2)CC1 848413946 FRMFFTFXNHMBJG-UHFFFAOYSA-N 274.364 3.538 30 20 CHED CCC(=NNc1ccc(CC(=O)O)cc1)[C@H]1CC1(C)C 848414136 JRHZUOGDYJBBIQ-CYBMUJFWSA-N 274.364 3.538 30 20 CHED C[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1cccc(F)c1 851209888 QFOFECBTLAGSAM-NEPJUHHUSA-N 277.339 3.801 30 20 CHED COc1cccc(C=NOC/C=C/c2ccccc2)c1OC 852148985 CKGOKNSIHZIFHI-JVWGOUTDSA-N 297.354 3.768 30 20 CHED N#Cc1ccc([C@@H](O)CNC2CCC(C3CCC3)CC2)cc1 853124384 LRZDJKBDFQOLGV-KVZIAJEVSA-N 298.430 3.540 30 20 CHED CO[C@H](C=NNc1nccc2sccc12)C1CCCC1 853294359 MZEOFRCWHQXGCF-CYBMUJFWSA-N 289.404 3.899 30 20 CHED COC1(C(C)=NNc2cc(Cl)nc(Cl)c2)CCC1 853360150 WBOJSVAEASBRRD-UHFFFAOYSA-N 288.178 3.745 30 20 CHED C#Cc1cccnc1N[C@@H]1CCC[C@@H](SCC)C1 853405784 BQMBCQBEYDEPPP-ZIAGYGMSSA-N 260.406 3.539 30 20 CHED C=CCCONC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 856032618 OBPBAOZQUIKNHL-VIFPVBQESA-N 288.174 3.721 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(Cl)cs1 856372320 JZDWPRSHGZQOTE-UHFFFAOYSA-N 257.786 3.876 30 20 CHED N#CC1(CC(=O)OCc2ncccc2Cl)CCCCC1 859741454 JLDYVWNBPYMYSR-UHFFFAOYSA-N 292.766 3.642 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(-c2ccccc2)oc1C 860330799 JXALRCLUHVZSTG-ZDUSSCGKSA-N 269.300 3.714 30 20 CHED Cc1cccc(NN=Cc2ccc([C@H]3C[C@H]3C)o2)n1 863161856 LFALFNBHEYBNHM-MFKMUULPSA-N 255.321 3.552 30 20 CHED CC(C)C1CCN(C(=O)Nc2sccc2C#N)CC1 864255810 JTNLILHVLMJWCR-UHFFFAOYSA-N 277.393 3.520 30 20 CHED CCCN(Cc1ccccc1O)C[C@@H](C)CCC#N 876655296 YXWOHMZJFFIUBX-AWEZNQCLSA-N 260.381 3.544 30 20 CHED CC(=O)N(c1ccc(NC[C@@H](C)CCC#N)cc1)C1CC1 877553664 WXXCDKQFJSJTHP-ZDUSSCGKSA-N 285.391 3.554 30 20 CHED N#CCC1(CN[C@@H]2CCCc3c2[nH]c2ccc(F)cc32)CC1 886605435 QKGGOBGBVLVVCP-MRXNPFEDSA-N 297.377 3.968 30 20 CHED C#CCCCCCC(=O)Nc1cnc(Cl)cc1Cl 891001231 YHFHZFKIXKFQFT-UHFFFAOYSA-N 285.174 3.911 30 20 CHED O=C1/C(=C\c2cnn(CC3CCC3)c2)Cc2ccccc21 899336716 YJFJQOYWQSJPSK-PXNMLYILSA-N 278.355 3.506 30 20 CHED C/C(=C\C(=O)N(O)Cc1ccc(F)cc1)C(C)(C)C 901372741 KUPUGJHPVJHBHT-PKNBQFBNSA-N 265.328 3.536 30 20 CHED C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccc(C#N)c(F)c1 903334589 CUTNNDPFLOAQDD-SGTLLEGYSA-N 295.361 3.894 30 20 CHED C=CCCCN(CC)[C@@H](C(=O)O)c1cccc(Cl)c1 903961204 PRAQUVMUFDFOQZ-CQSZACIVSA-N 281.783 3.754 30 20 CHED C#CCCCCC(=O)OCCCCC1(C#N)CCC1 909134992 GRYJZKBHRPTCPD-UHFFFAOYSA-N 261.365 3.587 30 20 CHED CCCNC(=S)Nc1cccc(C#Cc2ccccc2)c1 909557360 BXRARFFVCBPGLT-UHFFFAOYSA-N 294.423 3.783 30 20 CHED CCc1ccccc1NN=C1CCc2c(O)cccc21 915051256 BBARPVHDDWVYIS-UHFFFAOYSA-N 266.344 3.717 30 20 CHED CC(=NNC(=S)Nc1ccc(C)cc1)c1cccs1 915923364 NKCDYKMCQJBYHM-UHFFFAOYSA-N 289.429 3.767 30 20 CHED Brc1cccc(C=NNc2ccccc2)c1 916246094 ZMPHPGJJYIGBKY-UHFFFAOYSA-N 275.149 3.895 30 20 CHED CC(=NNc1ccccc1Cl)c1cccc(O)c1 916262259 GUPSQQAGCYKMCT-UHFFFAOYSA-N 260.724 3.882 30 20 CHED Cc1cc(C)c(NN=Cc2ccc([N+](=O)[O-])o2)c(C)c1 916339363 LCHOJOZAHPAINC-UHFFFAOYSA-N 273.292 3.559 30 20 CHED N#Cc1ccccc1SC[C@H]1CC1(Cl)Cl 917092749 ZPLGVHMLCHKWKD-SECBINFHSA-N 258.173 3.844 30 20 CHED Fc1ccc(C=NNCc2ccccc2Cl)c(F)c1 918152648 JGPCHVSYLFUQCT-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCCN1C[C@H](C)C[C@@H](C)C1 924687559 WDTWTMHDGRTHCM-ZACQAIPSSA-N 293.499 3.662 30 20 CHED C#CC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 925636881 FYAIQCCYZPIDIV-GDBMZVCRSA-N 254.377 3.669 30 20 CHED C=C[C@H](CC)CC(=O)N(CC)Cc1ccc(OC)cc1 929964260 XEZLJQZGGDPKQK-CQSZACIVSA-N 275.392 3.646 30 20 CHED CC(C)NC(=S)NN=C1CCCC[C@@H]1c1ccccc1 1115816836 JSBVAGRQPPMBOA-CQSZACIVSA-N 289.448 3.573 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1ccc(F)cc1F 1116488182 NTPRGCQHYFKTGL-RYUDHWBXSA-N 281.346 3.929 30 20 CHED C[C@@H]1CCC(=NNc2ccc(C(C)(C)C)nn2)C[C@H]1C 1116635312 SYCGAARZYOORIJ-VXGBXAGGSA-N 274.412 3.998 30 20 CHED C=C(CNC(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1 1117487106 LUDVLUUPESRHBQ-QZTJIDSGSA-N 298.430 3.922 30 20 CHED Cc1ccccc1CCC(=O)O[C@@H](CC#N)c1ccco1 1123370247 SRRPDEBMTTWMGN-INIZCTEOSA-N 283.327 3.719 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cccc(C)c2Cl)n1 1131018547 VYNKXLJBRRNLBO-UHFFFAOYSA-N 299.761 3.784 30 20 CHED C=CCn1c(SCC=C(Cl)Cl)nnc1C1CC1 1262186959 SMHHEDTUADROJO-UHFFFAOYSA-N 290.219 3.753 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2ccccc2n1 1262654509 JIRSTZOICZQHMV-HNNXBMFYSA-N 280.371 3.806 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(C)cc1C 1272902935 MURBDBPWUWRSGK-UHFFFAOYSA-N 292.338 3.630 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCC1CCCCCC1 1289299111 SXAHUQDGFDHQDR-OAHLLOKOSA-N 264.413 3.888 30 20 CHED COC(=O)c1ccc(S[C@H](C#N)Cc2ccccc2)cc1 1317772883 VPXWEKNYZBTMCV-INIZCTEOSA-N 297.379 3.700 30 20 CHED CCCc1ccc(C[S@](=O)CCCCC#N)cc1 1318852256 WYFZUBLMBLLQQM-GOSISDBHSA-N 263.406 3.582 30 20 CHED C[C@@H]1CCC[C@@H](OCc2nnc(-c3cccc(C#N)c3)o2)C1 1324183188 LQGZOEJKHWVEPW-IUODEOHRSA-N 297.358 3.704 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)OC1CCCCC1 1330987456 GAMMYMDZAKQVLD-ZDUSSCGKSA-N 267.413 3.585 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1coc2ccc(Cl)cc12 1339183421 CMSBLCKIMUUSIJ-NSHDSACASA-N 290.750 3.850 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1c(Cl)cc(F)cc1Cl 1339291111 NXJCKORNBXGVEQ-ZETCQYMHSA-N 289.137 3.507 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc([C@H]2CCOC2)cc1 1343440745 PLTQZFDWSHVQQP-HIFRSBDPSA-N 274.360 3.698 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)C=C(C)C)c1cccs1 1343896160 SMIPCJMTXDMVCY-FZMZJTMJSA-N 263.362 3.848 30 20 CHED CCCC[C@H](C(=O)[C@@H](C#N)c1cccc(F)n1)C(C)C 1344697933 KLZLVCDUXOTOTI-STQMWFEESA-N 276.355 3.859 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(COCC)cc1 1349672789 HMPWCWNCTDJCIP-UHFFFAOYSA-N 261.365 3.764 30 20 CHED C=C(C)CCC(=O)N1CCCCC[C@@H]1c1cccn1C 1357462422 GHNVSLMWZRJAHM-MRXNPFEDSA-N 274.408 3.825 30 20 CHED Cc1cc(CNCc2ccc(C#N)c(F)c2)ccc1Cl 1474579574 IVDWEZLLHXZBCC-UHFFFAOYSA-N 288.753 3.949 30 20 CHED CCc1cccc(NC(=O)[C@@H](CC#N)c2ccccc2)c1 1525293811 WBCXMERINACCHW-KRWDZBQOSA-N 278.355 3.885 30 20 CHED C[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)c1cccs1 1526994101 ZPSJPCBYCWWQIT-PWSUYJOCSA-N 275.329 3.643 30 20 CHED N#Cc1cccc2c1CCN2C(=O)C1(C2CCCCC2)CC1 1529513016 PNEIILRJQUYVNU-UHFFFAOYSA-N 294.398 3.808 30 20 CHED N#C[C@@H](CC(F)F)C1CCN(Cc2ccccc2)CC1 1537963562 SRUVIIGLMKPBDT-OAHLLOKOSA-N 278.346 3.694 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cc(C(=O)O)n(C)c2)cc1 1596058248 HMBQWWZHVZZHCG-YFHOEESVSA-N 297.354 3.572 30 20 CHED C[C@H](NC(=O)c1ccsc1Cl)c1cccc(C#N)c1 1597763905 CFURPDHLYHBJFE-VIFPVBQESA-N 290.775 3.764 30 20 CHED Cc1cc(C)cc(CNc2c(C#N)cccc2C#N)c1 1612640303 PCKFEHFOAMTQSN-UHFFFAOYSA-N 261.328 3.659 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc2scnc2c1 1627534302 HBDPHMIIEHIGJP-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C=C(Cl)CSc1nc(O)cc(-c2ccccc2)n1 1641450708 GVTMTWRAQZOVRY-UHFFFAOYSA-N 278.764 3.694 30 20 CHED COc1ccc(C#N)cc1CN(c1ccccc1)C1CC1 1654457909 HISDEVWGZPPRHE-UHFFFAOYSA-N 278.355 3.736 30 20 CHED C[C@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)CC1 1655382953 YRRLMKKYIYPAMV-CMPLNLGQSA-N 263.772 3.987 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)cc2)[C@@H]1C 1666946745 XJSAEHAWYUBNFX-NFAWXSAZSA-N 285.391 3.752 30 20 CHED N#Cc1ccc(F)c(NC(=O)N[C@H]2CC23CCCCC3)c1 1672122672 WJPFFWCOSOCBDV-AWEZNQCLSA-N 287.338 3.542 30 20 CHED O=C(O)c1cccc(NN=C2CCC3(CCC3)C2)c1 1776038271 AOHWAKYTMVOFEI-UHFFFAOYSA-N 258.321 3.507 30 20 CHED Cc1c(NN=C2CCc3c(F)cccc32)cccc1C(=O)O 1776086590 CQFVPOCDTLEOPZ-UHFFFAOYSA-N 298.317 3.595 30 20 CHED C=CCC1(CNc2ccc(C(=O)O)c(C)n2)CCCC1 1776164999 CYMGKMQPWNGEAA-UHFFFAOYSA-N 274.364 3.637 30 20 CHED O=C(O)c1cccc(NN=C2C3CC4CC(C3)CC2C4)c1 6673781 CZXTUSGVTSXDKH-UHFFFAOYSA-N 284.359 3.609 30 20 CHED Cc1cc(C#N)ccc1OCc1noc(-c2cccs2)n1 109063027 LXYZJRXGSTWOAA-UHFFFAOYSA-N 297.339 3.557 30 20 CHED C=CCOc1cccc(NC(=O)[C@H]2CC=CCC2)c1 55723145 NOJHRKWKSIPABX-ZDUSSCGKSA-N 257.333 3.546 30 20 CHED N#CCCCC[S@@](=O)c1ccc2ccccc2c1 108004618 XHEDWPTYQKMUPL-SFHVURJKSA-N 257.358 3.641 30 20 CHED N#CCCCC[S@@](=O)Cc1cccc2ccccc12 170978416 SLMZRAQMOOOQDP-LJQANCHMSA-N 271.385 3.782 30 20 CHED C=CCCC(=O)O[C@H](C)c1nc2ccc(Cl)cc2n1C 176027924 NMPLQLFKCKLAEH-SNVBAGLBSA-N 292.766 3.797 30 20 CHED C=C(C)CN(CC)C(=O)c1csc2c1CCCC2 55206357 UHYCVLJFKRMSFN-UHFFFAOYSA-N 263.406 3.665 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C)c(OC(F)F)c(C)c1 116859440 JWFDLZIYTNPDMP-LLVKDONJSA-N 283.318 3.599 30 20 CHED C=CC1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 111256582 OEYUDDAEOGIETN-OAHLLOKOSA-N 286.419 3.528 30 20 CHED C[C@@H](NCCCN(C)c1ccccc1)c1ccc(C#N)cc1 20826783 JGIRWTAJJJQXKO-MRXNPFEDSA-N 293.414 3.735 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H](C)c2ncc(C)s2)c1 175894905 UPZNDCYLGTWSKH-UJFYRASASA-N 290.388 3.736 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cc3cc(F)ccc3s2)C1 179931757 RIBVPFMBUVFXBB-BXKDBHETSA-N 289.331 3.889 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2cccnc2)c1 62166997 IHANSELMAVXCAB-CMDGGOBGSA-N 267.328 3.765 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1cccc(C#N)c1)C2=O 63411744 KVFCNIGXBPSIJD-SXGWCWSVSA-N 289.334 3.834 30 20 CHED C=CCC[C@@H](NCc1ccc(Cn2cccn2)cc1)C1CC1 178673541 QKIXXRYTKFGJTG-LJQANCHMSA-N 295.430 3.766 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc(-c3ccccc3)[nH]2)C1 179937939 CJYAVDFVONGQIU-OCCSQVGLSA-N 280.327 3.531 30 20 CHED CC(C)[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1C#N 301252434 AMINBJZAXMOWFT-LBPRGKRZSA-N 297.324 3.987 30 20 CHED COc1ccc(CCCC(=O)Nc2cccc(C#N)c2)cc1 61110781 MUTMVLMXQNXFKC-UHFFFAOYSA-N 294.354 3.528 30 20 CHED N#Cc1cc(F)cc(OCc2nc(Cl)ccc2Cl)c1 311445627 QTPQIZXNPQJMKE-UHFFFAOYSA-N 297.116 3.978 30 20 CHED CC(C)Oc1cccc([C@H](C)NC[C@@H](C#N)CCC#N)c1 112528249 FGEUUUYBXYYAKT-LSDHHAIUSA-N 285.391 3.568 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1ccccc1Cl 177938637 YPPKFQAVMYLPNO-GOSISDBHSA-N 283.824 3.919 30 20 CHED N#Cc1ccc(NCCc2cc3ccccc3[nH]2)c(F)c1 301728727 BYYBKJQZESSQTF-UHFFFAOYSA-N 279.318 3.833 30 20 CHED N#Cc1cccc(COc2cccc(NCC3CC3)c2)c1 178005359 LCOPCNRZQVWCJS-UHFFFAOYSA-N 278.355 3.959 30 20 CHED CCc1cccc(N/C(N)=N/[C@@H]2C[C@H]2c2cccc(F)c2)c1 170911226 JIDRGAPDGCOJND-DLBZAZTESA-N 297.377 3.671 30 20 CHED C=CCCCC(=O)Nc1ccc(CCN2CCCC2)cc1 175546869 YVJLZYATVDZZQN-UHFFFAOYSA-N 286.419 3.620 30 20 CHED N#Cc1ccc(NCc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 301060619 AMTDAQYWMBWGOL-UHFFFAOYSA-N 293.326 3.567 30 20 CHED C=C(C)CN(CC)c1nnc(Cc2ccccc2)s1 302084992 NBGROBCESQZBLG-UHFFFAOYSA-N 273.405 3.531 30 20 CHED C[C@H](C/N=C/c1cc2ccccc2nc1O)c1nccs1 182168980 HVLHUBBEDBTWDT-JDAJCMJVSA-N 297.383 3.620 30 20 CHED N#Cc1ccc(NC[C@@H](c2ccccc2)C(F)(F)F)nc1 302412998 IOEKHZPRSHSIMT-ZDUSSCGKSA-N 291.276 3.711 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccc(F)c(C#N)c2)c1F 213301864 MTOBMSUUNRJLEB-UHFFFAOYSA-N 290.244 3.536 30 20 CHED COc1ccc(CN(C)[C@H](C)c2ccccc2F)cc1C#N 125023006 YVVCXVKSHVEHPN-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccccc1 36461444 MUVQZOKHDAWSFV-UHFFFAOYSA-N 281.355 3.524 30 20 CHED N#CCSCCCSc1nc(-c2ccccc2)c[nH]1 75076161 USUPLSYMPHVJEF-UHFFFAOYSA-N 289.429 3.816 30 20 CHED C=CCC1(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)CCC1 189140081 VZXSSWZJPGAKPR-UONOGXRCSA-N 279.449 3.619 30 20 CHED N#CCCNC1(c2ccc(Br)cc2)CCCC1 411342514 SKNUOIDQYMHCRI-UHFFFAOYSA-N 293.208 3.722 30 20 CHED CCN(CC(C)C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419642651 NVGUONGZVGMZMY-QGZVFWFLSA-N 299.418 3.623 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sccc1-c1ccccc1 491524522 MKUNAKHGOILQKF-LBPRGKRZSA-N 269.369 3.509 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)c2cccs2)c1 78109940 NUMUNFUWZQBAAF-ZDUSSCGKSA-N 283.396 3.886 30 20 CHED C=CCOc1ccc(CN(C)[C@H]2CCSC2)cc1Cl 506219714 MYBAOPJYSHEDII-ZDUSSCGKSA-N 297.851 3.842 30 20 CHED C=C(CC)COc1c(NC(C)=O)c2cccc(C)c2n1C 419033360 WZILSTWUJYLHPI-UHFFFAOYSA-N 286.375 3.790 30 20 CHED Cc1oc2ccccc2c1CNc1cccc(C#N)n1 184127737 GUTPWEHBLJOKNG-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@@H](CC)C1)c1ccccc1 188507673 JCUFYNGFOLQHPS-GDBMZVCRSA-N 257.377 3.605 30 20 CHED C[C@@H](Sc1nncn1C(C)(C)C)c1cccc(C#N)c1 189843915 MNSMAOWQRMSHJP-LLVKDONJSA-N 286.404 3.758 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1scc(C(C)(C)C)c1C#N 410919838 ANHVCDIEVNOVOH-UWVGGRQHSA-N 276.405 3.902 30 20 CHED CCCCCCCC(=O)N1CCCC[C@@H]1c1cc[nH]n1 285881819 CHWKICBHOBAGMA-OAHLLOKOSA-N 277.412 3.824 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H]1C[C@@H]2CC[C@@H]1C2 180205512 VKXLOLRHYNFDMY-BHPKHCPMSA-N 256.349 3.578 30 20 CHED Cc1cc(C)c(NC(=O)c2cccc(CC#N)c2)c(C)c1 42192241 CJOSKVINYBVHJC-UHFFFAOYSA-N 278.355 3.930 30 20 CHED Cc1cc2cc(NC(=O)Nc3ccc(C#N)cc3)ccc2[nH]1 47955192 FXIBVJVIQIOOLW-UHFFFAOYSA-N 290.326 3.992 30 20 CHED CN(Cc1cccc(O)c1)c1cc(Cl)ccc1C#N 527039927 TXVBYFTUHSRDCW-UHFFFAOYSA-N 272.735 3.554 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc2ccccc2c1O 320331881 ZGEVSQQFBSXULG-DZGCQCFKSA-N 285.387 3.523 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 410834001 IWSSQMPCSWIJNZ-ZJIFWQFVSA-N 276.424 3.744 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OCC)cc1F 417452115 BWBVLJBJCVFDCP-UHFFFAOYSA-N 280.343 3.702 30 20 CHED C=C[C@@H](CC(=O)Oc1ccc(C#N)cc1)c1ccccc1 136207212 VPNHIIHNRXAWDL-HNNXBMFYSA-N 277.323 3.824 30 20 CHED CCOc1ccccc1OCCSCCCC#N 190959401 CMTGZSWRCNMUQW-UHFFFAOYSA-N 265.378 3.501 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1ccc(Cl)cc1 192760586 UWUXIRRXHITKJD-BQYQJAHWSA-N 261.708 3.841 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(C#N)cc1Cl 225782973 FGVCIYLBNYFACY-SECBINFHSA-N 250.729 3.586 30 20 CHED C=CCOCCCC(=O)N[C@H](CC)c1cc(F)ccc1F 80429902 JEIQFGUJEQGWAU-OAHLLOKOSA-N 297.345 3.515 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N[C@H](C#N)C(C)(C)C 85439949 DLSIZZRPLWDHNF-GXTWGEPZSA-N 264.413 3.647 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)Cc2ccc(C#N)cc2)cc1 194731752 GAPCOROTQZQICE-OAHLLOKOSA-N 292.382 3.629 30 20 CHED C[C@H](SCc1ccc(C(N)=O)cc1)c1cccc(C#N)c1 190781784 NCLXYLVZZAEBFL-LBPRGKRZSA-N 296.395 3.652 30 20 CHED C[C@@H]1CC[C@@H](N(C)CC#Cc2ccc(Cl)cc2)C1 429558372 FEICLPCHMHMYRZ-CZUORRHYSA-N 261.796 3.812 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2cccc(F)c2)cc1 49900982 MYNDQTQOOQXNSA-QGZVFWFLSA-N 296.345 3.725 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1/N=C(/O)Cc1ccc2c[nH]nc2c1 329271281 HZJBIBLHIHKRCK-XUJVJEKNSA-N 285.391 3.887 30 20 CHED C[C@H](NC(=O)C#Cc1ccccc1)c1cc2ccccc2o1 80496836 PDCSHHLVFFFNRR-AWEZNQCLSA-N 289.334 3.662 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 424978412 PGRJBJFFZDJALC-DOTOQJQBSA-N 284.403 3.551 30 20 CHED N#CCCCSCCOc1ccc(Cl)c(F)c1 191087609 VZXJAPYGONFTRU-UHFFFAOYSA-N 273.760 3.895 30 20 CHED C#CCCCC(=O)NCc1ccc(C)cc1O[C@H](C)CC 192150880 LWVMFXWUTZCIOA-OAHLLOKOSA-N 287.403 3.592 30 20 CHED Cc1c(F)cccc1C(=O)N(CCC#N)CCC(C)C 421758532 ALVABIJLUPQGRN-UHFFFAOYSA-N 276.355 3.536 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 424731779 GNOZWKYPRWKODR-UHFFFAOYSA-N 287.281 3.952 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccc(C(C)C)cc1 516245748 YSRIUFUYAIIEQE-UHFFFAOYSA-N 272.392 3.694 30 20 CHED CC(C)(C#N)CCCOc1ccc(C#N)c(Cl)c1 190267893 IZWJYAXVLOZKCM-UHFFFAOYSA-N 262.740 3.920 30 20 CHED CC(C)(C(=O)NCC1(C#N)CC1)c1cccc2ccccc12 519578872 KMMYNNWVPFUCHR-UHFFFAOYSA-N 292.382 3.537 30 20 CHED CSc1cc(O)ccc1NC(=O)C1(C#N)CCCCC1 191548429 GGXIWQRWYFCZCR-UHFFFAOYSA-N 290.388 3.527 30 20 CHED C[C@@H]1CN(C(=O)CC(C)(C)C#N)CC[C@@H]1c1ccccc1 336557348 KWKOVRAZYSDMIA-ZBFHGGJFSA-N 284.403 3.578 30 20 CHED C=CCN(C)CC(c1ccccc1)c1ccccc1 512705274 GTKOJBKLLFYQKG-UHFFFAOYSA-N 251.373 3.936 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 519801237 DIJVOWRLWACTSZ-FRFSOERESA-N 276.424 3.791 30 20 CHED Cc1ccc(CN(C)C)cc1NCC(C)(C)CCC#N 92172677 OEQRIJIWVJYKNJ-UHFFFAOYSA-N 273.424 3.799 30 20 CHED N#Cc1ccccc1CN1CCC[C@@H](CC(F)(F)F)C1 420952203 RTQYJMWHMSAMQE-LBPRGKRZSA-N 282.309 3.723 30 20 CHED C=C(CNC(=O)N(CCC(C)C)C1CC1)c1ccccc1 512674038 UZEJSNMOHRAZFJ-UHFFFAOYSA-N 286.419 3.920 30 20 CHED C[C@H](CC#N)N(C)Cc1ccccc1OCc1ccccc1 93090797 CWWHQKRLLWXGND-MRXNPFEDSA-N 294.398 4.000 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1C 421551944 AXQRBEUVFZSMQW-UKRRQHHQSA-N 295.386 3.893 30 20 CHED CC(C)N(C(=O)c1cc(C#N)ccc1Cl)C1CCC1 335440736 QITSFKJNEHKRDV-UHFFFAOYSA-N 276.767 3.615 30 20 CHED CCCc1csc(CNc2cc(C#N)ccc2OC)n1 426368189 XQZWUKCAQIQSIP-UHFFFAOYSA-N 287.388 3.588 30 20 CHED CC(C)(C#N)CNC(=O)N1CCC[C@H](c2ccccc2)CC1 512922022 FUGLWSPACJHDHG-INIZCTEOSA-N 299.418 3.515 30 20 CHED C=C(C)COCCN[C@H]1CC2(CCC2)Oc2ccccc21 90451463 UBHNYKCOUFWQII-INIZCTEOSA-N 287.403 3.615 30 20 CHED Cc1nc(CSc2ccc(C#N)cc2F)oc1C 336012596 KABODOCIGCJMFG-UHFFFAOYSA-N 262.309 3.595 30 20 CHED CC[C@H](C)C[C@@H](C)/N=C(/O)c1coc(C2CCOCC2)n1 330406947 GFODIWGJTKDXOM-NWDGAFQWSA-N 294.395 3.698 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2cccc(C#N)c2)CC12CCCC2 333781988 BWBZMCCXBDRYOX-INIZCTEOSA-N 297.402 3.991 30 20 CHED C=CCOCCN[C@H](CC(F)(F)F)c1ccccc1C 339128863 BNFRBLYKTRGCNG-CQSZACIVSA-N 287.325 3.781 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H]1CCCCN1C1CC1 433804045 OTTGVONVLLDWID-HNNXBMFYSA-N 289.810 3.640 30 20 CHED C=CCC[C@H](CC)Nc1cc(COC)cc(C(=O)OC)c1 430211716 YEHHERKBEPAKOG-HNNXBMFYSA-N 291.391 3.776 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCOC(C)C 438305918 QYZCWVWKBXPMIG-UHFFFAOYSA-N 264.365 3.536 30 20 CHED N#C[C@H]1CC[C@H](NCc2cc3ccccc3s2)C1 335912738 HPRLQFUDCMSBJX-AAEUAGOBSA-N 256.374 3.683 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2Cl)C1 335051021 MPIDQUZJSPKZTD-WCBMZHEXSA-N 298.173 3.807 30 20 CHED CC(C)(C)OC1CC(CCNc2c(C#N)cccc2C#N)C1 436376885 JXPSPSBSRZQHKN-UHFFFAOYSA-N 297.402 3.826 30 20 CHED C=CCOCCN[C@@H](CC(F)(F)F)c1ccccc1C 339128862 BNFRBLYKTRGCNG-AWEZNQCLSA-N 287.325 3.781 30 20 CHED CC[C@H]1CCCCN1C(=O)[C@@H](C#N)CCc1ccccc1 433103513 LKSAFIPPSDKQRW-SJORKVTESA-N 284.403 3.550 30 20 CHED CCN(C(=O)CC(F)(F)F)c1ccc(C#N)c(Cl)c1 91206108 VAOJBZFTGSDHGD-UHFFFAOYSA-N 290.672 3.517 30 20 CHED C=CCc1cc(CN(C)[C@@H]2CC[C@H](C)C2)cc(OC)c1O 433042328 FYDOMXVHLQABIO-XJKSGUPXSA-N 289.419 3.750 30 20 CHED C=CCN(CC=C)C(=O)Cc1c[nH]c2cccc(Cl)c12 431274991 ORZKAQDREJDPNC-UHFFFAOYSA-N 288.778 3.564 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)c1ccc(C#N)cn1 521097705 MBKRGDFOAZFQBJ-AWEZNQCLSA-N 287.407 3.774 30 20 CHED CC#CCCS[C@@H](C)c1cc(C(=O)OC)c(C)o1 431098515 CUUXHIVIOQVWIH-NSHDSACASA-N 266.362 3.582 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 523944757 MLWQJSBRSGZJCW-XJKSGUPXSA-N 290.382 3.507 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 345119111 BXNBVKZQNJMTGL-UHFFFAOYSA-N 269.348 3.722 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1ccccc1)Cc1ccccc1F 344878185 PMVQHZBTESKHHF-AWEZNQCLSA-N 296.345 3.514 30 20 CHED CC[C@H](C#N)OC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 247079831 XNRSYVSHRWUOFG-AGIUHOORSA-N 298.169 3.942 30 20 CHED CCC[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)C(C)C 245768246 JWNUSZABTFSFAM-YCPHGPKFSA-N 264.413 3.647 30 20 CHED C[C@H](CN(C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 437579717 OTWMXEFHQGFDIW-CQSZACIVSA-N 282.362 3.933 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 439978225 ITZNHGJUWDRLRL-RDJZCZTQSA-N 288.435 3.922 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC)c1cc(Cl)ccc1OC 341878276 MUZHVGXCHBIPPM-DOMZBBRYSA-N 297.826 3.574 30 20 CHED C=C(C)CN(C)C(=O)c1cc(F)c2ccccc2c1 345735778 LERTUIIFVJPFFI-UHFFFAOYSA-N 257.308 3.627 30 20 CHED N#Cc1cccc(NC(=O)c2cc3occc3s2)c1 609852517 FTKGWEZUZORGKR-UHFFFAOYSA-N 268.297 3.618 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 342962391 WTEKXOKJKBLYKA-VXGBXAGGSA-N 290.411 3.818 30 20 CHED C=CCCCS[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 609804775 HPENSNGEWKELES-HUUCEWRRSA-N 291.460 3.994 30 20 CHED COc1ccc(CN(CC2(C#N)CC2)[C@H](C)C2CC2)cc1 343144801 AWHUPOQZBKMRIN-CQSZACIVSA-N 284.403 3.599 30 20 CHED CC(C)(C)Oc1cccc(CNc2ccc(F)cc2C#N)n1 348110594 XRIGXULDCYEVTO-UHFFFAOYSA-N 299.349 3.882 30 20 CHED CC(=O)Nc1ccc(C)c(NCc2cccc(C#N)c2F)c1 341795486 AZVJZSWDKDQKGU-UHFFFAOYSA-N 297.333 3.576 30 20 CHED C=C[C@H](C)NC(=O)N1CCC(c2ccc(F)cc2C)CC1 431294388 YWWZUKHKDPHIRP-ZDUSSCGKSA-N 290.382 3.598 30 20 CHED C[C@H](NCC12CCC(CC1)C2)c1ccc(C#N)c(F)c1 346203921 RZBFXXCBPWNSAQ-POZPTJLLSA-N 272.367 3.928 30 20 CHED Cc1c(C(=O)N[C@H](C#N)CC(C)C)oc2ccc(F)cc12 608822190 ZALUHOJGTPTDPN-LBPRGKRZSA-N 288.322 3.548 30 20 CHED N#CCc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 340060015 AIHOQCGPFSHSPC-UHFFFAOYSA-N 293.351 3.615 30 20 CHED CC[C@H](N[C@H](C)[C@@H]1CCCCO1)c1ccc(C#N)cc1 447590466 CSWQTDGWNRCLMT-COXVUDFISA-N 272.392 3.557 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C[C@H]1C[C@H]1c1ccccc1 341154364 XZEDDQRSZJWJCB-SJORKVTESA-N 298.430 3.969 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1OC 255148265 IYOCRBBUGPPIGY-UTCJRWHESA-N 299.351 3.533 30 20 CHED CCOc1ccc(C=NOCc2ccccc2)cc1OC 250507384 GAKWGFOFXFPHKQ-UHFFFAOYSA-N 285.343 3.645 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 442781628 NDPBTUULNJLZOY-XQHKEYJVSA-N 274.330 3.637 30 20 CHED Cc1nc(CCOc2cc(Cl)cc(C#N)c2)cs1 352173741 FOMJXBAFALCFNI-UHFFFAOYSA-N 278.764 3.598 30 20 CHED C=CCC(C)(C)CNC(=O)C1(c2cccnc2)CCCC1 352539478 BCOQZKUFMPSDLD-UHFFFAOYSA-N 286.419 3.612 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCc1coc2ccccc12 602556814 NCQGZMDSRFQMFF-CQSZACIVSA-N 298.386 3.621 30 20 CHED C[C@H](CCC#N)CNC[C@@H]1CCCC[C@@H]1C(F)(F)F 602564675 BRAGXQRSBDDCAY-AGIUHOORSA-N 276.346 3.885 30 20 CHED C=C(C)CCNC1CCN([C@@H]2CCC[C@@H](C)C2)CC1 449480773 ZPDWINOLCCIGOB-NVXWUHKLSA-N 264.457 3.585 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[C@H](C)C1 538286633 GQQPUHHZDGEVOB-IHRRRGAJSA-N 252.402 3.609 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(Cl)s1 538605007 ONIJSNLDBOCTCO-SECBINFHSA-N 272.801 3.555 30 20 CHED C[C@H](CC#N)N(C)CCCc1c(F)cccc1Cl 447746935 QZYJMFJPTBZZAK-LLVKDONJSA-N 268.763 3.646 30 20 CHED CCCN(CCCC#N)[C@H]1C[C@@H](OCC)C12CCCC2 354462100 RJOSHKXURGMECW-JKSUJKDBSA-N 278.440 3.740 30 20 CHED Cc1nc(-c2nc([C@H](C)c3cccs3)no2)ccc1C#N 357007548 YQYKOHHWYBOHQG-SECBINFHSA-N 296.355 3.525 30 20 CHED Cc1cc(Cn2cc(-c3ccccc3)cn2)ccc1C#N 447299620 SFTXQJXGUMFESK-UHFFFAOYSA-N 273.339 3.779 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)c2ccccc2F)C1 617784068 MQQOBJHKGRFFJH-KGLIPLIRSA-N 275.367 3.744 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCCc2ccc(F)cc21 354242666 UWFYIMLFIPASLF-INIZCTEOSA-N 290.382 3.859 30 20 CHED CCN(C)C(=O)c1cccc(NC2CCC(C)(C#N)CC2)c1 449318195 FRRDNMMRRFFRTB-UHFFFAOYSA-N 299.418 3.663 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1ncc(C#N)cc1Cl 610280159 CUVQSXFMMZDOCD-GOEBONIOSA-N 283.762 3.749 30 20 CHED CCCC(CCC)C(=O)N[C@@H](C)c1cccc(C#N)c1 611073001 IQSOUAGDLDWWSY-ZDUSSCGKSA-N 272.392 3.952 30 20 CHED C=CCOc1cccnc1-c1nc([C@H](C)SCC)no1 357333566 UQLJWXFPNNRTGX-JTQLQIEISA-N 291.376 3.511 30 20 CHED C=CC(C)(C)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 448860033 NMHBHYAWEVORPK-UHFFFAOYSA-N 289.394 3.819 30 20 CHED N#CCC(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl 357140286 KQXZSDGVXMBVLB-CQSZACIVSA-N 290.794 3.567 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 531081460 NKURMZGMFMVMJM-JYAVWHMHSA-N 285.391 3.813 30 20 CHED C[C@H]1C[C@@H](C)CN(C[C@H](C)N[C@H](C)c2cccc(C#N)c2)C1 537296357 YTZPOIFGYLDJJB-VVLHAWIVSA-N 299.462 3.575 30 20 CHED C[C@@H](Nc1cccnc1C#N)c1cc2ccccc2o1 357330420 OEJRSWFXLMPPER-LLVKDONJSA-N 263.300 3.873 30 20 CHED C[C@@H]1[C@@H](Cc2ccccc2)CCN1CCCSCC#N 266912270 DPRFMNYGFWPSPC-NVXWUHKLSA-N 288.460 3.586 30 20 CHED N#C[C@@H](NC(=O)C=C1CCC1)c1c(Cl)cccc1Cl 267981835 LLCLTMJPICZPPL-GFCCVEGCSA-N 295.169 3.785 30 20 CHED CC(C)Cn1cc(N[C@@H]2CCc3ccc(C#N)cc32)cn1 353683281 ZDCCEXAHHIXGRZ-QGZVFWFLSA-N 280.375 3.510 30 20 CHED Cc1cccc2c1CC[C@H]2N=c1c(C#N)c[nH]c2ccccc12 610278881 LSVCSDRNYNBKDC-LJQANCHMSA-N 299.377 3.936 30 20 CHED C=CCCCCNC(=O)c1cc(C)oc1C(F)(F)F 274462350 KDLLTCUDXBSWFR-UHFFFAOYSA-N 275.270 3.693 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)C1CC1 540127565 NICQSDAWOMGZGW-GXTWGEPZSA-N 264.413 3.561 30 20 CHED CCC[C@H](CC)SCC(=O)Nc1sccc1C#N 279841503 DAIXGVUKLCMDKT-NSHDSACASA-N 282.434 3.870 30 20 CHED CCc1cccc(Cl)c1CNCC(C)(C)C#N 616136052 AEPYWFPYWNVSGO-UHFFFAOYSA-N 250.773 3.542 30 20 CHED C=CCOc1ccc(-c2nc(C3CC(F)(F)C3)no2)cc1 453198673 QYJCSJZKFYZEAA-UHFFFAOYSA-N 292.285 3.814 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(C#N)c(Cl)c1 548610967 LKORSXCYZYWHJP-QWRGUYRKSA-N 290.794 3.766 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 363571515 ORWRLNGYSCQKAX-HNNXBMFYSA-N 291.439 3.866 30 20 CHED C#CCCCC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 277175590 GDIAEPUPISWQBO-UHFFFAOYSA-N 295.382 3.610 30 20 CHED C=CCC1(C(=O)NCc2ccc(C)cc2OC)CCCC1 450102145 FTEYBLAYKXCOOQ-UHFFFAOYSA-N 287.403 3.756 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 455316793 WDUNJQYVUPZBKS-GDBMZVCRSA-N 272.392 3.540 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCO[C@@H](C)CC(C)C)c1 456975269 YTPQEXPVXQOUJR-AWEZNQCLSA-N 288.391 3.647 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1=CC[C@H](C)CC1 455143832 RBCQGOOOZKDNHZ-HNNXBMFYSA-N 294.398 3.819 30 20 CHED CC[C@@H](NC[C@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 453319052 NCCUVLFGKHRBLF-FUHWJXTLSA-N 298.430 3.948 30 20 CHED CC(C)(C#N)CCN[C@@H](c1ccccc1)c1nccs1 272044145 RRBPUGKMXZLTHP-AWEZNQCLSA-N 285.416 3.762 30 20 CHED C=CCOCCCC(=O)Nc1ccc(/C=C\C)cc1 360320781 WLUHOQOMHAKETD-UTCJRWHESA-N 259.349 3.641 30 20 CHED C=CCCCC[C@H](C)NCC[C@H]1C[C@H]2CC[C@H]1O2 459660174 DQTKFRSRVDSVGY-CAOSSQGBSA-N 251.414 3.669 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1ccc(F)c(C#N)c1 469079790 YDBKSJNKXUOKEX-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)c1cccnc1NC(=O)c1ccc(Cl)c(C#N)c1 543691084 MEQSNDCQBHTBCE-UHFFFAOYSA-N 299.761 3.982 30 20 CHED Cc1ccccc1-c1nnc(S[C@@H]2CC[C@@H](C#N)C2)n1C 278526411 HOFAQWVVNUQXHX-CHWSQXEVSA-N 298.415 3.575 30 20 CHED CCS[C@@H](C)c1noc(-c2ccc(/C=N/OC)cc2)n1 274007330 RSCDVBQTVOJTGA-CNOAHFENSA-N 291.376 3.531 30 20 CHED Cc1cccc(C(=O)N[C@](C)(C#N)C(C)(C)C)c1Cl 274355415 SAICAQWDBDMCJZ-OAHLLOKOSA-N 278.783 3.707 30 20 CHED Cc1cccc(NC2CCN([C@@H](C)CCC#N)CC2)c1 276339029 SUNCZGJHOYNOBG-HNNXBMFYSA-N 271.408 3.564 30 20 CHED N#Cc1cccc(CCN[C@H]2CCC[C@H](C(F)(F)F)C2)c1 466426917 UFVKPILYFPIMLW-GJZGRUSLSA-N 296.336 3.811 30 20 CHED CCCCCCCC(=O)N1CCCC2(CCN(C)CC2)C1 374163382 TUTBITGOGBUHLQ-UHFFFAOYSA-N 294.483 3.681 30 20 CHED CCN(c1ccc(NC(=O)[C@](C)(C#N)CC)cc1)C(C)C 285495757 PDXCDBSGGXVPJG-KRWDZBQOSA-N 287.407 3.800 30 20 CHED CCc1cc(C#N)c(NC(=O)c2c(C)coc2C)s1 288193513 BPWAQVXSPFULDH-UHFFFAOYSA-N 274.345 3.644 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(C)(C)C#N)cc1 281056087 KUZMUSBDFKDYBZ-HNNXBMFYSA-N 270.376 3.572 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OCC2CC2)cc1 466385349 DKRKQCIJHRUFMU-MRXNPFEDSA-N 259.393 3.920 30 20 CHED CC#CCCN1CCC[C@@H](Oc2ccccc2Cl)C1 462357741 UEQLEWQGJRXZLQ-CQSZACIVSA-N 277.795 3.597 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2cccc(Cl)c2n1C 467923713 ZPZHEALOOIWZBZ-OAHLLOKOSA-N 291.782 3.768 30 20 CHED C=CCOCCCC(=O)N(CC)[C@H](CC)c1ccccc1 463574360 IXUCFXSTQMHQST-QGZVFWFLSA-N 289.419 3.969 30 20 CHED CC#CCCCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 466642210 PHAXLIBTXLDEIL-UGSOOPFHSA-N 287.378 3.759 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CCCCC23CCCC3)cc1 387231414 HNRLTLJQDFTQRX-INIZCTEOSA-N 282.387 3.791 30 20 CHED Cc1cc(C)c(C(=O)COc2ccc(C#N)c(F)c2)c(C)c1 387930284 CRHYBEROLQMTEK-UHFFFAOYSA-N 297.329 3.884 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@H](F)CC1CCCCC1 805278637 GZQRWTXFBPQPHE-CQSZACIVSA-N 282.403 3.741 30 20 CHED C=CCCOC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 805664144 LXCWZKDVTKINNF-UHFFFAOYSA-N 286.327 3.606 30 20 CHED C#Cc1ccc(CN(Cc2ccco2)C(C)C)cc1 809544492 KFLQPKFOHOZMAA-UHFFFAOYSA-N 253.345 3.672 30 20 CHED C=CCCCCCCNC(=O)N(C)C(C1CC1)C1CC1 806003947 PXCUVFFFHAGPBU-UHFFFAOYSA-N 278.440 3.953 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccccc1)CC1CCC1 472746198 FUSUZCJHTDLBID-GOSISDBHSA-N 273.420 3.616 30 20 CHED Cc1ccc(C2=CCN(c3cc(C)nc(C#N)c3)CC2)cc1 804336579 NMMKMGUZSXGCAK-UHFFFAOYSA-N 289.382 3.864 30 20 CHED Cc1csc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 295270400 IDESWKKXNFVUBW-AWEZNQCLSA-N 284.384 3.831 30 20 CHED N#Cc1ccc(COC(=O)c2sccc2Cl)c(F)c1 803770270 LBLQELFCSZJNBQ-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)/C=C/c2ccc[nH]2)s1 802249614 CJLIFQWHBFIBQR-NNNHXZLVSA-N 299.399 3.658 30 20 CHED C=CCCCCCCNC(=O)Cc1cc(F)c(F)cc1F 805219936 BOKSOGGDUOOFCX-UHFFFAOYSA-N 299.336 3.899 30 20 CHED N#Cc1nc(N2CC[C@@H]3CCCC[C@@H]32)ccc1C(F)(F)F 564080042 VKUNWBCQCIDTKW-GWCFXTLKSA-N 295.308 3.741 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(OC(C)C)cc1 644961252 VTISBQQFBAWYKY-UHFFFAOYSA-N 275.392 3.806 30 20 CHED C=CCCCCCCNCc1nccn1CC(F)(F)F 290216321 WMRPJRRJMZDEHZ-UHFFFAOYSA-N 289.345 3.672 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccnn2CCCC)cc1 642310792 XUYFBCSGXCZIEN-UHFFFAOYSA-N 299.374 3.500 30 20 CHED C=CCCCCCCNC(=O)CC[C@H]1CC[C@@H](C)O1 805219591 QHFUTSPPFVKLDY-HUUCEWRRSA-N 267.413 3.587 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 475128840 KOUKRPLVXVOXBV-UXLLHSPISA-N 286.419 3.614 30 20 CHED C=CCc1cc(OCC)ccc1OC(=O)/C=C\c1ccc[nH]1 802036908 JZXSVJJROQOAJL-FLIBITNWSA-N 297.354 3.761 30 20 CHED N#CCCCCCC(=O)OCCCc1ccccc1 805696834 LDDCCYRGZKWRDS-UHFFFAOYSA-N 259.349 3.636 30 20 CHED CC(C)(CC#N)CSc1nc2cc(F)c(F)cc2[nH]1 569140786 NUGKYBCCBTXEEA-UHFFFAOYSA-N 281.331 3.873 30 20 CHED C=CCSCCNC[C@H](C)c1cccc(Cl)c1 470358639 DYAZSGHBUJCFAW-LBPRGKRZSA-N 269.841 3.952 30 20 CHED CCSCC(=NNc1cccc(F)n1)c1ccccc1 807986993 CCFDFHSWRKUNIV-UHFFFAOYSA-N 289.379 3.790 30 20 CHED C#C[C@@H](C)NCc1ccc(-c2ccccc2Cl)o1 809684330 YSYHGKZUVDYGGV-LLVKDONJSA-N 259.736 3.711 30 20 CHED C=CCCCCCCNC(=O)N(CC)C1CCC1 807572533 KKZBZKQYIPGQLZ-UHFFFAOYSA-N 252.402 3.707 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 805347268 HMBPZQDFBNWEDQ-ZWKOTPCHSA-N 298.430 3.550 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(OCc3cscn3)c2)C1 562525273 YYBDBCHRRJMSLF-OCCSQVGLSA-N 299.399 3.826 30 20 CHED Clc1ccc(NN=Cc2ccc3oncc3c2)cc1 814683784 PULXWPSCCIXGLQ-UHFFFAOYSA-N 271.707 3.927 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccncc2)c(C)n1CC(C)C 819815499 RXFINPHSKJFEAL-HNNXBMFYSA-N 298.434 3.841 30 20 CHED CCCC(=NNc1cc(Cl)ccn1)c1cccnc1 814897907 GHUBWKPYGSAEML-UHFFFAOYSA-N 274.755 3.746 30 20 CHED C=C[C@@H]1CCCCN1Cc1coc(-c2ccc(OC)cc2)n1 489430440 QRTIIFGBFZIBTE-MRXNPFEDSA-N 298.386 3.891 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(CC)nc1 565271232 NCAPZVIATIWGGQ-UHFFFAOYSA-N 280.415 3.875 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC[C@@H](O)c1ccc(Cl)cc1 813884856 MBFSEKZHTZVDLP-LALPHHSUSA-N 267.800 3.564 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nn2cc(C)nc2s1 480554460 MMFUYGUJYCYGDJ-UHFFFAOYSA-N 298.415 3.682 30 20 CHED C=CCCCCCN[C@@H](CC(=O)N(C)C)c1ccccc1 488149590 MGAHTCKBXPACKR-KRWDZBQOSA-N 288.435 3.542 30 20 CHED C=CCC[C@H](CC)NCc1cccnc1N1CCCC1 658101479 QVPHQWFHYSCBFR-INIZCTEOSA-N 273.424 3.516 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 815709069 PXFPUZKCOIQHGH-HNNXBMFYSA-N 295.373 3.986 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(Cl)cc1OCC 487587267 DUKCNSRGGXPGHU-UHFFFAOYSA-N 295.810 3.957 30 20 CHED CCCC(=NOCC1CC1)c1cccc([N+](=O)[O-])c1 814242100 SSEBKQFKABURTR-UHFFFAOYSA-N 262.309 3.526 30 20 CHED CC(C)CN(CC(C)C)C(=O)Nc1ccc(F)c(C#N)c1 481742166 MYCBEXDBJJQVPR-UHFFFAOYSA-N 291.370 3.843 30 20 CHED C=CCC[C@@H](C(=O)N=c1cc[nH]cc1CC)c1ccccc1 488815074 AVOUMBNQCBRODG-QGZVFWFLSA-N 294.398 3.754 30 20 CHED CC(C)(C#N)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C 718004370 CLDCAOHWFQHQSS-HOTGVXAUSA-N 286.419 3.510 30 20 CHED CSc1ccc(C=NNc2ncccc2C)s1 814911551 NLTTXYVMPIFSBM-UHFFFAOYSA-N 263.391 3.619 30 20 CHED CC(=NOCc1ccccc1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814791405 GLKINZMDMVAWDS-CABCVRRESA-N 289.375 3.716 30 20 CHED COCC(=NNc1ccc(C#N)cc1)c1ccc(Cl)cc1 814802990 FMNZQRDEZGOSAO-UHFFFAOYSA-N 299.761 3.674 30 20 CHED Cc1cc(NN=C2CC[C@H](c3ccccc3)C2)ncn1 814845975 BFRGPGYVNRDDSK-AWEZNQCLSA-N 266.348 3.521 30 20 CHED N#Cc1cc(F)cc(OCc2ncc(-c3ccccc3)o2)c1 577318031 UPLHPWKWRVYKRM-UHFFFAOYSA-N 294.285 3.931 30 20 CHED CC[C@H](O)CNN=Cc1sc2c(Cl)cccc2c1C 814935719 QNISVIOCHNKUFJ-JTQLQIEISA-N 296.823 3.558 30 20 CHED CCC[C@@H](/N=C\c1cccc(OC)c1O)c1ccccn1 729150896 ZNOXONGWWFECLE-VCRXTVNUSA-N 284.359 3.756 30 20 CHED Cc1ccnc(NN=C2CC[C@@H]3CNc4cccc2c43)c1 814868020 SZNFOBPYGIGMIS-GFCCVEGCSA-N 278.359 3.509 30 20 CHED C=CCOc1cccc(CNC2CC3(CCC3)C2)c1 652041769 QLKJGIGAFIXMMM-UHFFFAOYSA-N 257.377 3.674 30 20 CHED Cc1ccc(CNC(=O)CC2(C#N)CCCCC2)cc1F 820086433 CYTQAILSGLBXKJ-UHFFFAOYSA-N 288.366 3.615 30 20 CHED C=CCCCC(=O)Nc1cc(Br)cc(OC)c1 498778358 VIUZQFFXJNTNJE-UHFFFAOYSA-N 298.180 3.753 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 491231607 UTVSLFZFXOSDJR-UWVGGRQHSA-N 299.201 3.718 30 20 CHED C[C@@H](CCC1CCCCC1)Nc1cc(C#N)ncn1 578301322 FTDUGCQMNJYRNB-LBPRGKRZSA-N 258.369 3.509 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nnc(-c3ccccc3)s2)C1 829159314 PVYUGMAOFRBDSL-CMPLNLGQSA-N 287.413 3.989 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC)Cc1ccc(F)cc1 665498880 RDWWNSBRJWJMLN-INIZCTEOSA-N 290.382 3.530 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@@H](C)c2ccccc2)cc1 728713184 STXNUPBHGRJXLZ-CVEARBPZSA-N 294.398 3.871 30 20 CHED C=CCN(C)C(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 490039012 BUSQUHDDIZRKSQ-AWEZNQCLSA-N 275.392 3.530 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)CCCCCC#N)cc1 588278850 YIDVXJMGOOYXQV-OAHLLOKOSA-N 272.392 3.989 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1cncn1C(C)C)C2=O 901484958 ARFJMDXBIZQZCT-NTEUORMPSA-N 296.370 3.821 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC[C@@H]1CC1(Cl)Cl 820539204 NFNIZEQOEKYIDL-KOLCDFICSA-N 265.180 3.716 30 20 CHED C=CC[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 735076231 KOFRYNUGNXBVFD-QMMMGPOBSA-N 263.322 3.581 30 20 CHED C/C(=C/C(=O)OCC1(C#N)CCC1)c1ccccc1Cl 588477976 SCDOUIQNDLCHBJ-XFXZXTDPSA-N 289.762 3.980 30 20 CHED Cn1cncc1/C=C1\CCCc2ccc(Cl)cc2C1=O 901477380 PGCSZZNWSHXTEP-KPKJPENVSA-N 286.762 3.676 30 20 CHED C=CCC1(NC(=O)Nc2c(C)cnn2CC)CCCCC1 667803351 IVJYFJYCHUPXNP-UHFFFAOYSA-N 290.411 3.612 30 20 CHED C=CCC[C@@H](N[C@@H](CC)Cc1ccc(Cl)cc1)C(=O)O 901689956 JZLWMPSKVNBZDR-LSDHHAIUSA-N 295.810 3.670 30 20 CHED C=C[C@@H](CC)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 820330533 GPOSXOXXCWPLRX-LBPRGKRZSA-N 290.363 3.548 30 20 CHED Cc1ccc(C[C@H]2CCCN(c3cccc(C#N)n3)C2)cc1 584667928 BPRXYBPNYHIKCG-QGZVFWFLSA-N 291.398 3.721 30 20 CHED C=CCCNC(=O)N1CC=C(c2cccc(Cl)c2)CC1 661569340 MBRBYAHGHBBXHV-UHFFFAOYSA-N 290.794 3.715 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2scnc2C2CC2)C1 666471497 KQLOKVUPVLFIAR-LLVKDONJSA-N 291.420 3.841 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@@H](C)C[C@H]1c1cccnc1 588204778 OCIRGUNKRBERJC-LIRRHRJNSA-N 291.398 3.845 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 903261157 SMRWYQFHEUDWOI-STQMWFEESA-N 290.750 3.839 30 20 CHED CCCN(Cc1ccc(C#N)cn1)CC1CCCCC1 580208446 CGBHTHMJTXDWMR-UHFFFAOYSA-N 271.408 3.746 30 20 CHED CCCCCCCCOC(=O)CC1CCOCC1 735358269 NEIQIRHTROLGHP-UHFFFAOYSA-N 256.386 3.707 30 20 CHED C#CCCCCC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 837928727 IBRQKTVDWMBEOB-QZTJIDSGSA-N 283.415 3.975 30 20 CHED C=C(Cl)CNC(=O)c1sc2ccc(F)cc2c1C 736245845 ASCYAAYZVPDMDS-UHFFFAOYSA-N 283.755 3.831 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)O[C@H](C#N)C1CCCCC1 835341240 HFFJFBBUNYIDAQ-ZYHUDNBSSA-N 291.313 3.981 30 20 CHED Cc1cc(NC(=O)C#CC(C)(C)C)ccc1OC(C)C 837434521 KHBSPANEWKUOBQ-UHFFFAOYSA-N 273.376 3.770 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1C[C@H](C)O[C@H]1C 839848824 FFMDVAWHSDFEGR-KKUMJFAQSA-N 269.429 3.667 30 20 CHED CC(CCCc1cccnc1)=NNc1nccnc1C(C)C 834976708 GYLMYDKQYVAHHA-UHFFFAOYSA-N 297.406 3.806 30 20 CHED CCC#C[C@H](C)Sc1nnc(-c2ccccc2)n1CC 677132143 XRENDRNDBOSMGS-ZDUSSCGKSA-N 285.416 3.859 30 20 CHED CCCCCC[C@H](C)NN=C(C)[C@H]1C[C@H]2CC[C@H]1O2 834960286 LERPGVWIMAPSFT-LCGIIJARSA-N 266.429 3.878 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1ccccc1O 739421055 CCACMIWVMZUGJL-UHFFFAOYSA-N 295.264 3.642 30 20 CHED CCc1nocc1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 834434995 ZDHGKCIXYFOYBC-MLJKTZRHSA-N 279.339 3.937 30 20 CHED CC/C=C(/C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 731644797 BULDXTKJVSTKEI-PRFOUVDFSA-N 296.292 3.743 30 20 CHED O=C(C(C1CC1)C1CC1)N(O)Cc1cccc2ccccc12 901370596 APPCRYRXIAHZDQ-UHFFFAOYSA-N 295.382 3.994 30 20 CHED N#Cc1ccc(CNCc2ccc3occc3c2)c(F)c1 586776713 JFKWSOPMDVNEBJ-UHFFFAOYSA-N 280.302 3.733 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(C(F)(F)F)c2)cnn1C 588397293 NGZJWYAADTWBLY-SREVYHEPSA-N 294.276 3.643 30 20 CHED O=C(C#CC1CC1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 837331813 AHEQQDDNQVSFMG-UHFFFAOYSA-N 292.338 3.571 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)OCC(F)(F)F 917999968 DSGWFHHYLRMAAA-UHFFFAOYSA-N 291.244 3.513 30 20 CHED CCN(CC)c1ccc(/C=C/c2ccc(C#N)cn2)cc1 917146837 YFRQMBFEVIDSJB-WEVVVXLNSA-N 277.371 3.970 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)C#Cc1cccs1 831255047 GNSJSNFMJFSFOA-ZDUSSCGKSA-N 275.417 3.527 30 20 CHED C#CCC(C)(C)C(=O)N1CCCC2(CCCCC2)C1 185533051 HMUNUFYRONLYRX-UHFFFAOYSA-N 261.409 3.609 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@@]1(C)CCC[C@@H]1C 835336471 GYRZZDBSNYHFSH-IMJJTQAJSA-N 268.397 3.585 30 20 CHED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C#CC1CC1 837333051 DDTMTWNYKDRCMV-NSHDSACASA-N 295.304 3.638 30 20 CHED C[C@@H](NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 599614028 PRCNDMAEPGPZNF-IHHFWDAISA-N 282.387 3.562 30 20 CHED N#CC[C@H]1CCCN(C(=O)Cc2csc3ccccc23)C1 597912709 GXFRCOMOUGONOD-CYBMUJFWSA-N 298.411 3.596 30 20 CHED Cc1ccc(NC(=S)NN=C[C@@H]2CC=CCC2)cc1 915923324 LIMPVKCKFYNSNI-CYBMUJFWSA-N 273.405 3.624 30 20 CHED N#Cc1cccc(Br)c1NC1CC(F)(F)C1 865727323 VMIAYWJKYAFSSP-UHFFFAOYSA-N 287.107 3.530 30 20 CHED CCN(C(=O)CSc1ccc(C(C)C)cc1)[C@H](C)C#N 598352076 GNMPHGPSLDLGDG-CYBMUJFWSA-N 290.432 3.663 30 20 CHED Cc1ccc(-c2ccc(CC(C)(C)O)cc2)c(C#N)c1 592988709 OARAXFLCBPZHKV-UHFFFAOYSA-N 265.356 3.847 30 20 CHED CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086805 MXUCJJKELCPNFY-MRXNPFEDSA-N 264.328 3.691 30 20 CHED COc1cccc([C@H](C)Nc2ncc3c(c2C#N)CCC3)c1 591818056 FCSOSUDAJUBSHM-LBPRGKRZSA-N 293.370 3.624 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 596633261 BEGFBGPUKGZJBH-KBPBESRZSA-N 262.397 3.545 30 20 CHED C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccsc1 591080207 OOILJSNRRKLQKD-KNXALSJPSA-N 296.395 3.601 30 20 CHED N#CCC1(CNc2ccc(F)cc2OCC2CC2)CC1 594705924 QKMWFDDWLLBVRC-UHFFFAOYSA-N 274.339 3.720 30 20 CHED Cc1cc(NN=C(CC(C)C)c2ccccc2)nc(C)n1 915970821 OAXDRAKTEHJWRW-UHFFFAOYSA-N 282.391 3.956 30 20 CHED C=C[C@H](C)NC(=O)NCCCCc1ccc(Cl)s1 671207845 NLHHGPGSAWSKGP-JTQLQIEISA-N 286.828 3.598 30 20 CHED CCCCCCCCOCC(=O)Nc1ccc(F)cn1 741558318 DTPSBEDDXCVKEQ-UHFFFAOYSA-N 282.359 3.536 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc2c(c1)COC2 742433984 BQZIVZVSVUJRDL-SREVYHEPSA-N 294.350 3.930 30 20 CHED N#Cc1ccc(N(C(=O)c2cccs2)C2CCC2)cc1 598886809 NJUDXJADGCHHOV-UHFFFAOYSA-N 282.368 3.819 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(C2CC2)CC1 590008707 VQHXTQFCTGHUTD-ZDUSSCGKSA-N 254.377 3.741 30 20 CHED Cc1ccoc1C=NNc1ccc(F)cc1Br 743433650 CJVBJBBJPOFMRH-UHFFFAOYSA-N 297.127 3.936 30 20 CHED C=C(C)CCOC(=O)[C@H]1C[C@@]12CCCc1ccccc12 744300450 YEDFSUAYDCUAGV-SJLPKXTDSA-N 270.372 3.790 30 20 CHED CCC/C(C)=C/C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842943866 ZQBKCBVNCYMLPB-OFFHKIPUSA-N 274.389 3.943 30 20 CHED Cc1ccccc1CC1CN(Cc2cc(C#N)cs2)C1 590967246 URQIURUDJBRLKD-UHFFFAOYSA-N 282.412 3.603 30 20 CHED Cc1ccc(-n2ncc(N[C@@H]3CC[C@@H](C#N)C3)c2C)cc1 593725456 LTOSCOUPFNJCJQ-HUUCEWRRSA-N 280.375 3.593 30 20 CHED Cc1ccc(C)c(C=NNc2ncccc2Cl)c1 917549325 LTOIFYAMGBVGLZ-UHFFFAOYSA-N 259.740 3.798 30 20 CHED Cc1cc(C#N)ccc1NC[C@@H](c1ccco1)N1CCCC1 846745209 FKCHKWHNGCHBIC-KRWDZBQOSA-N 295.386 3.709 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@H]4C[C@H]4C3)c2c1 596508620 DVWCLYGVYKVIBW-KBPBESRZSA-N 277.371 3.570 30 20 CHED C=CC[C@@H](OC(=O)C[C@H](C)c1cnn(C)c1)c1ccccc1 842339150 KUYNRBXYRBSCAF-WMLDXEAASA-N 298.386 3.774 30 20 CHED N#Cc1cc(OCC2(C#N)CCC2)ccc1C(F)(F)F 591372323 JJBQTRDBYZUMDJ-UHFFFAOYSA-N 280.249 3.650 30 20 CHED CC(C)Sc1ccc(C(=O)N(C2CC2)[C@H](C)C#N)cc1 598130502 CPMZGBDSGVIJQA-GFCCVEGCSA-N 288.416 3.704 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C=C(\C)c1ccccc1Cl 847169571 WPFCRRYURGFWSD-ZKQHCESOSA-N 276.767 3.504 30 20 CHED CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)C1CCCC1 595093639 DQLUQEJYEQYLRD-SJKOYZFVSA-N 290.382 3.553 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 593416974 HIBPKYRBQDVWIM-GFCCVEGCSA-N 299.399 3.915 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)[C@H](C)c1cc2ccccc2o1 845639667 SBQIHLQJMLWRII-VXGBXAGGSA-N 288.347 3.641 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCCc1ccc(C#N)cc1 595447606 IVAIANLYDIZGRY-AWEZNQCLSA-N 284.325 3.667 30 20 CHED C=CC[C@@H](C(=O)OCc1conc1CC)c1ccccc1 848742971 OZRHRPIWJBANEW-OAHLLOKOSA-N 285.343 3.640 30 20 CHED CC(C)COc1cccc(NCC2(CC#N)CC2)c1 594700595 KHHJZJTUODNSLC-UHFFFAOYSA-N 258.365 3.827 30 20 CHED COc1ccc2ccc(O)c(CN(CCC#N)C(C)C)c2c1 745437314 GLCHAXUJPWPGJQ-UHFFFAOYSA-N 298.386 3.678 30 20 CHED N#C[C@H]1CC[C@H](N[C@@H]2CCCc3ccc(Cl)cc32)C1 599095449 UYZYNKQYKZBEIQ-HZUKXOBISA-N 274.795 3.999 30 20 CHED N#Cc1csc(/C=C2\CSc3ccccc3C2=O)c1 748438743 FKEITLHTWXJFOD-IZZDOVSWSA-N 283.377 3.992 30 20 CHED C=C(C)CNC(=S)Nc1ccc2nc(CC)sc2c1 843280216 FQVMRDNDMYMTJD-UHFFFAOYSA-N 291.445 3.721 30 20 CHED COc1cccc(F)c1C(C)=NNc1ccc(F)cc1 741810410 JFUQWXNIYAETNB-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C#CCCCNC(=O)c1ccccc1Nc1ccc(C)cc1 742786185 MZQBPJINUOOURZ-UHFFFAOYSA-N 292.382 3.882 30 20 CHED CCOc1cccc(/C=N/[C@@H]2CCCC[C@H]2OCC)c1O 840709289 IKCWIHZGIBSHFY-SIRBDXHCSA-N 291.391 3.558 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1CCc2c(Cl)cccc21 684939211 MMAAOPMPHAUFDX-SMDDNHRTSA-N 277.795 3.841 30 20 CHED COCC(C)(C)C=NNc1ccc(C(F)(F)F)cc1 754963967 GHEJXBREXHMVMU-UHFFFAOYSA-N 274.286 3.776 30 20 CHED O=C(OCC#Cc1ccccc1)c1cc2ccccc2o1 920117514 DQPQEWIJFFAKTH-UHFFFAOYSA-N 276.291 3.641 30 20 CHED C=CCc1cc(CN(CC(C)C)C2CC2)c(O)c(OC)c1 754722911 GJDMGZLXWKVBBF-UHFFFAOYSA-N 289.419 3.750 30 20 CHED C#C[C@H](CC)NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 754388563 MXSZOPRLJUSLJF-ZACQAIPSSA-N 293.451 3.670 30 20 CHED CCCCCCCCNC(=O)CSC(F)(F)F 754852046 YSAVQNVEPWQVHF-UHFFFAOYSA-N 271.348 3.716 30 20 CHED COc1ccc(O)c(C=Nc2cc(OC)ccc2Cl)c1 920754860 FLVRSCNLPPXLCF-UHFFFAOYSA-N 291.734 3.813 30 20 CHED C(=NNC1CC1)c1cccc(Oc2ccccc2)c1 758132397 CLPLWXSEZNSOFY-UHFFFAOYSA-N 252.317 3.565 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2cc(Cl)ccc2O)c1 757469004 XZRIPGLZZMTQJC-XQRVVYSFSA-N 283.714 3.813 30 20 CHED C=CCCONC(=O)c1cc(Cl)cc(C(F)(F)F)c1 856033487 GWEAVBLNXFENKS-UHFFFAOYSA-N 293.672 3.596 30 20 CHED CC(C)C(=NNc1ncnc2sccc12)C1CC1 750935616 WFJAMAALMOWPJP-UHFFFAOYSA-N 260.366 3.525 30 20 CHED C=CCc1ccc(OC(=O)C(C2CC2)C2CC2)c(OC)c1 753040838 JDTPIXYCTJPIGJ-UHFFFAOYSA-N 286.371 3.765 30 20 CHED CC(C)C#CC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 854901662 FQLJEEKFOKMZLJ-SFHVURJKSA-N 281.399 3.790 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C\c1cccc(F)c1 851212826 BPDWXXALSPHAJP-KRZKBDHCSA-N 275.323 3.710 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCSCC#N 932278496 PSZACYIYQCTYTL-RDJZCZTQSA-N 288.460 3.901 30 20 CHED Clc1ccc(C=NO[C@@H]2CCCCO2)c2ncccc12 755821076 ARBZXHKOWBOYOR-CQSZACIVSA-N 290.750 3.765 30 20 CHED C=CCCCCCCNC(=O)Nc1cccc(N)c1C 859724608 IUOGTCHQISFPFE-UHFFFAOYSA-N 275.396 3.835 30 20 CHED CCCCCCCNC(=O)N(C)Cc1occc1C 858114060 UNOSXDMCUFAKHD-UHFFFAOYSA-N 266.385 3.700 30 20 CHED C[C@@H]1CCc2c(F)cccc2C1=NO[C@H]1CCCCO1 755822467 ULVQUSDJXXGNKB-ABAIWWIYSA-N 277.339 3.655 30 20 CHED N#Cc1ccsc1NC(=O)N[C@H]1C[C@H](c2ccccc2)C1 931839337 MEXIJKGTNKKSIO-HDJSIYSDSA-N 297.383 3.687 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H](COc2ccccc2)C1 935305390 YBHLNIUUXHFLLL-HZPDHXFCSA-N 287.403 3.516 30 20 CHED C[C@@H](c1cccs1)S(=O)(=O)CCCCC(C)(C)C#N 766343631 LVDYJUNPATWNDO-LBPRGKRZSA-N 299.461 3.944 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 935774045 WYJIMZNAUGQLGS-YYIAUSFCSA-N 293.451 3.521 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc[nH]1 760353156 HIEZDGGILCVDQG-GFCCVEGCSA-N 289.404 3.535 30 20 CHED CC[C@@H](CC#N)OC(=O)/C=C/c1ccc(SC)s1 860693910 ADDSWAULFHDXKL-RWCYGVJQSA-N 281.402 3.719 30 20 CHED COc1cc(F)ccc1NN=Cc1cc(F)ccc1F 761886331 YZIXMOVUTKDQRG-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CC(=NNc1cccc(F)c1Cl)C1CCN(C)CC1 863158444 BQISAJOQCBSSAF-UHFFFAOYSA-N 283.778 3.609 30 20 CHED CCc1ccccc1NN=Cc1ccc2c(c1)ncn2C 761251331 BZWQPJIHDJPMIC-UHFFFAOYSA-N 278.359 3.582 30 20 CHED CC(C)CNN=CC1CCC(C(F)(F)F)CC1 767386383 QUNAGZSYCVMWDI-UHFFFAOYSA-N 250.308 3.587 30 20 CHED Cc1cc(OC(=O)[C@@H](C)C2CCCC2)ccc1C#N 765091807 MQXXIRFYMMHZGN-LBPRGKRZSA-N 257.333 3.598 30 20 CHED CCC(CC)(CC)C(=O)Oc1ccc(C#N)cc1OC 760300391 DQYBBHUGFCLYDY-UHFFFAOYSA-N 275.348 3.689 30 20 CHED C=C[C@H](CC)CC(=O)NCC(C)(C)c1cccs1 932843811 DCNVOBFPRFDRAX-GFCCVEGCSA-N 265.422 3.744 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)OCc1ccc(F)cc1C#N 769173939 CTYSXOUMHGDJIP-NEPJUHHUSA-N 275.323 3.567 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1csc(C)n1 764787967 HRMGBCJUPNTWCK-UHFFFAOYSA-N 296.399 3.514 30 20 CHED Cc1ccoc1C(=O)OCc1ccccc1C(C)(C)C#N 767981781 VXMVHFZMQUBPTM-UHFFFAOYSA-N 283.327 3.746 30 20 CHED C#C[C@@H](OC(=O)c1cc2c(F)cccc2s1)C1CC1 767523226 PKOLSROOOZKJDA-GFCCVEGCSA-N 274.316 3.609 30 20 CHED C#CCCCNc1cccc(OCc2cccc(C#N)c2)c1 766722606 BDHCYQHSDBEWFX-UHFFFAOYSA-N 290.366 3.963 30 20 CHED C=CCCCOC(=O)c1ccc(C(F)(F)F)nc1Cl 766132058 ZTKNLJRJGHGOEG-UHFFFAOYSA-N 293.672 3.877 30 20 CHED CCCCCCCCC(=O)OC[C@H]1CCCOC1 766299115 DDEPOFVJPSHKCM-AWEZNQCLSA-N 256.386 3.707 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc2c(C)ccc(C)c2s1 767043139 MXTPDIYFOBZTJK-UHFFFAOYSA-N 286.400 3.901 30 20 CHED C#C[C@H](OC(=O)c1ccc(Oc2ccccc2)o1)C1CC1 767528003 YWPFREBICPGXSG-AWEZNQCLSA-N 282.295 3.641 30 20 CHED Cc1cc(C=NNc2nc3ccccc3n2C)c(C)s1 760241313 CNNSXIDUIXUROU-UHFFFAOYSA-N 284.388 3.698 30 20 CHED CCON=C(CC)c1cc(Cl)cc(Cl)c1O 767461268 HHHLWQPUBXNBGS-UHFFFAOYSA-N 262.136 3.850 30 20 CHED C#CCOc1cc(F)ccc1NCc1nc(C)sc1C 1116356217 RSTATDXPQQYKTC-UHFFFAOYSA-N 290.363 3.523 30 20 CHED Cc1cccnc1CSCc1ccc(C#N)cc1F 1116484041 ZSHYLECYQIRCTO-UHFFFAOYSA-N 272.348 3.834 30 20 CHED Cc1coc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 879029622 UGPHXXKANDMDEV-HZPDHXFCSA-N 294.354 3.500 30 20 CHED CC(C)Nc1nnc(S[C@@H](C#N)C2CCCCC2)s1 1116078299 WHKBWYJBBVNIBV-NSHDSACASA-N 296.465 3.923 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)C1(C#N)CCC1 1116095554 PNBAASQDMNSEOD-QLFBSQMISA-N 276.424 3.505 30 20 CHED C=CCNc1nnc(SCSC(C)(C)C)s1 871628723 DRZALLWSCITWIK-UHFFFAOYSA-N 275.468 3.717 30 20 CHED C=CCc1ccc(OC(=O)c2ccc(C)o2)c(OC)c1 875113694 PMJCCWVILMEUTG-UHFFFAOYSA-N 272.300 3.544 30 20 CHED CCCCCC[C@@H]1CCCC1=NN[C@H](C)COC 777902286 QAZNTJBBRJVRGK-ZIAGYGMSSA-N 254.418 3.737 30 20 CHED C=C(CC)COC(=O)c1c(F)cccc1NC(=O)C(C)C 773512975 AXUJOGOTVUAAOJ-UHFFFAOYSA-N 293.338 3.543 30 20 CHED C#CCN(CC1CC1)C(=O)[C@H](C)c1ccc2ccccc2c1 1116366434 OBUDLXGBFDCVLR-OAHLLOKOSA-N 291.394 3.815 30 20 CHED C#CCCCCCC(=O)N1CCCc2cc(F)cc(F)c21 779852389 KQNHDIUKJQMXOR-UHFFFAOYSA-N 291.341 3.828 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1ccccc1C(F)(F)F 776386823 MTBLDKYIPLRFPA-UHFFFAOYSA-N 299.292 3.731 30 20 CHED C=CCC[C@H](NC(=S)NCC(=C)C)c1ccccc1 771852392 ZUTQSQJAUNZFMF-HNNXBMFYSA-N 274.433 3.734 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc2c(c1)OCCO2 777910723 BUTXUIOJOCLEDI-UTCJRWHESA-N 298.313 3.801 30 20 CHED C=CCN(C(=O)N[C@@H](C1CCCC1)C(F)(F)F)C(C)C 775775748 UAESWJANRQYEQP-LBPRGKRZSA-N 292.345 3.714 30 20 CHED Cc1cccc(C=NNCc2ccccc2)c1OC(F)F 777878150 XNYJETPVDFQQLZ-UHFFFAOYSA-N 290.313 3.720 30 20 CHED C=C(C)CN(C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 778229724 AOXJQBBGEGUFNN-AWEZNQCLSA-N 274.408 3.647 30 20 CHED Cc1ccc(C(F)(F)C(=O)Oc2ccc(C#N)cc2)cc1 779707558 VBZINGNZBMXIEC-UHFFFAOYSA-N 287.265 3.564 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cc(F)cc(F)c1 776191289 GAHWKJMFDLCVJV-ONEGZZNKSA-N 273.282 3.818 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 775265211 ZYDRWPMFUVZCJD-KGLIPLIRSA-N 288.391 3.649 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1ccc(F)cc1 1120708895 JRJXSTUGISAMMN-CYBMUJFWSA-N 261.340 3.587 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)[C@H]1CCCC[C@@H]1C 781924612 OVISGEVHRXRCMO-YJBOKZPZSA-N 286.419 3.990 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1F 782301408 LWPPFAHGYWOLJB-YCRREMRBSA-N 286.302 3.826 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1cccc(NC(=O)C(C)C)c1 785590090 HZASXGWSLBCVAV-QGZVFWFLSA-N 289.375 3.789 30 20 CHED C=C1CCC(C(=O)N[C@H](CC)c2nc(C)cs2)CC1 888822528 ALDQZHGJQIZLIN-CYBMUJFWSA-N 278.421 3.765 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCC[C@H](C)CC2)c1 785836616 ZGDQHXDFFCAVJL-ZFWWWQNUSA-N 270.376 3.758 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1ccc(CC#N)cc1 890612467 MEIDLSKNINZBQZ-SFHVURJKSA-N 290.366 3.860 30 20 CHED Cc1cc(C=NN[C@H]2CCCC2(C)C)cnc1Cl 782288082 ONPJIGAUVVSYGQ-LBPRGKRZSA-N 265.788 3.546 30 20 CHED CSc1ccccc1CC(C)=NOCc1cccnc1 782907589 JFUXIDJTOUCLIH-UHFFFAOYSA-N 286.400 3.939 30 20 CHED Cc1cc(COC(=O)c2ccc(Cl)s2)ccc1C#N 781582560 ATKHAFLEOIJPHA-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NOC[C@@H]2CCOC2)C1 788030775 PTNLUASMCFAHQA-RHSMWYFYSA-N 273.376 3.537 30 20 CHED N#Cc1cnc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)s1 896492085 LMXVTAPZRREPFK-HAQNSBGRSA-N 289.404 3.560 30 20 CHED CC/C(C)=C(/C)C(=O)N(CCC#N)C(C)(C)CC 787941393 ABYDGXAZKHMHEN-SEYXRHQNSA-N 250.386 3.664 30 20 CHED C=CC(C)(C)Cc1nc([C@@H]2CCCCS2)no1 896161365 FWXJINMOFHISCT-JTQLQIEISA-N 252.383 3.783 30 20 CHED C[C@H](OC(=O)[C@H]1Cc2ccc(F)cc21)c1cccc(C#N)c1 796074518 PRJGYTGBXXTDPJ-GTNSWQLSSA-N 295.313 3.641 30 20 CHED C#Cc1cncc(C(=O)N(c2ccccc2)[C@H](C)C(C)C)c1 894226237 OUNROGPWEFQERU-OAHLLOKOSA-N 292.382 3.754 30 20 CHED C=C1CC(c2noc(CC3(C#N)CCCCC3)n2)C1 896874536 QFDROYVKQWHURP-UHFFFAOYSA-N 257.337 3.520 30 20 CHED CCC/C=C\C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570626 ILUIBIKUBPHSJI-SKVAFPRGSA-N 276.405 3.973 30 20 CHED CON=CC(c1ccc(F)cc1)c1ccc(F)cc1 799875240 RXJINYZOTIUEQT-UHFFFAOYSA-N 261.271 3.729 30 20 CHED N#CCC[C@@H](NC(=O)N1C[C@H]2CCC[C@H]1C2)c1ccccc1 893776634 IQWCOKORDRVPEJ-BHYGNILZSA-N 297.402 3.615 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)oc1C 799897533 QDVJKCZTTGVQFU-RMKNXTFCSA-N 292.338 3.978 30 20 CHED Clc1cccc(NN=C/C=C\c2ccccc2)n1 793180813 AIXMSHKAFKADOL-CASMWYGASA-N 257.724 3.846 30 20 CHED N#C[C@H]1CC[C@H](Nc2cc(F)c(N3CCCC3)c(F)c2)C1 799721637 PCIOFYBLHAXSEX-RYUDHWBXSA-N 291.345 3.669 30 20 CHED CC(C)[C@H]1CN(Cc2cccc(F)c2C#N)[C@@H]1C(C)C 1205789162 KTPBMEUEKDGWDG-NVXWUHKLSA-N 274.383 3.810 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(F)ccc1F 796463798 VQJCJCGPULGOKQ-UHFFFAOYSA-N 254.276 3.610 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1ccc(C#N)cc1Cl 794947864 AQSAGSVDXSOTEP-GQCTYLIASA-N 299.761 3.885 30 20 CHED COc1ccc(NN=Cc2ccccn2)c(C(F)(F)F)c1 793112478 SSUOQTIAXHYNTC-UHFFFAOYSA-N 295.264 3.555 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(NC(C)=O)nc1 793569548 VOZATHPRFPYOMS-AWEZNQCLSA-N 289.423 3.655 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1C 1201839636 NTLDGLWIVZOUOX-DZGCQCFKSA-N 285.391 3.815 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1nc2ccccc2s1 797587176 RCALGFFRHHGHQO-NSHDSACASA-N 271.389 3.641 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)C=C2CCC2)s1 797572620 DQGQHGUNDDVXAR-LLVKDONJSA-N 274.389 3.727 30 20 CHED COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)ccc1C#N 799497720 ZTZUWUMONTYCCS-LZYBPNLTSA-N 289.334 3.698 30 20 CHED C=CCCC(=O)O[C@@H](c1nc2ccccc2o1)C(F)(F)F 798207138 FXESMRHBXQEKPF-LBPRGKRZSA-N 299.248 3.941 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 794961654 ITVXCDYAQQKYNW-SDNWHVSQSA-N 294.398 3.930 30 20 CHED C[C@@H](Cc1c(Cl)cccc1Cl)NCC1(C#N)CC1 797605593 RPTBYUALWVPFRA-JTQLQIEISA-N 283.202 3.818 30 20 CHED CC(C)(CNC(=O)c1cccc(C#N)c1)C1CCCC1 510119175 MXQDKCANAJPUSF-UHFFFAOYSA-N 270.376 3.504 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)c1ccc(F)cc1F 1321631175 QDJCSRWAOKCASG-JQWIXIFHSA-N 267.319 3.539 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)OC1CCCCC1 1326167075 OHCFOZFBKKAXIE-CQSZACIVSA-N 294.439 3.655 30 20 CHED CC[C@H](c1ccccc1)c1nnc([C@@](C)(C#N)CC)o1 1327042859 SKBUGWQLCYTXJF-CZUORRHYSA-N 269.348 3.803 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(F)cc2Cl)c1 103032728 LUGMHEBEUVLGDJ-UHFFFAOYSA-N 287.721 3.737 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1ncccc1F 1321859625 BMTSXRWBKOGGAL-JTQLQIEISA-N 285.322 3.558 30 20 CHED Cc1ccccc1OCCN(CCC#N)CC(C)(C)C 740423187 DIIIBENBKIKKDW-UHFFFAOYSA-N 274.408 3.636 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3sccc32)cc1 61328211 KEIMPEINEZLRAQ-HNNXBMFYSA-N 268.385 3.787 30 20 CHED CC[C@@H](COc1ccc(C#N)cc1C)CC(F)F 596253232 BFQJQSFTPACJLD-LLVKDONJSA-N 253.292 3.927 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C#N)C1 1251879206 PTRMWDBTXGSBFH-ARFHVFGLSA-N 291.439 3.538 30 20 CHED C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H](C)C1(F)F 599119143 YLYBGFIYPCUPDB-NXEZZACHSA-N 284.737 3.939 30 20 CHED C=C[C@@H](COC)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 1256315461 HRANCQUHBQLQIB-FIQHERPVSA-N 285.840 3.684 30 20 CHED CCC(CC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191887 OIRYNFVGIUWSJM-UHFFFAOYSA-N 284.281 3.952 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1nc2c(cc1C#N)CCC2 88298493 LIDOJPAAWHJUNY-NWDGAFQWSA-N 257.381 3.679 30 20 CHED CC[C@H](C)N(C(=O)c1cc(C#N)ccc1F)[C@H](C)CC 1333506195 DPXZFJKVFIPAAE-TXEJJXNPSA-N 276.355 3.737 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1cc(F)ccc1F 1337558603 TVMKJPUJAJFFAP-HNNXBMFYSA-N 293.357 3.855 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C[C@@H](C)c1ccccc1C 1345645917 CBHBRLBIMHKJID-ZBFHGGJFSA-N 295.386 3.582 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 1340357072 QEUFJUBHOOUQBF-BJMVGYQFSA-N 284.286 3.508 30 20 CHED C(=NN[C@@H]1CCSC1)c1ccc(-c2ccccc2)s1 1261129207 LMDHHGWTUMIHJE-CYBMUJFWSA-N 288.441 3.844 30 20 CHED Cc1cc(C)cc(CC(=O)Nc2ccc(CC#N)cc2)c1 1348910863 ONYFZNMAIZLDKF-UHFFFAOYSA-N 278.355 3.551 30 20 CHED Cc1cscc1-c1nnc(COc2ccccc2C#N)o1 1345679467 KIIPMKKLMJGZID-UHFFFAOYSA-N 297.339 3.557 30 20 CHED N#C[C@H](C(=O)c1cc2occc2s1)c1cccc(F)n1 1357599079 POUNMMNQLPELTE-QMMMGPOBSA-N 286.287 3.518 30 20 CHED COc1ccc(Cl)cc1NC(=O)c1csc(C#N)c1 1351936177 CHBKNKSNTPERPW-UHFFFAOYSA-N 292.747 3.534 30 20 CHED Cc1ccc2oc(NCCc3ccc(C#N)cc3)nc2c1 1458486128 ZBTPUBPOBZFURK-UHFFFAOYSA-N 277.327 3.663 30 20 CHED CCCC1CCC(NC(=O)c2ccc(C#N)cc2F)CC1 1526684634 DELBXFYXUQYPPI-UHFFFAOYSA-N 288.366 3.786 30 20 CHED CSc1cc(NC(=O)c2ccc(C#N)[nH]2)ccc1Cl 1469020901 IXZYPULTSALOJS-UHFFFAOYSA-N 291.763 3.514 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C1CCC(C)(C)CC1 1460128256 CUUQKQLOXSSCDB-UHFFFAOYSA-N 298.386 3.916 30 20 CHED Cc1cc(CNc2ccc(CCC#N)cc2)ccc1C(=O)O 1600211137 ILUGGVYSFDZLBD-UHFFFAOYSA-N 294.354 3.762 30 20 CHED CCCCCCCNCc1cc(OC)ccc1OC 104838624 SYOXJUXNROMZAB-UHFFFAOYSA-N 265.397 3.764 30 20 CHED C=C(C)CCNc1cc(Cl)c(F)c(C(=O)O)c1 1609226127 HMAZDAGWWPAVTK-UHFFFAOYSA-N 257.692 3.555 30 20 CHED C[C@H]1C[C@H](N2CC[C@@](F)(C#N)C2)c2ccsc2S1 1474444947 SZOOWBDOUUNYTI-XHVZSJERSA-N 282.409 3.611 30 20 CHED N#Cc1cnc(NCc2cccc(C(F)(F)F)c2)c(F)c1 1611710252 RNAOJCLIZIGTFU-UHFFFAOYSA-N 295.239 3.723 30 20 CHED Cc1cnc(Br)c(C#N)c1-c1ccccc1 514260797 FIQSIKMZGGEQFZ-UHFFFAOYSA-N 273.133 3.691 30 20 CHED C=C(CC(C)C)C(=O)NC1(c2nc(C)cs2)CCC1 1548648808 ZYXGGUABQADHCH-UHFFFAOYSA-N 278.421 3.549 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1F 1625455044 KODJZKHHLHQNAQ-LBPRGKRZSA-N 289.354 3.645 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1c[nH]nc1-c1ccccc1 1621232765 WPQJOVPUOFVFSY-GFCCVEGCSA-N 268.364 3.817 30 20 CHED CC(C)(CNC(=O)Nc1sccc1C#N)c1ccccc1 1626076564 OHXIJKBSZZRYQU-UHFFFAOYSA-N 299.399 3.719 30 20 CHED Cc1cccc(C)c1CN(C)Cc1cccc(F)c1C#N 1621542032 MQCQIMQJLYHSAS-UHFFFAOYSA-N 282.362 3.946 30 20 CHED CC1(C)CN(C(=O)[C@@H](CC#N)c2ccccc2)CC(C)(C)C1 1638060293 UQSIMPNLMSCHDN-INIZCTEOSA-N 298.430 3.969 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3ccsc3[nH]2)c1 1639050668 YUIXANPAIAREGJ-UHFFFAOYSA-N 281.340 3.662 30 20 CHED CC[C@H](NC(=O)Nc1ccc(F)cc1C#N)C1CCCC1 1562449795 RHXLHYZFOLCIIL-AWEZNQCLSA-N 289.354 3.788 30 20 CHED C[C@@H]1[C@@H](NCCc2ccc(C#N)cc2)CCC[C@H]1C 1654217579 BWYXOWVFPVMMHU-KEYYUXOJSA-N 256.393 3.515 30 20 CHED Cc1cc(CN[C@H](C)C2CCCCC2)ccc1C#N 1620979478 YCWIZMIXGGUDIK-CQSZACIVSA-N 256.393 3.925 30 20 CHED CCCN(CCN1CCCC1)CCC1(C#N)CCCCC1 1654411015 MPKCMYGTDSJYAS-UHFFFAOYSA-N 291.483 3.658 30 20 CHED COc1ccc(C#N)cc1NCc1cccc2ccoc12 1657498769 MFROJFWENMUFBC-UHFFFAOYSA-N 278.311 3.925 30 20 CHED Cc1nc(C#N)cc(N2C[C@H](C)CC[C@@H]2c2ccccc2)n1 1655465493 ZAEBWNVASUHMJS-CXAGYDPISA-N 292.386 3.634 30 20 CHED Cc1ccc(C)c(C2CCN(c3ccncc3C#N)CC2)c1 1652305619 QTWFLHJNVGBNLM-UHFFFAOYSA-N 291.398 3.954 30 20 CHED Cc1cc(NCc2ccccc2C(F)(F)F)ncc1C#N 1655045524 FHDNWLDLNOFSGR-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC(C)c1nc(CNc2cccc(C#N)c2)c2ccccn12 1662048117 LVLLRIIVCJIKEF-UHFFFAOYSA-N 290.370 3.941 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2C#N)CC1 1667628447 JMFNXDPSBJISEJ-RISCZKNCSA-N 289.354 3.788 30 20 CHED CC1(C)c2ccccc2CCN1Cc1cccc(F)c1C#N 1660096050 XJMRMZAYUGCPOM-UHFFFAOYSA-N 294.373 3.991 30 20 CHED Cc1cc(C=NNc2ccc(C(=O)O)cc2)ccc1Cl 1776012648 ISSDTXPYKJOOKG-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C[C@@H]1/C(=C/c2ccc(F)c(C(=O)O)c2)C(=O)c2ccccc21 1777408075 XNYXBLBQZNIYCV-WULZRQGASA-N 296.297 3.907 30 20 CHED C=CCCCCCN1CCc2cc(F)c(C(=O)O)cc2C1 1776174429 XECWVXXPGOLFGD-UHFFFAOYSA-N 291.366 3.628 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(C)c2cccc(C#N)c2)c1 150910347 DHQRKXICZMRCIC-CQSZACIVSA-N 278.355 3.633 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2nc3ccccc3s2)n1 160372635 LDLWZDCHSOQHEA-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C=C(C)CN(C)C(=O)c1cc2ccccc2c(Cl)n1 165914780 KEWJYTNJJSWNTA-UHFFFAOYSA-N 274.751 3.536 30 20 CHED C=C(C)CNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 153028469 ZKDVBSIDLKYNKX-AWEZNQCLSA-N 275.392 3.578 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(F)cn1)c1ccccc1 155509565 GAOTUDPAUUSEMZ-GFCCVEGCSA-N 270.307 3.519 30 20 CHED Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(C)(C)C#N 153961265 UHAKNZVACVPGEX-AWEZNQCLSA-N 299.418 3.862 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C/c1cccc(C#N)c1 155825127 KQWHRZULVOOZAR-RMKNXTFCSA-N 294.329 3.659 30 20 CHED CC(C)(C)c1ccccc1NCc1cc(C#N)ccn1 901362008 YMEBWZKEULXBST-UHFFFAOYSA-N 265.360 3.863 30 20 CHED CCCCCCCCC(=O)NCC1(O)CCCCC1 114854079 BVFDMLDBFQAMQP-UHFFFAOYSA-N 269.429 3.548 30 20 CHED Cc1cc(Oc2ccccc2C#N)c(F)cc1[N+](=O)[O-] 123429760 VITPKEGBLJESDV-UHFFFAOYSA-N 272.235 3.706 30 20 CHED Cc1ncsc1CN(C)Cc1ccc(C#N)cc1Cl 162909983 DDLSHPUIAVYALD-UHFFFAOYSA-N 291.807 3.609 30 20 CHED CO[C@@H]1CCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 50374338 PALDIXNIDJLHKA-CHWSQXEVSA-N 284.281 3.556 30 20 CHED CC[C@@H](CC#N)NC(=O)c1sccc1-c1ccccc1 183893257 NBEQSQPIOCIQRY-ZDUSSCGKSA-N 284.384 3.837 30 20 CHED C[C@@H]1Cc2ccccc2CN1c1ncc(C#N)cc1Cl 184172029 XCVLTNZZJOEJEW-LLVKDONJSA-N 283.762 3.558 30 20 CHED C[C@H](c1ccccc1F)N(C)c1ccc(C#N)cc1 62016684 BHKPPTLIELOJEZ-GFCCVEGCSA-N 254.308 3.895 30 20 CHED C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H]1C 78335198 HWWLJBNQJMKVRW-NXEZZACHSA-N 283.297 3.597 30 20 CHED N#CCN(C(=O)c1csc2ccccc12)C1CCCC1 80212122 UWKBBOPJJFSRJN-UHFFFAOYSA-N 284.384 3.810 30 20 CHED N#CCCC1CCN(C(=O)c2ccc(Cl)s2)CC1 335385363 WDZPBDKVWHIEJJ-UHFFFAOYSA-N 282.796 3.557 30 20 CHED C[C@@H](CC(=O)N1CCc2ccc(C#N)cc21)C(C)(C)C 339823245 TXHAKLWOABDJHM-LBPRGKRZSA-N 270.376 3.520 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1c(C)nn(CC)c1C 657869458 WUXCLIDXLODULK-RDJZCZTQSA-N 275.440 3.744 30 20 CHED C=CC[C@H](CC)Nc1c(F)cc([N+](=O)[O-])cc1F 393735463 BFPVXMCQNLOWQQ-QMMMGPOBSA-N 256.252 3.640 30 20 CHED Oc1ccc(C=NNc2cccc(C(F)(F)F)c2)cc1 916259752 HUOBEMZQBCOECU-UHFFFAOYSA-N 280.249 3.857 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])cc1C#N 57141798 FJZFLROLCZCSRM-KRWDZBQOSA-N 293.326 3.874 30 20 CHED N#Cc1ccc(CCC(=O)Oc2cccc3[nH]ccc23)cc1 174726032 JSLMTPJPCQJQQX-UHFFFAOYSA-N 290.322 3.578 30 20 CHED C=CCNC(=O)[C@@H](C)Nc1cccc(Oc2ccccc2)c1 52635810 ZECNNLQSWJZQPR-CQSZACIVSA-N 296.370 3.582 30 20 CHED N#Cc1cccc(NC(=O)c2cc3cc(F)ccc3o2)c1 117566460 OUBZQKMBXFVJOO-UHFFFAOYSA-N 280.258 3.696 30 20 CHED C=CCN(CC=C)C(=O)c1c(Cl)c2ccccc2n1C 59288790 DJZAENZZIRIZTC-UHFFFAOYSA-N 288.778 3.646 30 20 CHED C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 104978736 XVQRYEFKGUMKCE-ZANVPECISA-N 277.755 3.522 30 20 CHED N#Cc1cccc(NC(=O)c2ccccc2OC2CCC2)c1 118189782 VPDHPTKYXIQMAR-UHFFFAOYSA-N 292.338 3.742 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1nccc2ccccc12 64365782 BURBBXGGISGJCO-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCn1c(SCCC)nnc1-c1ccccc1 57508690 VULMKOKPCOQXMJ-UHFFFAOYSA-N 259.378 3.633 30 20 CHED COc1ccc(CNC(C)(C)c2cccc(F)c2)cc1C#N 174415084 SBUDVKAXDYYAJM-UHFFFAOYSA-N 298.361 3.731 30 20 CHED N#Cc1cccc(SCc2cc(C#N)ccc2F)c1 177113637 IFXCHAYLOYCVDG-UHFFFAOYSA-N 268.316 3.861 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccccc1)C1CCC1 116955401 KAGZAAUUFXCIKW-CZUORRHYSA-N 272.392 3.792 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2cccc(C#N)c2C)C1 178581055 PDEINHCNFSKNJT-KRWDZBQOSA-N 285.391 3.911 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cn1 68395848 JEWNHGXLOHLKKB-SOFGYWHQSA-N 296.301 3.715 30 20 CHED C=CCS[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 114757395 VKBASBKVDIXHAZ-UKRRQHHQSA-N 277.433 3.952 30 20 CHED C[C@H](N[C@H](C)Cc1ccc(F)cc1)c1cccc(C#N)c1 62050264 KYZSDYDTCQMLDD-KGLIPLIRSA-N 282.362 3.979 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(CC#N)c1 176915862 VWJMVKVTAYSRJD-DOTOQJQBSA-N 284.403 3.793 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](CC)Sc1ccccc1 116849800 JNGFSPLZGAWBJA-GXTWGEPZSA-N 263.406 3.638 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1occc1C 119270382 JWERYCMYAMWKJI-UHFFFAOYSA-N 268.360 3.872 30 20 CHED COc1cccc(C(=O)/C=C/c2cc(C#N)cs2)c1 176836867 QGGWSZUQECORMA-AATRIKPKSA-N 269.325 3.524 30 20 CHED N#CC1(C(=O)NCCCCCc2ccccc2)CCCC1 67875993 PYBHJGGOHASPGX-UHFFFAOYSA-N 284.403 3.600 30 20 CHED N#Cc1ccc(CNCc2coc(-c3ccccc3)n2)s1 176975730 MVWAMVCKSKEKSC-UHFFFAOYSA-N 295.367 3.565 30 20 CHED CC(C)CCOC1CCN(CC(C)(C)CCC#N)CC1 179333708 LAPJQKLYAKBOKZ-UHFFFAOYSA-N 280.456 3.843 30 20 CHED C=CCn1c(C)nnc1S[C@@H](C)c1ccc(F)cc1F 60423847 RTVDIUXGTSMHNK-VIFPVBQESA-N 295.358 3.904 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1sccc1Cl 126471367 KNGGHLIEAQXCEZ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCCCC(=O)NCCCSc1ccc(F)cc1 175100826 KOPVNEOJVCIBLO-UHFFFAOYSA-N 281.396 3.780 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H](C)c2ccccc2)cc1C 303771015 CDXQOKANXXLINE-OAHLLOKOSA-N 281.403 3.834 30 20 CHED CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C#N)c1 33565559 RCGMUPITSYCAHY-QGZVFWFLSA-N 294.354 3.663 30 20 CHED C#CCCCCC(=O)NC[C@]1(C)CCCc2ccccc21 120752712 QSERILFHKVJFTE-IBGZPJMESA-N 283.415 3.590 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2cc(F)ccc21 124642234 CIHWOGOOPLZZLU-UHFFFAOYSA-N 273.351 3.873 30 20 CHED CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1sccc1C#N 184659375 MSVLJBZLIPRSKA-AAEUAGOBSA-N 292.404 3.544 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccccc1Oc1cccnc1 129604436 DZWNMZVOXLXVMZ-AWEZNQCLSA-N 281.359 3.608 30 20 CHED CC(C)(C#N)CN[C@H]1CCSc2c(F)cccc21 122269357 JXDCMTOELSWTAC-LBPRGKRZSA-N 264.369 3.502 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 185680276 RSAGUCXBLZPBEH-RDJZCZTQSA-N 283.415 3.688 30 20 CHED CCCCSCCC(=O)N[C@H](C)c1cccc(C#N)c1 75274397 MMHGZLOLYRCICQ-CYBMUJFWSA-N 290.432 3.659 30 20 CHED C=CCOc1ccc(CN(C)[C@@H](C)C(C)C)cc1OC 507187188 BHPFYPCVLNCSRC-AWEZNQCLSA-N 277.408 3.736 30 20 CHED N#Cc1cc(Br)ccc1CSCC1CC1 521937403 DRUUTWQHVJUCJZ-UHFFFAOYSA-N 282.206 3.964 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cccc(-c2cnco2)c1 185425948 GLOILJFTPGAXJG-LBPRGKRZSA-N 270.332 3.882 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1ccc(CC(C)C)cc1 503464222 IGTSFRRUFDKNIA-OAHLLOKOSA-N 273.420 3.899 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1SCCc2sccc21 79512840 SMOKDHXDTYTVOC-CYBMUJFWSA-N 281.446 3.503 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1ccc(-c2ccccc2)nn1 187998188 ZTLUNLHIOGPGAM-GOSISDBHSA-N 295.386 3.709 30 20 CHED CC(C)C1(C)CCN(C(=O)NCc2ccc(C#N)cc2)CC1 186213687 BOCMFQSVPYOOPG-UHFFFAOYSA-N 299.418 3.526 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OCC(C)C)cc1 410127041 HYUVCIZLKGNQQE-HNNXBMFYSA-N 275.392 3.806 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(F)c(F)cc1F 182628934 LNMWUKWYVMRXHE-VIFPVBQESA-N 271.282 3.579 30 20 CHED CC[C@@H](C)[C@H](C)NCc1ccc(Br)cc1C#N 310310477 TUTFVRLILQJQHF-MNOVXSKESA-N 295.224 3.845 30 20 CHED C=CCCOCCN[C@@H](CCC)c1ccsc1 187807450 XNQSXXRPABUOKQ-AWEZNQCLSA-N 253.411 3.772 30 20 CHED Cc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)oc1C 129445028 JRRKEWUTIVWLAV-GFCCVEGCSA-N 269.300 3.686 30 20 CHED C=CCn1c(N2CCC(C(C)C)CC2)nnc1C(C)(C)C 508734855 TUXZMGZOTLUCRI-UHFFFAOYSA-N 290.455 3.634 30 20 CHED CN(C(=O)c1cccc(SCC#N)c1)c1ccccc1 79386973 GDRTYBRJSOJCBS-UHFFFAOYSA-N 282.368 3.579 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)C1CC1 78320891 CQHZXOQFZXUCHK-SNVBAGLBSA-N 298.839 3.898 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)c1ccccc1F 410144662 HZSHZGPNLWYNSH-STQMWFEESA-N 263.356 3.790 30 20 CHED Cn1ncc(Cl)c1/C=C\C(=O)c1ccc(Cl)s1 210364659 UOYQYRSNXJOEGC-IHWYPQMZSA-N 287.171 3.685 30 20 CHED C[C@H](NC(=O)N(C)CC(C)(C)C#N)c1ccc(C2CC2)cc1 419567197 PZAVJKYQLICKBO-ZDUSSCGKSA-N 299.418 3.816 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccccc1Cl 180292264 SNRDYNDLLXVPLP-NSHDSACASA-N 266.772 3.619 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 414103177 NKFVXRLGOUSEQX-NEPJUHHUSA-N 296.436 3.715 30 20 CHED C=CCn1c(SCCC)nnc1-c1cccs1 123205690 HKXFTFQJTODHLX-UHFFFAOYSA-N 265.407 3.695 30 20 CHED C=CC[C@@H](C(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1 187800719 VKWBNACZPZSQMV-MRXNPFEDSA-N 297.402 3.937 30 20 CHED CC(C)CC1(CNC(=O)N2CCC(C#N)CC2)CCCC1 126093561 URFKAWIDXHOCMF-UHFFFAOYSA-N 291.439 3.538 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccccc1O[C@@H](C)C#N 186943614 CSBNXFSKFZFIHI-DCGLDWPTSA-N 286.375 3.598 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1C 182027616 MAWYCTMHTGAOLI-AWEZNQCLSA-N 294.354 3.847 30 20 CHED CC(/C=C\c1nc(C(=O)O)ccc1C#N)=C\c1ccccc1 508603446 JDHLIAMVICUVEH-OJNBOFHUSA-N 290.322 3.768 30 20 CHED Cc1ccc(CNCc2ccc(N(C)CCC#N)cc2)s1 78496642 OLAXHXCMCQNPHI-UHFFFAOYSA-N 299.443 3.696 30 20 CHED COc1cc(C#N)ccc1CN1[C@H]2CCCC[C@H]2C[C@H]1C 501209653 OPVLDABCWUGMHZ-KMFMINBZSA-N 284.403 3.720 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 135116972 PYTSXPFKYASUAD-IVMMDQJWSA-N 293.432 3.639 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC2(c3ccc(F)cc3F)CC2)C1 185872597 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30 20 CHED N#CCc1ccc(CN(CC2CCC2)CC(F)(F)F)cc1 541349766 RYZYYQSVAFFYIT-UHFFFAOYSA-N 296.336 3.917 30 20 CHED C[C@@H](OC(=O)C(C)(C)C#N)c1cccc(Br)c1 270777344 GMVFBHBWSNOFKK-SECBINFHSA-N 296.164 3.603 30 20 CHED CO[C@@]1(C)C[C@@H](Nc2nc(C)c(C#N)cc2Cl)C1(C)C 360074161 QGGBPRHCCGCSQL-DOMZBBRYSA-N 293.798 3.531 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 455308634 JUVRYSOJVWKSFR-CVEARBPZSA-N 286.419 3.849 30 20 CHED C=C(CC)CNC(=O)c1sc(-c2cccs2)nc1C 453022911 RTMPQBBEUVDIIP-UHFFFAOYSA-N 292.429 3.876 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(-c2ncco2)c1C 455496099 WUAAUKFETBJTJJ-NSHDSACASA-N 285.347 3.736 30 20 CHED Cc1ccccc1C1CCN(C(=O)C2(C#N)CC(C)C2)CC1 541743425 PKUMOUAZASZEHW-UHFFFAOYSA-N 296.414 3.641 30 20 CHED N#CCCCC(=O)N[C@@H]1C[C@@H]1c1cccc2ccccc12 360465723 FDSAOGIEVOENKQ-IAGOWNOFSA-N 278.355 3.506 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c2c(cc3c1CCC3)CCC2 362364331 UCALXAPMUKHNKV-ZDUSSCGKSA-N 299.414 3.584 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)Nc2cccc(CC#N)c2)C1 455924604 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CC[C@H](NCC[C@@H]1CCO[C@H](C)C1)c1ccc(C#N)cc1 278693462 KNWMMAZVZQTHQH-RKVPGOIHSA-N 286.419 3.804 30 20 CHED CC(C)(C#N)CC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 377306176 UMNDQDSYYOHEOG-VQIMIIECSA-N 296.414 3.854 30 20 CHED CCCC[C@@H](NC(=O)c1cccc(C#N)c1)C1CCC1 465115739 TVJYNOWNMOIJPY-MRXNPFEDSA-N 270.376 3.647 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@@H]1CC 465019634 ZHQFYTVFDPPPOR-LSDHHAIUSA-N 266.429 3.953 30 20 CHED N#CCc1ccc(COc2ccccc2OC(F)F)cc1 544079529 KZFPSSLKILWQEW-UHFFFAOYSA-N 289.281 3.933 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)CC1CCCCC1 549261922 GOQLRFLSZALMGZ-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1ccccc1F)c1ccco1 285916391 DMTLMUYDWYRFDS-JKSUJKDBSA-N 289.350 3.749 30 20 CHED Cc1ccc2c(C)cc(N3CCC(CC#N)CC3)nc2c1 545891573 ZBEOYCGKIMXHHP-UHFFFAOYSA-N 279.387 3.982 30 20 CHED C=CCN(CCc1ccco1)C(=O)Cc1ccccc1CC 467915314 CWAHFHRUQYWYME-UHFFFAOYSA-N 297.398 3.642 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cc(C)ccc1F 620864502 GNJYSLOBMFVIDU-UHFFFAOYSA-N 263.356 3.538 30 20 CHED CCCCc1ccc(NC(=O)CC(C)(C)C#N)cc1 468901420 JSJKHVVPJGZJLV-UHFFFAOYSA-N 258.365 3.908 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(C2=CCCC2)cc1 464028781 PKNSDTPIDBEUOE-MRXNPFEDSA-N 282.387 3.922 30 20 CHED CC#CCCCC(=O)NC(CC(C)C)CC(C)C 464437334 NZIWWPBGYCBHOM-UHFFFAOYSA-N 251.414 3.757 30 20 CHED CC[C@@H](NCc1ccc(C#N)cn1)c1ccc(Cl)cc1 554077065 MJAFMKKONQVQEN-MRXNPFEDSA-N 285.778 3.848 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(=C)CC1 283185335 GNIBMHIWIXQDAE-CQSZACIVSA-N 274.412 3.524 30 20 CHED N#Cc1ccccc1CSCCN[C@@H]1CCC[C@H]2C[C@H]21 558699467 OTCVWQRDVAAPSK-IAOVAPTHSA-N 286.444 3.570 30 20 CHED N#Cc1ccnc(N2CC[C@@H](Cc3ccccc3)C2)c1Cl 553080446 KDAKCRCYFQVMBI-AWEZNQCLSA-N 297.789 3.676 30 20 CHED C=CCN(CCc1ccccc1)[C@H](c1nccn1C)C1CC1 637974595 PHIREAQQQQUWOZ-SFHVURJKSA-N 295.430 3.602 30 20 CHED CC[C@@H]1CCCCCN1C(=O)[C@H](C)c1cccc(C#N)c1 462206796 ISZOPLFTVRNRJM-RHSMWYFYSA-N 284.403 3.843 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(F)c(OC)cc1C 281289057 CHSFECHTLRBZJS-NSHDSACASA-N 280.343 3.619 30 20 CHED C[C@](C#N)(NC(=O)[C@@H]1CC12CCCCC2)C1CCCCC1 550742874 DJLFOMHDIGEHJR-DOTOQJQBSA-N 288.435 3.936 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 280620186 GRMYLHCYPBCUAH-DCGLDWPTSA-N 275.367 3.790 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2CCCc2ccccc2)c1 557624303 CCNKGQZMWPRSFW-SFHVURJKSA-N 291.398 3.945 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(F)cc1F 280719345 UVTGDNUUSUNBRI-OZVIIMIRSA-N 281.346 3.597 30 20 CHED C=CCOCCSc1ccc(Br)cc1 554969199 HHIKJJFQSMWJCE-UHFFFAOYSA-N 273.195 3.744 30 20 CHED C=CCCCCCN(C)C(=O)C1(CCOC)CCCC1 472262324 WKWPGJQZJOQOSW-UHFFFAOYSA-N 281.440 3.788 30 20 CHED C=CCn1c(C)nnc1SC[C@@H]1CCCCC1(F)F 296388408 URSRWNYHWULSEY-NSHDSACASA-N 287.379 3.690 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(C2CC2)cs1 292476700 LNNMAMPQYLBZHL-UHFFFAOYSA-N 250.367 3.561 30 20 CHED C#CCCCN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 800454060 OFGIVVJQLMBUDY-QZTJIDSGSA-N 251.373 3.720 30 20 CHED C=CCCC1(C(=O)NCc2ccccc2OCC2CC2)CC1 476084141 GFTRGCBRCRWYJX-UHFFFAOYSA-N 299.414 3.838 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 476646715 RSKRYPLTCPKENL-IRXDYDNUSA-N 298.430 3.969 30 20 CHED C=CCOCCCSc1nc2ccc(Cl)cc2[nH]1 475951069 CHRTWVCIAWUVOD-UHFFFAOYSA-N 282.796 3.901 30 20 CHED C=CCOCCCN1CCS[C@@H](C)[C@H]1c1ccccc1 470762008 NWVDKTSMTUCZRF-RDJZCZTQSA-N 291.460 3.758 30 20 CHED C=CCN1CCC(Nc2nccc3ccc(C)cc23)CC1 564893004 QJCBFFOVGPXZQJ-UHFFFAOYSA-N 281.403 3.606 30 20 CHED CC[C@@H](CC#N)NCCc1ccc2ccccc2c1 565959117 IYVUNAHVQVYENS-KRWDZBQOSA-N 252.361 3.664 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)cc1 647374990 PRSVIEDHIKVTQG-CYBMUJFWSA-N 282.368 3.819 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 293389870 NNLUSTQDIACYTR-LBPRGKRZSA-N 290.363 3.683 30 20 CHED N#Cc1cc(Nc2cccc(Oc3ccccc3)c2)ncn1 390517696 SYOFKYQLWPNYLZ-UHFFFAOYSA-N 288.310 3.884 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC23CCC3)c1 800481764 ZZZRQIJXHXIFHU-WBVHZDCISA-N 284.403 3.790 30 20 CHED C=CCCC1(C(=O)N[C@H](C)CCCC(F)(F)F)CC1 477084120 FIKUKCAZRCCWNS-LLVKDONJSA-N 277.330 3.970 30 20 CHED CCC[C@@H](CC)SCC(=O)Nc1ccc(C#N)cc1 477055586 GZBBTFPWWZLEOD-CQSZACIVSA-N 276.405 3.809 30 20 CHED C[C@H]1CC[C@H](C=NNc2nc(C(F)(F)F)cs2)C1 800814056 OVHVKUBPYKPQDY-YUMQZZPRSA-N 277.315 3.996 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2cccc(OC)c2o1 644963379 ZYWVRQFFRKVUAE-UHFFFAOYSA-N 287.359 3.774 30 20 CHED CC(C)SCCOC(=O)C[C@@H](CC#N)c1ccccc1 803513364 SRTDCFHKZPNINY-OAHLLOKOSA-N 291.416 3.759 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 295220738 XUKPSVJECDFDHR-JTQLQIEISA-N 296.754 3.641 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(C(F)F)[nH]n2)CCCC1(C)C 640209573 IWJHGFBOVXDHBZ-GFCCVEGCSA-N 297.349 3.554 30 20 CHED CC(C)CN(CCO[C@@H](C)C#N)c1ccc(Cl)cc1 801935235 XARAUHJVKCNJJT-ZDUSSCGKSA-N 280.799 3.731 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](NC(C)C)C2)CCCCC1 648907900 KSRQGSLSBHUOSI-INIZCTEOSA-N 292.467 3.502 30 20 CHED CCSCC(=NOCc1cccnc1)c1ccccc1 807978877 GRIFEAKMWKPSMB-UHFFFAOYSA-N 286.400 3.756 30 20 CHED CC[C@@H]1CCCN1Cc1ccccc1C(C)(C)C#N 487389550 JFEHXKXTTIKGFJ-OAHLLOKOSA-N 256.393 3.862 30 20 CHED CC(C)[C@H](CC(=O)N[C@]1(C#N)CC1(C)C)c1ccccc1 484904194 BJLVGYYBDOBYQT-YJBOKZPZSA-N 284.403 3.625 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCC(=O)[C@@H](C)C1 487676056 UKDKXNCPDCOXNN-HOCLYGCPSA-N 291.435 3.587 30 20 CHED N#CCc1ccccc1NC(=O)C1=CCCCCC1 569150740 VVAONHUNIHYPIJ-UHFFFAOYSA-N 254.333 3.582 30 20 CHED CC(C)(C#N)Cc1nc(C23CC4CC(CC(C4)C2)C3)no1 485825541 FHYVTBHWPLCHDY-UHFFFAOYSA-N 285.391 3.630 30 20 CHED CON(Cc1ccc(C#N)cc1)Cc1ccccc1Cl 810138050 ADANLSIKZJBCFT-UHFFFAOYSA-N 286.762 3.775 30 20 CHED CCc1cnc(C=NNc2ccccc2Cl)s1 814691109 NGACWOUTQKQTHS-UHFFFAOYSA-N 265.769 3.805 30 20 CHED COc1ccc(C=NOC2CCC2)cc1OCC(C)C 812235372 DYAKLPDAKWXGGS-UHFFFAOYSA-N 277.364 3.633 30 20 CHED CC(C)CSCCCN[C@H]1CCc2ccc(C#N)cc21 576435967 DPGPYIZRJPRGFG-KRWDZBQOSA-N 288.460 3.914 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC[C@@H]1C[C@H]2CC[C@H]1O2 658035396 MTADTLABANLYGR-WRQOLXDDSA-N 263.425 3.669 30 20 CHED CCC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)C1CCCC1 819366499 QXMVGPJXQRNKGE-MSOLQXFVSA-N 286.419 3.540 30 20 CHED CC(=NNc1ccnc(F)c1)c1cccc(C2CC2)c1 814902820 WJFCWLCPLLQAKB-UHFFFAOYSA-N 269.323 3.934 30 20 CHED C[C@H](COc1ccccc1)N[C@H]1CCc2ccc(C#N)cc21 810213963 KFZZAKABJNMTKF-KUHUBIRLSA-N 292.382 3.603 30 20 CHED C=CCCCCCCCN[C@@H]1CCCc2nn(C)cc21 810242795 HMVJQPMFMATPIK-MRXNPFEDSA-N 275.440 3.914 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 570950136 ILQREWZXLHBPEZ-GHMZBOCLSA-N 296.823 3.656 30 20 CHED C=CCC(F)(F)C(=O)N(CCc1ccccc1)CC(C)C 814956576 FSFNGZMOFWTHFR-UHFFFAOYSA-N 295.373 3.925 30 20 CHED CCCCCCCCOC(=O)C1(C)CCOCC1 726839925 WCPFYNGESFDFPX-UHFFFAOYSA-N 256.386 3.707 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 481861913 DVYGKOAEBIHWOR-HOCLYGCPSA-N 279.424 3.587 30 20 CHED C[C@@H](C=NNc1nc(-c2ccccc2)no1)c1ccccc1 726739137 FKVRQBFTTYIQJV-ZDUSSCGKSA-N 292.342 3.938 30 20 CHED C=CC[C@H](C)C(C)=NNc1ncnc2sccc12 727776921 ICQSDSPDFHZCAS-VIFPVBQESA-N 260.366 3.691 30 20 CHED CC[C@@](C)(C#N)c1nc(C(C)(C)c2ccccc2OC)no1 571840407 ZOJCKYHFLAOYJE-KRWDZBQOSA-N 299.374 3.595 30 20 CHED CC(C)(CC#N)CSc1cccc([N+](=O)[O-])c1 578144519 WCSLUTLQNOKFIQ-UHFFFAOYSA-N 250.323 3.627 30 20 CHED CC(C)C1(C)CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 573972403 YNYVCKDTWQEPDI-UHFFFAOYSA-N 287.363 3.729 30 20 CHED C=CC[C@@H](NC(=O)[C@H](CC)CCC)c1ccncc1 820018309 PMYIQOYKUHJJCG-UKRRQHHQSA-N 260.381 3.641 30 20 CHED CC(C)(C)[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 499787728 WSMPQMVTVPJYOJ-INIZCTEOSA-N 292.467 3.845 30 20 CHED CC(C)C[C@H](C)CN1CCC[C@]2(CCCCO2)[C@H]1C#N 499766454 BPNLJEKWOZGBJS-GVDBMIGSSA-N 278.440 3.596 30 20 CHED CCCCCCCCCC(=O)NC(C)(C)c1noc(C)n1 729357474 VSPKDZZGSQIZDK-UHFFFAOYSA-N 295.427 3.870 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 491808457 VYSYCDPOZUQAAU-UONOGXRCSA-N 297.320 3.641 30 20 CHED C=CCC(CC=C)c1nc(Cc2cnccc2C)no1 664979538 AUWJXHAUXLRGFY-UHFFFAOYSA-N 269.348 3.600 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(C)c1cccc(C#N)c1 584391036 ORDBZBYPMUGUSJ-GOEBONIOSA-N 270.376 3.737 30 20 CHED CC[C@H](c1ccccc1)N(CC)c1ncccc1C#N 498960435 RXRWXNWTGDULOH-MRXNPFEDSA-N 265.360 3.931 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H]1CCCc2nc(C)sc21 820062663 DSOBRNPZTGBPEQ-LBPRGKRZSA-N 279.405 3.974 30 20 CHED CC(=NNc1cnccn1)c1ccc(SC(C)C)cc1 728426239 YJNMLNBWHBDKGR-UHFFFAOYSA-N 286.404 3.813 30 20 CHED C[C@H](CCNC(=O)c1ccsc1C#N)c1ccccc1 906489490 WSFFJAVHPKYLNO-GFCCVEGCSA-N 284.384 3.543 30 20 CHED N#CC1(CCCCN2C[C@H](CCN)c3ccccc32)CCC1 903789684 ZRXLWPLLKJISQD-INIZCTEOSA-N 297.446 3.803 30 20 CHED CN(C)c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 589962860 BVBMKIYSSZUYPR-UHFFFAOYSA-N 256.736 3.945 30 20 CHED Cc1ccc(/C=C/C(=O)c2cnnn2-c2ccccc2)s1 821008902 UECSBVRBLMSRAV-MDZDMXLPSA-N 295.367 3.533 30 20 CHED C=C[C@@](C)(O)C(=O)Nc1ccc(S[C@H](C)CC)cc1C 667674817 QTNRRRNLMXJPHE-MLGOLLRUSA-N 293.432 3.761 30 20 CHED CC(=NNc1cnnc2ccccc12)c1ccc(C)s1 733748258 NHRFHOKFLXHPAT-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C=CC[C@H](C)NC(=S)N[C@H](CC)c1cccs1 734987126 OLCUHKIIXBNMQO-WDEREUQCSA-N 268.451 3.628 30 20 CHED CC(C)(C#N)CCSCc1cccc(C(=O)O)c1 826072064 RXIUVOYUARDIKB-UHFFFAOYSA-N 263.362 3.558 30 20 CHED C=CCCC(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 588102409 OWGJGSFNJRCGMK-SJLPKXTDSA-N 287.403 3.579 30 20 CHED C=CCCCC[C@H](C)NC[C@H]1CCCN(CC2CC2)C1 663466483 UMFUWHSOVMESRP-FUHWJXTLSA-N 278.484 3.833 30 20 CHED CC[C@H](NCCNc1ccccc1)c1cccc(C#N)c1 902835393 FXJNLJDLMICKJS-SFHVURJKSA-N 279.387 3.711 30 20 CHED COc1cccc(/C=N\[C@H]2CCc3ccc(F)cc32)c1O 730146856 HMEDWWRCGYLOKB-HNIBHBHRSA-N 285.318 3.646 30 20 CHED Cc1cc(C#N)nc(N2C[C@H](C)CC[C@@H]2c2ccccc2)n1 588071855 HMKXBOHOFVFXQV-CXAGYDPISA-N 292.386 3.634 30 20 CHED C#C[C@@H](NCc1cncn1C(C)C)c1ccc(Cl)cc1 491418807 SKZBFRXGZAGZQF-MRXNPFEDSA-N 287.794 3.582 30 20 CHED C#CCNC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 490590139 PIXAPYYWBJBIIP-CQSZACIVSA-N 298.411 3.654 30 20 CHED CC1(C)OCC[C@H]1NN=C1CC(c2cccc(Cl)c2)C1 835018586 ZJGSWQBYPVMRMH-WPZCJLIBSA-N 292.810 3.731 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)Cc2cc(F)ccc21 734305008 DOXAPIUGQAYXDA-WDZFZDKYSA-N 274.241 3.926 30 20 CHED CC[C@@H](N[C@H](COC)c1ccc(C)o1)c1cccc(C#N)c1 902831432 YMGMONBQPQZRNB-IAGOWNOFSA-N 298.386 3.888 30 20 CHED N#Cc1ccc(C(=O)OCC2CCC(F)(F)CC2)cc1 837335337 IXOKYGMWVFVZPT-UHFFFAOYSA-N 279.286 3.541 30 20 CHED C=C(C)CCc1noc(-c2cc(O)ccc2C(F)(F)F)n1 580800508 IWVUNISTPCZJHP-UHFFFAOYSA-N 298.264 3.970 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(C2CC2)c1 908666147 BOLXXVWNRZJNDA-KRWDZBQOSA-N 297.398 3.704 30 20 CHED CCn1ccnc1C(C)=NNc1ccc(C(C)C)cc1 835017913 CLUUKUJUVISELU-UHFFFAOYSA-N 270.380 3.863 30 20 CHED Cc1ccc(F)c(COC(=O)[C@@]2(C#N)CC23CCCC3)c1 837902527 MLOOFCMMVKTEHQ-KRWDZBQOSA-N 287.334 3.651 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2sccc2Cl)C1 839062800 NVHHRXWYKZAYAI-BDAKNGLRSA-N 269.753 3.641 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(CC)s1)c1ccncc1 734457114 GIODVDMZAPZDEL-CQSZACIVSA-N 286.400 3.753 30 20 CHED C=CCCCC[C@H](C)N[C@@H](CC(C)(C)C)C(=O)O 901805213 GDQDZYYVHMVCKT-STQMWFEESA-N 255.402 3.600 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)SCCCC)c1ccncc1 734233934 CDYGIGYVRWSOQR-UKRRQHHQSA-N 292.448 3.737 30 20 CHED COc1ccccc1CC(C)=NOCc1ccccc1 839420220 ZDUOBESSXQKHSW-UHFFFAOYSA-N 269.344 3.830 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 674933639 DRVZJWVATHEDGJ-ZFWWWQNUSA-N 297.402 3.631 30 20 CHED COc1ccc(CNN=C(C)c2ccc(C)s2)cc1 917547269 NAZGNKDPTXAJFI-UHFFFAOYSA-N 274.389 3.579 30 20 CHED Cc1ccc(F)cc1COC(=O)[C@]1(C#N)CC12CCCC2 837903522 RPGLRZCBEDKRBL-QGZVFWFLSA-N 287.334 3.651 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)CCCCCC#N 588156505 XXANJDMTBRDJAL-CABCVRRESA-N 264.413 3.936 30 20 CHED C[C@@](C#N)(NC(=O)/C=C/c1cccs1)C1CCCCC1 734240922 WRCSMEGQSYEDAI-SCOAYWHSSA-N 288.416 3.740 30 20 CHED COc1cccc(O)c1/C=N\CC1(c2ccccc2)CCC1 839387220 BARUSMYFYFVOMQ-MOSHPQCFSA-N 295.382 3.942 30 20 CHED COc1cc(Cl)ccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839049723 SCBHRHXWUADXOO-ZYHUDNBSSA-N 293.750 3.588 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(C)n(C)n1 918397443 DXLMXDVFEHAGDQ-UHFFFAOYSA-N 279.428 3.551 30 20 CHED CC[C@@H](NC[C@@H](OC)C1CCCC1)c1ccc(C#N)cc1 595093470 BFLBILBVSZBIBB-QZTJIDSGSA-N 286.419 3.804 30 20 CHED N#CC1(CNC(=O)Nc2ccc3c(c2)CCCCC3)CCC1 593274270 ROZKUVOKXDWIEY-UHFFFAOYSA-N 297.402 3.771 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 835348568 PIRZDQMPWCTDJW-RDBSUJKOSA-N 293.370 3.632 30 20 CHED Fc1ccc(/C=C/C=NNCc2cc(F)ccc2F)cc1 747753987 YCGJNDZVYONQBX-XJGNLEOYSA-N 290.288 3.893 30 20 CHED C=CCCOC(=O)COc1ccc(-c2ccccc2)cc1 740184137 NRPPZSYEGSRIPL-UHFFFAOYSA-N 282.339 3.852 30 20 CHED N#CC1(CCOc2ccc(C=O)cc2F)CCCCC1 842037678 DPRDOZPWQUPRKY-UHFFFAOYSA-N 275.323 3.881 30 20 CHED C=CCCSCCNC(=S)Nc1cc(C)ccc1F 849278464 ZJVBGGFSBQSUTL-UHFFFAOYSA-N 298.452 3.730 30 20 CHED c1ccc(NN=C2CC3(CCCC3)Oc3ccccc32)nc1 749811901 FXXDUHQWHYAHGV-UHFFFAOYSA-N 293.370 3.993 30 20 CHED CC(=NOCc1cccnc1)[C@@H](C)c1ccccc1 746586245 UJOVUFNJWWMWJY-CYBMUJFWSA-N 254.333 3.778 30 20 CHED CC1(C)CC=C(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 590861930 TZEHYQMTTODAJW-QGZVFWFLSA-N 294.398 3.798 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 593399816 RQNXWAAGMDEDDV-DTWKUNHWSA-N 285.174 3.720 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)c1ccc(C)o1 742510166 IPGIYWYMCSVROK-CYBMUJFWSA-N 289.400 3.968 30 20 CHED C=C[C@H](C)ON=C(C)c1cnn(-c2ccc(F)cc2)c1C 844624665 MMBVYKGMQAPVPX-NSHDSACASA-N 287.338 3.635 30 20 CHED O=C(/C=C/c1ccnn1CC1CC1)c1ccc(Cl)s1 849241335 CYWADTQMIKDURH-ONEGZZNKSA-N 292.791 3.904 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(NC2CCCC2)c1 593893723 XDWVXHPHHAHODO-GFCCVEGCSA-N 271.364 3.529 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@@H](CC)C1)C(C)C 741091662 UGDCWCJWDTXCAB-ZIAGYGMSSA-N 252.402 3.561 30 20 CHED N#Cc1ccc(NCc2c(O)ccc3c2CCCC3)cc1 742420058 WDLJOJIWSFUQHJ-UHFFFAOYSA-N 278.355 3.755 30 20 CHED C=C(CNc1nc(C)cc(C(F)(F)F)n1)c1ccccc1 673461463 AKYQPKGWJBWINW-UHFFFAOYSA-N 293.292 3.929 30 20 CHED COc1ccc(/C=C/C(=O)C2CCCCC2)cc1F 747003198 BHQNVLFEPBNHFU-VQHVLOKHSA-N 262.324 3.997 30 20 CHED N#CC[C@H]1CCCN(C/C=C/c2ccc(F)cc2F)C1 597176693 JIBPNZCYDGJXPD-CXLRFSCWSA-N 276.330 3.604 30 20 CHED COc1ccccc1C=NNc1ccc(Cl)c(F)c1 747635767 OVKUHQICUUYUSF-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CC(=NNc1cccc(C)c1)c1ccccc1[N+](=O)[O-] 916256426 YAGSFDGRQRDOAS-UHFFFAOYSA-N 269.304 3.739 30 20 CHED Cc1nnc(C)n1N=Cc1cc(-c2ccccc2)cs1 917539867 HGNNKZNOEUMICG-UHFFFAOYSA-N 282.372 3.506 30 20 CHED C[C@@H]1CCCC(=NNCc2cccc3cccnc23)C1 915959471 MTCDLNYQYQNXSJ-CYBMUJFWSA-N 267.376 3.891 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H](CC(C)C)c1ccccc1 594089055 MJVOJHBCPGUTIH-HOTGVXAUSA-N 272.392 3.577 30 20 CHED CCCCC[C@H](C)CC(=O)N[C@H](C#N)CC(C)C 742617538 LYRNNRUVPXAKIB-KBPBESRZSA-N 252.402 3.647 30 20 CHED CC(=NNc1nccc2sccc12)c1ccncc1 915980082 OZPCNCSVNPUDRJ-UHFFFAOYSA-N 268.345 3.527 30 20 CHED Cc1cc(NN=Cc2cc3cc(C)c(C)cc3o2)ncn1 749814095 JPNKPBZXJODGQL-UHFFFAOYSA-N 280.331 3.594 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H](C1CCC1)C1CC1 840317961 BZVWVHPDUSONSC-JTQLQIEISA-N 267.785 3.659 30 20 CHED CCc1cccc(CN(CCC#N)CCC(C)C)c1O 848886471 UKHNUCYPEDRZLL-UHFFFAOYSA-N 274.408 3.716 30 20 CHED CCOc1ccc(/C=N\C[C@H]2CCCC2(F)F)c(O)c1 840708626 HTJSCELGNVDFEX-HALGXTDHSA-N 283.318 3.645 30 20 CHED C=CCCCNC(=N)Nc1c(CC)cccc1CC 849110367 GICIVZVXUANUQB-UHFFFAOYSA-N 259.397 3.714 30 20 CHED C[C@@H](C#N)N(C(=O)CCC(C)(C)c1ccccc1)C1CC1 598132361 HUHVJVTUEHEPOS-AWEZNQCLSA-N 284.403 3.647 30 20 CHED Fc1cc(F)cc(NN=CC2=Cc3ccccc3OC2)c1 920374466 BDMXEZGXXIUSDY-UHFFFAOYSA-N 286.281 3.839 30 20 CHED C=C(C)CNc1nnc([C@H](C)Oc2cccc(C)c2C)o1 849162046 RCYIWLMSOVGPPW-ZDUSSCGKSA-N 287.363 3.814 30 20 CHED CCC(C)(C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 745952225 QAEIGQOLUKXPRX-LBPRGKRZSA-N 283.375 3.874 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@@H](C)CC(F)(F)F)c1 840712603 JWFFQVMEJOPOGY-NTOSSWPYSA-N 289.297 3.798 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H]2OCC[C@@H]2C1 843979710 VYTWWYQNFSXGRX-CVEARBPZSA-N 281.440 3.765 30 20 CHED CC#CCCN1CCC[C@H]1c1ccccc1Br 680884673 OMVQKWCYCMDZAO-HNNXBMFYSA-N 292.220 3.999 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](C)c2ccco2)CCCC1(C)C 683457600 BELRAXUKFXVDAA-DZGCQCFKSA-N 275.392 3.976 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cccc(Br)n1 926521252 NBFWJWVUJDJZLU-JTQLQIEISA-N 283.213 3.707 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccccc1Cl 851214710 VLNNYRUDGRTUAZ-SNVBAGLBSA-N 265.740 3.825 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C\c2cccs2)C1 855437676 ZOSGLIJJBHEPHI-YXVBKTCISA-N 261.390 3.576 30 20 CHED CC(C)=C(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 752720457 MJSWSOKGERQTPK-UHFFFAOYSA-N 295.304 3.529 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H]1c1cccnc1 858111653 NJNSJWPRGJDEAW-INIZCTEOSA-N 289.423 3.899 30 20 CHED C=C[C@@H](OC(=O)CC[C@@H]1CCCCO1)c1ccccc1 851454308 ZUECFJOWTPYSSG-JKSUJKDBSA-N 274.360 3.806 30 20 CHED N#Cc1ccccc1C=NOc1ccccc1C(F)(F)F 755815393 ICMCJMHYBSXOBF-UHFFFAOYSA-N 290.244 3.990 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@]2(C)CC2(Cl)Cl)C1 855437173 SQELWKGVFIMVJO-WCQYABFASA-N 290.234 3.775 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 929940962 JTGAKXAAKBFTHK-GJZGRUSLSA-N 292.382 3.848 30 20 CHED CC(C)CCSCC(=O)O[C@@H](C)CC(C)(C)C#N 851211085 ZKDSNYBQEVUWFO-LBPRGKRZSA-N 271.426 3.637 30 20 CHED COC(=O)c1cccc(NN=C2CCC[C@H]2CCF)c1C 853398360 ZIGYMIWTUNRWJW-LBPRGKRZSA-N 292.354 3.709 30 20 CHED C[C@@H](Sc1ccc(F)cc1)C(=O)OCCC(C)(C)C#N 924249264 FXNAWBFTKQDEPW-LLVKDONJSA-N 295.379 3.789 30 20 CHED Cn1ccnc1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 920963952 YNDYECVSLAHIEA-HWKANZROSA-N 281.142 3.623 30 20 CHED CCN(C[C@@H](C)C#N)C(=S)Nc1ccc(Cl)cc1 920995168 UNMWSRITPXCBEY-JTQLQIEISA-N 281.812 3.518 30 20 CHED Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C#N)C1 929190265 WZGYYSNTJNCUER-AWEZNQCLSA-N 285.391 3.886 30 20 CHED FC(F)(F)c1ccnc(NN=C[C@@H]2CC2(Cl)Cl)c1 853352826 IQAHEXAUMIZZOO-ZETCQYMHSA-N 298.095 3.692 30 20 CHED CC(C)CCCCCC(=O)N1CCC[C@@](C)(C#N)C1 753165067 WSSMUHSFPNVQFY-INIZCTEOSA-N 264.413 3.745 30 20 CHED CCC1(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CCC1 751826002 OZTSKHCPAOWGJO-CQSZACIVSA-N 278.355 3.991 30 20 CHED CCCCCCCCCN(C)C(=O)c1nn(C)cc1Cl 858703197 OKGHQJGPNWBTLZ-UHFFFAOYSA-N 299.846 3.896 30 20 CHED Cc1ccc(COC(=O)CC2(C#N)CCCCC2)s1 850885040 HBDIRBZZQQGHGZ-UHFFFAOYSA-N 277.389 3.964 30 20 CHED C=C(C)CCOC(=O)c1cccc(C(F)(F)F)c1F 751177698 WRMLGYKICCZNQR-UHFFFAOYSA-N 276.229 3.968 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)nc2)C1 853827484 YWVDSSNALCOICO-NSHDSACASA-N 279.771 3.555 30 20 CHED C#CC[C@@H](NCc1ccccc1F)c1ccccc1 756996739 RELCJVCQKLEYDU-QGZVFWFLSA-N 253.320 3.680 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2CCc3c(OC)cccc32)c1 759643381 MICBLWNSSOUMML-ZVCOJXFSSA-N 297.354 3.516 30 20 CHED CC[C@H](/N=C\c1cccc(OC)c1O)c1c(C)noc1C 756848205 YDPPCQHTKIHAGB-OLWAXZHHSA-N 288.347 3.576 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 934212156 MYDZDQSOXHJXLF-CHWSQXEVSA-N 290.363 3.683 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C[C@H]1C[C@H]2C=C[C@H]1C2 755650590 KBCDDBGUSYLEQT-GARJFASQSA-N 291.738 3.858 30 20 CHED C=C(C)CCOC(=O)C(F)(F)c1c(F)cccc1F 757453926 GBRNMOPZGWDMLU-UHFFFAOYSA-N 276.229 3.566 30 20 CHED N#CCCCCCC(=O)OCCc1ccnc2ccccc12 851303162 PHLIJMXHJUCURI-UHFFFAOYSA-N 296.370 3.795 30 20 CHED C[C@@H]1C[C@H](NCc2cccc(C#N)c2)c2c(O)ccc(F)c21 756394786 YKSZMIQSBJTHSI-ABAIWWIYSA-N 296.345 3.741 30 20 CHED CCN(C)c1ccc(C(C)=NNc2ccc(OC)cc2)cc1 750946060 MZVOGXVJCZELCR-UHFFFAOYSA-N 297.402 3.987 30 20 CHED CCCN(CC(F)(F)F)C(=O)Nc1cc(C)cc(C#N)c1 931701568 WCAOJSZAARQBGW-UHFFFAOYSA-N 299.296 3.673 30 20 CHED C=C(Cl)COc1ccc(CCOC)cc1Cl 863491742 VQMQFUITPXZTGY-UHFFFAOYSA-N 261.148 3.660 30 20 CHED N#CC1(CCCCN2CCC[C@@H](CF)C2)CCC1 931683637 XLAPUEPPCUGUOF-AWEZNQCLSA-N 252.377 3.532 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccccc1OC(C)C 767650895 RVFCPRXHLMLHFS-UHFFFAOYSA-N 274.360 3.567 30 20 CHED C[C@@H]1C[C@@H](CC(=O)[C@@H](C#N)c2ccncn2)CC(C)(C)C1 760351224 DGTRLQVNSIPHQB-RDBSUJKOSA-N 285.391 3.505 30 20 CHED CC#CC(=O)N(Cc1cccc(C(F)(F)F)c1)CC(C)C 862583203 IWCNEEQCQYXUBU-UHFFFAOYSA-N 297.320 3.713 30 20 CHED CCCCCC[C@H](C)NC(=O)c1ccccc1CC#N 864694808 RTHBYGAVTVTTQZ-AWEZNQCLSA-N 272.392 3.841 30 20 CHED CCCCCCN1CCO[C@H](c2cccc(C#N)c2)C1 761759159 WYIGWMAVNUOWFS-KRWDZBQOSA-N 272.392 3.512 30 20 CHED CCO[C@H]1CCCC1=NNc1ccc(F)c(Cl)c1 863178832 HJFDTMIRDHFGHH-ZDUSSCGKSA-N 270.735 3.836 30 20 CHED COc1ccc(/C=C2/CCc3scnc3C2=O)cc1C 863196482 KRSJWBGEVCBDRJ-WQLSENKSSA-N 285.368 3.673 30 20 CHED C#CCCCSc1nnc(SCCCC)s1 766287688 MCBFKTQNDZEIOO-UHFFFAOYSA-N 272.464 3.936 30 20 CHED Cc1coc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 879029623 UGPHXXKANDMDEV-JKSUJKDBSA-N 294.354 3.500 30 20 CHED c1ccc(NN=C2C[C@H]3CCCc4cccc2c43)nc1 763344896 GEEDGYKOKGKOEY-CYBMUJFWSA-N 263.344 3.721 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1OCCC 779739092 YEMCLILKDWTPCF-UHFFFAOYSA-N 273.376 3.998 30 20 CHED COc1nc2ccccc2cc1C=NOCCC(F)(F)F 777459372 INTGZEZWVKYMEV-UHFFFAOYSA-N 298.264 3.546 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1coc2ccccc12 773161689 RLMRBSHROOQKOH-NVNXTCNLSA-N 286.290 3.797 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 879467821 KGKZMOPTGDUQBD-ZFWWWQNUSA-N 272.392 3.593 30 20 CHED C[C@@H](CCC#N)CN[C@@H](c1ccccc1)C1CCOCC1 877042770 WRDLJJGJPXHVAU-YJBOKZPZSA-N 286.419 3.684 30 20 CHED CC1(C)CC(C(=O)N(c2cccc(C#N)c2)C2CCC2)C1 1119427026 YMTWTXMOYCDQIQ-UHFFFAOYSA-N 282.387 3.880 30 20 CHED C=C(C)CNc1nc(C(F)(F)F)nc2ccccc12 777790215 TZZHHILPNPEPRO-UHFFFAOYSA-N 267.254 3.637 30 20 CHED C#CCCCCCC(=O)N(CC=C)Cc1cccs1 779745363 LOXCIQQVKCRJBT-UHFFFAOYSA-N 275.417 3.846 30 20 CHED CC1(C)CC(=NNc2cc(Cl)nc(N)n2)CC(C)(C)C1 779789039 YLMFGRIMQJLDJH-UHFFFAOYSA-N 295.818 3.716 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2CCc3c(Cl)cccc32)c1 775648083 PYLOMKYAVHKCAL-MRXNPFEDSA-N 295.769 3.990 30 20 CHED C#CCCCCCC(=O)Nc1cccc(OC(C)C)c1 1117773864 CBULPNKJJOGPLC-UHFFFAOYSA-N 273.376 3.996 30 20 CHED C=C(C)CNC(=S)N1C[C@H](C(C)C)c2ccccc21 773209265 AHEPLPUITGWRHO-CQSZACIVSA-N 274.433 3.697 30 20 CHED C[C@H]1Cc2ccccc2C1=NOCCC(F)(F)F 777459074 GQIBAIZSXGBZHS-VIFPVBQESA-N 257.255 3.552 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@@H](O)[C@H](C)C1 775556915 WGDHPLCAAUNSNI-ARFHVFGLSA-N 283.456 3.602 30 20 CHED C[C@H](C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 772748865 FKGMWUTYQFPHOR-LBPRGKRZSA-N 283.302 3.544 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1[C@H]2CCCO[C@H]2C1(C)C 773124810 LMWGEWRMXGFZDX-VNHYZAJKSA-N 278.440 3.736 30 20 CHED O=C(O)c1cccc(/C=C2\Cc3cc(Cl)ccc3C2=O)c1 774131670 RERKXEMBSGURBZ-NTUHNPAUSA-N 298.725 3.861 30 20 CHED CCn1cc(C=NNc2ccc(C(C)(C)C)cc2)cn1 779824692 DODOEHFQKJXOOL-UHFFFAOYSA-N 270.380 3.647 30 20 CHED N#CCc1ccc(COC(=O)c2cc3occc3s2)cc1 776110336 OGYIFFUDFNPFKQ-UHFFFAOYSA-N 297.335 3.917 30 20 CHED CCCCCCCN1CCOC[C@H]1c1noc(C(C)C)n1 779632146 NPIIQIURROOHCK-AWEZNQCLSA-N 295.427 3.537 30 20 CHED C=CC(C)(C)CC(=O)Nc1ncc(C2CCOCC2)s1 880197454 UJTHVCIDADJZLQ-UHFFFAOYSA-N 294.420 3.578 30 20 CHED C#CC[C@H](N[C@H](C)c1ccnc(OC)c1)c1ccccc1 788685702 KBKMSDLAYOYQEI-PBHICJAKSA-N 280.371 3.505 30 20 CHED C#CCN(C)C(=O)Nc1ccccc1Oc1cccc(F)c1 788038000 WXFZDPQPMHUONY-UHFFFAOYSA-N 298.317 3.715 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccc2c(c1)CCO2 782322678 HPXAGQVKSYOHDH-GQCTYLIASA-N 297.379 3.852 30 20 CHED CC[C@H]1CCCC1=NNc1nnc(-c2ccccn2)s1 788027510 QWTWBJZMYNQHRA-JTQLQIEISA-N 287.392 3.578 30 20 CHED C=C1CCC(C(=O)OCc2ncccc2Cl)CC1 885649818 LEOMCVMDUJRIPI-UHFFFAOYSA-N 265.740 3.525 30 20 CHED Cc1cc(Br)ccc1OC(=O)CC(C)(C)C#N 784405096 DTZCWTHRKPOSQF-UHFFFAOYSA-N 296.164 3.603 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C\c1ccc2ccccc2n1 785861505 CHQMIPLUJXLIKX-QOHRORDFSA-N 292.382 3.815 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)c(O)c1 899363036 BJCASMMZWSLUSG-VURMDHGXSA-N 282.343 3.518 30 20 CHED CC[C@@H](C#N)OC(=O)Cc1csc2ccc(Cl)cc12 781196723 CHDIIYPQUGTGFK-NSHDSACASA-N 293.775 3.943 30 20 CHED Fc1ccc(CNN=Cc2cc3ccccc3[nH]2)cc1F 788426081 OAAWKSBLQSQRPP-UHFFFAOYSA-N 285.297 3.570 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCC(F)(F)C2)c(CO)c1 893947276 ZJQVVPSNNVGHGZ-CYBMUJFWSA-N 294.345 3.678 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cc(C(=O)O)cs2)c1 782200725 NRXXXPMHQITNOU-ONEGZZNKSA-N 286.352 3.959 30 20 CHED C=C1CCC(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 897002074 QYUNAISVIOOVLE-GOSISDBHSA-N 298.430 3.836 30 20 CHED C=C(C)[C@H](CC(=O)N1Cc2ccccc2[C@H]1CC)OCC 890613200 XCMNFJATTSMEND-SJORKVTESA-N 287.403 3.851 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1ccc(OC)cc1F 899337623 HYAUFBBOTURENX-BQYQJAHWSA-N 289.306 3.589 30 20 CHED N#CCc1cccc(NCCc2ccc(F)c(F)c2)c1 1205849898 WBJQNTSPSFMQGQ-UHFFFAOYSA-N 272.298 3.685 30 20 CHED C[C@H](NN=Cc1cn(C)nc1C1CCCCC1)C(C)(C)C 793114858 NWIGOPIURKIMBW-ZDUSSCGKSA-N 290.455 3.826 30 20 CHED C=CCCOC(=O)c1c(-c2ccccc2)noc1CC 795930946 OWDGRUYGTAEZMG-UHFFFAOYSA-N 271.316 3.637 30 20 CHED C=CC[C@H](CC)NCc1cc(Br)cc(C)c1O 798958613 FZPRCXVAJRFLLM-ZDUSSCGKSA-N 298.224 3.907 30 20 CHED C=CCN(C(=O)[C@@H](CC)c1ccc(OC)cc1)C(C)C 798953447 HDXYAFDMRGCXBW-INIZCTEOSA-N 275.392 3.612 30 20 CHED Cc1cccc(C)c1[C@H](C)OC(=O)c1cc(C#N)oc1C 797956799 MITXEXWRWFSBQK-ZDUSSCGKSA-N 283.327 3.995 30 20 CHED N#CCCCOC(=O)CCc1ccc(-c2ccccc2)o1 796500430 HJSPVDXQLDJOCV-UHFFFAOYSA-N 283.327 3.726 30 20 CHED Cc1ccccc1-n1nccc1/C=C/C(=O)c1cncs1 794943273 WMVMQQJJPUJLAY-VOTSOKGWSA-N 295.367 3.533 30 20 CHED CCCCCCCC(=O)NCCc1ccc2c[nH]nc2c1 793481241 QIOAQVYNWFMIGL-UHFFFAOYSA-N 287.407 3.582 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccc3c(c2)CCC3)CCC1 791558682 RGMWZBFRPDSQHH-UHFFFAOYSA-N 298.382 3.648 30 20 CHED C=C[C@@H](CC(=O)OC[C@@H]1CCC(C)(C)O1)c1ccccc1 792019534 FNXPNJSONFYDNL-HOCLYGCPSA-N 288.387 3.847 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2(F)CCCC2)s1 797569600 SXJJMSUXQJHNEV-JTQLQIEISA-N 294.395 3.899 30 20 CHED C[C@@H](OC(=O)c1ccc(F)c(C#N)c1)c1cccc(F)c1 790573110 CZEGVZLDOHNRBN-SNVBAGLBSA-N 287.265 3.754 30 20 CHED COc1cc(F)cc(NN=C[C@H](C)CC(C)C)c1 799110931 KAGOLJVEFXVMPQ-LLVKDONJSA-N 252.333 3.914 30 20 CHED C=CCC[C@H](NC[C@H](O)c1ccccc1C)c1ccco1 796762402 UXJYEZNNRJWSKO-IRXDYDNUSA-N 285.387 3.919 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@@]1(C)CCCS1 793052689 BDWOVVDTOLCXMH-CYBMUJFWSA-N 279.365 3.587 30 20 CHED N#Cc1c(Cl)cccc1NCCOC1CCSCC1 897515369 PLMGMMSWXBLSQC-UHFFFAOYSA-N 296.823 3.536 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@H]2CC23CCC3)n1 1187541447 LFUFIYASTWPYDL-ZDUSSCGKSA-N 255.365 3.605 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@@H]1N=c1cc[nH]c(C#N)c1 1307089157 IUMIGMGFRMMEPW-PKOBYXMFSA-N 291.398 3.747 30 20 CHED C[C@]1(CNc2ncc(C#N)cc2F)CCCc2ccccc21 1162972755 NDANVWOXGJADSF-GOSISDBHSA-N 295.361 3.798 30 20 CHED CC(C)(C#N)CCOc1ccc(OC(F)(F)F)cc1 134993299 LLLJMJBZDKIADL-UHFFFAOYSA-N 273.254 3.904 30 20 CHED CC(Cc1ccccc1Cl)=NNc1nccnc1Cl 1318695215 CFVZBXSKZKLCSJ-UHFFFAOYSA-N 295.173 3.814 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1cc(Cl)ccc1F 1168499354 WHWGIRRUJLDSNC-GHMZBOCLSA-N 279.746 3.573 30 20 CHED CCc1ccc(-c2n[nH]c(SCCCCC#N)n2)cc1 1317690875 NZHUTNHKVROJKG-UHFFFAOYSA-N 286.404 3.820 30 20 CHED CCCCCCCCNC(=O)c1ncoc1[C@@H]1CCCO1 1324430642 CUXCBYACLSWVFJ-ZDUSSCGKSA-N 294.395 3.616 30 20 CHED CCCCCCCNC[C@@H](O)c1ccc(F)c(F)c1 703749633 XURXFIQQGCFYMC-OAHLLOKOSA-N 271.351 3.558 30 20 CHED C#C[C@@H](NC(=O)c1oc2ccccc2c1C)C(C)(C)C 705309697 ZBUKSVLICGOYEQ-CQSZACIVSA-N 269.344 3.519 30 20 CHED N#Cc1ccc(F)c(CNc2cc(F)c(F)cc2F)c1 61094174 BAAZFCOLNDAQLB-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C=CCSCCN[C@@H]1CCCc2c(OC)cccc21 194920839 IZFMHCNSJPBFPY-OAHLLOKOSA-N 277.433 3.581 30 20 CHED C=C(C)[C@H](Cc1nnc(-c2cc(C)cs2)o1)OCC 1329213802 AFCKGVGFZOUQQJ-NSHDSACASA-N 278.377 3.630 30 20 CHED Cc1cnccc1CSc1ccc(C#N)cc1F 1188823916 ZGIMKODIIDAYPR-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=CCC1(CNC(=O)c2occ(C)c2C)CCCC1 1331158733 UCECVWJTZSEVLM-UHFFFAOYSA-N 261.365 3.763 30 20 CHED C=CCCOCCN[C@H](C)c1cnc2ccsc2c1 90883639 NDILIELTMZDQFI-GFCCVEGCSA-N 276.405 3.540 30 20 CHED CCSCc1cccc(Nc2cc(C#N)nc(C)n2)c1 1185479732 WTJBTPSABSFNPZ-UHFFFAOYSA-N 284.388 3.653 30 20 CHED CC[C@](C)(C#N)c1nnc(-c2ccc(Cl)cc2OC)o1 1330091671 BIXLDBPNUZYLJE-CQSZACIVSA-N 291.738 3.590 30 20 CHED COc1ccc(NCC2CCC(F)(F)CC2)cc1C#N 1332264129 ZLPZBCZOXYASTM-UHFFFAOYSA-N 280.318 3.804 30 20 CHED C=C[C@H](C(=O)Nc1ncsc1C1CC1)c1ccccc1 1263897973 SQCGFMLXTVATQX-ZDUSSCGKSA-N 284.384 3.929 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 1263797184 NDXICXFDWBSAEB-JTQLQIEISA-N 287.281 3.729 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CC12CCC2)c1nc2cccc(Cl)c2[nH]1 1349759821 CSEZYTXUIINESV-UWVGGRQHSA-N 299.761 3.583 30 20 CHED CSc1ccccc1C(=O)/C=C/c1c(C)n[nH]c1C 1344574037 GPLLPCULRBKLOU-CMDGGOBGSA-N 272.373 3.645 30 20 CHED CCC[C@@H](C)C(=O)[C@H](C#N)c1nccn1Cc1ccccc1 1346538214 VNQNPUCIYAZOIP-ZBFHGGJFSA-N 295.386 3.544 30 20 CHED CC(C)c1ccccc1C(=O)O[C@H]1CC[C@H](C#N)C1 1344687510 RPGOWJDLYYJOIO-STQMWFEESA-N 257.333 3.659 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)c1cccc(Cl)c1 1350304424 IBZYOJYVBBNTIB-IAQYHMDHSA-N 290.794 3.642 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(C#N)c1 1358244278 GEELAUICDLLLCB-YOEHRIQHSA-N 284.403 3.955 30 20 CHED Cc1ccc(CC(=O)N(C)c2ccc(C#N)c(Cl)c2)cc1 1287625210 ZVISLPLJLIMISC-UHFFFAOYSA-N 298.773 3.726 30 20 CHED CSc1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)n1 1518199052 JQHMDQHRAKCVSZ-NSHDSACASA-N 298.367 3.593 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCC(CC)CC1 1520423405 TYUREHZCULEKNI-GFCCVEGCSA-N 294.468 3.515 30 20 CHED C[C@H](CN1CCCN(c2ccccc2C#N)CC1)C(C)(C)C 1459442790 ZNQPKJAFDLHYOH-MRXNPFEDSA-N 299.462 3.753 30 20 CHED C=CCOc1ccc(I)c(Cl)c1 306457528 VLBQGJHTQOTFPN-UHFFFAOYSA-N 294.519 3.509 30 20 CHED N#Cc1ccc([C@@H](SCC2CCCC2)C(=O)O)cc1 1608203521 OPZMDLHSGOVGCL-CQSZACIVSA-N 275.373 3.607 30 20 CHED O=C(O)c1ccc(NN=Cc2ccccc2F)cc1Cl 1608903739 LBJXYKXDYXSALJ-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Cc1c(Cl)cccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 1535478535 FLTONBUPPJSLMX-RYUDHWBXSA-N 277.751 3.888 30 20 CHED N#Cc1ccnc(CSc2ccnc3ccccc23)c1 1472987436 SOCNYAKNCBRBHZ-UHFFFAOYSA-N 277.352 3.794 30 20 CHED COc1ccc(C#N)cc1CN(CC1CC1)c1ccccc1 1616003113 LYHXLTCYKOZZJH-UHFFFAOYSA-N 292.382 3.983 30 20 CHED C[C@@H](C#N)CNCC(c1ccccc1)c1ccccc1 220115094 MEYPMLOSDHPRAJ-HNNXBMFYSA-N 264.372 3.568 30 20 CHED COc1ccc(CN[C@H](C)[C@@H]2CCCC[C@H]2C)cc1C#N 1621498549 ZYENWLMOOCPLLP-CKEIUWERSA-N 286.419 3.871 30 20 CHED N#Cc1cc(N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)ccn1 1639404215 ZAKYAKZLMHSFSN-JKQORVJESA-N 281.403 3.748 30 20 CHED CC[C@@H](COc1ccc(C#N)c(C)c1)CC(F)F 1613749908 HWRZSNSUIWAHRR-LLVKDONJSA-N 253.292 3.927 30 20 CHED COc1c(Oc2nc(C)cc(C#N)n2)ccc2ccccc12 1651075773 YQVWNTPTNFVWEA-UHFFFAOYSA-N 291.310 3.611 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1sccc1C#N 1672812380 IJQBMICUQIFOPS-NWDGAFQWSA-N 291.420 3.956 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cc(C#N)ccc2F)cc1 1670761295 RRPQJQZKJAGZDR-UHFFFAOYSA-N 283.306 3.674 30 20 CHED C=C(C)CN(CC)[C@H](C(=O)O)c1cccc2ccccc12 1776140181 WUSCRRKYJRUYER-KRWDZBQOSA-N 283.371 3.864 30 20 CHED C[C@H]1CC(=NO[C@H](C)c2ccccc2)CC[C@H]1C(=O)O 1776083275 VGYSUFUSBXDNQB-YWPYICTPSA-N 275.348 3.641 30 20 CHED CCN(CC)C(=O)[C@H](C)Sc1ccc(C#N)cc1Cl 163316855 XPQLFAALQDADHB-JTQLQIEISA-N 296.823 3.561 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(C(C)(C)C)s1 155254942 ZXOFILIRDNFECT-JTQLQIEISA-N 251.395 3.740 30 20 CHED CCc1oc2ccccc2c1C(=O)N[C@@H](C#N)C(C)(C)C 155278164 NWZVDQINJJCXDT-AWEZNQCLSA-N 284.359 3.663 30 20 CHED C#CCOc1ccccc1OCCCCC(F)(F)F 154334000 ZYXLSFFQVDXODC-UHFFFAOYSA-N 272.266 3.810 30 20 CHED CCC1(CC)CCC(Nc2cc(C#N)cnn2)CC1 1655438090 YXGLRDCXZNEBQJ-UHFFFAOYSA-N 258.369 3.509 30 20 CHED CN(C(=O)c1ccsc1Cl)c1ccc(C#N)cc1 1265385762 PAGXCPZITZKXSZ-UHFFFAOYSA-N 276.748 3.550 30 20 CHED Cc1cc(C#N)ccc1NC[C@@H](c1cccs1)N(C)C 846745629 LFMWZZNDHUKIIX-HNNXBMFYSA-N 285.416 3.643 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@H](C2CCCCC2)C1 856305280 NUCXACXGJLMONU-INIZCTEOSA-N 275.436 3.855 30 20 CHED COc1ccccc1N[C@H](C)c1cccc(C#N)c1 37189280 YZWTVLBNSWDBPK-GFCCVEGCSA-N 252.317 3.740 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cc(F)c(Cl)cc1Cl 264114113 VZCLJQLRPABTRW-SSDOTTSWSA-N 289.137 3.507 30 20 CHED CCOCCCCNc1ccc(C(F)(F)F)c(C#N)c1 165835746 SCZAZTRSBCEMON-UHFFFAOYSA-N 286.297 3.806 30 20 CHED Cc1cc(C#N)cc(NCc2cc(F)cc(F)c2)c1 308108935 RKURCDFLNPVEBK-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC(C)(C)ON=Cc1csc(Br)c1 308146578 LZOKUMDGPPHIHJ-UHFFFAOYSA-N 262.172 3.660 30 20 CHED C=CCCCCNc1nc(C(F)(F)F)ccc1C#N 311563341 AFBWMPSIQJFSAB-UHFFFAOYSA-N 269.270 3.740 30 20 CHED CC[C@H]1CCCCN1c1nc(C(F)(F)F)ccc1C#N 78831993 NTPQYZWAOKCBGS-NSHDSACASA-N 283.297 3.741 30 20 CHED CSCCCSCc1ccc(C#N)cc1F 320290273 CKPLCVIKTLAVFM-UHFFFAOYSA-N 255.383 3.684 30 20 CHED C[C@H](CC(=O)N1CCc2cc(C#N)ccc21)C(C)(C)C 416012767 MCFHGUGAFKDWCX-GFCCVEGCSA-N 270.376 3.520 30 20 CHED C#C[C@H](C)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 368046706 ZPYBQTDHYJQJMZ-XWLWVQCSSA-N 253.798 3.505 30 20 CHED C=CCCCCOc1ccc(C(=O)O)cc1Br 1588802773 ZAVDUGALEHCXDD-UHFFFAOYSA-N 299.164 3.882 30 20 CHED CN(CC1(C#N)CCC1)[C@H]1CCCc2ccccc21 583184482 MNUCMUKJGOPLKK-INIZCTEOSA-N 254.377 3.690 30 20 CHED C[C@H](c1nc2ccccc2s1)N(C)CC1(C#N)CC1 343319774 JNFIVLKYLJOGMS-LLVKDONJSA-N 271.389 3.593 30 20 CHED C=C(C)CNC(=S)Nc1cc(C)c(Cl)cc1OC 6329774 XCGKXRLZWQMAIQ-UHFFFAOYSA-N 284.812 3.520 30 20 CHED Cc1cc(/C=C2\Cc3ccccc3C2=O)cc(C)c1O 7742175 OPDMUVSTUVIHEE-OQLLNIDSSA-N 264.324 3.831 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1[N+](=O)[O-] 7745606 GLJPRTPENOGSSC-VQHVLOKHSA-N 292.294 3.671 30 20 CHED CCCCCCCCC(=O)N[C@H]1c2ccccc2C[C@@H]1O 104577937 VCYLRKJJLRYYQO-WMZOPIPTSA-N 289.419 3.512 30 20 CHED N#Cc1ccc(NC(=O)c2cc(Cl)ccn2)c(Cl)c1 226348571 OMCLIQSMOOEYBU-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CC2(Cl)Cl)C(C)C)c1 102909376 YNITYEFPDMUFTL-CYBMUJFWSA-N 296.197 3.603 30 20 CHED C[C@H]1CCC[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 172707013 IWSOBFNQDDOXLO-QWRGUYRKSA-N 288.416 3.873 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Cl)ccc1Cl 116854574 QHUJNTUTRHOQTQ-MRVPVSSYSA-N 258.148 3.688 30 20 CHED C=CCCCOC(=O)c1cc(C)nc2onc(C(C)C)c12 172235886 LSHRLMJMUSGBCV-UHFFFAOYSA-N 288.347 3.778 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(F)cc1Cl 177870522 BJBWNRFLBRMLHH-UHFFFAOYSA-N 273.760 3.727 30 20 CHED Cc1cccc([C@H](C)/N=C/c2ccc(O)c(O)c2O)c1C 115184082 UNWCWAGIVOANJD-BEAUZRKQSA-N 285.343 3.600 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)CCCc2c[nH]c3ccccc23)C1 178791835 ANKYWPPQAUZCHL-UKRRQHHQSA-N 296.370 3.726 30 20 CHED N#Cc1ccc(N2CCCCCC2)nc1N1CCCCCC1 302793678 ZYFIQMHIOBBWFJ-UHFFFAOYSA-N 298.434 3.714 30 20 CHED C[C@H](NC(=O)N(C)[C@H](C)c1ccco1)c1ccc(C#N)cc1 69104130 DSFDRWKHSNTDLW-QWHCGFSZSA-N 297.358 3.615 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCCC[C@@H]1CC(C)C 408408157 YRFWSEHDRSIULN-CQSZACIVSA-N 288.391 3.891 30 20 CHED C[C@H](NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1 177582811 ZATRUZYXZHIJKA-CABCVRRESA-N 264.372 3.840 30 20 CHED CC(C)CCCSCC(=O)Nc1ccc(CC#N)cc1 180092299 FQRJULOQVYEQBB-UHFFFAOYSA-N 290.432 3.861 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(COC(C)C)c1 69359949 UZSOGSKBCXVTNN-AWEZNQCLSA-N 291.391 3.531 30 20 CHED N#Cc1c(F)cccc1NCc1cc(-c2ccccc2)on1 301143904 KDZMTJXBSYWRHC-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)CSC 303475964 RUJRPONPIHRCFE-ZDUSSCGKSA-N 269.454 3.580 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1ccccc1 173043033 VHZDJGUPMMAQGO-UHFFFAOYSA-N 279.343 3.632 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 129188550 UXXOQNGRRFYKKD-ZIAGYGMSSA-N 298.292 3.579 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)cn1 123175724 SHAVRGUXFWNTEG-UHFFFAOYSA-N 291.351 3.502 30 20 CHED C#CCCSc1nnc(-c2ccccc2C)n1CC=C 179283810 DOKGXEAYHZMIMP-UHFFFAOYSA-N 283.400 3.555 30 20 CHED CCCCCCCC(=O)Nc1cnn(CCC)c1 174287582 SDTIRIOQZFEWAB-UHFFFAOYSA-N 251.374 3.592 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H](C)c1ccc(OC)cc1 122039143 WDIAYSZPPNZCAH-CQSZACIVSA-N 287.403 3.983 30 20 CHED C[C@@H](CCc1cccn1C)Nc1c(F)cc(C#N)cc1F 301422113 CNMFBBUYTAFVKX-NSHDSACASA-N 289.329 3.608 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(-c2ccc(Cl)cc2)no1 129607634 ZHNSARMGJSDKEU-LLVKDONJSA-N 289.766 3.729 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)Nc1ccccc1C#N 36173227 IHVUHECZBMDKFO-GFCCVEGCSA-N 282.318 3.515 30 20 CHED N#CCC[C@H](C#N)COc1ccc(Cl)cc1Cl 126087611 TXCYUCFDASWHPX-SECBINFHSA-N 269.131 3.816 30 20 CHED CCCc1cc(NC[C@@H](C)C#N)c2ccccc2n1 302030027 BMGWDZSNOFRZDQ-LBPRGKRZSA-N 253.349 3.759 30 20 CHED CCO[C@@H]1C[C@@H](N(C)c2ccc(C#N)cn2)C12CCCCC2 301492972 PWVZJBXBEYGKDP-HZPDHXFCSA-N 299.418 3.517 30 20 CHED CC#CCCCC(=O)N(Cc1ccc(F)cc1)C1CC1 185018365 XLVUKVHFRYHALS-UHFFFAOYSA-N 273.351 3.510 30 20 CHED CC(C)C[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 182059369 RUYKLLWAAQQXGS-MRXNPFEDSA-N 299.462 3.547 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H]1CC=CCC1)c1ccccc1 188134302 HROUDMLSRVYPIX-IAGOWNOFSA-N 269.388 3.961 30 20 CHED CCCCCC[C@H](C)/C(O)=N/S(=O)(=O)CCCC 76761976 VHPBGHOLXNKPGF-LBPRGKRZSA-N 277.430 3.679 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@H](CC)CC(F)(F)F 413517099 OOPZZCAAZIKTKU-GHMZBOCLSA-N 280.334 3.619 30 20 CHED COc1ccc(COc2ccc(C#N)c(C)c2)cc1F 434647423 GDSSGUKARLJIAJ-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CC(C)[C@H](NCCCCC#N)c1ccc(F)cc1F 181645828 TUCIVUQLPHVOGN-HNNXBMFYSA-N 266.335 3.945 30 20 CHED N#Cc1cc(CN2CCSC3(CCC3)CC2)ccc1F 411871026 PZKTUUFOLLMBJO-UHFFFAOYSA-N 290.407 3.559 30 20 CHED C#CCCCCC(=O)Oc1c(F)cccc1Cl 121618320 PRRHLGAXLBTESI-UHFFFAOYSA-N 254.688 3.578 30 20 CHED CCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 79155665 JDZPMKSCMXKTSZ-UHFFFAOYSA-N 294.354 3.680 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](CC)CC#N)c1ccccc1 187613312 XCMPBXQPNJLORA-JKSUJKDBSA-N 270.376 3.545 30 20 CHED Cc1ccc(CCCC(=O)NCc2ccc(C#N)cc2)s1 79397704 STRNBJSRAQUXQN-UHFFFAOYSA-N 298.411 3.567 30 20 CHED COc1ccc([C@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1 317079156 WDOWBRVQIVFPQG-NSHDSACASA-N 297.314 3.648 30 20 CHED C=C[C@H]1CCCCN1Cc1noc(C2CCCCC2)n1 489477484 OOFXMUWYDREGSI-AWEZNQCLSA-N 275.396 3.658 30 20 CHED CC(C)[C@@H]1OCCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 182005056 WOXVBAKQFXFKPM-QGTPRVQTSA-N 286.419 3.660 30 20 CHED C=C(C)COCCNc1cc(C#N)ccc1C(F)(F)F 127260307 HKTMKEPVKKHJHI-UHFFFAOYSA-N 284.281 3.582 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)C(C)(F)F 412839543 LVLQNVVQWHHUSR-JSGCOSHPSA-N 281.346 3.581 30 20 CHED N#CCOc1cccc(NC(=O)CCCC2CCCC2)c1 79601840 UFVKXEIGIXSXOS-UHFFFAOYSA-N 286.375 3.888 30 20 CHED Cc1nnc(SC[C@H]2CCCC(F)(F)C2)c(C#N)c1C 509101174 XQJJUXJOCYTRFG-NSHDSACASA-N 297.374 3.883 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)c1cccs1 121526371 OVGRFPLWYLOORU-GHMZBOCLSA-N 295.367 3.604 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(C)C[C@H](C)C#N 72567810 NKQDTOHRXRWHDO-UKRRQHHQSA-N 264.413 3.601 30 20 CHED N#Cc1cccc(C(=O)Nc2cc(Cl)c(Cl)cn2)c1 72530395 PGJKIKILXOZOSV-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])CC2 316843046 MHNNLCYFPHNFTJ-OAHLLOKOSA-N 293.326 3.874 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cc3ccccc3o2)C1 185780769 WSHVNOOQFDMROM-JSGCOSHPSA-N 254.333 3.605 30 20 CHED CC(C)[C@H]1OCCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 182005041 WOXVBAKQFXFKPM-BMGDILEWSA-N 286.419 3.660 30 20 CHED CCCCCCCCCCC(=O)Nc1cc[nH]n1 127726303 ZRGQNTISEZUMAE-UHFFFAOYSA-N 251.374 3.879 30 20 CHED COc1cc(C)cc(CNc2cccc(F)c2C#N)c1 128038670 GCPFPMQWWFDSJH-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C#C[C@@H](NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)C(C)C 313386582 JFZHCJYXQLYBRH-NCCNMHLXSA-N 287.447 3.757 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1ccc(F)c(F)c1 503571628 ARMYELRVZBGDRV-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 184674641 YIQDWMDNVKFDKE-AWEZNQCLSA-N 294.398 3.636 30 20 CHED C[C@H](Cc1ccco1)Nc1nc(C(F)(F)F)ccc1C#N 78833696 NFCCRDVEVKDFST-SECBINFHSA-N 295.264 3.608 30 20 CHED C=C(C)[C@@H](NC/C=C/Cl)c1ccc(F)c(F)c1 187764462 WPLNFSYIFNSTSK-VUUYWXRKSA-N 257.711 3.924 30 20 CHED Cc1cc(C)cc(/C=C2\COc3ccccc3C2=O)c1 49371873 KAQGRTSGAXDJHL-XNTDXEJSSA-N 264.324 3.962 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1ccc(SC)cc1 130185880 WUNNLOZRTDONRF-UHFFFAOYSA-N 298.367 3.541 30 20 CHED CSC(C)(C)CNc1cccc(Cl)c1C#N 135555000 WYFZEUIFPMDXEF-UHFFFAOYSA-N 254.786 3.765 30 20 CHED Cc1cccc(-c2nc(C)c(/C(O)=N/C3CC(C)C3)[nH]2)c1 328867634 OHTQOQLGFYRVRW-UHFFFAOYSA-N 283.375 3.797 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(Cl)s1 49800841 WJWFSDWDFYARPL-UHFFFAOYSA-N 256.802 3.773 30 20 CHED C=CCSCCN[C@H]1CCC[C@@H](C(F)(F)F)C1 129734230 GPSFVTGJEWBBBN-MNOVXSKESA-N 267.360 3.616 30 20 CHED CC[C@@H](C)CCC(=O)Nc1ccc(C#N)cc1C(C)=O 411056908 NYCFOHQPYFMEQK-LLVKDONJSA-N 272.348 3.526 30 20 CHED CN(C(=O)CC(C)(C)C#N)[C@H]1CCC[C@@H]1C(C)(C)C 416295289 SZTDEADZNHPELJ-STQMWFEESA-N 264.413 3.599 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)CCc1ccc(C#N)cc1 42705639 OOKLWBHBXOVCCC-UHFFFAOYSA-N 286.419 3.822 30 20 CHED Cc1cnc(N/C(O)=N/C(C2CCC2)C2CCC2)s1 329053491 AGYRIJYBCKPLKW-UHFFFAOYSA-N 279.409 3.746 30 20 CHED Cc1cccc(NCC2(CC#N)CC2)c1Br 131729243 UXORRXAPLKVQLT-UHFFFAOYSA-N 279.181 3.863 30 20 CHED Cc1ccc(C)c(OCCN(C)Cc2ccc(C#N)cc2)c1 506130040 GGNWPYKFGVHCNZ-UHFFFAOYSA-N 294.398 3.686 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 48474357 PUKBEGYWHXCLJQ-LLVKDONJSA-N 291.782 3.866 30 20 CHED OC(=Nc1cc(C2CCCCC2)[nH]n1)c1cc(C2CC2)[nH]n1 329764807 WEWGYJJWFJDXFV-UHFFFAOYSA-N 299.378 3.694 30 20 CHED C=C[C@H](CC(=O)Nc1cnn(CCC)c1)c1ccccc1 136170698 MTDWYNRQYVELLU-CQSZACIVSA-N 283.375 3.592 30 20 CHED C#CCN(C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 192237141 RYRNCLKILSDHOX-NSHDSACASA-N 274.751 3.621 30 20 CHED CC[C@H](C)CNC(=O)N[C@H](CCCC#N)c1ccccc1 420846878 JNARXWCQZCFEIR-GOEBONIOSA-N 287.407 3.767 30 20 CHED Cn1c(COc2cccc(C#N)c2)nc2cc(Cl)ccc21 47350017 GWDZKWVGYAUXCA-UHFFFAOYSA-N 297.745 3.677 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(OC(F)F)c1 190636782 QTVBROWGGIDNJP-AWEZNQCLSA-N 269.291 3.829 30 20 CHED N#Cc1ccc(N(Cc2cccs2)C2CC2)cc1 42516802 LTSYWPFBNMMLRN-UHFFFAOYSA-N 254.358 3.789 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 191995399 OAMYFODYKLZGPD-QZTJIDSGSA-N 283.415 3.975 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2C)cc1 49873519 LTBMPDBYQHFKCS-QGZVFWFLSA-N 278.355 3.552 30 20 CHED CN(C[C@H]1CCCCO1)c1ccc(C#N)c(C(F)(F)F)c1 48950202 MEJZYAVINNRRJN-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C[C@H](/N=C(/O)[C@@H]1CCC(=O)c2cccn21)C1CCCCC1 329864351 SNMLKVSINMSCCX-WFASDCNBSA-N 288.391 3.931 30 20 CHED N#CC1(c2nc(CC3CCCCC3)no2)CCCCC1 329731778 PXBQBSSTAFPBPE-UHFFFAOYSA-N 273.380 3.918 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1cc(F)ccc1OC 46986115 ABNVFLWOKBHNDS-GFCCVEGCSA-N 294.370 3.503 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(C#N)cc1 47333764 UOVTUCUKPDCPNR-LBPRGKRZSA-N 297.333 3.922 30 20 CHED CCCCCCCCC(=O)Nc1cnn(CC)c1 192919859 PHBJAUCGRLTVDD-UHFFFAOYSA-N 251.374 3.592 30 20 CHED CCC(CC)CN(CC)C(=O)c1cccc(C#N)c1C 510535932 YYQWIRAGBHYXEG-UHFFFAOYSA-N 272.392 3.765 30 20 CHED C=CCC(C)(C)C(=O)NCC1CCC(CC)CC1 429896157 PGDIICWAQXHSQO-UHFFFAOYSA-N 251.414 3.921 30 20 CHED COc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1C#N 87822483 MXMBNKGQQCUGAF-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=CCOc1ccc(CNCc2c(F)cccc2F)cc1 512568872 KQJKCWFPOVYRDN-UHFFFAOYSA-N 289.325 3.819 30 20 CHED N#CCN(C(=O)c1ccc2c(c1)CCCC2)c1ccccc1 195122678 IHUPUWZONAIEQY-UHFFFAOYSA-N 290.366 3.736 30 20 CHED CC[C@@H](N=c1cc[nH]c(C#N)c1)c1cccc(Cl)c1 519593283 SWFVYYBMDJAFKL-OAHLLOKOSA-N 271.751 3.592 30 20 CHED CC(C)Cc1ccc([C@@H](NC(=O)[C@@H](C)C#N)C(C)C)cc1 510379255 QAXAXYOMXQGUTO-YOEHRIQHSA-N 286.419 3.858 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCC1(C)C 425126899 IILWWCZZBXFPOX-XJKSGUPXSA-N 284.403 3.904 30 20 CHED CN(C(=O)[C@@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 179359993 BFHOTUIHDKXRCP-CQSZACIVSA-N 270.376 3.737 30 20 CHED C[C@H]1CN(C(=O)c2ccc(CC#N)cc2)c2ccccc21 334151898 LPFCSPBHYLPZNU-ZDUSSCGKSA-N 276.339 3.517 30 20 CHED C=CCN1CCc2sc(-c3csc(C)n3)cc2C1 93259455 XTZOGRYMBUNQOO-UHFFFAOYSA-N 276.430 3.724 30 20 CHED CC1(C)CCC[C@@H]1Nc1nc(Cl)c(C#N)s1 232778346 HPVGSEDWNPJBMC-QMMMGPOBSA-N 255.774 3.659 30 20 CHED COCC1(CCNc2ccc(C#N)c(Cl)c2)CCC1 338737546 CXENKOHQOIAIHZ-UHFFFAOYSA-N 278.783 3.830 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccccc2OC)no1 424338360 AUKNIUWLVHUBGO-UHFFFAOYSA-N 272.348 3.523 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 337632105 WETWJFWWLQHGAP-BBRMVZONSA-N 270.376 3.584 30 20 CHED N#Cc1csc(CNCc2ccccc2Cl)c1 93492027 QWHWKCQODSQGKE-UHFFFAOYSA-N 262.765 3.563 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@]1(C#N)CC12CCCC2 333208663 PEWOQKUSUJKKTF-LPHOPBHVSA-N 294.398 3.573 30 20 CHED CCc1nc(/C(O)=N/[C@@H]2CCC[C@H](C(F)(F)F)C2)co1 330861072 UYYXTPDPEJMTJG-DTWKUNHWSA-N 290.285 3.663 30 20 CHED CCN(Cc1c[nH]c2ccccc12)[C@@H]1CC[C@H](C#N)C1 339113673 IIAOFOMTMFKAMR-DZGCQCFKSA-N 267.376 3.682 30 20 CHED CC1(C#N)CCC(Nc2cccc(CC#N)c2)CC1 334665604 MWJKXBLPIVZATN-UHFFFAOYSA-N 253.349 3.637 30 20 CHED COc1cc(C)c(CNc2ccc(CC#N)cc2)cc1OC 237291983 XZAUZJAHDLEXHL-UHFFFAOYSA-N 296.370 3.690 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)CC(C)(C)O2 439457290 QIMNHKRFQZVCBA-CYBMUJFWSA-N 288.391 3.876 30 20 CHED CC(C)(C#N)CCCCSc1nncn1C(C)(C)C 436200022 DNONZZXUBHFVCW-UHFFFAOYSA-N 280.441 3.845 30 20 CHED CC[C@H](C)[C@H](C)N(Cc1ccccc1C#N)C1CC1 513446673 HRNZYJXKNYRQDF-KBPBESRZSA-N 256.393 3.957 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)CC(C)(C)C#N 335046552 WXUPLWWRCJCBOK-HNNXBMFYSA-N 288.366 3.738 30 20 CHED N#C[C@]1(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC12CCCC2 333501617 CQRIWTIEBMUUHR-ADAWSYLGSA-N 286.419 3.545 30 20 CHED C[C@H](/N=C(/O)Nc1ccc(C(=N)O)cc1F)C1CCCC1 331072201 SWWPXQHFKOMQRL-VIFPVBQESA-N 293.342 3.614 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCc2ccc(F)cc21 436313661 XGXJVJKLVYGZNW-OLMNPRSZSA-N 289.394 3.774 30 20 CHED CCc1c(C)sc(NC(=O)[C@H]2CC[C@@H](C)C2)c1C#N 345426739 FTXNWQSWFLPPFS-KOLCDFICSA-N 276.405 3.865 30 20 CHED Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C)ccc1C#N 434736964 MRXAXJXVZDFFQR-CQSZACIVSA-N 294.354 3.581 30 20 CHED CCO[C@@H](CC(=O)Nc1ccccc1CC#N)C1=CCCC1 344404315 WRPZGZSRGMJMEX-KRWDZBQOSA-N 298.386 3.597 30 20 CHED Cc1ccnc2[nH]c(SCc3ccc(C#N)cc3F)nc12 347409754 IVIWCFAPHBPTHU-UHFFFAOYSA-N 298.346 3.569 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H](C)CC2)c1C#N 343527732 LFXSSEKCQWZSCT-SNVBAGLBSA-N 263.772 3.542 30 20 CHED C=CCC(C)(C)c1noc([C@H]2C[C@H](C)O[C@H](C)C2)n1 340814963 HFJHEJYGNJVLMG-ZSBIGDGJSA-N 264.369 3.594 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1[C@H]2CCC[C@H]21 246287129 AFKIMCLKZALIKV-ZSHCYNCHSA-N 261.409 3.627 30 20 CHED CC[C@@H](NC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 608782813 ONZVJLWLBRCKCM-QGZVFWFLSA-N 299.418 3.716 30 20 CHED CC[C@H](c1ccccc1OC)N(C)c1ccc(C#N)cn1 340976065 TZNSOJWYMZQVHS-OAHLLOKOSA-N 281.359 3.549 30 20 CHED N#Cc1cnc(NC[C@@H]2CCc3ccccc32)c(Cl)c1 347320568 VOTZOUQXRIPDSV-ZDUSSCGKSA-N 283.762 3.749 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1CCC=CCC1 602084916 IMQNWSYOQPNOPV-UHFFFAOYSA-N 294.398 3.819 30 20 CHED CCC[C@@H](NC(=O)[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 345754189 CVMSPLMCAIGICI-GXFFZTMASA-N 298.308 3.822 30 20 CHED C=C(C)CCNc1cc(C[S@@](C)=O)ccc1Cl 345307668 AUBFQZCBRFJYCL-QGZVFWFLSA-N 271.813 3.597 30 20 CHED CCCCCn1cc(CNCc2cccc(C#N)c2)c(C)n1 348387963 DFGIVRKBBRZBKT-UHFFFAOYSA-N 296.418 3.543 30 20 CHED C[C@@H](CCC#N)CNCCc1cc2ccccc2o1 602554623 CFDCXEMRMIIVMO-ZDUSSCGKSA-N 256.349 3.505 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@@H](C)CC(C)(C)C 608822966 BNJHJLGIZNWEGK-OLZOCXBDSA-N 252.402 3.503 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1sc(CCC)nc1C 343998940 WDCIYUUKNMNKKY-CQSZACIVSA-N 266.410 3.945 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(C(C)=O)c1 341092727 SURMPVPQEDHECV-OAHLLOKOSA-N 263.312 3.569 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 600418799 LLVZKWIENYBWFI-DAXOMENPSA-N 270.376 3.537 30 20 CHED Fc1ccccc1C=NOCc1cccc(F)c1F 254971387 DAIYVJPVKBKRLS-UHFFFAOYSA-N 265.234 3.655 30 20 CHED Cc1ccc(CCCCC(=O)N(CCC#N)C(C)C)cc1 608814542 INHPNONCOIRMSK-UHFFFAOYSA-N 286.419 3.859 30 20 CHED COc1cccc(/C=C2/CCOc3ccccc3C2=O)c1 254976753 QTIOMUUHYHKKIA-KAMYIIQDSA-N 280.323 3.744 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1C#N 255899838 VJJRIXKZHHQFCW-ALCCZGGFSA-N 281.286 3.602 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1cc2ccccc2o1 602477571 SWEUZFKUCPDPNP-ZDUSSCGKSA-N 256.349 3.804 30 20 CHED CSc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1 255366350 OSNZAJKTESDNIJ-UHFFFAOYSA-N 288.328 3.773 30 20 CHED N#Cc1nnc2ccccc2c1Oc1cc(F)cc(F)c1 524849835 AOOZROWCQGZHAW-UHFFFAOYSA-N 283.237 3.572 30 20 CHED Cc1nn(C[C@@H](C)C#N)c(C)c1SCc1ccccc1 601932383 JTDAIBHAKXSDDS-LBPRGKRZSA-N 285.416 3.952 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C)nc2-c2cccs2)o1 255329753 ZLIHKTDMZJOUBT-SREVYHEPSA-N 298.367 3.946 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(OC(F)(F)F)c2)C1 442876196 PIVQQJKIWHQDKG-MWLCHTKSSA-N 270.254 3.689 30 20 CHED COc1cccc(C(C)=N/N=C(\S)Nc2ccccc2)c1 254565538 BATGOKCRBFVQAG-UHFFFAOYSA-N 299.399 3.817 30 20 CHED C=CCN(C(=O)Nc1ccc(-c2ccccn2)cc1)C1CC1 353963334 OGDBFBTVZQPCMF-UHFFFAOYSA-N 293.370 3.931 30 20 CHED CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1 353352276 WDDQQCSLCRIDTL-INIZCTEOSA-N 278.355 3.737 30 20 CHED C=CCCCc1nc([C@H]2CSc3ccccc3O2)no1 446010945 JNRRPORGAHIRQJ-GFCCVEGCSA-N 288.372 3.804 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(C3CC3)ccn2)cc1 359671027 ADVSVMOSSIPFAB-UHFFFAOYSA-N 294.354 3.776 30 20 CHED N#Cc1cccc(NCCOc2ccccc2Cl)c1 531387509 NTNNNRFMGPVXCR-UHFFFAOYSA-N 272.735 3.703 30 20 CHED C=CCN(C(=O)NCC(C)(C)c1cccc(C)c1)C1CC1 539013610 YWWVCYHJMFMZQY-UHFFFAOYSA-N 286.419 3.633 30 20 CHED C[C@H](C#N)C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 440893157 IJCGVICYSJSGKF-GMZAYQHBSA-N 282.387 3.631 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2cccc(OC)c2)cc1 264936424 DEOAGNCMPDTFSF-HNNXBMFYSA-N 295.382 3.558 30 20 CHED N#Cc1cccnc1Sc1c(F)cc(F)cc1F 531384119 NPTNIXODEVVKDA-UHFFFAOYSA-N 266.247 3.522 30 20 CHED N#Cc1cccc(N2CCC[C@H]2CCc2ccccc2)n1 531385245 QBXFMXDAKBQQIU-KRWDZBQOSA-N 277.371 3.555 30 20 CHED CC[C@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 354396531 WOFARRHNOQXIPR-RDJZCZTQSA-N 284.403 3.723 30 20 CHED C=CCCC1(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)CC1 356640779 GQZYOAQSCROLQB-UHFFFAOYSA-N 297.320 3.809 30 20 CHED C=CCCCC[C@@H](C)Nc1cnn([C@@H]2CCOC2)c1C 449541246 ZSEFMONRUURZNP-UKRRQHHQSA-N 277.412 3.700 30 20 CHED CCc1cccc2c1N(CCCC(C)(C)C#N)CC2 533386476 NEQJHUNUHOGFRZ-UHFFFAOYSA-N 256.393 3.941 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@H](C(C)C)C1)C1CC1 539010643 ISJGFXWIBOKASE-UONOGXRCSA-N 264.413 3.561 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnn(C(C)C)c1C1CC1 352546579 XJHJHSPEFBCIFD-UHFFFAOYSA-N 289.423 3.674 30 20 CHED CC(C)(C#N)CCSc1nnc(-c2ccc(F)cc2)o1 610285341 IKRZLURGNSCHEW-UHFFFAOYSA-N 291.351 3.908 30 20 CHED CC[C@H](NC[C@@H](C)C(F)(F)F)c1ccc(C#N)cc1 447602448 ULZOEMNMHQVODO-MFKMUULPSA-N 270.298 3.797 30 20 CHED Cc1cc(NC(=O)c2cccc(C#N)c2)ccc1C1CC1 355877483 FNYIOAPPKQVAOD-UHFFFAOYSA-N 276.339 3.996 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@H](C)C1 355653516 OLHWRHLHXMXEFB-STQMWFEESA-N 285.391 3.755 30 20 CHED C[C@H](c1ccccc1)n1cnnc1SCCCCC#N 268603944 UHTIUGXJEBJKAF-CYBMUJFWSA-N 286.404 3.673 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCCC2(CCCC2)C1 358736200 PIDMROPAILFISN-UHFFFAOYSA-N 291.439 3.682 30 20 CHED Cc1ccccc1[C@H](CC(F)(F)F)NCCCC#N 444774869 KXKVJHRQAKJNLX-ZDUSSCGKSA-N 270.298 3.882 30 20 CHED C=CCC1(NC(=O)c2cccc(F)c2C)CCCC1 619111741 GGOPVSRBIUUITJ-UHFFFAOYSA-N 261.340 3.753 30 20 CHED C=CCCNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 617615900 BGWHSADHYSOZHC-NSHDSACASA-N 285.309 3.891 30 20 CHED CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCC[C@@H]1c1ccccc1 459679905 QEZSKNTVNWBMFH-RTBURBONSA-N 293.414 3.665 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H]2CCCF)cc1F 453377558 IQHXOQIGPJWMRE-CJNGLKHVSA-N 278.346 3.705 30 20 CHED C=CCC1(NC(=O)c2nnc(C(C)C)s2)CCCCC1 456368657 PNWUDGPLFZBHKC-UHFFFAOYSA-N 293.436 3.670 30 20 CHED Cc1ccc(Cl)c2ccc(=NCC3(CC#N)CC3)[nH]c12 362359190 MYKWZHDADOTXBQ-UHFFFAOYSA-N 285.778 3.724 30 20 CHED CCCCS[C@H](C)C(=O)Nc1cc(C)cc(C#N)c1 456974089 WYYFCNUVETVTFB-GFCCVEGCSA-N 276.405 3.727 30 20 CHED CCc1ccccc1Cc1noc(C2(C#N)CCCC2)n1 618423186 HUQOLLXWZNOYJB-UHFFFAOYSA-N 281.359 3.558 30 20 CHED C=C[C@H](Nc1ccc(-c2ccccc2)c(C)c1)C(=O)OC 619702563 HNGBBTXJHBHLDA-KRWDZBQOSA-N 281.355 3.802 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(Cl)c(F)c1 611248370 GTPQLRISHMOABZ-SNVBAGLBSA-N 254.736 3.824 30 20 CHED Cc1ccccc1-c1noc(CSCC2(C#N)CC2)n1 611439972 SHMMJNHDPFDPMW-UHFFFAOYSA-N 285.372 3.582 30 20 CHED N#Cc1cccnc1N1CC2(CCC2)c2c(F)cccc21 362289554 OEPMPNNFGRXWMJ-UHFFFAOYSA-N 279.318 3.666 30 20 CHED C=C[C@H](C)NCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 614245667 OILRSQFSKDLYSY-ZDUSSCGKSA-N 299.370 3.787 30 20 CHED CCN(C[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H](C)c1ccc(C#N)cc1 450290072 VYRWQQRFLREERS-VIBAHUMZSA-N 284.403 3.509 30 20 CHED C[C@@H](NCc1ccnc(C#N)c1)c1cc2ccccc2o1 612493981 CLUZJBMQQJABPQ-GFCCVEGCSA-N 277.327 3.550 30 20 CHED CC(C)(CCN[C@H]1CC[C@@H](C#N)C1)c1ccccc1 619672492 ZFXRKRDLHKCLAN-ZBFHGGJFSA-N 256.393 3.636 30 20 CHED Cc1ccc(CN(c2ccc([N+](=O)[O-])c(C#N)c2)C2CC2)o1 613268836 IMYXDBKIOAFTNG-UHFFFAOYSA-N 297.314 3.537 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCSC2)CCCCC1 451792175 SLYLCUCIUZZGLZ-CQSZACIVSA-N 281.465 3.772 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 458376554 DWJCDPHPWCKDMP-HZPDHXFCSA-N 299.418 3.562 30 20 CHED C[C@H](C[C@H]1CCCO1)N[C@H]1CCCCc2cc(C#N)ccc21 360841923 URHIDZSNUNNJDJ-BJZITVGISA-N 298.430 3.873 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@H]2CCC[C@@H]2CCO)c1 275011640 JKUAKFHOKJEQCW-YPMHNXCESA-N 298.308 3.540 30 20 CHED N#Cc1ncccc1N[C@@H]1CCCc2c(F)cc(F)cc21 450557615 NKLLTHOPCNHSPC-CQSZACIVSA-N 285.297 3.721 30 20 CHED COCc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 271983326 ZJBJAVSNHCYUGM-ZDUSSCGKSA-N 298.361 3.695 30 20 CHED C=CCC[C@H](O)CNC1(c2ccc(F)cc2F)CCCC1 540426268 TZKCHXMSLPMITR-AWEZNQCLSA-N 295.373 3.651 30 20 CHED C=C(C)CCN[C@H](CCO)c1cccc(C(F)(F)F)c1 451313375 WACUNJKABWALAJ-CQSZACIVSA-N 287.325 3.685 30 20 CHED C=CCCC(=O)N1CC[C@H]1c1ccc(Br)cc1 620334920 XYGMWUKAJHWZRW-ZDUSSCGKSA-N 294.192 3.689 30 20 CHED C=CCN(C(=O)c1ccnc(O[C@H](C)CC)c1)C(C)(C)C 622944672 ALSWGBMEXOTAGU-CYBMUJFWSA-N 290.407 3.686 30 20 CHED Cc1c(NCc2ccc(C#N)cc2F)cnn1C1CCCC1 277757507 RTQGPZUYLSBKHR-UHFFFAOYSA-N 298.365 3.930 30 20 CHED C=C(C)[C@@H](Cc1nc([C@@H]2CCCCS2)no1)OCC 274032020 OKPLGLKCHPTJQK-NEPJUHHUSA-N 282.409 3.552 30 20 CHED N#CC1(c2nc(Cc3cccc(F)c3)no2)CCCCC1 273743031 OVXYJAJTYDMPNU-UHFFFAOYSA-N 285.322 3.525 30 20 CHED CC#CCCOc1ccc(NC(=O)C2CCCCC2)cc1 462366238 QGJQIFSAFVQCRX-UHFFFAOYSA-N 285.387 3.998 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(F)ccc1Cl)OCC 270061580 OYIJOAJQKCUAPF-CYBMUJFWSA-N 285.746 3.789 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CC=C(C)CC1 460956525 BEVJCMMBHZWGOM-UHFFFAOYSA-N 294.402 3.678 30 20 CHED CC(C)(C)[C@H]1C[C@@H](NCCc2cccc(C#N)c2)CS1 467541270 DWAIHGHZWZTTIB-HZPDHXFCSA-N 288.460 3.611 30 20 CHED C=CC[C@H]1N(c2nnc(C)n2CC(C)C)CCCC1(C)C 460598755 PTZJLGRAYKJRGX-OAHLLOKOSA-N 290.455 3.814 30 20 CHED C=CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)C1 628484363 LEJORHMMMQBBLN-BPLDGKMQSA-N 289.806 3.868 30 20 CHED C=C[C@@H](C)NC(=O)c1sc2cccc(F)c2c1C 465119258 LBURQODAXRXRLG-MRVPVSSYSA-N 263.337 3.653 30 20 CHED N#Cc1sc(SCCC(F)(F)F)nc1Cl 287557111 CJAIJUOOKGNZOS-UHFFFAOYSA-N 272.704 3.713 30 20 CHED CN(CCCOCc1ccccc1)CC(C)(C)CCC#N 281346976 TUKQHEDYKYCOSV-UHFFFAOYSA-N 288.435 3.855 30 20 CHED N#CC1(CCCNc2ccc(F)cc2Cl)CCOCC1 281192789 MQSQHCPRWWTTJG-UHFFFAOYSA-N 296.773 3.992 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CCC1 468912385 IKNDWVKYQLWZMB-LSDHHAIUSA-N 261.409 3.818 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CC1CCCCCC1 464158777 PPDUAWPONQBCQA-INIZCTEOSA-N 264.413 3.791 30 20 CHED C=CC1CCN(C(=O)NCCCCC2CCCC2)CC1 466599288 UBGZEPKOOPYVFA-UHFFFAOYSA-N 278.440 3.955 30 20 CHED C=CCC(CC=C)C(=O)NCC(C)(C)Oc1ccccc1 467352187 FQZMFNKWAMKKJS-UHFFFAOYSA-N 287.403 3.729 30 20 CHED CCOc1ccc([C@@H](NCCC#N)C(C)C)cc1OCC 281240645 FKOHOZZFXRBBJW-KRWDZBQOSA-N 290.407 3.684 30 20 CHED C[C@@H](NC1CC(C(F)(F)F)C1)c1ccc(C#N)cc1F 554140686 HWLHMQLJYRBXSC-MFAVDMRSSA-N 286.272 3.689 30 20 CHED Cc1csc(NC(=O)CCC2CCCC2)c1C#N 288880776 ROBDQDWCVUFODU-UHFFFAOYSA-N 262.378 3.837 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@](C)(CC)C2)c1 467896812 BBMASODZFGGBOL-QGZVFWFLSA-N 288.391 3.905 30 20 CHED C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)c2cccc(C#N)c2)[C@@H]1C 462348941 ZTJDRWOLGBAMPY-LXTVHRRPSA-N 284.403 3.555 30 20 CHED C=CCCCCCN(C)C(=O)c1ncccc1Cl 559950972 YGBTXIYBGMXMPS-UHFFFAOYSA-N 266.772 3.553 30 20 CHED C=C(C)CCNC(=O)CCc1ccccc1C(F)(F)F 633305830 ACANYJJKRRFGAA-UHFFFAOYSA-N 285.309 3.720 30 20 CHED CN(C)CCN(CC1CCCCC1)CC(C)(C)CCC#N 558418641 KTJSHIVIOMUNEI-UHFFFAOYSA-N 293.499 3.760 30 20 CHED C[C@@H](CN(C)CC(C)(C)C#N)c1cccc(Cl)c1 552316792 MFSVVPKVPBDPIG-LBPRGKRZSA-N 264.800 3.925 30 20 CHED CCN(CCC#N)C(=O)/C=C\c1cc(Cl)cc(Cl)c1 701309700 VINZCOXJMQMKGK-PLNGDYQASA-N 297.185 3.769 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2cccc(OCC#N)c2)CC[C@H]1C 294397337 IEUINXJSMOKTRS-HZSPNIEDSA-N 286.375 3.600 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)CCc1ccccc1 802749920 RPDNWPMHLLMSNC-UONOGXRCSA-N 263.406 3.670 30 20 CHED C[C@H](SCCO[C@H](C)C#N)c1ncc(C(C)(C)C)o1 802751575 LADYWYGPTSXOLP-MNOVXSKESA-N 282.409 3.695 30 20 CHED Cc1cccc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)n1 297922388 YFZNDTKMWZJDSB-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CC[C@@H]1CC[C@@H](C)N1Cc1ccc(O[C@@H](C)C#N)cc1 809768318 HWGSDUHSOPBGBA-IJEWVQPXSA-N 272.392 3.740 30 20 CHED C=CCCCCNC(=O)c1ccc(F)c(Cl)c1F 471719499 YZRGFKHMQARWAC-UHFFFAOYSA-N 273.710 3.704 30 20 CHED C=C(C)CN(C)C(=O)[C@H](CC1CCCC1)C(C)C 479214899 KUYLLCIZSZUVOR-OAHLLOKOSA-N 251.414 3.873 30 20 CHED N#Cc1ccc(CN(CC2CC(F)(F)C2)C2CC2)cc1 295560780 QIJBLLYHXHGMQX-UHFFFAOYSA-N 276.330 3.568 30 20 CHED C=CCC(C)(C)c1noc(-c2noc3c2CCCCC3)n1 565555415 SGXDMOORJXSPFK-UHFFFAOYSA-N 287.363 3.847 30 20 CHED C=CCN(CCC#N)Cc1csc(-c2ccsc2)n1 292110758 HDFHUERJDMCJBQ-UHFFFAOYSA-N 289.429 3.773 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)c1ccc(F)cc1F 802749792 NKPHCKSNAUPUCM-VHSXEESVSA-N 271.332 3.688 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Oc2c(F)cccc2F)c1 808009084 OWATZBQWSHRARH-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C=CCC[C@@H](C(=O)OCc1ccncc1)c1ccccc1 803451050 XRJQSYQNWXAZHU-QGZVFWFLSA-N 281.355 3.875 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccc(CC)cc1 476997859 CTBIZNXVZBUGQO-GFCCVEGCSA-N 263.406 3.885 30 20 CHED C[C@H](C#N)OCCSCC[C@@H](C)OCc1ccccc1 802750325 CKKJETDXKIWJRW-HUUCEWRRSA-N 293.432 3.644 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 293850983 WYSXWACHAKVIFX-LBPRGKRZSA-N 291.366 3.506 30 20 CHED N#CCCCC(=O)Oc1ccc(SC(F)(F)F)cc1 291824906 SHLMCZCNTSHOHJ-UHFFFAOYSA-N 289.278 3.898 30 20 CHED C=CCCCCNC(=O)CCOc1ccc(C)c(C)c1 471684466 GZDKJJKTFUEJLO-UHFFFAOYSA-N 275.392 3.545 30 20 CHED CSc1ccc(NC[C@H](C#N)CCC#N)cc1Cl 563529645 BWARFQAPIJLMKY-JTQLQIEISA-N 279.796 3.917 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(CC(C)C)cc1 643087291 AFNBYUBMNPDUDS-UHFFFAOYSA-N 259.393 3.923 30 20 CHED CC(C)(CCNC(=O)c1cc(C#N)ccc1Cl)C1CC1 565794892 KFEGTBUPTXFWGP-UHFFFAOYSA-N 290.794 3.768 30 20 CHED COCC(=NOCc1ccccc1)c1cccc(Cl)c1 814792543 UOEWKTFBIIALEW-UHFFFAOYSA-N 289.762 3.907 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 641992720 UMCUAUWTNXKABG-WMLDXEAASA-N 287.403 3.902 30 20 CHED Clc1ccc(C=NNc2ccc3ccccc3n2)o1 814697399 MLCCJKFYLFRDMG-UHFFFAOYSA-N 271.707 3.927 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(OC2CCC2)cc1 488877608 HRRHETGBFBUENL-OAHLLOKOSA-N 285.387 3.799 30 20 CHED Cn1cc(CN[C@@H]2CCCC[C@H]2c2ccccc2)cc1C#N 480668397 MPAZOQZVHOGBTI-RBUKOAKNSA-N 293.414 3.713 30 20 CHED FC(F)(F)CON=C1CC[C@H](c2ccccc2)C1 814881351 WPRQRSYSEGTPEL-NSHDSACASA-N 257.255 3.889 30 20 CHED O=[N+]([O-])c1cccc(-c2ccc(C=NOCC3CC3)o2)c1 814243989 WZMJLFXBRXUDMF-UHFFFAOYSA-N 286.287 3.615 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(C3CC3)cc2Cl)[nH]1 816217677 LAHCTOAWBFQZIN-UHFFFAOYSA-N 286.718 3.636 30 20 CHED C=CC[C@H](Cc1ccccc1)NC[C@@H](O)c1cccc(F)c1 819369265 XFQFWJMIMDFRSZ-RTBURBONSA-N 299.389 3.636 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H](C3CC3)C2)s1 579337522 PUHOWRHPMWBRIM-OLZOCXBDSA-N 260.406 3.678 30 20 CHED CC1(C=NN=C(c2ccccc2)c2ccccc2)COC1 814691508 FJQUWAPWWZASKI-UHFFFAOYSA-N 278.355 3.546 30 20 CHED C#CC[C@H](NC(=O)N(CC)CC(C)(C)C)c1ccccc1 813120370 WQHLMYVNHUSWPE-INIZCTEOSA-N 286.419 3.829 30 20 CHED C#Cc1ccccc1CC(=O)NCC[C@H](C)c1ccccc1 810291896 YEPGCLGHKNBZOW-INIZCTEOSA-N 291.394 3.520 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCCCC(C)(C)C1 578700344 QEKLACULOUCEOM-UHFFFAOYSA-N 276.428 3.604 30 20 CHED Cn1ccnc1NN=C1CCCC[C@@H]1C1=CCCCC1 814918244 HZIZRVXHKIGGQY-CQSZACIVSA-N 272.396 3.879 30 20 CHED COc1cccc(O)c1C=Nc1cccc(SC)c1 812387309 JVQVUVQJEBFYOI-UHFFFAOYSA-N 273.357 3.873 30 20 CHED C[C@@H]1C(=NNC2CCCC2)CCCN1Cc1ccccc1 814832481 GDNQMJHFTKIKDC-OAHLLOKOSA-N 285.435 3.559 30 20 CHED C[C@H]1C[C@@H](CC(=O)OCCCC#N)CC(C)(C)C1 727557353 JBWKHNWZPOEWFF-STQMWFEESA-N 251.370 3.686 30 20 CHED C=C(CC)COc1cccc2c1[C@H](O)CC(C)(C)O2 810010004 BMNLVHATMVGXMO-GFCCVEGCSA-N 262.349 3.626 30 20 CHED Cc1ccccc1CCC(=O)OCc1ccc(C#N)cc1F 729012532 DKECMOGUDPHNTH-UHFFFAOYSA-N 297.329 3.682 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCc1ccc(F)cc1C#N 577202752 KHFMFHCFOXVMFW-VXGBXAGGSA-N 260.356 3.612 30 20 CHED CC1(C)CCCN(C(=O)c2cccc(C3CC3)c2)[C@H]1C#N 572538760 FPMQTKLIRSTOCF-INIZCTEOSA-N 282.387 3.718 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)c1ccc(Cl)cc1 651351461 GFHJFMRDYIVTEG-GHMZBOCLSA-N 251.757 3.524 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H]1CCC(C)(C)C1)c1ccccc1 820590804 JDZQALBVEDGRCT-JKSUJKDBSA-N 284.403 3.581 30 20 CHED C=CCC1(C(=O)Oc2cccc(NC(C)=O)c2)CCCC1 824007088 ODZALIDOZUIJGX-UHFFFAOYSA-N 287.359 3.687 30 20 CHED N#CC1(CNC(=O)c2ccc(Oc3ccccc3)cc2)CC1 575965269 BOGIYWNPPWGJTC-UHFFFAOYSA-N 292.338 3.512 30 20 CHED C=C(C)CN(C)C(=O)Nc1cnn(CCC(C)C)c1CC 494942954 SEELWQITCODUDO-UHFFFAOYSA-N 292.427 3.531 30 20 CHED C=CC1CCN(Cc2cc3ccncc3s2)CC1 667624223 QMHXAWDAUOKKEQ-UHFFFAOYSA-N 258.390 3.694 30 20 CHED Cc1csc(NC(=O)N(C)C[C@@H]2CC=CCC2)c1C#N 578903300 COPOSJUMTDDHNN-GFCCVEGCSA-N 289.404 3.748 30 20 CHED CC1(C#N)CCC(NC[C@]2(C)CC2(Cl)Cl)CC1 824779729 BAVVUIADORDLND-MCIGGMRASA-N 275.223 3.632 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)ccc2OC)C1 665158384 GGMLBXORZYLLLJ-CQSZACIVSA-N 288.391 3.824 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C(C)(CC)CC)cc1 589080508 HKWDNUNDLFYZGG-OAHLLOKOSA-N 272.392 3.756 30 20 CHED COC[C@@H](SCCCSCC#N)c1ccccc1 901660926 DZCSCKKZDSQSKN-CQSZACIVSA-N 281.446 3.754 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1OCCF 820985448 XJXSAWNGHLNNRL-GFCCVEGCSA-N 265.328 3.576 30 20 CHED Cc1ccsc1/C=C/C(=O)c1c(C#N)c2n(c1C)CCC2 731937536 IVQBIVRVRPOSSG-AATRIKPKSA-N 296.395 3.880 30 20 CHED C=C(Br)CN1C[C@@H](c2ccccc2)C[C@@H]1C 734641185 XCCJDFSLCHSWNP-JSGCOSHPSA-N 280.209 3.773 30 20 CHED CSCc1ccccc1NC(=O)CCCCCC#N 588962030 NEXKIAXFOLPJSL-UHFFFAOYSA-N 276.405 3.962 30 20 CHED C=CCCCN(CC)Cc1ccc2oc(C(=O)O)cc2c1 903961115 LUOKQPPRGYDXQL-UHFFFAOYSA-N 287.359 3.919 30 20 CHED C#Cc1cccc(Nc2nc(-c3cn(C)nc3C)cs2)c1 732228695 OPGNJBSYFSZRNX-UHFFFAOYSA-N 294.383 3.577 30 20 CHED C=C(Cl)CNC(=O)NCCCc1ccc(C(C)C)cc1 736397813 HTCHZKSEUKESCV-UHFFFAOYSA-N 294.826 3.794 30 20 CHED Cc1ccccc1OCCN(C)c1ccc(F)cc1C#N 582908698 YXMMJRACZSBTFM-UHFFFAOYSA-N 284.334 3.521 30 20 CHED COc1cc(C#N)ccc1COc1cc(Cl)ccc1C#N 499309469 SWXMMIVVQANQSX-UHFFFAOYSA-N 298.729 3.671 30 20 CHED C=C[C@@](C)(CC)c1nc(COc2ccc(Cl)nc2)no1 906125149 DLPQAZJHNOAWMC-AWEZNQCLSA-N 293.754 3.551 30 20 CHED O=C1/C(=C\c2cc(Cl)cs2)CCc2nc(O)ccc21 588601298 RMIMMZJZVPSPGO-YVMONPNESA-N 291.759 3.715 30 20 CHED C[C@@H](CSCc1ccc(C#N)cn1)c1ccccc1 582250873 FULYTXVUDSYGET-ZDUSSCGKSA-N 268.385 3.990 30 20 CHED C#Cc1cccc(NC(=O)c2sccc2Cl)c1 163119343 OMJMCOBYBCONCR-UHFFFAOYSA-N 261.733 3.635 30 20 CHED C=CCC[C@@H](C)NCCc1cc2ccc(C(=O)O)cc2o1 905804900 VXZIAVMMWJZHGJ-GFCCVEGCSA-N 287.359 3.618 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)c2ncccc2C#N)c1 498980588 WIUXSNLVNZQILF-AWEZNQCLSA-N 265.360 3.768 30 20 CHED CCOC1CC(CCN[C@@H](CC)c2cccc(C#N)c2)C1 902971500 YXTSPKUGPHIFLI-UYJHFMRCSA-N 286.419 3.804 30 20 CHED C=CCOc1ccccc1CNC1CC(OC(C)(C)C)C1 492162639 VSBAXWLAEDLLOV-UHFFFAOYSA-N 289.419 3.687 30 20 CHED C=CCCNC[C@H](C)c1ccc(C(F)(F)F)cc1 668481756 KTSQYTQOZOZCJM-NSHDSACASA-N 257.299 3.975 30 20 CHED CC[C@H]1C[C@H](C(=O)OCCCCC2(C#N)CCC2)CCO1 909153033 GOCXDNJEDGNYMP-CABCVRRESA-N 293.407 3.599 30 20 CHED C=CCS[C@H](C)C(=O)Nc1ccc(C)cc1Cl 582094922 OQSPNJXWYUSHLZ-SNVBAGLBSA-N 269.797 3.895 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1ccc(C)nc1C 835021706 QSGKUYCBUYVRPF-GOSISDBHSA-N 297.377 3.839 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2cc(F)ccc2F)C1 839049010 PPBNKLOPYQYBDU-BXUZGUMPSA-N 293.313 3.523 30 20 CHED N#Cc1ccccc1S[C@@H](C(=O)O)c1ccccc1F 833076628 KPRIMNYXQYMDBY-CQSZACIVSA-N 287.315 3.615 30 20 CHED C=C(Cl)CN1CCCC[C@@H]1c1nc2ccccc2[nH]1 839617842 SGWBDKBVGYCZGQ-CQSZACIVSA-N 275.783 3.842 30 20 CHED C=CC(C)(C)CCCNCc1cc(C(=O)O)cs1 902282486 YQFQPPUOZXQLSH-UHFFFAOYSA-N 267.394 3.528 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)cc1C 905430672 ZTQHYJQHIOAOKG-JSGCOSHPSA-N 279.767 3.568 30 20 CHED Cc1nc(-c2ccc(NC(=O)CCCC#N)cc2)oc1C 589692889 FJVVTXOLXVQTOX-UHFFFAOYSA-N 283.331 3.591 30 20 CHED Cc1ccsc1C=NNc1cccc(C(F)(F)F)n1 739421089 CQZZZRPNPDXOOL-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CC(=NNc1ccccc1Cl)c1cncs1 734744132 BIURICACLHQWSH-UHFFFAOYSA-N 251.742 3.633 30 20 CHED Cc1c(C(=O)/C=C\c2ccccc2F)cnn1C(C)(C)C 588558788 DSOYCZCJRAOKPL-KTKRTIGZSA-N 286.350 3.982 30 20 CHED COc1ccc(/C=C\C(=O)c2cncc(C)c2)cc1Cl 588476692 YOYLGNRJIVAGRJ-HYXAFXHYSA-N 287.746 3.948 30 20 CHED CSc1ccc(N(C)C(=O)CCCCCC#N)cc1 588755733 UGDDBUJJICYDOX-UHFFFAOYSA-N 276.405 3.845 30 20 CHED N#CCc1cccc(NC(=O)N2CCCCCCCC2)c1 836768730 KLILFYAXNXJYHY-UHFFFAOYSA-N 285.391 3.941 30 20 CHED C=CCN(C(=O)c1ccc(OC2CCCC2)cc1)C1CC1 678495779 BSJSCGOKPCYHOK-UHFFFAOYSA-N 285.387 3.799 30 20 CHED Cc1cc(C)c(C#N)c(N(C)[C@@H]2CCc3ccccc3C2)n1 733994468 JFIKNYYAAYDFDI-QGZVFWFLSA-N 291.398 3.564 30 20 CHED C[C@@H](N[C@H](C1CCC1)C1CC1)c1ccc(C#N)c(F)c1 834912729 UFNGEFAIHUMDFH-PIGZYNQJSA-N 272.367 3.927 30 20 CHED N#C[C@@H](C(=O)CC1CCCC1)c1ccc2ccccc2n1 916848787 GXGTXJJZIVMHFE-OAHLLOKOSA-N 278.355 3.991 30 20 CHED CCOc1cccc(C=NNc2cccc(C)c2)c1O 916256325 VJUAATRXSDQOGH-UHFFFAOYSA-N 270.332 3.545 30 20 CHED C=CCCSCCN[C@H](C)c1cc(C)c(C)o1 595057274 BZOMPOAWJKXJAS-GFCCVEGCSA-N 253.411 3.856 30 20 CHED C#CCCOc1ccc(C=NNc2ccc(Cl)nc2)cc1 743449867 GSGLKOWSCKNZOW-UHFFFAOYSA-N 299.761 3.583 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C1CC1 749032400 GACAVFOJDUVQGG-KWQFWETISA-N 288.347 3.658 30 20 CHED CCC(C=Nn1c(S)nnc1-c1cccs1)CC 916314072 NJMWBORDVASHMN-UHFFFAOYSA-N 280.422 3.565 30 20 CHED CC(C)(C#N)C(=O)OCCSc1ccc(Cl)cc1 744790681 OYMGHHWUBLDKSM-UHFFFAOYSA-N 283.780 3.525 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H](C)c2ccccc2)o1 745611825 KAJNYBRTFWFNLG-GFCCVEGCSA-N 282.347 3.871 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Oc1cccc(OCC#N)c1 841344528 XUNHGDFSSXXLPC-XJKSGUPXSA-N 287.359 3.711 30 20 CHED CC[C@H](C)[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)OC 590779081 DELBKAGNCZZNBM-VHSSKADRSA-N 286.419 3.586 30 20 CHED CCC[C@@H](C#N)NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 598896661 LXARKEVDMLOLPH-NSHDSACASA-N 289.766 3.552 30 20 CHED COc1ccc(C)cc1C=NNc1cc(F)c(F)c(F)c1 747642838 UVIICPYEEJCSJO-UHFFFAOYSA-N 294.276 3.867 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C(C)=C\c1ccc(Cl)cc1 847168452 MULCFDKWZOMZMF-RBJHHQRMSA-N 276.767 3.504 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ccncc1F 741181769 GGDMKIGANQSZMP-CYBMUJFWSA-N 280.387 3.947 30 20 CHED CC1(C)C(=NNc2cc(F)c(F)cc2F)[C@H]2CCCO[C@@H]21 743440783 YOBUTUMTKUEXFZ-CLAHSXSESA-N 298.308 3.707 30 20 CHED CC(C)(C)OCCCC(=O)OCCC1(C#N)CCCCC1 840567474 UIHJYZUHWFYIRB-UHFFFAOYSA-N 295.423 3.989 30 20 CHED C[C@H]1OCCC1=NNc1ccc(Cl)c(Cl)c1 747750458 AIEUKKIRTTZXBM-SSDOTTSWSA-N 259.136 3.570 30 20 CHED CC(C)(CC#N)CNC(=O)N1CC(C)(C)[C@H]1c1ccccc1 590949441 SBSRMUZWQXUBQP-OAHLLOKOSA-N 299.418 3.719 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)Cc2ccccc21 916151476 IQHTUYSUHWUKLW-AWEZNQCLSA-N 262.356 3.678 30 20 CHED C=CC[C@@H]1CCC(=NNc2cccc(C(=O)O)c2C)C1 844623516 OHZXRKQZCBAPHI-GFCCVEGCSA-N 272.348 3.837 30 20 CHED CC[C@@H](C#N)C(=O)NCC1(c2ccccc2)CCCCC1 593404693 VBSGJXZWJPPGHS-HNNXBMFYSA-N 284.403 3.554 30 20 CHED C[C@H]1N(C(=O)CC(C)(C)C#N)c2ccccc2C1(C)C 598276879 VIGRWRJQBYOSJO-GFCCVEGCSA-N 270.376 3.639 30 20 CHED CC[C@H](CC(=O)N(CC)[C@H](C)C#N)c1ccc(C)cc1 598358994 IJOORWSOJXXHIC-HUUCEWRRSA-N 272.392 3.639 30 20 CHED C=CC[C@@H]1CCCN(C(=O)NCCC2(CSC)CC2)C1 595737438 BWGIULRFMWAYAR-CQSZACIVSA-N 296.480 3.517 30 20 CHED C=C(Br)CN[C@H](C)[C@@H]1C[C@H]1c1cccs1 841746363 FLWCXCVHJOXLJE-OUAUKWLOSA-N 286.238 3.738 30 20 CHED C=CCOc1ccc(OC(=O)[C@H]2CCC[C@@H](C)C2)cc1 742860674 CMZJTFDEELIGOX-KGLIPLIRSA-N 274.360 3.983 30 20 CHED N#Cc1csc(/C=C2\Cc3c(F)cccc3C2=O)c1 748441002 UPWYUZNTXVOQMV-BJMVGYQFSA-N 269.300 3.581 30 20 CHED C[C@@H](C=NOCc1cccnc1)CCc1ccccc1 746587948 UNFYTLCWWVGVCT-OAHLLOKOSA-N 268.360 3.853 30 20 CHED Cc1ccc([C@@H](C)C(=O)O[C@@H](C)c2cccc(C#N)c2)o1 744100887 HMFLYPBQDKTXSE-OLZOCXBDSA-N 283.327 3.868 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H](C)Oc1ccccc1C 741845436 TXJSNQPQHXQTJG-VCRXTVNUSA-N 299.370 3.596 30 20 CHED O=C1/C(=C/C2=Cc3ccccc3OC2)Cc2ccc(F)cc21 749002219 KPKZTGVERHRJGY-OVCLIPMQSA-N 292.309 3.967 30 20 CHED Fc1c(Cl)cccc1NN=C1CCn2cccc21 921138016 ZKXBYMGRSXJUMP-UHFFFAOYSA-N 263.703 3.501 30 20 CHED C#CC1CCN(C(=O)C[C@H]2C[C@H](C)c3c(C)cccc32)CC1 843700707 PTMLACRMKNIIIT-DOTOQJQBSA-N 295.426 3.848 30 20 CHED C#CCCCN[C@H](c1cccnc1)c1cc(C)cc(C)c1 925162671 WERGHROXBMZPGU-LJQANCHMSA-N 278.399 3.791 30 20 CHED C#CCCCCC(=O)Nc1ccc(-c2ocnc2C)cc1 928818001 XVIGVMDQIACSLF-UHFFFAOYSA-N 282.343 3.782 30 20 CHED C=CCCCNC(=O)N[C@@H]1CCc2ccc(Cl)cc21 858407188 FNPSUXDETNHBHW-CQSZACIVSA-N 278.783 3.593 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@@H]1CC[C@@H](C)C1 851209128 JDFLVRJDRKSSTK-FRRDWIJNSA-N 251.370 3.684 30 20 CHED C#CC[C@@H](CCOC)NCc1cc(-c2ccccc2)cs1 858334350 UGNWUQJWHFYYTA-KRWDZBQOSA-N 299.439 3.933 30 20 CHED C#CC[C@H](NC(=O)C[C@@H](C)CCC)c1ccccc1 757599506 MYGZIEKAHAJACE-HOCLYGCPSA-N 257.377 3.694 30 20 CHED CC1(C)C(=NNCc2cccc(Cl)c2)[C@@H]2CCCO[C@H]21 756826977 HSHILUBDCGBHAU-DZGCQCFKSA-N 292.810 3.621 30 20 CHED COc1ccc(C(C)=NN[C@@H](C)c2ccccc2)cc1 920386223 UMBBLMHRONBSQW-ZDUSSCGKSA-N 268.360 3.770 30 20 CHED CCCCCC=Nn1c(S)nnc1-c1ccccc1 755512438 KWNGJHKJWFEWFD-UHFFFAOYSA-N 274.393 3.648 30 20 CHED CCCn1nccc1/C=C1\C(=O)c2cccc3c2[C@H]1CCC3 853007286 SWZGOUYRALDSDX-ZKMNFCBKSA-N 292.382 3.993 30 20 CHED CC[C@H]1CCCC1=NNc1oc(C(C)C)nc1C#N 758375207 NRJZIBTWBDOFSQ-JTQLQIEISA-N 260.341 3.648 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C(C(C)C)C1CC1 750937824 ZGPBWQIAIWPYSA-UHFFFAOYSA-N 261.325 3.737 30 20 CHED C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)c(F)c1 850543324 HTAVKFQCSCNWON-VOJFVSQTSA-N 296.345 3.741 30 20 CHED CCOc1ccccc1CN[C@@H](C)CC(C)(C)C#N 924743179 VHASXBBMFBPCRS-ZDUSSCGKSA-N 260.381 3.503 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cc(F)ccc2F)s1 757475197 PUIFLTXACRSIEF-XQRVVYSFSA-N 275.279 3.794 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc2c(c1)-c1ccccc1C2 751157080 BAVWRWRIEIHUFX-SFHVURJKSA-N 291.350 3.963 30 20 CHED C=CCCC(CC)=NNc1nncc2ccccc12 750917608 JUWIHXOPGQUVCE-UHFFFAOYSA-N 254.337 3.774 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)cc1 31089021 HEXJRIHZNDHFHD-DZGCQCFKSA-N 271.364 3.649 30 20 CHED C#CCCCC(=O)O[C@H](C)c1ccccc1Br 759153925 ONVLDDZCYYFWCY-LLVKDONJSA-N 295.176 3.857 30 20 CHED Cc1cc(C)nc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 930765047 RSCXQYMTNZSXCZ-HNNXBMFYSA-N 279.387 3.763 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](COc2ccccc2)C1 935305391 YBHLNIUUXHFLLL-JKSUJKDBSA-N 287.403 3.516 30 20 CHED CCCn1nc(C)c(/C=C2\CCc3ncccc3C2=O)c1C 865227720 VIWWCMLCKKOGPN-SDNWHVSQSA-N 295.386 3.517 30 20 CHED CCN(C(=O)[C@H](F)c1ccccc1)c1ccc(C#N)cc1 769477988 YBNCRPMHNZJWLB-MRXNPFEDSA-N 282.318 3.622 30 20 CHED S=C(NN=C1CC[C@@H]1c1ccccc1)Nc1ccccc1 769762440 BRDJHJNGLNMMRO-OAHLLOKOSA-N 295.411 3.907 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccccc1Br 767098030 FTNUNCVFAJDTED-UHFFFAOYSA-N 295.176 3.542 30 20 CHED C#CCCN(Cc1ccc2ncccc2c1)CC(F)(F)F 768533494 SGGDFIIQFDGQIE-UHFFFAOYSA-N 292.304 3.622 30 20 CHED CCOc1cccc(/C=C\C(=O)O[C@H](C#N)C(C)(C)C)c1 860647371 XXJSEAODMXMIBK-FJVVXJACSA-N 287.359 3.580 30 20 CHED COc1ccsc1C=NNc1c(F)cccc1Cl 769830167 WWRHMWXAEUJXGA-UHFFFAOYSA-N 284.743 3.995 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc2[nH]c(CC)cc(=O)c2c1 935262095 OWPNMSUJESTIRV-LBPRGKRZSA-N 298.386 3.631 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C[C@@H]1CCC[C@H](C)C1 768366235 ZZEKNGMHQKQSGA-NWDGAFQWSA-N 291.351 3.827 30 20 CHED CCn1nc(/C=C/C(=O)c2ccco2)c2ccccc21 769747229 XYGYDSVAFVKPNV-MDZDMXLPSA-N 266.300 3.545 30 20 CHED C[C@@H](CC(=O)OCC1(C#N)CCC1)c1ccc(F)cc1 768079697 ZHZROQCSJSIURG-LBPRGKRZSA-N 275.323 3.556 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(O)cc1F 761889506 DTHNKEZXORUAIO-UHFFFAOYSA-N 292.285 3.515 30 20 CHED Cc1cccc([C@@H](C)OC(=O)Cc2ccccc2CC#N)c1 761115422 MMRBAVGQUOABQQ-OAHLLOKOSA-N 293.366 3.908 30 20 CHED CCCCCCCNC(=O)c1c(C)noc1C(F)F 862358469 JBOQVVVPEOYONN-UHFFFAOYSA-N 274.311 3.621 30 20 CHED O=C(/C=C/c1cccc(-n2cccn2)c1)c1ccsc1 760266354 TWAYGWKHCCMOFS-AATRIKPKSA-N 280.352 3.830 30 20 CHED C=CC[C@H](N[C@@H]1CCc2ccccc21)c1ccncc1 766021502 UFPHOKPSSFVWBX-ZWKOTPCHSA-N 264.372 3.976 30 20 CHED CC1(C)CCC(=NNc2ccc(F)c([N+](=O)[O-])c2)C1 769822792 MAEJJIOLBXBGIC-UHFFFAOYSA-N 265.288 3.712 30 20 CHED C=CCCCCNC(=S)NCCSc1ccccc1 769759859 HTJAWIXHYJTEJV-UHFFFAOYSA-N 294.489 3.599 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc(C#N)c(C)c1 766491302 NZGFNVNEPQPQOT-GQCTYLIASA-N 283.352 3.833 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@H](C)C(C)(C)C#N 768004474 XWOHLZFPTSXTLI-GFCCVEGCSA-N 285.343 3.765 30 20 CHED N#Cc1cccc(Br)c1N1[C@H]2CCC[C@H]1CC2 1458233185 QADDXWYTHPYVQI-RYUDHWBXSA-N 291.192 3.842 30 20 CHED Cc1ccc(COC(=O)Cc2ccc(C#N)cc2)c(Cl)c1 773407936 GYSCDDLGFMMGHQ-UHFFFAOYSA-N 299.757 3.806 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1ccc2c(c1)CCCC2 776361919 KWZCXPHJPGRIGK-UHFFFAOYSA-N 285.387 3.591 30 20 CHED N#Cc1ccc(C(=O)OC2(Cc3ccccc3)CC2)s1 770915664 VYUWYONUOSQONS-UHFFFAOYSA-N 283.352 3.552 30 20 CHED Cc1ccc(C#N)cc1OCc1coc(C(C)(C)C)n1 877878978 KIEHVCBMVQKGQH-UHFFFAOYSA-N 270.332 3.731 30 20 CHED C#C[C@H](N[C@H]1CC=C(c2ccc(F)cc2)CC1)[C@H]1CCCO1 775573168 WUEWNXJMERXPKI-GBESFXJTSA-N 299.389 3.532 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(N(C)CC)cc1 773004220 IZJBEQGLLAASHL-LBPRGKRZSA-N 252.789 3.546 30 20 CHED CC(C)(C)c1ccc(NN=C2CCC23CCCC3)nn1 1116753216 VNVRSDSSSWVBRL-UHFFFAOYSA-N 272.396 3.896 30 20 CHED C=CCSCCN[C@@H](C)c1cc2ccccc2[nH]1 775629036 UOZIVKHOLRMHAA-LBPRGKRZSA-N 260.406 3.738 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CC(=NO[C@@H]1CCCCO1)CC3 778544905 LVLURGYDASSSTO-GOSISDBHSA-N 298.386 3.864 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2cc(Cl)ccn2)o1 777907422 ULOYXGLIDXMGCW-JOYOIKCWSA-N 275.739 3.897 30 20 CHED Fc1ccc(C2=CCC(=NNCC(F)F)CC2)cc1 776772774 ROVNNGQQIBNUSL-UHFFFAOYSA-N 268.282 3.604 30 20 CHED C#CCOc1cccc(Cl)c1CN[C@H]1CC=CCC1 778168309 AWOYXIDIMVAUKT-ZDUSSCGKSA-N 275.779 3.550 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(OCC(C)(C)O)cc1 777693078 OKRYKXGSUFZPGR-UONOGXRCSA-N 277.408 3.849 30 20 CHED Cc1ccc(N[C@H](C)c2ccc(C)s2)c(C#N)n1 881837225 PPOVTBFZSZKOOF-LLVKDONJSA-N 257.362 3.805 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(C#N)c(F)c1 776726666 LIAFDDNBWHARRK-SNAWJCMRSA-N 287.315 3.664 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)Cc2ccc(C)cc2)c1 778559910 FZYBLULNCTUXBQ-HNNXBMFYSA-N 277.367 3.794 30 20 CHED C=CCCCC(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C 778815988 CWLHQYXYDLSOLW-GFCCVEGCSA-N 277.320 3.864 30 20 CHED Cc1ccc(C)c(CC(=O)O[C@@H](C#N)C2CCCCC2)c1 776383905 UPIFVFKLYLVCKA-KRWDZBQOSA-N 285.387 3.862 30 20 CHED CCCCCCCCn1nc(C)c(NC(C)=O)c1C 882978372 MSHFEIUGBKDFHD-UHFFFAOYSA-N 265.401 3.819 30 20 CHED Cc1ccc(C)c(C=NNc2ccc3c(=O)[nH]ccc3c2)c1 789073128 CDIBUPRPQZIQAN-UHFFFAOYSA-N 291.354 3.591 30 20 CHED CC[C@H](C)CC(=O)[C@H](C#N)c1nccn1Cc1ccccc1 1122606861 RTLZZBFLPSCYBH-HOCLYGCPSA-N 295.386 3.544 30 20 CHED CCc1cccc(CON=Cc2cccc(OC)c2OC)c1 786737668 GCNVVBYEWMABMV-UHFFFAOYSA-N 299.370 3.817 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 785757478 KNCJBXHCWIMUOS-AWEZNQCLSA-N 297.738 3.894 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)c1ccc2cnccc2c1 782232150 WHEPVXHREMOSPC-UHFFFAOYSA-N 298.349 3.651 30 20 CHED C=C1CCC(C(=O)N2CC3(CCC3)[C@H]2C(C)C)CC1 897820654 UOUKGGCGYGTLFL-OAHLLOKOSA-N 261.409 3.770 30 20 CHED C=CC[C@@H](NC(=O)c1c(C)oc(C)c1C)c1ccncc1 786171223 NYRDWTOFDRIPLZ-OAHLLOKOSA-N 284.359 3.647 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] 785761632 LLEYGZUYWDRVKZ-CQSZACIVSA-N 297.738 3.894 30 20 CHED CCc1oc2ccccc2c1C=NNCCc1ccncc1 789093768 LHJILDVUDDRMIK-UHFFFAOYSA-N 293.370 3.556 30 20 CHED C#CCCCCCC(=O)Nc1cc(CC(C)(C)C)[nH]n1 780552181 TTYLRYHMYDJAJZ-UHFFFAOYSA-N 275.396 3.521 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1cc(C)cc(C)c1 780253203 QZUYRZKLPQVPKT-INIZCTEOSA-N 274.408 3.575 30 20 CHED CCCc1cccc(/C=C\C(=O)c2cncs2)c1 787171744 OSNSPIPXEIEITQ-FPLPWBNLSA-N 257.358 3.992 30 20 CHED Cc1cccc2ncc(/C=C/C(=O)c3ccnc(Cl)c3)n12 782194381 NTYJOILJYQSYFZ-AATRIKPKSA-N 297.745 3.587 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(C#N)cc1Cl 784243692 MZXNXUXCAJCAOT-WDEREUQCSA-N 279.767 3.937 30 20 CHED C#CCCCCC(=O)OCc1cc(OC)ccc1Cl 791438705 FFRFVQBVJIIROT-UHFFFAOYSA-N 280.751 3.585 30 20 CHED CC(C)CC[C@H]1CCCC1=NNc1nc2ccccn2n1 790197176 MHNYTOGUVZFWEE-CYBMUJFWSA-N 285.395 3.734 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCCc2c1cnn2C 793523039 HNGFPLRUFKQXQL-HOCLYGCPSA-N 275.440 3.912 30 20 CHED C=C1CC(c2noc([C@@H](c3ccccc3)N(CC)CC)n2)C1 896876125 CPDORUSMOIJQLJ-MRXNPFEDSA-N 297.402 3.934 30 20 CHED Cn1ccnc1NN=C1CCC[C@H]1c1ccc(Cl)cc1 790299257 AHECISPUNSQYTE-ZDUSSCGKSA-N 288.782 3.809 30 20 CHED CC[C@@H]1C[C@H]1NC(=O)Nc1scc(C(C)(C)C)c1C#N 1205528689 QQUQHAQAOYTRMN-BXKDBHETSA-N 291.420 3.837 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc2ncccc2c1 796473233 GIBLEMWEOCEFIL-UHFFFAOYSA-N 269.344 3.880 30 20 CHED C[C@@H](NC(=O)OCCc1ccccc1)c1ccc(C#N)cc1 1208555049 ILJFFSFJRHFKQU-CQSZACIVSA-N 294.354 3.588 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 1309984235 AHVHUGHIFUMXBY-DOMZBBRYSA-N 285.391 3.895 30 20 CHED CC(C)CN(Cc1ccccc1F)c1ccnc(C#N)c1 1162303282 MQUJKRFUTLMKFY-UHFFFAOYSA-N 283.350 3.755 30 20 CHED C=CCCC(=O)N1CCC(Nc2ccccc2Cl)CC1 1318171318 KGYAQYBSXVTZQI-UHFFFAOYSA-N 292.810 3.709 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N1CCC[C@](C)(C#N)C1 590705952 RUAJJPLRSSGBMP-GOEBONIOSA-N 264.413 3.601 30 20 CHED Cc1ccc(C[C@H](C)Nc2cccc(CC#N)n2)s1 1320364689 PLIJUALPNYPKSG-NSHDSACASA-N 271.389 3.561 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(F)c2)ccc1F 1320164695 LMMYBNTUDZBSFK-SOFGYWHQSA-N 274.266 3.870 30 20 CHED C#CC[C@@H](CCOC)NCc1cc2cc(C)c(C)cc2o1 1329528975 BQCROGWVESAAIM-INIZCTEOSA-N 285.387 3.568 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)CCOCc1ccccc1 389915814 MTWJQNDLBBELFQ-CVEARBPZSA-N 261.409 3.926 30 20 CHED CC#CCCCC(=O)Oc1ccc(C)c2c1C(=O)C[C@H]2C 1321213718 QISBSGWNOHYQSA-CYBMUJFWSA-N 284.355 3.784 30 20 CHED CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1cccc(OCC#N)c1 1320578596 WTGUKAQRJXIVJE-LESCRADOSA-N 286.419 3.893 30 20 CHED Cc1cccc(NN=Cc2ccc3c(c2)CCC3)c1 1329965063 CULUQIQMXBCICG-UHFFFAOYSA-N 250.345 3.930 30 20 CHED CCCCCCCCN(C)Cc1cnn(CC)c1 740878209 UBROBQSGTSUNAI-UHFFFAOYSA-N 251.418 3.695 30 20 CHED CCC[C@@H]1C[C@H](c2nnc(-c3ccc(C#N)cc3)o2)CCO1 1327796426 PYHIHKPTFWHARI-HUUCEWRRSA-N 297.358 3.671 30 20 CHED Cc1ccccc1CCc1nnc(-c2ccc(C#N)cc2)o1 1322325693 PNJROAHDOJWXIR-UHFFFAOYSA-N 289.338 3.702 30 20 CHED COc1ccc(Cl)cc1C(C)=NOC(C)(C)C 1320326323 ZRLUFMCMNNCPNE-UHFFFAOYSA-N 255.745 3.888 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1C=CCCC1 187850081 WWSSGTZBHQPPDT-CQSZACIVSA-N 262.397 3.521 30 20 CHED Cc1ccc(NN=C2CSC[C@H]2C)cc1Cl 1321861145 PFZPJECBLLJGSA-SECBINFHSA-N 254.786 3.799 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1c(C)cc(Cl)cc1C 1326311371 MOXAKYSEHPRWBO-UHFFFAOYSA-N 299.761 3.784 30 20 CHED Oc1ccc(Br)cc1/C=N/[C@H]1C=CCCC1 1322495222 KVQOORFSMOZQKI-DGGAMASNSA-N 280.165 3.682 30 20 CHED CCCCCCCCC/C=C/C(=O)N1C[C@@H]2C[C@@]2(CO)C1 1338655973 KRKHKXOPLGRKJZ-FNPQLZQRSA-N 293.451 3.524 30 20 CHED N#Cc1ccc(COc2ccc(Cl)cc2Cl)nc1 582941489 IUEVUSTUHLUAJC-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C=C(C)CCC(=O)NCc1ccc(CSC)cc1 1338999485 UWIKVEXHRMVARQ-UHFFFAOYSA-N 263.406 3.522 30 20 CHED CC[C@@H](NCCCC(F)F)c1cccc(C#N)c1 1333148796 BYXSCNNIORXSPT-CYBMUJFWSA-N 252.308 3.644 30 20 CHED C=C(C)CCC(=O)NC[C@H](c1ccccc1)C(F)(F)F 1338820128 VISMYPGDEPRDET-CYBMUJFWSA-N 285.309 3.805 30 20 CHED C=CCCCOC(=O)C1(c2ccc(Cl)cc2)CC1 735524106 YJWRALRGQGZLBW-UHFFFAOYSA-N 264.752 3.881 30 20 CHED C=CCCc1ccccc1NC(=O)c1cnn(CCC)c1C 1335946285 TZTYREJEVGFCKV-UHFFFAOYSA-N 297.402 3.972 30 20 CHED C#CCN(Cc1ccc(Cl)cn1)C1CCCCC1 778211575 LVGUNCZWFBIPTL-UHFFFAOYSA-N 262.784 3.503 30 20 CHED N#Cc1csc(CNCc2ccc(OC(F)F)cc2)c1 93492138 GQQMPMWYBUKILV-UHFFFAOYSA-N 294.326 3.511 30 20 CHED C=C(C)Cn1c(N2CC[C@@H](C)C[C@H]2C)nnc1C(C)(F)F 1263281714 BZAGITDLWGACCX-VXGBXAGGSA-N 298.381 3.591 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2ccc(Cl)s2)n1 97476347 JGUNUNZYJPLQGY-UHFFFAOYSA-N 291.807 3.940 30 20 CHED CCCCC[C@H](CC)C(=O)[C@@H](C#N)c1nccn1CC 1263616689 DQLQFBXEVFLDJA-UONOGXRCSA-N 275.396 3.686 30 20 CHED CC(C)(Cc1ccccc1)C(=O)[C@@H](C#N)c1cccc(F)n1 1342643878 UXJXDAWHBOQHTR-AWEZNQCLSA-N 296.345 3.666 30 20 CHED COc1ccccc1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 1348668742 FAPPJXOZIOIKEV-GFCCVEGCSA-N 298.367 3.519 30 20 CHED N#Cc1cccc(-c2nnc(C(F)(F)c3ccccc3)o2)c1 1341639875 FIFMAXBSCORLFC-UHFFFAOYSA-N 297.264 3.748 30 20 CHED C=C(C)CCC(=O)NCc1c(C)oc2ccccc12 1346991488 FTGDHAKHJSKFRT-UHFFFAOYSA-N 257.333 3.714 30 20 CHED CCC[C@@H]1CCCN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1348772778 SRNKJQQUFDUVKV-NVXWUHKLSA-N 297.402 3.520 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C[C@H]1CCCCC1(C)C 1345646144 FZJTVMGQIVICGB-ZIAGYGMSSA-N 287.407 3.686 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(Br)o1 1347510140 FJTUEPVLKFPQDR-JTQLQIEISA-N 298.180 3.613 30 20 CHED C=C(C)CCC(=O)N1Cc2ccccc2C[C@@H]1CC 1353645948 WSZBICMKLZNLNQ-INIZCTEOSA-N 257.377 3.706 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1cc(C#N)c(F)cc1F 1438608102 BGTHWZHICOTINK-AWEZNQCLSA-N 284.281 3.693 30 20 CHED CCCC[C@H](C(=O)Nc1cc(C#N)ccc1OC)C(C)C 1519247709 IKTVMSOBCHANSC-AWEZNQCLSA-N 288.391 3.968 30 20 CHED C=C(C)CCC(=O)O[C@H]1CCCc2nc(C)sc21 1516625072 PEPDTOXGYYLAGT-LBPRGKRZSA-N 265.378 3.728 30 20 CHED N#Cc1cncc(NCC2(Cc3ccccc3)CCCC2)n1 1458299017 RJWUIHYSJSAGCF-UHFFFAOYSA-N 292.386 3.563 30 20 CHED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccoc1 1518102261 NMOAKMAPDNJYEA-DZGCQCFKSA-N 283.327 3.971 30 20 CHED N#CC[C@@H](OC(=O)CCCc1ccccc1)c1ccco1 1520424930 FFXKZRJQNLJVHM-MRXNPFEDSA-N 283.327 3.800 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1cc(F)cc(C#N)c1 1462171017 OUZAHUCNRMJDPK-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C=C[C@@H](C(=O)NC[C@H]1CCC2(CCCC2)O1)c1ccccc1 1528592484 IFJQNSJOSXZKGJ-IAGOWNOFSA-N 299.414 3.564 30 20 CHED CC1(C)CCC[C@@H]1C(=O)O[C@@H](CC#N)c1ccco1 1526993021 PBNKYCMXGRQBRI-YPMHNXCESA-N 261.321 3.604 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 1464217091 ZNMIZUFXCOLCIY-LLVKDONJSA-N 299.305 3.501 30 20 CHED N#Cc1ccc(F)cc1Oc1ccc2cc(C(=O)O)oc2c1 1601106604 VYBLOLPJQGPDNQ-UHFFFAOYSA-N 297.241 3.934 30 20 CHED CCCC(C)(C)NC(=O)Nc1cc(C#N)c(F)cc1F 1563202245 CLOIGTRAJQWXIH-UHFFFAOYSA-N 281.306 3.537 30 20 CHED CC(=O)c1ccc(Oc2ccnc(C#N)c2)cc1Cl 1652255667 XDTPDLDMNFQBEB-UHFFFAOYSA-N 272.691 3.602 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1F)[C@H]1CC1(C)C 1656473519 UROVUZIOSZMPSD-HIFRSBDPSA-N 260.356 3.612 30 20 CHED Cc1nc(N(Cc2ccc(F)cc2)CC2CC2)ccc1C#N 1650755432 PMIUVKWPEZDDCV-UHFFFAOYSA-N 295.361 3.817 30 20 CHED C=CCCCCCSc1cccc(-c2nn[nH]n2)c1 1588596859 ZXGHVSAUYYKRTA-UHFFFAOYSA-N 274.393 3.705 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(C)c1)[C@H]1CC1(C)C 1662686998 XPJFZIQVSXRGLL-HZPDHXFCSA-N 256.393 3.781 30 20 CHED CC1(C)C/C(=C/c2c[nH]c(C(=O)O)c2)C(=O)c2ccccc21 1593842561 PODSMWGPKKNRQB-GHXNOFRVSA-N 295.338 3.661 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(F)cc1 1665716617 IUALQZZPESJCGN-GFCCVEGCSA-N 297.333 3.922 30 20 CHED Cc1c(NN=C/C=C\c2ccccc2)cccc1C(=O)O 1776090245 ZOCAPRZZSIBRBI-WPFQCSIDSA-N 280.327 3.804 30 20 CHED Cc1csc(NC(=O)N2CCc3cccc(C)c32)c1C#N 1671651807 ZADQCXIJZOIJRG-UHFFFAOYSA-N 297.383 3.831 30 20 CHED C=CCc1cccc(CN2CC=C(C(C)(C)C(=O)O)CC2)c1 1776187352 RFCOUHLXNVIEDP-UHFFFAOYSA-N 299.414 3.658 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCCSCC(C)C)C1 1776154112 DECSZULLLUNACC-INIZCTEOSA-N 299.480 3.509 30 20 CHED N#Cc1cccc(CNc2cccc(Br)c2)c1 19941717 CJRBIFABZABHFF-UHFFFAOYSA-N 287.160 3.933 30 20 CHED CSc1cc(C)ccc1CNc1nc(C)ccc1C#N 161812436 OWJIKSYRBZYMGZ-UHFFFAOYSA-N 283.400 3.904 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc1 7333330 WMUFUPRYBOWARP-BQYQJAHWSA-N 286.352 3.905 30 20 CHED CCOc1cc(/C=C\C(=O)c2cccc(OC)c2)ccc1O 209992081 BUTZFKRWMXBGDJ-CLFYSBASSA-N 298.338 3.696 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 6338238 BSLRAXYXGADQNG-IZZDOVSWSA-N 266.296 3.589 30 20 CHED CO[C@@H](CSCc1cc(C#N)ccn1)c1ccccc1 901787193 JUZNZXHBWUXQER-INIZCTEOSA-N 284.384 3.574 30 20 CHED C=CCSCCN[C@@H](C)c1ccc2c(c1)CCCO2 850442675 OWFNDLXHLBODBF-ZDUSSCGKSA-N 277.433 3.581 30 20 CHED N#Cc1c(F)cccc1N1CCC[C@H]2CCCC[C@H]21 226107707 RQGVGYZJAZDVPY-IUODEOHRSA-N 258.340 3.856 30 20 CHED C=C(Br)CN[C@@H](CC)Cc1ccccc1 125111359 JGEHRPBVBTTYJI-ZDUSSCGKSA-N 268.198 3.506 30 20 CHED COc1cc(C#N)ccc1COc1ccc(Cl)cc1 260755521 GXDVAVGOKRDVSW-UHFFFAOYSA-N 273.719 3.799 30 20 CHED Cc1ccc(OC[C@H](C)Nc2ccc(C#N)cc2)cc1 40500057 ZFFMRVVLVRBDPI-AWEZNQCLSA-N 266.344 3.746 30 20 CHED CCN(C[C@H](C)C#N)C(=O)Cc1ccc(Cl)c(Cl)c1 58617334 PTUZGFPYHPQMJC-SNVBAGLBSA-N 299.201 3.544 30 20 CHED CCc1sc(C(=O)Nc2ccccc2C#N)cc1C 68233370 GAKYBXZYRMORAF-UHFFFAOYSA-N 270.357 3.743 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 506688560 HZLOAFALNMWDPU-QKPAOTATSA-N 276.424 3.601 30 20 CHED C=CCCCCCCNC(=O)c1ccc(Cl)nc1 310641927 UACFJKMIPMEOQX-UHFFFAOYSA-N 266.772 3.601 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)cc2)c(Cl)cc1F 312447838 WQYUACUGJPUPBY-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCC[C@@H](NCc1cccc(C#N)c1F)C1CCC1 324973954 OWUSAWARVXNOHA-OAHLLOKOSA-N 260.356 3.756 30 20 CHED CCC(CC)(CC)CNCCc1cccc(C#N)c1 467542250 JFHBEIYKFISMPU-UHFFFAOYSA-N 258.409 3.907 30 20 CHED CCCCCCCC(=O)N(Cc1ccccc1)C[C@H](C)O 741296328 QISTXQMRBKUMFH-INIZCTEOSA-N 291.435 3.757 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(OCC#N)cc2)s1 5155884 ZRVZTDCDMRRJGB-CMDGGOBGSA-N 283.352 3.855 30 20 CHED CCOc1cc(C#N)ccc1OCCOc1ccc(C)cc1 11947458 ASEVGRMURSGAQQ-UHFFFAOYSA-N 297.354 3.723 30 20 CHED COc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1 19964048 AZUDYSBJVHPRDD-LBPRGKRZSA-N 252.317 3.740 30 20 CHED C[C@@H](NC(=O)C(C)(C)C#N)c1ccc(Cl)cc1Cl 42091723 RSSRPVMMEIIKHB-MRVPVSSYSA-N 285.174 3.720 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1F 49120028 WOGKHBDXVMWDIN-BBRMVZONSA-N 260.356 3.756 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)c1cccs1 49530758 ZCQJEPRHZJJQMA-CQSZACIVSA-N 274.364 4.000 30 20 CHED C=C(C)CN(CC)C(=O)c1csc(-c2cccs2)n1 55206783 HQIVFNQOULNVOP-UHFFFAOYSA-N 292.429 3.910 30 20 CHED CCCCCCCCNC(=O)c1cccc(C#N)c1 59237663 BFAQFMHPTZUGMW-UHFFFAOYSA-N 258.365 3.649 30 20 CHED C#CCN(C(=O)Cc1ccc(Cl)cc1)C1CCCCC1 65777773 QUGLYSYTMQYZRA-UHFFFAOYSA-N 289.806 3.677 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cccc(OC)c1 73934053 WWQBLDSWRIXJSI-CYBMUJFWSA-N 293.432 3.600 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)cc1)C(C)(C)c1ccccc1 76173404 PVDIYDSYEUMMSK-AWEZNQCLSA-N 292.382 3.654 30 20 CHED C=CCSCCNC(=O)Nc1cc(F)ccc1Cl 76524183 RVGCXOMVKRBOAR-UHFFFAOYSA-N 288.775 3.520 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)CCCCC#N 76733085 OULBQSHTQODULY-ZDUSSCGKSA-N 264.800 3.897 30 20 CHED C=CCCC(=O)Nc1cc(Cl)ccc1OCCOCC 76829139 YVICAYKGTMFOAN-UHFFFAOYSA-N 297.782 3.660 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C2(C#N)CCCC2)C1 78185080 CAFKYPDLPOABIF-JKSUJKDBSA-N 296.414 3.783 30 20 CHED C=CCOCCCC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 79399478 PKYODVVXQWBHBC-SFHVURJKSA-N 287.403 3.545 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC1CCCC1 79508716 RLYIADBVZAISFS-UHFFFAOYSA-N 278.421 3.636 30 20 CHED CCN(CCC#N)Cc1cc(-c2ccc(Cl)cc2)no1 81039196 GTHLVSFDWQXBBB-UHFFFAOYSA-N 289.766 3.731 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)[C@@H]1c1ccccc1 81573321 FFBAOURQHBVIBV-KDOFPFPSSA-N 262.356 3.751 30 20 CHED CC(C)(C#N)CCNc1cccc(OC(F)(F)F)c1 87591101 GREXENPQSDOXBB-UHFFFAOYSA-N 272.270 3.937 30 20 CHED CCOc1ccc(OCC)c(NCC2(CC#N)CC2)c1 88249444 KUARNSDDXHKGDV-UHFFFAOYSA-N 274.364 3.590 30 20 CHED C=CCOc1ccc(OCc2cnc(Cl)s2)cc1 89739025 SHEXMTUHEPWLSV-UHFFFAOYSA-N 281.764 3.940 30 20 CHED CC(C)[C@H](CNc1ccc(C#N)nc1)Nc1ccccc1 91425617 IFOXBLUTYZMIAD-KRWDZBQOSA-N 280.375 3.502 30 20 CHED N#Cc1cccc2c(Cl)c(Br)cnc12 91692977 RSHVZNFXVWFVCP-UHFFFAOYSA-N 267.513 3.522 30 20 CHED CCCC(=CC(=O)NCc1ccc(C#N)cc1)CCC 92265761 JOMDDVAYNQXUHA-UHFFFAOYSA-N 270.376 3.701 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(CCC#N)Cc2ccccn2)o1 93100553 UAKQSGIEDLEWCP-PBHICJAKSA-N 295.386 3.714 30 20 CHED Cc1ccc(N[C@H](C)c2ccc(C#N)cc2)c(C)n1 94664128 CMRSZEHGJUGQFM-GFCCVEGCSA-N 251.333 3.743 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(F)c(F)c2)c1 96399847 PKRSSOUXYQGFTG-VURMDHGXSA-N 274.266 3.870 30 20 CHED C=C(C)CN(CC)CC(=O)c1c(C)[nH]c2ccccc12 98068922 XRTKSKGDCMZQIF-UHFFFAOYSA-N 270.376 3.557 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(CSC)cc1 105034228 MOSCIEJYQSZUAI-UHFFFAOYSA-N 278.421 3.980 30 20 CHED N#CC1(NC(=O)CC2CCC(c3ccccc3)CC2)CCC1 108262345 NQZNYZKIQZVWNI-UHFFFAOYSA-N 296.414 3.913 30 20 CHED N#CCCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 108385817 SMKWBFXVQSGYEW-KRWDZBQOSA-N 267.376 3.999 30 20 CHED Cc1ccc2oc(C(=O)[C@H](C#N)c3ccccn3)cc2c1 108498926 MZSQHBRRMDPHAW-CYBMUJFWSA-N 276.295 3.626 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(O)cc3)c2c1 114992502 QNHOVYWFFGZQNN-RUDMXATFSA-N 293.322 3.778 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)Nc1ccccc1C#N 115972496 VMOIZPLXVIUVNI-AWEZNQCLSA-N 278.355 3.999 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1c(Cl)cccc1Cl 116850963 ADFHSLAZKRBLRQ-SECBINFHSA-N 272.175 3.617 30 20 CHED C=CC[C@@H](C)NCc1ccc(CSC(F)F)o1 116927748 OMZKYAXUBFZJRV-SECBINFHSA-N 261.337 3.790 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1Cl 116933814 ZJUYJZMPKBFKRI-MNOVXSKESA-N 266.772 3.665 30 20 CHED O=C(/C=C/c1cc(O)ccc1Br)c1ccco1 118953953 ZGKYXJXZCXDIEQ-ZZXKWVIFSA-N 293.116 3.644 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccncc1)c1ccccc1 120698349 HMVBEERSXNJZNR-OAHLLOKOSA-N 280.371 3.794 30 20 CHED N#CCOc1cccc(CN[C@@H]2CCCc3ccccc32)c1 124016063 AJNMXQCYYLKZTN-LJQANCHMSA-N 292.382 3.756 30 20 CHED CCCCCCCCNc1ccc(C(=O)O)c(C)n1 124337575 DDJDMVVCINLOCR-UHFFFAOYSA-N 264.369 3.861 30 20 CHED C=C(C)COCCN[C@H](C)c1ccccc1Br 125612136 LKKJOJMEIWPLCD-GFCCVEGCSA-N 298.224 3.692 30 20 CHED CC(C)(C)c1nnc(SCc2cc(F)ccc2C#N)o1 130613218 YBZMNWIULWROGG-UHFFFAOYSA-N 291.351 3.670 30 20 CHED C=C[C@@H](Cc1nc(CC(C)C)no1)c1ccccc1 136392108 ALQDWRLFPFLCBJ-ZDUSSCGKSA-N 256.349 3.780 30 20 CHED COc1cccc([C@@H](C)NCc2cc(C#N)ccc2F)c1 148248928 ZWLXZHFRUWDUPM-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CC1(C)CCC(C(=O)Nc2ccc(F)cc2C#N)CC1 150693363 KQGRTBCWJPHODP-UHFFFAOYSA-N 274.339 3.852 30 20 CHED CCC(CC)(CC)NC(=O)CCc1ccc(C#N)cc1 152646045 GCGZZDAPXXSDIW-UHFFFAOYSA-N 272.392 3.576 30 20 CHED C=CCC(CC=C)C(=O)Nc1cncc(Br)c1 155934276 HODQBHNSNPXJIU-UHFFFAOYSA-N 295.180 3.551 30 20 CHED CC(C)(C)C1CCC(CC(=O)N2CCC(C#N)CC2)CC1 156192359 BGGYOYQDYUMNOJ-UHFFFAOYSA-N 290.451 3.991 30 20 CHED C=CCC(CC=C)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 156923560 IONPTDQGNZOPHT-LJQANCHMSA-N 299.414 3.529 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)cc2C)c(C)o1 165263303 OZNMVODXYJMZCI-ZDUSSCGKSA-N 268.360 3.927 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(C)ccc2F)s1 171279552 LNAZIZHWWSHWSP-UHFFFAOYSA-N 288.347 3.882 30 20 CHED Cc1c(C(=O)NC[C@@H](C)C#N)oc2c1ccc1ccccc12 171838617 IGMPMZWLLGUARX-NSHDSACASA-N 292.338 3.784 30 20 CHED CCN(CCc1cccnc1)[C@H](C)c1ccc(C#N)cc1 172074477 QMKQJSNWOCAMNT-OAHLLOKOSA-N 279.387 3.579 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2ccc(F)cc2C#N)C1 174339868 WSXKAMIKVNGROF-CVEARBPZSA-N 292.423 3.803 30 20 CHED C[C@H](CNC(=O)Nc1cccc(C#N)c1)Cc1cccs1 174441400 IOJCOROHWDXLLL-LBPRGKRZSA-N 299.399 3.620 30 20 CHED CC(C)(C(=O)OCC1(CC#N)CC1)c1cccc(Cl)c1 174730716 YZOQWMSQPCJGJG-UHFFFAOYSA-N 291.778 3.855 30 20 CHED C=CCCCC(=O)N(Cc1cccc(F)c1)C1CC1 175239046 OAGORDREEPLXDA-UHFFFAOYSA-N 261.340 3.673 30 20 CHED CC(C)CCO[C@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175809495 GEOHIIPJYINBAU-UONOGXRCSA-N 289.375 3.614 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1cccc(F)c1 176644312 BLJRDNMLQQOWCD-LRDDRELGSA-N 288.366 3.518 30 20 CHED CC[C@@H](C)N(C)CC#Cc1ccc(C(F)(F)F)cc1 177276546 XFANCXGETYSLII-GFCCVEGCSA-N 269.310 3.787 30 20 CHED C=C(C)CS[C@H](C)C(=O)N(CC)Cc1ccccc1 177864155 FMKHOYPNMCOCNW-CQSZACIVSA-N 277.433 3.733 30 20 CHED Cc1ccc(SCC(=O)Nc2cccc(C#N)c2C)cc1 178385672 OPBALIMLZVKGJH-UHFFFAOYSA-N 296.395 3.906 30 20 CHED N#CCC[C@@H](NC(=O)CCc1cccs1)c1ccccc1 178615511 FTRNCCNZCNBPNQ-MRXNPFEDSA-N 298.411 3.842 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)N(C)CC2 180259178 BGFUTRWYRVIWQS-ZDUSSCGKSA-N 287.407 3.545 30 20 CHED N#CCC[C@@H](N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 181577880 YLWAZXGNPJKKFJ-DZUCGIPZSA-N 254.377 3.810 30 20 CHED C=C(C)CN(C)Cn1nc(-c2sccc2C)oc1=S 182619343 XHTHXWJUUSGNJG-UHFFFAOYSA-N 295.433 3.708 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cncc(C)c1 184352975 NIYIEGTUTHKUFY-HNNXBMFYSA-N 282.387 3.806 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1cccc(C)c1 185244278 YXPMQYGJMHFRMB-KRWDZBQOSA-N 269.388 3.852 30 20 CHED CC[C@@H](CC#N)NCC1CCC(C(F)(F)F)CC1 185576461 MSIBDLDZLOWNSU-MCIGGMRASA-N 262.319 3.637 30 20 CHED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 185829186 VBHRWLAZAPLIEJ-CZUORRHYSA-N 274.383 3.775 30 20 CHED C#CCOc1ccccc1NC(=O)N(CC)C[C@@H](C)CC 188097632 BIDCESGOMQIPFW-AWEZNQCLSA-N 288.391 3.599 30 20 CHED C[C@H](SCCCC#N)[C@@H](C)SCCCC#N 188203854 YHQMNKJEYGYRCI-TXEJJXNPSA-N 256.440 3.837 30 20 CHED C=CCC1(C(=O)Nc2ccc(-n3cccn3)cc2)CCC1 188515412 AGDAIKROPBCWKD-UHFFFAOYSA-N 281.359 3.557 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@H]1C=CCCC1 188724795 ZMSAIUCGAMZDET-CYBMUJFWSA-N 254.333 3.552 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC(F)F)cc1 189797573 IXYYMRHWOOOEFK-AWEZNQCLSA-N 269.291 3.829 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](C)CC 190484523 ORFFRHNCZXKVMP-AWEZNQCLSA-N 270.376 3.509 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC[C@@H]1CCO[C@H]1c1ccccc1 191862138 QQVKOIPDNQSVIE-LMSBXDPUSA-N 273.420 3.955 30 20 CHED C=CCCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 192037944 KRBLEHKEENMQEV-HUUCEWRRSA-N 265.784 3.726 30 20 CHED C=CCC[C@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1ccccc1 192159910 PCJRKLSWZWSPEW-SJORKVTESA-N 299.414 3.769 30 20 CHED C=C(C)[C@H](N[C@H](C)c1ccnn1C)c1ccc(F)c(F)c1 193302567 OGACQYQUZCMARY-BZNIZROVSA-N 291.345 3.666 30 20 CHED COc1cc(OCc2csc(C(C)C)n2)ccc1C#N 194514903 MGDROJFQIUFEQX-UHFFFAOYSA-N 288.372 3.726 30 20 CHED CCC(C)(C)C(=O)Nc1ccc(C#N)cc1Cl 226348318 SEEHLZFOFYXDLG-UHFFFAOYSA-N 250.729 3.586 30 20 CHED N#Cc1ccc(Cc2nc(C3CCCCCC3)no2)cc1 236230137 QXDKZAZTMFOZRD-UHFFFAOYSA-N 281.359 3.970 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(C#N)cc2F)o1 237461626 CDVUQOYMCDWCDN-IAQYHMDHSA-N 284.334 3.704 30 20 CHED C[C@H](NCc1cccc2cc[nH]c12)c1cccc(C#N)c1 237501047 UOZZUSGDHVRWRD-ZDUSSCGKSA-N 275.355 3.890 30 20 CHED C[C@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)c2ccccc21 252592267 NYAHGGFKDQIFJA-IFXJQAMLSA-N 292.382 3.605 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H]2CCC[C@H](N)[C@H]2C1 252838010 ACWZWJGWIBUKKP-ULQDDVLXSA-N 294.483 3.713 30 20 CHED C[C@@H]1Sc2sccc2C(=O)/C1=C\c1cccnc1 254966046 ZYDPTQJDBHFOGW-PPLKPFPSSA-N 273.382 3.904 30 20 CHED COc1cc(C=NOC2CCCC2)cc(Cl)c1OC 255032406 FHXMWOBMTAWGLZ-UHFFFAOYSA-N 283.755 3.650 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cc(F)cc(F)c1 255279451 NZFPSZAQGIQVHD-UPHRSURJSA-N 296.219 3.845 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)O[C@@H](C#N)C(C)C 255416230 KYDJPBOEIASQOU-JOHMGYAOSA-N 277.751 3.835 30 20 CHED CN(C(=O)/C=C\c1ccccc1C#N)c1ccc(F)c(F)c1 255505976 QJNYXYPDXSHPLW-TWGQIWQCSA-N 298.292 3.513 30 20 CHED CC(C)(C)OCc1cccc(CNc2ccc(C#N)nc2)c1 267410518 ROWPTTPSSXBFLV-UHFFFAOYSA-N 295.386 3.880 30 20 CHED C[C@H](C[C@H](O)c1ccccc1)N[C@H](C)c1cccc(C#N)c1 271918475 ZMZJPCZZNFKVGJ-CLCXKQKWSA-N 294.398 3.721 30 20 CHED C=C(C)COc1cccc(N[C@H]2CCN3CCC[C@H]3C2)c1 272894508 OMBBRUSNQNWOIS-IRXDYDNUSA-N 286.419 3.680 30 20 CHED C=C(C)CNC(=O)Nc1c(C)cc(C)cc1Br 275239396 OETNFKUHKYQCSG-UHFFFAOYSA-N 297.196 3.764 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 276162529 RAEBHAIZGFZVPT-UKRRQHHQSA-N 276.767 3.623 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1C(C)(C)C 278193026 GGJCLFRMMAZJNM-UHFFFAOYSA-N 258.365 3.862 30 20 CHED CC(C)(C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)c2ccccc21 278365184 HVJROVPRMXYHBD-AWEZNQCLSA-N 293.370 3.676 30 20 CHED COc1cc(C)ccc1-c1noc(C2(C#N)CCCCC2)n1 278620058 HGKYSLWYXNVJGP-UHFFFAOYSA-N 297.358 3.779 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1cccc(OCC#N)c1 279560122 BGJQIVFRIBRPOE-INIZCTEOSA-N 274.364 3.744 30 20 CHED Cc1cc(C)c2c(c1)N(C(=O)c1cc(C#N)oc1C)CCC2 280570014 GNWLVJJYJDBMJI-UHFFFAOYSA-N 294.354 3.670 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2ccccc2Cl)no1 284930545 CDUPTHJJLYTLPH-AWEZNQCLSA-N 275.739 3.505 30 20 CHED C=CCC[C@H](N[C@@H](CCO)c1ccco1)c1ccco1 285494533 ANZLMDOXXUHDBH-KBPBESRZSA-N 275.348 3.593 30 20 CHED CCCCCCCC(=O)Nc1ncc(COC)s1 287082579 UHECZXIFYXKOPE-UHFFFAOYSA-N 270.398 3.589 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(C(F)(F)F)cc2)no1 288940712 JKHBZCILQJQDRP-ZDUSSCGKSA-N 295.264 3.947 30 20 CHED N#CCCCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 291771335 LSKBWSUMUVPLBN-KRWDZBQOSA-N 282.387 3.749 30 20 CHED C=CCN(CCC#N)[C@H](C)c1ncc(-c2ccccc2)o1 292252761 QZVKLYKGVWJHMJ-CQSZACIVSA-N 281.359 3.804 30 20 CHED N#CCCCCN1C[C@H]2CCCCN2c2ccccc21 293090444 PMDREMRQCCPFFN-OAHLLOKOSA-N 269.392 3.559 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc3cnccc3c2)C1 296585493 PYOHLUGPVVFCOM-SWLSCSKDSA-N 251.333 3.729 30 20 CHED C=CCC[C@@H](Nc1cnn(C2CCOCC2)c1C)C1CC1 296633429 BMOXYOMYKUOMIL-MRXNPFEDSA-N 289.423 3.700 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1OCCF 297522240 WFYCEJAGGYVHMF-LBPRGKRZSA-N 280.343 3.511 30 20 CHED CCSCC[C@H](C)N(C)c1ccc(Cl)c(C#N)n1 301601657 VQDAJMOJSWJJKF-JTQLQIEISA-N 283.828 3.575 30 20 CHED C=CCN(CC=C)Cc1ccc(Br)s1 302734750 FIYSRZASNPBPLE-UHFFFAOYSA-N 272.211 3.685 30 20 CHED CC(C)C1(C)CCN(c2c(C#N)cccc2C#N)CC1 302884556 LTSNILGFBDEGKI-UHFFFAOYSA-N 267.376 3.692 30 20 CHED C=C(CC)CNC(=O)c1cccc(C(F)(F)F)c1F 313542150 URIIQZNNAZMYMS-UHFFFAOYSA-N 275.245 3.541 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@@H]1CCC(C)(C)C1 329051572 WOBJZVRKUDOWMA-LLVKDONJSA-N 293.436 3.909 30 20 CHED C[C@H](/N=C(/O)C1CCSCC1)c1nc(C(C)(C)C)no1 329772282 KMJROVHAPMAFOI-VIFPVBQESA-N 297.424 3.528 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cc(C(C)C)oc2C)n1 330607155 JLXVKZJWMHMKFM-LBPRGKRZSA-N 288.372 3.966 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 333081608 MDLLWXRSDHUMBJ-RVKKMQEKSA-N 288.435 3.793 30 20 CHED CCc1ccc(NC(=O)N2CCC(C#N)CC2)cc1Cl 334229621 ILTMFEUWBVPACR-UHFFFAOYSA-N 291.782 3.670 30 20 CHED CCN(CCC1(OC)CCC1)[C@H](C)c1ccc(C#N)cc1 338927127 UNKDTMIGQOXTFX-OAHLLOKOSA-N 286.419 3.900 30 20 CHED CC[C@@H](C)n1ncc(Nc2snc(C)c2C#N)c1C 340861799 UVMLEAIRCXLTLY-MRVPVSSYSA-N 275.381 3.543 30 20 CHED N#Cc1ccncc1NC[C@@H]1CCCC[C@H]1C(F)(F)F 340934344 MNCSDXPQXOPSBG-NWDGAFQWSA-N 283.297 3.734 30 20 CHED CC(C)(C#N)CCSCC(=O)Nc1cc(F)cc(F)c1 341998479 FSRQXEMLPPQVHC-UHFFFAOYSA-N 298.358 3.576 30 20 CHED CCC(C)(C)CC(=O)Nc1cc(C#N)cn1C(C)(C)C 342404187 WJNDEAVZFZHWKK-UHFFFAOYSA-N 275.396 3.880 30 20 CHED C=CCCN(C)Cc1cccc(CN(C)CCC=C)c1 342731799 BVMRBFRQHGUTOQ-UHFFFAOYSA-N 272.436 3.702 30 20 CHED Cc1ccc([C@@H]2CCN(c3nc(C)ccc3C#N)C2)c(C)c1 343078322 DXVXKAAJFWDYEQ-QGZVFWFLSA-N 291.398 3.872 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2CSc3ccccc32)c1 344514632 PBAWSSSCHQHUKW-CQSZACIVSA-N 295.367 3.527 30 20 CHED N#CCCCNC(=O)Nc1ccc(Oc2ccccc2)cc1 344910234 FVSNTUDFTOVFOU-UHFFFAOYSA-N 295.342 3.904 30 20 CHED Cc1ccc(C)c(C(=O)Nc2scc(C)c2C#N)c1 344929878 PRHTVDOLECOQCI-UHFFFAOYSA-N 270.357 3.797 30 20 CHED C=CC[C@@H]1N(Cc2cncc(F)c2)CCCC1(C)C 347132585 PURHTDQIQIMFEC-HNNXBMFYSA-N 262.372 3.787 30 20 CHED COC(=O)[C@@H](Sc1cccc(C#N)c1)c1ccsc1 347783213 ZIVLAAUPZDZKDN-ZDUSSCGKSA-N 289.381 3.626 30 20 CHED C=CCn1c(C)nnc1N(C)[C@@H](C)c1cc(C)ccc1C 350623198 LTQSKULPVSBHNP-AWEZNQCLSA-N 284.407 3.587 30 20 CHED C=CCCSc1n[nH]c(/C=C\c2ccc(C)o2)n1 351560673 RYZXAEPWLLUSRS-FPLPWBNLSA-N 261.350 3.545 30 20 CHED C=C(C)CCc1noc(C[C@H](OCC)C2=CCCC2)n1 351599024 AEKCLNAUCZEMQW-AWEZNQCLSA-N 276.380 3.636 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 353549551 OQZYIEABIFENMD-NSHDSACASA-N 283.306 3.580 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 353629514 WJAKAKZBJCLXCT-KGLIPLIRSA-N 287.407 3.611 30 20 CHED N#Cc1csc(CN2CC[C@@H](c3ccccc3F)C2)c1 353635289 ZKAVWAPUBKUCTQ-CYBMUJFWSA-N 286.375 3.748 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCC2CCC2)c1 355334366 MFJXOXDXRQNUER-UHFFFAOYSA-N 254.255 3.789 30 20 CHED C=CCC1(C(=O)NCCCCN2CCCC[C@H]2C)CCC1 358498123 POZSKKITYMWCQB-MRXNPFEDSA-N 292.467 3.504 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H](CC)c1ccc(C)cc1 359407445 YPZJOUPOZXDGSH-INIZCTEOSA-N 284.403 3.807 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N(C)CC(C)(C)C#N 359741938 BEUQPJIVFLBKLG-JTQLQIEISA-N 252.308 3.507 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1ccc(C#N)c(F)c1 362283796 DDFMRHVDJWKEFR-UHFFFAOYSA-N 286.306 3.975 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCCc3occc3C2)cc1 377869404 OWVRFHMHKBAUDK-AWEZNQCLSA-N 296.370 3.519 30 20 CHED C[C@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1Cl 383626021 AJKFSLGOCRCPNO-GFCCVEGCSA-N 285.778 3.800 30 20 CHED C=CC[C@H](CC)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 393755546 HOCNOVJYNQLJMC-SOUVJXGZSA-N 296.455 3.767 30 20 CHED C[C@H](CNc1ccc(F)cc1C#N)CC(F)(F)F 396976811 SCAGMBIQBBZOPI-QMMMGPOBSA-N 260.234 3.698 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)c1csnn1 398223499 DENNAMZQUQALOT-NWDGAFQWSA-N 255.431 3.938 30 20 CHED N#Cc1csc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 408414174 JOIPEBCCHGSHOC-BFHYXJOUSA-N 288.416 3.708 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N1CC2(CCCC2)c2cccc(F)c21 410768026 OPSPBNSIXIVNHF-KZULUSFZSA-N 298.361 3.534 30 20 CHED CN(CCCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 411998289 MPEONRYUTQPPBM-DLBZAZTESA-N 256.393 3.948 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412312736 HZFPCVPDAPOSMX-INMHGKMJSA-N 257.377 3.651 30 20 CHED CSc1ccc(C)c(NC(=O)NCC2(C#N)CCC2)c1 416963032 AQROXBKZBRTXRU-UHFFFAOYSA-N 289.404 3.532 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)NCC1(C#N)CCC1 419642044 KAVVULPYRBKGJY-INIZCTEOSA-N 297.402 3.535 30 20 CHED N#CCCN(Cc1cccnc1)Cc1cccc(C2CC2)c1 421330452 QUZRIKPBJMRDFB-UHFFFAOYSA-N 291.398 3.875 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)c1cccc(SC)c1 424650246 YOCCQZODRCXCJP-UHFFFAOYSA-N 263.406 3.974 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@]2(CCc3ccccc3O2)C1 424832698 SCNISOPEOBPKBQ-LJQANCHMSA-N 299.414 3.585 30 20 CHED CCCC1(CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 426153863 PQPQDZRXTXUTRB-UHFFFAOYSA-N 291.782 3.913 30 20 CHED C=CCc1cc(CN2CC[C@H]3CCC[C@H]32)cc(OC)c1O 428455534 SPQQYWHLXSLDAB-GDBMZVCRSA-N 287.403 3.504 30 20 CHED N#CCC1(CNCc2ccc3ccccc3c2)CC1 430005436 MZKLXZFRXYOUQI-UHFFFAOYSA-N 250.345 3.623 30 20 CHED C=CCCC(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 432331481 NILGBKIMDOJPNB-QGZVFWFLSA-N 299.414 3.997 30 20 CHED CC1(C)CCC[C@@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C1 434013872 DEFJWHMWAZDNTA-ZIAGYGMSSA-N 276.424 3.744 30 20 CHED CC(=O)c1ccccc1OCCOc1ccc(C#N)c(C)c1 434650598 OPHAUGFUIDONLS-UHFFFAOYSA-N 295.338 3.527 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 435025783 FVVXRUNGGMSXRC-GOEBONIOSA-N 296.414 3.532 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc2ccccc2s1 435743644 SZOQNVOXEZYDNV-YOEHRIQHSA-N 287.428 3.972 30 20 CHED CC(C)C(C)(C)C(=O)N[C@H](C#N)c1ccccc1Cl 438937644 RBDXLYSTUFZNNG-CYBMUJFWSA-N 278.783 3.703 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](c2ccc(F)cc2)C(F)(F)F)C1 442871301 LJVLIKKPDZXZLX-JIMOISOXSA-N 286.272 3.711 30 20 CHED COc1cc(CN2C[C@H](C)CCC[C@@H]2C)ccc1C#N 442884348 KCTLBUWSARRVDQ-KGLIPLIRSA-N 272.392 3.577 30 20 CHED Cc1cc(CNc2cc(CN(C)C)ccc2C)ccc1C#N 444003846 KGGOUDIGQLKUSI-UHFFFAOYSA-N 293.414 3.849 30 20 CHED C=CC[C@@H]1N(C[C@H]2CC[C@H](C)O2)CCCC1(C)C 444784186 MXXPSJISSQOWQT-ZNMIVQPWSA-N 251.414 3.621 30 20 CHED C=CC[C@@H]1N(Cc2csc(COC)n2)CCCC1(C)C 444788320 UIFHHHIVJVOQOZ-AWEZNQCLSA-N 294.464 3.856 30 20 CHED CCO[C@@H]1C[C@H](N[C@H](CC)c2ccc(C#N)cc2)C12CCC2 447540323 CITUNQQNVIZCRL-FGTMMUONSA-N 298.430 3.947 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 448629742 XPZNTSGAHJCXPY-KRWDZBQOSA-N 295.386 3.712 30 20 CHED N#CC1(CNC2(c3ccc(Cl)cc3)CC2)CCC1 450688147 XYEJPPFXIKNJQN-UHFFFAOYSA-N 260.768 3.613 30 20 CHED C=CC(C)(C)CNC(=O)c1cccc(-c2ccccn2)c1C 452771777 BHPUOFXXHSBVSZ-UHFFFAOYSA-N 294.398 3.999 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H](C)c1ccc(OC)cc1 452774319 KYESGSMEWQCHEW-CYBMUJFWSA-N 275.392 3.517 30 20 CHED CCSc1ccc(-c2noc([C@]3(C#N)C[C@H]3C)n2)cc1 453168044 BSGQLOFOQIVWHC-BMIGLBTASA-N 285.372 3.650 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CCSc2ccc(F)cc21 454190812 HRTLXHHOBAQGIN-CYBMUJFWSA-N 294.395 3.628 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ccccc1SC 454915898 PLQCYXYEZGZISU-LBPRGKRZSA-N 278.421 3.735 30 20 CHED C=C(C)CCNC(=O)N(C)CCCCc1ccccc1 455315740 UTFCWMRNBFSLNL-UHFFFAOYSA-N 274.408 3.617 30 20 CHED N#CCC(=O)N(CCCCc1ccccc1)c1ccccc1 458294975 QASQOFVULYUSGA-UHFFFAOYSA-N 292.382 3.956 30 20 CHED CC(C)(CC#N)CNC(=O)NCc1ccc(C2CCC2)cc1 458707465 FQIKJFDYGKPERH-UHFFFAOYSA-N 299.418 3.693 30 20 CHED N#CCCN(Cc1ccc(C2CC2)cc1)Cc1cccnc1 459309688 ZDYPEFIECFUAMG-UHFFFAOYSA-N 291.398 3.875 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@H]1C#N)[C@H](C)C1CCCCC1 461960302 VBMFZGZAQXEUPV-DARAHFNDSA-N 291.439 3.583 30 20 CHED C[C@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C)c1cccc(C#N)c1 462334407 JSLCEEXMDGXBRC-LLDVTBCESA-N 298.430 3.850 30 20 CHED N#Cc1cc(F)c(N[C@@H]2C[C@H]2Cc2ccccc2)c(F)c1 462875679 SVEYTCPJINWSMC-CZUORRHYSA-N 284.309 3.880 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 464748776 AOCLJGWQMRMRPO-LRDDRELGSA-N 290.382 3.931 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(SC)cc1 466391315 YNNDJOXPIDMLOI-LLVKDONJSA-N 264.394 3.885 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCCCC2(C)C)CC1 466525339 AQTMCYZLJNVAMQ-AWEZNQCLSA-N 264.413 3.563 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nnc(CCCCC)s1 467850169 JBCCAWFWPBZNJW-CQSZACIVSA-N 281.425 3.812 30 20 CHED CCCC1(C(=O)N[C@H](C)c2ccc(C#N)cc2)CCC1 469103843 URDFCYGCFNUPMT-CYBMUJFWSA-N 270.376 3.706 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 472532710 KAASDUXANXLQCI-BJJXKVORSA-N 290.382 3.726 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 474033159 KYMRLRJRADOWKB-MRXNPFEDSA-N 299.418 3.526 30 20 CHED C=CC[C@H](C)NC(=O)NCc1cccc(C(C)C)c1 477091567 RVXGXULTBUQKOI-ZDUSSCGKSA-N 260.381 3.574 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cccc([N+](=O)[O-])c1C 477747495 QEFZIOGDQDWCLW-AAEUAGOBSA-N 262.353 3.594 30 20 CHED C=CCOCCCOc1ccc(OC)c2ccccc12 478782731 OGGBQOYAFZAPJT-UHFFFAOYSA-N 272.344 3.820 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](Oc1ccccc1)c1ccccc1 479319878 UQIXIDMYPNEFNB-SFHVURJKSA-N 295.382 3.841 30 20 CHED C=C1CCN(Cc2cc3c(C)cc(C)cc3[nH]2)CC1 482014542 GYXQAIUXIXGDCW-UHFFFAOYSA-N 254.377 3.937 30 20 CHED C=CCCCCCS[C@@H](Cc1ccccc1)C(N)=O 485599869 JXXDIRILLVFCSM-HNNXBMFYSA-N 277.433 3.563 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)[C@H](C)CC#N 488730536 IAOMWXZFJMNEEE-RBSFLKMASA-N 284.403 3.737 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H](C)C(C)(C)C 490196541 IRMRVVNWFSYDNH-CQSZACIVSA-N 277.408 3.909 30 20 CHED C=CCCCCNc1ccc(C)c(N2CCOC2=O)c1 495879842 WMDHSNYYZUUKGN-UHFFFAOYSA-N 274.364 3.720 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 497196651 BDPYPQDSBUTIMH-QLFBSQMISA-N 276.424 3.601 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2c(c1)CCCC2=O 497938308 OLKFYMHTMCZVGX-ZDUSSCGKSA-N 285.387 3.680 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 502972219 VDSBNBRWZJIXKD-JYAVWHMHSA-N 270.376 3.878 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccccc1OC1CC1 503948834 WYZQZWIHPWJQON-CYBMUJFWSA-N 273.376 3.702 30 20 CHED C=C(C)CCc1noc(CCc2cn(C)c3ccccc23)n1 508594540 KCOCIUUJQQVOHG-UHFFFAOYSA-N 295.386 3.855 30 20 CHED C=CCN(CCOCCC(C)C)Cc1ccccc1F 515772503 KUAFKQVLTCJWJA-UHFFFAOYSA-N 279.399 3.876 30 20 CHED C=CC[C@H](CC)NC[C@H](O)COc1cccc2ccccc12 516277779 HUTNGPAMEGLLNH-IRXDYDNUSA-N 299.414 3.524 30 20 CHED C[C@H](C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 525630413 QCPITVDOWBKWDO-NSHDSACASA-N 284.746 3.954 30 20 CHED C=CCOc1cccc(CN[C@@H](CC)C2CCOCC2)c1 530567327 SFKXRZKZJRVHFZ-SFHVURJKSA-N 289.419 3.546 30 20 CHED C[C@@H](NC(=O)N(C1CCCC1)C1CC1)c1ccc(C#N)cc1 531085460 PCLOTBXNTFXDIH-CYBMUJFWSA-N 297.402 3.736 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)C[C@H]1CC)c1ccccc1 536202877 FIZQDSNLZGKBHG-BFYDXBDKSA-N 271.404 3.993 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)N1CCC(CC#N)CC1 540996213 ZYMHLECVOHUGPG-HUUCEWRRSA-N 299.418 3.514 30 20 CHED CCOC(=O)[C@@H](CC(C)C)Sc1ccc(C#N)cc1F 542004569 MDXXMLWNPPCRKS-CQSZACIVSA-N 295.379 3.767 30 20 CHED CC(C)CCN(CCC#N)[C@@H](C)Cc1ccsc1 544006642 VDATXWBKAHVRQX-AWEZNQCLSA-N 264.438 3.941 30 20 CHED N#Cc1cc(C(=O)Nc2cc(Cl)ccn2)ccc1Cl 544628520 GXWUZMNWASFTAI-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCCOc1ccccc1NC(=O)c1ccc(F)c(C#N)c1 548085556 RDQYRZFAQAXUPA-UHFFFAOYSA-N 298.317 3.738 30 20 CHED Cc1cc(CNCC[C@H]2C[C@H](C)O[C@H](C)C2)ccc1C#N 548990763 XIFOCVABBOVTAS-MUJYYYPQSA-N 286.419 3.550 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 552586077 VYJSSRJFVXJTJM-YQVWRLOYSA-N 292.382 3.752 30 20 CHED C=CCN(C(=O)NCCc1ccc2ccccc2c1)C1CC1 552832330 BRXVUJDHNCCUSW-UHFFFAOYSA-N 294.398 3.742 30 20 CHED C=CCC[C@H](NCCCCn1ccnc1)c1ccco1 556858998 QVMPVFGAJVCRNS-HNNXBMFYSA-N 273.380 3.553 30 20 CHED CC[C@@](C)(C#N)C(=O)NC[C@@H](Cc1ccccc1)C(C)C 557011429 ALDFSWIAZQCHJN-AEFFLSMTSA-N 286.419 3.557 30 20 CHED Cc1ccc([C@@H]2CCN(c3nccc(C#N)c3Cl)C2)cc1 557634108 SRZOGUJXJIUIOT-OAHLLOKOSA-N 297.789 3.909 30 20 CHED Cc1cc(=N[C@H]2CC(C)(C)c3ccccc32)cc(C#N)[nH]1 557640856 VDDFCKKXTVNJKA-KRWDZBQOSA-N 277.371 3.518 30 20 CHED N#Cc1cccc(NC(=O)c2ccc3c(c2)CCC=C3)c1 560121851 ZEJKRXQZTPSKNR-UHFFFAOYSA-N 274.323 3.770 30 20 CHED Cc1cccc([C@@H]2CCN(c3nccc(C#N)c3Cl)C2)c1 561265469 CCODWFWULMWGBQ-OAHLLOKOSA-N 297.789 3.909 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C#N)cn2)o1 562442402 RIVPIMBYXSXQBO-SUMWQHHRSA-N 295.386 3.828 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C)c(C(C)=O)c2)CC1 568186698 JAQXSJQIDDHEQH-UHFFFAOYSA-N 286.375 3.628 30 20 CHED CC#CCCCc1nc(-c2ccc(NC(C)(C)C)cn2)no1 579772627 HEKIFMQRIYUVPD-UHFFFAOYSA-N 298.390 3.688 30 20 CHED CC(C)CSCCCOc1cc(F)cc(C#N)c1 579882017 NEMIJSQDOHATPH-UHFFFAOYSA-N 267.369 3.855 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(N2CCCC2)cn1 582683829 LUEFCHOKCMPDRU-ZIAGYGMSSA-N 259.397 3.694 30 20 CHED CCc1ccc(CCN2CCC(CCC#N)CC2)cc1 583378931 VSTADVRSGSGOEM-UHFFFAOYSA-N 270.420 3.807 30 20 CHED N#CC1(CN[C@@H]2CCC[C@H]2CCc2ccccc2)CC1 584566547 ZSKOZMSGRIMAPX-DLBZAZTESA-N 268.404 3.681 30 20 CHED COc1ccsc1C(=O)/C=C\c1cc(F)cc(F)c1 588489031 JVMXVEXVYGGACG-IHWYPQMZSA-N 280.295 3.931 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)CCCCCC#N)C1 588628545 QBZKKHKOIUBRCD-INIZCTEOSA-N 264.413 3.889 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)[C@]1(C#N)CC13CCCC3)CC2 590632136 JRFNUXONFPWUEL-VQIMIIECSA-N 294.398 3.573 30 20 CHED CC1(C#N)CCC(NCc2ccc(C#N)c(Cl)c2)CC1 590653578 RHZFONNPYAPZQP-UHFFFAOYSA-N 287.794 3.774 30 20 CHED N#CCc1cccc(NC(=O)NCCCc2cccs2)c1 590854579 ZNIJRSZIXNMNFO-UHFFFAOYSA-N 299.399 3.568 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1Cl 591531412 IOTLNXVZLOYSDQ-GTNSWQLSSA-N 297.789 3.945 30 20 CHED CCC[C@@H](C#N)NC(=O)C1(c2ccccc2Cl)CCC1 593107373 IDGKBDURUOKWDK-LBPRGKRZSA-N 290.794 3.570 30 20 CHED CCCC[C@H](CC)CC(=O)N(C)c1ccc(C#N)nc1 593273587 NMBLZASCGHZORV-ZDUSSCGKSA-N 273.380 3.523 30 20 CHED CC[C@@H](C#N)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 593401185 ZSTIMXFCRSOIMO-MNOVXSKESA-N 298.308 3.775 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 593618358 IXDZSPHRGSCRCH-VDHUWJSZSA-N 296.414 3.721 30 20 CHED CC[C@H](C)CCNC1CCN(c2ccc(C#N)cc2)CC1 594966283 FKUYTPSFUNCJNE-HNNXBMFYSA-N 285.435 3.553 30 20 CHED CCN(Cc1ccc(Cl)cc1Cl)[C@H](C)C#N 595812863 OSCXZGDKZYWQMO-SECBINFHSA-N 257.164 3.727 30 20 CHED CC1(C)CN(Cc2cc(C#N)ccc2F)[C@@H]1c1ccncc1 596594856 WPPIMNBHWIUJJY-QGZVFWFLSA-N 295.361 3.675 30 20 CHED C[C@H](CCN1CCC[C@H](CC#N)C1)c1ccccc1 597176136 FSMLBKQLTQUECD-HZPDHXFCSA-N 256.393 3.806 30 20 CHED Cc1cccc2cc(C(=O)N3CCC[C@@H](CC#N)C3)sc12 597901439 VYMRXEGJLUFKCG-ZDUSSCGKSA-N 298.411 3.976 30 20 CHED CCCC[C@@H](CC)CC(=O)N1CCC[C@H](CC#N)C1 597909628 OMSBJWANFUAADV-HUUCEWRRSA-N 264.413 3.745 30 20 CHED CCC1(CC)CCCN(C(=O)c2cccc(C#N)c2)C1 598214682 DBYGOUGJSNCIKW-UHFFFAOYSA-N 270.376 3.601 30 20 CHED N#CCN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccccc1 598808969 UAKAFJNRAYTLDR-HZPDHXFCSA-N 282.387 3.760 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H](c1ccccc1)C(C)C 599054535 BETVFUKNDDAWFF-MRXNPFEDSA-N 286.419 3.872 30 20 CHED N#Cc1ccc(N2CCC[C@@H](c3ccc(F)c(F)c3)C2)nc1 599119851 VRXJBBMNRDFSDL-CQSZACIVSA-N 299.324 3.615 30 20 CHED N#CCCN(Cc1csc(C(F)(F)F)c1)CC1CC1 600117311 LPPYHFJJXIVZNL-UHFFFAOYSA-N 288.338 3.893 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@@H](C)C1CC1 601894192 SXSYWYJWTHRTNG-CQSZACIVSA-N 278.440 3.810 30 20 CHED CCN(CCCCC(C)(C)C#N)[C@@H](C)C(F)(F)F 602990531 XMARJVSAAABISP-NSHDSACASA-N 264.335 3.979 30 20 CHED CC(C)SCC(=O)Nc1sc2c(c1C#N)CCCC2 603514331 UUDOGWCPUVUARF-UHFFFAOYSA-N 294.445 3.579 30 20 CHED CCCCOc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 608822430 DMCJTSNWDPODSP-OAHLLOKOSA-N 288.391 3.534 30 20 CHED CCCCc1oc2ccccc2c1CN(C)C(=O)[C@@H](C)C#N 609920427 LNRLJSFWDXWNRK-ZDUSSCGKSA-N 298.386 3.893 30 20 CHED N#Cc1ccc(F)c(CN2C3CCCC2CCC3)c1 610370162 ZNGAZIBERNYDLZ-UHFFFAOYSA-N 258.340 3.604 30 20 CHED CCCCc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 610659707 PNOYONNYXKHZSC-HNNXBMFYSA-N 272.392 3.697 30 20 CHED COc1cc2ccccc2cc1C(=O)N[C@H](C#N)C(C)(C)C 610668444 IUTKYQLBJKUVDR-MRXNPFEDSA-N 296.370 3.516 30 20 CHED CC(C)CC1(CNC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 610684516 KOSYXSHBPLCCGS-CQSZACIVSA-N 299.418 3.745 30 20 CHED Cc1ccncc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 611327083 HNTHBBCIWFYYQA-KBPBESRZSA-N 265.360 3.674 30 20 CHED C[C@@]1(C#N)CCCN([C@H]2CCCc3ccc(F)cc32)C1 612167078 UMVHNGVQBHKQEA-IRXDYDNUSA-N 272.367 3.829 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(C2CCC2)cc1 616314297 PVQKCDBULRXWNN-MRXNPFEDSA-N 270.376 3.622 30 20 CHED C=CCCNC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 617617756 SGSGAYNBVDZLIQ-UHFFFAOYSA-N 287.403 3.676 30 20 CHED C=CCC1(NC(=O)c2ccc(C(C)C)cc2)CCOCC1 618244714 OVRDQJFMDKAKNV-UHFFFAOYSA-N 287.403 3.665 30 20 CHED CC[C@@H]1CCC[C@H]1NCc1ccc(C#N)c(Cl)c1 619755493 ZADAEZLHZMXFHE-IUODEOHRSA-N 262.784 3.880 30 20 CHED C=CC[C@H](C)NCc1nc2cc(Br)ccc2o1 638609392 KZGSTAJAMGQGKQ-VIFPVBQESA-N 295.180 3.645 30 20 CHED C=C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 651263885 RJASPTYOHJMVES-LBPRGKRZSA-N 263.768 3.622 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)c(C)c1)C1CC1 654298282 JOLXUYUSSFWSSI-UHFFFAOYSA-N 264.756 3.831 30 20 CHED C=CCC1(NCc2cc(OC)c(OC)cc2F)CCCC1 657702946 RFIRHKXVBMKLFG-UHFFFAOYSA-N 293.382 3.821 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1c(C)nn(CC)c1C 657869460 WUXCLIDXLODULK-WBVHZDCISA-N 275.440 3.744 30 20 CHED C=CCN(CCC(=O)Nc1ccccc1Cl)C(C)(C)C 661754737 CODJTAYCNVMXRL-UHFFFAOYSA-N 294.826 3.955 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(OCC)cc2)C1 665123593 JQERLNUHLIQMMP-CQSZACIVSA-N 288.391 3.905 30 20 CHED C=CCC1(NC(=O)Nc2ccc(C)c(C)c2)CCOCC1 665123993 WGAVSAFTOYRURW-UHFFFAOYSA-N 288.391 3.550 30 20 CHED C=CCCNC(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 665941293 WVLOYUPSGAATGY-QGZVFWFLSA-N 290.382 3.508 30 20 CHED CCC#C[C@H](C)N1CCCn2c(cc3ccccc32)C1 672579258 RJOFHDRTEQGSIN-HNNXBMFYSA-N 266.388 3.649 30 20 CHED C=C[C@H](C)NC(=O)c1oc2ccc(CCC(C)=O)cc2c1C 674956950 OPQXUQHRWBPUGZ-NSHDSACASA-N 299.370 3.567 30 20 CHED C=C[C@H]1CCCCN1C(=O)COc1cc(C)ccc1Cl 683788479 OYZSDJRFDQKCGE-ZDUSSCGKSA-N 293.794 3.594 30 20 CHED C#CCN(C(=O)Cc1cccc(Cl)c1)C1CCCCC1 688831570 UOWBHXGGONLNPM-UHFFFAOYSA-N 289.806 3.677 30 20 CHED C=C(Br)CN1CCC[C@@H]1C1CCCCC1 688839384 ZEQANRXTWMWIFW-CYBMUJFWSA-N 272.230 3.940 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(N(C)C)cc1 696034424 OMOOVYBCLUGWIG-CQSZACIVSA-N 278.465 3.713 30 20 CHED C#Cc1ccc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)cn1 728818782 UKGUSLPHIXIZIX-UHFFFAOYSA-N 292.382 3.637 30 20 CHED C[C@H]1CCCC1=NNc1ncnc2c1oc1ccccc12 729143858 TUOFDBOCAQYESY-JTQLQIEISA-N 280.331 3.964 30 20 CHED Fc1cc(F)cc(NN=Cc2ccnc3ccccc23)c1 731313987 UAJYHEZWTWITHV-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C#CCOc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1 733325052 UKOZMNAIMRXWEX-KSSFIOAISA-N 295.382 3.705 30 20 CHED C=CCOc1ccc(C(=O)NC[C@H](C)C(C)(C)C)cc1 734336701 NWFQFLQJLWXHIJ-ZDUSSCGKSA-N 275.392 3.663 30 20 CHED C=CCCCOC(=O)/C=C\c1nc2ccccc2s1 735527842 KDUKHYXVEUXPPE-KTKRTIGZSA-N 273.357 3.819 30 20 CHED CC(=NNc1cccnn1)c1ccc(CC(C)C)cc1 735973500 MFOLNOBGVTWUGI-UHFFFAOYSA-N 268.364 3.511 30 20 CHED CC(C)C[C@@H](C/N=C/c1c(O)ccc2ccccc12)C(=O)O 736403811 KOKVTRMWCYPYOB-YRIIZNAFSA-N 299.370 3.711 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(OCCCC)c1 736967941 BSNVAERFEDDJFQ-UHFFFAOYSA-N 282.771 3.740 30 20 CHED C#CCN(CC#CC)C(=O)c1cc2c(s1)CCCCCC2 742002971 FGEPUOAGZOZLNY-UHFFFAOYSA-N 299.439 3.506 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)Nc1ccccc1C 743057750 CRGFGVQGJNWMRC-UHFFFAOYSA-N 298.317 3.790 30 20 CHED CCOc1ccc(O)c(CN[C@H](C)c2cccc(C#N)c2)c1 743496597 QZGYAOJOERMSLN-CYBMUJFWSA-N 296.370 3.513 30 20 CHED COc1cc2c(cc1NCCC#N)oc1ccccc12 746504770 RMCROVPQQIBXFG-UHFFFAOYSA-N 266.300 3.920 30 20 CHED N#CCC[C@H](/N=C/c1cccc(O)c1O)c1ccccc1 747690618 PESKXFMQLXNHGG-UZUMKDMXSA-N 280.327 3.562 30 20 CHED N#Cc1ccc(F)c(CNC/C=C/c2ccc(F)cc2)c1 747912139 UKFAOPFARMOENE-OWOJBTEDSA-N 284.309 3.639 30 20 CHED CCCCCCCC(=O)NCc1ccc2c(c1)CCO2 751221599 KHICEXGKPIALLV-UHFFFAOYSA-N 275.392 3.598 30 20 CHED COc1cccc(CC(=NOCC(F)(F)F)C2CC2)c1 752734611 JGPCEOZFVAIJHU-UHFFFAOYSA-N 287.281 3.583 30 20 CHED CCCCCCCCNC(=O)N1CCSC[C@@H](C)C1 753178279 MYNDJRTYJUCZFH-AWEZNQCLSA-N 286.485 3.741 30 20 CHED CC(/C=C/C(=O)c1cc(O)cc(O)c1)=C\c1ccccc1 753715372 CJIAVMNCEHDXQU-NJHPPEEMSA-N 280.323 3.940 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1cc2ccccc2s1 754801675 WDBNIXFBTDBDBL-GFCCVEGCSA-N 290.384 3.926 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(CC)C[C@H](C)C#N)cc1 755186686 YATHAXDRYIZHKV-ZIAGYGMSSA-N 272.392 3.822 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1cc(Cl)ccc1O 755599307 PNWWHLJJOLQUPR-DAFODLJHSA-N 292.693 3.786 30 20 CHED Clc1ccc(C=NO[C@@H]2CCCCO2)cc1Cl 755821796 IGACHNHOAILLTR-GFCCVEGCSA-N 274.147 3.871 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cccc(C)c1C)OCC 756488859 WRIUHRYMWLFEOV-HNNXBMFYSA-N 262.349 3.580 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1C 756825974 RBWMGYCDEUDTAN-UHFFFAOYSA-N 294.314 3.611 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1C)c1ccccc1 757059336 QMADLWSYCZGFES-INMHGKMJSA-N 284.403 3.581 30 20 CHED CCC1(C(=O)OCc2ccc(C#N)cc2F)CCCC1 757128199 WLVGOYQCPQFVJS-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C#CCCCC(=O)N(CC)c1cccc(Br)c1 757979026 IIZIBNOKFBYFMZ-UHFFFAOYSA-N 294.192 3.606 30 20 CHED COc1ccc2oc(C(C)=NOCC(F)F)c(C)c2c1 758906647 JYZQWEXZKHSHFL-UHFFFAOYSA-N 283.274 3.756 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc2c(c1)CCO2 759665904 RTOQBDPOXBFMPS-UHFFFAOYSA-N 284.334 3.905 30 20 CHED C=CCNC(=S)Nc1cc(-c2ccccc2)cnc1C 760246061 YICPLKAOSXFSNI-UHFFFAOYSA-N 283.400 3.529 30 20 CHED C=CCOc1ccc(OC(=O)C[C@@H](OCC)C(C)C)cc1 760571303 JQIZCDHJCSZNAW-MRXNPFEDSA-N 292.375 3.608 30 20 CHED Fc1ccc(C=NOC[C@@H]2CCOC2)c(Cl)c1Cl 761832217 YEJYPFITANEDTQ-MRVPVSSYSA-N 292.137 3.520 30 20 CHED C(CCC1CCOCC1)=NNc1nccc2sccc12 764903754 BNPQKMJFIGJONP-UHFFFAOYSA-N 289.404 3.901 30 20 CHED CCON=Cc1cn(-c2ccccc2)nc1-c1ccccc1 767464353 ONUNDPFKZONLAA-UHFFFAOYSA-N 291.354 3.910 30 20 CHED C#C[C@H](OC(=O)c1sc(-c2ccccc2)nc1C)C1CC1 767518882 QVEJPWPLQBGYSM-AWEZNQCLSA-N 297.379 3.687 30 20 CHED C=CCCC(CC)=NNc1cc(C#N)cc(Cl)n1 768378937 CHARNYCLJQSFHI-UHFFFAOYSA-N 262.744 3.751 30 20 CHED O=C(/C=C/c1csc(-c2ccccn2)n1)c1cscn1 769262392 BBLABGKVHODAEF-SNAWJCMRSA-N 299.380 3.558 30 20 CHED COc1ccsc1C(C)=NNc1ccc(F)cc1F 769765325 FQRKNLBIFWWJOS-UHFFFAOYSA-N 282.315 3.871 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)s1 770574928 NXIPJCMDFVFWJQ-GORDUTHDSA-N 282.299 3.527 30 20 CHED C=CCN(Cc1cc(=O)oc2cc(CC)ccc12)C1CC1 772379961 CRROBTKVXRAFPX-UHFFFAOYSA-N 283.371 3.506 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)C1(F)CCCC1 772790062 GWSJGKPCPDMFAH-UHFFFAOYSA-N 281.714 3.537 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)s1 772797325 OZGSFECMLILVNW-AATRIKPKSA-N 271.316 3.963 30 20 CHED C=C(CC)COC(=O)C1(c2ccc(C)cc2)CCOCC1 773519379 WFKPZIMGSMKWEA-UHFFFAOYSA-N 288.387 3.553 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 774043401 GEQIGVCNOBSUKP-XGWLTEMNSA-N 271.360 3.845 30 20 CHED C[C@@H](C=NOC1CCOCC1)c1cccc(Cl)c1 774438481 RLXRAQLSUBXEFJ-NSHDSACASA-N 267.756 3.625 30 20 CHED C[C@H](C(=O)OCC1(C#N)CC1)c1c(Cl)cccc1Cl 775855203 YCHOPPXWXVTUOZ-VIFPVBQESA-N 298.169 3.944 30 20 CHED C#CC[C@H](N[C@@H]1CCO[C@H](C(C)C)C1)c1ccccc1 776744239 GDICHGZULFDHAW-SQNIBIBYSA-N 271.404 3.544 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(F)nc2)c2ccccc21 777468012 RWKLVGVPIQDPBZ-SOFGYWHQSA-N 280.302 3.609 30 20 CHED C=C(C)CNC(=S)N1CCCSc2cc(C)ccc21 777502190 LHLUUFKVIHGODF-UHFFFAOYSA-N 292.473 3.748 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc([N+](=O)[O-])cc1F 777888446 QLOPSVOLLWYMMB-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)c1cc(C)ccc1OC 779751979 BCNZVQKYRAWNIN-HNNXBMFYSA-N 287.403 3.765 30 20 CHED CCCCC(=NN=c1cc[nH]cc1)c1ccccc1 779809179 GEMROIRZMBCOAE-UHFFFAOYSA-N 253.349 3.510 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1ncncc1Cl 780282440 FAEXFVMOCDTOIR-JTQLQIEISA-N 286.766 3.762 30 20 CHED CC(C)n1cc2c(n1)[C@H](NCc1cccc(C#N)c1)CCC2 780408496 KPXSIJKGXBHROY-QGZVFWFLSA-N 294.402 3.503 30 20 CHED C#CCCCCNC(=O)[C@](C)(CC)CCCCC 780896323 IZBLOAHLIDWWDE-MRXNPFEDSA-N 251.414 3.903 30 20 CHED C/C(C=NNc1ccnc(F)c1)=C\c1ccccc1 781133245 ASZIYRVNFUBIHO-KRGWXWIPSA-N 255.296 3.722 30 20 CHED C=C(C)COC(=O)CCCSc1ccc(OC)cc1 781433661 MKMQJUIRHCILGY-UHFFFAOYSA-N 280.389 3.687 30 20 CHED CO[C@@H](C(C)=NNc1ccccc1[N+](=O)[O-])c1ccccc1 782112156 UWLQBJLQQHKVJH-INIZCTEOSA-N 299.330 3.770 30 20 CHED N#CCC1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 782194459 YSOPXFFGDPGJLP-MRXNPFEDSA-N 274.795 3.953 30 20 CHED CC(CN1Cc2ccccc2C1)=NN[C@H]1CCCC1(C)C 782302248 RXFLMOUQMSKHKD-KRWDZBQOSA-N 285.435 3.546 30 20 CHED COc1cccc(CC(C)=NNc2ccccc2Cl)n1 782892892 GAIVNPJYHYMCOL-UHFFFAOYSA-N 289.766 3.774 30 20 CHED Cc1cc(COC(=O)c2cccn2C(C)C)ccc1C#N 784452804 GVHLKSWYUVSBGQ-UHFFFAOYSA-N 282.343 3.606 30 20 CHED CCC(CC)NN=C/C(C)=C\c1cccc([N+](=O)[O-])c1 787158014 PNSQTTPATRKTNH-UMXABQDKSA-N 275.352 3.762 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C#N)cc2F)cnn1C(C)C 787186548 KQUVDGIENFWLIE-VOTSOKGWSA-N 297.333 3.679 30 20 CHED C#Cc1ccc(C(=O)OC/C=C\c2ccc(Cl)cc2)nc1 787694646 KVWZISBKGBKFMC-ARJAWSKDSA-N 297.741 3.587 30 20 CHED C#CCC1(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CCCCC1 788249081 MTNAYORVJOHCRL-AWEZNQCLSA-N 299.418 3.766 30 20 CHED CCc1cccc(Cl)c1C=NNc1ccc(OC)cn1 788725033 DWZBXXNBGOGKQP-UHFFFAOYSA-N 289.766 3.752 30 20 CHED CC(C)(C)OCCCCON=Cc1cccs1 788784317 KDGHRIRLPDAYRM-UHFFFAOYSA-N 255.383 3.694 30 20 CHED CC(C)(C)OCCCCNc1ccc(F)cc1OCC#N 788796317 XFKPYRBRIFYGLM-UHFFFAOYSA-N 294.370 3.735 30 20 CHED Fc1ccc([C@H]2CCCC2=NNCCc2ccncc2)cc1 789098121 OUQFWTGSAWFSPP-QGZVFWFLSA-N 297.377 3.677 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccccc1CC(C)C 790345715 ZTKGQLMVLKNNRK-AWEZNQCLSA-N 272.392 3.507 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 791059139 OMOZGLJMAVQOGF-JQHSSLGASA-N 298.430 3.624 30 20 CHED C#C[C@H](CCC)NC(=O)N(CCC)Cc1ccccc1F 791064528 HSVJORYSEMCWPV-OAHLLOKOSA-N 290.382 3.549 30 20 CHED CC[C@@H](C)CC(=O)[C@@H](C#N)c1ccc2ccccc2n1 791766238 XUOQYPLJGQEYMZ-OCCSQVGLSA-N 266.344 3.847 30 20 CHED CCOc1ccc(C=NNc2cccc(Cl)n2)cc1F 793175117 OEYFHEJOIPMRJD-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C=CCNC(=S)Nc1ccc(-c2ccncc2)c(C)c1 793258938 BCXSDNRFCFNNTH-UHFFFAOYSA-N 283.400 3.529 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)[C@H]1CCCOC1 793553435 MILHYNNFVQLKBA-JYJNAYRXSA-N 253.430 3.916 30 20 CHED FC(F)(F)CCNN=Cc1ccc(C(F)(F)F)s1 794548585 VAWPFOZUDXOJEB-UHFFFAOYSA-N 290.232 3.643 30 20 CHED COc1c(C)cc(C(=O)/C=C\c2cccnc2)cc1Cl 794723198 FTLLPKVGUVPVFP-WAYWQWQTSA-N 287.746 3.948 30 20 CHED FCC[C@@H]1CCCC1=NNc1ccc(F)cc1F 794857260 WMDZNSFRANBYDM-VIFPVBQESA-N 256.271 3.892 30 20 CHED COc1ccc(C(C)=NOC2CCCC2)c(C)c1OC 794922596 SSCXXYOGEFDMKX-UHFFFAOYSA-N 277.364 3.695 30 20 CHED C=CCCCCC[C@H](C)NCc1cnn2ccccc12 797051405 AYDPGYAIBHZLRQ-HNNXBMFYSA-N 271.408 3.949 30 20 CHED Cc1nn(C(C)C)cc1/C=C1/CCOc2ccccc2C1=O 798370425 MLANQYGCBHXOLW-UVTDQMKNSA-N 296.370 3.821 30 20 CHED C#C[C@H](NC(=O)c1sc(C)nc1-c1ccccc1)C(C)C 799042322 WRTCGWIXBBLGFV-AWEZNQCLSA-N 298.411 3.506 30 20 CHED C#C[C@H](NC(=O)c1nc(C)sc1-c1ccccc1)C(C)C 799046438 JXHHGWWOXDYFAP-AWEZNQCLSA-N 298.411 3.506 30 20 CHED Cc1ccc(C(=O)OCc2ccccc2C)cc1C#N 799364872 PDXVLNUVZJFOPN-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CCc1cccc(C)c1NN=Cc1c(C)nn(C)c1Cl 799493668 KVFFSCPKUVWCDO-UHFFFAOYSA-N 290.798 3.699 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CCO[C@H](C)C#N 801925084 ZEEVJPWLDRRFAT-MGPQQGTHSA-N 294.826 3.692 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)C1(C)C 804618381 SCRNTUOZUATDHV-ZJUUUORDSA-N 299.827 3.672 30 20 CHED C[C@@]12CCN(c3ccc(F)cc3C#N)C[C@H]1C2(Cl)Cl 804704149 DSOZNFZXGDYUET-CHWSQXEVSA-N 299.176 3.717 30 20 CHED C=CCCCCCCNC(=O)[C@@H](c1ccccc1)N(C)C 805217829 LIIJLBRKSGLMGG-QGZVFWFLSA-N 288.435 3.542 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(OCCC)cc1C 806224901 WEUJWIFWUAFVPZ-CQSZACIVSA-N 288.391 3.707 30 20 CHED C=CCCCCCCCNC(=O)c1cc(O)cc(C#N)c1 811590797 LVFNIVZMYYINQI-UHFFFAOYSA-N 286.375 3.520 30 20 CHED O=[N+]([O-])c1c(Cl)cc(Cl)cc1C=NOC1CCC1 812235906 DANURNYBMNTSDE-UHFFFAOYSA-N 289.118 3.805 30 20 CHED COc1ccc(C=NNc2ccc(C)cc2)cc1C 812372605 NGQAVRKEOUQHIW-UHFFFAOYSA-N 254.333 3.758 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)[C@@H]1CCCC[C@H]1C 812967084 RXGNMLFEJPQXME-CRAIPNDOSA-N 283.415 3.638 30 20 CHED CCCCCCCCCC(=O)N1CC[C@]2(CCN(C)C2)C1 814165429 SJEWZUXKNAMJRE-SFHVURJKSA-N 294.483 3.681 30 20 CHED CCc1ccc(C#CC(=O)N(C)[C@H](C)c2cccs2)cc1 814529658 LXRCHDHKRIOWHJ-CQSZACIVSA-N 297.423 3.882 30 20 CHED CCOc1ccc(NC(=S)NN=C2CC[C@H](C)C2)cc1 814717987 YHRYVPJTPWRBGJ-NSHDSACASA-N 291.420 3.548 30 20 CHED FC(F)(F)COCCNN=C1CCCCC12CCCC2 814889715 NGKKNSNJACBDOE-UHFFFAOYSA-N 292.345 3.645 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@H]1CCCc2ccccc21 814892767 NPALIAPNVAHYHW-AWEZNQCLSA-N 279.330 3.734 30 20 CHED CCCC(=NNc1cccc(Cl)n1)c1cccnc1 814939013 BAHGXUZGPBAJOU-UHFFFAOYSA-N 274.755 3.746 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 815765856 GECOZPPZGROUJW-IINYFYTJSA-N 297.320 3.777 30 20 CHED C=CCCCCCCNC(=O)c1c[nH]nc1C(C)(C)C 816661361 LFPGGKQVWUCHCM-UHFFFAOYSA-N 277.412 3.574 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 822355451 PLCFJKCBESVDJZ-UHFFFAOYSA-N 283.375 3.640 30 20 CHED CCCOc1ccc(NC(=O)C#CC(C)C)cc1Cl 822830490 MEJATBZFINNTMS-UHFFFAOYSA-N 279.767 3.727 30 20 CHED CCC(CC)(CNC1CCC(C)(C#N)CC1)SC 823960639 AIWBKQMDYAGVFU-UHFFFAOYSA-N 268.470 3.970 30 20 CHED Cc1nc(Cl)ccc1NC1CCC(C)(C#N)CC1 824308014 UNRKYJWLINFQMH-UHFFFAOYSA-N 263.772 3.928 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(SC)ccc1Cl 824474577 PVJFPAAJKXKHDJ-QMMMGPOBSA-N 286.784 3.690 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1SC(F)(F)F 825138837 YXOUQQDQYOYGCR-UHFFFAOYSA-N 287.306 3.896 30 20 CHED C=CCC(CC=C)C(=O)Nc1sc(C)c(C)c1C(=O)O 825665151 VZOAGQUAYSSEHO-UHFFFAOYSA-N 293.388 3.770 30 20 CHED CC(C(=O)N[C@@](C)(C#N)CCc1ccccc1)=C1CCC1 825810849 UJCPOOSZYOYVAK-GOSISDBHSA-N 282.387 3.518 30 20 CHED C=CC[C@H]1N(C(=O)CSC(F)F)CCCC1(C)C 830568663 JHYGKCADUOWFLY-SNVBAGLBSA-N 277.380 3.536 30 20 CHED CC(Cc1coc2ccccc12)=NO[C@@H]1CCCCO1 834965829 ABIQKQGDJMBQNI-MRXNPFEDSA-N 273.332 3.894 30 20 CHED COc1cc(C)ccc1C=NNc1nccnc1C1CCC1 834979978 QSHHOXCZCITQLK-UHFFFAOYSA-N 296.374 3.507 30 20 CHED COc1cc(C(C)=NNc2ccc(C(C)C)cc2)on1 835018297 KZIAJSPJCOEHIW-UHFFFAOYSA-N 273.336 3.643 30 20 CHED C=CC(C)(C)C(=O)OCc1coc(-c2ccccc2)n1 835110878 DLDBRJKACXNXLT-UHFFFAOYSA-N 271.316 3.597 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccnc(Cl)c1C 836632192 ZYQUBZPXORLPDL-UHFFFAOYSA-N 281.787 3.767 30 20 CHED C=CCC1(C(=O)NCC[C@]2(C)CC2(Cl)Cl)CCC1 836912341 QPYIBAONWALXPH-GFCCVEGCSA-N 290.234 3.823 30 20 CHED C=CCC1(CNC(=O)/C=C\c2scnc2C)CCCC1 836990905 LJXRIMRQINOHGI-SREVYHEPSA-N 290.432 3.717 30 20 CHED CC[C@@H](SC)C(=O)OCCC1(C#N)CCCCC1 840340954 IJZWZMKZHNZDGB-GFCCVEGCSA-N 269.410 3.535 30 20 CHED CCC(C)=NNc1cc(OC)ccc1Br 841657595 OFHSLLKUUAGZRT-UHFFFAOYSA-N 271.158 3.656 30 20 CHED C=CCCCCCCCNC(=O)NCC1(C#N)CCC1 842186971 XGSGLVOVNNZUFF-UHFFFAOYSA-N 277.412 3.506 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](C)c1ccc(SCC)cc1 845636526 PKWGGSWGXJYDIW-NWDGAFQWSA-N 294.420 3.665 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCCCCC1 846768040 VIBASBVWLHSGGR-OAHLLOKOSA-N 284.403 3.530 30 20 CHED C=CCCSCCNC(=S)Nc1ccccc1CC 849277576 CXMZAGDGICUZNW-UHFFFAOYSA-N 294.489 3.845 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(C=O)cc1F 849837950 CWWLHZOTHXGEPW-UHFFFAOYSA-N 291.322 3.515 30 20 CHED CCC[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccn1 851203801 FQSQANQPCQJSLJ-KGLIPLIRSA-N 288.391 3.837 30 20 CHED Fc1ccccc1C=NOCc1ccc(-n2cccn2)cc1 852147126 YRNMNTKVVOYWGJ-UHFFFAOYSA-N 295.317 3.562 30 20 CHED CCOC1CCC(=NNCc2ccc(Cl)cc2)CC1 853318764 WCWKWBFQTNCTGS-UHFFFAOYSA-N 280.799 3.765 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCCC=C(C)C)cc1 853648822 WCHXMRDZRZMHID-UHFFFAOYSA-N 274.364 3.742 30 20 CHED C=CCCONC(=O)c1ccc(C(F)(F)F)cc1Cl 856034405 MQGOULFQGDYCKC-UHFFFAOYSA-N 293.672 3.596 30 20 CHED CC(C)CCOC(=O)N[C@H](CCC#N)c1ccccc1 859075648 VSLDSXRWUGZNDN-OAHLLOKOSA-N 274.364 3.804 30 20 CHED Cc1cccc(NN=C(CC(C)C)c2ccccn2)n1 863160235 WBYUCIMJMURPQR-UHFFFAOYSA-N 268.364 3.647 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNCC(F)(F)C(F)(F)F)o1 863179318 GXGOEELNUQJZFH-CBAPKCEASA-N 296.239 3.524 30 20 CHED CCCCCCC[S@@](=O)Cc1noc(C2CCC2)n1 864482609 CVJLMHUDXSULHT-LJQANCHMSA-N 284.425 3.556 30 20 CHED C#CCCc1noc([C@@H](C)CCc2ccc(F)cc2)n1 866907232 AQJOWXMTZQJXPV-LBPRGKRZSA-N 272.323 3.511 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)Cc1ccc(C#N)cc1 890609505 DCVHWRAVYXLMCY-SFHVURJKSA-N 290.366 3.594 30 20 CHED C=C[C@H](CC(=O)NC(C)(C)CSC)c1ccccc1 890873859 BAGJZQRIXQWNSW-CYBMUJFWSA-N 277.433 3.604 30 20 CHED N#CC[C@@H](CC(=O)NCC=C(Cl)Cl)c1ccccc1 898307194 KUSGDEQURLNLIG-LBPRGKRZSA-N 297.185 3.509 30 20 CHED CCc1sc(C(=O)N(O)Cc2ccc(F)cc2)cc1C 901376291 SNQAAEQOYPYOTD-UHFFFAOYSA-N 293.363 3.790 30 20 CHED C=CCCCCNc1ccc(Cc2nc(C)no2)cc1 901455262 AJTQKKRIZUGBGH-UHFFFAOYSA-N 271.364 3.737 30 20 CHED CCn1cncc1/C=C1\C[C@@H](C)c2ccccc2C1=O 901486662 PBFVDUQETNJYAW-AUWXEVLLSA-N 266.344 3.677 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(OC(C)(C)C)c2)nn1C 901554687 BOPIYPCGJQICGX-MDZDMXLPSA-N 298.386 3.802 30 20 CHED CNc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 902601761 RKUSZAQNPXPYJA-IBGZPJMESA-N 291.398 3.767 30 20 CHED COC(=O)CCCCC(=NOCC=C(C)C)C(F)(F)F 902842231 LSVMLPPFJBOPKR-UHFFFAOYSA-N 295.301 3.621 30 20 CHED CCC[C@@H](NCC1(C#N)CCC1)c1cccc([N+](=O)[O-])c1 903032448 TYEOFIIIEWFPHW-OAHLLOKOSA-N 287.363 3.719 30 20 CHED N#CC1(CN[C@@H]2CCSc3ccc(Cl)cc32)CC1 903101791 MJDPIHZRGHQJDQ-GFCCVEGCSA-N 278.808 3.770 30 20 CHED Cc1ccc([C@@H](NCC2(C#N)CC2)C2CCC2)cc1 903105516 DDSQQLIAVNSXPZ-INIZCTEOSA-N 254.377 3.730 30 20 CHED C=CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 912731554 FZLAOXSVLOYXPR-UHFFFAOYSA-N 280.633 3.865 30 20 CHED CCCCCN(C(=O)/C=C\c1ccccc1C#N)C(C)C 914726579 OHAJPPIEKAVFFA-QXMHVHEDSA-N 284.403 3.999 30 20 CHED C=CCN(C(=O)c1cnn(-c2ccccc2C)c1C)C(C)C 915155581 XFHHGVANODDYDF-UHFFFAOYSA-N 297.402 3.526 30 20 CHED c1ccc2c(NN=C3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)nncc2c1 915909959 WYDSDFMHEPKKQV-VDERGJSUSA-N 292.386 3.854 30 20 CHED CC(=NNC(=S)Nc1ccccc1C)c1ccccc1 915921232 PMVYGBQSCHPKQK-UHFFFAOYSA-N 283.400 3.706 30 20 CHED C#CCOc1ccc(C=NNc2ccccc2)cc1OCC 916247127 BZTIDFVJZOYGAY-UHFFFAOYSA-N 294.354 3.543 30 20 CHED CCCOc1cccc(C=NNc2cccc(OC)c2)c1 917541172 RCYLTHLCDGEEEM-UHFFFAOYSA-N 284.359 3.930 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccc([C@@H]2C[C@@H]2C)o1 917557117 XXADBQRNTKDDIR-UTDPFQHASA-N 285.343 3.736 30 20 CHED CCCCCCCCC(=O)OCc1nnsc1Cl 919222252 RUSURVVXLJXHFN-UHFFFAOYSA-N 290.816 3.985 30 20 CHED C=CCC(C)(C)c1noc(-c2cnn(C3CCC3)c2)n1 924080184 KWGWWWWMTLIISP-UHFFFAOYSA-N 272.352 3.512 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H](c1ccccc1)N1CCCC1 924534462 WVTKETWBCSQZQS-WMZOPIPTSA-N 299.462 3.741 30 20 CHED CCn1c(N(C)c2ccc(C)cc2)nnc1C(C)(C)CC#N 1121827547 FCDVOVXTBPWDMG-UHFFFAOYSA-N 297.406 3.566 30 20 CHED C=C(Br)CN1c2ccccc2SC[C@@H]1C 1191811390 JLQKMKQTTWAOFO-JTQLQIEISA-N 284.222 3.896 30 20 CHED C#Cc1cccc(NC(=S)N2CC[C@H]3CCCC[C@H]3C2)c1 1251489924 ZSLNEWMDZBCADX-CVEARBPZSA-N 298.455 3.877 30 20 CHED CCC[C@H](C)[C@H]1CCCN1c1cc(C)c(C#N)cn1 1306999706 ZQUYNPOCBRWHSX-SWLSCSKDSA-N 257.381 3.667 30 20 CHED C=CCCC(=O)N1CC(Cc2ccccc2C(F)(F)F)C1 1319518782 BUKRKAZCXXFRDP-UHFFFAOYSA-N 297.320 3.673 30 20 CHED CC(C)Oc1ccc(/C=C/c2cc(C#N)ccn2)cc1 1321463113 YETQPWCSVQZLEM-ZZXKWVIFSA-N 264.328 3.911 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1CC1(C#N)CC1 1336267160 BBUFEOSMVTXVNK-GOEBONIOSA-N 254.377 3.558 30 20 CHED C=C(C)CCC(=O)Nc1ccc(CCSC)cc1 1337114315 LHLDVNLLJRGVJD-UHFFFAOYSA-N 263.406 3.887 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1sc(C(C)(C)C)nc1C 1338327524 FSODWGSIVJPJNA-NSHDSACASA-N 293.436 3.513 30 20 CHED COC(=O)c1cccc(C=NNc2cccc(Cl)c2)c1 1340357048 OYLULCDUHMWLGG-UHFFFAOYSA-N 288.734 3.573 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)CC1CCCCCC1 1340722367 IQWJOVXLUIPFGU-UHFFFAOYSA-N 291.782 3.906 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CC(C1CC1)C1CC1 1340993069 WJVBAVHKTNOVAG-UHFFFAOYSA-N 297.402 3.755 30 20 CHED C=CC(C)(C)CNC(=O)c1oc2c(F)cccc2c1C 1344414193 KOAFHECMIIGBBI-UHFFFAOYSA-N 275.323 3.822 30 20 CHED C=C(CC)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 1347031108 JHXGFJXBFAQEBM-UHFFFAOYSA-N 291.244 3.672 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc(F)c(C(C)=O)c1 1347199221 NCUAFHRFNKOKSP-NSHDSACASA-N 264.296 3.536 30 20 CHED Cc1ccc(C(=O)O[C@@H](CC#N)c2ccco2)c(C(C)C)n1 1347948388 GLEKYIZHNOIEHW-HNNXBMFYSA-N 298.342 3.918 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](CC#N)c2ccco2)nc1 1347949595 ZLJCGAOBUHOFOY-OAHLLOKOSA-N 284.315 3.610 30 20 CHED CC(C)C[C@H](C)CC(=O)O[C@@H](CC#N)c1ccco1 1350311347 JOHVTNCZSSJRIO-JSGCOSHPSA-N 263.337 3.850 30 20 CHED C=C[C@H](C(=O)N1CC=CC12CCCC2)c1ccccc1 1352474664 JYZZHZJQXVSKEC-INIZCTEOSA-N 267.372 3.667 30 20 CHED N#C[C@@H](C(=O)/C(F)=C/C1CCCCC1)c1cccc(F)n1 1357664568 WGBUXHXVYXTKSI-FNWMBBJUSA-N 290.313 3.831 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2cc(F)ccc21 1361270559 XAKXHAPNAZKNIP-MRXNPFEDSA-N 294.329 3.674 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2nccc(C)c2C#N)c1 1458208535 LUGRDNLKZYZQRM-OAHLLOKOSA-N 279.387 3.922 30 20 CHED CCC[C@H](NC(=O)Nc1cc(C)cc(C#N)c1)C1CCC1 1476740546 ONZRJVDAUBVPIR-INIZCTEOSA-N 285.391 3.957 30 20 CHED Cc1cccc([C@H](C)CNC(=O)c2ccc(C#N)cc2F)c1 1523050949 WPXLHMDAKNZARV-CYBMUJFWSA-N 296.345 3.539 30 20 CHED CC1(C)CCC[C@H](NC(=O)[C@H](CC#N)c2ccccc2)C1 1537492586 KXJSJWIRWCBRFJ-JKSUJKDBSA-N 284.403 3.769 30 20 CHED CC[C@H](C#N)C(=O)N(C)c1ccc(-c2ccccc2)cc1 1566159196 XKAPKEZPSUSXHP-CQSZACIVSA-N 278.355 3.866 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2ccsc2C#N)c1 1584221466 MTDALOZSJFJSIO-NSHDSACASA-N 271.341 3.846 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1cc(C(=O)O)co1)C2=O 1600497067 ITIPDQTUVUYUFB-AWNIVKPZSA-N 286.308 3.616 30 20 CHED C#Cc1ccc(NCc2cccc(C(=O)O)c2)c(Cl)c1 1602707328 QSJURIAQYFRMEX-UHFFFAOYSA-N 285.730 3.632 30 20 CHED N#Cc1ccc(Cl)cc1Oc1nc(C#N)c(Cl)s1 1642430954 HIXPRHYZPOSPCE-UHFFFAOYSA-N 296.138 3.986 30 20 CHED CC(C)OC1(CNc2c(C#N)cccc2C#N)CCCCC1 1651616287 BPRZVLYDVXYJCL-UHFFFAOYSA-N 297.402 3.970 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccn1 1653758558 FCSMDLSTACJEFO-CVEARBPZSA-N 271.408 3.648 30 20 CHED N#Cc1cccc(CNCc2cc3cc(Cl)cnc3o2)c1 1655254848 PZCMJLFOLANXHS-UHFFFAOYSA-N 297.745 3.643 30 20 CHED CCc1cc(Nc2ncc(C#N)cc2F)ccc1F 1655461379 YIYPNTKDDXQGKL-UHFFFAOYSA-N 259.259 3.537 30 20 CHED CO[C@H](CNc1ncc(Cl)c(C)c1C#N)C1CCCC1 1655705945 KDTYNGLUCHJAGN-CQSZACIVSA-N 293.798 3.532 30 20 CHED N#Cc1ccc(CNc2cncc(C(F)(F)F)c2)cc1 1658169340 HCWQHJDWUMPBLH-UHFFFAOYSA-N 277.249 3.584 30 20 CHED N#Cc1ccc(CNc2cccc(-c3ccon3)c2)c(F)c1 1663341289 GGIKURBKLIKPOW-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CC[C@H](C)CON=C(C)CCCCCCC(=O)O 1776077955 PUGIJVNQOAKFDC-LBPRGKRZSA-N 257.374 3.850 30 20 CHED C=CCCCCN1CC[C@@H]2C[C@@H](CC(=O)O)CC[C@H]2C1 1776174869 ULMCSDJQEBGOGF-XHSDSOJGSA-N 279.424 3.556 30 20 CHED CCCc1ccc(/C=C/c2nc(C(=O)O)ccc2C#N)cc1 1776833138 HZRLJTABRUPOMM-CSKARUKUSA-N 292.338 3.774 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(/C=C/C(=O)O)cc1 1777465320 PAAPOGMJJPPKDE-PJABCKPXSA-N 292.334 3.989 30 20 CHED C=CCCOC(=O)Cc1csc(-c2ccc(C)cc2)n1 103648023 CUKLHOHLAIHECP-UHFFFAOYSA-N 287.384 3.780 30 20 CHED N#Cc1ccsc1NC(=O)Cc1ccc(Cl)s1 8736118 QVYYVKNKHJSMLF-UHFFFAOYSA-N 282.777 3.516 30 20 CHED C#CCCCOC(=O)c1sc(-c2ccccc2)nc1C 110525647 WPZLCNVKBVHJQC-UHFFFAOYSA-N 285.368 3.689 30 20 CHED CN(CCCCc1ccccc1)CCCSCC#N 173868611 QJARDDCGIWCADO-UHFFFAOYSA-N 276.449 3.588 30 20 CHED CC[C@H](CC(=O)Nc1sccc1C#N)C(C)C 105363738 ZQJYEWVTXFNYKQ-SNVBAGLBSA-N 250.367 3.631 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1c(C)noc1C)CO2 172375741 ZCCRJODDJHUSRR-NTUHNPAUSA-N 283.327 3.567 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](CC)Sc1ccccc1 116849801 JNGFSPLZGAWBJA-OCCSQVGLSA-N 263.406 3.638 30 20 CHED C[C@@H](OCCCNc1ccc(C#N)cn1)c1ccccc1 58489073 AFUHYOQVRANJOG-CQSZACIVSA-N 281.359 3.533 30 20 CHED CN(CCCCC#N)Cc1ccc(OC(F)(F)F)cc1 102396951 IWQHAPAXIOBYNH-UHFFFAOYSA-N 286.297 3.711 30 20 CHED CC(C)OC(=O)c1ccc(OCCCC(C)(C)C#N)cc1 177249402 PRFFKDXCKDIOSK-UHFFFAOYSA-N 289.375 3.961 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1cc2ccccc2o1 116959872 ADGMRMFUSAWJDO-NEPJUHHUSA-N 272.348 3.758 30 20 CHED N#Cc1nc(NCCc2cccc(Cl)c2)ccc1Cl 111218606 HXKDEGXAQJKTAT-UHFFFAOYSA-N 292.169 3.915 30 20 CHED Cc1ccccc1CCNc1ccc(Cl)c(C#N)n1 111218604 DOWUQZFRCKSENN-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CCCN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 171360361 SYXSNXLEYJLJBP-UHFFFAOYSA-N 277.755 3.618 30 20 CHED CCOc1ccc(CNc2cc(C#N)ccc2C)cc1OC 315503723 YJCMJXJBCLZUOM-UHFFFAOYSA-N 296.370 3.886 30 20 CHED CC1CCC(NCCSCc2ccccc2C#N)CC1 508354903 OHUXJJPVEOJFAN-UHFFFAOYSA-N 288.460 3.960 30 20 CHED C[C@@H]1C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)CS1 414224351 HOQVFNOSFHEADR-VMGRFDJRSA-N 286.444 3.809 30 20 CHED N#Cc1ccccc1NC(=O)c1scnc1C1CCCC1 183688545 AMELDYGITNEYPS-UHFFFAOYSA-N 297.383 3.925 30 20 CHED C=CCn1c(C)cc(C(=O)CSc2nccs2)c1C 64660448 WCJLRXLZAIDTAG-UHFFFAOYSA-N 292.429 3.722 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)CC(C)C)c1ccccc1 188763703 PMHIRNCZKYPSNQ-GOEBONIOSA-N 259.393 3.897 30 20 CHED Cc1ccc(C[C@H](C)Nc2c(C#N)cccc2C#N)s1 302875432 FLAPIHNBHHPPKI-NSHDSACASA-N 281.384 3.843 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3c(F)cccc3F)C2)cc1 302222796 PBBWQFBPIZYWQE-CYBMUJFWSA-N 284.309 3.830 30 20 CHED C=CCCCC(=O)Nc1cc(C#N)ccc1OC(C)C 177757068 WRXUHIUQXBTYMB-UHFFFAOYSA-N 272.348 3.640 30 20 CHED N#Cc1cc(F)ccc1COc1ccc2c(c1)CCC2 303223339 VXOMRJYHLPHGTH-UHFFFAOYSA-N 267.303 3.765 30 20 CHED C[C@H](Cc1ccccc1F)Nc1ccc(Cl)c(C#N)n1 301183141 RLJRELGMVOKCMN-SNVBAGLBSA-N 289.741 3.789 30 20 CHED C[C@H](c1ccccc1Cl)N(C)C(=O)NCCCCC#N 170886660 PEKXFWFUMXMCPU-GFCCVEGCSA-N 293.798 3.736 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(F)cc1OCC1CC1 77724067 BUHQZWXUICWZTB-LLVKDONJSA-N 292.354 3.701 30 20 CHED CC(C)[C@@H]1OCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 178693167 HSNYGWUCWQHUMN-QGTPRVQTSA-N 286.419 3.660 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)c1cc(C)sc1C 125268756 GXIONCUSTPUIOT-NWDGAFQWSA-N 281.421 3.523 30 20 CHED CC(C)(C#N)CC(=O)NCC1(C)CCC(C)(C)CC1 412613450 MPWZNBVGJUEICT-UHFFFAOYSA-N 264.413 3.649 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCc1ccccc1Cl 178569738 BUSYYYQKUJEZEH-UHFFFAOYSA-N 299.761 3.842 30 20 CHED CCN(c1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 69573014 REWKUESJWGEOCE-UHFFFAOYSA-N 273.336 3.625 30 20 CHED N#Cc1c(F)cccc1NCc1ccc2ncccc2c1 36157868 XDRYSCAOPMVTDR-UHFFFAOYSA-N 277.302 3.858 30 20 CHED N#Cc1ccc(F)c(CNC2CC(c3ccccc3)C2)c1 127736987 JOWSWOGHXFNXEG-UHFFFAOYSA-N 280.346 3.733 30 20 CHED C=CCN(C(=O)/C=C\c1ccccc1)c1ccccc1 215736184 DBDJPTXZLUXCQV-YPKPFQOOSA-N 263.340 3.919 30 20 CHED CC(C)C[C@H]1OCCC[C@H]1Nc1ccc(C#N)cc1F 302481650 RITWOSZCUBGNHE-HZPDHXFCSA-N 276.355 3.703 30 20 CHED CCC(CC)CC(=O)N[C@](C)(C#N)CCc1ccccc1 129376302 XWPGXSBLWWRGJJ-SFHVURJKSA-N 286.419 3.844 30 20 CHED Cc1csc([C@@H](C)CN[C@H](C)c2ccc(C#N)cc2)n1 186567109 ZQRGYMUHKFOYNU-WCQYABFASA-N 285.416 3.778 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(CCCSCC#N)C1 74991727 ISSXAGRCZQSGRG-CZUORRHYSA-N 292.423 3.855 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](OCCC)CC1 181120849 MJXHWJRWBOPTLF-HZPDHXFCSA-N 296.455 3.722 30 20 CHED C[C@H](Cc1ccncc1)Nc1cc(Cl)ccc1C#N 487638805 KSTJZGZATBWJRO-LLVKDONJSA-N 271.751 3.650 30 20 CHED CCN(CC#N)[C@@H]1CCc2c(Cl)cc(Cl)cc21 411215480 RGPYECBIUXHCIG-CYBMUJFWSA-N 269.175 3.826 30 20 CHED C[C@@]1(C/N=C/c2cc(Cl)ccc2O)CCCS1 121018501 ZVHROKDMIKCPFN-LIOBOASVSA-N 269.797 3.750 30 20 CHED CC(C)(C#N)CCCCN1CCC([C@H]2CCCO2)CC1 365206955 WGUSSYYUMHCNPI-MRXNPFEDSA-N 278.440 3.597 30 20 CHED CC#CCCCC(=O)NCCc1ccc(Cl)cc1Cl 184889476 UATWSIOALCGVCU-UHFFFAOYSA-N 298.213 3.846 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(OCC3CC3)cc2)C1 185729232 UXRWFPXOLPLAKS-HOCLYGCPSA-N 270.376 3.970 30 20 CHED N#CCc1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1 120941104 HCBTZCBEYZLSMO-OAHLLOKOSA-N 295.342 3.545 30 20 CHED C[C@H](SCCC#N)c1nc(Cc2ccc(F)cc2)no1 413009169 BOSBFICHEYAOEY-JTQLQIEISA-N 291.351 3.507 30 20 CHED CCCN(Cc1ccc(C#N)cc1Br)C1CC1 181084134 BQNCWCHSABSSQZ-UHFFFAOYSA-N 293.208 3.695 30 20 CHED COc1ccc(F)cc1CN[C@H](C)c1ccc(C#N)cc1 180141292 ZCJYUAJYDHVMBY-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CC(C)(C)CCCC(=O)N[C@]1(C#N)CCc2ccccc2C1 183927600 NUQPTPMDFSRMJX-LJQANCHMSA-N 298.430 3.770 30 20 CHED C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1C[C@H]1C 414069065 BMKIFUAMRKJFIY-RAGICBKZSA-N 298.430 3.882 30 20 CHED Cc1ccccc1[C@@H](NC(=O)NC[C@@H](C)C#N)C(C)(C)C 182705320 HWKAMWYHQLMARG-SWLSCSKDSA-N 287.407 3.541 30 20 CHED Cc1ccccc1-n1c(C)nnc1S[C@@H](C)CCC#N 188203092 UOVXKWXXXVGZRU-LBPRGKRZSA-N 286.404 3.669 30 20 CHED C=C(C)CCc1noc(-c2ccc(CN3CCCC3)cc2)n1 508608711 LIGCJABZYPPCFO-UHFFFAOYSA-N 297.402 3.841 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H]1CC 185189589 XVPOTYUTGKSGKP-RDBSUJKOSA-N 252.402 3.561 30 20 CHED CC(C)(NCCC1(C#N)CCCCC1)c1nccs1 411373636 JEYKASAATJXWEI-UHFFFAOYSA-N 277.437 3.832 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H](c2ccccc2)C2CC2)C1 185767877 VPMVWFACYSOUFB-XKQJLSEDSA-N 254.377 3.810 30 20 CHED CCc1nocc1CN(CC)[C@H](C)c1ccc(C#N)cc1 507331314 FPMAYXAUNWJBRE-CYBMUJFWSA-N 283.375 3.692 30 20 CHED N#CCCCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 417303853 DPKGQPSOFRWRIK-INIZCTEOSA-N 287.363 3.646 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(CC)cccc1CC 181504631 WERTZVWCBGXHIH-UHFFFAOYSA-N 260.381 3.851 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(C(F)(F)F)c1 189827384 BFHFDOLBDNCQQA-CQSZACIVSA-N 285.309 3.924 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2c(s1)CCCC2 410136155 QIUKYHWXDIJSON-LBPRGKRZSA-N 263.406 3.711 30 20 CHED C[C@H](OC(=O)c1cnc(C(C)(C)C)s1)C(C)(C)C#N 130788843 XENLAYUIZYNIBD-VIFPVBQESA-N 280.393 3.536 30 20 CHED CCCc1ccc(OC)c(OCC2(C#N)CCC2)c1 418961356 IHHNOCCQKQMSTO-UHFFFAOYSA-N 259.349 3.720 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2CCCCC2(C)C)C1 328871042 DIHHGCUPEIUFIP-SDDRHHMPSA-N 266.385 3.667 30 20 CHED C=C(C)CN(CC)CCOc1ccc(C(F)(F)F)cc1 503973942 JNMZRVMKZWUPIK-UHFFFAOYSA-N 287.325 3.982 30 20 CHED C#C[C@H](CC)NC1CC(c2cccc(Br)c2)C1 229881539 DETAMLQMAVHCDA-HNFVBEJKSA-N 292.220 3.697 30 20 CHED C[C@@H]1OCC[C@]1(C)/N=C(/O)c1scnc1C1CCCC1 329529731 UAYGQZXLSOHIML-BONVTDFDSA-N 294.420 3.673 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@]1(C)CCC[C@H]1C 410590797 LXOXNZGTFYDGRV-BDJLRTHQSA-N 256.349 3.632 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(C#N)cs1 84071737 ORZOGUVFPUUBSY-UHFFFAOYSA-N 288.397 3.510 30 20 CHED N#C[C@@H](NC(=O)CCCC1CCCC1)C1CCCCC1 506508287 AMGXOXFYYKQMPD-MRXNPFEDSA-N 276.424 3.936 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CC2CCCCC2)n1 41521495 BSPNYNXMJYMGMG-LBPRGKRZSA-N 262.378 3.598 30 20 CHED CC[C@H](CSc1ccc(C#N)cc1Cl)OC 416923572 NWRCWRZRIYNOEJ-SNVBAGLBSA-N 255.770 3.729 30 20 CHED C[C@H]1CC[C@H](C(O)=Nc2ccc(C3CCC3)cn2)O1 329358491 BLWGUANSRJNXCX-GXFFZTMASA-N 260.337 3.505 30 20 CHED C[C@H](/N=C(/O)N1CCCCO1)c1cc2cccc(F)c2o1 328781762 UYEMKQWFLRWYIL-JTQLQIEISA-N 292.310 3.574 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccccc1Oc1ccccc1 89527876 SFJOLUQXRZRUMA-AWEZNQCLSA-N 294.354 3.901 30 20 CHED C=C(C)CNC(=O)c1cnn(-c2ccccc2C)c1C(C)C 190511791 KVEJXWQDZRDLIW-UHFFFAOYSA-N 297.402 3.610 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H]1CCCC[C@@H]1C 130441911 RVCCQGRJUGFOMU-XJKSGUPXSA-N 272.392 3.577 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 511670894 KZNKNEKRGHBLPB-ZWNOBZJWSA-N 279.330 3.539 30 20 CHED CCc1cc(C#N)c(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)s1 329407460 XMKXQBVSZGZIFN-NXEZZACHSA-N 290.388 3.775 30 20 CHED COc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1Cl 193075427 LJDDOTNBHQAFLH-GHMZBOCLSA-N 264.756 3.843 30 20 CHED CCC(CC)(CNc1ccc(C#N)c(Cl)c1)C(=O)O 137661852 ODIBMXTYZPDQOQ-UHFFFAOYSA-N 280.755 3.515 30 20 CHED C=C[C@@H](CC(=O)Nc1cnccc1C)c1ccccc1 130003477 VUHTVCSGCZPKPH-AWEZNQCLSA-N 266.344 3.688 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC1CC(OCC)C1 191599611 VTSMVRHSMZPDQU-UHFFFAOYSA-N 293.451 3.787 30 20 CHED OC1=N[C@H](/C(O)=N/[C@@H]2CSc3ccccc32)CCCC1 329867682 WJDJUTBMUNAHPS-NWDGAFQWSA-N 290.388 3.689 30 20 CHED C=C[C@@H](CC(=O)NCC1(SC)CCC1)c1ccccc1 194490751 CYTBDRVQYWAROB-AWEZNQCLSA-N 289.444 3.748 30 20 CHED C=C(C)CN(C)Cc1ccccc1OC(F)(F)F 43645867 NJYUMWGSZJSWFD-UHFFFAOYSA-N 259.271 3.593 30 20 CHED CC[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 228178802 VBTQSRSJBOURKE-LLVKDONJSA-N 293.208 3.947 30 20 CHED C=C(C)COc1cccc(NC[C@@H]2CCC=CO2)c1 194148655 QAFZQBGRAFVENK-INIZCTEOSA-N 259.349 3.746 30 20 CHED C=CC[C@@H](CC)NC(=O)COc1ccccc1C(C)C 518474698 QSNLCIZYKFCODU-CQSZACIVSA-N 275.392 3.660 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccccc1SC 194930969 NCOHCFNGHRACIN-ZDUSSCGKSA-N 265.422 3.652 30 20 CHED C=CCN(CCC#N)Cc1c(Cl)ccc2cccnc12 428881477 OYAJLBKBMHSAJY-UHFFFAOYSA-N 285.778 3.790 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H](CC2CC2)C1 338808653 HXKLNHNTYBZRAS-NSHDSACASA-N 295.308 3.598 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1cccc(OC(F)F)c1 424847293 YIWNVWJPWNLGNV-ZDUSSCGKSA-N 297.345 3.692 30 20 CHED CC[C@H](C)n1[nH]c(=N/C(O)=N/C2(C)CCCCC2)cc1C 330698731 WQAAVFPQPIMFRO-LBPRGKRZSA-N 292.427 3.633 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccnn1[C@@H](C)CC(C)C 331131238 QGWBHOMAAGKOBX-ZDUSSCGKSA-N 278.400 3.530 30 20 CHED CNc1ccc(Cl)c(/C(O)=N/[C@H](C)[C@H]2CCCOC2)c1 331248284 WUAQEOFHSULTKG-MNOVXSKESA-N 296.798 3.501 30 20 CHED C#CCCOc1ccc(CN(CC)Cc2ccccn2)cc1 93338829 IPDGAPIHPCFJCT-UHFFFAOYSA-N 294.398 3.506 30 20 CHED C#CCCNc1cc(C)c(Br)c(C)c1 235768442 YRZSYHWUEWARKP-UHFFFAOYSA-N 252.155 3.501 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 435008242 LPPQZTZZIFCPFX-GDBMZVCRSA-N 296.414 3.532 30 20 CHED CCC1(C)CCN(c2ccc(Cl)c(C#N)n2)CC1 520988854 HJHLVJJHJASSCP-UHFFFAOYSA-N 263.772 3.623 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(C)cc1C 522632840 VAFFUOJURFUIRR-LSDHHAIUSA-N 274.408 3.970 30 20 CHED CC(C)(CCC#N)CNc1ncc(Cl)cc1F 340936071 ISQHZMSVKTXIQR-UHFFFAOYSA-N 255.724 3.616 30 20 CHED C=CCN1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 348106731 ICYAUXMVPGUTFF-MRXNPFEDSA-N 285.366 3.929 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc([C@H]3C[C@@H]3C)o2)n1 522284747 ZVONWPRZFVYQNG-FZMZJTMJSA-N 281.359 3.899 30 20 CHED C[C@@H]1Oc2ccccc2[C@@H]1Nc1cccc(F)c1C#N 341054621 YGFAWZKHBLAJHI-MGPLVRAMSA-N 268.291 3.631 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](C)C1 345055179 DMMPXMYZHQZMCH-PBHICJAKSA-N 284.403 3.733 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl 435585054 PKFSOIMSBGPUNC-HZMBPMFUSA-N 296.754 3.641 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc2c(C)c(C)ccc2[nH]1 435732661 RFBFXRIODQBHCX-BEFAXECRSA-N 298.430 3.856 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 528423823 ISPUYCQJHWDPMG-UONOGXRCSA-N 264.413 3.647 30 20 CHED Cc1ccc(CCC(=O)N2CCCC(C)(C)[C@H]2C#N)c(C)c1 434026406 SRJHYCVCJHJKOP-QGZVFWFLSA-N 298.430 3.777 30 20 CHED N#Cc1ccc(CSCc2cccnc2)c(F)c1 342010375 VGQQDMZIOWXRHE-UHFFFAOYSA-N 258.321 3.526 30 20 CHED Cc1nccn1-c1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 348406482 SSIKEOHKBJYKEK-CQSZACIVSA-N 294.402 3.525 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccco1 341851378 HGLHKUHAHZTKBJ-LLVKDONJSA-N 286.356 3.784 30 20 CHED C=CCCCN1CCC[C@@H](Cc2ccc(OC)cc2)C1 607744940 XNISVFBFEADGKV-KRWDZBQOSA-N 273.420 3.916 30 20 CHED Oc1ccccc1C=Nc1n[nH]c2c(Cl)cccc12 255025051 RYNPYLRBQVWEKI-UHFFFAOYSA-N 271.707 3.673 30 20 CHED CC(C)(C#N)CCN[C@@H](c1ccccc1)c1ccccn1 342607141 OIXGEIGFKSWGBS-KRWDZBQOSA-N 279.387 3.700 30 20 CHED C=CCn1cccc1-c1nc([C@H]2C[C@H]2c2ccccc2)no1 347215220 LCXCUCVRAYQQBD-GJZGRUSLSA-N 291.354 3.995 30 20 CHED C[C@H](CCC#N)CN[C@@H](c1ccccc1)c1ccccn1 602499168 NRLRITPPRKTLRU-QAPCUYQASA-N 279.387 3.700 30 20 CHED C=CC1CCN(C(=O)NC[C@@H](CC)CCCC)CC1 600839970 AHAUGVHZOVJMTI-HNNXBMFYSA-N 266.429 3.810 30 20 CHED O=C(/C=C\c1c(Cl)nc2ccccn12)c1ccccc1O 255079889 OTJXYFFFWLDXIS-HJWRWDBZSA-N 298.729 3.589 30 20 CHED CCc1c(NC[C@H](C)CCC#N)cnn1CCC(C)C 602635183 QIKORCPCSXZGRZ-CQSZACIVSA-N 276.428 3.843 30 20 CHED Cc1ccc(-c2nnc(S[C@@H](C#N)C3CC3)o2)cc1C 601068824 GMCUHOJPUZKGEE-ZDUSSCGKSA-N 285.372 3.748 30 20 CHED Cc1csc(NC(=O)C2CCC=CCC2)c1C#N 602337205 ULGBOOOFNWSDFI-UHFFFAOYSA-N 260.362 3.613 30 20 CHED CCc1ccccc1NCCOc1ccc(C#N)cc1 251979396 FOJUDTHVUBFTOT-UHFFFAOYSA-N 266.344 3.612 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2cccnc2)c1 255897117 IHANSELMAVXCAB-HJWRWDBZSA-N 267.328 3.765 30 20 CHED N#Cc1cccnc1N[C@H]1CCc2sc(Cl)cc21 357605883 YSOKOIGQEBFWQA-JTQLQIEISA-N 275.764 3.768 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3c(C)cccn23)cc1 255439094 BVUGAMGCZOQQOQ-KTKRTIGZSA-N 276.339 3.847 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(-c2cccs2)o1 353210311 YQOJSVIKGOJXFI-UHFFFAOYSA-N 288.372 3.630 30 20 CHED Cc1cc(C)c(C#N)c(S[C@@H](C)c2ccncc2)n1 604428687 RMXQSVMRBBJHHB-LBPRGKRZSA-N 269.373 3.818 30 20 CHED Cc1ccc(-c2csc(Cn3cc(C#N)c(C)n3)n2)cc1 359388818 JFDFJICXOQOCNG-UHFFFAOYSA-N 294.383 3.543 30 20 CHED Cc1ccccc1OCCN(C)[C@H](C)c1ccc(C#N)cc1 532894488 YFTGKMOEQNDLHV-MRXNPFEDSA-N 294.398 3.939 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2cccc(CC#N)c2)CS1 449697214 LAJFPAXAAVRCNQ-CABCVRRESA-N 260.406 3.695 30 20 CHED CC(C)[C@H](Nc1cc(C#N)ccn1)c1ccccc1 355498817 JNBTUMCTDTVDTA-INIZCTEOSA-N 251.333 3.762 30 20 CHED CCc1ccc(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1 447916146 OKWPLXZSEXKUFG-OALUTQOASA-N 298.430 3.676 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc3c(c2)CCC3)s1 604027759 VOCNDVICYZTFLB-UHFFFAOYSA-N 296.395 3.923 30 20 CHED Cc1oncc1CSc1nc(C(F)(F)F)ccc1C#N 445604217 KLPUBILTTDAAAB-UHFFFAOYSA-N 299.277 3.561 30 20 CHED CSc1ccccc1[C@@H](C)NC[C@@H](C)CCC#N 602651503 ISCMYFNMMCNXRO-QWHCGFSZSA-N 262.422 3.999 30 20 CHED CC[C@H](N[C@H](C)C(F)(F)F)c1ccc(C#N)cc1 352608688 OHHVFFOGNAEAOT-SKDRFNHKSA-N 256.271 3.550 30 20 CHED CC1=C(C(=O)N(CC#N)C2CCCC2)CCC(C)(C)C1 449951867 IQPJVZKGVJFPIZ-UHFFFAOYSA-N 274.408 3.808 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 617777207 KKLKLVLWYDXYAH-CVEARBPZSA-N 261.409 3.938 30 20 CHED C=CCN(C(=O)c1cccc2ccsc12)[C@@H](C)COC 617582906 XWTSMSMHDYLMRI-LBPRGKRZSA-N 289.400 3.564 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccccc1SC(C)C 611250659 IEIGSEHOLMATRR-ZDUSSCGKSA-N 290.432 3.855 30 20 CHED CCCCCCCC(=O)NC[C@H](CCO)c1ccccc1 267978780 OGDSSOSOXXTTPY-KRWDZBQOSA-N 291.435 3.629 30 20 CHED COc1ccc(CN(CCC#N)CC(C)(C)C)cc1C 353437393 QYHRFVIKTUGROA-UHFFFAOYSA-N 274.408 3.765 30 20 CHED Cc1cccc(C2(C(=O)N(C)CCC#N)CCCCC2)c1 354483551 WOYCBDZLMUNNNT-UHFFFAOYSA-N 284.403 3.569 30 20 CHED C=CCn1c(C)nnc1N1C[C@@H](C(C)C)c2ccccc21 350623720 STBVNQHGXVBHNE-HNNXBMFYSA-N 282.391 3.664 30 20 CHED Cc1cnc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 357301050 BWSLFHFGWZJBNO-HOTGVXAUSA-N 297.427 3.723 30 20 CHED C=C(C)CN(CC)C(=O)CSCCC(C)(C)CC 610315771 BJJJSYOQIKJEGG-UHFFFAOYSA-N 271.470 3.971 30 20 CHED N#Cc1nc(N[C@H]2CC23CCCCC3)ccc1Cl 538926877 KMEZBBOISIAKAF-LBPRGKRZSA-N 261.756 3.741 30 20 CHED CC(C)c1cc(CN[C@H]2CCCc3cc(C#N)ccc32)on1 611392667 CEWJBDOVFVDCRB-KRWDZBQOSA-N 295.386 3.837 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCC(F)(F)C2)c1C#N 612086308 WCYIKEYARGZLGW-QMMMGPOBSA-N 271.698 3.515 30 20 CHED C=CCC[C@@H](NCCc1ccc2c(c1)OCO2)c1ccco1 530558608 VREDFKNXEUIKGV-OAHLLOKOSA-N 299.370 3.848 30 20 CHED CCC[C@H](CCc1ccccc1)NCC(C)(C)C#N 613145930 QXKSUUMRSDFKQI-MRXNPFEDSA-N 258.409 3.927 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc3ccncc23)C1 617777376 NLMIICONQLCHRN-AWEZNQCLSA-N 280.371 3.663 30 20 CHED CC1CC(C#N)(C(=O)NCCCc2ccc(C(C)C)cc2)C1 532323809 VJQPRMAIJRWNOY-UHFFFAOYSA-N 298.430 3.799 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1cccc(CC#N)c1 456744653 HBLNPXGBZOQRAN-JSGCOSHPSA-N 256.349 3.517 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)c1ccc(Cl)s1 452775883 PWMHUXQMLSIRRG-SECBINFHSA-N 271.813 3.833 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 452525783 JJZCUHXWJVFXNI-HOTGVXAUSA-N 296.414 3.532 30 20 CHED CC(C)CCCCC(=O)N(C)Cc1ccc(C#N)cc1 457423343 NVSAAEUQQKKVJS-UHFFFAOYSA-N 272.392 3.733 30 20 CHED Cc1ccc(CSCCOc2cccc(C#N)c2)nc1 611469614 QBAWUADKAJWGDP-UHFFFAOYSA-N 284.384 3.574 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc(Cl)cn2)CCC1 278655553 OZXCXRXWEIFIPT-LLVKDONJSA-N 278.783 3.659 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCCCC2)CC1 275021017 PTELYIJBUJQAOO-INIZCTEOSA-N 297.446 3.570 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1Cl 453365161 SANITOLWIVTDFS-DFBGVHRSSA-N 265.784 3.724 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 276075225 KLSMBHSVDLOAQU-HNNXBMFYSA-N 294.345 3.800 30 20 CHED CCCc1nc(C)c(COc2ccc(C#N)cc2F)o1 450885030 ARFFLVDQISDYES-UHFFFAOYSA-N 274.295 3.525 30 20 CHED C=CC(C)(C)CNC(=O)c1cnn(C(CC)CC)c1CC 452773308 IHKDNGFOAPHBEK-UHFFFAOYSA-N 291.439 3.749 30 20 CHED C=C(CNC(=O)[C@@H](CC)CC(F)(F)F)c1ccccc1 451753154 HAAWXCGDHRSEFI-LBPRGKRZSA-N 285.309 3.795 30 20 CHED C=CCSCCNC(=O)c1ccccc1SCC=C 362406669 ZBLIHTBFINIBIU-UHFFFAOYSA-N 293.457 3.614 30 20 CHED COc1cc(OCCCCC(C)(C)C#N)ccc1C#N 277802547 WNSVSVBHBHMVHE-UHFFFAOYSA-N 272.348 3.666 30 20 CHED C=C(C)[C@@H](Cc1nc([C@H](C)C(C)(C)C)no1)OCC 545736053 ZDZBYILTMDDIIG-NWDGAFQWSA-N 266.385 3.743 30 20 CHED COC(=O)C1(NCCCCC(C)(C)C#N)CCCCCC1 365628195 QFEVJCPVWHEPPG-UHFFFAOYSA-N 294.439 3.562 30 20 CHED C[C@@H](C(=O)OCc1ccc(CC#N)cc1)c1cccs1 271894396 SVUNKCOHFBBXQW-GFCCVEGCSA-N 285.368 3.661 30 20 CHED CC(C)(C)c1cnc(CNc2cccc(CC#N)c2)o1 453153138 XLZFLWDHJYCVQJ-UHFFFAOYSA-N 269.348 3.650 30 20 CHED C=CCC1(NC(=O)[C@H]2CC(=O)c3ccccc32)CCCCC1 456373994 WMKFHUIESAURSV-INIZCTEOSA-N 297.398 3.752 30 20 CHED C=CCCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1 276021762 AUZHERRWAVHWQK-UHFFFAOYSA-N 272.175 3.570 30 20 CHED CC[C@@H](Nc1nccc(C)c1C#N)c1nc(C)cs1 273325687 LDXOZTBMWFVYKT-GFCCVEGCSA-N 272.377 3.590 30 20 CHED CN(C(=O)c1ccc(CC#N)cc1)C1CCC(C)(C)CC1 270412998 YAVZSODLKQSLSD-UHFFFAOYSA-N 284.403 3.793 30 20 CHED Cc1nnc(CSCCCCC(C)(C)C#N)s1 277986252 UAUMOXYCEDBOCP-UHFFFAOYSA-N 269.439 3.800 30 20 CHED Cc1ccccc1CN(C)C(=O)c1ccc(Cl)c(C#N)c1 542706611 GSHXDGZKKQUZIJ-UHFFFAOYSA-N 298.773 3.792 30 20 CHED Cc1cc(CCNCc2cc(C#N)cs2)ccc1Cl 462915678 YPPFGBFDZRRRJU-UHFFFAOYSA-N 290.819 3.914 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Cl)c(Cl)cn1 468013141 CJZGAMTVZSIOEZ-GFCCVEGCSA-N 273.163 3.929 30 20 CHED CCOc1cccc([C@H](C)Nc2ccnc(C#N)c2)c1 286445804 WYTDLFVAVBRMNQ-LBPRGKRZSA-N 267.332 3.525 30 20 CHED CN(CC1CCCCC1)C(=O)c1ccc(Cl)c(C#N)c1 541756690 TVEGUDWKLPNMMB-UHFFFAOYSA-N 290.794 3.864 30 20 CHED Cc1cnn(C)c1/C=C1/C(=O)c2ccsc2S[C@H]1C 285138830 OAKVZTAQHLBTLU-CAXXOGMASA-N 290.413 3.551 30 20 CHED C=CCCC[C@@H](C)Sc1ncccc1[N+](=O)[O-] 462401471 QFDYSOKUPFFMPB-SNVBAGLBSA-N 252.339 3.827 30 20 CHED CC(C)=CCCNC(=O)c1ccc(C(C)(C)C#N)cc1 281927227 RFWOCABKEPCRPJ-UHFFFAOYSA-N 270.376 3.574 30 20 CHED N#Cc1cc(F)cc(OCCCOCCc2ccccc2)c1 558057291 OBDJJUQZWWCSMA-UHFFFAOYSA-N 299.345 3.726 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](C)c1ccc(F)cc1 467948880 MRLASWKPMSQLKU-LRDDRELGSA-N 263.356 3.648 30 20 CHED C=CCC[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccco1 285699095 OYUVWLYSKDFCQV-HOTGVXAUSA-N 289.350 3.749 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccccc2Cl)no1 285596241 UDPAOBVGZPASNS-CYBMUJFWSA-N 261.712 3.581 30 20 CHED CC#CCCN1CCc2[nH]c3ccc(Cl)cc3c2C1 462336449 QMHDBSZFYPPKOK-UHFFFAOYSA-N 272.779 3.593 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1ccccc1C(C)C 558937688 MUGAZUPZAMUJPY-UHFFFAOYSA-N 279.343 3.637 30 20 CHED N#Cc1ccnc(NC[C@H]2CCCO[C@H]2c2ccccc2)c1 283412014 ABHILYKUNQUGDW-AEFFLSMTSA-N 293.370 3.533 30 20 CHED C=C(C)CN1CCC2(CC1)C(C)=Nc1ccccc12 639716125 WWGAGXRCENLUNE-UHFFFAOYSA-N 254.377 3.702 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1c1cccc(F)c1 280805068 SITIYFBUJKSFAQ-MRXNPFEDSA-N 298.317 3.576 30 20 CHED CC(C)CN(CCCSCC#N)Cc1ccccc1F 466741425 RESZQVUKPYVLDW-UHFFFAOYSA-N 294.439 3.931 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H]2CCO[C@@H](C(C)C)C2)n1 556362420 NAMBLFCKDDWKBX-ZIAGYGMSSA-N 292.423 3.917 30 20 CHED COc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(C)cc1C 297033878 LFVLGHDXAXAPCH-SFHVURJKSA-N 298.386 3.725 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2cnccc2C#N)c1 558594806 DFHACCPEWRVAHD-CQSZACIVSA-N 265.360 3.613 30 20 CHED C=CCOc1ccccc1C(=O)Nc1nc(C(C)C)co1 637635803 RCOHNZODFXXCDU-UHFFFAOYSA-N 286.331 3.615 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CC(C)(C)C1CCCCC1 474894850 JVVFBLHCBBMYIN-AWEZNQCLSA-N 278.440 3.991 30 20 CHED CC(=NN[C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1 808002400 JMDYXPJQSBQXAH-GFCCVEGCSA-N 288.338 3.525 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(OCC)cc2)n1 560022483 XXWNGOUNJOWBRI-UHFFFAOYSA-N 272.348 3.989 30 20 CHED N#Cc1ccc(CN2CC(C3CCC3)C2)c(C(F)(F)F)c1 569399612 YCBNZFOMGYEUOY-UHFFFAOYSA-N 294.320 3.809 30 20 CHED N#CC1(C(=O)Nc2ccc(-c3ccccn3)cc2)CCCC1 291824615 YZJIXDZUFCKERB-UHFFFAOYSA-N 291.354 3.771 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1cccc(C2CC2)c1 295767064 WLMVSVRDQTUZTJ-CYBMUJFWSA-N 282.387 3.825 30 20 CHED C=CCC[C@@H](C)NC[C@H]1CCN(c2ccccc2F)C1 291231325 OBYRFJQKMXMCNA-HUUCEWRRSA-N 276.399 3.596 30 20 CHED C[C@H](OC(=O)C1(C(F)F)CCCC1)c1ccc(C#N)cc1 808479843 CTTUPPDSUNUXEZ-NSHDSACASA-N 293.313 3.988 30 20 CHED C=CCCCCNC(=O)c1ccc2sccc2c1 471680308 TXRWMLSMWKCLRZ-UHFFFAOYSA-N 259.374 3.987 30 20 CHED C=C(C)CS[C@@H]1CCCN(c2ccccc2F)C1=O 479144717 SDIYUEBXNTZXTH-CQSZACIVSA-N 279.380 3.630 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1Cl 294500108 SKSLTJGAXLKVLB-UHFFFAOYSA-N 252.745 3.770 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCC1(C)CCC(OC)CC1 472117022 DIQKVWVKGAAQOZ-HPUBIQBYSA-N 296.455 3.626 30 20 CHED Cc1cccc(Cl)c1C[S@](=O)CCC(C)(C)C#N 567361198 JSIHXHBMWBJHMK-GOSISDBHSA-N 283.824 3.837 30 20 CHED CCC[C@H](Nc1cc(C#N)ncn1)c1ccc(F)cc1F 568830679 VOBXKSPILBWYCC-AWEZNQCLSA-N 288.301 3.580 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1scc(C)c1C#N 563354582 IFUCUWSTVTXUBW-JTQLQIEISA-N 279.409 3.828 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCOc1ccccc1C 488858867 OYOYRVVARUAJQU-INIZCTEOSA-N 287.403 3.721 30 20 CHED Cc1ccsc1C=NNc1ccc(F)c(F)c1F 814945177 PDOCIUUSUBKRAM-UHFFFAOYSA-N 270.279 3.920 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)CC(C)(C)C1CC1 815693890 NSJJHPPFERRARR-UHFFFAOYSA-N 289.350 3.603 30 20 CHED COCCc1ccc(Oc2ccc(NCCC#N)cc2)cc1 575796532 DAXRHGVJFOOMAM-UHFFFAOYSA-N 296.370 3.993 30 20 CHED O=C(O)c1ccc(NN=C2CC(c3ccccc3)C2)cc1 814680619 ABRAPNBSJTUDMP-UHFFFAOYSA-N 280.327 3.730 30 20 CHED Cc1ccc(CC(=O)Nc2scc(C)c2C#N)cc1C 574435920 UIIXQKMYEUXBJR-UHFFFAOYSA-N 284.384 3.726 30 20 CHED Cc1ccc(-c2nc(C=NOC/C=C/Cl)co2)cc1 811670082 NBUZSGXWRJKULL-WQYIHYNDSA-N 276.723 3.753 30 20 CHED C=CCCC(CCC)=NNc1nccnc1Cl 814850256 GGUCTGWUEGRFLE-UHFFFAOYSA-N 252.749 3.664 30 20 CHED Cc1ccc2c(c1)OCCCC2=NN[C@H](C)c1ccncc1 819816903 RSUWAVLPQXELEW-CQSZACIVSA-N 295.386 3.618 30 20 CHED N#Cc1ccc(OCCNc2ccc(C#N)cc2Cl)cc1 486588180 QXDDUZMBNHEPRU-UHFFFAOYSA-N 297.745 3.574 30 20 CHED CCCC[C@@H](CC)C(=O)OCc1ccc(F)cc1C#N 728622218 CQZMEZGXLXDCNQ-GFCCVEGCSA-N 277.339 3.957 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CO[C@@H]1CCCC[C@H]1CC 488815244 AOZNPCBIMWKKMP-BZUAXINKSA-N 279.424 3.539 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(OC)cnc2ccccc12 489967664 UOUPLZNJQOUYIW-UHFFFAOYSA-N 298.386 3.576 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1scnc1C 727973364 JFROKCBEUDLHGV-UHFFFAOYSA-N 290.348 3.504 30 20 CHED CC#CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 577555566 KTJMEQUZAHZWGY-RYUDHWBXSA-N 296.197 3.579 30 20 CHED C=CCOCCN[C@H](COc1ccccc1)c1ccccc1 575334500 RPIYMUUUDOHYGR-LJQANCHMSA-N 297.398 3.599 30 20 CHED C[C@]1(CCN[C@@H]2CCC[C@@H](C#N)C2)CC1(Cl)Cl 824971472 RLOILBZDHBHPTO-UTUOFQBUSA-N 275.223 3.632 30 20 CHED CCCc1cc(C(=O)NCc2cccc(C#N)c2)sc1C 496803681 OQFUBQJNNXXVFI-UHFFFAOYSA-N 298.411 3.811 30 20 CHED C=C(C)COC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 729780952 LGLCJEIAFUGPJX-UHFFFAOYSA-N 291.734 3.657 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H]2CCC[C@@H](C)C2)c1 728481712 RLZHCJVHECBRNX-ZBFHGGJFSA-N 269.388 3.847 30 20 CHED CC#CCCNCc1ccc(-n2cnc3ccccc32)cc1 499219164 ZAQUSIROQYCQMI-UHFFFAOYSA-N 289.382 3.529 30 20 CHED Cc1ccc(NN=C2c3ccccc3-c3ccccc32)nn1 729936137 INDQRYIUOUGFFW-UHFFFAOYSA-N 286.338 3.630 30 20 CHED C#C[C@H](NCc1cnc(C)s1)c1ccc(Cl)cc1F 491497186 WEJVXAWIQNDKOX-AWEZNQCLSA-N 294.782 3.708 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(O)cc1F 729933304 WWLDPWQSGWMHMM-UHFFFAOYSA-N 262.259 3.507 30 20 CHED C#Cc1cccc(NC(=O)c2sccc2OC(F)F)c1 729307285 ONWZCHZUJOQJOH-UHFFFAOYSA-N 293.294 3.583 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CCCc2c(OC)cccc21 497454852 QPUKKZFWGZXWOT-ZDUSSCGKSA-N 273.376 3.577 30 20 CHED C=CCCCCS(=O)(=O)Cc1sccc1Cl 666348126 ZIRHTNCJJTZDCS-UHFFFAOYSA-N 278.826 3.673 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)c1cc(C#N)ccn1 586964624 PQSXOGFRULOXRO-UHFFFAOYSA-N 292.169 3.896 30 20 CHED Cc1cccc2c1CCC2=NNc1ccc(C#N)cc1 729142189 NNPWIJUOWJPXDH-UHFFFAOYSA-N 261.328 3.629 30 20 CHED C#Cc1cccc(N(C(=O)c2cccc(CC)n2)C(C)C)c1 825906046 UOGFRUQTOWOJHU-UHFFFAOYSA-N 292.382 3.681 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1cccc(Cl)n1 901245786 NLEDZOVSXPKMGM-UHFFFAOYSA-N 291.786 3.575 30 20 CHED CCC/C(C)=C\C(=O)N[C@](C)(C#N)CCc1ccccc1 732105993 PWFLMMSQWRMJIY-OJSRQPNCSA-N 284.403 3.764 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H](C)CC1CCCC1 733954138 UAWKMJNAAZYQFL-CQSZACIVSA-N 264.413 3.601 30 20 CHED N#CCCCCOC(=O)c1ccc(Cl)c(Cl)c1O 730360272 DRHHYMWGFWBHFQ-UHFFFAOYSA-N 288.130 3.550 30 20 CHED COc1ccc(NN=C2CCC[C@@H](SC)C2)cc1 901205276 FFFILKRSBUTBTQ-CQSZACIVSA-N 264.394 3.769 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ccc(F)cc1C#N)CO2 589585554 MKIVVBCRIWWZHW-OAHLLOKOSA-N 268.291 3.551 30 20 CHED COc1cccc(OCCCCC2(C#N)CCC2)c1C=O 901447105 YYDPUKWTTMSATJ-UHFFFAOYSA-N 287.359 3.751 30 20 CHED CC[C@@H](NCc1cn2ccsc2n1)c1cccc(C#N)c1 902769270 WTLOKSVXOTXPLE-OAHLLOKOSA-N 296.399 3.508 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21 664472219 KRFYZRHITOLGMA-BRWVUGGUSA-N 298.430 3.616 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC(C)(C)c2ccccc21 583524798 FZJJDSJBFYISCA-AWEZNQCLSA-N 287.403 3.682 30 20 CHED c1ccc(C2CCC(=NNc3ccncn3)CC2)cc1 835003565 YHVLYZGNWHWGGX-UHFFFAOYSA-N 266.348 3.602 30 20 CHED N#CCCN(C(=O)C=C1CCCCC1)c1ccc(F)cc1 732094491 WYCYMAHJFHWJSP-UHFFFAOYSA-N 286.350 3.963 30 20 CHED N#C[C@H]1CCCN(C(=S)Nc2ccc3ccccc3c2)C1 905641833 SQIYYXSHDPYYQR-CYBMUJFWSA-N 295.411 3.772 30 20 CHED C=CCC1(C(=O)O[C@H]2CCOC(C)(C)C2)CCCC1 835336114 PXBFMDGEPYJRGN-ZDUSSCGKSA-N 266.381 3.624 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)c2ccc(C#N)n2C)cc1 837070658 ZQECIDVGLAGZNT-UHFFFAOYSA-N 295.386 3.508 30 20 CHED N#CCCCCCC(=O)N[C@H]1CCSc2ccccc21 588150462 VPPQYACKGPNHOE-AWEZNQCLSA-N 288.416 3.814 30 20 CHED Cc1ccc(C(=O)OCC(C)(C)CC#N)c(C(C)C)n1 835302596 BRGKAKMJPHHRJQ-UHFFFAOYSA-N 274.364 3.610 30 20 CHED C#CCOc1ccccc1CNC(=O)[C@@H](CC)CCCC 734106595 GHULZKNZPXHFOX-HNNXBMFYSA-N 287.403 3.531 30 20 CHED C[C@H]1CN(c2nc3c(cc2C#N)CCC3)Cc2ccccc21 916992871 COGDPFIRIOLIKB-ZDUSSCGKSA-N 289.382 3.566 30 20 CHED C[C@@H](C#N)N(CCOc1cccc2ccccc12)C1CC1 595713263 GRNBCQBMPJWSEP-AWEZNQCLSA-N 280.371 3.595 30 20 CHED CCCCCCOC(=O)/C=C\c1ccccc1C#N 915385124 TYEHQJLHGQBIRC-KHPPLWFESA-N 257.333 3.695 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(OCC3CC3)cc2)C1 839051418 XHGQLBZUDCNQGQ-RHSMWYFYSA-N 299.370 3.715 30 20 CHED N#CCCCCNC(=O)CCc1c(Cl)cccc1Cl 593975305 MPANTQBAFZANLW-UHFFFAOYSA-N 299.201 3.736 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C1CCCCC1)C1CCC1 592881780 OILKKDKEPVCNHN-KRWDZBQOSA-N 299.418 3.674 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](OC(=O)CCCCCC#N)C1(C)C 839096912 PKZUOGSTWXPDIM-UONOGXRCSA-N 295.423 3.986 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cccc(C3CC3)c2)n1 598856439 HBKNIGSUIUQXAR-UHFFFAOYSA-N 291.354 3.700 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)CC1(C#N)CCCCC1 597269651 VXWCRQQEEAJIQZ-KBPBESRZSA-N 276.424 3.791 30 20 CHED C=C(C)COC(=O)[C@H](C)CCc1cccc(F)c1 744040526 QFMLUOVZQCNJHQ-GFCCVEGCSA-N 250.313 3.514 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 748149480 ZKUNGOGYTLVRIN-YVMONPNESA-N 297.310 3.813 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1/N=C\c1ccccc1O 741465625 WOJGXUDKFYFRQH-CVAFCFIJSA-N 251.329 3.541 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1C[C@H](C)C(F)(F)[C@H](C)C1 599060797 ZHVTUQBKYSGSML-XQQFMLRXSA-N 278.346 3.842 30 20 CHED N#CC1(COC(=O)CCc2c(Cl)cccc2Cl)CC1 847708958 MZFPJBWJPNEHHY-UHFFFAOYSA-N 298.169 3.773 30 20 CHED N#CC1(Cc2nc(Cc3ccccc3)no2)CCCCC1 594730624 SXKQSRICKYRDTF-UHFFFAOYSA-N 281.359 3.677 30 20 CHED Cc1nc(C#N)c(NN=Cc2ccc(-c3ccccc3)o2)o1 917554148 FQROJGIKOSPUKK-UHFFFAOYSA-N 292.298 3.561 30 20 CHED C=CCOc1ccc(-c2nc(Cc3ccccc3)no2)cc1 598535087 XVOVQLXWXVHKEU-UHFFFAOYSA-N 292.338 3.892 30 20 CHED CCC(=O)c1cccc(N[C@H](C#N)Cc2ccccc2)c1 676347868 IFGKDYRVAXDUNV-KRWDZBQOSA-N 278.355 3.826 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](N(CC)CC)C1 742901812 QWOWNTANDCEROW-INIZCTEOSA-N 282.472 3.680 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 593546641 IDJKWPGUZPHPBQ-RDJZCZTQSA-N 284.403 3.974 30 20 CHED CO[C@@H](C=NNc1ccc(F)c(F)c1F)CC(C)C 841641696 ZXVZLXWNZXCLAB-SECBINFHSA-N 274.286 3.563 30 20 CHED CC/C(=C\C(=O)Nc1ccc(C#N)cn1)c1ccc(C)cc1 741558552 JEPBMRKUMVDHBF-XNTDXEJSSA-N 291.354 3.694 30 20 CHED C=CCC(CC=C)C(=O)NCCCCc1ccccc1 675150535 XBCUFDOIWVGXFQ-UHFFFAOYSA-N 271.404 3.894 30 20 CHED C=C(CNCc1ncccc1C(F)(F)F)c1ccccc1 677964763 OWUJRVQZOMHFOC-UHFFFAOYSA-N 292.304 3.903 30 20 CHED COCCCCCON=Cc1ccc(C(C)C)cc1 742350831 KTCNVYQNPSNMLJ-UHFFFAOYSA-N 263.381 3.977 30 20 CHED C=CCc1ccccc1OCC[C@@H]1CCCCN1C 915667295 MRAJXYCVMZHYEP-INIZCTEOSA-N 259.393 3.668 30 20 CHED C=CCN(C(=O)NCCc1cccc2ccccc12)C(C)C 918067795 URADZTPDRRYCDK-UHFFFAOYSA-N 296.414 3.988 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2ccc(C(F)F)cc2F)C1 597900804 DRFNWJJVIROUCZ-SNVBAGLBSA-N 296.292 3.529 30 20 CHED c1ccc2[nH]c(NN=C3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)nc2c1 915915645 TWMDXMGUYWPZJS-XQHKEYJVSA-N 280.375 3.787 30 20 CHED Cc1ccc(C2(C(=O)[C@@H](C#N)c3ccccn3)CCC2)cc1 842683911 FRVDLPGQEFCGMV-INIZCTEOSA-N 290.366 3.688 30 20 CHED N#Cc1ccc(CCN2CCC[C@@H]2c2ccsc2)cc1 595294749 DSJITFMYXQAACZ-QGZVFWFLSA-N 282.412 3.999 30 20 CHED C=C[C@H](C)ONC(=O)C1(Sc2ccccc2)CCCC1 846546158 SHQBGKTWUANOHP-ZDUSSCGKSA-N 291.416 3.714 30 20 CHED C=CCN(Cc1cccs1)CC1(Br)CC1 846762038 DNMZZKADPNDFTG-UHFFFAOYSA-N 286.238 3.664 30 20 CHED COCc1cccc(C=NNc2ccc(C)cc2)c1 743417401 IITBTXQDPIUCIO-UHFFFAOYSA-N 254.333 3.587 30 20 CHED C=C(C)CNC(=S)Nc1cc(C(C)(C)C)ccc1OC 916112236 XWLUBCWNVJKCJD-UHFFFAOYSA-N 292.448 3.855 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(-c3ncco3)cc2F)C1 595623545 SYJIVEMQJGDNPO-CYBMUJFWSA-N 299.349 3.606 30 20 CHED C1=CC[C@H](C=NNc2ncnc3sc4c(c23)CCC4)CC1 916309112 FLEUWPOODSQNSH-NSHDSACASA-N 298.415 3.934 30 20 CHED C=C[C@H](C)ONC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 846556132 YEPHZCSFJNZNFL-MELADBBJSA-N 273.376 3.598 30 20 CHED C[C@@H](C#N)OCCSCCC1(C#N)CCCCC1 842183860 PBMWALOYJXEPFL-ZDUSSCGKSA-N 266.410 3.512 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C3CC3)cc2)no1 844550887 PJUZEOIWPZOVES-RUDMXATFSA-N 253.301 3.757 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(C)cc1 742375161 JXQVPTUTNLZEFW-UHFFFAOYSA-N 269.319 3.758 30 20 CHED C#CC[C@H](NC(=O)N(C)Cc1cccs1)c1ccccc1 757058302 QDUAYVQQGZAKPY-INIZCTEOSA-N 298.411 3.654 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(OC(C)C)cc1 859444301 JMQWRFXQWNLAJU-UHFFFAOYSA-N 275.348 3.709 30 20 CHED CCCCCCCNC(=O)NC[C@H](C)c1nc(C)cs1 858112683 RIXLFUZJOJBIGC-LBPRGKRZSA-N 297.468 3.825 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(C)ccc2OC)c1 920942494 GMDZULLOVDWHGK-UHFFFAOYSA-N 285.343 3.859 30 20 CHED Fc1ccc(/C=C\C=NO[C@H]2CCCCO2)c(F)c1 758130641 XORWNNIGBGBNNB-WCDKZVTISA-N 267.275 3.507 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCc2cc(F)ccc21 924843217 JSUMFNUILHCCMB-XHDPSFHLSA-N 260.356 3.731 30 20 CHED CCCn1nccc1/C=C1\C(=O)c2ccccc2[C@@H]1C 853007788 DWHMXCQANBVEIK-IEMQHYRPSA-N 266.344 3.677 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H](C)c1ccccc1F 929932527 CVBVJGIPBQFZBK-OLZOCXBDSA-N 263.356 3.947 30 20 CHED CCCn1nccc1/C=C\C(=O)c1sccc1C 853006504 SYLGDTKPAFVJNX-PLNGDYQASA-N 260.362 3.559 30 20 CHED COc1ccc2cc(NC[C@H](O)CC(C)(C)C#N)ccc2c1 857243260 YTBWDQGYKVXQQX-MRXNPFEDSA-N 298.386 3.561 30 20 CHED CCOc1ccc(N(C)Cc2ccc(F)c(C#N)c2)cc1 758714385 ILKCPDGPNGPXGW-UHFFFAOYSA-N 284.334 3.732 30 20 CHED COc1cc(F)cc(NN=C(C)c2cccc(C)c2)c1 759212982 SGTHHNKTAXOBKY-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C#CCN(C(=O)Nc1cc(SC)ccc1Cl)C(C)C 931891924 FHTHPCGBGZOXHZ-UHFFFAOYSA-N 296.823 3.937 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2c[nH]c3cc(C)ccc23)C1 855438057 AESIIBAFTCWQAB-OAHLLOKOSA-N 296.414 3.834 30 20 CHED C#CCCCOc1cc(F)c(Br)cc1C(C)=O 766750408 GJYMMQPFIHGUEF-UHFFFAOYSA-N 299.139 3.583 30 20 CHED CCCCCCCOC(=O)c1ccc(OC)c(Cl)n1 766780851 TUYJFZAADSIUHV-UHFFFAOYSA-N 285.771 3.871 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(Br)cc1 767648935 ZJUGGXMLENLYOQ-UHFFFAOYSA-N 295.176 3.542 30 20 CHED COc1cccc(C(C)=NNc2c(C)cccc2F)c1 769840571 LVUYYXVFIZTXSV-UHFFFAOYSA-N 272.323 3.979 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1csc(C(C)C)n1 768776426 NLMVGOSPJOKQJG-UHFFFAOYSA-N 294.811 3.573 30 20 CHED C#C[C@H](C)N(C)CCCCOc1cccc(C(F)(F)F)c1 769962094 BFQWJKCAALIYMC-ZDUSSCGKSA-N 299.336 3.818 30 20 CHED C[C@H]1CCCC(=NNc2ccnc(Br)c2)C1 769804389 HMXSJRVIPOMWLB-VIFPVBQESA-N 282.185 3.822 30 20 CHED CCc1ccccc1CCN(CCC#N)CC(C)C 769730077 RKDBCVCTCNJUDM-UHFFFAOYSA-N 258.409 3.663 30 20 CHED C=CCCOC(=O)[C@@H](C)c1ccc(Br)cc1 766619662 UXWBUWITKZELFU-JTQLQIEISA-N 283.165 3.672 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccnc(-c2ccccc2)c1 767074774 FRWMHSBLJSAGDF-UHFFFAOYSA-N 278.355 3.737 30 20 CHED C=CCCCCCCNC(=O)c1cc(C=O)ccc1F 861697741 UOIHQEXDTKJTMH-UHFFFAOYSA-N 277.339 3.505 30 20 CHED CC(C)(C#N)CCCCOC(=O)C(C)(C)c1cccnc1 768819108 LENWKAQSGGRBEX-UHFFFAOYSA-N 288.391 3.622 30 20 CHED COc1ccc(COc2ccc(C#N)c(F)c2)cc1C 864046630 JTDRIBWPRUSACB-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)OCc1ccc(C#N)cc1F 769177210 HZQLWCHGJNAZBT-YPMHNXCESA-N 275.323 3.567 30 20 CHED CC(Cc1ccncc1)=NNc1c(F)cccc1Cl 769828528 HDQQXOJCGMPGDW-UHFFFAOYSA-N 277.730 3.905 30 20 CHED C[C@@H](Oc1ccccc1)C(=O)OCCCCC(C)(C)C#N 768363774 RSXHVKDZKJKQOB-CQSZACIVSA-N 289.375 3.717 30 20 CHED Cc1cc(OC(=O)c2cc(F)c(F)cc2F)ccc1C#N 765092757 BORRYCYTMBURPC-UHFFFAOYSA-N 291.228 3.503 30 20 CHED COc1ccc([C@@H](C)C=NNc2ccccc2C(=O)O)cc1 768353997 DENBSSJPGZWVED-LBPRGKRZSA-N 298.342 3.595 30 20 CHED CC1(C)C(=NOC2CCCCC2)[C@H]2CCCO[C@H]21 777460458 XUIQZSFVOORUCK-TZMCWYRMSA-N 251.370 3.527 30 20 CHED CC(C)=CCOC(=O)c1ccc(C(F)(F)F)cc1C#N 775280825 PMOUMAOCKDNNPT-UHFFFAOYSA-N 283.249 3.700 30 20 CHED N#C[C@@H](OC(=O)c1c(F)cccc1F)C1CCCCC1 776359302 GYPTZTHEQDJBRX-CYBMUJFWSA-N 279.286 3.594 30 20 CHED Cc1cccc(F)c1CN[C@@H](C)c1ccc(C#N)c(F)c1 776741566 VRIUSVWOHMDZGO-LBPRGKRZSA-N 286.325 3.996 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CC[C@H](C)C1 774040938 PXFKUBKEOMZVKB-HOTGVXAUSA-N 283.456 3.747 30 20 CHED Cc1ccc2c(c1)CCN2Cc1cccc(C#N)c1F 774774421 HPCBFOOBRZEWHC-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](CC(F)(F)F)C(C)C 879667437 QDCKNWNTNOHWQN-SNVBAGLBSA-N 265.319 3.682 30 20 CHED CCC(=NN[C@@H]1CCCCC1(C)C)c1c(C)nn(C)c1C 773126216 SAROBRFGNKYLLZ-OAHLLOKOSA-N 290.455 3.709 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2ccncc2)cc1F 776188431 OYKHAIWHHKOMAE-VURMDHGXSA-N 298.361 3.963 30 20 CHED C=CCCCC(=O)OCc1noc(C2CCCCC2)n1 773173547 KSNRTDMJEDIVSL-UHFFFAOYSA-N 278.352 3.517 30 20 CHED O=C(/C=C/c1c(F)cccc1Cl)c1cscn1 776190666 ATRRTXBRZGPINS-SNAWJCMRSA-N 267.712 3.832 30 20 CHED C#CCCCCCC(=O)N[C@H](C)Cc1ccc(C)s1 779917266 MNAYYMVCWQULOE-CYBMUJFWSA-N 277.433 3.687 30 20 CHED N#CCc1ccc(COC(=O)CCC2CCCC2)cc1 776111686 MJBYOGNZKIOLSM-UHFFFAOYSA-N 271.360 3.766 30 20 CHED C[C@H]1CCC[C@H](CC(=O)OCCC(C)(C)C#N)C1 776383731 XRANOEOVFZAUPI-STQMWFEESA-N 251.370 3.686 30 20 CHED C=CCC[C@@H](NCc1nc2cc(F)ccc2n1C)C1CC1 773000399 OZLBHYRTKVBSMC-CQSZACIVSA-N 287.382 3.547 30 20 CHED C[C@@H]1CCC[C@H](C(=O)OCc2ccc(CC#N)cc2)C1 776111311 DHKMYKUCJHXPLY-CJNGLKHVSA-N 271.360 3.622 30 20 CHED N#CC[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 1124425998 OLRKIAPFYALRMU-OAHLLOKOSA-N 298.773 3.654 30 20 CHED Clc1ccnc(NN=Cc2cc3ccccc3o2)c1 777905801 MJECJFSGIJQRBI-UHFFFAOYSA-N 271.707 3.927 30 20 CHED C=CC(C)(C)CC(=O)Nc1cncc(Cl)c1Cl 889881449 CGIHSBJTEABHLR-UHFFFAOYSA-N 273.163 3.929 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(Cl)n1 786644208 NOSHYTWKDGJNHM-LBPRGKRZSA-N 273.163 3.929 30 20 CHED CCc1ccc(C(C)=NN[C@H]2CCOC(C)(C)C2)cc1 780251397 BQHOGQUMDHEJJD-INIZCTEOSA-N 274.408 3.520 30 20 CHED Cc1ccc(C[C@H](NCc2ccc(C#N)cn2)C(C)C)cc1 783299924 GZDRJAPWKALXOG-IBGZPJMESA-N 293.414 3.619 30 20 CHED CCCCCCCCCC(=O)N(C)Cc1cccc(O)n1 887155396 AMEPJHURVVAIFX-UHFFFAOYSA-N 292.423 3.886 30 20 CHED N#Cc1ccc(N[C@@H]2CCCc3ccccc32)c(CO)c1 891426732 MWTSVIAQOIAZBV-GOSISDBHSA-N 278.355 3.540 30 20 CHED Cn1ncc(Cl)c1C=NNc1ccc(C(C)(C)C)cc1 780243537 UYFFGFLUFQHEBV-UHFFFAOYSA-N 290.798 3.817 30 20 CHED C#CCC1(C(=O)NCc2cscc2C)CCCCC1 785642121 NPHJXLRAJMPTBB-UHFFFAOYSA-N 275.417 3.647 30 20 CHED Cc1cccc2c1OCC[C@@H]2OC(=O)c1ccc(C#N)s1 789497762 NTQGUAYSSPEODU-ZDUSSCGKSA-N 299.351 3.609 30 20 CHED C=C1CN(C(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)C1 898699863 UDVUJZKVHKLPJG-GDBMZVCRSA-N 279.424 3.541 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)c1cccc(C)c1 799304688 YKOQFPMBHIKSRJ-UHFFFAOYSA-N 278.355 3.842 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC)Cc1cccc(Cl)c1 791069154 IIDWUZJYBJSUCR-OAHLLOKOSA-N 292.810 3.673 30 20 CHED CC(C)O[C@@H](C=NNC1CCCC1)c1ccccc1 793003895 FBMTXVMEVOWHFH-INIZCTEOSA-N 260.381 3.671 30 20 CHED C=CCCCOC(=O)C[C@H](CC#N)c1ccccc1 795989473 GQAWMGGRGHACJT-HNNXBMFYSA-N 257.333 3.583 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1CCC(F)(F)C1 796376420 HZMUVFIKCXWYJE-LLVKDONJSA-N 273.323 3.685 30 20 CHED Cc1cccn2cc(C(=O)Nc3ccc(F)c(C#N)c3)cc12 1136582140 WCRVOMOFZPMPLM-UHFFFAOYSA-N 293.301 3.511 30 20 CHED CC(C)(C)OC(=O)c1cccc(CON=C2CCC2)c1 799961162 CQRGKJWWSQPZEX-UHFFFAOYSA-N 275.348 3.698 30 20 CHED CCCCN(CC(F)(F)F)C(=O)c1ccc(C)c(C#N)c1 799308477 KHHXSSPOZHAKCC-UHFFFAOYSA-N 298.308 3.671 30 20 CHED COc1ccc2c(c1)C(=NNc1cccc(Cl)n1)CC2 793163187 YMADUEGHWNNTQT-UHFFFAOYSA-N 287.750 3.506 30 20 CHED C=CCC1(C(=O)NCc2cccc(OC(C)C)c2)CCC1 790358974 IIWVLFSKZCXJPV-UHFFFAOYSA-N 287.403 3.836 30 20 CHED C=CCCC(=O)Nc1cc2ccccc2cc1C(=O)OCC 790331364 JAFGORLMSVLHFC-UHFFFAOYSA-N 297.354 3.921 30 20 CHED Cc1cc(C)nc(CSc2ccc(C#N)cc2)c1 1307292076 GAIWESHVFMTCEX-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CS[C@@H](CNCc1cccc(F)c1C#N)C(C)(C)C 1308685322 OBQMEVVQVLKVEB-AWEZNQCLSA-N 280.412 3.565 30 20 CHED COc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1O 1084639750 UJIZUHAXSSCYHY-UHFFFAOYSA-N 290.750 3.809 30 20 CHED Cc1ccnc(N[C@@H]2C[C@H]2C2CCCCC2)c1C#N 1185555708 WQQLPMPXIRFMHB-DZGCQCFKSA-N 255.365 3.642 30 20 CHED C[C@H]1COc2ccccc2[C@@H]1OC(=O)c1csc(C#N)c1 1328236683 XKBRWQPYJWEHGY-ZUZCIYMTSA-N 299.351 3.546 30 20 CHED N#CCc1cccc(NC[C@H]2CCCCC(F)(F)C2)n1 1324104384 YCPCFNVBFDKUKC-LBPRGKRZSA-N 279.334 3.775 30 20 CHED Cc1nc(C)c([C@@H](C)N(C)Cc2cccc(C#N)c2)s1 171589065 ADVHISSMLGFKSL-GFCCVEGCSA-N 285.416 3.825 30 20 CHED CC(C)N(CCCCCF)Cc1ccc(C#N)cc1 551696486 GEQOEGVYSNKLFM-UHFFFAOYSA-N 262.372 3.908 30 20 CHED C=CCCCCNC(=O)[C@H](C)c1ccc(F)cc1F 1321284106 DLMDQYHVSGQQPO-LLVKDONJSA-N 267.319 3.541 30 20 CHED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1nccs1 80260939 BOSALRNPTSPXRJ-SMDDNHRTSA-N 271.389 3.817 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)CCCC#N 1327658229 UOVVBQXVWRQXFA-KFWWJZLASA-N 264.413 3.505 30 20 CHED Cc1cccc(-c2nnc(-c3ccc(C#N)cc3)o2)c1 1253613289 WWOAVTPJWLILAZ-UHFFFAOYSA-N 261.284 3.584 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCC2CCC2)c1 749376418 VKPBGSVBXYUKQT-UHFFFAOYSA-N 255.361 3.601 30 20 CHED Cc1cnc(CSc2ccc(C#N)c(C)c2)s1 1189582541 HZQYAWARFLCBLX-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C(=NNc1cnc2ccccc2n1)c1ccc2c(c1)CCC2 1252256765 SLYHAWNOZBIJIW-UHFFFAOYSA-N 288.354 3.565 30 20 CHED C=C(C)CCC(=O)N(Cc1ccccn1)C(C)(C)C 1337520655 GXUGKBWVVPABGD-UHFFFAOYSA-N 260.381 3.565 30 20 CHED C=C[C@@H](C(=O)N1CCC(F)(F)C[C@@H]1C)c1ccccc1 1347352716 QVTGIMNOALQJTI-GXTWGEPZSA-N 279.330 3.602 30 20 CHED COc1cc2ccccc2cc1C(=O)O[C@H]1CC[C@@H](C#N)C1 1344016364 FENXMEJQWVNWFQ-DOMZBBRYSA-N 295.338 3.697 30 20 CHED C=C(C)CCC(=O)Nc1cccc(Br)c1F 1347191533 WAKCTYJUZSNNLN-UHFFFAOYSA-N 286.144 3.883 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1cccc(CC#N)c1 1436284487 GPHSUNZULXTVAS-CQSZACIVSA-N 278.355 3.803 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC1(C)CCC(C)CC1 1436141607 UHOSDLACXUVXNE-UHFFFAOYSA-N 284.403 3.813 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(CC)c(Cl)c1 804649467 ZIYPEIQYGADRRG-UHFFFAOYSA-N 263.768 3.890 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)c1ccc(Cl)cc1 1350857222 GWSSWCLXEOQJKY-IAQYHMDHSA-N 290.794 3.642 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)CC1CCCCC1 1436139494 YVWNHOBOPUATCX-ZDUSSCGKSA-N 284.403 3.955 30 20 CHED Cc1sccc1CC(=O)Nc1ccc(Cl)cc1C#N 1437645006 AJEYTKZOELQSRD-UHFFFAOYSA-N 290.775 3.763 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2ccsc2C#N)CC1 1529481323 XMDPHZYAKTYUDZ-LBPRGKRZSA-N 290.432 3.908 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(C)(CC(C)C)CC1 1450760063 PBOBBBXUWPOBBI-UHFFFAOYSA-N 278.440 3.991 30 20 CHED C=C(CNC(=O)c1cnc2ccccc2c1)c1ccccc1 1524587779 QHKWCPQRNAOPBG-UHFFFAOYSA-N 288.350 3.678 30 20 CHED CC1(CC(=O)Nc2ccc(C#N)c(F)c2)CCCCC1 1527516686 QNOJIQGZHUTXBS-UHFFFAOYSA-N 274.339 3.996 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ccc(C(=O)O)o1 1605266878 NBLMZRIDIDAVSE-LBPRGKRZSA-N 295.379 3.704 30 20 CHED N#Cc1nc(C(=O)O)ccc1Nc1ccc(C2CCC2)cc1 1601134863 RERSGOUGNAZDNS-UHFFFAOYSA-N 293.326 3.663 30 20 CHED CC1(C)CC=C(C(=O)Nc2ccc(F)c(C#N)c2)CC1 1626695932 MFULQKWAFCXNMK-UHFFFAOYSA-N 272.323 3.772 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)c1c(F)cccc1F 1620598283 WHOQHSHULBHEOX-GFCCVEGCSA-N 286.325 3.730 30 20 CHED Cc1cc(C)c([C@@H](C)N2CCC[C@@H](C#N)C2)c(C)c1 1560130246 NWHWDCXZBBCIJB-CVEARBPZSA-N 256.393 3.908 30 20 CHED CC(C)CC[C@H]1CCCCN1c1ncc(C#N)cc1F 1642435783 QHSHRQWKAGIDLX-CQSZACIVSA-N 275.371 3.887 30 20 CHED N#Cc1cccc(COC(=O)/C=C/c2ccc(Cl)cc2)c1 6065035 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C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1cccc(C#N)c1 153731627 AFMGHVSIUAPBLU-WFASDCNBSA-N 272.392 3.555 30 20 CHED C[C@@H](C#N)Oc1ccc(-c2nc3c(F)cccc3n2C)cc1 154513671 XFTRKSUXHOJSOZ-NSHDSACASA-N 295.317 3.670 30 20 CHED CC#CCCN(C)Cc1ccc(OC(F)F)c(OCC)c1 155094083 YAOXHJXNBQONTJ-UHFFFAOYSA-N 297.345 3.532 30 20 CHED CC(C)(CCC#N)CNc1cccc(Cn2cccn2)c1 156466802 SFNDQSXUAFZWLT-UHFFFAOYSA-N 282.391 3.673 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](C)c1ccc(F)cc1F 157173280 JXULNSBKORGPMF-GFCCVEGCSA-N 281.346 3.883 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(CC)CC 159025902 KEUBOEMMWQFRIU-UHFFFAOYSA-N 284.403 3.899 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1C[C@@H]1c1sccc1C 161311481 PEKXWWSYSKGWRS-STQMWFEESA-N 263.406 3.585 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)CC1(C)CCCCC1 163169905 JISHTVALKBEEIP-UHFFFAOYSA-N 284.403 3.877 30 20 CHED C=C(C)CCNc1ccc(C#N)c(C(F)(F)F)c1 164425864 AQASXQQQQRKVIQ-UHFFFAOYSA-N 254.255 3.955 30 20 CHED CCCCCCCS(=O)(=O)Cc1ccc(C)cc1 164582048 IFVZBRPDPJFTMO-UHFFFAOYSA-N 268.422 3.880 30 20 CHED CC[C@@H](C)c1ccc(OS(=O)(=O)CCCCC#N)cc1 171954182 UKHDINXAFXIOHG-CYBMUJFWSA-N 295.404 3.603 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccc(OC)cc1 172685197 UEANJXPRWQLUSG-UHFFFAOYSA-N 290.407 3.583 30 20 CHED N#CCC1(COC(=O)c2cccc(C(F)(F)F)c2)CC1 174748937 VCKKOLVAEPLWNF-UHFFFAOYSA-N 283.249 3.556 30 20 CHED C[C@@H](OC(=O)Cc1ccccc1F)c1ccc(C#N)cc1 175789572 NLYKITBGAVBFHM-GFCCVEGCSA-N 283.302 3.544 30 20 CHED C=CCCCC(=O)NC(C)(C)CCc1ccccc1 177810196 MBAGQQQXWDCQLJ-UHFFFAOYSA-N 259.393 3.870 30 20 CHED C=C(Cl)CSCc1csc([C@H](C)OC)n1 177903159 RVTJVPXQMJHSFN-QMMMGPOBSA-N 263.815 3.836 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(C(C)C)on2)C(C)C)c1 179295816 YSNQWIIGFRALGQ-UHFFFAOYSA-N 296.370 3.835 30 20 CHED C#CCCCCC(=O)Nc1nc2ccccc2n1CCC 179981884 WHRDGUSLJQASKU-UHFFFAOYSA-N 283.375 3.578 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1C(F)(F)F 180018942 BSUBQALXDFPNPB-UHFFFAOYSA-N 272.270 3.745 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CCC)c1ccccc1 180399375 MUFWHOSGXNNKTP-HNNXBMFYSA-N 260.381 3.745 30 20 CHED C=C(C)CN(C)Cc1cnc(C2CCCC2)s1 181050916 IYCZZAPTAQYREN-UHFFFAOYSA-N 250.411 3.809 30 20 CHED C=CCN1C(=O)/C(=C/c2cc(F)ccc2C)SC1=S 182049957 YLYBQWIUAHXBJD-WQLSENKSSA-N 293.388 3.521 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 182922549 SNHBIVVSNFTVNP-UONOGXRCSA-N 284.403 3.731 30 20 CHED CC[C@@H](CC#N)NC(=O)CSc1ccc2ccccc2c1 183919511 HYJVPALRWUKGRL-HNNXBMFYSA-N 298.411 3.740 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 185733920 SOEHHOBXZXACSE-WFASDCNBSA-N 287.363 3.749 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 188826986 GARIEIODBGUFGQ-WMLDXEAASA-N 296.414 3.940 30 20 CHED N#Cc1ccc(SCC[C@@H]2CCCO2)c(Cl)c1 189065597 FUSDBVJEYHOKRJ-NSHDSACASA-N 267.781 3.873 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCCCC2)cn1 190951387 TVDMFTJYCRQPOD-KRWDZBQOSA-N 287.407 3.613 30 20 CHED C=CCC[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 191448686 JAAIVLGLBGFQCA-SFHVURJKSA-N 279.387 3.694 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)cc2SC)CCC1 191554799 HKCGSPUEHMHNLC-UHFFFAOYSA-N 277.389 3.799 30 20 CHED C#CCCCC(=O)N(CC)c1cccc2ccccc12 192167945 WTCNOHMOFZYFNY-UHFFFAOYSA-N 265.356 3.996 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(N(C)C)cc1 193018564 IKIUAMYVUKXOGJ-UHFFFAOYSA-N 296.370 3.570 30 20 CHED C=CCSCC(=O)N(CC)[C@H](C)c1ccc(F)cc1 193709136 WXBTZQIKWMOSMZ-GFCCVEGCSA-N 281.396 3.654 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc3c2CCC3)s1 194348263 DPLYIXVUGHLCJA-UHFFFAOYSA-N 296.395 3.923 30 20 CHED C=CCCCCCNc1cc(OC)ccc1NC(C)=O 195448088 BCAFITXMRUQXFA-UHFFFAOYSA-N 276.380 3.812 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(N(C)C)cc1 211392670 CRNXRBUPPZMCAY-RAXLEYEMSA-N 265.356 3.957 30 20 CHED C[C@@H](NCc1ccccc1C#N)c1c(F)cccc1F 229804632 VFYMWEXIGNYWCX-LLVKDONJSA-N 272.298 3.687 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(OCC#N)cc2)C1 252142961 NMEKBMYSLXPIEG-NHAGDIPZSA-N 258.365 3.826 30 20 CHED CC[C@@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)CC1 255074599 WIYOTXVCHPSZGN-FJVVXJACSA-N 282.387 3.610 30 20 CHED N#Cc1csc(/C=C2/CCc3cc(F)ccc3C2=O)c1 255541350 PSJSEUCHERGVLU-GHXNOFRVSA-N 283.327 3.971 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(C#N)c2)ccc1F 255843490 LVDRAQAIQACGKQ-VURMDHGXSA-N 265.287 3.902 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc(Cl)s1 264097368 TVWXTJWXDCWSIH-UHFFFAOYSA-N 284.812 3.803 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1cccc(C)c1C 265793294 RCWIIXMNXOJHCJ-CYBMUJFWSA-N 263.406 3.940 30 20 CHED C[C@H](N[C@@H](CCO)C1CCCCC1)c1cccc(C#N)c1 271817268 BVYWIVVRZQVLSM-KSSFIOAISA-N 286.419 3.540 30 20 CHED Cc1c(C#N)c(SCCCCC#N)nc2c1CCC2 271859043 ILDSYLZJIJVTGO-UHFFFAOYSA-N 271.389 3.536 30 20 CHED C[C@@H](CNCc1ccc(OCC#N)cc1)c1ccc(F)cc1 272092733 OOWULDXOOWIRDS-AWEZNQCLSA-N 298.361 3.621 30 20 CHED COc1ccc([C@H]2CCCN2c2nccc(C)c2C#N)cc1 272975347 CGDOUFDCWDOZJQ-QGZVFWFLSA-N 293.370 3.612 30 20 CHED Cc1cncc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 274676542 ZDFFQNGALMTWOA-KGLIPLIRSA-N 265.360 3.674 30 20 CHED N#CCCCN[C@H](c1ccc(Br)s1)C1CC1 275963354 WBBQWQSIAJYMNW-LBPRGKRZSA-N 299.237 3.855 30 20 CHED C=CCCN(C)C(=O)NCc1oc2ccc(F)cc2c1C 276072401 KBKIOXRHSDPMRW-UHFFFAOYSA-N 290.338 3.598 30 20 CHED C#CCN(C)C(=O)Nc1ccc(SC2CCCC2)cc1 278645939 VRSYJSKESNXJEL-UHFFFAOYSA-N 288.416 3.818 30 20 CHED Cc1ccc(-c2ccncc2)cc1NC(=O)CC(C)(C)C#N 278674715 HAWZTMQTSFHABK-UHFFFAOYSA-N 293.370 3.935 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1nc(C(F)(F)F)cs1 278884314 WRYZPWWDGHUDQQ-SSDOTTSWSA-N 298.293 3.602 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCCCC(F)(F)F)cc1 280108269 LDOUSODDJNWMPP-UHFFFAOYSA-N 298.308 3.560 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 280851799 ABIMGKMZTPNGKU-RMKNXTFCSA-N 299.330 3.577 30 20 CHED C=CCC(CC=C)C(=O)NCCCCCCSC(C)=O 281429652 BPOPAINQPJKDMZ-UHFFFAOYSA-N 297.464 3.711 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(-c2cc[nH]n2)c1 281900530 ICGFQAWLHOHWTD-ZDUSSCGKSA-N 284.363 3.553 30 20 CHED C=CC[C@H](C(=O)NCCCSCC)c1ccccc1 282750203 UOSQKMOZMNTMNB-HNNXBMFYSA-N 277.433 3.606 30 20 CHED N#CC1(C(=O)Nc2ccc3c(Cl)cccc3n2)CCC1 285877824 CZJDOCZCYPXHLL-UHFFFAOYSA-N 285.734 3.521 30 20 CHED CC(C)SCC/N=C/c1cc2ccccc2nc1O 286552327 QFFUKXHHNDZDQI-MHWRWJLKSA-N 274.389 3.501 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2ccnc(C#N)c2)n1 293113690 HDHNAMAHQNJJCY-RISCZKNCSA-N 282.347 3.687 30 20 CHED CC(F)(F)CCNc1ccc(C#N)cc1Br 294300460 UXSVVADKVQERAY-UHFFFAOYSA-N 289.123 3.778 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)CC1CC(F)(F)C1 295594902 TZAPRTZLPRIKNW-UHFFFAOYSA-N 278.346 3.814 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2cc(C)ccc2O)cc1 296571340 SXIAPJHNFWGDLJ-HNNXBMFYSA-N 295.382 3.563 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@@H](C)c1nnc(C)o1 297992416 XDNMWLHDECSJJV-VIFPVBQESA-N 297.811 3.842 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1snc(Cl)c1C#N 301536686 MWGGPBOHAWTQLO-KHQFGBGNSA-N 269.801 3.905 30 20 CHED CC(C)CCC1CCN(c2ncccc2C#N)CC1 301621258 FJIDIOLMTWYBLR-UHFFFAOYSA-N 257.381 3.606 30 20 CHED CC(C)CC[C@@H](NCc1cccc(C#N)c1)C1CC1 311611911 QOJUTLCDAHCBKY-QGZVFWFLSA-N 256.393 3.863 30 20 CHED C=CCCN(C)C(=O)c1ccc(F)c2ccccc12 311682034 CNXYXWKSUFCKIT-UHFFFAOYSA-N 257.308 3.627 30 20 CHED Cc1noc(C)c1C(C)(C)/N=C(/O)[C@H]1C[C@@H]1C1CC1 329152425 BHKMEBGUMUVCPR-NEPJUHHUSA-N 262.353 3.529 30 20 CHED Cc1noc(C2CC2)c1N=C(O)CC[C@H]1CCCCN1C 329530163 VOGWZCPZNQGRLR-CYBMUJFWSA-N 291.395 3.713 30 20 CHED C[C@@H]1C(=O)CC[C@H]1CC(O)=Nc1cnc2c(c1)CCCC2 330030274 RIHDVKYSTZYROY-RYUDHWBXSA-N 286.375 3.554 30 20 CHED CC1(C)C[C@]1(C#N)/N=C(/O)[C@H]1CCSc2ccccc21 330161931 UFXJSWKFDHCOIG-BLLLJJGKSA-N 286.400 3.915 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1CCO[C@H](C)C1 330187836 UCGVUHASNBDNMN-BXUZGUMPSA-N 299.374 3.788 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(CCC#N)Cc2ccccn2)C1 330569657 HZDIISZFYVPYLD-JKSUJKDBSA-N 299.418 3.540 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/C2(C)CCCC2)s1 330917935 MIWCGAFNLDAIEI-SNVBAGLBSA-N 282.409 3.878 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(F)c(Cl)c1 336564092 CAWZAHBVGAIVHM-UHFFFAOYSA-N 278.670 3.505 30 20 CHED CCCCOCCCNc1nc(C)c(C#N)cc1Cl 336815352 HQXWBHORFVEZON-UHFFFAOYSA-N 281.787 3.534 30 20 CHED C=CC[C@H](C)N[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 338777418 ZQHYJPJXMSOOKQ-RRQGHBQHSA-N 287.403 3.722 30 20 CHED CC(C)C[C@@H](C)CC(=O)N1CCc2ccc(C#N)cc21 339819246 BUJKPQQCJWQDES-CYBMUJFWSA-N 270.376 3.520 30 20 CHED C=CCC[C@H](Nc1cc(OC)ncn1)c1ccccc1 340014256 DKQDJGMSRDTBRF-AWEZNQCLSA-N 269.348 3.605 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)c2ccc(F)c(C#N)c2)C1 341553383 VNJTWPZDOQKIEM-CYBMUJFWSA-N 288.366 3.596 30 20 CHED CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(C)C 341759239 GWEGKOJKGXTONM-IAGOWNOFSA-N 256.393 3.960 30 20 CHED C=C1CCN(C(=O)c2ccc(OCC(C)C)cc2)CC1 342097024 RGNKUDKNEXOPAD-UHFFFAOYSA-N 273.376 3.514 30 20 CHED N#CCCCNC(=O)Nc1ccccc1Cc1ccccc1 344906436 BFMLIAMSXHPLPY-UHFFFAOYSA-N 293.370 3.703 30 20 CHED CC(C)[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CCO1 346136540 RELIWVQTJRIFKW-SQNIBIBYSA-N 286.419 3.825 30 20 CHED Cc1cc(CN(CC(C)C)c2ccc(C#N)cc2)on1 346640770 JWCWTSUAACLQHX-UHFFFAOYSA-N 269.348 3.517 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(Br)s1 349115894 XWQVGDILZNLMHE-UPHRSURJSA-N 291.173 3.948 30 20 CHED CCSCC[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 353259375 SFOLNZFKOCBOHB-BLLLJJGKSA-N 274.433 3.667 30 20 CHED C=CCOc1cccnc1-c1nc([C@H](C)C(C)(C)C)no1 356885199 WHPYPDIAEISIBF-NSHDSACASA-N 287.363 3.846 30 20 CHED CC1(C)CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 357134526 JCWLCKBSVMENJU-INIZCTEOSA-N 299.418 3.863 30 20 CHED COC(=O)c1ccc(Cl)c(CSCC2(C#N)CC2)c1 358296226 PYWYPBSARMRAKO-UHFFFAOYSA-N 295.791 3.664 30 20 CHED C=C(CC)CNc1ccc(C(=O)NC(C)C)cc1C 358648636 JQBJSNGSJGZXIP-UHFFFAOYSA-N 260.381 3.511 30 20 CHED CCC[C@H](CC)[S@](=O)Cc1ccc(CC#N)cc1 359429756 ISIWRFZIAFJNSL-MAUKXSAKSA-N 263.406 3.580 30 20 CHED N#Cc1c(F)cccc1OC[C@H]1CCCCC1(F)F 394500360 POSDKHJJKOMKSY-SNVBAGLBSA-N 269.266 3.902 30 20 CHED C=CCCC[C@@H](C)N[C@H](C(=O)OCC)c1ccccc1 398174389 MGDRBEJGRSLZLU-ZBFHGGJFSA-N 275.392 3.625 30 20 CHED Cc1cc(NCc2ccc(CC#N)cc2)ccc1F 398959517 LHRCGNIIMBXUGK-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(C#N)c(F)c2)o1 404771503 WZBOXOBEIHNSMQ-IAQYHMDHSA-N 284.334 3.704 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Cc1ccccc1Cl 410130457 LYSNHTGBNMCNRP-OCCSQVGLSA-N 279.811 3.990 30 20 CHED CCN(CCC1(C#N)CCCCC1)Cc1ccncc1 411427581 PBLOBKCPJSKRTG-UHFFFAOYSA-N 271.408 3.768 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](C)CC(F)F 411698553 MOLTWVAAGRBNAX-CYBMUJFWSA-N 281.346 3.535 30 20 CHED CO[C@@](C)(C1CC1)[C@H](C)Nc1nc(C)c(C#N)cc1Cl 413507738 CJFIAOJUHVMHOE-ZUZCIYMTSA-N 293.798 3.531 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cc2n(n1)CCC2 414304767 QWLFHWMTBFXNFI-NVXWUHKLSA-N 295.430 3.667 30 20 CHED C=CCC[C@H](NC(=O)NC[C@@H]1CC12CC2)c1ccccc1 416706045 WQYRQXYAEVFSJR-HOTGVXAUSA-N 284.403 3.793 30 20 CHED COc1ccc(CCSCC2(C#N)CCC2)cc1 419368191 YPTORBOFXVFYNZ-UHFFFAOYSA-N 261.390 3.665 30 20 CHED COc1ccccc1[C@H](CC(C)C)Nc1cncc(C#N)n1 420597547 IXWOZGNWAJCWGW-HNNXBMFYSA-N 296.374 3.556 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(C#N)c1C 421555692 IINJUTDWJFGRKQ-LLVKDONJSA-N 283.375 3.749 30 20 CHED CC1(C(=O)N2CCc3c(C#N)cccc32)CCCCCC1 421658066 RACXZOWXERKWHI-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@@H]1CC[C@H](C#N)C1 424326595 MEEMUUYYKZHAON-ZHRONYKTSA-N 272.367 3.731 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 424587177 GMYIMNQBCYJDDU-UHFFFAOYSA-N 275.348 3.735 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 425110364 AUTZCAPRCIUBIB-ZACQAIPSSA-N 299.414 3.577 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H]2CC[C@H](C)C2)c1C#N 428669841 KQUMZJZKNWPSTN-ONGXEEELSA-N 263.772 3.540 30 20 CHED Cc1c(C(=O)N(C)[C@@H](C)C2CC2)sc2ccc(C#N)cc12 429856705 ZFKXOJLLFDAZNE-NSHDSACASA-N 298.411 3.952 30 20 CHED CN(C)c1ccccc1CNc1ccc(Cl)c(C#N)c1 432438847 CXQUAVHCBUFMSC-UHFFFAOYSA-N 285.778 3.890 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCC(CC)(CC)CC 437262511 KNTFUWUYUJUGMH-GJZGRUSLSA-N 253.430 3.774 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(C#N)cs1 437570833 STJIAYCBGHJGKJ-STQMWFEESA-N 276.405 3.708 30 20 CHED C=CCN(Cc1ccc2nc(C)ccc2c1)C1CC1 437977260 KABJNQDMJOXVDA-UHFFFAOYSA-N 252.361 3.694 30 20 CHED N#Cc1ccc(CSc2ccccn2)c(OC(F)F)c1 439537796 UOIHJEGJLNBVFJ-UHFFFAOYSA-N 292.310 3.847 30 20 CHED CC(C)(C)OC(=O)CCSc1cccc(F)c1C#N 440546305 MIKOQMFBKOLRBD-UHFFFAOYSA-N 281.352 3.521 30 20 CHED CCC(CC)[C@@H](CCNCc1ccc(C#N)c(C)c1)OC 443997910 YTSIUDOIFWLQQW-GOSISDBHSA-N 288.435 3.798 30 20 CHED CC1(C)CCCN(Cc2ccc(F)cc2Cl)[C@H]1C#N 444718288 KQSNHRYRRHLXMI-AWEZNQCLSA-N 280.774 3.993 30 20 CHED CC1(C)CCCN(CCCCOc2ccccc2)[C@H]1C#N 444726933 CXIVLDUDOBZWRG-KRWDZBQOSA-N 286.419 3.860 30 20 CHED Cc1cc(CN(C)CC#Cc2ccc(F)cc2)ccc1F 444727229 CEYCUEVWKKVPIZ-UHFFFAOYSA-N 285.337 3.757 30 20 CHED Cc1cc(COc2ccc(F)cc2F)ccc1C#N 447288885 XPFDJYRADJBVJE-UHFFFAOYSA-N 259.255 3.724 30 20 CHED N#C[C@H]1N(CC2CCCCCC2)CCC[C@]12CCCCO2 447907562 SGNISIMPZZQDQF-QZTJIDSGSA-N 290.451 3.884 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]1c1ccccc1 448740042 SOPMHKWWWDCMFQ-SQNIBIBYSA-N 299.414 3.721 30 20 CHED C=CCC1(C(=O)NCc2cccc(OCC)c2)CCCC1 449689716 LAHJUTNNIFTZHH-UHFFFAOYSA-N 287.403 3.838 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2cccc(CC#N)c2)CS1 449697215 LAJFPAXAAVRCNQ-GJZGRUSLSA-N 260.406 3.695 30 20 CHED C=C(CC)CNC/C(C)=C\c1ccccc1COC 449733980 LCDDETHCMYPPOE-GDNBJRDFSA-N 259.393 3.792 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)CC(F)(F)F 450039426 CMUYVMAHZCRZHS-RYUDHWBXSA-N 290.329 3.507 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(CC1CCC1)c1ccccc1 450128800 WQLBVNHFHPGTJC-UHFFFAOYSA-N 293.370 3.642 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)CSc1ccc(C)cc1 450699244 KLNAJHIIZQHAOH-CYBMUJFWSA-N 277.433 3.804 30 20 CHED C=CCC1(c2nc(C3(COC)CCCC3)no2)CCCC1 453301213 WZZQXCLDLCSYAX-UHFFFAOYSA-N 290.407 3.916 30 20 CHED N#CCc1cccc(NC(=O)[C@H](c2ccccc2)C2CC2)c1 456726413 ATDUXYSQRRXVNT-GOSISDBHSA-N 290.366 3.885 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC2(CCCCC2)[C@H]1C(C)C 458186462 KTHODFKZJKPUNY-ZBFHGGJFSA-N 276.424 3.744 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CCC[C@@H]2CC)s1 460018623 JHITZDBAEDKUFI-GWCFXTLKSA-N 276.405 3.947 30 20 CHED Cc1cc(CCNc2ccnc(C#N)c2)ccc1Cl 461878153 QVVVIEOXVIJLLK-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(C=C)cc1 462380896 RTOWQBZXSXSEDR-UHFFFAOYSA-N 269.388 3.757 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(F)c(F)c1 464156699 HFBFUOISKHGYHH-HWPZZCPQSA-N 294.345 3.513 30 20 CHED C=CCC[C@@H](NC[C@@H](CO)CC1CCCC1)C1CC1 467450213 NPMKOYGYSVAJQC-DOTOQJQBSA-N 265.441 3.510 30 20 CHED C=C[C@@H](C)NC(=O)CCC[C@@H](C)c1cccc(OC)c1 469138654 WVVFCFYYAAMWNX-ZIAGYGMSSA-N 275.392 3.660 30 20 CHED CCC[C@H](Cc1ccccc1)N[C@H]1CC[C@@H](C#N)C1 471597204 DCXJDYKSLHHGRR-ZACQAIPSSA-N 256.393 3.680 30 20 CHED C=CCCCCN[C@H](Cc1cccc(OC)c1)C1CC1 471605527 HZAVJXSVWZSXSL-GOSISDBHSA-N 273.420 3.962 30 20 CHED C=CCCCCNC(=O)[C@H](C)OC1CCCCCC1 471667497 JZYRAJURXSBROE-AWEZNQCLSA-N 267.413 3.587 30 20 CHED C=CCCCCNC(=O)[C@@H](CC)Oc1cccc(C)c1 471709844 URSQTBFLHSGUKN-MRXNPFEDSA-N 275.392 3.625 30 20 CHED CCCC[C@H](S[C@H](C#N)C1CCCCC1)C(=O)OC 475885024 RWBJVEPPBZHWOG-UONOGXRCSA-N 283.437 3.924 30 20 CHED Cc1cccc(CCCN(C)Cc2ccc(C#N)cc2)c1 480784263 ZIOCDKQUVZPTMQ-UHFFFAOYSA-N 278.399 3.931 30 20 CHED Cc1ccccc1C1CCN(c2ccc(C#N)c(C)n2)CC1 487729401 YIIXGAQAPHEVST-UHFFFAOYSA-N 291.398 3.954 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1coc2ccccc12 488877249 YSVHOMZPFUXFAY-GFCCVEGCSA-N 255.317 3.614 30 20 CHED C[C@H]1CCCC[C@H]1N(C)Cc1ccc(F)cc1C#N 489580012 UESQISHCFAKIOV-BLLLJJGKSA-N 260.356 3.708 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 491231609 UTVSLFZFXOSDJR-ZJUUUORDSA-N 299.201 3.718 30 20 CHED C#C[C@H](CC)NC(=O)c1c(Cl)cc(Cl)cc1Cl 491426743 HJYMCHSTKBZLFD-MRVPVSSYSA-N 290.577 3.788 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 491774302 CJVWYOHUOPYVEN-NXEZZACHSA-N 284.186 3.577 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc4occc4c3)nc2c1 504495892 IKYXQPGGYGYQJB-UHFFFAOYSA-N 259.268 3.848 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 506750083 FZGMXPDTTSGYMK-WCQYABFASA-N 290.794 3.768 30 20 CHED C=C(C)CCc1noc(-c2cnn(CCC(C)C)c2C)n1 508676324 CWMIYZYESLXXIF-UHFFFAOYSA-N 288.395 3.796 30 20 CHED CC1CCC(C)(NC(=O)c2cc(C#N)ccc2Cl)CC1 509101620 YPAMFLQLZXWDHQ-UHFFFAOYSA-N 290.794 3.910 30 20 CHED CCN(Cc1csc(Cc2ccccc2)n1)C[C@H](C)C#N 513429898 KMAMBGIQQGZGPV-CQSZACIVSA-N 299.443 3.715 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Cc1ccccc1Cl 513758278 ZLHDURHNHUKOPN-CYBMUJFWSA-N 279.811 3.943 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1OC 518864391 YWFSFSPIQMNNFT-ZIAGYGMSSA-N 286.375 3.722 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(OC3CCCC3)nc2)C1 520494297 XTGNMASVLHAWHN-STQMWFEESA-N 271.364 3.507 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CCCC(F)(F)C2)c1C#N 520603755 ABGXTCBYQSLALS-SECBINFHSA-N 299.346 3.628 30 20 CHED C=CCCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 523285118 YJNIZIDPQJEWLS-UHFFFAOYSA-N 261.218 3.749 30 20 CHED CN1CCCN(Cc2ccc(F)cc2C#N)c2ccccc21 533529016 VLSDUBDTUZGASC-UHFFFAOYSA-N 295.361 3.544 30 20 CHED CC1=CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 535962690 IHFUJDPEWIQWLL-UHFFFAOYSA-N 295.304 3.589 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cccc(C)c1C)C1CC1 536799040 YKXMFQDLLCGZBQ-AWEZNQCLSA-N 272.392 3.724 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cn(C)c2ccccc12 537227929 AYOGLIGBKZAKLC-CQSZACIVSA-N 284.403 3.582 30 20 CHED C=C(CC)CN(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 539104238 PGBUGXXVKPNMIL-IEBWSBKVSA-N 286.463 3.938 30 20 CHED N#Cc1csc(CN2CCCC23CCCCC3)c1 539823604 MMQQXMIYCOCFLF-UHFFFAOYSA-N 260.406 3.918 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCC[C@@H](CC)C1 542186530 VQGOJORXJCTXSD-RDBSUJKOSA-N 252.402 3.609 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(C)CCC1CC1 549684237 NFJXLNOQWBCTEU-UHFFFAOYSA-N 288.439 3.748 30 20 CHED Cc1cc(N2CCC[C@H]2C2CCCCC2)cc(C#N)n1 552953581 XLIBCGKXSBFANF-KRWDZBQOSA-N 269.392 3.811 30 20 CHED CC[C@@](C)(C#N)C(=O)NC(CC(C)C)CC(C)C 554714321 UKQRPRSKDJCABR-HNNXBMFYSA-N 252.402 3.503 30 20 CHED C=CCCCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 556226361 HANQZVKANWMOFH-LIRRHRJNSA-N 279.449 3.773 30 20 CHED CC(C)C(CN1CCC[C@@]2(CCCCO2)[C@H]1C#N)C(C)C 556617371 JMEFUMPTTDVTNX-MSOLQXFVSA-N 292.467 3.842 30 20 CHED C=C[C@@H]1CCCCN1c1ccnc(C(F)(F)F)c1 561324914 MMWWXKRXLRFXKQ-SNVBAGLBSA-N 256.271 3.645 30 20 CHED CC(C)(C#N)CCN1CCCc2c([nH]c3c(F)cccc23)C1 564481832 OVGQLITZNUWKAV-UHFFFAOYSA-N 299.393 3.995 30 20 CHED Cc1cc(CN[C@@H]2CCc3ccc(F)cc32)ccc1C#N 565577473 WUPXYMVVRXGZKH-GOSISDBHSA-N 280.346 3.783 30 20 CHED Cc1ccc2[nH]c(C(=O)N3CCC(CCC#N)CC3)cc2c1 567947723 VTIZYFJNQBBSGI-UHFFFAOYSA-N 295.386 3.632 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCCc1ccc(F)cc1Cl 569750325 BKUSKBOMSPFKRX-CJNGLKHVSA-N 297.801 3.592 30 20 CHED C[C@H](C#N)CNCC(Cc1ccccc1)Cc1ccccc1 569751772 WWPKVZMZAOHYSD-QGZVFWFLSA-N 292.426 3.837 30 20 CHED N#Cc1ccc(CSc2ccc3ccccc3n2)nc1 570624674 BMARGXWZYICUHS-UHFFFAOYSA-N 277.352 3.794 30 20 CHED N#Cc1ccc(N2CC[C@H](Cc3ccc(F)cc3)C2)c(F)c1 571053434 KWVLCLGORJEEMO-OAHLLOKOSA-N 298.336 3.905 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CC=C(C(C)(C)C)CC1 572419940 WXYFHWUAPBTIBV-UHFFFAOYSA-N 288.439 3.599 30 20 CHED CCCC[C@H](CC)CNC(=O)N1CCC(CCC#N)CC1 573718140 VPDJCICYCBQADV-HNNXBMFYSA-N 293.455 3.928 30 20 CHED C[C@H](CC(=O)N(C)C1(C#N)CCC1)c1c[nH]c2ccccc12 574106027 NSLOVUSRRYZIMD-CYBMUJFWSA-N 295.386 3.566 30 20 CHED CC(C)CC(CC(C)C)C(=O)Nc1cc(CC#N)ccn1 574148566 OELYMRCLZBLLDQ-UHFFFAOYSA-N 287.407 3.795 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@H](Cc3ccccc3)C2)C1 576125563 PDAJQDQMWSSBHV-KZNAEPCWSA-N 268.404 3.633 30 20 CHED CC[C@@](C)(C#N)c1nc(C(C)(C)Cc2ccccc2)no1 576906926 GHEXJNQMLRJUSG-KRWDZBQOSA-N 283.375 3.781 30 20 CHED CC1(C)CCCN(Cc2cc(F)cc(Cl)c2)[C@@H]1C#N 579579908 WXUKRDRITVLMRY-CQSZACIVSA-N 280.774 3.993 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C[C@H]2C=CCCC2)cc1 580124452 KJIJGKAWSJXGGV-DOTOQJQBSA-N 282.387 3.676 30 20 CHED N#CCC[C@H](C#N)CNCc1ccc(-c2ccco2)cc1F 580932381 OTZFQXXBZQYKKU-CYBMUJFWSA-N 297.333 3.619 30 20 CHED N#CCCCCCC(=O)Nc1cccc(-n2cccc2)c1 588150838 GCJKVXDBLHYQKA-UHFFFAOYSA-N 281.359 3.890 30 20 CHED C[C@@H](CNC(=O)CCCCCC#N)c1ccc(F)cc1 588153966 DPQNCFFANYBWOB-ZDUSSCGKSA-N 276.355 3.519 30 20 CHED CCc1cc(NC(=O)CCCCCC#N)ccc1F 588166678 FTWUKCDORRQAME-UHFFFAOYSA-N 262.328 3.801 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 589511540 SWLCAOZKHKIGIW-AWEZNQCLSA-N 298.308 3.537 30 20 CHED Cc1nnc(NC[C@H]2CCCCC(F)(F)C2)c(C#N)c1C 589870055 ADZVPJGPLNRCLX-LBPRGKRZSA-N 294.349 3.593 30 20 CHED C[C@H](c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1)C1CC1 591454065 ZDGNHBZGSVIDGQ-NZVBXONLSA-N 279.343 3.726 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C2CCCCC2)C2CCC2)C1 592882178 QLIIDWXXWFIIKT-MNQCNDSGSA-N 288.435 3.791 30 20 CHED CC(C)N(Cc1ccc(F)cc1)Cc1ccc(C#N)cn1 593952368 KIJFFAOUPTVYMK-UHFFFAOYSA-N 283.350 3.503 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(C(F)F)nc1 595051645 QPFJDLJBQHELST-LLVKDONJSA-N 281.350 4.000 30 20 CHED COc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)c(C)c1 595056717 VAQYLYZQVYSIOM-OAHLLOKOSA-N 294.398 3.769 30 20 CHED N#CCC1(COc2cccc(-c3ccncc3)c2)CC1 596286615 UJUFNTMVZUZRII-UHFFFAOYSA-N 264.328 3.821 30 20 CHED Cc1cc(N2CCC[C@H](CC#N)C2)c2cc(F)ccc2n1 596330246 RQRLEOQZDCHNHL-CYBMUJFWSA-N 283.350 3.812 30 20 CHED N#Cc1cccc(OCCSCC2CC=CC2)c1 596335564 ZWFOSZMETCYWRH-UHFFFAOYSA-N 259.374 3.636 30 20 CHED N#Cc1cc(F)cc(Cl)c1Oc1nc(C2CC2)ns1 596448036 YODWHLVECLYVGI-UHFFFAOYSA-N 295.726 3.872 30 20 CHED CN(CC1=CCSC1)c1ccc(C(F)(F)F)c(C#N)c1 596552375 CCPYIVHQSXUHOQ-UHFFFAOYSA-N 298.333 3.686 30 20 CHED Cc1csc(CNC(=O)CC2(C#N)CCCCC2)c1 597725165 SFHAFFIVLVJGKL-UHFFFAOYSA-N 276.405 3.537 30 20 CHED CC(C)c1cccc(C(=O)N[C@](C)(C#N)C(C)(C)C)c1 598826150 ZUMUIKDHNGIQPX-QGZVFWFLSA-N 272.392 3.868 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@H](C)c2ccccc2)n1 598857318 WIEYJDSJBKACHH-LBPRGKRZSA-N 293.370 3.702 30 20 CHED CCC(C#N)(CC)C(=O)NCCCC1CCCCC1 599059851 SRJJBAJYNFBSGN-UHFFFAOYSA-N 264.413 3.793 30 20 CHED CCC(C#N)(CC)C(=O)NCCCc1ccc(Cl)cc1 599235015 IQAIUBPSOFAYDD-UHFFFAOYSA-N 292.810 3.719 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1cccc(SC)c1 599267004 XIGVVGMAFRROTC-UHFFFAOYSA-N 276.405 3.701 30 20 CHED Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)c(F)c1 601113530 HXBVMERDRUTVMA-UHFFFAOYSA-N 280.346 3.785 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCc3c(C)cccc32)CC1 601317472 NLFKVDSZPSKGIN-KRWDZBQOSA-N 284.403 3.590 30 20 CHED C[C@H](CCC#N)CN1CCO[C@H](c2cccc(Cl)c2)C1 602610080 FNDKXGYKQSCHNF-CJNGLKHVSA-N 292.810 3.653 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(CC)c(CCC)s1 604880380 GSMHZURCOOGDEV-LLVKDONJSA-N 265.422 3.957 30 20 CHED C[C@H](C(=O)Nc1ccc(CC#N)cc1)C1CCCC1 610519920 XRCLNJXLWDNLRV-LBPRGKRZSA-N 256.349 3.517 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C[C@@H]1CCc2ccccc21 610577746 KTQGIGBEYNVISV-ZDUSSCGKSA-N 294.329 3.756 30 20 CHED C[C@@H](NCc1cc(F)c(F)cc1F)c1cccc(C#N)c1 610860061 VINHQAGKIVXKQV-SNVBAGLBSA-N 290.288 3.826 30 20 CHED CC(C)(C)OC(=O)CCCCNc1cccc(F)c1C#N 611338525 JERNONZYXAYGLW-UHFFFAOYSA-N 292.354 3.621 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 611465848 RXWAKHTZRSRFQF-VHSXEESVSA-N 287.338 3.714 30 20 CHED C[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 611618149 ANKRXXSREJQROZ-DOMZBBRYSA-N 270.376 3.562 30 20 CHED Cc1cc(C#N)ccc1CSC[C@@H]1CCCCO1 614394747 OCFKFXFOWXUAQQ-HNNXBMFYSA-N 261.390 3.669 30 20 CHED CC[C@@H](c1ccc(Cl)cc1)N1CC[C@](F)(C#N)C1 615642510 BRZBCWUHOBQCKA-KBPBESRZSA-N 266.747 3.729 30 20 CHED CCn1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 616785484 UXKURUMSBFEFBD-AWEZNQCLSA-N 267.376 3.573 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCc2nc3ccccc3o2)C1 617789143 ZQXKKVDPBAQEFG-AWEZNQCLSA-N 298.386 3.575 30 20 CHED C[C@H](CC#N)NCc1cc(Cl)ccc1OCC1CC1 619535441 GQTQTWNVEJBWIQ-LLVKDONJSA-N 278.783 3.521 30 20 CHED CC#CCCCC(=O)NC1(c2ccccc2Cl)CC1 648464500 GOGIWEAGQVYMJS-UHFFFAOYSA-N 275.779 3.639 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](CC)c1nc(C)cs1 664009234 TXKLEZQMPBNXDS-LBPRGKRZSA-N 295.452 3.947 30 20 CHED C=CCC1(NCCc2ccc(Cl)cc2)CCOCC1 668550720 FCCVBXKYTUOCSH-UHFFFAOYSA-N 279.811 3.597 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 674933993 OHMKNQXVVRTLEW-ZDUSSCGKSA-N 274.408 3.700 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)CC2CCCCC2)n1 694647325 FJAYBVCHOQVPGE-GFCCVEGCSA-N 272.396 3.681 30 20 CHED C=CCCSCCN[C@H](C)c1cc(C)ccc1O 710142707 MMGSKXZAMAWTDW-CYBMUJFWSA-N 265.422 3.661 30 20 CHED C=C(Br)CN(C)CCC1CCCCC1 726071801 JYQUCEYOENNGOA-UHFFFAOYSA-N 260.219 3.797 30 20 CHED CCCCOc1ccc(C=NNC2CCCC2)cc1 727652418 HUGKQOATNWAURN-UHFFFAOYSA-N 260.381 3.732 30 20 CHED CCCCCCCC(=O)OCc1scnc1C 727771447 POYPRALDLQGAFT-UHFFFAOYSA-N 255.383 3.855 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cn1 728805806 SOXUJXTZVHEWFL-GOSISDBHSA-N 292.382 3.580 30 20 CHED C(/C=C/c1ccccc1)=NNCCCc1ccccc1 729146176 OSFVNCHMTMYUEX-KBIAZUBKSA-N 264.372 3.908 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc3nc(O)[nH]c3c2)s1 731157347 VWORAOMLLSKUMX-SOFGYWHQSA-N 298.367 3.789 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1F 731488835 RDHUGJDAYXPSCV-WTKPLQERSA-N 256.276 3.736 30 20 CHED CC(=NNc1nccnc1Cl)c1cc2ccccc2o1 733079555 MQWPEOIJXZFBIP-UHFFFAOYSA-N 286.722 3.712 30 20 CHED CC(=NNc1cnnc2ccccc12)C1CCCCC1 733748070 FJVZCXIIXUQQFQ-UHFFFAOYSA-N 268.364 3.998 30 20 CHED C=CC[C@H](NC(=O)N[C@H](C)c1ccccc1)c1ccncc1 734652569 MZCZHUTZJLKCTA-PBHICJAKSA-N 295.386 3.759 30 20 CHED C=C(Br)COC(=O)C(C)(C)Cc1ccccc1 735559745 KAUZIWIZAXTCAO-UHFFFAOYSA-N 297.192 3.707 30 20 CHED Cc1cccc(C=NNc2cccc(C(F)(F)F)n2)c1 739421587 LFYVIRZRVKDIGL-UHFFFAOYSA-N 279.265 3.855 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 742435183 QYDKRWGWXOAUBQ-QPJJXVBHSA-N 295.294 3.521 30 20 CHED C#CCCCNC(=O)N[C@@H](C)c1csc2ccccc12 743691228 YHWNPXYJEFXJCS-LBPRGKRZSA-N 286.400 3.675 30 20 CHED C=C(C)CCOC(=O)C[C@@H](C)c1ccccc1F 744303016 LHIBZFBFYBIWIW-GFCCVEGCSA-N 250.313 3.829 30 20 CHED N#CCOc1ccc(C=NNc2cccc(Cl)c2)cc1 744567562 PEMZVFCEODQGGP-UHFFFAOYSA-N 285.734 3.688 30 20 CHED CC(C)=CCC/C(C)=C/C=NN=C(C)c1cnccn1 745209430 ZXAOJIMXEZXYRL-CMNAGBEDSA-N 270.380 3.964 30 20 CHED C=CCCCOC(=O)c1c[nH]cc1-c1ccc(F)cc1 745269353 GXQOINNUUCWPMJ-UHFFFAOYSA-N 273.307 3.944 30 20 CHED CCOc1ccc(N(CC)Cc2cccc(C#N)c2)cc1 746159198 QFKGSRJOSKZROQ-UHFFFAOYSA-N 280.371 3.983 30 20 CHED O=[N+]([O-])c1cc(C=NNc2ccc(Cl)c(F)c2)cs1 747636615 MRQCVHQVRMQENW-UHFFFAOYSA-N 299.714 3.895 30 20 CHED CCOC(=O)c1ccc(C=NNc2ccccc2Cl)o1 748247624 VPNVYCPKBJOZKO-UHFFFAOYSA-N 292.722 3.556 30 20 CHED N#Cc1ccc(/C=C2/Cc3c(F)cccc3C2=O)s1 748999359 WFHCHEKCSFAFCZ-TWGQIWQCSA-N 269.300 3.581 30 20 CHED COc1cccc2c1CCC(=NNc1cccc(C#N)c1)C2 754924668 ZBPUTUNSEVXILF-UHFFFAOYSA-N 291.354 3.524 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(CCC#N)CC2CC2)cc1 755326372 JAXXMFCHYDSZMM-AWEZNQCLSA-N 284.403 3.966 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(F)cc(F)c1 755628628 SRGNMLZSHUUMRG-UHFFFAOYSA-N 285.297 3.759 30 20 CHED Cc1c(NN=CC(C)(C)CCC#N)cccc1[N+](=O)[O-] 755696635 AAUAADINLQLMQW-UHFFFAOYSA-N 274.324 3.631 30 20 CHED CCCCCCCC(=O)OCc1ccnc(N(C)C)c1 755889266 WFMIYAGBAIMGBV-UHFFFAOYSA-N 278.396 3.551 30 20 CHED C#CC[C@@H](/N=C/c1cc(OCC)ccc1O)c1ccccc1 756845717 GJGBJPAJCAWJJU-SQVRNEIYSA-N 293.366 3.974 30 20 CHED Oc1ccccc1/C=N/[C@@H]1COc2c(Cl)cccc21 757525133 CZFWTOYBMHUNLK-QOSBVPTNSA-N 273.719 3.598 30 20 CHED C#CC[C@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 757623816 QRYUDIQTFICEHC-HNNXBMFYSA-N 271.335 3.665 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1C#N 757824314 HKQNNWYBHZHYGT-ZGKFYVQTSA-N 296.414 3.999 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccccc1F 759069699 AUEAHRCLCASNPC-AATRIKPKSA-N 267.712 3.832 30 20 CHED CC#CCCOC(=O)c1sc(C)nc1-c1ccccc1 760284092 VRTPUSLFHPAECZ-UHFFFAOYSA-N 285.368 3.689 30 20 CHED C#CCCc1noc(COc2cc(C)ccc2C(C)C)n1 762001445 QJDAIWJXETVPKI-UHFFFAOYSA-N 284.359 3.646 30 20 CHED CC(C)CCO[C@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 764615144 VHRMFGNDJNYHLL-UONOGXRCSA-N 289.375 3.614 30 20 CHED CC1(C)CC(=NOCC(F)(F)F)c2ccoc2C1 764846855 RQUMRMWCYFEHFM-UHFFFAOYSA-N 261.243 3.535 30 20 CHED Cc1ccc(C=NOc2ccccc2C(F)(F)F)cn1 764907922 RETXPJNVSWBNFV-UHFFFAOYSA-N 280.249 3.822 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(C)cc1O 767027468 BWCRPUJPTNYKFH-UHFFFAOYSA-N 254.333 3.845 30 20 CHED CC1CC(C#N)(C(=O)OCC[C@@H]2CCC[C@H](C)C2)C1 767425301 QYFYKFRJBVSMRO-REWIBIJMSA-N 263.381 3.686 30 20 CHED C=CCN(CC=C)Cc1sc2nc(C)nc(C)c2c1C 768138429 UWPLRVPANBYLLC-UHFFFAOYSA-N 287.432 3.791 30 20 CHED CC(C)(F)C(=O)Nc1cccc(C#Cc2cccs2)c1 768292034 VMIBOFJSISFAQY-UHFFFAOYSA-N 287.359 3.835 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ncnc3ccsc23)C1 768367877 SQZYDOSCDIPLPW-MNOVXSKESA-N 274.393 3.915 30 20 CHED C[C@@](C#N)(NC(=O)[C@@H](F)c1ccccc1)C1CCCCC1 769472843 CSKOJVPDHSRIFP-RDJZCZTQSA-N 288.366 3.676 30 20 CHED CCCCC(C)=NNc1ccnc(Br)c1 769817270 XUNPMZQQEYGILR-UHFFFAOYSA-N 270.174 3.822 30 20 CHED FC(F)(F)CNN=C1c2ccccc2-c2ccccc21 769820815 DPRCPLPAUYNXHL-UHFFFAOYSA-N 276.261 3.571 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2F)c(F)c1 772795711 DNMDKUFIMYACPV-UTCJRWHESA-N 287.240 3.872 30 20 CHED C#C[C@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 772962258 LFCYLOGCPZSJIL-JTQLQIEISA-N 289.787 3.820 30 20 CHED CCCCCCCC(=O)N(C)[C@H](CC)CSC 773972906 LMCIUHQGRSNKMP-CYBMUJFWSA-N 259.459 3.947 30 20 CHED CCCCCCCN[C@H](C)c1ccc(-n2cncn2)cc1 774816801 VRAKESVSKMMVGF-OAHLLOKOSA-N 286.423 3.888 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N[C@H]1CCOC1 774820020 ORYNUJXYSSVKFT-CABCVRRESA-N 269.429 3.668 30 20 CHED CCCC(CC)=NNc1oc(C(C)(C)C)nc1C#N 776179856 FZVJUJGITDWWSW-UHFFFAOYSA-N 262.357 3.822 30 20 CHED Cc1ncc(C=NNc2nc3ccccc3cc2C)s1 776785908 MAHACUNKXLSEEK-UHFFFAOYSA-N 282.372 3.754 30 20 CHED Cn1c(C/N=C\c2ccccc2O)nc2cc(Cl)ccc21 777402356 XPIISMBOWQGBIH-NVMNQCDNSA-N 299.761 3.551 30 20 CHED FC(F)(F)CCON=C1CSCc2ccccc21 777455534 GVJZXMHQGXYTQT-UHFFFAOYSA-N 275.295 3.607 30 20 CHED C=CCC[C@@H](C(=O)OCc1nccc(C)n1)c1ccccc1 778551268 HSFBFJWWDOATQA-MRXNPFEDSA-N 296.370 3.578 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@H]1CO 779026901 HZLPZVQVLHJYSH-HNNXBMFYSA-N 269.429 3.501 30 20 CHED CCCCCCCCCC(=O)N1CC[C@](O)(CC)C1 779336367 QNMMGVHFWOFRLR-MRXNPFEDSA-N 269.429 3.501 30 20 CHED C=CCS(=O)(=O)Cc1c(C)cc(C(C)(C)C)cc1C 779366973 KVRHXFHNNUUQBS-UHFFFAOYSA-N 280.433 3.702 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCOC2(CCCCC2)C1 779938208 PNNHVEDPTVRCLG-INIZCTEOSA-N 291.435 3.568 30 20 CHED COc1ccc(NN=Cc2cccc(Cl)c2Cl)nc1 780276588 NURVTDIDODRJQN-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)OCCCC(C)(C)C#N 783746276 SEKFMNFFEHZMBJ-ZDUSSCGKSA-N 291.366 3.877 30 20 CHED CCC(=NNCCC(=O)OC(C)(C)C)C1CCCCC1 783869314 XMCXBJJBAQADNI-UHFFFAOYSA-N 282.428 3.654 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 784742392 ANKHQJPUXVLBKV-SDQPKGBYSA-N 294.807 3.567 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccn(C(CC)CC)n1 785757432 JLDACULIQUZDDB-INIZCTEOSA-N 278.396 3.890 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(F)cc1F 785767627 IGCVPDOZZCAEBQ-AWEZNQCLSA-N 254.276 3.610 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C(\C)c1ccc(F)cc1 785861478 AJCQIWRTIIFBFN-DBTPVHCXSA-N 273.351 3.796 30 20 CHED COCC(=NNc1ccc(Cl)c(OC)c1)C1CCCC1 788467628 KIRIHJTWUQAULU-UHFFFAOYSA-N 296.798 3.953 30 20 CHED CCC(=NNc1ccc(Cl)c(Cl)c1)c1cn[nH]c1 788991487 MBXVILMWBXIMML-UHFFFAOYSA-N 283.162 3.943 30 20 CHED CC(C)C(C=NNc1cc(C#N)cc(Cl)n1)C(C)C 789032872 AKPCAJGHTYPPPE-UHFFFAOYSA-N 278.787 3.933 30 20 CHED CCc1ccc(C(C)=NNc2cccc(F)c2[N+](=O)[O-])o1 790310827 SGQKLAQRMGPGIZ-UHFFFAOYSA-N 291.282 3.725 30 20 CHED CCn1cc(C(=O)/C=C\c2ccnc(Cl)c2Cl)cn1 791433719 HKGBNAGSFZQKBD-ARJAWSKDSA-N 296.157 3.501 30 20 CHED CCCC1(C(=O)[C@H](C#N)c2cnc3ccccc3n2)CCC1 792111125 RDFQLUHTMTZYKE-CYBMUJFWSA-N 293.370 3.776 30 20 CHED C#CCN(CCCCCF)[C@@H]1CCc2ccccc21 792861305 ASTVMOUHMGHYET-QGZVFWFLSA-N 259.368 3.749 30 20 CHED CSCCON=C1CCCOc2c(C)cc(C)cc21 794577251 QWKCRWZCCNYQNL-UHFFFAOYSA-N 279.405 3.560 30 20 CHED Cc1cc(C)c(C=NNCc2ccccc2N(C)C)c(C)c1 794956010 HXHWESMAVGMXHQ-UHFFFAOYSA-N 295.430 3.802 30 20 CHED CC[C@](C)(C#N)C(=O)OCCCC1CCCCC1 796833545 CHNTVVAWKVVVNI-OAHLLOKOSA-N 251.370 3.830 30 20 CHED N#CCC1(COC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 797075041 SGHPURLXXPBISS-QLFBSQMISA-N 275.392 3.830 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccc(C(F)F)cc1 797888864 SQXJCLVSCNPOCP-UHFFFAOYSA-N 291.253 3.754 30 20 CHED N#Cc1ccc(O)c(NC(=O)/C(F)=C\C2CCCCC2)c1 798172147 GQSPNQCTJJSSOB-MDWZMJQESA-N 288.322 3.636 30 20 CHED C=CC[C@@H](CC)NC(=S)NCCCCC(F)(F)F 798376574 WFMFPSQOUNCZCX-SNVBAGLBSA-N 282.375 3.538 30 20 CHED C#C[C@H](NC(=O)C(C)(C)c1cccc(Cl)c1F)C(C)C 799042412 ZVYXJONHCMKXMF-ZDUSSCGKSA-N 295.785 3.531 30 20 CHED COc1ccccc1CON=CC(C)(C)CCC#N 799118677 PXNGDYUCNOFRRV-UHFFFAOYSA-N 260.337 3.528 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1cnoc1C 799464811 NBNNIXGQWYEDAB-UHFFFAOYSA-N 283.253 3.838 30 20 CHED COc1cc(NN=C2CCC23CCOCC3)ccc1Cl 799886852 DZOVPIIQTGNLDM-UHFFFAOYSA-N 294.782 3.707 30 20 CHED C=CCCC(=O)O[C@H]1CCc2cc(Cl)ccc21 803331426 ASSPAWQISHDTBX-ZDUSSCGKSA-N 250.725 3.837 30 20 CHED CCCCCCCCNC(=O)c1ccc2oc(O)nc2c1 805192777 UDGCHGWVUVXIJR-UHFFFAOYSA-N 290.363 3.624 30 20 CHED Cc1cc([C@H](C#N)C(=O)CCCCC(C)(C)C)nc(C)n1 805853895 RIEIFDBNCPAUSH-AWEZNQCLSA-N 287.407 3.876 30 20 CHED Cc1ccc(OC(F)F)c(/C=C/C(=O)c2cc(C)on2)c1 806556807 ZOYUMFUIPFBGMG-SNAWJCMRSA-N 293.269 3.789 30 20 CHED FC(F)(F)c1ccc(C=NNc2cc(Cl)ccn2)[nH]1 807981201 IUNFRXAIARMPSX-UHFFFAOYSA-N 288.660 3.528 30 20 CHED COc1ccc(NN=C(C)c2c(F)cccc2Cl)nc1 807983283 HECVNXSFEOKQSB-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C#C[C@@H](C)NCc1cc(Cl)c(OCCC)c(OCC)c1 809683990 UTTJVLIXQJVUQY-GFCCVEGCSA-N 295.810 3.639 30 20 CHED C#C[C@H](CC)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 809686070 LENPWMCFPFQZME-BXUZGUMPSA-N 269.310 3.638 30 20 CHED C=CCCN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809985705 SGGCQPILDVJHIU-UHFFFAOYSA-N 289.162 3.910 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc(C)cc2)no1 810276516 RVUSLOAZCOMLMZ-UHFFFAOYSA-N 274.323 3.617 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCCSC2)n1 810606568 YPRKICNDLWICJO-MNOVXSKESA-N 294.445 3.586 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccccc1 811685419 RJLOGTFQPPNMSR-MDZDMXLPSA-N 251.260 3.593 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](O)c1ccc(Cl)cc1 813884858 MBFSEKZHTZVDLP-SLEUVZQESA-N 267.800 3.564 30 20 CHED C=CC[C@@H](NC(=O)c1oc(C(C)C)nc1C)c1ccncc1 814115795 MNFPVQITYUTKBW-CQSZACIVSA-N 299.374 3.549 30 20 CHED Clc1scc(C=NOCC2CC2)c1Cl 814244066 CSIVNJKJEILXBU-UHFFFAOYSA-N 250.150 3.815 30 20 CHED COc1cccc(NN=C(C)Cc2ccc(F)cc2)c1 814777914 ZUHUNQPQZIFGOS-UHFFFAOYSA-N 272.323 3.865 30 20 CHED Fc1ccccc1NN=C1Cc2[nH]c3ccccc3c2C1 814789451 IMGSMBREFCCZDR-UHFFFAOYSA-N 279.318 3.874 30 20 CHED CCC(=NNc1cc(C)ccn1)c1ccc(F)cc1F 814868313 ZVJYLUQFFWANEN-UHFFFAOYSA-N 275.302 3.894 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc2occc2c1 816080422 LFRCVQDDZUVYJI-UHFFFAOYSA-N 266.243 3.687 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 819302668 NFDDPPOKNUFALK-UHFFFAOYSA-N 285.347 3.586 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2cn[nH]c2)c1 819440033 FGBDLGFODWGZAS-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=CCCn1cc(C(=O)Oc2ccccc2[C@@H](C)CC)nn1 819942650 BDJZBKBILKVWJA-ZDUSSCGKSA-N 299.374 3.587 30 20 CHED CC1(C#N)CCC(N[C@H]2Cc3ccc(Cl)cc3C2)CC1 824338679 CVZWRHOJEZUKMY-CGZBRXJRSA-N 288.822 3.869 30 20 CHED C=CCCCC[C@H](C)Nc1ccc2c(c1)C(=O)OC2 824409423 RTTHIGISQGLYFX-LBPRGKRZSA-N 259.349 3.904 30 20 CHED C#Cc1cccc(CNCc2ccccc2OC(C)C)c1 825226154 DTMLXRLFALLTBR-UHFFFAOYSA-N 279.383 3.745 30 20 CHED CCON(CCCC(C)(C)C#N)Cc1ccccc1 832795494 GKOFIWYXVDPCAL-UHFFFAOYSA-N 260.381 3.770 30 20 CHED C=CCC[C@@H](NCCc1ccc(NC(=O)O)cc1)C1CC1 833373572 SOUSKXPOBJLESI-MRXNPFEDSA-N 288.391 3.653 30 20 CHED C=CCCC[C@H](C)N[C@H](C(=O)O)c1cccc(Cl)c1 833373971 LXRAJRZZYACJQQ-FZMZJTMJSA-N 281.783 3.800 30 20 CHED CC(=NNC(=S)Nc1cccnc1)[C@@H]1CCCC[C@H]1C 834922293 NZVHNAXHGBTLLF-BXUZGUMPSA-N 290.436 3.570 30 20 CHED CSCC1CCC(=NNCCc2ccccc2F)CC1 834962362 RHBHYRLDYCWDLI-UHFFFAOYSA-N 294.439 3.867 30 20 CHED CC(=NOC(C)C)c1cc(C)ccc1OC(F)F 835004393 NLKYBADYIYSSKH-UHFFFAOYSA-N 257.280 3.745 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835238424 MKPCRZYEVBRAJJ-VHSXEESVSA-N 285.265 3.669 30 20 CHED C#CCC(C)(C)COC(=O)C[C@@]1(C)CC1(Cl)Cl 835280760 VCFVHTQWRSRGOC-LBPRGKRZSA-N 277.191 3.553 30 20 CHED C=CCC1(C(=O)OCc2ncccc2C)CCCC1 835325946 ZHEPRRHTCCDDJM-UHFFFAOYSA-N 259.349 3.570 30 20 CHED CC/C(C)=C/C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 835454810 JAECBFFDIRMIKC-OALRPVAKSA-N 282.265 3.633 30 20 CHED C=C(CC)CNC(=O)/C=C/c1cnc(C(C)(C)C)s1 837099658 WXSBNKDRHKKIOE-BQYQJAHWSA-N 278.421 3.536 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1cccc(OC(F)F)c1 837343704 DMNPQWFBXICHIF-LLVKDONJSA-N 295.329 3.515 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(F)c(F)cc2Cl)C1 839053432 DTFQSHMEDCBVKF-RKDXNWHRSA-N 299.704 3.857 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccccc2OC2CCC2)C1 839055804 RQPMUVLSLSGKNI-HIFRSBDPSA-N 299.370 3.857 30 20 CHED CCCCCCCCC/C=C\C(=O)Nc1nnn(C)c1C 840571564 MBZLTKSFSRDZIE-SEYXRHQNSA-N 292.427 3.759 30 20 CHED Cc1cc(COC(=O)CCCCCC#N)cc(Cl)n1 840571901 HEECPTWMESZWBJ-UHFFFAOYSA-N 280.755 3.561 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1cccc(C2CC2)c1 840768416 YLBCMLNMVKAIJV-GFCCVEGCSA-N 274.433 3.665 30 20 CHED C#CC1CCN(Cc2ccc(C(F)(F)F)s2)CC1 843426749 JKMHQSOYQMRJNK-UHFFFAOYSA-N 273.323 3.612 30 20 CHED C=CC[C@H](CC)NC(=O)NCCC[C@@H]1CC1(Cl)Cl 845173118 ZJNVXHNBFLVPSV-MNOVXSKESA-N 293.238 3.614 30 20 CHED C=C(C)CONC(=O)N(Cc1ccccc1)[C@@H](C)CC 845600029 YODZLQQFTOHLDB-AWEZNQCLSA-N 276.380 3.504 30 20 CHED CC(C)Nc1cccc(F)c1NCC1(CC#N)CC1 849316221 VZQZBXWQLHOLRC-UHFFFAOYSA-N 261.344 3.752 30 20 CHED C=C[C@@](C)(CC)COC(=O)[C@H](OC)c1cccc(OC)c1 850976712 GPSQDNNZUUQALJ-WBVHZDCISA-N 292.375 3.528 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1(c2ccccc2)CCC1 851213156 OECVDLSKRKUPIT-CQSZACIVSA-N 285.387 3.980 30 20 CHED C=CCCONC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 856034712 KOXQDOUCEWJICZ-UONOGXRCSA-N 273.376 3.600 30 20 CHED CC(C)(C)CN(CCC#N)c1nc(Cl)cs1 858458065 WUWSZWPIFPBWIJ-UHFFFAOYSA-N 257.790 3.563 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@@H]1CCc2ccccc21 860197931 JPPYTNNZDCPRIV-AWEZNQCLSA-N 271.360 3.590 30 20 CHED CCc1ccc(COC(=O)C(C#N)(CC)CC)cc1 860198423 ZITWKRMCWJPOSG-UHFFFAOYSA-N 259.349 3.622 30 20 CHED Fc1cccc(NN=C2CC(C(F)F)C2)c1Cl 863158975 XWHUJMXASAOKQZ-UHFFFAOYSA-N 262.662 3.922 30 20 CHED Cc1cc(=NN=C2CCC(=C3CCC3)CC2)cc[nH]1 863160340 ABRUCUDKBMVKHN-UHFFFAOYSA-N 255.365 3.634 30 20 CHED C#CCCCCC(=O)Nc1n[nH]c(C)c1-c1ccc(F)cc1 863944670 PIRIFTHSDGVBBR-UHFFFAOYSA-N 299.349 3.656 30 20 CHED CC(=O)Nc1cccc(CNc2ccc(C#N)cc2Cl)c1 864019820 SOVUNZPELVHQAF-UHFFFAOYSA-N 299.761 3.782 30 20 CHED C#CCOc1ccccc1NCc1ccc(CC)cc1 864033098 YUUFQYUVDQXPQK-UHFFFAOYSA-N 265.356 3.873 30 20 CHED C=C(C)C[C@H](NCc1cccc(CC2CCC2)c1)C(=O)O 864529767 MAPUXGFNNXQWBS-KRWDZBQOSA-N 287.403 3.538 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C1(F)CCOCC1 864965995 YWMXGIOIQVFMCH-CQSZACIVSA-N 287.419 3.618 30 20 CHED C#CCCCSCc1ncc(Br)cc1F 865280214 VSXZDWPABJDBQL-UHFFFAOYSA-N 288.185 3.630 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc2occc2c1 880671379 QVZFHJPYMBKEQR-UHFFFAOYSA-N 257.333 3.651 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(N3C[C@H]4C[C@@H]4C3)c2c1 884589658 GHNGKWUSZYKTBW-GHMZBOCLSA-N 283.762 3.524 30 20 CHED C=CCC1(O)CCN([C@@H](C)c2cccc(Cl)c2)CC1 886761595 HKSGLTZGGNATBI-ZDUSSCGKSA-N 279.811 3.804 30 20 CHED N#C[C@H]1CCCN(c2ccnc(-c3cccc(Cl)c3)n2)C1 895649760 OKTNETOTUACLIV-GFCCVEGCSA-N 298.777 3.537 30 20 CHED C=C1CCC(c2nc([C@@](C)(CC)OC)no2)CC1 896314389 RZWASRCOYDQKQB-CQSZACIVSA-N 250.342 3.555 30 20 CHED C=C1CC(c2noc(-c3ccc(OC(F)F)cc3)n2)C1 896890878 PAWFQZJIUIKWNV-UHFFFAOYSA-N 278.258 3.772 30 20 CHED C=CCCC[C@H](NCc1cccc2ccccc12)C(=O)O 900067598 LLCAACOZZAWQRP-KRWDZBQOSA-N 283.371 3.739 30 20 CHED CC(C)COc1ccccc1/C=C\C(=O)c1ncco1 901518000 JVRPLYFLCJZRRC-FPLPWBNLSA-N 271.316 3.606 30 20 CHED CCCCn1nc(C)c(/C=C\C(=O)c2ncco2)c1Cl 901520283 VJEPXMVALQBPBW-WAYWQWQTSA-N 293.754 3.529 30 20 CHED CCn1nc(C)c(CSCCCCC2(C#N)CCC2)n1 901793890 OHAXFYTWIBWKIH-UHFFFAOYSA-N 292.452 3.704 30 20 CHED CC(=NOCC1CC(F)(F)C1)c1ccc(F)cc1 902855867 AMCDHBKVMMKFRB-UHFFFAOYSA-N 257.255 3.612 30 20 CHED CC[C@@H](NCCCc1cccc(C)n1)c1cccc(C#N)c1 902987591 PADXTXFBNMTEMJ-LJQANCHMSA-N 293.414 3.935 30 20 CHED CC(C)[C@@H](COCc1ccccc1)NCC1(C#N)CCC1 903030932 AEWFINFSFBZWFX-QGZVFWFLSA-N 286.419 3.511 30 20 CHED N#CCCCCOC(=O)CSc1ccccc1Cl 914616740 FGENWQCFLDAVCV-UHFFFAOYSA-N 283.780 3.669 30 20 CHED CC(=NNc1nccc2sccc12)c1cccc(O)c1 915980480 XJZGHSORXWKDBJ-UHFFFAOYSA-N 283.356 3.838 30 20 CHED Cc1cc(C)nc(NN=C2CC[C@H]3CCCC[C@@H]3C2)n1 916241089 GGMRVXAYCCYGBL-ZIAGYGMSSA-N 272.396 3.852 30 20 CHED C#CCOc1ccccc1C=NNc1cc(C)cc(C)c1 916346664 NMIOJLFYCYNQPR-UHFFFAOYSA-N 278.355 3.761 30 20 CHED C=C(C)COC(=O)CCSc1ccccc1Cl 916587061 VNKZABYVVSPLKU-UHFFFAOYSA-N 270.781 3.942 30 20 CHED C#CCN(Cc1cccc(F)c1)[C@@H]1CCc2ccccc21 917117968 XFEHJFWDQXHFSH-LJQANCHMSA-N 279.358 3.948 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cccc(C#N)c1 920382837 PRIDZDUHTGSMOO-CYBMUJFWSA-N 263.344 3.633 30 20 CHED Cc1cccc2oc(CCN[C@H](C)CC(C)(C)C#N)nc12 925185613 NMPSGPKCKYAHGN-CYBMUJFWSA-N 285.391 3.597 30 20 CHED CCCCCC[C@@H](C)CC(=O)N1CCC[C@@H](C#N)C1 928224433 LIPFZQMNIXVVJZ-CABCVRRESA-N 264.413 3.745 30 20 CHED CCCCCC[C@@H](C)CC(=O)N1CCC[C@H](C#N)C1 928224435 LIPFZQMNIXVVJZ-HUUCEWRRSA-N 264.413 3.745 30 20 CHED CN(CCCCC1(C#N)CCC1)Cc1ccccc1O 929976338 NPCDJPWTBSZCOO-UHFFFAOYSA-N 272.392 3.688 30 20 CHED N#CC1(CCCCN2CCOCc3ccccc32)CCC1 930273446 HGUOXHOPEQCGMP-UHFFFAOYSA-N 284.403 3.887 30 20 CHED N#CCc1cccc(NC(=O)NC2(C3CCCCC3)CC2)c1 931688895 NSXCJOMPOCNFAK-UHFFFAOYSA-N 297.402 3.987 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(C(C)C)nc2ccccn12 933766771 MJNRJGQYULZMRQ-LBPRGKRZSA-N 286.379 3.544 30 20 CHED Cc1ccc(CC(=O)NCC(C)(C)CCC#N)cc1Cl 935992522 JGNXUDXJAPZKJQ-UHFFFAOYSA-N 292.810 3.637 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)COC(C)(C)C)c1cccs1 1123107833 UXKRSTZOCDLSGC-FZMZJTMJSA-N 295.404 3.697 30 20 CHED N#CC[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 1124425997 OLRKIAPFYALRMU-HNNXBMFYSA-N 298.773 3.654 30 20 CHED CN(Cc1ccc(C#N)cc1)c1nc2cccc(F)c2s1 1162103396 FEJOBPDPCCPRIR-UHFFFAOYSA-N 297.358 3.943 30 20 CHED Cc1cccc2cc(Oc3ccnc(C#N)c3)cnc12 1163531507 UHGJCLXIAMGFRP-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CC[C@@H]1CCCCN1Cc1ccc(Cl)cc1C#N 1232609043 GZIQZBQKUZJJNQ-OAHLLOKOSA-N 262.784 3.976 30 20 CHED N#CCCN(Cc1cccnc1)Cc1cccc2ccoc12 1236732558 IGVHXTMPCSGGHA-UHFFFAOYSA-N 291.354 3.744 30 20 CHED COc1cccc(/C=C/c2cc(C#N)ccn2)c1OC(C)C 1256730359 QCQCJXCYTUYADF-BQYQJAHWSA-N 294.354 3.919 30 20 CHED CSc1ccccc1C(C)=NN[C@@H](C)C(F)(F)F 1261278036 UNHAMXWNELTCBM-VIFPVBQESA-N 276.327 3.673 30 20 CHED Cc1cc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)cc(C)n1 1287626339 NVZKXFPVNZGJMQ-UHFFFAOYSA-N 299.761 3.500 30 20 CHED CC[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CC1(C)C 1310249697 DLCRJJQQNGMZIA-JSGCOSHPSA-N 289.354 3.644 30 20 CHED CC1(C)CC[C@@H](NC(=O)Nc2cc(C#N)c(F)cc2F)C1 1311137157 BUOUYXAAKVNJTP-SNVBAGLBSA-N 293.317 3.537 30 20 CHED C#CCCCCCC(=O)Nc1ccc(COCC)cc1 1320047531 LOXLDXCXKPZFTK-UHFFFAOYSA-N 273.376 3.745 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@H](C)c1ccc(CC)cc1 1322948273 GFZQYKIATAZYCN-HNNXBMFYSA-N 283.415 3.614 30 20 CHED C=C1CN(C(=O)Nc2cccc(Cl)c2OC(C)C)C1 1332898048 QILLXCMJIHXRGB-UHFFFAOYSA-N 280.755 3.531 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 1336450057 LTWILUZHPWRZQI-ZDUSSCGKSA-N 289.272 3.902 30 20 CHED N#Cc1cc(F)c(C(F)(F)F)cc1S[C@@H]1CCOC1 1337960250 VLHODENAQXEMCX-MRVPVSSYSA-N 291.269 3.597 30 20 CHED C[C@@H]1COc2ccccc2[C@@H]1OC(=O)c1ccc(C#N)s1 1342081442 BEIJGVNRUZYYDH-MEBBXXQBSA-N 299.351 3.546 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)O[C@H]1CC[C@@H](C#N)C1 1342690786 DNCHBIVYLPNWJM-FMKPAKJESA-N 296.370 3.513 30 20 CHED N#CCCCCCC(=O)N1Cc2ccccc2C2(CCC2)C1 1343731476 HFJWZYBHUTZORM-UHFFFAOYSA-N 296.414 3.925 30 20 CHED C=C[C@H](CC)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 1344529533 HJIMQNOZIZKXTD-OLZOCXBDSA-N 281.359 3.650 30 20 CHED C=CCC1(c2nnc(-c3ccc(C#N)cc3)o2)CCC1 1345571149 UHRHNEZSICSJAE-UHFFFAOYSA-N 265.316 3.606 30 20 CHED CC(C)c1oc(-c2ccccc2)nc1C(=O)OC[C@@H](C)C#N 1347121402 BUOHKHIZXRVNJK-LBPRGKRZSA-N 298.342 3.781 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 1348127925 LBYRNJMLMLQUAV-OAHLLOKOSA-N 279.424 3.587 30 20 CHED C=C(CC)C(=O)N(C)[C@H](CC)c1ccccc1OC 1348644363 ZAHPEOOPAUHFRR-CQSZACIVSA-N 261.365 3.571 30 20 CHED CCCOc1ccccc1NC(=O)c1ccc(C#N)cc1F 1354178833 ODVQHZBRGHBAPU-UHFFFAOYSA-N 298.317 3.738 30 20 CHED N#Cc1ccccc1SCc1cc(Cl)ccn1 1458949328 MJMJJMJQQYMHHM-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2F)c1 1460785445 DUYOCPOEOKFYQV-GFCCVEGCSA-N 282.318 3.748 30 20 CHED C[C@@H]1CC[C@H](C(=O)O[C@@H]2CCC[C@H](C#N)C2)C[C@H]1C 1460794887 GPZZGKVALZHTEP-NIFZNCRKSA-N 263.381 3.684 30 20 CHED CCc1ccc(N(CC)C(=O)c2ccc(C#N)cc2F)cc1 1524937531 SYPYDYMBMZULSS-UHFFFAOYSA-N 296.345 3.926 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)[C@@H]1CCCC[C@H]1C 1528044228 LHGQSPSGPWFOAG-RHSMWYFYSA-N 284.403 3.908 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H]2CCc3ccccc32)c1 1535892847 FVPRAIYDVWOOKD-MRXNPFEDSA-N 290.366 3.925 30 20 CHED CCCC[C@@H](CC)CC(=O)N(CC)[C@H](C#N)CC 1536521854 PUANDOXMZGHYNS-KGLIPLIRSA-N 252.402 3.744 30 20 CHED Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 1540267583 NEHGCKXMUPLAAV-WMZOPIPTSA-N 296.414 3.813 30 20 CHED COc1cc(OCc2cc(C)ccc2C)ccc1C#N 1559405033 MQBSOOSASVUGHI-UHFFFAOYSA-N 267.328 3.763 30 20 CHED C=CCCCCCS[C@H](C)c1nc(C(=O)O)co1 1588799934 QNPMEVUTUPBKMG-SNVBAGLBSA-N 269.366 3.913 30 20 CHED C=CCCCCCN(C)Cc1cc(C(=O)O)ccc1OC 1588799971 SSLBOSXRNGGLPZ-UHFFFAOYSA-N 291.391 3.572 30 20 CHED C=CCCN(C)[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1 1588805960 VVZZZVUPLLGDOX-LBPRGKRZSA-N 288.174 3.627 30 20 CHED CC1(C(=O)Nc2cc(C#N)c(F)cc2F)CCCCC1 1595652419 BNPUMDLPTOEYKQ-UHFFFAOYSA-N 278.302 3.745 30 20 CHED N#Cc1cc(=NCC2(c3cccs3)CCCCC2)cc[nH]1 1612014498 OYDRIPIQTKYSLZ-UHFFFAOYSA-N 297.427 3.751 30 20 CHED CC(C)N1CCCC[C@@H]1CSc1ccc(C#N)cc1 1613488871 XPWOPGPMDDUWJM-OAHLLOKOSA-N 274.433 3.913 30 20 CHED CN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccsc1 1616296608 FMQGXTSLUHTAAE-UHFFFAOYSA-N 276.748 3.550 30 20 CHED C[C@@H]1CN(c2cccc(C#N)n2)CCc2ccc(Cl)cc21 1640116654 OCAQDSOOIOKDHM-GFCCVEGCSA-N 297.789 3.773 30 20 CHED Cc1cccc(C2(CNc3cc(C#N)cnn3)CCCC2)c1 1655069218 SICSLPIWIADXCS-UHFFFAOYSA-N 292.386 3.581 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1cccc(F)c1C#N 1655308686 PMHGDSQTAGMYOA-CABCVRRESA-N 276.355 3.703 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2cc(F)cc(C#N)c2)CS1 1665454484 UVCDGYHKNHXKFG-ZIAGYGMSSA-N 264.369 3.639 30 20 CHED CC[C@H]1CCN(C(=O)Nc2cc(C)cc(C#N)c2)[C@H]1C 1672285279 LCSSIAPKVPURNG-JSGCOSHPSA-N 271.364 3.519 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CCC[C@H]1CC 1705753369 YFRQCRJCTBISBV-CYBMUJFWSA-N 294.830 3.677 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccc(F)c(C)c1 1776036902 ORINCQQSULBTLH-UHFFFAOYSA-N 286.306 3.668 30 20 CHED O=C(O)c1ccc(NN=C2C[C@H]3CCCC[C@@H]3C2)cc1F 1776076751 FGQBDMUBQZXAJM-GHMZBOCLSA-N 290.338 3.892 30 20 CHED N#Cc1ccc(/C=C/c2nc3cc(C(=O)O)ccc3o2)s1 1777566449 GRBQSMANGSUXCA-GQCTYLIASA-N 296.307 3.630 30 20 CHED CCOC(=O)Nc1cccc(OCc2ccccc2C#N)c1 21585337 CAQWNYAOJABLJD-UHFFFAOYSA-N 296.326 3.706 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1ccc(N(C)C)cc1 37268817 PNMYZPXOSIAFAG-LBPRGKRZSA-N 283.350 3.936 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1ccc(N(C)C)cc1 37268820 PNMYZPXOSIAFAG-GFCCVEGCSA-N 283.350 3.936 30 20 CHED Cc1ccc(C)c(Sc2nnc(C)c(C)c2C#N)c1 40217674 GOXAJKHVRIEWAJ-UHFFFAOYSA-N 269.373 3.733 30 20 CHED N#Cc1ccccc1Oc1ncccc1Br 42376431 INJDPLLYCQKKJA-UHFFFAOYSA-N 275.105 3.508 30 20 CHED Cc1ccc(C#N)c(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 50470128 DWQRVHFSXCONQT-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CN(CCC#N)C(=O)c1ccc(-c2ccc(F)cc2)s1 60657673 HEVNADCZFJPIPU-UHFFFAOYSA-N 288.347 3.540 30 20 CHED C[C@@H](CN(C)Cc1cccc(C#N)c1)c1ccccc1 66854047 HKGGWZMLNAOYOW-HNNXBMFYSA-N 264.372 3.794 30 20 CHED Cc1cc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)c(C)o1 67369920 FSOPFCZIVXGAFG-SECBINFHSA-N 275.739 3.990 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C#N)c(Cl)c2)CCO1 70348171 NIWZWNLTUWOGCX-LBPRGKRZSA-N 264.756 3.581 30 20 CHED C[C@@H](CCc1ccccc1F)C(=O)Nc1ccccc1C#N 73850290 XHRRIQRMFBVCER-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED CCN(Cc1ccccc1Cl)c1ncccc1C#N 75677350 IXVIIUFCJXCFSL-UHFFFAOYSA-N 271.751 3.633 30 20 CHED C=CCCCNc1cc(NC(=O)C2CC2)ccc1C 77245139 YWXXHNRMQMUNMQ-UHFFFAOYSA-N 258.365 3.722 30 20 CHED CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)c(C)c1 77356572 QWYQMSPBFXCOTP-UHFFFAOYSA-N 296.282 3.770 30 20 CHED CC(C)(C)c1cnc(NC(=O)c2cccc(C#N)c2)s1 81233786 ZTZUPRIQSAOTHZ-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C#CC[C@H](C)OC(=O)c1cccc(-c2csc(C)n2)c1 83786005 QEQSXCLOIVYFIB-NSHDSACASA-N 285.368 3.687 30 20 CHED CN(Cc1ccccc1Cl)C(=O)c1cc(C#N)cs1 84068922 YGMPEGHQJMRDQZ-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccccc1-c1ccccc1 84907610 WNLZJNFQHSYNAH-ZDUSSCGKSA-N 279.343 3.635 30 20 CHED CC1(C)CCCC[C@H]1NCc1cc(C#N)ccc1F 94325513 CSGSHKVMTSRMDJ-OAHLLOKOSA-N 260.356 3.756 30 20 CHED CC[C@H](CC(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 103638077 HWNYRWYVSKDFCH-ZBFHGGJFSA-N 278.355 3.842 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(OCC)c1 105009382 ZZCHTDJDEHAIFH-UHFFFAOYSA-N 262.353 3.515 30 20 CHED C=CCS[C@@H](C(=O)N(CC)CC)c1ccccc1 114757084 MEIVZJDKRRSMOT-CQSZACIVSA-N 263.406 3.515 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 116974058 IKGZCBFGTPQTHE-MNOVXSKESA-N 282.334 3.632 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 119328446 IDFXMHYJXUFRCE-NEPJUHHUSA-N 273.355 3.545 30 20 CHED C=C(C)CNCc1cc(C)c(C)cc1OC(F)F 119617528 RRNMMTVUZOVZEO-UHFFFAOYSA-N 255.308 3.571 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C(C)C)oc2c(C)cccc12 121621784 HKEDLDSVWLRLSH-CYBMUJFWSA-N 271.316 3.755 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@H]2CCCCO2)c1 122327912 ALCKEVNDXBYCGW-LLVKDONJSA-N 284.281 3.558 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)CCc1ccccc1 122506561 ITJYFUAKMJSEBZ-UHFFFAOYSA-N 295.386 3.686 30 20 CHED C[C@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 127791730 HIZKBYAUMKETSI-SNVBAGLBSA-N 287.344 3.571 30 20 CHED CCCCCCCCN1CCC(CC(=O)O)CC1 128832264 CSTHIYNQAANYIO-UHFFFAOYSA-N 255.402 3.534 30 20 CHED C[C@H](NCC(C)(C)C#N)c1sccc1Br 129202853 HIBRIRRZQZEKCR-QMMMGPOBSA-N 287.226 3.711 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cc(F)c(F)cc2F)cc1 129878588 IFCZGDJFVHAMMZ-AATRIKPKSA-N 287.240 3.872 30 20 CHED CCN(Cc1ccccn1)Cc1ccccc1C(C)(C)C#N 135280559 DDAJBNRJJJAIOE-UHFFFAOYSA-N 293.414 3.905 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 137132535 KJZLZUBKCXOVMD-WMLDXEAASA-N 299.418 3.668 30 20 CHED C#CCCCCNCc1ccccc1C(F)(F)F 150738767 UAWLQWKIFHGTPX-UHFFFAOYSA-N 255.283 3.599 30 20 CHED C[C@@H]1CC=CC[C@H]1COC(=O)c1c(F)cc(C#N)cc1F 152270710 DRALGSVUFRSAKX-PWSUYJOCSA-N 291.297 3.596 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)CCc1ccc2[nH]ccc2c1 154305262 NNPQXZGXLFKLAG-HNNXBMFYSA-N 284.359 3.582 30 20 CHED CC#CCCSCc1coc(-c2ccc(OC)cc2)n1 154929179 ZCSFIACAQJKRKI-UHFFFAOYSA-N 287.384 3.997 30 20 CHED C#CCCCCNC(=O)CCc1ccc(Cl)cc1Cl 156347556 SOVQJIIAUNKRHY-UHFFFAOYSA-N 298.213 3.846 30 20 CHED C=CCN(C)C(=O)Nc1cccc(Oc2ccccn2)c1 157519201 AXAZIXDCQVVJDA-UHFFFAOYSA-N 283.331 3.524 30 20 CHED N#CCC[C@H](NC(=O)NCc1cccs1)c1ccccc1 158966111 GLTUQKNKVXJKRT-HNNXBMFYSA-N 299.399 3.592 30 20 CHED CC1(C)CCC/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 159011106 SQYCPCACDSVXND-PEZBUJJGSA-N 299.414 3.686 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(CCC#N)Cc2ccco2)o1 159593655 WGLZKORJDDAIDD-XJKSGUPXSA-N 284.359 3.912 30 20 CHED CC1(C)CCC(C(=O)N(CCC#N)Cc2cccnc2)CC1 159731040 UOCFZXHLMDOWDU-UHFFFAOYSA-N 299.418 3.540 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 162667500 VGOFRXSINYDATK-KRWDZBQOSA-N 298.361 3.743 30 20 CHED N#Cc1ccc(CN2CCCCCCC2)c(Cl)c1 162861870 DNOHJGYRWVFGRI-UHFFFAOYSA-N 262.784 3.978 30 20 CHED C=C(C)CCOc1ccc(C(C)=O)cc1Br 168853853 SDIHLYQHXTXRKM-UHFFFAOYSA-N 283.165 3.997 30 20 CHED CCCCN(CC)C(=O)Nc1cc(C#N)cn1C(C)(C)C 171143008 JTVAAZAZJRSMRB-UHFFFAOYSA-N 290.411 3.769 30 20 CHED N#CCCCCNC(=O)CCc1ccc2ccccc2c1 171499864 VQVVLDQKMCPVRM-UHFFFAOYSA-N 280.371 3.582 30 20 CHED N#Cc1ccc(Cc2nc(-c3ccccc3Cl)no2)cc1 172054752 ZQRRIBXMPFJYFP-UHFFFAOYSA-N 295.729 3.852 30 20 CHED N#Cc1cccc(CNc2ccc(OCC3CC3)cc2)c1 172121184 JWSBKMQXBNCRLX-UHFFFAOYSA-N 278.355 3.959 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2)[C@H](c2ccccc2)CO1 174460915 OREARRJUEUIZKP-BEFAXECRSA-N 292.382 3.520 30 20 CHED CC(C)C[C@H](NCc1cccc(C#N)c1)c1ccccn1 177897282 ZMYZQBQPHPOHFR-SFHVURJKSA-N 279.387 3.830 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)O[C@@H](C#N)C1CC1 179408427 JNCWIMMLCRNLGF-PLWJUESGSA-N 275.735 3.589 30 20 CHED C[C@H](C1CC1)N(C)Cc1ccc(C#N)cc1Br 180930984 GBSWICFJWUKPLF-SNVBAGLBSA-N 293.208 3.551 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(C(F)(F)F)CC1 181390627 GCZOUXKKYIWLNN-NSHDSACASA-N 292.345 3.715 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ccc(F)cc1F 182610100 CHMBOEITXOKUAZ-LBPRGKRZSA-N 281.346 3.758 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2ccc(F)c(F)c2)cc1 182666989 JLIFQENVEMOSTN-NSHDSACASA-N 288.297 3.868 30 20 CHED CC[C@H](CC#N)NC(=O)c1sc2ccccc2c1Cl 183949031 FTQZWXIGXXQULQ-SECBINFHSA-N 292.791 3.977 30 20 CHED C#CCC(C)(C)c1nc(Cc2ccc(Cl)cc2)no1 184869782 KJJKTQDOBLDCCO-UHFFFAOYSA-N 274.751 3.615 30 20 CHED COc1ccccc1NCc1ccc(Cl)cc1C#N 187703257 NTNSHCIXYINCGN-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=CCN1CCC(N[C@H]2CC[C@](C)(c3ccccc3)C2)CC1 187977236 TWKCKMRFSXUKEU-PMACEKPBSA-N 298.474 3.737 30 20 CHED CCOc1ccc(C(C)=O)cc1CSCCCC#N 190874239 INFZZGCHQFIUJV-UHFFFAOYSA-N 277.389 3.825 30 20 CHED Cn1cc(CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1C#N 191230109 ONVRCNXIMYBJCF-QGZVFWFLSA-N 299.805 3.887 30 20 CHED Cc1cc(C)c(C#N)c(SCc2nccn2C(C)C)n1 195516624 VNDZYAAVPYOUQR-UHFFFAOYSA-N 286.404 3.640 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)cc1 213229514 WMUFUPRYBOWARP-FPLPWBNLSA-N 286.352 3.905 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 230951014 DKYOALUAEDIVJJ-RRFJBIMHSA-N 296.455 3.719 30 20 CHED C[C@@H]1SCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 235379407 WPCNURDDWJJNSJ-GZMMTYOYSA-N 286.322 3.883 30 20 CHED C#Cc1cccc(N[C@H]2CCCN(Cc3ccccc3)C2)c1 236695471 PTYKFSMTNSSRIE-FQEVSTJZSA-N 290.410 3.744 30 20 CHED C=C(C)[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1ccc(F)c(F)c1 248422630 DSDOLQBDIITTSB-GUYJKWIASA-N 291.341 3.744 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C[C@H]1C 248587529 GLLAIOILOFRVMT-CKEIUWERSA-N 299.418 3.524 30 20 CHED Cc1ccc(C)c(NCCOc2ccc(C#N)cc2)c1 253476662 ARKFOWKYBHKSFL-UHFFFAOYSA-N 266.344 3.666 30 20 CHED Cc1cccc(-c2[nH]ncc2/C=C\C(=O)c2ccco2)c1 255227965 LXXCIYPTXQLFEW-FPLPWBNLSA-N 278.311 3.874 30 20 CHED COc1ccccc1C=NOCc1ccccc1C 255622026 UHBPANVAPPYQLD-UHFFFAOYSA-N 255.317 3.554 30 20 CHED C[C@H](c1ccccc1)N1CC[C@@H](C#N)C[C@@H]1C(F)(F)F 261507773 MDAREMSNHKFCJR-YRGRVCCFSA-N 282.309 3.914 30 20 CHED C=C1CCN(C(=O)c2ccc(SC(C)C)cc2)CC1 264069272 FYHHVPXYWNDYCK-UHFFFAOYSA-N 275.417 3.979 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](C)c1ccccc1 268121483 BZKKVZWPTOIQKB-AWEZNQCLSA-N 257.377 3.675 30 20 CHED N#Cc1cc(Cl)ccc1N[C@@H]1CCOC2(CCC2)C1 268953889 JEFFXKDZSZCQSZ-CYBMUJFWSA-N 276.767 3.725 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1ccc(CC#N)cc1 270411893 XTZLFJMMOZJTLA-HUUCEWRRSA-N 292.382 3.675 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(C(C)C)on1 270678215 RQOOKUGHHCRPAA-UHFFFAOYSA-N 291.395 3.590 30 20 CHED N#Cc1ccn(CC2CCC(C(F)(F)F)CC2)c1 274397379 CSZDCCFYLBRCFX-UHFFFAOYSA-N 256.271 3.728 30 20 CHED C=CCC[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccco1 276387587 AWTWTTYJMDEPHC-CVEARBPZSA-N 297.402 3.550 30 20 CHED CC[C@@H](N[C@H](COC)c1ccc(C)o1)c1ccc(C#N)cc1 278383197 DFSJSRCRIOMCKC-IAGOWNOFSA-N 298.386 3.888 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(CN2CCCCC2)c1 278643298 ZJORIBOLEQHCEN-UHFFFAOYSA-N 299.418 3.551 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1CCCc1ccccc1 278832892 VFKDGBNNDQPMKO-KRWDZBQOSA-N 298.430 3.940 30 20 CHED C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 280067119 IOACOTFAZHACKZ-KGLIPLIRSA-N 284.403 3.748 30 20 CHED CC1(C#N)CN(C(=O)Nc2ccccc2-c2cccs2)C1 281033481 UNHGOBGRAROHAM-UHFFFAOYSA-N 297.383 3.792 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(OC(F)F)cc2F)C1 283064038 PVVNLVVYXSPFKO-UWVGGRQHSA-N 284.281 3.921 30 20 CHED CCOc1ccc(NC(=O)[C@](C)(C#N)CC)cc1Cl 284955990 CCVWVUUZQHBZGU-AWEZNQCLSA-N 280.755 3.617 30 20 CHED CC(C)C[C@@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 285736789 KQULIOMHFVLPFJ-GFCCVEGCSA-N 290.382 3.526 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(-c2ccccn2)s1 285803413 AODUUIJSTKKCIN-OAHLLOKOSA-N 287.388 3.746 30 20 CHED Cc1nsc(N2CCC(c3ccsc3)CC2)c1C#N 287009095 UWXHMQPUUNTFCD-UHFFFAOYSA-N 289.429 3.769 30 20 CHED CCOc1cccc(/C=N/[C@@H](C2CC2)C(F)(F)F)c1O 287363221 YLDPAHKKVXPKCQ-VFJJTOLMSA-N 287.281 3.551 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1nccn1-c1ccccc1 288197086 NWXQEQFDAHSHSX-KDOFPFPSSA-N 297.402 3.652 30 20 CHED C=CCC[C@@H](NCc1n[nH]cc1C)c1ccccc1 289480366 JZTLTZIZLNKTMC-OAHLLOKOSA-N 255.365 3.515 30 20 CHED COc1cc(C#N)ccc1CNC(C)(C)c1ccccc1F 292140005 MHXSVEVXWXLMSD-UHFFFAOYSA-N 298.361 3.731 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 293406784 FVWLOWWABJXGKM-LBPRGKRZSA-N 283.371 3.696 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CCCSCC#N 296532032 AZIFSVYDNHCCFT-INMHGKMJSA-N 288.460 3.900 30 20 CHED C=CCCCCCCNC(=O)Cc1cnccc1Cl 298560385 ZEFPXMIVZFAEIK-UHFFFAOYSA-N 280.799 3.530 30 20 CHED N#Cc1nc(N[C@@H]2CCc3cc(F)ccc32)ccc1Cl 301177264 NFCJXEJFVOMNAK-CYBMUJFWSA-N 287.725 3.845 30 20 CHED N#Cc1c(F)cccc1NCCc1ccc(F)cc1F 301225170 FSUBIYRKNSKVRR-UHFFFAOYSA-N 276.261 3.630 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@H](Cc2ccccc2)C1 301402808 DHZAYCWWFUSMSR-OAHLLOKOSA-N 280.346 3.766 30 20 CHED C=CCN(CC=C)C(=O)NCC1CCC(CC)CC1 302962654 CEBOYABQYZWZJA-UHFFFAOYSA-N 264.413 3.586 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc(C#N)c(C)n2)cc1 311796321 CWDLTPRYAXNJSF-GFCCVEGCSA-N 251.333 3.743 30 20 CHED CCOC1(CNc2nc(C)c(C#N)cc2Cl)CCCC1 312460954 YWZQWRAUXDJTGB-UHFFFAOYSA-N 293.798 3.676 30 20 CHED N#CCc1cccc(NC(=O)c2ccnc3ccccc23)c1 313466819 SNZHKUURKBFZJF-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CC(C)c1nnc(N=C(O)c2cccnc2C2CC2)s1 329319610 GDSOUHFVXGGDLP-UHFFFAOYSA-N 288.376 3.570 30 20 CHED N#Cc1c(N=C(O)[C@H]2CCCSC2)sc2c1CCC2 329604244 GTTDLEFZYSSSII-VIFPVBQESA-N 292.429 3.840 30 20 CHED CC[C@@H]1CCC[C@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)C1 329658540 NSIHZPBOKFRHTG-AGIUHOORSA-N 266.385 3.811 30 20 CHED CCc1nnc(C)cc1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329795713 WOZDBPRXTKUPIA-MELADBBJSA-N 287.407 3.621 30 20 CHED CC1(C(O)=Nc2ncc(-c3ccccc3)cn2)CCC1 330140627 XDOPAHCBXSLNMU-UHFFFAOYSA-N 267.332 3.922 30 20 CHED CC(C)c1nn(C)cc1N=C(O)c1cc[nH]c1C(C)C 330624674 RRLMPHBGTKPRCR-UHFFFAOYSA-N 274.368 3.631 30 20 CHED Nc1c(F)cc(Cl)cc1/C(O)=N/CC1CCCC1 330640087 HOADCSSHYXVZGY-UHFFFAOYSA-N 270.735 3.556 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@]1(C)CCO[C@H]1C 330850083 PLNNVMOLQFMVOQ-XHDPSFHLSA-N 296.436 3.522 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]1(C)CC=CCC1 335136506 ZSMLLGZKAVGONA-KSSFIOAISA-N 282.387 3.824 30 20 CHED C[C@@H](C(=O)N1CCC[C@H]1c1ccco1)c1cccc(C#N)c1 336036561 SHDBMKWGWKYODM-CJNGLKHVSA-N 294.354 3.618 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)c(Cl)cc1F 336296325 KFIGGBXEHLDRRW-SREIQFSDSA-N 287.121 3.621 30 20 CHED CSc1ccccc1[C@H](C)Nc1ncccc1C#N 336915196 AYNWTVWLWNVYPR-NSHDSACASA-N 269.373 3.848 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2cccc(C#N)c2C)c(C)o1 337937607 GSWZEZVPZBJDCZ-GFCCVEGCSA-N 282.343 3.568 30 20 CHED CCc1nc(C(C)C)ccc1CN(CCC#N)CC1CC1 339010944 NMZACOJNZCVIRT-UHFFFAOYSA-N 285.435 3.893 30 20 CHED CC(C)(CCC#N)CNc1ccc([N+](=O)[O-])c2cnccc12 340902379 QXRUHVQKBREGTO-UHFFFAOYSA-N 298.346 3.885 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cncnc1-c1ccccc1 341621940 WFDBOEVNJDPSPH-AWEZNQCLSA-N 295.386 3.618 30 20 CHED CCO[C@@H]1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1(C)C 341712511 QFBATMIXPOTLKD-RCCFBDPRSA-N 298.430 3.729 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC)c1cc(Cl)ccc1OC 341878277 MUZHVGXCHBIPPM-IUODEOHRSA-N 297.826 3.574 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cccc2ccccc12 343579783 DXORWHHPUGBERE-ZDUSSCGKSA-N 250.345 3.794 30 20 CHED C=CC1CCN(Cc2cc3c(cc2Cl)OCCO3)CC1 343879629 RQZGEVPGIHGZHH-UHFFFAOYSA-N 293.794 3.509 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccnc(-c2ccccc2)c1 348844410 NFFPETNKPZSFQD-CYBMUJFWSA-N 294.358 3.514 30 20 CHED C=CCCCCNCc1c[nH]nc1-c1ccc(OC)cc1 349670578 QYVMEFFMSGQFNU-UHFFFAOYSA-N 285.391 3.531 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc(C)cc(C)c1 352572472 IMWLWFXPWHXNAZ-UHFFFAOYSA-N 283.371 3.767 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](CCOC)c1ccc(C)o1 353032126 FASRKXVDVPEBLD-NWANDNLSSA-N 265.397 3.856 30 20 CHED N#Cc1cc(Cl)ccc1CNc1cccc2c1OCO2 358227459 UVACHAXKXFASHT-UHFFFAOYSA-N 286.718 3.552 30 20 CHED C=C(CC)COc1cccc(Oc2ncccn2)c1 358653779 ICLVCZJWIAPIQZ-UHFFFAOYSA-N 256.305 3.614 30 20 CHED C=C1CCN(c2ncnc3ccc(SC)cc23)CC1 360918662 KJTXJGDKZCPWKD-UHFFFAOYSA-N 271.389 3.508 30 20 CHED Cn1cc(CN2CCC[C@H]2/C=C\c2ccccc2)cc1C#N 361605182 XIZHKPPIAAYKTL-LPADLIQXSA-N 291.398 3.575 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 361859111 NMWSDQUHWKHGSX-WPRPVWTQSA-N 282.265 3.562 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc(C2=CCCC2)cc1 362116890 BTSIHXROSOISKC-MRXNPFEDSA-N 268.360 3.532 30 20 CHED CCC(CC)CN(CCC#N)CCOc1ccc(C#N)cc1 362188115 RGKSMIVPYNECDN-UHFFFAOYSA-N 299.418 3.589 30 20 CHED C=CCCCCCSCCC(=O)Nc1cccnc1 362470845 FRGWYNUWDZTQMK-UHFFFAOYSA-N 278.421 3.890 30 20 CHED C=C[C@@H](C)NC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C 362611584 CVZJHTGCRALNRV-CQSZACIVSA-N 297.402 3.608 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccccc3F)C2)C1 370105692 QIXGCGNINAQBEJ-XQLPTFJDSA-N 272.367 3.744 30 20 CHED N#CCC1(CN[C@H]2CCC[C@H]2c2ccccc2)CC1 370667444 MLZPAAOEXCNOOO-HOTGVXAUSA-N 254.377 3.606 30 20 CHED CC1(C)CN(c2cccc(F)c2C#N)[C@H]2CCC[C@H]21 378784486 OUENFZCYYAIKFB-DOMZBBRYSA-N 258.340 3.712 30 20 CHED CO[C@@H](C1CC1)[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 388359437 RYTSFGUBSZIDQG-YMTOWFKASA-N 298.308 3.802 30 20 CHED C[C@H]1CC[C@@H](C)C[C@@H]1NCc1ccc(C#N)c(F)c1 404837869 LGYLDQIOQIFQNV-WQGACYEGSA-N 260.356 3.612 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 409904046 KIXXSSHTPJEZGM-NSHDSACASA-N 297.320 3.986 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Oc2ccccc2)ccn1 410116944 LANBRDTYPZTYTJ-AWEZNQCLSA-N 296.370 3.958 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 410135598 GDBHBHBZDDPGLZ-YUTCNCBUSA-N 277.795 3.914 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(Oc2ccccc2)o1 410823839 BCTJQAPDKIDFMB-CYBMUJFWSA-N 298.342 3.836 30 20 CHED CSC1(C(=O)Nc2ccc(CC#N)cc2Cl)CCC1 411014804 LOYGECMCNZFYRB-UHFFFAOYSA-N 294.807 3.630 30 20 CHED CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)c1cccc(C#N)c1 411898066 XZIPIJRXCGDHEI-ZNOIYHFQSA-N 292.382 3.521 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CS[C@H](C)C1)c1ccccc1 412578404 CGMUPHNYXZPBJY-KBMXLJTQSA-N 289.444 3.747 30 20 CHED N#Cc1cccc(SCCOCC2CCCC2)c1 413000062 OBKPQRITSKNIBQ-UHFFFAOYSA-N 261.390 3.857 30 20 CHED CC(C)C[C@H](NC(=O)CSCCC#N)c1ccccc1 413017542 YYRSPLGHZILBRQ-HNNXBMFYSA-N 290.432 3.537 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1ccccn1 414291689 BMTNRJRWLWOTFH-NVXWUHKLSA-N 266.388 3.920 30 20 CHED C=CCC[C@H](C)Nc1ccc(CN(C)C)cc1F 414503051 VLFUIJIZYFZBIA-LBPRGKRZSA-N 250.361 3.654 30 20 CHED N#Cc1cccc(CCNCc2cccc(C3CC3)c2)c1 421396629 RGQMNENJRXPDDW-UHFFFAOYSA-N 276.383 3.768 30 20 CHED Cc1cc(C)c(C(=O)N2CCc3c(C#N)cccc32)c(C)c1 421653081 WQRUXVHVRZCYDR-UHFFFAOYSA-N 290.366 3.686 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2N[C@@H]2CC[C@H](C#N)C2)cc1 424320265 FYZGOKGWRJHQLL-DZOHQFGASA-N 268.404 3.913 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[C@@H]1C 424610962 CNYMIGLFWWSLKN-YJBOKZPZSA-N 296.414 3.899 30 20 CHED C=CCCCCCN(C)c1nc(C2CC2)ns1 426898308 LLKGRDCTGRYLIC-UHFFFAOYSA-N 251.399 3.598 30 20 CHED C[C@H](CCc1ccccc1)CNCC1(CC#N)CC1 430060901 PBKMBTIYYCPLRW-OAHLLOKOSA-N 256.393 3.539 30 20 CHED N#Cc1cccc(NCCSCc2ccccc2)c1 430760100 IHJWSSLXZBQICO-UHFFFAOYSA-N 268.385 3.904 30 20 CHED COc1cccc2c1CCCN2Cc1ccc(F)cc1C#N 433312425 QPKLAFXVTPAYBW-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CCC(=O)c1cccc(NCC#Cc2ccc(F)cc2)c1 433494691 XDZUBVMMITYUBN-UHFFFAOYSA-N 281.330 3.882 30 20 CHED Cc1cc(OCc2cn3cc(Cl)ccc3n2)ccc1C#N 434651424 WJHSXGRREUMYJJ-UHFFFAOYSA-N 297.745 3.747 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(C#N)cc1 437643178 BEZQSEDQXDKYKV-BBRMVZONSA-N 285.391 3.991 30 20 CHED CCOc1cc(Cl)ccc1N[C@@H]1CC[C@H](C#N)C1 442880233 XAZIBVIZSFPPGN-CMPLNLGQSA-N 264.756 3.843 30 20 CHED COC(=O)c1ccc(C(C)C)c(N[C@@H]2CC[C@@H](C#N)C2)c1 442880640 ZFBFACKZIFVCDK-TZMCWYRMSA-N 286.375 3.701 30 20 CHED CC#CCCN1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 444701997 XLGFLIPRLVUQCU-CZUORRHYSA-N 277.795 3.515 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C2CC2)cn1 446049053 XNHNRORCKMPGEX-UHFFFAOYSA-N 272.392 3.777 30 20 CHED C=CC1CCN(C(=O)NCC(C(C)C)C(C)C)CC1 446216424 RKCUXQVYHDASDZ-UHFFFAOYSA-N 266.429 3.522 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@H]1C)c1cc(Cl)ccc1Cl 448662415 BNOWPTJPCGIAKC-TVLCNXBWSA-N 297.185 3.720 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 448685413 XRXUWDIBIBXNAF-ULQDDVLXSA-N 269.388 3.637 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 448909010 HYRBQQZNOLIZEZ-JYJNAYRXSA-N 276.424 3.601 30 20 CHED C=CCC[C@@H](CCC)NCc1ncc(C(F)(F)F)cn1 449471277 MAVYQWLCHQLGJS-GFCCVEGCSA-N 287.329 3.720 30 20 CHED CC(C)[C@@H](Nc1nccc(C#N)n1)c1ccc(Cl)cc1 450235256 XAMSSUQMGIZIDK-CQSZACIVSA-N 286.766 3.811 30 20 CHED C[C@@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1ccc(Cl)cc1Cl 451225444 DUAFAUQLUPMMHH-NUPCCRGMSA-N 297.185 3.720 30 20 CHED C=C(C)CCNC(=O)[C@H](CC)Oc1ccccc1Cl 452717571 MAFDSCSUGPRUTP-ZDUSSCGKSA-N 281.783 3.580 30 20 CHED CCc1noc(C)c1CNc1ccc(CC#N)cc1Cl 453138118 WGCDVGSKKCNHCP-UHFFFAOYSA-N 289.766 3.877 30 20 CHED Cc1cccc([C@H](c2noc([C@]3(C#N)C[C@H]3C)n2)C(C)C)c1 453177721 GOIYYTBASFZGBX-SIIHOXLZSA-N 295.386 3.967 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(C)c1C 453330177 AVZFUXVEYIBQKN-OIISXLGYSA-N 259.393 3.688 30 20 CHED CC/C=C\CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 454425879 AKYZMPMNEMONLA-WAYWQWQTSA-N 271.364 3.575 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1c(F)cccc1OC 455166909 ULQCEYVXBSHOJC-UHFFFAOYSA-N 280.343 3.558 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 455308550 ATUQMFOARRLXAN-INIZCTEOSA-N 286.419 3.769 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1O2 455634579 WMVWUPYUOZMUAL-GVDBMIGSSA-N 291.435 3.539 30 20 CHED CC(C)[C@H]1CN(C(=O)C2(C#N)CCCCC2)[C@@H]1C(C)C 456324121 HNXOIBGEUHBMLI-HUUCEWRRSA-N 276.424 3.599 30 20 CHED C=CCC1(C(=O)N[C@@H](C2CCC2)C2CC2)CCCC1 457230650 DGVDIGLTVHYVSD-HNNXBMFYSA-N 261.409 3.818 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@H]1CC 460548240 YNPFZXILDGEDOY-RBSFLKMASA-N 290.455 3.993 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@H](C)[C@H]1CC 460555227 KMBIDXADKDAKBR-UONOGXRCSA-N 276.428 3.602 30 20 CHED CCC[C@H]1[C@H](C)CCCN1Cc1cccc(C#N)c1 464730035 CXDLFUUGQGMSAS-PBHICJAKSA-N 256.393 3.959 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(O[C@@H](C)CC)cc1 465153461 SHINUOJDUSYJJI-RYUDHWBXSA-N 262.353 3.560 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H](C(C)(C)C)C1 466365833 AJHGRKQGXTXDOK-UONOGXRCSA-N 266.429 3.809 30 20 CHED C=CCC[C@@H](C(=O)Nc1cncc(F)c1)c1ccccc1 466459995 HFKQNFHBLWBZFK-MRXNPFEDSA-N 284.334 3.909 30 20 CHED C=CCCCCCN(C)C(=O)NCC1(CCC)CC1 470173110 IBOJLMBRWMEILL-UHFFFAOYSA-N 266.429 3.955 30 20 CHED C=CCCCCNC(=O)N1CCC2(CCCC2)CC1 472865807 ONGWYWRGNHKGBR-UHFFFAOYSA-N 264.413 3.709 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 474271657 QUZPDYFCILFWPG-CHWSQXEVSA-N 287.407 3.611 30 20 CHED C=CCNC(C)(C)c1ccc(OC(F)(F)F)cc1 475711857 XIXIBEHFURSRBE-UHFFFAOYSA-N 259.271 3.596 30 20 CHED C=CCn1c(SCC#CC)nnc1-c1ccc(C)cc1 479108635 OJVWDNPSHLQIAF-UHFFFAOYSA-N 283.400 3.555 30 20 CHED Cc1cccc(CCCN(C)Cc2cccc(C#N)c2)c1 480781987 SGDRUMOSQZVCOX-UHFFFAOYSA-N 278.399 3.931 30 20 CHED CCN(CC)C[C@H]1CCCC[C@@H]1NCCCC(C)(C)C#N 482152475 RCGNWRCMWLJNND-SJORKVTESA-N 293.499 3.807 30 20 CHED CC(C)CN(CCc1ccccc1)Cc1cc(C#N)n(C)c1 483149997 OSSRTFJLROCCQL-UHFFFAOYSA-N 295.430 3.597 30 20 CHED C=CCC[C@@H](CC)NCc1noc(-c2ccccc2C)n1 483306958 JNBLNLFAMNNCOI-CQSZACIVSA-N 285.391 3.879 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(F)c(CC)c2)CC1 486439856 ZAKFBEZKPXVGCI-UHFFFAOYSA-N 276.355 3.818 30 20 CHED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H]1C 487402427 XGESALJEDISBPJ-ZIAGYGMSSA-N 256.393 3.576 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1C 489464032 NYGCRRPPACSKIO-CQSZACIVSA-N 292.810 3.627 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(Cl)c(SC)c1 491712073 WKQPRAHBFONUQQ-UHFFFAOYSA-N 282.796 3.549 30 20 CHED CCC(C)(C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505983319 ZOXXXZILVHKZMS-LBPRGKRZSA-N 298.308 3.822 30 20 CHED C=CCOc1ccc(CN(C)[C@@H](C)CCC)cc1OC 506994807 LPSFVAPRIJHVGM-AWEZNQCLSA-N 277.408 3.880 30 20 CHED C=CCCCC[C@H](C)NCc1cn2ccccc2n1 508749737 WZCRBWHDLRHWPG-AWEZNQCLSA-N 257.381 3.559 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H](CC)C1 508810946 FOQBHFMMHIAQTB-KGLIPLIRSA-N 276.428 3.604 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)C(C)(F)F 509849025 JMCGTTXMIUNWGG-CYBMUJFWSA-N 281.346 3.883 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCC(C)(C)CCC#N 513113652 QNJPREDEKDSAPX-RBSFLKMASA-N 291.439 3.679 30 20 CHED Cc1c([C@@H](C)NCc2ccc(C#N)cn2)oc2ccccc12 514684097 LSWLYUXOOIZJOZ-CYBMUJFWSA-N 291.354 3.859 30 20 CHED C=C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 521454860 SWFUDGZWENFGQO-UHFFFAOYSA-N 284.186 3.715 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)C(C)(C)C 524537669 ZJDAWNWUZGICCI-AWEZNQCLSA-N 289.419 3.892 30 20 CHED C=CCCCNc1ccc(C(=O)NCC(C)C)cc1C 524839838 FZEYVKOXRFXHJN-UHFFFAOYSA-N 274.408 3.759 30 20 CHED CN(CCCSCC#N)[C@H]1CCCc2ccccc21 525308431 OKQKFQGESUDSLQ-INIZCTEOSA-N 274.433 3.643 30 20 CHED CC1(C)COc2cc(NCc3ccc(C#N)cc3)ccc21 527742199 CBSQSANZXRMFRE-UHFFFAOYSA-N 278.355 3.840 30 20 CHED COCc1ccc(NCc2cnc(C3CC3)s2)cc1C#N 527762255 IUANFZCRRWSZOV-UHFFFAOYSA-N 299.399 3.651 30 20 CHED CCc1nc2cc(NC(=O)C(C#N)(CC)CC)ccc2o1 528056462 CCPCGMLNNAUKRM-UHFFFAOYSA-N 285.347 3.659 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cnc2ccsc2c1 532893179 KUHVGSWLWNQMOJ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C(C)[C@H](CC(=O)N(C)C1CCCCCC1)OCC 534416221 RBCVAFMNCXDPKG-HNNXBMFYSA-N 267.413 3.539 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1CCC)OCC 535137983 OQUOTCRONUDIIQ-INIZCTEOSA-N 275.392 3.949 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccccc1Cl)C1CC1 536822059 PJQQMYSCXKXIHX-LBPRGKRZSA-N 277.795 3.696 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CSc2ccccc21 540490905 ZKIRHGSPLHOEGY-JSGCOSHPSA-N 290.432 3.877 30 20 CHED C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(CC#N)CC1 543810513 YMASMVSPMFZGTF-LBPRGKRZSA-N 294.345 3.975 30 20 CHED Cc1ccccc1C[C@H](C)Nc1nccc(C)c1C#N 544068000 YYSZHEROJJKEQM-AWEZNQCLSA-N 265.360 3.613 30 20 CHED N#CCC[C@H](C#N)CNCc1ccccc1OC1CCCC1 548926142 NCGXNAAKGAGMNF-OAHLLOKOSA-N 297.402 3.541 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@](C)(CC)C1 549667699 DKUBKTPCJWSDST-KRWDZBQOSA-N 290.455 3.994 30 20 CHED C=CCSCCNC(=O)c1cc(F)c2ccccc2c1 550210562 IETKFMHPHNKSAU-UHFFFAOYSA-N 289.375 3.628 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)c1cccc(C)c1C 551516093 WKMZRGUPTNIRON-UHFFFAOYSA-N 296.345 3.981 30 20 CHED CC(C)(C)[C@H]1CC[C@@H]1NCCc1cccc(C#N)c1 554586963 YRRFBGOGWBEKCE-HOTGVXAUSA-N 256.393 3.515 30 20 CHED C[C@@H](NC(=O)NCC1(CC#N)CC1)c1ccc(C2CC2)cc1 557105937 ZZBURUBGOREXJO-CYBMUJFWSA-N 297.402 3.618 30 20 CHED C=CCOc1ccccc1CN[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 557521644 RABHTNBCHYCXFF-YSIASYRMSA-N 291.394 3.679 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](CN(C)C)c1ccc(F)cc1 558255343 LLEOZTZVLJYRIN-ZQIUZPCESA-N 278.415 3.619 30 20 CHED CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C(C)C 566720529 JLOARGKRVZUTRP-CYBMUJFWSA-N 289.427 3.503 30 20 CHED CC(C)C(CNCCc1cccc(C#N)c1)C(C)C 573271840 ADRVJLKDSTWCSF-UHFFFAOYSA-N 258.409 3.619 30 20 CHED N#Cc1ccc(CN[C@@H]2C=CCCC2)c(C(F)(F)F)c1 579537292 BHXMAYUHAKTKFX-CYBMUJFWSA-N 280.293 3.775 30 20 CHED C=CCN(C)C/C(C)=C\c1ccccc1OC(F)F 582518149 JUUPJMUIGSBOHZ-BENRWUELSA-N 267.319 3.809 30 20 CHED C=CCn1c(C)nnc1N1CC2(CCCC2)c2ccccc21 583350142 LKTMXEXBOZPZKH-UHFFFAOYSA-N 294.402 3.736 30 20 CHED Cc1cccc(C2=CCN(c3cc(C#N)cc(C)n3)CC2)c1 588011257 UMGAKHPWSXVRNN-UHFFFAOYSA-N 289.382 3.864 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(C#N)c2)cnn1C(C)C 588559731 YQNBVWNNKFFWFF-FPLPWBNLSA-N 279.343 3.540 30 20 CHED CCc1ccc(C(=O)/C=C\c2cn(C(C)(C)C)nn2)s1 588580965 YSXDSKWISHBSDF-VURMDHGXSA-N 289.404 3.553 30 20 CHED N#CCCCCCC(=O)Nc1ccccc1Cl 588750369 VSRAKZFRFGIHBV-UHFFFAOYSA-N 250.729 3.753 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 590709657 WLNJVURBZPBTTC-DNVCBOLYSA-N 296.414 3.955 30 20 CHED C[C@@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CS1 591192099 OAHGTBGCKYUCIF-PWSUYJOCSA-N 275.421 3.557 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H](C1CCCCC1)C1CCC1 592881783 OILKKDKEPVCNHN-QGZVFWFLSA-N 299.418 3.674 30 20 CHED CC(C)c1csc(Sc2ccncc2C#N)n1 593496623 UOGFYENDYSSGMC-UHFFFAOYSA-N 261.375 3.684 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccco1 595062136 QWTMPQACVKAHLH-XGKMFUNXSA-N 295.448 3.566 30 20 CHED CCCC[C@H](CCC)CNC(=O)N1CCC[C@@H](CC#N)C1 595553501 IZUMMXWQCXDGKI-HOTGVXAUSA-N 293.455 3.928 30 20 CHED N#CC[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 595610217 UAQOLABECHAJPM-CQSZACIVSA-N 297.427 3.936 30 20 CHED N#CC[C@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 595611708 NDBBOTDIWYHBHE-CYBMUJFWSA-N 299.349 3.606 30 20 CHED CN(Cc1ccccc1F)C(=O)CC1(C#N)CCCCC1 596655367 VZCOCNSSORQGRE-UHFFFAOYSA-N 288.366 3.648 30 20 CHED CN(CCCc1ccccc1)C(=O)CC1(C#N)CCCCC1 596805568 HTCWAGCELJYMQI-UHFFFAOYSA-N 298.430 3.942 30 20 CHED CC(C)c1cccc(C(=O)N(CCC#N)Cc2ccco2)c1 597024401 JBGIQYHNTAOOSI-UHFFFAOYSA-N 296.370 3.959 30 20 CHED C[C@H](CC(=O)N(C1CC1)[C@H](C)C#N)c1c[nH]c2ccccc12 598136279 GNVFEMYIJLBLSC-CHWSQXEVSA-N 295.386 3.565 30 20 CHED COc1cc(CNc2ccc(F)c(C#N)c2)ccc1Cl 600847501 DVAAZYGLDIMJGG-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCOc1ccc(CNC[C@](C)(O)CCC)cc1Cl 602278407 SNSJUDWBJORRNU-MRXNPFEDSA-N 297.826 3.546 30 20 CHED COc1cc(C)ccc1N[C@@H](C)CC1(C#N)CCOCC1 602491739 MDQKIMKKNDLFRJ-AWEZNQCLSA-N 288.391 3.515 30 20 CHED COc1ccc([C@H](C)NC[C@@H](C)CCC#N)c(C)c1OC 602661357 DGRBUDUSHAMNRU-JSGCOSHPSA-N 290.407 3.603 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 607601310 VKHPOIKOWZTSMV-QZTJIDSGSA-N 299.414 3.950 30 20 CHED CCC[C@H](C#N)NC(=O)c1sc2ccc(F)cc2c1C 608816256 WHNSASADZIXZFM-LLVKDONJSA-N 290.363 3.771 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 610220177 BSUUZBRXPMWRRR-NSHDSACASA-N 284.746 3.954 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 613281569 PGGNKQFIQVTUHG-DLBZAZTESA-N 293.326 3.609 30 20 CHED C=CC[C@H](CC)NC(=O)CSCc1ccc(F)cc1 619607847 WRKVUYCERQNLEF-AWEZNQCLSA-N 281.396 3.530 30 20 CHED Cc1cccc(C(=O)NCc2ccc(C#N)c(Cl)c2)c1C 619768254 WDMYZGJHODLJJZ-UHFFFAOYSA-N 298.773 3.759 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CCc1ccccc1)C(F)F 623622715 CCZMTGYZKFYOBE-GXTWGEPZSA-N 296.361 3.517 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1C(=O)CC)OCC 637703538 QNPRZLHGQYURED-MRXNPFEDSA-N 289.375 3.589 30 20 CHED C=C(C)Cn1c(-c2ccccn2)nnc1N(CC)[C@H](C)CC 669302917 UKYCWEMSQDXGNV-CQSZACIVSA-N 299.422 3.541 30 20 CHED COc1ccc([C@H](C)N[C@@H](C)CC(C)(C)C#N)cc1 695815167 KHZDJWMCHIZRHG-STQMWFEESA-N 260.381 3.674 30 20 CHED CC(C)c1cnc(COc2ccc(C#N)cc2Cl)o1 700823050 DRUZLPZLPBAMSD-UHFFFAOYSA-N 276.723 3.902 30 20 CHED C=C(C)CNC(=S)N1CC2(CCC2)c2c(F)cccc21 726132728 OHZOPSVIOMEAHK-UHFFFAOYSA-N 290.407 3.518 30 20 CHED C[C@@H]1CCCC(=NNc2cnc3ccccc3n2)C1 727258859 VEJMLBLGOVGTHD-LLVKDONJSA-N 254.337 3.608 30 20 CHED C/C(=C\C(=O)O[C@@H](C)c1cccc(C#N)c1)C1CC1 727638970 APJNHKGMJOALBQ-OBIHZWKSSA-N 255.317 3.519 30 20 CHED CCCCCCCCC(=O)Nc1cc(C2CC2)[nH]n1 728606273 BZPQWHVOFPSCBP-UHFFFAOYSA-N 263.385 3.976 30 20 CHED C=CCCOC(=O)CCCOc1ccc(Cl)c(C)c1 729072666 UDLZZCMJODKVNL-UHFFFAOYSA-N 282.767 3.927 30 20 CHED CC(CSC(C)(C)C)=NNCc1ccc(F)c(F)c1 729637312 KMAWAWRCHXPUOH-UHFFFAOYSA-N 286.391 3.962 30 20 CHED C#CCOc1cccc(Oc2ccc(F)cc2[N+](=O)[O-])c1 730566934 IEYDAZUHYJMHHH-UHFFFAOYSA-N 287.246 3.538 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=Nn2cnc3ccccc32)o1 732766782 VWRSPTLWKMGVPY-YPMHNXCESA-N 265.316 3.635 30 20 CHED C#CCOc1ccccc1CNc1cccc(F)c1C(C)=O 734145449 RRKWTXJYZDSDFP-UHFFFAOYSA-N 297.329 3.652 30 20 CHED C=CC[C@@H](NC(=O)/C=C(/C)c1ccccc1)c1ccncc1 734234245 KFJXLNSJDSLNFI-KGUUONHRSA-N 292.382 3.919 30 20 CHED C#Cc1cccc(NC(=O)NC(C)(C)c2cccs2)c1 735169432 HYHMBWFAQODSKY-UHFFFAOYSA-N 284.384 3.786 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2cccc(CC#N)c2)c1 736031336 XXNKRUBSUYCFQQ-AWEZNQCLSA-N 279.339 3.979 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1CC1CCCCC1 736398641 BPUZBIBEKMXUHK-CQSZACIVSA-N 284.831 3.883 30 20 CHED CC(C)c1cccc(N[C@H](C(=O)O)c2ccc(C#N)cc2)c1 736521207 LZCHAAHAYIIPFG-KRWDZBQOSA-N 294.354 3.919 30 20 CHED C#CC[C@H](OC(=O)c1cc2occc2s1)c1ccccn1 737329137 FCXNFYUDNVVGCP-LBPRGKRZSA-N 297.335 3.811 30 20 CHED CCOc1cccc(/C=N\[C@@H]2C[C@]2(C)c2ccccc2)c1O 741464664 QINDJPDCAWADRV-LJBWOGQWSA-N 295.382 3.940 30 20 CHED COCc1ccc(C=NNc2cc(C)ccc2C)cc1 741755384 BHCUIRGRPUZYQQ-UHFFFAOYSA-N 268.360 3.896 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H](C)Oc1cccc(C)c1 741844684 PHOPTKPVILULSS-ONDHQXCVSA-N 299.370 3.596 30 20 CHED C=CCCOC(=O)c1cccc(-c2csc(C)n2)c1 744049151 JMRYQCXCJMUFDF-UHFFFAOYSA-N 273.357 3.851 30 20 CHED O=C(/C=C/c1ccsc1)c1cnn(-c2ccccc2)c1 746346829 IIURBIKXLCAKQF-VOTSOKGWSA-N 280.352 3.830 30 20 CHED COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1ccccc1 747705638 PIYZSGFRCOQAEF-FLIBITNWSA-N 295.338 3.550 30 20 CHED Cc1cccc2c1OC/C(=C\c1cc(C#N)cs1)C2=O 748440132 HZBRXPRFUMOXOQ-WUXMJOGZSA-N 281.336 3.587 30 20 CHED Cc1cccc2ncc(/C=C3\CCc4ccccc4C3=O)n12 748993599 ARGNZTBXMCLJES-RVDMUPIBSA-N 288.350 3.855 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 753944137 SURDCJNECAVUMI-UHFFFAOYSA-N 299.399 3.652 30 20 CHED C#C[C@H](CC)NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 754358406 ZICDFAWNAFIHLX-LSDHHAIUSA-N 286.419 3.593 30 20 CHED C#C[C@@H](CC)NC(=O)C(C)(C)c1ccc2ccccc2c1 754366029 DYGHJZRDLGYRFG-KRWDZBQOSA-N 279.383 3.645 30 20 CHED CCCCNN=C(C)c1cc(Cl)c(N)c(Cl)c1 754706507 LKJUHTVQEAAOOY-UHFFFAOYSA-N 274.195 3.689 30 20 CHED COc1cccc2c1CCC(=NNc1ccccc1)C2 754900403 GBEPYFHSNXCWLW-UHFFFAOYSA-N 266.344 3.652 30 20 CHED O=C(O)c1ccc(NN=C[C@H]2C[C@H]2c2ccccc2)cc1 755455158 LNOGVYOSURHEBR-ZBFHGGJFSA-N 280.327 3.586 30 20 CHED CCCCCCCCCCNC(=O)c1ccon1 755487725 VIAQIPUIAOTHDO-UHFFFAOYSA-N 252.358 3.545 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1nccn1C 755773880 WQWHAWGMRKETHD-UHFFFAOYSA-N 283.162 3.563 30 20 CHED Cc1ccnc(NN=Cc2cccc(OCCCC#N)c2)c1 755900570 LLDKYCFUIMGWEW-UHFFFAOYSA-N 294.358 3.519 30 20 CHED C#CC[C@@H](NC(=O)NCc1sccc1C)c1ccccc1 757016137 NIOQLUBVQBZMTN-OAHLLOKOSA-N 298.411 3.620 30 20 CHED CC(C)CON=Cc1ccc(OCC(F)(F)F)c(F)c1 758130558 XAJPSCFDPHSXAU-UHFFFAOYSA-N 293.260 3.773 30 20 CHED CCC(C)(C)CC(=O)OCc1ccc(F)c(C#N)c1 758952974 JRPCQZZRYFIILF-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(Cl)cc1OCC 759517379 BQMYRMFXRBWXGQ-UHFFFAOYSA-N 289.162 3.613 30 20 CHED Cc1ccc(CC(=NNc2ncc(F)cn2)C(C)C)cc1 760252940 AIWPUDUSAVSGDE-UHFFFAOYSA-N 286.354 3.591 30 20 CHED C=CCCC(=O)COC(=O)/C=C(/CC)c1ccc(C)cc1 761400764 BEVCQFCFIWFMRJ-QINSGFPZSA-N 286.371 3.867 30 20 CHED C#CCCCC(=O)N1CC2(CCCC2)c2cccc(F)c21 762672073 MIVIAPKLSZSZCP-UHFFFAOYSA-N 285.362 3.788 30 20 CHED CCCC1(C(=O)O[C@H](C)c2cccc(C#N)c2)CC1 764611464 BVFPLKNGQQATGV-GFCCVEGCSA-N 257.333 3.743 30 20 CHED Clc1ccc(C=NNc2ncnc3ccsc23)cc1 764839859 AQWWSUXGOOQSSW-UHFFFAOYSA-N 288.763 3.791 30 20 CHED Cc1ccc(C=NNc2cccc(Br)c2)cn1 764905256 JWWKXXAPRCAAQJ-UHFFFAOYSA-N 290.164 3.599 30 20 CHED Cn1cc(NN=C2CCC(C3CCCCC3)CC2)cn1 766478311 OYSUVFPTQWAYSW-UHFFFAOYSA-N 274.412 3.959 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1c(F)cccc1F 768746411 RFOVAMDQWGUBJQ-UHFFFAOYSA-N 295.329 3.771 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](F)c1ccccc1)c1ccncc1 769375282 KOOMVBADLVMFHV-CVEARBPZSA-N 284.334 3.526 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1CCC[C@@H]1C 769439098 ACUGGCBUTOLLET-GOEBONIOSA-N 287.378 3.614 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](F)c1ccccc1 769469279 KUOVXXLZCYZJIE-AWEZNQCLSA-N 276.355 3.676 30 20 CHED O=C1c2ccccc2CCN1N=C/C=C/c1ccc(F)cc1 769597430 HVCSBQREHXITHF-HRXBDDFPSA-N 294.329 3.523 30 20 CHED C=CC[C@@H]1N(C[C@@H]2CC3(CCC3)C(=O)O2)CCCC1(C)C 769954885 XXJOWRAVHLXWBJ-GJZGRUSLSA-N 291.435 3.539 30 20 CHED Clc1cscc1C=NNc1ncnc2ccsc12 771886710 YYTVWHBXKMYOCP-UHFFFAOYSA-N 294.792 3.852 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@H](C2CC2)C1 773077633 HQIXWODROGEPHH-ZDUSSCGKSA-N 272.396 3.968 30 20 CHED C#CCCCCC(=O)NCc1csc2ccccc12 773248045 SKXYZIBEJJEKOI-UHFFFAOYSA-N 271.385 3.711 30 20 CHED COc1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc1C1CC1 774202541 KQHHGJDXFSWEBH-OAHLLOKOSA-N 287.359 3.668 30 20 CHED C=CCOc1cccnc1C(=O)OC[C@@H]1CCC[C@@H](C)C1 775112813 OEFFLFXKLNFYTH-ZIAGYGMSSA-N 289.375 3.630 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)Nc1ccc(CC)cc1 775407695 CTGUTDGEAIJUER-UHFFFAOYSA-N 298.308 3.669 30 20 CHED C=CCN(Cc1c(C2CC2)nc2sccn12)C(C)C 775656658 LVQSPNQFQFIHLG-UHFFFAOYSA-N 275.421 3.670 30 20 CHED Cc1cccc(C)c1N=C1NN=C(CC2CC2)CS1 775738486 BETLPKNERHLIET-UHFFFAOYSA-N 273.405 3.783 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnc(Cl)c(C)c1 776010415 RUJVNJVRLILWAI-NSHDSACASA-N 281.787 3.910 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1c(F)cccc1Cl 776371619 UTQLKYLHZCXBJL-UHFFFAOYSA-N 283.730 3.505 30 20 CHED N#C[C@H](OC(=O)Cc1cccc(Cl)c1)C1CCCCC1 776383865 SNRWPBUWMGIHTO-HNNXBMFYSA-N 291.778 3.898 30 20 CHED Fc1ccc(C=NNc2cccc3c2CCCC3)cn1 777433131 VQJIFBQQKCUBMH-UHFFFAOYSA-N 269.323 3.546 30 20 CHED CCc1nc(C=NOC2CCCCC2)c2ccccn12 777457203 OMWAQGPLMJHMSF-UHFFFAOYSA-N 271.364 3.580 30 20 CHED CCn1c(C)cc(C=NNc2cc(Cl)ccn2)c1C 777913609 OHIYROJDHKYKIO-UHFFFAOYSA-N 276.771 3.619 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OCC)c(F)c1 779853521 HOQWRSMKSLCWPI-UHFFFAOYSA-N 277.339 3.747 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1ccc2ccccc2n1 780187075 CKWLOFWCGIJQEJ-UHFFFAOYSA-N 289.338 3.703 30 20 CHED COc1ccc(NN=Cc2cc(Cl)ccc2Cl)nc1 780275545 ZGXNGMPVOMTFFO-UHFFFAOYSA-N 296.157 3.843 30 20 CHED CCCCC[C@](C)(CC)C(=O)N(C)C[C@@H](C)C#N 780449077 SXRIGVMYFIBPCS-ZFWWWQNUSA-N 252.402 3.601 30 20 CHED Fc1cc(NN=C2CCc3cc(Cl)ccc32)ccn1 781129900 NAHSPOHZFQUYLN-UHFFFAOYSA-N 275.714 3.637 30 20 CHED Cc1oc2ccccc2c1C=NN1Cc2ccccc2C1=O 781594790 GJZZOCTXBNKZAW-UHFFFAOYSA-N 290.322 3.731 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Oc1ccc2ccccc2c1 782196948 CIEHXXLVEIZWQO-SFHVURJKSA-N 284.355 3.974 30 20 CHED Cc1cc(COC(=O)c2c[nH]c3ccccc23)ccc1C#N 782621753 XWAKOYKYEPSXBW-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C=CCN(Cc1cc(Cl)cc2c1OCC2)C(C)C 783414067 HFNKQWUNJRYNTJ-UHFFFAOYSA-N 265.784 3.671 30 20 CHED CC(=NNCc1ccc(Cl)cc1Cl)[C@@H]1CCCO1 783825910 FFDPBTKZHHOCJB-ZDUSSCGKSA-N 287.190 3.638 30 20 CHED N#Cc1ccc(NN=Cc2ccsc2)cc1Cl 783878484 VWKWAYWOXDBJJJ-UHFFFAOYSA-N 261.737 3.719 30 20 CHED CC(C)(C#N)CC(=O)OCc1ccc(Cl)cc1Cl 783960060 RKNJRXXVZBZURW-UHFFFAOYSA-N 286.158 3.976 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)Cc2ccccc21 784123842 GOBCHHSCWQBDRR-OAHLLOKOSA-N 276.383 3.872 30 20 CHED C#Cc1cccc(N[C@H](C)CC(=O)Nc2cccc(C)c2)c1 784662801 KMWWAIQGQKCQFO-OAHLLOKOSA-N 292.382 3.806 30 20 CHED C=CCCCCCOC(=O)c1c(C)noc1C1CC1 784668875 ORCJGJFEAQQJTN-UHFFFAOYSA-N 263.337 3.764 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCCSc1ccccc1 784863751 NHHFZNRGCBDGNF-MRXNPFEDSA-N 294.416 3.551 30 20 CHED C#CCC1(C(=O)NCc2cccc(Cl)c2)CCCCC1 788142373 GAYRLFPUABBLQS-UHFFFAOYSA-N 289.806 3.930 30 20 CHED O=[N+]([O-])c1cc(NN=C2CCC23CCCC3)ccc1F 788723207 PTEORQQEKMYUCD-UHFFFAOYSA-N 277.299 3.856 30 20 CHED C#CCN(C)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 790958673 LSNXIKNKLVASAD-CYBMUJFWSA-N 289.444 3.604 30 20 CHED C#C[C@H](CCC)NC(=O)C(CC)(CC)c1ccccc1 791745420 KWIGUGCYHFIBGU-MRXNPFEDSA-N 271.404 3.663 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NN[C@@H](C)C(C)(C)C 793112182 QXYISTWTHBDZSO-ZDUSSCGKSA-N 278.444 3.613 30 20 CHED N#CC1(NC(=O)[C@@H](F)CC2CCCCC2)CCCCC1 793312835 OHFOOQLSCDBQIL-AWEZNQCLSA-N 280.387 3.638 30 20 CHED CC(=NN[C@H]1CCCOC1)[C@@H](C)c1ccc(Cl)cc1 794536926 UDKMUHIPNHLNOG-ABAIWWIYSA-N 280.799 3.588 30 20 CHED Fc1ccc(/C=C\C=NNCCC(F)(F)F)c(F)c1 794547162 ZSBGLCACZUSYJH-PGAOEHQISA-N 278.224 3.506 30 20 CHED Fc1ccc(/C=C\C=NOCC(F)(F)F)cc1F 794920811 UIRIMTXYBMOOCB-BLHWGTMWSA-N 265.181 3.543 30 20 CHED N#Cc1csc(/C=C2\CCc3ccc(O)cc3C2=O)c1 794960525 UPRAIWSMLANOBO-WUXMJOGZSA-N 281.336 3.538 30 20 CHED C=CCCCOC(=O)CCSCc1ccccc1 795846574 YEQWATVOQFRTPS-UHFFFAOYSA-N 264.390 3.819 30 20 CHED C=CCC(C)(C)C(=O)O[C@H]1CCc2ccc(F)cc21 796950437 YBWUNOKUKLGFOJ-AWEZNQCLSA-N 262.324 3.959 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Oc1ccc(C#N)c(OC)c1 797004864 GGMOHBRCKOTMBK-SWLSCSKDSA-N 287.359 3.689 30 20 CHED C=CCOCCOC(=O)Cc1ccc(-c2ccccc2)cc1 797325388 WFNLQQRKDDXRAT-UHFFFAOYSA-N 296.366 3.642 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNc1nccnc1Cl 797403063 YEXMEVRIETVHAZ-NXEZZACHSA-N 266.776 3.744 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCCC1 797404674 RVPWXPJXUMBFIH-UHFFFAOYSA-N 252.749 3.595 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)ccc1N(C)C(C)C 798550883 GZCODWNOYFWVMC-HNNXBMFYSA-N 288.435 3.924 30 20 CHED CCc1cccc2c1N(C(=O)c1ccc(C)c(C#N)c1)CC2 799322101 BTIVTPWSBVENIW-UHFFFAOYSA-N 290.366 3.632 30 20 CHED FCCC[C@H]1CCCC1=NNc1nc2ccccc2[nH]1 800805017 NMXWBJVBPCGLSY-LLVKDONJSA-N 274.343 3.881 30 20 CHED C=CCC(CC=C)C(=O)OC[C@H](OC)c1ccccc1 801847930 UBHPYRLTAIWBOJ-INIZCTEOSA-N 274.360 3.686 30 20 CHED C=C(Cl)CNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801907363 JQHWYVDNHXGMBV-SNVBAGLBSA-N 295.663 3.585 30 20 CHED CC(C)CCC(=NNc1nccnc1Cl)C1CC1 802711322 RQJHPZUDPWGLSC-UHFFFAOYSA-N 266.776 3.744 30 20 CHED CC[C@H](C)CCC(=O)OCc1ccc(F)c(C#N)c1 803878134 QKENZIUHRDXKFY-NSHDSACASA-N 263.312 3.567 30 20 CHED CCCCCCCCC(=O)Nc1ncc(COC)s1 804304789 SDCZMQZTQXVCRK-UHFFFAOYSA-N 284.425 3.979 30 20 CHED C#CCCCNC(=O)c1coc2ccc(C(C)C)cc12 804402198 DLHOMILMBOYBNX-UHFFFAOYSA-N 269.344 3.699 30 20 CHED CCCCCCCN1CC[C@@H](OCc2ccncc2)C1 805752572 HFZFCEOBXCSLLR-QGZVFWFLSA-N 276.424 3.643 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(CC(F)(F)F)c1 806313174 ITKFNCJKJUCXHS-LBPRGKRZSA-N 298.308 3.715 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cc(C)cc(C(F)(F)F)c1 806461503 JNOFAQMNZXYSGP-NSHDSACASA-N 284.281 3.547 30 20 CHED CC(C)(C)CC1=NNC(=Nc2ccccc2F)SC1 806549626 RVJGXAOTKFOJLV-UHFFFAOYSA-N 279.384 3.942 30 20 CHED C#CCC(C)(C)c1nc(C(C)(C)c2cccc(F)c2)no1 809479572 HFYAPZCPDLSWQH-UHFFFAOYSA-N 286.350 3.836 30 20 CHED C#Cc1ccc(CN[C@H]2CCC[C@@H](SCC)C2)cc1 809625803 RXHFMYQIDIPFKJ-DLBZAZTESA-N 273.445 3.822 30 20 CHED CON(CCC(C)(C)C#N)Cc1ccccc1Cl 810139185 PFACROFZUMUHCI-UHFFFAOYSA-N 266.772 3.643 30 20 CHED C#CCON=C[C@H](C)Cc1ccc(C(C)(C)C)cc1 812236437 OZNFAZLIZKBDRG-CQSZACIVSA-N 257.377 3.798 30 20 CHED CC(C)OCCON=Cc1cc(Cl)cc2cccnc12 812238180 UQZZQZNXCLXLLX-UHFFFAOYSA-N 292.766 3.664 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)cc3cccnc23)o1 814276298 VHRIOBOGZJPQGX-UHFFFAOYSA-N 297.701 3.605 30 20 CHED CCC(=NNc1ncccc1C(F)(F)F)c1ccco1 814802034 XLJKFERYOVPXDM-UHFFFAOYSA-N 283.253 3.920 30 20 CHED CCC(=NNc1ccc(Cl)nc1)c1cccc(N)c1 814858573 CEWBAOMHXDXPKS-UHFFFAOYSA-N 274.755 3.543 30 20 CHED COCC(Cc1ccccc1)=NOC1CCCCC1 814908674 AJGWCAYIZIROAD-UHFFFAOYSA-N 261.365 3.581 30 20 CHED C=CCC(F)(F)C(=O)N(Cc1ccccc1C)C1CC1 814936005 VANCDNBWAZKGQS-UHFFFAOYSA-N 279.330 3.697 30 20 CHED C[C@@H](NN=C1CC[C@@H]2CNc3cccc1c32)C(C)(C)C 814938693 RWPCPTYVGMYKPZ-VXGBXAGGSA-N 271.408 3.718 30 20 CHED C=CCC(F)(F)C(=O)N(CC(C)C)C1CCCC1 815144698 IHRWJFKYUZVEFN-UHFFFAOYSA-N 259.340 3.625 30 20 CHED C=CCC[C@H](NCc1ccc(CCN)cc1)c1ccco1 817949750 UUOGEUOEZUTYEB-KRWDZBQOSA-N 284.403 3.578 30 20 CHED C#Cc1cncc(C(=O)N(CCCC)[C@@H](C)CCCC)c1 818924455 OSTVZGOAYVUPTR-HNNXBMFYSA-N 286.419 3.884 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccncc2)c(C)n1CC(C)C 819815502 RXFINPHSKJFEAL-OAHLLOKOSA-N 298.434 3.841 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)[C@@H](C#N)c1ccccn1 819942332 ZQCOGOOFNAZFQG-WBVHZDCISA-N 292.382 3.835 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(CN(C)C)c2)cc1 821021617 JKJFSOJMPBSIIX-VAWYXSNFSA-N 279.383 3.953 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(SC(F)F)cc1)C(C)C 821508178 OGLWOQFKFRVHDH-LBPRGKRZSA-N 298.358 3.781 30 20 CHED Cc1c([C@@H](C)NC(=O)C#CC(C)C)oc2ccccc12 822584650 KKHPZXDBGWCWBM-CYBMUJFWSA-N 269.344 3.578 30 20 CHED C#CCCCCN[C@H](C)Cc1coc2ccccc12 823997240 YEDMBOKBCVOEBK-CQSZACIVSA-N 255.361 3.757 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@]1(C)CC1(Cl)Cl 824774974 WJNCYYVLXUDLOE-GARJFASQSA-N 250.213 3.761 30 20 CHED C[C@@H](C#N)OC(=O)C(F)(F)c1cccc(Cl)c1Cl 829860469 QNIZKXFVEBGRDC-LURJTMIESA-N 294.084 3.540 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc(C(=O)O)cc2)c1 830099895 QRLPYIDYWMINOR-IZZDOVSWSA-N 296.322 3.680 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnn(C2CCCC2)c1 830199634 GHIXRPSRIOLDPR-GFCCVEGCSA-N 261.369 3.539 30 20 CHED C=CC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O 832059291 MRUSQMHOZYYRIO-UHFFFAOYSA-N 288.174 3.527 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2ccccc2c1O 834886791 CAJPOZFLFLGGOP-JLZZUVOBSA-N 283.371 3.540 30 20 CHED C#Cc1cccc(CN[C@H](C)c2cc(C)c(C)o2)c1 834904196 WDCITGMUBBVQTK-CYBMUJFWSA-N 253.345 3.729 30 20 CHED CC[C@H](C)CC=Nn1c(S)nnc1-c1ccccc1C 834928218 LAKQYKMSYPSFKZ-NSHDSACASA-N 288.420 3.812 30 20 CHED Cc1oc2ccccc2c1C=NN[C@@H](C)C(F)(F)F 835000094 IUUIBESJQQSOOX-VIFPVBQESA-N 270.254 3.616 30 20 CHED CCOC(=O)C(C)(C)ON=C1CC(c2ccc(C)cc2)C1 835005744 OFHNACHOCXRENT-UHFFFAOYSA-N 289.375 3.587 30 20 CHED CC(C)C[C@H](C)C=NNc1ccc(C(=O)O)c(F)c1 835008132 BUROYMHYSXANKC-JTQLQIEISA-N 266.316 3.604 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1NN=C1CC2(CC2)C1 835009660 XXDXNLHLMTUVBI-UHFFFAOYSA-N 265.700 3.590 30 20 CHED C=CCONC(=O)Nc1ccccc1SC1CCCC1 836268401 SIPXXMLWHOSXPP-UHFFFAOYSA-N 292.404 3.960 30 20 CHED C#CCCCCCC(=O)NC1(Cc2ccc(F)cc2)CC1 836955618 YLTLYWQADRIMFN-UHFFFAOYSA-N 287.378 3.601 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C#CC(C)(C)C 837457667 JIWWLMZQLODIKB-SJCJKPOMSA-N 287.378 3.615 30 20 CHED CN(C(=O)C#CC(C)(C)C)[C@H]1CCC[C@H]1c1ccccc1 837927025 FNSHFJTTXQRKNQ-IRXDYDNUSA-N 283.415 3.831 30 20 CHED Cc1c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)ccn1C(C)C 839063223 QJNXGXHOSYMRRI-ZIAGYGMSSA-N 274.364 3.617 30 20 CHED C#CCCCCCC(=O)NCc1cnccc1C(C)(C)C 839830427 JVZLAVYVANUVBX-UHFFFAOYSA-N 286.419 3.579 30 20 CHED CC(C)[C@]1(C)C[C@@H]1Nc1snc(Cl)c1C#N 840338594 DBAAZDLUIVSWPW-KWQFWETISA-N 255.774 3.515 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(C3CC3)c2)nn1C 840721818 YBPYUFCOTWFTMP-HJWRWDBZSA-N 266.344 3.502 30 20 CHED C[C@H]1CC(C(=O)Oc2cccc(OCC#N)c2)C[C@H](C)C1 841344010 MFYVBDNTGXRDIB-CHWSQXEVSA-N 287.359 3.567 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Oc1cccc(OCC#N)c1 841344519 XTFZRFRQAICGHO-CZUORRHYSA-N 287.359 3.711 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CCOc2ccccc21)C(C)(C)C 842336879 YLGUOWVWLQWGEI-HOCLYGCPSA-N 286.371 3.534 30 20 CHED C#C[C@H](OC(=O)c1nc(C(C)C)oc1C)c1ccccc1 842364577 YPTSBVKAJVDKBC-AWEZNQCLSA-N 283.327 3.638 30 20 CHED CCN(CC)c1ccc(/C=N/[C@@H]2CCS[C@H]2C)c(O)c1 843264721 RPGSMUNRHJDFBS-YCQURQMESA-N 292.448 3.551 30 20 CHED C=C[C@@H](C)ONC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 846545922 KDKBFIXUOFVQOA-RJCSOLBVSA-N 299.292 3.731 30 20 CHED COc1ccc(COC(=O)CC2(C#N)CCCCC2)cc1 850784692 VGOVAHKNQZGHGE-UHFFFAOYSA-N 287.359 3.603 30 20 CHED N#CC1(COC(=O)C2CCC3(CC2)CC3)CCCC1 850932854 NELVOLJDJBYHSH-UHFFFAOYSA-N 261.365 3.584 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccn(C)c1-c1ccccc1 850978763 AGTPRARPMDJCHE-AWEZNQCLSA-N 282.343 3.541 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccsc1Cl 853135472 ZBCWZEIUTYODLP-MRVPVSSYSA-N 271.769 3.887 30 20 CHED COc1cc(C=NN2CCCC[C@@H]2C)ccc1OC(C)C 853380523 WVQSWWWTKXMHMT-AWEZNQCLSA-N 290.407 3.691 30 20 CHED CC(=NOCC1CCC1)c1ccc(N2CCCC2)cc1O 853439773 PYBXWCDMOPAVJV-UHFFFAOYSA-N 288.391 3.533 30 20 CHED N#CC1(CC(=O)Nc2cccc(Cl)n2)CCCCC1 857591572 TWXGDNMWDZYWNV-UHFFFAOYSA-N 277.755 3.538 30 20 CHED CC(C)CC=Nn1c(S)nnc1-c1cccc(Cl)c1 863966996 XNOIWSGIUPTBLI-UHFFFAOYSA-N 294.811 3.767 30 20 CHED C#C[C@H](NC[C@@H](C)CCC#N)c1ccc(Cl)cc1F 877517888 QTYPMOSAIAXUQB-NHYWBVRUSA-N 278.758 3.683 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1ccc(N2CCCC2)cc1C 878009994 HGOPYTMOXHWAQC-GOSISDBHSA-N 299.418 3.519 30 20 CHED C=CCC1(C(=O)Nc2cc(F)c(O)cc2Cl)CCC1 885677835 AQUVUCZZIGJMAV-UHFFFAOYSA-N 283.730 3.870 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](c3cccc(F)c3)C2)CC1 888824710 XPKXDBFXTQWGJK-INIZCTEOSA-N 287.378 3.888 30 20 CHED C=CC[C@H](NC(=O)C1CCC(=C)CC1)c1ccncc1 888996557 XXHVAQQESHBZDD-INIZCTEOSA-N 270.376 3.561 30 20 CHED C=C1CCC(C(=O)N2Cc3ccccc3OC[C@H]2C)CC1 889903449 YVXHAZUALHXKFA-CQSZACIVSA-N 285.387 3.543 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2C[C@H]3CCC[C@H]2C3)cc1 890313488 HULGXQIGAZLMFM-BBRMVZONSA-N 282.387 3.502 30 20 CHED C=C1CCC(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)CC1 897637931 VXKFEFHDWJQGJV-JCNLHEQBSA-N 287.378 3.934 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)OCCCC#N)cc1 898912967 SEXUDVKGBAMUJR-FLIBITNWSA-N 271.360 3.844 30 20 CHED CCn1cc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)c(C)n1 899367157 WRCMBMQJGIELPZ-HAKPAVFJSA-N 292.382 3.911 30 20 CHED CCn1cncc1/C=C1\CCc2ccc(SC)cc2C1=O 901522558 HOYJKHAJPMMNBZ-MDWZMJQESA-N 298.411 3.837 30 20 CHED CCSc1cccc(/C=C2/C(=O)c3nccn3[C@H]2C)c1 901564115 FAQCDXCATAYRCC-IWQAVIMZSA-N 284.384 3.836 30 20 CHED CC[C@@H](NCCc1ccc(O)cc1)c1cccc(C#N)c1 902767540 HWXNXWGHWSCXPY-GOSISDBHSA-N 280.371 3.547 30 20 CHED COc1cc(Cl)ccc1[C@@H](C)NCC(C)(C)C#N 903102333 WJVYAQCNXNEFSA-SNVBAGLBSA-N 266.772 3.549 30 20 CHED N#CC1(CCCCOC(=O)COCC2CCCC2)CCC1 909380610 KTKQCOOYNALFMJ-UHFFFAOYSA-N 293.407 3.601 30 20 CHED Cc1cc(OCCOC(=O)C(C)(C)C#N)ccc1C(C)C 915790690 KFGLHVSVCZXFRM-UHFFFAOYSA-N 289.375 3.590 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C/c1cc(F)ccc1F)O2 915988750 FOIOAIYWHNRVHG-NSIKDUERSA-N 288.249 3.595 30 20 CHED C/C(C=Nn1c(S)nnc1C(C)C)=C\c1ccccc1 916312811 PXIVPPQYYUSQBN-UFFLFGQOSA-N 286.404 3.628 30 20 CHED C=CCN(C(=O)Nc1c(C)cccc1CC)C(C)C 916706168 JZXQRUYLMILTCS-UHFFFAOYSA-N 260.381 3.986 30 20 CHED C=CCN(C(=O)NC[C@@H](CC)CCCC)C(C)C 918054631 OUQJGHSMXLLBPE-AWEZNQCLSA-N 254.418 3.809 30 20 CHED CCCCCCCCOC(=O)[C@H]1CSCCS1 918986599 QAGZKAIMBUBZPB-GFCCVEGCSA-N 276.467 3.739 30 20 CHED Cc1cc(C)c(C(=O)OCCCCC(C)(C)C#N)c(C)n1 923463050 CNXDSUUJMOFVCK-UHFFFAOYSA-N 288.391 3.884 30 20 CHED CSCC[C@H](C)N(C)CCCCC1(C#N)CCC1 929985791 GOKTUHDSWIAZDG-AWEZNQCLSA-N 268.470 3.924 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H](Nc2ccccc2)C1 934946308 YBBAQTZCPLAANO-NVXWUHKLSA-N 286.419 3.692 30 20 CHED Cc1sc2ncnc(NN=C[C@@H](C#N)C(C)C)c2c1C 1116347925 FNWBJZJVVGHAJV-LLVKDONJSA-N 287.392 3.502 30 20 CHED Cc1ccccc1C(C)(C)CNC(=O)c1csc(C#N)c1 1117750265 CTTZZSQFYFGHAK-UHFFFAOYSA-N 298.411 3.636 30 20 CHED Cc1ncc(C(=O)N(c2ccccc2C#N)C2CCC2)s1 1119426851 WBURWQIENITGKS-UHFFFAOYSA-N 297.383 3.523 30 20 CHED CC(C)CC1(CNC(=O)[C@@H](CC#N)c2ccccc2)CC1 1127157892 QHAGUZCXWBKSAK-INIZCTEOSA-N 284.403 3.626 30 20 CHED COc1cc(NC(=O)c2cc(C)ccc2C)c(F)cc1C#N 1131702476 NXHPHPFAGAKUHN-UHFFFAOYSA-N 298.317 3.575 30 20 CHED CC[C@@H](C)c1ccc(C(=O)[C@@H](C#N)c2nccn2CC)cc1 1263617015 QGPKWBZYRXFBHP-CZUORRHYSA-N 295.386 3.907 30 20 CHED C[C@H](SCc1ccncc1)c1ccc(C#N)cc1 1307405490 UKKMGOKLASVDRE-LBPRGKRZSA-N 254.358 3.948 30 20 CHED CCCCCC[C@H](CC)C(=O)OCc1ccc(C#N)cn1 1321157259 MRBALJGGSJQZMJ-HNNXBMFYSA-N 288.391 3.993 30 20 CHED CC(C)(C)c1ccc(NN=C[C@@H]2C[C@@H]2c2ccccc2)nn1 1322999883 WJYILKIFENWDIY-LSDHHAIUSA-N 294.402 3.976 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 1326738321 BVDPEJWVRSREFO-SMDDNHRTSA-N 276.767 3.553 30 20 CHED Cc1ccc(F)c(NC(=O)Nc2ccc(OCC#N)cc2)c1 1339032878 IVMANBNQCZDGOC-UHFFFAOYSA-N 299.305 3.681 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1cccc(F)n1 1344035473 NHRCEKDGNACDIU-FRRDWIJNSA-N 274.339 3.613 30 20 CHED CCC[C@@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 1353847320 CNXDWQNTJHVCRI-WMLDXEAASA-N 284.403 3.528 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@]1(C)CCCC[C@@H]1C 1436607721 PDVCOWPKISLPOK-SJCJKPOMSA-N 270.376 3.565 30 20 CHED N#C[C@@H](C(=O)CCCCc1ccccc1)c1cccc(F)n1 1524781460 YPLPQPBTMKZZLE-OAHLLOKOSA-N 296.345 3.810 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccc3ncsc3c2)c1 1525013282 OGMUKMCUANWCBW-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1csc(C#N)c1 1531717500 LYTNGLKAAWBEQG-JTQLQIEISA-N 288.347 3.592 30 20 CHED CCOc1ccc(C#N)cc1NCC1CCCCC1 1560497489 SBIORRVGYOQYOT-UHFFFAOYSA-N 258.365 3.949 30 20 CHED Cc1ccc(C)c(C(=O)Nc2cc(C#N)ccc2F)c1 1584674843 RXQVMMYVIKJQJS-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC(C)(C#N)CC(=O)N1CCc2cc(C(C)(C)C)ccc2C1 1586660917 FRHICWHTINZICC-UHFFFAOYSA-N 298.430 3.809 30 20 CHED CC#CCCSc1ccc(Br)cc1C(=O)O 1588931457 UZBKWXPVMQBUOP-UHFFFAOYSA-N 299.189 3.653 30 20 CHED N#Cc1cccc(Cl)c1SCC1(CC(=O)O)CC1 1601122396 LYGBHRZYYFIYSS-UHFFFAOYSA-N 281.764 3.559 30 20 CHED N#Cc1csc(/C=C\c2nc(Cl)c(C(=O)O)s2)c1 1601131350 XGFXYPBJZJEEFF-UPHRSURJSA-N 296.760 3.598 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 1634291280 IZTXHOFTSZXFIT-ZYHUDNBSSA-N 292.329 3.535 30 20 CHED Cc1cc(N(C)Cc2cccc(OC(C)C)c2)ncc1C#N 1639729455 WKSZYAZOKMLSCC-UHFFFAOYSA-N 295.386 3.685 30 20 CHED C[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1cc2ccccc2o1 1641297083 YSVXYNPJOOEXAZ-UONOGXRCSA-N 296.370 3.689 30 20 CHED Cc1cc(CN2CCc3ccc(C#N)cc32)c2ccccc2n1 1642594418 IXDWOPOEVDBNTN-UHFFFAOYSA-N 299.377 3.978 30 20 CHED Cc1cccc(CCCN2CCc3c(C#N)cccc32)c1 1643505490 KHBQGQNQBUUAMX-UHFFFAOYSA-N 276.383 3.862 30 20 CHED Cc1cccc2c(CCNc3ncc(C#N)cc3F)c[nH]c12 1650772360 UECCWGWKXNMVCQ-UHFFFAOYSA-N 294.333 3.537 30 20 CHED CCCC[C@H](CCC)CNc1cc(C#N)nc(CC)n1 1651622087 DIJVFQBKOLQDMF-ZDUSSCGKSA-N 274.412 3.929 30 20 CHED Cc1ccc2sc(NCC(C)(C)C#N)nc2c1C 1651731504 MOTOKQXDILAQPG-UHFFFAOYSA-N 259.378 3.875 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccc(F)c(C(=O)O)c1 1776062478 VYNMSLCSLIICHC-NSHDSACASA-N 278.327 3.748 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cncc2ccccc12 104627607 XOAXKIMKKYKHEZ-UHFFFAOYSA-N 295.386 3.637 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 55456042 ZACOYMUOFODTOZ-IAGOWNOFSA-N 279.314 3.549 30 20 CHED CCCCCCCCCCCC(=O)N1CCO[C@H](C#N)C1 113196134 BWPSOYDTHILQTR-MRXNPFEDSA-N 294.439 3.658 30 20 CHED C[C@@H](NCCCCC#N)c1ccccc1OC(F)(F)F 178641513 BKBCIBQTPHWPOZ-LLVKDONJSA-N 286.297 3.930 30 20 CHED N#Cc1cccc(NC(=O)Nc2ccc3scnc3c2)c1 171168662 UURKGNWRCYVGPK-UHFFFAOYSA-N 294.339 3.812 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 116973280 LWERWPOHDINRNU-MNOVXSKESA-N 282.334 3.632 30 20 CHED C#CCCOc1ccc(CNc2cccc(OC)c2)cc1 114759606 DFJDZPONQYSOEF-UHFFFAOYSA-N 281.355 3.709 30 20 CHED CCO[C@@H](C)c1nc(COc2ccc(C#N)cc2)cs1 119956522 UXTJPVAZKUGZEX-NSHDSACASA-N 288.372 3.691 30 20 CHED CC(C)Oc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 102397102 PSJMFPUUEISQBK-UHFFFAOYSA-N 294.398 3.977 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2cccc(C)c2)s1 102606623 MJNCRXFUZIKMKH-UHFFFAOYSA-N 284.384 3.672 30 20 CHED C=CCN1CCC(Nc2ncc(-c3ccccc3)s2)CC1 176925359 ZYFQRSRFJJPBHG-UHFFFAOYSA-N 299.443 3.872 30 20 CHED N#Cc1cccnc1N[C@H]1CCC[C@@H]1c1ccccc1 110603823 XDXYOGXSZKJJLD-CVEARBPZSA-N 263.344 3.701 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)s1 172024815 KHAZAVSZFDXXLM-GFCCVEGCSA-N 290.775 3.705 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)Cc1cc(C#N)ccc1F 111239506 CXSROIMWUPRXBF-LBPRGKRZSA-N 284.334 3.596 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C(=O)c1ccc(C)cc1 112183886 RHLPDKGSXQQSAQ-UHFFFAOYSA-N 299.414 3.773 30 20 CHED N#Cc1ccccc1OCCSC1=Nc2ccccc2C1 119254132 AARROAIZDQWJKZ-UHFFFAOYSA-N 294.379 3.957 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCC[C@@H](O)C(C)C)c2c1 301417442 MLTXYROFNSQKIW-MRXNPFEDSA-N 297.402 3.542 30 20 CHED Cc1ccc(N/C(N)=N/Cc2ccc(Cl)cc2)cc1C 303710837 OYXLNBNWNFLJBO-UHFFFAOYSA-N 287.794 3.884 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 176480568 YLIMRARLOVDAPR-GJZGRUSLSA-N 274.408 3.786 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)C1(C#N)CCCC1 68707400 DFKBPRNKUQOKOG-MRXNPFEDSA-N 284.403 3.598 30 20 CHED CCCCCCCNc1ccccc1CS(C)(=O)=O 178343134 UAQRNACKQDXWED-UHFFFAOYSA-N 283.437 3.614 30 20 CHED CC(C)[C@@H](O)C(C)(C)CNc1c(Cl)cccc1C#N 301827217 PLQMCMFUCXLPDY-CQSZACIVSA-N 280.799 3.667 30 20 CHED Cc1ncsc1CN(C)c1c(C#N)cnc2ccccc12 111669351 JTXKDIBISFLOMY-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 116971311 ZXBIOJSIGTUESP-DOTOQJQBSA-N 286.419 3.676 30 20 CHED COc1ccccc1OCCSc1ccccc1C#N 173715404 AGQVLHUBBFWIAY-UHFFFAOYSA-N 285.368 3.738 30 20 CHED CCOc1cccc([C@@H](C)NCc2cc(C#N)cs2)c1 177692773 IOKPPFIMXAMKMU-GFCCVEGCSA-N 286.400 3.869 30 20 CHED CC[C@H](c1ccccc1)c1nnc(S[C@@H](C)C#N)o1 67954115 NPOWTYIHXUPOEZ-CMPLNLGQSA-N 273.361 3.616 30 20 CHED N#Cc1ccc(OCc2cc(-c3ccccc3)no2)cc1F 66860853 CGYCWWJIXYRKLJ-UHFFFAOYSA-N 294.285 3.931 30 20 CHED Cc1nc(N[C@H]2CC[C@H](C)CC2)c(Cl)cc1C#N 311111455 MRBZNPDZWUFYCZ-OTCDBFHCSA-N 263.772 3.906 30 20 CHED CCN(C(=O)c1ccccc1C)c1ccc(C#N)cc1 174075611 YROQCOXPQXSZKI-UHFFFAOYSA-N 264.328 3.533 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(CCSC)cc1 67854880 CAKRIXHSTQBPLP-CYBMUJFWSA-N 293.432 3.512 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 177108011 COZHDUCZGAHIRE-LBPRGKRZSA-N 276.405 3.518 30 20 CHED CCS[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 176983449 PESQYPJATJOJHO-JKSUJKDBSA-N 274.433 3.712 30 20 CHED Cc1ccc(NC(=O)CSc2ccccc2C#N)cc1 172681874 KYPHRNMEXNMZOV-UHFFFAOYSA-N 282.368 3.598 30 20 CHED N#CCN(C(=O)c1ccc(Cl)c(F)c1)c1ccccc1 179788690 HHVXEUOUGUHPFN-UHFFFAOYSA-N 288.709 3.649 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCc1cccc(Cl)c1 178540970 PUXHETXFLQFOGO-UHFFFAOYSA-N 299.761 3.842 30 20 CHED CCCCCCCCC(=O)Nc1cc(C(N)=O)ccc1C 125671383 YUOHCNFAXSTAOW-UHFFFAOYSA-N 290.407 3.783 30 20 CHED CSc1ccc(/C=C\C(=O)c2cccnc2)cc1 33472175 BDGGKUJIPAPJGB-TWGQIWQCSA-N 255.342 3.700 30 20 CHED Cc1cnc(CNc2ccccc2SC[C@H](C)C#N)o1 127927416 YWBAVTUCZZMUOY-LLVKDONJSA-N 287.388 3.847 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccc(F)cc1F)C(C)C 181649620 YMLGTJRDJZZOMS-XJKSGUPXSA-N 283.362 3.579 30 20 CHED CCCCCCCCOC(=O)[C@H]1CCC(=O)C[C@@H]1C 127487027 CBSNZXVCWVJXMT-ZFWWWQNUSA-N 268.397 3.895 30 20 CHED CC(C)(C)c1ccnc(N2CCC(CC#N)CC2)c1 603332741 OHOKFHJTSBQRFK-UHFFFAOYSA-N 257.381 3.509 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1csc(Cl)c1 187999525 LZXGJCGZYAWJDT-UHFFFAOYSA-N 284.812 3.994 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccccc1F 181039453 ALZUHVOLPRKTBG-NSHDSACASA-N 250.317 3.692 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C)ccn1 184067358 CSUPTVVVQSOVLX-UHFFFAOYSA-N 299.349 3.749 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CCC)c1ccccc1 78318920 VSFFXEILAIHSAY-INIZCTEOSA-N 272.392 3.911 30 20 CHED Cc1cc(C#N)ccc1OCc1csc(C2CC2)n1 153204714 DNYGBLOVLCZJND-UHFFFAOYSA-N 270.357 3.780 30 20 CHED CCC(CC)Nc1nc(C(F)(F)F)ccc1C#N 78832384 FFWLZKOVXPOTEM-UHFFFAOYSA-N 257.259 3.573 30 20 CHED Cc1cc(CSCCCOc2ccc(C#N)cc2)on1 79350730 JZMPEOYVIMESMG-UHFFFAOYSA-N 288.372 3.557 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C1CCCC1)C(F)(F)F 127756017 MCXUNYZOVKXRRO-GFCCVEGCSA-N 292.345 3.715 30 20 CHED C#C[C@H](NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)C(C)C 313386585 JFZHCJYXQLYBRH-WZTPKPFXSA-N 287.447 3.757 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](CC)CSC)c1ccccc1 181199237 HPXWNDMVWVSWKC-ZFWWWQNUSA-N 277.433 3.604 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 185934923 SBGMHLAPRGUZLV-GFCCVEGCSA-N 291.778 3.648 30 20 CHED C=CCOCCCSCc1cc(C(C)(C)C)on1 419471579 HDNXSHBNIQBNKK-UHFFFAOYSA-N 269.410 3.798 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCSC2(CCCCC2)C1 188496416 VOAQUIXMMHZADW-OAHLLOKOSA-N 281.465 3.867 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)ccc1O 188963698 GXHSSPIKPWCABI-ZDUSSCGKSA-N 253.729 3.586 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1C[C@@]1(C)c1ccccc1 410557490 LKXLAMBPLVOWLA-WMZOPIPTSA-N 298.430 3.943 30 20 CHED CC[C@H](C)[C@@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 416346751 MEOKYDWQFUHFIE-GOEBONIOSA-N 284.403 3.626 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](N)C[C@H]1C 236632729 OBKHEUHVLACUTH-HZPDHXFCSA-N 282.472 3.855 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1cc2ccccc2o1 188440030 PTUWRXWZSWFAQD-QGZVFWFLSA-N 271.360 3.694 30 20 CHED C=C(C)CCc1noc(-c2cccc(OC(F)F)c2)n1 508665194 VVMDIHRODFYHRU-UHFFFAOYSA-N 280.274 3.847 30 20 CHED CC(C)[C@@H](C)N(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC1 413228740 JRCNPVQXTWFISS-JEBQAFNWSA-N 296.414 3.697 30 20 CHED CCN(Cc1cccc(OCCCC#N)c1)CC1CC1 125640058 JDPSZTCHCIDXBX-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416114285 YISUBZDFFDLSTH-DDUZABMNSA-N 296.414 3.878 30 20 CHED CCCCCCCC(=O)N(C)[C@H](C)c1cccnc1 122158562 HGWLSYHCMMLJGX-CQSZACIVSA-N 262.397 3.962 30 20 CHED C=C[C@H](CC(=O)NCCc1ccc(F)cc1)c1ccccc1 122239300 ZERGUBPSXNGDAW-MRXNPFEDSA-N 297.373 3.844 30 20 CHED C=C[C@H](CCC(=O)O)NCc1c(CC)oc2ccccc12 417634992 ZUFIEPPWCFWCAA-GFCCVEGCSA-N 287.359 3.504 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1C[C@H]1c1ccco1 413861410 ZDGZIUIZJGYKGM-ZIAGYGMSSA-N 276.380 3.523 30 20 CHED CN(Cc1cccnc1)c1cc(C#N)ccc1C(F)(F)F 120534613 VEGXRAXEAPBKIW-UHFFFAOYSA-N 291.276 3.608 30 20 CHED Cc1ccccc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 71868001 DVVCEHKRDATDIX-UHFFFAOYSA-N 292.382 3.918 30 20 CHED C[C@H](NC(=O)NCC(C)(C)CC#N)c1ccc(C2CC2)cc1 416721517 GYYULORCBZUUQV-ZDUSSCGKSA-N 299.418 3.864 30 20 CHED CCOc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1OC 185726221 ZFEAOOUPEQPXGD-CHWSQXEVSA-N 274.364 3.588 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC2(CCC2)C1 135286583 UKCGCFKSKMIOCE-UHFFFAOYSA-N 268.404 3.864 30 20 CHED COc1ccc(CN(C2CC2)[C@H](C)c2ccco2)cc1C#N 135210499 GRXDLDZJQLFZQH-CYBMUJFWSA-N 296.370 3.885 30 20 CHED C#CCOC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 73193511 LBCCOSDJISIABA-UHFFFAOYSA-N 291.759 3.562 30 20 CHED C[C@@]1(NC(=O)c2cccc(C#N)c2)CCCc2ccccc21 506106596 OGJWSUJJPOMUAO-LJQANCHMSA-N 290.366 3.540 30 20 CHED C[C@H]1CC[C@H](/N=C(/O)c2cnc([C@@H]3CCCO3)s2)CC1 328806132 CLAWONFBGKUSCQ-SRVKXCTJSA-N 294.420 3.878 30 20 CHED C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc(C#N)cc1 502594089 UFRKRJUBRUCSBN-KCPJHIHWSA-N 294.345 3.759 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)Cc2ccc3c[nH]nc3c2)[C@@H]1C 329504444 ZEJQLTFVCPXPAZ-JMSVASOKSA-N 285.391 3.887 30 20 CHED C=CC[C@@H](CC)NC(=O)c1csc2ccccc12 410124429 SWWSXLNDKOSPPX-LLVKDONJSA-N 259.374 3.986 30 20 CHED C[C@@H](SCCOCC1CC1)c1cccc(C#N)c1 190802846 QQUXHRCAVCIUJU-GFCCVEGCSA-N 261.390 3.779 30 20 CHED C=CCCCCCN(C)[C@H](C)C(=O)c1c[nH]c2ncccc12 502889585 CKMOMQHGKWEZOY-CQSZACIVSA-N 299.418 3.812 30 20 CHED CC[C@@H](c1ccc(Br)cc1)N(C)CCC#N 133000045 TYCBQFISDXGDGA-ZDUSSCGKSA-N 281.197 3.746 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 132405245 KWYAITPMBOZAMJ-IZZDOVSWSA-N 297.310 3.637 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)c2cccc3c2CCC3)o1 329258576 YKTMKPIHGBRGFZ-LLVKDONJSA-N 270.332 3.538 30 20 CHED C=CCN(CC=C)C(=O)CS[C@@H](C)c1ccccc1 131476152 XRZQRHSHMLLOJB-AWEZNQCLSA-N 275.417 3.681 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425528098 PPUGSYAEBQUWST-CJNGLKHVSA-N 285.391 3.615 30 20 CHED CCSc1ccc(Cl)cc1C(=O)NCCCCC#N 84107971 QPOYQIVJMZFVSA-UHFFFAOYSA-N 296.823 3.876 30 20 CHED CCN(Cc1ccc(Cl)s1)C(=O)C1(C#N)CC(C)C1 531808822 VQTFTFWAGOQFMB-UHFFFAOYSA-N 296.823 3.690 30 20 CHED CCCCCCCCCCNc1nc(C(=O)O)co1 228318332 JRRIIQULDZAPOT-UHFFFAOYSA-N 268.357 3.925 30 20 CHED Cc1noc(C2CC2)c1N=C(O)N1CCCCC[C@@H]1C 329796977 FGFZUVIEILOMST-JTQLQIEISA-N 277.368 3.670 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CCC1 190294173 PCKDJNBIZSDGJP-DLBZAZTESA-N 299.414 3.769 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(F)cc1Cl 49800801 ORGKTNZJJGQOTJ-UHFFFAOYSA-N 268.763 3.851 30 20 CHED C=CCSCCNC(=O)Nc1ccc(Cl)c(F)c1 194605124 YFKZVMUAGQNWQR-UHFFFAOYSA-N 288.775 3.520 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)C1CCOCC1 225362686 LXYGHQNMTYRFSR-SNVBAGLBSA-N 298.308 3.804 30 20 CHED CC(C)(CC(F)(F)F)Nc1ncc(C#N)cc1Cl 614830615 SZGRKNTYRMJWNE-UHFFFAOYSA-N 277.677 3.750 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc(F)c(Cl)c1 429778669 FOICFQXGEYPOAY-SNVBAGLBSA-N 266.747 3.824 30 20 CHED C#CCCCC(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 192077858 WJVLTXWXLKGGSC-UHFFFAOYSA-N 294.354 3.924 30 20 CHED C[C@@H](CC#N)N(C)Cc1ncc(-c2cccc(Cl)c2)o1 161815179 KSHBGKGNFPBEHC-NSHDSACASA-N 289.766 3.729 30 20 CHED N#CCCCc1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 420520852 HRTNIHCGYFPMJT-UHFFFAOYSA-N 299.227 3.741 30 20 CHED N#Cc1csc(CN2CC[C@H](C3CCCC3)C2)c1 421387129 IAODMCPBQLQQEW-AWEZNQCLSA-N 260.406 3.632 30 20 CHED N#Cc1cc(COc2ccccc2Cl)ccc1F 229753336 ZLKUOXUJMKYNCR-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1cccc([C@@H]2CCCCCN2C(=O)NCCC#N)c1 426432449 XPBGWIFXMIVDCL-INIZCTEOSA-N 285.391 3.535 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)C2CC2)c(F)c1 192512149 SKKBKNAJIALWJH-GOSISDBHSA-N 280.346 3.938 30 20 CHED N#Cc1ccc(SCc2cnoc2C2CC2)cc1 338159534 REOWCAZEHJSXKF-UHFFFAOYSA-N 256.330 3.716 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 338352307 JNHUGTYHQBAJSC-OAHLLOKOSA-N 297.333 3.970 30 20 CHED N#Cc1cccc(CC(=O)N[C@@H]2CCCCC23CCCC3)c1 514899257 WEKUTFQRAQFBJC-QGZVFWFLSA-N 296.414 3.720 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](C)C[C@H]2C)c1 425680454 MWKCZFOFOPOHJY-DGCLKSJQSA-N 271.364 3.519 30 20 CHED CC1CC(C#N)(C(=O)NCC(C)(C)C2CCCCC2)C1 534291325 VCYIMQUIDNQNDR-UHFFFAOYSA-N 276.424 3.649 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C)ccc1Cl 232213830 KYPCWCASCYUGMY-CYBMUJFWSA-N 250.729 3.527 30 20 CHED C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 335557625 HFJYZRAQSHHWAF-ZBFHGGJFSA-N 282.387 3.680 30 20 CHED C=CCSCCN[C@H](C)c1cnc2ccsc2c1 180455527 GWQQQDGSQSYHRP-LLVKDONJSA-N 278.446 3.866 30 20 CHED N#Cc1ccnc(SCCOc2ccc(Cl)cc2)c1 515289230 QMAPVHNNAKHIJR-UHFFFAOYSA-N 290.775 3.778 30 20 CHED CC[C@H](C)CCC(=O)N[C@@](C)(C#N)CCc1ccccc1 511712371 MVYUPXBXKYGBLV-MAUKXSAKSA-N 286.419 3.844 30 20 CHED CC(C)(CNC(=O)[C@@]1(C#N)CC12CCCC2)C1=CCCC1 333491477 IZRKFXICXCCHRE-SFHVURJKSA-N 286.419 3.713 30 20 CHED CC[C@@H](C)Sc1nc(C(F)(F)F)ccc1C#N 94336916 KAXPDKGEELJWEZ-SSDOTTSWSA-N 260.284 3.863 30 20 CHED C[C@H](NC(=O)C(C)(C)C#N)c1ccc(F)c2ccccc12 336560603 RZXIUBABGDVQFY-NSHDSACASA-N 284.334 3.706 30 20 CHED Cc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cn1 336330964 ZHTBAPAJNDKIHE-NSHDSACASA-N 255.296 3.574 30 20 CHED COc1nn(C)cc1N=C(O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 330018779 UBZFEBCIFOCEOC-JHJVBQTASA-N 291.395 3.623 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(Cl)c1F 336152275 RZVFASFXBMYIJZ-UHFFFAOYSA-N 278.670 3.505 30 20 CHED CC(C)CN1CCC[C@@H](CN[C@H](C)c2cccc(C#N)c2)C1 245925311 RKUVWSGFKMCAHW-AEFFLSMTSA-N 299.462 3.577 30 20 CHED C=CCCN(C)C(=O)c1cn(CCCC#N)c2ccccc12 346669908 RSHNJAKVHICOKU-UHFFFAOYSA-N 295.386 3.593 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCc2ccc(F)cc21 348217504 AIJKGCJXRYXNLM-HNNXBMFYSA-N 260.356 3.733 30 20 CHED N#Cc1cc(C(=O)N(CC2CC2)C2CCC2)ccc1Cl 527030922 VLOTYUSZYZYWLZ-UHFFFAOYSA-N 288.778 3.616 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCCCSCC#N 245951910 LGJFLJIZJFKRTR-KFWWJZLASA-N 268.470 3.684 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@H](C#N)c2ccccc2F)CC1 439540009 GJTRQGHTOGFSKG-XJKCOSOUSA-N 288.366 3.723 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCc2c(Cl)cccc21 528168999 ZWJWQOUYNBQQNW-AWEZNQCLSA-N 290.794 3.773 30 20 CHED CCN(CCC#N)C(=O)[C@H](CC(C)C)c1ccccc1 343783209 QZTKXNYKJFFMTE-MRXNPFEDSA-N 272.392 3.578 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1csc(Cl)c1 342404618 XLSUYYYWBGQRDG-UHFFFAOYSA-N 295.791 3.865 30 20 CHED CN(Cc1cc(C#N)ccc1F)c1cccc2cccnc12 340213676 DJJGHKVOGFSZOM-UHFFFAOYSA-N 291.329 3.882 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1cccc(N2CCCC2)c1 602573699 LCWCMTPWSTVUJD-HZPDHXFCSA-N 285.435 3.877 30 20 CHED Cc1ccccc1C=NOCc1ccn(-c2ccccc2)n1 255007848 NUGUBDCGYXDBRX-UHFFFAOYSA-N 291.354 3.731 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Cc1cc2ccccc2o1 604498113 QVLOEYYQZINMKB-UHFFFAOYSA-N 290.322 3.794 30 20 CHED C=CCN(Cc1cccs1)Cc1cnc2cccc(C)n12 349541412 FIXAMUCBLPRZPU-UHFFFAOYSA-N 297.427 3.892 30 20 CHED CC(C)(C)C1=CCN(Cc2ccc(CC#N)cc2)CC1 542254805 WQSFHPMWLFOWFS-UHFFFAOYSA-N 268.404 3.931 30 20 CHED C=C[C@@H](CC(=O)Nc1cncc(F)c1)c1ccccc1 341551423 YYHAKVLHRDRDIZ-LBPRGKRZSA-N 270.307 3.519 30 20 CHED CC(C)(C#N)C(=O)NCC(C)(C)c1ccc2ccccc2c1 600686683 HVYZYOGSZYKSBW-UHFFFAOYSA-N 294.398 3.783 30 20 CHED C[C@H](NC(=O)N1C[C@@H]2CCCC[C@@]21C)c1cccc(C#N)c1 602265227 UELPDRAGHCYZIM-OWQGQXMQSA-N 297.402 3.593 30 20 CHED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccccc1F 255098693 QRRVZUFMEQMECG-KHPPLWFESA-N 292.313 3.908 30 20 CHED CC(C)=CCCNC(=O)C[C@@H](CC#N)c1ccccc1 357044743 VRGVJCQQSZFDST-MRXNPFEDSA-N 270.376 3.546 30 20 CHED Cc1ccc2sc(C(=O)N[C@H]3CCC[C@H]3C#N)c(C)c2c1 446239082 XJYMCRCWTBAQNH-JSGCOSHPSA-N 298.411 3.940 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccnc2)CCCCC1 448576934 AIVMFLDEEYAXOP-UHFFFAOYSA-N 272.392 3.567 30 20 CHED C=CCCc1nc(-c2cc3cc(C)ccc3o2)no1 445772209 GULQIBRKXRBRSZ-UHFFFAOYSA-N 254.289 3.910 30 20 CHED CC(C)(C)CC(C)(C)NCCOc1cccc(C#N)c1 603894804 PUJUQBZVESBIHY-UHFFFAOYSA-N 274.408 3.741 30 20 CHED CN(CC#Cc1ccc(F)cc1)CC1(c2ccccc2)CC1 444679024 ZCIPZDJUBGQAHP-UHFFFAOYSA-N 293.385 3.841 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C(=O)CC)cc1 539435606 GXCYPYRSDITIBA-CYBMUJFWSA-N 273.376 3.754 30 20 CHED COc1cc(F)c(F)cc1NCc1ccc(C#N)c(F)c1 357196187 ZZRNKOLMYURLAL-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C[C@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)C(C)(C)C1 356267620 HASOUPQIDDXSSW-GDBMZVCRSA-N 284.403 3.721 30 20 CHED C[C@H](Nc1cccc2nc(O)oc12)c1cccc(C#N)c1 357290023 BSOAGGFDHARWOK-JTQLQIEISA-N 279.299 3.578 30 20 CHED C[C@H]1[C@H](Cc2ccccc2)CCN1CCCSCC#N 266912272 DPRFMNYGFWPSPC-RDJZCZTQSA-N 288.460 3.586 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(F)c(C#N)c1 355117089 STVGBPYSFTZZQG-UHFFFAOYSA-N 293.301 3.739 30 20 CHED Cc1cc(CN[C@H]2CCOC3(CCCCC3)C2)ccc1C#N 443995354 HCYPONXAZJSQPF-SFHVURJKSA-N 298.430 3.838 30 20 CHED N#Cc1c(Cn2cc(-c3ccccc3)cn2)cn2ccccc12 357687165 JXAPYCLYPAKOJN-UHFFFAOYSA-N 298.349 3.723 30 20 CHED CC[C@@H](CSc1ccccc1)Nc1cccc(C#N)n1 533096459 NKFFDAGLTHTNFT-ZDUSSCGKSA-N 283.400 3.936 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H](C#N)C1CCCCC1 530654223 CNQKJNHPHJLDAJ-BMFZPTHFSA-N 276.424 3.791 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 617788351 HCMOYPYXLLXZLJ-GFCCVEGCSA-N 295.329 3.716 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCC[C@H]1[C@@H](C)CC)OCC 534396957 KUTNVHKJNCVYKQ-JYJNAYRXSA-N 281.440 3.785 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2OC)C1 617785906 PILWQDZMWCQORJ-LBPRGKRZSA-N 293.794 3.777 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2ccc(F)c(F)c21 456443850 VSXCTAHDVNJKBR-UHFFFAOYSA-N 277.314 3.622 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCCCOC(C)(C)C 610681188 WCINRVRUOOAFFJ-UHFFFAOYSA-N 290.407 3.963 30 20 CHED C=CCC1(CNC(=O)C2(SC)CCC2)CCCC1 456503145 ILBXDRIACPZHSH-UHFFFAOYSA-N 267.438 3.525 30 20 CHED CC1(C)Cc2cccc(NC(=O)c3ccc(C#N)s3)c2O1 530395481 OGPRCLFZBKPSQB-UHFFFAOYSA-N 298.367 3.586 30 20 CHED CC(C)(CNc1cccc(Cl)c1C#N)c1ccccn1 450610815 HNLUPLZNSBOAGA-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CN(CC1(C#N)CCC1)[C@@H]1CCC[C@H]1c1ccccc1 459714354 VACSEJRTIXAQOG-DLBZAZTESA-N 268.404 3.948 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc([C@@H]2CC2(C)C)no1 361020994 BWNOXQDKGCECCF-MFKMUULPSA-N 267.332 3.607 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(COCC)cc1 454894327 WNAAZIUHFDNJRV-UHFFFAOYSA-N 276.380 3.557 30 20 CHED N#Cc1ccnc(N[C@@H](c2ccccc2F)C2CCCC2)n1 450383278 ZPDXLEDZABFRNK-MRXNPFEDSA-N 296.349 3.831 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 276438388 SLPIIDIPMDBPET-MRXNPFEDSA-N 272.392 3.664 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccccn1 614402354 ADUAYMBFZDFXKF-SFHVURJKSA-N 277.371 3.599 30 20 CHED CC(C)[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612366440 QTOROJUBOTTYSF-WMZOPIPTSA-N 284.403 3.578 30 20 CHED C=CCCc1noc(-c2ccc(N3CCCCCC3)nc2)n1 453249814 VMSOOMKFPDTNFO-UHFFFAOYSA-N 298.390 3.631 30 20 CHED CC(C)c1cccc2c1CCN(Cc1cc(C#N)n(C)c1)C2 361604791 VJALQJBVXLECHX-UHFFFAOYSA-N 293.414 3.578 30 20 CHED C#CCCCNc1ccc(C(=O)NCC(C)C)c(Cl)c1 270930105 PWWSUYSJOLEQBM-UHFFFAOYSA-N 292.810 3.551 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1nc2c(s1)CCC2 457925459 OWIKXLOADZFCGR-LLVKDONJSA-N 290.432 3.577 30 20 CHED CCCN(c1nccc(C#N)n1)[C@@H](CC)c1ccccc1 450289751 SRAWHQUQNWNWQJ-INIZCTEOSA-N 280.375 3.716 30 20 CHED C=C(C)Cn1c(N2CC[C@H](C(C)C)C2)nnc1C(C)(C)C 549270640 IFDBXENAHBOJED-AWEZNQCLSA-N 290.455 3.634 30 20 CHED C=C(C)CCN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 453314119 IJEIRLKMZXFKHO-IRXDYDNUSA-N 287.403 3.724 30 20 CHED C[C@H]1CC=C(C(=O)N[C@H](C#N)c2ccccc2Cl)CC1 455647241 LLTNJGBXWMYFPR-XHDPSFHLSA-N 288.778 3.767 30 20 CHED COc1ccc(C)cc1[C@@H](C)N[C@H]1CCC[C@@H](C#N)C1 459650322 MFXKUYZINIEHNX-KFWWJZLASA-N 272.392 3.737 30 20 CHED C=CCC1(CN[C@@H](C)c2nccnc2C)CCCC1 453361555 KJMXCZHDEOWJAW-AWEZNQCLSA-N 259.397 3.572 30 20 CHED C#CCCCC(=O)Nc1ccc(N2CCCCCC2)cc1 277524403 PSNTUFJLBHOTSG-UHFFFAOYSA-N 284.403 3.809 30 20 CHED CC[C@@H]1c2ccsc2CCN1CC1(C#N)CCC1 450264542 TYGPDGOCYAQZDB-CYBMUJFWSA-N 260.406 3.751 30 20 CHED C=CCC1(NC(=O)CCc2cncc(C)c2)CCCCC1 456365486 LIOCHDFGSVWOLJ-UHFFFAOYSA-N 286.419 3.718 30 20 CHED Cc1cc(CN(C)C)cc(N[C@@H]2CCC[C@H](C#N)C2)c1 278365437 BQTQXCVUAPKVBD-GOEBONIOSA-N 271.408 3.551 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(Cl)c(C#N)c1 543454909 NFBBFTAGAXKWRB-GXFFZTMASA-N 276.767 3.615 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 544612250 ZYUCRVGBMFVCDA-SLEUVZQESA-N 285.391 3.813 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccc3[nH]ccc23)cc1 624711119 CWUIGERRVUCUMG-UHFFFAOYSA-N 292.338 3.985 30 20 CHED C[C@H](NCCOC1CCCCC1)c1ccc(C#N)c(F)c1 271951032 OLSGXIVDWXSGBU-ZDUSSCGKSA-N 290.382 3.697 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1ccc(F)cc1)C(C)(C)C 278878984 WAGBYPFTSZCEHV-UHFFFAOYSA-N 290.382 3.893 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 467816959 YKERDNLTRFHPHF-JSRQGNBESA-N 273.420 3.696 30 20 CHED C=CCCN(C)C(=O)c1ccnc(SC(C)(C)C)c1 276448989 UIONBXHIEFNALP-UHFFFAOYSA-N 278.421 3.620 30 20 CHED C=C(C)[C@H](Cc1nc(C2CCCCC2)no1)OCC 270015805 HEVAAISIWINOOX-ZDUSSCGKSA-N 264.369 3.641 30 20 CHED C=C(CC)CSCCC(=O)Nc1ccc(F)cc1 540193348 QENKCVWGWAZCDD-UHFFFAOYSA-N 267.369 3.854 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(C(C)(C)C)s1 280599089 JCYDVMWMCKIOMP-SWLSCSKDSA-N 294.464 3.511 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 281185226 ZDUUHEQZSMHKIC-WCFLWFBJSA-N 279.330 3.539 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC(C)(C)[C@H]1[C@H]1CCCO1 289689826 ICHOQUDSSIVFSB-KBRIMQKVSA-N 284.403 3.509 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2CCCC[C@@H]2C)no1 289052850 FSLYBWZBKFLIIR-REWJHTLYSA-N 276.380 3.812 30 20 CHED CCOc1cc(C)ccc1NCCOc1cccc(C#N)c1 462228794 WOAAFQULHCSEDG-UHFFFAOYSA-N 296.370 3.756 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2cccc(C)c2s1 288627143 AFJASWRWVMDLKN-GFCCVEGCSA-N 272.373 3.632 30 20 CHED N#Cc1cccc(CN[C@H](c2ncc[nH]2)C2CCCCC2)c1 285536840 FSZYVQDBTVSERM-KRWDZBQOSA-N 294.402 3.693 30 20 CHED CO[C@H](CNC1(c2cccc(C#N)c2)CC1)c1ccccc1 284514256 VWFMORPUWQWWLZ-GOSISDBHSA-N 292.382 3.525 30 20 CHED CCN(CC#N)Cc1cnc(-c2ccc(Cl)cc2)s1 284370470 NRNXFFIBCYGCMA-UHFFFAOYSA-N 291.807 3.809 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccc(Cl)cn1 558408855 VPVSOLBXFRSSBO-UHFFFAOYSA-N 297.789 3.795 30 20 CHED C=C(CC)CN(C)[C@]1(c2ccccc2)CCCCC1=O 551449112 SHRBMKHFQOXCFP-SFHVURJKSA-N 271.404 3.923 30 20 CHED Cc1cc([C@@H](NC[C@H](C#N)CCC#N)C2CC2)ccc1F 553284228 OKYHHLPFTZWOKG-GUYCJALGSA-N 285.366 3.618 30 20 CHED Cc1cccc(C(C)(C)CNc2cc(C#N)ccn2)c1 553338449 CRFJATAMBHQEFH-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CCC(O)(CC)CCNc1cc(Cl)ccc1C#N 472431198 MBXUYVJJEFSHOW-UHFFFAOYSA-N 266.772 3.565 30 20 CHED CCCSCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297851976 SFQLWRCDVFTXOX-UHFFFAOYSA-N 296.461 3.999 30 20 CHED CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc(C#N)cs1 470149153 PMGBCOHFPLLMLC-LLVKDONJSA-N 288.338 3.783 30 20 CHED CC(CCC(C)C)=NNc1nccnc1C1CCC1 807994319 NBYZCSWIVJLQQG-UHFFFAOYSA-N 260.385 3.968 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C(F)=C2CCCC2)c1 803319759 LXEDLRZWJZKGHT-UHFFFAOYSA-N 299.349 3.869 30 20 CHED C=CCOCCCSCCc1ccc(F)c(F)c1 479604645 NFDSIARGNVZSRO-UHFFFAOYSA-N 272.360 3.833 30 20 CHED Cc1cnccc1CCN(Cc1ccc(C#N)cc1)C(C)C 566675477 PLJSHZJSEJZEOJ-UHFFFAOYSA-N 293.414 3.715 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC=C(c2ccccn2)C1 562479125 UEYMSNZWOJESCJ-HNNXBMFYSA-N 289.382 3.804 30 20 CHED CC(C)C1(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 296292933 IWLBWKWOTQNYTQ-UHFFFAOYSA-N 285.391 3.798 30 20 CHED N#C[C@H](C(=O)c1ccccc1)c1nc(C2CC2)cs1 647371737 XUGMGMKIAIJNLO-GFCCVEGCSA-N 268.341 3.511 30 20 CHED C=CCOCCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 645092705 PSVBTEJNGYAPRB-MRXNPFEDSA-N 284.403 3.550 30 20 CHED C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccsc1 800790076 BEKDMYGOKVTGQO-UGHKADQRSA-N 276.317 3.542 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc2ocnc12 477441984 IBFNBJZKRGVUFU-UHFFFAOYSA-N 294.310 3.645 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc(Cl)c(F)cc1Cl 293606198 WECVUYPZKUHZMK-SSDOTTSWSA-N 289.137 3.555 30 20 CHED CN(CCc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C#N)C1 293215106 VDKPPVAZKCHHOW-UKRRQHHQSA-N 262.784 3.507 30 20 CHED C#C[C@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1F 804419492 OEELFDMSNRSHMX-HNNXBMFYSA-N 293.769 3.850 30 20 CHED Cc1ccc(NC(=S)NCC(C)(C)CCC#N)c(C)c1 806598588 SINKLQBJXDJUFU-UHFFFAOYSA-N 289.448 3.920 30 20 CHED FCCC[C@H]1CCCC1=NNc1ccnc(F)c1 800815623 HTQCQCOACHMBDS-SNVBAGLBSA-N 253.296 3.538 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C)cc(C)n1 800838899 RPJWZPSGRDSSBN-UHFFFAOYSA-N 280.371 3.527 30 20 CHED Cc1cc(CNCc2ccc([C@@H]3C[C@H]3C)o2)ccc1C#N 569777935 VFERSQPMAXDQAL-CXAGYDPISA-N 280.371 3.873 30 20 CHED C[C@H](C#N)OCCSCc1ccc(C(F)F)cc1 802752051 NVRZASCZZGDNIG-SNVBAGLBSA-N 271.332 3.786 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 808272993 PYOYVRBPDMZYDR-NEPJUHHUSA-N 272.820 3.595 30 20 CHED C#CCC1(C(=O)NCC(=C)c2ccccc2)CCCCC1 807800143 YCCHODXYWFLSMS-UHFFFAOYSA-N 281.399 3.790 30 20 CHED C=CCCCCNC(=O)CCCOc1ccc(F)cc1F 471699965 FRLQQWBKHCBAGI-UHFFFAOYSA-N 297.345 3.596 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccccc2-n2cccn2)no1 564238510 GXRQLOOVEZBMBI-QGZVFWFLSA-N 294.358 3.776 30 20 CHED CC(=NNc1ccccc1)c1ccc(CN(C)C)cc1 814684288 LVJQTZILELNFLS-UHFFFAOYSA-N 267.376 3.584 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(C2CCC2)c1 812994028 FROZQUFGOZWNAS-UHFFFAOYSA-N 264.756 3.828 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1ccccc1F 488874839 FMCOZQXYHRAPPY-DZGCQCFKSA-N 275.367 3.571 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CC1CCC(C(C)(C)C)CC1 480689619 NMFRSGKZIREHIA-NFOMZHRRSA-N 278.440 3.847 30 20 CHED C[C@@H](NN=C1CC[C@H]1c1ccccc1)c1ccncc1 819816961 SYKLXEAYZDQEQH-CJNGLKHVSA-N 265.360 3.666 30 20 CHED Cc1ccc(C2=CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 815009699 AXBFUEFKDAXSOR-YJBOKZPZSA-N 266.388 3.776 30 20 CHED C=C(C)CN1CCC(Cc2nc(CC)cs2)CC1 653803066 GACFNANUIRYIOO-UHFFFAOYSA-N 264.438 3.536 30 20 CHED Cc1cc(C#N)cnc1C(=O)Oc1ccccc1C(C)C 815902606 KHYZHCQGLMKOFG-UHFFFAOYSA-N 280.327 3.604 30 20 CHED CC1(C)OCCC1=NNc1cccc(C(F)(F)F)c1 814690048 RPEIYUJQVWGMCI-UHFFFAOYSA-N 272.270 3.672 30 20 CHED CC(=NOCCOC(C)C)c1ccc2ccccc2c1O 812240023 GZKKPUXCMRKIHW-UHFFFAOYSA-N 287.359 3.711 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNc2ccccc2)cc1 812371141 LVYQBBVUWXITJA-UHFFFAOYSA-N 276.343 3.831 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cnn([C@@H](C)CC)c1C 489068289 HJFVFSPMGNIMRT-JSGCOSHPSA-N 290.411 3.735 30 20 CHED C=CCN(C)C(=O)NCc1cccc(-c2cccc(C)c2)c1 488942840 UDHDDHFUEJWFHZ-UHFFFAOYSA-N 294.398 3.989 30 20 CHED CON=Cc1cnn(C2CCCC2)c1-c1ccccc1 817322659 GUYZLJUAIFXIKV-UHFFFAOYSA-N 269.348 3.646 30 20 CHED Cl/C=C/CON=Cc1sc(Cl)nc1Cl 811672054 OWXBCQVNCWKBMT-VKJPGEBCSA-N 271.556 3.553 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2ccc(C#N)cn2)C1 579854483 ATUSBSVKRMNJQF-ACJLOTCBSA-N 295.361 3.675 30 20 CHED Cl/C=C\CON=Cc1cnc(-c2cccs2)s1 811671845 LBKIEZWZWKPSAM-XCDHHBBJSA-N 284.793 3.975 30 20 CHED Cc1nc(N2CCC[C@@H](CC(C)C)C2)ccc1C#N 488075975 LSTHMLUFSDHXCB-AWEZNQCLSA-N 257.381 3.524 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C[C@H](C)C2CC2)cc1 726941682 IEHFRHYYWIIRJC-AWEZNQCLSA-N 270.376 3.678 30 20 CHED Cc1cccc(C)c1OCCN(CCC#N)CC(C)(C)C 578404301 RBXAXEYMUIAIJW-UHFFFAOYSA-N 288.435 3.944 30 20 CHED C=CC[C@H](C(=O)NCCC(C)(C)C)c1ccccc1 488607722 IZQDPYRYMIREIO-HNNXBMFYSA-N 259.393 3.899 30 20 CHED Cc1ccc(F)cc1CN(C)Cc1cc(C#N)ccc1F 491887735 JCIFCCPKAAZHNW-UHFFFAOYSA-N 286.325 3.777 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2C)ccc1O 728231956 OSFQZGAAKHKKJU-YFHOEESVSA-N 252.313 3.905 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H]1CCC2(CCCC2)O1 821452368 XXCLBOGBFCKALM-ZDUSSCGKSA-N 266.381 3.624 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc3c(cn2)CCCC3)C1 823502515 XYCYHSOOBISLKQ-AWEZNQCLSA-N 299.418 3.780 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CSCCC(C)C 497798205 JGEJPJASUVWENY-UHFFFAOYSA-N 291.460 3.981 30 20 CHED CCCC(C)=NNC(=S)Nc1ccc(OC(C)C)cc1 727258189 XZZDFCQJAUJASX-UHFFFAOYSA-N 293.436 3.936 30 20 CHED C=CCCC(=O)OCC(=O)c1ccc2ccccc2c1 726651956 IFEMJMKTPQVCIS-UHFFFAOYSA-N 268.312 3.532 30 20 CHED C[C@H](Cc1ccccc1Cl)C(=O)N(C)CC(C)(C)C#N 497354943 OXYRQKMPSXSDGD-GFCCVEGCSA-N 292.810 3.527 30 20 CHED CC(C)c1nc2cc(NC(=O)CCCC#N)ccc2o1 589690250 VYJVNUAHAATRPH-UHFFFAOYSA-N 271.320 3.584 30 20 CHED N#CC1(CCCCSCc2cc3n(n2)CCC3)CCC1 901802747 NEWLHWNQADPMBW-UHFFFAOYSA-N 289.448 3.927 30 20 CHED CCCCCCCC(=O)NC[C@@H](c1cccs1)N(C)C 821315643 OHHAVGHFDKLIDY-AWEZNQCLSA-N 296.480 3.828 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(COC)c2)C1 665499475 GGXUYXPQPMHJOH-AWEZNQCLSA-N 288.391 3.653 30 20 CHED CCn1cncc1/C=C\C(=O)c1ccc(OC(C)C)cc1 901437859 INCDXIBUWSPVFE-YFHOEESVSA-N 284.359 3.586 30 20 CHED C#Cc1cccc(N(C)C(=O)CC[C@H]2CC2(Cl)Cl)c1 825980098 QWYHVSISQXNFQZ-LBPRGKRZSA-N 296.197 3.605 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCC[C@@H](C)C1 497407173 KGLMJBXXJBRPTR-HUUCEWRRSA-N 290.407 3.598 30 20 CHED CCOC(=O)[C@@H](CC)SCCCCC1(C#N)CCC1 901504591 FVPRTZLJNHDNTM-CYBMUJFWSA-N 283.437 3.925 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 491743919 YLYCIRJZSMARBM-LLVKDONJSA-N 299.374 3.611 30 20 CHED COc1ccccc1[C@@H](C)SCc1cc(C#N)ccn1 901498047 XFEMBISRAWXMQX-GFCCVEGCSA-N 284.384 3.956 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(F)c(COC)c2)no1 664963903 WVMWVNMEYZHSPH-INIZCTEOSA-N 290.338 3.876 30 20 CHED C=CCN(C(=O)NC[C@H](c1ccccc1)C1CC1)C(C)C 838601631 JHJKWUNQFIZKJP-QGZVFWFLSA-N 286.419 3.786 30 20 CHED C=CCC1(NC(=O)NCc2ccccc2F)CCCC1 663419508 JSJAAQSVKHRXFA-UHFFFAOYSA-N 276.355 3.514 30 20 CHED C=CC[C@H](NC(=O)N(C)CC1CCCC1)c1ccncc1 734684278 MWDOAXLOHNUOII-INIZCTEOSA-N 287.407 3.530 30 20 CHED C=CC1CCN(C(=S)Nc2ccc(OCC)cc2)CC1 731942902 VCFWFNYNEACCQB-UHFFFAOYSA-N 290.432 3.680 30 20 CHED Cc1cc(F)ncc1C(=O)OCCCCC1(C#N)CCC1 909473409 HYNNQDOZMJXHAL-UHFFFAOYSA-N 290.338 3.550 30 20 CHED CC1(Cc2noc(CCCCCC#N)n2)CCCC1 589156296 RUTWRSBMCWILRU-UHFFFAOYSA-N 261.369 3.819 30 20 CHED O=C1/C(=C/C2=Cc3ccccc3OC2)Cc2cc(F)ccc21 734305266 OKKZROODJCDELN-OVCLIPMQSA-N 292.309 3.967 30 20 CHED C=CCN(Cc1cccc(OC(F)F)c1)C(C)C 747811244 FLLFZZNMQLRNBR-UHFFFAOYSA-N 255.308 3.684 30 20 CHED CC(C)C(CCc1ccccc1)=NNc1cccnn1 735974401 CXSXGGAKMCMHKK-UHFFFAOYSA-N 268.364 3.533 30 20 CHED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C#CC(C)(C)C 837428430 JJVFXHTUFGUZJW-UKRRQHHQSA-N 287.378 3.580 30 20 CHED COCOc1ccc(C#N)cc1-c1cc(C)c(OC)cc1C 904882332 RDJLBGZHEDRISL-UHFFFAOYSA-N 297.354 3.833 30 20 CHED CC[C@@H](NCCc1ccc(Cl)nc1)c1cccc(C#N)c1 902841696 QSEMXHJKLICIAP-MRXNPFEDSA-N 299.805 3.890 30 20 CHED CCOc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1 588535143 MHQZQNJYRBOMEC-NTEUORMPSA-N 280.323 3.613 30 20 CHED O=C(C#CC1CC1)OCc1cc(Cl)sc1Cl 838366119 JNUMNKXTEIVBDE-UHFFFAOYSA-N 275.156 3.512 30 20 CHED CCc1nn(C)c(Cl)c1C=NNc1cc(C)cc(C)c1 734745066 HTSFUOYFLZEDOS-UHFFFAOYSA-N 290.798 3.699 30 20 CHED COc1ccc(/C=C\C(=O)c2sccc2C)cc1OC 733749291 VGIYEUCWOWWKMB-XQRVVYSFSA-N 288.368 3.970 30 20 CHED CCCCCCCC(=O)NCCc1ccc2c(c1)CCO2 733938196 YCHLMTOJTZVTKU-UHFFFAOYSA-N 289.419 3.641 30 20 CHED CCCCCCCC(=O)NCc1cnc(C)cc1C 837104024 PVGJJQDYZKRWDP-UHFFFAOYSA-N 262.397 3.675 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc3cccc(F)c3o2)C1 839060917 ZUOIGXLIRMEWEH-JQWIXIFHSA-N 287.290 3.811 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1cc2ccccc2nc1O 909528509 BXUTUBZBIOVQKC-LBPRGKRZSA-N 285.343 3.586 30 20 CHED N#CCCCCCC(=O)NC[C@@H]1CCCc2ccccc21 588149433 HRPFZFSVYCRSML-INIZCTEOSA-N 284.403 3.697 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2cccc(Cl)c21 675213783 HVCYVWQJDTWJCH-UHFFFAOYSA-N 275.779 3.998 30 20 CHED CC(C)(Cc1ccc(Cl)cc1)C(=O)OCCCC#N 838416663 CKOPQYWSALSYPX-UHFFFAOYSA-N 279.767 3.756 30 20 CHED Cc1ccc(OCCN[C@@H]2CCc3ccc(C#N)cc32)cc1 583663658 PYNZZAAAWVZSLI-LJQANCHMSA-N 292.382 3.523 30 20 CHED CC(C)c1ccoc1C(=O)N[C@@H](C)c1cccc(C#N)c1 585699667 ATNVBJCOVDQCNH-LBPRGKRZSA-N 282.343 3.766 30 20 CHED Cc1cccc(Cl)c1OC(=O)Cc1ccc(C#N)cc1 736022666 YHUZYFYSAXAIIO-UHFFFAOYSA-N 285.730 3.668 30 20 CHED CO[C@H]1CCCCC1=NNc1ccc2ccccc2n1 915938446 AVFQVJRGNGBJTC-HNNXBMFYSA-N 269.348 3.592 30 20 CHED C=CCOC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 738773161 CBBAKZUWJBFBAW-SNVBAGLBSA-N 272.266 3.613 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](c1ccccc1)C1CCCC1 736399183 ULMHQDXLYFDZLA-HNNXBMFYSA-N 292.810 3.970 30 20 CHED CCN(C(=O)C#CC(C)(C)C)[C@H](C)c1ccc(F)cc1 837354337 ZURLXFVVCLQKPV-CYBMUJFWSA-N 275.367 3.785 30 20 CHED CC(CC(C)(C)C)=NNc1nnc(-c2ccccn2)s1 834973215 NEQIDDULDHTCEC-UHFFFAOYSA-N 289.408 3.824 30 20 CHED C=CCON=C(C)c1oc2ccc(OC)cc2c1C 835015954 PUVJMHSBXZWNLL-UHFFFAOYSA-N 259.305 3.676 30 20 CHED CCCCCCCC(=O)OCC(=O)N1CCCC[C@H]1CC 919223058 NKILVSHLDDSCRI-OAHLLOKOSA-N 297.439 3.681 30 20 CHED N#CC1(C(=O)OC[C@H]2CCCCC2(F)F)CCCCC1 835643372 QMLQDFVPTGAENS-GFCCVEGCSA-N 285.334 3.829 30 20 CHED N#CCc1cccc(NC(=O)N(CC2CCC2)CC2CC2)c1 590854611 OLDNUMGKEOVQEH-UHFFFAOYSA-N 297.402 3.797 30 20 CHED CC(C)Oc1ccc(N=Cc2cc(Cl)ccc2O)cn1 917558327 LNOOMAIMGFRDII-UHFFFAOYSA-N 290.750 3.978 30 20 CHED C=CCCC[C@H](C)NC(=O)c1[nH]c(-c2ccccc2)nc1C 678894369 BZEBXAKXUQAMGE-ZDUSSCGKSA-N 297.402 3.860 30 20 CHED CC[C@H](C#N)C(=O)NCCc1cccc(-c2ccccc2)c1 593529281 BJXUNOGRVGPKBH-MRXNPFEDSA-N 292.382 3.562 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@H]2Cc3ccccc32)n1 747193671 MCDCWBGRNUEIDG-UONOGXRCSA-N 296.395 3.783 30 20 CHED CCN(CCSC)Cc1cccc(OCCCC#N)c1 592530472 XCDYXOGPLNSMRO-UHFFFAOYSA-N 292.448 3.554 30 20 CHED Cc1ccc(C(C)(C)CN[C@H](C)c2ccc(C#N)cc2)nc1 599072054 XBSBIZOBZIEMIF-OAHLLOKOSA-N 293.414 3.890 30 20 CHED C=C(Cl)COC(=O)COc1cc(Cl)cc(Cl)c1 745600224 CPXRYNXZOCPUON-UHFFFAOYSA-N 295.549 3.668 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](C)c1cccc(CC(C)C)c1 594090953 JBXYLZOYGCVUMA-PBHICJAKSA-N 286.419 3.749 30 20 CHED N#C[C@@H]1CC[C@@H](SCc2cccc(F)c2F)C1 918861877 ROHOFILQUDSPLB-MWLCHTKSSA-N 253.317 3.890 30 20 CHED C[C@@H]1CCCC[C@H]1/N=C\c1cc2ccccc2nc1O 912774556 JJALEPZUKULTQS-IRVOQCMOSA-N 268.360 3.938 30 20 CHED COc1cccc(/C=C2\Cc3c(F)ccc(F)c3C2=O)c1 749583217 VTTXSBKPALUYNL-YRNVUSSQSA-N 286.277 3.796 30 20 CHED C[C@@H](CCC#N)N1CCC(=Cc2cccc(F)c2)CC1 593966420 CSHWUTOXUBMPID-AWEZNQCLSA-N 272.367 3.997 30 20 CHED C#CCCCNC(=S)Nc1c(CC)cccc1CC 743010273 CLJJLMSVRCVCKM-UHFFFAOYSA-N 274.433 3.511 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H]1COc2ccccc2C1 742390562 SMBBEHJQCGKGCM-LBPRGKRZSA-N 298.773 3.875 30 20 CHED CC[C@@H](C#N)C(=O)N(CCC(C)C)c1ccc(OC)cc1 593675759 CIEDGKFJUVHCMK-AWEZNQCLSA-N 288.391 3.624 30 20 CHED Cc1ccc(C/N=C(/NCC2CC2)Nc2ccccc2)cc1 849053681 JYXDMZPJKWEFPH-UHFFFAOYSA-N 293.414 3.963 30 20 CHED COCCCCCSCCc1ccc(C#N)cc1 596337890 DUUCSXKZTOERMG-UHFFFAOYSA-N 263.406 3.651 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1scnc1C 742434629 LSJSCOBOCKTTSU-WAYWQWQTSA-N 261.321 3.795 30 20 CHED COc1ccc(S[C@@H](C#N)C2CC2)cc1Br 919615762 FWTAVLMIGVDSGX-LBPRGKRZSA-N 298.205 3.852 30 20 CHED C[C@@H](Cc1ccncc1)/N=C/c1c(O)ccc2ccccc12 749844890 NGKICINZKSLTEV-HADWXUJASA-N 290.366 3.991 30 20 CHED C[C@@H](C(=O)OCCC1(C#N)CCCCC1)c1ccco1 840234052 UPICUEQBCJCDTP-CYBMUJFWSA-N 275.348 3.790 30 20 CHED CCCCCCCCC(=O)NCc1ccc(C)cn1 844012079 JCWRZIQZDHDJRD-UHFFFAOYSA-N 262.397 3.757 30 20 CHED C/C=C(/C)COC(=O)C[C@H](CC#N)c1ccccc1 842845990 MJGHKHFYNUASNZ-BTLPXRKTSA-N 257.333 3.583 30 20 CHED N#CCCCCOC(=O)c1ccnc(Oc2ccccc2)c1 749295312 ZCAQLKNAUBKDJO-UHFFFAOYSA-N 296.326 3.725 30 20 CHED Cc1cc(NC(=O)CCCSC(C)(C)C)ncc1C#N 847133467 RILBSHLNCPRIFA-UHFFFAOYSA-N 291.420 3.512 30 20 CHED CC(C)Cn1nccc1/C=C1/Cc2cc(F)ccc2C1=O 843268023 GLBWDNMIUYGIMU-LCYFTJDESA-N 284.334 3.501 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)[C@@H]1C[C@H]2C=C[C@H]1CC2 848414339 MGXFWHMCYATOFL-QRTARXTBSA-N 298.386 3.704 30 20 CHED C#CCOc1ccccc1CNC(=O)C1CCCCCCC1 741566855 SLFNPIUYTSATJB-UHFFFAOYSA-N 299.414 3.675 30 20 CHED C=CCCCCCCNC(=O)Nc1cccc(CNC)c1 841313781 SBQICKXXNGPOKX-UHFFFAOYSA-N 289.423 3.664 30 20 CHED C=C(C)CCOC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 744302955 JHVSZDJAYWMDGU-WDEREUQCSA-N 264.287 3.865 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cc(Cl)ccc1O 845095981 JYEPHTXSTNZETA-NSHDSACASA-N 296.798 3.590 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C[C@H]2CC=CCC2)o1 746497972 OBLODRYVMYFIMF-NSHDSACASA-N 272.352 3.598 30 20 CHED C#CC[C@@H](OC(=O)[C@H]1CCC(C)=C(C)C1)c1ccccn1 842709937 IBKTWMBEDWHFRS-DOTOQJQBSA-N 283.371 3.826 30 20 CHED C=CCNC(=S)Nc1ccc(OCCC(C)C)c(F)c1 848655237 UZFKGDHGYYHLON-UHFFFAOYSA-N 296.411 3.723 30 20 CHED C[C@H](C(=O)O[C@@H](C#N)C(C)(C)C)c1ccc(Cl)cc1 845510781 DSQMWEBFETUBPW-GWCFXTLKSA-N 279.767 3.925 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1cccc2[nH]ccc12 759353285 FKOYVAPFDLXJMP-UHFFFAOYSA-N 294.285 3.536 30 20 CHED Clc1ccc(NN=Cc2csc(C3CC3)n2)nc1 853437099 AFRZRJPSGIYMPB-UHFFFAOYSA-N 278.768 3.515 30 20 CHED N#C[C@H]1CC[C@H](NCC2(c3cccc(F)c3)CCC2)C1 926921423 DWFWYIIZTUAEIP-BBRMVZONSA-N 272.367 3.529 30 20 CHED COc1ccc(/C=C2\Oc3cc(F)cc(F)c3C2=O)cc1 758028037 BHPGHEPTHHVNJH-NSIKDUERSA-N 288.249 3.590 30 20 CHED C=CCC[C@H](NCC1SCCS1)c1ccco1 850562721 WYFNBADQCHWFOL-NSHDSACASA-N 269.435 3.683 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(F)c(F)c2)c1 759211008 XCVVDPONZCOGEY-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CCCC=NNc1ccc(C#N)c(C(F)(F)F)c1 755683884 UMCIKYLTRKPUSK-UHFFFAOYSA-N 255.243 3.775 30 20 CHED CCOc1cccc2cc([C@H](C)NC(=O)C#CC(C)C)oc12 854287609 IALVCPIXWNCYCY-ZDUSSCGKSA-N 299.370 3.668 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1csc(C(=O)O)c1 755592040 DUUBVCXQLZBPKT-OWOJBTEDSA-N 294.278 3.621 30 20 CHED CC[C@H](CC(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1)C(C)C 750731087 UKMCENMAMKMCBC-OLZOCXBDSA-N 298.390 3.515 30 20 CHED C#C[C@H](CC)NC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 753260134 VNASUAXJICPQMB-GOSISDBHSA-N 296.414 3.514 30 20 CHED CCCn1nccc1/C=C1/CCOc2cc(C)ccc2C1=O 853007251 RYQSBDDCOBHIKU-OWBHPGMISA-N 296.370 3.650 30 20 CHED CCCOc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1C 858568898 ROVDQBBSMGNVLU-HIFRSBDPSA-N 258.365 3.888 30 20 CHED CCC/C(C)=C\C(=O)Nc1cc(C#N)ccc1OCC 920225283 WDYLHRHCCFCYGV-XFXZXTDPSA-N 272.348 3.642 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2cc(C)ccc2OC)c1 757468648 UMNHESWKSWCRBY-ALCCZGGFSA-N 298.338 3.614 30 20 CHED C=C[C@H](CC(=O)OCC(=O)c1ccccc1)c1ccccc1 758908079 NJTOKRNHABVJOZ-OAHLLOKOSA-N 294.350 3.772 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(F)cc2O)c1 757477000 WNTIBUMBMZSYBV-VMPITWQZSA-N 286.302 3.574 30 20 CHED COC(=O)c1ccc(NN=C2CCC(=C3CCC3)CC2)nc1 853325818 PONXEAHERCXMJO-UHFFFAOYSA-N 299.374 3.691 30 20 CHED C[C@@H](COCC1CCCCC1)NCCCC(C)(C)C#N 932424817 MRVZAFDWQVNAJU-HNNXBMFYSA-N 280.456 3.891 30 20 CHED C[C@@H](C=NNc1ccccc1C(=O)O)c1ccc(F)cc1 756876412 NXURDRDVXPRCBR-NSHDSACASA-N 286.306 3.725 30 20 CHED N#CC1(CCCCN2C[C@H](CO)Cc3ccccc32)CCC1 930537063 YCXZYGFCXNICAO-MRXNPFEDSA-N 298.430 3.522 30 20 CHED C=CC[C@@H](NCc1cc(COC)cs1)c1ccncc1 850137878 UVVQYYMNIJQHQT-MRXNPFEDSA-N 288.416 3.697 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc3c(c2)CCN3C)o1 751533223 BSEGVUBLURQQET-YVMONPNESA-N 281.355 3.730 30 20 CHED C=CCCNc1ccc(C(F)(F)F)c(Cl)n1 853790689 INTSQEIJYVJEAZ-UHFFFAOYSA-N 250.651 3.742 30 20 CHED C#CC[C@@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 757600403 YIRLNBIZPJONNY-QGZVFWFLSA-N 297.785 3.763 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)c(OC)cc1F 934612094 NLKLDDMDXSMBMZ-SECBINFHSA-N 269.291 3.514 30 20 CHED CCSc1ccccc1CN1CCC[C@H](CC#N)C1 930925366 YMEBKGIKHRDRKE-CQSZACIVSA-N 274.433 3.924 30 20 CHED Cc1cccc(F)c1NN=C1CCCc2scnc21 863108957 ZXCSSSONHJMFBP-UHFFFAOYSA-N 275.352 3.743 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1ccncc1 769826242 BONBMFPCUHOFIU-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CC(=NNc1cccc(F)c1Cl)[C@@H]1CCCOC1 863158691 MGLUFHPXYFRIFF-SNVBAGLBSA-N 270.735 3.694 30 20 CHED N#Cc1ccsc1NC(=O)N1CCCc2ccccc2C1 931838907 KOKMRCWLBORLPE-UHFFFAOYSA-N 297.383 3.600 30 20 CHED C#CCOc1ccccc1CN(CC)Cc1cccs1 768198351 SNRCLFCBTVXPRO-UHFFFAOYSA-N 285.412 3.782 30 20 CHED C#C[C@@H](OC(=O)CCCCCC#N)c1ccc(C)cc1 860961718 FFQROCHHMODKQL-MRXNPFEDSA-N 269.344 3.687 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1ccc(F)cc1F 860197204 FZFCTKRTBXQMMI-SNVBAGLBSA-N 281.302 3.899 30 20 CHED C#CCC(C)(C)C(=O)OCCc1c(F)cccc1Cl 767665622 OSKLMECSILJWIP-UHFFFAOYSA-N 282.742 3.614 30 20 CHED CC1(C)CN(CCCCC2(C#N)CCC2)[C@@H]1[C@@H]1CCCO1 930508047 MAMKTRHKGLAKQP-JKSUJKDBSA-N 290.451 3.740 30 20 CHED Cc1ccc(C=NN[C@H]2CCOC(C)(C)C2)cc1Cl 766478458 QHZWPZWAKGRAOX-ZDUSSCGKSA-N 280.799 3.530 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2sccc2C#N)C1 931842533 LLEUCHDCMWTDFL-AWEZNQCLSA-N 277.393 3.664 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(F)cc1F 764431723 GPFATDCVPVUBMF-PLNGDYQASA-N 280.295 3.931 30 20 CHED C[C@@H](CC(=O)OCC1(C#N)CCC1)CC(C)(C)C 768096448 GZVWDRHNESXHLS-LBPRGKRZSA-N 251.370 3.686 30 20 CHED CCSc1ccccc1C(C)=NNCC(F)(F)F 769823925 BYJWCTNZURMCGG-UHFFFAOYSA-N 276.327 3.675 30 20 CHED COc1cc(C#N)ccc1CSc1nc(C)c(C)s1 766292410 IQSIFSRUIXJZRD-UHFFFAOYSA-N 290.413 3.933 30 20 CHED C=CCCCCOC(=O)c1csc(-c2ccco2)n1 1117801767 BQFWWVROTKLKIR-UHFFFAOYSA-N 277.345 3.916 30 20 CHED CC1(C)C(=NNCc2ccc(Cl)cc2)[C@H]2CCCO[C@H]21 764719527 ZJCMCYBNAAATSA-UKRRQHHQSA-N 292.810 3.621 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCCCCCN2CCCC2)C1 765927380 RNAIPIBNWSPLEK-MSOLQXFVSA-N 291.483 3.705 30 20 CHED Cc1cc(C)cc(C2(C(=O)OCC3(C#N)CCC3)CC2)c1 768092113 WOYOGPZQAKSKIT-UHFFFAOYSA-N 283.371 3.572 30 20 CHED CC(C)(C)CN(CCC#N)Cc1nc(Cl)cs1 876691895 RXTXOHQSLLEYPD-UHFFFAOYSA-N 271.817 3.558 30 20 CHED C[C@H](/N=C\c1ccc(O)c(O)c1O)c1ccccc1Cl 774541740 KKXNTZXJOHCHBO-NRMZQKLJSA-N 291.734 3.637 30 20 CHED CON=C1CCC[C@H]1c1ccc(C(F)(F)F)cc1 776764757 WUHDLHRMQDLJSC-NSHDSACASA-N 257.255 3.975 30 20 CHED CC(C)(C)c1nsc(N[C@H]2CCc3cc(C#N)ccc32)n1 1116832478 UNCZVMQFKOTLEA-ZDUSSCGKSA-N 298.415 3.807 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)OC2CCCCC2)C1 1118782375 RXIVGWWEISIIOC-HUUCEWRRSA-N 279.424 3.539 30 20 CHED c1ccc2c(c1)NCCCC2=NNc1nc2ccccc2[nH]1 774317943 APYIRLRDHDKEDT-UHFFFAOYSA-N 291.358 3.585 30 20 CHED C=C(CC)COC(=O)Cc1c[nH]c2c(C)cccc12 773522575 KYKDAJZCKSELRY-UHFFFAOYSA-N 257.333 3.528 30 20 CHED CC(C)c1nccnc1NN=C1CCCc2cc(F)ccc21 773091715 WLBZMEJXTXFQFH-UHFFFAOYSA-N 298.365 3.892 30 20 CHED CC(C)c1ncc(C=NOCCC(F)(F)F)s1 777459550 RXPFMNDFNPIZLT-UHFFFAOYSA-N 266.288 3.569 30 20 CHED Cc1nc(C=NNc2nc3ccccc3cc2C)cs1 776785173 SYQLPWGZMLANSV-UHFFFAOYSA-N 282.372 3.754 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCO[C@H](C#N)C1 775162667 XVIVXRLCJKFRTH-HZPDHXFCSA-N 294.439 3.514 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1cccc(F)c1Cl 771939904 LSHPDWLYDQQELM-JTQLQIEISA-N 286.730 3.504 30 20 CHED CCc1cnccc1[C@H](C)/N=C/c1c(O)cccc1OC 773152640 RTJJNXSUYFFWLI-MKFNJMOCSA-N 284.359 3.538 30 20 CHED Fc1ccc2c(c1)OCCCC2=NOCCC(F)(F)F 777458074 DWGYDVAIJUKUCR-UHFFFAOYSA-N 291.244 3.671 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1cccc(F)c1F 779950202 JHXHCHKCGXNPAX-GFCCVEGCSA-N 279.330 3.726 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(C#N)c(F)c1 776757831 ACLFIWZRQGYPFJ-UHFFFAOYSA-N 267.307 3.842 30 20 CHED CC(C)c1cnc(CNc2ccccc2O[C@@H](C)C#N)o1 779744639 YVQZRYDISXYOIO-LBPRGKRZSA-N 285.347 3.701 30 20 CHED C=C(CC)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 1123759275 CVHMMJVPUBDHEN-ZDUSSCGKSA-N 277.339 3.510 30 20 CHED CCC(Cc1cccs1)=NN[C@H]1CCOC(C)(C)C1 780248900 BELATJDOQYWSTO-ZDUSSCGKSA-N 280.437 3.604 30 20 CHED C=C(CC)C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1123730557 ULNMOOPLEOHGBM-IRXDYDNUSA-N 287.403 3.545 30 20 CHED Cc1ccc2cc(C=NN[C@@H]3C[C@H]4CC[C@H]3C4)ccc2n1 783522027 HJMMWILDYYKZPA-QANKJYHBSA-N 279.387 3.655 30 20 CHED C=C1CCC(C(=O)N(C)Cc2ccccc2F)CC1 887678330 YYVCSQFEBOZZTI-UHFFFAOYSA-N 261.340 3.531 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C(\C)c1ccc(F)cc1 785861477 AJCQIWRTIIFBFN-CJTWTEFWSA-N 273.351 3.796 30 20 CHED C#C[C@H](C)NC(=O)Nc1cc(Cl)ccc1SCC 789838335 UNANHTMKSOQYHI-VIFPVBQESA-N 282.796 3.595 30 20 CHED C=CCCCCCN(C)C(=O)/C=C\c1cccc(O)c1 780778112 ZIFGQNBQBWETGN-QXMHVHEDSA-N 273.376 3.610 30 20 CHED CC(=NNc1ccnc(F)c1)[C@@H](C)c1ccccc1 781127588 OEMJRHYLVIHIPN-LLVKDONJSA-N 257.312 3.812 30 20 CHED Fc1cc(NN=C(CC2CC2)c2ccccc2)ccn1 781124399 DVSPUQYPHYBTAO-UHFFFAOYSA-N 269.323 3.837 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc2ccc(F)cc2s1 132775690 TXKDDCPJAMGFMZ-UHFFFAOYSA-N 287.359 3.526 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1 782193101 DIVRADDTXIWAJK-VMPITWQZSA-N 286.762 3.697 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)CC1 897361382 GQFGEPHHVLSYFL-BPUTZDHNSA-N 261.409 3.770 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cc(C#N)c(F)cc1F 1132689264 DDXBZODVNBKXJN-SECBINFHSA-N 280.318 3.847 30 20 CHED CCc1cc(N2CCC[C@H](C#N)C2)c2ccccc2n1 895650747 NHFAHYWTETUJSF-CYBMUJFWSA-N 265.360 3.537 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)C2CCCCCC2)n1 1307095709 QHQVLKGDNIVXIH-GFCCVEGCSA-N 272.396 3.681 30 20 CHED C=C(C)CCOC(=O)c1ccc(Oc2ccccc2)cn1 799613562 XSWZQDODPNSIRT-UHFFFAOYSA-N 283.327 3.997 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2C)ccc1C#N 799494201 CFEVKNSCZZHOAP-NTMALXAHSA-N 277.323 3.771 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2)c(Cl)c1 794734331 CGRBZRXAEXVQAI-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CN1CCCC(C)(C)[C@@H]1C/N=C/c1cc(Cl)ccc1O 790599387 XTUBIQSRBBATDH-ZNBBLSJYSA-N 294.826 3.585 30 20 CHED Cc1ccc(C=NNCc2cccc(Cl)c2Cl)nc1 790182221 YDUDJGVZJLRLFA-UHFFFAOYSA-N 294.185 3.821 30 20 CHED C#C[C@H](CC)/N=C/c1cc(Cl)cc(Cl)c1O 792570977 VPBCYDJQNJDBGI-MIJYTDESSA-N 256.132 3.530 30 20 CHED CCCCNN=C(C)[C@H](C)c1ccc(OC)c(OC)c1 794493766 LHVNGBZKUBKECE-LBPRGKRZSA-N 278.396 3.573 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccc(C#N)cc2)CC1 790178556 BPDUZKPIYBKAES-UHFFFAOYSA-N 269.392 3.650 30 20 CHED CCCCCCCCn1cc(C(=O)OC)nc1C1CC1 790507573 ILENBTGYZGIWHO-UHFFFAOYSA-N 278.396 3.908 30 20 CHED Fc1ccc2c(c1)OCCC2=NNc1ccccc1F 794886967 BLRBMVJIIXMQDI-UHFFFAOYSA-N 274.270 3.564 30 20 CHED CC(C)O[C@H](C=NOC/C=C\Cl)c1ccccc1 793054966 IQRBVPKRURTOGX-DIGPOIGHSA-N 267.756 3.908 30 20 CHED CCCCCCCCS(=O)(=O)c1ccc(C#N)cc1F 790173541 JXTRYSPPTAXRKV-UHFFFAOYSA-N 297.395 3.832 30 20 CHED CS[C@@H](C)CC(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567671 ADBXPNDAGTVBBU-VHSXEESVSA-N 296.461 3.758 30 20 CHED C#CCCCN(Cc1ccccc1)C[C@@H](O)c1ccccc1 796356206 JBRLQTIREKUNOO-HXUWFJFHSA-N 293.410 3.636 30 20 CHED Fc1cccnc1NN=Cc1ccc(N2CCCCC2)cc1 794993211 JNTCODKKZWYARF-UHFFFAOYSA-N 298.365 3.657 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](c2ccccn2)C1 799192871 ILPWHXOSVMWGOD-PBHICJAKSA-N 277.371 3.504 30 20 CHED CC(C)[C@H]1CCC[C@@H](NCc2ccc(OCC#N)cc2)C1 792975897 IKGVXYCULRMTJY-DLBZAZTESA-N 286.419 3.893 30 20 CHED Cc1ccc(CCCN2CCc3c(C#N)cccc32)cc1 1307862351 UHSKJRHUXQLZGC-UHFFFAOYSA-N 276.383 3.862 30 20 CHED Cc1cc(SCC[C@H]2CCCCN2C)ccc1C#N 1166394049 ZZVXWMUXTLPQCW-OAHLLOKOSA-N 274.433 3.833 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1Cl)[C@@H]1CC1(C)C 1163529978 DWFKOSGVRJWEQU-JQWIXIFHSA-N 263.772 3.843 30 20 CHED C[C@@H]1CC=C(c2nnc(COc3ccc(C#N)cc3)o2)CC1 1327006666 LFEAAFPHOLNPHD-GFCCVEGCSA-N 295.342 3.724 30 20 CHED C[C@@H]1C[C@H](Nc2cccc(Cl)c2C#N)CS1 397847652 ITYQQMVEDOINFP-BDAKNGLRSA-N 252.770 3.518 30 20 CHED N#Cc1cccc(C2(NCCc3ccc(F)cc3F)CC2)c1 1323397012 QLSFCSVABNHFBB-UHFFFAOYSA-N 298.336 3.658 30 20 CHED Cn1cc(-c2ccc(C=NOC3CCCCC3)cc2)cn1 1321539760 CKRDQUAJFMBICX-UHFFFAOYSA-N 283.375 3.770 30 20 CHED CC[C@@H](C)CON=Cc1sc(N2CCCCC2)nc1C 1324103230 SJJUCLKHDBYFAM-GFCCVEGCSA-N 295.452 3.838 30 20 CHED C=CC[C@H](CC)NC(=O)C(F)(F)c1ccc(Cl)cc1 1321331839 HUYASLJJFROJBV-LBPRGKRZSA-N 287.737 3.903 30 20 CHED C=C(C)CN(CC)CCOc1ccccc1Cl 302747598 RUTRHBOGUSQSTH-UHFFFAOYSA-N 253.773 3.617 30 20 CHED CCC[C@@H](NCc1ccc(F)cc1C#N)C1CCC1 1171035435 AZEAHEHLGVNRJD-MRXNPFEDSA-N 260.356 3.756 30 20 CHED C=CCN(Cc1c(F)cccc1F)C1CCCC1 303193765 GBBFDLFXZPZNJH-UHFFFAOYSA-N 251.320 3.895 30 20 CHED N#Cc1ccc(OCC(=O)c2ccc(F)cc2)cc1Cl 190249447 XJJZFZYNMSBYDP-UHFFFAOYSA-N 289.693 3.612 30 20 CHED C=CC1CCN(Cc2ccc(Br)cc2)CC1 558248679 YBQOFVOKDXHWOF-UHFFFAOYSA-N 280.209 3.847 30 20 CHED CC[C@H](C#N)C(=O)N(C)Cc1cccc(Cl)c1Cl 593385662 ASDFDLRLJBCXNV-SECBINFHSA-N 285.174 3.502 30 20 CHED CS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C1 687961782 OKGQZZOXFNDBJX-KBPBESRZSA-N 294.851 3.928 30 20 CHED CC(C)(C)C(C)(C)CNCc1cccc(F)c1C#N 1182021531 WWYQIPGYRLIMDM-UHFFFAOYSA-N 262.372 3.859 30 20 CHED CSc1ccccc1-c1nnc(-c2cccc(C#N)c2)o1 1322996142 GNARKAYZIDXKCV-UHFFFAOYSA-N 293.351 3.997 30 20 CHED COc1cc(C#N)ccc1CSCc1ccc(F)cn1 1320980322 BNVHDEGMIZTXQB-UHFFFAOYSA-N 288.347 3.534 30 20 CHED CCCCCCO[C@H](C)C(=O)OCc1ccc(C#N)s1 1329170498 YVXAJPATQFOHHQ-GFCCVEGCSA-N 295.404 3.648 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3CC4CCC3CC4)o2)cc1 1329324709 WRXDHRGIXPUFCS-ABIUDSBCSA-N 279.343 3.902 30 20 CHED CC(C)=CCCOC(=O)C[C@@H](CC#N)c1ccccc1 1327118721 UKRKWTYJBCQKGC-MRXNPFEDSA-N 271.360 3.973 30 20 CHED C=CCn1c([C@H]2CCCC2(F)F)nnc1N(CC)CCC 1339796446 OFTDSXXWBJNZKG-GFCCVEGCSA-N 298.381 3.603 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N(C)[C@@H](C)CC#N 576043047 ZCHWHNMAOJHMSH-KBPBESRZSA-N 250.386 3.520 30 20 CHED C=CCC1(c2nnc(COc3ccccc3C#N)o2)CCC1 1331900210 CKTXPZKYQXYAKV-UHFFFAOYSA-N 295.342 3.518 30 20 CHED C[C@H](CCC#N)CN1CCC(C)(c2ccccc2)CC1 1180007653 ZOSVVHWVYIKZEK-MRXNPFEDSA-N 270.420 3.980 30 20 CHED CC(C)CCc1ccc(N=c2cc[nH]c(C#N)c2)cc1 1185108217 XBBOEWRNVSLNGR-UHFFFAOYSA-N 265.360 3.707 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCOC2(CCCC2)C1 94367932 CXMUMBCMXHQCSS-GFCCVEGCSA-N 274.339 3.601 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)O[C@@H](CC#N)c1ccco1 1263661103 ZQVUAIRJOXFEBI-BZPMIXESSA-N 261.321 3.604 30 20 CHED C=C(C)CCC(=O)Nc1ccc(-c2nc(C)c[nH]2)cc1 1336008165 AXFLRONVAOJPBA-UHFFFAOYSA-N 269.348 3.680 30 20 CHED COc1cc(C#N)ccc1OCc1cc(F)ccc1Cl 98057307 YOUIYCOAAFRHHB-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C#CC[C@@H](C)OC(=O)/C=C\c1ccc2cc(OC)ccc2c1 1342559655 AYVOTNJOWUTSAU-SMJHDNPOSA-N 294.350 3.817 30 20 CHED CCC(C#N)(CC)C(=O)NCC1CCCCCCC1 1264719935 URODQSZSWWGHBL-UHFFFAOYSA-N 264.413 3.793 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCC2(CCC2)C1 1507855123 SYEVXVJVFTVLKP-UHFFFAOYSA-N 294.830 3.534 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(F)c(OC)c1 1344684169 HLJZEQOLNQDGKC-ZDUSSCGKSA-N 292.354 3.797 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1cc(C#N)ccc1F 1275425999 PVOQJBUGYMYXMG-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccccc2-n2cccc2)C1 1436649692 QXKUTAJERSBWDB-LSDHHAIUSA-N 294.354 3.716 30 20 CHED CSc1cccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)n1 1524301036 CVRKTYOYAJMSTM-NSHDSACASA-N 298.367 3.593 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)[C@@H](CC#N)c1ccccc1 1523113057 YIEOIRSGMIGJMF-CVEARBPZSA-N 284.403 3.626 30 20 CHED Cc1cc(NCC2(OC(C)C)CCCCC2)ncc1C#N 1458237147 KREWAXDHCOBBOR-UHFFFAOYSA-N 287.407 3.802 30 20 CHED CCC(F)(F)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1468281226 UNKUAUVELQOXQX-UHFFFAOYSA-N 296.317 3.719 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)[C@@H](C)CC#N)CCC2)cc1 1537948889 VHKRTMWVNHLFPO-HNNXBMFYSA-N 298.430 3.992 30 20 CHED Cc1cc(C(=O)/C=C/c2ccoc2C(=O)O)c(C)s1 1607566543 XDAUKLAJCRHMOV-ONEGZZNKSA-N 276.313 3.552 30 20 CHED N#Cc1ccc(F)cc1CSCC(=O)c1ccccc1 1614589575 WZVYQXIJYBZFJT-UHFFFAOYSA-N 285.343 3.813 30 20 CHED O=C(O)c1c(F)cccc1NN=C1CC[C@@H]1C1CCC1 1610805865 FRQYSUFUYPBORU-SNVBAGLBSA-N 276.311 3.502 30 20 CHED N#Cc1ccc(CNCC2(c3cccc(F)c3)CCC2)cc1 1621061105 YXVBURDCGQYKHI-UHFFFAOYSA-N 294.373 3.909 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@]2(C)CCCC[C@@H]2C)c1 1625601927 RWVLSCCBLBIQRO-GUYCJALGSA-N 285.391 3.957 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC[C@@H]1CNc2ccccc21 1575921897 HZKFODWWVJYJNP-UONOGXRCSA-N 271.408 3.504 30 20 CHED C[C@@H]1CC[C@@H](NCC(C)(C)CC#N)CN1Cc1ccccc1 1652638280 DAOHZRSMDDWZMQ-SJLPKXTDSA-N 299.462 3.569 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1cc(Cl)ccc1F 1653886410 KFMDGPJMFHXXIH-SCVCMEIPSA-N 266.747 3.822 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(F)c1 1667107928 AQWIJKPSPHBFQF-GFCCVEGCSA-N 297.333 3.922 30 20 CHED CCCCCCCC(=O)N[C@@]1(C(=O)O)CCCC(C)(C)C1 1595702240 FOIBFSLTORWVRD-KRWDZBQOSA-N 297.439 3.887 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1C#N 1598061355 ONQAZEABMJCIEF-WMLDXEAASA-N 282.387 3.565 30 20 CHED Cc1ccc(C(=O)O)cc1C(=O)/C=C/c1ccc(F)cc1 1777436062 BQWLHPVQGBSMHN-WEVVVXLNSA-N 284.286 3.728 30 20 CHED C=CCCC1(C(=O)O)CCN(CCCC(C)C)CC1 1776169857 ZRNFUQKOZHANAP-UHFFFAOYSA-N 267.413 3.556 30 20 CHED CC(C)[C@H]1CCC(=NNc2ccccc2C(=O)O)C1 1776030719 IQHDTWHYNSTIMQ-NSHDSACASA-N 260.337 3.609 30 20 CHED CCC(CC)C(=O)Nc1sc(C)c(C)c1C#N 5917515 IRLSAMAQJNLGCP-UHFFFAOYSA-N 250.367 3.611 30 20 CHED CCCCCCCS(=O)(=O)Cc1ccc(F)cc1 164577797 UUIMZDZNBGPEIH-UHFFFAOYSA-N 272.385 3.711 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1c(C)cccc1C 155139690 QAZLTSZDTVPATJ-OAHLLOKOSA-N 274.408 3.528 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 153909925 KYJMLSHYXILXPA-QWRGUYRKSA-N 285.309 3.575 30 20 CHED Cc1cccc([C@@H](C)CNCc2ccc(C#N)cc2)c1 153974151 XRWWARLNFYBXKV-HNNXBMFYSA-N 264.372 3.760 30 20 CHED C=CC1CCN(C(=O)CCc2c[nH]c3c(C)cccc23)CC1 155313751 OBYUSJNZTIVZDI-UHFFFAOYSA-N 296.414 3.834 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccccc1C(C)C 155455197 BYIQXADRYABLBK-LBPRGKRZSA-N 259.353 3.624 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1ccccc1O 156606089 OZIXSYYLLMZQIO-CSKARUKUSA-N 275.307 3.837 30 20 CHED CC1CCC(C)(CNCc2ccc(C#N)cc2)CC1 1662376328 VNPCXSIANBRESI-UHFFFAOYSA-N 256.393 3.864 30 20 CHED CC(C)c1ccccc1OCc1cc(C#N)ccn1 902687340 DDBPKSIOIIFDKW-UHFFFAOYSA-N 252.317 3.656 30 20 CHED N#Cc1ccc(OCC(=O)c2ccccc2F)cc1Cl 220981693 MGLXBRFKBBJRRX-UHFFFAOYSA-N 289.693 3.612 30 20 CHED Cc1cc(C#N)ccc1CN1CCSC(C)(C)CC1 228087964 MSCLDIVYBKAKND-UHFFFAOYSA-N 274.433 3.584 30 20 CHED C=CCSCCNc1ccc(C(F)(F)F)cc1C#N 229720717 LOILXFGSPOOXMH-UHFFFAOYSA-N 286.322 3.908 30 20 CHED CC[C@@H](C)CS[C@H](C)C(=O)Nc1cccc(C#N)c1 124358943 FIIXUMGUOVIECA-VXGBXAGGSA-N 276.405 3.665 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](c1ccccc1)[C@@H](C)CC 233356797 IYRAYMCVARRULO-UAGQMJEPSA-N 271.404 3.734 30 20 CHED COc1cc(C#N)cc(OCc2ccc(F)cc2C)c1 234982827 ZGNXIDKKSFPKHW-UHFFFAOYSA-N 271.291 3.593 30 20 CHED COc1cc(CNCc2ccccc2Cl)ccc1C#N 234928493 NAANFXVSLVENDV-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(Br)cc1F 126828365 CNVLUIZUQAUTMB-RKDXNWHRSA-N 272.161 3.813 30 20 CHED C=CCC[C@@H](C)Nc1cccc(C(=O)NCCC)c1 130643611 QYLYHDYTNSBPMM-CYBMUJFWSA-N 260.381 3.593 30 20 CHED C[C@H](Nc1ccc2c(c1)COC2)c1ccc(C#N)cc1 152721340 IZOOCPQWZAKOCE-LBPRGKRZSA-N 264.328 3.762 30 20 CHED C[C@H](NCc1cc(F)ccc1F)c1ccc(C#N)cc1 37508430 GCSAXPQEPAHOHR-NSHDSACASA-N 272.298 3.687 30 20 CHED N#Cc1ccc(CNCCC2CCCCC2)c(F)c1 37741914 HTCWGXWUSHMLQU-UHFFFAOYSA-N 260.356 3.757 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CC(C1CC1)C1CC1 49520689 YXZWINKDUGCRDM-UHFFFAOYSA-N 268.360 3.632 30 20 CHED C=C(C)CNC(=S)N(Cc1ccccc1)[C@H](C)CC 58955160 MWLVQPKUBHFUSH-CQSZACIVSA-N 276.449 3.738 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(C#N)c(F)c1 402704969 IZXQJVUANJDQAG-QMMMGPOBSA-N 288.244 3.614 30 20 CHED C=CCCC[C@H](C)Nc1nc(Cl)c(C#N)s1 309321288 AJGXMYJJRACQFI-QMMMGPOBSA-N 255.774 3.825 30 20 CHED Cc1cc(CN[C@H]2CCC[C@H]2C#N)sc1Br 309857953 LJHZNYAXCLHNSM-ONGXEEELSA-N 299.237 3.601 30 20 CHED C=CCCCN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 512237751 VQTLTSDXUQCWIU-LJQANCHMSA-N 284.447 3.551 30 20 CHED C=CCCCCN[C@@H](C)c1cc(OC)ccc1OC 311610806 JFHREZKBBWTDBL-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED C[C@H]1C[C@H](Nc2cccc(Cl)c2C#N)C[C@@H](C)O1 519521377 DECKWLLAZROTDK-JGPRNRPPSA-N 264.756 3.580 30 20 CHED CCOc1cc(NCc2cc(C#N)cs2)ccc1C 569993175 CEMMHJZWSDARJG-UHFFFAOYSA-N 272.373 3.939 30 20 CHED CCS[C@H]1CCC[C@H]1NCc1ccc(CC#N)cc1 348531229 LWENTYJHEKWFMO-CVEARBPZSA-N 274.433 3.516 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(CC#N)cc1 542209319 CIBIQRGGXJGJPS-UHFFFAOYSA-N 276.383 3.941 30 20 CHED C[C@H]1CCC[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C1 361690539 YJUMDCSHYWSRNP-SWLSCSKDSA-N 260.356 3.708 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(C#N)c(F)c2)[C@H](C)C1 361768131 QKOBBTXSVFVYJA-XHBSWPGZSA-N 260.356 3.612 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 494695809 UIUXDVVBZOQNBU-SRVKXCTJSA-N 288.778 3.976 30 20 CHED CCN(CCOc1ccccc1C#N)c1ccccc1F 50011881 PNUVJFKJATYOQO-UHFFFAOYSA-N 284.334 3.603 30 20 CHED C#CCCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 178053716 ONJRARKKDRTHQW-OAHLLOKOSA-N 288.410 3.880 30 20 CHED CN(CCCSCC#N)Cc1cc2ccccc2o1 175192714 JXBLFNNJGUHHRC-UHFFFAOYSA-N 274.389 3.511 30 20 CHED CCC1(CC)CCCN(c2cnccc2C#N)CC1 344843064 AKODWWIMWTVSLJ-UHFFFAOYSA-N 257.381 3.750 30 20 CHED CC(C)(NCc1ccc(C#N)cc1F)c1cccc(F)c1 178791458 OHXIROVPQSYMGR-UHFFFAOYSA-N 286.325 3.861 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 116804899 PFAZCDYZMMMUSP-KEYYUXOJSA-N 276.424 3.791 30 20 CHED CCCCCCC[C@H](C)NCC1CCN(C)CC1 105926482 OVSHKUYZSGZFSB-HNNXBMFYSA-N 254.462 3.667 30 20 CHED CCOc1cc(/C=C/C(=O)c2occc2C)ccc1OC 119004840 RLGHHEWQCOKWBW-FNORWQNLSA-N 286.327 3.891 30 20 CHED C[C@H](C(=O)Oc1ccc(C#N)cc1)c1ccc(Cl)s1 175501133 BQDMFWYYNQAUQF-VIFPVBQESA-N 291.759 3.982 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1C(=O)c1cccs1 116856330 LEZFDJJWDUEJCY-GFCCVEGCSA-N 299.395 3.674 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1sccc1C#N 52027891 BVGGMUKPBZQZLZ-LLVKDONJSA-N 264.394 3.564 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccccc1 178740842 UIBXOSDXLMTWJI-OAHLLOKOSA-N 296.370 3.989 30 20 CHED N#Cc1cccc(OCCN2CCC[C@H]2c2ccccc2)c1 51180659 SPEDUONJEJLNCQ-IBGZPJMESA-N 292.382 3.774 30 20 CHED C=CCOCCCC(=O)Nc1ccc(Cl)cc1Cl 173025416 PLXQFZHKJAGLGK-UHFFFAOYSA-N 288.174 3.915 30 20 CHED CCN(CC)c1ccc(CNCC(C)(C)CCC#N)cc1 174280402 RJCZFAWVVZOZST-UHFFFAOYSA-N 287.451 3.952 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1nnc(C)c(C)c1C#N 302231069 RWXMDOFCIJMYGP-CQSZACIVSA-N 280.375 3.755 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(C#N)cc1 68709060 UARGEEURANRTLT-IRXDYDNUSA-N 284.403 3.576 30 20 CHED CCCC[C@@H](CC)CC(=O)N[C@@](C)(C#N)C(C)C 117247468 YDJDGZFXOQULOU-HIFRSBDPSA-N 252.402 3.647 30 20 CHED CN(Cc1cccc(Cl)c1)c1c(C#N)cccc1C#N 302490503 YZNWTDAPBPGPBS-UHFFFAOYSA-N 281.746 3.720 30 20 CHED C=CCCCSCCC(=O)Nc1cccc(F)c1 117944618 NVHOWRLWMJWBIQ-UHFFFAOYSA-N 267.369 3.854 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2cccc(C#N)c2)c1C 115284715 DIBIPBCDRRYYFS-CQSZACIVSA-N 278.355 3.666 30 20 CHED CC[C@H](OC(=O)COc1ccccc1C#N)c1ccccc1 113464768 WUDAJFJOYYRCQD-INIZCTEOSA-N 295.338 3.632 30 20 CHED CC(C)(C#N)CCN1CCC(OC2CCCCC2)CC1 119609903 DAKONTOCQHTQQB-UHFFFAOYSA-N 278.440 3.740 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 68824647 OEGVDJUNDIGVRQ-YVEFUNNKSA-N 292.338 3.945 30 20 CHED C=C[C@@H](C)Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1 301616229 VSHFZCLSVKHCBW-SECBINFHSA-N 294.280 3.544 30 20 CHED C=CCCCSc1nnc(-c2ccco2)n1CC=C 117549998 LENRLFVCTRCCMY-UHFFFAOYSA-N 275.377 3.782 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc(Cl)cc2Cl)C1 179863304 UUBVXSWSJLXDPX-WPRPVWTQSA-N 284.142 3.842 30 20 CHED CCCCOc1ncccc1CNc1ccc(C#N)cc1 301132502 WWFPJXWVVHWXFI-UHFFFAOYSA-N 281.359 3.744 30 20 CHED Cc1cc(CN(C2CCC2)C2CCC2)ccc1C#N 429154703 LTQQCZWABUFBBA-UHFFFAOYSA-N 254.377 3.774 30 20 CHED C=C(C)CN(C)C(=O)c1cc(C)c(Br)cc1C 180479752 GPTUJATZADQGMR-UHFFFAOYSA-N 296.208 3.714 30 20 CHED Cc1nc(CSCc2cc(F)ccc2C#N)cs1 125506551 ZHHTZTFQSULKBS-UHFFFAOYSA-N 278.377 3.896 30 20 CHED CC[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(F)cc1F 126024974 YDFVPAJSXULJSG-CQSZACIVSA-N 292.329 3.616 30 20 CHED C=C(C)CN(C)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 181254150 QVXOIZISYLRDPU-AWEZNQCLSA-N 285.391 3.922 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](C)c2ccsc2)s1 78082888 YCMDIVRXXHHFKS-SECBINFHSA-N 290.413 3.986 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc2ccccc12 180018039 IXJMHIDZHWFKPG-UHFFFAOYSA-N 254.333 3.880 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3c(C)cccn23)s1 125315759 RDNHFLHVCRHYBT-VOTSOKGWSA-N 282.368 3.909 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1C)c1cccs1 509573046 SOFPOCBUKHUVSI-CQSZACIVSA-N 284.384 3.809 30 20 CHED COc1cc(C#N)ccc1OCc1ccc2c(c1)CCC2 70498902 GDOGRUAACLPNPC-UHFFFAOYSA-N 279.339 3.635 30 20 CHED CC(C)C[C@H](OC(=O)c1cccc(C#N)c1)c1ccccn1 125446292 PCPLVHRIOOEGIJ-KRWDZBQOSA-N 294.354 3.897 30 20 CHED N#Cc1ccc(NCCc2ccccc2)cc1Cl 36964011 ZDZCSMWMIQYCQU-UHFFFAOYSA-N 256.736 3.866 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(C)c1ccccc1C#N 410571937 DHXOHPMSAYTNBO-ZFWWWQNUSA-N 270.376 3.737 30 20 CHED C[C@H](SCC(=O)OC(C)(C)C)c1cccc(C#N)c1 189881406 JEAQIYWFKBTDEG-NSHDSACASA-N 277.389 3.694 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2 410839402 CCHNMJHKHNUAJE-KSSFIOAISA-N 288.435 3.888 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(F)cc1Cl 79813973 GLWUIEMYTPLDDM-UHFFFAOYSA-N 270.735 3.909 30 20 CHED COc1ccc([C@H](C)CCNc2ncccc2C#N)cc1 78359681 VYHHWUFHFOGGRG-CYBMUJFWSA-N 281.359 3.568 30 20 CHED C[C@H]1CCCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 185807625 KZSYUYSZCRTMLR-NSHDSACASA-N 291.782 3.866 30 20 CHED C[C@]1(C(=O)Nc2ccc(Cl)c(C#N)c2)CC=CCC1 448642228 NWMHUWXIPFOOHQ-HNNXBMFYSA-N 274.751 3.897 30 20 CHED C[C@H]1CC[C@H](CC(=O)N(CCC#N)CC(C)(C)C)C1 128827847 UITDMWIGLUPISF-KBPBESRZSA-N 264.413 3.601 30 20 CHED N#Cc1ccc(NC(=O)CC2CC(F)(F)C2)c(Cl)c1 334522897 ZCWUAVNQOJEYSL-UHFFFAOYSA-N 284.693 3.586 30 20 CHED COc1cc(CSCc2ccc(CC#N)cc2)ccn1 419649429 SYFZRIVQVQESBH-UHFFFAOYSA-N 284.384 3.590 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCc2ccccc2C1 187927796 CHAAMTQBTFYCCI-AEFFLSMTSA-N 271.404 3.605 30 20 CHED CCn1cc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cn1 181578301 UOFPFWJLCKKLPT-PBHICJAKSA-N 282.391 3.599 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cncnc1C1CC1 410474794 YLWHSLJKEDRAJY-UHFFFAOYSA-N 299.418 3.563 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC1(C2CC2)CC1 123984175 XULVOEYUWXTEIL-UHFFFAOYSA-N 290.432 3.636 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2)ccc1C 78099264 JDCQDEJHMKYYRW-ZHACJKMWSA-N 252.313 3.900 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1ccc(F)cc1 410142748 ZOCZTACHBNQLLN-SWLSCSKDSA-N 263.356 3.790 30 20 CHED CC#CCCCC(=O)NCCCCCc1ccccc1 185442776 PKPUQSKPRQAWLO-UHFFFAOYSA-N 271.404 3.709 30 20 CHED C[C@@H](CCC(=O)NCc1cccc(C#N)c1)c1ccccc1 137165247 UFCBLMXPFNSATQ-HNNXBMFYSA-N 292.382 3.758 30 20 CHED CC(C)CNC(=O)Nc1cccc(C#Cc2cccs2)c1 43996577 CCWCUXYTKXTBBC-UHFFFAOYSA-N 298.411 3.925 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)C(C)(F)F 412839541 LVLQNVVQWHHUSR-GXTWGEPZSA-N 281.346 3.581 30 20 CHED CCCC[C@H](CC)/C(O)=N/c1nc(C(F)(F)F)n[nH]1 72673296 WKDJVSYJEBBONU-ZETCQYMHSA-N 278.278 3.628 30 20 CHED C[C@@H](O)C[C@@H]1CCCCCN1CCC1(C#N)CCCCC1 411715841 DJBHVUQEMRMWGL-SJORKVTESA-N 292.467 3.866 30 20 CHED N#Cc1ccc(OCCCN2CCC[C@@H]3CCC[C@H]32)cc1 228013001 IJXMWAUMFIDJMP-FUHWJXTLSA-N 284.403 3.592 30 20 CHED C=CCCC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 134172072 NHWFVWOOZLQQPB-CQSZACIVSA-N 259.393 3.823 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1 610504914 HWLUMBRPPGQPBB-QGZVFWFLSA-N 266.319 3.644 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1ccc(C2CC2)cc1 419333706 FYVBHRZYTHGSRL-UONOGXRCSA-N 267.376 3.658 30 20 CHED Cc1ccc(CNc2ccc(C#N)cc2C(F)(F)F)cn1 133393167 NFTZFMVCFLARMH-UHFFFAOYSA-N 291.276 3.893 30 20 CHED OC(=Nc1cccc2ocnc12)[C@H]1CCCSC1 329790961 DDOQXEGCANAHBN-VIFPVBQESA-N 262.334 3.559 30 20 CHED C[C@@H]1CC[C@H](NCc2cc(C#N)n(C)c2)c2ccccc21 191472869 ULSZBZHRWZWRGN-ACJLOTCBSA-N 279.387 3.625 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@H](C)C[C@@H](C)C1 500848106 AVMGOKBTFLPIBN-LSDHHAIUSA-N 287.403 3.760 30 20 CHED CC[C@H]1c2ccsc2CCN1C(=O)[C@@](C)(C#N)CC 288570813 KGAJSQUHSARAAY-SWLSCSKDSA-N 276.405 3.524 30 20 CHED C[C@H](/N=C(/O)C1CCCC1)/C(O)=N/C[C@@H]1CCCCS1 328831703 VMAVOVRJZBPYLE-AAEUAGOBSA-N 298.452 3.764 30 20 CHED C=CCN(CC=C)Cc1coc(-c2ccc(OC)cc2)n1 45914490 RORNIEUAOFAUQD-UHFFFAOYSA-N 284.359 3.524 30 20 CHED CC(C)=CCC[C@H](C)CCN(CCC#N)CCC#N 193308203 GMKNUFYGEFXUDK-INIZCTEOSA-N 261.413 3.888 30 20 CHED C=CCCCN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 192037954 KRBLEHKEENMQEV-CABCVRRESA-N 265.784 3.726 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCC1(F)F 424854724 RZJWMTUCXQCOJF-LLVKDONJSA-N 259.340 3.530 30 20 CHED C=C(C)CNC(=O)N[C@H](C)CC(C)(C)c1ccccc1 428490350 YJQUKGPFXSHRTK-CQSZACIVSA-N 274.408 3.618 30 20 CHED COCCC1(CN[C@H]2CCC[C@H](C#N)C2)CCCCC1 193308938 ITYJKUMFMKIFTP-HOTGVXAUSA-N 278.440 3.645 30 20 CHED CCOc1ccccc1[C@H](CC)NCc1cc(C#N)n(C)c1 190921213 VJFLPPKKXRICJV-KRWDZBQOSA-N 297.402 3.536 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cccc3c2CCCC3)n1 519583285 LDXQZWAXXVHUMR-OAHLLOKOSA-N 296.395 3.820 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2ccccc2)CC1 336238445 UVGRXSPWIQCVDQ-UHFFFAOYSA-N 257.377 3.605 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)s1 335087869 YMUVJLXROJUIGI-GFCCVEGCSA-N 284.384 3.761 30 20 CHED COC1(C/N=C(/O)c2ccoc2Cl)CCC(C)CC1 331049347 KKPRDNKGDFGCGS-UHFFFAOYSA-N 285.771 3.833 30 20 CHED N#Cc1ccc(SCc2ncccc2C(F)(F)F)nc1 428053478 KICBTLLWQMXUSL-UHFFFAOYSA-N 295.289 3.659 30 20 CHED COc1cc(OCc2cnc3ccccc3c2)ccc1C#N 337239638 ZUAMFDDAXIBSOZ-UHFFFAOYSA-N 290.322 3.694 30 20 CHED C=CCC[C@H](C(=O)NC[C@H]1CC1(C)C)c1ccccc1 426835578 RQIZGFMQXLKHGD-CVEARBPZSA-N 271.404 3.899 30 20 CHED Cc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 237701517 COVAKPKUVWKDPO-HNNXBMFYSA-N 280.371 3.576 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)c1 510643375 GAYMEZCEMXLZJU-ZIAGYGMSSA-N 288.391 3.952 30 20 CHED Cc1c(/C(O)=N/[C@H](C)C[C@H](C)O)oc2c(C)cccc12 330798980 ICXOHUATNUGLIE-MNOVXSKESA-N 275.348 3.514 30 20 CHED Cc1cc(OCc2ncc(Cl)s2)ccc1C#N 434646881 DIMMIMIDTGWWMW-UHFFFAOYSA-N 264.737 3.556 30 20 CHED C[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl 439446048 XKJONOHAZZXVBY-PWSUYJOCSA-N 291.782 3.769 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](c1ccc(F)cc1)C(C)C 434621539 UKMZQMSPGIUCFS-SJORKVTESA-N 279.399 3.782 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)c1ccncc1F 338375923 XEQWSRIFDDYQSD-GFCCVEGCSA-N 263.360 3.591 30 20 CHED N#Cc1ccnc(NCCOc2ccc3ccccc3c2)c1 339968783 HDIIYJSMRRJJEM-UHFFFAOYSA-N 289.338 3.597 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc[nH]c2C(C)C)c1 335082027 AUNWGBJLDMMRSS-UHFFFAOYSA-N 267.332 3.571 30 20 CHED C=CCOCCCc1nc([C@H]2CCCC(C)(C)C2)no1 339791220 DEYMGFBSCFOZLP-ZDUSSCGKSA-N 278.396 3.889 30 20 CHED Fc1ccc(C#CCNc2cc(F)cc(F)c2)cc1 433435253 HEYGSLYLVZNTGE-UHFFFAOYSA-N 261.246 3.568 30 20 CHED CCCC1(C/N=C(/O)N[C@H]2CCOC3(CCC3)C2)CCC1 330196657 QQGPYVQYPCVGSR-AWEZNQCLSA-N 294.439 3.562 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(F)cn1 335715435 VEQTXYKYVZRLKS-SFHVURJKSA-N 295.361 3.650 30 20 CHED Cc1cc(CNCC2CCC(F)(F)CC2)ccc1C#N 500434191 QRHWDHDTPVQTOA-UHFFFAOYSA-N 278.346 3.782 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCCC(C)(C)CC2)cc1 93660285 IEPHCTUBJFMRRM-OAHLLOKOSA-N 286.419 3.990 30 20 CHED CCC(F)(F)C(C)(C)CNc1ncc2c(c1C#N)CCC2 528181688 AXPYVSWVUKMPFN-UHFFFAOYSA-N 293.361 3.925 30 20 CHED Cc1ccc(C[C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)s1 248748228 BMKVZTFYPTUWHB-IACUBPJLSA-N 262.422 3.660 30 20 CHED C[C@H](CCC#N)CNc1cccc(-c2noc(C3CC3)n2)c1 602495151 DEOZYMYKVOWJFV-GFCCVEGCSA-N 296.374 3.966 30 20 CHED COc1ccc(C[C@H](C)CN[C@H]2CCC[C@@H](C#N)C2)cc1 248838226 NJNZNPLAJFTQLZ-UAGQMJEPSA-N 286.419 3.546 30 20 CHED Cc1cccc(C)c1NC(=O)CSCCC(C)(C)C#N 342007763 QUQBGDTURQFBES-UHFFFAOYSA-N 290.432 3.915 30 20 CHED C=CCCc1nc(-c2ccc(O)c3ccccc23)no1 436613338 PXUVBTZOIMKYNK-UHFFFAOYSA-N 266.300 3.714 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H](C)C2CCC2)c1C#N 343504605 HAUUKQLEHHWADM-SNVBAGLBSA-N 263.772 3.540 30 20 CHED CC(C)CSCCCNc1cc(C#N)ccc1[N+](=O)[O-] 341637143 UOXYBESDAPPDSZ-UHFFFAOYSA-N 293.392 3.658 30 20 CHED Cc1ccc(C)c(/C=C2/CCc3nc(O)ccc3C2=O)c1 255078183 JNWIOVUWSFLVED-RAXLEYEMSA-N 279.339 3.617 30 20 CHED Cc1ncccc1/C=C1/CSc2ccc(F)cc2C1=O 255517234 VFBZNAYEEDVENV-GHXNOFRVSA-N 285.343 3.901 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc2c(c1)ncn2C 342760787 RGOKGMVISQPJTP-UHFFFAOYSA-N 298.434 3.725 30 20 CHED CCC(C#N)(CC)C(=O)NCc1ccc(Cl)c(C)c1 529026832 ABBOKAUOOFEUPH-UHFFFAOYSA-N 278.783 3.595 30 20 CHED C[C@H](c1cccc(O)c1)N(C)Cc1ccc(CC#N)cc1 342759232 XDMUPTGWIQIRTD-CQSZACIVSA-N 280.371 3.651 30 20 CHED COc1cccc(C[C@H](NCCCC#N)c2ccccc2)c1 342273108 URSIROAJCLCMNR-IBGZPJMESA-N 294.398 3.872 30 20 CHED C=CCOc1ccc(CN2CCCC23CCC3)cc1 446836465 REZDAQYLBVAMAR-UHFFFAOYSA-N 257.377 3.770 30 20 CHED Cc1cc(C(=O)NCC(C)(C)CCC#N)c2ccccc2n1 345913031 RLIIZVXQQISRLD-UHFFFAOYSA-N 295.386 3.603 30 20 CHED CC(C)c1ccc(CCCN=c2ccc(C#N)c[nH]2)cc1 609739106 BNTBSDXGHFOOGY-UHFFFAOYSA-N 279.387 3.543 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1C 606917505 XFOWTWNVYUZMDB-LSDHHAIUSA-N 266.429 3.953 30 20 CHED C[C@H]1CC(NC(=O)N[C@H](C)c2ccc(C#N)cc2)C[C@H](C)C1 523567340 XSKZQHRLXBLUJI-MGPQQGTHSA-N 299.418 3.743 30 20 CHED Cc1cccc(-c2nnc(SC[C@H](C#N)CCC#N)o2)c1 608861600 MHWHQVPPKMWWOJ-LBPRGKRZSA-N 298.371 3.581 30 20 CHED C=CCCC1(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 356354641 AZYNLGNGUGKCKK-INIZCTEOSA-N 286.419 3.684 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@H](C)c2ccco2)s1 602248184 XNNNOYASRPNAFF-JTQLQIEISA-N 288.372 3.907 30 20 CHED Cc1cc(C)c(CC(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(C)c1 538017315 BRKCVNRJKAJMHE-ORAYPTAESA-N 298.430 3.743 30 20 CHED CC(C)C1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 443524737 VSIMOUZSIFTOMU-UHFFFAOYSA-N 297.324 3.844 30 20 CHED N#Cc1ccc(CNCC2(Cc3ccc(F)cc3)CC2)cc1 539977617 MYJSEPNSSISZGU-UHFFFAOYSA-N 294.373 3.810 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(CNc3ccc(C#N)cc3)n2)C1 356225299 SBIDGEFRJPDYOC-TZMCWYRMSA-N 296.374 3.847 30 20 CHED Cc1ccc(C(C)(C)CN[C@@H]2CC[C@H](C#N)C2)cc1 442792600 QTTUVWZBAOKHJZ-GOEBONIOSA-N 256.393 3.555 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(CC)c(C)c1 539852648 DOXCABUJYMOQOK-OAHLLOKOSA-N 286.419 3.558 30 20 CHED Cc1ccc2oc(=N[C@@H]3CCc4cc(C#N)ccc43)[nH]c2c1 618694075 XNNQXIZSEHLIEO-OAHLLOKOSA-N 289.338 3.529 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)c1ccccc1C#N 269850026 PCOYSUGBRWUXLJ-KGLIPLIRSA-N 296.395 3.695 30 20 CHED C=CCN(CCC#N)C(=O)c1cc(Cl)ccc1Cl 359444462 HUTBFJBXQLSICA-UHFFFAOYSA-N 283.158 3.535 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 448817026 BNUNAMITBYCJOO-SQNIBIBYSA-N 296.414 3.731 30 20 CHED C=C(CC)CSCc1cnn(C)c1C(F)(F)F 358633809 FEASYSQLSYTNLM-UHFFFAOYSA-N 264.316 3.638 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21 538286834 QNBVOVQRYDVHBS-RUGDWHBFSA-N 298.430 3.616 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(c2ccncc2)CCCC1 443057210 JBHRVZYGWBRILX-KRWDZBQOSA-N 286.419 3.612 30 20 CHED CCCN(CC#N)Cc1cnc(C2CCCCC2)s1 534343074 QCGVKTZYYRMCSZ-UHFFFAOYSA-N 277.437 3.926 30 20 CHED C=CCCOCCCCC(=O)N(C)c1ccc(F)cc1 539397704 VCEXCKNQXXBTKR-UHFFFAOYSA-N 279.355 3.552 30 20 CHED Cc1ccsc1CCN=c1c(C#N)c[nH]c2ccccc12 538005397 WWDYSTHMMZGTJK-UHFFFAOYSA-N 293.395 3.553 30 20 CHED Cc1cc(O)c2nc(/C=C\c3cc(C#N)n(C)c3)ccc2c1 358660564 LBNRXHNQADFOIO-HYXAFXHYSA-N 289.338 3.629 30 20 CHED N#CCc1cccc(-c2nc(-c3ccc(Cl)o3)no2)c1 350921313 KEKKIIGTMNHFLD-UHFFFAOYSA-N 285.690 3.716 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C 354084339 QNIMGYXSUNGEKU-GXTWGEPZSA-N 283.375 3.531 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 617777785 WTPZKLXTVIVCLP-RYQLBKOJSA-N 283.415 3.913 30 20 CHED CC(C)(C)OCCCSc1ccc(C#N)cc1F 610684630 FELKUOVWYOKGSM-UHFFFAOYSA-N 267.369 3.995 30 20 CHED C=CC(C)(C)C(=O)Nc1cnn(C(CC)CC)c1CC 451365012 XEKRWSUITBPVNX-UHFFFAOYSA-N 277.412 3.957 30 20 CHED C=CC(C)(C)CNC(=O)C1CCC(C(F)(F)F)CC1 452777452 UZZSOGRUQUFQEG-UHFFFAOYSA-N 277.330 3.684 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 367867105 ARBUEFYHGBVBIQ-CABCVRRESA-N 296.414 3.856 30 20 CHED C=CCCCC[C@H](C)NCC1([C@@H](O)C(C)C)CC1 453176375 MPVMPRWIZUSJSQ-GJZGRUSLSA-N 253.430 3.508 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2cccc(CC#N)c2)C1 455924599 WGSZKEUMPMSMJD-HIFRSBDPSA-N 285.391 3.700 30 20 CHED N#CCC1(CNc2ncc(-c3ccccc3)s2)CC1 362358965 LVDYSKLVEQJAMG-UHFFFAOYSA-N 269.373 3.916 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCc3cc(F)ccc32)C1 617778300 CMHVRPAAEDFJHS-DYVFJYSZSA-N 287.378 3.670 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2cc(C)ccc2OC)CC1 457931070 AKELGMBQIJFWGP-CQSZACIVSA-N 287.403 3.927 30 20 CHED CC[C@H](C)c1noc(/C=C/c2cccc(C#N)c2)n1 273646177 CRLQGJGKUHCOHN-AEZGRPFRSA-N 253.305 3.625 30 20 CHED CCc1ccc(C(C)(C)CNC(=O)CC(C)(C)C#N)cc1 279036730 QIIAPKMTCMJQTJ-UHFFFAOYSA-N 286.419 3.583 30 20 CHED C=CCC1(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)CCCC1 450229902 DYDVNWIXKSVNDS-ZBFHGGJFSA-N 299.414 3.804 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(OC)c2)C1 617786044 SPQFUODETNWMQB-GJZGRUSLSA-N 287.403 3.613 30 20 CHED CC[C@H](NCc1ccnc(C)c1)c1ccc(C#N)cc1 453278993 DGJNBVHPLLQKIR-KRWDZBQOSA-N 265.360 3.503 30 20 CHED C#CC[C@H](NCc1cccc(OC)c1OC)c1ccccc1 270174184 IDCCSDRHUWDBRO-KRWDZBQOSA-N 295.382 3.558 30 20 CHED C=C(C)CCNC(=O)c1sc(-c2ccccc2)nc1C 452719286 BAGCMUIHPLJZPM-UHFFFAOYSA-N 286.400 3.815 30 20 CHED C=CCCOCCCCC(=O)N[C@]1(C)CCCC[C@@H]1C 457268738 SAOGSXZUAXHGDK-DOTOQJQBSA-N 281.440 3.834 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1nc2c(cc1C#N)CCC2 546882010 MMCGPWGZCMMZCD-NSHDSACASA-N 283.297 3.585 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccccc1)C(F)(F)F 545216442 CPAWCJGPXVHXRC-CQSZACIVSA-N 283.293 3.600 30 20 CHED C=CCC[C@H](NCCCNc1cccc(F)c1)C1CC1 544374791 FYHHCEDFENSWBL-KRWDZBQOSA-N 276.399 3.962 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2c2cccc(Cl)c2)c1 367514125 PWBHPPZKNJMCNG-HNNXBMFYSA-N 283.762 3.948 30 20 CHED C=CC[C@H](C)[C@H](C)NCC[C@H]1C[C@H](C)O[C@H](C)C1 549226272 WATFQXRSPOBTNB-QMHWVQJVSA-N 253.430 3.770 30 20 CHED C=CCC1(C(=O)NC[C@]2(C)CCCC[C@H]2O)CCCCC1 450088974 QQXKQEVPEXZLJP-WBVHZDCISA-N 293.451 3.570 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 366069769 YPHKATHLFKHSLO-VXIBKDFQSA-N 296.414 3.721 30 20 CHED C#CCCCC(=O)N(Cc1ccccc1F)CC(C)C 276997876 JIQYSDCWCPPHNK-UHFFFAOYSA-N 275.367 3.614 30 20 CHED C[C@H](c1ccco1)N(C(=O)c1ccc(CC#N)cc1)C1CC1 270303575 SKJBMHGBCPHLBI-CYBMUJFWSA-N 294.354 3.711 30 20 CHED CC(C)(C1=CCCCC1)c1noc(CSCC#N)n1 278078808 NVACZEIJILKUPT-UHFFFAOYSA-N 277.393 3.604 30 20 CHED CCOC(=O)Nc1ccc(OCCC(C)(C)C#N)cc1 272088055 KOFGQTPNXTZJOZ-UHFFFAOYSA-N 276.336 3.574 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccc(CCCCC)cc1 468935178 MBMOPWJJWZLKAG-QGZVFWFLSA-N 275.392 3.685 30 20 CHED CC#CCCN(C)CCc1cccc2ccccc12 462323826 VYFZJINJTKAZFM-UHFFFAOYSA-N 251.373 3.728 30 20 CHED C=CC[C@H](CC)NCc1ccc(OCC)c(F)c1 466405889 UMLYFKPNQROUJX-ZDUSSCGKSA-N 251.345 3.669 30 20 CHED Cc1nc(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)ccc1C#N 288688843 UJAIGAUSLDOZLG-DOMZBBRYSA-N 299.418 3.549 30 20 CHED Cc1ccccc1OCCCNc1ccc(F)cc1C#N 462827547 VWYRSUIGESFWFG-UHFFFAOYSA-N 284.334 3.887 30 20 CHED Cc1cccc([C@H](C)CNC(=O)c2ccc(F)c(C#N)c2)c1 551581502 HEQJCAGWRSDNPR-CYBMUJFWSA-N 296.345 3.539 30 20 CHED COCC(C)(C)CCCNc1snc(Cl)c1C#N 288654476 YIGPTVGXKUYJOZ-UHFFFAOYSA-N 287.816 3.533 30 20 CHED CCCC(CCC)S[C@@H](C)C(=O)NC1(C#N)CCC1 468471279 URYREFVZZPBGNO-LBPRGKRZSA-N 282.453 3.639 30 20 CHED C=CCCN(C)C(=O)c1cc(C)c(Cl)cc1C 281954271 SUXIWJCTLBSLRB-UHFFFAOYSA-N 251.757 3.605 30 20 CHED C[C@@H]1CC[C@]2(CCN(C(=O)[C@H](C)c3cccc(C#N)c3)C2)C1 462541013 XOERAYUFTSBKHS-CLCXKQKWSA-N 296.414 3.700 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCn2c(cc3ccccc32)C1 288605180 MWAPJGCVAXTBCT-IBGZPJMESA-N 296.414 3.976 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cccc(N2CCOC2=O)c1 281585857 LMCSQRMTNZWCLS-UKRRQHHQSA-N 288.391 3.649 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(OCc3cccnc3)c2)C1 559784176 VJSSKKCIWOXXJF-PBHICJAKSA-N 293.370 3.765 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(C)c(F)cc1Cl 287666657 XTIZCGDOMSHGNG-UHFFFAOYSA-N 283.734 3.555 30 20 CHED CCc1cnc(CNc2ccc(C#N)cc2C(F)(F)F)o1 281454798 LEHOFCJYHMEFSB-UHFFFAOYSA-N 295.264 3.740 30 20 CHED N#CCc1ccc(-c2nc(-c3ccc(F)cc3F)no2)cc1 551466336 XVHBLEQCOZTXBV-UHFFFAOYSA-N 297.264 3.748 30 20 CHED Cc1cccc2cc(C(=O)OC3(C#N)CCC3)sc12 808990101 BPTXEIPBTAJITC-UHFFFAOYSA-N 271.341 3.813 30 20 CHED Cc1cccc(/C=C/C(=O)c2cccc(C(=O)O)c2)c1 806559107 UXQMITTXAYIAET-CMDGGOBGSA-N 266.296 3.589 30 20 CHED N#Cc1ccc(SC2CC(OCc3ccccc3)C2)nc1 298449581 SGYYLLAVUICNQV-UHFFFAOYSA-N 296.395 3.793 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(C)(C)C 807882579 UEIFRQMNSSHFDS-FOGDFJRCSA-N 295.835 3.669 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2nncs2)cc1 298634498 NBFIBAYWAGNELR-UHFFFAOYSA-N 287.388 3.746 30 20 CHED Cc1nc(N2CCC[C@@H]2c2ccncc2)c(Cl)cc1C#N 290915645 GXJHQQZKRVUCEV-OAHLLOKOSA-N 298.777 3.652 30 20 CHED C#CC[C@@H](NC(=O)N1CC(C)(C)[C@@H]1C1CC1)c1ccccc1 292800237 CTXJIPZKORVHCZ-SJORKVTESA-N 296.414 3.581 30 20 CHED C=C(C)CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 479288025 XCWOYJIFDRZWIE-UHFFFAOYSA-N 279.383 3.931 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(CC)ccn2)CCCC1(C)C 470307291 JLZBGMBUIBKHOA-INIZCTEOSA-N 286.419 3.851 30 20 CHED C=CCN1CCC(N[C@H]2CCC[C@@H](CC(C)C)C2)CC1 474707251 IVMPJRZSAQBJEX-WMZOPIPTSA-N 278.484 3.831 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(-c2csc(C)n2)cc1 806176462 QAIUHAZRRAYGLR-ZDUSSCGKSA-N 299.399 3.652 30 20 CHED Cc1ncn(-c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)c1C 291235298 KTYYKRNQMVMECO-RDJZCZTQSA-N 294.402 3.983 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(C(C)C)[nH]n2)CCCC1(C)C 470302196 FMIYQWKKKVTFSO-OAHLLOKOSA-N 289.423 3.740 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 477186529 FCHGFVIZMDDDRM-HUUCEWRRSA-N 286.419 3.761 30 20 CHED C[C@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)CC[C@H]1C 560261076 GUOPRFFPYZECSY-KEYYUXOJSA-N 268.404 3.962 30 20 CHED Cc1csc(NC(=O)N(C)CC2CCCCC2)c1C#N 562443623 LHSRLTKLTRSRNA-UHFFFAOYSA-N 291.420 3.972 30 20 CHED Cn1cc(/C=C\C(=O)c2cccc(Cl)c2)c(C(F)F)n1 812239748 CXNBXSSBGUWEAH-WAYWQWQTSA-N 296.704 3.907 30 20 CHED CCC[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C 482416725 UUNOKIWRZRMQRL-CZUORRHYSA-N 272.392 3.808 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2ccc(C#N)s2)cc1 486857342 JTUDETPCEIXZFD-LLVKDONJSA-N 284.384 3.673 30 20 CHED C[C@@H]1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)[C@H](C)C1 567370229 GEESNFNPRRKTNO-COCCGSRQSA-N 268.404 3.960 30 20 CHED C#C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1)C(C)C 814389423 HSCIUOMEFNVPSE-IRXDYDNUSA-N 296.414 3.581 30 20 CHED CCCNN=C/C(C)=C\c1ccccc1OC(F)F 811638058 RGHLIPNRUIPJRE-SALNACHASA-N 268.307 3.677 30 20 CHED C#CCOc1ccccc1NCc1cccc(O)c1Cl 815135977 LXLGAJRENAUEDX-UHFFFAOYSA-N 287.746 3.670 30 20 CHED Cc1ccc(C(=O)Nc2nc(Cl)c(C#N)s2)cc1C 813369228 IJVOLAATJAFMQG-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C=CCCCCOC(=O)[C@H]1SCCc2ccccc21 811011880 PMVKHWZCGRNRML-HNNXBMFYSA-N 276.401 3.917 30 20 CHED C#C[C@@H](NC(=O)NCCCC1CC1)c1ccc(Cl)cc1 811882946 MRCVNHDLFOJHIM-OAHLLOKOSA-N 290.794 3.504 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCCCC(=O)C2)c1 813438816 CAHYEKAHCSMQIJ-MRXNPFEDSA-N 297.398 3.560 30 20 CHED C=CCCCC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 480011459 HBIXZKHJWZUATO-RDJZCZTQSA-N 271.404 3.822 30 20 CHED CC(=O)c1cc(C(=O)O[C@H](C#N)C2CCCCC2)cs1 815276998 MZNFTERMHMCQMQ-CYBMUJFWSA-N 291.372 3.580 30 20 CHED CC[C@H](C)CON=C(C)c1ccc(CN(C)C)cc1 814939634 XQHRBMYLLDFMGA-ZDUSSCGKSA-N 262.397 3.535 30 20 CHED C=CCC1(NC(=O)Nc2cnn(C(C)C)c2)CCCCC1 576235622 LIQWZFHEQXOQOJ-UHFFFAOYSA-N 290.411 3.865 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc2c(n1)CCC(C)(C)C2 488407328 CCEPTHGLNYOZCM-KRWDZBQOSA-N 287.407 3.532 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2ccccc21 488840302 OITDECIILTUFGG-NVXWUHKLSA-N 269.388 3.674 30 20 CHED FC(F)(F)CON=Cc1ncc(-c2ccccc2)s1 811645623 UFMLZJBXUMWWMU-UHFFFAOYSA-N 286.278 3.723 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1Cc1ccccc1C 815620190 KAKHBRWDCSYHCD-HNNXBMFYSA-N 293.357 3.740 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1ccccc1F 488874841 FMCOZQXYHRAPPY-UKRRQHHQSA-N 275.367 3.571 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)n(C(CC)CC)n1 489980199 QVBPWJAYYSBFJU-UHFFFAOYSA-N 291.439 3.885 30 20 CHED C=C(Br)CN(CC1CC1)C1CCCCC1 727930801 AFJXFTJPXJBMIQ-UHFFFAOYSA-N 272.230 3.940 30 20 CHED C=CCCCCSc1nnc(N(C(C)=O)C2CC2)s1 578217628 HRNYVNACZUHVAL-UHFFFAOYSA-N 297.449 3.502 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)NCc1cccc(C#N)c1 497653535 XAAMDUXLDILEJK-YOEHRIQHSA-N 299.418 3.574 30 20 CHED CCn1cc(C=NNC2CCCC2)c2ccccc21 727652226 WVNOWUYMELMKMR-UHFFFAOYSA-N 255.365 3.527 30 20 CHED CCCCCCCCNC(=O)[C@]1(C#N)CC12CCCC2 827322789 AAPRBHQLMAEHOD-QGZVFWFLSA-N 276.424 3.937 30 20 CHED Cc1nsc(NCc2ccccc2OCC2CC2)c1C#N 577640517 GXECUVPQOCQZOZ-UHFFFAOYSA-N 299.399 3.724 30 20 CHED C=CCN(Cc1ccc(C(=O)O)o1)CC1CCCCC1 570730626 YJQSMUMGEJVKPZ-UHFFFAOYSA-N 277.364 3.546 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)cc1O 490645196 BBXCDWRANTUWBV-UHFFFAOYSA-N 253.729 3.586 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1ccccc1)c1ccc(C)cc1 495061411 DAMUSWGFLWMWRX-XLIONFOSSA-N 295.426 3.859 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C\c1cccs1 729433361 PXKIXXLPTLJWBA-HJWRWDBZSA-N 290.432 3.940 30 20 CHED C#CCN(Cc1cc2ccccc2nc1O)C1CCCCC1 490672261 XXZMDYSQVPMEQC-UHFFFAOYSA-N 294.398 3.708 30 20 CHED N#CCCCCCC(=O)Nc1ccc(-c2cnco2)cc1 588887402 ZXJFVOFKBQVZHH-UHFFFAOYSA-N 283.331 3.754 30 20 CHED C=CCN(Cc1nccn1Cc1ccccc1)C(C)(C)C 661756913 XJKBKOJTLKETSJ-UHFFFAOYSA-N 283.419 3.718 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ncc(CCC)s2)C1 666582101 VSFGBARWAXPWRQ-LBPRGKRZSA-N 293.436 3.916 30 20 CHED C=C[C@H](CC)CC(=O)Nc1sc(CC)cc1C#N 902773664 IOLJNMXCVSHREE-SNVBAGLBSA-N 262.378 3.723 30 20 CHED C/C(Cl)=C\C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 907434869 AWTOAFAMOAOCHC-PKNBQFBNSA-N 282.815 3.744 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](CO)c1ccc(F)cc1F 668746582 QVFYBHFFTQKBRW-CJNGLKHVSA-N 283.362 3.723 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C#N)ccc1F 828276140 GPIPCPSVDSHKEP-BLLLJJGKSA-N 288.366 3.738 30 20 CHED C=CCCCc1nc(Cc2ccc(F)cc2C)no1 583479352 DZUSJVJTQDUTIA-UHFFFAOYSA-N 260.312 3.617 30 20 CHED Cc1cccc(C)c1CON=Cc1ccc(F)cc1 738288002 BLJOLSLBAQGAAY-UHFFFAOYSA-N 257.308 3.993 30 20 CHED C=CCCNC(=O)Nc1ccc(CCC(F)(F)F)cc1 666290643 QFSXVKLSPYHIMG-UHFFFAOYSA-N 286.297 3.879 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C(=O)O)c1cc(F)ccc1F 901637690 QCJWKBKXQHMYOO-ABAIWWIYSA-N 297.345 3.815 30 20 CHED C=C(Cl)CNC(=O)c1ccc(OCCCCC)cc1 736246267 UTCYVLQENXVPIR-UHFFFAOYSA-N 281.783 3.738 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(-c2nnco2)ccc1C 900224500 ZTDXUXMWJLBUHQ-UHFFFAOYSA-N 285.347 3.586 30 20 CHED C=CCOc1ccccc1C/N=C\c1cc(OC)ccc1O 731937856 OYPMIVBPGVLILJ-UYRXBGFRSA-N 297.354 3.585 30 20 CHED N#CCCNc1cccc(COCCOc2ccccc2)c1 584346536 OYJLRELCYIDDMM-UHFFFAOYSA-N 296.370 3.608 30 20 CHED CSc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839053807 FDQKNIYLJLXOHY-YPMHNXCESA-N 275.373 3.648 30 20 CHED CC[C@H](NCc1ccccc1COC)c1cccc(C#N)c1 902733169 OBIFBUZFHJLNRP-IBGZPJMESA-N 294.398 3.946 30 20 CHED C[C@@H](CC#N)OC(=O)c1cc2c(s1)-c1ccccc1CC2 733711754 IWLDERPGTMYCFO-NSHDSACASA-N 297.379 3.973 30 20 CHED CC[C@H](N[C@@H](C)C[C@H](O)c1ccco1)c1cccc(C#N)c1 902847196 DSTUYBMETDSLGP-JQFCIGGWSA-N 298.386 3.704 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2sccc2O)cc1 588590442 YHIRWDCVKMRDCR-IBHLPDHGSA-N 299.351 3.641 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cnc2ccsc2c1 903030794 GUZQHAGZXCERQG-NSHDSACASA-N 271.389 3.641 30 20 CHED CCc1ccc(/C=C\C(=O)c2cncc(F)c2)s1 737444357 QEZCDBFOVNUGOU-WAYWQWQTSA-N 261.321 3.741 30 20 CHED Fc1cnc(NN=C2CCCCCCC2)c(F)c1 835022882 UZMFXMVELLAKIM-UHFFFAOYSA-N 253.296 3.872 30 20 CHED COc1cccc(NN=C2C[C@@H](OCC(C)C)C2(C)C)c1 737427490 MRKFSLYWAKYXKC-MRXNPFEDSA-N 290.407 3.934 30 20 CHED Cc1cc(C)cc([C@@H](C)/N=C\c2cccc(O)c2O)c1 730434146 GWMXXYUXBFGMBS-CCOVPTLTSA-N 269.344 3.895 30 20 CHED C#CCO[C@@H](C)c1nc(C2CCCCCCC2)no1 834645297 AQLNQUYIEYZAMT-LBPRGKRZSA-N 262.353 3.608 30 20 CHED CC(=NNCc1ccc(C(F)(F)F)cc1)c1ccncc1 915971769 ANVDPEHQCUQPLG-UHFFFAOYSA-N 293.292 3.614 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccccc2OC(C)C)c1 917557903 IGOWFHUXAJGGDZ-UNOMPAQXSA-N 299.370 3.807 30 20 CHED C=C(C)CCN[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 386681515 IIJGPKBQRHPLEU-HUUCEWRRSA-N 296.455 3.626 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCC1 597153973 MINQQDSKSXOFTM-OAHLLOKOSA-N 276.811 3.945 30 20 CHED N#CCC1(CNc2cccc(CC(F)(F)F)c2)CC1 593931298 HUCHFVIZTRUFCY-UHFFFAOYSA-N 268.282 3.897 30 20 CHED CC1(C)OCC[C@H]1NN=C1CCC[C@H]1Cc1ccccc1 835017993 SYKBCFOHLWNKGL-DOTOQJQBSA-N 286.419 3.542 30 20 CHED C#CCCCNC(=O)N[C@H](c1ccc(CC)cc1)C(C)C 743691781 DGGPPEGKKVOCAY-KRWDZBQOSA-N 286.419 3.659 30 20 CHED C=C(C)CCOC(=O)c1ccc(OCC(C)C)c(OC)c1 744305185 RZAIMOOLIJDWPK-UHFFFAOYSA-N 292.375 3.853 30 20 CHED CSc1ccc(Cl)c(NC(=O)C2(C#N)CCC2)c1 597924640 JFMUNDWUFJGKLS-UHFFFAOYSA-N 280.780 3.694 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 741759976 PUORPVAECHGPLA-SNVBAGLBSA-N 272.270 3.530 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@H]1CC[C@@H](C)C1 748923172 XUKTYUANSWORHU-OCCSQVGLSA-N 271.360 3.736 30 20 CHED CCCCCCCOC(=O)[C@H](C)Oc1ccc(C#N)cc1 918492896 CSPFUZMYPXIGKC-AWEZNQCLSA-N 289.375 3.839 30 20 CHED CC(=NNc1cccnn1)[C@@H](C)c1nc2ccccc2s1 748787730 GOSWZWSYPPVHPC-SNVBAGLBSA-N 297.387 3.678 30 20 CHED COc1c(OCC2(CC#N)CC2)ccc2ccccc12 596291935 NCXWPNJVYGHYDD-UHFFFAOYSA-N 267.328 3.921 30 20 CHED C=CCc1cc(OCC)cc(CN2CCC(C)(C)C2)c1O 743391392 SUBLWGXIXSWONV-UHFFFAOYSA-N 289.419 3.751 30 20 CHED C=CCN(C(=O)N[C@@H](C)CCCCCC)C(C)C 918055877 JVPSYGVXOOYPLZ-AWEZNQCLSA-N 254.418 3.951 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cnn(C(C)C)c1 746676687 KCRMDONDZPOZFP-UHFFFAOYSA-N 278.306 3.578 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cccc(C2CC2)c1 847677921 AWDBMVVNWDVOGH-CQSZACIVSA-N 257.333 3.659 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)NCC(C)(C)CCC#N)C1 595628563 NPDRTTXKGNONNY-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED N#CC[C@@H]1CCCN(C/C=C/c2ccc(F)c(F)c2)C1 597176173 GDAWYGNAONBLMS-YOUVMVQBSA-N 276.330 3.604 30 20 CHED Cc1cc(C)c([C@H](C)NCC(C)(C)CC#N)c(O)c1 840787360 LBIHUYTYRVTXRE-ZDUSSCGKSA-N 260.381 3.600 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N(C2CC2)[C@@H](C)C#N)c1 598135525 XQQIFMNEXQZBBY-GJZGRUSLSA-N 298.430 3.892 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H]2CCCC[C@H]2OCC)c1 840711668 YMIZSHOVGNHYQJ-GIBKEPBISA-N 291.391 3.558 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCC[C@H](SC)C1 596316993 LEQWZAZQGGVFNO-OLZOCXBDSA-N 284.469 3.705 30 20 CHED C=C(C)CCOC(=O)Cn1ccc2ccc(Cl)cc21 744305201 SMXDEAQTMOPNAT-UHFFFAOYSA-N 277.751 3.804 30 20 CHED C#CCCCC(=O)Nc1ccc(Cl)c(SC)c1 840509705 KXGLETFECJGSLY-UHFFFAOYSA-N 267.781 3.804 30 20 CHED C[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1cccc(C#N)c1 592600456 WLEFMBHDUDHPNN-UHOFOFEASA-N 284.403 3.808 30 20 CHED CC(Cc1ccc(-c2ccccc2)cc1)=NN1CCOCC1 916592402 IHWGRBOGGUBZCK-UHFFFAOYSA-N 294.398 3.604 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N(C[C@@H](C)C#N)C2CC2)cc1C 597439213 UJOMLBKWPJSWPD-UYHISHBKSA-N 296.414 3.558 30 20 CHED N#CCCCCSc1nnc(-c2ccccc2F)o1 592947088 OUBNQRKQVLFSTG-UHFFFAOYSA-N 277.324 3.662 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(-c2cccc(F)c2)no1 684938864 IRZVDMWNVAWJLV-CYBMUJFWSA-N 288.322 3.565 30 20 CHED CC1(C)C[C@]1(C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597899476 ACEKIUZEUPETRR-HNAYVOBHSA-N 296.414 3.507 30 20 CHED N#CCC1(OC(=O)CCCc2ccc(F)cc2)CCC1 847704953 FQQHGPFTHDBSMH-UHFFFAOYSA-N 275.323 3.528 30 20 CHED CCCON=C(C)c1oc2cc(C)ccc2c1CC(=O)O 842550800 KRRQTZYYDCLZNS-UHFFFAOYSA-N 289.331 3.519 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1cc(OC)ccc1O 845971563 LMUUXSMNKQGFDQ-RWMBFGLXSA-N 263.381 3.652 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H](C)Oc1ccccc1F 925156744 LKXNSBOVPKFICW-STQMWFEESA-N 278.371 3.511 30 20 CHED CN(CCCCC1(C#N)CCC1)CC[C@H]1CCCCN1C 929722341 MFDNGJWGEJPOAI-QGZVFWFLSA-N 291.483 3.657 30 20 CHED Fc1cccc(F)c1NN=Cc1cccc2[nH]ccc12 755733154 NITORLVRPIYETR-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C#CCCOc1ccc(-c2nc3c(F)cccc3n2C)cc1 920423134 JYCWLMRCNHLPSR-UHFFFAOYSA-N 294.329 3.782 30 20 CHED COCC(C)(C)C=NNc1c(F)cccc1Cl 754974376 UMCCNHIKYGLAPE-UHFFFAOYSA-N 258.724 3.549 30 20 CHED C#CC[C@@H](N[C@H]1CCCc2scnc21)c1ccccc1 858382074 KJKMYVQQKDONFU-CABCVRRESA-N 282.412 3.875 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1CCCCCC1 851209834 KRRODYWOXQQMLP-LBPRGKRZSA-N 251.370 3.828 30 20 CHED COc1cccc(C=NNc2cc(C)ccn2)c1OC(C)C 755901898 YGFUKBDEJFGTQS-UHFFFAOYSA-N 299.374 3.632 30 20 CHED C[C@H](CC(C)(C)C#N)NCC[C@@]1(C)CC1(Cl)Cl 926532181 SDJWKKLLDHGGKD-PWSUYJOCSA-N 277.239 3.878 30 20 CHED COc1ccc(C)cc1/C=C1/COc2c(F)cccc2C1=O 921267097 XESQCKTUTAEKEK-LCYFTJDESA-N 298.313 3.801 30 20 CHED CCCCCC[C@H](C)CC(=O)N1CCC[C@H](C#N)C1 928224437 LIPFZQMNIXVVJZ-LSDHHAIUSA-N 264.413 3.745 30 20 CHED Fc1ccc(C=NOC/C=C/c2ccccc2)cc1 851980722 LDQCASPWEBARFI-PNQUFXSCSA-N 255.292 3.890 30 20 CHED CC(Cc1cccc(F)c1)=NNc1cccc(C(=O)O)c1 759179420 NLPUJPRMLPTSFZ-UHFFFAOYSA-N 286.306 3.554 30 20 CHED C#CCCCC(=O)O[C@@H](CC)c1cc(C)ccc1OC 758991655 ARTQLFBXMNQBQU-HNNXBMFYSA-N 274.360 3.801 30 20 CHED CCN(CC)C[C@H]1CCN(CCCCC2(C#N)CCC2)C1 929751256 YOYSIRJOMUKNTJ-QGZVFWFLSA-N 291.483 3.514 30 20 CHED CCCCCCCCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 754189561 QJEQRERHMNEIJG-OIISXLGYSA-N 293.451 3.811 30 20 CHED CCCCCCCNC(=O)N1Cc2ccccc2C1 858111331 BLSUYTDMDAZAQF-UHFFFAOYSA-N 260.381 3.682 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc3c(c2)CCO3)co1 752884263 FBQNIOLQKIXGEN-HWKANZROSA-N 283.327 3.629 30 20 CHED COc1ccc(NCCCC(C)(C)C#N)c(F)c1 871843159 JXFWNXHDHILCTH-UHFFFAOYSA-N 250.317 3.576 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC(C)(C)C1 851204949 BESBXVCFMPORAV-NWDGAFQWSA-N 251.370 3.684 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(F)cc2F)c1 759212788 NRPDWCQZDUDRJZ-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CC(C)(C)CN(CCC#N)c1c(F)cc([N+](=O)[O-])cc1F 759275241 ISJMZVHSFHTPDE-UHFFFAOYSA-N 297.305 3.639 30 20 CHED C=CCn1c(SCSC(C)C)nnc1-c1ccco1 863276768 OLEXPJOIDNIGMO-UHFFFAOYSA-N 295.433 3.915 30 20 CHED CCCCCCCNC(=O)C1(c2cccnc2)CCCC1 862356326 WIUIYXODKAVOMR-UHFFFAOYSA-N 288.435 3.980 30 20 CHED Cc1cccc(-c2n[nH]cc2CN(CCC#N)CC(C)C)c1 768153821 LDCITJCBIKXWMJ-UHFFFAOYSA-N 296.418 3.757 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C\c2cnn(C)c2)cc1 863197877 YFQDPZRKPDAEHO-PRFOUVDFSA-N 268.360 3.830 30 20 CHED C=C[C@H](CC(=O)N(OC)[C@@H](C)CC)c1ccccc1 764824783 GNWGCBMWBOSENU-UONOGXRCSA-N 261.365 3.535 30 20 CHED CC[C@@H](C)c1ccc(C(C)=NNc2ccncn2)cc1 863116499 RGRBICZTBWEYGG-GFCCVEGCSA-N 268.364 3.826 30 20 CHED N#CCCCC(=O)Nc1nc2c(F)ccc(Cl)c2s1 869820803 ZLZXGIWKYPVSJI-UHFFFAOYSA-N 297.742 3.721 30 20 CHED C#CCOc1ccccc1-c1noc(CC(C)(C)CC)n1 762000364 CPBRYVDTNIREDV-UHFFFAOYSA-N 284.359 3.727 30 20 CHED C#C[C@H](OC(=O)[C@@H]1CCC(F)(F)C1)c1ccc(C)cc1 860961171 ABPACUMGWPMWPG-KGLIPLIRSA-N 278.298 3.648 30 20 CHED CCOc1ccccc1C=NNCc1ccc(Cl)cc1 864027069 QPXUPQKMIZBFFV-UHFFFAOYSA-N 288.778 3.862 30 20 CHED C=CCC[C@H](CC)Nc1ccc2c(c1)C[C@@H](OC)C2 760885886 MNGFFJGDTHIEGR-RDJZCZTQSA-N 259.393 3.957 30 20 CHED C=CC[C@@H](N[C@H](C)c1ccc(C)o1)c1ccncc1 766020927 REFZYUATJROISQ-UKRRQHHQSA-N 256.349 3.951 30 20 CHED C=CCC1(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)CCCCC1 1117756684 ONLQWULJXFQIEU-CVEARBPZSA-N 291.435 3.541 30 20 CHED Cc1ccnc(CSCc2ccc(C#N)cc2F)c1 1116761916 UKDHRZFCYWQYJY-UHFFFAOYSA-N 272.348 3.834 30 20 CHED Cc1csc(C=NN[C@@H](Cc2ccccc2)C(C)C)n1 777449217 UELZVPAEOOICRY-HNNXBMFYSA-N 287.432 3.642 30 20 CHED CC(=NNc1ccccc1F)C1CCSCC1 777432309 NWYBKCAOXDWUMQ-UHFFFAOYSA-N 252.358 3.757 30 20 CHED C=C(C)CNc1cc(C)n(-c2ccccc2Cl)n1 776854315 DRGUHIFIBMUZMT-UHFFFAOYSA-N 261.756 3.822 30 20 CHED CC(C)(C)c1cc(NCC2(C#N)CCC2)nc(Cl)n1 872571970 BCMVMGPUCFFLAN-UHFFFAOYSA-N 278.787 3.533 30 20 CHED C[C@H](C#N)COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 770931195 SNQPWDBWXDKTTK-DQYPLSBCSA-N 279.339 3.646 30 20 CHED O=C1/C(=C/c2ccc(O)cc2)CCc2ccc(F)cc21 776192791 LKFHQRZLLCAIIE-UKTHLTGXSA-N 268.287 3.744 30 20 CHED COc1ccc2oc(C=NOCCC(F)(F)F)cc2c1 777456007 RCPPDYLSWKZICQ-UHFFFAOYSA-N 287.237 3.744 30 20 CHED N#C[C@H](OC(=O)Cc1ccc2c(c1)CCC2)C1CCCCC1 776368122 QJULBFKRIFVKGJ-SFHVURJKSA-N 297.398 3.733 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)cc1 772801948 JAIPRBBATMAHMN-HJWRWDBZSA-N 265.287 3.902 30 20 CHED C/C(=C\C(=O)N[C@]1(C#N)CCc2ccccc2C1)C(C)(C)C 770111302 GAPGKGMRFHHITN-FIIODCPWSA-N 296.414 3.546 30 20 CHED C=C1CCC(C(=O)N[C@@H](CC)CC(F)(F)F)CC1 889959197 CVTYQQQTPLIGLH-NSHDSACASA-N 263.303 3.580 30 20 CHED C#CCCCN[C@@H](C)C1(c2ccccc2)CCCC1 775847005 XOIWBGJHHXDDPK-INIZCTEOSA-N 255.405 3.890 30 20 CHED Cc1ccc(F)cc1C=NNCc1ccc(F)c(F)c1 777882953 MJTROQYMZNOBTN-UHFFFAOYSA-N 278.277 3.536 30 20 CHED Cc1ccc(C#N)cc1NCc1cnc(Cl)c(C)c1 779591183 XINPSQPFQVQHET-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@@H](C(F)(F)F)C1)c1ccccc1 888017123 GXWRHNLLPWOHSE-ZIAGYGMSSA-N 297.320 3.757 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@@H](C)CC#Cc1cccnc1 1123062775 VLYGYRUJUFPLFZ-YOEHRIQHSA-N 291.366 3.673 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1ccnc(F)c1 781125360 XMGTZBUNUYCTFC-UHFFFAOYSA-N 277.730 3.905 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1cccc(C)c1 782483722 SBBGPEOMHACOIU-YOEHRIQHSA-N 276.376 3.828 30 20 CHED C=CC[C@H](NC(=O)Cc1ccccc1CC)c1ccncc1 785589768 DAERTLRTMXDVIM-SFHVURJKSA-N 294.398 3.620 30 20 CHED C#CCNC(=O)[C@H](C)S[C@H](C)c1ccc(C(C)C)cc1 783906275 HOKQGSUGXWPNNF-KGLIPLIRSA-N 289.444 3.742 30 20 CHED C=C[C@H](C)OC(=O)c1c[nH]nc1-c1ccc(Cl)s1 781575615 AZHCLGSFZBBLNA-ZETCQYMHSA-N 282.752 3.523 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@H](C)CCC(C)(C)C 1123338276 ZQZWAUWQYZFZFT-CHWSQXEVSA-N 275.396 3.542 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1[C@@H](C)CCC 780653347 GDUYFNNUFGNDJQ-HOTGVXAUSA-N 263.425 3.997 30 20 CHED N#CC1(CC[S@@](=O)Cc2ccsc2)CCCCC1 899434000 QDSQQOXTMDORPG-GOSISDBHSA-N 281.446 3.861 30 20 CHED Cc1cc(C#N)nc(N2CCC(OC3CCCCC3)CC2)c1 892153686 RZZSROYEVKWODD-UHFFFAOYSA-N 299.418 3.580 30 20 CHED CCCCCCCCOCC(=O)N1CCC(CC#N)CC1 782056011 ORHQILKDYBADSB-UHFFFAOYSA-N 294.439 3.516 30 20 CHED N#Cc1nc(N[C@@H]2CCCc3cccnc32)sc1Cl 896412297 OZBCYEWMCSBABC-SECBINFHSA-N 290.779 3.553 30 20 CHED Cc1cc(CN[C@H](CCC#N)c2ccccc2)cnc1F 893194040 CGRPXNGJNSQLIB-MRXNPFEDSA-N 283.350 3.664 30 20 CHED C=C(C)COc1cccc(NCc2cnn(C)c2C2CC2)c1 892363911 IBUBYSAYXNFCFB-UHFFFAOYSA-N 297.402 3.865 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1ccnc(F)c1 794720450 ROOKDHAVMZYHII-SNAWJCMRSA-N 293.244 3.718 30 20 CHED COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2)ccc1C#N 799497288 MWWUAHJKONZAMZ-HWKANZROSA-N 299.276 3.741 30 20 CHED CCC(=NNc1ncncc1F)c1c(F)cccc1Cl 793211047 RMRYENPQERWAJR-UHFFFAOYSA-N 296.708 3.634 30 20 CHED C=CC[C@H](CC)NS(=O)(=O)/C=C\c1cccc(Cl)c1 798467705 IJOMEAFJIZCXIT-CMUBDUJZSA-N 299.823 3.585 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@](C)(c2ccccc2)C1 791066218 GTGVPGFFZJJNBV-HKUYNNGSSA-N 298.430 3.552 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)o1 794246480 LHRPJGBJAYHMGL-OCCSQVGLSA-N 288.391 3.734 30 20 CHED CSCCON=C[C@H](C)c1cccc(Cl)c1 794576924 KTLLCZIXFUVHPJ-JTQLQIEISA-N 257.786 3.809 30 20 CHED Cc1c(C(=O)OCCCCF)sc2ccc(C#N)cc12 796615761 QIEHYYJDHUGURR-UHFFFAOYSA-N 291.347 3.988 30 20 CHED CCOc1ccc(/C=N\C[C@H]2CCC(F)(F)C2)c(O)c1 797398753 QNLQOJSYPDAVLJ-TZQXVGBESA-N 283.318 3.645 30 20 CHED CC(C)[C@@H]1CCCC(=Nn2cc(Br)cn2)C1 794523967 MBLNAMUTKJQAIB-SNVBAGLBSA-N 284.201 3.696 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCc3ccc(Cl)cc32)o1 796835269 XOOGKIOQIDSVAK-CYBMUJFWSA-N 287.702 3.649 30 20 CHED CC(=NNc1ncccc1C)c1cc(C)sc1C 790185876 KGSXQRJXWANUBH-UHFFFAOYSA-N 259.378 3.904 30 20 CHED Cc1cc(C)c(NC(=O)NCC2(CC#N)CC2)c(Cl)c1 797566065 VJCCZBLSRPENSH-UHFFFAOYSA-N 291.782 3.772 30 20 CHED Fc1cc(F)cc(NN=C2CCCC23CCOCC3)c1 799876319 NHMCIJJIWPVQTM-UHFFFAOYSA-N 280.318 3.713 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C\c1ccc2ccccc2n1 798551384 RQRMDBRZKZBLSS-WIDZWVOGSA-N 280.371 3.719 30 20 CHED CCC1(CC)CCN(c2cc(C)c(C#N)cn2)CC1 1307098274 MLLQKUOWHWWEFG-UHFFFAOYSA-N 257.381 3.668 30 20 CHED Cc1cc(C)c(/C=C/CN2CC[C@@](F)(C#N)C2)c(C)c1 1308687428 BNWVCLLLTWQBIT-LAQIPUCWSA-N 272.367 3.563 30 20 CHED Cc1cc2ccccc2nc1NN=C[C@H](C#N)C(C)C 1319971510 YBJINHTVCMBNMG-AWEZNQCLSA-N 266.348 3.737 30 20 CHED C=C(C)CCN1CCC[C@H](CN2CCCC[C@H]2C)C1 509702518 ZQWJYLOWOXTUHD-SJORKVTESA-N 264.457 3.539 30 20 CHED CC(C)(C)c1ccc(Cc2noc(C3(C#N)CCC3)n2)cc1 1325448185 UWHJVXWBPXJALL-UHFFFAOYSA-N 295.386 3.903 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1cccnc1C)C2=O 1321552035 ZWCZEDVJEVNBPX-OQLLNIDSSA-N 279.339 3.666 30 20 CHED C[C@@H]1/C(=C\c2cccnc2N(C)C)C(=O)c2ccccc21 1327210704 JDXPLGCHMLBDLY-JASJWYONSA-N 278.355 3.531 30 20 CHED N#Cc1ccc(N2CCCC3(CCCCC3)CC2)cn1 302759073 JOBMHWHLDAORCT-UHFFFAOYSA-N 269.392 3.894 30 20 CHED CCc1ccc(Nc2nnc(C)c(C)c2C#N)cc1Cl 691235725 YXWMZEMSXLVSOU-UHFFFAOYSA-N 286.766 3.925 30 20 CHED COCC[C@@H](C)CNc1ccc(C(F)(F)F)c(C#N)c1 413485952 AJARPLXQFVFYJD-SNVBAGLBSA-N 286.297 3.662 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](OC)[C@H](C)C1 1324536935 QPPQQYPFRUJCKQ-CABCVRRESA-N 269.429 3.620 30 20 CHED C[C@H]1CCCC[C@@H]1OCc1nnc(-c2cccc(C#N)c2)o1 1322997885 XZGYNERFTWBTGN-WFASDCNBSA-N 297.358 3.704 30 20 CHED C=CCCCOC(=O)c1cc(Br)ccc1OC 745119701 BSNJGLGGTMLQQV-UHFFFAOYSA-N 299.164 3.581 30 20 CHED C=CCN(Cc1ncc(C(C)(C)C)o1)C(C)(C)C 661755494 RWWKVDOPPJSCQA-UHFFFAOYSA-N 250.386 3.759 30 20 CHED CC1(C)CC(CNc2cc(C#N)cnn2)CC(C)(C)C1 699458992 WYPIYTWWJFVGBV-UHFFFAOYSA-N 272.396 3.613 30 20 CHED C=CCCc1ccccc1NC(=O)NCCC1CSC1 1263643899 SVLHIHUUABCLJS-UHFFFAOYSA-N 290.432 3.680 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CC3(CC3)C2)s1 1343476226 DTLOTUPCZBWYBO-LLVKDONJSA-N 288.416 3.807 30 20 CHED C=C(CC(C)C)C(=O)Nc1cccc(-c2nccn2C)c1 1346200604 PQAOQIFNGAXPDK-UHFFFAOYSA-N 283.375 3.628 30 20 CHED Cc1nc(CN2CCCc3cc(C#N)ccc32)c(C)s1 1349765899 IERWLAUDKCKZGF-UHFFFAOYSA-N 283.400 3.584 30 20 CHED C=C(C)CCC(=O)Nc1ccnn1[C@@H](C)CC(C)C 1353687818 JMCIWEHMJUIKIC-ZDUSSCGKSA-N 263.385 3.785 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc(C(C)C)n2)c1 1436708080 YKYIKTPSDBGSGV-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C=CCN(CC=C)Cc1ccc(OC(F)F)c(F)c1 158120498 IYEYURAECDIMTP-UHFFFAOYSA-N 271.282 3.601 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)CC1CCC(C)(C)CC1 1517045539 DMPPUHVMYKKLON-AWEZNQCLSA-N 287.407 3.686 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccc3c(c1)CCC3)CC2 1459891496 YFRRRZGIUWAZSR-UHFFFAOYSA-N 274.367 3.610 30 20 CHED N#Cc1cccc(C#N)c1NC[C@@H]1CCC[C@H]1C1CC1 1458433262 SVICSKWIABCXGR-HOTGVXAUSA-N 265.360 3.668 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](C)C(C)(C)C2)c1 1466839308 FXIPCWVTZBFOLN-CYBMUJFWSA-N 285.391 3.767 30 20 CHED C=CCCCCCCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1 1602837928 JRJRCCSBCFUZMJ-AWEZNQCLSA-N 299.422 3.654 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2c(s1)CCCCC2 1536521519 MCMKOZAYNQLWGT-CYBMUJFWSA-N 290.432 3.781 30 20 CHED CCc1nc(C#N)cc(N[C@H]2c3ccccc3CC[C@@H]2C)n1 1612186666 QDLAXPYWOOBFNW-KPZWWZAWSA-N 292.386 3.646 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CC[C@H](c3cccc(F)c3)C2)n1 1559183018 FAFQKFJKDDETBR-ZFWWWQNUSA-N 296.349 3.544 30 20 CHED N#Cc1cnc(NCCc2csc3ccccc23)c(F)c1 1639295586 IWWHAIAUMMRYAM-UHFFFAOYSA-N 297.358 3.962 30 20 CHED Cc1cccc(N(C)C(=O)Nc2ccc(C#N)cc2)c1C 1562053077 QLNITWLUHCHGHZ-UHFFFAOYSA-N 279.343 3.843 30 20 CHED CCc1nc(C#N)cc(NC[C@@H](CC)c2ccccc2)n1 1642183462 PXHZSMGVDQYSAY-CYBMUJFWSA-N 280.375 3.516 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccccc1C1CC1 1646298671 FHLRWFHNYDFDPM-UHFFFAOYSA-N 274.367 3.998 30 20 CHED C[C@H]1c2ccc(F)cc2C[C@@H](C)N1CC1(CC#N)CC1 1652931150 AHVRANSKRATVPK-OLZOCXBDSA-N 272.367 3.827 30 20 CHED Cc1ccccc1SC[C@@H](C)CN1CCC[C@H](C#N)C1 1655542100 RZLFTFXTDRGPPD-GOEBONIOSA-N 288.460 3.959 30 20 CHED C[C@H](NC(=O)c1ccc(CF)cc1)c1cccc(C#N)c1 1584320465 MRFNZZFAMHWZIZ-LBPRGKRZSA-N 282.318 3.519 30 20 CHED CSc1nc(Oc2ccc(C#N)cc2)cc(C(F)F)n1 1651333149 ZEOWBHQFKNOZQR-UHFFFAOYSA-N 293.298 3.800 30 20 CHED COc1ccc(CNCC2(CC#N)CC2)cc1C(C)(C)C 1657883654 QZYKOFZJAJYCQX-UHFFFAOYSA-N 286.419 3.776 30 20 CHED N#Cc1cc(OCC2CCCC2)ccc1Br 1652242709 CUZZYSYABKOFGQ-UHFFFAOYSA-N 280.165 3.890 30 20 CHED C=CCC1(NC[C@H]2CCCC[C@H]2C(=O)O)CCCCC1 1588769148 NCPABYVYIFKGLY-HUUCEWRRSA-N 279.424 3.746 30 20 CHED CC(C)CC[C@H](Nc1cc(C#N)cnn1)C(C)(C)C 1650757073 IWGFCRRTLBTUNM-ZDUSSCGKSA-N 260.385 3.611 30 20 CHED CCC[C@@H](NC(=O)Nc1cccc(C#N)c1)C(C)(C)C 1667579688 QLKMEVLXUOVPSK-CQSZACIVSA-N 273.380 3.895 30 20 CHED C[C@H](COCC1CCCCC1)N[C@@H]1CCC[C@@H](C#N)C1 1665711515 AICCHAHCNOXWGV-DJIMGWMZSA-N 278.440 3.644 30 20 CHED CSc1cc(C)c(C(=O)Nc2cc(F)cc(C#N)c2)o1 1596856042 LPQCRRFECYOVHW-UHFFFAOYSA-N 290.319 3.573 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H]1C 1595652912 JDVYOIMMVXPMPR-MXWKQRLJSA-N 292.329 3.847 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@H](C(F)(F)F)C1 384978736 PVSFHMIKULWVGY-LLVKDONJSA-N 262.319 3.591 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](C#N)C2)CC1 1680353312 ZWKUYIAVWXBVIZ-BZUAXINKSA-N 291.439 3.536 30 20 CHED C=CCCCCOC(=O)/C=C\c1ccc(OC)c(OC)c1 204513866 DWZKYCBMBJBUJJ-LUAWRHEFSA-N 290.359 3.617 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccc3c(c2)OCCO3)c1 205777881 AGUFHBOXYGLWDU-ALCCZGGFSA-N 294.350 3.971 30 20 CHED CC(C)(C)SCCCC(=O)Nc1ccc(F)c(C#N)c1 152565998 SJJAFCRUVUIHDB-UHFFFAOYSA-N 294.395 3.948 30 20 CHED CCc1ccc2nc(-c3ccc(OCC#N)cc3)[nH]c2c1 155062869 FLHDFOCDQFMQLT-UHFFFAOYSA-N 277.327 3.695 30 20 CHED Cc1cccc2c1CCN2C(=O)c1ccc(C#N)c(Cl)c1 155587319 YOBNCMDRVXWIJC-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CCn1cc(/C=C2\C(=O)c3cccc(C)c3[C@H]2C)cn1 157598591 XVCZLOFBRINHLI-IYVNWDGISA-N 266.344 3.595 30 20 CHED CSc1cc(C(=O)Nc2sccc2C#N)ccc1F 155224842 OWXXCEDXKBIQSZ-UHFFFAOYSA-N 292.360 3.733 30 20 CHED CC[C@H](C)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 156565060 PAVPKZZUUVZLHD-JTQLQIEISA-N 264.756 3.611 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc2ccc(F)cc2s1 108912877 OSFKUMBYBWXJBW-JTQLQIEISA-N 290.363 3.662 30 20 CHED Cc1cccc(C)c1C(=O)Nc1ccc(CC#N)cc1 224335399 FSWWBVCSDBDPML-UHFFFAOYSA-N 264.328 3.622 30 20 CHED Cc1cccc(C(=O)N[C@H](C#N)C2CCCCC2)c1C 40360016 JGFLBDIFXNYMCC-MRXNPFEDSA-N 270.376 3.506 30 20 CHED CCC1(C(=O)Nc2ccc(C#N)c(F)c2)CCCC1 307964268 PQYMFRNSYVVROW-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1ccc(C#N)c(F)c1 404250629 KGCSPCXYTSGPQZ-UHFFFAOYSA-N 288.753 3.983 30 20 CHED N#Cc1ccc(NCCC(F)F)cc1C(F)(F)F 311101862 PYXOZOHPFSRJOH-UHFFFAOYSA-N 264.197 3.644 30 20 CHED CC[C@@H](C)[C@H](/C(O)=N/c1nc(C)n[nH]1)c1ccccc1 83683135 URNUANJQFONHRJ-MFKMUULPSA-N 272.352 3.531 30 20 CHED C=C(CC)CNC(=O)N(CCC)Cc1ccccc1 455559345 NUGFRYZAZSEUNO-UHFFFAOYSA-N 260.381 3.574 30 20 CHED CC(C)[C@H]1CCC[C@@H](NCc2cc(C#N)n(C)c2)CC1 480266569 PKWUKDLTBKGVRI-JKSUJKDBSA-N 273.424 3.591 30 20 CHED C=CCCOC(=O)CCSc1ccc(Cl)cc1 729073401 XKDUXWNEROOXPH-UHFFFAOYSA-N 270.781 3.942 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 397676952 KWOOUAVKLWIHQD-JTQLQIEISA-N 297.185 3.759 30 20 CHED CC(C)c1ccccc1NC(=O)COc1ccccc1C#N 3445487 VGROFMWPNHJICW-UHFFFAOYSA-N 294.354 3.699 30 20 CHED CSc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 7398004 FUBNGVWIUYYHGB-UHFFFAOYSA-N 268.341 3.532 30 20 CHED C=C(Cl)CN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 247364910 HLLICHYNPFJCQZ-ZIAGYGMSSA-N 283.799 3.700 30 20 CHED C=CC1CCN(C(=O)Cc2coc3cc(C)ccc23)CC1 110360922 GTRWWFYSVGJIAJ-UHFFFAOYSA-N 283.371 3.708 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC(C)C)cc1F 119762593 LPEBSVMULIBQND-UHFFFAOYSA-N 277.339 3.745 30 20 CHED C=CCN(Cc1noc(CC)n1)Cc1ccc(Cl)s1 54315724 NNVDUFIYXJWYQY-UHFFFAOYSA-N 297.811 3.535 30 20 CHED CCc1ccc(CN(C)CCOc2ccc(C#N)cc2)cc1 58876566 KNOXCMJTFGQPMV-UHFFFAOYSA-N 294.398 3.631 30 20 CHED COC(=O)CC[C@@H](/N=C/c1ccccc1O)c1ccccc1 105935610 NITORFUEXKCJPM-CXDFQFJYSA-N 297.354 3.506 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)OCC 112010713 CZPFVWGVKOFZMT-OAHLLOKOSA-N 297.439 3.681 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(C#N)s2)c1 176399429 MAKIGARNVAJYTN-BQYQJAHWSA-N 269.325 3.524 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C(C)=O)cc2)c1 110290295 WQSGXWRWZPLXTI-UHFFFAOYSA-N 291.350 3.537 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(F)cc2C#N)C1 408402481 IJZSMNPPHOQJOF-NWDGAFQWSA-N 289.354 3.740 30 20 CHED COc1ccc(C(=O)/C=C/C2=Cc3ccccc3OC2)cc1 60330721 XCVDMVGUCKZDFJ-IZZDOVSWSA-N 292.334 3.910 30 20 CHED C=CCCCS[C@H](C)C(=O)NCc1ccc(C)cc1 117944449 ZIGPPUZGLJCTDY-CQSZACIVSA-N 277.433 3.699 30 20 CHED CCc1ccccc1CNC(=O)[C@H](CC#N)c1ccccc1 1435242697 WRYJDTOINDFWDF-GOSISDBHSA-N 292.382 3.563 30 20 CHED C[C@@H]1CN(C(=O)NCCCCC#N)CC[C@H]1c1ccccc1 176390526 BGKDRUBHPXUBOL-NVXWUHKLSA-N 299.418 3.515 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1355925772 GEQIGVCNOBSUKP-PVUWLOKVSA-N 271.360 3.845 30 20 CHED C#CCCCCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 119995357 ABCYJEDUPUXJLY-UHFFFAOYSA-N 295.386 3.621 30 20 CHED N#Cc1ccc(Nc2ccc(CCC(F)(F)F)cc2)nn1 301978901 XATVKJRILVDURP-UHFFFAOYSA-N 292.264 3.587 30 20 CHED CC(C)COc1cccc(Nc2cccc(C#N)n2)c1 301823087 HPKPQQPWQDFXHY-UHFFFAOYSA-N 267.332 3.732 30 20 CHED CC(=O)c1ccc(C#N)c(NCCOc2cccc(C)c2)c1 302126002 WKEWEHZTEZBTFL-UHFFFAOYSA-N 294.354 3.560 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 67799926 AWMVTZKHNSLVLG-ZIAGYGMSSA-N 272.392 3.808 30 20 CHED CN(Cc1ccc(F)cc1C#N)[C@H]1CCc2ccccc21 171375659 IIDHRNUEVIACRA-SFHVURJKSA-N 280.346 3.817 30 20 CHED C=CCOc1cccc(NC(=O)N(CCC)C2CC2)c1 171380356 KXCMNLSTEWDZHR-UHFFFAOYSA-N 274.364 3.658 30 20 CHED CCCOCc1ccccc1CNCc1ccc(C#N)cc1 69747425 GANLPZVQTZHJDE-UHFFFAOYSA-N 294.398 3.775 30 20 CHED CCC1(C(=O)Nc2ccc(C#N)cc2Cl)CCC1 430371084 BODKGDXMYUAKIP-UHFFFAOYSA-N 262.740 3.730 30 20 CHED CO[C@H](C)CCC(=O)Nc1cc(C(C)(C)C)sc1C#N 181784506 MTIHJXOPZYLHJW-SNVBAGLBSA-N 294.420 3.671 30 20 CHED C[C@@H](CCC#N)Sc1ccc(C#N)cc1Cl 188324051 IKAATCQRIQIUNT-VIFPVBQESA-N 250.754 3.996 30 20 CHED C=CC1CCN(C(=O)c2ccc(Cl)c(C)c2)CC1 129506021 MGYKTNWZVQMMEK-UHFFFAOYSA-N 263.768 3.687 30 20 CHED CC[C@@H](C#N)Sc1nnc(NC2CCCCC2)s1 127097248 YNZLWJVIQYBCCE-JTQLQIEISA-N 282.438 3.677 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1ccc2c(c1)OCO2 212579834 NPLLRJQZNKBWJR-WAYWQWQTSA-N 288.249 3.590 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1c(F)cccc1OC 186164141 YDPLRVJXKXCEEG-NSHDSACASA-N 280.343 3.701 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(C)cccc1Cl 186307411 MCWNWDKFAXKKHF-SNVBAGLBSA-N 252.745 3.735 30 20 CHED C[C@@H](c1ccccn1)N(C)Cc1ccc(O[C@H](C)C#N)cc1 183678580 FMZBMVLQVAQFDO-CABCVRRESA-N 295.386 3.565 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc(-n2cncn2)cc1 181900123 LKNXLESARUCQJI-HUUCEWRRSA-N 284.407 3.663 30 20 CHED Cc1occc1SCCOc1cccc(C#N)c1 181296861 UOSNYDHQLURLDF-UHFFFAOYSA-N 259.330 3.631 30 20 CHED CC1(C)CCCN(Cc2ccccc2Cl)[C@@H]1C#N 444739092 ZYTDQXBWONZZBS-CQSZACIVSA-N 262.784 3.854 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 33474164 PNQARKWBQSREIN-YWEYNIOJSA-N 283.283 3.505 30 20 CHED CC(C)(CNc1cc(Cl)ccc1C#N)c1cccnc1 413583258 HPWMRLJIBDKSFF-UHFFFAOYSA-N 285.778 3.996 30 20 CHED Cc1cc(Cl)c(C(=O)NCc2cccc(C#N)c2)cc1C 180433939 UIEKDNFDPLQPSS-UHFFFAOYSA-N 298.773 3.759 30 20 CHED CCc1nnc(Nc2cc(C)cc(C)c2)c(C#N)c1CC 124887908 RWAWJMMSMHZMSC-UHFFFAOYSA-N 280.375 3.834 30 20 CHED Cc1ccc(C#N)c(N2CCC(C)(c3ccccc3)CC2)n1 500293422 SOBQSJKUQSYMBC-UHFFFAOYSA-N 291.398 3.820 30 20 CHED Cc1ccc2cc(C(=O)Nc3cccc(C#N)c3)ccc2n1 120510911 WSXYNMRHXLTBHK-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412419999 HJGZZHWUZLMORY-VBNZEHGJSA-N 284.403 3.603 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1ccc(-n2cccn2)cc1 180821618 NOTRNTQFIKXSRK-HNNXBMFYSA-N 296.418 3.853 30 20 CHED CC#CCCCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 186098581 GUZQGEZTQSDRGR-UHFFFAOYSA-N 291.301 3.633 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1csc(CC)n1 180760524 DQXXDLKZYIYBMY-NWDGAFQWSA-N 295.452 3.811 30 20 CHED C=CCC[C@H](NC(=O)Nc1ccon1)c1ccccc1 183594573 GYRJLFHJQUYSPL-ZDUSSCGKSA-N 271.320 3.504 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ccn(C(F)F)n1 414541062 VUPDJTMNPDOIFQ-CQSZACIVSA-N 291.345 3.555 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc2cc(C)ccc2nc1C 410828591 OBZINJDRIUDCEG-HNNXBMFYSA-N 295.386 3.616 30 20 CHED C[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1Cl 70158613 XZVRIZRZMRKCDI-LBPRGKRZSA-N 298.773 3.632 30 20 CHED CSC[C@H]1CCCN1Cc1ccc(Cl)cc1C#N 187186422 YXBZFVSWWSMTKS-CQSZACIVSA-N 280.824 3.539 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccsc1 181130883 GHGGBHYGBSOYGH-LLVKDONJSA-N 258.346 3.651 30 20 CHED CCC[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(C#N)c1 184879992 XPZLPJPLAQTZQR-CQSZACIVSA-N 289.354 3.884 30 20 CHED C=CCCCN[C@]1(Cc2ccc(Cl)cc2)CCOC1 502527215 HKQKTQAZRGWXQN-INIZCTEOSA-N 279.811 3.597 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(N2CCCCC2)cc1 136247645 MPFFWQWOAJKJKO-KRWDZBQOSA-N 285.391 3.555 30 20 CHED N#Cc1cc(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)ccc1F 328855319 CPZMQQHAJUNABS-SLEUVZQESA-N 286.350 3.971 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2CCC(C)(C)C[C@H]2C)C1 328911042 NWJDXOOBCDLAJC-LOWDOPEQSA-N 280.412 3.913 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1C=CCC1 500303895 CPAAXYGOSFPBRS-MRXNPFEDSA-N 296.414 3.899 30 20 CHED C[C@@H]1c2cccn2CCN1CCC1(C#N)CCCCC1 411142229 GBECGPFFHYCTCE-OAHLLOKOSA-N 271.408 3.729 30 20 CHED C#CCN(Cc1cccs1)[C@@H]1CCc2ccccc21 195672710 IKDUVESNCBUCKK-QGZVFWFLSA-N 267.397 3.871 30 20 CHED C=CCCN(Cc1ccco1)Cc1ccccc1O 133015834 PGFADQIWFBXPGN-UHFFFAOYSA-N 257.333 3.564 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)CCc1ccc(C#N)cc1 45082709 XTTFHALCZXDTDX-YOEHRIQHSA-N 284.403 3.528 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 192130539 CSGIWQHTGRZYKY-JKSUJKDBSA-N 269.388 3.503 30 20 CHED C=CCN(C)Cc1cc(Cl)c(OC)cc1Cl 428375648 PHRFGWRNKFSISD-UHFFFAOYSA-N 260.164 3.620 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 132103610 NOCXRRUBIBDRGW-MNOVXSKESA-N 261.325 3.703 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(C#N)c1 190043950 FFXIJSNMGQDJSM-AWEZNQCLSA-N 262.740 3.752 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)N2CC=C(C(C)(C)C)CC2)o1 329289625 QFGUZRRJYMIUEV-LBPRGKRZSA-N 291.395 3.636 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1c1cncc(C#N)n1 420581971 HXNZIRMYEDLBGO-IAGOWNOFSA-N 292.386 3.511 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCc1ccc(Cl)cc1 424633980 XAEIIOCQIOYQAK-UHFFFAOYSA-N 279.811 3.991 30 20 CHED CC[C@@H](/N=C(/O)c1cc(C#N)oc1C)c1c(C)noc1C 331243195 YSVRYTDMCRMTMT-CYBMUJFWSA-N 287.319 3.520 30 20 CHED Cc1cc(CCCC(=O)[C@@H](C#N)c2ccccn2)c(C)s1 84692685 MKAKSPHOXLUGBJ-HNNXBMFYSA-N 298.411 3.959 30 20 CHED CC1(C#N)CCN(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)CC1 334881577 IVUJQONNHMJFHX-ZIAGYGMSSA-N 291.439 3.536 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2N[C@@H]1CC[C@H](C#N)C1 424318078 CLGRIQUBAJERGV-TTZDDIAXSA-N 254.377 3.825 30 20 CHED C[C@H](NCc1cnc(C2CC2)s1)c1ccc(C#N)cc1 532395679 SPJVGISFEMQJIZ-NSHDSACASA-N 283.400 3.743 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@H](c2ccncc2)C1 515666903 AFVIHPZFNVADSJ-HNNXBMFYSA-N 297.789 3.596 30 20 CHED C[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)CC12CCC2 334831635 LCEPUOQZHZIEMI-OAHLLOKOSA-N 296.414 3.530 30 20 CHED Cc1nnc(S[C@H](C)c2ccc(C#N)cc2)n1C(C)C 331187850 ZIGZRTYRERQBCP-LLVKDONJSA-N 286.404 3.892 30 20 CHED C[C@@H]1CN(CC(C)(C)CCC#N)C[C@H](c2ccsc2)O1 93769164 RXSYHZJBUSTCGH-UKRRQHHQSA-N 292.448 3.840 30 20 CHED CC[C@@H](C)CNCc1cn(CCC#N)nc1-c1ccccc1 421388509 UDPHTRLSROWNAH-OAHLLOKOSA-N 296.418 3.599 30 20 CHED N#Cc1ccc(CNc2cncc(-c3cccs3)n2)cc1 338649999 QKYBGDZENBDKBW-UHFFFAOYSA-N 292.367 3.689 30 20 CHED Cc1ccc(-c2cccnc2)cc1NC(=O)C(C)(C)C#N 336621559 QCUPSTINKJOKLP-UHFFFAOYSA-N 279.343 3.545 30 20 CHED CC(C)(C#N)CCn1ncc2cc([N+](=O)[O-])cc(Cl)c21 337141753 WCTSDXZNAOVPDF-UHFFFAOYSA-N 292.726 3.538 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cnc(C(C)(C)C)s1 435741864 QZZOWZORFFUQDG-GXTWGEPZSA-N 294.464 3.511 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1 432413605 NGBMEQARFOKWOH-UHFFFAOYSA-N 266.410 3.981 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cc(F)c(F)c(F)c1 519532813 NWAWFFCHJXIORQ-UHFFFAOYSA-N 299.296 3.555 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(Cl)c1F 435736584 YDYGMKIQZMECJY-DOMZBBRYSA-N 283.774 3.550 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 437911455 OIYGADDGMRLCFD-RVKKMQEKSA-N 295.467 3.936 30 20 CHED N#C[C@]1(C(=O)Nc2nc3ccccc3s2)CC12CCCC2 333255665 ZIMGFXQHDNUMQH-INIZCTEOSA-N 297.383 3.709 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(OC(C)(C)C)cc1 435455175 TZVWUEVIDCXEKK-UHFFFAOYSA-N 298.342 3.889 30 20 CHED CCCN(CC#N)Cc1ccc(-c2ccccc2)o1 92397944 XQSKRZFVWQPXHM-UHFFFAOYSA-N 254.333 3.682 30 20 CHED CC(C)(C)CN(CCC#N)Cc1csc(Cl)n1 295103907 ULWQRRZJZMOQFY-UHFFFAOYSA-N 271.817 3.558 30 20 CHED CCC(CC)(CC)NC(O)=Nc1sc(C)nc1C 330942663 ZXSBHCVUFQJNBV-UHFFFAOYSA-N 269.414 3.864 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C#N)s1 336100575 UGIXLEDXGZJSDQ-GXTWGEPZSA-N 296.395 3.638 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCc3cc(F)c(Cl)cc32)C1 527908970 GUSNCQHJEWTOJW-ZVWUFJHRSA-N 278.758 3.748 30 20 CHED CC(C)CCOc1ccc(CNCCCC#N)cc1 344332858 ZVSSPEHKQVVGLN-UHFFFAOYSA-N 260.381 3.505 30 20 CHED C=CCn1cccc1-c1nc([C@@H]2C[C@H]3CC[C@H]2C3)no1 345901770 KVKAVRDHMJZXST-RWMBFGLXSA-N 269.348 3.628 30 20 CHED CCC[C@@H](C#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 522959397 LZHWHNAYAYVMSC-INIZCTEOSA-N 286.419 3.725 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1Cc2ccccc2S1 431874000 WQWMAVVKVAECMX-INIZCTEOSA-N 294.379 3.522 30 20 CHED C[C@@H](C#N)NC(=O)c1sc2cccc(Cl)c2c1Cl 604543715 DERIBHIYBSSEQR-LURJTMIESA-N 299.182 3.850 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2csc(-c3ccccc3)n2)C1 349789979 MQFOGGVKGYGRMB-TZMCWYRMSA-N 283.400 3.592 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CO[C@@H]1CCCC[C@H]1C 348524890 KLKJFOQIKKVHHH-HUUCEWRRSA-N 294.439 3.513 30 20 CHED N#Cc1c(NCc2cccs2)nc2cc(Cl)ccn12 341278440 SDPLUHSOEPQKLM-UHFFFAOYSA-N 288.763 3.533 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H]1CCCCC1(C)C 437476889 PECLZSXGLRPHLO-UXLLHSPISA-N 293.451 3.690 30 20 CHED N#CCC1(CN2CCC[C@@H]2c2ccc(F)cc2)CC1 602758362 GFHICANULNXEBB-OAHLLOKOSA-N 258.340 3.656 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1nc(C2CCCCC2)no1 347196302 AKEFZQKTKDEDSV-LBPRGKRZSA-N 290.411 3.708 30 20 CHED C=CCN(CCCOCC)Cc1ccc(Cl)s1 607725540 GDXLAPQDVAJEHZ-UHFFFAOYSA-N 273.829 3.816 30 20 CHED CCN(CCC#N)Cc1ccc(Cl)c2cccnc12 349853027 HJZBXNIBZFAMHZ-UHFFFAOYSA-N 273.767 3.624 30 20 CHED CCN(C(=O)c1sc(C)cc1C)c1ccc(C#N)cc1 602274708 BRLBLHHWUXWKQY-UHFFFAOYSA-N 284.384 3.903 30 20 CHED CCN(CC)[C@@H](CNC[C@H](C)CCC#N)c1ccccc1 602501039 CPFHQCLDMFLOES-AEFFLSMTSA-N 287.451 3.599 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C)cc1SC 602348166 KKSCPZKNCYRAKC-UHFFFAOYSA-N 276.405 3.985 30 20 CHED CC(=O)Nc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1 255068790 BRNFQKYRXJEXFQ-RIYZIHGNSA-N 295.313 3.607 30 20 CHED C=C[C@@H]1OCC[C@H]1NC1CC(c2ccccc2Cl)C1 449522613 VTODLHVTOSLKRN-TUHYSUIHSA-N 277.795 3.519 30 20 CHED O=C1CCCc2ccc(N=Cc3ccccc3O)cc21 255719973 JJIQTBOQGAEEQL-UHFFFAOYSA-N 265.312 3.662 30 20 CHED Cc1cc(CNc2cnn(CC(C)C)c2C)ccc1C#N 443985527 HPPGDSIUMACDCV-UHFFFAOYSA-N 282.391 3.640 30 20 CHED C=CCCCC[C@@H](C)NCCc1nc(C)oc1C 449212443 VBUCXVGNIHUBRQ-GFCCVEGCSA-N 250.386 3.558 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CC(C)(C)Oc2ccc(F)cc21 602699287 PJJGTRWVOQUWQU-WFASDCNBSA-N 290.382 3.957 30 20 CHED C[C@H]1CCCc2ccccc2[C@H]1NCc1cccc(C#N)n1 602619526 WQFQACKXZYIKCL-LIRRHRJNSA-N 291.398 3.757 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@@H](C)C2CCC2)cc1 356545728 KUWXERHUBVTDGD-ZDUSSCGKSA-N 273.376 3.512 30 20 CHED N#Cc1ccc(CCSCC[C@H]2CCCC2=O)cc1 600639534 ZWEDBZYJXBQCHK-OAHLLOKOSA-N 273.401 3.593 30 20 CHED Cc1cc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)ccc1C#N 443996109 PIEWTMNWSZHXTA-IAGOWNOFSA-N 286.419 3.548 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2CCSc3ccccc32)c1 358124432 NGZQCYQNAFJXOB-OAHLLOKOSA-N 294.379 3.776 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(COCC3CC3)c2)C1 442860181 RTHUXEUAAJKPHW-RHSMWYFYSA-N 270.376 3.717 30 20 CHED N#Cc1cccc(CSCCOCC(F)(F)F)c1F 350716323 QOMBVDJWLHPKAQ-UHFFFAOYSA-N 293.285 3.509 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](SC)C2)CCCC1 449887900 NRENZNMEPISJOV-KGLIPLIRSA-N 281.465 3.913 30 20 CHED Cc1ccc(C[C@H]2CCCN(c3cnccc3C#N)C2)cc1 611281020 JPJXSNBAGPVTBI-QGZVFWFLSA-N 291.398 3.721 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)c1ccc(C)cc1 350729377 KSEKPDCADVADLJ-UHFFFAOYSA-N 282.391 3.808 30 20 CHED CC(C)(C)c1nccc(Sc2ccc(C#N)cc2F)n1 610515923 NLZKWSLSZOZQRT-UHFFFAOYSA-N 287.363 3.936 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C)c2ncccc12 448638955 NTGZDWIIJVIPPH-UHFFFAOYSA-N 254.333 3.694 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc(C(=O)NCC)c1 449083027 ADPFYLORXGNQOF-OAHLLOKOSA-N 288.435 3.661 30 20 CHED C=CCCCC(=O)Nc1ccc2nc(N(C)C)ccc2c1 359090124 ZYWNFGIIBGJQTG-UHFFFAOYSA-N 283.375 3.596 30 20 CHED CCC[C@@H](CCc1ccccc1)NCC(C)(C)C#N 613145929 QXKSUUMRSDFKQI-INIZCTEOSA-N 258.409 3.927 30 20 CHED C=CCC1(NC(=O)c2cc(C(C)=O)cs2)CCCC1 619104788 WLYSEDGLRFXCOV-UHFFFAOYSA-N 277.389 3.569 30 20 CHED Cc1nc(CCOc2ccc(C#N)c(Cl)c2)cs1 358971024 YFGJOHNROHQHPN-UHFFFAOYSA-N 278.764 3.598 30 20 CHED CN(CC1(C#N)CCC1)[C@@H]1CCC[C@@H]1c1ccccc1 459714357 VACSEJRTIXAQOG-IAGOWNOFSA-N 268.404 3.948 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)c(F)c2)C2CC2)o1 616748443 BYFCZLKDOIIMOZ-UHFFFAOYSA-N 284.334 3.763 30 20 CHED C[C@@H](c1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1)C(F)(F)F 454962733 NPSXSOPKQFFMRL-QWRGUYRKSA-N 298.308 3.584 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)C1 530604301 SZRFYKHLRGMPSG-UKRRQHHQSA-N 285.391 3.957 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)C1CCCC1 610521875 WRQGWKWLFXEKLF-SUMWQHHRSA-N 276.424 3.791 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 611142840 QRRQLCUABSKXOL-YMTOWFKASA-N 299.201 3.905 30 20 CHED CCN(CC#N)[C@@H](c1ccccc1)c1ccc(F)cc1 532715050 PIVLZYRYFWAGQA-KRWDZBQOSA-N 268.335 3.761 30 20 CHED C=CCCc1noc(CCC(=O)c2ccc(CCC)cc2)n1 453244798 FQUSNCXOSPRBAR-UHFFFAOYSA-N 298.386 3.956 30 20 CHED C=C(C)CN(C)C(=O)Cc1ccccc1OC1CCCC1 457697264 UBOMDANEWHJUBE-UHFFFAOYSA-N 287.403 3.585 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 450973737 SYDVCTAVHYZZBP-VWPFQQQWSA-N 276.424 3.647 30 20 CHED CCC[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C(C)(C)C 452671401 MNGFFRZTRDURBR-CZUORRHYSA-N 286.419 3.993 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCc4cc(F)ccc43)CC2)c1 272297493 QTRUSYMSSJNMGW-GOSISDBHSA-N 292.357 3.964 30 20 CHED Cc1ccc2c(C(=O)N[C@]3(C#N)CC3(C)C)csc2c1 362170535 PYJPBXGRJBAQER-INIZCTEOSA-N 284.384 3.632 30 20 CHED C=C(CC)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 541703694 NKSSZHDLRWBUJB-DLBZAZTESA-N 277.383 3.944 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H](C[C@@H]2CCOC2)C1 369367745 CGIYJNPHJBGEKY-SJORKVTESA-N 292.467 3.845 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)NC1CCC(C)(c2ccccc2)CC1 450155444 HQQPDODHDKJBFH-LEDLJOFTSA-N 296.414 3.553 30 20 CHED C=CCCC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 361289731 XPKWBPSDDANYOM-ZDUSSCGKSA-N 277.339 3.510 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC2CC(F)(F)C2)c1 277246817 VGHTYBKXEGRVTD-UHFFFAOYSA-N 276.208 3.787 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)cc2OC)CCCC1 459969034 URXKLUPOMLYKDR-UHFFFAOYSA-N 277.339 3.909 30 20 CHED C[C@H](c1ccc(OC(F)F)cc1)N1CCC(CC#N)CC1 543810507 YMASMVSPMFZGTF-GFCCVEGCSA-N 294.345 3.975 30 20 CHED C=CCN(C(=O)Nc1ccnn1[C@@H](C)CC(C)C)C1CC1 360525379 ADYPZJGLWNANEH-ZDUSSCGKSA-N 290.411 3.673 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](NCC(C)(C)CC#N)CC3 459660023 APBXXJIWPHJMFZ-CQSZACIVSA-N 295.430 3.863 30 20 CHED C=CCCOCC(=O)N[C@H](c1ccccc1)C(CC)CC 620329043 RHIHZQQKKWWRQN-SFHVURJKSA-N 289.419 3.873 30 20 CHED Cc1cc(Cl)ccc1C(=O)N[C@@](C)(C#N)C(C)(C)C 274321194 KLXSTPATVRMUOA-HNNXBMFYSA-N 278.783 3.707 30 20 CHED CCSCCSc1snc(Cl)c1C#N 274042548 XWVBROJELKPBDZ-UHFFFAOYSA-N 264.828 3.513 30 20 CHED C=CCCCC(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 375581756 KYGSXRKSUDQOLI-MRXNPFEDSA-N 297.320 3.718 30 20 CHED C=CCCN(C)C(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 276349003 HHPUVGLFFDCMRE-GFCCVEGCSA-N 293.794 3.583 30 20 CHED C#CC[C@@H](NC(=O)N(CC)CCCC)c1ccccc1 270499243 YPPXHYGSVADEIV-MRXNPFEDSA-N 272.392 3.583 30 20 CHED C=CCN(C(=O)c1cc(C)n([C@H](C)CC)n1)C(C)(C)C 622944728 CGXIRRNORHFPPK-GFCCVEGCSA-N 277.412 3.589 30 20 CHED C=CCCOc1ccccc1-c1cnn(CCCOC)c1 629736717 VIFGHOGQNWKJPJ-UHFFFAOYSA-N 286.375 3.542 30 20 CHED C[C@H](NCCC1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 555235057 XFLNGQKCPQFHLN-KFWWJZLASA-N 286.419 3.803 30 20 CHED CC[C@@H]1CCC[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 286219936 SIKSNNFMGPZHBX-VQIMIIECSA-N 297.446 3.695 30 20 CHED C=C[C@H](C)NC(=O)N(CCC)[C@@H](C)c1ccccc1OC 464759618 ZQKQUSPGSQSSBD-KBPBESRZSA-N 290.407 3.752 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 281079695 FBBUHZMUHUCVAV-CJNGLKHVSA-N 284.403 3.891 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@H](C)c1ccc(OC)cc1 551420036 NAYDQTYVOBQRKS-AWEZNQCLSA-N 289.419 3.907 30 20 CHED C=C[C@@H](C)NC(=O)c1oc2ccc(Cl)cc2c1C 465110958 MJFJDCDOIMXOKM-MRVPVSSYSA-N 263.724 3.699 30 20 CHED C=CCCN(C)C(=O)[C@H](C)CCCc1ccccc1 466630848 LQXHKWBMYYNJQY-OAHLLOKOSA-N 259.393 3.680 30 20 CHED CC[C@@](C)(C#N)C(=O)N1C[C@@H](C(C)C)c2ccccc21 287278808 YRTNSUYEBZMZEV-YOEHRIQHSA-N 270.376 3.713 30 20 CHED CCO[C@H](CCNc1nc(Cl)c(C#N)s1)C(C)C 288255438 GHWDGCWCYPNTFL-SECBINFHSA-N 287.816 3.531 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 466314834 RZMMYPKVWRYZEQ-MRXNPFEDSA-N 275.436 3.999 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H](C)CC 463954619 LXMLNXCUGZHIBK-FZMZJTMJSA-N 280.799 3.912 30 20 CHED N#Cc1c(NC[C@@H]2CC=CCC2)nc2cc(Cl)ccn12 553315467 HZQXBAHOWXIXHV-LLVKDONJSA-N 286.766 3.628 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1cccc2ccccc12 558890137 BAWNHWSUWQXNQG-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)NC(=O)CC(C)(C)C)n1 551138435 VRQIXIRTEWLRCK-NSHDSACASA-N 293.411 3.537 30 20 CHED C=CCCCCCN(C)C(=O)c1oc(C(C)C)nc1C 556293069 NDKVTCWIUFJVIO-UHFFFAOYSA-N 278.396 3.925 30 20 CHED C#Cc1ccc(CN[C@H]2CCOc3c(CC)cccc32)cc1 809617092 HLMSLNMUBCKJFM-IBGZPJMESA-N 291.394 3.844 30 20 CHED C=C(C)COC(=O)[C@@H](C)Cc1cncc2ccccc12 805679920 GHDUGYTYENYXSF-ZDUSSCGKSA-N 269.344 3.533 30 20 CHED C#Cc1ccc(CNCc2oc3ccccc3c2OC)cc1 809653161 RCPLDIITHNELML-UHFFFAOYSA-N 291.350 3.713 30 20 CHED C=C(Cl)COc1c(F)cccc1Br 706977936 BXARMAAMFGOPPF-UHFFFAOYSA-N 265.509 3.720 30 20 CHED COc1ccc([C@@H](Cc2ccc(F)cc2)NCCC#N)cc1 299711816 QNFQJOQMHDMRAM-GOSISDBHSA-N 298.361 3.621 30 20 CHED CC(C)=CCC[C@H](C)CC=NN[C@H]1CCSC1 808001125 GHIVMNWANNBUBG-KBPBESRZSA-N 254.443 3.840 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)Cc2ccccc2C)CC1 474957769 YCNDNCNKVCCKHN-HNNXBMFYSA-N 271.404 3.789 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@@H]2CCCF)n1 800812900 NTCHJOAWJHHIDG-SNVBAGLBSA-N 284.766 3.756 30 20 CHED CC(C)C(C)(C)CNC(=O)c1ccc(C(C)(C)C#N)cc1 476927569 OIAGPYKRPBXNFO-UHFFFAOYSA-N 286.419 3.900 30 20 CHED CC#CCN(C)C(=O)c1ccccc1SCc1ccco1 647541992 MMMOSCQZLGSZGA-UHFFFAOYSA-N 299.395 3.667 30 20 CHED C#CCCCCC(=O)N1Cc2cccc(C)c2CC1(C)C 295779802 DHMCUWZVTFLBMV-UHFFFAOYSA-N 283.415 3.852 30 20 CHED O=C1/C(=C/c2cccc(F)c2)Cc2nc(Cl)ccc21 806577391 BWLPBMVBXISIJD-UXBLZVDNSA-N 273.694 3.697 30 20 CHED C=CCCc1noc(Cc2c[nH]c3c(C)cccc23)n1 297385031 RJMNHXQXVLHQFD-UHFFFAOYSA-N 267.332 3.569 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(F)cc1O 806178568 VNMWKGPZWICJFR-NSHDSACASA-N 264.344 3.512 30 20 CHED C=C(C)CNc1nc(CC[C@H]2CCCCO2)cs1 295461745 XGQZPLSANUTXFS-CYBMUJFWSA-N 266.410 3.633 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccnc(C(F)(F)F)c1 808705418 FYJMQEGQDRKLRX-SNVBAGLBSA-N 286.297 3.575 30 20 CHED C=CCCCCNC(=O)N(C)Cc1cccc(Cl)c1 472843604 CWKSWDBOHYJUPP-UHFFFAOYSA-N 280.799 3.838 30 20 CHED C=C[C@H](CC(=O)NC/C=C/c1cccnc1)c1ccccc1 647811898 OORJLCVOKUHJGB-UGAXZCSASA-N 292.382 3.571 30 20 CHED C=CCCCNCc1cc2cc(Cl)cnc2o1 648562142 PHEWLYXWSAQMAZ-UHFFFAOYSA-N 250.729 3.537 30 20 CHED CC(C)Oc1nnc(SCc2ccc(C#N)s2)s1 563411316 CPSNGAKXWMLZLU-UHFFFAOYSA-N 297.430 3.551 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CCS[C@@H]1C)c1ccccc1 648679923 VBEHLXKTCFEANJ-KBMXLJTQSA-N 289.444 3.747 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CCCC1 567954701 KKJRPHUGPUCYNA-GJZGRUSLSA-N 291.435 3.539 30 20 CHED C#Cc1ccc(CN[C@H]2CCO[C@@H](C(CC)CC)C2)cc1 809635292 VRPLEHXRWCFUGE-RBUKOAKNSA-N 285.431 3.741 30 20 CHED C[C@H](C=NNc1ccc(C(F)(F)F)nn1)C(C)(C)C 800814936 FJLVOVMFEPDBMZ-MRVPVSSYSA-N 274.290 3.575 30 20 CHED CCC(CC)[C@@H](NCCO[C@@H](C)C#N)c1cccs1 801937109 DOSPRMNEEQGHQY-SWLSCSKDSA-N 280.437 3.744 30 20 CHED CSC1(C=NNc2ccc(Cl)cc2[N+](=O)[O-])CC1 800809788 ATYWAFGZZMOYLJ-UHFFFAOYSA-N 285.756 3.542 30 20 CHED Cc1ccc(Oc2ccccc2CCNCCC#N)cc1 562997477 ODSKJMPOALVDRA-UHFFFAOYSA-N 280.371 3.833 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1cccc(N)c1 814885179 QIXQFPHJFDHRBP-UHFFFAOYSA-N 269.348 3.504 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1sccc1C 488813444 HSMIIJZFNCTGCU-MGPQQGTHSA-N 275.417 3.727 30 20 CHED C=CCCOCCCCC(=O)N1CC(C2CCCCC2)C1 564005716 UIGYHLCJQCHGCC-UHFFFAOYSA-N 293.451 3.788 30 20 CHED C[C@@H](CN1CCCc2cc(C#N)ccc21)C(F)(F)F 565175494 VQWVPKYZIJQAKX-JTQLQIEISA-N 268.282 3.509 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1c1ccnc(C#N)n1 565220235 BRXLRFGXSAEPQN-JKSUJKDBSA-N 292.386 3.511 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C1(F)CCCCC1 810639190 TVBCVCDTRAKHPY-UHFFFAOYSA-N 275.323 3.582 30 20 CHED Fc1cccc(F)c1NN=Cc1nc2c(s1)CCCC2 814853008 XPYHLYWWYIVZBE-UHFFFAOYSA-N 293.342 3.746 30 20 CHED CC#CCCCC(=O)Nc1ccc(C(=O)C2CCC2)cc1 489709656 YLSJUJJICPITRD-UHFFFAOYSA-N 283.371 3.802 30 20 CHED CCCC(=NNCc1cc(F)ccc1F)c1ccccn1 814809088 OYGMFCTYVCSZBY-UHFFFAOYSA-N 289.329 3.654 30 20 CHED C#C[C@@H](NC(=O)Cc1coc2cc(C)c(C)cc12)C(C)(C)C 813776521 YJQXZTRDCQOYEF-QGZVFWFLSA-N 297.398 3.756 30 20 CHED CC(C)[C@H]1CC(=NNc2cccc(Cl)n2)CS1 814939081 DICZNPFKDDJZQH-SNVBAGLBSA-N 269.801 3.664 30 20 CHED COc1ccc(C(CCC(C)C)=NNc2cccnn2)cc1 814852617 IFLZSVWYTOYTNO-UHFFFAOYSA-N 298.390 3.738 30 20 CHED C(=NOC1CCC1)c1csc(-c2cccs2)n1 812235029 IJUDCYQIROQVKI-UHFFFAOYSA-N 264.375 3.775 30 20 CHED CC#CCN1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 480759858 VXYIHNCCPAMWBM-INIZCTEOSA-N 299.805 3.890 30 20 CHED CCOc1ccc(/C=N\Cc2ccc(F)c(C)c2)c(O)c1 812415022 WREGPIJBNBJIEU-ODLFYWEKSA-N 287.334 3.858 30 20 CHED CC(C)(C)[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)CCO1 579891119 CBQRTQJXHSTWKI-NJAFHUGGSA-N 298.430 3.729 30 20 CHED COc1c(Cl)cc(Cl)cc1C=NNC1CCCC1 727651620 ISPLWPKLLVYRFN-UHFFFAOYSA-N 287.190 3.868 30 20 CHED Cc1ccc([C@H]2CCCN2c2ccc(C#N)c(C)n2)cc1 487925483 XFLXPOQHMBYTRO-QGZVFWFLSA-N 277.371 3.912 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1c[nH]c2cc(C)ccc12 488877539 KKQZRVXVVCEQJS-MRXNPFEDSA-N 296.414 3.976 30 20 CHED CCc1cnc(C=NNc2cccc3cnccc23)s1 814836403 POOWIIMYQUYFLG-UHFFFAOYSA-N 282.372 3.700 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1cccc(C(=O)O)c1 814687790 UJHBVPLUQYMWMD-UHFFFAOYSA-N 286.306 3.554 30 20 CHED C=CCOc1ccccc1C(=O)NCCSC(C)(C)C 727401163 KDPPBMZOIQGSLF-UHFFFAOYSA-N 293.432 3.513 30 20 CHED N#Cc1cccnc1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 481041949 USOVEXRKMGRLLQ-CTYIDZIISA-N 283.762 3.965 30 20 CHED C=CCC(F)(F)C(=O)Nc1c(C)cccc1SC 816163150 DZYLBHYCXYMGCD-UHFFFAOYSA-N 271.332 3.867 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C3CC3)cn2)n1 576772281 FMIBFZWKPMZWHM-UHFFFAOYSA-N 269.348 3.863 30 20 CHED Cc1c(Cl)cccc1NC(=S)NCCCCC#N 728799038 OIZKGZHRGIGPNK-UHFFFAOYSA-N 281.812 3.629 30 20 CHED CCCCC[C@H](C)NC(=O)c1cc2ccccc2n1CC#N 729312045 ROXAZCFRXOCCPL-AWEZNQCLSA-N 297.402 3.863 30 20 CHED C=CCCCCNC(=O)CCCc1ccc(F)cc1 571937310 RRDANBZKHUIWIJ-UHFFFAOYSA-N 263.356 3.621 30 20 CHED CC[C@H]1CCCN(c2nc(C)c(C#N)cc2Cl)C1 386545321 SBUWMDJKEBZFEA-NSHDSACASA-N 263.772 3.542 30 20 CHED C=CCN(CC=C)C(=O)[C@H](OC1CCCC1)c1ccccc1 726912054 LMMCFEHPYCFNAP-GOSISDBHSA-N 299.414 3.888 30 20 CHED C=C(C)[C@H](CC(=O)Oc1c(C)cc(OC)cc1C)OCC 824102490 LZLSKQXZCHCPFC-HNNXBMFYSA-N 292.375 3.589 30 20 CHED CC(=NNc1ccccn1)c1ccc(Cl)c(Cl)c1O 727648517 INENTERRMCYZIM-UHFFFAOYSA-N 296.157 3.930 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)Cc1ccccc1C 729267134 KCWZANBCYSXGNX-UHFFFAOYSA-N 294.398 3.920 30 20 CHED CSc1ccc(C)c(NC(=O)c2cc(O)cc(C#N)c2)c1 589196476 FZKSSUBXQDIEMD-UHFFFAOYSA-N 298.367 3.547 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(N(C)C(=O)O)cc1 825659829 HJQVXRVBLWTGRK-UHFFFAOYSA-N 288.347 3.508 30 20 CHED CC(C)c1ccc(C(=O)/C=C/c2c[nH]c(C(=O)O)c2)cc1 827112430 IRIBBSUEGPCIDR-FPYGCLRLSA-N 283.327 3.732 30 20 CHED C=C1CCC(CN[C@@H](C)CC(C)(C)CC(=O)O)CC1 905731826 WKRMMOGBAUPQFF-ZDUSSCGKSA-N 267.413 3.602 30 20 CHED C=CCCC(=O)CSc1nc2ncc(Cl)cc2o1 901670944 AQBYOPRPDBGYAG-UHFFFAOYSA-N 282.752 3.504 30 20 CHED C=CCCC[C@@H](N)c1nc([C@@H](C)c2ccccc2C)no1 904632964 FAHCKVOUEGPGFT-DZGCQCFKSA-N 285.391 3.886 30 20 CHED Fc1ccccc1C=NNc1c(F)cccc1F 735615526 SCXDWMWZIIQZMU-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C=CCCC(=O)NCC1(Cc2ccccc2)CCCC1 490957553 ZIXUIUYROIUUPX-UHFFFAOYSA-N 271.404 3.872 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc(C(F)(F)F)cn1 903018034 VXVXEZATVXBAMF-JTQLQIEISA-N 285.313 3.691 30 20 CHED C#CCOc1ccccc1[C@H](C)OC(=O)/C=C\c1ccco1 730424625 GFMOFUIGOJKESW-BMSUMIBZSA-N 296.322 3.609 30 20 CHED CSc1ccsc1C(=O)OCc1ccccc1C#N 730638829 PMNVQARTEJXHIK-UHFFFAOYSA-N 289.381 3.699 30 20 CHED Fc1ccc(NN=Cc2cc(Cl)cc(Cl)c2)nc1 731319116 RSNSRPJEWZYDHE-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CC(C)c1nc(CN(CCC#N)CC2CC2)c2ccccn12 584534535 UHZOPLNQRZYXAG-UHFFFAOYSA-N 296.418 3.583 30 20 CHED CC(C)CCN(CCC#N)C(=O)C=C1CCC(C)CC1 734127531 WYUFRGQTUFZJHC-UHFFFAOYSA-N 276.424 3.911 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C2(Cc3ccccc3)CC2)C1 839050741 CETSCGRJASEPHA-HZPDHXFCSA-N 283.371 3.635 30 20 CHED C=C/C=C\CCSCCCC1(C#N)CCOCC1 902452956 NMYASTQFRLXSOC-ARJAWSKDSA-N 265.422 3.952 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)C#CC(C)(C)C 837376635 REUCOHKESQQOJH-UHFFFAOYSA-N 271.404 3.721 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2ccccc2)C1 660219247 DUSFICIWRMKRED-CABCVRRESA-N 272.392 3.745 30 20 CHED C[C@@H](c1ccc(C(=O)OC2(C#N)CCC2)cc1)C(F)(F)F 835213042 SLDMRPAHARGFCB-JTQLQIEISA-N 297.276 3.955 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](C)OCC(C)C)c1 589382380 BGTHZWWORNSEGQ-CQSZACIVSA-N 291.391 3.641 30 20 CHED Cc1cccc2c1CCCN2C(=O)c1ccc(F)c(C#N)c1 585742179 YBEVHQCSEKPVNJ-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)C1CCCCC1 582568531 HOTAZCLAXSFVQM-GXTWGEPZSA-N 252.402 3.609 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2cccc(CC#N)c2)[C@H](C)C1 736032875 INEWTIXCTBTPAM-IOASZLSFSA-N 271.360 3.734 30 20 CHED CC(C)(CC#N)CSc1nncc2ccccc12 583034627 JSIGVYNAXQJNEM-UHFFFAOYSA-N 257.362 3.662 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 837429323 PTQAUGVCECNJLK-DLBZAZTESA-N 283.415 3.564 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC3(CCCC3)C2)c1 836774603 ULLSEJSLKFOKJC-UHFFFAOYSA-N 283.375 3.665 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2c(C)cccc2OC)c1C 834420599 IZUQSJUYHGRSSB-KHPPLWFESA-N 298.386 3.733 30 20 CHED C=CCON=C(C)c1cc(C)ccc1OC(F)F 835011612 LWILTNNWHPVDGZ-UHFFFAOYSA-N 255.264 3.523 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(C(C)C)n1 839055086 DXDMNDOHDDAVLY-UONOGXRCSA-N 286.375 3.753 30 20 CHED C=C[C@H](C)NC(=O)c1coc2ccc(C(C)C)cc12 672211448 KFJAXTZWMIBCBP-NSHDSACASA-N 257.333 3.861 30 20 CHED C=COc1ccc(NC(=O)N2CCCC[C@@H]2C=C)cc1 839153976 CAQYJAJKLNTTKY-AWEZNQCLSA-N 272.348 3.781 30 20 CHED C=CCCCCCSCCCc1nc(C)no1 592454542 DGDHSWGRPFJYQL-UHFFFAOYSA-N 254.399 3.790 30 20 CHED CO[C@@]1(C)CC(=NNc2cc([N+](=O)[O-])ccc2C)C1(C)C 746576939 RSRYAQOSAZJVJQ-HNNXBMFYSA-N 291.351 3.506 30 20 CHED O=C(O)c1cccc(NN=C/C=C/c2ccc(F)cc2)c1 747735629 FNRJFGXTNLRIBE-QNVPNRMSSA-N 284.290 3.635 30 20 CHED CSc1ccc(CCC(=O)OCCCCC#N)cc1 910199059 BOUBJZWWRXBRTQ-UHFFFAOYSA-N 277.389 3.578 30 20 CHED CCC(=NNC(=S)Nc1ccccc1)c1ccccc1 915923713 NKFXZLQLKCWDMN-UHFFFAOYSA-N 283.400 3.787 30 20 CHED CC(C)c1cccc(CS(=O)(=O)CCC(C)(C)C#N)c1 596038081 JERUZVQFXZZZKO-UHFFFAOYSA-N 293.432 3.665 30 20 CHED CC[C@@H](NCc1ccc(OCC#N)cc1)[C@@H]1CC1(C)C 840726889 NXEFZHDQPZQEHR-JKSUJKDBSA-N 272.392 3.503 30 20 CHED CC[C@@H](NCCCOC(C)(C)C)c1ccc(C#N)cc1 595077448 SBPBLCZCEUOGBC-MRXNPFEDSA-N 274.408 3.804 30 20 CHED N#CCC1(CNc2ccc(OC(F)F)c(F)c2)CC1 849313573 FEKRSQZLURAWQS-UHFFFAOYSA-N 270.254 3.533 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 593682740 JRGYDAGHBDBHSI-CJNGLKHVSA-N 284.403 3.756 30 20 CHED Cc1cccc(C(=O)/C=C/c2c(C3CC3)cnn2C)c1 849242576 IGJHQSROQNBADK-CMDGGOBGSA-N 266.344 3.502 30 20 CHED C[C@H]1CC(=NNc2nc(Cl)c(Cl)cc2Cl)CO1 842523779 XJHYTRQHAUDYKY-YFKPBYRVSA-N 294.569 3.619 30 20 CHED CC(C)c1cccc(NC(=S)N(C)CC(C)(C)C#N)c1 840748604 FSVQVJQQESPRGB-UHFFFAOYSA-N 289.448 3.988 30 20 CHED C=C[C@H](CC(=O)N(CC)CCSC)c1ccccc1 592737596 POUNVPKLEKEJRP-CQSZACIVSA-N 277.433 3.558 30 20 CHED N#C[C@H](C(=O)CCc1ccccc1)c1nc(C2CC2)cs1 842936483 AYKCBWYLGJRXKR-CQSZACIVSA-N 296.395 3.830 30 20 CHED N#Cc1ccc(O)c(NC(=O)C2CCCCCCC2)c1 748411277 YNCLTIHHHXVIGP-UHFFFAOYSA-N 272.348 3.563 30 20 CHED C=C(CNC(=O)[C@@H](C)c1cccc(C)c1)c1ccccc1 672479151 CBHGHEDPNAIQPE-INIZCTEOSA-N 279.383 3.928 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(C(F)F)cc1F 594001220 LKURFOIRMWJYSD-HNNXBMFYSA-N 298.308 3.821 30 20 CHED CCC[C@H](C)C(CC)=NNc1ccc(C(=O)O)cc1 748246146 KBKVCLZVALRMIN-NSHDSACASA-N 262.353 3.999 30 20 CHED C#CC[C@@H](OC(=O)[C@@H]1CCC(C)=C(C)C1)c1ccccn1 842709939 IBKTWMBEDWHFRS-NVXWUHKLSA-N 283.371 3.826 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@@H](C)CC(F)(F)F)cc1 840873049 PSYOEZDXQPQROU-QWHCGFSZSA-N 299.336 3.938 30 20 CHED COc1cccc(O)c1/C=N/C[C@H](C)Oc1ccccc1C 741845425 TXJSNQPQHXQTJG-BXUJETTOSA-N 299.370 3.596 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(Cl)nc2)CCCC1 841206500 AXBMLFJZWGVESZ-UHFFFAOYSA-N 278.783 3.834 30 20 CHED CC[C@@]1(C)CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 594309713 HPHNAWHAZVGLNJ-BEFAXECRSA-N 298.430 3.776 30 20 CHED C[C@H](CN(C)C(=O)NCCCCC#N)C1CCCCC1 598983708 REXCGAFNHKIOGC-CQSZACIVSA-N 279.428 3.538 30 20 CHED CC[C@H](C#N)C(=O)NC1(Cc2ccccc2)CCCCC1 593611411 PAWDQSHYCZXPBG-MRXNPFEDSA-N 284.403 3.598 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCC(C)(C)C#N 596549413 DWBMOUJHVQOTNG-HNNXBMFYSA-N 299.418 3.700 30 20 CHED CC#CCOC(=O)c1sc2cc(F)ccc2c1Cl 744472084 XTQBIFBRDAIXER-UHFFFAOYSA-N 282.723 3.874 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C#N)c1 598445816 SNLRZXZYQNZWPI-FTNCPSPGSA-N 288.778 3.615 30 20 CHED CC[C@H](C)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842945239 OWMKGPBSWRSJCD-ONGXEEELSA-N 262.378 3.633 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1ccc(C)cc1C)CC(C)C 593752440 LHYIVBXRKJLOAG-INIZCTEOSA-N 286.419 3.838 30 20 CHED CC(C)(C)OC(=O)N[C@@H]1CCCC(=NOCCC2CC2)C1 848410110 JKTRUXQWVAMGQG-CYBMUJFWSA-N 296.411 3.626 30 20 CHED C#CCCCC(=O)N(Cc1nc2ccccc2s1)C1CC1 928664304 HVDZVMGBSWWIRZ-UHFFFAOYSA-N 298.411 3.591 30 20 CHED CC#CCCCCOC(=O)[C@@H]1C[C@H]1c1ccccc1OC 842336523 ITINABBRUKRINQ-JKSUJKDBSA-N 286.371 3.536 30 20 CHED Cc1cc(C=NNc2ccc(Cl)nc2)ccc1F 743449955 CYPMWCIDBZNXRD-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCC1CC(=O)C(=CNc2cccc(Cl)c2F)C(=O)C1 920979851 KIFHZNJLEMXMQB-UHFFFAOYSA-N 295.741 3.733 30 20 CHED C[C@@H](C#N)N(C(=O)c1cc2cccc(Cl)c2o1)C1CC1 855582768 OCRYFQDSJGYBNZ-VIFPVBQESA-N 288.734 3.603 30 20 CHED O=[N+]([O-])c1ccccc1CON=Cc1ccc(Cl)cc1 854286094 UFRPLCMKEZZOGL-UHFFFAOYSA-N 290.706 3.799 30 20 CHED CCCCCCCNC(=O)N[C@H](C)CC(F)(F)F 858113389 SCTCFSWPPCMJHA-SNVBAGLBSA-N 268.323 3.597 30 20 CHED CS[C@H]1CCC[C@@H](NCC2CCC(C#N)CC2)C1 922095358 BGMZDEYWKZTRDE-CVSAEHQPSA-N 266.454 3.580 30 20 CHED Clc1cnc(NN=C2CC[C@@H]3CCCC[C@H]3C2)nc1 857221661 KPVGBXZRBXSDDC-QWRGUYRKSA-N 278.787 3.888 30 20 CHED CCCCCCCNC(=O)N1CCCC2(CC2)C1 858112845 LHDMHYKAQUIMEH-UHFFFAOYSA-N 252.402 3.542 30 20 CHED C[C@@H]1CCCCN1N=Cc1c(O)ccc2ccccc12 853380130 UTMKZBRMLPUZDO-CYBMUJFWSA-N 268.360 3.754 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cccc(-n2cccn2)c1 925187632 DRKWCGNKMGTJTF-GJZGRUSLSA-N 296.418 3.851 30 20 CHED N#CC[C@@H]1CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 853761833 XVMGSIVMXKWNCD-VIFPVBQESA-N 297.717 3.517 30 20 CHED Cc1cc(C)c2nc(C3CC3)cc(C(=O)O[C@@H](C)C#N)c2c1 752579092 DSEAGPITXDRIES-LBPRGKRZSA-N 294.354 3.798 30 20 CHED CCOc1cccc(CCN[C@H](C)CC(C)(C)C#N)c1 925572619 MHAQZQYBQGUTIA-CQSZACIVSA-N 274.408 3.546 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1cc(F)cc(F)c1 755703539 DIWUAPIGXODLEU-YHYXMXQVSA-N 290.240 3.763 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)OCc2ccccc2C#N)C1 750244695 XBEPYYLEGGQGMG-UONOGXRCSA-N 271.360 3.818 30 20 CHED C=C(C)CNC(=S)N[C@@H](CC)c1ccccc1OCC 751027586 LMQZWMNBOFCSAR-AWEZNQCLSA-N 292.448 3.577 30 20 CHED CC(C)CN(CC#Cc1ccc(Cl)cc1)CCC#N 750047582 PAFGEMIMGWWBTE-UHFFFAOYSA-N 274.795 3.563 30 20 CHED Cc1c(C(=O)O[C@H](C)C(C)(C)C#N)oc2c(F)cccc12 753621428 UOUXMYXFPLASNN-SNVBAGLBSA-N 289.306 3.975 30 20 CHED C=C(Cl)CSCCC(=O)Nc1ccc(F)cc1 853783715 QBIGWVBAQWTZKV-UHFFFAOYSA-N 273.760 3.640 30 20 CHED C=CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 853801938 NYUAEPDWPKUKIJ-ZDUSSCGKSA-N 288.347 3.590 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Cl)c2occc12 934233163 FFYWNILKZPYZAZ-LBPRGKRZSA-N 290.750 3.754 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1ccccc1OC 931797653 YJUCAAGMWKMRTO-GDBMZVCRSA-N 287.403 3.961 30 20 CHED C=CCC[C@H](O)CN1CC=C(c2c[nH]c3ccccc23)CC1 760804427 LDBYNTMYDRERAW-INIZCTEOSA-N 296.414 3.584 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)C(=O)OCC1(C#N)CCC1 768090680 GXXJIWSYRVIBSV-LBPRGKRZSA-N 291.778 3.756 30 20 CHED C#Cc1ccc(-c2nc([C@@H](C)c3ccccc3C)no2)nc1 762337309 VBEJILIGCSPQBO-ZDUSSCGKSA-N 289.338 3.573 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)Cc2cccc(C)c2)CC1 866261514 VOYDOLNHPMYSNG-KRWDZBQOSA-N 286.463 3.556 30 20 CHED Cn1cnc2cc(/C=C3\Cc4ccc(F)cc4C3=O)ccc21 761204146 FMYRPRQSVRYOLU-AWNIVKPZSA-N 292.313 3.535 30 20 CHED CC(=NOCC(F)F)c1ccc(F)cc1C(F)(F)F 863108649 VUZAACHKFKNAAO-UHFFFAOYSA-N 285.187 3.850 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)Nc1sccc1C#N 931845566 ONPAOAPZJMRZAW-UHFFFAOYSA-N 299.399 3.982 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 935412955 VYTKAGUGXYKTNN-DJIMGWMZSA-N 287.403 3.625 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)CCc1ccc(F)cc1 865082403 RHTWHKVYKDLNJC-CQSZACIVSA-N 290.382 3.545 30 20 CHED CCN(CC)c1ccc(/C=N/[C@H](C)c2ccc[nH]2)c(O)c1 760227955 CFXBENNFIKJEOO-KZKLBEMASA-N 285.391 3.747 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)ncn3C)s1 761199989 ICIJIPGZYGCFMI-FNORWQNLSA-N 282.368 3.839 30 20 CHED CCc1ccc(C=NNc2ccc(Cl)c(C(=O)O)c2)o1 760219929 SVAVDBVMOVLNCL-UHFFFAOYSA-N 292.722 3.640 30 20 CHED C=CCN(Cc1cc2ccccc2nc1OC)C(C)C 768546725 CYOPMZMMBVPFCD-UHFFFAOYSA-N 270.376 3.640 30 20 CHED COc1cc2c(cc1/C=C\C(=O)c1occc1C)O[C@@H](C)C2 769784515 XUYWTLBMEMUHOR-RXNFCKPNSA-N 298.338 3.816 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)c1cccc(F)c1 767978135 NNJCARKKVLQOGS-UHFFFAOYSA-N 297.329 3.984 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(N2CCCC2=O)cc1 769986276 HSJRNDJBPSSBPS-HNNXBMFYSA-N 286.419 3.820 30 20 CHED CC(=NOCC(F)(F)F)c1cc2ccccc2o1 764846360 GQFPUYWZSQBPKF-UHFFFAOYSA-N 257.211 3.736 30 20 CHED Cc1cc(OCc2ccc3c(c2)CCC3)ccc1C#N 1559406308 KZHUZAIBAFNZGE-UHFFFAOYSA-N 263.340 3.934 30 20 CHED CC#CCCCC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 767090734 CTFKGJRVDBDJCN-UHFFFAOYSA-N 294.738 3.689 30 20 CHED CSc1ccc(/C=C/C(=O)OC2(CC#N)CCC2)s1 860744984 IXJKBGXZCVGAHZ-HWKANZROSA-N 293.413 3.863 30 20 CHED CCCc1ccc(OC(=O)C(C#N)(CC)CC)cc1 860593199 BUELVULHYOKEHL-UHFFFAOYSA-N 259.349 3.874 30 20 CHED C[C@@H](C=NNc1ccc2ccccc2n1)CCC#N 765992842 HFJPALFBEFOHMJ-GFCCVEGCSA-N 252.321 3.572 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1ccco1 764991711 VBOCZROYPXVBTF-AWEZNQCLSA-N 265.397 3.935 30 20 CHED C=CC[C@H]1N(C(=O)COC2(C)CCC2)CCCC1(C)C 767228482 NRESTPJWWHTXIE-CQSZACIVSA-N 279.424 3.539 30 20 CHED C#C[C@@H](C)N(C)CC/C=C\c1ccc(Br)cc1 769978406 XYMNMJMPEPYTIR-SCXUMTSISA-N 292.220 3.806 30 20 CHED CCCn1nc(C)c(C=NNc2c(C)cccc2F)c1C 769841060 SREINJWBSRWRJE-UHFFFAOYSA-N 288.370 3.803 30 20 CHED CCOc1ccc(NCc2ccc(C#N)cc2OC)c(C)c1 766722658 DNPVZWPAHLTEQA-UHFFFAOYSA-N 296.370 3.886 30 20 CHED Cc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)ccc1C#N 766490210 HMZXQARXNABITE-ALCCZGGFSA-N 279.343 3.540 30 20 CHED C#CCOc1ccc(CNC2CCC3(CC2)CC3)cc1 766212172 ATBZXLXRGMWFPP-UHFFFAOYSA-N 269.388 3.511 30 20 CHED CC(=NOC1CCOCC1)c1ccc(-c2ccncc2)cc1 774441490 MNAAZKWKBICXBC-UHFFFAOYSA-N 296.370 3.668 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccc(F)nc2)c1 777466061 OJIBJWADRBQRFL-FNORWQNLSA-N 255.292 3.734 30 20 CHED N#Cc1cccc(NN=Cc2cscc2Cl)c1 771877667 VUKGDBCANARLSB-UHFFFAOYSA-N 261.737 3.719 30 20 CHED FC(F)(F)c1cccc(NN=C2CCCOCC2)c1 770599587 UFMAZCPSYGXCEC-UHFFFAOYSA-N 272.270 3.674 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc2ncccc2c1 773162510 UZYBEXABINEENR-SXGWCWSVSA-N 297.317 3.599 30 20 CHED C=CCCC(CC)=NNc1cccc(C(=O)OC)c1 779826234 ISSRFUJASVCITF-UHFFFAOYSA-N 260.337 3.617 30 20 CHED C=C(C)[C@H](N[C@@H](C)C[C@H]1CCOC1)c1ccc(F)c(F)c1 775559438 ZBVSMQWLWUFMFO-AHIWAGSCSA-N 295.373 3.987 30 20 CHED CCc1cccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 1124673774 VFSHYQOWGFRVAX-AWEZNQCLSA-N 292.382 3.938 30 20 CHED C=CCC[C@H](/N=C\c1ccc(O)c(O)c1O)c1ccccc1 771836094 JTFVNMXEDDOJKU-CCRNYGKSSA-N 297.354 3.930 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1ccc(C#N)cc1 15144753 INJFUEFPEFTBEC-GFCCVEGCSA-N 268.385 3.739 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)Sc1ccccn1 1120813695 KTMASPMBFSWFMI-ZIAGYGMSSA-N 290.432 3.519 30 20 CHED CCCCC[C@H](C)CC(=O)N1CCC(CC#N)CC1 782052766 FSWSNBCHHZLFND-AWEZNQCLSA-N 264.413 3.745 30 20 CHED Cc1cc(COC(=O)c2cc(F)ccc2F)ccc1C#N 788888686 BWAKBNIAOYCOFO-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 788222670 JXHJHIWJAWNKDB-KBPBESRZSA-N 295.338 3.895 30 20 CHED C=C1CCC(C(=O)Nc2sc(C)c(C)c2C#N)CC1 887644231 RZNLHDQSXNHQKO-UHFFFAOYSA-N 274.389 3.922 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)/C(F)=C/C1CCCCC1 1123337432 QNURJRKHVZFWOK-ODUNQGDFSA-N 289.354 3.513 30 20 CHED CC(C)[C@@H](F)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 784507156 RIJIDQKDMKDFDM-BXKDBHETSA-N 294.326 3.606 30 20 CHED CCCCCCCCC[C@@H](C)CC(=O)N1CC[C@H](O)C1 787410046 IEXWDQZSIQUNOP-CVEARBPZSA-N 283.456 3.747 30 20 CHED C/C=C(\CC)C(=O)N(CCC#N)CC(CC)CC 788842977 XKXVPCLHGFCAHO-VGOFMYFVSA-N 250.386 3.521 30 20 CHED C[C@H](OC(=O)C12CCC(CC1)C2)c1ccc(C#N)cc1 784060139 UDCGXKJQTVJMMD-POZPTJLLSA-N 269.344 3.743 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1ccc(CC#N)cc1 1127713691 KRAJFQDZJHXUFD-ZDUSSCGKSA-N 295.338 3.679 30 20 CHED CCOC(=O)[C@@H]1CCC(=NN[C@H]2CCCC2(C)C)C[C@H]1C 782287723 NPFLSSYUOGEWGZ-YUELXQCFSA-N 294.439 3.510 30 20 CHED C[C@@H]1Cc2cc(/C=C3/CCc4scnc4C3=O)ccc2O1 899387523 ODTUBTKWJZQXOB-VPMLRQHESA-N 297.379 3.679 30 20 CHED COc1cc(NN=C(C)c2ccc(N)cc2)ccc1Cl 788468545 WFYIWALDDPRHHW-UHFFFAOYSA-N 289.766 3.767 30 20 CHED CCN(C(=O)/C=C\c1ccccc1C#N)c1ccccc1C 892852652 DXFMBOFAHNVCJL-SEYXRHQNSA-N 290.366 3.933 30 20 CHED CC(=NNC1CCCCC1)c1nc2c(s1)CCCC2 786042942 DIXIDYNOEKLSOH-UHFFFAOYSA-N 277.437 3.668 30 20 CHED Clc1cncnc1NN=C1CC[C@H]2CCCC[C@@H]2C1 780282859 JMYQYZBZJKFCKA-GHMZBOCLSA-N 278.787 3.888 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NN[C@@H](CO)c1ccccc1 788459256 DLBFRAPBNOWMOK-KSSFIOAISA-N 294.398 3.530 30 20 CHED C=C1CC(c2noc(C(F)(F)c3ccc(C)cc3)n2)C1 896884239 OPCHYWCUXNBMNL-UHFFFAOYSA-N 276.286 3.952 30 20 CHED C=C(Br)CN(CC)c1cccc(F)c1 389279582 QVNMVOFVTJZTSU-UHFFFAOYSA-N 258.134 3.561 30 20 CHED O=C1c2ccccc2CN1N=CCC1CCCCCC1 799113564 QVFRZSWEHPVYIN-UHFFFAOYSA-N 270.376 3.989 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C\C(=O)c1ccccc1 794926196 JDKYIHHPBCNNDE-HJWRWDBZSA-N 280.323 3.898 30 20 CHED COc1ccc(C)cc1C(C)=NNc1ncccc1C 790185592 GWGWBOJLSISEPF-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(-c2cccs2)nc1C 791202350 LHSNVNVEBBJUCK-CYBMUJFWSA-N 298.411 3.650 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(N(C)C)cc1 793160652 CHUXVRJAWSRVKU-UHFFFAOYSA-N 288.782 3.637 30 20 CHED COCCCON=Cc1cc(Cl)c2ccccc2c1O 795044951 SPPGDIKGBQMVBJ-UHFFFAOYSA-N 293.750 3.586 30 20 CHED Cc1ccc2cc(C=NNc3ncccc3F)ccc2n1 794984214 JJVCLXBBELUTII-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC(C)(c2ccccc2)CC1 791065698 WJLOWWFWAWVPNA-KRWDZBQOSA-N 298.430 3.552 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CC1CC(F)(F)C1 1338030771 HMQQYFWVRKJHHH-UHFFFAOYSA-N 284.693 3.586 30 20 CHED C=C(Cl)CNC1(c2ccc3c(c2)OCCO3)CCCC1 1168666380 JMPZKGHQSQBTND-UHFFFAOYSA-N 293.794 3.569 30 20 CHED C=CC[C@@H](C)NCc1cc(Cl)c2c(c1)OCCCO2 134750133 GTUKPKXXPQBSQP-LLVKDONJSA-N 281.783 3.556 30 20 CHED CSc1ccccc1C(=O)Nc1ccc(F)cc1C#N 135158912 LSAZEXRTAOBGLP-UHFFFAOYSA-N 286.331 3.672 30 20 CHED Cc1cc(F)ccc1NC(=O)CC#Cc1ccccc1 1319123575 LFUGXSWYLXDLRE-UHFFFAOYSA-N 267.303 3.514 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(-c2ccccc2)cc1 1319446350 ORRSFNGAQUHJCK-UHFFFAOYSA-N 289.378 3.839 30 20 CHED CSCC(=NNCc1ccc(F)cc1)c1ccccc1 1319376860 GOMRKTDIAOSVEX-UHFFFAOYSA-N 288.391 3.683 30 20 CHED CCOc1ccccc1C=NOCc1ccccc1F 1317701971 ZKQAAMVSAXMGKY-UHFFFAOYSA-N 273.307 3.775 30 20 CHED C=CC1CCN(Cc2cnc(C(C)(C)C)s2)CC1 93359285 VOSYJRKYAAWDJG-UHFFFAOYSA-N 264.438 3.839 30 20 CHED N#Cc1cc(F)c(NCCCC(F)(F)F)c(F)c1 97987323 GJXPWJMYPHYITC-UHFFFAOYSA-N 264.197 3.591 30 20 CHED C=C(C)COc1cccc(NCc2cccnc2N(C)C)c1 1327140716 ZCAHRINTAHGDKQ-UHFFFAOYSA-N 297.402 3.715 30 20 CHED N#Cc1ccnc(/C=C/C=C\c2ccc(F)cc2F)c1 1326683337 BQNXWHDFFHJUFI-HSFFGMMNSA-N 268.266 3.958 30 20 CHED C=C(Br)CN[C@H](C)c1ccccc1SC 194883830 WIIRKEVBKCKAJM-SNVBAGLBSA-N 286.238 3.968 30 20 CHED N#CCc1cccc(N[C@H]2CCSc3ccc(F)cc32)n1 1324272276 NERGSBLFBIMHAL-AWEZNQCLSA-N 299.374 3.936 30 20 CHED CCc1cc(C(=O)Nc2ccccc2C#N)sc1C 68233424 LXVSKKSOWQTKAZ-UHFFFAOYSA-N 270.357 3.743 30 20 CHED CCCCCCCCN1CC[C@H]([C@H]2CCOC2)C1 750253172 XDGGJHBSKJKIIV-HOTGVXAUSA-N 253.430 3.705 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1ccc(OC)c(OC)c1C 1337503442 RGWLBHISWRMFEK-CYBMUJFWSA-N 291.391 3.546 30 20 CHED CN(CCCCC#N)c1ccc(Br)cc1 723910922 YUJPLVDXASAJMH-UHFFFAOYSA-N 267.170 3.579 30 20 CHED C=CCOc1cc(OC)ccc1-c1nnc([C@@H](C)CC)o1 1258029101 HOBUKZTUDLELEV-NSHDSACASA-N 288.347 3.824 30 20 CHED Cc1cc(SCc2cnc(Cl)cn2)ccc1C#N 1189581868 BUMHVOHZERQITQ-UHFFFAOYSA-N 275.764 3.602 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)CC#Cc1ccccc1 1256639050 NUQVAENVJWBSNF-MRXNPFEDSA-N 283.415 3.855 30 20 CHED N#CC1CCC(CNc2cc(C3CC3)nc(C3CC3)n2)CC1 1333717226 LTUMBNIILIWSSS-UHFFFAOYSA-N 296.418 3.973 30 20 CHED Cc1ccc(C=NNc2ccc(C(C)(C)C)nn2)cc1C 1251930378 CWOLLCQFSVZLTG-UHFFFAOYSA-N 282.391 3.837 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1 1336239113 UKYJAUWZZKBQQV-OAHLLOKOSA-N 296.370 3.912 30 20 CHED CC[C@@H](C[C@H](C)CC)NCCc1ccc(C#N)cc1 1258779228 BBQYDRBBEKMZID-PBHICJAKSA-N 258.409 3.905 30 20 CHED CCCCCCCNC(=O)N1CC2CCC1CC2 1191095501 CDRLEXXWOHKDPE-UHFFFAOYSA-N 252.402 3.541 30 20 CHED CCOCc1ccc(N[C@H](C)CC(C)(C)C#N)cc1 1333653004 DPQOXUHXKCSARE-CYBMUJFWSA-N 260.381 3.963 30 20 CHED CCCC1(c2nnc(COc3ccccc3C#N)o2)CCC1 1346600466 CJGIYCBESOQLMH-UHFFFAOYSA-N 297.358 3.742 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)CCCF)c1cccs1 1345145950 BFXFRIVOOBVHBO-GWCFXTLKSA-N 269.341 3.632 30 20 CHED C=C(Cl)Cn1c(N2CC[C@H](CC)C2)nnc1C(C)(C)C 1359156999 VYOBISLHJUGRHH-LBPRGKRZSA-N 296.846 3.564 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H](C)c1ccccc1F 1354365440 UWYLRWQVJHHTSW-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED CCc1ccc(F)cc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 1436159889 KRTUDXSMPITYPR-HNNXBMFYSA-N 288.366 3.542 30 20 CHED CC[C@H](CC(=O)Nc1cc(C#N)c(F)cc1F)C(C)C 1288003429 QIVUSFMTOKIIOG-SNVBAGLBSA-N 280.318 3.847 30 20 CHED Cc1cc(C)c2cc(C(=O)OC3(C#N)CCC3)sc2n1 1517212585 RVARKAYAZNLGCB-UHFFFAOYSA-N 286.356 3.516 30 20 CHED Cc1c(F)cccc1C(=O)N1CCCc2cc(C#N)ccc21 1522776688 DRDPOXJHESOIER-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=CCCCCCCCN[C@@H](C)C1CCOCC1 810243832 VKVDPNZUUUCNEY-HNNXBMFYSA-N 253.430 3.918 30 20 CHED Cc1cc2c(NC(=O)[C@@H]3CCC(C)(C)C3)n[nH]c2cc1C#N 1452826950 RNTHKIDFBHLVFW-LLVKDONJSA-N 296.374 3.508 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(COC)cc1 1520259328 ZILMVHLPIXPMTA-INIZCTEOSA-N 288.391 3.796 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCC[C@@H]2C(=O)O)c(F)c1 1601113580 NMTWLAQMNLWYHE-RYUDHWBXSA-N 293.363 3.680 30 20 CHED CC(C)c1ccc(CN(c2ccnc(C#N)n2)C2CC2)cc1 1472643860 VMWBUNPLFZZCPJ-UHFFFAOYSA-N 292.386 3.641 30 20 CHED Cc1ccc(SCC(=O)c2cccc(C#N)c2)s1 1473045586 MRZLOQPDSDFAAS-UHFFFAOYSA-N 273.382 3.903 30 20 CHED Cc1cc(Sc2cc(C)c(C#N)cn2)ccc1C#N 1472814099 ZQRSVMPCKLMHMK-UHFFFAOYSA-N 265.341 3.593 30 20 CHED COc1cccc(CSc2cc(C#N)ccn2)c1Cl 1472978700 VEIQWKSKPHKHKK-UHFFFAOYSA-N 290.775 3.908 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)CCC(C)C)c1 1476739851 UPQCPPUQORBXDQ-CYBMUJFWSA-N 273.380 3.813 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1Nc1ccccc1 1632423547 AWDGXDWVMKMRJD-CYBMUJFWSA-N 279.343 3.918 30 20 CHED CCCC[C@@H](NC[C@H](O)c1cccc(C#N)c1)C1CCC1 1645234691 NPGLRSNQGWQPMR-MSOLQXFVSA-N 286.419 3.540 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CCC[C@@H](C)C1 1652159092 UCZOPQZFQQNFAI-OCCSQVGLSA-N 258.365 3.948 30 20 CHED C=C(Cl)CN1CCN([C@H](CC)c2ccccc2)CC1 1652587633 MYSHNPHVSVQTST-MRXNPFEDSA-N 278.827 3.508 30 20 CHED N#Cc1ccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1F 1583081622 XYTYGFYTTBHRMM-KBPBESRZSA-N 286.350 3.852 30 20 CHED CCO[C@H]1C[C@H](N(C)CC2(CC#N)CC2)C12CCCCC2 1652614840 SBWLPGWJFUBHDW-HOTGVXAUSA-N 290.451 3.740 30 20 CHED Cc1cc(C)cc(C[S@@](=O)Cc2ccccc2C#N)c1 106183315 JOAFKTFUDNDZLE-FQEVSTJZSA-N 283.396 3.624 30 20 CHED C=CCCC1(C(=O)O)CCN(Cc2csc(C)c2)CC1 1776169865 BHHVMFSGWLZKCS-UHFFFAOYSA-N 293.432 3.690 30 20 CHED CSc1cccc(/C=C\c2nc(C(=O)O)ccc2C#N)c1 1777406323 MECSZZJFXLWIEC-ALCCZGGFSA-N 296.351 3.544 30 20 CHED C=CCCCCN=c1c(C(=O)O)c[nH]c2c(C)c(C)ccc12 1776174021 BCUQRNMALWUEHZ-UHFFFAOYSA-N 298.386 3.740 30 20 CHED CC(=NNc1ccc(C(=O)O)nc1)c1cccc(C(C)C)c1 1776071611 KAPDAIXIKXCAQD-UHFFFAOYSA-N 297.358 3.739 30 20 CHED C=CCc1cccc(CN2CC3(CCC3)C[C@H]2CC(=O)O)c1 1776187404 UIOXKGGVEAVLDX-QGZVFWFLSA-N 299.414 3.634 30 20 CHED C=CCC(CC=C)C(=O)NCCc1cc2ccccc2o1 150806498 JHWSLJRXRBGPJV-UHFFFAOYSA-N 283.371 3.860 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCc2cc(Br)ccc21 161672875 FVAOTUVLYNZMOU-QMTHXVAHSA-N 280.209 3.991 30 20 CHED CC(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl 162916328 SOHPENLLYRVLNQ-HNNXBMFYSA-N 262.784 3.832 30 20 CHED CC(C)(CCC#N)CNc1cccc(C(=O)N2CCCC2)c1 160062634 WJIZUNBWMAKSLK-UHFFFAOYSA-N 299.418 3.664 30 20 CHED CC#CCCNc1ncc(C(F)(F)F)cc1Cl 166269205 BAYFORMGLCXPOE-UHFFFAOYSA-N 262.662 3.579 30 20 CHED C=CCCSCC(=O)c1cc(C)n([C@@H](C)COC)c1C 151976485 RMFLYRIYQCGPNJ-ZDUSSCGKSA-N 295.448 3.804 30 20 CHED CC(=O)Nc1ccc(C)cc1NCCCC(C)(C)C#N 153790362 IAQKEACWHNKILJ-UHFFFAOYSA-N 273.380 3.695 30 20 CHED N#Cc1cccc(CNc2cccc(OCCF)c2)c1 152079721 XFNHSJHSPHOUGO-UHFFFAOYSA-N 270.307 3.519 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 152043660 MVMAAQMDTINXPS-VWYCJHECSA-N 281.758 3.663 30 20 CHED CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H](C)CC#N 153674805 JTMUKMVNKWGBMT-JTQLQIEISA-N 293.798 3.888 30 20 CHED C=CCN(C)C(=O)N[C@H](CC)c1cccc(Cl)c1 153875292 CFWIZQAAVGHWLD-CYBMUJFWSA-N 266.772 3.619 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 155733736 QKOJLUAHVBJHKJ-GOSISDBHSA-N 298.430 3.918 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@@](C)(C#N)CC)cc1 157932277 GKIJJXWRWKQGQE-CXAGYDPISA-N 272.392 3.551 30 20 CHED C#CCCCCNC(=O)NC(C)(C)c1cccc(Cl)c1 154988716 HPZUWVCIHQHKLE-UHFFFAOYSA-N 292.810 3.678 30 20 CHED Cc1cc(C)c(CN(CCC#N)Cc2cccnc2)cc1C 159015885 HADVUXPKNUJZTN-UHFFFAOYSA-N 293.414 3.923 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1cccc(C#N)c1)C2=O 208310028 KPUAAMYRSLSJPS-MHWRWJLKSA-N 289.334 3.779 30 20 CHED C#Cc1cccc(CNC2CCC(C(F)F)CC2)c1 825227754 ZZPZBRYJCIMMJQ-UHFFFAOYSA-N 263.331 3.581 30 20 CHED CS[C@H]1CCCCN(c2c(F)cc(C#N)cc2F)C1 154653531 HBCDDJUFEYMZBK-NSHDSACASA-N 282.359 3.558 30 20 CHED N#Cc1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)cc1 281432908 PKHDJTLMOHMTSE-LLVKDONJSA-N 275.258 3.511 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 179783314 UCGGGTFYHMWWTN-SNVBAGLBSA-N 296.754 3.723 30 20 CHED CC[C@@H](CC#N)NC(=O)CCSc1ccc(C)c(C)c1 183914646 WPBCJJIHESLDKR-AWEZNQCLSA-N 290.432 3.594 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)CCC(C)(C)C)n1 308169700 PFCKYOABHKLXRJ-LLVKDONJSA-N 260.385 3.537 30 20 CHED CC(C)(C#N)CCCCN1CCC2(CC1)CC2(F)F 404884968 ICMUSXCZVCCSDY-UHFFFAOYSA-N 270.367 3.828 30 20 CHED C[C@H](C#N)CNC(=O)c1sc2cc(F)ccc2c1Cl 609523934 AKBLQQSTFOBARP-SSDOTTSWSA-N 296.754 3.583 30 20 CHED COc1ccc(CN(C)Cc2sccc2C)cc1C#N 340127935 OQIHSRIVPPZFTQ-UHFFFAOYSA-N 286.400 3.569 30 20 CHED C=CCC(F)(F)C(=O)N(CCC)Cc1ccccc1 814870375 ZMMZJDTUFAXVRW-UHFFFAOYSA-N 267.319 3.637 30 20 CHED CCCCCCCCN1C[C@H](C(=O)O)CC[C@@H]1C 397022512 IKQDUGNKBQGBEC-UONOGXRCSA-N 255.402 3.532 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnc(Cl)c(Cl)c1 785856402 OWNLKYSQNZMWDM-SNVBAGLBSA-N 285.174 3.569 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccccc2F)cc1[N+](=O)[O-] 7745600 XWWUWJHPVOVHQN-CMDGGOBGSA-N 285.274 3.938 30 20 CHED N#Cc1ccccc1OCc1csc(-c2ccco2)n1 25462692 FMCPNSYPYUWNRF-UHFFFAOYSA-N 282.324 3.854 30 20 CHED CCOc1ccccc1CNc1cccc(OCC#N)c1 37069483 UUKACOXWAGDADA-UHFFFAOYSA-N 282.343 3.600 30 20 CHED C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C#N)cc1 37284501 IHFGCHCUKCDRQJ-KBPBESRZSA-N 275.355 3.842 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)cc2)s1 37748316 CGAQXRUWZMAQLB-LBPRGKRZSA-N 256.374 3.779 30 20 CHED CCCc1ccc(NC[C@@H](O)c2ccc(C#N)cc2)cc1 37887555 NBJFZVAETCWUSG-GOSISDBHSA-N 280.371 3.656 30 20 CHED C[C@@H]1c2ccsc2CCN1CCOc1cccc(C#N)c1 42248180 IJODKQUUAUGLDV-CYBMUJFWSA-N 298.411 3.618 30 20 CHED N#Cc1ccc(NC(=O)N(Cc2ccccc2)C2CC2)cc1 45029747 GQXRGRRYGVYLBA-UHFFFAOYSA-N 291.354 3.755 30 20 CHED CCc1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)s1 48336444 ILHDVVMXSHMACV-UHFFFAOYSA-N 287.344 3.702 30 20 CHED N#Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1Cl 49963894 YJVUAZNNHHYRNN-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C=CCN1CCC(c2c(C)[nH]c3ccccc23)CC1 52458317 XPNKPYLKFDRJPV-UHFFFAOYSA-N 254.377 3.842 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCSc1ccccc1 63960494 GIZPOKIUCRZPKO-UHFFFAOYSA-N 296.395 3.988 30 20 CHED COc1ccccc1/C=C1\COc2c(C)ccc(C)c2C1=O 72031063 NJAXXDAHEJXGPP-XNTDXEJSSA-N 294.350 3.971 30 20 CHED C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(C#N)cc1 72936878 GGLBXQJZHMBXOF-CQSZACIVSA-N 294.354 3.602 30 20 CHED N#CCSCCCSC1=Nc2ccccc2C1 75076680 LAUIRKAVCPOEOZ-UHFFFAOYSA-N 262.403 3.653 30 20 CHED N#Cc1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)cc1 76934871 NQQZXGLVRBNRHL-UHFFFAOYSA-N 296.757 3.631 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CS[C@H](C)c1cccs1 77960296 OXXVHVLURWINNV-RISCZKNCSA-N 296.461 3.597 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(C)oc2C)s1 79263146 PSQTUAAVVLNVOG-UHFFFAOYSA-N 274.345 3.644 30 20 CHED COc1ccc(CNCc2ccccc2Cl)cc1C#N 87822306 SXELLTUGJGGFDF-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(-c2ccccc2)ccc1O 93090653 LTDIFJQTUZXYSX-CQSZACIVSA-N 280.371 3.793 30 20 CHED C[C@@H](CNc1cnccc1C#N)Sc1ccccc1 94169809 AEKUTJADEDMFCO-LBPRGKRZSA-N 269.373 3.546 30 20 CHED CC(C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 96592926 XGAVASHHBBFICA-CYBMUJFWSA-N 287.363 3.729 30 20 CHED CCCc1cc(C(=O)N(CC)C[C@H](C)C#N)sc1C 97727888 MVBVCVFSMHQUMF-LLVKDONJSA-N 278.421 3.631 30 20 CHED N#CCCN(CC1CC1)Cn1c(=S)oc2ccccc21 103459874 NOISCMHYQFIASG-UHFFFAOYSA-N 287.388 3.547 30 20 CHED Cc1nn(-c2ccccc2)c(CSCC(C)C)c1C#N 104972768 OBGNRTJGVDJXJK-UHFFFAOYSA-N 285.416 3.942 30 20 CHED C=CCOc1cccc(NC(=O)c2sccc2OC)c1 105954937 RLTHQMHCJUZEOY-UHFFFAOYSA-N 289.356 3.574 30 20 CHED CC[C@](C)(NC(=O)c1ccc(C#N)cc1)c1ccccc1 107514001 YCIZFPRYMUXFBV-SFHVURJKSA-N 278.355 3.613 30 20 CHED N#Cc1ccc(NCc2cccc3cccnc23)c(F)c1 112012597 CXYMGLNCRUCZKM-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)CC1CC1 112752026 ZQEMZBFUFWJFMO-CQSZACIVSA-N 272.392 3.573 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)c1ccc(C)c(Cl)c1 113069275 LGWFAABCLCWAPT-GFCCVEGCSA-N 281.783 3.592 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 116853103 WMDQKFJWUAKZRV-QWRGUYRKSA-N 283.824 3.901 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H](C)c1ccc(F)cc1 120463745 IHEOVCSPMVUVLN-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1ccc(O)c(F)c1)C2=O 120774200 CCOORBIDFLBLTI-MDWZMJQESA-N 298.313 3.752 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1cc(C)sc1C 125269196 GXIONCUSTPUIOT-RYUDHWBXSA-N 281.421 3.523 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 127610756 DGFXYCCTAQJXOG-HZMBPMFUSA-N 296.823 3.629 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CC)c1ccc(Cl)cc1 128422558 NODFSCMLZVURLD-GXFFZTMASA-N 266.772 3.665 30 20 CHED C=CCCN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 133011639 VLXQMASWJIUPGU-UHFFFAOYSA-N 287.382 3.656 30 20 CHED CCCCCCC[S@@](=O)Cc1cccc2c1OCCO2 133280615 YVRQQPXKXQLFNY-FQEVSTJZSA-N 296.432 3.677 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](CCC=C)c1ccccc1 133917799 OUTNLGLSZKKESP-DOTOQJQBSA-N 287.403 3.791 30 20 CHED C=CC1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 151306289 MSXBKMPULQVPRE-QGZVFWFLSA-N 297.402 3.639 30 20 CHED N#Cc1ccc(C(=O)Nc2cccnc2-c2ccccc2)cc1 152828169 PFNOAQAIRNINJB-UHFFFAOYSA-N 299.333 3.873 30 20 CHED COc1ccc(OC[C@@H](C#N)CCC#N)c2ccccc12 153802061 CJMAPSASKLEMSD-CYBMUJFWSA-N 280.327 3.671 30 20 CHED C=CCN(C)Cc1c(Cl)cccc1N1CCCC1 154785662 OJCWDVUJWYVDIS-UHFFFAOYSA-N 264.800 3.558 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 156219185 DJTGJOBBLXFFEV-CQSZACIVSA-N 292.810 3.633 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(C)cc(N(C)C)cc1C 156709518 GCKODKYJSPQYPT-UHFFFAOYSA-N 287.407 3.575 30 20 CHED O=C(/C=C/c1ccsc1)c1cnn(Cc2ccccc2)c1 157325077 PPQNLANXLIUOSO-VOTSOKGWSA-N 294.379 3.889 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(F)c(F)c1F 157820815 VCLKLNPZOCRJSO-UHFFFAOYSA-N 292.260 3.596 30 20 CHED Cc1cc(F)ccc1OC(=O)CCc1ccc(C#N)cc1 165161378 GPPGLYJYXKPANK-UHFFFAOYSA-N 283.302 3.544 30 20 CHED Cc1nc(C)c([C@H](C)N(C)Cc2cccc(C#N)c2)s1 171589069 ADVHISSMLGFKSL-LBPRGKRZSA-N 285.416 3.825 30 20 CHED C[C@@H](C#N)CNC(=O)c1cc(-c2ccccc2)ccc1Cl 171845049 AHKKLALJMIBHNA-LBPRGKRZSA-N 298.773 3.896 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(CC#N)c1 172465852 YBBHRUWRBLFNEM-UHFFFAOYSA-N 270.376 3.571 30 20 CHED C=CCOCCCC(=O)Oc1cc(Cl)ccc1Cl 173137758 IMNGBJWRTKESTH-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C=CCCCC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 175485452 BNLHMQLIBYKPHB-UHFFFAOYSA-N 289.766 3.821 30 20 CHED CCCCCCCN(C)Cc1ccc([S@](C)=O)cc1 178437500 SQLMKWLDHCZQLP-IBGZPJMESA-N 281.465 3.826 30 20 CHED C[C@@H](NCCCCC#N)c1cccc(OC(F)F)c1 178644341 LVFQJXXSGKEBFY-LLVKDONJSA-N 268.307 3.632 30 20 CHED C=C[C@H](CC(=O)N(C)C[C@H](C)CC)c1ccccc1 179387797 MRZMRDGLRRGEOS-HUUCEWRRSA-N 259.393 3.851 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccn1C 181112457 JVXOTGNTOHUVOQ-GDBMZVCRSA-N 289.423 3.616 30 20 CHED CC(C)(C)N1CCC(N[C@H](CCC#N)c2ccccc2)CC1 181574535 LQWUZGDGXQHPMZ-GOSISDBHSA-N 299.462 3.884 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(C#N)cn1 182406940 NBQKEMZVUZMOKO-AWEZNQCLSA-N 293.370 3.551 30 20 CHED CSCCCCCCNCc1cccc(C#N)c1 184179869 GYVKHOBXANTAEC-UHFFFAOYSA-N 262.422 3.571 30 20 CHED C#CCOc1ccccc1NCc1csc(CCC)n1 184631495 LWIZNXDXHYKWTE-UHFFFAOYSA-N 286.400 3.720 30 20 CHED CCOCc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 185745417 NAFKHZSWWJQORF-UKRRQHHQSA-N 258.365 3.717 30 20 CHED C[C@H](NCC[C@@](C)(O)c1ccccc1)c1cccc(C#N)c1 187893391 LWWCVSPYSGOKLN-HNAYVOBHSA-N 294.398 3.507 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCc2ccccc2C1 187927765 CHAAMTQBTFYCCI-SJLPKXTDSA-N 271.404 3.605 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cc(-c2ccccc2)on1 187931284 UXFGYWLPPYZPFG-KRWDZBQOSA-N 284.359 3.560 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)cc2F)c(F)c1 189190771 NCXRJHMIYTXEDT-UHFFFAOYSA-N 292.716 3.780 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1C[C@@]1(C)C(C)C 189933916 KDHJGNPYTKSIDM-BBRMVZONSA-N 264.413 3.599 30 20 CHED C#CCCCC(=O)NC(C)(C)c1cccc(Cl)c1F 190716678 NYAOOIPVSLLTSX-UHFFFAOYSA-N 281.758 3.634 30 20 CHED N#CCCC[S@@](=O)Cc1cc(Cl)ccc1Cl 190805151 VYUATVSALZTEHX-MRXNPFEDSA-N 276.188 3.546 30 20 CHED Cc1c([C@H](C)NCc2cccc(C#N)c2)cnn1C(C)(C)C 191163225 ZQDNPZLQKCJNQU-ZDUSSCGKSA-N 296.418 3.669 30 20 CHED C=CCCC(=O)Nc1ccc(N2C[C@@H]3CC[C@@H]2C3)cc1 191736135 LSJXPZHZUQXGRO-CZUORRHYSA-N 270.376 3.580 30 20 CHED C=CCC1(C(=O)Nc2cccc3cccnc23)CCC1 191847992 FIJUCLFJGJQFPA-UHFFFAOYSA-N 266.344 3.920 30 20 CHED C#CCCCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 192097782 CWLFONHLAITOCT-SFHVURJKSA-N 299.414 3.942 30 20 CHED N#CCC[C@@H](NC(=O)c1ccoc1Cl)c1ccccc1 192345045 QUPORFWIDZJFGX-CYBMUJFWSA-N 288.734 3.708 30 20 CHED COc1cc(C)c(N[C@@H]2CCC[C@H](C#N)C2)cc1F 193304433 XXZMYQGWVYTWAQ-NWDGAFQWSA-N 262.328 3.637 30 20 CHED COc1ccc([N+](=O)[O-])cc1O[C@@H](C)c1ccc(C#N)cc1 194624959 QGVIFFVEKALGNL-NSHDSACASA-N 298.298 3.615 30 20 CHED Cc1c(Cl)cccc1C(=O)N(CC#N)C1CCCC1 195206419 DIZRATMLRWKWFK-UHFFFAOYSA-N 276.767 3.557 30 20 CHED COCCOc1cccc(/C=C\C(=O)c2ccccc2)c1 207184695 ZBFBELPYUZVXJO-KHPPLWFESA-N 282.339 3.608 30 20 CHED CCc1ccccc1CNc1nc(Cl)c(C#N)s1 234136522 CXGLXHAQQYGRQG-UHFFFAOYSA-N 277.780 3.843 30 20 CHED COc1ccc(CNCC(C)(C)CC(C)C)cc1C#N 237236410 IZCATUWIJUXQES-UHFFFAOYSA-N 274.408 3.729 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 253386150 VUWBDEFQJIUNLT-SECBINFHSA-N 288.174 3.913 30 20 CHED COc1cccc(/C=N\Cc2ccc(Cl)s2)c1O 255294223 NKLQFFGBXJWEFC-CHHVJCJISA-N 281.764 3.735 30 20 CHED CC(C)c1cccc2c1OCC/C(=C/c1ccnn1C)C2=O 255626847 ZSIDQRICRWFJMK-QBFSEMIESA-N 296.370 3.592 30 20 CHED CCCOc1ccc(OCCOc2ccc(C#N)cc2)cc1 255935909 VLPGKLFGUDOMAB-UHFFFAOYSA-N 297.354 3.805 30 20 CHED Clc1ccc(C#CCN2CCC[C@H]2c2ccc[nH]2)cc1 267342496 DXKWRVFAAZGGPA-KRWDZBQOSA-N 284.790 3.857 30 20 CHED CC(C)CC1(C(=O)Nc2cccc(OCC#N)c2)CCC1 268267587 GNELXWNXFWHREJ-UHFFFAOYSA-N 286.375 3.744 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(CC#N)cc1 270421999 USBXKPQMQJJRNP-YOEHRIQHSA-N 284.403 3.793 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 271432115 DWFOJVJLJKZGOR-KGLIPLIRSA-N 289.423 3.832 30 20 CHED Clc1cccc(C#CCS[C@@H]2CCCOC2)c1 272397093 DPPOROOHZSHIGB-CQSZACIVSA-N 266.793 3.604 30 20 CHED C=CCN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 273328297 YKCZZHMYDPQCQT-UHFFFAOYSA-N 287.256 3.635 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3ccccc3OC)C2)CCC1 276663542 QDXUUMJBQBFSCQ-HNNXBMFYSA-N 299.414 3.758 30 20 CHED CCCCCCCC[S@@](=O)c1ccc(CO)cc1 276678431 SIQUMNUFGZNJOF-GOSISDBHSA-N 268.422 3.647 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 276914353 LKWPSLJLKYWMFU-SRCQZFHVSA-N 293.382 3.620 30 20 CHED N#Cc1ccc(C(=O)Nc2nc(C3CCC3)cs2)cc1 277728048 PAQSBPYOHYMWHF-UHFFFAOYSA-N 283.356 3.535 30 20 CHED C=CCOc1cccc(NC(=O)C(C)(C)CSC)c1 281744074 BLRPXKLZMHCMBG-UHFFFAOYSA-N 279.405 3.579 30 20 CHED CC1(C)[C@H](NCCCCC#N)C[C@H]1Oc1ccccc1 284299627 KSLGPTUZIFOXHY-HZPDHXFCSA-N 272.392 3.516 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1 285363976 VTIRPWOAVKRLNU-BONVTDFDSA-N 277.318 3.656 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1csc(C)c1 296292483 DEJIDQJUEKVXMI-YDHLFZDLSA-N 265.422 3.688 30 20 CHED C[C@H]1CCCC[C@H]1OCCNc1ccc(C#N)cc1 301085556 JAAYHAGTJGVSRB-XJKSGUPXSA-N 258.365 3.565 30 20 CHED N#Cc1ccc(N(Cc2ccccc2)CC2CCC2)nc1 301120009 XHUCZPPNKCNGBH-UHFFFAOYSA-N 277.371 3.760 30 20 CHED Cc1cc(C)cc([C@@H](C)Nc2cccc(C#N)n2)c1 301285241 QHMFNGRMSQFITA-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#Cc1ccc(N(Cc2ccc(F)cc2)CC2CC2)nc1 301292463 NZTLZFWFKWABGG-UHFFFAOYSA-N 281.334 3.509 30 20 CHED CCCOc1cc(C)ccc1CNc1ccc(C#N)cn1 301554741 IEHRGGUHJDUVNL-UHFFFAOYSA-N 281.359 3.663 30 20 CHED Cc1cc2cc(Nc3cc(C#N)ccc3[N+](=O)[O-])ccc2[nH]1 302208510 LJEHUDQZPNLWAH-UHFFFAOYSA-N 292.298 4.000 30 20 CHED C=C(C)[C@@H](Nc1ncccc1C#N)c1ccc(F)c(F)c1 302454693 UGHJPMYXFNBWGH-OAHLLOKOSA-N 285.297 3.961 30 20 CHED C=CCNC(=O)[C@H](C)SCc1ccc(C(C)(C)C)cc1 302811416 QHYLHSINHPERSU-ZDUSSCGKSA-N 291.460 3.908 30 20 CHED CCc1ccccc1C(=O)Nc1cccc(CC#N)c1 313443574 KGSPDOVEGFSCBK-UHFFFAOYSA-N 264.328 3.567 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 332735341 XVPJRJONCUITMN-MPTYRVRUSA-N 276.424 3.647 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cc(F)cc(Cl)c2)n1 336042537 IQWYKWLDCXKDMB-LLVKDONJSA-N 294.738 3.734 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](C)N(C)c2ccccc2)n1 338996770 JYCWGAYBAOXRII-HNNXBMFYSA-N 294.402 3.507 30 20 CHED CCc1nc(C(C)C)ccc1CN1CCC(F)(C#N)CC1 339187168 WQNBNFGKWAPXSM-UHFFFAOYSA-N 289.398 3.595 30 20 CHED CC1(C)CCC(CNC(=O)NCc2ccc(C#N)cc2)CC1 340112322 XLTXGHJVPDKAEA-UHFFFAOYSA-N 299.418 3.574 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)o2)n1 341178322 VDUKQITXXOBWOW-JQWIXIFHSA-N 271.320 3.885 30 20 CHED CC1CCC(NC(=O)[C@@H](C)SCCC(C)(C)C#N)CC1 342026591 RRZOGEHDUUZCKM-ROKHWSDSSA-N 296.480 3.743 30 20 CHED C[C@H](C#N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 347081999 XLGCPJIDYRFYDH-SECBINFHSA-N 297.185 3.644 30 20 CHED N#CCCCCNCc1c[nH]nc1-c1ccc(Cl)cc1 348850497 XZKRLRHTUWWETF-UHFFFAOYSA-N 288.782 3.514 30 20 CHED C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1C 350140528 UQUVYGBCJNKEDQ-AWEZNQCLSA-N 284.407 3.521 30 20 CHED C[C@@H](CCC#N)N1CCC[C@@H](c2ccccc2)CC1 351322906 DCVFCPWKCLGEHJ-DOTOQJQBSA-N 256.393 3.948 30 20 CHED CN(Cc1csc(-c2ccsc2)n1)CC(C)(C)C#N 354037689 JPSYPQMDNASDPS-UHFFFAOYSA-N 291.445 3.853 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C2CC2)cn1 355779809 HBRLIUDUCIYMHM-UHFFFAOYSA-N 285.391 3.551 30 20 CHED N#Cc1ccc(Sc2nc(C3CC3)ns2)c(F)c1 356870918 WVJVVIGGQACSMV-UHFFFAOYSA-N 277.349 3.577 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H](F)C2)c1 357682424 RFLQSDXQMKLICG-SNVBAGLBSA-N 272.245 3.515 30 20 CHED CCc1cnccc1[C@H](C)NCc1ccc(C#N)cc1F 358515720 NKBGQYSIKOOBLZ-LBPRGKRZSA-N 283.350 3.506 30 20 CHED C=C(CC)CSCC(=O)N(CC(C)C)C(C)C 358640801 YQPBGRKQQUTMLH-UHFFFAOYSA-N 257.443 3.579 30 20 CHED C[C@H](C[C@@H]1CCCO1)N[C@@H]1CCCCc2cc(C#N)ccc21 360841924 URHIDZSNUNNJDJ-DKSSEZFCSA-N 298.430 3.873 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H]1c1ccccc1 361386410 ZZTITDJOZHXCBT-KRWDZBQOSA-N 266.319 3.644 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 362692053 NZNSKMRUIHXYQC-NWDGAFQWSA-N 289.404 3.634 30 20 CHED N#Cc1ccc(NC(=O)N2CCCC23CCCCC3)cc1 372287431 JGNRMBRHIZKCBK-UHFFFAOYSA-N 283.375 3.889 30 20 CHED C=C(C)C[C@H](C)C(=O)N1[C@@H](c2ccccc2)COC[C@H]1C 373359530 GKXKSTQLRXQWPG-ZMSDIMECSA-N 287.403 3.577 30 20 CHED C[C@@H](CNCc1cccc(C#N)c1)C1CCCCC1 381883571 PCPNXPILRAIARX-AWEZNQCLSA-N 256.393 3.864 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(c1)CNC2 386686688 QXNUAIPPYOYQEQ-UHFFFAOYSA-N 260.381 3.589 30 20 CHED C=CC[C@H](CC)Nc1cc(OC)c([N+](=O)[O-])cc1F 393744781 KSBGGDPORPKJKM-VIFPVBQESA-N 268.288 3.509 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnc(Cl)c2ccccc12 393815822 ABJPZUMVWVCIMZ-LLVKDONJSA-N 288.778 3.973 30 20 CHED C[C@H](CNc1c(C#N)nnc2ccccc12)CC(F)(F)F 397013065 ZCSMMUSOBDGICC-VIFPVBQESA-N 294.280 3.502 30 20 CHED CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410963728 GKOSEWKAUADQFX-OLZOCXBDSA-N 276.767 3.637 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCCc2cc(C#N)ccc21 411002512 PMIIOXMWESGZEW-QAPCUYQASA-N 282.387 3.520 30 20 CHED C[C@@H](CCC#N)N1CCC[C@H](Cc2ccccc2)C1 411261935 RXDIGSXBHXRWRX-DOTOQJQBSA-N 256.393 3.633 30 20 CHED CC(C)OCCCOc1cc(Br)ccc1C#N 413005004 AWIGVFKIUIRISA-UHFFFAOYSA-N 298.180 3.515 30 20 CHED C[C@H](SCCC#N)C(=O)N[C@H](C)c1ccc(Cl)cc1 413013953 PKQYYTGALKWSOW-MNOVXSKESA-N 296.823 3.553 30 20 CHED CC(C)(CC#N)CN[C@@H](Cc1ccccc1)C1CC1 414166956 OLYXWMXXWXZCIC-INIZCTEOSA-N 256.393 3.537 30 20 CHED COc1ccc([S@](=O)CCC2(C#N)CCCCC2)cc1 414248657 WOWZEQZKFWNKSP-HXUWFJFHSA-N 291.416 3.667 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ncc(CC)s1 414543073 YRPWHGTYLRKIHQ-OAHLLOKOSA-N 286.444 3.983 30 20 CHED CN(CCCSCC#N)[C@H]1CCC[C@@H]1C(C)(C)C 419339367 ZZFMEZBHCGHZRC-KBPBESRZSA-N 268.470 3.780 30 20 CHED COc1cc(C#N)ccc1CSCCOCC1CCC1 419646010 NEWSWPMTJMRWQO-UHFFFAOYSA-N 291.416 3.617 30 20 CHED 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3.784 30 20 CHED CC[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)C1CCCCC1 612119245 VUFPTOKOJHYIHE-WBVHZDCISA-N 291.439 3.681 30 20 CHED C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@@](C)(C#N)C1 612157781 DAAGNENXHVRZST-WBMJQRKESA-N 294.345 3.975 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(F)c2SC)C1 617779655 GELKVVSOHIJBPX-GFCCVEGCSA-N 293.407 3.976 30 20 CHED Cc1ccc(N[C@@H]2CCc3cc(C#N)ccc32)c([N+](=O)[O-])c1 618693976 VVKIJISJOROKKJ-OAHLLOKOSA-N 293.326 3.874 30 20 CHED CC(C)[C@@H]1C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CS1 618831485 UDSROCUPFYOIQV-OIISXLGYSA-N 286.444 3.665 30 20 CHED Cc1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1 619749915 IEWPHYIWEYBFNU-UHFFFAOYSA-N 299.761 3.842 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)o1 619755144 ULZNDQNWEGJBGR-NSHDSACASA-N 274.751 3.964 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](Oc3ccccc3)C2)CCCC1 620259711 LSAUITKXYMAIPS-QGZVFWFLSA-N 299.414 3.803 30 20 CHED C=CCC[C@H](CC)NC[C@@H](OC)c1cccc(OC)c1 624031461 IZGYULBWNYPELF-DOTOQJQBSA-N 277.408 3.717 30 20 CHED C=CCCc1ccccc1N[C@@H](C)Cc1cnccn1 639155386 PAZZSZVLWRHFJE-AWEZNQCLSA-N 267.376 3.638 30 20 CHED C=CCCn1cc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)nn1 653675849 VNEOLDFNHOLHAF-CABCVRRESA-N 290.455 3.501 30 20 CHED C=CCC[C@@H](CC)NCc1cc(COC)cs1 658208075 FVHVEKSNSAYLIR-CYBMUJFWSA-N 253.411 3.729 30 20 CHED C=CCCNC(=O)N(CC)[C@H](CC)c1ccccc1 661572621 UIXDNEAKXJDZBG-OAHLLOKOSA-N 260.381 3.745 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2ncc(C)s2)CCCC1 664335861 YDADBVJOZCFFKC-LBPRGKRZSA-N 293.436 3.701 30 20 CHED CC1(C)CN(CC#Cc2ccc(F)cc2)[C@H]1c1cccnc1 664824696 XHHFUWDEXZDWKM-SFHVURJKSA-N 294.373 3.655 30 20 CHED C=CCCNC(=O)N(CC)Cc1ccc2ccccc2c1 665947345 JAJCQXBPFLVMOJ-UHFFFAOYSA-N 282.387 3.947 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccccc1OC(C)C 666339738 MRDLLVNCYYDJTG-UHFFFAOYSA-N 296.432 3.745 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccn(CC)n1 667698496 DSOLFBLWWNFDHP-UHFFFAOYSA-N 290.411 3.503 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)sc1C 678881819 UWOMDVQXQYUSQG-SNVBAGLBSA-N 251.395 3.840 30 20 CHED C=CCC[C@@H](C(=O)N1CC=CCC1)c1ccccc1 681669522 SDYCRGLJVPWSST-MRXNPFEDSA-N 255.361 3.525 30 20 CHED C=C(C)[C@H](CO)N1C[C@@H](c2ccccc2)c2ccccc21 683528209 YPOROLWUAAMQNP-HKUYNNGSSA-N 279.383 3.576 30 20 CHED CCCCCCCCCOC(=O)[C@H]1CCCOC1 727903117 FWGDNNVUJHBESV-AWEZNQCLSA-N 256.386 3.707 30 20 CHED C=CCCOC(=O)c1cnn(Cc2ccccc2)c1CCC 729072755 YCNYTHJXOCPLLO-UHFFFAOYSA-N 298.386 3.617 30 20 CHED Cc1cccc2c1CCC2=NNc1cnc2ccccc2n1 729145023 GQCFZGCGROJHRO-UHFFFAOYSA-N 288.354 3.701 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2ccsc2)c1 730149398 HPQCSZVSYWUICX-PLNGDYQASA-N 269.325 3.547 30 20 CHED CC(C)NC(=S)Nc1ccccc1S[C@@H](C)CC#N 731322349 XXJUHCIHECBFGM-NSHDSACASA-N 293.461 3.776 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 735535661 KAVIRJUFHMCQQK-MNOVXSKESA-N 266.287 3.578 30 20 CHED CC(C)(C(=O)OCc1ccccc1C#N)c1cccc(F)c1 736874932 QSWNINCLFATMHP-UHFFFAOYSA-N 297.329 3.718 30 20 CHED CCCCCCCCC/C=C/C(=O)N[C@@H](C)C#N 737819036 QKLJSNYKGKDTOE-GETOMWPZSA-N 250.386 3.712 30 20 CHED COc1cccc(NN=Cc2nccc3ccccc23)c1 740760437 CTJLRSGFVWZNDB-UHFFFAOYSA-N 277.327 3.689 30 20 CHED CO[C@@H](C/N=C\c1ccccc1O)c1ccc(Cl)cc1 741758147 RCNQZUAELYHUSI-PMFHANACSA-N 289.762 3.852 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/CCC1CC1 743044241 HMMLFHSDCKEYKR-VIZOYTHASA-N 258.148 3.918 30 20 CHED C#C[C@H](C)OC(=O)c1cc2c(s1)-c1ccccc1CC2 744180700 UVLMFCSWTGPIPC-NSHDSACASA-N 282.364 3.692 30 20 CHED C=C(Cl)COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 747514145 CAMFWHRZIDVFJM-NEPJUHHUSA-N 271.143 3.739 30 20 CHED N#Cc1ccc(NN=C/C=C/c2ccc(F)cc2)cc1 747752741 CFLLAENDVRYSAT-CAZBMPHGSA-N 265.291 3.808 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cc(C#N)cs1 748441479 ZKMIVKBOHWTXBM-XQRVVYSFSA-N 283.352 3.833 30 20 CHED N#Cc1ccc(OCCCN2CC[C@@H]2c2ccccc2)cc1 748818987 ACQVVGJVJAOGJE-LJQANCHMSA-N 292.382 3.774 30 20 CHED CN(C(=O)/C=C\c1ccc(Cl)cc1)c1ccc(C#N)cc1 749150375 KZOGGHGTAYTAIV-WDZFZDKYSA-N 296.757 3.888 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)Cc2c(F)ccc(F)c21 749588952 GRFSZLYCZYALOK-WEVVVXLNSA-N 291.684 3.836 30 20 CHED COc1ccc(NN=Cc2cc(C)ccc2C)cc1 750923307 WSAWIQQBCPWFPX-UHFFFAOYSA-N 254.333 3.758 30 20 CHED CN1CCc2cc(/C=C3\CCc4ccccc4C3=O)ccc21 751525613 JKYNPUJUULASOW-GHRIWEEISA-N 289.378 3.891 30 20 CHED C(=NNCCCc1ccccc1)[C@H]1CCOc2ccccc21 752164068 AUTVHWQROVNUGX-QGZVFWFLSA-N 294.398 3.761 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@H]1c1ccccc1Cl 753259386 STEBRXCPZKZOAT-WFASDCNBSA-N 290.794 3.598 30 20 CHED C#C[C@H](CC)NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 753266548 RPCAZNPYRKGLMQ-LLVKDONJSA-N 299.201 3.547 30 20 CHED C[C@@H]1CC/C(=C/C(=O)Nc2sc3c(c2C#N)CCC3)C1 753624090 RUDRXYRRDVTVEW-UBYNWHESSA-N 286.400 3.793 30 20 CHED C=C(Br)COC(=O)CCCSC(C)(C)C 754280122 QCBMCAGTKPSZIF-UHFFFAOYSA-N 295.242 3.750 30 20 CHED C#C[C@@H](CC)NC(=O)CCC(=O)c1ccc(CCCC)cc1 754357524 MUHQDPBHHDIRBP-KRWDZBQOSA-N 299.414 3.520 30 20 CHED C#C[C@@H](CC)NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 754358402 ZICDFAWNAFIHLX-GJZGRUSLSA-N 286.419 3.593 30 20 CHED CCCCCCCCNC(=O)Cc1nc(C)sc1C 754855278 UVSLZROJNDBYHV-UHFFFAOYSA-N 282.453 3.779 30 20 CHED CC(=NNC(=S)Nc1ccc(C)cc1C)c1ccoc1 755880311 QTAQBTVWPVMJDI-UHFFFAOYSA-N 287.388 3.607 30 20 CHED C=CCCOCCNCc1cc(-c2ccccc2)ccc1O 756989800 GVSWYUMJTSIFMK-UHFFFAOYSA-N 297.398 3.742 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@H](CC)C1)c1ccccc1 757063565 CZOAUQAPRHJAIP-DOTOQJQBSA-N 284.403 3.583 30 20 CHED CCC1(C(=O)OCc2ccccc2C#N)CCCC1 757128096 UWMMOQDFSUIEGI-UHFFFAOYSA-N 257.333 3.572 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c(O)c1 757474488 BUHUORUZCDOSKJ-CLFYSBASSA-N 283.283 3.505 30 20 CHED C#CC[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 757578360 KLEDBYHZPXRFKN-GOSISDBHSA-N 288.350 3.662 30 20 CHED CC(CC1CCC1)=NN=c1cc[nH]c2ccccc12 758371038 SIAYCCWCIYLPMZ-UHFFFAOYSA-N 253.349 3.635 30 20 CHED FC(F)CON=C1CCCC[C@@H]1c1ccccc1 758910055 HHRRQQMOXLBXHV-GFCCVEGCSA-N 253.292 3.982 30 20 CHED CC(C)CC1CCN(C(=O)Nc2cccc(C#N)c2)CC1 760480700 ORNHEGMEHBBHQH-UHFFFAOYSA-N 285.391 3.848 30 20 CHED N#Cc1cc2ccccc2nc1NCCC[C@@H]1CCCCO1 760600969 CZXMHCUGMROSAR-INIZCTEOSA-N 295.386 3.868 30 20 CHED COc1cc(F)ccc1NN=C(C)c1cc(F)ccc1O 761884481 GXNDJXQTVLGUOW-UHFFFAOYSA-N 292.285 3.515 30 20 CHED CS[C@@H](C)CCC(=O)O[C@@H](C#N)C1CCCCC1 762929004 OLGMIPWYAGGKFC-AAEUAGOBSA-N 269.410 3.534 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccsc1 764434090 WKSHDRPIRLZAER-NSCUHMNNSA-N 250.344 3.714 30 20 CHED CCC[C@H](C(=O)[C@@H](C#N)c1nc2c(C)ccnc2[nH]1)C(C)C 764655253 JGWVZXZIGRKUTO-QWHCGFSZSA-N 298.390 3.515 30 20 CHED COC(=O)c1coc(C(=O)/C=C/C(C)=C\c2ccccc2)c1 766503100 UENJUKZMPSXODP-WOKGKLDWSA-N 296.322 3.909 30 20 CHED C#CCCCOc1ccc(NC(=O)OC(C)(C)C)cc1 766748427 ANIHJHCPFBFQNW-UHFFFAOYSA-N 275.348 3.826 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2cccc(C#N)c2C)o1 770334373 NWVOOIYLDYDVPU-GFCCVEGCSA-N 268.316 3.510 30 20 CHED C=CCCCCNC(=O)N[C@@H](CC)c1ccccc1OC 770404786 QCEQJTMLTRZDFO-HNNXBMFYSA-N 290.407 3.802 30 20 CHED Fc1ccc(C=NNCc2ccccc2)c(C(F)(F)F)c1 771885307 RMINBXCPWJYXPO-UHFFFAOYSA-N 296.267 3.968 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1nccnc1C(C)C 773091094 MYOFICNYUMHKAH-ZIAGYGMSSA-N 272.396 3.990 30 20 CHED CCOc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)cc1 776359620 LPZFTJVZKXIRKO-INIZCTEOSA-N 287.359 3.715 30 20 CHED C=CCSc1ccccc1C(=O)O[C@H](C)CCOC 777343831 HZUOAVBULYUFCR-GFCCVEGCSA-N 280.389 3.547 30 20 CHED C(CCc1ccc2c(c1)CCO2)=NOC1CCCCC1 777456812 HMMUHPDBONHOEM-UHFFFAOYSA-N 273.376 3.889 30 20 CHED COC[C@H](C)NN=C(C)c1ccc(-c2cccs2)cc1 777903112 XGZNUEXFTTVDCE-LBPRGKRZSA-N 288.416 3.764 30 20 CHED COC[C@H](C)NN=Cc1cccc(-c2ccc(C)cc2)c1 777903672 VNAHTOOSEJNKBJ-HNNXBMFYSA-N 282.387 3.620 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCSc2ccccc21 779746302 YLONCUWCYDOKMY-OAHLLOKOSA-N 287.428 3.923 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)c1c(F)cccc1F 779812012 WCVYFOYVCUJLAR-LBPRGKRZSA-N 279.330 3.726 30 20 CHED C=CCCCCCOC(=O)c1ccc(C(C)=O)s1 782151389 DLCNYKRKTXLTPG-UHFFFAOYSA-N 266.362 3.854 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1sccc1Cl 782354762 QHAUDDIXXSCKLE-POHAHGRESA-N 286.743 3.766 30 20 CHED Cn1cc(C=NNc2ccccc2)c(C2CCCCC2)n1 783773097 MFIKDWIFCILDMT-UHFFFAOYSA-N 282.391 3.914 30 20 CHED C=CCCCCCOC(=O)Cc1nc(C)sc1C 784195324 NVLJAHQWWSVPOV-UHFFFAOYSA-N 267.394 3.592 30 20 CHED C[C@H](OC(=O)c1cnccc1Cl)c1cccc(C#N)c1 784495384 SCRKYGOJATVPPW-JTQLQIEISA-N 286.718 3.525 30 20 CHED C=Cc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1 785630961 PJDXSQLHAYPGQY-MRXNPFEDSA-N 269.344 3.959 30 20 CHED Fc1cc2nc(NN=C3CCC34CCCC4)[nH]c2cc1F 788710022 UMNGTNRTBNNJTD-UHFFFAOYSA-N 290.317 3.963 30 20 CHED C#CCC1(C(=O)N(C)[C@@H](C)CCSCC)CCCCC1 789647631 IZKSMCWOSXQYBP-HNNXBMFYSA-N 295.492 3.950 30 20 CHED Cc1ccc(OC(=O)/C=C/c2ccccc2C#N)cc1F 789659371 CSCJCJFDNAFYHW-VQHVLOKHSA-N 281.286 3.625 30 20 CHED CC#CCCCC(=O)OCCSCc1ccccc1 790664864 VRGRZBUIUKLJHY-UHFFFAOYSA-N 276.401 3.657 30 20 CHED CC[C@H](C)CON=Cc1csc(-c2ccccn2)n1 793144671 FMQYSGJBNOCGFW-NSHDSACASA-N 275.377 3.602 30 20 CHED CCCC(=NNc1ncccc1F)c1ccccc1 794983997 GZYZGQCWKDKSOP-UHFFFAOYSA-N 257.312 3.837 30 20 CHED C=C[C@@H](CC(=O)OCc1cncc(F)c1)c1ccccc1 795567357 MDRRRCDHMHEVIR-AWEZNQCLSA-N 285.318 3.624 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(F)cc(F)c1 796462422 BUSMKJFBCBVEDI-UHFFFAOYSA-N 254.276 3.610 30 20 CHED C#C[C@@H](NC(=O)c1cc2c(ccc3ccccc32)[nH]1)C(C)C 799042806 PYLARBLPIGFBJX-MRXNPFEDSA-N 290.366 3.709 30 20 CHED Cc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1C#N 799761326 XBXDSQRSHDVXEU-UHFFFAOYSA-N 293.301 3.647 30 20 CHED CC(=NNc1ncccc1Cl)c1c(C)cc(C)cc1O 799876328 NOCKZCWQZWKWRG-UHFFFAOYSA-N 289.766 3.894 30 20 CHED C/C(C=NNCC(F)F)=C\c1ccccc1C(F)(F)F 799882582 WTRQZQSKQFJIQD-GPPDSXIPSA-N 292.251 3.949 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)c(OC)c1 799897114 MYRZWPYVAINLIA-SOFGYWHQSA-N 286.327 3.810 30 20 CHED C[C@@H](C=NNc1nnc(-c2ccccn2)s1)C(C)(C)C 800816952 SRYTWQBMNCFVTD-JTQLQIEISA-N 289.408 3.680 30 20 CHED C=C(C/N=C\c1cc(OC)ccc1O)c1ccccc1 806550233 JXTWGULXKVVRGO-PDGQHHTCSA-N 267.328 3.533 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2cccc(Cl)c2)c1 806558569 GMTIDKHEGJGIBY-BQYQJAHWSA-N 286.714 3.934 30 20 CHED CC[C@H]1CCC1=NNc1ccc(Cl)c(OC)c1 807984741 FBBIOQFPXMUMTJ-VIFPVBQESA-N 252.745 3.937 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2scc(C)c2C#N)o1 809005580 MBEGGIMJGBUWHF-JTQLQIEISA-N 274.345 3.572 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1ccc(C#N)s1)C2=O 809155875 HEXSXIQYMFLXHR-RMKNXTFCSA-N 299.326 3.590 30 20 CHED C=CCCCCOC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C 811012914 BVAPCXVZULEAJH-OLZOCXBDSA-N 266.381 3.527 30 20 CHED C(=NO[C@@H]1CCCCO1)c1ncc(-c2ccccc2)s1 811646083 KDXBEBOJSTYDBI-OAHLLOKOSA-N 288.372 3.687 30 20 CHED CC[C@H]1CCCC1=NN[C@@H](C)COc1ccccc1 811665749 UABFYBKPOHLDHE-KBPBESRZSA-N 260.381 3.610 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 812183207 FZWLYAAKILDXBM-KBXCAEBGSA-N 298.430 3.851 30 20 CHED C=CCCCCCCCNC(=O)N(CC)C1CC1 812495606 SEUSURKEFPVDBG-UHFFFAOYSA-N 252.402 3.707 30 20 CHED CCc1ccccc1NN=C1CC[C@H](CC(=O)O)[C@@H]1C 814802267 ZCIGCTIAHMHWDS-WCQYABFASA-N 274.364 3.538 30 20 CHED CCCC(=NN=c1cc[nH]c2ccccc12)c1ccccn1 814841880 YFYGAQWGTISAIJ-UHFFFAOYSA-N 290.370 3.668 30 20 CHED CC(C)c1cnc(C=NNc2c(F)cccc2F)s1 814852731 MMOLGLUHNCGPOH-UHFFFAOYSA-N 281.331 3.991 30 20 CHED CCCCCC[C@H](C)NN=C[C@@](C)(OC)C1CC1 814858980 KSRGYECTIBTSBI-DZGCQCFKSA-N 254.418 3.736 30 20 CHED N#Cc1ccc(NN=Cc2cccnc2Cl)cc1Cl 814902821 HKVFWXAOXKNOOW-UHFFFAOYSA-N 291.141 3.706 30 20 CHED C[C@H]1C[C@H](C(=O)O)CCC1=NN1CCC(C(C)(C)C)CC1 814913121 HIRWVZFYWRIUAX-QWHCGFSZSA-N 294.439 3.621 30 20 CHED CC(Cc1c(Cl)cccc1Cl)=NNc1cncnc1 814926949 QUHNRCSOWHUREQ-UHFFFAOYSA-N 295.173 3.814 30 20 CHED CCOc1ccc(NN=Cc2ccc(C)cc2)cc1 814984936 MPRYXVJXKDKVDM-UHFFFAOYSA-N 254.333 3.840 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)[C@@]2(C)CC2(F)F)s1 817735411 ZSGPFTBLWPITAV-AMIZOPFISA-N 298.358 3.662 30 20 CHED C[C@H](NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1ccncc1 819815095 LXVHYNPNOKOGJZ-AMMHQNNLSA-N 269.392 3.544 30 20 CHED C=CCC[C@H](CO)Nc1cc2ccccc2c(Cl)n1 829390443 JRQFAMAWBFMAMJ-GFCCVEGCSA-N 276.767 3.627 30 20 CHED CC(Cc1coc2ccccc12)=NOC1CCOCC1 834971985 JAVJSEBKHWYZJZ-UHFFFAOYSA-N 273.332 3.547 30 20 CHED CC(=NN[C@H]1CCOC1(C)C)c1c(C)oc2ccccc12 835021903 RRVFECGLSQIDHR-HNNXBMFYSA-N 286.375 3.622 30 20 CHED C[C@H](C#N)COC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 835238845 SBJAMEGSHDVEOF-FVQBIDKESA-N 271.360 3.663 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H]1CCCC[C@H]1SC(C)C 835284070 AIBURKAAJQKAMO-CBBWQLFWSA-N 298.448 3.574 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@]1(C)CC1(Cl)Cl 836390852 YBPQHQXLUOJPQE-JQWIXIFHSA-N 293.238 3.614 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cccc(C(F)F)c1 839037984 FESAJLGCTGCTCP-SNVBAGLBSA-N 252.260 3.583 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cccc(F)c2Cl)C1 839053364 LGTJLRXZDAZZPU-UWVGGRQHSA-N 281.714 3.718 30 20 CHED CCC(=NNc1oc(CC(C)C)nc1C#N)[C@@H]1C[C@H]1C 841621851 OEGIRYVAGNBPEU-GHMZBOCLSA-N 274.368 3.579 30 20 CHED CCCCCCCSC[C@@H]1CCNC(=O)CC1 842187429 WSNDVZWPCYMZIU-ZDUSSCGKSA-N 257.443 3.606 30 20 CHED C[C@@H](CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)C1CC1 842941238 HPBIRRRTIXEMMS-CABZTGNLSA-N 274.389 3.633 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CC1CCOCC1 847744764 WWTNFJOTHKKMSY-VNQPRFMTSA-N 280.408 3.727 30 20 CHED CC(C)c1ccccc1CN1CCC(CC#N)CC1 848902641 REPZCEBUANNSDY-UHFFFAOYSA-N 256.393 3.936 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCCOCc1ccccc1 849315627 BSHMWFWXPUSCOE-HNNXBMFYSA-N 296.370 3.606 30 20 CHED CCc1nc(C#N)cc(SCCSC(C)(C)C)n1 853547943 YCUZRJXQXWPKBV-UHFFFAOYSA-N 281.450 3.534 30 20 CHED N#CC[C@@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 853760217 BEDCXCJGCUSBAF-JTQLQIEISA-N 295.289 3.662 30 20 CHED Fc1ccccc1OCCON=Cc1ccc(Cl)cc1 854282931 AJAOLZOXFNUIQC-UHFFFAOYSA-N 293.725 3.909 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(F)c1SC 857637756 HZGCFHYMOOHEOB-UHFFFAOYSA-N 265.353 3.536 30 20 CHED C=C(C)[C@H](NC(=O)OCCC)c1ccc(F)c(F)c1 859112819 NOUWGUJMOBOCDC-ZDUSSCGKSA-N 269.291 3.718 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)OC1(C#N)CCC1 860594377 VRTMEVJPLQMILD-UHFFFAOYSA-N 281.311 3.858 30 20 CHED Cc1ccc([C@@H](C)C=NNc2ccc(C)cn2)cc1 863089434 ULHYOVSOLWYASW-AWEZNQCLSA-N 253.349 3.900 30 20 CHED C#CC[C@@H](CCOC)NC(=O)[C@@H](CC)CC1CCCCC1 863786514 BOOMUDIVVVKCGR-IRXDYDNUSA-N 293.451 3.528 30 20 CHED CN(C(=O)CCC1CCC1)c1ccc(C#N)c(Cl)c1 876167746 WOBSUCPYTUDYBQ-UHFFFAOYSA-N 276.767 3.755 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C)c(OC)c1C 878195066 MQCRGHBOTUJNEE-UHFFFAOYSA-N 261.365 3.853 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@H]2c2c(C)cccc2C)n1 882576279 HHHCDXQMLMLXGG-INIZCTEOSA-N 292.386 3.615 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(Cl)ccc1NC(C)=O 888576912 NPZLRDFWGPOTEC-UHFFFAOYSA-N 294.782 3.839 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1nn(C(C)C)cc1Cl 889565895 WKKPVVBVHZAVIW-UHFFFAOYSA-N 298.818 3.984 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cnn(C2CCC2)c1 899356659 PDXXQFQBDASHKF-AATRIKPKSA-N 272.373 3.874 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2C2CC2)nn1C 901556727 JKDHKJLVRFTDTG-MDZDMXLPSA-N 266.344 3.502 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)NCC(C)(C)C#N 903100325 NTTDXGAQYQTTQV-OAHLLOKOSA-N 262.372 3.532 30 20 CHED CCO[C@@H](c1noc(/C=C\c2ccccc2C#N)n1)C(C)C 904114903 FYFGKRYXMJJBCY-ZBTGYSDGSA-N 297.358 3.845 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)cc(Cl)n1 904679048 XXJKHJHAXJNRRF-UHFFFAOYSA-N 293.798 3.588 30 20 CHED Cc1nn(CC(F)(F)F)c(C)c1-c1cccc(F)c1C#N 904805246 NGBCTNIKBZITQN-UHFFFAOYSA-N 297.255 3.740 30 20 CHED CON=Cc1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1 912712868 HXCJHZREJMNYKJ-UHFFFAOYSA-N 283.327 3.503 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1cc(C)oc1C 915979512 VTPFFLDXMCUOPO-UHFFFAOYSA-N 278.302 3.688 30 20 CHED Cc1cc(C=NNc2ccccn2)c(C)n1Cc1ccco1 916273517 IBJJGEQBGIGPKA-UHFFFAOYSA-N 294.358 3.587 30 20 CHED Cc1ccc2c(C=NNc3nc4ccccc4[nH]3)c[nH]c2c1 917534727 XKEDZXAULKFXEQ-UHFFFAOYSA-N 289.342 3.799 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nc3ccc(F)cc3o2)C1 919853953 QRNFZQXCWNWXHV-SCZZXKLOSA-N 262.309 3.751 30 20 CHED COc1ccc(C)cc1C=NN[C@H](C)c1ccccc1 920383149 SWKXRTSIUZCAGR-CQSZACIVSA-N 268.360 3.688 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ccc(F)cc1 921251693 SPLOVERONKJGKV-UHFFFAOYSA-N 254.308 3.897 30 20 CHED COc1ccccc1/C=C1/Cc2c(F)cccc2C1=O 921263545 FYDRUIQPILWTDW-XFXZXTDPSA-N 268.287 3.657 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(C)n([C@H](C)CC)n1 935253266 WTHLUENWPUJTQW-DGCLKSJQSA-N 263.385 3.703 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H](C)CC1CCCCC1 1116433802 KHBXSHYTURDYIW-HIFRSBDPSA-N 264.413 3.647 30 20 CHED CCC(C)(C)Cc1nnc(-c2cccc(C#N)c2)o1 1118419031 JASGGYRMWRFQRI-UHFFFAOYSA-N 255.321 3.587 30 20 CHED Cc1ccc(CC(=O)Nc2sccc2C#N)cc1Cl 1124184661 IAZWCRCFKYZPCL-UHFFFAOYSA-N 290.775 3.763 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C2=CC[C@@H](C)CC2)cc1 1136505523 LYJRTZZVBQGRMI-CQSZACIVSA-N 282.387 3.988 30 20 CHED Cc1c(Cl)cc(NC(=O)c2ccc(C#N)[nH]2)cc1Cl 1141709811 MTKJRCMROQCRCZ-UHFFFAOYSA-N 294.141 3.754 30 20 CHED CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C)c(F)c1 1192881563 VYKXBQAKPLBLKC-XPKDYRNWSA-N 260.356 3.867 30 20 CHED CC[C@@H](Nc1cncc(C#N)n1)c1cccc(Cl)c1 1306982202 MMHZDENFIQLHBQ-CYBMUJFWSA-N 272.739 3.565 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2CS[C@@H](C(C)C)C2)c1 1308816471 AOUFHUZMICSDGR-LSDHHAIUSA-N 260.406 3.809 30 20 CHED Clc1ccc(-c2[nH]ncc2C=NNc2ccccn2)cc1 1317689370 JOYVKSKAGVMNGR-UHFFFAOYSA-N 297.749 3.571 30 20 CHED Cc1csc(CCC/N=C\c2cc(Cl)ccc2O)n1 1318207017 GUKLCOXDBVZMKZ-PXNMLYILSA-N 294.807 3.862 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(C)s1 1318930373 ZKRXIGCGKXDGNY-UHFFFAOYSA-N 288.420 3.980 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C/c1ccnn1C(C)C)C2=O 1321542426 LUUSIZIFZHPZGD-OJLMPMFISA-N 296.370 3.861 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccnc2N(C)C)s1 1323086327 DTBRRWHBKFWJSY-CLFYSBASSA-N 286.400 3.668 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(C(C)=O)cc1 1324709568 JNVXOPKXPXYWPW-UHFFFAOYSA-N 272.344 3.701 30 20 CHED CC(C)(C)c1ccc(NN=C2CCCc3occc32)nn1 1326234256 KSNAJCIAOAZPFQ-UHFFFAOYSA-N 284.363 3.520 30 20 CHED CCCCCC[C@H](C)NC(=O)c1csc(C#N)c1 1330516479 DWRYRUVDWLOEDK-NSHDSACASA-N 264.394 3.708 30 20 CHED C=C1CCC(C(=O)Nc2c(C)noc2C2CC2)CC1 1331297465 ZAUIVDZGRSVJSQ-UHFFFAOYSA-N 260.337 3.545 30 20 CHED CC[C@@H](CO)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1332822488 PGKJZXXCQUHOAU-LIRRHRJNSA-N 294.398 3.647 30 20 CHED Cc1ccc(C#N)nc1N1Cc2ccccc2C2(CCC2)C1 1333725231 KESNFWXHROFNDI-UHFFFAOYSA-N 289.382 3.704 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1CC1(C#N)CC1 1336267159 BBUFEOSMVTXVNK-GDBMZVCRSA-N 254.377 3.558 30 20 CHED C/C(=C\C(C)(C)C)C(=O)Nc1cnc(Cl)cc1C#N 1338911376 GXNQRFPQWLEWMW-RMKNXTFCSA-N 277.755 3.538 30 20 CHED C=CCC1(c2nnc(-c3cccc(C)n3)o2)CCCC1 1346664449 XNPBXACZOWWECL-UHFFFAOYSA-N 269.348 3.828 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 1347511950 OTIAFCLKHGGNLO-AWEZNQCLSA-N 268.360 3.739 30 20 CHED N#CCOc1ccc(NC(=O)c2cccc(C3CC3)c2)cc1 1348652464 RMHMVPVZQZSOCC-UHFFFAOYSA-N 292.338 3.719 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1csc(C#N)c1 1352772320 ITRVJTWQYYHBAE-KGLIPLIRSA-N 290.432 3.954 30 20 CHED CCCC[C@@H](CC)CCCN(C)c1nccnc1C#N 1458499623 WFWANIVGOLVAJY-CQSZACIVSA-N 274.412 3.781 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1nc(-c2ccccc2)cs1 1518562190 IKDKQZPVNWOHND-CYBMUJFWSA-N 299.399 3.574 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@H]3F)c2C#N)[C@@H](C)C1 1523484345 TYOSTIFJJWSQOR-ZOWUKKRWSA-N 292.379 3.602 30 20 CHED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1cccc(C#N)c1 1559277934 IIYKOLXNOQLHIE-MRVPVSSYSA-N 288.763 3.713 30 20 CHED Cc1cnc(OC(C)C)c(N[C@@H]2CCC[C@H](C#N)C2)c1 1560848499 JKHLXXXPZLCFMR-UONOGXRCSA-N 273.380 3.672 30 20 CHED C=CC(C)(C)CCCNc1ncc(C(=O)O)cc1Cl 1588677102 QOLRZLJIDFSSII-UHFFFAOYSA-N 282.771 3.838 30 20 CHED C=CCCCCCN[C@](CC)(C(=O)O)c1ccccc1 1588799820 KKQNTNVODSBAEN-KRWDZBQOSA-N 275.392 3.713 30 20 CHED CCc1ccsc1C(=O)Nc1cc(C#N)c(F)cc1F 1597366338 CRBOETFDELDBQZ-UHFFFAOYSA-N 292.310 3.713 30 20 CHED N#C[C@@H](c1ccccc1)N1CCCc2ccccc2CC1 1617969667 ZOMJFHRWHFTMAZ-IBGZPJMESA-N 276.383 3.742 30 20 CHED Cc1cc2c(NC(=O)[C@]3(C)CCC[C@H]3C)n[nH]c2cc1C#N 1640760901 WKTNRFGMBLFWBJ-PIGZYNQJSA-N 296.374 3.508 30 20 CHED CC(C)CCN(CCC#N)CCO[C@@H]1CCCC[C@@H]1C 1641932622 AWAYGCRMMCIOEQ-DLBZAZTESA-N 280.456 3.843 30 20 CHED COc1cccc(COc2ccc(C#N)c(F)c2)c1Cl 1652660783 ANBOHYIROCDMEQ-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CC(C)ON=Cc1ccc(-c2cccc(C(=O)O)c2)s1 1776077763 YGFRDWIAAQXLFL-UHFFFAOYSA-N 289.356 3.872 30 20 CHED C=CCCC1(C(=O)O)CCN(CC[C@H]2CC2(C)C)CC1 1776173155 HOVHUZUNRRXPDJ-AWEZNQCLSA-N 279.424 3.556 30 20 CHED C=CCN(Cc1ccc(C)cc1)Cc1cc(C(=O)O)c(C)o1 1776180152 OCHUFZVCZOYYBE-UHFFFAOYSA-N 299.370 3.783 30 20 CHED C=CCNC(=S)Nc1ccc(-c2csc(C)n2)cc1 6334842 ZKNSSAPZWLEDLP-UHFFFAOYSA-N 289.429 3.591 30 20 CHED C/C(=C/C(=O)N(CC#N)C1CC1)C12CC3CC(CC(C3)C1)C2 107347020 POEGJLHRNKKXTE-MLPAPPSSSA-N 298.430 3.664 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Cl)cc2cccnc12 55115714 OLLVDBROQUBWAR-UHFFFAOYSA-N 288.778 3.926 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2nc(OC)ccc2c1 105034073 DCLUHDPUJFTHHH-UHFFFAOYSA-N 299.374 3.673 30 20 CHED CCC(CC)(CNc1ccc(Cl)cc1C#N)OC 310966393 BTAXPGMKJFQGCR-UHFFFAOYSA-N 266.772 3.829 30 20 CHED COc1cc(C#N)ccc1COc1cccc2ncccc12 179481220 HMYWRBBMNCSPEW-UHFFFAOYSA-N 290.322 3.694 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(C#N)cc2F)C1 353700240 CHEJFHVECYXZPT-MRXNPFEDSA-N 260.356 3.709 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 50683176 JCOQFEGUZYVPEJ-LBPRGKRZSA-N 299.757 3.727 30 20 CHED C#CCCCCC(=O)Nc1cc(-c2ccc(C)s2)n[nH]1 179826699 OJSLGZNBHVLVRX-UHFFFAOYSA-N 287.388 3.579 30 20 CHED COc1ccc(CN[C@H](c2ccccc2)C2CC2)cc1C#N 172688606 GXFLKMOBIOIKLJ-LJQANCHMSA-N 292.382 3.808 30 20 CHED N#Cc1sc(Oc2cncc(Cl)c2)nc1Cl 309467254 SZEVWKKKMKDPQA-UHFFFAOYSA-N 272.116 3.509 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H](Cc2ccccc2)C1 301422871 OCLYNZCMRRVTMG-HNNXBMFYSA-N 280.346 3.766 30 20 CHED C=C(CC)CNc1ccc(Cl)c(F)c1N1CCOCC1 509502282 VFDDRNQMVCXRKT-UHFFFAOYSA-N 298.789 3.694 30 20 CHED CN(C)[C@H](CNc1ccc(C#N)cc1)c1ccccc1Cl 301073015 GHTSUBJGCFWSFK-QGZVFWFLSA-N 299.805 3.926 30 20 CHED CCCCCCCCC(=O)N(C)Cc1cc(C)on1 119904424 JZRADIRJLCPOKI-UHFFFAOYSA-N 266.385 3.692 30 20 CHED CN(C)Cc1ccc(NC2CCC(C)(C#N)CC2)c(F)c1 414496248 IGTTYIKFLDXFQN-UHFFFAOYSA-N 289.398 3.772 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1C 413813043 CJZKYUZCTLPXTJ-DOTOQJQBSA-N 286.419 3.758 30 20 CHED Cc1cnc([C@@H](NCc2ccccc2C#N)C2CC2)s1 179093507 IWGIQPVYKBJSSG-HNNXBMFYSA-N 283.400 3.564 30 20 CHED CC[C@H](C)C[C@H](CC)NCc1ccc(OCC#N)cc1 180559005 LTSXARYPTRWCMC-HOCLYGCPSA-N 274.408 3.893 30 20 CHED C[C@@H](Nc1nnc(C(F)F)s1)c1ccc(C#N)cc1 311490183 JLKIQQODXWKQIH-SSDOTTSWSA-N 280.303 3.520 30 20 CHED C=CCN(C(=O)c1cc(OC)cc(OC)c1)c1ccccc1 60525166 AXBYJWYYZAZDIR-UHFFFAOYSA-N 297.354 3.537 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1ccoc1C 173041880 VMOUSMRLMGFNFG-UHFFFAOYSA-N 283.331 3.534 30 20 CHED C=C(C)[C@H](NCCCCOC)c1ccc(F)c(F)c1 187777252 MNJAAJZTFSHCDO-HNNXBMFYSA-N 269.335 3.598 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CC)c1ccc(C)cc1 172080001 RBZYCXURZWMURQ-UKRRQHHQSA-N 260.381 3.710 30 20 CHED CC[C@@H](C#N)Sc1nnc(Nc2ccccc2F)s1 127065468 TXBAYYBYQSYHLF-QMMMGPOBSA-N 294.380 3.815 30 20 CHED C=CCOCCCC(=O)N1CCCC[C@@H]1CCC(C)C 128333979 OYTWNHCICHYCPV-MRXNPFEDSA-N 281.440 3.787 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2ccccc2C#N)cc1 120892025 QURIBZLYMCLOKB-FMIVXFBMSA-N 276.339 3.520 30 20 CHED CC(C)COc1cccc(CNc2cccc(C#N)n2)c1 301295515 XFXGSTXFOYGUIS-UHFFFAOYSA-N 281.359 3.600 30 20 CHED C[C@H](CCNC(=O)C1(C#N)CCCC1)CC(C)(C)C 188860503 FVGZREPQADFLKR-CYBMUJFWSA-N 264.413 3.649 30 20 CHED Cc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] 72047957 ABSFLDHTITYZOX-VOTSOKGWSA-N 299.330 3.577 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CC(CC)CC 126170762 JPMBLRNTHRLRCW-UHFFFAOYSA-N 284.403 3.899 30 20 CHED CSCC[C@H](C)N(C)Cc1ccc(Cl)cc1C#N 187262803 MIAOWAWPYISOKR-NSHDSACASA-N 282.840 3.785 30 20 CHED CCO[C@@H]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C 411784642 BZQDMRMMGAYCRD-JKSUJKDBSA-N 278.440 3.597 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCC[C@H](C)C1 411075015 XDJILOLLCUEPGJ-FZMZJTMJSA-N 284.359 3.526 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1sc(C)nc1C 123119929 ANNVZUOFGGLTEE-OAHLLOKOSA-N 299.399 3.512 30 20 CHED N#Cc1ccc(SCCOCC2CCCC2)cc1 412996772 VTWPDCBWVDTMDL-UHFFFAOYSA-N 261.390 3.857 30 20 CHED CC(C)Oc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 185724622 OFHQJWWJUHXVDV-UKRRQHHQSA-N 258.365 3.968 30 20 CHED CCCCCC(=O)Nc1sc(CC)cc1C#N 79262998 GPNBUYUAYDFWTA-UHFFFAOYSA-N 250.367 3.701 30 20 CHED C[C@@H](CN1CCC(C#N)CC1)c1cccc(Cl)c1 187085996 NMUFQEPECRXIEO-LBPRGKRZSA-N 262.784 3.679 30 20 CHED CCC[C@H]1C[C@@H](C(=O)N(CCC#N)C(C)(C)CC)CCO1 189908450 NPRYSLNETCNNHR-GJZGRUSLSA-N 294.439 3.513 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2ccccc2o1 182598963 GEDNTPITVPZKKU-LBPRGKRZSA-N 257.333 3.907 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 180277714 COUAJUKRASMMDH-PBHICJAKSA-N 287.378 3.929 30 20 CHED Cc1cccc(N(C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 184735896 AYRLIKFGMMNHEC-HNNXBMFYSA-N 280.371 3.922 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 502735759 HOHOKLBHWJZVOO-OEUWWYETSA-N 284.403 3.808 30 20 CHED C=CC[C@H](CC)NCc1cn(-c2cccc(F)c2)nc1C 414443063 IANMWSMWSCIXSQ-INIZCTEOSA-N 287.382 3.764 30 20 CHED CCc1cc(C#N)ccc1OCCc1scnc1C 506677641 WJTAMFOHIZVQLG-UHFFFAOYSA-N 272.373 3.507 30 20 CHED CC[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccncc1 78306192 QUOMSLPXAULMMI-LBPRGKRZSA-N 272.739 3.565 30 20 CHED CCCCCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 183415065 RYPKGDXWLUYXTG-CYBMUJFWSA-N 293.407 3.506 30 20 CHED CN(Cc1ccccc1Cl)C(=O)Nc1cccc(C#N)c1 43330001 FGPAIIGTQLVGHX-UHFFFAOYSA-N 299.761 3.876 30 20 CHED C[C@@H](NCc1nc(C#N)cs1)c1ccc(C2CC2)cc1 418113151 IQVSZIKOJLKYHE-LLVKDONJSA-N 283.400 3.743 30 20 CHED COc1ccc(C#N)cc1CN1CCC2(CCCC2)CC1 130460101 WMFSMSFGYXLNLL-UHFFFAOYSA-N 284.403 3.723 30 20 CHED C=CCCC(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 188149837 IMVRPENBAGNNMM-UHFFFAOYSA-N 297.320 3.819 30 20 CHED N#Cc1cccc(CNC[C@H]2CCCc3ccccc32)c1 44862007 HVPIYMVEQWUIIL-GOSISDBHSA-N 276.383 3.768 30 20 CHED Cc1csc2ncnc(NCC#Cc3cccc(F)c3)c12 505726212 JWQFMCREAFIYSX-UHFFFAOYSA-N 297.358 3.602 30 20 CHED C[C@@H]1CCCC[C@H]1/N=C(/O)Nc1scnc1C1CC1 328914117 IQMVQFLPPFQGIJ-MWLCHTKSSA-N 279.409 3.925 30 20 CHED CC(C)(C#N)C(=O)Oc1ccc(Oc2ccccc2)cc1 49459070 IXZYQJVNZQFVRN-UHFFFAOYSA-N 281.311 3.934 30 20 CHED CC(C)(C#N)CCCOc1ccc([C@@H]2CCOC2)cc1 190284156 MDNCLPJRQPKDMS-OAHLLOKOSA-N 273.376 3.899 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Sc2ccc(F)cc2F)c1 139941445 UAVMCFYFRVDHRG-UHFFFAOYSA-N 292.266 3.896 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(C(F)(F)F)cc2)C1 612162467 MICPYKVEKVETAV-AWEZNQCLSA-N 282.309 3.831 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CCC1 191848593 CNVNXWJMHKDLAN-LSDHHAIUSA-N 261.409 3.914 30 20 CHED OC(=Nc1csc(-c2ccncc2)n1)C1[C@@H]2CCC[C@@H]12 329611623 JSYPAOWWMHNKIC-GHMZBOCLSA-N 285.372 3.839 30 20 CHED C[C@H](OC(=O)c1cccc(CC#N)c1)c1cccc(F)c1 139321526 HXBZFTORXBGESH-LBPRGKRZSA-N 283.302 3.810 30 20 CHED N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CC1)c1ccccn1 41481612 JBZIOSZKAYXKDD-CQSZACIVSA-N 296.757 3.643 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 424963876 FCWIDOVWYZPGLF-QILLFSRXSA-N 298.430 3.797 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1SCCc2ccccc21 424719539 YRXFJZGYFUPWNI-HNNXBMFYSA-N 289.444 3.736 30 20 CHED Cc1c(C(=O)N[C@H](C)CC#N)oc2c1ccc1ccccc12 194743707 CKTQEWZCYKYRGZ-LLVKDONJSA-N 292.338 3.926 30 20 CHED N#Cc1ccc(CNCC2(c3ccc(F)cc3)CC2)cc1F 421335231 RXDXDTQLSUUGBP-UHFFFAOYSA-N 298.336 3.658 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)CCCC(C)C 44766509 NTVSZSLRKGOBBF-CYBMUJFWSA-N 252.402 3.647 30 20 CHED C=CCC[C@H](NCCc1ccc(O)cc1)c1ccco1 513672781 MCHSHNADCOCYHR-INIZCTEOSA-N 271.360 3.825 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl 426778892 BPPHMBUSEXTEEO-ZYHUDNBSSA-N 288.218 3.971 30 20 CHED Cc1cccc(CN(C)Cc2cc(F)ccc2C#N)c1C 428709841 NDZLAVCVSBYYOO-UHFFFAOYSA-N 282.362 3.946 30 20 CHED C=C(C)C(C)(C)c1nc(-c2coc(CCC)n2)no1 424358906 HHQZTTZFECOBDV-UHFFFAOYSA-N 261.325 3.531 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 86284226 HUKCJNMQMJOTMI-OLZOCXBDSA-N 289.379 3.630 30 20 CHED C[C@H]1CSC(S[C@@H](C#N)C2CCCCC2)=N1 89523008 BKZPGLPRBZTKCK-ONGXEEELSA-N 254.424 3.683 30 20 CHED CCC1(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 331912267 DFUQKCNLTVHAHC-UHFFFAOYSA-N 256.349 3.616 30 20 CHED CCC(CC)CC(=O)Nc1ccc(C#N)c(C#N)c1C 421560451 QQEZANWFFQZOED-UHFFFAOYSA-N 269.348 3.503 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2sccc2C#N)cc1 335753653 GQMPPJNEEYPTNU-UHFFFAOYSA-N 295.367 3.673 30 20 CHED C[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccncc1F 335047278 HYIBYGVFCJYCJA-MRVPVSSYSA-N 277.249 3.544 30 20 CHED CCN(CC)CCCC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 339082047 PAZRPMMYTLZJNC-MSOLQXFVSA-N 291.483 3.513 30 20 CHED CC[C@@H](SC)C(=O)Nc1cc(C(C)(C)C)sc1C#N 91209089 UXNNDOSJFPSDHW-SNVBAGLBSA-N 296.461 3.997 30 20 CHED CCN(Cc1c(OC)ccc2ccccc12)C[C@@H](C)C#N 91982549 AJKWZYAUMKYFKL-AWEZNQCLSA-N 282.387 3.830 30 20 CHED C=CCN(Cc1cnc(C)nc1)Cc1ccc(Cl)s1 338941734 MPEMHJFEVSTTEJ-UHFFFAOYSA-N 293.823 3.688 30 20 CHED CCCCOc1ccc(CN(CC)CC#N)cc1OCC 92399070 XBYMUEIUUBVVRF-UHFFFAOYSA-N 290.407 3.610 30 20 CHED C=CCOc1cccc(-c2nc3cc(F)ccc3n2C)c1 513856937 DQBNKCIJJROQII-UHFFFAOYSA-N 282.318 3.944 30 20 CHED C#CCCCCC(=O)Nc1cccc(Br)c1 179609469 YSFVMKFRHGRXMO-UHFFFAOYSA-N 280.165 3.581 30 20 CHED C/C(=C\c1ccccc1)CN(C)C(=O)C1(C#N)CCCC1 427220564 VJDMJXMTCHWYNM-NTCAYCPXSA-N 282.387 3.632 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)/C=C\c1ccccc1C#N 96793791 WUHLTOQYPZDRAB-XPSMFNQNSA-N 296.395 3.853 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(CN(C)C)c2)cc1 140505153 KPCBNQKKQXOAJG-XFXZXTDPSA-N 295.382 3.653 30 20 CHED CCOC1(CN[C@@H](C)c2ccc(C#N)cc2)CCCC1 293740103 PDRDEOKWTOCOEH-AWEZNQCLSA-N 272.392 3.558 30 20 CHED C=C(C)CCN(C)Cc1ccc(F)cc1Br 510807418 BWKFEUNDJHDHAM-UHFFFAOYSA-N 286.188 3.986 30 20 CHED C[C@@H](CSCCOc1ccccc1C#N)C(F)(F)F 439033366 KVSNLCHYCQVRGV-JTQLQIEISA-N 289.322 3.869 30 20 CHED CCc1c(/C(O)=N/[C@@]2(C)CC=CCC2)[nH]c(C)c1C(C)=O 331303042 AIJQQCWTGSXHGW-KRWDZBQOSA-N 288.391 3.892 30 20 CHED Cc1oc2ccccc2c1CN[C@H]1CC[C@@H](C#N)C1 334546526 BQLKECWXIRWYJA-OLZOCXBDSA-N 254.333 3.523 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@H]1c1ccccc1 432554156 BXTCLSKUMXTGLO-HNNXBMFYSA-N 272.392 3.745 30 20 CHED Cc1cc(Br)c(CN2CCC(C#N)CC2)s1 334676843 ZJAFRHZYBIIJLC-UHFFFAOYSA-N 299.237 3.555 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1F 335858166 FBVSDUAVAWBKLP-KPZWWZAWSA-N 295.361 3.821 30 20 CHED Cc1cc[nH]c1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 435703235 GCXITFWXXQBNQO-HNNXBMFYSA-N 295.386 3.615 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc2[nH]c(C)cc2c1)OCC 339424646 SRIPFLCTPAFTNH-MRXNPFEDSA-N 286.375 3.786 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc3c(c2)CCCC3)C1 522643521 CFWPSWLSNCUQAI-LIRRHRJNSA-N 296.414 3.768 30 20 CHED C[C@@H]1[C@@H](C(=O)Nc2cccc(OCCCC#N)c2)[C@@H]1C1CC1 528058378 ZLGUZNKXNYSFHL-AFAVFJNCSA-N 298.386 3.600 30 20 CHED C=CC[C@@H]1N(C(=O)CC[C@@H]2CC[C@@H](C)O2)CCCC1(C)C 347496402 YARAOSJASUHAGF-PMPSAXMXSA-N 293.451 3.927 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccc(F)cc2F)c1 347408286 MOCWHOXIXKPDKG-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccoc1C 347876928 YOCYDTXOBXJLAC-UHFFFAOYSA-N 269.344 3.807 30 20 CHED CCCCCN(C)c1ccc(F)cc1CNCCCC#N 344331916 XYORXHZTHVXDLJ-UHFFFAOYSA-N 291.414 3.845 30 20 CHED CC(C)[C@H]1CCCCN1Cc1cn2ccccc2c1C#N 343919300 CCCMLJOKSBUQGO-QGZVFWFLSA-N 281.403 3.821 30 20 CHED C=CCOc1ccccc1C(=O)NC1C[C@@H](C)C[C@H](C)C1 523513133 LHJYQNUGKJZYDJ-KBPBESRZSA-N 287.403 3.806 30 20 CHED C=CCCC1(C(=O)Nc2nccn2Cc2ccccc2)CC1 345561198 SNTVFYAKWBTUIZ-UHFFFAOYSA-N 295.386 3.616 30 20 CHED CC1=C(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCC1 438038941 OAKAOEIWTJSSGI-ZWKOTPCHSA-N 294.398 3.785 30 20 CHED C=CCOCCCN1CCCC[C@H]1c1nc(C)cs1 347957936 AYPZAEFZNCBXHO-AWEZNQCLSA-N 280.437 3.571 30 20 CHED CCC[C@@H](C#N)NC(=O)c1oc2c(C)ccc(C)c2c1C 608815888 MZFIWDMEIJECEV-ZDUSSCGKSA-N 284.359 3.780 30 20 CHED Cc1nsc(N2CCc3cc(Cl)ccc3C2)c1C#N 343238526 UPQSUFZSJLKIBS-UHFFFAOYSA-N 289.791 3.539 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[C@H]1C1CC1 436304248 XYNIESGWQLNFSJ-SZMVWBNQSA-N 266.388 3.714 30 20 CHED N#CCCCCN1CCc2ccc(C(F)(F)F)cc2C1 602928773 RGWNHQFSTFUQFV-UHFFFAOYSA-N 282.309 3.757 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2ccncc2OC)cc1 438465568 BVBGAPQZYJIRKC-AWEZNQCLSA-N 298.386 3.506 30 20 CHED Cc1ccc(C)c(C[S@@](=O)Cc2ccc(CC#N)cc2)c1 342114261 CBUSHAVBDIXTFZ-NRFANRHFSA-N 297.423 3.818 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1sccc1C#N 602229841 QPZGFSGQWGKBHL-GFCCVEGCSA-N 284.384 3.746 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCc2c(F)ccc(F)c21 435673239 MYNBGAZHVQUXRN-CXMBCZLWSA-N 293.357 3.523 30 20 CHED C[C@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccc(C#N)cc1 431438052 GLOGKJDZVOWOJI-KLBWVBMESA-N 282.387 3.562 30 20 CHED CCN(C(=O)Nc1cccc(C#N)c1C)[C@H](C)C(C)C 432262174 LMKASCVVHPGCLR-CYBMUJFWSA-N 273.380 3.765 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 523940151 XUHSFAVHFNNUMF-WFASDCNBSA-N 294.826 3.925 30 20 CHED CCCN(CCN1CCCCC1)CC(C)(C)CCC#N 348875567 KZNGQXKXEAVHED-UHFFFAOYSA-N 279.472 3.514 30 20 CHED CSc1ccc(F)cc1CNc1nc(C)ccc1C#N 346813203 GXZRPDKGIIWFDP-UHFFFAOYSA-N 287.363 3.735 30 20 CHED C=CCCC1(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 527234750 KEFCLNMPYVNWLX-GXTWGEPZSA-N 273.376 3.766 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(CC#N)cc1 542278649 DKVBRNFYTROENT-JLSDUUJJSA-N 268.404 3.906 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cnccc1-c1ccccc1 344241442 OJWKODQITXNDGS-AWEZNQCLSA-N 296.370 3.668 30 20 CHED Cc1cc(C)c(C(=O)N[C@@](C)(C#N)C2CCCCC2)s1 601180684 SLDBLAAWIBMOBC-INIZCTEOSA-N 290.432 3.957 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2ccsc2)c1C 255521795 KNNXAOVRKVTLHZ-WAYWQWQTSA-N 274.389 3.868 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccc(F)c(Cl)c1 529198724 KYJYRTMBFCEQAT-GFCCVEGCSA-N 281.758 3.589 30 20 CHED C=CCCCC[C@H](C)N[C@H](CO)c1c(F)cccc1F 449138598 CNOJAIOCNJROCZ-SWLSCSKDSA-N 283.362 3.723 30 20 CHED N#CC[C@@H](CC(=O)NC[C@@H]1CC=CCC1)c1ccccc1 355162742 IZEPOOFUWAUSEL-WBVHZDCISA-N 282.387 3.546 30 20 CHED CCCCn1cc(CN[C@@H](C)c2ccc(C#N)cc2)c(C)n1 358648414 ABGWBMNYBVHQOM-AWEZNQCLSA-N 296.418 3.714 30 20 CHED C=C1CCN(Cc2cccc(-c3ccncc3)c2)CC1 353284957 GOQPQDVFDBPAHS-UHFFFAOYSA-N 264.372 3.901 30 20 CHED N#Cc1ccc(C(=O)NCc2ccc3sccc3c2)cc1 355379087 DSVJKHMXKHSEBV-UHFFFAOYSA-N 292.363 3.703 30 20 CHED CN(C(=O)Nc1cccc(C#N)c1)C1CCC(C)(C)CC1 530801719 OJTVHUJCCHEIJF-UHFFFAOYSA-N 285.391 3.991 30 20 CHED C=CCN(C)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 356904280 PJIMGUMGRTWKHA-UHFFFAOYSA-N 292.338 3.753 30 20 CHED CCCc1nc(C)c(NCc2ccc(C#N)cc2)s1 358717392 WFXPYBCTMBRIPH-UHFFFAOYSA-N 271.389 3.888 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 352986387 HAWQEXPHXCOCHP-UWVGGRQHSA-N 276.311 3.507 30 20 CHED CC(C)C(C)(C)CNC(=O)N[C@H](C)c1ccc(C#N)cc1 445868090 DMAVODOWPOGPOE-CYBMUJFWSA-N 287.407 3.601 30 20 CHED C=CCC1(NC(=O)c2ccc3c(c2)CCC=C3)CCOCC1 618250538 FFLAOEDDXNVBJU-UHFFFAOYSA-N 297.398 3.501 30 20 CHED CC[C@H](F)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 440788336 VPSGOPKMAUUVFO-ARFHVFGLSA-N 260.356 3.506 30 20 CHED N#Cc1ccc(C(=O)N(C2CCCCC2)C2CC2)s1 610519312 FNQZGEJQKAKQEE-UHFFFAOYSA-N 274.389 3.557 30 20 CHED C=CCCC1(C(=O)Nc2nc3ccccc3n2CC)CC1 354103868 IYXZPQGMUFTHCY-UHFFFAOYSA-N 283.375 3.741 30 20 CHED CC(C)(C)c1cccc(OCCN[C@H]2CC[C@H](C#N)C2)c1 442869994 CIONTGGPTMLKQG-HOCLYGCPSA-N 286.419 3.645 30 20 CHED C[C@]1(C#N)CCCN([C@@H]2CCCc3ccc(F)cc32)C1 612167037 UMVHNGVQBHKQEA-IAGOWNOFSA-N 272.367 3.829 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 537518137 DKODANLSOUSDCQ-SGMGOOAPSA-N 276.380 3.557 30 20 CHED Cc1ccc(Cl)c2ccc(=NCC(C)(C)C#N)[nH]c12 611617905 PCAXSAGTSFWXLG-UHFFFAOYSA-N 273.767 3.580 30 20 CHED C=C(C)COc1cc(CN2CC=C(C)CC2)ccc1OC 538727191 ZWHGREZNTNPOBH-UHFFFAOYSA-N 287.403 3.802 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc2ccccc2o1 264225860 HRSIYGULCOHREN-UHFFFAOYSA-N 284.359 3.835 30 20 CHED N#Cc1ccc(CN2CC(c3cccc(Cl)c3)C2)s1 449558012 UQTPNWXLCCATEC-UHFFFAOYSA-N 288.803 3.873 30 20 CHED CN(C)c1cccc(CN(CCC#N)CC(C)(C)C)c1 610211618 ZCPYIPOZEXLPJB-UHFFFAOYSA-N 273.424 3.514 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C#N)c(C#N)c2)C1(C)C 610207713 CPIDLXQTJYAYSB-HZPDHXFCSA-N 293.370 3.607 30 20 CHED Cc1cncc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 613512264 BZZKYACCUARDIB-ZIAGYGMSSA-N 265.360 3.674 30 20 CHED C[C@@H](NC(=O)N(C1CCCC1)C1CC1)c1cccc(C#N)c1 610461913 PGGUYWFHXPLAFS-CYBMUJFWSA-N 297.402 3.736 30 20 CHED C=CCC1(C(=O)N2CCC[C@](CC)(CO)C2)CCCCC1 450805025 NYTWAHZWPOFKGK-KRWDZBQOSA-N 293.451 3.524 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 532695155 AZTYZUPJBBWVQX-JKIFEVAISA-N 278.440 3.893 30 20 CHED Cc1csc(-c2noc([C@H](C)c3cccc(C#N)c3)n2)n1 361250172 IPVXLCWOTBVGIF-SNVBAGLBSA-N 296.355 3.525 30 20 CHED C[C@@H](C(=O)Nc1nc(C2CC2)cs1)c1cccc(C#N)c1 360003881 VQGWVIRYGWOHAJ-SNVBAGLBSA-N 297.383 3.634 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCC1 264620526 PHLSOUDSAKFCJC-NSHDSACASA-N 289.404 3.755 30 20 CHED CN(CCC#N)C(=O)Nc1ccc2oc3ccccc3c2c1 531254356 HENOJKIGWDRNMT-UHFFFAOYSA-N 293.326 3.963 30 20 CHED C=CCC[C@@H](C(=O)NC1CC(C)(F)C1)c1ccccc1 452278669 UHKHKOYEJMHMIU-ISXOHVOVSA-N 275.367 3.743 30 20 CHED C=CCCCCCN1CCC(C#N)(c2ccccn2)CC1 369205003 HRFSOTLSYAUXMM-UHFFFAOYSA-N 283.419 3.685 30 20 CHED CC[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 267504718 HBRSXYVSFBHADA-UKRRQHHQSA-N 272.392 3.625 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2ccccc2F)CCCC1 619104913 XMUOWVKFSWITRO-CYBMUJFWSA-N 275.367 3.934 30 20 CHED CCCCN(C(=O)Nc1cccc(CC#N)c1)C1CC1 455922600 QYZFPXHNARQMQE-UHFFFAOYSA-N 271.364 3.549 30 20 CHED CCC[C@H](C#N)NC(=O)C(C)(C)c1ccc2ccccc2c1 611286188 SOCMTKJWRAWNHN-QGZVFWFLSA-N 294.398 3.926 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 365247956 YRZCUSZDLYXUEB-AWEZNQCLSA-N 265.303 3.595 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnc(C2CC2)nc1 459308083 RVRJUJKVMNOSLB-UHFFFAOYSA-N 279.387 3.542 30 20 CHED Cc1ccc([C@H]2CSCCN2CC2(C#N)CCC2)cc1 450403015 APRGFYNMTQVJPB-MRXNPFEDSA-N 286.444 3.779 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 458551314 DYCAURDBWYLTNL-OAHLLOKOSA-N 299.418 3.600 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)cc2)CCCCC1 450170755 FNOSCOZAICVVLX-UHFFFAOYSA-N 259.349 3.857 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(C)c(C)cc1Cl 455742764 IAMCQPCCHNEIBL-JTQLQIEISA-N 252.745 3.653 30 20 CHED C=C[C@@](C)(CC)C(=O)NC1CC(c2ccccc2)C1 276971479 UGUCTAJFYUOELK-DQPZFDDXSA-N 257.377 3.651 30 20 CHED N#C[C@H]1CC[C@H](NCCc2ccc(C(F)(F)F)cc2)C1 619671931 VQEXMTRLCSXVNQ-JSGCOSHPSA-N 282.309 3.530 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCCc1nccs1 611394900 RCHVAUYUCVCCRT-INIZCTEOSA-N 297.427 3.615 30 20 CHED COc1cc(CN2CCCc3sccc3C2)ccc1C#N 619674484 LWLOVKGFCKLHIA-UHFFFAOYSA-N 298.411 3.577 30 20 CHED C=CCC1(C(=O)NCC2(C3CC3)CCC2)CCCC1 450201159 PWKWIVPDZDYFDK-UHFFFAOYSA-N 261.409 3.819 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 455236255 YEPUOAYTXCGHKU-INIZCTEOSA-N 290.363 3.672 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1OC)c1ccccc1 271619336 CUXIYEQTSQTMFA-KRWDZBQOSA-N 280.371 3.808 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1c1ccc(F)cc1C 454846365 ZHMKCOSLBZNIFF-HNNXBMFYSA-N 276.355 3.557 30 20 CHED N#CC1(CN2CCn3cccc3[C@H]2c2ccccc2)CCC1 450511513 BHBRYXBCRSOJAJ-GOSISDBHSA-N 291.398 3.587 30 20 CHED Cc1cc(Br)cc(NC(=O)CC(C)(C)C#N)c1 278674765 CVOIPHACEKXHIO-UHFFFAOYSA-N 295.180 3.636 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCO[C@@H](C(C)(C)C)C2)n1 270775007 MUNBFRUUGHMDCV-UKRRQHHQSA-N 287.407 3.576 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)Cc2sccc2C)c1 456015261 YXSBRTYOWMPUFH-UHFFFAOYSA-N 299.399 3.901 30 20 CHED CC#CC(=O)N[C@@H](CCC)c1cccc(C(F)(F)F)c1 277293096 ALRGXFUXGUFGEJ-ZDUSSCGKSA-N 283.293 3.686 30 20 CHED CC1(C)C[C@@H](Nc2cc(C#N)ccn2)c2ccc(F)cc2O1 367835496 IYJNXDBAZDAYDL-CQSZACIVSA-N 297.333 3.807 30 20 CHED CC[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 278321917 VCTXXOWXAAWGHH-MRXNPFEDSA-N 294.354 3.528 30 20 CHED C=CCCC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 279401137 HQZNAEFOJODXQY-HNNXBMFYSA-N 257.377 3.586 30 20 CHED Cc1cccc([C@H]2CCN(CCC(C)(C)C#N)C2)c1 273091630 MSJOWQHVXZOUTA-INIZCTEOSA-N 256.393 3.724 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)cc2cccnc12 548646760 UKYOZPZWNSAIKG-UHFFFAOYSA-N 275.739 3.586 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1cccc(F)c1C#N 548279371 FVKIRZXEHMBUKW-UHFFFAOYSA-N 296.345 3.668 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 628412689 IAGYVOJJTDHLNM-ZDUSSCGKSA-N 293.357 3.883 30 20 CHED C=CCN(C(=O)C1(C(F)(F)F)CCCCC1)C1CC1 622837236 GKDXPZUPKYAAFF-UHFFFAOYSA-N 275.314 3.676 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2cccnc2)CCCC1(C)C 375260086 JCYSETCIPYYLSJ-BBWFWOEESA-N 298.430 3.778 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@H](C)CC[C@@H]1C 460799873 AOOSHFMIVMPTJL-CABCVRRESA-N 290.455 3.678 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@@H](Cc2ccc(F)cc2)C1 462855033 NGFNFPJARFFSDG-AWEZNQCLSA-N 298.336 3.905 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H](C)CCC 460783296 KQGHOBYAKKBZCC-CYBMUJFWSA-N 264.417 3.602 30 20 CHED C=CCCN(C)C(=O)C[C@H](C)c1c[nH]c2ccccc12 278845598 RYEVIMQUESEOJD-ZDUSSCGKSA-N 270.376 3.696 30 20 CHED C[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)C1CCCCC1 464706555 FDJDNXSNWKJKGL-TZMCWYRMSA-N 264.413 3.647 30 20 CHED N#CCCCCN1CCC[C@@H](Cc2ccccc2)C1 371548340 HYLOJJXQIFOFTK-KRWDZBQOSA-N 256.393 3.635 30 20 CHED C=CCC[C@@H](Nc1cn(C)nc1CC)c1ccco1 286337702 YQJNDIGQKVTQME-CYBMUJFWSA-N 259.353 3.695 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1Cc1cccc(C#N)c1 464730050 CXDLFUUGQGMSAS-YOEHRIQHSA-N 256.393 3.959 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1[C@H]1CCCO1 284732527 KKWABEDXYNPZDP-QZTJIDSGSA-N 298.430 3.631 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc2cnccc12 620858442 GZHDOSMCHLLNBA-UHFFFAOYSA-N 268.360 3.709 30 20 CHED C=C[C@H](C)NC(=O)N(CCC)[C@H](C)c1ccccc1OC 464759620 ZQKQUSPGSQSSBD-UONOGXRCSA-N 290.407 3.752 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2OCc2ccccc2)C1 463241887 IQGSGTGAUGSALM-YDZRNGNQSA-N 298.430 3.796 30 20 CHED C=CCOc1ccc(CN=c2[nH]c3cc(F)ccc3o2)cc1 553244051 LDDXMHJTXAMEQA-UHFFFAOYSA-N 298.317 3.566 30 20 CHED CCOc1cccc(/C=N/CCCC(F)(F)F)c1O 281794207 OIAUFGOAIVESCN-RQZCQDPDSA-N 275.270 3.552 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H]2c2cccnc2)c1C#N 373280385 KTUMFUAXTCWPAG-OAHLLOKOSA-N 298.777 3.652 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 284969463 BEBLARSOFCTXJB-SFHVURJKSA-N 299.418 3.551 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn([C@H](C)CC)c1C1CC1 281355339 MIKLSMSPFFYRJC-OCCSQVGLSA-N 289.423 3.816 30 20 CHED C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 463433053 BWEKLMAICGGIBB-CYBMUJFWSA-N 296.345 3.905 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCCc3ccc(F)cc32)C1 475511324 UISDPBRLRHYIIJ-XGWLTEMNSA-N 272.367 3.875 30 20 CHED C=C(CN[C@H]1CCCC12CCOCC2)c1ccccc1 282362855 WFCSTGPDBRZZMW-KRWDZBQOSA-N 271.404 3.639 30 20 CHED C=CCCCCNC(=O)c1scnc1C1CCCC1 471718479 UBDKWUQNYACDHB-UHFFFAOYSA-N 278.421 3.887 30 20 CHED CC1(C)C[C@H](N=c2[nH]ccc(C#N)c2Cl)c2ccccc21 557640226 RPGKTGZZRSNKCM-AWEZNQCLSA-N 297.789 3.863 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(C)cc2)no1 559927746 GSVWKKIMEIGMOG-UHFFFAOYSA-N 250.248 3.713 30 20 CHED N#CCCC1CCN(Cc2ncc(Cl)cc2Cl)CC1 564917178 YONILOLJRJEUPU-UHFFFAOYSA-N 298.217 3.904 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1ccc(C#N)cn1 569468999 KZKDJKAUXCVUIJ-STQMWFEESA-N 295.361 3.600 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C#N)s2)CCCC1(C)C 470288953 VDJBHTKEZRPKGN-CQSZACIVSA-N 288.416 3.827 30 20 CHED C=C[C@H](C)NC(=O)N(CC)C[C@H](CC)c1ccccc1 477190664 LMINILCHSKEKRV-GJZGRUSLSA-N 274.408 3.786 30 20 CHED C#CCCCc1nc(Cc2ccc(Cl)c(Cl)c2)no1 809260906 ODXYKWXVXOOOTA-UHFFFAOYSA-N 295.169 3.923 30 20 CHED C=CCN(CCOC)C(=O)N[C@H](C)CCC1CCCCC1 478837406 QIGCWWVXPJBZIK-OAHLLOKOSA-N 296.455 3.579 30 20 CHED C[C@@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)cn1 804765149 STJTUBQIYFZXME-ZCFIWIBFSA-N 299.186 3.890 30 20 CHED C=CCCN(Cc1oc(C)nc1C)OCc1ccccc1 809985081 FDTWIVBXEVGZBD-UHFFFAOYSA-N 286.375 3.801 30 20 CHED C=CCC[C@H](CC)Nc1cccc(NC(=O)N(C)C)c1 295165795 FMGVSAMVHGCWLK-ZDUSSCGKSA-N 275.396 3.937 30 20 CHED CC(C)(C#N)Cc1nc(Cc2c(F)cccc2Cl)no1 290264272 VPDQTIKOIQDWGL-UHFFFAOYSA-N 293.729 3.545 30 20 CHED CCCc1nsc(N[C@H](CCC#N)c2ccccc2)n1 292801546 YOJYRRNAGJDMND-CYBMUJFWSA-N 286.404 3.948 30 20 CHED N#Cc1ncccc1NCCOc1ccc2ccccc2c1 567435744 YVDDNTLWNZVTTQ-UHFFFAOYSA-N 289.338 3.597 30 20 CHED CC(=NNCC1CCCC1)c1cnc2ccsc2c1 808006053 POZVBSXDASPYJC-UHFFFAOYSA-N 273.405 3.800 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]1C 641247223 ZLOMSVDSPLRHHD-SNVBAGLBSA-N 299.292 3.505 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)CCCC1 567954702 KKJRPHUGPUCYNA-HUUCEWRRSA-N 291.435 3.539 30 20 CHED C=CCC(F)(F)C(=O)OCC(=O)c1cc(C)c(C)cc1C 815312742 HEOFVJRJOBGXNR-UHFFFAOYSA-N 296.313 3.549 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 819631870 YEYYMITVEQJALJ-YETNAYFDSA-N 296.414 3.806 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccnn1[C@@H](C)CC(C)C 481459383 YKUIEUYKARKYLS-AWEZNQCLSA-N 292.427 3.920 30 20 CHED CCN(C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 487446915 OCFLUGJVTFMUKN-UHFFFAOYSA-N 295.342 3.834 30 20 CHED CC(C)c1cnc(C=NNc2cccc(F)c2F)s1 814858637 AXPLDVKVLUKELE-UHFFFAOYSA-N 281.331 3.991 30 20 CHED C=CCCC(=O)N1CCCC[C@@H]1Cc1ccc(OC)cc1 650645045 DNIISXNIHKZODE-MRXNPFEDSA-N 287.403 3.585 30 20 CHED CCCCCC[C@H](C)CC(=O)N(C)CC(C)(C)C#N 817618042 QRELQKXHQAZUBS-AWEZNQCLSA-N 266.429 3.991 30 20 CHED C=CCCCCCCCNC(=O)Cc1ccc(O)cc1 811590531 XDKISGQFPYBLPU-UHFFFAOYSA-N 275.392 3.578 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@]1(C)OCCc2sccc21 572209170 PRVUPNGDNDAHMY-XEZPLFJOSA-N 279.449 3.726 30 20 CHED C=CCC(F)(F)C(=O)OCCc1ccccc1Cl 815314645 AXBYHXOHJSBXKN-UHFFFAOYSA-N 274.694 3.637 30 20 CHED C=CCCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 658115799 WHSXRQABKIHYEK-NSHDSACASA-N 257.299 3.802 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC[C@H]1C(C)(C)C#N 814935547 NRUJFZDYWLKQEV-GDBMZVCRSA-N 299.418 3.749 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccc(F)c(C#N)c1 576604390 RWJXHMDXDIPRLU-UHFFFAOYSA-N 276.355 3.644 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1C[C@H]2CC[C@H]1C2 570678499 VAKTTWXJRWKYGH-JQWIXIFHSA-N 283.762 3.749 30 20 CHED Cc1cccc(C)c1CCNC(=O)Nc1ccc(C#N)cc1 481460759 BXDAKNSBTULYTE-UHFFFAOYSA-N 293.370 3.539 30 20 CHED C=CCCC1(C(=O)N2CC(C3CCCCC3)C2)CC1 575066080 HYUWNLIEUOPQNY-UHFFFAOYSA-N 261.409 3.772 30 20 CHED CCCCCCCOC(=O)c1c(C)nn(CC)c1C 727012777 ZSZZQPQBDKMYMI-UHFFFAOYSA-N 266.385 3.647 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3ocnc23)cc1Cl 577756426 GACLTYHTHOHCSY-UHFFFAOYSA-N 297.701 3.605 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)N2CCC(CCC#N)CC2)[C@@H]1C 575271179 RMGORLDKQRTTJW-FMKPAKJESA-N 291.439 3.536 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc([C@H](C)C(=O)OC)c1 822647951 PVNBELWTZIICPF-STQMWFEESA-N 289.375 3.504 30 20 CHED C=CCN1CCC(c2ccnc3ccccc23)CC1 570056332 DKNYLJFJRARGFT-UHFFFAOYSA-N 252.361 3.600 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C(F)F)cc2)c1 728481514 IKZYCAAMJOPIAU-UHFFFAOYSA-N 285.293 3.882 30 20 CHED CCN(CC#N)C(=O)[C@H](CC1CCCCC1)C(C)C 492170087 UHMZCMOSJKKBOO-OAHLLOKOSA-N 264.413 3.601 30 20 CHED CSc1ccc(CCCC(=O)OCCCC#N)cc1 829621263 NGGPUALUXFILNY-UHFFFAOYSA-N 277.389 3.578 30 20 CHED CC[C@H](CNC(=O)c1cc(C#N)ccc1C)CC(F)(F)F 822681862 MTQCAOLTNAWCRO-NSHDSACASA-N 298.308 3.575 30 20 CHED CCCNC(=S)NN=C(CCC)C1CCCCC1 727776673 AWDRHFIPWZUIDS-UHFFFAOYSA-N 269.458 3.597 30 20 CHED C=CC(C)(C)CNCc1ccc2ccccc2c1O 824789532 DFQHHVXINVBOHJ-UHFFFAOYSA-N 255.361 3.847 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccsc2)C1 661134058 YDFIJAUJXWKFOL-STQMWFEESA-N 278.421 3.807 30 20 CHED CC[C@@H](NCc1cccc2c1OCO2)c1cccc(C#N)c1 902759473 YENILMHFNWJBQS-MRXNPFEDSA-N 294.354 3.528 30 20 CHED N#C[C@]1(C(=O)Oc2cccc(C3CC3)c2)CC12CCCC2 824036528 SLYTUMULHTYFRY-SFHVURJKSA-N 281.355 3.943 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C2CCC2)C1)c1ccccc1 665682814 JOMLZDHGMSSIPG-CRAIPNDOSA-N 283.415 3.995 30 20 CHED CC(C)C#CC(=O)Nc1ccc(CN2CCCCCC2)cc1 824361468 CHIJTHJALOXLBU-UHFFFAOYSA-N 298.430 3.661 30 20 CHED N#Cc1ccc(Cl)cc1NCc1noc2ccccc12 589597881 GAYAHLDBHDQQBH-UHFFFAOYSA-N 283.718 3.965 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C\c1cccc(O)c1O)CC2 730147866 VNTJFXXHNCZTRN-PACYTGELSA-N 267.328 3.513 30 20 CHED C=C(C)CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 583278895 SNDUTILJEVNLPR-UHFFFAOYSA-N 298.430 3.509 30 20 CHED CC(C)(C)OC(=O)N1CCC(C=NOC2CCCC2)CC1 494589592 JVAUBEJFTLWSBJ-UHFFFAOYSA-N 296.411 3.579 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](c1cccs1)C1CC1 494210611 ABLKCHOPFFKPLJ-ZFWWWQNUSA-N 290.432 3.949 30 20 CHED COc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1O 589340347 ATOFHMHRRPGLAB-CHWSQXEVSA-N 296.370 3.684 30 20 CHED C=CC[C@@H](NC(=O)Nc1ccc(OC)cc1)c1ccncc1 734515209 JBJYEUWDNTVQGO-MRXNPFEDSA-N 297.358 3.529 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(C)cnc1Cl 904799382 KKUIXYWBXMEKKE-SNVBAGLBSA-N 252.745 3.584 30 20 CHED COc1ccc(CN[C@H](C)c2csc(C)c2)cc1C#N 834688824 FQNIGIKEYJCSDP-GFCCVEGCSA-N 286.400 3.788 30 20 CHED C=CCCNC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 660228902 HWRQPPRYIIXLOI-JTQLQIEISA-N 286.297 3.642 30 20 CHED CC(C)COc1ccccc1C=NOCc1cccnc1 834966761 SCLBZVCJLHVVGO-UHFFFAOYSA-N 284.359 3.667 30 20 CHED CC#CCOC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835270841 YDXUGZNSRTULQP-SNVBAGLBSA-N 270.250 3.533 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C)c3c[nH]nc3c2)C1 666482843 PBQHRSCCLLWRQM-ZDUSSCGKSA-N 298.390 3.691 30 20 CHED CC(=O)CCCCCCC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839051077 KEQALBJBWXPVTC-HUUCEWRRSA-N 279.380 3.542 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H](C)C(C)(F)F)cc1 580325682 VVSGOOBJAHHLNB-RISCZKNCSA-N 294.345 3.563 30 20 CHED C/C(=C/C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 839051244 MXNUGOXQGDOIGC-SHAKEMSNSA-N 287.334 3.855 30 20 CHED C=C(Cl)CNC(=O)c1csc(-c2ccccc2C)n1 736242039 IAIWKTOPMFFVKE-UHFFFAOYSA-N 292.791 3.601 30 20 CHED CC(=NNC(=S)Nc1ccccc1F)C1CCCC1 733077880 PJEFBBQHPAPJTQ-UHFFFAOYSA-N 279.384 3.678 30 20 CHED C[C@H](CC#N)OC(=O)c1cc2c3ccccc3n(C)c2s1 733709157 FHJDLIUGJIKKSR-SNVBAGLBSA-N 298.367 3.852 30 20 CHED N#CC1(CCCCOC(=O)c2ccccc2F)CCC1 908825800 PNWGATBDFNLOJF-UHFFFAOYSA-N 275.323 3.847 30 20 CHED CCc1ccccc1NN=Cc1cccc(F)c1F 730728054 IIXCBIQUEXVKPM-UHFFFAOYSA-N 260.287 3.973 30 20 CHED CCSc1ccccc1[C@@H](C)NCC(C)(C)C#N 903100603 UMFAIRHFJICNKG-GFCCVEGCSA-N 262.422 3.999 30 20 CHED N#CCCCCCC(=O)Nc1cccc(OCCCC#N)c1 588151882 MHZZYBFDBPPEAM-UHFFFAOYSA-N 299.374 3.782 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cnn(CC)c1 733923915 UEYPNALMADSIIN-AWEZNQCLSA-N 279.428 3.629 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2cnnc3ccccc23)o1 733748214 LSPLAFYCOXARCQ-SMDDNHRTSA-N 292.342 3.792 30 20 CHED C#CC[C@@H](OC(=O)C[C@]1(C)CC1(Cl)Cl)C(C)C 835200847 PWAZLMDNYBBCPV-ZYHUDNBSSA-N 277.191 3.552 30 20 CHED C#CC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 733979145 RDEAUCUSVFJWMU-VXGBXAGGSA-N 296.197 3.625 30 20 CHED C[C@@H](CC#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 835160212 YGORMEBCBDKAQQ-INTQDDNPSA-N 298.169 3.942 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1 832259464 USBWGGYKSLXEDE-CMDGGOBGSA-N 296.322 3.598 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNCc2ccc(F)c(F)c2)o1 915976571 MUTDEYRSRZJMCG-GWCFXTLKSA-N 290.313 3.805 30 20 CHED C=CCCCCCN(C)C(=O)NCCSC(C)(C)C 740043090 CHTDOKQZYMTBGQ-UHFFFAOYSA-N 286.485 3.906 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc(Cl)nc1 748997455 DQLLQVCAHQDNJX-DAXSKMNVSA-N 287.746 3.948 30 20 CHED Cc1cccc(CC/N=C/c2cc3ccccc3nc2O)c1 749105779 YCAKBZDJUCACIX-DEDYPNTBSA-N 290.366 3.910 30 20 CHED N#CC1(CNc2nc3ccccc3n3cccc23)CCC1 596276616 FZVYLTIHWQZUSN-UHFFFAOYSA-N 276.343 3.593 30 20 CHED CCc1ccccc1NN=Cc1ccc(Cl)nc1 748781172 UEBAGIFLFYMGOG-UHFFFAOYSA-N 259.740 3.743 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc2c(c1)CCCC2 915985679 OWORRIOSBPLFAQ-MDZDMXLPSA-N 280.371 3.801 30 20 CHED CCC[C@H](C#N)NC(=O)C(C)(C)c1cccc2ccccc12 590987717 JKBSGNTVCXUWRJ-OAHLLOKOSA-N 294.398 3.926 30 20 CHED C=C(C)CN(C)C(=O)c1cc2c(C)cc(C)nc2s1 679206080 ROWBSKBGZBZRCW-UHFFFAOYSA-N 274.389 3.561 30 20 CHED COCCON=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 749861047 AHCBAXXIZWQABF-HIFRSBDPSA-N 261.365 3.609 30 20 CHED CCN(CC)c1ccc(/C=N/CCC(C)(F)F)c(O)c1 840708489 XLGRYYCQJFVNLM-WOJGMQOQSA-N 284.350 3.703 30 20 CHED Fc1cccc(C=NNCc2ccc(C(F)(F)F)cc2)c1 915972302 LQVVKSRFFZVVDO-UHFFFAOYSA-N 296.267 3.968 30 20 CHED CC(C)CN(Cc1cscn1)c1ccc(C#N)cc1 747682131 JNRYPJWSWFXEGN-UHFFFAOYSA-N 271.389 3.677 30 20 CHED C[C@@H](NC(=O)[C@@H]1CCCCC1(F)F)c1cccc(C#N)c1 590672844 BWOAKEQKIFCGKY-RISCZKNCSA-N 292.329 3.561 30 20 CHED C#CCOc1ccc(NC(=O)CCCC2CCCC2)cc1 742650198 YBUCABLHTKUHIU-UHFFFAOYSA-N 285.387 3.998 30 20 CHED C#CCN(CC)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 749226459 UFBUFZLCMFQRMI-UHFFFAOYSA-N 290.366 3.745 30 20 CHED C#CCN(CC)C(=O)C[C@H](C)c1ccccc1C(F)(F)F 741547221 QFKXICGNMCRYAP-LBPRGKRZSA-N 297.320 3.681 30 20 CHED Cc1ncsc1CCN[C@H]1CCCc2cc(C#N)ccc21 590779291 ROUZGDIJJCGXFN-INIZCTEOSA-N 297.427 3.533 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1ccc(C#N)cc1C 849847263 UEIFHOKZAOJZEO-MRXNPFEDSA-N 277.339 3.828 30 20 CHED C[C@H](CC(=O)N1CCC(CCC#N)CC1)c1ccccc1 592821114 YFKKFKDBJMWPEV-OAHLLOKOSA-N 284.403 3.723 30 20 CHED CCCn1cccc1C=NNCc1ccccc1Cl 918153673 ZPJLNCGYGAMUKN-UHFFFAOYSA-N 275.783 3.675 30 20 CHED COc1ccc(O)c(/C=N\C[C@H](C)Oc2ccccc2C)c1 741842011 DJYDOXSPCAFRAJ-YQNUULROSA-N 299.370 3.596 30 20 CHED CC(CCc1ccc(C)cc1)=NN=C(C)c1cnccn1 745201786 LTUHKCMIQYTFTF-UHFFFAOYSA-N 280.375 3.603 30 20 CHED C[C@@]1(Cc2ccccc2F)CCCN1CCCC#N 592144032 YPMPTLZSAZKBCC-INIZCTEOSA-N 260.356 3.526 30 20 CHED CCCCCCCC(=O)N[C@@H]1C[C@@H](OCC)C12CCC2 741616666 ZEPAAHTYBYNGRU-HUUCEWRRSA-N 281.440 3.811 30 20 CHED CCCCCCCC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1 840508315 QHJQBRAQKLAAAF-IRXDYDNUSA-N 289.419 3.681 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1cccnc1 916259458 IODLSOWLHDCUBZ-UHFFFAOYSA-N 279.265 3.937 30 20 CHED CCCCCCCCC(=O)NCCc1cccc(O)c1 749267139 DXRSULHGDUVJPB-UHFFFAOYSA-N 277.408 3.802 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(-c2ccccc2)cc1F 749225289 HLGPIYCDPBTKDB-UHFFFAOYSA-N 296.345 3.980 30 20 CHED C#CCCCCC(=O)OCCc1ccc2ccccc2n1 845656215 JJOCGNBRDOMERL-UHFFFAOYSA-N 281.355 3.514 30 20 CHED C=CCN(C(=O)Cc1csc2ccccc12)C(C)C 916047548 NQPFGDWVXDVONM-UHFFFAOYSA-N 273.401 3.867 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)CC1(C#N)CCCCC1 597726159 CFJIWZSYVKBPFM-RDJZCZTQSA-N 290.451 3.990 30 20 CHED CC(C)(C#N)C[C@@H](O)CN(Cc1ccsc1)C(C)(C)C 598625072 KREFQMIWGPFRDR-CQSZACIVSA-N 294.464 3.649 30 20 CHED CCCCCCCCC/C=C/C(=O)Nc1nnn(C)c1C 840571563 MBZLTKSFSRDZIE-OUKQBFOZSA-N 292.427 3.759 30 20 CHED C=CCCC(=O)OCCCc1ccc(Cl)cc1 740957686 IEUSRLVLCMWBCD-UHFFFAOYSA-N 252.741 3.782 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CCc3cc(F)ccc32)c1 920174721 OJWFDNRTWBVZFN-MWJIIQFGSA-N 285.318 3.646 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)C[C@@H](C)CC)c1 743083924 GFRXUXFXBNDYGA-QWHCGFSZSA-N 258.365 3.614 30 20 CHED Cc1ccc2oc(C(=O)OCC#Cc3ccccc3)cc2c1 920118100 QEPLSSKOMAAEKB-UHFFFAOYSA-N 290.318 3.950 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(C(F)F)ccc1Cl 844564677 CIZYNACURGUTBY-ZETCQYMHSA-N 290.697 3.905 30 20 CHED C=C(Cl)CNc1cc(C(F)(F)F)ccc1NC(C)=O 849313852 PRTXZDQQROACJP-UHFFFAOYSA-N 292.688 3.828 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(C3CC3)cc2)cn1 840719387 SRQZORTZCUJJNU-BJMVGYQFSA-N 266.344 3.677 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 759281130 GPXIXDYNKHNHHT-ZBTGYSDGSA-N 296.414 3.856 30 20 CHED CSc1cc(C)c(C(=O)OCCCC(C)(C)C#N)o1 853941133 RFBFJEZOZGXJSV-UHFFFAOYSA-N 281.377 3.797 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(F)c(Cl)c2)cc1 755454411 FUZDODNTZLOYAU-UHFFFAOYSA-N 292.697 3.623 30 20 CHED COc1cccc2cc(C(C)=NO[C@@H]3CCCCO3)oc12 755820873 GKFORKAWNWNDEA-OAHLLOKOSA-N 289.331 3.709 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)[C@@H]1C[C@H]1c1cccnc1 851145267 WDENTOMUEIBQGO-XLNGHYISSA-N 285.387 3.863 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2ccc(C(F)F)nc2)cn1 853009040 DMKFIQNIMPGPNY-UTCJRWHESA-N 291.301 3.693 30 20 CHED CC1(C)CC(=NNc2ccc(C(=O)O)cc2)c2ccccc21 920360241 VFPWOGIDXBMADW-UHFFFAOYSA-N 294.354 3.882 30 20 CHED CCC(C#N)(CC)C(=O)N1CC=C(c2ccc(C)cc2)CC1 858211237 MEDVPFNDWAGRKN-UHFFFAOYSA-N 296.414 3.941 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)CCCO2 850475215 VHBITUNNYMCKSS-CYBMUJFWSA-N 272.392 3.602 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N(CCC#N)c2ccc(F)cc2)C1 753612005 ZWEHEIWXUCTLRW-MNWMYKRDSA-N 286.350 3.819 30 20 CHED C=CC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccncc1 925073171 BCNZRTYFHXQVTH-ZFWWWQNUSA-N 257.381 3.617 30 20 CHED CSc1ccc(/C=C\C(=O)N[C@@H](C#N)CC(C)C)s1 859095169 NDTITQVMYJCHML-VLWUPBBWSA-N 294.445 3.538 30 20 CHED C=C[C@H](OC(=O)[C@@H](C)c1c(C)nn(C)c1C)c1ccccc1 851454066 XCRLPUWFJARPFV-LRDDRELGSA-N 298.386 3.611 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccn(C)c1-c1ccccc1 850978764 AGTPRARPMDJCHE-CQSZACIVSA-N 282.343 3.541 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(OCCCC)cc1Cl 754390387 SRZCRRBVNCRJBN-LBPRGKRZSA-N 293.794 3.661 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)CCc1cccnc1 851143908 OLNPEXCSSRXZNO-HOTGVXAUSA-N 273.376 3.692 30 20 CHED CCc1ccc(C(=O)/C=C2/COc3ccc(F)cc32)o1 752238781 WMJIRFVHELSEEW-YFHOEESVSA-N 272.275 3.640 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc(CC(C)C)cc1 753711756 NNNKGWLNYFSABL-MDZDMXLPSA-N 282.387 3.998 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccccc1O 755597952 ANQQGQUBYBUFDB-AATRIKPKSA-N 260.239 3.567 30 20 CHED N#CC1(CCCCN2C[C@@H](O)C[C@@H]2c2ccccc2)CCC1 930716574 YUAZAXDKDJHMGM-ZWKOTPCHSA-N 298.430 3.658 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(O[C@@H](C)C#N)cc1 750938526 JQZXETGOPRWEGJ-ZDUSSCGKSA-N 297.333 3.871 30 20 CHED C=C[C@H](CC(=O)OCC(=C)Br)c1ccccc1 758919741 HWBMWZFWZOIKCL-GFCCVEGCSA-N 295.176 3.798 30 20 CHED C#CCCCC(=O)NC(C)(C)c1ccc(C(C)C)cc1 758303708 WJPFIPNQFKHNPE-UHFFFAOYSA-N 271.404 3.965 30 20 CHED CCN(C(=O)/C=C(/C)c1cccc(Cl)c1)[C@H](C)C#N 856076185 WPYNELGQKXJIIL-NXIHDVOMSA-N 276.767 3.504 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 935787332 MQGGGLVDGZNWGT-IHRRRGAJSA-N 275.367 3.790 30 20 CHED C=CCOCC(=O)O[C@@H](C)c1cc(Cl)ccc1Cl 752524461 LQKYJADMIJQDEJ-VIFPVBQESA-N 289.158 3.800 30 20 CHED FC(F)(F)C(F)(F)CNN=Cc1ccc(Cl)s1 863179917 VWPTUWNDDFKUMV-UHFFFAOYSA-N 292.660 3.523 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C(=O)CC)cc2)c1 760501463 BQZWEBWXTCNTRO-UHFFFAOYSA-N 291.350 3.537 30 20 CHED C=C[C@H](CC)CC(=O)N1CC(Cc2ccc(F)c(F)c2)C1 934421516 GFIHTIWZODOGEI-GFCCVEGCSA-N 293.357 3.568 30 20 CHED CO[C@@H](C)C(C)=NNc1ncc(C(F)(F)F)cc1Cl 763116073 JXFSKHQRWMNEAB-ZETCQYMHSA-N 295.692 3.577 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1sccc1O 769781396 HCKUXERGERHYMI-UHFFFAOYSA-N 291.332 3.506 30 20 CHED CCC1(C(=O)O[C@H](C)c2cccc(C#N)c2)CCC1 764612194 HFSDEBVEWCLLFD-GFCCVEGCSA-N 257.333 3.743 30 20 CHED C[C@H](CC(=O)OCCCCC(C)(C)C#N)c1ccncc1 768777204 YZQXHLRULLWCBY-CQSZACIVSA-N 288.391 3.838 30 20 CHED COC(=O)c1cccc(NN=Cc2c(C)cccc2C)c1 779827804 PENBBUKQXCSPAZ-UHFFFAOYSA-N 282.343 3.536 30 20 CHED C=CC[C@@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccncc1 772065983 SZDUDTOGHQCEPY-LSDHHAIUSA-N 272.392 3.641 30 20 CHED CCC(=NNc1cccc(OC)n1)c1cc(F)ccc1F 779819372 NWBDSQXYUBEZMN-UHFFFAOYSA-N 291.301 3.595 30 20 CHED CC(C)Oc1ccc([C@@H]2CCCC2=NNC[C@@H](C)C#N)cc1 776775055 ALUCSXRZBUFMEY-YOEHRIQHSA-N 299.418 3.847 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CC[C@@H]2SCCS[C@H]21 773137360 PUGGSKVYLLZKSO-CRWXNKLISA-N 271.495 3.700 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1c1cccc(CC#N)n1 1116636611 QWNVOCKVUTULGO-ZFWWWQNUSA-N 257.381 3.553 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1F 776727251 UCUKIPIFPSOLOP-QPJJXVBHSA-N 269.250 3.733 30 20 CHED C=CCN(C(=O)[C@@H]1CCc2c(Cl)cccc21)C(C)C 775712760 HJBHWNHJEWWJFE-CQSZACIVSA-N 277.795 3.793 30 20 CHED CCC1(O)CCC(/N=C/c2cc(Cl)ccc2O)CC1 771521179 REUPUSHJUACIOP-LICLKQGHSA-N 281.783 3.548 30 20 CHED C=C(CC)COC(=O)c1cc(Br)cs1 773499652 FCFLWAODMHCQAY-UHFFFAOYSA-N 275.167 3.634 30 20 CHED C=C(CC)COC(=O)c1ccc(-c2csc(N)n2)cc1 775884057 FCNOZBHPCOGFKA-UHFFFAOYSA-N 288.372 3.515 30 20 CHED Fc1c(Cl)cccc1NN=Cc1cccc2nccn12 771099017 CAKCHOCZUQCJEI-UHFFFAOYSA-N 288.713 3.573 30 20 CHED Cc1cccc(Cl)c1NC(=O)Cc1ccccc1CC#N 776970262 IACLFQIEJSISDX-UHFFFAOYSA-N 298.773 3.896 30 20 CHED Oc1cccc(/C=N/CC2(Cc3ccccc3)CC2)c1O 771835899 GQJDQLAIKAQNPU-XDHOZWIPSA-N 281.355 3.540 30 20 CHED C=C(CN[C@@H]1CC[C@@H]2SCCS[C@@H]21)c1ccccc1 775383013 SRFVTNOOAWNRBS-OWCLPIDISA-N 291.485 3.669 30 20 CHED CCCCCC(CCCCC)=NN[C@H]1CCOC1 788445439 DNXZSFKMTNDZSZ-HNNXBMFYSA-N 254.418 3.882 30 20 CHED Cc1cc(C#N)ccc1N[C@H](C)c1ncccc1C 1120890186 WFJKFPPRAGAFIS-CYBMUJFWSA-N 251.333 3.743 30 20 CHED Cc1cc(NN=C2CC(c3ccc(Cl)cc3)C2)ncn1 783843194 VMKPKRRRHRSXSO-UHFFFAOYSA-N 286.766 3.784 30 20 CHED Cc1ccncc1/C=C\C(=O)O[C@@H](C)c1cccc(C#N)c1 784865425 SMWFLSNBKFOEAH-AFNCTOJWSA-N 292.338 3.579 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCCc1csc(C)n1 1120813936 RCNHSWCHEPGDKL-OAHLLOKOSA-N 292.448 3.731 30 20 CHED C=C1CCC(C(=O)Nc2cccnc2C(F)(F)F)CC1 890969546 GNRCCNMIJPPSJF-UHFFFAOYSA-N 284.281 3.785 30 20 CHED CC(C)(C)[C@H]1CCN1C(=O)c1cccc(SCC#N)c1 1135024955 TZNQJEWWMDYIPN-CQSZACIVSA-N 288.416 3.563 30 20 CHED N#Cc1ccccc1COC(=O)CCCc1ccsc1 783256572 OECQSYWWCSSULE-UHFFFAOYSA-N 285.368 3.686 30 20 CHED CCC[C@@H](C)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 891460214 OFALETZUHPMKRC-CQSZACIVSA-N 299.418 3.636 30 20 CHED O=C1/C(=C/c2cccc(Cl)c2)Cc2cc(O)ccc21 780187140 BPVMLJGEAYLMOD-WUXMJOGZSA-N 270.715 3.868 30 20 CHED CC(=NOC1CCCC1)c1cnn(C(C)(C)C)c1C 787161983 HZPUMZCAIMJFCX-UHFFFAOYSA-N 263.385 3.630 30 20 CHED Cc1cc(C(=O)/C=C/c2cnn(CC3CCC3)c2)oc1C 899370711 KBAIJEMATQBSNW-VOTSOKGWSA-N 284.359 3.789 30 20 CHED CC1(C)C(=NNc2ccnc(F)c2)C[C@@H]1Oc1ccccc1 789037550 NURDJINSBQOXSN-HNNXBMFYSA-N 299.349 3.866 30 20 CHED Cc1ccc2cc(C=NOCCC(F)(F)F)ccc2n1 783525226 WUXFNBKFALBISY-UHFFFAOYSA-N 282.265 3.846 30 20 CHED CNc1ccc(C#N)cc1NC(=O)/C=C(/C)c1ccccc1 798265161 AHJXWSXVZQREOE-RAXLEYEMSA-N 291.354 3.642 30 20 CHED N#Cc1cccc(C(=O)O[C@H]2C=CCCCCC2)c1 793402588 QEQVLAJRDHQNQD-HNNXBMFYSA-N 255.317 3.604 30 20 CHED CCC(=NNc1nc(C)cc(C)n1)c1cccc(C)c1 794855939 BYDOCACNLWGLQW-UHFFFAOYSA-N 268.364 3.628 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CC[C@H]2CCC[C@@H]2C1 797960100 IRAGQCNTXZEURM-JHJVBQTASA-N 273.332 3.585 30 20 CHED FC(F)Oc1ccc(NN=C2CCC23CCOCC3)cc1 799877578 BRSSQAFBLOCLFN-UHFFFAOYSA-N 296.317 3.647 30 20 CHED Cc1csc(NC(=O)N(C)[C@H]2CCCC[C@@H]2C)c1C#N 1204890009 VEWIWHKSSGQWHT-GWCFXTLKSA-N 291.420 3.971 30 20 CHED FCC[C@H]1CCCC1=NNCc1ccccc1Cl 794902026 SHTZRVHCXVTQAF-LLVKDONJSA-N 268.763 3.945 30 20 CHED N#CCC1(COC(=O)C2CC(c3ccc(F)cc3)C2)CC1 796927268 JTLYVQWNRXNNLE-UHFFFAOYSA-N 287.334 3.556 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1csc3ccccc13)C2=O 794962796 XPSRZPXJKHZWIG-DHZHZOJOSA-N 294.379 3.847 30 20 CHED CC(C)(C#N)CCOC(=O)CCSCc1ccccc1 795847252 BISOKXCHXSVBPW-UHFFFAOYSA-N 291.416 3.793 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(F)cc2O)c1F 799893031 WABOKEFMVWYQAS-VMPITWQZSA-N 290.265 3.575 30 20 CHED C#CCOc1ccccc1CNc1ccc(F)c([C@@H](C)O)c1 796520381 UKDCLXBPNITHBO-CYBMUJFWSA-N 299.345 3.503 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Oc1ccccc1Cl 799458252 SZWCUMYZGZACPR-KTKRTIGZSA-N 283.714 3.830 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 794056069 OQJUOSMMXDHAKY-QGZVFWFLSA-N 287.378 3.903 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798476044 VDENNJJKALJZLQ-YGRLFVJLSA-N 298.308 3.617 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1 1355067284 UCTHUEHJEICBGC-UHFFFAOYSA-N 262.312 3.688 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1cccc(Cl)c1 1317913236 PAUNRETYOVVDSU-VURMDHGXSA-N 288.730 3.950 30 20 CHED N#Cc1cnc(NCC2(Cc3ccc(F)cc3)CC2)c(F)c1 1161623297 WZADGCBXKAMYJC-UHFFFAOYSA-N 299.324 3.666 30 20 CHED Cc1cc2ccccc2nc1NN=C[C@@H](C#N)C(C)C 1319971516 YBJINHTVCMBNMG-CQSZACIVSA-N 266.348 3.737 30 20 CHED C=CCCCN[C@H]1CCN(Cc2ccccc2)CC1(C)C 390894355 JCWSKPKJTRNCMF-SFHVURJKSA-N 286.463 3.843 30 20 CHED C=C[C@H](COC)N[C@@H]1CCc2c1ccc(Cl)c2Cl 1325619716 JPPJJRHTAXZTGT-NOZJJQNGSA-N 286.202 3.771 30 20 CHED CC(C)(C)OC1CC(CCNc2cccc(CC#N)n2)C1 1320766117 HHDKKVXRYPMOIE-UHFFFAOYSA-N 287.407 3.543 30 20 CHED CC(=NNCc1ccc(F)cc1)c1ccc(Cl)c(N)c1 1324925047 NTWURKZVOXFUGO-UHFFFAOYSA-N 291.757 3.575 30 20 CHED COc1cc(CN(C)[C@@H](C)CCC#N)ccc1SC 276272221 DCUHMLZKCOASFO-LBPRGKRZSA-N 278.421 3.541 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CC[C@H](SC)C1 1324736756 PREJGVWBHOKSFP-OLZOCXBDSA-N 284.469 3.514 30 20 CHED CCc1nnc(-c2ccccc2Oc2ccccc2C#N)o1 1322121562 IBUBTJRWSYYISX-UHFFFAOYSA-N 291.310 3.963 30 20 CHED N#CCN(C(=O)c1ccc(-c2cccs2)s1)C1CC1 1320873252 JEQIQXCGMRECQV-UHFFFAOYSA-N 288.397 3.605 30 20 CHED N#Cc1ccccc1CSc1nc2cnccc2s1 702992713 BCYHXISRAVCLQQ-UHFFFAOYSA-N 283.381 3.855 30 20 CHED N#CC1(CCOC(=O)CC#Cc2ccccc2)CCCCC1 1325564330 KMRSAVYUFMSYQN-UHFFFAOYSA-N 295.382 3.836 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](C2CCCCC2)C1 708816060 ATHKCFFWHTYBLX-MRXNPFEDSA-N 261.409 3.609 30 20 CHED CC(C)(C)OCCCCOC(=O)CC#Cc1ccccc1 1320998611 FAKKOMOGUGVVQD-UHFFFAOYSA-N 288.387 3.567 30 20 CHED N#Cc1ccc(COc2cccc3ncccc23)cc1 192814247 WRGYSRCDJSKQQE-UHFFFAOYSA-N 260.296 3.685 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)ccc1Cl 562511238 CIPSOVFQFPGZHB-KWBADKCTSA-N 274.751 3.586 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)c(Cl)c(C)c1 565732711 KWLIAWPSSLCQLH-AWEZNQCLSA-N 264.756 3.835 30 20 CHED CS[C@@H](C)CCC(=O)Nc1ccc(Cl)cc1C#N 1332581317 XZTPBCSUUQRLIQ-VIFPVBQESA-N 282.796 3.682 30 20 CHED Cc1ccc(Cl)cc1C/N=C\c1cccc(O)c1O 1262668940 IJOCBHYMURURLU-IUXPMGMMSA-N 275.735 3.679 30 20 CHED C=C[C@@H](COC)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 1343276521 TWARWTROYBQNKK-RISCZKNCSA-N 287.325 3.600 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)N(C)CC2 1347705217 JCYVCRWFNCRDGQ-MRXNPFEDSA-N 299.418 3.641 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1ccc(Cl)s1 1346077024 IUYOTEIQJFYSEF-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)O[C@@H]1CC[C@@H](C#N)C1 1342610067 FXUSNEOTFPSAJC-CHWSQXEVSA-N 286.375 3.616 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2ccccc2OCC#N)C1 1275106606 LFCODDQNTPKTLF-CYBMUJFWSA-N 287.359 3.715 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CCC[C@@H](CC)C1 1359149133 OPNVXAYYDVSMOF-GFCCVEGCSA-N 294.830 3.534 30 20 CHED C=C1CCC(C(=O)Nc2nc(C)ccc2CC)CC1 1350232350 UUBWHXRPDUAHGH-UHFFFAOYSA-N 258.365 3.637 30 20 CHED CC[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1357158280 YDACIEOAGPAGGK-LBPRGKRZSA-N 295.342 3.730 30 20 CHED COc1ccc(NC(=O)[C@H](C)c2cccc(C)c2)cc1C#N 1288068735 DXLRCWQQKXTXLH-CYBMUJFWSA-N 294.354 3.618 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)CCOC(C)C)c1cccs1 1515590036 QNPCVYKGQIRUKF-WFASDCNBSA-N 295.404 3.697 30 20 CHED C[C@@H]1CC=CC[C@H]1COC(=O)C1(c2cccc(C#N)c2)CC1 1523861702 BXQQAWTUYVQZCB-ZBFHGGJFSA-N 295.382 3.735 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cccc(C#N)c1 1460832032 HFQXSKVXUBUTRC-LSDHHAIUSA-N 270.376 3.503 30 20 CHED CCCc1c(NC[C@@H]2C[C@@H]2C)cnn1-c1cccc(C#N)c1 1462122360 RGAGZLFCVUCRTE-ZFWWWQNUSA-N 294.402 3.764 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)C1(C#N)CCCCC1 1463080124 FBSCEBQEMIMLBG-UHFFFAOYSA-N 284.403 3.736 30 20 CHED C[C@@H](COCc1ccccc1)CSc1cccnc1C#N 1473030983 CQTXUFUPTXXJSR-AWEZNQCLSA-N 298.411 3.898 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@@H]1Nc1cncc(C#N)n1 1612231161 IBCGGARXLFONIY-MAUKXSAKSA-N 292.386 3.720 30 20 CHED N#C[C@@H]1CCCN(C/C=C\c2ccc(Cl)cc2)C1 1473781609 RYFBHTIKNVTEQB-VXYRWZGASA-N 260.768 3.589 30 20 CHED C[C@@H](CCC#N)CN1CCC(OCC2CCCC2)CC1 1621128444 FHNHMSHHLZMHAM-HNNXBMFYSA-N 278.440 3.597 30 20 CHED CNc1cc(Cl)ccc1C(=O)Nc1cc(C)cc(C#N)c1 1639055958 WNSKICUUPSPYOH-UHFFFAOYSA-N 299.761 3.814 30 20 CHED Cc1cc(N2CCC(CCC(C)C)CC2)c(C#N)cn1 1642407903 UZQWOXOOJALGRM-UHFFFAOYSA-N 271.408 3.914 30 20 CHED Cc1cc2c(NC(=O)CC(C)(C)C3CC3)n[nH]c2cc1C#N 1644426026 WSSYUGQRWJSIRD-UHFFFAOYSA-N 296.374 3.508 30 20 CHED CC1(C)CN(CCC2(C#N)CCCCC2)CC(C)(C)O1 1642741166 FMKRJQYXXWNOAW-UHFFFAOYSA-N 278.440 3.740 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(C(=O)O)c1Cl 1588732252 XOKAJBZGSABILE-UHFFFAOYSA-N 281.739 3.579 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1Cc1ccc(C#N)cc1OC 1652892733 DQGGNPMWRVBJTE-PBHICJAKSA-N 286.419 3.967 30 20 CHED C=C(Cl)CN1CCN(CC(F)(F)F)c2ccccc21 1653512366 LDQAKVJXMIUPIP-UHFFFAOYSA-N 290.716 3.628 30 20 CHED N#Cc1cnc(NC2(Cc3cccc(F)c3)CCC2)c(F)c1 1655398580 DDFQBSBZQXEMJT-UHFFFAOYSA-N 299.324 3.809 30 20 CHED N#Cc1cnc(Oc2cncc(-c3ccccc3)c2)c(F)c1 1651915268 IJKBQMPEINRHBI-UHFFFAOYSA-N 291.285 3.947 30 20 CHED C=CCCCCCN[C@H](C(=O)O)c1ccc(Cl)c(F)c1 1588799897 OCQWONCQUBLGMB-AWEZNQCLSA-N 299.773 3.941 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)cc1OC)C(C)(C)C 1587690357 LKHKNMOOISIMIQ-OAHLLOKOSA-N 288.391 3.511 30 20 CHED CCc1c[nH]c2ncnc(Sc3cccc(C#N)c3)c12 1655235901 KJLYLNMKUKDSJH-UHFFFAOYSA-N 280.356 3.543 30 20 CHED C=CC[C@H](S[C@H](C)c1ccc(F)cc1)C(=O)O 1588759280 RKGUEHGWBFGBAS-SKDRFNHKSA-N 254.326 3.649 30 20 CHED Cc1cc(C=NNc2ccc(C(=O)O)c(F)c2)c(C)s1 1776074845 XXDQCOGUTKFOPV-UHFFFAOYSA-N 292.335 3.648 30 20 CHED C=CCN(Cc1ccc(C)cc1)[C@@H](C(=O)O)c1ccccc1 1776180136 IZGXKWNBMUQYBF-GOSISDBHSA-N 295.382 3.809 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2F)cc1 1776114744 ZNIRKEBTKPHVGI-MDZDMXLPSA-N 284.286 3.728 30 20 CHED C=C(Cl)CNC1[C@H]2CC[C@H]1Cc1ccccc1C2 161004143 CCYRXDLAFWHUFX-GJZGRUSLSA-N 261.796 3.522 30 20 CHED C=C(C)CNC(=O)Cc1cc2c(ccc3ccccc32)o1 161262521 AYUPKLDFACNFDE-UHFFFAOYSA-N 279.339 3.821 30 20 CHED Cc1ccccc1NC(=O)CSc1cccc(C#N)c1 158766261 BIMQSBVGAGIXPH-UHFFFAOYSA-N 282.368 3.598 30 20 CHED C=C(C)CN(CC)C(=O)c1cncc(-c2ccccc2)c1 160824095 PTJULVVHZCNNPV-UHFFFAOYSA-N 280.371 3.787 30 20 CHED CCN(CC)CCSCc1ccc(C#N)cc1Cl 163434865 KMUZKYGTOUCDDW-UHFFFAOYSA-N 282.840 3.787 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(-c2cccs2)nc1C 151817790 MSQCKAWQVQAYAK-MRXNPFEDSA-N 299.399 3.541 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3ccc(C)cn23)cc1 151374669 RMTPXOIUTIQPCC-CMDGGOBGSA-N 276.339 3.847 30 20 CHED Cc1ccc(C(=O)OC[C@H](C#N)Cc2cccs2)cc1C 153287747 MPLNYTBZNPBUPQ-AWEZNQCLSA-N 299.395 3.904 30 20 CHED CCCCCCCCC(=O)NC[C@](C)(O)c1cccs1 156244926 ULPLLKXSMPSCFB-INIZCTEOSA-N 297.464 3.822 30 20 CHED C=C(C)CNC(=O)Nc1ccc2c3c(cccc13)CC2 156298361 QAWZYXQNTLCGJU-UHFFFAOYSA-N 266.344 3.636 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)cc2Cl)c(C)o1 225780246 ICPNZYLKRLTBKY-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 124158380 RCWKZTNXAQABMW-UHFFFAOYSA-N 282.265 3.584 30 20 CHED C=CCCOCCNC[C@@H](c1ccccc1)C(C)C 232707751 LMECRQXTFLDQJQ-QGZVFWFLSA-N 261.409 3.609 30 20 CHED CCc1ccc(NCc2ccc(C#N)c(OC)c2)cc1 234156477 OFVGHFJANWWKQU-UHFFFAOYSA-N 266.344 3.741 30 20 CHED N#Cc1ccc(F)c(CNCCc2ccc(Cl)cc2)c1 42336092 PNLWSPVOIRYJCT-UHFFFAOYSA-N 288.753 3.683 30 20 CHED CC[C@@H](C(=O)NC1(C#N)CCCCC1)c1ccccc1 40216423 ZOXUIOMGLJRWCN-OAHLLOKOSA-N 270.376 3.523 30 20 CHED CCc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 44844786 VAGDTFWXFLNLOB-UHFFFAOYSA-N 265.316 3.765 30 20 CHED C[C@@H](CC(=O)NC1(C#N)CCCCC1)c1ccccc1 299259375 JAPKBHOHNAZBCU-AWEZNQCLSA-N 270.376 3.523 30 20 CHED N#Cc1ccc(OCCOc2ccc(F)c(Cl)c2)cc1 70168672 BESDEXYZIFVYSS-UHFFFAOYSA-N 291.709 3.809 30 20 CHED Cc1nc([C@H](C)NCc2ccc(C#N)c(F)c2)c(C)s1 404645406 ODZNRAFWHBFYOE-VIFPVBQESA-N 289.379 3.622 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cccc(C#N)c2)C1 75984672 CLEWPILIAVGPLT-SWLSCSKDSA-N 271.364 3.601 30 20 CHED N#Cc1ccncc1NCc1cc(Cl)sc1Cl 312746829 ADNQWBDBBYUEKX-UHFFFAOYSA-N 284.171 3.934 30 20 CHED CC(C)[C@@H]1CCCC[C@H]1NCCc1cccc(C#N)c1 467451894 ZRLSVLMHZWYHHE-ZWKOTPCHSA-N 270.420 3.905 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2CF)cc1C(F)(F)F 338808589 QFWHXKGBGJOOBS-LLVKDONJSA-N 272.245 3.515 30 20 CHED N#Cc1cc(F)cc(NC(=O)Cc2ccc(Cl)cc2)c1 720281086 BYHHYRYVYOPZDQ-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CC(=NNCc1ccccc1)c1ccc(Cl)s1 916344619 WHAZGUIGVKITBY-UHFFFAOYSA-N 264.781 3.915 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc(F)cc1O 398072219 AIXKWRPTTPSYBU-RYUDHWBXSA-N 251.345 3.927 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cccc(C)n1 7499535 ULZVYYMGISMQAL-UHFFFAOYSA-N 284.384 3.920 30 20 CHED C=CC1CCN(Cc2csc(C(C)C)n2)CC1 111257501 WMRPTYQYIKJZHN-UHFFFAOYSA-N 250.411 3.665 30 20 CHED N#Cc1ccc(NC(=O)c2ccncc2Cl)c(Cl)c1 226348440 AZVUVGVUNPETDC-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(F)c(Cl)c1 179327053 GEBMKXOEYBUPBC-FNORWQNLSA-N 292.741 3.726 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CCc1ccccn1 112184222 LDARBFZQDQKORZ-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C=CCn1c(SCCCC)nc2sccc2c1=O 57917137 XMQCIQXISWSLSW-UHFFFAOYSA-N 280.418 3.536 30 20 CHED N#CCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCCC1 57624824 BPSFCKOIVWONIF-UHFFFAOYSA-N 296.292 3.614 30 20 CHED CC1(C)CCC/C(=C\c2nccn2CC(F)(F)F)C1=O 177021501 RMOSMQZSEMCAMI-CSKARUKUSA-N 286.297 3.608 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Cl)s2)C1 116814330 XQIHUZJQJZYTTF-NOZJJQNGSA-N 282.796 3.604 30 20 CHED C[C@@H]1CCC[C@H]1NCc1cccc(OCCCC#N)c1 105504974 DECVIRUJDBRAPK-RHSMWYFYSA-N 272.392 3.647 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 346820033 VLNVAJDSMPSZFU-KCQAQPDRSA-N 255.365 3.642 30 20 CHED N#CCCCOC(=O)c1ccc(CCC(F)(F)F)cc1 178526024 GFQCCUHKZAWCEO-UHFFFAOYSA-N 285.265 3.642 30 20 CHED CC(C)C[C@H](C)CC(=O)N(C)c1cccc(C#N)c1 67819664 AXDUFRJGEOTVMU-ZDUSSCGKSA-N 258.365 3.593 30 20 CHED C=CCOc1ccc(OC(=O)CC[C@@H]2CC[C@H](C)O2)cc1 174755354 UNERYKIAQPFRCF-ZFWWWQNUSA-N 290.359 3.505 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc(C#N)cc2)c1 116608776 CJCISTHENLDMGP-VQHVLOKHSA-N 265.287 3.902 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cccc(C)n2)c1 66463315 SDZNHRZUGONQPD-UHFFFAOYSA-N 282.343 3.597 30 20 CHED N#Cc1c[nH]c(C(=O)N2CCCCC[C@@H]2c2ccccc2)c1 176108398 CEEZXKPKRBJBHG-QGZVFWFLSA-N 293.370 3.644 30 20 CHED CC1CCC(=CC(=O)Nc2ccc(CC#N)cc2)CC1 114635154 HGMVDIKUFSKNEF-UHFFFAOYSA-N 268.360 3.828 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1CCc2ccccc21 115368910 UXEOFAWZOPTGFO-KRWDZBQOSA-N 298.430 3.895 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCC(C)(C)C1 348540707 JKOXXFKADGEPQD-CYBMUJFWSA-N 264.413 3.744 30 20 CHED C=C(Br)COc1cccc(Cl)c1F 307465310 IKDLWXNZQFRQJQ-UHFFFAOYSA-N 265.509 3.767 30 20 CHED CC(C)CN1CC[C@@H](CNc2ccc(C#N)c(Cl)c2)C1 301613519 TYJWXJNVNNJJJQ-ZDUSSCGKSA-N 291.826 3.601 30 20 CHED C=CCCC(=O)Nc1c(C)cc(Br)cc1OC 60365037 QRJXRGBGSXYNNB-UHFFFAOYSA-N 298.180 3.671 30 20 CHED CC[C@@H]1CCCCN1CCNc1ccc(Cl)cc1C#N 303529708 DRMAWVIOMMRHRD-OAHLLOKOSA-N 291.826 3.888 30 20 CHED N#CCCCOc1cccc(Nc2ncc(Cl)cn2)c1 301486249 HROQQPGIXQLNNK-UHFFFAOYSA-N 288.738 3.556 30 20 CHED COCCOc1cccc(/C=C/C(=O)c2occc2C)c1 119041152 VLKGKLMTVQAGGL-VOTSOKGWSA-N 286.327 3.509 30 20 CHED C=CCCO[C@H](C)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 69357566 ARICMFRMEGAHRO-RDTXWAMCSA-N 299.414 3.646 30 20 CHED Cc1cccc2c(CCC(=O)O[C@@H](C#N)C(C)C)c[nH]c12 176799219 ACOQQTGIPQDQJL-HNNXBMFYSA-N 284.359 3.500 30 20 CHED N#Cc1ccc(F)c(CSc2nncc3ccccc23)c1 119306625 FASOTPHJWOQGJG-UHFFFAOYSA-N 295.342 3.933 30 20 CHED CN(CCC(C)(C)C#N)Cc1nc(C(F)(F)F)cs1 119959093 HUZCWOHIRQURRU-UHFFFAOYSA-N 291.342 3.534 30 20 CHED COCCC1(CNc2ccc(C#N)c(Cl)c2)CCC1 301661843 MXLJOEYBEATMPI-UHFFFAOYSA-N 278.783 3.830 30 20 CHED C[C@H](CC#N)N(C)C(=O)C(C)(C)Cc1cccc(Cl)c1 1350036535 HHPQIOWKCFAVNR-GFCCVEGCSA-N 292.810 3.669 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccc(C)s1 65775806 AOGJUKOOLNFAQH-UHFFFAOYSA-N 285.412 3.927 30 20 CHED CCCCCCCCCCN1CCC(C(=O)NC)CC1 172648771 IXFBIYMXHXHKPV-UHFFFAOYSA-N 282.472 3.585 30 20 CHED COc1cccc2c1CC[C@@H]2Nc1ccc(C#N)cc1F 301635459 KSGWJVFRNWEARD-HNNXBMFYSA-N 282.318 3.805 30 20 CHED Cc1cnc([C@@H](NCCCC(C)(C)C#N)C2CC2)s1 185276772 XYBLDMHKSHCEAV-ZDUSSCGKSA-N 277.437 3.822 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2c(F)cccc2F)s1 213232653 WDAALBXNBOCQHD-PLNGDYQASA-N 294.278 3.621 30 20 CHED N#Cc1cnc(Oc2ccc3ncccc3c2)c(Cl)c1 358869895 CIHYLCUELJURSD-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CC[C@H](C#N)OC(=O)c1coc2cc(C)c(C)cc12 187529233 QGYULQGOFJKUBD-LLVKDONJSA-N 257.289 3.509 30 20 CHED COc1cccc(C(=O)/C=C/c2cccc(F)c2F)c1 78560841 YUDOEFBATLXHJO-CMDGGOBGSA-N 274.266 3.870 30 20 CHED CC(C)C1CCC(N(C)C(=O)CC(C)(C)C#N)CC1 508568408 JOTMTMIBNLYQIV-UHFFFAOYSA-N 264.413 3.599 30 20 CHED N#Cc1ccc(C2=CCN(c3ccc(C#N)cc3)CC2)cc1 502780088 GPJIAONZPJQIRL-UHFFFAOYSA-N 285.350 3.724 30 20 CHED C=CCC[C@@H](NC[C@@H](C)c1nccs1)C1CC1 186745374 PHKYQISCOSWPAJ-DGCLKSJQSA-N 250.411 3.581 30 20 CHED C=CCc1ccc(OC(=O)c2sccc2C#N)c(OC)c1 128004035 NDTRCAFRAYDGJI-UHFFFAOYSA-N 299.351 3.576 30 20 CHED Cc1c(F)cccc1NC(=O)CCc1ccc(C#N)cc1 73393161 OJDPVTDUNWRMEX-UHFFFAOYSA-N 282.318 3.577 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CCCN1Cc1ccccc1 174397021 MREHBIJLBVPIRO-GOSISDBHSA-N 299.462 3.571 30 20 CHED C#CCCCCC(=O)NCc1c(C)oc2ccccc12 184030651 FOYRNRCVJNDTEC-UHFFFAOYSA-N 269.344 3.551 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416112297 VRAVCVOOCVCCFZ-IRXDYDNUSA-N 296.414 3.878 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@H](C)C[C@H](C)O)c2c1 78298955 VZMZJGZWKBYLHI-OCCSQVGLSA-N 297.402 3.542 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/C=C/c1ccccc1)CO2 34098524 XEDXCCIPPOQHAP-MSNJMMSUSA-N 292.334 3.910 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1OCC1CC1 77724066 BUHQZWXUICWZTB-NSHDSACASA-N 292.354 3.701 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CC12CC3CC(CC(C3)C1)C2 120661690 JYERVMZWFZNYGY-UFPBRMSXSA-N 288.435 3.647 30 20 CHED N#Cc1cccnc1NCCc1c[nH]c2ccc(Cl)cc12 78469457 HQFDLKMHONFZJY-UHFFFAOYSA-N 296.761 3.743 30 20 CHED CC1(C)CN(CCC2(C#N)CCCCC2)[C@H]1[C@@H]1CCCO1 411752936 OSTQWQCSQMIYEA-HOTGVXAUSA-N 290.451 3.740 30 20 CHED O=C(/C=C/c1cccc(OC(F)(F)F)c1)c1ccncc1 182245113 LUTLRKLKLUBGBS-SNAWJCMRSA-N 293.244 3.876 30 20 CHED CCCOc1ccccc1OCc1cc(C#N)ccc1OC 316682994 XLWSIIITIMWFKQ-UHFFFAOYSA-N 297.354 3.935 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)CC[C@@H](C(F)F)C2 416384442 DYOASBYHTVKQQV-LLVKDONJSA-N 272.298 3.785 30 20 CHED C=C(C)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 182612818 YCBGNIFRKWXVKQ-AWEZNQCLSA-N 285.309 3.655 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2ccccc2C#N)c1 182277074 YNHUJQBEAJUSOA-UHFFFAOYSA-N 278.355 3.746 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccccc1C#N 524757327 UXDOGTPRGCAAEU-KEYYUXOJSA-N 254.377 3.711 30 20 CHED C[C@H](N[C@H](CO)CC1CCCCC1)c1cccc(C#N)c1 417365270 LXIULPYNNIYILM-KSSFIOAISA-N 286.419 3.540 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2csc(Cl)c2)C1 188038233 SVBULEQGSHRXIX-NOZJJQNGSA-N 282.796 3.604 30 20 CHED N#CCCC[C@H](NC(=O)NC[C@@H]1CC12CC2)c1ccccc1 416743724 WESPWPFYDJPUJY-HOTGVXAUSA-N 297.402 3.521 30 20 CHED CC1(C)CCC(C(=O)N2CCc3cc(C#N)ccc32)CC1 416012474 LQWCVUAIQJAELU-UHFFFAOYSA-N 282.387 3.664 30 20 CHED Cc1c(C#N)c(SCc2ccncc2F)nc2c1CCC2 412990174 PBSHMAPTFVPIAH-UHFFFAOYSA-N 299.374 3.577 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc(Cl)c(OC)c1 410129114 XCGDOKWQYPXGEF-CYBMUJFWSA-N 295.810 3.752 30 20 CHED Cc1ncsc1C[S@@](=O)CCC1(C#N)CCCCC1 417180925 PAVZHXDLEOOTTI-IBGZPJMESA-N 296.461 3.564 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2ccc3scnc3c2)CCC1=O 328935766 FPXCUEXCFKWNTJ-ZJUUUORDSA-N 288.372 3.890 30 20 CHED C[C@@H]1CCC[C@@H](C)N1Cc1cn2ccccc2c1C#N 342341823 UPLLRZXLGSGZEM-ZIAGYGMSSA-N 267.376 3.574 30 20 CHED N#Cc1ccc(CSCC2(C#N)CCC2)c(F)c1 419584229 PDKLSFQESHUDCJ-UHFFFAOYSA-N 260.337 3.624 30 20 CHED N#Cc1ccc(OCCNc2ccc(F)cc2Cl)cc1 48429010 XYABAVMYMHOMEJ-UHFFFAOYSA-N 290.725 3.842 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1cc(F)cc(F)c1 88305103 DDAFVWZYKUPWCB-HNQUOIGGSA-N 286.277 3.796 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2CCCc3sccc32)C1 193295622 HIZNBTUJCKCVQQ-SCRDCRAPSA-N 260.406 3.797 30 20 CHED C=CCCC(=O)Nc1cc(Cc2ccccc2)ccc1O 81459853 IKJHAQURMABXAZ-UHFFFAOYSA-N 281.355 3.888 30 20 CHED COc1cccc(/C=N/C[C@@H](C)Oc2cccc(C)c2)c1O 132357358 FKRXFKGNCOCGNL-ONDHQXCVSA-N 299.370 3.596 30 20 CHED C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](C)C1 425035464 IJJPGAWMPCCINI-INMHGKMJSA-N 284.403 3.721 30 20 CHED C[C@H]1[C@@H](C)SCCN1c1nc(C(C)(C)C)ccc1C#N 613426444 HLUBOMYRHMVBCD-NWDGAFQWSA-N 289.448 3.581 30 20 CHED C=CCCCCCNc1cccc(CS(C)(=O)=O)c1C 195449139 HXGNKLGIYACUKN-UHFFFAOYSA-N 295.448 3.698 30 20 CHED C#CCCCC(=O)Nc1ccc(C)c(C(F)(F)F)c1 192047621 MYFLOZGBHJYAFF-UHFFFAOYSA-N 269.266 3.756 30 20 CHED CC[C@H](C#N)Sc1ccccc1Br 43557636 HCCNCEUFCOYEAA-MRVPVSSYSA-N 256.168 3.843 30 20 CHED C#CCCCC(=O)N1Cc2ccccc2-c2ccccc2C1 192103401 MMWXJEMMXKEBDX-UHFFFAOYSA-N 289.378 3.999 30 20 CHED COc1cccc([C@H]2C[C@H](Nc3snc(C)c3C#N)C2)c1 517287652 XVAXUAAHOMGADF-JOCQHMNTSA-N 299.399 3.690 30 20 CHED N#Cc1c(F)cccc1OCc1ncccc1C(F)(F)F 428069928 MHUZEUFOUGUDKT-UHFFFAOYSA-N 296.223 3.690 30 20 CHED N#Cc1csc(CNCc2cc3c(s2)CCCC3)c1 531117561 KZKRTJLBNUYIAG-UHFFFAOYSA-N 288.441 3.850 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)NCC(C)(C)CCC#N 513113887 TXLYAUUGFMKBGD-OAHLLOKOSA-N 293.455 3.927 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)cc2OCC)CCC1 191877017 APTORNIXANMICR-UHFFFAOYSA-N 277.339 3.909 30 20 CHED C=CCN(CCC#N)Cc1ccc(Br)c(C)c1 428846831 RVRCSGOKZSLKKS-UHFFFAOYSA-N 293.208 3.659 30 20 CHED C[C@H]1C[C@H](C)N1C(=O)Nc1ccc(C(C)(C)C#N)cc1 336523568 BDDHJIYIGOAQAK-RYUDHWBXSA-N 271.364 3.502 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/[C@H](C)C(C)C)c1C 331096709 ARPJZTJNQDLTPB-WDEREUQCSA-N 266.389 3.533 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)[C@@H]1c1cccnc1 335323520 ZAOUCZJWUQQMMF-OAHLLOKOSA-N 283.400 3.598 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(Br)o2)no1 424214809 DKWGUVVPWGHVLC-UHFFFAOYSA-N 297.152 3.946 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 92892177 KRZAQBZFWVDSRO-DOMZBBRYSA-N 292.810 3.717 30 20 CHED CCN(CCCC#N)CCc1ccc(C(F)(F)F)cc1 425533057 DKWAXGHLTYOAJX-UHFFFAOYSA-N 284.325 3.874 30 20 CHED CC1(C)CC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 332476026 NSSOOEXDXACNBR-GFCCVEGCSA-N 277.755 3.522 30 20 CHED C[C@@]1(C#N)CCCN(Cc2sccc2Cl)C1 618819418 CEEOYJOKIKULCO-LBPRGKRZSA-N 254.786 3.527 30 20 CHED C=CCn1c(N2CCCC3(CCC3)C2)nnc1C(C)(C)C 337855029 KVVYIEJBPOMRKI-UHFFFAOYSA-N 288.439 3.532 30 20 CHED CN(Cc1ccc(F)c(Cl)c1)[C@H]1CC[C@@H](C#N)C1 339127793 XTRJPOZBQOLIBW-PWSUYJOCSA-N 266.747 3.603 30 20 CHED N#CCC1(CN[C@@H](CCc2ccccc2)C(F)F)CC1 430750178 MRMZLIWDMTWQRA-AWEZNQCLSA-N 278.346 3.536 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccc(F)cc2)c1 98002997 REBXUIKNCVXETR-WTKPLQERSA-N 251.260 3.593 30 20 CHED CC[C@@H]1CCC[C@@H]1/N=C(/O)c1oc(CC2CC2)nc1C 330006498 FCZJCMIUMSMMJK-OLZOCXBDSA-N 276.380 3.819 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c(C#N)s1 91208395 IEUVAPZKHXGKJW-GHMZBOCLSA-N 288.416 3.902 30 20 CHED CN(c1nccc(C#N)c1Cl)C1CCCCCC1 234282770 SGTZIGMUCUXZBF-UHFFFAOYSA-N 263.772 3.766 30 20 CHED CCOc1ccc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)cc1OC 331270933 GGIKBJKEBCNNDU-VXGBXAGGSA-N 292.379 3.608 30 20 CHED CC(C)CN(CCCC1(C#N)CCOCC1)CC(C)C 337144357 ZXCDWLAJXHBTRZ-UHFFFAOYSA-N 280.456 3.701 30 20 CHED N#Cc1ccncc1NC[C@@H]1CCCO[C@H]1c1ccccc1 94150202 HDCKXDJHWKYWTC-WMZOPIPTSA-N 293.370 3.533 30 20 CHED Cc1cc(NC(=O)C(C)(C)C#N)ccc1-c1ccncc1 335086075 GDAOMYMZHUBREK-UHFFFAOYSA-N 279.343 3.545 30 20 CHED C[C@@H]1CC[C@H](C/N=C(/O)c2ccc(Cl)cc2[N+](=O)[O-])C1 331088718 UDYLZPVDMZQPRB-ZJUUUORDSA-N 296.754 3.989 30 20 CHED C=CCC(C)(C)CNC(=O)NC1CCCCCC1 432569088 WMZVNNIRCBFZSM-UHFFFAOYSA-N 252.402 3.611 30 20 CHED C[C@H](C#N)CN(C(=O)c1cc(F)c2ccccc2c1)C1CC1 343683556 WVELWVLWEQKCTJ-GFCCVEGCSA-N 296.345 3.743 30 20 CHED CC(C)COc1ccc(NCC(C)(C)CCC#N)cn1 344835250 SUOKJNROCKYSCD-UHFFFAOYSA-N 275.396 3.858 30 20 CHED C=C(Cl)CN1C[C@@H](c2ccccc2C)OC[C@@H]1C 247641847 SZKCLFRKVJXTNN-ZFWWWQNUSA-N 265.784 3.509 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@H](CCC#N)c1ccccc1 248576580 PIRZPKWFECHRCV-OFQRWUPVSA-N 272.392 3.830 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccoc2)s1 430614942 ANUFVTWGHBYVPE-SNVBAGLBSA-N 274.345 3.524 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](Cc1cccc(C)c1)C1CC1 436310535 RNOLOZBQQGFQOB-AQNXPRMDSA-N 299.458 3.887 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ncc(C(C)(C)C)s1 438521615 BRLVSVQJUFTPCH-UHFFFAOYSA-N 281.425 3.871 30 20 CHED N#CCCCNC(=O)N1CCCCC[C@@H]1c1ccccc1 345815617 LXEKCPVSCIJYAC-MRXNPFEDSA-N 285.391 3.617 30 20 CHED CC[C@H](C)CNCC#Cc1ccc(C(F)(F)F)cc1 527355298 HCBGPLRKDORWHH-LBPRGKRZSA-N 269.310 3.693 30 20 CHED CCOc1cccc(C=Nc2ccccc2OC)c1O 254838673 LKQISVVAEWXFIE-UHFFFAOYSA-N 271.316 3.550 30 20 CHED CC(C)C1CCC(N[C@H](C)CC2(C#N)CCOCC2)CC1 602573276 AREBOHDGFCCNNV-KLAILNCOSA-N 292.467 3.890 30 20 CHED CCOC(=O)C[C@@H](C)S[C@@H](C#N)CCc1ccccc1 601076181 FWMAATOGXPKCQG-UKRRQHHQSA-N 291.416 3.586 30 20 CHED CSc1ccc([C@@H](C)Nc2cc(C#N)ccn2)cc1 343046488 RSSLWLKLDBKICU-LLVKDONJSA-N 269.373 3.848 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@](C)(c2ccccc2)C1 528567646 IEWLAIAXAGQHLJ-SFHVURJKSA-N 298.430 3.897 30 20 CHED C[C@H](Cc1ccc(F)cc1Cl)NCC(C)(C)C#N 602607524 MFHLLYJUSKRCGP-SNVBAGLBSA-N 268.763 3.549 30 20 CHED N#Cc1ccc(NC[C@H](O)C2CCCCC2)cc1Cl 609509332 QQHLCYODKVMIAY-HNNXBMFYSA-N 278.783 3.565 30 20 CHED C=C1CCN(C(=O)[C@H](C)CSc2ccccc2)CC1 347599643 SVZBXSFSMJNHEQ-CQSZACIVSA-N 275.417 3.593 30 20 CHED C[C@@H](OC1CCCCCC1)C(=O)NCC(C)(C)CCC#N 345875676 ADFXMOLEYJNEMH-CQSZACIVSA-N 294.439 3.560 30 20 CHED Cc1cc([C@@H](NCCCC#N)c2cccnc2)ccc1F 346800000 QJHKUDZHLAJQDO-QGZVFWFLSA-N 283.350 3.512 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2cccc(C(F)(F)F)c2)C1 600167840 ZOSJQMOEJLCQEL-GXTWGEPZSA-N 282.309 3.530 30 20 CHED Fc1ccccc1CON=Cc1ccccc1OC(F)F 250091075 VKWCMTBYPGZKLQ-UHFFFAOYSA-N 295.260 3.978 30 20 CHED N#Cc1cccc(CN2CC[C@H]2c2ccc(Cl)cc2)n1 602478476 YQTAWKMCNVWBFG-INIZCTEOSA-N 283.762 3.554 30 20 CHED C=C(CC)CSCC(=O)N[C@H](C)c1cccs1 358640789 YNPKRRVSVHUSKQ-LLVKDONJSA-N 269.435 3.625 30 20 CHED C=CC[C@H](C)NC(=O)N(CCC)Cc1ccc(C)cc1 604901006 QJVHCYYZHQQFOT-HNNXBMFYSA-N 274.408 3.881 30 20 CHED C=Cc1ccc(CCNc2c(C#N)cccc2C#N)cc1 359956594 YUMUKDHSFIKCJV-UHFFFAOYSA-N 273.339 3.728 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(F)cc2OC(F)F)C1 442849531 BSEVLQAPPCAHSD-PSASIEDQSA-N 270.254 3.531 30 20 CHED C=CC(C)(C)CN[C@H](C)CC(=O)Nc1ccccc1C 449485882 OUYAFLDUIXGWTQ-CQSZACIVSA-N 274.408 3.514 30 20 CHED COc1c(C)cc(CN2CCCC(C)(C)[C@H]2C#N)cc1C 446975036 NZSBVINSZNLJCN-MRXNPFEDSA-N 286.419 3.826 30 20 CHED C=C(C)[C@H](CC(=O)N(CCCC)[C@H](C)CC)OCC 533710263 MDCWRKMVELFTQV-CABCVRRESA-N 269.429 3.785 30 20 CHED CCc1ccccc1CNC1CCC(C)(C#N)CC1 449162013 HVGVEUWTOACOAK-UHFFFAOYSA-N 256.393 3.811 30 20 CHED C=CCCCSCC(=O)Nc1cccc(C(C)=O)c1 265412504 NMMNFPBZOHPWFL-UHFFFAOYSA-N 277.389 3.527 30 20 CHED CCOC(=O)CN(CCCCC(C)(C)C#N)C1CCCC1 444651536 HFWFHRVDZZBORV-UHFFFAOYSA-N 294.439 3.514 30 20 CHED Cc1nc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(C)s1 618801465 BAYVXSPVMMPSQJ-HWPZZCPQSA-N 297.427 3.970 30 20 CHED C=C(CC)CS[C@H](C)C(=O)Nc1ccc(OC)cc1 539094776 KBQFOVIODNHGGM-GFCCVEGCSA-N 279.405 3.722 30 20 CHED CC(C)(C)OCCCSCCOc1cccc(C#N)c1 610703545 WNADVTCWDCBTJD-UHFFFAOYSA-N 293.432 3.875 30 20 CHED N#Cc1ccc(CNCc2cc(F)cc(F)c2)cc1Cl 619748963 UKEAPNBWDLIRPC-UHFFFAOYSA-N 292.716 3.780 30 20 CHED CC1(C)CN(C(=O)C2(C#N)CCCCC2)c2ccccc21 610709230 ZLXWHPQRGJYPCZ-UHFFFAOYSA-N 282.387 3.785 30 20 CHED C=CCCC1(C(=O)Nc2ccc3[nH]ccc3c2)CC1 354115771 UAGNCRPFZADLKV-UHFFFAOYSA-N 254.333 3.853 30 20 CHED Cc1cc(COc2cccc3c2CCC3=O)ccc1C#N 447306342 QARMKZRZNUCFRX-UHFFFAOYSA-N 277.323 3.575 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccc(O)cc1)CC1CC1 269126307 JRVBKPLNMGRPLV-UHFFFAOYSA-N 299.414 3.899 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(CCC#N)CC(F)(F)F 531374938 AHNNSOIHGVFWPH-NEPJUHHUSA-N 290.329 3.507 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCC[C@]2(CCCCO2)[C@H]1C#N 448270205 DFGNOBAGIFJQDI-BRSBDYLESA-N 290.451 3.740 30 20 CHED CC[C@H]1c2ccccc2CCN1C(=O)c1cc(C#N)oc1C 619551184 LMCIGAKJSYYPAL-KRWDZBQOSA-N 294.354 3.609 30 20 CHED C[C@@H](C1CCC1)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 356713072 XKQFVUJJEXVDIJ-ZDUSSCGKSA-N 284.403 3.748 30 20 CHED C=CCC1(NC(=O)c2cccc(COC)c2)CCCCC1 456386802 UIBNLTPYFAELNV-UHFFFAOYSA-N 287.403 3.842 30 20 CHED N#CCSCCCSc1cc(F)ccc1F 266757390 USBYDBRKBZIXPT-UHFFFAOYSA-N 259.346 3.704 30 20 CHED C=C(C)[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(F)c(F)c1 451154809 MKCKGFYQSGBUHD-CJTUPEFNSA-N 281.346 3.738 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H]1c1nc2ccccc2n1C 618887220 MHANKASQMQVERH-RHSMWYFYSA-N 296.418 3.650 30 20 CHED C=C(C)CN1CCC(N[C@H](CCC)C2CCC2)CC1 453091304 CHNOWQIVWOJVAY-QGZVFWFLSA-N 264.457 3.585 30 20 CHED CC[C@@H](C)c1cc(C(=O)Nc2cc(C)cc(C#N)c2)on1 456964283 LPUCLZPSICGKTE-LLVKDONJSA-N 283.331 3.621 30 20 CHED C=CCC1(NC(=O)CCc2ccccc2OC)CCCC1 619106358 PAXISBSJTXVAQM-UHFFFAOYSA-N 287.403 3.633 30 20 CHED C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@H]2CCCC[C@@H]12 272904812 GSHLPZOKIIAMFB-JLSDUUJJSA-N 284.403 3.599 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N1C[C@@H]2CCC[C@H]2C1 362561405 NROAGWSLXDYOMI-QWRGUYRKSA-N 299.324 3.621 30 20 CHED N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)s1 362899628 ARLHCIOBGBNIIZ-OAHLLOKOSA-N 282.368 3.501 30 20 CHED C[C@@H](N[C@H]1COc2c(Cl)cccc21)c1cccc(C#N)c1 362796994 LKOUVQZLFSYCSC-BZNIZROVSA-N 298.773 3.996 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1cc(C)ccc1OC 458719623 BDHDJXFGYDKJLE-ZIAGYGMSSA-N 290.407 3.719 30 20 CHED CS[C@H](CNc1ccc(F)cc1C#N)C(C)(C)C 544062537 MMBTVSJKXINHBH-CYBMUJFWSA-N 266.385 3.887 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C2CC2)on1 279343193 FUGVDSMDEVAUST-UHFFFAOYSA-N 296.370 3.771 30 20 CHED CCC(C)(C)OCc1ccccc1NC(=O)C(C)(C)C#N 542562693 RINOPOJUCVAJRI-UHFFFAOYSA-N 288.391 3.880 30 20 CHED N#CCCCNc1nccc2cc(C(F)(F)F)ccc12 450432638 BDXVUPDHPCYBPG-UHFFFAOYSA-N 279.265 3.969 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)c1ccsc1 620858427 GQHLZBVOWOJTGK-LLVKDONJSA-N 251.395 3.713 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccccc1OCCOC 453586239 RMCZEBBUVZRDCQ-KGLIPLIRSA-N 263.381 3.724 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1cccc(CC#N)c1 455904912 KPGUEBZFPLSENV-LBPRGKRZSA-N 273.380 3.699 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(C)(C)C)C1 544183976 RZQVMUIJMWUGRK-CZUORRHYSA-N 256.393 3.987 30 20 CHED COc1cc(C#N)ccc1NC(=O)C1(CC(C)C)CCC1 545297394 LNOYCMJRLIYOBV-UHFFFAOYSA-N 286.375 3.722 30 20 CHED CCCC[C@H](CCC)NC(=O)N1CCC(CC#N)CC1 542855126 YCXAGOFGWUGYEQ-HNNXBMFYSA-N 279.428 3.681 30 20 CHED N#Cc1cc(F)ccc1NCC1(c2cccc(F)c2)CC1 462863832 PYILQIPACVPGIR-UHFFFAOYSA-N 284.309 3.980 30 20 CHED N#CCOc1cccc(NC2CC3(CCCC3)C2)c1 1334216900 GSZOIBUPIRRFSK-UHFFFAOYSA-N 256.349 3.724 30 20 CHED CO[C@@]1(C)C[C@H](Nc2c(Cl)cccc2C#N)C1(C)C 467009881 XDWFIXBRDGNHET-WFASDCNBSA-N 278.783 3.827 30 20 CHED C=C[C@@H](C)NC(=O)c1cc(Cl)ccc1SCC 465117819 ZVLVZPWOIUUSEA-SECBINFHSA-N 269.797 3.756 30 20 CHED C=CCC[C@H](NC[C@H]1CCCCN1C1CC1)c1ccco1 556878363 MOIHNJSQFQVWFS-SJORKVTESA-N 288.435 3.893 30 20 CHED COc1cc(CN[C@@H]2CCc3cc(C)ccc32)ccc1C#N 281655559 KJRLIMFWRSFCIZ-GOSISDBHSA-N 292.382 3.652 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)CC1CCCC1 461699205 KPYYSUDYASZJIG-UHFFFAOYSA-N 285.391 3.899 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC 289369786 JIVHEMSPEAVTPR-VIFPVBQESA-N 285.796 3.595 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc(C(=O)N(C)C)cc1 551834755 XASIWLRRGBIASP-OAHLLOKOSA-N 274.408 3.935 30 20 CHED C=CCCCCNC(=O)C[C@@H](C)c1ccc(OC)cc1 471709081 KVUXKDWTAVQVTA-CQSZACIVSA-N 275.392 3.661 30 20 CHED C=CCC1(C(=O)NCCSc2ccc(C)cc2)CCC1 477845094 VSJMSYFQAUMBBK-UHFFFAOYSA-N 289.444 3.950 30 20 CHED N#C[C@]1(C(=O)Nc2cccc3ncccc23)CC12CCCC2 297862096 OLHZLOUTHMBINI-SFHVURJKSA-N 291.354 3.647 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H]1CC12CCCCC2 477231030 XKMZTBDYMDXPSM-INIZCTEOSA-N 299.414 3.838 30 20 CHED Cn1cnc(/C=C/C(=O)c2cccc(Cl)c2Cl)c1 800793132 HSIGEMAMWWTNNV-AATRIKPKSA-N 281.142 3.623 30 20 CHED CCCCN(Cc1ccccc1O)c1nccc(C)c1C#N 800887309 OOMCPFUPWWNEPC-UHFFFAOYSA-N 295.386 3.774 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N[C@@H](C#N)C1CCCCC1 297710321 IBJMMKUJZWXEMY-KRWDZBQOSA-N 299.418 3.716 30 20 CHED C=CCn1c(-c2ccc[nH]2)nnc1N(CC)C1CCCCC1 558449549 DVWLQOSUXQEEDK-UHFFFAOYSA-N 299.422 3.618 30 20 CHED C[C@H](C#N)CNc1ncnc2scc(C(C)(C)C)c12 559175918 BZJQCWWLDBEKOR-SECBINFHSA-N 274.393 3.560 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCCc2sccc21 292243302 DSCCENHIUFHRQW-GFCCVEGCSA-N 263.406 3.844 30 20 CHED C=CCNC(=O)[C@@H](C)Nc1cc(-c2ccc(C)o2)ccc1C 479828182 GSVPLCRIJWDONM-CQSZACIVSA-N 298.386 3.666 30 20 CHED C=CCC[C@@H](CCC)NCC[C@H](O)c1ccccc1 809748010 YYRXFLLXZGCRLC-SJORKVTESA-N 261.409 3.835 30 20 CHED C[C@@H](C#N)OCCNc1ccc(COc2ccccc2)cc1 802745111 YQZSDAUIQFBONW-HNNXBMFYSA-N 296.370 3.606 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 474099030 WWTHPDKDJWRFAJ-KKUMJFAQSA-N 264.413 3.563 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c(F)cccc1SCC 291793911 WKLAQMIXHPMTAA-NSHDSACASA-N 297.395 3.857 30 20 CHED C#Cc1ccc(CNc2cc(OC)ccc2OCC)cc1 809600144 IKQDGHZRBWZEEJ-UHFFFAOYSA-N 281.355 3.687 30 20 CHED N#Cc1ccc(CN(Cc2ccccc2)CC2CCC2)nc1 568583656 FLVIMBSXXCLYEB-UHFFFAOYSA-N 291.398 3.756 30 20 CHED CC[C@@H](CC#N)NC(=O)C(C)(C)c1cccc2ccccc12 295056231 YESLEATXYJXJEP-HNNXBMFYSA-N 294.398 3.926 30 20 CHED N#CCCNC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 568739643 RDSDTUQGBCKWKP-KRWDZBQOSA-N 289.382 3.803 30 20 CHED Cc1nsc(NC(=O)C2(C)CCCCCC2)c1C#N 298541631 CVINWRBRZVSZBX-UHFFFAOYSA-N 277.393 3.622 30 20 CHED CC1(C)C[C@@H](Sc2cccc(F)c2C#N)CCO1 565240803 FUUKPCKIYAFRTO-JTQLQIEISA-N 265.353 3.747 30 20 CHED CC#CCN(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl 647541131 ZVIALYBOHOZPKM-SNVBAGLBSA-N 284.186 3.579 30 20 CHED CC(C)c1ccc(C(=O)N2CCc3ccc(C#N)cc32)s1 563789215 IRELVVABGRGUMP-UHFFFAOYSA-N 296.395 3.946 30 20 CHED N#CC1(C(=O)OCCc2ccccc2Cl)CCCCC1 805426459 WEDJFLGXVSPGLU-UHFFFAOYSA-N 291.778 3.900 30 20 CHED C[C@H](CC1CCCCC1)C(=O)NCCc1cccc(C#N)c1 563865108 XHRMRSCKGSKIOJ-OAHLLOKOSA-N 298.430 3.823 30 20 CHED CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccc(C#N)cc1 562569531 ZPLACYUGSVUGEU-RCBQFDQVSA-N 280.375 3.501 30 20 CHED COc1ccc(C(C)=NN[C@@H](C)C(F)(F)F)c(Cl)c1 819814110 WVXBNUFIDBVOKX-QMMMGPOBSA-N 294.704 3.613 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(N(CC)CC)cc1 814106711 YHBUMMHSHMJNRS-UHFFFAOYSA-N 288.435 3.751 30 20 CHED C=C(C)COc1cc(CN2CC[C@H](C)[C@H]2C)ccc1OC 560662438 HNUZKFFWWKGLSY-LSDHHAIUSA-N 289.419 3.880 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)C1(OC)CCOCC1 817419090 ATYKTDINXVEOAA-HOTGVXAUSA-N 283.456 3.685 30 20 CHED C=CCCN1CCN(C(=O)OC(C)(C)C)c2ccccc21 810052663 AZPJBZRIFTWVCM-UHFFFAOYSA-N 288.391 3.824 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C)c1cccc(NC(C)=O)c1 819960970 KWIACOITDCKGNE-GFCCVEGCSA-N 289.375 3.852 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 481682232 GWDKZZKDECYQQN-ABAIWWIYSA-N 289.354 3.788 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)c2ccc(C)o2)n1 815704807 QDVRACAWJCKBPG-NSHDSACASA-N 260.337 3.977 30 20 CHED C=CCC[C@@H](C(=O)NCCC(C)C)c1ccccc1 487597699 ZOSPAKZSSUWGHX-MRXNPFEDSA-N 259.393 3.899 30 20 CHED N#CCc1ccc(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1 573319036 MVTMJCBUFSJNFZ-DOTOQJQBSA-N 297.402 3.843 30 20 CHED CC[C@@H](CNC(=O)c1ccc(C#N)s1)c1ccccc1 486732253 QZRFXEIGQWOFHJ-LBPRGKRZSA-N 284.384 3.543 30 20 CHED C[C@@H]1C[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)C[C@@H](c2ccccc2)C1 576840961 MUDKYIIVCYMQOQ-IXPCIPTPSA-N 296.414 3.625 30 20 CHED COc1ccccc1CSc1nccc(C#N)c1Cl 572996447 YRIRDMCOVBKKGE-UHFFFAOYSA-N 290.775 3.908 30 20 CHED CC(=NNCC1(C)CCCC1)c1ccncc1Cl 817328957 PTEMIYGVKCWPHE-UHFFFAOYSA-N 265.788 3.629 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NN[C@@H](C)C(C)(C)C)C1 814938254 XYRPHAOHOUZSJE-KBPBESRZSA-N 296.455 3.900 30 20 CHED C=CCC(C)(C)CN[C@@H]1CC[C@H]2SCCS[C@@H]12 815636772 BOBNHJVEOUJEBE-UPJWGTAASA-N 271.495 3.558 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1ncccc1Cl 814810374 JTCYAKAQXACBLG-UHFFFAOYSA-N 277.730 3.905 30 20 CHED C=C[C@@H]1CCCCN1C(=O)COc1ccc2ccccc2c1 488834010 WNJBWFOPYKXGKY-QGZVFWFLSA-N 295.382 3.786 30 20 CHED C=CCCCCCCCNC(=O)N1CCC1(C)C 812492670 JYJYSZDSLXDWCD-UHFFFAOYSA-N 252.402 3.707 30 20 CHED N#Cc1ccc(CN(CC2CCC2)c2ccccc2)nc1 574384212 MQGPQEPGWZPTDS-UHFFFAOYSA-N 277.371 3.760 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cc(C(=O)O)cs1 814683511 DIYUZUQWQASFEA-UHFFFAOYSA-N 294.763 3.936 30 20 CHED N#Cc1ccc(CNC(=O)C2(F)CCCCC2)cc1Cl 810718387 GNPZBZWVWXMCFK-UHFFFAOYSA-N 294.757 3.500 30 20 CHED C=C(CC)CNC(=O)[C@H](C)c1ccccc1C(F)(F)F 654375413 OBLWAWNRRZTLNQ-LLVKDONJSA-N 285.309 3.891 30 20 CHED N#Cc1ccc(NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc1Cl 488510757 BWOHPZXJWGWIBP-DETPVDSQSA-N 290.794 3.565 30 20 CHED C=C(C)COc1cc(CN[C@]23CCC[C@@H]2C3)ccc1OC 657550784 KAVTWFNOSKLWTQ-QAPCUYQASA-N 287.403 3.682 30 20 CHED c1ccc(-c2noc(NN=C3CCCCCC3)n2)cc1 726739627 PBFBCPDSXOZPDL-UHFFFAOYSA-N 270.336 3.859 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2COc3ccccc32)CCCC1(C)C 573035205 YBDAAMQPUGSWCT-WBVHZDCISA-N 299.414 3.756 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(C#N)cc2)c2ccccc21 726740564 KATMZVOBANQRDQ-KHPPLWFESA-N 286.334 3.946 30 20 CHED C#Cc1ccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)cc1 825086780 VSUPXRDCXNMOGD-IAGOWNOFSA-N 297.423 3.739 30 20 CHED C#Cc1cccc(NC(=O)CCCN(CCC)CCC)c1 727753320 FSAWOHNWQNKANL-UHFFFAOYSA-N 286.419 3.509 30 20 CHED C[C@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)C[C@@H](C)O1 576224668 KXEKYSYFEMPEFI-ABFRBSLYSA-N 272.392 3.577 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ccc[nH]2)CCCCC1 827483383 HBGMFHKHUKVMEL-ZDUSSCGKSA-N 260.381 3.719 30 20 CHED C=CCC(C)(C)CNCc1ncc(C(C)C)s1 581468768 AZAMTTUBOMXFHR-UHFFFAOYSA-N 252.427 3.958 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc2c(F)cccc2s1 726559184 ADKOMHCSTIODHU-JTQLQIEISA-N 290.363 3.708 30 20 CHED Cc1ccnc(COc2c(C#N)cnc3ccc(C)cc23)c1 589854847 DFVXHHQITZJDBI-UHFFFAOYSA-N 289.338 3.697 30 20 CHED CCCCCCCSCc1noc2c1COCC2 901826092 TXKQHDPCOLGTPC-UHFFFAOYSA-N 269.410 3.951 30 20 CHED C=CCOc1ccc(-c2nc([C@@H](CC)OCC)no2)cc1 665032893 NXHKVHLZZXNPHG-CQSZACIVSA-N 288.347 3.789 30 20 CHED C=CCCOCCCCC(=O)O[C@@H]1CCC(C)(C)C1 820493177 NMWPXVCZXPYYFY-CQSZACIVSA-N 268.397 3.871 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@]1(C)CCc2ccccc2C1 490069719 XWWMHSWAFSNLLD-IBGZPJMESA-N 285.431 3.900 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C/c1cccc(O)c1O)CC2 730147865 VNTJFXXHNCZTRN-BFERYNQYSA-N 267.328 3.513 30 20 CHED Cc1ccc([C@H](C)N(C)c2cc(C#N)cc(C)n2)cc1 587295807 RGCCQQYDQYETHS-AWEZNQCLSA-N 265.360 3.768 30 20 CHED N#Cc1ccc(COc2ccc3c(c2)CCCC3=O)s1 580582052 LTZBSRAZAIMWEA-UHFFFAOYSA-N 283.352 3.718 30 20 CHED CCc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)ccc1F 588305616 ZAJQJNJXSXACNW-INIZCTEOSA-N 289.354 3.546 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2csc(C(=O)O)c2)c1 730149783 ZIXBMROKBRMKAG-ARJAWSKDSA-N 286.352 3.959 30 20 CHED CC[C@@H](N[C@@H](C)c1c(C)noc1C)c1cccc(C#N)c1 902803111 FSKQGBPABZVOOF-MEDUHNTESA-N 283.375 3.965 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1c1cc(C#N)cc(C)n1 588001989 UYEWGCHGHZDMSL-IUODEOHRSA-N 257.381 3.667 30 20 CHED O=C(c1ccco1)N(O)Cc1cc(Cl)cc(Cl)c1 900096801 PSWVJRNEJSHGNB-UHFFFAOYSA-N 286.114 3.618 30 20 CHED Cc1nc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)[nH]c1C 901488800 HUDXSCPIKKAIPH-GRRFOWRYSA-N 278.355 3.726 30 20 CHED CC(C)C[C@@H](C/N=C\c1c(O)ccc2ccccc12)C(=O)O 736403810 KOKVTRMWCYPYOB-KVMVOAJRSA-N 299.370 3.711 30 20 CHED N#Cc1sccc1C(=O)Nc1ccc(OCC2CC2)cc1 906685498 BVRYSSZCZRNZER-UHFFFAOYSA-N 298.367 3.661 30 20 CHED C=CCC(C)(C)C(=O)OCCc1cccc2ncccc12 835662672 RKUZKNWKEMJZEG-UHFFFAOYSA-N 283.371 3.923 30 20 CHED C=CC[C@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 835324076 PSLMTZLYBCHYOG-VVLHAWIVSA-N 286.371 3.805 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(SC(F)(F)F)nc2)C1 839191462 YAZKKFUKSJCPFK-BDAKNGLRSA-N 287.310 3.798 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccncc2)cc1Cl 588595986 SCLSVEBKSAPRAA-PLNGDYQASA-N 257.720 3.940 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C/c1ccsc1 732020101 LVINVCRWTDUTDK-BQYQJAHWSA-N 299.395 3.643 30 20 CHED CNC(=S)NN=C(C)c1ccc(C2CCCCC2)cc1 916265607 YLWIWZQPJUHOHO-UHFFFAOYSA-N 289.448 3.552 30 20 CHED C=CCN(C(=O)N[C@H]1CCc2cc(C)ccc21)C(C)C 919920516 YVOWGTPJBBYZCG-INIZCTEOSA-N 272.392 3.588 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 675488939 BHHDCXFLYFJKQZ-DLBZAZTESA-N 298.430 3.674 30 20 CHED C=C(CNC(=O)Nc1cc(C)ccc1F)c1ccccc1 672601252 COGCMFOSUSCKBB-UHFFFAOYSA-N 284.334 3.969 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccccc1C#N 915176241 HKTBLASQSSOQEF-LMQHERIESA-N 282.387 3.656 30 20 CHED CCCC1(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CCC1 593990427 GWIIWJAOYSUFBS-HNNXBMFYSA-N 298.430 3.823 30 20 CHED Cc1c(F)cccc1NC(=O)CC1(C#N)CCCCC1 597325755 KFYJMKPCKKRHES-UHFFFAOYSA-N 274.339 3.937 30 20 CHED CC[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(Cl)cc1 837322473 PEANXAHWIYBPDF-CQSZACIVSA-N 277.795 3.957 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 593479885 GYOAKHVFSJFWAP-ZMSDIMECSA-N 284.403 3.844 30 20 CHED COc1ccc(C=NNc2cccc(Cl)c2)c(OC)c1 916269518 UIDCCPJAWVXBEK-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CN(C)Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 596713278 NFSTZPBHOZAKID-UHFFFAOYSA-N 299.418 3.551 30 20 CHED CC(=NN=C(Cc1cccc(C)c1)C1CC1)c1cnccn1 745206388 BXKSGQAEONWRCG-UHFFFAOYSA-N 292.386 3.603 30 20 CHED C=C(C)CON=C(C)Cc1ccc(OC)c(OC)c1C 844620510 WNPFDUNBLBSCMC-UHFFFAOYSA-N 277.364 3.523 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(C)c(Cl)c(C)c1 844654581 JQSJDTCKTGRRIC-JTQLQIEISA-N 268.744 3.584 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ncc(C2CCCCC2)s1 593597618 BKVMHJICGSTENU-JTQLQIEISA-N 277.393 3.679 30 20 CHED C[C@H](/N=C/c1ccccc1O)c1c(F)cccc1F 917558675 UUOSEXVISSXUHC-NTOSSWPYSA-N 261.271 3.851 30 20 CHED O=C1CCc2cc(C(=O)/C=C\c3cccs3)ccc2N1 915993368 OMOYEKCQGFXUDJ-ALCCZGGFSA-N 283.352 3.529 30 20 CHED N#Cc1ccncc1N1CCC[C@H](c2ccc(F)c(F)c2)C1 599119259 SBSMTKXEGXNJKP-AWEZNQCLSA-N 299.324 3.615 30 20 CHED N#Cc1ccccc1/C=C\c1nc(C2CC(F)(F)C2)no1 590778558 TVAAAXIBSLOHEI-WAYWQWQTSA-N 287.269 3.624 30 20 CHED CCCC[C@H](C(=O)N1CCC[C@](C)(C#N)C1)C(C)C 598693235 AFEDQUDGVQBIGI-GOEBONIOSA-N 264.413 3.601 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)N(CC)CC#N 744347701 PKGVHFLRAKEITK-OAHLLOKOSA-N 252.402 3.745 30 20 CHED N#Cc1ccc(F)c(CNCc2cc3cc(F)ccc3o2)c1 742381741 GYFVDLGZJSQIBW-UHFFFAOYSA-N 298.292 3.872 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)[C@@H](C)c1ccccc1 595536697 SQBMZRKJLTVOTB-PMPSAXMXSA-N 299.418 3.514 30 20 CHED C=C(C)CNC(=S)N[C@H](CC)C(C)(C)c1ccccc1 741488361 SGDLMHJALBRLAX-OAHLLOKOSA-N 290.476 3.783 30 20 CHED Cc1cc(NC(=O)[C@@H](C)C2CCCC2)c(C#N)cc1N(C)C 591306692 YHSNNMVTDKVTON-ZDUSSCGKSA-N 299.418 3.698 30 20 CHED Cc1ccccc1CC1CN(Cc2ccc(C#N)cc2)C1 590967223 PTLJYYROHLLDMY-UHFFFAOYSA-N 276.383 3.541 30 20 CHED C=CCCCC(=O)N[C@@H](CC)c1ccccc1OC 748295122 IPLQLBSVQSGCNN-AWEZNQCLSA-N 261.365 3.619 30 20 CHED C[C@@H]1C[C@@H](C)N(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 740631923 FPWSULRKFZLFTE-NXEZZACHSA-N 293.823 3.639 30 20 CHED CC1(C)CC(=NNc2ccc(C#N)c(C(F)(F)F)c2)CO1 841623283 FQCOEVAKRJSWMT-UHFFFAOYSA-N 297.280 3.544 30 20 CHED C=CC[C@H](OC(=O)[C@H](CC)OCC)c1ccccc1 842340035 QAOQUFPCKAJQRT-GJZGRUSLSA-N 262.349 3.662 30 20 CHED C=CCC[C@@H](NCc1ccc(N(C)C)c(F)c1)C1CC1 747867286 WLOYBYGXDGFAGJ-MRXNPFEDSA-N 276.399 3.726 30 20 CHED CCCn1nc(C)c(-c2ccc(C)c(CC#N)c2)c1C 596640661 OJOIMCDZYRWRNV-UHFFFAOYSA-N 267.376 3.951 30 20 CHED Cc1c(C(=O)Oc2ccc(C#N)cc2)cnc2ccccc12 748791909 JNCYZXBPZDJIGW-UHFFFAOYSA-N 288.306 3.634 30 20 CHED C#CCN(C(=O)NC[C@H](C)c1ccccc1)C1CCCCC1 744817679 MKHDQNYWRMOTDP-INIZCTEOSA-N 298.430 3.768 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(F)c(F)c(F)c2)c1 741165924 SYHMKLCEDYOYPU-UHFFFAOYSA-N 295.260 3.959 30 20 CHED C=C(Cl)COC(=O)[C@H](c1ccccc1)C(C)C 745550151 WAZHVQZQELWUKN-ZDUSSCGKSA-N 252.741 3.722 30 20 CHED C=CCCCC(=O)Nc1ccc2c(cnn2C(F)F)c1 747140709 MWEISFXLJLNIEN-UHFFFAOYSA-N 279.290 3.726 30 20 CHED CCCCCCCCCn1cc(NC(C)=O)cn1 848513823 HMLNUPFFTOUEHE-UHFFFAOYSA-N 251.374 3.592 30 20 CHED CCC(CC)NN=C(C)c1c(Cl)cccc1[N+](=O)[O-] 758123301 NLVMICSEQHHKEY-UHFFFAOYSA-N 283.759 3.750 30 20 CHED CCCCNN=C1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] 753696649 JIQZQVWMVBLSGN-CYBMUJFWSA-N 289.379 3.683 30 20 CHED Cc1cc(C#N)ccc1Oc1ccc(C(=O)OCCF)cc1 757152656 UETSPAOYBKAOOD-UHFFFAOYSA-N 299.301 3.785 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1cc(SC)oc1C 850973041 LCIRTJDFLXLBBJ-HNNXBMFYSA-N 298.404 3.696 30 20 CHED N#C[C@H](C(=O)C1(C(F)(F)F)CCCCC1)c1ccccn1 850757176 XGRUXOMIKIFWPZ-NSHDSACASA-N 296.292 3.771 30 20 CHED CCn1ccnc1C=NNc1ccc(Cl)cc1Cl 755563876 XUTJTTPKCVXZRF-UHFFFAOYSA-N 283.162 3.656 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N[C@@](C)(C#N)C2CCCCC2)C1 753617232 JRERNCIVOAMQBI-YBVXIUISSA-N 274.408 3.712 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)NC1CCC(C)CC1 853783663 PASLJXNWRBZMHG-ZYXZCXLHSA-N 275.845 3.556 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(Cl)nc2C)no1 924246576 HNQIVXFNAYDSGF-HNNXBMFYSA-N 291.782 3.871 30 20 CHED C#CCNC(=S)N[C@H](CC(C)C)c1ccc(Cl)cc1 758247798 RUBIFENDWHZJEL-CQSZACIVSA-N 294.851 3.525 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C)cc2C(F)(F)F)C1 853801639 FRKZENFFUCLRCQ-NSHDSACASA-N 285.313 3.596 30 20 CHED C[C@H]1CC(CCOC(=O)C2(C#N)CCC2)C[C@H](C)C1 757076448 MDDQUQBKIDURAU-CHWSQXEVSA-N 263.381 3.686 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)CC(C)C)cc1 752097618 ATCJOFRBIJIRDI-HNNXBMFYSA-N 259.393 3.613 30 20 CHED C#C[C@@](C)(CC)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 854696962 QXBTZZSTTYKDLJ-HIFRSBDPSA-N 297.320 3.641 30 20 CHED CSc1cc(-c2cnn([C@H]3CCCCO3)c2)ccc1C#N 854208967 BUEDFRZXCJJKLX-MRXNPFEDSA-N 299.399 3.843 30 20 CHED C=C(Cl)CN1CCC(Oc2cc(C)ccc2C)CC1 920206492 KMRXGZIJECUOFT-UHFFFAOYSA-N 279.811 3.899 30 20 CHED CC(C)C[C@@H](CCO)CNc1nc2ccccc2cc1C#N 750029410 ILEZHDAGIKFBOW-CQSZACIVSA-N 297.402 3.563 30 20 CHED CCCCCCCNC(=O)N[C@@H](C)CC(F)(F)F 858113388 SCTCFSWPPCMJHA-JTQLQIEISA-N 268.323 3.597 30 20 CHED CC#CCCCCOC(=O)CC[C@H]1CC1(Cl)Cl 850955147 KOVSDMYTCKVDCZ-NSHDSACASA-N 277.191 3.697 30 20 CHED COc1ccc(C#N)cc1COC(=O)C1CCC2(CC1)CC2 850267432 YVNWNYUEEWJGMY-UHFFFAOYSA-N 299.370 3.580 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)cc2O)cc1OC 757474471 BSIPZHHFDVYFPR-VMPITWQZSA-N 298.338 3.614 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc(F)cc1Cl 755818409 RDQXELHRNWOEAH-CYBMUJFWSA-N 271.719 3.746 30 20 CHED C#C[C@@](C)(CC)NC(=O)C[C@H](C)c1c[nH]c2ccccc12 854701994 IMMUSIVCWHMTEU-UGSOOPFHSA-N 282.387 3.580 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H]1CCCc2ccccc2C1=O 759006187 CFIZUORBKFYRLD-QGZVFWFLSA-N 298.382 3.886 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(C)c(NC(C)=O)c1C 930311794 FIYMDBFJOAYPDK-AWEZNQCLSA-N 288.391 3.803 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)/C=C\c1ccccc1C#N 768934815 RNPMWWYZTUAUEA-SIKDUDHDSA-N 296.414 3.999 30 20 CHED C[C@@H](OC(=O)c1c(F)cccc1F)c1cccc(C#N)c1 764604487 GKBJYMBQWNBNAN-SNVBAGLBSA-N 287.265 3.754 30 20 CHED CCON=Cc1ccc(OCc2cccc(F)c2)cc1 767464953 WVYAFADOXYXCLF-UHFFFAOYSA-N 273.307 3.775 30 20 CHED Cc1ccc2c(c1)CN(c1cccc(F)c1C#N)CC2 1458474260 RJVYCXPSYWVUEG-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CCC(C#N)(CC)C(=O)OCc1coc(-c2ccccc2)n1 860194125 QYIXCQLEAXNIDM-UHFFFAOYSA-N 298.342 3.715 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N1CCC[C@@H](C#N)C1 931250944 SFVLFUWHHOIZTB-AWEZNQCLSA-N 299.418 3.887 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NOCC(F)(F)F 764840837 RMAYSFYYSNTXDO-UHFFFAOYSA-N 289.150 3.757 30 20 CHED Cc1cccc(C=NNCc2cnc3ccccc3c2)c1 764775945 SNSZVLZTZMUJDA-UHFFFAOYSA-N 275.355 3.667 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccc(F)c(C)c2)cc1 764744382 UMSNMCSIUBLIQA-HNNXBMFYSA-N 297.373 3.997 30 20 CHED C=CC[C@H](N[C@@H]1C[C@@H](OC(C)C)C1(C)C)c1ccncc1 765804267 RVCTXWVFKHJWJC-GVDBMIGSSA-N 288.435 3.881 30 20 CHED C[C@H](C=NOCC(F)(F)F)CCc1ccccc1 764834298 BOWJDRAMSMBHGJ-NSHDSACASA-N 259.271 3.820 30 20 CHED CC(=NNc1c(C)cccc1F)c1cncc(F)c1 769839264 BHOCSZCQPAGKTI-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C[C@@H](OC(=O)c1ccccc1SCC#N)c1ccco1 764784390 BASLUFXJQDQXMK-LLVKDONJSA-N 287.340 3.813 30 20 CHED C=CCN(C(=O)c1cc(C)n(Cc2ccco2)c1C)C1CC1 1116467725 OQRWXVMIMGIDLO-UHFFFAOYSA-N 298.386 3.537 30 20 CHED C=CCN(C(=O)Cc1c(C)oc2ccccc12)C(C)C 767057069 BUVGXFKUPLIUNO-UHFFFAOYSA-N 271.360 3.707 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC1(Cl)Cl 877593925 JSVGEUCJJDRGQR-JSGCOSHPSA-N 295.213 3.719 30 20 CHED CC(=NNc1ncccn1)c1ccc(C2CCC2)cc1 872342662 URAKYPPYSGUHKL-UHFFFAOYSA-N 266.348 3.580 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 777916390 ZCTKFOZAKHAFKU-VQHVLOKHSA-N 277.295 3.897 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1ccc(F)cn1 770604651 DMKSDEOEKDCXDN-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccoc2)c1 772982591 DOWZRMJTDWUIKU-CZUORRHYSA-N 284.359 3.811 30 20 CHED C#CCCCNC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 770709266 TUPDKJQWPAAEDW-OAHLLOKOSA-N 284.403 3.759 30 20 CHED C#CC[C@@H](CCOC)N[C@@H](C)CCc1c[nH]c2ccccc12 877661092 XCBWTTIRLVSAHY-RDJZCZTQSA-N 298.430 3.507 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1OCC(F)F 779985725 CHYUMGQLRKZZIR-UHFFFAOYSA-N 295.329 3.853 30 20 CHED C[C@H](C#N)CNN=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 771101482 ZOVOCMIOIYPXSE-SQWLQELKSA-N 269.392 3.695 30 20 CHED C=C1CCC(C(=O)NCc2cccc3cccnc23)CC1 888565490 LQOPEIUPEGUUCE-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1ccc(C)cc1C 775406784 VLNWKWAOUCSTOK-UHFFFAOYSA-N 294.354 3.959 30 20 CHED N#CCCCOC(=O)C1(Cc2ccc(Cl)cc2)CC1 771176474 FXMAYOWQWWBYDU-UHFFFAOYSA-N 277.751 3.510 30 20 CHED C#CCCCCC(=O)n1ccccc1=Nc1ccccc1 776306727 OBRJJUHFVZAMMS-UHFFFAOYSA-N 278.355 3.554 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H](OC2CCC2)CC1 1123848193 VGAKRHKHWAOQHK-MRXNPFEDSA-N 279.424 3.539 30 20 CHED CCCCCCN1C(=O)CS/C1=C\C(=O)C(C)(C)C 783553801 YHQMYQWCGPCFNN-UVTDQMKNSA-N 283.437 3.599 30 20 CHED CC1(C)CCC(C=NNc2ncncc2Cl)CC1 780280118 UGRWOAPFNFCQNQ-UHFFFAOYSA-N 266.776 3.744 30 20 CHED CC[C@H]1CCC[C@@H](C=NN2Cc3ccccc3C2=O)C1 783867546 QNKCMKWTVPUSIN-UONOGXRCSA-N 270.376 3.845 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2[nH]c3ccccc3c2Cl)C1 1122717595 KNNIYKMDWCZZEV-UWVGGRQHSA-N 288.734 3.670 30 20 CHED COCC(=NNc1cccc2ccccc12)C1CCOCC1 780218632 HUCFSIJAEPQZNW-UHFFFAOYSA-N 298.386 3.681 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3ccccc3c2)n(C)n1 789158990 JDJJEQJURVODDV-NTMALXAHSA-N 276.339 3.778 30 20 CHED N#CC1(C(=O)OCc2cccc(Cl)c2F)CCCCC1 786288977 LLJYCTHFUJDZJX-UHFFFAOYSA-N 295.741 3.996 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)Cc2ccc(F)cc21 782341299 IPLCJTWNKAXUDB-WDZFZDKYSA-N 285.343 3.982 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCCC2CCCC2)cc1 783556834 ZWWNZWGNUMTDHS-UHFFFAOYSA-N 288.391 3.966 30 20 CHED CCc1oc2ccccc2c1/C=C/C(=O)c1cc(C)nn1C 789156024 HXNCLYYMKCQZRY-MDZDMXLPSA-N 294.354 3.933 30 20 CHED Cc1ccc2c(Cl)c(C(=O)NCCC#N)sc2c1 787622110 BLJUDZMFJLEIGW-UHFFFAOYSA-N 278.764 3.507 30 20 CHED CN(C)C(=O)c1cccc(/C=C2\CCCC(C)(C)C2=O)c1 899363265 JRLLSOSKLRKJSH-SDNWHVSQSA-N 285.387 3.551 30 20 CHED Fc1cccc(NN=Cc2cccc3ccccc23)n1 795008524 KAKJKPUHKZTLNQ-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(C)c(C)c1O 793164796 ZFGPZDLJBQIONR-UHFFFAOYSA-N 289.766 3.894 30 20 CHED CC(C)[C@@H]1CCCC(=NNc2ncncc2Cl)C1 794535107 FXOZFDYVZQNJFX-SNVBAGLBSA-N 266.776 3.744 30 20 CHED Cc1ccc(C(=O)OCc2sccc2Cl)cc1C#N 799374912 SBXHEBIKZAXMSD-UHFFFAOYSA-N 291.759 3.939 30 20 CHED N#C[C@H](OC(=O)c1cc(S)ccc1F)C1CCCCC1 798724327 KAUGOEIYKROJAB-AWEZNQCLSA-N 293.363 3.744 30 20 CHED CCc1ccc(C=NOCc2ccccc2OC)s1 799120655 YTMWOGALVOTSEU-UHFFFAOYSA-N 275.373 3.870 30 20 CHED CCCC(=NNc1ncccc1F)c1ccsc1 794993357 MPAANUVAKZUVOA-UHFFFAOYSA-N 263.341 3.899 30 20 CHED C[C@@H]1COCC[C@@H]1C/N=C/c1c(O)ccc2ccccc12 794677974 YSMWDGKRTOJUQA-SYCAWLLHSA-N 283.371 3.637 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNCc2ccccc2N(C)C)o1 794956320 HCUNFNQPWOLATI-CJNGLKHVSA-N 297.402 3.593 30 20 CHED Cc1nc2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc2s1 799723346 GBIDMAULYLKYJZ-GHMZBOCLSA-N 257.362 3.709 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2cc(C)cc(C)c2)[C@H]1C 794480552 LMRHNTDCTHOHMG-KBPBESRZSA-N 288.391 3.681 30 20 CHED CC(=NNCCC(F)(F)F)c1ccccc1OC(F)F 794548599 VNRIORYTZPBYGI-UHFFFAOYSA-N 296.239 3.554 30 20 CHED Fc1cccnc1NN=Cc1ccc(C(F)F)cc1 794990661 QPXBKYPTLBBGFX-UHFFFAOYSA-N 265.238 3.604 30 20 CHED COCCCON=C1CCC2(CCCCC2)CC1 795051566 VWGVJNZZQSTKQV-UHFFFAOYSA-N 253.386 3.920 30 20 CHED Cc1ccc(NN=C2CCOc3cc(F)ccc32)cc1 794855572 VEXUWLYLKZYLPG-UHFFFAOYSA-N 270.307 3.733 30 20 CHED CCCCCCCS(=O)(=O)N(C)[C@H](C)c1ccccc1 799746417 KMGAWORMANDQLN-OAHLLOKOSA-N 297.464 3.980 30 20 CHED C=C(C1=CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1898227606 WGEJXYQGRHPJRU-UHFFFAOYSA-N 277.286 3.672 30 20 CHED CCN(CCC#N)[C@@H](C)c1nccc2ccccc12 1308661502 CSFNCCFYBBFMCY-ZDUSSCGKSA-N 253.349 3.531 30 20 CHED C=C(Cl)CN(C)[C@H]1C[C@H](OCC)C1(CC)CC 1167818391 FTPKJRSOJAEILP-STQMWFEESA-N 259.821 3.655 30 20 CHED CC1(C)CN(Cc2cc(C#N)ccn2)c2cccc(Cl)c21 1307566841 FIYVMEJFAITZTN-UHFFFAOYSA-N 297.789 3.904 30 20 CHED C=C(C)CCN1CCC[C@H]1C[C@H](O)c1cccs1 274820621 YDCSMBQJNBUHFV-KBPBESRZSA-N 265.422 3.602 30 20 CHED COc1ccc(Cl)cc1CCN[C@H]1CCC[C@@H](C#N)C1 1322129278 FGFBRAUSORTXJF-DOMZBBRYSA-N 292.810 3.563 30 20 CHED COCCCCSc1ccc(Cl)cc1C#N 601914144 UZJVEROVFKEESR-UHFFFAOYSA-N 255.770 3.730 30 20 CHED CCN(C[C@H]1CCCCO1)[C@@H](C)c1ccc(C#N)cc1 193760520 JDNMMSQBBVHWRL-WMLDXEAASA-N 272.392 3.510 30 20 CHED C(=NOC[C@@H]1CCOC1)C1CCC(c2ccccc2)CC1 1321653737 ZGBUUOLDNMDQBH-UPTPFMHGSA-N 287.403 3.999 30 20 CHED C#CCN(C(=O)c1sccc1Cl)C1CCCCC1 688847079 AQCUXWKOAWFTIM-UHFFFAOYSA-N 281.808 3.810 30 20 CHED CC(C)(C)c1ccc(-c2nnc(C#CC3CC3)o2)cc1 1330077973 IGSAAWWPXIVVHG-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=C[C@@H](COC)NC(=O)C1(C2CCCCC2)CCCCC1 1339565110 QFCYAVKKGULCEA-INIZCTEOSA-N 293.451 3.834 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(F)c2cccnc12 1262809849 QWNWNFKUQGYRSX-ZDUSSCGKSA-N 298.361 3.945 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1nc2ccccc2s1 1336349310 RDLIBDOUSHOQGK-LLVKDONJSA-N 274.389 3.830 30 20 CHED Cc1ncsc1CSCc1cccc(C#N)c1 1347397895 IGDQMOPJPSRMBA-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@@](F)(C#N)C1 1193430022 CRCBBOUMWWLBNL-SUMWQHHRSA-N 274.383 3.983 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cccc(Cl)c2F)C1 1343923003 MFAJVXCAPTUZNJ-PWSUYJOCSA-N 266.747 3.651 30 20 CHED COc1cccc(COC(=O)CCCCCC#N)c1Cl 1346770691 DGSHRZZYCAKBCT-UHFFFAOYSA-N 295.766 3.866 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1nc2ccccc2n1C(F)F 1348454130 MOBKODWRFMIVRO-MNOVXSKESA-N 292.333 3.774 30 20 CHED Cc1ccc(CNC(=O)c2ccc(C#N)c(Cl)c2)s1 155002388 GFTVIUQOQIXULG-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1ccc(C#N)cc1F 1519762399 ZNQTWCPODATGHM-GFCCVEGCSA-N 288.366 3.786 30 20 CHED C[C@@H](CCCC#C[Si](C)(C)C)OC(=O)c1nccs1 1526337074 SBHRJPHDIZXYEV-LBPRGKRZSA-N 295.480 3.740 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2sccc2C#N)CC1 1523533203 VJNZIZBPLCMOHD-JSGCOSHPSA-N 290.432 3.954 30 20 CHED CCCn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 1459143657 RPSMAMXHDOVYIE-UHFFFAOYSA-N 278.764 3.512 30 20 CHED C[C@H](OC(=O)[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 1524300879 CUFLKZAUXFOKBG-DVOMOZLQSA-N 271.360 3.989 30 20 CHED CC(C)c1cccc(C(=O)Nc2ccc(OCC#N)cc2)c1 1529648686 XNCWNJMAAOYWJN-UHFFFAOYSA-N 294.354 3.965 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1cc(C#N)c(F)cc1F 1462284215 WBXRUEVJLYLYPQ-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@H]1CCCC[C@@H]1OCCN1CCc2c(C#N)cccc21 1460269267 CEKBTJPRUPVHEO-KSSFIOAISA-N 284.403 3.516 30 20 CHED Cc1cc(C)c(C(=O)O)cc1NCc1ccc(C#N)s1 1600158673 FOAQRHZKJCOUDA-UHFFFAOYSA-N 286.356 3.547 30 20 CHED N#Cc1cc(Cl)ccc1SCCCCC(=O)O 1601088476 VYRYHDOXDGHTNV-UHFFFAOYSA-N 269.753 3.559 30 20 CHED CCCC[C@@H](C(=O)N1CCc2ccc(C#N)cc21)C(C)C 1537674914 TVBHTTMKAFHMMN-MRXNPFEDSA-N 284.403 3.910 30 20 CHED CN(c1ncc(C#N)cc1F)[C@@H]1CCC[C@H]1C(C)(C)C 1472809224 MNIWPPBZZYIROA-TZMCWYRMSA-N 275.371 3.743 30 20 CHED CCN1CCC(CN(Cc2ccc(C#N)cc2)C(C)C)CC1 1474319175 HZXXEDUNSFPSOE-UHFFFAOYSA-N 299.462 3.501 30 20 CHED Cc1cccc(CNc2ccc(OCC#N)cc2)c1 20126393 CHYWGHHYKWSRJQ-UHFFFAOYSA-N 252.317 3.510 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2sccc2C#N)C1 1626074793 ZCVQPZIGZONROM-GHMZBOCLSA-N 277.393 3.568 30 20 CHED C[C@@H]1C[C@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 1559069134 BRCHFCRXTYDVQG-OLZOCXBDSA-N 294.402 3.552 30 20 CHED N#CCc1ccc(Cn2cnc(-c3ccccc3)c2)cc1 1559466591 XLYOPWLTYSIGIC-UHFFFAOYSA-N 273.339 3.664 30 20 CHED N#CCC(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 1639419606 AJWSFOYGIUMOPE-UHFFFAOYSA-N 275.311 3.687 30 20 CHED C[C@H](CC#N)N(C)c1nc2c(F)cc(Cl)cc2s1 1639566805 QSIHPDSZXJQBRU-SSDOTTSWSA-N 283.759 3.827 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@H]1CCCC 1642621692 ZGIUSOMYOUKJOZ-VXGBXAGGSA-N 260.219 3.844 30 20 CHED Cc1cc(C)c(CCNc2nc(C)ccc2C#N)c(C)c1 1642480217 IBPQTKQIPYXQAD-UHFFFAOYSA-N 279.387 3.842 30 20 CHED N#Cc1cccc(C#N)c1NCc1cccc2[nH]ccc12 1640317012 ULHFAYFQUIABGY-UHFFFAOYSA-N 272.311 3.523 30 20 CHED Cc1cccc(OCc2cn3ccccc3c2C#N)c1F 1652770831 DGZTZNCAWAPAMS-UHFFFAOYSA-N 280.302 3.838 30 20 CHED C=C(Br)CN1CC[C@H](c2ccc(CC)cc2)C1 1654582518 JGBGEFGVHCNDQH-HNNXBMFYSA-N 294.236 3.947 30 20 CHED C[C@@H](CSCc1cc(C#N)ccn1)c1ccccc1 1656521498 WAUDRPXWALWAPI-ZDUSSCGKSA-N 268.385 3.990 30 20 CHED CCCCCCCCN[C@@](C)(C(=O)O)c1ccccc1 1595704317 FLNWYPYPRJDJKE-QGZVFWFLSA-N 277.408 3.937 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCc2c(F)cccc21 1669296759 ITWUKWAKNBTSOC-UHFFFAOYSA-N 295.317 3.600 30 20 CHED C=C(Br)CN(C)[C@H](C)C1CCCCC1 216751162 YOPREXMHJVETDV-LLVKDONJSA-N 260.219 3.796 30 20 CHED O=C(O)Cc1cccc(/C=C2\CCc3ccccc3C2=O)c1 1777651036 HGUBIQDCFOFPIE-LFIBNONCSA-N 292.334 3.526 30 20 CHED O=C(O)c1ccc(NN=C2CCCc3c(F)cccc32)cc1 1776012231 KAZIGAZFKVQBFC-UHFFFAOYSA-N 298.317 3.676 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@@H](C)c2ccc(C)c(C)c2)C1 1776157420 KNMJPFSKLJVVIK-MAUKXSAKSA-N 287.403 3.717 30 20 CHED C=CC[C@@H](Cc1ccccc1)Nc1nc(C)ccc1C(=O)O 1776151679 STBUGBMRWPAWEE-HNNXBMFYSA-N 296.370 3.688 30 20 CHED O=C(/C=C/c1ccc(F)c(C(=O)O)c1)c1cccc(F)c1 1776129778 WCDWKBGRFJXHMS-FNORWQNLSA-N 288.249 3.559 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)OCc1ccc(C#N)cc1 150747344 PHZZFPFPQWBQTP-CYBMUJFWSA-N 297.329 3.619 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(C#N)cc1 165214733 MKLKCGVFEHWICV-CQSZACIVSA-N 275.355 3.589 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(c2ccc(C#N)nc2)C1 286315643 IJLDJSBRQNVXAI-SUMWQHHRSA-N 263.344 3.541 30 20 CHED CC(C)n1cccc1C(=O)N[C@@H](CCC#N)c1ccccc1 156193997 BNYIXLUUNRMWOL-INIZCTEOSA-N 295.386 3.844 30 20 CHED CCN(C)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 155740628 BGEZQVIUYOSRHW-UHFFFAOYSA-N 294.354 3.751 30 20 CHED Cc1ccc(NC(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 155765770 QIWBIWAFVGXOPW-ZDUSSCGKSA-N 299.399 3.821 30 20 CHED C#CCCCCNC(=O)c1csc(-c2ccccc2C)n1 156541633 MHSLGWCAOGCNGA-UHFFFAOYSA-N 298.411 3.652 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)c2cc(C)ccc2O)cc1 156701393 VBYYKZJYZGTTGQ-UXBLZVDNSA-N 295.338 3.555 30 20 CHED C=CCCCCCN(C)C(=O)Cc1ccc(OC)c(F)c1 156833403 VKGMGYBLWWXAQW-UHFFFAOYSA-N 293.382 3.582 30 20 CHED CCOCCC1(CN[C@@H](C)c2ccc(C#N)cc2)CCC1 159960112 WIQSWUHFKKIFMA-HNNXBMFYSA-N 286.419 3.806 30 20 CHED Cc1ccc(NCc2cccc(C#N)n2)cc1Cl 1660748713 NOQSCIGVKUDUAM-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=CCCCCCCNc1cc(N)ccc1[N+](=O)[O-] 804851350 YNKAFCFEHAIDAR-UHFFFAOYSA-N 263.341 3.725 30 20 CHED CC1(C#N)CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 845513752 GWVORWQEVYOILQ-UHFFFAOYSA-N 297.717 3.517 30 20 CHED C#CCCOC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 858904533 TUPCOOMQWYSHPJ-CQSZACIVSA-N 277.339 3.662 30 20 CHED CC[C@H](Cc1ccccc1)NCc1cccc(C#N)c1 112466702 ZVEKBHYGYDZZDI-GOSISDBHSA-N 264.372 3.669 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(F)cc1C 165569085 ROUXRQWYNBXFLN-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CCCCCCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 182188308 GXCGZAOZZOWZMY-CQSZACIVSA-N 297.464 3.711 30 20 CHED C#CCC(C)(C)C(=O)N(Cc1ccccc1)CC1CCC1 185486902 XZKQOUBRUIDZIB-UHFFFAOYSA-N 283.415 3.865 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC[C@@H](F)C1 567853837 PWWHYRRKGFKHGE-HUUCEWRRSA-N 263.356 3.622 30 20 CHED C#Cc1cccc(NC(=O)CCSc2ccccc2)c1 71825987 BYFWLIDMXVLAGW-UHFFFAOYSA-N 281.380 3.789 30 20 CHED C[C@@H]1SCC[C@H]1Nc1cccc(Cl)c1C#N 309842285 QIYFMHYKGFNFMY-GZMMTYOYSA-N 252.770 3.518 30 20 CHED CSC[C@H]1CCCN(c2cccc(Cl)c2C#N)C1 311066399 JNGOSRLOPXEBGQ-NSHDSACASA-N 280.824 3.791 30 20 CHED Cc1ccccc1CN(CC#N)Cc1ccccc1 77409717 FWJUJCZQVNHSDH-UHFFFAOYSA-N 250.345 3.521 30 20 CHED COc1ccc(CNc2cccc(CC#N)c2)c(F)c1 313430842 UXJDXJYLYMDOCI-UHFFFAOYSA-N 270.307 3.512 30 20 CHED CSc1ccc(C)c(C(=O)Nc2ccc(C#N)cc2)c1 78717913 PCHLPQDEHQITGS-UHFFFAOYSA-N 282.368 3.841 30 20 CHED Cc1cc(F)ccc1CCNc1ncc(C#N)cc1Cl 447057572 FSSORCGDPPTJJM-UHFFFAOYSA-N 289.741 3.709 30 20 CHED CSCC1CCC(Nc2ncc(C#N)cc2Cl)CC1 450656750 WDDAAUVGCDKPQP-UHFFFAOYSA-N 295.839 3.940 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C(F)(F)F)ccc1F 94597496 GXUVCVSMXZKWDZ-UHFFFAOYSA-N 287.256 3.659 30 20 CHED CCOC(=O)CCCCCOc1cc(Cl)cc(C#N)c1 383537518 CMAAPJQPGFZDOZ-UHFFFAOYSA-N 295.766 3.714 30 20 CHED C=CCN(Cc1ccccc1)Cc1csc(Cl)n1 809571352 ONZUEZILBCRQFP-UHFFFAOYSA-N 278.808 3.985 30 20 CHED C#CCCCCNC(=O)c1cccc(C(C)(C)C)c1 821964057 BOYVVQRUXNAXDU-UHFFFAOYSA-N 257.377 3.517 30 20 CHED N#Cc1ccc(NCc2ccccc2Br)cc1 19951633 NZTACWRBCMBAAB-UHFFFAOYSA-N 287.160 3.933 30 20 CHED C[C@H](Sc1cccs1)C(=O)Nc1ccccc1C#N 20078187 WGNOQCKKIAGEPJ-JTQLQIEISA-N 288.397 3.739 30 20 CHED Cc1cc(C)c(CNCc2ccc(C#N)cc2)c(C)c1 37505882 VTHLWCFRJGEXHN-UHFFFAOYSA-N 264.372 3.773 30 20 CHED C=CCSCC(=O)Nc1ccc(Cl)cc1C 44260197 BXPKYXIVGDNGAP-UHFFFAOYSA-N 255.770 3.506 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@H]1CCCCO1 49212537 MOKKGBRILSSODQ-CRRKTRLDSA-N 269.344 3.533 30 20 CHED CC[C@H](CC#N)NCc1ccc(CSC(F)F)o1 54183622 DASDTGOFZIYGBI-SECBINFHSA-N 274.336 3.517 30 20 CHED CCCCC1CCC(C(=O)N(CCC#N)CCC#N)CC1 57613175 UUZVJZRKKOCKFM-UHFFFAOYSA-N 289.423 3.639 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1nccn1CC 60363439 DPOBYPWXQOKNBT-UHFFFAOYSA-N 295.839 3.806 30 20 CHED CN(Cc1cccc(F)c1)c1cc(Cl)ccc1C#N 62789868 PSDQYKCKPIAODT-UHFFFAOYSA-N 274.726 3.987 30 20 CHED Cc1ncc(CSCc2cccc(C#N)c2)s1 68976894 HSGMRNVBICPMNA-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1(C#N)CCCC1 70767277 WXDQERNNAMHKEX-OAHLLOKOSA-N 298.430 3.943 30 20 CHED CCCCCCCn1cnc2ccc(C)cc2c1=O 71341697 LWWQZSJDQGJAQU-UHFFFAOYSA-N 258.365 3.675 30 20 CHED N#CCSCCCN(C1CC1)[C@H]1CCc2ccccc21 72515180 JKYSILWMKAKUQR-KRWDZBQOSA-N 286.444 3.785 30 20 CHED N#Cc1cccnc1N(Cc1ccco1)Cc1cccs1 73274480 RPMBCMMOLFMBSH-UHFFFAOYSA-N 295.367 3.815 30 20 CHED C#Cc1cccc(N(C(=O)c2ccnc(Cl)c2)C(C)C)c1 77293684 XOOBMIIWGVFJAU-UHFFFAOYSA-N 298.773 3.772 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)Cc2ccccc21 78560833 WHZTXVQLBYFNDF-FMIVXFBMSA-N 256.251 3.787 30 20 CHED C=CCOc1ccc(Oc2ncc(C)cc2[N+](=O)[O-])cc1 78670801 ZBBIXVIBGYTMSV-UHFFFAOYSA-N 286.287 3.655 30 20 CHED CCCN(CCC)c1nc(C(F)(F)F)ccc1C#N 78833527 FLPWVKJCALHVPD-UHFFFAOYSA-N 271.286 3.598 30 20 CHED C=CCCCN1CCC[C@H]1c1nc2ccccc2n1C 84116427 AAWKODMKAFMBAY-INIZCTEOSA-N 269.392 3.676 30 20 CHED C[C@@H](Nc1ccc(OC(F)F)cn1)c1ccc(C#N)cc1 94135041 HRLOYYZEQXDODY-SNVBAGLBSA-N 289.285 3.728 30 20 CHED C=CCCC(=O)N(CC)Cc1ccc(Cl)s1 102220229 CUORAFNIEDNFKR-UHFFFAOYSA-N 257.786 3.716 30 20 CHED C=CCCC(=O)N(C)CCCOc1cccc(Cl)c1 102236014 SUAQYJYXHHJIHE-UHFFFAOYSA-N 281.783 3.534 30 20 CHED COc1ccc(/C=C/C(=O)C2CCCCC2)cc1[N+](=O)[O-] 106586667 UZFLKVZVUXXTQU-VQHVLOKHSA-N 289.331 3.766 30 20 CHED C=C(Cl)CN1CCSC[C@H]1c1ccccc1 115740350 GAQPEEXRIKYUAC-ZDUSSCGKSA-N 253.798 3.529 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1OC(C)C 117001043 CMLATSJDIBEHGP-GFCCVEGCSA-N 262.353 3.560 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(O[C@@H](C)CC)cc1 117003258 MWGOJRKKZRNQKX-OLZOCXBDSA-N 276.380 3.950 30 20 CHED C=C[C@@H](CC(=O)NCCOc1ccccc1)c1ccccc1 123116726 BRWGRRJZWOTGFN-INIZCTEOSA-N 295.382 3.542 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H](CC1CCCCC1)C(C)C 123500380 OMWYMWXFFQQUGL-GJZGRUSLSA-N 264.413 3.647 30 20 CHED CC[C@H](C)CS[C@@H](C)C(=O)Nc1ccccc1C#N 124238116 JBBVLOTYRFAQAR-RYUDHWBXSA-N 276.405 3.665 30 20 CHED CC(C)(NC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 124810556 GSRXAOSDJFMLFA-UHFFFAOYSA-N 297.333 3.754 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C1CC1)C1CC1 126369736 BJTJDKQBIRISOR-UHFFFAOYSA-N 287.378 3.777 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(F)c1F 127238801 SVFYJZCKBBNTSZ-UHFFFAOYSA-N 251.276 3.672 30 20 CHED C=CCn1c(S[C@H](C#N)CC)nnc1-c1ccc(C)cc1 127831499 AAIYOCNGXNMEFG-AWEZNQCLSA-N 298.415 3.834 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Oc1ccc(C#N)cc1 129341633 BSCNMTRFYPKFCU-KGLIPLIRSA-N 283.352 3.637 30 20 CHED CC(C)CCn1ccc(NCC(C)(C)CCC#N)n1 130177930 BOYDBXUXHROJGP-UHFFFAOYSA-N 262.401 3.671 30 20 CHED C#CCCCCN[C@H](C)c1ccc(OC)c(Cl)c1 130739813 MDKJHYRRLADHDW-GFCCVEGCSA-N 265.784 3.803 30 20 CHED CC[C@H](SC)C(=O)Nc1ccccc1SCCC#N 133950440 MHZLAZKCHMCYCT-LBPRGKRZSA-N 294.445 3.772 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1csc(C(C)C)n1 135008111 WPPODYOJTZJVMM-HNNXBMFYSA-N 280.437 3.528 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(OC)cc2O)cc1 143162548 FNQKIOZMRZIZTJ-WDZFZDKYSA-N 298.338 3.696 30 20 CHED CC[C@H](C#N)Oc1cccc(CNC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 156122096 KKTUKFYBHQRBFY-LEUOFYLZSA-N 296.414 3.669 30 20 CHED CC(C)CN(C(=O)CSc1cccc(C#N)c1)C(C)C 158710473 LQAFJIJABVOJTO-UHFFFAOYSA-N 290.432 3.543 30 20 CHED C=CC[C@H](C)N[C@@H]1CCSc2c(F)cccc21 163316474 YPKHDZPUEXFABG-GXFFZTMASA-N 251.370 3.917 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1cnn(C(C)C)c1)C2=O 171981519 DTGWSNNDNBSOOT-NVNXTCNLSA-N 296.370 3.685 30 20 CHED C=CCOc1ccc(OCc2noc(CCCC)n2)cc1 174231841 LBUFHRAKDXTITM-UHFFFAOYSA-N 288.347 3.556 30 20 CHED N#Cc1ccc(CN[C@@H]2CCSc3c(F)cccc32)o1 174253765 YHHBGZHQECLFRL-CQSZACIVSA-N 288.347 3.617 30 20 CHED CC[C@@H](NCC(C)(C)CCC#N)c1nc(C)cs1 174359547 FPWYPJIMULUNKC-GFCCVEGCSA-N 265.426 3.822 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)C1CC1 175321680 LWPFZBZJFYIIGK-UFBFGSQYSA-N 297.185 3.720 30 20 CHED CC[C@@H](CNCc1cccc(C#N)c1)Oc1ccccc1F 176990557 IPPXPCQUCDMNGC-INIZCTEOSA-N 298.361 3.645 30 20 CHED Cc1cccnc1[C@@H](NCc1cc(C#N)cs1)C(C)C 177702245 WWDWLPHXLCSNEJ-HNNXBMFYSA-N 285.416 3.810 30 20 CHED C#CCCCN[C@H](C)CC(=O)Nc1ccccc1C(C)C 178054843 NNPNCYZZEBAFMW-OAHLLOKOSA-N 286.419 3.530 30 20 CHED O=C(/C=C/c1ccccc1)c1ncc(Br)s1 179092389 SENJSAFTDJYKHO-VOTSOKGWSA-N 294.173 3.802 30 20 CHED C#CCSCCN[C@@H](C)c1ccc(SC)c(F)c1 181096922 VGHQGZRZAFSLHY-NSHDSACASA-N 283.437 3.565 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@H]2CCCC[C@@H]21 183052286 UXDUTNSZALJJHG-UNEWFSDZSA-N 297.402 3.909 30 20 CHED Cc1cnc([C@H](C)NCC#Cc2cccc(Cl)c2)s1 184996220 JSLXTXXBBCRDDT-LBPRGKRZSA-N 290.819 3.807 30 20 CHED C=C(C)CN1CCC(N[C@H](CCC)c2cccnc2)CC1 185384350 QMHAYSSVPFLIOO-GOSISDBHSA-N 287.451 3.553 30 20 CHED C[C@@H](CCc1ccccc1)N[C@@H]1CCC[C@H](C#N)C1 185758834 MZUAEFBXAISNIS-BHYGNILZSA-N 256.393 3.680 30 20 CHED C#C[C@H](C)NC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 186010856 LRKUTKODGKCEDP-STQMWFEESA-N 290.432 3.569 30 20 CHED C=C(C)[C@H](NCC1=CCCOC1)c1ccc(F)c(F)c1 187373316 NYVHZSAMXLRWMN-INIZCTEOSA-N 279.330 3.518 30 20 CHED C#Cc1cccc(NC2CCN(c3ccccc3)CC2)c1 188055502 AITCTROHUMMADZ-UHFFFAOYSA-N 276.383 3.749 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1C=CCCC1)c1ccccc1 188537863 KLWSJYXTKQKMGW-SJORKVTESA-N 269.388 3.961 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnc(Cl)cc1C 188884294 YINBGFGOXSKBKV-ZDUSSCGKSA-N 252.745 3.584 30 20 CHED N#CCc1ccc(NC(=O)c2csc(Cl)c2)cc1 188998510 SVUBMFPYWKYRST-UHFFFAOYSA-N 276.748 3.720 30 20 CHED CCC1(CC)CCCN(C(=O)NCCCCC#N)CC1 189344606 GAHMNYZIQUKBOV-UHFFFAOYSA-N 279.428 3.682 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)c(C)c1 191229055 HXAKFRLHODSOPD-VQHVLOKHSA-N 283.375 3.546 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(Br)cc1 191497856 BHNVKYFOKFUDQV-FZMZJTMJSA-N 295.224 3.662 30 20 CHED C=CCC[C@@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1ccccc1 192159917 PCJRKLSWZWSPEW-IAGOWNOFSA-N 299.414 3.769 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1ccc(OC(C)C)cc1 192756622 YVTOZKBZSWCMGJ-MDZDMXLPSA-N 285.343 3.975 30 20 CHED C[C@@H](Nc1ccc2c(c1)CCO2)c1ccc(OCC#N)cc1 193012074 KQHNVRQKWLAZQM-CYBMUJFWSA-N 294.354 3.697 30 20 CHED CC(C)(C)c1ccc(C(=O)/C=C\c2csnn2)cc1 209147149 AILBBXQHSVJAME-HJWRWDBZSA-N 272.373 3.732 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@@H]2C2CC2)cc1C(F)(F)F 230308669 QSCZLPVIIHSXJA-ZIAGYGMSSA-N 296.292 3.556 30 20 CHED CCC(CC)(CNc1nc2c(cc1C#N)CCC2)SC 230921162 VXYBDWXCMUOEDZ-UHFFFAOYSA-N 289.448 3.776 30 20 CHED CC(C)(C#N)CCCCS(=O)(=O)c1ccc(Cl)cc1 232522973 NLSJDQALBALJCQ-UHFFFAOYSA-N 299.823 3.834 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1ccc(Br)cc1C#N 235317574 YUVJMXXWPYXTBN-KWQFWETISA-N 297.221 3.627 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1cccc(F)c1 255338700 XLXRRXJPDGQJGM-HJWRWDBZSA-N 251.260 3.593 30 20 CHED CCN(CC)c1ccc(/C=N\C[C@@H]2CCCS2)c(O)c1 255354008 QNVNSPAEZBXOPE-ZCQLHAAUSA-N 292.448 3.553 30 20 CHED O=C(/C=C\c1ccc(OCC(F)F)cc1)c1ccco1 255623250 XXRVCKQFWAQIFD-YVMONPNESA-N 278.254 3.820 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C\c3c(C)noc3C)c2c1 255667952 COJHSOHHLCWMQH-ALCCZGGFSA-N 296.326 3.677 30 20 CHED N/C(=N/C[C@@H]1CCC[C@@H]1C1CC1)Nc1cc(F)ccc1F 263132727 NGLRMRJGUJNPJE-WCQYABFASA-N 293.361 3.518 30 20 CHED C=CCCC(=O)N(Cc1ccc(OCC)cc1)C(C)C 263728068 ZGNGTALGVBGBMG-UHFFFAOYSA-N 275.392 3.789 30 20 CHED C=CCCC(=O)N1CCC[C@H]1Cc1ccccc1Cl 263754924 CBMNNJNMQPSMEI-AWEZNQCLSA-N 277.795 3.840 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCCCC2)CC1 265484015 MIAQFCJBZOWMHI-INIZCTEOSA-N 297.446 3.570 30 20 CHED N#Cc1cc(Cl)ccc1N1CCCC2(CCOCC2)C1 266229561 JEWSKHHKZOOMHW-UHFFFAOYSA-N 290.794 3.609 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(COC)on1 266275622 PGDQZTXYXSVGKG-UHFFFAOYSA-N 296.411 3.644 30 20 CHED CC(C)C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CCO1 272035263 SQIOIZDXESFABT-QWHCGFSZSA-N 293.798 3.612 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(N3CCCC3)cc2)C1 278613415 FTLSWVMYBWTMFA-HOCLYGCPSA-N 269.392 3.781 30 20 CHED C=CCSCCNC(=O)c1ccccc1CSCC 279176321 HNKOHVMSOXRXQC-UHFFFAOYSA-N 295.473 3.589 30 20 CHED C=C1CCN(Cc2ncc(C(C)(C)C)s2)CC1 279998337 UVVMHYJHTQZLLE-UHFFFAOYSA-N 250.411 3.593 30 20 CHED C[C@H](NCCCC#N)[C@@H](C)c1ccc(Cl)cc1 280348342 REBVNESPIGSLPZ-NEPJUHHUSA-N 250.773 3.725 30 20 CHED Cc1cccnc1[C@H]1CCC[C@@H](NCCCCC#N)C1 281206860 KPDHVRLHHWXQBI-JKSUJKDBSA-N 271.408 3.700 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1cccc(OC)c1 281516537 WWMHUYYMOXKLEY-UKRRQHHQSA-N 275.392 3.660 30 20 CHED Cc1cnc([C@H](C)CNc2nc(Cl)c(C#N)s2)s1 286995144 UHZRKHPHTMCBFK-ZCFIWIBFSA-N 298.824 3.649 30 20 CHED C=CCCCCCCNC(=O)Cc1nc(CC)cs1 287078848 ODPJCIZRIFSFSE-UHFFFAOYSA-N 280.437 3.501 30 20 CHED C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(C#N)cc1 287143974 ATQUIOAGIRVBBL-RNCFNFMXSA-N 268.282 3.550 30 20 CHED C[C@H](CC#N)NC(=O)C1(Cc2cccs2)CCCCC1 290015123 BWUAFBLYLXQLHV-CYBMUJFWSA-N 290.432 3.659 30 20 CHED CC(C)(C)c1cc(NC(=O)CCCC#N)n(C(C)(C)C)n1 291774589 WEEYUPGFEIJUEL-UHFFFAOYSA-N 290.411 3.568 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)c1 294619433 NMBHZGAKSVZHTE-BEFAXECRSA-N 296.414 3.955 30 20 CHED C#Cc1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1 295904606 CVKJFLDDADUSCA-KRWDZBQOSA-N 299.439 3.579 30 20 CHED C=CCCc1noc([C@@H](C)c2c(F)cccc2F)n1 297401191 SMLKJFSUGFHJCE-VIFPVBQESA-N 264.275 3.618 30 20 CHED C[C@H](C#N)N(C)C(=O)c1c(Cl)cc(Cl)cc1Cl 297983685 WXBRMOSKCVOTRK-ZCFIWIBFSA-N 291.565 3.631 30 20 CHED C[C@@H](CCC#N)N1CCC(=Cc2ccccc2F)CC1 298581334 JRBSYQRFXOPVSU-AWEZNQCLSA-N 272.367 3.997 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 301363905 NEYXPHRKTYVHCH-CMPLNLGQSA-N 298.308 3.581 30 20 CHED CC1(C)[C@H]2CN(c3ccc(C#N)cc3C(F)(F)F)C[C@H]21 301436898 HOGXTVCRGOEXBA-TXEJJXNPSA-N 280.293 3.669 30 20 CHED CCCN(CCc1cccc(F)c1)c1cccc(C#N)n1 301521243 FQAVKGDEYDWKGP-UHFFFAOYSA-N 283.350 3.551 30 20 CHED N#Cc1ccc(NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c(F)c1 301720623 ZXHXYFINCJHYDQ-RKVPGOIHSA-N 278.330 3.695 30 20 CHED Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1cccc(C#N)n1 301865579 VCBPCHYZEIEXGU-UHFFFAOYSA-N 289.678 3.616 30 20 CHED COc1ccccc1[C@H](CC(C)C)Nc1ccc(C#N)nn1 302005009 SFSHPHDNHOLLTI-HNNXBMFYSA-N 296.374 3.556 30 20 CHED Cn1ccc2ccc(Nc3cccc(F)c3C#N)cc21 302697427 WRQCPHSBGCVEEM-UHFFFAOYSA-N 265.291 3.933 30 20 CHED CSC1(CNc2c(Cl)cccc2C#N)CC1 302870158 YBQYYRRKQDXCSZ-UHFFFAOYSA-N 252.770 3.519 30 20 CHED Cc1ccc(N/C(N)=N/CC2(Cc3ccccc3)CC2)cc1 305222897 UPGSZIWVXIQXLV-UHFFFAOYSA-N 293.414 3.745 30 20 CHED C=CCCCCCCNCc1ccc(C(=O)O)c(F)c1 312444530 NLOMQLAIYAPTKZ-UHFFFAOYSA-N 279.355 3.750 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cccc(CC#N)c2)C12CCC2 313437661 NTLJDQZLQKEHNO-HZPDHXFCSA-N 270.376 3.512 30 20 CHED CCc1nc(N=C(O)[C@@H]2CCC(=O)[C@@H](C)C2)sc1C 328875726 FZQPIPFAHQUBEI-WCBMZHEXSA-N 280.393 3.607 30 20 CHED OC(=Nc1nc(C2CCOCC2)cs1)[C@@H]1C[C@@H]1C1CC1 329211295 GYVRJANQOKHVRZ-VXGBXAGGSA-N 292.404 3.671 30 20 CHED C[C@@H]1CCCC[C@H]1/N=C(/O)c1cc2nc[nH]c2cc1F 329323452 RZLNELMLOLNQBJ-BXKDBHETSA-N 275.327 3.585 30 20 CHED O=C1CC[C@H](/C(O)=N/[C@@H]2CCCc3occc32)n2cccc21 329867280 VTNZIKGUEQACHI-TZMCWYRMSA-N 298.342 3.633 30 20 CHED C[C@H](/N=C(/O)c1coc(C2CCCC2)n1)c1cccnc1 329919525 RQHWKYAVEODMBG-NSHDSACASA-N 285.347 3.793 30 20 CHED CCCc1nc(/C(O)=N/CC2(C)CCCC2)co1 330403403 CCSVQAPSHDMFSZ-UHFFFAOYSA-N 250.342 3.512 30 20 CHED Cc1scc(/C(O)=N/[C@](C)(C#N)CC(C)C)c1C 330665958 WUKZDIZPYPVTAO-AWEZNQCLSA-N 264.394 3.998 30 20 CHED COc1ccccc1[C@H](C)/N=C(/O)N[C@H]1CCCC1(C)C 331182074 RTWCQXZORDXORD-WFASDCNBSA-N 290.407 3.839 30 20 CHED CNc1ccc(Cl)c(/C(O)=N/[C@H](C)[C@@H]2CCCOC2)c1 331248283 WUAQEOFHSULTKG-GHMZBOCLSA-N 296.798 3.501 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC2(CCCC2)[C@@H]1C(C)C 335577217 OSVOHYKYNZCVEG-HNNXBMFYSA-N 286.375 3.501 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1nc(C2CC2)cs1 336085547 LTAUFHQOXWIZBT-NSHDSACASA-N 277.393 3.593 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2CC#N)C1 336283145 LPFAQWPCECLRHL-PWSUYJOCSA-N 276.767 3.781 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2sccc2C2CC2)C1 336418239 MFGIUAGRUFJDNA-MEDUHNTESA-N 288.416 3.828 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 337028657 CJKSTPZGKYCMFO-ZWNOBZJWSA-N 298.308 3.617 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCc2sccc2[C@H]1C 337895889 LGQNKRAMAFVBSU-GFCCVEGCSA-N 296.395 3.688 30 20 CHED Cc1cc(CSc2ccncc2C)ccc1C#N 338617478 PDQOGNCWMBIKAM-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CCCN(CCCSCC#N)[C@@H]1C[C@H](OCC)C1(C)C 342145636 KZMXUJKIECZBPQ-CABCVRRESA-N 298.496 3.549 30 20 CHED N#CCc1ccc(CN2CCC[C@H](c3nccs3)C2)cc1 342674470 WHTFBFHQABRAEN-INIZCTEOSA-N 297.427 3.589 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCOc2c(CC)cccc21 343458584 QIYSNMMRABLTQU-KRWDZBQOSA-N 299.414 3.957 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccn(C(C)C)c2C)n1 344641304 TZXNNWGXKXHFMJ-ZDUSSCGKSA-N 287.388 3.632 30 20 CHED CC(C)(NCCCCC#N)c1nc(C(F)(F)F)cs1 348517932 ZNMMVJCAGVWMNS-UHFFFAOYSA-N 291.342 3.680 30 20 CHED CC[C@@H](N[C@H](C)c1ccnc(OC)c1)c1ccc(C#N)cc1 348642781 NQZIYYFWVSCKCY-CXAGYDPISA-N 295.386 3.764 30 20 CHED CSc1ccc(Cl)cc1NC(=O)NCC(C)(C)C#N 348897256 WWCPBGYBYUPRRY-UHFFFAOYSA-N 297.811 3.733 30 20 CHED C=CCOc1cccc(CNc2cccc3nc(O)oc23)c1 352465518 KUNHQHBULQXYTL-UHFFFAOYSA-N 296.326 3.710 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(C(C)C)n1 352477756 ORORVYOPVDGFQA-UHFFFAOYSA-N 260.381 3.537 30 20 CHED C=CCC[C@H](NCc1ccc(OC)c(O)c1)c1ccco1 353505809 WIRYBRUFWGUMPF-AWEZNQCLSA-N 287.359 3.791 30 20 CHED C=CCCOCCCCC(=O)N1CCCC2(CCCC2)C1 354183189 YAIDRKRYVWUTFP-UHFFFAOYSA-N 293.451 3.932 30 20 CHED C=CCCC1(C(=O)NCCCCc2nc(C)cs2)CC1 355540909 HDDVSABRBWGXHU-UHFFFAOYSA-N 292.448 3.637 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 357147964 GHXDLAUQTMOONP-WDEREUQCSA-N 275.314 3.532 30 20 CHED C=CCN(CCCc1ccncc1)Cc1cccs1 360453024 ANFAGPWXWLVCIG-UHFFFAOYSA-N 272.417 3.764 30 20 CHED CCOCCC1(CNc2nc(C)cc(C)c2C#N)CCC1 360887144 VQGDCMGVKDPGGT-UHFFFAOYSA-N 287.407 3.579 30 20 CHED CC#CCCCC(=O)Nc1ccc2nc(C)sc2c1 362242891 PUFDQXDVRMBINC-UHFFFAOYSA-N 272.373 3.737 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCOC3(CCCCC3)C2)C1 365800904 ZMGFIZPZVUHQOJ-OWCLPIDISA-N 276.424 3.540 30 20 CHED Cc1csc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 370394734 MCHRDFCJCXXMCU-CVEARBPZSA-N 297.427 3.723 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccco2)c(-c2cnn(C)c2)c1 375009087 BOVDOFQFYZDSAK-BQYQJAHWSA-N 292.338 3.885 30 20 CHED C[C@@H](NCC1=CCCCC1)c1ccc(OCC#N)cc1 379572136 SICZGBCHTRECKM-CQSZACIVSA-N 270.376 3.740 30 20 CHED C=CCCCCNCc1ccc(OC(F)F)cc1 381139191 CNNFFZXBXVMUNK-UHFFFAOYSA-N 255.308 3.734 30 20 CHED C=CCCCCCCNC(=O)c1ccc(OC)cc1F 383843890 UXFOCUULWNAOPK-UHFFFAOYSA-N 279.355 3.701 30 20 CHED C=CCOCCOc1cc(Br)ccc1Cl 395200038 GTIKHLSYWLMMAR-UHFFFAOYSA-N 291.572 3.684 30 20 CHED N#CCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 397304262 QFKYGSCVJHNVMM-UHFFFAOYSA-N 282.309 3.831 30 20 CHED CCc1ccc(CN2CCC(CCC#N)CC2)cc1 399389747 JRGDODKLZDEJSY-UHFFFAOYSA-N 256.393 3.765 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1c(C)cc(C)cc1C 410121888 BCBHJUUFQLZJMX-OAHLLOKOSA-N 259.393 3.625 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl 410136325 VLPYNZRDKRPVEW-CHWSQXEVSA-N 295.810 3.887 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 410834716 LHNCIAHUPOOKNA-HBNTYKKESA-N 296.823 3.656 30 20 CHED COc1ccc(C[C@@H]2CCCN([C@@H](C)CCC#N)C2)cc1 411305249 DYQQWMIQQFOIRR-RDJZCZTQSA-N 286.419 3.642 30 20 CHED CCc1cccc2c1OCC[C@H]2Nc1ncc(C#N)cc1F 413100489 BYQHGEBCFVUWDZ-OAHLLOKOSA-N 297.333 3.590 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1c1ncc(C#N)cc1F 413316112 KWVBGUXDNKIFFC-MRXNPFEDSA-N 299.324 3.881 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cnn(C(C)C)c1 414543129 ZBSUSGMRLVOWGT-GOSISDBHSA-N 283.419 3.741 30 20 CHED Cc1cc(Cl)cc(C)c1CNCC1(C#N)CCC1 418136648 CVYFIYBLHTYOGQ-UHFFFAOYSA-N 262.784 3.740 30 20 CHED CC(=O)Nc1ccccc1OCCC1(C#N)CCCCC1 418789762 LHFNRIDRRYTYRE-UHFFFAOYSA-N 286.375 3.888 30 20 CHED Cc1ccccc1[C@@H](NC(=O)NCC1(C#N)CCC1)C(C)C 419458952 DTLIHEDFNUAGKY-INIZCTEOSA-N 299.418 3.685 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCC1CC(F)(F)C1 419513676 MPISAFNOPSFLTO-NSHDSACASA-N 291.407 3.578 30 20 CHED CCN(C[C@H](C)C#N)C[C@H](OC(C)C)c1ccccc1 428424821 SRGJMRJOZCYMRX-WBVHZDCISA-N 274.408 3.634 30 20 CHED CCN(C(=O)CC1(C)CC1)c1ccc(C#N)c(Cl)c1 428525698 PCMHWOYPMOXVOA-UHFFFAOYSA-N 276.767 3.755 30 20 CHED C=CCC(C)(C)C(=O)NCCOc1cccc2ccccc12 429903604 QHBMAQWVSMXEJF-UHFFFAOYSA-N 297.398 3.937 30 20 CHED N#Cc1ccc(NC(=O)c2cccc3c2CCC3)c(Cl)c1 430355237 PLEBFECLYKTCKZ-UHFFFAOYSA-N 296.757 3.953 30 20 CHED N#Cc1ccc(/C=C/c2ccc(F)c(C#N)c2Cl)nc1 431581147 XSYSTCFLFJQEKG-GORDUTHDSA-N 283.693 3.788 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(F)ccc1F 432458181 TWPFAPQGPUKXDY-UHFFFAOYSA-N 268.307 3.689 30 20 CHED CC(C)C1CCC(N(C)C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 433417503 LVNBIAMPDZVIAF-KNIAUWFNSA-N 291.439 3.535 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc2ccccc12 436085154 TUDDDRHQSXIQOR-UHFFFAOYSA-N 276.295 3.865 30 20 CHED CC(C)(C#N)CCCCSc1n[nH]c(C(C)(C)C)n1 436204789 BAQAWXAGMIQNRN-UHFFFAOYSA-N 280.441 3.914 30 20 CHED C[C@@H](c1ccco1)N(C)Cc1ccc(C#N)cc1Cl 439431541 NKMQSUOKAYUPHX-NSHDSACASA-N 274.751 3.998 30 20 CHED CC[C@H](F)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 440788339 VPSGOPKMAUUVFO-JYJNAYRXSA-N 260.356 3.506 30 20 CHED N#C[C@H]1CC[C@H](NCCc2cc(Cl)cc(Cl)c2)C1 442768985 PNAOFXCQNVSYRY-FZMZJTMJSA-N 283.202 3.818 30 20 CHED Cc1cc(CN(C)Cc2ccc(C#N)c(F)c2)ccc1F 444731804 HMSWIMKZTGBWSX-UHFFFAOYSA-N 286.325 3.777 30 20 CHED CC[C@H](NCCOc1ccc(C)cc1)c1ccc(C#N)cc1 447509645 GMUXJXPKCOVLAE-IBGZPJMESA-N 294.398 3.986 30 20 CHED C=CCC[C@@H](CO)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 449698396 NILJJKNBFGCROQ-MSOLQXFVSA-N 289.394 3.678 30 20 CHED C=C(CC)CNCc1cn(CCC#N)nc1-c1ccccc1 449733669 PPJJHGLAKFUJJL-UHFFFAOYSA-N 294.402 3.520 30 20 CHED CCN(CCC#N)CCc1c(Cl)cccc1Cl 450462541 HFVLXVFZDLAIAP-UHFFFAOYSA-N 271.191 3.771 30 20 CHED C=CC(C)(C)CNC(=O)COc1cccc2ccccc12 452779416 SPRKQRRXIYVZGP-UHFFFAOYSA-N 283.371 3.547 30 20 CHED C=CCC1(NC(=O)Nc2cnn(C(F)F)c2)CCCCC1 455078369 KWRSFNKCJLMMKM-UHFFFAOYSA-N 298.337 3.679 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1CCC(C)C 455329436 STPYLGQNLGEUPZ-CQSZACIVSA-N 252.402 3.563 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)Nc1cccc(CC#N)c1 455913274 YWGXPKSKWKHQNQ-UHFFFAOYSA-N 287.407 3.946 30 20 CHED CCSCc1ccc(NC(=O)c2cc(C#N)[nH]c2C)cc1 456476536 CIIRWYYYXLZBQD-UHFFFAOYSA-N 299.399 3.700 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccn(C)c2C2CCC2)c1 456970990 SEXVAAYGJXMRAM-UHFFFAOYSA-N 293.370 3.725 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 457001461 ACMRXFHGFCZZHI-GFCCVEGCSA-N 288.366 3.596 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCC1 457443248 UECZSDZZICNWHO-SECBINFHSA-N 262.740 3.586 30 20 CHED CC(C)(CC#N)CN[C@H]1CCC[C@@H]1c1ccc(F)cc1 459660033 AQDVAQHUOFHUSZ-CVEARBPZSA-N 274.383 3.991 30 20 CHED CCCC[C@@H](CC)C(=O)N1CCCC(C)(C)[C@H]1C#N 464476857 YEVAIWHJFVPYCZ-ZIAGYGMSSA-N 264.413 3.744 30 20 CHED C=C[C@H](C)NC(=O)N1CCC(=Cc2cccc(F)c2)CC1 464758285 YFSCXLBWNXPIJG-ZDUSSCGKSA-N 288.366 3.589 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CCC)Cc1ccccc1 466365899 BBRWASBDIGEJHR-MRXNPFEDSA-N 274.408 3.963 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nnc(CCCCC)s1 467850168 JBCCAWFWPBZNJW-AWEZNQCLSA-N 281.425 3.812 30 20 CHED C=C(C)COCCNC[C@@H](C)c1cccc(Cl)c1 470355791 FCWOCCVZMJXBSN-CYBMUJFWSA-N 267.800 3.626 30 20 CHED C=CCOCCCN1CCCC[C@H]1c1ccccc1 470780300 RIMULMLARIWTIZ-KRWDZBQOSA-N 259.393 3.806 30 20 CHED C=C(C)CN(CCc1c(C)noc1C)Cc1ccccc1 470919478 QFUXJRKVLIYLPF-UHFFFAOYSA-N 284.403 3.912 30 20 CHED C=CCCCCN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 471583377 YWFROPXJWDJYSJ-CYBMUJFWSA-N 286.419 3.923 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1cccc(C#N)c1)C(C)C 482994460 WUILOSDGOOOBMW-SFHVURJKSA-N 292.382 3.994 30 20 CHED Cc1nc(N(C)[C@@H](C)c2ccc(F)c(F)c2)ccc1C#N 487927192 SDFAFXFFVJSYBR-NSHDSACASA-N 287.313 3.737 30 20 CHED Cc1[nH]c(=NCc2ccc(-c3ccccc3)o2)ccc1C#N 488060013 VIUVUZMFXWMSPY-UHFFFAOYSA-N 289.338 3.556 30 20 CHED N#Cc1c(F)cccc1CSc1cccc([N+](=O)[O-])c1 488255599 OYFFFYPJAXOGKS-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(-c2nc(C)co2)c1 491219682 GRSIFLQFHHRYFS-AWEZNQCLSA-N 297.358 3.573 30 20 CHED C#CCN(C(=O)N[C@@H](C)c1oc2ccccc2c1C)C1CC1 491765446 DFGUXZJWJIAPDZ-ZDUSSCGKSA-N 296.370 3.609 30 20 CHED C=CC[C@H](C)N[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 495038615 AUPAPHUUIBREQO-JJRVBVJISA-N 277.383 3.848 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)cc(OC)c1 497939710 VHIZDMVAEDWCKB-LLVKDONJSA-N 281.783 3.823 30 20 CHED CC#CCCNCc1cccc(OC2CCCC2)c1 499208969 DASJETHKYOFLGG-UHFFFAOYSA-N 257.377 3.511 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc[nH]c1C(C)C 505272975 MZCKIYFXZGXVOT-UHFFFAOYSA-N 282.387 3.967 30 20 CHED CCOC1CC(CSCc2ccc(C#N)c(C)c2)C1 507119950 IMPHIOOYFSDCJZ-UHFFFAOYSA-N 275.417 3.915 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2cccc(C#N)c2)C1 507182111 LZJSWCKKXBPRNX-GOSISDBHSA-N 276.383 3.856 30 20 CHED CC(C)(O)CCSCC#Cc1ccc(Cl)cc1 515073448 RHSSNSLIVJJEOH-UHFFFAOYSA-N 268.809 3.586 30 20 CHED N#CCC1CCN(CCCc2ccc(Cl)cc2)CC1 519213527 JYHUKZNNBMGDON-UHFFFAOYSA-N 276.811 3.898 30 20 CHED N#Cc1[nH]c(=NC[C@H]2CCCc3ccccc32)ccc1Cl 520243552 SAOPZGDDVBETNB-CYBMUJFWSA-N 297.789 3.561 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](CC)CCC)c1 521072288 VHQNOFOTPMMMEV-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED C=CCCC(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 523272328 OSBQVRPSWASOSA-INIZCTEOSA-N 297.402 3.593 30 20 CHED CCC(=O)Nc1cccc(CNc2ccc(C#N)cc2F)c1 523746212 MZWYCZBVHPHXLM-UHFFFAOYSA-N 297.333 3.658 30 20 CHED CCC(C#N)(CC)c1nc(C2CCC(C)CC2)no1 528113895 JVSHXIWQNZCSGF-UHFFFAOYSA-N 261.369 3.945 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1CCC)OCC 535137987 OQUOTCRONUDIIQ-MRXNPFEDSA-N 275.392 3.949 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2c(Cl)cccc2C#N)CCO1 536660945 RCTTXZYBPBIKDX-JSGCOSHPSA-N 278.783 3.827 30 20 CHED C[C@]1(CCc2ccccc2)CCN(c2cnccc2C#N)C1 538742697 LWUFNOCQQQACAT-IBGZPJMESA-N 291.398 3.802 30 20 CHED Cc1ccsc1CCNC(=O)Nc1cccc(C#N)c1C 539151965 IKSPCJZDLDZTIP-UHFFFAOYSA-N 299.399 3.601 30 20 CHED CC(C)Oc1ccccc1[C@H](C)NC[C@H](C#N)CCC#N 539227130 YVUNZAMVJMNZPV-GJZGRUSLSA-N 285.391 3.568 30 20 CHED C[C@H](NC[C@@H](C1CCCCC1)N(C)C)c1cccc(C#N)c1 539498402 OGTFGVSYKDUROY-KXBFYZLASA-N 299.462 3.719 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)C1CC1 540127574 NICQSDAWOMGZGW-TZMCWYRMSA-N 264.413 3.561 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@](C)(CC)C1 540488664 XBQZFCSOWNEHDQ-UKRRQHHQSA-N 252.402 3.563 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC(F)(F)C2)c1 540635316 DWIXHCIAKWTENV-UHFFFAOYSA-N 296.317 3.514 30 20 CHED Cc1cccc(CCCN2CCC(CC#N)CC2)c1 541948498 JTNHPPUWFRVFJE-UHFFFAOYSA-N 256.393 3.553 30 20 CHED C=CCN(C(=O)c1ccccc1C(C)(C)C)C1CC1 542522357 HULDVRDRZHYUAT-UHFFFAOYSA-N 257.377 3.775 30 20 CHED C[C@@H](N(C)C(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)C 544435550 JQCQIVXQMRFFOR-SNVBAGLBSA-N 278.783 3.718 30 20 CHED C=CCN(CC=C)C(=O)CSCc1ccc(F)cc1C 547814427 HIFXXWBLFXUEFT-UHFFFAOYSA-N 293.407 3.568 30 20 CHED C=CCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1C 549345759 RPTUAIHETVLKAA-HNNXBMFYSA-N 274.408 3.610 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)[C@@H]2CCC[C@H]21 552139689 RVXHQUJQCCDFNG-ZIAGYGMSSA-N 260.406 3.630 30 20 CHED CC(C)CCSCC(=O)N[C@@](C)(C#N)C1CCCCC1 555905235 YAOMHBIXQSANPN-INIZCTEOSA-N 296.480 3.744 30 20 CHED C=C(C)CCN(C)Cc1ccc(OC(F)F)c(OC)c1 556813538 WNQWLBCCTAJWIT-UHFFFAOYSA-N 285.334 3.695 30 20 CHED COc1ccc(CC[C@H](C)NCC(C)(C)CCC#N)cc1 558245233 GTUZKQGOTIWUDQ-HNNXBMFYSA-N 288.435 3.936 30 20 CHED CSc1ccc(CNCC2CCC(C#N)CC2)s1 558492040 NHZMUDASDGJVIG-UHFFFAOYSA-N 280.462 3.890 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(CC(C)(C)C#N)n1 560049761 ZMBJLYLQUAFJMD-NWDGAFQWSA-N 261.369 3.846 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(CC(C)(C)C#N)n1 560049762 ZMBJLYLQUAFJMD-RYUDHWBXSA-N 261.369 3.846 30 20 CHED C=CCCCCSCc1csc(COC)n1 564643390 HJLCIIUBWILNBD-UHFFFAOYSA-N 257.424 3.879 30 20 CHED Cc1csc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)c1C#N 565165156 WRLJPCXRVOVEBA-KOLCDFICSA-N 277.393 3.581 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(C)cc2)CC1 567926853 QODLGKQAMUDXAO-JKSUJKDBSA-N 269.388 3.714 30 20 CHED C[C@H]1CC[C@H](C(=O)N[C@H](CCC#N)c2ccccc2)CC1 567991091 IUHBVQRQPNYZCT-DJIMGWMZSA-N 284.403 3.974 30 20 CHED C=CCC[C@@H](CCC)NCc1cccc(C(=O)OC)c1 569171264 BRDWABDISULJOF-MRXNPFEDSA-N 275.392 3.698 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@@H](C)CC[C@@H]1C 569857672 JWXYSYVWUSLRKC-KBPBESRZSA-N 288.439 3.747 30 20 CHED CCCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 569972187 AALZCJVQIAHFOK-KBPBESRZSA-N 287.407 3.839 30 20 CHED Cc1cc(S[C@H]2CCC(C)(C)C2=O)ccc1C#N 571403051 TYAQBURUGFGYAV-ZDUSSCGKSA-N 259.374 3.717 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)[C@@]1(C#N)CC12CCCC2 574267800 XWNOVZNAVNNBSE-IBGZPJMESA-N 296.414 3.818 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1C 577784485 RBMWRVBQYBLVAU-HNNXBMFYSA-N 298.434 3.911 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 578052611 UOMIWSYLRAXSHU-CQSZACIVSA-N 290.455 3.679 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C3CC3)nc2C)c1 579321786 LVBJJWBRFFWAOQ-UHFFFAOYSA-N 291.354 3.700 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCSc1ccccc1)CC2 582695563 WGJMYFIGXXOQGE-SFHVURJKSA-N 294.423 3.927 30 20 CHED C[C@]1(C(=O)NCC2CCC(C#N)CC2)C[C@@H]1c1ccccc1 583308713 DMKLGEGEIZVUGJ-XVDPQKCLSA-N 296.414 3.626 30 20 CHED C=CCn1cccc1-c1nc(CC2=CCCCC2)no1 583622555 NVOBUFNNLYAPEG-UHFFFAOYSA-N 269.348 3.767 30 20 CHED Cc1cc(Oc2ncc([N+](=O)[O-])s2)c(C)c(C)c1C#N 584672473 VUVKSZAUEBSTSW-UHFFFAOYSA-N 289.316 3.641 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC2(CCC2)CC1 586783242 MOWJOJZASFRIPT-AWEZNQCLSA-N 254.377 3.885 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1c(C)oc(C)c1C 586796939 DJXDDUMMKTYAAZ-UHFFFAOYSA-N 297.358 3.761 30 20 CHED CCC(CC)[C@H]1C[C@H](Nc2cc(C#N)cc(C)n2)CCO1 588013217 BSKUXMQYZFDNMN-HZPDHXFCSA-N 287.407 3.657 30 20 CHED CC1(CNC(=O)CCCCCC#N)CCCCCC1 588163200 CSFFXARSZKTHOB-UHFFFAOYSA-N 264.413 3.937 30 20 CHED C[C@@H](N=c1[nH]c(C#N)c(Cl)s1)c1ccccc1Cl 590569256 MWFCDFUYSJAQFY-SSDOTTSWSA-N 298.198 3.917 30 20 CHED N#CC1(CSc2ccc(-c3ccco3)nn2)CCC1 593440760 CNFPDOCDHNQTGW-UHFFFAOYSA-N 271.345 3.523 30 20 CHED N#CCC[C@@H](C#N)CNCc1ccc(Cl)c(Cl)c1 594733135 YKLIGIYWGIAOFV-NSHDSACASA-N 282.174 3.527 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 595057306 CEIYAPKOJRVDCS-ZDUSSCGKSA-N 294.420 3.863 30 20 CHED C=CCCSCCN[C@H](C)c1cnn(C(C)C)c1C 595057309 CFBQLYJFFHBJOH-CYBMUJFWSA-N 281.469 3.732 30 20 CHED C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCCCC#N 595519202 VRAVLYZHAWHZNY-NSHDSACASA-N 290.798 3.903 30 20 CHED C=CCCSCCNC(=O)Nc1cc(F)ccc1C 596630794 MHOXPRMKIUQFSB-UHFFFAOYSA-N 282.384 3.565 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 599527879 WHKHDUJJWIWOGC-SIXWZSSISA-N 298.430 3.762 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 599825166 DLCDWMZXWBJKQM-GVDBMIGSSA-N 296.414 3.639 30 20 CHED CCCOCCOc1cccc(-c2ccc(C#N)cc2O)c1 600779781 ZTTWSBRMBYITSY-UHFFFAOYSA-N 297.354 3.736 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1ccccc1CC#N 601538467 KHJVTOFIORJORE-CQSZACIVSA-N 284.403 3.841 30 20 CHED C[C@@H](CCC#N)CNCC(C)(C)N[C@H](C)c1ccccc1 602545394 NMEWPRPGTMQUGM-JKSUJKDBSA-N 287.451 3.645 30 20 CHED CCC(CC)Cn1cc(CC2(C#N)CCCCC2)nn1 603195969 CYLAVWKAOSOQRL-UHFFFAOYSA-N 274.412 3.731 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H]2CCCC[C@H]21 603847450 WBYCAHAVIGDZKH-JLSDUUJJSA-N 268.404 3.959 30 20 CHED C[C@H](NC(=O)N(C)[C@H](C)c1ccco1)c1cccc(C#N)c1 610356439 SAVBGQMRGHMHCG-QWHCGFSZSA-N 297.358 3.615 30 20 CHED CC(C)(C#N)CCCOc1ccc2c(c1)OCCCO2 610915225 TXUVPVWYJMEHGZ-UHFFFAOYSA-N 275.348 3.557 30 20 CHED CC(C)(C#N)CNC(=O)c1cc2c(ccc3ccccc32)[nH]1 611694595 VYLSYABRVDZHFB-UHFFFAOYSA-N 291.354 3.601 30 20 CHED Cc1ccnc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c1C#N 612080636 YWXMNCRSIGOGFY-ZFWWWQNUSA-N 287.407 3.515 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2cc3ccccc3s2)C1 612233264 OAWQFIDFKJIGJA-INIZCTEOSA-N 284.384 3.667 30 20 CHED CC(C)c1cccc(NC(=O)N2CCC[C@](C)(C#N)C2)c1 612294303 FDHAKCNUGYGQSL-QGZVFWFLSA-N 285.391 3.968 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 613372781 WUXWTVVHKREJNN-CZUORRHYSA-N 298.386 3.744 30 20 CHED Cc1cc2occ(C(=O)N3CCC[C@@](C)(C#N)C3)c2cc1C 613811521 ACQVQLYFZQHASU-SFHVURJKSA-N 296.370 3.816 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@@H](c2ccco2)C1 614167011 ZBZNCJUUZMDGHP-CYBMUJFWSA-N 286.762 3.794 30 20 CHED Cc1cc([C@@H]2CCCN2Cc2ccc(C#N)cc2C)on1 614397669 NERPPROSVZJMSM-INIZCTEOSA-N 281.359 3.500 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 617789323 FSNJVEOBLYNHFF-GFCCVEGCSA-N 263.768 3.768 30 20 CHED C=C[C@H](CC(=O)N[C@]1(C)CC1(C)C)c1ccccc1 620077060 BXJXYJBETUHEMX-CXAGYDPISA-N 257.377 3.651 30 20 CHED C=C(CNCc1ccccc1OCC)c1ccccc1 620756471 BYTMYTRYRFSPFN-UHFFFAOYSA-N 267.372 3.888 30 20 CHED C=CC[C@H](C(=O)NC[C@H](CCC)OCC)c1ccccc1 628343754 NGHCSKPJXWKDOO-IRXDYDNUSA-N 289.419 3.668 30 20 CHED C=CCN(CC=C)C(=O)NC[C@H](CC)CCCC 643210001 KRRGTKPUPOQXCY-CQSZACIVSA-N 252.402 3.586 30 20 CHED C=CC1CCN(C(=O)[C@H]2CCCc3ccc(OC)cc32)CC1 653634452 YHWFASDQCGZQFF-KRWDZBQOSA-N 299.414 3.540 30 20 CHED C=CCC1(CNC(=O)N(C)CCOC(C)(C)C)CCCC1 656210401 YMUURMSVEBAEMO-UHFFFAOYSA-N 296.455 3.579 30 20 CHED C=CCN(CC(=O)Nc1ccc(C)cc1Cl)C(C)(C)C 661756203 FIQPVHNORJCRAD-UHFFFAOYSA-N 294.826 3.873 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(OC)cc2)C1 664333007 IQLNQGKFBNGSPK-ZDUSSCGKSA-N 274.364 3.515 30 20 CHED C=C(C)CN(CC)Cc1ccc(C)cc1-c1ccnn1C 670261553 XMZUCHIAFIJLIF-UHFFFAOYSA-N 283.419 3.794 30 20 CHED C=C(CNC(=O)CSc1ccc(C)cc1)c1ccccc1 672481095 LEIGRSGKRMFVGW-UHFFFAOYSA-N 297.423 3.917 30 20 CHED C=C(C)CS(=O)(=O)N1Cc2ccccc2-c2ccccc21 684761053 GRAMJHROJWOZOX-UHFFFAOYSA-N 299.395 3.580 30 20 CHED C#C[C@@H](NC(=O)c1cc(Cl)sc1Cl)C(C)(C)C 702250973 QEJVYKOWELHILU-MRVPVSSYSA-N 290.215 3.833 30 20 CHED Cc1[nH]c2ccccc2c1CC/N=C\c1ccccc1O 726890886 MFDVQDXTIXFDFR-UNOMPAQXSA-N 278.355 3.844 30 20 CHED C#Cc1cccc(NC(=S)NN=C2CCC(C)CC2)c1 727259780 MOGDUIVUIIATSF-UHFFFAOYSA-N 285.416 3.520 30 20 CHED O=[N+]([O-])c1cccc(C=NNc2cccc3cnccc23)c1 728432391 SGLHGIDHTJIVON-UHFFFAOYSA-N 292.298 3.589 30 20 CHED C=CCN(C(=O)Nc1ccc(F)c(C)c1)C(C)C 728691848 HYWYNXXFNGYDEL-UHFFFAOYSA-N 250.317 3.562 30 20 CHED C=CCCOC(=O)Cc1ccc(Cl)c(Cl)c1 729072409 LKZRZODVAHXCDO-UHFFFAOYSA-N 259.132 3.655 30 20 CHED C=CCCC(CC)=NNCCCOc1ccccc1 729150502 ZFZOBYJGMBSWQT-UHFFFAOYSA-N 260.381 3.777 30 20 CHED CCc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)s1 731153525 QGKNZQNCIGSMKK-UHFFFAOYSA-N 289.360 3.973 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)cn1 734399236 HYNBEIOJVRZKNV-INIZCTEOSA-N 286.419 3.644 30 20 CHED C=CCCCOC(=O)c1cc(F)c(Cl)nc1Cl 735534086 GKCLZSDZLWNFNA-UHFFFAOYSA-N 278.110 3.651 30 20 CHED CC[C@H](Nc1cccc(C#N)n1)c1ccccc1OC 736287302 ZVGOKYNERTVHLP-AWEZNQCLSA-N 267.332 3.525 30 20 CHED C[C@H](C(=O)OCc1ccc(C#N)cc1F)c1cccs1 738793802 WPQKQQZXGDJJNG-JTQLQIEISA-N 289.331 3.606 30 20 CHED CC[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 740763281 FGKDOUKMUXFLBT-HJCXSIFHSA-N 276.336 3.688 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1ccc(O)c(F)c1 740765705 OCJSKQSJZFUGFM-SOFGYWHQSA-N 293.297 3.976 30 20 CHED C/C(C=NNc1cc(Cl)nc(C)n1)=C\c1ccccc1 741765986 HFXQGKGESJVXHP-ZGWWEQGESA-N 286.766 3.940 30 20 CHED CCCCCCCCC(=O)NCCC(F)(F)F 742926212 PDVMKMNDGHFYFR-UHFFFAOYSA-N 253.308 3.806 30 20 CHED C#CCN(C(=S)N[C@@H]1CCCC[C@H]1C)C1CCCCC1 743584676 CBUXFBYIFKWCBQ-GDBMZVCRSA-N 292.492 3.708 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(OCC#N)cc2)C1 743860716 RTMOLGNRPWKXCA-KRWDZBQOSA-N 272.392 3.601 30 20 CHED C#CCN(Cc1ccccc1)[C@@H](C)c1cccs1 746156499 LFIBRFVBSMZQTI-AWEZNQCLSA-N 255.386 3.945 30 20 CHED Cc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)s1 747061138 BRFLNEKKSCXUKN-UHFFFAOYSA-N 275.333 3.719 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@H]2C(C)C)n1 747764202 NOIZYTVSSXHQAH-JTQLQIEISA-N 266.776 3.662 30 20 CHED CCC(=NOCCOC)c1ccc2cc(OC)ccc2c1 748788609 IAUCRJHMMJEUIQ-UHFFFAOYSA-N 287.359 3.626 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCC[C@@H](N(C)C)C1 749456380 YRBYEXXEDQCSOP-JKSUJKDBSA-N 282.472 3.726 30 20 CHED C=C(Cl)COC(=O)CC[C@@H](C)c1ccccc1 750094293 BVJPKZVGLRLCJR-LLVKDONJSA-N 252.741 3.866 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](OC(=O)c2ccc(C#N)s2)C1 750722248 RGBSDBADMNXHNL-URLYPYJESA-N 263.362 3.601 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(Cl)c(F)c1 751528370 BNUNXEHPKHAOMH-JTQLQIEISA-N 270.735 3.694 30 20 CHED CCc1ccc(-c2ccc(C(=O)O[C@H](C#N)CC)o2)cc1 753413253 DHDHVHPZVIQWFY-AWEZNQCLSA-N 283.327 3.968 30 20 CHED CCCCCCCC(=O)NCC(C)(C)[C@@H](O)C(C)C 754152072 WHONHJJKOQPNRQ-HNNXBMFYSA-N 271.445 3.506 30 20 CHED C#C[C@@H](CC)NC(=O)C(C)(C)CCCc1ccccc1 754679805 DZCRJTWJWIBOPN-INIZCTEOSA-N 271.404 3.564 30 20 CHED CC(=NNc1ccc(C(F)(F)F)nn1)C1CCCCC1 754710392 XZIGIHIHYCDHKC-UHFFFAOYSA-N 286.301 3.864 30 20 CHED CCCCCCCCNC(=O)N(C)C[C@@H]1CCCCO1 754862882 PDVQWXVFCQCGCM-HNNXBMFYSA-N 284.444 3.557 30 20 CHED O=[N+]([O-])c1cccc(NN=C[C@@H]2CCc3ccccc32)c1 755482548 VPZGSAJUXCZYBW-ZDUSSCGKSA-N 281.315 3.723 30 20 CHED CCCCNN=Cc1nc(-c2ccccc2)cs1 755650265 TYNLPNDQTVGRAF-UHFFFAOYSA-N 259.378 3.534 30 20 CHED Cc1cccc(C)c1C=NNc1cnc2ccccc2n1 755683762 UETFTICORUZDPB-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C=C(CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 756483740 PGFMIZIEJCEOIF-ZDUSSCGKSA-N 298.342 3.664 30 20 CHED Fc1ccc(NN=C/C=C/c2ccc(F)cc2F)nc1 758112834 VZKLGPQDPBTSES-NJTQYUCVSA-N 277.249 3.610 30 20 CHED CC1CC(C#N)(C(=O)N2CCc3cc(C(C)(C)C)ccc32)C1 758205726 BEMIQQQOJJAVGT-UHFFFAOYSA-N 296.414 3.813 30 20 CHED CC(C)c1ncc(C=NNc2ccc([N+](=O)[O-])cc2)s1 758354190 BNTHRANGIUCKPW-UHFFFAOYSA-N 290.348 3.621 30 20 CHED C#CCCCC(=O)N1c2ccccc2CC[C@H]1CCC 758671514 AXDLLNINGUZITC-MRXNPFEDSA-N 269.388 3.938 30 20 CHED CC(Cc1cccc(F)c1)=NNc1ccc(C#N)cc1 759201756 LAPZVSBNFYRDKG-UHFFFAOYSA-N 267.307 3.728 30 20 CHED Cc1ncccc1/C=C1/Cc2ccc(Cl)cc2C1=O 762446657 KOBRGMOAMFDNPW-QPEQYQDCSA-N 269.731 3.866 30 20 CHED C#CCN(C(=O)/C=C/c1ccccc1O[C@@H](C)CC)C1CC1 763794981 IUCLEBHCFLZBHK-VOMSXAGXSA-N 297.398 3.501 30 20 CHED COc1ccc([C@@H](C)C(C)=NOCC(F)(F)F)cc1 764835694 NNBVFSSBNWBUOC-VIFPVBQESA-N 275.270 3.754 30 20 CHED Cc1cccc(O[C@H](C)C(=O)Oc2ccc(C#N)c(C)c2)c1 765113510 OQGSHGWOHLRBHV-CQSZACIVSA-N 295.338 3.548 30 20 CHED CCCCCCCCC(=O)N1CCOC2(CCCC2)C1 766080213 BNXJENXHMCBKAB-UHFFFAOYSA-N 281.440 3.909 30 20 CHED C=CCC[C@@H](CCC)NC[C@@](C)(O)c1cc(C)oc1C 766153627 XDLVJCCIOJHFLY-NVXWUHKLSA-N 279.424 3.828 30 20 CHED C#CCCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 766896331 RCVSTGAZHIFPCV-HNNXBMFYSA-N 298.213 3.780 30 20 CHED CC#CCCCC(=O)N1CCC(C2CCCCC2)CC1 767053464 KSNMYHCHVVSREO-UHFFFAOYSA-N 275.436 3.999 30 20 CHED C#C[C@H](C)N(C)C(=O)CCCSc1ccc(Cl)cc1 767237431 ONBANIFLXZWNPC-LBPRGKRZSA-N 295.835 3.692 30 20 CHED COc1ccc(CCNN=C2CC[C@@H](C)[C@H](C)C2)cc1 767377992 CXCGOBIYRFIKDJ-ZIAGYGMSSA-N 274.408 3.639 30 20 CHED C=CCN(C(=O)NCCC1=CCCCCC1)C(C)C 768453215 AGXZJNFLRXAGQD-UHFFFAOYSA-N 264.413 3.873 30 20 CHED C=C[C@](C)(CC)C(=O)OCCCCC(C)(C)C#N 768879247 PKRFANLVSPNNDN-OAHLLOKOSA-N 251.370 3.852 30 20 CHED C=CCCCCNC(=S)Nc1cc(C)ccc1C 769760242 JOIPQRVMKNTBNR-UHFFFAOYSA-N 262.422 3.946 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1C 769829548 SGIHYBGANGYYAB-NXEZZACHSA-N 279.315 3.958 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cn1)c1cnccc1C 771555333 JAHMLEFORYKZNU-UHFFFAOYSA-N 294.280 3.640 30 20 CHED CCCCCCCC(=O)Nc1cc(CCC)nn1C 772549088 GPFAHXUEAJXLGL-UHFFFAOYSA-N 265.401 3.672 30 20 CHED C#CCN(Cc1cccc(O)c1)[C@@H]1CCc2ccccc21 772598387 LDYDPROZJKRIIS-LJQANCHMSA-N 277.367 3.515 30 20 CHED C=CCNC(=S)N1CCC(c2ccc(Cl)cc2)CC1 774257796 KVLFZRIICKESRO-UHFFFAOYSA-N 294.851 3.580 30 20 CHED COc1cc(Cl)ccc1N[C@@H]1CCC[C@H](C#N)C1 774354467 AVPZGWIDCNBITD-CMPLNLGQSA-N 264.756 3.843 30 20 CHED CCc1ccc(-c2ccc(C(=O)OCC3(C#N)CC3)o2)cc1 775861704 SLLPUVYANKLBPR-UHFFFAOYSA-N 295.338 3.970 30 20 CHED C[C@@H](NCc1nccc2ccccc12)c1cccc(C#N)c1 776157433 BOTZPSOXWDJQFA-CQSZACIVSA-N 287.366 3.957 30 20 CHED CC(=NNc1ncccc1Cl)c1cccc(F)c1F 776259170 DWBRQELVAZGSAW-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C[C@H](CC(=O)O[C@H](C#N)C1CCCCC1)c1ccncc1 776395187 IQILFYJZVDRGDW-CZUORRHYSA-N 286.375 3.591 30 20 CHED C=CCNC(=O)c1ccccc1NCc1ccc(CF)cc1 777539014 IMBSTVNARAGHAQ-UHFFFAOYSA-N 298.361 3.684 30 20 CHED CCCCCCCCCCN1C(=O)[C@@H]2CCCN2C1=O 777568770 CANKQUNEWLDGCU-AWEZNQCLSA-N 280.412 3.554 30 20 CHED CCCC(=NN=c1cc[nH]cc1)c1ccc(Cl)cc1 779809140 UGANRCWUTJABHE-UHFFFAOYSA-N 273.767 3.773 30 20 CHED CCc1c(C(C)=NN=c2cc[nH]cc2)oc2ccccc12 779812019 WGYOHNYUVBNLBB-UHFFFAOYSA-N 279.343 3.648 30 20 CHED Cc1ccc(F)cc1/C=C1/Cc2cc(O)ccc2C1=O 780187520 FSXRCOXSHWCQGA-MLPAPPSSSA-N 268.287 3.662 30 20 CHED C[C@]1(c2ccccc2)CCC(=NOCC(F)F)C1 780241731 URGUGOSYBYGBMB-AWEZNQCLSA-N 253.292 3.766 30 20 CHED CC(C)(C#N)CNC(=O)Nc1ccc(SC(F)F)cc1 781801494 XHTOUEFMNYGVNP-UHFFFAOYSA-N 299.346 3.673 30 20 CHED CCCCCCCCNC(=O)N1CCc2ncsc2C1 782599436 LWFBBGRFYXAQPL-UHFFFAOYSA-N 295.452 3.571 30 20 CHED C#CCN(CC)C(=O)Nc1ncc(C2CCCCC2)s1 782638201 QCLFRVPMICXALN-UHFFFAOYSA-N 291.420 3.678 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C(=O)CC)cc1F 786637923 OSXDWSLGOYGHMF-INIZCTEOSA-N 278.323 3.926 30 20 CHED CC(/C=C/C(=O)c1ccncc1)=C\c1cccc([N+](=O)[O-])c1 787168917 ZRFVEHDGKCSZEL-UPDNQQOMSA-N 294.310 3.832 30 20 CHED C[C@H](CCC#N)CNc1cccc(-c2cnco2)c1 787770422 QEBBFPCPPDUABK-GFCCVEGCSA-N 255.321 3.693 30 20 CHED CSCCON=C1C[C@H](Oc2ccccc2)C1(C)C 789054893 QOHPXRZMVRZVRF-AWEZNQCLSA-N 279.405 3.600 30 20 CHED C=CCC(=NNc1ncccc1C)c1ccc(F)cc1 790194322 YOTLEMLEXLPTNS-UHFFFAOYSA-N 269.323 3.921 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1ccccc1 791569231 STBZQXIVIVJZBM-LJQANCHMSA-N 281.399 3.798 30 20 CHED CC1(CNN=C[C@H]2CCOc3ccccc32)CCCC1 793084470 OVVPBEBGYPIYNZ-CQSZACIVSA-N 272.392 3.708 30 20 CHED CCc1cccc2c1OC/C(=C/c1ccsc1)C2=O 794726404 CELFCYYBRYHRNF-JYRVWZFOSA-N 270.353 3.969 30 20 CHED CCc1cccc2c1OC/C(=C/c1ccc(Cl)nc1)C2=O 794728002 LSORGANHWPSELB-JYRVWZFOSA-N 299.757 3.956 30 20 CHED N#CCCCC[S@](=O)[C@H]1CCc2cc(Cl)ccc21 794786909 GWOCMHLPOJZJDA-KSSFIOAISA-N 281.808 3.770 30 20 CHED C#CCN(Cc1ccccc1)C(=O)NCCC1=CCCCC1 794798295 BQYGOCBGHZZXMS-UHFFFAOYSA-N 296.414 3.722 30 20 CHED Fc1cccc(NN=C2CCC(C(F)(F)F)CC2)n1 795009006 WKBRKINCPQFOEN-UHFFFAOYSA-N 275.249 3.741 30 20 CHED N#CCOC(=O)c1csc(-c2ccc(Cl)cc2)c1 795869839 JYJWKJYCKLFBRH-UHFFFAOYSA-N 277.732 3.749 30 20 CHED C=CCCCCCOC(=O)c1oc(CCC)nc1C 796552914 JLVBRZQAMZYHCV-UHFFFAOYSA-N 265.353 3.839 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nc(C)cs1 796620057 SRNCFWMACNKNRP-AGIUHOORSA-N 276.405 3.844 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 797026355 SXNGDONZROQMKR-QLFBSQMISA-N 263.381 3.830 30 20 CHED CC(F)(F)c1ccc(C(=O)OCC2(C#N)CCC2)cc1 797090551 ILUWKVCYWXBLNM-UHFFFAOYSA-N 279.286 3.649 30 20 CHED C#CCCCCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567259 FHWDGSZMBHYXCV-LBPRGKRZSA-N 288.416 3.810 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1cccc(Cl)c1 798375692 LKFUTQBGCVVVJW-LLVKDONJSA-N 268.813 3.981 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C(\C)c1ccccc1OC 798554349 OPVCHMUXFUSOSM-FNDVETGQSA-N 273.376 3.569 30 20 CHED C#CCN(CC#N)C(=O)C1(C2CCCCC2)CCCCC1 798804790 NAOZLNDNYXIEKU-UHFFFAOYSA-N 286.419 3.503 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1C#N 799299366 FYBPJSBISLGHTC-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED CSC1(C=NNc2cc(C)ccc2F)CCC1 800814663 ZUVXVVHMILDKHZ-UHFFFAOYSA-N 252.358 3.818 30 20 CHED Cc1cccc(N(CCO[C@@H](C)C#N)Cc2ccccc2)c1 801911714 AFHFUULAILVAQN-KRWDZBQOSA-N 294.398 3.930 30 20 CHED CCc1cc(NC(=O)c2ccc(C)c(C#N)c2)ccc1F 803445363 KCGKXCIAHXNKIM-UHFFFAOYSA-N 282.318 3.821 30 20 CHED C=CCCCCCCNC(=O)c1cnc(O)c2ccccc12 805219934 BNSHAIHRJHKMDZ-UHFFFAOYSA-N 298.386 3.807 30 20 CHED N#CCCCCCC(=O)OCc1ccc(Cl)c(F)c1 805697477 XBLNEJLEABYPAT-UHFFFAOYSA-N 283.730 3.996 30 20 CHED C=CCCCCCCNC(=O)N1CCS[C@@H](C)[C@H]1C 806005262 GFLOEIPZSYSEGC-KGLIPLIRSA-N 284.469 3.658 30 20 CHED C#Cc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1 809567110 TWPAFUNGAUCUSY-FQEVSTJZSA-N 291.394 3.632 30 20 CHED C=CCCCCCCCN[C@@H](C)c1cc(C)nn1C 810242584 FDNRMFUGNUIYMP-HNNXBMFYSA-N 263.429 3.906 30 20 CHED C#Cc1ccccc1CC(=O)N1CCCC[C@H]1[C@H](C)CC 810481746 VFDIMQZLBWMSRH-QAPCUYQASA-N 283.415 3.638 30 20 CHED N#CC1(OC(=O)c2ccc(C3CCCC3)cc2)CCC1 810624118 MBIPKNSNIRZINY-UHFFFAOYSA-N 269.344 3.947 30 20 CHED Clc1ccc(Cl)c(C=NNC[C@H]2CCSC2)c1 811658173 CVPGCDCBJDPFAM-SECBINFHSA-N 289.231 3.670 30 20 CHED C#CCON=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 812233205 OEPUNUHUEFULEJ-UHFFFAOYSA-N 295.182 3.708 30 20 CHED COc1cccc(O)c1C=Nc1ccc(C)cc1F 812390997 DJVJCANEMSQGSJ-UHFFFAOYSA-N 259.280 3.599 30 20 CHED COCC(=NNc1cccc(C#N)c1)c1ccc(Cl)cc1 814786459 KNJHSANNCCXLDO-UHFFFAOYSA-N 299.761 3.674 30 20 CHED C=CCC(F)(F)C(=O)NCCSCc1ccc(C)cc1 814787039 GWFLAHFBDGHDCJ-UHFFFAOYSA-N 299.386 3.556 30 20 CHED CO[C@](C)(C=NNc1nccc2sccc12)C1CC1 814808608 CRKHWTLKBKCRDP-CQSZACIVSA-N 275.377 3.509 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1ccc2[nH]ncc2c1 814900079 CHJANVYDUUDHJP-UHFFFAOYSA-N 282.322 3.733 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC[C@H]1Cc1ccccc1 815184711 HYOHDODSZWJXTE-HNNXBMFYSA-N 293.357 3.822 30 20 CHED CCCC[C@H](CC)COC(=O)c1ncc(C#N)cc1C 815340695 LAGYLIBTYZGYOJ-ZDUSSCGKSA-N 274.364 3.635 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CCC[C@H](OC)C2)C(C)C)c1 815604346 MBFXEMCLKUGCHI-AEFFLSMTSA-N 299.414 3.615 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)CC1CCCCC1 816512822 VZFGLWXOPLVSAY-LLVKDONJSA-N 259.340 3.673 30 20 CHED CC(C)Oc1ccc(NCc2cncn2C(C)C)cc1C#N 818216195 SRRHQTFJXQRRHE-UHFFFAOYSA-N 298.390 3.735 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)OC[C@@H](C#N)Cc1cccs1 820447659 XDQAEXRGWTWZRH-UMVBOHGHSA-N 291.416 3.800 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)CCCc1cccnc1 822372707 ASRYXKAHTIQXRY-CABCVRRESA-N 274.408 3.511 30 20 CHED N#CCCC[C@H](N)c1nc(C2CCCCCCC2)no1 822874710 FCDBYPBAFBOTOI-ZDUSSCGKSA-N 276.384 3.591 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)C#CC(C)C 824528653 ALNNOOHEVIUYNJ-INIZCTEOSA-N 257.377 3.646 30 20 CHED CC(C)C[C@H](C)OC(=O)N[C@H](C)c1ccc(C#N)cc1 829942463 KBDNXDPMQABLGO-QWHCGFSZSA-N 274.364 3.780 30 20 CHED CCC(C)(C)OCc1ccccc1NC(=O)C#CC(C)C 832142910 ZCEOGQNYMWZEJC-UHFFFAOYSA-N 287.403 3.990 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C1=CC[C@H](C)CC1 836712389 CLBUDISWQKWZHB-LBPRGKRZSA-N 287.334 3.523 30 20 CHED CC(C)(C)C#CC(=O)Nc1csc(-c2ccccc2)n1 837646451 POHOYQNKGWHLAC-UHFFFAOYSA-N 284.384 3.798 30 20 CHED C=CC(C)(C)C(=O)OCc1ncc(-c2ccc(C)cc2)o1 837864581 QVESMBZXQCCXJJ-UHFFFAOYSA-N 285.343 3.905 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCCc2ccccc2)C1 839047451 XEQRRRJWUZGIJL-CVEARBPZSA-N 271.360 3.635 30 20 CHED CCCCS[C@H](C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839048116 LEJCSBDUYQEPMC-FRRDWIJNSA-N 269.410 3.534 30 20 CHED C=C(Cl)CN1CCN(CC(=C)Cl)[C@H]([C@H](C)CC)C1 839528827 RKDRHUNBRDLKBG-RISCZKNCSA-N 291.266 3.524 30 20 CHED CC1(C(=O)OCCC2(C#N)CCCCC2)CCC(=O)CC1 840582030 JAKFXHKGMDEJJK-UHFFFAOYSA-N 291.391 3.543 30 20 CHED CCCCCCCCSC[C@@H]1CCNC(=O)CC1 842187386 WGICFUBYUSEFSQ-AWEZNQCLSA-N 271.470 3.996 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCCCCCCF)c1 842362761 XTMGKPJDFNOHIN-JKSUJKDBSA-N 289.350 3.735 30 20 CHED C#C[C@H](OC(=O)CCCC1CCOCC1)c1ccccc1 842362843 AJMMULXWEQTKOP-KRWDZBQOSA-N 286.371 3.501 30 20 CHED Cc1ccc(COC(=O)c2ccccc2SCC#N)cc1 843460477 BMHDSSHFUKNVLZ-UHFFFAOYSA-N 297.379 3.968 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cccc(SC(F)F)c1 844528531 LQODXDQVKNKKOH-QMMMGPOBSA-N 288.319 3.629 30 20 CHED C[C@H]1c2ccc(Cl)n2CCN1C(=O)CCCCCC#N 848086962 LJSSPCZWTLVMSI-LBPRGKRZSA-N 293.798 3.519 30 20 CHED CCc1ccccc1NC(=S)N1CCC[C@@H](CC#N)C1 849273755 XYMQGSYYLYJGBH-ZDUSSCGKSA-N 287.432 3.571 30 20 CHED C[C@H](C#N)Oc1ccccc1NCCOCc1ccccc1 849315628 BSHMWFWXPUSCOE-OAHLLOKOSA-N 296.370 3.606 30 20 CHED COc1ccc2cc(NCC3(CC#N)CC3)ccc2c1 849316405 BVCHFXYFOVYEDH-UHFFFAOYSA-N 266.344 3.954 30 20 CHED C#C[C@@H](Cc1ccccc1)OC(=O)CC1(C#N)CCCCC1 850905107 UEUCKQSOEDMASR-KRWDZBQOSA-N 295.382 3.638 30 20 CHED CCC1(C(=O)O[C@H](C)CC(C)(C)C#N)CCCC1 851210223 SLUIKAXSCCEBBR-GFCCVEGCSA-N 251.370 3.828 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)c(C)c1 851214803 XJWLETVRNOJALQ-ZDUSSCGKSA-N 259.349 3.789 30 20 CHED CN(CCc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 851772600 BQERCJSJYHXHQR-FQEVSTJZSA-N 290.410 3.590 30 20 CHED C#Cc1cccnc1NC[C@@H]1CCCO[C@H]1c1ccccc1 853231266 GCEHNDGMDIVFHL-ROUUACIJSA-N 292.382 3.643 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](F)c2ccccc2)C1 855438584 KUZDZXQTAXIPLH-UKRRQHHQSA-N 261.340 3.512 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CCOc2c(C)cccc21 860697252 QWSMOLYFFBXKCW-CQSZACIVSA-N 287.359 3.692 30 20 CHED CCCCCCCNC(=O)c1c(C)noc1C1CC1 862357870 KGEBGDSQEYOQEH-UHFFFAOYSA-N 264.369 3.561 30 20 CHED Cc1ccc([C@H](C)C=NN2CCc3ccccc3C2=O)cc1 863104542 KMFJDNFEHOOOGL-OAHLLOKOSA-N 292.382 3.783 30 20 CHED CC(=O)c1c(Cl)cccc1NCC(C)(C)C#N 882171351 AWPWOERMAHROJX-UHFFFAOYSA-N 250.729 3.504 30 20 CHED C=CCCC[C@H](NC[C@@H]1CC[C@H](O)C1)c1ccccc1 883218358 YWEIXHBCJQMPFI-NJAFHUGGSA-N 273.420 3.835 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1F 888364518 DKXLUWMOSVGRNF-HNNXBMFYSA-N 289.354 3.740 30 20 CHED N#C[C@@H]1CCCN(c2nc(-c3ccccc3F)cs2)C1 895648608 QCVNSVWPKNWZFM-NSHDSACASA-N 287.363 3.689 30 20 CHED Cc1c(C(=O)/C=C\c2cncn2C(C)C)cccc1[N+](=O)[O-] 901481439 NJTDRUDXLWOILN-FPLPWBNLSA-N 299.330 3.577 30 20 CHED C[C@H](CCC#N)Sc1nc2ncc(Cl)cc2o1 901672495 OCGYPMQZFQJREO-SSDOTTSWSA-N 267.741 3.661 30 20 CHED CC(=NNc1ccc(Cl)c(C)c1)C1CCOCC1 905514378 WPKHPOWUTQJESY-UHFFFAOYSA-N 266.772 3.863 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H](C)c1cnccn1 906371818 QBIDIHGXJGYFFG-HNNXBMFYSA-N 291.439 3.789 30 20 CHED Cc1ccccc1NC(=S)NN=C[C@H]1CC=CCC1 915920806 JJSLEMBPIODJMZ-ZDUSSCGKSA-N 273.405 3.624 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2c(C)n[nH]c2C)cc1 915986183 YYQUPURUYCABSO-MDZDMXLPSA-N 284.359 3.711 30 20 CHED CCCn1c(C=NOCc2ccccc2)nc2ccccc21 917546052 MIFIZVNQZMLAMA-UHFFFAOYSA-N 293.370 3.997 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1ccc(C(C)C)cc1 917554619 DJWFPVSKRGTHEE-UHFFFAOYSA-N 282.347 3.814 30 20 CHED C=CCN(C(=S)N[C@@H](C)c1ccccc1)C(C)C 917589460 ZZITUOWZFVRNQP-ZDUSSCGKSA-N 262.422 3.519 30 20 CHED C[C@@H](NN=Cc1cc(Cl)ccc1O)c1ccccc1 920386178 STPULJYNXZMZTM-LLVKDONJSA-N 274.751 3.730 30 20 CHED CCOc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1OC 924657131 URPDSKXTILYRBS-ZDUSSCGKSA-N 290.407 3.512 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1cc2ccccc2o1 925452708 DOCULEUMAXMCTO-ZDUSSCGKSA-N 270.376 3.893 30 20 CHED CCSc1ccccc1CCN[C@@H]1CC[C@@H](C#N)C1 926920528 RAZBATYOUILCPM-UKRRQHHQSA-N 274.433 3.623 30 20 CHED C=C1CN(C(=O)Nc2ccc(OCCC(C)C)c(F)c2)C1 931868079 HUTHAJIOYTWRIK-UHFFFAOYSA-N 292.354 3.654 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ncsc1C(C)C 936020939 JBHZWEUKSADDDZ-SNVBAGLBSA-N 252.383 3.807 30 20 CHED C=CCCCC(=O)Oc1ccc(C)c2c1C(=O)C[C@H]2C 1116205156 LDIXISAGOQHIFB-GFCCVEGCSA-N 272.344 3.947 30 20 CHED CCC[C@H](C)c1noc(-c2cccc(C#N)c2C)n1 1117590086 MNCZCPNHJHSXBT-JTQLQIEISA-N 255.321 3.820 30 20 CHED C=C(C)CCC(=O)NC[C@@H](OC)c1cccc(Cl)c1 1120611108 HPVNSWYTJKLEEI-CQSZACIVSA-N 281.783 3.500 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1c[nH]c2ccc(C)cc12 1120815706 ZDMXNQOVVQXDJT-UHFFFAOYSA-N 284.403 3.737 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CCCC(C)=O)c1cccs1 1123010153 PAAPIBBSLDITOZ-DOMZBBRYSA-N 293.388 3.641 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)c1cc(C#N)ccc1F 1141812168 MQZAAUAJNSOQFV-SNVBAGLBSA-N 288.347 3.592 30 20 CHED COc1cccc(CNc2ccc(Cl)c(C#N)n2)c1C 1163763920 FNVVWHINFAFROD-UHFFFAOYSA-N 287.750 3.536 30 20 CHED N#Cc1ccc(CCN2CCC[C@H](c3ccccc3)C2)cc1 1208926736 KTDLTPBOSKEOKQ-FQEVSTJZSA-N 290.410 3.980 30 20 CHED C[C@@H]1CCCCN(Cc2ccc(Cl)cc2C#N)C1 1232604723 HBGGVILMMVZNHE-GFCCVEGCSA-N 262.784 3.834 30 20 CHED CCC[C@@H]1CCCN1c1ncc(Cl)c(C)c1C#N 1307225784 MHTJPIBSEUSDHS-LLVKDONJSA-N 263.772 3.684 30 20 CHED N#Cc1ccc(OCc2nnc(CC3=CCCCC3)o2)cc1 1322646097 SEKRGRMNYSFMAE-UHFFFAOYSA-N 295.342 3.563 30 20 CHED C=CCCCC(=O)NC1(c2ccccc2OC)CCC1 1323515612 YYEWCIXDTWVVLV-UHFFFAOYSA-N 273.376 3.547 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)OC2CCCCC2)c1 1324951245 WCUSRAFPQGJJDV-CYBMUJFWSA-N 286.375 3.543 30 20 CHED C=CCC(CC=C)C(=O)N(OC)[C@H](C)c1csc(C)n1 1325265081 LSYNRIDERSJZPB-LLVKDONJSA-N 294.420 3.671 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2csc(C#N)c2)C1 1327932405 MUTYZKTWIQYFFV-BLLLJJGKSA-N 288.416 3.661 30 20 CHED N#CC1(CC(=O)OCc2ccccc2F)CCCCC1 1329533318 YQZRUDBFCNOBSZ-UHFFFAOYSA-N 275.323 3.733 30 20 CHED CC(C)C[C@H](C)OC(=O)C1(c2cccc(C#N)c2)CC1 1330824330 OXSKOCATZQKDKV-ZDUSSCGKSA-N 271.360 3.568 30 20 CHED N#CC1CCN(c2ccnc(-c3cccc(Cl)c3)n2)CC1 1331541485 ITGSLXYZGJFADN-UHFFFAOYSA-N 298.777 3.537 30 20 CHED CCCCN(C(=O)CC#Cc1ccccc1)c1ccccn1 1331671629 XUDFUUBHMUMBAT-UHFFFAOYSA-N 292.382 3.657 30 20 CHED C#Cc1ccc(N[C@@H]2CCCc3sccc32)nc1 1337931523 LKOVRMOMMNYHAO-CYBMUJFWSA-N 254.358 3.614 30 20 CHED C[C@H](CC(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1 1347949451 WPUKNPKCBUIFKB-CJNGLKHVSA-N 283.327 3.971 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 1349908407 ZNAXGPVRJSEOJI-QJPTWQEYSA-N 290.329 3.506 30 20 CHED C[C@H](Nc1cc(C#N)cnn1)c1csc2ccccc12 1458685073 KGZIMTRGZGWCRA-JTQLQIEISA-N 280.356 3.736 30 20 CHED N#Cc1ccc(SCc2csc(Cl)n2)cc1 1458910931 INWXRMGIVALYBZ-UHFFFAOYSA-N 266.778 3.960 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1F 1466788478 IWMOBIXJJWPVQD-AWEZNQCLSA-N 289.354 3.788 30 20 CHED CCC(CC)(CN=c1cc[nH]cc1C#N)c1ccc(F)cc1 1472839123 MIXIXCUHVSHSDI-UHFFFAOYSA-N 297.377 3.684 30 20 CHED N#Cc1cc(CN2CCCc3cccc(F)c32)ccc1F 1473265898 DDHVFNSOSPDJPR-UHFFFAOYSA-N 284.309 3.789 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1oc(C2CC2)nc1C(F)F 1518103700 PUFFRSOEOGSNRC-SNVBAGLBSA-N 296.317 3.670 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)/C(C)=C/C1CCC(C)CC1 1526587191 LVWBFMCXSIBMLV-MAVUSWFISA-N 299.418 3.852 30 20 CHED C=C(CC)C(=O)N1CCCc2c([nH]c3c(F)cccc23)C1 1548700036 OXBOHIIVLPOBRT-UHFFFAOYSA-N 286.350 3.548 30 20 CHED CC[C@@H]1CCc2ccccc2N1Cc1cc(C#N)ccn1 1559637783 ZYAFWMANWOHRAZ-QGZVFWFLSA-N 277.371 3.685 30 20 CHED C=CCCC(C)(C)CNCc1cc(C(=O)O)c(C(C)C)[nH]1 1573353393 UHYJHCHLYFDVOR-UHFFFAOYSA-N 292.423 3.918 30 20 CHED C=CCC[C@@H](NCc1cc(C(=O)O)co1)c1ccccc1 1588778601 GNPCAYBMCMYPLT-MRXNPFEDSA-N 285.343 3.775 30 20 CHED Cc1csc(-c2ccc(Nc3ccnc(C#N)n3)cc2)n1 1611908706 MQVWJGKYWFSRKI-UHFFFAOYSA-N 293.355 3.524 30 20 CHED C[C@H](CC(C)(C)C)Nc1ncc(C#N)cc1Cl 1612459113 NYHXPGDCNFYBJI-SECBINFHSA-N 251.761 3.843 30 20 CHED Cc1ccc(COc2ccc(C#N)c(F)c2)c(C)c1 1613548309 KCUFJESDIDMQHC-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C=C(Br)COc1c(C)cc(Cl)cc1C#N 1613876111 ZUVVTOFBVZJRKV-UHFFFAOYSA-N 286.556 3.808 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(CC3(CC#N)CC3)C2)cc1 1645456953 RXUQJAJEHZJFMA-WBVHZDCISA-N 268.404 3.867 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1ccc(C)cc1O 1776086254 JOJOCQNTSBDBPS-UHFFFAOYSA-N 298.342 3.543 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@@H](C)c2ccc(Cl)cc2)C1 1776157372 GGFJYPADGOGYNX-LRDDRELGSA-N 293.794 3.754 30 20 CHED Cc1cccc(C)c1NC(=S)NN=C1CCCC1 6288139 YAYCJWKBLQHJFR-UHFFFAOYSA-N 261.394 3.520 30 20 CHED C[C@H](SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 7211460 COPVJKLGQAGNGT-ZDUSSCGKSA-N 296.395 3.991 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc[nH]1 108324322 WYXOBBWJYUWKDP-NSHDSACASA-N 285.372 3.519 30 20 CHED N#C[C@@H](C(=O)c1cccc2ccsc12)c1ccccn1 343909731 AUSDPMJTXRULDM-CYBMUJFWSA-N 278.336 3.786 30 20 CHED CCCCCCCSc1nnc(NC(C)=O)s1 105359584 REBAVIOIMCTGBS-UHFFFAOYSA-N 273.427 3.559 30 20 CHED C=CCCCOC(=O)Cc1c(C)nn(-c2ccccc2)c1C 117993714 IFBFZNIIFDEASA-UHFFFAOYSA-N 298.386 3.541 30 20 CHED N#Cc1sc(Oc2cc(F)ccc2F)nc1Cl 310162740 QPEXTLIQXJPJQA-UHFFFAOYSA-N 272.663 3.739 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1Br 116995826 VMGYDQFMQGFZMP-VIFPVBQESA-N 283.169 3.535 30 20 CHED C[C@@H](NCC1(c2ccccc2)CC1)c1ccc(C#N)cc1 173848404 HUHFJXJNPIMLDN-OAHLLOKOSA-N 276.383 3.941 30 20 CHED C=CCCCCCN1CCC[C@H]1C[C@@H](O)c1ccco1 248737910 PGPHENBPESBZSQ-JKSUJKDBSA-N 277.408 3.914 30 20 CHED CCCCCN1CCC(Oc2cccc(C#N)c2)CC1 117879522 OAMPTTXZVFLWCJ-UHFFFAOYSA-N 272.392 3.592 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H](C)C(C)C)cc1C#N 178661964 OSWIIFRYYLYUCD-LBPRGKRZSA-N 274.364 3.576 30 20 CHED CSC1CCN(c2cccc(Cl)c2C#N)CC1 302258704 BULNFZDAHQCFEC-UHFFFAOYSA-N 266.797 3.543 30 20 CHED C=CCCCC(=O)N[C@H](C)c1cc2ccccc2o1 175126030 AGQIEIBBLJVLGK-GFCCVEGCSA-N 257.333 3.966 30 20 CHED CCC1(CNC(=O)Nc2ccc(C#N)cc2)CCCC1 471591856 AQGLOXXLPZPVDG-UHFFFAOYSA-N 271.364 3.650 30 20 CHED CCCCCCCCC(=O)NCc1cnc(C)s1 119621512 HNKWADPFVNDYPM-UHFFFAOYSA-N 268.426 3.818 30 20 CHED CCC[C@@H](CN1CCC(C#N)CC1)c1ccccc1 179924763 CKJUYTYYMWIIRN-KRWDZBQOSA-N 256.393 3.806 30 20 CHED N#Cc1ccc(F)c(CNC2(c3cccc(F)c3)CC2)c1 179680581 YCCJGLFZQLXJHM-UHFFFAOYSA-N 284.309 3.615 30 20 CHED CC[C@H](F)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1436546589 MVGITQHOSZUXRA-QXEWZRGKSA-N 294.395 3.992 30 20 CHED COC[C@@H](Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1 301964378 VYVSOKKPCPXTPL-MRXNPFEDSA-N 288.297 3.636 30 20 CHED Cc1ccc(F)cc1CN(C)Cc1ccc(C#N)cc1 179929328 FXIIQFGKNVGTAQ-UHFFFAOYSA-N 268.335 3.638 30 20 CHED COc1ccc2nc(C)nc(Oc3ccc(C#N)cc3)c2c1 301982533 YBVJQDMVEUBARP-UHFFFAOYSA-N 291.310 3.611 30 20 CHED CCN(Cc1cccs1)c1ccc(F)cc1C#N 111036197 JZWOWUWIICGVCD-UHFFFAOYSA-N 260.337 3.785 30 20 CHED COc1cccc(/C=C2\CCCC(C)(C)C2=O)c1OC 177021425 KHWRFGXMBJMKST-ACCUITESSA-N 274.360 3.866 30 20 CHED CC(=O)c1ccc(C#N)c(NCCc2ccc(F)cc2)c1 302010658 CFXAJXWQTJJBCC-UHFFFAOYSA-N 282.318 3.555 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1cnn(CCC)c1 174118402 VMSHIKHSZDFLJP-UHFFFAOYSA-N 298.390 3.513 30 20 CHED C=C[C@H](CC(=O)Nc1cnn(C(C)C)c1)c1ccccc1 127396766 AHJMYEOOTWKYRX-CQSZACIVSA-N 283.375 3.762 30 20 CHED Cc1c(Cl)c[nH]c(=NC[C@H]2CCCC(F)(F)C2)c1C#N 409645611 ASGVNDCGDPGYLT-JTQLQIEISA-N 299.752 3.574 30 20 CHED N#CCCCOc1cccc(NCc2ccc(O)cc2)c1 37777429 VLJZSAOWAFQZEF-UHFFFAOYSA-N 282.343 3.687 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 180198474 DSDBGXBWMACNSK-SFHVURJKSA-N 298.430 3.610 30 20 CHED CC(C)C1CCC(NC(=O)c2cccc(C#N)c2)CC1 478314222 RSWUGHXMNLOWJV-UHFFFAOYSA-N 270.376 3.503 30 20 CHED C=C(Cl)CSCc1nc(CCC(C)C)no1 123298960 IBXDDVHTJIJFTH-UHFFFAOYSA-N 260.790 3.644 30 20 CHED CCN(C)C(=O)c1ccccc1Sc1ccccc1C#N 71869188 PDBVTNPAIWPDOU-UHFFFAOYSA-N 296.395 3.801 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)[C@@H](C)CC 183551414 HHLNFTSZIBZNKB-GJZGRUSLSA-N 284.403 3.755 30 20 CHED COCc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 37762645 XGBLSEMAMOMDTF-AWEZNQCLSA-N 280.371 3.555 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C#N)ccc2F)C1 362383766 BFZBMJNBISBPHK-HUUCEWRRSA-N 292.423 3.803 30 20 CHED N#CCCCCSc1nnc(CCc2ccccc2)o1 122826043 GMDSMUXPFDSVQZ-UHFFFAOYSA-N 287.388 3.641 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2ccc(C)c(C)c2)s1 79262744 ICVIPAAUPPLQHJ-UHFFFAOYSA-N 298.411 3.980 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OCCC)cc1 189703387 JMBJSUXSROTLBS-KRWDZBQOSA-N 291.391 3.643 30 20 CHED CSc1ccccc1C[C@@H](C)NCC1(C#N)CCC1 418135667 BIFATYWLEHZMMZ-CYBMUJFWSA-N 274.433 3.623 30 20 CHED CC(C)(C)c1ccncc1CN[C@H]1CCC[C@H](C#N)C1 414234994 TUORTOBZJMGAIL-ZFWWWQNUSA-N 271.408 3.551 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(C(C)C)n[nH]1)c1ccccc1 188207827 TUURSIOTJLDPGW-CQSZACIVSA-N 283.375 3.832 30 20 CHED C=CCC[C@@H](NCCC1CC(OCC)C1)C1CC1 189260667 UNPKMBDMHJMNFT-AVVWSFFYSA-N 251.414 3.526 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@H](Oc2ccccc2)C1 412706227 GEKXXMXSEKHQLX-INIZCTEOSA-N 287.403 3.659 30 20 CHED C=CCCCNc1cc(C[S@](C)=O)ccc1Cl 77246181 ACODDGWQQWJERK-QGZVFWFLSA-N 271.813 3.597 30 20 CHED CCN(CC)CCC[C@H](C)Nc1c(F)cc(C#N)cc1F 126966810 VXYCRBNOVWYNMG-LBPRGKRZSA-N 295.377 3.759 30 20 CHED CC[C@H](C#N)Sc1ncc(-c2ccc(F)cc2)[nH]1 127315975 APHDMGKEKZKYII-LLVKDONJSA-N 261.325 3.610 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)CCSC 77643495 ZAFUERQUZUVCBV-AWEZNQCLSA-N 292.448 3.526 30 20 CHED C=CCCCOc1cccc(NC(=O)NCCC)c1 77239427 DSYLKFBHUHNGRQ-UHFFFAOYSA-N 262.353 3.563 30 20 CHED CC(C)(C#N)COC(=O)CCCc1c[nH]c2ccccc12 180129910 LXPSKIBPOOPZNT-UHFFFAOYSA-N 284.359 3.584 30 20 CHED C[C@H](N[C@@H]1CCc2ccccc2OC1)c1ccc(C#N)cc1 509516307 NWIJFWXXOQBNDX-KBXCAEBGSA-N 292.382 3.603 30 20 CHED CC(C)(CC#N)CN[C@@H](c1ccc(F)cc1)c1cccnc1 414160384 CTIOIUCZDGPDQY-KRWDZBQOSA-N 297.377 3.840 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C/c1ccccc1 187510336 ZDHGRQBGYALSGP-VAWYXSNFSA-N 270.376 3.631 30 20 CHED C=CCSCCNC(=O)[C@H](CC(C)C)c1ccccc1 508899347 OPMLZNBLWZXZPW-MRXNPFEDSA-N 291.460 3.852 30 20 CHED C[C@@H](SC[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(C#N)c1 419459676 DHXMLSCFLGETFU-MSQAHXEGSA-N 273.401 3.920 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)c(OC)cc1C 184184138 FTASNENWSBQUKR-UHFFFAOYSA-N 277.339 3.850 30 20 CHED C=C(C)CN1CCC(NCC(C)(C)c2ccccc2)CC1 181776037 BTVINLJEJYLYQR-UHFFFAOYSA-N 286.463 3.594 30 20 CHED C#CCCCCC(=O)N1CCCc2cc(C)cc(F)c21 182790889 BQEVHGYNBBOFKC-UHFFFAOYSA-N 273.351 3.607 30 20 CHED N#CCOc1ccc(N[C@H]2CCc3c(F)cccc32)cc1 214682107 ZOAOUBKYZVXTRH-KRWDZBQOSA-N 282.318 3.827 30 20 CHED CCCc1ccccc1NC(=O)NCc1cccc(C#N)c1 44079445 SUTYUZJERZSSJI-UHFFFAOYSA-N 293.370 3.832 30 20 CHED CCCN(Cc1ccccc1C(C)(C)C#N)C1CC1 135188122 SCVCNADPFDAUCU-UHFFFAOYSA-N 256.393 3.862 30 20 CHED Cc1cccc([C@H](O)CNc2c(Cl)cccc2C#N)c1 132574019 WRDXHYATEHNDCO-OAHLLOKOSA-N 286.762 3.666 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(OC(C)(C)C)cc1 410824815 DQVRTRLWXTZNGE-CQSZACIVSA-N 288.391 3.628 30 20 CHED C[C@@H](Cc1ccsc1)NCC(C)(C)CCC#N 229693170 XIFZPSYBTZJEEJ-LBPRGKRZSA-N 250.411 3.599 30 20 CHED CC[C@@H](NC1CCC(COC)CC1)c1ccc(C#N)cc1 414303902 DUGHIWSQTWNHNH-VMWRSERWSA-N 286.419 3.804 30 20 CHED N#CCCN(CCC#N)Cc1cc(Cl)ccc1Cl 160478545 CGWUNXDHVHJSAK-UHFFFAOYSA-N 282.174 3.623 30 20 CHED C#CC[C@@H](C)OC(=O)c1csc(-c2ccccc2C)n1 83782407 FKLXZEVGICLWSX-GFCCVEGCSA-N 285.368 3.687 30 20 CHED C=CCCc1ccccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 410350824 URNZROWQYBPQPA-KBPBESRZSA-N 287.403 3.947 30 20 CHED C=C(C)CN(C)Cc1ccc(OC(F)F)c(OCC)c1 46777294 VJBFKVWURPOSBI-UHFFFAOYSA-N 285.334 3.695 30 20 CHED C=CCCCCCSCc1noc(C2CC2)n1 192540805 WCDXZVMTPCDWAY-UHFFFAOYSA-N 252.383 3.927 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1ncccc1C 49027311 ZOSVQTSJNAWXBB-UHFFFAOYSA-N 287.388 3.672 30 20 CHED C[C@@H](C(=O)O[C@@H](C#N)C1CC1)c1ccc2ccccc2c1 84695806 ZJRFGFMZEYUEGQ-PXAZEXFGSA-N 279.339 3.789 30 20 CHED C=CCCOCC(=O)N[C@H](c1cccs1)C(CC)CC 138776418 APQFKZMUOFVKGC-INIZCTEOSA-N 295.448 3.934 30 20 CHED CC(C)c1ccc(CN(C)Cc2cc(C#N)n(C)c2)cc1 191173556 CJEQYKDIOSLKGD-UHFFFAOYSA-N 281.403 3.652 30 20 CHED CCn1c([C@@H]2CCCN2CCCCC#N)nc2ccccc21 84131598 DGCRUNIKNMKTAX-KRWDZBQOSA-N 296.418 3.887 30 20 CHED C=CCOc1ccc(CNC(=O)N(CC)CCCC)cc1 514623247 AUPYTHCZDFRMLF-UHFFFAOYSA-N 290.407 3.583 30 20 CHED CC1(C)CCCC[C@@H]1C/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 328641727 DIHDVNJWWNMHGA-ZIAGYGMSSA-N 289.423 3.830 30 20 CHED N#Cc1cccc(OCCCOCc2ccccc2)c1 34674882 BDTNJODSBGOSDK-UHFFFAOYSA-N 267.328 3.544 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H](C)c2cccc(OC)c2)c1 84522662 PLLGDHFEEXGNCN-CQSZACIVSA-N 293.366 3.809 30 20 CHED CC(C)(C#N)CCOc1cccc(F)c1Br 530126553 QLHRDAXUNYOFJD-UHFFFAOYSA-N 286.144 3.907 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@H](C)Cc1cccc(F)c1 425607173 NLMQFHKNACMHKX-CYBMUJFWSA-N 277.383 3.817 30 20 CHED C[C@H](CC(=O)N1CCc2c(C#N)cccc21)c1ccccc1 421652634 SZFOYOKWHKEQBY-CQSZACIVSA-N 290.366 3.641 30 20 CHED N#Cc1ccc(Nc2ccc3ncsc3c2)c([N+](=O)[O-])c1 193965185 MCZYEQWSHZOFEF-UHFFFAOYSA-N 296.311 3.820 30 20 CHED CC1=C(C(=O)Nc2ccc(CC#N)cc2Cl)CCC1 335042264 ZGXFRMCSMOQSFK-UHFFFAOYSA-N 274.751 3.845 30 20 CHED CCCCCCCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 143574631 MHUKTTBHHGSFJF-UHFFFAOYSA-N 299.392 3.729 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCCC[C@@H]1O 86016248 ILBKCKFJHQLXBM-YGRLFVJLSA-N 298.308 3.540 30 20 CHED C=C(CC)CN1CCC2(CC1)OCCc1ccsc12 336497720 BJFKPZUETXUFDV-UHFFFAOYSA-N 277.433 3.578 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1C(C)C 334680544 DOKHKIIWPWYKNT-UHFFFAOYSA-N 267.332 3.571 30 20 CHED Cc1c(C(=O)N(C)[C@H](C)C2CC2)sc2ccc(C#N)cc12 429856703 ZFKXOJLLFDAZNE-LLVKDONJSA-N 298.411 3.952 30 20 CHED CC[C@H](C)C[C@H](C)Nc1nc(Cl)c(C#N)s1 234007667 UIHBCOXUKCRDBK-YUMQZZPRSA-N 257.790 3.905 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(Nc2cnn(C)c2)c1 424706621 LMMVABVJPYQZDW-UHFFFAOYSA-N 298.390 3.705 30 20 CHED N#Cc1ccncc1N[C@@H]1CCSc2c(F)cccc21 94135324 LWLQFZHBWDSQDV-CYBMUJFWSA-N 285.347 3.741 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2CCc2ccccc2)c1 516961729 OOQMHJHLVQDNOF-KRWDZBQOSA-N 277.371 3.555 30 20 CHED CCN(Cc1cnc(C2CCCC2)s1)C[C@@H](C)C#N 91982784 XZHFSGMQLVRWMT-LBPRGKRZSA-N 277.437 3.782 30 20 CHED C[C@H](NCC1(CC#N)CC1)C(C)(C)c1ccccc1 430721274 BUKXINBXVGOBOU-AWEZNQCLSA-N 256.393 3.636 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(-c2ccccc2)o1 93090384 SYFDBJPFTBPHED-CYBMUJFWSA-N 254.333 3.681 30 20 CHED Cc1ccn(C)c1C(O)=Nc1cccc(C(C)(C)C)c1O 331276128 CJTKYRFIGMOMBI-UHFFFAOYSA-N 286.375 3.973 30 20 CHED C=CCC[C@@H](NC(=O)NC1CC(C)C1)c1ccccc1 435096611 NJFZXADUZZUQHQ-AVVWSFFYSA-N 272.392 3.792 30 20 CHED N#CCCN1CCC[C@H](CCCc2ccccc2)C1 439150743 IFBUPXLKQUIMFG-KRWDZBQOSA-N 256.393 3.635 30 20 CHED Cc1nc(C(C)C)oc1COc1ccc(C#N)cc1F 436475755 PTFZJBKNSIWIKZ-UHFFFAOYSA-N 274.295 3.696 30 20 CHED C=CCNC(=O)CSc1cc(C(C)(C)C)ccc1C 248022837 MZLJZVSNXWRHCQ-UHFFFAOYSA-N 277.433 3.687 30 20 CHED CC(C)OC(=O)c1cccc(COc2ccccc2C#N)c1 524450401 YZVYLDVOWFLGSC-UHFFFAOYSA-N 295.338 3.702 30 20 CHED N#Cc1cccc(C#N)c1NCc1cc2ccccc2[nH]1 436311318 KMODTMATQSCJMV-UHFFFAOYSA-N 272.311 3.523 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCSC(C)(C)CC1 434708937 WJEPIZXWSHWQJU-ZDUSSCGKSA-N 274.433 3.837 30 20 CHED CC#CCN(C)C(=O)c1cscc1-c1ccccc1 341072158 AAYAAZVBSWGWRR-UHFFFAOYSA-N 269.369 3.510 30 20 CHED N#CCCCCN[C@H](c1ccc(F)cc1)c1ccccn1 346550058 DAWUDGMMMSOEPB-QGZVFWFLSA-N 283.350 3.594 30 20 CHED C=CCCCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 522775922 QJZABMZURGSXIP-SFHVURJKSA-N 289.419 3.642 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cc(C2CC2)ccc1F 529438752 LMSXOMNRRJDOFE-UHFFFAOYSA-N 288.366 3.649 30 20 CHED CCc1c(NCc2ccc(C#N)o2)cnn1-c1ccccc1 342319222 WYKZDZDJEPDETK-UHFFFAOYSA-N 292.342 3.511 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(-c2ccccc2)c1CC 341660364 ZVATUSVTZDSPMT-CQSZACIVSA-N 297.402 3.519 30 20 CHED Cc1cccc(C(=O)NCC(C)(C)CCC#N)c1Cl 345887397 OWALYWLEQBUYRA-UHFFFAOYSA-N 278.783 3.708 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 607601312 VKHPOIKOWZTSMV-ZWKOTPCHSA-N 299.414 3.950 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 248816542 KZEBNSZANQZIGX-LALPHHSUSA-N 290.794 3.836 30 20 CHED CCC(C#N)(CC)C(=O)N1CCc2cccc(Cl)c2C1 529480999 YZKFYMCPLFWCHM-UHFFFAOYSA-N 290.794 3.555 30 20 CHED CO[C@@H](CN(C)CC(C)(C)C#N)c1ccc(Cl)cc1 433299584 BYZXHDNYFBQNNL-AWEZNQCLSA-N 280.799 3.509 30 20 CHED C=CCn1c(C)cc(C(=O)COc2cccc(F)c2)c1C 255933340 JZASRNOXQXJTOU-UHFFFAOYSA-N 287.334 3.692 30 20 CHED CC(C)c1nc(/C=C/c2ccncc2C#N)c2ccccn12 349103807 CYKQNUXATVSDFF-VOTSOKGWSA-N 288.354 3.895 30 20 CHED C=C(CNC(=O)Nc1ccccc1N(C)C)c1ccccc1 348730625 PHHWQITYVOHWQQ-UHFFFAOYSA-N 295.386 3.588 30 20 CHED C[C@@H](CNCC1(CC#N)CC1)c1cccc(Cl)c1 430006690 PNNPJFIEYXTDPY-LBPRGKRZSA-N 262.784 3.727 30 20 CHED COc1ccc([C@H](C)CCNC[C@H](C)CCC#N)cc1 602556721 LUDIIABGFFLXIB-HUUCEWRRSA-N 274.408 3.718 30 20 CHED C=CCCCC(=O)Nc1c(C)cc(OC)c(C)c1C 345975685 XMPMDOWPJLIYCC-UHFFFAOYSA-N 261.365 3.915 30 20 CHED Cc1cc(C)c(/C=C/CNCCCCC#N)cc1C 601105643 KHJGEMQUDQVGRG-BQYQJAHWSA-N 256.393 3.909 30 20 CHED C=CCCCNC(=O)c1cc(C(C)C)c(O)cc1C 436667597 UKQZRMYJZIKFEL-UHFFFAOYSA-N 261.365 3.520 30 20 CHED Cc1nc(C(=O)Nc2ccc(F)c(C3CC3)c2)ccc1C#N 342101402 QUIKSCLSIDFSRS-UHFFFAOYSA-N 295.317 3.531 30 20 CHED N#Cc1cc(Cl)ccc1N1CCc2ccccc2C1 52859518 WDFUDFPIWFOGGN-UHFFFAOYSA-N 268.747 3.774 30 20 CHED C[C@H](c1cc2ccccc2o1)N(C)CC1(C#N)CC1 343253842 BDJKYLUCLSVWPV-GFCCVEGCSA-N 254.333 3.729 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCC1CCC(C)(C)CC1 602577832 CPCOAAXQOFFUEH-HNNXBMFYSA-N 292.467 3.891 30 20 CHED N#CCSCC(=O)Nc1cccc(-c2ccccc2)c1 345642232 RPZOJMRHPDGWKJ-UHFFFAOYSA-N 282.368 3.549 30 20 CHED C[C@H](NCc1ccc2ccccc2n1)c1cccc(C#N)c1 341785665 AHUVXIXRGDEBKM-AWEZNQCLSA-N 287.366 3.957 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H]1CCCc2ccccc21 527821707 JKOMNPJFWVNGIL-HNNXBMFYSA-N 284.403 3.553 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2ccn(-c3ccccc3)n2)c1 255521734 DYURLNXVFACTJC-KTKRTIGZSA-N 299.333 3.640 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](C)C1 444133685 FTOTVSAXPYFTEZ-WMLDXEAASA-N 299.418 3.667 30 20 CHED N#Cc1csc(/C=C2\Cc3ccc(F)cc3C2=O)c1 255307286 LQEDHMMDGSILQA-VZUCSPMQSA-N 269.300 3.581 30 20 CHED COc1cc(C#N)ccc1CNc1ccc2ccoc2c1 442868728 CPMMKKOOLULBNC-UHFFFAOYSA-N 278.311 3.925 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 604880262 LFDUEXAGHPRWFT-LSDHHAIUSA-N 289.419 3.967 30 20 CHED C=C(CNC(=O)c1ccc(C(C)C)nc1C)c1ccccc1 354679095 JXHILWALKJHGDR-UHFFFAOYSA-N 294.398 3.957 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1cc(C#N)cs1 350015087 LFUMZKJDDQAYSJ-SNVBAGLBSA-N 274.414 3.801 30 20 CHED CC(C)(C)c1ccccc1OCCN[C@@H]1CC[C@H](C#N)C1 442873144 KQZSOCTYLUWBSV-LSDHHAIUSA-N 286.419 3.645 30 20 CHED C=CCCCCNC(=O)Nc1ccc2cnn(CC)c2c1 352541818 DGUUNRZQJAUBPN-UHFFFAOYSA-N 286.379 3.534 30 20 CHED C=CCC[C@@H](NC(=O)c1ncoc1CC)c1ccccc1 269407144 NMGRYYLNZPTABC-CQSZACIVSA-N 284.359 3.674 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1OC(F)F 265268536 FLHMHTJPRZXSFK-QWRGUYRKSA-N 298.333 3.613 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(OCC)cc1 537189681 ZXQDIAXYBDONEW-CQSZACIVSA-N 290.407 3.629 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@H]1c1cccc(F)c1 610966927 GGSDLYFTKJFXLQ-KRWDZBQOSA-N 296.345 3.653 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 532334432 DHYIFJSUJYLMBW-DOMZBBRYSA-N 273.376 3.788 30 20 CHED CCc1cccc(Cl)c1CN(CCC#N)CCC#N 355040705 QBVMHKPDPFHATM-UHFFFAOYSA-N 275.783 3.532 30 20 CHED Cc1cc(C)c(CNC(=O)c2ccc(CC#N)cc2)c(C)c1 533883770 AUVADWHIVRYTIO-UHFFFAOYSA-N 292.382 3.608 30 20 CHED N#CCCCCN[C@@H](c1ccccc1)C1(CO)CCCC1 459531187 NQAVXCLGAHXPGR-KRWDZBQOSA-N 286.419 3.564 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@H]2CCc3ccccc32)C1 617783663 DLWYQWJKJSXNCE-RDJZCZTQSA-N 283.415 3.921 30 20 CHED C=CCC[C@@H](N[C@H](C)c1nccn1CC)c1ccco1 453336723 FLDCRWOVXJTYDD-ZIAGYGMSSA-N 273.380 3.854 30 20 CHED C[C@H](c1noc([C@H](C)c2cccc(C#N)c2)n1)C1CC1 361272024 MJNGUFKOEVSNTA-WDEREUQCSA-N 267.332 3.607 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1ccc(Cl)c(C#N)c1)CC2 611490589 ZVDISVNQCKILMJ-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 361188509 SSNYCOPOVLUHRJ-ZWNOBZJWSA-N 267.319 3.733 30 20 CHED C/C(=C/c1ccccc1)CN(C)C(=O)NCC(C)(C)CC#N 459240902 QQKKXMDAKCHKSA-QINSGFPZSA-N 299.418 3.671 30 20 CHED C=C(CC)CNC(=O)Nc1ccc2[nH]c(C)cc2c1 454734213 QPRHJMCKXBHVBR-UHFFFAOYSA-N 257.337 3.564 30 20 CHED C=CCC1(CNC(=O)c2cc(C)oc2C)CCCC1 456489568 UQOKUCZJKWEKHP-UHFFFAOYSA-N 261.365 3.763 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(F)ccc3ccncc23)C1 617776806 BIFNLVYFRVQPFX-ZDUSSCGKSA-N 298.361 3.802 30 20 CHED CC(C)(C#N)CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 611689887 SRIOREQMOJCBAX-SJORKVTESA-N 292.382 3.609 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 454493031 ADPNYHDBADXSOD-JKSUJKDBSA-N 272.392 3.588 30 20 CHED C=C(CNC(=O)[C@H]1CCCCC1(F)F)c1ccccc1 451754221 IGTYVPIMIDDXDG-CQSZACIVSA-N 279.330 3.642 30 20 CHED C[C@@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccsc1 618787532 KOBLMHJWOYDTOJ-BZNIZROVSA-N 296.395 3.527 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(-c2ccc(F)cc2)no1 614396218 IRWJLTPKAPZTTP-ZDUSSCGKSA-N 288.322 3.565 30 20 CHED N#CCCCN1CCC[C@H](c2ccc(F)cc2)CC1 364879809 JGLOELJRWQQSND-AWEZNQCLSA-N 260.356 3.699 30 20 CHED C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCC1 610976312 ZUYOSCUHXLRGAK-PBHICJAKSA-N 284.403 3.974 30 20 CHED C=CCCCCNC(=O)N[C@@H](CCC#N)c1ccccc1 274464130 CFDQRJPGBFHHFY-INIZCTEOSA-N 285.391 3.687 30 20 CHED C=C(CNC(=O)[C@]1(C)CCC[C@@H]1C)c1ccccc1 452001613 GFXLLFTYNBMNCI-WMLDXEAASA-N 257.377 3.642 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1c(C)cccc1Cl)OCC 270171575 LIYZCQPRKKPEDE-CYBMUJFWSA-N 281.783 3.958 30 20 CHED C=CC1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 455606501 SLRXBCPFVQHOOE-UHFFFAOYSA-N 296.414 3.552 30 20 CHED C=CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1Cl 451044172 VMHOAEDJHPFHHO-MRVPVSSYSA-N 290.215 3.776 30 20 CHED C=CCN(C(=O)c1cc(Cl)ccc1Cl)C1CC1 271590860 WWHDDIARCPNBEM-UHFFFAOYSA-N 270.159 3.784 30 20 CHED C[C@@H](NCCCNc1ccccc1)c1ccc(C#N)c(F)c1 271934339 JPIFABKEGVCYRY-CQSZACIVSA-N 297.377 3.850 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(-c2cccs2)o1 543969947 BDSJBJYIGIESPJ-UHFFFAOYSA-N 273.357 3.822 30 20 CHED CC(C)C[C@@H](C)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 455984311 BXEPIMPXVBGFOI-CQSZACIVSA-N 286.419 3.678 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 455304116 BVVOFMAPEJJHSX-RDJZCZTQSA-N 286.419 3.788 30 20 CHED C=CCOCCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 451878661 NLKZRLPJQOWYPD-QGZVFWFLSA-N 299.418 3.683 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CC(C)(c2ccccc2)C1 459524239 GSQHHAGQANUVBE-BARLLCKDSA-N 285.431 3.678 30 20 CHED N#Cc1ccc(SCOCC(F)(F)F)c(Cl)c1 278667422 XOFBUWUFVCUTFN-UHFFFAOYSA-N 281.686 3.840 30 20 CHED CC(C)=CCCNC(=O)N[C@H](CCC#N)c1ccccc1 276932584 RHHSZFAZTOBGOC-MRXNPFEDSA-N 285.391 3.687 30 20 CHED C=CCC1(CNCc2ccncc2Cl)CCCC1 623541270 AQNNVZQQFNLSPP-UHFFFAOYSA-N 264.800 3.961 30 20 CHED N#Cc1cc(F)ccc1NCCCOCCc1ccccc1 462790882 VUTIOWVQBXJYFE-UHFFFAOYSA-N 298.361 3.759 30 20 CHED C=CCN(Cc1nc(-c2ccccc2)oc1C)C1CC1 271345422 CMUMCXVKXRXRSU-UHFFFAOYSA-N 268.360 3.800 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 465117065 TWWYSLVGRNQWAG-ZLIFDBKOSA-N 265.356 3.634 30 20 CHED Cc1c(Cl)cnc(N2CCCc3ccccc3C2)c1C#N 542206898 XVPGAWRCHWVMRB-UHFFFAOYSA-N 297.789 3.868 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@@H]1CC 466379012 URTFLTYVWQTILA-KKUMJFAQSA-N 266.429 3.951 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](c2ccccc2C)C1 466397275 STFRZBHMXRPEIV-CVEARBPZSA-N 286.419 3.849 30 20 CHED C=CCCCCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 556226358 HANQZVKANWMOFH-AUUYWEPGSA-N 279.449 3.773 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C#N)ccc1Cl 285567812 GKWVRJBFVZVQCX-BXUZGUMPSA-N 276.767 3.520 30 20 CHED C=CCCN(C)C(=O)CCc1ccc(C(C)(C)C)cc1 466627086 NZFVQSYFHQGWQX-UHFFFAOYSA-N 273.420 3.951 30 20 CHED N#Cc1ccc(C(=O)N2CCC(C3CCCC3)CC2)cc1 371113696 OVHLHUDQKDDFLJ-UHFFFAOYSA-N 282.387 3.601 30 20 CHED CC(C)(C)OCc1cccc(CNc2ccnc(C#N)c2)c1 287688396 DMKRQGQVGXTLDA-UHFFFAOYSA-N 295.386 3.880 30 20 CHED Cc1cccc(Oc2ccccc2C(=O)NC[C@H](C)C#N)c1 559775984 YOQKJEDHSBYBRR-CQSZACIVSA-N 294.354 3.677 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 463307644 YDZAXKYIZLHUPT-BZZMCLGOSA-N 268.404 3.995 30 20 CHED CC#CCCN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 462322585 AOBVTVPODRXNMF-HNNXBMFYSA-N 271.404 3.709 30 20 CHED COc1ccccc1SCCCC1(C#N)CCOCC1 281016117 PBZKYXQKUJBKCG-UHFFFAOYSA-N 291.416 3.888 30 20 CHED C=CCCCC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 280668226 LHHZVTKZZZVFHV-CTYIDZIISA-N 261.340 3.544 30 20 CHED C#CCCCC(=O)N(C(C)C)[C@@H](C)c1ccccc1 297645814 AVXRGJXVENWDOL-HNNXBMFYSA-N 257.377 3.788 30 20 CHED CCCC[C@@H](CC)CNC(=S)NCC(C)(C)CCC#N 806597790 MALAWIVMAANHEH-CQSZACIVSA-N 297.512 3.997 30 20 CHED C=CCCCCCN(C)C(=O)c1ccccc1NC 298006914 AQQQDQVGCLFHRL-UHFFFAOYSA-N 260.381 3.547 30 20 CHED CC(C)c1scnc1NC(=O)/C=C\c1ccccc1C#N 808273358 YIZYFROFHDXDET-FPLPWBNLSA-N 297.383 3.790 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1cc2ccccc2o1 294446611 OOFHHTUWYWTCQC-NSHDSACASA-N 257.333 3.822 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(C)c(-c2ccccc2)n1 298731701 SMOMKFNBLMQRGJ-UHFFFAOYSA-N 295.386 3.993 30 20 CHED N#CCc1ccc(NCc2ncc(C3CC3)o2)c(Cl)c1 562772188 BKJYQDACLOESPK-UHFFFAOYSA-N 287.750 3.884 30 20 CHED CC(C)(CCC#N)C/N=C\c1cc2ccccc2nc1O 806550525 LRZUJWAUPIUBQZ-ODLFYWEKSA-N 281.359 3.689 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1ccc2cc[nH]c2c1 292504741 SHTCUYRAMQGCTE-UHFFFAOYSA-N 256.349 3.733 30 20 CHED Cc1cc(OC(=O)C2(C(F)(F)F)CCC2)ccc1C#N 298007858 KUOVOBRYSGFFLD-UHFFFAOYSA-N 283.249 3.505 30 20 CHED C[C@H]1COCC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 568427592 DOHIPEWTEJWBCS-WDEREUQCSA-N 298.308 3.662 30 20 CHED C=CCC(C)(C)C(=O)NCCc1c[nH]c2cc(F)ccc12 292315679 QZEIHXIGKSLAQC-UHFFFAOYSA-N 288.366 3.568 30 20 CHED N#CC1(C(=O)NCCc2cc3ccccc3s2)CCCC1 563924908 UGVOWFPPPLVAIB-UHFFFAOYSA-N 298.411 3.644 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1ccc(C#N)cc1 806004122 FWJKWRNXLBAPPT-UHFFFAOYSA-N 299.418 3.836 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2CC)[C@@H]1SC 807963154 NTSKZPYHNLEOST-GJZGRUSLSA-N 278.421 3.557 30 20 CHED C=CC[C@H](C)N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F 565088628 IXNJHJRTECUBKB-CABZTGNLSA-N 288.269 3.752 30 20 CHED Cc1cc2cc(C(=O)/C=C/c3cn(C)cn3)oc2cc1C 800794736 OXESWKCYCJEPAZ-SNAWJCMRSA-N 280.327 3.679 30 20 CHED C=CC1CCN(c2ncc(C)c(-c3ccccc3F)n2)CC1 565528618 YKGIVKDLVNDNPS-UHFFFAOYSA-N 297.377 3.994 30 20 CHED CN(C)c1ccc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 815093652 PSTJDJAFIGNGAA-HNAYVOBHSA-N 297.446 3.624 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H](c2ccc(F)cc2)CC1 481437516 GUGFXULEDSUNBZ-CRAIPNDOSA-N 291.410 3.722 30 20 CHED CO[C@H]1C[C@H](c2ccccc2)CCC1=NNC1CCCC1 814833021 UNMBLRQMNHBHPU-QAPCUYQASA-N 286.419 3.857 30 20 CHED C=CCCCCCCCNC(=O)c1csc2cncn12 811589877 KFSKIPGENJQGRM-UHFFFAOYSA-N 291.420 3.652 30 20 CHED O=[N+]([O-])c1ccc(NN=CCC2CCCCC2)cc1 814683125 WXNIQNXPQXURIZ-UHFFFAOYSA-N 261.325 3.963 30 20 CHED Clc1cccnc1NN=C1CC[C@@H]2CNc3cccc1c32 814810801 WRKSEPFUPYPGAK-SNVBAGLBSA-N 298.777 3.854 30 20 CHED C#CCCCC(=O)N(C(C)C)[C@@H](C)c1ccsc1 817485638 NQYGFYNGQPPZMB-ZDUSSCGKSA-N 263.406 3.850 30 20 CHED CC(CCCCCCC(=O)O)=NNc1ccccc1 814684099 DFJMHMKWJNLFSH-UHFFFAOYSA-N 262.353 3.900 30 20 CHED CC(C)OC1CC(=NNc2ccccc2Cl)C1 814690839 BADWEVKSTFVTAT-UHFFFAOYSA-N 252.745 3.695 30 20 CHED Oc1cccc2c1CCC2=NNc1ccc2ccccc2n1 812377983 BZMKDRQYAAFILJ-UHFFFAOYSA-N 289.338 3.703 30 20 CHED C=CCn1c(CC2CC2)nnc1N(CC)C1CCCCC1 570486741 HLRNDGJPRZEISB-UHFFFAOYSA-N 288.439 3.576 30 20 CHED CCC(CC)NN=Cc1cc(O)cc(C(F)(F)F)c1 811644120 SFKANMITJYBFQR-UHFFFAOYSA-N 274.286 3.523 30 20 CHED CCC(=NN[C@H](C)c1ccncc1)c1ccc(N(C)C)cc1 819815575 BOQPWGXREHTACI-CQSZACIVSA-N 296.418 3.613 30 20 CHED CC(=NOC/C=C\Cl)c1nc2ccccc2n1C(F)F 811668037 JXTYLNSUOYRKJO-DSDGHTGGSA-N 299.708 3.925 30 20 CHED CC(=NNc1cccc(C)c1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814687862 WQTNXLYWHVDQTA-HIFRSBDPSA-N 288.391 3.920 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1ccsc1Cl 811665070 LAPYPZWSLHKGKV-LLVKDONJSA-N 294.807 3.793 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N[C@]2(C#N)CC2(C)C)cc1 484903767 AAADRLYFOFHOBN-LIRRHRJNSA-N 298.430 3.797 30 20 CHED COc1cccc(O)c1/C=N\CCc1cccc(Cl)c1 812396764 YTROJRWQEDLSOT-WQRHYEAKSA-N 289.762 3.716 30 20 CHED C(=NNc1nc2ccccc2s1)c1ccc2oncc2c1 814684935 KNOKVMGGUYPNSB-UHFFFAOYSA-N 294.339 3.884 30 20 CHED C[C@@H]1CCC(=NNC(=S)Nc2cccc(Cl)c2)C1 814736519 ORBUAUVWZKJDBH-SECBINFHSA-N 281.812 3.802 30 20 CHED C=CCC(C)(C)CNCc1cc(Cl)cc([N+](=O)[O-])c1O 815142806 ZVRWDVMFYQZGQY-UHFFFAOYSA-N 298.770 3.646 30 20 CHED CC[C@@H]1CN(c2c(C#N)cnc3ccc(C)cc23)CCS1 488064714 ATRPZRQRPSIDSD-CQSZACIVSA-N 297.427 3.747 30 20 CHED CN(CCC#N)c1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1 811513098 DKKDGQACUTWHGV-SFHVURJKSA-N 297.446 3.657 30 20 CHED C[C@H](CC1CCCCC1)NC[C@@H](O)c1ccc(C#N)cc1 819269199 DXAJXKCYKDBCKS-RDTXWAMCSA-N 286.419 3.540 30 20 CHED CN(C/C=C/c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 571721369 CQFHZKMLASHCGN-NSCUHMNNSA-N 298.336 3.982 30 20 CHED C=CCC1(C(=O)Nc2nc(C(C)(C)C)co2)CCC1 653925716 DEBABZDBSPMIKH-UHFFFAOYSA-N 262.353 3.657 30 20 CHED CCOCC(C)=NNc1cccc(C(F)(F)F)c1 726417936 NJTMDRKUTZXDDI-UHFFFAOYSA-N 260.259 3.530 30 20 CHED C#CCCOC(=O)/C=C/c1ccc(C(C)(C)C)cc1 727041112 AAPUARBAQWBNMX-FMIVXFBMSA-N 256.345 3.564 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](C2CCC2)C1 666432235 KAYCPNGWUPUGLL-DZGCQCFKSA-N 288.439 3.604 30 20 CHED C=CC[C@H]1CCCN(Cc2cc3cnccc3o2)C1 668492937 HVIDYCFPMKJFCX-ZDUSSCGKSA-N 256.349 3.616 30 20 CHED N#CCCCCCC(=O)N1CCc2c([nH]c3ccccc23)C1 588162464 QAZPKJLZEFTEFG-UHFFFAOYSA-N 295.386 3.527 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Cn1ccc2ccccc21 580909421 SXUQECSRYDIISG-HOCLYGCPSA-N 284.403 3.748 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 490081467 AOPIMSIOBNRPJH-KGLIPLIRSA-N 293.357 3.754 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccc2)c(C)s1 586671688 UZMXROSMUGOYMF-INIZCTEOSA-N 299.399 3.997 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)c1ccc(CC)cc1 589898564 FFOPQPZFRLQZLS-AWEZNQCLSA-N 257.377 3.553 30 20 CHED CC[C@@H](NC[C@@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 903017268 RENUEFOMKLFTSV-NVXWUHKLSA-N 286.419 3.804 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 581754146 CBOOAPVPEYGAHH-KGLIPLIRSA-N 276.428 3.602 30 20 CHED CC(C)CCN(CCC#N)C[C@]1(C)CC1(Cl)Cl 827968753 KCMSQIHOHSEAIF-LBPRGKRZSA-N 277.239 3.832 30 20 CHED CC(C)(C)Oc1ccc(NC[C@@H]2CCC=CO2)cc1C#N 824721838 JYCQQHQMWJOHOL-HNNXBMFYSA-N 286.375 3.840 30 20 CHED C=C(C)CNC(=O)C[C@H](C)c1ccc(C(C)C)cc1 490031765 JOGRIYFURRGPHG-AWEZNQCLSA-N 259.393 3.996 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H]1c1cccc(F)c1 588301712 GRTDZKVGASAFGT-INIZCTEOSA-N 288.366 3.963 30 20 CHED CC[C@H](NCC[C@@H]1CCCC[C@@H]1O)c1cccc(C#N)c1 903263239 LXAQIJNQOCYTAJ-SZMVWBNQSA-N 286.419 3.540 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ncccc2OC(C)C)no1 664993577 UPVDOSVMZAKSET-INIZCTEOSA-N 287.363 3.773 30 20 CHED C#CCC[C@H](C)OC(=O)C[C@H](C)c1ccccc1OC 839041700 XKWIGOSFEHEQJL-KBPBESRZSA-N 274.360 3.534 30 20 CHED CC[C@H](NCC[C@H](O)C1CCCC1)c1cccc(C#N)c1 903084561 FLJLMPLSZGPJNY-ROUUACIJSA-N 286.419 3.540 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(F)cc1Br 903102349 WPBFVXWHZMJVPL-VIFPVBQESA-N 297.171 3.543 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 837102465 SAHLANNVPATLEQ-QGZVFWFLSA-N 287.378 3.991 30 20 CHED CCC[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccn1 839063871 UGJGDDUQKXLUNQ-KKUMJFAQSA-N 286.375 3.591 30 20 CHED CCO[C@@H](c1noc(-c2ccc(C)c(C#N)c2)n1)C(C)C 904123500 QRPUKZIFIIHGRT-CQSZACIVSA-N 285.347 3.650 30 20 CHED CCOCOc1cnccc1-c1ccccc1C1(C#N)CC1 904881074 CHLOJOWZHHRNMU-UHFFFAOYSA-N 294.354 3.677 30 20 CHED O=C(C#CC1CC1)Nc1ccccc1SCC(F)(F)F 837326859 NEFORJDDBJQTKV-UHFFFAOYSA-N 299.317 3.693 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccc(C)c1C)CO2 731156742 KRMHNISVTRMPMJ-DHDCSXOGSA-N 294.350 3.971 30 20 CHED Cc1cc(NN=Cc2ccccc2-c2ccccc2)ncn1 731934974 MJORRMYPWQTNQM-UHFFFAOYSA-N 288.354 3.898 30 20 CHED C=CCC1(C(=O)OCc2nnc(CC)s2)CCCCC1 838153948 OXPJSMXAWHNKAK-UHFFFAOYSA-N 294.420 3.670 30 20 CHED C=CCCCCNC(=O)NCC[C@]1(C)CC1(Cl)Cl 836401547 DRDXMMRYZXPYIK-GFCCVEGCSA-N 293.238 3.616 30 20 CHED C#CCOc1ccc(CN[C@@H](C)Cc2ccc(F)cc2)cc1 733325126 ZOZZELYWUVDJGD-HNNXBMFYSA-N 297.373 3.559 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)Cc1ccccc1Cl 735095485 USZLZZLDWSDRFB-RYUDHWBXSA-N 280.799 3.535 30 20 CHED C[C@H](Nc1ccc(NC(=O)O)cc1)c1cccc(C#N)c1 833524363 FCGQXEJZAUAWAQ-NSHDSACASA-N 281.315 3.821 30 20 CHED CC(C)(C)C#CC(=O)N(C1CC1)[C@H]1CCc2ccccc21 837373073 FPXCLUKXPMGBDU-KRWDZBQOSA-N 281.399 3.714 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)C1CCCC1 733076741 XEMPJWZIEUEMFE-UHFFFAOYSA-N 261.325 3.881 30 20 CHED C=CCOc1ccc(C(=O)Oc2ccccc2OCC)cc1 914110043 ZIPIBWQDXOIGBM-UHFFFAOYSA-N 298.338 3.869 30 20 CHED CC(C)N(CCC#N)C(=O)CCC1CCCCCC1 594257905 RJVNHCVCACGEKQ-UHFFFAOYSA-N 264.413 3.888 30 20 CHED FC(F)(F)c1ccccc1NN=Cc1ccncc1 916259409 FHIJQBZFYSPDRH-UHFFFAOYSA-N 265.238 3.546 30 20 CHED Cc1cc(C#N)ccc1CSCCOCC1CCC1 591411790 RVVZRQPRAODWNF-UHFFFAOYSA-N 275.417 3.917 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CC1(Cl)Cl 746650540 AKKWFQBRQZUGQX-CQSZACIVSA-N 297.229 3.962 30 20 CHED C=CC[C@@H]1N(C(=O)C(F)(F)CC)CCCC1(C)C 834548087 MZLZJGKCGUMEMX-NSHDSACASA-N 259.340 3.625 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2ccc(C(F)F)cc2F)C1 597900802 DRFNWJJVIROUCZ-JTQLQIEISA-N 296.292 3.529 30 20 CHED C[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccco1 744101885 MCRMRJXMMRUNMK-NWDGAFQWSA-N 269.300 3.559 30 20 CHED CSc1cc(Cl)ccc1NC(=O)NCCCCC#N 596978077 WTPREKKFZCFPJJ-UHFFFAOYSA-N 297.811 3.877 30 20 CHED CC(C)Oc1ccc(C=Nn2cnc3ccccc32)cc1 915957094 MPDRFQATRZGNGJ-UHFFFAOYSA-N 279.343 3.706 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1CCOC2(CCCCC2)C1 596166664 XNWPLKKWCGLQRV-CQSZACIVSA-N 285.391 3.556 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC1(CC#N)CC1 596272723 FBQBQZBOWHXHAF-UHFFFAOYSA-N 271.360 3.805 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@H](C)SC 917871142 LAMSMNKVEPICCR-CHWSQXEVSA-N 259.459 3.851 30 20 CHED C=CCOCSc1ccc(OC)c(Br)c1 919615438 DIJDZVPZTHXFTO-UHFFFAOYSA-N 289.194 3.710 30 20 CHED N#CC1(C(=O)OCCCc2ccc(Cl)cc2)CCC1 740986004 DMGIQBJYBYDDKD-UHFFFAOYSA-N 277.751 3.510 30 20 CHED C=CCCCC(=O)OCc1csc(-c2ccco2)n1 748235277 ZZFLHTDPLSTLEG-UHFFFAOYSA-N 277.345 3.803 30 20 CHED C[C@H]1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1(C)C 594339108 CTBBXFCYXSMOCO-CABCVRRESA-N 298.430 3.631 30 20 CHED CCCCC[C@@H](NC(=O)[C@H](C#N)CC)c1ccccc1 845423957 FSJDPNYPUPTTFI-GOEBONIOSA-N 272.392 3.974 30 20 CHED CC(=NNc1ccccn1)c1ccc(F)c(Cl)c1 915943567 HTITXHTWKJQXOR-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CCCC(C)(C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 593176499 KHOAZTRPDRRDQA-ZDUSSCGKSA-N 272.392 3.904 30 20 CHED FC1(F)CCC(=NNCCCOc2ccccc2)CC1 842528615 VNKXTHYOZMFHTB-UHFFFAOYSA-N 282.334 3.610 30 20 CHED O=C1/C(=C/c2nccc3ccccc23)Cc2c(O)cccc21 740764913 KIFDSLAATFVMBK-ACCUITESSA-N 287.318 3.763 30 20 CHED Cc1ccc(-c2ccc([C@@H]3NC(=O)C3(C)C)cc2)c(C#N)c1 596631433 RJBQMZJBBUIIFU-KRWDZBQOSA-N 290.366 3.731 30 20 CHED CCOCc1ccccc1C/N=C\c1c(O)cccc1OC 914599637 JMKCIQKHKDMGCM-UNOMPAQXSA-N 299.370 3.556 30 20 CHED CC(C)CN(C(=O)/C=C/c1ccco1)c1ccc(C#N)cc1 914510657 RYPCHVVWXWFYDY-MDZDMXLPSA-N 294.354 3.854 30 20 CHED C#CCOc1ccc(NC(=O)[C@H](C)c2cccc(F)c2)cc1 741924493 GPZDFPCJOPLDAC-CYBMUJFWSA-N 297.329 3.580 30 20 CHED C[C@H]1CC[C@@H](C)C(=NNc2ccc(CC(=O)O)cc2)C1 848413901 FAFKJXYGTDXYCK-NWDGAFQWSA-N 274.364 3.538 30 20 CHED Cc1cnc(CON=Cc2cccc(Cl)c2Cl)o1 742350886 MXSZBTBQUGAIHR-UHFFFAOYSA-N 285.130 3.841 30 20 CHED CSCC1(CCN[C@H](C)c2ccc(C#N)cc2F)CC1 595067461 IVHBXWKNHNYNCV-GFCCVEGCSA-N 292.423 3.881 30 20 CHED N#CC1(CC(=O)N2CCCc3cccc(O)c32)CCCCC1 597457459 PWEOWLPEDZFBLT-UHFFFAOYSA-N 298.386 3.536 30 20 CHED C=CCCC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 841353562 JXVXEXFPGMHSIH-UHFFFAOYSA-N 278.661 3.659 30 20 CHED CCCC(=NN[C@H]1CCOC(C)(C)C1)[C@H]1CC1(C)C 841632835 HFQQEUPEDWMROE-QWHCGFSZSA-N 266.429 3.736 30 20 CHED Cc1ccc2c(CCN[C@H](C)CC(C)(C)C#N)c[nH]c2c1 924886042 RDDXXAGEZIKJLV-CQSZACIVSA-N 283.419 3.937 30 20 CHED CCC(C#N)(CC)c1nc([C@@H]2CCOc3ccccc32)no1 858689689 HZRHMQYDATZDRU-CYBMUJFWSA-N 297.358 3.565 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cn(C)c2ccccc12 851211696 BZGUTPGVFWTMBO-GFCCVEGCSA-N 284.359 3.663 30 20 CHED CO[C@@H]1C[C@H](/N=C\c2c(O)ccc3ccccc23)C1(C)C 753138863 PSVOLMJWJVTBHR-WCEVWIROSA-N 283.371 3.778 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)cc2O)cc1F 757476322 PTGIDXFTKZQHFA-QPJJXVBHSA-N 286.302 3.744 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCOC2(CCCCC2)C1 925563454 UKRJYDDFNFLUOF-LSDHHAIUSA-N 278.440 3.786 30 20 CHED C#CCCCC(=O)N1CCCCc2c(Cl)cccc21 759142288 ZEMUQGQKVLDAAX-UHFFFAOYSA-N 275.779 3.813 30 20 CHED FC(F)CON=C1CCSc2c(Cl)cccc21 758906599 JNHNDSLCEXWOIW-UHFFFAOYSA-N 277.723 3.822 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)c1nc(C)no1 750735022 AHLYXBFEPVLKMA-GFCCVEGCSA-N 281.400 3.696 30 20 CHED C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(C#N)cc1 921515437 DKRVCCKRUKUWSR-CQSZACIVSA-N 292.382 3.734 30 20 CHED Oc1cccc(C=NOc2ccccc2C(F)(F)F)c1O 754708678 AUMXTIDXXHMSGL-UHFFFAOYSA-N 297.232 3.530 30 20 CHED C=CCC[C@H](NCc1ccc(Cl)cc1Cl)C(=O)O 756384378 CDWYIHPJAVZUEP-LBPRGKRZSA-N 288.174 3.502 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CC23CCC3)n1 759852278 XEUGBXCKXXALTF-QWRGUYRKSA-N 274.389 3.633 30 20 CHED Cc1ccc2cc(C=NN3CCCC[C@@H]3C)ccc2n1 853380570 UNJBYRNWMSIGCY-AWEZNQCLSA-N 267.376 3.752 30 20 CHED CO[C@@H](C#N)c1ccc(-c2ccc(F)c(CN(C)C)c2)cc1 854197526 MIFNJYLUGKWUIY-SFHVURJKSA-N 298.361 3.765 30 20 CHED CCSc1ccc(C(=O)/C=C\c2csnn2)cc1 755605131 VZCTVRJCPRXAQQ-YVMONPNESA-N 276.386 3.546 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NOCc1ccccc1 755633469 UXPOKHZODUZZEO-UHFFFAOYSA-N 285.391 3.806 30 20 CHED C#C[C@@H](CC)NC(=O)N(C)Cc1cccc(Cl)c1Cl 753260297 IXHURTDMUVPNFL-NSHDSACASA-N 299.201 3.547 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C/c2ccsc2)C1 855441302 ZKGZZYJPEFFTMZ-KTRBRXNASA-N 261.390 3.576 30 20 CHED CCc1ccc(C=NNc2ccc(OC)cc2)cc1 750946245 NPVIDWRGIDONIQ-UHFFFAOYSA-N 254.333 3.704 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)c1nc2ccccc2n1CC 932206855 POGHDIWFKCMYID-ZIAGYGMSSA-N 299.418 3.836 30 20 CHED Fc1cccc(F)c1C=NNCc1ccc(Cl)cc1 764717716 ZQZFEJMEYYRASB-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C#CCOc1ccccc1OCc1ccn(C2CCCC2)n1 763188748 VXMHDPYZBRPSLW-UHFFFAOYSA-N 296.370 3.589 30 20 CHED OC1CCC(=NNc2nc(-c3ccccc3)cs2)CC1 761778562 VMHJBVNLAUDPER-UHFFFAOYSA-N 287.388 3.513 30 20 CHED Fc1ccccc1CCNN=C1CCC[C@H](C2CC2)C1 764722794 MBZLWAZKMRRQGM-HNNXBMFYSA-N 274.383 3.914 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C/c2ccnn2C)cc1 863197180 KOIREYLQYZFWIT-WTNCMQEWSA-N 268.360 3.830 30 20 CHED C#C[C@@H](CC)OC(=O)c1nc(C)sc1-c1ccccc1 768040858 HNYLPDVTXYZVPR-ZDUSSCGKSA-N 285.368 3.687 30 20 CHED FC(F)(F)CNN=Cc1ccc(-c2ccccc2)cc1 769822618 VVOFPVSEQOGXSZ-UHFFFAOYSA-N 278.277 3.839 30 20 CHED CC(C)Oc1ccc(C(=O)Oc2ccc(C#N)cc2F)cc1 769736401 BAULFBCGTJUWRB-UHFFFAOYSA-N 299.301 3.704 30 20 CHED Cn1nccc1/C=C1\CCc2c(sc3ccccc23)C1=O 763102656 ZMIMFGIJRDJWDR-ZHACJKMWSA-N 294.379 3.847 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C)Cc2ccco2)cc1 764773987 LJZBIZCSXHLJKJ-CABCVRRESA-N 283.371 3.573 30 20 CHED N#CC1(CSc2nnc(-c3ccccc3)s2)CC1 1116500848 RDYONIATTPHJER-UHFFFAOYSA-N 273.386 3.601 30 20 CHED C[C@@H]1CCC[C@@H](COC(=O)c2ccccc2OCC#N)C1 770962857 WJKUVHAFOINRBF-ZIAGYGMSSA-N 287.359 3.572 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NN1CCc2ccccc2C1=O 773208822 QFUXFFGZTZZENU-YOEHRIQHSA-N 282.387 3.663 30 20 CHED COc1ccc(-c2ccncc2)cc1C=NOCC(C)C 774395038 QGHIJMWUNZUAPN-UHFFFAOYSA-N 284.359 3.764 30 20 CHED CC(C)C#CC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 1118729976 UVRKCFDJJPQFPV-MJGOQNOKSA-N 281.399 3.574 30 20 CHED Cc1ccc([C@H](C)NCc2cc(C#N)ccc2F)c(C)n1 773030107 KHJPOELHVVDEQO-LBPRGKRZSA-N 283.350 3.560 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)c1cccc(CC#N)n1 1116661648 IGTTZPFGYSWXPO-NSHDSACASA-N 287.313 3.623 30 20 CHED C#CCCCCCC(=O)NCC[C@H]1CCCC[C@@H]1C 779914516 PCSPSOBCKLRNKB-JKSUJKDBSA-N 263.425 3.903 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ccn(C)n1)CCCO2 1116744496 RCEDCLABPCGABX-UHFFFAOYSA-N 298.390 3.532 30 20 CHED C=C(C)CCOC(=O)c1cc(C)nn1C(CC)CC 776095107 WSJDZRADULGZPS-UHFFFAOYSA-N 264.369 3.676 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCO[C@@H](C)C1 770231206 XWYBAYNSXCWCAP-LSDHHAIUSA-N 269.429 3.811 30 20 CHED C=C(CC)Cn1cc(-c2csc(C3CCC3)n2)nn1 887494664 NFIRTEJPHVAVKM-UHFFFAOYSA-N 274.393 3.635 30 20 CHED Cc1cccc(OCCC/N=C/c2cccc(O)c2O)c1C 775739526 GHVYMDMOYBXXLN-XDHOZWIPSA-N 299.370 3.603 30 20 CHED N#Cc1ccc(C2CCN(C(=O)CCC3CCC3)CC2)cc1 887703229 JSLXWJMDORXTEK-UHFFFAOYSA-N 296.414 3.845 30 20 CHED c1ccc2c(c1)C(=NOC1CCOCC1)c1ccccc1-2 774459532 SQUMBSNYNKNAQD-UHFFFAOYSA-N 279.339 3.615 30 20 CHED N#Cc1ccc(CON=Cc2cccc(F)c2)c(Cl)c1 783984287 HYXTZSJHQQGYEP-UHFFFAOYSA-N 288.709 3.901 30 20 CHED C=C1CCC(C(=O)NCc2coc(-c3ccccc3)n2)CC1 889195019 PVABGPHFYHMUDL-UHFFFAOYSA-N 296.370 3.704 30 20 CHED C#CCCCCNC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 782595667 ZUOHKAZNBAFPQA-ZWKOTPCHSA-N 298.430 3.501 30 20 CHED COc1ccc(C=NOc2ccccc2C(F)(F)F)cn1 780236590 OAHDSJDHCXRPBV-UHFFFAOYSA-N 296.248 3.522 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cccc2[nH]ccc12 782286941 HVRJKSNBWMJOQW-OAHLLOKOSA-N 255.365 3.670 30 20 CHED C#Cc1cccc(N[C@H](CCOC)Cc2cccc(F)c2)c1 784659402 VMSPDVQUOMUCBH-LJQANCHMSA-N 297.373 3.867 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@H](C(C)(C)C)C1)c1ccccc1 784396834 IQYBYASOHMCESW-DLBZAZTESA-N 298.430 3.829 30 20 CHED C=C1CC(c2noc(CCn3ccc4ccccc43)n2)C1 896890954 ZQEQZIFMXOYILQ-UHFFFAOYSA-N 279.343 3.701 30 20 CHED C=CCCCCCOC(=O)c1cccnc1C1CC1 784669688 YHDLXFRRHSHQGJ-UHFFFAOYSA-N 259.349 3.862 30 20 CHED CCN(CCC#N)Cc1c(C)nn(-c2ccccc2C)c1C 893923187 KNZJVQJHYRKVNO-UHFFFAOYSA-N 296.418 3.533 30 20 CHED C#CCCCCCC(=O)O[C@@H](C)c1ccc(Cl)cn1 781601848 DVGFTDNLUDTSSF-LBPRGKRZSA-N 279.767 3.923 30 20 CHED Cc1cc(NC(=O)[C@@H](C)CCC(C)(C)C)ncc1C#N 1130503948 LLXQOWUFJGHZLW-NSHDSACASA-N 273.380 3.663 30 20 CHED CCCNc1ccc(C#N)cc1NCc1ncc(C)s1 795267468 YRNIJUXPGCDDKI-UHFFFAOYSA-N 286.404 3.757 30 20 CHED Cn1cc(/C=C/C(=O)c2csc(Cl)c2)c(C2CC2)n1 899369374 WNMRRQNXNIJEJN-SNAWJCMRSA-N 292.791 3.909 30 20 CHED CC(=C/c1ccccc1)/C=C1\CCc2nn(C)cc2C1=O 794962805 XWZIBBJHDLHKPF-KXIMDHCPSA-N 278.355 3.579 30 20 CHED C[C@@]1(C=NNc2nccc3sccc23)CCCS1 792977728 NEYRTPPQRTXVDR-ZDUSSCGKSA-N 277.418 3.980 30 20 CHED N#C[C@@H]1CCCN(CCCc2ccc(Cl)cc2)C1 1207596141 PJVNAAXVLIFFMG-AWEZNQCLSA-N 262.784 3.508 30 20 CHED C/C=C\COC(=O)c1sc2ccc(C#N)cc2c1C 796626626 UYZVRVLPKQBREH-ARJAWSKDSA-N 271.341 3.814 30 20 CHED O=C(/C=C/c1ccc(Cl)c(F)c1)c1ccnc(F)c1 794718698 DTXOPRVQZTURPC-DUXPYHPUSA-N 279.673 3.909 30 20 CHED CC(C)(C)SCCCC(=O)N(C1CC1)C1(C#N)CCC1 790002441 KDFRBBXEAQOAOI-UHFFFAOYSA-N 294.464 3.736 30 20 CHED C#C[C@@H](CCC)NC(=O)CCC(C)(C)c1ccccc1 791205106 ODBZHHQLKXNFHF-INIZCTEOSA-N 271.404 3.663 30 20 CHED C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccncc1 795980804 KYETVCFNLIAGRT-PBHICJAKSA-N 294.354 3.773 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2cccc(Cl)n2)C1 793175222 RXMVGVVKQLLLEG-WDEREUQCSA-N 251.761 3.959 30 20 CHED CN(C)c1ccccc1CNN=C1CCC12CCCC2 794951878 JHESYKFBERPEMG-UHFFFAOYSA-N 271.408 3.552 30 20 CHED CC(C)C1CCC(C=NNCCOCC(F)(F)F)CC1 794924268 XEROFGIGHIEWFN-UHFFFAOYSA-N 294.361 3.603 30 20 CHED O=C1c2ccccc2CN1N=C/C=C/c1ccc(F)c(F)c1 794928125 BJOHQNCTICWJTM-PQXRUWMISA-N 298.292 3.620 30 20 CHED Cc1ccc2[nH]cc(C=NNc3ncccc3C)c2c1 790193195 XSZHBNMBVMEZTA-UHFFFAOYSA-N 264.332 3.626 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(C)c(C#N)c1)C1CC1 799333282 ODVMKULQLLJUBZ-TZMCWYRMSA-N 284.403 3.906 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(Br)cn1 793158050 DBGGBWZINKNJKM-SECBINFHSA-N 285.185 3.631 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)oc1C 799897322 NZPIRWVMBVSMDB-YVMONPNESA-N 271.272 3.701 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CC1(C)C 1219031171 ZOEVBQSPSVKZDN-OCCSQVGLSA-N 289.354 3.644 30 20 CHED CCN(Cc1ccc(Cl)cc1C)C[C@H](C)C#N 136165612 IVYCACSMOGDTIL-LLVKDONJSA-N 250.773 3.630 30 20 CHED N#Cc1ccsc1NC(=O)c1cccc(C(F)F)c1 171518907 NKDJAWQRLOZRCJ-UHFFFAOYSA-N 278.283 3.810 30 20 CHED C#CCOc1cccc(NC(=O)CCC2CCCC2)c1 730978397 PWIXTJSXALTDLK-UHFFFAOYSA-N 271.360 3.608 30 20 CHED N#Cc1cccc(C#N)c1NCCC[C@@H]1CC1(Cl)Cl 1329645932 DUJALZDVXJKQEG-GFCCVEGCSA-N 294.185 3.816 30 20 CHED C#C[C@H](NC(=O)C(F)(F)c1ccc(Cl)cc1)C(C)(C)C 1323588315 NEXQZKPWSVEPEB-LBPRGKRZSA-N 299.748 3.596 30 20 CHED C[C@H](Oc1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1326305621 KLZFIWFTSXWRRU-LBPRGKRZSA-N 291.310 3.748 30 20 CHED CC[C@@H](COc1cc(C#N)ccc1C)CC(F)F 594890981 GKHJEPUSRGLWCX-LLVKDONJSA-N 253.292 3.927 30 20 CHED C=CC[C@@H](N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)O 1331952317 XXVPVWCOVZVOCA-UKKRHICBSA-N 299.823 3.512 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc2ncccc2c1 1338407417 SDIWJXWWJZRZLD-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C#Cc1cccc(NCc2ccc(Cl)cc2OC)c1 795051486 RSQACTGOIJXGFM-UHFFFAOYSA-N 271.747 3.942 30 20 CHED Cc1cc(C#N)nc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 1334140446 JYHICKNXVPNQIN-WMZOPIPTSA-N 293.370 3.594 30 20 CHED CCOc1cccc(NC(=O)[C@H](CC#N)c2ccccc2)c1 1264703286 KQYGPPBMBNPCNO-QGZVFWFLSA-N 294.354 3.721 30 20 CHED CCc1ccc2occ(C(=O)O[C@@H]3CC[C@H](C#N)C3)c2c1 1343365055 CWZFJZQIKOVASG-QWHCGFSZSA-N 283.327 3.844 30 20 CHED C=CC(C)(C)CC(=O)O[C@H](c1ncccn1)C1CCCC1 1347261049 OJRIRVCDUKPXQA-HNNXBMFYSA-N 288.391 3.853 30 20 CHED N#Cc1ccc(OCc2nnc(C3CC4(CCC4)C3)o2)cc1 1349955819 BJVXVPMPMNJFNB-UHFFFAOYSA-N 295.342 3.568 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCC2 1437638306 INQSUDZWWRWERW-UHFFFAOYSA-N 296.757 3.953 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1ccc(F)cc1F 1514860805 ZRNPOQWTCARIJF-HNNXBMFYSA-N 293.357 3.855 30 20 CHED C=C1CCC(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)CC1 1514928761 HGUDREYQSJNSBZ-CYBMUJFWSA-N 286.400 3.943 30 20 CHED N#CCc1ccccc1C(=O)N1CCc2ccc(Cl)cc21 1445371474 MCTFWMHWLWMCOH-UHFFFAOYSA-N 296.757 3.609 30 20 CHED C[C@H]1CCC[C@H](C)N(CCc2ccc(C#N)cc2)C1 1459503849 AYMWTCPHQDYPDV-GJZGRUSLSA-N 256.393 3.611 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C(F)F)n1CC(C)C 1525001093 KQZFNMIWGFXXOS-LBPRGKRZSA-N 298.381 3.807 30 20 CHED CC(C)(CC#N)COC(=O)c1ccc(F)c2occc12 1525295036 SPYUZUWBZYLMMA-UHFFFAOYSA-N 275.279 3.669 30 20 CHED C=C(CC)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1520914466 YQIXBUQZLQQHJU-IRXDYDNUSA-N 287.403 3.579 30 20 CHED N#CC1(c2ccc(CNc3cccc(C(=O)O)c3)cc2)CC1 1608177152 MHOUFLNEBPHDGT-UHFFFAOYSA-N 292.338 3.552 30 20 CHED CC(C)(C)c1ccc(Nc2ncccc2C#N)cc1 21501447 IXYIWUQXIBIMOV-UHFFFAOYSA-N 251.333 3.994 30 20 CHED CCC(CC)CN(CC)C(=O)Nc1cc(C#N)ccc1F 1625454783 FDCAWOZLECJIHC-UHFFFAOYSA-N 291.370 3.987 30 20 CHED CC(C)C[C@]1(C)CCCN1CCOc1cccc(C#N)c1 1559854891 MGWJOMWFEUBBFQ-SFHVURJKSA-N 286.419 3.838 30 20 CHED CC[C@@H](C)CN(C)c1c(Br)cccc1C#N 1611983702 UZGVUVRJLXWOGC-SNVBAGLBSA-N 281.197 3.803 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1C 1562450364 MJUXKICRVTXDFQ-LSDHHAIUSA-N 285.391 3.815 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C(=O)O)c1ccccc1 1588831644 GINDSOSNTQLVSU-KRWDZBQOSA-N 299.345 3.640 30 20 CHED CC[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H]1C 1585515924 JGNMKBDSXXBOBG-UXLLHSPISA-N 284.403 3.721 30 20 CHED CCCC[C@H](C)NCc1cn(C)nc1-c1ccc(C#N)cc1 1657745147 RAFWLNFCHTXZSH-AWEZNQCLSA-N 296.418 3.627 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc2cc(C(=O)O)oc2c1 1588672852 AELYOLBFENFLCN-UHFFFAOYSA-N 288.299 3.639 30 20 CHED C=C[C@H](SCc1ccc(C(C)C)cc1)C(=O)O 1588714830 OPGAAPFGOKLREK-ZDUSSCGKSA-N 250.363 3.682 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C2CCCCCCC2)C1 1584703761 XRQRRQLIRYIBJC-HIFRSBDPSA-N 263.381 3.972 30 20 CHED CC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CC1(C)C 1677508069 BNONLSNXAFTLLJ-MAZHCROVSA-N 299.418 3.743 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ccc(C(=O)O)nc2)cc1C 1776133475 XSBZTLUKDRFUQS-FNORWQNLSA-N 295.338 3.601 30 20 CHED O=C(O)c1ccc2scc(C=NOCCC3CC3)c2c1 1776068694 TWTTVPXYZCJJRL-UHFFFAOYSA-N 289.356 3.750 30 20 CHED CCCC(CCC)=NNc1ccc(C(=O)O)c(F)c1 1776073111 CPYQLRXXAFKORP-UHFFFAOYSA-N 266.316 3.892 30 20 CHED N#Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 15574291 PPJWZAUKLXPQBO-UHFFFAOYSA-N 276.339 3.689 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1cc(F)ccc1F 120215134 LWMXDGNYMYABCO-WDEREUQCSA-N 284.302 3.550 30 20 CHED CC1(C)CN(Cc2ccc(Cl)cc2C#N)CCS1 187144052 IDVKLPSLXVSOIC-UHFFFAOYSA-N 280.824 3.539 30 20 CHED CCN(C(=O)[C@H](C)c1cccs1)c1ccc(C#N)cc1 151935371 JUQCXNIVZCAQFK-GFCCVEGCSA-N 284.384 3.776 30 20 CHED CCn1nccc1/C=C/C(=O)c1cc(C)c(F)c(C)c1 152659616 SPXFKLASWYLPFO-AATRIKPKSA-N 272.323 3.555 30 20 CHED Cc1ccc(CNc2cccc(OCCCC#N)c2)cn1 155514868 WKQCZDCSCACVEH-UHFFFAOYSA-N 281.359 3.685 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@@H](CC)C1 155959446 YAFPOQOHZUJRJF-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 156948990 ORXNUQMQHVWFEE-IUODEOHRSA-N 276.767 3.611 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1[N+](=O)[O-] 208304822 LFKUHMIOYQLLPN-VURMDHGXSA-N 292.294 3.671 30 20 CHED CC(C)CN(c1nc(C(C)(C)C)ccc1C#N)C1CC1 1650616157 GRLKIUQLZLLVAM-UHFFFAOYSA-N 271.408 3.876 30 20 CHED Cc1ccccc1CN(C)c1ccc(F)cc1C#N 111036109 RMLGNJMHQWPBGA-UHFFFAOYSA-N 254.308 3.642 30 20 CHED N#Cc1c(F)cccc1OC[C@H]1CCC2(CCCC2)O1 229497945 DARSIKNZLNTDJF-GFCCVEGCSA-N 275.323 3.568 30 20 CHED C[C@H](CC(F)(F)F)Nc1c(F)cc(C#N)cc1F 231749463 MJMZPPMNHVMJBC-ZCFIWIBFSA-N 264.197 3.589 30 20 CHED C[C@@H](Nc1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 37298398 JDRQUZJNVJGYRR-LLVKDONJSA-N 267.288 3.640 30 20 CHED N#Cc1cccc(CCNC(C2CCC2)C2CCC2)c1 569477107 VPMWSXVFVMPIJX-UHFFFAOYSA-N 268.404 3.659 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(C)=O)cc1 181041577 DENBYCXEMSXRSP-GFCCVEGCSA-N 274.364 3.756 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc2cc(F)ccc2s1 193483779 IKOJPHPRWKSCPZ-JTQLQIEISA-N 290.363 3.662 30 20 CHED CC(C)(CNCc1ccc(C#N)c(F)c1)c1cccs1 404185422 BVCPKDNAORJYOM-UHFFFAOYSA-N 288.391 3.826 30 20 CHED COc1ccc2nc(SCC3(C#N)CCCC3)[nH]c2c1 405169333 XMANTHYGFASCJT-UHFFFAOYSA-N 287.388 3.748 30 20 CHED CC(C)[C@@H]1CN(CCCCC(C)(C)C#N)CCS1 409445544 NFNFOFHNXUTHBR-AWEZNQCLSA-N 268.470 3.780 30 20 CHED CCn1nc(C)c(CNc2ccc(Cl)cc2C#N)c1C 520488573 NZZDSEPTOIVPAV-UHFFFAOYSA-N 288.782 3.657 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cc1 320276781 MUDSXAUUEZVXBO-RISCZKNCSA-N 287.325 3.683 30 20 CHED CC1(C)CC(C(=O)Nc2ccc(Cl)cc2C#N)C1 701501268 BFQBDEJVJGSECV-UHFFFAOYSA-N 262.740 3.586 30 20 CHED CCN(Cc1ccc(C)cc1)c1ccc(C#N)c(C)n1 562330662 NOPKEGBQDZSRQH-UHFFFAOYSA-N 265.360 3.597 30 20 CHED C[C@@H]1CCc2c(C(=O)NCC(C)(C)CC#N)csc2C1 457985202 FNLOJTYFXZDYFH-LLVKDONJSA-N 290.432 3.543 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H]1CCCCO1 470910947 NEWQTKROGDDHQJ-QGZVFWFLSA-N 259.393 3.634 30 20 CHED C=C(C)CN(CC)Cc1c(Cl)cccc1[N+](=O)[O-] 494195975 SXXJSPLVOGXEBS-UHFFFAOYSA-N 268.744 3.646 30 20 CHED N#Cc1ccc(OC[C@H]2CCCC2(F)F)c(F)c1 394443016 LOAKSXDLDWNWGQ-SNVBAGLBSA-N 255.239 3.512 30 20 CHED CC[C@H](CC(C)C)C(=O)N1CCC(CCC#N)CC1 399449842 LCHQGTZCKJOMQD-OAHLLOKOSA-N 264.413 3.601 30 20 CHED CC1(F)CCN(c2ccc(C#N)c(Br)c2)CC1 1307177109 OAFDQPICOVBBAN-UHFFFAOYSA-N 297.171 3.649 30 20 CHED N#Cc1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 1351937072 OGDCVGOXFIQYGG-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#CCc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 14527569 SJWRGDABPZTAMR-UHFFFAOYSA-N 294.398 3.908 30 20 CHED COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 25438127 SGAGZDNTZQNYKH-UHFFFAOYSA-N 294.354 3.749 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)cc1 32417505 NAEQGMQDPURAJC-JKSUJKDBSA-N 284.403 3.893 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H](C)CCC)cc1OC 41474780 NABJVPUPFHUYSW-CYBMUJFWSA-N 291.391 3.521 30 20 CHED Cc1c(C(=O)N(C)C[C@@H](C)C#N)oc2ccc(Cl)cc12 48578716 ZPYHHEVDPJSDOJ-VIFPVBQESA-N 290.750 3.626 30 20 CHED Cc1ccccc1C(=O)Nc1ccc(Cl)c(C#N)c1 48824366 ZNRQLEUKHKHKPF-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC(C)CCC(=O)Nc1cccc(OCCCC#N)c1 55569684 PSVSWQMSZZFMRP-UHFFFAOYSA-N 274.364 3.744 30 20 CHED Cc1ccccc1C(C)(C)C(=O)Nc1ccc(CC#N)cc1 58637602 UMGOUAAWTCPURL-UHFFFAOYSA-N 292.382 3.977 30 20 CHED COc1ccc(Cl)cc1CN(C)c1ccc(C#N)cc1 59514928 MXXBMKVHGBUMDW-UHFFFAOYSA-N 286.762 3.857 30 20 CHED CCN(C[C@@H]1CCCCO1)[C@H](C)c1ccc(C#N)cc1 60477590 JDNMMSQBBVHWRL-PBHICJAKSA-N 272.392 3.510 30 20 CHED C=CCN(Cc1ccc(F)cc1)Cc1cccc(C#N)c1 63299838 JRQZQMOTOSCAAA-UHFFFAOYSA-N 280.346 3.886 30 20 CHED CC(C)c1cc(C(=O)N(C)C[C@H](C)C#N)c2ccccc2n1 67677937 WRQYKUQCMVYBOF-CYBMUJFWSA-N 295.386 3.590 30 20 CHED CC(C)C[C@H](C)CC(=O)N(C)Cc1cccc(C#N)c1 67800766 IGRVUSDLGGGGJA-AWEZNQCLSA-N 272.392 3.589 30 20 CHED N#CCCN(CCC#N)CCSc1ccc(Cl)cc1 72947794 VOXVLPUQOFOHFM-UHFFFAOYSA-N 293.823 3.561 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC[C@@H]1CC[C@H](C)O1 75198589 XAKAWPNALQNULW-HOCLYGCPSA-N 294.439 3.513 30 20 CHED CCn1c(COc2ccc(C#N)cc2)nc2c(F)cccc21 77564783 WUQBFJOZFCVCDG-UHFFFAOYSA-N 295.317 3.646 30 20 CHED N#CCN(Cc1ccc(F)cc1Cl)C1CCCC1 78003511 RZUCSDQBVJFZJZ-UHFFFAOYSA-N 266.747 3.747 30 20 CHED C=CCn1c(SCCCC#N)nnc1-c1cccc(C)c1 78434970 YGTBTLLDKFLLOF-UHFFFAOYSA-N 298.415 3.835 30 20 CHED Cc1ccc(F)c(C(=O)OC[C@H](C#N)Cc2ccccc2)c1 79219416 JFQQQEMDXBUYIA-HNNXBMFYSA-N 297.329 3.673 30 20 CHED CCN(CCC#N)Cc1csc(-c2ccsc2)n1 81040977 MUSIXGBMZFEERZ-UHFFFAOYSA-N 277.418 3.607 30 20 CHED C[C@H](Nc1ccc(OC(F)F)cn1)c1ccc(C#N)cc1 94135040 HRLOYYZEQXDODY-JTQLQIEISA-N 289.285 3.728 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 98029808 KLUGVFWPCYVJOV-OKILXGFUSA-N 288.391 3.761 30 20 CHED CCCCCCCN1CCC[C@@H](CCC(=O)O)C1 106353481 SHSCONORCNRDTJ-AWEZNQCLSA-N 255.402 3.534 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C)c(F)c1 106422471 GTCKBQKVKJMGNJ-UHFFFAOYSA-N 276.355 3.727 30 20 CHED C=CC1CCN(C(=O)N[C@H](CC)Cc2ccccc2)CC1 111490888 PJQDGELIBAFIIU-QGZVFWFLSA-N 286.419 3.615 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1 113324656 XWBNVOJTPLFQQE-INIZCTEOSA-N 279.383 3.858 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)cc1Br 116997274 ARFUAPAXCZMSRA-JTQLQIEISA-N 297.196 3.844 30 20 CHED CCOc1ccc(/C=C/C(=O)c2occc2C)cc1OC 119025321 AHLDSZBBFQIEDG-FNORWQNLSA-N 286.327 3.891 30 20 CHED CN(CCC#N)c1ccc(CN2Cc3ccccc3C2)cc1 119965249 KQJZHRICBZQLOQ-UHFFFAOYSA-N 291.398 3.552 30 20 CHED CC[C@@H](C)c1ccc([C@@H](NC(=O)CC#N)C(C)C)cc1 122855331 BIAYOJNFMBBFHF-DYVFJYSZSA-N 272.392 3.927 30 20 CHED CC(C)(C#N)CCSc1nccc(C(F)(F)F)n1 123939819 AYWMOYKEKVOUCK-UHFFFAOYSA-N 275.299 3.527 30 20 CHED CC[C@@H](C#N)Sc1nccn1-c1ccccc1C 127247642 UWUXIALSIHEFSL-LBPRGKRZSA-N 257.362 3.575 30 20 CHED CC(=O)c1ccc(NCCCOc2cccc(C#N)c2)cc1 127525996 NQNGOTRBTKDOJK-UHFFFAOYSA-N 294.354 3.642 30 20 CHED CC[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1ccc(F)cc1 128119644 GGKHQVRIJCFECI-CQSZACIVSA-N 298.317 3.535 30 20 CHED CC(C)(C#N)CCSCc1ccc([N+](=O)[O-])cc1 131233448 YPZDURPFIKDFPJ-UHFFFAOYSA-N 264.350 3.768 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(C)Cc2ccc(C#N)cc2)C1 131297330 RTVRPCAACKVOQY-PBHICJAKSA-N 284.403 3.733 30 20 CHED CC1(C)CCC[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 133679979 NRRWBSREUIHWBP-JKSUJKDBSA-N 299.418 3.909 30 20 CHED C[C@@H]1CSc2ccccc2N1CCCSCC#N 134177196 OHNOPTJTAQJVDB-GFCCVEGCSA-N 278.446 3.634 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)c1c(C)noc1C)c1ccccc1 134748956 PNLQUPJJUIDMAY-DOMZBBRYSA-N 298.386 3.829 30 20 CHED CCCCCCCC(=O)N1CCC[C@H](C(C)(C)C(=O)O)C1 134975533 DJEJAFAMAIOSRF-AWEZNQCLSA-N 297.439 3.696 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1cc(F)ccc1OC 135720555 FQRMXFSWNVZBKG-NWDGAFQWSA-N 251.345 3.840 30 20 CHED CCN(C(=O)c1ccc(C)cc1F)c1ccc(C#N)cc1 152244046 JDPKSRCXLYYDRT-UHFFFAOYSA-N 282.318 3.673 30 20 CHED C=CCCCN(C)[C@H]1CCCc2nc(CC)sc21 152455056 YCUYROXBHKDLIE-ZDUSSCGKSA-N 264.438 3.981 30 20 CHED COc1ccc(C[C@@H](C)CNCc2ccc(C#N)cc2)cc1 157942466 HBOPXKCBOYOOHP-OAHLLOKOSA-N 294.398 3.535 30 20 CHED CCOc1cc(C)ccc1NCc1ccc(C#N)cc1OC 157967217 ZNNSVUIVZBTFHX-UHFFFAOYSA-N 296.370 3.886 30 20 CHED CCCC[C@@H](COC)Nc1ccccc1O[C@H](C)C#N 162261698 FWWCPXAGTCULFG-KGLIPLIRSA-N 276.380 3.595 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)cc2C)c1 165448771 MYEFIBRQCBCHTH-UHFFFAOYSA-N 264.372 3.807 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)cc2C)cc1 165450233 WOOAPBQEGJVBAV-UHFFFAOYSA-N 280.371 3.507 30 20 CHED CSc1cccc(N(C)C(=O)c2cccc(CC#N)c2)c1 171047269 NBOZABALLWYUFN-UHFFFAOYSA-N 296.395 3.751 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2cc(F)ccc2s1 172322371 PKKKRCSZHDPNAI-SECBINFHSA-N 263.337 3.735 30 20 CHED N#CCCN(Cc1cccnc1)C(=O)C1CCCCCCC1 172876831 FYYFJRMDRNCVHD-UHFFFAOYSA-N 299.418 3.684 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)cc1 173565857 QBIZCTNFFYEGPJ-SFHVURJKSA-N 292.382 3.652 30 20 CHED CC(C)Oc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1 173930646 JOHAZXZSGLGZOV-CQSZACIVSA-N 295.386 3.591 30 20 CHED N#CCCCCN1CCc2cc(-c3ccccc3)oc2C1 177719527 DYTZUPXSOXGTJG-UHFFFAOYSA-N 280.371 3.999 30 20 CHED Cc1ncc(CN(C)Cc2ccccc2C(C)(C)C#N)s1 178517288 LZRMTAOIJWKFIL-UHFFFAOYSA-N 299.443 3.885 30 20 CHED N#CCCCCNC(=O)c1occc1-c1ccc(F)cc1 178527677 AZFCDKPPYJESQA-UHFFFAOYSA-N 286.306 3.509 30 20 CHED CSc1ccc([C@H](C)NCCCCC#N)cc1F 178643820 CKFCAIBIKMCWAQ-NSHDSACASA-N 266.385 3.892 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(Cl)nc2)s1 179413509 RLXYNZKOKRIBET-SNAWJCMRSA-N 274.732 3.564 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)cc1)N(C)c1ccccc1 181503459 LVUMAUJVBPKFGW-JKSUJKDBSA-N 293.414 3.734 30 20 CHED COc1ccc(-n2ccnc2SCCCC#N)c(C)c1 182358912 AOIHFHBCJHWTHQ-UHFFFAOYSA-N 287.388 3.585 30 20 CHED C=CCC[C@@H](Nc1ccn(CCc2ccncc2)n1)C1CC1 182473309 DQEVGWUXZYOVTM-QGZVFWFLSA-N 296.418 3.678 30 20 CHED N#Cc1ccc(CCC(=O)OCC2(C#N)CCCCC2)cc1 183676450 LFANUSLHMWUDHN-UHFFFAOYSA-N 296.370 3.508 30 20 CHED CC(=O)c1csc(C(=O)OCC2(C#N)CCCCC2)c1 183718389 ITCHHEPQYZMRNI-UHFFFAOYSA-N 291.372 3.582 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1 183729576 NDZDJQKJLUGSSY-GJZGRUSLSA-N 295.386 3.565 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 183857352 BOWYJOHDKQCUSB-WMLDXEAASA-N 286.419 3.797 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@H](c1ccccc1)C(C)C 183863113 BQVMDCMPRRHDDC-CVEARBPZSA-N 272.392 3.625 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccccc2OCC2CC2)C1 185730289 JLLZCAFCJMQHAG-HUUCEWRRSA-N 270.376 3.970 30 20 CHED C=C(C)[C@@H](NCC1CCOCC1)c1ccc(F)c(F)c1 187371746 ZQZVXTLUZAJVTH-MRXNPFEDSA-N 281.346 3.598 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H](C)C1CCSCC1 187533592 ANXNVAMSSQFMQP-QWHCGFSZSA-N 290.432 3.921 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C)CSC)c1ccccc1 188132108 AQLOAPUSPYWXGR-HIFRSBDPSA-N 277.433 3.604 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CCC1 188980865 FXWRPGJXSSIBRL-UHFFFAOYSA-N 283.371 3.891 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccccc1C)C(C)C 192306799 ADXAJTMIEWECOH-QGZVFWFLSA-N 257.377 3.612 30 20 CHED C=CCCCCCS[C@H](C)C(=O)N(C)C(C)C 192548655 OYHYVDGQYRUAPB-CYBMUJFWSA-N 257.443 3.721 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCc3ncc(C)o3)c2c1 192736240 QROQSPPZTHCDDE-UHFFFAOYSA-N 292.342 3.632 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1ccc(O)c(Cl)c1 194586965 QVXSLNBLEUBYGA-FNORWQNLSA-N 283.714 3.813 30 20 CHED N#Cc1ccc(CC(=O)N2CCC[C@@H]2C2CCCCC2)cc1 194748672 DYRDMVXLNMCEJM-GOSISDBHSA-N 296.414 3.672 30 20 CHED CCCCCCCNC(=O)CCc1cccc([N+](=O)[O-])c1 199342969 SISCVLHKWYFGCA-UHFFFAOYSA-N 292.379 3.614 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1ccc(C#N)cc1)C2 219207859 FPOJTCJCFGHAHD-BQFCYCMXSA-N 268.404 3.863 30 20 CHED C=C(C)CN(CC)C(=O)c1cnc(Cl)c2ccccc12 233439805 JITZDXJUZBIATG-UHFFFAOYSA-N 288.778 3.926 30 20 CHED CCS[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc(C#N)c1 234001290 KPGJYUVZAXKPKB-VBNZEHGJSA-N 274.433 3.883 30 20 CHED C=CCCCCCN1CCCCC[C@@H]1C[C@@H](C)O 235256143 OAIZHXQVHCDUHU-HZPDHXFCSA-N 253.430 3.748 30 20 CHED C=CCCCCCSc1ncccc1C(=O)O 236459091 NDVVWJNRZVQVEV-UHFFFAOYSA-N 251.351 3.618 30 20 CHED N#Cc1csc(/C=C\C(=O)c2ccc(Cl)nc2)c1 255137566 UWROJOHIWMNBES-IHWYPQMZSA-N 274.732 3.564 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(F)cc2)no1 264622307 MNDYTDIMPYXRDK-SNVBAGLBSA-N 262.284 3.529 30 20 CHED C#CCCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 270567378 ZKDOPRPKJKFMJF-MRXNPFEDSA-N 295.430 3.820 30 20 CHED CC1(C)CCc2ccc(OC[C@H](C#N)CCC#N)cc2O1 272749610 KYPWDCJQQIJZPS-ZDUSSCGKSA-N 284.359 3.613 30 20 CHED C=CCCN(C)[C@@H](C)C(=O)Nc1ccccc1C(C)C 276356526 FBRDGTWBMGDFIJ-AWEZNQCLSA-N 274.408 3.645 30 20 CHED C=CC[C@H]1N(C(=O)Nc2nccs2)CCCC1(C)C 277904673 OIAQKALGEZWBOC-LLVKDONJSA-N 279.409 3.742 30 20 CHED COC[C@H](NCCCCC(C)(C)C#N)c1ccc(C)o1 278543365 AJDZHHRVWRHXFI-AWEZNQCLSA-N 278.396 3.585 30 20 CHED CC#CCCCC(=O)Nc1cc(-c2ncc[nH]2)ccc1C 280228342 ODOMYMVQAGPJQX-UHFFFAOYSA-N 281.359 3.517 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1ccc(C)s1 281498186 WLTIAGXGBFHYIQ-LBPRGKRZSA-N 266.410 3.553 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(C#N)cc1 283728150 YWRCOGDKQDBLRY-CYBMUJFWSA-N 270.376 3.599 30 20 CHED CC(C)(C)c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 285093514 MXWJQQCDHUAOSO-UHFFFAOYSA-N 287.338 3.704 30 20 CHED C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1nccn1-c1ccccc1 287251576 ZOBLIMNRHYMUDZ-JYJNAYRXSA-N 294.402 3.605 30 20 CHED CC1(Cc2noc(-c3ccccc3OCC#N)n2)CCCC1 288963628 AOTPAERQAYYQGE-UHFFFAOYSA-N 297.358 3.762 30 20 CHED C=C[C@@](C)(CCOC)c1nc([C@H]2CCCCS2)no1 289566792 FQRSUPWOCWTIRE-RISCZKNCSA-N 282.409 3.508 30 20 CHED CC(C)(CCC#N)CN1CCC[C@@H]1c1ccncc1 289747631 IZBIWCRZXICVOM-OAHLLOKOSA-N 257.381 3.548 30 20 CHED N#CCCCC(=O)Nc1cccc(OC2CCCC2)c1 292653748 PLSCLOGQDJIWPC-UHFFFAOYSA-N 272.348 3.640 30 20 CHED N#CCc1ccc(-c2nc(CC3CCCC3)no2)cc1 293283394 IFHRWFUKGJJEBO-UHFFFAOYSA-N 267.332 3.535 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)Cc1cccnc1 294638393 GQFINEBXSDHWOX-SJORKVTESA-N 299.418 3.540 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 297980446 QOGBMRKLDALMBD-LLVKDONJSA-N 297.185 3.886 30 20 CHED CC[C@H](C)Oc1ccc(Nc2nnc(C)c(C)c2C#N)cc1 301123415 ZQTYEFYTTQJTTF-NSHDSACASA-N 296.374 3.886 30 20 CHED C[C@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 301190164 VWOLTFPCDDNODF-JTQLQIEISA-N 268.282 3.813 30 20 CHED CC(C)[C@@H](CNc1cccc(C#N)n1)c1ccccc1 301280805 OAJKWNGRLKSDBO-MRXNPFEDSA-N 265.360 3.805 30 20 CHED CC(C)(C)Oc1ccc(Nc2ccc(C#N)cn2)cc1 301411468 KJHRFKZJVGZOKI-UHFFFAOYSA-N 267.332 3.874 30 20 CHED Cc1nc2ccccc2nc1N[C@H](C)c1cccc(C#N)c1 301419215 DDAGQPDSBANJNN-GFCCVEGCSA-N 288.354 3.983 30 20 CHED COCCc1ccc(Oc2ccc(Cl)c(C#N)n2)cc1 301574036 YACRVWCILKFSQI-UHFFFAOYSA-N 288.734 3.588 30 20 CHED N#Cc1cccc(Sc2ccc(Cl)c(C#N)n2)c1 301637457 LXHIVLGDKLWTQF-UHFFFAOYSA-N 271.732 3.630 30 20 CHED C=C[C@H](C)Nc1cncc(SCc2ccccc2)n1 301838704 ZECLZDQREJBWKU-LBPRGKRZSA-N 271.389 3.755 30 20 CHED C[C@@H]1CCN(c2ccc(Br)cc2C#N)[C@@H]1C 302092066 PZRLHHLZUKORNN-NXEZZACHSA-N 279.181 3.555 30 20 CHED C[C@@H](Nc1ccc(C#N)nn1)c1cc(Cl)ccc1Cl 302349278 BJOFKNNWHIQXSV-MRVPVSSYSA-N 293.157 3.828 30 20 CHED Cc1nc(C)c(CNc2ccc3cc(C#N)ccc3n2)s1 302656531 KWOJULRKRRUTLO-UHFFFAOYSA-N 294.383 3.792 30 20 CHED Cc1ccc(N/C(N)=N/CCC2=CCCCC2)cc1 303723943 ZKEOPJQJWJYYBW-UHFFFAOYSA-N 257.381 3.612 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1C 307963148 NZRRLFFZZRSUCX-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1nc(COc2cc(Cl)cc(C#N)c2)cs1 310066510 BRTLOPLEJCMCPN-UHFFFAOYSA-N 264.737 3.556 30 20 CHED CC(C)n1cc2cc(N/C(O)=N/C3CCCC3)ccc2n1 329943156 VZZGRCWYEYFKHT-UHFFFAOYSA-N 286.379 3.886 30 20 CHED CCc1nc(C)c(/C(O)=N/C2(C(=N)O)CCCCC2)s1 330727286 FYXYMCURIZNBMA-UHFFFAOYSA-N 295.408 3.557 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1ccoc1Cl 331223250 WIRKAUJYFGIQLJ-GFCCVEGCSA-N 254.717 3.566 30 20 CHED C[C@H](C(=O)N[C@H](C#N)C1CC1)c1ccc(Cl)c(Cl)c1 331832478 JRGZSWGAJVHKIK-ISVAXAHUSA-N 297.185 3.515 30 20 CHED Cc1coc(C)c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 334241191 MYXDGVSUBPJZET-CYBMUJFWSA-N 288.734 3.545 30 20 CHED Cc1cc(C)c(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)o1 335082585 GIUYHOUWQCTINR-ZDUSSCGKSA-N 282.343 3.601 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2cccc3ccccc23)C1 335304109 YNAGPNXZXJPNKF-GXTWGEPZSA-N 279.343 3.654 30 20 CHED C[C@@H](C#N)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 335844695 LRIMGFNKNIWIJD-DTWKUNHWSA-N 297.185 3.599 30 20 CHED CC(C)c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 335992797 TVCOLCWHXVYQOJ-UHFFFAOYSA-N 255.321 3.661 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)o1 336614278 PGEKEELTTPXRPH-ZFWWWQNUSA-N 294.354 3.560 30 20 CHED CC(C)(C)[C@H]1CCCN1CCCC1(C#N)CCOCC1 337147503 ZBYXMROUUCMIJK-OAHLLOKOSA-N 278.440 3.597 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccccc2nc1C 338142478 ZRAFSRLAKSSFHK-UHFFFAOYSA-N 268.360 3.581 30 20 CHED C[C@H]1C[C@H](CCNc2ccc(C#N)cc2)C[C@@H](C)O1 338489612 RJDKCJTTWCSOQE-AGGWBTHJSA-N 258.365 3.564 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(F)c(C#N)c1 341519045 AROBNVUMFNXCOK-BLLLJJGKSA-N 288.366 3.738 30 20 CHED N#Cc1ccc(NC[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 342725653 IBPDOZQFPPOMPB-CQSZACIVSA-N 293.326 3.608 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@@H](c3ccccc3F)C2)c1 343035961 XBNBLERZOJCNFF-KGLIPLIRSA-N 281.334 3.841 30 20 CHED N#Cc1ccnc(NCCc2cccc3[nH]ccc23)c1Cl 343153666 LUPSRJFCYLOSFZ-UHFFFAOYSA-N 296.761 3.743 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2ccc(F)c(C#N)c2)cc1 343171373 ZYSJQKYFMSTASY-UHFFFAOYSA-N 297.333 3.670 30 20 CHED N#CCc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1 343537328 MJJDCDOADFLMDV-IAGOWNOFSA-N 286.444 3.613 30 20 CHED N#CCCN(Cc1ccccc1)Cc1ccc(F)cc1 346791144 HNHDFTSEDUWCHW-UHFFFAOYSA-N 268.335 3.742 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCCc2sccc21 349930726 FSLHURKFQVIPHS-WCQYABFASA-N 278.421 3.779 30 20 CHED C[C@H](NCc1ccc(C#N)o1)c1cc2cccc(F)c2o1 353208535 QPAJHYLCXPDKLQ-JTQLQIEISA-N 284.290 3.887 30 20 CHED C=CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)C1CC1 357946643 XAEAZFLTUVKBOA-UHFFFAOYSA-N 295.382 3.641 30 20 CHED CC1CCC(CC(=O)Nc2cccc(C#N)c2)CC1 359718321 NTWRRDXFWPIYCL-UHFFFAOYSA-N 256.349 3.713 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)NCC(C)(C)CCC#N 359758702 RLHVYDFIYLQSDI-HNNXBMFYSA-N 294.439 3.560 30 20 CHED C=CCCCCNC(=O)c1sc(C(F)(F)F)nc1C 360653407 PMCYKKOYWQYNOB-UHFFFAOYSA-N 292.326 3.556 30 20 CHED Cc1occc1-c1noc([C@@H](C)c2cccc(C#N)c2)n1 361259186 BSMRRPBCOUMNCO-JTQLQIEISA-N 279.299 3.662 30 20 CHED C=C[C@H](CC(=O)N(C)c1ccnc(C)c1)c1ccccc1 361948043 OOHOWDRZXARDQQ-OAHLLOKOSA-N 280.371 3.713 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CC(C)C)c1ccccc1 362369328 FUGWMWHPCDFCSU-UKRRQHHQSA-N 260.381 3.648 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)s1 362971210 AFSLUUCVZDAMJH-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C#CCC1(C(=O)N2CC=C(c3ccccc3)C2)CCCCC1 365077722 LEIMSNWNHOVHLZ-UHFFFAOYSA-N 293.410 3.886 30 20 CHED C=CC[C@@H](C(=O)N1C[C@H]2CCCC[C@H]21)c1ccccc1 365791801 GXWTZEPEGUULAG-BRWVUGGUSA-N 269.388 3.747 30 20 CHED C=C(Cl)CN1CCC[C@H](c2nc3ccccc3o2)C1 366469549 QSVZKTJEDUEIBO-LBPRGKRZSA-N 276.767 3.760 30 20 CHED CSCC1CCC(Nc2nc(C)ccc2C#N)CC1 385425884 CLEXPDOEOVVAKN-UHFFFAOYSA-N 275.421 3.595 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc2[nH]ccc12 389005208 GPEKJIBIKYXCRZ-UHFFFAOYSA-N 256.349 3.500 30 20 CHED CC(C)O[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 404707843 QFTGYEGDIAHJMR-HNNXBMFYSA-N 292.810 3.601 30 20 CHED C=CCC[C@H](NC(=O)N1CC[C@@H](C)C1)c1ccccc1 409503696 RZXANCKLXNSSDP-ZBFHGGJFSA-N 272.392 3.745 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 410128050 PUCCWXUQXAHXLK-RBSFLKMASA-N 251.414 3.920 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 410990009 VLYKQMXIAKVEPW-UWVGGRQHSA-N 276.405 3.900 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@H]1CCC[C@H]1C 411063573 LQJONMPKXXZTPS-BXUZGUMPSA-N 284.359 3.526 30 20 CHED C=CCC1(c2nc([C@@H](N)CC(C)C)no2)CCCC1 414612546 DCLYRSJADRPSNB-LBPRGKRZSA-N 263.385 3.503 30 20 CHED Cc1ccc(CC[C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 424319562 FBPRFIAXEAXOIK-HYVNUMGLSA-N 256.393 3.598 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCC(F)(F)C1 424836157 SIWYGAPBTHIXJI-GFCCVEGCSA-N 273.367 3.921 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc3c(c2)CCO3)no1 426409841 GRIZCZRSFYDZST-UHFFFAOYSA-N 270.332 3.525 30 20 CHED C=CCCO[C@H](C)C(=O)NCc1ccc(C2CCC2)cc1 427214571 BMFWLKPGJCRPGB-CQSZACIVSA-N 287.403 3.552 30 20 CHED C[C@H]1CN([C@@H](C)c2cccc(C#N)c2)Cc2ccccc2O1 429132322 ZITBZJFKANGXGW-GJZGRUSLSA-N 292.382 3.902 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)NCC1(CC#N)CC1 430682934 YLZZDHAPEKDJOC-CQSZACIVSA-N 291.439 3.728 30 20 CHED Cc1ccccc1[C@@H](NC(=O)NCC1(CC#N)CC1)C(C)C 430684193 ZHQDLAFRNCFLET-INIZCTEOSA-N 299.418 3.685 30 20 CHED CCc1ccccc1C(=O)N(CCC#N)CCC(C)C 434117785 AXNNLQHGEMPTIZ-UHFFFAOYSA-N 272.392 3.651 30 20 CHED CC#CCCNC(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C 434371526 DWPUGKKCKYIUHU-INIZCTEOSA-N 290.382 3.578 30 20 CHED CC[C@]1(C)CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 435093220 CGQDCOBRJQBEID-GOSISDBHSA-N 296.414 3.629 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C)c2ncccc2c1 435744116 DBLZZOOZMZTIEE-HKUYNNGSSA-N 296.414 3.614 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(C(F)(F)F)cc1 435747280 GFSOMXSGVLPXDX-HIFRSBDPSA-N 299.336 3.776 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCc2ccc(C)cc21 436308368 MUVZWBKLHOBPPA-NXHRZFHOSA-N 271.404 3.553 30 20 CHED C=CCC1(C(=O)Nc2cc(C(=O)CC)ccc2O)CCC1 436658833 PCHOQXLZDTUGAH-UHFFFAOYSA-N 287.359 3.670 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F 439404141 AGPHRCJFZDBEBT-DCAQKATOSA-N 280.334 3.617 30 20 CHED CC(C)c1ncc(CN(C)[C@H](C)c2cccc(C#N)c2)cn1 440481178 MIIYKNXWNNBDKQ-CQSZACIVSA-N 294.402 3.665 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN1CCCC(C)(C)[C@H]1C#N 444720948 QMOBBIFNIAJJHX-BZUAXINKSA-N 278.440 3.596 30 20 CHED C=CC(C)(C)C(=O)N(CC)Cc1cccc(Cl)c1 448665153 LKXUBXIXAORBEB-UHFFFAOYSA-N 265.784 3.901 30 20 CHED CC1(C#N)CCC(NCC2(c3ccccc3)CC2)CC1 449070478 CUGUMDTZBOERAV-UHFFFAOYSA-N 268.404 3.780 30 20 CHED CCC(CC)Oc1ccc(C(=O)NCCCCC#N)cc1 449843076 PJKRVTSMYCXYEP-UHFFFAOYSA-N 288.391 3.678 30 20 CHED CC(C)[C@H](C)Sc1cccc(C#N)c1[N+](=O)[O-] 450358614 BOGUHZUWJDSOMH-VIFPVBQESA-N 250.323 3.603 30 20 CHED C=CCCc1noc(/C=C/c2cc(C)ccc2OC)n1 453249437 TWBAOQCJPHWCGA-CSKARUKUSA-N 270.332 3.676 30 20 CHED CC#CCN(C)C(=O)Nc1ccc2ccn(CCC)c2c1 454835121 WIFCEJUXOQFSMY-UHFFFAOYSA-N 283.375 3.538 30 20 CHED CCCCCNC(=O)Nc1ccc(CC#N)cc1Cl 455761581 ZXIZOLRCTSJZPN-UHFFFAOYSA-N 279.771 3.718 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 462914258 STTARSDSDSASLH-HZSPNIEDSA-N 285.347 3.847 30 20 CHED CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1(C)C 463007535 DOUYUFSHSOVAJA-KBRIMQKVSA-N 286.419 3.801 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C)cc(F)c2)c1 463145076 LSAJNZTZYPRZGM-UHFFFAOYSA-N 285.318 3.951 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@H](CC1CCCC1)C(C)C 464310182 KAMIJXGAAXKOCG-CABCVRRESA-N 264.413 3.503 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 465117063 TWWYSLVGRNQWAG-AFAVFJNCSA-N 265.356 3.634 30 20 CHED CCC(O)(CC)CCNc1ccc(C#N)c(Cl)c1 472443990 YEFIILOUOKDAMZ-UHFFFAOYSA-N 266.772 3.565 30 20 CHED C=CCC[C@H](O)CN1CCCC[C@@H]1c1ccc(C)cc1 472574070 MCETVNJPUZPBGH-ZWKOTPCHSA-N 273.420 3.849 30 20 CHED C=CCCCCNC(=O)NC1(c2cccc(Cl)c2)CC1 474089431 NPVICBCERMMWPU-UHFFFAOYSA-N 292.810 3.985 30 20 CHED C=CC[C@@H](C)[C@H](C)NCC1(C)CCC(OC)CC1 475201505 IVVSFTDMTSQCJE-QVOMUQBLSA-N 253.430 3.772 30 20 CHED Cc1cccc(-c2noc(-c3ccc(C#N)s3)n2)c1F 485984376 AFFQPBHTAHHJDG-UHFFFAOYSA-N 285.303 3.784 30 20 CHED CC(C)c1ccc(NC(=O)c2ccc(C#N)s2)cc1 486838329 HJUDPMZWYYOJPX-UHFFFAOYSA-N 270.357 3.995 30 20 CHED COCC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccc(C)o1 488311506 SFJQTSJVUGMZOD-QGZVFWFLSA-N 298.386 3.636 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C)c(Cl)c1 488839130 MSWSRWDIYOZSKD-CYBMUJFWSA-N 263.768 3.829 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(OCCC)c1 488849175 CXQYCDPAJRQZDH-OAHLLOKOSA-N 273.376 3.656 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(SC)n1 496935072 XUSSLLXSIYKTNP-LLVKDONJSA-N 279.409 3.670 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 497914215 NOQHJKWMLNDHJY-IIAWOOMASA-N 287.403 3.806 30 20 CHED Cc1ccc(C)c(C(=O)[C@@H](C)Sc2ccc(C#N)cn2)c1 498143809 FKTLSNPLUGCYLK-CYBMUJFWSA-N 296.395 3.934 30 20 CHED COc1ccc(C#N)cc1NC[C@@H]1C[C@@H]1c1ccccc1 500985458 YBKOZYCYNRVMDB-JKSUJKDBSA-N 278.355 3.782 30 20 CHED CC#CCCNC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 502111711 MOBZFBPAYRXLAL-ZDUSSCGKSA-N 298.361 3.753 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(OCCC(C)C)c1 508439101 PNWYXAXNFJGDOI-KRWDZBQOSA-N 288.391 3.990 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H]2CSC[C@@H]2C)CCCC1(C)C 510266325 XZRGCUOMQDYQAZ-IHRRRGAJSA-N 296.480 3.514 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1C[C@H]2CC[C@H]1C2 512197090 RTKXTBIRNJJHCF-JYJNAYRXSA-N 289.419 3.586 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)CCC1CCCCC1 512656012 DBNBLSYXISVOGL-UHFFFAOYSA-N 284.403 3.909 30 20 CHED CCC(CC)CN(CC)C(=O)NCC(C)(C)CCC#N 513141858 VXUVADNFNXUUSN-UHFFFAOYSA-N 281.444 3.784 30 20 CHED C=CC1CCN(C(=O)[C@H](CCC)c2ccccc2)CC1 517657013 GJKVHUOPHBGRFA-QGZVFWFLSA-N 271.404 3.995 30 20 CHED C=CC1CCN(C(=O)Cc2ccc(CCCC)cc2)CC1 521955673 UJGDKDAPURVBEL-UHFFFAOYSA-N 285.431 3.996 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 522961004 NQVHKDYYLTVQFR-HNNXBMFYSA-N 294.354 3.901 30 20 CHED CCC(C#N)(CC)c1nc([C@H](C)c2cccs2)no1 528133574 UOEIMVVQIIFUOQ-SNVBAGLBSA-N 275.377 3.864 30 20 CHED COc1cccc([C@@H]2CN([C@H](C)CCC#N)CC2(C)C)c1 528624219 LPDWRHVYIVBVPT-PBHICJAKSA-N 286.419 3.813 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(C)c(O)c(C)c1C 529059619 AGPQHCLDWKGIKW-UHFFFAOYSA-N 274.364 3.586 30 20 CHED N#CCCCCN1CCC(=Cc2cccc(F)c2)CC1 532748443 UWAOJPQPGMMIOK-UHFFFAOYSA-N 272.367 3.999 30 20 CHED N#Cc1ccncc1NCc1cccc(Cl)c1Cl 535796337 WYQKOKGRQDFNDR-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1ccc(F)cc1)C1CCCC1 539293959 FZQQGTCDPYGRRE-KDOFPFPSSA-N 291.410 3.831 30 20 CHED Cn1ccc2c(NCc3cccc(C#N)c3F)cccc21 541305500 ZLJNVDWEYPLYEF-UHFFFAOYSA-N 279.318 3.801 30 20 CHED COC1CCC(CCN[C@@H](C)c2ccc(C#N)cc2)CC1 541778290 FBPKGEDBCYZNCN-SYJJWHGVSA-N 286.419 3.804 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)N1CCC(CC#N)CC1 541914609 CUYYUHLQCKUPSG-HOCLYGCPSA-N 291.439 3.538 30 20 CHED CCC1(CNC(=O)c2cc(C#N)cs2)CCCCC1 546524353 MXZYAOVDXGTOKU-UHFFFAOYSA-N 276.405 3.710 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 548286709 BTOXAEBZBFLLDT-IINYFYTJSA-N 276.767 3.520 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccccc1CC#N 554752269 MHWMNCIGIJTRFM-LBPRGKRZSA-N 258.365 3.763 30 20 CHED C[C@H](NCCC1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 558975563 WGHRXHRDLVPGBR-KFWWJZLASA-N 286.419 3.803 30 20 CHED C[C@](C#N)(NC(=O)c1cccc2c1CCC2)C1CCCCC1 559595314 XMRWRPILKFWYBJ-LJQANCHMSA-N 296.414 3.768 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 560002221 OVVAZFGKANSNRE-ZWNOBZJWSA-N 274.751 3.752 30 20 CHED N#CC1(CN[C@@H](c2ccccc2)C(F)(F)F)CCC1 560207811 LRKBEFXOYXLEAY-LBPRGKRZSA-N 268.282 3.573 30 20 CHED C=C(C)C[C@H](C)c1nc(C2CCSCC2)no1 561919943 SOXUHIIKYUBNOS-JTQLQIEISA-N 252.383 3.750 30 20 CHED N#Cc1ccsc1NC(=O)Cc1cccc(C2CC2)c1 565880193 LZAPSYCCJLOKDA-UHFFFAOYSA-N 282.368 3.678 30 20 CHED CCc1nc([C@H](C)Nc2ncc3c(c2C#N)CCC3)cs1 567718228 GFCZNQXJQSDDDH-JTQLQIEISA-N 298.415 3.634 30 20 CHED C=CCCCCN1CCC(OCCC(C)C)CC1 569425672 BZMZALVFHJKAPS-UHFFFAOYSA-N 253.430 3.870 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)C[C@H]1CCCC(C)(C)C1 571201050 LPBHYYFTRZPQMJ-CJNGLKHVSA-N 296.480 3.744 30 20 CHED C[C@@H](c1ccccc1F)N1CCC(CCC#N)CC1 571519532 RWXKDTZUAWYUPF-ZDUSSCGKSA-N 260.356 3.902 30 20 CHED N#Cc1cc(N2CCc3c(-c4ccccc4)cccc32)ncn1 573760485 ZHIOHVAECWXMQQ-UHFFFAOYSA-N 298.349 3.709 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)[C@H](C)c1ccc(C#N)cc1 573923043 GOQUFTFMEGHVQV-JEBQAFNWSA-N 296.414 3.904 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc(Cl)c(C#N)c1 577896770 UWXSIWIFRUDMLN-UHFFFAOYSA-N 295.729 3.530 30 20 CHED Cc1cc(CN2CCC[C@H]2c2ccccn2)ccc1C#N 580267861 PNIWXYIERCAGPS-SFHVURJKSA-N 277.371 3.599 30 20 CHED CS[C@H](C)CNc1c(C#N)cnc2c(Cl)cccc12 581545528 PTOCXYUDSRVNKS-SECBINFHSA-N 291.807 3.923 30 20 CHED C[C@H](ON=Cc1ccccc1F)c1cccc(C#N)c1 588614525 BUKUBHUOWGENBR-LBPRGKRZSA-N 268.291 3.809 30 20 CHED CCOc1ccc(N(CC)C(=O)CCCCCC#N)cc1 588752804 AQIGHWNTEXHPLW-UHFFFAOYSA-N 288.391 3.912 30 20 CHED COCc1ccccc1/C=C(\C)CN1CCC[C@@](C)(C#N)C1 590362461 KOZLSFGIMRLEBH-SKTWIKFTSA-N 298.430 3.862 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)[C@@]1(C#N)CC13CCCC3)CC2 590632134 JRFNUXONFPWUEL-LPHOPBHVSA-N 294.398 3.573 30 20 CHED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC2(CCCC2)O1 592195898 VNOBHRRAOWJTKZ-HUUCEWRRSA-N 284.403 3.653 30 20 CHED CC[C@@H](C#N)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 593398088 DMDYPJYWHMCXGR-RYUDHWBXSA-N 270.332 3.502 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 593518350 XPBJXMHRNACMDD-MLGOLLRUSA-N 288.366 3.723 30 20 CHED CC[C@H](Cc1ccc(Br)cc1)NCCCC#N 595031414 GBZRIPGESIJMSB-CQSZACIVSA-N 295.224 3.664 30 20 CHED C=CCCSCCN[C@@H](C)c1cccc(OC)c1 595057345 CIVDIHVKCMOMFK-ZDUSSCGKSA-N 265.422 3.655 30 20 CHED C=CCCSCCN[C@@H]1CCCc2c(O)cccc21 595059365 MZOPRHGFTFINPE-OAHLLOKOSA-N 277.433 3.669 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 595790196 UWVUCOSCNXYMKH-OALUTQOASA-N 298.430 3.648 30 20 CHED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@H](C)C#N 597081529 BTLDZIMKCOHRKS-RISCZKNCSA-N 284.325 3.776 30 20 CHED CC1(C)CCCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)[C@H]1C#N 597568184 NBFQJPZNCJUTPG-KFWWJZLASA-N 288.435 3.744 30 20 CHED N#CCCCCCC(=O)NCc1ccc2occc2c1 597975870 NOJUEBGVIMQWLE-UHFFFAOYSA-N 270.332 3.523 30 20 CHED CC[C@H](NCc1ccc(C)o1)c1ccc(C#N)cc1 601303063 BSOJQWLTOOGDBE-INIZCTEOSA-N 254.333 3.701 30 20 CHED Cc1cc(C)cc(N[C@@H](C)CC2(C#N)CCOCC2)c1 602482594 FKEOITGDIDHYPW-HNNXBMFYSA-N 272.392 3.814 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCCc2ccc(F)cc21 602638564 PMSUSOIOIFDAAR-BLLLJJGKSA-N 260.356 3.733 30 20 CHED Cc1ccc2c(c1)[C@@H](NC[C@H](C)CCC#N)CCC2 602665103 QLQUOLHKGZRPOJ-PBHICJAKSA-N 256.393 3.902 30 20 CHED CC[C@@H]1CCC[C@@H]1CN[C@@H](C)CC1(C#N)CCOCC1 602678568 GGDBKCYIPNNDSI-ARFHVFGLSA-N 278.440 3.501 30 20 CHED COCc1cc(C#N)ccc1NC[C@H]1CCC(F)(F)C1 603372890 WISZGQDJSSJKEM-LBPRGKRZSA-N 280.318 3.552 30 20 CHED C=CCOc1ccc(C(=O)NC2C[C@@H](C)C[C@H](C)C2)cc1 606818392 KHCONTMMCAPCKK-KBPBESRZSA-N 287.403 3.806 30 20 CHED C=CCCN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 606897484 VXWSAPXARIFHIW-DLBZAZTESA-N 259.393 3.662 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@H](C)C1CCCCC1 608814509 GMFCXHVFZRLQKA-AWEZNQCLSA-N 264.413 3.744 30 20 CHED Cc1cccc2c(N3C[C@@H](C)C[C@H](C)C3)c(C#N)cnc12 610210872 FZCVYORVBXDQQQ-STQMWFEESA-N 279.387 3.897 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 611540507 OSNQFEJDBUCQSB-QDEZUTFSSA-N 284.403 3.808 30 20 CHED CC(C)(C#N)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 613540291 JQSGJXBTQIDYOQ-HZPDHXFCSA-N 256.393 3.537 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)ccc1NC(C)C 617251024 CVFNUMHMNVVKCJ-UHFFFAOYSA-N 296.798 3.692 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 617788496 KDTILIJXDUWZAW-CQSZACIVSA-N 269.388 3.604 30 20 CHED CCc1cc(C#N)c(NC(=O)c2nc(C)c(C)s2)s1 618641925 PRNKMOAPQVSAAY-UHFFFAOYSA-N 291.401 3.508 30 20 CHED CCCC1(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCC1 618787752 NGHFQVNXAAYCFG-MRXNPFEDSA-N 282.387 3.632 30 20 CHED Cc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)o1 618803365 IEHDSWJPOQGNRA-BLLLJJGKSA-N 266.344 3.798 30 20 CHED C=CCC1(NC(=O)COCc2ccccc2C)CCCC1 622959591 GBFMMIJPTWDWNM-UHFFFAOYSA-N 287.403 3.517 30 20 CHED C=CC[C@@H](C(=O)N1CCc2ncc(C)cc21)c1ccccc1 623233170 QARYNWMQGIFJNN-MRXNPFEDSA-N 292.382 3.639 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccccc1)C1CC1 647070372 WBWNRWGUIZVTEA-AEFFLSMTSA-N 271.404 3.899 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc2c(c1)nnn2C 647331474 BPFFGSOGELTEHP-GFCCVEGCSA-N 258.369 3.515 30 20 CHED C=CCCCCCN1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 659796930 PBHIKXYRWSZKPE-DLBZAZTESA-N 287.403 3.533 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2F)C1 666003867 NAEFMVBOFWIVNS-JTQLQIEISA-N 298.308 3.924 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCc2c(Cl)cccc21 684766291 QEOFTNFUQRTNSR-ZLIFDBKOSA-N 291.822 3.898 30 20 CHED C=CC[C@H]1CCCC[C@H]1Nc1ccc(C(=O)O)c(C)n1 692273302 RPHLOCPIGOUAFD-GXTWGEPZSA-N 274.364 3.635 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)cc1 728231731 OHISKIQFLALXGW-POHAHGRESA-N 282.339 3.995 30 20 CHED C=CCN(C(=O)NCC(C)(C)c1ccc(C)cc1)C(C)C 728753190 OGIQOZQTGRAKTN-UHFFFAOYSA-N 288.435 3.879 30 20 CHED CC(Cc1cccs1)=NNc1ccccc1[N+](=O)[O-] 729632405 BMRAXZIJXPFPFC-UHFFFAOYSA-N 275.333 3.687 30 20 CHED CC(Cc1cccs1)=NNc1cccc([N+](=O)[O-])c1 729632423 CSROHZIWHOAPTB-UHFFFAOYSA-N 275.333 3.687 30 20 CHED C=C(Cl)CN(CCOC)Cc1ccc(F)cc1Cl 730663244 DRAMHWWHKRNYJW-UHFFFAOYSA-N 292.181 3.680 30 20 CHED CCCNC(=S)Nc1ccccc1SC[C@@H](C)C#N 730954979 QLLGTDYSYFUDBJ-NSHDSACASA-N 293.461 3.635 30 20 CHED CCc1ccc(C=NNc2nc3ccccc3[nH]2)s1 731149209 OCFGOPJYVICCIY-UHFFFAOYSA-N 270.361 3.633 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc2c(c1)OCCO2 733749796 ZLZKTGWKSUVJLV-DUXPYHPUSA-N 286.352 3.724 30 20 CHED CCC(=NNc1ncnc2sc(C)c(C)c12)C1CC1 741160971 ASTIFVCGWMJORJ-UHFFFAOYSA-N 274.393 3.896 30 20 CHED CCCCCCCCOCC(=O)N1C2CCC1CC2 741528230 MBPXLCGMZBGTIX-UHFFFAOYSA-N 267.413 3.517 30 20 CHED Cc1ccc(N2CCC[C@H](Nc3ccc(C#N)cc3)C2)cc1 742422631 ZEBOOBFMJCQDEW-SFHVURJKSA-N 291.398 3.948 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)c1 743083876 DRMZHOYWTSMTCB-IEBWSBKVSA-N 290.366 3.520 30 20 CHED CCCCC[C@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 743519467 DABDNOOQXFGGMG-UONOGXRCSA-N 287.407 3.887 30 20 CHED CCCCC[C@H](C)CC(=O)OCC1(CC#N)CC1 744276530 KXLVMKBASCRDAA-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED Cc1ccc(C=NNc2oc(C(C)C)nc2C#N)cc1C 745613227 ALCHDHLZICDSIO-UHFFFAOYSA-N 282.347 3.733 30 20 CHED Cc1cc(C)c(C=NOCc2cccnc2)c(C)c1 746587827 SAGUJANFFJYWEC-UHFFFAOYSA-N 254.333 3.558 30 20 CHED CCC(C)(C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 747196682 AMZROLXGHOOLSO-JTQLQIEISA-N 264.394 3.879 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccccc1O 747638957 XWPRATSVCKBACB-UHFFFAOYSA-N 280.249 3.646 30 20 CHED C[C@H](OC(=O)C1[C@H]2CCCC[C@H]12)c1cccc(C#N)c1 751177091 WSVMWPGBLVHGFO-CQDKDKBSSA-N 269.344 3.599 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1cnn(C)c1 751895558 OGYNPVAHWBSKCH-UHFFFAOYSA-N 283.162 3.563 30 20 CHED N#CCCCCOC(=O)Cc1coc2cc3c(cc12)CCC3 752627589 OLXLXGCWFDYAAJ-UHFFFAOYSA-N 297.354 3.701 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cccnc2Cl)co1 752892983 ZHQKWKJVOSYISB-AATRIKPKSA-N 276.723 3.743 30 20 CHED C[C@H]1CCCC[C@@H]1CNc1ccc(F)cc1OCC#N 753570349 MMSWLJYXTDKESL-QWHCGFSZSA-N 276.355 3.966 30 20 CHED Cc1ccc([C@H](C)NCC#Cc2ccc(F)cc2)s1 754663568 PDXDLWBVIPDGPA-ZDUSSCGKSA-N 273.376 3.898 30 20 CHED C=CCON=Cc1ccc(OC)c(OCc2ccccc2)c1 754778730 MUJHSXJFDWVWBR-UHFFFAOYSA-N 297.354 3.811 30 20 CHED CCN(C[C@H](C)C#N)C(=O)/C(C)=C/c1ccccc1Cl 755544038 WOFPCVQRWYWAKE-AUWXEVLLSA-N 290.794 3.751 30 20 CHED C#CC[C@H](Nc1cccc(F)c1C#N)c1ccccc1 756957272 OACWMVMPVPFUED-INIZCTEOSA-N 264.303 3.874 30 20 CHED O=C(/C=C/c1cc2cc(F)ccc2o1)c1cc(O)ccc1O 757467689 JWVSZHPGZLZUNM-HWKANZROSA-N 298.269 3.879 30 20 CHED C#CCCCCNC(=O)NCc1csc2ccccc12 758690743 YAYXWGANZLLGIF-UHFFFAOYSA-N 286.400 3.504 30 20 CHED C#CCCCC(=O)O[C@@H](C)C(=O)c1cc(C)c(C)cc1C 759173595 KCRCPUUGOITGDM-HNNXBMFYSA-N 286.371 3.530 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(Cl)nc1)C2=O 759664026 HUUWORKBPBKCIY-XFFZJAGNSA-N 285.730 3.566 30 20 CHED CCCCC1CCC(C(=O)[C@@H](C#N)c2ccncn2)CC1 760344553 IPPMZZAABVQWSY-NRXISQOPSA-N 285.391 3.649 30 20 CHED C=C(C)CNC(=S)Nc1cc(C)ccc1Cl 761826115 XRGHTPFPBKORCH-UHFFFAOYSA-N 254.786 3.511 30 20 CHED C#CCN(C(=O)c1cc(C)c(F)c(C)c1)C1CCCCC1 764201626 YSVBLPOQBQXWLR-UHFFFAOYSA-N 287.378 3.851 30 20 CHED C#CCCCN[C@H](C)c1oc2ccc(OC)cc2c1C 766232817 HFEOSILGTBWPTG-CYBMUJFWSA-N 271.360 3.814 30 20 CHED C#CCCOc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 766743625 AUXUFSAPCJVDLL-CYBMUJFWSA-N 289.375 3.674 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(Br)c(F)c1 767092024 RNWKSFMMIQMUSA-UHFFFAOYSA-N 299.139 3.543 30 20 CHED COc1cc(OC(=O)c2cc(Cl)cs2)ccc1C#N 767158854 XAEQLWXWZDCLMZ-UHFFFAOYSA-N 293.731 3.501 30 20 CHED CC(=O)Nc1ccc(C=NNc2c(C)cccc2F)cc1 769828838 XEXKZIPAFZREAB-UHFFFAOYSA-N 285.322 3.539 30 20 CHED N#Cc1cccc([C@H]2CN(CC3CCCCCC3)CCO2)c1 770386831 VGJHJPCLZNROGO-LJQANCHMSA-N 298.430 3.902 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1[N+](=O)[O-] 770569786 VNNWKHMMPVYKQB-POHAHGRESA-N 297.310 3.808 30 20 CHED CCCCCCCCNC(=O)c1cnn(C(C)C)c1C 770859169 KIMFORKJPOHLTM-UHFFFAOYSA-N 279.428 3.863 30 20 CHED CCC(=NNC[C@H](C)C#N)c1ccc2cc(OC)ccc2c1 771100700 VMJSTDMFCBBMQU-CYBMUJFWSA-N 295.386 3.712 30 20 CHED C#CCCCCN[C@H]1CCC[C@@H]1Cc1ccccc1 773040121 JVAPEQYLTJNCFS-MSOLQXFVSA-N 255.405 3.791 30 20 CHED CC(C)c1nccnc1NN=C[C@@H]1CCOc2ccccc21 773078016 LPUQOMPYTNGMHQ-ZDUSSCGKSA-N 296.374 3.564 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1cnc2ccccc2n1 773122649 BWXKTZATRWIXMG-INIZCTEOSA-N 282.391 3.522 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H](C)c2ccncc2CC)c1 773147414 FRQZVRAKJPBQOK-UAAGNOOKSA-N 298.386 3.928 30 20 CHED C=C(CC)COC(=O)COc1ccccc1C(C)C 773451300 JYWKIJVZUFCNLC-UHFFFAOYSA-N 262.349 3.698 30 20 CHED CS/C=C/C(=O)Nc1cc(C(C)(C)C)sc1C#N 774162220 FMVYYCPETRSFMD-AATRIKPKSA-N 280.418 3.732 30 20 CHED C#CCCCCNC(=O)N1C[C@@H](C(C)C)c2ccccc21 774911913 IOFMQSFICVKUEC-INIZCTEOSA-N 284.403 3.759 30 20 CHED C=CCC[C@@H](N[C@H](C)C(=O)OCCC)c1ccccc1 775462905 GGAHEQVNBUZADZ-GDBMZVCRSA-N 275.392 3.625 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1ccc(Cl)s1 776376448 CXFLDCWMXDAENM-UHFFFAOYSA-N 285.796 3.817 30 20 CHED N#CCc1ccccc1CC(=O)Oc1ccccc1Cl 776727639 JGNCPVGBKFXBOG-UHFFFAOYSA-N 285.730 3.554 30 20 CHED CC(=NOC1CCCCC1)c1ccc(O)cc1F 777458611 HTUGHBUBCJVIGT-UHFFFAOYSA-N 251.301 3.605 30 20 CHED FC(F)(F)CCON=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 777459755 LJZJLMHAIIRMOK-RCWTZXSCSA-N 261.287 3.768 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H](O)[C@@H](C)C1 779266288 YRLXZLGGIVSDNA-YESZJQIVSA-N 297.483 3.993 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1ccccc1OCC#N 779273488 HKKKUKSYXRPCRE-VNHYZAJKSA-N 287.359 3.570 30 20 CHED CC#CCCNC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 779447078 QVYLTQYAIGLIIL-QXMHVHEDSA-N 295.304 3.638 30 20 CHED Cc1cc(C(=O)/C=C\c2c(Cl)cnn2C)cc(C)c1F 780186300 GZHRJLIEGBCNOA-PLNGDYQASA-N 292.741 3.726 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)c1c(Cl)cccc1Cl 781175403 MAGHISXCGDJXHF-RKDXNWHRSA-N 286.158 3.942 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C[C@H](C)SC 783872844 BLGFHPVYAITPSG-AWEZNQCLSA-N 293.432 3.665 30 20 CHED CO[C@H]1Cc2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2C1 784075946 HSCVCKUXGFBMAF-YJYMSZOUSA-N 292.382 3.845 30 20 CHED CC(C)C(C)(C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 784129801 KCJFSYBDPKAPFX-LBPRGKRZSA-N 259.349 3.845 30 20 CHED CC1(C(=O)OCc2ccc(C#N)cc2Cl)CCCC1 784193786 YLRMBMSXAZEMNU-UHFFFAOYSA-N 277.751 3.835 30 20 CHED C#CCCCCCC(=O)OCc1ccc(F)cc1C 784264835 SFVOEKLPEPSAEH-UHFFFAOYSA-N 262.324 3.761 30 20 CHED COc1ccc(C=NNC2CCCCC2)c(OC(F)F)c1 786043057 GFCGPLYNELSTJZ-UHFFFAOYSA-N 298.333 3.553 30 20 CHED CC(C)(C)CC(=NNc1ncccc1[N+](=O)[O-])C1CC1 787161840 FZQYWHBFSBUFSM-UHFFFAOYSA-N 276.340 3.604 30 20 CHED N#CCCNC(=O)N[C@H](c1ccccc1)C1CCCCC1 787355960 YTWLHXARMJQEEB-MRXNPFEDSA-N 285.391 3.521 30 20 CHED CC[C@H](C#N)OC(=O)CCC[C@@H](C)c1cccc(OC)c1 789045574 DDMJBPGGGXGYDM-UKRRQHHQSA-N 289.375 3.814 30 20 CHED O=C(/C=C\c1cnc(-c2ccco2)s1)c1cncs1 789141314 CWFXOJWRDJIMPS-ARJAWSKDSA-N 288.353 3.756 30 20 CHED COc1ncc(C(=O)/C=C/c2ccc(C)cc2)cc1Cl 789156951 UCZMYGNTZJRETP-BQYQJAHWSA-N 287.746 3.948 30 20 CHED C#CCC1(C(=O)OCCCC2CCOCC2)CCCCC1 790665002 CEVPPDKIVRHIGI-UHFFFAOYSA-N 292.419 3.710 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C(C)(C)C(F)F 792478811 LRBRSLBSXCVAHI-UHFFFAOYSA-N 297.345 3.814 30 20 CHED C[C@H](NN=Cc1ccc(N2CCCCC2)o1)C(C)(C)C 793111559 JDUSFYUUZJYTQS-ZDUSSCGKSA-N 277.412 3.628 30 20 CHED C[C@@H]1CC(=NNc2ncncc2F)C[C@H](c2ccccc2)C1 793209951 FMGZFWVZJBDSCF-GXTWGEPZSA-N 298.365 3.987 30 20 CHED CSCCON=C1CCC[C@H]1Cc1ccccc1 794573944 PJIICSLRBQHDHB-AWEZNQCLSA-N 263.406 3.765 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1cccc(CC(C)C)c1 794724635 RUILLYIVVLCOKG-HJWRWDBZSA-N 282.387 3.823 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc2n[nH]cc2c1 794922508 KBIQVPOXLRPSTI-UHFFFAOYSA-N 282.322 3.847 30 20 CHED O=C1/C(=C\c2c(F)cccc2F)CCc2ccc(O)cc21 794959916 GLKHREGLZAHXMB-FLIBITNWSA-N 286.277 3.883 30 20 CHED CC(=NNc1cccc(F)n1)c1cccc(Cl)c1 795008025 DBZVJSPNFWOCSR-UHFFFAOYSA-N 263.703 3.710 30 20 CHED CCCCCCCOC(=O)C(C)(C)C1CCOCC1 796435355 NWJYXFWGVLPKMA-UHFFFAOYSA-N 270.413 3.953 30 20 CHED C=CC[C@H](CC)N[C@@H](CC)c1ccc(F)cc1O 796976249 AKXYAGOGCGAADU-JSGCOSHPSA-N 251.345 3.927 30 20 CHED O=C(/C=C\c1ccsc1)c1ccnn1-c1ccccc1 798371999 IBHYQUSCOMXGMJ-SREVYHEPSA-N 280.352 3.830 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccccc1Cl 798376798 ZLVLJQFOJZIMFZ-SNVBAGLBSA-N 268.813 3.981 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccc2ccccc2n1 799864954 MTRBGHZQYMZDCH-AWEZNQCLSA-N 283.375 3.839 30 20 CHED CC(CC1CC1)=NN[C@H](C)CCc1ccc2c(c1)OCO2 802713910 YDHADEPXFIPVLN-GFCCVEGCSA-N 288.391 3.502 30 20 CHED C[C@H](C#N)OCCOc1ccc2oc3ccccc3c2c1 802724607 GCFUWMAMCGTKDM-GFCCVEGCSA-N 281.311 3.893 30 20 CHED C=C[C@@H](CC(=O)OCC1CC(OCC)C1)c1ccccc1 802944346 CUDFDAPHFGNSDK-CKDBGZEDSA-N 288.387 3.705 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cc[nH]c1C(C)C 803782190 MENPWQWOBQLWLO-UHFFFAOYSA-N 282.343 3.675 30 20 CHED C=CCCCCCCNC(=O)N(C)C1CCCC1 805103748 BZDCPLTZXIAZGX-UHFFFAOYSA-N 252.402 3.707 30 20 CHED Cc1cc(C(=O)COC(=O)CCCCCC#N)c(C)s1 805696522 INBNZNSZUCPCBW-UHFFFAOYSA-N 293.388 3.565 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)o1 806568263 UASFXQGXMSNMPC-VOTSOKGWSA-N 270.332 3.572 30 20 CHED COc1ccc(C=NNc2cccc(F)c2)c(C)c1OC 807966562 OACOLGCBORSGTQ-UHFFFAOYSA-N 288.322 3.597 30 20 CHED N#CCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 808012776 JGUSHJNBGAKLEL-UHFFFAOYSA-N 295.726 3.661 30 20 CHED CCc1c(C(=O)/C=C/c2cnccn2)oc2ccc(C)cc12 809152008 AOLBBOWZMYDVDK-AATRIKPKSA-N 292.338 3.990 30 20 CHED C#CCCCc1nc([C@H]2CCCc3cc(OC)ccc32)no1 809441710 JRJQHUOHSCVARP-INIZCTEOSA-N 296.370 3.502 30 20 CHED C#C[C@H](CC)N[C@@H](C)Cc1ccccc1C(F)(F)F 809686013 IIVOTVZOSASWLC-WCQYABFASA-N 269.310 3.638 30 20 CHED C#C[C@@H](NCc1ccc(SC)c(OC)c1)C(C)(C)C 809781883 CMHLFWDNLIINSG-OAHLLOKOSA-N 277.433 3.555 30 20 CHED CCCCCCCC(=O)N1CCC(F)(F)[C@@H](C)C1 811601790 PPZMSXJWYXJKQU-LBPRGKRZSA-N 261.356 3.851 30 20 CHED CCCCNN=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811637695 ICUYEIVNUBLGFF-UHFFFAOYSA-N 290.150 3.625 30 20 CHED N#Cc1ccc2c(c1)C(=NNc1cccc(F)c1F)CC2 811643145 VGEJGUXHSCKLBK-UHFFFAOYSA-N 283.281 3.599 30 20 CHED Cl/C=C\CON=Cc1cnc(-c2ccccc2)s1 811672073 PCOYGKPTZAYWBO-PLBVDPBDSA-N 278.764 3.913 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)C2 811695067 WSFSKVYPWMDLGA-VGOFMYFVSA-N 263.271 3.520 30 20 CHED C#C[C@H](NC(=O)/C=C(\C)CCC)c1ccc(Cl)cc1 811944995 MGPRXTFRTSHACP-RUMSDORHSA-N 275.779 3.877 30 20 CHED CSc1ccc(C(C)=NOCCOC(C)C)cc1 812238582 AICGTGWUNUCADM-UHFFFAOYSA-N 267.394 3.574 30 20 CHED N#C[C@H](C(=O)C[C@@H]1C=CCC1)c1cc(C(F)(F)F)ccn1 813211442 KNGAELIKBJVETC-PWSUYJOCSA-N 294.276 3.633 30 20 CHED CC[C@@H](C)CONc1nc(C(C)(C)C)ccc1C#N 813623110 VTTNORJRVJCFSS-LLVKDONJSA-N 261.369 3.640 30 20 CHED Cc1cccc([C@H](NC(=O)c2ccc(C#N)o2)C(C)(C)C)c1 814119170 CTBDORVWIWJBLA-INIZCTEOSA-N 296.370 3.977 30 20 CHED Cc1ccc(C)c(NN=C2COc3cc(F)ccc32)c1 814753163 HMIPSYNQDFFCFJ-UHFFFAOYSA-N 270.307 3.651 30 20 CHED CCCC(=NNc1cccc(OC)c1)c1cccnc1 814778541 KPEZRZBZAZYJHB-UHFFFAOYSA-N 269.348 3.707 30 20 CHED Clc1cncc(NN=C2CC[C@@H](c3ccccc3)C2)n1 814797283 FFEPSKBUMQASTF-GFCCVEGCSA-N 286.766 3.866 30 20 CHED CSCCCC=NNc1ncccc1C(F)(F)F 814801553 MZMFQDAHZPYILG-UHFFFAOYSA-N 277.315 3.641 30 20 CHED CCCNN=C(C)c1sc(-c2ccccc2F)nc1C 814804499 RNFIHIFUJADQGL-UHFFFAOYSA-N 291.395 3.981 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(-c2nccs2)cc1 814840911 UVDHFBDLLNMBNX-UHFFFAOYSA-N 294.326 3.960 30 20 CHED CC(CCCCCCC(=O)O)=NNc1cc(C)ccn1 814867545 JLFCZIHCFFAZAX-UHFFFAOYSA-N 277.368 3.603 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2nc(-c3cccnc3)no2)C1 814948124 ZOHQQZBIUWRYFP-OLZOCXBDSA-N 299.378 3.746 30 20 CHED Cc1cc(C#N)cnc1C(=O)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 815920539 KIRVDXZSIAWGFL-OWCLPIDISA-N 298.386 3.777 30 20 CHED C=CCC(F)(F)C(=O)OCc1ncc(C(C)(C)C)s1 816058535 SLZCASSFVVUGGM-UHFFFAOYSA-N 289.347 3.695 30 20 CHED Cc1ccoc1COC(=O)c1ccc(C(C)(C)C#N)cc1 816103074 JZHAGDQBMWSYSF-UHFFFAOYSA-N 283.327 3.746 30 20 CHED CCN(Cc1ccc2ccccc2c1O)C[C@H](C)C#N 816493274 VSTXIHBZXHYVIQ-CYBMUJFWSA-N 268.360 3.527 30 20 CHED C[C@@H](NN=C(CC(C)(C)C)C1CC1)c1ccncc1 819816798 PDJZTCKWJZQRLR-GFCCVEGCSA-N 259.397 3.934 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H]1CCO[C@H]1c1ccccc1 820639073 WODQWPMYZGDJOG-CVEARBPZSA-N 288.387 3.910 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1SC(F)F)C(C)C 821512939 IWICPJXREBYPNA-SNVBAGLBSA-N 298.358 3.781 30 20 CHED C#Cc1cccc(CNC2CCC(C(F)(F)F)CC2)c1 825226442 HJECFFISOQIYKI-UHFFFAOYSA-N 281.321 3.879 30 20 CHED C=CCC1(C(=O)NCC(C)(C)SC)CCCCC1 826535631 BIRWTKRNISOYRF-UHFFFAOYSA-N 269.454 3.771 30 20 CHED Cn1ncc(Cl)c1/C=C/C(=O)c1cccc(C2CC2)c1 834444474 FDCUOJCLWNZWQY-BQYQJAHWSA-N 286.762 3.847 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1csc(C)c1 834949256 SGOXDLWYQVMUDK-UHFFFAOYSA-N 288.376 3.876 30 20 CHED COCC(CC(C)C)=NNc1cc(C(F)(F)F)ccn1 834983558 BWOFNHSZYUDYHA-UHFFFAOYSA-N 289.301 3.561 30 20 CHED C=CCC[C@H](C(=O)O[C@@H](C)CC(C)(C)O)c1ccccc1 835417890 JRKFGUJHNIHXEK-HOCLYGCPSA-N 290.403 3.829 30 20 CHED CSCC[C@H](C)OC(=O)c1ccc(C(C)(C)C#N)cc1 835814375 UCJAKSFEKIRYKG-LBPRGKRZSA-N 291.416 3.786 30 20 CHED C=CCC1(CNC(=O)CCCOC(C)(C)C)CCCC1 836990588 JSWYVEABENCWEF-UHFFFAOYSA-N 281.440 3.834 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3ccncc3s2)C1 839059535 UEAVFRACSZLROR-ZYHUDNBSSA-N 286.356 3.535 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@@H]2CCCC2(F)F)c1 840710617 TUDCUUAHDOLSMO-PGQWVYTBSA-N 283.318 3.645 30 20 CHED CC(C)(C)c1ncc(/C=C\C(=O)c2cccs2)cn1 840712541 JFRYQBZXZNJYOW-SREVYHEPSA-N 272.373 3.732 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1nc(Cl)c(C#N)s1 841223742 NUGOQJIJQZOHKQ-DTWKUNHWSA-N 297.811 3.823 30 20 CHED CCCCC[C@@H](C(=O)NCC1(C#N)CCC1)C(C)C 841467191 OFVYVRIGENDMEB-CQSZACIVSA-N 264.413 3.649 30 20 CHED CCCC(C)(C)C(=O)OCc1ccc(F)c(C#N)c1 845357083 NKEJWXNEKSSXRZ-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C=CCC(C)(C)COC(=O)c1cn(C(C)C)nc1C 847716907 FKHIHJIJLSGUPY-UHFFFAOYSA-N 264.369 3.532 30 20 CHED CC[C@H](C)c1ccc(NC(=N)NCC2(CC#N)CC2)cc1 849025677 AWTCYIUICODEPR-ZDUSSCGKSA-N 284.407 3.830 30 20 CHED CC(C)(F)CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 849172057 LIUIXCZPBDGNMS-VIZOYTHASA-N 288.706 3.511 30 20 CHED Cn1ccc(C(=O)OCC2(CC#N)CC2)c1-c1ccccc1 849970980 YATPIROSVOXHNC-UHFFFAOYSA-N 294.354 3.543 30 20 CHED C/C(=C/C(=O)OCC1(C#N)CCCCC1)c1ccco1 850932069 HUUUPHYOIKLODE-RAXLEYEMSA-N 273.332 3.700 30 20 CHED C=C[C@H](OC(=O)[C@@H](OC)c1cccc(OC)c1)C(C)(C)C 851008126 LSEFAMKHZXAPII-GJZGRUSLSA-N 292.375 3.527 30 20 CHED C[C@H]1Cc2cc(COC(=O)C3(C#N)CCCCC3)ccc2O1 851365837 FDMHCRKPXLQXDM-ZDUSSCGKSA-N 299.370 3.527 30 20 CHED C=C[C@H](OC(=O)COC(C)(C)CC)c1ccccc1 851451715 LBRJRWFZIULOAJ-AWEZNQCLSA-N 262.349 3.662 30 20 CHED C=C[C@H](OC(=O)[C@H]1CC12CCSCC2)c1ccccc1 851452533 UJBCEHCSVGIDFU-CABCVRRESA-N 288.412 3.990 30 20 CHED C#C[C@@](C)(CC)NCc1csc(C2CCCC2)n1 852099038 CDRVNCSBYCDVFX-HNNXBMFYSA-N 262.422 3.692 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(C(F)(F)F)nn2C)oc1C 853008492 RVGYQSWJDKDBQZ-SNAWJCMRSA-N 298.264 3.545 30 20 CHED CC(C)CCN(CCC#N)Cn1ncc(Cl)c1C1CC1 853494976 NSIWYGYZXKCUGY-UHFFFAOYSA-N 294.830 3.633 30 20 CHED N#Cc1ccc(CNC(=O)OCC2CCCCC2)c(F)c1 858950640 OZDVGZUJQAOFFM-UHFFFAOYSA-N 290.338 3.504 30 20 CHED C[C@@]1(C(=O)OCc2cc(F)ccc2C#N)C[C@H]2CC[C@H]1C2 860189106 GLJNTAFTCPSHIY-PZSREKOKSA-N 287.334 3.567 30 20 CHED C=C(Br)CNC[C@H](C)c1ccc(C)cc1 862277373 XJXBRIMDQJAJKY-NSHDSACASA-N 268.198 3.597 30 20 CHED CCCCCCCNC(=O)[C@H]1CCOc2ccccc21 862360238 YJEHEGIMZWDYFB-HNNXBMFYSA-N 275.392 3.639 30 20 CHED CC(C)(C)OC(=O)N1CCC[C@@](C)(C=NOC2CCC2)C1 863114476 KSUCGTYZEQOAKL-INIZCTEOSA-N 296.411 3.579 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H](Nc2ccccc2)C1 879174724 DCJKUPMMPRJSQZ-MRXNPFEDSA-N 286.419 3.692 30 20 CHED C=CCN(C)C(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 879548355 BEEWRMDTTRQXFZ-UHFFFAOYSA-N 285.309 3.627 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1ccsc1 892557162 NGYUVJAXOQPIAS-UHFFFAOYSA-N 262.378 3.575 30 20 CHED C=CCC[C@@H](CC)Nc1cccc([S@@](C)(=O)=NC)c1 895736760 SKRVKUIIHCIPRP-BFUOFWGJSA-N 280.437 3.930 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@H](C)C2CCCCC2)CC1 899590921 JQMIBAUNAAAQQA-HNNXBMFYSA-N 293.451 3.523 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1coc(C(C)(C)C)n1 901403148 YOMCIMSWQSHHHU-GFCCVEGCSA-N 299.374 3.875 30 20 CHED CC[C@H](NCCCC(F)(F)F)c1cccc(C#N)c1 902825769 BHXUKEVPNUPEAL-ZDUSSCGKSA-N 270.298 3.941 30 20 CHED C=CCCC[C@H](N)c1nc([C@H](C)c2ccccc2C)no1 904632965 FAHCKVOUEGPGFT-HIFRSBDPSA-N 285.391 3.886 30 20 CHED CCC/C=C/C(=O)Nc1cccc(C#Cc2ccccn2)c1 915193523 FIKXAXQGKNBQHZ-NYYWCZLTSA-N 290.366 3.776 30 20 CHED CCc1ccc(C=NNCc2cccc3cccnc23)cc1 915960089 YBKYMLFHXVKPQV-UHFFFAOYSA-N 289.382 3.921 30 20 CHED Cn1c(NN=Cc2cc3ccccc3o2)nc2ccccc21 915971080 CCSAIPLEORAVSY-UHFFFAOYSA-N 290.326 3.766 30 20 CHED COc1cccc(/C=N\Cc2cc3ccccc3o2)c1O 915978222 CSJOVECJXPNFKG-ZDLGFXPLSA-N 281.311 3.766 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2)cc1 916267984 BTFNAGOSLJJICE-UHFFFAOYSA-N 258.296 3.670 30 20 CHED CCCCOc1ccc(/C=C\C(=O)c2cn(C)nc2C)cc1 917517475 GMCZQWFZBHKOGX-FLIBITNWSA-N 298.386 3.804 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2F)cc1F 917563948 TWEFPGYTFAULHK-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CC(C)CC/N=C\c1cc(Br)ccc1O 920946248 WLPUSTMCTDTQJG-ZSOIEALJSA-N 270.170 3.620 30 20 CHED Oc1ccc(C=NNc2cc(F)cc(F)c2)cc1Cl 921260273 VRMBFUSTPLTNAS-UHFFFAOYSA-N 282.677 3.770 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 933786146 MWLYJJOFWLLTIJ-CKEIUWERSA-N 257.377 3.808 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccnc(-c2ccco2)c1 935695603 AXBNDGNLZGKQMD-AWEZNQCLSA-N 282.343 3.522 30 20 CHED C=CC1CCN(C(=O)c2c(C)[nH]c3ccc(OC)cc23)CC1 1116338158 QRSQJEQWGHVELP-UHFFFAOYSA-N 298.386 3.523 30 20 CHED Cn1cc(C=NOC(C)(C)C)c(C2CCCCC2)n1 1116538512 QKPZWBMDAHDIRP-UHFFFAOYSA-N 263.385 3.617 30 20 CHED Cc1nc2ccccc2c(C(=O)OCC2(C#N)CCC2)c1C 1117803541 VEKBHTIPUSFMFC-UHFFFAOYSA-N 294.354 3.702 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2ncccc2C)CCCC1 1120815461 CBJNQEBFORUWJK-AWEZNQCLSA-N 272.392 3.704 30 20 CHED CCCCOc1ccc(C(=O)N(CC)[C@@H](C#N)CC)cc1 1121252995 KYUSKCLZZLAPMR-OAHLLOKOSA-N 288.391 3.630 30 20 CHED CCC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2OC)C1 1167509792 QBHIRZHOOPGQTK-SFHVURJKSA-N 286.419 3.969 30 20 CHED N#Cc1cc(F)ccc1CN1CCCc2cc(F)ccc21 1191711948 QYCJHSXXUKLRQC-UHFFFAOYSA-N 284.309 3.789 30 20 CHED N#Cc1ccnc(C(=O)Nc2cccc(Cl)c2Cl)c1 1264221217 LBKQZVKPUSKCDX-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(CC)[C@@H](C#N)CC 1289299974 XSWWOYAPDDWXQT-LSDHHAIUSA-N 264.413 3.744 30 20 CHED CCCCN1CCCC[C@@H]1CNc1cccc(F)c1C#N 1306946459 QKPCECRQFQKYJV-CQSZACIVSA-N 289.398 3.764 30 20 CHED N#Cc1sc(NC[C@H]2CCC[C@@H]2C2CC2)nc1Cl 1307141396 MDTMBGPYLSDVAH-NXEZZACHSA-N 281.812 3.906 30 20 CHED CCC[C@@H](NC(=O)Nc1cccc(C#N)c1C)C1CCC1 1310419508 STTWXSZROPYKJN-MRXNPFEDSA-N 285.391 3.957 30 20 CHED CC[C@H](CC(=O)Nc1ccc(OCC#N)cc1)C(C)C 1318314861 IETXKKZAEYUIFJ-CYBMUJFWSA-N 274.364 3.600 30 20 CHED Cc1cc(C#N)ccc1CSCc1cn2ccccc2n1 1320739997 QOWANBYBHYAUKE-UHFFFAOYSA-N 293.395 3.948 30 20 CHED Cc1cc(CSCc2nccn2C(F)F)ccc1C#N 1320880163 VMHDBBMLMOPCBM-UHFFFAOYSA-N 293.342 3.892 30 20 CHED Cc1coc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1C 1326613669 HIQCIPDDINUFFR-CYBMUJFWSA-N 282.343 3.601 30 20 CHED CSc1ccccc1C(=O)/C=C/c1c(C2CC2)cnn1C 1327016584 GIQLIAIQSNFWTK-MDZDMXLPSA-N 298.411 3.916 30 20 CHED C=C(C)CCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 1336025688 VCUTUDWZORRILU-GXTWGEPZSA-N 263.768 3.668 30 20 CHED Cc1ccc2c(CC(=O)O[C@@H]3CC[C@@H](C#N)C3)coc2c1 1344016538 GVDQIDZVMQDHCA-TZMCWYRMSA-N 283.327 3.519 30 20 CHED N#C[C@H](NC(=O)CCCCc1ccccc1)C1CCCC1 1350305603 PANNGHMVJNLNON-KRWDZBQOSA-N 284.403 3.598 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1 1436648659 IDONDNZOCFVDCQ-TTZDDIAXSA-N 275.392 3.828 30 20 CHED N#Cc1ccc(Oc2nc3cccc(F)c3o2)cc1 1458080083 WMDOCMMISAVKSG-UHFFFAOYSA-N 254.220 3.631 30 20 CHED N#Cc1cc(=N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc[nH]1 1458440174 WCOYPHAYKJNDKX-HIFRSBDPSA-N 297.789 3.777 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2cc(F)cc(C#N)c2)C1(C)C 1474666196 ISTOYWJUGSBOHR-LSDHHAIUSA-N 276.355 3.701 30 20 CHED CC(C)c1ncc(C(=O)O[C@H](CC#N)c2ccco2)s1 1526992062 IYDUYHDLGJXNEU-LLVKDONJSA-N 290.344 3.671 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@H](c2ccccc2)C2CC2)c1 1535455742 RYLXOFPQQPKOKD-QGZVFWFLSA-N 294.329 3.830 30 20 CHED CC[C@H](C)N(CC)Cc1ccc(Cl)cc1C#N 1559992011 NBFPMLNXOKHCNG-NSHDSACASA-N 250.773 3.832 30 20 CHED CC[C@@H](CC(=O)Nc1cc(C)cc(C#N)c1)C(C)C 1583754759 AQAPKDPSPNOGPL-AWEZNQCLSA-N 258.365 3.878 30 20 CHED CC(C)(C(=O)Nc1cc(C#N)ccc1F)C1CCCC1 1584674839 RSCJBTMITQOTPM-UHFFFAOYSA-N 274.339 3.852 30 20 CHED C=CCCCC(=O)Nc1ccc(C(C)C)cc1C(=O)O 1588783049 VTXNDXGPKXBSGD-UHFFFAOYSA-N 275.348 3.803 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](CC)C1 1593808073 NZJDJRYRWOEZPR-AAEUAGOBSA-N 296.846 3.780 30 20 CHED N#Cc1ccc(SC[C@H]2CCCC[C@@H]2C(=O)O)c(F)c1 1601113578 NMTWLAQMNLWYHE-NEPJUHHUSA-N 293.363 3.680 30 20 CHED O=C(O)c1coc(/C=C\C(=O)c2coc3ccccc23)c1 1602553573 JAGJYAYLGCSNQX-WAYWQWQTSA-N 282.251 3.620 30 20 CHED N#Cc1c(F)cccc1SC[C@H]1CCCC[C@H]1C(=O)O 1608194434 PLAYIOIPVYTVOI-GHMZBOCLSA-N 293.363 3.680 30 20 CHED Cc1ccccc1CN(C)C(=O)[C@@H](CC#N)c1ccccc1 1618013263 IJWCTQVYPKJVEV-SFHVURJKSA-N 292.382 3.651 30 20 CHED Cc1cccc(C)c1CN(C)Cc1ccc(F)cc1C#N 1620621848 YRRJPTVMYFWVIG-UHFFFAOYSA-N 282.362 3.946 30 20 CHED COc1cc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)ccc1C#N 1620973172 WPTYUCQITQLCAF-DZKIICNBSA-N 286.419 3.871 30 20 CHED Cc1cc(OCc2cc(F)ccc2C)ccc1C#N 1651955963 KCBDZFMFQQISQQ-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC[C@@H]1CCC[C@@H]1CNc1c(C#N)cccc1C#N 1655488236 WJOKMAICOWHKTC-IUODEOHRSA-N 253.349 3.668 30 20 CHED O=C(/C=C/c1c(F)ccc(C(=O)O)c1F)c1ccccc1 1776114556 SEHMOYMRJVZDHU-VQHVLOKHSA-N 288.249 3.559 30 20 CHED CC(C)c1ccccc1/C=C\C(=O)c1cncc(C(=O)O)c1 1776377764 PZISVJHPATUWQH-FPLPWBNLSA-N 295.338 3.799 30 20 CHED N#CC1(C(=O)Nc2ccc(Cl)cc2F)CCCC1 7334498 NEZIHRROBLTXOR-UHFFFAOYSA-N 266.703 3.502 30 20 CHED COc1cc(/C=C2/CCc3ccccc3C2=O)cc(OC)c1 12368638 IVNGYELMFVKLIV-DHDCSXOGSA-N 294.350 3.916 30 20 CHED CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1O 16407307 BUTZFKRWMXBGDJ-VQHVLOKHSA-N 298.338 3.696 30 20 CHED CCOc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 18054564 RJLFWKWKVGTTQN-UHFFFAOYSA-N 283.287 3.609 30 20 CHED C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(C#N)cc1 26120826 HRALBGPVFBBNNW-LLVKDONJSA-N 296.395 3.599 30 20 CHED N#Cc1ccc(Cl)cc1NCc1ccc2c(c1)OCO2 36954417 CUUIMNLVDZMUEA-UHFFFAOYSA-N 286.718 3.552 30 20 CHED N#Cc1ccc(NC2CCCC2)c(C(F)(F)F)c1 36973574 ZPXFFAFDGPYWRK-UHFFFAOYSA-N 254.255 3.932 30 20 CHED COc1ccc(F)cc1[C@H](C)NCc1ccc(C#N)cc1 37089811 KHMGZARRSMVPBM-LBPRGKRZSA-N 284.334 3.557 30 20 CHED CN(C)c1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 37393378 QNBSGRFLAYBXTM-UHFFFAOYSA-N 285.778 3.890 30 20 CHED N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 38144734 AIZSJPPOWZMURV-GFCCVEGCSA-N 295.729 3.706 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1ncc(C)s1 43385574 NQOLRSXIVRDCJU-UHFFFAOYSA-N 293.417 3.733 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(C#N)cc1 45027404 CFBHRAJRZUEHDQ-GFCCVEGCSA-N 297.333 3.922 30 20 CHED CC[C@H](C)Oc1ccc(Nc2ccc(C#N)cn2)cc1 48962638 LHHQAGKRMYPHEV-LBPRGKRZSA-N 267.332 3.874 30 20 CHED CCCCC[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 49099667 FYYFKPIECCCHSN-LLVKDONJSA-N 261.325 3.847 30 20 CHED C#Cc1cccc(NC(=O)c2csc(CC(C)C)n2)c1 49478363 FYOORIHCTOUZQK-UHFFFAOYSA-N 284.384 3.575 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2cccc(CC#N)c2)c(C)s1 49675560 LHMONBBUJIXRPR-GFCCVEGCSA-N 298.411 3.922 30 20 CHED CC(C)(C(=O)[C@H](C#N)c1ccccn1)c1ccc(Cl)cc1 54452430 SHEMGGHHKOPPNV-CQSZACIVSA-N 298.773 3.889 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 55206888 LRDMSDHTEHHUGD-DZGCQCFKSA-N 275.392 3.760 30 20 CHED C=C(C)CN(CC)C(=O)Cc1coc2cc(C)ccc12 57158095 QSWOGTOBHBDFBH-UHFFFAOYSA-N 271.360 3.708 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](C)CSC)c1 66771587 RYBFFCBTQXPTNM-LBPRGKRZSA-N 279.405 3.579 30 20 CHED C=CCN(CC=C)C(=O)NCCc1cccc2ccccc12 71935910 GXJNPIQBDYZWIE-UHFFFAOYSA-N 294.398 3.766 30 20 CHED C=C(C)CN(CC)C(=O)c1sc(C)cc1OC(F)F 74428372 DYGSRQWHCDHAFT-UHFFFAOYSA-N 289.347 3.696 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 75308301 ZENXDCVPOYAJEF-UONOGXRCSA-N 287.407 3.524 30 20 CHED CN(C(=O)Nc1ccc(F)c(C#N)c1)C1CCCCCC1 77500017 MJWCRDLUXBQLMP-UHFFFAOYSA-N 289.354 3.884 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ncccc2C#N)C1 77983819 RNGJSVJWACTLPD-GDBMZVCRSA-N 277.371 3.644 30 20 CHED C=CCN(C(=O)[C@@H](C)CC)c1nc2c(s1)CCCC2 78493126 FYJQUPLJNKHBPI-NSHDSACASA-N 278.421 3.587 30 20 CHED C#CC[C@@H](OC(=O)c1csc(-c2ccccc2)n1)C1CC1 79211372 ATISEHFRJXIKOA-OAHLLOKOSA-N 297.379 3.769 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 79716132 MEWXZJAKORBZFM-IAOVAPTHSA-N 284.403 3.904 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1cnn(C(C)C)c1 80152946 DGDDRQAIVSAQBB-UHFFFAOYSA-N 298.390 3.684 30 20 CHED N#CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 80215941 OZGKEDQCTPESCD-UHFFFAOYSA-N 293.754 3.516 30 20 CHED CN(Cc1ccccn1)c1ccc(C#N)cc1C(F)(F)F 91456284 SRZYNAFOQXLRSC-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C[C@@H](Nc1ccc(OC(F)F)cn1)c1cccc(C#N)c1 91729473 VITJYYOOFDJJAL-SNVBAGLBSA-N 289.285 3.728 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(O)c1 92261583 ROCKNFSGOCGRCL-UHFFFAOYSA-N 253.345 3.580 30 20 CHED N#Cc1cccc(Sc2snc(Cl)c2C#N)c1 92679501 GVWTXVUZDLGRBT-UHFFFAOYSA-N 277.761 3.691 30 20 CHED CC(C)(C)c1nc(CSCc2cccc(C#N)c2)no1 105630982 ZUXZSBRDXIWWPC-UHFFFAOYSA-N 287.388 3.672 30 20 CHED N#Cc1ccccc1NC(=O)c1csc(-c2ccoc2)n1 108150420 XZNVVZOVGBYPCC-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 110364141 OFMFFNRFRHCUFQ-JKSUJKDBSA-N 289.806 3.868 30 20 CHED C=CC1CCN(Cc2ccc(F)c3cccnc23)CC1 111259487 IRLBQYBTPUOLNF-UHFFFAOYSA-N 270.351 3.772 30 20 CHED C#CCCCCC(=O)Nc1ccc(OCC)c(Cl)c1 119637109 JYRYUSSEZGSMHC-UHFFFAOYSA-N 279.767 3.871 30 20 CHED CC(C)(C)c1ccc(C(=O)N[C@H](C#N)C(C)(C)C)s1 119790440 TVKDPOCMPYQNLK-LLVKDONJSA-N 278.421 3.714 30 20 CHED C=CCc1cc(CN2Cc3ccccc3C2)cc(OC)c1O 119953692 OBZDRWHCLMGSIR-UHFFFAOYSA-N 295.382 3.645 30 20 CHED C=CCC[C@H](NCC1(CCOC)CCC1)C1CC1 121677030 CSKRNSLEODEAIQ-HNNXBMFYSA-N 251.414 3.528 30 20 CHED CCCOc1ccc(Cl)cc1N[C@H](C#N)CC 122209094 ODWIGVJEOIJDOI-NSHDSACASA-N 252.745 3.843 30 20 CHED C=CCC[C@@H](O)CN(C)[C@@H](C)c1ccccc1Cl 123222284 VGNMHKGKNYXIEB-QWHCGFSZSA-N 267.800 3.660 30 20 CHED CC(C)c1ncc(/C=C/C(=O)c2ccc(O)cc2)s1 124849610 GPPCORHVCJDADF-BQYQJAHWSA-N 273.357 3.868 30 20 CHED CCOc1cccc(/C=N/[C@@H](CC)c2ccncc2)c1O 125133651 KRVSGPXXWPRTNR-UZUMKDMXSA-N 284.359 3.756 30 20 CHED CCCCCCCSc1nnc(C2CC2)n1C 125334550 YMUPWQFYMZFXAI-UHFFFAOYSA-N 253.415 3.755 30 20 CHED Cc1cc(C(=O)COc2cccc(C#N)c2)cc(C)c1F 125678239 DRQABAUFBLNWAF-UHFFFAOYSA-N 283.302 3.576 30 20 CHED COc1ccc(C#N)cc1CNc1cc(Cl)ccc1F 129248478 RACCDUIJKTWAFG-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1cccc(C)c1CNc1ccc(C#N)cc1F 130496107 APSDHSHKRZDVFU-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(C)(C#N)CCN1CCC[C@H]1c1cccc(F)c1 131213631 HJQSPPMHOPDJSJ-HNNXBMFYSA-N 260.356 3.902 30 20 CHED CC(C)c1sc(NC(=O)CC#N)nc1-c1ccccc1 132827741 CCEUUQOEZDCGJD-UHFFFAOYSA-N 285.372 3.786 30 20 CHED C=C[C@@H](CC(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 136092134 HBBQGZGGIVFWFY-ZFWWWQNUSA-N 296.395 3.988 30 20 CHED CC1(c2ccccc2)CCN(c2ccc(C#N)nc2)CC1 157590543 IAVBJZSBGQHPMH-UHFFFAOYSA-N 277.371 3.511 30 20 CHED Cc1ncc(COc2cc(Cl)ccc2C#N)s1 161658033 GXRJHQWWIIFGQZ-UHFFFAOYSA-N 264.737 3.556 30 20 CHED N#Cc1ccc(OCc2ccc(C#N)cc2Cl)cc1 162968755 ONHTZTBKLDMCCT-UHFFFAOYSA-N 268.703 3.662 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)Cc2cc(F)ccc21 172044874 MMUHMIUPZUTNQE-GHXNOFRVSA-N 283.258 3.556 30 20 CHED CC(C)(CCC#N)CNC[C@@H](c1ccccc1)N1CCCC1 174238230 JAKHIUVIEOBJPN-SFHVURJKSA-N 299.462 3.743 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 176907620 SFRQRXAWPVTTDR-LBPRGKRZSA-N 283.375 3.509 30 20 CHED CN(CCCCNCc1cc(C#N)cs1)c1ccccc1 177689284 AAPQJSUAFXMXDK-UHFFFAOYSA-N 299.443 3.626 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cc3ccccc3s2)C1 178788980 CGDNUUGNSQQZCA-ZYHUDNBSSA-N 271.341 3.750 30 20 CHED CCN(CC(C)C)C(=O)N[C@H](CCC#N)c1ccccc1 178795376 UDJBNPYNANDFRC-MRXNPFEDSA-N 287.407 3.719 30 20 CHED COCc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1F 181777446 ZKYJMCKXEJFQJL-ZDUSSCGKSA-N 298.361 3.695 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 182611685 YDBKVRWVHHRURY-NILFDRSVSA-N 293.357 3.929 30 20 CHED C#CCC(C)(C)C(=O)NC[C@@H](c1ccccc1)C(C)C 185040442 JFESPHJMGHVKHN-MRXNPFEDSA-N 271.404 3.592 30 20 CHED C#Cc1cccc(NC2CCN(C3CCCCC3)CC2)c1 188055020 HIZBFZAHGGMEAA-UHFFFAOYSA-N 282.431 3.877 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccsc1Cl 189345185 ACTLQMKZWBOGRZ-UHFFFAOYSA-N 258.774 3.831 30 20 CHED C=CCC1(C(=O)NCc2nc(C(C)C)cs2)CCC1 189475158 QZBVKEQAANBHFP-UHFFFAOYSA-N 278.421 3.629 30 20 CHED N#CCCCSCc1csc(-c2ccccn2)n1 190922568 ZJRNBYJXMHSBEI-UHFFFAOYSA-N 275.402 3.742 30 20 CHED C=C(C)COc1cccc(NCc2cccc(OC)n2)c1 191424821 ZEOMDMNJQPGPOS-UHFFFAOYSA-N 284.359 3.657 30 20 CHED C=CCC[C@H](CC)NC[C@@H]1CCN(Cc2ccccc2)C1 192935755 UYQSYXVLQIXNQG-OALUTQOASA-N 286.463 3.843 30 20 CHED COc1ccc2cc(CN(C)[C@H](C)CC#N)ccc2c1 193528965 NDKYOTQFEUJMLS-CYBMUJFWSA-N 268.360 3.582 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 200996843 VDIODNVHIOYSMU-MRXNPFEDSA-N 256.393 3.816 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc(C)o1 209107787 AEFIEXPSTAMSMK-SREVYHEPSA-N 256.301 3.801 30 20 CHED CSCCCCCCNCc1ccc(C#N)cc1F 230149059 UELUFKHNCOFLFX-UHFFFAOYSA-N 280.412 3.710 30 20 CHED N#Cc1ccnc(Nc2cc(C(F)(F)F)ccc2Cl)n1 231895841 YIKJGCNMXTWCCS-UHFFFAOYSA-N 298.655 3.764 30 20 CHED C[C@@H]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 237381036 BNKUNGFEHVVLKB-IUODEOHRSA-N 281.321 3.835 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2cccs2)cc1 237474000 PXFLXYUZOCWWEY-ZDUSSCGKSA-N 271.385 3.611 30 20 CHED COc1cccc(/C=C2/Cc3ccc(F)cc3C2=O)c1OC 255120903 CVQIBXZYGSELQJ-LCYFTJDESA-N 298.313 3.665 30 20 CHED COCc1cccc(/C=C\C(=O)c2cccc(C#N)c2)c1 255217283 PNRUEQXRGOQVBU-HJWRWDBZSA-N 277.323 3.601 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1ccc(OCC#N)cc1 264109463 IWENDYFYPNYIOS-HNNXBMFYSA-N 280.371 3.782 30 20 CHED CC(C)c1cnc(SCCC(C)(C)C#N)n1C 267036719 MIMMZAYMWVYRFY-UHFFFAOYSA-N 251.399 3.575 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H]1CCc2ccccc21 268203044 ZGOCELDHVULWSM-KRWDZBQOSA-N 269.388 3.901 30 20 CHED CCCCCCCCNC(=O)CCc1c(C)noc1C 269931954 GBJOWCSJVSTVLM-UHFFFAOYSA-N 280.412 3.701 30 20 CHED C[C@@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)CCO1 271225191 QMJZSDUIXCHHAZ-YVPOMQJGSA-N 288.174 3.685 30 20 CHED CCOc1ccc(C#N)cc1NCc1cnc(CC)s1 272680305 RUFKJTRCEQSLGB-UHFFFAOYSA-N 287.388 3.588 30 20 CHED CCN(CCC#N)C(=O)c1ccc(-c2ccc(C)o2)s1 272722356 KBXWPCITIZKMRS-UHFFFAOYSA-N 288.372 3.692 30 20 CHED C[C@H](CCN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 274209151 MZHBSBRGNQODRM-BFYDXBDKSA-N 256.393 3.852 30 20 CHED CC(C)(C)[C@H]1C[C@@H](Nc2cccc(OCC#N)c2)CS1 276835693 BSTUOMPOWAKPGZ-UKRRQHHQSA-N 290.432 3.921 30 20 CHED CC[C@H](CC#N)NCCCc1c(F)cccc1Cl 278483394 JXQYRDBCOCPWQM-LLVKDONJSA-N 268.763 3.694 30 20 CHED Cc1csc(-c2ccc(NC(=O)CC(C)(C)C#N)cc2)n1 278694258 JEHLFLCFXUIXAT-UHFFFAOYSA-N 299.399 3.997 30 20 CHED Cc1ccsc1CNC(=O)c1ccc(C(C)(C)C#N)cc1 280675110 UMQIDCBLYGZOET-UHFFFAOYSA-N 298.411 3.788 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1ccc(OC)cc1 281030493 HWCNYPDTJLHUGH-HIFRSBDPSA-N 275.392 3.660 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc2cc(OC)ccc2c1 286096732 MJWUMQPRBRODEU-SFHVURJKSA-N 297.354 3.831 30 20 CHED CC1(C)CCCN(C(=O)c2sccc2Cl)[C@H]1C#N 287054192 LTRPLRHFNZTTAZ-JTQLQIEISA-N 282.796 3.556 30 20 CHED C=C(CNC(=O)N(C)[C@H](C)CCC)c1ccccc1 287966952 IKBKWPLBNOJZHK-CQSZACIVSA-N 260.381 3.530 30 20 CHED C=CCCO[C@@H](C)c1nc(CC2(C)CCCC2)no1 289076993 JBUNZSQDFQIUSR-LBPRGKRZSA-N 264.369 3.846 30 20 CHED N#CC1(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CCCCC1 294451753 ZWSUJKSFHPVUPA-OAHLLOKOSA-N 298.386 3.603 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(COCC2CC2)c1 294630395 FYRPTLGUEFKWTR-UHFFFAOYSA-N 273.376 3.764 30 20 CHED CC(C)C[C@H](C)OC(=O)N(CCC#N)Cc1ccco1 295693803 DQUSBNIBSUHDJA-ZDUSSCGKSA-N 278.352 3.566 30 20 CHED N#Cc1ccnc(NCC2CCCCCCC2)c1[N+](=O)[O-] 301624998 GTJOGJXFNZAXCP-UHFFFAOYSA-N 288.351 3.634 30 20 CHED COc1cc(C)cc(CNc2c(F)cc(C#N)cc2F)c1 301769041 CPLXPENXUYJZCG-UHFFFAOYSA-N 288.297 3.766 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccc2ncsc2c1 302849565 PFDHXHNEHMKYSN-UHFFFAOYSA-N 276.324 3.783 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 303689433 UYQPUTVJJXLEMA-SOFGYWHQSA-N 285.274 3.938 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 303804335 HJBPPWBFPTVUQL-SWLSCSKDSA-N 271.364 3.649 30 20 CHED N#Cc1ccc(N[C@H]2CCC(F)(F)C2)cc1Cl 310465736 GSBPHSQEMWYWFY-JTQLQIEISA-N 256.683 3.811 30 20 CHED C[C@@H](/C(O)=N/CCOC1CCCCCC1)c1ccccn1 328792642 RMIHFVTYLPUPRG-CQSZACIVSA-N 290.407 3.881 30 20 CHED Cc1nnc([C@H](C)/N=C(/O)C[C@H]2C[C@H]3CC[C@H]2C3)s1 329769005 FCVXUAOLEMVBNU-PDEGPIFNSA-N 279.409 3.690 30 20 CHED CC1CCC(C/N=C(/O)[C@H]2CCC(=O)c3cccn32)CC1 329869239 YMNIXLIQOKUEMH-SSDMNJCBSA-N 288.391 3.789 30 20 CHED Cn1c(N=C(O)[C@@H]2C[C@H]2C2CCCCC2)nc2cccnc21 330315208 YMVIUKVKKYYEGB-QWHCGFSZSA-N 298.390 3.773 30 20 CHED CNc1ccc(Cl)c(/C(O)=N/C[C@@H]2CCO[C@@H](C)C2)c1 331241344 MUBNXTPMITVTPS-WDEREUQCSA-N 296.798 3.501 30 20 CHED N#C[C@H](NC(=O)CC1CCCCCC1)c1ccc(F)cc1 332024068 RAYWHDIFMPDGGL-INIZCTEOSA-N 288.366 3.867 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1cc(C)no1 332373892 DNPMBDSOGZFERE-JSGCOSHPSA-N 291.395 3.574 30 20 CHED CC[C@H](c1ccc(C#N)cc1)N1CCC[C@]2(CCOC2)C1 334531012 NGVCAVAAVIXYBP-MSOLQXFVSA-N 284.403 3.512 30 20 CHED Cc1ccc(NC(=O)N(C)CC(C)(C)C#N)c(Cl)c1 334675738 KNYGLHVIQRPNPH-UHFFFAOYSA-N 279.771 3.662 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CC(C)(C)C1 335075710 IZTYEWIHCPPDKP-GFCCVEGCSA-N 270.376 3.514 30 20 CHED C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CC(C)(C)C#N 335165452 NHHZWGBPEQFNET-VXGBXAGGSA-N 288.366 3.600 30 20 CHED N#C[C@H]1CC[C@@H](NC2(c3ccc(Cl)cc3)CC2)C1 336170915 LGJXSUBMXASZDJ-SMDDNHRTSA-N 260.768 3.611 30 20 CHED C[C@@H](NC(=O)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 336418832 ADLRMMWQTCXERO-CYBMUJFWSA-N 293.370 3.557 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc2scnc2c1 337940064 AZTRXRKURSGLGD-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@@H](NCc1nc2ccc(F)cc2o1)c1ccc(C#N)cc1 338378789 UCYXCKFGYWQUEG-LLVKDONJSA-N 295.317 3.689 30 20 CHED C=CCOCCS[C@H](C)c1ccccc1OC 338550293 AMFCNWDMYPGGLD-GFCCVEGCSA-N 252.379 3.692 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(NC(=O)CC)cc1 341365276 GJARYLCNEFAWAY-GFCCVEGCSA-N 289.379 3.511 30 20 CHED C=CCC[C@H](NCc1cc(C)n(C)n1)c1ccccc1 341929155 MDCFEQNLBRABHZ-KRWDZBQOSA-N 269.392 3.526 30 20 CHED Cc1ccc2oc(SCc3ccccc3C#N)nc2n1 342455361 YIOLNQYUTRHASY-UHFFFAOYSA-N 281.340 3.695 30 20 CHED C=CCCCC(=O)N(CC(=C)C)Cc1cnn(C(C)C)c1 342553934 VZSQJFVVBJODHA-UHFFFAOYSA-N 289.423 3.725 30 20 CHED CC(C)(CCC#N)CNC[C@@H]1SCCc2ccccc21 344776131 OTTJNHZJVIXUPG-INIZCTEOSA-N 288.460 3.937 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC1CC1)c1ccc(Cl)cc1 345275116 FAQCRADQVQNEAS-PBHICJAKSA-N 293.838 3.955 30 20 CHED C=C(C)CCc1noc(/C=C\c2scnc2C)n1 347209324 GLOBLAMCIFYBOX-ALCCZGGFSA-N 261.350 3.514 30 20 CHED N#CCN(Cc1ccc(Br)cc1Cl)C1CC1 352735752 IUVJRXMDCLLXAD-UHFFFAOYSA-N 299.599 3.590 30 20 CHED CCc1cnccc1[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 353264205 XKXKJPNRAFSRGU-YJYMSZOUSA-N 291.398 3.854 30 20 CHED N#Cc1ccc(SCc2ncoc2C2CC2)c(F)c1 356182077 UXEDUFYQDKTLQP-UHFFFAOYSA-N 274.320 3.855 30 20 CHED CSCCCN(C)c1ccc(C#N)cc1C(F)(F)F 357682218 CWDBDQFMTKRFMU-UHFFFAOYSA-N 288.338 3.766 30 20 CHED CS[C@H](C)CCC(=O)Nc1ccc(Cl)c(C#N)c1 358474627 OCHFIEGPFMHPKM-SECBINFHSA-N 282.796 3.682 30 20 CHED COc1cc(CSCCCC#N)ccc1OC(F)F 359043604 DZTGQWPNKDYULH-UHFFFAOYSA-N 287.331 3.834 30 20 CHED C=CCC1(C(=O)N2CC[C@@H]2Cc2ccccc2)CCC1 359414948 PONQMBNEIOGRGU-MRXNPFEDSA-N 269.388 3.576 30 20 CHED C=CCN(C(=O)Nc1ccnn1[C@H](C)CC(C)C)C1CC1 360525378 ADYPZJGLWNANEH-CYBMUJFWSA-N 290.411 3.673 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCC1CCC1 360647595 NIMNNQIQGWAKAV-KRWDZBQOSA-N 254.377 3.715 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)Cc2cc(C#N)n(C)c2)c1 361509084 STKAFKSOBGZRBX-HNNXBMFYSA-N 281.403 3.707 30 20 CHED Cc1cc([C@H](C#N)C(=O)c2ccc(Cl)cc2C)nc(C)n1 361672098 QOGNOSZSYVYORN-AWEZNQCLSA-N 299.761 3.545 30 20 CHED C=C(C)CN(CC)C(=O)C1CC(c2cccc(F)c2)C1 363443605 XEFYLYXZBOKECW-UHFFFAOYSA-N 275.367 3.744 30 20 CHED N#CCCCCN1CCC(c2ncccc2Cl)CC1 373790220 ZNRGYTVICQWFNG-UHFFFAOYSA-N 277.799 3.608 30 20 CHED C=CCC(C)(C)CN[C@@H](CC)c1ccc(F)cn1 386776657 JEZDPKZTZVQMQJ-ZDUSSCGKSA-N 250.361 3.864 30 20 CHED CCC(C)(C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 395952457 LJXIYENCXCVZTM-UHFFFAOYSA-N 299.296 3.887 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 399080871 POQGGUXYSFGPFG-HNNXBMFYSA-N 264.372 3.912 30 20 CHED Cc1ccc(C[C@@H](C)NCc2ccc(C#N)c(F)c2)s1 404270490 ZAAZAMNXBLRPBY-LLVKDONJSA-N 288.391 3.788 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cccc2ccc(OC)cc12 410118362 HPNNMVFGGMAJEQ-INIZCTEOSA-N 297.398 3.862 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H]1CCOC 414291612 BJGDEFQTNOFZQP-IPMKNSEASA-N 287.447 3.969 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@H]1C 416770757 XPLSSOPUUNNTCU-RDBSUJKOSA-N 299.418 3.996 30 20 CHED C=CCOCCSCc1ncc(-c2ccccc2)o1 419357407 HOFFEMABVYGZGM-UHFFFAOYSA-N 275.373 3.777 30 20 CHED CC(C)C1CCC(N(C)C(=O)NCC2(C#N)CCC2)CC1 419630064 SKDMPWYVKHJURK-UHFFFAOYSA-N 291.439 3.536 30 20 CHED COc1cc2ccccc2cc1CN[C@@H]1CC[C@H](C#N)C1 424200010 LTRRFVLUXVTNBF-SUMWQHHRSA-N 280.371 3.630 30 20 CHED C=C(C)C(C)(C)C(=O)N(CC)Cc1cccs1 424546219 SBGIQGFHECIDFE-UHFFFAOYSA-N 251.395 3.699 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](Cc1ccccc1)C1CC1 424691483 ZLKCUROTJBQIJS-MRXNPFEDSA-N 271.404 3.726 30 20 CHED C=C(C)CNC(=O)NCc1ccc(Oc2ccccc2)cc1 428675183 LBQWCWIQYJUOKC-UHFFFAOYSA-N 296.370 3.854 30 20 CHED N#Cc1cc(F)ccc1CN(C1CCC1)C1CCC1 429140542 HQHMBKKQXWEZQV-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C=CCOc1cccc(CNC[C@@H]2CCC(F)(F)C2)c1 430026552 PXRAJWFLZLGQQV-CQSZACIVSA-N 281.346 3.776 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)cc(C)c(=O)n2C 430217745 LMNUTUMHKSKVIU-GXTWGEPZSA-N 284.403 3.860 30 20 CHED C=CCCCN1CC[C@H](OCCCc2ccccc2)C1 430912669 NHZBKEZNHOXOIF-SFHVURJKSA-N 273.420 3.676 30 20 CHED Cc1cc([C@@H](C)Nc2ncccc2C#N)ccc1F 433613052 RPOANBOOBAIZNQ-LLVKDONJSA-N 255.296 3.574 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(OC)c(C)cc1C 434893141 AKEQRPOUGUTBCO-CQSZACIVSA-N 288.391 3.884 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc2sc(C)nc2cc1Cl 435188291 MXXIZPYGPLMEET-ZETCQYMHSA-N 295.795 3.954 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CC1CCC1)c1ccccc1 436198882 ODVZPVRJVWENSY-UHFFFAOYSA-N 294.354 3.907 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)CC1 437453618 YBOAZKFTYQCJQF-HDJSIYSDSA-N 287.378 3.934 30 20 CHED COc1cc(CN2CC[C@H]2c2ccccc2)ccc1C#N 442799888 LKJHGRSJWNWUAQ-KRWDZBQOSA-N 278.355 3.514 30 20 CHED CC(C)n1cnnc1S[C@H](C)c1cccc(C#N)c1 442901604 KYGWSZGXFSYRPO-LLVKDONJSA-N 272.377 3.584 30 20 CHED Cc1cc(CNCCO[C@H]2CCCC[C@H]2C)ccc1C#N 443969130 RKOGCDYBSYHAHY-KDOFPFPSSA-N 286.419 3.552 30 20 CHED Cc1cc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1C#N 443997670 YDBQOUFNPZUCPO-LZLYRXPVSA-N 268.404 3.925 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc(O)cc3Cl)no2)c1 445449205 URBCNJFYSDYZOI-UHFFFAOYSA-N 297.701 3.634 30 20 CHED CCOc1ccccc1CN(C)CC#Cc1ccc(F)cc1 446761050 MLJIXYPWNZGKRW-UHFFFAOYSA-N 297.373 3.708 30 20 CHED COc1ccc(CN(C)CC#Cc2ccc(F)cc2)cc1C 446838655 KTYYZZPKOUPKLV-UHFFFAOYSA-N 297.373 3.626 30 20 CHED CC[C@@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc(C#N)cc1 447538320 BAFNSJILHQIMTH-IFXJQAMLSA-N 294.398 3.936 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3ccccc32)CCCC1 449204044 LVOVVDYQCAIZCZ-INIZCTEOSA-N 269.388 3.927 30 20 CHED CC1(C#N)CCC(NCCc2ccc(F)c(F)c2F)CC1 449235711 VPDVWBXGKUWSNJ-UHFFFAOYSA-N 296.336 3.708 30 20 CHED Cc1cnc([C@@H](C)CNC2CCC(C)(C#N)CC2)s1 449239804 WUZLVNYCTZAHDJ-ZOODHJKOSA-N 277.437 3.617 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)C1CCCC1 449298587 IFLYSHLUVSTVJX-PMPSAXMXSA-N 251.414 3.526 30 20 CHED CC(C)(CNc1ccc(C#N)c(Cl)c1)c1ccccn1 450610039 GGWYDJWVONXCMZ-UHFFFAOYSA-N 285.778 3.996 30 20 CHED Cc1ccnc(N2CC(c3cccc(Cl)c3)C2)c1C#N 450830877 SASLBUWTUJIRLK-UHFFFAOYSA-N 283.762 3.519 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 451002375 JEPKSMWNPBOHBL-JKSUJKDBSA-N 271.404 3.726 30 20 CHED N#Cc1cc(F)ccc1CN[C@H]1CCC12CCCC2 451452776 DXRXNMXIMHTUHJ-HNNXBMFYSA-N 258.340 3.510 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1cccc(C#N)c1 454207635 TVSOCFGNDRLBQN-LLVKDONJSA-N 259.353 3.504 30 20 CHED C[C@H]1CC=C(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 455551172 SISHUULZQYQPFG-NHYWBVRUSA-N 288.778 3.767 30 20 CHED C=CCSCCNC(=O)Nc1cccc(OC(C)C)c1 455789742 YHPQLQSEBMILDK-UHFFFAOYSA-N 294.420 3.515 30 20 CHED CC(C)(C#N)C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 456786469 XHTLXBAODUUURT-CVEARBPZSA-N 284.403 3.626 30 20 CHED C=C[C@H](CC(=O)NCc1ccc(C)c(C)n1)c1ccccc1 458016611 VLFMATOPYYTVNZ-MRXNPFEDSA-N 294.398 3.675 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@@]1(C)C(C)C 459257546 UEZLSYWXDPFWMJ-ZBFHGGJFSA-N 292.448 3.880 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(Cc3cccc(Cl)c3)CC2)C1 459648788 AOASLFBSHZGFMX-GOEBONIOSA-N 288.822 3.945 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCc2cc(F)c(F)c(F)c21 459731330 NMDHHMCUTQYQBA-LLVKDONJSA-N 282.309 3.621 30 20 CHED C=CCOc1cccc(CN[C@H](C)CC(F)(F)F)c1 463714445 BJWBSDXJTINVBO-LLVKDONJSA-N 273.298 3.682 30 20 CHED C=C[C@@H](C)NC(=O)CSc1cc(Cl)ccc1Cl 465108740 LRZQUVUEMMINJD-MRVPVSSYSA-N 290.215 3.776 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1OC(F)(F)F 466382841 ZPOLUBMPPOONQL-UHFFFAOYSA-N 288.269 3.625 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)c1ccc(C#N)s1 466771713 NJEMAWYVYHCIRG-GFCCVEGCSA-N 276.405 3.661 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](C)c1cc(C)ccc1C 472576752 HWIKVSKODYFKHZ-HZPDHXFCSA-N 261.409 3.623 30 20 CHED N#Cc1ccc(CN2CCOc3c(Cl)cccc32)s1 475141678 WIRWAWYPEHXCKE-UHFFFAOYSA-N 290.775 3.672 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1cc(C#N)ccc1C(F)(F)F 475430860 SCKLDDZMSVFCPG-PWSUYJOCSA-N 298.308 3.947 30 20 CHED C=CC[C@H](C(=O)Nc1cccc2c1CCO2)c1ccccc1 477742215 LBJNDPXSTGRVRW-HNNXBMFYSA-N 293.366 3.920 30 20 CHED C=C(C)[C@H](N[C@@H](CC)C(=O)OCC)c1ccc(F)c(F)c1 481616600 VUNGHOLFZMDQOV-GJZGRUSLSA-N 297.345 3.513 30 20 CHED C=CCCCC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 482222583 GHOLUBXZIVZAOB-RYUDHWBXSA-N 277.330 3.828 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(C#N)s1)C2 486624956 BYNBYZJIBXKODC-WNMQOVRZSA-N 288.416 3.564 30 20 CHED C=C(C)CNC(=O)NCC1(c2cccs2)CCCCC1 488553311 DSBUIPAGORIEPC-UHFFFAOYSA-N 292.448 3.825 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@]2(CC=CCC2)C1 488964312 IGCLSCTZFRZQHB-SFHVURJKSA-N 284.403 3.637 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(OC(C)C)cc1 489073936 LZEFFRYXEKSULZ-UHFFFAOYSA-N 284.359 3.714 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(Cl)c1OC 490061793 KVNIPPVBNJEEHN-UHFFFAOYSA-N 290.750 3.588 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CC1(C)C 491250813 UQFMTYVITSJGNR-AWEZNQCLSA-N 290.382 3.569 30 20 CHED C=CCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 494644562 CIYKPVSKPQHZFV-UHFFFAOYSA-N 296.370 3.535 30 20 CHED N#Cc1ccc(SC/C=C/c2ccccc2)nc1 495268275 UOMAOACAHPZXRE-QPJJXVBHSA-N 252.342 3.759 30 20 CHED C=C(C)CN(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 497147404 NWEHQWPFAIFHJX-UHFFFAOYSA-N 262.353 3.726 30 20 CHED CCCOc1cccc(CNc2cc(C#N)ccc2OC)c1 500975821 SZYKVIJVIUKYKK-UHFFFAOYSA-N 296.370 3.968 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(Cl)c(F)c1 501015633 CDACQVPTVZACCK-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 502475789 WVQGXTVEGSBGAT-CORIIIEPSA-N 285.391 3.813 30 20 CHED N#Cc1ccc(N2CCC[C@H]2/C=C/c2ccccc2)cn1 503311459 LIIZVMMBKZJYIT-VMSUTVGLSA-N 275.355 3.635 30 20 CHED C[C@H]1CC(C(=O)N[C@H](C#N)C2CCCCC2)C[C@H](C)C1 504564112 TVUNCGPAIAKNSN-XJKCOSOUSA-N 276.424 3.647 30 20 CHED C=CCOc1ccc(CN(CC)CC)cc1Cl 505283837 QYAUTMWMYSSJEU-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C=C(C)CCSCc1nc(-c2cccs2)no1 507100081 CFFVNITYAWYGBH-UHFFFAOYSA-N 266.391 3.998 30 20 CHED C=C(CNC(=O)N(C1CC1)[C@H](C)C(C)C)c1ccccc1 512681573 PFAQWZGPMJRPIA-OAHLLOKOSA-N 286.419 3.918 30 20 CHED CCC(C#N)(CC)c1nc(CC2CCCCC2)no1 528114398 MKWVNRUUMMKFLX-UHFFFAOYSA-N 261.369 3.774 30 20 CHED Cc1cc(C#N)ccc1OCCCCOC(C)(C)C 530489046 JTKIDEGKPFEYRG-UHFFFAOYSA-N 261.365 3.841 30 20 CHED C=C(CC)CSCc1nc(-c2cccs2)no1 537994064 ZQQRJKYDAYGDCS-UHFFFAOYSA-N 266.391 3.998 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(CC(C)C)cc1 538195300 QBUBFERTVIMNOX-DOTOQJQBSA-N 275.436 3.720 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCC(C)(C)C1 538286388 ORMGDMFLLTZRDG-QWHCGFSZSA-N 252.402 3.609 30 20 CHED Cc1cc(C)cc(OCCN[C@H](C)c2ccc(C#N)cc2)c1 538393960 YLZIAUFOKWDGBJ-MRXNPFEDSA-N 294.398 3.905 30 20 CHED N#Cc1cc(C(=O)N[C@H]2CC23CCCCC3)ccc1Cl 541595862 UCQNVZIOONTVSQ-AWEZNQCLSA-N 288.778 3.664 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2F)CC(C)(C)C1 543182825 ZSSFPGKSPSVBGT-LBPRGKRZSA-N 260.356 3.565 30 20 CHED Cc1cc(CNC(=O)Nc2ccc(C#N)cc2)ccc1Cl 543535138 UPVUGRRNPBGJCP-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2F)CC(C)(C)C1 544117968 SUFNWYPLRAIVDQ-GFCCVEGCSA-N 260.356 3.565 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](COC)C(C)C)c1ccccc1 548289539 DKDILOLBSKWRLF-SJORKVTESA-N 289.419 3.524 30 20 CHED N#Cc1cc(C(=O)Nc2cccc3ocnc23)ccc1Cl 556437825 FFLQYKYPKITLEO-UHFFFAOYSA-N 297.701 3.605 30 20 CHED C=CCC1(NC(=O)c2ocnc2C2CC2)CCCCC1 556676301 JAMJNRICRQEOPW-UHFFFAOYSA-N 274.364 3.561 30 20 CHED COc1cc(C#N)ccc1CN1CC(C)(C)[C@@H]2CCC[C@H]21 559431285 AZZLDTJWMDGIHT-HZPDHXFCSA-N 284.403 3.577 30 20 CHED CC(C)(C#N)CCCN1CCC(CC(F)(F)F)CC1 560169205 MMIIEQKHYBDQNN-UHFFFAOYSA-N 276.346 3.981 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 560580941 LQZLTEMXLDSCOY-RWMBFGLXSA-N 257.381 3.814 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(C=C)cc1 560889043 AZVDBHFBWHDECZ-UHFFFAOYSA-N 257.377 3.591 30 20 CHED C=C(C)C[C@H](C)c1nc(CCc2ncccc2C)no1 562793405 WRTBHAZBLAKEJQ-ZDUSSCGKSA-N 271.364 3.628 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1CC12CCCCC2 563770364 NKIAKPNBWVKOQP-CQSZACIVSA-N 268.360 3.662 30 20 CHED Cc1cccc([C@H](C)CNc2ccc(C#N)c([N+](=O)[O-])c2)c1 564567679 MGQLIZTZOBHBSA-CYBMUJFWSA-N 295.342 3.991 30 20 CHED CC(=O)c1c(F)cccc1N1CCC(CCC#N)CC1 569571890 SESGMCDAWMWFHF-UHFFFAOYSA-N 274.339 3.548 30 20 CHED Cc1csc(NC(=O)N[C@H](C)c2ccccc2)c1C#N 570890763 GDVZSNDGOYGCLZ-LLVKDONJSA-N 285.372 3.811 30 20 CHED C=CCCCCN(c1ccccc1F)S(=O)(=O)C(C)C 571303441 AQBGNIMNXLDAAE-UHFFFAOYSA-N 299.411 3.727 30 20 CHED C=CCOCCCOc1ccnc(-c2cccc(F)c2)c1 574203306 PQXFLIGEHUUUDT-UHFFFAOYSA-N 287.334 3.859 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccoc2CC)cc1 576118614 SZVVPTSFIRWZBI-MRXNPFEDSA-N 296.370 3.741 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@H]1NC[C@@H](C#N)CCC#N 581999178 ZADFOXLBVUZLQK-AYBZRNKSSA-N 295.430 3.979 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)C(=O)CCCCCC#N 588746588 XSLBILTUXQQNDT-CYBMUJFWSA-N 276.355 3.819 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(CCCCCC#N)n1 589122049 GBKPISSLSHLIPF-STQMWFEESA-N 261.369 3.990 30 20 CHED Cc1cc(NC(=O)CCCC#N)cc(C(F)(F)F)c1 589712598 ADKFAIPRFYXMQW-UHFFFAOYSA-N 270.254 3.646 30 20 CHED C[C@@H](NC(=O)N(C)CCC(C)(C)C)c1ccc(C#N)cc1 591910724 GXIKOFQLDJHLEM-CYBMUJFWSA-N 287.407 3.697 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1ccc2c(c1)CCCCC2 593271461 CGYOJXCZUUVLPF-ZDUSSCGKSA-N 285.391 3.579 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc(Cl)ccc1OC(C)C 594087192 BNVZVPWJTZETGX-LBPRGKRZSA-N 294.782 3.501 30 20 CHED C=CCCSCCN[C@H]1CCc2c1ccc(OC)c2F 595059088 KWDLZSYZXIRBFX-AWEZNQCLSA-N 295.423 3.721 30 20 CHED COc1ccccc1[C@@H]1CCN([C@@H](C#N)c2ccccc2)C1 595327010 BSJBQKSXALYPAC-AEFFLSMTSA-N 292.382 3.749 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 595438871 ITOQJZKTYWGUFH-RDJZCZTQSA-N 299.418 3.863 30 20 CHED COCc1ccc([C@H]2CCCN2[C@H](C#N)c2ccccc2)o1 595443762 XVWXBBJOWORPIV-IAGOWNOFSA-N 296.370 3.828 30 20 CHED C[C@@H](SCCc1ccc(C#N)cc1)c1nc(C2CC2)no1 596333851 MBLRCRDFSVMLOL-LLVKDONJSA-N 299.399 3.856 30 20 CHED CC(C)c1nc(CSCCc2ccc(C#N)cc2)no1 596340929 WRPCDTQVHHIEAH-UHFFFAOYSA-N 287.388 3.541 30 20 CHED Cc1cc(C)cc(CC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 597325211 IONJUTPIFGLGOJ-HNNXBMFYSA-N 292.382 3.595 30 20 CHED C=CCCSCCNC(=O)c1cc(SC)ccc1C 597970517 JBDKZOWKBQVRQA-UHFFFAOYSA-N 295.473 3.756 30 20 CHED Cc1cccc2cc(C(=O)N(C3CC3)[C@@H](C)C#N)sc12 598135253 RFGGBHGJVFBEQQ-NSHDSACASA-N 284.384 3.726 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3ncccc32)cc1Cl 601279837 JVTNMYZLLGQIBK-QGZVFWFLSA-N 297.789 3.774 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)N(CC#N)c1ccc(F)cc1C 602392185 KIFIQQUTIOBXDA-ZFWWWQNUSA-N 288.366 3.817 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)CCOCc1ccccc1 602661689 IJEJQDKNBJWVPR-JKSUJKDBSA-N 274.408 3.511 30 20 CHED C[C@@H](CC#N)Nc1ncnc2sc3c(c12)CC[C@@H](C)C3 604564614 SYLHHNXKWWNPBY-ZJUUUORDSA-N 286.404 3.530 30 20 CHED CC[C@H](CC(=O)N(C)c1ccc(C#N)cc1F)C(C)C 609216941 XLKNGKYXAFZHJU-CYBMUJFWSA-N 276.355 3.732 30 20 CHED C[C@H](NC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C)c1cccc(C#N)c1 610351382 RNMFFPTZQGZPKW-FHIRATQRSA-N 299.418 3.743 30 20 CHED Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 618741245 CNDQDBJOQYQJOE-MRXNPFEDSA-N 268.385 3.705 30 20 CHED C=CCC1(NC(=O)CCCc2nc(C)cs2)CCCC1 619110955 RYOACIZDVZWGOR-UHFFFAOYSA-N 292.448 3.779 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(C(C)=O)cc1F 620857573 AZWAXNZWNOCHQN-UHFFFAOYSA-N 277.339 3.503 30 20 CHED C=CCN(C(=O)c1ccc2nc(C)ccc2c1)C(C)(C)C 622944005 AIQWYWWBIAMKLH-UHFFFAOYSA-N 282.387 3.970 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(C)c(C)[nH]1 628255448 NAAFKHQKLMATAM-UHFFFAOYSA-N 269.392 3.605 30 20 CHED CCO[C@@H](C)C(=O)Nc1cccc(C#Cc2cccs2)c1 642362274 FPTCYDVCLYVDKF-ZDUSSCGKSA-N 299.395 3.511 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1c[nH]c2ccc(F)cc12 644962017 MABMELMFNPZZRE-UHFFFAOYSA-N 288.366 3.568 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 648802203 YSWQCAXXVFFORO-ZFWWWQNUSA-N 257.377 3.808 30 20 CHED C=CCC1(NC[C@@H]2CCC[C@@H](C)C2)CCOCC1 657633234 KLHKELUQRRHTCK-HUUCEWRRSA-N 251.414 3.528 30 20 CHED C=CCCN[C@H](C)Cc1ccc(C(F)(F)F)cc1 658115245 ABFRKXRTFQXDOK-LLVKDONJSA-N 257.299 3.802 30 20 CHED C=CCN(Cc1ccc(C(C)C)nc1C)[C@H](C)COC 661239313 FJGQQZVSYZHFFM-CQSZACIVSA-N 276.424 3.536 30 20 CHED C=CCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 661569330 LVAFLQUEUWYEBX-ZACQAIPSSA-N 284.403 3.540 30 20 CHED C=C(CNC(=O)Cc1ccccc1Cl)c1ccccc1 672480441 OJWWNBPHQZEBJU-UHFFFAOYSA-N 285.774 3.712 30 20 CHED C=CCN(C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 678495849 FFPNGAJYCFUTAO-SWLSCSKDSA-N 273.376 3.513 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1 679904965 PTYKNBDYIRWKLA-QGTPRVQTSA-N 299.414 3.902 30 20 CHED C=CC[C@H](C(=O)NCc1cc(C(C)C)no1)c1ccccc1 681660888 INKZPOBYYRJRTA-INIZCTEOSA-N 298.386 3.774 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccc(C)nc2)CCCC1(C)C 683449915 IOJPJONUEOZBCN-OAHLLOKOSA-N 287.407 3.989 30 20 CHED C=CC[C@H]1CCCC[C@H]1Nc1nc(C)ccc1C(=O)O 692213143 FLLDPRDSPRZLRK-GXTWGEPZSA-N 274.364 3.635 30 20 CHED C#C[C@H](NC(=O)c1ccc2ccccc2c1)C(C)(C)C 705305285 IIRRDWAOTCYCNS-INIZCTEOSA-N 265.356 3.618 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1C 720269738 YWPAUSJEJMZXJA-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC(C)CC(=Nn1cnnc1)c1cccc(C(F)(F)F)c1 726420930 KDGFDUUFAUOBKU-UHFFFAOYSA-N 296.296 3.595 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)CCc2sccc21 726893818 SHHUPPVMPSFWDF-RAXLEYEMSA-N 282.364 3.896 30 20 CHED C#Cc1ccc(C(=O)OC2CCC(C(C)(C)C)CC2)nc1 728799169 MYTGPVLJDMRIDQ-UHFFFAOYSA-N 285.387 3.825 30 20 CHED CC1(c2ccccc2)CC(=NNc2ccccn2)C1 729636099 UXVUOKFGMTZDKT-UHFFFAOYSA-N 251.333 3.601 30 20 CHED C=C(C)CNC(=S)Nc1ccc(N(C)CCCC)cc1 730467376 VPTMMZVRLQWKQZ-UHFFFAOYSA-N 291.464 3.785 30 20 CHED CCn1cc(C=NNc2ccc(F)cn2)c2ccccc21 731322187 ZOTWPKNKMXYBGA-UHFFFAOYSA-N 282.322 3.641 30 20 CHED CC(C)n1cc(C=NNc2cccc3c2CCCC3)cn1 732713056 VXXYXWCRWVUGIN-UHFFFAOYSA-N 282.391 3.789 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1ccccn1 733693166 VJFWVQLBYOANQY-XIRDDKMYSA-N 297.398 3.928 30 20 CHED C=C(Br)CN1CCCc2c(C)cccc21 734058377 NGAUBXVOOCQPIK-UHFFFAOYSA-N 266.182 3.656 30 20 CHED C=CC[C@@H](NC(=O)CCc1ccccc1F)c1ccncc1 734234115 HAHANASWFFQLHS-QGZVFWFLSA-N 298.361 3.587 30 20 CHED C=C(Cl)CNC(=O)C[C@@H](CC)c1ccc(C)cc1 737858263 VRVYQHAMLVBYSG-CYBMUJFWSA-N 265.784 3.747 30 20 CHED CCCNC(=S)NN=C(CCC)CCc1ccccc1 740760900 PZHJVTNARNOAKV-UHFFFAOYSA-N 291.464 3.649 30 20 CHED Cc1cc(C(=O)/C=C\c2cccnc2)cc(C)c1F 741467217 LQQRQVFBPYLJPE-WAYWQWQTSA-N 255.292 3.734 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)/C=C/c1ccccc1C#N 742720038 OQHWMGRSIBQPMB-KYXFNPKGSA-N 270.376 3.512 30 20 CHED CC(C)(C)C1CCC(COC(=O)CSCC#N)CC1 744695772 QERMZMKRRCQRLD-UHFFFAOYSA-N 283.437 3.639 30 20 CHED COc1ccc(C)cc1CON=Cc1cccc(F)c1 745581452 NSMDDIVOXWCTAN-UHFFFAOYSA-N 273.307 3.693 30 20 CHED Cc1ccc(C=NNc2oc(CC(C)C)nc2C#N)s1 745613993 UVOUOXHXEQTFFD-UHFFFAOYSA-N 288.376 3.561 30 20 CHED COc1ccc([C@@H](C)/N=C/c2cccc(OC)c2O)cc1 745624119 FZPURLRNSASNRO-MBNTZHJCSA-N 285.343 3.590 30 20 CHED CCn1cc(C(C)=NNc2ccc(C(F)(F)F)cc2)cn1 746578618 OVPQXUBUCTZMOL-UHFFFAOYSA-N 296.296 3.758 30 20 CHED CCCCCCCCCCCC(=O)n1ncc(C#N)c1N 746890049 HBPYARMYQNSTJD-UHFFFAOYSA-N 290.411 3.898 30 20 CHED Cc1cccc2ncc(/C=C\C(=O)c3cccs3)n12 748994891 UNBWTHIQNZPIFE-FPLPWBNLSA-N 268.341 3.600 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 753263812 JSLGHBMSZNGMNC-KURKYZTESA-N 298.430 3.766 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 753423948 MGLMKPGSQWKIFF-MRXNPFEDSA-N 282.343 3.553 30 20 CHED CCCCCCCC(=O)NCC(C)(C)[C@H](O)C(C)C 754152075 WHONHJJKOQPNRQ-OAHLLOKOSA-N 271.445 3.506 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C)cc(OC)c1O 754727279 VMTATJHQTHTGEI-UHFFFAOYSA-N 297.398 3.897 30 20 CHED Cc1cccc(C)c1OCCN(CCC#N)CC(C)C 755668974 FLIDLWBYDIVZJX-UHFFFAOYSA-N 274.408 3.554 30 20 CHED FC(F)Oc1ccc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)cc1 755683878 UKWAQRIGNCQLSK-SDDRHHMPSA-N 278.302 3.898 30 20 CHED Clc1cccc(Cl)c1NN=CC1CCOCC1 755772398 CMUIHLPACDAUBI-UHFFFAOYSA-N 273.163 3.818 30 20 CHED COc1ccc2cc(C=NO[C@H]3CCCCO3)ccc2c1 755813996 JYKQZMNPWRBKHI-KRWDZBQOSA-N 285.343 3.726 30 20 CHED C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)c2c(O)ccc(F)c21 756419951 VDZAQHBZLDTBOA-IAQYHMDHSA-N 296.345 3.741 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(CC)cc1)OCC 756486431 BQBGVBWRWFBVSS-HNNXBMFYSA-N 262.349 3.526 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2ccc(F)c(F)c2)c1 757468621 SWCRKSCUOQVFPG-UTCJRWHESA-N 290.265 3.575 30 20 CHED C#CC[C@@H](NC(=O)c1cc(C)ccc1C)c1ccccc1 757577241 FYPZOZWCEWTLBY-GOSISDBHSA-N 277.367 3.798 30 20 CHED C#CC[C@H](NC(=O)C[C@H](CC)C(C)C)c1ccccc1 757581988 XEPLGKGNUUSKLY-RDJZCZTQSA-N 271.404 3.940 30 20 CHED O=C1/C(=C/c2cccs2)Oc2cc(F)cc(F)c21 758030638 RTDWRYAAMPZQMX-WDZFZDKYSA-N 264.252 3.643 30 20 CHED C#CCCCC(=O)N1c2ccccc2CC[C@H]1C(C)C 758702889 BEQAZPNCMNLJFX-INIZCTEOSA-N 269.388 3.794 30 20 CHED Cc1ccc(C(=O)/C=C/c2nc(Cl)cs2)o1 759077505 TTXKITUCWDXNRX-HWKANZROSA-N 253.710 3.594 30 20 CHED C#CCCN1CCC(c2c[nH]c3c(CC)cccc23)CC1 760822790 YPOLUZJGAVQHHC-UHFFFAOYSA-N 280.415 3.933 30 20 CHED CCCCCCCc1nc(Cc2cn3ccccc3n2)no1 761446373 VFGGJZYXLXKTFP-UHFFFAOYSA-N 298.390 3.821 30 20 CHED Cc1ccc(C=NNc2ccc(Cl)c(F)c2)nc1 761812012 ISABNCMZHRGXAS-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC(=NNc1ccc(C)nn1)c1cc2c(s1)CCCC2 764688152 YAQBLEURORQLFD-UHFFFAOYSA-N 286.404 3.561 30 20 CHED CC1(C)Cc2occc2[C@H](NCc2ccc(C#N)cc2)C1 765016680 YDZIXYVZSBAXHI-MRXNPFEDSA-N 280.371 3.955 30 20 CHED Cc1cc(OC(=O)C[C@H]2CCC[C@H]2C)ccc1C#N 765093656 LPPPDLPLWYVCEM-DGCLKSJQSA-N 257.333 3.598 30 20 CHED CCc1cnccc1C(C)=NNc1ncccc1Cl 765572403 BZKDSWQFHPLWFZ-UHFFFAOYSA-N 274.755 3.529 30 20 CHED COC[C@H](C)NN=C1CCC(C2CCCCC2)CC1 766454163 HHTGDIHZYSQCFB-CFMCSPIPSA-N 266.429 3.737 30 20 CHED Cc1cc(C(C)(C)C)ccc1OCCCC(=O)OCC#N 767540019 SGRDPGRAFKXUER-UHFFFAOYSA-N 289.375 3.518 30 20 CHED C#CCC(C)(C)C(=O)OCC(=O)c1cccc2ccccc12 767651116 CYJOOGWTHBCZOQ-UHFFFAOYSA-N 294.350 3.615 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCCc3ccccc32)c1 768377077 WJOSEMSFIRPNEH-UHFFFAOYSA-N 296.761 3.759 30 20 CHED C[C@@H](OC(=O)[C@H](F)c1ccccc1)c1cccc(C#N)c1 769294611 RPQFEYBMHGLCTB-MLGOLLRUSA-N 283.302 3.873 30 20 CHED COc1ccsc1C(C)=NN[C@@H](C)c1ccccc1 769779705 HUPYCHSLBASFBM-NSHDSACASA-N 274.389 3.832 30 20 CHED N#Cc1cc(/C=C2/Cc3c(F)cc(F)cc3C2=O)ccc1F 770575215 OSPNOVDSZSWGFH-KMKOMSMNSA-N 299.251 3.798 30 20 CHED C#C[C@@H](C)NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 772962274 LOSXALGZIHSSDN-VQIMIIECSA-N 291.394 3.541 30 20 CHED C[C@H](C(=O)O[C@H](C#N)C1CCCCC1)c1cccc(F)c1 776390285 UVSDWIKMYMRKKR-BLLLJJGKSA-N 289.350 3.945 30 20 CHED CC(C)Oc1ccc([C@@H]2CCCC2=NNC[C@H](C)C#N)cc1 776775050 ALUCSXRZBUFMEY-PBHICJAKSA-N 299.418 3.847 30 20 CHED Cc1cc([C@@H]2CCCN2Cc2ccc(C#N)cc2C)no1 776793844 YZVCWYMPXOVWNI-KRWDZBQOSA-N 281.359 3.500 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1nccs1 777447815 JORICOXGLKZUNL-OAHLLOKOSA-N 287.432 3.724 30 20 CHED CCC1(CC)C(=NOCCC(F)(F)F)C[C@H]1OC 777461032 SFZQNUDUXWGVBE-SNVBAGLBSA-N 267.291 3.537 30 20 CHED Cc1cccc(CCCN(CCC#N)CC(C)C)c1 778214757 KGUHXIUURQPEOS-UHFFFAOYSA-N 258.409 3.799 30 20 CHED CC(=NNCCOC(C)C)C12CC3CC(CC(C3)C1)C2 778549945 IZVFXECWJYNENI-UHFFFAOYSA-N 278.440 3.593 30 20 CHED C=CCC[C@@H](C(=O)O[C@H](C)CCOC)c1ccccc1 778688960 LMFXXWSJSLSJGN-GDBMZVCRSA-N 276.376 3.705 30 20 CHED C#CCCCCCC(=O)Oc1cccc(Cl)c1 779708112 WQXFQGNNDWSXNL-UHFFFAOYSA-N 250.725 3.829 30 20 CHED C(=NO[C@H]1CCCCO1)c1ccc(Oc2ccccc2)o1 779785913 WVGKYURHUTZHLA-HNNXBMFYSA-N 287.315 3.949 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1cc2ccccc2s1 780213171 YRDCFDKVXUIZAI-UHFFFAOYSA-N 296.355 3.906 30 20 CHED CC1(C)C[C@H](NN=C2C[C@H]3CCCc4cccc2c43)CCO1 780251445 VHLUMKUQJSJAGQ-HUUCEWRRSA-N 298.430 3.762 30 20 CHED C[C@@H]1C(=NNc2ncnc3sccc23)CCC[C@H]1C 781121656 LVYZEOMFGYGOAB-ZJUUUORDSA-N 274.393 3.915 30 20 CHED C[C@H]1CCC(=NNc2ccnc(F)c2)c2ccccc21 781133379 DVODAJWTUFOOGZ-NSHDSACASA-N 269.323 3.934 30 20 CHED C/C(C=NN1Cc2ccccc2C1=O)=C\c1ccccc1 781598994 POLCAJONGYVSBJ-XHOSPMEYSA-N 276.339 3.732 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(-c2cnco2)cc1 783074944 NQRQOLMXVLJPTH-UHFFFAOYSA-N 298.342 3.828 30 20 CHED C#C[C@@H](OC(=O)c1cc2cccc(Cl)c2o1)C1CC1 783119330 BTDUTQIEOIQWDX-GFCCVEGCSA-N 274.703 3.655 30 20 CHED FC(F)(F)[C@H]1CCCC(=NNCc2ccccc2)C1 783509357 LCFAPGAZPDLJIO-LBPRGKRZSA-N 270.298 3.885 30 20 CHED CCCNN=Cc1ccc(Oc2ccc(OC)cc2)cc1 783826192 ITSKBUKEXQEOEO-UHFFFAOYSA-N 284.359 3.821 30 20 CHED C#CCC1(C(=O)N(CC)C[C@H](C)CC)CCCCC1 788450451 JGCZBUDKPLFCFK-OAHLLOKOSA-N 263.425 3.855 30 20 CHED C[C@@H]1CC[C@@H](CON=C(c2ccccc2)C(F)(F)F)O1 789084123 MPBDDZLYCQXOMC-PWSUYJOCSA-N 287.281 3.537 30 20 CHED C#C[C@H](CCC)NC(=O)c1cncc(-c2cccc(C)c2)c1 791199729 CLPWKQPUELKAOC-GOSISDBHSA-N 292.382 3.589 30 20 CHED C=CC[C@@H](NCCCc1ccc(C)nc1)c1ccncc1 792984196 FYHQTCXJBXXMSA-GOSISDBHSA-N 281.403 3.625 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCN(c2ccccn2)C1 793548194 JXBJSXBDMIGWDM-IRXDYDNUSA-N 287.451 3.775 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CCN(c2ccccn2)C1 793548198 JXBJSXBDMIGWDM-SJORKVTESA-N 287.451 3.775 30 20 CHED Cc1cc(C=NNCCC(F)(F)F)ccc1Cl 794551683 IGVNQLAGYGGNFM-UHFFFAOYSA-N 264.678 3.524 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccccc1C(F)(F)F 794691134 MILVTRUIIZPINH-BQYQJAHWSA-N 294.276 3.643 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C1/CC[C@H](C)C1 797169798 BCIVNBSFKFBXEJ-IXJPEXDMSA-N 283.375 3.675 30 20 CHED C=CC[C@@H](CC)NC(=O)C(F)(F)c1c(F)cccc1F 798550911 HUJXZZYFJBBNAT-SECBINFHSA-N 289.272 3.528 30 20 CHED CC(C)(CO)CNN=C1CCC[C@H]1c1ccccc1Cl 799117183 QKICGAQYCHNXJB-ZDUSSCGKSA-N 294.826 3.572 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@H](c2ccccn2)C1 799194581 GYSWQOHBTIGZSY-OAHLLOKOSA-N 271.408 3.591 30 20 CHED CCOc1cc(NC(=O)c2ccc(C)c(C#N)c2)ccc1C 799330181 YUPZXCSTRGZMCC-UHFFFAOYSA-N 294.354 3.826 30 20 CHED C#CCC(C)(C)C(=O)O[C@H]1CC(C)(C)Oc2ccccc21 799434493 DHJQCDJYMLKAKH-HNNXBMFYSA-N 286.371 3.882 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCCCC1(C#N)CCOCC1 800190644 OKTLSDSPWONRTF-CQSZACIVSA-N 295.423 3.702 30 20 CHED CCCc1ccc([C@H](NCCO[C@H](C)C#N)C(C)C)cc1 801929829 VNRUOHQYEXXBKX-CRAIPNDOSA-N 288.435 3.854 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)/C=C\c2ccc[nH]2)s1 802249613 CJLIFQWHBFIBQR-DGMVEKRQSA-N 299.399 3.658 30 20 CHED C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1CCCCC1 802713149 DAMSIKOMXLCEGO-ZDUSSCGKSA-N 288.391 3.646 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1coc(-c2ccc(C)cc2)n1 803786461 GTASIGMYHBYCHR-KRWDZBQOSA-N 298.342 3.633 30 20 CHED N#CCSCCCOC(=O)CCCC1CCCC1 805482233 UXGQWPDREJSVTI-UHFFFAOYSA-N 269.410 3.537 30 20 CHED C[C@H]1/C(=C/c2ccc3c(c2)OCCO3)C(=O)c2ccccc21 809159285 MNARICQYTXNNGA-YUSFRKCESA-N 292.334 3.841 30 20 CHED CCc1cccnc1-c1noc(-c2ccc(C)c(C#N)c2)n1 809409517 PRFUNPKELPZWAQ-UHFFFAOYSA-N 290.326 3.541 30 20 CHED CC(C)(C#N)Cc1nc(C2CCCCCCC2)no1 809440276 GFZDXACXTYFEDW-UHFFFAOYSA-N 261.369 3.990 30 20 CHED C#C[C@@H](CC)NCc1ccc(Cl)c(C(F)(F)F)c1 809685932 AFXOEBOZYJZEFP-JTQLQIEISA-N 275.701 3.860 30 20 CHED C[C@@H](NN=Cc1ccc2[nH]ccc2c1)c1ccccc1 811639502 BOIDNIOOKFNXAD-CYBMUJFWSA-N 263.344 3.853 30 20 CHED C[C@]1(c2ccccc2)CCC(=NNC[C@H]2CCSC2)C1 811661217 GRJDWJXGEBINNC-PBHICJAKSA-N 288.460 3.827 30 20 CHED C(=NOC1CCC1)c1csc(-c2ccsc2)n1 812234975 FTXDJMKWGWGVBD-UHFFFAOYSA-N 264.375 3.775 30 20 CHED Cc1nnsc1C=NNc1cc(Cl)cc(Cl)c1 814227781 MBVJWESKUXIGLX-UHFFFAOYSA-N 287.175 3.599 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CC3CCC2CC3)ccc1F 814497462 KQQICDZQUANNBQ-ABIUDSBCSA-N 287.334 3.567 30 20 CHED CN(Cc1cc2ccccc2nc1Cl)CC(C)(C)C#N 814670578 ZDYYMIKACZIBDS-UHFFFAOYSA-N 287.794 3.870 30 20 CHED CC(=NNc1ccccc1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814684214 HYGNUWQLUQYCCL-OCCSQVGLSA-N 274.364 3.611 30 20 CHED CC(=NNc1cccc(F)c1)[C@@H](C)CCCCC(=O)O 814815163 OYIVSMUUMSSJQN-NSHDSACASA-N 280.343 3.895 30 20 CHED C[C@H](NN=Cc1ccc2oncc2c1)c1ccccc1 814815463 YPWKZMXATCJOTN-LBPRGKRZSA-N 265.316 3.513 30 20 CHED Cc1ccc(F)c(NN=Cc2cccnc2Cl)c1 814872466 NRRCKXWLIRIYBX-UHFFFAOYSA-N 263.703 3.629 30 20 CHED COc1ccc2c(c1)C(=NOCC(F)F)CCCS2 814904123 SJWDQNMHXOFNJH-UHFFFAOYSA-N 287.331 3.567 30 20 CHED CCc1nocc1C=NNc1ccccc1OC(F)(F)F 814910073 PRDPXABVIWZNDP-UHFFFAOYSA-N 299.252 3.582 30 20 CHED C=CCSCCN[C@H](C)c1ccc(F)cc1C 815591377 FYPUBKCKXDENGM-GFCCVEGCSA-N 253.386 3.704 30 20 CHED CCCCCCCCC(=O)N1CCCN(C)C[C@@H]1CC 816484026 NJDBMQUHHCUQSN-INIZCTEOSA-N 282.472 3.680 30 20 CHED C=CC[C@H](N[C@H](C)C[C@@H]1CCCCCN1)c1ccncc1 817893249 DAFZCKKIMZZJKW-NJAFHUGGSA-N 287.451 3.599 30 20 CHED C=CC[C@@H](CC)NCc1cc(C(OC)OC)ccc1F 818212699 UFYCTJCDNGRCMA-CQSZACIVSA-N 281.371 3.561 30 20 CHED CC(C)Oc1c(F)cc(NC[C@H](C#N)CCC#N)cc1F 819470717 WGGXKGURNICGBQ-NSHDSACASA-N 293.317 3.607 30 20 CHED C#C[C@H](NC(=O)N(CC)C1CCCCC1)c1ccccc1 820605645 OXTVHMLRFILZGM-KRWDZBQOSA-N 284.403 3.725 30 20 CHED CCCCCC[C@@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 822350279 HMDJJMBLTDTFNH-PBHICJAKSA-N 276.424 3.936 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@@H](C)C[C@H]1C)c1ccccc1 823416284 YICMIIMKQPWXEM-INMHGKMJSA-N 284.403 3.581 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1ccc(OC(F)F)cc1 834996873 XAGIBCSFGYWXOV-MRVPVSSYSA-N 296.239 3.552 30 20 CHED C#CCCCCNCc1sc(C)cc1Br 835043085 MVBVQRUOURQHTN-UHFFFAOYSA-N 286.238 3.712 30 20 CHED CCC(=NNc1ncnc2ccsc12)[C@@H]1C[C@@H]1C 841631180 WFIKATJTSIBTDJ-DTWKUNHWSA-N 260.366 3.525 30 20 CHED CC(C)c1ccc(NN=Cc2cnc(C3CC3)nc2)cc1 841643064 GWNFOAJDSUVKQU-UHFFFAOYSA-N 280.375 3.923 30 20 CHED C[C@@H](COC(=O)C[C@@H](CC#N)c1ccccc1)CC(F)F 842444270 QWZZPWHKUGAHPR-TZMCWYRMSA-N 295.329 3.908 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)Cc1ccc(C(F)(F)F)cc1 845172133 MMTNIGPPRTWDNP-LBPRGKRZSA-N 298.308 3.604 30 20 CHED C=C[C@H](C)ONC(=O)C1CCC(c2ccccc2)CC1 846546129 LPFUWCCZMCCPEY-JEYLPNPQSA-N 273.376 3.583 30 20 CHED C=C(C)CCOC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C 847653199 AEHOHEUFCVBUGV-LBPRGKRZSA-N 290.407 3.659 30 20 CHED CCC(CC)NN=C1CCC[C@H](NC(=O)OC(C)(C)C)C1 848405990 GIZZXRYWDIGTCZ-ZDUSSCGKSA-N 297.443 3.588 30 20 CHED CCCCCCCNC1CCC(NC(=O)OCC)CC1 850448196 MVTNAOIDKLQQHI-UHFFFAOYSA-N 284.444 3.604 30 20 CHED COc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1OC(F)F 850562988 ZAVSWPSVQLKPSS-QWRGUYRKSA-N 296.317 3.791 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)Cc1ccc(F)cc1 851209783 JYQVBOSANJIBQX-STQMWFEESA-N 291.366 3.876 30 20 CHED C[C@@H]1CN([C@H](C#N)c2ccccc2)Cc2ccccc21 851720222 DEONLYJKPKNCCW-RDTXWAMCSA-N 262.356 3.871 30 20 CHED CCc1noc(C2CCC(=NN3CCCC[C@H]3C)CC2)n1 853379882 MZBGKOMZTUEKGQ-PZORYLMUSA-N 290.411 3.520 30 20 CHED Cc1nc2c(s1)C(=NNc1ccc(Cl)cn1)CCC2 853437763 TVXTUNWYHIZCFY-UHFFFAOYSA-N 292.795 3.652 30 20 CHED CCCCCCCCC(=O)N1CCC[C@]2(CCN(C)C2)C1 854736750 IFXABQJQXMKSRY-GOSISDBHSA-N 294.483 3.681 30 20 CHED CON=C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 857206821 IJGOTHQBXVWZSK-QGZVFWFLSA-N 274.408 3.557 30 20 CHED C#C[C@H](OC(=O)c1cnc(CC)s1)c1ccc(C)cc1 860963838 DSAIEOYPVPALIL-ZDUSSCGKSA-N 285.368 3.545 30 20 CHED C#CC[C@H](CCOC)NC1CCC2(CCCC2)CC1 862549285 YSNAJCJJBLTWCE-OAHLLOKOSA-N 263.425 3.507 30 20 CHED CC(C)N1CCC(CCN[C@H](C)c2ccc(C#N)cc2)CC1 866467422 HNUBGFRSTQJZEX-MRXNPFEDSA-N 299.462 3.719 30 20 CHED C=CCC[C@@H](NCCC(C)(C)OC)c1ccco1 866505301 XCXGFEPFEKOHCH-CYBMUJFWSA-N 251.370 3.692 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc2nccnc2c1 871656202 YZXIJJRTHVZHIF-CLFYSBASSA-N 274.323 3.834 30 20 CHED C#CC[C@H](Cc1ccccc1)OC(=O)C1(C)CC(F)(F)C1 873529263 SMFYJYBLBBIGJZ-CQSZACIVSA-N 292.325 3.600 30 20 CHED C#CCCCCCCNc1cccc(N2CCNC2=O)c1C 877483963 VVKIUVUTMKUAMT-UHFFFAOYSA-N 299.418 3.520 30 20 CHED C=CCCC[C@H](C)OC(=O)[C@@H]1CCOC2(CCC2)C1 885668044 QTZIHNHXFJSEHA-UONOGXRCSA-N 266.381 3.624 30 20 CHED C=C1CCC(C(=O)Nc2c(Cl)ccc3c2CCO3)CC1 890336688 UJCDRARKIJZOQN-UHFFFAOYSA-N 291.778 3.960 30 20 CHED C=CCCC[C@H](NCc1ccc(Cl)cc1C)C(=O)O 900068609 LSBNQLUITPBYRS-AWEZNQCLSA-N 281.783 3.548 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc(C3CC3)cc2)nn1 901528752 IXUMHPWMPYNTIV-YHYXMXQVSA-N 281.359 3.633 30 20 CHED CC(=O)C(C)=NOCc1nc(-c2ccc(C)cc2)cs1 902760289 DITKXRAPCDHNRT-UHFFFAOYSA-N 288.372 3.600 30 20 CHED CC[C@H](NC1CCC(COC)CC1)c1cccc(C#N)c1 903019501 NXNQCMUFUJDSLT-UYJHFMRCSA-N 286.419 3.804 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C 918493558 AZCTWYGFGHZBMU-AWEZNQCLSA-N 297.439 3.537 30 20 CHED C#CCCCOC(=O)c1ccc(Cl)cc1Cl 918498492 PVVMGRASUQLLEC-UHFFFAOYSA-N 257.116 3.564 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc(Cl)c(F)c2)c1 921253042 IDGPMMBHLOGPFS-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H](C)c1cccc(F)c1 924808071 ZCNRNFFUJCSGNH-OLZOCXBDSA-N 262.372 3.847 30 20 CHED C=CCC[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccccc1 925578939 IUTLGERSBRGZDR-BPUTZDHNSA-N 282.391 3.581 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnn(C2CCCC2)c1 928791739 WIZJQZKLYMANHK-UHFFFAOYSA-N 261.369 3.539 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 930477199 ZTKYHVZHGZJFEC-UHFFFAOYSA-N 299.374 3.529 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(-c2cccs2)s1 1116535602 GINHRSHKSCRJJH-SNVBAGLBSA-N 290.413 3.899 30 20 CHED Cc1cc(CNCc2ccc3c(c2)CCC3)ccc1C#N 1116786520 NSXHBXYDXDTSKY-UHFFFAOYSA-N 276.383 3.645 30 20 CHED N#Cc1ccc(CSCc2ccc(F)cn2)c(F)c1 1116837124 BIJANEDWHZZDBA-UHFFFAOYSA-N 276.311 3.665 30 20 CHED CC(C)c1ocnc1CN[C@@H](C)c1cccc(C#N)c1 1119294342 TZUTWJHRRNJGLL-LBPRGKRZSA-N 269.348 3.520 30 20 CHED CCC[C@H](CC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1129977415 SEZBPWYSNNKWLH-WMLDXEAASA-N 284.403 3.878 30 20 CHED N#Cc1ncccc1S[C@@H](C#N)CCc1ccccc1 1189338050 KOFQNFNRQUTMGG-CQSZACIVSA-N 279.368 3.570 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ncccc1F 1204697942 XWMVKFIRCXTDPE-UHFFFAOYSA-N 297.377 3.751 30 20 CHED CC[C@H]1CCC[C@@H](CN2CC(Oc3ccc(C#N)cc3)C2)C1 1206185676 CNJNOFQLOYXVCE-DOTOQJQBSA-N 298.430 3.838 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(SC)ccc1Cl 1207618512 DEXGFHFKPKHXCE-UHFFFAOYSA-N 291.203 3.936 30 20 CHED C=CCn1cnnc1S[C@@H]1CCc2c(Cl)cccc21 1253483294 DGVSYWVMZMOCBI-CYBMUJFWSA-N 291.807 3.897 30 20 CHED C(#Cc1nnc(CCCc2ccccc2)o1)c1ccccc1 1257735763 HYVNQMNGAIWOOM-UHFFFAOYSA-N 288.350 3.645 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1cc(C#N)ccc1F 1275425683 LGMSRSJUKOLKEU-GFCCVEGCSA-N 282.318 3.748 30 20 CHED Cc1ccc(CNCc2ccc(C#N)c(Cl)c2)c(F)c1 1308383167 HJTYZHPWJWOEQC-UHFFFAOYSA-N 288.753 3.949 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2cc(C)cc(C#N)c2)c1 1310872843 XRSICRQRVQLOPN-UHFFFAOYSA-N 293.370 3.805 30 20 CHED CC(=NNCc1ccc(F)cc1)c1ccc(F)c(F)c1 1319193901 JPAOULSIBDPLTC-UHFFFAOYSA-N 278.277 3.618 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H](C)n1ccnc1 1320179633 SJMJQFLZNYINFW-LSDHHAIUSA-N 279.428 3.557 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccn1C1CC1 1326429593 ICTWUNSBBPSKJO-UHFFFAOYSA-N 273.424 3.975 30 20 CHED CC[C@@H](c1ccccc1)c1nnc([C@](C)(C#N)CC)o1 1327042857 SKBUGWQLCYTXJF-BBRMVZONSA-N 269.348 3.803 30 20 CHED C[C@@H](c1cccc(F)c1)c1nnc(-c2cccc(C#N)c2)o1 1328429747 PVBOQEDFAPVJOU-NSHDSACASA-N 293.301 3.899 30 20 CHED COc1ccc(Cl)cc1CCN[C@H](C)CC(C)(C)C#N 1333615092 CRPXRIQZDRQEKK-GFCCVEGCSA-N 294.826 3.809 30 20 CHED Cc1ccc(-c2nnc(-c3ccc(Cl)c(C#N)c3)o2)o1 1341686120 KUYRLRJAFAXXBC-UHFFFAOYSA-N 285.690 3.830 30 20 CHED CC(=O)c1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1C 1344245604 KURKDEYQCJPFPK-GFCCVEGCSA-N 287.359 3.683 30 20 CHED C=CCC(C)(C)C(=O)N(OC)[C@@H](C)c1csc(C)n1 1344394758 YJCOVHZVIHGXGT-JTQLQIEISA-N 282.409 3.505 30 20 CHED C=C[C@@H](C(=O)N1CCC(OC2CCC2)CC1)c1ccccc1 1347696536 XXZOVTMNLHXCJF-GOSISDBHSA-N 299.414 3.516 30 20 CHED CCC[C@H](CC(C)C)C(=O)[C@H](C#N)c1nccn1CC 1349703099 VNKPDLWJZFPCFQ-KGLIPLIRSA-N 275.396 3.542 30 20 CHED CCCc1ccccc1NC(=O)c1ccc(C#N)cc1OC 1357142092 AASKYPHSYUWKLJ-UHFFFAOYSA-N 294.354 3.772 30 20 CHED CC[C@H]1CCCCCN1CCc1ccc(C#N)cc1 1459538292 XBVYYAVIVNKHTL-KRWDZBQOSA-N 256.393 3.755 30 20 CHED C=C(Cl)CNC(=O)NCc1cc(Cl)cc(Cl)c1 1470777159 NIMFKAWPSFRGTP-UHFFFAOYSA-N 293.581 3.545 30 20 CHED CSc1ccc([C@H](C)OC(=O)c2cc(C#N)ccn2)cc1 1518575209 IMXQSJXTBYBEQG-NSHDSACASA-N 298.367 3.593 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C 1535361383 KGJSCRYVBBCYNT-HOTGVXAUSA-N 298.430 3.872 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@@H](C2CCCCC2)C1 1538401950 KEJYQEGAMZNXPD-QGZVFWFLSA-N 296.414 3.909 30 20 CHED Cc1c(F)cccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 1544187858 WQVRWXMKPBEONA-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CC[C@@H]1C[C@H]1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 1559554578 GFRCTFMJKNHFTI-SPUZQDLCSA-N 268.404 3.804 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C(=O)O)c2ccccc12 1573326244 UXKRENRAUMSCIT-UHFFFAOYSA-N 298.342 3.626 30 20 CHED C=CC1(CC(=O)N[C@H](CCCCC)C(=O)O)CCCCC1 1573351468 UHRHHOXYKONSSB-CQSZACIVSA-N 295.423 3.663 30 20 CHED C=C[C@@H](N[C@@H](C)c1ccc(Cl)c2ccccc12)C(=O)O 1588692606 FQOAZRMQNZHPAJ-ZUZCIYMTSA-N 289.762 3.783 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CC(C)(C(=O)O)C1 1595704587 CCJNKABQGVNETL-QXMHVHEDSA-N 295.423 3.616 30 20 CHED Cc1ccccc1CCN(C)C(=O)Nc1ccc(C#N)cc1 1622711961 LWVPVMPPZWCHSV-UHFFFAOYSA-N 293.370 3.573 30 20 CHED C[C@@H]1CC[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)C[C@H]1C 1633673660 PFBZOWPDOLJJLX-LMSBXDPUSA-N 298.430 3.700 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)c(F)c1 1639404224 ZGGLAVDBLYLWNA-ARLBYUKCSA-N 299.393 3.887 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2ccc(Cl)c(F)c2)n1 1650880520 CHDKUMRQQBZREX-MRVPVSSYSA-N 290.729 3.622 30 20 CHED CC[C@H](C)[C@@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1 1655161136 WTHOOUFPLYAAJA-QWHCGFSZSA-N 296.374 3.987 30 20 CHED Cc1nsc(NCC[C@H]2CCc3ccccc32)c1C#N 1655525743 MJDLUHMEDSFVCN-CYBMUJFWSA-N 283.400 3.855 30 20 CHED CC(C)CN(Cc1cccc(F)c1C#N)CC(C)C 1657568370 QYWQWHCZOBHGFQ-UHFFFAOYSA-N 262.372 3.811 30 20 CHED C=C(CNC(=O)N[C@@H](C)CC(C)(C)C)c1ccccc1 1686696853 OPFHRSCCMQCHEB-AWEZNQCLSA-N 274.408 3.824 30 20 CHED CCC(=NNc1ccc(C(=O)O)c(F)c1)c1cccs1 1776073164 GWNHEMXRCQQFBO-UHFFFAOYSA-N 292.335 3.812 30 20 CHED C=CCCC1(C(=O)O)CCN(Cc2cccc(C)c2)CC1 1776171680 WRXHCSOCWFXZDI-UHFFFAOYSA-N 287.403 3.628 30 20 CHED N#Cc1ccc(OCCOc2ccc(Cl)cc2)cc1 11949291 JDBAXQUVZSDYEU-UHFFFAOYSA-N 273.719 3.669 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1cccc(F)c1 20147901 UYFSRJJGHGEPRG-LBPRGKRZSA-N 254.308 3.548 30 20 CHED N#Cc1ccc(NCc2cccc3c2OCO3)cc1Cl 36168404 TXSANHYGAXWLFR-UHFFFAOYSA-N 286.718 3.552 30 20 CHED CN(Cc1ccncc1)c1ccc(C#N)c(C(F)(F)F)c1 36776861 XSLSVFQDNGZQCB-UHFFFAOYSA-N 291.276 3.608 30 20 CHED N#Cc1ccccc1OCCN(Cc1cccs1)C1CC1 48554243 CZMROPHZYCFUST-UHFFFAOYSA-N 298.411 3.663 30 20 CHED Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 49882738 PJNBOBSHCWIIRO-HNNXBMFYSA-N 284.746 3.643 30 20 CHED C[C@H](OCCCNCc1cccc(C#N)c1)c1ccccc1 57626223 YNVZSQBQLDKZLZ-INIZCTEOSA-N 294.398 3.816 30 20 CHED CN(C)c1c(Cl)cccc1NC(=O)c1ccc(C#N)cc1 58180441 RYVLZJSUYLSQQD-UHFFFAOYSA-N 299.761 3.530 30 20 CHED CC[C@@H](Nc1ccc(Cl)c(C#N)n1)c1nc(C)cs1 67372216 WLNFHMIVICTOHZ-SNVBAGLBSA-N 292.795 3.935 30 20 CHED C#Cc1cccc(NC(=O)N(CC)C2CCCCC2)c1 68555888 PUPAVRUFPRXSFP-UHFFFAOYSA-N 270.376 3.854 30 20 CHED C#Cc1cccc(NC(=O)c2cc3cccc(OC)c3o2)c1 73900242 XKFHMTIYEBDQNN-UHFFFAOYSA-N 291.306 3.675 30 20 CHED Cc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1C 75276201 QARCZNYTWXGIOU-CQSZACIVSA-N 278.355 3.666 30 20 CHED CCS[C@@H]1CC[C@H](N(C)c2ncc(C#N)cc2Cl)C1 78579524 LUBQHUQRDSVFNJ-NWDGAFQWSA-N 295.839 3.717 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(OC(C)(C)C)cc1 79545955 OUGCIXGNGQJWOI-UHFFFAOYSA-N 288.391 3.628 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1ccc(F)cc1F 84731304 CUBBIOAXGCEXCN-LJQANCHMSA-N 285.359 3.543 30 20 CHED Cc1ccc([S@](=O)CCCC(C)(C)C#N)c(C)c1 87611192 VRLHIFSMMUFJTC-SFHVURJKSA-N 263.406 3.741 30 20 CHED COc1ccc(CNc2cc(C)cc(C)c2)cc1C#N 87822396 WAJRDRPXBRWRLH-UHFFFAOYSA-N 266.344 3.796 30 20 CHED N#CCC1(CNc2ccc(F)c(C(F)(F)F)c2)CC1 88249714 OKWCKOLPYOZCAO-UHFFFAOYSA-N 272.245 3.950 30 20 CHED N#Cc1ccncc1N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 89268914 PDRMZTJYSIVIKP-GOEBONIOSA-N 299.761 3.549 30 20 CHED CCCCCCCC(=O)Oc1ccc(C(=O)OC)cc1 104983198 XMDPUAMCMHGDNK-UHFFFAOYSA-N 278.348 3.739 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OC)c(OCC)c1 105005441 OTXRVAPSEXJFCU-UHFFFAOYSA-N 292.379 3.524 30 20 CHED C=C(C)CN1CCC(NC(=O)CCC2CCCCC2)CC1 106039312 VRASCOMAHHGOHQ-UHFFFAOYSA-N 292.467 3.504 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC(C#N)CC1 115351186 UWFHUALTTGLAPA-QGZVFWFLSA-N 290.451 3.991 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@](C)(c2ccccc2)C1 116974237 NKWNWSOUBRAMEE-QAPCUYQASA-N 286.419 3.714 30 20 CHED C=CCCCS[C@@H](C)C(=O)NCc1ccccc1C 117945037 IEJIAKMFHFOVGU-AWEZNQCLSA-N 277.433 3.699 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1cc(F)cc(F)c1 120108531 STLAJGMRZQFTLZ-MNOVXSKESA-N 284.302 3.550 30 20 CHED C=C(Br)CN[C@@H](CC)c1ccc(OC)cc1 125075681 PPWFYZRJOJUGLM-ZDUSSCGKSA-N 284.197 3.645 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCSc1ccccc1Cl 127516477 RZHCSFKWRRYIKF-AWEZNQCLSA-N 296.823 3.631 30 20 CHED CCCCCCCC(=O)NC1CC(C)(C)NC(C)(C)C1 127623282 LVBOGYOOAYNJCC-UHFFFAOYSA-N 282.472 3.772 30 20 CHED C=C(C)CN(CC)Cc1noc(C2CCCCC2)n1 127721417 OZGPGLILVBYTIG-UHFFFAOYSA-N 263.385 3.515 30 20 CHED COc1ccc(C#N)cc1CNc1c(C)cccc1C 129249170 WSYQOCCONTZELS-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CCC(CC=C)C(=O)NCc1cc(-c2ccccc2)on1 129637773 GEDRAZGBBTTXCP-UHFFFAOYSA-N 296.370 3.726 30 20 CHED C=CC[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 134716408 QDIBZGKINLMCIK-JTQLQIEISA-N 257.293 3.520 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1 138893988 OZJBLIBYWRTTMY-SFHVURJKSA-N 278.355 3.601 30 20 CHED N#CCC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 153748186 UTYCTVBIRLBGPX-UHFFFAOYSA-N 299.761 3.804 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccc(F)cc1F)C(C)C 155130539 FFOWESZYIWATPS-YGRLFVJLSA-N 282.334 3.536 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1Cl 155166972 BEJXOKUIUMSIMR-RYUDHWBXSA-N 265.784 3.599 30 20 CHED CCOc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 155984305 CDPFVZMTTVJZRJ-AWEZNQCLSA-N 296.370 3.988 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC[C@H]1C 156266180 XCZINXWOCIFJEH-GHMZBOCLSA-N 291.782 3.721 30 20 CHED COc1cccc(/C=N/[C@H](CCC#N)c2ccccc2)c1O 158262645 WWCPJMDCULACBQ-RBYWHNRPSA-N 294.354 3.865 30 20 CHED C=C(Br)CNCc1cc(Cl)ccc1Cl 159633420 BZCPMNJVCBXMAC-UHFFFAOYSA-N 295.007 3.992 30 20 CHED C=C(C)CNC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 161023354 JELOACNXWNXCPG-CVEARBPZSA-N 281.440 3.834 30 20 CHED N#CCSCC(=O)N1CCC[C@@H]1CCC1CCCCC1 161646620 ZTDKMCHUPCHEHA-OAHLLOKOSA-N 294.464 3.595 30 20 CHED C=CCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 161858263 JSJKVFLRFITXMN-GHMZBOCLSA-N 284.186 3.741 30 20 CHED O=C1/C(=C/c2cccs2)CCc2c(O)cccc21 165327137 UWNLJTWZWNMUQS-MDZDMXLPSA-N 256.326 3.666 30 20 CHED CC(=O)c1ccc(F)cc1OCc1ccc(C#N)cc1C 165696372 UFCUXIGPEXOULC-UHFFFAOYSA-N 283.302 3.787 30 20 CHED CCSCCN(CC)[C@@H](C)c1ccc(C#N)cc1 172385609 CCOFLZSXWVULAM-ZDUSSCGKSA-N 262.422 3.694 30 20 CHED CCCCCCC(=O)N(CCOC)c1ccc(C#N)cc1 173279255 IMBACIKEQAGWJZ-UHFFFAOYSA-N 288.391 3.508 30 20 CHED C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)C1CCCCC1 173399075 XMSLQJKJPCAOBN-AWEZNQCLSA-N 299.418 3.668 30 20 CHED N#CCCCOC(=O)c1cc(C2CC2)nc2ccc(F)cc12 174033849 ZCOLPWPFXJILCZ-UHFFFAOYSA-N 298.317 3.712 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@H]2CCC[C@H]21 174295372 OFQXPQHZIOQIFF-GDBMZVCRSA-N 285.387 3.656 30 20 CHED C#CCCCN[C@@H]1CCCOc2c(C)cc(C)cc21 178060180 PDTOIFHCHWAECW-MRXNPFEDSA-N 257.377 3.520 30 20 CHED N#Cc1cc(CNC2(c3cccc(F)c3)CC2)ccc1F 179684528 JFHFKPCWAIAZKG-UHFFFAOYSA-N 284.309 3.615 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]2CCC2CCCCC2)c[nH]1 181352080 UAZNDBFUXREXNJ-KRWDZBQOSA-N 299.418 3.851 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1C[C@]1(C)C(C)C 185860842 IIURBTPRDNPKAC-CXAGYDPISA-N 286.375 3.578 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C/c3ccc(F)nc3)c2c1 186411466 ZLIREOWABKCHCO-QHHAFSJGSA-N 296.301 3.607 30 20 CHED C=CCCC(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 187043552 RHTUHDPMEPLIFF-DOMZBBRYSA-N 293.794 3.595 30 20 CHED Cc1cc2cc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)oc2cc1C 187621729 FGXXFQQQLXUXER-TZMCWYRMSA-N 283.327 3.899 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2cccc(Cl)c2)no1 188010403 DWGCGZUIUXILJB-HNNXBMFYSA-N 292.766 3.870 30 20 CHED Cc1c(C(=O)/C=C/c2ccsc2)cnn1C(C)(C)C 188870970 OWQZOCTYYWPKKV-AATRIKPKSA-N 274.389 3.904 30 20 CHED CC#CCCCC(=O)NCc1ccc(OCCC)cc1C 189439587 BWHOYFHMYUGUTJ-UHFFFAOYSA-N 287.403 3.594 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C[C@@H](C)CC 189863660 YOKJJEFJPZALRD-ZDUSSCGKSA-N 263.356 3.777 30 20 CHED N#Cc1ccc(CNc2ccccc2Cl)cc1F 190311909 MIUJECGSKWNYQG-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C#CCCCC(=O)N(CC=C)Cc1ccc(Cl)s1 192082481 GRWTXAQQKNNELL-UHFFFAOYSA-N 281.808 3.720 30 20 CHED C#CCCCC(=O)N(Cc1cccnc1)c1ccc(F)cc1 192206498 SUYOQYBTWLPBQW-UHFFFAOYSA-N 296.345 3.557 30 20 CHED N#CCC[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 192504540 XWWNETBNTQEOQR-LLVKDONJSA-N 288.332 3.508 30 20 CHED N#CCCN(Cc1ccco1)Cc1sccc1Cl 194302567 RLUHDAQRUOJJFM-UHFFFAOYSA-N 280.780 3.910 30 20 CHED C[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1ccccc1F 195424667 TWXCBSJWJXYYBV-GFCCVEGCSA-N 283.302 3.544 30 20 CHED C#CCCCCN[C@H]1CCc2cc(Br)ccc21 222292254 PQOJLOZNHCVDDA-HNNXBMFYSA-N 292.220 3.830 30 20 CHED C[C@H](Cc1ccc(F)cc1)NCC(C)(C)CCC#N 229695534 LTCPDTQFQKDJEO-CYBMUJFWSA-N 262.372 3.676 30 20 CHED C=CC[C@H](C)NCCN(C(=O)OC(C)(C)C)C(C)(C)C 230976219 FRCDRTTVVVUITK-ZDUSSCGKSA-N 284.444 3.576 30 20 CHED C[C@@H]1CC[C@H](CC(=O)[C@H](C#N)c2nc3ccccc3n2C)C1 247568186 LFMBOEIEFIUMOQ-RDBSUJKOSA-N 295.386 3.576 30 20 CHED CC(C)N(C)Cc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 248730614 DEEFBHLKGGPTAU-VQIMIIECSA-N 299.462 3.699 30 20 CHED Cc1ccc([C@@H](C)NC(=O)/C=C\c2ccccc2C#N)cc1 255880833 OWLQSXLBWXROAN-QYMJWVLRSA-N 290.366 3.757 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cncc2ccccc12 264017487 DYVQIOVGDRWJNG-UHFFFAOYSA-N 295.386 3.637 30 20 CHED C[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccc(C#N)cc1 264287675 AIBCBTZWHUEPJZ-CHWSQXEVSA-N 297.402 3.592 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1CCC 265542727 NYJAFXWLHROFAX-UHFFFAOYSA-N 252.745 3.513 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(C(=O)CC)cc1)OCC 270113141 GLCZOLJCNJPKKR-INIZCTEOSA-N 290.359 3.556 30 20 CHED C#CCCCCNC(=O)Nc1cccc(SC)c1C 271749359 XEJSPQPBLKGOMP-UHFFFAOYSA-N 276.405 3.642 30 20 CHED Cc1cnc([C@@H](C)CNc2ncc(C#N)cc2Cl)s1 273291471 KLEUNBDWHNCMIO-QMMMGPOBSA-N 292.795 3.587 30 20 CHED C=CCCN(C)Cc1cc2cnn(C(C)C)c2nc1Cl 276208809 ZYBZUNDDPJDQJI-UHFFFAOYSA-N 292.814 3.674 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2cccnc2)CCCC1(C)C 277994659 UPHYSPOOPZXOAM-AWEZNQCLSA-N 273.380 3.680 30 20 CHED C=C(C)CCN[C@@H](C)c1nc(C(F)(F)F)cs1 278893789 JBXQIHIBMPLNDH-QMMMGPOBSA-N 264.316 3.779 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(C#N)oc1C 280510488 AGTWJRJILJLYSH-UHFFFAOYSA-N 286.375 3.668 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](C)SC 280894990 MLZODQWBRLWRLZ-CQSZACIVSA-N 292.448 3.526 30 20 CHED C=CC[C@H](CC)NCc1nn(CC)c2ccccc12 281288799 ILKCDHWQSSFYHZ-ZDUSSCGKSA-N 257.381 3.501 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1ccsc1)c1cccnc1 281547045 BSBRYOADQUICOH-UHFFFAOYSA-N 299.399 3.616 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)C(=O)c1cccc(F)c1 281581363 BNUQEPIYEBCEKS-WFASDCNBSA-N 291.366 3.506 30 20 CHED C=C(CNCc1cnc(C(C)(C)C)nc1)c1ccccc1 284293023 IFWKSPHSLKBJGR-UHFFFAOYSA-N 281.403 3.577 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@@H]2CCCC[C@@H]2C)no1 289064021 GKMGPKWZYOJXRI-WOSRLPQWSA-N 278.396 3.844 30 20 CHED CC(C)[C@H]1N(c2nc(Cl)c(C#N)s2)CC1(C)C 292660426 HFAPITMUGLNHJI-SECBINFHSA-N 269.801 3.539 30 20 CHED COCC1(CCN[C@@H](C)c2ccc(C#N)c(F)c2)CCC1 293626488 GEGHHZDIOHYKRD-ZDUSSCGKSA-N 290.382 3.555 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(Cl)cn1 294451880 HWGSQQOWXLJNOP-SNVBAGLBSA-N 266.772 3.515 30 20 CHED C=CCC[C@H](CC)Nc1cnn(C2CCOCC2)c1C 295192994 XNEBWHBIJBMLGA-AWEZNQCLSA-N 277.412 3.700 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(-c2ccnn2C)ccc1C 296272778 QPRSHUHTXKHLKR-UHFFFAOYSA-N 283.375 3.546 30 20 CHED C[C@@H](CCCCO)Nc1ccc(C#N)c(C(F)(F)F)c1 296319395 OEHPHBXWQLQUTQ-JTQLQIEISA-N 286.297 3.540 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc3cnccc3c2)C1 296585490 PYOHLUGPVVFCOM-IUODEOHRSA-N 251.333 3.729 30 20 CHED C=CCCc1noc(CCC(=O)c2ccc(Cl)cc2)n1 297441393 WEZLSXHKSDPXEY-UHFFFAOYSA-N 290.750 3.657 30 20 CHED CC[C@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297642417 CVYYJMRQXWOMQK-VIFPVBQESA-N 264.394 3.902 30 20 CHED Cc1ccccc1[C@H](O)CNc1ccc(Cl)cc1C#N 301225792 GFYZSBOIJYAZBI-MRXNPFEDSA-N 286.762 3.666 30 20 CHED CCOc1cccc(CNc2cc(C)cc(C#N)c2)c1 308153540 MDAGCCLVKZFSQL-UHFFFAOYSA-N 266.344 3.878 30 20 CHED N#CCCSCc1cccc(Br)c1 308260733 MGSKSKVMOJXOMB-UHFFFAOYSA-N 256.168 3.596 30 20 CHED Cc1cc(F)c(F)cc1OCCOc1cccc(C#N)c1 314308171 JECYGZHYTVKLNH-UHFFFAOYSA-N 289.281 3.603 30 20 CHED C[C@@H]1CC[C@@H](/N=C(/O)Nc2scnc2C2CC2)C1 328606333 KHQQBQRWYVKXCM-PSASIEDQSA-N 265.382 3.535 30 20 CHED OC1=N[C@H](/C(O)=N/[C@@H]2CCCCC23CCCC3)CC1 329793431 FRMCHFGAVWXHLV-NWDGAFQWSA-N 264.369 3.565 30 20 CHED CC(=O)c1c(C)cc(C)c(CN[C@@H]2CCC[C@H]2C#N)c1C 330813784 FMZBDBTZVKCPQA-DOTOQJQBSA-N 284.403 3.596 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(C#N)c(F)c2)C1 334156864 ZUQOPLCOWUGCJK-SCLBCKFNSA-N 295.361 3.675 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2ccccc2CC#N)c1 334409116 JNCXVFVHJKDBFR-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CCn1ncc2ccc(NC3CCC(C)(C#N)CC3)cc21 334756512 KWPWJXFIOOAQGS-UHFFFAOYSA-N 282.391 3.941 30 20 CHED Cc1cncc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 334921030 IIGDLTHESSBMCM-KUHUBIRLSA-N 291.398 3.990 30 20 CHED N#CC1(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)CCC1 335049232 YGLNNOMKLUQRDP-UHFFFAOYSA-N 298.361 3.525 30 20 CHED Cc1csc([C@H]2CCCCN2CC2(C#N)CCC2)n1 335216467 AEGMEHQFLWLEKX-CYBMUJFWSA-N 275.421 3.672 30 20 CHED CC1(C)CCCCN([C@H](C(=N)O)c2ccc(C#N)cc2)C1 336543503 FKCNAYVRPIMUGH-HNNXBMFYSA-N 285.391 3.647 30 20 CHED CCCC1(C(=O)Nc2ccc(C#N)cc2Cl)CC1 336789571 JNZCXJHJTUIKIO-UHFFFAOYSA-N 262.740 3.730 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc2ccccc2c1 337210505 UDRIWAVTXVJOEH-INIZCTEOSA-N 252.361 3.775 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@](C)(CC)C1 338828005 KKUUVVSHSSFUPE-KRWDZBQOSA-N 288.439 3.748 30 20 CHED Cc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1C#N 340601820 JPJYAHMNEORBJD-UHFFFAOYSA-N 292.260 3.860 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)o2)n1 341178324 VDUKQITXXOBWOW-PWSUYJOCSA-N 271.320 3.885 30 20 CHED CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 343246107 NJHJGDUWEHARGD-UHFFFAOYSA-N 292.338 3.585 30 20 CHED N#CCc1cccc(C(=O)Nc2nc3ccsc3s2)c1 344323637 IWJBJSLFPBBFPB-UHFFFAOYSA-N 299.380 3.676 30 20 CHED CCCC1(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 348729178 NSRRDJDOYJCPKP-UHFFFAOYSA-N 294.398 3.754 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2ncccc2c1 352516474 AFZBWYIDOZICNO-UHFFFAOYSA-N 268.360 3.567 30 20 CHED N#Cc1csc(CNC2(c3ccccc3)CCCC2)n1 352824022 PSMRQWYPMDUKJG-UHFFFAOYSA-N 283.400 3.574 30 20 CHED CCc1ccc2occ(C(=O)[C@H](C#N)c3ccccn3)c2c1 353521204 PPNUZNCIKHEQOG-CQSZACIVSA-N 290.322 3.880 30 20 CHED Cc1cc(CN(C)CC(C)(C)C#N)c2ccccc2n1 354009928 LBMAUZFNEJQXIG-UHFFFAOYSA-N 267.376 3.525 30 20 CHED Cc1nc(-c2nc(C3CCC(C)CC3)no2)ccc1C#N 356189114 OVVDCAOLTIZSOW-UHFFFAOYSA-N 282.347 3.605 30 20 CHED N#Cc1ccccc1CSCc1nc2ccccc2[nH]1 356812499 PXFSTBYMTLNZQY-UHFFFAOYSA-N 279.368 3.868 30 20 CHED Cc1c(COC(C)(C)C)cccc1NC(=O)CCCC#N 360315523 ISKIFIMWLXIIAJ-UHFFFAOYSA-N 288.391 3.943 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CCCC#N)cc1 360364728 NEODGPMYQPFQCD-DLBZAZTESA-N 284.403 3.783 30 20 CHED Cc1nsc(NCc2nc3ccccc3s2)c1C#N 360841581 ICZLPEQZMSYQKM-UHFFFAOYSA-N 286.385 3.545 30 20 CHED N#CCc1ccc(CN(CC2CC2)C2CCC2)cc1 361581596 HABHIUVZXCMZMG-UHFFFAOYSA-N 254.377 3.517 30 20 CHED Cc1cc(CSCc2noc(C3CC3)n2)ccc1C#N 362460223 IWMLUOORSODHNO-UHFFFAOYSA-N 285.372 3.561 30 20 CHED Cc1ccc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)s1 377253787 UOBPXXPZXWWBPT-QGZVFWFLSA-N 298.411 3.502 30 20 CHED C=CCCCCCCN[C@H]1CCCc2c1cnn2C 382375208 NOYHEZIQYSNOLU-HNNXBMFYSA-N 261.413 3.524 30 20 CHED CCCCCCCCCN1C[C@H]2CC[C@H]1[C@H](C(=O)O)C2 394630003 AHDABBCTMYLKKA-XHSDSOJGSA-N 281.440 3.922 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C)cc1Cl 410141219 FMOGDCKEFMOGIL-NSHDSACASA-N 251.757 3.733 30 20 CHED C[C@@H]1C[C@]1(NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 410361938 WTNMTTZEZIFHGA-BDJLRTHQSA-N 290.794 3.631 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCCCc1ccc(C)cc1 410830382 VARSQZSSRCBNBW-QGZVFWFLSA-N 286.419 3.859 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@@H](C)Cc1cccc(F)c1 410830753 WTBICNPTXNPXFX-XJKSGUPXSA-N 290.382 3.545 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)cc1CC#N)C(F)(F)F 410968443 NWJNHQPLMOCEKH-ZETCQYMHSA-N 290.672 3.543 30 20 CHED CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)c1cccc(C#N)c1 411898065 XZIPIJRXCGDHEI-BKTGTZMESA-N 292.382 3.521 30 20 CHED CC[C@H](NC1(c2cccc(C#N)c2)CC1)[C@H]1C[C@@H]1C 414092281 FPKMHXRKINMIJV-RCBQFDQVSA-N 254.377 3.572 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1(C)C 414336336 PJCLVVUGUCYTEG-APIJFGDWSA-N 278.440 3.641 30 20 CHED CC(C)c1ccsc1C(=O)N1CCc2cc(C#N)ccc21 416013475 CFAFQOBTTYHWGE-UHFFFAOYSA-N 296.395 3.946 30 20 CHED C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)[C@H]1C 416684664 AEGGCHHGNFWSIS-JYYAWHABSA-N 299.418 3.717 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H](C)c1ccc2c(c1)CCC2 419589330 PYYABPPXBPTUJT-OLZOCXBDSA-N 289.444 3.660 30 20 CHED CC[C@H](C)CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 420880562 QBIBTSHVDWXNNS-USXIJHARSA-N 299.418 3.514 30 20 CHED Cc1c(NC(=O)[C@H]2CCC(C)(C)C2)ccc(C#N)c1C#N 421564655 ZYTSYMIBHFLEPT-LBPRGKRZSA-N 281.359 3.503 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(-c2ccco2)cs1 424657775 FDQCKPHWWFJQFA-UHFFFAOYSA-N 276.361 3.944 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1ncc(C#N)cc1Cl 427898294 AFNKIRHBQYLTID-LLVKDONJSA-N 293.798 3.551 30 20 CHED CCc1occc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 430509539 JCDCLCIUEAYDPJ-LLVKDONJSA-N 288.372 3.912 30 20 CHED CC(C)c1ccc(CN(C)C(=O)NCC2(CC#N)CC2)cc1 431049780 QEULRFVIVPJKII-UHFFFAOYSA-N 299.418 3.645 30 20 CHED C=CCC[C@H](N=c1[nH]n2cc(C)nc2s1)c1ccccc1 434941363 BPAZCMKBMZXMDE-AWEZNQCLSA-N 298.415 3.641 30 20 CHED C=CCC[C@H](NC(=O)c1cccnc1OC)c1ccccc1 435290606 KZJGGPSYHLJZMN-INIZCTEOSA-N 296.370 3.528 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(-n3cccn3)c(Cl)c2)C1 442868860 OOUSCCIBXNBPAV-VXGBXAGGSA-N 286.766 3.630 30 20 CHED CC1(C)CCCCN(c2ncc(C#N)cc2Cl)C1 445675383 WWFPVLFIMYYJOS-UHFFFAOYSA-N 263.772 3.623 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)Cc1cccc(Cl)c1 449547623 JCTVCGZOPZWWIJ-WQVCFCJDSA-N 279.811 3.594 30 20 CHED C=CCC1(CN[C@H](C)[C@@H]2CCCOC2)CCCC1 449606386 QKRACCLMKNEOLA-HUUCEWRRSA-N 251.414 3.528 30 20 CHED COc1cc(CN(CC#N)C2CCCC2)ccc1Cl 450428875 XVMVRJJCDCYABR-UHFFFAOYSA-N 278.783 3.617 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 452777740 OTPWTIURGCCCEA-QWRGUYRKSA-N 277.330 3.684 30 20 CHED C=CCCCC[C@@H](C)NCC1([C@H](O)C(C)C)CC1 453176376 MPVMPRWIZUSJSQ-HUUCEWRRSA-N 253.430 3.508 30 20 CHED C=C(C)CCNC(=O)Nc1cc(C)cc2cccnc12 455046047 KBLHXUNEARQTEK-UHFFFAOYSA-N 269.348 3.631 30 20 CHED C=C(C)CCNC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F 455311297 NQVICYFAVYRAIH-NWDGAFQWSA-N 292.345 3.621 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](C)c1sc(CC)nc1C 455518356 GFHGYJNWSYFCAH-GFCCVEGCSA-N 295.452 3.683 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1O2 456028116 OUUSEGAABRIQRE-RCCFBDPRSA-N 299.414 3.549 30 20 CHED CC[C@H](NC(=O)CCc1ccc(C#N)cc1)C1CCCC1 456677138 BSFMSFDAQPUIPM-KRWDZBQOSA-N 284.403 3.576 30 20 CHED C=C[C@H](CC(=O)N(C)C1CC(C)(C)C1)c1ccccc1 458183673 KNQLMPZUDVSHPX-CQSZACIVSA-N 271.404 3.993 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@]1(C)CC=CCC1 458621533 ORIMCNQMGSERIR-DZGCQCFKSA-N 250.386 3.529 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1OC 459751545 HYAKTRMYUQDWNE-OWCLPIDISA-N 287.403 3.538 30 20 CHED O=C(NCC#Cc1ccccc1)NCCC1=CCCCCC1 464129690 KCRCOZCCQZKHNG-UHFFFAOYSA-N 296.414 3.618 30 20 CHED C=C[C@@H](C)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 465115895 QBLJDZZHZZQBLG-WDEREUQCSA-N 285.309 3.890 30 20 CHED C=C[C@H](C)NC(=O)c1cc(Cl)ccc1OC1CCCC1 465122554 UOPFTTZKPYATFX-NSHDSACASA-N 293.794 3.966 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1OC1CCCCC1 465146221 KTJPNEYTJGPMMQ-CYBMUJFWSA-N 273.376 3.702 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(N2CCCCCC2)c1 465257912 UYXCKDDEGZFPPO-AWEZNQCLSA-N 287.407 3.763 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1cccc(Cl)c1 466366595 JOZCXJCBLLSWCF-AWEZNQCLSA-N 280.799 3.836 30 20 CHED C=CCNC(=O)CN(c1ccccc1)[C@@H](C)c1ccccc1 468504133 DWVAAVMNOWGSQU-INIZCTEOSA-N 294.398 3.556 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC1CCCC1 471684553 HVWKDUYZZJVYQL-UHFFFAOYSA-N 286.419 3.965 30 20 CHED C=CCCCCCN(C)C(=O)NCCC1(C)CC1 472224020 QOLBUIZRDHOWNF-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CCCC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1 476101857 IPUJPWOTLYMMHK-QGZVFWFLSA-N 283.415 3.870 30 20 CHED C=CCCC1(C(=O)NCCc2nc3c(C)cccc3o2)CC1 476187721 HTFILLGNQIJCFT-UHFFFAOYSA-N 298.386 3.541 30 20 CHED N#CCn1c(/C=C/c2ccc(C#N)cc2)nc2ccccc21 486078915 WRSWWHIEQPAUOB-MDZDMXLPSA-N 284.322 3.602 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C#N)s2)CC1 487059907 PAKGQLOLLRFHEE-GFCCVEGCSA-N 290.432 3.908 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3ccc(C#N)c(C)n3)C2)cc1 487756375 CWRYJDLARLDMOU-KBXCAEBGSA-N 291.398 3.953 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3ccc(F)cn3)c2c1 488277497 GVPODDSDQGHLMK-UHFFFAOYSA-N 293.301 3.528 30 20 CHED C=CCCCCCN[C@@H](CCC)c1nnc2ccccn12 488305887 YXGONWPKSSDUTK-HNNXBMFYSA-N 286.423 3.907 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1nc(CC)c(C)s1 488491885 DVZAOUGBTAHFGF-NSHDSACASA-N 279.409 3.586 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccccc1CCC(F)(F)F 491731716 KQJUKHIISUDBQG-CYBMUJFWSA-N 297.320 3.713 30 20 CHED N#Cc1cccc(NC(=O)Cc2csc3ccccc23)c1 493475608 CFEXXKDWUCFOKU-UHFFFAOYSA-N 292.363 3.954 30 20 CHED C=CC[C@H](C(=O)Nc1cnn(C(F)F)c1)c1ccccc1 494845950 ORIMRRJYRAYBJT-ZDUSSCGKSA-N 291.301 3.577 30 20 CHED C=CCN(C(=O)CO[C@@H]1CCCC[C@H]1C)c1ccccc1 497575897 XXHSBZNUNCXXIY-NVXWUHKLSA-N 287.403 3.801 30 20 CHED C=CCCO[C@@H](C)C(=O)NCC(C)(C)C1CCCCC1 498888483 RXVJCGMKHIGICS-AWEZNQCLSA-N 281.440 3.690 30 20 CHED CC[C@@H]1CCCC[C@H]1NCCCC1(C#N)CCOCC1 499638971 ZIMOHHDISXSOBD-HZPDHXFCSA-N 278.440 3.645 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H]1C(C)(C)C 501207119 SVSDAKNCRRJGDG-MRXNPFEDSA-N 272.392 3.577 30 20 CHED CCC(CC)(NC(=O)[C@H](C)C#N)c1ccc(Cl)cc1 510401735 JQNSNXLZVZOKGG-LLVKDONJSA-N 278.783 3.631 30 20 CHED C=CCCCCCN(C)C(=O)NCC(C)(C)CCC#N 513145971 APJNHIPJZUXPKV-UHFFFAOYSA-N 279.428 3.704 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2nc(C)c(C)o2)cc1 515340015 DORMSWLXDSXDNW-CQSZACIVSA-N 272.373 3.827 30 20 CHED CC(C)Cc1ccc([C@@H](NC(=O)[C@H](C)C#N)C2CC2)cc1 524071038 XPEMEDYOYZRNJB-CXAGYDPISA-N 284.403 3.612 30 20 CHED Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1OC(C)C 532078729 DWMLBYNORICNBQ-UHFFFAOYSA-N 286.375 3.661 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](c1ccccc1)C(C)C)OCC 533703583 GPPBPQLWNQDGNB-AEFFLSMTSA-N 289.419 3.871 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)c1cc(C)cc(C)c1)OCC 533707317 BORAUKWFTKTJPF-NVXWUHKLSA-N 289.419 3.852 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC[C@@H](C)C1 540644471 JUJKXZDAAMCHOH-GDBMZVCRSA-N 287.403 3.646 30 20 CHED COc1ccc([C@H](C)N(C)Cc2ccc(CC#N)cc2)cc1 542209543 RPQHSHORUFYLQZ-HNNXBMFYSA-N 294.398 3.954 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H](SC)C(C)(C)C 543165724 BPNWSALIFMOHQD-QWHCGFSZSA-N 286.485 3.808 30 20 CHED C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1F 544121725 LNWOJKCQKKNOTH-GFCCVEGCSA-N 286.325 3.882 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(COc2ccc(C#N)cc2)n1 547105756 SFWOTLNSYDZPBH-WFASDCNBSA-N 297.358 3.814 30 20 CHED C=C(C)[C@@H](NC(=O)N1CCC1(C)C)c1ccc(F)c(F)c1 548185967 HQELXMHOBOQKCA-CQSZACIVSA-N 294.345 3.776 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CSc2ccccc21 550914900 XQWQMJSZCINZKK-GFCCVEGCSA-N 261.390 3.552 30 20 CHED C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C[C@H]1C 552161793 WNXDTOSADFWNQX-WZRBSPASSA-N 290.794 3.766 30 20 CHED CC#CCCCC(=O)Nc1cccc(-c2ncco2)c1C 552571250 TVSDSEFHWUPVSQ-UHFFFAOYSA-N 282.343 3.782 30 20 CHED Cc1cc(N2CCC[C@@H]2C2CCCCC2)cc(C#N)n1 552953582 XLIBCGKXSBFANF-QGZVFWFLSA-N 269.392 3.811 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccccc1CC#N 554752268 MHWMNCIGIJTRFM-GFCCVEGCSA-N 258.365 3.763 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)Cc1ccccc1 556228168 GPXKPIUVVCFAGK-UHFFFAOYSA-N 273.420 3.974 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N(C)c1cccc(C#N)c1 556810063 MCYCKXJHKRZDMF-UHFFFAOYSA-N 282.343 3.860 30 20 CHED CSc1ccc(CNc2cccc(C#N)c2)s1 558485171 OXLQBADFVTWZNF-UHFFFAOYSA-N 260.387 3.954 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@H]2CC[C@@H](C)C2)cc1 560708980 UPSQLGDDUZDNHT-ZBFHGGJFSA-N 287.403 3.694 30 20 CHED C=CCCCCCn1ccc2c([N+](=O)[O-])cccc2c1=O 566229205 KYJJDSMAFOZYAS-UHFFFAOYSA-N 286.331 3.656 30 20 CHED N#C[C@@]1(C(=O)Nc2cncc3ccccc23)CC12CCCC2 569196396 YREOGJOYWXWBAC-GOSISDBHSA-N 291.354 3.647 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@](C)(C#N)C2CCCCC2)C1 571706259 YTIOMWASFBXILF-JKIFEVAISA-N 276.424 3.791 30 20 CHED Cc1c(C(=O)N[C@@H]2CCC2(C)C)sc2ccc(C#N)cc12 572906750 GYDBLNUXTSFJTF-CQSZACIVSA-N 298.411 4.000 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)C2=C(c3ccccc3)CCCC2)C1 575982774 OPNVLJYXZFGQEE-GOEBONIOSA-N 294.398 3.823 30 20 CHED Cc1csc(NC(=O)N2CC(C)(C)[C@H]2C(C)C)c1C#N 577742607 AEOIGYFMTDACCH-GFCCVEGCSA-N 291.420 3.827 30 20 CHED Cc1cc(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc(C#N)n1 581079262 WKGGSPDEHQFWQX-HIFRSBDPSA-N 295.361 3.783 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C1(C#N)CCC1 581632707 GWZUZAWIJONLII-UHFFFAOYSA-N 294.807 3.610 30 20 CHED CC[C@H](C)n1ncc(N[C@H]2CC[C@H](C#N)C2)c1C1CC1 582339642 SHXNSZHMBXYBQM-OBJOEFQTSA-N 272.396 3.836 30 20 CHED Cc1ccc(C)c(OCCN2CCC(CCC#N)CC2)c1 582418187 JXKMCSJBFKKGFR-UHFFFAOYSA-N 286.419 3.698 30 20 CHED O=C(/C=C\c1cccc(C(=O)O)c1Cl)c1ccsc1 588559823 LWSJDDBOFZGTEP-PLNGDYQASA-N 292.743 3.996 30 20 CHED C#CCCC/N=C\c1cc(Cl)cc(Cl)c1O 588565445 XGMJTXCOLNPQGP-NVNXTCNLSA-N 256.132 3.531 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)C1CC2(CCC2)C1 592607117 HWTOCGXJQOWSJV-GOSISDBHSA-N 296.414 3.598 30 20 CHED CC[C@@H](C#N)C(=O)N(C)C1CCC(C(C)(C)C)CC1 593404626 ZYUNLZHXPADHGC-HSBZDZAISA-N 264.413 3.599 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H](C#N)CC 593427517 MXRTYLUWIZKYSK-HIFRSBDPSA-N 258.365 3.536 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 593616395 ITWBVNWVMBXAOK-GJZGRUSLSA-N 284.403 3.553 30 20 CHED CC(C)C[C@@H](C)NC1CCN(Cc2cccc(C#N)c2)CC1 593692369 DQIUYGXQWKCEFW-MRXNPFEDSA-N 299.462 3.547 30 20 CHED CCN(CC(C)(C)C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 594035416 LVJCHTPTMRLSIO-CQSZACIVSA-N 286.419 3.631 30 20 CHED CC[C@H](OCCN(C1CC1)[C@@H](C)C#N)c1ccccc1 595709280 DEFJYSKSCFCUKW-YOEHRIQHSA-N 272.392 3.531 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CC#N)C1 597903590 LARFYTXJJSKQHJ-JCGIZDLHSA-N 296.414 3.505 30 20 CHED C[C@H](c1noc(CC2(C#N)CCCCC2)n1)c1ccco1 598681986 OWNMBAVGYNGXHD-LBPRGKRZSA-N 285.347 3.831 30 20 CHED Cc1ccc([C@@H](C)CNC(=O)c2ccccc2CC#N)cc1 601206284 UJJVJNVAJMQTEV-HNNXBMFYSA-N 292.382 3.595 30 20 CHED CCCc1nc(CNc2cc(F)cc(C#N)c2)cs1 601923349 JAHSKUOPEVTDJR-UHFFFAOYSA-N 275.352 3.718 30 20 CHED CCC1=NN(c2ccc(C#N)c(Cl)c2)C(=O)[C@@H]1C(C)C 601950505 VGONQBQMUOJXEI-CQSZACIVSA-N 289.766 3.596 30 20 CHED N#CC1(C(=O)Nc2cscc2Cl)CCCCC1 602222948 RTQKGXVQKCTDSG-UHFFFAOYSA-N 268.769 3.814 30 20 CHED CC(C)Oc1ccc([C@@H](C)NCc2cccc(C#N)n2)cc1 602516154 IVGKMFJXTOSNKF-CQSZACIVSA-N 295.386 3.591 30 20 CHED CCCC1CCC(NC(=O)NCc2ccc(C#N)cc2)CC1 604364746 XVXMGNJPFCKTBT-UHFFFAOYSA-N 299.418 3.716 30 20 CHED C=CCCCCCN(C)CCc1ccc([N+](=O)[O-])cc1 610079893 HRARYOFDVXWORY-UHFFFAOYSA-N 276.380 3.816 30 20 CHED CCC(C)(C)C1CCC(NC2CCN(CC#N)CC2)CC1 610270948 WRKBKJPKKHLVQX-UHFFFAOYSA-N 291.483 3.559 30 20 CHED CC[C@@H](C)CN(C)c1c(C#N)cnc2c(C)cccc12 610277932 MJMMYORXFPTTDH-GFCCVEGCSA-N 267.376 3.897 30 20 CHED C[C@H](NC(=O)c1cccc2c1CCC2)c1cccc(C#N)c1 610361146 RVVUZHZIMRYBPX-ZDUSSCGKSA-N 290.366 3.538 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC[C@@H]1CCCOC1 610897178 RIBHFNZODRRIRV-KBPBESRZSA-N 290.432 3.777 30 20 CHED Cc1cc(C)c([C@@H](C)N2CC[C@](F)(C#N)C2)c(C)c1 615644440 FXDAVLIKBBEPNI-ZBFHGGJFSA-N 260.356 3.610 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccccc2OC2CC2)C1 617778464 HAQUVEIMELKKKY-CQSZACIVSA-N 285.387 3.656 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 617784459 SKTCCYPSPREBGX-CQSZACIVSA-N 287.378 3.672 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(O)c1 619673640 NZCPQMMRVLNXJP-XIKOKIGWSA-N 278.355 3.602 30 20 CHED C=CCN(C(=O)CCCOc1ccccc1F)C(C)(C)C 622943693 MTFYBFMVYWQMOC-UHFFFAOYSA-N 293.382 3.798 30 20 CHED C=CCCCN[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 639117442 DFORTPFKXQCIML-MJGOQNOKSA-N 284.447 3.910 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc3oc(C)nc23)C1 640241404 ZGHWZOPKSUOVEB-ZDUSSCGKSA-N 299.374 3.956 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 653094295 ZYDRZHKKMVBJFK-MNOVXSKESA-N 292.345 3.571 30 20 CHED C=CCC1(NCc2ccc(CC)s2)CCOCC1 657633591 RAFKAMFZQPNFIV-UHFFFAOYSA-N 265.422 3.525 30 20 CHED C=CCC[C@@H](NC[C@@H](CO)c1ccc(Cl)cc1)C1CC1 672619772 DUTUAFVYUZXZAA-DOTOQJQBSA-N 293.838 3.750 30 20 CHED C=CCN(CCc1ccccc1)Cc1cc(C)ccn1 683003986 HUUIQNQRFDTKPA-UHFFFAOYSA-N 266.388 3.621 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc2c(c1)OCCCO2 695842945 NTFGRZMWHIXUED-GFCCVEGCSA-N 274.364 3.588 30 20 CHED CCCCCCCNCc1csc([N+](=O)[O-])c1 703748625 PRTVPPVVIGIKLQ-UHFFFAOYSA-N 256.371 3.716 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 708548748 JXCXNOGUJUOPNP-OAHLLOKOSA-N 274.383 3.955 30 20 CHED CC(C)[C@H](C)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 726455270 KZLLZOMXHPHOGG-JTQLQIEISA-N 295.839 3.885 30 20 CHED C#CCCCOC(=O)COc1ccccc1[C@H](C)CC 727042320 ZWQPVJGLNKKYKS-CQSZACIVSA-N 274.360 3.536 30 20 CHED Cc1ccccc1CCC(=O)OCc1cc(C#N)ccc1F 729013264 JVXSYYUAOWIWMC-UHFFFAOYSA-N 297.329 3.682 30 20 CHED O=C(O)c1ccc(NN=C(Cc2ccccc2)C2CC2)cc1 729145442 LFHQMWPEKQTLIB-UHFFFAOYSA-N 294.354 3.805 30 20 CHED C=CCCOC(=O)CCOc1cc(C)cc(C)c1C 730690420 INNWBGCZHINCTB-UHFFFAOYSA-N 262.349 3.500 30 20 CHED CC(C)[C@H](C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 733697512 IECCJKFWRHNQJR-ONGXEEELSA-N 290.363 3.904 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 733748735 IGRKCLKWEISOBC-QPJJXVBHSA-N 273.313 3.861 30 20 CHED COc1ccc(C#N)cc1NC(=O)C=C1CCC(C)CC1 734101863 NHWSPZZOYGKIEO-UHFFFAOYSA-N 284.359 3.642 30 20 CHED C=CCN(C(=O)C[C@@H]1CCc2ccccc21)C(C)C 734394353 WUMAQOPDZNLJOW-HNNXBMFYSA-N 257.377 3.530 30 20 CHED C=CC[C@H](C)NC(=O)/C=C/c1ccccc1O[C@H](C)CC 735068148 UDNUOTVAKMJKDS-LTNMDHOVSA-N 287.403 3.958 30 20 CHED C#CCOc1ccccc1OC(=O)c1cc2occc2s1 736015233 WOWIRKHKZGEWEX-UHFFFAOYSA-N 298.319 3.726 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)c1ccsc1 739141808 CYTXRAYQUSRSRD-CMPLNLGQSA-N 295.367 3.604 30 20 CHED CC(=NNCC(F)F)c1cccc(Cl)c1Cl 740617747 NZLOCGJCEYNUAE-UHFFFAOYSA-N 267.106 3.572 30 20 CHED C[C@@H](C/N=C\c1ccccc1O)Cc1cccs1 741465262 TVLAAKBFKKCWBO-COOUDCDJSA-N 259.374 3.751 30 20 CHED CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(F)cc1 742368271 BODYBGXEBUFVDH-QGZVFWFLSA-N 298.361 3.947 30 20 CHED C[C@H](NN=C1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 743435263 AIRSGFJDDBKEHS-DUVNUKRYSA-N 272.392 3.528 30 20 CHED COc1ccc2oc(C)c(C(=O)OCC3(CC#N)CC3)c2c1 744276922 RUQGIWABGSHAOH-UHFFFAOYSA-N 299.326 3.601 30 20 CHED CC(=NN=Cc1ccc(Cl)cc1Cl)c1cnccn1 745202385 YQWKXWUBCODXHS-UHFFFAOYSA-N 293.157 3.627 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)C#Cc2ccccc2)c(C)c1 747355211 KPPKUGKTRCUWNN-KRWDZBQOSA-N 291.394 3.875 30 20 CHED C=CCN(C(=O)CC[C@H](C)c1ccccc1)C(C)C 749754553 DCRWDVSCXOGKRK-HNNXBMFYSA-N 259.393 3.993 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)[nH]1)c1ccc(F)cc1Cl 752496350 RZTJWIJPRMPMDO-QMMMGPOBSA-N 292.697 3.597 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@H]1c1cc(C)ccc1C 753246224 IZCOYSQLGZDTKH-WBVHZDCISA-N 284.403 3.562 30 20 CHED C#C[C@H](CC)NC(=O)C1(c2cccc(Cl)c2)CCCC1 754680672 YXBMNONGEFYFPT-OAHLLOKOSA-N 289.806 3.680 30 20 CHED C#CC[C@H](Nc1nc(C(C)C)ns1)c1ccccc1 756957649 YHHBSXYFHXVPAV-ZDUSSCGKSA-N 271.389 3.838 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1F)c1cscn1 758061888 FESBBNTUJMLDLA-HSFFGMMNSA-N 277.295 3.874 30 20 CHED C=CCC(CC=C)C(=O)N(CCc1ccccc1)C1CC1 758462515 ZXVZBHPQZCYBST-UHFFFAOYSA-N 283.415 3.989 30 20 CHED C#CCCCCNC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 758680306 BDXYFFBYQXKEKT-MRXNPFEDSA-N 290.382 3.626 30 20 CHED C#CCCCC(=O)OCCCSCc1ccccc1 759166104 GLZYOTNDBNMEIT-UHFFFAOYSA-N 276.401 3.657 30 20 CHED CCCc1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1 760445998 YXRVNXQDZITOKT-UHFFFAOYSA-N 282.303 3.558 30 20 CHED C#CCCCCc1nc(-c2ccc(OC(C)C)cc2)no1 761676168 ZVBAKINFUULNQM-UHFFFAOYSA-N 284.359 3.870 30 20 CHED CCC[C@H](C)c1noc(Cc2ccccc2CC#N)n1 761837623 WQYSFRMULAFREQ-LBPRGKRZSA-N 269.348 3.630 30 20 CHED O=C(/C=C/c1ccccc1OC(F)F)c1ccco1 762305035 LPPDOSHYUSYCFE-BQYQJAHWSA-N 264.227 3.777 30 20 CHED C#CC[C@H](NC(=O)[C@@H](CCC)C(C)C)c1ccccc1 764232736 JSZGSXQCXOZXKD-IRXDYDNUSA-N 271.404 3.940 30 20 CHED Clc1cc(Cl)c2c(c1)CCC2=NNc1cnccn1 764684227 OOHDBKJASPOVPN-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C#CCN(C(=O)N[C@H](CC(C)C)c1ccccc1C)C1CC1 764727197 JQKUONNWLUZWOF-GOSISDBHSA-N 298.430 3.889 30 20 CHED CC(C)O[C@@H]1CC(=NNc2nncc3ccccc23)C1(C)C 764884245 DORIZDMHNLGBFT-OAHLLOKOSA-N 298.390 3.621 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@@](C)(O)C1 767132506 VWNGDVYNVXBCAR-QGZVFWFLSA-N 283.456 3.891 30 20 CHED FC(F)(F)CNN=C1CC(c2ccc(Cl)cc2)C1 769824189 GVGNUNIHFDQRNE-UHFFFAOYSA-N 276.689 3.725 30 20 CHED Cc1ccc(C=NNc2ccc(Br)c(F)c2)o1 769827513 BPBVYAJGGJIKSB-UHFFFAOYSA-N 297.127 3.936 30 20 CHED CCCCCOc1ccc(C(=O)/C=C/c2ccn(C)n2)cc1 773154944 OQGGBSDQBGSVPD-DHZHZOJOSA-N 298.386 3.885 30 20 CHED N#CCc1ccc(COC(=O)c2cccc3cc[nH]c23)cc1 776110456 REMMGNNDGWPUGM-UHFFFAOYSA-N 290.322 3.591 30 20 CHED Cc1ccc(-c2c[nH]cc2C(=O)OCCCC#N)s1 778433036 KPTAAZAWDLIGLN-UHFFFAOYSA-N 274.345 3.512 30 20 CHED Cc1cc(NN=Cc2ccc(Oc3ccccc3)o2)ncn1 779776250 NQYODKIOYFJBRS-UHFFFAOYSA-N 294.314 3.616 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cnn(C)c1 779825580 ZEQSSBIPBKLCRP-UHFFFAOYSA-N 270.380 3.554 30 20 CHED C#CCOc1ccccc1CNCc1cc(Cl)cs1 785471566 VTOVLRIQBGVNMI-UHFFFAOYSA-N 291.803 3.703 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H](C)c1cc(C)c(C(=O)OC)o1 785761291 IQXPJKDMALWNCH-BDJLRTHQSA-N 294.347 3.581 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@@H](C)c1cc(C)c(C(=O)OC)o1 785761295 IQXPJKDMALWNCH-MEDUHNTESA-N 294.347 3.581 30 20 CHED C=CCCN(C)C(=S)Nc1ccc(F)c(Cl)c1 786084542 WHJCAGSHEADTDZ-UHFFFAOYSA-N 272.776 3.684 30 20 CHED CC(C)(C)c1cnc(C=C2C(=O)c3ccccc3C2=O)s1 790598829 PJPSJDRVXHJKDG-UHFFFAOYSA-N 297.379 3.903 30 20 CHED CO[C@H]1CCOc2c(N=Cc3ccccc3O)cccc21 790598872 QJUDRAPZXDYSQC-INIZCTEOSA-N 283.327 3.613 30 20 CHED C[C@]1(C=NNc2ccc(OC(F)F)cc2)CCCS1 793005524 WBWXFWGLFYMXSP-CYBMUJFWSA-N 286.347 3.971 30 20 CHED Cc1nc2c(s1)C(=NN[C@H](C)C(C)(C)C)CCC2 793114320 FVYGNICZHUDLIY-SECBINFHSA-N 265.426 3.516 30 20 CHED CC(C)[C@@H]1CCCC(=NN[C@H](CO)c2ccccc2)C1 794538673 UUZUNSRYHJKWBS-NVXWUHKLSA-N 274.408 3.512 30 20 CHED CC(=NNCCC(F)(F)F)c1cc(C)c(F)c(C)c1 794546129 RBAJHSLXGQYRLJ-UHFFFAOYSA-N 276.277 3.709 30 20 CHED FC(F)(F)CCNN=Cc1ccc2ccccc2c1 794553629 VUUACXLINLURLW-UHFFFAOYSA-N 266.266 3.716 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccc3[nH]c(C)cc3c2)c1 794690439 WJAROMSIUCCZNP-ODLFYWEKSA-N 294.354 3.810 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc3occc3c2)c1 796316255 PMTNJRKPYMEQAT-UHFFFAOYSA-N 280.302 3.733 30 20 CHED Cc1ccc(C[C@H](OC(=O)c2ccc(C#N)o2)C2CC2)cc1 796927194 IRAOLWGTWCLGRH-KRWDZBQOSA-N 295.338 3.638 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1CCOC[C@H]1C 797079607 PUBOTHQFPPDBQK-PMPSAXMXSA-N 253.430 3.774 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1)C1CC1 797570598 IMVUMJWFZSXNSJ-UMAGTOLTSA-N 288.416 3.973 30 20 CHED N#Cc1ccnc(SCCSCc2ccccc2)c1 798235776 JMCSBJSKUFNARL-UHFFFAOYSA-N 286.425 3.979 30 20 CHED C[C@H]1CCC[C@H]1CNCc1ccc(O[C@H](C)C#N)cc1 798503396 JDBNRJHHUCTKDD-LZWOXQAQSA-N 272.392 3.503 30 20 CHED C#CCC1(C(=O)NC[C@H]2CCC[C@@H]2C)CCCCC1 798683873 VXCBUNXSXPFUMK-LSDHHAIUSA-N 261.409 3.513 30 20 CHED C#C[C@H](NC(=O)c1cccc(-c2nc(C)cs2)c1)C(C)C 799045740 QWYKFOOJPSSSHL-HNNXBMFYSA-N 298.411 3.506 30 20 CHED CCO[C@@H]1CC(=NOCc2ccccc2OC)C12CCC2 799118644 OJIIBJGNLWAXCH-MRXNPFEDSA-N 289.375 3.547 30 20 CHED CN1C(=O)/C(=C\c2ccccc2C#N)c2cc(Cl)ccc21 799501772 OQDIQBPMOMUPSZ-NVNXTCNLSA-N 294.741 3.729 30 20 CHED Cc1cc(NN=C(CCC(C)C)C2CC2)nc(C)n1 802709726 JDMSDDICMJCYSB-UHFFFAOYSA-N 260.385 3.708 30 20 CHED C=C(C)CCOC(=O)c1cc2ccccc2cc1NC(C)=O 803245145 SBOXBYOJTKPWLO-UHFFFAOYSA-N 297.354 3.921 30 20 CHED N#CCCCCCC(=O)NCC1CCCCCCC1 805166809 OZXHSIIPKGJQNH-UHFFFAOYSA-N 264.413 3.937 30 20 CHED C=CCCCCCCN[C@H](C)c1cnc(C)nc1C 806168053 UWDHOVSABNYFBC-CYBMUJFWSA-N 261.413 3.881 30 20 CHED N#CCn1c(/C=C\c2ccc(Cl)nc2)nc2ccccc21 806563260 ULFSRQSJRXZMNZ-VURMDHGXSA-N 294.745 3.779 30 20 CHED CCCCC[C@](C)(CC)C(=O)Nc1n[nH]c(C)c1C#N 807394516 QUCRDGBXTKVPBJ-HNNXBMFYSA-N 276.384 3.525 30 20 CHED CCCCCCCCCC(=O)Nc1ccnnc1OC 809376671 NRJLQUVLYPHTPG-UHFFFAOYSA-N 279.384 3.564 30 20 CHED C#Cc1ccc(CNC2CCC(N3CCCCC3)CC2)cc1 809625135 YPNGOFGGKRVEFQ-UHFFFAOYSA-N 296.458 3.555 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(Cl)cc1 811948398 DWCYOPPZHKIESI-QXSJWSMHSA-N 287.790 3.567 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccc(F)cc2)CS1 814693190 ANOLHWYGGLIHLR-ZDUSSCGKSA-N 252.358 3.755 30 20 CHED N#Cc1cccc(COc2cccc(Cl)c2[N+](=O)[O-])c1 814775784 XBVJIMJHDCMNJT-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C(=NNc1cnc2ccccc2n1)c1cccc2cc[nH]c12 814829879 NCTWBLOCXQZJAK-UHFFFAOYSA-N 287.326 3.557 30 20 CHED Cc1cc(Cl)cc(C=NNc2nccnc2Cl)c1 814850398 LYKHIALGHQUYTC-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C[C@@H](C=NNc1nccnc1Cl)C1CCCCC1 814850496 PYOUIDUKKUHREX-JTQLQIEISA-N 266.776 3.744 30 20 CHED COc1cccc(NN=C2CC[C@@H](c3ccccc3)C2)n1 814900142 GANWSBOQXPKGSO-CQSZACIVSA-N 281.359 3.826 30 20 CHED Cc1nc(Oc2cccc(C=O)c2Cl)ccc1C#N 814903108 RWQIWQFVYQTSOF-UHFFFAOYSA-N 272.691 3.520 30 20 CHED CCCn1cccc1C=NNc1ccc(F)c(F)c1F 814945212 QOKAGMAJHKANFV-UHFFFAOYSA-N 281.281 3.761 30 20 CHED Fc1ccc(NN=C2CCC23CCC3)c(F)c1F 814946395 LRSQXZCISFICFQ-UHFFFAOYSA-N 254.255 3.836 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccccc2CC#N)n1 815705646 UHTZJJNAZGSPIX-UHFFFAOYSA-N 281.359 3.580 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CC2CCC1CC2)c1nc2ccccc2o1 815915092 CSCVDECYVPJOMB-PQAZSJQKSA-N 294.354 3.830 30 20 CHED C=CCC(F)(F)C(=O)Nc1sc(CCC)nc1C 816193620 VAWPOTDINTYLIC-UHFFFAOYSA-N 274.336 3.554 30 20 CHED C=CC[C@@H]1N(C(=O)C(F)(F)CC=C)CCCC1(C)C 816500380 RXFCYHRNRPVMTR-LBPRGKRZSA-N 271.351 3.791 30 20 CHED C[C@@H]1CCCC1=NNc1cc(Cl)nc(Cl)c1 819831184 JUZNOYNABRAGMK-SSDOTTSWSA-N 258.152 3.976 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1ccccc1 820590803 JDZQALBVEDGRCT-HZPDHXFCSA-N 284.403 3.581 30 20 CHED C=CCC1(C(=O)N(C)Cc2c(C)noc2C)CCCCC1 822461141 QDILEHAVQPPVCQ-UHFFFAOYSA-N 290.407 3.776 30 20 CHED C=CC[C@@H]1N(C(=O)c2nccc3[nH]ccc23)CCCC1(C)C 834547862 LDOIZAMOXYWAJZ-HNNXBMFYSA-N 297.402 3.770 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@@]1(C)CC1(Cl)Cl 836911691 JWYHOSGYMBIKCY-RYUDHWBXSA-N 278.223 3.679 30 20 CHED CC(C)(NC(=O)C#CC1CC1)c1ccc(Cl)c(Cl)c1 837376095 GJSBBISYMDWAGZ-UHFFFAOYSA-N 296.197 3.758 30 20 CHED CCOc1ccc(Cl)c(NC(=O)C#CC(C)(C)C)c1 837680147 OUGZEBAZSJYBIY-UHFFFAOYSA-N 279.767 3.727 30 20 CHED COc1cc(Cl)ccc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839049717 SCBHRHXWUADXOO-PWSUYJOCSA-N 293.750 3.588 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3ccccc3)[nH]2)C1 839052291 PUWOTFFKODJMPH-ZFWWWQNUSA-N 294.354 3.921 30 20 CHED Cc1cc(F)ccc1OC(=O)[C@]1(C#N)CC12CCCC2 839309124 AXHIKILIOFLTLE-MRXNPFEDSA-N 273.307 3.514 30 20 CHED CC(=NOCc1ccccc1)c1ccc(-n2ccnc2)cc1 839418945 IDSHBKCVEBTCHJ-UHFFFAOYSA-N 291.354 3.813 30 20 CHED Cc1ccc(Br)c(OC(=O)CC(C)(C)C#N)c1 839433422 HJZXZEIQMWFFBF-UHFFFAOYSA-N 296.164 3.603 30 20 CHED CO[C@@H]1CCC[C@H](C(=O)OCCC2(C#N)CCCCC2)C1 840577282 LXRSHMCZHXWAMT-LSDHHAIUSA-N 293.407 3.599 30 20 CHED C[C@H](CCCc1cccnc1)/N=C/c1ccccc1O 840709828 GJVKCHZYDJUNER-NFECSFHCSA-N 268.360 3.618 30 20 CHED CC(C)(CC#N)CNC(=S)Nc1ccc(Cl)cc1 840845811 QRXDPWKLRGCGDS-UHFFFAOYSA-N 281.812 3.566 30 20 CHED CCC(=NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1C 841633496 KSVALTROHOHXLG-WCBMZHEXSA-N 265.288 3.568 30 20 CHED C[C@H]1CCc2sc(NC(=O)C(F)F)c(C#N)c2[C@H]1C 844546948 BXRLJELIHORVOM-BQBZGAKWSA-N 284.331 3.509 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(Cl)c(C)cc1Cl 844570663 CYJUVUXFVGUQDT-QMMMGPOBSA-N 289.162 3.929 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)[C@@H]1C[C@@H]1C 844624497 YJWMCUHBJSFVIP-JOYOIKCWSA-N 260.337 3.527 30 20 CHED C=CCC[C@@H](C)OC(=O)[C@@H](C)Cc1ccc(C#N)cc1 847671886 JZWOPWQOAWOXCE-UONOGXRCSA-N 271.360 3.635 30 20 CHED CC[C@H](OC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(F)(F)F 847721420 HHOYPEBIXGHQBJ-GWCFXTLKSA-N 299.292 3.621 30 20 CHED C=CCC[C@H](C)OC(=O)CC[C@H]1CC1(Cl)Cl 849876068 NVFIMGBGCVTUNR-UWVGGRQHSA-N 265.180 3.858 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccnc2ccccc12 851207338 BVDGKQOBASRHJW-LBPRGKRZSA-N 282.343 3.720 30 20 CHED CC(C)c1ncc(C(=O)O[C@H](C)CC(C)(C)C#N)s1 851208176 PCNAFQDKZQVKLK-SNVBAGLBSA-N 280.393 3.752 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cccc2cnccc12 851210915 ZRRXHWOJKXNLGP-GFCCVEGCSA-N 282.343 3.720 30 20 CHED C=C[C@@H](OC(=O)CSCCC)c1ccccc1 851452242 IEIVBGRQHBKUJS-CYBMUJFWSA-N 250.363 3.600 30 20 CHED CC1(C)C[C@@H](NN=C2CCC(C3CCC3)CC2)CCO1 853335611 CCHFJLUQDHWUJE-WMCAAGNKSA-N 278.440 3.880 30 20 CHED C=C(Cl)COc1c(NC(C)=O)c2cccc(C)c2n1C 853699405 DERVMMOOEJLKTF-UHFFFAOYSA-N 292.766 3.576 30 20 CHED C=CCCc1noc([C@H](CC)N(C)C(=O)OC(C)(C)C)n1 854063468 APLYFIFWCJHQJU-NSHDSACASA-N 295.383 3.506 30 20 CHED C#C[C@@](C)(CC)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 854697387 AYLHVYUOQXIFFN-NHYWBVRUSA-N 297.320 3.727 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(C(C)C)cc1 861996086 KUHJLZWHEIHJEM-HNNXBMFYSA-N 286.419 3.811 30 20 CHED CCCCCCCNC(=O)CCc1ncc(C(C)(C)C)o1 862356956 JXMVCUVFLQAFAW-UHFFFAOYSA-N 294.439 3.991 30 20 CHED CCCCCCCNC(=O)c1cccnc1C1CC1 862357917 MTXRGBGAKFQKJV-UHFFFAOYSA-N 260.381 3.659 30 20 CHED FC(F)(F)c1sccc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 863104358 CLJNRVZJQCGCQH-ATZCPNFKSA-N 288.338 3.879 30 20 CHED CCCC(=NOC[C@H]1CCOC1)c1cc(C)sc1C 863107279 KDOJGZSFEBRSCG-ZDUSSCGKSA-N 281.421 3.922 30 20 CHED Cc1nc(C)c(C#N)c(SCSC(C)(C)C)n1 871646978 ZVJITDBCNKWMRG-UHFFFAOYSA-N 267.423 3.546 30 20 CHED CCCCN(CCCC)C(=O)Nc1cc(CC#N)ccn1 871720560 INHHZCPRBOGWHW-UHFFFAOYSA-N 288.395 3.582 30 20 CHED Cc1ccnc(NN=CC2([C@H]3CCCCO3)CCC2)c1 872356519 QVDWTEVZFIEHPN-CQSZACIVSA-N 273.380 3.527 30 20 CHED CC(CCOCc1ccccc1)=NNc1cccc(F)n1 872373505 IVJADVDQFYHNNY-UHFFFAOYSA-N 287.338 3.615 30 20 CHED CN(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1ccc(C#N)c(Cl)c1 876168180 KQWCRFOLHLOVRY-SUNKGSAMSA-N 288.778 3.611 30 20 CHED Cc1c(Cl)cccc1CN1CCC[C@H](CC#N)C1 877622562 QKWVPJMRHSPSHE-CYBMUJFWSA-N 262.784 3.774 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H]1CCCC(F)(F)C1 879872410 HVVFIZQDAYKKLS-LLVKDONJSA-N 259.340 3.530 30 20 CHED C#CCCCCC(=O)N1Cc2ccccc2[C@H]1CC 890613473 ZEJJNWDIUCJZLW-MRXNPFEDSA-N 255.361 3.674 30 20 CHED C=C1CCC(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 891987108 NAYXSGFWZQPXGX-AWEZNQCLSA-N 282.387 3.824 30 20 CHED C=C1CC(c2noc(C3(C(F)F)CCCC3)n2)C1 896876145 DHFOHGFONYSGGU-UHFFFAOYSA-N 254.280 3.580 30 20 CHED CCCCCCCNC1CCC(CC(=O)O)CC1 902061699 UNUFSCHAFLOYJU-UHFFFAOYSA-N 255.402 3.580 30 20 CHED CC[C@H](NCc1ccc([C@@H](C)O)cc1)c1cccc(C#N)c1 902762010 DLEZXQQVHUCDOL-KUHUBIRLSA-N 294.398 3.852 30 20 CHED CC(C)(C#N)CCCOc1cc(Cl)cc(C=O)c1 902900707 LKQLOWSGMCYTLC-UHFFFAOYSA-N 265.740 3.861 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)NCC1(C#N)CCC1 903032383 RTZMAJBWQGAWGY-LLVKDONJSA-N 277.437 3.919 30 20 CHED C=CC[S@](=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 905169227 WJWDZIOXOKJKGQ-AYVTZFPOSA-N 263.189 3.989 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@H]1[C@@H](C)c1ccccc1 908644335 WNZOBTZRABBPFC-YOEHRIQHSA-N 296.418 3.545 30 20 CHED N#CCCCCOC(=O)c1ccc(OC2CCCC2)cc1 914953008 PZAFLVAUPBKWPG-UHFFFAOYSA-N 287.359 3.859 30 20 CHED CC(=NNc1ccc(F)cc1F)c1scnc1C 915110129 NDKGQACKXDPBKB-UHFFFAOYSA-N 267.304 3.566 30 20 CHED C#CCOc1ccccc1C=NNc1cc(C)ccc1C 916346709 QAHXASFNKAOLIN-UHFFFAOYSA-N 278.355 3.761 30 20 CHED C=CCOc1cccc(CNc2ccc(C)cn2)c1 916840153 SWDAEZCFIQPTIU-UHFFFAOYSA-N 254.333 3.567 30 20 CHED CCCC(=O)[C@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 916955487 RBYVRSNQZANZNU-WFASDCNBSA-N 286.375 3.648 30 20 CHED COc1ccc(CNN=C(C)c2cccc(Cl)c2)cc1 917547469 SAMMEDGQZJPVSA-UHFFFAOYSA-N 288.778 3.862 30 20 CHED COc1cccc(/C=N/[C@H]2CCc3cc(F)ccc32)c1O 920174937 RKKXQSVHEADKEU-RPJLVFAOSA-N 285.318 3.646 30 20 CHED CCON=Cc1cccc(OCc2ccccc2F)c1 920371008 DSBVTWVGDJCCQP-UHFFFAOYSA-N 273.307 3.775 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cc(C)ccc1O 920386158 SJIRNCNKKAFGGQ-CYBMUJFWSA-N 268.360 3.775 30 20 CHED Cc1[nH]c2ccccc2c1C=NNCc1ccc(F)cc1 1116291792 VYDQBUQHPKENAR-UHFFFAOYSA-N 281.334 3.739 30 20 CHED CC(C)[C@H](C#N)C=NNc1ccccc1C(F)(F)F 1116348407 WHLAZBKJFZVZEA-SNVBAGLBSA-N 269.270 3.899 30 20 CHED CN(c1cccc(CC#N)n1)[C@H]1CCC[C@H]1c1ccccc1 1118003877 JDRYIWGKLQFNIW-ROUUACIJSA-N 291.398 3.920 30 20 CHED C=C(C)CCC(=O)OCC1(c2ccccc2)CCOCC1 1122992394 HHJXWSQAWMSZID-UHFFFAOYSA-N 288.387 3.634 30 20 CHED CC[C@](C)(CNc1c(Br)cccc1C#N)OC 1163347288 WHIOLLBUQBUAIG-CYBMUJFWSA-N 297.196 3.548 30 20 CHED N#Cc1ccnc(COc2cc(C(F)(F)F)ccc2F)c1 1189546350 WAQMVLRCXZSAQA-UHFFFAOYSA-N 296.223 3.690 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)Nc1ccc(C#N)cc1 1214157208 YOHZKKZGAFOACC-UHFFFAOYSA-N 291.354 3.715 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cccc2c1CCC2 1249459543 ZHVVTVAHKCIWJE-UHFFFAOYSA-N 276.383 3.679 30 20 CHED C#C[C@H](CC)NC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 1261660465 OJHPQDRPMQFRMJ-ZHALLVOQSA-N 296.414 3.509 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)[C@H](CC#N)c2ccccc2)C1 1264797014 JFFJERGPRAEVIA-BFYDXBDKSA-N 284.403 3.626 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(SC(F)(F)F)cc1 1319572099 KTXRLBZDLQPORY-MRVPVSSYSA-N 290.310 3.995 30 20 CHED COc1cc(C#N)ccc1CSCc1ncccc1C 1319858690 JKUMVGOURYKQIJ-UHFFFAOYSA-N 284.384 3.704 30 20 CHED C=CC(C)(C)CNC(=O)NCc1cccc(C(F)F)c1 1325359168 OBAFXPJIJUVDKE-UHFFFAOYSA-N 282.334 3.636 30 20 CHED Cc1cccc(OCc2nnc(-c3cc(C#N)cs3)o2)c1 1326079851 OMTNIHDYWRACCH-UHFFFAOYSA-N 297.339 3.557 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1cccnc1N(C)C)C2=O 1326878075 YTFLIFIBNAPJIV-YBEGLDIGSA-N 292.382 3.587 30 20 CHED CCC[C@@H]1C[C@@H](c2nnc(-c3cccc(C#N)c3)o2)CCO1 1326941634 WOTZMERQRBPXFS-LSDHHAIUSA-N 297.358 3.671 30 20 CHED C=C(C)CCOC(=O)C(F)(F)c1ccccc1C 1328700111 KLVOUHANCDFLLZ-UHFFFAOYSA-N 254.276 3.596 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(C(F)(F)F)ccc1Cl 1329947642 GOKFSKIWQPLCEA-QMMMGPOBSA-N 291.656 3.818 30 20 CHED CC(C)C[C@@H]1C[C@H]1c1nnc(-c2ccc(C#N)cc2)o1 1330102391 ZCHJTSAUDVKZJB-ZIAGYGMSSA-N 267.332 3.758 30 20 CHED C=C(C)CCC(=O)N(CCCCOC)Cc1ccccc1 1335739489 LYVYKKGCLCWWEP-UHFFFAOYSA-N 289.419 3.798 30 20 CHED C#CCCCCCC(=O)NCCc1c[nH]c2ccc(C)cc12 1336246107 HMZNUBJPRDXYSE-UHFFFAOYSA-N 296.414 3.719 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)[C@@H]1CCCC[C@H]1C 1336953438 HQKACSOBJJFDBP-MLGOLLRUSA-N 288.366 3.738 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)cc1F)C1CCCCC1 1340180387 XJAKUOWMGCOGSE-UHFFFAOYSA-N 288.366 3.881 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cc2ccc(C)cc2o1 1343643113 IGBSFELIJDNYIS-GXTWGEPZSA-N 259.349 3.593 30 20 CHED Cc1ocnc1C(=O)O[C@@H](C)CCCC#C[Si](C)(C)C 1344234154 IJJKSNYGPAJAPG-LBPRGKRZSA-N 293.439 3.579 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc(F)cc2F)C1 1347999288 MQUSTVXVCKVWGW-QWHCGFSZSA-N 293.357 3.883 30 20 CHED C=C(CC)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@@H](C)CC 1350909043 VBHXYCRLNLELJF-XHDPSFHLSA-N 285.391 3.733 30 20 CHED C=C(C)CCC(=O)N(C)Cc1nc2ccccc2s1 1353376213 AIWLTIISHUMAKE-UHFFFAOYSA-N 274.389 3.611 30 20 CHED Cc1ccnc(SCc2cc(C#N)ccc2F)c1 1459254277 QADFWSHQQYWXPQ-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CCC(CC)CN(CC)C(=O)Nc1sccc1C#N 1466982538 MAJBUPAPSZAOEA-UHFFFAOYSA-N 279.409 3.910 30 20 CHED N#C[C@@H]1CCCN(CCCc2c(F)cccc2Cl)C1 1474703694 CTDRAJBZZWFYBO-LBPRGKRZSA-N 280.774 3.647 30 20 CHED Cc1ccoc1COC(=O)c1cccc(SCC#N)c1 1534325254 UVBODZCAWQVAIO-UHFFFAOYSA-N 287.340 3.561 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc(C)c(F)c1 1535606375 CQKOJXVDVINRRK-CQSZACIVSA-N 287.290 3.907 30 20 CHED Cc1nc(NCC23CCC(CC2)C3)c(Cl)cc1C#N 1559155395 HMZGVSJKGYNBEG-UHFFFAOYSA-N 275.783 3.907 30 20 CHED CC1(C#N)CN(Cc2ccc(C3CCCC3)cc2)C1 1559798837 CQVBHZBCIURAPL-UHFFFAOYSA-N 254.377 3.690 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCCC[C@@H]2c2ccccc2)C1 1560898000 UVROVLWGPWETBK-DZOHQFGASA-N 268.404 3.995 30 20 CHED CN(CCC1CC1)C(=O)c1c(Cl)cc(C#N)cc1Cl 1566523638 WMUXOCJZYOUCKU-UHFFFAOYSA-N 297.185 3.737 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1F)c1ccncc1 1588181224 YNJKUWPFBRBQQQ-UHFFFAOYSA-N 297.333 3.539 30 20 CHED C=CC[C@@H]1CC[C@H](N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)C1 1588457966 NOVDNHFJFZVQFT-DLTLXFJOSA-N 285.387 3.634 30 20 CHED N#CC1(CCCCSc2ncc(C(=O)O)s2)CCC1 1608174688 ALODDOAETOJDNW-UHFFFAOYSA-N 296.417 3.798 30 20 CHED N#Cc1ccc(SCCc2cnoc2)cc1C(F)(F)F 1613667927 SEKFTORBXHDEEI-UHFFFAOYSA-N 298.289 3.900 30 20 CHED CC(C)(C)[C@@H]1CSCCN1Cc1cccc(C#N)c1F 1620536417 UNBLCZYCXRXMJI-AWEZNQCLSA-N 292.423 3.661 30 20 CHED CCCOC1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCCC1 1621313570 GYQBOGYIXPUYIH-HZPDHXFCSA-N 278.440 3.788 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc2[nH]ccc2c1 1625074152 JZWCEICGRMSLDO-UHFFFAOYSA-N 275.311 3.600 30 20 CHED Cc1nc(N2CC[C@@H](C(C)(C)C)C[C@@H]2C)ccc1C#N 1642746197 QPIJVOWGTKJJDB-SWLSCSKDSA-N 271.408 3.913 30 20 CHED Cc1cc(C)nc(CSc2cccc(C#N)c2)c1 1652688418 HMFXQLALTACMKN-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(F)c(C#N)c1 1668160853 PVAJWIJGSYHGGV-ZBEGNZNMSA-N 289.354 3.788 30 20 CHED CC(C[C@@H]1C=CCC1)=NNc1ccc(F)c(C(=O)O)c1 1776064203 CVEUCXWGDJPLRC-LLVKDONJSA-N 276.311 3.668 30 20 CHED O=C(O)c1ccc(F)c(/C=C\C(=O)c2ccc(F)cc2)c1 1776131498 SKJFUOBAPBXNHF-YWEYNIOJSA-N 288.249 3.559 30 20 CHED C=CC(C)(C)CCCNc1ncnc2cc(C(=O)O)ccc12 1776147428 YXDHADUTRACJLF-UHFFFAOYSA-N 299.374 3.732 30 20 CHED C=CCn1c(SCc2ccccc2C#N)nnc1C1CC1 4345298 IKYBUINSYIORIU-UHFFFAOYSA-N 296.399 3.505 30 20 CHED CCN(Cc1cccc(C#N)c1)c1ccc(F)c(F)c1 108255466 JUJYWWYOTFVONG-UHFFFAOYSA-N 272.298 3.863 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2cccc(C#N)c2C)s1 178579062 RYNMBUXVCNONGJ-UHFFFAOYSA-N 299.399 3.901 30 20 CHED N#Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 179272765 JFGMONVXSBGDNA-KZNAEPCWSA-N 296.414 3.781 30 20 CHED C=CCC[C@H](NCc1ccc(N2CCCC2=O)cc1)C1CC1 178673151 UQMYZCQOVCIAOO-SFHVURJKSA-N 298.430 3.648 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)c1)c1ccc(F)c(F)c1 50056206 PMFSWWOTSXPCEJ-JTQLQIEISA-N 287.265 3.754 30 20 CHED C[C@@H](C(=O)N(CCC#N)CC1CC1)c1ccc(Cl)s1 176238314 YEBUBTKJLARHCK-SNVBAGLBSA-N 296.823 3.657 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1cc(F)ccc1F 174107879 FZPZKVXORCQNMJ-LLVKDONJSA-N 284.302 3.552 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2ccc(O)cc2)c1 107066889 VKMGVTXAEFBQIX-VMPITWQZSA-N 252.313 3.905 30 20 CHED N#Cc1ccc(OCc2nc(Cl)ccc2Cl)cc1 61639422 OLOVEAUSFISHIY-UHFFFAOYSA-N 279.126 3.839 30 20 CHED COc1cccc(/C=C/C(=O)c2occc2C)c1OC 119038330 NCJMUQLMOWZJPR-BQYQJAHWSA-N 272.300 3.501 30 20 CHED C#C[C@H](NC1CC(c2cccc(Cl)c2)C1)C(C)C 302448528 XCZJPUQXKICNAA-BCLQGDPASA-N 261.796 3.833 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C)cc1Br 162109833 HJZKPBMQDJTPAS-UHFFFAOYSA-N 294.192 3.572 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 178799972 NMGQUZAQZJTYRA-LZWOXQAQSA-N 287.407 3.765 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)c1cccc(O)c1)c1ccccc1 179355289 MFRILZNPTGOSKT-HUUCEWRRSA-N 295.382 3.929 30 20 CHED C#CCCCNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 174122742 NNYOZYBCEZMZDP-AWEZNQCLSA-N 278.783 3.504 30 20 CHED C[C@@H](Cc1ccco1)Nc1ccc(C#N)c(Cl)c1 61846171 OQMOFGRQJQCZDG-JTQLQIEISA-N 260.724 3.848 30 20 CHED CCc1ccc([C@@H](CO)N[C@@H](C)c2cccc(C#N)c2)cc1 305779095 MWUKKQNLADRHKJ-IFXJQAMLSA-N 294.398 3.505 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1nc2ccccc2s1 26263171 PGPHEVFWDNWGHW-UHFFFAOYSA-N 293.395 3.800 30 20 CHED C=CCN1CCC(c2c[nH]c3ccc(OC)cc23)CC1 66436405 LPXLZJKMLDLIQJ-UHFFFAOYSA-N 270.376 3.542 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1c(F)cccc1Cl 301480343 DIYZNVGYYBBTAC-SECBINFHSA-N 275.714 3.919 30 20 CHED C=CCC(CC=C)C(=O)N1CCCN(C)c2ccccc21 177162064 HJVORKSYWPLJRD-UHFFFAOYSA-N 284.403 3.628 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H](c2ccc(F)cc2)C1 301573591 PMXZGOWKNKGEJO-CYBMUJFWSA-N 284.309 3.830 30 20 CHED C=C(C)CN(CC)c1nc(C(F)(F)F)cs1 301716709 HEKCHSNGJKXIFI-UHFFFAOYSA-N 250.289 3.564 30 20 CHED Cc1ccccc1C1(CNc2c(C#N)cccc2C#N)CC1 302894712 QLKQDZXHOKKISV-UHFFFAOYSA-N 287.366 3.882 30 20 CHED Cc1cc(C)cc(N/C(N)=N\C[C@@H](C)c2ccccc2)c1 303788665 UMDNDIYZQWZHFE-OAHLLOKOSA-N 281.403 3.834 30 20 CHED C=CCCCC(=O)N[C@@H](C1CCCC1)C(F)(F)F 177625120 SZESRRNCDZPLAF-LBPRGKRZSA-N 263.303 3.580 30 20 CHED C=CCC[C@@H](NCC[C@H]1CCCO1)c1ccccc1 178756444 GOYNSUZGIIHBBY-IAGOWNOFSA-N 259.393 3.853 30 20 CHED Cc1cc(F)ccc1CCNc1ccc([N+](=O)[O-])cc1C#N 301568569 NFBTVAMOLYSZSQ-UHFFFAOYSA-N 299.305 3.569 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(COCC)c1 187956439 DZYCSWHDIYDCGS-INIZCTEOSA-N 261.365 3.764 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(Cl)cc1OC 188338270 OLNVPEBWIRDNIM-OAHLLOKOSA-N 281.783 3.567 30 20 CHED CC(=O)Nc1ccccc1CNc1cc(Cl)ccc1C#N 78377107 UTTIHMJPRFVFMF-UHFFFAOYSA-N 299.761 3.782 30 20 CHED CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(OC)cc1 185753744 NWPPFTNKSGQZKA-QRTARXTBSA-N 272.392 3.818 30 20 CHED CCCN(CC#N)Cc1ccc(Oc2ccccc2)o1 180424986 WNVNRWVWSNWNCV-UHFFFAOYSA-N 270.332 3.807 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1-n1nccc1C 184585399 WRLWDZDOFLTYCP-UHFFFAOYSA-N 298.390 3.611 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CCC[C@H]21 413837561 QZNOQKUBJOYKQA-KZNAEPCWSA-N 298.430 3.758 30 20 CHED C=C(C)CCSc1n[nH]c(CCC2CCCC2)n1 505655209 BSVLJBBWOLPDJA-UHFFFAOYSA-N 265.426 3.986 30 20 CHED CC(=O)Nc1cc(NCc2ccc(C#N)cc2F)ccc1C 79171831 PNDCIDXWMRAIJU-UHFFFAOYSA-N 297.333 3.576 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 189593989 YJUQCOWNBQMVEA-ZWKOTPCHSA-N 283.415 3.708 30 20 CHED N#Cc1ccccc1CN1CC=C(c2ccc(F)cc2)CC1 39203931 QTQBNMUOCKFDCP-UHFFFAOYSA-N 292.357 3.987 30 20 CHED CC(C)CN(CCC#N)Cc1cccc(F)c1Cl 124120402 ANFBAPUPYKVAPV-UHFFFAOYSA-N 268.763 3.851 30 20 CHED Cc1cc(C#N)ccc1CNC(C)(C)c1nc(C)c(C)s1 186301390 XKZXASATUPXMPX-UHFFFAOYSA-N 299.443 3.965 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CC=CCC1)c1ccccc1 188134233 HROUDMLSRVYPIX-IRXDYDNUSA-N 269.388 3.961 30 20 CHED C[C@H](Cc1ccccc1F)N[C@H](C)c1ccc(C#N)cc1 128559512 JTUCHJMASDBZAN-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED N#CC1(CCN2CCC(C(F)F)CC2)CCCCC1 411326966 NRSARCANKJJGLP-UHFFFAOYSA-N 270.367 3.828 30 20 CHED C#CCCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 70190983 VVUKEHYEFFBHCX-QMMMGPOBSA-N 260.139 3.806 30 20 CHED Cc1cccc(CCCN(CCC#N)Cc2ccccn2)c1 181137297 OJYMBMIXPDCJEW-UHFFFAOYSA-N 293.414 3.739 30 20 CHED C[C@@H]1CCCN(c2ccccc2OCC2(C#N)CCC2)C1 418862470 GUZAMUOEHKMDHB-OAHLLOKOSA-N 284.403 3.996 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cccc(C#N)c2)C1 215590718 RTTNFIQGCXRIPT-MAUKXSAKSA-N 282.387 3.599 30 20 CHED N#Cc1ccccc1OCCC1(C#N)CCCCC1 418771113 XQMPDTIKFBQJBQ-UHFFFAOYSA-N 254.333 3.801 30 20 CHED C=C(Br)CN[C@@H](c1ccccc1)C(C)C 158683926 JFDQKAPLGRTBRM-CYBMUJFWSA-N 268.198 3.882 30 20 CHED C[C@@H](Nc1ccccc1-n1cccn1)c1cccc(C#N)c1 315527863 VDOQCRHQSUTGNX-CQSZACIVSA-N 288.354 3.917 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](C)CCC(C)(C)C 509414765 IKOKLSJHNMQKLO-GFCCVEGCSA-N 272.392 3.811 30 20 CHED Cc1ccc2oc(CN(CC#N)Cc3ccco3)cc2c1 133755023 QHKLVYUQKHDNDM-UHFFFAOYSA-N 280.327 3.860 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1ccc(C2CCCC2)cc1 417615107 WQRQTVZHSUFCFF-KRWDZBQOSA-N 287.403 3.853 30 20 CHED C=CCN(C(=O)[C@@H]1CCOc2ccccc21)c1ccccc1 76776541 HQOPRSZUMYEVBB-QGZVFWFLSA-N 293.366 3.772 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1O[C@@H](C)C#N 186943574 CSBNXFSKFZFIHI-AHIWAGSCSA-N 286.375 3.598 30 20 CHED Cn1ccnc1SCc1ccccc1C(C)(C)C#N 135998380 FLBRKHXJTZZMEE-UHFFFAOYSA-N 271.389 3.514 30 20 CHED N#Cc1ccnc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 342550352 XLGOJHPJPUZJAZ-NWDGAFQWSA-N 283.297 3.734 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 79908271 JCGQZOUZDXVUEV-OAHLLOKOSA-N 294.379 3.581 30 20 CHED Cc1cc(C)n(-c2ccc(OCC3(C#N)CCC3)cc2)n1 419114053 HMYWMLRPGPFEFH-UHFFFAOYSA-N 281.359 3.562 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H]2C2CCCCC2)cc1 610271516 VJTBLRSNGVILIS-IRXDYDNUSA-N 254.377 3.617 30 20 CHED CCN(C(=O)c1ccc(C)o1)[C@@H](C)c1ccc(C#N)cc1 45499327 OHGGJQOYKCHHLU-ZDUSSCGKSA-N 282.343 3.683 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCN(C)[C@@H](C)C1 226866462 MQUZITCUZLYBOY-JYJNAYRXSA-N 254.462 3.808 30 20 CHED COc1ccc([C@@H](C)CC(=O)Nc2ccccc2C#N)cc1 40643344 KWBNMSRBWLIMBO-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED C=CCC[C@H](NC(=O)CC[C@@H]1CCOC1)c1ccccc1 133752030 ZXBPENQVXYFVMI-WBVHZDCISA-N 287.403 3.627 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CSCCC(C)C 49495877 GUNQJCBWOOJQCT-UHFFFAOYSA-N 276.405 3.585 30 20 CHED Cc1nc(C2CC2)oc1C(O)=Nc1ccc(C)c2cn[nH]c12 329728021 CORKTLJBSBMUDD-UHFFFAOYSA-N 296.330 3.681 30 20 CHED N#C[C@@H]1CCC[C@@H]1N/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329618755 GFWLCWBQJVSOTP-NPJQDHAYSA-N 289.423 3.541 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cc(Br)ccc1O 134931762 UHKZXDHRMVBJCX-ZJUUUORDSA-N 284.197 3.770 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1ccc(Cl)s1 42240393 XPJAYNGERUCDRV-MRVPVSSYSA-N 263.753 3.841 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1C 510497306 UWISULWBPNBPSV-BBRMVZONSA-N 270.376 3.565 30 20 CHED C=CCN(C)Cc1cc(Cl)c(OCCC)c(OC)c1 428392292 ZCFKZNJEAOUJNR-UHFFFAOYSA-N 283.799 3.755 30 20 CHED C=C[C@@H](C)N[C@H]1CCc2cc(Br)cc(C)c21 381328084 RWDMTRBMXDVEGX-MFKMUULPSA-N 280.209 3.909 30 20 CHED C=CCCCCCSCc1cc(=O)n2ccsc2n1 192531990 OOXICTZEURQKCW-UHFFFAOYSA-N 294.445 3.736 30 20 CHED O=C1/C(=C/c2cncs2)Cc2cc(Cl)ccc21 130102457 JXYNXFAAEDVHID-WEVVVXLNSA-N 261.733 3.619 30 20 CHED C#CCCCC(=O)Nc1cc(Cl)ccc1SC 192231424 DXAXTLWFCRSAKG-UHFFFAOYSA-N 267.781 3.804 30 20 CHED Cc1cscc1CN=c1ccc2cc(C#N)ccc2[nH]1 519797434 ZTGZNKNHYPZFJN-UHFFFAOYSA-N 279.368 3.510 30 20 CHED N#C[C@@H]1CCC[C@H]1/N=C(/O)Nc1ccc(C2CCC2)cc1 330226314 UKMLADMAEIZQRF-GOEBONIOSA-N 283.375 3.972 30 20 CHED N#CCCCCNCc1cnc(-c2ccsc2)s1 84658825 XLSBOZXKWXJLQD-UHFFFAOYSA-N 277.418 3.655 30 20 CHED Cc1csc(NC(=O)c2cccc3c2CCC3)c1C#N 514944774 DPXGAMZLUGXRRE-UHFFFAOYSA-N 282.368 3.669 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C)cc1Cl 192488137 WRDOYJIQYGKRET-UHFFFAOYSA-N 264.756 3.854 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC)cc1C 335696845 ZHQWPVVZDRKUHY-ZDUSSCGKSA-N 274.364 3.576 30 20 CHED C=CCCN1CCC(Oc2ccccc2Cl)CC1 338938814 FJFZJABEZAALBD-UHFFFAOYSA-N 265.784 3.759 30 20 CHED CCC(CC)CN(CCC#N)Cc1c[nH]nc1C(C)(C)C 93101028 YUYMQFAOTGGTGR-UHFFFAOYSA-N 290.455 3.859 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N[C@H]3CCC[C@@H]3C#N)oc12 331752013 GVQKCAHINKJWLH-KGLIPLIRSA-N 296.370 3.780 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1)c1ccc(C)nn1 421722625 PGFSHXKRHYDFHJ-UHFFFAOYSA-N 295.386 3.675 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC1(C)C 337375272 UTRGKIPZZRKWPX-MRXNPFEDSA-N 284.403 3.589 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@H]1OCCc2sccc21 426344371 IHPBLLZXNKHVHI-WFGGJUAMSA-N 279.449 3.941 30 20 CHED CCC1(C)CN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 334728884 JLXVOAZODQKPQH-UHFFFAOYSA-N 291.782 3.670 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1/N=C(/O)C[C@@H]1CCC(=O)[C@H]1C 330011629 JGAVTRUPWNMWAY-YXWQFLTLSA-N 295.423 3.542 30 20 CHED CC[C@H](C#N)N[C@@H](COc1ccccc1F)C(C)(C)C 435919787 BLWXOJDOYJRJGT-DOMZBBRYSA-N 278.371 3.511 30 20 CHED Cc1ccc(C#N)c(NC[C@@]2(C)C[C@@H]2c2ccccc2)n1 338738641 IEASBGPSCHDBDA-SJLPKXTDSA-N 277.371 3.867 30 20 CHED CC(C)(CNC(=O)[C@]1(C#N)CC12CCCC2)C1CCCC1 333581381 RKTGLNLXHXMCTN-GOSISDBHSA-N 288.435 3.793 30 20 CHED C[C@H](N[C@@H](C)c1ccncc1F)c1cccc(C#N)c1 338015793 VXMUFCPJMXZVDV-RYUDHWBXSA-N 269.323 3.504 30 20 CHED CS[C@@H]1CCCCN(c2ccc3cc(C#N)ccc3n2)C1 92923687 PFBLSAPMVBECLV-OAHLLOKOSA-N 297.427 3.828 30 20 CHED CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1 438092033 HWAXXDOZSRIFCO-UHFFFAOYSA-N 297.320 3.811 30 20 CHED CSCCCCCCNC(=O)Nc1ccc(C#N)cc1 182370442 PGRPOAISUQTREE-UHFFFAOYSA-N 291.420 3.603 30 20 CHED C/C=C/c1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1 334362605 KPCUZYJSVAKIMQ-ONEGZZNKSA-N 283.375 3.877 30 20 CHED COc1ccc(CN2CC3(CCC3)[C@H]2C(C)C)cc1C#N 430108613 UKGIGCKGYMMRSI-QGZVFWFLSA-N 284.403 3.577 30 20 CHED Cc1noc(C)c1CNc1ccc(C(F)(F)F)cc1C#N 92330905 BUVBSNADKZCXDH-UHFFFAOYSA-N 295.264 3.794 30 20 CHED C[C@H]1OCC[C@@H]1Sc1ccc(C#N)c(Br)c1 235653273 TYGZKMLEMWICFU-PELKAZGASA-N 298.205 3.590 30 20 CHED Cc1cc(CN(Cc2ccccn2)C(C)C)ccc1C#N 521950941 NSQXJDXONIRITR-UHFFFAOYSA-N 279.387 3.672 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccncc1Cl 527717727 BINRMCHGLVGKKZ-QGZVFWFLSA-N 297.789 3.774 30 20 CHED C=CC1CCN(C(=O)[C@@H](CC)Sc2ccccc2)CC1 521955568 NSDZTLWGMFYPKT-MRXNPFEDSA-N 289.444 3.982 30 20 CHED C[C@H](NC(=O)[C@H](C)c1cccc(F)c1)c1ccc(C#N)cc1 525113966 GFVAFQBXDGNRTL-OLZOCXBDSA-N 296.345 3.678 30 20 CHED N#CC1(F)CCN(Cc2c(Cl)oc3ccccc23)CC1 348716297 RINAYBZUJJKQJM-UHFFFAOYSA-N 292.741 3.914 30 20 CHED C=CCOCCCN1CC[C@@H](c2cccc(Cl)c2)C1 433298682 PHLOQDUIPLGNRA-OAHLLOKOSA-N 279.811 3.722 30 20 CHED CCN(Cc1ccccc1Br)CC1(C#N)CC1 343317155 CPRRYCMPMRGCHI-UHFFFAOYSA-N 293.208 3.575 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccccc1OCC 436296914 WALMOPZGFBDQIR-RKVPGOIHSA-N 289.419 3.717 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(F)cc1SC 602354654 YVMYBYGGHXOLIP-UHFFFAOYSA-N 280.368 3.816 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)C1CCCCC1 436306701 IXKWBDZHTOEXHG-ZACQAIPSSA-N 265.441 3.916 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCOc3c(Cl)cccc32)C1 248816546 KZEBNSZANQZIGX-XUJVJEKNSA-N 290.794 3.836 30 20 CHED C=CCC[C@@H](NCCN1CCCC[C@@H]1CC)C1CC1 438986732 RIQOJNQXCMZEEC-DLBZAZTESA-N 264.457 3.585 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](c1ccccc1)C(C)C 436072132 FKZIQSPLWFNHIV-MRXNPFEDSA-N 282.343 3.587 30 20 CHED C[C@H](CC1(C#N)CCOCC1)Nc1ccccc1Cl 602489171 HKYRZZCIFBVFIP-GFCCVEGCSA-N 278.783 3.851 30 20 CHED N#Cc1cccc(N[C@H]2CCCOc3cc(Cl)ccc32)n1 342780338 GBDOQZWQCFHYJP-AWEZNQCLSA-N 299.761 3.932 30 20 CHED CC(C)c1n[nH]c(CSc2ccc(Cl)cc2C#N)n1 601911762 IYUIYNIOTJKBER-UHFFFAOYSA-N 292.795 3.745 30 20 CHED CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC1(CC#N)CC1 602802404 RARQPXKCJHBSLX-IUODEOHRSA-N 292.810 3.699 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(OC)c2OC)o1 255639065 DBLOMQDHNPDTIA-NTMALXAHSA-N 286.327 3.755 30 20 CHED C=C(Cl)CN1CCc2ccc(Br)cc21 606296983 VNLMCDQSBRDTIT-UHFFFAOYSA-N 272.573 3.564 30 20 CHED Cc1nc(CON=Cc2ccccc2OC(F)F)cs1 255840608 CHSUHFSBHZVOEQ-UHFFFAOYSA-N 298.314 3.604 30 20 CHED C=CC[C@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12 444241178 JMWMTCKBWFLLGS-AWEZNQCLSA-N 295.386 3.639 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccccc1[N+](=O)[O-])C2 255513894 FJKWHMIRWYFEFY-GXDHUFHOSA-N 279.295 3.726 30 20 CHED CC(C)N(CCC#N)C(=O)CCc1ccc2ccccc2c1 522585137 GYBQBMKQSYTCTH-UHFFFAOYSA-N 294.398 3.923 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1 449177070 ORXWLVPWMAUHQY-MKSNKDDYSA-N 285.497 3.791 30 20 CHED CC[C@H](C)n1ncc(Nc2ccc(C#N)cc2[N+](=O)[O-])c1C 357637154 PRVMCWGELLQYNN-JTQLQIEISA-N 299.334 3.686 30 20 CHED CCN(CCCCC#N)c1ccc(Cl)c(F)c1 440618838 WRONZKWOWHZZIR-UHFFFAOYSA-N 254.736 3.999 30 20 CHED C=C1CCN(C(=O)c2ccc3ccccc3c2)CC1 354131714 SBEODGZIUFAHFK-UHFFFAOYSA-N 251.329 3.632 30 20 CHED C=C(CC)CS[C@H](C)C(=O)N1CCc2ccccc2C1 358631351 AQKGHBRGRLHIQV-CQSZACIVSA-N 289.444 3.659 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(CCC#N)Cc1ccccn1 609142776 MDVCCKDMDFWDIK-HOTGVXAUSA-N 299.418 3.540 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCOc2ccccc2C1 609822931 VLRLIWVVGWBUAE-AWEZNQCLSA-N 278.355 3.514 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 532695156 AZTYZUPJBBWVQX-KEYYUXOJSA-N 278.440 3.893 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2CSc3ccccc32)C1 449367630 XOGQQOVBOGHNMG-MCIONIFRSA-N 272.417 3.548 30 20 CHED CCC(CC)(CC)CNC(=O)NCC(C)(C)CCC#N 354378971 DHDDLKYMRXENJX-UHFFFAOYSA-N 281.444 3.832 30 20 CHED CS[C@H]1CCCCN(CC#Cc2ccc(Cl)cc2)C1 441127771 CHGGPFZQOBEUGF-INIZCTEOSA-N 293.863 3.909 30 20 CHED C=C(C)CCNCc1cccc(OCc2ccccn2)c1 449472532 FRKBHMDPGSDNSF-UHFFFAOYSA-N 282.387 3.716 30 20 CHED Cc1nc(CNc2cccc(C#N)c2C)c(C)s1 443461669 OIDCIGYVUYJSMV-UHFFFAOYSA-N 257.362 3.552 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[C@@H](C)CC1 443593759 PRVDHVNLBMBANR-IUODEOHRSA-N 285.391 3.957 30 20 CHED C=CCC(C)(C)CNC(=O)C1CCC(OC(F)F)CC1 352520127 VLMSXAQJAVMWGT-UHFFFAOYSA-N 289.366 3.503 30 20 CHED C[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 611618151 ANKRXXSREJQROZ-SWLSCSKDSA-N 270.376 3.562 30 20 CHED N#Cc1cnc(NCc2ccc3ccccc3n2)c(Cl)c1 358878777 VHSVDWUQJJNMJB-UHFFFAOYSA-N 294.745 3.767 30 20 CHED C=CCN(CC=C)C(=O)CSCCCCC(F)(F)F 269865511 SQEFWMZLTDCKOH-UHFFFAOYSA-N 295.370 3.653 30 20 CHED CC(C)C[C@@H]1C[C@H](NC2CCC(C)(C#N)CC2)CCO1 449253332 SLYYITKCDWVLNH-JCCCHCCOSA-N 278.440 3.642 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3occc32)cc1Cl 619755234 URSKYYHXSZUASC-OAHLLOKOSA-N 286.762 3.972 30 20 CHED CCN(C(=O)[C@@H]1CC[C@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 537328185 AGEYDNUIAVOVCR-GRDNDAEWSA-N 284.403 3.904 30 20 CHED CCCC(=O)Nc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1C 442874263 MJONCXSKXXDAPM-UONOGXRCSA-N 285.391 3.838 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)s2)[C@H]1c1ccccc1 610520694 HZVWVUPVZRSCES-HNNXBMFYSA-N 296.395 3.843 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cccc(Nc2ccccc2)c1 358063060 IVBFPJZBIVRCBO-HNNXBMFYSA-N 293.370 3.852 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCc2cc(F)c(F)c(F)c21 449148385 KDYOKXCYSBKJGK-LDYMZIIASA-N 255.283 3.645 30 20 CHED Cc1nc(Sc2nccn2C(C)C)c(Cl)cc1C#N 359846382 VQSNNXKKFTWAEH-UHFFFAOYSA-N 292.795 3.844 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCCC[C@@H]1SCC)OCC 534413189 CRCMCNAOROXUPS-KKUMJFAQSA-N 299.480 3.538 30 20 CHED Cc1ccc(CN(C)Cc2ccc(OCC#N)cc2)s1 264525685 BQRVRMSRPKSVMG-UHFFFAOYSA-N 286.400 3.591 30 20 CHED C=CCCCSCC(=O)Nc1cc(C)ccc1C 265427181 REBKLICPKYRCLN-UHFFFAOYSA-N 263.406 3.941 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)C1CCCC1 610521660 LMIOLLLZPWVZHQ-KXBFYZLASA-N 298.430 3.844 30 20 CHED C=CC[C@H](C(=O)N1[C@H]2C=CC[C@H]1CC2)c1ccccc1 368754600 WIMBLBGILPVSBC-ULQDDVLXSA-N 267.372 3.666 30 20 CHED CC[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(C#N)cc1 365204999 RDVATSRBUIHAFF-XMTFNYHQSA-N 298.430 3.803 30 20 CHED CC[C@@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 264441632 ANAUJJREIIAEIV-VXGBXAGGSA-N 276.405 3.923 30 20 CHED C=CC[C@@H](C(=O)NC[C@H]1CCCC1(F)F)c1ccccc1 452801738 DZWXYDXLGZOEBG-HUUCEWRRSA-N 293.357 3.898 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(Cc3ccccc3)CC2)C1 278509666 BGLNNZNBTNBSBA-QZTJIDSGSA-N 268.404 3.633 30 20 CHED Cc1csc(CNC(=O)C[C@H](CC#N)c2ccccc2)c1 452728184 AGVMYWICRBPCIN-HNNXBMFYSA-N 298.411 3.760 30 20 CHED CC#CCCNC(=O)Nc1ccc(F)cc1OC(C)(C)C 542695575 BOBCFXMMZJOHEQ-UHFFFAOYSA-N 292.354 3.538 30 20 CHED CC(C)C(NC(=O)c1ccc(Cl)c(C#N)c1)C(C)C 612482797 QWSWESMGWBHLEN-UHFFFAOYSA-N 278.783 3.622 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1cccs1 455515637 BJGNQZUHOPASDZ-LBPRGKRZSA-N 264.394 3.561 30 20 CHED CC(C)(C#N)CCCCN(CCC#N)Cc1ccccn1 277873769 YTWUPAVAQVYUEM-UHFFFAOYSA-N 284.407 3.517 30 20 CHED C[C@H](NCC1(CCO)CCCCC1)c1cccc(C#N)c1 271919938 ZWQKMGJRIUQDON-HNNXBMFYSA-N 286.419 3.542 30 20 CHED CCCN(Cc1ccc(F)cc1)C(=O)CC(C)(C)C#N 278388130 IOQDYIMDJSFULJ-UHFFFAOYSA-N 276.355 3.504 30 20 CHED CCc1cccc(NC(=O)NCC(C)(C)CC#N)c1CC 459511742 NAIHJGJANHZWFT-UHFFFAOYSA-N 287.407 3.873 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@@]2(CCSC2)C1 450900336 GKVDTWWOXUNRAF-OAHLLOKOSA-N 292.835 3.935 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](c2cccc(C)c2)C1 273345372 RHKACBLWAGBUMA-QGZVFWFLSA-N 269.388 3.505 30 20 CHED CCS[C@@H]1CCCCN(C(=O)C2(C#N)CCCCC2)C1 365237717 CQDPXDTTXSOTOG-CQSZACIVSA-N 294.464 3.595 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccccc1)C(C)C 276057137 ICQSJQPKGBEKIB-OAHLLOKOSA-N 260.381 3.601 30 20 CHED Cc1c([C@H](NC(=O)[C@@H](C)C#N)C(C)C)oc2ccccc12 467540140 OLTCDWNOLJZBRB-XHDPSFHLSA-N 284.359 3.714 30 20 CHED CC1(C)C[C@@H]1c1noc(/C=C/c2ccc(OCC#N)cc2)n1 273662016 FUKGQCKPWWDELS-LHRNQBEKSA-N 295.342 3.656 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCC(C)(C)C1 544621961 OKPNQKFQZAVMJD-CHWSQXEVSA-N 252.402 3.609 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl 468038222 PHNHTZGOKOFLAN-QWRGUYRKSA-N 282.771 3.939 30 20 CHED C[C@@H](NCCCC#N)c1ccccc1OC(F)(F)F 273300024 UNWPQWOPVUJSOJ-SNVBAGLBSA-N 272.270 3.540 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 276027409 DJHNEINGDKKVIQ-MRXNPFEDSA-N 290.363 3.624 30 20 CHED Cc1ccccc1C1CCN(c2nccc(C)c2C#N)CC1 541624133 MLYZLLIYJJJFNL-UHFFFAOYSA-N 291.398 3.954 30 20 CHED COc1nc(C)cc(Oc2ccc(C#N)c3ccccc23)n1 549293524 NEJNYLDAWZSWOM-UHFFFAOYSA-N 291.310 3.611 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccc(F)cc1F)C(C)C 467999821 HAFJVQMWLIQEBZ-ABAIWWIYSA-N 296.361 3.926 30 20 CHED C=CCN(C(=O)c1cccc2c1CCC2)C(C)(C)C 622943488 DTCQDVZOBAYBCP-UHFFFAOYSA-N 257.377 3.602 30 20 CHED CC[C@](C)(C#N)C(=O)NCC1(Cc2ccccc2)CCCC1 552426412 JJMZJDYEUINJSK-GOSISDBHSA-N 298.430 3.846 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cccc(Nc2cnn(C)c2)c1 467759620 PJXAAAOYQVZCQH-ZDUSSCGKSA-N 298.390 3.705 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2c2ccccc2)C1 463307647 YDZAXKYIZLHUPT-UBDQQSCGSA-N 268.404 3.995 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@@H]1[C@@H](C)CC 466396730 AWUJHQNCWNXHJZ-SOUVJXGZSA-N 266.429 3.951 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)Cc1cccc(F)c1 466407753 XNCYTZHOQMPSPL-OAHLLOKOSA-N 278.371 3.712 30 20 CHED N#CCSCCCN1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 466731796 STTOGZDGXVAUIB-LUKYLMHMSA-N 292.492 3.924 30 20 CHED N#Cc1ccc(SCC(=O)C(F)F)cc1C(F)(F)F 282173133 OAFGWOLKGLNSQM-UHFFFAOYSA-N 295.232 3.503 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1(C)C 463481603 FNOLPQYBQJXZSE-CABCVRRESA-N 276.355 3.701 30 20 CHED CCc1ccc([C@H]2CCCN(C(=O)C3(C#N)CCC3)C2)cc1 286754853 OXKCYTLXVBFZJI-KRWDZBQOSA-N 296.414 3.649 30 20 CHED N#CCC[C@H](C#N)CNCC1(c2ccccc2)CCCCC1 554487870 XKIYOMTZNQVGCW-QGZVFWFLSA-N 295.430 3.922 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1nccn1-c1ccccc1 288197082 NWXQEQFDAHSHSX-KBXCAEBGSA-N 297.402 3.652 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)[C@@H](C)c1cccc(C#N)c1 463868699 XJULTCHKOODVGS-YOEHRIQHSA-N 284.403 3.699 30 20 CHED C=CCc1cc(CNC[C@@H]2CCC[C@@H]2C)cc(OC)c1O 466422795 AGKRZUGLZZMKOR-BBRMVZONSA-N 289.419 3.655 30 20 CHED CC[C@@H](N[C@@H]1COc2ccccc2C1)c1ccc(C#N)cc1 556064091 RZBZBVNZFSKJPF-ZWKOTPCHSA-N 292.382 3.603 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)NCC(C)(C)CCC#N 554450181 USQSVPROEZVZOX-CQSZACIVSA-N 281.444 3.830 30 20 CHED CCC1(CC)CCC(NC(=O)N(C)C[C@@H](C)C#N)CC1 473875396 IUGIDULDOCURBY-ZDUSSCGKSA-N 279.428 3.536 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 294712317 ULTINHKEFFKAFW-CABCVRRESA-N 257.377 3.651 30 20 CHED C#Cc1ccc(CN2CCC=C(c3ccco3)C2)cc1 809688183 DHRJISVRPIHFJK-UHFFFAOYSA-N 263.340 3.550 30 20 CHED C=CCCCCCCNc1ccnc2c1cnn2C 804850877 DLGBKJFFZKOYPP-UHFFFAOYSA-N 258.369 3.517 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C)c1ccc(F)cc1F)C(C)(C)C 807883256 JTGGLVZJAGFYLJ-XHDPSFHLSA-N 293.357 3.623 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(C2CCOCC2)s1 296259692 XGIJVNUZFDPDAQ-HNNXBMFYSA-N 294.420 3.578 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)CCCC#N)CCC2 291863151 HLZGZWPWZKRGOY-QGZVFWFLSA-N 284.403 3.997 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C)c1cc(C)ccn1 290509719 WYKLVGILQPPPRC-CYBMUJFWSA-N 281.359 3.834 30 20 CHED C=CCCCCCCCCNC(=O)C1(C#N)CC(C)C1 807842945 BQVWFBVDAYFWFH-UHFFFAOYSA-N 276.424 3.959 30 20 CHED C=CCCCCCCNC(=O)c1ccccc1COC 805218215 UYSVDYOMILZCGA-UHFFFAOYSA-N 275.392 3.699 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 292859446 ZYCNUZYUZMDOSR-SAABIXHNSA-N 280.346 3.733 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C)c(Cl)cc1C 476051084 AFLYAXKMGNMVBB-LLVKDONJSA-N 251.757 3.651 30 20 CHED CSc1ccccc1NC(=O)[C@]1(C#N)CC12CCCC2 298008424 ZTLCMGCLQRBGPX-MRXNPFEDSA-N 286.400 3.821 30 20 CHED CCOc1ccc([C@H](C)N[C@H](C)CCC#N)cc1OCC 299722593 STASBAHQVJAYTA-KGLIPLIRSA-N 290.407 3.827 30 20 CHED N#Cc1cccc(CN2CCC(CC(F)(F)F)CC2)c1 560172949 YEQHJXYCOBJEOJ-UHFFFAOYSA-N 282.309 3.723 30 20 CHED C#C[C@@H](C)NCc1csc(-c2ccc(Cl)cc2)n1 809684017 WVMZURLOYHUFAH-SNVBAGLBSA-N 276.792 3.575 30 20 CHED C=CCOCCCOc1cc(C)nc2ccc(OC)cc12 475996638 RPYRRQVNJJYCPE-UHFFFAOYSA-N 287.359 3.523 30 20 CHED N#Cc1ccc(NN=C2CCC[C@@H]2CCCF)cc1 800810359 MIVIPZWXVBOQAQ-CYBMUJFWSA-N 259.328 3.876 30 20 CHED Cc1nc(C)c(CNCc2ccc(C#N)c(Cl)c2)s1 800896092 XNRLPQBIFDUDNP-UHFFFAOYSA-N 291.807 3.575 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC 481186436 GBRWFJNZSVAKDV-ZBFHGGJFSA-N 272.392 3.625 30 20 CHED CCN(Cc1ccc(Cl)cc1C#N)CC(C)C 480509526 BVJLWEYNFORRSI-UHFFFAOYSA-N 250.773 3.690 30 20 CHED C=CCOCCCC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 568922273 HSXSQZNMUOVROO-GJZGRUSLSA-N 281.440 3.642 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)Oc1ccccc1C 488876697 JFDTZEJZBXJQAU-JKSUJKDBSA-N 287.403 3.720 30 20 CHED Cn1cc(/C=C\C(=O)c2cccc(F)c2F)c(C(F)F)n1 812244030 YEWBCIYXMVARRN-WAYWQWQTSA-N 298.239 3.532 30 20 CHED Cc1cc(CN[C@H](C)[C@H]2COc3ccccc32)ccc1C#N 488283677 UBVVIVFJBVCMHE-RDTXWAMCSA-N 292.382 3.521 30 20 CHED COc1ccc(/C=C\c2nc3ccccc3n2CC#N)cc1 486005640 VUGGZVSDNLMKTN-FLIBITNWSA-N 289.338 3.739 30 20 CHED Cc1ccc2oc(Oc3ccc(C#N)cc3F)nc2c1 486927634 SLDXKJMZPXOZST-UHFFFAOYSA-N 268.247 3.939 30 20 CHED CC#CCN(C)C(=O)c1cc2c(Cl)cccc2s1 647541551 HCPHZHXTUMVMHI-UHFFFAOYSA-N 277.776 3.650 30 20 CHED O=C1Nc2ccccc2C12CCC(=NOCCC1CC1)CC2 814246747 XHPKCKFHDSMUFX-UHFFFAOYSA-N 298.386 3.623 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 814124600 DMLDWGBUCAGTPM-CYBMUJFWSA-N 274.408 3.532 30 20 CHED C=C(C)CN[C@@H](C)[C@@H](OC)c1ccccc1Cl 481376600 JRWOADGNMZZNDY-SMDDNHRTSA-N 253.773 3.582 30 20 CHED C=C[C@H]1CCCCN1C(=O)C1(Cc2ccc(F)cc2)CC1 488838921 MUIZWSNNVFFGDL-INIZCTEOSA-N 287.378 3.716 30 20 CHED CC(C)(C)OC(=O)N[C@H](C=NOC1CCC1)CC1CCC1 814936441 RSWIMYBGHRURPQ-ZDUSSCGKSA-N 296.411 3.625 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 489076237 PQHYNUGOMZAIOV-FVQBIDKESA-N 298.430 3.984 30 20 CHED CC(C)OCCON=C1CCC(c2ccc(O)cc2)CC1 814937194 XOSQMLAPVHTPHC-UHFFFAOYSA-N 291.391 3.847 30 20 CHED CCCCCCCCNCc1ccc2c(c1)oc(=O)n2C 816530848 XPQUPGQZUBZIML-UHFFFAOYSA-N 290.407 3.582 30 20 CHED CC(C)CN(Cc1ccc(Cl)cc1C#N)C1CC1 480493452 KHPNRJXPBJKQHK-UHFFFAOYSA-N 262.784 3.832 30 20 CHED C[C@H](C=NOCC1CC1)c1cccc(Br)c1 814243622 GRGGGRLXWMHOBZ-SNVBAGLBSA-N 282.181 3.965 30 20 CHED Cc1ccc(CCC(=O)N(CCC#N)CC(C)C)c(C)c1 813278507 JLZKALMAHXJAEL-UHFFFAOYSA-N 286.419 3.634 30 20 CHED C=CCCCC(=O)N1CCCc2c(F)ccc(C)c21 481453293 VKARARXSTZTZIB-UHFFFAOYSA-N 261.340 3.770 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 488937709 PUDVITMSOCWWTJ-HNNXBMFYSA-N 298.386 3.778 30 20 CHED Cc1cc(OC(=O)CCCC#N)cc(C)c1Cl 812914254 KZKNJGXVJVECKC-UHFFFAOYSA-N 251.713 3.556 30 20 CHED Cc1nc(C)c2c(C)c(C=NOC/C=C/Cl)sc2n1 811671195 BZBFZPQTDBAHSY-WUXXWONPSA-N 295.795 3.720 30 20 CHED C=Cc1ccc(CCNc2nc(Cl)c(C#N)s2)cc1 812478750 VXKFXNOARODWNL-UHFFFAOYSA-N 289.791 3.966 30 20 CHED C#CCON=C1CCCc2nc(-c3ccccc3)sc21 812233075 MFQHOVZQQBPWRL-UHFFFAOYSA-N 282.368 3.500 30 20 CHED CC(CCc1ccc(O)cc1)=NNCCCc1ccccc1 729146363 UCOARDTYDSYCFK-UHFFFAOYSA-N 296.414 3.923 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cscn1 728468486 KVGRUGUWYCYLPV-LBPRGKRZSA-N 268.426 3.870 30 20 CHED CCCCCCCCCC(=O)NCc1snnc1C 814161740 WUHIKOZPDFZENI-UHFFFAOYSA-N 283.441 3.603 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 480618909 FCUYBYHCZIXVJZ-CHWSQXEVSA-N 264.413 3.647 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc([N+](=O)[O-])cc1 489083654 YIVWBHMTHIYWGC-CYBMUJFWSA-N 295.342 3.659 30 20 CHED CC1(C#N)CCC(Nc2ccc3c(c2)CCO3)CC1 823893153 UINIPDMOLZHDGI-UHFFFAOYSA-N 256.349 3.506 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C(=O)C#Cc1cccs1 825872905 DNBDTCKGHVLIJB-SFHVURJKSA-N 297.423 3.955 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccsc1 577213732 XQDRBYJDXOKXFG-LBPRGKRZSA-N 299.399 3.627 30 20 CHED C=CCN(CCc1nc(-c2ccccc2)no1)C(C)(C)C 661756411 NPWMHHSOZUZPFS-UHFFFAOYSA-N 285.391 3.566 30 20 CHED COc1ccc(C=NNC2CCCC2)cc1OCC(C)C 727652535 QWWDOOBOILYSTC-UHFFFAOYSA-N 290.407 3.596 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc3c(c2)CC(C)(C)O3)c1 588476549 LAUCKEVJSYVKNE-XQRVVYSFSA-N 293.366 4.000 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCCOc1ccccc1)CC2 589337179 QCTWMZMSESDAFU-LJQANCHMSA-N 292.382 3.604 30 20 CHED Cc1cccc2c(C(=O)O[C@@H]3CCC[C@@H](C#N)C3)coc12 821376193 RVHBBKQFBMETKN-CHWSQXEVSA-N 283.327 3.980 30 20 CHED C[C@@H](OC(=O)c1scnc1Cl)c1cccc(C#N)c1 727635789 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C=CCCCCNC(=O)Nc1cnc(Cl)c(C)c1 771175237 NQYFBKHCGSJTIL-UHFFFAOYSA-N 267.760 3.521 30 20 CHED C=CCCCOC(=O)CCc1ccc2[nH]ccc2c1 775959606 BCOWEPRVJMLHQP-UHFFFAOYSA-N 257.333 3.610 30 20 CHED Oc1ccc(C=Nc2ccc(C3CCC3)cc2)c(O)c1O 775234434 RMBXSWLKSLYREE-UHFFFAOYSA-N 283.327 3.822 30 20 CHED C#CCCCCCCN[C@@H](CC=C)c1ccncc1 877046431 NFAYWKRBONZTOL-KRWDZBQOSA-N 256.393 3.872 30 20 CHED C=Cc1cc(OC)c(OCc2cccc(C#N)c2)c(OC)c1 770692446 LKKDYEZUWYIMLF-UHFFFAOYSA-N 295.338 3.797 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H](C)c1ccc(F)cc1 878414823 UDABILXOJKLJIM-GFCCVEGCSA-N 263.356 3.648 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C)c2cnccc2C)cc1 771390928 YWTXSBGYLFOTPT-JKSUJKDBSA-N 294.398 3.814 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)[C@@H]1CCCOC1 779751070 BBJZLMGZABDIMX-LLVKDONJSA-N 286.297 3.920 30 20 CHED CC(C)(C)c1ccc(CCC(=O)OCC2(C#N)CC2)cc1 775831231 TUERMXSNFCCLFO-UHFFFAOYSA-N 285.387 3.764 30 20 CHED CC(C)(C#N)CCOC(=O)CCC1CCCCC1 776357616 VGXQYFUAPBUHSY-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CC(C)Oc1ccc(NCCOc2ccccc2)cc1C#N 771882014 WBVAZNDJJQYTNA-UHFFFAOYSA-N 296.370 3.836 30 20 CHED CCC(=NN[C@H](Cc1ccccc1)C(C)C)[C@@H]1CCOC1 777448769 QKOBYPLOCRTHCJ-SJLPKXTDSA-N 288.435 3.646 30 20 CHED CCOCCON=C(C)c1ccc(C(C)(C)C)cc1 774435337 OZDKCOKQRRDXEY-UHFFFAOYSA-N 263.381 3.761 30 20 CHED C#Cc1ccc(C(=O)N(CC(C)(C)C)CC(C)(C)C)cn1 775201270 CYLZSUGDYXBIEU-UHFFFAOYSA-N 286.419 3.597 30 20 CHED C#CCCCCC(=O)Nc1ccn([C@H](C)c2ccccc2)n1 773455535 YOXHCQQHNNFGCG-OAHLLOKOSA-N 295.386 3.625 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(OC)c1OC 889480445 LYHMUFUTUZSRPP-UHFFFAOYSA-N 292.379 3.570 30 20 CHED COC[C@@H](C)NN=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1 788438724 MMUPZGAZHOCUPM-DVVUODLYSA-N 286.828 3.505 30 20 CHED C#CCCCCCC(=O)OCc1ncc(C(C)C)s1 783477872 QVOGUJQVLAVCDD-UHFFFAOYSA-N 279.405 3.893 30 20 CHED Cn1c(NN=C2CCC23CCCC3)nc2ccccc21 788712754 ZFYBSHHVZFWRKD-UHFFFAOYSA-N 268.364 3.695 30 20 CHED C=CCCOCCCCC(=O)Oc1ccc(C)c(F)c1 789651544 FCSKBSQZTADHSE-UHFFFAOYSA-N 280.339 3.803 30 20 CHED CC(C)C1CCC(=NN[C@H]2CCOC(C)(C)C2)CC1 780241774 VTQKJHMOWYEGFD-WUJWULDRSA-N 266.429 3.736 30 20 CHED COc1cccc(C(=O)/C=C/c2cn3cc(C)ccc3n2)c1 789126200 CWWLHTNDDQGGHU-BQYQJAHWSA-N 292.338 3.547 30 20 CHED CC(C)(C)CCCOC(=O)Cc1ccc(OCC#N)cc1 781178199 JECNTVPKUIDWJP-UHFFFAOYSA-N 289.375 3.501 30 20 CHED C#CCC1(C(=O)N[C@H]2CC23CCCCC3)CCCCC1 788236838 AOALNNJIERCGPS-HNNXBMFYSA-N 273.420 3.799 30 20 CHED CC1(C)C(=NO[C@H]2CCCCO2)C[C@H]1Oc1ccccc1 789033478 IPFBIWWDQBNZTO-CVEARBPZSA-N 289.375 3.763 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cnc(-c2ccccc2)[nH]1 783730520 SRPAOEKQYFIDEV-UHFFFAOYSA-N 297.358 3.563 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](C)c1ccc2ccccc2c1 791197036 BTFOPDDJZLNOQQ-KBXCAEBGSA-N 279.383 3.861 30 20 CHED C=C1CC(c2noc(CCc3cn(C)c4ccccc34)n2)C1 896883124 NPZQSMFIKVAUGM-UHFFFAOYSA-N 293.370 3.780 30 20 CHED CCc1cccc2c1OCCC2=NNc1ncccc1C 794940636 XSIKVMXBPMLURT-UHFFFAOYSA-N 281.359 3.551 30 20 CHED Cc1coc(C)c1C(=O)O[C@H](C)c1cccc(C#N)c1 792765986 RZTLSINPEWQGSL-LLVKDONJSA-N 269.300 3.686 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(C)c2)ccc1C#N 799495783 VUQWAVXSYVECBR-VQHVLOKHSA-N 277.323 3.771 30 20 CHED CCCCCCCCNC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 792149057 PYVMNBUOYCNSHX-ZBFHGGJFSA-N 296.455 3.556 30 20 CHED CC(=NNc1cncnc1)c1ccc(C(C)(C)C)cc1 794976700 QYHQLQFKMNANLF-UHFFFAOYSA-N 268.364 3.610 30 20 CHED CCc1ccc(C(C)=NNCCC(F)(F)F)s1 794552502 KVMTYEYMMLKEOS-UHFFFAOYSA-N 264.316 3.577 30 20 CHED C[C@@H](NN=C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C 793113883 COIAIPXAVKJTCY-CXTBLFGSSA-N 275.352 3.618 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccnc(F)c2)cc1C 794721276 XQTCSSXWQMORTI-AATRIKPKSA-N 255.292 3.734 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1C#N 799495263 MDQQAIPDJFXWGC-UXBLZVDNSA-N 277.323 3.771 30 20 CHED CCCCCCCCC(=O)OCc1ccnc(C)n1 795448232 NESXEYHOZFQSNY-UHFFFAOYSA-N 264.369 3.579 30 20 CHED CC[C@H](C)CN1CCC(c2ccc(C#N)cc2)CC1 1201517488 UMNOABOBMTYIMK-AWEZNQCLSA-N 256.393 3.784 30 20 CHED CCc1ccccc1NN=Cc1c(F)ccc(O)c1F 794494258 RUYVEYKHQCZPSN-UHFFFAOYSA-N 276.286 3.679 30 20 CHED C#C[C@H](NC(=O)C[C@H](CC)c1ccc(C)cc1)C(C)C 799044622 IRIPCMZCFGMIFA-RDJZCZTQSA-N 271.404 3.653 30 20 CHED C(=Nn1cnc2ccccc21)c1ccc(OCC2CC2)cc1 790153683 KIXMGLXYNCVIKH-UHFFFAOYSA-N 291.354 3.707 30 20 CHED O=C(/C=C\c1cscc1Br)c1ccncc1 794691409 PYDWWRCRFITIAU-UPHRSURJSA-N 294.173 3.802 30 20 CHED CC(C)C[C@H](C)COC(=O)c1c(F)cc(C#N)cc1F 798634504 UXZVEMCKOUDOSN-JTQLQIEISA-N 281.302 3.675 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CC(C(F)F)C1 797403877 BCPBHSASLVZONF-UHFFFAOYSA-N 288.729 3.696 30 20 CHED COc1cccc([C@H](C)Sc2cc(C#N)nc(C)n2)c1 1306996650 WDLDCHPAZDRNRJ-JTQLQIEISA-N 285.372 3.519 30 20 CHED C=CC[C@H](CC)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 393776006 FUHCGQTYIYTAEL-RYQLBKOJSA-N 272.436 3.594 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Br)cc1 393816592 JEFIWGSRSVTIOJ-GFCCVEGCSA-N 282.181 3.534 30 20 CHED CC(C)(C#N)CNc1cc(-c2cccc(Cl)c2)ncn1 1307096244 WCRHLRCXFVQPAR-UHFFFAOYSA-N 286.766 3.759 30 20 CHED N#Cc1ccnc(CSc2ncc(-c3ccccc3)[nH]2)c1 1165503929 KAHURXQAVROTEV-UHFFFAOYSA-N 292.367 3.636 30 20 CHED N#Cc1ccccc1CSc1nc2ncccc2s1 1166650684 HMBRGFZPFUYIEQ-UHFFFAOYSA-N 283.381 3.855 30 20 CHED O=C(CC#Cc1ccccc1)N(Cc1ccccc1)C1CC1 1319640276 IBEGPVSCVDUKGI-UHFFFAOYSA-N 289.378 3.619 30 20 CHED CN(Cc1cc(C#N)ccc1F)Cc1ccccc1Cl 42316456 IPIGHUSUEBUWCJ-UHFFFAOYSA-N 288.753 3.983 30 20 CHED Cc1ccc(CCC=NNc2ccc(C(C)(C)C)nn2)cn1 1320392878 BOBGTFZHIKBFGY-UHFFFAOYSA-N 297.406 3.508 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)cs1 1327931347 UWGDMLDODIKSML-OAHLLOKOSA-N 282.368 3.597 30 20 CHED C[C@@H](NC(=O)c1csc(C#N)c1)[C@H](C)c1ccccc1 1327980781 MLOAUILJOYQTFN-NWDGAFQWSA-N 284.384 3.542 30 20 CHED C[C@H](CCC#N)Sc1ncccc1Br 188317149 IXIBUBIVKUDYQG-MRVPVSSYSA-N 271.183 3.628 30 20 CHED CC(C)(C)c1ccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)nn1 1320221989 TYCUMXXUJBBGDS-AVGNSLFASA-N 272.396 3.608 30 20 CHED Cc1noc(C)c1[C@@H](C)Nc1c(F)cc(C#N)cc1F 83574490 XLRAOHZFRBKAMP-SSDOTTSWSA-N 277.274 3.614 30 20 CHED C=CC1CCN(C(=S)Nc2cccc(F)c2F)CC1 1324368400 SDWPHRLAZVITRS-UHFFFAOYSA-N 282.359 3.560 30 20 CHED CN(C(=O)c1cccc(F)c1Cl)c1cccc(C#N)c1 79754873 KOWBWFITBUGJEH-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=C(CNC1CCC(OCC)CC1)c1ccccc1 657857402 UJSBUTLNCKICGG-UHFFFAOYSA-N 259.393 3.637 30 20 CHED CC(C)[C@@H](C(=O)N(C)[C@@H](C)CC#N)c1cccc(Cl)c1 1339160338 GFCALKUQDYKGBH-SWLSCSKDSA-N 292.810 3.840 30 20 CHED CO[C@@H](CNc1nc(Cl)c(C#N)s1)C1CCCCC1 695159366 FKFVVLYYHJNBRA-JTQLQIEISA-N 299.827 3.675 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(F)c(C(C)=O)c1 1336844606 GKWFAMFOJGJPHY-UHFFFAOYSA-N 263.312 3.569 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccccc1Cl 151960742 XIIVMAUJHRJPIF-JTQLQIEISA-N 269.797 3.976 30 20 CHED C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1 94423273 BCYKONGKMRGDTL-DOMZBBRYSA-N 272.392 3.555 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)s2)cc1[N+](=O)[O-] 94591998 ZPEPHPXWMOZHJS-UHFFFAOYSA-N 293.735 3.793 30 20 CHED C=CCCCCNC(=O)c1oc(C2CC2)nc1C(F)F 1338847153 MTKYCCINOSZSNN-UHFFFAOYSA-N 284.306 3.576 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(SC(F)F)cc1 1262813224 SDUPJMURNNTNKJ-LLVKDONJSA-N 298.358 3.766 30 20 CHED C=CCC1(C(=O)NCc2cccc(C(F)F)c2)CCC1 1343561736 UWKMDOOPAMEXKJ-UHFFFAOYSA-N 279.330 3.987 30 20 CHED N#CC[C@H](OC(=O)c1cccc2c1CCC2)c1ccco1 1263660969 VUEMYXXRUZDZIQ-INIZCTEOSA-N 281.311 3.580 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(C2CC2)ccn1 1346500934 RBRPWZTXTYDZCS-HNNXBMFYSA-N 285.391 3.922 30 20 CHED Cc1coc(C(=O)Nc2sc3c(c2C#N)CCC3)c1C 1261128654 YQHYWEMBKRFSSJ-UHFFFAOYSA-N 286.356 3.571 30 20 CHED CC(C)Cc1ccc(C(=O)[C@H](C#N)c2cccc(F)n2)cc1 1342562600 QHVBAKXIKZCYET-OAHLLOKOSA-N 296.345 3.909 30 20 CHED CC(C)[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1264269413 IQDKKCUJMMLQAY-QGZVFWFLSA-N 296.345 3.824 30 20 CHED Cc1sc(NC(=O)c2ccc(CF)cc2)c(C#N)c1C 1264023594 YTDVOJYXNIUWMQ-UHFFFAOYSA-N 288.347 3.958 30 20 CHED Cc1ccc(OC(=O)C2(c3cccc(C#N)c3)CC2)cc1C 1342028547 WYEFUHBCSGWYPE-UHFFFAOYSA-N 291.350 3.812 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(OC)cc1 1346238365 MXKPHFHSJONYOC-CQSZACIVSA-N 274.364 3.658 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2ccc(Cl)cc2C1 1349675873 HEXHQYNEVWKOEQ-UHFFFAOYSA-N 277.795 3.827 30 20 CHED Cc1coc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1C 1345474346 LTDHJHCIXIVSOS-UHFFFAOYSA-N 295.342 3.595 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 1274125288 YCFNTQPMLMAZRA-OWCLPIDISA-N 297.402 3.807 30 20 CHED N#Cc1sccc1C(=O)OCc1sccc1Cl 1436067231 AADCHLNXUVAGOC-UHFFFAOYSA-N 283.761 3.692 30 20 CHED C=C(Cn1c(C)nnc1N1CC[C@@H](C)[C@@H]1C)c1ccccc1 1507856166 XHLKOYIVSQJEPZ-HIFRSBDPSA-N 296.418 3.535 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(Cl)ncc1Cl 1514859604 SYAGRVXCPUTISR-SNVBAGLBSA-N 299.201 3.959 30 20 CHED CCc1c(Nc2cc(C)c(C#N)cn2)cnn1CCC(C)C 1458313859 IHEPYLWSORSTCD-UHFFFAOYSA-N 297.406 3.810 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]2C[C@@]21C(=O)O 1605267493 XLQHAPZWQMMROG-PBHICJAKSA-N 295.423 3.593 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(SC)o1 1461566392 ZYYLPLZYMQJHBN-UHFFFAOYSA-N 288.372 3.884 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc3cc(C)ccc3[nH]2)c1 1468964597 OAOZGFZRJKLFEY-UHFFFAOYSA-N 289.338 3.909 30 20 CHED CC(C)C(CNC(=O)Nc1ccc(F)c(C#N)c1)C(C)C 1476096997 KZSGCTFITVNRHP-UHFFFAOYSA-N 291.370 3.747 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ncccc1C#N 1472883741 FVRYSIXQQYQWLV-YOEHRIQHSA-N 277.371 3.726 30 20 CHED COc1cccc(COc2nc(C(C)(C)C)ccc2C#N)c1 1559428383 FQBBUVGPQDDFLD-UHFFFAOYSA-N 296.370 3.838 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1 1564122643 CHVZAJYNXRBYKB-SJORKVTESA-N 299.418 3.574 30 20 CHED Cc1cc(=Nc2cccc(OC3CCCC3)c2)c(C#N)c[nH]1 1639249795 YNSRDKAZTDZKFH-UHFFFAOYSA-N 293.370 3.749 30 20 CHED CCC(CC)CN(CCC#N)C[C@@]1(C)CCCS1 1658348381 RWWCNHAAIHFFFW-OAHLLOKOSA-N 268.470 3.924 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cc(C)c(C(=O)O)o1 1588745222 VWTYOERHPZPVSN-OAHLLOKOSA-N 299.370 3.563 30 20 CHED Cc1ccsc1/C=C\C(=O)c1cccc(C(=O)O)c1 1777477406 NJRJYVJORNOJED-WAYWQWQTSA-N 272.325 3.651 30 20 CHED C=C1C[C@@H](C(=O)O)N(Cc2ccc(-c3ccccc3)cc2)C1 1776146478 ZTTIOOZPQQIZBW-SFHVURJKSA-N 293.366 3.569 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(/C=C\C(=O)O)cc1 1777465319 PAAPOGMJJPPKDE-MIMPSMLTSA-N 292.334 3.989 30 20 CHED COc1cc(C(=O)O)ccc1C=NO[C@H](C)c1ccccc1 1776083113 NDKXKKZLKHBLRG-GFCCVEGCSA-N 299.326 3.505 30 20 CHED Cc1cc(Cl)ccc1NN=Cc1csc(C(=O)O)c1 1776104660 STUMJPKTLDECPJ-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=CCN(C)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 161539998 NATPFOXDBMBPFZ-IRXDYDNUSA-N 265.356 3.588 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@H]1C)c1ccccc1 160571862 JBNPSOUACJQIJG-ZBFHGGJFSA-N 272.392 3.888 30 20 CHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F 274560248 YJYQBQISNVVWAL-NVBFEUDRSA-N 264.319 3.698 30 20 CHED CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2(C#N)CCCC2)cc1 151666247 KTLCZJFOAKQKHT-IAGOWNOFSA-N 296.414 3.866 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1cc(F)ccc1F 151996174 KIRQFYYZGNRFIR-SECBINFHSA-N 271.332 3.601 30 20 CHED CCn1nccc1/C=C/C(=O)c1cc2ccccc2o1 152596839 OROGEPHSQCJDLC-BQYQJAHWSA-N 266.300 3.545 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@]1(C)CCCS1 153096429 AACKTTWIJWQJIL-OAHLLOKOSA-N 284.469 3.660 30 20 CHED C#CCCCCNC(=O)c1ccc(SC(F)F)cc1 156229947 OAKPFPGRTHYKRC-UHFFFAOYSA-N 283.343 3.535 30 20 CHED Cc1cccc2c(CC(=O)O[C@H](C#N)C(C)(C)C)c[nH]c12 154437166 SYXVIFAHHRGJKA-CQSZACIVSA-N 284.359 3.500 30 20 CHED N#Cc1cccc(CNc2ccc3ncsc3c2)c1 226568944 WYGWQJYPWJSKFM-UHFFFAOYSA-N 265.341 3.780 30 20 CHED N#Cc1cccc(OC[C@@H]2CCC3(CCCCC3)O2)c1 228018931 PIDKKFXHLKESRS-INIZCTEOSA-N 271.360 3.819 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCc1ccco1 49147059 ARHZUIPYCUQXJA-UHFFFAOYSA-N 280.249 3.825 30 20 CHED CCC[C@@H](CC)N[C@@H](C)c1ccc(OCC#N)cc1 50401805 ASQRWLJLPTYOKW-DZGCQCFKSA-N 260.381 3.818 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@H]2CCCC[C@H]2C1 300406353 VUOBSAAUIRLSLS-HIFRSBDPSA-N 272.367 3.709 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1ccc(C#N)cc1 308090676 QQEVNCGPTWCNCJ-AWEZNQCLSA-N 258.365 3.959 30 20 CHED Cc1cc(N(C)Cc2cccc(Cl)c2)cc(C#N)n1 308272657 QTFJRVNYAPLIKP-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C=CCNc1nnc(SCCCCCC)s1 309719156 VFYKGDMNFPLYHZ-UHFFFAOYSA-N 257.428 3.808 30 20 CHED C#CCOc1ccccc1CNc1cnc(Cl)cc1C 312489053 YAXMXMXXOBROQZ-UHFFFAOYSA-N 286.762 3.668 30 20 CHED C[C@@H]1[C@@H](NCCc2cccc(C#N)c2)CCC[C@H]1C 467434145 UEXINWDDMNPOPK-KEYYUXOJSA-N 256.393 3.515 30 20 CHED Cc1nc(NCc2ccc(F)cc2)c(Cl)cc1C#N 336818396 VJOUKPUYBWZVEG-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)CCC 684247999 ATYKQOISOLXBLY-OAHLLOKOSA-N 274.408 3.963 30 20 CHED Cc1cc(N2CCC(C3CCCC3)CC2)cc(C#N)n1 587987432 RUZGZZWTTVXWLB-UHFFFAOYSA-N 269.392 3.668 30 20 CHED CCc1ccc(NC(=O)c2cccc(C#N)c2)cc1C 380315313 XKMPCVONPXSJAP-UHFFFAOYSA-N 264.328 3.681 30 20 CHED N#Cc1cc(F)c(N2CCC=C(F)C2)cc1Br 384318721 YDYHLQIJCHQOHP-UHFFFAOYSA-N 299.118 3.523 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C 399061503 CTBBNAPRLSDFGV-VIFPVBQESA-N 264.756 3.832 30 20 CHED Fc1ccc(C=NNCc2ccccc2)c(Cl)c1 767759834 VHRMGKVAMBUTFL-UHFFFAOYSA-N 262.715 3.603 30 20 CHED CS[C@@H]1CCCC[C@H]1NCc1ccc(C#N)c(C)c1 593654227 KOVGCBXJZUBASS-HZPDHXFCSA-N 274.433 3.631 30 20 CHED COc1ccc(OC)c(C(=O)/C=C/c2ccsc2)c1 5129430 SGWWZWKSFUIWFD-HWKANZROSA-N 274.341 3.661 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C/c1ccccc1)C2 6004500 OFGKZKHSXFVVBV-RIYZIHGNSA-N 280.323 3.526 30 20 CHED CCc1ccc(Cl)c(CC)c1NC(=O)CSCC#N 33151969 VGBZCZFXBSIPBC-UHFFFAOYSA-N 296.823 3.660 30 20 CHED Cc1cccc(OC(=O)c2cccc(CC#N)c2)c1C 42219769 XLBSKFASHBVCMB-UHFFFAOYSA-N 265.312 3.589 30 20 CHED CCN(CC#N)Cc1ccc(OCc2ccccc2)cc1 42597257 LXCKRDCCORMKNV-UHFFFAOYSA-N 280.371 3.611 30 20 CHED C[C@H](NC(=O)Nc1cccc(C#N)c1)c1cccs1 48473450 YVXGDZBTVUFYIZ-JTQLQIEISA-N 271.345 3.502 30 20 CHED N#Cc1ccccc1COc1cc(Cl)ccc1[N+](=O)[O-] 49918382 QYZVIOHMZYHWID-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C=CCN(CC=C)C(=O)NCc1cccc2ccccc12 60565266 JJDDTKDQYWGGTA-UHFFFAOYSA-N 280.371 3.723 30 20 CHED CCC(CC)n1ccc(COc2ccccc2C#N)n1 69994613 YUFMJJOWQNEUEP-UHFFFAOYSA-N 269.348 3.695 30 20 CHED N#Cc1cccc(-c2nc3c(Cl)cccc3[nH]2)c1 70262905 CVUDWRDNQBOBBB-UHFFFAOYSA-N 253.692 3.755 30 20 CHED Cc1ccc(C)c(C(=O)[C@@H](C)Sc2cc(C#N)ccn2)c1 71918324 UHEBIMBBDORSMP-CYBMUJFWSA-N 296.395 3.934 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2c(C)nn(C)c2C)cc1C 72039202 SHZWPVBMZODONR-BQYQJAHWSA-N 282.387 3.858 30 20 CHED C[C@@](O)(CNc1cc(Cl)ccc1C#N)c1ccsc1 77236577 DGKSWCRCAZPSQC-CQSZACIVSA-N 292.791 3.593 30 20 CHED C=CCC[C@@H](N[C@@H]1CCOC2(CCCC2)C1)C1CC1 90527203 YOECRWVRNJUNKZ-HZPDHXFCSA-N 263.425 3.813 30 20 CHED CCN(C(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc(C#N)c(Cl)c1 91206469 KVUAILXQKTZRSS-ZIAGYGMSSA-N 288.778 3.611 30 20 CHED CS[C@@H]1CC[C@H](Nc2ccc3cc(C#N)ccc3n2)C1 92917576 FXZRTHRSILWDFA-UONOGXRCSA-N 283.400 3.802 30 20 CHED C=CCN(Cc1nccn1C(F)F)CC1CCCCC1 112202297 IOJYOMRZRMKKET-UHFFFAOYSA-N 283.366 3.847 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H](C#N)C2CCCCC2)n1 115187123 JBNPGVVMAJASGO-AWEZNQCLSA-N 286.404 3.530 30 20 CHED COc1ccc(/C=C/C(=O)c2ccco2)cc1OC(F)F 118954323 DNZCDZSQCQIAOO-GQCTYLIASA-N 294.253 3.786 30 20 CHED N#Cc1cc(NC(=O)C(C2CC2)C2CC2)ccc1Cl 119780389 LSMTXVOTIDPWKS-UHFFFAOYSA-N 274.751 3.586 30 20 CHED C=CCC[C@H](NC[C@@H](c1ccco1)N1CCCC1)C1CC1 119810734 XSDCFBHBYKKXBF-IRXDYDNUSA-N 288.435 3.751 30 20 CHED C=CC1CCN(C(=O)CC[C@@H](C)c2ccccc2)CC1 120510449 CVPJUONLOAIVTK-OAHLLOKOSA-N 271.404 3.995 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(F)c(C#N)c1 121613360 ZYUQDUVZXAHMRM-GFCCVEGCSA-N 280.412 3.661 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 122372010 JPDHUWMLGMGXMU-SWLSCSKDSA-N 288.391 3.532 30 20 CHED Cc1cc(C)nc(NCc2cccc(OCCCC#N)c2)c1 122375434 OWTHKNURKYVWNG-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C=C(C)COCCNCc1csc2ccccc12 125808350 GPFGLQDPBFJCQE-UHFFFAOYSA-N 261.390 3.584 30 20 CHED N#Cc1cc(N2CCC[C@@H]2C2CCCC2)ccc1[N+](=O)[O-] 127961502 YSUJORFDAJATCR-OAHLLOKOSA-N 285.347 3.625 30 20 CHED C[C@@H](C[C@H](O)c1cccs1)Nc1cccc(F)c1C#N 128881292 DZJIHDOTWKBBES-HZMBPMFUSA-N 290.363 3.683 30 20 CHED COc1ccc(C#N)cc1COc1ccc(Cl)cc1 129265152 WAPMFMGGAXFCEA-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CCc1ccc(CC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 133994344 NXOQKHRMZSEODE-AWEZNQCLSA-N 292.382 3.541 30 20 CHED CC[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 134989805 XCKSMMXYDQPBNN-JTQLQIEISA-N 268.282 3.813 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc(Cl)ccc1OC(C)C 151815183 GKSXPIHMQRWWQJ-HNNXBMFYSA-N 294.782 3.549 30 20 CHED CC(C)CCC1CCN(C(=O)c2cccc(C#N)c2)CC1 152690083 QIODCJUGLSMSHJ-UHFFFAOYSA-N 284.403 3.847 30 20 CHED CC(C)(C#N)CCCNc1ccc(-n2cccn2)c(F)c1 153432064 WLVBYDUUKOKMMR-UHFFFAOYSA-N 286.354 3.753 30 20 CHED N#CC1(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CCCCC1 155959976 IVRNKKGSPGTHTJ-LSDHHAIUSA-N 274.408 3.545 30 20 CHED Cc1cccc(NC(=O)N(CCC#N)Cc2ccco2)c1C 156041332 STFGCWMQZBMBOI-UHFFFAOYSA-N 297.358 3.844 30 20 CHED Cc1ccccc1[C@@H](C)NCCOc1ccc(C#N)cc1 156161065 QWQJURBQSVKCMW-OAHLLOKOSA-N 280.371 3.596 30 20 CHED C#CCCCCNC(=O)c1sc2ccc(F)cc2c1C 156258135 HSROGKIFPBWIFA-UHFFFAOYSA-N 289.375 3.882 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cnc(C)nc1C 161503822 FOOPLOFUIONPQT-ZDUSSCGKSA-N 297.402 3.509 30 20 CHED C=CCN(C)C(=O)c1csc(-c2ccccc2Cl)n1 161535301 OWKAEZASAMQHPM-UHFFFAOYSA-N 292.791 3.722 30 20 CHED Cc1ccc(CNc2ncccc2OCCCC#N)cc1 162270575 WQLFRZDKJCXRNS-UHFFFAOYSA-N 281.359 3.685 30 20 CHED CCCCOc1cccc(NC(=O)NCCCCC#N)c1 171379065 ONYHRGNMHNFFQK-UHFFFAOYSA-N 289.379 3.681 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)NC[C@@H](C)C#N)cc1 172351056 STOPUPSYPVYYFK-KBPBESRZSA-N 272.392 3.579 30 20 CHED Cc1ccc(C)c(NC(=O)CSc2ccccc2C#N)c1 172682299 XAIDBDTWCSZPGE-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CC(C)[C@H](C)S[C@@H](C)C(=O)Nc1cccc(C#N)c1 172967626 XBPLBCAYDCUXKB-RYUDHWBXSA-N 276.405 3.663 30 20 CHED CCc1nc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cs1 174078201 OVYLMTKEEQWOHY-NEPJUHHUSA-N 285.416 3.989 30 20 CHED C=CCCOc1cccc(NC(=O)c2cccs2)c1 174191126 FJEAWJPBMBUXDH-UHFFFAOYSA-N 273.357 3.955 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 174295328 OZIZUVDYNZXLQQ-WMLDXEAASA-N 285.387 3.656 30 20 CHED N#CC1(c2nc(CCCc3ccccc3)no2)CCCCC1 177726866 AOEQCROUPMFEAG-UHFFFAOYSA-N 295.386 3.970 30 20 CHED C=C(C)CSCC(=O)Nc1c(C)cccc1CC 177864389 QUFRDRKCWVHXEI-UHFFFAOYSA-N 263.406 3.805 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1cnn(C)c1C 179852036 MHTZZYUWBXZTQP-LTCRFSFDSA-N 266.344 3.571 30 20 CHED N#Cc1ccc(/C=C2/CCOc3cc(F)ccc3C2=O)s1 180459530 LJMBRBHEEDFTDQ-YFHOEESVSA-N 299.326 3.808 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H]2CCCC[C@H]2C1 181399684 JPZMCHUQIASPGV-SOUVJXGZSA-N 264.413 3.563 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 182112437 SEROPRIKGQPTSG-CYBMUJFWSA-N 280.327 3.538 30 20 CHED CC(C)[C@@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182123238 DZGDFDGEGPWJEC-STQMWFEESA-N 274.364 3.598 30 20 CHED C=C(C)CN(C)C(=O)NC1CCC(c2ccccc2)CC1 182318204 UTVBJBRYXYSLDU-UHFFFAOYSA-N 286.419 3.930 30 20 CHED Cc1ccc(C(=O)N(C)CC#N)c(Sc2ccccc2)c1 182511301 OTMJBZJHSBAJGZ-UHFFFAOYSA-N 296.395 3.742 30 20 CHED N#CCOc1cc(F)ccc1NCc1c(F)cccc1F 182528669 IFMCEJCJOXQGEV-UHFFFAOYSA-N 292.260 3.618 30 20 CHED C=CCC[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C1CC1 182820173 KXHJUJUTDZXDLJ-FZMZJTMJSA-N 286.375 3.563 30 20 CHED Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)nc1 184308064 CJIZLNRTZNPFRC-OAHLLOKOSA-N 294.358 3.557 30 20 CHED CC(C)Oc1ccccc1N[C@@H]1CCC[C@H](C#N)C1 185729494 ILXFDFMBDLNIAZ-UONOGXRCSA-N 258.365 3.968 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(c2ccsc2)CC1 186898998 VDVJZWFVOGAHPW-LBPRGKRZSA-N 278.421 3.602 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@](CC)(CO)C1 187114852 KKSOLUPPHFWLGX-QGZVFWFLSA-N 283.456 3.748 30 20 CHED C=C(C)[C@@H](NCCCOC(C)C)c1ccc(F)c(F)c1 187765996 LADDWPCOUPVGPN-MRXNPFEDSA-N 283.362 3.987 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(-c2ccccc2)nc1C 187944910 VBJJMWGOYFJEKZ-HNNXBMFYSA-N 294.354 3.906 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(OC)c2ccccc12 187993414 LDIZAFNIVWCGFP-GFCCVEGCSA-N 283.327 3.697 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CC1 190970503 HDBRMHGUZBCMKW-WMLDXEAASA-N 299.418 3.668 30 20 CHED CCCCCCCCCC(=O)NCc1ccnc(C)n1 193471080 ZVNPMJLPXWFNLA-UHFFFAOYSA-N 277.412 3.542 30 20 CHED C#CCCCCC(=O)N(CCC)c1cccc([N+](=O)[O-])c1 194137225 JTJAMXYDUWJITF-UHFFFAOYSA-N 288.347 3.531 30 20 CHED CCCCC1CCC(NC(=O)C2(C#N)CCCC2)CC1 195655907 COJUBVIFRBQLHO-UHFFFAOYSA-N 276.424 3.936 30 20 CHED C#CCCCN[C@@H](CC)c1cccc(Br)c1 224310031 OSJKSWCVYLTHFV-AWEZNQCLSA-N 280.209 3.903 30 20 CHED CS[C@H]1CCC[C@@H](Nc2cccc(F)c2C#N)C1 227360082 NFEZJHPLCFRXGM-MNOVXSKESA-N 264.369 3.783 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(C(F)(F)F)c1 229955672 AFBFAQQGKXPJER-LLVKDONJSA-N 284.281 3.629 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H]2[C@H]3CCC[C@H]32)c1 248343694 KPTPYIIKVGUXHM-ZSHCYNCHSA-N 271.360 3.626 30 20 CHED CCc1nnc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(C#N)c1CC 250143055 VYPJLRXRMQYJOR-ITGUQSILSA-N 286.423 3.710 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1cccc2[nH]ccc12 255216723 YAFCSECRYOSOSF-HJWRWDBZSA-N 287.322 3.691 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1cccc(C#N)c1)C1CC1 264226040 WWFOLXWFFWJRNW-STQMWFEESA-N 270.376 3.597 30 20 CHED C[C@H](C(=O)N(CC#N)C1CCCC1)c1cccc(Cl)c1 266017161 KOFSOOIQCVJFIO-LBPRGKRZSA-N 290.794 3.738 30 20 CHED C=CCn1c(SCC=C(C)C)nnc1-c1ccccn1 268874630 YOKDNNPTDOOYQC-UHFFFAOYSA-N 286.404 3.584 30 20 CHED CCc1noc(C)c1CNc1ccc(C#N)cc1Cl 268992049 VCFLXSQIJREPRY-UHFFFAOYSA-N 275.739 3.683 30 20 CHED C[C@H](N[C@H](C)C[C@@H](O)c1ccccc1)c1cccc(C#N)c1 271919133 ZMZJPCZZNFKVGJ-ZRGWGRIASA-N 294.398 3.721 30 20 CHED C=CCC[C@@H](C(=O)N(C)[C@@H]1CCSC1)c1ccccc1 275285113 FNZFZFJZWDIVKG-HZPDHXFCSA-N 289.444 3.700 30 20 CHED CC(C)(C#N)CCCCn1nc(-c2ccccc2)ccc1=O 277702376 MRNJTFWPGDFUGG-UHFFFAOYSA-N 295.386 3.630 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(-c2nccs2)cc1 278547162 NSXJBMJXVSPQPE-UHFFFAOYSA-N 285.372 3.688 30 20 CHED C=CC[C@H](C)NC(=O)c1c(-c2ccccc2C)noc1C 280194391 QFZFMAQMVCUPPI-LBPRGKRZSA-N 284.359 3.653 30 20 CHED CCc1cc(C#N)ccc1OCCCC1(C#N)CCOCC1 281557127 ARBSCMBQVDWOGZ-UHFFFAOYSA-N 298.386 3.600 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(N2CCCC2)c1 282161469 DJTBTPGMFXROLL-ZMSDIMECSA-N 283.419 3.630 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C/c2csnn2)c1 285303240 YIZWTPBUEYWTIW-VOTSOKGWSA-N 272.373 3.633 30 20 CHED CC(C)(C#N)Cc1nc(C(C)(C)Cc2ccccc2)no1 288990320 CODMHQZEXWKLAO-UHFFFAOYSA-N 283.375 3.682 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@]23CCOc2ccccc23)n1 289099278 KYSRHHIZOUYGRE-KSSFIOAISA-N 296.370 3.786 30 20 CHED C=C(C)CCc1noc([C@@H]2CCC(=O)[C@H](C)C2(C)C)n1 289103375 LIAOSFPONRAYOU-RYUDHWBXSA-N 276.380 3.687 30 20 CHED N#CCCCNC(=O)C1(Cc2cccs2)CCCCC1 290610508 DZQMDCUFZGHRKJ-UHFFFAOYSA-N 290.432 3.661 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@H](C)c1ccco1 292666541 DAYSVHSICTXGSB-GFCCVEGCSA-N 264.369 3.584 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1[C@H]1CC[C@@H](C#N)C1 293218236 VJWKYXVZNCIANR-JHNDHUHGSA-N 254.377 3.557 30 20 CHED CC[C@H](NCCC1(OC)CCC1)c1ccc(C#N)cc1 293619400 FRBDWTFNVXOCHJ-INIZCTEOSA-N 272.392 3.558 30 20 CHED C=CCCc1noc(C2(c3ccccc3C)CCOCC2)n1 297480641 ZGOUFWHRXUXAGS-UHFFFAOYSA-N 298.386 3.593 30 20 CHED Cc1nsc(NC(=O)CCCC2CCCC2)c1C#N 298651646 OIFKIOHFKYRJHZ-UHFFFAOYSA-N 277.393 3.622 30 20 CHED COc1ccccc1C[C@H](Nc1ncccc1C#N)C(C)C 301499908 WMQOKEJPZKAGKZ-INIZCTEOSA-N 295.386 3.641 30 20 CHED Cc1cccc([C@@H]2CCCN2c2cccc(C#N)n2)c1C 301846423 MVZIZFYASCAKKF-KRWDZBQOSA-N 277.371 3.912 30 20 CHED CC[C@H](C)[C@@H](C)Nc1ccc2cc(C#N)ccc2n1 301988771 WLPDFIHURCBPKW-NWDGAFQWSA-N 253.349 3.953 30 20 CHED Cc1ccc(Oc2cc(C#N)ccc2[N+](=O)[O-])cc1C 302206487 KMJVCQIAHKUTNR-UHFFFAOYSA-N 268.272 3.876 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1Nc1ncc(C#N)cc1Cl 302348944 ASSDFXAEWZQYPD-KBPBESRZSA-N 293.798 3.612 30 20 CHED C=C(C)[C@H](Nc1ncc(C)cn1)c1ccc(F)c(F)c1 302447070 SISQUKCVDXHAOO-AWEZNQCLSA-N 275.302 3.793 30 20 CHED C=CCCCCNC1CCN(CCc2ccccc2)CC1 313846189 RFMLRIDUECHYFC-UHFFFAOYSA-N 286.463 3.639 30 20 CHED N#Cc1cc2c(nc1N1CCC3(CCCCC3)CC1)CCC2 315764575 UGZVIMFLWCLTNY-UHFFFAOYSA-N 295.430 3.993 30 20 CHED CC[C@@H]1C[C@H](/C(O)=N/CC2(C3CC3)CCC2)CC(O)=N1 329765884 XLSSBMMQEWTHFP-WCQYABFASA-N 278.396 3.668 30 20 CHED Cc1noc([C@H](C)/N=C(/O)Nc2ccc(C(C)C)cc2)n1 330421098 FXNRLJUAYHTJJZ-JTQLQIEISA-N 288.351 3.589 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)c2scnc2C(C)(C)C)o1 330704523 JWVCEGNKEYFWFE-SECBINFHSA-N 293.392 3.803 30 20 CHED C[C@@H]1CC[C@H](C/N=C(/O)c2cc(C(C)(C)C)on2)C1 331087973 SOLVMBUBRDOOFL-MNOVXSKESA-N 264.369 3.713 30 20 CHED C[C@H]1CC[C@H](NC(O)=Nc2cccc(OC(F)F)c2)C1 331291630 PQHGXKNSSGKEMT-ONGXEEELSA-N 284.306 3.612 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1nccs1 334241014 WDELVCYISWSBBO-NHYWBVRUSA-N 283.400 3.743 30 20 CHED Cc1csc(NC(=O)[C@@H](C)c2cccs2)c1C#N 336559863 YCPVTYHBVGKDGK-VIFPVBQESA-N 276.386 3.732 30 20 CHED C[C@@]1(CN=c2[nH]ccc(C#N)c2Cl)C[C@H]1c1ccccc1 338741081 NFVWJRPMFBYJKO-YOEHRIQHSA-N 297.789 3.634 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(c2nccc(C#N)c2Cl)C1 342829317 DDKHWYVEIXNRFD-RISCZKNCSA-N 298.777 3.589 30 20 CHED CCO[C@H]1C[C@@H](N(C)Cc2ccc(CC#N)cc2)C12CCC2 343565312 HGYONZQPUIGLKI-MSOLQXFVSA-N 298.430 3.532 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)n(C2CC2)c1C 343762596 FQVXFBGYWVAZOT-CYBMUJFWSA-N 260.381 3.524 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1C(C)(C)C1(C)C 344941566 PBZQTMZCMKYMRH-UHFFFAOYSA-N 296.414 3.755 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@H](C)c2cccs2)no1 346601054 FJBGWUPLHALLSW-MRVPVSSYSA-N 285.328 3.723 30 20 CHED Cc1ccc2[nH]c(CNCCCCC#N)cc2c1C 349653297 HJIBAARKAPYNDY-UHFFFAOYSA-N 255.365 3.568 30 20 CHED C[C@]1(F)CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 356120491 DMMCEQQWBLWFIZ-ZDUSSCGKSA-N 286.272 3.511 30 20 CHED Cc1nnc(SC[C@H]2CCc3ccccc32)c(C#N)c1C 358274736 VFGNVBKNZCBCOA-CQSZACIVSA-N 295.411 3.787 30 20 CHED C=CCCCN(C)C(=O)Cc1coc2cc(F)ccc12 359149241 VXQLAPBWTLPMRL-UHFFFAOYSA-N 275.323 3.539 30 20 CHED CCCCC1CCC(CNC(=O)CCCC#N)CC1 360026779 YVJRZTIRCKVFGD-UHFFFAOYSA-N 264.413 3.793 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 362507538 AYIBCPUHYILNLC-NXHRZFHOSA-N 294.398 3.641 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](n2cccn2)C1 367881994 XBVMLBIJLFRHLB-MRXNPFEDSA-N 291.439 3.797 30 20 CHED N#CCC1(CNC(=O)N2CCCC[C@@H]2c2ccccc2)CC1 374032095 IUASSSJMQHLTTO-MRXNPFEDSA-N 297.402 3.617 30 20 CHED C=CCCNc1cc(Br)ccc1OCC 379922675 IUPNBXHBFHHWJN-UHFFFAOYSA-N 270.170 3.836 30 20 CHED Cc1ccc(C#N)cc1OCc1cnc2ccccc2c1 384771264 PWIHSXAVZKIJGY-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(Br)cn1 393737245 CNSOOUQLFQZGHP-PWSUYJOCSA-N 283.213 3.849 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 410721733 YGCNMHVSKDAGQO-KXBFYZLASA-N 298.430 3.626 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@@H](C)c1ccc(F)cc1F 410831593 ZWGVEEBEXUOBSA-DGCLKSJQSA-N 294.345 3.609 30 20 CHED C=CCN(C)CCN(CC)Cc1cccc(C(F)F)c1 411649160 QZQJSFNPLGMIKZ-UHFFFAOYSA-N 282.378 3.564 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@H]2CCC[C@H](N)C2)c1 420280382 LEMKJYMRCQXBCR-RYUDHWBXSA-N 297.324 3.506 30 20 CHED CC(C)c1ccc(C(=O)NCc2ccc(C#N)s2)cc1 421600996 MMUMNHRVMABNLX-UHFFFAOYSA-N 284.384 3.673 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C)nn1CCCCC 424696853 CGTZWWNUKDKDLN-UHFFFAOYSA-N 277.412 3.923 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCCc2ccc(F)cc21 424807781 FXTOFOQRXAWCFK-HNNXBMFYSA-N 275.367 3.922 30 20 CHED CCc1nc(C)c(CN(Cc2ccc(C#N)cc2)C2CC2)o1 428346291 FFIYLWMFUJYUOI-UHFFFAOYSA-N 295.386 3.582 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)Nc1ccccc1F 433119566 VRNSYDZUNANSJG-AWEZNQCLSA-N 282.318 3.537 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435356970 JPFAJUWTJPHXFN-RHSMWYFYSA-N 286.375 3.720 30 20 CHED C=C(C)CS(=O)(=O)N[C@@H](c1ccccc1)C(CC)CC 435440068 ZCUXHQLVEQOGPQ-MRXNPFEDSA-N 295.448 3.659 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(F)c1SC 437187385 FSDMHRQAJJFEBY-NSHDSACASA-N 279.380 3.728 30 20 CHED C[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 437400347 KJXIZHHAUBROJT-LLVKDONJSA-N 280.318 3.534 30 20 CHED CCN(CC)Cc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442858206 OQBUXORQLMZBGF-YOEHRIQHSA-N 271.408 3.633 30 20 CHED CC[C@@H](NCC1(N(C)C)CCCCC1)c1ccc(C#N)cc1 447523037 SEKZZMVTWPBVNV-GOSISDBHSA-N 299.462 3.863 30 20 CHED C[C@H]1CCC[C@@](CNC2CCC(C)(C#N)CC2)(N(C)C)C1 449086696 SIGKKDUGEORHHS-FCCDEINASA-N 291.483 3.559 30 20 CHED CC[C@H](CC#N)NCc1cc(OC)c2ccccc2c1 449244407 SGHYJVYLGXQMFO-OAHLLOKOSA-N 268.360 3.630 30 20 CHED C=CCCCC[C@@H](C)NCCc1nnc(C(C)C)s1 449340740 QARWLOQYNAKPPN-CYBMUJFWSA-N 281.469 3.929 30 20 CHED C=C(C)CCN[C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 449473968 ISRBIUWVBZOKCT-CYBMUJFWSA-N 284.403 3.590 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)Cc1ccccc1SC 449548533 OGXBDPZTZUEPES-IMJJTQAJSA-N 291.460 3.663 30 20 CHED C=C(CC)CNCc1cn(C)nc1C1CCCCC1 449737400 ZSVHSAJXTCWWAO-UHFFFAOYSA-N 261.413 3.524 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(COC2CCCC2)cc1 449915369 ODMDUVMZNYDVIX-ACJLOTCBSA-N 298.386 3.634 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)C(F)(F)F)CCCCC1 450736514 GCFIRQSQGSNCPG-LLVKDONJSA-N 277.330 3.828 30 20 CHED C[C@H](CCCc1cccnc1)NCc1cc(C#N)ccc1F 453144163 FRCJJMJFVDXVNY-CQSZACIVSA-N 297.377 3.593 30 20 CHED C=CCCc1noc([C@@H]2COc3ccc(Cl)cc3C2)n1 453250040 XLJUNUXARPNFML-NSHDSACASA-N 290.750 3.560 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)Nc1cccc(CC#N)c1 455907731 POOWWIQDPWNUGO-DOTOQJQBSA-N 285.391 3.699 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCO[C@H](CC)C2)CCCCC1 456364482 JTSJFWXBDRSFHG-HZPDHXFCSA-N 293.451 3.977 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H](C)n3ccnc32)CCCCC1 456417583 KRFVGFOHXKLUFZ-UONOGXRCSA-N 287.407 3.532 30 20 CHED Cc1cc(CN2CC(C)(CC(F)(F)F)C2)ccc1C#N 459643742 VSJMXKGOAUYKLU-UHFFFAOYSA-N 282.309 3.641 30 20 CHED C[C@H]1C[C@H](C(=O)N(CC#N)c2ccccc2)CC[C@H]1C 460067194 QZXUAZBZHRUPSA-QLFBSQMISA-N 270.376 3.615 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1F 461746039 NPDYNLFLUDSSGS-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C[C@H](C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1)c1cccc(C#N)c1 462547472 GYRFGWFLCRGUTH-QDEZUTFSSA-N 284.403 3.603 30 20 CHED C[C@@H](C(=O)N1CC[C@H](C(C)(C)C)C1)c1cccc(C#N)c1 462549597 JKEAIVIYTGESEQ-CJNGLKHVSA-N 284.403 3.556 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(OCCCC)cc1C 465153304 GCRROGFLUDDXQT-CYBMUJFWSA-N 276.380 3.870 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 465262448 RBPHEEHWKVPRLY-AWEZNQCLSA-N 287.407 3.619 30 20 CHED C=C(C)C[C@H](C)C(=O)N(CC(=O)OC(C)(C)C)[C@@H](C)CC 466429263 WUMFRQMPNIWYBY-KBPBESRZSA-N 297.439 3.558 30 20 CHED C=CCCN(C)C(=O)c1cc2c(s1)-c1ccccc1OC2 468181653 BRHXQGMKAUMBPX-UHFFFAOYSA-N 299.395 3.956 30 20 CHED CC(C)[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 469445252 ZFGANWHIJQHCGK-QGZVFWFLSA-N 296.345 3.824 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1C 469935513 OHTKGSKDTVNJKN-UHFFFAOYSA-N 293.370 3.859 30 20 CHED C=CCCCCNC(=O)CCc1ccc(C)cc1C 471683609 WOAYVFAUOSVJMR-UHFFFAOYSA-N 259.393 3.709 30 20 CHED C=CCC[C@H](O)CN1CC[C@H](C)Sc2ccccc21 472753177 QBDVFAMWLYSGLO-KBPBESRZSA-N 277.433 3.704 30 20 CHED C=CCC[C@@H](C)NCc1oc2ccccc2c1OC 474053305 CAIKDSHEFYGOKZ-GFCCVEGCSA-N 259.349 3.886 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ncc(Cl)cn1 480558637 VLIQEWDCRQXABQ-UHFFFAOYSA-N 273.767 3.713 30 20 CHED CC[C@@]1(C)CCN(Cc2ccc(Cl)cc2C#N)C1 480598968 BZQUNVGHTAXUIA-HNNXBMFYSA-N 262.784 3.834 30 20 CHED C[C@H]1CCN(Cc2ccc(Cl)cc2C#N)C[C@@H]1C 480874681 ZIVRRYAARWTKFL-RYUDHWBXSA-N 262.784 3.690 30 20 CHED C=CCn1c(S[C@H](C)CCC)nnc1-c1ccccn1 481392209 SPVOMCORNYYXRL-GFCCVEGCSA-N 288.420 3.807 30 20 CHED C=CCCC1(C(=O)N(C)[C@H]2CCc3ccccc3C2)CC1 483564385 SIOZWBKUCGKTPV-KRWDZBQOSA-N 283.415 3.749 30 20 CHED C=C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 486485908 KMPUIATWROZBDR-SNVBAGLBSA-N 298.289 3.741 30 20 CHED C=CCCC[C@@H](C)NCc1scnc1C1CC1 487543293 UHCJIPXBXUMNMH-LLVKDONJSA-N 250.411 3.855 30 20 CHED N#CCCNC(=O)Nc1cccc(Oc2ccccc2)c1 488395745 KCVWMNUMZLLPKL-UHFFFAOYSA-N 281.315 3.514 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)CCc1cccc(F)c1 488879992 KXWRZNMJUGEVKO-WMLDXEAASA-N 289.394 3.962 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc(Cl)cc2F)n1 489949342 TYJYMIDPTIEZPJ-UHFFFAOYSA-N 289.741 3.975 30 20 CHED C/C(=C\c1ccccc1)CN(C)C(=O)c1cccc(C#N)c1 494867433 CJJZZQVYZDWEKG-RVDMUPIBSA-N 290.366 3.734 30 20 CHED C=CCn1c(N2CCC[C@@H](CCC)C2)nnc1C(C)(C)C 508512057 WSRCRONICRPLBP-CQSZACIVSA-N 290.455 3.778 30 20 CHED C=C(C)CCc1noc([C@H](C)Cc2ccc(OC)cc2)n1 508680570 PWFIRKSMQKIUGM-CYBMUJFWSA-N 286.375 3.933 30 20 CHED C=CCn1c(CC(C)C)nnc1N1CC[C@@H](CC(C)C)C1 508748991 UBECGIRFMMEJKV-HNNXBMFYSA-N 290.455 3.535 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)C[C@@H](C)c1ccccc1 508827471 QVMOPPKPRMYTLM-OAHLLOKOSA-N 298.434 3.827 30 20 CHED Cc1ccc2nc(CNc3ccc(Cl)cc3C#N)cn2c1 511360168 NRXHSARVMBUTFC-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1C1CCCCC1 511806046 HWYMJPSJUWCPBQ-INIZCTEOSA-N 292.467 3.502 30 20 CHED C=CC1CCN(C(=O)NCC[C@@H]2CCCC[C@H]2C)CC1 512111893 BQJSGONPAJPCIA-ZBFHGGJFSA-N 278.440 3.810 30 20 CHED CCC(CC)CNC(=O)Nc1ccc(C#N)c(Cl)c1 519191728 NOSFCQWAZBLUQG-UHFFFAOYSA-N 279.771 3.769 30 20 CHED Cn1cc(NCc2ccc(C#N)cc2)c(C2CCCCC2)n1 520335604 MDKYRUQCLWXDBM-UHFFFAOYSA-N 294.402 3.952 30 20 CHED C=CC1CCN(C(=O)[C@H](C)c2cccc(Cl)c2)CC1 525137953 AZSHSQNPBSIVCI-GFCCVEGCSA-N 277.795 3.868 30 20 CHED COCc1ccc(N[C@@H](C)Cc2ccsc2)cc1C#N 529643109 IVBGYCKEPPNHFX-LBPRGKRZSA-N 286.400 3.809 30 20 CHED C=CCCC(=O)Nc1ccc2c(c1)CCC1(CCC1)O2 529705392 KORLRXHOKPBGCH-UHFFFAOYSA-N 271.360 3.839 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(CC)ccc1O 539392383 RTEAVRQPMMIFTK-UHFFFAOYSA-N 291.391 3.656 30 20 CHED C=CCOc1ccc(CN[C@@]2(C)CCO[C@@H]2C)cc1Cl 544368192 IOWQHAMPCKMTTC-WBMJQRKESA-N 295.810 3.562 30 20 CHED C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(=C)CC1 549597890 IQVSVPKJSZZCOR-UHFFFAOYSA-N 298.390 3.579 30 20 CHED Cc1cc(CN(C)CC(C)(C)C#N)cc(C)c1OC(F)F 552316979 WYNNZMURCNGGRO-UHFFFAOYSA-N 296.361 3.886 30 20 CHED CCCOc1ccc(CNc2cc(C)nc(C#N)c2)c(C)c1 553582602 AYFQOBBIIUQRGX-UHFFFAOYSA-N 295.386 3.971 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 555237100 NOPZMOCOLFNGNC-GJZGRUSLSA-N 299.418 3.596 30 20 CHED C=CCOCCNC1(c2cccc(C(F)(F)F)c2)CCC1 555421029 ZWZLQIWGUJVNSL-UHFFFAOYSA-N 299.336 3.877 30 20 CHED C[C@@]1(CNCc2ccc(C#N)cc2F)C[C@H]1c1ccccc1 555606349 IKLZFEPNFSOLDC-HKUYNNGSSA-N 294.373 3.981 30 20 CHED CC(C)(CNc1cc(C#N)ccn1)Cc1ccccc1 557599010 RUXJTHRHXQWZLP-UHFFFAOYSA-N 265.360 3.634 30 20 CHED Cc1cccc([C@H](C)C(=O)N(C2CC2)C2(C#N)CCC2)c1 560113828 LUNUQNGTEILWAJ-AWEZNQCLSA-N 282.387 3.536 30 20 CHED CC(C)CC[C@@H](NC[C@H](C#N)CCC#N)C(C)(C)C 562994813 ZTBRYSXXWFEVCW-LSDHHAIUSA-N 263.429 3.870 30 20 CHED Cc1sc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c(C#N)c1C 565877321 YHNOCBDQZYGXGF-WOPDTQHZSA-N 274.389 3.611 30 20 CHED CC(C)CC[C@H](NCCc1cccc(C#N)c1)C1CC1 573581982 ZQBNSJHSAVJTPO-SFHVURJKSA-N 270.420 3.905 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 573895344 WMGRYQBQGZSYMN-PVAVHDDUSA-N 276.424 3.647 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2ccccc2C#N)CC1 578444375 RSPYMIAGSCKUAG-ZDUSSCGKSA-N 254.333 3.633 30 20 CHED CN(C(=O)c1cn(CCCC#N)c2ccccc12)C(C)(C)C 579242890 CAPPTJXPMYJFNO-UHFFFAOYSA-N 297.402 3.816 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1c(Cl)cccc1Cl 586025803 FEBKQJLCTWSNPM-CYBMUJFWSA-N 285.174 3.549 30 20 CHED N#Cc1csc(/C=C\C(=O)c2ccc(O)c(Cl)c2)c1 588480338 KIUNAKRSQKOYOL-RQOWECAXSA-N 289.743 3.875 30 20 CHED Cc1ccc2sc(C(=O)N3CCC[C@@](C)(C#N)C3)cc2c1 589458669 JSVOEDIYNUIJMK-KRWDZBQOSA-N 298.411 3.976 30 20 CHED Cc1ccc(-c2ccc(O[C@H]3CCOC3)cc2)cc1CC#N 592985111 TZTOALKPXNNTRK-IBGZPJMESA-N 293.366 3.896 30 20 CHED Cc1ccc(C#N)cc1-c1ccc(N2CCCC2)nc1 592987620 ZPECIQCNKGSLIX-UHFFFAOYSA-N 263.344 3.529 30 20 CHED COc1ccc([C@@H](C)COc2ccc(C#N)cc2OC)cc1 594880831 FZTBMCYLKHOMOL-ZDUSSCGKSA-N 297.354 3.758 30 20 CHED C=C1CCN(C(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 595460281 XKMOSKUXTLQKOD-IXDOHACOSA-N 293.451 3.642 30 20 CHED CCc1nc(C#N)cc(S[C@H](C)c2ccc(F)cc2)n1 596094271 LUKOTKCILSDSAW-SNVBAGLBSA-N 287.363 3.903 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)CC1(C#N)CCCCC1 597758516 BJBXOBPSFACTFQ-HOCLYGCPSA-N 276.424 3.936 30 20 CHED C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)C1(F)F 599515334 SAZATWKNPJERHY-CHWSQXEVSA-N 272.383 3.930 30 20 CHED CCCN(C)c1ccccc1NC(=O)c1cc(C#N)oc1C 600752720 GOTFWCNIQBFXGV-UHFFFAOYSA-N 297.358 3.558 30 20 CHED C[C@@H](CCC#N)CNCC1(N2CCCCC2)CCCCC1 602510223 RIVLNCCXESXDQR-KRWDZBQOSA-N 291.483 3.705 30 20 CHED C[C@H](CCC#N)CNCc1ccc(F)c(Cl)c1 602528954 ROFKHGVAMSPZHP-SNVBAGLBSA-N 254.736 3.509 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cccc(CC#N)c1)C2 603737645 VCHPMVKENAKUFC-BXWFABGCSA-N 296.414 3.697 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 603847452 WBYCAHAVIGDZKH-ZTFGCOKTSA-N 268.404 3.959 30 20 CHED CC(C)CN(CCCCC#N)CCc1ccccc1 608832869 ZEGNVHOYKYFZCN-UHFFFAOYSA-N 258.409 3.881 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(NC2CCCCC2)cc1 609920916 OYZZBGVKIGWZJT-LBPRGKRZSA-N 271.364 3.529 30 20 CHED CCC(CC)(CC)C(=O)N1CCc2ccc(C#N)cc21 611139222 AKEXVKWWXCQVJA-UHFFFAOYSA-N 270.376 3.664 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1CCc2c(Cl)cccc21 611439586 ZGDZSQLIFVLVHD-AWEZNQCLSA-N 296.757 3.880 30 20 CHED CC(C)(C#N)CNc1cnc2cc(Cl)c(Cl)cc2n1 611764926 WEPZUJFTFQGPSS-UHFFFAOYSA-N 295.173 3.898 30 20 CHED N#Cc1cccc(OCCCCc2nc(C3CCC3)no2)c1 612897566 POGMBOALPRNNIN-UHFFFAOYSA-N 297.358 3.610 30 20 CHED CCc1ccccc1CC(=O)N[C@@H](C)c1cccc(C#N)c1 615479778 YXIZCOUSZFLVNH-AWEZNQCLSA-N 292.382 3.541 30 20 CHED C[C@H](CCN1CCC[C@@](C)(C#N)C1)OCc1ccccc1 616113716 FWSCNZSVWBSMMM-AEFFLSMTSA-N 286.419 3.607 30 20 CHED CC[C@H](NCCc1nc(C)cs1)c1ccc(C#N)cc1 618562593 QTYFAVXWXSOUOT-HNNXBMFYSA-N 285.416 3.607 30 20 CHED Cc1cc(CN[C@@H](C)c2ccsc2)ccc1C#N 619747879 NWTOJVLFMYAVLT-LBPRGKRZSA-N 256.374 3.779 30 20 CHED C=CCNC(=O)[C@@H](CCC)c1cccc(Cl)c1 623372411 SXSLIQARSFNQMZ-ZDUSSCGKSA-N 251.757 3.526 30 20 CHED C=CCN(C)C(=O)[C@@H](CCC)c1cccc(Cl)c1 626518404 LAMCETFHIXEHLO-AWEZNQCLSA-N 265.784 3.868 30 20 CHED C=C(C)CCNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 653055312 OETMJZRJVSPNBJ-HNNXBMFYSA-N 272.392 3.745 30 20 CHED C=CCCC[C@H](C)NCc1ccc(O[C@H]2CCOC2)cc1 657429331 QMTGXYOVOGGQSN-YJBOKZPZSA-N 289.419 3.689 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC1(CCOC)CC1 657928653 QERVLXAAKYRHKP-GJZGRUSLSA-N 251.414 3.528 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 661377507 OOUJNSSMHPUGIU-GFCCVEGCSA-N 289.404 3.586 30 20 CHED C=CCOc1ccc(CNC(=O)CC(C)(C)CC)cc1 671849542 QZOVVSPIPGQIBA-UHFFFAOYSA-N 275.392 3.694 30 20 CHED C=CCC[C@H](NCc1cc(C)ccc1OC)C1CC1 678581352 REFXKTLEACOKLC-INIZCTEOSA-N 259.393 3.838 30 20 CHED C=CCC1(C(=O)Nc2cccc(Cn3cccn3)c2)CCC1 682860070 COMDEHVXWNQVHD-UHFFFAOYSA-N 295.386 3.616 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C)ccn1 683001121 GJBQZVGTWRAIDY-UHFFFAOYSA-N 252.361 3.578 30 20 CHED CCCCCCCCNCc1nccn1C(C)C 692860842 RCVGFHASSHHSSH-UHFFFAOYSA-N 251.418 3.914 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccc(C#N)cc1 695813621 VFYAPXNWXSYETG-QWHCGFSZSA-N 255.365 3.537 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCCN(Cc2ccccc2)C1 695864610 NEIDCQKVIMVZJZ-AEFFLSMTSA-N 299.462 3.569 30 20 CHED C#C[C@@H](CCC)NC(=O)C1(c2cccc(Cl)c2)CCC1 700599566 FDZGCARULOHKOK-HNNXBMFYSA-N 289.806 3.680 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]1C(C)(C)O 707385359 FVRAEDKYPZLUFX-OAHLLOKOSA-N 283.456 3.889 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)cn1 710096272 QHDVGVAQBIHJEJ-LLVKDONJSA-N 287.750 3.810 30 20 CHED COc1cccc(NN=C[C@@H](C)c2ccccc2)c1 725852994 BIKUTQUIWYMISV-CYBMUJFWSA-N 254.333 3.897 30 20 CHED C#Cc1cccc(NC(=S)NC[C@H]2CCC[C@H](C)C2)c1 726475218 OIPWLQDDCXKIDU-ZFWWWQNUSA-N 286.444 3.781 30 20 CHED c1ccc(OCCCNN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 729147994 PWSGFTSMLQRBML-UBDQQSCGSA-N 298.430 3.857 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)ccc1F 729148576 CJQHGEUMHPWGME-ZZXKWVIFSA-N 282.314 3.965 30 20 CHED C=CCOCC(=O)Oc1ccc2oc3ccccc3c2c1 729303966 AWDJBBMXSQKQTM-UHFFFAOYSA-N 282.295 3.694 30 20 CHED Cc1cccc2c1OC/C(=C\c1cccc(F)c1F)C2=O 730729491 JIHYVPWYMSOJCM-XYOKQWHBSA-N 286.277 3.932 30 20 CHED Cc1cccc(C=NNc2cccc([N+](=O)[O-])c2C)c1C 731153649 WSTPDITYIHVBTE-UHFFFAOYSA-N 283.331 3.966 30 20 CHED C=CCOc1ccccc1C(=O)NC[C@H](C)C(C)(C)C 734337531 WVZCMSLHCBXBFJ-ZDUSSCGKSA-N 275.392 3.663 30 20 CHED C=CCCCOC(=O)[C@@H](C)Oc1cccc(Cl)c1 735532941 RMMZPSFPGDSHHE-LLVKDONJSA-N 268.740 3.617 30 20 CHED CC(/C=C/C(=O)c1cncs1)=C\c1ccccc1 735793431 YTHCFYKNEYGMMQ-ANKZSMJWSA-N 255.342 3.986 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 736240728 PZTQJUHVAFOFGW-ZDUSSCGKSA-N 295.810 3.754 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1ccc(Cl)s1 736398251 WOFIUIDTNMBWJD-SSDOTTSWSA-N 279.192 3.514 30 20 CHED C#CCOc1ccc(NC(=O)[C@@H](C)c2cccc(C)c2)cc1 739562232 APBOBGZKXLYNTJ-HNNXBMFYSA-N 293.366 3.749 30 20 CHED C=CCCCCCN(C)C(=O)c1c(O)cccc1Cl 740142000 FJOPACWEHLFROY-UHFFFAOYSA-N 281.783 3.864 30 20 CHED COc1cccc(/C=N/C[C@@H](C)c2cccc(C)c2)c1O 741165941 UBKKVYPXEUGLPN-ONDHQXCVSA-N 283.371 3.932 30 20 CHED CCCCCCCOC(=O)Cc1ccn(C(C)C)n1 745322008 QVRIMTHQEFDCPE-UHFFFAOYSA-N 266.385 3.520 30 20 CHED CCCCCCCCCNC(=O)Nc1cc(C)n(C)n1 748638077 QDDGJUCDTBNABK-UHFFFAOYSA-N 280.416 3.601 30 20 CHED Oc1ccc2ccccc2c1/C=N/[C@@H]1CCCSC1 749008041 RSPYJXPTCZXKTQ-VGSSETLESA-N 271.385 3.860 30 20 CHED CN(C)c1ccc(/C=C2/Cc3c(F)ccc(F)c3C2=O)cc1 749583231 WARMNEYBKCVSQK-XFXZXTDPSA-N 299.320 3.853 30 20 CHED C#CCCN[C@@H](Cc1ccccc1)c1sccc1C 754360590 GLXSRMSNLLMEBE-INIZCTEOSA-N 269.413 3.953 30 20 CHED CCCCCCCCNC(=O)NCc1ncc(CC)s1 754865176 LCYLMDZQGNOCNF-UHFFFAOYSA-N 297.468 3.865 30 20 CHED CCCCCCCCNC(=O)NCCc1cnc(C)s1 754865736 RFXZGVDYMCBOEP-UHFFFAOYSA-N 297.468 3.654 30 20 CHED C=C(C)CN(CC)Cc1c(F)c(F)c(F)c(F)c1F 755204651 YUXPYPZCISJVPV-UHFFFAOYSA-N 279.252 3.780 30 20 CHED CCCCC(=O)OCc1cc(C#N)ccc1Br 755506839 MLUGGGFSXMNWDO-UHFFFAOYSA-N 296.164 3.554 30 20 CHED CC1(C)CCC[C@H](C(=O)Oc2ccc(C#N)cc2F)C1 756661466 BNWHBOODCUAEMQ-LBPRGKRZSA-N 275.323 3.819 30 20 CHED C#CC[C@H](Nc1ccc([N+](=O)[O-])s1)c1ccccc1 756953189 ITXNEDGWIICQAO-LBPRGKRZSA-N 272.329 3.833 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(C2SCCS2)c1 757191701 BWGRVRFKSQHIFX-SNVBAGLBSA-N 294.445 3.861 30 20 CHED C=C(Cl)COC(=O)c1cccc(C)c1Br 757811884 FNTYQCLMFQXFON-UHFFFAOYSA-N 289.556 3.667 30 20 CHED C#CCCc1noc(-c2cc(C)c(OC(F)F)c(C)c2)n1 761999523 OQKJPSOXHWOBRB-UHFFFAOYSA-N 292.285 3.521 30 20 CHED Oc1nc2ccccc2cc1/C=N\[C@H]1CCC(F)(F)C1 763097132 PRAKJWYEMGEHDS-PGQWVYTBSA-N 276.286 3.547 30 20 CHED CC(C)[C@@H]1CCCCC1=NNc1ncccc1[N+](=O)[O-] 764695946 FKQDMDFAIMPUAN-NSHDSACASA-N 276.340 3.604 30 20 CHED C#CCCCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 766905929 NGVVBNVBEVXSCJ-CYBMUJFWSA-N 298.213 3.860 30 20 CHED C#C[C@@H](C)N(C)C(=O)/C=C\c1cccc(OC2CCCC2)c1 767244461 YHIQOFBPYVKWAX-WIDZWVOGSA-N 297.398 3.501 30 20 CHED CC(C)(C#N)C(=O)OCCCSc1ccccc1Cl 767289310 XFQPUEUAZBZJBX-UHFFFAOYSA-N 297.807 3.915 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2ccccc2C2CC2)c1 768375291 NYILONZROLRIBI-UHFFFAOYSA-N 296.761 3.930 30 20 CHED N#Cc1ccc(CC(=O)O[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 771012803 WIEZYPVFCVSFNT-GVDBMIGSSA-N 283.371 3.613 30 20 CHED Cc1cccc(NN=Cc2cn(C)nc2-c2ccccc2)c1 771552910 KTQCHTIROAZSLJ-UHFFFAOYSA-N 290.370 3.842 30 20 CHED CC(=NNCC(C)C)c1sc(C(C)(C)C)nc1C 771567988 UXPWLFKJYHYFIT-UHFFFAOYSA-N 267.442 3.719 30 20 CHED Cc1cc(F)ccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 771598736 YSGZWBVDQXWANM-LBPRGKRZSA-N 283.302 3.924 30 20 CHED N#Cc1ccc(/C=C2\CCc3sccc3C2=O)c(F)c1 772807767 STVQUEHDNYHCGK-XYOKQWHBSA-N 283.327 3.971 30 20 CHED CCC(=NNC1CCCCC1)c1ccc(C#N)cc1 773075737 YNWRWGHERCYGML-UHFFFAOYSA-N 255.365 3.595 30 20 CHED C=C(CC)CSCc1ccccc1CC(=O)OC 773291488 WOSWPTNQLWFRKS-UHFFFAOYSA-N 264.390 3.602 30 20 CHED C=C(CC)COC(=O)c1ccc(Cl)nc1Cl 773504811 WUDRTXRFRFQATO-UHFFFAOYSA-N 260.120 3.511 30 20 CHED C=CC1CCN(Cc2ccc(N(C)CC)cc2)CC1 773758801 ZRZJGACULDUTMR-UHFFFAOYSA-N 258.409 3.541 30 20 CHED CCC(CC)CNN=Cc1cccc(OCCCC#N)c1 774460339 FNUZDMJASOSEAC-UHFFFAOYSA-N 287.407 3.729 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCC(C)(C)O)cc1 775585748 JBQIHNAXAROYAS-ZDUSSCGKSA-N 297.826 3.630 30 20 CHED C[C@H](CC(=O)OCCC(C)(C)C#N)c1cccc(F)c1 776385657 MDQQCZXTKVHZGG-GFCCVEGCSA-N 277.339 3.802 30 20 CHED Cc1cc(F)c(C(=O)O[C@@H](C#N)C2CCCCC2)cc1F 776395787 BNXMFPSVCBXINX-HNNXBMFYSA-N 293.313 3.903 30 20 CHED O=C(/C=C\c1cc(F)cc(Cl)c1)c1cncc(F)c1 776720672 SJVKMWGOQPAJIH-UPHRSURJSA-N 279.673 3.909 30 20 CHED C[C@@H]1CC[C@@H](C)C1N[C@@H]1CCCc2cc(C#N)ccc21 777126706 KCHHQJDLTZFDAI-PBFPGSCMSA-N 268.404 3.960 30 20 CHED C=CC[C@H](C(=O)OCc1cccc(C#N)c1)c1ccccc1 778428722 TUHMSELDLOBWFI-SFHVURJKSA-N 291.350 3.961 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C)C2)cc1 783305819 AQPIBQRREZKDIE-OFQRWUPVSA-N 257.377 3.538 30 20 CHED Cc1ccnc(NN=Cc2cn(C)nc2C2CCCCC2)c1 783855199 JIPVHQXWZMYJQQ-UHFFFAOYSA-N 297.406 3.617 30 20 CHED Cc1c(Cl)cnc(N2CCCCCCC2)c1C#N 784139775 OYKGBQZMKFXYJN-UHFFFAOYSA-N 263.772 3.686 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 786630908 VVWFXPLTOHWWKX-AWEZNQCLSA-N 297.738 3.894 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ncsc1-c1ccccc1 787085818 FSAAGTWPRWCZNK-LBPRGKRZSA-N 286.356 3.659 30 20 CHED CC(=NNc1ccccc1C(=O)O)C1CCC(F)(F)CC1 788702610 UCQYYGZEJHCZNR-UHFFFAOYSA-N 296.317 3.998 30 20 CHED CCC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cn[nH]c1 788995956 YYAJGPAPDNRMBZ-ZDUSSCGKSA-N 284.407 3.998 30 20 CHED Clc1cccc(CNN=Cc2cccnc2)c1Cl 790182615 FBLMSBHMEHFIDR-UHFFFAOYSA-N 280.158 3.512 30 20 CHED CCCCCCCCCN1CCC(CNC(C)=O)CC1 792210633 OZUIOVGBQQJKAF-UHFFFAOYSA-N 282.472 3.585 30 20 CHED CC(=NNCCOC(C)C)[C@@H](C)c1ccc(Cl)cc1 794526884 RWWCLFHDKKSQND-GFCCVEGCSA-N 282.815 3.834 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccnc(F)c1 794720383 QLPNBTQUTCARBT-HWKANZROSA-N 259.255 3.564 30 20 CHED COc1cc(F)cc(NN=C2CCC[C@H]2c2ccccn2)c1 794919204 RJBLFYAQSPVQFS-HNNXBMFYSA-N 299.349 3.965 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C/C(=O)c1ccsc1 794934858 NTFVRBXFOVSKFA-ONEGZZNKSA-N 286.352 3.959 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1cc(F)ccc1F 794937136 FVEFNNYLYIDALO-DJWKRKHSSA-N 296.219 3.845 30 20 CHED CCn1nccc1/C=C1\CC(C)(C)c2ccccc2C1=O 794967660 HNWNZVQCINUPQT-ACCUITESSA-N 280.371 3.851 30 20 CHED CC[C@H](C)CCC(=O)[C@H](C#N)c1nc2ccccc2o1 796816780 KGPAXQLDHYRZIW-RYUDHWBXSA-N 270.332 3.830 30 20 CHED C#CCCCCNC(=O)[C@H](C)c1cccc(CC(C)C)c1 797155934 YYWOJMMRIAMQPY-MRXNPFEDSA-N 285.431 3.908 30 20 CHED CCCCCCCCOCC(=O)N1CCC=C(C)C1 798090505 MZJZYVJBCFJFLT-UHFFFAOYSA-N 267.413 3.542 30 20 CHED C=CCN(C(=O)[C@H](CC)c1ccc(OC)cc1)C(C)C 798953448 HDXYAFDMRGCXBW-MRXNPFEDSA-N 275.392 3.612 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(C)C 799047384 XMNMJWVCPZXNNQ-HZMBPMFUSA-N 298.213 3.871 30 20 CHED CCCCCCC(=O)COC(=O)c1ccc(C)c(C#N)c1 799549018 IECFZROSJPIKLF-UHFFFAOYSA-N 287.359 3.563 30 20 CHED CCc1cc(C#N)ccc1OCc1ccc2c(c1)COC2 799587882 LJLSVJHAHRJBSH-UHFFFAOYSA-N 279.339 3.730 30 20 CHED CC[C@H](C)Oc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 799721336 BPFHEVXSSGWUEY-YDHLFZDLSA-N 258.365 3.968 30 20 CHED c1ccc2nc(NN=C3CCCC34CCOCC4)ccc2c1 799865760 WJUUPILWOVNYJI-UHFFFAOYSA-N 295.386 3.983 30 20 CHED CC#CC(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 801182612 PVRTUENKMAZLTN-UHFFFAOYSA-N 299.370 3.616 30 20 CHED Cc1cccc(CN(CCO[C@H](C)C#N)Cc2ccco2)c1 801930031 CEOIHQBMMSROGO-MRXNPFEDSA-N 298.386 3.519 30 20 CHED N#CCCCCCC(=O)OCc1ccc(F)cc1Cl 805696604 GHKBPIRHRADVIS-UHFFFAOYSA-N 283.730 3.996 30 20 CHED Oc1ccc(Cl)cc1/C=N/[C@H](C1CC1)C(F)(F)F 806550480 CSXPQWWAJWYYSS-LDFGVUFUSA-N 277.673 3.805 30 20 CHED O=C(/C=C\c1cc(F)ncc1F)c1ccc(Cl)cc1 806565485 OLVJINRVHOIEPO-UTCJRWHESA-N 279.673 3.909 30 20 CHED C[C@H](NC(=S)NCC(C)(C)CCC#N)c1cccs1 806596929 BPNIWKJWJJOYFH-NSHDSACASA-N 295.477 3.603 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](C)c1cc2ccccc2o1)C(C)(C)C 808294010 MORJUROCMJARKL-BLLLJJGKSA-N 298.386 3.841 30 20 CHED C#C[C@H](NC1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C(C)(C)C 809781522 UJKITHYPYQUKHS-NXHRZFHOSA-N 290.495 3.667 30 20 CHED CCOC(=O)c1ccc(NN=C[C@H](C)CCC#N)cc1C 812228343 MGMBPQMUVODHOV-GFCCVEGCSA-N 287.363 3.509 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NOCCOC(C)C 812237694 KGPHZKNHEOPFJA-UHFFFAOYSA-N 289.297 3.789 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C)c(Cl)cc1OC 814714065 PPSJGZCFUYRYIR-UHFFFAOYSA-N 289.709 3.807 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@@H](CC(=O)O)[C@H]1C 814859445 VDYOQWYNNKIYSG-MJBXVCDLSA-N 282.428 3.812 30 20 CHED Fc1cc(NN=Cc2cccnc2Cl)cc(F)c1F 814863801 CQOYKDGOLLKWOQ-UHFFFAOYSA-N 285.656 3.598 30 20 CHED CCCC(=NN[C@@H]1CCCC1(C)C)c1cccnc1 814917248 IWTVITXPRMOEIK-OAHLLOKOSA-N 259.397 3.754 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(N)cc2)cc1 814984430 OAJIKFNIYOETHZ-UHFFFAOYSA-N 269.348 3.504 30 20 CHED Cc1ccc(COC(=O)c2ccc(C(C)(C)C#N)cc2)o1 816429928 YADGKXSZXQUXJA-UHFFFAOYSA-N 283.327 3.746 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(-c2ncco2)c1C 816798889 ZGKMWVVKXHUKET-UHFFFAOYSA-N 292.285 3.800 30 20 CHED C#Cc1cccc(CN[C@@H]2CCC[C@H](c3cccnc3)C2)c1 825227410 TVKLJZHPSDRCBH-AZUAARDMSA-N 290.410 3.879 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2sccc2C)cc1 834893220 UFBKZEVUAAFDEG-AWEZNQCLSA-N 285.412 3.919 30 20 CHED CON=C1CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 834939075 YZRBSJZGZHZNGA-OCCSQVGLSA-N 296.411 3.579 30 20 CHED CC(CCCc1cccnc1)=NOC/C=C/Cl 834979271 MAKAKEMDOIKLJP-CGOKBXKZSA-N 252.745 3.549 30 20 CHED COc1ccc(C(CCC(C)C)=NNc2ccncn2)cc1 835000868 HRFRWLNMEYERPM-UHFFFAOYSA-N 298.390 3.738 30 20 CHED C[C@H](OC(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1cccc(C#N)c1 835132414 RZYNHDZIJIRMAV-DDWPSWQVSA-N 269.344 3.599 30 20 CHED C=CCOc1ccc(COC(=O)CC2CC(F)(F)C2)cc1 835304161 QFQFJQMPVUZNQI-UHFFFAOYSA-N 296.313 3.730 30 20 CHED Cn1cccc1[C@H]1CCCCCN1C(=O)C#CC(C)(C)C 837327090 WKGJXJCRJJJDGH-MRXNPFEDSA-N 286.419 3.518 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1cc2ccccc2o1 837568391 KFUVGWZZKFLQJK-GFCCVEGCSA-N 269.344 3.660 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cnc3c(F)cccc3c2)C1 839061935 JCFCSYBIBUTZAL-FZMZJTMJSA-N 298.317 3.613 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccccc1C(C)(F)F 839408247 DEPSUVJDYVLSQG-UHFFFAOYSA-N 265.303 3.786 30 20 CHED C[C@@H](C/N=C/c1cc2ccccc2nc1O)CC(F)(F)F 840714154 XPOJFCGNFFKCFZ-XTTRTJGBSA-N 296.292 3.948 30 20 CHED CCCCCCO[C@H](C)C(=O)O[C@H]1CCC[C@H](C#N)C1 841255881 POXHQUPVGWBANO-ILXRZTDVSA-N 281.396 3.597 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(OCC(C)C)cc2)no1 844549259 AUZMCOSVFIZBDN-TWGQIWQCSA-N 285.343 3.914 30 20 CHED CC[C@@H]1CCCC(=NNc2ccc(CC(=O)O)cc2)C1 848415059 HWHHOVCKHUPWKX-GFCCVEGCSA-N 274.364 3.682 30 20 CHED COC(=O)/C=C\c1ccc(/C=C2/CCCC(C)(C)C2=O)o1 848640159 IKRQQKGGCJRJBP-MURFETPASA-N 288.343 3.628 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\C(=O)c2ccccc2C1(C)C 849246204 PQLWMQYOXYMSHG-MHWRWJLKSA-N 292.382 3.855 30 20 CHED C=CCCN[C@@H](C)c1cc(Br)c(F)cc1O 850502056 JEIAZBLTVLKKNK-QMMMGPOBSA-N 288.160 3.521 30 20 CHED CCC(=O)c1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851206145 MUAFBBCRSUVQGN-LBPRGKRZSA-N 287.359 3.764 30 20 CHED C[C@@H]1CCCCN1N=Cc1csc(C(C)(C)C)n1 853380379 PTEMFURNZBYPAF-LLVKDONJSA-N 265.426 3.649 30 20 CHED COc1ccc(C=NN2CCCC[C@H]2C)cc1OC(F)F 853381177 XWBLKENDLOTASN-LLVKDONJSA-N 298.333 3.505 30 20 CHED Brc1ccccc1CCCON=CC1CC1 853734541 FGQCESLCMXGQBP-UHFFFAOYSA-N 282.181 3.794 30 20 CHED C#C[C@H](OC(=O)Cc1nc(C)sc1C)c1ccc(C)cc1 860962243 IDHCOAMGAPAQIF-INIZCTEOSA-N 299.395 3.529 30 20 CHED CCCCCCCC(=O)N1CCC(CCOC)CC1 862431532 PVICXGCZKTVLRX-UHFFFAOYSA-N 269.429 3.622 30 20 CHED CCC(=NN[C@@H]1CCc2c(F)cccc21)c1ccc(N)cc1 863118262 SJXNXEBCDRQIQN-GOSISDBHSA-N 297.377 3.799 30 20 CHED Cc1cc(=NN=C2CC[C@@H](c3ccccc3)C2)cc[nH]1 863159747 ZOEJKJBWPHZZCJ-OAHLLOKOSA-N 265.360 3.548 30 20 CHED Cc1sc2ncnc(NN=CCC(C)C)c2c1C 863965137 HOCHSQIMFOQMCS-UHFFFAOYSA-N 262.382 3.752 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(Cl)nc(Cl)c1 875564688 KGTBSEMXQJZFLH-UHFFFAOYSA-N 286.162 3.657 30 20 CHED C=CCCCC(=O)Nc1c(C(C)C)nc2ccccn12 887073235 PPVPINJLEZBGTC-UHFFFAOYSA-N 271.364 3.753 30 20 CHED Cc1cc(C#N)nc(N2CCC[C@H]2c2cccs2)c1 891513166 CVVIPWVEXAVMRH-ZDUSSCGKSA-N 269.373 3.665 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1sccc1OC 899366473 MKKTYLDBQRQOJR-WAYWQWQTSA-N 277.345 3.512 30 20 CHED C(=NNc1nccc2sccc12)c1cnn(C2CCC2)c1 901169855 BBWAWJAVLOSZQK-UHFFFAOYSA-N 297.387 3.664 30 20 CHED C=C/C=C/CCSCCCC1(C#N)CCOCC1 902452957 NMYASTQFRLXSOC-ONEGZZNKSA-N 265.422 3.952 30 20 CHED CC[C@H](NC[C@H](CCO)CC(C)C)c1cccc(C#N)c1 902827855 QLQNQVGQDJDRNS-AEFFLSMTSA-N 288.435 3.644 30 20 CHED CC[C@@H](NCc1cccnc1C)c1cccc(C#N)c1 903070331 UEMRUIGWKYVTOU-QGZVFWFLSA-N 265.360 3.503 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc3c(c2)CCC3)no1 903703711 KSNNSYDEERVIKC-HOTGVXAUSA-N 296.370 3.674 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)CCCCCC 915887333 YOMVEORVUJXDLR-AWEZNQCLSA-N 252.402 3.729 30 20 CHED Cc1cc(NN=Cc2cccc(C(F)(F)F)c2)nc(C)n1 915970562 GXYSKDXMJGDCOI-UHFFFAOYSA-N 294.280 3.558 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)Cc2ccccc2C)c1 916673357 DADXJARFQPVMSP-HNNXBMFYSA-N 292.382 3.729 30 20 CHED Cc1ccc(C#N)cc1-c1nc([C@H]2CCCCS2)no1 923967143 ZFAQEZPLDODJHY-CYBMUJFWSA-N 285.372 3.875 30 20 CHED C=CC(C)(C)Cc1nc(Cc2ccc(Cl)nc2C)no1 924241625 KTAJWWROQAZQKB-UHFFFAOYSA-N 291.782 3.772 30 20 CHED C=C(Cl)COc1ccc(F)c2c1C(=O)C[C@@H]2C 928545725 DWQJCBXDIDBXSZ-ZETCQYMHSA-N 254.688 3.647 30 20 CHED C=C1CCN(C(=O)Nc2ccc(SC)cc2OC)CC1 931095574 QGTWKWNPKJFVDH-UHFFFAOYSA-N 292.404 3.601 30 20 CHED C=CC1CCN(C(=O)c2ccc(C)c3cccnc23)CC1 932506918 VOMUELQNZLTLAT-UHFFFAOYSA-N 280.371 3.581 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2cccc(F)c2[C@H]1C 933271867 YVCVFPIZAXAUPX-OLZOCXBDSA-N 275.367 3.874 30 20 CHED CC#CCCCC(=O)N1CCC(Cc2ccc(C)cc2)CC1 1116611917 XWDFLYUJVVQDID-UHFFFAOYSA-N 297.442 3.970 30 20 CHED C#Cc1ccccc1CC(=O)NC(C)(C)C1CCCCC1 1117662873 PKPOFFUEMZNWNY-UHFFFAOYSA-N 283.415 3.686 30 20 CHED Cc1nc(NCc2cccc(C(F)F)c2)ccc1C#N 1117711142 PEEAPZWIWSIFDE-UHFFFAOYSA-N 273.286 3.811 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](F)Cc1ccccc1 1120814161 XUKAYDFHWOQFPF-CVEARBPZSA-N 275.367 3.524 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(CC#N)c1 1123330730 PESFAHDPVNJIGD-INIZCTEOSA-N 283.375 3.715 30 20 CHED N#Cc1cccc2c1CCN2CCc1ccccc1Cl 1195315740 UNMUUWSHUHORRX-UHFFFAOYSA-N 282.774 3.817 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ncc(-c3ccccc3)s2)C1 1202902679 MPDNSKSKMUHZPU-GXTWGEPZSA-N 283.400 3.592 30 20 CHED Cc1cc(C#N)nc(-c2csc3ccccc23)n1 1238886581 NHEDQSCZTZKOCT-UHFFFAOYSA-N 251.314 3.538 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2cccc(OCC#N)c2)C1(C)C 1262364757 HFJUOBCXSQSMKR-JKSUJKDBSA-N 288.391 3.593 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(CC)C1CC1 1301017924 PUJBBFCVEHHRKS-JTQLQIEISA-N 282.819 3.533 30 20 CHED CCc1ccc(C=NOCc2ncoc2C(C)C)cc1 1319742644 WIUQWQSXBDYROM-UHFFFAOYSA-N 272.348 3.911 30 20 CHED Cc1oc(C(C)C)nc1-c1nnc(-c2cccc(C#N)c2)o1 1327866913 VUYBRTXGURQHRS-UHFFFAOYSA-N 294.314 3.695 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1nc(C(C)(C)C)cs1 1332843356 IEFFISHVTWFRDQ-LBPRGKRZSA-N 293.480 3.901 30 20 CHED C[C@@H]1CCCC[C@H]1Cc1nnc(-c2ccc(C#N)cc2)o1 1333058933 KQVBPOOTNUHOJH-DOMZBBRYSA-N 281.359 3.977 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCCC1)c1ccc2c(c1)CCO2 1339168820 ZAJIFEOZUFODKC-ZDUSSCGKSA-N 299.370 3.700 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@H](C(F)(F)F)CC[C@H]2C)n1 1339649435 PEEXQEDJKDKEAB-VXGBXAGGSA-N 297.324 3.737 30 20 CHED C#CC[C@H](C)OC(=O)c1sc(C)nc1-c1ccccc1 1342562402 ODXPAJMEIRHWAR-NSHDSACASA-N 285.368 3.687 30 20 CHED Clc1ccccc1CNN=C1CCOc2ccccc21 1345053240 HFTMHVPHHSORDI-UHFFFAOYSA-N 286.762 3.616 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NC1(C(F)(F)F)CCC1 1345303143 JVIWLAHQRKCJRS-LLVKDONJSA-N 290.329 3.612 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1ccccc1 1346250065 FCCBYWJCLFCSGM-MRXNPFEDSA-N 257.377 3.952 30 20 CHED CCO[C@H](C(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1 1346719938 IRZBLFFURFTHQY-HOTGVXAUSA-N 299.326 3.555 30 20 CHED C[C@]1(CCNc2cccc(CC#N)n2)CC1(Cl)Cl 1347840388 SWAAEYMJVFZORH-LBPRGKRZSA-N 284.190 3.534 30 20 CHED CC(C)c1cccc(C(=O)Nc2cccc(C#N)c2)c1 1349165442 MJVIOORGOCNADV-UHFFFAOYSA-N 264.328 3.934 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1Cc1cccc(OC)c1 1357811221 HHUYPVVTIATYRP-MRXNPFEDSA-N 287.403 3.585 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1cccc(C#N)c1C 1457712872 IJCOWSZVDXQQDU-CQSZACIVSA-N 278.355 3.917 30 20 CHED Cc1cccc2nc(NCc3ccc(OCC#N)cc3)oc12 1458156054 HAIPTWUYNRLVHK-UHFFFAOYSA-N 293.326 3.651 30 20 CHED CN(c1ncccc1C#N)[C@@H]1CCC[C@H]1c1ccccc1 1472802925 OGCLRVPCUKWDTA-DLBZAZTESA-N 277.371 3.726 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N(C)[C@@H](C)C#N 1527365967 UAJOGOSRGDTWIG-YOFIQYCBSA-N 290.451 3.990 30 20 CHED CCN(C(=O)c1ccc(OC)c(C)c1)c1ccc(C#N)cc1 1530418375 VYXLCSJOHGHXGI-UHFFFAOYSA-N 294.354 3.542 30 20 CHED CSc1c(F)cccc1NC(=O)c1csc(C#N)c1 1531813183 XYPNTNRCVVFLBF-UHFFFAOYSA-N 292.360 3.733 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCc2ccc(C#N)cc21 1584149271 MMXLLGYAZZBGDF-MRXNPFEDSA-N 284.403 3.910 30 20 CHED Cc1oc2ccccc2c1/C=C/C(=O)c1cc(C(=O)O)co1 1608054582 QCWSPVJGUYPNPW-VOTSOKGWSA-N 296.278 3.929 30 20 CHED Cc1cccc2c1CCCN2CCc1ccc(C#N)cc1 1644598520 JMPAUFDHBYFGMB-UHFFFAOYSA-N 276.383 3.862 30 20 CHED C[C@H]1CC(Nc2c(C#N)cccc2C#N)C[C@H](C)C1 1650775312 YFGJODMSEMFCEA-VXGBXAGGSA-N 253.349 3.667 30 20 CHED CCCN(CCN1CCCCC1)[C@H](C)c1cccc(C#N)c1 1654417706 POIRNPQXYNPFCL-QGZVFWFLSA-N 299.462 3.817 30 20 CHED CC1(C)CCC[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1 1657570931 MTGMKCMTWSDVDE-AWEZNQCLSA-N 285.391 3.896 30 20 CHED N#Cc1ccc(CN(CCCC2CC2)C2CC2)cc1 1657911980 GWRXXNFLWMQAKV-UHFFFAOYSA-N 254.377 3.713 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccc(F)c(C#N)c1 1668716324 NXDJKDGMXRTWKN-QWRGUYRKSA-N 289.354 3.644 30 20 CHED CC(CC1(C(=O)O)CCC1)=NN[C@H](C)C1CCCCC1 1776040231 CFCGCCLLZPTHOJ-CYBMUJFWSA-N 280.412 3.566 30 20 CHED CCC(=NNc1ccc(F)c(C(=O)O)c1)[C@H]1CC1(C)C 1776063629 ZSACOQUDPZPECW-LLVKDONJSA-N 278.327 3.748 30 20 CHED C=C[C@@H](C)ON=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1 1776090625 RLOUZAPRJKEWPG-CYBMUJFWSA-N 295.338 3.977 30 20 CHED Cc1cc(Cl)ccc1NN=Cc1ccc(C(=O)O)cc1 1776104761 XFQPGPSMJNFCJE-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C=CC[C@@H](CNc1cc(C(=O)O)ccn1)c1ccccc1 1776152009 ZGEGSIMAFQZCEB-HNNXBMFYSA-N 282.343 3.552 30 20 CHED CC1(C)CCC/C(=C\c2cc3[nH]c(C(=O)O)cc3o2)C1=O 1776550930 NWVMTXULJRTNCG-RMKNXTFCSA-N 287.315 3.622 30 20 CHED Cc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)c1C 260247 KGAOSBYSBWDMJI-UHFFFAOYSA-N 271.360 3.557 30 20 CHED N#Cc1ccc(-c2ccc(OC(=O)C3CC3)cc2)cc1 6372280 UAFURXCYMYWJBP-UHFFFAOYSA-N 263.296 3.541 30 20 CHED COc1ccc(CN(Cc2ccccc2C#N)C2CC2)cc1 7662276 PBVIJQNJULYOMX-UHFFFAOYSA-N 292.382 3.731 30 20 CHED CCCCCCCCNC(=O)C(C#N)(CC)CC 106001138 UXZMTBBEBWMQSD-UHFFFAOYSA-N 252.402 3.793 30 20 CHED C=C(C)CCOC(=O)Cc1c(C)[nH]c2ccccc12 174794827 SMJTZPHLCLRCFQ-UHFFFAOYSA-N 257.333 3.528 30 20 CHED N#C[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)C1CCCCC1 176627380 VPJROAODJBDVJD-MRXNPFEDSA-N 299.349 3.509 30 20 CHED CCc1cccc(CC)c1NC(=O)N(C)[C@H](C)CC#N 119906414 UWEMJDFVDSTJIK-GFCCVEGCSA-N 273.380 3.577 30 20 CHED C=CCCC(=O)Nc1nnc(-c2cccc3ccccc23)[nH]1 102467999 XCPKVTMDDXIWFZ-UHFFFAOYSA-N 292.342 3.530 30 20 CHED CCS[C@@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 176982840 QJHFVNXCLZYHOJ-NWDGAFQWSA-N 280.462 3.774 30 20 CHED CCCC[C@@H](CC)C(=O)N1CCc2c(C#N)cccc21 421653263 XSUZYNKYHREAQQ-CYBMUJFWSA-N 270.376 3.664 30 20 CHED C=CCCC(=O)Nc1scc(C2CC2)c1C(=O)OCC 60364720 BTXMSBDRPGDEKG-UHFFFAOYSA-N 293.388 3.707 30 20 CHED N#Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1F 307954762 DMRCATORJXDHOJ-UHFFFAOYSA-N 280.258 3.696 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1cccc(Cl)c1 60791579 RIEXOROQTQNZCI-LBPRGKRZSA-N 281.783 3.532 30 20 CHED C=C(C)CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 351859544 XCZMWJHDKWRRQO-OAHLLOKOSA-N 273.376 3.561 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 181555868 FDAZAFVRVZSRCI-MRXNPFEDSA-N 296.414 3.940 30 20 CHED C=C(Br)CNCc1ccc(C(F)(F)F)cc1 61626820 QNYDZSXMIDMVBK-UHFFFAOYSA-N 294.114 3.704 30 20 CHED C=CC[C@@H](C(=O)NC1CCCCC1)c1ccccc1 189366220 UCNDAMJQKCHULV-MRXNPFEDSA-N 257.377 3.795 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)[C@H](C)c1ccccc1 177200244 MODLZBPJSCOHRK-GJZGRUSLSA-N 284.403 3.769 30 20 CHED N#Cc1ccc(NCc2ccccc2O)c(C(F)(F)F)c1 36973638 JPXNFJMUEKTQOY-UHFFFAOYSA-N 292.260 3.895 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1ccc(C#N)cc1 35018941 AZYJVYXCKFAXFP-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)CCc1cccc(F)c1 173424947 NEUDBSWQVRNYOU-AWEZNQCLSA-N 277.383 3.819 30 20 CHED C=C[C@@](C)(CCOC)c1nc(C2CCCCC2)no1 188018086 YKRXPSQGUZVYIS-HNNXBMFYSA-N 264.369 3.598 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Nc2ccc3[nH]ccc3c2)c1 302223285 UCQKHBWRGSKNJU-UHFFFAOYSA-N 278.271 3.691 30 20 CHED C=CCCCC(=O)N1CCSC2(CCCCC2)C1 176514206 UGDHTKUOMMTTNC-UHFFFAOYSA-N 267.438 3.621 30 20 CHED N#Cc1cccc(C#N)c1NC[C@@H]1CCc2ccccc2C1 302905688 WAXYYGOLHUHEIP-CQSZACIVSA-N 287.366 3.647 30 20 CHED C#CCCCCC(=O)Nc1cc(C(C)(C)C)ccc1O 180440035 WLNNFZXUYMQEND-UHFFFAOYSA-N 273.376 3.822 30 20 CHED C=CCN(C)CC(=O)Nc1ccccc1Oc1ccccc1 121477074 YYGNWTQQUHRCBR-UHFFFAOYSA-N 296.370 3.535 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC2CCC(OC)CC2)c1 129145674 PWZVSJRYCLJPCS-UHFFFAOYSA-N 299.414 3.616 30 20 CHED Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CCCC#N)n1 128892878 GDACDFSDGHENMO-UHFFFAOYSA-N 295.173 3.864 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1F 76826489 IHVZVXNHIFOVEI-LSDHHAIUSA-N 298.292 3.579 30 20 CHED C=CCN(Cc1ccccc1Br)C1CC1 73653275 YKYBJCWSBNOENC-UHFFFAOYSA-N 266.182 3.600 30 20 CHED C=C(C)[C@H](NC[C@@H](C#N)CCC#N)c1ccc(F)c(F)c1 187769438 ZUOUTHKKPHWCQN-WBMJQRKESA-N 289.329 3.615 30 20 CHED C#CCCCNC(=O)Nc1cccnc1-c1csc(C)c1 189182032 FZLLYDYONCYHSF-UHFFFAOYSA-N 299.399 3.653 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](CC)c1ccccc1 189945517 ZKOTVEBEKJEPSK-RHSMWYFYSA-N 259.393 3.899 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(N2CCCCC2)cc1 316040610 IGKAQNQQVXNVRJ-UHFFFAOYSA-N 299.418 3.945 30 20 CHED C[C@@H](NCC[C@](C)(O)c1ccccc1)c1cccc(C#N)c1 187893372 LWWCVSPYSGOKLN-BEFAXECRSA-N 294.398 3.507 30 20 CHED CC#CCNc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 182308532 FPJAKEDPPDARKL-ZDUSSCGKSA-N 288.391 3.708 30 20 CHED COc1ccccc1CCCNc1ccc(F)c(C#N)c1 502645997 DLHXHORPCOYMOY-UHFFFAOYSA-N 284.334 3.751 30 20 CHED Cc1cc(Cl)cc(C)c1CN1CCC(C#N)CC1 123670278 HJMUZMNBKDYQKK-UHFFFAOYSA-N 262.784 3.692 30 20 CHED C=CCCCCCn1cc(-c2ccc(C)o2)ncc1=O 419086897 GVNRUBDLCJDKTI-UHFFFAOYSA-N 272.348 3.558 30 20 CHED CCN(CCCSCC#N)[C@H](C)c1cccc(OC)c1 74982132 NFWKGJCIFWEXLS-CQSZACIVSA-N 292.448 3.725 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(Cl)c1F 187911560 MDHNIWFTOONNKK-CQSZACIVSA-N 285.746 3.646 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1oc2ccccc2c1CC 410834690 LEWGQRUNQNOVTH-LBPRGKRZSA-N 284.359 3.759 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2ccccc2O[C@@H](C)C#N)C1 182038357 AAVGFHAXNHTTBO-IHRRRGAJSA-N 286.375 3.742 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c2ccccc12 411620296 YLCRCRIQIQWTAA-CYBMUJFWSA-N 280.371 3.770 30 20 CHED N#C[C@H](C(=O)c1ccc(F)cc1)c1ccc2ccccc2n1 47376048 XWMWWLOLLQIGBV-HNNXBMFYSA-N 290.297 3.864 30 20 CHED C=CCOCCCC(=O)N(Cc1ccco1)c1ccccc1 80000523 LMRQOIIYGSJDGP-UHFFFAOYSA-N 299.370 3.796 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1C[C@H]2CCCC[C@H]2C1 414521521 CBGVBXGUQZSSKH-SOUVJXGZSA-N 288.439 3.604 30 20 CHED C=C(C)CCc1noc(C[C@@H]2CCO[C@@H](C(C)C)C2)n1 508663742 HQXKAIXGMZGKDB-ZIAGYGMSSA-N 278.396 3.572 30 20 CHED Cc1cnc(C/N=C(/O)c2coc(C3CCCCC3)n2)o1 328713050 BVPYQMVRPJXMBF-UHFFFAOYSA-N 289.335 3.524 30 20 CHED C=CCC(C)(C)CN[C@H]1CCc2cccnc2CC1 421864834 YXJOGVNWLLZFSY-HNNXBMFYSA-N 258.409 3.521 30 20 CHED N#CCCSCc1cccc(CN2CCCCC2)c1 139290289 XVXPVFSFEILNCI-UHFFFAOYSA-N 274.433 3.819 30 20 CHED N#Cc1cccnc1N1CCC(=Cc2cccc(F)c2)CC1 42740261 BFPSKLFUQMJMRY-UHFFFAOYSA-N 293.345 3.776 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(F)c(C#N)c1 229748232 MGJGAOMNACSAIJ-MLGOLLRUSA-N 260.356 3.708 30 20 CHED C=C(C)CCN[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC 518740724 OFIOOZOMYBQXIC-KZNAEPCWSA-N 273.420 3.894 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cccc(CSC)c1 424789780 ATRPBRHPWJMTED-UHFFFAOYSA-N 277.433 3.768 30 20 CHED C=C(C)CN(CC)Cc1ccc(F)c(Br)c1 615340109 YMQCIUXXMXNFPH-UHFFFAOYSA-N 286.188 3.986 30 20 CHED Cn1ccc2ccc(NCc3ccc(C#N)cc3F)cc21 190612205 IIYYYPWIQYKFHQ-UHFFFAOYSA-N 279.318 3.801 30 20 CHED Cc1nc(CCNc2ccc(Cl)cc2C#N)cs1 221702190 WMTGLASPGBPQEJ-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 519801254 DIJVOWRLWACTSZ-UNEWFSDZSA-N 276.424 3.791 30 20 CHED Cn1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)cc1C#N 190950394 YLEBAZYAZSMIPJ-SFHVURJKSA-N 297.377 3.667 30 20 CHED CCOc1cc(F)ccc1NCc1ccc(C#N)cc1F 98127559 BVAPRARXWCBURZ-UHFFFAOYSA-N 288.297 3.847 30 20 CHED CCCC1(/C(O)=N/[C@@H]2CCCc3c[nH]nc32)CCC1 330148636 JOZMFEBDUGOVAB-GFCCVEGCSA-N 261.369 3.714 30 20 CHED C=C[C@H](CC(=O)N1CCSCC[C@@H]1C)c1ccccc1 190082849 FISHCQXVJNSNPD-LSDHHAIUSA-N 289.444 3.700 30 20 CHED COc1ccc(C[C@H](C)Nc2cccc(C#N)c2)cc1OC 237237934 ILGZBZSJGKFYDM-ZDUSSCGKSA-N 296.370 3.619 30 20 CHED C#CCCOc1ccc(CN[C@H](C)[C@@H](C)CC)cc1 237032629 GUDRVUNXXHNTBS-LSDHHAIUSA-N 259.393 3.613 30 20 CHED C=C[C@@H](CC(=O)NCc1cc(C)nc(C)c1)c1ccccc1 421581806 ZEAMSSOIADQGIT-KRWDZBQOSA-N 294.398 3.675 30 20 CHED N#Cc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 337916023 QCKNXXSCBZNZRO-UHFFFAOYSA-N 293.351 3.901 30 20 CHED O/C(=N/C[C@H]1CCC2(CCCCC2)O1)C1(O)CCCCC1 330159010 QGVYQGSZQHDVGN-CQSZACIVSA-N 295.423 3.520 30 20 CHED N#CCC1CCN(C(=O)Nc2ccsc2Cl)CC1 335874973 RHPBPBULUNQLSB-UHFFFAOYSA-N 283.784 3.559 30 20 CHED C=CCC[C@H](NCc1noc2ccccc12)C1CC1 515311661 RKQVLQDHGASWLI-AWEZNQCLSA-N 256.349 3.662 30 20 CHED Cc1coc(C)c1C(=O)N[C@@H](C#N)c1ccccc1Cl 335913031 BUALJDMWIXNCMB-ZDUSSCGKSA-N 288.734 3.545 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 516853988 ASRGCMXWKHSZLD-OCCSQVGLSA-N 298.777 3.750 30 20 CHED Cc1nc(S[C@@H]2CC[C@@H](C#N)C2)c2ccccc2n1 334624957 RPHSEUTUYRVFDV-VXGBXAGGSA-N 269.373 3.723 30 20 CHED CC(C)(C)C1=CCN(Cc2ccc(C#N)cc2F)CC1 536168298 ACTRNPGNTPGKRB-UHFFFAOYSA-N 272.367 3.876 30 20 CHED Cc1nnccc1N=C(O)N[C@H]1CCCC[C@@H]1C(C)(C)C 330156353 OPCLEKNOFBKNPU-JSGCOSHPSA-N 290.411 3.525 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1c(Cl)cccc1[N+](=O)[O-] 432147507 HIANHDAJAOZBGU-IINYFYTJSA-N 296.754 3.641 30 20 CHED Cc1cc(/C(O)=N/CC(C)(C)C#N)c(C)n1C(C)C 330841728 WRPKAQYGFQMBHM-UHFFFAOYSA-N 261.369 3.540 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCc1ccc(N(C)CCC#N)cc1 237384165 ANEIZXWWDSAOBB-JTDSTZFVSA-N 299.462 3.951 30 20 CHED C=C(C)COc1cc(CN[C@H]2C=CCCC2)ccc1OC 237146493 IPYPBBREGJVTNJ-INIZCTEOSA-N 287.403 3.848 30 20 CHED C=CCCSCC(=O)N(C1CCC(C)CC1)C1CC1 339092596 VONLUAYPKZQGQR-UHFFFAOYSA-N 281.465 3.865 30 20 CHED CC(C)Oc1cc(/C(O)=N/[C@]2(C)CC=CCC2)ccn1 331361299 YWAYLOXXYDURDE-MRXNPFEDSA-N 274.364 3.672 30 20 CHED CC(C)n1cc([C@H](C)Nc2ccc(C#N)cc2)cn1 522181760 LZTNHNOVEXUZLS-LBPRGKRZSA-N 254.337 3.509 30 20 CHED C=CCC1(C(=O)N(C)Cc2cc(F)cc(F)c2)CCC1 347219617 IMEFAPVTYJVQBC-UHFFFAOYSA-N 279.330 3.670 30 20 CHED N#Cc1ccccc1CN1CCC[C@@H]1Cc1ccc(F)cc1 604016874 KKHDOCOLZIBYRK-LJQANCHMSA-N 294.373 3.904 30 20 CHED C=CCN(CCC#N)Cc1c(Cl)cccc1CC 430105892 LXQHFESDNZPXFL-UHFFFAOYSA-N 262.784 3.804 30 20 CHED C=CCCN(C)C(=O)c1csc2c1CC[C@H](C)C2 341977806 ADQJCGNRZOKONT-NSHDSACASA-N 263.406 3.521 30 20 CHED COc1cc(-c2noc(CCCCCC#N)n2)ccc1F 349976365 WIFLODVRNPHVEI-UHFFFAOYSA-N 289.310 3.511 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(C(F)(F)F)cc1 540396550 JNNQAOZXQXHFOD-NEPJUHHUSA-N 287.325 3.541 30 20 CHED CN(C(=O)C[C@H]1C[C@H]1c1ccccc1)c1ccccc1C#N 341489705 RDYKLVNJRMEORX-SJORKVTESA-N 290.366 3.715 30 20 CHED C[C@H](CCC#N)CNCc1ccc(C2CCC2)cc1 602635101 PIWSWEKXUBAXEX-CQSZACIVSA-N 256.393 3.984 30 20 CHED C[C@@H](CCC#N)CN(Cc1cccc(O)c1)CC1CC1 602455117 QKVVXRVSDMXXFX-AWEZNQCLSA-N 272.392 3.544 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2F)cc1F 255521628 GIAFVAGJWDBRQL-VURMDHGXSA-N 274.266 3.870 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccccc1SCC 341886023 MHUYOVKWKQCBGN-KGLIPLIRSA-N 279.449 3.634 30 20 CHED C=CC1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 600417954 LCYHPAQGQMPYIY-UHFFFAOYSA-N 288.778 3.860 30 20 CHED C=CCCOCC(=O)N1CCCC[C@H]1c1ccc(C)cc1 607529803 HRFFQNCUXPWMBF-KRWDZBQOSA-N 287.403 3.641 30 20 CHED C=CC(C)(C)CNC1CCN([C@H]2CCC[C@@H](C)C2)CC1 449487355 YHKFGXYEKLOQDP-WBVHZDCISA-N 278.484 3.831 30 20 CHED CCCc1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)s1 602314719 FHABNSWVNXBRDV-UHFFFAOYSA-N 288.416 3.751 30 20 CHED Oc1nc2ccccc2cc1/C=N\Cc1ccccc1 255006601 LLAHSLUQTPVWHI-PDGQHHTCSA-N 262.312 3.560 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CC1CCC1)c1ccccc1 352252693 UEXXRZMHGGNQKN-BBRMVZONSA-N 272.392 3.792 30 20 CHED CC[C@H](C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 603529847 NAAGZQPZLCZNET-ZDUSSCGKSA-N 258.365 3.593 30 20 CHED C=CCC1(C(=O)N(C)CCc2ccccc2)CCCC1 449432294 GSRCQPSXMRARGN-UHFFFAOYSA-N 271.404 3.824 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCc2ccc(C)cc21)C1CC1 358922413 LDVYFIFCJOJQLC-QGZVFWFLSA-N 284.403 3.732 30 20 CHED CC(C)N(C)CC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 609823503 LTRVLPVGVUTYDY-INIZCTEOSA-N 299.462 3.671 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)C(CC)CC 535588702 YJOHQFZEWGKZGK-LBPRGKRZSA-N 288.391 3.968 30 20 CHED CCC1(CC)CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 353555828 DUCUZSHMPWDWFL-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cnccc1C 352899161 BSSZTICGIGIUJL-UHFFFAOYSA-N 298.434 3.746 30 20 CHED CC(C)N(Cc1ccc(F)cc1)C[C@@H](C)CCC#N 602437924 AKCOLIDAVPEJCY-AWEZNQCLSA-N 262.372 3.976 30 20 CHED N#Cc1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 446146764 XHQXTISNOINGEH-UHFFFAOYSA-N 288.232 3.515 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2cccc(OC)c2)CC1 354320702 UAACNXAPCQGWKV-ZDUSSCGKSA-N 273.376 3.619 30 20 CHED N#C[C@@H]1N(CCC2CCCCC2)CCC[C@@]12CCCCO2 447916409 VFIFRJZUHQRUED-ROUUACIJSA-N 290.451 3.884 30 20 CHED C=CC[C@H]1N(Cc2csc(COC)n2)CCCC1(C)C 444788321 UIFHHHIVJVOQOZ-CQSZACIVSA-N 294.464 3.856 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1ccccc1C(F)(F)F 539359994 WDFRZWXNXZMHEN-NEPJUHHUSA-N 287.325 3.683 30 20 CHED CCCC[C@H](CC)CNC(=O)N1CCC[C@@](C)(C#N)C1 612098139 DYUNULUYXRLMHN-HOCLYGCPSA-N 279.428 3.538 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 614222569 AZZLQOQKGRYQIL-NVXWUHKLSA-N 288.366 3.755 30 20 CHED Cc1csc(-c2ccc(NC(=O)[C@@]3(C#N)C[C@H]3C)cc2)n1 448858914 COGSIXDHOFEPMT-QLJPJBMISA-N 297.383 3.607 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1sccc1C#N 354870860 USWGLFNCAJYFEW-GFCCVEGCSA-N 284.384 3.728 30 20 CHED C[C@H](COCC(F)(F)F)Nc1ccc(C#N)c(Cl)c1 264690363 NJHJDKCQWVLAFM-MRVPVSSYSA-N 292.688 3.591 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CC(=O)c2cccs2)CCC1 358178796 FCFYGMORDFAKLW-LBPRGKRZSA-N 291.416 3.572 30 20 CHED Cc1c(Cl)cnc(N2C3CCCC2CCC3)c1C#N 612085752 OSICPGAAMUIHKC-UHFFFAOYSA-N 275.783 3.827 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] 357661269 NDWKBIJBULZHEH-HUUCEWRRSA-N 297.289 3.574 30 20 CHED C=CCCCCNC(=O)NCc1coc2ccccc12 351686215 PZLAZSKCKGNGET-UHFFFAOYSA-N 272.348 3.588 30 20 CHED C=CCC1(C(=O)NCCCNc2ccccc2)CCCC1 449840330 GQMRQNFKZLSABV-UHFFFAOYSA-N 286.419 3.741 30 20 CHED Cn1nc(CNc2ccc(Cl)cc2C#N)c2ccccc21 612667048 WPEVOJWICUBOAW-UHFFFAOYSA-N 296.761 3.710 30 20 CHED Cc1cc(COc2ccc([C@@H]3CCOC3)cc2)ccc1C#N 447405004 MZAXPMRBIVMUJC-GOSISDBHSA-N 293.366 3.950 30 20 CHED N#Cc1cccc(C(=O)NCc2ccc3sccc3c2)c1 355394239 LLHGVNYLBJTAJQ-UHFFFAOYSA-N 292.363 3.703 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)C[C@H]1C 455910152 TXQXCVWDVIXJOZ-XJKCOSOUSA-N 285.391 3.699 30 20 CHED C=C(CNC(=O)c1ccc(C)nc1C(C)C)c1ccccc1 452005202 LSNOTFIKHSCDNC-UHFFFAOYSA-N 294.398 3.957 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccccc1C#N 611554031 BUPBXLBRSQEWAQ-RISCZKNCSA-N 282.309 3.721 30 20 CHED C=CCC1(C(=O)N=c2cc(C)n([C@@H](C)CC)[nH]2)CCCC1 450420599 QZGQXGXVFYXQLY-ZDUSSCGKSA-N 289.423 3.659 30 20 CHED C=CCCCC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 362871027 KARZZZQCOHPPBG-LLVKDONJSA-N 299.823 3.658 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCC3(CCCCC3)O2)C1 618578021 XJWDVOWAKGNGJV-OAGGEKHMSA-N 276.424 3.540 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)COc2c(F)cccc21 367008307 XQAPYEDRCOUCCG-QPJJXVBHSA-N 295.722 3.594 30 20 CHED C=CC(C)(C)C(=O)NCc1cc(C2CC2)ccc1F 452305197 OTMUHKQYPPWRPD-UHFFFAOYSA-N 261.340 3.532 30 20 CHED C=CCC1(NC(=O)[C@H]2CCN(c3ccccc3)C2)CCCC1 619110051 CVYOJWBYJMUMTF-INIZCTEOSA-N 298.430 3.518 30 20 CHED Cc1ccc2c(c1)CN(Cc1cn3ccccc3c1C#N)C2 361601370 JJYUINBFPLWPIC-UHFFFAOYSA-N 287.366 3.635 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C1/CC[C@@H](C)C1 272672665 KPBBAXTWOJQVPU-IJEMZBSNSA-N 284.359 3.662 30 20 CHED N#CCCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 273005687 IFIVROQNQNWKBO-UHFFFAOYSA-N 296.395 3.547 30 20 CHED N#Cc1c(C2CC2)n[nH]c1NCc1cccc(C(F)F)c1 279938561 XDXNBJNMEBFHAA-UHFFFAOYSA-N 288.301 3.708 30 20 CHED Cc1ncsc1CCSCc1ccc(C#N)cc1 278672906 XZRSTUPDZNZCAA-UHFFFAOYSA-N 274.414 3.799 30 20 CHED Cc1oc2ccccc2c1CC(=O)Nc1cccc(C#N)c1 362229012 AQGMMJGRNPLQRX-UHFFFAOYSA-N 290.322 3.794 30 20 CHED C=CCC1(C(=O)NCCSC(C)C)CCCCC1 451735175 MDQRHJRYZVTBAD-UHFFFAOYSA-N 269.454 3.771 30 20 CHED N#Cc1cccnc1N[C@@H](c1ccccc1)c1cccnc1 360221746 GZIGBUGQQXJETJ-KRWDZBQOSA-N 286.338 3.550 30 20 CHED CC(C)N(Cc1ccc(Cl)cc1C#N)CC1CC1 547830293 CORCEEHUTNWUIC-UHFFFAOYSA-N 262.784 3.832 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@]2(C)CC=CCC2)cc1 451884807 DPQRYAXVZRTOOP-SFHVURJKSA-N 285.387 3.614 30 20 CHED N#CCCCN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 277743014 IEEBMOZYMXAVRI-LLVKDONJSA-N 294.679 3.976 30 20 CHED CC(C)c1ccccc1NC(=O)NCC#Cc1ccccc1 547502636 XXJJCUMAXOELBZ-UHFFFAOYSA-N 292.382 3.983 30 20 CHED C=C(CC)CNC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 455519026 HGCNHARFYZRRDQ-LLVKDONJSA-N 294.345 3.560 30 20 CHED C=C(C)CCNC(=O)c1oc2c(C)cccc2c1C 452721659 IARRWOIQOMUQSV-UHFFFAOYSA-N 257.333 3.746 30 20 CHED COc1ccc(C[C@@H](C)CNCC(C)(C)CC#N)cc1F 459732044 OFJVNZGJQVINMT-CYBMUJFWSA-N 292.398 3.542 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(Cl)cc1OC 542854766 TXWHQWGDBFQSRY-CYBMUJFWSA-N 296.798 3.503 30 20 CHED C[C@@H](c1noc(Cc2ccc(C#N)cc2)n1)c1cccs1 547167895 LIOGIRLPNTXOLF-LLVKDONJSA-N 295.367 3.745 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](CC)c1ccccc1)OCC 270050473 QZTAOQXFCOBUFS-HZPDHXFCSA-N 275.392 3.625 30 20 CHED CC#CCCCC(=O)N1CCCc2cc(Cl)cc(F)c21 466867778 NCQLYEHOGRDQFM-UHFFFAOYSA-N 293.769 3.952 30 20 CHED CCc1ccccc1CNC(=O)c1ccc(Cl)c(C#N)c1 540882484 WZTPJBGYHQDVND-UHFFFAOYSA-N 298.773 3.704 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(OC)cc2C)no1 624734075 WTBYVNGNDFUZIQ-UHFFFAOYSA-N 258.321 3.517 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](CCc1ccccc1)C(F)F 628761632 IWEJPGRSIHTUAI-YOEHRIQHSA-N 295.373 3.971 30 20 CHED CC[C@H](C(=O)Nc1cc(CC#N)ccn1)C1CCC(C)CC1 546597726 BAQAEOXFLZYGKR-BCLQGDPASA-N 299.418 3.939 30 20 CHED CC(C)C[C@@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 543833437 LWSPUEXNYGFAOS-GOSISDBHSA-N 298.430 3.969 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccccc1OC(F)F 620858810 PVLFELKMNHMPMY-UHFFFAOYSA-N 297.345 3.692 30 20 CHED Cc1ccnc2ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc12 289351308 XZGXKQGWEAZZBL-GOSISDBHSA-N 295.386 3.601 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nnc(-c2ccccc2)s1 467854891 WMSFPMQRQBUFSE-HNNXBMFYSA-N 287.388 3.746 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 466390779 DKDLWSNBZAIYQC-OIISXLGYSA-N 286.419 3.929 30 20 CHED CCc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1 282814245 UOIAPDNPPFIRSR-UHFFFAOYSA-N 285.391 3.700 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OCCC)c(OC)c1 627138201 GCNGBWVNKPNXMG-UHFFFAOYSA-N 292.379 3.572 30 20 CHED CC#CCN(C)Cc1csc(Nc2ccc(C)cc2)n1 555752404 BFUXOWDBXWVBFW-UHFFFAOYSA-N 285.416 3.650 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ncsc1C(C)C 289971172 UWJSEHDGWAEVGG-UHFFFAOYSA-N 267.398 3.696 30 20 CHED CC#CC(=O)Nc1cc(Cl)ccc1OC1CCCC1 283737531 GKMAIUSQGYZPEF-UHFFFAOYSA-N 277.751 3.623 30 20 CHED C=CC[C@@H](CC)NC/C=C/c1ccc(F)cc1F 466387132 TUKLPZANDMWROK-HZRUHFOJSA-N 251.320 3.922 30 20 CHED CCC[C@H](C)CC(=O)N[C@](C)(C#N)C1CCCCC1 559594423 BQZAACJFGXGBPN-XJKSGUPXSA-N 264.413 3.791 30 20 CHED C=CC1CCN(C(=O)Nc2cscc2Cl)CC1 630348933 PBHWTVIVHFTLMF-UHFFFAOYSA-N 270.785 3.831 30 20 CHED CC(C)C1CCC(NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 462237432 KTDTZHTZVYCQMB-NXVRBGIVSA-N 298.430 3.993 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1ccc(C)cc1C 466526351 JMOKSBSPNFSUOJ-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC(C)C)C1CCCC1 466402413 VXWTTWXEPUTWPB-CQSZACIVSA-N 266.429 3.951 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(OCCC)c1 466322828 RRUFPXDOVSFVTH-CYBMUJFWSA-N 276.380 3.952 30 20 CHED CCC(CC)C(=O)N(C)c1cc(Cl)ccc1C#N 464265159 XCTBFIUDFCQSRQ-UHFFFAOYSA-N 264.756 3.611 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2coc3ccccc23)C1 552200285 KVCFSPNLSCVGEB-FZKQIMNGSA-N 296.370 3.564 30 20 CHED C=CCCCCCCNC(=O)CCc1c(C)noc1Cl 287087150 OOQXSQAIOBSURF-UHFFFAOYSA-N 298.814 3.822 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)C1CCC(CC)CC1 460935295 NFOZPBNABNNXLZ-UHFFFAOYSA-N 276.428 3.568 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 285242981 ZBKSXKJPCSIGBL-INIZCTEOSA-N 291.370 3.549 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 465248630 AUUHUAPHSSKTNW-SSDOTTSWSA-N 289.162 3.698 30 20 CHED CC[C@]1(C)CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462198310 YPOIRUKVKHQQDR-KBXCAEBGSA-N 284.403 3.700 30 20 CHED C=CCC(C)(C)C(=O)N(CC)Cc1c(F)cccc1F 555708307 LSBORAHRNLHIGJ-UHFFFAOYSA-N 281.346 3.916 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H](C)C1 559012029 IGVIPGMSCUYVAU-ZIAGYGMSSA-N 290.455 3.535 30 20 CHED C=CCC(C)(C)C(=O)NCCCCOc1ccc(F)cc1 292292721 PKYRTZKQLGNJSZ-UHFFFAOYSA-N 293.382 3.703 30 20 CHED C=CCC[C@@H](O)CN1CCCCC[C@@H]1c1ccc(C)o1 472588943 LMHMDJFGQCWDCB-HZPDHXFCSA-N 277.408 3.832 30 20 CHED C=CCOCCSc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 292541001 BENBHOOEEJAOIH-GXTWGEPZSA-N 295.452 3.632 30 20 CHED CCOC1(C)CCN(CC#Cc2cccc(Cl)c2)CC1 298246405 JURFYQZOOJBRTM-UHFFFAOYSA-N 291.822 3.583 30 20 CHED C=CCC[C@@H](O)CNC1(c2cccc(C)c2)CCCC1 472656595 RGSZBHPQBSJFSU-QGZVFWFLSA-N 273.420 3.681 30 20 CHED C=CC[C@H](C(=O)N1CCC(CF)CC1)c1ccccc1 295515178 AJYAWHUNNGHZAJ-INIZCTEOSA-N 275.367 3.554 30 20 CHED CCOc1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1 806580045 ZARRKHYAYJFQNN-WQLSENKSSA-N 299.757 3.956 30 20 CHED C#C[C@@H](N[C@H](C)COC(C)C)c1ccc(Cl)cc1F 809698795 GETWSLIFUPEZDZ-IAQYHMDHSA-N 283.774 3.557 30 20 CHED COc1c(Cl)cc(NC(=O)CCCC#N)cc1Cl 291771714 VUUHLTMSEGPAHO-UHFFFAOYSA-N 287.146 3.634 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccccc1N1CCCCC1 806115769 RMLYOKGTRGLYGA-HNNXBMFYSA-N 299.418 3.600 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2sccc2Cl)c1 806559199 WLSSMZRWOMWENO-PLNGDYQASA-N 292.743 3.996 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1 291275091 LRPNNNOTLFKTGJ-VXGBXAGGSA-N 289.272 3.711 30 20 CHED C=CCCCCCN(C)C(=O)C[C@@H]1CCC[C@@H](OC)C1 476091008 NGNBEBXMAAETBX-HZPDHXFCSA-N 281.440 3.787 30 20 CHED CN(C(=O)CCCC#N)c1ccc(C(C)(C)C)cc1 291413100 FNJUOJNJZUBXPE-UHFFFAOYSA-N 258.365 3.641 30 20 CHED C#C[C@H](NCc1nc2ccc(F)cc2s1)C(C)(C)C 809781870 CFJPXRPRYMZJBP-ZDUSSCGKSA-N 276.380 3.573 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 294841619 BMEGLJUVPLTJPZ-ZDUSSCGKSA-N 299.336 3.879 30 20 CHED N#CCc1ccccc1NC(=O)c1ccccc1OC1CC1 569646527 AASALQKDMWVGIN-UHFFFAOYSA-N 292.338 3.546 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H](C(C)C)C1 474399498 KEDIPECDQWDIJS-MRXNPFEDSA-N 281.440 3.644 30 20 CHED C[C@@H](C#N)OCCSCC[C@H](C)OCc1ccccc1 802750324 CKKJETDXKIWJRW-GJZGRUSLSA-N 293.432 3.644 30 20 CHED COc1ccc(C=NN[C@@H](C)c2ccccc2)c(C)c1OC 807966796 QTRRMDBHQAWKNZ-AWEZNQCLSA-N 298.386 3.697 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 569199789 ASPXVYLYPDMYFZ-ZBFHGGJFSA-N 297.402 3.909 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)c(F)c(F)c1 566978920 FUJOELXHOMITPL-UHFFFAOYSA-N 257.255 3.645 30 20 CHED CC[C@](C)(C#N)C(=O)N(Cc1cccc(C)c1)CC(C)C 568496693 UMXBKHAKNUXMRU-GOSISDBHSA-N 286.419 3.920 30 20 CHED C=CCC(F)(F)C(=O)NCc1cccc2ccccc12 814933404 NGCVHQPTDNIGGZ-UHFFFAOYSA-N 275.298 3.667 30 20 CHED C#CCON=C(C)CCc1ccc(OC/C=C/C)cc1 812233395 QQEBRJYOIGSMRM-JPEYSZTLSA-N 271.360 3.600 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 814324590 OHQBPBMMUYYIKB-MSOLQXFVSA-N 298.430 3.550 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1c2ccc(F)cc2O[C@H]1C 569154538 KGGZUGQIUQBEBK-ZBEGNZNMSA-N 289.350 3.532 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cc(OC3CCC3)ccn2)no1 568038576 CKSNNOZLAVQFSN-QGZVFWFLSA-N 299.374 3.917 30 20 CHED COc1cccc(O)c1/C=N/CCOc1ccc(C)cc1C 812398463 QVPDRLPFYIWZNR-XDHOZWIPSA-N 299.370 3.516 30 20 CHED CCCCCC(C)=Nn1c(S)nnc1-c1ccco1 818235818 GFOHAFPXUHPPMA-UHFFFAOYSA-N 278.381 3.631 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 815880873 WAJKCTWKGMCVOL-CQSZACIVSA-N 297.320 3.913 30 20 CHED C[C@@H](NN=Cc1cccc2cc[nH]c12)c1ccccc1 814815570 CBCZDUBRQRFNNL-CYBMUJFWSA-N 263.344 3.853 30 20 CHED CSc1ccc(C=NNc2ccccc2[N+](=O)[O-])s1 814685340 GNAUKDWSQDOYSD-UHFFFAOYSA-N 293.373 3.824 30 20 CHED C[C@@H](CCCC(F)(F)F)NCc1ccc(C#N)cc1F 480202708 UCZBRVOIWZWRKS-JTQLQIEISA-N 288.288 3.908 30 20 CHED CN(Cc1ccc(C#N)cn1)[C@H]1CCC[C@@H]1c1ccccc1 570525087 HDJYAOPBXCBNQL-MOPGFXCFSA-N 291.398 3.721 30 20 CHED CCOc1ccc(NN=Cc2sccc2C)cc1 814984789 IITHBKJNUHKEDG-UHFFFAOYSA-N 260.362 3.901 30 20 CHED CCCCCCCCC(=O)N1CC2(CCNCC2)C[C@@H]1C 818291137 QXCFUIURHZCZEH-INIZCTEOSA-N 294.483 3.728 30 20 CHED COc1cc(NN=C2CC[C@@H](C)C2)ccc1Cl 814919191 HUOMVUGBBIDPKY-SECBINFHSA-N 252.745 3.937 30 20 CHED C[C@@H]1C(=NNc2ccccc2Cl)CC[C@H]1CC(=O)O 814690970 HHKGXJATMOSLFU-UWVGGRQHSA-N 280.755 3.629 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1ccncc1Cl 817327403 IQIHONUTWPKYDC-ZDUSSCGKSA-N 265.788 3.627 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)[C@H]1CC[C@@H](C)C1 571961906 RRUXYQHVHGFIBI-HIFRSBDPSA-N 288.439 3.747 30 20 CHED Fc1ccc(C=NOC/C=C/Cl)c(C(F)(F)F)c1 811668040 JXUSYQWKRAZYHC-VYOGPGGTSA-N 281.636 3.948 30 20 CHED C[C@H]1C(=NNc2ccccc2Cl)CC[C@H]1CC(=O)O 814690972 HHKGXJATMOSLFU-ZJUUUORDSA-N 280.755 3.629 30 20 CHED N#Cc1cc(F)ccc1COC(=O)/C=C/c1cccc(F)c1 728613782 VNQHKZNIXJHQJC-QPJJXVBHSA-N 299.276 3.593 30 20 CHED Cc1cc(CN2CCC[C@H](c3nccs3)C2)ccc1C#N 487912745 GZMJFBKMKFAGAH-INIZCTEOSA-N 297.427 3.703 30 20 CHED CCC[C@H](/N=C/c1ccccc1O)c1ccccn1 729150385 UXZPFCRMVIYKNZ-QCUKBLKESA-N 254.333 3.748 30 20 CHED C=CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1CC)C(C)C 810317676 ZIBOPRNGDQFPEN-UHFFFAOYSA-N 291.351 3.586 30 20 CHED C=CCOC(=O)/C=C\c1ccccc1O[C@H](C)CC 729870428 DHOVXPLSDCAAHR-BSYHEUMXSA-N 260.333 3.606 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(-c2ccccn2)cc1 813304369 WGGLZPBXOKQHTF-UHFFFAOYSA-N 278.355 3.737 30 20 CHED C=CCN(C(=O)NCc1ccc2ccccc2c1)C(C)C 729617697 TXCGYZPHVSFCHS-UHFFFAOYSA-N 282.387 3.946 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)[C@H](c1ccccc1)N(C)C 570671923 BHHPSQMMWKRJEP-FZKQIMNGSA-N 297.377 3.801 30 20 CHED C[C@H](C#N)CN(C)C(=O)C(C)(C)CCCc1ccccc1 494132659 MHKIUCOLASKXIE-OAHLLOKOSA-N 286.419 3.654 30 20 CHED C=CCCC(=O)Nc1ccc(C(=O)OCCCC)cc1 726495601 RVGIPURSMUVQME-UHFFFAOYSA-N 275.348 3.548 30 20 CHED C=C(C)CNC(=O)c1cccc(COc2cccc(F)c2)c1 490073155 PIAPZSXTYNWHAX-UHFFFAOYSA-N 299.345 3.711 30 20 CHED CCCN(CC(C)C)C(=O)Nc1scc(C)c1C#N 576833867 DMHZRESJFVJVOD-UHFFFAOYSA-N 279.409 3.828 30 20 CHED C[C@H](c1ccco1)N(C(=O)c1cc(C#N)ccc1F)C1CC1 823283359 XUNXPKNRBBWBST-LLVKDONJSA-N 298.317 3.656 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 498264681 RDMQUSQKSCPQIE-JKQORVJESA-N 299.414 3.806 30 20 CHED C[C@H]1CCCC1=NNCc1ccc(C(F)(F)F)cc1 729141699 DCNVTXZYLMZNBR-JTQLQIEISA-N 270.298 3.971 30 20 CHED CCC[C@@H](CCc1ccccc1)NC(=O)[C@](C)(C#N)CC 573011519 BSWAVWCAGYBLOT-WMZOPIPTSA-N 286.419 3.844 30 20 CHED C=CCCOC(=O)c1cc2ccc(Br)cc2[nH]1 729072393 ILDUOQSYTXSXGL-UHFFFAOYSA-N 294.148 3.663 30 20 CHED Fc1ccccc1C=NNc1ccc(OC(F)F)cc1 726427445 XMDQLJFIFPRTGM-UHFFFAOYSA-N 280.249 3.873 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N(C)CCC#N 499104896 DTHUYBUNRIPMQY-OAHLLOKOSA-N 264.413 3.745 30 20 CHED C=C(Cl)COC(=O)C[C@@H](C)c1ccccc1F 726840244 AWUHFEWGMXBGGJ-SECBINFHSA-N 256.704 3.615 30 20 CHED C=CCN(C(=O)N[C@H](C)C(C)(C)c1ccccc1)C(C)C 728134393 KWFXTPPSRIOULL-OAHLLOKOSA-N 288.435 3.959 30 20 CHED COc1cc(C#N)ccc1-c1nc([C@H](C)C(C)(C)C)no1 904009500 XBCYOVXJNSUWIZ-JTQLQIEISA-N 285.347 3.766 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H](C3CC3)C2)c1C#N 588855211 ZQXCVKNZEHNHAU-LBPRGKRZSA-N 275.783 3.542 30 20 CHED C#CCSCCNC(=O)[C@H](CC1CCCCC1)C(C)C 739824925 DHMJKDNKWQQLDZ-MRXNPFEDSA-N 295.492 3.712 30 20 CHED CC/C(C)=C\C(=O)N(CCC#N)CC(CC)CC 823124272 LRPAWJLEFOMWQD-QBFSEMIESA-N 250.386 3.521 30 20 CHED Fc1cccc(F)c1NN=Cc1c[nH]c2ccccc12 735615033 IIMSKGIGSLXYOZ-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ccc(C(=O)O)cc2)o1 732762518 IKFIANMZAWQGPG-IINYFYTJSA-N 284.315 3.547 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1sc(C)nc1C 730148318 QJTSSQFJUYPJNQ-UHFFFAOYSA-N 296.399 3.566 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C#CC(C)(C)C)o1 837447996 WKJDZBFERFBRCC-DZGCQCFKSA-N 287.403 3.937 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)Cc2cccs2)C1 660327879 FMHPSQRJAQADFL-KBPBESRZSA-N 292.448 3.677 30 20 CHED C=CCCC[C@@H](NCc1ccc(Cl)c(C)c1)C(=O)O 900069057 ULFOTMXWNNVTTG-CQSZACIVSA-N 281.783 3.548 30 20 CHED CCn1cc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cn1 732528808 ZOHOBNMWLDFGCO-AWEZNQCLSA-N 284.407 3.711 30 20 CHED CC(C)c1ccoc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 585748814 HHQBUXXIDKGIDI-MRXNPFEDSA-N 294.354 3.692 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)CCCCCC#N)CC2 588157319 DPRRJRVDDDPJIT-INIZCTEOSA-N 270.376 3.573 30 20 CHED CCn1cc(C(=O)/C=C/c2ccccc2OCC(C)C)cn1 834420430 HQKZGMBJIUHGLE-MDZDMXLPSA-N 298.386 3.834 30 20 CHED N#Cc1ccc(NC[C@H]2COc3ccccc3C2)cc1Cl 731921574 ZZBBRVKMDLKDRR-LBPRGKRZSA-N 298.773 3.875 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)O[C@@H](C)C(C)(C)C#N 835246427 VTEUOCUXOWZOTE-LBPRGKRZSA-N 274.364 3.609 30 20 CHED C[C@@H](C#N)OCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 839184732 NPJYFTVEARFFAS-WMZOPIPTSA-N 298.430 3.922 30 20 CHED C=CCC1(C(=O)Oc2ccc3nccnc3c2)CCCC1 839310576 AIIMWGRSSMDXOH-UHFFFAOYSA-N 282.343 3.672 30 20 CHED N#CC1(CCCCOC(=O)C2(C#N)CCCCC2)CCC1 908951284 BIITXYOKBQOLAG-UHFFFAOYSA-N 288.391 3.868 30 20 CHED CC[C@H](NCC[C@H]1CCO[C@H](C)C1)c1cccc(C#N)c1 902950095 FURJNDYNHSSQHX-VKJFTORMSA-N 286.419 3.804 30 20 CHED CC1=CC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)CC1 585726477 CUAAFKSOPJYVQP-DOTOQJQBSA-N 252.361 3.634 30 20 CHED C=CCCCCCN(C)c1nc(Cl)c(C(=O)O)s1 736098198 VKEQHYBLCRHMFU-UHFFFAOYSA-N 288.800 3.677 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)C1(c2ccccc2)CCCC1 583225514 BEHYKEQRRVVGGM-IRXDYDNUSA-N 287.447 3.661 30 20 CHED CCCCCCC(=O)COC(=O)[C@]1(C#N)CC12CCCC2 837902044 CUOTVTRFMJMIAT-QGZVFWFLSA-N 291.391 3.543 30 20 CHED CC(C)n1cc(/C=C2\CCOc3ccccc3C2=O)cn1 732714073 KUSXRXVCPCEEPR-NTEUORMPSA-N 282.343 3.513 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C1(C(F)(F)F)CCCCC1 598825253 YTLPSXIXQYQIRM-LLVKDONJSA-N 290.329 3.554 30 20 CHED Cc1cccc2c1C/C(=C/c1cnn(C(C)C)c1)C2=O 732713726 GHXVOEOACRLAPT-AUWJEWJLSA-N 266.344 3.595 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@H]1C(C)(C)C 839892759 ZWSUPLWCYMNQGU-MNOVXSKESA-N 259.340 3.529 30 20 CHED CCC(O)(CC)C(C)(C)CNc1ccc(C#N)cc1 596364934 VPQLNCGTCUBJKB-UHFFFAOYSA-N 260.381 3.547 30 20 CHED C[C@@H](NN=Cc1ccc(Cl)cc1Cl)C(F)(F)F 834995835 BUOCEGSRJSGEBC-ZCFIWIBFSA-N 285.096 3.868 30 20 CHED CC(C)c1ccc2c(c1)CN(c1cccnc1C#N)CC2 596412371 QXWNRRWNCGKFTQ-UHFFFAOYSA-N 277.371 3.639 30 20 CHED CCCCN(C)CC1CCN([C@@H](C#N)c2ccccc2)CC1 595293943 VGWRXIQPFFAQQA-IBGZPJMESA-N 299.462 3.695 30 20 CHED N#CC1(CSc2ccc(-c3ccco3)nn2)CCCC1 917943219 YFUJYZSSGKLQND-UHFFFAOYSA-N 285.372 3.913 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N(C)[C@@H](C#N)CC 594084636 CKJCWCMRYZHHDE-LLVKDONJSA-N 296.823 3.826 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(C(C)(C)C)cc1)C1CC1 598121068 CGHJMDVAXAKCPJ-GFCCVEGCSA-N 270.376 3.501 30 20 CHED CC(=NNCc1cccc2cccnc12)c1cccs1 915959855 SNLRRMTYIMWBHA-UHFFFAOYSA-N 281.384 3.810 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1c[nH]nc1C 918134665 BORASENWJADKII-ZDUSSCGKSA-N 294.443 3.514 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cccc(Cl)c1OC(C)C 844539290 KNSHXZZHVHWIQW-JTQLQIEISA-N 298.770 3.755 30 20 CHED Cc1ccc(C=NNc2ccc(Cl)c(F)c2)o1 747636904 VSHQSNRNQCMGDU-UHFFFAOYSA-N 252.676 3.827 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 743539201 XBGMUDIXIOKPSZ-KTKRTIGZSA-N 297.310 3.890 30 20 CHED COc1cc(C=NNCc2ccccc2)ccc1SC 746486249 ZOZXYGVJXWEABU-UHFFFAOYSA-N 286.400 3.541 30 20 CHED C=CCCOC(=O)[C@H](CC)Oc1ccccc1Cl 749026278 YYOIWLMTIQJIRD-LBPRGKRZSA-N 268.740 3.617 30 20 CHED N#CCCCCOC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 919364901 GKTUPAPMCKOJQY-WDEREUQCSA-N 277.286 3.592 30 20 CHED CCCCCCCCC(=O)N1CCC(CCN(C)C)CC1 918706002 NAKXVIYAWJDVIC-UHFFFAOYSA-N 296.499 3.927 30 20 CHED CCC(CC)C(=O)N1CCC(=NOCC2=CCCC2)CC1 842649048 TZLIXBJMDDOKMH-UHFFFAOYSA-N 292.423 3.528 30 20 CHED C[C@H](OC(=O)c1cc(C(C)(C)C)on1)c1ccc(C#N)cc1 748678837 CEQSBTOTQJXQGN-NSHDSACASA-N 298.342 3.762 30 20 CHED N#CC1(Cc2nc([C@H]3CCCS3)no2)CCCCC1 596588221 WOFCCBUSXSEYIO-LLVKDONJSA-N 277.393 3.654 30 20 CHED CC1(C)CCC(C)(C)c2cc(C(=O)N3CC(C#N)C3)ccc21 590481513 DZKMBDLNWNVYOH-UHFFFAOYSA-N 296.414 3.631 30 20 CHED C#CCN(Cc1cc(-c2ccccc2Cl)on1)C1CC1 842155585 IIGVOXBKYQZLPR-UHFFFAOYSA-N 286.762 3.593 30 20 CHED C=CCCCC(=O)N[C@H](CC)c1ccccc1OC 748295124 IPLQLBSVQSGCNN-CQSZACIVSA-N 261.365 3.619 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2C#N)cc1C 598797276 KFPJFFYFEFQYSP-DLBZAZTESA-N 290.366 3.917 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](CC#N)C2)o1 597173607 KXHIBCOPOLCXSH-IPYPFGDCSA-N 258.365 3.529 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@]1(c2ccccc2)CC1(C)C 596623381 ABCSOJDQXQFVJG-GOSISDBHSA-N 299.418 3.551 30 20 CHED COc1cccc(NN=C(C)c2c(F)cccc2OC)c1 741806672 NDDMJNFOWWRGLL-UHFFFAOYSA-N 288.322 3.679 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cc(OC)ccc2O)cc1 757466949 ASLBRQAYCRTCHZ-POHAHGRESA-N 298.338 3.696 30 20 CHED Cc1ccnc(NN=C[C@H]2CCc3ccccc32)c1 755770670 NYZISYLQANILKJ-CQSZACIVSA-N 251.333 3.518 30 20 CHED CCOc1ccc(C#N)cc1NCCOc1ccc(C)cc1 920402733 QFDIQUYNEKGFKK-UHFFFAOYSA-N 296.370 3.756 30 20 CHED C#CCCOC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 858960362 SUCWGXBOMJDPBQ-KRWDZBQOSA-N 296.370 3.855 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1ccsc1Cl 853118298 JONTVRYXVLTPPX-ZDUSSCGKSA-N 288.796 3.787 30 20 CHED C(=NOCC1CCC1)c1ccccc1OCc1cccnc1 853439453 HKBSFZBXQQSPPE-UHFFFAOYSA-N 296.370 3.811 30 20 CHED C#CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 750390389 UGHMIMHOAUVQQX-UHFFFAOYSA-N 283.154 3.592 30 20 CHED Cc1ncc(CN(C)CCCCC2(C#N)CCC2)s1 929286831 VSRJPAGEFJUJME-UHFFFAOYSA-N 277.437 3.748 30 20 CHED C=CCN(C(=O)c1cc2nc(C)ccc2o1)C(C)(C)C 857651036 PACPYIIIPFNZPF-UHFFFAOYSA-N 272.348 3.563 30 20 CHED COCCON=Cc1ccc(Sc2ccccc2)cc1 753933074 SUKZACLCSQDZQY-UHFFFAOYSA-N 287.384 3.835 30 20 CHED Cc1ccc(O)c([C@H](C)NC2(c3cccc(C#N)c3)CC2)c1 756856736 LCSCDOXROLAWEI-AWEZNQCLSA-N 292.382 3.912 30 20 CHED C#CC[C@@H](NC(=O)N(C)c1ccc(F)cc1)c1ccccc1 757776781 QJAZRGMMRBZOKA-QGZVFWFLSA-N 296.345 3.736 30 20 CHED CC(C)CN(CCC#N)C(=O)CC1(C)CCCCC1 753070554 WOHLNGIDIKJUBR-UHFFFAOYSA-N 264.413 3.745 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N(CCC#N)CC(C)C 858826854 PXDKNLLOVMPMME-MRXNPFEDSA-N 286.419 3.572 30 20 CHED CO[C@]1(C)C[C@@H](Nc2nc3ccccc3cc2C#N)C1(C)C 750030683 VLVGLBQEMSBDEP-CRAIPNDOSA-N 295.386 3.722 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CCC#N)c2ncccc12 935992410 HQJIXYYHCUCRAE-UHFFFAOYSA-N 295.386 3.603 30 20 CHED Cc1cc(C(=O)OCc2cc(F)ccc2C#N)c(C)s1 759352436 UKEDWJGBINKADL-UHFFFAOYSA-N 289.331 3.733 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(Cl)cn1 761891280 YBNXHPZOGXIOGC-UHFFFAOYSA-N 293.729 3.719 30 20 CHED CC(C)=C(C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 769510172 NPFCKMUCUSRLMG-UHFFFAOYSA-N 276.424 3.958 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1nncc2ccccc12 765993045 JKORVNPHEFNRIT-NSHDSACASA-N 268.364 3.854 30 20 CHED Cc1cc(CON=Cc2ccc(C(C)(C)C)cc2)nn1C 767823184 CANOZJJBBSRMLT-UHFFFAOYSA-N 285.391 3.577 30 20 CHED CC(C)N(CCSCc1cccc(C#N)c1)C(C)C 762198320 GFNWCXYCRLBSTL-UHFFFAOYSA-N 276.449 3.910 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CSc2ccccc21 933110338 LGRKCVKEAAEIMZ-YPMHNXCESA-N 261.390 3.552 30 20 CHED C#CCCCCCc1nc([C@H](C)c2cccc(OC)c2)no1 761825246 RWORUTUNQYCCHV-CQSZACIVSA-N 298.386 3.966 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2c(cnn2C(C)C)c1 767091379 KISCUXNIDSJTBQ-UHFFFAOYSA-N 283.375 3.605 30 20 CHED CC(=NNc1ccc(F)c(Cl)c1)C1CCN(C)CC1 863179014 NNOGFZVGUVMGHT-UHFFFAOYSA-N 283.778 3.609 30 20 CHED C#CCCOc1ccccc1OCc1cccc(F)c1 760354763 ZCRGNZFPMMACOR-UHFFFAOYSA-N 270.303 3.807 30 20 CHED N#CCCCCOC(=O)[C@H]1CCCC[C@H]1C(F)(F)F 869600939 QRPIXKCDJYUTMK-WDEREUQCSA-N 277.286 3.592 30 20 CHED COc1cccc(NN=CC2Cc3ccccc3C2)c1 766430943 KPNRELANWLXJBH-UHFFFAOYSA-N 266.344 3.508 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc3c(c1)ncn3C)C2=O 761201542 WBRFDSLUWGGHJI-NVNXTCNLSA-N 288.350 3.704 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(Cl)c2occc12 931329380 RLJKVYRMRFXKNV-SECBINFHSA-N 276.723 3.508 30 20 CHED CC(=NNc1c(C)cccc1F)c1cncc(C)c1 769827535 CLKUSJUSLKPGSA-UHFFFAOYSA-N 257.312 3.674 30 20 CHED C#C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1 767528023 ZKEDJKIADHRXLQ-QYZOEREBSA-N 290.362 3.898 30 20 CHED COCCON=C1CCC(C)(c2ccccc2)CC1 766714392 VJPVQTKYXQZYMS-UHFFFAOYSA-N 261.365 3.537 30 20 CHED CC1(C)CC(=NNCc2ccc(C#N)cc2)c2ccoc2C1 769815877 QOHCYOGYKCRERB-UHFFFAOYSA-N 293.370 3.618 30 20 CHED C=CC[C@H]1N(Cc2ncc(Cl)n2C)CCCC1(C)C 769953382 JYEWSJITASIKJC-GFCCVEGCSA-N 281.831 3.640 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc2[nH]c(C)cc2c1 879968368 NDQJFWBOSMMPIP-UHFFFAOYSA-N 270.376 3.695 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(CN(C)CCCC)CC1 878878547 OAVKCDZGSMFANI-UHFFFAOYSA-N 294.483 3.559 30 20 CHED C[C@@H](C#N)CNN=C1CCCSc2ccc(Cl)cc21 771104491 TYWVGWNJCMBLFV-JTQLQIEISA-N 293.823 3.679 30 20 CHED N#Cc1c(F)cccc1C(=O)OC[C@H]1CCc2ccccc21 778366673 IWPHMHZODXTISR-CYBMUJFWSA-N 295.313 3.584 30 20 CHED Cc1nc(-c2ccsc2)ccc1C(=O)OCC1(C#N)CC1 775856079 XQGXAADICPFYNP-UHFFFAOYSA-N 298.367 3.579 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc(Cl)s1 773164314 ZPRBXFHZLSPKFE-WDZFZDKYSA-N 286.743 3.766 30 20 CHED CCCc1cccc(/C=C/C(=O)c2cccnc2)c1 774102978 BMOAGUJQARBETR-MDZDMXLPSA-N 251.329 3.930 30 20 CHED C#Cc1cccc(N(C)C(=O)C2C[C@H](C)C[C@@H](C)C2)c1 779916029 RNVYGPMHHYOZSA-ZIAGYGMSSA-N 269.388 3.703 30 20 CHED C[C@@H](CC(=O)OCc1ccc(C#N)cn1)C1CCCCC1 1116793476 WRJZZXYKYRPDMK-ZDUSSCGKSA-N 286.375 3.603 30 20 CHED CC1(C)C(=NOC2CCCCC2)[C@@H]2CCCO[C@H]21 777460452 XUIQZSFVOORUCK-GXTWGEPZSA-N 251.370 3.527 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C/SCc1ccco1 776397471 NNJGYBBMVIOVPN-WEVVVXLNSA-N 279.361 3.510 30 20 CHED C#C[C@H](N[C@H](C)c1ccccc1SCC)[C@@H]1CCCO1 775571686 JFODEWQSKYQVGY-KBMXLJTQSA-N 289.444 3.630 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)[C@@H]1CCCOC1 779755098 WRROPUZIWDXTDW-LLVKDONJSA-N 286.297 3.920 30 20 CHED C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 881323287 FLSXHJKHVHBCQT-BZUAXINKSA-N 293.451 3.521 30 20 CHED Cc1ccc(CC(=O)OCc2cccc(C#N)c2F)cc1C 774891112 YZNYILTUXGGWNG-UHFFFAOYSA-N 297.329 3.600 30 20 CHED COc1ccc2c(c1)CCCN2Cc1ccc(C#N)s1 780766763 MGPKYAHDPBKIAG-UHFFFAOYSA-N 284.384 3.581 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 780591425 KQMTVWSAVZZTSN-QAPCUYQASA-N 269.388 3.790 30 20 CHED CC(C)(C#N)CCCOC(=O)c1csc(C2CC2)n1 783302374 OLHHMOYQKNPQHZ-UHFFFAOYSA-N 278.377 3.507 30 20 CHED C#CCC1(C(=O)N[C@H](C)CNc2ccccc2)CCCCC1 788587629 GQXSKISDELUMBX-MRXNPFEDSA-N 298.430 3.577 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1 782195356 WXXQMWWFGJIVJH-WAYWQWQTSA-N 287.746 3.778 30 20 CHED C#CCCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784484033 CLJVRZBOMAZVGS-AWEZNQCLSA-N 281.321 3.908 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1ccnc(F)c1 781128369 VLVCILNZIOYIDC-UHFFFAOYSA-N 271.339 3.950 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](C)CCCC(F)(F)F)cc1 897563492 NXZLWQUQPYSBFY-NSHDSACASA-N 283.293 3.519 30 20 CHED C=C(C)CSCc1c(C(F)(F)F)nn(C)c1Cl 782246811 UFQKFAWVKYXGCB-UHFFFAOYSA-N 284.734 3.902 30 20 CHED C=C1CCC(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)CC1 897637834 SEZNZANQQMLNNR-QAQDUYKDSA-N 269.388 3.795 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H]2C(C)(C)C)cc1C#N 799332772 OGEQFUYSJIJYMN-HNNXBMFYSA-N 270.376 3.517 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1ccc(C(C)(C)O)cc1 793114392 LRLVVVHAJRGQJN-ZDUSSCGKSA-N 276.424 3.662 30 20 CHED S=C(NN=Cc1ccsc1Cl)Nc1ccccc1 790144742 ZEYPJPYQVJLDCM-UHFFFAOYSA-N 295.820 3.722 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1cccc(OCC)c1 798375757 NKHDBTSSZHHTJE-GFCCVEGCSA-N 278.421 3.726 30 20 CHED C=C1CCC(C(=O)Nc2c(C)csc2C(=O)OC)CC1 890091782 ZRAZCZSDMXGPRL-UHFFFAOYSA-N 293.388 3.528 30 20 CHED CCOc1ccc(Cl)cc1CN1CCC(C)(C#N)CC1 1139011167 OAMKEMJUPQXIIV-UHFFFAOYSA-N 292.810 3.864 30 20 CHED C/C(C=NNc1ncccc1F)=C/c1ccccc1 794993320 LXUCRENOXSHYGB-UXZDFTMUSA-N 255.296 3.722 30 20 CHED COc1cc(CN2Cc3ccccc3[C@@H](C)C2)ccc1C#N 799728770 GJKXMKVXVYYASF-AWEZNQCLSA-N 292.382 3.686 30 20 CHED Cc1ccc(C=NOCCCC2CCOCC2)cc1 790426848 NFMXUISYYPVDNO-UHFFFAOYSA-N 261.365 3.552 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1CCN(C2CC2)C1 793526331 QPQLMGWVZLHMEY-HOTGVXAUSA-N 264.457 3.585 30 20 CHED CCCNN=Cc1ccc(-c2cccc(F)c2F)o1 790158702 UQELOSNFWYARIK-UHFFFAOYSA-N 264.275 3.558 30 20 CHED CCn1cc(/C=C\C(=O)c2cccc(CC(C)C)c2)cn1 794718786 LRHUNTALEKRLLX-HJWRWDBZSA-N 282.387 3.998 30 20 CHED Cc1cc(C=NNc2cncnc2)c(C)n1C1CCCCC1 794975947 AMEJQOGYLOETNC-UHFFFAOYSA-N 297.406 3.846 30 20 CHED CC(C)n1nccc1/C=C1/CCc2ccc(F)cc2C1=O 794945930 LPBIHQYVOKSXSE-LCYFTJDESA-N 284.334 3.816 30 20 CHED CCCN(CC1(CC#N)CC1)[C@H]1CCc2ccccc2C1 1307429699 VXUKYMDVLMLTJN-SFHVURJKSA-N 282.431 3.950 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCC1(C#N)CCC1 1312883375 IZUWPHDTZSZRGB-ZIAGYGMSSA-N 291.439 3.584 30 20 CHED CC[C@@H](C#N)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1320641862 KHBBVNQHYUCRNL-VIFPVBQESA-N 276.723 3.589 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(C#N)c1F 512457813 WASDTWRPDBXOFM-DVOMOZLQSA-N 272.367 3.850 30 20 CHED COc1ccc2nc(-c3ccccc3)cc(C#N)c2c1 91692471 CKQDYVYKQDOFOE-UHFFFAOYSA-N 260.296 3.782 30 20 CHED CCCCCCCC(=O)NCc1ccc([C@@H](C)O)cc1 171129780 JVQVGVFZGSIMHZ-CQSZACIVSA-N 277.408 3.717 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc(C(C)(C)C)nn1 1327649144 SGZJSFSXUAFSPY-UHFFFAOYSA-N 273.384 3.502 30 20 CHED CCCn1nccc1/C=C1\COc2c(C)ccc(C)c2C1=O 1327599681 VYSGDYKALQLKPR-GXDHUFHOSA-N 296.370 3.569 30 20 CHED CCc1nnc(SCCCCC(C)(C)C#N)s1 594918157 SCKANBCTNURMJQ-UHFFFAOYSA-N 269.439 3.913 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(SCC)cc1 1325620532 ZVYQXSCMSQDOSV-GXTWGEPZSA-N 265.422 3.650 30 20 CHED C=CCC(CC=C)c1nnc(-c2ccccc2OC)o1 1326232411 NHFZOPFPSKLVSD-UHFFFAOYSA-N 270.332 3.981 30 20 CHED C=C(C)CNC(=O)c1ccc2c(c1)oc1ccccc12 1326835355 MJJHKWCKTXZVGV-UHFFFAOYSA-N 265.312 3.892 30 20 CHED CC[C@H](C)c1nnc(CCCCOc2cccc(C#N)c2)o1 1324080574 ANRATSFIUDWXQQ-ZDUSSCGKSA-N 299.374 3.856 30 20 CHED Cc1cc(C#N)cc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 1182333197 LHXDCWNEYTVKOY-ULQDDVLXSA-N 282.387 3.626 30 20 CHED CC[C@@H]1Cc2ccccc2CN1C(=O)c1csc(C#N)c1 1330591347 CWNLGPGKTNQOJW-OAHLLOKOSA-N 296.395 3.597 30 20 CHED CC(C)(C)ON=Cc1cn(CCC#N)nc1-c1ccccc1 1253789149 LJOOLLLDCRNFGO-UHFFFAOYSA-N 296.374 3.613 30 20 CHED C#CCN(CC1CC1)C(=O)CCCCc1ccc(C)cc1 1335566272 DHNRSMVPVATXNI-UHFFFAOYSA-N 283.415 3.580 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cccc(-c2ccoc2)c1 1338327529 FVLFERWHWIVFHB-INIZCTEOSA-N 282.343 3.711 30 20 CHED N#CCC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 88255445 JCRQYXWZSPDBEQ-UHFFFAOYSA-N 279.265 3.683 30 20 CHED C[C@@H](CCC#N)CN1CCC(C)(c2ccccc2)CC1 1180007652 ZOSVVHWVYIKZEK-INIZCTEOSA-N 270.420 3.980 30 20 CHED C(=NOC1CCCCC1)c1nc(-c2ccccc2)c[nH]1 1338403461 QHFJYLDJYAQKJV-UHFFFAOYSA-N 269.348 3.760 30 20 CHED Cc1nsc(Nc2ccc(N3CCCC3)cc2)c1C#N 92912419 IBNRAVBSCFCYIK-UHFFFAOYSA-N 284.388 3.667 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 1333053703 MWVYLTDIBOMXNL-CQSZACIVSA-N 289.423 3.560 30 20 CHED C=C1CCN(C(=O)Nc2ccc3nc(C)sc3c2)CC1 1332594053 VEVUHKPYONFFFG-UHFFFAOYSA-N 287.388 3.789 30 20 CHED C=C(C)CCC(=O)Nc1cccc(OC)c1Br 1338819074 GVOCXPCBUCWBAJ-UHFFFAOYSA-N 298.180 3.753 30 20 CHED C=C(C)Cn1c(C(CC)CC)nnc1N1CC[C@@H](CF)C1 1263310311 INSGTWPTNNJMLH-ZDUSSCGKSA-N 294.418 3.554 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(F)c3occc23)cc1 1348469381 TYIPDRAYDJRVAW-UHFFFAOYSA-N 280.258 3.696 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc([C@@H]2CCOC2)cc1 1343440744 PLTQZFDWSHVQQP-DZGCQCFKSA-N 274.360 3.698 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCCC[C@H](C)C1 1340397921 ITRDSQDBQIQDHX-STQMWFEESA-N 294.468 3.515 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1346095268 BFOWTRGJFSNNHI-QKPAOTATSA-N 299.418 3.686 30 20 CHED C[C@@H](Sc1ccc(F)cc1)C(=O)O[C@H](C)C(C)(C)C#N 1343028785 ZUIWRCOIBVZICJ-GHMZBOCLSA-N 295.379 3.788 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)c2ccccc2C)c1 1275797134 QWQJXEONWNKQJQ-CQSZACIVSA-N 278.355 3.917 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccnn1C(C)(C)C 1350084113 OLKUYECVAKIGGF-CYBMUJFWSA-N 290.411 3.601 30 20 CHED Cc1cc(F)cc(N[C@@H]2CCc3cc(C#N)ccc32)n1 1354178989 YXJDXTSSIJTNAG-OAHLLOKOSA-N 267.307 3.500 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H]2C(C)(C)C)c1 1520210390 XBOGGGPEVVUESX-OAHLLOKOSA-N 288.391 3.904 30 20 CHED Cc1ccc(C(C)(C)CNC(=O)c2ccsc2C#N)cc1 1456030090 MHKNHPXATPBMHW-UHFFFAOYSA-N 298.411 3.636 30 20 CHED CCCCCCCNCc1ccc2c(c1)OCCO2 101759745 QUSIUDOIZPFRNJ-UHFFFAOYSA-N 263.381 3.518 30 20 CHED C=C[C@H](C(=O)N[C@@H]1CCCc2occc21)c1ccccc1 1527425917 OZLVBTKEJHJPLE-GOEBONIOSA-N 281.355 3.743 30 20 CHED CSc1cc(C)c(C(=O)Nc2ccc(CC#N)cc2)o1 1531329558 KAWHGYVAIPHIGU-UHFFFAOYSA-N 286.356 3.628 30 20 CHED C=CCCCS[C@@H](C)c1cccc(-c2nn[nH]n2)c1 1609055406 ZEJBTDLQUDMKLX-NSHDSACASA-N 274.393 3.627 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CCC[C@H]2C(C)(C)C)n1 1559209676 JYLSGJLLSDXSKA-OLZOCXBDSA-N 272.396 3.537 30 20 CHED CC[C@@H](CNc1cc(C)c(C#N)cn1)Oc1ccccc1C 1559120693 GJAWDQSACJXOFR-INIZCTEOSA-N 295.386 3.840 30 20 CHED Cc1cc(=NCC[C@H](C)CC(C)(C)C)c(C#N)c[nH]1 1639785341 YUNLTKQJFBMVIF-LBPRGKRZSA-N 259.397 3.558 30 20 CHED CC[C@@H]1CCCC[C@H]1CNCc1ccc(OC)c(C#N)c1 1560489004 VXVJEHQINIKMOM-CVEARBPZSA-N 286.419 3.873 30 20 CHED N#Cc1nc(Nc2ccc3[nH]ccc3c2)sc1Cl 1642226496 DZDNLFWGPYJVJJ-UHFFFAOYSA-N 274.736 3.893 30 20 CHED CNc1cc(Cl)ccc1C(=O)Nc1cccc(C#N)c1 1586892619 PEQKZGBGQALBKO-UHFFFAOYSA-N 285.734 3.506 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1cc(C#N)ccn1 1657431725 OUARHEBBBFMRJK-IBGZPJMESA-N 293.414 3.715 30 20 CHED C=CCC1(NCc2cc(C(=O)O)c(C)o2)CCCCC1 1588769037 KBCFOKOGMNPVQE-UHFFFAOYSA-N 277.364 3.655 30 20 CHED COc1cc(OCc2cc(C)cc(C)c2)ccc1C#N 1652807449 NMYKAQIADDXEGJ-UHFFFAOYSA-N 267.328 3.763 30 20 CHED CCCC[C@H](C)[C@H](C)NCc1ccc(OC)c(C#N)c1 1660584362 ZEOAQPPHCWEZIK-KBPBESRZSA-N 274.408 3.871 30 20 CHED C=CCCC1(C(=O)O)CCN(CCC(C)(C)C2CC2)CC1 1776173214 QPWXRZZCYPZGDI-UHFFFAOYSA-N 293.451 3.946 30 20 CHED Cc1scc(C=NNc2ccc(C(=O)O)c(F)c2)c1C 1776075852 JBYIDTGWVWPLBG-UHFFFAOYSA-N 292.335 3.648 30 20 CHED C#CCCCCNCc1ccc(OC)c(O[C@@H](C)CC)c1 150729905 QANQRIICQBGHMO-HNNXBMFYSA-N 289.419 3.766 30 20 CHED CC(C)(C#N)CCCNc1cc(F)ccc1-n1cccn1 153903491 QBHRGPZGDHXGAG-UHFFFAOYSA-N 286.354 3.753 30 20 CHED C=CCC[C@@H](NC(=O)N[C@H](C)C1CC1)c1ccccc1 156147739 CXOOJSSLDTWGEB-CZUORRHYSA-N 272.392 3.792 30 20 CHED Cc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 154014162 BDOPJRXMOPYSEL-OALUTQOASA-N 291.398 3.662 30 20 CHED CCCCOc1ccc(NC(=O)N[C@H](C)CC#N)c(C)c1 157747892 XSFCTOZWZVATAD-CYBMUJFWSA-N 289.379 3.598 30 20 CHED N#CCN(Cc1ccc(OC(F)F)cc1)C1CCCC1 156748864 BLQOCZXTPNVZIK-UHFFFAOYSA-N 280.318 3.556 30 20 CHED CCN(CC)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 154640496 QEUCQHATEVFYKM-UHFFFAOYSA-N 293.370 3.784 30 20 CHED C=C(Br)CN[C@@H](C)c1cc(C)sc1C 49507120 VJYFILJIWRSTFK-VIFPVBQESA-N 274.227 3.924 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)c2ccccc2)c1 5273444 MJMVFOOLLYSGEY-OOIIIRTPSA-N 255.317 3.581 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 19962422 MCASIACAHKQZET-CQSZACIVSA-N 250.345 3.718 30 20 CHED C[C@H]1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 160174159 YHRVCBJZCZMMDF-WPRPVWTQSA-N 269.270 3.573 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccc(Br)s1 276334943 RSPJMVCLVDGOFL-VIFPVBQESA-N 287.226 3.635 30 20 CHED C[C@H](Cc1ccsc1)Nc1ccc(C#N)cc1[N+](=O)[O-] 48553303 DLQIGKDZKFYRGD-SNVBAGLBSA-N 287.344 3.571 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1)C1CCCCC1 52343166 FZHBBJCKOYDRPS-MRXNPFEDSA-N 270.376 3.647 30 20 CHED N#Cc1cccc(NC(=O)Cc2cccc(Cl)c2F)c1 352125335 CIJLRKVGBRNQNS-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2ncc(C#N)cc2Cl)C1 352241322 KDSOOVMVSMMGCX-IAZYJMLFSA-N 263.772 3.843 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccccc1C(=O)OC 508520663 QPBAZNQJQVTECV-UHFFFAOYSA-N 295.382 3.661 30 20 CHED C=CCC[C@H](CO)N[C@H]1CC[C@H](C)c2ccccc21 320600560 FDFIPVNEUUYGHB-VBQJREDUSA-N 259.393 3.542 30 20 CHED C=CCN(Cc1ccccc1)Cc1scnc1C 92261650 URWMRMWWMISELO-UHFFFAOYSA-N 258.390 3.640 30 20 CHED Cc1csc(CNC2CC(C#N)(c3ccccc3)C2)c1 379093831 FJBOEZDWWMJCKV-UHFFFAOYSA-N 282.412 3.770 30 20 CHED CC(C)(C)N(Cc1ccccc1)Cc1cccc(C#N)n1 602429662 WMGFYTZVORJRMH-UHFFFAOYSA-N 279.387 3.754 30 20 CHED C=CCCCOC(=O)/C=C/c1ccc2ccccc2n1 117992991 MXATUQPOPLQJQV-VAWYXSNFSA-N 267.328 3.757 30 20 CHED N#CCC1(COC(=O)c2ccc3ccccc3c2)CC1 174750863 SPOOWVXWQGCTNP-UHFFFAOYSA-N 265.312 3.690 30 20 CHED Cc1c(C(=O)O[C@H](C)CC#N)oc2ccc(Cl)cc12 113686482 SDIUKJHWQPUOHK-MRVPVSSYSA-N 277.707 3.854 30 20 CHED CN(CCC#N)C(=O)c1ccc(-c2ccccc2Cl)o1 60657672 OUCANCUWOBDDLG-UHFFFAOYSA-N 288.734 3.586 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)c1c(F)cc(C#N)cc1F 308729129 PTJCLFDBXSJHCB-QFYYESIMSA-N 292.329 3.535 30 20 CHED N#Cc1cccnc1N1CC=C(c2c(F)cccc2F)CC1 302281808 UZPVEURGLDSFRL-UHFFFAOYSA-N 297.308 3.525 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(F)ccc1C#N 468952863 LIXQAEFLLVGUJV-XNJGSVPQSA-N 272.367 3.850 30 20 CHED Cc1csc(CCNc2ccc(C#N)c(Cl)c2)n1 63134339 YJGRALJSMPEHSM-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CCCC[C@H](C)N(C)c1nc(C)c(C#N)cc1Cl 311074433 DSRFOZNSWVOBOX-JTQLQIEISA-N 265.788 3.930 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 116862139 FUTVSHSAPSMQAR-SNVBAGLBSA-N 290.750 3.689 30 20 CHED N#Cc1cccnc1N(CC1CCCCC1)C1CC1 301302222 YDPKKBVVVPULTB-UHFFFAOYSA-N 255.365 3.502 30 20 CHED C[C@H](NC[C@@H]1CCc2ccccc21)c1ccc(C#N)cc1 174075925 OELNAXDELYFZNG-KSSFIOAISA-N 276.383 3.939 30 20 CHED CCS[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C 66270228 TYCLCSGVQVEUTJ-ZDUSSCGKSA-N 296.823 3.928 30 20 CHED CN1CCN(CCCCC(C)(C)C#N)Cc2ccccc21 409446907 WTEWFKGHCCVTDP-UHFFFAOYSA-N 285.435 3.658 30 20 CHED CCCOCc1ccccc1CNCc1cccc(C#N)c1 69747421 YGJHNTSPSFUFEH-UHFFFAOYSA-N 294.398 3.775 30 20 CHED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1C[C@@H]1F 1350885938 YJRVSOUHXIDFPO-NEPJUHHUSA-N 286.331 3.583 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)C(C)C 171927610 YSBYOWRCCKVNJD-CQSZACIVSA-N 275.392 3.502 30 20 CHED C=CCC[C@@H](Nc1nnc(C)s1)c1ccccc1 301796814 UDTHYWGMSZNKHT-CYBMUJFWSA-N 259.378 3.966 30 20 CHED N#Cc1cccc(CN2CCC(OCC3CCCC3)CC2)c1 177494742 IAYXDMCEMZSCJQ-UHFFFAOYSA-N 298.430 3.729 30 20 CHED CCN(C(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 174070834 IRWDOHDLFCZUAB-UHFFFAOYSA-N 284.746 3.878 30 20 CHED Cc1ccccc1-c1csc(NC(=O)C2(C#N)CCC2)n1 129385618 NQDLKRQYUCGATA-UHFFFAOYSA-N 297.383 3.751 30 20 CHED CC(C)(F)C(=O)Nc1sc2c(c1C#N)CCCCCC2 129146322 XJNVDUHREVRPFH-UHFFFAOYSA-N 294.395 3.965 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccccc1C(F)(F)F 127963771 ZBRUQMUMNUUJQW-UHFFFAOYSA-N 296.273 3.891 30 20 CHED CC[C@@H](CNc1ccc(C#N)cn1)Oc1cccc(C)c1 301582216 VCZSCYJWKSONAJ-HNNXBMFYSA-N 281.359 3.531 30 20 CHED CC1=C(C)CN(Cc2ccc(C#N)cc2Cl)CC1 483352167 QSHQMCZHKPYOLE-UHFFFAOYSA-N 260.768 3.754 30 20 CHED C=CCn1c(SCCCF)nnc1-c1ccccc1F 126890549 JGQXQZCIBDRFNO-UHFFFAOYSA-N 295.358 3.722 30 20 CHED N#Cc1cccc(C#N)c1NCCOc1ccc(Cl)cc1 302420533 ISBBNPFLLLNBHY-UHFFFAOYSA-N 297.745 3.574 30 20 CHED Cc1cccc(CNCc2ccc(N(C)CCC#N)cc2)c1 74230343 GGRMAANDTFKOSL-UHFFFAOYSA-N 293.414 3.635 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cccc(O)c1 128449292 SKHAWVVIEHLVCB-SOFGYWHQSA-N 283.283 3.505 30 20 CHED Cc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)ccc1C#N 488231085 LWPHWENFIDHOTE-DLBZAZTESA-N 286.444 3.727 30 20 CHED C=C(C)COc1cccc(NCc2ccc(OC)c(O)c2)c1 129251013 QLONSDWCPLEVNQ-UHFFFAOYSA-N 299.370 3.968 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(Cl)c(F)c1 500839657 DPKPXFBCSFPRIZ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N 182076400 SZQZHYZRFDLVAJ-AVGNSLFASA-N 274.364 3.598 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)Cc2ccc(C)s2)CC1 127892360 BIFVUPHQDBTSNO-LBPRGKRZSA-N 292.448 3.595 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C2CCCC2)nn1C 189199249 KDXIZPRYMNIXKS-INIZCTEOSA-N 275.396 3.619 30 20 CHED CCc1nocc1CN(Cc1ccc(C#N)cc1)CC(C)C 507428741 ZXVGLNJWFIIKJF-UHFFFAOYSA-N 297.402 3.767 30 20 CHED CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1F 180848457 KCLLBCIDXXISJO-GOSISDBHSA-N 298.361 3.969 30 20 CHED C=C(C)CN(C)C(=O)c1csc(-c2ccccc2C)n1 180410534 PCLYCPREOHMOQU-UHFFFAOYSA-N 286.400 3.767 30 20 CHED CCC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCC1 412183819 IOBZLPBXFGMMKD-DLBZAZTESA-N 296.414 3.748 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1nc(C(C)(C)C)cs1 411525561 CFIWDARDLVDGJD-QWRGUYRKSA-N 265.426 3.783 30 20 CHED Cc1ccc(CNc2c(C#N)nnc3ccccc23)c(C)c1 77192099 QQFIRJKOSSDQHO-UHFFFAOYSA-N 288.354 3.730 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1coc2ccccc12 70379697 TWFUGQRHAJOXEZ-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)OC)cc1 124614341 FGPASHNXAIKKLY-UHFFFAOYSA-N 288.347 3.572 30 20 CHED Cc1ccc(N(C[C@@H](O)c2ccc(C#N)cc2)C(C)C)cc1 125707648 JHTMIGGOBGRTRS-LJQANCHMSA-N 294.398 3.815 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)C[C@H](c2ccccc2)O1 70694824 WVZHXDLYXNYGBD-HNAYVOBHSA-N 292.382 3.520 30 20 CHED C=CCC[C@@H](c1ccccc1)N1C(=O)N[C@H](CCC=C)C1=O 419973449 HWWKFGJHNFJICU-CVEARBPZSA-N 298.386 3.581 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)c(Cl)c2)CCC1 189666200 NHSVWQSJPSNGIR-UHFFFAOYSA-N 265.740 3.731 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(OCC(C)C)c1 410126905 GCQLAYXWLRVBMC-HNNXBMFYSA-N 275.392 3.806 30 20 CHED COCCOc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 79724526 YCOCMSWCZPMTNP-CQSZACIVSA-N 296.370 3.757 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](C)c2ncc(C)s2)n1 182750806 VFYYBNSPQUIWDN-JTQLQIEISA-N 286.404 3.551 30 20 CHED CCN(Cc1cccc(CN2CCCCC2)c1)C[C@H](C)C#N 411210254 PLRYHBYVGMUCBV-QGZVFWFLSA-N 299.462 3.654 30 20 CHED C#CCCCCNCc1cc(-c2ccncc2)ccc1OC 187295643 FYLJGNUXIYDMFA-UHFFFAOYSA-N 294.398 3.650 30 20 CHED CC(C)[C@H]1N(C[C@@H](C#N)CCC#N)CC12CCCCC2 414133195 BPDVMUXFRHOZFN-HZPDHXFCSA-N 273.424 3.721 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc2occ(C)c2c1 188005148 LWFOTFNTBGJVJU-NSHDSACASA-N 271.320 3.555 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(C)c(C)n2)CCCC1(C)C 412293408 OCOGQIQWKGMDAC-INIZCTEOSA-N 286.419 3.905 30 20 CHED CCC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C 411039407 XVHOHYDRESJJGC-CYBMUJFWSA-N 294.345 3.781 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCc1sccc1C 410140546 RJOGWRJOVNAXFO-CYBMUJFWSA-N 265.422 3.850 30 20 CHED CC1(C)CCC(CC(O)=Nc2nncn2C2CC2)CC1 329110188 JGNHDYDECQHBJO-UHFFFAOYSA-N 276.384 3.808 30 20 CHED OC(=Nc1csc(-c2ccccn2)n1)C1CCCC1 329522272 GBCPTVOJKFHCSD-UHFFFAOYSA-N 273.361 3.983 30 20 CHED CCC(C)(C)CC(=O)Nc1ccc(C#N)cc1C(C)=O 411070688 RYUURJMFCNKLTM-UHFFFAOYSA-N 272.348 3.526 30 20 CHED C[C@H](C#N)CNC(=O)Nc1cccc(Oc2ccccc2)c1 84908547 OLMPTDQJDLCHFH-CYBMUJFWSA-N 295.342 3.760 30 20 CHED N#Cc1cc2c(nc1NCc1cccc(F)c1)CCCC2 43409417 UNTXUMFJEMTOSU-UHFFFAOYSA-N 281.334 3.583 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1c1ncc(C#N)cc1F 413240646 VMSROCCNJIKQEO-GOSISDBHSA-N 295.361 3.694 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2csc(CC)n2)CCC1 191597768 FEPJWBDPSWNKDL-NSHDSACASA-N 278.421 3.629 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)n[nH]1 194129444 KKXZRXXFEQGRKW-UHFFFAOYSA-N 296.374 3.587 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)o1 80451298 NFMDYKHIPXVKSN-SNVBAGLBSA-N 274.345 3.658 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)[C@@H](C)CC 504576775 CLCGFGPHSKBKPZ-KBPBESRZSA-N 263.381 3.519 30 20 CHED CCc1onc(C)c1N=C(O)[C@H]1CCC(=O)c2ccccc21 328795400 CGNJBACDTXCIOD-ZDUSSCGKSA-N 298.342 3.894 30 20 CHED N#Cc1ccc(-c2nc(Cc3cccc(Cl)c3)no2)cc1 225269669 WRYNFWLSCDLNEG-UHFFFAOYSA-N 295.729 3.852 30 20 CHED CCc1cc(O)ccc1NC(=O)Nc1ccc(CC#N)cc1 191983302 MYTPIPZQMRGYDA-UHFFFAOYSA-N 295.342 3.665 30 20 CHED N#CCCCc1nc(-c2ccc(C(F)(F)F)cc2)no1 291111576 SVSRSKDQBSHFIC-UHFFFAOYSA-N 281.237 3.602 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)sc1C 41497315 MKBNTVPVMILBFC-NSHDSACASA-N 295.367 3.731 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc(-c3ncco3)c2)CCC1=O 329003097 HJQXRAVUNUKESD-NWDGAFQWSA-N 298.342 3.935 30 20 CHED N#CCC[C@@H](NCc1cccc2c1OCO2)c1ccccc1 130429217 IGZAHHCNVXWVGG-MRXNPFEDSA-N 294.354 3.550 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCc2ccccc2)n1 613409297 XRCIYEIWINKKDU-UHFFFAOYSA-N 265.360 3.863 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](C)c1cccc(OC)c1 84522984 QYEUCLTUFYSAKT-CQSZACIVSA-N 275.392 3.613 30 20 CHED CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CCCC1 80018931 DNKKHLQKPGRSEQ-ZDUSSCGKSA-N 285.391 3.593 30 20 CHED C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@H](C)C1 425271694 DDOGAJBMGDDNGY-NXEZZACHSA-N 283.297 3.597 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCc1ccccc1 42142154 ZVPNHNAPPSIJAU-CQSZACIVSA-N 277.433 3.733 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(OCc2ccccc2)cc1 194969583 DXQBQSZJNDKPET-INIZCTEOSA-N 294.398 4.000 30 20 CHED C=CCC[C@H](NCCCN1CCC(C)CC1)c1ccco1 513754675 MNWFSWFBYZOMOT-KRWDZBQOSA-N 290.451 3.999 30 20 CHED C[C@@H](NCCCC#N)c1cc(Cl)ccc1Cl 132057095 ZFACMNXHRFLAFX-SECBINFHSA-N 257.164 3.948 30 20 CHED Cc1ccoc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 48855083 KBPJMCUUYSMSSH-ZDUSSCGKSA-N 276.295 3.626 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCC(C)(C)CCC#N 513113650 QNJPREDEKDSAPX-KFWWJZLASA-N 291.439 3.679 30 20 CHED CC(C)(C)c1cnc(NC(=O)c2ccc(C#N)cc2)s1 81232967 DZEFWBPPVNDTKQ-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc(CCC)cs1 426564961 JTJLLOBOYXQRAZ-CYBMUJFWSA-N 250.411 3.636 30 20 CHED C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@H]2CCCC[C@@H]12 513107314 FFEOQEXHJGLTJV-ILXRZTDVSA-N 291.439 3.536 30 20 CHED C[C@@H](Nc1ccn(CCC#N)n1)c1cccc(Cl)c1 86154687 HPNOGACEKRDNTR-LLVKDONJSA-N 274.755 3.623 30 20 CHED CC1=C(C(=O)N[C@H](C#N)c2ccccc2Cl)CCC1 336555891 MJRWWBCHPVLFTA-CQSZACIVSA-N 274.751 3.521 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)cc1F 421399114 SYQQERHOCFVUON-QAQDUYKDSA-N 280.346 3.733 30 20 CHED N#CC1(C(=O)NCC2(C3CCC3)CCC2)CCCCC1 333558518 VWOPKHWKKRYSDI-UHFFFAOYSA-N 274.408 3.547 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H](C)c1ccccc1 426025496 ZOPVGNFFPRHUPW-BFYDXBDKSA-N 286.419 3.929 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2cc(F)ccc2C1 91893801 GAVNPYYHOPTJNL-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CC(=O)c1cc(/C(O)=N/[C@@H]2CCCC2(C)C)c(C)nc1C 331167757 YSLYZHZGDDNZJP-OAHLLOKOSA-N 288.391 3.784 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(C)o1 337918514 WQZRQJCZFHAELT-LBPRGKRZSA-N 288.395 3.515 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 424648345 LYYOGHNDAAQGQT-DFBGVHRSSA-N 290.794 3.847 30 20 CHED Cc1cccc(CC[C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 424319551 DZIADSDCACWKBO-HYVNUMGLSA-N 256.393 3.598 30 20 CHED CCOc1ccc(N/C(O)=N/C2CCC(F)(F)CC2)cc1 330513819 UGEPOFOQSVEGBT-UHFFFAOYSA-N 298.333 3.989 30 20 CHED C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCC2)C[C@H](c2ccccc2)C1 333989186 IUTBFXICKHGSOC-USXIJHARSA-N 296.414 3.769 30 20 CHED N#Cc1ccnc(C(=O)N2CCCC3(CCCCCC3)C2)c1 335207095 QSTLLQSUBFPLIP-UHFFFAOYSA-N 297.402 3.530 30 20 CHED N#CCc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 332642191 XFYZVQKWRXMZGV-KBAYOESNSA-N 296.414 3.841 30 20 CHED CCO[C@H](C)c1nccn1Cc1ccc(C#N)cc1Cl 438899406 ZLAUXFZAKFPOKF-LLVKDONJSA-N 289.766 3.554 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(COC)o1 92261422 BCGYVQYEFNKQMP-UHFFFAOYSA-N 271.360 3.614 30 20 CHED Cc1cccc(C2(CNC(=O)CC(C)(C)C#N)CCCC2)c1 330721307 XLLVPDYSBDGQCF-UHFFFAOYSA-N 298.430 3.863 30 20 CHED CC(C)c1ccoc1C(=O)Nc1cccc(C#N)c1 335909398 KLDBNWNNHIHKLS-UHFFFAOYSA-N 254.289 3.527 30 20 CHED CCC1(C/N=C(/O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1 330780754 NXLBDRVODWOLSJ-UHFFFAOYSA-N 292.335 3.575 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1nc2ccccc2s1 337089088 IESTZRYAICYJGQ-LBPRGKRZSA-N 288.416 3.700 30 20 CHED Cc1cc(C)c(-c2csc(NC(=O)[C@H](C)C#N)n2)c(C)c1 335148849 CQWOLZSPGXFCIB-GFCCVEGCSA-N 299.399 3.834 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)/N=C(/O)C2=CCOCC2)cc1 330823105 GMSGVUIGTDSMJG-INIZCTEOSA-N 298.386 3.852 30 20 CHED CC(C)[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1cccnc1 436078718 BDQGFHJBKDYGKU-QGZVFWFLSA-N 293.370 3.526 30 20 CHED CCOc1cccc(NCC(C)(C)CCC#N)c1[N+](=O)[O-] 340930987 JOXPMIKPXSREHA-UHFFFAOYSA-N 291.351 3.735 30 20 CHED CCC(C#N)(CC)c1nc(-c2cccc3cnccc23)no1 528128962 FSXKTTKBZQRFTA-UHFFFAOYSA-N 292.342 3.866 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc2c(OC)ccnc12 526042831 STDFJKBPZDJZHQ-QGZVFWFLSA-N 284.359 3.784 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(C)c2ccc(C#N)cc2)C1 439933800 OXNZMAYXFCACIK-ZFWWWQNUSA-N 270.376 3.737 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(C)nsc1NC1CC1 345487830 LBRVWGVRCACHLV-JTQLQIEISA-N 293.436 3.500 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H]1CCC[C@@H](CC)C1 435741347 OGKBKWZHEBCXGL-VQHPVUNQSA-N 265.441 3.774 30 20 CHED C=CCCC[C@H](C)NC1CCN(C(=O)OC(C)(C)C)CC1 182184630 KKULEASCDJOQOR-AWEZNQCLSA-N 296.455 3.720 30 20 CHED C[C@@H](CCC#N)CNCc1nc2cc(Cl)ccc2s1 602533882 ZEIKWSSQXNCDBC-JTQLQIEISA-N 293.823 3.979 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1Cl)C1CCC1 439434512 DRLVVXDQCWHGRO-UHFFFAOYSA-N 262.784 3.975 30 20 CHED CCS[C@H]1CCC[C@H](N=c2[nH]ccc(C#N)c2Cl)C1 342815566 DJUFXESOAFUGSX-RYUDHWBXSA-N 295.839 3.505 30 20 CHED C=CCOCC(=O)N(CCCC)[C@@H](C)c1ccccc1 523148200 ZOFBYNZOZOUPKU-HNNXBMFYSA-N 275.392 3.579 30 20 CHED COc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(F)c1 344296374 LYEKACUHYTUNLG-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CCS[C@@H]1CCC[C@@H](Nc2nccc(C)c2C#N)C1 343536871 SVLIVLUHRDLLOH-CHWSQXEVSA-N 275.421 3.738 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1c(C)noc1C)C2=O 254955577 LIFODCAUNSMLMV-WWNSAXIVSA-N 267.328 3.983 30 20 CHED C=CCSCCN[C@H]1CCCc2ccc(F)cc21 344300425 VAZCGXPAMBMTFZ-HNNXBMFYSA-N 265.397 3.712 30 20 CHED CC(C)(CCNC(=O)C1(C#N)CCCCC1)c1ccccc1 604395223 RFKFXZNGYNUJNQ-UHFFFAOYSA-N 298.430 3.945 30 20 CHED N#CCN(C(=O)C[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 341149386 BJMVUGLDUZDMLS-FUHWJXTLSA-N 290.366 3.737 30 20 CHED N#Cc1ccc(Sc2c(F)cc([N+](=O)[O-])cc2F)cc1 440586974 FHUOXAICANTAOK-UHFFFAOYSA-N 292.266 3.896 30 20 CHED C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H](C)C#N)C1CC1 344097739 VMPZNFBMWJMGFI-MNOVXSKESA-N 276.767 3.552 30 20 CHED COc1cc(/C=C2/Cc3ccc(F)cc3C2=O)cc(OC)c1 255365321 MCDGXBKPCLRSSF-ACAGNQJTSA-N 298.313 3.665 30 20 CHED CCOc1ccc(N=Cc2cccc(OC)c2O)cc1F 254966428 AJPACEUDAPXXHW-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CCOC(=O)[C@@H](Sc1cccc(C#N)c1)C(C)(C)C 600528867 ISIMRNNTOPDVKG-CYBMUJFWSA-N 277.389 3.628 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1CC(C)(C)C1 351590189 RMYJBEZNEOKHQK-UHFFFAOYSA-N 282.387 3.509 30 20 CHED COC1CCC(C)(CNc2ncc(C#N)cc2Cl)CC1 359827791 DCCBKWKOZXZLEA-UHFFFAOYSA-N 293.798 3.614 30 20 CHED N#CC1(CN[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 539450176 JSGLINNIJHULPB-KRWDZBQOSA-N 280.346 3.808 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)Cc1ccc(Cl)cc1Cl 608822939 JSMDAPCYOWRORK-LBPRGKRZSA-N 299.201 3.590 30 20 CHED CC(C)c1coc(NC(=O)C[C@H](CC#N)c2ccccc2)n1 602394751 VXRSCEZNXITHQB-AWEZNQCLSA-N 297.358 3.824 30 20 CHED CO[C@H](c1ccccc1Cl)[C@H](C)NCCC(C)(C)C#N 538691443 OOQQPUVEJVBEOS-WFASDCNBSA-N 294.826 3.945 30 20 CHED C[C@H](CCC#N)CNCC1(Cc2ccccc2)CCC1 602568801 NCUCXRQKEBVFPQ-MRXNPFEDSA-N 270.420 3.929 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/Cc2ncccc2C)cc1 262515160 FWNLJSPNPPTBFE-CYBMUJFWSA-N 296.418 3.830 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)Nc1ccccc1SCCC#N 354276878 CWILARWRXBDBOM-VXGBXAGGSA-N 274.389 3.677 30 20 CHED CCO[C@@H](C)c1nccn1Cc1ccc(Cl)cc1C#N 358606248 IRRGESJOCSRSFT-NSHDSACASA-N 289.766 3.554 30 20 CHED COCC[C@@H](C)Sc1ccc(C#N)cc1Cl 269920482 ANQTVFBTCFSVAS-SECBINFHSA-N 255.770 3.729 30 20 CHED C[C@@H](Cc1coc2ccccc12)NCC1(CC#N)CC1 449303501 YGJPLUZGXRWPRF-ZDUSSCGKSA-N 268.360 3.647 30 20 CHED Cc1cccc2c(N(C)CCOC(C)(C)C)c(C#N)cnc12 610856189 NOGKEFJMDZNWQJ-UHFFFAOYSA-N 297.402 3.666 30 20 CHED C=CCC[C@H](N[C@@H]1CN(C)Cc2ccccc21)C1CC1 539054685 IUTSSBRFTLFSJM-ZWKOTPCHSA-N 270.420 3.508 30 20 CHED C[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 610223356 UOOYLWLZVQSFSD-SNVBAGLBSA-N 286.281 3.579 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(OC(F)(F)F)c2)C1 442876198 PIVQQJKIWHQDKG-ONGXEEELSA-N 270.254 3.689 30 20 CHED C=CCCNC(=O)c1ccc(Cl)cc1SCC 617617324 BNOUQIGRWZFRTQ-UHFFFAOYSA-N 269.797 3.758 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1CCCCC#N 266949003 SXOKKIOUNHYMRO-WBVHZDCISA-N 256.393 3.633 30 20 CHED N#CCCCN[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 449236535 YJZSBIHMCGAUGL-GDBMZVCRSA-N 276.811 3.945 30 20 CHED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1OCC(F)F 442888972 IKWDJNRRHLKBHY-NWDGAFQWSA-N 280.318 3.743 30 20 CHED C[C@@H]1CCN(c2cccc(F)c2C#N)CC12CCC2 356788579 DXOVFARQGJFEPA-GFCCVEGCSA-N 258.340 3.714 30 20 CHED Cc1cccc([C@H](C)C(=O)N(CC#N)c2ccccc2)c1 610043055 YZMMCZYSWPQEDJ-HNNXBMFYSA-N 278.355 3.655 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCCc2ccccc21 537228026 ABCKHWSVCYXRCD-WMLDXEAASA-N 271.404 3.968 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(Cl)cc(C#N)cc1Cl 619617864 SAZPDQKUVRIVKX-JTQLQIEISA-N 297.185 3.950 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 457001756 AJRGUBCFFNQUAD-OAHLLOKOSA-N 284.403 3.651 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 617787860 ZBEMEBVLHDBBHJ-LBPRGKRZSA-N 295.329 3.716 30 20 CHED C=CCOCCCSCc1c(F)cccc1F 530472200 STHGPSILRUJNAE-UHFFFAOYSA-N 258.333 3.791 30 20 CHED C=C(CC)CN[C@H](C)c1ncc(Br)cc1F 453383416 YRRDAYULVRRHQF-SECBINFHSA-N 287.176 3.600 30 20 CHED C=C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 268628195 OFARJQVDEVABSB-UHFFFAOYSA-N 263.406 3.838 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCC(C)(C)C#N 360263333 BDVGIZMGEOVSBN-UONOGXRCSA-N 284.403 3.642 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCOc2c(F)ccc(F)c21 361251510 NYJCEMXEGSLYPA-ZDUSSCGKSA-N 294.345 3.708 30 20 CHED COc1ccc([C@H](C)[C@H](C)NCC(C)(C)CC#N)cc1 459729581 KDVWTUTYQDLQIX-KGLIPLIRSA-N 274.408 3.717 30 20 CHED C[C@H](C(=O)NCc1cccc(C#N)c1)c1cccc(Cl)c1 610222953 XHVJDYSFCJXTNL-LBPRGKRZSA-N 298.773 3.632 30 20 CHED COC(C)(C)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 611393509 VJVDVVWMRNVPPB-GUYCJALGSA-N 286.419 3.729 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 451220074 WCNGXIGVQIWVNM-UVBSCNOISA-N 282.387 3.713 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NCC(C)(C)CC#N 457992482 LBVTZKQBFAKNMT-GFCCVEGCSA-N 252.402 3.505 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 276206185 ZKBPNIVLJMINBM-ZDUSSCGKSA-N 299.374 3.620 30 20 CHED C[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1cccc(Cl)c1 274383630 ZATABFFMZZBKHC-BDJLRTHQSA-N 292.810 3.888 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 361482820 BJGZFBQIWBRQKG-IHRRRGAJSA-N 290.382 3.726 30 20 CHED Cc1ccc(-c2ncc(CN(C)C[C@H](C)C#N)s2)cc1 271116824 FUWAECFVLAYAAH-CYBMUJFWSA-N 285.416 3.710 30 20 CHED C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)C1CCC1 457660070 MAVCCUBPZWZEHA-CZUORRHYSA-N 270.376 3.584 30 20 CHED N#CCC[C@H](NC1CC2(CCC2)C1)c1ccccc1 459440780 ADNDHWOWJIMFIT-INIZCTEOSA-N 254.377 3.954 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)NCC(C)(C)CC#N 459262631 VLORBLPGRJQJPL-AWEZNQCLSA-N 279.428 3.536 30 20 CHED C=CC(C)(C)CN[C@H](c1ccc(F)cn1)C(C)C 453309082 OVYHENTZCMQVEK-AWEZNQCLSA-N 250.361 3.720 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Cn1ccc2ccccc21 452782488 KKLGUXSBJQKPPG-AWEZNQCLSA-N 284.403 3.606 30 20 CHED COc1ccccc1N(CC1(C#N)CCC1)C(C)C 451046490 GHKUAZNGCVVGOZ-UHFFFAOYSA-N 258.365 3.604 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 454962735 NPSXSOPKQFFMRL-WDEREUQCSA-N 298.308 3.584 30 20 CHED C=CC[C@H]1N(Cc2nnc(C(C)C)o2)CCCC1(C)C 277950335 ZZFXAEBWPDQDFV-CYBMUJFWSA-N 277.412 3.760 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CC)c1ccc(Cl)s1 464752467 AWNGAUPGVXSVNP-RKDXNWHRSA-N 272.801 3.726 30 20 CHED C[C@@H](C(=O)NC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 540971906 KRJDWLAUWLMDFY-MRVPVSSYSA-N 285.174 3.515 30 20 CHED CCC1(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCC1 455881115 ADUBYIDUTNXKDR-UHFFFAOYSA-N 298.430 3.823 30 20 CHED C=CCC1(c2nc(-c3ccnc(C)c3)no2)CCCC1 453164910 LCWIAZALTPMXRL-UHFFFAOYSA-N 269.348 3.828 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(F)c1 362464337 JWGMLHSFMPIDBS-NSHDSACASA-N 266.291 3.537 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2OC[C@H]1C 272910325 HJEYKHIRAFCDHC-CQSZACIVSA-N 285.387 3.565 30 20 CHED C=CCN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC1 271375601 IPQYQUSKWDYAPN-UHFFFAOYSA-N 274.751 3.612 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(-c2nc(C)co2)c1 370449387 KHAVYNMKXUKCME-UHFFFAOYSA-N 291.738 3.524 30 20 CHED C=C(C)[C@H](CC(=O)Nc1c(C)cccc1C)OCC 270148141 HHVIVBGXWBDJAZ-AWEZNQCLSA-N 261.365 3.613 30 20 CHED C[C@H]1CSc2ccccc2N(C(=O)CC(C)(C)C#N)C1 278295528 DCKVBGFXSWZNBM-GFCCVEGCSA-N 288.416 3.701 30 20 CHED COCCOc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](C)C1 542464472 VEDXBWBJGLJKKY-UKRRQHHQSA-N 288.391 3.574 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 465649788 DLGBTOGLTNPADN-IHRRRGAJSA-N 287.407 3.743 30 20 CHED C[C@@]1(CNc2ccc(Cl)cc2C#N)CCO[C@@H]1C1CC1 466629314 AADWIGIBMWKLDT-CVEARBPZSA-N 290.794 3.829 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 469849966 UKVCQTFFHJWMBZ-UHFFFAOYSA-N 286.375 3.606 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C)CC1CCOCC1 468518135 VMSSTAIOCARRQA-CYBMUJFWSA-N 288.391 3.574 30 20 CHED COCCOc1ccc(C#N)cc1N[C@H]1CCC(C)(C)C1 542487829 BBYRDPAAGULXLN-AWEZNQCLSA-N 288.391 3.574 30 20 CHED C=Cc1ccc(CCNC(=O)Nc2cccc(C#N)c2)cc1 461246600 MEKMBCHOLQFDOL-UHFFFAOYSA-N 291.354 3.565 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCc2c(cccc2C(C)C)C1 286501466 NMODISQAZJKQHY-GOSISDBHSA-N 284.403 3.635 30 20 CHED COc1cc2c(OCCC(C)(C)C#N)ccnc2cc1F 281775272 DLXQFZMYFXQNGC-UHFFFAOYSA-N 288.322 3.701 30 20 CHED C=CCNC(=O)Nc1cc(-c2cncc(F)c2)ccc1C 374854731 ITXMTSMCYBFYLI-UHFFFAOYSA-N 285.322 3.504 30 20 CHED CC[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(C#N)cc1 287183592 CTSDUOSTYWMDJH-KGLIPLIRSA-N 282.309 3.940 30 20 CHED N#CC1(CCCN2CCCCc3ccccc32)CCOCC1 281965862 KSVXMZOWPUHXRZ-UHFFFAOYSA-N 298.430 3.930 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCc1ccc2[nH]ccc2c1 464163917 LOKUIWFESOQASY-SFHVURJKSA-N 297.402 3.545 30 20 CHED CC1(C)[C@@H](NCCCCC#N)C[C@@H]1Oc1ccccc1 284299624 KSLGPTUZIFOXHY-HOTGVXAUSA-N 272.392 3.516 30 20 CHED Cc1c(Cl)cnc(N2CC(C)(C)[C@@H]3CCC[C@H]32)c1C#N 555250688 GIBPODKGAYIYSQ-TZMCWYRMSA-N 289.810 3.930 30 20 CHED C=CCCN(C)C(=O)c1ccc(-c2csc(C)n2)s1 632703190 SKBPNRFCVBYZMV-UHFFFAOYSA-N 292.429 3.828 30 20 CHED C=CCC1(C(=O)N(C)c2nc(C)cs2)CCCCC1 460003690 IGNPKHFTPNDNSN-UHFFFAOYSA-N 278.421 3.941 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1cccc2ccccc12 285131693 WINHTSRLWJHFCD-FZKQIMNGSA-N 280.371 3.957 30 20 CHED CC(C)Oc1cccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1 282026853 SSKIQADHYBJAGU-LZWOXQAQSA-N 272.392 3.817 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)ccc1Cl)c1ccncc1 803834345 AHWXWGCUYCFAFZ-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C=CCC[C@@H](NC1CCN(CCC)CC1)c1ccco1 476003243 NAYGAZBBSQQPDR-MRXNPFEDSA-N 276.424 3.751 30 20 CHED C[C@H](S[C@@H](C#N)C1CCCCC1)C(=O)OC(C)(C)C 479724524 WLIXMJGFDGSWOR-AAEUAGOBSA-N 283.437 3.922 30 20 CHED C#CCCCCNC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 806958538 GPRCCIXVOKZVHP-CABCVRRESA-N 278.440 3.646 30 20 CHED C=CCOc1ccccc1CNC1CCC(COC)CC1 294916357 CLJFSZMFZZLWRN-UHFFFAOYSA-N 289.419 3.546 30 20 CHED Cc1occc1-c1nnc(SCC2(C#N)CCCC2)o1 806585045 GGYWCHKMTKZHFB-UHFFFAOYSA-N 289.360 3.814 30 20 CHED C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H](C)C#N 297659453 BQDCQJZQEWYTOF-NXEZZACHSA-N 299.201 3.542 30 20 CHED C=CCOc1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)cc1 647499600 YJNCKLZOFXQQFY-IRXDYDNUSA-N 299.414 3.902 30 20 CHED C=CCC(C)(C)c1noc(-c2cnc(O)c3ccccc23)n1 560029383 STFHKWCFNOXATD-UHFFFAOYSA-N 295.342 3.844 30 20 CHED COC(=O)c1ccc(/C=C2/C(=O)c3ccccc3[C@@H]2C)cc1 809158425 AHSJBIPPJUZUOS-OOIIIRTPSA-N 292.334 3.857 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1c(F)cccc1F 294283992 YBIUIOZBPURGIO-HNNXBMFYSA-N 267.319 3.526 30 20 CHED CCOC1(C)CCN([C@H](C)c2ccc(C#N)cc2)CC1 298271830 NWAOXPBAOKWSSR-CQSZACIVSA-N 272.392 3.510 30 20 CHED C#CCC1(C(=O)Nc2cccc(SC)n2)CCCCC1 807783996 ZSTCXNNNJUJNEG-UHFFFAOYSA-N 288.416 3.716 30 20 CHED CCO[C@@H]1CC(=NNc2c(C)cccc2CC)[C@@H]1SC 807987459 GPKJOCSBCUUHQB-ZBFHGGJFSA-N 292.448 3.866 30 20 CHED C#C[C@@H](NC(=O)[C@H](Cc1ccccc1)C(C)C)C(C)(C)C 807880195 FBPOYTRDCLRXPS-IAGOWNOFSA-N 285.431 3.665 30 20 CHED N#Cc1ccc(CN2CCCc3cc(C#N)ccc32)c(F)c1 567447941 FIMBSVCKDOZRHN-UHFFFAOYSA-N 291.329 3.522 30 20 CHED C=C(CNC(=O)/C=C/c1ccccc1)c1ccccc1 805251062 MCJRENZTYISIIU-OUKQBFOZSA-N 263.340 3.529 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 294411458 LBOGTCQTIBFLPN-UHFFFAOYSA-N 270.332 3.801 30 20 CHED N#Cc1ccc(CNC(=O)C(F)=C2CCCC2)cc1Cl 801070525 LDMJJTGYYZLZPW-UHFFFAOYSA-N 292.741 3.625 30 20 CHED Cc1ccc2sc(C(=O)N[C@H](C#N)C(C)C)c(C)c2c1 485767621 FEONXZHPQRXBFM-CYBMUJFWSA-N 286.400 3.796 30 20 CHED CC(=NOC/C=C\Cl)c1ccc2ccccc2n1 811668664 IWSLGADOYKKQBB-FVQPBGQASA-N 260.724 3.728 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 486995062 HYUHXKXZPIYHLJ-HNNXBMFYSA-N 294.826 3.879 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccccc1C)C(C)C 488565821 XQOKKSXWEGIEGA-OAHLLOKOSA-N 260.381 3.567 30 20 CHED Fc1cc2nc(NN=C3CC[C@@H]3C3CCC3)[nH]c2cc1F 814795602 BWIXATRQUHABMY-SECBINFHSA-N 290.317 3.819 30 20 CHED C/C(=C\C(=O)OC1(CC#N)CCC1)c1cccc(F)c1 810859484 LLHXACTULJCISR-ZRDIBKRKSA-N 273.307 3.609 30 20 CHED Cc1sccc1C=NNc1ncnc2ccsc12 814878789 IAUKTLVOFKLNRQ-UHFFFAOYSA-N 274.374 3.507 30 20 CHED CSCc1cnc(C=NNc2ccccc2F)s1 814789179 ARORNRKURNJVRM-UHFFFAOYSA-N 281.381 3.591 30 20 CHED Clc1cc(NN=C2CC[C@@H]2C2CC2)cc(Cl)n1 819828761 PKAUJDLXYACDAP-SECBINFHSA-N 270.163 3.976 30 20 CHED C[C@@H](C=NOCC1CC1)c1cccc(Br)c1 814243621 GRGGGRLXWMHOBZ-JTQLQIEISA-N 282.181 3.965 30 20 CHED C=CCC(CC=C)C(=O)N(CCOC)C[C@@H]1CC=CCC1 483024816 RSSSCCLFSSWZFC-MRXNPFEDSA-N 291.435 3.586 30 20 CHED C=CCCn1cc(CNc2cc(C)c(C)cc2Cl)nn1 656119530 RIXDZOWQQNOPAV-UHFFFAOYSA-N 290.798 3.737 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccn(C)c2CC)c1 571454659 UWOUMAWOUUOVPW-UHFFFAOYSA-N 298.386 3.795 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2cc3cc(Cl)ccc3[nH]2)no1 579077601 IUSZLMNCANQYOL-ANRSDYALSA-N 298.733 3.672 30 20 CHED C=CCCCCCCCNC(=O)[C@H](C)C(C)(F)F 816746673 JWYRUMAHFXGZPL-LBPRGKRZSA-N 261.356 3.921 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 486937499 QSFKJDPEHBUNPC-HUUCEWRRSA-N 266.429 3.809 30 20 CHED C=Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 578891619 UGVBGENUKFMQAO-ZDUSSCGKSA-N 276.339 3.692 30 20 CHED CCOc1c(F)cccc1C(=O)Nc1ccccc1CC#N 576618156 MURPKAREXXYBHD-UHFFFAOYSA-N 298.317 3.543 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1ccccc1F 727258882 VVMISKFYOYBFRQ-UHFFFAOYSA-N 280.306 3.605 30 20 CHED CCc1ccc([C@H]2CCN(c3ccncc3C#N)C2)cc1 575240840 UYDLVWQPIMMTHC-INIZCTEOSA-N 277.371 3.510 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C)c1nc(C)no1 662874001 KKAYRRZCVHHKFW-GFCCVEGCSA-N 263.385 3.507 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1OCC(C)C)C(C)C 821533712 DKZKXIBPASKKMS-AWEZNQCLSA-N 288.391 3.501 30 20 CHED C=CCn1c(-c2ccc(Cl)cc2)nnc1N(CC)CC 574368855 VTMWDAFGMJXNSZ-UHFFFAOYSA-N 290.798 3.631 30 20 CHED C[C@@H](CC(=O)N(C)C1(C#N)CCC1)c1c[nH]c2ccccc12 574106028 NSLOVUSRRYZIMD-ZDUSSCGKSA-N 295.386 3.566 30 20 CHED CCCCCCCCNCc1cn(-c2ccccc2)nn1 729677569 VLROMHXOCNGURM-UHFFFAOYSA-N 286.423 3.717 30 20 CHED CC#CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 498605751 USZGPVYCOSIMGZ-QWHCGFSZSA-N 296.197 3.627 30 20 CHED CC[C@H](NCC[C@H]1CCCCO1)c1cccc(C#N)c1 902944302 FFLWIGKKISWVTR-SJORKVTESA-N 272.392 3.558 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(OC)cc(OC)c1Cl 822642584 JRJFTCZXXBZGOS-JTQLQIEISA-N 297.782 3.898 30 20 CHED C=C(Cl)C[C@@H](NCc1cc(C(C)(C)C)oc1C)C(=O)O 900043413 SVYGBGNXBPACQK-GFCCVEGCSA-N 299.798 3.571 30 20 CHED COc1cc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)on1 821021593 IZIQACJNTSENAI-AATRIKPKSA-N 297.232 3.598 30 20 CHED C=CCn1c(S[C@H](C)OC)nnc1-c1ccccc1C 901520786 SSRGDNSJFNLLBT-GFCCVEGCSA-N 289.404 3.524 30 20 CHED N#CCCN[C@@H]1CCCC[C@@H]1c1ccccc1Cl 825720135 ASMGKEPNSNSIAM-UKRRQHHQSA-N 262.784 3.869 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 664333301 NHYSJXZJMSGKOA-LLVKDONJSA-N 280.318 3.785 30 20 CHED C=CC[C@@H](NC(=O)N1CCC(C)(C)CC1)c1ccncc1 734684562 VORYUHIXWUWMBD-OAHLLOKOSA-N 287.407 3.530 30 20 CHED c1ccc2c(NN=C3CCC[C@H](C4CC4)C3)nncc2c1 737418961 ZHUJSQOHMHSMFQ-ZDUSSCGKSA-N 280.375 3.998 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)/C=C\c2ccc3[nH]ccc3c2)C1 839055308 NFAHGBBYMOSRLR-UYTOFJLZSA-N 294.354 3.807 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839049797 SLHFHMGFGWTMGK-IVMMDQJWSA-N 289.350 3.630 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H](C)c1cn(C)c2ccccc12 839042394 KZQPWTGUAZNILD-KBPBESRZSA-N 283.371 3.627 30 20 CHED C=CCC1(C(=O)OCCc2cscn2)CCCCC1 838153723 KXLJTXBLTJRVRB-UHFFFAOYSA-N 279.405 3.755 30 20 CHED CC(=O)c1cc(F)ccc1OCc1ccc(OCC#N)cc1 731159591 UCMBMAXCEWQVRA-UHFFFAOYSA-N 299.301 3.510 30 20 CHED C=C1CCN(C(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 668303908 XZVVPQPNHGXRCO-MSOLQXFVSA-N 283.415 3.824 30 20 CHED Oc1ccc(Br)cc1/C=N/[C@H]1CC=CCC1 735978707 JUVAYBGCNZCJKZ-DGGAMASNSA-N 280.165 3.682 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2-c2cn[nH]c2)CC1 907329627 NSTLEGDRQYXVBW-UHFFFAOYSA-N 281.359 3.762 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NN[C@H](C)C(F)(F)F 834997828 KOZCFLVXVQYCMP-OPRDCNLKSA-N 250.308 3.729 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(-c2ccccc2)o1 903106962 ZIJZJJRABYXATR-CYBMUJFWSA-N 266.344 3.901 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C1(C#N)CCC1 736006494 NUDOXVJZOXECSQ-UONOGXRCSA-N 276.424 3.649 30 20 CHED C#Cc1cccc(CN[C@@H](CC)c2ccc(N(C)C)cc2)c1 834904641 ZYCQZOKYWRGPOV-FQEVSTJZSA-N 292.426 3.975 30 20 CHED Cc1cc(C(F)(F)F)ncc1NC(=O)CCCCCC#N 589803309 ZTAAEFFRVMRTMP-UHFFFAOYSA-N 299.296 3.821 30 20 CHED Cc1c(CNC(=O)C#CC(C)(C)C)oc2ccc(F)cc12 837366297 VUQZXCCNNNRVRF-UHFFFAOYSA-N 287.334 3.546 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 584310679 BNNMPMOPPOWOAT-JTQLQIEISA-N 288.416 3.873 30 20 CHED C[C@@H]1CN(Cc2ccc(OCC#N)cc2)c2ccccc21 731211571 OISLKDGANMQXLZ-CQSZACIVSA-N 278.355 3.713 30 20 CHED C=CCC(C)(C)c1noc(C[C@H]2CNc3ccccc32)n1 904724993 USFUDACYZAOBHB-LBPRGKRZSA-N 283.375 3.675 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Oc1ccc(C#N)c(C)c1 839339511 IZWRBTUPWXYFBJ-SNVBAGLBSA-N 285.265 3.751 30 20 CHED Cc1cc(Cl)cc(/C=C2\CCc3nn(C)cc3C2=O)c1 834438319 NYSYRBDYVZTSTN-KPKJPENVSA-N 286.762 3.594 30 20 CHED CC(C)(C)CCC(=O)OCCCOc1ccc(C#N)cc1 738794801 HIURMUBOQQLHEQ-UHFFFAOYSA-N 289.375 3.697 30 20 CHED N#Cc1ccc(NC(=O)Cc2cc3ccccc3o2)cc1F 589800538 IUAFSTZJGZBALY-UHFFFAOYSA-N 294.285 3.625 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)c1ccccc1 730434411 LOFDQRGGZNSAHN-UEMWTREESA-N 255.317 3.581 30 20 CHED C=CCC1(NC(=O)/C=C\c2cnccc2C)CCCCC1 836957703 WRQCMZKYMOINMI-FPLPWBNLSA-N 284.403 3.798 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]2CCC[C@H]21 593985649 JHDLBZSYYLYWHZ-FHLIZLRMSA-N 296.414 3.528 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@@H](c2ccc(F)cc2)C1 595340487 WTYMHBGGAOXQOF-SJLPKXTDSA-N 280.346 3.880 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](CC)c1ccc(F)cc1F 835174432 FTXUJRSIRKXHFB-VHDGCEQUSA-N 296.313 3.550 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 597779334 LOAKCZCZXILLDI-DJIMGWMZSA-N 284.403 3.721 30 20 CHED C#CCN(C(=O)C[C@@H]1CCC[C@H](C)C1)C1CCCCC1 749797270 UNCAKJWBHZGTBV-JKSUJKDBSA-N 275.436 3.997 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccnc(-c3ccccc3)c2)C1 599087499 IDKUDGHGICWNBG-YJBOKZPZSA-N 291.398 3.921 30 20 CHED C[C@H]1CC=C(C(=O)[C@H](C#N)c2nc3ccccc3o2)CC1 835075920 AVHRJICILDFIDD-AAEUAGOBSA-N 280.327 3.750 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)Cc2ccccc21 748994087 FGYOTBXSHIDTQM-KPKJPENVSA-N 255.704 3.557 30 20 CHED CC(CCC(C)C)=NNc1nnc(-c2ccccc2)n1C 915968048 FFYABSMHVAZEDR-UHFFFAOYSA-N 285.395 3.706 30 20 CHED Cc1cc(F)ccc1NC(=O)CC1(C#N)CCCCC1 596646059 MUKLKFZOCQJEGW-UHFFFAOYSA-N 274.339 3.937 30 20 CHED N#Cc1ccc(CN[C@@]23CCC[C@H]2C3)c(C(F)(F)F)c1 597178872 QLXCBXKETFPISH-GXTWGEPZSA-N 280.293 3.609 30 20 CHED C#CCN(CC)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 919906367 YKFQDMDWADNMAN-INIZCTEOSA-N 286.419 3.829 30 20 CHED CCOC(=O)c1ccc(C#N)c(SCCC=C(C)C)n1 594885873 QBSZEMOYPYROQC-UHFFFAOYSA-N 290.388 3.578 30 20 CHED C[C@H](NC(=O)C1[C@@H]2CCCCCC[C@@H]12)c1cccc(C#N)c1 597318484 ATSDTDKIAXSNLR-IAOVAPTHSA-N 296.414 3.952 30 20 CHED C=CC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 599686235 KSUWXHVKUGFMTE-UHFFFAOYSA-N 298.213 3.961 30 20 CHED COc1ccc(CN[C@@H]2CCc3c(C)cccc32)cc1C#N 742370537 ZWBWBZKWJWFWLT-GOSISDBHSA-N 292.382 3.652 30 20 CHED C[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCCO1 594500799 SZXCPUQXRUWKCI-YOEHRIQHSA-N 286.419 3.535 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(CCC(C)C)cc1 749226787 FZUHUVXMNRXKEX-UHFFFAOYSA-N 272.392 3.762 30 20 CHED Cc1ccc(C=NN[C@H](C)c2ccc(C(C)C)cc2)nn1 841620468 XWIUGIOOHMQYCD-CQSZACIVSA-N 282.391 3.593 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc3ncccc3c2)c1 742382616 DUUZKRUBTBVAHT-UHFFFAOYSA-N 291.329 3.535 30 20 CHED C=CCN(C(=O)COc1cccc(C(C)C)c1)C(C)C 915155472 RQNUEGZNBHDFPA-UHFFFAOYSA-N 275.392 3.612 30 20 CHED Cc1ccc2c(C)cc(NN=C3CCO[C@@H]3C)nc2c1C 747755922 XQDQHWCTPWBJTH-CYBMUJFWSA-N 283.375 3.737 30 20 CHED CC(C)=CCCOC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 849805262 SPRPWXOQXAZFCO-JKSUJKDBSA-N 269.344 3.561 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H]2C[C@H]2C2CCC2)n1 844849288 CCIZPOGIFOXSGM-LSDHHAIUSA-N 294.354 3.652 30 20 CHED CC(C)[C@H]1CCCC1=NNc1nnc(-c2ccccc2)n1C 747753318 NHJVNMSLAORBGO-CQSZACIVSA-N 297.406 3.706 30 20 CHED C[C@@H](Cc1ccccn1)N[C@H]1CCCc2cc(C#N)ccc21 594516384 WBCCLLJFJQGZMQ-LIRRHRJNSA-N 291.398 3.551 30 20 CHED N#Cc1ccc(CCN[C@H]2CCC[C@@H]2CCCF)cc1 595056213 RSNCMHXUYDWTCT-SJORKVTESA-N 274.383 3.609 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1 742436259 IVKYJJGEVPSGGZ-RUDMXATFSA-N 280.323 3.622 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1ncccc1Br 841275601 GFARHYJDQMEEMU-SECBINFHSA-N 298.180 3.661 30 20 CHED CCCC[C@H](C)COS(=O)(=O)c1ccc(C)cc1 65743418 AOWAQOSWMSVFSV-ZDUSSCGKSA-N 270.394 3.527 30 20 CHED in-vitro C#C[C@@H](NC(=O)C1CC2(CCC2)C1)c1ccc(Cl)cc1 843604538 NOPQBFXTMGKPAJ-OAHLLOKOSA-N 287.790 3.711 30 20 CHED C=CCCC(=NNC(=S)Nc1ccccc1F)C1CC1 747739750 AMAAHAFSNBKCAO-UHFFFAOYSA-N 291.395 3.844 30 20 CHED C=CCOc1ccc(OC(=O)CSCCCC)cc1 742859962 FSWHSTMNQXFBEQ-UHFFFAOYSA-N 280.389 3.690 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2ccnc(Cl)c2c1 841366181 WOBVNNKYKVETHW-UHFFFAOYSA-N 286.762 3.876 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCN(c2ccccc2)C1 925069103 DEGWVKHAOAMISM-JKSUJKDBSA-N 285.435 3.573 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2cccc(F)c2o1 684938778 HLSDRWJFILNJEJ-LLVKDONJSA-N 261.296 3.656 30 20 CHED COc1ccccc1CN(C)CCCCC1(C#N)CCC1 929209996 WFWJOXJPMFJYMY-UHFFFAOYSA-N 286.419 3.991 30 20 CHED C=CCCCC(=O)OCCc1ccnc2ccccc12 851302651 ADXQLVDTMSNDDU-UHFFFAOYSA-N 269.344 3.677 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@H](CCC)c1ccc(Cl)cc1 857612855 FBZZRZGANIPDAS-IUODEOHRSA-N 277.795 3.704 30 20 CHED Cc1ccc2c(C(=O)OCc3ccc(C#N)cc3)c[nH]c2c1 920606574 CWOADOYTZMNACP-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C=C1CCN(C(=O)Nc2c(C)cccc2CC)CC1 929130472 UESKYWAJWHAJFI-UHFFFAOYSA-N 258.365 3.741 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)C(=O)c1ccccc1 759007077 JNUPZWZWHBYNFO-CYBMUJFWSA-N 272.344 3.569 30 20 CHED C#CCCCC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 759054356 MCKUOQMCZXZILD-QGZVFWFLSA-N 285.362 3.681 30 20 CHED CC1(C)CC(C(=O)[C@H](C#N)c2ccncn2)CC(C)(C)C1 850948340 RIUIEDRTBLBOCQ-CYBMUJFWSA-N 285.391 3.505 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@]1(c2ccccc2)CC1(C)C 850980067 ZTJOHHXRFFCZMY-WMLDXEAASA-N 271.360 3.590 30 20 CHED C=CCC1(NC(=O)N[C@@H]2CCCc3cccnc32)CCCC1 927382588 YQMMPSYEHWTHKS-OAHLLOKOSA-N 299.418 3.647 30 20 CHED C=CCN(CCF)Cc1cc(Br)ccc1F 759335039 YFXKTCRVBDVDJC-UHFFFAOYSA-N 290.151 3.546 30 20 CHED CC(C)c1ccc(C/N=C/c2cccc(O)c2O)cc1 920177214 DMIVECRQNOHQLI-WOJGMQOQSA-N 269.344 3.840 30 20 CHED CCCCCCCCC(=O)O[C@@H](C)c1nccn1C 851580941 MUBSGLFOLCOEIU-ZDUSSCGKSA-N 266.385 3.775 30 20 CHED C#C[C@H](CC)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 754388496 LATBCTMIBMTIEH-RDBSUJKOSA-N 296.197 3.625 30 20 CHED CCCC1(C(=O)OCc2ccc(F)c(C#N)c2)CCC1 759463602 ADYRPAXQKAQYIF-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C#CCN(C(=O)C(CC=C)CC=C)C1CCCCC1 758459363 DQUUYVXUARXOBU-UHFFFAOYSA-N 259.393 3.549 30 20 CHED C(=NOCc1nc2ccccc2s1)c1cccs1 852093940 SEIZVZVVCPXFTJ-UHFFFAOYSA-N 274.370 3.909 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)OCCCCC#N 756288494 VRNTUVXHRDYLKS-QXMHVHEDSA-N 277.751 3.980 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 934804378 QOIFZOPLUMNEGM-CHWSQXEVSA-N 291.366 3.506 30 20 CHED C#CC[C@H](NC(=O)C[C@H]1CC[C@H](C)C1)c1ccccc1 757597797 HVZPWZGWICPNCD-ZOBUZTSGSA-N 269.388 3.694 30 20 CHED C#CCCCCNC(=O)NCc1c(Cl)cccc1Cl 758730473 TWFISPWSQNEPBT-UHFFFAOYSA-N 299.201 3.596 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cc(C)ccc2OC)c1C 750911353 YYZFVDCIEWLOMF-CMDGGOBGSA-N 298.386 3.733 30 20 CHED CC(=NNc1cccc(Cl)c1)c1cc(O)cc(O)c1 753692324 HWVIKILCMUWCCD-UHFFFAOYSA-N 276.723 3.587 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C1\CC[C@@H](C)C1 753610390 MNALLZDBILAFAM-FQZGENGWSA-N 262.397 3.521 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 934666549 RSBPDHQUMJBTOV-GZBFAFLISA-N 293.432 3.639 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccoc1Cl 768953888 WWTMHDCQWYHVTE-UHFFFAOYSA-N 269.728 3.810 30 20 CHED C#CC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccccc1 767685253 GPQKONSKZGTQNZ-LJQANCHMSA-N 274.367 3.721 30 20 CHED C=C(Cl)CS[C@H](C)c1cn(-c2ccccc2)nn1 760301854 NZDINFRWRRZDDQ-LLVKDONJSA-N 279.796 3.814 30 20 CHED Fc1ccc(F)c(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)c1Cl 863105251 ZVMYDSQIBLGSQA-MWODSPESSA-N 284.737 3.730 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](CC)CC(F)(F)F)c1 760920028 YEHUZWKROHLORA-NSHDSACASA-N 284.281 3.520 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(C(C)C)nc2ccccn12 933766770 MJNRJGQYULZMRQ-GFCCVEGCSA-N 286.379 3.544 30 20 CHED C=CCCC(=NNc1ccc(F)cc1OC)C1CC1 761885703 WVOJZSCMVAMNKF-UHFFFAOYSA-N 262.328 3.978 30 20 CHED C=CCCC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 761350334 OIRSMEKMNOPQCO-NSHDSACASA-N 292.400 3.565 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCc2nc(C)ncc2C1 768515926 PYOFITICZBHIQB-WMLDXEAASA-N 289.467 3.981 30 20 CHED CC[C@@H]1C[C@@H](C)CN1Cc1ccc(N(C)CCC#N)cc1 769446921 DRXUMSCLHBPIRI-NVXWUHKLSA-N 285.435 3.657 30 20 CHED N#Cc1c(F)ccc(/C=C2\C(=O)Nc3ccccc32)c1Cl 761476024 PXFIDQVGFKQEID-XFFZJAGNSA-N 298.704 3.843 30 20 CHED Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C#N)C(C)(C)C 765631887 ZEMRRQUJZHRRQA-CYBMUJFWSA-N 298.342 3.745 30 20 CHED COc1cc(F)ccc1NN=C(C)c1occc1C 761885716 XNYQWCQZXVYCAD-UHFFFAOYSA-N 262.284 3.572 30 20 CHED C#CCCCNc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 766723630 FVFSUFHZRYXFLT-IYBDPMFKSA-N 298.430 3.630 30 20 CHED CCCCC[C@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 767906347 MSXOIKXICARRNC-ZWKOTPCHSA-N 286.419 3.636 30 20 CHED CN(Cc1ccn(-c2ccccc2)n1)CC(C)(C)CCC#N 768918573 LKNYLIWOMJLRNE-UHFFFAOYSA-N 296.418 3.634 30 20 CHED C[C@@H](C#N)CNN=C1CCC(C)(c2ccccc2)CC1 766714017 ULQGHUOWPMELCS-MBIQTGHCSA-N 269.392 3.624 30 20 CHED C=C[C@@H](C)NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 879136863 OOSUFWMYHMLVLB-SNVBAGLBSA-N 285.309 3.674 30 20 CHED N#Cc1ccc(COC(=O)c2sccc2C2CC2)s1 1118335758 RDBZSHSNBOAZCE-UHFFFAOYSA-N 289.381 3.916 30 20 CHED COc1cccc2cc(C=NN[C@@H]3C[C@H]4CC[C@H]3C4)oc12 774597774 SECCICBPQLSCDI-SLEUVZQESA-N 284.359 3.554 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)cc1F 776726055 GPAWCOKICPIQLP-QHHAFSJGSA-N 294.260 3.604 30 20 CHED C=CCC[C@H](CCC)NCc1ccccc1C(=O)O 874043566 PNSMLSXHQPPIPT-AWEZNQCLSA-N 261.365 3.609 30 20 CHED CC(=NNC1CCOCC1)C1(c2ccccc2)CCCC1 774387302 BMARUFBLRCIBOX-UHFFFAOYSA-N 286.419 3.643 30 20 CHED CC(=NNc1cccc2c1CCCC2)[C@@H]1CCCOC1 779770608 LSVWLJJPQWZVCQ-OAHLLOKOSA-N 272.392 3.780 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(OC2CCCC2)CC1 878577237 RBBQMYMKTPZSSI-UHFFFAOYSA-N 279.424 3.539 30 20 CHED N#Cc1ccc(C=NNc2cc(F)c(F)cc2F)c(F)c1 772843509 BVUQWZSMPBNQNU-UHFFFAOYSA-N 293.223 3.561 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(c3ccccc3)CCC2)c1 1129685203 LPQJVJMFWFLBGA-UHFFFAOYSA-N 290.366 3.927 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cc(F)ccc2C)c1C 777916534 KVVFQJRCNBYZTG-VQHVLOKHSA-N 286.350 3.863 30 20 CHED C#Cc1cc(F)c(NCc2ncc(C(C)(C)C)o2)c(F)c1 787909502 GQPLHMUEBZBGLF-UHFFFAOYSA-N 290.313 3.844 30 20 CHED N#Cc1cc(Cl)nc(N[C@@H]2CCO[C@H]2c2ccccc2)c1 1120951450 OPJUDKJLLDFAOP-CJNGLKHVSA-N 299.761 3.549 30 20 CHED C=CCCCCCOC(=O)c1cnc([C@@H]2CCCO2)s1 784421281 LNPULULYSZDMJP-LBPRGKRZSA-N 295.404 3.898 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnc(Br)cc1C 785599259 VZYFRAUAIAKDTO-CYBMUJFWSA-N 297.196 3.693 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@@H](C)C1CC1 783873188 UJKPCLXDMVSWBD-AWEZNQCLSA-N 273.376 3.569 30 20 CHED CC(C)=CCCC(C)=NN[C@H]1CCOC(C)(C)C1 780252474 JNSFUZYWCGQQKA-AWEZNQCLSA-N 252.402 3.656 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)O)cs1)C2 782200254 KWGVXJGNCNOYQQ-IZZDOVSWSA-N 284.336 3.577 30 20 CHED CC(CCC1CCCCC1)=NNCCc1ccccn1 789102944 KCNJBINCGKZXCI-UHFFFAOYSA-N 273.424 3.950 30 20 CHED C=CCCN(C)C(=S)N[C@H](CC)c1cccs1 786084015 UFQOHURTZUJWGU-LLVKDONJSA-N 268.451 3.582 30 20 CHED C/C=C(\CC)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 789662780 WEKKJDZTJWJIGC-NUQDLXRASA-N 296.292 3.743 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2cccc(Cl)c2)no1 899993944 RQZZKFSLUADSAC-GFCCVEGCSA-N 277.755 3.746 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1nc2ccccc2s1 786120511 NQEDQOCBLXKUBB-LLVKDONJSA-N 289.404 3.575 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(O)c2)c(Cl)c1 788358107 DODYEFWPLAOLQH-FNORWQNLSA-N 283.714 3.813 30 20 CHED C#CCCCN1CC[C@H](Sc2cccc(Cl)c2)C1 795575548 WMUOVIIMEVUBJH-HNNXBMFYSA-N 279.836 3.920 30 20 CHED CC(=NOCc1ccccc1)c1ccnn1-c1ccccc1 799106565 JKCBSKPVRQBFRE-UHFFFAOYSA-N 291.354 3.813 30 20 CHED C=C1CC(c2noc([C@H]3CCC(=O)c4ccccc43)n2)C1 896877817 QGVBHIHIXOVCEZ-AWEZNQCLSA-N 280.327 3.612 30 20 CHED CN(Cc1cccc2ccccc12)CC1(CC#N)CC1 1307417837 BZFHQJQJJYEREX-UHFFFAOYSA-N 264.372 3.965 30 20 CHED Clc1cccc(NN=C2CCC23CCOCC3)c1 799865548 RUCMKYIHLSTTJW-UHFFFAOYSA-N 264.756 3.699 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1sc(C)nc1C 793117756 YBTZBNJHIXWNAM-JTQLQIEISA-N 253.415 3.508 30 20 CHED CCSc1ccccc1OC(=O)c1cc(C#N)oc1C 797950555 XUIRNMAAGKEIEC-UHFFFAOYSA-N 287.340 3.791 30 20 CHED Cc1cncc(C(=O)/C=C/c2cc(C(=O)O)c(C)cc2C)c1 794945212 KXMZSQBFIQNUCU-SNAWJCMRSA-N 295.338 3.601 30 20 CHED C=CCCCCC[C@H](C)NCc1cc(CC)no1 793531069 CCNBNDFESKMTJS-ZDUSSCGKSA-N 250.386 3.852 30 20 CHED CCC[C@@H](NC(=O)Nc1cc(C#N)ccc1F)C1CCC1 1206061715 KKMGDHJTYKPXDX-CQSZACIVSA-N 289.354 3.788 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cc(Cl)c(N)c(Cl)c1 797587536 UZWZLYNPGWADON-SECBINFHSA-N 298.217 3.920 30 20 CHED Cc1ccc(C(=O)OCCCCC(C)(C)C#N)c(N)c1C 796118720 WIQWEHIIXDQKQI-UHFFFAOYSA-N 288.391 3.763 30 20 CHED CCN(C(=O)c1ccc(CC#N)cc1)c1cccc(C)c1 58243012 RGWSQDKHXLMRSV-UHFFFAOYSA-N 278.355 3.728 30 20 CHED CCCN(Cc1ccc(F)cc1)c1nccc(C)c1C#N 1162297407 MOGWNVDBXQIQKD-UHFFFAOYSA-N 283.350 3.817 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1cccc(C#N)c1 75912374 USWHVEHADOKHJL-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C=C(Br)CNCc1ccc(C2CCC2)cc1 393921552 ULUGRXOQIRMKGM-UHFFFAOYSA-N 280.209 3.952 30 20 CHED Cc1nnc(-c2ccc(Oc3cccc(F)c3C#N)cc2)o1 1329042894 VQUJOFDSRZUEHD-UHFFFAOYSA-N 295.273 3.848 30 20 CHED CC(C)[C@@H](C#N)C=NNc1cc(Cl)nc(Cl)c1 1326616888 ZXNKDNLPYULBSS-QMMMGPOBSA-N 271.151 3.582 30 20 CHED CC1(C)CCC[C@H](NCc2cccc(F)c2C#N)C1 1180942780 LMEUXSFFLQHOPM-ZDUSSCGKSA-N 260.356 3.756 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)c1cccc(C#N)n1 81619467 JQLQLZCKHSQJKJ-NSHDSACASA-N 271.751 3.804 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1scnc1C(C)C 1337760176 LXMVMFHIMAUCCA-LBPRGKRZSA-N 278.421 3.837 30 20 CHED C=C(C)CCC(=O)Nc1c(-c2ccccc2)n[nH]c1C 1335862260 QIODBNATOPHBMZ-UHFFFAOYSA-N 269.348 3.680 30 20 CHED C=C(C)CCC(=O)N[C@@H](CCc1ccccc1)C(F)F 1336035672 RFICZRMORQUNPC-AWEZNQCLSA-N 281.346 3.725 30 20 CHED C#Cc1cccc(NCc2ccc(C(F)(F)F)cn2)c1 766762708 HSCBLFZODZFJSP-UHFFFAOYSA-N 276.261 3.694 30 20 CHED CC(C)(NC(=O)CC#Cc1ccccc1)c1ccc(F)cc1 1332638971 NHMZZOQAQYUHNZ-UHFFFAOYSA-N 295.357 3.619 30 20 CHED N#CC1(COc2cc(Cl)c([N+](=O)[O-])cc2Cl)CC1 1332763823 DROYQOFGHCRSTI-UHFFFAOYSA-N 287.102 3.584 30 20 CHED CN(c1nc(Cl)c(C#N)s1)[C@H]1CCc2ccccc21 787891398 CPJQRCDSXIMBAR-NSHDSACASA-N 289.791 3.792 30 20 CHED N#Cc1cccc(N(C(=O)C[C@@H]2CC[C@H]3C[C@H]23)C2CCC2)c1 1331919131 XJDCKZIMBDZSPA-MPGHIAIKSA-N 294.398 3.880 30 20 CHED Cc1ccc(CNc2ccc(F)cc2C#N)cc1F 97635294 PZAWBEPSWPIXBY-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCCCCCCCNC(=O)N1CC[C@@H]2OCCC[C@H]2C1 1191051330 IFTCYRPFOKURPY-HOTGVXAUSA-N 296.455 3.557 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc(C(F)F)cc2F)C1 1342711673 SGRFDUHKJNJLNJ-SCZZXKLOSA-N 283.249 3.612 30 20 CHED CCOc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1 1264139978 LFROKRXOSOKVDY-QGZVFWFLSA-N 294.354 3.721 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1cccc(C2CCC2)c1 1345645911 BZJPOZSKIVFZHJ-MRXNPFEDSA-N 293.370 3.661 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N(CC)[C@@H](C#N)CC 1289299972 XSWWOYAPDDWXQT-HUUCEWRRSA-N 264.413 3.744 30 20 CHED Cc1csc(C(=O)N(C)c2cc(Cl)ccc2C#N)c1 1516251590 ZQURNHHGWBEYCF-UHFFFAOYSA-N 290.775 3.858 30 20 CHED C=C[C@@H](CC)CC(=O)[C@H](C#N)c1nc2ccccc2o1 1515838142 RVQWPMNWGFQKIZ-RYUDHWBXSA-N 268.316 3.606 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(C#N)cc1F 1457367994 GODZNMMVKXHZLT-ABAIWWIYSA-N 288.366 3.642 30 20 CHED CC(C)C[C@@H]1CCCN1CCc1ccc(C#N)cc1 1459413674 GRZLUEVWDHUBQY-KRWDZBQOSA-N 256.393 3.611 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 1532171190 FFAUKUFVKFLDFS-MLGOLLRUSA-N 284.403 3.811 30 20 CHED O=C(O)CCC[C@@H]1CCCC(=NOC/C=C\Cl)C1 1601979763 BPEHGRAGQYXOQW-KBGJOTCSSA-N 273.760 3.557 30 20 CHED Cc1cc(NC(=O)CC2CCC(C)(C)CC2)ncc1C#N 1611361156 RQUXQUBKXJGZMQ-UHFFFAOYSA-N 285.391 3.807 30 20 CHED C[C@@H](Nc1nc(C#N)c(Cl)s1)c1ccc(Cl)cn1 1612357585 KDTPUPQVJCTNQJ-ZCFIWIBFSA-N 299.186 3.890 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)Nc1cc(F)cc(C#N)c1 1626924920 DVZDCOOPVCKLSD-HNNXBMFYSA-N 289.354 3.740 30 20 CHED N#Cc1ccc(CCN2CCC[C@H]2C2CCCC2)cc1 1559493724 KYENBMFRVDJMLD-SFHVURJKSA-N 268.404 3.755 30 20 CHED C=CC[C@H](Nc1ccc(-c2csc(C)n2)cc1)C(=O)O 1588751051 JXELIADQQDACIH-ZDUSSCGKSA-N 288.372 3.560 30 20 CHED C[C@H](CC#N)NC(=O)c1cc2cc(Cl)ccc2s1 1585744695 LHOXJEPWDCJTPI-MRVPVSSYSA-N 278.764 3.587 30 20 CHED CCC(CC)(CN=c1cc[nH]cc1C#N)c1ccccc1 1655198740 OQDCFKPELRHHHP-UHFFFAOYSA-N 279.387 3.545 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2cccc(F)c2)c1 1597280518 DVYCSRBIVVLPOJ-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C[C@@H]1Cc2ccccc2C(=O)/C1=C/c1cccc(C(=O)O)c1 1776665873 HLGGVRDPWJUUGA-PBSOMRJOSA-N 292.334 3.843 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCC[C@@H](CC)C1 1690328883 PFMGEIOWWHWUDQ-CYBMUJFWSA-N 296.846 3.780 30 20 CHED CCC(C)(C)C(=O)Nc1ccc(C#N)c(Cl)c1 5501272 NQWDNGCSJWYYGU-UHFFFAOYSA-N 250.729 3.586 30 20 CHED CSc1ccc(NCc2ccc(C#N)cc2)cc1 19906410 BNRIGLOWTGYRQK-UHFFFAOYSA-N 254.358 3.892 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(C#N)c1 161220817 IOYPHHPNWLRVRL-HOCLYGCPSA-N 270.376 3.599 30 20 CHED C=C(C)CNC(=O)CCc1cccc(OC2CCCC2)c1 160993405 ZXEINQPTEOTWFB-UHFFFAOYSA-N 287.403 3.633 30 20 CHED C=CCN(CCc1ccccc1)C(=O)OC(C)(C)C 165388673 ADORZBHHPGZHGJ-UHFFFAOYSA-N 261.365 3.652 30 20 CHED Cc1cc(F)ccc1COc1ccc(C#N)c(F)c1 167982840 QGZDEEYJGWCPNB-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C1 151529827 WIFHFGQGJAKZPK-JHJVBQTASA-N 281.359 3.565 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1c(F)cc(C#N)cc1F 153155313 ZBWDGAZDLFOSSD-LLVKDONJSA-N 294.345 3.925 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1SC(C)C 157597339 VWMWWIIQIHFASH-UHFFFAOYSA-N 264.394 3.837 30 20 CHED CC#CCCSc1nnc(CCCc2ccccc2)o1 155302945 JYMZBHZJALAJLA-UHFFFAOYSA-N 286.400 3.750 30 20 CHED COc1ccccc1NCc1ccc(O[C@H](C)C#N)cc1 155342507 KDTWXCYUBIOUHD-CYBMUJFWSA-N 282.343 3.598 30 20 CHED N#Cc1ccc(N[C@H](C[C@H]2CCOC2)c2ccccc2)nc1 157955577 VDBFQQCPPFGJEC-RHSMWYFYSA-N 293.370 3.533 30 20 CHED Cc1ccnc(CNc2ccccc2S[C@H](C)CC#N)n1 339409283 FZJFVZKOLGIDEK-CYBMUJFWSA-N 298.415 3.791 30 20 CHED C=CCCCCCCNc1ncnc2ncccc12 804601275 VMBRMZRMEIXBCT-UHFFFAOYSA-N 256.353 3.573 30 20 CHED N#Cc1ccc(CNc2cccc(OC(F)(F)F)c2)o1 155953119 VVNVVYSFIJJHMU-UHFFFAOYSA-N 282.221 3.662 30 20 CHED N#Cc1ccc(COc2ccccc2)c(Br)c1 260762562 HMUKGUYEDLCFEI-UHFFFAOYSA-N 288.144 3.900 30 20 CHED CN(C)c1ccc(NCc2cccc(C#N)c2)cc1Cl 37781243 AOSIYYIXKVZYPU-UHFFFAOYSA-N 285.778 3.890 30 20 CHED Cc1noc(C)c1[C@H](C)NCc1ccc(C#N)cc1Cl 162762530 CEKYUZIZTSAKLP-VIFPVBQESA-N 289.766 3.667 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCc1cc(Cl)cc(Cl)c1 163150611 CAKSXDMJBBHZDW-SNVBAGLBSA-N 299.201 3.687 30 20 CHED N#CCCCCN1CCC(Cc2ccccc2)CC1 42307110 ILTJGUUGEXVFRV-UHFFFAOYSA-N 256.393 3.635 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)CC 279919896 KJGCNCHQHBDTMP-CQSZACIVSA-N 260.381 3.573 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 182008244 UOAAJLFJIOLBEY-HUUCEWRRSA-N 272.392 3.984 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1F 307968169 UMLRYVWRIFTSOV-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)CCC(C)(C)C)n1 308169701 PFCKYOABHKLXRJ-NSHDSACASA-N 260.385 3.537 30 20 CHED C[C@@H](c1ccc(Cl)cc1)N(C)CC(C)(C)C#N 405141561 UUVYNEUUXUNISL-NSHDSACASA-N 250.773 3.883 30 20 CHED N#Cc1ccc(CNCC2CCC(F)(F)CC2)s1 337284915 JTWOLRNUWIYJDX-UHFFFAOYSA-N 270.348 3.535 30 20 CHED C=CCCCCNCc1ccc(OC)cc1Cl 472056250 SPLYHRVBHNNVLE-UHFFFAOYSA-N 253.773 3.795 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1Cl 717673592 BCYUJTHTNCOVGL-UHFFFAOYSA-N 296.754 3.723 30 20 CHED N#CCOc1ccc(CNCC2CCCCCC2)cc1 389485254 QSYGWGJLZYXWAN-UHFFFAOYSA-N 272.392 3.649 30 20 CHED C[C@H](CO)N(CCCCC(C)(C)C#N)Cc1ccccc1 880375690 IQKULXRVOIINRU-MRXNPFEDSA-N 288.435 3.589 30 20 CHED N#Cc1cc(NC(=O)[C@H]2CC23CCCCC3)ccc1F 531656789 MDVRIMIPMJAIBG-CYBMUJFWSA-N 272.323 3.606 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccc(OC)cc1 11047902 NGKRUGASDYOIRF-SFHVURJKSA-N 280.371 3.808 30 20 CHED Cc1cccc(OCCN[C@@H](C)c2ccc(C#N)cc2)c1 42896063 HZYFKHGQDMZBNC-HNNXBMFYSA-N 280.371 3.596 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(OC(C)C)cc2)n1 43399171 IWFBFUCWLUTPNM-UHFFFAOYSA-N 267.332 3.793 30 20 CHED Cc1cccc(CNc2nc3c(cc2C#N)CCCC3)c1 43409448 KZKGWQXLNKAYKK-UHFFFAOYSA-N 277.371 3.753 30 20 CHED N#Cc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 43467741 YLQKZNHQNFOKPM-UHFFFAOYSA-N 295.386 3.649 30 20 CHED N#Cc1cc(NCCOc2ccccc2F)ccc1Cl 48411956 AIMLAPOPISUODI-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=CCOc1cccc(NC(=O)c2ccsc2)c1 48927089 HCURATOMOQVMJQ-UHFFFAOYSA-N 259.330 3.565 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc(F)c(Cl)c2)c1 53156887 DUKFTYABJDWUGT-UHFFFAOYSA-N 292.716 3.780 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cccc(OCC)c1 55768532 WNLFPPFYGNMJAA-UHFFFAOYSA-N 297.354 3.902 30 20 CHED C=CCN(C(=O)c1cccc(C)c1)c1ccccc1 60525502 LCTGFEVBMXWWNZ-UHFFFAOYSA-N 251.329 3.828 30 20 CHED N#Cc1cc(NCc2cccs2)nc2ccccc12 68769906 IYEKIJUMDPQQKD-UHFFFAOYSA-N 265.341 3.780 30 20 CHED N#Cc1cc(NCc2ccsc2)nc2ccccc12 68770549 GMMHDFPLJHIVCX-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CC[C@@H](C)[C@H](C(=O)NCCCCC#N)c1ccccc1 70940614 MXQJNDALPYSJRG-ZBFHGGJFSA-N 272.392 3.626 30 20 CHED C/C(=C/c1ccccc1)CN(CCC#N)CC1CC1 93091450 CIEUOWLMCMUBFX-QINSGFPZSA-N 254.377 3.716 30 20 CHED C=CCN(CCc1ccccc1)Cc1ncccc1C 93168565 GTYNMEBUASBUEU-UHFFFAOYSA-N 266.388 3.621 30 20 CHED CCN(Cc1ccccn1)c1ccc(C#N)c(Cl)c1 94915449 QUZOJJOVUYPKLV-UHFFFAOYSA-N 271.751 3.633 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1F 96861775 KRIUHXZEXGDZPK-VURMDHGXSA-N 281.286 3.602 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2ccccc2C#N)C1 102831015 UUJFPDMPKZBMLC-STQMWFEESA-N 256.349 3.713 30 20 CHED Cc1cccnc1CNc1cc(Cl)ccc1C#N 112742224 GYQLZVJJYBGGKD-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1cccc([C@@H](C)NC(=O)C2(C#N)CCCCC2)c1C 115286069 GVEDEJZTYBCDRB-OAHLLOKOSA-N 284.403 3.955 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](CC)Sc1ccccc1 116849803 JNGFSPLZGAWBJA-TZMCWYRMSA-N 263.406 3.638 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2[nH]c(C)cc2c1 117006379 BEESWPQWABMHRP-JTQLQIEISA-N 257.337 3.562 30 20 CHED N#CCCN(Cc1ccccn1)CC1CCCCCC1 119136404 UUONTYKERPFARQ-UHFFFAOYSA-N 271.408 3.768 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](Cc1ccccc1)C(C)C 119144137 LXHZRJBKZDBPEG-WBVHZDCISA-N 286.419 3.509 30 20 CHED C#CCCCCC(=O)NC(C)(C)c1cccc(Cl)c1 120181803 HLOJKLHEIMBVMG-UHFFFAOYSA-N 277.795 3.885 30 20 CHED CC(C)N(C(=O)c1sccc1C#N)c1ccccc1 128106624 LQSCUMVTTFJWRC-UHFFFAOYSA-N 270.357 3.675 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(C)cn1)c1ccccc1 130192194 RPWZRZTZVDLVDU-CQSZACIVSA-N 266.344 3.688 30 20 CHED C=CCC[C@@H](C)NCc1ccccc1CN(CC)CC 130531759 WQAXJGRDOIQXRH-MRXNPFEDSA-N 274.452 3.973 30 20 CHED CC[C@H](CC#N)NCc1cc(C)c(Br)s1 135039563 MPPIXTMYYRAMDA-SECBINFHSA-N 287.226 3.601 30 20 CHED N#Cc1c(F)cccc1OCc1nc2ccccc2s1 135465911 IDULXCSTYKKFHT-UHFFFAOYSA-N 284.315 3.886 30 20 CHED C=C[C@H](Cc1nc(-c2ccccn2)no1)c1ccccc1 136300487 XAOUVJCVXAMNBA-CYBMUJFWSA-N 277.327 3.644 30 20 CHED C[C@H]1C[C@H](NCC(C)(C)CCC#N)CN1Cc1ccccc1 151309285 RWZLROODOFZRDY-WMZOPIPTSA-N 299.462 3.569 30 20 CHED Cc1cc(OC[C@@H](O)c2ccc(C#N)cc2)ccc1Cl 152870064 QZDTVZMBVBNIPU-MRXNPFEDSA-N 287.746 3.633 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CCCSC(C)(C)C)C1 155131584 SMFWLPWTZLEUDX-BBRMVZONSA-N 296.480 3.887 30 20 CHED Cc1ccc(C)c(COc2cccc(F)c2C#N)c1 155623300 GFZDCIWNPVEBGA-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC1(c2ccccc2)CCN(c2ncccc2C#N)CC1 157578104 VEGCRWMDPRKOLE-UHFFFAOYSA-N 277.371 3.511 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(CC#N)cc1 159780166 JUCLOBKAYUAOCY-CABCVRRESA-N 296.395 3.865 30 20 CHED N#Cc1ccc(CNc2cccc(-c3ncco3)c2)s1 160291756 YLRJUFTWGCMDSN-UHFFFAOYSA-N 281.340 3.887 30 20 CHED CC(C)c1ccc(-c2noc(CN(C)[C@@H](C)CC#N)n2)cc1 161753280 WVDPXYKTMOTBFO-ZDUSSCGKSA-N 298.390 3.594 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)C(C)C 171912174 ZEUXWOVKNQONBZ-JTQLQIEISA-N 295.766 3.808 30 20 CHED C#Cc1cccc(NC(=O)N(CC)C[C@@H](C)CC)c1 175149005 BSLSZEGVSHJQEI-ZDUSSCGKSA-N 258.365 3.568 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)CCC[C@@H]1C 175745381 LVXNVXOZQAHCGT-JSGCOSHPSA-N 285.391 3.909 30 20 CHED CO[C@@H](C)c1nc(CO/N=C/c2ccc(F)cc2)cs1 177534056 SVMIRBGBTDLSBF-NPVNMOQSSA-N 294.351 3.540 30 20 CHED C=CCCSCC(=O)N(Cc1ccc(C)cc1)C1CC1 177747471 BUUDJYGLYREZLQ-UHFFFAOYSA-N 289.444 3.795 30 20 CHED CCC[C@H](NCCCCC#N)c1cccc([N+](=O)[O-])c1 178645781 LNQZABHOVRBQHU-HNNXBMFYSA-N 275.352 3.719 30 20 CHED C=CCCCN[C@H](C)c1cc(OC)c(OC)cc1C 179628493 ORPCRQUHJVKDKU-CYBMUJFWSA-N 263.381 3.629 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)cc1 181310946 IIXZXRDIBXTAFG-KRWDZBQOSA-N 293.370 3.562 30 20 CHED C=CCC[C@H](NC(=O)c1cnn(CCC)c1)c1ccccc1 181447451 XGUPQEWAEWUMHM-KRWDZBQOSA-N 297.402 3.730 30 20 CHED Cc1ccnn1-c1ccccc1NCc1ccccc1C#N 181904201 QJQKMHCHLSYSNK-UHFFFAOYSA-N 288.354 3.665 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1ccccc1O[C@H](C)C#N 182090451 KVUDNNYGGZTTBL-GFCCVEGCSA-N 298.317 3.677 30 20 CHED CCc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 182094859 XTTNEGUABIIMKH-ZDUSSCGKSA-N 294.354 3.792 30 20 CHED CCCCOc1ccc(CN[C@@H](CC)CC#N)cc1OC 184097678 HLHUNBAVAYRGRI-HNNXBMFYSA-N 290.407 3.656 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc2ccccc12 184863636 VPADUTGUFJUZTC-UHFFFAOYSA-N 251.329 3.828 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1 184882174 KXWGJQLMCHCNBY-UHFFFAOYSA-N 269.266 3.693 30 20 CHED C#C[C@@H](C)NC(=O)c1oc2c(ccc3ccccc32)c1C 185357045 PNDWQCRFROECDI-LLVKDONJSA-N 277.323 3.646 30 20 CHED CCN(CC1CCC(C(F)(F)F)CC1)C[C@@H](C)C#N 185499441 QXODNCXVOGVAQW-HIFPTAJRSA-N 276.346 3.837 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@]1(C)C(C)C 185713727 JQOWMJHCTHXRRV-MJGOQNOKSA-N 298.430 3.977 30 20 CHED Cc1cccc(C(C)(C)CN[C@@H]2CCC[C@H](C#N)C2)c1 185804202 VMGGVBVGKYTFPM-DOTOQJQBSA-N 270.420 3.945 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc(Cl)ccc1C 187820026 MCGZDCSTIOPDMQ-HNNXBMFYSA-N 281.783 3.816 30 20 CHED C[C@H](CCC#N)Sc1nnc(-c2cccs2)o1 188240003 BSBROUDKXGTMLA-MRVPVSSYSA-N 265.363 3.582 30 20 CHED COc1ccccc1-c1nnc(S[C@@H](C)CCC#N)o1 188245194 SJGZHKNWMUBUKG-JTQLQIEISA-N 289.360 3.530 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 188625235 VWNHTQNTEXIBAS-QGZVFWFLSA-N 287.359 3.572 30 20 CHED CCCNc1ccccc1NC(=O)c1cccc(CC#N)c1 190135583 AUJQQLLBGYXOHK-UHFFFAOYSA-N 293.370 3.827 30 20 CHED C#CCCCC(=O)Nc1cc(C)c(C)c2ncccc12 192359464 RESSQTVPUFRXSZ-UHFFFAOYSA-N 266.344 3.594 30 20 CHED N#Cc1ccc(/C=C/c2ccc(OC(F)F)cc2)nc1 193445446 PBWPXMCZXBMROW-ORCRQEGFSA-N 272.254 3.725 30 20 CHED CC[C@@H](C)N(C)CCNc1ccc(C(F)(F)F)c(C#N)c1 218072063 XAAWIIRUOQZZIG-LLVKDONJSA-N 299.340 3.719 30 20 CHED C#CCOc1ccccc1CNCc1ccc(CC)s1 218216311 QLTFUBODGVQRTC-UHFFFAOYSA-N 285.412 3.612 30 20 CHED C#CCSCCNC1CC(c2cccc(Cl)c2)C1 228824161 AWQJGRHZWMTWBP-UHFFFAOYSA-N 279.836 3.542 30 20 CHED CCC1(C)CCN(Cc2cc(F)ccc2C#N)CC1 229958543 MNFPQCDYNXUJQL-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H]1c1cccc(Cl)c1 246054312 VDBCLLLKSXQVTD-HOTGVXAUSA-N 279.811 3.804 30 20 CHED C=CCC[C@H](O)CN1CCCCC[C@H]1c1ccco1 247622798 UALNYHOAYCMXIE-GJZGRUSLSA-N 263.381 3.524 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 248887943 FEIQLHVPBMRVQX-LZLYRXPVSA-N 287.403 3.625 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cnn(-c2ccccc2)c1 255054808 PEPLZLRQYBISHV-FPLPWBNLSA-N 278.311 3.670 30 20 CHED N#Cc1cc(N=Cc2cc3ccccc3nc2O)ccc1F 255425854 REVPTEILWITJKL-UHFFFAOYSA-N 291.285 3.702 30 20 CHED CCCCCCCC(=O)N(CCC#N)Cc1ccccn1 264028101 JRWBDFAROHDORW-UHFFFAOYSA-N 287.407 3.684 30 20 CHED 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270.254 3.531 30 20 CHED Cc1cc(F)cc(C(=O)Nc2sc(C)c(C)c2C#N)c1 443814582 HYUDIYLRNRYXNJ-UHFFFAOYSA-N 288.347 3.936 30 20 CHED CCOCc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 443988471 ZWIVAVZLGQCNEP-UHFFFAOYSA-N 294.398 3.693 30 20 CHED C=CC[C@@H]1N(CCC(=O)NC2CCCC2)CCCC1(C)C 444776042 AUMPQTRQWODVQQ-INIZCTEOSA-N 292.467 3.502 30 20 CHED C=CC[C@@H]1N(C(=O)NCCC2CC2)CCCC1(C)C 445145924 BBYPZMRTSXZFCB-AWEZNQCLSA-N 264.413 3.563 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1ccc(F)cc1C#N 445880350 MMCXOLGFJBUTQQ-CYBMUJFWSA-N 288.288 3.764 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1)C1CC1 446632671 VDAKHMMABJIVQW-DLBZAZTESA-N 298.430 3.758 30 20 CHED C=CCSCCNC1CCC(OC2CCCC2)CC1 449131691 OWHKGNNVNQRTPP-UHFFFAOYSA-N 283.481 3.766 30 20 CHED Cc1csc([C@H](NC2CCC(C)(C#N)CC2)C2CC2)n1 449170025 FGJLTQYKIKEULV-NPCAHTBFSA-N 289.448 3.965 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CCC(=O)CC1 450453474 PKEBDVCWZFXZNC-RTBURBONSA-N 296.414 3.517 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(F)c(C)c1 452317021 DPMKQRNGDDWRSL-MLGOLLRUSA-N 263.356 3.914 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](CCC)c1ccccc1 452774556 FNXRYXOZDRGWAO-HNNXBMFYSA-N 259.393 3.899 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1csc(Cl)c1 453379355 ZBLKHIADEGZPAI-WCQGTBRESA-N 271.813 3.786 30 20 CHED N#CCCCNC(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 454789630 PXIASHCCNBIPOZ-DLBZAZTESA-N 299.418 3.563 30 20 CHED C=C(C)CCNC(=O)N(CCC)CCc1cccc(F)c1 455305579 FDXZXWMCYJROKL-UHFFFAOYSA-N 292.398 3.756 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1ccc(F)cc1 455514942 ASPOLBGRFLDSDK-HNNXBMFYSA-N 276.355 3.638 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(CC#N)c1 455923028 RWWLXEDWYQNPMI-UKRRQHHQSA-N 285.391 3.700 30 20 CHED C=CCC1(CNC(=O)C(C2CC2)C2CC2)CCCC1 456484413 JOGAMDOKCLTUAZ-UHFFFAOYSA-N 261.409 3.675 30 20 CHED C=C[C@@H](CC(=O)NCc1cnc(C2CC2)o1)c1ccccc1 456765223 RMDKZUMBHFNDNH-ZDUSSCGKSA-N 296.370 3.528 30 20 CHED C=C(C)CN(CC)C(=O)NC1CCc2ccccc2CC1 459062300 JARAYWDJDRRUEF-UHFFFAOYSA-N 286.419 3.542 30 20 CHED CSc1ccc(C)c(NC(=O)NCC(C)(C)CC#N)c1 459477145 FUWYCVUMBPRSLY-UHFFFAOYSA-N 291.420 3.778 30 20 CHED CC(C)c1ccc(C[C@@H]2CCN(C(=O)CCCC#N)C2)cc1 462486986 IUQQTAGANUHSJI-KRWDZBQOSA-N 298.430 3.895 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2c(F)cccc2Cl)C1 463285689 TWTUKLDTXIUCMC-GHMZBOCLSA-N 266.747 3.651 30 20 CHED C=CCOc1cccc(CN[C@@H]2C[C@](C)(OC)C2(C)C)c1 465005877 ZZVPENKBLAWYKM-AEFFLSMTSA-N 289.419 3.545 30 20 CHED N#Cc1cccc(CCNCc2c(F)cccc2Cl)c1 466418103 VPHAZRCQWLSSGS-UHFFFAOYSA-N 288.753 3.683 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 466440046 YPNNGKSKQYUSQC-SFHVURJKSA-N 285.431 3.968 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cccc2cc[nH]c12 466785645 CCLWUWVEQXCHGO-CYBMUJFWSA-N 285.391 3.712 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2CC=CCC2)CCCC1(C)C 470309237 PRVZHRKLUZPXGH-LSDHHAIUSA-N 261.409 3.936 30 20 CHED C=CCCCCNC(=O)CCOc1ccc(F)cc1Cl 471666906 IRIKVSXCTWNLAX-UHFFFAOYSA-N 299.773 3.721 30 20 CHED C=CCCCC(=O)NC1(Cc2ccccc2)CCC1 472964247 ROZXITNTMNWQEH-UHFFFAOYSA-N 257.377 3.624 30 20 CHED CCCn1c(-c2ccc(C#N)o2)nc2ccc(F)cc21 473446972 FRCURXFAWRJUOA-UHFFFAOYSA-N 269.279 3.717 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 473537794 CSRWOBZXVBQNIE-CRAIPNDOSA-N 294.483 3.606 30 20 CHED C=CCCCCNC(=O)c1c[nH]cc1-c1ccc(F)cc1 474578688 LTQDTWONXALAOA-UHFFFAOYSA-N 286.350 3.907 30 20 CHED C=CCOCCCSCc1cc(C)ccc1OC 475993853 IELMXZFHSHHYII-UHFFFAOYSA-N 266.406 3.830 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C1CC1 477195653 VTQNGWGEHBGHKA-AWEZNQCLSA-N 284.403 3.589 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1ccc(F)cc1C#N 481181437 WDYZAQXLNIMFDF-BFQNTYOBSA-N 260.356 3.612 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)CC1 484137063 UPHXDYRUPHQGSM-NEPJUHHUSA-N 289.341 3.922 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(C)c(Br)c(C)c1 494853556 NLVAIQIXSFTSPJ-SNVBAGLBSA-N 297.196 3.762 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H]2CCCCC(F)(F)C2)C1 495004326 LLYKPOMEDLQEPC-RDBSUJKOSA-N 270.367 3.874 30 20 CHED C[C@@H](CN(CC#N)C1CC1)c1ccc(C(F)(F)F)cc1 501104168 ZEJBDPCOSKDQMA-NSHDSACASA-N 282.309 3.797 30 20 CHED CCCC[C@H](C)C(=O)Nc1cc(C#N)ccc1OCC 503165519 AJGPFJYVBXIFDP-LBPRGKRZSA-N 274.364 3.722 30 20 CHED C=CCCCN(C)c1nnc(C(C)(C)c2ccccc2)n1C 508193983 RWSMIKHEZFQGEB-UHFFFAOYSA-N 298.434 3.543 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCC2)cc(C)c1Cl 508640526 OVNLINGKGYJGSA-UHFFFAOYSA-N 276.767 3.979 30 20 CHED C=C(C)CCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C 509259078 CZKUOKKJNGKYDT-UHFFFAOYSA-N 262.353 3.771 30 20 CHED C=CCCC(=O)N(CCCC)C1CC(C)(C)NC(C)(C)C1 518946471 WUUPJBJZSNIRBB-UHFFFAOYSA-N 294.483 3.891 30 20 CHED C=CC1CCN(CCOc2ccc(Cl)cc2)CC1 523606769 UACSTMZSBJZQHF-UHFFFAOYSA-N 265.784 3.617 30 20 CHED COC(=O)c1ccc(SCCCC(C)(C)C#N)cc1 530867944 GEVUVIDCCKRGAB-UHFFFAOYSA-N 277.389 3.895 30 20 CHED CC1CC(C#N)(C(=O)N(C)c2cccc(C(C)C)c2)C1 531554635 KPKJSZIOCATAAW-UHFFFAOYSA-N 270.376 3.713 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C2(C#N)CC(C)C2)C1 531821787 VXDKCZIKWPWBMS-BYGOXVSRSA-N 296.414 3.639 30 20 CHED CN(Cc1cccs1)c1ccc2cc(C#N)ccc2n1 536767490 NWRVKFDDQLBIEV-UHFFFAOYSA-N 279.368 3.804 30 20 CHED C=CCCC[C@H](C)NC(=O)NCC1(CCC)CC1 539392249 TZDJUSWSABTSBK-ZDUSSCGKSA-N 252.402 3.611 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H]3CCC[C@@H]32)c1C#N 541280613 VDMPENNMYBWIBT-RISCZKNCSA-N 275.783 3.684 30 20 CHED CC(C)(C)CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 544324601 WIGLFYIRKUEKJU-UHFFFAOYSA-N 299.418 3.668 30 20 CHED C=C[C@H](Cc1nc(-c2ccc(C)nc2)no1)c1ccccc1 544959900 FWZGAWUSNXJHKF-CQSZACIVSA-N 291.354 3.952 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccnn1CCC(C)C 547669586 LNNWOVCTLPJWOB-CQSZACIVSA-N 292.427 3.796 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)Nc1ccc(F)cc1C#N 549194962 PQIUXLVJOFOGRP-HBYGRHMLSA-N 289.354 3.644 30 20 CHED Fc1ccc(C#CCN2CC[C@@H](c3ccccc3F)C2)cc1 549813506 PFUYZAUCCPECQE-MRXNPFEDSA-N 297.348 3.806 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H](c2ccncc2)C1 552034095 DLVYQDAHTVIUSX-KRWDZBQOSA-N 284.403 3.556 30 20 CHED C=CCn1cccc1C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 553337751 UGYKMMJCEHMERW-CRAIPNDOSA-N 294.398 3.897 30 20 CHED C=CCC(C)(C)CN[C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 556218666 YLTOWVOOQIEFLX-ZNMIVQPWSA-N 281.440 3.546 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1c1nccc(C#N)c1Cl 557605302 JNKDSVAOYTWRCD-SWLSCSKDSA-N 297.789 3.989 30 20 CHED CCc1ccc([C@@H]2CCCN(c3cnccc3C#N)C2)cc1 557760417 BNZMZFVDHGYHEJ-GOSISDBHSA-N 291.398 3.900 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)c1ccnc(C#N)c1 561091389 KKMASEOWCYYTGI-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=CCCCC[C@H](C)NC1CCN(CCC)CC1 561156584 BGEMTCRUFJQTPN-HNNXBMFYSA-N 252.446 3.585 30 20 CHED Cc1cc(N2CC[C@H](c3ccccc3)[C@H]2C)cc(C#N)n1 561235289 AWXJMAPLKVIRCG-KDOFPFPSSA-N 277.371 3.644 30 20 CHED N#Cc1cccc(N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)n1 561357513 FCOFUKJHWZRIKW-KURKYZTESA-N 289.382 3.726 30 20 CHED CC1(C#N)CCC(NCc2cc3ccccc3o2)CC1 562519365 PJYAJOFUFNVNCS-UHFFFAOYSA-N 268.360 3.995 30 20 CHED N#Cc1ccc(CSCCC(F)(F)F)s1 565213207 KZQSLQFSMIJWHC-UHFFFAOYSA-N 251.298 3.805 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 567410598 YBAGTPVYVFTJGY-CYBMUJFWSA-N 287.363 3.729 30 20 CHED CCC[C@H](NC(=O)N1CCC(CC#N)CC1)C1CCCC1 573899163 FFSLEDXVDADOLA-INIZCTEOSA-N 291.439 3.681 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H]1CF 578066538 XDFLFUBZZPOWJI-NSHDSACASA-N 289.741 3.698 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccccc2N(C)C)no1 579524071 IUEGLARXUDCPRD-MRXNPFEDSA-N 271.364 3.656 30 20 CHED C=CC[C@H](C(=O)N1C[C@H](C)OC2(CCC2)C1)c1ccccc1 581727372 AZTKRIDJZVJFKF-RDJZCZTQSA-N 299.414 3.516 30 20 CHED CCc1cc(NC(=O)c2ccc(CC#N)cc2)ccc1F 586825901 PMXNSPIKPHUUMF-UHFFFAOYSA-N 282.318 3.706 30 20 CHED C=CCCC(=O)NCC(C)(C)c1cccc(Cl)c1 588036344 XRWRIQMKKJADRN-UHFFFAOYSA-N 265.784 3.700 30 20 CHED N#CCCCCCC(=O)NCCCSc1ccccc1 588146941 PKMHQFOOUXGDLZ-UHFFFAOYSA-N 290.432 3.759 30 20 CHED COc1ccccc1/C(C)=C\C(=O)OCC(C)(C)CC#N 588467270 XBOMTJWTGZTDAN-QBFSEMIESA-N 287.359 3.582 30 20 CHED CN(C(=O)CCCC1CC1)c1cc(Cl)ccc1C#N 589782662 QWSVZYRZDFNAAN-UHFFFAOYSA-N 276.767 3.755 30 20 CHED CC(C)C1(N[C@H]2CCCc3cc(C#N)ccc32)CC1 590260618 GUZHJYBQLRSLKE-INIZCTEOSA-N 254.377 3.714 30 20 CHED CCC(C)(CC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 591316316 BLKJAWAYUAWESG-INIZCTEOSA-N 284.403 3.878 30 20 CHED Cc1ccc(C#N)cc1-c1ccc(O[C@H]2CCOC2)cc1 592983979 JXRGNNSRDCZDDE-KRWDZBQOSA-N 279.339 3.701 30 20 CHED COCCc1cccc(-c2ccc(CC#N)s2)c1 592987374 ZMPYVCQOLJIFSL-UHFFFAOYSA-N 257.358 3.670 30 20 CHED CC[C@@H](OCCN(C)CC(C)(C)C#N)c1ccccc1 593031763 NDMOJVMRXAQKAG-MRXNPFEDSA-N 274.408 3.636 30 20 CHED CC[C@H](C#N)C(=O)N1CCc2c(-c3ccccc3)cccc21 593609086 POCQZPBVSPOZNR-CQSZACIVSA-N 290.366 3.792 30 20 CHED N#CC[C@@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1 595614636 LVJPERZBSKVABX-LBPRGKRZSA-N 287.388 3.529 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1c1cccc(C#N)n1 596317539 MMOMIEBWUWNSQR-INIZCTEOSA-N 277.371 3.912 30 20 CHED CC(C)c1cc(N2CCC[C@H](CC#N)C2)nc(C(C)C)n1 596329624 MJSFQUDRPLEODR-CQSZACIVSA-N 286.423 3.853 30 20 CHED COc1cccc(OCCSCC2(CC#N)CC2)c1 596351131 SGWIVZRSLKQSRO-UHFFFAOYSA-N 277.389 3.501 30 20 CHED CCC[C@@H](C(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)cc1 596892895 ABIJNANJBOSTHI-SWLSCSKDSA-N 292.810 3.842 30 20 CHED Cc1cc2c[nH]nc2cc1NC(=O)CC1(C#N)CCCCC1 597119955 ZQUHXVATWYZSQJ-UHFFFAOYSA-N 296.374 3.674 30 20 CHED N#CC1(CC(=O)N2CC(Cc3ccccc3)C2)CCCCC1 597483122 ASQQVECAQJTMLL-UHFFFAOYSA-N 296.414 3.552 30 20 CHED CCC[C@@H](C(=O)NCC1(C#N)CC1)c1ccc(Cl)cc1 597611172 UZYCDNDAEHIFJR-CQSZACIVSA-N 290.794 3.644 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@H](CC#N)c1ccccc1 598522958 SVBFNNDTISKCDO-MRXNPFEDSA-N 284.403 3.935 30 20 CHED C=CCS[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O 600619779 CKSSGGVPTUGWQN-GFCCVEGCSA-N 285.771 3.504 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1sc(C)cc1C 602309867 VKVUTYXQUMMDOX-UHFFFAOYSA-N 278.421 3.909 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C[C@H]1CC[C@@H](C)C1 602386352 JLLOCNQQTKVNNO-OCCSQVGLSA-N 288.366 3.817 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccc2ncccc12 602466687 ZNXHOLTUDUMCKC-UHFFFAOYSA-N 281.403 3.997 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)n2)CC[C@@H]1c1ccccc1 602476325 NAULTCXJUTXILA-BEFAXECRSA-N 291.398 3.579 30 20 CHED CC(C)CC1(CN[C@H](C)CC2(C#N)CCOCC2)CCC1 602570869 XDTOPPZADVQEEE-MRXNPFEDSA-N 292.467 3.891 30 20 CHED C[C@H](c1ccc(Cl)cc1Cl)n1cc(CCC#N)nn1 603212658 CTMQJQZKYMBMPD-SECBINFHSA-N 295.173 3.650 30 20 CHED COCc1cc(C#N)ccc1N[C@H]1CCc2ccc(O)cc21 603414255 PFYHTSCLLMTQDF-SFHVURJKSA-N 294.354 3.510 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 609566168 XBDKFIMRQVVUDT-MRXNPFEDSA-N 278.355 3.766 30 20 CHED N#Cc1ccc(Cl)cc1NCCOc1ccccc1F 609890172 RSEYWJLMKHGZEJ-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1nc2c(cc1C#N)CCC2 610280469 QXUUNQBXJDPONN-HKUYNNGSSA-N 289.382 3.584 30 20 CHED C[C@@H](NC(=O)[C@H](C)c1ccsc1)c1cccc(C#N)c1 610360063 QTJPCYANVHAOMT-VXGBXAGGSA-N 284.384 3.601 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCC1)CCC2 611194471 LSZJJIZIOWOZNM-KRWDZBQOSA-N 296.414 3.997 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@@H]2CCCC[C@@H]21 616724388 KWSUEJIGWMYPSS-ZFWWWQNUSA-N 287.428 3.979 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(F)c2Cl)C1 617783054 SBWHFGSJOXQDLN-NSHDSACASA-N 281.758 3.907 30 20 CHED N#Cc1cc(O)cc(C(=O)Nc2ccc(C3CCC3)cc2)c1 618883480 SZPXXUKNBKFIEP-UHFFFAOYSA-N 292.338 3.784 30 20 CHED C=CCC1(NC(=O)[C@@H](C)Oc2ccc(F)cc2)CCCC1 619107050 YWYUCQTYTGCSKX-CYBMUJFWSA-N 291.366 3.598 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(-n2ccc(C)n2)cc1 620861705 WMFYUKLCGZYVMQ-UHFFFAOYSA-N 297.402 3.655 30 20 CHED C=CCN(Cc1nc(C)c(C)[nH]1)Cc1ccc(Cl)s1 628121076 QDRMGBYDNQENMF-UHFFFAOYSA-N 295.839 3.930 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC(Cc2ccccc2C)C1 644669974 FGYJEKLQUHMMHH-UHFFFAOYSA-N 271.404 3.598 30 20 CHED C=CCC1(C(=O)Nc2cnn(CC3CC3)c2)CCCCC1 649022132 XYUPOLYGUGBCCD-UHFFFAOYSA-N 287.407 3.758 30 20 CHED C=CCOCCN[C@@H](C)c1ccc(Oc2ccccc2)cn1 651322015 VLFZNJAMXLMOLF-HNNXBMFYSA-N 298.386 3.727 30 20 CHED C=C(C)COc1cccc(NCc2ccnn2CCC)c1 657409971 ZIBRXRUIGVXXTM-UHFFFAOYSA-N 285.391 3.860 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCCc1nccs1 657919479 MPIGSLHXJBDESQ-ZIAGYGMSSA-N 264.438 3.800 30 20 CHED C=CC[C@H]1CCCC[C@@H]1Nc1cnn(CC(F)F)c1 657950895 WFZQLJJETZEDJH-AAEUAGOBSA-N 269.339 3.695 30 20 CHED C=C[C@H](C)NC(=O)C1(Cc2cccs2)CCCCC1 685782544 NIINUURLMPOCPJ-ZDUSSCGKSA-N 277.433 3.932 30 20 CHED C[C@@H](COc1ccccc1)Nc1ccc(F)cc1C#N 699342706 KMVSSTNBJOTALM-LBPRGKRZSA-N 270.307 3.577 30 20 CHED Cn1cc(C(=O)/C=C/c2cccc(O)c2)c2ccccc21 726741256 VAOXOQHZLDZQQE-MDZDMXLPSA-N 277.323 3.780 30 20 CHED C=CC[C@@H](C)C(C)=NNc1nncc2ccccc12 727777296 ONQQWPMNLXXEHY-LLVKDONJSA-N 254.337 3.630 30 20 CHED CC(C)=CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730416783 HKTVJTVXSSRJNI-JTQLQIEISA-N 274.320 3.578 30 20 CHED CON=Cc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 731786939 ZQOQCZMUORPZSZ-UHFFFAOYSA-N 297.289 3.523 30 20 CHED COc1ccc(O)c(/C=N\C[C@H]2CCc3ccccc32)c1 731937770 NLSKVEFJTLTJIM-VCRXTVNUSA-N 281.355 3.550 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)c2c(C)noc2C)c(O)c1 733749925 FZIDBJPTBLMXIF-HLGUWXJESA-N 288.347 3.576 30 20 CHED C[C@@H](CNC(=O)c1ccccc1SCC#N)C(C)(C)C 734443575 UAONSHDWGYBQNS-LBPRGKRZSA-N 290.432 3.714 30 20 CHED C[C@@H](CC(=O)OCc1ccccc1C#N)c1cccc(F)c1 734906899 SGTRPGNOLGXSMV-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED CCC/C=C/C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 735203732 LXUNGSKTQIIJIO-SEIPJRMCSA-N 294.354 3.724 30 20 CHED C=CCCCCCN(C)C[C@@H](O)c1ccc(F)cc1F 739931599 TZWUKHCTKDFSDE-MRXNPFEDSA-N 283.362 3.676 30 20 CHED CC(C)Oc1ccc(CNCc2cc(C#N)ccc2F)cc1 742382008 XCAPZNFZDDJAJL-UHFFFAOYSA-N 298.361 3.774 30 20 CHED Cc1ccoc1C=NNc1ccc([N+](=O)[O-])cc1Cl 743437724 GAJOWZUZRBOUMX-UHFFFAOYSA-N 279.683 3.596 30 20 CHED COc1ccc(OCCCON=Cc2ccccc2C)cc1 745866832 ZNWHUSOLTGBIRW-UHFFFAOYSA-N 299.370 3.823 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1cc(C)ccc1O 747061086 ALKZKZKWFBLKIX-UHFFFAOYSA-N 299.330 3.753 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)Nc1ccc(C)cc1C 748240238 OFGCUXSHTDIXBM-CQSZACIVSA-N 289.375 3.530 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCCc1ccccc1 748935204 MPBHCHKIILATFJ-UHFFFAOYSA-N 293.366 3.933 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)Oc2ccc(F)cc21 749745770 FWDAXUWSGNFTLG-MKMNVTDBSA-N 276.213 3.720 30 20 CHED CCO[C@@H]1C[C@@H](/N=C/c2cccc(O)c2O)C1(CC)CC 749845852 URMYEPUFTLVWGG-GECXBNKPSA-N 291.391 3.501 30 20 CHED c1ccc(NN=C2CC3(CCC3)Oc3ccccc32)nc1 753160775 MWHHWVBRPCVQCQ-UHFFFAOYSA-N 279.343 3.603 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C/c1ccc2cc(OC)ccc2c1 753422932 YEEABKWGOFJJDR-RDTXFTJFSA-N 295.338 3.707 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C1/CC[C@@H](C)C1 753596924 OZXIPIXMXRRPPR-IZCBMXNHSA-N 285.362 3.534 30 20 CHED C#C[C@H](CC)NC(=O)Cc1coc2ccc3ccccc3c12 754374752 QGHYKRJYTHGBSO-OAHLLOKOSA-N 291.350 3.657 30 20 CHED C#CCCN[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 754486547 VWEVICDKKSUPRO-VXGBXAGGSA-N 269.310 3.810 30 20 CHED N#Cc1cccc(NCc2c(F)c(F)c(F)c(F)c2F)c1 754973315 GHHHVQYARJEAGG-UHFFFAOYSA-N 298.214 3.866 30 20 CHED C(=NNc1ncnc2sccc12)[C@@H]1CCc2ccccc21 755589580 WWEWTUSTMXXCSC-LBPRGKRZSA-N 294.383 3.819 30 20 CHED C=C(C)[C@H](CC(=O)NCC1CCCCCCC1)OCC 755606491 KNCGSBWFDPHWLC-INIZCTEOSA-N 281.440 3.834 30 20 CHED FC(F)(F)c1cc(C=NNC2CC2)cc(C(F)(F)F)c1 758134264 XBVALDAYKLJFRB-UHFFFAOYSA-N 296.214 3.810 30 20 CHED C=C[C@@H](CC(=O)OCC(=O)C1CCCC1)c1ccccc1 758919212 FAUAAHANEWXWAK-AWEZNQCLSA-N 286.371 3.649 30 20 CHED COc1cc(F)cc(NN=C(C)c2cc(F)ccc2O)c1 759210062 NDFTYUFNRGWFEJ-UHFFFAOYSA-N 292.285 3.515 30 20 CHED COc1cc(F)cc(NN=C(C)c2sc(C)nc2C)c1 759212535 IUYDKUVDZADZNZ-UHFFFAOYSA-N 293.367 3.744 30 20 CHED C#CCCCCc1nc(COc2ccc(Cl)cc2)no1 761623017 VAZVNSGBOXMONR-UHFFFAOYSA-N 290.750 3.648 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(F)cc1 761891244 XRSCEWMYJXXNDM-UHFFFAOYSA-N 276.286 3.810 30 20 CHED Cc1ncsc1/C=C1\Cc2ccc(Cl)cc2C1=O 762448753 ZNGROEDZXLVACC-BJMVGYQFSA-N 275.760 3.927 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(C)cc1O 764443250 WTWFMIBBUTVZRD-AATRIKPKSA-N 274.341 3.667 30 20 CHED CC#CCCN1CCCCC[C@H]1C[C@H](O)c1ccccc1 764976258 UNSCUVWNVKIABE-OALUTQOASA-N 285.431 3.768 30 20 CHED C#CCCCN[C@H](C)c1ccc(OCCCC)c(OC)c1 766233777 NHTKJCRZSWNZND-OAHLLOKOSA-N 289.419 3.938 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(N2CCCCC2)cc1 767047815 SWYZLQOUDWUSMV-UHFFFAOYSA-N 284.403 3.665 30 20 CHED C#CCC(C)(C)C(=O)N1CCc2cc(C(C)(C)C)ccc21 767073091 XPSBWTWWNALCEI-UHFFFAOYSA-N 283.415 3.923 30 20 CHED CC[C@@H](CC(=O)Oc1ccc(C#N)c(OC)c1)C(C)C 767158481 SHPFQOGRRMOWCO-LBPRGKRZSA-N 275.348 3.545 30 20 CHED CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1occc1C 767766731 AARVGOJAESMFMG-UHFFFAOYSA-N 290.273 3.579 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)c1cccc(C#N)c1 768192629 QUIPLYDPOIUIKF-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED CC(Cc1ccc(C(F)(F)F)cc1)=NNCC(F)(F)F 769825813 WUVHLXPESCBYNI-UHFFFAOYSA-N 298.230 3.776 30 20 CHED C#Cc1ccc(-c2nc(-c3cccc(Cl)c3F)no2)nc1 770898667 TWZVJOSLUBQWMY-UHFFFAOYSA-N 299.692 3.572 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CCC(CO)CC1 771760037 DVJPAWNXDCKYIU-KHPPLWFESA-N 295.467 3.914 30 20 CHED CCn1cc(C(=O)/C=C/c2cscc2Cl)cn1 771860237 QHHCCAOOUZLPQR-ONEGZZNKSA-N 266.753 3.514 30 20 CHED O=C(C=NOCC1CCCC1)Nc1ccc(F)cc1Cl 771863952 LJXSBRXKZUXXCW-UHFFFAOYSA-N 298.745 3.610 30 20 CHED C=CC[C@H](N[C@H](C)c1cnccc1C)c1ccncc1 772456600 SCCYQGNGTVXQNL-PBHICJAKSA-N 267.376 3.753 30 20 CHED C=C(CC)COC(=O)c1cc(OC)ccc1Br 773469060 KQPJEWUUWJEWKW-UHFFFAOYSA-N 299.164 3.581 30 20 CHED Cc1ccnc(NN=CCSCc2ccccc2)c1 774387891 KFIGMRLJEVMSIK-UHFFFAOYSA-N 271.389 3.721 30 20 CHED CCCCC[C@H](CC)C(=O)N[C@H](C#N)C(C)(C)C 775771402 NRSUEPMIOZVNAE-QWHCGFSZSA-N 252.402 3.647 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1ccccc1OC 776205862 ZUDACIYPIUNJQO-GFCCVEGCSA-N 278.421 3.726 30 20 CHED N#Cc1ccc(SCCSc2ccccc2F)nc1 776283427 PWLFKGYSFMXSFI-UHFFFAOYSA-N 290.388 3.977 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2CCC(C)(C)C#N 776590602 FCCUPTAUCPUAAO-CYBMUJFWSA-N 258.365 3.522 30 20 CHED CS[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 776741949 YMGAWYYUVZKXNP-ZLKJLUDKSA-N 278.396 3.632 30 20 CHED Fc1ccc(C2=CCC(=NNc3ncccn3)CC2)cc1 776764934 XECNXHIGKAKBFB-UHFFFAOYSA-N 282.322 3.651 30 20 CHED FC(F)(F)CCON=C1CSCCc2ccccc21 777455965 QKBCNUVUIUREOV-UHFFFAOYSA-N 289.322 3.649 30 20 CHED FC(F)COc1ccc(C=NOCCC(F)(F)F)cc1 777457936 CJVRBKFROFHMFC-UHFFFAOYSA-N 297.223 3.633 30 20 CHED Cn1c2ccccc2c2cc(C(=O)OC(C)(C)C#N)sc21 779225956 GUWZRZUXRTWDBI-UHFFFAOYSA-N 298.367 3.852 30 20 CHED N#CCOc1cccc(NC[C@H]2CCOc3ccccc32)c1 779588835 QQCKAGKFDVISJX-CQSZACIVSA-N 294.354 3.567 30 20 CHED C#CCCCCCC(=O)NCc1cc2ccccc2o1 779845352 OXYQXXBGOLIJNG-UHFFFAOYSA-N 269.344 3.633 30 20 CHED COCC(=NNc1cc(F)c(F)c(F)c1)C1CCCC1 780231021 YRVNZXVGNHTNOO-UHFFFAOYSA-N 286.297 3.708 30 20 CHED CC(C[C@@H](C)CC(C)C)=NN[C@@H]1CCOC(C)(C)C1 780251756 DFCDPQGQMNDXTP-DZGCQCFKSA-N 268.445 3.982 30 20 CHED CO[C@@H](C(C)=NNc1ccc(C(=O)O)cc1)c1ccccc1 782096223 IIEACRYDUAWNCA-INIZCTEOSA-N 298.342 3.560 30 20 CHED Cc1ccn(C(=O)CC(C)(C)C#N)c(=NC2CCCCC2)c1 782133507 YNANABAQIZWLRB-UHFFFAOYSA-N 299.418 3.610 30 20 CHED N#Cc1ccc(CCC(=O)OCCCc2ccsc2)cc1 782676654 GPVMTKFFVVZMCZ-UHFFFAOYSA-N 299.395 3.728 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1nc2ccccc2[nH]1 783791670 YCZPWUQNOMRGOY-RYUDHWBXSA-N 256.353 3.787 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C(C)(C)C 783872168 AXLCFQZYMYUXRH-UHFFFAOYSA-N 261.365 3.569 30 20 CHED CC[C@H](OC(=O)CC(C)(C)C#N)c1ccc(OC)cc1 784537821 LBIONAHXBDLTKU-AWEZNQCLSA-N 275.348 3.629 30 20 CHED CC(=NNC1CCCCC1)c1nc2ccccc2s1 786040503 OEEPQWKERPAPNT-UHFFFAOYSA-N 273.405 3.943 30 20 CHED C(=NOC[C@@H]1CCOC1)c1ccc(-c2ccccc2)cc1 788032782 DKRYBEWXZOYPAM-MRXNPFEDSA-N 281.355 3.741 30 20 CHED COc1cc(NN=C(C)c2ccc[nH]2)ccc1Cl 788467052 BEVZKXJRCOYCRR-UHFFFAOYSA-N 263.728 3.513 30 20 CHED c1nc(NN=C2CCC23CCCC3)c2ccsc2n1 788702144 PLBXWFQJUVQLBI-UHFFFAOYSA-N 272.377 3.813 30 20 CHED C#CCN(Cc1ccnn1C(C)C)[C@H]1CCc2ccccc21 792763606 WECVFXCYTCWKIR-IBGZPJMESA-N 293.414 3.587 30 20 CHED COc1ccc([C@H](C)C(C)=NOCCSC)cc1OC 794573646 GMPSWLHINZJAAA-LLVKDONJSA-N 297.420 3.563 30 20 CHED Cc1cc2ccccc2nc1NN=C1CSC[C@@H]1C 794923390 ZLWUMXWEYMTWJZ-NSHDSACASA-N 271.389 3.694 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C/C(=O)c1ccccc1O 794941640 SZGQUNAZMVXNMA-BQYQJAHWSA-N 296.322 3.603 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc(F)cc1Cl 796846976 HOJMKRFSDFAQLV-MRVPVSSYSA-N 293.681 3.862 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC(C(F)F)CC2)o1 799479295 MPGFQKIECPHEIL-UHFFFAOYSA-N 296.321 3.893 30 20 CHED Oc1ccccc1/C=N/CCc1ccc2[nH]ccc2c1 799743140 XGOYEMFMHMZVHB-LDADJPATSA-N 264.328 3.535 30 20 CHED CC#CC(=O)Nc1cc(C)ccc1OCc1ccccc1 801307471 VDJSSKNEZXOALY-UHFFFAOYSA-N 279.339 3.536 30 20 CHED C#C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(Cl)cc1F 804420684 MEGIWJCJWRNDKT-XHDPSFHLSA-N 291.753 3.626 30 20 CHED Cc1cc(COC(=O)c2ccc(C#N)c(Cl)c2)cs1 806025491 VEHCNHFAEHQGOI-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CC(C)(O)c1ccc(C=NNc2ccc(F)cc2F)cc1 807942521 AESZYDNFLYDOLM-UHFFFAOYSA-N 290.313 3.638 30 20 CHED C[C@H]1CC(=NNc2ccc(C#N)cc2)c2ccccc21 807962907 JTISFXIISJZYOB-LBPRGKRZSA-N 261.328 3.882 30 20 CHED C#Cc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1 809583199 JKBQKYOGRSVKMD-HXUWFJFHSA-N 290.410 3.744 30 20 CHED C#Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 809609609 HNWQNWQZXKAXNK-GOSISDBHSA-N 265.331 3.584 30 20 CHED C#C[C@H](C)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 809682947 JPLYFAWLZBTZQB-NILFDRSVSA-N 281.321 3.953 30 20 CHED C#C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 811516650 QRUWFFZOLLGVFN-GOSISDBHSA-N 298.817 3.870 30 20 CHED C1CCC2(C1)CCC(=NOC[C@@H]1CCOC1)CC2 811649017 XXSHFXZQUBNABT-CYBMUJFWSA-N 251.370 3.530 30 20 CHED CCC(=NNC[C@H]1CCSC1)c1ccc(Cl)cc1 811661377 KDMIHKQMBNLSDJ-LLVKDONJSA-N 282.840 3.797 30 20 CHED N#Cc1ccc(CNN=C2CC[C@H](c3ccccc3)C2)cc1 814880974 HJEIGEZBRRGWPW-SFHVURJKSA-N 289.382 3.972 30 20 CHED COc1ccc(NN=C2CCCCC23CCCC3)nc1 814908852 UYUSUKYHWZNVGE-UHFFFAOYSA-N 273.380 3.993 30 20 CHED CC[C@H](C)CON=Cc1conc1Cc1ccccc1 814938730 SLMZTUGXAMZORZ-ZDUSSCGKSA-N 272.348 3.662 30 20 CHED CC(C)(CC(=O)OCc1ccc(C#N)cc1F)C1CC1 815468547 BAZZBBQYCZFRHP-UHFFFAOYSA-N 275.323 3.567 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)C1(OC)CCOCC1 817419104 AZKCVPIRVNMVMU-CVEARBPZSA-N 285.472 3.909 30 20 CHED C=CC[C@@H](CC)NC[C@H](O)c1cccc2ccccc12 819283563 KZYIAFAWTPSFGJ-QAPCUYQASA-N 269.388 3.818 30 20 CHED C=CCOc1ccc(/C=C(\C)c2ncccn2)cc1OC 821017843 PZSKWBGLAJAYCJ-ACCUITESSA-N 282.343 3.611 30 20 CHED C=CCC1(CNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)CCCC1 821830717 IMFBWYIXCMWMHP-JKSUJKDBSA-N 293.451 3.690 30 20 CHED CC(C)(C)c1ccc(-c2noc([C@@H](N)CCCC#N)n2)cc1 823152689 KRMZQOPGOOCITB-AWEZNQCLSA-N 298.390 3.728 30 20 CHED C#CC1CCN(C(=O)Nc2cccc(C)c2Cl)CC1 831517891 KELZINUNIOAKFE-UHFFFAOYSA-N 276.767 3.526 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ncccc2CC)cc1 834893387 VMLCLCBSSPIJFZ-OAHLLOKOSA-N 294.398 3.507 30 20 CHED C#CCCCCCC=NNc1nc2ccccc2[nH]1 834920828 OLZOYEGVUIOMSG-UHFFFAOYSA-N 254.337 3.544 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)[C@H]1CCCC[C@H]1C 834973271 UYDFRVVFRQBOCZ-YUELXQCFSA-N 266.429 3.736 30 20 CHED CCC(=NN[C@@H](C)C(F)(F)F)c1ccc(Cl)c(N)c1 834998341 FYJUCWYYMHCJLU-ZETCQYMHSA-N 293.720 3.577 30 20 CHED CSCC[C@H](C)OC(=O)C[C@H](CC#N)c1ccccc1 835815167 ZHLBHEADYKBYNN-ZFWWWQNUSA-N 291.416 3.759 30 20 CHED CC[C@H](NC(=O)C#CC(C)(C)C)c1ccc(F)cc1F 837432051 WIIIMKFZXSEJPO-AWEZNQCLSA-N 279.330 3.582 30 20 CHED CCCCCCCCCCNC(=O)N1CCC[C@H](O)CC1 838515597 SQZBBQAAJMDKJZ-INIZCTEOSA-N 298.471 3.684 30 20 CHED CC(C)(CC(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 839048810 OKBNXBNLIVICCV-ZBFHGGJFSA-N 285.387 3.980 30 20 CHED N#CC1(CCOC(=O)[C@H]2CCCSC2)CCCCC1 840576231 SXYBNYKIXFKTDD-ZDUSSCGKSA-N 281.421 3.537 30 20 CHED COC1(C/N=C/c2c(O)ccc3ccccc23)CCCC1 840704401 AAPFFLYJOODFHE-XDHOZWIPSA-N 283.371 3.924 30 20 CHED C[C@@H]1CC/C(=C/C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 841368417 JFDPBVFADDUWCZ-IWHQYUTKSA-N 294.398 3.798 30 20 CHED CC(=NOCCC(F)(F)F)[C@H]1C[C@H]2C=C[C@H]1CC2 842532150 WRAPAXBZLYAHSH-SDDRHHMPSA-N 261.287 3.934 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccncc1 846144247 KAZUDXYSVJALES-XJKSGUPXSA-N 298.386 3.764 30 20 CHED CCCn1ccnc1CCCN(C)c1ccc(C#N)cc1C 846752425 OBVSNTYNDPCRRC-UHFFFAOYSA-N 296.418 3.542 30 20 CHED CCCCn1cc(CNc2ccc(C#N)cc2C)c(C)n1 846752905 WHSVICRWVWUJGH-UHFFFAOYSA-N 282.391 3.784 30 20 CHED C#CCC(C)(C)C(=O)Oc1cccc2sccc12 847119229 OENHSBSNNWWULN-UHFFFAOYSA-N 258.342 3.856 30 20 CHED C=CCCCCNC(=N)NCc1cccc(C(F)(F)F)c1 849089139 ADVNSYQSHXAGQC-UHFFFAOYSA-N 299.340 3.676 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccnn1CC1CC1 849243728 NMSMNCSDGLOAIP-VOTSOKGWSA-N 296.370 3.506 30 20 CHED C[C@H]1CCCCN1N=Cc1ccc(CSC(F)F)o1 853378321 CGUPGJGMCVZIOG-JTQLQIEISA-N 288.363 3.944 30 20 CHED CCOc1ccc(C=NOCCC2SCCS2)cc1 853640410 FJJMPRUEDYIEGU-UHFFFAOYSA-N 297.445 3.632 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1cc(F)ccc1F 853783176 QFOQBSYFJLYEFY-QMMMGPOBSA-N 291.750 3.778 30 20 CHED CCN(C(=O)/C=C(\C)c1cccc(Cl)c1)[C@H](C)C#N 856076183 WPYNELGQKXJIIL-JATZPVMKSA-N 276.767 3.504 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(Cl)cc1C#N 860198571 YTOTWXITLYRFOY-UHFFFAOYSA-N 290.750 3.585 30 20 CHED CCCCCCCNC(=O)Nc1ccc2c(c1)COC2 860855916 HGLKBKSKVWIRQW-UHFFFAOYSA-N 276.380 3.809 30 20 CHED Cn1c(NN=C/C=C/c2ccccc2)nc2ccccc21 864010496 CHBNLUCHRSMTGE-XKBVOMFJSA-N 276.343 3.684 30 20 CHED C[C@@]1(C#N)CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 865672383 JCTHHIXUSYMCBF-AWEZNQCLSA-N 295.289 3.662 30 20 CHED C=CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC 872084837 LAGPZPPYUWCEIT-SNVBAGLBSA-N 266.366 3.543 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(n2c(C)ccc2C)CC1 878552725 AQANVPMPSVJODW-UHFFFAOYSA-N 288.435 3.871 30 20 CHED C=CC(C)(C)CC(=O)N1CCCn2c(cc3ccccc32)C1 880013923 BKISROCFXFJNHC-UHFFFAOYSA-N 296.414 3.976 30 20 CHED C=CCCC[C@H](N[C@H](C)[C@H]1C[C@@H]1C(=O)O)c1ccccc1 902327691 LYJVNTOYIHYFRR-SIXLDLHFSA-N 287.403 3.783 30 20 CHED CC[C@@H](N[C@H](C)CC(C)(C)OC)c1cccc(C#N)c1 902819613 JDSOOSQPVBLZEV-CZUORRHYSA-N 274.408 3.803 30 20 CHED CCC[C@@H](NCC(C)(C)C#N)c1ccc(OC)cc1 903100550 SHKBJWTWTRPPIO-OAHLLOKOSA-N 260.381 3.676 30 20 CHED N#CCC[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 903128481 ZKTWNBGUWOZTRA-LTIDMASMSA-N 254.377 3.810 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2nsc3ccccc23)C1 905929257 NPQFIZNZHCKKSD-GHMZBOCLSA-N 286.356 3.535 30 20 CHED C[C@@H](C(=O)OCCCCC1(C#N)CCC1)C1CCC1 909381091 DJEHEHWHGWEDNK-CYBMUJFWSA-N 263.381 3.830 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(CN(C)C)cc1C 909602948 QIAACIANYPDDHP-UHFFFAOYSA-N 274.408 3.597 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccc(OC(C)C)cc2)c1 914558476 WLIAHVZKMSZQMS-UNOMPAQXSA-N 299.370 3.807 30 20 CHED CCCCCCCC(=O)NCCc1ccc(C)o1 915182675 BVEQANZOQPPESV-UHFFFAOYSA-N 251.370 3.607 30 20 CHED Cc1ccc(NC(=S)NN=Cc2ccsc2)c(C)c1 915912746 LCYOGRPXNDFLGF-UHFFFAOYSA-N 289.429 3.685 30 20 CHED Clc1ccccc1NN=Cc1ccc2c(c1)OCCO2 916262763 YCJVTJNBUUUDNV-UHFFFAOYSA-N 288.734 3.557 30 20 CHED C#CCNC(=O)[C@@H](C)S[C@H](C)c1cccc2ccccc12 920426626 PZEJQZJLELNVGC-ZIAGYGMSSA-N 297.423 3.772 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1ccc(F)c(Cl)c1 920731593 WQZQKZRQECAVRZ-JTQLQIEISA-N 286.730 3.676 30 20 CHED CCC1CC(=O)C(=CNc2ccc(C)c(Cl)c2)C(=O)C1 920975042 YKYNSSLBIXRABE-UHFFFAOYSA-N 291.778 3.902 30 20 CHED CCC1CC(=O)C(=CNC2CCCCCCC2)C(=O)C1 920975972 MFXQBVPNEQZBRB-UHFFFAOYSA-N 277.408 3.531 30 20 CHED CCSc1ccccc1COC(=O)[C@@](C)(C#N)CC 922722697 UMDOIOLKGUXYCC-OAHLLOKOSA-N 277.389 3.782 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 925415844 UYUZLDGWRMZRDP-GOEBONIOSA-N 299.418 3.786 30 20 CHED C#Cc1ccc(NC(=O)N(C)[C@H](C)CCSCC)cc1 934934990 JTDIROPQAVBLBV-CYBMUJFWSA-N 290.432 3.663 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)/C=C\c1ccccc1C#N 1120813628 IUJQCYLYLODBMV-WFTPILKQSA-N 280.371 3.529 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)[C@]1(C)CC=CCC1 1122967026 BNFQLQRSDGOSDG-MAUKXSAKSA-N 283.371 3.501 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)ccc2F)ccc1Cl 1130268554 YODTVQNOLPKOCM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@H]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 1164146571 WQKDVSSZUKBRSP-AAEUAGOBSA-N 257.381 3.851 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1cc(Cl)ccc1F 1168499357 WHWGIRRUJLDSNC-MNOVXSKESA-N 279.746 3.573 30 20 CHED N#Cc1ccc(NC(=O)NCc2ccc3occc3c2)cc1 1184764542 LRFGKGYOJWMUOK-UHFFFAOYSA-N 291.310 3.626 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCC(C)(C)C2)c1 1219116619 XUEUVPXQUXTCFJ-OAHLLOKOSA-N 285.391 3.909 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C2CCCC2)c(Cl)c1C 1262188377 PDAGCCSIVYSBFD-CQSZACIVSA-N 290.794 3.769 30 20 CHED C=C(C)CCC(=O)Nc1ccc2nn(C(C)C)cc2c1 1262609628 TZLAJNJXVIOJPL-UHFFFAOYSA-N 271.364 3.912 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(C#N)c2)ccc1F 1319686778 PRJLGJKRHVMKAE-VURMDHGXSA-N 281.286 3.602 30 20 CHED C=CCC[C@@H](NCc1cc(OCC(F)F)ccn1)C1CC1 1320019598 CPONBDPOPHGRMA-OAHLLOKOSA-N 296.361 3.560 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1ccnn1C(C)C)C2=O 1321071289 AOSBGDFORIXINU-NTEUORMPSA-N 296.370 3.740 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cccc(C(F)(F)F)c1 1321242610 YAOLZEBRUCMVCO-GXFFZTMASA-N 273.298 3.557 30 20 CHED CSc1ccc(NC2CC(C#N)(c3ccccc3)C2)cn1 1321633796 MMZUSNQLYYYBGI-UHFFFAOYSA-N 295.411 3.839 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(OCC#N)cc1 1322006584 CQPOQJFRMJXRHY-UONOGXRCSA-N 286.375 3.744 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1ccc(F)cc1F 1323883916 XWRWBHUZQJVNPL-VIFPVBQESA-N 281.331 3.596 30 20 CHED C[C@H](Nc1cccc(CC#N)n1)c1ccc(F)cc1F 1326460138 AOHFRAZPMFOVEC-JTQLQIEISA-N 273.286 3.599 30 20 CHED CCC[C@H](C(=O)OCc1ccc(C#N)s1)C(C)C 1327720425 DQUCOZNQMAIPHR-ZDUSSCGKSA-N 265.378 3.735 30 20 CHED Fc1cccc2c1CC[C@H]2NN=Cc1cccn1C1CC1 1328090864 JOZKVDGZLAONMG-QGZVFWFLSA-N 283.350 3.573 30 20 CHED N#CC1CCC(CNc2ccc(C(F)(F)F)nc2)CC1 1336750809 KYDFBZHVILUPSZ-UHFFFAOYSA-N 283.297 3.842 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Cc1ccsc1C 1339034478 NCQSKCWPPCWKHO-AWEZNQCLSA-N 263.406 3.556 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2(C3CCCCC3)CC2)n1 1342513118 RGMRYRYUMAYGHE-CYBMUJFWSA-N 288.416 3.988 30 20 CHED CCc1ccc(CCC(=O)[C@@H](C#N)c2cccc(F)n2)cc1 1342557149 DDEKXUIVKQOHDU-HNNXBMFYSA-N 296.345 3.592 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)C1 1343331622 SJONAKORPAKBTH-WJETXHTCSA-N 291.366 3.530 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccnc(C)n1 1343643538 QOGHXMCELDQYCR-UHFFFAOYSA-N 295.173 3.928 30 20 CHED C=C1CCN(c2nnc([C@@H](C)SC)n2CC(C)C)CC1 1344903271 BOPFBAWODXTHHF-CYBMUJFWSA-N 294.468 3.515 30 20 CHED C=C(CC)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 1345943093 WHDAHYLESWNEBI-UHFFFAOYSA-N 288.391 3.884 30 20 CHED Cc1ncc(/C=C\c2nnc(-c3cccc(C#N)c3)o2)s1 1345951217 HQUGGFNWZLGJMV-WAYWQWQTSA-N 294.339 3.544 30 20 CHED C=C(CC)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 1346369938 VIWQDOKNVKUXSH-MRXNPFEDSA-N 255.361 3.631 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(Cl)c(C#N)c2)c(C)n1 1351841401 FWPAUZZUQYLDHE-UHFFFAOYSA-N 299.761 3.784 30 20 CHED N#Cc1cccc(S[C@H]2CCOc3ccccc32)n1 1458249019 SZGQQALLYAZRDA-AWEZNQCLSA-N 268.341 3.569 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(-c3ccon3)cc2)s1 1462970547 GEIDDIJZKLCBPD-UHFFFAOYSA-N 295.323 3.527 30 20 CHED N#Cc1cccc(OCCN2CCC[C@@H]2C2CCCCC2)c1 1473110528 BHXBKCNCJUEDIR-LJQANCHMSA-N 298.430 3.982 30 20 CHED C[C@H]1CC(C(=O)Nc2cnc(Cl)cc2C#N)C[C@H](C)C1 1518160407 DOOBJLDMTUTNFK-NXEZZACHSA-N 291.782 3.617 30 20 CHED C=C(CC)C(=O)N1CCCC[C@H]1c1ccccc1OC 1527668662 VFMAKFZIGMAZHC-HNNXBMFYSA-N 273.376 3.715 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCc1cccc(C(C)C)c1 1529411027 YPJHQBWXSACVCM-UHFFFAOYSA-N 292.382 3.920 30 20 CHED CCc1nc(C#N)cc(NC[C@@H](c2ccccc2)C(C)C)n1 1559065143 KQWFOMINVRJHIZ-MRXNPFEDSA-N 294.402 3.762 30 20 CHED Cc1nnc(S[C@H]2CCOc3ccccc32)c(C#N)c1C 1559134616 CCSQXUNLPYKODC-HNNXBMFYSA-N 297.383 3.581 30 20 CHED Cc1cc(N2CCc3cc(Cl)ccc32)ncc1C#N 1559297301 YNYUDJBIQNMNKJ-UHFFFAOYSA-N 269.735 3.609 30 20 CHED CCCC[C@@H](CCC)CNC(=O)N1CCC[C@@H](C#N)C1 1564306957 SCAYNEPNVBUXPX-CABCVRRESA-N 279.428 3.538 30 20 CHED Cc1ccc(NN=Cc2sccc2Cl)cc1C(=O)O 1607808072 AXTHYFPVVDYDRR-UHFFFAOYSA-N 294.763 3.854 30 20 CHED N#Cc1ccc(CSCC(=O)c2ccccc2)c(F)c1 1641243033 NRQCDWIEMNVONI-UHFFFAOYSA-N 285.343 3.813 30 20 CHED COc1cc(C)ccc1CNc1nc(C#N)c(Cl)s1 1642412468 PZNOBHNCBGQZPD-UHFFFAOYSA-N 293.779 3.597 30 20 CHED N#Cc1cccc(C2(NCc3nccc4ccccc34)CC2)c1 1656236115 SUDMJVQTZURQQC-UHFFFAOYSA-N 299.377 3.885 30 20 CHED CC[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@@H]1C 1658335838 FJJZKKMRFOVOCD-DGCLKSJQSA-N 294.345 3.780 30 20 CHED C[C@@H](CCC#N)CN[C@]1(c2ccccc2)CC1(C)C 1658631946 QTWOCSIYVUIPHX-YOEHRIQHSA-N 256.393 3.841 30 20 CHED CCCC[C@@H](CCC)CNC(=O)Nc1cccc(C#N)n1 1673091171 VEQLCIWEWDDBRT-CYBMUJFWSA-N 288.395 3.681 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cc(F)cc(C#N)c2)cc1C 1674218942 ZEFMIFWVVPFXIS-UHFFFAOYSA-N 297.333 3.983 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CCC[C@@H]1CC 1705753370 YFRQCRJCTBISBV-ZDUSSCGKSA-N 294.830 3.677 30 20 CHED C=CCCCCCN1CCc2c(C)cccc2[C@H]1C(=O)O 1776174420 SJQQVPWRINBXFX-KRWDZBQOSA-N 287.403 3.725 30 20 CHED C=CCc1cccc(CN2Cc3ccc(C(=O)O)cc3C2)c1 1776187769 VTBDWYKKOUYZRP-UHFFFAOYSA-N 293.366 3.629 30 20 CHED O=C(/C=C/c1ccc(C(=O)O)s1)c1cc(F)cc(F)c1 1777569623 AOMLXDIXXRVEGD-HNQUOIGGSA-N 294.278 3.621 30 20 CHED C=CCN(CC=C)C(=S)Nc1cccc(Cl)c1 5600983 VOEPXFGBFFNSMA-UHFFFAOYSA-N 266.797 3.711 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2ccccc2Cl)s1 7333293 YAURNYBMNNUPAN-AATRIKPKSA-N 292.743 3.996 30 20 CHED CN(C)c1ccc(C=NNc2nc3ccccc3s2)cc1 12084581 OQMDXWUNOLJWGZ-UHFFFAOYSA-N 296.399 3.808 30 20 CHED C[C@@H](NCc1cccc(OCC#N)c1)c1cccs1 37235052 TYVPCSZKICVUCW-GFCCVEGCSA-N 272.373 3.501 30 20 CHED COc1cccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 37508462 YRAZXQKZQBSNBK-KBPBESRZSA-N 280.371 3.979 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(C)c(C)c2)n1 41519702 ZRGZZVNFIFSHHS-ZDUSSCGKSA-N 270.357 3.558 30 20 CHED N#Cc1ccc(COc2ccc(C=O)cc2Cl)cc1 43488502 JHNXWXGQZTWHCC-UHFFFAOYSA-N 271.703 3.603 30 20 CHED Cc1ccccc1Sc1ccc(C#N)cc1[N+](=O)[O-] 48837419 OAELMLXGYHJXRB-UHFFFAOYSA-N 270.313 3.926 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 49556824 KBMKCKGOKLCGIG-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C(CC)CC)cc1 49866443 UEGYJHHCHLKZNV-INIZCTEOSA-N 272.392 3.708 30 20 CHED COCCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1 59270476 IPSLRPVISOJPFT-KPKJPENVSA-N 296.366 3.916 30 20 CHED CCN(Cc1csc2ccccc12)C[C@@H](C)C#N 66424647 VDMHRJRLCAMACZ-LBPRGKRZSA-N 258.390 3.883 30 20 CHED C=C(C)CN(CC)Cc1nnc(-c2ccc(Cl)cc2)o1 72553261 ZKUJOSBBWCXVJA-UHFFFAOYSA-N 291.782 3.788 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC#N)cc1 76083499 NVLARVNGIWKRCJ-GDBMZVCRSA-N 285.391 3.843 30 20 CHED CC[C@H](C)CN(CC)C(=O)c1cccc(SCC#N)c1 79547324 XLMORRRNFYLXFY-ZDUSSCGKSA-N 290.432 3.810 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cccc(C#N)c2)C12CCCC2 85677946 WPXXXIGECKXHRH-HZPDHXFCSA-N 270.376 3.708 30 20 CHED N#CCC1(CSc2ccc(C(F)(F)F)cn2)CC1 88259665 WAGGQDNSIUHDIU-UHFFFAOYSA-N 272.295 3.886 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(F)cc1Cl 90398650 GHJWTSKIDWJCNP-NSHDSACASA-N 253.748 3.933 30 20 CHED C=CCC[C@H](N[C@@H](C)c1cnccn1)c1ccccc1 90580872 LRJVXZYVUZBLDX-HOCLYGCPSA-N 267.376 3.835 30 20 CHED CC1(C)CCCN(c2c(F)cc(C#N)cc2F)CC1 90795402 WUPWLTXXRWOVFP-UHFFFAOYSA-N 264.319 3.853 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1cccc(Cl)c1 92198197 XTWDTIXQWVTJDR-BQYQJAHWSA-N 274.751 3.532 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1snc(Cl)c1C#N 92657856 LINZQZUUCVLNRC-YWVKMMECSA-N 281.812 3.826 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)CCCC(C)C 96996375 CVEASCHDNSXXEN-CQSZACIVSA-N 252.402 3.585 30 20 CHED C=CCCC(=O)NCc1cccc(COc2ccccc2)c1 102236901 WYKSVEDZGYRFQT-UHFFFAOYSA-N 295.382 3.848 30 20 CHED COc1ccccc1CC(C)(C)NCc1cccc(C#N)c1 105495079 ZUCISWKBNOQMTO-UHFFFAOYSA-N 294.398 3.678 30 20 CHED CCC[C@@H](C)CC(=O)N[C@](C)(C#N)CCc1ccccc1 110840510 QTQVCOBDUSPOSX-QAPCUYQASA-N 286.419 3.844 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C)c(F)c2)CC1 111705127 JADZPFDJAWPAKI-UHFFFAOYSA-N 262.328 3.564 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C)cc2OCC)CC1 111729368 GRINSHNIQSSZCU-UHFFFAOYSA-N 288.391 3.824 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1ccccc1C(F)(F)F 112534951 ANSAAYVSNHCASE-RYUDHWBXSA-N 295.308 3.800 30 20 CHED CCc1cc(C#N)c(NC(=O)CCCc2ccccn2)s1 112797936 RFPPMSKZXSGTRZ-UHFFFAOYSA-N 299.399 3.539 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccnc2ccccc12 118227139 JSIPCFIUJVDPSE-UHFFFAOYSA-N 295.386 3.637 30 20 CHED C#CCCCCC(=O)Nc1sc(C)nc1CC(C)C 120278761 BPWSYCXBZXRJAT-UHFFFAOYSA-N 278.421 3.782 30 20 CHED C=CCC[C@H](N[C@H](C)C[C@@H](O)c1ccccc1)C1CC1 120646885 ITZGUESGZVKPNO-FHLIZLRMSA-N 273.420 3.833 30 20 CHED C=CCN(C)Cc1cccc(C(=O)Nc2ccccc2)c1 121602092 IPHAJUNZWBPBPI-UHFFFAOYSA-N 280.371 3.557 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OCCC)cc1 125420011 WBFPDEUFLNWCEH-UHFFFAOYSA-N 276.380 3.905 30 20 CHED C=C(C)COCCN[C@H](CC)c1ccc(F)cc1F 125717955 GYSUJIUUHZIVEO-OAHLLOKOSA-N 269.335 3.598 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C(C2CC2)C2CC2)n1 127611120 RJEUKVPYWDNVJW-GFCCVEGCSA-N 288.416 3.879 30 20 CHED C=C[C@@H](CC(=O)N(CC)c1cccnc1)c1ccccc1 128050253 GPRUJHSJJCDSQX-HNNXBMFYSA-N 280.371 3.794 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)c1ccc(F)cc1 130628081 IOLYGJVFXGUWCX-UHFFFAOYSA-N 275.367 3.945 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2ccc(CC#N)cc2)C1 131597147 LJFNSIWEOHQCCM-OCCSQVGLSA-N 256.349 3.517 30 20 CHED C=CCCC1=NN=C(Nc2cccc(OC)c2)SC1 134437480 KXXUHPDWBBZPMT-UHFFFAOYSA-N 275.377 3.532 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2C)C1 135585217 IBDOCWPKNBKNQF-AWEZNQCLSA-N 285.391 3.911 30 20 CHED N#Cc1cc(NC[C@@H]2CCCC[C@H]2O)ccc1C(F)(F)F 154052111 QRHZRAZGVBFWQN-IINYFYTJSA-N 298.308 3.540 30 20 CHED CCN(C(=O)c1ccc(C)o1)c1ccc(C#N)c(Cl)c1 156580623 FFKSCLUMONGIRK-UHFFFAOYSA-N 288.734 3.780 30 20 CHED N#Cc1cc(CSc2nc3ccccc3[nH]2)ccc1F 158029618 FBJFZPHNFWGDKY-UHFFFAOYSA-N 283.331 3.866 30 20 CHED C=CCN(C(=O)c1nc(C(C)C)ncc1Cl)C(C)(C)C 162216184 BWKHCYABMLDVPN-UHFFFAOYSA-N 295.814 3.680 30 20 CHED C=C(C)COCCN[C@H](C)c1oc2ccccc2c1C 163516700 SBHIBCLEWLNDIR-CQSZACIVSA-N 273.376 3.985 30 20 CHED Cc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)c(C)c1 165818965 LCGAVONOBLZDLY-UHFFFAOYSA-N 281.315 3.695 30 20 CHED C[C@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])c(C#N)c1 165929375 MPVGHMCRUAFTHJ-LLVKDONJSA-N 299.305 3.649 30 20 CHED C#CCCCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 172947463 BTZJKIOTFQDXJH-ZIAGYGMSSA-N 296.197 3.627 30 20 CHED N#Cc1ccccc1CNc1c(F)cc(F)cc1F 172975995 XUSHGPRDSVMEHK-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1csc(C(=O)Nc2cc(Cl)ccc2F)c1 176861701 VAJUSXWRGXFSDR-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CN(CCCC(C)(C)C#N)[C@H]1CCCN(c2ccccc2)C1 177792409 VXQLBLDAYHWRIQ-SFHVURJKSA-N 299.462 3.917 30 20 CHED C#CCCSc1nnc(-c2cc3ccccc3o2)o1 178168517 YHUNKQWBAZFJMW-UHFFFAOYSA-N 270.313 3.598 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1c(F)cc(F)cc1F 179657347 PUDYODFBKREJTA-SECBINFHSA-N 286.297 3.970 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)c1ccc(OC)cc1 179776032 BNPGCGHTHBEONJ-MRXNPFEDSA-N 275.392 3.613 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc2[nH]ccc12 179783654 UWDDSWGBGFFZPM-LBPRGKRZSA-N 256.349 3.643 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1cccc(F)c1 179795937 QVZAYXJKNQZVJR-INIZCTEOSA-N 273.351 3.683 30 20 CHED C=C(C)CN(C)C(=O)c1ccc2ccc(Cl)cc2n1 180400468 AKWOELAMARPQHT-UHFFFAOYSA-N 274.751 3.536 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCO2)cc1C(F)(F)F 181058718 AGCSMKDHNVXKPB-JTQLQIEISA-N 287.306 3.848 30 20 CHED C[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1Br 181146161 HJODQBNBRIQRKY-PHIMTYICSA-N 293.208 3.694 30 20 CHED N#CCCCOc1cccc(CNc2ccc(F)cn2)c1 181576453 VWZBAQMUCAKSJZ-UHFFFAOYSA-N 285.322 3.515 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 185130936 KIDSYFQPLROZFW-LLVKDONJSA-N 295.329 3.515 30 20 CHED C#CCCCN[C@H](C)c1ccc(OC(C)(C)C)cc1 185232020 LKEDEIUIOJRWOQ-CQSZACIVSA-N 259.393 3.928 30 20 CHED CC[C@H]1[C@H](C)CCN1c1nc(C(F)(F)F)ccc1C#N 185930116 HVRAODUYIWTJFZ-KOLCDFICSA-N 283.297 3.597 30 20 CHED Cc1cnc([C@@H](C)CN[C@@H](C)c2cccc(C#N)c2)s1 186772462 YJMQZBKGHYZPJW-AAEUAGOBSA-N 285.416 3.778 30 20 CHED C=CCC[C@@H](NCc1cc(COC(C)(C)C)on1)C1CC1 186822200 RSPUSSBIQYDYRJ-MRXNPFEDSA-N 292.423 3.824 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(C)Cc2ccccc2C1 188562555 RVDXVHXTWKJIER-SFHVURJKSA-N 271.404 3.510 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(Cl)cc1 189747957 IUJMABAVEJODSH-AWEZNQCLSA-N 251.757 3.559 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 190109850 IYFZCBGLERONCS-INIZCTEOSA-N 269.348 3.618 30 20 CHED C=CCC1(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)CCC1 190309748 LGKOBVUKWUGKNM-CYBMUJFWSA-N 295.382 3.840 30 20 CHED C#CCN(C)C(=O)c1ccccc1NCCC1=CCCCC1 191522118 OQEXHQGECVTWFF-UHFFFAOYSA-N 296.414 3.694 30 20 CHED CCCn1c(C(=O)OCCCC#N)cc2ccccc21 191613491 WUTFGLHPWLNBBG-UHFFFAOYSA-N 270.332 3.512 30 20 CHED COc1ccc(O)c(/C=N/Cc2ccc3ncccc3c2)c1 195162967 ZOSYMFGPCVECRA-XDHOZWIPSA-N 292.338 3.568 30 20 CHED CCCC[C@H](CC)CNC(=O)C1(C#N)CCCCC1 218726037 NNWRRIKTUYUMFD-AWEZNQCLSA-N 264.413 3.793 30 20 CHED C=CCC[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 219343286 BLUCBRQVXFVDFW-KKUMJFAQSA-N 296.455 3.719 30 20 CHED N#Cc1ccc(OCc2cccc(C#N)c2F)cc1Cl 220992083 IPGWZDZTPLOCQO-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C#CCCCNCc1ccc(Br)cc1Cl 230705802 OMLPQMCMTNDOTF-UHFFFAOYSA-N 286.600 3.606 30 20 CHED CCN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@@H](C)c1ccc(C#N)cc1 248343679 KPMGEDPCCZDOQG-KKBVYLPWSA-N 282.387 3.514 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1c(C)oc2ccccc12 254964263 GHDVNBDZBLVATH-KTKRTIGZSA-N 294.354 3.988 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCc1cccs1 255150008 VPSZDPVRUJYFRP-BOPFTXTBSA-N 282.368 3.664 30 20 CHED COc1cccc(C(=O)/C=C\c2cccnc2Cl)c1 255387068 CRHXWMMGFJJBOC-FPLPWBNLSA-N 273.719 3.640 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1ccc2[nH]ccc2c1 255795387 UMKFHWKRNXYYMS-YVMONPNESA-N 287.322 3.691 30 20 CHED C[C@@H](O)C[C@H](CNc1cccc(F)c1C#N)c1ccccc1 268269808 NIVXKTQBFZFWPV-UKRRQHHQSA-N 298.361 3.664 30 20 CHED C=CCC[C@H](NC(=O)C1CCSCC1)c1ccccc1 269385962 GQWFOWSNYDBLKR-INIZCTEOSA-N 289.444 3.953 30 20 CHED Cc1nc(CCN(Cc2ccc(C#N)cc2)C2CC2)cs1 271326242 URTKTWOQCJSSTB-UHFFFAOYSA-N 297.427 3.530 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)F)cc1 274416586 HZZRQXAAHRWNIG-GMXVVIOVSA-N 280.318 3.631 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(CCC#N)Cc1ccco1 279925275 XRYUIORHOLCEMD-GDBMZVCRSA-N 288.391 3.738 30 20 CHED N#CC1(CCCOc2cnc3ccccc3c2)CCOCC1 281308455 KJLVEOPFOYXDBR-UHFFFAOYSA-N 296.370 3.714 30 20 CHED C=CCC[C@H](NCC1(CCO)CCCC1)c1ccco1 286041374 KNWNXSHUIJBUNR-HNNXBMFYSA-N 277.408 3.819 30 20 CHED C#CC[C@@H](NCc1c(C)cc(C)nc1OC)c1ccccc1 287978157 ZSRLEEPBXZPARE-GOSISDBHSA-N 294.398 3.561 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 288323807 KNFXXGWMSXYDNZ-OAHLLOKOSA-N 296.395 3.843 30 20 CHED C=C(C)CCc1noc(-c2cc(NC(C)=O)ccc2C)n1 288970753 BEZWXYXMQOZIOB-UHFFFAOYSA-N 285.347 3.512 30 20 CHED C=CCSCCN[C@@H](C)c1nccc2ccccc12 290830039 XRLQCWSTZMQJNS-ZDUSSCGKSA-N 272.417 3.805 30 20 CHED N#CCCCC(=O)Nc1ccccc1SC(F)F 291287049 ZHHMCPJRRCSWKP-UHFFFAOYSA-N 270.304 3.634 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2nc(C)oc2c1 292353947 DZGAKCZGSFBLHC-UHFFFAOYSA-N 258.321 3.677 30 20 CHED C=CCC[C@@H](CC)Nc1cccc(NC(=O)N(C)C)c1 295165793 FMGVSAMVHGCWLK-CYBMUJFWSA-N 275.396 3.937 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(C)c(Cl)c2)no1 296299617 DOJZMFHTAMCWDY-CQSZACIVSA-N 275.739 3.890 30 20 CHED C[C@@H](C#N)N(C)C(=O)CCCc1csc2ccccc12 297677731 CMZWSCDCUMLRTH-LBPRGKRZSA-N 286.400 3.594 30 20 CHED C[C@@H](CCC#N)Sc1nc(C(F)(F)F)ccc1C#N 298125573 BXSFOEXLBRCSLX-QMMMGPOBSA-N 285.294 3.756 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](C)C3)c2c1 301409119 NVOWUSNPHFMOCM-LLVKDONJSA-N 265.360 3.570 30 20 CHED Cc1ccc(CN(C)c2cc(Cl)ccc2C#N)nc1 302684368 QEAXHCNYGSDLGX-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C=CCC[C@@H](Nc1ncnc(N)c1Cl)c1ccccc1 302861349 VENSORJDZKRLSP-GFCCVEGCSA-N 288.782 3.832 30 20 CHED CC#CCOc1ccc(Cl)cc1Br 307686942 DFXMQKBDWDSCPF-UHFFFAOYSA-N 259.530 3.505 30 20 CHED C=CC[C@H](CC)NCc1ccc(Br)s1 308613083 REBKNNURHSXXCQ-VIFPVBQESA-N 274.227 3.955 30 20 CHED CCc1ccc([N+](=O)[O-])cc1NCc1ccc(F)c(C#N)c1 320157302 MOKMNCDFSNTNLN-UHFFFAOYSA-N 299.305 3.780 30 20 CHED OC1=Nc2ccc(/C(O)=N/[C@@H]3CC[C@H](F)C3)cc2SC1 329741666 WCHGARSJOHJBOA-VHSXEESVSA-N 294.351 3.576 30 20 CHED C[C@@H]1OCC[C@@]1(C)/N=C(/O)CCc1ccc2ccccc2n1 330171082 FCAZOKKEWGFZIM-SCLBCKFNSA-N 298.386 3.691 30 20 CHED CC1(C)CCC(/N=C(/O)N[C@@H]2CCOC3(CCC3)C2)CC1 330272571 XSOHOMFNTRXBRK-CQSZACIVSA-N 294.439 3.561 30 20 CHED CCc1cccc(CC)c1NC(=O)N[C@H]1CCC[C@@H]1C#N 334028877 NQSAPVYLXDPPIG-CABCVRRESA-N 285.391 3.625 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc2c(c1)CCC=C2 335867803 LWZWQKZTCBUVLZ-UHFFFAOYSA-N 288.350 3.964 30 20 CHED C=CCCSCc1noc(C2CCCCC2)n1 339093229 ZOZCEAZZJCQLRJ-UHFFFAOYSA-N 252.383 3.927 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(C)n(C)c2C)c1 340146696 FLHOVPWFRUEVBP-UHFFFAOYSA-N 298.386 3.849 30 20 CHED C=CC1CCN(C(=O)c2ccc(C(C)C)nc2C)CC1 340161242 XDRUOPVCWWLHAN-UHFFFAOYSA-N 272.392 3.552 30 20 CHED COc1ccc(CN2Cc3ccccc3C[C@@H]2C)cc1C#N 340201860 ZUMWNAPCXKOIQS-AWEZNQCLSA-N 292.382 3.514 30 20 CHED C=CCC[C@@H](NCCC1(COC)CCC1)C1CC1 340447153 STKMPXRTWTYHLM-OAHLLOKOSA-N 251.414 3.528 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cccc(OC)c1 341109029 MXZIAEPMPPXKGM-UHFFFAOYSA-N 299.345 3.663 30 20 CHED N#Cc1ccc(C[S@](=O)Cc2ccccc2C2CC2)cc1 341457044 KDAXLOGEWKTMNU-NRFANRHFSA-N 295.407 3.885 30 20 CHED N#Cc1cccc(C[S@](=O)Cc2ccccc2C2CC2)c1 341471912 UOQKZJKIRARGCO-NRFANRHFSA-N 295.407 3.885 30 20 CHED C=CC[C@H](C(=O)Nc1cncc(F)c1)c1ccccc1 341539229 AASMMKUINOZIDG-HNNXBMFYSA-N 270.307 3.519 30 20 CHED Cc1ccc([C@H]2CCCN2c2ccnc(C#N)c2)cc1 341742535 FQCHRAHOOMEUPF-QGZVFWFLSA-N 263.344 3.603 30 20 CHED Cc1ccc([C@@H]2CCCCCN2CC2(C#N)CC2)o1 343322989 SBPXSYUTJPFTQG-AWEZNQCLSA-N 258.365 3.809 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)c1cccc(C#N)c1 346936863 VRBQLROTHNPBRX-UHFFFAOYSA-N 292.382 3.857 30 20 CHED CCN(CCC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 347233196 QMVQMSQXILJIDO-SFHVURJKSA-N 299.462 3.523 30 20 CHED N#CCCCCCc1nc(-c2cnc3ccsc3c2)no1 350095523 UJJHUSNMYJEWLS-UHFFFAOYSA-N 298.371 3.973 30 20 CHED N#Cc1csc(/C=C\c2nc3c(C(=O)O)cccc3o2)c1 352004535 AIZVIAPYUSSPBQ-PLNGDYQASA-N 296.307 3.630 30 20 CHED CC(C)c1csc(CN[C@@H]2CCc3ccc(C#N)cc32)n1 353269437 TXNMATZIDYBIFI-OAHLLOKOSA-N 297.427 3.915 30 20 CHED N#Cc1ccncc1N1CCC(Cc2ccccc2F)CC1 354344675 WDJRDFGLCMWOFQ-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCC1CCOCC1 354534064 FKUGWMLJWNMRKL-ZDUSSCGKSA-N 290.432 3.777 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 354706593 LSZALZVBUUXOOP-GFCCVEGCSA-N 288.347 3.518 30 20 CHED C=C(C)CSc1nnc(COc2ccc(C)cc2)o1 355859989 GYLXDSRQJGQCEG-UHFFFAOYSA-N 276.361 3.625 30 20 CHED C=CCOCCCSc1ccc2c(c1)OCCCO2 356040374 QPHXUCACPCLTLN-UHFFFAOYSA-N 280.389 3.533 30 20 CHED C=CCCC1(C(=O)N(C)[C@H]2CC[C@@H](SCC)C2)CC1 356244428 IFAFWKPJECDDKX-UONOGXRCSA-N 281.465 3.865 30 20 CHED Cc1nc(C)c(COc2ccc(C#N)cc2Cl)s1 357987689 LBAYYKUMDPQGTA-UHFFFAOYSA-N 278.764 3.864 30 20 CHED C=C(CC)CN[C@@H](c1ccccc1)c1nccs1 358610087 FDMPBVPQWGAFAP-AWEZNQCLSA-N 258.390 3.788 30 20 CHED CC(C)(CCC#N)CNC(=O)C1(c2ccccc2)CCCC1 359766683 QFOVCBZVXMQFKJ-UHFFFAOYSA-N 298.430 3.945 30 20 CHED N#CCCN(Cc1cc(F)cc(Cl)c1)CC1CC1 362505224 LSGBJRUVBMKYAS-UHFFFAOYSA-N 266.747 3.605 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Oc2cccnc2)c(C)c1 362627902 OZUDVLWKTVZOJG-ZDUSSCGKSA-N 297.358 3.878 30 20 CHED CC(C)(C#N)CCCCN1CC[C@H](c2ccco2)C1 368439431 UTNRCGLRDPHUEU-AWEZNQCLSA-N 260.381 3.789 30 20 CHED CC(C)n1ncc2c1[C@@H](Nc1ccc(F)cc1C#N)CCC2 375161261 RFJWGCZVQJDEBH-INIZCTEOSA-N 298.365 3.964 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@](C)(OC)CC1 377005087 BNFMDKWOYAXSPL-KRWDZBQOSA-N 296.455 3.724 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1Br 381561846 RNRCJRFPMOXSMN-CMPLNLGQSA-N 279.181 3.862 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1ccc(Cl)cc1Cl 384197996 KFVIHCJOQSFGTB-ZDUSSCGKSA-N 270.159 3.525 30 20 CHED N#Cc1ccc(N[C@@H]2CC23CCCCC3)cc1[N+](=O)[O-] 395639225 CGXBOUDFTMDICT-CQSZACIVSA-N 271.320 3.601 30 20 CHED Cc1cc(F)ccc1OCc1ccc(CC#N)cc1 399126866 KYVIMDOPIUCNNZ-UHFFFAOYSA-N 255.292 3.779 30 20 CHED N#Cc1ccc(Cl)cc1OCC=C(Cl)Cl 403370559 OIRCZOIBKRFWID-UHFFFAOYSA-N 262.523 3.909 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(C)c(Cl)c1F 410832376 CRBPKCHCHQYCFP-SNVBAGLBSA-N 282.746 3.552 30 20 CHED CCCN(CCc1cccc(F)c1)[C@H](C)CCC#N 411277069 HQXCEFZGGOMDCU-CQSZACIVSA-N 262.372 3.772 30 20 CHED CC1(C)CCCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[C@H]1C#N 412297543 XHDOQYVRXQTKQK-GJYPPUQNSA-N 296.414 3.721 30 20 CHED C=CCn1c(C)nnc1SCC1CCC(F)(F)CC1 412978507 NSWOYHLRQOANRA-UHFFFAOYSA-N 287.379 3.690 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)[C@H](C)c1ccccc1 413172453 BTZCQVQWMPOKRL-RYUDHWBXSA-N 269.323 3.696 30 20 CHED CCCC[C@H](C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 415711259 SBAWYJNMFXHDII-LBPRGKRZSA-N 287.407 3.698 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(N(C)C)cc2)no1 424220088 GNNOFMGFALANHQ-UHFFFAOYSA-N 271.364 3.656 30 20 CHED Cc1ccc(OC(F)F)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 424330394 QLYYDVANZIGAOZ-RWMBFGLXSA-N 294.345 3.939 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCc2c(F)ccc(F)c21 425529229 BDWOLOHXPWKQFU-UHFFFAOYSA-N 279.330 3.846 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OC)c(OC(F)F)c1 426545707 RLGBWSBAPYRQEJ-ZDUSSCGKSA-N 297.345 3.837 30 20 CHED CC1(C)CCCc2cc(C#N)c(N3C[C@H]4CC[C@H]3C4)nc21 428101505 SWGVAXBVXRRMQN-WFASDCNBSA-N 281.403 3.556 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Br)cc1CC 429343939 JUBKSPZKRPADFN-UHFFFAOYSA-N 297.196 3.709 30 20 CHED C=CCC[C@H](NC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C)c1ccccc1 435104424 FWYKOLCQCWTBJZ-ZACQAIPSSA-N 298.430 3.991 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1cc(Cl)ccc1C#N 435583483 GYAYKUCAPVTOTK-IUODEOHRSA-N 276.767 3.605 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H]1CCC[C@H](CC)C1 435741344 OGKBKWZHEBCXGL-HZMVEIRTSA-N 265.441 3.774 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccccc1)C(C)C 436301985 QIJCPWVTRKDULE-KURKYZTESA-N 273.420 3.955 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N[C@H]1CCC[C@H]1F 436729776 SVCREQFJACFAEI-YPMHNXCESA-N 291.276 3.687 30 20 CHED C=CC[C@@H]1N(C(=O)c2ncccc2CC)CCCC1(C)C 443863383 XIHMQKAZERXWNH-HNNXBMFYSA-N 286.419 3.851 30 20 CHED N#Cc1cc(F)c(NCc2ccc3c(n2)CCCC3)c(F)c1 443968837 XNTJRAAHAWHLLF-UHFFFAOYSA-N 299.324 3.722 30 20 CHED COCc1cccc(COc2ccc(C#N)cc2Cl)c1 446973675 DVHKISQUZIOITC-UHFFFAOYSA-N 287.746 3.937 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccnn1C1CCCC1 449010646 MHKACIUHVXWATL-UHFFFAOYSA-N 294.402 3.502 30 20 CHED CC1(C#N)CCC(NCc2ccc(Cl)cc2)CC1 449068527 TUSNYEOITVRCTN-UHFFFAOYSA-N 262.784 3.902 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](C)c1nccs1 449236766 LITXKMPZPZUMSY-QWHCGFSZSA-N 252.427 3.971 30 20 CHED C=C(C)CN(CCc1cccc(C)c1)Cc1ccc(CO)o1 449321766 NDRPRBAAOQHAPC-UHFFFAOYSA-N 299.414 3.701 30 20 CHED CC[C@H](CC(C)C)C(=O)N(C)Cc1ccc(C#N)cc1 449442354 YGWYYFTXMPESFF-MRXNPFEDSA-N 272.392 3.589 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3cc(F)c(F)c(F)c32)C1 449584350 JOJBYBPMLJITRQ-IRUJWGPZSA-N 294.320 3.763 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3c(O)cccc32)CCCC1 449839121 AORPIMRLYHBEHJ-OAHLLOKOSA-N 285.387 3.632 30 20 CHED Cc1nc(C)c(CCNc2cccc(Cl)c2C#N)s1 450331080 VDSXCPMDGOVMLB-UHFFFAOYSA-N 291.807 3.940 30 20 CHED C=C(C)CCNc1ccc(C(=O)CC)cc1[N+](=O)[O-] 450708884 DIIZXJYOQJJHHW-UHFFFAOYSA-N 262.309 3.566 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(CC#N)cc1 452420222 MCGZUXSYHPAFOO-DOTOQJQBSA-N 284.403 3.699 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(CC#N)cc1Cl 452642629 HCVMJUHIKNIQOK-LLVKDONJSA-N 276.767 3.947 30 20 CHED C=CCCc1noc(CCSc2ccc(F)cc2)n1 453228670 BAFOAKOBHFXQNA-UHFFFAOYSA-N 278.352 3.662 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc(OC)c2ccccc12 453377510 XTIBPLWEAUAKKR-LSDHHAIUSA-N 299.414 3.826 30 20 CHED C=C(C)CCNC(=O)Nc1c(C)cccc1Cl 455148740 GKFPEHDFEUIJDY-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=CC(C)(C)CNC(=O)N(C)C/C(C)=C/c1ccccc1 455387565 PYGPTUIUAATBLN-NTCAYCPXSA-N 286.419 3.944 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC(F)F)cc1F 455429380 PTQQFWRAODSVSK-UHFFFAOYSA-N 288.269 3.515 30 20 CHED CC(C)[C@H](C)CNC(=O)Nc1ccc(CC#N)cc1Cl 455702967 LSXDZIZGLLOTAN-LLVKDONJSA-N 293.798 3.820 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(C)cc2ccccc12 455749048 ZFPNVUNBNBDBDQ-AWEZNQCLSA-N 281.359 3.962 30 20 CHED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)Nc1cccc(CC#N)c1 455907736 POOWWIQDPWNUGO-RDJZCZTQSA-N 285.391 3.699 30 20 CHED CCN(C(=O)Nc1cccc(CC#N)c1)C1CCCCC1 455921232 OLUWZVQTVNKAFR-UHFFFAOYSA-N 285.391 3.939 30 20 CHED C=CCC1(CNC(=O)N(CC)CCC)CCCC1 459053272 QWAIHWLKCLDPFP-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C[C@]1(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC=CCC1 459315092 RMGUZRPYKRCYLH-HNNXBMFYSA-N 289.766 3.832 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N(C)C1CCC(C(C)(C)C)CC1 459973321 LXRUNKSHJJCVJH-QROZZAMVSA-N 276.424 3.599 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC=C(C)C1 460568211 SYYKKOSWXASTKD-UHFFFAOYSA-N 294.402 3.678 30 20 CHED C[C@H](C(=O)N1CCCc2ccccc21)c1cccc(C#N)c1 461770568 XAGYDFPAOHBIJG-AWEZNQCLSA-N 290.366 3.641 30 20 CHED CCC1CCC(CNC(=O)[C@H](C)c2cccc(C#N)c2)CC1 461932298 MPVVZMQWGKUPBC-QQFBHYJXSA-N 298.430 3.994 30 20 CHED C[C@H](NC(=O)N1C[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 465655612 INPPIWCQVWNPCR-ILXRZTDVSA-N 299.418 3.839 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1ccc(C)c(C)c1 466527290 FJFGQKHCBUQVFP-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C[C@]1(CNc2c(Cl)cccc2C#N)CCO[C@H]1C1CC1 466617897 KLNYVVNVTWTGFY-JKSUJKDBSA-N 290.794 3.829 30 20 CHED C=CCCN(C)C(=O)c1cc(-c2cccc(Cl)c2)on1 466652274 UQRCTJBNKBCAGY-UHFFFAOYSA-N 290.750 3.643 30 20 CHED C=CCCN(C)Cc1cc(C)ccc1OC(F)F 467374949 CKDOBSXPOADUGF-UHFFFAOYSA-N 255.308 3.604 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)Oc1ccccc1 468002450 FUXGCGPCUAZTFU-KRWDZBQOSA-N 275.392 3.563 30 20 CHED C=CCOCCCN(C)[C@H](C)c1ccc(Cl)cc1 470727322 SGBDIOOXNCDTKV-CYBMUJFWSA-N 267.800 3.926 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N1CCCC(C)(C)[C@H]1C#N 477098096 LLHPEWIZXDSLIB-RBSFLKMASA-N 276.424 3.744 30 20 CHED C=CCCCC(=O)NCc1ccc(C(C)(C)C)cc1 479521520 GFRHPMUCPFYVFL-UHFFFAOYSA-N 259.393 3.957 30 20 CHED CC[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](C)C#N 488699767 UGNOLYWVVDWUJA-RISCZKNCSA-N 250.773 3.883 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@H]1CCc2ccccc2C1 488861614 RALUUGUKJSXTIB-YJBOKZPZSA-N 283.415 3.749 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)c1cccc(C)c1 488872649 HDFAHEMPBQVGFT-GOEBONIOSA-N 257.377 3.666 30 20 CHED Cc1c(C)c(C)c(CNC(=O)CC(C)(C)C#N)c(C)c1C 501789944 DGPSKIWNYLIGFR-UHFFFAOYSA-N 286.419 3.785 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)N(CC#N)C1CCCC1 505834015 WGTMKTIZFJTKLZ-CQSZACIVSA-N 276.424 3.888 30 20 CHED CC(C)CCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505917348 PBMVLEYSPCQBII-CYBMUJFWSA-N 298.308 3.822 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2cccc(C#N)c2C)cc1F 510144191 AZSHVQKILHQWEK-CYBMUJFWSA-N 296.345 3.805 30 20 CHED C=CCc1cc(CN(C)CC(C)(C)C)cc(OC)c1O 510692936 KLEZZCZZWQNACE-UHFFFAOYSA-N 277.408 3.607 30 20 CHED COc1ccc2c(c1)CN(c1cccc(Cl)c1C#N)CC2 513192175 FEBQLDRBHTXESP-UHFFFAOYSA-N 298.773 3.783 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](CC2CC2)C1 515463336 DMYSTVKZBNNSDT-HNNXBMFYSA-N 283.375 3.521 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1Cc1cccc(C#N)c1 530725453 PWBCGLBXPVYTEA-HNAYVOBHSA-N 276.383 3.936 30 20 CHED COc1ccc(CNc2ccc(F)cc2C#N)c(C)c1 532217286 GXKILQBIVZKPEG-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CN(CCCc1ccccc1)c1ncc(C#N)cc1Cl 536089257 RLXRBEPHHKOKGA-UHFFFAOYSA-N 285.778 3.676 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCCOc1ccc(C#N)cc1 536868829 IPSZDDVYNPMMSB-HZPDHXFCSA-N 294.398 3.719 30 20 CHED C[C@H](N[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(C#N)c1 537307711 QJBPGGHHZGFRBZ-GDIGMMSISA-N 276.383 3.840 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CN(C)Cc2ccccc21 537947094 HUBANODCROIMPD-WBVHZDCISA-N 258.409 3.508 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@](C)(CC)C1 538430074 QNVGFBGFLAVKNP-QGZVFWFLSA-N 281.440 3.788 30 20 CHED CCN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 539368602 QZMTUVVTFVCUCZ-UHFFFAOYSA-N 284.746 3.878 30 20 CHED C=CC[C@H](CC)NCc1cnc(-c2ccccc2)nc1 547374512 SGXNADOYBNICAG-INIZCTEOSA-N 267.376 3.588 30 20 CHED C=CCCCCN[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 548159021 PBEFKEXSDJJJDP-MJGOQNOKSA-N 286.463 3.843 30 20 CHED N#Cc1ccc(Oc2ncccc2[N+](=O)[O-])c2ccccc12 549699523 RRHLZWRNMUFBNA-UHFFFAOYSA-N 291.266 3.807 30 20 CHED CC(C)c1cc(C(=O)NC[C@@H](C)C#N)c(O)c(C(C)C)c1 560614290 ARPRHJIQBVFSMJ-LBPRGKRZSA-N 288.391 3.528 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)[C@@H](C)CCCC 561379732 NHJJMWVJLAVIAP-JONQDZQNSA-N 253.430 3.772 30 20 CHED N#CCCN[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 565652682 AAOQXOJTFWLLOH-DZGCQCFKSA-N 262.784 3.869 30 20 CHED C=CCc1cccc(F)c1OCc1ncc(CC)o1 566095722 HVGLPFWZAJEXAP-UHFFFAOYSA-N 261.296 3.684 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C#N)s1 567102041 FOYBFUIMDORPFX-AWEZNQCLSA-N 298.411 3.505 30 20 CHED C=C[C@](C)(O)CC(=O)NC(C)(C)CC1CCCCCC1 568148194 MSSDAGPOLJWOEO-KRWDZBQOSA-N 281.440 3.569 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 571620336 FPCDLHVYECTCPK-COPLHBTASA-N 288.778 3.781 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1cc2cccc(F)c2o1 573417800 GJDAPOLCRVJCDP-RYUDHWBXSA-N 285.322 3.666 30 20 CHED Cn1nc(C2CCCC2)cc1NCc1ccc(C#N)c(F)c1 573674400 CQNZFEBIQDBWND-UHFFFAOYSA-N 298.365 3.701 30 20 CHED N#Cc1cncc(N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 574305966 DXNMWHOBRULGGX-JSGCOSHPSA-N 298.777 3.750 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@H]1CCC(C)=C(C)C1 576521416 SJBMEIRUPSFENV-AWEZNQCLSA-N 284.359 3.642 30 20 CHED C=CCCCCN(CC(=O)O)Cc1ccc(Cl)cc1 576710572 MOMWBOKISRDBRN-UHFFFAOYSA-N 281.783 3.583 30 20 CHED N#CC1(CNCc2ccc(F)c(Cl)c2Cl)CC1 577570420 BKQITVTYHRMVRP-UHFFFAOYSA-N 273.138 3.526 30 20 CHED Cc1cc(SCC(=O)NCCC(C)(C)C)ccc1C#N 579352599 HBOOFUVXDLXBGN-UHFFFAOYSA-N 290.432 3.511 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCc1cccc(C#N)c1F 580377774 PNTYFTLPSPBSEE-VXGBXAGGSA-N 260.356 3.612 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC1(CSC)CC1 593013042 FKVAXZWLYHOWNF-UHFFFAOYSA-N 295.473 3.796 30 20 CHED CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H](C#N)CC 593399539 HVHDUXWQRBQKIU-NSHDSACASA-N 296.773 3.767 30 20 CHED CCO[C@@H]1CCN(c2cccc(C(F)F)c2C#N)C[C@H]1C 594583525 SQFRTYUTZLXIAQ-IAQYHMDHSA-N 294.345 3.747 30 20 CHED N#CCC1(CN[C@@H](c2ccccc2)c2nccs2)CC1 594704650 CGEMNUOEAQKWLV-AWEZNQCLSA-N 283.400 3.516 30 20 CHED Cc1nc2ccccc2nc1SCC1(CC#N)CC1 594889582 KMYRGFWFBLEBBF-UHFFFAOYSA-N 269.373 3.724 30 20 CHED C[C@H]1c2ccsc2CCN1c1nc(C#N)c(Cl)s1 596064630 YRINNJIDXPXWLX-ZETCQYMHSA-N 295.820 3.853 30 20 CHED Cc1nc2ccc(NC(=O)CC3(C#N)CCCCC3)cc2o1 596724503 YZSBFMWHIVQYSX-UHFFFAOYSA-N 297.358 3.939 30 20 CHED Cc1coc2ccc(NC(=O)N3CCC[C@@H](CC#N)C3)cc12 596856070 TZYNLDPPWHEFFN-ZDUSSCGKSA-N 297.358 3.899 30 20 CHED C=CCCSCCNC(=O)c1cc2cc(C)ccc2[nH]1 597970605 KQMLIIMTRUADBL-UHFFFAOYSA-N 288.416 3.515 30 20 CHED Cc1cc(C)c(C(=O)N(CCC#N)CC(C)(C)C)s1 601039720 PWZGLGADRUGXFJ-UHFFFAOYSA-N 278.421 3.767 30 20 CHED CCCCCC(=O)N(CC#N)c1ccc(F)cc1C 602394614 UTPYJDOWMMNLNP-UHFFFAOYSA-N 262.328 3.571 30 20 CHED Cc1ccccc1[C@@H]1CCN(C[C@@H](C)CCC#N)C1 602465525 ROIQMWFURMJBST-GOEBONIOSA-N 256.393 3.724 30 20 CHED C[C@@H](CCC#N)CN1CC[C@H](c2ccc(F)cc2)C1 602469754 WLPYLWJOLQNIJX-ZFWWWQNUSA-N 260.356 3.555 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cccc(C#N)n2)o1 602488062 ZFYYSLOJHOLEMO-GUYCJALGSA-N 295.386 3.828 30 20 CHED CCN(CC)[C@H](CNC[C@H](C)CCC#N)c1ccsc1 602510760 NISGGLSUFFYQJG-GDBMZVCRSA-N 293.480 3.660 30 20 CHED CCS[C@@H]1CCC[C@@H](NC[C@@H](C)CCC#N)C1 602567893 LUQVSEWCIPAZAN-BFHYXJOUSA-N 254.443 3.580 30 20 CHED C[C@@H](CCC#N)CNCCn1ccc2cc(Cl)ccc21 602651746 VFTTUPJKBJVLOY-ZDUSSCGKSA-N 289.810 3.824 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@H]1CCC[C@H]1C(C)(C)C 602692458 ICWCKJMNFRZVMK-OAGGEKHMSA-N 292.467 3.890 30 20 CHED C[C@H](N(C)C(=O)CSc1ccc(C#N)cc1)C(C)(C)C 603917071 OVSCREZGXGMXHS-LBPRGKRZSA-N 290.432 3.543 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@H]2CCc3ccccc32)C1 609737031 XVEUHVPHKVYZSG-IDHHARJASA-N 296.414 3.695 30 20 CHED C[C@H](C#N)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 609921258 DSQWJZDORUVXAQ-GFCCVEGCSA-N 298.773 3.783 30 20 CHED Cc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 610317246 HMTBSWPUXWSDKU-LBPRGKRZSA-N 297.333 3.889 30 20 CHED N#Cc1cccc(CN2CCCc3sccc3C2)c1F 611371751 ZKTRFQHIOAXBFN-UHFFFAOYSA-N 286.375 3.707 30 20 CHED CSc1ccccc1CN1CCC[C@](C)(C#N)C1 612162153 FRSPNITYBQRQPI-OAHLLOKOSA-N 260.406 3.534 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)N1CCC[C@](C)(C#N)C1 612244839 IDAQANYFLVSAJW-WMLDXEAASA-N 276.424 3.745 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 617782753 LYANWRQQBGMSHR-LLVKDONJSA-N 281.758 3.907 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1 617784565 UKHWLYIKMWHHFP-SNVBAGLBSA-N 283.293 3.532 30 20 CHED CCC(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1 628693453 AOYPXZYEYIYJLE-UHFFFAOYSA-N 284.359 3.692 30 20 CHED C=CCC1(C(=O)NCC2(c3ccccn3)CC2)CCCCC1 649382488 JNJWGTRXRXKYID-UHFFFAOYSA-N 298.430 3.756 30 20 CHED C=CCCN[C@@H](C)c1ccccc1OC(F)(F)F 658117469 VGXIPUBJDGVPOJ-JTQLQIEISA-N 259.271 3.812 30 20 CHED C=CCC1(NC[C@@H](OC)c2ccccc2)CCCC1 661851465 VLSYPYATFVPZOE-MRXNPFEDSA-N 259.393 3.853 30 20 CHED C=CC[C@H](C)NC(=O)Nc1nc(C(C)C)c(C)s1 667369909 JMGKIOCKFMPNPZ-VIFPVBQESA-N 267.398 3.661 30 20 CHED C=C(C)COc1cccc(NC(=O)C2CC3(CC3)C2)c1 668032013 PUZUBMSHCPDLNY-UHFFFAOYSA-N 271.360 3.770 30 20 CHED C=C[C@H](C)NC(=O)c1cnc(-c2ccc(C)cc2C)s1 674952616 LLWLJYLKPISYGB-LBPRGKRZSA-N 286.400 3.731 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-c2ccco2)s1 675800088 FSMFTYDYSKMHBY-JTQLQIEISA-N 261.346 3.703 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cc(C)ccc1OC 678834458 BREHBMPYSXUHTR-CQSZACIVSA-N 290.407 3.548 30 20 CHED C=C[C@H](C)NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 680570874 FMKDDFSYNVTRFH-AWEZNQCLSA-N 287.403 3.675 30 20 CHED C=CC[C@@H](CC)NC(=O)c1oc2c(F)cccc2c1C 684939667 UEVWTMMUMQDWLC-LLVKDONJSA-N 275.323 3.965 30 20 CHED C=C(C)CCNc1cc(C)n(-c2ccc(F)cc2F)n1 685204251 HAPWZCCUMVGWRW-UHFFFAOYSA-N 277.318 3.837 30 20 CHED C#CCN(C(=O)c1cc2cc(F)ccc2s1)C(C)C 688787487 HWPMJCOVEWQJJS-UHFFFAOYSA-N 275.348 3.524 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 716915799 KJNHUXNDWFDPSP-OUJBWJOFSA-N 274.751 3.586 30 20 CHED CC(=NNc1ccccc1F)c1ccc(O)c(F)c1 728426353 ZXZDSBADGKJZKL-UHFFFAOYSA-N 262.259 3.507 30 20 CHED C#Cc1ccc(C(=O)NC2CCC(C(C)(C)CC)CC2)cn1 728804313 FEXVKYKBDJAVBN-UHFFFAOYSA-N 298.430 3.788 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(F)cc1F 729148429 YQEAKHHUJOXWNE-UHFFFAOYSA-N 288.341 3.911 30 20 CHED C#CCOc1cccc(NC(=O)N(CCC)CC(C)C)c1 731109628 UQJXCYZYULKBRK-UHFFFAOYSA-N 288.391 3.599 30 20 CHED CC(C)COc1ccccc1C(=O)OCCCCC#N 731376191 HOTFOVVHRBWJQU-UHFFFAOYSA-N 275.348 3.572 30 20 CHED CCCCCC[C@H]1CCCC1=NNC(=S)N(C)C 731558522 WTDJOVGWJKBHOQ-LBPRGKRZSA-N 269.458 3.549 30 20 CHED CC(C)n1cc(C=NNc2ncc(Cl)cc2Cl)cn1 732711668 RLAPITYIEYYRGN-UHFFFAOYSA-N 298.177 3.612 30 20 CHED COCCC(=NNc1ccc(C)cc1)c1ccc(F)cc1 734744146 BVQAOURBJCIDSK-UHFFFAOYSA-N 286.350 3.987 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1nncc2ccccc12 747743793 GXKSNHWLXJGQLK-ZDUSSCGKSA-N 268.364 3.854 30 20 CHED CC(C)=CCCC(C)=NNc1ccccc1C(=O)O 749158811 SHYWOMANPWTYQP-UHFFFAOYSA-N 260.337 3.919 30 20 CHED CC(=NN=C(C)c1cc2ccc(C)cc2o1)c1cnccn1 754950943 WFSKFTQKIBUEQJ-UHFFFAOYSA-N 292.342 3.764 30 20 CHED CCCCCCCCNC(=O)c1ccc2nc(O)oc2c1 755146029 BEMPFZCHSNIZFS-UHFFFAOYSA-N 290.363 3.624 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)Oc2cc(F)cc(F)c21 758028404 FFFONTPAAYAKJC-QDEBKDIKSA-N 293.656 3.629 30 20 CHED C#CCCCCNC(=O)c1ccc(OCCC(C)C)cc1 758639454 HEQMFGMFPJHMNR-UHFFFAOYSA-N 287.403 3.645 30 20 CHED C/C(=C/C(=O)OCc1ccc(F)c(C#N)c1)c1ccccc1 758941521 WUBXPGHFYZUVEP-LCYFTJDESA-N 295.313 3.844 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1ccc2[nH]ccc2c1 759363917 ZOJNXVHHFYCQFA-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C=CCC(CC=C)C(=O)OCc1cnc(Cl)s1 760530825 COFTUJKWEWIJTD-UHFFFAOYSA-N 271.769 3.608 30 20 CHED C[C@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1(C)C 761226304 OLNQJNVNUPSZTK-INIZCTEOSA-N 299.462 3.904 30 20 CHED N#CC1(C(=O)OCCCSCc2ccccc2)CCC1 761401509 LDIXMPVRWNGQLQ-UHFFFAOYSA-N 289.400 3.547 30 20 CHED FC(F)Oc1ccccc1C=NOC/C(Cl)=C/Cl 763167439 CKZNRICEJPICFX-UTVCERBNSA-N 296.100 3.958 30 20 CHED C#CCN(Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 763951487 XXJLKCJNNTUOAH-UHFFFAOYSA-N 286.378 3.823 30 20 CHED O=C(/C=C\c1cccnc1)c1cc2c(s1)CCCC2 764432795 NJNZQPKMNDNMBL-FPLPWBNLSA-N 269.369 3.918 30 20 CHED CC(=NOCC(F)(F)F)c1ccccc1OC(F)F 764846570 KWJAQUIAUHPBCI-UHFFFAOYSA-N 283.196 3.591 30 20 CHED COc1ccc2ccccc2c1C=NOCC(F)(F)F 764847300 YTKRHRLWMRIQJX-UHFFFAOYSA-N 283.249 3.761 30 20 CHED CC1(C)CCCN(C(=O)C2CCCCCCC2)[C@H]1C#N 765169890 MSBBYOSDJYSZBX-HNNXBMFYSA-N 276.424 3.888 30 20 CHED C#C[C@@H](C)N(C)C(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 767236387 CJQIRTIEBGOIGV-HGKSCXNLSA-N 295.426 3.516 30 20 CHED N#CC1(COC(=O)c2ccccc2C(F)(F)F)CCC1 768105401 LQLCZIPMJDNBAO-UHFFFAOYSA-N 283.249 3.556 30 20 CHED CCCCCCCCC(=O)NC[C@@H](O)c1cccc(C)c1 768309380 AUBRFEBYNLNJBU-QGZVFWFLSA-N 291.435 3.895 30 20 CHED CCc1nc(CC(=O)OCCCCC(C)(C)C#N)cs1 768630653 IHUAINWZSUGQAG-UHFFFAOYSA-N 294.420 3.511 30 20 CHED CC(C)CNN=Cc1ccc(OC(F)F)c(Cl)c1 771557650 IYMNMHYGFPBQNE-UHFFFAOYSA-N 276.714 3.521 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1sccc1O 771744169 ITXCWDFHELKVRE-DUXPYHPUSA-N 266.268 3.628 30 20 CHED C=C(Cl)CN[C@@H](CC)c1ccc2c(c1)CCCO2 773004523 LSQXMXMLURFALK-AWEZNQCLSA-N 265.784 3.805 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)Oc2cc(F)ccc21 773172766 OQXLMZJPTZMZQU-RUDMXATFSA-N 281.695 3.552 30 20 CHED C#CCOc1ccccc1NCCCc1ccsc1 774372202 BIABHPZSOUNGQO-UHFFFAOYSA-N 271.385 3.805 30 20 CHED C1CC[C@@H]2CC(=NOC3CCOCC3)CC[C@@H]2C1 774458585 NDJANJDKZYBWFL-QWHCGFSZSA-N 251.370 3.528 30 20 CHED O=C1/C(=C\c2nc3c(s2)CCCC3)Cc2cc(F)ccc21 776266390 QPTOMMXINDRRGS-LUAWRHEFSA-N 299.370 3.983 30 20 CHED C=C(Cl)COC(=O)c1cc(C)n(C2CCCCC2)n1 776435760 MJVRUFIBGFKLMA-UHFFFAOYSA-N 282.771 3.606 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(N(C)C)cc1 777402324 WWIHTYOITRXCEF-HNNXBMFYSA-N 293.414 3.817 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NOCCC(F)(F)F 777455282 DLUVWETYQAQMMZ-UHFFFAOYSA-N 291.317 3.558 30 20 CHED CCc1ccc(C=NNc2cc(Cl)ccn2)s1 777905466 IKKFMQCMMBLIDD-UHFFFAOYSA-N 265.769 3.805 30 20 CHED CCCCCCCC(=O)N[C@H]1CC(=O)c2ccccc21 779447264 VHPPVUPACFUNCO-HNNXBMFYSA-N 273.376 3.791 30 20 CHED CCCCCCCC(=O)N[C@](C)(C#N)C(C)(C)C 779464314 PJRPNMGDNKRUHW-OAHLLOKOSA-N 252.402 3.791 30 20 CHED C#CCCCCCC(=O)Nc1cc(C)ccc1OC 779716138 SQXXAWNAFMOROA-UHFFFAOYSA-N 259.349 3.526 30 20 CHED C#CCCCCCC(=O)N(C)[C@H](C)c1ccccc1 779746146 NRCBKNLMISSPCF-OAHLLOKOSA-N 257.377 3.790 30 20 CHED C#CCCCCCC(=O)N(CC)[C@@H]1CCCC[C@H]1C 779908126 XYMXWYGJDVLVHG-HZPDHXFCSA-N 263.425 3.997 30 20 CHED Cc1cc(C=NNc2ccnc(F)c2)ccc1Cl 781125333 WOKOLBYPWCTIIZ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccc(C)cc1C 782617429 FFUHFBQVSRULQB-KRWDZBQOSA-N 276.376 3.575 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)OCCCC(C)(C)C#N 783233018 DZHFQCNPONWCAF-ZDUSSCGKSA-N 291.366 3.877 30 20 CHED CCOC(=O)Nc1ccc(N[C@H](CC)C(C)C)cc1C#N 783661741 SLALHYZMOOZMPM-CQSZACIVSA-N 289.379 3.973 30 20 CHED Cc1ccc(CCCC=NN=c2cc[nH]cc2)cc1C 783867630 SEYTWZFZSNVQNO-UHFFFAOYSA-N 267.376 3.541 30 20 CHED C[C@H](OC(=O)c1cc2ccccn2c1)c1cccc(C#N)c1 785996354 RQMWNKLFHOANHI-ZDUSSCGKSA-N 290.322 3.729 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC(CC)(CC)SC 787269961 ZSUILGQCSYOKHR-ZDUSSCGKSA-N 284.469 3.658 30 20 CHED N#Cc1cccc(C(=O)OCc2ccc(F)c(Cl)c2)c1 787569463 YPKXZPMPGGLYPL-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#CCC1(C(=O)Nc2cccc(F)c2F)CCCCC1 788172136 GOHZZDAZTPHHPG-UHFFFAOYSA-N 277.314 3.877 30 20 CHED CSCC(C)(C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 788186452 HMJRFEMPOXIQIE-SNVBAGLBSA-N 296.461 3.832 30 20 CHED COc1cc(NN=C(C)CC2CCOCC2)ccc1Cl 788472431 USOMLSSLVIYXOY-UHFFFAOYSA-N 296.798 3.953 30 20 CHED C=CCc1cc(CNC2CC(C)(C)C2)cc(OC)c1OC 788589195 QEGGDZINZDIFHX-UHFFFAOYSA-N 289.419 3.711 30 20 CHED O=C(O)[C@H]1CCC(=NOCc2ccccc2)c2ccccc21 788976359 XLSKZEDVOQHPAP-INIZCTEOSA-N 295.338 3.570 30 20 CHED CC(C)C(C=NN1Cc2ccccc2C1=O)C(C)C 789037598 OTGJGDQYEAKZQB-UHFFFAOYSA-N 258.365 3.556 30 20 CHED C/C=C(\CC)C(=O)Nc1cccc(C#Cc2ccccn2)c1 789614657 UVDYUGOOMXLHMF-HQYXKAPLSA-N 290.366 3.776 30 20 CHED CCC(=NNc1ncccc1C)c1ccc(C)cc1 790187774 ZWVQCMOHAODGHX-UHFFFAOYSA-N 253.349 3.925 30 20 CHED C[C@@]1(C=NNc2ccc(F)cc2F)CCCS1 792870748 SWBDZXZCDPXYSV-LBPRGKRZSA-N 256.321 3.648 30 20 CHED CC[C@@H](C)NN=C(C)[C@@H](C)c1ccc(OC)c(OC)c1 794535862 QJBGSYHMOLHXKA-VXGBXAGGSA-N 278.396 3.571 30 20 CHED Cc1ccc2cc(C(=O)/C=C/c3c(C)cnn3C)oc2c1 794714394 PLZZJQDZJPXTQY-VOTSOKGWSA-N 280.327 3.679 30 20 CHED Clc1cccc(CNN=C[C@H]2CCCSC2)c1 794919291 VTCOSJXZYSAFRU-GFCCVEGCSA-N 268.813 3.559 30 20 CHED Cc1ccc2c(C(=O)OCCCC#N)csc2c1 796360943 NKFFTHIZCDHTKW-UHFFFAOYSA-N 259.330 3.670 30 20 CHED CSc1cccc(F)c1C(=O)Oc1ccc(C#N)cc1 798344972 UUYKQVQYGMDJPG-UHFFFAOYSA-N 287.315 3.638 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc(C)c(F)c1 798375086 FFOQYLLPQWCNNY-LLVKDONJSA-N 266.385 3.775 30 20 CHED CCC1(CC)[C@@H](Nc2nc(Cl)c(C#N)s2)C[C@@H]1OC 804558641 PHPMKKLULSUTAG-UWVGGRQHSA-N 299.827 3.674 30 20 CHED C#C[C@H](NC(=O)N[C@@H](C)CCC)c1ccc(Cl)cc1F 804871487 JUYLKUSXYKEWTF-HZMBPMFUSA-N 296.773 3.641 30 20 CHED C=CCCCCCCNC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 805221888 XOJAFJNQTPGAHZ-CVEARBPZSA-N 293.451 3.881 30 20 CHED N#CCSCCCOC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 805570647 QKUKZLAKHGSGMC-RBSFLKMASA-N 295.448 3.783 30 20 CHED C=C(Cl)COC(=O)c1ccc(-c2ccccc2F)o1 806056564 YOSBIAYLVWQEJD-UHFFFAOYSA-N 280.682 3.995 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(C)cc1Cl 806101680 NDGHUPCRTXVWQH-LLVKDONJSA-N 264.756 3.572 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2scnc2C2CC2)c1 806558674 IWLIXJHSJDSTEH-SREVYHEPSA-N 299.351 3.615 30 20 CHED C=C(CNC(=O)c1nc(Cl)sc1C)c1ccccc1 807797550 HOTKDHMDUBUIHT-UHFFFAOYSA-N 292.791 3.548 30 20 CHED CC[C@H]1CCC1=NNC(=S)Nc1cc(C)ccc1F 807965810 LDWAKLWAMJBQJO-JTQLQIEISA-N 279.384 3.597 30 20 CHED CCOc1c(Cl)cccc1C=NNCC1CCCC1 808007093 OQMQIKPMYOCOKR-UHFFFAOYSA-N 280.799 3.852 30 20 CHED C#C[C@H](NCc1ccc(OC)c(O[C@@H](C)CC)c1)C(C)C 809685139 BICKRPQGZIMWQF-HOCLYGCPSA-N 289.419 3.620 30 20 CHED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)C(F)F 810354180 OABJWBBBHQNOOQ-UHFFFAOYSA-N 289.150 3.544 30 20 CHED CCC(=NNC[C@H]1CCSC1)C1CCCCC1 811658413 YNOJZDUHHVRRSL-GFCCVEGCSA-N 254.443 3.675 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(F)c1F)C2 811693296 HLWRUXJKZNZCGI-MDWZMJQESA-N 281.261 3.659 30 20 CHED C=CCCCCCCCNc1ccnc(C(=O)N(C)C)c1 811848272 XDOMMQQJEZJOOP-UHFFFAOYSA-N 289.423 3.722 30 20 CHED COc1ccc(F)cc1/C=C1\COc2c(C)cccc2C1=O 812241391 HKVUDZVHIZVXBU-MDWZMJQESA-N 298.313 3.801 30 20 CHED CON(C[C@H]1CCC[C@@H](C)C1)C(=O)CCCCCC#N 812423365 QZAZDSGBKXUKMZ-CABCVRRESA-N 280.412 3.677 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 814658104 MBXIVHOYBNUQNE-AWEZNQCLSA-N 288.391 3.650 30 20 CHED C#CCOCSc1nc(-c2ccco2)nc2ccccc12 814738264 WGOPLMBEGARZJX-UHFFFAOYSA-N 296.351 3.589 30 20 CHED COc1ccc(C(CCC(C)C)=NNc2cnccn2)cc1 814797001 ADFRWVYOFBOZNY-UHFFFAOYSA-N 298.390 3.738 30 20 CHED Oc1cccc(C=NNCc2ccccc2Cl)c1Cl 814812705 JGGHMNCFALWTKX-UHFFFAOYSA-N 295.169 3.823 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(C)nc1C 814824244 OCKZZUDHFJYVKU-UHFFFAOYSA-N 298.346 3.751 30 20 CHED FC(F)CNN=C1CCCC[C@H]1C1CCCCC1 814854706 UUJWDYCLNLRWCY-LBPRGKRZSA-N 258.356 3.968 30 20 CHED CC(C)[C@H]1CC(=NNc2ccc(F)c([N+](=O)[O-])c2)CS1 814904844 BDLOGMGSEVQBEG-CYBMUJFWSA-N 297.355 3.663 30 20 CHED CCC(=NNc1ccc(F)cc1OC)c1cccc(N)c1 814916170 RETTYXLDZMKIFX-UHFFFAOYSA-N 287.338 3.643 30 20 CHED CSCCON=C1CC(c2cc(F)cc(F)c2)C1 814922055 RKXJBEWXZHWFIS-UHFFFAOYSA-N 271.332 3.578 30 20 CHED Cc1cc(F)ccc1NN=C1CCc2cccnc2CC1 817325540 DKUIIOQZLUATBS-UHFFFAOYSA-N 283.350 3.876 30 20 CHED N#Cc1ccc(OCC[C@H]2CC2(Cl)Cl)c(F)c1 818078961 CBNVXXQATIWATI-VIFPVBQESA-N 274.122 3.660 30 20 CHED Cc1ccc(C2=CCN(c3cc(C)ncc3C#N)CC2)cc1 819903825 PSSJEBUHBAFPSQ-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1cc2cnccc2cc1OC 820529294 SSSKVMAVNYSFDR-UHFFFAOYSA-N 285.343 3.751 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](O)c1cccc(F)c1 823737017 REJZPTZGACHUDF-CZUORRHYSA-N 265.372 3.584 30 20 CHED Cc1cccc2oc(C(=O)N[C@@H](C#N)C3CCCC3)cc12 829369773 NTCHZKOABJTVPA-AWEZNQCLSA-N 282.343 3.553 30 20 CHED Cc1ccc(C2(C(=O)OCC3(C#N)CCC3)CCC2)cc1 830326470 QOLHUAQBRULRPL-UHFFFAOYSA-N 283.371 3.654 30 20 CHED CC(C)C[C@@H](C)OC(=O)N[C@@H](C)c1cccc(C#N)c1 830751446 WVGWNBNFRPVPCK-OLZOCXBDSA-N 274.364 3.780 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]([C@H]2CCCNC2)C1 831722064 RMSONBMAMVIMJA-DLBZAZTESA-N 294.483 3.585 30 20 CHED CC[C@@H](C)CC=Nn1c(S)nnc1-c1ccccc1 834923515 MHSCVFZRXQCCPT-LLVKDONJSA-N 274.393 3.504 30 20 CHED CCC(=NNCCCOc1ccccc1)C1CCC1 834957324 XNQBIRQABAYREE-UHFFFAOYSA-N 260.381 3.611 30 20 CHED C=CC(C)(C)C(=O)O[C@@H]1CCO[C@@H](c2ccc(C)cc2)C1 835251863 JMPFZAPUVKCVKL-HZPDHXFCSA-N 288.387 3.971 30 20 CHED C/C(=C/C(=O)NCC(C)(C)CC#N)c1ccccc1Cl 837888479 HWGMBZUYEIZALK-BENRWUELSA-N 290.794 3.799 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCCc2cccs2)C1 839041563 DMFGTVLAJKJBAP-OLZOCXBDSA-N 277.389 3.696 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCc2ccc3[nH]ccc3c2)C1 839049224 FJXOARLGJZPKRU-HOCLYGCPSA-N 296.370 3.726 30 20 CHED CCC[C@](C)(CC)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839059420 PNKCINROJSTXSU-IPYPFGDCSA-N 251.370 3.828 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCOCC1CCCC1 840710992 TZHXFJBIGKYLMY-UNOMPAQXSA-N 298.386 3.566 30 20 CHED CSc1ccc2c(c1)CC/C(=C\c1cc(C)n(C)n1)C2=O 840718018 WBHSOXVJDJSMQK-UKTHLTGXSA-N 298.411 3.663 30 20 CHED C#CCCCC(=O)N(CC)c1cccc(C(F)(F)F)c1 841350213 YEPDPMVOKKCONH-UHFFFAOYSA-N 283.293 3.862 30 20 CHED CO[C@H](C=NNc1ncccc1C(F)(F)F)CC(C)C 841618521 VUYBUESYLMFCGG-JTQLQIEISA-N 289.301 3.559 30 20 CHED CO[C@H](C=NNc1cc(F)c(F)cc1F)CC(C)C 841625299 FYNKNPVWMHKFLE-VIFPVBQESA-N 274.286 3.563 30 20 CHED CC[C@H](O)CNN=C1CCC[C@@H](c2ccc(Cl)cc2)C1 841640228 YCBZODAGLVDHJB-CJNGLKHVSA-N 294.826 3.714 30 20 CHED C#CCCCCNc1ncc(F)c(-c2ccsc2)n1 842030897 NJRHJOCWWDUJOB-UHFFFAOYSA-N 275.352 3.560 30 20 CHED C#CCCCCNC(=O)CCCc1ccc(SC)cc1 843564685 GFFBQSNWBYHAMP-UHFFFAOYSA-N 289.444 3.651 30 20 CHED C=C[C@@H](C)ONC(=O)c1cccc(NCC(C)(C)C)c1C 846663507 WGISFJPKPWSDFX-GFCCVEGCSA-N 290.407 3.689 30 20 CHED CN(C)Cc1ccc(-c2ccc(OCCC#N)cc2)cc1 846779605 NXNLMUMPJNFEFD-UHFFFAOYSA-N 280.371 3.708 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@H]1CCC(=O)[C@H]1C 847743852 JBKBQSIHIUXHDV-LBKYZSNHSA-N 292.419 3.916 30 20 CHED COC(=O)/C=C/c1ccc(/C=C/C(=O)C2CCCCC2)o1 848638289 FBKIGHXMMBZQEU-WGDLNXRISA-N 288.343 3.628 30 20 CHED CCn1cc(C(=O)/C=C\c2ccccc2C(C)C)cn1 848640229 JWIXOPCXDHXXTR-KTKRTIGZSA-N 268.360 3.923 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@H](C)n1ccnc1 851143508 LWLMTKRFIZCKQM-ZNMIVQPWSA-N 276.380 3.512 30 20 CHED Cc1cccc(O[C@H](C)C(=O)O[C@H](C)CC(C)(C)C#N)c1 851213027 CHQSKUIFEXRDOP-ZIAGYGMSSA-N 289.375 3.634 30 20 CHED C=CCCCCCN=[S@@](=O)(c1ccccc1)N(C)C 853724360 TXSVVXYUYGPSDU-IBGZPJMESA-N 280.437 3.737 30 20 CHED C#C[C@H](OC(=O)[C@H](C)c1c(C)noc1C)c1ccc(C)cc1 860964429 PVGOZVQXCUQLOQ-WBMJQRKESA-N 297.354 3.621 30 20 CHED C#Cc1cccc(NC(=O)CCCOc2ccc(F)cc2)c1 874510295 PSKMMCFCPXXFRW-UHFFFAOYSA-N 297.329 3.605 30 20 CHED Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@H](C)CCC#N 877593141 ZRBSZEBHZRAGAN-ZBFHGGJFSA-N 287.451 3.522 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCc2ccc(Cl)cc21 877659841 FAIJMSYLAPZGBE-ABAIWWIYSA-N 262.784 3.857 30 20 CHED C=CC(C)(C)CC(=O)N1CCSC[C@H]1c1ccccc1 889006545 FJFLHGUDEPPOEV-HNNXBMFYSA-N 289.444 3.905 30 20 CHED C=CC(C)(C)CC(=O)OCCCCc1nccs1 892986022 ACRSPDQONSUVRG-UHFFFAOYSA-N 267.394 3.611 30 20 CHED C=C1CCC(C(=O)Nc2cnn([C@H](C)CC)c2C)CC1 897551597 CXJMURMVRXCLGT-GFCCVEGCSA-N 275.396 3.847 30 20 CHED N#CC1(CCCC[S@@](=O)c2ccc(F)cc2)CCC1 899276219 LOVSUOGJEIPUAY-LJQANCHMSA-N 279.380 3.797 30 20 CHED Cn1nccc1CSCCCCC1(C#N)CCC1 901777063 BGFBIUQJUPLTSG-UHFFFAOYSA-N 263.410 3.517 30 20 CHED CCCCCOc1ccc(C(C)=NNc2ncccn2)cc1 912974103 LABGMVXMKPWCNK-UHFFFAOYSA-N 298.390 3.882 30 20 CHED CC(C)Oc1ccc(CC/N=C/c2ccccc2O)cc1 915113572 ZAFOBCBLIJBDQT-CPNJWEJPSA-N 283.371 3.841 30 20 CHED CC(C)Oc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1 915934396 AYJYEJCWVZVBJW-UHFFFAOYSA-N 299.330 3.828 30 20 CHED COc1cccc(NN=C2CSCc3ccccc32)c1 915956100 PVSCQLXPQUYLHL-UHFFFAOYSA-N 284.384 3.758 30 20 CHED COc1ccc(SCCCC#N)cc1Br 919579441 DLAFGOJBNKDCCE-UHFFFAOYSA-N 286.194 3.854 30 20 CHED Cc1ccccc1NC(=S)NN=C/C=C\c1ccco1 920362789 JZCJSXZTAGXNDH-PLBVDPBDSA-N 285.372 3.574 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCCCN1CCCCC1 925050805 VUZUUYRCSBJCEN-MRXNPFEDSA-N 279.472 3.561 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc2ccncc12 926089994 ZJUKEHOERWZQJY-GFCCVEGCSA-N 253.349 3.975 30 20 CHED CN(C)c1cc(NC(=O)CCCCCC#N)ccc1Cl 928716379 QLMNVGXQGOCBTD-UHFFFAOYSA-N 293.798 3.819 30 20 CHED N#Cc1ccsc1NC(=O)NC[C@H]1CCCCC1(F)F 931836375 XVCDAKSHIJIBBX-SNVBAGLBSA-N 299.346 3.567 30 20 CHED C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@H](C#N)C1 932156316 AUYTUUZFKKSCMS-NWDGAFQWSA-N 280.318 3.585 30 20 CHED CCc1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1CC 1116469397 AWZCQWKCNREOEM-UHFFFAOYSA-N 293.370 3.525 30 20 CHED CCCc1ccc(C[S@@](=O)CCC(C)(C)C#N)cc1 1116743714 CLFPXXFLMKJNKS-IBGZPJMESA-N 277.433 3.828 30 20 CHED C=C(C)CCC(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 1120648504 NLTCDAHZQKMYQV-AWEZNQCLSA-N 291.391 3.627 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2ccc3c(c2)CCCC3)n1 1163005046 IZRPKAIQUNFAHV-LBPRGKRZSA-N 292.386 3.709 30 20 CHED Cc1cccc(C2(CN=c3cc[nH]cc3C#N)CCCC2)c1 1185159253 VNNYEFRHDQUWGQ-UHFFFAOYSA-N 291.398 3.608 30 20 CHED COCc1cccc(NC(=O)Nc2cccc(CC#N)c2)c1 1205390048 IBNXRVLJPZGZDJ-UHFFFAOYSA-N 295.342 3.543 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(C#N)c(F)c1 1254230144 QHYTUABRXKZMPN-LBPRGKRZSA-N 295.317 3.773 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc(C#N)cc1Cl 1266045398 WAKDVWAASCBKAY-UHFFFAOYSA-N 295.729 3.644 30 20 CHED CC(C)(C)c1ccc(NN=C[C@@H]2CC=CCC2)nn1 1318580093 KDWNNWBNQPJKJQ-GFCCVEGCSA-N 258.369 3.528 30 20 CHED Cc1cscc1-c1nnc(COc2ccc(C#N)cc2)o1 1322081833 LJKQMJJXVNCOLQ-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CC[C@@H](C)[C@@H](C)c1nnc(-c2cccc(C#N)c2)o1 1325810577 OQYPKNYJRHQECQ-GHMZBOCLSA-N 255.321 3.758 30 20 CHED Cc1nc(CSCC2(CC#N)CC2)c(C)s1 1330684407 FLBCXRFSLRJAPK-UHFFFAOYSA-N 252.408 3.687 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Cl)cc1C#N 1331454803 XMHAIJKEEXDDAU-UHFFFAOYSA-N 274.751 3.734 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCCC[C@H]1SCC 1336390423 WCKDAMHTPXQOGQ-QWHCGFSZSA-N 255.427 3.523 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc2c(OC)cccc2[nH]1 1336761167 XULLUQVDTMZHMB-ZDUSSCGKSA-N 298.386 3.747 30 20 CHED C#Cc1ccc(N[C@H]2CCCc3sccc32)nc1 1337931524 LKOVRMOMMNYHAO-ZDUSSCGKSA-N 254.358 3.614 30 20 CHED C=CCn1cnnc1SCc1cccc(C(F)F)c1 1339653461 USBKLEYLIASXOT-UHFFFAOYSA-N 281.331 3.694 30 20 CHED C=C(C)Cn1c([C@@H](C)C2CCC2)nnc1N1C[C@H]2C=C[C@H]1C2 1342707743 OSKWTROSFXSYSM-DZKIICNBSA-N 298.434 3.523 30 20 CHED C=CCCN(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 1343431724 FCRXYMOATKRFES-UHFFFAOYSA-N 296.370 3.867 30 20 CHED CC[C@H](C)c1nnc(C(C)(C)c2cc(F)cc(C#N)c2)o1 1346661951 GBBOJAWDDQZIRL-JTQLQIEISA-N 287.338 3.920 30 20 CHED N#CC[C@H](OC(=O)CCc1ccc(F)cc1)c1ccco1 1350311731 OAUIURGYHNGHMS-HNNXBMFYSA-N 287.290 3.549 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(CC#N)cc1 1355888747 OGYQJZZYUVEJDG-CQSZACIVSA-N 278.355 3.803 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)c1ccc(F)c(C)c1 1439101806 MHQBNPGOQOPMDU-UHFFFAOYSA-N 296.345 3.981 30 20 CHED C[C@@H](CC(C)(C)C)Nc1ccc(Cl)c(C#N)n1 1458421286 XKBFGPLMVGAXST-VIFPVBQESA-N 251.761 3.843 30 20 CHED CCC(=O)c1cccc(NC(=O)c2ccccc2CC#N)c1 1466183845 SSAHDXJDSOTLLV-UHFFFAOYSA-N 292.338 3.598 30 20 CHED COc1ccc(OC)c(CSc2ccc(C#N)cc2)c1 1472979096 UYHUEMYWFKNBKA-UHFFFAOYSA-N 285.368 3.868 30 20 CHED Cc1cccc(C)c1CN(C)CCc1ccc(C#N)cc1 1473836506 DWAHZXHGMZEHFU-UHFFFAOYSA-N 278.399 3.850 30 20 CHED C[C@H](NCc1nc(Cl)cs1)c1cccc(C#N)c1 1474706161 YOHMDJONYRJRJQ-VIFPVBQESA-N 277.780 3.519 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2c(C)cccc2C)c1 1476740718 SQCPWUYFTYDROV-UHFFFAOYSA-N 293.370 3.805 30 20 CHED CC(C)CC[C@@H](NC(=O)N1CCC[C@@H](C#N)C1)C(C)(C)C 1477912279 HBQZWUKKYWIZOA-LSDHHAIUSA-N 293.455 3.782 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C)c(C)c1Cl 1518549615 NLKGBPSUBVHJCZ-GFCCVEGCSA-N 278.783 3.721 30 20 CHED Cc1nnc(SC[C@@H]2CCCC[C@@H]2C)c(C#N)c1C 1559358149 ZPDLUBSKNPIHIL-GWCFXTLKSA-N 275.421 3.884 30 20 CHED C=C(Cl)CN(CCCC)[C@@H]1CCCC[C@H]1OC 1559837277 SVPXTHABJYJYKP-ZIAGYGMSSA-N 259.821 3.799 30 20 CHED C=C(CC)CS[C@H](C)c1cccc(-c2nn[nH]n2)c1 1588444321 XGCWQPUVSXPGPE-LLVKDONJSA-N 274.393 3.627 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C1(C(=O)O)CC=CC1 1589645134 QIDYGZNKGSCVRN-CQSZACIVSA-N 295.423 3.520 30 20 CHED C[C@H](Sc1ncc(C(=O)O)s1)c1cccc(C#N)c1 1593678294 IVPGAZBBWGYQFO-QMMMGPOBSA-N 290.369 3.566 30 20 CHED C=CC[C@H](N[C@@H](C)c1cc(Cl)ccc1Cl)C(=O)O 1602841880 ILRNYNNQPOQZHT-UFBFGSQYSA-N 288.174 3.673 30 20 CHED N#Cc1ccc(SCCN2CCc3ccccc32)c(F)c1 1613566133 PJEGTRCDHVHCTP-UHFFFAOYSA-N 298.386 3.852 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc(F)cc1OC(F)F 1616669053 BFPMEEDBTCDPJA-VHSXEESVSA-N 286.297 3.770 30 20 CHED N#Cc1cnc(S[C@H]2CCOc3ccccc32)c(F)c1 1639614398 JRUZKIUVEFXWGH-AWEZNQCLSA-N 286.331 3.708 30 20 CHED CCc1nc(C#N)cc(NCC2(CC(C)C)CCC2)n1 1642437645 NJFUVYXIVUOKFN-UHFFFAOYSA-N 272.396 3.539 30 20 CHED C=C(Cl)CN[C@@](C)(CC)COc1ncccc1Cl 1653816455 YYEBYFOUZJFXQQ-ZDUSSCGKSA-N 289.206 3.625 30 20 CHED Cc1ccc(C#N)c(NCc2cccc(-c3cnco3)c2)n1 1655629992 RGNGBCIJRRCVTH-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CC[C@H](C)[C@@H](C)N(Cc1cc(C#N)ccc1OC)C1CC1 1657284273 LLUVFQCNVXVFOB-UONOGXRCSA-N 286.419 3.966 30 20 CHED Cc1cc(CN[C@@H]2CCC[C@H](C)CC2)ccc1C#N 1662242073 NMPDWCHNBYOLRS-SUMWQHHRSA-N 256.393 3.925 30 20 CHED Cc1c(NN=Cc2ccc3occc3c2)cccc1C(=O)O 1776088094 OWTSRYGMEQCEKL-UHFFFAOYSA-N 294.310 3.885 30 20 CHED C=CCCCN(CC)[C@H](C(=O)O)c1ccc(F)c(Cl)c1 1776174079 PKRUBCZCONNTGI-AWEZNQCLSA-N 299.773 3.893 30 20 CHED C=CCN(CCC(=O)O)Cc1c(C)ccc2ccccc12 1776177914 DWCLZYOUTYQZJE-UHFFFAOYSA-N 283.371 3.611 30 20 CHED Cc1ccc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)c(C)c1 7042306 GQQLMLDKZLURGZ-CQSZACIVSA-N 293.370 3.614 30 20 CHED CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C#N)cc1 7886390 ANYXFLDVARCKBG-KRWDZBQOSA-N 291.354 3.535 30 20 CHED N#Cc1ccc(OCc2c(F)cccc2Cl)cc1 11895090 BOERUXNSCSJCPK-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1cccc(C)c1OCCOc1ccc(C#N)cc1 11994763 RSLGGTKQIGKISF-UHFFFAOYSA-N 267.328 3.633 30 20 CHED N#Cc1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1 14806967 QKLFDKQQBPHXCN-UHFFFAOYSA-N 297.383 3.536 30 20 CHED CN(Cc1cccc(C#N)c1)[C@H]1CCc2ccccc21 22761309 BPWITEIRYGZXMF-SFHVURJKSA-N 262.356 3.678 30 20 CHED CCN(CC)CCC[C@H](C)N[C@H](C)c1cccc(C#N)c1 37200929 IXRXYKMDCFFOOI-JKSUJKDBSA-N 287.451 3.719 30 20 CHED N#Cc1cccc(CNCc2cccc(Cl)c2)c1 37488745 XCXDCNPZZSYZIJ-UHFFFAOYSA-N 256.736 3.501 30 20 CHED Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(C)cs2)c(C)c1 41517546 JCUAEVIDWHCRAZ-OAHLLOKOSA-N 298.411 3.877 30 20 CHED C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CC(C)(C)O1 41680746 AKRRYTLJZFQLSB-JTQLQIEISA-N 298.308 3.581 30 20 CHED C=CCOc1cccc(NC(=O)/C=C/c2ccsc2)c1 48948404 AGZRHLBUFUVATC-VOTSOKGWSA-N 285.368 3.965 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(F)cc2)cc1 49900984 RPJSCEWHSNAFQS-QGZVFWFLSA-N 296.345 3.725 30 20 CHED C=C(C)CN(CC)Cc1ccc(F)c2cccnc12 51559863 YPRXKVPMKYCWKM-UHFFFAOYSA-N 258.340 3.772 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)C(C1CC1)C1CC1 51645248 IATMGQXBWBHZSR-UHFFFAOYSA-N 283.375 3.519 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2CC=CCC2)cc1 57682366 DTINYTLQRVNQKN-HNNXBMFYSA-N 268.360 3.598 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccc(C#N)cc1 60612983 CEWXDSIRFGBGAK-ZDUSSCGKSA-N 258.365 3.504 30 20 CHED N#CC1(C(=O)N[C@@H]2CCCc3sccc32)CCCCC1 61366819 LNAMPNMMGOWLIX-CYBMUJFWSA-N 288.416 3.716 30 20 CHED O=C(/C=C/c1ccsc1)c1ccc(N2CCOC2=O)cc1 64331705 BLVSAIBBHRHTAQ-LZCJLJQNSA-N 299.351 3.601 30 20 CHED CCCCCC[C@@H](C)/C(O)=N/S(=O)(=O)CCCC 76761972 VHPBGHOLXNKPGF-GFCCVEGCSA-N 277.430 3.679 30 20 CHED N#Cc1ccc(CNc2cc(C(F)(F)F)ccn2)cc1 78592009 VRSIVDTWVVXIGE-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2sccc2C)o1 83536168 PIBDTJNKWWTBPT-GQCTYLIASA-N 290.340 3.722 30 20 CHED C[C@@H]1CCC[C@H](NC2CC(C#N)(c3ccccc3)C2)C1 86036679 IKVKHJLHRFRLQH-SEEUUAMPSA-N 268.404 3.779 30 20 CHED CC[C@@H](C#N)Oc1cc(CN[C@@H](C)C(C)C)ccc1OC 89632460 CKNZYSYRYFJJPG-ZFWWWQNUSA-N 290.407 3.510 30 20 CHED Cc1cc2cc(CN(C)[C@@H](C)CC#N)oc2cc1C 93090880 KYVHZRAOOWVSTP-ZDUSSCGKSA-N 256.349 3.784 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cn1 96603053 MLOQFYINEKKIJV-DJWKRKHSSA-N 281.142 3.623 30 20 CHED C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccc(C#N)cc1 107549442 YGHVSNOUDYSBLK-GFCCVEGCSA-N 289.338 3.531 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(F)(F)F 108998596 AGOZRBVAWJCCDX-QMMMGPOBSA-N 288.294 3.582 30 20 CHED N#Cc1ccc(N2CCCCC2)c(C(F)(F)F)c1 113391638 YVGSMEDVTMOQGM-UHFFFAOYSA-N 254.255 3.567 30 20 CHED CCN(CC)C(=S)S[C@@H](C#N)C1CCCCC1 115185049 FLOKMWQPEQKTKI-LBPRGKRZSA-N 270.467 3.819 30 20 CHED C[C@H](CC(=O)N(C)c1cccc(C#N)c1)c1cccc(F)c1 116004799 AVFFEZSAXJHTOB-CYBMUJFWSA-N 296.345 3.854 30 20 CHED N#Cc1ccc(CNC2(c3nccs3)CCCC2)cc1 116373972 RIWYDACQOPSCQK-UHFFFAOYSA-N 283.400 3.574 30 20 CHED CSc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cn1 119382901 WKIFMKCXKUSWBL-GFCCVEGCSA-N 299.399 3.706 30 20 CHED C#CCCCCC(=O)NC(C)(C)Cc1ccccc1C 120093930 ZEIIIBXARFZPBU-UHFFFAOYSA-N 271.404 3.626 30 20 CHED Cc1ccccc1-c1nnc(SCCCCC#N)n1C 121119706 PNXSVCMIAJVKMW-UHFFFAOYSA-N 286.404 3.577 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc(O)c1)c1ccccc1 121632662 UZDZRBYJPFZCQS-ZDUSSCGKSA-N 267.328 3.691 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CC12CCOCC2)c1ccccc1 123046490 ZPGQUQLCLZQVTD-IRXDYDNUSA-N 299.414 3.627 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1C[C@@H](C)O 124922347 IHTACUKZWNJHIS-HZPDHXFCSA-N 283.456 3.889 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccc(C(C)(C)C)cc1 125096379 KLXAFVFWWKJEAS-QGZVFWFLSA-N 270.825 3.985 30 20 CHED CN(Cc1cccc(F)c1)C(=O)Nc1ccc(CC#N)cc1 125320549 XTXQFCNJXULPKX-UHFFFAOYSA-N 297.333 3.556 30 20 CHED CC(C)(CCC#N)CN1CCC(C(F)(F)F)CC1 127204776 ONJBTVBTGWRRIZ-UHFFFAOYSA-N 262.319 3.591 30 20 CHED COc1ccc(C#N)cc1CSc1nc(C)cs1 129271489 CNWZZYMOJHFGGA-UHFFFAOYSA-N 276.386 3.624 30 20 CHED Cc1ccc(Cl)cc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 129508169 PZIBJCVWFGVPSI-ZBEGNZNMSA-N 290.794 3.851 30 20 CHED C=CCC[C@@H](C)Nc1cccc(N2CCCC2=O)c1 130597057 JFHAICPPZNPLPX-CYBMUJFWSA-N 258.365 3.580 30 20 CHED Cc1ccc(C#N)cc1OCc1ncc(C(C)(C)C)o1 132421358 QNQJPCBPOKTVAU-UHFFFAOYSA-N 270.332 3.731 30 20 CHED C=C[C@H](CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 135022273 PNIAYRQOFCCCBT-MDZRGWNJSA-N 296.414 3.935 30 20 CHED N#Cc1cc(Cl)ccc1N[C@@H]1CCCSC1 135494007 AZHUZOHZXVSANA-LLVKDONJSA-N 252.770 3.519 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 136964354 OQLPNIITBQWEKC-AWEZNQCLSA-N 282.368 3.678 30 20 CHED CN(C(=O)[C@@H]1CCCc2ccccc21)c1cccc(C#N)c1 143613700 OHHBMDSGPVOFCZ-GOSISDBHSA-N 290.366 3.641 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCCOC)cc1 151703999 YONDKKUXQYULNX-CYBMUJFWSA-N 283.799 3.505 30 20 CHED COc1ccccc1/C=N/OCc1csc(C2CC2)n1 152728011 UQWISPLLYMROBP-LZYBPNLTSA-N 288.372 3.580 30 20 CHED Cc1ccc2[nH]c(C(=O)N(CC#N)C3CCCC3)c(C)c2c1 154541512 OUNPSFOQKPBTOZ-UHFFFAOYSA-N 295.386 3.693 30 20 CHED Cc1cc(F)cc(NCc2ccc(F)c(C#N)c2)c1 155036858 PZOPVTGAJHXGBY-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCSc1ccccc1OC[C@H](C#N)CCC#N 155288963 BRMSBZQIRYLGMZ-LBPRGKRZSA-N 260.362 3.621 30 20 CHED C=CCC[C@@H](NC(=O)N[C@@H](C)C=C)c1ccccc1 159300619 VSULFQUVXQNZMF-DZGCQCFKSA-N 258.365 3.568 30 20 CHED N#CCCCCNCc1cccc(Cl)c1Cl 163863038 JEDKMGOYTFERGF-UHFFFAOYSA-N 257.164 3.777 30 20 CHED CCCOc1cc(C)ccc1NC(=O)NCCCCC#N 171375544 PIDLOEIWAUDJGR-UHFFFAOYSA-N 289.379 3.599 30 20 CHED CCCCCC(=O)N[C@@H](C#N)c1ccccc1Cl 172031811 VBVXNJIMTSZQGF-ZDUSSCGKSA-N 264.756 3.601 30 20 CHED CSCCCCC(=O)[C@@H](C#N)c1nc2ccccc2o1 172545643 VJIOZNAJWMKQQD-LLVKDONJSA-N 288.372 3.537 30 20 CHED C[C@H]1CCC[C@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 172748017 HZTKENBKHJUDCC-YOEHRIQHSA-N 296.414 3.876 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1ccc(F)c(F)c1 173928688 WNCCVUDJZLWEKD-LLVKDONJSA-N 284.302 3.552 30 20 CHED CN(CCCOc1ccc(F)cc1)CCCC(C)(C)C#N 174820027 BDRXOYYIMNOZPQ-UHFFFAOYSA-N 292.398 3.856 30 20 CHED C[C@H]1CCC[C@H](NC(=O)c2cccc(SCC#N)c2)C1 175573137 HJPUCBKIHLEFDT-JSGCOSHPSA-N 288.416 3.611 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 176090941 YRUXQHJZUWWTPW-MRXNPFEDSA-N 289.354 3.741 30 20 CHED Cc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 177552455 PQNSQABDPCDPKH-AWEZNQCLSA-N 266.344 3.898 30 20 CHED C=CCN1CCC(N[C@H](Cc2cccc(C)c2)C2CC2)CC1 177913271 QPHUEDKJIRWAQW-HXUWFJFHSA-N 298.474 3.556 30 20 CHED N#Cc1cccc(CN(CC2CCC2)CC(F)(F)F)c1 178457619 BSJARWNRSMWNLA-UHFFFAOYSA-N 282.309 3.723 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2C)CC1 178558744 OBXGRDFIBYNSPR-AWEZNQCLSA-N 285.391 3.911 30 20 CHED C=CCCCC(=O)N(C)c1cccc2ncccc12 179082405 NTLVMJASFFTGMN-UHFFFAOYSA-N 254.333 3.554 30 20 CHED COc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1 181129828 FSDUULKOIPUWOV-CYBMUJFWSA-N 282.343 3.598 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCOc1ccccc1 182618593 PVJVQFUBVNNEEG-HNNXBMFYSA-N 275.392 3.707 30 20 CHED C=C[C@H](CC(=O)Nc1c(C)cccc1O)c1ccccc1 183043548 HDGPRFDOLARTLA-CQSZACIVSA-N 281.355 3.999 30 20 CHED C=C(C)CN(CC)Cc1c(C2CC2)nc2sccn12 183476300 DCJBREAFLYYTRW-UHFFFAOYSA-N 275.421 3.671 30 20 CHED N#CCc1ccc(NCc2cccc(OC(F)F)c2)cc1 185147719 QEFWUBLBHRPSNU-UHFFFAOYSA-N 288.297 3.966 30 20 CHED CC#CCCCC(=O)N(C)[C@H](C)c1cc(F)ccc1F 185210557 WVZXKXRQCOSVNM-GFCCVEGCSA-N 279.330 3.678 30 20 CHED CCOc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 185866046 JOVRUYQFTANSRT-IUODEOHRSA-N 292.810 3.911 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1cccc(F)c1C#N 186040686 WNMOMJAETXDSAX-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C#C[C@H](C)NC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 186103145 HWTVIFVKBNTPTI-STQMWFEESA-N 284.359 3.547 30 20 CHED CCCCOc1ccc(C(=O)N[C@@H](C#N)CC)c(Cl)c1 186672094 ZLDRFEFJDMKCER-LLVKDONJSA-N 294.782 3.551 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCSC2(CCCCC2)C1 188496436 VOAQUIXMMHZADW-HNNXBMFYSA-N 281.465 3.867 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)Cc2ccccc2)CCC1 191155554 CDGJRQXSJVJBHM-INIZCTEOSA-N 271.404 3.870 30 20 CHED CN(C(=O)c1ccoc1Cl)c1cc(Cl)ccc1C#N 192334937 ZGXDVBQRKBMSBC-UHFFFAOYSA-N 295.125 3.735 30 20 CHED COc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1Cl 193075442 LJDDOTNBHQAFLH-MNOVXSKESA-N 264.756 3.843 30 20 CHED CSc1ccccc1NC(=O)c1ccccc1OCC#N 194078749 CGNGEUGZXSDDKI-UHFFFAOYSA-N 298.367 3.563 30 20 CHED CCN(Cc1ccc(C#N)cc1Cl)CC1CCC1 230316571 FGYHFHFTSDGNHU-UHFFFAOYSA-N 262.784 3.834 30 20 CHED CSCCCCCCNc1cc(C#N)ccc1[N+](=O)[O-] 231779290 QNSKJESRFBGOOF-UHFFFAOYSA-N 293.392 3.802 30 20 CHED C[C@H]1CCC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 235654620 NRVWTEUXENWVOW-JGVFFNPUSA-N 255.774 3.659 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCN2CCC[C@H]2C1 250795128 AOOIEBCGQGVXEZ-BBWFWOEESA-N 266.473 3.952 30 20 CHED Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1C 252460334 DPODLIJMMLESBA-UHFFFAOYSA-N 270.288 3.668 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccsc2)c1 255085671 CPWUVCOZPBUSDI-WAYWQWQTSA-N 258.342 3.791 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@@H]1C/N=C\c1ccccc1O 255630151 ZHJGOPMNJGFVEC-UAGIMAPYSA-N 275.392 3.652 30 20 CHED CCc1ccc(C=NOCc2ccc(Cl)nc2)cc1 255697712 YEIQZJBRLIRMJQ-UHFFFAOYSA-N 274.751 3.848 30 20 CHED CCC(C)(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 263815511 WLBMQVKZPRIWPY-UHFFFAOYSA-N 297.320 3.609 30 20 CHED CC(C)(C)CCCC(=O)Nc1cccc(OCC#N)c1 264043367 JSPCPRIHBUSUEM-UHFFFAOYSA-N 274.364 3.744 30 20 CHED N#Cc1c(Cl)nsc1N1CCCc2ccccc2C1 264395945 LILFVTGOKUUXAZ-UHFFFAOYSA-N 289.791 3.621 30 20 CHED N#CC1(C(=O)Nc2ccc(N3CCCCCC3)cc2)CCC1 265448118 CFNNNSDUWIPYKU-UHFFFAOYSA-N 297.402 3.699 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 266519945 ZJMUYHKEDQFGKW-KGLIPLIRSA-N 292.382 3.905 30 20 CHED N#Cc1nc(N[C@@H]2CCO[C@H]2c2ccccc2)ccc1Cl 267055359 OHUKQTVHUYLAQL-CJNGLKHVSA-N 299.761 3.549 30 20 CHED COCCN(CCc1ccccc1)CC(C)(C)CCC#N 271065481 IWLYLVYJAWQKEX-UHFFFAOYSA-N 288.435 3.507 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccccc1Cl)C1CC1 271467592 QSWNUVBESHNPHN-LLVKDONJSA-N 278.783 3.761 30 20 CHED C=CCN(CCc1ccco1)C(=O)CCc1cccs1 272509988 OTMINWRNORLZFM-UHFFFAOYSA-N 289.400 3.531 30 20 CHED C=CCCN(C)C(=O)N[C@H](C(=C)C)c1ccc(F)c(F)c1 276075242 KLSMBHSVDLOAQU-OAHLLOKOSA-N 294.345 3.800 30 20 CHED C=CCOCCCC(=O)Nc1c(Cl)ccc(F)c1C 279206195 LVIMWGXIZQHWSS-UHFFFAOYSA-N 285.746 3.709 30 20 CHED CC[C@H](C#N)Nc1ccc(F)cc1OCCC(F)(F)F 283906152 UVUNHWRLUYXJRD-SNVBAGLBSA-N 290.260 3.871 30 20 CHED CC[C@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(C#N)cc1 287183595 CTSDUOSTYWMDJH-UONOGXRCSA-N 282.309 3.940 30 20 CHED C=CCCCCCCNC(=O)c1cnc(C)nc1C1CC1 287295963 ZCODCPZOLSTRFS-UHFFFAOYSA-N 287.407 3.529 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccc(C2=CCCC2)cc1 290272378 BKAHOJWDFCOEEG-CYBMUJFWSA-N 268.360 3.628 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)c1noc(COC(C)C)n1 291028289 YGQWBGKZCORJHM-KBPBESRZSA-N 295.427 3.780 30 20 CHED CCCCc1nc2cc(NC(=O)CCCC#N)ccc2[nH]1 292434746 VGKKAKCVYZTRLS-UHFFFAOYSA-N 284.363 3.538 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(COC)c1 292605021 KADVAUGVGTWMRL-UHFFFAOYSA-N 276.380 3.557 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccccc1COC 292803255 YUMYNDATPJCHAS-UHFFFAOYSA-N 276.380 3.557 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC1(F)F 294485533 DPXATDUVRSXMOD-NXEZZACHSA-N 296.342 3.675 30 20 CHED COCC1CCC(N[C@H](CCC#N)c2ccccc2)CC1 295705555 MPRBNQYOXARNGB-VMWRSERWSA-N 286.419 3.826 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(OC)c(Cl)cc1OC 297791048 JKMWWOAIFKKEIL-UHFFFAOYSA-N 283.755 3.508 30 20 CHED C=C(Cl)CN[C@@H](CC)c1nc(C(F)(F)F)cs1 298712831 AUBGQCSJBAFKQQ-ZETCQYMHSA-N 284.734 3.955 30 20 CHED N#Cc1ccc(N[C@@H]2CCCN(c3cccc(F)c3)C2)cc1 301318993 QIYJAGLRCRBWEU-QGZVFWFLSA-N 295.361 3.778 30 20 CHED C[C@@]1(CNc2cc(Cl)ccc2C#N)CCCC[C@@H]1O 301497149 UNIXQMGVQPIKOA-GJZGRUSLSA-N 278.783 3.565 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CCN(C)c1ccccc1 303720928 RRXHIOJKXRMIQN-MRXNPFEDSA-N 293.414 3.687 30 20 CHED C=CCCCOC(=O)CCc1cc(Cl)cs1 303849142 NDDTWQRZRWNHHR-UHFFFAOYSA-N 258.770 3.844 30 20 CHED C=CCCCNc1cc(F)ccc1OC[C@H]1CCCO1 303894183 SCHXQIVEVXITDS-CQSZACIVSA-N 279.355 3.762 30 20 CHED C=CCCCN[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 309860593 HYZUONWFUBSZMI-LSDHHAIUSA-N 296.455 3.626 30 20 CHED Cc1nc(N(C)CCc2ccccc2)c(Cl)cc1C#N 312530824 JUWHKCBFEOLOFB-UHFFFAOYSA-N 285.778 3.594 30 20 CHED N#CCc1cccc(NCc2ccc(F)c(F)c2)c1 313490225 HCKLTOLVEHETHD-UHFFFAOYSA-N 258.271 3.643 30 20 CHED C#CCOc1ccccc1CNCC(C)(C)c1ccccc1 314536549 IGKPFXZGPBXUIB-UHFFFAOYSA-N 293.410 3.766 30 20 CHED C=CCC[C@H](CO)N[C@H]1C[C@H](C)Sc2sccc21 320804730 WGIIJAFHATZGJK-LOWVWBTDSA-N 283.462 3.590 30 20 CHED Cc1ccc(-c2ncco2)cc1N=C(O)N1C[C@@H]2CCC[C@H]21 328898154 XXGLZRKOJAJVNU-DZGCQCFKSA-N 297.358 3.680 30 20 CHED CC[C@H]1C[C@H](C(O)=Nc2cnc3c(c2)CCCC3)CCO1 329326220 WMUYJRBISWBJIC-HIFRSBDPSA-N 288.391 3.754 30 20 CHED N#CC1(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1 329759696 PEOWNNHERYYIIY-BFHYXJOUSA-N 260.381 3.996 30 20 CHED OC(=Nc1cccc2ocnc12)[C@@H]1CCCSC1 329790960 DDOQXEGCANAHBN-SECBINFHSA-N 262.334 3.559 30 20 CHED COC(=O)C1(C/N=C(/O)C2=C(C)CCC2)CCCCC1 330849630 ZHGIEJITWIVJGP-UHFFFAOYSA-N 279.380 3.567 30 20 CHED Cc1cc(C)c(N/C(O)=N/CCCC(C)C)c(C)n1 331226143 CNOQOQGFMUXYAB-UHFFFAOYSA-N 263.385 3.769 30 20 CHED Cc1nc(C/N=C(/O)c2scnc2C(C)C)sc1C 331326226 OQQDORGJTPZCLQ-UHFFFAOYSA-N 295.433 3.845 30 20 CHED Cc1nc(C(C)(C)C)sc1/C(O)=N/C[C@@]1(C)CCCO1 331329866 SFLMEVALFTYASE-OAHLLOKOSA-N 296.436 3.623 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)c(Cl)c1 334533380 HFYHVSGTQBGNBP-SNVBAGLBSA-N 298.720 3.780 30 20 CHED C=CCCCCCN(C)C(=O)c1c[nH]c(C(F)(F)F)c1 340620052 MUUYEXVKKNFACE-UHFFFAOYSA-N 288.313 3.852 30 20 CHED C=CCCN(C)C(=O)c1csc(-c2cccs2)n1 342009880 KHRMIKGRASFVJL-UHFFFAOYSA-N 278.402 3.520 30 20 CHED N#Cc1ccc(NC(=O)C23CCC(CC2)C3)cc1Cl 342197823 ZUFWMKMWTNJEET-UHFFFAOYSA-N 274.751 3.730 30 20 CHED CCO[C@@H](CCNc1cc(C)nc(C#N)c1)C1CCCC1 342816440 HUZITAWXJZOZGR-KRWDZBQOSA-N 287.407 3.659 30 20 CHED N#CC1(CN2CCC[C@H]2c2ccc(Cl)cc2)CC1 343241200 XYJZLQDHJNQSGN-AWEZNQCLSA-N 260.768 3.781 30 20 CHED C=CCCN(C)Cc1c[nH]nc1-c1ccc(Cl)cc1 343450229 WSJPVXDPKHMDAU-UHFFFAOYSA-N 275.783 3.738 30 20 CHED CCN(CC#N)C(=O)c1ccc2c(c1)oc1ccccc12 350074168 KNIBPKLSWCYNHV-UHFFFAOYSA-N 278.311 3.572 30 20 CHED Cc1cc(CN(CCC#N)CCC(C)C)ccc1F 353417608 UQSYWSXHLLEOLW-UHFFFAOYSA-N 262.372 3.896 30 20 CHED Cc1ccsc1-c1noc(-c2cc(C#N)cs2)n1 354069595 ITQDNVPIUNYBSQ-UHFFFAOYSA-N 273.342 3.707 30 20 CHED N#CCN(Cc1cc(O)cc(C(F)(F)F)c1)C1CCCC1 356143360 YEZYUXDTCRYMJF-UHFFFAOYSA-N 298.308 3.679 30 20 CHED C[C@H](C[S@@](=O)Cc1ccc(C#N)cc1)c1ccccc1 359412306 NTAAGGSEEBCLSD-JLTOFOAXSA-N 283.396 3.611 30 20 CHED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCCCO1 360876015 YCXUGFLALKBERR-GDIGMMSISA-N 298.430 3.873 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)cc1C#N 369199539 XTYBCTLSAYCKTB-KRWDZBQOSA-N 282.387 3.662 30 20 CHED C=C(CC)CN[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 379659002 XZWZLMWQMCTDJI-WMZOPIPTSA-N 272.436 3.595 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1cccc([N+](=O)[O-])c1 386537785 ILWOCJWKCHTJQM-GFCCVEGCSA-N 297.314 3.670 30 20 CHED CC(C)c1ccc(Sc2cncc(C#N)n2)cc1 401254812 LCTHJWUKKVLOTG-UHFFFAOYSA-N 255.346 3.623 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccccc1CCC(F)(F)F 410566636 YZUWLULDOJQFCT-YGRLFVJLSA-N 296.292 3.670 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N1CC2(CCCC2)c2cccc(F)c21 410768028 OPSPBNSIXIVNHF-XIKOKIGWSA-N 298.361 3.534 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(C(C)(C)C)s1 410826740 JAUIHOWZULOJDG-LLVKDONJSA-N 278.421 3.810 30 20 CHED Cc1cncc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 410931402 UGQDTBLLNVMTMA-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C[C@H](O)C[C@@H]1CCCCCN1CCC1(C#N)CCCCC1 411715840 DJBHVUQEMRMWGL-IRXDYDNUSA-N 292.467 3.866 30 20 CHED Cc1oc(-c2ccccc2)nc1CSCCC#N 413010339 GCWKSEVWEJNLQZ-UHFFFAOYSA-N 258.346 3.797 30 20 CHED Cc1cc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c(C#N)cc1N(C)C 415698632 ZSJVRSTZGFJUEK-KDOFPFPSSA-N 299.418 3.553 30 20 CHED C=CCCCNc1cc(OC)c(Cl)c(OC)c1 417054067 UHNSTPLODARXCB-UHFFFAOYSA-N 255.745 3.735 30 20 CHED C=CCCC1(c2nc(-c3ccc(SC)cn3)no2)CC1 420516513 YGGVCHHBYQENMN-UHFFFAOYSA-N 287.388 3.851 30 20 CHED C=CCOc1ccc(CN[C@@H]2C[C@H]2C2CCC2)cc1OC 424192533 JDAGNBSZYKGXHV-JKSUJKDBSA-N 287.403 3.538 30 20 CHED C=C(C)C(C)(C)C(=O)NC1CCN(C2CCCCC2)CC1 424698849 CWCIRRDPHIBYGS-UHFFFAOYSA-N 292.467 3.502 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1C(F)F)OCC 425076089 QYTBVBYNHUHESA-CYBMUJFWSA-N 283.318 3.934 30 20 CHED C=CC[C@H](C(=O)NC[C@H](C)C(F)(F)F)c1ccccc1 427816617 CGLQUPFHSZRLDB-AAEUAGOBSA-N 285.309 3.661 30 20 CHED Cc1cc(C)c(C#N)c(SCCOC2CCCC2)n1 431940396 WXGRTYALKQKGAI-UHFFFAOYSA-N 276.405 3.621 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](CC)c1c(C)noc1C 432078683 QXYMSZBRKONVHX-ZDUSSCGKSA-N 293.411 3.644 30 20 CHED N#Cc1ccc(SCC#Cc2ccc(F)cc2)c(F)c1 433392162 YQCPKUDHBAGZRA-UHFFFAOYSA-N 285.318 3.980 30 20 CHED Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 435357828 LJJDCYRYDVELRI-UHFFFAOYSA-N 294.354 3.906 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@@H]1CCOc2c(F)cccc21 437075752 MFDRDXDZRCFJKB-LALPHHSUSA-N 263.356 3.840 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1ccc(F)c(C)c1 437882314 HTFSOYGVJBAPSS-CXAGYDPISA-N 293.382 3.540 30 20 CHED COc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H](C)C#N 438209358 HPCAWIUVRPAOTL-LBPRGKRZSA-N 296.326 3.586 30 20 CHED CCCOc1cc(C)ccc1CN[C@@H]1CC[C@@H](C#N)C1 442762026 DSIWIVAFEQFLBR-GDBMZVCRSA-N 272.392 3.566 30 20 CHED Cc1cc(CNc2ccc3c(c2)CCC3)ccc1C#N 443985065 XRPJISTZBILSSG-UHFFFAOYSA-N 262.356 3.968 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 444023311 PHPPNHKXDRQBJN-QLFBSQMISA-N 293.455 3.782 30 20 CHED Cc1sc(CN[C@H]2CCC[C@H](C#N)C2)nc1C(C)C 447528378 ISJNTAGIVOOAII-STQMWFEESA-N 277.437 3.747 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1F 448898424 VQOQTXUINMQHGY-WWGRRREGSA-N 288.366 3.723 30 20 CHED N#Cc1cccc(CNC2CCC(OC3CCCC3)CC2)c1 449073506 ITUGDRDRWPEYRL-UHFFFAOYSA-N 298.430 3.918 30 20 CHED CC1(C#N)CCC(NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)CC1 449187765 MWWDWOZAEPSBJT-GKOUYXRBSA-N 280.415 3.634 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cccc(OC(F)(F)F)c1 450674956 CNWYBNLBARMQGU-NSHDSACASA-N 298.308 3.930 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C)nc1C(C)C 452425294 RSQHJQZMYZRGGH-UHFFFAOYSA-N 274.408 3.846 30 20 CHED C=CCC1(NC(=O)Nc2nc(C)c(C)o2)CCCCC1 454319834 IIXOXIRYNAQXOD-UHFFFAOYSA-N 277.368 3.692 30 20 CHED CC[C@H]1[C@H](C)CCN1C(=O)Nc1cc(C)cc(C#N)c1 455953582 LFGIYIUGVXYQHU-DOMZBBRYSA-N 271.364 3.519 30 20 CHED C=C(C)CN(C)C(=O)C(C)(C)Cc1ccc(Cl)cc1 457698987 VWIBVDULFCMSAN-UHFFFAOYSA-N 279.811 3.943 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](CC)c1ccccc1OCC 460078417 HLJWFTYRFJMSKA-AWEZNQCLSA-N 275.392 3.865 30 20 CHED C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC=C(C)C1 460386056 LUUCVEDUAZZMTR-UHFFFAOYSA-N 298.390 3.579 30 20 CHED CC(C)C1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 462173332 CFYQCRRHSATTBW-CQSZACIVSA-N 284.403 3.556 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1C 465239556 UNXGCLLQFRBRPM-VIFPVBQESA-N 272.270 3.710 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 466153150 HRPBYTTZDASVBZ-MRXNPFEDSA-N 288.435 3.842 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 466526722 DCDNEVLJYPKCCJ-CYBMUJFWSA-N 295.810 3.968 30 20 CHED Cc1ccccc1C1CC(NCCc2cccc(C#N)c2)C1 467435220 XJAJHAOLEFACSI-UHFFFAOYSA-N 290.410 3.945 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@@H]2CCCC)CC1 468367504 NBQLFRIUYPMMHL-WMZOPIPTSA-N 278.484 3.975 30 20 CHED CC(=O)c1c(F)cc(F)cc1OCC#Cc1ccccc1 478725822 STPKEGQKEVBBAM-UHFFFAOYSA-N 286.277 3.598 30 20 CHED COC(=O)c1ccccc1CCSc1ccccc1C#N 479119376 JGCFUAIBDVALGU-UHFFFAOYSA-N 297.379 3.680 30 20 CHED CC[C@@H](C)CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 480111001 RTZAGBVJKULZIA-MFKMUULPSA-N 298.308 3.822 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N(C)C(C)C 480434808 IKYGXQDOJILVSG-UHFFFAOYSA-N 260.381 3.525 30 20 CHED CC(C)[C@H](C)N(C)Cc1ccc(Cl)cc1C#N 480505522 NKRIJIAJSKZVGQ-NSHDSACASA-N 250.773 3.688 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@H](O)CCC(C)C 481746325 PYTSTAKPYTXSMQ-GOSISDBHSA-N 288.435 3.567 30 20 CHED N#Cc1cccnc1/C=C\c1cc(Cl)c2c(c1)OCCO2 486054694 QKHTTYAMKPEWLB-ARJAWSKDSA-N 298.729 3.548 30 20 CHED COc1ccc(C#N)cc1NCCc1ccc(C)cc1 486196594 OKRPLEPGWQWCOA-UHFFFAOYSA-N 266.344 3.530 30 20 CHED CCC[C@H](C(=O)N(C)c1ccccc1C#N)C(C)C 489224506 PXLUALVCJHVHEH-AWEZNQCLSA-N 258.365 3.593 30 20 CHED C=C[C@H]1CCCCN1Cc1nc(Cc2ccccc2C)no1 489514310 QOJSDTABMFOMAU-INIZCTEOSA-N 297.402 3.509 30 20 CHED C=CCn1cccc1C(=O)Nc1c(F)cccc1NC1CC1 490020548 SCAWNLPOWNTHGJ-UHFFFAOYSA-N 299.349 3.640 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CCc1ccccc1 491927312 CJQHTTYRTLCSOQ-NVXWUHKLSA-N 286.419 3.758 30 20 CHED CC#CCCNC(=O)N1CCC[C@](C)(c2ccccc2)CC1 502105348 NFGKGDMKDJJKTR-IBGZPJMESA-N 298.430 3.553 30 20 CHED C=CC1CCN(C(=O)Cc2ccc(SCC)cc2)CC1 503700264 WHMKVZPIYQKFQT-UHFFFAOYSA-N 289.444 3.766 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)c2cccc(C#N)c2C)C1 509948698 KUNNUFNPJMLPSB-HIFRSBDPSA-N 270.376 3.565 30 20 CHED Cc1ccsc1-c1noc(Cc2cccc(C#N)c2)n1 516517690 YEZGHNMWYFQPEM-UHFFFAOYSA-N 281.340 3.569 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2cccc(Cl)c2s1 517939007 GZJZHEAWKCIEIQ-JTQLQIEISA-N 292.791 3.977 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 523944756 MLWQJSBRSGZJCW-CZUORRHYSA-N 290.382 3.507 30 20 CHED CCC(C#N)(CC)C(=O)NCc1c(C)oc2ccccc12 529049233 KIKRDLVGGWXPBF-UHFFFAOYSA-N 284.359 3.687 30 20 CHED Cc1ccccc1Cc1noc(CSCC2(C#N)CC2)n1 538418340 FMAVSSDKNZZEAV-UHFFFAOYSA-N 299.399 3.506 30 20 CHED C[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(C#N)cc1 539509334 YHVXCGNFANAREL-JVPBZIDWSA-N 276.383 3.840 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2C2CCOCC2)cc1Cl 539594670 YGSKMVRJZWUZRM-MRXNPFEDSA-N 290.794 3.607 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H](C)C1 541598565 WHHWOWHGLZLEIU-VXGBXAGGSA-N 290.794 3.720 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CCC(C)(C)C1 541945405 BCZXMJDRGDXSGZ-ZDUSSCGKSA-N 264.413 3.791 30 20 CHED C=CCCCCNC(=O)NCC[C@@H](C)c1ccccc1 542702256 WMCQSDIBSZNYJQ-OAHLLOKOSA-N 274.408 3.836 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN2CCC(CC#N)CC2)o1 542851738 ZCZJRHVPCTVBJR-SWLSCSKDSA-N 258.365 3.529 30 20 CHED C=CCSCCNC(=O)c1ccc(C)c(C)c1Cl 544029590 FGAUDBILXDNCGY-UHFFFAOYSA-N 283.824 3.606 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)Cc1ccc(C#N)cc1 546158474 MCXMTZNDCSTNHR-OAHLLOKOSA-N 292.382 3.595 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)C(C)(C)C1 546846896 WUYMMRNJVYFJLS-KBPBESRZSA-N 266.429 3.809 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(OCC3CCCCC3)CC2)C1 549860625 PGEMPARJRZZDHV-SJORKVTESA-N 290.451 3.740 30 20 CHED CCOc1cc2c(cc1N[C@@H]1CC[C@H](C#N)C1)O[C@H](C)C2 555948370 OUDIGPREDWOGHT-MBNYWOFBSA-N 286.375 3.513 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)N1CCc2ccccc21 560938588 ACYPNDPXYSZMHT-ZDUSSCGKSA-N 275.417 3.664 30 20 CHED C[C@H](SCc1ccc(C#N)s1)C(=O)OC(C)(C)C 566468627 AUEXPLNVHOMJFS-VIFPVBQESA-N 283.418 3.583 30 20 CHED N#Cc1cccc(NC[C@H]2CCCC[C@H]2C(F)(F)F)n1 567099875 GRYMIEMGFWWBJX-ZYHUDNBSSA-N 283.297 3.734 30 20 CHED C=CCN(CCC#N)Cc1c(Cl)cccc1OCC 569017770 PJKYQZDNWUEPQY-UHFFFAOYSA-N 278.783 3.640 30 20 CHED CC[C@@H](CC(F)(F)F)N[C@H]1CCc2ccc(C#N)cc21 569974890 XYUFDAZCUMABCA-JSGCOSHPSA-N 282.309 3.866 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1C(=O)Nc1sccc1C#N 570023806 HSBMBQRKSUFPPS-CZUORRHYSA-N 282.368 3.536 30 20 CHED C=CCCCCNC1(c2noc(C)n2)CCCCCC1 570365126 GJIUUHVUHPXCJH-UHFFFAOYSA-N 277.412 3.873 30 20 CHED C=CC[C@H](C(=O)N(C)c1ccc(C)cn1)c1ccccc1 574555842 HUJSJHRCDWQGAQ-INIZCTEOSA-N 280.371 3.713 30 20 CHED CC1(Cc2noc(-c3ccc(CC#N)cc3)n2)CCCC1 578099122 DGCRXZPONNYEBZ-UHFFFAOYSA-N 281.359 3.925 30 20 CHED Cc1cccc2c(CCNC(=O)CCCCCC#N)c[nH]c12 588159264 IDVLJAWPEZHUBN-UHFFFAOYSA-N 297.402 3.609 30 20 CHED O=C(/C=C\c1cncc(Br)c1)c1ccccc1 588476871 NWUDCOVFODZCMZ-SREVYHEPSA-N 288.144 3.740 30 20 CHED CC(C)CCCCC(=O)N[C@@H](C)c1cccc(C#N)c1 590906392 WXTXMMMBYIWZTL-AWEZNQCLSA-N 272.392 3.952 30 20 CHED CCC1(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CCCC1 590940114 UJJMQWVLKQXYDS-INIZCTEOSA-N 297.402 3.568 30 20 CHED CCCCCc1ccc(NC(=O)[C@@H](C#N)CC)cc1 593388576 IUBIUFMYVUNJNP-CQSZACIVSA-N 258.365 3.908 30 20 CHED CC[C@H](C#N)C(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl 593415870 KKFXRSUCAVSNHI-NWDGAFQWSA-N 290.794 3.942 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCCC[C@H]1c1cccc(C)c1 593481877 LMEZVCLXJUOBRB-RDJZCZTQSA-N 284.403 3.989 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 593489185 GJUURNGSZRLABB-IDTSFGKNSA-N 290.794 3.703 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 593738028 KSXBOHTWWYTVOW-KYOSRNDESA-N 290.794 3.642 30 20 CHED C[C@H]1CN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC(C)(C)C1 594337029 DNRNJMHNTJALHA-HUUCEWRRSA-N 298.430 3.631 30 20 CHED C[C@@H](Cc1ccc2c(c1)CCCC2)NCCCCC#N 595015648 ZLEXOOSZLKMWAT-HNNXBMFYSA-N 270.420 3.780 30 20 CHED C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 595092347 URMZVELNANHXHB-KPZWWZAWSA-N 278.355 3.602 30 20 CHED CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)C1CCCC1 595093640 DQLUQEJYEQYLRD-YVEFUNNKSA-N 290.382 3.553 30 20 CHED CC(C)N(CCc1ccc(C#N)cc1)Cc1ccco1 595297397 SPQKFGKQIZDJLH-UHFFFAOYSA-N 268.360 3.604 30 20 CHED N#CC1(CC(=O)Nc2cc(Cl)ccn2)CCCCC1 597083102 KMNSEKPSCCHJMU-UHFFFAOYSA-N 277.755 3.538 30 20 CHED CCN(C(=O)[C@@H](C)c1ccc2ccccc2c1)[C@@H](C)C#N 598359277 NGGKQMCPUZXZON-KBPBESRZSA-N 280.371 3.704 30 20 CHED CC(C)c1cnc(SCCOc2ccccc2C#N)[nH]1 600588021 XHVQBDOCHWCWGO-UHFFFAOYSA-N 287.388 3.576 30 20 CHED COc1ccc(-c2ccc(C3CCNCC3)cc2)cc1C#N 600788363 JVYQZDILMQFGIQ-UHFFFAOYSA-N 292.382 3.701 30 20 CHED C[C@H](CCC#N)CNc1cccc(COCC2CC2)c1 602486694 GRZGEKIJFHXGMF-CQSZACIVSA-N 272.392 3.965 30 20 CHED C[C@H](CCC#N)CNC[C@@H]1CCCC[C@H]1C(F)(F)F 602564677 BRAGXQRSBDDCAY-FRRDWIJNSA-N 276.346 3.885 30 20 CHED COc1ccc(CN(C)C[C@@H](C)CCC#N)cc1Cl 602692273 XITHCHOXQHLCJP-LBPRGKRZSA-N 280.799 3.720 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@H](C(C)(C)C)CC1 604716723 LMBBFOVSUZNEBU-GJZGRUSLSA-N 281.440 3.642 30 20 CHED C=CCCCCCN(C)C(=O)Cc1cccc(C)c1 606813716 ARGJTCRAYMIBEJ-UHFFFAOYSA-N 259.393 3.742 30 20 CHED C=CCCCCCN(C)C(=O)CNc1ccccc1Cl 606881618 WAXGFKOVQRRGNZ-UHFFFAOYSA-N 294.826 3.957 30 20 CHED CC#CCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 607728011 RDSUVAXICAVRCK-NSHDSACASA-N 255.283 3.722 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@H](C)CC(C)(C)C 608822968 BNJHJLGIZNWEGK-STQMWFEESA-N 252.402 3.503 30 20 CHED C[C@H](C#N)CN(C)CCCc1cccc2ccccc12 609894378 AESGATURKNYQRI-OAHLLOKOSA-N 266.388 3.864 30 20 CHED C=CCN(Cc1cccc(C#N)c1)[C@H](C)CC(C)C 611290073 OFOWAUXSXMOVCY-OAHLLOKOSA-N 256.393 3.981 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(F)ccc(F)c2F)C1 617780120 ORHNEPZQJSPTCE-JTQLQIEISA-N 283.293 3.532 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(C)(c2ccccc2)C1 621497070 GGDAPXPZWBKRCM-HNNXBMFYSA-N 286.419 3.714 30 20 CHED CCC(=O)c1cccc(C#N)c1Oc1nc(C2CC2)ns1 631473913 ZPHCDYFVRPQTHC-UHFFFAOYSA-N 299.355 3.672 30 20 CHED C=CCOCCN[C@@H]1CCCc2ccc(SC)cc21 647299490 MHORTYUDNXSQES-MRXNPFEDSA-N 277.433 3.578 30 20 CHED C=CC[C@@H]1CCCC[C@H]1Nc1cnn(Cc2ccncc2)c1 657955181 FCHYBAHJIFVAKA-SJLPKXTDSA-N 296.418 3.873 30 20 CHED C=CCCNC(=O)N1CCC[C@@]1(C)Cc1ccccc1F 665940403 AWFABIOOTCTLAD-KRWDZBQOSA-N 290.382 3.508 30 20 CHED C=CCCNC(=O)Nc1ccc(Cl)c(OC(F)F)c1 666619269 QQMYHNHRSGRJKS-UHFFFAOYSA-N 290.697 3.639 30 20 CHED C=CCCNC(=O)Nc1ccc(Cl)cc1SC 667373989 GATIZRVJXVUHIK-UHFFFAOYSA-N 270.785 3.760 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(O)c(C)cc1C 680825942 GGANSZMWMFZKCN-UHFFFAOYSA-N 259.349 3.716 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](OC)c1ccccc1Cl 682382391 GVYWIORWMBUJKR-HOCLYGCPSA-N 295.810 3.746 30 20 CHED CCCCCCCNc1c(C(=O)O)cccc1[N+](=O)[O-] 703755309 AZJAABSHGHNISP-UHFFFAOYSA-N 280.324 3.675 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCCC[C@@H]2CC)c1 726458247 WWEGYXKOVSXKGE-GOEBONIOSA-N 286.444 3.923 30 20 CHED Cc1ccc(F)c(C(=O)OCc2cc(C#N)ccc2F)c1 727215254 PMLAMCVKHBUXSW-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCCC[C@@H]1C 727322394 IPENVOBVDOVDJZ-HMRVGZCKSA-N 296.414 3.999 30 20 CHED Cc1cc(C=NNc2ccc(F)cn2)c(C)n1CC(C)C 731319547 WCVZVKUTZFBQBA-UHFFFAOYSA-N 288.370 3.741 30 20 CHED C#CCCOc1ccc(CNC2CCCCCC2)cc1 733323148 LFICKMFZTYOXOE-UHFFFAOYSA-N 271.404 3.901 30 20 CHED C#CCOc1ccccc1CNC/C(C)=C/c1ccccc1 734159046 DVKYZISWMDUJFS-SAPNQHFASA-N 291.394 3.892 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1nc2ccccc2s1 735102310 FTVNEODGUBDKAD-MNOVXSKESA-N 289.404 3.621 30 20 CHED C#CCOc1ccc(CN[C@H]2CSc3ccccc32)cc1 735508781 NOFOFQDNTPSZOX-KRWDZBQOSA-N 295.407 3.635 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 743537939 DVCPRWLDAHWMHY-DHZHZOJOSA-N 297.310 3.890 30 20 CHED CCC(CC)CN(CCC#N)Cc1nnc(C(C)(C)C)o1 744405560 RIUFHBVUTHDDEA-UHFFFAOYSA-N 292.427 3.519 30 20 CHED CC#CCOC(=O)c1sc(-c2ccccc2)cc1OC 744811263 FFQTZVBAYQYLSW-UHFFFAOYSA-N 286.352 3.604 30 20 CHED C#CC[C@@H](OC(=O)/C=C/c1nc2ccccc2s1)C(C)C 747195489 FNRXWDXEDQSZAG-PLSXKVAHSA-N 299.395 3.901 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)OCC(=O)c1cccc(C#N)c1 748257713 JKCSCOFSCQRBOA-DZGCQCFKSA-N 299.370 3.501 30 20 CHED N#Cc1ccc(C=NNc2ccc(OC(F)F)cc2)s1 748788540 RXDCEBQUJIBFKC-UHFFFAOYSA-N 293.298 3.667 30 20 CHED N#CCOc1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1 748831825 CBPVEXAJONGJGF-GOSISDBHSA-N 296.345 3.675 30 20 CHED Cc1cc(C(=O)OCc2ccccc2C#N)c(F)cc1F 748929640 GUKJARMLBRNQGU-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCN(CC)c1ccc(NC(=O)c2ccc(C#N)s2)cc1 749311670 YLRFATIVJHTZAU-UHFFFAOYSA-N 299.399 3.718 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1cccc(F)c1 750401377 ZQSKUCSAKYLCDM-SECBINFHSA-N 275.304 3.677 30 20 CHED C(=NNc1nc2ccccc2[nH]1)[C@H]1CCOc2ccccc21 752159420 FKEJFTDETXQXCY-GFCCVEGCSA-N 292.342 3.527 30 20 CHED Brc1cnn(N=C2CCCCCCC2)c1 752745371 CRFLDBCBPCNVCG-UHFFFAOYSA-N 270.174 3.594 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C1\CC[C@H](C)C1 753581907 GLAVLECCWVGYQA-XOAFGZPJSA-N 299.414 3.956 30 20 CHED C=C(C)[C@H](C)OC(=O)CCc1c[nH]c2cc(C)ccc12 756000951 NLPCIYHRPOYVNA-ZDUSSCGKSA-N 271.360 3.917 30 20 CHED C#CC[C@H](Nc1nc(CC)cs1)c1ccccc1 756957570 VNDDZVBSYKMIMV-AWEZNQCLSA-N 256.374 3.882 30 20 CHED C=C[C@@H](C)Nc1nc(C(F)(F)F)nc2ccccc12 756979275 XMJNOXBTURPGCA-MRVPVSSYSA-N 267.254 3.635 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(CC)s1)c1ccccc1 757577132 FQGHZYRUMQQUFE-OAHLLOKOSA-N 283.396 3.805 30 20 CHED Clc1ccccc1[C@@H]1CCCC1=NNC1CCOCC1 758124495 LZWNQKACDRFTQF-AWEZNQCLSA-N 292.810 3.732 30 20 CHED C=CC[C@H](NC(=O)C[C@H]1CC[C@H](C)C1)c1ccncc1 759219449 YFGCQUIJXYDKKW-DZKIICNBSA-N 272.392 3.641 30 20 CHED CC(=NNc1nccc2sccc12)C(F)(F)F 761782891 SSMBENMOJALWIO-UHFFFAOYSA-N 259.256 3.646 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(C#N)s1 762442088 GKXXRXMFNDMLOQ-HYXAFXHYSA-N 275.354 3.586 30 20 CHED CCCCCCCON=C(C)Cn1nc(C)cc1C 764547519 DJSADIMWBKWDOE-UHFFFAOYSA-N 265.401 3.863 30 20 CHED COc1ccc(C)cc1C=NNCc1ccc(Cl)cc1 764718692 QSJCHHDVAIUGMT-UHFFFAOYSA-N 288.778 3.781 30 20 CHED C#CCCCSc1ncc(-c2ccccc2)n1C 766288182 OWSXEUCMHFGAII-UHFFFAOYSA-N 256.374 3.593 30 20 CHED CCCCCCCC(=O)Oc1ccc(C#N)c(OC)c1 767141937 PIOFKYKYGMEQNA-UHFFFAOYSA-N 275.348 3.833 30 20 CHED C=CC[C@H]1N(C(=O)c2ncc(C)cc2C)CCCC1(C)C 767230778 ZIJGOOSLJWPESM-OAHLLOKOSA-N 286.419 3.905 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 767244451 YBKSGBDXIFIWLN-MNOVXSKESA-N 298.213 3.652 30 20 CHED C/C=C(/C=C\C(=O)OCc1cc(C#N)ccc1F)CC 767658590 HXQSWQSWDRSRSO-GUNAYIFLSA-N 273.307 3.653 30 20 CHED C=CCN(Cc1ccc(OCCC)c(OC)c1)C(C)C 768546230 ACWSCLFLJHQUJH-UHFFFAOYSA-N 277.408 3.880 30 20 CHED Cc1cc(O)ccc1C(=O)OCCCCC(C)(C)C#N 768817241 FKCDZEXGMATCGS-UHFFFAOYSA-N 275.348 3.578 30 20 CHED COC(=O)c1cccc(NN=C2CC[C@H]2c2ccccc2)c1 769802968 TYMIBVNBNWVFOY-INIZCTEOSA-N 294.354 3.819 30 20 CHED Cc1ncccc1C=NNc1c(F)cccc1Cl 769826705 IQHAKHHULLNHPP-UHFFFAOYSA-N 263.703 3.629 30 20 CHED Cc1cc(C=NNc2c(C)cccc2F)cnc1Cl 769840472 LBYMRBGSNNZBKY-UHFFFAOYSA-N 277.730 3.937 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1 770279290 QFCZEDGILCDKEN-AWEZNQCLSA-N 294.354 3.964 30 20 CHED Cc1ccc2ncc(/C=C3\Cc4c(C)cccc4C3=O)n2c1 771860080 PPAPCKFBFWEBLX-RIYZIHGNSA-N 288.350 3.774 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1sccc1O 773151155 UWHYNBKSRUDPEB-OWOJBTEDSA-N 266.268 3.628 30 20 CHED FC(F)C(F)(F)CSCCCOCC(F)(F)F 773427051 VKEKISVBNVXKQY-UHFFFAOYSA-N 288.228 3.589 30 20 CHED Cc1nc(-c2cccs2)ccc1C(=O)OCC1(C#N)CC1 775844296 RMGXGSWUUOQJKS-UHFFFAOYSA-N 298.367 3.579 30 20 CHED COC(=O)c1ccccc1NN=C[C@@H]1C[C@H]1c1ccccc1 776187620 VRAASYZXOJFFMV-HOCLYGCPSA-N 294.354 3.675 30 20 CHED CC(C)(C#N)CCOC(=O)COc1ccc2ccccc2c1 776357900 VJHBRYWPPHBVBZ-UHFFFAOYSA-N 297.354 3.702 30 20 CHED CCc1cccnc1C(C)=NNc1cc(F)cc(OC)c1 779778544 YYOXRXIYFTYXGK-UHFFFAOYSA-N 287.338 3.628 30 20 CHED C=CCC(=NNc1ncncc1Cl)c1ccc(F)cc1 780281734 RUWQRZYHOFDZIU-UHFFFAOYSA-N 290.729 3.661 30 20 CHED C#CCCCCN[C@H]1CC[C@@H](Cc2ccccc2)C1 780535752 HBKYGGZRILGNRG-ROUUACIJSA-N 255.405 3.791 30 20 CHED Clc1ccc2cccnc2c1C=NO[C@@H]1CCCCO1 781127842 MTOSGQJPEHQJTF-CQSZACIVSA-N 290.750 3.765 30 20 CHED C[C@H]1CCCC(=NNc2cc(C#N)cc(Cl)n2)[C@H]1C 781128791 VDYXDKWOBHMKBJ-UWVGGRQHSA-N 276.771 3.831 30 20 CHED N#Cc1cccc(NN=Cc2cc(Cl)cs2)c1 782185256 DQWSBJIWFFYHCJ-UHFFFAOYSA-N 261.737 3.719 30 20 CHED CC(=NNc1cccc2ccccc12)[C@@H]1CCCO1 783835193 HDACBISXKYIRTE-INIZCTEOSA-N 254.333 3.807 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CC=CCC2)c(Cl)c1 784192451 DTFDOQNLTHPPLC-GFCCVEGCSA-N 275.735 3.611 30 20 CHED C#Cc1cccc(NCc2cc(Cl)cc(F)c2O)c1 784658926 SBVYLSQONYOGCW-UHFFFAOYSA-N 275.710 3.778 30 20 CHED C[C@]1(C#N)CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 784742388 ANKHQJPUXVLBKV-KXQLTZBTSA-N 294.807 3.567 30 20 CHED Cc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c(O)c1 787024611 BZESUEQTWSDESL-SCLBCKFNSA-N 292.382 3.910 30 20 CHED C=CCN(CC=C)Cc1ccc(Cl)nc1C(F)(F)F 787168588 JYWCDCSCTPWWCR-UHFFFAOYSA-N 290.716 3.928 30 20 CHED CCCCCCCC(=O)Nc1nccc2ccncc12 788106847 DUTTVACOQYGHEX-UHFFFAOYSA-N 271.364 3.929 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(C#N)c1 788127546 SJFAILKTMFOZNE-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C#CCOC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 788224160 GFIBYMFASWGJHT-AWEZNQCLSA-N 280.323 3.617 30 20 CHED C=CCSCCN[C@H](C)c1c(C)cc(C)cc1O 788732363 FEWKTDLQBVUFLR-CYBMUJFWSA-N 265.422 3.579 30 20 CHED CCc1cccc2c(/C=C/C(=O)c3cc(C)nn3C)c[nH]c12 789159917 RGYGHHJPIYMOBG-CMDGGOBGSA-N 293.370 3.668 30 20 CHED CCCCCCNC(=O)c1cc(-c2cccc(C#N)c2)no1 789889003 XLQXUHIQXPQOHV-UHFFFAOYSA-N 297.358 3.523 30 20 CHED COC1(C=NNCCCc2ccccc2)CCCCC1 790161251 DDSYBVONJLOUTJ-UHFFFAOYSA-N 274.408 3.544 30 20 CHED CC(=NNc1ncccc1C)c1cc(C)cc(C)c1 790193099 SPUVWUHXLZQSJI-UHFFFAOYSA-N 253.349 3.843 30 20 CHED CC(C)CN(CCC#N)Cc1c(O)ccc(Cl)c1F 792157317 TXALFNHNTGMICN-UHFFFAOYSA-N 284.762 3.556 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1 792927335 VUWNWOJKNZHNDO-OUKQBFOZSA-N 293.366 3.593 30 20 CHED COc1cc(C=NN[C@H](C)C(C)(C)C)cc(Cl)c1OC 793110926 CTTOTGLWBLCYHI-SNVBAGLBSA-N 298.814 3.715 30 20 CHED Cc1ccc(F)c(C=NNc2cccc(Cl)n2)c1 793174676 MNUAVOQBJDNKRQ-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)C[C@H]1CCOC1 793531793 JKUBDWSZLVONOD-ARFHVFGLSA-N 253.430 3.916 30 20 CHED O=C1/C(=C/c2c(F)ccc(O)c2F)Cc2cc(F)ccc21 794942084 HLHWJQULMOWPOS-VQHVLOKHSA-N 290.240 3.632 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C/c1ccccc1F)C2 794962211 XPEWHQFZOPFRNW-NTUHNPAUSA-N 298.313 3.665 30 20 CHED C=CCNN=C(CC)CCc1ccc(Br)cc1 795004254 ZVIGSESVECRVOL-UHFFFAOYSA-N 295.224 3.923 30 20 CHED CCC(CC)OC(=O)c1ccc(C(C)(C)C#N)cc1 796040825 TYASJWTVNBBLMB-UHFFFAOYSA-N 259.349 3.833 30 20 CHED C#CCN(Cc1ccccc1)Cc1csc(C(C)C)n1 796638049 FCFOMXREBDOXOZ-UHFFFAOYSA-N 284.428 3.902 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H]1CCc2ccc(F)cc21 796950438 YBWUNOKUKLGFOJ-CQSZACIVSA-N 262.324 3.959 30 20 CHED CC[C@@H](C)CCC(=O)OCc1ccc(CC#N)cc1 797227565 IUXYWMHVDNFMFD-CYBMUJFWSA-N 259.349 3.622 30 20 CHED C#CC[C@@H](NCc1cc(C)nc(Cl)c1)c1ccccc1 797600679 CSDPJNHFWLKLDZ-MRXNPFEDSA-N 284.790 3.898 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)CCCCCC 798048978 APOGOWAGCZVTBN-PMPSAXMXSA-N 296.455 3.626 30 20 CHED COc1ccccc1CON=Cc1cnc(C(C)C)s1 799120171 VVDCHDNFXQPASL-UHFFFAOYSA-N 290.388 3.826 30 20 CHED C=CC[C@H](NCc1cccc(OC)c1F)c1ccncc1 800239393 QCPPETLYLOQCJO-HNNXBMFYSA-N 286.350 3.636 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\CC2CCC(F)(F)CC2)c1 800721134 KETQYMVBTDZJAD-MFOYZWKCSA-N 298.289 3.545 30 20 CHED CSC1(C=NNc2ccc(F)cc2F)CCC1 800803627 JOBQGYJSFWBRQR-UHFFFAOYSA-N 256.321 3.648 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 803786702 MDEBQCWKWJXUCG-HIFRSBDPSA-N 277.751 3.810 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]1c1nc(C)no1 804905745 CZFIUNLYWIEVJF-CQSZACIVSA-N 293.411 3.792 30 20 CHED CCCCO[C@H](C)C(=O)Oc1cc(C)c(C#N)c(C)c1C 809035767 LTIFQQVFBHGZHU-CQSZACIVSA-N 289.375 3.594 30 20 CHED C#Cc1ccc(CNC[C@H](OC)c2ccc(Cl)cc2)cc1 809624955 VLJTWBZPSPXQSD-SFHVURJKSA-N 299.801 3.799 30 20 CHED N#CCCCCOC(=O)CCCc1ccccc1Cl 810584836 WHNVUSMQBISUBT-UHFFFAOYSA-N 279.767 3.900 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 812017849 JZFKTAPEUVBBBZ-NXEZZACHSA-N 299.201 3.718 30 20 CHED CC(=NNc1ccccc1Cl)c1csc(C)n1 812376069 MNWIQGBBJPZOMB-UHFFFAOYSA-N 265.769 3.941 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(C)s1 814109420 RIRMPRQQYLSSHO-LLVKDONJSA-N 251.395 3.836 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC(c3ccccc3)C2)cc1 814682020 FQLLOCDNBFZPPH-UHFFFAOYSA-N 281.315 3.940 30 20 CHED COCC(=NNc1ccccc1)c1cccc(Cl)c1 814684045 BHJYLOFMLAJEFN-UHFFFAOYSA-N 274.751 3.803 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccc(O)c1Cl 814787013 GBYDOZLSQNTCQD-UHFFFAOYSA-N 299.761 3.840 30 20 CHED OCCC[C@@H]1CCCCC1=NOCc1ccccc1 814792598 VHSMAQPYEBEUFP-HNNXBMFYSA-N 261.365 3.522 30 20 CHED C[C@H]1SCCC1=NNc1ccc(C#N)c(C(F)(F)F)c1 814828697 OPMNVLITXDVPSR-MRVPVSSYSA-N 299.321 3.870 30 20 CHED Fc1ccc(NN=C2CC[C@H](c3ccccc3)C2)nc1 814842738 QPHLLCFLOWNVDL-ZDUSSCGKSA-N 269.323 3.956 30 20 CHED Clc1cncnc1NN=C1CCCC12CCCC2 814910233 XITOOPIQPUKBDZ-UHFFFAOYSA-N 264.760 3.642 30 20 CHED CC(C)OCCON=C1CC[C@@H](Cc2ccccc2)C1 814936768 IXGWOMMKVZJFAK-INIZCTEOSA-N 275.392 3.827 30 20 CHED Cc1ccccc1C=NNc1nnc(-c2ccccc2)s1 814947332 LVJCUXOPINZOBE-UHFFFAOYSA-N 294.383 3.960 30 20 CHED C=CCC(F)(F)C(=O)NCC1(CC(C)C)CCC1 815782792 YXLGIAMFVULGCE-UHFFFAOYSA-N 259.340 3.530 30 20 CHED C#Cc1cncc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1 822349659 DIXQIBGWHUFPPQ-GOSISDBHSA-N 292.382 3.532 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccccc1O[C@@H](C)C#N 823700851 SRRVDOYBTGKUHL-LBPRGKRZSA-N 272.348 3.518 30 20 CHED CCCCCCCC(=O)NCC1(N(C)C)CCCCC1 829982090 YSAWDEFOFWVAHO-UHFFFAOYSA-N 282.472 3.728 30 20 CHED CCn1nnc(C)c1/C=C\C(=O)c1cccc(CC(C)C)c1 834441705 RYYMGPPAVWDIDK-KTKRTIGZSA-N 297.402 3.701 30 20 CHED FC(F)(F)c1ccc(NN=C2CCOC3(CCC3)C2)nc1 834920302 IRUQYLQVMFMPNW-UHFFFAOYSA-N 299.296 3.601 30 20 CHED CC(CC(C)(C)C)=NNc1nc2ccccc2n1C 834940150 FQDSRBAYCBUCGA-UHFFFAOYSA-N 258.369 3.797 30 20 CHED COC(=O)c1ccc(NN=C2CCC[C@@H]2CCF)c(F)c1 835023393 GYAXDJACLDKNLL-SNVBAGLBSA-N 296.317 3.540 30 20 CHED CCc1c(C(=O)O[C@@H](C#N)C(C)C)oc2ccccc12 835124988 UROQXRJBQXUAHO-AWEZNQCLSA-N 271.316 3.700 30 20 CHED C=C(C)[C@@H](CC(=O)OC[C@H]1CCCCC1(F)F)OCC 835638902 RFPSNOAWJXOPKC-CHWSQXEVSA-N 290.350 3.726 30 20 CHED C=CC(C)(C)COC(=O)c1[nH]c(-c2ccccc2)nc1C 835725919 KKJIOKUFXLFHPD-UHFFFAOYSA-N 284.359 3.754 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)/C=C\c1ccccc1C#N 837228535 JRWQSZBIJFHUIC-XPSMFNQNSA-N 270.376 3.512 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H](C)Sc1ccc(OC)cc1 839036856 YAKDLFJIUZVIFR-OLZOCXBDSA-N 292.400 3.521 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2ccc(Cl)c(F)c2)C1 839059429 POSPMXNCUDQRMU-RYUDHWBXSA-N 295.741 3.647 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(N2CCCC2)cc1 839295706 ISJQXTCICBLTQE-UHFFFAOYSA-N 273.376 3.795 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 839764654 FCIWNPJYVOVPFJ-DLBZAZTESA-N 287.403 3.748 30 20 CHED COc1ccc(O)c(C=Nc2ccc([C@@H]3CCOC3)cc2)c1 840704626 BYYLPUDNJCVJFW-CQSZACIVSA-N 297.354 3.655 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCOCC1CCCC1 840710993 TZHXFJBIGKYLMY-XDHOZWIPSA-N 298.386 3.566 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)nn1C 840716297 VVORRAKPTQPDAV-MDZDMXLPSA-N 280.371 3.503 30 20 CHED CCCON=C(C)c1sc2nc(C)nc(C)c2c1C 842566169 VSKHDYWBSYOXOQ-UHFFFAOYSA-N 277.393 3.767 30 20 CHED C#CC1CCN(C(=O)[C@H](CCC=C)c2ccccc2)CC1 843705390 FDRVIADXEAIBNU-GOSISDBHSA-N 281.399 3.608 30 20 CHED C=C(C)CONC(=O)Nc1ccc(C2CCC2)cc1 844645480 DXTJTCUEHBRCPZ-UHFFFAOYSA-N 260.337 3.583 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@H](OC(C)C)C1 845196200 NXGCCNYWIXISGQ-MRXNPFEDSA-N 296.455 3.722 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCc1cccs1 847628255 ZUZKJFPYDFIXOL-LBPRGKRZSA-N 285.368 3.542 30 20 CHED N#CC1(CC(=O)OCc2ccc(Cl)cn2)CCCCC1 849907162 VSBGMLDXVCUNQK-UHFFFAOYSA-N 292.766 3.642 30 20 CHED Cc1ccc(OCC(=O)O[C@H](C)CC(C)(C)C#N)cc1C 851214653 URLZGGQJPPWWCL-CQSZACIVSA-N 289.375 3.554 30 20 CHED Fc1cc(C(F)(F)F)c(F)cc1CON=CC1CC1 853735960 GIRDOCSHZDKROM-UHFFFAOYSA-N 279.208 3.896 30 20 CHED CCCCCCCNC(=O)c1cc(NC(C)=O)ccc1C 862357453 VLVOSMJLPGNDFY-UHFFFAOYSA-N 290.407 3.654 30 20 CHED C#CCCc1noc([C@H](C)CCc2ccc(F)cc2)n1 866907230 AQJOWXMTZQJXPV-GFCCVEGCSA-N 272.323 3.511 30 20 CHED Cc1cc(C#N)nc(NCc2ccccc2COC(C)C)c1 891715286 CDLIMIUTEKBKMX-UHFFFAOYSA-N 295.386 3.799 30 20 CHED C=C1CC(c2noc([C@H](C)Cc3ccc(C#N)cc3)n2)C1 896873501 BIXAKUGRNOPJQX-GFCCVEGCSA-N 279.343 3.721 30 20 CHED C=C1CC(c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)C1 896876833 APNRESPERZUSEE-UHFFFAOYSA-N 279.343 3.971 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(C)c(C)c2)c(C)n1 899335895 KFKAQWPLDDVUJF-HJWRWDBZSA-N 268.360 3.724 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1ccc(OC)c(F)c1 899344551 SYBUJCFJRLZRLM-VOTSOKGWSA-N 289.306 3.589 30 20 CHED Cn1c(SCCCCC2(C#N)CCC2)nnc1C1CC1 901396064 WCKYXYMMAPZYDU-UHFFFAOYSA-N 290.436 3.649 30 20 CHED Cc1cc(C(=O)/C=C/c2cncn2C(C)C)oc1C 901504776 OGVWDFOHKGSJSS-AATRIKPKSA-N 258.321 3.570 30 20 CHED O=C(/C=C/c1cccc(C2CC2)c1)c1cc2n(n1)CCC2 901561163 QQEMEQUGBZELNJ-RMKNXTFCSA-N 278.355 3.603 30 20 CHED COC[C@H](S[C@@H]1CC[C@H](C#N)C1)c1ccccc1 901661584 GUCSZBOWECUVDB-CFVMTHIKSA-N 261.390 3.800 30 20 CHED C=CC(C)(C)Cc1nc(CCc2ccccc2)no1 904579387 FAMFSJRQIBKEBN-UHFFFAOYSA-N 256.349 3.610 30 20 CHED Cc1oc(-c2cccs2)nc1C=NOC1CCC1 905469944 KUAXBNMTWQPYNR-UHFFFAOYSA-N 262.334 3.615 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)s1 915105837 GVZBKTCCQFEXCR-HJWRWDBZSA-N 286.352 3.580 30 20 CHED Cc1ccc(C=NNC(=S)Nc2ccccc2F)s1 915921265 PWYOFPWMEAILMC-UHFFFAOYSA-N 293.392 3.516 30 20 CHED Oc1cccc(/C=N/Cc2cc3c(s2)CCCC3)c1O 915980797 CZYVRLFHPFTPJM-RQZCQDPDSA-N 287.384 3.657 30 20 CHED Cc1cc(O)nc(NN=C(CCc2ccccc2)C(C)C)n1 917529356 NFNQDJDZNUXDBZ-UHFFFAOYSA-N 298.390 3.547 30 20 CHED Fc1ccc(C=NNc2ncccn2)cc1-c1cccs1 917548232 MJXGFFYGOBXQMV-UHFFFAOYSA-N 298.346 3.790 30 20 CHED N#CCSCCCOC(=O)C1(C2CCCCC2)CC1 923343237 WCYJMFWYIOMIPR-UHFFFAOYSA-N 281.421 3.537 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1C[C@@H]1Cc1ccccc1 925468075 YNTREXPCZINQSV-VNQPRFMTSA-N 256.393 3.536 30 20 CHED C#CCN(C(=O)c1sc2ccc(C#N)cc2c1C)C(C)C 928625580 VFBNOSWAVVWPNV-UHFFFAOYSA-N 296.395 3.565 30 20 CHED N#CC1(CCCCN2CCCC3(CCOCC3)C2)CCC1 929709498 CXHPAMGECJKIOU-UHFFFAOYSA-N 290.451 3.743 30 20 CHED N#CC1(CCCCN2CCC[C@H](CF)C2)CCC1 931683639 XLAPUEPPCUGUOF-CQSZACIVSA-N 252.377 3.532 30 20 CHED Cc1c(Cl)c(CN2CCC[C@@H](C#N)C2)nc2ccccc12 932162411 PUGAYJCIASLPJL-ZDUSSCGKSA-N 299.805 3.932 30 20 CHED CC1(CCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 933857492 LNOMFRJLZPERQJ-IRXDYDNUSA-N 296.414 3.865 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H](C)c1nc2ccccc2o1 934000059 JLLKVGXYBRQPKY-CHWSQXEVSA-N 286.375 3.650 30 20 CHED Clc1ccc(C#CCN[C@@H](c2ccncc2)C2CC2)cc1 934692420 OHIAYYSQZLBHFM-GOSISDBHSA-N 296.801 3.827 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC3CCC2CC3)n1 1116635548 ZJTRIZHUSVWJGY-UHFFFAOYSA-N 269.392 3.630 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)c1ccc(C#N)cc1F 1128704817 ZNQTWCPODATGHM-LBPRGKRZSA-N 288.366 3.786 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccnc(C#N)c2)c1C 1185467980 YVTMBBJALPDDNJ-GOSISDBHSA-N 277.371 3.912 30 20 CHED CCCCc1cc(N[C@H]2CCc3cc(C#N)ccc32)ncn1 1186336138 WAKJYBQAQRRIQG-KRWDZBQOSA-N 292.386 3.790 30 20 CHED Cc1cc(CNCc2ccc3occc3c2)ccc1C#N 1203067710 KDUXFRUYMFQMJR-UHFFFAOYSA-N 276.339 3.903 30 20 CHED CC[C@H](Nc1cccc(CC#N)n1)c1ccccc1 1261365590 SEWLULSCLUBBBN-HNNXBMFYSA-N 251.333 3.711 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cccc(C(C)(C)C)c1 1262813048 NQANDXRNPYLDCV-HNNXBMFYSA-N 272.392 3.748 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1270342300 NBOOKHQCMXFMHL-SJORKVTESA-N 298.430 3.969 30 20 CHED C[C@@H]1Cc2ccccc2N(C(=O)CC#Cc2ccccc2)C1 1319314454 PIDCGCIJCGFXLW-MRXNPFEDSA-N 289.378 3.654 30 20 CHED CC(C)N(CCc1ccccc1)CCC(C)(C)C#N 1319965062 AARASYKURHDZRW-UHFFFAOYSA-N 258.409 3.879 30 20 CHED C=CC[C@H]1N(C(=O)Nc2nocc2C)CCCC1(C)C 1320837796 LCMLRPBYYRNBMG-GFCCVEGCSA-N 277.368 3.582 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cccc2ccccc12 1325619351 CVXAZDODSDZOEO-HIFRSBDPSA-N 255.361 3.691 30 20 CHED N#CCCCC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1327647000 IDECNQWLTLCFTJ-FUHWJXTLSA-N 282.387 3.608 30 20 CHED N#CC1(c2nnc(-c3ccc(Cl)nc3)o2)CCCCC1 1327905683 LLYGYBFROVCWIP-UHFFFAOYSA-N 288.738 3.510 30 20 CHED C=CCC1(c2nnc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 1327915609 CBPLGZDGODUTDZ-UHFFFAOYSA-N 285.303 3.643 30 20 CHED CC[C@H](COC(=O)CC#Cc1ccccc1)CC(F)F 1329400435 MGJBBWLNBCGVIT-ZDUSSCGKSA-N 280.314 3.653 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(CCC(N)=O)cc1 1330316101 OOZFBFYBNWLIQE-WBVHZDCISA-N 286.419 3.651 30 20 CHED C=CCC[C@H](O)CN1C[C@H]2CCCC[C@@]21c1ccccc1 1333638361 HRMDEQKYARNBOE-CEXWTWQISA-N 285.431 3.715 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1Cc1ccccc1C 1335789395 BJKFCNBIHUPYHR-QGZVFWFLSA-N 271.404 3.885 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OCC)cc1F 1335952247 RDWGDVBJPYKAIB-UHFFFAOYSA-N 251.301 3.519 30 20 CHED Cc1ccc2c(C)cc(NCC3(C#N)CCOCC3)nc2c1 1337316017 LTONQAMEWXKBKI-UHFFFAOYSA-N 295.386 3.584 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)C(C)C)c1cccs1 1345102919 HSZDSQUZESXODM-ZYHUDNBSSA-N 251.351 3.538 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)CCCF)c1cccs1 1345145951 BFXFRIVOOBVHBO-GXFFZTMASA-N 269.341 3.632 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1)C1CC1 1345672844 BVCFBLNOTZWVHL-DJYGCBNOSA-N 299.761 3.749 30 20 CHED C=C(CC(C)C)C(=O)NCc1ccc(Cl)s1 1346266830 LXGARZUHHXNDMU-UHFFFAOYSA-N 257.786 3.620 30 20 CHED CCc1ccc(CN(C)C(=O)c2ccc(C#N)cc2F)cc1 1351835265 JNZCEXSRHBKXGE-UHFFFAOYSA-N 296.345 3.532 30 20 CHED N#CCc1ccc(NC(=O)c2ccc3cnccc3c2)cc1 1523229105 MVMKEKYOUNMLAW-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1F 1528048125 UORISQQAWDBESJ-LBPRGKRZSA-N 282.318 3.515 30 20 CHED N#CC1(c2ccccc2)CC(Nc2c[nH]c3nccc-3c2)C1 1561007365 SQXWPRCYTXADPU-UHFFFAOYSA-N 288.354 3.550 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1F 1583534703 VSBXRIPQROAHMU-OAHLLOKOSA-N 296.345 3.905 30 20 CHED C#CCCCCCCN[C@H](c1ccccc1)[C@@H](C)C(=O)O 1588441378 GBEQGEMOXVAKKT-WBVHZDCISA-N 287.403 3.622 30 20 CHED CCCCC1CCC(CNc2cc(C#N)ncn2)CC1 1642137174 KPAIIODRWHTDEQ-UHFFFAOYSA-N 272.396 3.757 30 20 CHED Cc1cc(N[C@H]2C[C@H]2C2CCCCC2)ncc1C#N 1650804251 XHYZEPWJOLFGNG-GJZGRUSLSA-N 255.365 3.642 30 20 CHED CC[C@@H]1CCC[C@@H]1CNc1c(C#N)nnc2ccccc12 1651861444 ZEBSZMMVBOFLGC-CHWSQXEVSA-N 280.375 3.740 30 20 CHED CC[C@@H]1Cc2ccccc2CN1CC1(CC#N)CC1 1654063481 BACXQPLGSJEMHC-MRXNPFEDSA-N 254.377 3.517 30 20 CHED Cc1nc(N[C@@H]2CCC(C)(C)C[C@@H]2C)ccc1C#N 1655220019 UPCFHIBUTUGTNL-SMDDNHRTSA-N 257.381 3.888 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)Nc1cc(C#N)ccc1F 1662504794 FSLNKJMUEDPSGN-UHFFFAOYSA-N 295.317 3.600 30 20 CHED C=C(Cn1c(C)nnc1N(CC)C(C)C)c1ccccc1 1749242700 QBWGPYZNDIAINO-UHFFFAOYSA-N 284.407 3.535 30 20 CHED C=CCCCCN=c1c(C(=O)O)c[nH]c2c(C)cc(C)cc12 1776174024 HGRGVTDSEOLEJC-UHFFFAOYSA-N 298.386 3.740 30 20 CHED c1nc(NN=C2CCCC2)c2c3c(sc2n1)CCC3 8284775 WEGZVKBAHOKWFP-UHFFFAOYSA-N 272.377 3.522 30 20 CHED C=CCSCC(=O)c1cc(C)n(-c2nccs2)c1C 114757541 RGHOPRANBMPFMO-UHFFFAOYSA-N 292.429 3.653 30 20 CHED N#Cc1cccc(C[S@@](=O)c2cccc(Cl)c2)c1 108092072 FYNNXXNRAPHZRY-SFHVURJKSA-N 275.760 3.519 30 20 CHED CCCN(CCCCCOC)Cc1ccc(C#N)cc1 103226395 STFRHJRPXXKJRI-UHFFFAOYSA-N 274.408 3.587 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)n1cnc2ccccc21 172466008 NEYOBCAEGDETTQ-OAHLLOKOSA-N 299.418 3.802 30 20 CHED CC(C)(CCC#N)CNCc1coc(-c2cccs2)n1 174307618 DIFSBNHTNINNMU-UHFFFAOYSA-N 289.404 3.823 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCc1ccc(F)cc1 106421636 NZOMXAFNPBZDCI-UHFFFAOYSA-N 290.382 3.737 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1C 104817338 JFVOPDBGMXAIAN-PBHICJAKSA-N 299.418 3.668 30 20 CHED CC[C@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OC(C)C 54538620 DXQLPYYPUBKLDY-LBPRGKRZSA-N 289.379 3.608 30 20 CHED C[C@@H](C(=O)OCc1ccc(C#N)cc1)c1ccccc1F 109024261 YZKFYIHKKKAGAR-GFCCVEGCSA-N 283.302 3.544 30 20 CHED C=CCN(C(=O)c1cc2c(s1)CCOC2)c1ccccc1 102983967 APRYOXJJMNIVMR-UHFFFAOYSA-N 299.395 3.654 30 20 CHED Cc1cc(C#N)ccc1OCc1cc(-c2ccco2)on1 171071283 RKKVDYLCEVJUCK-UHFFFAOYSA-N 280.283 3.694 30 20 CHED CCn1c(S[C@H](C#N)C2CCCCC2)nnc1C1CC1 115186385 BJGYWIZKGYNWKJ-CYBMUJFWSA-N 290.436 3.740 30 20 CHED N#Cc1cccc(N2CCCC[C@@H]2Cc2ccccc2)n1 301816396 DODZVUURJFFLBA-QGZVFWFLSA-N 277.371 3.555 30 20 CHED N#Cc1ccccc1Sc1ccc(C(=O)NC2CC2)cc1 175110908 NPPKDYCWEMYPIK-UHFFFAOYSA-N 294.379 3.602 30 20 CHED CC[C@H](CC(=O)N[C@@H](C#N)C1CCCCC1)C(C)C 176595347 UDJPMLWTOGIXJN-HIFRSBDPSA-N 264.413 3.647 30 20 CHED C[C@H]1CCCN(CCCCNc2ccc(F)cc2C#N)C1 301358748 LLGVNUDPGOOTHB-AWEZNQCLSA-N 289.398 3.621 30 20 CHED Cc1ccccc1CNc1ccc(Cl)c(C#N)n1 67346986 MAZKTJVJBIJIRD-UHFFFAOYSA-N 257.724 3.527 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc(Oc3ccccc3)o2)C1 179871046 RLRACACYOPLORU-JSGCOSHPSA-N 297.310 3.921 30 20 CHED CC(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66788976 SQNPNUNZVMTHKG-UHFFFAOYSA-N 280.327 3.945 30 20 CHED C=C(Br)CSc1cccc(C#N)c1 177102126 UOLGQQIIFXGECP-UHFFFAOYSA-N 254.152 3.559 30 20 CHED C=CCOc1ccccc1CNc1ncccc1Cl 301558389 JMUQUDONJFLISP-UHFFFAOYSA-N 274.751 3.912 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1ccc(F)c(C#N)c1 1435013836 GRGAKEOPBNFZGZ-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CC(C)C[C@@H](CCO)CNc1c(Cl)cccc1C#N 301418957 HELNNNWCPDQGNI-GFCCVEGCSA-N 280.799 3.668 30 20 CHED CC#CCCCC(=O)N(C)c1ccc(OC)c(Cl)c1 185839113 NBJVSGICUMTUTJ-UHFFFAOYSA-N 279.767 3.505 30 20 CHED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1c(C)noc1C 182080751 JRMZADDBVBWKSP-BDJLRTHQSA-N 283.375 3.965 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)C(=O)CCC2 188490854 ZLSWPSMNSBQYIJ-KRWDZBQOSA-N 271.360 3.746 30 20 CHED Cc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc1 188894025 PUJSGNOWARJETQ-MDZDMXLPSA-N 268.360 3.977 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc([N+](=O)[O-])cc1 34737399 LKXKHDLNJYFBPH-XFXZXTDPSA-N 297.310 3.890 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(Oc2ccccc2)cc1 183922727 FMJIXVBFOWITFP-OAHLLOKOSA-N 294.354 3.901 30 20 CHED C[C@@H](NCC1(CCO)CCCCC1)c1ccc(C#N)cc1 181874448 FVSICHWUHXFXFE-OAHLLOKOSA-N 286.419 3.542 30 20 CHED CCCCCCCNc1ccccc1C[S@@](C)=O 186082770 UNZAXILAGDIVMP-GOSISDBHSA-N 267.438 3.947 30 20 CHED CN(CCC1(C#N)CCCCC1)Cc1cc(Cl)cn1C 411322752 WEQWURZLCMSJFH-UHFFFAOYSA-N 293.842 3.974 30 20 CHED C=CCC[C@H](C(=O)Nc1cnccc1OC)c1ccccc1 188852851 TYAXAZAUNZURPE-HNNXBMFYSA-N 296.370 3.779 30 20 CHED CC(C)(CC#N)CN[C@@H](c1ccccc1)C(F)(F)F 414169751 SAARECPJVVSUKI-LBPRGKRZSA-N 270.298 3.819 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416111311 URGRHJAXWYIVNE-JLSDUUJJSA-N 296.414 3.878 30 20 CHED COCCCCCSCc1cc(F)ccc1C#N 125618550 XIKSOKXQSHCPIQ-UHFFFAOYSA-N 267.369 3.747 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 120718864 WHQZDLVQWNJWRI-BZNIZROVSA-N 290.432 3.541 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(Cl)cn1 123468464 JIBLOCPZKKXFOB-JTQLQIEISA-N 267.760 3.601 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1ccccc1CC#N 410827233 KFWXOTURKCCLCX-SNVBAGLBSA-N 284.281 3.670 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1CC[C@@H](CC2CC2)C1 413298395 MQXBANSBJDHUPI-NSHDSACASA-N 295.308 3.598 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 185823527 NAAOASVBSVOTMG-MRXNPFEDSA-N 298.430 3.658 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](C)[C@@H](C)CC)c1 502965292 BNMSIHBPLFNIDJ-STQMWFEESA-N 261.365 3.872 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)cn1 210072626 KZXBWHCIXNHFCR-YFHOEESVSA-N 268.360 3.614 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1ccc(Cl)cc1 79293684 XCPKBRQNWRMUAG-GFCCVEGCSA-N 281.783 3.500 30 20 CHED C[C@H](C#N)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 335998425 DFEHAYJMFGBCCH-NOZJJQNGSA-N 297.185 3.817 30 20 CHED CC1CCC(N(C)C(=O)c2cc(C#N)ccc2Cl)CC1 505225847 TZZRTUKLFWQKKZ-UHFFFAOYSA-N 290.794 3.862 30 20 CHED Cc1ccc(C)c(OCCSc2cc(C#N)ccn2)c1 71918229 CREIDTYZMVXGEK-UHFFFAOYSA-N 284.384 3.741 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1C)c1nc(C)cs1 186327993 XWPUYPNCNNVAPS-OAHLLOKOSA-N 285.416 3.873 30 20 CHED N#Cc1cc(F)ccc1NCc1ccc(Br)o1 126310636 ILUSETKIMRXFJQ-UHFFFAOYSA-N 295.111 3.665 30 20 CHED CC#CCCCC(=O)NCCc1ccc2ccccc2c1 185118403 GGVYTSZMGUQHGP-UHFFFAOYSA-N 279.383 3.692 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1OC1CC1 503948835 WYZQZWIHPWJQON-ZDUSSCGKSA-N 273.376 3.702 30 20 CHED Cc1cccc2c(NCCCC(C)(C)CO)c(C#N)cnc12 78303724 WPOQZLYSFKCEDL-UHFFFAOYSA-N 297.402 3.626 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](CC)c1c(C)noc1C 180995151 BNMIVVMCPHIUGW-FZMZJTMJSA-N 293.411 3.787 30 20 CHED C[C@H]1CCCC[C@H]1NC(=O)c1cccc(SCC#N)c1 79382311 NNXFJKAATFCXDW-SWLSCSKDSA-N 288.416 3.611 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1cccc2cc[nH]c12 187561308 SUMRAXQQWLXIRZ-KRWDZBQOSA-N 287.359 3.554 30 20 CHED C=CCC[C@H](C)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O 188902539 JIDBOIZWDNVXQD-LZLYRXPVSA-N 275.436 3.561 30 20 CHED COc1cc(C#N)ccc1COc1ccc(F)c(C)c1 500850733 CLKFXHHHBNQDTM-UHFFFAOYSA-N 271.291 3.593 30 20 CHED Cc1c(C#N)cccc1NCc1cccc2[nH]ccc12 181456317 QHBRTSRIJWIELB-UHFFFAOYSA-N 261.328 3.960 30 20 CHED CC(C)c1ccsc1C(=O)NCc1cccc(C#N)c1 48891186 JOOSZLLMKWQBCJ-UHFFFAOYSA-N 284.384 3.673 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](CC)C1 413842688 YKJGRKOLYCKJKB-WBVHZDCISA-N 286.419 3.615 30 20 CHED CSCc1ccccc1NC(=O)c1cccc(C#N)c1 186120666 YLQJMQYCVOVDEO-UHFFFAOYSA-N 282.368 3.674 30 20 CHED C=CCCCCCNc1cc(F)c(C(=O)OC)c(F)c1 509791208 SMQXVMGWIRNVOA-UHFFFAOYSA-N 283.318 3.910 30 20 CHED C[C@H](NC(=O)CSCCC#N)c1ccc2ccccc2c1 413016543 WCKOZXYKNUIVBU-ZDUSSCGKSA-N 298.411 3.664 30 20 CHED Cc1c[nH]ccc1=N/C(O)=N/[C@H]1CCCCC12CCCC2 329789558 CBJAYQOWAORYKR-HNNXBMFYSA-N 287.407 3.641 30 20 CHED CC(C)[C@H](C#N)NC(=O)C(C)(C)c1cccc2ccccc12 410701076 APIHQIDHUAXPMD-KRWDZBQOSA-N 294.398 3.782 30 20 CHED CCN(Cc1ccc(C#N)c(C)c1)Cc1occc1C 412024592 FWOWULHIXPTGLO-UHFFFAOYSA-N 268.360 3.790 30 20 CHED CCCCC[C@@H](C(=O)N(CC)CCC#N)C(C)C 133380506 FRDKLCISWMIYDH-CQSZACIVSA-N 252.402 3.601 30 20 CHED N#Cc1csc(CNc2ccc(Br)cc2)c1 86573558 DYRIZTJSBMBUKF-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C=CCCCCCSCc1cc(=O)n2ccccc2n1 195438793 PQORSTUSZDHWDC-UHFFFAOYSA-N 288.416 3.674 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)N[C@H]1CCCCC12CCCC2 329842803 XDWNAPGEWHBMEN-KKUMJFAQSA-N 289.423 3.685 30 20 CHED N#CC1(NC(=O)c2ccc(C3CCC3)cc2)CCCCC1 190825342 KHHZCXNTSXMBHN-UHFFFAOYSA-N 282.387 3.910 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCCC[C@@H]1C 424650362 UIZYLHVTQPXMML-LSDHHAIUSA-N 264.413 3.601 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnn(CCCC)c1CC 429079622 MIIUESMVTPRCOS-AWEZNQCLSA-N 291.439 3.720 30 20 CHED O/C(=N/CCC1CCCC1)Nc1scnc1C1CC1 328907911 CNGGWDJADBRLQD-UHFFFAOYSA-N 279.409 3.927 30 20 CHED CCN(CC)CCCNc1cc(C#N)ccc1C(F)(F)F 428108926 CODNJGLLFMETMF-UHFFFAOYSA-N 299.340 3.721 30 20 CHED N#Cc1c(CNc2cccc(F)c2)cn2ccccc12 193398756 PMBGWUMPVOOUEL-UHFFFAOYSA-N 265.291 3.562 30 20 CHED Cc1cc(C(=O)O[C@@H](C)C(C)(C)C#N)c(C)n1C(C)C 131073094 QRPUMJRVJGPXTA-ZDUSSCGKSA-N 276.380 3.781 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OC(C)C)cc1C 518319347 CXMSLUHMVSCUSD-UHFFFAOYSA-N 276.380 3.870 30 20 CHED C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1cccs1 46889808 LHRJQZCRAWYMPB-GFCCVEGCSA-N 299.399 3.522 30 20 CHED N#Cc1cnc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c(Cl)c1 513604073 TVAQBQREVJEKIE-XLFUENPSSA-N 287.794 3.843 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2ccn[nH]2)c1 190317780 CVHUPCOGJCOKQO-MRXNPFEDSA-N 269.348 3.618 30 20 CHED CC(C)[C@H](C(=O)NCc1ccc(C#N)s1)c1ccccc1 421600861 ITPYXPCCDCWMPL-INIZCTEOSA-N 298.411 3.676 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1ccc(Cl)s1 222037012 KSEAWIVVLZIZRJ-IHWYPQMZSA-N 296.731 3.677 30 20 CHED C=CCN(Cc1nc(C(F)F)no1)CC1CCCCC1 425404651 MBBKDMYGVPIDDY-UHFFFAOYSA-N 285.338 3.576 30 20 CHED C[C@H](OC(=O)CSCC#N)c1ccc(C(C)(C)C)cc1 192589961 LJPAJRMYPNSTKW-LBPRGKRZSA-N 291.416 3.845 30 20 CHED CCCCCCCC(=O)N(C)Cc1ccoc1C 194220711 CXBAECXLCYRVAU-UHFFFAOYSA-N 251.370 3.907 30 20 CHED Cc1c(C#N)cccc1-c1nc(-c2cccs2)no1 511256826 HUTQUUVWCSZJNZ-UHFFFAOYSA-N 267.313 3.645 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H](CC(F)F)c2ccccc2)C1 421378555 VKGZMCMDTNIVJX-XBFCOCLRSA-N 264.319 3.665 30 20 CHED COc1cc(C)nc(CSc2ccc(C#N)cc2F)c1 339741837 ASRMBUJGDGSDHX-UHFFFAOYSA-N 288.347 3.702 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2CC#N)C1 336283146 LPFAQWPCECLRHL-ZYHUDNBSSA-N 276.767 3.781 30 20 CHED CC1(C)CCC[C@H](c2noc(-c3ccc(C#N)nc3)n2)C1 339499241 NKOXTLJCKGOVJB-NSHDSACASA-N 282.347 3.687 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C=C)cc2)c1 192054557 HTKTUWLVYOYBJM-UHFFFAOYSA-N 261.324 3.588 30 20 CHED CC[C@@H]1CCCC[C@H]1/N=C(/O)c1cc(O)cc([N+](=O)[O-])c1 330756161 GZIXHKOXOQNZJP-QMTHXVAHSA-N 292.335 3.574 30 20 CHED Cc1ccc(C[C@H](C)N[C@H]2CCC[C@H](C#N)C2)s1 192882519 BMKVZTFYPTUWHB-UBHSHLNASA-N 262.422 3.660 30 20 CHED CC(C)(C)c1nc2ccc(NCCC#N)cc2s1 516762671 IQJFTPJAKVYLCI-UHFFFAOYSA-N 259.378 3.919 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC[C@H](C)C2)c1 510643372 GAYMEZCEMXLZJU-KBPBESRZSA-N 288.391 3.952 30 20 CHED C[C@@H](C(=O)N1CCC[C@@H]1c1ccco1)c1cccc(C#N)c1 336036562 SHDBMKWGWKYODM-CZUORRHYSA-N 294.354 3.618 30 20 CHED CC(C)c1ccoc1C(=O)Nc1ccc(C#N)c(F)c1 334683853 BKNNEGRZWKEBHZ-UHFFFAOYSA-N 272.279 3.666 30 20 CHED CCN(CC#N)Cc1ccc(-c2nc3ccccc3s2)o1 92398579 JNLPWPPLYTXCBD-UHFFFAOYSA-N 297.383 3.902 30 20 CHED C=CCCNc1cnn(-c2cccc(C#N)c2)c1CCC 519245068 LIEBCQKZHAQPBN-UHFFFAOYSA-N 280.375 3.684 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 331350731 NXCDECHUUGCJRQ-ATLSCFEFSA-N 298.430 3.700 30 20 CHED COC1(C/N=C(/O)c2oc(C3CC3)nc2C)CCCCC1 330060736 NCUVXTLOKWNIAQ-UHFFFAOYSA-N 292.379 3.514 30 20 CHED COc1ccc(C)cc1CS[C@@H]1CC[C@H](C#N)C1 439266700 RBNAJCZDDUCSFG-GXTWGEPZSA-N 261.390 3.929 30 20 CHED Cc1ncc(/C(O)=N/CC2CCCCC2)c(C(C)C)n1 330799166 YQMMYOJWUIBVLH-UHFFFAOYSA-N 275.396 3.793 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(COC)o1 93100975 XJRIWJZVCCTQRU-UHFFFAOYSA-N 278.396 3.578 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H]1CC(C)C 432563854 WOTZRXCZFZEQLB-CQSZACIVSA-N 266.429 3.809 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 334436664 QGPSXQMGWREJMX-LJQANCHMSA-N 287.366 3.597 30 20 CHED N#Cc1ccc(SCc2ccc(C#N)cc2Cl)nc1 438899891 KPKVQCZWRBPSQA-UHFFFAOYSA-N 285.759 3.771 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2c(OC)ccnc12 526042830 STDFJKBPZDJZHQ-KRWDZBQOSA-N 284.359 3.784 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@H]1CCCC[C@@H]1C 522633825 ZDCRMRQDHZYZKE-GXTWGEPZSA-N 286.375 3.722 30 20 CHED N#CCC[C@H](C#N)CN1CCC[C@H](c2ccccc2)CC1 246509535 CTKNBFIAUTWDLK-AEFFLSMTSA-N 281.403 3.700 30 20 CHED CCn1c([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)nc2ccccc21 248704525 AQMIXOJHYDINMX-ZNMIVQPWSA-N 296.418 3.789 30 20 CHED C=CC[C@@H](CC)N[C@H](CC)c1ccc2c(c1)OCCO2 343517153 XZNFCFBTUQJDIN-HUUCEWRRSA-N 275.392 3.853 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C 438138500 DYDYCUPAZCEJHW-HZPDHXFCSA-N 296.455 3.578 30 20 CHED CCCN(CCCSCC#N)[C@H]1C[C@H](OCC)C1(C)C 342145637 KZMXUJKIECZBPQ-GJZGRUSLSA-N 298.496 3.549 30 20 CHED CC(C)(C#N)CCSCc1ccc(C#N)c(F)c1 342000700 IHCVSLZCCOGXQU-UHFFFAOYSA-N 262.353 3.870 30 20 CHED CC(C)(C)[C@H]1CCCN1Cc1cccc(C#N)c1F 539248478 SGJRZWOVNGQRBV-CQSZACIVSA-N 260.356 3.708 30 20 CHED C=CCOCCCC(=O)N(CCC)Cc1ccccc1F 608109016 WUFWJILPKXVCGS-UHFFFAOYSA-N 293.382 3.547 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCSc3c(F)cccc32)C1 349339461 CXALVOKXHITRNU-SUNKGSAMSA-N 276.380 3.644 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)NCC1(CC#N)CC1 430073795 YPTSHENWWUTYQZ-LBPRGKRZSA-N 262.784 3.554 30 20 CHED CSCc1ccc(CNc2nccc(C)c2C#N)cc1 343918284 REDLNSPYIIAIMA-UHFFFAOYSA-N 283.400 3.737 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(O)cc1OCCC 430473690 CNGCBHMHBRFYSO-GFCCVEGCSA-N 277.364 3.722 30 20 CHED N#C[C@]1(C(=O)Nc2cccc3cnccc23)CC12CCCC2 602222727 IKCINKZVPPBQCM-SFHVURJKSA-N 291.354 3.647 30 20 CHED C[C@@H](NC(=O)c1cc2occc2s1)c1ccc(C#N)cc1 609854677 TVYJYELPYCPKSH-SNVBAGLBSA-N 296.351 3.857 30 20 CHED CCC1(C)CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 435001624 VFJPKHSFFIYZNQ-UHFFFAOYSA-N 296.414 3.629 30 20 CHED N#CCN(C(=O)C[C@H]1CCc2ccccc21)c1ccccc1 609652098 WEPQSPRGHKEVGH-MRXNPFEDSA-N 290.366 3.663 30 20 CHED CC[C@H](C)n1[nH]c(=N[C@@H](C)c2cccc(C#N)c2)cc1C 525951849 ATVBCJHXJCAPSI-JSGCOSHPSA-N 282.391 3.629 30 20 CHED C[C@@H](C#N)C(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)no1 609921886 QRLJJKYQFZBZFL-NSHDSACASA-N 297.358 3.737 30 20 CHED N#Cc1csc(/C=C2/Cc3cc(F)ccc3C2=O)c1 255171145 DDBLHGZGMRQQBC-WDZFZDKYSA-N 269.300 3.581 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCC(C)(C)[C@@H]1CC=C 347481720 KGSAZWIZKGOOJN-CABCVRRESA-N 279.424 3.561 30 20 CHED Oc1nc2ccccc2cc1C=Nc1ccc2[nH]ncc2c1 255500077 WCCWMBHKYRQAEX-UHFFFAOYSA-N 288.310 3.567 30 20 CHED C=CC1CCN([C@@H](C)c2cc(F)ccc2F)CC1 600683421 XYLFFMBEUINYRO-NSHDSACASA-N 251.320 3.924 30 20 CHED C=CCc1cc(/C=C\C(=O)c2occc2C)cc(OC)c1O 255383854 LYUFGBSGWCJQQX-SREVYHEPSA-N 298.338 3.927 30 20 CHED C[C@H](CCc1c(F)cccc1F)N[C@H]1CC[C@@H](CC#N)C1 449446042 NMTXMXBSXNMTJD-RDBSUJKOSA-N 292.373 3.958 30 20 CHED N#Cc1ccc(N2CCCO[C@@H](c3ccccc3)C2)c(F)c1 609232877 JTQFHMDSSSLJDX-GOSISDBHSA-N 296.345 3.665 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1ccsc1 255049993 LTQAOWXAZBKRKT-RJRFIUFISA-N 250.269 3.922 30 20 CHED CCOc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 353274377 PAYGCQDGNNYBCI-GOSISDBHSA-N 292.382 3.734 30 20 CHED C[C@@H]1COCC[C@H]1CN[C@H]1CCCCc2cc(C#N)ccc21 353979505 RDYMHGMMJADOHQ-LJHODMEESA-N 298.430 3.588 30 20 CHED CC1(C#N)CCC(NCCSc2ccccc2)CC1 449064575 VBZPDLPMPSOSMB-UHFFFAOYSA-N 274.433 3.841 30 20 CHED C[C@H](CC#N)NCc1csc(C2CCCCC2)n1 602864350 SBOIAFGYUCQYOA-LLVKDONJSA-N 263.410 3.583 30 20 CHED CC[C@H](C(=O)N(CCC#N)CC1CC1)C1CCC(C)CC1 359321858 VZBQLWMKJGFKKW-PREGVCBESA-N 290.451 3.991 30 20 CHED C=CCS[C@H]1CCN(c2ccc(Cl)cc2F)C1=O 600619781 CKSSGGVPTUGWQN-LBPRGKRZSA-N 285.771 3.504 30 20 CHED C=CCNc1ccc(Cl)cc1OCC(F)(F)F 532048085 VCRKKTPHARCUOQ-UHFFFAOYSA-N 265.662 3.879 30 20 CHED CCc1cc(C#N)ccc1OCc1ccc(CC#N)cc1 442141215 YGXMFJRUDPGCOE-UHFFFAOYSA-N 276.339 3.766 30 20 CHED C=CCC1(C(=O)Nc2ccc(N(CC)CC)nc2)CCC1 358506050 WUEGZOKHMUOJKR-UHFFFAOYSA-N 287.407 3.613 30 20 CHED C=C(C)CNC(=O)Nc1ccc(OC(C)C)cc1Cl 445046895 HHFMMGTVSBNAOQ-UHFFFAOYSA-N 282.771 3.825 30 20 CHED C=CCC[C@H](NC(=O)C1CC(OCC)C1)c1ccccc1 355047524 RWBXGXAHIIQHGJ-JCYILVPMSA-N 287.403 3.625 30 20 CHED N#Cc1cccc(CNC2(Cc3ccc(F)cc3)CC2)c1 449567256 SPPBIRLICPYMQZ-UHFFFAOYSA-N 280.346 3.562 30 20 CHED Cc1cc(CN(C)CCOc2ccc(C#N)cc2)ccc1F 444728586 DWXQSWNEWLZAAW-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C=CCCNC(=O)CCC(=O)c1ccc(CC(C)C)cc1 617614820 OVXGGHDLNVUUPQ-UHFFFAOYSA-N 287.403 3.540 30 20 CHED Cc1ccc(C#N)nc1NCc1cccc(C(F)(F)F)c1 611398950 DLZSKIBYWXWLGE-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC[C@@H](NCCCN1CCCC[C@H]1C)c1ccc(C#N)cc1 447511216 SKPFORGXKYGIAD-VQIMIIECSA-N 299.462 3.863 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@@H](C)c1cc(F)cc(F)c1 449298151 GDBXECIQYHFNAP-IGCXYCKISA-N 295.373 3.639 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 355658614 RABZDMWHNKSZPW-GDZNZVCISA-N 288.366 3.518 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCC[C@@]2(CCCCO2)[C@H]1C#N 448270206 DFGNOBAGIFJQDI-TVFCKZIOSA-N 290.451 3.740 30 20 CHED C=CCC[C@@H](NC1CCC(C(=O)O)CC1)c1ccccc1 263376253 AOBLXUACIKFPOJ-OFLPRAFFSA-N 287.403 3.927 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cccc(OC(C)(C)C)n1 539047106 RVVVWGBZZBNUEM-KBPBESRZSA-N 276.424 3.949 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 539034813 JJMAXRFMPHPHRG-MNOVXSKESA-N 275.314 3.532 30 20 CHED N#Cc1cc(CN[C@@H](c2ccccc2)C2CCC2)ccn1 610993626 XBQPBLVULPGTRN-SFHVURJKSA-N 277.371 3.584 30 20 CHED Cc1cc(C)c(CC(=O)N(C)c2ccc(C#N)cc2)c(C)c1 538031298 VVJBUAIHCUTPKS-UHFFFAOYSA-N 292.382 3.689 30 20 CHED N#CCCCNC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 454789632 PXIASHCCNBIPOZ-IAGOWNOFSA-N 299.418 3.563 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cccc(C2CC2)c1 451117433 UQUHJNPAFDHPMS-ZDUSSCGKSA-N 254.377 3.908 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 530597291 RNTSLUJFVHASGB-LKFCYVNXSA-N 299.201 3.905 30 20 CHED CCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 618743093 WGTYMJVQUSGPNL-LJQANCHMSA-N 292.382 3.734 30 20 CHED C=CCC[C@H](NCCCn1ccnc1C)c1ccccc1 269444936 UKKVDRVHRZJRPR-SFHVURJKSA-N 283.419 3.879 30 20 CHED C[C@H](C#N)CNCc1ccc(OCc2cccc(F)c2)cc1 612584979 ADJXUGKYLUUARO-CQSZACIVSA-N 298.361 3.654 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1nc(C(F)(F)F)cs1 278847080 SFKYFRCCEITFKO-SSDOTTSWSA-N 298.293 3.602 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](CSC)C2)CCCC1 452161551 OQMKXVJIMDCLPX-AWEZNQCLSA-N 281.465 3.725 30 20 CHED C=CCC1(NC(=O)c2ccc3c(c2)ncn3C)CCCCC1 456366312 MCYWHLRPYOQDRD-UHFFFAOYSA-N 297.402 3.582 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)s1 611265470 TWFUGYYVDCHYNJ-INIZCTEOSA-N 284.384 3.662 30 20 CHED CC(C)c1ccc(C(=O)N(CCC#N)C(C)C)s1 545518779 WJDUUZNCRFPEIE-UHFFFAOYSA-N 264.394 3.636 30 20 CHED N#CCC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 543807991 NFZXMRWUJRDLSZ-UHFFFAOYSA-N 299.349 3.606 30 20 CHED C=C[C@H](CC(=O)N1CC=C(C)CC1)c1ccccc1 270359055 IMIDWGPLCWKAQB-OAHLLOKOSA-N 255.361 3.525 30 20 CHED C=CCCOCCN[C@H]1C[C@@H](C)c2c(C)cccc21 540151713 SWPKALNQIKSFHJ-ZBFHGGJFSA-N 259.393 3.726 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1F 362283893 DOTSOJACMWSMJR-UHFFFAOYSA-N 290.244 3.887 30 20 CHED C=CCC[C@H](C)NC[C@H](CO)Cc1c(F)cccc1Cl 544567398 BZMDYVFSRNXLFW-QWHCGFSZSA-N 299.817 3.574 30 20 CHED C=C[C@](C)(CC)c1nc(COc2ccccc2F)no1 276186881 LESRKLJMFFWCOE-OAHLLOKOSA-N 276.311 3.641 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(CC#N)cc1 270421998 USBXKPQMQJJRNP-WMLDXEAASA-N 284.403 3.793 30 20 CHED CC#CCCCC(=O)NCc1cccc(Cl)c1Cl 545924449 HWSJUFWUUSOSST-UHFFFAOYSA-N 284.186 3.803 30 20 CHED C=CCCc1noc([C@@H]2C[C@@H]2c2sccc2C)n1 453238612 QTJZARRZSIUIMO-WDEREUQCSA-N 260.362 3.829 30 20 CHED CC(C)(CCC#N)CN1CCCc2c(F)cccc21 543739184 KWQCYCKQTVGBOV-UHFFFAOYSA-N 260.356 3.908 30 20 CHED CC[C@H](NC[C@@H](O)c1cccc(C)c1)c1ccc(C#N)cc1 278854560 VWOVGSXNGWFJSL-RBUKOAKNSA-N 294.398 3.641 30 20 CHED C=CCC(CC=C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 545531368 RXNOYPCXYKLSJW-UHFFFAOYSA-N 299.330 3.804 30 20 CHED C[C@@H](Cc1cccs1)NC(=O)Nc1cccc(CC#N)c1 455910297 CMPNVBWOQBUPEX-LBPRGKRZSA-N 299.399 3.567 30 20 CHED C=CCC1(C(=O)N2C[C@@H]3CCC[C@H]3C2)CCCCC1 450087517 DETXYCSDFQWLCH-GJZGRUSLSA-N 261.409 3.772 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCCc2sccc21)OCC 274304300 GEPIJLXYWSHKQR-KBPBESRZSA-N 293.432 3.613 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H](OC)c1ccccc1F 276917658 LUVQGZQBAVJRIC-ISTRZQFTSA-N 293.382 3.620 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCc2sc(Cl)cc21 462048866 VOZXVSFYRZCILA-NSHDSACASA-N 296.823 3.772 30 20 CHED C=CCCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C 462362333 QCEZHRDXCDBZMJ-UHFFFAOYSA-N 295.448 3.571 30 20 CHED CC#CCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 469446177 LNSOLRMNNXKGBL-UHFFFAOYSA-N 275.342 3.857 30 20 CHED CCOC1CC(CSCc2ccccc2C#N)C1 285059053 KZESPCOZCNHVGY-UHFFFAOYSA-N 261.390 3.607 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1ccccc1 280537579 CPZSYQJGWOEKLF-IKGGRYGDSA-N 259.393 3.709 30 20 CHED CC#CCSCc1nc(-c2cccs2)oc1C 464092750 BQKFNBYLHJVYFB-UHFFFAOYSA-N 263.387 3.968 30 20 CHED N#C[C@H]1CCC[C@H](NCCCSc2ccccc2)C1 463294577 ULWMFGHTFZIGJV-GJZGRUSLSA-N 274.433 3.841 30 20 CHED C#CCCCN1CCC(c2noc3cc(F)ccc23)CC1 289798698 MUNJXSHRPXTZMJ-UHFFFAOYSA-N 286.350 3.560 30 20 CHED C=CCC[C@@H](NCc1ccc(N(C)C)nc1)c1ccco1 285583562 IUGXJWODSVIVJJ-OAHLLOKOSA-N 285.391 3.538 30 20 CHED C=CC[C@H](C)N[C@@H](COC)c1cccc(Cl)c1F 558260075 XGDXXLFELVELFM-GWCFXTLKSA-N 271.763 3.721 30 20 CHED N#Cc1cc(C(=O)N(C2CCC2)C2CCC2)ccc1Cl 553857079 JCJSDYGDNKUETR-UHFFFAOYSA-N 288.778 3.759 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](SCC)C1 551707181 WDFJCPMGFNKDKB-CHWSQXEVSA-N 269.454 3.769 30 20 CHED C=CCC[C@H](NCC1(C)CCOCC1)c1ccco1 286225367 SMBJHWPHKSVXMU-AWEZNQCLSA-N 263.381 3.693 30 20 CHED CCCC[C@@H](CC)C(=O)N(C1CC1)C1(C#N)CCC1 464476234 RHGCWULZVXUJDH-CYBMUJFWSA-N 262.397 3.640 30 20 CHED C[C@H](CCC1CC1)NC1(c2cccc(C#N)c2)CC1 556605980 OEIZYKIHHIRRMV-CYBMUJFWSA-N 254.377 3.716 30 20 CHED C=CCCCCN[C@@H](c1ccc(F)cn1)C(C)C 471615621 VFGWAAWXVZYLBU-OAHLLOKOSA-N 250.361 3.864 30 20 CHED C=CCCCc1nc(-c2ccc(F)cc2F)no1 551463848 CLQLGUSZESZFPE-UHFFFAOYSA-N 250.248 3.524 30 20 CHED N#CCCCNC(=O)c1c(Cl)cc(Cl)cc1Cl 295760572 OVSPTQVLPVGGMD-UHFFFAOYSA-N 291.565 3.680 30 20 CHED Cc1cccc(C2(c3noc(CC(C)(C)C#N)n3)CC2)c1 290175168 SHPYBBJJSDOFTJ-UHFFFAOYSA-N 281.359 3.550 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1nccn1C(C)C 299577547 IKDDXGKNULXWAB-UHFFFAOYSA-N 294.402 3.524 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(F)cc1SC 648620513 MEQZIHOSOFWNTM-UHFFFAOYSA-N 253.342 3.698 30 20 CHED Cc1ccccc1[C@H](N[C@H]1CC[C@@H](C#N)C1)C(C)C 471590198 VFKBLYJHYMRRMN-HLLBOEOZSA-N 256.393 3.974 30 20 CHED C#C[C@@H](Nc1cc(CC)ncn1)c1ccc(Cl)cc1F 804808246 NBVZWKINWMUZPA-CQSZACIVSA-N 289.741 3.618 30 20 CHED C#C[C@H](NC(=O)N[C@H](C)[C@@H](C)c1ccccc1)C(C)(C)C 808278933 MWJHXFQCBILESU-FMKPAKJESA-N 286.419 3.526 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](C)CCCc1ccccc1 292532070 VBLYDIMCWKKTKE-MRXNPFEDSA-N 284.403 3.574 30 20 CHED CC1(CN[C@H]2CCc3ccc(C#N)cc32)CCCC1 564423907 NAEIFQGZDRKOCB-INIZCTEOSA-N 254.377 3.715 30 20 CHED CCOc1ccccc1[C@H](CC(C)C)NCCC#N 298842300 ICQRRSBGFMAINB-HNNXBMFYSA-N 260.381 3.676 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cccc(Cl)c1F 562190500 WQQZGMXCGZKIPQ-LLVKDONJSA-N 283.774 3.883 30 20 CHED CC[C@@H]1CCC1=NN[C@@H](C)CCc1ccc2c(c1)OCO2 807987449 GFXIOZLBMLLANF-GXTWGEPZSA-N 288.391 3.502 30 20 CHED C#Cc1ccc(CN[C@](C)(CC)c2nc(C)cs2)cc1 809620242 FXZKRJBTCBHYOF-QGZVFWFLSA-N 284.428 3.848 30 20 CHED CN(C)CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C 568569397 QEDATJMGMJPKIU-ZWKOTPCHSA-N 299.462 3.502 30 20 CHED C=CCCCCNC(=O)NCCc1ccccc1Cl 472943287 MWFDHEUNGWWOIC-UHFFFAOYSA-N 280.799 3.538 30 20 CHED CN(Cc1c(F)cccc1F)CC(C)(C)CCC#N 293712548 SNNCMLOSJSMSCR-UHFFFAOYSA-N 266.335 3.727 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(Cl)cc1C(F)(F)F 472356379 QPKHBDXWFVZYEY-ZETCQYMHSA-N 277.673 3.663 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1ccccc1C(=O)O 565035512 IZADIGHNGJPXJO-UHFFFAOYSA-N 295.338 3.905 30 20 CHED CCCC[C@@H](SCc1cc(F)ccc1C#N)C(=O)OC 475887627 WQKPWXYDXNBXNI-CQSZACIVSA-N 295.379 3.662 30 20 CHED C=C(C)Cn1c(C)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 291030390 NIUWJZOHYQPUBK-WMLDXEAASA-N 296.418 3.545 30 20 CHED Cc1nn(C)c2sc(C(=O)/C=C/c3ccc(O)cc3)cc12 806576699 GXZAFRKPLQYOMM-VMPITWQZSA-N 298.367 3.545 30 20 CHED C=CCC[C@H](C(=O)OCc1ccncc1)c1ccccc1 803451047 XRJQSYQNWXAZHU-KRWDZBQOSA-N 281.355 3.875 30 20 CHED C=CCCC1(C(=O)N(C)C[C@@H](C)c2ccccc2)CC1 475594566 GKWAAICWQYEVNB-OAHLLOKOSA-N 271.404 3.995 30 20 CHED C=CCOc1ccc(CNC(=O)c2ccc(F)cc2C)cc1 560708259 BPIMRCRMHRWOBN-UHFFFAOYSA-N 299.345 3.629 30 20 CHED CC(C)CC(=NN[C@@H](C)c1ccncc1)c1ccccn1 819816970 TVBGQBORQIJCJP-AWEZNQCLSA-N 282.391 3.578 30 20 CHED CCOc1ccccc1C=NNc1ccc(F)c(F)c1F 814945079 JZRTVODIQQIZID-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CCC[C@H](N=c1ccc(Cl)c(C#N)[nH]1)c1ccccc1 486429655 CZMGADIGQREJGZ-AWEZNQCLSA-N 285.778 3.982 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CSc3ccccc31)CC2 563296367 TZVCZTULLPOEHE-IAGOWNOFSA-N 292.407 3.982 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1CCCc2sccc21 488878319 LRUVQLIBPVBQSA-JSGCOSHPSA-N 275.417 3.735 30 20 CHED COc1ccc(NN=C2CCC[C@H]2C(C)(C)C#N)cc1 814885344 WPDOBNPBTDKSLY-CQSZACIVSA-N 271.364 3.813 30 20 CHED COc1ccccc1CC(=NOCCOC(C)C)C(C)C 812239989 GDLJQZQKCPZAIU-UHFFFAOYSA-N 293.407 3.691 30 20 CHED CCN(CCOCCC#N)c1ccc2ccccc2c1 815066926 JVRQLTIHYNEKJV-UHFFFAOYSA-N 268.360 3.596 30 20 CHED C=C[C@@H](CC(=O)OCC(=O)C(C)(C)CC)c1ccccc1 811164965 OOVYFBXFUROVGM-AWEZNQCLSA-N 288.387 3.895 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1CC(C)C 815785608 HTNGXTCRQCIWRV-GFCCVEGCSA-N 259.340 3.625 30 20 CHED CC1(C)C[C@@H](NN=C2CC[C@H](c3ccccc3)C2)CCO1 814907880 BVFKQAXRVJCLOP-RDJZCZTQSA-N 286.419 3.857 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(F)cc1C 815621716 BLJLXBRLNYDXCW-CPUCHLNUSA-N 277.383 3.766 30 20 CHED C=CCN(Cc1cc2ccc(F)cc2[nH]1)CC(F)(F)F 488301488 VRXDALHUBXBLQO-UHFFFAOYSA-N 286.272 3.857 30 20 CHED C=CC[C@@H]1N(c2nnc(CCCC)n2C)CCCC1(C)C 571247570 TYVXBBGELVEUMZ-AWEZNQCLSA-N 290.455 3.729 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC[C@@H]1[C@H](C)CCC 574495161 YVZSXBUZMQSXMS-HUUCEWRRSA-N 290.455 3.822 30 20 CHED N#Cc1cnccc1SCc1c(F)cccc1F 579783373 WRIIWGASCYYVCJ-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccccc1[N+](=O)[O-] 814685369 GUTHNDBLXWPQCP-LLVKDONJSA-N 286.335 3.713 30 20 CHED COc1cccc([C@@H](C)C(=O)Nc2ccccc2CC#N)c1 577097422 NRQUUKGGDIHMTH-CYBMUJFWSA-N 294.354 3.503 30 20 CHED Cc1cc(C)cc(NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)c1 814753594 QVBCXXXIVFYZNB-STQMWFEESA-N 274.364 3.592 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N(CCC#N)c1ccc(F)cc1 579112144 ARKBIRKQHYKDMJ-CJNGLKHVSA-N 288.366 3.899 30 20 CHED C#Cc1ccccc1CC(=O)OCc1ccccc1SC 810664735 IRWZNWHYEKCDBB-UHFFFAOYSA-N 296.391 3.676 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3cccnc3)C2)CCCC1 579595930 LVEGSGGZZRNUGI-INIZCTEOSA-N 284.403 3.534 30 20 CHED Oc1ccc(/C=N/CCCCCc2ccccc2)c(O)c1O 727653667 VOODOIFDLKBOQM-CPNJWEJPSA-N 299.370 3.635 30 20 CHED Cc1cc(O)c(CN(CC#N)C2CCCC2)cc1Cl 824850942 QJFRPZNVEPGWBY-UHFFFAOYSA-N 278.783 3.622 30 20 CHED Fc1ccccc1-c1ccc(C=NNC2CCCC2)o1 727652308 NAAKJWYPZNJNHZ-UHFFFAOYSA-N 272.323 3.952 30 20 CHED C=CCC(C)(C)CNC(=O)N1[C@H]2CC[C@H]1CC(C)C2 661235706 VDIKBJUJQIAHGI-KBPBESRZSA-N 264.413 3.561 30 20 CHED C=CCC1(c2nc(Cc3cncs3)no2)CCCC1 576436337 FSPUBFFDZLIGKL-UHFFFAOYSA-N 275.377 3.505 30 20 CHED N#CCOc1ccc(CSc2ccc(O)cc2)cc1 729241406 HDZYXRYCXVDBDM-UHFFFAOYSA-N 271.341 3.587 30 20 CHED C=CCC1(N[C@@H]2CCCC(C)(C)C2)CCOCC1 668551854 YQFYHEOZKALELW-CQSZACIVSA-N 251.414 3.670 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)Cc2ccsc2)C1 660438817 GCBHFRVCTGUEDA-KBPBESRZSA-N 292.448 3.677 30 20 CHED C=C(CNC(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 908205760 ABDAWQNPOHDMSZ-QGZVFWFLSA-N 299.414 3.555 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@H](N2CCCC2=O)C1 582252800 SBXPHVOARAHLDC-BBWFWOEESA-N 292.467 3.645 30 20 CHED N#Cc1ccnc(N2CCC[C@@H](c3ccc(F)cc3)CC2)c1 584044505 DBMPYFCLAGQGSK-OAHLLOKOSA-N 295.361 3.866 30 20 CHED Fc1cccc(F)c1NN=Cc1cccc2cccnc12 735614804 BXFIMZKNXCSSSY-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Cc1ccc(OCC)cc1 665542292 YZYHISYLNLIXAG-CQSZACIVSA-N 289.419 3.592 30 20 CHED C=CCC1(NC(=O)Nc2ccnn2C(C)(C)C)CCCC1 666787554 IAMKYAUXTPTVAR-UHFFFAOYSA-N 290.411 3.649 30 20 CHED CC(C)c1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)nc1 581858585 XDBKXINHPGOWOD-GOSISDBHSA-N 299.418 3.797 30 20 CHED CC[C@@H]1Cc2ccccc2CN1c1cc(C#N)cc(C)n1 588018937 OVOVAGWPIBCVAE-QGZVFWFLSA-N 277.371 3.603 30 20 CHED Oc1ccc2ccccc2c1/C=N\CC[C@@H]1CCCCO1 588409868 FORRVOUWMQKNMN-CCNLRRDASA-N 283.371 3.924 30 20 CHED C[C@]1(C/N=C\c2cc(Cl)cc(Cl)c2O)CCOC1 733081210 QXASPCSPVRWMOH-LLYLVAKQSA-N 288.174 3.545 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cccc(Cc2ccccc2)c1 580820412 MXFGEIPKXJZPQI-IBGZPJMESA-N 292.382 3.699 30 20 CHED CC(C)n1cncc1/C=C1/CCc2sccc2C1=O 901466659 CDJILMQRCVLLGU-XFFZJAGNSA-N 272.373 3.738 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H](C2CCC2)C2CC2)cc1 835069057 JZDYXKPAGKPHMA-FZKQIMNGSA-N 284.403 3.646 30 20 CHED CC[C@H](C)[C@@H](C=NNc1cc(C(F)(F)F)ccn1)OC 834985502 NBIFAANLIYIPBF-GXSJLCMTSA-N 289.301 3.559 30 20 CHED CCC(C)(C)OCC(=O)OCCCCC1(C#N)CCC1 909382304 MWRFUFJCHYBKJJ-UHFFFAOYSA-N 281.396 3.599 30 20 CHED CC[C@@H](C)[C@H](C=NNc1ccc(C(F)(F)F)cn1)OC 834921574 XEGAQFATMDGFHR-KOLCDFICSA-N 289.301 3.559 30 20 CHED CC[C@@H](NCc1ccc([C@@H](C)O)cc1)c1cccc(C#N)c1 902762008 DLEZXQQVHUCDOL-AUUYWEPGSA-N 294.398 3.852 30 20 CHED Cc1ccc(/C=C/C(=O)c2c(C#N)c3n(c2C)CCC3)s1 730086022 XMZMFWSAMUVKDG-BQYQJAHWSA-N 296.395 3.880 30 20 CHED COc1ccc2c(c1)[C@H](NCC1(C#N)CCC1)CCS2 903033304 SNNBUDFZGDRKOK-CQSZACIVSA-N 288.416 3.516 30 20 CHED COc1cccc(C)c1C=NN[C@@H]1CCc2c(F)cccc21 835021233 MPXFRMBJYPRRPW-QGZVFWFLSA-N 298.361 3.754 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]([C@H]2CCNC2)C1 831742241 YDAIRWLWWVFAEC-DLBZAZTESA-N 294.483 3.585 30 20 CHED Cc1cc(Cl)ccc1NN=C1C[C@H](C)n2ccnc21 905506539 MOBNDPANQBHURQ-JTQLQIEISA-N 274.755 3.626 30 20 CHED C#CCC[C@@H](C)OC(=O)CCc1ccc(Cl)s1 839036798 XVGYGNSAEKYWIT-SNVBAGLBSA-N 270.781 3.679 30 20 CHED CC(C)n1cncc1/C=C1\Cc2c(F)cc(F)cc2C1=O 901487018 WROXHMRZDOPEGZ-XCVCLJGOSA-N 288.297 3.565 30 20 CHED C=CCOc1cccc(NC(=O)CCCCCC#N)c1 588153422 ORLVNOMKGRZKTO-UHFFFAOYSA-N 272.348 3.664 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(-c2ccc(F)cc2)cc1F 730057199 QFAIEUBJAZFWRU-JTQLQIEISA-N 287.265 3.701 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccc(C)nc2C)cc1 834890061 IKBLYHDOZPIBBC-OAHLLOKOSA-N 294.398 3.561 30 20 CHED CC[C@@H](NCc1ccc([C@H](C)O)cc1)c1cccc(C#N)c1 902762009 DLEZXQQVHUCDOL-IFXJQAMLSA-N 294.398 3.852 30 20 CHED COc1cc(CN[C@@H](C)[C@@H](C)c2ccccc2)ccc1C#N 583535366 HLJOUHWKHBJKKE-CABCVRRESA-N 294.398 3.849 30 20 CHED CC(C)(C)C1=CCN(C(=O)c2cc(C#N)ccc2F)CC1 831307221 XPRMWUCWCVFPAQ-UHFFFAOYSA-N 286.350 3.516 30 20 CHED CSCCCN(C)c1c(C#N)cnc2c(C)cccc12 589597812 WXTGVCXPPIUNHI-UHFFFAOYSA-N 285.416 3.604 30 20 CHED C=CCNC(=S)N[C@@H](c1ccc(F)cc1)C1CCCC1 918728795 ZQFJSEZBJVWXAL-OAHLLOKOSA-N 292.423 3.707 30 20 CHED S=C(NN=Cc1cccs1)Nc1cccc(Cl)c1 916285116 RTCDVXFVOGMVAM-UHFFFAOYSA-N 295.820 3.722 30 20 CHED Cc1cc2ccccc2nc1NN=C1C[C@H](C)O[C@@H]1C 834969383 ARUIODRGEKOHLN-NWDGAFQWSA-N 269.348 3.508 30 20 CHED C=CCCOCc1nc(-c2cccc(C(F)(F)F)c2)no1 598533087 FZAZAEXEXOFZLE-UHFFFAOYSA-N 298.264 3.848 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2nc(C)cs2)C1(C)C 915100352 WNHQEAVIPFAGEP-XQQFMLRXSA-N 288.416 3.866 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(Cl)nc2)ccc1O 748999502 YPFHIKUGIWSKNT-GORDUTHDSA-N 273.719 3.645 30 20 CHED C=CCOCCCC(=O)OCc1c(F)cccc1Cl 745530689 SHPLLASIPBNOJP-UHFFFAOYSA-N 286.730 3.505 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ncoc1-c1ccccc1 678881885 XSVJFJYAVZLCDI-CYBMUJFWSA-N 284.359 3.816 30 20 CHED C=C(Br)COC(=O)[C@@H](CC)CCCC 919223359 UUCVTEQAFKOWRO-JTQLQIEISA-N 263.175 3.655 30 20 CHED C=CCC[C@H](NC1CCC(O)(CC)CC1)c1ccco1 671751079 OINTXBNUQWBCGU-CKDBGZEDSA-N 277.408 3.960 30 20 CHED N#CCN(C(=O)CC1CC(F)(F)C1)c1ccc(Cl)cc1 592654048 YDNBGFWEQNPYMT-UHFFFAOYSA-N 298.720 3.632 30 20 CHED N#CCC1(OC(=O)[C@H]2CCSc3ccccc32)CCC1 842351827 AIWUNUTUVXUACB-ZDUSSCGKSA-N 287.384 3.646 30 20 CHED C[C@H]1CC(=NNc2cccnn2)C[C@@H](c2ccccc2)C1 749859571 RCZSUASHDGGOLD-HIFRSBDPSA-N 280.375 3.848 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)Oc2ccccc21 742436320 JXNAXFSWALJRRR-ZSOIEALJSA-N 258.223 3.581 30 20 CHED C=C(CN[C@H](C)c1nc2ccccc2n1C)c1ccccc1 678683726 HXIWJMOCJRUCOU-OAHLLOKOSA-N 291.398 3.937 30 20 CHED CCO[C@@H]1CC(=NNc2cccc3cnccc23)C12CCC2 741164558 PYUOXIYKXYCKQN-QGZVFWFLSA-N 295.386 3.982 30 20 CHED CC[C@H](Cc1ccccc1)NCc1ccc(OC)c(C#N)c1 742369546 JZZLSNLZOUVKRJ-GOSISDBHSA-N 294.398 3.678 30 20 CHED CC[C@H](NC(=O)NCC1(CC#N)CC1)c1cc(C)ccc1C 599048791 OQEWGAMGZXRYOD-INIZCTEOSA-N 299.418 3.748 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCC[C@@H](SC)C1 596316992 LEQWZAZQGGVFNO-CHWSQXEVSA-N 284.469 3.705 30 20 CHED C#Cc1cccc(N(C)CCOc2ccccc2OCC)c1 743846430 NRXPLYJTYKSIAL-UHFFFAOYSA-N 295.382 3.582 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccnc(-c3ccccc3)c2)C1 599088957 UXVFMFGANIUXCD-RHSMWYFYSA-N 277.371 3.530 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1cc(C)cc(F)c1 744026847 ZDWNAFKGAQJXRO-UHFFFAOYSA-N 299.301 3.624 30 20 CHED C[C@H](OC(=O)[C@H]1CC12CCCC2)c1ccc(C#N)cc1 748676630 ALHAPZYCNTZBIY-SWLSCSKDSA-N 269.344 3.743 30 20 CHED CCCOc1ccc(COC(=O)CC(C)(C)C#N)c(C)c1 847916945 LJXVAJSZBNOVJF-UHFFFAOYSA-N 289.375 3.767 30 20 CHED C=CCCCC(=O)Nc1cnn(-c2ccccc2Cl)c1 748310895 URVQWCFKZLFPSB-UHFFFAOYSA-N 289.766 3.821 30 20 CHED CSc1ccc(CCCC(=O)O[C@H](C#N)C2CC2)cc1 842727649 OKMJIAJHENCXEA-OAHLLOKOSA-N 289.400 3.577 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C=C(/C)c1cccc(Cl)c1 749933829 LXCFORHCGVZEHC-QIENPNARSA-N 276.767 3.552 30 20 CHED C#CCCc1noc(Cc2cccc(OCC=C(C)C)c2)n1 842492561 WPWKPZAKCLXPOR-UHFFFAOYSA-N 296.370 3.571 30 20 CHED C#CC1CCN(C(=O)c2cc3ccc(C(C)C)cc3[nH]2)CC1 844049009 UXOJRRJLIVEXQK-UHFFFAOYSA-N 294.398 3.777 30 20 CHED COc1cc(SC)ccc1NCC1(CC#N)CC1 594708058 QRYDRYQZQSYSQW-UHFFFAOYSA-N 262.378 3.523 30 20 CHED CC[C@@H](C#N)C(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C 593742269 XLDFZFPAOXKFEO-STQMWFEESA-N 264.413 3.599 30 20 CHED C=C(C)CN(CC)C(=O)/C=C(\C)c1ccc(F)cc1 921278102 JPVDIOOKVYAIMP-JLHYYAGUSA-N 261.340 3.654 30 20 CHED CC(=NN=C1CCC[C@@H]1Cc1ccccc1)c1cnccn1 745202260 UEZWNAAEJDFRDA-MRXNPFEDSA-N 292.386 3.684 30 20 CHED CC(C)(C)c1ncc(C=Nn2cnc3ccccc32)s1 920372918 IAXUUCJOPRSMSH-UHFFFAOYSA-N 284.388 3.673 30 20 CHED CCn1cc(C(=O)/C=C\c2cc3cccc(OC)c3o2)cn1 920991943 SMHMMLDANCCYGR-FPLPWBNLSA-N 296.326 3.554 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 753428664 PEBQOJMCNGEBSO-CYBMUJFWSA-N 284.359 3.924 30 20 CHED C#Cc1cccnc1NCc1ccccc1CN(C)C(C)C 853163915 XINSIGUWDLOCOA-UHFFFAOYSA-N 293.414 3.515 30 20 CHED Clc1ccc(NN=C2CC[C@H]3CNc4cccc2c43)nc1 853435093 MCKCJAUYAUYFDD-JTQLQIEISA-N 298.777 3.854 30 20 CHED Cc1cc(CN(C2CC2)[C@H](C)C#N)c(O)c(C(C)(C)C)c1 853548954 VGXAMFJQGXEURQ-CYBMUJFWSA-N 286.419 3.875 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)OCC1(C#N)CCC1 924248783 CLFLIHKCCWFWSH-NSHDSACASA-N 293.363 3.543 30 20 CHED COc1cccc(O)c1/C=N\CCc1ccccc1Cl 921261909 WQNDIFNUNQWRGN-WQRHYEAKSA-N 289.762 3.716 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1cc(F)cc(F)c1O 757473860 QNPIMOBBTHXERE-UTCJRWHESA-N 278.229 3.706 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1 757468738 WENMWPZYHMCGQB-WEVVVXLNSA-N 298.338 3.783 30 20 CHED COC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 926438175 HYTNUPXNCUZRLC-SWLSCSKDSA-N 294.826 3.945 30 20 CHED Cc1ccc(C=NNc2cc(F)cc(F)c2)cc1[N+](=O)[O-] 920376817 USGPQOASCVLYQH-UHFFFAOYSA-N 291.257 3.627 30 20 CHED Cc1ccc(C#N)nc1NCCC[C@H]1CC1(Cl)Cl 853717110 UGTOOENMLBGWPH-JTQLQIEISA-N 284.190 3.648 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1cccc(O)c1 756831395 JEMVDTSWOOZQKC-UHFFFAOYSA-N 274.751 3.559 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccccc1 757768153 MJIAPJOBAZDKFO-RYQLBKOJSA-N 298.430 3.971 30 20 CHED COc1cc(F)cc(NN=Cc2cnc(C(C)C)s2)c1 759213265 XTIYWAIMKHKPIL-UHFFFAOYSA-N 293.367 3.860 30 20 CHED COc1c(CN[C@H](C)CC(C)(C)C#N)oc2ccccc12 926257597 BVYBUDAIRVXUQS-GFCCVEGCSA-N 286.375 3.859 30 20 CHED C[C@@H]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)[C@@H]1C 751905784 CGJSLPFUVLRGRA-NXEZZACHSA-N 293.823 3.639 30 20 CHED C=CCN(C(=O)Nc1cccc(-c2ccon2)c1)C(C)C 933796765 NXCBYBXIXJLXAZ-UHFFFAOYSA-N 285.347 3.770 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1ccc(F)cc1F)OCC 756470591 MFTINRVDKLYQCG-IAQYHMDHSA-N 298.329 3.940 30 20 CHED COc1cc(F)cc(NN=C(C)c2c(F)cccc2F)c1 759205259 CIJFWFVTMFIONX-UHFFFAOYSA-N 294.276 3.949 30 20 CHED CCC(=O)c1ccc(C(=O)OCc2cccc(C#N)c2)cc1 761509169 QTOKMMHBMFRLMO-UHFFFAOYSA-N 293.322 3.508 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(C#N)ccc1OC(F)F 931817417 SQFHTUMETYQQKL-SNVBAGLBSA-N 294.301 3.700 30 20 CHED CC#CCCCC(=O)OCc1ncc(-c2ccccc2C)o1 767669957 APHGSCWKUXHFEQ-UHFFFAOYSA-N 297.354 3.887 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@@](C)(C#N)CC(C)C 931302366 HVCPBAMJRODJQQ-WMLDXEAASA-N 272.392 3.543 30 20 CHED C#CCCc1noc(COc2c(Cl)cccc2Cl)n1 762017724 LGYNUXQSLIFARH-UHFFFAOYSA-N 297.141 3.521 30 20 CHED CC#CCCCC(=O)OCc1csc(C(C)(C)C)n1 767680469 NJHRHVVRUUFISN-UHFFFAOYSA-N 279.405 3.677 30 20 CHED C#CCOc1ccc([C@@H](C)NC2Cc3ccccc3C2)cc1 762775571 BFBPDGRBOUIEDE-OAHLLOKOSA-N 291.394 3.517 30 20 CHED COc1cc(C=NN2CCCC[C@H]2C)ccc1Cl 863126136 DYWDCSROOBWKTE-LLVKDONJSA-N 266.772 3.557 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)Cc2ccccc2CC#N)C1 862586519 ACMWXOFEEAPURU-UHFFFAOYSA-N 298.430 3.722 30 20 CHED C=CCCCOC(=O)Cc1ccc(F)cc1Cl 768071187 ZGRVTPGXWBBXTD-UHFFFAOYSA-N 256.704 3.531 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1nc2ccccc2n1CC 932206850 POGHDIWFKCMYID-KBPBESRZSA-N 299.418 3.836 30 20 CHED COc1cccc(/C=N\[C@@H](C)c2cccc(F)c2F)c1O 766672214 NXLYHYIHSOFEAZ-OVNPTBDBSA-N 291.297 3.859 30 20 CHED COc1ccc(NCc2cnc(C(C)C)s2)cc1C#N 865296009 PWSHOHBFZATPCA-UHFFFAOYSA-N 287.388 3.759 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C)CCc2ccco2)cc1 764609028 QNANFKONTDXCBV-HZPDHXFCSA-N 297.398 3.964 30 20 CHED Brc1cncc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)c1 762434324 NRTCYLBPHMZBHN-GARJFASQSA-N 294.196 3.678 30 20 CHED C#C[C@H](C)N(C)C(=O)/C=C/c1cccc(OC2CCCC2)c1 767244458 YHIQOFBPYVKWAX-LHNRBYRGSA-N 297.398 3.501 30 20 CHED C#CC[C@H](NCc1ccc(F)c(OC)c1)c1ccccc1 1116387190 CNXXTBUIGWHQEQ-KRWDZBQOSA-N 283.346 3.689 30 20 CHED CCCCNc1nnc(SCC2(C#N)CCC2)s1 1117756558 FVSCBBGHIDBMEM-UHFFFAOYSA-N 282.438 3.536 30 20 CHED C#CCCCCCCNc1cccc(NC(=O)N(C)C)c1 877570176 ISGQGXVVOUBJBE-UHFFFAOYSA-N 287.407 3.776 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)c(F)c(F)c1F 871270614 WWQYOYNBENHBBR-UHFFFAOYSA-N 275.245 3.784 30 20 CHED C#CCCCCCC(=O)O[C@@H](c1ccccn1)C(F)(F)F 779993885 RRHVEXUIYQEVAC-AWEZNQCLSA-N 299.292 3.812 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2csc(C#N)c2)C1 1117804413 NEUGVONZUNMYMV-GFCCVEGCSA-N 276.405 3.518 30 20 CHED CCC(=NN[C@@H](C)COC)c1ccc(Cl)c(Cl)c1 777893830 CIZZCPQLRDJNDY-VIFPVBQESA-N 289.206 3.732 30 20 CHED CC(C)(C#N)CCOC(=O)COc1cccc2ccccc12 776357128 LXVCRANXYCQFDO-UHFFFAOYSA-N 297.354 3.702 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1c(F)cccc1F 773647232 AAZNVZUAGZPNRB-LLVKDONJSA-N 266.287 3.763 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1 879852328 XWCWOUTVEDDWHR-JKSUJKDBSA-N 287.403 3.660 30 20 CHED CCc1ccccc1C(=O)OCc1ccc(OCC#N)cc1 770125509 SNRSQEYWCDIGLE-UHFFFAOYSA-N 295.338 3.508 30 20 CHED FC(F)COc1ccc(C=NOC2CCCC2)cc1 774596299 BSLFEAXMXVRPHN-UHFFFAOYSA-N 269.291 3.624 30 20 CHED N#C[C@H](OC(=O)c1ccc2cc[nH]c2c1)C1CCCCC1 776374915 XFMGOXFBAGETQZ-INIZCTEOSA-N 282.343 3.797 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1ccc(C#N)c(Cl)c1 779727586 OHRGHWIEXXETMS-KTKRTIGZSA-N 262.740 3.897 30 20 CHED CC(C)(C)OC(=O)NCCC=NNc1ccccc1Cl 771871903 MHBSNLWCXCYIQP-UHFFFAOYSA-N 297.786 3.653 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)CCCC(C)C 779710926 ICWDPBIMXKGZOT-HNNXBMFYSA-N 251.414 3.901 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@H](O)[C@@H](C)C1 779266284 YRLXZLGGIVSDNA-ULQDDVLXSA-N 297.483 3.993 30 20 CHED CC(C)CN(C(=O)C1(F)CCCC1)c1ccc(C#N)cc1 771970145 WMAXZVPIPGLYGI-UHFFFAOYSA-N 288.366 3.830 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1cc(F)cc(F)c1 773789804 YXIKOYABCROOQU-NSHDSACASA-N 266.287 3.763 30 20 CHED C#C[C@H](N[C@@H](C)c1ccc(SCC)cc1)[C@@H]1CCCO1 775572602 SLGOLDPLISBTNQ-JQFCIGGWSA-N 289.444 3.630 30 20 CHED C=C1CCC(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)CC1 889256519 YOVYSCYOJCAWMI-GFCCVEGCSA-N 277.330 3.826 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccccc1O 770511081 YYFIAIQBDLDRCJ-UHFFFAOYSA-N 267.372 3.623 30 20 CHED C[C@@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 1126637774 OFUCPKOVQWTYIJ-NQZOLGFYSA-N 283.371 3.989 30 20 CHED C=C(C)CCOC(=O)C1(Cc2ccc(F)cc2)CC1 783099277 SVUUYDAGGGLXHN-UHFFFAOYSA-N 262.324 3.658 30 20 CHED C=C1CCC(C(=O)N[C@](C)(C#N)CCc2ccccc2)CC1 889530934 HAIXUKWWJBTKNR-IBGZPJMESA-N 296.414 3.764 30 20 CHED C[C@H]1C[C@H](CCNc2nc3ccccc3cc2C#N)CCO1 784206705 RBCJVWCZNJIIJE-UONOGXRCSA-N 295.386 3.724 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](F)Cc1ccccc1 1120814162 XUKAYDFHWOQFPF-HOTGVXAUSA-N 275.367 3.524 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1F 782301405 LWPPFAHGYWOLJB-OQFOIZHKSA-N 286.302 3.826 30 20 CHED CC(=NN[C@H]1CCOC1)c1ccc(Oc2ccccc2)cc1 788455593 GWENQWWSXYMSIO-INIZCTEOSA-N 296.370 3.581 30 20 CHED CC(=NOC1CCCCC1)c1cnn(C(C)C)c1C 787162261 LVMSPNNPYLXBHF-UHFFFAOYSA-N 263.385 3.846 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1scnc1C1CC1 782285461 APZLIZIRSAFPNQ-ZDUSSCGKSA-N 277.437 3.913 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cnn(C(C)C)c1C 787158561 VGFYLRKUHPDTIO-UHFFFAOYSA-N 291.786 3.657 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C[C@H]2CCCC[C@H]2C)o1 783838367 ZAJQUNQYYYKORQ-CHWSQXEVSA-N 288.395 3.969 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1ccc2c(c1)COC2 899360353 JPJIPARPSODQAU-QPJJXVBHSA-N 294.354 3.534 30 20 CHED Cc1ncsc1C[S@@](=O)CCCCC1(C#N)CCC1 899408978 GOOAZRWYCVGMIW-IBGZPJMESA-N 296.461 3.564 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C)CC(C)(C)C#N 893421688 UHYQXKGFBPIFDG-LBPRGKRZSA-N 271.364 3.697 30 20 CHED CCc1nc(C)c(C(C)=NOC[C@@H](C)CC)s1 793159748 RFBXLAXOKGGOEJ-VIFPVBQESA-N 254.399 3.801 30 20 CHED Cc1cccnc1NN=Cc1cscc1Cl 790190203 HGEDRRXNAXBLEL-UHFFFAOYSA-N 251.742 3.551 30 20 CHED Cc1nsc(C)c1C(=O)O[C@@H](C)c1cccc(C#N)c1 795949649 ZWKBAUWMRYODBZ-JTQLQIEISA-N 286.356 3.550 30 20 CHED CC[C@@H](Nc1cc(C#N)ccn1)c1cc(F)ccc1OC 895877655 CUYJAWCHLDXVOZ-CQSZACIVSA-N 285.322 3.664 30 20 CHED C#CCSc1nnc(-c2cccs2)n1-c1ccccc1 790076180 CSBAVDNOUPRCLV-UHFFFAOYSA-N 297.408 3.721 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCC2(C)C)n1 1307116315 GXJMSYUQRBHMED-ZDUSSCGKSA-N 257.381 3.851 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1ccc(C)c(C#N)c1 799730313 ZWWRTRXJJYBIPI-UHFFFAOYSA-N 293.370 3.859 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccccc2C#N)cc1F 799499726 NPJVUGNVLBMOAW-VQHVLOKHSA-N 295.313 3.992 30 20 CHED Cc1ccc(CN(C)Cc2ccc(F)c(C#N)c2)cc1C 1205496847 VGUVXAUSEMFVKW-UHFFFAOYSA-N 282.362 3.946 30 20 CHED Cc1cccnc1NN=Cc1ccc([C@@H]2C[C@H]2C)o1 790193189 XNQBSTMGBSOVAN-DGCLKSJQSA-N 255.321 3.552 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)c1ncccc1F 791807817 RSFDGHVQPRCRAQ-LLVKDONJSA-N 263.312 3.593 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](C)c1ccc2ccccc2c1 791197039 BTFOPDDJZLNOQQ-KDOFPFPSSA-N 279.383 3.861 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@H]1CC12CCCC2 799444622 UMTKQLDPSCSLRX-AWEZNQCLSA-N 269.344 3.606 30 20 CHED CC(=NNc1cccc(F)c1)c1c(C)cc(C)cc1O 799877318 VTULSIPRARTONQ-UHFFFAOYSA-N 272.323 3.984 30 20 CHED Cc1cccc(Cl)c1OC(=O)c1ccc(F)c(C#N)c1 790533337 KHFRRBATRLQIDQ-UHFFFAOYSA-N 289.693 3.878 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNc1ccc(Cl)nn1 797398387 RTWRORZMAWBJMM-VHSXEESVSA-N 266.776 3.744 30 20 CHED Cc1c([C@@H](C)NCC2(CC#N)CC2)cnn1-c1ccccc1 797587615 WGTYLANLUYBBCH-CQSZACIVSA-N 294.402 3.525 30 20 CHED N#Cc1ccccc1COC(=O)Cc1coc2ccccc12 796932372 VBZFQWIZHFUKSJ-UHFFFAOYSA-N 291.306 3.590 30 20 CHED Cc1cccnc1NN=C[C@@H](OC(C)C)c1ccccc1 793052922 YYJGDXRWCFVVAN-MRXNPFEDSA-N 283.375 3.954 30 20 CHED CCC(CC)COC(=O)c1cc2ccccc2n1CC#N 798892075 IMZHRXYZOTZKJO-UHFFFAOYSA-N 284.359 3.758 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNCCC(=O)OC(C)(C)C 797403150 BSRBUGMZFGEWJW-CHWSQXEVSA-N 282.428 3.510 30 20 CHED N#Cc1ccccc1Oc1nc2cccc(F)c2o1 1306915057 KBXDGROGMAIWFY-UHFFFAOYSA-N 254.220 3.631 30 20 CHED N#Cc1nc(N2CC[C@H]2c2ccccc2)sc1Cl 1162195909 WXRRRLKUSOBKIS-NSHDSACASA-N 275.764 3.620 30 20 CHED CCc1cccc(C)c1NC(=O)CC#Cc1ccccc1 1319308788 XJTQCNDZEJGXPD-UHFFFAOYSA-N 277.367 3.938 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)[C@H]1C 1162717617 MWIPOEMIHALRQI-QWRGUYRKSA-N 285.778 3.995 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1320604456 YRYCWALPBPTQBO-WMLDXEAASA-N 289.423 3.560 30 20 CHED CC1CC(C#N)(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)C1 1329543660 WZPNGWJUJGWXJX-DBQDNQAGSA-N 282.387 3.536 30 20 CHED Cc1coc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1C 1321904675 KQNNKDWCYUIAAL-HNNXBMFYSA-N 282.343 3.671 30 20 CHED CN(Cc1ccc(O)cc1)c1cc(Cl)ccc1C#N 302671511 RRJWCJMFOGJTIN-UHFFFAOYSA-N 272.735 3.554 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(F)c1 686496231 IDXJTVOVLNRNGH-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED C[C@H]1CCc2sc(-c3nnc(C4(C#N)CCC4)o3)cc2C1 1326510595 FTXVCMDHRJSENS-JTQLQIEISA-N 299.399 3.868 30 20 CHED C[C@H](CC1CCCCC1)Nc1cccc(CC#N)n1 1320883792 SFMAOLVIJYKTSN-CYBMUJFWSA-N 257.381 3.918 30 20 CHED C=CCC(F)(F)c1nnc(COc2ccc(C)c(C)c2)o1 1329282868 DMRCFHWLSSSOPI-UHFFFAOYSA-N 294.301 3.933 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)cs1 1324613445 XKQMFHUAQBWIPE-AWEZNQCLSA-N 296.395 3.640 30 20 CHED C=CCCCCN(C)Cc1nccn1Cc1ccccc1 570913956 IABXDKRGYZILAO-UHFFFAOYSA-N 283.419 3.720 30 20 CHED CC[C@@H]1CCC[C@@H](NCc2ccc(OCC#N)cc2)C1 68592126 LNBGZJWWJYEBDP-GDBMZVCRSA-N 272.392 3.647 30 20 CHED CCc1onc(C)c1CNc1cccc(OCCCC#N)c1 1333694799 MZKWOZSVHJJVKZ-UHFFFAOYSA-N 299.374 3.840 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(C)nc(C)c2)C(C)C)c1 1338403906 OMVVZTRYGZHOQR-UHFFFAOYSA-N 292.382 3.735 30 20 CHED C[C@H](CNCc1cccc(OCC#N)c1)c1ccc(F)cc1 1338642312 XBZNXJWXKHHXET-CQSZACIVSA-N 298.361 3.621 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2cccc(F)n2)ccc1Cl 1342638239 UETAXMMTSSTNAP-LLVKDONJSA-N 288.709 3.673 30 20 CHED CCc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1CC 1343752780 OROLDBHXBFGBEC-QGZVFWFLSA-N 298.430 3.966 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NCCC1CC(F)(F)C1 1340181814 KCOSRIBLEVASBL-CYBMUJFWSA-N 286.366 3.562 30 20 CHED Cc1cc(C(=O)O[C@H]2CC[C@H](C#N)C2)c(C)cc1Cl 1342679580 FDBMTXKDQDNHFD-RYUDHWBXSA-N 277.751 3.806 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc2cnccc12 1349866003 XZCGETQTEPFHTK-HNNXBMFYSA-N 280.371 3.806 30 20 CHED Cc1cc(Cl)c(NC(=O)c2ncc(C#N)cc2C)cc1C 1273506043 LIUZWIHUNPLENQ-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1ccc(C#N)cc1F 1357871868 NLHNDZAPRPVSGQ-UHFFFAOYSA-N 298.317 3.657 30 20 CHED C=C(C)CNC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 156490496 RSMUOPXYQWJKGN-UHFFFAOYSA-N 287.190 3.711 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2ccc(C#N)s2)C1 1436615753 OLGBXWJAGJQYMW-JTQLQIEISA-N 263.362 3.745 30 20 CHED CSCc1cccc(NC(=O)c2cc(C#N)ccc2C)c1 1360042591 ZILIIOCKMMELBR-UHFFFAOYSA-N 296.395 3.982 30 20 CHED CC[C@@H](CC(C)C)C(=O)O[C@@H](CC#N)c1ccco1 1520425538 WNLZQCSRRUVCCX-JSGCOSHPSA-N 263.337 3.850 30 20 CHED CCOC(=O)[C@@H](CC(C)C)Sc1ccc(C#N)c(C)c1 1459144654 YYDUXVAMYFMOPQ-OAHLLOKOSA-N 291.416 3.937 30 20 CHED CO[C@@H](c1ccccc1)[C@@H](C)Nc1cc(F)cc(C#N)c1 1462501331 CRQAWNLNQLFTRP-SJKOYZFVSA-N 284.334 3.885 30 20 CHED CCc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H](C#N)C1)CCO2 1462051392 OAANBUJKMAXGFK-ZMSDIMECSA-N 284.403 3.745 30 20 CHED N#CCCCCC(=O)Nc1ccc(C(=O)O)c2ccccc12 1608180150 IBANQIFVLHFZKX-UHFFFAOYSA-N 296.326 3.560 30 20 CHED Cc1cc(CN2CC3(CCCCC3)C2)ccc1C#N 1462315606 KXMKXZZCYLYZBJ-UHFFFAOYSA-N 254.377 3.633 30 20 CHED C=C(CNC(=O)NCc1cc(C)cc(C)c1)c1ccccc1 1478772044 NLLYQCWBRIHWRH-UHFFFAOYSA-N 294.398 3.816 30 20 CHED CC[C@@H](Nc1snc(Cl)c1C#N)[C@@H]1CC1(C)C 1472809215 MAWLHHASWJDJJN-DTWKUNHWSA-N 269.801 3.905 30 20 CHED Cc1c([C@@H](O)C2CCC2)ccc(C#N)c1C(F)(F)F 725326731 QZXDGKXVJBUBKN-ZDUSSCGKSA-N 269.266 3.719 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)nc1 104208147 LKDAITKAQFNCRN-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H]1CCCC(F)(F)C1 926361844 PLFIHIORXSIPIY-RYUDHWBXSA-N 258.356 3.730 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccc(C#N)cc1 1622712230 XHLZPGLPXQUCDL-GXTWGEPZSA-N 271.364 3.504 30 20 CHED N#Cc1ccc(NCC2(c3cccc(F)c3)CCC2)nc1 1559274608 CVMGWFWQAFFODK-UHFFFAOYSA-N 281.334 3.626 30 20 CHED CC[C@H](C)CSc1nc2c(c(C)c1C#N)CCC2 1656127045 DWTLBEWXXRSCQW-JTQLQIEISA-N 260.406 3.889 30 20 CHED CC(=NNc1cccc(F)c1C(=O)O)c1cc(C)oc1C 1589017463 RISDMUHJTXXMDW-UHFFFAOYSA-N 290.294 3.570 30 20 CHED C[C@H]1CCC[C@H]1CNc1ncc(C#N)cc1Br 1651785205 XLNLTZTVTBXBQL-ONGXEEELSA-N 294.196 3.564 30 20 CHED C=CCCCCCN[C@@](CC)(C(=O)O)c1ccccc1 1588799821 KKQNTNVODSBAEN-QGZVFWFLSA-N 275.392 3.713 30 20 CHED CCCCCCCN[C@](CC)(C(=O)O)c1ccccc1 1595704350 HIFLHXSTZATLOZ-KRWDZBQOSA-N 277.408 3.937 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Nc2ccc(C#N)c(F)c2)c1 1670710214 QPTQQTXMNXQWGM-UHFFFAOYSA-N 297.333 3.983 30 20 CHED C=C(C)CCCC(=O)Nc1cccc2c(C(=O)O)nccc12 1776138381 YNPIHDIEORFGOX-UHFFFAOYSA-N 298.342 3.618 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2cc(C#N)ccn2)CC1 1641781720 NJGQVQIBOSUHQY-OAHLLOKOSA-N 271.408 3.601 30 20 CHED CC[C@@H](C)[C@H]1CCC(=NNc2ccccc2C(=O)O)C1 1776030620 XPVCCSJEPMSVDV-NEPJUHHUSA-N 274.364 3.999 30 20 CHED O=C(O)c1ccc(NN=C2CCC(C3CCC3)CC2)cn1 1776071492 BWZQRFSCRLWMRC-UHFFFAOYSA-N 287.363 3.538 30 20 CHED O=C(O)c1ccc(NN=C2CCCc3ccccc3C2)cc1 1776012710 LJOPOPJBRAXUPJ-UHFFFAOYSA-N 294.354 3.732 30 20 CHED C=CCC[C@H](C)N1CC[C@@H]2C[C@@H](CC(=O)O)CC[C@@H]2C1 1776166158 OXWPHQLDCQHISP-CAOSSQGBSA-N 279.424 3.554 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@@H](C)c2cccc(Cl)c2)C1 1776157545 ZZELLIBULHJMFY-BLLLJJGKSA-N 293.794 3.754 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1ccc2c(c1)CCO2 14202521 QSEKFPNRSDMHTN-XVNBXDOJSA-N 268.287 3.657 30 20 CHED C[C@@H](CC1CCOCC1)Nc1ccccc1O[C@H](C)C#N 162270295 TZODPRVKOIQDJU-UONOGXRCSA-N 288.391 3.595 30 20 CHED CCCCCCCC(=O)N1C[C@@H](C)Oc2ncccc21 158659556 YJDLNMPPXDUNHY-CYBMUJFWSA-N 276.380 3.556 30 20 CHED CCc1ccc(CC(=O)N(CCC#N)CCC(C)C)cc1 163831750 QAUPIIBEMHHQHO-UHFFFAOYSA-N 286.419 3.580 30 20 CHED CN(Cc1ccoc1)c1cccc(Br)c1C#N 168486857 KDHYQPVMMUMECR-UHFFFAOYSA-N 291.148 3.550 30 20 CHED C=CCCC(=O)N1CCC(C)(c2ccccc2)CC1 151653326 JHGUZGRLVUNAGK-UHFFFAOYSA-N 257.377 3.533 30 20 CHED C=CCCSCC(=O)N[C@H](c1ccccc1)C(C)C 151987205 DWTRHLSJTLIMMD-INIZCTEOSA-N 277.433 3.809 30 20 CHED C#CCCCCNC(=O)CCc1ccc(C(C)C)cc1 156131792 WDCZSHKGCCAHIN-UHFFFAOYSA-N 271.404 3.662 30 20 CHED CC[C@H](CC(=O)N[C@](C)(C#N)C(C)C)c1ccc(C)cc1 157901643 KFFRRUOLBCVXTM-CRAIPNDOSA-N 286.419 3.933 30 20 CHED CC(C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 154284589 GLAIOCBEWPOGDF-UHFFFAOYSA-N 250.367 3.512 30 20 CHED C=CCC[C@H](NCC(=O)Nc1ccccc1)c1ccccc1 159943053 GSWAGNYCOFHOMG-SFHVURJKSA-N 294.398 3.922 30 20 CHED CCCCCCCCCC(=O)N1CCC(CNC)CC1 115859222 YSWDFZIJGLUPNP-UHFFFAOYSA-N 282.472 3.585 30 20 CHED N#Cc1cc(NC(=O)CCc2ccccc2)ccc1Cl 122077123 MEUNIMHCVYPXKP-UHFFFAOYSA-N 284.746 3.783 30 20 CHED N#Cc1ccc(Cl)cc1OC[C@H](O)CC1CCCC1 232135834 NPWBVXHWZSAWDT-CQSZACIVSA-N 279.767 3.532 30 20 CHED COc1ccc(C#N)cc1CSc1ccccc1F 129261573 FMFGMYUIXLJKEP-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CC(C)c1nc(C(=O)Nc2ccc(CC#N)cc2)cs1 171424397 VREBNUHZFHRGFI-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)nc1Cl 182494785 NMVVELJQEXHLJU-SECBINFHSA-N 287.190 3.863 30 20 CHED CCc1cc(N[C@@H](C)c2ccc(C#N)cc2)ccn1 307767331 HSINLSMKJAGHDM-LBPRGKRZSA-N 251.333 3.689 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@H](C#N)C1CCCCC1 308082316 AJAYNSVTAIQDFR-UKRRQHHQSA-N 264.413 3.647 30 20 CHED CC[C@H](Nc1ccc(C#N)c(C)n1)c1cccs1 311222431 VKTPBBSUORZZQH-LBPRGKRZSA-N 257.362 3.886 30 20 CHED C#CCCCOc1ccc(Br)c(Cl)c1 313531961 GDYJYIRUVCIDJW-UHFFFAOYSA-N 273.557 3.895 30 20 CHED C=CCC[C@H](CO)N[C@H]1CCSc2ccc(Cl)cc21 320335407 BVVUNUNAZLILAM-OCCSQVGLSA-N 297.851 3.794 30 20 CHED C[C@@H](N[C@@H](C1CCC1)C1CC1)c1cccc(C#N)c1 325062173 SUVHFZRBLGXXML-PXAZEXFGSA-N 254.377 3.788 30 20 CHED C=C(C)CSCc1ncc(Br)s1 336634720 YQBVJQVINMAIFU-UHFFFAOYSA-N 264.213 3.715 30 20 CHED Cc1ccnc(N[C@H](C)CCOCc2ccccc2)c1C#N 340981449 BCHITMWLPZQTGO-OAHLLOKOSA-N 295.386 3.669 30 20 CHED CC1CC(C#N)(C(=O)N2CCC(C)(C)CC(C)(C)C2)C1 598188987 XWANLFXVBYQOIY-UHFFFAOYSA-N 276.424 3.601 30 20 CHED C[C@H](C#N)Sc1nc2c(n1-c1ccccc1)CCCC2 5184084 QQULBTCQIGGUBG-GFCCVEGCSA-N 283.400 3.755 30 20 CHED N#Cc1cccc(CN2CCCc3cccc(F)c32)c1 22846416 BOOXRNMOYYZCKF-UHFFFAOYSA-N 266.319 3.650 30 20 CHED CC(C)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23444533 DVLFJTWFTALZMH-UHFFFAOYSA-N 279.339 3.924 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1ccccc1F 42336072 BLNPXFYFEARZBW-NSHDSACASA-N 272.298 3.687 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccco1 45404666 NNOVZGAUDCWLIZ-UHFFFAOYSA-N 296.370 3.523 30 20 CHED CCCc1ccc(NC(=O)C(C#N)(CC)CC)cc1 49932857 ICBRDDPWVCGLHA-UHFFFAOYSA-N 258.365 3.908 30 20 CHED CCc1ccc(CNc2ccc(OCC#N)cc2)s1 51717248 CWOWSMKKOWHZGB-UHFFFAOYSA-N 272.373 3.825 30 20 CHED N#Cc1c(Cl)cccc1NCc1ccc(C(=O)O)cc1 52903060 NPGXLDOISZZGFD-UHFFFAOYSA-N 286.718 3.522 30 20 CHED N#Cc1cccc(NC(=O)c2c[nH]cc2-c2ccccc2)c1 53083969 CULGBZFBPGJWHV-UHFFFAOYSA-N 287.322 3.806 30 20 CHED CCCCN(C)C(=O)Nc1cc(C#N)ccc1OC(C)C 54538218 LWYKBSNBFPAXLT-UHFFFAOYSA-N 289.379 3.609 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)C1(C#N)CCCCC1 57398366 XSCKCWYYUOONRK-MRXNPFEDSA-N 282.387 3.573 30 20 CHED C=C(C)CN(CC)S(=O)(=O)c1ccc([C@H](C)CC)cc1 57429259 SZWNYDDSTAMSOM-CQSZACIVSA-N 295.448 3.787 30 20 CHED N#CCCCN[C@@H](Cc1ccccc1)c1ccccc1 57620327 KCSBIXHGHYLURK-SFHVURJKSA-N 264.372 3.864 30 20 CHED C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(C#N)CC1 57872112 NCTOOJPOMCICEM-NSHDSACASA-N 298.308 3.882 30 20 CHED C=C(C)CNC(=S)N(Cc1ccc(C)s1)C(C)C 63795067 KGSXDUUWNMCUES-UHFFFAOYSA-N 282.478 3.718 30 20 CHED C#CCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 65994437 XEASFZDXRBKNOD-UHFFFAOYSA-N 299.201 3.547 30 20 CHED C=CCCC(=O)NC(C)(C)Cc1ccccc1Cl 78483551 NWEOEMZYNDJZAH-UHFFFAOYSA-N 265.784 3.744 30 20 CHED CC[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 83640149 JTNYVWMQXANBPD-AAEUAGOBSA-N 273.336 3.847 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)c1ccc2ccccc2c1 84709954 IEUQFICSWSDRMP-BLLLJJGKSA-N 267.328 3.789 30 20 CHED COc1ccc(CN(C)[C@@H](C)c2cccs2)cc1C#N 87833266 HTUXCZZTVHYAMN-LBPRGKRZSA-N 286.400 3.821 30 20 CHED N#Cc1cc(F)c(N2CCc3cc(F)ccc3C2)c(F)c1 91671842 JCHXILPKHSRTJQ-UHFFFAOYSA-N 288.272 3.538 30 20 CHED Cc1ccc(CN(CCC#N)Cc2ccccn2)c(C)c1 93100542 FRLCEMUIKFRXDP-UHFFFAOYSA-N 279.387 3.614 30 20 CHED CCOc1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1 98008537 ZMJDRRBNJIWLNZ-KTKRTIGZSA-N 297.310 3.890 30 20 CHED C[C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 108886734 FVSIABFAMYRGKH-NEPJUHHUSA-N 273.336 3.705 30 20 CHED C/C(=C/C(=O)Nc1ccc(C#N)cn1)c1ccccc1Cl 110286760 KYAGFCIJKLTMRC-FLIBITNWSA-N 297.745 3.649 30 20 CHED CC(C)CN(Cc1cccc(C#N)c1)C1CCCC1 110364153 BFMORJXRVAGHHI-UHFFFAOYSA-N 256.393 3.959 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1ccc(C#N)c(Cl)c1 110484426 GGIXIGHISLCMFV-GXFFZTMASA-N 264.756 3.581 30 20 CHED Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C#N)cc1)CCC2 111311206 JQAGMXJUMZWTBS-INIZCTEOSA-N 297.427 3.833 30 20 CHED COc1ccc([C@H](C)Nc2ccc(C#N)cc2F)cc1 112012607 BNCGCDMHXXJWDW-NSHDSACASA-N 270.307 3.879 30 20 CHED C[C@H](NC(=O)c1coc2ccccc12)c1ccc(C#N)cc1 113023308 ZFKBIVHLRODDRF-LBPRGKRZSA-N 290.322 3.795 30 20 CHED CC1(CNc2c(F)cc(C#N)cc2F)CCCC1 113616092 OFRJDNMTCJPAHO-UHFFFAOYSA-N 250.292 3.829 30 20 CHED N#Cc1cccc(NC(=O)C[C@@H]2CCc3ccccc32)c1 115203051 UWFJGUATBROWAR-HNNXBMFYSA-N 276.339 3.617 30 20 CHED C=CCCC(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 118299640 RXQNURVOERECHY-CJNGLKHVSA-N 275.417 3.658 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCc2cccc(O)c2)c1 122032040 WXWQRKPLTNSSPZ-UHFFFAOYSA-N 292.260 3.895 30 20 CHED CCCCN1Cc2cccc(N[C@H](C#N)CC)c2C1 122228478 VKDSLPPGATXMQP-AWEZNQCLSA-N 257.381 3.516 30 20 CHED N#Cc1ccc(F)cc1COc1cccc(F)c1F 122505610 SLBMMHNQKFNFDL-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC(C)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)cn1 122593863 MTUDXJPUGCZOFZ-UHFFFAOYSA-N 287.407 3.607 30 20 CHED C=C(C)CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 123078676 XDKFKQKJIBLWPZ-JTQLQIEISA-N 269.797 3.513 30 20 CHED C=C[C@@H](CC(=O)NC[C@]1(C)CCCS1)c1ccccc1 127529440 DPOQYONWGKMVGZ-YOEHRIQHSA-N 289.444 3.748 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(C(C)(C)C)s1 132226766 AVYDVCQIWRHDRQ-LLVKDONJSA-N 278.421 3.667 30 20 CHED C=C(Cl)CNC(=O)c1cc2cc(F)ccc2s1 134808853 WSSCVTSIFWHJRS-UHFFFAOYSA-N 269.728 3.523 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(-c2ncco2)c1 152291813 STCIYZIMSCRNPY-UHFFFAOYSA-N 283.331 3.548 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCCCC(C)(C)C)cc1 152742566 LNFSLNAYABXBBF-AWEZNQCLSA-N 274.408 3.893 30 20 CHED CCCCCCCCCOC(=O)c1ccc(N)cn1 156942418 JXWSAHSSTUMSJW-UHFFFAOYSA-N 264.369 3.571 30 20 CHED CN(CCOc1cccc(Cl)c1)CCC(C)(C)C#N 157473257 UMDAXGCQLIWHDO-UHFFFAOYSA-N 280.799 3.590 30 20 CHED C=CCC[C@@H](N[C@@H](C)CCn1cccn1)c1ccccc1 159125348 VIDQWDQEEKCXNO-FUHWJXTLSA-N 283.419 3.959 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](c1ccccn1)C(F)(F)F 160187591 JIQQMDUDCMQDLR-ZDUSSCGKSA-N 299.292 3.997 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 161041979 IKAJBXYRDMJEEL-QWRGUYRKSA-N 284.186 3.789 30 20 CHED C=C(C)CNC(=O)[C@H](SCc1ccccc1)C(C)C 161282819 DZKLSVXIMHGRJR-OAHLLOKOSA-N 277.433 3.637 30 20 CHED C[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl 162590854 AQTCXEMMPQVJCS-IAQYHMDHSA-N 262.784 3.880 30 20 CHED CC(C)(NCc1ccccc1C#N)c1cccc(F)c1 162809832 VXEJNVVGDLPJPS-UHFFFAOYSA-N 268.335 3.722 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)nn1)c1ccc(C#N)cc1 164636025 KPPRJDVAMNULCC-SECBINFHSA-N 292.264 3.540 30 20 CHED C=C(Cl)CN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21 168836988 VAKNEAQFRISTPH-KOLCDFICSA-N 251.757 3.591 30 20 CHED CC[C@@H](C)Oc1ccccc1/C=C/C(=O)OCCCC#N 171488225 NCJHEODMLZIIAB-PLSXKVAHSA-N 287.359 3.724 30 20 CHED CCC[C@@H](C)CC(=O)N[C@H](C#N)c1ccccc1Cl 172025410 ORYAAJDMEUANGH-BXUZGUMPSA-N 278.783 3.847 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 172801537 SRAZBKVJNCHHFF-TZMCWYRMSA-N 286.375 3.722 30 20 CHED CCN(C(=O)c1ccccc1Cl)c1ccc(C#N)cc1 174079414 AREBIGGSRZXNQI-UHFFFAOYSA-N 284.746 3.878 30 20 CHED C=CCCCC(=O)NCc1ccc2cc(OC)ccc2c1 175172925 IASKORTWLJWSIL-UHFFFAOYSA-N 283.371 3.821 30 20 CHED C=CCCCC(=O)N1CCCc2cc(OC(F)F)ccc21 177758287 ASWHIJLZUPELSI-UHFFFAOYSA-N 295.329 3.924 30 20 CHED C=CCC[C@@H](NC(=O)C1=CCCCO1)c1ccccc1 178879257 LTTCGWBGGZKUPV-OAHLLOKOSA-N 271.360 3.504 30 20 CHED CCC[C@@H](C(=O)N(CC#N)c1ccccc1)C(C)C 179274254 XTWWQYFMDNRKQY-OAHLLOKOSA-N 258.365 3.615 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(OCCF)c1 179684750 HJOMFQCBTGTYED-ZDUSSCGKSA-N 294.370 3.901 30 20 CHED CCCCCSCC(=O)N(CCC#N)c1ccccc1 180729422 LQEFZZPKAYHFCJ-UHFFFAOYSA-N 290.432 3.857 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1-n1nc(C)cc1C 181555877 FVPGUNDPILITMN-UHFFFAOYSA-N 298.390 3.529 30 20 CHED C=CCCC[C@H](C)NC(=O)CSc1cccc(OC)c1 182643515 WBTCQZIYDBOQDQ-ZDUSSCGKSA-N 293.432 3.648 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(F)c(SC)c(F)c1 184370568 YXGMTFMBPQMEHW-QMMMGPOBSA-N 286.347 3.773 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2ccc(C(F)(F)F)cc2)C1 185753477 LZPQSUXZKLZSLG-HIFRSBDPSA-N 296.336 3.920 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cccc(OCC(F)F)c2)C1 185822999 KXKRLNWKPVUCPV-OCCSQVGLSA-N 294.345 3.502 30 20 CHED CN(CCCC(C)(C)C#N)CC1(c2ccccc2)CC1 189326248 OWBRLJLYTMBJBQ-UHFFFAOYSA-N 270.420 3.980 30 20 CHED C#CCCCCC(=O)N1CCc2c(cccc2C(C)C)C1 190669736 FAGAZRNYNZXAOS-UHFFFAOYSA-N 283.415 3.888 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OCC)c(F)c1 190848439 UYRVFSGLTNWXQP-HNNXBMFYSA-N 265.328 3.765 30 20 CHED COc1ccc([C@H](C)N(C)Cc2ccc(C#N)c(F)c2)cc1 191865534 VJJDKLVHXZQILK-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED Cc1ccc(N/C(N)=N/[C@@H]2C[C@H]2c2ccc(F)cc2)cc1C 193302645 CPVQNUBVBQKONW-DLBZAZTESA-N 297.377 3.725 30 20 CHED COCCOc1ccc(C(=O)/C=C\c2cccc(C)c2)cc1 206987710 MKXZMMUKGYZSCB-WDZFZDKYSA-N 296.366 3.916 30 20 CHED Cc1c(CNc2cccc(C#N)c2)n(C)c2ccccc12 227516681 RTWVBWDWOSEOAF-UHFFFAOYSA-N 275.355 3.971 30 20 CHED C=CCc1cc(CNCC(C)(C)C)cc(OC)c1OC 237133788 ZXDUUPYZYACCNC-UHFFFAOYSA-N 277.408 3.568 30 20 CHED C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)[C@H]1C 252513003 HWWLJBNQJMKVRW-UWVGGRQHSA-N 283.297 3.597 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)O[C@H](C#N)C(C)C 255336616 DHEJJNQFVIFQQT-KOTGUFOOSA-N 277.751 3.835 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)s2)c(OC)c1 255516544 ONMHRMCRPOGSDZ-VURMDHGXSA-N 299.351 3.533 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCc1cscn1 255526782 FZHRFPLZZHBGHD-MFOYZWKCSA-N 282.368 3.664 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 267369242 XVZCSPBCTIKODL-UHFFFAOYSA-N 299.399 3.606 30 20 CHED C#CC[C@@H](NCc1sccc1C)c1ccccc1 270152275 DEKGHOFNKONBSX-OAHLLOKOSA-N 255.386 3.911 30 20 CHED COc1ccc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 271952193 ROYNGYWEQIOHLI-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED CC(C)(C)c1nn(-c2ccccc2)cc1CNCCCC#N 273003842 ARHTZWYWRRXWSL-UHFFFAOYSA-N 296.418 3.563 30 20 CHED CC(C)Sc1ccccc1NC(=O)NCCCC#N 273172856 DBKNGWCAJWYXLS-UHFFFAOYSA-N 277.393 3.612 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCC[C@@H](C)O)cc1 278830549 OVPRIXCMXSXATM-ZIAGYGMSSA-N 297.826 3.630 30 20 CHED CC[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(F)cc1F 278831186 VBPXOUMSMOVRAA-CYBMUJFWSA-N 281.302 3.899 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(OCC#N)cc1 281660645 QETAOWCGVWFPHN-HIFRSBDPSA-N 258.365 3.594 30 20 CHED COc1ccc(C)cc1[C@H](C)NCC1CCC(C#N)CC1 282133206 BMVPFYHLODLEHY-FHERZECASA-N 286.419 3.984 30 20 CHED CC#CC(=O)Nc1ccc(S[C@@H](C)CC)cc1C 283099765 GMGFTQMDVGZYCM-LBPRGKRZSA-N 261.390 3.847 30 20 CHED CC[C@](C)(C#N)C(=O)NCCCCc1ccc(Cl)s1 285762042 RDXMZXUBFUXJIT-CQSZACIVSA-N 298.839 3.780 30 20 CHED CCC(CC)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 288853480 AJSHZQFPAHYUOD-HNNXBMFYSA-N 294.358 3.695 30 20 CHED N#C[C@@H](Sc1nc(O)cc(C(F)F)n1)C1CCCCC1 289317945 DIWWOQXMOCFBOD-SNVBAGLBSA-N 299.346 3.684 30 20 CHED CC1(C)CN(c2ccc(Cl)c(C#N)n2)[C@@H]1c1cccnc1 291987222 XQCQVOMYQWRWOB-OAHLLOKOSA-N 298.777 3.589 30 20 CHED CC1(C)CN(Cc2ccc(OCC#N)cc2)[C@@H]2CCC[C@@H]21 293030045 LEYBZOPTVPXAFR-DLBZAZTESA-N 284.403 3.599 30 20 CHED CN(Cc1cc(Br)cs1)[C@@H]1CC[C@@H](C#N)C1 293601898 VCLRVWMKNCVEFL-MWLCHTKSSA-N 299.237 3.635 30 20 CHED N#C[C@H]1CC[C@@H](SCc2c(F)cccc2F)C1 295340092 MYMQKNCTRYDPJD-VHSXEESVSA-N 253.317 3.890 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2cccc(Cl)c2)cn1 301497676 CZIURARAKCKYQZ-INIZCTEOSA-N 283.762 3.948 30 20 CHED CCC(CC)[C@H]1C[C@@H](Nc2ccc(C#N)cc2)CCO1 302020671 DQFVCPSEHUHHNF-DLBZAZTESA-N 272.392 3.954 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CCOC2(CCCCC2)C1 302907640 XRLQHEIJNPTBPE-INIZCTEOSA-N 295.386 3.724 30 20 CHED N#Cc1cc(Cl)ccc1NCCOc1cccc(F)c1 303204352 MRFZKFKHURLLSA-UHFFFAOYSA-N 290.725 3.842 30 20 CHED N#Cc1ccc(N2CCC3(CCC3)CC2)cc1Cl 308722722 FPKIEJAXJQXGFP-UHFFFAOYSA-N 260.768 3.982 30 20 CHED CC[C@H](C)[C@](C)(O)C/N=C(/O)c1cc(C(C)C)oc1C 330605070 HJLWUCNWTSPXNZ-MEDUHNTESA-N 281.396 3.813 30 20 CHED Cc1ocnc1C/N=C(/O)N(CC(C)(C)C)CC(C)(C)C 330712328 VRJMTLGAZIHWGZ-UHFFFAOYSA-N 295.427 3.791 30 20 CHED CC(C)C[C@H](C)n1nccc1N/C(O)=N/[C@@H]1CC=CCC1 331153241 XTZOSBKBPZREPN-UONOGXRCSA-N 290.411 3.925 30 20 CHED C=C(C)C(C)(C)c1nc(C2CCSCC2)no1 335251411 UNFBKIOTMDQBBM-UHFFFAOYSA-N 252.383 3.534 30 20 CHED C[C@@H](C(=O)N1CCC(CC#N)CC1)c1ccc(Cl)s1 336357518 MMRYQWJMVYQNEQ-SNVBAGLBSA-N 296.823 3.657 30 20 CHED Cc1cc(CNCc2c(F)cc(F)cc2F)ccc1C#N 339524446 SLYVMVQSCGHTDF-UHFFFAOYSA-N 290.288 3.574 30 20 CHED CCOC1CC(N(C)c2ccc(C(F)(F)F)cc2C#N)C1 340980191 ULMAFIVIMQXKGW-UHFFFAOYSA-N 298.308 3.581 30 20 CHED CC#CCN(C)C(=O)c1c(-c2ccccc2)oc(C)c1C 341051639 RNUJBUMFFIWVRJ-UHFFFAOYSA-N 281.355 3.659 30 20 CHED C=CCC[C@H](O)CN[C@H](CC(F)(F)F)c1ccccc1 341571950 IQCBUIARECZIFX-UONOGXRCSA-N 287.325 3.597 30 20 CHED C=CCOc1ccc(C(=O)N(C2CC2)[C@@H](C)C(C)C)cc1 341875801 DAHBEYUOFPDNLK-AWEZNQCLSA-N 287.403 3.901 30 20 CHED Cc1nc(C)c(C#N)c(SCC2CCCCC2)n1 342959385 HPESHHYLIFWAQT-UHFFFAOYSA-N 261.394 3.638 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(CC#N)cc1 343763666 LWAQTJSHNAGHMS-GOSISDBHSA-N 279.387 3.731 30 20 CHED N#C[C@@H](NC(=O)CCC1CC1)c1cccc(C(F)(F)F)c1 349517856 LYORXCDHLDIWIO-CYBMUJFWSA-N 296.292 3.576 30 20 CHED CSc1ccc(CNCc2cccc(C#N)c2)s1 352836223 SKIDKERLWHDJNV-UHFFFAOYSA-N 274.414 3.631 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(-c2ccccn2)cc1 353963396 OZSGSIBYCODEBH-CQSZACIVSA-N 294.358 3.562 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 355658638 RABZDMWHNKSZPW-PBFPGSCMSA-N 288.366 3.518 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NCC(C)(C)CCC#N 355826736 DMLHELUNBDPNMG-ILXRZTDVSA-N 293.455 3.688 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C2CC2)c(C)c1 360824345 YVEUPGYALWGWMD-LBPRGKRZSA-N 258.365 3.959 30 20 CHED C=CCCC(=O)Nc1cc(-c2ccncc2)ccc1C 363197800 UJXHCNZTLRLHFC-UHFFFAOYSA-N 266.344 3.962 30 20 CHED C=C(Br)CNC[C@H]1CCC[C@@H](CC)C1 394609773 IQPSZUIQEAKPKD-NEPJUHHUSA-N 260.219 3.701 30 20 CHED Cc1cc(F)ccc1NCc1ccc(CC#N)cc1 398960166 LUYXGHWJKSSGCG-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C=CC[C@H]1N(C(=O)c2cc3cccnc3[nH]2)CCCC1(C)C 412291521 LATVDQAIWZIOPF-OAHLLOKOSA-N 297.402 3.770 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(OC)c(Cl)c1 412800624 VRMQDJVYTKIMQI-MRXNPFEDSA-N 295.810 3.909 30 20 CHED CC(C)COc1ccccc1CNc1ncc(C#N)cc1F 413075738 UNWXEBWQSXDSBS-UHFFFAOYSA-N 299.349 3.739 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](c2ccccc2)C1(C)C 421724085 ZIICBESWHSQJFO-KRWDZBQOSA-N 283.415 3.975 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(c2cccc(C#N)n2)C1 425287689 WHCYAQDREKWAJN-INIZCTEOSA-N 277.371 3.931 30 20 CHED CC[C@@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 425935802 JYBPLAGWOWJEFO-GDAAHCPNSA-N 298.430 3.540 30 20 CHED C=C(C)CNC(=O)c1sc(C2CC2)nc1-c1ccccc1 427945556 RPKHFCAZDYZLSD-UHFFFAOYSA-N 298.411 3.993 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](OC(C)C)c1ccccc1 429906497 HTSQFKUYOZZBAK-INIZCTEOSA-N 275.392 3.577 30 20 CHED N#Cc1cccc(C#N)c1N1CCC[C@H](c2ccccc2)C1 431507448 MWIMUKVBLXOOIP-SFHVURJKSA-N 287.366 3.814 30 20 CHED CCc1ccc([C@H]2CCN(c3cnccc3C#N)C2)cc1 431509689 WJEFMLSUEOPHSO-KRWDZBQOSA-N 277.371 3.510 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 432091499 FWXRTUBGTVJMSY-JKSUJKDBSA-N 286.419 3.519 30 20 CHED Cc1cc(CN(C)C(=O)c2ccc(C#N)cc2C)ccc1F 436084522 YVLPYALDHDPCET-UHFFFAOYSA-N 296.345 3.586 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cc(C#N)ccc1OC 438185742 DDRAMWUFFVHXHD-UHFFFAOYSA-N 289.379 3.657 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 438348284 RQYMAEPUHWXSME-CQSZACIVSA-N 260.356 3.565 30 20 CHED CCOC(=O)[C@H](CC)SCc1ccc(C#N)cc1Cl 438902400 RONWQPZVGHDUFY-ZDUSSCGKSA-N 297.807 3.787 30 20 CHED CC1(C#N)CN(C(=O)Nc2ccccc2-c2ccccc2)C1 439034338 QRXMZTBDWKSWTI-UHFFFAOYSA-N 291.354 3.731 30 20 CHED CCc1c(N[C@H]2CC[C@@H](C#N)C2)cnn1CCC(C)C 442858346 HLXHZKGUNRBHHT-KGLIPLIRSA-N 274.412 3.596 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C(C)C)C1 444832270 BQVQKNRCZPMCGO-OAHLLOKOSA-N 285.391 3.767 30 20 CHED CCC[C@]1(COC)CCCN1Cc1ccc(CC#N)cc1 447392217 HHNREPDUSBNUSZ-GOSISDBHSA-N 286.419 3.534 30 20 CHED C=C(CC)CNc1ccc(C)c(C(=O)N(C)C(C)C)c1 447409119 KHWFNSLVNVIKON-UHFFFAOYSA-N 274.408 3.854 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@H]2CCSC2)c1 447817876 QIOJFVXLIZKGID-SNVBAGLBSA-N 286.322 3.742 30 20 CHED COCc1cc(CNC2CCC(C)(C#N)CC2)ccc1F 449124720 QUXJTVIOIIGWOB-UHFFFAOYSA-N 290.382 3.534 30 20 CHED CC(=O)c1ccc(OCC2(C#N)CCC2)c(Cl)c1 450909421 WKKGOSXWAKBAOX-UHFFFAOYSA-N 263.724 3.615 30 20 CHED C=CCC1(NC(=O)N(C)CCC(F)(F)F)CCCCC1 451941063 NKFPNIKXYDDUMH-UHFFFAOYSA-N 292.345 3.859 30 20 CHED C=CCCC(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 452406589 KSBGBEDOWRRSSC-HZPDHXFCSA-N 257.377 3.653 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1CCOc2ccc(Cl)cc21 452772662 GSNWAXSHRLFEGV-GFCCVEGCSA-N 293.794 3.535 30 20 CHED CC(C)(C)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 455804073 VUGSKYRAGQGRIL-UHFFFAOYSA-N 289.379 3.656 30 20 CHED CC(F)(F)c1ccccc1NC(=O)NCCCCC#N 455817246 XWFWLCNQSWHJTH-UHFFFAOYSA-N 281.306 3.614 30 20 CHED C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1C 456006875 CKXFZZDBDUCYSJ-CABCVRRESA-N 298.430 3.631 30 20 CHED CCC1(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 456099284 ASNVDCFSHIPGCI-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C=CCC1(NC(=O)c2ccc3c(c2)COC3)CCCCC1 456367994 OKXPTAVMFBSSRC-UHFFFAOYSA-N 285.387 3.726 30 20 CHED C=CCC1(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CCCC1 456516432 YVXDNUIXXCFULG-QLFBSQMISA-N 261.409 3.675 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc2ccccc2c1 457711006 PNKOZZLEIUUUDZ-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 459020562 RZHKSUFFMHRFFX-CQSZACIVSA-N 296.773 3.758 30 20 CHED C[C@@H](CCCc1cccnc1)NCc1ccc(F)cc1C#N 459651926 ZWHGSCJBHNKJEW-AWEZNQCLSA-N 297.377 3.593 30 20 CHED C=CCNC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 464784620 ZXWSLAWGWDMYKU-OAHLLOKOSA-N 276.355 3.542 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CCc2cc(OCC)ccc2C1 466428075 IETZEIMCFFOATD-AWEZNQCLSA-N 287.403 3.572 30 20 CHED C=CCCN(C)C(=O)NC[C@H](c1ccccc1)C(C)C 466984935 RGRNVNJWSGRBOH-INIZCTEOSA-N 274.408 3.644 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1ccc(F)c(C#N)c1 468874832 IRUXNZMMKCAZPY-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(C)CN(C)C(=O)NC[C@@H](Cc1ccccc1)C(C)C 469323154 FOODZKWIOUBKSY-QGZVFWFLSA-N 288.435 3.719 30 20 CHED CCC(O)(CC)CCNc1ccc(Cl)cc1C#N 472443346 SYRDPEAOOHSQMD-UHFFFAOYSA-N 266.772 3.565 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 478063425 DEQQDIMFKBEMNE-WFASDCNBSA-N 276.767 3.832 30 20 CHED CC#CCNC(=O)Nc1ccccc1Oc1ccccc1 483872368 OLRTYTAERPJRHR-UHFFFAOYSA-N 280.327 3.624 30 20 CHED C=CCCCCCS[C@@H](C)C(=O)N1CCCCC1 485581654 JENDDAASCGEHDO-AWEZNQCLSA-N 269.454 3.867 30 20 CHED Cc1nc(N2CCC[C@@H]2C2CCCCC2)ccc1C#N 488112202 QAENRTROBFPUCT-MRXNPFEDSA-N 269.392 3.811 30 20 CHED CC(C)[C@H]1N(c2ccc(Cl)c(C#N)n2)CC12CCC2 488494971 WSFDYJYKZCTPHD-CQSZACIVSA-N 275.783 3.622 30 20 CHED C=C(C)[C@H](NC[C@@H]1C[C@H]1C)c1ccc(F)c(F)c1 488561021 PZQSGOHMOZGQTA-GMXABZIVSA-N 251.320 3.828 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CSc1ccc(C)cc1 488817122 FCMYQWHSMNNMBV-CQSZACIVSA-N 275.417 3.654 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1CCSc2ccccc21 488879105 JJZWGUPRSGJSHD-ZFWWWQNUSA-N 287.428 3.833 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)c(F)c(C)c1 488879889 SUPUZOOXQWWHJD-AWEZNQCLSA-N 261.340 3.623 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(C#N)c2)C1 493583017 YMSNRAMEXAFNRA-CHWSQXEVSA-N 256.349 3.713 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)Cc1ccccc1C 494705269 WMEBORQYDJODCH-WBVHZDCISA-N 286.419 3.676 30 20 CHED CC[C@H](C(=O)N(C)CC(C)(C)C#N)C1CCC(C)CC1 497278665 WKQPZIFZXGDXQK-NRXISQOPSA-N 278.440 3.847 30 20 CHED CCCCCN(CCCOC)c1ncc(C#N)cc1Cl 503288553 WKHXHCGUKMFUGF-UHFFFAOYSA-N 295.814 3.640 30 20 CHED C=C1CCN(Cc2coc(-c3ccc(C)cc3)n2)CC1 513462350 UYGXDOHCXUFGCO-UHFFFAOYSA-N 268.360 3.802 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(O)c(C)c2)no1 518516985 VOPCHFWPGPMNQD-UHFFFAOYSA-N 258.321 3.604 30 20 CHED N#Cc1ccc(-c2ccc(OCC[C@@H]3CCNC3)cc2)cc1 521425567 JIVFAKFRSUUIRD-INIZCTEOSA-N 292.382 3.604 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 526001096 DXQAOKSPFQDWJY-HNNXBMFYSA-N 298.336 3.826 30 20 CHED C=CC[C@H](CO)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 527690408 FUSANPNVINJYNM-KZNAEPCWSA-N 273.420 3.630 30 20 CHED C=C[C@H](CC(=O)N1CC[C@](C)(CC)C1)c1ccccc1 533990646 PJFCOGZGMVPPBT-QAPCUYQASA-N 271.404 3.995 30 20 CHED CN(CCc1cccc2ccccc12)c1cnccc1C#N 537640516 PCZZICWUXFVGJT-UHFFFAOYSA-N 287.366 3.785 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 537641365 PBMUJPCYHDAHPU-GZBFAFLISA-N 255.365 3.724 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(OCC)c1 538349166 LEPQOKCTUJVCEP-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(C(C)C)CC1 540569506 UMDGUGJDWINFHT-CQSZACIVSA-N 266.429 3.809 30 20 CHED C[C@H](C#N)CN[C@H]1CCC[C@@H]1c1ccccc1Cl 545948387 IZWKHLOXLXYAOT-KYOSRNDESA-N 262.784 3.725 30 20 CHED C=CCCOCCCCc1nc(-c2ccc(F)cc2)no1 546956271 NWSLIXGZPMHUPG-UHFFFAOYSA-N 290.338 3.791 30 20 CHED CC[C@H](CC#N)NCc1cnc(C2CCCCC2)s1 547285600 UJFLYFWJMQRXMP-CYBMUJFWSA-N 277.437 3.973 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(OCCC)cc1 547373834 CQSFNRINWKLPAU-HNNXBMFYSA-N 290.407 3.629 30 20 CHED C=CCN(C(=O)N[C@H](c1ccccc1)C(F)(F)F)C1CC1 547842518 IVVZOUSKVLDRRF-CYBMUJFWSA-N 298.308 3.650 30 20 CHED CC(C)Oc1ccccc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 549536216 PJLZHLSPQPFJOZ-RRFJBIMHSA-N 272.392 3.817 30 20 CHED CC1(C)CN(CC#Cc2ccc(F)cc2)[C@@H]2CCC[C@H]21 550433079 DDSLQFWRMJJXTL-IAGOWNOFSA-N 271.379 3.688 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CSC[C@H]1C)c1ccccc1 552664075 RHVBJTRJWNSXJY-VNQPRFMTSA-N 289.444 3.604 30 20 CHED N#Cc1ccc(CNC2CC(c3ccc(F)cc3)C2)s1 553808959 BSSVLRACULRNGJ-UHFFFAOYSA-N 286.375 3.795 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 564608451 MDJDHLLEUODTSA-UHFFFAOYSA-N 281.359 3.888 30 20 CHED CN(C)CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C 568569394 QEDATJMGMJPKIU-MSOLQXFVSA-N 299.462 3.502 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCCC1(C)C 569540187 UCQGRQJHXONSBH-ILXRZTDVSA-N 251.414 3.526 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@]12CCC[C@H]1C2 569684099 BXUZSXDMUZZOMK-SUMWQHHRSA-N 283.375 3.509 30 20 CHED CCc1c(Nc2cccc(C#N)n2)cnn1CCC(C)C 569866500 PMMJFRQHGNIJIQ-UHFFFAOYSA-N 283.379 3.502 30 20 CHED CCc1nocc1CSCc1ccc(C#N)cc1F 574218575 DYBVWDZPRWLDBN-UHFFFAOYSA-N 276.336 3.681 30 20 CHED CCCN(C(=O)C[C@H](CC#N)c1ccccc1)C(C)C 574581740 QDQWIUBCRLEUMW-INIZCTEOSA-N 272.392 3.721 30 20 CHED CC[C@](C)(C#N)c1nc(C(C)(C)Cc2ccccc2)no1 576906927 GHEXJNQMLRJUSG-QGZVFWFLSA-N 283.375 3.781 30 20 CHED C[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(C#N)cn1 576933123 IHXRGOMIFGSBAW-OAHLLOKOSA-N 291.398 3.754 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl 578393633 JPSDFJBZSVWSMU-LBPRGKRZSA-N 290.794 3.768 30 20 CHED C=CCCCCN1CCC(n2cc(Cl)cn2)CC1 580397276 VDSAWGZBDXCLLR-UHFFFAOYSA-N 267.804 3.530 30 20 CHED N#CCCNc1cccc(COCCc2ccccc2)c1 580829776 YVUSPJICRXXTAD-UHFFFAOYSA-N 280.371 3.771 30 20 CHED Cc1c(NC[C@@H](C#N)CCC#N)cccc1-c1ncco1 581305930 DOFFNHZYIPCZDH-CYBMUJFWSA-N 280.331 3.505 30 20 CHED CCc1ccc([C@H](Nc2ccnc(C#N)n2)C(C)C)cc1 582252122 WDXUPPCVGFIPCY-QGZVFWFLSA-N 280.375 3.720 30 20 CHED Cc1cc(C#N)cc(N2CCC[C@@H]2CCc2ccccc2)n1 587352955 FRMWMPXCRQHNDZ-GOSISDBHSA-N 291.398 3.863 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCCC2(CCCCC2)C1 590949357 FSRZHTUXONZANZ-UHFFFAOYSA-N 291.439 3.682 30 20 CHED N#CC1(CCN2CCC([C@H]3CCOC3)CC2)CCCCC1 591026547 ONNOGSPZCOXJBX-KRWDZBQOSA-N 290.451 3.599 30 20 CHED C[C@@H]1SCC[C@H]1Nc1cc(C#N)ccc1C(F)(F)F 592000489 ABEIREJYTSTZKG-GZMMTYOYSA-N 286.322 3.883 30 20 CHED N#Cc1ccc(CNC2(c3ccccc3)CCCCC2)nc1 593966035 LQMDKCFMIMSQGV-UHFFFAOYSA-N 291.398 3.902 30 20 CHED C=C1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 594860159 BDQBACPXJGOSAT-UHFFFAOYSA-N 284.186 3.715 30 20 CHED CC(C)(C)c1cnc(SCC2(CC#N)CC2)o1 594892404 WPCLSBJNTVKWTI-UHFFFAOYSA-N 250.367 3.758 30 20 CHED C=CCCSCCNC[C@@H]1C[C@H]1c1ccccc1 594966350 HPHFSATZEKSHDL-HOTGVXAUSA-N 261.434 3.689 30 20 CHED C[C@@H]1CN([C@@H](C#N)c2ccccc2)[C@@H]1c1ccccc1 595340595 CSBGVMMAEVIFOB-JLSDUUJJSA-N 262.356 3.944 30 20 CHED Cc1cccc2c(N3C[C@@H]4CCCC[C@@H]43)c(C#N)cnc12 596294222 HNGDYQZPILWMJP-BBRMVZONSA-N 277.371 3.794 30 20 CHED Cc1ncsc1CSCCc1ccc(C#N)cc1 596360696 CLTCZBILWCKNJY-UHFFFAOYSA-N 274.414 3.799 30 20 CHED C=CCCNC(=O)Nc1cccc(CSCC)c1 596759507 DAVSJHZQHGMNAP-UHFFFAOYSA-N 264.394 3.637 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(SC)ccc1Cl 596986954 ZXPULZCLPQEELO-UHFFFAOYSA-N 297.811 3.829 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 597176292 HJZIRHQQZOZRHE-SNVBAGLBSA-N 288.338 3.893 30 20 CHED N#CC[C@H]1CCCN(C/C=C\c2ccc(F)cc2F)C1 597176700 JIBPNZCYDGJXPD-QDOCKXBDSA-N 276.330 3.604 30 20 CHED CCOc1ccc([C@@H]2CCCN2CC2(CC#N)CC2)cc1 602756265 MFGPKPGZKLPHLY-KRWDZBQOSA-N 284.403 3.916 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)Cc1ccc2ccccc2c1 604900686 AKEMIPXMADUKHE-CQSZACIVSA-N 282.387 3.946 30 20 CHED C=C1CCN(C(=O)C[C@@H](C)c2ccc(CC)cc2)CC1 606366726 PURVWOSUNWRNKW-OAHLLOKOSA-N 271.404 3.921 30 20 CHED C=CCCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 606896062 RBLSVPBGKKHIIZ-HNNXBMFYSA-N 254.377 3.923 30 20 CHED C=CCCCSCC(=O)NC1CCCCCC1 609805039 NWHKWJXGOIIRCT-UHFFFAOYSA-N 255.427 3.525 30 20 CHED C=CCCSCC(=O)N[C@H](C)CCCC(C)C 610088872 JZMMDJOJXJJKPG-CYBMUJFWSA-N 257.443 3.627 30 20 CHED CC[C@H](C)CN(CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 610500058 XLNOGOWHPCXMDE-KBPBESRZSA-N 287.407 3.697 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1 610579164 PWFXRPPNGKUUMP-ZACQAIPSSA-N 296.414 3.711 30 20 CHED C[C@@H](NC(=O)N[C@@H]1CCCCC1(C)C)c1cccc(C#N)c1 610707776 PKINOSOPVLOOIN-CZUORRHYSA-N 299.418 3.887 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2ccc(CC#N)cc2)cc1 611142667 OFQOKWGQHLLJOM-AWEZNQCLSA-N 292.382 3.806 30 20 CHED CCCn1ccc2cc(NC(=O)NCC(C)(C)C#N)ccc21 611620937 NWQSYNDIGGLLJP-UHFFFAOYSA-N 298.390 3.723 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(SC)ccc1Cl 617362293 MJFKMNOQLRWYAS-SNVBAGLBSA-N 299.823 3.982 30 20 CHED C=CCN(C(=O)c1cc2ccccc2s1)[C@@H](C)COC 617574793 IVZVVGWBZCRVGO-LBPRGKRZSA-N 289.400 3.564 30 20 CHED CSC1(CNc2nc(C(C)(C)C)ccc2C#N)CC1 618976972 DLOKHJFURBNPBA-UHFFFAOYSA-N 275.421 3.558 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCC(C)(C)C#N 619428869 IVXGXAVTVOSJCC-VXGBXAGGSA-N 264.800 3.971 30 20 CHED C=CCOc1c(Cl)cc(CN[C@@H](C)C2CC2)cc1OC 623341608 KSABEUHUDDTHPR-NSHDSACASA-N 295.810 3.802 30 20 CHED C=C(CNC(=O)N1CCC(F)(F)C[C@@H]1C)c1ccccc1 637147035 AMXWOYWJAHNZEX-ZDUSSCGKSA-N 294.345 3.529 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)cc2F)C1 640413723 TUSDNXPNUGMEPP-GFCCVEGCSA-N 292.354 3.654 30 20 CHED C=C(CC)CN[C@H](c1ccc(OC)cc1)c1ccccn1 652206670 OGEFSNLPVNAYTB-GOSISDBHSA-N 282.387 3.735 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)cc1C)[C@H](C)COC 665134105 KWOYZCCJSNLVDW-GFCCVEGCSA-N 296.798 3.703 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](CC)C1CCCCC1)OCC 677302961 JBEDZEGNODQZHB-HOTGVXAUSA-N 281.440 3.833 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)nc(C)n3C)CCC1 682910453 SGHJZTFFYHRFHJ-UHFFFAOYSA-N 283.375 3.567 30 20 CHED N#Cc1c(F)cccc1Sc1nc2cnccc2s1 702987311 AVIBGCRXRCSZAF-UHFFFAOYSA-N 287.344 3.853 30 20 CHED C=CCCC(=O)Nc1nc(COc2ccccc2)cs1 726499030 ZRYOMVFEZORLGC-UHFFFAOYSA-N 288.372 3.627 30 20 CHED C=CCCC(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 726652889 XCCOJLCPECERJA-UHFFFAOYSA-N 274.360 3.676 30 20 CHED C=CCOC(=O)c1occc1CN1c2ccccc2C[C@@H]1C 728685349 BKIYZGFESSUPSE-ZDUSSCGKSA-N 297.354 3.574 30 20 CHED C#Cc1ccc(C(=O)O[C@H](C)c2ccc(Cl)cc2)cn1 728937769 RFVWNCUELJHNKV-LLVKDONJSA-N 285.730 3.634 30 20 CHED C[C@@H]1CCCC1=NNc1ccc(Cl)c(C(=O)O)c1 729141046 SAHMMZLXTPNJRS-MRVPVSSYSA-N 266.728 3.626 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 729281715 NCIFPNFTRPRDGE-UHFFFAOYSA-N 284.281 3.889 30 20 CHED Clc1cncc(NN=C2CCC[C@H]2c2ccccc2)n1 732527940 AVIJUHREVIDWAW-LBPRGKRZSA-N 286.766 3.866 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCc1ccccc1C#N 734055520 WMDNADJENDSVKW-ZDUSSCGKSA-N 271.360 3.818 30 20 CHED C=CCCCOC(=O)c1ccnc(Oc2ccccc2)c1 735534625 NAKVDWJZQLDKST-UHFFFAOYSA-N 283.327 3.997 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCc2cccc(C#N)c2)c1 740352113 ZDUOKOGBVDZVIA-CQSZACIVSA-N 279.339 3.714 30 20 CHED Cc1cccc([C@H](C)C(=O)OCc2cc(C#N)ccc2F)c1 740354402 SXPIBTHPVIGTIH-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED Fc1ccc(NN=Cc2ccc3ccccc3n2)cc1 741451901 QNPIHYOGHLOEAX-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cccc(OC)c1OC 743450750 PPIKPURPXUGJAX-CQSZACIVSA-N 292.423 3.986 30 20 CHED C#CCOC(=O)C1(Cc2cccc(Cl)c2)CCCC1 744039798 ASNJDSDBBAYGCM-UHFFFAOYSA-N 276.763 3.619 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 744300033 PIRISQYZFGNTQA-SNVBAGLBSA-N 286.730 3.756 30 20 CHED C=CCSCCNC(=O)/C=C/c1cc(C)c(C)cc1C 745115529 KPWHGIMECCVAGX-VOTSOKGWSA-N 289.444 3.660 30 20 CHED C=C(Br)CSCc1cccc(OC)c1 747364482 UTXWODSFMRBKGW-UHFFFAOYSA-N 273.195 3.837 30 20 CHED C=CCCCC(=O)O[C@H](C)c1cc(F)ccc1F 748234454 FBIZIOYCKRSRDI-SNVBAGLBSA-N 254.276 3.925 30 20 CHED C=C(Cl)CNC(=O)/C=C(/C)c1cccc(Cl)c1 750000521 DWQSGPGSTWGVKZ-TWGQIWQCSA-N 270.159 3.612 30 20 CHED C[C@H](C(=O)OCCCCC#N)c1ccc(Cl)s1 750547467 DWPUKFPCUWCBKG-VIFPVBQESA-N 271.769 3.742 30 20 CHED Cc1cc(F)ccc1C=NNCc1cc(F)ccc1F 750933926 CUDYHZUSUUXDQO-UHFFFAOYSA-N 278.277 3.536 30 20 CHED CCCCC[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccccc1 751857504 FCUQVTRJJOEBSD-INIZCTEOSA-N 295.386 3.938 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2ccc(C(C)C)cc2[nH]1 753428016 HGMYUIQSDXUOPG-CYBMUJFWSA-N 270.332 3.750 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)/C=C3/CC[C@@H](C)C3)[nH]c12 753811370 ULSHXUQQXMGVMM-OIVWFDOYSA-N 293.370 3.794 30 20 CHED CCCCCCCCNC(=O)NCCc1csc(C)n1 754843106 WYUKMCDFEGZQQW-UHFFFAOYSA-N 297.468 3.654 30 20 CHED CC[C@H](C)c1ccc(C(=O)Nc2ccn(CCC#N)n2)cc1 755324422 BBJAZQHMQWVOMS-ZDUSSCGKSA-N 296.374 3.563 30 20 CHED CC(C)(C)CC=NNc1nc(C(F)(F)F)cs1 755770940 PZVQOJDLZSXINL-UHFFFAOYSA-N 265.304 3.996 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(F)cc1F)OCC 756470594 MFTINRVDKLYQCG-XHDPSFHLSA-N 298.329 3.940 30 20 CHED Cc1c(C(=O)/C=C/c2cc(C#N)cs2)cccc1[N+](=O)[O-] 756777374 IKLBHMZHRNBWSE-AATRIKPKSA-N 298.323 3.733 30 20 CHED C#CCCCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 757761195 WIVFZDNXHXHFLK-IILDEKEXSA-N 273.420 3.511 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(Cl)cs1 757792741 SNPMXQLLVCLIQW-UHFFFAOYSA-N 268.750 3.587 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 759281128 GPXIXDYNKHNHHT-YDZSZYSISA-N 296.414 3.856 30 20 CHED Fc1ccc(NN=Cc2cc(F)cc3cccnc23)cc1 760224403 ADOBPXDBGFYTJU-UHFFFAOYSA-N 283.281 3.959 30 20 CHED CCCCCCCCN1C(=O)[C@H]2CCCCCN2C1=O 760930787 YUUHZSDVSDLMMX-CQSZACIVSA-N 280.412 3.554 30 20 CHED COc1ccc2c(c1)C(=NNc1cccc(C)c1)CCCO2 763106861 RIADVCLUFDGIQB-UHFFFAOYSA-N 296.370 3.992 30 20 CHED CCS[C@H](C(=O)Oc1ccc(C#N)c(C)c1)C(C)C 765113221 MOUURWJIOYOQOJ-AWEZNQCLSA-N 277.389 3.550 30 20 CHED C=CCN(Cc1nc(-c2ccc(F)c(C)c2)no1)C(C)C 766024013 YIOSLIAXAGEKFF-UHFFFAOYSA-N 289.354 3.581 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1nc2ccccc2s1 767077909 VHTKWDXGQJPILX-LLVKDONJSA-N 286.400 3.523 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sccc1-c1ccc(C)cc1 767233272 VAOXWEDLCNICCB-ZDUSSCGKSA-N 283.396 3.817 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2ccccc2Cl)c1 768377244 YCBIBILGQNXRLE-UHFFFAOYSA-N 291.141 3.706 30 20 CHED C#CCOc1ccccc1CN[C@H]1c2ccccc2C[C@H]1C 772987300 IFQJRLIRLATKFT-FOIQADDNSA-N 291.394 3.722 30 20 CHED C=C(CC)CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 773427254 FLSFXFNIJRYINA-KRWDZBQOSA-N 277.383 3.537 30 20 CHED CSc1ccc2c(c1)CCCC2=NOC1CCOCC1 774456763 GDXCWYZHCUBMOY-UHFFFAOYSA-N 291.416 3.645 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)NC1CCN(C)CC1 775137843 DEOCVOMVLRZWQH-MRXNPFEDSA-N 296.499 3.974 30 20 CHED N#C[C@H](OC(=O)Cc1ccc(F)cc1F)C1CCCCC1 776392650 UQBIALBORUHWQT-HNNXBMFYSA-N 293.313 3.523 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc2sccc2c1 776397061 MEHOVNXNEOUWAE-UHFFFAOYSA-N 273.357 3.998 30 20 CHED CC(=O)CCCCCCC(=O)O[C@@H](C#N)C1CCCCC1 776399365 KRJZIRXJONWPQB-INIZCTEOSA-N 293.407 3.932 30 20 CHED O=C1/C(=C/C=C/c2ccccc2)Cc2cc(O)ccc21 780186984 BHFKSIVTRPHVFE-CUJDEGIUSA-N 262.308 3.771 30 20 CHED Cc1ccc([C@H](NCc2ccc(C#N)cn2)C2CCC2)cc1 783292986 FCCFXNMMINUKSP-LJQANCHMSA-N 291.398 3.893 30 20 CHED Fc1cnc(NN=C2CC(c3ccc(Cl)cc3)C2)nc1 783864032 UHRBFXPCHYUDNL-UHFFFAOYSA-N 290.729 3.615 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1cc(C#N)cc(Cl)n1 783864077 PEUXDIUTKDRKGH-JQWIXIFHSA-N 276.771 3.831 30 20 CHED CCc1ccccc1CC(=O)O[C@@H](C#N)C1CCCCC1 785829972 OOSCIOWOFWNQBZ-KRWDZBQOSA-N 285.387 3.807 30 20 CHED CCCOc1ccc(C=NNC2CCCCC2)cc1OC 786043080 HFQMHUHGULANKL-UHFFFAOYSA-N 290.407 3.740 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc(Cl)cc1Cl 788029218 DFRLKGHKPVXBNM-SNVBAGLBSA-N 288.174 3.771 30 20 CHED C#CCC1(C(=O)N[C@@H](C)Cc2cccs2)CCCCC1 788137005 ZTYGOBKGWGCHNQ-AWEZNQCLSA-N 289.444 3.769 30 20 CHED C#CCC1(C(=O)N2CC[C@H](CC(C)C)C2)CCCCC1 788228612 KNIPEXQRSNYZSC-MRXNPFEDSA-N 275.436 3.855 30 20 CHED CCCCCC(C)=NNc1ccc2c(=O)[nH]ccc2c1 789071211 QXSGHEAGWXWGMR-UHFFFAOYSA-N 271.364 3.896 30 20 CHED Clc1ccc(C2CC(=NNCCc3ccccn3)C2)cc1 789103271 RNBAWCMRXKJHFA-UHFFFAOYSA-N 299.805 3.801 30 20 CHED CCOCCON=CCCc1c(Cl)cccc1Cl 790176627 RRMHZAMFJDYIAU-UHFFFAOYSA-N 290.190 3.965 30 20 CHED C#CCCCCC(=O)N1CC2(CCC2)c2ccccc21 791022748 WTHDNBHOFBMNMK-UHFFFAOYSA-N 267.372 3.649 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cncc(-c2ccc(C)cc2)c1 791202226 HKXHVSLFHUSWLL-SFHVURJKSA-N 292.382 3.589 30 20 CHED CCCCCCCCCNC(=O)Cc1ncccc1F 792046988 QWSWVCIJAMQJCM-UHFFFAOYSA-N 280.387 3.630 30 20 CHED COc1ccc(NN=C[C@H](OC(C)C)c2ccccc2)nc1 793041248 MHXBOZXJJYCPDV-INIZCTEOSA-N 299.374 3.654 30 20 CHED CC1(CNN=C2CCC[C@H]2c2ccccn2)CCCC1 793083676 DTWJGEJMXUPTMN-AWEZNQCLSA-N 271.408 3.875 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(C)s1 793181445 RDNMDBUCTDIBHI-UHFFFAOYSA-N 265.769 3.941 30 20 CHED C=CCCCCC[C@H](C)Nc1cccc(C(N)=O)c1 793540679 BEROMJJEHHLLAE-ZDUSSCGKSA-N 260.381 3.722 30 20 CHED O=C(/C=C/c1cccc(Cl)c1F)c1ccnc(F)c1 794717607 AADDRCDXZYZIKS-SNAWJCMRSA-N 279.673 3.909 30 20 CHED C=CCNN=Cc1c[nH]c2cc(Cl)cc(Cl)c12 794999476 GQAJTFFZESOOAZ-UHFFFAOYSA-N 268.147 3.584 30 20 CHED C[C@@H]1CCC(=NNc2cccc(F)n2)c2ccccc21 795007902 QNQOYXYLVMUHQJ-LLVKDONJSA-N 269.323 3.934 30 20 CHED COc1cc(C)c(C(C)=NNc2cccc(F)n2)cc1C 795008902 SELSMAFCGRPJQC-UHFFFAOYSA-N 287.338 3.682 30 20 CHED C=CCNCc1ccc2c(c1)CCN2Cc1ccccc1 796254693 CSICPBMLJSZKDH-UHFFFAOYSA-N 278.399 3.525 30 20 CHED C=CCC(C)(C)C(=O)OCCc1ccc(F)c(F)c1 796461906 BZWOQTTXTVZDGX-UHFFFAOYSA-N 268.303 3.653 30 20 CHED C=CCOCCOC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 797283495 ORTYFJACJCORLM-MSOLQXFVSA-N 296.366 3.689 30 20 CHED Cc1noc(C2CCC(=NN[C@H](C)c3ccccc3)CC2)n1 797402352 YDIZMIVKHLSGOE-KEKZHRQWSA-N 298.390 3.742 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(N(C)C)c(F)c2)oc1C 799897113 MYGHLVQBUNEKQH-VURMDHGXSA-N 287.334 3.998 30 20 CHED C#CCCCNc1cc(-c2ccc(OC)nc2)ccc1C 800878482 VFKAZMFIIYILIY-UHFFFAOYSA-N 280.371 3.891 30 20 CHED C#C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(Cl)cc1F 804416986 MAPTYTMNGDOVQJ-BONVTDFDSA-N 293.769 3.706 30 20 CHED Oc1ccc(Cl)cc1/C=N/Cc1noc2c1CCCC2 806552217 QWYHTVCDMWHEFX-CAOOACKPSA-N 290.750 3.532 30 20 CHED Cc1nsc(Oc2ccc(C=O)cc2Cl)c1C#N 807944431 AWLBHDLSISRMOA-UHFFFAOYSA-N 278.720 3.581 30 20 CHED C[C@H]1CC(=NNc2cccc(C#N)c2)c2ccccc21 807960782 NSOBVCQYCOXHFP-LBPRGKRZSA-N 261.328 3.882 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CC[C@@H]1C(C)(C)C 807982388 YVIAGKNZKFXNGK-NSHDSACASA-N 290.363 3.617 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)nc1C 808782586 ZCGYHAOMEFHFFU-JTQLQIEISA-N 299.201 3.878 30 20 CHED C=C(Cl)CSc1nc(C2CC2)nn1-c1ccccc1 809086763 DIEGBFZZSKZJLQ-UHFFFAOYSA-N 291.807 3.989 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccc(CC)s2)cc1 809257507 LFVIZKOSEYPQPY-HNNXBMFYSA-N 298.411 3.868 30 20 CHED C#CCC1(c2nc(CCC(=C)C)no2)CCCCC1 809500634 OIETVHCRPNOTKP-UHFFFAOYSA-N 258.365 3.804 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NN[C@H](C)COc2ccccc2)o1 811666772 JQTNHJGUZJZHFH-VBQJREDUSA-N 298.386 3.794 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 811994821 HKZBANBVYKDDHN-WMLDXEAASA-N 286.419 3.609 30 20 CHED FC(F)(F)CNN=Cc1ccc(C2CCCC2)cc1 812229873 KMMLBHHGFSVGEE-UHFFFAOYSA-N 270.298 3.830 30 20 CHED CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C#N)o1 814119410 DCAFJIUGJVQYGS-OAHLLOKOSA-N 296.370 3.635 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1cccc(C2CC2)c1 814812759 LVTJKIXECFFVTM-UHFFFAOYSA-N 280.331 3.568 30 20 CHED C1CCC2(CCCC2)C(=NOC[C@@H]2CCOC2)C1 814911958 HMCFQPHIUVEPFR-CYBMUJFWSA-N 251.370 3.530 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@@H]2CCCC2(C)C)cc1 815164695 ZPFNPPMVFFDWKY-HOCLYGCPSA-N 286.419 3.893 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(C)c(C)c1 815312461 XOYKQADALYRPQI-UHFFFAOYSA-N 254.276 3.558 30 20 CHED C=CCC(F)(F)C(=O)OCCCSCC(C)C 815313490 JDDSIEBSCSVJNM-UHFFFAOYSA-N 266.353 3.520 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCCc2ccc(F)cc21 816545217 IOPGBAAOPCAPKN-CYBMUJFWSA-N 283.293 3.531 30 20 CHED CC/C(=C/C(=O)N(C)CC(C)(C)C#N)c1ccc(C)cc1 817605084 KOSKXOHWBJYRKC-PTNGSMBKSA-N 284.403 3.797 30 20 CHED C=CCCCCC[C@@H](C)NCCc1ccc(N)cc1 817958827 ZDIPMVDNRHWNDI-OAHLLOKOSA-N 260.425 3.926 30 20 CHED CCCCCC(C)=NNC(=S)Nc1ccccc1OC 818217119 QGYWGFNNBCVCJW-UHFFFAOYSA-N 293.436 3.938 30 20 CHED C=CCC(C)(C)C(=O)OCC[C@]1(C)C[C@@]1(F)Cl 822041870 RSVIEFYYXKNMKI-OLZOCXBDSA-N 262.752 3.837 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 826861953 PCPVEQZFJAUWIV-QGZVFWFLSA-N 297.446 3.803 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C(/C)CC 832406219 VHWARLMVIMXWEX-NVNXTCNLSA-N 289.423 3.725 30 20 CHED CCc1nocc1/C=C\C(=O)c1ccc(OC(C)C)cc1 834408012 GLDQEZOIVCJLFH-YFHOEESVSA-N 285.343 3.920 30 20 CHED C#Cc1cccc(CN[C@H](C)c2sc(C)nc2C)c1 834903028 NWFRGXPRPGZDBK-LLVKDONJSA-N 270.401 3.592 30 20 CHED C=CCC1(C(=O)O[C@H]2C[C@H](C)O[C@H](C)C2)CCCC1 835302813 SJILUJASQGTEOM-BTTYYORXSA-N 266.381 3.622 30 20 CHED CC(C)(CCC#N)COC(=O)CCCC(=O)C(C)(C)C 835385548 BXKPOPNRIAUWEF-UHFFFAOYSA-N 281.396 3.645 30 20 CHED C=C(CC)CNC(=O)c1ccc(SC(F)F)cc1 837100599 HAZYEHVMNOMMGJ-UHFFFAOYSA-N 271.332 3.697 30 20 CHED CC(C)(C)C#CC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 837669145 ALUSTIZEFLHJAM-QGZVFWFLSA-N 281.399 3.790 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2coc(-c3ccccc3)n2)C1 839054801 OOHSVEYHQDFQIM-OCCSQVGLSA-N 296.326 3.581 30 20 CHED C#CCCCC(=O)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 839849679 YTCLGBOWZSQUKA-BPQIPLTHSA-N 283.415 3.879 30 20 CHED Cn1ncc2c1CC/C(=C/c1ccc(C3CC3)cc1)C2=O 840719769 VPLNFHXRXLVQEU-GDNBJRDFSA-N 278.355 3.510 30 20 CHED CC[C@H](NCc1ccc(OCC#N)cc1)[C@@H]1CC1(C)C 840726885 NXEFZHDQPZQEHR-HOTGVXAUSA-N 272.392 3.503 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccc(C)c(C)n2)cc1 840785389 XXRAWRKDJIPYMF-MRXNPFEDSA-N 294.398 3.561 30 20 CHED C[C@@H]1CC(C(=O)Oc2cccc(OCC#N)c2)C[C@@H](C)C1 841344011 MFYVBDNTGXRDIB-STQMWFEESA-N 287.359 3.567 30 20 CHED Cc1ccc(C[C@@H](C#N)SC2=N[C@@H](C)CS2)cc1 842568494 QPNDWIWJQORUMY-AAEUAGOBSA-N 276.430 3.654 30 20 CHED CC(C)(C#N)Cc1cccc(-c2ccc3c(c2)CC(=O)N3)c1 844234703 STNKDLBIXKTKRZ-UHFFFAOYSA-N 290.366 3.940 30 20 CHED CC[C@H](CC#N)OC(=O)[C@H](C)c1ccc(Cl)cc1 845528372 GJQCSOBAOISEQC-ZWNOBZJWSA-N 265.740 3.679 30 20 CHED N#Cc1cccc(CNCCC[C@@H]2CC2(Cl)Cl)c1 846102658 PUNRZDPRSDMYSG-CYBMUJFWSA-N 283.202 3.622 30 20 CHED CC(C)C[C@@H](NCc1ccc(C#N)cn1)c1ccc(F)cc1 846163234 GUMJFTPXXORMRG-GOSISDBHSA-N 297.377 3.969 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@H]1CCC(=O)[C@@H](C)C1 851141858 DUUZYPMGKXPYNV-FQLMCAECSA-N 278.392 3.670 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1ccnn1C(F)F 851142004 FGVGEHOVLGEZTB-CMPLNLGQSA-N 284.306 3.570 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1cccc(C)n1 851142718 WYVHUFXRSIDYGR-ZFWWWQNUSA-N 259.349 3.682 30 20 CHED Cc1nc2cc(C(=O)O[C@H](C)CC(C)(C)C#N)ccc2o1 851203963 HWNAZHLWPIAMFP-SNVBAGLBSA-N 286.331 3.621 30 20 CHED C(=NN[C@@H]1CCCOC1)c1ccc(-c2cccs2)cc1 853336096 OIVIUCQDCAFZGM-OAHLLOKOSA-N 286.400 3.518 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(C(F)F)nc1 853347822 REKUUVZKFMVZNT-VXXAXXLESA-N 260.671 3.512 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(F)c1SC 855248429 HAVRAJMNNSESCQ-UHFFFAOYSA-N 275.295 3.698 30 20 CHED C[C@H](C#N)N(C(=O)CCc1ccc(C(C)(C)C)cc1)C1CC1 855584742 WGEBBELAAXAXSD-CQSZACIVSA-N 298.430 3.820 30 20 CHED C=CCC[C@@H](OC(=O)c1cnc2n1CCCCC2)C1CC1 857015111 RSUKMSOFUVUWIK-OAHLLOKOSA-N 288.391 3.511 30 20 CHED CCC(CCc1ccccc1)=NN[C@H]1CCOC(C)(C)C1 863108483 MMKHDJYYLZQRLS-KRWDZBQOSA-N 288.435 3.932 30 20 CHED CCCC(=NNc1nccn1C)c1cc(C)sc1C 863109257 HGKYGEIPWNBZCG-UHFFFAOYSA-N 276.409 3.715 30 20 CHED C[C@H]1SCCC1=NNc1nc2ccccc2[nH]c1=S 863125487 XNFYAEFMMKXPTE-MRVPVSSYSA-N 290.417 3.586 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC1(Cl)Cl 877593924 JSVGEUCJJDRGQR-GXTWGEPZSA-N 295.213 3.719 30 20 CHED N#CC1(OC(=O)c2cc3c(Cl)cncc3s2)CCC1 892834285 DFLNJCOXWRJBLP-UHFFFAOYSA-N 292.747 3.553 30 20 CHED N#Cc1cccc(Cl)c1NCc1nc2c(s1)CCC2 895462821 AWXPIJGNNGXOGO-UHFFFAOYSA-N 289.791 3.769 30 20 CHED CCc1onc(C)c1/C=C1/C(=O)c2ccccc2[C@H]1C 899375317 WWBNLYRYJQWKEA-GMROUXNLSA-N 267.328 3.929 30 20 CHED COc1ccccc1OCCCCC1(C#N)CCC1 901373834 SRHRUEBAAINTCC-UHFFFAOYSA-N 259.349 3.938 30 20 CHED CCn1c(=O)n(CCCCC2(C#N)CCC2)c2ccccc21 902695541 UMPQSDGPTAAVBL-UHFFFAOYSA-N 297.402 3.687 30 20 CHED N#CC1(CCCCOc2ccccc2-n2cncn2)CCC1 902752774 PRZZFSRMFFBCSN-UHFFFAOYSA-N 296.374 3.510 30 20 CHED CC[C@H](N[C@H](CC)C1CCOCC1)c1cccc(C#N)c1 902829980 IILVFJFXUCIXRS-MSOLQXFVSA-N 286.419 3.804 30 20 CHED C=CC[S@](=O)[C@H](C)c1ccc(OC(F)(F)F)cc1 905170556 ZYOXLXZZPFQOLV-LZVRBXCZSA-N 278.295 3.581 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 909106899 HJGBEQRFIANUGG-CQSZACIVSA-N 281.739 3.579 30 20 CHED Cc1nc(C=NNc2ccc(Br)cc2)cs1 912828139 RSNDPGQYFGLNGA-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CC(C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915354282 ZBZNTXUTHFGBDQ-QGZVFWFLSA-N 293.370 3.872 30 20 CHED C[C@H]1CCCC(=NNC(=S)Nc2ccccc2F)C1 915920667 IDVVHYPJMKJPFL-JTQLQIEISA-N 279.384 3.678 30 20 CHED Fc1ccc(F)c(C=NNCc2cccc3cccnc23)c1 915959200 INSJDKMIKPEPGJ-UHFFFAOYSA-N 297.308 3.637 30 20 CHED CC(=NNc1nccc2sccc12)c1ccccn1 915980233 QOGTXDGIIIWOSG-UHFFFAOYSA-N 268.345 3.527 30 20 CHED CCc1ccc(C=NOCCOc2ccccc2OC)cc1 917395234 HNJNURKUENFIET-UHFFFAOYSA-N 299.370 3.687 30 20 CHED CCCn1cccc1C=NNc1ccccc1Cl 918153838 PQXCTRRCALOUQY-UHFFFAOYSA-N 261.756 3.998 30 20 CHED C=CCN(C(=O)N[C@H]1CCc2c(Cl)cccc21)C(C)C 919921808 USTAHKDFYVUKIP-HNNXBMFYSA-N 292.810 3.933 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)C2(Cl)CC2)c1 925412710 CBLCVUPOSRWZTE-GXTWGEPZSA-N 292.810 3.617 30 20 CHED CCCCn1ncc(N[C@H](C)CC(C)(C)C#N)c1C 925968101 WCCOIWKLFYJMOY-GFCCVEGCSA-N 262.401 3.732 30 20 CHED CC(C)n1cc2c(n1)[C@H](N[C@@H](C)CC(C)(C)C#N)CCC2 926183359 MGPZYNRLNQJXGV-DZGCQCFKSA-N 288.439 3.759 30 20 CHED C=C[C@@H](CC)CC(=O)NCC1CCC(F)(F)CC1 935838197 WPAJSSGHSPLYQF-NSHDSACASA-N 259.340 3.530 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ccc(C(C)(C)C)nn2)o1 1116090151 IQFFGYLOBKSIED-WCQYABFASA-N 298.390 3.937 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(CC)n(C)n1 1116526169 NCXUHVJPAOBGLM-UHFFFAOYSA-N 293.455 3.805 30 20 CHED C=C(CNC(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 1117487108 LUDVLUUPESRHBQ-ZWKOTPCHSA-N 298.430 3.922 30 20 CHED CC1(C)CCC/C(=C/c2cnc(Cl)c(C#N)c2)C1=O 1118227185 JTFNGKZIJUBSFT-WDZFZDKYSA-N 274.751 3.769 30 20 CHED CCCC[C@](C)(F)c1nnc(-c2cccc(C#N)c2)o1 1118432300 DIYYCZVBHXBSDP-HNNXBMFYSA-N 273.311 3.983 30 20 CHED C=CCC1(c2nnc([C@H]3CCCCO3)o2)CCCC1 1118435534 RCBBIQPMXCLWOO-GFCCVEGCSA-N 262.353 3.699 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC=CC12CCCC2 1123306051 AUFDUTGWRYEADS-UHFFFAOYSA-N 281.359 3.583 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](C#N)C2)cc1 1177388826 DFSRXZVDXUVAIR-RDJZCZTQSA-N 298.430 3.751 30 20 CHED N#Cc1ccc(Sc2ncnc(-c3ccccc3)n2)cc1 1184972919 LEVYSNCOYBCTHI-UHFFFAOYSA-N 290.351 3.561 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1ccc(O)cc1)C2=O 1251245693 WZLZLDHNKCHUEA-ZROIWOOFSA-N 280.323 3.668 30 20 CHED CC(C)(C)Cc1nnc(C(C)(C)Oc2ccc(C#N)cc2)o1 1257861232 HHYYLUWPDXQMMR-UHFFFAOYSA-N 299.374 3.844 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccccc1SC 1261646939 CDHBBTNATCFKBN-CMDGGOBGSA-N 286.400 3.911 30 20 CHED CCC[C@@H]1CCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1262647242 YOBXHKNVGFBHIG-IAGOWNOFSA-N 284.403 3.550 30 20 CHED CCC/C=C\C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1263620313 RAKPAQJVHDPCJD-PENHIPQLSA-N 287.750 3.749 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccn1 1263643658 MFHGLOLYXARZIH-GFCCVEGCSA-N 279.771 3.698 30 20 CHED Cc1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1C#N 1264421274 ZXMANFDIYIDAQK-UHFFFAOYSA-N 292.382 3.920 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)NCC3(C#N)CC3)c21 1311225508 UVORFQDGMBAFHC-LBPRGKRZSA-N 297.402 3.897 30 20 CHED C#CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)CC1CC1 1319841470 HPKHULIIHACIQD-UHFFFAOYSA-N 299.805 3.575 30 20 CHED CC[C@H](CNc1cccc(CC#N)n1)Oc1ccccc1C 1320359667 QKFGDZAJHBXPKQ-MRXNPFEDSA-N 295.386 3.726 30 20 CHED N#Cc1cccc(-c2nnc(C[C@@H]3C[C@H]4CC[C@H]3C4)o2)c1 1322996937 MRRQTMGEMURDEU-WHOFXGATSA-N 279.343 3.587 30 20 CHED CCNc1ccc(C#N)cc1NC[C@@H]1CC1(Cl)Cl 1323492265 NJOHDWTXQGTUHK-JTQLQIEISA-N 284.190 3.596 30 20 CHED CCOc1ccc(NN=Cc2cccn2C2CC2)cc1 1324611018 VNQQSJCBTUDPMO-UHFFFAOYSA-N 269.348 3.668 30 20 CHED C=C(C)CCNC(=O)c1c(CC)oc2ccccc12 1324678556 JQQCUWWWYVNZSR-UHFFFAOYSA-N 257.333 3.691 30 20 CHED C=C[C@@H](CC(=O)N(CC)C(C)(C)C)c1ccccc1 1325495807 XUVZTUYMDGWYPW-AWEZNQCLSA-N 259.393 3.993 30 20 CHED CCc1nc(C)c(-c2nnc(-c3cccc(C#N)c3)o2)s1 1326305171 IJNDCNSGDDBUFI-UHFFFAOYSA-N 296.355 3.603 30 20 CHED Cc1cc(C)c2c(c1)CCCN2C(=O)c1csc(C#N)c1 1327009273 LJHMOKAZHVVHNY-UHFFFAOYSA-N 296.395 3.830 30 20 CHED C[C@H](c1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C 1328429167 KVGFMWOVVCFMND-SNVBAGLBSA-N 255.321 3.758 30 20 CHED C=CCOc1c(Cl)cc(CNC2(C)CC2)cc1OC 1331261165 GQNNPCHOKAKRRW-UHFFFAOYSA-N 281.783 3.556 30 20 CHED CCN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@@H](C)C#N 1331283822 WTOFRDNFJRXBAZ-YEZKRMTDSA-N 297.185 3.767 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2ccc(Cl)cc2C1 1333497151 ZHASUXCMPOZFQG-GFCCVEGCSA-N 277.795 3.827 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc2scnc2c1 1340376866 ROVBSPOZQSAUEJ-UHFFFAOYSA-N 292.363 3.677 30 20 CHED N#C[C@H](C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1cccc(F)n1 1342710610 MZVLDPXHBJABBQ-UPJWGTAASA-N 286.350 3.613 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@H]1CCSC1)c1cccs1 1345146883 JKYCDCOQLCXXQC-NTZNESFSSA-N 295.429 3.635 30 20 CHED C=C(CC)C(=O)N1CCC(OCC2CCCCC2)CC1 1346170347 VPLDRFWLUWNDDI-UHFFFAOYSA-N 279.424 3.541 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 1346454712 HRIRVUGRUQLQMT-ZDUSSCGKSA-N 285.391 3.761 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)Cc2cc(Cl)cc(Cl)c2)C1 1347247560 XHOFPNZWOLACSI-RNCFNFMXSA-N 298.169 3.771 30 20 CHED N#CC1(CCCCOC(=O)[C@@]23CCC[C@@H]2C3)CCC1 1352895145 MNGKJXNTCUXPIX-CZUORRHYSA-N 261.365 3.584 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 1353907559 YUZAKAOANRIVMB-IXDOHACOSA-N 287.378 3.886 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(F)c2F)c1 1356069689 SYCFTOPFFUHJEI-QWHCGFSZSA-N 298.292 3.579 30 20 CHED CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CC1(C)C 1458448042 VTZSUKHNLRZRKZ-YUMQZZPRSA-N 269.801 3.905 30 20 CHED N#Cc1ccnc(CN2CCC(C3CCCCC3)CC2)c1 1460373017 UXMLKSKBMFJUMB-UHFFFAOYSA-N 283.419 3.746 30 20 CHED CC[C@@H](Nc1cc(C#N)cnn1)c1cccc(Cl)c1 1472713369 VEWGKCBACKLQRN-CYBMUJFWSA-N 272.739 3.565 30 20 CHED CC1(CNC(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1476647079 XZBNEZKAKPSYQW-UHFFFAOYSA-N 291.420 3.839 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(C#N)ccc1F 1516965646 YMFIKXQQRTTXAE-XJKSGUPXSA-N 288.366 3.738 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cc2c(ccc3ccccc32)o1 1539942914 UZEQDURQZCJZHF-GFCCVEGCSA-N 292.338 3.960 30 20 CHED C=C[C@@H](C(=O)NC[C@@H]1CCCC(F)(F)C1)c1ccccc1 1548701224 ODKWMNBPODDFAT-UKRRQHHQSA-N 293.357 3.898 30 20 CHED CCCC[C@H](CCC)CNC(=O)N1CCC[C@@H](C#N)C1 1564306958 SCAYNEPNVBUXPX-GJZGRUSLSA-N 279.428 3.538 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](C(=O)O)c1ccccc1 1588831645 GINDSOSNTQLVSU-QGZVFWFLSA-N 299.345 3.640 30 20 CHED C=C(CC)CNc1cc(Cl)c(F)c(C(=O)O)c1 1609259552 YQSNLWJGCUYUDV-UHFFFAOYSA-N 257.692 3.555 30 20 CHED CCc1ccc(CN(C)c2c(C#N)cccc2C#N)cc1 1611721484 ZOAKSQVANOKCMN-UHFFFAOYSA-N 275.355 3.629 30 20 CHED Cc1cc(NCCc2nc3ccccc3s2)ncc1C#N 1611745424 OXUHTCKTVZCSJM-UHFFFAOYSA-N 294.383 3.526 30 20 CHED Cc1cc(C#N)nc(NCC[C@@H]2C[C@H](C)CC(C)(C)C2)n1 1639858606 LIELIFHZRKNAIS-GXTWGEPZSA-N 286.423 3.921 30 20 CHED Cc1cc(C#N)ccc1CN1Cc2cc(F)c(F)cc2C1 1643592855 YHXMCOXHSVHATG-UHFFFAOYSA-N 284.309 3.661 30 20 CHED CC[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H]1C 1650989828 RXFOCQLJTNPBSP-UWVGGRQHSA-N 283.297 3.597 30 20 CHED Cc1nc(N2CC(C)(C)C[C@@H]2C)c(Cl)cc1C#N 1655574776 AIMJIGVLAGCADM-VIFPVBQESA-N 263.772 3.540 30 20 CHED N#Cc1csc(CNCc2ccc(-c3cnco3)cc2)c1 1658108073 AMWLTFOYLUEPAM-UHFFFAOYSA-N 295.367 3.565 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)Nc1cccc(C#N)c1 1673022203 NRPSOVQJIWWPLS-MRXNPFEDSA-N 285.391 3.991 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1ccc(CC(=O)O)cc1 1776084869 UIAZUCAMJIRXCN-JSGCOSHPSA-N 288.391 3.928 30 20 CHED Cc1c(NN=C2CC[C@H]2C(C)(C)C)cccc1C(=O)O 1776088595 WPCCDWQOCRVCIT-GFCCVEGCSA-N 274.364 3.917 30 20 CHED C=CCC1(C(=O)O)CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)CC1 1776160652 PEAOJUKGMLXTJA-JYJNAYRXSA-N 291.435 3.556 30 20 CHED C=CCCCCN(C)[C@H](C)c1cc(C)c(C(=O)O)o1 1776173610 ASCFVEHIZVVWRZ-GFCCVEGCSA-N 265.353 3.635 30 20 CHED CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)cn2)cc1 107424683 VULYCPWFBKGJOZ-UHFFFAOYSA-N 279.343 3.503 30 20 CHED CC(C)(CCC#N)CNCCCCCN1CCCCC1 174386049 MAPVIQJXAPKXSH-UHFFFAOYSA-N 279.472 3.562 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC(C)(C)c1ccccc1 58451397 CMFAWXBPLJIOQX-UHFFFAOYSA-N 293.370 3.924 30 20 CHED C=CCN1CCC(N[C@@H]2CC[C@H](C)c3ccccc32)CC1 177910627 JUPGOBVQZOBEDS-HNAYVOBHSA-N 284.447 3.865 30 20 CHED N#Cc1ccc(NC(=O)CCCc2ccc(Cl)cc2)nc1 103926685 RKTUTKMEAZKPPF-UHFFFAOYSA-N 299.761 3.568 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2F)cc1 101404623 JPYYDRVIKSEUEF-FLIBITNWSA-N 256.276 3.730 30 20 CHED Cc1[nH]ccc1C(=O)Nc1ccccc1SC[C@H](C)C#N 176322607 SNBSHONUQZQSRJ-LLVKDONJSA-N 299.399 3.827 30 20 CHED CC(C)[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1 27635649 JHSUBCQEKJJERS-GOSISDBHSA-N 292.382 3.728 30 20 CHED C[C@@H](NC[C@@H]1CCOc2ccccc21)c1ccc(C#N)cc1 174072314 CARNWIFEDWMJSC-PBHICJAKSA-N 292.382 3.775 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)c1cccc(C#N)n1 301287240 RIDLFGGODNGTFK-UHFFFAOYSA-N 291.276 3.608 30 20 CHED Cc1cccc(C(=O)OCc2cc(C#N)ccc2F)c1C 22132593 KGRRRFZSRKUHFJ-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=CCOc1ccccc1CNc1ccncc1Cl 301504287 ICZRQRSPJAGTLC-UHFFFAOYSA-N 274.751 3.912 30 20 CHED C[C@@H]1CC[C@H](NC(=O)[C@@H](CC#N)c2ccccc2)[C@H](C)C1 1353600789 MVPZZDPWALOUSW-JHNDHUHGSA-N 284.403 3.625 30 20 CHED N#Cc1cccc(NCCc2c[nH]c3ccc(Cl)cc23)n1 301460960 OBUAMUQQQAOWJI-UHFFFAOYSA-N 296.761 3.743 30 20 CHED N#CC1(c2nc(CCCc3ccccc3)no2)CCCC1 177726813 CELFWVBKHXDYQI-UHFFFAOYSA-N 281.359 3.580 30 20 CHED C=CCCC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 173949025 PRVMEUWUXTVXDO-GDBMZVCRSA-N 257.377 3.605 30 20 CHED C=CCCCOC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 303739345 YNIFYGXKMASPGA-SNVBAGLBSA-N 286.730 3.756 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)c1ccccc1 121217653 AZZDCSLIHPCXDZ-OAHLLOKOSA-N 295.357 3.591 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)C[C@H](O)c1ccco1 120771568 QMYCLBBUFYIBSZ-KKUMJFAQSA-N 265.397 3.816 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 180423079 RMTURSPVSJRHCN-GHMZBOCLSA-N 281.758 3.617 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1 212828645 GHXXNPFLVLYLBB-YWEYNIOJSA-N 299.276 3.763 30 20 CHED C=CCOCCCC(=O)Nc1cccc(COC(C)C)c1 79756469 SCKBLKSEIXVQSA-UHFFFAOYSA-N 291.391 3.533 30 20 CHED C[C@@H]1C[C@H](CC(=O)N(CCC#N)CC2CC2)CC(C)(C)C1 505214147 WXJUKEMUSIMJJY-GDBMZVCRSA-N 290.451 3.991 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C1CCC(CC)CC1)C1CC1 508696411 UFFVTEUOVJJXEH-FHERZECASA-N 293.451 3.927 30 20 CHED Cc1cc(C)cc(N(C)Cc2cc(C#N)cs2)c1 507857723 DGXPJWHCGOPYAP-UHFFFAOYSA-N 256.374 3.873 30 20 CHED N#C[C@]1(NC(=O)CCC2CCCC2)CCc2ccccc2C1 183977627 SIPFGCCYPXKYSC-IBGZPJMESA-N 296.414 3.524 30 20 CHED N#Cc1ccncc1NCc1ccc2sccc2c1 357611566 YKGOFYLLALJORN-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CC1(C)CN(c2ccc(C#N)c(C(F)(F)F)c2)CCCO1 315531493 PGQSWBSMKSGGMI-UHFFFAOYSA-N 298.308 3.582 30 20 CHED C[C@H]1CCCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 185703188 SNMDZYQAHCEOAQ-DOTOQJQBSA-N 299.418 3.863 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)CC(F)F 411353859 NOQPOZGOHFHHMU-LBPRGKRZSA-N 294.345 3.588 30 20 CHED Cc1ccc(CSc2nnc(C)c(C)c2C#N)c(C)c1 412985333 FEYZAODFAXNWIP-UHFFFAOYSA-N 283.400 3.874 30 20 CHED C#CCCOC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 185260950 ZEMXYGMQVJTIHW-UHFFFAOYSA-N 286.371 3.551 30 20 CHED Cc1ccc(-c2ccc(CN(C)C[C@@H](C)C#N)o2)cc1 509768468 XAEBTVDHSUNZLT-AWEZNQCLSA-N 268.360 3.847 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncc(CCC)s1 180234690 FGSYQXAPKRYNKP-UHFFFAOYSA-N 264.394 3.803 30 20 CHED C=C(C)COCCNCc1ccc2cc(OC)ccc2c1 125800267 RCGKTAWSOFMPDE-UHFFFAOYSA-N 285.387 3.531 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)nc3ccccc23)c1 36656860 IWSMDYUYKQXGKP-UHFFFAOYSA-N 286.334 3.777 30 20 CHED C=C[C@H](CC(=O)OCC(F)(F)C(F)F)c1ccccc1 122534231 BILCULGXVDREGT-SNVBAGLBSA-N 290.256 3.790 30 20 CHED N#Cc1ccccc1CSc1ccc([N+](=O)[O-])cc1F 185150318 CTOXKOHIQDUWID-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C[C@H](C[C@H](O)c1cccs1)Nc1ccc(C#N)cc1 128936535 RRDWQKBYRZNFDP-RISCZKNCSA-N 272.373 3.544 30 20 CHED N#Cc1cccc(NCc2ccccc2N2CCCC2)c1 37203161 MHGZMYMSYGBOMQ-UHFFFAOYSA-N 277.371 3.771 30 20 CHED C=CC[C@@H](C(=O)N(CC)Cc1ccccn1)c1ccccc1 188491697 JHYBGXJTAIEHBA-GOSISDBHSA-N 294.398 3.790 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)CC1CCCCC1 410998193 KEFLKYQJEHBTEK-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C=C(C)CCSCc1cnn(C)c1C(F)(F)F 507116871 OGYKKMCQTDNVQL-UHFFFAOYSA-N 264.316 3.638 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCC2)cc1 131471529 FUDJGNHABZCZRF-MLGOLLRUSA-N 298.386 3.648 30 20 CHED CN(C)c1cccc([C@@H]2CCCN2CCCCC#N)c1 75838965 BPEHWKYRRVBNKS-KRWDZBQOSA-N 271.408 3.583 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2nc(S)oc2c1 188781858 CMLCPONQVIMCLJ-CQSZACIVSA-N 276.361 3.657 30 20 CHED Cc1ccccc1C[C@@H](C)NC(=O)Nc1cccc(C#N)c1 47338304 DLKXGAVKMODLQM-CQSZACIVSA-N 293.370 3.619 30 20 CHED CC1(C)[C@H]2OCCC[C@H]2[C@H]1/N=C(/O)c1cccc2cc[nH]c12 329620903 MWWQKTDQEAMNEM-IMJJTQAJSA-N 298.386 3.676 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1CCC1 130499754 VLWVRKXMYDBAKZ-AWEZNQCLSA-N 299.418 3.668 30 20 CHED CC(C)[C@@H](C)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416096885 IKZMGGDXDUMRDS-SUMWQHHRSA-N 284.403 3.734 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H](SC)C2)CCC1 191891516 MMUVDTKAIXPNCT-CHWSQXEVSA-N 267.438 3.523 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)CC2CCC2)c1 80185551 FRJXBJIXBXQOLP-UHFFFAOYSA-N 293.366 3.984 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CC1CC(c2ccccc2)C1 410835411 NRMCJTKQEDYPTA-PREGVCBESA-N 284.403 3.721 30 20 CHED COc1cc(OC)c(N[C@@H](C#N)C2CCCCC2)cc1F 133252691 USAMLOZGXGIEJH-AWEZNQCLSA-N 292.354 3.727 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1oc2ccccc2c1C 506773653 RPFLAFDDCYWIKP-SJCJKPOMSA-N 284.359 3.858 30 20 CHED CN(CCCOc1ccc(C#N)cc1)c1ccc(F)cc1 48336638 MVRQUXSBPQXQCA-UHFFFAOYSA-N 284.334 3.603 30 20 CHED CC(C)(C)c1ncc(CN2CCC[C@@](C)(C#N)C2)s1 612407095 YPZYGTNHXWFEMT-HNNXBMFYSA-N 277.437 3.566 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(CCCSCC#N)C1 80629359 DIQPOXVBDDYQPM-XJKSGUPXSA-N 292.423 3.855 30 20 CHED C=C[C@H](CC(=O)N1CCSC[C@H](C)C1)c1ccccc1 191330770 RBOIXSIAYRZXIT-HUUCEWRRSA-N 289.444 3.558 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c(F)c2)CCC1 190370904 BZRGEROMDFWELD-UHFFFAOYSA-N 251.276 3.650 30 20 CHED CC[C@H](/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1)c1nc(C)cs1 328961507 QCSXYRNRRMSRRU-JLLWLGSASA-N 294.420 3.864 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(C(=O)CC)cc1 191796248 SWJSHYQCNYTIIW-MRXNPFEDSA-N 260.333 3.787 30 20 CHED C[C@H]1CCN(CC(O)=Nc2cccc(C#N)c2)CC12CCC2 329104056 CJRSEXUYOHOXKX-AWEZNQCLSA-N 297.402 3.658 30 20 CHED N#CC1(C(=O)OCCCc2ccccc2)CCCCC1 194313108 MTBHSSYXDJNRHI-UHFFFAOYSA-N 271.360 3.636 30 20 CHED N#CCCNC(=O)N[C@@H](CC1CCCC1)c1ccccc1 426450898 OJTFQBCIAGYFJB-INIZCTEOSA-N 285.391 3.521 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@@H]1OCCc2sccc21 426344369 IHPBLLZXNKHVHI-JFILPPLUSA-N 279.449 3.941 30 20 CHED N#Cc1ccc(OCCOc2cccc3ncccc23)cc1 192815665 KUJPASLUUOAITF-UHFFFAOYSA-N 290.322 3.564 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1coc2cc(F)ccc12 337098160 SRTQFDWQWPFRJT-ZDUSSCGKSA-N 275.323 3.585 30 20 CHED N#CC1(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)CCCC1 335916081 GNDWAUIEYNKJSN-UHFFFAOYSA-N 279.343 3.704 30 20 CHED CCCC[C@@H](CC)CC(=O)NCC#Cc1cccc(F)c1 513209337 ASMIWTHZJNSLFW-OAHLLOKOSA-N 289.394 3.900 30 20 CHED C#CCCCC(=O)OCc1ccc2cc(OC)ccc2c1 192117222 YIOHEDUDTMVNGQ-UHFFFAOYSA-N 282.339 3.695 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C#N)c1 81179487 XHOILIGMHIIAQK-XJKSGUPXSA-N 270.376 3.599 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H]2c2ccccc2)cc1 339179813 YPSIFSSCPOZTSI-SFHVURJKSA-N 293.366 3.839 30 20 CHED COc1cc(C)cc(N/C(O)=N/C2CCCCC2)c1C 331116570 DTRBTGOTBMPRLX-UHFFFAOYSA-N 276.380 3.971 30 20 CHED Cc1cccc([C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)c1 333552956 UWYWXLQUGDPXRI-KDOFPFPSSA-N 282.387 3.646 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1S[C@H]1CC[C@@H](C#N)C1 335231963 BSTDMNPVVYTPCX-SCZZXKLOSA-N 297.305 3.756 30 20 CHED C[C@H](c1noc(-c2ccc(C#N)s2)n1)C(C)(C)C 516692963 DEUGROWCZFISFQ-MRVPVSSYSA-N 261.350 3.819 30 20 CHED C=CCC(C)(C)c1nc(-c2ccnc(OC(F)F)c2)no1 426554556 VYTZJYZVDMPACZ-UHFFFAOYSA-N 295.289 3.587 30 20 CHED CC(C)(C#N)CNC(=O)N1CCC[C@@H]1CC1CCCCC1 512787035 DMNDPBXJMUOJPG-OAHLLOKOSA-N 291.439 3.681 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1 337028342 BZEQQYJWTVKJGD-GHMZBOCLSA-N 298.308 3.569 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)cc1 93063521 LHYNBWBFHAUYTR-KRWDZBQOSA-N 294.329 3.505 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C#N)cc2F)C1 336536233 UWNZDHDMRDUJQB-ACJLOTCBSA-N 295.361 3.675 30 20 CHED CCc1nc2cc(N=C(O)N3CC[C@H]4CCC[C@@H]43)ccc2o1 330256993 QKIVEVSNWICQBI-RISCZKNCSA-N 299.374 3.810 30 20 CHED N#Cc1csc(CN[C@H]2CCCc3ccc(F)cc32)c1 93116403 FAWJDPVORNZTNA-INIZCTEOSA-N 286.375 3.926 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1Cl 334228064 GNYZSRMEMQLLCQ-UHFFFAOYSA-N 299.761 3.814 30 20 CHED C=C(C)C/N=C(/O)c1c(C)nc(C(C)(C)C)nc1SC 331212694 SLICVWUBKJNRMM-UHFFFAOYSA-N 293.436 3.685 30 20 CHED C=CC1CCN(Cc2cc3c(F)cccc3[nH]2)CC1 438110702 RAXWNROUKDLREL-UHFFFAOYSA-N 258.340 3.705 30 20 CHED Cc1nnc(SC[C@H]2CCCCC2(F)F)c(C#N)c1C 295685081 HPMFYAGDLDOIQN-LLVKDONJSA-N 297.374 3.883 30 20 CHED C[C@H]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 334967344 KBMNGAMBIRXHHN-JQWIXIFHSA-N 291.782 3.716 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H](c2cccnc2)C1 335419776 XQGBPHNPMJELIH-KDOFPFPSSA-N 277.371 3.504 30 20 CHED CCOCCNc1c(C#N)cnc2c(Cl)cc(C)cc12 338488999 JCWNAPOXTMTWLK-UHFFFAOYSA-N 289.766 3.517 30 20 CHED N#CC1(CN2CCC(c3ncccc3Cl)CC2)CCC1 334583180 XTVBOBIDTBBCKW-UHFFFAOYSA-N 289.810 3.608 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 431390217 GZZZKVQCUOXWOD-SNVBAGLBSA-N 278.421 3.809 30 20 CHED N#Cc1ccc(N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)nc1 339139136 AUSZEZIVWKCDIM-HJWJTTGWSA-N 281.403 3.748 30 20 CHED CN(CCC#N)CCCOc1cccc(C(C)(C)C)c1 435030993 XMLMIMSGIDPXFD-UHFFFAOYSA-N 274.408 3.598 30 20 CHED C=C(C)CN1CCC(NCc2cc(C)c(C)cc2C)CC1 236689619 QLYHWYCQRDAONZ-UHFFFAOYSA-N 286.463 3.742 30 20 CHED Cc1ccc(C#N)c(N2CCc3cc(Cl)ccc32)n1 343271061 ADICOMODYZBTSJ-UHFFFAOYSA-N 269.735 3.609 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@H]2CCCC[C@@H]2C)no1 346399819 FSLYBWZBKFLIIR-XUXIUFHCSA-N 276.380 3.812 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](Cc1ccccc1)C(C)C 436314376 YVGOQRQCHWQVOX-OTWHNJEPSA-N 287.447 3.825 30 20 CHED Cc1ccc(C#N)c(Nc2cccc(OCCCC#N)c2)n1 341559257 QDKKBEVEUBDVNM-UHFFFAOYSA-N 292.342 3.688 30 20 CHED N#Cc1ccc(NCc2cc3ccccc3o2)cc1[N+](=O)[O-] 521701103 ADVMVJQSNSBBDY-UHFFFAOYSA-N 293.282 3.825 30 20 CHED C=CC[C@H](C)N[C@H](c1ccc(F)cc1)c1cccnc1 346620435 IJFFVMFTJLYKBX-SUMWQHHRSA-N 270.351 3.864 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1cccc(C#N)c1F 341152995 BXOLECPXJBBBLN-INIZCTEOSA-N 283.350 3.675 30 20 CHED CC(C)CCN(CCC(C)C)C(=O)NCC1(CC#N)CC1 431128573 VYPJCAGKDZULIM-UHFFFAOYSA-N 293.455 3.784 30 20 CHED C[C@@H]1C[C@H](NCCCC#N)C[C@@H](c2ccccc2)C1 346332886 MPFQGCIWYOXYRV-XIRDDKMYSA-N 256.393 3.852 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCOc2c(F)cccc2C1 434624967 SBBUUDLFNZMNCR-ZDUSSCGKSA-N 296.345 3.653 30 20 CHED CC[C@H](CNc1nc(C)ccc1C#N)Oc1ccccc1F 346840752 SLFUMWDFNGFUIN-CQSZACIVSA-N 299.349 3.670 30 20 CHED CCC[C@H](C)CC(=O)Nc1scc(C)c1C#N 344886282 CXWLBIMEUXCOHU-VIFPVBQESA-N 250.367 3.693 30 20 CHED N#Cc1cccc(NC(=O)NCCCCc2ccccc2)c1 603645314 FKYYBQVTDFLPAN-UHFFFAOYSA-N 293.370 3.703 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1C 435158181 IQTCEMUHLGPUMG-CKEIUWERSA-N 296.414 3.531 30 20 CHED C=CC[C@@H](C)Nc1nc(C)nc2sc3c(c12)CCC3 342519248 OQFHTDVKNHJRAW-SECBINFHSA-N 273.405 3.865 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccccc1 255135563 LNWQKRWPUVZALG-KHPPLWFESA-N 268.360 3.977 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccccc2)C(F)F)c1 433046679 VJSCNGNINAKJDK-HNNXBMFYSA-N 272.298 3.654 30 20 CHED CSc1cc(C)ccc1CNc1cc(C)nc(C#N)c1 342583031 UJJGZLSRJJGLGX-UHFFFAOYSA-N 283.400 3.904 30 20 CHED C=CCOc1ccc(C(=O)NCCCC(C)(C)C)cc1 606873845 WGRZJFFYYSWSIY-UHFFFAOYSA-N 275.392 3.808 30 20 CHED CCC(=O)c1cccc(N=Cc2ccccc2O)c1 255396311 ZDSVHTOQZSFJBF-UHFFFAOYSA-N 253.301 3.736 30 20 CHED CC[C@H](C)n1nc(C(=O)Nc2cc(C#N)ccc2C)cc1C 349195802 WXBBXRZXLDIOEV-LBPRGKRZSA-N 296.374 3.595 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N=c1ccc(C#N)c[nH]1 524488864 BWXWIUSUHDCUNW-MRXNPFEDSA-N 299.418 3.556 30 20 CHED Cc1cc(C#N)cc(NC23CC(c4ccccc4)(C2)C3)n1 603421729 ZNMODWUCIGFSJM-UHFFFAOYSA-N 275.355 3.548 30 20 CHED C=C(C)COc1cc(CN[C@H]2CC2(C)C)ccc1OC 340420657 YQKLKOZOQMEAMK-INIZCTEOSA-N 275.392 3.538 30 20 CHED COc1ccccc1Sc1c(C#N)nnc2ccccc12 525365825 CUWJMKZBMYLJOE-UHFFFAOYSA-N 293.351 3.661 30 20 CHED C=CCCN(C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 342716405 DKEOSVVOAQZSRZ-ZDUSSCGKSA-N 271.364 3.614 30 20 CHED CN(C)Cc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1Cl 442873353 OTQBHRSUKREADM-YPMHNXCESA-N 277.799 3.506 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CC(C)(C)Oc2cc(F)ccc21 602570058 GZAUENYOGPDLRF-SWLSCSKDSA-N 290.382 3.957 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCO[C@@H]1c1cccnc1 344243444 JFAXPJKHNVIYNH-GVDBMIGSSA-N 274.408 3.636 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)CC1)c1ccc(C#N)cc1 443107296 YJYJIVUKZFGIMT-JKIFEVAISA-N 299.418 3.887 30 20 CHED Cc1cc(CN2CCC=C(c3ccco3)C2)ccc1C#N 352545078 VVKBLJYWOUVBGJ-UHFFFAOYSA-N 278.355 3.749 30 20 CHED C=CCC1(CNCc2cnn(C(C)C)c2)CCCC1 449607495 XRNBHVZWWTYMID-UHFFFAOYSA-N 261.413 3.690 30 20 CHED CC(=O)c1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 359885117 WWXCXZKZJOAWFV-LBPRGKRZSA-N 292.338 3.503 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](c1ccccc1)C1CC1 538612562 XSOVAPRDRLNSRZ-JKSUJKDBSA-N 272.392 3.792 30 20 CHED Cc1ccc2c(c1)nc(CNc1ccc(C#N)cc1F)n2C 357449822 CJWYSNAWLJRFDD-UHFFFAOYSA-N 294.333 3.505 30 20 CHED CC(C)COc1cccc(CN[C@H]2CC[C@@H](CC#N)C2)c1 449446732 SKIPRAGYYPTSSH-RDJZCZTQSA-N 286.419 3.893 30 20 CHED C[C@H](C[S@](=O)Cc1ccc(CC#N)cc1)c1ccccc1 359435590 YOQIFGUYDXUKFB-VFNWGFHPSA-N 297.423 3.805 30 20 CHED C=CCCCC(=O)Nc1cc(NC(=O)CC)ccc1C 359066377 IEJIXVWOOZENLM-UHFFFAOYSA-N 274.364 3.638 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@H](C)SC 533803030 RAVHYCSXNWJESG-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED N#Cc1ccc(CNC(=O)CC2CCCCC2)cc1Cl 619766918 KXCSBWBRJDYQLB-UHFFFAOYSA-N 290.794 3.798 30 20 CHED C[C@H](NC(=O)C1CCC(C)(C)CC1)c1cccc(C#N)c1 610867794 IPJXBOILRWLHMH-ZDUSSCGKSA-N 284.403 3.952 30 20 CHED CC[C@H](CN[C@H]1CC[C@H](C#N)C1)Oc1ccccc1Cl 442783767 NYKJLOIBSADFCP-MELADBBJSA-N 292.810 3.779 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cccc(OC(C)(C)C)n1 539047109 RVVVWGBZZBNUEM-UONOGXRCSA-N 276.424 3.949 30 20 CHED C[C@@H](N[C@H](C)c1nc2c(s1)CCC2)c1ccc(C#N)cc1 355131023 ZDEMHVAOVVXKJL-VXGBXAGGSA-N 297.427 3.915 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1ccc(CC#N)cc1 534700547 JKIXFLSUXYNNPJ-CYBMUJFWSA-N 272.392 3.697 30 20 CHED COc1cc(C)ccc1NC1CCC(C)(C#N)CC1 449052847 ZYVUAZJCWFAEMD-UHFFFAOYSA-N 258.365 3.888 30 20 CHED Cc1cc(C)c(CC(=O)Nc2cccc(C#N)c2)c(C)c1 538010488 GPEYMRDGCHBXET-UHFFFAOYSA-N 278.355 3.665 30 20 CHED C=CCCC1(C(=O)NCCc2ccc(F)c(F)c2F)CC1 356711305 LZBBSMSQTDNLGZ-UHFFFAOYSA-N 297.320 3.509 30 20 CHED C=C(CNC(=O)Nc1cccc(SC)n1)c1ccccc1 353122598 FKJFYMUQZJLAQC-UHFFFAOYSA-N 299.399 3.638 30 20 CHED C=CCn1cccc1C(=O)N1[C@H]2CC[C@H]1c1ccccc12 357948339 RWPGWGYRVJHAMU-HOTGVXAUSA-N 278.355 3.706 30 20 CHED C[C@H](CCC1CC1)N[C@H]1CCc2cc(C#N)ccc21 618802927 GHPJHGSQVLHCDN-PXAZEXFGSA-N 254.377 3.714 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(C)cc(C)c1)OCC 533704957 WUVOLCPTSDIJAQ-OAHLLOKOSA-N 261.365 3.613 30 20 CHED C=CCC1(C(=O)N(C)CCc2ccccc2O)CCCC1 450570681 ZBVJUPLFLULNAV-UHFFFAOYSA-N 287.403 3.530 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@](C)(C#N)C1 612120885 VHDIMWLDGGCHQN-HLLBOEOZSA-N 291.439 3.681 30 20 CHED C=CCCCSCC(=O)N[C@H](C)c1cccs1 265439166 UMFMIZJALKINES-LLVKDONJSA-N 269.435 3.625 30 20 CHED CCC(CC)n1ccc(CN[C@@H](C)c2cccc(C#N)c2)n1 611386035 AVNWKVRAIOBUOZ-AWEZNQCLSA-N 296.418 3.967 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1cccc(C#N)c1 610400250 QVOSXYXWAAFEQG-QDEZUTFSSA-N 299.418 3.743 30 20 CHED CCc1ccc([C@H](NC2CCN(CC#N)CC2)C(C)C)cc1 611366195 JBVMDHXCYVDTNL-LJQANCHMSA-N 299.462 3.524 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccc(-c3cccs3)cc2)C1 618308065 JNPSXQAIQLRPSO-INIZCTEOSA-N 286.375 3.853 30 20 CHED CC(C)(CC#N)CN[C@H]1CCC[C@H](C(F)(F)F)C1 459727571 HENGBTCRTMYHLJ-QWRGUYRKSA-N 262.319 3.637 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@@](C)(C#N)C1 612132360 KYUISKLVDPJIPD-CJNGLKHVSA-N 279.428 3.536 30 20 CHED C[C@@H](CCCc1cccnc1)NC1CCC(C)(C#N)CC1 459645801 HNPKDUZLZDPSAZ-ZLPCBKJTSA-N 285.435 3.855 30 20 CHED CC[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccs1 455283790 PWCNNWSDEUBNKS-AVGNSLFASA-N 291.420 3.581 30 20 CHED CC[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)C 543649321 WLZMCFDWQBQKIU-ZDUSSCGKSA-N 278.783 3.766 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3ccccc3F)C2)CCC1 277240028 KKDSXSHSOFIBFV-CQSZACIVSA-N 287.378 3.888 30 20 CHED C=CCC1(C(=O)N(C)CC(C)(C)C#N)CCCCC1 452148206 PDRMBQOSPNIOBK-UHFFFAOYSA-N 262.397 3.521 30 20 CHED CC(C)[C@H](C)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 363639479 XZXCRYMLTKCAHO-USXIJHARSA-N 284.403 3.577 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 451562843 JWCBWNPUAXWYBZ-INIZCTEOSA-N 297.320 3.574 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCCc3ccccc3C2)c1 273216274 OKTHDGARPCVHCB-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@]1(C)CC=CCC1 458621536 ORIMCNQMGSERIR-ZFWWWQNUSA-N 250.386 3.529 30 20 CHED C=C(CC)CNC(=O)Nc1cc(C)c(OC)cc1Cl 455428756 HMMWHKNYRLYJGS-UHFFFAOYSA-N 282.771 3.745 30 20 CHED C=C(C)CNC(=O)Nc1ccc(C(F)(F)F)c(F)c1 626621718 BUQLJCWRMHKGRT-UHFFFAOYSA-N 276.233 3.542 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 275192600 KOWBPLIITFHTFD-UHFFFAOYSA-N 289.162 3.652 30 20 CHED Cc1ccnc(NCc2ccc([C@@H]3C[C@H]3C)o2)c1C#N 541349695 YXTGLSMBWVLUMQ-DGCLKSJQSA-N 267.332 3.590 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CCC)C(C)(C)C 453211545 KUHPPKWKZNHJSI-KFWWJZLASA-N 253.430 3.772 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2ccc(Br)cn2)C1 278526382 HNRNRYQNSPGTGF-PSASIEDQSA-N 283.194 3.628 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)c1cccc(F)c1F)OCC 270956212 WLZRMKDYDOGABS-BXUZGUMPSA-N 297.345 3.513 30 20 CHED CCc1ccccc1CNC1(c2cccc(C#N)c2)CC1 275551756 CIYSWLNDIAVOBO-UHFFFAOYSA-N 276.383 3.900 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CC1CCCCC1 469941062 FTJKAGZUNNIKCY-UHFFFAOYSA-N 285.391 3.899 30 20 CHED C=CCCOCC(=O)Nc1cc(C(C)(C)C)ccc1OC 620223982 JKADSNBMUNUHLO-UHFFFAOYSA-N 291.391 3.524 30 20 CHED C=CCCCCNC(=O)Cc1coc2cc(C)ccc12 546017757 DFJSHUJHKJNENO-UHFFFAOYSA-N 271.360 3.756 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc2nc(C)ccc2c1 280543023 DBQAHOZRGNUIGT-PKOBYXMFSA-N 296.414 3.614 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)C1(C)C 463487467 WKDSFVMHGUHJJV-CHWSQXEVSA-N 293.798 3.611 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H]1CCOc2ccc(Cl)cc21 374193268 KLJSUHYYYDUZJY-OLZOCXBDSA-N 293.794 3.677 30 20 CHED N#CCCCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 286621458 SBCWOAYADHTVHS-AWEZNQCLSA-N 298.308 3.930 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1sccc1Cl 285684279 RHFYIEIUCAJPDL-UHFFFAOYSA-N 284.812 3.803 30 20 CHED C=CCC1(c2nc(Cc3ccc(C)c(OC)c3)no2)CCC1 554789817 QTQZCIFKINEGCF-UHFFFAOYSA-N 298.386 3.975 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 376098191 AJWQEEXDUOLBMB-YSVLISHTSA-N 288.366 3.518 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(C#N)c1)CO2 376164688 FXRQEAQRPRZOBE-SUMWQHHRSA-N 278.355 3.651 30 20 CHED C=CCCN(C)Cc1ccc2ccc(F)c(F)c2n1 639091101 LVEWJIWYYLOKBS-UHFFFAOYSA-N 262.303 3.521 30 20 CHED CN(Cc1ccc(OCC#N)cc1)C1CCC(F)(F)CC1 286967498 NSOMUIQKHMMYQF-UHFFFAOYSA-N 294.345 3.599 30 20 CHED C=C1CC(C)(C(=O)Nc2ccc3oc(CC)nc3c2)C1 630782107 OSTZOVNCSCRSME-UHFFFAOYSA-N 270.332 3.685 30 20 CHED C=CCC[C@H](NCC1(CCOC)CC1)c1ccco1 286089891 LZLUCULHFZYUQK-AWEZNQCLSA-N 263.381 3.693 30 20 CHED C=C(C)CCc1noc(-c2cc3nc(C)ccc3o2)n1 284995810 CSRGBWHZLORUDL-UHFFFAOYSA-N 269.304 3.695 30 20 CHED CCCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](C)CC 284155660 FLKDMHBNCXTMJV-LBPRGKRZSA-N 276.355 3.738 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1ccc(F)c2ccccc12 554742040 APTLWTNDRXAVTD-KGLIPLIRSA-N 287.378 3.957 30 20 CHED C=CCN1C(=O)c2ccccc2NC12C[C@H](C)C[C@@H](C)C2 639405077 SGQMTHHKVJXNCW-ZIAGYGMSSA-N 284.403 3.893 30 20 CHED C[C@H]1CCC[C@H]1CNC1CCN(c2ccc(C#N)cc2)CC1 552260636 LLCRSLKWAUWGRB-RDJZCZTQSA-N 297.446 3.553 30 20 CHED CCc1ccc(NC(=O)N2CCc3ccc(C#N)cc32)cc1 479671373 GKERHPUNTZCFRC-UHFFFAOYSA-N 291.354 3.715 30 20 CHED CCCCCCCCCC(=O)NC[C@H]1CCOC[C@H]1C 804616455 FBZIXVKOTYKAHQ-HZPDHXFCSA-N 283.456 3.916 30 20 CHED C=C(C)[C@@H](NC[C@H]1CCCOC1)c1ccc(F)c(F)c1 479409951 KUWNZDVHXHHFJY-MLGOLLRUSA-N 281.346 3.598 30 20 CHED C[C@@H](C#N)OCCN1CCC[C@H]1c1cccc2ccccc12 801916221 ROKNNIICKWJOTC-KXBFYZLASA-N 294.398 3.905 30 20 CHED C#CC[C@H](NC(=O)c1cc[nH]c1C(C)C)c1ccccc1 802886983 TVHOJEMWPJXQTK-INIZCTEOSA-N 280.371 3.633 30 20 CHED CCCCCCC(=O)OCCCC1(C#N)CCOCC1 800138097 CFUBMQHIHLRYAK-UHFFFAOYSA-N 281.396 3.601 30 20 CHED C#C[C@H](NC(=O)NCc1c(C)oc2ccccc12)C(C)(C)C 808291374 JZKPHLKQYVWBRU-INIZCTEOSA-N 298.386 3.588 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(-c3cc[nH]n3)cc2)no1 809295048 GPKJVTSPFIVKEB-QGZVFWFLSA-N 294.358 3.980 30 20 CHED C=C[C@H](CC(=O)Nc1cccc2c1CCO2)c1ccccc1 477756374 VRAMLXGDSQVHKZ-CQSZACIVSA-N 293.366 3.920 30 20 CHED CCCN(CC#N)Cc1c(Cl)cccc1CC 475569161 PGXVOJDDGLYLNR-UHFFFAOYSA-N 250.773 3.638 30 20 CHED CC#CCCNC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 564040302 NOVDWSRHMDPZGZ-HNNXBMFYSA-N 284.403 3.759 30 20 CHED N#CC1(CNC(=O)Nc2ccc(C3CCC3)cc2)CCC1 563544784 TWEQCUGFEVNJSC-UHFFFAOYSA-N 283.375 3.769 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cscc1Cl 640781489 LZTKQQSJCUVZNZ-QMMMGPOBSA-N 258.774 3.878 30 20 CHED C[C@@H]1C(=NNc2ccccc2Cl)CC[C@@H]1CC(=O)O 814690971 HHKGXJATMOSLFU-VHSXEESVSA-N 280.755 3.629 30 20 CHED C=CCN(CC=C)C(=O)NC[C@@H](CC)CCCC 643210000 KRRGTKPUPOQXCY-AWEZNQCLSA-N 252.402 3.586 30 20 CHED C=CCN(CCOCC(F)(F)F)CC1CCCCC1 484691041 RJHDJPNNCVFLNW-UHFFFAOYSA-N 279.346 3.634 30 20 CHED COc1ccc(C(C)=NNc2ccccc2F)c(F)c1 812459293 VXKMETHTOBQJQU-UHFFFAOYSA-N 276.286 3.810 30 20 CHED Clc1ccc(C=NNc2cccc3cnccc23)o1 814835802 CHZAKZCKLRDOPG-UHFFFAOYSA-N 271.707 3.927 30 20 CHED CCOc1ccc(NN=Cc2csc([N+](=O)[O-])c2)cc1 814985212 XBCFWFXVUPJNOL-UHFFFAOYSA-N 291.332 3.501 30 20 CHED Brc1ccc2c(c1)C(=NOC1CCC1)CC2 812236486 NBNVVKQTPMBDJZ-UHFFFAOYSA-N 280.165 3.669 30 20 CHED CCn1c(C(C)=NOCCC2CC2)nc2ccccc21 814246254 YECYQCNLOGHHGI-UHFFFAOYSA-N 271.364 3.597 30 20 CHED C(=NNCCCOc1ccccc1)c1ccc2[nH]ccc2c1 811641574 HPTWWCRMFIPWCI-UHFFFAOYSA-N 293.370 3.561 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C)C1CC1)c1ccc(Cl)cc1 811949350 VZPCHZODZSWBKC-ABAIWWIYSA-N 275.779 3.567 30 20 CHED C#C[C@H](NC(=O)NC1(C)CCCC1)c1ccc(Cl)cc1 812028489 JVHUMUPNEIWTNH-AWEZNQCLSA-N 290.794 3.646 30 20 CHED C=CCc1cc(CN2CC[C@H](C)[C@@H]2CC)cc(OC)c1O 482496228 OBZZRMXSMBBULM-BBRMVZONSA-N 289.419 3.750 30 20 CHED C=CCn1c(CC)nnc1N(CC(=C)C)Cc1ccccc1 570554900 KQWQABDTGZRVFL-UHFFFAOYSA-N 296.418 3.609 30 20 CHED C=CCN(CC=C)Cc1ccc(Cl)cc1OC 482642086 MBOJJCHUJMLFHC-UHFFFAOYSA-N 251.757 3.523 30 20 CHED C#C[C@H](NC(=O)c1cc2cc(C)ccc2s1)C(C)C 811491367 IUZUSQJDMVYOFQ-ZDUSSCGKSA-N 271.385 3.597 30 20 CHED C=CC[C@H](C(=O)NC1CC(C(F)(F)F)C1)c1ccccc1 571191353 UVRBFZOJMDIRBZ-RUXDESIVSA-N 297.320 3.803 30 20 CHED CC(=NNc1ccccc1F)c1ccc(F)cc1F 812459835 GTWFLDJUJOIOJF-UHFFFAOYSA-N 264.250 3.940 30 20 CHED C=CCN(c1nnc(-c2ccccc2C)n1CC=C)C1CC1 573142491 YDLRUXGGCHXGPV-UHFFFAOYSA-N 294.402 3.594 30 20 CHED CCOc1ccc(NN=C(CC)c2ccc(F)cn2)cc1 814983819 FVTIJJYBSBVGPK-UHFFFAOYSA-N 287.338 3.846 30 20 CHED N#CCC[C@@H](C#N)CN[C@@H](CC1CCC1)c1ccccc1 573834934 IDUSCKLBOJICBN-WMZOPIPTSA-N 281.403 3.951 30 20 CHED COc1ccc([C@H](C)NCc2ccc(C#N)c(C)c2)cc1 488135347 DIDKLURBAJAPMN-AWEZNQCLSA-N 280.371 3.726 30 20 CHED CCC(=NOC/C=C\Cl)c1ccc(Cl)c(N)c1 814933928 FLPFJDCTGCAYFC-DSWLTXPOSA-N 273.163 3.805 30 20 CHED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1cc[nH]n1 814769225 KHVIISRRCBINBO-UHFFFAOYSA-N 293.374 3.719 30 20 CHED C=CCC(C)(C)CNC(=O)CCCc1ccccc1 490015817 WACCMCASJILBPJ-UHFFFAOYSA-N 259.393 3.728 30 20 CHED N#Cc1cc(N[C@@H](c2cccc(F)c2)C2CCCC2)ncn1 578954925 MGLCECMLMYJLSJ-QGZVFWFLSA-N 296.349 3.831 30 20 CHED C=CCOCCCC(=O)Nc1cccc(O[C@@H](C)CC)c1 497634267 YFPHPRYUMSZOQN-AWEZNQCLSA-N 291.391 3.785 30 20 CHED Cc1occc1-c1noc(-c2ccc(C#N)c(Cl)c2)n1 573049659 ZAVFUOFMRQJDKD-UHFFFAOYSA-N 285.690 3.830 30 20 CHED C#C[C@@H](NC(=O)N(C1CC1)[C@H](C)C(C)C)c1ccccc1 820599556 NRELNYQHCBSAQG-RHSMWYFYSA-N 284.403 3.579 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@H](C)CC(C)C 727660771 CLPVCVWXAGGTAM-CYBMUJFWSA-N 289.375 3.935 30 20 CHED N#Cc1cccc(Cl)c1N1CCC2(CCC2)CC1 588075890 VRNKUBJMSLCMNT-UHFFFAOYSA-N 260.768 3.982 30 20 CHED CC(C)c1scnc1NC(=O)CCCCCC#N 589127768 MJDHIHQGQDQKGL-UHFFFAOYSA-N 265.382 3.679 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2ccccc2CC)cc1 583406278 XYIGODHSVBYKLW-SFHVURJKSA-N 292.382 3.806 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1ccoc1C(C)C 584326512 FYEVVGHSCWVAFM-UHFFFAOYSA-N 284.315 3.536 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc3oncc3c2)c(F)c1 821028225 QRKCTOPMXQXERM-KXFIGUGUSA-N 297.285 3.872 30 20 CHED C=CCN(C(=O)Nc1c(C)cc(C)cc1C)[C@@H](C)COC 665128957 UQHDJQBIVFDDHP-HNNXBMFYSA-N 290.407 3.667 30 20 CHED CCCCCCCC(=O)Oc1cccc(C(=O)OC)c1 827705699 RTBKDDPAWZOPTL-UHFFFAOYSA-N 278.348 3.739 30 20 CHED Cc1nc([C@@H](C)NCC(C)(C)CCC#N)c(C)s1 588231630 ASBJEHLDASMNBJ-SNVBAGLBSA-N 265.426 3.741 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cccc(SCC)c1 494773130 FRAYDTLWHGYMDH-UHFFFAOYSA-N 292.448 3.906 30 20 CHED CC(C)c1ccc(C(=O)N(O)Cc2ccc(F)cc2)cc1 901379277 TZRIJHAWQUZQDW-UHFFFAOYSA-N 287.334 3.981 30 20 CHED c1ccc(-c2nnc(NN=C3CCCC34CCC4)s2)nc1 834973888 SDTGLGUCVUOURO-UHFFFAOYSA-N 299.403 3.722 30 20 CHED C=CCCCCCNc1ccc(C(=O)NC(C)C)cc1 583004510 NPUJPIYMSOVRQH-UHFFFAOYSA-N 274.408 3.983 30 20 CHED C=CCCC(=O)O[C@@H]1CCc2c(Cl)cccc21 733699418 RSKFCVFJRITLOX-CYBMUJFWSA-N 250.725 3.837 30 20 CHED C/C(Cl)=C/C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 900633970 GZXNMMKUCHZONK-FPAJZGIOSA-N 290.794 3.808 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2cccc([N+](=O)[O-])c2)o1 732761884 PEHPBGSFXKBRAB-HZMBPMFUSA-N 285.303 3.757 30 20 CHED Cn1c(NN=C2CC3(CCCC3)C2)nnc1-c1ccccc1 901169337 ALELRDWDMRDOAL-UHFFFAOYSA-N 295.390 3.604 30 20 CHED CCc1ncc(CNc2cc(C#N)ccc2OC(C)C)o1 901374712 BEKJJZACCAQLRX-UHFFFAOYSA-N 285.347 3.508 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1ccc2c(c1)CCO2 834871531 QSEKFPNRSDMHTN-CLTKARDFSA-N 268.287 3.657 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccsc2C(F)F)C1 905930632 ZFAPBNSZNFRBJR-DTWKUNHWSA-N 285.315 3.925 30 20 CHED C[C@H](OC(=O)CC[C@@H]1CCCCO1)c1cccc(C#N)c1 732501899 FDCCUTTYAAXACS-BBRMVZONSA-N 287.359 3.512 30 20 CHED Cc1c(Cl)cnc(N2CCC3(CCC3)CC2)c1C#N 588075800 CBICWNAPGZCQIO-UHFFFAOYSA-N 275.783 3.686 30 20 CHED O=C1/C(=C/c2nc3c(s2)CCCC3)Cc2cccc(O)c21 834444535 GKGQMMUCSHMZOV-PKNBQFBNSA-N 297.379 3.550 30 20 CHED CC(=NOC(C)C)c1ccc(Cl)c(Cl)c1O 834999447 BRLWIDQEXOJNAT-UHFFFAOYSA-N 262.136 3.848 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1ncc(Cl)n1C)C2=O 834434987 ZBAHYIAMDQWTIJ-BZPKPHBRSA-N 286.762 3.765 30 20 CHED CSCc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839042651 FYBATKVQZROTBZ-DZGCQCFKSA-N 289.400 3.789 30 20 CHED CCC[C@@H](NCc1ccc(OCC#N)cc1)C(C)(C)C 831170969 ZZIIMHHAYVSFIX-MRXNPFEDSA-N 274.408 3.893 30 20 CHED C=C[C@@H](OC(=O)c1cccc(Cn2ccnc2)c1)C(C)(C)C 835392015 UQNPBTHUEWWTJM-MRXNPFEDSA-N 298.386 3.689 30 20 CHED C[C@H](C#N)N(CCCSCc1ccccc1)C1CC1 595713795 WSPZNRBAWXHBDG-CQSZACIVSA-N 274.433 3.686 30 20 CHED C=CCC1(C(=O)OCc2nc(C(C)C)no2)CCCCC1 838151465 HVIKRLMJKGJLPO-UHFFFAOYSA-N 292.379 3.763 30 20 CHED CCOc1cccc(/C=N\[C@@H]2C[C@@H]2Cc2ccccc2)c1O 741463614 HINGMIAILOUCKB-FQNYJXRJSA-N 295.382 3.841 30 20 CHED COCCOc1ccc(-c2ccc([C@H](C#N)OC)cc2)cc1 844231767 WAECYICUTOROTC-SFHVURJKSA-N 297.354 3.590 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 590673087 OHSRLIVTHSNGEB-BJJXKVORSA-N 270.376 3.562 30 20 CHED C=C[C@H](C)ONC(=O)N(CCC)[C@@H]1CCc2ccccc21 845633949 PYIYAGYKOZQTLO-XJKSGUPXSA-N 288.391 3.602 30 20 CHED Cn1c(NN=CC2CCCCCC2)nc2ccccc21 741839980 ZOPWCBAJXOWXHP-UHFFFAOYSA-N 270.380 3.941 30 20 CHED C=CCC(C)(C)CNC(=O)CC1(C#N)CCCCC1 597699922 UULQQSHQONDGBO-UHFFFAOYSA-N 262.397 3.569 30 20 CHED CC1(C)CCC[C@@H](C=NNc2ccc(CC(=O)O)cc2)C1 848415563 ONPTYOHROQEIQC-CQSZACIVSA-N 288.391 3.928 30 20 CHED COc1cccc(C[S@@](=O)CCC(C)(C)C#N)c1Cl 594681554 HQTDHQZTBOFEKX-IBGZPJMESA-N 299.823 3.537 30 20 CHED Cc1ccc(C=NNc2ncnc3sc4c(c23)CCC4)o1 916310481 XFOMZKYCTTYELN-UHFFFAOYSA-N 298.371 3.527 30 20 CHED COc1ccc2ccccc2c1C=NNCc1ccccc1 916344395 UTSPHZJWJXGVMX-UHFFFAOYSA-N 290.366 3.972 30 20 CHED Cc1ccoc1C=NNc1ccc(Cl)c(F)c1 747635806 PTRHQGGSNRSBHU-UHFFFAOYSA-N 252.676 3.827 30 20 CHED C=CCN(Cc1ccc2oc(C(=O)OC)cc2c1)C(C)C 741777061 JINLKVNHZNKOGF-UHFFFAOYSA-N 287.359 3.616 30 20 CHED CC(C)c1cccc(NC(=N)NCC#Cc2ccccc2)c1 849099985 VJLSGRLVEFJOKZ-UHFFFAOYSA-N 291.398 3.798 30 20 CHED C=CCCCNc1cc2c(cc1Br)OCCO2 740873129 QZAUQFCDTCUVMJ-UHFFFAOYSA-N 298.180 3.598 30 20 CHED CCCN(CCC)c1ccc(NC(=O)[C@@H](C#N)CC)cc1 846480548 BORVKCWOLCIARC-CQSZACIVSA-N 287.407 3.801 30 20 CHED CCCCCCCCCNC1CCN([C@H]2CCOC2)CC1 848523206 ZIJLLUNQLCMBIO-SFHVURJKSA-N 296.499 3.580 30 20 CHED Clc1ccc2c(c1)CCC2=NNc1ccc(Cl)nn1 743420813 IOTJXHUHQUIWFG-UHFFFAOYSA-N 293.157 3.546 30 20 CHED CCCCC[C@H](C)CC(=O)N[C@@H](C#N)CC(C)C 742617558 LYRNNRUVPXAKIB-UONOGXRCSA-N 252.402 3.647 30 20 CHED Cc1cc(CCCC(=O)Nc2cccc(C#N)n2)c(C)s1 592661644 KFJZIOGYGWRXEF-UHFFFAOYSA-N 299.399 3.593 30 20 CHED C=C(C)CONC(=O)Nc1ccc(C(F)(F)F)c(C)c1 844547906 BJVXKGOWQUIZOT-UHFFFAOYSA-N 288.269 3.643 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](C)c2cccc(OC)c2)c1 917558769 XXPURGGPRSWAMD-QXGSTRBFSA-N 299.370 3.980 30 20 CHED CC1(C)CN(Cc2ccccc2C#N)[C@@H]1c1ccncc1 590372124 WNZHLRLXBBEQJU-QGZVFWFLSA-N 277.371 3.536 30 20 CHED C[C@@H](OC(=O)c1ccc2c(c1)COC2)c1ccc(C#N)cc1 748683279 BMYHMNYZPOLILD-GFCCVEGCSA-N 293.322 3.506 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCc2ccccc2C1 682381322 VLEUXNDARDABRY-RDTXWAMCSA-N 271.404 3.510 30 20 CHED N#Cc1ccc(CCNC2CCc3ccccc3CC2)cc1 595055718 IBVXRFSEPMMWLH-UHFFFAOYSA-N 290.410 3.638 30 20 CHED CCN(C[C@@H](O)CC(C)(C)C#N)c1cccc2ccccc12 598628222 MCBLZVDGLQBFND-INIZCTEOSA-N 296.414 3.967 30 20 CHED CCCOc1ccc(COC(=O)c2ccc(C#N)o2)c(C)c1 847917677 XKKGCLQTZYNJQS-UHFFFAOYSA-N 299.326 3.606 30 20 CHED CC(=NNc1cccc(Cl)c1)c1cnc(C)nc1C 741451037 ASLHNTGKALUGDN-UHFFFAOYSA-N 274.755 3.583 30 20 CHED CC(C[C@H]1CCCC(=O)N1)=NNc1ccc(C(C)C)cc1 841643418 NBSHKHJDGPXODM-MRXNPFEDSA-N 287.407 3.657 30 20 CHED COc1ccc(O)c(/C=N/C[C@H](C)Oc2ccccc2C)c1 741842004 DJYDOXSPCAFRAJ-BXUJETTOSA-N 299.370 3.596 30 20 CHED CCCCCC[C@@H](CC)C(=O)NCC1(C#N)CCC1 841466774 FUXUVLLKZCQOOI-CQSZACIVSA-N 264.413 3.793 30 20 CHED C#CC1CCN(Cc2ccc(Sc3ccccn3)o2)CC1 843426630 DIPSUQQNEHFRIU-UHFFFAOYSA-N 298.411 3.671 30 20 CHED C=CC[C@H](NC(=O)NCC12CCC(CC1)C2)c1ccncc1 757649546 UPIASZDAIBBKHD-HQVVEAJESA-N 299.418 3.578 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(Cl)cs2)C1 758887698 UDQHINZECIAYQW-ZANVPECISA-N 282.796 3.604 30 20 CHED Cc1cc(C=NNc2cccc(Cl)c2F)c(C)[nH]1 921137939 UUONGDCUPMQODK-UHFFFAOYSA-N 265.719 3.870 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1cc(F)ccc1C 853393295 AYZMGNDCGBPAEU-UHFFFAOYSA-N 278.327 3.567 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C(C1CC1)C1CC1 753523744 WXYMQRUWNRRGLF-UHFFFAOYSA-N 297.398 3.967 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(Cl)n1 752696228 IEFUWBSUMRYPMD-SNVBAGLBSA-N 267.760 3.601 30 20 CHED C[C@@H]1CCCCN1N=Cc1cn(CCC#N)c2ccccc12 853380538 XDRMCOFYBJCDTD-OAHLLOKOSA-N 294.402 3.763 30 20 CHED CC[C@@H](C(=O)O[C@H](C)C#N)c1cccc(C(F)(F)F)c1 752574324 QNXSNJFDVWBHFF-BXKDBHETSA-N 285.265 3.654 30 20 CHED C=C[C@@H](OC(=O)c1cnc2n1[C@@H](C)CCC2)c1ccccc1 851452584 UXLJFMWXUOPCPQ-XJKSGUPXSA-N 296.370 3.865 30 20 CHED C=CCOc1ccc(OC(=O)c2conc2C(C)C)cc1 859704252 NDFXBXUJCCHVPO-UHFFFAOYSA-N 287.315 3.582 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2c(c1)CCC2 851214565 SACLDMFFMCCIKP-LBPRGKRZSA-N 271.360 3.660 30 20 CHED Cc1cc(NN=C[C@H]2CCCC(C)(C)C2)nc(C)n1 752726902 LYVGXKDLAHCZNZ-ZDUSSCGKSA-N 260.385 3.708 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2cccc3[nH]ccc23)c1 757046279 KKTYTXIAPGFFOV-UHFFFAOYSA-N 294.285 3.536 30 20 CHED Cc1ccsc1C(Cc1ccccc1)=NNC1CC1 758128344 XMTDBXVKUWOXSI-UHFFFAOYSA-N 270.401 3.755 30 20 CHED CSC(C)(C)C(=O)Nc1sc2c(c1C#N)CCCC2 857565039 ICXWXMPGSJFTSI-UHFFFAOYSA-N 294.445 3.579 30 20 CHED N#Cc1c(F)cccc1OC(=O)OCC1CCCCC1 859081316 YHMWJNOFZKLUFF-UHFFFAOYSA-N 277.295 3.793 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@H](C)n1cccn1 851143684 MWPNIULQCRWGRW-ZNMIVQPWSA-N 276.380 3.512 30 20 CHED CCCCCCC(C)=NNc1nc(-c2ccncc2)no1 750949634 XATJOGKVXZSJQZ-UHFFFAOYSA-N 287.367 3.890 30 20 CHED Cc1cc(C(=O)/C=C/c2csc(Br)c2)no1 752874046 CFILZKBOLZUDMU-NSCUHMNNSA-N 298.161 3.703 30 20 CHED N#C[C@H](C(=O)C=C1CCC1)c1ccc2ccccc2n1 756222180 BHKSRKPUSRQKNG-AWEZNQCLSA-N 262.312 3.521 30 20 CHED C=CC[C@H]1N(C(=O)/C=C\c2ccco2)CCCC1(C)C 767218846 LDBNRIRDHCKQGJ-FJVVXJACSA-N 273.376 3.886 30 20 CHED C#CCN(C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C)C1CC1 765890961 HZWKWENZRLEFNG-KDOFPFPSSA-N 296.414 3.507 30 20 CHED CC(C)(C)SCCCOC(=O)[C@]1(C#N)CC12CCCC2 869530239 LNMLMNXJJWABSE-MRXNPFEDSA-N 295.448 3.925 30 20 CHED C#CCN1CCC(c2ccccc2C(F)(F)F)CC1 761969462 HATDEBTYUFLKJT-UHFFFAOYSA-N 267.294 3.518 30 20 CHED N#Cc1ccc(C(=O)OCCCCc2ccccc2)s1 768042650 RTSJPKXOUFMECE-UHFFFAOYSA-N 285.368 3.799 30 20 CHED CC1CC(C#N)(C(=O)OCc2cc(Cl)ccc2Cl)C1 767421753 DNBOICGCQCZUSJ-UHFFFAOYSA-N 298.169 3.976 30 20 CHED CSc1ccc(/C=C/C(=O)OCC(C)(C)CC#N)s1 860659220 ZKKMDCQKBUEYFD-GQCTYLIASA-N 295.429 3.966 30 20 CHED CCCCCCCC(=O)OCC(=O)Nc1cccc(C)c1 864351564 SRXMPPUSNGLREN-UHFFFAOYSA-N 291.391 3.837 30 20 CHED C#CCCN1Cc2ccccc2C[C@@H]1c1ccccc1 760839824 DAOIJBICJKQBOX-LJQANCHMSA-N 261.368 3.809 30 20 CHED C[C@@H](O)c1ccc(-c2cc(C#N)cc(N3CCCC3)c2)cc1 864549340 DBKZSZGLNOTYEQ-CQSZACIVSA-N 292.382 3.879 30 20 CHED C#CCCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767886631 YSLHOZJCZBHWHW-CYBMUJFWSA-N 267.294 3.518 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(Br)cc1 860452662 PXCBOKRFIFXPRY-UHFFFAOYSA-N 296.164 3.684 30 20 CHED C=CC[C@H](NC(=O)C[C@@H]1CCC[C@H]1C)c1ccncc1 769376901 PJEDLCURABEHJB-KBMXLJTQSA-N 272.392 3.641 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C1\CC[C@H](C)C1 762620518 SESWXGSWZONXNW-UQRISPGASA-N 262.397 3.712 30 20 CHED Cc1ccc(C)c(NN=C2CCCc3scnc32)c1 863074863 UNMYWJJPGWERFI-UHFFFAOYSA-N 271.389 3.912 30 20 CHED Cc1ccncc1-c1ccc(C2(C#N)CCOCC2)cc1 871887963 IIJIKWBCDWREBD-UHFFFAOYSA-N 278.355 3.629 30 20 CHED CC1(O)CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 766084546 IMNBEGXDOYGPQA-UHFFFAOYSA-N 298.308 3.683 30 20 CHED C=C1CCC(C(=O)NCc2cccc(-c3cnco3)c2)CC1 1119566982 HYAZCLGAOWVKGU-UHFFFAOYSA-N 296.370 3.704 30 20 CHED C#CCCCCCCNC[C@H](C)c1c(C)noc1C 877112475 VWVQKKUAKPPSRQ-ZDUSSCGKSA-N 262.397 3.568 30 20 CHED C=CCCCC[C@H](C)NCc1ccc2c(c1)ncn2C 774819800 KGRBPNOPWYIZFV-AWEZNQCLSA-N 271.408 3.798 30 20 CHED C[C@@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1F 776113338 MZEZNFLAEIFGAF-CYBMUJFWSA-N 297.329 3.739 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(F)c(Cl)c1Cl 775184055 UJJGAUQTVCXLNM-QMMMGPOBSA-N 260.139 3.586 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C)cc(OC)c1C 879799533 HQUWPKGQEFFUBH-UHFFFAOYSA-N 261.365 3.853 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc1 776727195 SIGHNIIJWSQTPJ-RMKNXTFCSA-N 295.313 3.740 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1csc(C#N)c1 1117798346 QWDCJJSOHWGYNK-SMDDNHRTSA-N 276.405 3.661 30 20 CHED CCO[C@H]1CC(=NOC2CCCCC2)C12CCC2 777459874 SGKPYFXJEGRXQF-AWEZNQCLSA-N 251.370 3.671 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1ccc(F)cc1F 773624394 NAIKXCLUAOVOBX-NSHDSACASA-N 266.287 3.763 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)s1 1118303090 OCWXGODTFLDJIN-OLZOCXBDSA-N 260.406 3.632 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccccc1OC(F)(F)F 777450984 AEKUAGSCWXULBF-IUCAKERBSA-N 258.243 3.639 30 20 CHED N#Cc1ccc(COC(=O)[C@H](c2ccccc2)C2CC2)s1 1118397925 KGQFYPFPBRRXLB-MRXNPFEDSA-N 297.379 3.857 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1ccccc1Cl 770569085 KXJBCMBPSXDGLX-HJWRWDBZSA-N 274.751 3.532 30 20 CHED C(=NOC1CCCCC1)c1cccc2c1OCCCO2 777456478 AUTNUZMZWLODPI-UHFFFAOYSA-N 275.348 3.531 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](C)c1ccc[nH]1)c1ccccc1 777761812 BBBZKBTZSWKBNX-GOEBONIOSA-N 282.387 3.942 30 20 CHED C=C1CCC(C(=O)NCc2ccccc2COCC)CC1 888107506 HCLFNYCFBRHRIJ-UHFFFAOYSA-N 287.403 3.586 30 20 CHED COCc1cc(C#N)ccc1NC[C@]1(C)CC1(Cl)Cl 882417106 OXQUAWKWQWFTGD-ZDUSSCGKSA-N 299.201 3.700 30 20 CHED C#CCCCCCC(=O)NCc1ccc(Cl)cc1F 777821825 GFVCSMCMGLAEFZ-UHFFFAOYSA-N 281.758 3.679 30 20 CHED COc1ccccc1[C@@H](C)Sc1cc(C#N)nc(C)n1 882027905 GTLNUIFDGCZCJM-SNVBAGLBSA-N 285.372 3.519 30 20 CHED N#CCOc1ccc(NC[C@@H]2CCc3ccccc32)cc1 1120007170 KAOLDHXYKXNWOJ-HNNXBMFYSA-N 278.355 3.731 30 20 CHED CC(CC1CCCC1)=NNc1ccc2c(=O)[nH]ccc2c1 789062332 OTIXQNGQDSICMV-UHFFFAOYSA-N 283.375 3.896 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C1[C@@H]2CCC[C@@H]12 783875024 YDZUGFFJUMZZRP-HZPDHXFCSA-N 285.387 3.569 30 20 CHED CCCCCCCC(=O)Nc1nnc(CCC)s1 885277545 ANSUGWGPSXETBJ-UHFFFAOYSA-N 269.414 3.790 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccc(F)cc3F)cn2c1 789129982 KCZYEEXCHXQOIK-GQCTYLIASA-N 298.292 3.817 30 20 CHED CC(C)(C)CC(=NN[C@@H]1CCCOC1)c1ccccc1 780258347 PJXOKXXVCQFSMU-OAHLLOKOSA-N 274.408 3.596 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C(F)=C1CCCC1 787943393 IJGCMIOXAQXOHY-UHFFFAOYSA-N 266.360 3.715 30 20 CHED C=C1CCN(C(=O)NCc2ccccc2C(F)(F)F)CC1 892455047 XVXYBAHXLYEVEE-UHFFFAOYSA-N 298.308 3.567 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(-c2ccccc2)[nH]n1 782169064 NXCIDYRVAQABSO-UHFFFAOYSA-N 297.358 3.563 30 20 CHED CC1(C)CCC[C@H]1NN=C[C@@H]1CCOc2ccccc21 782290186 ZXGLDZFTBSQEFL-XJKSGUPXSA-N 272.392 3.707 30 20 CHED C=CC(C)(C)Cc1nc([C@@H]2CCC(F)(F)C2)no1 896279183 ROLPZOHFXCKIJU-SECBINFHSA-N 256.296 3.727 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(F)c(F)cc1F 785592430 JXMMGHUCRCBSGI-UHFFFAOYSA-N 299.292 3.981 30 20 CHED Cc1ccccc1C=NNc1ccc(C#N)c(Cl)c1 783877350 IKTYTTCSTPYZBN-UHFFFAOYSA-N 269.735 3.966 30 20 CHED Cc1ccc(Cl)c(OC(=O)c2ccc(F)c(C#N)c2)c1 788124125 MQZIPTBKSZNOKE-UHFFFAOYSA-N 289.693 3.878 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1cccc(O)c1 782303972 QPRRHPLCDASEPW-FNORWQNLSA-N 275.307 3.837 30 20 CHED Cc1ccc2[nH]cc(C(=O)OCc3cccc(C#N)c3)c2c1 780246084 FNXSDTZSCDOZNV-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C(F)=C1CCCC1 781034504 LXZQAJAKVNGUDD-NSHDSACASA-N 288.322 3.714 30 20 CHED CCc1ccccc1COC(=O)c1ccc(CC#N)cc1 782299486 DIZXTEGPHOCDOZ-UHFFFAOYSA-N 279.339 3.672 30 20 CHED C=CC(C)(C)Cc1nc(CC2(CSC)CC2)no1 896819758 ZFTAEDSBSDQORI-UHFFFAOYSA-N 266.410 3.510 30 20 CHED Cc1ncc(N[C@@H]2CC[C@H](C#N)C2)c(C)c1Br 896665562 IYQRBBRHUSIDCS-WDEREUQCSA-N 294.196 3.565 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccnc(O)c1 791434144 VRJLAUJJKKHSGA-DUXPYHPUSA-N 294.137 3.990 30 20 CHED C=CCC(C)(C)C(=O)OCCC(Cl)(Cl)Cl 796454261 CAOMUMXXUSEFOE-UHFFFAOYSA-N 273.587 3.892 30 20 CHED C=C(CC)CSCC1CCC2(CC1)OCCO2 792650364 HRCHQJVOSCZBRN-UHFFFAOYSA-N 256.411 3.619 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1ccc(Cl)o1 799444562 REHCQUGJLYVSIE-UHFFFAOYSA-N 275.691 3.586 30 20 CHED Cc1c(Cl)cccc1NC(=S)NCC1(CC#N)CC1 797408748 NCOFUEYBASNWBI-UHFFFAOYSA-N 293.823 3.629 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Oc2ccc(F)cc2)cc1 792864832 LVSVGDHLNDJOLR-UHFFFAOYSA-N 283.302 3.846 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccc(F)cc1Cl 797885504 XYTOJFYGZGVDAC-UHFFFAOYSA-N 293.681 3.609 30 20 CHED COc1ccc(Cl)cc1C(C)=NNc1cccc(F)n1 795010037 UPUARDXJZAHZNE-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C[C@H](C=NNc1cccc(Cl)n1)c1ccccc1 793181081 IVADUTAMRXATAF-LLVKDONJSA-N 259.740 3.936 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1cccc(Cl)n1 793162979 UVHRGWKXECZFEO-UHFFFAOYSA-N 275.714 3.637 30 20 CHED Cc1cccnc1NN=CC[C@H](C)c1ccccc1 790194151 XIMCOVINVJCXIT-ZDUSSCGKSA-N 253.349 3.982 30 20 CHED C=C(C)COC(=O)c1sc2ccc(C#N)cc2c1C 796624170 KGGFVYJSNGUKQI-UHFFFAOYSA-N 271.341 3.814 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)c1ccccn1 799333550 ZOVWPELWSNKWCO-QGZVFWFLSA-N 293.370 3.533 30 20 CHED CC(C)O[C@H](C=NOCc1cccnc1)c1ccccc1 793035005 UABVVMIBPJNZSI-QGZVFWFLSA-N 284.359 3.750 30 20 CHED N#CC1(CNC(Cc2ccccc2)Cc2ccccc2)CC1 797605678 UWZLOYWTTAERDV-UHFFFAOYSA-N 290.410 3.734 30 20 CHED Cc1cc(NC(=O)N[C@H](C)CCC(C)(C)C)ncc1C#N 1311070651 UKKQSHCSZGKRAA-GFCCVEGCSA-N 288.395 3.598 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)cc2F)cc1 83442288 YOHHVLRIVCYLKD-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1ncccc1CSCc1cccc(C#N)c1F 1323997265 VXEVDJHYLYRWGO-UHFFFAOYSA-N 272.348 3.834 30 20 CHED C#CCCCCC(=O)OCc1cccc(OC)c1Cl 1329429986 SUJNGWRINUXCQZ-UHFFFAOYSA-N 280.751 3.585 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)c1cccc(CC#N)n1 1320363620 FLWUEBYPEHVFJA-GOSISDBHSA-N 293.414 3.914 30 20 CHED N#CCC1CCN(Cc2ccc3c(c2)CCCC3)CC1 517818884 IZSXGFFCNDUQAB-UHFFFAOYSA-N 268.404 3.691 30 20 CHED CC(C)(C)c1ccc(NN=C2CCC3(CC2)CC3)nn1 1326294680 ABONTROIMVNFRH-UHFFFAOYSA-N 272.396 3.896 30 20 CHED CCCC(CCC)C(=O)N1CCc2ccc(C#N)cc21 550153856 HZGKXBMESHLXMW-UHFFFAOYSA-N 270.376 3.664 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC23CCCCC3)nc1 590650457 ZUYBESJQNHKQLG-INIZCTEOSA-N 269.392 3.546 30 20 CHED C[C@H](N[C@H](C)CC(F)(F)F)c1cccc(C#N)c1 224399224 SUMWSWMTGMJKIL-ZJUUUORDSA-N 256.271 3.550 30 20 CHED CC(C)CN(CCC#N)C(=S)Nc1cccc(F)c1F 1320115500 OWKZJIXONKTABU-UHFFFAOYSA-N 297.374 3.533 30 20 CHED CCC(CC)(CNC(=O)c1cccc(C#N)c1C)SC 1321223634 QCOWJGODUOSSMB-UHFFFAOYSA-N 290.432 3.518 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(Cl)c(F)c1 1323221161 DJRJPSRFOXCFIL-SNVBAGLBSA-N 294.757 3.740 30 20 CHED C[C@H](OC(=O)CC#Cc1ccccc1)c1ccc(Cl)cn1 1320554787 ZGRVKUHPRLHVFV-ZDUSSCGKSA-N 299.757 3.781 30 20 CHED C[C@@H](COCC1CCCCC1)N[C@H](C)CC(C)(C)C#N 1183920074 UQZKFQFXAVGGLQ-CABCVRRESA-N 280.456 3.890 30 20 CHED COCC[C@H](Nc1ccc(C#N)cc1Cl)c1ccco1 1336748551 UEHRCKXJPYWCKD-AWEZNQCLSA-N 290.750 3.994 30 20 CHED CC[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 85065483 URPFIVZNXCLNFU-SWLSCSKDSA-N 260.356 3.756 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccc(Cl)s1 1335463186 COIFEOZQGQJWNH-UHFFFAOYSA-N 257.786 3.716 30 20 CHED C=C[C@H]1CCCCN1C(=O)C1(Sc2ccccc2)CC1 1339342565 AHASEVBRYBQJTP-AWEZNQCLSA-N 287.428 3.878 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCC1CCC1 1184775780 SXVZJDIFVFVPJV-UHFFFAOYSA-N 271.751 3.972 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1ccnc(F)c1 1254390825 KPOFSSGFFJJRPJ-JTQLQIEISA-N 285.322 3.558 30 20 CHED Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CC[C@H](C#N)C1 1331893794 GUBKOYBUBKXLCZ-XJFOESAGSA-N 270.376 3.531 30 20 CHED N#Cc1cccc(N(C(=O)c2cccs2)C2CCC2)c1 1331453166 NYVXCDTZFZSFJO-UHFFFAOYSA-N 282.368 3.819 30 20 CHED C=C(C)CCC(=O)N(Cc1cccnc1)Cc1ccco1 1262616372 MZIRCNIPVDJIRB-UHFFFAOYSA-N 284.359 3.560 30 20 CHED COC(=O)c1ccc(Cl)c(/C=C\c2cc(C#N)ccn2)c1 1346403077 UKYPMYPQRXCXNR-RQOWECAXSA-N 298.729 3.564 30 20 CHED N#C[C@H](C(=O)c1csc2ccccc12)c1cccc(F)n1 1347123466 MCSPBYGETNENHW-NSHDSACASA-N 296.326 3.925 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cncc(C(F)(F)F)c1 1347866982 LSDIZJRAAIVJGU-LBPRGKRZSA-N 299.296 3.673 30 20 CHED Nc1ccc(C=NOC2CCCCC2)c(Cl)c1 1347529014 PFGAVFZJYOMQGV-UHFFFAOYSA-N 252.745 3.605 30 20 CHED CC(C)[C@@H](C#N)C=NOc1ccccc1C(F)(F)F 1341111170 JGOBCEJEKWOPHF-JTQLQIEISA-N 270.254 3.866 30 20 CHED COc1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)ccc1F 1341113507 YWRZTQJETJRLAE-UTCJRWHESA-N 298.313 3.665 30 20 CHED C=CCn1c([C@H]2CCCC2(F)F)nnc1N(C)CCCC 1262979490 OQHKJKZHZUWDTF-GFCCVEGCSA-N 298.381 3.603 30 20 CHED C#CCC1(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)CCCCC1 1343481565 QEIRLLAYJORIRU-IRXDYDNUSA-N 287.447 3.999 30 20 CHED Cc1c(Cl)cccc1NC(=O)c1cc(C#N)ccc1F 1350327511 GHDIJKQBIGXUKC-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cc3cc(F)ccc3o2)c1 1275425500 IJWJMVVJNWKTPB-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CCN(Cc1ccc(Cl)cc1)c1ncc(C#N)cc1F 1458148352 ZRIJXZYGWYGACH-UHFFFAOYSA-N 289.741 3.772 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2ccc3c(c2)CCCC3)C1 1528490675 RULLWPFEHXKRGP-CRAIPNDOSA-N 297.398 3.733 30 20 CHED Cc1ccccc1C(C)(C)CNC(=O)c1ccsc1C#N 1529368678 MPQMQYIQYQQMSZ-UHFFFAOYSA-N 298.411 3.636 30 20 CHED N#CCc1ccc(C(=O)Nc2nsc3ccccc23)cc1 1527044380 WIKRBFBWBSLDBF-UHFFFAOYSA-N 293.351 3.615 30 20 CHED CC[C@H](CN(CC)c1ccc(C#N)cn1)c1ccccc1 1458331711 QBUWRMPFKCGNOL-MRXNPFEDSA-N 279.387 3.973 30 20 CHED Cc1cc(=Nc2cccc(NC3CCCC3)c2)c(C#N)c[nH]1 1458203011 KERVYRZFJMGREO-UHFFFAOYSA-N 292.386 3.782 30 20 CHED C[C@]1(C#N)CCCN(C(=O)OCc2cccc(Cl)c2)C1 1463401457 RTMOWDHZMNJGER-OAHLLOKOSA-N 292.766 3.602 30 20 CHED C=CCCC(CC)=NNc1cccc(C(=O)O)c1F 1609324978 ZLKSYPRHAMOJLJ-UHFFFAOYSA-N 264.300 3.668 30 20 CHED Cc1cccc(OCCN(C)Cc2ccc(C#N)c(C)c2)c1 1461945107 ZNAGJXRYNLPSBP-UHFFFAOYSA-N 294.398 3.686 30 20 CHED Cc1ccc(C2(CNc3ncccc3C#N)CC2)c(C)c1 1472795172 RYPABPOQXUXMMI-UHFFFAOYSA-N 277.371 3.714 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]2Cc2ccccc2)sc1Cl 1639493668 VPLOOFHNNDVRIO-GHMZBOCLSA-N 289.791 3.711 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1ccc(Cl)c(C#N)n1 1655595965 OZMIRKUFDLSDFG-NSHDSACASA-N 296.761 3.676 30 20 CHED C[C@H]1N(c2cccc(C#N)n2)c2ccccc2C1(C)C 1652043457 HLKCYTBYMICTFI-GFCCVEGCSA-N 263.344 3.771 30 20 CHED N#Cc1nc(N2CCCCCCCC2)ccc1Cl 1655480435 BFVYEIFYDZHEPR-UHFFFAOYSA-N 263.772 3.767 30 20 CHED CSc1ccc(CSc2cccnc2C#N)cc1 1651984397 WNDHWWHRAVBCED-UHFFFAOYSA-N 272.398 3.967 30 20 CHED Cc1[nH]nc(NCc2ccc(C3CCCC3)cc2)c1C#N 1658083526 BRCKQSSNVJEVSA-UHFFFAOYSA-N 280.375 3.860 30 20 CHED CC1(C)CCC[C@@H](OC(=O)C2(C#N)CCCCC2)C1 1583277560 FFEDCELACAJNGV-CYBMUJFWSA-N 263.381 3.972 30 20 CHED N#Cc1c(F)cccc1NCc1cnccc1C(F)(F)F 1652063668 ZYKCOMQMXNQUFL-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C[C@H]1Oc2ccccc2[C@H]1Nc1nc(C#N)c(Cl)s1 1651118047 HYAMBANPCOHFFP-HQJQHLMTSA-N 291.763 3.602 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 1595445781 PEHFIXLKYJZQDV-KURKYZTESA-N 298.430 3.844 30 20 CHED C[C@H](CSc1ccc(C(=O)O)nc1C#N)c1ccccc1 1592829762 ANHXDZWSBSDHEC-LLVKDONJSA-N 298.367 3.547 30 20 CHED Cc1ccc(CCNC(=O)Nc2cc(C)cc(C#N)c2)cc1 1672281814 KSYLUDZNMXZZDM-UHFFFAOYSA-N 293.370 3.539 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@@H](C)c2ccccc2F)C1 1776154203 YTHLDMZQJBQIIC-SUMWQHHRSA-N 291.366 3.630 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(CC(=O)O)cc1 1777465315 NSURBDCAHVWSAG-KHPPLWFESA-N 280.323 3.518 30 20 CHED CC[C@@H]1CCCC[C@@H]1C=NNc1ccccc1C(=O)O 1776030972 GPNJTBYSGYBZSL-CHWSQXEVSA-N 274.364 3.999 30 20 CHED C=CCCCCCCCNc1ccnc(C(=O)O)c1 1776172841 OQJLZQWCZPPUNN-UHFFFAOYSA-N 262.353 3.718 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@H]1CCCC[C@H]1C 1776013139 KNRVMAVXERIDHK-ABAIWWIYSA-N 274.364 3.999 30 20 CHED O=C1/C(=C\c2cccc(Cl)c2)Cc2c(O)cccc21 14709040 JUBQWCAWZKEZFV-XFFZJAGNSA-N 270.715 3.868 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)n1 161503631 RQRIDRFXVJJIRA-GJZGRUSLSA-N 287.407 3.515 30 20 CHED C=CCN(C)C(=O)c1cc(Cl)ccc1OC1CCCC1 161631786 FVLMLUWRKKCQOY-UHFFFAOYSA-N 293.794 3.919 30 20 CHED C[C@H]1[C@@H](C)SCCN1Cc1ccc(C#N)cc1Cl 162936121 QOXWJRFHHIGNME-WDEREUQCSA-N 280.824 3.537 30 20 CHED C#Cc1cccc(NCc2cnn(-c3ccc(F)cc3)c2)c1 158295126 VRCZSPPVTBXZMP-UHFFFAOYSA-N 291.329 3.605 30 20 CHED N#CCC[C@@H](NC(=O)NCc1cccs1)c1ccccc1 158965979 GLTUQKNKVXJKRT-OAHLLOKOSA-N 299.399 3.592 30 20 CHED CC(C)(C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 160586479 DASJGZUAJYCYDA-UHFFFAOYSA-N 285.372 3.666 30 20 CHED C#CCCCCNC(=O)Nc1ccc(OCCC)cc1C 152687954 VDGDAKMTIONVKE-UHFFFAOYSA-N 288.391 3.709 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)c1ccc(C)cc1C 155214998 NPBWPWFTLNQULG-UHFFFAOYSA-N 297.329 3.707 30 20 CHED Cc1cc(O)c(C(C)C)cc1NC(=O)C#Cc1ccccc1 155818203 CQOPNEYRBGLUQL-UHFFFAOYSA-N 293.366 3.814 30 20 CHED C=CCN(C)C(=O)Nc1sc(-c2ccccc2)nc1C 157782013 CRSOHQFCMPLASA-UHFFFAOYSA-N 287.388 3.768 30 20 CHED N#CCN(CCc1c(F)cccc1Cl)C1CCCC1 156729732 ZHQSFBDVKBDEEX-UHFFFAOYSA-N 280.774 3.790 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)[nH]1 159214627 LEIKBQNAVZYJGO-OAHLLOKOSA-N 299.761 3.517 30 20 CHED COc1cccc(CCCN(C)Cc2ccc(C#N)cc2)c1 159064830 WKMNQRSQCDPBEK-UHFFFAOYSA-N 294.398 3.631 30 20 CHED O=C(/C=C/c1cccnc1)c1ccc2c(c1)CCCC2 32113043 QTOAIMJWUYWEEV-JXMROGBWSA-N 263.340 3.857 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CC[C@H](C)[C@H](C)C1 1205347399 NHBCJPUPJCXKBG-OUCADQQQSA-N 258.365 3.803 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CC[C@H](C)[C@@H](C)C1 1205347403 NHBCJPUPJCXKBG-SGMGOOAPSA-N 258.365 3.803 30 20 CHED C=CCSCCNCc1ccc2cc(OC)ccc2c1 222064617 SOYJUDGPWDLCJN-UHFFFAOYSA-N 287.428 3.857 30 20 CHED CCCCCCCCC(=O)NCc1ccccc1CN 115859208 BSBMIKDNGHATFW-UHFFFAOYSA-N 276.424 3.512 30 20 CHED C#CCCCCC(=O)N1c2ccccc2CC[C@@H]1C 120405157 HNXBVYMZVUIRSK-AWEZNQCLSA-N 255.361 3.548 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1ccc(F)cc1C#N 229338512 VCSAFIMHCNIAQQ-NSHDSACASA-N 272.298 3.880 30 20 CHED C=CCCCN(C)C(=O)c1cnc(Cl)c2ccccc12 234261793 RBSKMNGJQGVIAI-UHFFFAOYSA-N 288.778 3.926 30 20 CHED CCCCc1oc2ccccc2c1CNCCC#N 35112918 FRGPNMRIJNAQEN-UHFFFAOYSA-N 256.349 3.779 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCc1ccco1 37333807 HNKMSFUQJAETTA-UHFFFAOYSA-N 266.222 3.782 30 20 CHED C[C@@H](NC[C@@H]1Cc2ccccc21)c1cccc(C#N)c1 37566208 ULWSVTSBLOIWAU-DYVFJYSZSA-N 262.356 3.549 30 20 CHED N#CCCCCNC(=O)CCc1ccc(Cl)cc1Cl 171508711 LFVQVMOJOHPUHT-UHFFFAOYSA-N 299.201 3.736 30 20 CHED C=CCCCCNCc1csc(-c2ccccn2)n1 274398866 ACIBKJOMUJPADF-UHFFFAOYSA-N 273.405 3.651 30 20 CHED CCC1(C(=O)Nc2cc(C)cc(C#N)c2)CCCC1 308198461 OIWDKRIVWILSRA-UHFFFAOYSA-N 256.349 3.776 30 20 CHED CCCCCCCN1CCC[C@](O)(C(F)(F)F)CC1 311578812 HKVKILDYRCSSSA-CYBMUJFWSA-N 281.362 3.736 30 20 CHED COc1ccc(Sc2ncc(C#N)cc2Cl)cc1 513655184 ZQKWMOBAODSJCA-UHFFFAOYSA-N 276.748 3.766 30 20 CHED N#CCc1cccc(NCc2ccc(Br)o2)c1 313453055 UXCXNOXMSIMCAY-UHFFFAOYSA-N 291.148 3.720 30 20 CHED N#Cc1ccc(N=C(O)[C@@H]2CCCSC2)c(Cl)c1 329822914 QDWKTAUYFLQMIP-SNVBAGLBSA-N 280.780 3.943 30 20 CHED CC[C@@H](O)CCCNc1ccc(C(F)(F)F)cc1C#N 357503079 MKMWFTSOMBZOHC-GFCCVEGCSA-N 286.297 3.540 30 20 CHED C#CCCCCNCc1csc(C(F)(F)F)c1 705542128 ADQYOOQTEMPZKR-UHFFFAOYSA-N 261.312 3.660 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCCCC1(F)F 381527795 ONIRYRNHFZGGIZ-SNVBAGLBSA-N 268.282 3.935 30 20 CHED N#Cc1c(Cl)cccc1NC[C@@H]1CCCSC1 384101738 FDQNXNDWYQRDMS-JTQLQIEISA-N 266.797 3.767 30 20 CHED C=CCOCCN[C@@H](C)c1ccccc1C(F)(F)F 388588879 YJJGENRFPRWJGK-NSHDSACASA-N 273.298 3.559 30 20 CHED C#Cc1ccc(CNC2CC(OCc3ccccc3)C2)cc1 809640771 MFXRZLJVZGMTNI-UHFFFAOYSA-N 291.394 3.505 30 20 CHED Cc1cc(OC[C@H](O)c2cccc(Cl)c2)ccc1C#N 766052279 QVWREJLDCZMYLC-INIZCTEOSA-N 287.746 3.633 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CC12CCCCC2 348525951 QLBINWVLHSXPBD-CQSZACIVSA-N 276.424 3.888 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CC12CCCCC2 531656097 NTAJHUKHRMUBBG-CQSZACIVSA-N 268.360 3.776 30 20 CHED N#Cc1cccc(OCc2cc(-c3ccc(F)cc3)no2)c1 41703043 CJFGUTCIVJPDBD-UHFFFAOYSA-N 294.285 3.931 30 20 CHED CCCCC[C@@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 46888720 SZFBODVMIDHSOL-CQSZACIVSA-N 287.407 3.668 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1 47739902 BLQJVDGRVWCATA-UHFFFAOYSA-N 289.382 3.842 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C#N)c1 48682911 CDNZEOMBXMTYJN-DZGCQCFKSA-N 271.364 3.649 30 20 CHED N#Cc1cc(NC(=O)Cc2cccc(F)c2)ccc1Cl 48824276 XUECSRFWWVPDKY-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C=C(Br)CN[C@H](C)c1cc(C)sc1C 49507118 VJYFILJIWRSTFK-SECBINFHSA-N 274.227 3.924 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1 49633446 KBSKHKLWMVKCOR-GOSISDBHSA-N 290.366 3.730 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cc1)c1cc(F)ccc1F 50355284 JJVIDNXTTBITNM-JTQLQIEISA-N 287.265 3.754 30 20 CHED N#Cc1ccc(NCc2ccc(F)cc2F)c(F)c1 51017587 DBMQQXHYDYBKGY-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=CCN(C(=O)CC)c1nc(-c2ccccc2)cs1 57329427 ZSYJIJGTZOSTOZ-UHFFFAOYSA-N 272.373 3.739 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 57635241 JFVHYBGIINPLEV-XJKSGUPXSA-N 299.418 3.600 30 20 CHED N#Cc1ccccc1CNC1(c2ccccc2)CCC1 64337821 DDORBCFKPZMFNY-UHFFFAOYSA-N 262.356 3.727 30 20 CHED C=CCN(CC=C)CC(=O)Nc1ccc(Cl)cc1Cl 66215698 QJVDZHZRWRZBRM-UHFFFAOYSA-N 299.201 3.606 30 20 CHED CCN(CC#N)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 68231385 LNIPZRATTDHUSB-UHFFFAOYSA-N 298.386 3.779 30 20 CHED N#CCCCOc1cccc(NC(=O)CC2CCCC2)c1 71975119 UGMHXFMWHDGAPK-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CCC(C)(C)CC(=O)N[C@H](C)c1cccc(C#N)c1 73140692 QNYUOPWKJFEDIH-GFCCVEGCSA-N 258.365 3.562 30 20 CHED CCN(C(=O)c1cc(C)oc1C)[C@H](C)c1ccc(C#N)cc1 75440005 MZZDUDZRMVHAGA-CYBMUJFWSA-N 296.370 3.991 30 20 CHED O=C1/C(=C/c2cc(F)c(F)c(F)c2)Cc2c(O)cccc21 76106414 ARTZFWPZYQXCAL-RUDMXATFSA-N 290.240 3.632 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CCCCC#N 76810343 ZVLBKAUWHKDUNS-HIFRSBDPSA-N 260.356 3.697 30 20 CHED C=CCCOC(=O)c1cnc(-c2ccc(OC)cc2)s1 76872489 WJVBNYIEKDPVNW-UHFFFAOYSA-N 289.356 3.552 30 20 CHED CC(C)CCSc1c(C#N)nnc2ccccc12 78559994 ZORRDZUHUVXHCC-UHFFFAOYSA-N 257.362 3.640 30 20 CHED C[C@@H]1CCCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 78832656 XNONRUOUCOACKB-MWLCHTKSSA-N 283.297 3.963 30 20 CHED COc1ccc(CC[C@@H](C)NCc2ccc(C#N)cc2)cc1 79720639 NGIREXOXQOMKKY-OAHLLOKOSA-N 294.398 3.678 30 20 CHED CC(C)(C)c1ccc(CNc2cnccc2C#N)cc1 83482377 GPUOWJBZJPQZQN-UHFFFAOYSA-N 265.360 3.863 30 20 CHED CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C12CCC2 87709681 STXLCTGKZDSROH-IAOVAPTHSA-N 284.403 3.557 30 20 CHED CCC[C@H](C)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 89631927 ZWGVWNSYMRTDNR-ZFWWWQNUSA-N 290.407 3.654 30 20 CHED C=CCCc1csc(Cc2ccc(OC)c(OC)c2)n1 90065516 QGUQIPJMHCFEBJ-UHFFFAOYSA-N 289.400 3.870 30 20 CHED Cc1cccc(CN(CCC#N)Cc2ccccn2)c1C 93100482 HMLHOWAICMRSBL-UHFFFAOYSA-N 279.387 3.614 30 20 CHED CSCc1cccc(NC(=O)c2cccc(C#N)c2)c1 109233828 XKYDRUBLHAJEOL-UHFFFAOYSA-N 282.368 3.674 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cn1 111998527 IEHXJCNRMBZGMR-BJMVGYQFSA-N 284.359 3.586 30 20 CHED Cc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)sc1C 116799592 SCRRVODOYKQFRM-ZUZCIYMTSA-N 276.405 3.567 30 20 CHED C=CCC[C@H](N[C@H](CCCO)c1ccccc1)C1CC1 121321887 UZIJNFDOXADSIY-ZWKOTPCHSA-N 273.420 3.835 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1ccncc1 121988023 KFFODFQUQOIVPN-MRXNPFEDSA-N 270.376 3.514 30 20 CHED CC[C@H](C#N)Nc1cc(-c2ccncc2)ccc1C 122225670 SOGDCUNWLSXQIO-OAHLLOKOSA-N 251.333 3.771 30 20 CHED CCc1ccc(C(=O)/C=C/c2c(Cl)cnn2C)s1 122647934 RUFJODWSXHXAHU-AATRIKPKSA-N 280.780 3.594 30 20 CHED C[C@H](CCC(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 123958852 FJZUZEIALHQUNE-UKRRQHHQSA-N 272.392 3.625 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CC[C@H](C)C1 126171220 DFRUVAGGIQKLLA-HOTGVXAUSA-N 296.414 3.899 30 20 CHED N#CCCCSc1nnc(-c2ccc(Cl)s2)o1 127039678 MJLWMWVAKXVSKF-UHFFFAOYSA-N 285.781 3.847 30 20 CHED Cc1cccc([C@@H](C)C(=O)Oc2ccc(C#N)cc2)c1 129785939 QBBDPZOGDUXODN-CYBMUJFWSA-N 265.312 3.576 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(F)cc1C#N 130094504 OYYCOGCUEMXRHH-KRWDZBQOSA-N 283.350 3.675 30 20 CHED C[C@H](OC(=O)CCc1cn(C)c2ccccc12)C(C)(C)C#N 130894487 OKIYYHZHNMUNTD-ZDUSSCGKSA-N 298.386 3.592 30 20 CHED C=CCN(CC=C)C(=O)Cc1c[nH]c2ccc(Cl)cc12 132821427 XMGILMTYEDZNPX-UHFFFAOYSA-N 288.778 3.564 30 20 CHED C=CCC(CC=C)C(=O)N1[C@@H](C)C[C@@H]2CCCC[C@@H]21 134107132 APUPXKOOUAWCKY-BPUTZDHNSA-N 261.409 3.934 30 20 CHED CC1(C)CN(c2ncccc2C#N)C[C@@H]1c1ccccc1 135575748 FTOWMEONKYDWPQ-MRXNPFEDSA-N 277.371 3.583 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@H]1SCC 151489124 DUAWLAIXVKJDTP-LSDHHAIUSA-N 281.465 3.935 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccc(C)cc1C 151990067 PMAVPEIFVIMNNR-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccccc1F 153291630 RLUCJCIBWZNEQW-UHFFFAOYSA-N 278.371 3.714 30 20 CHED CC(C)(C#N)C(=O)N1CCCc2cc(C(C)(C)C)ccc21 153358653 GSNYMVWUNXLIBF-UHFFFAOYSA-N 284.403 3.813 30 20 CHED C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C#N)c(Cl)c1 153462718 ITJRVCGYWRXHCA-LLVKDONJSA-N 296.757 3.803 30 20 CHED C=C[C@@H](C)NC(=O)CCC(=O)c1csc2ccccc12 153904511 UGCOCZUGLWBRGG-LLVKDONJSA-N 287.384 3.555 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)c1 154464019 HGYLVXRMMCCQRL-KSSFIOAISA-N 290.366 3.893 30 20 CHED C=CCN(C)C(=O)N[C@@H](CCC)CCc1ccccc1 155090326 QHHQUNJWAIUWND-INIZCTEOSA-N 274.408 3.615 30 20 CHED CC(C)CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 160766549 PJRXETIHYZNQQF-UHFFFAOYSA-N 285.372 3.666 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 161169274 UTWDBRGGBVXWOR-IAGOWNOFSA-N 265.356 3.636 30 20 CHED C=C(C)CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 161221828 TUZHXEGLZCYALF-NSHDSACASA-N 285.309 3.891 30 20 CHED CCCCCOc1ccc(/C=C/C(=O)c2ccnn2C)cc1 164857347 LZRXPHLBYZFOGL-DHZHZOJOSA-N 298.386 3.885 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 166999134 OMQZQJZGPMVIHY-JSGCOSHPSA-N 291.376 3.553 30 20 CHED CC(C)CSCCCNc1ccc([N+](=O)[O-])c(C#N)c1 167325459 XDPQXIYHRZWNLS-UHFFFAOYSA-N 293.392 3.658 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)cc1C 171981081 CEDYZTVWXHYMDF-SOFGYWHQSA-N 268.360 3.977 30 20 CHED C=CC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1 174266180 BSWJZMJBSRWMCX-UHFFFAOYSA-N 284.281 3.534 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccsc1)C2 176938618 AXEYHLYNKVXXNA-SDQBBNPISA-N 256.326 3.579 30 20 CHED CCO[C@H](CCNCc1ccc(C#N)s1)C1CCCC1 176981310 NFTDLIJFDIIUAQ-MRXNPFEDSA-N 292.448 3.695 30 20 CHED C[C@@H](CC#N)N(C)Cc1cccc(OCc2ccccc2)c1 177366223 VDIJISOCSQCGRE-INIZCTEOSA-N 294.398 4.000 30 20 CHED CCc1ccc(C(=O)Nc2cccc(C#N)c2C)s1 178642875 NWOJZALHNIDYOU-UHFFFAOYSA-N 270.357 3.743 30 20 CHED CS[C@H]1CCC[C@H](N[C@H](C)c2cccc(C#N)c2)C1 181768600 SWBKHARZPMUKLB-KCXAZCMYSA-N 274.433 3.883 30 20 CHED C[C@@H](C#N)CNC(=O)N[C@@H](CC1CCCC1)c1ccccc1 182733165 LDBLQNPFEHCXLX-YOEHRIQHSA-N 299.418 3.767 30 20 CHED CCc1nc([C@H](C)NCc2ccc(F)cc2C#N)cs1 184717501 LTOSYGINEAHNAR-JTQLQIEISA-N 289.379 3.567 30 20 CHED C=C(C)[C@H](NC(=O)N1CCC[C@H]1C)c1ccc(F)c(F)c1 185478279 FLYTZDQNRPJDKX-ABAIWWIYSA-N 294.345 3.776 30 20 CHED C[C@H](NCCC[C@@H]1CCCCO1)c1ccc(C#N)cc1 186001033 SISODQACCHZGHX-YOEHRIQHSA-N 272.392 3.558 30 20 CHED CSCc1cccc(C/N=C(\N)Nc2ccccc2C)c1 187852323 TWKGBZFFFLKSKB-UHFFFAOYSA-N 299.443 3.785 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1Cc2ccccc21)c1ccccc1 188442049 AKHQKXIINMDFDU-HKUYNNGSSA-N 291.394 3.802 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[C@H](SCC)C1 188596412 BBAUFPUITBYGGF-VNHYZAJKSA-N 269.454 3.721 30 20 CHED C=C(C)[C@H](NCC[C@@H]1CCCO1)c1ccc(F)c(F)c1 190009668 QJBMQINNSIRDAU-BBRMVZONSA-N 281.346 3.741 30 20 CHED C#CCCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 192138087 CRJZREZTYQJQEV-BBRMVZONSA-N 273.351 3.539 30 20 CHED C#CCCCC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 192372103 VDCSOOLKTKSMOH-INIZCTEOSA-N 275.367 3.833 30 20 CHED C=CCC[C@@H](CC)NC[C@@H]1CCN(Cc2ccccc2)C1 192935771 UYQSYXVLQIXNQG-RBUKOAKNSA-N 286.463 3.843 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(C)c2)c(OC)c1 210605157 DPFNSRTZUQCCQO-NTMALXAHSA-N 282.339 3.908 30 20 CHED CC(C)CCN(CCC(C)C)c1ccc(C#N)cn1 221672679 CEHSWOVPGMTJLS-UHFFFAOYSA-N 259.397 3.852 30 20 CHED N#Cc1ccc(NCc2cccs2)cc1Br 228177503 URPJNZSIIDXGBG-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C[C@H]1C[C@@H](C)CN1c1ccc(C#N)c(Br)c1 228196636 UBMYKQDORBVEEA-ZJUUUORDSA-N 279.181 3.555 30 20 CHED N#CCOc1cccc(NCc2ccc3cc[nH]c3c2)c1 229630180 YYFUUFOPNOJRPB-UHFFFAOYSA-N 277.327 3.682 30 20 CHED Cc1cc(C)cc(COc2ccc(C#N)cc2F)c1 232363878 IQEQHHZXGXVVTF-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CCN(CCCCC(C)(C)C#N)Cc1ccccn1 233443773 JVIAGPSTEQCBKM-UHFFFAOYSA-N 259.397 3.624 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 246996278 MVMAAQMDTINXPS-HBNTYKKESA-N 281.758 3.663 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@H]1c1ccccc1 248802370 AHRXFFJKCIJCTJ-DNVCBOLYSA-N 293.414 3.522 30 20 CHED CC1(C)[C@@H]2C[C@@H]1CC=C2C=NNc1ccccc1[N+](=O)[O-] 252510636 AZBWANLFIIRICM-QWHCGFSZSA-N 285.347 3.985 30 20 CHED COc1cccc(C=Nc2ccc3c(c2)CCC3)c1O 254707595 ASFLQPSNVCRBOH-UHFFFAOYSA-N 267.328 3.640 30 20 CHED CCN(C(=O)/C=C\c1cccs1)c1ccc(C#N)cc1 255266335 UDYFTUOHFPIZJR-KTKRTIGZSA-N 282.368 3.686 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc(C#N)cn2)C1 266237788 KTQWVLSORYHIAQ-MLGOLLRUSA-N 281.334 3.680 30 20 CHED C[C@@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1cccc(F)c1 274296143 DUSBJWYLYZKEBR-SJCJKPOMSA-N 290.382 3.764 30 20 CHED C=CCC[C@@H](NCCc1cn2ccccc2n1)c1ccco1 276507402 YRLZSXHZCTUIPE-MRXNPFEDSA-N 295.386 3.767 30 20 CHED CC[C@H](N[C@@H](C)CCC#N)c1ccc(F)cc1F 278526716 DHRDMDSUYLJFBQ-HZMBPMFUSA-N 252.308 3.698 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 278911708 KSKXQJJUSKQHRP-SJLPKXTDSA-N 283.415 3.893 30 20 CHED Cc1ccc(Cl)c(NC(=O)CC(C)(C)C#N)c1 279083730 VNDBKBHUPINULH-UHFFFAOYSA-N 250.729 3.527 30 20 CHED CC(C)n1ccc(N[C@@H](C)c2cccc(C#N)c2)n1 280913057 HTPQMUHTXIHDAU-LBPRGKRZSA-N 254.337 3.509 30 20 CHED Cc1oc(C#N)cc1C(=O)N1C[C@@H](C(C)C)c2ccccc21 280932353 FPQOIRHEBCCDMI-INIZCTEOSA-N 294.354 3.860 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 288349325 LTMOVIMAUOOJMU-JSGCOSHPSA-N 293.432 3.639 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc(COCCOC)cc1 291288393 RQMCXISGIGJWJZ-JKSUJKDBSA-N 291.435 3.540 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2c(Cl)cnn2C)cs1 291463799 GNJBXEPRONHAAC-SNAWJCMRSA-N 295.795 3.550 30 20 CHED N#Cc1ccc(NCC2CC(F)(F)C2)cc1Cl 291889248 OZKMHCATKACDKS-UHFFFAOYSA-N 256.683 3.669 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC(C)(C)[C@H]1c1cccnc1 292601739 KRLONSWIZACKSJ-HUUCEWRRSA-N 287.407 3.529 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC[C@@H]2c2ccc(Cl)cc2)C1 292861852 RQFFYQCDCJWHKY-KCPJHIHWSA-N 260.768 3.779 30 20 CHED C=CCCCCCCN[C@@H](c1nnc[nH]1)c1cccs1 294526080 ZPPDGVLBYFFEGS-CQSZACIVSA-N 290.436 3.682 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cccc(NC(=O)N(C)C)c1 295107607 VRTUEUVREUDDIU-OLZOCXBDSA-N 275.396 3.793 30 20 CHED C#CCO[C@@H](C)c1nc(-c2ccc(C(C)(F)F)cc2)no1 296393742 KABANPULUAAPMH-JTQLQIEISA-N 292.285 3.559 30 20 CHED Cc1cccc2nc(CNc3ccc(C#N)c(Cl)c3)cn12 301275378 RXCYRSWWKHDLNX-UHFFFAOYSA-N 296.761 3.780 30 20 CHED CCOCc1ccc(CNc2ccc(F)cc2C#N)cc1 301371750 PWUPMLKWRVZTOK-UHFFFAOYSA-N 284.334 3.846 30 20 CHED N#Cc1c(F)cccc1Nc1ccc(O[C@@H]2CCOC2)cc1 301379440 YAPKXWBKRXFPLO-CQSZACIVSA-N 298.317 3.609 30 20 CHED Cc1nc(CCNc2ccc(Cl)cc2C#N)sc1C 301681384 SXGJJLJEQNWSOU-UHFFFAOYSA-N 291.807 3.940 30 20 CHED C[C@H](CN(C)Cc1ccccc1)Nc1cccc(F)c1C#N 302046719 YLGDPAZFGSGHQV-CQSZACIVSA-N 297.377 3.630 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(c2ccc(Cl)c(C#N)n2)C1 302113744 BOOVIQIEEWIULK-IAQYHMDHSA-N 298.777 3.589 30 20 CHED C#CCOc1ccccc1CNc1ccc([N+](=O)[O-])c(C)c1 315021338 VQGHHCFJRAHCTD-UHFFFAOYSA-N 296.326 3.527 30 20 CHED CCc1nc(CC/N=C(/O)C[C@@H]2CCCCC2(C)C)no1 328658241 QRLINUCUJPOEES-LBPRGKRZSA-N 293.411 3.738 30 20 CHED Cc1cccc2c1OCC[C@H]2N/C(O)=N/CC1CCCC1 329938600 SPBJMIHCTSJJOC-OAHLLOKOSA-N 288.391 3.512 30 20 CHED C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 331014794 GICLUZKVZBAXEG-XJKSGUPXSA-N 284.403 3.796 30 20 CHED COc1cc(/C(O)=N/C2(C)CCCC2)cc([N+](=O)[O-])c1C 331080922 LRYFRKDWIQSXOT-UHFFFAOYSA-N 292.335 3.549 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ncc(C3CC3)o2)n1 331587147 XNYILIUTOAHJNO-UHFFFAOYSA-N 285.372 3.728 30 20 CHED Cn1cc(N[C@@H]2CCC[C@H](C#N)C2)c(C2CCCCC2)n1 333579364 RDXGLAWTHMTWPD-DZGCQCFKSA-N 286.423 3.962 30 20 CHED Cc1cnc([C@@H](C)Sc2nc3c(cc2C#N)CCCC3)o1 334832066 VKIZSIQXXOXBJZ-LLVKDONJSA-N 299.399 3.982 30 20 CHED CC1(C#N)CCC(N[C@H]2CCCc3cc(N)ccc32)CC1 335480233 MIIVGIREFVINLX-NXYGQSRBSA-N 283.419 3.708 30 20 CHED CSc1ccc(C)c(NC(=O)c2ccc(C#N)cc2)c1 336428976 INTMUDOJLWLTTJ-UHFFFAOYSA-N 282.368 3.841 30 20 CHED C[C@H](CC(=O)N(C)c1ccccc1C#N)c1ccc(F)cc1 337858456 LYBMTPCSOSROAR-CYBMUJFWSA-N 296.345 3.854 30 20 CHED N#CCC[C@H](C#N)COc1ccccc1Oc1ccccn1 339317111 STOJDAVEUWTMQH-CQSZACIVSA-N 293.326 3.696 30 20 CHED CN(Cc1ccc(F)cc1F)c1nccc(C#N)c1Cl 341355074 IELUQCQCJZJKQT-UHFFFAOYSA-N 293.704 3.521 30 20 CHED Cc1nsc(NC[C@@H]2CCO[C@@H]2c2ccccc2)c1C#N 343023387 HNAAJEXGIZQFIV-DZGCQCFKSA-N 299.399 3.513 30 20 CHED C=C(C)CN(CC)C(=O)c1cnc2ccccc2c1C 343164510 LNXFBVIXGGYNTB-UHFFFAOYSA-N 268.360 3.581 30 20 CHED CSc1cccc(F)c1CNc1nccc(C)c1C#N 343228911 ZSSBAWLUWJKMPG-UHFFFAOYSA-N 287.363 3.735 30 20 CHED CC(C)CN(Cc1ccccc1F)CC1(C#N)CC1 343323642 UXWXQAINBXIGMV-UHFFFAOYSA-N 260.356 3.587 30 20 CHED CCCO[C@H]1CCCN(Cc2ccc(CC#N)cc2)CC1 343525729 JOCLIHKBJUCSKM-SFHVURJKSA-N 286.419 3.534 30 20 CHED CCN(CCC#N)CC1CCC(C(F)(F)F)CC1 344473200 DBEPVBFLNAVGFF-UHFFFAOYSA-N 262.319 3.591 30 20 CHED C=CCCC1(C(=O)Nc2nc3ccc(C)cc3[nH]2)CC1 344483921 UXAOJKQWGRWTDV-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C=C1CCN(Cc2cc(C)c3ncccc3c2)CC1 346215508 QCAJRKBIWCYXON-UHFFFAOYSA-N 252.361 3.695 30 20 CHED CC(C)[C@@H](CSc1ccccc1)NCCCC#N 346809604 QMJCUMQCLLKVJW-OAHLLOKOSA-N 262.422 3.697 30 20 CHED C=C(CNC(=O)Nc1ccccc1COC)c1ccccc1 348629166 ZBFRLDGNTNJDFQ-UHFFFAOYSA-N 296.370 3.668 30 20 CHED C[C@H](F)CCSc1nc(C(F)(F)F)ccc1C#N 349815880 GZCPLRVNGAQGPQ-ZETCQYMHSA-N 278.274 3.812 30 20 CHED CCN(Cc1cccc(Cl)c1)[C@H](C)CCC#N 351622571 WGHHKVCPWKPATB-GFCCVEGCSA-N 250.773 3.854 30 20 CHED C=C(C)CCN1CCC[C@H]1c1cccc2c1OCCO2 352048249 LMGXJXHKQFYNOY-HNNXBMFYSA-N 273.376 3.561 30 20 CHED C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 353317796 ZVUCOXMKDVVBMX-MAUKXSAKSA-N 292.382 3.951 30 20 CHED C=CC1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 353595350 ORKTYGCHHIMXMN-UHFFFAOYSA-N 281.403 3.579 30 20 CHED CC1(C)CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 355542121 JONXELLCBLUNPP-MRXNPFEDSA-N 284.403 3.723 30 20 CHED CC[C@@H](CC#N)NC(=O)c1sc2cc(F)ccc2c1C 356051750 BSBJKIKARXLUFX-NSHDSACASA-N 290.363 3.771 30 20 CHED C=C(C)COc1cc(CN2CCC=C(F)C2)ccc1OC 357228789 GHJBYISBXQPUAU-UHFFFAOYSA-N 291.366 3.709 30 20 CHED C=CCC[C@H](N[C@H](C)c1ccc([S@](C)=O)cc1)C1CC1 358257532 UPQKIQCBONPDTQ-VOWSPCBNSA-N 291.460 3.819 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)NCC(C)(C)CCC#N 358682918 JTRALBLNEGJCLC-CQSZACIVSA-N 279.428 3.536 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H](C)C1CCCCC1 359394777 YVGWIZSJUYFJQM-AWEZNQCLSA-N 262.397 3.521 30 20 CHED Cc1nc(N2CC3(CCC3)[C@H]2C2CC2)c(Cl)cc1C#N 359970327 YYFCZAYMBAKTAO-CQSZACIVSA-N 287.794 3.684 30 20 CHED N#CCCCc1nc(Cc2cc(Cl)ccc2Cl)no1 361271853 LVCDIUUAEWVXFQ-UHFFFAOYSA-N 296.157 3.813 30 20 CHED N#Cc1ccc(CNCc2ccc(-c3ccncc3)cc2)o1 363414573 OTUNQNPNGCTHGF-UHFFFAOYSA-N 289.338 3.503 30 20 CHED C=CC[C@@H](C)[C@H](C)NC1CCC2(CCOCC2)CC1 371448635 SBXQAKQPRXZCHK-CABCVRRESA-N 265.441 3.916 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(OCC2CC2)CC1 374121668 OCDICYPHVLMDKK-CQSZACIVSA-N 284.403 3.510 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H](C3CC3)C2)c1 378307896 QUTVCENHQXYKBU-CQSZACIVSA-N 286.375 3.515 30 20 CHED CC(C)O[C@H]1CCCN(c2cccc(Cl)c2C#N)C1 404697787 TZHAGHHMZVVHIO-LBPRGKRZSA-N 278.783 3.605 30 20 CHED COC[C@H](NCCC1(C#N)CCCCC1)c1ccc(C)o1 411512682 MRVSEFPEXJALQY-HNNXBMFYSA-N 290.407 3.729 30 20 CHED C[C@H](SCCC#N)C(=O)Nc1cccc2ccccc12 413010332 GCBMKERHWZNNMI-LBPRGKRZSA-N 284.384 3.814 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 416103053 OQMDWWHCRLFCOL-QBIMZIAESA-N 296.414 3.878 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416114290 YISUBZDFFDLSTH-SIIHOXLZSA-N 296.414 3.878 30 20 CHED CC(C)c1ccc2occ(C(=O)NCC3(C#N)CCC3)c2c1 416347875 CYIOXAOSEANVBT-UHFFFAOYSA-N 296.370 3.980 30 20 CHED C=CCCCS(=O)(=O)N[C@H](C)c1ccc(C2CC2)cc1 416672311 YKAKMXIUGUKRNS-CYBMUJFWSA-N 293.432 3.511 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc(C)n1 421852650 HRSCWVBZSSGSOY-ZDUSSCGKSA-N 283.350 3.560 30 20 CHED CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC)cc1 424335997 XHKDZQQCIRUVKD-LXZKKBNFSA-N 272.392 3.818 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1csc(C(C)C)n1 424645868 PCZBLWCPVSZSCX-UHFFFAOYSA-N 280.437 3.528 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2nccc(C)n2)c1 424681481 VOGYPOZFXYHBEK-UHFFFAOYSA-N 295.386 3.993 30 20 CHED CCSc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 426318611 ROXXZCVGTMBWGW-HIFRSBDPSA-N 274.433 3.971 30 20 CHED C=CCOc1ccc(CN(C)[C@@H]2CC[C@H](C)C2)cc1OC 433044936 ORIBMHZOOCMMBP-GOEBONIOSA-N 289.419 3.880 30 20 CHED N#Cc1ccccc1SCC#Cc1ccc(F)cc1 433390402 REPBCLROPVNCDK-UHFFFAOYSA-N 267.328 3.841 30 20 CHED CCc1ccnc(CNc2c(Cl)cccc2C#N)c1 435587229 BVEKZQUVBOWUCN-UHFFFAOYSA-N 271.751 3.781 30 20 CHED C=CCNc1cccc(C[S@@](=O)c2ccccc2)c1 442093868 HUZZNAYSNQTSQZ-LJQANCHMSA-N 271.385 3.592 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2c(F)cccc2C1 442674501 CMMKRWFVUHZQIB-CYBMUJFWSA-N 280.346 3.817 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccccc2CC(F)(F)F)C1 442858230 RKXUGTSVDAKDOF-CMPLNLGQSA-N 268.282 3.896 30 20 CHED CCO[C@H](CNCc1ccc(C#N)c(C)c1)c1ccccc1 446847661 NUKABBMJXFPJMG-LJQANCHMSA-N 294.398 3.734 30 20 CHED C=CC[C@H](C)N[C@@H](COCc1ccccc1)C(C)C 446928240 KOAVPZORLOHRFX-RDJZCZTQSA-N 261.409 3.782 30 20 CHED COCc1cccc(COc2c(C)cc(C#N)cc2C)c1 446967112 QAQLNPQNEFXIGJ-UHFFFAOYSA-N 281.355 3.901 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 448593972 HOMHNQYFWSQONU-HOCLYGCPSA-N 270.376 3.908 30 20 CHED C=CCC(C)(C)CNCc1ccnn1C1CCCC1 449339649 LFVOUUFPPBNOEN-UHFFFAOYSA-N 261.413 3.690 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 450040108 HAWJGKFHRHOPJJ-NEPJUHHUSA-N 287.407 3.530 30 20 CHED C=CCC1(C(=O)NCCC2CC(OCC)C2)CCCCC1 451118259 WZMDERYVNXUQLV-UHFFFAOYSA-N 293.451 3.834 30 20 CHED C=CC(C)(C)CNC(=O)Cc1cccc(Cl)c1OCC 452772454 FHYCECUEFRWHTG-UHFFFAOYSA-N 295.810 3.610 30 20 CHED C=C(CC)CNC(=O)c1sc(C)nc1-c1ccccc1 456823484 BHWLDVJBMJTRGX-UHFFFAOYSA-N 286.400 3.815 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)c1ccccn1 456975329 ZDCNDEXZXCWEPC-MRXNPFEDSA-N 293.370 3.784 30 20 CHED C=CCCN(C)C(=O)C(C)(C)Cc1ccc(Cl)cc1 457725784 FHLLHXZLCJGQEY-UHFFFAOYSA-N 279.811 3.943 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)N(C)CC(C)(C)C#N)CC1 458643363 LNVZLHAEEFZXKT-HUUCEWRRSA-N 293.455 3.782 30 20 CHED CC(C)(CC#N)CNCc1ccc(-c2ccccc2)o1 459687717 HBBUIJVUPPCXQX-UHFFFAOYSA-N 268.360 3.976 30 20 CHED C[C@@H](C(=O)NCc1cccc(Cl)c1)c1cccc(C#N)c1 461731082 VBVIEIWQOLUQSI-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(Cc2ccccc2)no1 461792191 YGZGHZLUDXLJAP-CYBMUJFWSA-N 289.338 3.684 30 20 CHED N#Cc1c[nH]c2ccc(Cl)cc2c1=N[C@H]1CC=CCC1 462865053 ZMXSSSWTARLVDQ-ZDUSSCGKSA-N 283.762 3.702 30 20 CHED C=Cc1ccc(CCNCc2ccc(C#N)s2)cc1 462904237 FOAYIUAANYPXTF-UHFFFAOYSA-N 268.385 3.595 30 20 CHED CC(C)COc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cn1 463246053 PDDFBASIWWWYNC-ZIAGYGMSSA-N 273.380 3.611 30 20 CHED CCC(CC)(CC)NC(=O)[C@H](C)c1cccc(C#N)c1 464052843 KZTRYSABOVTTOG-CYBMUJFWSA-N 272.392 3.747 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)C[C@H](C)c1ccccc1 466366168 DEDLYHMMMJUHOQ-GOEBONIOSA-N 274.408 3.786 30 20 CHED CS[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])C(C)(C)C 466479309 UEKODFWADKMVKT-CYBMUJFWSA-N 293.392 3.656 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC)cc1OC(C)C 466525204 AAFNSWSQXLOOIL-CYBMUJFWSA-N 291.391 3.567 30 20 CHED C=C1CCN(C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 469920443 STBZHUAUWGRGFL-CQSZACIVSA-N 277.383 3.665 30 20 CHED C=CCOCCCN(C)[C@@H](C)c1ccc(C)cc1C 470716680 NUAFEDGITGXJDX-INIZCTEOSA-N 261.409 3.889 30 20 CHED C=CCCCCNC(=O)Cc1coc2cc3c(cc12)CCC3 471668920 MQLQDFPZHLXJRT-UHFFFAOYSA-N 297.398 3.937 30 20 CHED C=CCCCCNC(=O)[C@H](C)c1ccc(F)c(F)c1 471708807 HNBZSVWJHJIJNW-LLVKDONJSA-N 267.319 3.541 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 473840487 APZNKJUWKOGDQA-CRAIPNDOSA-N 295.467 3.890 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC1CC1)C1CCC1 474662457 GKHLAPCWUYNSNO-ZDUSSCGKSA-N 264.413 3.705 30 20 CHED C=CCOCCCSc1nnc(-c2ccc(C)cc2)o1 475939880 KQOSJRQQLTUQBV-UHFFFAOYSA-N 290.388 3.730 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CC1 476290280 SKDVRBVNQDPIJC-OAHLLOKOSA-N 287.378 3.888 30 20 CHED C=C[C@@H](C)NCc1ccc(-c2cccc(F)c2F)o1 480308342 HJGADIRYKRTOOX-SNVBAGLBSA-N 263.287 3.889 30 20 CHED N#CC1(CN[C@@H]2CCCC[C@H]2c2ccccc2)CC1 484629255 AEVFRFPPUNSDAF-JKSUJKDBSA-N 254.377 3.606 30 20 CHED Cc1cc(CN2CCS[C@H]3CCCC[C@@H]32)ccc1C#N 488231087 LWPHWENFIDHOTE-IRXDYDNUSA-N 286.444 3.727 30 20 CHED N#Cc1c(F)cccc1COc1ccc2c(c1F)CCC2=O 488262523 JWNUFKSKUKVARG-UHFFFAOYSA-N 299.276 3.544 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)C[C@H](C)C#N 488483575 JAEZELFZFCJHRC-YUELXQCFSA-N 284.403 3.594 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(COC(C)C)cc1 488863025 WYSJEAHZTBUEMP-KRWDZBQOSA-N 287.403 3.792 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(Cl)cc1C#N 489437363 OFPWDCGQIVCEQH-OAHLLOKOSA-N 260.768 3.752 30 20 CHED C=CCC[C@@H](C(=O)N1CCC(F)(F)C1)c1ccccc1 489995712 IZHZBTIGGPMYPK-CQSZACIVSA-N 279.330 3.604 30 20 CHED C=CCNC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 490000857 QKPIRPRHQNIXKM-AWEZNQCLSA-N 260.381 3.567 30 20 CHED C=C(C)CN(C)[C@@H](COC)c1ccc(Cl)cc1 490056173 BCHDPFCAOFNTRW-AWEZNQCLSA-N 253.773 3.535 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(SC)c(Cl)c1 491619681 BLVJIUUVEHETJD-SECBINFHSA-N 282.796 3.547 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)CC(C)(C)C#N 497332688 ZHECFTXNMIDQOF-GFCCVEGCSA-N 292.810 3.527 30 20 CHED CCc1ccc(CCC(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 499469280 HESCLPYVCNKESG-SFHVURJKSA-N 286.419 3.626 30 20 CHED Cc1csc2ncnc(NCc3cc(C#N)ccc3F)c12 505705671 KODIOUGLSPYAGK-UHFFFAOYSA-N 298.346 3.623 30 20 CHED CCc1cc(NCc2ccccc2C#N)ccc1F 506281621 OGTABDJBBQJBJD-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C=CCn1c(N2CC[C@@H](CC(C)C)C2)nnc1C(C)(C)C 508728139 BZLSZWPXDMOFDM-AWEZNQCLSA-N 290.455 3.634 30 20 CHED C=C(CNC(=O)N1CCC[C@H](CC)C1)c1ccccc1 512662423 XCNHBKCHKBMDDA-HNNXBMFYSA-N 272.392 3.531 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc(OC)cc1)C(C)(C)C 514885885 ABRJPULBUUQCKH-INIZCTEOSA-N 291.435 3.623 30 20 CHED C=CCOCC(=O)N(CCC)[C@@H](CC)c1ccccc1 517814470 ALBSXEGEEXNYGC-INIZCTEOSA-N 275.392 3.579 30 20 CHED C=C1CCN(CCOc2ccccc2C(F)(F)F)CC1 520850660 UMVYZLUMSLYSCE-UHFFFAOYSA-N 285.309 3.736 30 20 CHED C=C(C)CN(CC)C(=O)NCC1CCC(CC)CC1 521355401 ZETXRFHBWRTNPG-UHFFFAOYSA-N 266.429 3.810 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 522977109 WWAAHDQVAIAIKY-IAQYHMDHSA-N 290.794 3.847 30 20 CHED C=CC[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 523943852 LCNIGIHMUFMDDP-OAHLLOKOSA-N 299.418 3.690 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2ccc(F)c(F)c2)n1 526052787 CZFWXGBRGGDVJN-UHFFFAOYSA-N 287.313 3.503 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccccc2C)no1 528062043 CZDHEQRHJUKRPZ-UHFFFAOYSA-N 255.321 3.626 30 20 CHED CCOCc1ccccc1-c1noc(C(C#N)(CC)CC)n1 528108006 MHXFQLGXRDHCDY-UHFFFAOYSA-N 299.374 3.854 30 20 CHED C=C(C)[C@H](CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21)OCC 535895725 LBFHQPBHIJZCLU-QAETUUGQSA-N 293.451 3.785 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCC[C@@H]1CCc1ccccc1 540396828 GKFSZOYUMZSSKU-IPMKNSEASA-N 287.447 3.562 30 20 CHED Cc1c(Cl)cnc(N(C)CCc2ccccc2)c1C#N 543135779 DSCVKTIAQMERSU-UHFFFAOYSA-N 285.778 3.594 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(CCC(C)(C)C#N)[C@H]2C 543846276 ADGKKOFJMMXBQD-KBPBESRZSA-N 286.419 3.943 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 544354198 WVKTULZWPRCTLA-XHSDSOJGSA-N 296.455 3.624 30 20 CHED Cc1cccc(CCCSc2ccc(C#N)cn2)c1 554426248 LLEUJFJVQVOXPC-UHFFFAOYSA-N 268.385 3.987 30 20 CHED C/C=C\c1ccc(NC(=O)c2sccc2C#N)cc1 557957083 IIXQUFRXISBUDF-IHWYPQMZSA-N 268.341 3.905 30 20 CHED C=C(C)CCc1noc(CCc2nc3ccccc3o2)n1 560457298 MPTQEPKXNGLAQK-UHFFFAOYSA-N 283.331 3.505 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)C(C)C)sc2cc(F)ccc12 564147980 NRSKIVWBBRRGJO-LBPRGKRZSA-N 290.363 3.627 30 20 CHED CCOC(=O)C[C@H](C)S[C@@H](C#N)Cc1ccc(C)cc1 573800815 BDLUVWXFGAQXFI-DZGCQCFKSA-N 291.416 3.505 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc([C@@](C)(C#N)CC)n1 575940892 QLNOQBJVGXWYMV-LALPHHSUSA-N 261.369 3.945 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)Cc1cccc(C)c1 576055475 VTHZESVGODNRJU-UHFFFAOYSA-N 298.434 3.922 30 20 CHED C[C@H](NCC1(C#N)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 578708063 UTONOAHLWHFTLT-GARJFASQSA-N 280.824 3.787 30 20 CHED C[C@@H]1CC(C)(C)CN1c1ccc2cc(C#N)ccc2n1 578725645 ZZWWAEXSAJVKMW-GFCCVEGCSA-N 265.360 3.731 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(Cl)cc2OC)no1 584496212 SLVUXWKWHBLLDF-AWEZNQCLSA-N 291.738 3.590 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCCC[C@H]1CCC 590640014 IXUFMHDALGGTEY-HUUCEWRRSA-N 264.413 3.729 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCc2cccc(Cl)c2C1 591243332 PHRDACIBYNZYMX-CYBMUJFWSA-N 276.811 3.727 30 20 CHED C=CCCSCCNCc1cc(F)c(F)c(F)c1 594960335 OKLGQUNKNVTPNT-UHFFFAOYSA-N 275.339 3.503 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CC[C@@H]2c2ccccc2)C1 595090413 ONUZZYZAOSAUNM-QMCVQRASSA-N 254.377 3.605 30 20 CHED CN(CCCOc1ccccc1)[C@@H](C#N)c1ccccc1 595287856 NVODHFWXSQZRBU-SFHVURJKSA-N 280.371 3.652 30 20 CHED CCN(Cc1ccccc1OCc1ccccc1)[C@H](C)C#N 595818005 MRLPNWSSHHJGOM-MRXNPFEDSA-N 294.398 4.000 30 20 CHED C[C@@H]1N(C(=O)NCC2(CC#N)CC2)c2ccccc2C1(C)C 596588271 YBNFFAAXFYBBSQ-ZDUSSCGKSA-N 297.402 3.576 30 20 CHED C=CCC(CC=C)c1nc(CC2(CSC)CC2)no1 596610685 RHHSUJIAMGFYNW-UHFFFAOYSA-N 278.421 3.991 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2ccccc2C(F)F)C1 596933305 JUPHNKAXDHNQMI-LLVKDONJSA-N 293.317 3.782 30 20 CHED Cc1sc(NC(=O)Cc2ccc(C#N)cc2)nc1C(C)C 597893876 JCLNVEVPLPRVEP-UHFFFAOYSA-N 299.399 3.628 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C1CCC2(CC1)CC2 598835869 YYTLRPSLGVEIEZ-UHFFFAOYSA-N 276.424 3.888 30 20 CHED N#Cc1ccccc1S[C@H]1CCO[C@@H](c2ccncc2)C1 600524455 LPKFMZDNJICMKY-JKSUJKDBSA-N 296.395 3.966 30 20 CHED COc1ccc(-c2ccc([C@H]3CCCN3)cc2C)cc1C#N 600789405 QBDZONJTVDOMGN-GOSISDBHSA-N 292.382 3.967 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1ccc(OC(F)F)cc1 602512215 RXOKTIFZAJEICI-VXGBXAGGSA-N 282.334 3.878 30 20 CHED N#Cc1cccc(CNC[C@@H]2CCC[C@H]2c2ccccc2)n1 602672016 BUCNBXBKQPIIAQ-LPHOPBHVSA-N 291.398 3.627 30 20 CHED CCOc1ccc([C@H]2CCCN2CC2(CC#N)CC2)cc1 602756266 MFGPKPGZKLPHLY-QGZVFWFLSA-N 284.403 3.916 30 20 CHED C=CCOCCCC(=O)N(CCC)Cc1ccc(C)cc1 608107498 SJMBCFPVEOHCHW-UHFFFAOYSA-N 289.419 3.716 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CSC(C)C 609564902 PBLWRJOEPKXTFQ-UHFFFAOYSA-N 269.454 3.723 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc3occc3s2)C1 609880158 AOCALQRVZRSHLF-BMIGLBTASA-N 288.372 3.697 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-c2ccco2)s1 610811200 HSPLPNXDUUBEGE-CYBMUJFWSA-N 288.372 3.676 30 20 CHED C[C@@H](Cc1ccc(F)cc1)NC1(c2cccc(C#N)c2)CC1 611476113 GLGPDYGIFJILEV-AWEZNQCLSA-N 294.373 3.907 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccccc2OC(F)(F)F)C1 612406843 VLXVQZDUZKNMKX-AWEZNQCLSA-N 298.308 3.711 30 20 CHED C[C@]1(C#N)CCCN(Cc2cscc2Cl)C1 612407061 YMBJMQJQBXTJFK-GFCCVEGCSA-N 254.786 3.527 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)CCC 615612561 PRVKKJRYKXTUFO-CQSZACIVSA-N 290.407 3.581 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 617782837 NIMOWXVFOHLSOK-LLVKDONJSA-N 281.758 3.907 30 20 CHED C=CCN(C(=O)c1cccc(-n2cccc2)c1)C(C)(C)C 622943050 MFVCECULNMLQKE-UHFFFAOYSA-N 282.387 3.904 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1c(Cl)cccc1OC)OCC 637782269 CAUCGPHCDSIVPO-CYBMUJFWSA-N 297.782 3.658 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C(C)(C)C)n[nH]1 642632411 OCZFBGXFKMMKQF-UHFFFAOYSA-N 297.402 3.536 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCCC[C@H]1C 651793128 ZTHHZUBDWDSHEH-WCVJEAGWSA-N 251.414 3.526 30 20 CHED C=CCC(C)(C)CNC(=O)N(Cc1ccc(C)o1)C1CC1 655965795 PPDJPOYGKNVOMN-UHFFFAOYSA-N 290.407 3.864 30 20 CHED C=CCOc1ccc(CNC(=O)N(CC)[C@H](C)CC)cc1 664867888 MIQVPLABKAEQJT-CQSZACIVSA-N 290.407 3.581 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(Cl)ccn2)C1 667049064 RLLKSELZLQBMQF-NSHDSACASA-N 279.771 3.555 30 20 CHED C=CC[C@H]1CCCN(CCCc2ccc(C)nc2)C1 668492568 CWKPZJNZSLTOQX-KRWDZBQOSA-N 258.409 3.611 30 20 CHED C=CCN(C(=O)c1ccc(-c2ccco2)s1)C1CC1 678499440 GGSVTSDSVPUXSD-UHFFFAOYSA-N 273.357 3.799 30 20 CHED C=C[C@H](Cc1nc(C2CCC2)no1)c1ccccc1 680693477 KMPODBJJPVZMMY-GFCCVEGCSA-N 254.333 3.849 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1ccc(Cl)cc1C#N 695726318 SCLPAOAMVVMNSM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H](CCC#N)N(C)C[C@H]1CCCCN1Cc1ccccc1 719939536 ZMZHMADMJJPMGT-PKOBYXMFSA-N 299.462 3.665 30 20 CHED CCCC[C@@H]1CCCC1=NNc1ccc(Cl)nn1 727250810 WVYLYKQMBZGCAD-SNVBAGLBSA-N 266.776 3.888 30 20 CHED CCC(CC)=NNc1ccc([N+](=O)[O-])cc1Cl 727651767 PTRYZYJWOMIBOR-UHFFFAOYSA-N 255.705 3.836 30 20 CHED CCC[C@H](Cc1ccccc1)/N=C\c1ccc(O)c(O)c1O 727781725 VWXNKISAJOVOKM-VUFYJBQKSA-N 299.370 3.634 30 20 CHED C/C(=C\C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1 728181165 PYZGFGKPARFSPN-DHZHZOJOSA-N 298.292 3.878 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNCCCc2ccccc2)o1 729146453 XVTSZPCYZBCLOK-WMLDXEAASA-N 282.387 3.959 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(OCC#N)c1)C2 730949170 PVHNKEYBPWUYDE-YBEGLDIGSA-N 289.334 3.720 30 20 CHED C#CCOc1cccc(NC(=O)c2cc(C)c(C)s2)c1 730978033 RZKVPCKETGUKKU-UHFFFAOYSA-N 285.368 3.629 30 20 CHED C=CC[C@@H](NC(=O)/C=C/c1cccs1)c1ccncc1 734235192 YHZIADNRZGOYKK-LQYUOIDQSA-N 284.384 3.590 30 20 CHED Cc1ccc(F)c(C=NNc2cc(F)c(F)cc2F)c1 734978783 BMEBGTXHAMASJN-UHFFFAOYSA-N 282.240 3.997 30 20 CHED Cc1ccc(CCOC(=O)/C=C\c2ccccc2C#N)cc1 735401573 GYIDQAFFUNMFQK-KHPPLWFESA-N 291.350 3.666 30 20 CHED C=CCC(=NNc1cncc(Cl)n1)c1ccc(F)cc1 735613292 YOZQSVZXIVGGOT-UHFFFAOYSA-N 290.729 3.661 30 20 CHED CCn1ccnc1S[C@@H](C)c1ccc(C#N)cc1 735618257 LJGMUVBWNVFSKJ-NSHDSACASA-N 257.362 3.628 30 20 CHED C=C(Cl)CN1C[C@H](c2ccc(F)cc2)C[C@@H]1C 736945244 FSXMXKURIKJOJZ-WCQYABFASA-N 253.748 3.756 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)CC(C)(C)c1ccccc1 737037011 DZUIKARDFAULOW-CYBMUJFWSA-N 294.826 3.795 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C[C@@H]1CCOC1 739525997 SMUDYUBBFFRLKO-GJZGRUSLSA-N 269.429 3.526 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2CC)C12CCC2 741163405 RGCIZXHNHKNFMI-MRXNPFEDSA-N 272.392 3.996 30 20 CHED Cc1cc(NN=C2CCC[C@@H]2c2ccc(F)cc2)ncn1 741164475 MUDWCSCPTJACDH-CQSZACIVSA-N 284.338 3.660 30 20 CHED COCc1ccc(C=NN[C@@H](C)c2ccccc2)cc1 741762886 VQOIULMJLUVUEV-AWEZNQCLSA-N 268.360 3.518 30 20 CHED Cc1ccc(N2CCC[C@@H](/N=C\c3ccccc3O)C2)cc1 741842746 IIBKGICXAUIQQD-VJOZSWGJSA-N 294.398 3.789 30 20 CHED COc1ccc(C)cc1C(C)=NNc1ccc(Cl)nc1 743450983 WBWVPOHWNHNYIY-UHFFFAOYSA-N 289.766 3.888 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N[C@@H](C)[C@@H]1CCOC1 743544639 XWIRNCKMWUDWPD-HRCADAONSA-N 298.471 3.707 30 20 CHED CCCN(Cc1ccccc1F)C(=O)C#Cc1ccccc1 747355302 NEUPCNJHIBLIHJ-UHFFFAOYSA-N 295.357 3.616 30 20 CHED Cc1cccc2ncc(/C=C3/Cc4c(F)cccc4C3=O)n12 748997179 HIEWCZDWZVKEGY-WQLSENKSSA-N 292.313 3.604 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C(C)c1ccsc1 749104022 HQLWHXZWVYCDPP-UHFFFAOYSA-N 291.332 3.501 30 20 CHED C/C(=C/C(=O)N(C)c1ccc(C#N)cc1)C(C)(C)C 749151653 WPXLYNJSDBVDMK-BENRWUELSA-N 256.349 3.513 30 20 CHED O=C1/C(=C/c2cccc(F)c2)Cc2c(F)ccc(F)c21 749583194 VGQGRJOUJFPHND-UXBLZVDNSA-N 274.241 3.926 30 20 CHED COC(=O)c1occc1/C=C1\C[C@@H](C)c2ccccc2C1=O 751535315 IYNBMYFFOMIUOF-BVRAVYJCSA-N 296.322 3.840 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2ccc(C#N)[nH]2)cc1 752503168 YYLFQOIIFGFJEA-WBVHZDCISA-N 294.354 3.688 30 20 CHED Cc1cccc(NC(=O)N2CCC[C@@](C)(C#N)C2)c1Cl 752685138 LHLBLISLHIQAGR-HNNXBMFYSA-N 291.782 3.806 30 20 CHED Fc1ccc(Cl)cc1C=NNCCc1ccccc1F 753707222 FTFMOJHBUZSIPY-UHFFFAOYSA-N 294.732 3.784 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)/C(C)=C\c1ccccc1Cl 755544065 WOFPCVQRWYWAKE-VWLVURMCSA-N 290.794 3.751 30 20 CHED CCc1nc(C=NNc2cccc(Cl)c2F)cs1 755673834 QSBKFKQFBLTUAF-UHFFFAOYSA-N 283.759 3.944 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 755822599 KSCSKSUSGAQBEG-ZDUSSCGKSA-N 298.726 3.515 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccccc1Cl)OCC 756479425 ZNOBJYPILHHCGH-CQSZACIVSA-N 282.767 3.755 30 20 CHED C=CCCC(C)=NNc1nc2cc(F)c(F)cc2[nH]1 758105365 UMWPSLNIBRJUDF-UHFFFAOYSA-N 264.279 3.595 30 20 CHED C#CCCCC(=O)Nc1cnc(-c2ccccc2)s1 758933166 BCQSRFRUGIHTHA-UHFFFAOYSA-N 270.357 3.552 30 20 CHED COc1cc(F)cc(NN=Cc2cc(C)ccc2F)c1 759207233 UFMIYNNZOVENFG-UHFFFAOYSA-N 276.286 3.728 30 20 CHED C[C@H](C(=O)OCc1cc(F)ccc1C#N)C1CCCC1 759361245 VUAFNGLKAHELII-NSHDSACASA-N 275.323 3.567 30 20 CHED Cc1cc(/C=C/C(=O)c2ccccc2)cnc1Cl 760266137 ZGMBQRSVUIKNDA-BQYQJAHWSA-N 257.720 3.940 30 20 CHED C=CCCC(=O)COC(=O)c1cc2c(s1)CCCCC2 761348190 LWLBCUFNFAOSBA-UHFFFAOYSA-N 292.400 3.709 30 20 CHED CC1(c2ccccc2)CC(=NOCC(F)(F)F)C1 764847982 XOTMPJHUQJJYCT-UHFFFAOYSA-N 257.255 3.673 30 20 CHED Cc1ccc(C=NNCc2ccccc2)cc1Cl 766432933 MLRSXKYYPIDLIV-UHFFFAOYSA-N 258.752 3.772 30 20 CHED Cc1nc(Cl)cc(NN=C2CC[C@@H](C)[C@H](C)C2)n1 767381413 XDTPYGMZNZULHD-RKDXNWHRSA-N 266.776 3.662 30 20 CHED CC(CCC1CC1)=NNc1nncc2ccccc12 768764942 XUDPMPOOAIDBDU-UHFFFAOYSA-N 254.337 3.608 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)OCc1ccc(C#N)cc1F 769177207 HZQLWCHGJNAZBT-WCQYABFASA-N 275.323 3.567 30 20 CHED C#CC[C@@H](NCCc1ccccc1F)c1ccccc1 769536701 BZVZESWEKNVQBT-GOSISDBHSA-N 267.347 3.722 30 20 CHED N#Cc1ccc(OC(=O)c2cc(F)cc(Cl)c2)c(F)c1 769740765 VNWRTTSTXVRIMA-UHFFFAOYSA-N 293.656 3.709 30 20 CHED N#Cc1ccc(CNN=C2CC[C@@H]2c2ccccc2)cc1 769792793 KSWZBHMPOGXURO-QGZVFWFLSA-N 275.355 3.581 30 20 CHED C#CCCCCC(=O)Nc1nc2c(s1)CCCCCC2 773281514 HZUJNIZLKRAMSF-UHFFFAOYSA-N 290.432 3.934 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CCCC3(C)C)[nH]c12 774104315 RBPZJHSOISFFDS-QWHCGFSZSA-N 295.386 3.874 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cc(C(=O)OC)co2)cc1 774119839 ODBFLKXTTSENCH-KTKRTIGZSA-N 298.338 3.915 30 20 CHED Cc1oc2ccccc2c1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 774593798 QXNUKQMFHRXWSM-HEHGZKQESA-N 268.360 3.853 30 20 CHED O=[N+]([O-])c1ccccc1CC(=NOC1CCCC1)C1CC1 774602202 GFHJPFPCJKRKGF-UHFFFAOYSA-N 288.347 3.863 30 20 CHED CC(C)[C@H]1C[C@H]1COC(=O)c1cc2ccccc2n1CC#N 774861477 JJLMBZBVAHBJOX-LSDHHAIUSA-N 296.370 3.614 30 20 CHED Cc1ccc(N=Cc2cccc(O)c2O)cc1OC(C)C 775233508 NSJMWBMKJNFTHI-UHFFFAOYSA-N 285.343 3.944 30 20 CHED N#CC1(COC(=O)c2cc3c(s2)CCCCCC3)CC1 775827561 LLJPICFCLPPSTQ-UHFFFAOYSA-N 289.400 3.868 30 20 CHED C#CCCOC(=O)CCCc1ccc2ccccc2c1 776083117 QJMDZKGVHKBMQW-UHFFFAOYSA-N 266.340 3.729 30 20 CHED C#CCN(CC)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 776238335 JCEXVRYDAMGFBJ-INIZCTEOSA-N 298.430 3.552 30 20 CHED CC(C)[C@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 776391018 JHNGVXMXRKOZKL-HNNXBMFYSA-N 273.376 3.909 30 20 CHED Cc1cc(Cl)cc(C(=O)OCCC(C)(C)C#N)c1 776395199 ITPQJGCUMNCMMZ-UHFFFAOYSA-N 265.740 3.745 30 20 CHED Cc1cc(C(=O)OCCCCC#N)nn1C1CCCCC1 776434065 TUVVWZDFYWGOIL-UHFFFAOYSA-N 289.379 3.547 30 20 CHED CCCCCCCCCNC(=O)[C@H]1CCO[C@H](C)C1 776462610 YDMBSBDRWSEGAM-CABCVRRESA-N 269.429 3.668 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)Cc2ccccc2CC#N)C1 776979955 KMWLJOZUSIGENQ-INIZCTEOSA-N 298.430 3.580 30 20 CHED C=CC[C@@H](C(=O)O[C@@H]1C=CCCC1)c1ccccc1 778418102 KMVZYZXECFEYMG-HZPDHXFCSA-N 256.345 3.998 30 20 CHED C#CCCCCCc1nc(-c2ccc(F)c(F)c2)no1 779744099 UUHYMPROABICKS-UHFFFAOYSA-N 276.286 3.751 30 20 CHED C#CCCCCCC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 779759863 JEFZBKZBGZLABS-IBGZPJMESA-N 299.414 3.846 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ccc2[nH]ncc2c1 779818640 LUJFGPPXUHLHEE-UHFFFAOYSA-N 276.343 3.634 30 20 CHED C[C@@H]1CC(C(=O)OCc2cccc(C#N)c2)C[C@@H](C)C1 780231786 FZJPNEPNMOMIGT-STQMWFEESA-N 271.360 3.674 30 20 CHED N#Cc1ccc(NC(=O)CCCc2ccsc2)cc1 783370853 CSANDNWOGLOBSW-UHFFFAOYSA-N 270.357 3.581 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)Cc1ccccc1Cl 785522860 CLCWRRZHVOFGMW-MLGOLLRUSA-N 279.811 3.990 30 20 CHED CC1CCC(=CC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 786368049 IPLRNENOYHRYRK-UWBLVGDVSA-N 294.398 3.798 30 20 CHED C=C[C@](C)(CC)COC(=O)c1cccc(NC(=O)OC)c1 786521268 RJZACGSZBWYWCJ-MRXNPFEDSA-N 291.347 3.624 30 20 CHED CC(=NN1CCC(C(C)(C)C)CC1)c1cccnc1 790180130 ANSYBAXPTLRJHT-UHFFFAOYSA-N 259.397 3.564 30 20 CHED CCO[C@H]1CC(=NNc2ncccc2C)C12CCCCC2 790191046 PWLMHMWKYASQBB-HNNXBMFYSA-N 287.407 3.917 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)[C@H](C)c1ccc(C)cc1C 791068430 UGCZLVIBMDMYCT-HZPDHXFCSA-N 286.419 3.808 30 20 CHED C#CC[C@@H](NC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1ccccc1 793129611 PFVKEYAJROYANJ-IAGOWNOFSA-N 298.430 3.971 30 20 CHED Cc1ccc(CC(=NNc2ncncc2F)C(C)C)cc1 793226311 QPXHYFGOAQAQLG-UHFFFAOYSA-N 286.354 3.591 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(F)cn1 793534782 PYOMJHJGOONODG-ZDUSSCGKSA-N 250.361 3.835 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCOC2(CCOCC2)C1 793546983 HIJSMHZKKBOOQV-IRXDYDNUSA-N 295.467 3.829 30 20 CHED CSCCON=C1CCCc2[nH]c3ccc(F)cc3c21 794576926 KTWDVCNOQXBNRT-UHFFFAOYSA-N 292.379 3.727 30 20 CHED COc1ccc(C(=O)/C=C\c2cccs2)c(C)c1OC 794737162 BMIWXBYIWSUEKC-VURMDHGXSA-N 288.368 3.970 30 20 CHED CCC(CC)NN=C1c2ccccc2CC12CCOCC2 794907827 CBKVFOQEWHCYKI-UHFFFAOYSA-N 286.419 3.522 30 20 CHED CCc1ccc(C=NOCC[C@@H](O)c2ccccc2)cc1 795198610 BVPHURYKLMTDLQ-GOSISDBHSA-N 283.371 3.723 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc[nH]c2C(C)C)c1 796127858 QXVAUWQYVUUZIY-UHFFFAOYSA-N 280.371 3.786 30 20 CHED N#Cc1ccc(OC(=O)c2cc(C3CC3)cnc2Cl)cc1 796506174 LGGOVEUMKPWQQW-UHFFFAOYSA-N 298.729 3.703 30 20 CHED C#CCN(Cc1ccccc1)Cc1ncc(C(C)(C)C)o1 796640375 YIHWWEOXEYMNRO-UHFFFAOYSA-N 282.387 3.608 30 20 CHED Oc1ccc(Cl)cc1/C=N/C[C@H]1CCC(F)(F)C1 797399348 WSJXMPWCYUIDGI-PCYPHTAMSA-N 273.710 3.900 30 20 CHED Cc1cc(CN(CCC#N)CCC(C)C)cc(Cl)n1 797591158 WQLOYKTWFFIXQB-UHFFFAOYSA-N 279.815 3.805 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)no1 798229863 FZISAEZTZZYORU-YFHOEESVSA-N 296.370 3.869 30 20 CHED COc1cc(CNC[C@H](C)c2cccc(F)c2)ccc1C#N 799335015 KWVCAOZFTYWXOX-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED Cc1ccc(C(=O)N(CC2CCC2)C(C)C)cc1C#N 799375898 KECLPLKSOTYFNH-UHFFFAOYSA-N 270.376 3.517 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1ccccn1 802039994 CXYPWQZHJSQUJC-GVDBMIGSSA-N 290.366 3.624 30 20 CHED N#CCCCCCC(=O)NC1CCCCCCC1 805150873 KJCHIKPQUHTVJM-UHFFFAOYSA-N 250.386 3.690 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(Cl)cc1C 806097243 OSDZPRYNOUTTHL-LBPRGKRZSA-N 264.756 3.572 30 20 CHED C=CCCCCCCCCNC(=O)N1CCOC[C@H](C)C1 807592971 WTYYRUIEVZNBAX-MRXNPFEDSA-N 296.455 3.581 30 20 CHED CC(C)C[C@H]1CCCC(=NN[C@@H]2CCSC2)C1 807999732 ABYQBQPRNWSXCR-TZMCWYRMSA-N 254.443 3.674 30 20 CHED C=C(Br)CN(C)[C@H](CC)c1cccc(OC)c1 808762304 ZAPYEHOMFBYWOL-CQSZACIVSA-N 298.224 3.987 30 20 CHED C#CCCCc1nc(-c2ccc(O[C@@H](C)CC)cc2)no1 809406953 JSFZGZHZAVOTSM-ZDUSSCGKSA-N 284.359 3.870 30 20 CHED CCCCCCC[C@H](C)N[C@@H](c1nncn1C)C(C)C 809691911 NYRVFRMMLVKJFH-LSDHHAIUSA-N 280.460 3.851 30 20 CHED C=CCCCCOC(=O)c1ccc2oc(C)nc2c1 811010728 XNFHZLCQPGJJKE-UHFFFAOYSA-N 259.305 3.649 30 20 CHED C=CCCCCOC(=O)[C@@H]1Cc2ccccc2S1 811012625 RGLCLYWAHFJENB-AWEZNQCLSA-N 262.374 3.603 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NOC/C=C\Cl 811670385 RCEJUHJBLTUHKD-UYDLJBNWSA-N 277.755 3.641 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(F)cc1OC(F)F 811670922 IPVZJTDFWWHDME-OSZIDVQMSA-N 293.672 3.920 30 20 CHED Cc1ccc2c(c1)/C(=C\c1ccc(F)c(C#N)c1)C(=O)N2C 811698221 JKXSPPWSMOMTDX-OQLLNIDSSA-N 292.313 3.523 30 20 CHED C#C[C@H](NC(=O)[C@H]1CC12CCCC2)c1ccc(Cl)cc1 811944749 IYJCPGOTSPIAOW-CABCVRRESA-N 287.790 3.711 30 20 CHED C(=NN[C@@H]1CCSC1)c1ccc(C2CCCC2)cc1 812229717 NHHTYCDAKPIQGU-MRXNPFEDSA-N 274.433 3.773 30 20 CHED COCCC(COC)=NNc1c(C)cccc1C(C)C 812231794 FMLORXHSHSHHBF-UHFFFAOYSA-N 278.396 3.569 30 20 CHED C#CCON=C1CCC[C@H]1c1ccc(C(F)(F)F)cc1 812232950 KWGYQDICSLKURL-ZDUSSCGKSA-N 281.277 3.979 30 20 CHED Clc1ccc2cccnc2c1C=NOCC1CC1 814245070 QFRBWMPZPCQMNJ-UHFFFAOYSA-N 260.724 3.649 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cccc(CO)c1 814753278 JLZFRTKPBUDADY-UHFFFAOYSA-N 268.360 3.632 30 20 CHED CCCNN=C(C)c1sc(-c2ccccc2)nc1C 814804323 JSYVEBLEDPMCJF-UHFFFAOYSA-N 273.405 3.842 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNCC(C)C 814892560 XNHVOGJCKFZZNK-NVXWUHKLSA-N 274.408 3.571 30 20 CHED CCCCCC(C)=NNC(=S)Nc1ccc(OC)cc1 818216695 MVJAUOAKRXXOBC-UHFFFAOYSA-N 293.436 3.938 30 20 CHED CC(=NNc1cc(C)nc(C)n1)[C@@H]1CCCC[C@@H]1C 834940437 MBLRRUHXYAEDLQ-IINYFYTJSA-N 260.385 3.708 30 20 CHED COCC1CCC(=NOCc2ccc(F)cc2)CC1 834968622 NDBIZHHCVRJXEZ-UHFFFAOYSA-N 265.328 3.535 30 20 CHED CC(CCc1ccc(F)cc1)=NN[C@@H](C)C(F)(F)F 834996975 XLHRRYMXUNMPEZ-JTQLQIEISA-N 276.277 3.675 30 20 CHED CC(C[C@H]1CCOC1)=NNc1c(C)cccc1Cl 835011779 TXQZRFBQKRDTKN-GFCCVEGCSA-N 266.772 3.863 30 20 CHED CC(Cc1cnccn1)=NNc1ccc(C(C)C)cc1 835018377 MTIKXQVAKRSFMJ-UHFFFAOYSA-N 268.364 3.631 30 20 CHED C#CCCCCCCOC(=O)[C@H]1CC12CCSCC2 835712732 JVLAXHOCGFIIHK-CQSZACIVSA-N 280.433 3.647 30 20 CHED C=CCC1(C(=O)OCc2nnc(C3CC3)s2)CCCC1 838286017 ZMQZVAGWEARPLQ-UHFFFAOYSA-N 292.404 3.595 30 20 CHED CCCCCCC[C@@H](C)CNCc1ccc(C)nn1 840883629 USYABDANKOVOMZ-CQSZACIVSA-N 263.429 3.871 30 20 CHED Cc1occc1CNc1ccc(OC(C)C)c(C#N)c1 840884253 LFLYQUKTNOHCHY-UHFFFAOYSA-N 270.332 3.859 30 20 CHED C/C(=C\C(C)(C)C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 841238112 BEILDAKJLGRNAX-JLHYYAGUSA-N 299.418 3.864 30 20 CHED CC(=NO[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1cccs1 841633555 PKMMOCBQOALSKW-OUCADQQQSA-N 265.378 3.771 30 20 CHED Cn1cc(NN=C2CC[C@@H](c3cccc(Cl)c3)C2)cn1 841635558 NGNPTQUCNFHNPD-GFCCVEGCSA-N 288.782 3.809 30 20 CHED COc1cccc(/C=C/C(=O)c2coc(C(C)C)n2)c1F 844553748 WRLYDVODDLYUAM-BQYQJAHWSA-N 289.306 3.842 30 20 CHED C/C(=C\c1ccco1)C(=O)OCCCCC(C)(C)C#N 848838125 VQSJPHZCHJNWLM-ACCUITESSA-N 275.348 3.946 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cn(C)nc2C)c(C)c1 849245767 MOKRNNCWKVRWQX-VQHVLOKHSA-N 298.386 3.722 30 20 CHED C=C[C@H](OC(=O)C[C@@H](C)SC)c1ccccc1 851452150 PDTARNVRRVJHSZ-YPMHNXCESA-N 250.363 3.599 30 20 CHED C=CCN(C[C@@H](O)c1cc2ccccc2o1)C(C)(C)C 852554799 WPUBNTBNEHLNNE-CQSZACIVSA-N 273.376 3.753 30 20 CHED FCC[C@@H]1CCCC1=NNc1ccnc(Cl)c1 853394873 BOHCACYGNVIJIH-VIFPVBQESA-N 255.724 3.663 30 20 CHED C=C(C)CN(C)c1ccc(C(F)F)cc1[N+](=O)[O-] 853470719 QUXQCEUXPSPKHQ-UHFFFAOYSA-N 256.252 3.545 30 20 CHED C#C[C@H](CC)NC(=O)N(Cc1cccc(Cl)c1)C(C)C 854070905 UFKJVENFLNPMNB-OAHLLOKOSA-N 292.810 3.672 30 20 CHED C#CCCCN[C@H](C)c1ccc(C(F)(F)F)nc1Cl 856776810 IZCPRCDYPNPVRJ-SECBINFHSA-N 290.716 3.818 30 20 CHED CCCc1ccc(/C=C/C(=O)c2cnn(C)c2C)s1 857203192 ZDYAXFPDOGGMAG-CMDGGOBGSA-N 274.389 3.639 30 20 CHED C/C=C(\CC)C(=O)N(c1ccc(C#N)cc1)C1CCC1 857676233 KNSQMNOQYCOPQM-LZWSPWQCSA-N 268.360 3.800 30 20 CHED Cc1ccccc1SC[C@@H](C)CN1CCC(C#N)CC1 859106050 SIRUJIAHWJFJNX-AWEZNQCLSA-N 288.460 3.959 30 20 CHED CCCCCCCCCCC(=O)N1CCc2nc[nH]c2C1 861758630 BJFMQXULXQKPAG-UHFFFAOYSA-N 291.439 3.825 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(C(C)C)c2)nn1C 863195961 SUJJKQZEAVWBLR-HJWRWDBZSA-N 268.360 3.748 30 20 CHED N#Cc1c(F)cccc1OC(=O)OC1CCCCC1 867011182 IVHSQJMYYKAHGQ-UHFFFAOYSA-N 263.268 3.545 30 20 CHED CCCC1(C(=O)Nc2cc(C#N)c(F)cc2F)CCC1 876347735 TXIWOZIKPPGERH-UHFFFAOYSA-N 278.302 3.745 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H]1CCc2ccccc21 878076933 XROXJPRTAGYQJD-OAHLLOKOSA-N 257.377 3.735 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccccc1COC(C)C 878133297 HZYPTPAWBSJYDE-UHFFFAOYSA-N 289.419 3.830 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 880179134 WJBAEMKUBMRXPI-TZMCWYRMSA-N 273.376 3.617 30 20 CHED CCN(C(=O)Nc1cc(C#N)ccc1F)[C@@H](C)C(C)C 888355080 KKEUCCUHNAZXDC-NSHDSACASA-N 277.343 3.596 30 20 CHED C=C[C@@H](CC(=O)Nc1ncc(CC)o1)c1ccccc1 889390593 YTZNFFNXEFUUCE-LBPRGKRZSA-N 270.332 3.535 30 20 CHED C=CCC1(NCc2cnn(C)c2C2CC2)CCCCC1 894743586 NJXVHLXVTUURLZ-UHFFFAOYSA-N 273.424 3.666 30 20 CHED CSCC1CCN(c2c(C#N)cnc3ccccc23)CC1 896211334 PHGVQYMLPHQRJO-UHFFFAOYSA-N 297.427 3.686 30 20 CHED C=C1CC(c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 896876477 GTATZRIXHVEWGV-UHFFFAOYSA-N 299.330 3.737 30 20 CHED Cc1c(C(=O)/C=C/c2cccc3c2OCC3)cnn1C(C)C 899369082 QAFNHAOHYOVKPU-BQYQJAHWSA-N 296.370 3.603 30 20 CHED CCc1cc(N)nc(SCCCCC2(C#N)CCC2)n1 901547366 KZCUHCRVHVDHMP-UHFFFAOYSA-N 290.436 3.577 30 20 CHED CC[C@@H](NCc1ccsc1)c1cccc(C#N)c1 902747871 YDHOQEQOWRAYBQ-OAHLLOKOSA-N 256.374 3.861 30 20 CHED CC[C@H](NCCCCn1ccnc1C)c1cccc(C#N)c1 902819980 YVCNSKUADSIHJJ-SFHVURJKSA-N 296.418 3.584 30 20 CHED N#CC1(CN[C@@H](Cc2ccncc2)c2cccs2)CCC1 903034866 CYELHGMALNWYRL-HNNXBMFYSA-N 297.427 3.710 30 20 CHED N#CC1(CCCCN2CCNc3ccccc32)CCC1 903749660 NYMRMXDMAUUULD-UHFFFAOYSA-N 269.392 3.783 30 20 CHED COc1ccc(-c2ccc(C3(C#N)CC3)cc2)c(OC)c1 904889820 QJVGHIWRHJMZTC-UHFFFAOYSA-N 279.339 3.926 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)OCc1ccc(C#N)cc1 920731412 WCLQWPVEQNUOLT-BBRMVZONSA-N 271.360 3.818 30 20 CHED N#Cc1cccc(/C=C2/Cc3c(F)cccc3C2=O)c1 921263498 FIIPHUUABZNWQL-JYRVWZFOSA-N 263.271 3.520 30 20 CHED C[C@H](NC1CCN(CC#N)CC1)c1csc2ccccc12 925001895 HRUCDCAUVMSVAE-ZDUSSCGKSA-N 299.443 3.540 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)N[C@H](C)CC(C)(C)C#N 925710070 VZEHGPOOSDXCEL-IOASZLSFSA-N 292.398 3.820 30 20 CHED C=CCCN(C)C(=O)NCCc1ccccc1SCC 926505256 GBVDWVITZUWHQV-UHFFFAOYSA-N 292.448 3.559 30 20 CHED C=CCC[C@@H](NCc1cc(C2CC2)nn1C)c1ccco1 927101790 OPDLGSFINVUAGX-OAHLLOKOSA-N 285.391 3.688 30 20 CHED CC[C@H](C(=O)N1CCC[C@@H](C#N)C1)C1CCC(C)CC1 928217387 AHVLXDCRIXIXME-GRAKBVBRSA-N 276.424 3.601 30 20 CHED C=CCCNC(=O)Nc1cccc(COC(C)(C)C)c1 933200742 SMGQQXXWRQWHNN-UHFFFAOYSA-N 276.380 3.699 30 20 CHED C=CCONC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1117852313 HLZQVKLSEGBMAO-UHFFFAOYSA-N 288.174 3.505 30 20 CHED CC#CCCCc1nnc(-c2ccc(Cl)cc2)o1 1118362218 HPLHGZYMNXVPRB-UHFFFAOYSA-N 260.724 3.736 30 20 CHED CCCCC1CCC(C(=O)[C@H](C#N)c2nccn2C)CC1 1122517607 FZOCOIGXCVOKHC-NRXISQOPSA-N 287.407 3.593 30 20 CHED N#C[C@@H](C(=O)C12CCC(CC1)CC2)c1nc2ccccc2o1 1122519554 YFZXYLSNOSBBLF-XYEKJYRLSA-N 294.354 3.974 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1c[nH]c2ccccc12 1157072553 NYZHTIXEDLUHOB-UHFFFAOYSA-N 275.311 3.600 30 20 CHED Cc1ccc(Cl)c2c1N(Cc1cc(C#N)ccn1)CCC2 1194941138 FGLXWAHUPAADLL-UHFFFAOYSA-N 297.789 3.868 30 20 CHED C=CCn1cnnc1S[C@H](C)c1ccccc1Cl 1251155733 IREBZSPSKHUCCB-SNVBAGLBSA-N 279.796 3.971 30 20 CHED CCC[C@H](NCc1ccc(C#N)c(OC)c1)C(C)(C)C 1308409886 XCHSYXSGSJNZJV-INIZCTEOSA-N 274.408 3.871 30 20 CHED CC(C)(C#N)NC(=O)c1ccc2c(c1)oc1ccccc12 1323391858 DCVDNIVAZWZPNK-UHFFFAOYSA-N 278.311 3.618 30 20 CHED C#CCO[C@H](C)c1nc(Cc2ccc(C(C)(C)C)cc2)no1 1324600859 FIHACLJZDUYSKS-CYBMUJFWSA-N 298.386 3.669 30 20 CHED Cc1ccc(CN(C)C(=O)c2csc(C#N)c2)cc1C 1325194070 PJCQGMBEZCMBES-UHFFFAOYSA-N 284.384 3.509 30 20 CHED CC[C@H](COC(=O)c1cccc(C#N)c1C)CC(F)F 1327065006 FRPIAFHMBSADDX-NSHDSACASA-N 281.302 3.705 30 20 CHED CC[C@H](C)CC=NNc1cncc(Br)c1 1330720513 INKOXHZOFKNGEI-VIFPVBQESA-N 270.174 3.678 30 20 CHED C=CCC1(C(=O)Nc2ccc3occc(=O)c3c2)CCCC1 1337622881 AUWFHALCYZXTPQ-UHFFFAOYSA-N 297.354 3.868 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccccc1CCC(F)(F)F 1337669622 BTRVFLIWZGKULD-NSHDSACASA-N 298.308 3.556 30 20 CHED C=C(C)CCC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 1338983725 RZMJTUNSCLKITE-UHFFFAOYSA-N 297.358 3.909 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CC[C@@H](C)C(C)(C)C1 1343612523 HZNUSWSIJGYZCD-LLVKDONJSA-N 298.381 3.664 30 20 CHED C=C(C)C(C)(C)c1nnc(-c2ccc(OC)c(OC)c2)o1 1346637269 BMXYTMIOMXVGAS-UHFFFAOYSA-N 288.347 3.608 30 20 CHED Cc1ccc(C(C)(C)CNc2nccc(C)c2C#N)cc1 1472687038 PWYLVDHRMPDTOG-UHFFFAOYSA-N 279.387 3.960 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1ccc(C#N)s1 1516595678 LOFMASZQPSFJKB-GFCCVEGCSA-N 278.421 3.956 30 20 CHED Cc1ccc(N(C)C(=O)c2cc(C#N)ccc2F)cc1C 1519684051 MRSDSFSESZKRGL-UHFFFAOYSA-N 282.318 3.591 30 20 CHED Cc1nc2ccc(NC(=O)c3cc(C#N)ccc3C)cc2o1 1524581715 XHQUXOMXQZQUKZ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED N#Cc1cc(F)cc(NC(=O)C[C@@H]2CCc3ccccc32)c1 1535145863 MUZUNFWLQIPVRI-AWEZNQCLSA-N 294.329 3.756 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 1535893439 YLGKJZQPKCZQKB-IRXDYDNUSA-N 294.329 3.748 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC1(C)C 1536677598 XZRUBKVPTITPIO-GXTWGEPZSA-N 290.794 3.766 30 20 CHED CC(C)COc1cccc(Nc2ncc(C#N)cc2F)c1 1559075452 ZBDVSZYMMBDJFD-UHFFFAOYSA-N 285.322 3.871 30 20 CHED C[C@H]1C[C@H](CCNC(=O)c2ccc(C#N)cn2)CC(C)(C)C1 1586399929 WXKGKYQJBPWEOZ-KBPBESRZSA-N 299.418 3.536 30 20 CHED C=CC[C@H](C)S[C@@H](Cc1ccc(C)cc1)C(=O)O 1602837522 ZMKYHTSKADNCCN-JSGCOSHPSA-N 264.390 3.689 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccc(C(=O)O)o1 1607498789 OIUBINBGOBYVAF-SOFGYWHQSA-N 295.294 3.664 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)C1CCCCCC1 1612237699 VETJSECQNQYCJU-NSHDSACASA-N 261.344 3.863 30 20 CHED N#Cc1c[nH]ccc1=NCC1(c2cccc(Cl)c2)CCC1 1612775053 ZKGGRHMZVSWYSR-UHFFFAOYSA-N 297.789 3.562 30 20 CHED CC(C)c1cnc(SCc2cc(C#N)ccn2)n1C1CC1 1613562608 RJMUSTYMBDLKEL-UHFFFAOYSA-N 298.415 3.900 30 20 CHED CCCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1C 1623674859 ZTPGSEKEBQCWDJ-UHFFFAOYSA-N 294.354 3.908 30 20 CHED N#C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C1CC1 1640816277 ITXABWNIXZCXJB-CYBMUJFWSA-N 289.791 3.920 30 20 CHED CCC1(CC)[C@H](Nc2nccc(C)c2C#N)[C@H](C)[C@H]1OC 1651699492 RWKYEMIPRFJMAR-NWANDNLSSA-N 287.407 3.513 30 20 CHED COc1cc(OC[C@H]2CCC[C@H](C)C2)ccc1C#N 1651953087 DHPLYKUUDSKOQM-STQMWFEESA-N 259.349 3.772 30 20 CHED C[C@H](CSc1ccccc1)N(C)CC1(CC#N)CC1 1654136187 OLTDLZOLIBETDE-CQSZACIVSA-N 274.433 3.793 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(F)c(C#N)c1 1668160852 PVAJWIJGSYHGGV-MEDUHNTESA-N 289.354 3.788 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@@H](C)C[C@H](C)CC)C1 1776154485 DBEYEGYDYFOAHP-VYDXJSESSA-N 281.440 3.802 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(C[C@H](CC)CCCC)C1 1776159317 IFRJCYXQNNNBPP-GDBMZVCRSA-N 267.413 3.556 30 20 CHED CCCc1ccc(/C=C/c2nc(C(=O)O)ccc2C#N)s1 1776833287 QGDIEIIMKJFPKH-VQHVLOKHSA-N 298.367 3.836 30 20 CHED Cc1cc2c(s1)C/C(=C/c1ccc(C(=O)O)s1)C2=O 1777428147 YKFFNOCOFLXNAH-YVMONPNESA-N 290.365 3.639 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2cc(Cl)cs2)c1 1777684841 IYELFIZIHRDMQA-PLNGDYQASA-N 292.743 3.996 30 20 CHED N#Cc1cccc(CSc2ncnc3sccc23)c1 6115371 MIKMCTDHHKUOHW-UHFFFAOYSA-N 283.381 3.855 30 20 CHED N#Cc1ccc(F)c(CSc2ccc(C(=O)O)cc2)c1 19399583 CWSFTTCNSXHNPI-UHFFFAOYSA-N 287.315 3.688 30 20 CHED CCOc1ccc([C@@H]2CCCN2c2ncccc2C#N)cc1 26761129 VROFRJDPDMBLTD-KRWDZBQOSA-N 293.370 3.693 30 20 CHED CN(Cc1cccc(C#N)c1)c1nc2ccccc2s1 30522726 BQZLYHCKWCTLMT-UHFFFAOYSA-N 279.368 3.804 30 20 CHED Cc1sc(NC(=O)/C=C\c2cccs2)c(C#N)c1C 33318481 SPWKTHJTULXIPQ-WAYWQWQTSA-N 288.397 3.950 30 20 CHED CCN(CC)C[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 41680761 HNARSGYVWDGZAK-LLVKDONJSA-N 299.340 3.719 30 20 CHED CCOc1cccc([C@H](C)Nc2ccc(C#N)cn2)c1 49469428 XTIKGYDKAMPEQR-LBPRGKRZSA-N 267.332 3.525 30 20 CHED C[C@H](c1ccco1)N(C(=O)c1cccc(CC#N)c1)C1CC1 56186365 CSBXLSSDRCGPCG-CYBMUJFWSA-N 294.354 3.711 30 20 CHED Cc1ccc(CCCCC(=O)OCCCC#N)cc1 58338219 VLILSOLJZPQGGX-UHFFFAOYSA-N 259.349 3.555 30 20 CHED CC(C)N(CCOc1ccccc1C#N)Cc1ccccc1 58822987 QNLNCMBTABDXBE-UHFFFAOYSA-N 294.398 3.848 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCCc3sccc32)c1 61362564 UEWDFPSVRZWMBN-OAHLLOKOSA-N 286.375 3.926 30 20 CHED N#CCCSc1ccccc1NC(=O)C1CC=CC1 77743081 LXXJTXZHYAYMBJ-UHFFFAOYSA-N 272.373 3.597 30 20 CHED N#Cc1ccc(NCC[C@@H](O)c2ccccc2)cc1Cl 78519506 MBURPABLJLJJKR-MRXNPFEDSA-N 286.762 3.747 30 20 CHED N#Cc1ccc(N[C@@H]2CSc3ccccc32)c(F)c1 83748574 CPBAYADPTBLUQU-CQSZACIVSA-N 270.332 3.956 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1cc(C#N)cs1)CCC2 84109620 AOYKRIKZMVPXIA-UHFFFAOYSA-N 282.368 3.521 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1cccc(-c2ccoc2)c1 89822708 PWQUWCXOUQEASI-HNNXBMFYSA-N 282.343 3.615 30 20 CHED CCN(Cc1ccoc1)c1ccc2cc(C#N)ccc2n1 92894157 DOVWXQQEGWWNFD-UHFFFAOYSA-N 277.327 3.726 30 20 CHED CCCCOc1cc(CN(C)[C@@H](C)CC#N)ccc1OC 93090724 AOIFSJBMYWMZIM-AWEZNQCLSA-N 290.407 3.608 30 20 CHED C[C@@H](Cc1ccccc1Cl)NCc1cc(C#N)cs1 93492363 FIQGFWHFUCAEIW-NSHDSACASA-N 290.819 3.994 30 20 CHED N#Cc1ccc(N2CCC[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] 94592896 JTFUSESGLOSRLW-DOMZBBRYSA-N 285.347 3.625 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](CC)c1ccccc1 103364492 GGOZRZPZOFXEPZ-OAHLLOKOSA-N 257.377 3.771 30 20 CHED C=CC1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1 110361031 KRHBEJKYERNGMK-MDZDMXLPSA-N 292.382 3.673 30 20 CHED C=CC1CCN(C(=O)c2ccc(F)cc2Cl)CC1 110368898 ARKPHVMLLWOFDH-UHFFFAOYSA-N 267.731 3.517 30 20 CHED C=CC1CCN(Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 111258809 YZUTXIHGLZWYLD-UHFFFAOYSA-N 297.398 3.808 30 20 CHED C=CCn1c(SCCCCOC)nc2ccccc21 114095744 JGDOPHSCKBIDNX-UHFFFAOYSA-N 276.405 3.741 30 20 CHED CCCCCCCCC(=O)NCC1(O)CCCCCC1 114632738 UBBQCMLTGIOTSO-UHFFFAOYSA-N 283.456 3.939 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccn1C(C)C 120181391 BCQYCPVRLKBTNM-UHFFFAOYSA-N 288.416 3.959 30 20 CHED C=CCC[C@@H](NCCCNc1ccccc1)C1CC1 121249460 KEJHDCNGHLVXTQ-QGZVFWFLSA-N 258.409 3.823 30 20 CHED C=CCN(C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC 121499316 ZGPRXCZDODIDBM-ZIAGYGMSSA-N 274.408 3.645 30 20 CHED C=CCN1CCCCC[C@H]1C[C@H](O)c1ccccc1 123802159 RXSAOVNXHLTBMK-IRXDYDNUSA-N 259.393 3.541 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2CCC[C@H](O)C2)c1 125409459 PHHANRUTWLCZMQ-NEPJUHHUSA-N 298.308 3.540 30 20 CHED CCOc1cccc(CN[C@H](CCC#N)c2ccccc2)n1 130510164 NFWXXDCQXNNLGI-QGZVFWFLSA-N 295.386 3.615 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccnc1-c1ccccc1 152568564 NICDGUSFOUXBFR-CQSZACIVSA-N 296.370 3.668 30 20 CHED C=C(C)CNC(=O)NC(c1ccccc1)c1ccccc1 156184498 KDXATPNSVGSMIS-UHFFFAOYSA-N 280.371 3.651 30 20 CHED CC[C@@H](C#N)NC(=O)CC1CCC(C(C)(C)C)CC1 158895523 IFXFXJCNVSBWOZ-RUXDESIVSA-N 264.413 3.647 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@H](O)CCC)cc1 163638867 ZWCCMLVLZHDQGW-UKRRQHHQSA-N 297.826 3.630 30 20 CHED CC(C)(C#N)CCCN1CCO[C@H](c2cccc(F)c2)C1 174843328 KBDPNZWPKRZVDS-INIZCTEOSA-N 290.382 3.529 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 175074785 HOINNJVAWPMZHY-PKOBYXMFSA-N 283.415 3.705 30 20 CHED C=CCCCC(=O)N1CC[C@@H](CSc2ccccc2)C1 176048989 VYTMJRIFXYHEKD-OAHLLOKOSA-N 289.444 3.984 30 20 CHED N#Cc1ccc(/C=C2/CCOc3ccccc3C2=O)s1 176407957 NYKIICOSDSEAKH-LUAWRHEFSA-N 281.336 3.669 30 20 CHED Cc1ccsc1C(=O)N(C)c1cc(Cl)ccc1C#N 176426211 MLIWBFXUDDWPEX-UHFFFAOYSA-N 290.775 3.858 30 20 CHED COc1ccc(/C=C2/Cc3ccc(OC)cc3C2=O)cc1 176938975 ISYZNXVUHUZCOX-ZROIWOOFSA-N 280.323 3.526 30 20 CHED C=CCOc1ccc(CN(CCCCO)C(C)(C)C)cc1 177847700 GVGQGBUNZQLIJI-UHFFFAOYSA-N 291.435 3.624 30 20 CHED N#Cc1ccccc1SCc1cnc(Cl)s1 178253211 NJYOLVKDEKHHKA-UHFFFAOYSA-N 266.778 3.960 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)C2(c3ccccc3)CCCC2)C1 179926618 YWWRSYZSQQXRRS-GOEBONIOSA-N 283.371 3.734 30 20 CHED C#CCCCCC(=O)Nc1ccccc1SCCC#N 180087004 BMRXLODOTBAYEV-UHFFFAOYSA-N 286.400 3.824 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 180340060 YLBQBYOQNOVAMZ-CYBMUJFWSA-N 294.395 3.580 30 20 CHED C=C(C)CN(C)C(=O)CCc1nc(C)c(-c2ccccc2)o1 180435239 VSIQFZKBGLWWDB-UHFFFAOYSA-N 298.386 3.617 30 20 CHED CC(C)Oc1cccc(CO/N=C2/CCCOCC2)c1 180469210 XIIVQWBHZOGAEM-ICFOKQHNSA-N 277.364 3.547 30 20 CHED C[C@@H]1CCC[C@@H](CON=C2CCC3(CC2)OCCO3)C1 180791290 ISMDVELKZTXJFE-ZIAGYGMSSA-N 281.396 3.502 30 20 CHED CC1(C(=O)NCc2cc(C#N)ccc2F)CCCCCC1 180876224 HANMAKWYRDRPSU-UHFFFAOYSA-N 288.366 3.674 30 20 CHED COC[C@@H](C#N)Nc1ccc(OCc2ccccc2)cc1C 181336139 YUTIWYAOIGGWOQ-MRXNPFEDSA-N 296.370 3.525 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@H](c2ccccc2)C1 181423649 NIQYMHFWKFDWOD-WBVHZDCISA-N 286.419 3.930 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc(-n2cncn2)cc1 181900105 LKNXLESARUCQJI-LSDHHAIUSA-N 284.407 3.663 30 20 CHED CC(C)C[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 182059390 RUYKLLWAAQQXGS-INIZCTEOSA-N 299.462 3.547 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(COC)c1 182880173 KFAOBFMIHLNUDN-ZDUSSCGKSA-N 276.380 3.699 30 20 CHED Cc1cc2occ(C(=O)Nc3ccc(C#N)cn3)c2cc1C 185621562 RYHPYGULWDPBFO-UHFFFAOYSA-N 291.310 3.569 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCCC3)c(F)c2)C1 185728166 YGMNZBQCKMSJQQ-KGLIPLIRSA-N 287.382 3.920 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 185733902 SOEHHOBXZXACSE-SWLSCSKDSA-N 287.363 3.749 30 20 CHED CCCC(=O)Nc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 185781866 XIAUJRUZYZTQCA-GDBMZVCRSA-N 299.418 3.597 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 185961176 LXJJJXNLVMIJIA-UHFFFAOYSA-N 296.374 3.507 30 20 CHED N#Cc1ccc(CN(C(=O)C[C@H]2C=CCCC2)C2CC2)cc1 186492760 LBAIJURLZSRZJN-HNNXBMFYSA-N 294.398 3.796 30 20 CHED Cc1cnc([C@H](C)CN[C@@H](C)c2cccc(C#N)c2)s1 186772475 YJMQZBKGHYZPJW-YPMHNXCESA-N 285.416 3.778 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(F)c(F)c2)CCC1 187913258 RQLHACCQJBMDFK-UHFFFAOYSA-N 279.330 3.670 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(NC(=O)OC)cc1 188058916 FODUWOGUCKJQMS-MRXNPFEDSA-N 291.347 3.510 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)cc1 189348685 VDWXAAMFZZEVIU-CYBMUJFWSA-N 268.335 3.890 30 20 CHED Cc1ccc(NC(=O)c2cccc(F)c2C#N)c(C)c1 189375264 YTWKRMOUOHCBFH-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=CCC1(C(=O)OCc2cccc(C(C)=O)c2)CCC1 192268476 LIIQEHGCZFFPAI-UHFFFAOYSA-N 272.344 3.679 30 20 CHED C#CCCCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 192350320 WQGJKMONDXQING-VYDXJSESSA-N 269.388 3.583 30 20 CHED C=CCOc1ccc(C(=O)N(CC(C)C)C(C)C)cc1 192587065 KSFDEKNTMDRXKQ-UHFFFAOYSA-N 275.392 3.758 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(C#N)cc1)[C@H](C)CC 192708523 PUHUYRRIMZKNTG-BETUJISGSA-N 258.365 3.597 30 20 CHED N#Cc1cccc(CNCc2sccc2Cl)c1 193000421 BLTBJFUXGAAZNY-UHFFFAOYSA-N 262.765 3.563 30 20 CHED N#CCOc1ccc(CN[C@@H]2CCCc3ccccc32)cc1 194883744 XEBQCWXWJFHRFL-LJQANCHMSA-N 292.382 3.756 30 20 CHED C=CCSCCN[C@H](C)c1ccccc1SC 194920807 ZWQBXEUJGZALLN-GFCCVEGCSA-N 267.463 3.978 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)cc1 209251292 QPXHSNCYJHODFK-WAPJZHGLSA-N 288.730 3.950 30 20 CHED O=C(/C=C\c1ccsc1)c1cccc(N2CCOC2=O)c1 211314847 IOVUVOXJKCDTDE-PLNGDYQASA-N 299.351 3.601 30 20 CHED C[C@@H]1CCC[C@H](CNc2c(C#N)nnc3ccccc23)C1 226142513 BHMOHJYPXRZWNV-OLZOCXBDSA-N 280.375 3.740 30 20 CHED N#Cc1ccc(NCC[C@H]2CCCCO2)cc1Cl 227316355 ZWCBXZCSEBRTAG-CYBMUJFWSA-N 264.756 3.583 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)CCC#N 229682930 FMKPNCYRDZKAKF-UHFFFAOYSA-N 261.325 3.645 30 20 CHED C#C[C@H](CC)NCc1cc(-c2ccccc2)cs1 229900738 WBQDVKVKFNHMRD-OAHLLOKOSA-N 255.386 3.917 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2cc(C)ccc2O)cc1 255048040 VBYYKZJYZGTTGQ-POHAHGRESA-N 295.338 3.555 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)/C=C\c2ccc(Cl)cc2)C1 255317977 XTFCBWPPPRPWRS-BFDHXNPWSA-N 275.735 3.589 30 20 CHED CCOc1ccc(O)c(C=Nc2cccc(OC)c2)c1 255355987 MIOCTESDGALDMT-UHFFFAOYSA-N 271.316 3.550 30 20 CHED COCCC1(C/N=C\c2cc3ccccc3nc2O)CCC1 255437558 ZPNMCRFFJWFDDT-UNOMPAQXSA-N 298.386 3.566 30 20 CHED COc1ccccc1C=NOCc1cc(F)ccc1F 255898118 GMQLLSMWPHNHSC-UHFFFAOYSA-N 277.270 3.524 30 20 CHED Cc1cc(CNCc2ccc(C#N)o2)c2[nH]c(C)c(C)c2c1 266203582 MBESVENWYIRXTQ-UHFFFAOYSA-N 293.370 3.848 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C1\CC[C@@H](C)C1 267840370 HXYHBOWCEKPPFJ-XYGUXCPDSA-N 294.398 3.819 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CCOC2(CCC2)C1)c1ccccc1 270433897 XHLCWLRVWIIJNI-NVXWUHKLSA-N 299.414 3.564 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(C#N)ccc1C 271639444 ZWCWSOOXETYPIO-GXTWGEPZSA-N 271.364 3.662 30 20 CHED CCN(Cc1ccc(CO)cc1)[C@H](C)c1ccc(C#N)cc1 272324018 LCAMNXGBVYTCFF-OAHLLOKOSA-N 294.398 3.634 30 20 CHED C[C@H]1C[C@@H](NCCCC#N)c2ccsc2S1 273250540 KXDLGSRCWDPLHT-GXSJLCMTSA-N 252.408 3.567 30 20 CHED C=CC[C@@H](C(=O)N(C)CCCOC(C)C)c1ccccc1 275027191 OHQUYSVUYBJIRK-QGZVFWFLSA-N 289.419 3.620 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(SCCC(F)(F)F)c1 280180822 HWXHJRPJGAOFQB-UHFFFAOYSA-N 276.239 3.511 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C)s1 280788525 JDSLNYZIRLDMGZ-YDHLFZDLSA-N 265.422 3.688 30 20 CHED C=C[C@@H](CC(=O)N1CCC=C(C)C1)c1ccccc1 280825012 VYRCXYWDCOWNDF-HNNXBMFYSA-N 255.361 3.525 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1cccc(CC#N)c1 283735755 ZWSKTRUMQCWPTR-CQSZACIVSA-N 284.403 3.793 30 20 CHED C=CCC[C@H](NCC1(SC)CC1)c1ccco1 287641009 UORVVESPGQLJSS-LBPRGKRZSA-N 251.395 3.772 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 288604979 MTANDMFQBNFHPT-WCQYABFASA-N 288.391 3.747 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2ccnc(C#N)c2)n1 293113693 HDHNAMAHQNJJCY-SMDDNHRTSA-N 282.347 3.687 30 20 CHED CC#CCCCc1nc(C2(c3ccccc3OC)CC2)no1 293426392 VJFPWWIMHQTUSO-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)C[C@H]1C 294567665 ZSRAOAHNMADFIY-CKEIUWERSA-N 284.403 3.589 30 20 CHED C=CCCc1noc(C2CC(O)(CCC(C)(C)C)C2)n1 297264089 KGODWPPPJZXRRU-UHFFFAOYSA-N 278.396 3.623 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N1CCCc2cc(C#N)ccc21 297680063 GQKLMKIAHPKSBV-CHWSQXEVSA-N 270.376 3.520 30 20 CHED N#Cc1nc(NCCc2c[nH]c3ccccc23)ccc1Cl 301139132 GDGOOMWLUKXQAU-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C=CCOc1ccccc1CNc1cc(Cl)nc(C)n1 301268557 QHBYEJUPBXEFJF-UHFFFAOYSA-N 289.766 3.615 30 20 CHED N#Cc1nc(NCCOC2CCCCCC2)ccc1Cl 301268915 GHBBFLLDVPGDQQ-UHFFFAOYSA-N 293.798 3.758 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1ncc(-c2ccccc2)o1 301373387 UWUPNHUQMMWZMF-LBPRGKRZSA-N 290.326 3.781 30 20 CHED N#Cc1ccc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)nn1 302015917 YLCQZEMCKMULEL-MRXNPFEDSA-N 298.777 3.955 30 20 CHED CN(CC[C@@H]1CCCO1)c1ccc(C#N)c(C(F)(F)F)c1 302721922 POTNAPMOZBTJIQ-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED N#Cc1cccc(C#N)c1N1CCCC2(CCCCC2)C1 302886722 NGPHWBIMRPEJRX-UHFFFAOYSA-N 279.387 3.981 30 20 CHED Cc1cc(C)cc(N/C(N)=N/CCC2=CCCCC2)c1 303701276 IFKGTCOAKQJHDR-UHFFFAOYSA-N 271.408 3.921 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(C)CCCCC2)c1 308190432 JEAWNTABJOGXHP-UHFFFAOYSA-N 256.349 3.776 30 20 CHED C=CCOCCN[C@@H](CC(C)(C)C)c1ccccc1 311711761 JZCXEJGKVJPGMR-INIZCTEOSA-N 261.409 3.956 30 20 CHED CN(C(=O)C1C2CC3CC(C2)CC1C3)c1ccccc1C#N 316221573 OLJZPYKCWJPYHN-UHFFFAOYSA-N 294.398 3.593 30 20 CHED N=C(O)[C@@H]1CC[C@H](/C(O)=N/[C@H]2CCCCC23CCCC3)O1 329637103 VMMAXODOPZWFHB-XQQFMLRXSA-N 294.395 3.529 30 20 CHED Cc1noc([C@H](C)/N=C(/O)Nc2cccc(C(C)C)c2)n1 330439245 QZNJUEDGFSMERZ-JTQLQIEISA-N 288.351 3.589 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@@H]2CCO[C@H](C(C)C)C2)s1 330621596 BPAXSCRQSYQXKG-NEPJUHHUSA-N 296.436 3.522 30 20 CHED CS[C@H](C/N=C(/O)c1cc(C#N)oc1C)C(C)(C)C 331215077 CETSLIOIUXYKNY-GFCCVEGCSA-N 280.393 3.542 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 331543861 NGNZPBRLBFIHDO-UAGQMJEPSA-N 297.402 3.534 30 20 CHED Cc1cc(-c2nc([C@H]3CCC[C@H](C)C3)no2)ncc1C#N 331590632 BDIHSFRNCUVSHI-JQWIXIFHSA-N 282.347 3.605 30 20 CHED C[C@H](NC(=O)N1CCC[C@H]2CCC[C@@H]21)c1ccc(C#N)cc1 331747036 ZIRUAZMXBAMBJH-XKQJLSEDSA-N 297.402 3.593 30 20 CHED Cc1cccc2cc(C(=O)N[C@@H](C#N)C3CCCCC3)oc12 332320056 JISKJWMZRZCZHZ-HNNXBMFYSA-N 296.370 3.944 30 20 CHED CC(C)(CNC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCC1 333581400 RKTGLNLXHXMCTN-SFHVURJKSA-N 288.435 3.793 30 20 CHED N#Cc1ccc(Oc2cccc(C(=O)N3CCCC3)c2)cc1 334461811 PMLJDGBIVPIJLN-UHFFFAOYSA-N 292.338 3.587 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 335758467 VGONHXSWWYZYDB-JTQLQIEISA-N 286.281 3.730 30 20 CHED C[C@@H](C(=O)Nc1ccccc1Cl)c1cccc(C#N)c1 336031239 CVWDAICYRQMGTI-LLVKDONJSA-N 284.746 3.954 30 20 CHED Cc1ccc2sc(C(=O)N3CCC(CC#N)CC3)cc2c1 336350889 LEQPDVUKFLPMNQ-UHFFFAOYSA-N 298.411 3.976 30 20 CHED CC(C)COCCSCc1ccc(F)cc1C#N 336972463 QNMKXLKOOBPRQH-UHFFFAOYSA-N 267.369 3.603 30 20 CHED C=CCCN(CCc1ccccn1)Cc1ccc(OC)cc1 338543294 LYJPXHPSUANOLE-UHFFFAOYSA-N 296.414 3.711 30 20 CHED N#Cc1cnc(NCCc2c[nH]c3ccccc23)c(Cl)c1 339136095 ITUFQPQPODBDJU-UHFFFAOYSA-N 296.761 3.743 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 340070452 GKBYIDFWNVIIRI-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1 341116573 WCKHCBCOXOFNFW-UHFFFAOYSA-N 296.301 3.514 30 20 CHED Cc1nsc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1C#N 342288791 DVMHKMTUJCYNQW-QJPTWQEYSA-N 261.394 3.704 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1csc(-c2ccoc2)n1 343258655 JILIDOHYWNOGPQ-LLVKDONJSA-N 290.388 3.878 30 20 CHED Cc1ccnc2ccc(C(=O)Nc3cccc(C#N)c3)cc12 349046238 QNDNENJCAOTYBM-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1ccc2[nH]ccc2c1 350315376 CJXNCYRVTAZHCE-UHFFFAOYSA-N 289.338 3.706 30 20 CHED Cc1ccn(Cc2ccc(SC(C)C)cc2)c(=O)c1C#N 352326721 MPWKWHNCYKZDJB-UHFFFAOYSA-N 298.411 3.577 30 20 CHED N#C[C@H]1CC[C@H](NCCn2ccc3cc(Cl)ccc32)C1 353864746 JGMFHKNPAMGAKK-WFASDCNBSA-N 287.794 3.577 30 20 CHED C=CCCC1(C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 353880463 YXXKCPSBHIGMNA-UHFFFAOYSA-N 294.398 3.799 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(-c3cc(C#N)cs3)n2)C1 356229257 XZAQMMQOFWJLGD-MWLCHTKSSA-N 273.361 3.963 30 20 CHED CCCNc1ccccc1NC(=O)c1ccc(CC#N)cc1 359852684 HXKPEYACSLNSHM-UHFFFAOYSA-N 293.370 3.827 30 20 CHED N#Cc1c[nH]c2ccccc2c1=NCc1coc2ccccc12 361021051 CQYGNPSCNMLZTD-UHFFFAOYSA-N 299.333 3.887 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](Oc2ccccc2)C1 364070254 CDQSSRIRNKLJMP-NVXWUHKLSA-N 287.403 3.659 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2c([nH]c3ccccc23)C1 366997031 KVTKYHLUESIBQJ-ZDUSSCGKSA-N 297.402 3.590 30 20 CHED C[C@H]1CCCC[C@@H]1CNc1ccc(OCC#N)cc1 394774423 BNTJZAFBHXEKMY-UONOGXRCSA-N 258.365 3.827 30 20 CHED CC[C@@H]1CN(c2c(C#N)cnc3ccccc23)C[C@@H](CC)O1 398419086 BNDCMAIOAXFMFM-HUUCEWRRSA-N 295.386 3.500 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccc(OCC)cc2[nH]1 410126500 AIBCQRNMXCESEJ-ZDUSSCGKSA-N 286.375 3.651 30 20 CHED C=CC[C@H](CC)NC(=O)C/C=C\c1ccccc1F 410135324 FRVWIDIVRIRGFL-YHAOYDPOSA-N 261.340 3.700 30 20 CHED CCN(Cc1ccc(CN2CCCCC2)cc1)C[C@H](C)C#N 411211989 UCOYTIXRTLPFSQ-QGZVFWFLSA-N 299.462 3.654 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)CC(F)F 411705328 AXBCJCYMMFBLKX-LBPRGKRZSA-N 297.345 3.501 30 20 CHED CCc1ccc([C@@H]2CCN(c3ncc(C#N)cc3F)C2)cc1 413299723 IMDAEUVVKKWMMX-MRXNPFEDSA-N 295.361 3.649 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)COC(C)C 414539482 SEBRONCTILREDZ-RDJZCZTQSA-N 261.409 3.577 30 20 CHED CCC1(C(=O)N2CCc3cc(C#N)ccc32)CCCCC1 416009968 GHWOVBMTLQFXDZ-UHFFFAOYSA-N 282.387 3.808 30 20 CHED CCC(C)(C)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416094434 FRDVKMGIMGDDGO-MRXNPFEDSA-N 284.403 3.878 30 20 CHED C=CCOCc1nc([C@H]2CCC(C)(C)c3ccccc32)no1 420510055 TXWHIKRSIADLDM-AWEZNQCLSA-N 298.386 3.976 30 20 CHED C=C(CC)CNC(=O)N[C@@H](CC(F)F)c1ccccc1 420856868 GOKBYQDOZBGQFC-ZDUSSCGKSA-N 282.334 3.648 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H](C3CC3)C2)s1 424206958 PUHOWRHPMWBRIM-QWHCGFSZSA-N 260.406 3.678 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(Br)cnc1C 424875022 PDFOBOIAPISOBP-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C[C@H](Cc1cccs1)Nc1ncc2c(c1C#N)CCC2 425202499 CDNHOMAGYPOMQU-LLVKDONJSA-N 283.400 3.547 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C)C[C@H]1F 425416054 HZFREUGPGWKKLX-MFKMUULPSA-N 287.787 3.664 30 20 CHED C=CCCCCN[C@@H](C)CCc1ccc(OC)c(O)c1 426363330 AAPWNXMQXMIZPR-AWEZNQCLSA-N 277.408 3.668 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]2c2ccccc2)cn1 426889975 PLTYGBNKOZYAPK-IAGOWNOFSA-N 263.344 3.701 30 20 CHED N#Cc1ccncc1NC[C@@H](c1ccccc1)C1CC1 431497156 WJHPFUIMPPHNQU-INIZCTEOSA-N 263.344 3.559 30 20 CHED Cc1cc(C)cc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 435047293 FKJLDKHBDOUANC-UHFFFAOYSA-N 290.366 3.845 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccccc1C(F)(F)F 435738746 UEDSBFYQLIAXKR-ZFWWWQNUSA-N 299.336 3.776 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C)c2ncccc2c1 435744118 DBLZZOOZMZTIEE-MJGOQNOKSA-N 296.414 3.614 30 20 CHED Cc1cccc([C@H]2CCN(c3c(C#N)cccc3C#N)C2)c1 436317991 ARBCZLRCMFGBRO-SFHVURJKSA-N 287.366 3.732 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(F)cc1C#N 441464303 AJNJTLAMNPDRFR-XNJGSVPQSA-N 272.367 3.850 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CC[C@H](C#N)C1 442708448 JFGMRHNSBXOIJH-GUTXKFCHSA-N 272.392 3.883 30 20 CHED C=CCC[C@@H](CC)NCc1ccncc1OCC(F)F 442856124 NPEQXJMJLCNZIG-CYBMUJFWSA-N 284.350 3.560 30 20 CHED CC[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(C#N)cc1 447529148 KPKZJGZYWMYDMK-ZWKOTPCHSA-N 292.382 3.603 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 448820935 DQVXVBNWBYAZDN-PVAVHDDUSA-N 299.414 3.506 30 20 CHED CCN(Cc1ccncc1F)[C@H](C)c1ccc(C#N)cc1 449015476 STCXCULUZFXXNJ-CYBMUJFWSA-N 283.350 3.675 30 20 CHED CCC(CC)(CC)CNC(=O)[C@]1(C#N)CC12CCCC2 450119096 WSXUGWUJMLUPGF-QGZVFWFLSA-N 276.424 3.793 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1c1ccnc(C#N)c1 450593100 ASTCLMKQLYIHTI-LBTNJELSSA-N 277.371 3.724 30 20 CHED N#Cc1cc(CN[C@H]2CCC23CCCC3)ccc1F 451461378 UFTWIYWDUIGSRS-HNNXBMFYSA-N 258.340 3.510 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1cccc(C2CC2)c1 454832781 HSZMCBBNDZNGLV-GFCCVEGCSA-N 258.365 3.500 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OC(F)F)cc1F 455444826 ZMWXGDBJNBRFRG-UHFFFAOYSA-N 288.269 3.515 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)[C@H](C)C1 455911552 FKTYQMWIDXJLBF-XJKCOSOUSA-N 285.391 3.699 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C2CC2)[C@H](C)C2CC2)c1 455978778 CLQAAXZDZKHIPM-GFCCVEGCSA-N 283.375 3.662 30 20 CHED C=C(CC)CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 456809149 ARBLTVLQGTYESW-MNOVXSKESA-N 281.758 3.665 30 20 CHED C=C(CC)CNC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 456810416 FPTZRHWQLDJPND-GFCCVEGCSA-N 293.794 3.631 30 20 CHED C=C(CC)CNC(=O)[C@H](CC)Sc1ccccc1 456830657 RNIUFVKQJYFGDI-AWEZNQCLSA-N 263.406 3.640 30 20 CHED CC[C@H](CC(=O)NCC(C)(C)CC#N)c1ccccc1 457997567 VQVRVKLLECAQOT-CQSZACIVSA-N 272.392 3.626 30 20 CHED C[C@@H](Cc1ccccc1Cl)C(=O)NCC(C)(C)CC#N 457998721 XTLUNDKBXIXZDG-LBPRGKRZSA-N 292.810 3.575 30 20 CHED CC(C)(CC#N)CNC(=O)Cc1cccc(Cl)c1Cl 458013649 BKAJLVQEOJIYGL-UHFFFAOYSA-N 299.201 3.592 30 20 CHED C[C@H]1C[C@H](NCC(C)(C)CC#N)CCN1Cc1ccccc1 459726286 DSWKYXIBOQIJCJ-FUHWJXTLSA-N 299.462 3.569 30 20 CHED CC(C)COc1cccc(CNCC(C)(C)CC#N)c1 459729607 KFZOHOAVBBDDIM-UHFFFAOYSA-N 274.408 3.751 30 20 CHED C[C@H](C(=O)N1CCC[C@H]1C1CCCC1)c1cccc(C#N)c1 461930997 KMHYQLVWZRCKKM-KSSFIOAISA-N 296.414 3.843 30 20 CHED CCC[C@]1(C)CCCN(c2nc3c(cc2C#N)CCC3)C1 463064302 ZUIATIXTONJUIE-GOSISDBHSA-N 283.419 3.849 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1CCC(C)C 466320962 RDVBSJHJSOOLKG-HUUCEWRRSA-N 266.429 3.951 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 466477669 PJZINLOMQBJVFA-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED C=CCCN(C)C(=O)[C@@H](OC1CCCC1)c1ccccc1 466639138 AAFWQMDQGVZPAC-KRWDZBQOSA-N 287.403 3.721 30 20 CHED C=CCC[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl 468047521 HULYCQXYGQRWKI-JTQLQIEISA-N 268.744 3.693 30 20 CHED C=CCCCCN[C@H](C)c1cccc([N+](=O)[O-])c1C 471578639 SJVTWAZKNPZLBV-CYBMUJFWSA-N 262.353 3.910 30 20 CHED C=CCCCCNC(=O)Cn1ccc2ccc(Cl)cc21 471714064 PCACMBXNWMGRCX-UHFFFAOYSA-N 290.794 3.767 30 20 CHED C=C(C)CNC(=O)N1CCC(c2cccc(Cl)c2)CC1 474767424 IYBHDYIYVGCHLQ-UHFFFAOYSA-N 292.810 3.805 30 20 CHED C=C(C)CN(C)CC(=O)N(CC)c1cccc2ccccc12 481284937 MMJWDSMQROYEGH-UHFFFAOYSA-N 296.414 3.701 30 20 CHED Fc1ccc(C#CCN2CC[C@H](c3ccc(F)cc3)C2)cc1 483111171 DIICHPAWKIEACX-KRWDZBQOSA-N 297.348 3.806 30 20 CHED CC#CCCNC(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 483426385 CXESGFUMMCGSGT-SJLPKXTDSA-N 298.430 3.625 30 20 CHED Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1Cl 486842873 QRPHEXXOPRQTIK-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1csc([C@@H](NCc2ccc(C#N)c(C)c2)C2CC2)n1 488162428 XCRGWMFFFCRMBI-INIZCTEOSA-N 297.427 3.873 30 20 CHED CC[C@](C)(NCc1ccc(C#N)c(C)c1)c1nccs1 488245882 CEASAFGXHRKFPF-INIZCTEOSA-N 285.416 3.738 30 20 CHED N#Cc1c(F)cccc1Cn1cc(-c2ccccc2)cn1 488250085 ZYXDFOHGLWRGBR-UHFFFAOYSA-N 277.302 3.609 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](C)c1cc2ccccc2s1 491743588 XSXAEFANSIRFOR-NWDGAFQWSA-N 286.400 3.625 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCC(C)(CC(C)C)CC1 494733599 BNOLENBRRCTGNN-GOSISDBHSA-N 295.467 3.890 30 20 CHED Cc1ccc(C)c(-n2ccnc2SCC2(C#N)CC2)c1 500766951 CXBRMCWBWLBTPA-UHFFFAOYSA-N 283.400 3.885 30 20 CHED CCCCC1CCC(NC(=O)Cc2ccc(C#N)cc2)CC1 501578193 NDCATCKKAZCIDZ-UHFFFAOYSA-N 298.430 3.966 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)CC1CCCC1 508491988 VJOBXQSBVUVKAR-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED COC(=O)CCc1ccc(Nc2cccc(F)c2C#N)cc1 511425084 JUWGPOMBXYGZCH-UHFFFAOYSA-N 298.317 3.547 30 20 CHED CCCC[C@H](NC(=O)NCC(C)(C)CCC#N)C1CCC1 513113555 PEBPXJOCAJSXPT-HNNXBMFYSA-N 293.455 3.974 30 20 CHED CC(C)c1ccc(CN(CCC#N)CC2CC2)cc1 513741577 PJBNMPQTRWZDBW-UHFFFAOYSA-N 256.393 3.936 30 20 CHED Cc1cccc(N(C)Cc2ccc(C#N)cc2)c1C 515511737 PEYRRXBRYYFYOA-UHFFFAOYSA-N 250.345 3.812 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2C)nc(C2CC2)n1 522566744 PREYYECGDCSRSG-UHFFFAOYSA-N 265.316 3.635 30 20 CHED CC[C@H]1CCCN(Cc2ccc(F)cc2C#N)CC1 522711938 YACQYHPINXZJNM-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED C=CCCC1(C(=O)Nc2cccc3c2ccn3C)CC1 527242971 YFNIVUNUZGJJER-UHFFFAOYSA-N 268.360 3.863 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2nc(OC)ccc2c1 528382029 NSDYUVWZSCVKPD-UHFFFAOYSA-N 297.358 3.512 30 20 CHED N#CCCN(Cc1ccsc1C(F)(F)F)CC1CC1 529527337 BDVKIHLFFIDOBT-UHFFFAOYSA-N 288.338 3.893 30 20 CHED Cc1cc(C)cc(CCC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 533230302 STRLLKKWLVMKPB-AUUYWEPGSA-N 298.430 3.825 30 20 CHED CC(C)(NCc1cccc(C#N)c1F)c1cccc(F)c1 539313220 YJLMFIOAWJXRET-UHFFFAOYSA-N 286.325 3.861 30 20 CHED Cc1ccnc(N2C[C@H](C)C[C@@H]2c2ccccc2F)c1C#N 541276924 CFZBPOKHSYQZPA-SJKOYZFVSA-N 295.361 3.988 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 544354194 WVKTULZWPRCTLA-ARFHVFGLSA-N 296.455 3.624 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)CC(C)(C)c1ccc(C)cc1 552049906 IECNHPKZMFVAPS-GOSISDBHSA-N 286.419 3.671 30 20 CHED C=CCC[C@H](NCCN1CCC[C@H](C)C1)c1ccco1 552254625 NYOLELHYHALUAQ-HOTGVXAUSA-N 276.424 3.608 30 20 CHED Cc1cc(N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc(C#N)n1 553415788 YAHHOKNGZDXNRA-IFXJQAMLSA-N 291.398 3.892 30 20 CHED CC[C@@H](CNc1cc(C#N)ccn1)c1ccccc1 557477038 KQHKJQKJHBEZRQ-AWEZNQCLSA-N 251.333 3.559 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccnc(N3CCCC3)c2)no1 558285017 HSNGAXXETNKYPQ-KRWDZBQOSA-N 298.390 3.586 30 20 CHED C[C@H]1C[C@H](CCNc2ccc(F)cc2C#N)C[C@@H](C)O1 558783834 DRVXAZAFYMQWQK-CLLJXQQHSA-N 276.355 3.703 30 20 CHED CCc1cnc(COc2c(C#N)cnc3ccc(C)cc23)o1 558989828 STEUQNYFKWBDHQ-UHFFFAOYSA-N 293.326 3.544 30 20 CHED N#Cc1ccc(CN2CCCCCc3ccccc32)nc1 564665216 HLRVVGRPVILEEZ-UHFFFAOYSA-N 277.371 3.686 30 20 CHED CCCC1(C(=O)N[C@@H](C#N)c2ccc(CC)cc2)CCC1 564684892 LOLORHPRLFOCNN-INIZCTEOSA-N 284.403 3.900 30 20 CHED CCCOc1cc(C)ccc1NC[C@@H](C#N)CCC#N 564864921 SZYLHXIXGRRPFX-CQSZACIVSA-N 271.364 3.639 30 20 CHED C=CCn1cccc1C(=O)N(CC)c1ccccc1C 567442333 ZMEZLWJLPJFBNH-UHFFFAOYSA-N 268.360 3.649 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N[C@@]1(C#N)CC1(C)C 567614808 FIUHNINIZQQDHN-CZUORRHYSA-N 262.397 3.567 30 20 CHED C=CCCCCN[C@@H](COC)c1cccc(Cl)c1 571724505 MAZSKSGAXQACAU-HNNXBMFYSA-N 267.800 3.973 30 20 CHED C[C@@H](NC(=O)C(C1CCC1)C1CCC1)c1ccc(C#N)cc1 572430046 QDDVOQNRHMCPEX-CYBMUJFWSA-N 296.414 3.952 30 20 CHED Cc1nnc([C@@H](C)Sc2cccc(F)c2C#N)s1 576479520 GFXGALMRRUQLND-SSDOTTSWSA-N 279.365 3.711 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@@H]2CCCC[C@H]2C)no1 576731944 OBXOSBCHXBMWOD-ZWNOBZJWSA-N 282.347 3.605 30 20 CHED Cc1ncc(-c2ccccc2)cc1NC(=O)[C@]1(C#N)C[C@H]1C 576789750 QEKNOIGPBUJHSN-XIKOKIGWSA-N 291.354 3.545 30 20 CHED C=CCC1(C(=O)N2CCC(CCC#N)CC2)CCCC1 576824654 APUNAUDZRAMHKG-UHFFFAOYSA-N 274.408 3.665 30 20 CHED C=CCCC[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 581755635 WNKYHGKJJQTWDU-CXAGYDPISA-N 254.377 3.880 30 20 CHED C=CCCC1(c2nc(-c3ccc(OC)cc3)no2)CC1 583465569 QLNBAACENKDBNW-UHFFFAOYSA-N 270.332 3.743 30 20 CHED C[C@H](NC(=O)CCCCCC#N)c1ccc(F)cc1F 588147183 AXZDKHSGGMJKDM-NSHDSACASA-N 280.318 3.616 30 20 CHED CCOC1CC(CC/N=C\c2cc(Cl)ccc2O)C1 588565425 SNRYUVVXOACHBE-YVLHZVERSA-N 281.783 3.670 30 20 CHED CCc1c(NC(=O)CCCCCC#N)cnn1CC(C)C 588657548 IKXREKQXIWSQMB-UHFFFAOYSA-N 290.411 3.514 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2cccc(C#N)c2)CC1 592571844 NUIFGASBZNTVER-CQSZACIVSA-N 254.333 3.633 30 20 CHED N#CCN(C(=O)C1[C@H]2CCCC[C@H]12)c1ccc(Cl)cc1 592649329 CYMVPIWBVZGNHH-KBPBESRZSA-N 288.778 3.633 30 20 CHED CN(CCC(C)(C)C)C(=O)CSc1ccc(C#N)cc1 592683849 JQANHESHHYUHJP-UHFFFAOYSA-N 290.432 3.545 30 20 CHED N#Cc1cccc(-c2ccccc2OC[C@@H]2CCOC2)c1 592986464 OHELXKIQMPEOPZ-OAHLLOKOSA-N 279.339 3.641 30 20 CHED N#CC1(c2cccc(-c3ccc4c(c3)CCO4)c2)CC1 592989795 ZOKKBRSYKXNOSE-UHFFFAOYSA-N 261.324 3.844 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@H]1c1cccc(C)c1C 593483329 XCGZDJMEUFYYLL-HOCLYGCPSA-N 270.376 3.517 30 20 CHED Cc1ccc(-n2cc(NCC3(CC#N)CC3)cn2)c(C)c1 594705317 XOJGGFLGLTYIKO-UHFFFAOYSA-N 280.375 3.595 30 20 CHED COc1ccc([C@@H](C)N(C)CCc2ccc(C#N)cc2)cc1 595290211 STBNUIMQWUTWAO-OAHLLOKOSA-N 294.398 3.802 30 20 CHED C[C@@H](CCc1ccccc1)N1CCC[C@H](CC#N)C1 595615898 UMDDEHDKCXDGOP-DOTOQJQBSA-N 256.393 3.633 30 20 CHED C=CCCSCCNC(=O)N(C)[C@@H](C)c1ccccc1 595722770 ILOOARUFQSFSPE-AWEZNQCLSA-N 292.448 3.698 30 20 CHED CC(C)c1cccc(C(=O)NC2(C#N)CCCCC2)c1 597034205 MCQSPCAPMBJJPZ-UHFFFAOYSA-N 270.376 3.766 30 20 CHED N#CC1CCC(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 597616035 BNUZGLSXBLOLGQ-QDIHITRGSA-N 288.435 3.649 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cnc(C2CC2)o1 600114267 DOSLPYOFMGRNRY-UHFFFAOYSA-N 293.370 3.612 30 20 CHED COc1ccc(-c2ccc([C@H]3CCCN3)cc2C)c(C#N)c1 600790447 KRELZMAUCSIKKN-LJQANCHMSA-N 292.382 3.967 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1ccccc1CC#N 601200721 GCCBWTPNSXPHKN-ZDUSSCGKSA-N 272.392 3.697 30 20 CHED N#Cc1cccc(CNCC2(c3ccccc3)CCCC2)n1 602512369 XWXLVDODUDVKEC-UHFFFAOYSA-N 291.398 3.555 30 20 CHED CC1(C)CC[C@@H](NCc2cccc(C#N)n2)c2ccccc21 602544581 MLYKLVTVXTZISF-GOSISDBHSA-N 291.398 3.856 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CC(C)(C)Oc2cc(F)ccc21 602570059 GZAUENYOGPDLRF-WFASDCNBSA-N 290.382 3.957 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](C)c1ccc(CC)cc1 606168705 NIHZOEKKCKCMKQ-OAHLLOKOSA-N 271.404 3.943 30 20 CHED C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)c1ccco1 610976347 SMOBLXGYKYUPKA-HIFRSBDPSA-N 282.343 3.544 30 20 CHED CN(C(=O)C[C@@H]1CCc2ccccc21)c1ccc(C#N)cc1 610982915 YHTVNQZKFAQEHM-INIZCTEOSA-N 290.366 3.641 30 20 CHED C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1 611438810 WDWGUZYCNRVXBR-ZIAGYGMSSA-N 275.355 3.842 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC[C@@](F)(C#N)C1 615596931 VBJBJHABUKTFGV-NVXWUHKLSA-N 294.414 3.693 30 20 CHED C=C[C@@H](CC(=O)N(CC)[C@@H](C)CC)c1ccccc1 616978586 AAVXUFKUFFKJCK-GJZGRUSLSA-N 259.393 3.993 30 20 CHED CC1(C)CC[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 618806732 RPKZDYHVIGXXIX-GDBMZVCRSA-N 254.377 3.714 30 20 CHED C=CCN(C(=O)c1ccccc1SC)C(C)(C)C 622943038 LQIJQJRLGOJTDC-UHFFFAOYSA-N 263.406 3.835 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)c1ccncc1 623194244 AYKUDGPYMUXKDT-OAHLLOKOSA-N 252.361 3.831 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H](c1nccn1C)C1CC1 639304104 XBBGCWINMHZPRF-KBMXLJTQSA-N 273.424 3.596 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cc(COC)cs1 658209695 RDUUZEINPHFKET-NWDGAFQWSA-N 253.411 3.585 30 20 CHED C=CCN(Cc1oc(CCC)nc1C)C(C)(C)C 661757034 BWTMMDYDQPGVGE-UHFFFAOYSA-N 250.386 3.722 30 20 CHED C=CCCNC(=O)Nc1cccc(C(F)(F)F)c1C 666339159 LDQPSCQHHQUPBZ-UHFFFAOYSA-N 272.270 3.711 30 20 CHED C=CC1CCN(C(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)CC1 668568817 KLJUCGZOVMPUDF-ZSHCYNCHSA-N 261.409 3.627 30 20 CHED C=C(CNC(=O)Nc1ccc(OCC)cc1)c1ccccc1 672598335 VKZSCDOWWSPSCJ-UHFFFAOYSA-N 296.370 3.920 30 20 CHED CCC#C[C@H](C)N1CCC(c2c[nH]c3ncccc23)CC1 677479899 UJHOLHQBBKASLK-AWEZNQCLSA-N 281.403 3.544 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CC(C)(C)c2ccccc21 682086581 GABXFUVBRALKII-SFHVURJKSA-N 287.403 3.540 30 20 CHED CC(C)(F)CCNc1nc2ccccc2cc1C#N 698196970 UXKDPGSSTKRAJE-UHFFFAOYSA-N 257.312 3.657 30 20 CHED CSc1ccc(C)c(C(=O)N(CCC#N)CC(C)C)c1 701228598 QWYCGALFSCWBPR-UHFFFAOYSA-N 290.432 3.729 30 20 CHED C#C[C@@H](NCc1ccsc1C(F)(F)F)C(C)C 704335347 YDDYXMYUCRZFSU-SNVBAGLBSA-N 261.312 3.514 30 20 CHED CO[C@@H](C)CC/N=C/c1cc(Cl)cc(Cl)c1O 726429156 JYLDJQWCAZPCRT-CUXJQWCSSA-N 276.163 3.543 30 20 CHED CC1=CC(=NNc2oc(C(C)C)nc2C#N)CCC1 727257376 KNLZPRQASKEJED-UHFFFAOYSA-N 258.325 3.568 30 20 CHED CCOc1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1 727635089 CNTSGHNHHTXHDT-CYBMUJFWSA-N 295.338 3.875 30 20 CHED C=CCCOC(=O)c1cc(Cl)ccc1OC(C)C 729074110 BJQJDTVXAMBMTQ-UHFFFAOYSA-N 268.740 3.860 30 20 CHED CC/C=C(\C)C(=O)N(CCC#N)c1ccc(C)cc1 729348362 YYFRDFLMXDKPAI-MKMNVTDBSA-N 256.349 3.598 30 20 CHED Cc1ccc2c(c1)C(=NNc1cccc([N+](=O)[O-])c1C)CC2 730946770 MNKIPRAYMPTCAO-UHFFFAOYSA-N 295.342 3.974 30 20 CHED C=C(Br)CN1CCCc2ccc(C)cc21 732411228 WSVIDFGSLCFHJU-UHFFFAOYSA-N 266.182 3.656 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(O)cc1F 734302836 QXBCDZUWRDPUNZ-UHFFFAOYSA-N 298.239 3.785 30 20 CHED C=CCCCOC(=O)c1cc(F)cc2nc(C)c(C)nc12 735529962 AUZJNLOBUXNBLD-UHFFFAOYSA-N 288.322 3.509 30 20 CHED C=C(Cl)CNC(=O)C[C@H](c1ccccc1)C(C)C 736245383 RVPMMCXVULYVCS-AWEZNQCLSA-N 265.784 3.685 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)Oc2ccccc21 742437435 UCYVIGWTKNHCNK-JYRVWZFOSA-N 258.223 3.581 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H](C)c2ccc(C)o2)cc1 742592449 CAMFHZSMUZMBPQ-OAHLLOKOSA-N 296.370 3.947 30 20 CHED C[C@H](/N=C\c1cc2ccccc2nc1O)c1ccccn1 743537855 BBYQADDIFHCMQZ-XHEYCZLTSA-N 277.327 3.516 30 20 CHED C=C(C)CCOC(=O)CSc1ccc(Cl)cc1 744303730 SKHQHBBVKVQDLQ-UHFFFAOYSA-N 270.781 3.942 30 20 CHED Clc1cc(Cl)c(NN=Cc2cc[nH]c2)nc1Cl 745193814 HYYOYGQPNKDNHZ-UHFFFAOYSA-N 289.553 3.816 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)C1CCOCC1 746415100 YBGDVUOZCXWYFX-OAHLLOKOSA-N 298.471 3.803 30 20 CHED CC(C)(C)c1ccc(C=NOCc2cccnc2)cc1 746576535 KUKVBJYGPOIXAQ-UHFFFAOYSA-N 268.360 3.930 30 20 CHED COc1ccc(C(C)=NNc2cc([N+](=O)[O-])ccc2C)cc1 747061117 BCJFOVYIOZVLEP-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C[C@@H](CCc1ccccc1)OC(=O)c1sccc1C#N 748096910 XDAHHLCPGZMETG-LBPRGKRZSA-N 285.368 3.798 30 20 CHED C=CCCCON=Cc1c(C)nn(Cc2ccccc2)c1C 748100053 BJFDBXCESAZFQF-UHFFFAOYSA-N 297.402 3.865 30 20 CHED C=CCCCC(=O)Oc1ccc(Br)c(F)c1 748674883 QBIGGBLFJHAXSA-UHFFFAOYSA-N 287.128 3.850 30 20 CHED C[C@H](OC(=O)[C@H](C)c1ccco1)c1ccc(C#N)cc1 748679477 HHYKAIJFBLWZAG-NEPJUHHUSA-N 269.300 3.559 30 20 CHED CCOc1cc(C=NOCC(C)C)ccc1OC(F)F 749631590 MADRXWPZZIDZOB-UHFFFAOYSA-N 287.306 3.693 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cc2occc2[nH]1 750810703 XATDITFLQCODCF-UHFFFAOYSA-N 298.317 3.728 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 753246220 IZCOYSQLGZDTKH-NVXWUHKLSA-N 284.403 3.562 30 20 CHED CO[C@H](C)C(C)=NNc1cc(C(F)(F)F)ccc1F 753946078 DTAFSKIYCDDYFA-MRVPVSSYSA-N 278.249 3.667 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@]1(C)CCOC1 754169012 MTFOQJIJRDOSEJ-GOEBONIOSA-N 269.429 3.526 30 20 CHED CCc1c([C@H](C)NCC2(C#N)CC2)oc2ccccc12 754658420 UTNWFJWUBFWUHK-LBPRGKRZSA-N 268.360 3.950 30 20 CHED Oc1ccc(C=NNc2nc3ccccc3s2)cc1F 755465212 XKGUESDGZFUHDN-UHFFFAOYSA-N 287.319 3.587 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)CCc2c(O)cccc21 755599495 BVKCFIGRXLAUHD-WDZFZDKYSA-N 286.277 3.883 30 20 CHED C[C@H](NN=Cc1cc(F)cc(F)c1)c1ccccc1 755664051 GLIJBEIURKTINL-NSHDSACASA-N 260.287 3.650 30 20 CHED CC(C)CN(CCC#N)CCCOc1ccc(Cl)cc1 755670907 RYDZAPXAILBAOA-UHFFFAOYSA-N 294.826 3.981 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)[C@H]1C[C@H]1c1ccccc1 755702530 ZTEMFAQVVBMIMB-WBVHZDCISA-N 287.366 3.858 30 20 CHED FC(F)(F)c1csc(NN=Cc2ccsc2)n1 755900829 PPIZHNPXVUBHEL-UHFFFAOYSA-N 277.296 3.669 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(CC)cc1)OCC 756486432 BQBGVBWRWFBVSS-OAHLLOKOSA-N 262.349 3.526 30 20 CHED C#CC[C@H](NC(=O)NCC1(C2CC2)CCC1)c1ccccc1 757045235 AFDKUSLRVKFJOB-KRWDZBQOSA-N 296.414 3.631 30 20 CHED CC1(C)CCC/C(=C2/COc3ccc(F)cc32)C1=O 757534949 PEXQYILQGRJKHR-ACCUITESSA-N 260.308 3.751 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccc(Br)cc1 758372566 OJPMTPYUQZIVIR-BDAKNGLRSA-N 253.143 3.503 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cc(Cl)cs1 758633764 GAUSYUIXLIWYEC-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1cc(F)ccc1C#N 761492570 UALIWQPLRCLDTE-NSHDSACASA-N 277.339 3.813 30 20 CHED Cc1cccnc1NN=Cc1ccc(C(F)(F)F)s1 761831767 UXCPITWNDNLEOX-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C#CCCCCc1nc(-c2ccc(C)cc2F)no1 763314366 WWANVHOXXKOQSP-UHFFFAOYSA-N 258.296 3.530 30 20 CHED C[C@H](C=NO[C@H]1CCCCO1)c1cccc(Cl)c1 763370231 MQWWWKRGOWWNPB-RISCZKNCSA-N 267.756 3.973 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C(C)(C)C)oc2ccc(F)cc12 765634012 NWGGGVXBQPJNJG-CYBMUJFWSA-N 289.306 3.975 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Oc2ccccn2)cc1 767091611 PULIZTZXFICPIM-UHFFFAOYSA-N 294.354 3.862 30 20 CHED CC[C@H](NCCCCC#N)c1ccc2c(c1)CCCO2 768100452 AKPAFXNEMJORHD-INIZCTEOSA-N 272.392 3.746 30 20 CHED C=CCN(Cc1cc2cc(OC)ccc2o1)C(C)C 768551615 QLSWBNUHUOWPER-UHFFFAOYSA-N 259.349 3.838 30 20 CHED C=CCc1cc(CN[C@H](C)CCC)cc(OC)c1OC 772954762 OIJDJUIPRPIEFW-CYBMUJFWSA-N 277.408 3.711 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CC[C@H]2SCCS[C@H]12 776167339 CQKOGOTYHJEKLM-REWJHTLYSA-N 271.495 3.700 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1F 776726359 ISKGIQIGJMEUFM-ORCRQEGFSA-N 286.693 3.642 30 20 CHED C[C@H]1CC(=NNc2cc(Cl)ccn2)C[C@H](C)C1 777906408 AGGVZPMPTFXJSP-NXEZZACHSA-N 251.761 3.959 30 20 CHED N#Cc1ccc(C(=O)OCCSc2ccccc2)cc1 779139456 RZAXTYBDUYYRRH-UHFFFAOYSA-N 283.352 3.507 30 20 CHED Cc1cc(C=NOCc2cccnc2)ccc1Cl 779784901 SLQLENRGLCUJEV-UHFFFAOYSA-N 260.724 3.594 30 20 CHED C#CCCCCCC(=O)N1CCCc2c(F)cc(F)cc21 779839311 LTNFIXMEEXEYQI-UHFFFAOYSA-N 291.341 3.828 30 20 CHED COCC(=NNc1ccc(F)cc1F)C1CCCC1 780187815 YVBZWCQGZYAJDY-UHFFFAOYSA-N 268.307 3.569 30 20 CHED CCCCO[C@@H]1CC(=NN[C@@H]2CCOC(C)(C)C2)C1(C)C 780241381 PCQGDCIUSSQRCZ-UKRRQHHQSA-N 296.455 3.505 30 20 CHED Fc1cc(NN=Cc2ccc3ccccc3c2)ccn1 781127008 JLICHKTVASWXLD-UHFFFAOYSA-N 265.291 3.820 30 20 CHED Fc1ccc2c(c1)OCCCC2=NOC1CCCC1 781594628 CUFFNOWFAWRBKL-UHFFFAOYSA-N 263.312 3.662 30 20 CHED Cc1ccc(C)c(SCc2cccc(C(=O)NO)c2)c1 782171874 PMJVONZHNFNHBJ-UHFFFAOYSA-N 287.384 3.715 30 20 CHED C=CCCCCCN1C(=O)CN(/C=C\c2ccccc2)C1=O 783128510 ZZLIWZYVBUDOLR-OWBHPGMISA-N 298.386 3.668 30 20 CHED CCc1ccccc1CNc1cc(C#N)ccc1OC 783564889 MTMVOWSFVYQJIW-UHFFFAOYSA-N 266.344 3.741 30 20 CHED N#Cc1ccc(CON=Cc2cccs2)c(Cl)c1 783984274 HMOACSZFMNGGBD-UHFFFAOYSA-N 276.748 3.824 30 20 CHED Cc1noc(C2CC2)c1C(=O)O[C@H](C)c1cccc(C#N)c1 784863540 BIQHUCHIGPZRSO-LLVKDONJSA-N 296.326 3.650 30 20 CHED Cc1ccc(NN=Cc2ccc(C(F)(F)F)cc2C)nn1 785454202 QEBXDLOXQYTKTJ-UHFFFAOYSA-N 294.280 3.558 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C(=O)OC)c(Cl)c1 786644247 OARSDRNRXCBBHD-HNNXBMFYSA-N 296.750 3.634 30 20 CHED C[C@H]1c2ccc(Cl)n2CCN1Cc1ccccc1C#N 787654359 RJFOFDMJHCGRGO-LBPRGKRZSA-N 285.778 3.590 30 20 CHED CCC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cn[nH]c1 788995948 YYAJGPAPDNRMBZ-CYBMUJFWSA-N 284.407 3.998 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H]1CCOc2c(C)cccc21 789678397 IIEXSUHJOSJCIV-PBHICJAKSA-N 274.360 3.964 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccccc1Oc1ccccc1 789832914 DTKNVACFWKZGDJ-CYBMUJFWSA-N 280.327 3.622 30 20 CHED Cc1cccnc1NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 790187506 WWWUISLHLUWUTJ-MQYQWHSLSA-N 255.365 3.614 30 20 CHED C#C[C@H](CCC)NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 791737810 JJTCYYJALKWRGZ-GFCCVEGCSA-N 288.778 3.661 30 20 CHED C=CCCCCC[C@@H](C)NCc1cccc(F)n1 793545114 AKAWEGNQIMLTTN-CYBMUJFWSA-N 250.361 3.835 30 20 CHED C=CCCCCC[C@@H](C)NCC1(C)CCN(C)CC1 793552932 LYKXPKOCRSPFPO-MRXNPFEDSA-N 266.473 3.833 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1sccc1Cl 794624026 ASOXXAMUIJRHBO-UHFFFAOYSA-N 293.731 3.501 30 20 CHED FCCC[C@H]1CCCC1=NNc1ncccc1F 794993100 IPPZHDCGMOUVEQ-SNVBAGLBSA-N 253.296 3.538 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1ccc(CC)cc1)C1CC1 797020614 WCSWIGDWBRPWCG-MSOLQXFVSA-N 273.420 3.617 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CCCC2)s1 797568378 HUMDWWMQCXLITG-LLVKDONJSA-N 276.405 3.807 30 20 CHED C=C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)OC 799874317 GUCKGCCDMDERJU-GFCCVEGCSA-N 291.397 3.630 30 20 CHED C=CCCC(=O)OC[C@@H](OC)c1ccc(Cl)cc1 801251420 PHSFCBWFROQINL-CYBMUJFWSA-N 268.740 3.537 30 20 CHED C#CC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 803613403 YRRRPKJOHIWEKS-GJZGRUSLSA-N 275.779 3.506 30 20 CHED C=CCCCCCCNC(=O)COc1ccc(F)cc1F 805218728 LDYHWQYWZCBSJF-UHFFFAOYSA-N 297.345 3.596 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C2CC2)C(F)(F)F)cc1 806662734 PLSNXNBCAOMADX-NHYWBVRUSA-N 297.320 3.690 30 20 CHED C[C@H]1CC(=NNc2nc3ccccc3[nH]2)c2ccccc21 807946113 MOTNMLUOYNJSQM-NSHDSACASA-N 276.343 3.886 30 20 CHED CC(=NNCC1CCCC1)c1ccc2ccccc2n1 808006408 VTGITWWPQDQFAA-UHFFFAOYSA-N 267.376 3.739 30 20 CHED C#CCC1(c2nc(-c3cc(CC)ccn3)no2)CCCCC1 809493334 JWVYPLPGEZDCOT-UHFFFAOYSA-N 295.386 3.919 30 20 CHED C#Cc1ccc(CNc2ccc(N(C)C)cc2C)cc1 809595133 FNCDWYDDRXVQQU-UHFFFAOYSA-N 264.372 3.654 30 20 CHED C#C[C@H](CC)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 809686073 LENPWMCFPFQZME-SMDDNHRTSA-N 269.310 3.638 30 20 CHED C#C[C@H](NC1CC(C(F)F)C1)c1ccc(Cl)cc1F 809698690 FONVLQKWLUIIGI-RHYVWVDMSA-N 287.712 3.787 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)C1(F)CCCCC1 811248695 RQEZOGGGTVTJEL-UHFFFAOYSA-N 294.753 3.907 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)cc1O 811698655 MSGLHYPOOUQGHU-XQRVVYSFSA-N 298.338 3.619 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@@](C)(C#N)C1 811926968 GHLQRVUPXPFVCU-KRWDZBQOSA-N 291.439 3.848 30 20 CHED CC(C)OCCON=C[C@H](C)c1cccc(Cl)c1 812237761 CZKMMBZFVJAKAV-LBPRGKRZSA-N 269.772 3.871 30 20 CHED N#C[C@H](C(=O)C=C1CCCC1)c1cc(C(F)(F)F)ccn1 813218477 PMIBPJYUCDCDJB-LBPRGKRZSA-N 294.276 3.777 30 20 CHED C#CCOc1ccc(CNC(C)(C)c2ccccc2F)cc1 813791786 FNBFVFJPTKRSBL-UHFFFAOYSA-N 297.373 3.863 30 20 CHED C#CCCCCCC(=O)N1CC(C)(C)[C@H]1c1cccnc1 814134270 FLXCHIJRZLGRAI-QGZVFWFLSA-N 284.403 3.575 30 20 CHED CC(=NOCC1CC1)c1sc(C(C)C)nc1C 814241825 PFSUIHSNRUGIMD-UHFFFAOYSA-N 252.383 3.726 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCc3sccc32)cc1 814683498 CXXBTSMHIYUMBW-UHFFFAOYSA-N 287.344 3.809 30 20 CHED Cc1ccc(C)c(NN=Cc2c(Cl)nc(Cl)n2C)c1 814753771 ZJGAFOXXBPJBOO-UHFFFAOYSA-N 297.189 3.790 30 20 CHED CC(C)[C@H]1CC(=NN=c2cc[nH]c3ccccc23)CS1 814841327 MANFZQNRODLYBI-MRXNPFEDSA-N 285.416 3.586 30 20 CHED CC1(C)CC(=NNc2nc(-c3ccc(Cl)cc3)no2)C1 814848792 SQEZIVCEJKHHHL-UHFFFAOYSA-N 290.754 3.978 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC(C)(C)C2CC2)c1 815378224 VYMAJPOQSDFLET-UHFFFAOYSA-N 269.388 3.847 30 20 CHED C=CCN(CCC#N)C(=O)/C(C)=C/c1ccc(Cl)cc1 816803383 YSJSQDQNFUBHJC-OUKQBFOZSA-N 288.778 3.672 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C3CCCC3)C2)cc1 817414054 BTLWEDBDVQWGAP-CRAIPNDOSA-N 298.430 3.990 30 20 CHED CCCCCC[C@H](C)C(=O)N(C)CC(C)(C)C#N 817617977 NCUHYZZCRJVRFI-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED C#CCN(CC)C(=O)C(C)(C)c1cccc2ccccc12 822739417 XQUAVLPKUYEXLZ-UHFFFAOYSA-N 279.383 3.599 30 20 CHED Brc1ccc(C=NOCc2ccccc2)cc1 823366317 DQSOYCYCOADSFG-UHFFFAOYSA-N 290.160 4.000 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H]1c1ccc(F)cc1 825079008 MNMAIMNLHQTFLW-IUODEOHRSA-N 261.340 3.701 30 20 CHED C#Cc1cccc(CNCc2cnc(C(C)(C)C)s2)c1 825226861 NPMHQVYKCRTSRS-UHFFFAOYSA-N 284.428 3.712 30 20 CHED CC1=CC(=NNc2cc(C(F)(F)F)ccn2)CCC1 834984035 LGCOERFWFRWUJU-UHFFFAOYSA-N 269.270 3.999 30 20 CHED C=CCCC(CC)=NNc1ccc(F)c(C(=O)OC)c1 835012597 WGCTVQVMVKTADS-UHFFFAOYSA-N 278.327 3.756 30 20 CHED N#C[C@@]1(C(=O)OCC2CCCCC2)CC12CCCC2 837904535 DEXUEOKXWJEYFE-MRXNPFEDSA-N 261.365 3.584 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2ccncc2)CCCC1 838279715 JVMSIZUSDBFHPB-CYBMUJFWSA-N 259.349 3.822 30 20 CHED Brc1cnc(NN=CCC2CCCCC2)nc1 848419993 MDAGOBYDBCFZCW-UHFFFAOYSA-N 297.200 3.607 30 20 CHED CCc1ccc(C)nc1NCc1ccc(O[C@@H](C)C#N)cc1 850357050 WYGHVPQLXIVPFZ-AWEZNQCLSA-N 295.386 3.855 30 20 CHED N#CC1(OC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CCC1 850882404 XXFHYMZIJCIKFQ-JKSUJKDBSA-N 283.371 3.635 30 20 CHED Cc1ccc(C)c(CC(=O)O[C@@H](C)CC(C)(C)C#N)c1 851209753 JOMDGXXXFCUSGD-AWEZNQCLSA-N 273.376 3.718 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cccc(OC2CC2)c1)OCC 851348169 OMIGTRFHIGJDPK-INIZCTEOSA-N 290.359 3.505 30 20 CHED C=C[C@@H](OC(=O)c1coc(CCC)n1)c1ccccc1 851451712 LBFXYQPRYNDGJI-CQSZACIVSA-N 271.316 3.711 30 20 CHED CSc1cc(C)c(C(=O)O[C@@H](C)CC(C)(C)C#N)o1 853135040 PDFQKRDAEZTCDT-JTQLQIEISA-N 281.377 3.795 30 20 CHED CCCCNc1nc2ccccc2n1CC1(CC#N)CC1 853637350 BBLNTLBYGDNTAB-UHFFFAOYSA-N 282.391 3.942 30 20 CHED C#C[C@](C)(CC)NC(=O)CCCCCc1cccs1 854698033 QLJNMOXGLAIVGZ-MRXNPFEDSA-N 277.433 3.769 30 20 CHED Clc1cnc(NN=C2CCC[C@H]2c2ccccc2)nc1 857223369 PFYSYSKWCXTSOI-ZDUSSCGKSA-N 286.766 3.866 30 20 CHED C#CCCOC(=O)N[C@@H](C)c1cc2ccccc2s1 858956767 ZKBYIESEXJYMHY-NSHDSACASA-N 273.357 3.712 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H]1C[C@@H](c2ccccc2)C1 860768574 SYZWBZKABAYQMR-GASCZTMLSA-N 271.360 3.806 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(C)c(Cl)c1 860830594 PMURRGVWUDZYHD-UHFFFAOYSA-N 265.740 3.884 30 20 CHED CCCCCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C 862359290 IAESDVFVISTRHQ-UHFFFAOYSA-N 278.396 3.534 30 20 CHED C#CCCCCC(=O)Nc1n[nH]c(C)c1-c1ccc(C)cc1 863936049 BASSBVAOVWVGDU-UHFFFAOYSA-N 295.386 3.826 30 20 CHED Clc1cc(NN=C2CC[C@@H]3C[C@H]23)cc(Cl)n1 872382001 GGBJTBLHPJQTAI-SVRRBLITSA-N 256.136 3.586 30 20 CHED C=C/C=C/CCSc1nnc(C2CC2)n1CC=C 882047416 QYNKPIOMBMEQNN-AATRIKPKSA-N 261.394 3.566 30 20 CHED CCCCCCCC(=O)Nc1nc2c(s1)CCC2 887428985 YMZIQJJTPKHOGX-UHFFFAOYSA-N 266.410 3.931 30 20 CHED CCCC[C@@H](C(=O)N1CCCc2nc(C#N)ccc21)C(C)C 892393701 PWHCRLZOJYFMDH-OAHLLOKOSA-N 299.418 3.695 30 20 CHED COc1ccc(CN2CCC[C@@H](C#N)C2)c2ccccc12 896505080 LHADYQNZACIXFA-AWEZNQCLSA-N 280.371 3.584 30 20 CHED CC#CCCCc1nc(Cc2nsc3ccccc23)no1 896758716 RUVHNJSSQTYARZ-UHFFFAOYSA-N 297.383 3.616 30 20 CHED C=C1CC(c2noc(COC[C@H](C)c3ccccc3)n2)C1 896874922 WWXSAMQMACLGSV-ZDUSSCGKSA-N 284.359 3.824 30 20 CHED C=C1CC(c2noc(-c3cc4ccc(OC)cc4[nH]3)n2)C1 896884232 LDFIWZCNRPKDNR-UHFFFAOYSA-N 281.315 3.660 30 20 CHED CC(C)[C@H](CSc1ccccc1)NCC1(C#N)CC1 903105632 GKJWYWMMVBBGLF-HNNXBMFYSA-N 274.433 3.697 30 20 CHED C=C[C@@](C)(CC)C(=O)N(c1nc2ccccc2o1)C1CC1 905883748 YZLWOCDWAOOJFA-KRWDZBQOSA-N 284.359 3.926 30 20 CHED COc1ccc(O)c(C=Nc2ccc(OC(C)C)cc2)c1 915982773 BUFPZPLGOPGZPC-UHFFFAOYSA-N 285.343 3.939 30 20 CHED Cc1ccc([C@H](C)/N=C/c2cccc(O)c2O)cc1 917559114 GPEPJEBJAKVZCI-VAKHEIKFSA-N 255.317 3.586 30 20 CHED O=C(/C=C\c1cccnc1)c1nc2ccccc2s1 917614028 OVHUKXXNMCTHPU-FPLPWBNLSA-N 266.325 3.587 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ccnc(C)n1 918171297 YZKDNCQTZYAQRT-CYBMUJFWSA-N 277.412 3.511 30 20 CHED CCN(CCC#N)C(=S)Nc1cccc(C(C)C)c1 920992833 IWNKGOFWXVRWBM-UHFFFAOYSA-N 275.421 3.742 30 20 CHED Cc1nnc(-c2cccc(N[C@H](C)CC(C)(C)C#N)c2)o1 926092970 JTEZLVJDDYZLHB-LLVKDONJSA-N 284.363 3.785 30 20 CHED Cc1oc2ccccc2c1[C@@H](C)NCC(C)(C)C#N 926874066 MYUWQXASICXXGE-LLVKDONJSA-N 256.349 3.942 30 20 CHED C[C@H]1CN(CCCCC2(C#N)CCC2)C[C@H](C)S1 929726109 POAUKVUZUFOMBP-KBPBESRZSA-N 266.454 3.676 30 20 CHED Cc1cccc2oc(C(=O)N[C@@](C)(C#N)CC(C)C)cc12 931304963 ZEDDGAJHSZCOPA-QGZVFWFLSA-N 284.359 3.799 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C[C@H](C)O2 933145413 HFSZXIGKIATLQV-SWLSCSKDSA-N 286.375 3.582 30 20 CHED C#CCSCC(=O)O[C@H](C)c1sc(C(C)C)nc1C 1122657690 JWQSLNASHZGQGX-LLVKDONJSA-N 297.445 3.546 30 20 CHED N#Cc1cc(C(=O)NCc2cccc3ccccc23)cs1 1125933278 ZOYXAYOGLATQNG-UHFFFAOYSA-N 292.363 3.703 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C#N)nc1 1131137182 AXGSASNCYFZLTG-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CC(C)[C@H](NCCC1(C#N)CCCCC1)[C@H](CO)C(C)C 1170443249 NSZSTEDLBXFEQT-SJORKVTESA-N 294.483 3.729 30 20 CHED N#Cc1ccc(F)c(CNC[C@H]2CCc3ccccc32)c1 1183824035 XDWOOTAMLPXHGM-OAHLLOKOSA-N 280.346 3.517 30 20 CHED CC[C@H](CNc1cc(C)c(C#N)cn1)Oc1ccccc1F 1185621252 RIMVQEJLTDGLAT-CQSZACIVSA-N 299.349 3.670 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2cc(C#N)c(F)cc2F)C1 1219883390 FWIJKQNSIFCVLP-ONGXEEELSA-N 293.317 3.537 30 20 CHED CC(C)(Oc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 1252173178 RWWIIZJIHYBSTL-UHFFFAOYSA-N 294.354 3.549 30 20 CHED CC(C)(C)c1ccc(NN=C[C@H]2CCc3ccccc32)nn1 1253646187 ASELPASSTLZCPB-CQSZACIVSA-N 294.402 3.902 30 20 CHED COc1cc(C=NOC(C)(C)C)c(SC)cc1OC 1253788599 GILVGXWNHIOUBJ-UHFFFAOYSA-N 283.393 3.575 30 20 CHED CCN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)[C@H](C)C#N 1261755475 GGIPJLVTVUYMCS-FWLQQBITSA-N 284.403 3.758 30 20 CHED COc1cc(CN[C@H](CCC#N)c2ccccc2)ccc1F 1319839552 MAFGNRWWPFONBF-QGZVFWFLSA-N 298.361 3.969 30 20 CHED N#Cc1cccc(-c2nnc(C3CCCCC3)o2)c1 1322526874 PLWMGHILRBHZMB-UHFFFAOYSA-N 253.305 3.656 30 20 CHED CC(C)(C)ON=C1CCC2(CC1)C(=O)Nc1ccccc12 1323132466 OYHMIVJIHGKDBD-UHFFFAOYSA-N 286.375 3.622 30 20 CHED C=C[C@@H](COC)NC(=O)CC1CCC(C(C)(C)C)CC1 1325635067 PTMKIGUQNJBTNI-NRXISQOPSA-N 281.440 3.546 30 20 CHED C[C@H](C#N)CN(C)c1cc2ccc(F)cc2c(Cl)n1 1331094651 OWBSROWBDPNIJK-SECBINFHSA-N 277.730 3.623 30 20 CHED C[C@H](CC(=O)N(c1ccccc1C#N)C1CCC1)C1CC1 1334263493 YROXOYSEZSJTPL-CYBMUJFWSA-N 282.387 3.880 30 20 CHED C#C[C@H](C)OC(=O)CC1c2ccccc2Oc2ccccc21 1342622910 VIKBPMUQJHONEN-ZDUSSCGKSA-N 292.334 3.879 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(Oc2ccccc2)CC1 1346634756 ZHCNXQLLHHQSDG-UHFFFAOYSA-N 287.403 3.659 30 20 CHED C=C[C@H](C(=O)N1CC(Cc2ccsc2)C1)c1ccccc1 1347123342 QIZWUHQYOOODLU-KRWDZBQOSA-N 297.423 3.719 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCCCCCC(C)=O 1347523115 UPWPDGIQQDIWAS-MRXNPFEDSA-N 279.424 3.873 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc(CC(F)(F)F)o1 1348921009 XSKXUPZIBKGTSA-LLVKDONJSA-N 282.265 3.882 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C23CCC(CC2)CC3)C1 1349718790 UOHHOFUUJDPFRO-MYMJJRTCSA-N 261.365 3.582 30 20 CHED CC(C)[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 1350123911 DUGCVRQBKKXKEE-ZDUSSCGKSA-N 289.354 3.597 30 20 CHED Cc1cc(F)cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 1355850012 WJPYQGDUPMVGJX-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED Cc1cc(C)c2c(c1)CCN(Cc1ccc(C#N)cc1F)C2 1462683751 LQJZNBNWNREVMM-UHFFFAOYSA-N 294.373 3.873 30 20 CHED CC1CCC(C)(NC(=O)Nc2ccc(F)cc2C#N)CC1 1476231971 IZPKSIVQMQBQIT-UHFFFAOYSA-N 289.354 3.788 30 20 CHED CCO[C@H](CC)C(=O)O[C@@H](c1cccs1)[C@H](C#N)CC 1519365387 LEZXJZCKBFRJQL-OUCADQQQSA-N 295.404 3.697 30 20 CHED C=C(CC)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 1521550390 SISCFCBUUSPJGW-DZGCQCFKSA-N 261.340 3.544 30 20 CHED N#CCC1(OC(=O)c2cc(F)cc3ccoc23)CCC1 1525499874 TYHVWPHLSKGBGX-UHFFFAOYSA-N 273.263 3.565 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cncc(C(F)(F)F)c1 1526939201 XOTLZNQNFFHJNW-UHFFFAOYSA-N 287.285 3.530 30 20 CHED C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)c1ccsc1 1539903209 IXTOKVBVFPHGPV-SWLSCSKDSA-N 284.384 3.623 30 20 CHED CCO[C@H]1C[C@H](Nc2cc(C)c(C#N)cn2)C12CCCCC2 1559104935 CEVUIOUJUXRPLW-HOTGVXAUSA-N 299.418 3.802 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)NCC1(C#N)CCC1 1564947479 PRECJXFXDPGRJW-HNNXBMFYSA-N 291.439 3.681 30 20 CHED C=CCN(Cc1ccc(C(=O)O)s1)c1ccccc1 1588463930 BNGPFOJOKDSZPB-UHFFFAOYSA-N 273.357 3.639 30 20 CHED N#CC1(CSCc2ccccc2C(=O)O)CCCC1 1601057913 JPRFTIOFIOEXDX-UHFFFAOYSA-N 275.373 3.702 30 20 CHED Cc1ccc(C(=O)Nc2nsc3ccccc23)cc1C#N 1611462025 IGZHFZOFJZBNHM-UHFFFAOYSA-N 293.351 3.729 30 20 CHED Cc1ccnc(N[C@H](Cc2ccccc2)C(C)C)c1C#N 1612899456 PFMNBAXNGNSIJD-QGZVFWFLSA-N 279.387 3.941 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCc3ccc(C)cc32)c1 1625602049 WQNJHLCDVFVRSC-UHFFFAOYSA-N 291.354 3.770 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](N=c1cc[nH]c(C#N)c1)CCC2 1642530972 MIBBKUGHSYHEME-IBGZPJMESA-N 291.398 3.988 30 20 CHED N#Cc1c(F)cc(C(=O)Nc2c[nH]c3ccccc23)cc1F 1647803493 MFLJDOMUQRIOJD-UHFFFAOYSA-N 297.264 3.570 30 20 CHED CN(CCC1CCCCC1)c1c(C#N)cccc1C#N 1651462862 SVRMIJQSSKQNEX-UHFFFAOYSA-N 267.376 3.837 30 20 CHED CCN(Cc1ccccc1C)c1cc(C)c(C#N)cn1 1651627329 BQIDNYBGJFZWAC-UHFFFAOYSA-N 265.360 3.597 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNc1nc(C)cc(C#N)n1 1651945566 GDSUCPFUQYHTDH-UONOGXRCSA-N 272.396 3.675 30 20 CHED COCC1(CNc2nc(C)c(C#N)cc2Cl)CCCC1 1651948728 NLNHERIVWZUEAG-UHFFFAOYSA-N 293.798 3.534 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2Cc1ccc(C#N)cc1F 1657851244 JDFIHTGQBXGHBV-CYBMUJFWSA-N 296.345 3.793 30 20 CHED N#Cc1csc(CNC2(C3CCCCC3)CC2)c1 1658126127 MOKNFSFICCUWSC-UHFFFAOYSA-N 260.406 3.822 30 20 CHED CCC[C@H](NC(=O)Nc1cc(C#N)ccc1C)C1CCC1 1659653753 NEXWGTNPQYFCEY-HNNXBMFYSA-N 285.391 3.957 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2ccc(F)cc2C#N)c1 1669072726 JFWZJYLUURFQCF-UHFFFAOYSA-N 297.333 3.636 30 20 CHED O=C(/C=C/c1cc(F)c(C(=O)O)cc1F)c1ccccc1 1776114304 LKPFXBCIKSAULR-VOTSOKGWSA-N 288.249 3.559 30 20 CHED N#Cc1c(F)cccc1Oc1ccc2ccc(=O)oc2c1 7779813 WXZVHPUGFLDBCF-UHFFFAOYSA-N 281.242 3.596 30 20 CHED N#Cc1cccc(NC(=O)Nc2cccc3[nH]ccc23)c1 170889052 ZMIORMFTAATXPN-UHFFFAOYSA-N 276.299 3.684 30 20 CHED CCC1(CC)CN(Cc2cc(C#N)ccc2F)CCS1 464577366 SZLYKHMKJKDKNP-UHFFFAOYSA-N 292.423 3.805 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 55600760 ANPSQVXHNMRJRE-GOSISDBHSA-N 296.414 3.938 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1ccccc1F 172406525 WHNOVGMTRYKAFV-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OC)c(F)c1)C2 176938264 MZYYVOAXGIMZAB-QPEQYQDCSA-N 298.313 3.665 30 20 CHED O=C1/C(=C/c2cc(F)c(F)c(F)c2)Cc2ccccc21 102713742 AJNYGLLMOZTYRN-VZUCSPMQSA-N 274.241 3.926 30 20 CHED N#Cc1ccc(OCCSC2=Nc3ccccc3C2)cc1 118606395 CMCCEPOOACDNHK-UHFFFAOYSA-N 294.379 3.957 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1c(C)cccc1C 177869208 NHYNCZIPUVOZCF-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED CCOc1cccc(/C=C/C(=O)c2cnn(C(C)C)c2)c1 60212560 NXZPWEVYVVIIIP-CMDGGOBGSA-N 284.359 3.759 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 116971814 TUWCMEUKEWKKGE-XJKSGUPXSA-N 290.407 3.656 30 20 CHED CC1(C)CCC[C@@H](C(=O)[C@H](C#N)C(=O)Nc2ccccc2)C1 179382480 SHNHUHYEQWHKKG-HIFRSBDPSA-N 298.386 3.550 30 20 CHED N#C[C@H](OC(=O)CCc1ccc2ccccc2c1)C1CC1 177022993 JZQPOJWXBLCQES-KRWDZBQOSA-N 279.339 3.618 30 20 CHED CCS[C@H]1CC[C@H](N(C)c2ccc(Cl)c(C#N)n2)C1 301608249 ZVRLIPZBNVANSI-QWRGUYRKSA-N 295.839 3.717 30 20 CHED CC(C)(C#N)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 110814355 FRYZRXXYLXCNFY-ZJUUUORDSA-N 297.185 3.515 30 20 CHED N#CCCN(Cc1ccccc1C(F)(F)F)CC1CC1 352024780 IUXRSBHPUIFJCO-UHFFFAOYSA-N 282.309 3.831 30 20 CHED N#Cc1cccc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)n1 509468853 GCHLABVWKKRRMC-VBUUOAMHSA-N 289.382 3.868 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C1CC1)[C@H](C)C1CC1 178543917 XCVVXCFENZVSNY-GFCCVEGCSA-N 283.375 3.662 30 20 CHED CCCCCCCC(=O)N1CCOC[C@H]1c1ccc(C)o1 116701573 LWFXUHCWFIQAAF-HNNXBMFYSA-N 293.407 3.848 30 20 CHED Cc1ccc(N/C(N)=N/CCC2CCCCC2)cc1 303873091 CEWHLEKUIAIPEY-UHFFFAOYSA-N 259.397 3.692 30 20 CHED C#CCCCCC(=O)N[C@@H](CC)c1cc(F)ccc1F 119891283 WUIMIPGHHGLIIG-HNNXBMFYSA-N 279.330 3.726 30 20 CHED Cc1c(C(=O)O[C@@H](C)CC#N)sc2cccc(F)c12 113686534 FLVSSDBDLZMINI-QMMMGPOBSA-N 277.320 3.808 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H](C)C1 505151098 NLLVEZCFYINVPB-RDJZCZTQSA-N 286.419 3.963 30 20 CHED N#Cc1cccnc1N1CC=C(c2ccccc2Cl)CC1 301913292 DULWHQZRACOAOT-UHFFFAOYSA-N 295.773 3.900 30 20 CHED N#CCCCN(C1CC1)[C@H]1CCCc2ccccc21 67712271 VQACKMSTPGNLHT-KRWDZBQOSA-N 254.377 3.832 30 20 CHED N#CCc1cccc(C(=O)N(CC2CC2)C2CCCCC2)c1 68013502 NNZTVVPBOWUIKI-UHFFFAOYSA-N 296.414 3.938 30 20 CHED COCCC1(CNc2c(Cl)cccc2C#N)CCC1 301681891 VLNBSUXLVAMEDE-UHFFFAOYSA-N 278.783 3.830 30 20 CHED C=CCN1CCC(/N=C/c2c(O)ccc3ccccc23)CC1 171647745 WRWLAUPOMAJIFS-XSFVSMFZSA-N 294.398 3.615 30 20 CHED Cn1ccc2ccc(Nc3ccc(C#N)cc3[N+](=O)[O-])cc21 302647113 JGRVKZQELHBBQH-UHFFFAOYSA-N 292.298 3.702 30 20 CHED N#CCOc1cccc(NC(=O)CCC2CCCCC2)c1 36987814 OVLMUOJGKNBLLC-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C=CC[C@H](C(=O)N[C@@H](CCCC)COC)c1ccccc1 188128578 HOLVFSMHSARMEJ-IRXDYDNUSA-N 289.419 3.668 30 20 CHED CC(C)[C@@H]1OCCC[C@H]1CNc1c(F)cc(C#N)cc1F 301587348 PLHRIDGHEBHGEP-LRDDRELGSA-N 294.345 3.700 30 20 CHED N#Cc1ccc(N[C@H]2CCN(c3cccc(Cl)c3)C2)cc1 301536468 LYKZADWNYSKEKA-INIZCTEOSA-N 297.789 3.902 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc(Cl)s1 210346036 PSDPUVODQNYJTQ-ARJAWSKDSA-N 266.753 3.514 30 20 CHED CCN(CCCN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 185761235 ISRWPBIBVABGHP-IRXDYDNUSA-N 285.435 3.575 30 20 CHED CCn1cc(/C=C2/CCOc3c(C)cc(C)cc3C2=O)cn1 122572983 AFZYGHBVTHJRMU-DHDCSXOGSA-N 296.370 3.569 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)ccc1Br 129859916 YPEMTCALXIPMBT-SNVBAGLBSA-N 297.196 3.844 30 20 CHED C[C@@H]1CCCCCN1C(=O)c1cccc(SCC#N)c1 79500861 LEOMQNUXASIELK-CYBMUJFWSA-N 288.416 3.707 30 20 CHED C#CCCCCC(=O)NC1(c2nc(C)cs2)CCCC1 120142659 VJGBSDPYUSRUTD-UHFFFAOYSA-N 290.432 3.531 30 20 CHED C[C@@H](C#N)CN[C@H](C)CCc1cccc(C(F)(F)F)c1 185573805 STGCXALGOUCPQZ-NWDGAFQWSA-N 284.325 3.776 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1ccc(C#N)cc1 35018942 AZYJVYXCKFAXFP-AWEZNQCLSA-N 280.371 3.726 30 20 CHED CC(C)OCCSCc1ccc(C#N)cc1Cl 438880660 VXIJYKAVXFIXHX-UHFFFAOYSA-N 269.797 3.870 30 20 CHED CC[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccncc1 127372360 NGJKYDWOYJUTGZ-JLAWEPINSA-N 291.398 3.746 30 20 CHED N#Cc1ccc(NC(=O)/C=C\c2ccccc2)cc1Cl 33920851 OZVHTTUFINQLPB-TWGQIWQCSA-N 282.730 3.864 30 20 CHED C=CCN(C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 121605554 CLJDVNNOVFRDIC-OAHLLOKOSA-N 294.398 3.798 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)NC1(C#N)CCCCC1 180148502 DAXRUXVQYWYYCI-MRXNPFEDSA-N 298.430 3.988 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl 186031241 QRWAHBQKSOWVRT-NOLJZWGESA-N 290.794 3.703 30 20 CHED CC(C)(C#N)OC(=O)c1cc2c(s1)-c1ccccc1CC2 181841408 SBANACBHKWABBI-UHFFFAOYSA-N 297.379 3.973 30 20 CHED CC(C)CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 500334962 TZSGLEUUHWSLCF-UHFFFAOYSA-N 272.392 3.589 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)C1CCCCC1 73500183 HDHKSXGFICGTRT-UHFFFAOYSA-N 284.403 3.672 30 20 CHED C[C@H]1CC(C(=O)Nc2ccc(F)cc2C#N)C[C@H](C)C1 180975031 KYMKQMMHFOIQJQ-GHMZBOCLSA-N 274.339 3.708 30 20 CHED CCS[C@H]1CC[C@H](N(C)C(=O)C2(C#N)CCCCC2)C1 174434047 BWSCTPUGMTULBY-KBPBESRZSA-N 294.464 3.593 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(F)cc1OCC#N 120101279 AYDQRAQPHUSMTH-LBPRGKRZSA-N 292.354 3.883 30 20 CHED COc1ccc([C@@H]2CCN(Cc3ccc(C#N)s3)C2)cc1 127291190 LMTQXCOSBQNIHK-CQSZACIVSA-N 298.411 3.618 30 20 CHED C=CCOCCSCc1ccc(SC)c(OC)c1 419411076 PFKUGIMIOJERKV-UHFFFAOYSA-N 284.446 3.853 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(F)cc1 77380257 SVTKZRZFVUZILG-UHFFFAOYSA-N 285.322 3.506 30 20 CHED CC[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCCO1 313423635 GTYBMJTVMOEESA-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED Cc1csc(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c1C#N 410856430 FXGLVEGNWXIUJT-JBLDHEPKSA-N 276.405 3.939 30 20 CHED C[C@@H](CC#N)N(C)Cc1ncc(-c2ccc(Cl)cc2)o1 129634052 HWWWITQJHWIPAS-NSHDSACASA-N 289.766 3.729 30 20 CHED C=CCCCC(=O)Nc1ccnc(OCc2ccccc2)c1 501757525 VYLHRRAHFGQDMO-UHFFFAOYSA-N 296.370 3.955 30 20 CHED C=CCOCCCC(=O)Nc1cccc(Cl)c1Cl 73849817 NKEULAWBAYKWRU-UHFFFAOYSA-N 288.174 3.915 30 20 CHED C=C(C)CCSc1nc2sc(C)c(C)c2c(=O)n1C 505461115 IGNQZPIZCPGPSE-UHFFFAOYSA-N 294.445 3.670 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCSc2c(F)cccc21 414175779 ZRHRCLBLDXMBOV-CYBMUJFWSA-N 278.396 3.892 30 20 CHED C[C@H]1/C(=C\c2cccc(O)c2)C(=O)c2c(O)ccc(F)c21 136564178 WIHGUQPYBAUFPV-KWINOFQJSA-N 284.286 3.620 30 20 CHED Cc1ccccc1C1(C(=O)Nc2ccc(F)c(C#N)c2)CC1 76824050 QZDIOZLOFURRIS-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cccc(OC(F)F)c1 414163168 IGUHDNZYVKAXKT-LLVKDONJSA-N 282.334 3.878 30 20 CHED CCC(CC)(CC)SCC(=O)N[C@](C)(C#N)C(C)C 191934586 KAXNMKYVFBYYRY-CQSZACIVSA-N 284.469 3.743 30 20 CHED CC1=C(C(O)=Nc2nnc(C3CCOCC3)s2)CCC1 329459332 OVIUCPHEJPKDAM-UHFFFAOYSA-N 293.392 3.521 30 20 CHED C[C@H]1CCC[C@H]1Nc1ccc(C#N)c(Br)c1 228187128 HJPQFCGPVZZZIU-TVQRCGJNSA-N 279.181 3.921 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cn(CC)c2ccccc12 428048735 KSBHMOXDOCGKQQ-AWEZNQCLSA-N 282.387 3.842 30 20 CHED N#CCCN(C(=O)C1CC=CC1)C12CC3CC(CC(C3)C1)C2 133690149 GTENMEHDNXARKC-UHFFFAOYSA-N 298.430 3.664 30 20 CHED CC1(C)CCCc2cc(C#N)c(NCc3cccnc3)nc21 428114450 IGYVUUKGEBWLAI-UHFFFAOYSA-N 292.386 3.574 30 20 CHED C=CC[C@H](CO)Nc1cc(C)nc2c(C)cc(Cl)cc12 512437313 RSFFAIAZFCEHHA-CYBMUJFWSA-N 290.794 3.854 30 20 CHED C[C@@H](Oc1cccc(F)c1F)c1ccc(C#N)cc1 194629074 XBVKDJXIAAWXDT-SNVBAGLBSA-N 259.255 3.976 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2sccc2[nH]1 192202310 HTZWMCMRRGQMIL-SNVBAGLBSA-N 262.378 3.704 30 20 CHED CCCCCC[C@H](C)NC(=O)CCc1ccc(C#N)cc1 43506866 DZPXHKFJEYEHJA-HNNXBMFYSA-N 286.419 3.966 30 20 CHED C=CCN(CCOC)Cc1cc(Cl)cc2cccnc12 191760412 GNESBVURRCVGGE-UHFFFAOYSA-N 290.794 3.523 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)o2)cc1C 429891257 LJCWNTUIJIQYIJ-MRXNPFEDSA-N 294.354 3.745 30 20 CHED Cc1nccc(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 328781470 FSJJVFZMARLIAW-MELADBBJSA-N 273.380 3.980 30 20 CHED C[C@@H]1CCC[C@](C#N)(/N=C(/O)[C@@H]2CC23CCCC3)C1 328845200 XEIAHCORABPUAC-WWGRRREGSA-N 260.381 3.996 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1ccncc1 192762612 OEDKWOIRKNHWTM-BQYQJAHWSA-N 267.328 3.765 30 20 CHED CCN(Cc1cc(C#N)ccc1Br)C(C)C 191777267 WCBJNICLVAANJR-UHFFFAOYSA-N 281.197 3.551 30 20 CHED C[C@@H](c1ccccc1Br)N(C)CCCC#N 194975318 QASCSZVJDSEWCE-NSHDSACASA-N 281.197 3.746 30 20 CHED C[C@H](NC(=O)c1cc2sccc2[nH]1)c1ccc(C#N)cc1 429718579 NLJCUJSRLVIKAU-JTQLQIEISA-N 295.367 3.592 30 20 CHED COCCOc1ccccc1/C=C1\Cc2ccccc2C1=O 83522548 SPIITDPHMKEUQP-DTQAZKPQSA-N 294.350 3.534 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1nc(Cl)c(C#N)s1 233876283 UIHBCOXUKCRDBK-HTQZYQBOSA-N 257.790 3.905 30 20 CHED C=CCN(C(=O)Cc1ccccc1C)c1ccccc1 514994769 JPYKIWIBAVEYAM-UHFFFAOYSA-N 265.356 3.757 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(C#N)s1 420895306 YXKRAEONIHEGDH-LBPRGKRZSA-N 299.399 3.522 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)c2csc(C(C)(C)C)n2)o1 330708846 NWULCKMIRGPNRP-VIFPVBQESA-N 293.392 3.803 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1 334224680 AOLVOPOGYVLMGA-GOSISDBHSA-N 290.366 3.578 30 20 CHED C=CCn1c(C)cc(C(=O)CN(C)[C@H](C)C2(C)CC2)c1C 437516629 OYAWEKPRPMLSNX-OAHLLOKOSA-N 288.435 3.594 30 20 CHED CCC(C)(C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 335914303 LJKUCRMONDRCAM-UHFFFAOYSA-N 282.387 3.610 30 20 CHED C=CCOc1cccc(NC(=O)[C@H](OC)c2ccccc2)c1 97680338 WDAFYSAZNZUTRP-QGZVFWFLSA-N 297.354 3.578 30 20 CHED CC[C@H]1OCCC[C@@H]1C(O)=Nc1cnc2c(c1)CCCC2 330303854 KBFFDWWZJGULJA-GOEBONIOSA-N 288.391 3.754 30 20 CHED Cn1cncc1COc1ccc(-c2ccc(C#N)cc2)cc1 439554141 XQDZRPZMSIFUNS-UHFFFAOYSA-N 289.338 3.538 30 20 CHED Cc1c(C(=O)Nc2ccccc2C#N)ccn1C(C)C 335586230 CBTVCLBQNGYAIN-UHFFFAOYSA-N 267.332 3.501 30 20 CHED CCN(Cc1ccc(OC)c2ccccc12)C[C@@H](C)C#N 91984166 HUWPPRGXWFLZCG-AWEZNQCLSA-N 282.387 3.830 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC2CC2)c(Cl)c1C 341051426 QDUVXEBXZNAHBV-UHFFFAOYSA-N 290.794 3.723 30 20 CHED Cc1ccc(C#N)c(Nc2ccc3[nH]c(C)cc3c2)n1 341742374 JNOBCLFGYDTCLZ-UHFFFAOYSA-N 262.316 3.795 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(Cl)cc2cccnc12 522659999 WIWKPXXWQVWZTQ-JTQLQIEISA-N 289.766 3.974 30 20 CHED CCC1CCC(CNC(=O)c2cc(C#N)cs2)CC1 437678941 WZJGOGKHNCFCNJ-UHFFFAOYSA-N 276.405 3.566 30 20 CHED Cc1cccc(-c2ccc(CN=c3ccc(C#N)c[nH]3)cc2)c1 524231418 DFUMJCKIWZJNLT-UHFFFAOYSA-N 299.377 3.963 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCC(CC)(CC)CC1 348008075 LUBYHWMBAFGGDL-HNNXBMFYSA-N 281.440 3.787 30 20 CHED Cc1c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)ccn1C(C)C 340427951 GTPYIGBNCHUJIL-DYVFJYSZSA-N 287.407 3.580 30 20 CHED C=CC[C@H]1N(C(=O)c2ccn(C(C)C)n2)CCCC1(C)C 347481606 JSMQTENPQMSCRZ-OAHLLOKOSA-N 289.423 3.671 30 20 CHED CC(=O)c1cc(NCCCC(C)(C)C#N)ccc1F 349731879 LNPZDSOQKVHYPZ-UHFFFAOYSA-N 262.328 3.770 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCC[C@H]1CCCF 348208985 VTAWFZIFGGGNJZ-UONOGXRCSA-N 254.393 3.824 30 20 CHED Cc1cc(C#N)ccc1Oc1ccc(F)cc1[N+](=O)[O-] 52065080 AKHVEQQIELUVJY-UHFFFAOYSA-N 272.235 3.706 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)ccc2O)n1 436684579 CKZGPQQTLPJHGG-UHFFFAOYSA-N 264.712 3.604 30 20 CHED CCCCC[C@H]1CCCN1C(=O)c1cc(C#N)oc1C 436166565 CWSSQXJWDPEFHH-ZDUSSCGKSA-N 274.364 3.645 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](c2ccccc2C)C1 528340065 PTALCCXJUSNOBX-OAHLLOKOSA-N 284.403 3.641 30 20 CHED C=CCCCN(C)C(=O)Nc1ccc(COCC)cc1 438857427 MIFQBXQCFRHGNA-UHFFFAOYSA-N 276.380 3.653 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1nc2ccsc2s1 439515226 PHOHURYOOGSMMZ-MRVPVSSYSA-N 281.406 3.834 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3ccc(C)s3)n2c1 255729390 CJVUFUOJHIKHNK-WAYWQWQTSA-N 282.368 3.909 30 20 CHED N#Cc1cccc(N[C@H]2CCC[C@H]2c2ccccc2)n1 522904169 DKAUIVNUHLNETL-HOTGVXAUSA-N 263.344 3.701 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(CC#N)cc1 542278648 DKVBRNFYTROENT-FHLIZLRMSA-N 268.404 3.906 30 20 CHED C=CC1CCN([C@@H](C)c2c(F)cccc2F)CC1 522083166 CSOKIIJWOVXKRK-NSHDSACASA-N 251.320 3.924 30 20 CHED COc1cc(/C=C\C(=O)C2CCCCC2)cc(OC)c1O 255723318 HUYHKQZAMVPPPM-HJWRWDBZSA-N 290.359 3.572 30 20 CHED Cc1ncc(Br)cc1NC[C@@H](C)CCC#N 602684538 GVUAOEAGHGQZSA-VIFPVBQESA-N 282.185 3.504 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 345801198 UHVSOVFUZMDYEE-GMTAPVOTSA-N 296.823 3.513 30 20 CHED C=CCCN(C)[C@H](C)C(=O)Nc1c(CC)cccc1CC 342722589 OAXDOXFNLJQZBJ-CQSZACIVSA-N 288.435 3.646 30 20 CHED C[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 522904679 UQIHVBVXQPZVHS-ZTFGCOKTSA-N 296.414 3.528 30 20 CHED C[C@@H](CCC#N)CNCC(F)(F)c1ccc(Cl)cc1 602657006 WDXGXMOOVOZHOB-NSHDSACASA-N 286.753 3.961 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 448766288 YYKHFRDPGQYPCW-OFQRWUPVSA-N 287.378 3.777 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1 449150538 ZUIDFZLFKNBIHM-CABCVRRESA-N 274.408 3.738 30 20 CHED CN1CCCN(CCC(C)(C)C#N)c2cc(Cl)ccc21 535665421 VKVLZCYKBWQHIG-UHFFFAOYSA-N 291.826 3.926 30 20 CHED C=CCCOCC(=O)N[C@@H](CC(C)C)c1ccccc1C 602025296 RBUXDEYTJHQMMV-KRWDZBQOSA-N 289.419 3.791 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1C 448822538 KZCMIFWINUZODU-KGLIPLIRSA-N 256.349 3.632 30 20 CHED COc1cccc(C2(CNC3CCC(C)(C#N)CC3)CC2)c1 449330397 UHDFTZGHVCHFKK-UHFFFAOYSA-N 298.430 3.789 30 20 CHED C=CCCN(C)C(=O)C1(C(F)(F)F)CCCCC1 613842584 PBHWKZRPXHMOAU-UHFFFAOYSA-N 263.303 3.534 30 20 CHED CCN(CC#N)Cc1ccc(Oc2cccc(F)c2)cc1 447735647 GEFPVXHPUYZPGV-UHFFFAOYSA-N 284.334 3.963 30 20 CHED CC[C@H](NC(=O)NCCCCC#N)c1ccc(Cl)s1 265193757 YTRVNXZFZLUNPI-JTQLQIEISA-N 299.827 3.846 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)Cc1coc2ccccc12 449302379 VIMXJZDUBJBGQO-DOXZYTNZSA-N 299.414 3.935 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cccc(C#N)c1 353549430 DNRYOPJHYKXDCJ-CZUORRHYSA-N 299.418 3.572 30 20 CHED C=CCC[C@@H](NCCOc1cccc(C)c1)C1CC1 539071193 GAZDWXPODRNFME-QGZVFWFLSA-N 259.393 3.708 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)CCC3)CCC1 358119099 IORTUYGNMNPPOI-UHFFFAOYSA-N 255.361 3.860 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccco1 610172669 UUGGKAWPWXJBCK-GFCCVEGCSA-N 298.342 3.681 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)CCCC1 619110448 KOHYDMBMNDBDBC-HUUCEWRRSA-N 279.424 3.587 30 20 CHED C=C1CCN(C(=O)C[C@@H](C)c2ccccc2C)CC1 265295806 STGQNZFZEKOCBL-OAHLLOKOSA-N 257.377 3.667 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 355139160 WACPIAOZSFKMMR-OFQRWUPVSA-N 272.392 3.625 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 448572629 MSMWSOLOZBVUOM-CWTRNNRKSA-N 288.350 3.746 30 20 CHED CCc1ccccc1CCN(CC#N)C1CCCC1 444645401 ZNZLSLUAWRWXBJ-UHFFFAOYSA-N 256.393 3.560 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1CCCSCC#N 266913176 DPRFMNYGFWPSPC-WBVHZDCISA-N 288.460 3.586 30 20 CHED CC[C@H](CC#N)NCc1cccc2c(OC)cccc12 449244106 PTPLICCIBCUZDW-CQSZACIVSA-N 268.360 3.630 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC 263984455 LQLKPDXUYJLGKK-MRXNPFEDSA-N 297.402 3.686 30 20 CHED C[C@@H]1CCC[C@H](c2noc(CNc3ccc(C#N)cc3)n2)C1 356225298 SBIDGEFRJPDYOC-OCCSQVGLSA-N 296.374 3.847 30 20 CHED C[C@@H](NC(=O)c1cccc2[nH]ccc12)c1cccc(C#N)c1 610473930 GQZWISPHQIEKIP-GFCCVEGCSA-N 289.338 3.531 30 20 CHED C[C@H](N[C@H]1C[C@H]1Cc1ccccc1)c1cccc(C#N)c1 537307717 QJBPGGHHZGFRBZ-KYNGSXCRSA-N 276.383 3.840 30 20 CHED C[C@H](NCC1(C2CC2)CCC1)c1ccc(C#N)c(F)c1 539606385 CVNFHKPNSKYHFF-LBPRGKRZSA-N 272.367 3.928 30 20 CHED C=C(C)COCCNCc1ccc(-c2ccccc2F)o1 532394887 FCWLUAOQQBYKNU-UHFFFAOYSA-N 289.350 3.768 30 20 CHED C=CCCc1noc(Cc2ccc(C(F)(F)F)cc2)n1 453244407 DHJGEDDYXJSROW-UHFFFAOYSA-N 282.265 3.798 30 20 CHED C=CCOc1ccc(CN(CC2CC2)C(C)C)cc1OC 536639904 JWNDUIJNHPYKSW-UHFFFAOYSA-N 289.419 3.880 30 20 CHED C=CCC[C@H](NC1CCC(C(=O)O)CC1)c1ccccc1 263376252 AOBLXUACIKFPOJ-JCYILVPMSA-N 287.403 3.927 30 20 CHED C=CC(C)(C)CNC(=O)CSc1ccc(Cl)cc1 452776366 KLFQLWZERGIGHC-UHFFFAOYSA-N 283.824 3.761 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 363036971 VILBOEHBRUFEPO-KRWDZBQOSA-N 290.366 3.689 30 20 CHED C=CC[C@@H](C(=O)NCCOC(C)(C)CC)c1ccccc1 457351747 CLHRTYPVXQENHR-MRXNPFEDSA-N 289.419 3.668 30 20 CHED C=CCCC1(C(=O)N2CCCN(C)c3ccccc32)CC1 361721698 UTCMOXWTEUKHGC-UHFFFAOYSA-N 284.403 3.606 30 20 CHED N#CC1(CSc2cc3c(cc2Cl)OCCO3)CCC1 450828662 MGVCHOPIXWNQPV-UHFFFAOYSA-N 295.791 3.897 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H]1C[C@@H]1c1ccccc1 618741611 HCLOKINRNBDTBL-RLLQIKCJSA-N 288.394 3.939 30 20 CHED Cc1ccc(-c2cnc(CN3CCC(CC#N)CC3)o2)cc1 542884377 WTDIVANDENXRGW-UHFFFAOYSA-N 295.386 3.776 30 20 CHED CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1 544398436 CLQCUBMOTFYSFZ-AWEZNQCLSA-N 290.794 3.862 30 20 CHED CO[C@@]1(C)C[C@H](Nc2nc(C)c(C#N)cc2Cl)C1(C)C 360074165 QGGBPRHCCGCSQL-WFASDCNBSA-N 293.798 3.531 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 610239124 BIJMCLUJASBSEF-QMTHXVAHSA-N 298.308 3.617 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cc(-c2ccccc2)no1 276190662 LQVQXEJQQMOUIE-KRWDZBQOSA-N 284.359 3.560 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2c(Cl)cccc21 453345784 GIFYMCJBSSTNTD-OAGGEKHMSA-N 277.795 3.651 30 20 CHED Cc1cc(F)cc(-c2noc(C3(C#N)CCCC3)n2)c1 273713510 MTKNZQGCSAUKNU-UHFFFAOYSA-N 271.295 3.520 30 20 CHED FC(F)(F)CCN(CC1CC(F)(F)C1)CC(F)(F)F 450884570 SGLHRDABTOFGIQ-UHFFFAOYSA-N 299.205 3.848 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CC23CCSCC3)n1 453192171 YLJOSMRBCDVDJR-LLVKDONJSA-N 278.421 3.924 30 20 CHED Cc1ccnc(N(C)C[C@H](C)c2ccccc2)c1C#N 542207693 UKHLMUSRDIDOHS-AWEZNQCLSA-N 265.360 3.502 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 362372462 ZXUHRLXYWQDXRV-JQWIXIFHSA-N 286.297 3.554 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc(C)n2)CCCC1(C)C 278528013 ZTKUGCJJDCDBMM-OAHLLOKOSA-N 272.392 3.597 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2cc(C)ccc2F)no1)OCC 277866660 BJZKJJOFQFMYIO-CQSZACIVSA-N 290.338 3.708 30 20 CHED C[C@@H](F)CCN1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F 451834543 CHWKWWVGHKVMHA-HRDYMLBCSA-N 295.242 3.940 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCO[C@H](C(C)C)C1 540136722 TUXJOCPZYAOUCC-XHSDSOJGSA-N 253.430 3.915 30 20 CHED C=CC(C)(C)CNC(=O)C[C@@H]1CCc2ccccc2C1 452778833 ZONNSXBDJFBPSM-CQSZACIVSA-N 271.404 3.510 30 20 CHED C=C(CC)CNC(=O)N(C)C1CCC(C)(C)CC1 459084462 UDBSCNLIURTAOC-UHFFFAOYSA-N 252.402 3.563 30 20 CHED CCCOc1ccc(NC(=O)NCC(C)(C)CC#N)cc1 459479063 JMUDEAJDPBEKNN-UHFFFAOYSA-N 289.379 3.537 30 20 CHED CC(C)(CC#N)CNCc1cc(Cl)ccc1F 459738232 XWBMMERTYSWGFK-UHFFFAOYSA-N 254.736 3.509 30 20 CHED Cc1nc(N2CC(C3CCCCC3)C2)c(Cl)cc1C#N 549662963 JBHMEGJBPZAPBG-UHFFFAOYSA-N 289.810 3.932 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc2occc2c1)OCC 628961025 VUWRUTXSLYOBJW-HNNXBMFYSA-N 273.332 3.743 30 20 CHED CC(C)N(CCC#N)C(=O)CC1CC(c2ccccc2)C1 547387261 RPZNMVGZZOOTCP-UHFFFAOYSA-N 284.403 3.721 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)s1 466777855 MRXLFQHWKFIDAY-AAEUAGOBSA-N 276.405 3.661 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(OC)cc2C)no1 624724366 ISKYHYQLZXMPAD-LBPRGKRZSA-N 288.347 3.707 30 20 CHED CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@@H](C)C#N 469382694 AEWZELRLXYJNCO-DOTOQJQBSA-N 286.419 3.796 30 20 CHED C=CCCN(C)C(=O)NCC(C)(C)c1ccccc1Cl 467005040 HZMQDYYYIBISOG-UHFFFAOYSA-N 294.826 3.835 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 541487490 QCXGTPAUJDHQCW-ZDUSSCGKSA-N 290.794 3.720 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H]1SCCc2sccc21 281050648 KEMSLHLETHGVRN-MFKMUULPSA-N 281.446 3.549 30 20 CHED CC[C@](C)(C#N)c1nc(-c2cccc(OC(C)C)c2)no1 288978780 RBGZUDCLDNGVLK-MRXNPFEDSA-N 285.347 3.715 30 20 CHED C=CCCCCNC(=O)Nc1cc(C)ccc1F 466966235 YPYIAKORZAGDCO-UHFFFAOYSA-N 250.317 3.612 30 20 CHED C=CCC[C@H](NC[C@@H]1CCSC1)c1ccco1 287303550 DQSLAHNTYGUAJE-STQMWFEESA-N 251.395 3.630 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccccc1C)C(C)C 464762667 WYMRTLRCFXXDEI-DZGCQCFKSA-N 260.381 3.566 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC(C)(c2ccccc2)CC1 285780931 OEBDQXAJXZCQOW-KRWDZBQOSA-N 284.403 3.507 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc2cccc(Cl)c2[nH]1 553418197 LBTALPDRJKBDHA-UHFFFAOYSA-N 289.766 3.923 30 20 CHED N#Cc1ccc(N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)nc1 283400085 FKQREZXHWITZOZ-QZTJIDSGSA-N 287.366 3.778 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 466643872 YUTCUKOMHRGGEL-GOSISDBHSA-N 287.378 3.895 30 20 CHED CC(C)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 463296392 TYJNSJWCWLYPCP-NVXWUHKLSA-N 256.393 3.982 30 20 CHED C=C[C@H](C)NC(=O)N(Cc1ccccc1F)CC(C)C 464754280 FLEFIYNIZZKQPU-ZDUSSCGKSA-N 278.371 3.568 30 20 CHED C=C(C)CN(CC)C(=O)NCCCc1cccc(Cl)c1 559603757 FNCHYNXDTCDWAH-UHFFFAOYSA-N 294.826 3.880 30 20 CHED C=CCC[C@H](NC[C@@H](C)N1CCC[C@H](C)C1)c1ccco1 552224213 OBZBRNVVIPIJBG-BBWFWOEESA-N 290.451 3.997 30 20 CHED CC1CCC(C)(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 462310577 DAPYZYKJTDOGRO-HVEKOLDVSA-N 298.430 3.994 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(-c2csc(C)n2)c[nH]1 281739682 ORMZOXUIVYVSKB-LBPRGKRZSA-N 289.404 3.531 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 466315996 CJBJIZJIQBSOKM-HZSPNIEDSA-N 252.402 3.561 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCc2c1cccc2C(F)(F)F 286222020 XQSVGJZOTDXRQS-CQSZACIVSA-N 296.292 3.534 30 20 CHED N#C[C@@H]1CC[C@@H](NCC(F)(F)c2ccc(Cl)cc2)C1 552097691 KGZCKBXWMMODTP-ZWNOBZJWSA-N 284.737 3.714 30 20 CHED CC(C)(C)CCCNC(=O)NC1(c2cccc(C#N)c2)CC1 558528035 LIGIJLVBXUDHBB-UHFFFAOYSA-N 299.418 3.673 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCCN1CCC)c1ccco1 556924648 UASKQWCGFPJWCJ-JKSUJKDBSA-N 276.424 3.751 30 20 CHED Cc1cnc([C@@H](C)CNc2nc(Cl)c(C#N)s2)s1 286995137 UHZRKHPHTMCBFK-LURJTMIESA-N 298.824 3.649 30 20 CHED Cc1cc(=N[C@@H](C)c2ccccc2OC(C)C)cc(C#N)[nH]1 553295646 KZNHVUHESYJHJY-AWEZNQCLSA-N 295.386 3.644 30 20 CHED CC[C@H](C#N)Nc1cccc(Cl)c1OCC(F)F 287199823 LRZXADPVIKKPBZ-MRVPVSSYSA-N 274.698 3.698 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(OCC)cc2)n1 551490417 PLJLDDHBINUKEY-UHFFFAOYSA-N 286.375 3.913 30 20 CHED N#CCCCC(=O)OCc1nc(C2CCCCC2)cs1 291027822 FYHYXFNCHWDGBG-UHFFFAOYSA-N 292.404 3.928 30 20 CHED C#CCCCNc1ccccc1O[C@@H](C)C(F)(F)F 809195000 HMJOTMGSVRHVII-NSHDSACASA-N 271.282 3.842 30 20 CHED CCn1c(C(C)=NNCC2CCCC2)nc2ccccc21 808007141 RGPLBNSIXYSECL-UHFFFAOYSA-N 284.407 3.560 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(-c2ccnn2C)ccc1C 293584739 JYZGMKDKHXJUJR-UHFFFAOYSA-N 297.402 3.936 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(O[C@@H](C)C#N)cc1 299667474 UVTWIKOKFWDKCG-UJZCVKTISA-N 281.311 3.775 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1C(C)C)C(C)(C)C 808482160 KNJFQWTXAPFYAL-OAHLLOKOSA-N 272.392 3.979 30 20 CHED CC[C@](C)(C#N)NC(=O)c1[nH]c2c(Cl)cccc2c1C 562724145 NUQSJLZKRGRHQF-OAHLLOKOSA-N 289.766 3.552 30 20 CHED C=CCCCC(=O)N(C)CCOc1ccc(Cl)cc1 479527065 OAXFRAHWKQXUEG-UHFFFAOYSA-N 281.783 3.534 30 20 CHED N#CC1(CNCc2ccc(-c3c(F)cccc3F)o2)CC1 569187383 OCJILEDVXZDXFT-UHFFFAOYSA-N 288.297 3.618 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CC[C@H](C)C1 475300580 GZNNUHWSAQEJHJ-LSDHHAIUSA-N 266.429 3.810 30 20 CHED C#CCCc1noc(-c2cccc3c2ccn3CC(C)C)n1 809397938 JRQFZVFLGZYQDX-UHFFFAOYSA-N 293.370 3.913 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc(C)c(C)c1)C1CC1 472568951 WUFOYANORLFXEC-SFHVURJKSA-N 273.420 3.595 30 20 CHED Cc1nsc(NCC(C)(C)c2cccc(F)c2)c1C#N 568792061 JQSJBIFBCSFDTH-UHFFFAOYSA-N 289.379 3.852 30 20 CHED C=CCC(C)(C)c1nc([C@H]2CCC(F)(F)C2)no1 293180762 ZFNBJZTXGPENLX-VIFPVBQESA-N 256.296 3.826 30 20 CHED C=CCCCC(=O)NCc1ccc(C(C)(F)F)cc1 293752121 KMSMATIYQZUUJF-UHFFFAOYSA-N 267.319 3.771 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2ccc(F)cc21 562364292 KKDVINSTQFVNPV-GOEBONIOSA-N 288.366 3.563 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)nc1 803061692 ZBPBYGDVGGAKQX-NSHDSACASA-N 299.292 3.898 30 20 CHED CC(C)c1nnc(CSc2cccc(F)c2C#N)s1 566497895 ODKZAYCZGBEZHB-UHFFFAOYSA-N 293.392 3.965 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccc3c(c2)COC3)c1 806585159 KYXLYHUZGCWWTO-UHFFFAOYSA-N 285.730 3.821 30 20 CHED Cc1ccc(NN=C2CCCCC23CCCC3)nn1 814840086 DWIPRBSECNNLCE-UHFFFAOYSA-N 258.369 3.687 30 20 CHED CCCCCCCc1nc([C@](C)(CC)OC)no1 810332742 BZZQKOHEIAPCQB-AWEZNQCLSA-N 254.374 3.854 30 20 CHED C(=NOCC1CC1)c1ccc(Sc2ccccn2)o1 814243691 JMUHRDHSAIKECX-UHFFFAOYSA-N 274.345 3.586 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@](C)(CCC)C1 815729632 CYICACJUTKGDCH-ZDUSSCGKSA-N 259.340 3.627 30 20 CHED COc1cc(C(C)=NOC/C=C/Cl)ccc1SC 811671020 LQEGFFWNPZSDIB-ZPEYGQBVSA-N 285.796 3.910 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1cccc(C)c1Cl 488824088 YRZBOHJUSUQVJF-CQSZACIVSA-N 277.795 3.758 30 20 CHED C=CCN(CC1CCCCC1)C(=O)COCCCCC 482732495 BNLKEVDDMKZXIV-UHFFFAOYSA-N 281.440 3.788 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1c1cccs1 488576147 IQBRGNFKSISPAU-CYBMUJFWSA-N 286.400 3.713 30 20 CHED C=CCCCCOC(=O)[C@H](C)c1cccc(F)c1 811008278 CQEQRRILBJHRKQ-GFCCVEGCSA-N 250.313 3.829 30 20 CHED CC(C)OC1CC(=NNc2ccc(OC(F)F)cc2)C1 814828795 SFGDNGBXKOJBLD-UHFFFAOYSA-N 284.306 3.643 30 20 CHED CCCn1c(C=NOC/C=C\Cl)nc2ccccc21 811672238 UIWJTLRFBRLVJM-CASMWYGASA-N 277.755 3.549 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)c1ccnc(O)c1 815642550 GDBGHPQXIZQWBW-KBPBESRZSA-N 262.397 3.963 30 20 CHED C=CCn1c(CC)nnc1N1CCC[C@H]1c1ccccc1C 574847775 WTWCYXUVHUIMFE-INIZCTEOSA-N 296.418 3.676 30 20 CHED C=CCCC[C@H](C)NC[C@@H](O)c1ccc(Cl)c(F)c1 819209905 NQUIVFUDHFGTNK-XHDPSFHLSA-N 285.790 3.847 30 20 CHED Cc1csc(NC(=O)N(C)[C@H]2CC[C@@H](C)C2)c1C#N 576834738 QKMXDCSIQKMTCC-KOLCDFICSA-N 277.393 3.581 30 20 CHED C=C(C)CCOC(=O)c1cc(C(F)(F)F)cc(Cl)n1 811229454 FTGDUNSSJDTVKE-UHFFFAOYSA-N 293.672 3.877 30 20 CHED C=CCOCCSCC[C@H]1CC1(Cl)Cl 818155283 SAWWMWGTJRGJTD-VIFPVBQESA-N 255.210 3.506 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)cc1OC 488345534 DXTNXACWNWHMTP-ZDUSSCGKSA-N 274.364 3.576 30 20 CHED C=CCC1(NCC2=Cc3ccccc3OC2)CCCC1 657703214 VIGJKTFKXMDXCQ-UHFFFAOYSA-N 269.388 3.941 30 20 CHED C#CCCCNC/C(C)=C\c1ccccc1OC(F)F 810146243 OJZVMVBQKWKGIL-QBFSEMIESA-N 279.330 3.694 30 20 CHED C[C@H]1C(=NNc2ccccn2)CCCN1Cc1ccccc1 814732015 UCONFJLIHIBXKG-HNNXBMFYSA-N 294.402 3.534 30 20 CHED Cc1cccc(/C=C2/Cc3ccc(C#N)cc3C2=O)c1 811696037 PMFZWMBTMIVFFH-PXNMLYILSA-N 259.308 3.689 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2ccc(C)cc2OC)c1C 727974229 JEKVLKRYMSIWHZ-MDZDMXLPSA-N 298.386 3.733 30 20 CHED C=CCCCN1CCO[C@@H](c2ccc(F)cc2Cl)C1 481597648 YBIBQIZASQUCCZ-OAHLLOKOSA-N 283.774 3.819 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)c(C)c1 577443321 OILMCALVWOFEFA-SFHVURJKSA-N 279.387 3.845 30 20 CHED N#CCc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c(Cl)c1 570595005 FZMSFWHJBYUCNZ-AVGNSLFASA-N 288.778 3.781 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 729072391 IIFGNDITHKYHAD-ZDUSSCGKSA-N 276.376 3.871 30 20 CHED CSCCON=Cc1c(Cl)cccc1Cl 727411723 MBQTVVLGQMWRDU-UHFFFAOYSA-N 264.177 3.707 30 20 CHED Cc1ccc(C2CC(=NNc3ccccn3)C2)cc1 729816645 MWFPLTIJQMFHSF-UHFFFAOYSA-N 251.333 3.736 30 20 CHED Cc1cc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)oc1C 570812157 LZEFYBBHNVOYPE-INIZCTEOSA-N 294.354 3.576 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C/c1ccsc1 492472872 LBHJLEOIEYJCAV-SYTKJHMZSA-N 298.367 3.691 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(O)c(C)c2)c1OC 728231192 JPMIFZMTYKTLMM-YFHOEESVSA-N 298.338 3.614 30 20 CHED CCCCc1ccc(N(C)C(=O)c2ccc(C#N)n2C)cc1 826811585 CLFRUCVMVSHEEC-UHFFFAOYSA-N 295.386 3.516 30 20 CHED CC(C)(C)c1cccc(C(=O)N[C@H](C#N)C(C)(C)C)c1 578140173 AZDSBZNHAPLQDW-CQSZACIVSA-N 272.392 3.652 30 20 CHED C[C@H]1CCC[C@H](OC(=O)CSc2ccc(C#N)cc2)C1 728455494 SIRWARVJIFCPMC-JSGCOSHPSA-N 289.400 3.772 30 20 CHED CCn1c(C)cc(C=NNc2ccccc2F)c1C 728226270 LGSYMQFKGMTKID-UHFFFAOYSA-N 259.328 3.710 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)C#CC(C)C)c1C 828590204 COKGMAZTWKNMMS-QGZVFWFLSA-N 269.388 3.626 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 828795720 XAQNDQIKIGAQRH-XGWLTEMNSA-N 289.806 3.813 30 20 CHED CN(C)c1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1Cl 903353759 GKLLUACPKGPTCM-MNOVXSKESA-N 263.772 3.510 30 20 CHED C#C[C@H](NC(=O)N(C1CC1)[C@H](C)C(C)C)c1ccccc1 820599554 NRELNYQHCBSAQG-PBHICJAKSA-N 284.403 3.579 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H](C)c1cccc(OC)c1 490083110 FTFNEYLRDWUKGT-AWEZNQCLSA-N 289.419 3.907 30 20 CHED CCN(C)c1ccc(/C=C\C(=O)c2ccc(C)cc2)cn1 588578361 ONOQCAWYDTXSMM-XFFZJAGNSA-N 280.371 3.742 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccccn1)C(C)(C)C 904791259 GUBGQTMJYCSBTH-AWEZNQCLSA-N 274.408 3.811 30 20 CHED C/C=C(/CC)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 588570116 VAISKUMDPGKYNP-WVVNNJFASA-N 297.383 3.738 30 20 CHED N#Cc1cc(F)ccc1CN[C@@H](Cc1ccccc1)C1CC1 495485477 WFLGJSURXVGVBF-IBGZPJMESA-N 294.373 3.808 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H](SC)C1 838594787 JWADONLJUBRUPQ-CQSZACIVSA-N 284.469 3.660 30 20 CHED C=CCCCCCN(C)C[C@H](O)c1c(F)cccc1F 739932205 YMRLTHLUJQUILZ-HNNXBMFYSA-N 283.362 3.676 30 20 CHED CCCCC[C@@H](NC(=O)[C@@H](C)C#N)c1ccccc1 736676810 VIONQZTUYCCZPZ-DZGCQCFKSA-N 258.365 3.584 30 20 CHED N#C[C@@]1(C(=O)OCCC2=CCCCC2)CC12CCCC2 837903698 XFDYMICUJNRCJY-QGZVFWFLSA-N 273.376 3.894 30 20 CHED CCCCN(C(=O)c1cccc(C#N)n1)C1CCCCC1 589751961 CPGRFHOYMPFMEH-UHFFFAOYSA-N 285.391 3.528 30 20 CHED C#CCOc1cccc(NC(=O)N[C@H](C)CCC(C)C)c1 731110881 HYLGLMXCTOPYJY-CQSZACIVSA-N 288.391 3.645 30 20 CHED CC[C@H](N[C@@H](CCOC)c1ccco1)c1cccc(C#N)c1 902944348 GBYJQMSZBZRUAN-IRXDYDNUSA-N 298.386 3.970 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(F)ccc2Cl)C1 839062872 OFJFIKZUZUIICW-GXSJLCMTSA-N 281.714 3.718 30 20 CHED CCO[C@@H](c1noc(CC2(C#N)CCCCC2)n1)C(C)C 904127015 CVVDLAZXEOKLCB-CQSZACIVSA-N 291.395 3.820 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)n1C 735066227 RBQQPCPKYLWPHW-GFCCVEGCSA-N 286.350 3.526 30 20 CHED CCc1ccccc1-c1cccc(C[C@@H](C#N)CO)c1 904842252 RTKWOHHIENDWBQ-HNNXBMFYSA-N 265.356 3.591 30 20 CHED CN(C)c1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1F 734305350 RHCVVEKVLCDZBV-NTUHNPAUSA-N 299.320 3.853 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1cnccc1C 835020733 ONSBXSOIHACBSD-QGZVFWFLSA-N 283.350 3.530 30 20 CHED O=C(c1ccc(Cl)c(F)c1)N(O)Cc1ccc(F)cc1 901376759 ZJHHFNXFCBPWGZ-UHFFFAOYSA-N 297.688 3.650 30 20 CHED Cc1cc(NC[C@@H](C)Sc2ccccc2)cc(C#N)n1 581078643 ZBOBFTIHUAXBCX-CYBMUJFWSA-N 283.400 3.854 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@@H](CC(C)C)C1)C(=O)O 901691265 USYMWHKAMQATCY-ZNMIVQPWSA-N 267.413 3.600 30 20 CHED COc1cc(C=NNCCC(F)(F)F)cc2ccccc12 834976466 KWOJJQNUDPVOCJ-UHFFFAOYSA-N 296.292 3.724 30 20 CHED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccsc1 589344250 VQDOHOFGSZQJOD-MEDUHNTESA-N 268.385 3.958 30 20 CHED COc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 739425907 QYYLXNXKRLNXMB-POHAHGRESA-N 297.310 3.808 30 20 CHED C#CCCOc1ccc(CNC[C@H](C)C(C)(C)C)cc1 734510769 ZMERQTIKPRVXCQ-HNNXBMFYSA-N 273.420 3.861 30 20 CHED N#CCOc1cccc(C=NNc2cccc(Cl)c2)c1 915935188 UVNRDSTYWJGGGD-UHFFFAOYSA-N 285.734 3.688 30 20 CHED C#CCO[C@H](C)c1nc(-c2cccc(C(C)(F)F)c2)no1 834892583 WPJCNYSJSKELFR-SNVBAGLBSA-N 292.285 3.559 30 20 CHED C=CCC(=NNc1cc(C)nc(C)n1)c1ccc(F)cc1 735612395 JNUSGSPNRFIQNS-UHFFFAOYSA-N 284.338 3.625 30 20 CHED Cc1c(C(=O)OCC#Cc2ccccc2)oc2ccccc12 917949200 CXYXHUYPWWVALH-UHFFFAOYSA-N 290.318 3.950 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)Cc1ccsc1 918713089 UZWMEZJCDAEAGC-UJFYRASASA-N 275.373 3.512 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(Cl)c2F)C1 839051355 DJYKEHOMDKPZKH-NXEZZACHSA-N 281.714 3.718 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](CC)c1ccnc(Cl)c1 838916115 RVJAZWABXSHPET-DGCLKSJQSA-N 297.782 3.711 30 20 CHED O=C(C#CC1CC1)NC1(c2ccc(Cl)cc2)CCCC1 837383138 CBJPQRIEMTUACF-UHFFFAOYSA-N 287.790 3.639 30 20 CHED CCN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H](C)C#N 598882381 LUGKUJDHXMMOOX-HNNXBMFYSA-N 292.382 3.579 30 20 CHED C[C@@H](NC(=O)N1CCCCCCC1)c1cccc(C#N)c1 743709037 QQKMJICWKMOEAR-CQSZACIVSA-N 285.391 3.595 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CCC1CCCCCC1 593956024 WGDMVPNBBDEIJN-MRXNPFEDSA-N 264.413 3.791 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C1CCSCC1 915975502 IWSGUNJUZACFDF-UHFFFAOYSA-N 285.756 3.543 30 20 CHED CC(C)Oc1ccccc1CN1CCC[C@H](CC#N)C1 595615136 PDMJTVWCOKAVNS-OAHLLOKOSA-N 272.392 3.599 30 20 CHED C=CCCCC[C@H](C)NC1CCN(C(=O)C(C)(C)C)CC1 678698440 SVHXUVGAHJOOMF-HNNXBMFYSA-N 294.483 3.748 30 20 CHED Cc1nc(CON=Cc2ccccc2C(F)(F)F)oc1C 749674162 KAACZDLRZGDRSM-UHFFFAOYSA-N 298.264 3.861 30 20 CHED CC1(C)C[C@@]1(CNCc1ccc(C#N)o1)c1ccccc1 596061864 LCBDKSCHTVOOGM-GOSISDBHSA-N 280.371 3.609 30 20 CHED C=CC[C@H]1CCC(=NNc2ccc(C(=O)O)cc2)C1 844562710 JEQJJYLBOZANKY-NSHDSACASA-N 258.321 3.529 30 20 CHED CCC(=NNC(=S)NC(C)(C)C)c1cccc(Cl)c1 916604271 FFEGLHJHCDDAAR-UHFFFAOYSA-N 297.855 3.717 30 20 CHED COc1ccccc1C=NNc1cc(F)c(F)c(F)c1 747641741 FKEAGYQIANWMDL-UHFFFAOYSA-N 280.249 3.559 30 20 CHED Cc1ccc(C#N)nc1NCc1ccccc1OC(C)C 596084068 GPCMSOWFGYQSQN-UHFFFAOYSA-N 281.359 3.661 30 20 CHED COc1ccc(CO)c(-c2ccc(C3(C#N)CCC3)s2)c1 596642673 USFRYTSTCKNBBQ-UHFFFAOYSA-N 299.395 3.861 30 20 CHED Cc1sccc1CNCc1ccc(C#N)c(Cl)c1 590190544 NJMKYRRZDGHSDN-UHFFFAOYSA-N 276.792 3.871 30 20 CHED CCCC(C)(C)C(=O)OCc1cc(F)ccc1C#N 845355890 ANURZYFEBRYJQD-UHFFFAOYSA-N 263.312 3.567 30 20 CHED Cc1ccc2[nH]cc(C=NNc3cc(Cl)nc(C)n3)c2c1 741765950 GMTNDNAKKFVKJU-UHFFFAOYSA-N 299.765 3.674 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3c2OCCO3)c(C)c1 917516568 AXMNLSAUSHJMSA-CLFYSBASSA-N 294.350 3.971 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc2c(C)ccc(Cl)c2s1 593704901 ZPKFOSQBSQYOMK-MRVPVSSYSA-N 293.779 3.746 30 20 CHED N#Cc1ccc(CC(=O)OCCC2CCCCC2)cc1 744248271 KCHDJCQSEBOWCV-UHFFFAOYSA-N 271.360 3.614 30 20 CHED COc1ccc(COCCSCC2(C#N)CCC2)cc1 591382374 CBSFHPHQXPANCA-UHFFFAOYSA-N 291.416 3.639 30 20 CHED N#CC1(CC(=O)Nc2c(F)cccc2F)CCCCC1 596882049 NJSHTBYZBSOKQJ-UHFFFAOYSA-N 278.302 3.767 30 20 CHED CO[C@@]1(C)CC(=NNc2cc(F)c(F)cc2F)C1(C)C 746577018 SXASNEXUEBPQMQ-AWEZNQCLSA-N 286.297 3.707 30 20 CHED Cc1ncc(C=NNc2nc3ccccc3s2)s1 917530477 JDAAKQYOWWZVKJ-UHFFFAOYSA-N 274.374 3.507 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(O)cc1 916316491 CWFBPPRRZOQDJF-UHFFFAOYSA-N 296.157 3.930 30 20 CHED Cc1ccc(-n2ncc(N[C@H]3CCC[C@@H](C#N)C3)c2C)cc1 593726026 VYIYJCDLARBWDF-CVEARBPZSA-N 294.402 3.983 30 20 CHED C=CCOC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 748385129 HHSCYAJMTGDUOK-KTKRTIGZSA-N 270.250 3.838 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC(CC(F)(F)F)CC1 595474877 HTXDLVYGJYOBAI-AWEZNQCLSA-N 282.309 3.916 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc2c(c1)OCO2 747003903 USSUGCZWGMAFOR-GQCTYLIASA-N 296.322 3.628 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1CN(C)C 921207824 KKDDYPPPRKACBR-MRXNPFEDSA-N 282.472 3.680 30 20 CHED C=C(Br)COC(=O)c1cc2cccc(C)c2o1 747264920 SNZYMFLKKJPSAY-UHFFFAOYSA-N 295.132 3.807 30 20 CHED N#Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1F 597125619 WSOLZJHBJKOKGD-UHFFFAOYSA-N 285.322 3.500 30 20 CHED CCSCCSc1nc2c(c(C)c1C#N)CCC2 741477030 YCPQNZIUXLWSQE-UHFFFAOYSA-N 278.446 3.596 30 20 CHED Fc1ccc(CNN=Cc2coc3ccccc23)cc1F 746566249 VJQQNNSHZRWTJK-UHFFFAOYSA-N 286.281 3.835 30 20 CHED C#C[C@H](OC(=O)CCCC(F)(F)F)c1ccc(F)cc1 842406966 IWCPSEPFXDRGIW-LBPRGKRZSA-N 288.240 3.776 30 20 CHED C#CCCCCCOC(=O)[C@@H]1C[C@H]1c1ccccc1OC 842330629 UVBOIYZJFGOKEL-JKSUJKDBSA-N 286.371 3.536 30 20 CHED CCC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@@H]1C[C@H]1C 841605369 ZXXNMGIGPIRQQS-PSASIEDQSA-N 280.755 3.872 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2cc(C)ccc2OC)c1C 750911354 YYZFVDCIEWLOMF-HJWRWDBZSA-N 298.386 3.733 30 20 CHED Cc1cccc(C)c1NC(=S)NN=C/C=C\c1ccco1 920362280 UJWBKLIUBBWIBF-DIAYEQPTSA-N 299.399 3.882 30 20 CHED C[C@H]1CCC[C@H](CC(=O)OCc2cc(C#N)ccc2F)C1 750243055 SDGAXTCEONWPLH-STQMWFEESA-N 289.350 3.957 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cc(Cl)cc2c1OCC2 926155996 NKJGYCLVSUZEOE-LLVKDONJSA-N 292.810 3.693 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cnn([C@H](C)C2CC2)c1 926222156 SWSPVZUJAGZFAX-VXGBXAGGSA-N 260.385 3.594 30 20 CHED C=CCCN[C@@H](C)c1ccc(C(F)(F)F)nc1Cl 856776684 HTJZYZUIHYWKAR-QMMMGPOBSA-N 278.705 3.981 30 20 CHED COc1ccc(OC)c(C=NOC/C=C\c2ccccc2)c1 852289618 XAKZHZCRCAHUTJ-GHXMFXPRSA-N 297.354 3.768 30 20 CHED C#CCCCCNC(=O)NCc1cccc(Cl)c1Cl 758725107 KZHXTTYVLZULCZ-UHFFFAOYSA-N 299.201 3.596 30 20 CHED C=CCCC(C)(C)NC(=O)/C=C\SCc1ccco1 856373822 ALAUFPXJKNXASM-FLIBITNWSA-N 279.405 3.888 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC(=O)c2ccccc21 851203796 FOLZHIJAURGSEU-SWLSCSKDSA-N 299.370 3.618 30 20 CHED CC(CCCc1cccnc1)=NNc1ccc(Cl)cn1 853435906 USSHTZGJMVEGKS-UHFFFAOYSA-N 288.782 3.941 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(CSC)CC1 921817265 RRYABZZABJGLBL-ZDUSSCGKSA-N 284.469 3.516 30 20 CHED CCN1C(=O)CCc2cc(N[C@@H](C)CC(C)(C)C#N)ccc21 926172073 XRAULMQWRPKYPW-ZDUSSCGKSA-N 299.418 3.726 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 752874080 IEKUICFXJXCAPG-TWGQIWQCSA-N 285.274 3.938 30 20 CHED C[C@@H]1CCCCN1N=Cc1cc(Br)cs1 853379313 NHEYSPHIKYUIBV-SECBINFHSA-N 287.226 3.719 30 20 CHED CCC(CC)CC(=O)OCc1ccc(F)c(C#N)c1 759418394 XUGWQDZJCGWQLE-UHFFFAOYSA-N 263.312 3.567 30 20 CHED CC[C@H]1CCCC(=NNc2ccc(C(F)(F)F)nn2)C1 754711032 RHTJAAKQKHKDDE-VIFPVBQESA-N 286.301 3.864 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1cccc(OCC#N)c1 920438775 ZZWNDEONMXUYJQ-KBPBESRZSA-N 286.375 3.744 30 20 CHED Cc1cccc(O[C@@H](C)C(=O)O[C@H](C)CC(C)(C)C#N)c1 851213025 CHQSKUIFEXRDOP-KGLIPLIRSA-N 289.375 3.634 30 20 CHED C#CCN(C(=O)C(C)=C1CCCC1)C1CCCCC1 753597126 PWZCKOJOLVUUCW-UHFFFAOYSA-N 259.393 3.671 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](Cc1ccccc1)C1CC1 925452528 WOJIGXCXDGXGSJ-WMLDXEAASA-N 270.420 3.926 30 20 CHED COc1cc(C(C)=NNc2cc(C)ccc2F)ccc1O 759653643 UHGBHBCSYKXIPA-UHFFFAOYSA-N 288.322 3.684 30 20 CHED C=C(Cl)CSCCC(=O)Nc1ccccc1 853783936 RLIQKWBEQBLAQD-UHFFFAOYSA-N 255.770 3.501 30 20 CHED CCCC[C@@](C)(F)C(=O)OCC1(C#N)CCCCC1 850932457 NEUIEGLKJVEMCC-CQSZACIVSA-N 269.360 3.922 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@H]([C@@H](C)O)C1 753217084 ZBVAGTIGQFZPQI-CVEARBPZSA-N 298.471 3.539 30 20 CHED N#CCC1(CN2CC=C(c3c[nH]c4ccccc34)CC2)CC1 933820824 ZOTVCQLRGVZZIS-UHFFFAOYSA-N 291.398 3.951 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1cc(Cl)ccc1O 757469017 YEYMZXXNIZOJRK-FNORWQNLSA-N 298.729 3.589 30 20 CHED N#Cc1cccc(NN=C/C=C\c2ccc(F)cc2F)c1 758104307 NULFVDZEYYOHPW-SPOXFQEKSA-N 283.281 3.948 30 20 CHED FC1(F)CCC(=NNc2ccc(Cl)cn2)CC1 853436603 ZULSPHCRNGGACH-UHFFFAOYSA-N 259.687 3.712 30 20 CHED C[C@@H](C#N)OC(=O)c1cccc(-c2c(F)cccc2F)c1 757781514 AVWWWFORFHPSEJ-JTQLQIEISA-N 287.265 3.701 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 860198489 WJVGPFMCFVIIDL-LLVKDONJSA-N 290.319 3.529 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1cccc(CC2CCC2)c1 864512702 LZMFDOORYAPVJI-KRWDZBQOSA-N 287.403 3.538 30 20 CHED Cc1c(C#N)cccc1NCCCOc1ccc(C#N)cc1 769850958 KTGYQQIQQMHYAS-UHFFFAOYSA-N 291.354 3.619 30 20 CHED C=CCCC(=O)COC(=O)[C@H](c1ccccc1)C(C)C 761411271 HFVYXJULUNJFGI-INIZCTEOSA-N 274.360 3.505 30 20 CHED Cc1ccc(NN=Cc2c[nH]c3ccc(C#N)cc23)cc1 760216637 RJYGNWQIKDXMCO-UHFFFAOYSA-N 274.327 3.794 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1snc(Cl)c1C#N 760599571 CKAPTZOLJJJWGF-YFKPBYRVSA-N 283.706 3.811 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1csc(C(C)C)n1 768783955 JPVBLJDPEAOONJ-UHFFFAOYSA-N 299.403 3.979 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H](C)Cn1ccc(C)n1 868069261 JHXHMQDSXXBASM-CQSZACIVSA-N 297.402 3.585 30 20 CHED O=C(/C=C\c1cccc(-n2cccn2)c1)c1ccccc1F 760264203 LNIRSHJIKNMOHC-KTKRTIGZSA-N 292.313 3.908 30 20 CHED C#CCN(Cc1ccc(C(F)(F)F)cn1)C1CCCCC1 769706676 WJKMHSCCXSMYKS-UHFFFAOYSA-N 296.336 3.868 30 20 CHED C/C=C(/C=C/C(=O)N(CCC#N)CCC(C)C)CC 765417227 PALAYQLXEVONAU-KNVGQEEKSA-N 262.397 3.687 30 20 CHED C#CCC(C)(C)COC(=O)c1oc(-c2ccccc2)nc1C 760275356 GZOOJSDOQFRRRU-UHFFFAOYSA-N 297.354 3.856 30 20 CHED CCc1nc(C)c([C@H](C)OC(=O)C(C#N)(CC)CC)s1 860560425 IHWVPKSORXGEGT-NSHDSACASA-N 294.420 3.948 30 20 CHED C(C[C@H]1CCOC1)=NN=C(c1ccccc1)c1ccccc1 765547678 DNPCSKSLJZJRHP-INIZCTEOSA-N 292.382 3.936 30 20 CHED CC(=NNc1cccc(F)c1)c1ccccc1N(C)C 769570717 QLMHANGSXLMUJB-UHFFFAOYSA-N 271.339 3.728 30 20 CHED CC(C)[C@H]1CCCCC1=NNc1nccnc1Cl 764691588 CXJXGBUHDSKKSM-SNVBAGLBSA-N 266.776 3.744 30 20 CHED O=[N+]([O-])c1cc(NN=CC2CCCCC2)ccc1F 769822011 MDVRHZLPOFUBPF-UHFFFAOYSA-N 265.288 3.712 30 20 CHED COc1cc(F)ccc1NN=Cc1cc(C)ccc1C 761891519 YPJGENPANSBSLG-UHFFFAOYSA-N 272.323 3.897 30 20 CHED C#CC[C@@H](OC(=O)c1ccc2nc(C)sc2c1)C1CC1 764017682 YGIFCIXGWNOJHD-CQSZACIVSA-N 285.368 3.563 30 20 CHED CCC(=NNCCOC(C)C)c1cccc(Cl)c1F 763405314 BCXUFVMLOBRNPW-UHFFFAOYSA-N 286.778 3.608 30 20 CHED C[C@@H]1CCC(=NNc2cnc3ccccc3n2)C[C@H]1C 767376875 GFAGJJXENLSIHK-VXGBXAGGSA-N 268.364 3.854 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1C[C@@]12CCOC2 763428425 YCYGBOAWRGPDQU-DOTOQJQBSA-N 281.440 3.622 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCC[C@H]1CCCCO1 761015968 SUHDWOCAMWVVDL-SWEABUAFSA-N 281.783 3.814 30 20 CHED C[C@H](CCC1CC1)NCc1ccc(N(C)CCC#N)cc1 768953862 SRSLANIUOVTPTN-OAHLLOKOSA-N 285.435 3.705 30 20 CHED C=CCCC(C)(C)NC(=O)c1ncc(Cc2ccccc2)o1 1118796602 XGDVZFBPCXCBFI-UHFFFAOYSA-N 298.386 3.740 30 20 CHED C#CCC(C)(C)c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 1117547965 PZTQGLSXWVPJQJ-UHFFFAOYSA-N 299.330 3.563 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCc1cc(C#N)ccc1F 773029590 HFWLSFQZGDUUNR-SFHVURJKSA-N 280.346 3.783 30 20 CHED CS[C@@H](C)CCC(=O)O[C@@H](C)c1cccc(C#N)c1 773779046 DHOUXTNENGDUOR-RYUDHWBXSA-N 277.389 3.694 30 20 CHED CCCCCCCC(=O)N1CCC[C@@]1(C)CCCO 770454101 FKJPGPVOBNJIJN-INIZCTEOSA-N 269.429 3.501 30 20 CHED CC(C)(C#N)CC(=O)O[C@H]1C[C@@H](c2ccc(F)cc2)C1 870523525 HIKFNVOZCACFCI-XBXGTLAGSA-N 275.323 3.555 30 20 CHED FC(F)(F)CCN1CCC(=NOC2CCCCC2)CC1 777458591 HJKNUEUKQIYEGM-UHFFFAOYSA-N 292.345 3.740 30 20 CHED C=C(C)CNC(=S)N[C@H](C(=C)C)c1ccc(F)c(F)c1 774203407 BSDNYASAKYGDEF-CQSZACIVSA-N 296.386 3.622 30 20 CHED CCC[C@@H](CC)C(=O)N(CC#N)c1ccc(F)cc1C 875982216 PHGBWFXTSJYGLP-CYBMUJFWSA-N 276.355 3.817 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H]2CC[C@@H](C)C2)cc1 776332305 VBKBZGWKOFYBMR-CHWSQXEVSA-N 260.333 3.593 30 20 CHED C[C@@H]1CC(=NNc2c(Cl)cccc2Cl)CCO1 773203588 RYUDXPCYFUVHSD-MRVPVSSYSA-N 273.163 3.960 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)C1(F)CCCC1 772792328 YZNUAOGWISIESQ-UHFFFAOYSA-N 280.726 3.517 30 20 CHED N#C[C@@H](OC(=O)[C@@H]1CC12CCCC2)C1CCCCC1 776394412 XHQRMDRBDSCYLX-UONOGXRCSA-N 261.365 3.582 30 20 CHED CCC[C@@H](C)C(CC)=NNc1cccc(S(C)(=O)=O)c1 776264699 ZBKDXTHOGRDOMC-GFCCVEGCSA-N 296.436 3.704 30 20 CHED COc1cccc(NN=C2CCc3c(Cl)cccc32)n1 779819076 ITKSQAKNWLAHHE-UHFFFAOYSA-N 287.750 3.506 30 20 CHED CCCCOc1ccccc1/C=C/C(=O)c1cc(C)nn1C 789160580 XLLNGYRKGMVYOZ-ZHACJKMWSA-N 298.386 3.804 30 20 CHED C=CC(C)(C)CC(=O)N(CC(F)(F)F)C1CCCC1 889361919 FGCWTDUADOVFMX-UHFFFAOYSA-N 277.330 3.922 30 20 CHED CC1(C)COc2c(C(=O)O[C@@H]3CCC[C@H](C#N)C3)cccc21 1129725609 YNRWCLURVJARDW-QWHCGFSZSA-N 299.370 3.596 30 20 CHED CC1(NC(=O)Nc2nc(Cl)c(C#N)s2)CCCCC1 888412917 YRQDTFWSJBMCAT-UHFFFAOYSA-N 298.799 3.512 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc2c(c1)oc1ccccc12 1122647880 UTQZNJDTHVWXEL-NSHDSACASA-N 279.295 3.902 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)CCc1ccco1 783874362 LIKAHBBFRRJUDQ-UHFFFAOYSA-N 299.370 3.749 30 20 CHED OC[C@@H](NN=Cc1csc2ccccc12)c1ccccc1 788467496 CJVRDIOLJCFFBR-MRXNPFEDSA-N 296.395 3.558 30 20 CHED N#CC1(C(=O)Nc2c[nH]c3ccccc23)CCCCC1 888111934 JWTYEZQWWITLMG-UHFFFAOYSA-N 267.332 3.580 30 20 CHED CCCCCC(C)(C)CNC(=O)N1CCC[C@@](C)(C#N)C1 784370760 AFFXHKRCZRNSBR-KRWDZBQOSA-N 293.455 3.928 30 20 CHED CC(C)Sc1cccc(Cl)c1C=NNC[C@@H](C)C#N 786036508 KQLQHGSQCIALDC-NSHDSACASA-N 295.839 3.924 30 20 CHED C=CCCC(=O)COC(=O)c1cc(C)c(C)cc1Cl 781310205 MSHMEJBAQKMIIL-UHFFFAOYSA-N 280.751 3.649 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)CCOc2ccccc21 899353558 RHSCKEBGCQDEMK-UVTDQMKNSA-N 294.354 3.657 30 20 CHED C=CCC1(c2nc([C@H]3CC3(Cl)Cl)no2)CCC1 896812317 ZCIAVJDGDOMIKX-MRVPVSSYSA-N 273.163 3.729 30 20 CHED N#C[C@H]1CCCN(c2ccc(-c3ccccc3Cl)nn2)C1 895648247 COCHMJZORGORKJ-GFCCVEGCSA-N 298.777 3.537 30 20 CHED Fc1cccc(C2CC(=NOCC(F)(F)F)C2)c1 781596591 JSZXTLIUGINKCM-UHFFFAOYSA-N 261.218 3.638 30 20 CHED CCCCC[C@H](C)CC(=O)N(CC#N)c1ccccn1 892471611 UJBGOSMCNMMEHR-AWEZNQCLSA-N 273.380 3.545 30 20 CHED CCN(CCc1ccccn1)[C@H](C)c1cccc(C#N)c1 785469975 PHLWOWYUCRGOLM-OAHLLOKOSA-N 279.387 3.579 30 20 CHED Cc1ncsc1C[S@](=O)CCCCC1(C#N)CCC1 899408980 GOOAZRWYCVGMIW-LJQANCHMSA-N 296.461 3.564 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCC[C@H]1CCF 794869943 GPYHPQZVQJUXGS-AGIUHOORSA-N 299.459 3.545 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cc(C)on1 790296093 ALZSESZWSZZUKY-UHFFFAOYSA-N 257.337 3.744 30 20 CHED C[C@H]1CC(=NNCC(C)(C)CO)C[C@@H](c2ccccc2)C1 799115593 GQIBCZVWCZSQOP-ZBFHGGJFSA-N 288.435 3.554 30 20 CHED C=C1CCC(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC1 891188285 CKBFLUUFIZVWOZ-INIZCTEOSA-N 285.387 3.875 30 20 CHED CC(C)c1ccoc1C(=O)Nc1cc(C#N)c(F)cc1F 1132689334 FTAQINRAQIBBDE-UHFFFAOYSA-N 290.269 3.805 30 20 CHED CC[C@H](C)CON=C(C)CCc1ccc(OC)c(O)c1 793164232 UCEZMRLWLQGLEU-LBPRGKRZSA-N 279.380 3.772 30 20 CHED CCCCCCCCCNC(=O)c1ccnc(F)c1F 792047398 TZODKJKBBCIERP-UHFFFAOYSA-N 284.350 3.840 30 20 CHED CC(=NNc1nccn1C)c1cc2cc(C)c(C)cc2o1 790300494 UPXYLKJUOSQOLN-UHFFFAOYSA-N 282.347 3.619 30 20 CHED c1cncc(CON=C2CCC[C@H](c3cccnc3)C2)c1 799884818 LJRMISYDBXQCCY-HNNXBMFYSA-N 281.359 3.707 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCC[C@@H]1CCF 794869946 GPYHPQZVQJUXGS-UPJWGTAASA-N 299.459 3.545 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@H](C)c1ccccc1 799440582 KMZSEZPJIWOCPK-CYBMUJFWSA-N 279.339 3.830 30 20 CHED c1cncc([C@@H]2CCCC(=NN[C@@H]3C[C@H]4CC[C@H]3C4)C2)c1 799883495 FKRWVBJYFAEOTO-JTOWHCCKSA-N 283.419 3.873 30 20 CHED C[C@@H](c1ccccc1)n1ccc(Nc2ccnc(C#N)c2)n1 1162786127 FLJYTBHRPSIKRA-ZDUSSCGKSA-N 289.342 3.503 30 20 CHED C=C(Cl)CN(C)[C@@H]1C[C@H](OCC)C1(CC)CC 1167818389 FTPKJRSOJAEILP-OLZOCXBDSA-N 259.821 3.655 30 20 CHED C[C@@H](Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 1322584473 BTZWHZJGABBVHC-ZDUSSCGKSA-N 289.338 3.954 30 20 CHED C#C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(C)(C)C 702236012 IAUWHYFQWMJIDA-CYBMUJFWSA-N 298.213 3.700 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccccc1SCC 1320306484 UNCCIDOLKQDQGT-QWHCGFSZSA-N 265.422 3.650 30 20 CHED Cc1nnc(-c2cccc(Oc3ccc(C#N)cc3)c2)o1 1322109106 DKRATSILPKQCGK-UHFFFAOYSA-N 277.283 3.709 30 20 CHED N#Cc1ccccc1OCCSc1ncccc1Cl 60428885 IZPQPPDXWAPQCZ-UHFFFAOYSA-N 290.775 3.778 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)[C@@H]1CCC[C@@H](C)C1 1186713201 KBHUDHPHZORDJA-NTZNESFSSA-N 261.344 3.719 30 20 CHED C#C[C@@H](CC)NC(=O)c1c(Cl)cccc1C(F)(F)F 712552144 CMMDDFZZXKRYKK-QMMMGPOBSA-N 289.684 3.500 30 20 CHED CCc1ccc(C(=O)N(CCC#N)CC2CC2)cc1CC 1337225252 QMRUKYMWOBFFAZ-UHFFFAOYSA-N 284.403 3.577 30 20 CHED C=C(C)CCC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 1335861158 FBLQKHNCFYIFCQ-WBVHZDCISA-N 287.403 3.627 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2cnccc2c1 1336237827 HZBXQKQAJNAWCA-QGZVFWFLSA-N 280.371 3.806 30 20 CHED C[C@H](NCCCCOC(C)(C)C)c1ccc(C#N)cc1 573977910 NVWBZKFXTVXPPS-AWEZNQCLSA-N 274.408 3.804 30 20 CHED CC(C)c1ccccc1CNCc1cccc(C#N)c1 782539497 KIYQOXAKSXDXLJ-UHFFFAOYSA-N 264.372 3.971 30 20 CHED COc1ccc(Cl)c(CN(CCC#N)CC(C)C)c1 792231126 KWKMSMQKOXPBQK-UHFFFAOYSA-N 280.799 3.720 30 20 CHED CC(C)(NCC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 1336859503 UZFHQSMYCDSXMS-UHFFFAOYSA-N 282.309 3.834 30 20 CHED C=C1CCC(C(=O)N[C@H](CCOC)c2ccc(C)o2)CC1 1262084536 VITKTDKTIFXNDP-OAHLLOKOSA-N 291.391 3.528 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1cccc(F)n1 1347230088 DCXCGLNXJCSJHG-ZNMIVQPWSA-N 294.329 3.509 30 20 CHED C=C[C@H](C(=O)Nc1cc(C)n(C(C)C)n1)c1ccccc1 1347183870 UXOLAIDWWPLCGF-HNNXBMFYSA-N 283.375 3.681 30 20 CHED Cc1nsc(C)c1C(=O)Nc1ccc(C#N)c(Cl)c1 1348340318 XLYBZQPRQNVPBV-UHFFFAOYSA-N 291.763 3.537 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H]1CCCC(C)(C)C1 1436616448 GUDWXJQTJCSIQT-CYBMUJFWSA-N 287.359 3.692 30 20 CHED Cc1cscc1NC(=O)[C@H](CC#N)c1ccccc1 1519194811 PSKMTVKUNUXYDW-CYBMUJFWSA-N 270.357 3.693 30 20 CHED C=C[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 1519811656 HHQMYXGRFVGIIM-SJORKVTESA-N 299.414 3.564 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2cccc(F)c2Cl)c1 1520644052 WCUMIYMKAKXGBD-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#C[C@@H](C(=O)/C=C/C1CCCCC1)c1cccc(F)n1 1524705938 VNFXGNGHDITESO-WTNCMQEWSA-N 272.323 3.533 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1cnc2ccccc2n1 1458441736 GHEAFZWETVFDLU-ZDUSSCGKSA-N 288.354 3.699 30 20 CHED CC(C)CCN(CCC#N)c1nc(C2CCCC2)ns1 1458280386 LQQBNVRPNRMXSA-UHFFFAOYSA-N 292.452 3.962 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C#N)cc2)[C@@H]1C 1527768685 NHNBOJZZYGHARC-LALPHHSUSA-N 257.333 3.540 30 20 CHED CC[C@H]1CCN(C(=O)c2ccccc2SCC#N)[C@@H]1C 1467293975 RNOJCYBTPGNMDC-OLZOCXBDSA-N 288.416 3.563 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 1532171188 FFAUKUFVKFLDFS-BLLLJJGKSA-N 284.403 3.811 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccccc1CC(=O)O 1602855616 VTYMJZCWYJQAJB-RHSMWYFYSA-N 287.403 3.538 30 20 CHED Cc1cc(S[C@@H](C(=O)O)c2ccccc2)ccc1C#N 1600302237 NGWMTYVXCDJPHK-OAHLLOKOSA-N 283.352 3.785 30 20 CHED C[C@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)cc2F)C1 1537497340 FKXDCJMCWVRLFF-LBPRGKRZSA-N 294.329 3.536 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1ccc(C2CC2)cc1 1537926499 LVWFJXPPVICTPI-UHFFFAOYSA-N 292.338 3.697 30 20 CHED CC(C)c1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)no1 1544187297 ARMLDOGMBIKXGD-NSHDSACASA-N 284.315 3.588 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)Nc2cccc(C#N)c2)C1 1622820595 WIHNTIZLDXXGRY-CQSZACIVSA-N 285.391 3.896 30 20 CHED C[C@@H]1C[C@@H](CCNc2ccc(C#N)nn2)CC(C)(C)C1 1642645532 LEDACGNXNLDDCM-CHWSQXEVSA-N 272.396 3.613 30 20 CHED Cc1cc(NCc2cc3c(s2)CCCC3)ncc1C#N 1651395412 VPWCCAKZOMJBKH-UHFFFAOYSA-N 283.400 3.814 30 20 CHED CCCCCCCSCc1cccc(C(=O)O)n1 1595708875 JOLJCQBPCBKIHH-UHFFFAOYSA-N 267.394 3.983 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)c(F)cc1F 1595652840 IJRUOGPKLRVHDP-SNVBAGLBSA-N 292.329 3.991 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)c(O)c2)c(C)c1 1776133311 SUKIDAMUDMSWNX-YVMONPNESA-N 296.322 3.603 30 20 CHED Cc1c(NN=C[C@H](C)Cc2ccccc2)cccc1C(=O)O 1776087612 MDTYOACXACSFPH-CYBMUJFWSA-N 296.370 3.970 30 20 CHED Cc1c(NN=C2C[C@@H](C)CC[C@@H]2C)cccc1C(=O)O 1776087951 GRGNSYYMORNXHW-QWRGUYRKSA-N 274.364 3.917 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@@]1(C)CC 160001754 UWJKZQPEWOPLPS-DZGCQCFKSA-N 263.406 3.699 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1occc1-c1ccccc1 160434374 GHOMNUDZNLLVCW-CYBMUJFWSA-N 282.343 3.568 30 20 CHED CCOc1cccc(C(=O)N(CC)c2ccc(C#N)cc2)c1 151847950 MKQDORBZPRSOAW-UHFFFAOYSA-N 294.354 3.624 30 20 CHED CCc1nc2c(s1)[C@H](NCc1cccc(C#N)c1)CCC2 151382646 CRLWOQUSKGTCOW-CQSZACIVSA-N 297.427 3.744 30 20 CHED N#CCC[C@@H](NC(=O)N1CCC2(CCC2)C1)c1ccccc1 151331894 GQHZPFJLDKLBDP-MRXNPFEDSA-N 297.402 3.617 30 20 CHED C=CCCSCC(=O)N[C@@H](c1ccccc1)C(C)C 151987312 DWTRHLSJTLIMMD-MRXNPFEDSA-N 277.433 3.809 30 20 CHED C[C@H](Nc1noc(-c2ccccc2)n1)c1ccc(C#N)cc1 157039152 XBZNZSAEBFNNOH-LBPRGKRZSA-N 290.326 3.781 30 20 CHED Cc1ccoc1CN(Cc1ccc(C#N)cc1)C(C)C 154380345 RJOWSAUFJBDVCL-UHFFFAOYSA-N 268.360 3.870 30 20 CHED CCn1c(C(=O)O[C@H](C#N)C(C)(C)C)cc2ccccc21 154592939 IDTPQAMQNQPISX-OAHLLOKOSA-N 284.359 3.756 30 20 CHED CC#CCCS[C@H](C)c1nc(-c2ccccc2)no1 154965729 HDUBOZQFCBYNTQ-GFCCVEGCSA-N 272.373 3.944 30 20 CHED Cc1cc(F)ccc1NCc1cc(C#N)ccc1F 20054519 VLJCGSBYELWZQA-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCOC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 259340012 XXGJZIPDIXQLQL-UHFFFAOYSA-N 267.284 3.527 30 20 CHED N#Cc1cccc2c1CCN2Cc1cccc(F)c1Cl 1654793161 DCSYKPKWHGLDQS-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N 224446322 KYSDGPWKHRMENF-KBPBESRZSA-N 291.376 3.553 30 20 CHED CCc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 34979755 DMOJEWZWAOCWQK-AWEZNQCLSA-N 264.372 3.971 30 20 CHED CC[C@@H](O)c1ccc(OCc2cccc(C#N)c2)cc1 35199444 FJJYJVBIABLRQV-QGZVFWFLSA-N 267.328 3.581 30 20 CHED N#Cc1ccccc1CN1CC[C@H]2CCCC[C@@H]2C1 35163411 FSIMXDFYCROOJS-GDBMZVCRSA-N 254.377 3.570 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc2c(s1)CCCCC2 42530356 LCLJUKUQVIMHPK-UHFFFAOYSA-N 290.432 3.781 30 20 CHED Cc1cc([C@H](C)NCc2cc(C#N)ccc2F)c(C)o1 44730552 VACZKYBYHAIMRC-NSHDSACASA-N 272.323 3.758 30 20 CHED Cc1cc(CNc2ccc(OCC#N)cc2)c(C)s1 49685133 ZOSPRJRJLRBWLY-UHFFFAOYSA-N 272.373 3.879 30 20 CHED Cc1cc(C(C)(C)C)ccc1Oc1nccnc1C#N 54380108 MEMRIHPOFKCMCM-UHFFFAOYSA-N 267.332 3.747 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](C2CCCCC2)C1 600101795 YBTSVVOJHNWXPT-HNNXBMFYSA-N 276.424 3.745 30 20 CHED C=CCCCCNCc1cccc(OC)c1OC(F)F 312685141 AWHHZQVFQMGVMY-UHFFFAOYSA-N 285.334 3.743 30 20 CHED N#Cc1cccnc1NCc1cc(Cl)sc1Cl 312751722 IXXBJELSVCPDGT-UHFFFAOYSA-N 284.171 3.934 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1ccc(CC#N)cc1 78312858 SWAKTMYVPYXFBX-ZDUSSCGKSA-N 273.380 3.699 30 20 CHED C[C@H](CCC#N)Sc1nccn1Cc1ccccc1 412984885 RONIAAXCCDTGIL-CYBMUJFWSA-N 271.389 3.716 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cccc(Cl)c1Cl 527841516 YZBXMUMLDPCEBD-UHFFFAOYSA-N 299.201 3.940 30 20 CHED N#C[C@H](/N=C(/O)[C@@H]1CCCSC1)C1CCCCC1 329646788 AGBWKQXRGHCGBM-OLZOCXBDSA-N 266.410 3.559 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C)cc1O 436827459 NVRLGUOIVZUTAI-UHFFFAOYSA-N 295.382 3.919 30 20 CHED N#CCCC1CCN(C(=O)c2cccc(Cl)c2F)CC1 335384572 JOYJYGHEGPHZHO-UHFFFAOYSA-N 294.757 3.635 30 20 CHED C=CCCC[C@@H](C)NC1CC(CNC(=O)OC(C)(C)C)C1 925706769 NQJLLDKCEXHDJT-WLYUNCDWSA-N 296.455 3.624 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(O)c2)c(C)c1 8322416 LGZAGYRHCVPMDW-CMDGGOBGSA-N 252.313 3.905 30 20 CHED N#CCCCSc1nnc(-c2c[nH]c3ccccc23)o1 23005988 CRZSCIFAEFUCBG-UHFFFAOYSA-N 284.344 3.614 30 20 CHED N#C[C@H](C(=O)c1cc2ccccc2s1)c1ccccn1 41493224 RUIKRDUSNNIIMJ-LBPRGKRZSA-N 278.336 3.786 30 20 CHED C=CCN(Cc1cccs1)C(=O)COC1CCCCC1 44339102 CRISMQPZADAGIG-UHFFFAOYSA-N 293.432 3.612 30 20 CHED N#Cc1ccc(NC(=O)N[C@H](c2ccccc2)C2CC2)cc1 45029427 WACJSORIAUGOEK-QGZVFWFLSA-N 291.354 3.831 30 20 CHED N#C[C@@H](C(=O)c1ccccc1)c1ccc2ccccc2n1 47376086 UBTZZSDSRZOAAV-OAHLLOKOSA-N 272.307 3.725 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3ccccc3)C2)c(F)c1 50600483 HLFYJRAHHAINOR-OAHLLOKOSA-N 266.319 3.691 30 20 CHED C=CCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1 54271887 YYCNMAISWWFVPY-UHFFFAOYSA-N 292.382 3.755 30 20 CHED N#Cc1cccc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1 55340631 VHFLIAHPHFIGNB-MRXNPFEDSA-N 283.375 3.745 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)c1cccc(C#N)c1 55769034 SNGCFVVQOXBVNX-UHFFFAOYSA-N 294.354 3.906 30 20 CHED N#Cc1cccc(NC(=O)CSCC2CCCCC2)c1 58488064 CLBDQTUMAOYWRW-UHFFFAOYSA-N 288.416 3.810 30 20 CHED N#CCCCOC(=O)COc1ccccc1-c1ccccc1 58817544 CIPZFXOUZFCXLO-UHFFFAOYSA-N 295.338 3.579 30 20 CHED COc1ccc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)cc1 63875050 YZHLYXSLCKTJJH-DHZHZOJOSA-N 298.386 3.986 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2cccc(O)c2)cc1OC 66746330 KURXRXDMKRWJBK-BQYQJAHWSA-N 298.338 3.614 30 20 CHED N#Cc1ccnc(SCc2ccc(Cl)s2)c1 77907188 MPCSYHAQGLHPPN-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1ccc(C#N)cc1C(F)(F)F 77961965 PAWPNPKOGDFISY-ZYHUDNBSSA-N 298.308 3.947 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CC)c1ccc(C)cc1 78318575 RTACTAKMCWTCCH-MRXNPFEDSA-N 272.392 3.830 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 79804578 UTSVSNAJABZNLE-IAGOWNOFSA-N 284.403 3.731 30 20 CHED N#Cc1cccc(-c2csc([C@H]3CCCO3)n2)c1 87803523 CASZZURXNNFAMP-CYBMUJFWSA-N 256.330 3.533 30 20 CHED COc1ccc(CNc2cccc(SC)c2)cc1C#N 87822254 UELSQROMNBTYBL-UHFFFAOYSA-N 284.384 3.901 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCO[C@]2(CCSC2)C1 90542022 VILRCKQXDYTGPB-HRCADAONSA-N 283.481 3.766 30 20 CHED CN(CCC#N)c1ccc(CN2C[C@H]3CCCC[C@H]3C2)cc1 93442068 RZJWXOZXHCZARG-HDICACEKSA-N 297.446 3.658 30 20 CHED N#Cc1csc(CNc2ccc(-c3cnco3)cc2)c1 93687300 CZKNUAGJORSGMF-UHFFFAOYSA-N 281.340 3.887 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cnccc2C#N)C1 94163108 HOJSPBLPCFAKEA-GDBMZVCRSA-N 277.371 3.644 30 20 CHED Cc1ccc(-n2cnnc2SCCCC#N)cc1Cl 97601609 BEYDRAFXIPUUJO-UHFFFAOYSA-N 292.795 3.625 30 20 CHED O=C(/C=C\c1ccc2nccnc2c1)c1ccsc1 98006517 RETOKEQQFUPVLC-RQOWECAXSA-N 266.325 3.587 30 20 CHED CC(C)c1ccc(C(=O)N(CCC#N)CC2CC2)cc1 103438329 VPQHELUEMSXNOT-UHFFFAOYSA-N 270.376 3.576 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(Cl)c(F)c1 105003360 BHOIBIDCSADYHR-UHFFFAOYSA-N 270.735 3.909 30 20 CHED Cc1cc(C)cc(C[S@](=O)Cc2ccccc2C#N)c1 106183317 JOAFKTFUDNDZLE-HXUWFJFHSA-N 283.396 3.624 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(Cl)s2)cn1 111998105 BKKZDYIKZJIMPK-ONEGZZNKSA-N 266.753 3.514 30 20 CHED CN(C(=O)c1cc2cc(F)ccc2o1)c1cccc(C#N)c1 117630594 WTNPQHIVJUYJCD-UHFFFAOYSA-N 294.285 3.720 30 20 CHED Cc1ccc(OCCN[C@@H](C)c2ccc(C#N)cc2)cc1 118391006 LLKLAWUVFBFEFZ-HNNXBMFYSA-N 280.371 3.596 30 20 CHED C=CCOc1ccc(CNCC(=C)C)cc1Cl 119616698 IUQSKADLARQTIG-UHFFFAOYSA-N 251.757 3.571 30 20 CHED C[C@H]1C[C@H](NCC(C)(C)C#N)c2ccsc2S1 122321955 XETDADZNHXKJHO-ONGXEEELSA-N 266.435 3.813 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccccc1Br 129156394 JASNDSCZLFAMCF-SNVBAGLBSA-N 281.197 3.649 30 20 CHED C[C@H](CC#N)N(C)Cc1c(Cl)ccc2cccnc12 129672793 XFRQFOXDCNBZLR-LLVKDONJSA-N 273.767 3.622 30 20 CHED N#Cc1ccc(NCC2([C@H](O)c3ccccc3)CC2)c(F)c1 129901888 JAJPZGPCMKQHKI-QGZVFWFLSA-N 296.345 3.623 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N(C)c2cccc(C#N)c2)C1(C)C 143574538 UCRMHOWHCNPYHE-CVEARBPZSA-N 282.387 3.759 30 20 CHED CCc1nc2c(s1)[C@@H](NCc1cccc(C#N)c1)CCC2 151382715 CRLWOQUSKGTCOW-AWEZNQCLSA-N 297.427 3.744 30 20 CHED CCC(=O)c1ccc(OCc2cc(C#N)ccc2OC)cc1 152565208 ZOMPNRBEHADJDA-UHFFFAOYSA-N 295.338 3.739 30 20 CHED C(=N/OCc1csc(C2CC2)n1)\c1cccs1 152759098 DIQWDKTVQOXELR-AWNIVKPZSA-N 264.375 3.633 30 20 CHED C=CCC[C@H](NC(=O)NCC(F)(F)F)c1ccccc1 153294627 SEVCUDZVQHACSE-LBPRGKRZSA-N 286.297 3.555 30 20 CHED COc1cc(C#N)ccc1CSc1cccc(C#N)c1 155255347 NBJDOTRFSSZFNY-UHFFFAOYSA-N 280.352 3.731 30 20 CHED N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 157546901 DGSKINHDYFITSG-RTBURBONSA-N 292.382 3.568 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CC[C@H](C)C[C@@H]1C 165302440 SZFDNIMYJMLTMR-RVSPLBMKSA-N 256.393 3.781 30 20 CHED CC1(C)CCN(c2cccc(Br)c2C#N)C1 168570881 GNZDQZFSZYFHCX-UHFFFAOYSA-N 279.181 3.557 30 20 CHED N#Cc1ccc(N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 171216269 XINWUPZWJYPPEP-ZWKOTPCHSA-N 278.355 3.890 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)Cc1ccc(C#N)cc1)C1CC1 171575480 NFMIXHLOVZNIPT-ZIAGYGMSSA-N 284.403 3.526 30 20 CHED C=CCCCSCCOc1ccccc1C(C)=O 172214720 AOQZIIOIVXRRRN-UHFFFAOYSA-N 264.390 3.967 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1cc(C)oc1C 173041901 MKMNPZDPHRSHDI-UHFFFAOYSA-N 297.358 3.842 30 20 CHED CSc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)o1 175766039 YQAFKTJDSAOXNV-SNVBAGLBSA-N 287.340 3.791 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(C#N)cs1)C1CC1 177046324 DCCQBMPDQANISJ-GHMZBOCLSA-N 276.405 3.659 30 20 CHED C[C@@H](c1ccccc1)[S@](=O)CCCC(C)(C)C#N 178097225 MHOZPUBCXFAQAA-SCLBCKFNSA-N 263.406 3.826 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C#N)c1C 178392474 UGOUUXJDAZGROG-DLBZAZTESA-N 290.366 3.917 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)C(C1CC1)C1CC1 178537703 DPNLTCVHEGNFSQ-UHFFFAOYSA-N 283.375 3.519 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccc(C)cc2O)cc1 179484180 MFNKZIXQHXOFMZ-UHFFFAOYSA-N 294.354 3.570 30 20 CHED C=CCCC[C@H](C)NC(=O)NCC1(CCOC)CCCC1 180941246 VARUOBYATAUVRS-HNNXBMFYSA-N 296.455 3.627 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1scnc1C(C)(C)C 182610683 QQCXFWIZWRAUME-LLVKDONJSA-N 280.437 3.915 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@]1(C)C(C)C 185209239 LPUCROAVDNOQJS-GOEBONIOSA-N 277.433 3.945 30 20 CHED CC#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1F 185659432 FLYGYSGLPSKMJL-UHFFFAOYSA-N 287.256 3.977 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1=CCCCCC1 186586824 QSADXRKOCCIPHR-UHFFFAOYSA-N 254.333 3.696 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCCc2cc(C)ccc21 187972946 KUUJTQSCBYDKNV-GOSISDBHSA-N 287.403 3.503 30 20 CHED N#Cc1cccc(S[C@H]2CCc3ccccc3NC2=O)c1 188065993 HGNJUDDGTSMRCU-INIZCTEOSA-N 294.379 3.604 30 20 CHED C=CCC[C@@H](C(=O)N1CCSC[C@@H]1C)c1ccccc1 188179858 WGDWXPXUADEKCZ-GOEBONIOSA-N 289.444 3.700 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](Cc1ccccc1)C1CC1 188433572 LGUNASNBDLUXBX-SJLPKXTDSA-N 271.404 3.726 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)c3ncccc23)CCC1 190017295 XLGDMVVEMCBXHO-UHFFFAOYSA-N 296.370 3.928 30 20 CHED COC[C@H](Cc1ccccc1)N(C)CCCC(C)(C)C#N 191482856 NISDMUUXVRZERI-KRWDZBQOSA-N 288.435 3.506 30 20 CHED C=CCC1(C(=O)Nc2cc(C)nc(C(C)C)n2)CCC1 191886846 MREMCRJZHVQHIE-UHFFFAOYSA-N 273.380 3.593 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1CC1CCCCC1 191998172 GFIUHMAJTCNBJU-MRXNPFEDSA-N 261.409 3.751 30 20 CHED N#CCC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 193039294 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C=C(C)CN1CCC(N[C@@H]2CCCC[C@H]2C(C)C)CC1 482642714 PQCBSTNOYURVHE-ZWKOTPCHSA-N 278.484 3.831 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 483933234 YVHBHRLHKZYYHC-UHFFFAOYSA-N 286.375 3.886 30 20 CHED Cc1nc(N(Cc2cccc(F)c2)C2CC2)ccc1C#N 488128139 RQDZMNZWXIILAY-UHFFFAOYSA-N 281.334 3.570 30 20 CHED C=C(C)CNC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 488577794 XVXUHBWBRZLCQQ-LJQANCHMSA-N 298.430 3.642 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cnc(C)c(Cl)c1Cl 488883905 XQOWABLGAWDWQJ-SNVBAGLBSA-N 299.201 3.878 30 20 CHED C=C[C@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 489465248 SEWCFKRQHSGKTR-LBPRGKRZSA-N 264.438 3.981 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](CCC)C(C)C 490200282 XJRCZEWQBTYRII-INIZCTEOSA-N 277.408 3.909 30 20 CHED C=C(C)CN(C)Cc1cccc(OC(F)(F)F)c1 497152352 XCNPHMLUHKMENR-UHFFFAOYSA-N 259.271 3.593 30 20 CHED C[C@H](C(=O)N(C)CC(C)(C)C#N)c1ccc2ccccc2c1 497330746 CWBVYORAPJWVLE-AWEZNQCLSA-N 294.398 3.951 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 497914218 NOQHJKWMLNDHJY-SQWLQELKSA-N 287.403 3.806 30 20 CHED CC#CCCNC(=O)c1cc2c(s1)CCCCCC2 498602692 LGSVXLJVHLJYPV-UHFFFAOYSA-N 275.417 3.550 30 20 CHED C=CCCCCNC(=O)[C@@H](OC(C)C)c1ccccc1 500763705 PBTOPGYHVIYTNA-INIZCTEOSA-N 275.392 3.625 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 501231515 IBYDOVXIDNSXSP-AWEZNQCLSA-N 272.392 3.579 30 20 CHED C=CCOc1ccccc1-c1nc(CCC(C)C)no1 504278174 ARKWFBQBGSUBAW-UHFFFAOYSA-N 272.348 3.890 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1occ2c1CCC2 505265622 LLRJCSHBILTXQB-UHFFFAOYSA-N 281.355 3.597 30 20 CHED C=CCC(C)(C)C(=O)NCc1oc2ccccc2c1OC 505833181 OCDPFIAJKISMII-UHFFFAOYSA-N 287.359 3.660 30 20 CHED C=CCOc1cccc(CN2CCC[C@H]2c2cccn2C)c1 506016033 CDPYIBBURGOVNW-IBGZPJMESA-N 296.414 3.927 30 20 CHED C[C@H](CC(=O)NCC#Cc1ccccc1)C1CCCCC1 510933019 VQGDKQGYNKSGMC-MRXNPFEDSA-N 283.415 3.761 30 20 CHED C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@H]2CCCC[C@H]12 513107315 FFEOQEXHJGLTJV-KFWWJZLASA-N 291.439 3.536 30 20 CHED N#Cc1cccc(CCNCc2ccc(C(F)F)cc2)c1 518028863 MZWWBKJVEZTVFA-UHFFFAOYSA-N 286.325 3.828 30 20 CHED CC(C)(C)[C@@H]1CCCN1Cc1cc(C#N)ccc1F 525785698 HRUXUVPREWLELR-HNNXBMFYSA-N 260.356 3.708 30 20 CHED N#Cc1cccc(OCCNc2cccc3ccncc23)c1 531522513 KDLDNCVCNMHIBI-UHFFFAOYSA-N 289.338 3.597 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](C)c1cc2ccccc2o1 533877216 ZPWAXINYHIGSFE-UGSOOPFHSA-N 298.386 3.981 30 20 CHED CC[C@H](C)CSCc1cccc(C(=O)OC)c1C#N 534428436 BLALGSNOLQEDRZ-NSHDSACASA-N 277.389 3.624 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 537641366 PBMUJPCYHDAHPU-KCQAQPDRSA-N 255.365 3.724 30 20 CHED Cc1cccc(OC[C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 539498987 ZOYGSLPSSUZUPR-JKSUJKDBSA-N 294.398 3.985 30 20 CHED COc1ccccc1C[C@@H](C)Nc1cc(C#N)ccc1OC 542184926 ARQNAADFSBZGDM-CYBMUJFWSA-N 296.370 3.619 30 20 CHED C=CCCCc1nc(-c2cc(F)cc(F)c2)no1 546294450 QGMDYTFXZNYXJI-UHFFFAOYSA-N 250.248 3.524 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N[C@](C)(C#N)C(C)(C)C 547332277 RIMYHGCGWPSEHO-CRAIPNDOSA-N 286.419 3.700 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C2CC2)C1 549294298 UFJGELQWDQOYPA-HIFRSBDPSA-N 288.439 3.604 30 20 CHED COc1ccc2cc(CN(C)CC(C)(C)C#N)ccc2c1 552316801 MWPPIUSNTZLVOK-UHFFFAOYSA-N 282.387 3.830 30 20 CHED N#Cc1cc(N2CCC[C@H]2Cc2ccccc2Cl)ccn1 553329263 AEDDHLPIQSMOKW-HNNXBMFYSA-N 297.789 3.818 30 20 CHED C=CCC1(c2nc(-c3cccc4nc(C)[nH]c34)no2)CCC1 554832362 NXGOJRJKLDJCQG-UHFFFAOYSA-N 294.358 3.919 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccn(C)c1CC 555037012 YXFPJXDWUBAADH-UHFFFAOYSA-N 288.435 3.796 30 20 CHED C=C(CC)CSCC(=O)N(C)[C@H](C)CC(C)C 557304961 FGHVNCVUOGMFJR-CYBMUJFWSA-N 257.443 3.579 30 20 CHED CCCCc1nc(-c2ccc(OCC3(C#N)CC3)cc2)no1 558319293 MWCKEHJNDKDOGN-UHFFFAOYSA-N 297.358 3.762 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N1CCc2cc(C#N)ccc21 561065147 OTVXFSFDSACKFD-ZFWWWQNUSA-N 282.387 3.664 30 20 CHED C[C@H]1Oc2cc(F)ccc2[C@H]1Nc1cccc(F)c1C#N 563257118 YXESQAQQFHJTDU-ABKXIKBNSA-N 286.281 3.771 30 20 CHED N#Cc1ccccc1OCc1nc(C2CCCCCC2)no1 563536508 MLFQOQIVNFLZOL-UHFFFAOYSA-N 297.358 3.958 30 20 CHED C=C[C@](C)(CC)c1nc([C@@H]2CCN(C)c3ccccc32)no1 568694639 OBYWOMHUWXEFKJ-RDTXWAMCSA-N 297.402 3.895 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)CC(C)(C)C#N 571427707 LZBMJAOWOHKMBS-UHFFFAOYSA-N 270.298 3.687 30 20 CHED CC[C@H](CSc1ccccc1)Nc1cc(C#N)ccn1 573870229 ALXXIYDOWXBUFE-CQSZACIVSA-N 283.400 3.936 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 576407911 FOVCJYIQRLASLQ-HUUCEWRRSA-N 288.435 3.961 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 577935937 ZMPNZAKTMYQONO-MFKMUULPSA-N 298.308 3.774 30 20 CHED C=CC[C@H]1N(c2nnc(CC(C)C)n2C)CCCC1(C)C 579886920 HTHPMXGNNUIRLR-CQSZACIVSA-N 290.455 3.585 30 20 CHED C=CCC[C@@H](C(=O)NCc1occc1C)c1ccccc1 582113425 DXBYNXUUFGUQND-MRXNPFEDSA-N 283.371 3.954 30 20 CHED Cc1cccc(C)c1CC(=O)Nc1ccccc1CC#N 588988039 DVVJSWIUFHHOAK-UHFFFAOYSA-N 278.355 3.551 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN(C)CC(C)(C)C#N 590372198 WFURXBXKHWKUCB-UHFFFAOYSA-N 284.325 3.995 30 20 CHED CC(C)N(C(=O)c1cccc(C#N)n1)[C@H](C)c1ccccc1 590994270 DAGGFAWHVVQQSX-CQSZACIVSA-N 293.370 3.565 30 20 CHED Cc1c(NC(=O)CCCCCC#N)ccc(F)c1F 591124058 WOFHURKNJSZGOH-UHFFFAOYSA-N 266.291 3.686 30 20 CHED Cc1nc(N[C@@H]2CCC[C@H](F)C2)c(Cl)cc1C#N 591956180 VWVRSSILPNPPTG-WDEREUQCSA-N 267.735 3.608 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 593569159 XGFVQTWAZSDOFX-SUMWQHHRSA-N 284.403 3.853 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 594038289 MMWDYMHXJISOII-OLMNPRSZSA-N 298.430 3.679 30 20 CHED Cc1csc(NC(=O)N[C@H](C)CCC2CC2)c1C#N 594106796 XGPUKZWUKCIXHR-SNVBAGLBSA-N 277.393 3.628 30 20 CHED CCCN(C(=O)NCc1ccc(C#N)c(Cl)c1)C(C)C 594247320 DCIUITGBSDLHBR-UHFFFAOYSA-N 293.798 3.542 30 20 CHED N#CCC[C@H](C#N)CNCc1ccc(-c2cccs2)cc1 594710491 IPUWEUYAWJPYFS-OAHLLOKOSA-N 295.411 3.948 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@H](CC#N)C1 595510329 ASRCLSQLUVGJSS-UONOGXRCSA-N 279.428 3.536 30 20 CHED CC(C)(C#N)CNC(=O)c1cc2cc(Cl)ccc2s1 597490034 QVFXEYSBEFLVGS-UHFFFAOYSA-N 292.791 3.834 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](CC#N)C1 597906217 LFFBMQNZKGXKKD-AEFFLSMTSA-N 298.430 3.798 30 20 CHED CCC1(CC)CCCN(C(=O)CCc2ccc(C#N)cc2)C1 598216562 SPMXRPJJTNDINS-UHFFFAOYSA-N 298.430 3.920 30 20 CHED CCN(C(=O)CCSc1ccc(C)c(C)c1)[C@@H](C)C#N 598355332 ZUNRJZBNHUSECK-AWEZNQCLSA-N 290.432 3.546 30 20 CHED C[C@@H](CCC1CCCCC1)NC[C@@H](O)CC(C)(C)C#N 598718436 FCGAWHOSEMSWMK-HOCLYGCPSA-N 280.456 3.626 30 20 CHED C[C@@H]1CCc2sc(NC(=O)CCCF)c(C#N)c2[C@@H]1C 598839900 WQIFPRBJSVZUQY-NXEZZACHSA-N 294.395 3.994 30 20 CHED COC(=O)c1cc(N[C@H](C)c2cccc(C#N)c2)ccc1C 600851503 HSBQEJFIHXVPRF-CYBMUJFWSA-N 294.354 3.826 30 20 CHED C[C@H](CCC#N)CNCc1cc(C2CC2)ccc1F 602675702 WGRKVKHVXRMUDT-GFCCVEGCSA-N 260.356 3.733 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(CC#N)CC1 602828501 GRTWGVJIEGHBEP-UHFFFAOYSA-N 286.423 3.536 30 20 CHED Cc1cc(C(C)(C)C)cc(C)c1Cn1cc(CCC#N)nn1 603160100 FILCIDKFDUWBRC-UHFFFAOYSA-N 296.418 3.697 30 20 CHED CC[C@H](CC(F)(F)F)Nc1ccc(C#N)cc1COC 603341082 XJRNPOWATGLFJK-GFCCVEGCSA-N 286.297 3.848 30 20 CHED CCc1ccc(C(=O)[C@@H](C)Sc2cc(C#N)ccn2)cc1 603727015 YBJDZBUXDAXYJU-GFCCVEGCSA-N 296.395 3.879 30 20 CHED C=CC[C@H](C)NC(=O)N(CCC)Cc1ccc(F)cc1 604900704 CDZVYSIGDBZAJL-ZDUSSCGKSA-N 278.371 3.712 30 20 CHED N#Cc1cnc(N2CCC(c3ccccc3)CC2)c(Cl)c1 608885974 IMWLVUZXIKJPJD-UHFFFAOYSA-N 297.789 3.991 30 20 CHED Cc1cccc(C)c1CSc1ccc(C#N)cn1 609962693 ZHWALXFKUCFQIN-UHFFFAOYSA-N 254.358 3.862 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1noc2c1CCCC2 610270646 HPSCSSWLOKVKKP-UHFFFAOYSA-N 282.343 3.621 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CCCC1 610521518 DLIWTIVEUSLCRV-ABAIWWIYSA-N 290.794 3.847 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1C(F)(F)F 610577557 LIJJUODAVOKJRV-VXGBXAGGSA-N 294.276 3.562 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N2CCc3ccc(C#N)cc32)C1(C)C 611139793 UXQZFCBZBHSBSH-NVXWUHKLSA-N 294.398 3.686 30 20 CHED CC[C@@H](CSC)N[C@@H]1CCCc2cc(C#N)ccc21 611395782 NKBVZOPFSDUDIS-GOEBONIOSA-N 274.433 3.667 30 20 CHED CC[C@H](C)C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 611466641 DXQAYPSYONOKIO-LBPRGKRZSA-N 295.386 3.950 30 20 CHED CC1(C)Cc2cc(CN3CCC[C@](C)(C#N)C3)ccc2O1 612406421 LWVUUCZRVHWDAA-GOSISDBHSA-N 284.403 3.526 30 20 CHED C=CC[C@H](C(=O)N1C[C@@H]2CCCC[C@@H]21)c1ccccc1 616724270 GXWTZEPEGUULAG-ULQDDVLXSA-N 269.388 3.747 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(CC=C)CCCC2)C1 617777447 PGDASPVZUMUODL-OAHLLOKOSA-N 261.409 3.938 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cnc(C(C)(C)C)s2)C1 617785017 BOUCYYWYKWIIQE-LBPRGKRZSA-N 292.448 3.869 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1 617787023 GAEVKDKIFXIZBF-CQSZACIVSA-N 282.387 3.905 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc2oc(C)nc12 640248495 DZQRSBPQJBVZGW-UHFFFAOYSA-N 273.336 3.566 30 20 CHED C=CCCCN1CCO[C@H](c2cccc(F)c2)[C@H]1C 646064367 YCWFFUHLLBIDNF-CJNGLKHVSA-N 263.356 3.554 30 20 CHED C=C[C@H](CC(=O)N1CCC(C2CC2)CC1)c1ccccc1 646761798 FPVUMFSOURMTJB-OAHLLOKOSA-N 283.415 3.995 30 20 CHED C=CCn1c(SCC2=CCCC2)nnc1C1CC1 647114723 MVOLHCCSFZXTRI-UHFFFAOYSA-N 261.394 3.544 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@H]1c1ccccc1C 651077317 JQJZEZQDBHSGIM-CWRNSKLLSA-N 272.392 3.505 30 20 CHED C=C(C)CCNC(=O)N1CCc2ccccc2[C@@H]1CC 656155656 RVMXMUODUJKQKZ-INIZCTEOSA-N 272.392 3.672 30 20 CHED C=CC[C@H]1CCCN([C@H](C)c2cc(C)c(C(=O)O)o2)C1 656759922 LRTCRYOZXQXSDF-OLZOCXBDSA-N 277.364 3.635 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC[C@H]1C[C@H]2CC[C@H]1O2 658035399 MTADTLABANLYGR-ZHCJQAHYSA-N 263.425 3.669 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H](CC)C2CC2)c1 665847139 JGMYQUXWZFRSHO-HNNXBMFYSA-N 274.364 3.562 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ncc(CC)s2)C1 666208394 NGMARBSBSINMJL-LLVKDONJSA-N 279.409 3.526 30 20 CHED C=CCC1(N[C@@H]2CCC[C@H](CC)C2)CCOCC1 668552551 OMCCOQBWGKTKDY-LSDHHAIUSA-N 251.414 3.670 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1(C)CCC(F)(F)CC1 680296597 OQRIDXYNGXTXSY-LBPRGKRZSA-N 288.382 3.998 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@H]2CCC[C@@H]21 685552143 VVKHBYQVEWUONJ-HIFRSBDPSA-N 286.423 3.501 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](C)[C@H](CO)C1 700436498 ITHWQAHJYBOETI-HOTGVXAUSA-N 283.456 3.604 30 20 CHED C#CCCCNC1CCC(C)(c2ccccc2)CC1 705508120 ZJCFHHSFUADHMK-UHFFFAOYSA-N 255.405 3.890 30 20 CHED N#CCC1(CN2CCC[C@H](C3CCCCC3)C2)CC1 708224165 TZUZBGGAZMXMCW-INIZCTEOSA-N 260.425 3.973 30 20 CHED C=C(Cl)CN1CCCc2cc(Br)ccc21 713332351 BBYRPCXJGPHUMK-UHFFFAOYSA-N 286.600 3.954 30 20 CHED N#Cc1cc(F)cc(NCc2c(O)cccc2Cl)c1 718616678 AAHIKXFXOASGKD-UHFFFAOYSA-N 276.698 3.668 30 20 CHED C[C@H](C=NNc1cnc2ccccc2n1)c1ccccc1 727256866 XFAQZFLSEYDYPL-CYBMUJFWSA-N 276.343 3.831 30 20 CHED CCCC[C@@H]1CCCC1=NNC(=S)NCC1CCC1 727652433 IPJVLBYFDIOCOS-CYBMUJFWSA-N 281.469 3.597 30 20 CHED C=CC[C@@H](C)C(C)=NNc1nc(-c2ccccc2)no1 727778872 RWNSSKAHKLFOTE-LLVKDONJSA-N 270.336 3.737 30 20 CHED CCCC[C@@H](CC)CNC(=S)N(CCC#N)CC1CC1 728790728 WKFPQPUWWOUMPL-CQSZACIVSA-N 295.496 3.703 30 20 CHED CCc1ccc(C=NNCCCOc2ccccc2)cc1 729147791 KPGCOAARGMYEMG-UHFFFAOYSA-N 282.387 3.642 30 20 CHED Cc1cccc2c1CCN(Cc1ccc(F)cc1C#N)C2 729480392 XXEYJPILDKIMKS-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CC(CSC(C)(C)C)=NNc1ccc(F)cn1 731318580 LJNHCFNDWABJJS-UHFFFAOYSA-N 255.362 3.540 30 20 CHED CC(C)C(C)(C)NCc1ccc(N(C)CCC#N)cc1 732229661 USAINAOFNUITQR-UHFFFAOYSA-N 273.424 3.561 30 20 CHED C#CCN(CC)C(=O)[C@H](C)c1c(Cl)cccc1Cl 733099677 PVBKSTGHYDAJLJ-SNVBAGLBSA-N 284.186 3.579 30 20 CHED C=C(Cl)COC(=O)c1ccc(CN(CC)CCC)cc1 741337246 DYMVFGSDUKVMTC-UHFFFAOYSA-N 295.810 3.828 30 20 CHED COc1cccc(NN=Cc2ccc(OC)c(Cl)c2)c1 741463029 ZYDMSWDUORYFPK-UHFFFAOYSA-N 290.750 3.803 30 20 CHED C=CCN(C(=O)[C@@H]1CCSc2ccccc21)C(C)C 741898647 GAVBIRFAVLQCTR-CQSZACIVSA-N 275.417 3.689 30 20 CHED CCCCCC[C@H](C)C(=O)N[C@H](C#N)CC(C)C 742061738 ISKXWANCZKQVEH-KBPBESRZSA-N 252.402 3.647 30 20 CHED Cc1ccoc1C=NNc1nccc2sccc12 743437120 CAWUZBNBKLTQIR-UHFFFAOYSA-N 257.318 3.644 30 20 CHED CC(C)CCN(CCC#N)CCCOc1ccc(C#N)cc1 744405196 GOOBHMHHCVUUOX-UHFFFAOYSA-N 299.418 3.589 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)[C@H](C)c1ccccc1 746366837 RNVAFGRKMIXMSA-LBPRGKRZSA-N 282.343 3.976 30 20 CHED COCc1cccc(CON=Cc2ccc(F)cc2)c1 746559177 VZQWFGOMTGYDDP-UHFFFAOYSA-N 273.307 3.523 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)c2ccco2)n1 747198545 ZBWUQBHMCBBPCC-WDEREUQCSA-N 288.372 3.839 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1cc(C)ccc1O 747643049 ZYSYHYZSNCWOID-UHFFFAOYSA-N 294.276 3.954 30 20 CHED C=CCCC(=NNc1oc(CC(C)C)nc1C#N)C1CC1 747753446 HSPJZBIFKIBEFH-UHFFFAOYSA-N 286.379 3.889 30 20 CHED Cc1nsc(N(C)C(=O)C[C@@H](C)CC(C)(C)C)c1C#N 748236609 WQEZGHDCFGDLAJ-SNVBAGLBSA-N 293.436 3.748 30 20 CHED CCCCCCCCCNC(=O)C1=C(C)C(C)(C)OC1=O 748559397 LFJGSPCGRPPKNL-UHFFFAOYSA-N 295.423 3.505 30 20 CHED O=C(/C=C/C=C/c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 749589391 KSZKWWOXJUBXCM-KBXRYBNXSA-N 295.294 3.753 30 20 CHED N#Cc1ccc(C(=O)Oc2cccc3c2CCCC3)s1 750742984 SEZQPYBGYXWARC-UHFFFAOYSA-N 283.352 3.718 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2)nc1Cl 752972655 CFQDAAXUSATOAW-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Fc1ccc(NN=Cc2c[nH]nc2-c2ccccc2F)cc1 755471278 FYOJQHXJXBWVBA-UHFFFAOYSA-N 298.296 3.801 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)OCC 756538669 OQAKLHMMNOAJLR-CJNGLKHVSA-N 287.359 3.534 30 20 CHED CC[C@@H]1CC(=NNc2nccc3sccc23)CCO1 756833385 FWLDBNWRVNWRAA-LLVKDONJSA-N 275.377 3.653 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2cc(F)ccc2F)c1 757474214 KWAZWGZDEFHWQC-QPJJXVBHSA-N 299.276 3.763 30 20 CHED C#CC[C@H](NC(=O)c1cccc(C)c1F)c1ccccc1 757581312 XAOJMTULNASLGD-INIZCTEOSA-N 281.330 3.629 30 20 CHED CCn1c(-c2cnc(Cl)c(C)c2)nc2cc(C#N)ccc21 758486875 RJTYKFUQTHNVDF-UHFFFAOYSA-N 296.761 3.952 30 20 CHED C#CCCCOC(=O)/C(C)=C\c1cccc(Cl)c1 759252616 SYTBYZSIJRAUCY-BENRWUELSA-N 262.736 3.700 30 20 CHED CCC(COC)=NNc1c(Cl)cccc1Cl 763188565 RYYMQAUNVCQLPW-UHFFFAOYSA-N 261.152 3.818 30 20 CHED CC(C)(C#N)CCCCSC[C@@H]1CC2(CCC2)C(=O)O1 766821540 NYFAMISYTTYZSN-ZDUSSCGKSA-N 295.448 3.925 30 20 CHED C/C=C(/C=C\C(=O)OCc1cc(F)ccc1C#N)CC 767660619 CRCCSMFDGOETQU-MLJMVLIVSA-N 273.307 3.653 30 20 CHED C[C@H](CCC1CC1)NCc1ccc(O[C@H](C)C#N)cc1 768952150 KXSQYEDJOKRNPB-ZIAGYGMSSA-N 272.392 3.646 30 20 CHED Cn1cc(C=NNc2ccccc2)c(-c2ccccc2)n1 771553218 MBGQQZJSAXYFBW-UHFFFAOYSA-N 276.343 3.533 30 20 CHED O=C(/C=C/c1cscc1Cl)c1ccc(O)cc1O 771858719 KOBXYRGTSNRHQZ-DAFODLJHSA-N 280.732 3.709 30 20 CHED CC(C)c1nccnc1NN=CCCc1ccccc1 773090827 KNRKNCRMFSVDHJ-UHFFFAOYSA-N 268.364 3.631 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccc(N(C)C)cc1 773092050 XNOKSWCYHVXUES-UHFFFAOYSA-N 297.406 3.502 30 20 CHED CC(Cc1ccc(Cl)cc1)=NOCc1cccnc1 773208698 NQLSSZKJWFTGGB-UHFFFAOYSA-N 274.751 3.870 30 20 CHED CC(C)Cn1ccc2c(C(=O)OC[C@H](C)C#N)cccc21 774141385 CEXSLIQHWPTJSY-CYBMUJFWSA-N 284.359 3.614 30 20 CHED Cc1ccc([C@H](C)NCCCOc2ccc(C#N)cc2)cc1 774842716 CSFBHPKKSRSHCE-INIZCTEOSA-N 294.398 3.986 30 20 CHED C#CC[C@H](N[C@@H]1C[C@H](OCC)C12CCC2)c1ccccc1 776170975 LVYCZYQCOQIKTL-KSZLIROESA-N 283.415 3.688 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(Cl)nc1 776190413 VSXFFTPYXXRPRU-HWKANZROSA-N 272.735 3.589 30 20 CHED Cc1ccc(CCCC(=O)OCCC(C)(C)C#N)s1 776392664 UUXSCLCWKDWPDK-UHFFFAOYSA-N 279.405 3.862 30 20 CHED CC(=NOC1CCCCC1)c1cnn(-c2ccccn2)c1C 777459362 OJVWHFQFLZGGMZ-UHFFFAOYSA-N 298.390 3.649 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)[C@H]1CCCOC1 779782919 JTHMNANYDFCWQE-NSHDSACASA-N 286.297 3.920 30 20 CHED COc1ccc(NN=C(C)CCc2ccsc2)nc1 780268021 OQPVEWXFKBKZOD-UHFFFAOYSA-N 275.377 3.572 30 20 CHED CCCNN=Cc1ccc(-c2ccccc2)cc1OC 781123343 UZKBWDJTYQVPED-UHFFFAOYSA-N 268.360 3.696 30 20 CHED CC(CCc1cccc(C)c1)=NNc1ccnc(F)c1 781131726 BDVLIIMZHAASDJ-UHFFFAOYSA-N 271.339 3.950 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1cc(C)ccc1OC 781620473 UWCSREAPRDVLKO-AWEZNQCLSA-N 274.360 3.801 30 20 CHED C#CCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782524425 RFCCYJREOQSHRF-HNNXBMFYSA-N 274.367 3.899 30 20 CHED C=C(Br)CN[C@H]1CC[C@](C)(c2ccccc2)C1 783238849 GQDPKJXPFXUNIC-GJZGRUSLSA-N 294.236 3.995 30 20 CHED CC1(C)C[C@H](NN=C2CCC[C@@H](C(F)(F)F)C2)CCO1 783524824 SMLIVPVXUKOUOT-ZYHUDNBSSA-N 292.345 3.642 30 20 CHED Cc1ccsc1/C=C1/COc2c(F)ccc(F)c2C1=O 783711764 KDXYFBVBPYHHRC-TWGQIWQCSA-N 292.306 3.993 30 20 CHED C=C(Cl)CNCc1ccc(C(F)(F)F)cc1C 785539531 TZBLUASGSCLDRJ-UHFFFAOYSA-N 263.690 3.856 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1ccc(F)c(Cl)c1 785761675 LZNAMQAVZSLLKU-OAHLLOKOSA-N 298.741 3.807 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 786639059 RZKQSYYDEUURIR-HNNXBMFYSA-N 277.320 3.549 30 20 CHED C#CCCCCCC(=O)N(CCC#N)C(C)(C)CC 787938884 WBZSVJHVLYBBPR-UHFFFAOYSA-N 262.397 3.501 30 20 CHED N#CCC1(OC(=O)c2ccc3ccccc3c2)CCC1 788145252 OXKBBFCOGQGCMI-UHFFFAOYSA-N 265.312 3.833 30 20 CHED CC[C@@H](C)NN=Cc1c(-c2ccccc2)nc2sccn12 790184492 WNOYXCZXAYTMDG-GFCCVEGCSA-N 298.415 3.785 30 20 CHED CC(C)Cc1ccccc1C(=O)NCC#Cc1ccccc1 790249891 LUHIWEWHCOQSOP-UHFFFAOYSA-N 291.394 3.667 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](CC)c1cc(F)ccc1F 791066933 GZKTYMFRJCFWPS-IUODEOHRSA-N 294.345 3.517 30 20 CHED Cc1csc(C(=O)OCc2cccc(C#N)c2)c1Cl 791596832 LSEGVBHZSKBDNH-UHFFFAOYSA-N 291.759 3.939 30 20 CHED S=C(NN=C1CCC2(CC1)CC2)Nc1ccccc1 792627487 SEPGMZZIKUXJTD-UHFFFAOYSA-N 273.405 3.683 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 793074373 GNSQZIOVIVQJNA-IRXDYDNUSA-N 298.430 3.604 30 20 CHED CC[C@H](C)CON=Cc1cnc(-c2ccccc2)nc1 793159404 OQHPGDPHHYSOOW-ZDUSSCGKSA-N 269.348 3.540 30 20 CHED Clc1cccc(NN=Cc2ccsc2Cl)n1 793164126 SMJCQZILYQLREX-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNc1ncncc1F 793209882 BCNVWUQQJNPTBL-GFCCVEGCSA-N 264.348 3.786 30 20 CHED C#CC[C@H](NCc1oc(CCC)nc1C)c1ccccc1 794464316 YVUINVUPZXNYCP-INIZCTEOSA-N 282.387 3.790 30 20 CHED FCC[C@H]1CCCC1=NNc1cnnc2ccccc12 794912712 LUKFHJUMMMOQOT-LLVKDONJSA-N 272.327 3.557 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1ccc(F)c(F)c1 794935310 XVQORYLWHPWIAR-GQCTYLIASA-N 276.286 3.638 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1ccc(C#N)cc1 796335911 OBEKTCPGFZTXPJ-INIZCTEOSA-N 259.349 3.818 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccnc(Cl)c1 796594024 PQGRRZUCZHCWHS-SNVBAGLBSA-N 289.741 3.597 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H]1CCc2c(Cl)cccc21 797002661 QDGKCNBDVFJKEB-DZGCQCFKSA-N 277.751 3.810 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1cccc(Cl)c1 798375694 LKFUTQBGCVVVJW-NSHDSACASA-N 268.813 3.981 30 20 CHED C#C[C@H](Nc1nc(C(F)F)nc2ccccc12)C(C)C 798409081 PPPHNJVJJALIHY-NSHDSACASA-N 275.302 3.637 30 20 CHED Cc1ccc(-c2nc(C3CCCC3)no2)cc1C#N 799761815 PAXMDJRVIRZBOB-UHFFFAOYSA-N 253.305 3.574 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2nc(-c3ccccc3)no2)C1 800811686 FJYOSDWPUURRLU-VXGBXAGGSA-N 270.336 3.571 30 20 CHED C#Cc1cc(F)c(NCc2csc(C3CC3)n2)c(F)c1 802745361 VFIIHUUDHHPZHY-UHFFFAOYSA-N 290.338 3.892 30 20 CHED Cc1ccc(-c2ccc(C)c(NCCO[C@@H](C)C#N)c2)o1 802747096 ZWSPLMVPTKWUKJ-AWEZNQCLSA-N 284.359 3.904 30 20 CHED C=CCCCCCCNC(=O)N(C)C[C@H](C)CC 806005209 DBHZVGWEZYODOG-CQSZACIVSA-N 254.418 3.810 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cnccc1OC(C)C 809240394 QWJHUCQLZRSUCV-INIZCTEOSA-N 277.364 3.514 30 20 CHED C#CCC(C)(C)c1nc(-c2cnc3ccccc3c2)no1 809296546 LYPMQNNYSPNRHX-UHFFFAOYSA-N 277.327 3.586 30 20 CHED C#CCCCc1nc(-c2ccc(C)c(N3CCCC3)c2)no1 809488281 HADIZXAJIWRPRC-UHFFFAOYSA-N 295.386 3.601 30 20 CHED Fc1ccc(C(C[C@H]2CCCO2)=NOC/C=C\Cl)cc1 811669504 PZIHRMUPJIEANN-YXGXFSCHSA-N 297.757 3.868 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 812007084 KLGQFWOFSKXNJB-IUODEOHRSA-N 290.382 3.576 30 20 CHED C#CCON=Cc1ccc(-c2cccs2)cc1F 812236566 RZMAMNJVARYTMD-UHFFFAOYSA-N 259.305 3.538 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@]1(C#N)CC1(C)C 813303555 PQOBBKXOWVDBQO-MRDWYFFCSA-N 288.778 3.552 30 20 CHED C#Cc1ccc(CNC[C@H]2CCCCC(F)(F)C2)cc1 814170144 SDIMIABOGGAROD-INIZCTEOSA-N 277.358 3.973 30 20 CHED C(=NOCC1CC1)c1csc(-c2cccs2)n1 814243509 ACVKRSRYWRTBOY-UHFFFAOYSA-N 264.375 3.632 30 20 CHED CCO[C@H]1CC(=NOCCC2CC2)C12CCCC2 814245644 AZRNUUBGRDQGSY-AWEZNQCLSA-N 251.370 3.528 30 20 CHED CCCCNN=C1CC(c2cc(F)cc(F)c2)C1 814806120 WXNYMEDXUZRYNI-UHFFFAOYSA-N 252.308 3.588 30 20 CHED COc1cc(C)nc(NN=C2CC[C@@H](c3ccccc3)C2)n1 814862995 UNFZHGHBCXKVEH-CQSZACIVSA-N 296.374 3.529 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1cccc(Cl)n1 814939668 YFJLPTYRRLHZSC-SNVBAGLBSA-N 276.771 3.853 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC2CCC1CC2)c1nc2ccccc2o1 815915091 CSCVDECYVPJOMB-NWINJMCUSA-N 294.354 3.830 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H]1CC[C@H](C#N)C1 819633438 HGDQPYKQZASASO-SQIFRAFTSA-N 288.778 3.552 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnn(C)c1Cl 822697188 IYUSIMMSOGDXIE-UHFFFAOYSA-N 299.846 3.896 30 20 CHED C#CCN(CC)C(=O)Nc1cc(SC)ccc1Cl 824477489 BOLXEQYCDZKHFM-UHFFFAOYSA-N 282.796 3.549 30 20 CHED C#CCCCNC(=O)c1c(Cl)cc(Cl)cc1Cl 826603076 COAKTKGQYFPUIW-UHFFFAOYSA-N 290.577 3.790 30 20 CHED CC(=NNc1cncc(Cl)n1)[C@@H]1CCCC[C@H]1C 834937975 CAANQLLQLXMFJA-MWLCHTKSSA-N 266.776 3.744 30 20 CHED Cc1cc(Br)c(C=NNC2CCCC2)s1 834954884 XFKXRTABGBEDMO-UHFFFAOYSA-N 287.226 3.685 30 20 CHED CO[C@@H]1CC(=NNc2ccc(C#N)c(Cl)c2)C12CCC2 834968926 ORPOOLQWWPFPKD-CQSZACIVSA-N 289.766 3.569 30 20 CHED Cc1ccc(C(=O)OCc2cccc(C#N)c2)c(C(C)C)n1 835146846 KGFGZSAKQQINAO-UHFFFAOYSA-N 294.354 3.742 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCC1(C#N)CCCC1 835283174 SMTRMXVHCPAFTA-SNVBAGLBSA-N 277.286 3.592 30 20 CHED C=CC(C)(C)COC(=O)CCC(=O)c1ccc(C)s1 835723787 AMKWWWMCUUFSKA-UHFFFAOYSA-N 280.389 3.775 30 20 CHED C=C(CC)CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1 836549943 JYEBSGYDPFJSDR-UHFFFAOYSA-N 288.178 3.663 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)CCCCC(C)C 837535649 GFDQBIHXXPESCH-UHFFFAOYSA-N 277.330 3.617 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C(F)(F)c2ccc(F)cc2)C1 839048251 MGIGMQFYGYANFU-GWCFXTLKSA-N 297.276 3.543 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C[C@@H]2CCc3ccccc32)C1 839050460 LNDXYVPYJUVPAZ-VNQPRFMTSA-N 283.371 3.732 30 20 CHED C[C@H](C#N)OCCN1CC2(CCCC2)[C@@H]1c1ccccc1 839127809 YMGLXGKMZQHMNK-WBVHZDCISA-N 284.403 3.532 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)/C(=C\C)CC 839891388 OBBVEVFDTYWYKG-DNBBOTNYSA-N 257.377 3.646 30 20 CHED C#C[C@H](OC(=O)C(C)C)c1cccc(C(F)(F)F)c1 842410082 VBFMZLSVCDGTKV-LBPRGKRZSA-N 270.250 3.579 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Cl)nc(C2CC2)c1 847016707 NVZVNEUPUOJBIA-GFCCVEGCSA-N 278.783 3.697 30 20 CHED CC(C)(C)c1cccc(C(=O)OCCCCC#N)c1 847646340 GHWXIIGGFNBMHD-UHFFFAOYSA-N 259.349 3.835 30 20 CHED Cc1cc(C(=O)OCCCCC#N)c(-n2cccc2)s1 850152876 LSPUONPSHFIYHU-UHFFFAOYSA-N 288.372 3.698 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1coc(CCC)n1 851145455 XEXRKROKYCQRLF-OCCSQVGLSA-N 277.364 3.919 30 20 CHED CC(C)c1cccc(C=NN[C@@H](C)c2ccncc2)c1 853359243 KYVNJCHGUPUDOI-AWEZNQCLSA-N 267.376 3.890 30 20 CHED FC1(F)CCC(=NNc2ccnc(Cl)c2)CC1 853396765 FRXPRTRKGGTKKO-UHFFFAOYSA-N 259.687 3.712 30 20 CHED C[C@H](ON=CC1CC1)c1ncc(-c2ccccc2)o1 853734919 KGWKUWNSBJAOKT-NSHDSACASA-N 256.305 3.815 30 20 CHED C#CCCCCC(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 855550463 MSQSMSAXOBADDT-QGZVFWFLSA-N 285.387 3.579 30 20 CHED C=CCC1(C(=O)OCc2scnc2Cl)CCC1 857059677 WYUUEAIXFMUHNS-UHFFFAOYSA-N 271.769 3.586 30 20 CHED C=CCCCCCCCNC(=O)c1c(Cl)cnn1CC 857260722 JOGRASSSDABCQI-UHFFFAOYSA-N 297.830 3.813 30 20 CHED C[C@H](CC(=O)O[C@@H](C#N)C1CCCCC1)c1ccco1 859813832 OIMLEAIJUYBKJY-DOMZBBRYSA-N 275.348 3.789 30 20 CHED C=CCCCCCCNC(=O)c1conc1C(C)C 861696713 FPOTZXUUDXDKBU-UHFFFAOYSA-N 264.369 3.664 30 20 CHED C#CC[C@@H](CCOC)NC(=O)[C@H](CC)CC1CCCCC1 863786515 BOOMUDIVVVKCGR-SJORKVTESA-N 293.451 3.528 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C(F)F)cc2)CC1 864252681 DQMVWLWFLHLVNJ-UHFFFAOYSA-N 266.291 3.808 30 20 CHED COCc1cc(N[C@@H](C)c2ccc(C#N)cc2)ccc1OC 866499998 RWELMTSDORHTMT-ZDUSSCGKSA-N 296.370 3.886 30 20 CHED C=CCc1ccc(OC(=O)C2(C)CC(F)(F)C2)c(OC)c1 875045143 XNDOVPJHYLWTQY-UHFFFAOYSA-N 296.313 3.765 30 20 CHED C=CC(C)(C)CC(=O)N1CC(C)(C)[C@H]1c1cccnc1 880088046 XGOPKDJHEUQIRL-OAHLLOKOSA-N 272.392 3.593 30 20 CHED C=C1CCC(c2nc(CCC3CCOCC3)no2)CC1 896340927 ODGJDPQMRVCDSU-UHFFFAOYSA-N 276.380 3.643 30 20 CHED C=C1CCC(C(=O)Nc2ccc(O)c(Cl)c2)CC1 901163267 TUDCTQFKTNLZCJ-UHFFFAOYSA-N 265.740 3.731 30 20 CHED C[C@@H]1/C(=C/c2ccc(OCC3CC3)cc2)C(=O)c2nccn21 901564785 HMQIJHSKERSRTR-YUSFRKCESA-N 294.354 3.513 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C(=O)O)c1ccc(OC)cc1 901649074 RRGAJVLTHPEFCR-XJKSGUPXSA-N 291.391 3.545 30 20 CHED COc1ccc(C=O)cc1OCCCCC1(C#N)CCC1 902684601 KVKJEQMCLGCLAX-UHFFFAOYSA-N 287.359 3.751 30 20 CHED C=CCOc1ccc(Cc2nc(C3CCCC3)no2)cc1 904353144 HZEHDBSRWXWLFL-UHFFFAOYSA-N 284.359 3.883 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1N=S(C)(C)=O 905879266 QGHOTQBGPICBHS-LBPRGKRZSA-N 294.420 3.587 30 20 CHED Cc1ccc2c(CC(=O)OCCCCC#N)coc2c1C 914615721 OMHVFOOYCWNRIQ-UHFFFAOYSA-N 285.343 3.829 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1ccsc1 915980698 ZUUZKZKYBKBOTJ-AUWJEWJLSA-N 251.738 3.726 30 20 CHED COc1cccc(/C=C\C(=O)c2ccncc2)c1OC(C)C 916136252 JZCKEJKOWXEEQW-FPLPWBNLSA-N 297.354 3.774 30 20 CHED Fc1ccc(C=NNc2ccc(F)cc2F)c(F)c1 916247962 AIOQTFKLJOWMEU-UHFFFAOYSA-N 268.213 3.689 30 20 CHED COc1cccc(/C=N/[C@@H](C)Cc2ccccc2C)c1O 917556627 FZYWAZGPCLSUAT-BXUJETTOSA-N 283.371 3.759 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 917556868 QCRVNFXAOOFULT-CUVQKFRPSA-N 285.343 3.736 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCCCN1C(=O)C(C)C 919600478 HYXIQXKUBZPNHV-HNNXBMFYSA-N 297.439 3.537 30 20 CHED C=C(Br)CN1CCC[C@H]1Cc1ccc(F)cc1 919648826 VPIFZVACFAFTKY-AWEZNQCLSA-N 298.199 3.741 30 20 CHED CCOc1ccc(C=NNc2cccc(F)c2)cc1 920383274 CKAMIFHWIHPCKA-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C[C@H](CNCc1cccc(C#N)c1)c1cccc(F)c1 921069190 IEACTUZIHFATSB-CYBMUJFWSA-N 268.335 3.591 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC)c1cc(F)ccc1OC 925810076 VGBPRMIWSOMRDO-CQSZACIVSA-N 294.370 3.503 30 20 CHED C=CCCN[C@H](C)c1ncc(C(F)(F)F)cc1Cl 926685029 JYKODQITCRPFIR-MRVPVSSYSA-N 278.705 3.981 30 20 CHED C[C@H](NCCCCC1(C#N)CCC1)c1cncc(F)c1 930694579 BYQAFOQZWLJFMP-ZDUSSCGKSA-N 275.371 3.735 30 20 CHED CCCCCCCN1CCC(c2ncco2)CC1 931448267 BOYLULLUUALDTN-UHFFFAOYSA-N 250.386 3.824 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](c1ccncc1)C1CC1 934697538 JVIRCGMUZIHWHB-GOSISDBHSA-N 277.371 3.503 30 20 CHED CN(CCCc1ccccc1)C(=O)CC#Cc1ccccc1 1116395983 OBEHYGGIXDSJHC-UHFFFAOYSA-N 291.394 3.519 30 20 CHED CN(C)c1cccc(Cl)c1C=NNc1cccc(C#N)c1 1118516914 OLTZJHWMLXOFDS-UHFFFAOYSA-N 298.777 3.724 30 20 CHED CCCCCCCCCC(=O)N(C)Cc1ccn(C)n1 1121184408 IUABJQCYUAUXDY-UHFFFAOYSA-N 279.428 3.519 30 20 CHED CCc1ccc([C@H](C)C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 1129609684 YPFRNGFSRPTGOA-YSVLISHTSA-N 285.387 3.978 30 20 CHED CN(c1cccc(C#N)n1)[C@H]1CCC[C@H]1c1ccccc1 1186673219 VVTHFWXIECXPJO-IRXDYDNUSA-N 277.371 3.726 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)CCC2CC2)c1 1206305941 QVEIPHXXYFRBAG-LBPRGKRZSA-N 271.364 3.567 30 20 CHED COc1cc(CNc2ccc(OCC#N)cc2)ccc1C 1256043106 UTFYTFXKGQJNBB-UHFFFAOYSA-N 282.343 3.518 30 20 CHED C[C@H](N[C@H](C)CCC#N)c1ccc(F)cc1OC(F)F 1261360146 BFPMEEDBTCDPJA-ZJUUUORDSA-N 286.297 3.770 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 1263707716 RKPXHSWSVPVRNC-CYBMUJFWSA-N 284.359 3.500 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cccc2ccccc12 1325619352 CVXAZDODSDZOEO-UKRRQHHQSA-N 255.361 3.691 30 20 CHED Cc1ccc(NC(=O)CCCC#N)c(Cl)c1Cl 1326031602 IJBVLTGAVDOVHH-UHFFFAOYSA-N 271.147 3.934 30 20 CHED C[C@@H]1CCC[C@H](c2nnc(-c3cccc(C#N)c3)o2)C1 1328429384 MWRXCHMARSUGTR-YPMHNXCESA-N 267.332 3.902 30 20 CHED CCN(C(=O)c1ccc(-c2cccs2)s1)[C@@H](C)C#N 1328827591 MACKRBYXETVFAM-JTQLQIEISA-N 290.413 3.851 30 20 CHED Cc1cc(C(=O)Nc2cc(F)cc(C#N)c2)c(C)n1C1CC1 1329978756 UXZKXIZZBYVMGV-UHFFFAOYSA-N 297.333 3.703 30 20 CHED C=C(C)CCC(=O)N(CCC(F)(F)F)CC(F)(F)F 1335929221 BCEUTSVQPRIRKM-UHFFFAOYSA-N 291.235 3.686 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc(Cl)ccc1Cl 1338113625 VITQCEIEWYAYGT-MWLCHTKSSA-N 274.191 3.845 30 20 CHED CSc1ccc(/C=C/C(=O)OCC(C)(C)C#N)s1 1344700032 YZGGIHXNWFZHJX-GQCTYLIASA-N 281.402 3.576 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1345432880 LAMSOSFHQJEBTG-LKFCYVNXSA-N 282.746 3.596 30 20 CHED C=C[C@@H](Cc1nnc(-c2cccnc2)o1)c1ccccc1 1345635477 BTOQKZXPOHNOTR-ZDUSSCGKSA-N 277.327 3.644 30 20 CHED C#Cc1ccc(NC(=O)N2CCC[C@H]2CCC=C)cc1 1345919321 CFHHZZGRBGEISD-MRXNPFEDSA-N 268.360 3.630 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C)nc2Cl)C1 1346544593 QUWCUOPEMJYALR-GFCCVEGCSA-N 293.798 3.863 30 20 CHED CS[C@@H]1CC[C@H](N(C)C(=O)CC2(C#N)CCCCC2)C1 1347579777 YMRHJMJMPTZPGY-UONOGXRCSA-N 294.464 3.593 30 20 CHED C=CCC1(NC(=O)[C@@H](C)OC2CCCCC2)CCCC1 1351094277 CBSRZJAHELXQJY-CQSZACIVSA-N 279.424 3.729 30 20 CHED C#Cc1ccc(NC(=O)c2cnn(C3CCCC3)c2C)cc1 1351914721 CHUKGEUEUINXHW-UHFFFAOYSA-N 293.370 3.540 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C(C)C)cc2)n1 1460435022 IKYKBKCLZGSHHO-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)Nc2cc(F)cc(C#N)c2)C1 1467160869 STIQVZLZPYNXRO-NHYWBVRUSA-N 289.354 3.740 30 20 CHED N#Cc1cccc([C@@H](O)CN2CCC[C@H]2C2CCCCC2)c1 1473112041 YGYHCNWVQMLXKC-OALUTQOASA-N 298.430 3.636 30 20 CHED CC(C)Oc1ccc(C(=O)O[C@H](CC#N)c2ccco2)cc1 1518001455 MTISRSFPMPTCQQ-MRXNPFEDSA-N 299.326 3.879 30 20 CHED C=C(C)CCC(=O)OC[C@H]1CCO[C@@H]1c1ccccc1 1518160827 PSFATZCSISZLCG-NVXWUHKLSA-N 274.360 3.664 30 20 CHED Cc1ccc(COC(=O)c2ccc(C)c(C#N)c2)cc1F 1521602237 XFYPZVYCGDCNJW-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=C(C)CCC(=O)OCc1csc(-c2ccccn2)n1 1524585040 JCHOONKFTBQZLZ-UHFFFAOYSA-N 288.372 3.605 30 20 CHED COc1ccc(NC(=O)c2cc(C)c(F)c(C)c2)cc1C#N 1536116841 MEQLKSAVRDGUCD-UHFFFAOYSA-N 298.317 3.575 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C)[C@H]2C)cc1C#N 1584088116 XIMPNTQBHRJCFH-NORZTCDRSA-N 271.360 3.848 30 20 CHED C=CC[C@H](Nc1ccccc1CCC(F)(F)F)C(=O)O 1588750931 IDTVOWOCUCQFPC-LBPRGKRZSA-N 287.281 3.623 30 20 CHED C=CCCC(C)(C)CNC(=O)CC1(CC(=O)O)CCCC1 1588777010 RAFCGMZIPVMSFF-UHFFFAOYSA-N 295.423 3.520 30 20 CHED C=CCCC[C@H](NC/C=C(/C)C(=O)O)c1ccccc1 1588797651 IKOBDAKWHHDIKS-HECSCLNYSA-N 273.376 3.705 30 20 CHED C=CCCCCN[C@H](c1ccccc1)C(C)(C)C(=O)O 1588802670 SFTSYPMNQAXIAH-OAHLLOKOSA-N 275.392 3.784 30 20 CHED C=CCCC(C)(C)NCc1cc(C(=O)O)c(C(C)C)[nH]1 1602857265 OZGQJMIIYNHGQN-UHFFFAOYSA-N 278.396 3.671 30 20 CHED N#Cc1ccccc1OCc1cccc2ncccc12 1640720984 ROLLGMBMYYNAOR-UHFFFAOYSA-N 260.296 3.685 30 20 CHED N#Cc1c(NCCC2CC2)nc2c(c1C#N)CCCCCC2 1642339812 LXXVDBUKRWAZPT-UHFFFAOYSA-N 294.402 3.696 30 20 CHED C[C@H](C#N)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 1645467812 WDTJTYXQFWRHIA-GFCCVEGCSA-N 289.338 3.933 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1Nc1cccc(C#N)n1 1651482209 ASWDQZJHCKQZCK-DZGCQCFKSA-N 257.381 3.970 30 20 CHED CC[C@H](C)[C@H]1CCCCN1c1cc(C)c(C#N)cn1 1651699020 MVRBLPLPXZKFPH-SWLSCSKDSA-N 257.381 3.667 30 20 CHED CCC1(CC)CN([C@@H](C#N)c2ccccc2)CCS1 1653204429 QDTZASPJQNHSRH-HNNXBMFYSA-N 274.433 3.859 30 20 CHED N#Cc1ccc(CCNC2(c3ccc(F)cc3)CCC2)cc1 1654327749 HJLOVBQWADBGRC-UHFFFAOYSA-N 294.373 3.909 30 20 CHED CCc1cc(C)nc(Sc2cccc(F)c2C#N)n1 1655612183 MBWXFOBNZVOIRJ-UHFFFAOYSA-N 273.336 3.509 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1cc(F)cc(F)c1 1658800784 CQJOJEBVYVCCSK-UHFFFAOYSA-N 284.309 3.789 30 20 CHED N#Cc1ccsc1NC(=O)NC[C@H]1CCC[C@@H]1C1CC1 1671450121 XACYAXUVSAVUIB-CHWSQXEVSA-N 289.404 3.568 30 20 CHED O=C(O)c1ccccc1NN=Cc1cccc(C(F)F)c1 1776032313 YJVFFIRUYZHNMO-UHFFFAOYSA-N 290.269 3.768 30 20 CHED O=C(O)c1ccc(NN=C2C[C@H]3CC=CC[C@@H]3C2)cc1F 1776076981 PGWLCAXOIHRSRC-GHMZBOCLSA-N 288.322 3.668 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C(=O)O)c1ccccc1 1776180847 XLSUYGNBHGUPEJ-KRWDZBQOSA-N 281.355 3.501 30 20 CHED O=C(O)/C=C\c1ccc(/C=C2\Cc3ccccc3C2=O)cc1 1777623284 AAAMXDHZTLPZOV-XCPYIMEESA-N 290.318 3.607 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(F)cc1 20126484 PODFNLPMZMOWOA-GFCCVEGCSA-N 270.307 3.901 30 20 CHED Cc1ccc(CNc2ccc(OCC#N)cc2)s1 20126586 VCBVIEJIQWQGRU-UHFFFAOYSA-N 258.346 3.571 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1 33910224 IQVWSROYHAVGAA-VURMDHGXSA-N 280.323 3.662 30 20 CHED N#CCc1cccc(C(=O)Nc2cccc3cnccc23)c1 42192628 DFOZSRKEJYVWOW-UHFFFAOYSA-N 287.322 3.553 30 20 CHED N#Cc1ccc(Sc2nc3ccc(Cl)cc3[nH]2)nc1 42817406 GGNGTYQARLFGJP-UHFFFAOYSA-N 286.747 3.634 30 20 CHED N#Cc1ccc(F)c(CN2CCC[C@@H]2C2CCCC2)c1 44352394 NPNJTDZTRWJFNI-QGZVFWFLSA-N 272.367 3.852 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(C#N)cc1 45027403 CFBHRAJRZUEHDQ-LBPRGKRZSA-N 297.333 3.922 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(C)cc1 45053166 FZSZVDHMHJRPJJ-UHFFFAOYSA-N 267.328 3.812 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc(C)s2)n1 48337213 KIIVIPZXYJOKEE-UHFFFAOYSA-N 257.362 3.552 30 20 CHED Cc1ccccc1/C=C1/COc2c(C)cccc2C1=O 48985563 VQMPUGCFMFVIGD-GDNBJRDFSA-N 264.324 3.962 30 20 CHED C=CCN(CC=C)Cc1csc(-c2ccccc2)n1 52869455 KAJUFEBTMGOTRA-UHFFFAOYSA-N 270.401 3.984 30 20 CHED C/C(=C\C(=O)Nc1cccc(OCCCC#N)c1)C1CC1 55567926 AWWDPGINCCXYHF-ACCUITESSA-N 284.359 3.664 30 20 CHED C=C(C)CN(CC)C(=O)CCCOc1cccc(C)c1 57158057 KKTHITUVDPOHSO-UHFFFAOYSA-N 275.392 3.579 30 20 CHED C=CCn1c(SCCCCC)nnc1C1CC1 59884314 XKTFENAQBYXMOR-UHFFFAOYSA-N 251.399 3.624 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1ccc(Cl)s1 64456620 XBCKYHDUOLENHQ-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc12 69324262 FLORCDLBUAEEHG-HUUCEWRRSA-N 297.398 3.998 30 20 CHED CC(C)[C@@H](NCCCSCC#N)c1ccccc1 72513466 RNALSKYRUDYGJZ-OAHLLOKOSA-N 262.422 3.620 30 20 CHED CC(C)C[C@@H](CCO)CNc1ccc(C#N)c(Cl)c1 75062201 GLZRPVSPSZSPRV-GFCCVEGCSA-N 280.799 3.668 30 20 CHED CCC[C@H](C)C(=O)N(CCC#N)c1ccc(OCC)cc1 78380345 LPPJTPSEGHPYAW-AWEZNQCLSA-N 288.391 3.768 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(C#N)c1 82349234 OZUNHCUIWMXTJJ-KSSFIOAISA-N 290.366 3.576 30 20 CHED Cc1cccc(Oc2ccc(NC(=O)CC#N)cc2)c1 83483878 SANCNYQVQYVQRJ-UHFFFAOYSA-N 266.300 3.640 30 20 CHED C=C(C)CN(CC)Cc1cccc(SC(=O)N(C)C)c1 84068359 UHCSWZNMHMCIIT-UHFFFAOYSA-N 292.448 3.858 30 20 CHED Cc1ccc(C#N)cc1NCc1cnc(Cl)s1 89659576 VKKSBMJUAVDXAG-UHFFFAOYSA-N 263.753 3.589 30 20 CHED N#Cc1csc(CN2CCC[C@H]2C2CCCC2)c1 92401729 HZMHXXUYMUSWRJ-HNNXBMFYSA-N 260.406 3.774 30 20 CHED CCCCCCCNC1CCN(C(C)(C)C)CC1 103033617 AMZYESBEZAZHGU-UHFFFAOYSA-N 254.462 3.809 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(N2CCCC2)c1 105021893 DMRXVBSYZLTPOD-UHFFFAOYSA-N 287.407 3.717 30 20 CHED CCCCCCCC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 105409266 MYLLUOZBQRXUMJ-HOTGVXAUSA-N 282.472 3.584 30 20 CHED CCCCCCCNCc1cccc(OCC)c1O 106291707 KICNHGWSFHWARQ-UHFFFAOYSA-N 265.397 3.851 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)CC1CC1 108238039 XPAISYKDUWEYGH-LLVKDONJSA-N 274.389 3.677 30 20 CHED C=CC1CCN(C(=O)Cc2cn(CC)c3ccccc23)CC1 110361400 FARMNEULWWFSAY-UHFFFAOYSA-N 296.414 3.628 30 20 CHED C=CC1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 110367571 MGRNXIDWKMMIGI-UHFFFAOYSA-N 295.382 3.887 30 20 CHED N#Cc1ccc(-c2ccc(OCc3ccon3)cc2)cc1 115963605 ZTMIOPKCZLQPGW-UHFFFAOYSA-N 276.295 3.792 30 20 CHED N#CCCCN1CCSC[C@H]1c1ccc(Cl)cc1 116326664 BDSKEGLNAOYKOS-AWEZNQCLSA-N 280.824 3.734 30 20 CHED C=CC[C@H](C)NC(=O)CCCc1ccc(Cl)cc1 116851885 LOGRGGQSIVARKM-LBPRGKRZSA-N 265.784 3.744 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cc(Cl)ccc1Cl 120674437 RLEDKZGQZZMWFA-ZDUSSCGKSA-N 285.174 3.661 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 122520591 YQNRDUJYGRSPDK-WBVHZDCISA-N 286.375 3.744 30 20 CHED C=C[C@H](CC(=O)NCC1(C(C)C)CC1)c1ccccc1 123952283 HSDXTTLTGLWFSS-OAHLLOKOSA-N 271.404 3.899 30 20 CHED COc1cccc([C@@H]2CCCN2Cc2ccc(C#N)s2)c1 124244263 VNJIMFIMHBGRAJ-KRWDZBQOSA-N 298.411 3.965 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)c1ccc(N(C)C)cc1 126252636 DHCYJEBVUVQSIJ-LBPRGKRZSA-N 283.350 3.936 30 20 CHED N#Cc1cc(F)ccc1NCc1ccc2ncccc2c1 126323358 NNXCUZORXYUVOO-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C=CCCOc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 128838849 WQTYIYQZBWQDHK-CQSZACIVSA-N 286.331 3.543 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(Cl)c(F)c1 129254792 UVSDWPFUTRZNKL-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)OC1CCC(Nc2ccc(C#N)cc2F)CC1 130073690 XAGOVHZTWHYUFC-UHFFFAOYSA-N 276.355 3.845 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H](C)c1ccccc1F 131268005 XPTWWMCZELIHLW-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED CC(C)CC[C@H]1CCCN1CCCSCC#N 135321607 WBMSUCQNRHJVHY-CQSZACIVSA-N 254.443 3.534 30 20 CHED CC1(C)CCC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 149801670 SYIISKOCZHKCGD-CYBMUJFWSA-N 262.397 3.545 30 20 CHED C#CCCCCNCc1ccc(OCc2ccncc2)cc1 150732929 XBJZZLKDASBGLR-UHFFFAOYSA-N 294.398 3.554 30 20 CHED COc1ccc(C#N)cc1CSCCOC(C)(C)C 151510893 QDXTUVBPJZAUMK-UHFFFAOYSA-N 279.405 3.615 30 20 CHED CC#CCCSCc1nc(CCc2ccccc2)no1 154952096 NJXSFHIMGRAEBY-UHFFFAOYSA-N 286.400 3.501 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCc1ccc(Cl)nc1 155034853 IYTLWNYQJSOSDA-RQZCQDPDSA-N 295.169 3.756 30 20 CHED C#CCCCCNC(=O)c1oc2c(C)cccc2c1C 156363631 TZXJEQMCJMZDTJ-UHFFFAOYSA-N 269.344 3.583 30 20 CHED N#Cc1cccc(C(=O)CSc2ccccc2)c1 160523884 LYHMAJFMYBCWAG-UHFFFAOYSA-N 253.326 3.533 30 20 CHED C#CCCCOC(=O)c1sc(-c2ccc(C)o2)nc1C 170711828 XUBVGXLRORPFRM-UHFFFAOYSA-N 289.356 3.590 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1cccnc1Cl 171080275 QVUQHJZEPINYKZ-UHFFFAOYSA-N 288.753 3.510 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cscc1C 175382597 GHLCXOXLGGINSC-UHFFFAOYSA-N 277.414 3.946 30 20 CHED N#Cc1cc(F)ccc1CN1CCS[C@@H]2CCCC[C@@H]21 177195881 DKAHNSRLZNKLLK-JKSUJKDBSA-N 290.407 3.557 30 20 CHED CC1(C)C[C@@H](NC(=O)c2cc(C#N)cs2)c2ccccc21 178621924 BSSBYVWULLDCRY-CQSZACIVSA-N 296.395 3.772 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(C(C)(C)C)cc1 180848150 GWNPRWUONAAIJU-UHFFFAOYSA-N 274.408 3.702 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N(C)c1cc(Cl)ccc1C#N 180975406 NUWUEWFSKISGBH-MNOVXSKESA-N 278.783 3.857 30 20 CHED C=CCCC[C@H](C)NC(=O)N(Cc1ccccn1)C1CC1 181096832 YIAVTMZGLIJGKF-AWEZNQCLSA-N 287.407 3.500 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H]2CCCC[C@@H]21 183834397 YGMDZSUVXPKWST-BMFZPTHFSA-N 261.409 3.792 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1c(F)cccc1Cl 185766212 IMCQZNOSICQHLE-JTQLQIEISA-N 281.758 3.706 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1CCC[C@H]1C 185939041 GVSXYIABRUUEBK-HUUCEWRRSA-N 264.413 3.601 30 20 CHED C#CCSCCN[C@@H](C)c1ccc2ccccc2c1O 186070539 XPZUYRLZELWIAC-ZDUSSCGKSA-N 285.412 3.562 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(C(=O)CC)c1 188534279 WHOFSSLPTPVOJA-INIZCTEOSA-N 259.349 3.820 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 188991832 PDVRWYGBEIDJHT-LBPRGKRZSA-N 288.347 3.518 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 189058352 ZSVNSLGPVJRWMO-SFHVURJKSA-N 297.402 3.992 30 20 CHED C=CCCC[C@H](C)NC(=O)c1csc(Cl)c1 189612396 OCKFQBVYYCDPDK-VIFPVBQESA-N 257.786 3.876 30 20 CHED Cn1ccc2cccc(NCc3ccc(C#N)s3)c21 190905626 QJOBFWKYECNMBM-UHFFFAOYSA-N 267.357 3.724 30 20 CHED CCCCCCCCCN1CCC[C@@H](CNC(C)=O)C1 191967778 YKQKDCZTSVNCLY-KRWDZBQOSA-N 282.472 3.585 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1cccc(CC#N)c1 193464938 ZXDFUHWIVHWHFP-CQSZACIVSA-N 284.403 3.841 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Cc1ccsc1 194222191 RPGRXDABINQCAP-UHFFFAOYSA-N 289.375 3.645 30 20 CHED Cc1ccc(OC(=O)C2(C#N)CCCCC2)c(C)c1 194320127 OPBGQRJUCBMSJS-UHFFFAOYSA-N 257.333 3.683 30 20 CHED C=CCN1C(=O)/C(=C\c2ccc(F)c(C)c2)SC1=S 209782927 MUDAMUMYZHMBHP-XYOKQWHBSA-N 293.388 3.521 30 20 CHED CCOc1cc(C#N)ccc1OC/C(Cl)=C\Cl 211274174 POJSYMUUHCBXTE-UXBLZVDNSA-N 272.131 3.655 30 20 CHED N#Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)c(Cl)c1 226346851 BPWBHIBTJNPHON-UHFFFAOYSA-N 296.757 3.953 30 20 CHED CC(C)[C@H](C)N(C)c1ccc(C#N)c(Br)c1 228178721 HCCGSLIUZTYFKF-JTQLQIEISA-N 281.197 3.801 30 20 CHED C#CCCCN[C@@H]1CCCc2c1[nH]c1ccccc21 229819551 CCBMNTOPWJQYLD-MRXNPFEDSA-N 252.361 3.548 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1cccc(F)c1 234272556 IHMXFECFUSDPKF-UHFFFAOYSA-N 262.372 3.978 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(F)c2ccccc12 235066796 CPLKKBHVMVMGTL-NSHDSACASA-N 257.308 3.673 30 20 CHED CCN(C[C@@H](C)C#N)[C@H]1CCCc2ccc(F)cc21 245774793 LFNYLEHTUSULFL-LRDDRELGSA-N 260.356 3.685 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(C#N)c1 248270685 ZIDYDDQSOXNYCQ-HNNXBMFYSA-N 292.382 3.999 30 20 CHED CCS[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 248904233 UTAHLPOEMCFBIR-APIJFGDWSA-N 266.454 3.723 30 20 CHED Oc1ccccc1C=Nc1ccc2scnc2c1 254935543 GWMABXFUICEVOQ-UHFFFAOYSA-N 254.314 3.753 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C\c1ccccc1C#N 254977561 OPXJLDDWWYZDCF-VKVVMCFYSA-N 294.398 3.751 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(c2ncccc2C#N)C1 266274176 RSUUYTDBXDNTNU-BLLLJJGKSA-N 281.334 3.680 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCc2cc(F)ccc21 268145970 DHLMKKRJAZGZQK-MRXNPFEDSA-N 273.351 3.698 30 20 CHED CC[C@H](O)c1ccc(OCc2ccc(C#N)cc2OC)cc1 270902121 JSRGCHRACZYBCR-KRWDZBQOSA-N 297.354 3.589 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cn(C)nc1-c1ccccc1 272412878 ZXKAVNWMJNEPDY-UHFFFAOYSA-N 298.390 3.517 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C/c1ccc(C#N)cc1 276260778 NGLMKHXGIJPGRG-ZHACJKMWSA-N 295.386 3.502 30 20 CHED CC(C)n1nccc1CN[C@H](CCC#N)c1ccccc1 280212466 IIMXWOBTYWGYKU-QGZVFWFLSA-N 282.391 3.599 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(-c2ccnn2C)ccc1C 281083633 OGFRUTNRTFWQNX-GOSISDBHSA-N 297.402 3.936 30 20 CHED C=CCn1c(C)nnc1SCc1sccc1Cl 283131514 TYDSDTURVBKMHW-UHFFFAOYSA-N 285.825 3.780 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1[C@@H]1CCCO1 284732523 KKWABEDXYNPZDP-MSOLQXFVSA-N 298.430 3.631 30 20 CHED C=CCC[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccco1 285967136 GYGNDXBXSMGZBA-GDBMZVCRSA-N 291.416 3.846 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H](C)c1ccco1 292666543 DAYSVHSICTXGSB-LBPRGKRZSA-N 264.369 3.584 30 20 CHED CC(C)[C@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1 293515237 ZUFSRYFMQGKHSP-HNNXBMFYSA-N 292.810 3.890 30 20 CHED CCc1ccc2nccc(NCCCCC#N)c2c1 297327771 ZYNMMMCUPOJRHU-UHFFFAOYSA-N 253.349 3.903 30 20 CHED CCc1ccccc1CNc1snc(Cl)c1C#N 301363345 PTRYYIWCNFKXRH-UHFFFAOYSA-N 277.780 3.843 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC2(CCCC2)C1 301478746 UXFDCNYHIIVDMW-UHFFFAOYSA-N 260.768 3.982 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 302171766 MOPQWAOMURUNAD-CYBMUJFWSA-N 295.342 3.818 30 20 CHED C=CCCCCNc1cc(Cl)nc(C2CC2)n1 302266069 QVWOBSHSXAIDGB-UHFFFAOYSA-N 251.761 3.776 30 20 CHED N#Cc1cccc(C#N)c1N1CCc2ccc(Cl)cc2C1 302885596 MMTQFCIGPGNFAO-UHFFFAOYSA-N 293.757 3.646 30 20 CHED N#Cc1ccc(Cl)cc1NCCOc1cccc(F)c1 303829609 ZICSSRVUHHNHNJ-UHFFFAOYSA-N 290.725 3.842 30 20 CHED N#CCc1cccc(NCc2ccc(-n3cccn3)cc2)c1 313433161 BWGIENPDXQBVBN-UHFFFAOYSA-N 288.354 3.550 30 20 CHED C[C@H]1C[C@@H](NCc2ccc(C#N)cc2)c2ccccc21 313514375 MSZRJUXNMKKBOJ-SCLBCKFNSA-N 262.356 3.896 30 20 CHED CCO[C@@H](C)c1ncc(/C(O)=N/C2CCCCC2)s1 330910624 GWQVGEUIMLYMOX-JTQLQIEISA-N 282.409 3.878 30 20 CHED N#C[C@@H]1CC[C@H](NC2CCC(C#N)(c3ccccc3)CC2)C1 333350426 AZPKLAYWHRVAOG-IZIZEDOESA-N 293.414 3.672 30 20 CHED CC1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 334732383 ZRWRJRJNFVECKE-UHFFFAOYSA-N 291.782 3.670 30 20 CHED CC(C)(C#N)C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 334808895 WDXVPCOFUZMPAE-OCCSQVGLSA-N 290.794 3.642 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 338152740 MDJRZCQXKGTWHW-BEFAXECRSA-N 296.414 3.908 30 20 CHED C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccccc1C#N 339151245 BKGMCENGFVVCFJ-YUNKPMOVSA-N 287.359 3.707 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C)ccc1F 339648073 WXBTWRZLAUCETG-UHFFFAOYSA-N 283.346 3.963 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1F 341756207 DEOXBCHEJRNXJM-GOSISDBHSA-N 280.346 3.865 30 20 CHED CCOc1cc(Cl)ccc1NC(=O)[C@](C)(C#N)CC 342503787 GTQUIFCYNPFCOG-AWEZNQCLSA-N 280.755 3.617 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(C)n(C)c1C 344329231 VFZKUQSJDWLROI-UHFFFAOYSA-N 288.416 3.532 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)[C@H](C)C1 347873178 RCOQUEAUQMOZDP-WBVHZDCISA-N 299.414 3.597 30 20 CHED N#Cc1c(CN2CCCC3(CCC3)C2)cn2ccccc12 348176731 GIKBQGZDRPKOFF-UHFFFAOYSA-N 279.387 3.577 30 20 CHED N#CCCN(C/C=C\c1ccc(F)cc1F)CC1CC1 350006109 GCJBTBPKCQQDDS-IWQZZHSRSA-N 276.330 3.604 30 20 CHED COc1c(CNCC(C)(C)CCC#N)oc2ccccc12 353187155 ZTGAAUYEYKCENB-UHFFFAOYSA-N 286.375 3.861 30 20 CHED N#CC[C@H](CC(=O)Nc1ccc(F)cc1)c1ccccc1 353342672 IGGBWAWEZDBASO-CQSZACIVSA-N 282.318 3.852 30 20 CHED C=C(CC)CN1CCC[C@@H]1c1cccc2c1OCCO2 358499458 OJUMFIKMHVCWJP-OAHLLOKOSA-N 273.376 3.561 30 20 CHED C=C(CC)CSCCCS(=O)(=O)c1ccccc1 358637561 OUXWSLFTSODKME-UHFFFAOYSA-N 284.446 3.550 30 20 CHED C=CCCC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 358880269 GPTBQUFASYHDMI-SNVBAGLBSA-N 266.410 3.584 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)C1CCC(C)CC1 358946240 BWFNFVSPAXVMAS-UHFFFAOYSA-N 288.439 3.747 30 20 CHED N#Cc1cccc(CCNc2ncccc2C(F)(F)F)c1 359933477 QMNCGGMCYRQZSG-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=C(CNC(=O)c1cccc2oc(C)nc12)c1ccccc1 360209728 RMHHKDCQXOEMSI-UHFFFAOYSA-N 292.338 3.579 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 360373672 GGZWYGJUBVSMKL-BZUAXINKSA-N 270.376 3.584 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C(C)(C)C 363832642 XBQXSEQTLBCKKY-XHBSWPGZSA-N 290.432 3.605 30 20 CHED N#CCSCCCN1CCC[C@H](Cc2ccccc2)C1 377892800 DOSDXSHJGBEOKG-QGZVFWFLSA-N 288.460 3.588 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 397632490 VYHHDODQVFOAPF-LBPRGKRZSA-N 298.308 3.711 30 20 CHED C[C@H](O)CN(CCCCC(C)(C)C#N)C1CCCCC1 409446503 SNJNKVQWGUMMCJ-HNNXBMFYSA-N 280.456 3.722 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CC(C)(C)c1ccccc1 410829121 QAASBDSLXURRTJ-HNNXBMFYSA-N 272.392 3.505 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCCCC(C)(C)C 410839144 YZVGROYCDSRPEM-ZDUSSCGKSA-N 252.402 3.744 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(C#N)c1 413105350 NQAORAYTLVXRJN-CVEARBPZSA-N 299.418 3.572 30 20 CHED Cc1ccccc1C[C@H](NCC(C)(C)CC#N)C1CC1 414162754 HQVANNYRPGKIDZ-KRWDZBQOSA-N 270.420 3.846 30 20 CHED CC[C@H](NCc1ccc(C)c(C)n1)c1ccc(C#N)cc1 414174009 XQBTXQIBEZKWDV-SFHVURJKSA-N 279.387 3.811 30 20 CHED CCC1(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCC1 416094601 FTHCLUNADMMGKL-INIZCTEOSA-N 282.387 3.632 30 20 CHED C=C[C@@H](CCC(=O)O)NCC1CCC(C(C)(C)C)CC1 417630174 TYDDROQJWFGJSO-NRXISQOPSA-N 281.440 3.848 30 20 CHED CCn1cc(CCS[C@@H](C)c2cccc(C#N)c2)cn1 419460769 GIHBJEKISAPTHE-ZDUSSCGKSA-N 285.416 3.812 30 20 CHED N#Cc1ccccc1C[S@@](=O)c1ccc2c(c1)CCCC2 422095050 IWMMETYOVKQJGF-OAQYLSRUSA-N 295.407 3.745 30 20 CHED C=CCC[C@@H](CCC)N[C@H](C)c1ncc(C(=O)OC)s1 424327900 NEOGNFODLMTGHE-VXGBXAGGSA-N 296.436 3.715 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCc2ccccc2CC1 424869150 JGNZJDUSBFLWLD-UHFFFAOYSA-N 271.404 3.606 30 20 CHED C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)CC1CC1 425365765 MNSLDTDYEZCMQT-LLVKDONJSA-N 282.309 3.829 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CCCC[C@@H]1C 425552407 RPPAGRWLSYPLGE-UONOGXRCSA-N 264.413 3.791 30 20 CHED C=CCC[C@@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1ccco1 425934846 FNNJHSIMTUQIRB-CUSZFKRNSA-N 289.419 3.818 30 20 CHED N#Cc1ccnc(SCc2ncccc2C(F)(F)F)c1 428063263 LILAFPOGJIHGSZ-UHFFFAOYSA-N 295.289 3.659 30 20 CHED Cc1cccc(CN(C)Cc2cc(C#N)ccc2F)c1C 428743124 VRRKQBVGUDNFEY-UHFFFAOYSA-N 282.362 3.946 30 20 CHED C=CCCCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 430668946 YWGQPDADGNPKJI-SJCJKPOMSA-N 275.367 3.922 30 20 CHED CC[C@H](NCC1(CC#N)CC1)c1cc(F)ccc1F 430753741 JLBDUHKNRSUKBB-AWEZNQCLSA-N 264.319 3.699 30 20 CHED N#Cc1ccc(OCC(=O)C2CCCCCC2)cc1F 432560127 SYPQPOGVSUXNNW-UHFFFAOYSA-N 275.323 3.616 30 20 CHED C=CCC[C@@H](NCc1ccc(OC(C)C)nc1)C1CC1 439077912 MNPXJEDUQFRUOR-MRXNPFEDSA-N 274.408 3.703 30 20 CHED Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c(F)c1 439663267 BUNVKSJDBKSNHB-KRWDZBQOSA-N 296.345 3.909 30 20 CHED Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)c(F)c1 439663268 BUNVKSJDBKSNHB-QGZVFWFLSA-N 296.345 3.909 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H](C)CC1 443575293 GZCWYXNLLNUYNV-SWLSCSKDSA-N 285.391 3.957 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](Nc1ccccc1)C(C)C 443641153 UJUJZJAFFAAIDX-SJLPKXTDSA-N 288.435 3.842 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc2c1ccn2CC(C)C 446167680 JUSRFQDNYAEIQK-AWEZNQCLSA-N 284.403 3.992 30 20 CHED CCc1ccc(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1 447916148 OKWPLXZSEXKUFG-RTBURBONSA-N 298.430 3.676 30 20 CHED C=CCCCC[C@H](C)Nc1ccc2c(c1)C(=O)N(C)CC2 449222631 MXRHZRGKHVASJR-AWEZNQCLSA-N 286.419 3.862 30 20 CHED CCCn1ccc2ccc(NC(=O)[C@@]3(C#N)C[C@H]3C)cc21 449932415 TYQZIZKAOAQQKX-SJKOYZFVSA-N 281.359 3.540 30 20 CHED C=CC(C)(C)CNC(=O)CCC(=O)c1ccc(Cl)cc1 452774526 FIUWJRBUDOQDLE-UHFFFAOYSA-N 293.794 3.631 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C1 454280001 SQYOXAZJNBEXAW-INIZCTEOSA-N 299.418 3.526 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)C1CCC1)c1ccc(C#N)cc1 454344684 INTBWABLMZVINS-CYBMUJFWSA-N 299.418 3.745 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(/C=C/C)cc1 455449285 PUGCZDTUQWKVJN-DBLORFJXSA-N 286.375 3.575 30 20 CHED C=CCC[C@@H](NC(=O)N=c1[nH]oc(C)c1C)c1ccccc1 455680251 ZSFBANCBPAHQHY-OAHLLOKOSA-N 299.374 3.542 30 20 CHED C=CCC1(CNC(=O)C[C@@H](OCC)C(=C)C)CCCC1 456484179 IOLWTVFPCZBWHM-OAHLLOKOSA-N 279.424 3.610 30 20 CHED C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCC1 457418319 HAGXTUVBAYWLSG-GFCCVEGCSA-N 270.376 3.862 30 20 CHED N#CCCN(Cc1ccco1)CC1CCC(F)(F)CC1 459345175 AIQNGGQKWINGOW-UHFFFAOYSA-N 282.334 3.821 30 20 CHED N#C[C@]1(C(=O)N2CCC[C@H]3CCCC[C@H]32)CC12CCCC2 459869091 BHNNSQXJZCDBDO-RKVPGOIHSA-N 286.419 3.642 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H](C)c2ccccc21 460566559 LDHLGAVXDQSDHT-CYBMUJFWSA-N 294.402 3.987 30 20 CHED Cc1nn(Cc2ccc(C3CCCC3)cc2)cc1C#N 461063460 WMUZFPWEAMMRCA-UHFFFAOYSA-N 265.360 3.769 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 463099087 OKVIRXGFASIUFX-BXKDBHETSA-N 262.740 3.586 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 464758092 QFDSTIZWHCWCDI-RISCZKNCSA-N 278.783 3.761 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(Oc2ccccc2)cc1 465106417 DNTUKZAPDWTJPN-CYBMUJFWSA-N 267.328 3.783 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCOc1ccccc1Cl 466363776 XZRMHHDMVMGDSX-INIZCTEOSA-N 295.810 3.780 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@@H]1C 466699780 LODRSCQHBTYUHU-RDJZCZTQSA-N 286.419 3.820 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)Cc1ccc(C)cc1C 468022660 PVRKDIOKABIJSZ-CRAIPNDOSA-N 273.420 3.953 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1cccc2ccccc12 468878298 IRBONXXRZFAMGC-CYBMUJFWSA-N 280.371 3.957 30 20 CHED C=CCN(C(=O)c1cc2ccccc2n1CCC)C1CC1 469823820 ZAVSLQSJARFUMD-UHFFFAOYSA-N 282.387 3.842 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC1(C)C 470643400 VXLXUIIJXZQQFA-OAHLLOKOSA-N 257.377 3.637 30 20 CHED C=CCOCCCN(Cc1ccc(C#N)cc1)CC(C)C 470721343 BYDVFPJJMAYRML-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C=CCCCCN[C@@H](Cc1cccc(OC)c1)C1CC1 471605528 HZAVJXSVWZSXSL-SFHVURJKSA-N 273.420 3.962 30 20 CHED C=CCC[C@@H](O)CN(C)[C@@H](C)c1cc(C)ccc1C 472576753 HWIKVSKODYFKHZ-JKSUJKDBSA-N 261.409 3.623 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 473842139 IIEBYHUYLJXASI-HUUCEWRRSA-N 293.451 3.833 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccc(C)cc2)CC1 474689080 DNHFLZHFLOOTCP-AWEZNQCLSA-N 257.377 3.919 30 20 CHED CCC[C@](C)(CC)C(=O)N[C@H](C)c1ccc(C#N)cc1 474696526 RNJJWQQHYUTPPE-DYVFJYSZSA-N 272.392 3.952 30 20 CHED Cc1ccc(SCCCOc2cccc(C#N)c2)nc1 477371130 CUZXZAUJNAWYJV-UHFFFAOYSA-N 284.384 3.823 30 20 CHED C[C@H](SCC#Cc1ccc(F)cc1)C(=O)OC(C)(C)C 479705369 LOXYITVIAICRJC-LBPRGKRZSA-N 294.391 3.641 30 20 CHED C=C(C)[C@H](N[C@@H]1CN(CC)C[C@@H]1C)c1ccc(F)c(F)c1 480679113 VAYVQYOTFUIHSE-VUCTXSBTSA-N 294.389 3.512 30 20 CHED CC#CCNC(=O)Nc1ccc2c(c1)oc1ccccc12 483921325 JOGGBVNDUXZCDZ-UHFFFAOYSA-N 278.311 3.731 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2ccc(C#N)s2)c1C 487010257 GQXWRSDURYLAHQ-LBPRGKRZSA-N 284.384 3.728 30 20 CHED CCCCN(C(=O)c1ccc(C#N)s1)[C@H](C)CC 487128121 DKKITGKMEUHQQB-LLVKDONJSA-N 264.394 3.661 30 20 CHED C=C[C@H]1CCCCN1Cc1coc(-c2cccs2)n1 489422861 FQEKXVXPBDHFOQ-ZDUSSCGKSA-N 274.389 3.944 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1ccc(OC)cc1 490036722 ZLEOQAHBIJYARX-AWEZNQCLSA-N 289.419 3.592 30 20 CHED CCN(C(=O)/C=C\c1ccc[nH]1)[C@@H](C)c1ccc(C#N)cc1 492017039 QKYMMBXMKUIMKS-BMSUMIBZSA-N 293.370 3.509 30 20 CHED C[C@@H](NCCOc1ccccc1C#N)[C@H](C)c1ccccc1 495404325 YJHVJIOLGOJGES-JKSUJKDBSA-N 294.398 3.719 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC1(C)C 502317705 GHHMICAENKKVNQ-LLVKDONJSA-N 283.824 3.962 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(c2ccccc2)CCC1 507463797 VFENFFFKMZOOCH-OAHLLOKOSA-N 272.392 3.720 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2nc3c(cc2C#N)CCC3)o1 515555192 TUUALJDJGUOORP-IAQYHMDHSA-N 293.370 3.770 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 516944229 YYAOKZQLNAYBJJ-VWYCJHECSA-N 288.416 3.729 30 20 CHED C=CC1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 521096375 GHEJXGAUSWUEEV-UHFFFAOYSA-N 298.213 3.961 30 20 CHED N#Cc1ccc(NCC2Cc3ccccc3C2)c(F)c1 522691642 DPFCATUVJBPQFN-UHFFFAOYSA-N 266.319 3.524 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC(C)C)cc1C 523987132 WIYQRTFSGOGVAH-ZDUSSCGKSA-N 276.380 3.868 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(C#N)cc1F 524757310 JSZJAAJQMZHZIO-SUYBPPKGSA-N 272.367 3.850 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](c1ccco1)N1CCCCC1 531948100 YLWMOVABUHCWDW-GVDBMIGSSA-N 290.451 3.997 30 20 CHED CC(C)N(Cc1cccc(C#N)c1)c1ccccc1 533486823 CCIUIEZLSVVLBZ-UHFFFAOYSA-N 250.345 3.973 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccccc1Cl)C(C)C 537085632 JTJWQGCEWMWGQG-CJNGLKHVSA-N 281.827 3.954 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(F)c(F)cc(F)c1F 538331366 GNBCSQFGYPCCIJ-MRVPVSSYSA-N 289.272 3.718 30 20 CHED C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C1CC1 538956430 XQZRSPOKJJFCQF-UHFFFAOYSA-N 289.766 3.540 30 20 CHED C=C(CC)CN1CCN(CC(=C)CC)[C@@H]([C@H](C)CC)C1 539118498 KRKXENFMKAGSFD-QZTJIDSGSA-N 278.484 3.951 30 20 CHED C=CC[C@@H](CO)CN[C@H](CCC)c1ccc(Cl)cc1 540393444 JTNJDIDOCWRLHW-CZUORRHYSA-N 281.827 3.955 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1 541757224 ONSBNZNSJJUMIJ-CQSZACIVSA-N 290.794 3.862 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C(C)(C)C)C1 544261816 SLXIPNYVEPIJHC-AWEZNQCLSA-N 285.391 3.767 30 20 CHED C=CCN(C)c1nnc(-c2sccc2C)n1CC(=C)C 549603413 CFCHRVJQLHDQDM-UHFFFAOYSA-N 288.420 3.513 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCc2ccc(C#N)cc21 550154176 QLNKJVVHVDMDGA-CZUORRHYSA-N 282.387 3.664 30 20 CHED CCN(CCOc1ccccc1C)Cc1ccc(C#N)cc1 554178500 CHLXFECVEZGTKB-UHFFFAOYSA-N 294.398 3.768 30 20 CHED Cc1nsc(N2CCc3c(Cl)cccc32)c1C#N 554681048 TVIQJSGSKMVEQX-UHFFFAOYSA-N 275.764 3.671 30 20 CHED C[C@@H]1CCCC[C@@H]1NC1(c2cccc(C#N)c2)CC1 556608144 FETZHSMSAVVVIZ-CJNGLKHVSA-N 254.377 3.716 30 20 CHED CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc(C#N)cc1 562569521 ZPLACYUGSVUGEU-KCXAZCMYSA-N 280.375 3.501 30 20 CHED C[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)[C@@H]1c1ccccc1 565015765 PWSHIBDMDROBIJ-ALKREAHSSA-N 294.398 3.680 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)Nc1cc(C#N)ncn1 565576865 JWQABMIIIDFKSB-MRXNPFEDSA-N 280.375 3.856 30 20 CHED C=CCCCCN[C@H](C)[C@H]1CCCN(C2CCC2)C1 567122113 LWAVEVJFHNJZMO-CVEARBPZSA-N 264.457 3.585 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCN(C(C)C)C1)c1ccco1 567258013 DPDSAOPRBYXCLK-IRXDYDNUSA-N 290.451 3.997 30 20 CHED CC#CCN(C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 570999826 RCQDRHQLLDYVPT-NSHDSACASA-N 298.213 3.654 30 20 CHED N#CCC[C@H](C#N)CNC[C@@H]1CCCC[C@@H]1c1ccccc1 581300592 WEVMWXZLVZYPJA-NZSAHSFTSA-N 295.430 3.994 30 20 CHED CN(Cc1ccc(OC(F)(F)F)cc1)CC(C)(C)C#N 583828154 JBAKFGXRPMHGHZ-UHFFFAOYSA-N 286.297 3.567 30 20 CHED N#Cc1cc(C(=O)N2CCC3(CCC3)CC2)ccc1Cl 588023082 WRPMGEKSHQZZMT-UHFFFAOYSA-N 288.778 3.618 30 20 CHED C=CCCC(=O)Nc1c(-c2ccccc2)ncn1C1CC1 588037393 RBAYUYAXUVMURL-UHFFFAOYSA-N 281.359 3.790 30 20 CHED CC(C)Oc1ccc(N(C)C(=O)CCCCCC#N)cc1 588977685 FVZUKLTUVDQQQF-UHFFFAOYSA-N 288.391 3.911 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H](C)CCC)c1 589739388 MVVPEPNWBWGJLB-CYBMUJFWSA-N 276.380 3.952 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)c1cccc(C#N)n1 589796460 GFHCUOAFESDHLC-UHFFFAOYSA-N 293.370 3.639 30 20 CHED N#CCCCCCC(=O)Nc1ccc([C@@H]2CCOC2)cc1 590515653 UJESROLFYAVKEX-OAHLLOKOSA-N 286.375 3.603 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N(CC#N)c1ccc(Cl)cc1 592650935 CVVDNSRXLDZVPE-NEPJUHHUSA-N 278.783 3.879 30 20 CHED C[C@@H]1CN([C@@H](C)CCC#N)CCc2ccc(Cl)cc21 593067074 RTKMVGIVSLJWAB-OLZOCXBDSA-N 276.811 3.994 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](C)CCC[C@@H]1C 593983775 ICGFZIGZQRZLRZ-PMPSAXMXSA-N 298.430 3.774 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC12CCCCC2 594000682 JPWKWRJKQWUPLK-RHSMWYFYSA-N 296.414 3.576 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N(C)[C@@H](C#N)CC 594090811 WSSJNMGYONQATL-HUUCEWRRSA-N 264.413 3.744 30 20 CHED C=CCCSCCNCc1csc(C(C)(C)C)n1 594960183 MOCVQWNXDLJANR-UHFFFAOYSA-N 284.494 3.840 30 20 CHED CCC1(CC)CCCN(C(=O)NCc2cccc(C#N)c2)C1 595457605 MAVMKSAPZSHBQB-UHFFFAOYSA-N 299.418 3.670 30 20 CHED Cc1cc(C#N)ccc1CN1CCC([C@H]2CCCCO2)CC1 595781261 BYSBFHRWLCBVQJ-LJQANCHMSA-N 298.430 3.648 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@H]2c2ccc(C)cc2)n1 596071243 MZTCGVIGZJTWPE-INIZCTEOSA-N 292.386 3.561 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1cc(F)ccc1CO 596634795 QAXFZGKZPPQWCW-UHFFFAOYSA-N 299.345 3.838 30 20 CHED C[C@H]1CC[C@H](NC(=O)CC2(C#N)CCCCC2)CC1 597178678 DZZWBEBKOLSRTC-HDJSIYSDSA-N 262.397 3.545 30 20 CHED C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1cccc(Cl)c1 597909175 HMQUFLYWHBHMQS-OLZOCXBDSA-N 290.794 3.596 30 20 CHED CCN(C(=O)c1sc2cc(F)ccc2c1C)[C@@H](C)C#N 598362766 IZSHLQBOPSJMKP-VIFPVBQESA-N 290.363 3.723 30 20 CHED N#CCc1ccc(C(=O)NC2CCC(C3CCC3)CC2)cc1 598451118 PETOHYNPXYXNFW-UHFFFAOYSA-N 296.414 3.841 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)n1 598858310 MJBMVWYPCVAMJY-COPLHBTASA-N 285.391 3.581 30 20 CHED CCC(C#N)(CC)C(=O)NCC[C@@H]1CCCC[C@H]1C 599501610 SFOCSNHQIFDNOH-KGLIPLIRSA-N 264.413 3.649 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)C1(C#N)CCCCC1 600245384 JWOFXRXNSUXPOS-KRWDZBQOSA-N 298.430 3.988 30 20 CHED N#Cc1ccc(Cn2nc(C(F)(F)F)cc2C2CC2)cc1 601943790 CHLBMBWCKJBBNO-UHFFFAOYSA-N 291.276 3.699 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(C#N)(CC)CC 602228674 TYNZUNCIDAFCAJ-UHFFFAOYSA-N 276.405 3.593 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(CN2CCCCC2)cc1 602514246 RUBIKULJEICKIO-KRWDZBQOSA-N 299.462 3.702 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 602563916 IBBOYRQNEJHINX-LMMKCTJWSA-N 299.462 3.569 30 20 CHED C[C@H](CCC#N)CNC[C@@H](C)Oc1cccc(Cl)c1 602567894 OOUMSXIVROKPNI-CHWSQXEVSA-N 280.799 3.637 30 20 CHED COCc1cc(C#N)ccc1NC[C@H](OC)c1ccccc1 603270859 HDCHJYFWSXZYBJ-SFHVURJKSA-N 296.370 3.504 30 20 CHED C=CCCN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 606897489 VXWSAPXARIFHIW-IAGOWNOFSA-N 259.393 3.662 30 20 CHED C=CC1CCN(C(=O)c2cc3cccc(F)c3o2)CC1 607827979 GUKGKRHHYHAENK-UHFFFAOYSA-N 273.307 3.610 30 20 CHED CCCN(CCCSCC#N)Cc1ccc(OC)cc1 610409632 BMKJXPJEWRIWOM-UHFFFAOYSA-N 292.448 3.554 30 20 CHED CCOc1cc(NCc2cccc(C#N)c2)ccc1C 610910949 VKMFLAKRCQYULY-UHFFFAOYSA-N 266.344 3.878 30 20 CHED CCn1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)c1 616129683 RFFSSAJTJSDMKR-AWEZNQCLSA-N 267.376 3.573 30 20 CHED C[C@@H]1[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CCC[C@H]1C 618807222 WGGUZNJENUGFEE-XLQHLMKVSA-N 268.404 3.960 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2cccc(C3CCC3)c2)C1 619615780 WJECLZOKWFPACH-GOSISDBHSA-N 282.387 3.720 30 20 CHED CCCC[C@H](C)C(=O)N[C@@H](C)c1cccc(C#N)c1 619697496 AYLGCGGNYFQJIP-STQMWFEESA-N 258.365 3.562 30 20 CHED C=C[C@@H](Nc1ccc(-c2ccccc2)c(C)c1)C(=O)OC 619702570 HNGBBTXJHBHLDA-QGZVFWFLSA-N 281.355 3.802 30 20 CHED C=CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)C(C)(C)C 622943933 XQGONHBBCUSSFY-UHFFFAOYSA-N 289.375 3.534 30 20 CHED C=CCOCCN1CCCC[C@H]1c1ccc(F)cc1F 645098676 DTAHCGXWSWZYGZ-INIZCTEOSA-N 281.346 3.694 30 20 CHED C=CCCNC(=O)Nc1cccc(CCC(F)(F)F)c1 666304439 UCFHWSAJTGDQAZ-UHFFFAOYSA-N 286.297 3.879 30 20 CHED CC(=O)c1ccc(Cl)c(NC(=O)CCCCCC#N)c1 675246784 NTADTBFCDWMVRZ-UHFFFAOYSA-N 292.766 3.955 30 20 CHED C=CC[C@@H](C(=O)N(C)CCOC(C)(C)C)c1ccccc1 681667117 IBBOSUHRMHUBCW-MRXNPFEDSA-N 289.419 3.620 30 20 CHED C=CCCOCC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 683459421 RLUTWXOMPBMHEA-HNNXBMFYSA-N 287.403 3.756 30 20 CHED N#CCCCc1nc(-c2cc(Cl)ccc2Cl)no1 723895000 LIFSSIVTPNHECB-UHFFFAOYSA-N 282.130 3.890 30 20 CHED C=CCCC(=O)OCc1csc(-c2ccc(F)cc2)n1 726652377 OHWTVLAJESEPDS-UHFFFAOYSA-N 291.347 3.959 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1 728439020 UKOMZIYBWOXONU-VQHVLOKHSA-N 270.303 3.990 30 20 CHED Clc1ccc(C=NNCCCc2ccccc2)s1 729146445 XLJOSSVJLRUYAH-UHFFFAOYSA-N 278.808 3.958 30 20 CHED CCc1ccc(C=NNCc2ccc(F)c(F)c2)s1 731150692 DGXDIWKTCDJKES-UHFFFAOYSA-N 280.343 3.712 30 20 CHED Cc1cc(C)c(C=NNc2ccc(F)cn2)cc1C 731321574 KWKWADJUXNNXBF-UHFFFAOYSA-N 257.312 3.592 30 20 CHED Fc1cc(F)c(NN=C/C=C/c2ccco2)cc1F 734302074 YLSYISNORXLYLO-WOPLEWHASA-N 266.222 3.808 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1ccc(OC)c(Cl)c1 734986790 NOSKNEOSHBDOCI-SECBINFHSA-N 284.812 3.600 30 20 CHED CCc1ccc([C@@H](C)CC(=O)OCCCCC#N)cc1 738685678 KAKCQZHKBWGZLP-AWEZNQCLSA-N 273.376 3.980 30 20 CHED CCOc1ccc(N(C)Cc2cc(C#N)ccc2F)cc1 739922162 AHHBKOCWIZVNPI-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=CCCOC(=O)c1ccc(Cl)c2cccnc12 740217628 KYONTSSLFVUZAC-UHFFFAOYSA-N 261.708 3.621 30 20 CHED C=CC[C@@H](NC(=O)N(CC(C)C)C(C)C)c1ccncc1 741409469 MCRVFLDWVMMJGE-MRXNPFEDSA-N 289.423 3.775 30 20 CHED CCOc1ccc(/C=N/CC(C2CC2)C2CC2)c(O)c1 743044559 LPPORJSHINRQPA-VCHYOVAHSA-N 273.376 3.646 30 20 CHED Cc1ccc(C)c(C=NNc2ccc(Cl)nc2)c1 743449957 CZQSIPOEFOVEGI-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C[C@@H](OC(=O)CCC(F)(F)F)c1cccc(C#N)c1 744099404 AYZNDQOXIZIGKA-SECBINFHSA-N 271.238 3.505 30 20 CHED C=C(C)CCOC(=O)Cc1cccc2ccccc12 744304891 GRRGMTDEWGEHIO-UHFFFAOYSA-N 254.329 3.892 30 20 CHED Cc1ccccc1[C@@H](NC(=O)C#Cc1ccccc1)C1CC1 747390592 VOMZWHHPKKNGIF-FQEVSTJZSA-N 289.378 3.614 30 20 CHED CC(=NNc1cc(C)ncn1)c1cc2cc(C)c(C)cc2o1 749165490 ZSYYLIUKUDWUOL-UHFFFAOYSA-N 294.358 3.984 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C)=C(C)C 751192780 RHOVLSABNVKRRB-UHFFFAOYSA-N 261.340 3.697 30 20 CHED Cc1nc2ccccc2c(=O)n1N=C[C@@H]1CCCC(C)(C)C1 752717370 FVOMWYWETFUFRC-CQSZACIVSA-N 297.402 3.755 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C\c1ccc2cc(OC)ccc2c1 753422928 YEEABKWGOFJJDR-GEZBDVBVSA-N 295.338 3.707 30 20 CHED C[C@H]1CC/C(=C/C(=O)Nc2ccc(Cl)c(C#N)c2)C1 753577275 MGISLHUJIVIGHL-QBQSQJOESA-N 274.751 3.897 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(N3CCCCC3)cc2)C1 753588600 YBMQEPBSSKJKSC-LJQANCHMSA-N 297.446 3.803 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@H](C(C)(C)C)C2)cc1 753589532 IUVQCSNMPYSMIM-ZBFHGGJFSA-N 286.419 3.845 30 20 CHED C#C[C@@H](CC)NC(=O)CC(c1ccccc1)c1ccccc1 754394134 QFRYFYPYJNCUHL-SFHVURJKSA-N 291.394 3.737 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cccc(Br)c1 755820549 IVQWDNLAWDJOSC-CYBMUJFWSA-N 298.180 3.716 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2ccc(F)cc2F)c1 757467571 GSQQKZBOJRQVRH-ZZXKWVIFSA-N 290.265 3.575 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)SCCCC)c1ccccc1 757576605 DTODONWOSIUQOF-ZBFHGGJFSA-N 289.444 3.789 30 20 CHED C#CC[C@@H](NC(=O)c1cccc(C)c1C)c1ccccc1 757618165 UMMSJTQPSRISKQ-GOSISDBHSA-N 277.367 3.798 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2O)s1 759092220 WZHMZPDTXUOWKR-FNORWQNLSA-N 289.312 3.566 30 20 CHED C#CCN(C(=O)C[C@H]1CC[C@H](C)C1)C1CCCCC1 759172479 UURDRZQUTIJDHX-GJZGRUSLSA-N 261.409 3.607 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1O 759712922 CHLGVQLTCQVWNW-AWEZNQCLSA-N 286.375 3.809 30 20 CHED CC[C@H](CC#N)NCc1ccc2c(c1)CCC(C)(C)O2 762795345 VEFSUEGIWBOTIL-OAHLLOKOSA-N 272.392 3.572 30 20 CHED CCCCNN=C(C)c1ccc(F)cc1Br 763169769 SYNGUMNLIVTQGE-UHFFFAOYSA-N 287.176 3.702 30 20 CHED CCOc1ccc(C#N)cc1NC/C(Cl)=C\Cl 763243473 YHSKXHIFDQOOOG-UXBLZVDNSA-N 271.147 3.688 30 20 CHED Cc1ccsc1C=NNCc1ccc(Cl)cc1 764719109 SULOFHBTJFWBKI-UHFFFAOYSA-N 264.781 3.834 30 20 CHED Cc1cc(OC(=O)[C@H]2CSc3ccccc32)ccc1C#N 765095238 UPELWMXFSJETBV-HNNXBMFYSA-N 295.363 3.662 30 20 CHED CCCCCCCCN1CC[C@H]2[C@@H](CCCN2C)C1 766124416 XTNYNWSNQHAMQP-IRXDYDNUSA-N 266.473 3.763 30 20 CHED N#Cc1ccc(C2=CCN(c3ccnc(Cl)c3)CC2)cc1 767299332 SNXYGYFBTOOMSF-UHFFFAOYSA-N 295.773 3.900 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1cscn1 769266135 VTHJECIUETXANR-BQYQJAHWSA-N 273.357 3.826 30 20 CHED C/C(C=NNCc1ccc(C#N)cc1)=C/c1ccccc1 769821453 XCQUXSULNAEGAP-PSAGUZBASA-N 275.355 3.737 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc(C#N)cc1F 772798145 SRZUUUOHOOKQSR-VURMDHGXSA-N 295.313 3.911 30 20 CHED COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1C 773123868 HDMMBYYYBGTQSC-FNORWQNLSA-N 296.322 3.628 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)c2ccc(N(C)C)cc2)c1 773905229 JUSKNEPVMVSUIP-CQLSMYGBSA-N 298.386 3.647 30 20 CHED C#CCCCOC(=O)c1sc(-c2ccccc2C)nc1C 773999585 UQNAPZXBQQZMJI-UHFFFAOYSA-N 299.395 3.997 30 20 CHED COc1cccc(C=NOC2CCCC2)c1OC(F)F 774608395 MCGAZDWBJRSAKH-UHFFFAOYSA-N 285.290 3.590 30 20 CHED Cc1cc(C(=O)O[C@H](C#N)C2CCCCC2)sc1C 776375586 IIGNJMGVFDMYMO-CYBMUJFWSA-N 277.389 3.994 30 20 CHED Cc1cccc(F)c1CN[C@H](C)c1ccc(C#N)c(F)c1 776741565 VRIUSVWOHMDZGO-GFCCVEGCSA-N 286.325 3.996 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCc2cocn2)cc1 777036665 MAADYQDXHSFXRR-LBPRGKRZSA-N 292.766 3.657 30 20 CHED FC(F)Oc1ccc(C=NNc2cc(Cl)ccn2)cc1 777913047 GYLCUGWSKSFWKN-UHFFFAOYSA-N 297.692 3.782 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C/c1ccccc1F 778985067 XYIXXMXWWVFOTC-MDZDMXLPSA-N 299.345 3.689 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CC[C@](O)(CC)C1 779535395 IBHIJSKBOWWTHQ-DOTOQJQBSA-N 298.471 3.539 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccc(C#N)o2)cc1 779824984 LORQKSGBIQDNHU-UHFFFAOYSA-N 267.332 3.895 30 20 CHED C#CCCCCCC(=O)Nc1cc(C)n([C@H](C)CC)n1 780031534 HBCJUDIWBBMEES-CYBMUJFWSA-N 275.396 3.685 30 20 CHED C#CCCCCCc1nc(COc2ccccc2F)no1 780369332 GSJWHLYAIRIKRQ-UHFFFAOYSA-N 288.322 3.524 30 20 CHED C[C@H]1CCCC(=NNc2nc3ccccc3[nH]2)[C@@H]1C 781116664 FXZMJXXKYWPQJC-WDEREUQCSA-N 256.353 3.787 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@@H](C)[C@H]2C)o1 781123625 YSFPMTFYPTZPJY-GHMZBOCLSA-N 274.368 3.894 30 20 CHED CC(C)(C#N)COC(=O)c1ccc2c(c1)-c1ccccc1C2 781477084 QWDRLLKWTXJSMV-UHFFFAOYSA-N 291.350 3.964 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1ccc(C(C)=O)cc1 782410610 XQWYFLIZEGLBNQ-HNNXBMFYSA-N 288.416 3.627 30 20 CHED O=C(/C=C\c1cc(Cl)cc2c1OCC2)c1cscn1 782889944 OSBZOYAEEUPWRH-UPHRSURJSA-N 291.759 3.628 30 20 CHED C=CCCCCCOC(=O)c1cc(F)ccc1[N+](=O)[O-] 783250008 PIFWXGRTCKDHBK-UHFFFAOYSA-N 281.283 3.637 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](F)C(C)C)c1ccccc1 784136393 ZWQZRWFOPBRDGF-HUUCEWRRSA-N 263.356 3.804 30 20 CHED CCCCCCCC(=O)NCC[C@H]1CCO[C@@H](C)C1 784375361 RFHKVFISPLBBOP-GJZGRUSLSA-N 269.429 3.668 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2cccc3cc[nH]c23)c1 786028428 VURHPCVBWOSZAO-XDHOZWIPSA-N 294.354 3.891 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C 788037879 DKQNUSATWSUYOG-HOCLYGCPSA-N 286.419 3.745 30 20 CHED C#CCC1(C(=O)N[C@H](C)COc2ccccc2)CCCCC1 788171258 JTTJQGUUXOKLLT-MRXNPFEDSA-N 299.414 3.544 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccc(Nc2ccccc2)cc1 788266147 UVKRBWVJIMRLQE-GOSISDBHSA-N 296.370 3.696 30 20 CHED C#C[C@@H](CCC)/N=C\c1c(O)ccc2ccccc12 790100658 XJNIIGFRBREOKX-HIXWQLQUSA-N 251.329 3.766 30 20 CHED CCCCCCCCNC(=O)N1CCSCC[C@H]1C 790432949 BSFVUHIDHRUIHB-CQSZACIVSA-N 286.485 3.884 30 20 CHED C#C[C@H](CCC)NC(=O)Cc1coc2cc(C)c(C)cc12 791205287 SAVDWKPLPNYCRI-OAHLLOKOSA-N 283.371 3.510 30 20 CHED CCOC(=O)[C@@H]1CCC(=NNCC2(C)CCCC2)[C@H](C)C1 793089074 DZGZZSYYMUAZRV-ZIAGYGMSSA-N 294.439 3.512 30 20 CHED C=CCCCCC[C@H](C)NC1CCN(CC(F)F)CC1 793528906 RJMGHUTYTJJWCJ-AWEZNQCLSA-N 288.426 3.831 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)COc2cc(F)ccc21 794727944 LGJMKPFNEJOYFA-KMKOMSMNSA-N 290.240 3.763 30 20 CHED C=CCCOc1cccc(F)c1C(=O)OCCCC 794729718 JTLFNNLCVYSISG-UHFFFAOYSA-N 266.312 3.738 30 20 CHED CCCC(CCc1ccccc1)=NNc1cncnc1 794977151 YQBTUJMXCQKUQJ-UHFFFAOYSA-N 268.364 3.677 30 20 CHED CC(=NNc1cncnc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 794977888 BWBWVORRVZUSGD-WDEREUQCSA-N 292.795 3.783 30 20 CHED C[C@@H](C#N)OCCS[C@H]1CCc2cc(Cl)ccc21 795382350 MGWQVZQTTQJTLV-HZMBPMFUSA-N 281.808 3.989 30 20 CHED C=C(CC)COC(=O)c1cc(C2CC2)cnc1Cl 796165277 FDDROGPACOHDTH-UHFFFAOYSA-N 265.740 3.735 30 20 CHED CSC1(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797568547 SWEJEGWGOMMFDH-VIFPVBQESA-N 294.445 3.512 30 20 CHED N#Cc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1OC(F)(F)F 799739178 RLJPEPUAHGZYMQ-KOLCDFICSA-N 295.264 3.561 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@H](C)CCCC 799948761 ZOKOVRRTLHHCPS-GFCCVEGCSA-N 277.339 3.603 30 20 CHED COc1cccc(/C=N/CC2CCC(F)(F)CC2)c1O 800721956 UZGXWNXEXDOBLA-VCHYOVAHSA-N 283.318 3.645 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2ccc(Cl)c(C(=O)O)c2)C1 800805126 JOBKMPYEGRPYCV-NXEZZACHSA-N 280.755 3.872 30 20 CHED C[C@H](C#N)OCCNc1ccc(-c2ccccc2)cc1F 802741355 WBTUQIGPUNWAHJ-CYBMUJFWSA-N 284.334 3.833 30 20 CHED C#CCCCC(=O)OCc1nc(-c2ccc(C)cc2)cs1 803471330 VWEYEGYBXJQSIH-UHFFFAOYSA-N 299.395 3.965 30 20 CHED C=C(CNC(=O)/C=C/c1ccsc1)c1ccccc1 805251011 KHBLFIKXRXCORP-BQYQJAHWSA-N 269.369 3.591 30 20 CHED Cc1ccc(CCOC(=O)CCCCCC#N)cc1 805695572 AERNSEWWDIWGJO-UHFFFAOYSA-N 259.349 3.555 30 20 CHED C=CCCc1ccccc1NC(=O)C1=C(C)OCCS1 807479498 QNHDLRNNCMDFDG-UHFFFAOYSA-N 289.400 3.739 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1SCC=C)C(C)(C)C 807877940 ATIJJCZWOUCQEF-OAHLLOKOSA-N 287.428 3.742 30 20 CHED Cc1cccc2cc(C(=O)OCC3(C#N)CC3)sc12 808631187 WGGVCJOFIJLQAU-UHFFFAOYSA-N 271.341 3.670 30 20 CHED C#CCSCCN[C@H]1CCCc2c1[nH]c1ccc(C)cc21 808707800 YZBUUMCYDLOTID-KRWDZBQOSA-N 298.455 3.810 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@H](c2cccnc2)C1)C(C)(C)C 809782193 JXHIOTILTFDYAU-UAGQMJEPSA-N 270.420 3.745 30 20 CHED C=CCCCCCCCNCc1c(C)nn(C)c1Cl 810160613 MTGDYCZXLIVKNI-UHFFFAOYSA-N 283.847 3.998 30 20 CHED C#CCC1(OC(=O)CCc2c[nH]c3c(C)cccc23)CCC1 810749719 QWFMLLWOKMBPRP-UHFFFAOYSA-N 295.382 3.898 30 20 CHED C=CCCCCOC(=O)Cc1nc(-c2ccco2)oc1C 811009986 FGPYUCKEQVKIHA-UHFFFAOYSA-N 289.331 3.685 30 20 CHED N#Cc1c(F)cccc1/C=C1/Oc2c(Cl)cccc2C1=O 811689917 PGEDADVHZYMYOK-VGOFMYFVSA-N 299.688 3.967 30 20 CHED C=CCCCCCCCNC(=O)N[C@@H](C)c1ccccn1 811853799 BPWQBECTNMAKKL-HNNXBMFYSA-N 289.423 3.968 30 20 CHED Fc1ccc(NN=CC2=Cc3ccccc3OC2)cc1 812377170 CETRXSAYZJGGSE-UHFFFAOYSA-N 268.291 3.699 30 20 CHED c1ccc2c(=NN=C3CC[C@H]3C3CCC3)cc[nH]c2c1 814841683 SUYAMJNJHUKHCU-ZDUSSCGKSA-N 265.360 3.635 30 20 CHED COc1ccc2nc(NN=C3CCOC3(C)C)c(C)cc2c1 814899166 JIKKIRQEWJAHGY-UHFFFAOYSA-N 299.374 3.519 30 20 CHED COCCN(C)N=C1CCCC[C@H]1C1=CCCCC1 814926429 RNIFXOJKKYIDHH-HNNXBMFYSA-N 264.413 3.611 30 20 CHED C#C[C@@H](NC(=O)N(C1CC1)[C@@H](C)C(C)C)c1ccccc1 820599558 NRELNYQHCBSAQG-WMLDXEAASA-N 284.403 3.579 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 820605558 OELVBNJAWAZSOF-OIISXLGYSA-N 284.403 3.581 30 20 CHED C=CCCSCCNC(=O)Nc1scnc1C(C)C 823700317 VFUVONRFIKVONR-UHFFFAOYSA-N 299.465 3.697 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)c1nccc(C)n1 823712644 ZCCMBAUVXUMEQN-AWEZNQCLSA-N 277.412 3.713 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)=C1CCC1 825481207 GSQDYTJQCZHTKP-UHFFFAOYSA-N 280.371 3.573 30 20 CHED C#CC1CCN(C(=O)N[C@H](CCC)c2ccccc2)CC1 825589992 IGZIGOGXHYTDOB-QGZVFWFLSA-N 284.403 3.583 30 20 CHED CC(=O)c1cc(C#N)ccc1NCCCCC(F)(F)F 834673046 LJJADIHJGBOPBE-UHFFFAOYSA-N 284.281 3.905 30 20 CHED C#CCO[C@H](C)c1nc([C@H](c2ccccc2C)C(C)C)no1 834737062 GHLMFJCUDONULQ-ZBFHGGJFSA-N 298.386 3.877 30 20 CHED C#Cc1cccc(CN[C@H](C)c2cc(C)oc2C)c1 834902589 JXZPHXTULBVAPW-CYBMUJFWSA-N 253.345 3.729 30 20 CHED C[C@H]1CC(=NOc2ccccc2C(F)(F)F)c2nccn21 834966400 HOCULRUCUXQESP-VIFPVBQESA-N 295.264 3.650 30 20 CHED CC(C)c1nccnc1NN=C1C[C@@H](C)CC[C@@H]1C 834976698 GWAVJAYWAHOXNN-RYUDHWBXSA-N 260.385 3.824 30 20 CHED COc1ccc([C@@H](C)C(C)=NN[C@@H](C)C(F)(F)F)cc1 835000657 LKLBXEYWRSJVJN-ONGXEEELSA-N 288.313 3.715 30 20 CHED C[C@]1(C=NN[C@H]2CCc3c(F)cccc32)CCCS1 835019761 AQXVDHJFYSYOLO-LSDHHAIUSA-N 278.396 3.674 30 20 CHED C=CC[C@H](C(=O)OCCc1ccc(C)cn1)c1ccccc1 835907318 RMASMTLYCYOVLA-SFHVURJKSA-N 295.382 3.836 30 20 CHED COc1ccc([C@@H]2CCCCCN2C(=O)C#CC2CC2)cc1 837319734 LAAPQFHEFZGONV-SFHVURJKSA-N 297.398 3.552 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1ccc(OC(F)F)cc1 837329018 JJUCLXVVAREVGF-NSHDSACASA-N 295.329 3.515 30 20 CHED C#CCC[C@H](C)OC(=O)C[C@H](C)c1ccc(OC)cc1 839037810 UUUFXOXIJZFLIX-KBPBESRZSA-N 274.360 3.534 30 20 CHED C#CCC[C@H](C)OC(=O)Cc1ccccc1C(F)(F)F 839038178 FZRGUUZLJKEGEZ-NSHDSACASA-N 284.277 3.593 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@H](C)Sc2ccccc21 839303860 PRBBJAPCWLYWJY-JTQLQIEISA-N 283.343 3.725 30 20 CHED COc1cccc(O)c1/C=N\CC1(c2ccccc2)CC1 839385856 GQSXZUJFEMAWBO-UNOMPAQXSA-N 281.355 3.552 30 20 CHED CC(=NOCc1ccccc1)c1ccc(N(C)C)cc1 839421592 KCPQQGYWJQPYIG-UHFFFAOYSA-N 268.360 3.693 30 20 CHED C=C(Cl)CN[C@@H](c1ccc(F)cc1)C(F)(F)F 839580992 WEZVQSIISDQXRA-JTQLQIEISA-N 267.653 3.771 30 20 CHED CC(F)(F)CC/N=C/c1cc(Br)ccc1O 840707854 SDXKTNKXLMEVNQ-VIZOYTHASA-N 292.123 3.619 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)Nc1nc(Cl)c(C#N)s1 841223499 MAFVKMBPZIOPAG-MRVPVSSYSA-N 297.811 3.823 30 20 CHED CC(C)c1ccoc1C(=O)Nc1nc(Cl)c(C#N)s1 841223948 RDUQYZWBTWOHTK-UHFFFAOYSA-N 295.751 3.637 30 20 CHED CC(=NNc1cccc(Cl)c1Cl)[C@H]1CCOC1 841646163 WXPXZLSMNURTCT-VIFPVBQESA-N 273.163 3.818 30 20 CHED CC(C)(C)OCCCCOc1cccc(OCC#N)c1 842110143 IRCSAICIQYSFIL-UHFFFAOYSA-N 277.364 3.563 30 20 CHED Cc1cc(SCOC(=O)C(C)(C)C)ccc1C#N 842632002 BLTAVXLTONTPLX-UHFFFAOYSA-N 263.362 3.506 30 20 CHED N#C[C@@H](C(=O)C[C@H]1C=CCCC1)c1nc(C2CC2)cs1 842946853 XRUGAZGGNYANQM-AAEUAGOBSA-N 286.400 3.943 30 20 CHED C=C[C@H](C)ONC(=O)/C=C(\C)c1ccccc1C(F)(F)F 846545265 FTCDJQAURQTNLS-USKTWTLRSA-N 299.292 3.731 30 20 CHED CN(CCCCC#N)c1ccc(-c2nccs2)cc1 846995078 XDEUWDJXGRKJTM-UHFFFAOYSA-N 271.389 3.940 30 20 CHED C=C(Cl)CNc1cccc(NC(=O)CCC)c1C 849314087 YJRQEEXWYKZUFA-UHFFFAOYSA-N 266.772 3.898 30 20 CHED O=C1/C(=C\c2ccc(C3CCC3)cc2)CCn2nccc21 853009239 GTLJGXFWJDNEMY-VBKFSLOCSA-N 278.355 3.821 30 20 CHED CSc1cc(C)c(C(=O)O[C@@H](C#N)C2CCCCC2)o1 853118962 RZQCXPHKLFYSQD-LBPRGKRZSA-N 293.388 3.939 30 20 CHED CO[C@H](C=NNc1ccc2ccccc2n1)C1CCCC1 853260030 APCRELCYSKJQBN-MRXNPFEDSA-N 283.375 3.838 30 20 CHED C#C[C@](C)(CC)NC(=O)CCCc1cc(C)sc1C 854698675 DLUGCVJRTLKFHH-MRXNPFEDSA-N 277.433 3.606 30 20 CHED CCCCCCCNC(=O)NCc1ccc(Cl)nc1 858111488 IAFKIFCAFUQQTE-UHFFFAOYSA-N 283.803 3.505 30 20 CHED C#C[C@@H](OC(=O)CC[C@H](C)SC)c1ccc(C)cc1 860964238 KYEWSYVZXOBGLN-DZGCQCFKSA-N 276.401 3.744 30 20 CHED C#CCC1(C(=O)N2C[C@H](C)C(F)(F)[C@H](C)C2)CCCCC1 862440312 ZWHPWCRVXNBBRG-OKILXGFUSA-N 297.389 3.710 30 20 CHED Cc1cccc(NN=C2CC(c3cccc(F)c3)C2)n1 863160334 ZTQFKLPQPOBEJL-UHFFFAOYSA-N 269.323 3.875 30 20 CHED COc1cc(C)ccc1/C=C1/CCc2scnc2C1=O 863198373 NFWCXLRNUFTHQC-WQLSENKSSA-N 285.368 3.673 30 20 CHED CC(C)(CNc1nc(C#N)c(Cl)s1)C1CCOCC1 896785066 JJXLUGGHSLMPGH-UHFFFAOYSA-N 299.827 3.533 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)C1CCCCC1 899345006 CVUDCHKCBNMNSZ-MDZDMXLPSA-N 258.365 3.771 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1ccsc1 899352566 LBHJNJFDSLCQIA-SNAWJCMRSA-N 258.346 3.566 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(-c2n[nH]c(C)n2)ccc1C 900953747 DWBZQDUMWDFMMT-UHFFFAOYSA-N 298.390 3.629 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccco1)c1ccccn1 902571673 LDMVLDDIRATUKM-CQSZACIVSA-N 284.359 3.810 30 20 CHED CC[C@H](NCc1cc(OC)ccc1F)c1cccc(C#N)c1 903059122 NEFZURQHNTVGIW-SFHVURJKSA-N 298.361 3.947 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1cc(COC(C)(C)C)on1 905954847 KSRCEFSEQBJUFW-LBPRGKRZSA-N 295.379 3.635 30 20 CHED N#CCC[C@@H](C#N)CSc1nc2cc(F)ccc2s1 905980763 FAQQSWKHYOAMEN-VIFPVBQESA-N 291.376 3.971 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@H](C)c1ccccc1 908635159 FPPLUHHXWGAZOB-DOTOQJQBSA-N 299.414 3.707 30 20 CHED Cc1cc([C@H]2CCCN2c2cccc(Cl)c2C#N)no1 913046925 CMPZEYBRGOQJGD-OAHLLOKOSA-N 287.750 3.850 30 20 CHED CCC(=O)c1ccc(OC(=O)c2cccc(CC#N)c2)cc1 915804584 JFMAXRAESVYJQK-UHFFFAOYSA-N 293.322 3.565 30 20 CHED CCC(C[C@H](C)CC)=NNc1ccc(Cl)nn1 915939094 HRXFMRUOOAFKGX-SECBINFHSA-N 254.765 3.744 30 20 CHED CCCCNN=C(C)c1ccc(Br)s1 915966551 WQGBDDLXAPKHNQ-UHFFFAOYSA-N 275.215 3.624 30 20 CHED FC(F)(F)c1ccc(CNN=Cc2ccsc2)cc1 915972446 NHRZYDZHECCCSI-UHFFFAOYSA-N 284.306 3.891 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1cn(C)nc1C 917540802 VCIAGRRVQKQNJC-UHFFFAOYSA-N 297.189 3.871 30 20 CHED CC/C=C(/C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 918573061 OZVACUHALKFMNL-NSIKDUERSA-N 270.376 3.904 30 20 CHED C[C@@H](C/N=C/c1ccccc1O)c1ccc(F)cc1 920177520 HNXXDVNSTCTDIK-HWQJWEFDSA-N 257.308 3.754 30 20 CHED COc1cccc(/C=N\CCC2=CCCCC2)c1O 920945237 SVKCECCUCVAIBA-ATVHPVEESA-N 259.349 3.710 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC=C(c2ccc(C)cc2)CC1 921146580 BKDATCFZZZMTKV-MRXNPFEDSA-N 299.414 3.592 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Cc2c(F)cccc21 921263472 DZJHDGJCBNBIHP-DHZHZOJOSA-N 283.258 3.556 30 20 CHED C=C1CC(c2noc([C@]3(C)CCOc4ccccc43)n2)C1 924122314 BWCILSBEOWGGFG-QGZVFWFLSA-N 282.343 3.592 30 20 CHED Cc1cccc2c1[C@H](NCc1cc(C#N)ccc1F)CC2 925475281 LFBGNFZTQRHKIJ-QGZVFWFLSA-N 280.346 3.783 30 20 CHED C=CC1CCN(C(=O)C2(Sc3ccccc3)CC2)CC1 1116358730 OORWRFPBOCTIEW-UHFFFAOYSA-N 287.428 3.736 30 20 CHED N#CCc1cccc(N2CCC[C@@H]2c2ccsc2)n1 1116636270 IVFRRLULJJXWMF-CQSZACIVSA-N 269.373 3.551 30 20 CHED Cc1ccc([C@@H](C)Nc2c(C#N)cccc2C#N)s1 1116798711 NWPKMNUBKLNIMP-LLVKDONJSA-N 267.357 3.973 30 20 CHED Cc1coc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c1C 1122505662 FDNOKAVXUQFTJC-GFCCVEGCSA-N 293.326 3.571 30 20 CHED Cc1sc(Cl)nc1C(=O)O[C@@H](CC#N)c1ccco1 1123370741 WGNMJZOFEOQHJX-VIFPVBQESA-N 296.735 3.510 30 20 CHED C=C(CC)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 1123730558 ULNMOOPLEOHGBM-SJORKVTESA-N 287.403 3.545 30 20 CHED Cc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)c(C)c1 1124224488 YFVKNBKZZRZJLC-MRXNPFEDSA-N 278.355 3.939 30 20 CHED N#Cc1cc(F)ccc1CN1CCCCCCCC1 1141167733 WZEPKJIVPTYJCC-UHFFFAOYSA-N 260.356 3.854 30 20 CHED Cc1cc(N2CCC[C@@H](Cc3ccccc3)C2)ncc1C#N 1166563832 VYTPDAFZCOJUMH-KRWDZBQOSA-N 291.398 3.721 30 20 CHED N#CCC1(CN2CCC(Cc3ccccc3F)CC2)CC1 1167653434 MLWQAWBRLNFLRE-UHFFFAOYSA-N 286.394 3.774 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1F 1219049531 AAPMGNCLYFOJPB-YPMHNXCESA-N 289.354 3.645 30 20 CHED C[C@H](C#N)CNc1nccc2c(Br)cccc12 1254423018 SCYWTGKXBMOJSD-SECBINFHSA-N 290.164 3.569 30 20 CHED C=CC(C)(C)CNC(=O)C1(Sc2ccccc2)CC1 1261273155 HVXRXJAAROZLRV-UHFFFAOYSA-N 275.417 3.640 30 20 CHED CCC[C@H](NC(=O)c1ccc(C)c(C#N)c1)C(C)(C)C 1273074985 NMNAXOSNPBRQPC-HNNXBMFYSA-N 272.392 3.811 30 20 CHED CC(Cc1ccccc1Cl)=NOCc1cccnc1 1319437572 AYVAVMORIJIING-UHFFFAOYSA-N 274.751 3.870 30 20 CHED C=CCCCCNC(=O)C(F)(F)c1ccc(Cl)cc1 1320354816 ZOXBOMPDLKCXRU-UHFFFAOYSA-N 287.737 3.904 30 20 CHED Cc1c(C#N)cccc1C(=O)NCc1cc2ccccc2o1 1321226093 WMGVGISUCXPQTR-UHFFFAOYSA-N 290.322 3.543 30 20 CHED N#CCOc1ccc(N[C@H]2CCC[C@@H]2CCCF)cc1 1321269325 TUUSJCDBTQQQPI-CJNGLKHVSA-N 276.355 3.919 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1cc(Cl)ccc1OC 1321711559 CQGGDJQFNBPHFO-MRXNPFEDSA-N 295.810 3.610 30 20 CHED C[C@H](Oc1ccccc1)c1nnc(-c2ccc(C#N)cc2)o1 1322511158 ZTFKPMHGFBGDPC-LBPRGKRZSA-N 291.310 3.748 30 20 CHED CCC[C@@H](C)Cc1nnc(-c2cccc(C#N)c2)o1 1322997755 WSQDSWDMFWQAKS-LLVKDONJSA-N 255.321 3.587 30 20 CHED C=C[C@@H](Cc1nnc([C@H]2CCCCO2)o1)c1ccccc1 1326119557 PFLVNLAJKSEZSR-DZGCQCFKSA-N 284.359 3.824 30 20 CHED C=CCN1CC[C@H](Nc2ccc(C)c(Cl)c2Cl)C1=O 1326979057 QXXYFUMUPDNTBF-NSHDSACASA-N 299.201 3.501 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)CCCC#N 1327658558 UOVVBQXVWRQXFA-RBSFLKMASA-N 264.413 3.505 30 20 CHED CC(=NNc1ccc(C#N)cn1)[C@@H]1CCCC[C@@H]1C 1330910206 JVNNGIKHGBYQOK-SMDDNHRTSA-N 256.353 3.567 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(O)c(Cl)c1 1336757902 BFSJTJUQHHLRFG-GFCCVEGCSA-N 279.767 3.616 30 20 CHED C[C@H](OC1CCCCC1)C(=O)OCCCCC(C)(C)C#N 1339343625 LGGRYJLISVVVAN-AWEZNQCLSA-N 295.423 3.987 30 20 CHED N#Cc1ccccc1OCc1nnc(C=C2CCCCC2)o1 1341308610 AJKNCLPQNXQUAN-UHFFFAOYSA-N 295.342 3.868 30 20 CHED C[C@@H](CCC(=O)OCc1ccc(C#N)cn1)c1ccccc1 1343754729 XPOJPFPEBKKBQP-AWEZNQCLSA-N 294.354 3.580 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(=O)CC)cc1 1347522812 RQKQXDBUNWJUGW-MRXNPFEDSA-N 285.387 3.850 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCc1ccc(C#N)cc1 1459512346 GTROBXLBAXPUFO-OLMNPRSZSA-N 268.404 3.754 30 20 CHED CCCOC1(CNC[C@H](C)CCC#N)CCCCC1 1462198343 DJKSCCALEISVSU-OAHLLOKOSA-N 266.429 3.645 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)C1CCCCCC1 1515021061 ZPOFVLPJWYWKOC-NSHDSACASA-N 276.405 3.708 30 20 CHED N#CC[C@@H](OC(=O)c1ccc2c(c1)CCC2)c1ccco1 1518002585 VLNCSVWJGDADDX-MRXNPFEDSA-N 281.311 3.580 30 20 CHED CCc1ccc([C@@H](C)C(=O)[C@@H](C#N)c2cccc(F)n2)cc1 1524703885 HDKVMFAHGHPOEV-DOMZBBRYSA-N 296.345 3.763 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C1[C@@H]2CCCCCC[C@@H]12 1530316289 MIMBFEOYSJVCKN-HUUCEWRRSA-N 290.451 3.991 30 20 CHED CCSc1cccc(F)c1NC(=O)c1ccc(C#N)o1 1534692935 IRSQUVZUIRVYAP-UHFFFAOYSA-N 290.319 3.655 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)Nc2cc(F)cc(C#N)c2)C1 1563171763 JHBCPRRSLWKCRD-RYUDHWBXSA-N 289.354 3.740 30 20 CHED C[C@H](Nc1ccccc1NC(=O)[C@H](C)C#N)c1ccccc1 1568983262 CJQSVKRAYIIRAU-KGLIPLIRSA-N 293.370 3.958 30 20 CHED C#CCCCCCCSc1ncc(C(=O)O)s1 1573302274 UEMKMSSOHWIACF-UHFFFAOYSA-N 269.391 3.517 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CC[C@](C)(C(=O)O)C1 1573840629 INPMBKHRPZVGLF-YOEHRIQHSA-N 297.439 3.696 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cc(Cl)ccc2C)n1 1585961260 BRFAJWCTBMUIIR-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CCC(=NNc1cccc(-c2nn[nH]n2)c1)C1CCCCC1 1590358890 JUZLKSUUDHFUEO-UHFFFAOYSA-N 298.394 3.625 30 20 CHED Cc1ccc(SCc2cccc(C(=O)O)c2C#N)s1 1600485294 JNOIVDROFUTDEW-UHFFFAOYSA-N 289.381 3.919 30 20 CHED N#Cc1c(CNc2cccc(Cl)c2)cccc1C(=O)O 1601081376 FXJJOCBZVZTKRC-UHFFFAOYSA-N 286.718 3.522 30 20 CHED C=C(C)CCSc1nc2ccc(C(=O)O)cc2o1 1602761004 PKNVPFNJPOGUHT-UHFFFAOYSA-N 263.318 3.584 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1ccccc1C1CC1 1610806683 RGQBBMSLPHFELQ-UHFFFAOYSA-N 298.317 3.847 30 20 CHED CC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1noc(C)n1 1612084325 MCSBWRPZFRLAMM-GFCCVEGCSA-N 299.378 3.505 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)c1cc2ccccc2o1 1617776752 UDSYSYFOSBIYCZ-OCCSQVGLSA-N 284.359 3.687 30 20 CHED CC[C@H](CNc1nccc(C)c1C#N)c1ccccc1 1639390788 VPESBSCICZJHDT-CQSZACIVSA-N 265.360 3.867 30 20 CHED Cc1ccc([C@@H]2CCCCN2c2ccnc(C#N)c2)cc1 1650798530 KNNYPEVMQNTBOA-SFHVURJKSA-N 277.371 3.993 30 20 CHED Cc1c(CNc2ncc(C#N)cc2F)oc2ccc(F)cc12 1651530180 FXSQWVSJNGNBQA-UHFFFAOYSA-N 299.280 3.898 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1c1ccnc(C#N)c1 1651957543 PHGLGFVUEBDFKI-KRWDZBQOSA-N 277.371 3.726 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)Oc2cc(F)ccc21 1653469155 HNOLFRRMSASQMJ-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED CC[C@@H](NCc1ccc(CC#N)cc1)[C@H]1CC1(C)C 1659059101 JJAUAFAEGPGMPD-HZPDHXFCSA-N 256.393 3.667 30 20 CHED CCC1(CC)CCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 1672775949 VLLJHLAOERGOSD-UHFFFAOYSA-N 285.391 3.911 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)[C@H]1CC1(C)C 1776088585 VZJQOBRPXLAXQO-GFCCVEGCSA-N 274.364 3.917 30 20 CHED C=CCCC[C@@H](NCc1ccc(C)c(C)c1C)C(=O)O 1776171061 BVEHELZRXAUCIN-MRXNPFEDSA-N 275.392 3.511 30 20 CHED CC1(C)CCC/C(=C\c2c(F)cc(C(=O)O)cc2F)C1=O 1776550785 HAFGVUXJESQLIT-RMKNXTFCSA-N 294.297 3.826 30 20 CHED Cc1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)s1 1777433862 FHAYJORHOQUGRP-ARJAWSKDSA-N 278.354 3.712 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/Cc1ccncc1 22726791 UPABVYHKWCFVAO-CAOOACKPSA-N 281.142 3.713 30 20 CHED N#C[C@@H](C(=O)c1cc2c(s1)CCCCC2)c1ccccn1 41493526 LQUNWIRVKFNCAE-CYBMUJFWSA-N 296.395 3.902 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)s1 49183532 ADWRAHQHSRDLLR-LLVKDONJSA-N 274.364 3.918 30 20 CHED C=CCn1c(SC(C)C)nnc1-c1ccc(OC)cc1 49536531 CBTBTIBNCPTNNM-UHFFFAOYSA-N 289.404 3.640 30 20 CHED Cc1ccccc1CSc1nnc(C)c(C)c1C#N 53278511 NHOLKOJMCPPPBT-UHFFFAOYSA-N 269.373 3.566 30 20 CHED C[C@H](OCCCNc1ccc(C#N)cn1)c1ccccc1 58489071 AFUHYOQVRANJOG-AWEZNQCLSA-N 281.359 3.533 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1ccccn1)c1ccc(F)cc1 65650456 BBSOJVKJGLGJSX-KUGGDMIFSA-N 280.302 3.500 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 71029050 OQMSJEFQFDYQSW-OAHLLOKOSA-N 276.424 3.745 30 20 CHED CCCCc1noc([C@@H](C)Sc2cc(C#N)ccn2)n1 77906018 CEGJIZZHBXZXNM-SNVBAGLBSA-N 288.376 3.532 30 20 CHED C=CCOCCCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 79783956 PMDQXRGDSPTPIC-GOSISDBHSA-N 299.414 3.648 30 20 CHED CC(C)[C@H](C#N)NC(=O)C1CCC(c2ccccc2)CC1 80165856 HADMJCVLEQARMK-JCYILVPMSA-N 284.403 3.625 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)o1 88191909 VUGHZUMPUXFRRY-UHFFFAOYSA-N 294.232 3.731 30 20 CHED C[C@@H]1CCCCC[C@H]1NCc1ccc(OCC#N)cc1 88506034 MDIRSHHHKWYUGL-RHSMWYFYSA-N 272.392 3.647 30 20 CHED C[C@@H](CC(=O)N(C)[C@H](C)CC#N)Cc1ccc(Cl)cc1 92895571 YSVIIWBKCUFNCB-CHWSQXEVSA-N 292.810 3.669 30 20 CHED CC(C)C(=O)Nc1cccc(NCc2cc(C#N)cs2)c1 93492474 URLYHKRWPVDOQF-UHFFFAOYSA-N 299.399 3.826 30 20 CHED CC(C)CC1(CNC(=O)c2cccc(C#N)c2)CCCC1 94877713 AGDJWFSKKSQISL-UHFFFAOYSA-N 284.403 3.895 30 20 CHED Oc1ccccc1/C=N\Cc1cccc(Br)c1 103010677 NQWOOLZOGTVVAI-YBEGLDIGSA-N 290.160 3.774 30 20 CHED N#Cc1c(F)cccc1Sc1ccc2c(c1)OCCO2 105790893 FINWSPFEVYVZJL-UHFFFAOYSA-N 287.315 3.620 30 20 CHED N#Cc1ccc(CCc2nc(C3CCCCC3)no2)cc1 109529418 CAYRCDOCPZZPKM-UHFFFAOYSA-N 281.359 3.774 30 20 CHED CC(C)[C@@H](CC(=O)Nc1ccc(C#N)cn1)c1ccccc1 110283964 WEGDIQJEFSGFBC-MRXNPFEDSA-N 293.370 3.722 30 20 CHED CC(C)c1ccccc1OCCNCc1cccc(C#N)c1 111407512 QDMXNZDEXPFOBP-UHFFFAOYSA-N 294.398 3.850 30 20 CHED N#Cc1ccc(NCc2ccc3c(c2)CCC3)c(F)c1 112012030 JCIQKJDDQMBLPT-UHFFFAOYSA-N 266.319 3.798 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc2ccccc2c1 117046040 GNGUDTBPTLJDTH-CYBMUJFWSA-N 268.360 3.604 30 20 CHED N#Cc1c(NC(=O)C2CC=CC2)sc2c1CCCCC2 119392411 WCCZEDBTKITBEW-UHFFFAOYSA-N 286.400 3.793 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ccc(C)cn2)c1 121468701 YPSIMHBQWBJVKV-UHFFFAOYSA-N 282.343 3.597 30 20 CHED Cn1ncc(Cl)c1/C=C/C(=O)c1coc2ccccc12 122704598 KPQBVHBZIBXDDT-VOTSOKGWSA-N 286.718 3.716 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2c(F)cccc2F)c1 128093141 VETFPGKNVMYNTC-BQYQJAHWSA-N 269.250 3.733 30 20 CHED Cc1ncsc1CNc1ccc(C(F)(F)F)c(C#N)c1 128762639 NFUWCZHCHPRLNE-UHFFFAOYSA-N 297.305 3.954 30 20 CHED N#Cc1cc(NCc2ccc(Cl)s2)ccc1[N+](=O)[O-] 131769205 DGNHFJWXFRSQJX-UHFFFAOYSA-N 293.735 3.793 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cc(C)c(C)o1 135115446 IFUIQRJWZKZLCE-UHFFFAOYSA-N 287.334 3.864 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCOC2(CCCCC2)C1 135254412 GPLAMIBMFMMTRN-HNNXBMFYSA-N 288.366 3.991 30 20 CHED C=CCN(C(=O)[C@@H]1OCCc2ccccc21)c1ccccc1 137117575 RYWSSEWOBQSNJS-GOSISDBHSA-N 293.366 3.520 30 20 CHED CCCCCCCCCCNc1cn[nH]c(=O)c1Cl 149722048 YMFRUFKXPLAXNA-UHFFFAOYSA-N 285.819 3.976 30 20 CHED Cc1nc(-c2ccc(OC[C@H](C#N)CCC#N)cc2)cs1 155000162 SAYKSJRJOQMUOL-ZDUSSCGKSA-N 297.383 3.941 30 20 CHED C=CCCCNc1cccc(OC[C@@H]2CCCO2)c1 157140750 DHEMKQLYUXKOOE-INIZCTEOSA-N 261.365 3.623 30 20 CHED C[C@@H](C(=O)Oc1ccc(C#N)cc1F)c1cccc(F)c1 158297224 FBPGBRIRQQTLQD-SNVBAGLBSA-N 287.265 3.546 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(CCC#N)CC2CC2)cc1 158872869 XOVYBRAHRTUZAD-OAHLLOKOSA-N 298.430 3.895 30 20 CHED C#CCOc1ccccc1CNc1ccc2nc(C)oc2c1 159012121 PYLKMZSCFWHYKT-UHFFFAOYSA-N 292.338 3.760 30 20 CHED CCSCCN(Cc1ccc(C#N)cc1)C(C)C 159768965 QYVZSZHIWWIWLI-UHFFFAOYSA-N 262.422 3.522 30 20 CHED C=CCN(C)C(=O)[C@H](SCc1ccccc1)C(C)C 161534906 ROFGNTBAKNLYAF-OAHLLOKOSA-N 277.433 3.589 30 20 CHED CC(C)CO[C@@H](C)c1noc(CSCCCCC#N)n1 161903360 GJYKOIOLBXGAAV-LBPRGKRZSA-N 297.424 3.730 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)c1ccc([N+](=O)[O-])c(C#N)c1 165305332 SXZCGWQHRZRCDG-NSHDSACASA-N 299.305 3.803 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)c2cccnc2)cc1 171440373 AZOCXRPZXMKKLU-FQEVSTJZSA-N 299.377 3.832 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(C#N)cc1 171683504 SMEQMVDXUZPSKJ-CYBMUJFWSA-N 291.354 3.709 30 20 CHED C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OCCCC#N 172425675 QEEFKOUWNMJXCE-NSHDSACASA-N 299.292 3.731 30 20 CHED CCCCC[C@H](C)CC(=O)N[C@@](C)(C#N)C(C)C 172946626 SBXLZCUDQDJZGF-ZFWWWQNUSA-N 252.402 3.647 30 20 CHED Cc1cccc([C@@H](C)S(=O)(=O)Cc2ccc(C#N)cc2)c1 173972460 ROAJPHWBXXHTDY-CQSZACIVSA-N 299.395 3.543 30 20 CHED C=C(C)CSCc1nc([C@H](C)OCC(C)C)no1 174254375 PTSASAIDDXLSCX-NSHDSACASA-N 270.398 3.613 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(OC(C)(C)C)cc1 177068268 VMSQYIVTBXWYCB-KRWDZBQOSA-N 288.391 3.532 30 20 CHED N#Cc1csc(CNC[C@H]2CCCc3ccccc32)c1 177682943 NCGBATPVMWCKFS-OAHLLOKOSA-N 282.412 3.829 30 20 CHED C[C@@H](CNCCCCC#N)c1cccc(Br)c1 179416002 KMGCISHLIINXEB-LBPRGKRZSA-N 295.224 3.836 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(C#N)cs1 179448360 TYGXZOVIWLTDDA-BZNIZROVSA-N 296.395 3.673 30 20 CHED CC[C@H](NCCCC#N)c1ccccc1OC(F)F 179724505 JAEWPZWUOHWMOD-LBPRGKRZSA-N 268.307 3.632 30 20 CHED CC[C@@H](NCCCSCC#N)C(C)(C)c1ccccc1 180010739 NZVXDJINHSKYKF-MRXNPFEDSA-N 290.476 3.979 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cccc3nccn23)c1 180313727 NVZZAWOQNPISRN-VOTSOKGWSA-N 276.339 3.847 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(-c2ccccc2)nc1C 180407865 QRIGFYFXMRMQBA-UHFFFAOYSA-N 280.371 3.705 30 20 CHED C[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1 181373068 SCZCUMQWWGYSCH-GFCCVEGCSA-N 254.308 3.548 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1SCCc2sccc21 182581721 LSENCPSIPBBURT-SMDDNHRTSA-N 295.473 3.940 30 20 CHED C=CCC[C@H](NCc1ncnn1CC(C)C)c1ccccc1 183109456 OVOQRYOTNYLHJD-KRWDZBQOSA-N 298.434 3.731 30 20 CHED C#CC[C@H](OC(=O)c1cc(C)nc2ccccc12)C1CC1 183129893 CFJJXZJRSPEEPU-KRWDZBQOSA-N 279.339 3.502 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc(F)c(Cl)cc1Cl 183867076 VTKZMOXUQWSOLN-ZETCQYMHSA-N 289.137 3.555 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)NCCCCC#N)CC1 184445512 KDJZMQIIAHIFOD-CABCVRRESA-N 279.428 3.584 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 185475585 IXIPJNMFLFBUQC-GOSISDBHSA-N 287.378 3.977 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1C[C@]1(C)C(C)C 186856623 KIYPTVNVAHWBBZ-DZGCQCFKSA-N 264.413 3.647 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCOC2(CCCCC2)C1 187701787 LSKQWFAPHZFRAJ-OAHLLOKOSA-N 284.403 3.654 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OC(C)C)cc1 188278257 JXTZYNOSOQLORH-KRWDZBQOSA-N 291.391 3.641 30 20 CHED CC#CCCCC(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 188620464 IPRKWZSJZSESGU-QGZVFWFLSA-N 287.359 3.716 30 20 CHED CC(C)c1ccc(C(=O)NCCCCC#N)cc1Cl 189248848 KCHXRNANENKZNW-UHFFFAOYSA-N 278.783 3.887 30 20 CHED C[C@H](SCCCc1cn[nH]c1)c1cccc(C#N)c1 190903798 CTIIVNZQTRDZBQ-LBPRGKRZSA-N 271.389 3.708 30 20 CHED CCCCCCCCS(=O)(=O)Cc1nc(C)cs1 190932320 WGGNXMIYTXOQCB-UHFFFAOYSA-N 289.466 3.727 30 20 CHED Cn1cc(/C=C/c2ccc3ccccc3n2)cc1C#N 191203167 WZEMNTUSKAPMRR-SOFGYWHQSA-N 259.312 3.615 30 20 CHED CCc1ccc(C(=O)/C=C/c2nccn2-c2ccccc2)o1 191317414 KMONZOZOGBUBPB-PKNBQFBNSA-N 292.338 3.924 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2cc(C#N)n(C)c2)C1 191386055 WMGBBYWQEVONNS-DOTOQJQBSA-N 293.414 3.583 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3ccccc3)nn2)CCC1 191919543 IEPVSYCOGOPLQS-UHFFFAOYSA-N 293.370 3.829 30 20 CHED C#CCCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 192056897 RSEJOTXHVKJQOO-CYBMUJFWSA-N 293.819 3.797 30 20 CHED COc1cc(O[C@@H](C)c2ccc(C#N)cc2)ccc1C#N 194734177 ZNYRIDBROVGKFP-LBPRGKRZSA-N 278.311 3.579 30 20 CHED N#Cc1ccc(OC/C(Cl)=C/Cl)c(Cl)c1 211274228 IQKUAVFVNOJOKF-YWEYNIOJSA-N 262.523 3.909 30 20 CHED C=CCSCCNCc1ccc2ccccc2c1 222064373 DFKHPASUJVPJPZ-UHFFFAOYSA-N 257.402 3.849 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1cc(Cl)cc(Cl)c1 227632858 BLSBIAQSBAWSJS-QMMMGPOBSA-N 286.162 3.617 30 20 CHED N#Cc1cc(COc2cccc(Cl)c2)ccc1F 229753368 ZOYRDWPUOCPIPV-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C[C@H]1CC[C@H](CNc2nc(Cl)c(C#N)s2)C1 230431056 ZUXVJKIZYANRFQ-YUMQZZPRSA-N 255.774 3.516 30 20 CHED CCCN(CCCCC(C)(C)C#N)CC(F)(F)F 233041994 URYQFJIZTBNGTF-UHFFFAOYSA-N 264.335 3.981 30 20 CHED C[C@@H](c1cccs1)N(C)c1nccc(C#N)c1Cl 235515519 OHHDYGISJOKIOX-VIFPVBQESA-N 277.780 3.866 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 250509717 OKWFWZKXAKNRJT-OWCLPIDISA-N 276.424 3.744 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc3ccccn23)c(C)s1 255512193 OQPCHUSDKBMUBX-SREVYHEPSA-N 282.368 3.909 30 20 CHED CC#CCCCC(=O)Nc1ccc(N2CCCCC2)cc1 274279571 KADYAAVNGGWXBJ-UHFFFAOYSA-N 284.403 3.809 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)C(C)C 275919382 XYVKUHBTETZLLG-UHFFFAOYSA-N 284.403 3.755 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2cccc(OCC#N)c2)CS1 276835687 BSTUOMPOWAKPGZ-DZGCQCFKSA-N 290.432 3.921 30 20 CHED Cc1nc(CC(C)C)c(NC(=O)CC(C)(C)C#N)s1 279102267 XJSBTMZUSYAUOR-UHFFFAOYSA-N 279.409 3.528 30 20 CHED CCCC[C@@H](C)C(=O)Nc1scc(C)c1C#N 288731070 GGWCMKYWIJEOCO-SECBINFHSA-N 250.367 3.693 30 20 CHED CC(C)(C#N)CCNc1ccccc1[C@@H](O)C(F)(F)F 288740940 PCLFXWYSHWHLPC-GFCCVEGCSA-N 286.297 3.634 30 20 CHED CN(CCC#N)C(=O)C1(Cc2cccs2)CCCCC1 289417464 VSVCHMHSCKMBJL-UHFFFAOYSA-N 290.432 3.613 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2sccc2C)cc1 290289700 YYDHSLBQGAINBA-CQSZACIVSA-N 284.384 3.614 30 20 CHED C=CCN(CC=C)C(=O)NC[C@H]1CCCCC(F)(F)C1 291893915 IIOPOUXALNDYNT-ZDUSSCGKSA-N 286.366 3.586 30 20 CHED C=CCCN(C)C(=O)NCc1cccc(SCC)c1 292046674 ITGSAYNXVWBVFV-UHFFFAOYSA-N 278.421 3.516 30 20 CHED CC[C@@H](NCCC1(COC)CCC1)c1ccc(C#N)cc1 293675788 JYIUAKMMTPISKV-QGZVFWFLSA-N 286.419 3.806 30 20 CHED N#CCc1ccc(COC(=O)C2(C(F)(F)F)CCC2)cc1 297064427 TXKCWHZYOUAFFN-UHFFFAOYSA-N 297.276 3.528 30 20 CHED Cc1ccc(OC(=O)[C@]2(C#N)CC23CCCC3)c(C)c1 297752462 HAYPMLSESBIPBJ-QGZVFWFLSA-N 269.344 3.683 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@H](C)c1cnccn1 297841701 KOUNTIOBBRUVEA-LLVKDONJSA-N 293.823 3.941 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1ccccc1OC(F)F 299696325 OKRPTLPPHHLCRM-QWRGUYRKSA-N 268.307 3.631 30 20 CHED CCO[C@@H](CCNc1ccc(C#N)cc1)C1CCCC1 301473276 LUKKVYGWKMRBOS-KRWDZBQOSA-N 272.392 3.956 30 20 CHED Cc1ccc(CN(c2cccc(C#N)n2)C2CC2)cc1C 301821739 GYUMFWRBSGHHDE-UHFFFAOYSA-N 277.371 3.739 30 20 CHED Cc1ccc2c(c1)CCN2c1snc(Cl)c1C#N 301963628 UVJZSSUPROHQSW-UHFFFAOYSA-N 275.764 3.671 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc(CC(C)C)cc1 302813035 GUOJAFADYLJRAM-UHFFFAOYSA-N 273.420 3.852 30 20 CHED C=CCN[C@H](c1cc(F)cc(Br)c1)C1CC1 309499880 LGQIRQKTXSBWPZ-ZDUSSCGKSA-N 284.172 3.815 30 20 CHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)s1 309839333 CJDDFKAHRFDPLT-OPRDCNLKSA-N 299.237 3.853 30 20 CHED C=CCC(C)(C)CN[C@H]1CCCc2ccc(O)cc21 311735078 RUYYCPRQOZIXAQ-INIZCTEOSA-N 259.393 3.962 30 20 CHED N#CCc1cccc(NCc2ccc3cc[nH]c3c2)c1 313413646 WNNAPCKMASNVRE-UHFFFAOYSA-N 261.328 3.846 30 20 CHED N#CCOc1ccc(NC(=O)c2coc3ccccc23)cc1 316166699 IUDXUUFDYIUWHF-UHFFFAOYSA-N 292.294 3.587 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cccc3ncccc23)CCC1=O 328930894 ZINZZGJIRVOKIX-NEPJUHHUSA-N 282.343 3.828 30 20 CHED CCc1csc(CC(O)=Nc2c(C)noc2C2CC2)n1 329946675 JRJAWSPCSABZEJ-UHFFFAOYSA-N 291.376 3.710 30 20 CHED CC1(NC(O)=Nc2cccc(OCCF)c2)CCCC1 330951405 DPXSPYJUTYXMQK-UHFFFAOYSA-N 280.343 3.503 30 20 CHED CC(=O)Nc1ccc(/C(O)=N/CC2CCCCC2)cc1F 331221373 UWHPOZCSYPOGDU-UHFFFAOYSA-N 292.354 3.669 30 20 CHED Cc1ccc(/C(O)=N/[C@]2(C)CC=CCC2)cc1[N+](=O)[O-] 331310804 BVFZZBOOESZGEP-OAHLLOKOSA-N 274.320 3.707 30 20 CHED N#Cc1ccc(CC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 332485622 NOGNQRUFICPIJX-KZNAEPCWSA-N 296.414 3.576 30 20 CHED Cc1ccc2ncc(C#N)c(O[C@H]3C[C@H](C)CCC3=O)c2c1 333710931 PVUSZQBSTIHGLE-PXAZEXFGSA-N 294.354 3.551 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(c3ncccc3Cl)CC2)C1 334366622 JHUPCYGTBHYVON-TZMCWYRMSA-N 289.810 3.607 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1CC2CCC1CC2 334819008 SUGHVFOEYCIXOM-SSDMNJCBSA-N 268.360 3.517 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cscn1 334923900 WSPQBXCJEMZDRJ-XHDPSFHLSA-N 283.400 3.743 30 20 CHED C=CCC1(C(=O)N2CCC[C@H]3CCCC[C@H]32)CCOCC1 335119656 GEQQSXAYZWNVOO-HZPDHXFCSA-N 291.435 3.541 30 20 CHED CSc1cccc(NC(=O)c2ccc(C#N)c(C)n2)c1C 336384150 ODVMGYUHRLAHTH-UHFFFAOYSA-N 297.383 3.544 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccs1 336455187 LSFHQULVDVMKPV-GJZGRUSLSA-N 296.395 3.660 30 20 CHED CCC1CCC(N(C)CCCC2(C#N)CCOCC2)CC1 337186056 OSGXCBMTOCQAPI-UHFFFAOYSA-N 292.467 3.988 30 20 CHED Cc1c(C#N)cccc1C(=O)N1Cc2ccccc2[C@H]1C 337793162 CZPKGCZHIOCBTF-CYBMUJFWSA-N 276.339 3.584 30 20 CHED CCOCc1cccc(NC(=O)c2cccc(C#N)c2C)c1 337818816 PUNJTRKYHWYHSG-UHFFFAOYSA-N 294.354 3.656 30 20 CHED C=CCn1c(C2CC2)nnc1N1CC(C)(C)CC(C)(C)C1 337851466 JMDCENAPAFQJMB-UHFFFAOYSA-N 288.439 3.604 30 20 CHED CCOc1ccc(NC(=O)c2ccc(F)c(C#N)c2)c(C)c1 340874459 HELIVMFBGPMRMW-UHFFFAOYSA-N 298.317 3.657 30 20 CHED C=C1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 341990645 DMYSDYBYVSWMOC-ZDUSSCGKSA-N 292.810 3.627 30 20 CHED N#Cc1ccnc(Oc2ccc(-n3cccn3)cc2)c1Cl 342385634 SVKRXJQMSUPIQP-UHFFFAOYSA-N 296.717 3.585 30 20 CHED Cc1cccc(CCCNc2cc(Cl)ccc2C#N)n1 343231766 AOKVRUGIQWQJIJ-UHFFFAOYSA-N 285.778 3.960 30 20 CHED C=CCN(Cc1cn(C(C)C)nc1C)c1ccccc1 343629749 YFGJGXKEXKIFPQ-UHFFFAOYSA-N 269.392 3.965 30 20 CHED Cc1ccc(C[C@H](C)C(=O)NCC(C)(C)CCC#N)cc1 345883857 KNKSFIHZSBXLKD-HNNXBMFYSA-N 286.419 3.620 30 20 CHED CCC(CC)[C@H](CCNc1nc(C)ccc1C#N)OC 346855446 VFYOHPLJSVPGFI-HNNXBMFYSA-N 275.396 3.515 30 20 CHED CCC(CC)CN(CCC#N)CC1(SC)CC1 347784897 MGIUXRMZSMHCOY-UHFFFAOYSA-N 254.443 3.534 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)c1c(F)cncc1F 353218025 JCDHAODATLQMGE-NSHDSACASA-N 281.350 3.730 30 20 CHED N#CCCCN[C@H](Cc1cccnc1)c1ccc(Cl)cc1 354956933 BHENJNLTTKIULD-QGZVFWFLSA-N 299.805 3.912 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(-n2cccc2)c1 357348681 RLEINONHJDPCPV-UHFFFAOYSA-N 291.354 3.717 30 20 CHED CC[C@@H]1CC[C@@H](C)N1Cc1cn2ccccc2c1C#N 357525665 FIXKRTPDRPEDQI-UKRRQHHQSA-N 267.376 3.574 30 20 CHED Cc1nc(N2CCC=C(c3ccco3)C2)c(Cl)cc1C#N 359966517 PLAGHCCSGVVOKU-UHFFFAOYSA-N 299.761 3.802 30 20 CHED COC1(c2noc([C@@H](C)c3cccc(C#N)c3)n2)CCCC1 361264513 ZHCLCNQHGKQNJV-LBPRGKRZSA-N 297.358 3.509 30 20 CHED N#Cc1ccc(CN2CCCC3(CCCC3)C2)cc1F 361848694 BKKDNNPJKAPLPW-UHFFFAOYSA-N 272.367 3.854 30 20 CHED Cn1cc(/C=C/c2ccncc2C#N)c(-c2cccs2)n1 367501198 VWFIDCBEAQDNAR-SNAWJCMRSA-N 292.367 3.586 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2ccsc2)nc1C 369487927 KHTIEIOVMDXLBW-UHFFFAOYSA-N 292.791 3.601 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@@H](c3ccco3)C2)cc1 371332933 RZGHQGMBNFRHJJ-GDBMZVCRSA-N 296.370 3.560 30 20 CHED C[C@@H](Nc1cccc2c1OCCC2=O)c1cccc(C#N)c1 372921578 DIUWCFITDIZGKW-GFCCVEGCSA-N 292.338 3.697 30 20 CHED CC[C@@H](C)[C@H](CNc1cccc(Cl)c1C#N)OC 381303344 RIORIEDUQHNXPW-YGRLFVJLSA-N 266.772 3.685 30 20 CHED C=C(C)CCN[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 387405805 LTWKFYKBNDFFMB-GJZGRUSLSA-N 296.455 3.578 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Cl)c(Cl)nc1C 393816099 HTHATQHBLSWQTP-VIFPVBQESA-N 287.190 3.781 30 20 CHED N#CCc1ccc(CNc2cc(F)c(F)cc2F)cc1 399254190 YWYUYUCVQRZZMP-UHFFFAOYSA-N 276.261 3.782 30 20 CHED C=C(C)CN(CC)C[C@H]1CCC2(CCCCC2)O1 409445455 INADJTKNOBXXJJ-OAHLLOKOSA-N 251.414 3.766 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@@H]1C 409713239 VXVFUKNBNMEEGZ-GXTWGEPZSA-N 278.421 3.634 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)c1cccc(Cl)c1 410831079 XTELHSIAPFNCOO-FZMZJTMJSA-N 278.783 3.594 30 20 CHED C[C@H](O)CN(CCC1(C#N)CCCCC1)c1ccccc1 411286326 ABDSVWMYGZFTSJ-INIZCTEOSA-N 286.419 3.738 30 20 CHED C=CCCCCCN1C[C@H](O)C[C@@H]1c1ccccc1 411926164 OZPSLBKUJMUCMO-IAGOWNOFSA-N 259.393 3.541 30 20 CHED C=CCCCC(=O)N1CC(c2cccc(Cl)c2)C1 412390394 VVPMQBUSGJNOEH-UHFFFAOYSA-N 263.768 3.622 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)s1 412822889 MFUGFJUSPJPMKR-NWDGAFQWSA-N 276.405 3.564 30 20 CHED COc1ccc([C@@H](C)CCNc2ncc(C#N)cc2F)cc1 413155333 CBURVHIUOOCNLQ-LBPRGKRZSA-N 299.349 3.707 30 20 CHED CC(C)(CC#N)CNc1ccc(C#N)cc1Br 413417649 ZJSZREOGPIMTAX-UHFFFAOYSA-N 292.180 3.673 30 20 CHED CC(C)(CC#N)CN[C@H]1CC2(CCC2)Oc2ccccc21 414172553 WDFLHXGSHFFALD-HNNXBMFYSA-N 284.403 3.962 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1=CCCCCC1 416092068 BFQKRUGYOQAXGE-SFHVURJKSA-N 294.398 3.942 30 20 CHED C/C=C/c1ccc(NC(=O)NCC2(C#N)CCC2)cc1 417126956 ZYUSTWZVPPWJPP-DUXPYHPUSA-N 269.348 3.535 30 20 CHED C=CCOCCSC[C@H](OC)c1ccc(Cl)cc1 419483801 BQXDRCXCDZIJPT-AWEZNQCLSA-N 286.824 3.963 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1CC1(C#N)CCC1 421012443 IHNIUXJZDSZATN-MRXNPFEDSA-N 268.404 3.948 30 20 CHED C=CC[C@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 433280553 CJTMJDPCRKTRIN-XHDPSFHLSA-N 274.364 3.871 30 20 CHED CO[C@H](CN(C)CC(C)(C)C#N)c1ccc(Cl)cc1 433299585 BYZXHDNYFBQNNL-CQSZACIVSA-N 280.799 3.509 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H](C)CC=C)c1ccccc1 435108952 QCHISDMDDRQIJG-HOCLYGCPSA-N 272.392 3.958 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(Cl)cc1F 435898093 NQQAFLBFOGZNBK-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccccc1)C1CC1 436312537 KPJSWHNIPYWXNO-KURKYZTESA-N 271.404 3.709 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C)cc(OC)c2O)n1 436566034 OTMNLKLRIYNFJF-UHFFFAOYSA-N 288.347 3.613 30 20 CHED Fc1ccc(C#CCN(Cc2ccccc2)C2CC2)cc1 438060616 IIJAULJQQFIEQL-UHFFFAOYSA-N 279.358 3.842 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnn([C@@H](C)CC)c1C 439404731 BCPFTBARHIRUNO-AAEUAGOBSA-N 278.400 3.639 30 20 CHED Cc1ccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccn2)cc1 442878156 SMUUPAMMPWNWLI-SUMDDJOVSA-N 291.398 3.761 30 20 CHED N#Cc1cnc(N2CCCC3(CCCC3)C2)c(Cl)c1 445673415 PDKRFGDQXMKEDY-UHFFFAOYSA-N 275.783 3.767 30 20 CHED CCOc1ccccc1CCNC1CCC(C)(C#N)CC1 449136479 VELTYSJZTWANJL-UHFFFAOYSA-N 286.419 3.690 30 20 CHED C=CC[C@H](C)NC1CCC(OC2CCCC2)CC1 449147119 FJJXPMUBTMRQOI-HLIUYOAVSA-N 251.414 3.811 30 20 CHED C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)(F)F 449413596 JQDNKOSEDSKSQI-QMMMGPOBSA-N 292.251 3.710 30 20 CHED Cc1nc(SCC2(C#N)CCC2)n(CC(C)C)c1C 450707021 AFTSWONBLAOGOG-UHFFFAOYSA-N 277.437 3.942 30 20 CHED N#CC1(CN2CCC[C@H]2/C=C\c2ccccc2)CCC1 450710142 PMCAAABDNMGCIX-IBSYWUHOSA-N 266.388 3.858 30 20 CHED C=CCCCS(=O)(=O)N[C@@H](C)c1cccc(C2CC2)c1 451586426 IENIDILDXRFDGM-ZDUSSCGKSA-N 293.432 3.511 30 20 CHED C=CCC[C@@H](N[C@@H](C)Cc1cnccn1)c1ccccc1 453180433 VSSJPDUUXSPKRF-MAUKXSAKSA-N 281.403 3.705 30 20 CHED CC[C@H](N[C@@H](C)c1nccn1CC)c1ccc(C#N)cc1 453353205 NNOJQVUSCQBYNM-BBRMVZONSA-N 282.391 3.577 30 20 CHED C=CCC[C@H](CO)N[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 453364122 QYMHCABQJOZULQ-RDTXWAMCSA-N 298.430 3.770 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCC(F)(F)C2)CCCCC1 456362426 HEOPJNCZXTXAMB-GFCCVEGCSA-N 271.351 3.817 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CC#N)c2)C1 457003323 NMOKSPJNTYEFSU-OFQRWUPVSA-N 284.403 3.697 30 20 CHED C=C(C)CCNC(=O)N(Cc1cccs1)C(C)C 459003630 OTDNYQLQHHFYEZ-UHFFFAOYSA-N 266.410 3.634 30 20 CHED CC(C)c1ccc(C[C@H]2CCN(CC3(C#N)CC3)C2)cc1 460969087 JVQQZRZARWMIGP-QGZVFWFLSA-N 282.431 3.978 30 20 CHED CCC[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462196929 RYPCSUUCZIMNHG-LSDHHAIUSA-N 284.403 3.700 30 20 CHED COc1ccccc1[C@]1(C)C[C@@H]1Nc1ccc(F)cc1C#N 462869852 IIRDVJRQLOTIBT-ROUUACIJSA-N 296.345 3.848 30 20 CHED CC(C)CN(C(=O)[C@@H](C)C(F)(F)F)c1ccc(C#N)cc1 463596314 ZVUUGRJCPOWNDJ-LLVKDONJSA-N 298.308 3.746 30 20 CHED C[C@@H](OC1CCCCCC1)C(=O)N[C@](C)(C#N)C(C)(C)C 464159115 QPSIANCIMIYUIH-CXAGYDPISA-N 294.439 3.559 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 464541984 YHNLMLNFRRVMEO-SFHVURJKSA-N 269.388 3.756 30 20 CHED CCCCOc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 464716720 WOEALAWEOMTLOA-HNNXBMFYSA-N 288.391 3.534 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 465149821 VKPLZAIQUHBTDA-JSGCOSHPSA-N 274.408 3.756 30 20 CHED C=CC[C@@H](C)NC(=O)NCC1(Cc2ccccc2)CCC1 466508473 FXSOJFLOPNXGRA-OAHLLOKOSA-N 286.419 3.663 30 20 CHED CC#CCCCC(=O)N1c2ccccc2CC[C@@H]1CC 466865168 BGLLWBXFJLGTMP-INIZCTEOSA-N 269.388 3.938 30 20 CHED CCCC1(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)CCC1 467896758 AUKCOILBRRQIAL-CQSZACIVSA-N 299.418 3.889 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](COc3ccccc3)C2)CC1 476630663 LJXBCIPVSRUAIP-INIZCTEOSA-N 299.414 3.660 30 20 CHED CC#CCCNC(=O)N1CCCCC[C@@H]1c1ccccc1 483422231 WKYUPSKWFQDXHK-QGZVFWFLSA-N 284.403 3.727 30 20 CHED N#Cc1cccc(C#N)c1N1CC[C@H](c2cccc(F)c2)C1 486467508 JPDWCTYVKPGEFK-INIZCTEOSA-N 291.329 3.563 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1F 488863779 SYPZYRKXRGWRQV-NSHDSACASA-N 267.731 3.660 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1sc(C)c(C)c1C 489477029 NOFLZYMPGREUIP-CQSZACIVSA-N 292.448 3.652 30 20 CHED C=CCC(C)(C)CNC(=O)c1ncsc1C(C)C 489795283 IUIOTXRQELKDEX-UHFFFAOYSA-N 266.410 3.599 30 20 CHED CCC[C@H](C)N(C)Cc1cc(C#N)ccc1Br 492560260 OLAPQRYDTKBADQ-NSHDSACASA-N 295.224 3.941 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1csc(CC)n1 495027413 SENQHFLMJXMDHZ-RYUDHWBXSA-N 293.436 3.517 30 20 CHED C[C@@H](C1CCCCC1)N(C)CCCC1(C#N)CCOCC1 499722770 ZICCPFUIGBOFLV-INIZCTEOSA-N 292.467 3.988 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)CC1CCCCC1 508493909 NBSBHFVCLSPPSI-UHFFFAOYSA-N 276.428 3.604 30 20 CHED C=CCSCCNC(=O)[C@H](c1ccccc1)[C@H](C)CC 508884161 XWTTWIHBLANRQR-ZBFHGGJFSA-N 291.460 3.852 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](CCC)NC(C)C)CCCC1(C)C 509094831 QUMXVWNBLKNJQH-CVEARBPZSA-N 294.483 3.746 30 20 CHED C=C(CNC(=O)N(CC)[C@@H](C)C(C)C)c1ccccc1 512665452 FROTZXWWIJPILL-HNNXBMFYSA-N 274.408 3.776 30 20 CHED CC1(C)CCC(C(=O)NCC#Cc2cccc(F)c2)CC1 513202776 UKQBKIRJQCIHJC-UHFFFAOYSA-N 287.378 3.510 30 20 CHED C=CCCCCN[C@@H](c1ccc(F)cc1)c1cnn(C)c1 515366731 PERRCRGHSLIHLZ-KRWDZBQOSA-N 287.382 3.595 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2cccnc2C#N)CC1 515931643 OPTTVCKAXKUUGR-IBGZPJMESA-N 291.398 3.901 30 20 CHED CCC[C@@H](C)C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 517804148 BRWGBPOTAMYSPP-CZUORRHYSA-N 272.392 3.708 30 20 CHED N#C[C@H](C(=O)c1ccc(C2CCCC2)cc1)c1ccncn1 518449517 PBQPKTWYKCCVFU-INIZCTEOSA-N 291.354 3.624 30 20 CHED CC(C)(C)c1cccc(OCCNc2cc(C#N)ccn2)c1 520442349 YYIWSHLJEDMEQW-UHFFFAOYSA-N 295.386 3.742 30 20 CHED C=CCSCc1csc(-c2ccc3c(c2)OCO3)n1 522282733 FZRWOQFHLXQTHD-UHFFFAOYSA-N 291.397 3.958 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)cc1C 523987131 WIYQRTFSGOGVAH-CYBMUJFWSA-N 276.380 3.868 30 20 CHED N#Cc1cccnc1Nc1ccc(OCC(F)(F)F)cc1 530664005 OMKWPWFRBVGKBZ-UHFFFAOYSA-N 293.248 3.638 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@H](C)c1ccc(C#N)cc1 534138507 SJZHPLCPWFGWAY-CHWSQXEVSA-N 272.392 3.808 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCCC[C@H]1CC 537197065 IZSABRLRLLEIPK-HZPDHXFCSA-N 281.440 3.834 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)C1CC1 537933407 WLMGYNLMYXHBLC-RYUDHWBXSA-N 293.769 3.760 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cc(Cl)sc1Cl 539298267 QMMQVYAUFOLEST-RKDXNWHRSA-N 294.247 3.890 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ccccc1C 539390023 JCBPBDPTSJEKKK-HNNXBMFYSA-N 274.408 3.881 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C 539844990 KNVLBDAPMMBHDI-SWLSCSKDSA-N 295.810 3.824 30 20 CHED CC1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCCC1 540882385 CIYZDGUQHWZPKR-UHFFFAOYSA-N 276.767 3.522 30 20 CHED CCn1c(-c2ccc([N+](=O)[O-])s2)nc2cc(C#N)ccc21 542017220 KFJFLSKITFWYOH-UHFFFAOYSA-N 298.327 3.565 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C)(C)CC1 549271643 NUZSVGYGKKLRHE-CQSZACIVSA-N 290.455 3.994 30 20 CHED C=CC[C@@H](C)N[C@H](COC)c1cccc(Cl)c1 554989081 VEKVFLZKGCVDPB-BXUZGUMPSA-N 253.773 3.582 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2cc3ccccc3s2)C1 556232308 IODUTPGZHCINFP-OCCSQVGLSA-N 270.401 3.726 30 20 CHED Cc1cc(N(C)[C@@H](C)c2ccc(F)cc2)cc(C#N)n1 561112596 PICFMJJIQGBCFM-LBPRGKRZSA-N 269.323 3.598 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CC[C@@H]1C1CC1 562040261 XCQKFUSYASREAI-HZPDHXFCSA-N 257.377 3.530 30 20 CHED C[C@H]1CC[C@H](C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 567991092 IUHBVQRQPNYZCT-XIRDDKMYSA-N 284.403 3.974 30 20 CHED CCCC[C@H](S[C@H](C#N)c1ccccc1)C(=O)OC 568270437 FJFMVRNHYINFRP-UONOGXRCSA-N 277.389 3.716 30 20 CHED Cc1cc(CN2CCC(CCC#N)CC2)c(C)s1 569840578 HRHIGMGNZQYAOJ-UHFFFAOYSA-N 262.422 3.881 30 20 CHED N#Cc1cc(F)cc(OCCc2ccc(F)c(F)c2)c1 569958614 KDRPCVRSFXCJSK-UHFFFAOYSA-N 277.245 3.597 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CC[C@H](C)CC)cc1 572077132 UESVFNTVMLZKCU-CZUORRHYSA-N 272.392 3.756 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 574673305 HZWWLFAWCLJVTE-LEUOFYLZSA-N 296.414 3.756 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC=C(c2ccccn2)C1 578481443 SBTILRYGZBPUHL-HNNXBMFYSA-N 289.382 3.804 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2scc(C)c2C#N)CC1 580960910 ZHGGWQTUHNNULF-LBPRGKRZSA-N 291.420 3.972 30 20 CHED Cc1cc(OCc2noc3c2CCCC3)c(C)c(C)c1C#N 586237606 LQMVDXFOQDLVBD-UHFFFAOYSA-N 296.370 3.929 30 20 CHED C=CCCC(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 588102175 SQTNZJJOSCZHGN-QGZVFWFLSA-N 271.404 3.742 30 20 CHED C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CCCCCC#N 588160454 SCRXQGBYHDEEEL-SJLPKXTDSA-N 298.430 3.940 30 20 CHED C/C(=C/C(=O)OCC1(C#N)CCC1)c1cccc(Cl)c1 588477936 JOUNMTARFRPODH-WQLSENKSSA-N 289.762 3.980 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccccc2C#N)s1 588618535 YNFDHZDXTVAGLU-HJWRWDBZSA-N 253.326 3.824 30 20 CHED Cc1nn(-c2ccccc2)cc1NC(=O)CCCCCC#N 588672092 CZCICJCGHOOUPH-UHFFFAOYSA-N 296.374 3.593 30 20 CHED C=C(C)COc1cccc(NC(=O)C[C@H]2C=CCC2)c1 589381975 GUFIFIBXLXVSES-AWEZNQCLSA-N 271.360 3.936 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)CCCC1CC1 589787158 HTMCYZHTJFBDIM-GOSISDBHSA-N 284.403 3.598 30 20 CHED N#CCN(C(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(Cl)cc1 592649328 CYMVPIWBVZGNHH-FICVDOATSA-N 288.778 3.633 30 20 CHED CCCN(C(=O)[C@@H](C#N)CC)[C@H](CC)c1ccccc1 593425668 NJOMGGQBPDGRNV-GDBMZVCRSA-N 272.392 3.926 30 20 CHED Cc1ccc(-c2ccc(CCN(C)C)cc2)cc1CC#N 593951768 IRCKSHPPSFZHKX-UHFFFAOYSA-N 278.399 3.832 30 20 CHED CCc1ccc(C)nc1NCc1ccc(C#N)c(F)c1 594742012 IXAWKVCFTZPVNW-UHFFFAOYSA-N 269.323 3.575 30 20 CHED C=CCCSCCNCc1cccc2[nH]ccc12 594959712 AOPQAFSTBPITKE-UHFFFAOYSA-N 260.406 3.567 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC1(SC)CCN(C)CC1 595053155 WEIHYPSZXYRVMX-HOTGVXAUSA-N 296.524 3.538 30 20 CHED C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](CC#N)C1 595613427 CQAMJACIQONTEP-OLZOCXBDSA-N 294.345 3.975 30 20 CHED CC[C@](C)(C#N)NC(=O)C1CC(C)(C)CC(C)(C)C1 597035634 HZDWVEMNWLSFCU-MRXNPFEDSA-N 264.413 3.647 30 20 CHED Cc1cccc(CCNC(=O)CC2(C#N)CCCCC2)c1 597037734 CREBQDWIZUTLLJ-UHFFFAOYSA-N 284.403 3.518 30 20 CHED CCN(C(=O)c1sc2ccc(F)cc2c1C)[C@H](C)C#N 598355458 CSAFEAKNNRKTGF-SECBINFHSA-N 290.363 3.723 30 20 CHED CCN(C(=O)C[C@@H](c1ccccc1)C(C)C)[C@H](C)C#N 598357709 BBAIGMHMRYIJBG-GDBMZVCRSA-N 272.392 3.577 30 20 CHED CC(C)c1cccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c1 598826149 ZUMUIKDHNGIQPX-KRWDZBQOSA-N 272.392 3.868 30 20 CHED CCC[C@@H](C(=O)Nc1nc(C)cc(C)c1C#N)C(C)C 598856016 BJKIOKYDOHALAF-CYBMUJFWSA-N 273.380 3.581 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)CCc2ccc(C#N)cc2)C1 600225790 ALBBBHNVISKOLA-UHFFFAOYSA-N 298.430 3.918 30 20 CHED Cc1ccc(CN(C(=O)CCCC#N)C(C)(C)C)cc1 602380933 XXLKCSPLJJSHRP-UHFFFAOYSA-N 272.392 3.816 30 20 CHED CC(C)N(Cc1ccccc1F)C[C@H](C)CCC#N 602438488 CYDWLCIRZFQXIC-CQSZACIVSA-N 262.372 3.976 30 20 CHED Cc1cccc2c(CCNC[C@H](C)CCC#N)c[nH]c12 602552136 SZGOBKMWGAMODR-CYBMUJFWSA-N 269.392 3.548 30 20 CHED C[C@H](CC#N)NC(=O)c1cc2c(Cl)cccc2s1 604573763 GQMFUQVHXXEYGR-MRVPVSSYSA-N 278.764 3.587 30 20 CHED C=CCCCN(C)[C@@H](c1cccc(F)c1)c1cnn(C)c1 606432531 IRUVHSDYZOUMRX-KRWDZBQOSA-N 287.382 3.547 30 20 CHED N#Cc1ccccc1OCCN1CC[C@H]1c1cccc(F)c1 610504921 IHXVMXBKEXRJAJ-KRWDZBQOSA-N 296.345 3.523 30 20 CHED CCCCc1nc(CN2CCC[C@](C)(C#N)C2)cs1 612154809 GDEXGYGRMGIIDI-OAHLLOKOSA-N 277.437 3.611 30 20 CHED C=CCCN(C)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 613842767 VQWDZESEPPDJMD-DLBZAZTESA-N 271.404 3.680 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1nc(C(C)C)c(C)s1 617247494 HOEIAMQIVLHKQH-HNNXBMFYSA-N 296.436 3.742 30 20 CHED Cc1csc(COc2ccc(C(F)(F)F)c(C#N)c2)n1 619266313 NERLBCZRSFVLNX-UHFFFAOYSA-N 298.289 3.921 30 20 CHED N#Cc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl 619746529 BHSIHUNCCFQUSP-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)ccc1C(F)(F)F 622953485 JZYYQFXRJUATRI-MFKMUULPSA-N 299.292 3.543 30 20 CHED C=CCC1(NCc2oc(CC)nc2C)CCCCC1 625934249 GOJGNUOTPOQLEM-UHFFFAOYSA-N 262.397 3.914 30 20 CHED Clc1ccc(C#CCN2CC[C@H](c3cccnc3)C2)cc1 645982279 ZMOAEDHCOUNXIJ-KRWDZBQOSA-N 296.801 3.576 30 20 CHED C=CCCN(C)[C@@H](CO)c1cccc(Cl)c1Cl 661639212 PLMSHOPDXSFMNM-LBPRGKRZSA-N 274.191 3.535 30 20 CHED C=CCCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 665945265 DJMYZWGORKVNBP-OCCSQVGLSA-N 276.380 3.647 30 20 CHED C=C(CNC(=O)C[C@@H]1CCC[C@H]1C)c1ccccc1 672481066 JLVILIMBKMKWPQ-CJNGLKHVSA-N 257.377 3.642 30 20 CHED C=C(CNC(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1 672667397 BTZVJKPGEGQZRC-CJNGLKHVSA-N 272.392 3.578 30 20 CHED C=CCCCCCNC(C)(C)C(=O)Nc1ccccc1 683784651 LTIMUTOHNCBSJI-UHFFFAOYSA-N 274.408 3.740 30 20 CHED CC(C)(C)CSCCC(=O)Nc1cccc(C#N)c1 718812705 LZOCPNLABRHJGN-UHFFFAOYSA-N 276.405 3.666 30 20 CHED CC[C@H](C)C(C)=NNc1nc(-c2ccccc2)no1 726739394 KVXIPAULHTXVNJ-JTQLQIEISA-N 258.325 3.571 30 20 CHED C#CCCOC(=O)c1ccccc1OCc1ccccc1C 727042610 MYTDLDPPXZXDTC-UHFFFAOYSA-N 294.350 3.754 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)c1ccccc1 730434412 LOFDQRGGZNSAHN-ZSAINHDTSA-N 255.317 3.581 30 20 CHED C#CCOc1cccc(OC(=O)[C@H](C)c2ccccc2F)c1 731327931 IHXNVUWHOFRFJP-CYBMUJFWSA-N 298.313 3.547 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)C=C1CCCCC1 732104213 HUPYPQZFLHEYTB-IBGZPJMESA-N 296.414 3.908 30 20 CHED Cc1cccc2c1C/C(=C\c1cnn(C(C)C)c1)C2=O 732713730 GHXVOEOACRLAPT-VGOFMYFVSA-N 266.344 3.595 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCc1ccc(C#N)cc1 734056755 SRDBYHSHYRFHFK-CYBMUJFWSA-N 271.360 3.818 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)Cc2cc(F)ccc21 734305099 ICVYELRIGMRJDW-WDZFZDKYSA-N 274.241 3.926 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@@H](CC)C1)c1ccncc1 734680945 WTACFOPVRDEZMC-ZBFHGGJFSA-N 287.407 3.530 30 20 CHED CC(=O)Nc1ccsc1C=NNc1ccccc1Cl 735409142 RSWXQHWGBVPRPL-UHFFFAOYSA-N 293.779 3.806 30 20 CHED C=CCCCOC(=O)CSc1ccccc1Cl 735524238 LCEXJOXMSPQQNY-UHFFFAOYSA-N 270.781 3.942 30 20 CHED CCOc1ccc(C=NNc2c(F)cccc2F)cc1 735615410 OUQQVFVCGQWPNC-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C=CCN(C(=O)N[C@H](Cc1ccccc1)C1CC1)C(C)C 737066870 LOLQRCRXHOYVNJ-QGZVFWFLSA-N 286.419 3.614 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1Cl)C1CC1 741162213 BERRWRRBLPSSBV-UHFFFAOYSA-N 267.716 3.836 30 20 CHED CCc1nnc([C@H](C)ON=C(C)c2cc3ccccc3o2)o1 742352394 PYSLDXDOEBYCJQ-NSHDSACASA-N 299.330 3.880 30 20 CHED Cc1ccc([C@H](C)C(=O)O[C@@H](C)c2cccc(C#N)c2)o1 744100889 HMFLYPBQDKTXSE-STQMWFEESA-N 283.327 3.868 30 20 CHED CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCC1(CC#N)CC1 744276219 DIEXXFVVZQXAAN-ZNMIVQPWSA-N 293.407 3.597 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1ccccc1 745625167 TZYBRVGIJBIICT-UHFFFAOYSA-N 268.320 3.506 30 20 CHED C=CCN(Cc1noc(C2CCCCC2)n1)C(C)C 746449833 IEEMGERLRNUOHD-UHFFFAOYSA-N 263.385 3.514 30 20 CHED C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)[C@H](C)c1ccccc1 746815361 HVBYJULAJLQNDT-PWONOCEESA-N 298.342 3.912 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc(Cl)nc1 747765331 ZFONRXOJZHBTSD-LLVKDONJSA-N 251.761 3.959 30 20 CHED Clc1ccc(NN=Cc2ccc(Cl)nc2)cc1 748778269 HQXUAKAKGHNLBM-UHFFFAOYSA-N 266.131 3.834 30 20 CHED COc1cccc2cc(C(C)=NOCC(C)C)oc12 749630913 CRPXQJDJSVNRRM-UHFFFAOYSA-N 261.321 3.838 30 20 CHED CN1CCc2cc(/C=C/C(=O)C3CCCCC3)ccc21 751523008 MMXAEWXWFBMGQW-CSKARUKUSA-N 269.388 3.842 30 20 CHED C[C@H](C(=O)OCC#Cc1ccc(F)cc1)c1ccccc1 751988035 RUMCUXAYVYYXNH-AWEZNQCLSA-N 282.314 3.524 30 20 CHED CCc1ccc(C(C)=NNc2cc([N+](=O)[O-])ccc2C)o1 752165789 UKBSRYYBRCPIEU-UHFFFAOYSA-N 287.319 3.895 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@@H]2CCCCS2)cc1 753731333 NFBWTAUIGFPDEX-PBHICJAKSA-N 289.444 3.635 30 20 CHED C[C@@H]1CC/C(=C/C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 753804234 ZMKWVGLMIQHBNV-RGXVFGMQSA-N 280.327 3.750 30 20 CHED C#CC(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 754003121 LHNVBNINWIOYTJ-AWEZNQCLSA-N 279.339 3.707 30 20 CHED CC(=NOC1CCOCC1)c1cc2ccc(C)cc2o1 754972347 FHOZFERBEWHGKX-UHFFFAOYSA-N 273.332 3.661 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1ccccc1C#N)C2=O 755599338 AEHRZSXBNPSTIF-YBEGLDIGSA-N 284.318 3.642 30 20 CHED CCn1nc(C)c(C=NNc2cccc(Cl)c2F)c1C 755671859 BOLPDQLKENMWQX-UHFFFAOYSA-N 294.761 3.758 30 20 CHED C(=NNc1cccc2ccccc12)C1CCOCC1 755681156 UTKSGBOWDUWJGK-UHFFFAOYSA-N 254.333 3.664 30 20 CHED CCc1nn(C)c(CC)c1C=NNc1c(C)cc(C)cc1C 755749117 GBALFLQITRHZHY-UHFFFAOYSA-N 298.434 3.916 30 20 CHED Cc1ccc(C=NO[C@@H]2CCCCO2)c(Br)c1 755821191 ZGMPQOBLKWUWQX-CYBMUJFWSA-N 298.180 3.635 30 20 CHED Cc1ccoc1C=NNc1nc(C(F)(F)F)cs1 755904962 QINMAGWPQUPPEA-UHFFFAOYSA-N 275.255 3.509 30 20 CHED C#CCOCCC(=O)O[C@@H](CC)c1c(F)cccc1Cl 756581298 VRDHQZNABOVPFO-ZDUSSCGKSA-N 298.741 3.513 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)c1ccccc1C 756901454 QMQZIEUTROMKMX-UHFFFAOYSA-N 298.342 3.538 30 20 CHED C#CC[C@@H](NC(=O)NCc1ccccc1C)c1ccccc1 757057830 LPTOVULYDUYENY-GOSISDBHSA-N 292.382 3.559 30 20 CHED CC1(C)CCC/C(=C\c2ccc(C(=O)O)cc2)C1=O 757533651 GJGKHZCGVDKPON-JLHYYAGUSA-N 258.317 3.547 30 20 CHED CC[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N 758122358 RDRVIOOAEHDUKZ-MRVPVSSYSA-N 271.238 3.532 30 20 CHED CC(=NNc1cc(C)ccc1F)c1scnc1C 759666829 VQOKUEUQCBMBOU-UHFFFAOYSA-N 263.341 3.735 30 20 CHED C=CCCC(=O)COC(=O)C[C@H](C)CC(C)(C)C 761381806 MMDMSJZIHZBAKX-LBPRGKRZSA-N 254.370 3.527 30 20 CHED CC[C@H](C)NN=Cc1csc(Cl)c1Cl 761832177 XFQXJVFDWDROPN-LURJTMIESA-N 251.182 3.777 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(CC)cc1OC)OCC 761838098 ZHXYFMPYOMXHLE-HNNXBMFYSA-N 292.375 3.534 30 20 CHED C#CCCc1noc(-c2ccc3ccc(Cl)cc3n2)n1 762016314 MJFKIVKZEXEDKJ-UHFFFAOYSA-N 283.718 3.504 30 20 CHED Fc1ccccc1CCNN=C/C=C\c1ccccc1 764718140 UNXYPVUXADGMDP-LKRACKODSA-N 268.335 3.657 30 20 CHED C[C@H](NN=Cc1ncccc1C(F)(F)F)c1ccccc1 765570502 CARBXGGGXDUIOO-NSHDSACASA-N 293.292 3.785 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)Cc1ccc(-n2cccc2)cc1 765630562 ZQGFMFRPMSBJIA-INIZCTEOSA-N 296.370 3.501 30 20 CHED CC(C)Oc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 765928970 QRAYAXJZGMHQJD-GDBMZVCRSA-N 272.392 3.646 30 20 CHED CCCCCCCCN1CC[C@@H]2[C@H](CCCN2C)C1 766124413 XTNYNWSNQHAMQP-IAGOWNOFSA-N 266.473 3.763 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](CC)Cc1ccc(Cl)cc1 767075797 ABPRSTOQBZUGKN-OAHLLOKOSA-N 291.822 3.827 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCCc2sccc21 767121722 RESKZDUOQFFKJA-AWEZNQCLSA-N 275.417 3.825 30 20 CHED Cc1ccc(C=NOCC(F)(F)F)cc1Br 767901209 QJTHEIFZWNEXFL-UHFFFAOYSA-N 296.086 3.670 30 20 CHED N#Cc1ccc(CC(=O)OCCCCc2ccccc2)cc1 768037689 KGLMRBLMALBIMG-UHFFFAOYSA-N 293.366 3.667 30 20 CHED CCCCCCCC(=O)Nc1cccc(-n2ccnn2)c1 768386902 OZKDIRNKGSFLAW-UHFFFAOYSA-N 286.379 3.566 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)/C=C/c1ccccc1C#N 768935294 XASKPUPFZQBVRL-XAZATZFJSA-N 296.414 3.999 30 20 CHED N#Cc1ccc(CC(=O)O[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 771012807 WIEZYPVFCVSFNT-YESZJQIVSA-N 283.371 3.613 30 20 CHED C/C(=C/C(=O)OCc1cccc(C#N)c1F)C(C)(C)C 774961116 PNDSXASCXLSQJH-FLIBITNWSA-N 275.323 3.733 30 20 CHED COc1ccc(Cl)cc1/C=C\C(=O)c1ccncc1 776188178 JZGDZGDMGJODPH-RQOWECAXSA-N 273.719 3.640 30 20 CHED COc1cccc(OC)c1/C=C1\CCCC(C)(C)C1=O 776190406 VKASDHFGPKBFHB-VAWYXSNFSA-N 274.360 3.866 30 20 CHED N#C[C@H](OC(=O)CCCC(F)(F)F)C1CCCCC1 776400381 WDNRYMUIQDRDTR-NSHDSACASA-N 277.286 3.735 30 20 CHED C=CCN(C)C(=S)Nc1ccc(Cl)c(Cl)c1 777471778 ODADMAQDPNHQMH-UHFFFAOYSA-N 275.204 3.808 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2cc(Cl)ccn2)C1 777906650 ZCEQZMJWTKGNJS-MNOVXSKESA-N 251.761 3.959 30 20 CHED N#CC1(COc2ccc(-c3ccccc3)cc2C=O)CC1 777925079 YCELPDSJOUGQKK-UHFFFAOYSA-N 277.323 3.849 30 20 CHED C=CC[C@H](C(=O)Nc1n[nH]c2ccccc12)c1ccccc1 778412996 DKMKKXYSILWQQF-AWEZNQCLSA-N 291.354 3.861 30 20 CHED CSc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)ccn1 779205468 ZANKDCONWPIYCJ-NSHDSACASA-N 298.367 3.593 30 20 CHED CCC(=NNc1ccc2[nH]ncc2c1)c1ccccc1F 779819687 WYGRFOPCMUEGOD-UHFFFAOYSA-N 282.322 3.928 30 20 CHED CC(C)(C#N)COC(=O)c1ccc(-c2ccco2)s1 781476010 GKLZAGMUGGXTLI-UHFFFAOYSA-N 275.329 3.715 30 20 CHED Fc1cc(NN=Cc2ccc(SC(F)F)cc2)ccn1 781594879 JVWCXFFMDNCLLH-UHFFFAOYSA-N 297.305 3.981 30 20 CHED COc1cc(C(C)=NNc2ccc(Cl)cc2)ccn1 782098138 QNAHLDLEWWBQHT-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2scnc2C2CC2)cn1 782327535 LIECRDMAZSRNSE-WAYWQWQTSA-N 287.388 3.694 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1cscn1 782352550 VKZSMUHZIQTDOD-RQOWECAXSA-N 266.325 3.587 30 20 CHED Cc1cc(CSC2=N[C@@H](C)CS2)ccc1C#N 783175121 KHXMHKCVKQJLQP-JTQLQIEISA-N 262.403 3.591 30 20 CHED C[C@]1(c2ccccc2)CC[C@H](NCc2ccc(C#N)cn2)C1 783294277 NOSUMOKEAAOWPN-HKUYNNGSSA-N 291.398 3.553 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ncnc2sccc12 783815960 ILFGJOHVSMZPEG-MNOVXSKESA-N 274.393 3.915 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1nc2ccccc2n1C 783829246 ZOIWLUDELWCSOZ-STQMWFEESA-N 270.380 3.797 30 20 CHED Cc1ccc(CC(=O)OCc2ccc(C#N)cc2Cl)cc1 784191233 LCMDLOPRNOJCBJ-UHFFFAOYSA-N 299.757 3.806 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2CC=CCC2)c(Cl)c1 784192453 DTFDOQNLTHPPLC-LBPRGKRZSA-N 275.735 3.611 30 20 CHED C#CCCCCNC(=O)N1CCCC2(CCCCC2)CC1 786788557 FYLLTFKSTPGQNX-UHFFFAOYSA-N 290.451 3.936 30 20 CHED C#CCC1(C(=O)Oc2ccc(C)cc2OC)CCCCC1 788431518 RWGUNJPEBGNBOY-UHFFFAOYSA-N 286.371 3.883 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCc2ccc(Cl)nc21 788812605 COEXAVDUMBEYSM-NEPJUHHUSA-N 250.773 3.667 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)Cc1ccc(C(C)C)cc1 791064967 NMLTXCDRALVKQA-KRWDZBQOSA-N 286.419 3.753 30 20 CHED CCCCCCCCC(=O)N1C[C@H](C2CC2)O[C@H](C)C1 791836341 RGLZJRJSBMDZAG-GDBMZVCRSA-N 281.440 3.763 30 20 CHED Cc1ccccc1[C@H](C)N(CCO[C@H](C)C#N)CC(C)C 792923194 BJWKQTUVNOTMIG-SJORKVTESA-N 288.435 3.943 30 20 CHED Fc1cncnc1NN=C1CCC(c2ccccc2)CC1 793217798 LBRTYNJNNXKNEL-UHFFFAOYSA-N 284.338 3.741 30 20 CHED C#Cc1cccc(NC(=O)NCCCc2ccccc2F)c1 793465662 XRRQAYGCVSUFGA-UHFFFAOYSA-N 296.345 3.561 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]1[C@H]1CCCO1 793483622 OAXHFPKBPSMIHZ-HZPDHXFCSA-N 281.440 3.907 30 20 CHED C[C@H](ON=Cc1cccc(F)c1)c1cccc(C#N)c1 794716733 XPQMLFJVZKXEQV-LBPRGKRZSA-N 268.291 3.809 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccnc(F)c1 794720128 CYHZGXGAERVLPV-HYXAFXHYSA-N 259.255 3.564 30 20 CHED CC(C)(C)CCNN=C1CCC[C@@H]1c1ccccn1 794929066 NYGCLFBYMVLTEF-CYBMUJFWSA-N 259.397 3.731 30 20 CHED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1cccnc1 795982133 QLKCQQLYLVUPMY-GOEBONIOSA-N 294.354 3.773 30 20 CHED CC(C)(C)[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 796576096 RSPNCMVWLRNNHC-MRXNPFEDSA-N 286.419 3.847 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1cnc2ccccc2c1 796807521 ZEGTVRGBQHRMNH-NSHDSACASA-N 292.294 3.617 30 20 CHED C=C(C)CCOC(=O)c1cccc(F)c1SC 797952826 ZDZRRUBDPQVRJU-UHFFFAOYSA-N 254.326 3.671 30 20 CHED N#CC1(NC(=O)/C(F)=C\C2CCCCC2)CCCCC1 798244291 XQZJHBYSHOWYPC-SDNWHVSQSA-N 278.371 3.763 30 20 CHED Cc1cc(OC(=O)c2ccc(C)c(C#N)c2)ccc1F 799352272 QOGZAUUJIISLEW-UHFFFAOYSA-N 269.275 3.533 30 20 CHED CSC1(C=NNc2ncc(Cl)cc2Cl)CC1 800806860 IHFSGGSBIOGDRM-UHFFFAOYSA-N 276.192 3.682 30 20 CHED CCCCc1nc(CSCCO[C@H](C)C#N)cs1 802749901 RDHIHKJSBBKCOK-LLVKDONJSA-N 284.450 3.648 30 20 CHED CCCCCCCCC(=O)NC[C@H]1CCOC[C@@H]1C 804617891 MKTLHERWTYROPG-LSDHHAIUSA-N 269.429 3.526 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCO[C@@H](CCC)C1 805220583 XBUOPQDLAUDQRZ-HOTGVXAUSA-N 281.440 3.834 30 20 CHED C=CCCCCCCNC(=O)Cc1ccc(C)c(OC)c1 805220586 XDAPFACRGXIMHB-UHFFFAOYSA-N 289.419 3.799 30 20 CHED C=CCCCCCCCCNC(=O)N1CCC(C#N)CC1 806083416 YXPIXZWIUUOZGV-UHFFFAOYSA-N 291.439 3.848 30 20 CHED FC(F)(F)c1cscc1C=NO[C@H]1CCCCO1 811645822 CXVFSDBVMUTADB-JTQLQIEISA-N 279.283 3.644 30 20 CHED Cc1ccc(CC(=NNC[C@H]2CCSC2)C2CC2)cc1 811660306 KHNHRJOZHPRBOO-OAHLLOKOSA-N 288.460 3.646 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(F)cc1Cl 811667708 BKSPSRIFNKLDPS-QHFDXLHDSA-N 262.111 3.972 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)cc1O 811698764 NHVIZCXFPIITMX-DUXPYHPUSA-N 290.265 3.575 30 20 CHED Cc1nn(C)c2cc(N=Cc3cc(Cl)ccc3O)ccc12 812444202 AQRVCZZSPPARMU-UHFFFAOYSA-N 299.761 3.991 30 20 CHED C/C(=C/C(=O)Nc1ccc(C#N)c(F)c1)c1ccc(F)cc1 813259183 VTKISYCITXGZAN-FLIBITNWSA-N 298.292 3.878 30 20 CHED Cc1nc(Cl)cc(NN=CCC2CCCCC2)n1 814855215 HWRKCCVMHIVFFU-UHFFFAOYSA-N 266.776 3.807 30 20 CHED Cc1cccnc1NN=C1CC(c2ccccc2)C1 814911577 OCYYJBCEFGRDON-UHFFFAOYSA-N 251.333 3.736 30 20 CHED Cc1cc(C=NNc2ccc(F)c(F)c2F)cc(Cl)n1 814945368 WLUADNCDLJMJJO-UHFFFAOYSA-N 299.683 3.907 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(c3cccc(F)c3)CC2)C1 815058757 SENKMXUQVYWMQH-DYVFJYSZSA-N 272.367 3.697 30 20 CHED CN(C)c1ccc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 815093650 PSTJDJAFIGNGAA-BEFAXECRSA-N 297.446 3.624 30 20 CHED C=CCC(F)(F)C(=O)N1CCCc2cc(F)cc(C)c21 815658045 QVLCMBZSVAGUCB-UHFFFAOYSA-N 283.293 3.625 30 20 CHED C=C(C)CN(CC)Cc1cc(Cl)c(F)cc1O 816481121 JTPAYRCBKOTXHL-UHFFFAOYSA-N 257.736 3.583 30 20 CHED Cc1cccc(NN=Cc2cccc3cccnc23)c1 818200090 YPJKAEDJPOXLBD-UHFFFAOYSA-N 261.328 3.989 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1ccccc1 819430304 CQKSNHXLRLVACO-OIISXLGYSA-N 269.388 3.694 30 20 CHED N#C[C@@H]1CCCC(=NNc2cc(Cl)nc(Cl)c2)C1 819828750 OZBROJDJDMWLLR-MRVPVSSYSA-N 283.162 3.870 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C/c2cccc(C#N)c2)c1 821017780 OANIEPALAWZAFW-MDZDMXLPSA-N 290.366 3.516 30 20 CHED COc1cc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)on1 821021624 JSGWNSNANYFJGS-DAXSKMNVSA-N 297.232 3.598 30 20 CHED C#C[C@H](OC(=O)/C=C/c1ccccc1)c1ccccc1 821611521 JPQAVNHIFZUPAA-CLVCIHKQSA-N 262.308 3.618 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C(\C)CC 822423414 LATLWDGQLUPZGS-SDNWHVSQSA-N 270.376 3.653 30 20 CHED CSc1cncc(NC(=O)CC2(C#N)CCCCC2)c1 826684672 FEQIGVDCGJSWOK-UHFFFAOYSA-N 289.404 3.606 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CC12CCSCC2 831986010 LFPRVQFGRUNINY-CQSZACIVSA-N 281.465 3.772 30 20 CHED COc1cccc(C)c1NC(=O)CC1(C#N)CCCCC1 834539145 LUFGYLVKEBBQNV-UHFFFAOYSA-N 286.375 3.806 30 20 CHED C[C@H]1CC(=NNc2cccc3c2CCCC3)c2nccn21 834941662 JHOAKBFWUQFTRR-LBPRGKRZSA-N 280.375 3.543 30 20 CHED C[C@H](C=NO[C@H]1CCCCO1)c1cc(F)cc(F)c1 834967096 SPAPEOSXOSEACU-YGRLFVJLSA-N 269.291 3.597 30 20 CHED C[C@@H](CNC(=O)C#CC1CC1)c1c(Cl)cccc1Cl 837384432 KLYXVASICKIMBM-JTQLQIEISA-N 296.197 3.627 30 20 CHED Cc1cccc([C@@H]2CCCCCN2C(=O)C#CC2CC2)c1 837427951 VJQGYVMUBYRHOS-SFHVURJKSA-N 281.399 3.852 30 20 CHED CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C#CC2CC2)o1 837444821 CAXMRVOVMXZHOA-CZUORRHYSA-N 285.387 3.555 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 837595191 DDXRRDVGKNHLSO-CTYIDZIISA-N 289.806 3.752 30 20 CHED C=CCCCCOC(=O)c1nc(Br)ccc1C 837663002 YAZHKKWCYYGNHM-UHFFFAOYSA-N 298.180 3.666 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 837674425 XGVOKTUNUIQZKC-JOCQHMNTSA-N 289.806 3.752 30 20 CHED C=CC(C)(C)C(=O)OCc1c(F)c(F)c(F)c(F)c1F 837862143 NNAUHHSMZRCOEB-UHFFFAOYSA-N 294.219 3.638 30 20 CHED C=CCC1(C(=O)OCc2cnc(Cl)s2)CCCC1 838280587 QARIWCRWSYEPCT-UHFFFAOYSA-N 285.796 3.976 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(-c3ccccc3)on2)C1 839041993 CBDKBVMIWOHUOG-TZMCWYRMSA-N 296.326 3.581 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2ccccc2Cl)C1 839044852 VQCPUSYATOGJCK-TZMCWYRMSA-N 291.778 3.898 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(Cl)s2)C1 839045028 XAEQKRYTYAHZJV-DTWKUNHWSA-N 269.753 3.641 30 20 CHED CCOc1ccc(O)c(/C=N\CC2(c3ccccc3)CC2)c1 839386315 OKBXTAFTTMWKNN-MOSHPQCFSA-N 295.382 3.942 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)C1(F)CCCCC1 839395940 LUWLJZONUAEXFH-UHFFFAOYSA-N 286.350 3.510 30 20 CHED CN(C)C(=O)Sc1cccc(CSCCC#N)c1 840210976 CZVMVWCEMGDQQB-UHFFFAOYSA-N 280.418 3.607 30 20 CHED Oc1ccc(Cl)cc1/C=N\C[C@H]1CCOC2(CCC2)C1 840708164 USEFJKXWBWSDFA-SJWFJVLYSA-N 293.794 3.814 30 20 CHED CCC(=NNc1ccc(Cl)c(C(=O)O)c1)[C@H]1C[C@@H]1C 841605385 ZXXNMGIGPIRQQS-WPRPVWTQSA-N 280.755 3.872 30 20 CHED CCC(CC)NN=Cc1c(F)cc(C)cc1Cl 841624855 CMOZDFGARCZKHK-UHFFFAOYSA-N 256.752 3.900 30 20 CHED Cc1ccc(C=NO[C@@H]2CCCCO2)c(Cl)c1 844588350 BUVHOKFLMAVUDE-CYBMUJFWSA-N 253.729 3.526 30 20 CHED C=CCCC(CC)=NNc1ccc(CC(=O)OC)cc1 844606713 GASXPWZJCUZUIK-UHFFFAOYSA-N 274.364 3.546 30 20 CHED C[C@]1(CSc2cccnc2C#N)CC1(Cl)Cl 848437818 DEBCWHYHWJMQLD-SNVBAGLBSA-N 273.188 3.629 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/CCc2ccccc2C1=O 849241297 CFTHDCVZJJDSHD-UVTDQMKNSA-N 278.355 3.510 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc2cnccc2n1 851144454 RUYBYIKZBAWLJH-DYVFJYSZSA-N 296.370 3.922 30 20 CHED C[C@@H](Cc1ccsc1)OC(=O)Cc1ccccc1CC#N 851147270 INRFRXDTHNCOKN-ZDUSSCGKSA-N 299.395 3.531 30 20 CHED CCCn1nccc1/C=C1\C(=O)c2ccccc2[C@H]1C 853007786 DWHMXCQANBVEIK-COOUDCDJSA-N 266.344 3.677 30 20 CHED C[C@H]1CCCCN1N=Cc1ccc2ccccc2c1O 853381751 KRZAKEWAMSPGRC-ZDUSSCGKSA-N 268.360 3.754 30 20 CHED CCN(Cc1c(O)ccc2oc3c(c12)CCCC3)[C@H](C)C#N 853577037 BDOLWEVTTQJJCG-GFCCVEGCSA-N 298.386 3.751 30 20 CHED C=CCCONC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 856035585 DXAMQBKFQBOULM-HZPDHXFCSA-N 273.376 3.584 30 20 CHED CCCCCCCNC(=O)NC[C@@H](C)c1c(C)noc1C 858110600 DWPHFMGUCMMJKJ-GFCCVEGCSA-N 295.427 3.665 30 20 CHED CCCCCCCNC(=O)[C@H]1CCO[C@@H](CCC)C1 862357804 HOAPXUAGFZQVRQ-GJZGRUSLSA-N 269.429 3.668 30 20 CHED CN(CC1CCCCC1)C(=O)Nc1sccc1C#N 864249590 UWHZOYOIRGPQED-UHFFFAOYSA-N 277.393 3.664 30 20 CHED CC1(C)CC(=NNc2nccc3sccc23)CCO1 872343492 DCOCHVAWJPNSPU-UHFFFAOYSA-N 275.377 3.653 30 20 CHED C=CCN(CC=C)C(=O)NCCC1CCC(F)(F)CC1 898586144 JDDGYGRFTCUYCF-UHFFFAOYSA-N 286.366 3.586 30 20 CHED N#Cc1ccnc(CNc2cccc(OC3CCCC3)c2)c1 901363306 BMSPVWKIANKYMH-UHFFFAOYSA-N 293.370 3.887 30 20 CHED COc1ccc(CSCCCCC2(C#N)CCC2)nn1 901789599 ZQVTUULULPPUFH-UHFFFAOYSA-N 291.420 3.583 30 20 CHED CCCCN(CCCC)C(=O)c1ccc(C#N)c(Cl)n1 901935941 DSRBZEQMYSNAJN-UHFFFAOYSA-N 293.798 3.649 30 20 CHED C#CCN(C(=S)Nc1ccc(F)c(Cl)c1)C(C)C 905651745 KMFPAPURVPSQDG-UHFFFAOYSA-N 284.787 3.520 30 20 CHED C=CCN(C(=O)Cc1coc2c(F)c(F)ccc12)C(C)C 906565578 DZZUQVDECKEVTJ-UHFFFAOYSA-N 293.313 3.677 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1ccsc1C#N 906884947 FOMBUHZZLWBTIB-VXGBXAGGSA-N 284.384 3.542 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccsc1C#N 906936049 CQVWKNXFCNUEAB-GXTWGEPZSA-N 296.395 3.638 30 20 CHED Fc1ccc(C=NNc2ncccc2C(F)(F)F)cc1 915051542 YVLZIVKJWSKLRB-UHFFFAOYSA-N 283.228 3.686 30 20 CHED Fc1ccccc1CON=C1CCOc2ccccc21 915214876 QOIYHUKADORQSC-UHFFFAOYSA-N 271.291 3.529 30 20 CHED CC[C@H](C)C(C)=NNC(=S)Nc1ccc(C)cc1 915923225 HBROWZNLNRTLCO-NSHDSACASA-N 263.410 3.703 30 20 CHED Fc1ccc(-c2ccc(C=NNc3ccccn3)o2)cc1 916275979 DKJMGRZTYIIUGT-UHFFFAOYSA-N 281.290 3.927 30 20 CHED C[C@@H](NN=Cc1ccc2ncccc2c1)c1ccccc1 920385404 CDJXGHQGZXBIJR-CQSZACIVSA-N 275.355 3.920 30 20 CHED CCOc1ccc(O)c(/C=N\CCc2ccc(F)cc2)c1 920943175 QKFYPAKLHZTCRE-UNOMPAQXSA-N 287.334 3.592 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc(-n2cccn2)cc1 925191725 RHUHPJHPPRABLI-HUUCEWRRSA-N 296.418 3.851 30 20 CHED C=Cc1ccc(CCN[C@H](C)CC(C)(C)C#N)cc1 926457356 IRHQFQSPQSGBIO-CQSZACIVSA-N 256.393 3.790 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C#N)o1 928385381 OQXPESZEAVRSNL-CZUORRHYSA-N 294.354 3.560 30 20 CHED C=C(C)CN(CC)C(=O)c1ccnc2cc(Cl)ccc12 930117749 XFVKLEVFINWTDM-UHFFFAOYSA-N 288.778 3.926 30 20 CHED CC(C)(C)C[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 930225578 COXNGIUBHOMIKV-HUUCEWRRSA-N 294.826 3.681 30 20 CHED C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 935418679 JZHJKJXMIROWFY-QWHCGFSZSA-N 283.371 3.696 30 20 CHED C=CCCc1nnc(-c2cc(-c3ccccc3)on2)o1 1117205241 WTRGSPSTJPHYLB-UHFFFAOYSA-N 267.288 3.510 30 20 CHED N#Cc1ccnc(/C=C/C=C\c2ccc(F)cc2)c1 1117392267 PYCVKHRGDNZNTE-HSFFGMMNSA-N 250.276 3.819 30 20 CHED C=CCCCCCCCNC(=O)Nc1nocc1C 1117666326 MENQRMMHCXNSSW-UHFFFAOYSA-N 265.357 3.631 30 20 CHED CCC[C@@H](NC(=O)c1csc(C#N)c1)c1ccccc1 1117778036 LLZRZALJTSZZCT-OAHLLOKOSA-N 284.384 3.891 30 20 CHED Oc1nc2ccccc2cc1/C=N/[C@@H]1CCC[C@@H](F)C1 1118192347 CDQHYTARYILXJU-DTVMNVQKSA-N 272.323 3.640 30 20 CHED CCN(Cc1ccc(C#N)s1)Cc1ccccc1F 1118364792 ARROSKZLDIKAJC-UHFFFAOYSA-N 274.364 3.781 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C)cc1 1153649668 CSNDXDBLELXCQU-AAEUAGOBSA-N 298.308 3.655 30 20 CHED COC(=O)[C@H](C)c1cccc(Nc2cccc(F)c2C#N)c1 1163489137 WTGAWEATJDAJSF-LLVKDONJSA-N 298.317 3.717 30 20 CHED N#Cc1csc(CNc2nc3ccc(Cl)cc3[nH]2)c1 1179516448 YXJOXSBFVJJGLO-UHFFFAOYSA-N 288.763 3.762 30 20 CHED C[C@H]1C[C@@H](CCNc2nccnc2C#N)CC(C)(C)C1 1186316691 ZESUGHAFAFHHFX-QWHCGFSZSA-N 272.396 3.613 30 20 CHED C[C@@H](NCc1cc(C#N)ccn1)c1cccc2ccccc12 1192858442 KXJHENSXAJQJPG-CQSZACIVSA-N 287.366 3.957 30 20 CHED N#Cc1cccc(-c2nnc(Cc3ccc(Cl)cc3)o2)c1 1254227831 DXJAZKKVBYWIKM-UHFFFAOYSA-N 295.729 3.852 30 20 CHED C#CCCCCCc1nnc(COc2cccc(C)c2)o1 1261567477 LWBQAZNENPKMRL-UHFFFAOYSA-N 284.359 3.693 30 20 CHED C=C(C)CCC(=O)N(Cc1ccccc1F)C(C)C 1262605928 UFFVLVAPSIXESL-UHFFFAOYSA-N 263.356 3.919 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1nc(Cl)sc1C 1262654590 LBMXUFMVPACTJL-JTQLQIEISA-N 284.812 3.676 30 20 CHED C=C(CC(C)C)C(=O)Nc1cccc(-c2cnco2)c1 1263710033 KSVDMDPJGYNPFQ-UHFFFAOYSA-N 270.332 3.882 30 20 CHED Cc1ccc(O[C@H](C)C(=O)Nc2cc(C)cc(C#N)c2)cc1 1275788562 SSOHSIOTJAPTTK-CQSZACIVSA-N 294.354 3.581 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H](C)CC1CCCCC1 1318547795 QRKPOYUTYZEUOH-HNNXBMFYSA-N 278.440 3.991 30 20 CHED CCOc1ccc(C=NOCc2nc(C)sc2C)cc1 1320123169 MXVNXEUIUDLQEH-UHFFFAOYSA-N 290.388 3.709 30 20 CHED CSc1ccccc1-c1nnc(-c2ccc(C#N)cc2)o1 1322256796 MVIRAJUUCRQKNI-UHFFFAOYSA-N 293.351 3.997 30 20 CHED C[C@@H](NC(=O)CC#Cc1ccccc1)[C@H](C)c1ccccc1 1323877406 ZNVITDKOEOAMGC-DLBZAZTESA-N 291.394 3.737 30 20 CHED CC(C)C#Cc1nnc(CCSc2ccc(F)cc2)o1 1329298894 XCHJLOROUNFUSW-UHFFFAOYSA-N 290.363 3.551 30 20 CHED Cc1ccc(OCC2(C#N)CCC2)c2c1[C@H](C)CC2=O 1331471312 ZXNCFMCFTXTKGL-GFCCVEGCSA-N 269.344 3.758 30 20 CHED Cc1ccncc1[C@@H](C)NCCCCC1(C#N)CCC1 1332847676 HHOUFRKBPBLFEQ-OAHLLOKOSA-N 271.408 3.905 30 20 CHED C=C[C@@H](COC)N[C@@H](CC)c1cccc(Br)c1 1338114311 YWQFSBFRVZMDQR-KBPBESRZSA-N 298.224 3.691 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1coc2ccc(Cl)cc12 1339183419 CMSBLCKIMUUSIJ-LLVKDONJSA-N 290.750 3.850 30 20 CHED CC1(C)C[C@]1(C(=O)O[C@H]1CC[C@H](C#N)C1)c1ccccc1 1342631144 AKKLWEZWJMCZNR-DHSIGJKJSA-N 283.371 3.590 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1c1cccc(CC#N)n1 1342842009 KDKTVOAMJAHDLZ-YOEHRIQHSA-N 277.371 3.530 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC 1344616468 DJGOXTWIVDHAKO-AWEZNQCLSA-N 299.374 3.529 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@@H](CC#N)c1ccco1 1345977930 XEQMRXKFOKWVIL-UXLLHSPISA-N 295.338 3.890 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc2cc(O)ccc2c1 1348559269 UFOVDBBTSAEDRF-OAHLLOKOSA-N 296.370 3.511 30 20 CHED CC1(C)C[C@H]1CNC(=O)c1c(Cl)cc(C#N)cc1Cl 1443772039 QEIHNFMQHMVQHP-VIFPVBQESA-N 297.185 3.641 30 20 CHED CC(C)(CCNc1ccc(Cl)c(C#N)n1)C1CC1 1458394102 YPKLNEIQAUOXMY-UHFFFAOYSA-N 263.772 3.845 30 20 CHED Cc1[nH]nc(NCc2cccc(Cl)c2Cl)c1C#N 1461557978 HEIVLPIGQBBSTM-UHFFFAOYSA-N 281.146 3.509 30 20 CHED CC(C)[C@H](CN[C@H](C)CC(C)(C)C#N)C(=O)OC(C)(C)C 1462386582 KJNXOKDHNPFSBI-KGLIPLIRSA-N 296.455 3.518 30 20 CHED C[C@@H]1CC=C(C(=O)O[C@@H](CC#N)c2ccco2)CC1 1518001431 MFGWLGJYPJURTJ-RISCZKNCSA-N 259.305 3.524 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2F)c(F)c1 1523226039 IMVMSSOMIRPNNZ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC[C@@H](CC(=O)Nc1cc(C#N)cc(C)n1)c1ccccc1 1523625727 ZOJNXLZLHIPDTB-HNNXBMFYSA-N 293.370 3.784 30 20 CHED CCCC[C@@H](CC)C(=O)O[C@@H](CC#N)c1ccco1 1526991560 CUYDJVIMZIJRBW-OCCSQVGLSA-N 263.337 3.994 30 20 CHED CCC(CC)(CC)C(=O)Nc1ccc(OC)c(C#N)c1 1532695909 DQXSTPDPSIGJBN-UHFFFAOYSA-N 274.364 3.722 30 20 CHED Cc1ccc(C(=O)NCC[C@H]2CCCC[C@@H]2C)cc1C#N 1538127829 NZKUJUNPSUGQJR-DZGCQCFKSA-N 284.403 3.813 30 20 CHED CCC[C@H](Cc1ccccc1)Nc1cc(C#N)nc(CC)n1 1559095535 FMBPLKYJXVMMQC-OAHLLOKOSA-N 294.402 3.734 30 20 CHED Cc1ccccc1CCN(C)Cc1cccc(C#N)c1F 1559863103 NJHIWOKAYTWVIR-UHFFFAOYSA-N 282.362 3.680 30 20 CHED CC(C)CC1(C)CCN(Cc2cc(C#N)ccn2)CC1 1559884331 RVTHQMNVVISJDN-UHFFFAOYSA-N 271.408 3.601 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@H]1CCc2ccccc2N1 1574831888 WRYWHBWVDOUBNK-OAHLLOKOSA-N 286.419 3.522 30 20 CHED COc1ccc(NC(=O)CC2(C)CCCCC2)cc1C#N 1595803317 OAKXBQXXBMUBIH-UHFFFAOYSA-N 286.375 3.866 30 20 CHED N#CC1(COc2c(C(=O)O)ccc3ccccc23)CCC1 1601057840 HVPBWLRBGHWMOY-UHFFFAOYSA-N 281.311 3.611 30 20 CHED C[C@H](NCc1cc2cnccc2o1)c1ccc(C#N)cc1 1620751933 LNHXFRHKRLUAIV-LBPRGKRZSA-N 277.327 3.550 30 20 CHED COc1cc(C#N)ccc1CSc1cc(C)ccn1 1644216512 LWJZDGULCLTZSZ-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CCC[C@H](NCc1ccc(C#N)cc1OC)C(C)(C)C 1654478943 IJQJEVDJJJHVFV-INIZCTEOSA-N 274.408 3.871 30 20 CHED Cc1cc(Sc2ccc(C(F)(F)F)nn2)ccc1C#N 1655595664 JQPSMJHNOZWTBL-UHFFFAOYSA-N 295.289 3.827 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 1672775833 RTQGXZKPPUUFMF-GZIXRCOHSA-N 297.402 3.813 30 20 CHED CCC(CC)CN(CC)C(=O)Nc1cc(F)cc(C#N)c1 1673773553 NDPKRDSVRRWIGM-UHFFFAOYSA-N 291.370 3.987 30 20 CHED O=C(O)c1cc(NN=C2CC[C@@H]2c2ccccc2)ccc1F 1776062652 DIOLUUROHPYXID-CYBMUJFWSA-N 298.317 3.869 30 20 CHED O=C(O)c1ccc(NN=C2CCC3(CCCCC3)C2)cn1 1776072544 BYWUFLILRPBBEG-UHFFFAOYSA-N 287.363 3.682 30 20 CHED COc1cc(C(=O)O)ccc1/C=C/C(=O)c1ccccc1C 1777268276 BTOVUEHCJUATEH-MDZDMXLPSA-N 296.322 3.598 30 20 CHED CCCCCCCCCN(C)Cc1ccc(C)nn1 840911430 AMNNTRISROELHT-UHFFFAOYSA-N 263.429 3.967 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OC(C)C)cc1 57158046 LONKDFXCKGFMNX-UHFFFAOYSA-N 261.365 3.512 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CC=CCC2)C(C)C)c1 102909357 VPNRPOVYPXTUIB-MRXNPFEDSA-N 267.372 3.766 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)C 108238212 GIHJXUZUOLCSQG-LLVKDONJSA-N 276.405 3.923 30 20 CHED C=CCCCC(=O)Nc1cccc(-c2cnco2)c1 175371885 BZMOLHQRNWBFGD-UHFFFAOYSA-N 256.305 3.636 30 20 CHED Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)o1 55567981 AQCHPWCKFXJFSQ-UHFFFAOYSA-N 284.315 3.523 30 20 CHED N#CCCCOc1cccc(NC(=O)c2ccc(F)cc2)c1 54827633 KLPAEQAKUKZBCW-UHFFFAOYSA-N 298.317 3.761 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)nc1 107577340 VWZOMJHTAKIIEY-MRXNPFEDSA-N 297.402 3.528 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccccc1 301416335 AZQGGNSQWSWJBL-YVEFUNNKSA-N 293.326 3.664 30 20 CHED Cc1ccc(C2=NN/C(=N\c3ccccc3)SC2)cc1 21264046 JPARTHZMTFNTFB-UHFFFAOYSA-N 281.384 3.723 30 20 CHED CCN(C(=O)Cc1ccc(Cl)cc1)c1ccc(C#N)cc1 174077248 FSWXJRKBNYOGIV-UHFFFAOYSA-N 298.773 3.807 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CCSc2c(F)cccc21 116946537 WALHBKAIGYHLFU-ZWNOBZJWSA-N 294.395 3.626 30 20 CHED C#CCCCNC(=O)c1ccc(-c2ccccc2)s1 172927096 ZFMKUASRMPHUEF-UHFFFAOYSA-N 269.369 3.558 30 20 CHED N#Cc1ccc(OCc2ncc(Cl)cc2Cl)cc1F 179685583 JPNIVIGPBUSVOT-UHFFFAOYSA-N 297.116 3.978 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 1351389735 XAVSSPZFRWPFMA-JKSUJKDBSA-N 296.757 3.954 30 20 CHED CC(C)Oc1ccc(N/C(N)=N/CC2(C)CCCC2)cc1 304756890 OECUSJNDFRNOOL-UHFFFAOYSA-N 289.423 3.781 30 20 CHED C[C@H](CC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 115972627 VBHLPJKKXFWYSH-GFCCVEGCSA-N 282.318 3.830 30 20 CHED C#CCCCCC(=O)Nc1ccc(O[C@H](C)CC)cc1 119704459 CHJBGKAFQUMOFJ-CQSZACIVSA-N 273.376 3.996 30 20 CHED C[C@H](CC(=O)N(CC#N)c1ccccc1)c1cccc(F)c1 172231493 CRLKXLVOSXKPAY-CQSZACIVSA-N 296.345 3.876 30 20 CHED C#Cc1cccc(N(C)Cc2cccc([N+](=O)[O-])c2C)c1 303138799 CMKLGWOWXVROGC-UHFFFAOYSA-N 280.327 3.521 30 20 CHED Cc1nnc(NCc2ccc3ccccc3c2)c(C#N)c1C 68996713 LKGJDAYOVIXYQU-UHFFFAOYSA-N 288.354 3.730 30 20 CHED CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)C1(C#N)CCC1 67683250 AJZIQZRNCIGLEV-DHZHZOJOSA-N 296.414 3.902 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1 173881956 AGQJBMLREDSZIJ-GJZGRUSLSA-N 282.387 3.862 30 20 CHED N#Cc1csc(CN[C@H](Cc2ccccc2)C2CC2)c1 177704133 AUQKJROTQSENKK-QGZVFWFLSA-N 282.412 3.731 30 20 CHED Cc1nc(SC2CCCC2)c(Cl)cc1C#N 309241804 KXHNSYBDVGWUSA-UHFFFAOYSA-N 252.770 3.950 30 20 CHED CC[C@H](C#N)Oc1cccc(CNC[C@H]2CC=CCC2)c1 123013748 FWPNRHJDVPFPKQ-DOTOQJQBSA-N 284.403 3.813 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCc3ccccc32)cc1 180545552 GSKOOXTYAWFBDM-CQSZACIVSA-N 278.355 3.540 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1ccccc1Cl 120206146 MLDUMRVVQIGZGH-VXGBXAGGSA-N 282.767 3.925 30 20 CHED Cc1oc2ccccc2c1C(=O)N[C@@H](C#N)C1CCCCC1 186112807 HECSSSUIJLBXFW-HNNXBMFYSA-N 296.370 3.944 30 20 CHED N#Cc1ccccc1OCCSc1nc2ccccc2[nH]1 37143602 WUOIXYGZGHMOGV-UHFFFAOYSA-N 295.367 3.606 30 20 CHED N#Cc1cccc(CNc2cc(F)ccc2OC(F)F)c1 128201077 IYDILSQOHXROEL-UHFFFAOYSA-N 292.260 3.911 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc(-c2cnco2)cc1 128102739 ZICXLKAVCINRBH-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cc(F)ccc1F 182578203 ZMLCWZDCBZCBQE-LLVKDONJSA-N 288.297 3.868 30 20 CHED CC[C@@]1(C)CCCN(Cc2cc(C#N)ccc2F)C1 362385004 QACCIOLMYNVXJO-INIZCTEOSA-N 260.356 3.709 30 20 CHED CC[C@@H](C)C(=O)Nc1ccccc1SCCC#N 78568660 PUHPFXDLOKTFMR-LLVKDONJSA-N 262.378 3.677 30 20 CHED CCC[C@@H](C)CC(=O)N[C@H](C)c1cccc(C#N)c1 75272002 IUTQZSWMSKPUGU-CHWSQXEVSA-N 258.365 3.562 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N(CC#N)C1CCCC1 78209013 JFRMZAMLOHHNQQ-AWEZNQCLSA-N 276.424 3.888 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H](C)C1 508842588 YHFZWHMLARMSCV-HUUCEWRRSA-N 296.418 3.532 30 20 CHED C#CCCCCC(=O)N(C)CCc1ccc(Cl)cc1 120147867 REXOOYFFFHYMFJ-UHFFFAOYSA-N 277.795 3.535 30 20 CHED CC(C)(C)CCCC(=O)Nc1ccc(F)c(C#N)c1 504906528 ZIMBNBHLGFPENW-UHFFFAOYSA-N 262.328 3.852 30 20 CHED CC[C@H](CC#N)NC(=O)c1oc2c(Cl)cccc2c1C 183951435 XOCFBNPMCFXUOS-SNVBAGLBSA-N 290.750 3.817 30 20 CHED N#CCOc1cccc(CN[C@H]2CCCc3ccccc32)c1 124015826 AJNMXQCYYLKZTN-IBGZPJMESA-N 292.382 3.756 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)Cc1ccccc1Cl 187896280 MWOXDMMWQPEXDX-INIZCTEOSA-N 295.810 3.527 30 20 CHED Cc1cccc(C(=O)/C=C/c2cccc(C(=O)O)c2)c1 126301600 YCWWPVTXIGZLGN-CMDGGOBGSA-N 266.296 3.589 30 20 CHED CC[C@](C)(C#N)NC(=O)CCCCc1ccc(C)cc1 127098537 VZFXLECCEVFAAD-QGZVFWFLSA-N 272.392 3.516 30 20 CHED C#CCOc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1 128577677 GVYJMEXCBSWRSL-UHFFFAOYSA-N 299.757 3.913 30 20 CHED COc1cc(C#N)ccc1CN[C@H](C)[C@@H](C)c1ccccc1 183340042 GBONVQQGSLRXBQ-HUUCEWRRSA-N 294.398 3.849 30 20 CHED N#Cc1cccc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)n1 122987366 PPALMPVOBHPSDN-UONOGXRCSA-N 269.735 3.575 30 20 CHED C=CCOc1ccc(CN2CCOC[C@H]2CC)cc1Cl 509771372 FTHOIPCEJALXJS-CQSZACIVSA-N 295.810 3.516 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCc1ccc(OC)c(Cl)c1 185884906 GIFMPUHLQMIENH-LLVKDONJSA-N 281.783 3.567 30 20 CHED COC[C@H]1CCCCN(CCC2(C#N)CCCCC2)C1 411545636 QNRNBIUBMORDMQ-INIZCTEOSA-N 278.440 3.599 30 20 CHED CCN(Cc1cccc(Cl)c1)C[C@H](C#N)CCC#N 79823617 IFZIFKFTAGYJFY-AWEZNQCLSA-N 275.783 3.605 30 20 CHED Cc1cc([C@H]2CCCN2CCCCC(C)(C)C#N)on1 336828171 VNJHZDNFPMIJFK-CQSZACIVSA-N 275.396 3.840 30 20 CHED C=CCC1(NC(=O)Nc2ccc(CN)cc2)CCCCC1 415960779 QMPHOISCMFPZMX-UHFFFAOYSA-N 287.407 3.546 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)c2cccs2)c1 78109941 NUMUNFUWZQBAAF-CYBMUJFWSA-N 283.396 3.886 30 20 CHED Cc1c(-c2ccccc2)[nH]c(SCCCCC#N)nc1=O 185048420 MBBIBNULPTUPQV-UHFFFAOYSA-N 299.399 3.531 30 20 CHED N#Cc1ccc(NCc2c(F)cc(F)cc2F)c(F)c1 338774880 VDZXCMPKVVJYDC-UHFFFAOYSA-N 280.224 3.727 30 20 CHED Cc1ccc(C(=O)N2CCC(F)(C#N)CC2)c2ccccc12 412328892 CQQMXVSWSKWIFT-UHFFFAOYSA-N 296.345 3.616 30 20 CHED C=C1CCN(C(=O)c2ccc(C)c3ccccc23)CC1 412043791 NYHTYMJLWXGXSI-UHFFFAOYSA-N 265.356 3.940 30 20 CHED C[C@@H]1CC[C@@H](CNc2cc(C#N)ccc2C(F)(F)F)O1 413376558 MWCXMKXXHDSKGD-KOLCDFICSA-N 284.281 3.556 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(C)c(-c2ccccc2)n1 410798966 UPVOCZPSTMDADG-GOSISDBHSA-N 295.386 3.993 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccn1C 186262056 REOURZMVNHNUTE-GOSISDBHSA-N 279.387 3.542 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCCC(C)(C)C2)CC1 136078797 IMYMUWPHKODVRO-MRXNPFEDSA-N 264.457 3.585 30 20 CHED CC#CCCCC(=O)N[C@@H](CC)c1ccc(C)cc1 184972594 MDTJISIDRVYAAW-INIZCTEOSA-N 257.377 3.756 30 20 CHED C#CCOc1ccccc1NCc1csc(C(C)C)n1 184632156 TYVUSHDJWRAGKO-UHFFFAOYSA-N 286.400 3.891 30 20 CHED Cc1nc(CN(C)CC#Cc2ccccc2Cl)cs1 135007189 BFTBNGGMMYNBJA-UHFFFAOYSA-N 290.819 3.588 30 20 CHED Cc1ccc2c(c1)OCCC[C@H]2NCC(C)(C)CC#N 414165416 LXJOZVQZHMFZMM-OAHLLOKOSA-N 272.392 3.738 30 20 CHED CN(C(=O)[C@@]1(C#N)CC12CCCC2)C1CCC(C)(C)CC1 410564549 QDBONZXOEAQUFV-SFHVURJKSA-N 288.435 3.888 30 20 CHED N#Cc1ccccc1SCCOCC1CCCC1 412996370 FWRDWLUNWJBNNO-UHFFFAOYSA-N 261.390 3.857 30 20 CHED C=CCOCCSCc1coc(-c2ccccc2)n1 419368890 XSAIHTOVGRUIIK-UHFFFAOYSA-N 275.373 3.777 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(O)=Nc1nccn1-c1ccccc1 328749570 QCFWCKJVXQDATE-ZIAGYGMSSA-N 298.390 3.681 30 20 CHED CCN(Cc1cc(C)cc(Cl)c1)C[C@H](C)C#N 507583115 OPAXGZUZVSNXMW-GFCCVEGCSA-N 250.773 3.630 30 20 CHED C=C(C)CCc1noc(C2(c3ccccc3F)CC2)n1 508594249 JFAYJAKKNUPUCQ-UHFFFAOYSA-N 272.323 3.797 30 20 CHED N#CCCNCc1ccc(F)c(-c2cccs2)c1 40222800 GOWYWOITBCNEGC-UHFFFAOYSA-N 260.337 3.557 30 20 CHED C[C@@H]1CCCN(C(O)=Nc2nccn2-c2ccccc2)CC1 328746743 OTPIACSFFJFKCH-CQSZACIVSA-N 298.390 3.540 30 20 CHED CC1(/N=C(/O)c2ccnc(OC3CCC3)c2)CCCC1 328853190 VZYAQNOOXUBWDP-UHFFFAOYSA-N 274.364 3.650 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 132741003 NAEBQWCYTMBPFQ-GJZGRUSLSA-N 297.304 3.688 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1ccc(Br)cc1 191497868 BHNVKYFOKFUDQV-SMDDNHRTSA-N 295.224 3.662 30 20 CHED N#Cc1csc(-c2nc(-c3ccc(F)c(F)c3)no2)c1 83980752 QDNHUYALQDNDBB-UHFFFAOYSA-N 289.266 3.615 30 20 CHED Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(Cl)c1 191689039 RYWFFWRGYDORND-MLGOLLRUSA-N 290.794 3.851 30 20 CHED N#CC1(CNCc2ccsc2C(F)(F)F)CCC1 529612564 XFBHTKBYSDFOKR-UHFFFAOYSA-N 274.311 3.550 30 20 CHED C=CCCC(=O)Nc1cc(Cl)ccc1O[C@@H](C)COC 191824058 VSCKIIPOLXZGSX-NSHDSACASA-N 297.782 3.658 30 20 CHED COC[C@@H](C)SCc1ccccc1C(C)(C)C#N 134065989 KXFAYVMAQPNSQG-GFCCVEGCSA-N 263.406 3.756 30 20 CHED CC(C)(NCCCC#N)c1ccc(OC(F)(F)F)cc1 191690290 WZGRVHZEGLEDAQ-UHFFFAOYSA-N 286.297 3.714 30 20 CHED Cc1c(NC(=O)C2CC(C(C)(C)C)C2)ccc(C#N)c1C#N 421556313 JQJJWKMOSPRCNH-UHFFFAOYSA-N 295.386 3.749 30 20 CHED CC1(CC(=O)NCc2ccc(C#N)s2)CCCCC1 421605759 WWRKZKWCGWMWRQ-UHFFFAOYSA-N 276.405 3.596 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)CCCC(F)(F)F 426084771 MLOCURRZSWAFTI-LLVKDONJSA-N 280.334 3.715 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C)c(Br)cn1 425525916 HPXYWOIQNLPOIR-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C=CCC[C@@H](CC)NC[C@H]1CCN(Cc2ccccc2)C1 192935796 UYQSYXVLQIXNQG-RTBURBONSA-N 286.463 3.843 30 20 CHED Cn1cc(CNC2(c3ccc(Cl)cc3)CCC2)cc1C#N 190911077 ZLTAIAHPBCTESU-UHFFFAOYSA-N 299.805 3.719 30 20 CHED CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 48953322 FQOIHWTVVWCKOB-UHFFFAOYSA-N 266.300 3.617 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(F)c(Cl)c1 192526060 WGTVRZBPBWLLFP-UHFFFAOYSA-N 268.719 3.685 30 20 CHED N#Cc1ccc(F)c(COc2c(F)c(F)cc(F)c2F)c1 193291615 XSCPRFSOEAPMHG-UHFFFAOYSA-N 299.198 3.833 30 20 CHED N#CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 336240610 YRJBNAGNXIYJIW-QZTJIDSGSA-N 296.414 3.723 30 20 CHED CC1(C)CCC([S@@](=O)Cc2ccc(C#N)cc2)CC1 335428095 XKVNRXXNSOYOFZ-IBGZPJMESA-N 275.417 3.776 30 20 CHED CCCC/N=C(/O)Nc1ncc(C(C)(C)C)s1 331257159 XFKZUOSPGGLRLW-UHFFFAOYSA-N 255.387 3.567 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@]1(C)CCCOC1 330628747 LYIDDTGCLLFQGC-OAHLLOKOSA-N 296.436 3.524 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(CC#N)cc1 83543362 WCBYWDQOORKWRV-KMFMINBZSA-N 297.402 3.938 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N(CC)C[C@H](C)C#N 424610671 WQRSTUVWGPAKSX-GDBMZVCRSA-N 286.419 3.572 30 20 CHED C=CCOCCCSCc1cccc(F)c1C#N 427685757 OBPBBSHWESLTEP-UHFFFAOYSA-N 265.353 3.523 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(O)c(C)c2)no1 519520236 ZYZVLWCFZKKZPL-UHFFFAOYSA-N 270.332 3.986 30 20 CHED N#Cc1cc(F)ccc1N1CCC[C@@H](CC(F)(F)F)C1 420619812 FUMNHBXMIVCFTL-JTQLQIEISA-N 286.272 3.866 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC(C2CCCC2)C1 334246795 IWHWQKBACBCMCV-UHFFFAOYSA-N 283.375 3.521 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl 424667227 PAYSKYXDMJLAQX-JMSVASOKSA-N 290.794 3.847 30 20 CHED CC[C@H](C)C[C@H](C)/N=C(/O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 330511109 ISGZYQNVCPAHTD-BYNSBNAKSA-N 298.471 3.908 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)s1 336454270 FPRLCNPZRGIIHC-NSHDSACASA-N 288.397 3.659 30 20 CHED CC1(C#N)CCC(N[C@H]2CCCOc3ccccc32)CC1 336212720 IEZHUSSXVCHWPU-HQVVEAJESA-N 284.403 3.962 30 20 CHED Cc1cccc2c1CN(c1ncc(Cl)c(C)c1C#N)CC2 428668687 NQBSFPFNCGUBJP-UHFFFAOYSA-N 297.789 3.786 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H](c2cccs2)C2CC2)cc1 514531154 WUTDJKYHLBKJGY-OAHLLOKOSA-N 297.383 3.893 30 20 CHED CC1(C)CCC[C@H](C(=O)N2CCc3c(C#N)cccc32)C1 421659932 ZGJPTVQOXDMITR-ZDUSSCGKSA-N 282.387 3.664 30 20 CHED CCS[C@@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 421369473 VTRAEIUJSUOFEF-LSDHHAIUSA-N 292.423 3.851 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1ccccc1OC(F)F 339220368 VBAMGEYCLLIZHB-SNVBAGLBSA-N 289.285 3.728 30 20 CHED CC(C)(C)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 230141932 UVPAECPHRIDKFV-AWEZNQCLSA-N 260.356 3.565 30 20 CHED Cc1ccccc1[C@H]1CN(Cc2cc(C#N)cs2)CCO1 93478575 IAZXLCRNKWIYTK-QGZVFWFLSA-N 298.411 3.502 30 20 CHED Cc1cc([C@@H](C)/N=C(/O)c2cn(C)nc2C(C)C)c(C)o1 330566133 MAMLPMLZMNNFIO-LLVKDONJSA-N 289.379 3.819 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@H](C)CC(C)(C)O 331358662 VLWQLEWCJHKJDA-SNVBAGLBSA-N 298.452 3.504 30 20 CHED N#CCCCCNCc1ccc(OC(F)F)c(Cl)c1 237805631 HODMDPOVSKGOFJ-UHFFFAOYSA-N 288.725 3.725 30 20 CHED Cc1ocnc1/C(O)=N/[C@H](C)c1nc(C(C)(C)C)cs1 330664312 YJXKAEFDPPDPMO-MRVPVSSYSA-N 293.392 3.803 30 20 CHED CC(C)(C)c1cnc(N/C(O)=N/[C@H]2CC=CCC2)s1 331256755 WSGKQXFIRGCYHW-JTQLQIEISA-N 279.409 3.875 30 20 CHED C=CCCOCCN[C@H]1CC[C@](C)(c2ccccc2)C1 437782056 XZEQZIIVYRCGAD-ROUUACIJSA-N 273.420 3.679 30 20 CHED CC(C)CN(CCCSCC#N)c1ccc(C#N)cc1 342682992 YBVMTAGKSFBQFQ-UHFFFAOYSA-N 287.432 3.668 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)Nc1ccc(CC#N)cc1 431005000 JLYRTIAUKQLDCD-YCPHGPKFSA-N 299.418 3.946 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c[nH]c(C(F)(F)F)c1 345491236 OZLUIUSTXVJPII-VIFPVBQESA-N 274.286 3.508 30 20 CHED C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 246309603 YCJQAIFRKSTINR-JEBQAFNWSA-N 292.382 3.704 30 20 CHED N#Cc1c(CN2CCC[C@H]2C2CCC2)cn2ccccc12 343016617 VNTFFDRUVLBJSS-KRWDZBQOSA-N 279.387 3.575 30 20 CHED CC(C)(C#N)CCC[S@@](=O)Cc1nc(C2CC2)cs1 342258425 RDMMYKSJSPCATL-LJQANCHMSA-N 296.461 3.599 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 341448752 DCEOIPIPXHTSPD-ZDUSSCGKSA-N 287.407 3.587 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)C[C@@H](c2ccsc2)O1 246391454 IEGGXFXSGXVMFU-DYVFJYSZSA-N 298.411 3.582 30 20 CHED CO[C@@]1(C)C[C@@H](Nc2ncc(Cl)c(C)c2C#N)C1(C)C 343519216 ZIRGZPGCHKRDRG-DOMZBBRYSA-N 293.798 3.531 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C#N)CC(C)C 609627357 CFMZFINLSBUSTL-LSDHHAIUSA-N 264.413 3.647 30 20 CHED Fc1ccc(C#CCN2CC[C@H]2c2ccccc2)cc1 437566131 DTZYHBFARPSPCE-SFHVURJKSA-N 265.331 3.624 30 20 CHED CN1CC[C@H](NCC(C)(C)CCC#N)C[C@H]1c1ccccc1 340393478 PQJSIQQXIRVXNO-ROUUACIJSA-N 299.462 3.741 30 20 CHED N#CCC[C@H](Nc1cc(C2CC2)ncn1)c1ccccc1 603317353 OORXMMDOOIJNGU-HNNXBMFYSA-N 278.359 3.811 30 20 CHED C[C@H](CCC#N)CN(C)[C@@H]1CCCc2ccccc21 602436594 XHSJBNXHDHLQEW-RHSMWYFYSA-N 256.393 3.936 30 20 CHED CCOc1cccc(/C=C\c2ccc(C#N)cn2)c1 255524559 AIXDUNNSUCJMIM-VURMDHGXSA-N 250.301 3.522 30 20 CHED C[C@@H](OC(=O)/C=C\c1ccccc1)c1ccc(C#N)cc1 255900887 GATRILMHRFTCOE-FWLQQBITSA-N 277.323 3.876 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCO[C@@H](CC)C2)n1 340784287 WPFMEIRDLAIKSQ-RYUDHWBXSA-N 264.369 3.596 30 20 CHED CC(C)(C#N)CCSCc1noc(C2CCC2)n1 600631071 CBXCRSJCZUDLAU-UHFFFAOYSA-N 265.382 3.510 30 20 CHED C[C@@H](C1CC1)N(Cc1ccccc1)Cc1cccc(C#N)n1 602434282 PDWUHFQDUIZXJG-HNNXBMFYSA-N 291.398 3.754 30 20 CHED COc1ccc(/C=C\C(=O)c2cccnc2)cc1Cl 255164753 SWWFXPLHBFZICC-XQRVVYSFSA-N 273.719 3.640 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2CNC[C@H](C)CCC#N 602614898 ARYCEAVIEJTCQC-GDBMZVCRSA-N 286.419 3.645 30 20 CHED CC(C)n1ncc2cc(NC[C@H](C)CCC#N)ccc21 602588623 OMUITIYKADIRSR-CYBMUJFWSA-N 270.380 3.969 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H]2CC[C@H](C)C2)c1C#N 345426737 FTXNWQSWFLPPFS-GXSJLCMTSA-N 276.405 3.865 30 20 CHED C=CC[C@H]1N(Cc2cncc(OC)c2)CCCC1(C)C 343747029 RAXKXRCQXZPAHE-MRXNPFEDSA-N 274.408 3.657 30 20 CHED Cc1ccccc1N(C(=O)Cc1ccc(C#N)cc1)C(C)C 521539410 HMAVZEYSOFSPGL-UHFFFAOYSA-N 292.382 3.851 30 20 CHED C=C(C)CCNC(=O)c1cccc(Cl)c1Cl 448551035 QIGRGTZXOGXXDJ-UHFFFAOYSA-N 258.148 3.689 30 20 CHED O=C1/C(=C\c2cncs2)CSc2c(F)cccc21 255515655 CWCOIJZNBGOWBW-YWEYNIOJSA-N 277.345 3.654 30 20 CHED CC(=O)c1ccccc1OCC#Cc1ccc(Cl)cc1 443421056 WQFFDDKJQSPKST-UHFFFAOYSA-N 284.742 3.973 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1[C@H](C)CCC1(C)C 602815892 LXYKWKIPYKCYNB-GFCCVEGCSA-N 271.364 3.662 30 20 CHED CCOc1cccc(C=Nc2ccc(OC)c(F)c2)c1O 255501506 FEOVOJTZAYRLAZ-UHFFFAOYSA-N 289.306 3.689 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)Cc2cccs2)CC1 354427528 SLTUJXSGZHMOQF-LBPRGKRZSA-N 263.406 3.542 30 20 CHED CCc1cnccc1[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 353264204 XKXKJPNRAFSRGU-ORAYPTAESA-N 291.398 3.854 30 20 CHED C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)CCC#N 267078449 XLALNWGYCVHQJX-RYUDHWBXSA-N 250.773 3.677 30 20 CHED CCC[C@@H](C)N(C)C(=O)Nc1ccc(C#N)cc1Cl 269142553 ORHPHCIGBAEUJC-SNVBAGLBSA-N 279.771 3.864 30 20 CHED N#Cc1c(F)cccc1Nc1ccc(-c2cncnc2)cc1 609797773 SFVXQDZHOSOLFA-UHFFFAOYSA-N 290.301 3.898 30 20 CHED CSc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1Cl 532327339 GFPFTBJZIXBWBZ-UHFFFAOYSA-N 294.807 3.940 30 20 CHED Cc1ccc(-c2nc(Cn3cc(C)c(C#N)c3)co2)cc1 533228120 BJAYLPQOYJJMRK-UHFFFAOYSA-N 277.327 3.680 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2F)[C@@H]1c1ccccc1 538148643 YGILBQWGUMIGMZ-UGSOOPFHSA-N 280.346 3.890 30 20 CHED C=CCC(CC=C)C(=O)N1CCC2(CCCC2)CC1 268182151 IUIHMOKTSJMCBG-UHFFFAOYSA-N 261.409 3.938 30 20 CHED C=CCCOCCNC(=O)c1csc2cc(C)ccc12 359878482 PHNZLQJBQDBBDT-UHFFFAOYSA-N 289.400 3.532 30 20 CHED C[C@@H](CCC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612236611 MEHWNCAIVDMYRA-YJBOKZPZSA-N 284.403 3.723 30 20 CHED CC[C@@H](NC(=O)c1ccc(CC#N)cc1)C1CCCCC1 611147564 BQXQTJNXHZYDFP-QGZVFWFLSA-N 284.403 3.841 30 20 CHED C=CCCC1(C(=O)NCC2(CCOCC)CCCC2)CC1 356417618 XEKSGUNBBDXSQJ-UHFFFAOYSA-N 293.451 3.836 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CC23CCC3)cc1 610739206 ZRGYIJVZNWOJJI-HZPDHXFCSA-N 296.414 3.855 30 20 CHED CC#CCNC(=O)CCCCc1ccc(Cl)c(Cl)c1 536524759 IOGGZTMBSSLJKR-UHFFFAOYSA-N 298.213 3.846 30 20 CHED CC1(C)c2ccccc2CCN1C(=O)c1cc(C#N)cs1 358996714 NRCQXAPVYQXMHB-UHFFFAOYSA-N 296.395 3.553 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)nn1C(C)(C)C 532090036 UODXARHIOBGKAA-UHFFFAOYSA-N 275.396 3.653 30 20 CHED Cc1cc(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)ccc1C#N 443993553 KCPZFTRDVGJBSJ-DLBZAZTESA-N 286.419 3.550 30 20 CHED C=CCN(C(=O)NC[C@H](c1ccccc1)C(C)C)C1CC1 537855297 ZEMDDVLKSHAOQX-KRWDZBQOSA-N 286.419 3.786 30 20 CHED COC(=O)c1cc(NCc2ccccc2C#N)cc(C)c1C 352027433 OXFIVAVEOCRENK-UHFFFAOYSA-N 294.354 3.574 30 20 CHED C[C@@H](NC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 619428735 SJOZIGXLLGLUKF-CZUORRHYSA-N 299.418 3.839 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1CCCC(C)(C)C#N 611554285 KFHNYRPTCBXSRS-NWDGAFQWSA-N 276.346 3.979 30 20 CHED C=CCCOCC(=O)Nc1ccc2ccn(C(F)F)c2c1 617990274 ALOVYRLEZPJPDL-UHFFFAOYSA-N 294.301 3.568 30 20 CHED C=CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC1 539035620 SCSYITRDGGHKEU-RBSFLKMASA-N 261.409 3.770 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 366717048 CPUZTIWDIJGSOH-CWLKWCNXSA-N 298.430 3.967 30 20 CHED C[C@@H](NC(=O)N(C)CC1CCCCC1)c1cccc(C#N)c1 610356146 KWKMWIANCPPVRL-CQSZACIVSA-N 299.418 3.841 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 617788418 IQLNGHQXPAZRAY-LBPRGKRZSA-N 293.794 3.777 30 20 CHED C=CCC1(C(=O)N2CCC(C)(OCC)CC2)CCCCC1 451932243 SIXOCNFMEXCDKA-UHFFFAOYSA-N 293.451 3.931 30 20 CHED C=CCCC1(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)CC1 361689646 OXSYLBQNYCAXEJ-RDJZCZTQSA-N 299.414 3.721 30 20 CHED COc1ccc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1C#N 542052467 QRPUFQKPCMUZRM-RRQGHBQHSA-N 284.403 3.577 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1C[C@H](C)Sc2sccc21 453349480 LLKOVSQEFCLEOL-GHYVTOPFSA-N 295.473 3.997 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCCCCC(=O)C2)CCCCC1 456361721 GJKZBDZZVPJQFT-OAHLLOKOSA-N 291.435 3.921 30 20 CHED N#CC1(c2nc(-c3cccc(Cl)c3F)no2)CCCC1 274158357 GWCCIVXSBHNZBA-UHFFFAOYSA-N 291.713 3.864 30 20 CHED CCc1sc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1C 272407987 KTEQYKKHMGDONP-OAHLLOKOSA-N 278.421 3.677 30 20 CHED C=CCOCCN(Cc1cccc(Cl)c1)C(C)C 549767624 FEKJPDFFNQIDPZ-UHFFFAOYSA-N 267.800 3.753 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1cc(C)ccc1OC 458719620 BDHDJXFGYDKJLE-KBPBESRZSA-N 290.407 3.719 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OC(F)F)c(F)c1 454502822 TVADAKXBGQHJJX-UHFFFAOYSA-N 288.269 3.515 30 20 CHED CN(CC1(C#N)CCC1)[C@H]1CCC[C@H]1c1ccccc1 459714359 VACSEJRTIXAQOG-IRXDYDNUSA-N 268.404 3.948 30 20 CHED C=CCCC1(C(=O)N[C@H](C)CCCc2cccnc2)CC1 457954700 XMWMGXVMWYGIMH-OAHLLOKOSA-N 286.419 3.655 30 20 CHED CCCC[C@@H](COC)Nc1ncc(Cl)c(C)c1C#N 542208891 UNYFDCHPIGDGMC-NSHDSACASA-N 281.787 3.532 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H](C)c1ccc(C)cc1 628258525 HLJFAMBHCOGTBA-NXHRZFHOSA-N 273.420 3.669 30 20 CHED CCC[C@H](NCc1ccc(C#N)cc1)[C@H](O)c1ccccc1 279607238 FFIHQKKEUUKQAV-RBUKOAKNSA-N 294.398 3.550 30 20 CHED Cc1ccc2sc(C(=O)NCC(C)(C)CC#N)cc2c1 458015765 DTKLMIFWBUUMSF-UHFFFAOYSA-N 286.400 3.879 30 20 CHED CC(C)(C)[C@H](NCc1cccc(C#N)c1F)C(F)(F)F 546629194 HXWYSSAXHIAUDC-LBPRGKRZSA-N 288.288 3.764 30 20 CHED C=C(CC)CNC(=O)c1cnn(C2CCCC2)c1CCC 456813202 PQVDATKIRIELBM-UHFFFAOYSA-N 289.423 3.647 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCC(CC#N)CC1 543666142 COMZFGGKFGKAQC-CYBMUJFWSA-N 264.413 3.601 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1ccc(F)cc1F)OCC 270144589 SXLIOCRPKGFUDO-XHDPSFHLSA-N 297.345 3.513 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1nnc(C(C)(C)C)s1 271563659 YAQXHDIBBDNFRC-GHMZBOCLSA-N 267.442 3.526 30 20 CHED CCC[C@@H](C)N(C)c1ncc(Cl)c(C)c1C#N 544143378 JLCCMORQSBFWCE-SECBINFHSA-N 251.761 3.540 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)cc(F)c1 464083728 VKSXXNKSXQUWHR-UHFFFAOYSA-N 263.356 3.953 30 20 CHED C=CCOCCN(C)C1c2ccccc2-c2ccccc21 549527904 XWQMHNXPMDPVOY-UHFFFAOYSA-N 279.383 3.891 30 20 CHED CC[C@H](NCCCc1cccc(C)n1)c1ccc(C#N)cc1 287529374 OXBIORQRKBLPQX-IBGZPJMESA-N 293.414 3.935 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1cc(C)cc(C)c1 468016343 KAFKBNOZBBYLOW-QGZVFWFLSA-N 259.393 3.564 30 20 CHED CC[C@@](C)(C#N)c1nc([C@@H]2CCCc3ccccc32)no1 285376546 OLQUAWOLHKHSTL-PBHICJAKSA-N 281.359 3.729 30 20 CHED C=CCC[C@@H](CC)NCCc1cc(C(F)(F)F)ccn1 559894058 QRVONNNXJCUIRX-CYBMUJFWSA-N 286.341 3.977 30 20 CHED N#CC1(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)CCCCC1 280725008 QKFKYIYUUZAKKR-WKILWMFISA-N 282.387 3.523 30 20 CHED C/C=C/c1ccc(NC(=O)c2sccc2C#N)cc1 557957086 IIXQUFRXISBUDF-NSCUHMNNSA-N 268.341 3.905 30 20 CHED CCCN(CC#N)C(=O)CCc1ccc2ccccc2c1 299120965 DBXPANIJODJJGP-UHFFFAOYSA-N 280.371 3.535 30 20 CHED C=CCC[C@@H](CCC)NC[C@H]1CCC[C@@H](CO)C1 554140448 BHXGCCOAPLVNGE-ARFHVFGLSA-N 253.430 3.510 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cccc(-c2ccccn2)c1 802841963 ROPVJVHQZUQQSR-SFHVURJKSA-N 294.354 3.732 30 20 CHED C#Cc1ccc(CN(CC)Cc2ccc(OC)cc2)cc1 809545965 UYZHTRQZWCLDHR-UHFFFAOYSA-N 279.383 3.699 30 20 CHED C[C@@](C#N)(NC(=O)[C@H]1CC12CCCC2)C1CCCCC1 550748068 OAKVYYNFXXNZHR-ZBFHGGJFSA-N 274.408 3.545 30 20 CHED CC[C@H]1CCC1=NN[C@H](C)CCc1ccc2c(c1)OCO2 807987451 GFXIOZLBMLLANF-OCCSQVGLSA-N 288.391 3.502 30 20 CHED CCC1(CC)CN(C(=O)Nc2ccc(C#N)cc2Cl)C1 297214339 VSEDADRMWVVVDD-UHFFFAOYSA-N 291.782 3.866 30 20 CHED C=CCCCCCCNC(=O)c1sc(C)cc1OC 805219906 AFSQUFABDPGJDI-UHFFFAOYSA-N 281.421 3.931 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 295203264 LBYSCMNJYUALGF-ZETCQYMHSA-N 292.326 3.551 30 20 CHED C=CCC1(C(=O)NC[C@H](C)c2ccncc2)CCCCC1 649077921 HTMJBUFRPOTOMB-HNNXBMFYSA-N 286.419 3.828 30 20 CHED CC[C@@H](CC#N)NCCCc1ccccc1Cl 569707041 XDFHPQOEZJSZOP-ZDUSSCGKSA-N 250.773 3.554 30 20 CHED C[C@@H](CCC#N)N(C)Cc1c(F)cccc1Cl 297739381 CZTXDMGPVXSTPV-JTQLQIEISA-N 254.736 3.603 30 20 CHED Cc1ccc2snc(C(=O)NC3(C#N)CCCCC3)c2c1 293394356 LAYYWDWWJKDXRC-UHFFFAOYSA-N 299.399 3.561 30 20 CHED N#CCOc1cccc(NCc2ccc3occc3c2)c1 809635483 HGLVDHLGXHQYCG-UHFFFAOYSA-N 278.311 3.947 30 20 CHED N#CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 563828347 SPRGJGDQEABOOH-YESZJQIVSA-N 288.435 3.745 30 20 CHED Oc1nc2ccccc2cc1/C=N/C[C@H]1CCCSC1 806552080 PDJKWZUDGPESAG-YXHQGMJNSA-N 286.400 3.503 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 473572157 WRSQUMATZBVPBE-ZMSDIMECSA-N 281.440 3.546 30 20 CHED CN(Cc1cc2ccccc2o1)[C@@H]1CC[C@@H](C#N)C1 292833123 OYMAZXUAMMXXFR-TZMCWYRMSA-N 254.333 3.557 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)cc1SC 648620288 FAVGANJXGNIIHW-UHFFFAOYSA-N 265.353 3.680 30 20 CHED C=CCCC1(C(=O)N2CCc3c(Cl)cccc32)CC1 476259110 LQBSDJXNXASMML-UHFFFAOYSA-N 275.779 3.976 30 20 CHED C#CCC1(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)CCCCC1 809338112 RCRJSAZJKWGGLQ-PBHICJAKSA-N 297.398 3.599 30 20 CHED C=C(C)CN(CC)C(=O)CNc1c(C)cc(C)cc1Cl 642186866 JQSMEYPWYKJHKA-UHFFFAOYSA-N 294.826 3.793 30 20 CHED C=CCOCCOC(=O)[C@H](C)c1ccc2ccccc2c1 813894413 KLZBGQBNXLDDKI-CQSZACIVSA-N 284.355 3.689 30 20 CHED C=CCNC(=O)[C@H](C)Nc1ccc(-c2ccccc2)cc1C 642195800 KOACVLZTNKQTFK-HNNXBMFYSA-N 294.398 3.765 30 20 CHED C=CCn1cccc1C(=O)N(C)c1ccc(F)c(Cl)c1 489957603 VGLAISQVRXEZAH-UHFFFAOYSA-N 292.741 3.743 30 20 CHED CC[C@@H](C=NNc1cc(C)ccn1)c1ccccc1 814868532 WXJOQPDJFVKCLQ-AWEZNQCLSA-N 253.349 3.982 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2F)cc1C 812373387 UZFTXAMRISZWIB-UHFFFAOYSA-N 276.286 3.728 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1C[C@H]1c1ccccc1C 651077318 JQJZEZQDBHSGIM-VNQPRFMTSA-N 272.392 3.505 30 20 CHED C#CC[C@@H](NCc1cccc(O)c1Cl)c1ccccc1 815133448 ZEYSJZPUXXWNDF-OAHLLOKOSA-N 285.774 3.900 30 20 CHED C=C(CC)CN1CCc2c(ncn2-c2ccc(C)cc2)C1 488011533 RKNNGOLHZMQGAL-UHFFFAOYSA-N 281.403 3.505 30 20 CHED CC[C@@H](C)CON=C(C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814939113 FNLKRTPTKPQAAA-RTXFEEFZSA-N 269.385 3.562 30 20 CHED N#CCc1cccc(NC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1 578121376 WIQSCNIRIWWQEC-RDJZCZTQSA-N 297.402 3.700 30 20 CHED CCCC(=NNc1ccc([N+](=O)[O-])cc1)c1cccnc1 814683782 PSTVBJGDOONRAM-UHFFFAOYSA-N 284.319 3.606 30 20 CHED C=CCCCCCCCNC(=O)c1cc(O)nc(CC)c1 811590223 UKIGTDXSGHOHAO-UHFFFAOYSA-N 290.407 3.606 30 20 CHED CC[C@H](C)Oc1cc(C=NOCC2CC2)ccc1OC 814243562 CLXBAKJRQCLBPJ-LBPRGKRZSA-N 277.364 3.633 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1O 815588685 VXEYCOWNYHNGEB-RKDXNWHRSA-N 259.271 3.636 30 20 CHED C[C@H](CN(C)C(=O)c1cccc(F)c1C#N)c1ccccc1 488369936 UDCFZLZNMSJDOF-CYBMUJFWSA-N 296.345 3.573 30 20 CHED N#CCOc1ccc(CSc2nc3ccccc3[nH]2)cc1 729241918 JJHKIMQGHRTUNT-UHFFFAOYSA-N 295.367 3.758 30 20 CHED C[C@@H]1COC[C@@H](c2ccccc2)N1CC#Cc1ccccc1 484063766 GQTLPYIOUSHZEA-XLIONFOSSA-N 291.394 3.500 30 20 CHED C=CCCN[C@@H](C)CC(=O)Nc1ccccc1C(C)C 658116949 PCTJCWGHBQAPNT-AWEZNQCLSA-N 274.408 3.693 30 20 CHED CC(C)(CCNC(=O)c1ccc(C#N)c(Cl)c1)C1CC1 575898284 QMVKWKAMNPJEMN-UHFFFAOYSA-N 290.794 3.768 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2COc3ccccc32)CCCC1(C)C 573035204 YBDAAMQPUGSWCT-RDJZCZTQSA-N 299.414 3.756 30 20 CHED CCCCc1nc(C[S@](=O)CCC(C)(C)C#N)cs1 570020261 LMGKIASPRWNADI-LJQANCHMSA-N 298.477 3.674 30 20 CHED C=CCN(CCc1ccco1)C(=O)Cc1ccc(CC)cc1 490245308 PWODLZDWPZECTO-UHFFFAOYSA-N 297.398 3.642 30 20 CHED C=C(C)CN(C)C(=O)NCC(C)(C)c1ccc(C)cc1C 494458750 SMNSCVJTMKTJRZ-UHFFFAOYSA-N 288.435 3.799 30 20 CHED CCC[C@H](CC)C(=O)N[C@H](C)c1cccc(C#N)c1 820444393 AUUVCXRZSYJKBB-OCCSQVGLSA-N 258.365 3.562 30 20 CHED C=CCN(C(=O)Nc1ccc2nc(OC)ccc2c1)C(C)C 727595810 ROLPYTBRIXJGTI-UHFFFAOYSA-N 299.374 3.672 30 20 CHED CCC(C)=NNc1ccc(C#N)c(C(F)(F)F)c1 726425824 JEHLPYMPKBLCPJ-UHFFFAOYSA-N 255.243 3.775 30 20 CHED C=CCN(C(=O)c1sc(C)cc1OC(F)F)C(C)C 733916441 GKENRCCKDLQDFN-UHFFFAOYSA-N 289.347 3.695 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(F)ccc1OC 666504135 JYKOMLKPHPHBKD-UHFFFAOYSA-N 280.343 3.701 30 20 CHED CC1(C)C[C@@H]1C(=O)N(O)Cc1cccc2ccccc12 901369912 JRIGUDMRIFCIBV-OAHLLOKOSA-N 269.344 3.604 30 20 CHED CC(C)[C@@H]1N(C(=O)NCC(C)(C)CC#N)CC12CCCC2 583857632 SQPSFONSMLQRCV-AWEZNQCLSA-N 291.439 3.536 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)CCCCCC#N)C1CC1 588923687 HRMDFHVNHXHSPU-KBPBESRZSA-N 264.413 3.886 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 497196654 BDPYPQDSBUTIMH-SOUVJXGZSA-N 276.424 3.601 30 20 CHED C=CC[C@H](C)Nc1nc2cc(C)nn2c2ccccc12 735076654 SMFMRFOQAYGWQH-NSHDSACASA-N 266.348 3.567 30 20 CHED CC(C)CC[C@@H](O)CNc1cccc(OCCCC#N)c1 581007380 NQIWOQQESNVHBW-MRXNPFEDSA-N 290.407 3.578 30 20 CHED C=CC1CCN(C(=S)N[C@H](CC)c2cccs2)CC1 734380997 RQDQZDVFCONTDW-CYBMUJFWSA-N 294.489 3.972 30 20 CHED C=CCC1(NC(=O)N(C)CC(C)C)CCCCC1 832437556 GKDRWUXLGISYGE-UHFFFAOYSA-N 252.402 3.563 30 20 CHED COc1cc2ccccc2cc1C=NNC1CCCC1 834954024 RBSDDQYVXUNWLG-UHFFFAOYSA-N 268.360 3.715 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1cnc2ccccc2n1 734295661 GSBHVYZWAKGRIH-UHFFFAOYSA-N 292.317 3.531 30 20 CHED N#Cc1sccc1C(=O)N1CCC(c2ccccc2)CC1 905777321 KAGJMKKURWDKLU-UHFFFAOYSA-N 296.395 3.640 30 20 CHED CCc1nc(C)c(CN[C@H](CC)c2cccc(C#N)c2)o1 902999865 QUGJHYZFASJLEQ-OAHLLOKOSA-N 283.375 3.658 30 20 CHED N#CC1(CCSCc2nncs2)CCCCC1 902555261 UMGSOBDBZXLLPQ-UHFFFAOYSA-N 267.423 3.635 30 20 CHED C=CCCCC(=O)OCCc1cccc2ncccc12 835657011 CDRSUPCKAQBXLX-UHFFFAOYSA-N 269.344 3.677 30 20 CHED CC(C)(C)OCc1ccccc1NCc1cc(C#N)ccn1 901432593 CTSQKQSODRZPAS-UHFFFAOYSA-N 295.386 3.880 30 20 CHED CC1(C#N)CCC(=NNc2ncnc3ccsc23)CC1 834964299 SRQMNIZOEDNSBD-UHFFFAOYSA-N 285.376 3.563 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(OCCC)cc1C 736962163 LJDFJFUWVDNTKF-UHFFFAOYSA-N 282.771 3.658 30 20 CHED Cc1ccc(NN=C2CCC[C@H]2Cc2ccccc2)nn1 735616057 VMRVMQABNPMMNJ-HNNXBMFYSA-N 280.375 3.596 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)OCCCCC#N 733867393 ZZEATUVOMDSMPB-AWEZNQCLSA-N 277.389 3.794 30 20 CHED CC[C@@H](SC)C(=O)Nc1cc2ccccc2cc1C#N 839434768 GSXLOAZEUUVRQY-OAHLLOKOSA-N 284.384 3.792 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)CCCC2CC2)cc1 594031495 QQABEJHBKXCZSH-KRWDZBQOSA-N 284.403 3.852 30 20 CHED CCCCCC(C)(C)C(=O)NCC(C)(C)CC#N 837889191 RFDGXAHBVIWDDL-UHFFFAOYSA-N 252.402 3.649 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C2CCC2)C1 591063352 RFUFIWXXLHQSTH-CXAGYDPISA-N 254.377 3.741 30 20 CHED C=CCN(C(=O)CSCc1cccc(Cl)c1)C(C)C 915148130 XGLZAYZOMKJZQL-UHFFFAOYSA-N 297.851 3.996 30 20 CHED CCCCc1ccc(CC(=O)OCCCCC#N)cc1 914622319 DZAPLOQEHNVILS-UHFFFAOYSA-N 273.376 3.809 30 20 CHED Cc1cc(C=NNc2ccc3ccccc3n2)c(C)[nH]1 917565175 NAEFOKXZPWHDAN-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C#CC[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(C)C 747189448 LYQQOFBVNMPIEJ-KRWDZBQOSA-N 283.371 3.692 30 20 CHED C=CCNC(=S)N(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 743004290 IYAPUIRBULSEKS-JKSUJKDBSA-N 288.460 3.623 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1ccc(C#N)cc1F 849847527 YHKPUSVULFSBJF-HNNXBMFYSA-N 281.302 3.659 30 20 CHED C#CC1CCN(C(=O)c2ccc(-c3ccc(C)o3)s2)CC1 843705347 BTHRKCXAKXONBR-UHFFFAOYSA-N 299.395 3.802 30 20 CHED C=C(Cl)COC(=O)[C@@H]1C[C@]12CCCc1ccccc12 745719508 HZEIJKROJHJAJZ-HOCLYGCPSA-N 276.763 3.576 30 20 CHED CCC[C@@H]1CCc2nc(NC(=O)[C@@H](C#N)CC)sc2C1 593444444 PSDCUYOQBNZVQB-GHMZBOCLSA-N 291.420 3.536 30 20 CHED N#CC1(CCN2CCC(F)(F)CC2)CCCCC1 591033963 UCVNNXKULZRSTK-UHFFFAOYSA-N 256.340 3.582 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 672463800 HLVJIUUUSDPGSF-WMLDXEAASA-N 286.419 3.713 30 20 CHED C#CCCCOC(=O)[C@@H](C)c1ccccc1C(F)(F)F 744049097 HQJZUIQQEGPVCE-NSHDSACASA-N 284.277 3.766 30 20 CHED N#C[C@@H](C(=O)CCCC1CC1)c1nc(C2CC2)cs1 842944419 KKHROQFNTCLKBT-LBPRGKRZSA-N 274.389 3.777 30 20 CHED N#CCC1(COc2ccc(Oc3ccccn3)cc2)CC1 596246268 IDBFGDLDVPTHHW-UHFFFAOYSA-N 280.327 3.947 30 20 CHED CC(C)[C@H]1CCCC1=NNc1nncc2ccccc12 747743791 GXKSNHWLXJGQLK-CYBMUJFWSA-N 268.364 3.854 30 20 CHED CCc1ccc(CNC(=O)CC2(C#N)CCCCC2)s1 596804136 VRPODEIKWHEQRJ-UHFFFAOYSA-N 290.432 3.791 30 20 CHED CCCCCCCC(=O)O[C@H](C)C(=O)Nc1ccccc1 919222332 YCHDJTCFYPVOCM-CQSZACIVSA-N 291.391 3.917 30 20 CHED CCCOc1ccc(COC(=O)C2(C#N)CCC2)c(C)c1 847916834 JDFGNZYESSQFNI-UHFFFAOYSA-N 287.359 3.521 30 20 CHED CCCCCCCCOC(=O)c1cnn(C)c1C1CC1 747114780 ULMMAPXNNDDFJG-UHFFFAOYSA-N 278.396 3.815 30 20 CHED COC[C@@H](CC(C)(C)C)Nc1ccc(CC#N)cc1 593615275 LHBHRGGXYLFRBP-OAHLLOKOSA-N 260.381 3.616 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 842676596 BGTJWLQFISXRLQ-XQQFMLRXSA-N 295.386 3.811 30 20 CHED N#Cc1ccc(CCSCCOCC2CCC2)cc1 596374878 VCENGFDYFHMDET-UHFFFAOYSA-N 275.417 3.651 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(C)c1 594173014 FRBSOJPSKGKAEK-CYBMUJFWSA-N 250.729 3.527 30 20 CHED C=CCN(C(=O)c1cc2c(C)cc(C)nc2s1)C1CC1 680398808 VMCLDJBNFGXQBE-UHFFFAOYSA-N 286.400 3.704 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1ccsc1)C2=O 742437097 PYOYKKIIXLVTLD-ZSOIEALJSA-N 265.337 3.832 30 20 CHED Cc1cc(NN=Cc2cccc(Cl)c2Cl)nc(C)n1 915970604 JAVKIHYENUMCNT-UHFFFAOYSA-N 295.173 3.846 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)C(C)(C)C 595648528 WVFRRBGSHQUMBY-KBPBESRZSA-N 279.428 3.536 30 20 CHED CCC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)OCC 599059690 JXWPGYPESXTTNE-JSGCOSHPSA-N 278.371 3.553 30 20 CHED CC(C)c1cccc(NC(=S)N(C)C[C@@H](C)C#N)c1 920994966 ODCREFMMKCUSAJ-LBPRGKRZSA-N 275.421 3.598 30 20 CHED CCCCCC[C@](C)(CCC)C(=O)N(C)CC#N 742601528 LSWDJGQRMZNFHC-HNNXBMFYSA-N 252.402 3.745 30 20 CHED C=C(C)CCOC(=O)C1(c2ccc(C)c(OC)c2)CCC1 744303371 XNCPQOGUTQQELX-UHFFFAOYSA-N 288.387 3.935 30 20 CHED N#CCCCOC(=O)CCc1c(Cl)cccc1Cl 847672652 XRACBFJBEFJRGS-UHFFFAOYSA-N 286.158 3.773 30 20 CHED C=C1CCC(c2nc(Cc3cccnc3Cl)no2)CC1 924242547 LXADOFUEDTVYHF-UHFFFAOYSA-N 289.766 3.923 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H]1SCCc2ccccc21 925229458 GIKDBIPCJWYOMQ-XJKSGUPXSA-N 288.460 3.935 30 20 CHED CC(C)C[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 759389904 CYPGANPDCCMPFC-QGZVFWFLSA-N 286.419 3.847 30 20 CHED C[C@@H](CC(=O)O[C@H](C#N)C1CCCCC1)c1ccco1 859813835 OIMLEAIJUYBKJY-SWLSCSKDSA-N 275.348 3.789 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(CN2CCCC2=O)cc1 925744212 HTSUBEVLXOSSRM-CQSZACIVSA-N 299.418 3.549 30 20 CHED CCc1cccc2c1OCC[C@@H]2N[C@@H](C)CC(C)(C)C#N 925361358 OEJHNKYQCOHJTK-BBRMVZONSA-N 286.419 3.991 30 20 CHED Cc1csc([C@H](C#N)C(=O)Cc2cc3ccccc3o2)n1 920104118 OQUXHLYPXURBGW-CYBMUJFWSA-N 296.351 3.617 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCc2ccc(C)cc21 684893479 HJTUBQKRIHVKER-HOCLYGCPSA-N 272.392 3.636 30 20 CHED C/C(C=Nn1cc(Br)cn1)=C\c1ccccc1 752748116 SOCMCHVWWTYYHY-TZSGXZTKSA-N 290.164 3.583 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cnn(-c2ccccc2)c1 925943616 RDAVICMOIAWRJE-CYBMUJFWSA-N 268.364 3.613 30 20 CHED CCC(CC)NN=Cc1ccc(C)cc1Br 753700309 FNCRDCFSQAIXRS-UHFFFAOYSA-N 283.213 3.870 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(C)c([N+](=O)[O-])c1 920385395 BXBVUWWNSIMHNL-CYBMUJFWSA-N 297.358 3.978 30 20 CHED C=C(CNCc1cc2ccccc2[nH]1)c1ccccc1 683926440 GMBQWFRPNSTJOP-UHFFFAOYSA-N 262.356 3.971 30 20 CHED CC1(C)CC(=NNc2ccc(F)cc2)C(C)(C)O1 755872686 RLXADQAAMCSTDT-UHFFFAOYSA-N 250.317 3.571 30 20 CHED CCOc1ccc(C=NOCc2ccc(F)cc2)cc1 852202354 FBNVAQSFAABZQH-UHFFFAOYSA-N 273.307 3.775 30 20 CHED CC(C)CC1(NCc2ccc(N(C)CCC#N)cc2)CC1 850404569 OALMKXFRYVXKDV-UHFFFAOYSA-N 285.435 3.705 30 20 CHED CCCN(Cc1ccccc1O)[C@@H](C#N)c1ccccc1 851793150 XFAGTEIYIGSPIH-KRWDZBQOSA-N 280.371 3.869 30 20 CHED C#CCCCC(=O)OCc1csc(C2CCCC2)n1 759172856 BZOZEAAYENYEBN-UHFFFAOYSA-N 277.389 3.647 30 20 CHED C[C@H](NN=C[C@@H]1CCOc2ccccc21)c1ccccc1 752164970 RFEJOKQRQYGYAD-HOCLYGCPSA-N 280.371 3.889 30 20 CHED CC(CCCC(F)(F)F)=NN1CCCC[C@H]1C 853379868 MSRIBLZPCOSRCB-LLVKDONJSA-N 250.308 3.969 30 20 CHED CC1(C)CCC[C@H](C=NNC(=S)Nc2cccnc2)C1 752718792 MTNWBBOYLQYWCV-LBPRGKRZSA-N 290.436 3.570 30 20 CHED CC(CC1CCCC1)=NN=c1cc[nH]cc1Cl 752735494 UCLCVMSMPLBMQC-UHFFFAOYSA-N 251.761 3.525 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C1\CC[C@H](C)C1 753611064 QDGCGBHXYCWDAT-YEQVNJDRSA-N 285.387 3.614 30 20 CHED CCN(C[C@H](O)c1ccc(C)cc1)[C@@H](C#N)c1ccccc1 851789927 GBNRRWLTJAMRPY-OALUTQOASA-N 294.398 3.615 30 20 CHED C=C(Cl)CN1CCC(c2cccc(F)c2)CC1 752092393 JUVACCVAWKLNOY-UHFFFAOYSA-N 253.748 3.758 30 20 CHED C/C(=C/C(C)(C)C)C(=O)O[C@H](C)CC(C)(C)C#N 851205741 JKHLRDPITHBAAK-NXIHDVOMSA-N 251.370 3.850 30 20 CHED C=C1CN(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 930897297 PVGGGNDVJFOZME-UHFFFAOYSA-N 290.672 3.763 30 20 CHED C#C[C@H](C)N(C)C(=O)Cc1csc2ccc(Cl)cc12 767259122 MGMWUDUZZAEEFF-JTQLQIEISA-N 291.803 3.577 30 20 CHED C#CCNc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 762475203 IITVJUCPLRQHPH-UHFFFAOYSA-N 298.091 3.980 30 20 CHED COc1cc(C#N)ccc1COC(=O)C=C1CCCCC1 766883129 TZOLTDUYDFRDJM-UHFFFAOYSA-N 285.343 3.501 30 20 CHED Cc1ccc(C=NN[C@@H]2CCOC(C)(C)C2)cc1Cl 766478456 QHZWPZWAKGRAOX-CYBMUJFWSA-N 280.799 3.530 30 20 CHED COc1cc(/C=C/C(=O)c2ccco2)cc(Cl)c1O 769772355 XWKKSZYRCUHEQA-SNAWJCMRSA-N 278.691 3.543 30 20 CHED C#CCCCCCC(=O)N[C@H]([C@@H](C)CC)C(F)(F)F 767100781 ANOLMJVFSFTTDR-WCQYABFASA-N 277.330 3.663 30 20 CHED C#CCOCCN(C)[C@H](C)c1ccc(Cl)c(Cl)c1 761112757 BKFXMMVXMMSUNB-LLVKDONJSA-N 286.202 3.636 30 20 CHED C[C@H]1CC/C(=C/C(=O)N(C)c2cc(Cl)ccc2C#N)C1 764274014 VGQNBZSBCIZXMI-LCFDYFRESA-N 288.778 3.921 30 20 CHED C[C@H](C=NNc1cc(C#N)cc(Cl)n1)c1ccccc1 768382712 XRKKXQYVKVXGNO-LLVKDONJSA-N 284.750 3.808 30 20 CHED CC(=O)c1ccccc1C(=O)OCCCCC(C)(C)C#N 768746548 SKQJGRXHMMNPGV-UHFFFAOYSA-N 287.359 3.766 30 20 CHED CCn1nc(C=NNc2ccc(F)cc2)c2ccccc21 769762785 KODPAASCXVXYEP-UHFFFAOYSA-N 282.322 3.641 30 20 CHED Cc1ccc(COC(=O)CCc2ccc(C#N)cc2)cc1F 766294141 WUCZDKWVLKPOMP-UHFFFAOYSA-N 297.329 3.682 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 766785573 VNNNEZBRLCFVFF-MNOVXSKESA-N 284.277 3.717 30 20 CHED C=CCCOC(=O)c1nc(C)sc1-c1ccccc1 778856942 BDBTXOVIGXYDIA-UHFFFAOYSA-N 273.357 3.851 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1cc(C)c(F)c(C)c1 770573409 XYUSWRQVXYAXSK-SREVYHEPSA-N 286.350 3.635 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 770060152 UITVSBVYMRYDCE-AWEZNQCLSA-N 294.354 3.964 30 20 CHED CCCn1nc(C)c(C=NN[C@@H]2CCCCC2(C)C)c1C 773122606 ARZCRZVLBVHCRN-MRXNPFEDSA-N 290.455 3.802 30 20 CHED COc1ccc2nc(NN=C3CCO[C@H](C)C3)c(C)cc2c1 777912996 GDPSPYDYXPGCOJ-GFCCVEGCSA-N 299.374 3.519 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H](C)n1ccnc1 1115900402 BMRMLSFTSZKMCS-HNNXBMFYSA-N 279.428 3.653 30 20 CHED COc1cc(C=NNc2cccc(F)c2)ccc1C 773053704 HBDXWQUOFQDCNX-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CC[C@@H](CC(=O)OCc1ccc(CC#N)cc1)C(C)C 776115507 YFULZWHOHPYEIB-INIZCTEOSA-N 273.376 3.868 30 20 CHED CCCCCCCOC(=O)[C@H](C)Cc1c(C)n[nH]c1C 772081738 NSCFSMBVWVZUGD-GFCCVEGCSA-N 280.412 3.719 30 20 CHED Cc1ncsc1C=NN[C@@H](Cc1ccccc1)C(C)C 777449496 WIWBTNQVKBTZLT-HNNXBMFYSA-N 287.432 3.642 30 20 CHED Cc1cc(C)c(C(=O)Oc2ccc(C#N)cc2)c(C)c1 876462565 MCPVXPLHTCSHDI-UHFFFAOYSA-N 265.312 3.703 30 20 CHED C#CCCCCCC(=O)NC(C)(C)c1ccc(F)c(F)c1 779974436 ZYLHHJUXOGPHQX-UHFFFAOYSA-N 293.357 3.900 30 20 CHED N#CCc1ccc(COC(=O)/C=C/c2cccs2)cc1 776113993 VDJSXFGKZLNETC-BQYQJAHWSA-N 283.352 3.571 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC(F)F)c(F)c1 779857906 QDCAPDAPWBOTAL-UHFFFAOYSA-N 299.292 3.949 30 20 CHED C=C(CC)COC(=O)Cc1ccc(F)cc1Cl 773543650 VZAOXFLSUJMWDT-UHFFFAOYSA-N 256.704 3.531 30 20 CHED CCC(CC)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887705913 DBMXSLRADKFONE-UHFFFAOYSA-N 284.403 3.700 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)CC2CCCCC2)n1 1129269984 YZCQSLLFZSOJRI-GFCCVEGCSA-N 285.391 3.807 30 20 CHED C=C1CCC(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)CC1 889085308 LKPRFZBDWSBQQU-UHFFFAOYSA-N 297.358 3.730 30 20 CHED C=CCN(C(=O)Nc1sc(CCC)nc1C)C(C)C 777016064 MFJBJNJLUZWWLS-UHFFFAOYSA-N 281.425 3.832 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCCCC1(C)C 1129071109 JJIHYPOXTBCDIH-HNNXBMFYSA-N 298.386 3.916 30 20 CHED Cc1cc(C(=O)/C=C/c2c(C)oc3ccccc23)n(C)n1 789156531 OZUUKVSAXFROEA-CMDGGOBGSA-N 280.327 3.679 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1cnc(Cl)cc1C#N 1121209891 OINCQGZKWUCDKA-JTQLQIEISA-N 279.771 3.617 30 20 CHED CCc1ccc([C@H](C)C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 1129609682 YPFRNGFSRPTGOA-LXZKKBNFSA-N 285.387 3.978 30 20 CHED Oc1ccc(Cl)cc1/C=N/C[C@@H]1CCCCS1 783682458 VUEJNKAGOZJUDA-AAWHYMEISA-N 269.797 3.750 30 20 CHED CCCCC[C@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 786836887 KUMPPSHFMWOFOY-SUMWQHHRSA-N 299.418 3.814 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC=C(c2cccc(C)c2C)CC1 891344516 XALABFXGYBFHFP-IBGZPJMESA-N 296.414 3.859 30 20 CHED CC(C)(C#N)CNC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 781930330 PIEPOCRCXRIUJL-ZIAGYGMSSA-N 293.455 3.688 30 20 CHED C=C1CC(c2noc(CCC(=O)c3ccc(C)cc3)n2)C1 896890733 NPMITJQCIOVSAP-UHFFFAOYSA-N 282.343 3.627 30 20 CHED C[C@@H](Nc1cccc2c1OCO2)c1ccc(C#N)c(F)c1 782779609 YFNXPBZWHHIEOW-SNVBAGLBSA-N 284.290 3.599 30 20 CHED CC#CCCCC(=O)OCc1ccc(Cl)c(F)c1 785697044 SNPFCFRJGBQYII-UHFFFAOYSA-N 268.715 3.716 30 20 CHED Cc1cc(C(=O)/C=C/c2cnn(C3CCC3)c2)oc1C 899370877 LNETVQWWYVHRFN-VOTSOKGWSA-N 270.332 3.714 30 20 CHED N#CCc1ccc(NC(=O)CCCc2ccsc2)cc1 783034140 WHMGSVQXHFNKIQ-UHFFFAOYSA-N 284.384 3.776 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(F)c(Cl)c1 787671276 UVGUJIYKXXMLAZ-SNVBAGLBSA-N 286.730 3.504 30 20 CHED C=C1CCC(C(=O)N2CCC=C(c3ccco3)C2)CC1 890505811 UNYPLXBXBDIGAP-UHFFFAOYSA-N 271.360 3.642 30 20 CHED Cc1cc(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)ncc1C#N 1130504514 QYXLWLFORAWTSK-SJCJKPOMSA-N 285.391 3.663 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCC1(C#N)CC1 797435088 MOVJBNAZBGDVLV-AWEZNQCLSA-N 279.428 3.586 30 20 CHED Cc1cccc(-c2cccc(C(=O)N(C)CCC#N)c2)c1 1136427474 NVFJHQBCYSAKOJ-UHFFFAOYSA-N 278.355 3.648 30 20 CHED C=CC(C)(C)Cc1nc(CCCSCC)no1 896265885 TUTLTMNWQLRIIU-UHFFFAOYSA-N 254.399 3.510 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccccn1 796784439 UXBZBFSUTGWGBN-QXSJWSMHSA-N 282.387 3.864 30 20 CHED C#CCCCCCC(=O)N1CCC(CC(F)(F)F)CC1 791323295 SBFPHGWDQUMKOA-UHFFFAOYSA-N 289.341 3.761 30 20 CHED CC(=NNc1cccc(F)n1)c1cc2c(s1)CCCC2 795008069 DVFLEKDJGXYPCV-UHFFFAOYSA-N 289.379 3.997 30 20 CHED C=C(CC)COC(=O)c1ncccc1Oc1ccccc1 799559621 JDNYCRGDMWDXID-UHFFFAOYSA-N 283.327 3.997 30 20 CHED C=CCC[C@@H](C(=O)O[C@H](C)C(=O)C1CC1)c1ccccc1 798653297 IEWVWJWQEJHBDE-CZUORRHYSA-N 286.371 3.647 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C(F)=C1CCCC1 799442437 LJEVPICFDQFNBJ-UHFFFAOYSA-N 273.307 3.824 30 20 CHED CC(C)(C)c1ccc(C=NNCCC(F)(F)F)cc1 794551670 HZZPOKJWKNNMOX-UHFFFAOYSA-N 272.314 3.860 30 20 CHED Cc1ccc(C(=O)Nc2nccc3ccccc23)cc1C#N 1157882182 ZDNLPCNPYLBAGS-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#Cc1ccccc1CSc1ccc(-c2ccco2)nn1 1307364447 GRQBSRBLLPPMKO-UHFFFAOYSA-N 293.351 3.901 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CC[C@H](C)CC2)c1 1525310686 JRCKYIQFYXFZHY-YEORSEQZSA-N 256.349 3.632 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1c(F)cccc1F 135682198 FXDNSFSIKVMKRV-VIFPVBQESA-N 278.327 3.749 30 20 CHED N#Cc1ccccc1CSCc1ccc([N+](=O)[O-])cc1 58238663 MFVYLWHZUROBKB-UHFFFAOYSA-N 284.340 3.900 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)cc(Br)c1 393841143 TWHCUAFCHBCMKX-CYBMUJFWSA-N 296.208 3.842 30 20 CHED C=C1CCN(C(=O)c2c(CC)oc3ccccc23)CC1 1319720824 JYLGKIKQMJDUGS-UHFFFAOYSA-N 269.344 3.787 30 20 CHED N#Cc1ccc(N[C@@H]2CC=CCC2)c(Br)c1 168563446 CREDAICHAQFXEE-LLVKDONJSA-N 277.165 3.841 30 20 CHED CCCCCCCC(=O)Nc1ccc(F)cc1C(=O)O 59082266 FPGXIXINEWTWHU-UHFFFAOYSA-N 281.327 3.823 30 20 CHED C[C@]1(c2ccccc2)CCC(=NNCC2CCOCC2)C1 1320494803 VYXPRWIRCOVEOT-SFHVURJKSA-N 286.419 3.500 30 20 CHED CC(C)Nc1nnc(Sc2cccc(F)c2C#N)s1 1321399264 ZEFXNGGSGJUOFW-UHFFFAOYSA-N 294.380 3.520 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2CCC23CCC3)cc1C#N 1180795640 XUEBLDYLDJBTHH-HNNXBMFYSA-N 299.374 3.871 30 20 CHED CC(C)(C)CN(CCC#N)C[C@@H]1CCC2(CCCC2)O1 573507542 GUNAIWZVWVUDLP-HNNXBMFYSA-N 278.440 3.740 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc2ccccc2c1 1338330197 VTOLCKPCANQPDT-INIZCTEOSA-N 266.344 3.604 30 20 CHED CC[C@@H](C#N)OC(=O)c1nc(-c2ccccc2)oc1C(C)C 1338536339 NMNCFGIOCVEMIF-ZDUSSCGKSA-N 298.342 3.924 30 20 CHED Cc1ccc2[nH]cc(CCNC(=O)CCCCCC#N)c2c1 1336229638 QIIAUVXMUCUBRE-UHFFFAOYSA-N 297.402 3.609 30 20 CHED N#Cc1ccccc1N(C(=O)[C@@H]1[C@H]2CCCC[C@H]21)C1CCC1 1338041797 FZQOPNMSQFDYFV-VQFNDLOPSA-N 294.398 3.880 30 20 CHED CC(C)(C(=O)O[C@@H](CC#N)c1ccco1)C1CCC1 1345982852 XSFJWJYCDCYYMY-ZDUSSCGKSA-N 261.321 3.604 30 20 CHED Cc1cc(C)cc(CCC(=O)[C@H](C#N)c2cccc(F)n2)c1 1357612710 ZBPXXRGVJLKDJQ-OAHLLOKOSA-N 296.345 3.647 30 20 CHED C#CC1CCN(C(=O)[C@H]2CCC[C@H]2Cc2ccccc2)CC1 1351035396 RPOZLWQZQBFWFZ-OALUTQOASA-N 295.426 3.517 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(F)ccc1F 1517351294 SNWRPRKZZVGJGT-LBPRGKRZSA-N 280.318 3.927 30 20 CHED C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N(CC)CC 1523981111 AQGNLDFONMHGFT-ZDUSSCGKSA-N 294.443 3.577 30 20 CHED CCC[C@@H](CC)C(=O)Nc1cc(C#N)ccc1OC(F)F 1528062633 FJDMRGBHDNCLNN-LLVKDONJSA-N 296.317 3.924 30 20 CHED N#Cc1ccc(NC(=O)c2nsc3ccccc23)cc1F 1460671602 CNSRFPZIMOBXLR-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CCCC[C@@H](CC)CC(=O)N(CC)[C@@H](C#N)CC 1536521856 PUANDOXMZGHYNS-ZIAGYGMSSA-N 252.402 3.744 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 1535893440 YLGKJZQPKCZQKB-SJORKVTESA-N 294.329 3.748 30 20 CHED C=C(Cl)CNC(=O)NCC1CCC(C(C)(C)C)CC1 1469284844 JFHPLPPEUNOMGD-UHFFFAOYSA-N 286.847 3.891 30 20 CHED CSC1(C=NNc2ccc(C(=O)O)c(Cl)c2)CCC1 1610381519 ZKCZXLMPVHESEA-UHFFFAOYSA-N 298.795 3.722 30 20 CHED C=C(Cl)CNC(=O)NCc1ccc(C)c2ccccc12 1478824912 STHFYTCCECXRSF-UHFFFAOYSA-N 288.778 3.700 30 20 CHED Cc1cc(N[C@@H](C)c2cccc(F)c2F)ncc1C#N 1612158127 MWMRRPUTDVTISC-JTQLQIEISA-N 273.286 3.713 30 20 CHED CO[C@H](CSc1ccc(C#N)cc1)Cc1ccccc1 1472976937 ATOLXTBEGCHDMV-INIZCTEOSA-N 283.396 3.908 30 20 CHED Cc1c(NCCCC(C)(C)C#N)ccc(F)c1C(=O)O 1610426237 HVBXGPYIWLOMDI-UHFFFAOYSA-N 278.327 3.574 30 20 CHED CCC1(C)CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 1626925852 VNRJHGNYNAGZKQ-UHFFFAOYSA-N 289.354 3.741 30 20 CHED Cc1cccc([C@H](C)NC[C@H](O)c2cccc(C#N)c2)c1C 1559705092 GVIQKEXCRHDKTF-KXBFYZLASA-N 294.398 3.559 30 20 CHED CCCOC1(CNC(=O)C(C#N)(CC)CC)CCCCC1 1629436080 DFPFHJNAPJZGQR-UHFFFAOYSA-N 294.439 3.562 30 20 CHED CC1CCC(C)(CNC(=O)c2csc(C#N)c2)CC1 1586699653 QIMLJQOKXTXDOG-UHFFFAOYSA-N 276.405 3.566 30 20 CHED CCCCCCCC(=O)Nc1ccc(F)c(C#N)c1 106925977 UEPQABFJQKQJDK-UHFFFAOYSA-N 262.328 3.996 30 20 CHED COc1ccc(NC(=O)c2sccc2Cl)cc1C#N 1595802077 DCQOPDBFRQPQMO-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCC1(NC(=O)Nc2cc(C#N)c(F)cc2F)CCCC1 1672608704 KYZGZZCXXRHUTP-UHFFFAOYSA-N 293.317 3.681 30 20 CHED CCC[C@@H](NC(=O)NCc1ccc(C#N)cc1)C1CCCC1 1679200218 RKJMGWBRMACWIV-QGZVFWFLSA-N 299.418 3.716 30 20 CHED N#Cc1cccc(Br)c1NC[C@H]1CCCS1 1642442240 ZDKNEQRIQBYGNB-SNVBAGLBSA-N 297.221 3.628 30 20 CHED Cc1cccc(C(=O)/C=C\c2cc(C(=O)O)ccc2F)c1 1776127325 PNUAZGSWRKAIPI-VURMDHGXSA-N 284.286 3.728 30 20 CHED N#Cc1ccc(OC(=O)C2(c3ccccc3)CCC2)c(F)c1 158065398 WZXVZQPEOGAHFB-UHFFFAOYSA-N 295.313 3.725 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1cc(O)ccc1O 205127953 SCGWMYSILISVPD-MVTUOISNSA-N 266.296 3.550 30 20 CHED CC(C)(C#N)CCN1CCC[C@H]1c1ccc(F)cc1 157553505 PKAPFCATLQHVJW-HNNXBMFYSA-N 260.356 3.902 30 20 CHED C[C@H](NC(=O)Nc1ccsc1)c1ccc(C#N)cc1 157139375 MIFQRUMDOBOCDW-JTQLQIEISA-N 271.345 3.502 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)Nc1sccc1C#N 157384340 MEZPRCRDJWJQGU-CYBMUJFWSA-N 292.404 3.686 30 20 CHED C=C[C@@H](CC(=O)N(C)CCC(F)(F)F)c1ccccc1 159435282 CHFJRHPMAFCSSJ-LBPRGKRZSA-N 285.309 3.757 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CCc2cc(O)ccc21 207933119 LVAQJRMLBKDCDB-JYRVWZFOSA-N 295.294 3.513 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1cccc(O)c1 209921441 ROYFYADNYVLPJX-FPLPWBNLSA-N 260.239 3.567 30 20 CHED CCOc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc1 915988963 QDVJOWLZAQUEFC-SXGWCWSVSA-N 296.322 3.716 30 20 CHED CCCCCCCCc1nc(C2(N)CCCC2)no1 115065825 UFIZLUKUACXHFL-UHFFFAOYSA-N 265.401 3.701 30 20 CHED N#CCN(CCCCc1ccccc1)C1CCCC1 228444380 IHVHAKRZQOHLNO-UHFFFAOYSA-N 256.393 3.777 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cc(Br)cs1 229855920 BWNLZPISQDQGCK-MRVPVSSYSA-N 287.226 3.711 30 20 CHED CCC1CCC(c2noc(-c3cc(C#N)c[nH]3)n2)CC1 230999083 HAKDLEVIPRVQAP-UHFFFAOYSA-N 270.336 3.620 30 20 CHED COc1ccc(C)cc1CNc1cc(C#N)ccc1C 50429833 VOGKUCSMJCJHFV-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C[C@H]1CCN(c2ccc(C#N)cc2Br)[C@H]1C 301883715 XZNNGZMPAPJJRE-UWVGGRQHSA-N 279.181 3.555 30 20 CHED C#C[C@@H](NCc1cscc1Br)C(C)(C)C 309082167 RFWPOFIKMXFNBQ-LLVKDONJSA-N 286.238 3.648 30 20 CHED C[C@H](CNCc1ccc(C#N)c(F)c1)c1ccccc1 404248705 IPPRNYQDXXOSLF-CYBMUJFWSA-N 268.335 3.591 30 20 CHED CCc1cc(C(=O)Nc2ccc(F)c(C#N)c2)sc1C 524456652 DPZSTASRQWJRAR-UHFFFAOYSA-N 288.347 3.882 30 20 CHED CCc1ccc(NC(=O)[C@](C)(C#N)CC)cc1Cl 557677168 QXDQVCWTHZZRAD-AWEZNQCLSA-N 264.756 3.781 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(-n2ccnc2)cc1 343502888 KYFLZDHVTUBOQX-ZBFHGGJFSA-N 269.392 3.878 30 20 CHED C=CCCCCN[C@H](C)c1ccc(OC)c(COC)c1 383543688 FHPXOYNLEIVILT-CQSZACIVSA-N 277.408 3.849 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 397683650 JJZLCVGHOJXDQZ-NSHDSACASA-N 266.747 3.605 30 20 CHED CC(C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32290684 YRIKTDBAYQUWFC-UHFFFAOYSA-N 294.354 3.732 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(F)c1 36832544 GRBDFPCMIPWQDU-MRXNPFEDSA-N 282.318 3.578 30 20 CHED Cc1ccc(C#N)c(N[C@@H](C)c2ccc(C)s2)n1 43395730 WFHKMQYWPXWPSX-NSHDSACASA-N 257.362 3.805 30 20 CHED C=CCOc1ccc(C(=O)NCc2ccc(C)s2)cc1 45937423 ILEQFXGEXLYLTM-UHFFFAOYSA-N 287.384 3.551 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 46911469 RRDATJUUYZMNGL-NWDGAFQWSA-N 296.292 3.865 30 20 CHED Cc1cccc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 49373205 DYJYBHXQCPOVHR-XJKSGUPXSA-N 290.432 3.530 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2sccc2C#N)cc1 52028660 UTYMGIJKQXDMBU-NSHDSACASA-N 284.384 3.673 30 20 CHED Cc1cc(C)c(CCNC(=O)c2sccc2C#N)c(C)c1 52031731 NTUORSWYFZZILJ-UHFFFAOYSA-N 298.411 3.518 30 20 CHED C[C@H](OC(=O)c1sccc1C#N)c1ccc(F)c(F)c1 52222973 IHQUZPPOHQZALK-QMMMGPOBSA-N 293.294 3.816 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(C#N)cc2F)cc1 53899152 LDJSGUOKWUMULI-UHFFFAOYSA-N 298.361 3.728 30 20 CHED C=C(Br)CN(C)[C@@H](C)c1ccc(OC)cc1 57752642 BMTPBYAQQOGTBI-NSHDSACASA-N 284.197 3.597 30 20 CHED C=C(C)CN(CC)C(=O)c1sc(C(C)(C)C)nc1C 61136803 MFWSJLTVBGSUPH-UHFFFAOYSA-N 280.437 3.787 30 20 CHED N#CCCCCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 66844834 IVRIXEUOBZXGBD-OAHLLOKOSA-N 296.773 3.546 30 20 CHED C[C@@H](CC#N)NCC1CCC(c2ccccc2)CC1 67407559 SHTJKFQISYMEKQ-UQPPLGOBSA-N 256.393 3.852 30 20 CHED CC(C)(C)c1nnc(SCc2ccc(F)cc2C#N)o1 77566517 CCIRDTSIZXVRFL-UHFFFAOYSA-N 291.351 3.670 30 20 CHED CCOc1ccccc1CSc1cc(C#N)ccn1 77906794 HNSOHDMYKRWBPA-UHFFFAOYSA-N 270.357 3.644 30 20 CHED N#Cc1ccc(OCC(=O)C2CCCCC2)c(Cl)c1 78728238 ZSTXRRTVHPPKJW-UHFFFAOYSA-N 277.751 3.740 30 20 CHED COc1cc(C#N)ccc1OCCS[C@@H](C)C(C)C 79081304 BEKDJXSWDRZRIX-LBPRGKRZSA-N 279.405 3.723 30 20 CHED C#CC[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C1CC1 79209057 OCRWBKYCXLEXPQ-GOSISDBHSA-N 295.382 3.836 30 20 CHED C#Cc1cccc(N(CC)Cc2cnc(Cl)s2)c1 79320306 ZLFKACLSSMJLON-UHFFFAOYSA-N 276.792 3.804 30 20 CHED N#Cc1cccc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 89269045 NVDGAMHXYJXTRH-GDBMZVCRSA-N 299.761 3.549 30 20 CHED COC(=O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C#N 91301854 RRAKPSYPUXWVED-UHFFFAOYSA-N 275.348 3.930 30 20 CHED C=CCn1c(C)nnc1SC[C@@H]1CCC[C@@H](C)C1 92199058 MXWWDHAPYKCHTD-DGCLKSJQSA-N 265.426 3.691 30 20 CHED C#CCN(Cc1ncccc1C)[C@H]1CCc2ccccc21 93159797 VBCXBQIXZXZNHO-IBGZPJMESA-N 276.383 3.513 30 20 CHED CC(C)CCN(c1ccnc(C#N)c1)C1CCCC1 94848329 FPKTYKAYEFBDHZ-UHFFFAOYSA-N 257.381 3.748 30 20 CHED C=CCCCSCC(=O)c1[nH]c(C)c(C(C)=O)c1C 117944429 IGXSCXLMTILXKS-UHFFFAOYSA-N 279.405 3.716 30 20 CHED C=CCC[C@H](NCCc1nc(CC)c(C)s1)C1CC1 120842517 VJOAZDLPBFNFPD-HNNXBMFYSA-N 278.465 3.891 30 20 CHED CO[C@H](C)c1nc(COc2cc(C#N)ccc2C)cs1 122926574 MDSQSMKLULISMF-LLVKDONJSA-N 288.372 3.610 30 20 CHED N#Cc1ccc(OC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1 131519546 RAUATTYXSHKPAG-QWHCGFSZSA-N 297.276 3.832 30 20 CHED CCC[C@H](CC)NC(=O)N[C@@H](CCC#N)c1ccccc1 132445627 PYEHRFWYRHNUCY-HOTGVXAUSA-N 287.407 3.909 30 20 CHED C=C(Cl)CNCc1csc(-c2ccc(F)cc2)n1 134792046 DOIIQLAALXFCHF-UHFFFAOYSA-N 282.771 3.791 30 20 CHED C=CCCC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 134972629 ZCUFEUJUDFYRRX-GFCCVEGCSA-N 265.784 3.696 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCOC2(CCCCC2)C1 135254391 GPLAMIBMFMMTRN-OAHLLOKOSA-N 288.366 3.991 30 20 CHED CC(C)[C@H](C)N(C(=O)Nc1ccc(C#N)cc1)C1CC1 152746554 IKEFGAAJGBUFRZ-LBPRGKRZSA-N 271.364 3.599 30 20 CHED N#CCC[C@@H](C#N)COc1cccc(C(F)(F)F)c1 152798726 YJXOEKOCPLRVRZ-JTQLQIEISA-N 268.238 3.528 30 20 CHED C=CCN(C(=O)Cc1c(F)cccc1F)c1ccccc1 155278321 AFSIKBOAXXKWAQ-UHFFFAOYSA-N 287.309 3.727 30 20 CHED C=C(C)CNC(=O)Nc1cccc(OC2CCCC2)c1 156396677 UTTWNTOQZLQXMP-UHFFFAOYSA-N 274.364 3.706 30 20 CHED CC(C)(C#N)C(=O)O[C@H]1CCc2c(OCC3CC3)cccc21 157157689 LNRKLUXOHIFSIQ-INIZCTEOSA-N 299.370 3.556 30 20 CHED C[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 157683726 MGHKJLXEVDYWPU-OAHLLOKOSA-N 272.392 3.601 30 20 CHED COc1ccc(C)cc1NCc1ccc(O[C@H](C)C#N)cc1 157786523 WBHZHYQQIVWDAU-CQSZACIVSA-N 296.370 3.907 30 20 CHED C=C(C)CN(CC)Cc1c[nH]nc1-c1c(F)cccc1F 158994028 CSSPAISDWDYROT-UHFFFAOYSA-N 291.345 3.753 30 20 CHED COc1ccccc1SCC(=O)c1cccc(C#N)c1 160837060 SROWYUASUGEWBU-UHFFFAOYSA-N 283.352 3.542 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 160940683 GNPXLEGWLXUKSF-MNOVXSKESA-N 284.186 3.789 30 20 CHED C=CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 161465082 OWKGFTPBSBRLBS-NWDGAFQWSA-N 284.186 3.741 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C)cc1Br 162109973 BZXSQJAAHRTWHV-UHFFFAOYSA-N 296.208 3.796 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)c1ccc(N(C)C)cc1 168270452 HKRWTIWZZLEESK-LBPRGKRZSA-N 283.350 3.936 30 20 CHED CCc1cccc(CC)c1NC(=O)NCCCCC#N 171359297 AKTDTBRDLQEIAF-UHFFFAOYSA-N 273.380 3.627 30 20 CHED C[C@@H](CNCc1cccc(C#N)c1)Sc1ccccc1 174608397 WPLVTGFHWCVAEG-AWEZNQCLSA-N 282.412 3.829 30 20 CHED CC(C)c1ccc(-c2ncc(CN(C)CC#N)s2)cc1 174838284 NRUZQQVAQGZVSY-UHFFFAOYSA-N 285.416 3.889 30 20 CHED CCCO[C@H]1CCCN(CCCC(C)(C)C#N)CC1 174853439 GLXJGCFYYGYYKY-HNNXBMFYSA-N 266.429 3.597 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(O[C@@H](C)CC)cc1 175429678 BYHGFFPBMDVDAU-AWEZNQCLSA-N 275.392 3.902 30 20 CHED CCc1ccc(C(C)(C)C(=O)N(CC)C[C@H](C)C#N)cc1 175580581 MWDZRTSOISICEE-CQSZACIVSA-N 286.419 3.535 30 20 CHED CCC1(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CCCC1 176764120 JMAGXNKYSPQXPP-GFCCVEGCSA-N 282.343 3.974 30 20 CHED N#Cc1ccc(CNCc2cccc(OC(F)F)c2)s1 176964228 JHNAGGLAYPOWRV-UHFFFAOYSA-N 294.326 3.511 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCc1cccc(C#N)c1 177582797 ZATRUZYXZHIJKA-HUUCEWRRSA-N 264.372 3.840 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1ccc2ccccc2n1 177898259 JDGKYNPCYOAVIP-AWEZNQCLSA-N 287.366 3.957 30 20 CHED Cc1cccc(OCCC(=O)Nc2cccc(C#N)c2C)c1 178391238 JUYOZDRVTXWRLN-UHFFFAOYSA-N 294.354 3.583 30 20 CHED C#CCCCNCc1cc(Cl)c(OC)cc1Cl 179306251 CSJDQFNWGDVONG-UHFFFAOYSA-N 272.175 3.505 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 179739912 TUMVQRNLYOWKJV-OAHLLOKOSA-N 294.354 3.786 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)/C=C/c2ccc(Cl)s2)C1 179964440 KFWALQREHLAJHM-NEPGKVPFSA-N 281.764 3.650 30 20 CHED N#Cc1ccc(C(=O)Nc2cncc(Cl)c2Cl)cc1 180089296 LIWNYDWXVKCJIV-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)NC1(C#N)CCCCC1 180148489 DAXRUXVQYWYYCI-INIZCTEOSA-N 298.430 3.988 30 20 CHED C=C(C)CN(C)C(=O)c1csc2c1CC[C@@H](C)C2 180428680 GYYJZRHEIJJDBH-LLVKDONJSA-N 263.406 3.521 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(SC)cc1 182588600 KRTXXPBUBOQYPV-LBPRGKRZSA-N 263.406 3.883 30 20 CHED CCc1ccc2c(c1)[C@H](OC(=O)C1(C#N)CCCC1)CCO2 183773906 SZAFELLPGFTPSW-MRXNPFEDSA-N 299.370 3.700 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 183789069 YJUJAFLKSYHUGX-SWLSCSKDSA-N 292.810 3.717 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)N[C@@H](CC)CC#N 183943158 VSNKLWXCKXACED-LBPRGKRZSA-N 294.782 3.551 30 20 CHED C=C(C)[C@@H](NC(=O)C1[C@H]2CCC[C@@H]12)c1ccc(F)c(F)c1 184838263 DSDOLQBDIITTSB-VPACOFPVSA-N 291.341 3.744 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1C[C@@]1(C)C(C)C 185209185 LPUCROAVDNOQJS-ZBFHGGJFSA-N 277.433 3.945 30 20 CHED COc1ccccc1OCc1ccc(Cl)cc1C#N 185234059 JRBIKXCCQQUAMB-UHFFFAOYSA-N 273.719 3.799 30 20 CHED N#C[C@H]1CCC[C@H](NCc2csc(-c3ccccc3)n2)C1 185799719 JYQVJVTVVJORQB-ZFWWWQNUSA-N 297.427 3.982 30 20 CHED Cc1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)o1 187298694 XYAFFCBWBBAJOK-UHFFFAOYSA-N 288.391 3.817 30 20 CHED CC[C@H](C#N)OC(=O)CC1(CSc2ccccc2)CC1 187529404 YNEHDTQZZACTDF-CYBMUJFWSA-N 289.400 3.794 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)C[C@@H]1C=CCCC1 188604080 BMPFYPYZWAFXNL-MJGOQNOKSA-N 296.414 3.764 30 20 CHED C=CC[C@@H](C(=O)N(C)CCC1CC1)c1ccccc1 188741243 JWYZYCIAGCEWMH-MRXNPFEDSA-N 257.377 3.605 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CC1 188810981 LUFOWZZKCCZBHX-CMPLNLGQSA-N 292.329 3.535 30 20 CHED C=C[C@@H](CC(=O)O[C@@H]1CCc2cccnc21)c1ccccc1 189407201 ZLKUURUTWXLRJA-WMLDXEAASA-N 293.366 3.972 30 20 CHED C[C@H]1CSC(S[C@H](C)c2cccc(C#N)c2)=N1 189874028 XEIJEVZVIJHSPR-VHSXEESVSA-N 262.403 3.844 30 20 CHED N#Cc1ccc(CNc2cc(F)c(F)c(F)c2)cc1F 190379718 KYQOUMGZQYJDHC-UHFFFAOYSA-N 280.224 3.727 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2)C1 192623172 QAFMPXGXIVULGT-GXTWGEPZSA-N 282.309 3.877 30 20 CHED CCn1cc(C(=O)/C=C/c2cc3ccccc3o2)cn1 195175602 WPZKXAAWFWPGNP-BQYQJAHWSA-N 266.300 3.545 30 20 CHED CCc1cccc(OCCOc2ccc(C#N)cc2OC)c1 195582982 KHNABGUXDHNSES-UHFFFAOYSA-N 297.354 3.587 30 20 CHED C=CCC[C@@H](C)NCc1c(Cl)cccc1OC 234935837 QXQGCFHTSHTGTH-LLVKDONJSA-N 253.773 3.793 30 20 CHED C#CCOc1ccc(CNC[C@H]2C[C@H]2c2ccccc2)cc1 236693336 CMPQMVPPYPPPEF-QUCCMNQESA-N 291.394 3.592 30 20 CHED CC(C)c1nc(CNc2ccc(CC#N)cc2)cs1 236853475 XUOUKYXYNWGUTA-UHFFFAOYSA-N 271.389 3.945 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@H]2CCCc3ccccc32)C1 248944652 ZBYMJGKIXVIGAX-DJIMGWMZSA-N 268.404 3.778 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 251502984 FQOLCNZSGRKJTC-SOUVJXGZSA-N 276.424 3.744 30 20 CHED CC(C)(C#N)CCC[S@@](=O)C/C=C\c1ccccc1 255096132 UUGAMQIPSXLWSO-SMTIMMHKSA-N 275.417 3.778 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1c(C)noc1C 264007155 AFPFKTHYCLAIGT-UHFFFAOYSA-N 285.347 3.512 30 20 CHED C=CCOCCCc1nc(-c2ccc(Cl)cc2)no1 266658476 ZWKCNTRGDQINCY-UHFFFAOYSA-N 278.739 3.525 30 20 CHED CCCCCCCC(=O)N(C)Cc1cc(C(=O)O)c(C)o1 268940355 RQDUNDHEYBNQOQ-UHFFFAOYSA-N 295.379 3.605 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2ccc(CC#N)cc2)c1 270294192 BJOIUNHFRZHPOX-UHFFFAOYSA-N 292.382 3.726 30 20 CHED C#CC[C@@H](NC(=O)N(C)[C@@H](C)CCC)c1ccccc1 270361620 RNBLSFSRICBTPU-GOEBONIOSA-N 272.392 3.581 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccccc1OC(F)F 271370048 KUESJWOIKMYWPI-LBPRGKRZSA-N 295.329 3.659 30 20 CHED CCCCCCCCC(=O)Nc1cn(C)nc1CC 271553653 ZBVUHRPGNZJLKD-UHFFFAOYSA-N 265.401 3.672 30 20 CHED CC(C)(C#N)CCN[C@H](Cc1ccccc1)C1CC1 273228113 CYVWXMNKSRPWNN-MRXNPFEDSA-N 256.393 3.537 30 20 CHED CSCc1cccc(-c2noc(C3(C#N)CCCC3)n2)c1 273856709 LYEWWBUUHSURCO-UHFFFAOYSA-N 299.399 3.935 30 20 CHED C=C(C)CCSc1nncn1[C@@H](C)c1ccccc1 274762986 RHHOVEXUKWQOGC-ZDUSSCGKSA-N 273.405 3.946 30 20 CHED CC1CCN(c2ccc(NC(=O)CC(C)(C)C#N)cc2)CC1 278544436 NJHMXEAMECUEIX-UHFFFAOYSA-N 299.418 3.801 30 20 CHED C[C@H]1CCCN(C(=O)CC(C)(C)C#N)c2ccccc21 278672424 CRPRPKLBDYKHPS-ZDUSSCGKSA-N 270.376 3.857 30 20 CHED CC1(NC(=O)c2ccc(C(C)(C)C#N)cc2)CCCC1 280305786 BQAOPOGYPOILKY-UHFFFAOYSA-N 270.376 3.550 30 20 CHED CCc1cccc(CC)c1NC(=O)c1cc(C#N)oc1C 280487924 ASNOIILUMVLZTB-UHFFFAOYSA-N 282.343 3.837 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnc(Cl)cc1C 282025847 SQRICUUUUZTAGY-JTQLQIEISA-N 267.760 3.520 30 20 CHED C[C@H](N[C@@H](C)c1c(F)cncc1F)c1ccc(C#N)cc1 285562407 HDAHJAYZJKARBM-QWRGUYRKSA-N 287.313 3.643 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(NC(C)(C)C)cn2)no1 289514505 BWAKCTYGEIVGPP-MRXNPFEDSA-N 299.378 3.533 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C1CC1)C(F)(F)F)c1ccccc1 290189829 SZPLCYLPQNJHEM-KGLIPLIRSA-N 297.320 3.803 30 20 CHED N#CCCCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 291060023 AVEKBPMXHFHFFD-UHFFFAOYSA-N 290.672 3.991 30 20 CHED Cc1ccc2snc(C(=O)N(CC#N)C3CCCC3)c2c1 293240496 TVYSXSKFEBUWRF-UHFFFAOYSA-N 299.399 3.513 30 20 CHED N#CCCCC(=O)NC1(Cc2ccc(Cl)cc2)CCC1 293719771 JVFTYUBIWXBCGF-UHFFFAOYSA-N 290.794 3.615 30 20 CHED C=CC(C)(C)C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 295335112 XMKMCLNDHJNFLU-ZBFHGGJFSA-N 271.404 3.912 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 296549124 GVRQRDDRSIUWLK-UHFFFAOYSA-N 298.308 3.669 30 20 CHED Cc1cc(F)cc2c(NCC(C)C)c(C#N)cnc12 301359754 PUOYXGNHOMKWAA-UHFFFAOYSA-N 257.312 3.622 30 20 CHED CCc1cccc(N/C(N)=N/CCCSCC(C)C)c1 305317494 UOATZOWSEBZTKN-UHFFFAOYSA-N 293.480 3.755 30 20 CHED CCc1cc(N[C@H](C)c2ccc(C#N)cc2)ccn1 307767329 HSINLSMKJAGHDM-GFCCVEGCSA-N 251.333 3.689 30 20 CHED CC[C@H](C)[C@@H](C)Nc1nc(C)c(C#N)cc1Cl 310183989 XYKIGTVEDZSRGA-DTWKUNHWSA-N 251.761 3.762 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCC(C)(C)CC#N 315617105 OSTHNTKCVUPCHI-CYBMUJFWSA-N 252.402 3.505 30 20 CHED O/C(C/N=C(/O)C1CCCCC1)=N/C[C@@H]1CCCCS1 329558956 LSMYSEWUEWDXKV-ZDUSSCGKSA-N 298.452 3.765 30 20 CHED CC[C@@H](/N=C(/O)c1cncc2ccccc12)C1CCOCC1 329941578 GTQSSCLHNODSBM-QGZVFWFLSA-N 298.386 3.745 30 20 CHED C[C@H]1C(=O)CC[C@@H]1CC(O)=Nc1cnc2c(c1)CCCC2 330030275 RIHDVKYSTZYROY-VXGBXAGGSA-N 286.375 3.554 30 20 CHED CC(C)c1occc1/C(O)=N/C1CCC(C(=N)O)CC1 331093749 ZOWNWKGGZWVCLC-UHFFFAOYSA-N 278.352 3.802 30 20 CHED CC1(C)C[C@H](N[C@H]2CCC[C@@H](C#N)C2)c2cc(N)ccc2O1 332205684 HCWBROHVPAEZGA-INWMFGNUSA-N 299.418 3.543 30 20 CHED N#CC1(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CCCCC1 332776605 GZOQMOXEVFBFQK-BZUAXINKSA-N 288.435 3.936 30 20 CHED N#Cc1nnc2ccccc2c1NC1CCC2(CC1)CC2 333434810 KRQLDZYERQEEHB-UHFFFAOYSA-N 278.359 3.636 30 20 CHED N#Cc1cscc1C(=O)N1CC2(CCC2)[C@@H]1c1ccco1 334815660 DIBCPILTIDAHKU-AWEZNQCLSA-N 298.367 3.580 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC)c(OCC)c1 341495042 OJVRTYFGCNZAHV-CQSZACIVSA-N 263.381 3.538 30 20 CHED N#Cc1cccc(Sc2ncnc3ccsc23)c1 342541391 DIGVRXLZQOXHKS-UHFFFAOYSA-N 269.354 3.714 30 20 CHED Cc1c(Cl)cnc(NC2CCC(F)(F)CC2)c1C#N 343510901 MCFYCCHVHSPUNW-UHFFFAOYSA-N 285.725 3.905 30 20 CHED N#Cc1cnccc1/C=C/C=C\c1ccc(F)cc1 349107495 JZOWNPDQSLZMEL-HSFFGMMNSA-N 250.276 3.819 30 20 CHED C=C(C)CSCC(=O)Nc1ccccc1Cl 357062769 XLAOFXJRQMCJCZ-UHFFFAOYSA-N 255.770 3.588 30 20 CHED CC(C)c1ccsc1C(=O)N[C@@H](C#N)C(C)(C)C 362342927 PBQADWDUIBJADT-NSHDSACASA-N 264.394 3.540 30 20 CHED CC[C@@H](C)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 365085176 NOHYXLPEEUDKHL-CQSZACIVSA-N 282.387 3.610 30 20 CHED N#CCC[C@H](NC(=O)NC12CCC(CC1)C2)c1ccccc1 368169648 XTTRSNBOJPBKNX-HQVVEAJESA-N 297.402 3.663 30 20 CHED N#CC1(CCCN2CCC[C@H]2C2CCCC2)CCOCC1 374146705 GEQULLUXRRWMIU-KRWDZBQOSA-N 290.451 3.742 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCC2(CCCCC2)C1 377000596 FNCCJMDJSJHBLP-UHFFFAOYSA-N 291.439 3.682 30 20 CHED C#C[C@](C)(CC)NC(=O)c1ccc(Cl)cc1Cl 384197994 KFVIHCJOQSFGTB-CYBMUJFWSA-N 270.159 3.525 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Oc1cccc(Cl)c1 410116867 KXOSZQCGIYANAN-WCQYABFASA-N 281.783 3.578 30 20 CHED CCC[C@H](C#N)N(C)C(=O)Cc1coc2cc(C)c(C)cc12 410826158 HMIOJWRZRHRMBV-OAHLLOKOSA-N 298.386 3.743 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)Cc1cccc(C(C)C)c1 410833334 GLKNCDSPJSDFSR-INIZCTEOSA-N 272.392 3.503 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)C1CCOCC1 414303305 NJGJXUSBADTVKU-CRAIPNDOSA-N 273.420 3.579 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1ccc(C2CC2)cc1 419333700 FYVBHRZYTHGSRL-KBPBESRZSA-N 267.376 3.658 30 20 CHED CCC[C@@H](NC(=O)NCc1ccc(C#N)s1)C(C)(C)C 420842086 LCZAQJXSYWSXMX-CYBMUJFWSA-N 293.436 3.634 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1F 421386148 RKULBCKYIIOWLY-JCNLHEQBSA-N 298.336 3.872 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(F)c(C)c1 424802115 BFDRCXPNTVNSRX-UHFFFAOYSA-N 263.356 3.695 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1cccc(C)c1C 424822595 BULVBEADCBZTCD-UHFFFAOYSA-N 259.393 3.864 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](CC(C)(C)C)C1 424869696 WTNBYSGDOCUZIB-ZDUSSCGKSA-N 251.414 3.873 30 20 CHED CN(CCCOc1cccc(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 429714040 FYJJWODGWQSZEZ-UKRRQHHQSA-N 292.810 3.733 30 20 CHED N#Cc1ncccc1NC[C@H](c1ccccc1)C1CC1 431491434 VEAUHZFDAUOPMR-OAHLLOKOSA-N 263.344 3.559 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]1C#N 434012040 MVHVPOPGHYZCFN-CYBMUJFWSA-N 294.757 3.633 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1c(C)cc(C)cc1C 435726953 STAGMBFDNYWSGS-FUHWJXTLSA-N 273.420 3.683 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc2ccccc12 435746357 WNRLTARJOWPDJB-HKUYNNGSSA-N 281.399 3.911 30 20 CHED C=CC[C@@H]1N(C(=O)C(=O)c2ccc(C)cc2)CCCC1(C)C 436102826 NRVKPXKGISYMAG-INIZCTEOSA-N 299.414 3.771 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C)ccc1OC 436303269 BFKQJGQHCYBFKI-MPGHIAIKSA-N 289.419 3.635 30 20 CHED C=C(C)CN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 444698616 CRJUQAHLSHIAJA-DOMZBBRYSA-N 265.784 3.678 30 20 CHED CC1(C)CCCN(Cc2ncc(Cl)cc2Cl)[C@@H]1C#N 444721282 RJWCTAJMMGLLOI-CYBMUJFWSA-N 298.217 3.903 30 20 CHED C=CC(C)(C)C(=O)Nc1nnc(C(CC)CC)s1 448759570 JFFFCQNUDILXJP-UHFFFAOYSA-N 267.398 3.592 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)Cc1cccs1 449170892 HMYIIRDLWBIUJJ-VQCLRJIVSA-N 276.449 3.989 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1c1cccc(C#N)n1 450605401 ZHJPFMWWKAXYSO-KEYYUXOJSA-N 277.371 3.724 30 20 CHED C=CC(C)(C)C(=O)N1CCc2c(cccc2C(C)C)C1 451124592 FSEFRDAAEFPWRE-UHFFFAOYSA-N 271.404 3.907 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(C)n(C)nc3c2)CCCC1 452218892 DMWIBHUSNJJCDW-UHFFFAOYSA-N 297.402 3.957 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc(-c2ccncc2)cc1 453350896 JYCZTTFYYYCZSK-BEFAXECRSA-N 296.414 3.726 30 20 CHED C=CC[C@@H](C)NCc1sc(C)cc1Br 453587009 KHDFAFZDZNJLOK-MRVPVSSYSA-N 274.227 3.873 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 454598760 OXFFPOVJSPLYRV-UHFFFAOYSA-N 290.363 3.528 30 20 CHED CCN(Cc1cccs1)C(=O)Nc1cccc(CC#N)c1 455925803 YCCOKHYUEQQCQJ-UHFFFAOYSA-N 299.399 3.868 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(CCC#N)CCC(C)C)c1 456000047 KZNRXLMTFKUSMU-UHFFFAOYSA-N 298.390 3.660 30 20 CHED C=CCC1(NC(=O)Cc2n[nH]c3ccccc23)CCCCC1 456369463 QJHACPCJYFCHLE-UHFFFAOYSA-N 297.402 3.501 30 20 CHED N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCc2ccc(Cl)cc21 459476031 LAYLKGMGQAZPLJ-TUKIKUTGSA-N 260.768 3.609 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCCCC1 460952224 ODRGWTJAILEHLV-CQSZACIVSA-N 276.428 3.748 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1ccc(Cl)cc1C 461240919 CZAVIPCELBUQMX-JTQLQIEISA-N 269.797 3.895 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2C[C@@H]2Cc2ccccc2)n1 462887194 XQPAAPWQGFFNPI-RDJZCZTQSA-N 277.371 3.613 30 20 CHED COC(=O)c1cc(N[C@H]2CCC[C@H](C#N)C2)cc(C)c1C 463239717 AEKCOLBZVZZSAF-KBPBESRZSA-N 286.375 3.584 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1ccc(C)cc1C 466526354 JMOKSBSPNFSUOJ-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(F)cc1C(F)(F)F 466553730 DNEOBFMWXZOIII-UHFFFAOYSA-N 290.260 3.884 30 20 CHED C=CCCCCNC(=O)Cc1c[nH]c2cc(Cl)ccc12 471700074 GYMNZMXZPNYKFF-UHFFFAOYSA-N 290.794 3.836 30 20 CHED C=CCCCCNC/C=C\c1ccccc1[N+](=O)[O-] 472046744 BECXSSLXKVLEIU-NTMALXAHSA-N 260.337 3.554 30 20 CHED C=CCCCCN[C@H](c1cccc(F)c1)c1nccn1C 473079140 FARKWEOPKNQZPR-MRXNPFEDSA-N 287.382 3.595 30 20 CHED C=CCOCCCOc1ccc(/C=C\C)cc1OC 478813798 JQXFRBZXZHTLMY-DAXSKMNVSA-N 262.349 3.700 30 20 CHED CC#CCCNC(=O)N(CCCCC)[C@H](C)CCC 483422930 SEWIXIPAROJEHX-OAHLLOKOSA-N 266.429 3.790 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1C[C@]12CCCc1ccccc12 490060379 PUWSZRMMVBBEOR-XLIONFOSSA-N 297.442 3.999 30 20 CHED C=C(C)CNC(=O)c1csc(-c2ccc(Cl)s2)n1 490077502 RCLXJSJSFXPNSN-UHFFFAOYSA-N 298.820 3.831 30 20 CHED C=C(C)CNC(=O)COc1ccc(Oc2ccccc2)cc1 490080315 OATXMBYSXIUZNZ-UHFFFAOYSA-N 297.354 3.550 30 20 CHED C=C(C)CN(CC)C(=O)c1c[nH]cc1-c1ccccc1F 494254426 RCVZKOIXJIAUPM-UHFFFAOYSA-N 286.350 3.859 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCc1ccc(Cl)s1 494672908 IRMKTTUUNKCYSV-LLVKDONJSA-N 298.839 3.694 30 20 CHED C=CCCC(=O)N[C@]1(c2cccc(C)c2)C[C@@H]1CC 501593795 MSSRTWZPYLUZMS-WMLDXEAASA-N 257.377 3.703 30 20 CHED COc1ccccc1CCCOc1ccc(C#N)cc1F 503318477 QHJRDEKVRXXONF-UHFFFAOYSA-N 285.318 3.718 30 20 CHED C=C(C)CCSc1nnc(C)n1-c1ccccc1 505480403 LYGJNRKHCAWGRH-UHFFFAOYSA-N 259.378 3.634 30 20 CHED C=C(C)CCSc1ccc(OCCOC)cc1 506369549 NDAYDTBPFOMDKJ-UHFFFAOYSA-N 252.379 3.770 30 20 CHED N#Cc1ncc(OCc2ccc(C3CCCCC3)cc2)cn1 506437233 BLNXZDDVANXYPP-UHFFFAOYSA-N 293.370 3.975 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(C)CC1 514758250 JKWCVIFBGNSMJD-UHFFFAOYSA-N 261.413 3.642 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CCC(C)(C)C)cc1 519724808 LBLAARXRWRLOAS-OAHLLOKOSA-N 272.392 3.756 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 521665991 NYONDFMMLKQIAN-JCGIZDLHSA-N 294.398 3.509 30 20 CHED CC(C)[C@@H](C)N(C)c1ccc2cc(C#N)ccc2n1 527201959 GBFSZIGWHLMNRG-GFCCVEGCSA-N 253.349 3.587 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1cccc(OC)c1 537187715 VAZZPLMBANUXBH-UONOGXRCSA-N 290.407 3.800 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@@H](CC(C)C)C1)C1CC1 538580745 FXKPFNKJZUEENR-IKGGRYGDSA-N 265.441 3.915 30 20 CHED CC(C)(C)Cc1csc(NC(=O)c2cccc(C#N)c2)n1 539579594 YWYNADICRIEFFR-UHFFFAOYSA-N 299.399 3.856 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1c1ccc(C#N)nc1 543994689 CNRNBIXKDNVCNK-GOEBONIOSA-N 277.371 3.726 30 20 CHED C=C(C)[C@@H](NC(=O)CSC(C)C)c1ccc(F)c(F)c1 547500656 JVFOQMNTNRZWES-OAHLLOKOSA-N 299.386 3.840 30 20 CHED CCN(C(=O)[C@@H]1CC=CC[C@H]1C)c1ccc(C#N)cc1 551588603 ZSOOFPLRMFWVOY-CZUORRHYSA-N 268.360 3.513 30 20 CHED CCC(CC)[C@H](C)C(=O)NC1(c2cccc(C#N)c2)CC1 556498297 GQYCYJQBXCZPLR-ZDUSSCGKSA-N 284.403 3.736 30 20 CHED C=CCOCCN1CCC(c2ccc(Cl)cc2)CC1 559155713 PZKRQUURNASXOL-UHFFFAOYSA-N 279.811 3.722 30 20 CHED CCCn1ncc(NCc2cc(C#N)cs2)c1C1CC1 562522838 XIBJEAKBFQVZAH-UHFFFAOYSA-N 286.404 3.716 30 20 CHED N#Cc1ccc(CN(C2CC2)[C@@H]2CCc3ccccc32)nc1 563349999 KHJUOKVMERYTLW-LJQANCHMSA-N 289.382 3.605 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1CC=CC[C@H]1C 565782281 JBCJLLWXTFKKOL-UKRRQHHQSA-N 275.417 3.865 30 20 CHED C=CCCCCCNc1cc(C(=O)NC)ccc1Cl 567451033 HEGQSTVDQARMKD-UHFFFAOYSA-N 280.799 3.858 30 20 CHED C=CCCc1ccccc1NCc1nc(C)c(C)[nH]1 568269697 UKSGMFUVDAKMAK-UHFFFAOYSA-N 255.365 3.757 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(C)c2cccc(C#N)c2)C[C@H]1C 573291446 SXMPEUZZZYQRGN-NFAWXSAZSA-N 270.376 3.593 30 20 CHED CC[C@H](C)C[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 574441638 AOFCBOKKVRZJDV-AHIWAGSCSA-N 256.393 3.960 30 20 CHED N#CCCN(C(=O)C[C@@H]1C=CCCC1)c1ccc(F)cc1 575932951 AIUACJBABKFJGT-CQSZACIVSA-N 286.350 3.819 30 20 CHED C/C(=C/c1ccccc1C(F)(F)F)CNC[C@H](C)C#N 580097908 LIOWXXALRRDVCV-SEVUFMINSA-N 282.309 3.858 30 20 CHED N#CC1(c2nc(-c3ccc4c(c3)CCC4)no2)CCCCC1 581854670 MTYUIJWAXNYVJH-UHFFFAOYSA-N 293.370 3.951 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(C)c1ccccc1 583900005 NPWSQAJJBJHVBH-ZDUSSCGKSA-N 270.380 3.746 30 20 CHED Cc1c(C)c(C)c(CNC[C@@H](C#N)CCC#N)c(C)c1C 584448085 ULUKMZMTQDTQFH-QGZVFWFLSA-N 283.419 3.762 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1cc(C#N)cc(C)n1 588033012 CSURLULSJYYVGN-NTEUORMPSA-N 277.371 3.801 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCCCC#N 588849665 ZOTAWFPCKSDNMT-UHFFFAOYSA-N 289.335 3.624 30 20 CHED C=CCN(CCC)[C@H]1CCCN(Cc2ccccc2)C1 590448011 YTIPLNXKHNDZOO-SFHVURJKSA-N 272.436 3.549 30 20 CHED COc1cccc2c1CN([C@@H](C)c1cccc(C#N)c1)CC2 590760132 WVAZCADQCFZEFU-AWEZNQCLSA-N 292.382 3.686 30 20 CHED C=CCCC(=O)N1CCCC[C@H]1c1ccccc1OC 591978814 JIFGBBJOLAJDCJ-HNNXBMFYSA-N 273.376 3.715 30 20 CHED N#CC[C@@H]1CCCN(CCCc2ccccc2Cl)C1 595621671 XLYFPSFYWFYEOY-AWEZNQCLSA-N 276.811 3.898 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@H]([C@H]2CCCCO2)C1 595788429 NUJLEDMOMWDMHC-AYOQOUSVSA-N 298.430 3.900 30 20 CHED Cc1cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1C#N 595789283 QIWTUFUKPDCLBG-RTBURBONSA-N 298.430 3.648 30 20 CHED CCO[C@@H](CC)c1noc(/C=C\c2ccc(C#N)cc2)n1 596616126 UUNIRPUNCHZHAI-CMUBDUJZSA-N 283.331 3.599 30 20 CHED CNc1cccc(-c2cccc(C3(C#N)CCOCC3)c2)c1 596639813 ABNXPXQJEUNTRJ-UHFFFAOYSA-N 292.382 3.967 30 20 CHED N#Cc1cccc(C2(NC(=O)C3CCC4(CC3)CC4)CC2)c1 597423096 FDLJFQGBPCYRDF-UHFFFAOYSA-N 294.398 3.634 30 20 CHED C=CCCC[C@@H](C)NC(=O)CC1(C#N)CCCCC1 597482351 YZTMPYDFZNPOBQ-CQSZACIVSA-N 262.397 3.712 30 20 CHED CCN(C(=O)c1cc(C(C)C)nc2ccccc12)[C@@H](C)C#N 598883470 VVAXBNFTBKJZJA-ZDUSSCGKSA-N 295.386 3.732 30 20 CHED N#Cc1ccc(N(C(=O)C2CCCC2)C2CCC2)cc1 598886214 LZNPUHLMIONYGA-UHFFFAOYSA-N 268.360 3.634 30 20 CHED Cc1ccc([C@H](C)CN2CCC[C@@H](CC#N)C2)cc1 600176787 GQYRCCXUYBGLNX-CVEARBPZSA-N 256.393 3.724 30 20 CHED C[C@@H](CN(C)C(=O)c1ccccc1CC#N)c1ccccc1 601032795 KPHLBNXZMCLWTL-HNNXBMFYSA-N 292.382 3.628 30 20 CHED N#CC1(C(=O)Nc2nc(C3CCCCC3)cs2)CCC1 601700769 GHRKTPYOUNIZKZ-UHFFFAOYSA-N 289.404 3.823 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2ncccc2c1 602587127 FKCLNGSEVHNBBM-AWEZNQCLSA-N 295.386 3.746 30 20 CHED Cc1nc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)ccc1C#N 603566925 HMRSBAIONSUYFY-HUUCEWRRSA-N 299.418 3.596 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OCC)c(OCC)c1 604904110 OZATULUZGFZCEH-LBPRGKRZSA-N 292.379 3.570 30 20 CHED C=CCCCN(C)[C@H](c1cccc(F)c1)c1cnn(C)c1 606432532 IRUVHSDYZOUMRX-QGZVFWFLSA-N 287.382 3.547 30 20 CHED CCC(CC)N(Cc1cn2ccccc2c1C#N)C1CC1 609144390 UPVOFPKPZRBCDI-UHFFFAOYSA-N 281.403 3.964 30 20 CHED N#CCn1c(C(=O)NC2CCCCCC2)cc2ccccc21 609159464 LOXMYNYQTGTXHI-UHFFFAOYSA-N 295.386 3.617 30 20 CHED CC(C)CC(CC(C)C)NC(=O)N1CCC[C@@](C)(C#N)C1 612120915 YCNHSSORFCNCKQ-KRWDZBQOSA-N 293.455 3.782 30 20 CHED C[C@H](CC(=O)N1CCC[C@@](C)(C#N)C1)C1CCCCC1 612243029 OFEDZQCYNKVHBD-PBHICJAKSA-N 276.424 3.745 30 20 CHED C[C@H](CC(=O)N1CCC[C@](C)(C#N)C1)C1CCCCC1 612243030 OFEDZQCYNKVHBD-RHSMWYFYSA-N 276.424 3.745 30 20 CHED Cc1ccc2cc(CN3CCC[C@@](C)(C#N)C3)ccc2n1 615136966 NMNZIZAMLFAHIP-SFHVURJKSA-N 279.387 3.669 30 20 CHED C=CCCNC(=O)[C@H](CC)Oc1ccccc1C(C)C 617615398 KLNHRXDISIJQIA-HNNXBMFYSA-N 275.392 3.660 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1csc(C2CC2)n1 618741471 GODUPPHPBCCVGZ-INIZCTEOSA-N 295.411 3.669 30 20 CHED Cc1ccc(CCCN[C@H](C)c2cccc(C#N)c2)cn1 619427366 QRRNNVKLKFDTPI-OAHLLOKOSA-N 279.387 3.545 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1cccc(F)c1F 620861284 KIOXYSXFIYISND-UHFFFAOYSA-N 281.346 3.758 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 642003745 JIFFOUBTQIEBLG-JJRVBVJISA-N 287.403 3.806 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)CCC 643221131 AKTCAWHXXCWECF-AWEZNQCLSA-N 260.381 3.573 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 664332724 GHIQNIGGASIVDV-CQSZACIVSA-N 286.375 3.709 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cn2)C1 664333048 JFCRMQCWRCHZEN-LLVKDONJSA-N 279.771 3.555 30 20 CHED C=CC[C@@H]1CCCN(Cc2cnc([C@@H]3CCCO3)s2)C1 668493998 TXXPYBXYNYHYHY-HIFRSBDPSA-N 292.448 3.783 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@@H]2C[C@@H]21)c1ccccc1 672131528 MNGOSKKOUPYRKT-IKGGRYGDSA-N 269.388 3.747 30 20 CHED C=CCC[C@@H](NCc1c(C)cc(C)nc1OC)C1CC1 676639093 FRDOTPWISWLFAI-MRXNPFEDSA-N 274.408 3.541 30 20 CHED CCC#C[C@@H](C)Sc1nnc(Cc2ccccc2F)o1 677132867 WHDTVFXEGBVMFO-LLVKDONJSA-N 290.363 3.694 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1CCN(Cc2ccccc2)CC1 695861521 BKDXDCSVKJIABL-INIZCTEOSA-N 299.462 3.569 30 20 CHED C#Cc1cccc(NC(=S)N(CC)Cc2ccccc2)c1 726435830 GEGCPOJVVOOOMH-UHFFFAOYSA-N 294.423 3.887 30 20 CHED C[C@@H]1C[C@@H](CC(=O)OCCCC#N)CC(C)(C)C1 727557351 JBWKHNWZPOEWFF-OLZOCXBDSA-N 251.370 3.686 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 728714847 AZCFZRVGMCSLGP-HJWJTTGWSA-N 284.403 3.503 30 20 CHED CC/C=C(/C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730421726 NZJULFHPVFZHQW-NJHLSQGMSA-N 288.347 3.968 30 20 CHED CC[C@@H](OC(=O)c1cccc(C#N)c1)c1ccc(OC)cc1 731555341 JWRPEDXCTYJATI-QGZVFWFLSA-N 295.338 3.875 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1nccnc1Cl 733079135 WNLDYNNOYSNXFL-UHFFFAOYSA-N 292.745 3.690 30 20 CHED C#Cc1cccc(N(C(=O)[C@H](C)CCC)C(C)C)c1 733103695 IXSXCAMXWZVHGF-CQSZACIVSA-N 257.377 3.846 30 20 CHED C#CCOc1ccc(NC(=O)/C=C\C2CCCCC2)cc1 735440666 LUWBELPMYXJOTH-JYRVWZFOSA-N 283.371 3.774 30 20 CHED Clc1cccc(OCCCON=C2CCC2)c1 735490286 UKQQSFOUGQXDJI-UHFFFAOYSA-N 253.729 3.665 30 20 CHED C=C(Cl)CNC(=O)CCc1ccc(C(C)(C)C)cc1 736239982 DEHWJHYVIJBRHT-UHFFFAOYSA-N 279.811 3.785 30 20 CHED C[C@@H]1CCC[C@@H](C)N(CCCOc2ccc(C#N)cc2)C1 741793378 JOMXLBNNKWBDAE-HZPDHXFCSA-N 286.419 3.838 30 20 CHED C=CCOc1ccc(OC(=O)CCc2cccs2)cc1 742861669 BXPOHGAIXQTIKC-UHFFFAOYSA-N 288.368 3.851 30 20 CHED CCCCCCCC(=O)N1CCOC[C@@H]1c1ccccc1 742954415 AVNVRZOKLFNACA-QGZVFWFLSA-N 289.419 3.947 30 20 CHED C#C[C@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 744178436 AXORVWSSHBLUHY-LBPRGKRZSA-N 281.355 3.615 30 20 CHED Cc1c(C(=O)OCC2(CC#N)CC2)oc2ccc(F)cc12 744278065 LLCZXMIQBUXLAM-UHFFFAOYSA-N 287.290 3.731 30 20 CHED C[C@@H]1CCC[C@H](C(=O)OCc2ccc(F)cc2C#N)C1 745158623 NXGFPRVKOFXAGL-NEPJUHHUSA-N 275.323 3.567 30 20 CHED CC(=NN=C1CCC[C@H]1CCC(C)C)c1cnccn1 745202000 QGUFVODSCULCMF-AWEZNQCLSA-N 272.396 3.878 30 20 CHED CO[C@]1(C)C[C@@H](/N=C\c2cc(Cl)ccc2O)C1(C)C 745976827 NFFVEFWLDOWVAX-FKPVXGFXSA-N 281.783 3.668 30 20 CHED CC(C)CCCCCC(=O)NCc1cccc(C#N)c1 747872883 BFEQALSVDNHKLF-UHFFFAOYSA-N 272.392 3.781 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3cccc(C)n23)cc1 748999761 LICGHUIHQQGQAR-ZHACJKMWSA-N 276.339 3.847 30 20 CHED O=C(/C=C\c1ccco1)OCC#Cc1ccc(Cl)cc1 749195953 DXEMCLCBEUMDFF-KTKRTIGZSA-N 286.714 3.541 30 20 CHED CCCCCCCNCc1cn2cc(C)ccc2n1 755739641 VIYDQYXATLWLLW-UHFFFAOYSA-N 259.397 3.703 30 20 CHED Cc1cc(C)c2c(c1)C(=NO[C@@H]1CCCCO1)CCCO2 755821101 AYQVUKYWYOTDQY-MRXNPFEDSA-N 289.375 3.723 30 20 CHED Cc1ccc(O)c([C@@H](C)NCc2cc(C#N)ccc2F)c1 756731596 HHTMHRKXBFWXMU-GFCCVEGCSA-N 284.334 3.562 30 20 CHED C#CC[C@H](NC(=O)N(CC)C[C@@H](C)CC)c1ccccc1 757760993 LTKKBFYYBHMCGO-RDJZCZTQSA-N 286.419 3.829 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(F)cc1N(C)C 759200740 APCTYORSYLDWHS-UHFFFAOYSA-N 289.329 3.867 30 20 CHED N#Cc1ccccc1COC(=O)/C=C\SCc1ccco1 759836272 HVGKBROSPMZOEH-CLFYSBASSA-N 299.351 3.642 30 20 CHED C#CCCCCCc1nc(Cc2ccc(F)cc2F)no1 761633773 SDBYYISSOCFDBM-UHFFFAOYSA-N 290.313 3.675 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc(Cl)s1 761896283 MTDXCSCPROLWJJ-UHFFFAOYSA-N 284.743 3.995 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](C2CC2)C1 764068497 JMKJMNGYRQCBNR-OAHLLOKOSA-N 251.414 3.996 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(OC)c(C3CC3)c2)c1 766387342 JSTQWNBWNQLPRX-UHFFFAOYSA-N 291.350 3.806 30 20 CHED CCCCCCCCNC(=O)c1cnn(CC(C)C)c1C 766487622 NQIPNOYIZRFAOQ-UHFFFAOYSA-N 293.455 3.938 30 20 CHED C=CCCC(=O)COC(=O)C(C)(C)C1CCCCC1 767042299 MCGWOMKIERQBHM-UHFFFAOYSA-N 266.381 3.671 30 20 CHED C[C@H]1CCC[C@H](C=NNCc2ccc(F)c(F)c2)C1 768361785 WPCACSIFNHNYKI-RYUDHWBXSA-N 266.335 3.867 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccc(C(F)(F)F)nn2)C1 768365753 ADMFUAVGPREBRS-NXEZZACHSA-N 286.301 3.719 30 20 CHED CC(C)(C#N)CCCCOC(=O)/C=C/c1ccco1 768372074 DMSWZTOZXZLWTF-BQYQJAHWSA-N 261.321 3.556 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)OCc1ccc(F)c(C#N)c1 769175151 FAZALFNHHNKYON-WCQYABFASA-N 275.323 3.567 30 20 CHED N#CCc1ccc(C(=O)Oc2c(F)cccc2Cl)cc1 769297681 QYNYWACUBUBARR-UHFFFAOYSA-N 289.693 3.764 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](F)c2ccccc2)s1 769449849 FTJLTQHJQQIKOE-ZDUSSCGKSA-N 288.347 3.831 30 20 CHED C=C(CC)COC(=O)CSc1nccc2ccccc12 773534004 GSHLQFDYXBKJRE-UHFFFAOYSA-N 287.384 3.836 30 20 CHED C#C[C@@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 773593139 NQEQSPBFIWBITD-IAQYHMDHSA-N 290.794 3.502 30 20 CHED Brc1ccc(C=NOC2CCCC2)s1 774597709 VZRDTQOIQGSNIL-UHFFFAOYSA-N 274.183 3.804 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCC(C)(C)O)cc1 775585747 JBQIHNAXAROYAS-CYBMUJFWSA-N 297.826 3.630 30 20 CHED N#CCc1ccccc1CC(=O)OCc1ccccc1Cl 776730495 NDRRZOPIZNCVDE-UHFFFAOYSA-N 299.757 3.692 30 20 CHED COC[C@H](C)NN=Cc1ccc(-c2cccs2)cc1F 777891906 VABVUVWSSHDIJP-NSHDSACASA-N 292.379 3.513 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)c1ccccc1 779832356 PDJPMDCXEOZASV-UHFFFAOYSA-N 271.404 3.664 30 20 CHED CC(C)(C)CC(=O)OCc1ccc(Cl)cc1C#N 780034201 GVHIUFNGCQHQKB-UHFFFAOYSA-N 265.740 3.691 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/C[C@H]1CCC=CO1 780149905 POFVEEZIVLHESH-PFJSLNBISA-N 286.158 3.811 30 20 CHED CC(Cc1ccccc1F)=NNc1cccc([N+](=O)[O-])c1 780188864 QKFIFRZVEXARCE-UHFFFAOYSA-N 287.294 3.764 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C\c1cccs1 782033805 GBYQFYOMJWCYRZ-SREVYHEPSA-N 263.362 3.634 30 20 CHED C[C@@]1(C#N)CCCN([C@@H]2CCc3cc(Cl)ccc32)C1 782192598 JBWPBTBPJZAKKH-CVEARBPZSA-N 274.795 3.953 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc(C(=O)O)cc1Cl 782286379 JGPIYWGGJYPQGU-CYBMUJFWSA-N 294.782 3.540 30 20 CHED C(=NOCCCc1ccsc1)c1cccs1 782945540 SXSHVIGNYDUTFG-UHFFFAOYSA-N 251.376 3.793 30 20 CHED Cc1cc(/C=C/C(=O)c2cncc(F)c2)cc2cccnc12 783710224 COJXXPDNLVUCCI-SNAWJCMRSA-N 292.313 3.973 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)/C=C/c1ccc[nH]1 783871464 OOBVEVIZMSGZRS-VAWYXSNFSA-N 296.370 3.564 30 20 CHED C=C[C@H]1CCCCN1c1ccnc2c(F)cccc12 784676196 MEMBVZPXTNEFEA-LBPRGKRZSA-N 256.324 3.919 30 20 CHED C=CCN(Cc1ccc(Cl)nc1C(F)(F)F)C1CC1 787274279 FLKRELRAJCCYNY-UHFFFAOYSA-N 290.716 3.904 30 20 CHED CCC1(C)CCC(=NNCCc2ccccn2)CC1 789106165 ZKIGGNVSGNAUTF-UHFFFAOYSA-N 259.397 3.560 30 20 CHED Cc1cccnc1NN=Cc1cccc(OCCCC#N)c1 790192733 CKZSBIQAVANRDX-UHFFFAOYSA-N 294.358 3.519 30 20 CHED C#CCCCNc1cnn(-c2ccccc2)c1CCC 790320281 GNZQHMKCFDCBEK-UHFFFAOYSA-N 267.376 3.650 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(Cl)s2)no1 791429936 AEEZOSUSHJALMC-DUXPYHPUSA-N 253.710 3.594 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(CC2CC2)C2CCC2)cc1 793394149 LCPLIDMRVXNHSS-AWEZNQCLSA-N 284.403 3.742 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCN(C)[C@@H](C)C1 793531134 CZXAMLKALYNPBA-JYJNAYRXSA-N 252.446 3.584 30 20 CHED CC(C)[C@@H]1CCCC(=NN[C@@H]2CCOC(C)(C)C2)C1 794535448 HVTWSJDGNVRCOO-UKRRQHHQSA-N 266.429 3.736 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc2n[nH]cc2c1 794855936 DJGAKCIPGIFISD-UHFFFAOYSA-N 286.285 3.677 30 20 CHED C=C(C)CNC(=S)Nc1ccc2cc(OC)ccc2c1 795117214 YLPXKQOOWAWYAH-UHFFFAOYSA-N 286.400 3.711 30 20 CHED C#CCCN(Cc1ccc(F)cc1Cl)CC1CC1 796113437 LGOMOAYPLZKUKX-UHFFFAOYSA-N 265.759 3.714 30 20 CHED C#CCCCOC(=O)c1sc2ccc(C#N)cc2c1C 796615852 UBXZQVRWTONHOE-UHFFFAOYSA-N 283.352 3.652 30 20 CHED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C1CCC1 796748393 RXQVAURMZKUYGP-CZUORRHYSA-N 271.360 3.806 30 20 CHED CCCCCCCS(=O)(=O)Oc1ccc(C(C)=O)cc1 799742409 RSPAFQOVEITDLH-UHFFFAOYSA-N 298.404 3.568 30 20 CHED COc1cccc(C=NNc2cc(C)ccc2C)c1F 799870535 PLFHJWAGKIFAGK-UHFFFAOYSA-N 272.323 3.897 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)c1ncc(C(C)(C)C)o1 802751579 LADYWYGPTSXOLP-WDEREUQCSA-N 282.409 3.695 30 20 CHED CC(C)C[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 804549530 GLEOMMFCLKLOBB-JTQLQIEISA-N 283.828 3.931 30 20 CHED CCCCCCCCC(=O)Nc1cccc2c1CNC2=O 805235161 IIGXKHWWGYBRLX-UHFFFAOYSA-N 288.391 3.619 30 20 CHED CC(C)Cc1ccc(COC(=O)c2cnccc2C#N)cc1 805716735 LOTOHSOEKXQYMS-UHFFFAOYSA-N 294.354 3.509 30 20 CHED CC(C)(C)CC1=NNC(=Nc2ccccc2)SC1 806549287 PGLCUMSXTMMAEY-UHFFFAOYSA-N 261.394 3.803 30 20 CHED CC(Cc1ccsc1)=NNc1ccc([N+](=O)[O-])cc1C 807988201 CXTXQVPXEYRZKI-UHFFFAOYSA-N 289.360 3.995 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Oc2cccc(F)c2F)c1 808360685 QLFYIHXIXBPLPJ-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C#Cc1ccc(CN[C@H](C)[C@@H](OC)c2ccc(F)cc2)cc1 809631948 KENSBSWBVMREQE-AUUYWEPGSA-N 297.373 3.673 30 20 CHED C#C[C@H](NCc1ccc(C)cc1-c1cnn(C)c1)C(C)(C)C 809782251 MIWVJNROMPXNJS-SFHVURJKSA-N 295.430 3.533 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](C)[C@H](C)c1ccccc1 810469508 STESHSATAAGVGO-HOTGVXAUSA-N 291.394 3.519 30 20 CHED Cc1ccc(CCC(=O)OCc2ccc(CC#N)cc2)s1 810655710 WNWUHIBBCCUFQR-UHFFFAOYSA-N 299.395 3.799 30 20 CHED C[C@@H](C(=O)OC1(CC#N)CCC1)c1cn(C)c2ccccc12 810854129 LRSOVKQGKSIBHX-CYBMUJFWSA-N 296.370 3.661 30 20 CHED C=CCCCCCCCNC(=O)c1cc(O)cs1 811590331 XMPAUWFDPCUSHW-UHFFFAOYSA-N 267.394 3.710 30 20 CHED CC(=NOC/C=C\Cl)c1cnc2ccsc2c1 811668394 FRULWBDVEUUIAA-QPEIUNTNSA-N 266.753 3.789 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(Cl)s1 811671669 JNUBUBHVAWTOCV-SSECQTAMSA-N 250.150 3.895 30 20 CHED C#C[C@H](NC(=O)N[C@H](CC)CC=C)c1ccc(Cl)cc1 811914441 JYVPGIPRKMNUPR-CABCVRRESA-N 290.794 3.668 30 20 CHED CCCCCCCCC/C=C/C(=O)N[C@@]1(C)CCOC1=O 813295166 UCNYVBWMCLHOGE-FLVLSHQESA-N 295.423 3.505 30 20 CHED C#CCOCSc1nccn1-c1ccc(C(C)C)cc1 814731573 DDUIAISJBCWBLV-UHFFFAOYSA-N 286.400 3.695 30 20 CHED CSC(C)(C)CC=NNc1ncnc2sccc12 814765394 FBFHOFSYXOMLLI-UHFFFAOYSA-N 280.422 3.621 30 20 CHED C(=NNc1ncnc2sccc12)c1cccc2cc[nH]c12 814765486 HZBPABHMVPYRHR-UHFFFAOYSA-N 293.355 3.619 30 20 CHED CCC(=NNc1ncnc2sccc12)c1ccco1 814767170 FCIZXMTYUSKSCP-UHFFFAOYSA-N 272.333 3.511 30 20 CHED Clc1cccc(CNN=Cc2ccc3oncc3c2)c1 814867952 QWISIBWIPBYYLF-UHFFFAOYSA-N 285.734 3.605 30 20 CHED CSCCCC=NNc1ncnc(Cl)c1C(C)C 814922528 LXLNMMXCWRPYBT-UHFFFAOYSA-N 286.832 3.794 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc(F)cc2F)no1 815702074 MDZWWUBFKGTDNY-UHFFFAOYSA-N 296.276 3.587 30 20 CHED CC/C(=C\C(=O)N(C)CC(C)(C)C#N)c1ccc(C)cc1 817605085 KOSKXOHWBJYRKC-RVDMUPIBSA-N 284.403 3.797 30 20 CHED Cc1nc(Cl)cc(N(C)[C@H](C)c2cccc(C#N)c2)n1 819949480 IQVGVHVPDFNLKR-SNVBAGLBSA-N 286.766 3.508 30 20 CHED C[C@]1(CCNCc2ccc(C#N)s2)CC1(Cl)Cl 824971015 NKWWLSGLBGMLGM-NSHDSACASA-N 289.231 3.683 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(C#N)ccc1F 828276141 GPIPCPSVDSHKEP-LRDDRELGSA-N 288.366 3.738 30 20 CHED C#Cc1cccc(CN[C@@H]2CCc3c2ccc(OC)c3F)c1 834901621 AGZZWUPXQWAYAP-QGZVFWFLSA-N 295.357 3.593 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1cnc2ccc(C)cc2c1 836106768 RSYRZYXZDMUVHI-CQSZACIVSA-N 299.370 3.568 30 20 CHED C#CCN(C(=O)Nc1ccc(C)c(C(F)(F)F)c1)C1CC1 836247572 AIZPJSABYGMTJN-UHFFFAOYSA-N 296.292 3.643 30 20 CHED CS/C=C\C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 836818853 LZLQIHDEQGGWKH-FPLPWBNLSA-N 290.388 3.551 30 20 CHED C=C(CC)CNC(=O)/C=C\c1cnc(C(C)(C)C)s1 837099661 WXSBNKDRHKKIOE-FPLPWBNLSA-N 278.421 3.536 30 20 CHED CC[C@@H](C#N)OC(=O)C1=C(c2ccccc2)CCCC1 838066403 IEEPNODARORWHG-AWEZNQCLSA-N 269.344 3.860 30 20 CHED C#CCC[C@H](C)OC(=O)c1nc(-c2cccs2)oc1C 839033375 CHMDHXJOVOFGSH-JTQLQIEISA-N 289.356 3.670 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@H]2CCCc3sccc32)C1 839054216 LBHVLAUWHCGLJP-BZPMIXESSA-N 289.400 3.794 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2OC2CCC2)C1 839055809 RQPMUVLSLSGKNI-UKRRQHHQSA-N 299.370 3.857 30 20 CHED Cc1cccc2c1C/C(=C/c1cnc(C(C)(C)C)nc1)C2=O 840717031 NHUDFGHHWPBSNA-ZSOIEALJSA-N 292.382 3.905 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H]1C 841626980 XHJZJYXBVHCHPB-RKDXNWHRSA-N 271.286 3.934 30 20 CHED C[C@@H](C#N)OCCS[C@H](C)c1ccc2c(c1)CCC2 842185032 XLWCUELWWVEBLZ-QWHCGFSZSA-N 275.417 3.898 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2CC(C)C)s1 843269083 NBMAFUDMGBNLDA-AATRIKPKSA-N 274.389 3.805 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)/C=C\C1CCCC1 843565122 NQZDHYXMDOFZTQ-YAINUAMHSA-N 296.414 3.764 30 20 CHED C=C[C@@H](C)ONC(=O)C[C@H](C)Cc1ccc(Cl)cc1 846549171 NELKHRRQEPVHIQ-VXGBXAGGSA-N 281.783 3.531 30 20 CHED O=C(CC[C@H]1CC1(Cl)Cl)OCC#Cc1ccccc1 849876174 OGONIRYDDXLJQY-ZDUSSCGKSA-N 297.181 3.555 30 20 CHED CC(C)(C#N)COC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 850935154 DDBPPSWQSLKWGD-HZPDHXFCSA-N 285.387 3.738 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)O[C@H](C)CC(C)(C)C#N 851210833 YLFUQYLNZBURNN-ZIAGYGMSSA-N 283.412 3.699 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@H](CC#N)C1 852344220 OSCLOMRBBPZYGG-MRXNPFEDSA-N 291.439 3.848 30 20 CHED CCCOc1cccc(CON=C2CCCOCC2)c1 853685475 JQZKDMDABGQIHV-UHFFFAOYSA-N 277.364 3.549 30 20 CHED CC(=NNc1ncc(Cl)cn1)c1cccc(C2CC2)c1 857220303 FLBPFGHPPHRYAS-UHFFFAOYSA-N 286.766 3.844 30 20 CHED C=CC[C@@H](OC(=O)c1cnn(C2CC2)c1)c1ccccc1 860676970 DIYCUTFANVJRQQ-MRXNPFEDSA-N 282.343 3.692 30 20 CHED C=CCc1ccc(OC(=O)CC2CCCC2)c(OC)c1 875122888 GQACBFZWAWKRHF-UHFFFAOYSA-N 274.360 3.909 30 20 CHED CCCCCCCNC(=O)N1CCCC[C@@H]1c1cc[nH]n1 875764354 HVYWNOHVGXEWIC-OAHLLOKOSA-N 292.427 3.617 30 20 CHED C[C@H](CCC#N)CNc1cnn(-c2ccccc2Cl)c1 877118175 PPYURWFLXUBTKI-GFCCVEGCSA-N 288.782 3.877 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C)n([C@@H](C)CC)n1 879388261 OHYYWJTVOUCUEE-NSHDSACASA-N 263.385 3.703 30 20 CHED C=CCN(C(=O)Nc1snc2ccccc12)C(C)C 879824827 AIEHLXBUXPMYKC-UHFFFAOYSA-N 275.377 3.725 30 20 CHED C=C1CCC(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)CC1 889433794 JVKGTSOWQVQFOL-LSDHHAIUSA-N 279.449 3.619 30 20 CHED COc1ccc2ccccc2c1CN1CCC[C@@H](C#N)C1 896504083 BFPWYIALTCACCY-AWEZNQCLSA-N 280.371 3.584 30 20 CHED N#C[C@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 896505172 ZBBNVOMKKANCGA-GFCCVEGCSA-N 275.421 3.536 30 20 CHED CC[C@@H](NCc1ccc(C)o1)c1cccc(C#N)c1 903077295 HULYMCQJMOWMIT-MRXNPFEDSA-N 254.333 3.701 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cc(F)ccc1F 915961246 CDXJCLOTFYQBMD-UHFFFAOYSA-N 271.270 3.673 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1c(F)cccc1F 916249573 ZPKDQJIRNYZTTR-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C=C1CCCC1 919862520 LZKHFQWVMBWERK-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)c1ccc(C(C)(C)C)cc1 921147617 BCWDAYGSTLPTEH-AWEZNQCLSA-N 289.419 3.928 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCc1ncc(C(C)(C)C)o1 924395534 QKQPSVZCDMZIGG-UHFFFAOYSA-N 298.342 3.509 30 20 CHED Cc1nc(-c2ccc(C)c(N[C@H](C)CC(C)(C)C#N)c2)n[nH]1 925941245 RTDMPQOAQDPCPX-GFCCVEGCSA-N 297.406 3.829 30 20 CHED N#CCCCN[C@@H](c1ccc(Cl)cc1)c1ccccn1 926134360 YEBUDFNWYZISDX-INIZCTEOSA-N 285.778 3.718 30 20 CHED Cc1ccc([C@H](NCC(C)(C)C#N)c2cccnc2)cc1 926873551 GOKXMAUIGUXFNQ-KRWDZBQOSA-N 279.387 3.619 30 20 CHED C#CCCCCCC(=O)Nc1cnn(C2CCCC2)c1 928793927 XCVVKNIKLAZPOO-UHFFFAOYSA-N 273.380 3.520 30 20 CHED CCc1cccc(CC)c1NC(=O)N1CCC[C@H](C#N)C1 929215497 OBRCOONTLKEBFI-CYBMUJFWSA-N 285.391 3.579 30 20 CHED N#Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]2C3)cc1Cl 929256712 HPSAHTVGMLMHLP-GWCFXTLKSA-N 289.766 3.618 30 20 CHED N#CC1(CCCCN2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)CCC1 930598645 QMOMQHBMFIPUFS-LUKYLMHMSA-N 270.420 3.604 30 20 CHED N#C[C@H]1CCCN(Cc2ccc3ccc(Cl)cc3n2)C1 932149832 LLIGMWROCSRQLC-GFCCVEGCSA-N 285.778 3.624 30 20 CHED CCC(CC)N(CC)C(=O)Nc1ccc(OCC#N)cc1 1117555243 YVNWEHJTOJATFX-UHFFFAOYSA-N 289.379 3.631 30 20 CHED C=CCC[C@@H](NC(=O)/C=C\c1nccs1)c1ccccc1 1121022208 YGYWEKUTLRDNMV-JQPIKURYSA-N 298.411 3.980 30 20 CHED C=C(CC)C(=O)Nc1cc(-c2ccco2)nn1C(C)C 1123871461 NEXRFDNKAXBBMA-UHFFFAOYSA-N 273.336 3.629 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(C#N)ccc1F 1126756633 QWSZXLRZFKXXMZ-XHDPSFHLSA-N 288.366 3.642 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 1158091150 OZZTYXOFGIYMCF-JTQLQIEISA-N 286.281 3.730 30 20 CHED N#CCc1ccc(CN2CCCc3cc(F)cc(F)c32)cc1 1167016864 QQCTYXIHHLBECK-UHFFFAOYSA-N 298.336 3.984 30 20 CHED N#Cc1cccc(NCc2cc(O)cc(Cl)c2)c1 1178311066 WTQRNDGIAOALQJ-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C[C@]1(CNCc2ccc(C#N)c(F)c2)C[C@@H]1c1ccccc1 1182370390 SZTYJFFRJRGNJX-IEBWSBKVSA-N 294.373 3.981 30 20 CHED Cc1ccc(Cl)cc1CNCc1cccc(F)c1C#N 1184153979 NAYYCRJTTJLPHC-UHFFFAOYSA-N 288.753 3.949 30 20 CHED COc1cccc([C@@H](C)Sc2ccnc(C#N)c2)c1 1185726525 MZGXOHPZHPKQLY-LLVKDONJSA-N 270.357 3.815 30 20 CHED C[C@@H](C#N)N(CCOc1cc(Cl)cc(Cl)c1)C1CC1 1195918786 JLJCSKNUWCAPKW-JTQLQIEISA-N 299.201 3.749 30 20 CHED N#Cc1cccc(-c2nnc(-c3ccc4c(c3)CCC4)o2)c1 1258175499 WRHQODJOORGJDU-UHFFFAOYSA-N 287.322 3.764 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)c1csc(C#N)c1 1261260241 GYHCNBRJYNXEHA-ZDUSSCGKSA-N 276.405 3.661 30 20 CHED COc1cc(/C=C\C(=O)c2coc(C(C)C)n2)ccc1F 1261504751 PVTGZHFGIZVGGJ-ALCCZGGFSA-N 289.306 3.842 30 20 CHED C#C[C@H](C)OC(=O)c1ccc2c(c1)oc1ccccc12 1263382578 BCSCNVNEXKEWTN-NSHDSACASA-N 264.280 3.765 30 20 CHED CSCCc1ccc(Nc2cc(C)c(C#N)cn2)cc1 1306955333 FKJYIMGNZVILHD-UHFFFAOYSA-N 283.400 3.911 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCCc1ccc(C#N)cc1 1307753397 WKGNMSOEWJJQHL-ZIAGYGMSSA-N 256.393 3.515 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1CC1(CC#N)CC1 1307854796 KBVHQRSGELGJBD-MRXNPFEDSA-N 268.404 3.948 30 20 CHED CC(C)(C)c1ccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)nn1 1318928480 JJEINIMSESBXTO-MQYQWHSLSA-N 298.434 3.998 30 20 CHED Cc1ccc([C@H](C)NC(=O)CC#Cc2ccccc2)s1 1319211343 LGQVWOFDJULAHH-AWEZNQCLSA-N 283.396 3.676 30 20 CHED Fc1ccc(/C=C\C=NNCc2ccc(F)cc2)cc1 1319592116 QGCPKTHAXVOFEP-PCKQYGQHSA-N 272.298 3.754 30 20 CHED CC(C)[C@H]1CCC[C@H]1Nc1ccc(OCC#N)cc1 1319864420 RICPLRNECDZWJR-HZPDHXFCSA-N 258.365 3.826 30 20 CHED C#CCCCCCC(=O)O[C@H]1c2ccccc2OC[C@@H]1C 1320242396 OYSFDVRLSJQNQS-KBXCAEBGSA-N 286.371 3.883 30 20 CHED N#CCc1cccc(N[C@H]2CCC[C@@H]2Cc2ccccc2)n1 1320358994 CBWCBEUUUFKGBB-AEFFLSMTSA-N 291.398 3.971 30 20 CHED CC(C)CN(CCC#N)C(=O)C1C[C@H]2CCC[C@H](C1)C2 1321182171 WFGIODWYAPMAEK-GJZGRUSLSA-N 276.424 3.601 30 20 CHED C=C[C@@H](Cc1nnc(Cc2ccncc2)o1)c1ccccc1 1323026865 IAFGIJDWHKSAMV-HNNXBMFYSA-N 291.354 3.568 30 20 CHED Cc1ccc(CCCNC(=O)c2csc(C#N)c2)c(C)c1 1324400572 DOYURFPHELKWBO-UHFFFAOYSA-N 298.411 3.599 30 20 CHED C=CCOCCSc1ncc(-c2ccccc2)o1 1324925169 SEDOBHIDADRUHV-UHFFFAOYSA-N 261.346 3.636 30 20 CHED CC(C)(C)Oc1ccc(CCN[C@@H]2CC[C@H](C#N)C2)cc1 1325159916 UNDVRVDDILXXSM-JKSUJKDBSA-N 286.419 3.688 30 20 CHED CC[C@@H](C)c1nnc([C@@H]2C[C@H]2c2cccc(C#N)c2)o1 1326986165 NRVCHYPCSRKSSV-DDTOSNHZSA-N 267.332 3.726 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)[C@H](C)C#N)CCC2)cc1 1331193431 OWCSVVHFZAOOKQ-CQSZACIVSA-N 284.403 3.602 30 20 CHED C=C[C@@H](CC(=O)NCCCC(F)F)c1ccccc1 1332904735 BTGZHBPSTZIIJM-LBPRGKRZSA-N 267.319 3.508 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(F)cc1 1336126946 QUHTZBAIRMPWQW-GFCCVEGCSA-N 261.340 3.771 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2[nH]ccc2c1 1337489641 XPUCCNRKPIEXNE-OAHLLOKOSA-N 268.360 3.739 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc1 1339102257 JSECKWBOAJFWIS-HRCADAONSA-N 298.386 3.603 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 1346115858 NPJPNVGFYMIARU-CYBMUJFWSA-N 286.400 3.926 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNCc1ccc(F)cc1 1347634771 WFUVRWMCBISVJM-AWEZNQCLSA-N 273.355 3.621 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cccn1C1CC1 1347782574 QGEFGOCIWXRMRK-ZDUSSCGKSA-N 281.359 3.726 30 20 CHED Cc1cc(C(=O)OCC2(CC#N)CC2)c2ccc(F)cc2n1 1350024594 WINJFZDRDGTQDX-UHFFFAOYSA-N 298.317 3.533 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccsc1C#N 1435163781 ZDNVWOUTQXMVDV-NEPJUHHUSA-N 276.405 3.566 30 20 CHED C/C=C/c1ccc(Oc2cc(C#N)nc(CC)n2)c(OC)c1 1472636696 QFILKDNGLHYMPJ-GQCTYLIASA-N 295.342 3.745 30 20 CHED C=CCN(C(=O)c1ccnn1[C@@H](C)CC)c1ccccc1 1520012832 BDOGJIDTIPKRNS-AWEZNQCLSA-N 283.375 3.687 30 20 CHED CC[C@](C)(NC(=O)c1ccc(C)c(C#N)c1)c1ccccc1 1521853931 AKAWMZNVHNTJRO-IBGZPJMESA-N 292.382 3.922 30 20 CHED N#CC[C@@H](C(=O)NCc1cccc(Cl)c1)c1ccccc1 1522184808 IXWMNVPGKONEKK-MRXNPFEDSA-N 298.773 3.654 30 20 CHED N#Cc1ccc(N(C(=O)c2ccccc2)C2CCC2)cc1 1533787471 NRJDZTGTHFTDBM-UHFFFAOYSA-N 276.339 3.758 30 20 CHED C=CCCCCCCCN[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@H]21 1588798828 SADSDHXRMNKULW-ZJIFWQFVSA-N 279.424 3.602 30 20 CHED C[C@@H](C(=O)O)c1cccc(Nc2cccc(F)c2C#N)c1 1589539757 KOUWETJVTXLUEJ-SNVBAGLBSA-N 284.290 3.629 30 20 CHED N#Cc1cc(F)cc(NC(=O)Cc2ccc(Cl)s2)c1 1596855619 HDNHIYXPYWHQRC-UHFFFAOYSA-N 294.738 3.593 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ccoc2C(=O)O)cc1C 1600148326 ZXWUCLUIMDESTA-SNAWJCMRSA-N 284.311 3.799 30 20 CHED Cc1ccc(C2(CN=c3cc[nH]cc3C#N)CCC2)cc1C 1612324640 DQDKJGCTFLAQML-UHFFFAOYSA-N 291.398 3.526 30 20 CHED CC1(C#N)CN(C(=O)c2cc3c(ccc4ccccc43)o2)C1 1626538321 WSFDUFSCQPLSPV-UHFFFAOYSA-N 290.322 3.572 30 20 CHED N#Cc1sccc1C(=O)Nc1cccc2ccc(O)cc12 1632301356 KNZNVXJVEWUNBH-UHFFFAOYSA-N 294.335 3.731 30 20 CHED CCc1ccc2c(c1)CCN(Cc1cccc(F)c1C#N)C2 1653270255 VASXWRHEBDPWEE-UHFFFAOYSA-N 294.373 3.818 30 20 CHED COc1cc(CN2CCCC(C)(C)[C@@H]2C#N)ccc1Cl 1653522531 NHYONAOAZUFHFO-HNNXBMFYSA-N 292.810 3.863 30 20 CHED CC[C@H](CC#N)N[C@@H](C)c1nccc2ccccc12 1664166436 AVCQEDHXVULXSZ-GXTWGEPZSA-N 253.349 3.578 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)NCC(C)(C)CC#N 1668916275 FBGVACKTJHSPLN-CQSZACIVSA-N 293.455 3.974 30 20 CHED CC1(C)OB(c2cccc3oc4ccccc4c23)OC1(C)C 1772769008 CKQXGVLPVWNAIS-UHFFFAOYSA-N 294.159 3.885 30 20 CHED O=C(O)c1cc(C=NNc2ccc(Cl)cc2)cs1 1776033083 WPLJYGRLDOPHTP-UHFFFAOYSA-N 280.736 3.546 30 20 CHED O=C(O)c1ccc(-c2ccc(C=NOCC3CC3)cc2)cc1 1776065619 PEDDGVFDXCVNAB-UHFFFAOYSA-N 295.338 3.812 30 20 CHED CCC(=NNc1ccc(C(=O)O)nc1)c1ccc(CC)cc1 1776069653 WCSDXSXUAOMTDL-UHFFFAOYSA-N 297.358 3.568 30 20 CHED Cc1nc(-c2c(Cl)cccc2Cl)nc(C#N)c1C 1898208357 PVRZYXOBCMDFPQ-UHFFFAOYSA-N 278.142 3.939 30 20 CHED COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1F 7905203 XOXMLHMBOKITRI-MDWZMJQESA-N 268.287 3.657 30 20 CHED Cc1cnc(SCc2ccccc2C(C)(C)C#N)nc1 178028696 VYCMPHIUJTYSAP-UHFFFAOYSA-N 283.400 3.879 30 20 CHED C=C(Cl)CNCc1ccc2cc(OC)ccc2c1 134792294 YRHUGFRBSBQPRY-UHFFFAOYSA-N 261.752 3.691 30 20 CHED C=CCS[C@H](C(=O)N1CCCCC1)c1ccccc1 114757445 HKTQMAWGZGQBTR-HNNXBMFYSA-N 275.417 3.659 30 20 CHED C=CCOc1cccc(NC(=O)c2cscc2C)c1 176160661 OTTOBORSKRRQPB-UHFFFAOYSA-N 273.357 3.874 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(Cl)ccc1SC 69360148 RMMLEEKXDIHPHP-SNVBAGLBSA-N 299.823 3.982 30 20 CHED O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccco1 118960655 VAWYSIPGVWHLTR-CMDGGOBGSA-N 265.268 3.831 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1ccc(C#N)cn1 302224113 NYLHPYDMKUEIQB-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@](C)(c2ccccc2)C1 116974234 NKWNWSOUBRAMEE-MAUKXSAKSA-N 286.419 3.714 30 20 CHED COc1cc(CNCC2(C#N)CCC2)cc2ccccc12 418144724 UZVPOKZKOGMAJN-UHFFFAOYSA-N 280.371 3.632 30 20 CHED CC(C)(CCCc1ccccc1)C(=O)NCCCCC#N 171992341 HHEAOLWVMHEDMO-UHFFFAOYSA-N 286.419 3.846 30 20 CHED CNc1ccc(C(=O)Nc2cccc(C#N)c2)c(Cl)c1 1440414428 BQMHSSBRVHIREO-UHFFFAOYSA-N 285.734 3.506 30 20 CHED CCOc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1O 172044838 UWVXCNROOXBCBR-QPEQYQDCSA-N 298.313 3.752 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1F 171482371 HJNSHSWEGMRXMD-LBPRGKRZSA-N 294.285 3.765 30 20 CHED N#Cc1cc(Cl)ccc1NCCc1cn2ccccc2n1 301215825 XTZVWDMMFQXZKK-UHFFFAOYSA-N 296.761 3.514 30 20 CHED CCC(CC)(CCO)CNc1c(C#N)cnc2ccccc12 301440512 VHNOFAAXXXATGN-UHFFFAOYSA-N 297.402 3.707 30 20 CHED CC1(C)CCC[C@@H](C(=O)N(CC#N)c2ccccc2)C1 179423940 OVLXDVOBGVFONV-CQSZACIVSA-N 270.376 3.760 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@H]1C 66416787 UTOTTYWEIGVOIR-CJNGLKHVSA-N 270.376 3.599 30 20 CHED Cc1nc(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)ccc1C#N 416295454 TYIPKYNLRLGHSF-GOEBONIOSA-N 299.418 3.549 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCC(F)(F)C1 312129970 OLDIYASISOGTCG-LBPRGKRZSA-N 278.302 3.631 30 20 CHED CC(=O)c1ccc(CNc2c(Cl)cccc2C#N)nc1C 302062118 SJIVQUJPAJQZQP-UHFFFAOYSA-N 299.761 3.730 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C(C2CC2)C2CC2)n1 127610917 RJEUKVPYWDNVJW-LBPRGKRZSA-N 288.416 3.879 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 84697651 AZCKNRFGTOBQPU-GXTWGEPZSA-N 289.375 3.597 30 20 CHED C[C@]1(CNc2ccc(C#N)c(Cl)c2)CCCC[C@H]1O 301484259 GNJVBCMDMXLEGV-HUUCEWRRSA-N 278.783 3.565 30 20 CHED CC[C@H](C(=O)N(CC#N)C1CCCC1)c1ccc(F)cc1 415202634 OUPFYCKWVLIPMP-INIZCTEOSA-N 288.366 3.614 30 20 CHED COc1cccc2c1N(Cc1cc(C#N)ccc1F)CCC2 31581800 IKCAEDHRWAWMLO-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)c2ccccc21 120964059 DAFYUBBXDXKHOG-SNVBAGLBSA-N 298.292 3.600 30 20 CHED C[C@H](NCCCC#N)c1ccc(OCC2CC2)c(F)c1 181591263 USSFNCCFWZZLMT-LBPRGKRZSA-N 276.355 3.569 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2ncccc12 121148761 MNQDOXGDSLXQBV-UHFFFAOYSA-N 266.344 3.942 30 20 CHED N#Cc1ccccc1/C=C1/Cc2ccc(F)cc2C1=O 121297377 KJMJQYRTBHBUFW-AUWJEWJLSA-N 263.271 3.520 30 20 CHED CC(C)CNC(=O)c1ccccc1Oc1ccccc1C#N 182161259 LVCSARUNNUBZKP-UHFFFAOYSA-N 294.354 3.736 30 20 CHED C=CCNC(=O)Nc1ccc(NCCC(C)(C)C)cc1 187529351 OJDFPCOKNJNVGD-UHFFFAOYSA-N 275.396 3.842 30 20 CHED C[C@H]1CC(Nc2cc(Cl)ccc2C#N)C[C@H](C)O1 122856919 IUSLZAKURQIVJC-UWVGGRQHSA-N 264.756 3.580 30 20 CHED Cc1ccc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1[N+](=O)[O-] 185850088 AZTUWXRPDJUIJQ-VNHYZAJKSA-N 287.363 3.636 30 20 CHED CC(C)(CCC#N)CNC[C@H]1C[C@H]1c1ccccc1 174378466 NFAKYMNXSLXGTI-CVEARBPZSA-N 256.393 3.710 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1cc(Cl)ccc1Cl 125074182 ZEIWHTAQJPUHPE-VIFPVBQESA-N 289.158 3.880 30 20 CHED CC[C@@H](SC)C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 127747952 OTBIJFUUNLVVIT-IUODEOHRSA-N 290.432 3.609 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)nc1 187312128 NOBCABCBAATBCI-LBPRGKRZSA-N 285.778 3.800 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccsc1 75299315 NZPYHNORLZUCKD-HOTGVXAUSA-N 296.395 3.660 30 20 CHED COc1cc(CN(C)[C@@H](C)c2ccccc2F)ccc1C#N 319861610 IDQULGBSFPBCAG-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1ccc(SCC)cc1 182129922 PRBZTBGPQRGPNQ-HIFRSBDPSA-N 279.449 3.776 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc(F)c(Br)c1 411765194 AIDROCDVKGQVDL-VHSXEESVSA-N 299.187 3.931 30 20 CHED CC[C@H](CC#N)NCc1cc(C)c(C)cc1OC(F)F 184091728 VVLAFFZIOQBBRW-CYBMUJFWSA-N 282.334 3.687 30 20 CHED C=C[C@@H]1CCCCN1Cc1noc(C2CCCCC2)n1 489477485 OOFXMUWYDREGSI-CQSZACIVSA-N 275.396 3.658 30 20 CHED COc1cc([C@H](C)NCCC#N)ccc1OC1CCCC1 411452129 OVWCEEKZKHNDQI-ZDUSSCGKSA-N 288.391 3.581 30 20 CHED C#CCCCNCc1ccc(Cl)c(C(F)(F)F)c1 174611483 BLCISIRJSMDLQV-UHFFFAOYSA-N 275.701 3.862 30 20 CHED CC(C)Oc1ccc(NC(=O)N[C@H](C)CC#N)c(Cl)c1 187251957 SFIJUZACVBQDHK-SNVBAGLBSA-N 295.770 3.551 30 20 CHED Cc1cn2c(/C=C/C(=O)c3cccs3)c(C)nc2s1 73116075 LXPXQAVAUULWJC-AATRIKPKSA-N 288.397 3.970 30 20 CHED C[C@H](OC(=O)CCC1CCC1)c1ccc(C#N)cc1 79172983 YGHVTECTNZNJSO-LBPRGKRZSA-N 257.333 3.743 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)C1CCC1 412841107 OFZQCKLPTHEOHI-RHSMWYFYSA-N 271.404 3.726 30 20 CHED COC1(C(=O)O[C@H](C)c2ccc(C#N)cc2)CCCCC1 187654679 NDZYVQGAXUKZHQ-CYBMUJFWSA-N 287.359 3.512 30 20 CHED C=CCCc1ccccc1NC(=O)C1(C2CC2)CCOCC1 410345734 DLJLOJYWOQOFSH-UHFFFAOYSA-N 299.414 3.951 30 20 CHED COc1ccccc1-c1nc(CSCCC#N)cs1 413015027 RMXRZAUBOYJZOE-UHFFFAOYSA-N 290.413 3.966 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccccc1OC 79840184 BICVOZCEBZDANV-UHFFFAOYSA-N 299.345 3.663 30 20 CHED N#CC1(CSc2ccc(C(F)(F)F)cn2)CCC1 450716029 NVNZITHXGFAWCC-UHFFFAOYSA-N 272.295 3.886 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(Cl)cc1F 500862980 MXALWHMTUZAYKF-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#Cc1cccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1 47375632 OVEYJHBQYMXZRO-MRXNPFEDSA-N 297.317 3.597 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1ccc(F)cc1F 194590209 DNLLFRLPHLRTLQ-SOFGYWHQSA-N 269.250 3.733 30 20 CHED C=C(C)CCc1noc(COc2ccc(OCC)cc2)n1 508638146 QGCOSYKUVWSSTC-UHFFFAOYSA-N 288.347 3.556 30 20 CHED CCCCN(CCCC)C(=O)NCc1ccc(C#N)cc1 46046522 JECPIVBTGDYBBN-UHFFFAOYSA-N 287.407 3.670 30 20 CHED CCc1ccsc1C(=O)[C@@H](C#N)c1nc(C)cs1 49004228 DNRLCGJRIIUUNN-SNVBAGLBSA-N 276.386 3.566 30 20 CHED C=CCSCCNC(=O)c1csc2c1CC[C@@H](C)C2 195728604 DMHSLFVFCOHGIZ-LLVKDONJSA-N 295.473 3.522 30 20 CHED N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1 46439680 OQURCZRIQLWTQB-SNVBAGLBSA-N 291.137 3.878 30 20 CHED Cc1noc(C2CC2)c1N=C(O)[C@H](C)c1ncccc1F 329902699 PNVZWBIXIJSIRQ-MRVPVSSYSA-N 289.310 3.786 30 20 CHED C=CCOc1cccc(NC(=O)c2ccoc2Cl)c1 192291285 FOFZBVGQJFJGCB-UHFFFAOYSA-N 277.707 3.750 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(Cl)cc1F 192530758 XYWVFVIWDOVPOO-UHFFFAOYSA-N 268.719 3.685 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(-c2csc(C)n2)c1 84697605 PPUAOLFXLFMTJF-ZDUSSCGKSA-N 286.356 3.578 30 20 CHED CC1CCC(C)(/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CC1 329880403 NMOGECHYPOUDMF-TVIZTDCDSA-N 288.391 3.931 30 20 CHED C=C[C@@H](CC(=O)NCc1cccc(C#N)c1)c1ccccc1 130362614 KDVWSEVKQOHREA-KRWDZBQOSA-N 290.366 3.534 30 20 CHED C[C@H]1CCC[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 132788974 RWOXSDPIAWQHKO-BPUTZDHNSA-N 285.391 3.519 30 20 CHED Cc1ccc2c(c1)[C@H](NCCc1cccc(C#N)c1)[C@@H](C)C2 514692202 NPCZIDBCVWIWOC-MGPUTAFESA-N 290.410 3.932 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2c(s1)C[C@@H](C)CC2 426566006 DIGUPKIYAZNQLU-STQMWFEESA-N 276.449 3.808 30 20 CHED CCC1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 80082235 CMJXVHSPPUSSNW-UHFFFAOYSA-N 299.418 3.668 30 20 CHED CCc1cnc(C/N=C(/O)N[C@@H]2CCCC[C@@H]2CC)s1 330936005 QDLZTQIKJJMUQP-WCQYABFASA-N 295.452 3.678 30 20 CHED CCCC1CCC(N(C)C(=O)NCC(C)(C)C#N)CC1 512777710 HVVWBXOSBKNAOH-UHFFFAOYSA-N 279.428 3.536 30 20 CHED CCCCOc1ccc(CN(CCC#N)CC2CC2)cc1 513730398 ZRJWJLCRYCZNOA-UHFFFAOYSA-N 286.419 3.991 30 20 CHED CC(C)(C#N)CC(=O)NC1(Cc2ccccc2)CCCC1 331011813 ZQZBZBPJECKASE-UHFFFAOYSA-N 284.403 3.598 30 20 CHED Cc1ccccc1-c1csc(NC(=O)[C@@]2(C#N)C[C@@H]2C)n1 336248674 FGIFKQZIJCSMFG-MEDUHNTESA-N 297.383 3.607 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc2ccsc12 337404188 LYZWEWBKNCFNTG-NSHDSACASA-N 275.373 3.821 30 20 CHED Cc1ccc(C)c(NC(=O)N2CCC(CCC#N)CC2)c1 335478957 ZHBCJYFLDICIBK-UHFFFAOYSA-N 285.391 3.851 30 20 CHED CC(=O)c1c(C)cc(C)c(CN[C@@H]2CCC[C@@H]2C#N)c1C 330813808 FMZBDBTZVKCPQA-NVXWUHKLSA-N 284.403 3.596 30 20 CHED CC[C@H](C)[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 237032315 SQEGLWQGJOJNMW-LSDHHAIUSA-N 273.424 3.561 30 20 CHED OC(=Nc1nc2cccnc2[nH]1)C1CCCCCC1 330054290 RTFBGGWGURWGNA-UHFFFAOYSA-N 258.325 3.516 30 20 CHED N#Cc1cccc(SCCOc2cccc(F)c2)c1 435046062 ZKUIEMFBMPLKGP-UHFFFAOYSA-N 273.332 3.868 30 20 CHED C[C@H]1CCC[C@H](C(=O)Nc2ccccc2CC#N)C1 336254404 CIAVGQACCKPTIB-JSGCOSHPSA-N 256.349 3.517 30 20 CHED C=CCCO[C@H](C)C(=O)N(CCCC)c1ccccc1 519999826 ZPMADISGWOECML-OAHLLOKOSA-N 275.392 3.801 30 20 CHED CCCN(CC#N)Cc1cc(C)c(Br)s1 92398285 LQLWFEDLFDUFDC-UHFFFAOYSA-N 287.226 3.555 30 20 CHED CCN(CCC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 437586165 XRKPIYXFYBHGDX-IAGOWNOFSA-N 256.393 3.732 30 20 CHED Cc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 237749494 KJEMSUVDOOZPKI-UHFFFAOYSA-N 294.398 3.967 30 20 CHED C=CCCOCCN[C@H]1CCSc2ccc(F)cc21 90884016 DPYHTDBJQYNJEK-AWEZNQCLSA-N 281.396 3.545 30 20 CHED C[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)[C@H]1C 245551339 BDHSXAVLDUGTBA-HOTGVXAUSA-N 286.419 3.990 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(Cl)cc1C#N 435593052 ORLLQOQYMNZKLK-NHYWBVRUSA-N 276.767 3.605 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 341487412 PCJAUPFQCHSUHQ-BXUZGUMPSA-N 262.740 3.586 30 20 CHED N#Cc1ccc(OCc2ccc(OC(F)F)cc2)cc1F 520930004 PYQLBJJXEGLYNO-UHFFFAOYSA-N 293.244 3.878 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(Cl)c(F)c1 435735386 MLVIWDRSEXSZEC-SWLSCSKDSA-N 283.774 3.550 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2ncc(C#N)cc2Cl)o1 524165938 GUMKLPBRNKHXRL-JOYOIKCWSA-N 287.750 3.935 30 20 CHED C=CCOCCCN1CCCSc2ccccc21 347971665 PATXYTKYKFMPJP-UHFFFAOYSA-N 263.406 3.582 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc3c(c2)COC3)CCCC1(C)C 347461049 FOIMUPCWFVFUQO-QGZVFWFLSA-N 299.414 3.924 30 20 CHED N#Cc1nn(CC#Cc2ccccc2Cl)c2ccccc12 432488182 IZZXIELQBWACGE-UHFFFAOYSA-N 291.741 3.613 30 20 CHED C=CCOc1ccc(C(=O)NC2C[C@H](C)C[C@@H](C)C2)cc1 606818393 KHCONTMMCAPCKK-ZIAGYGMSSA-N 287.403 3.806 30 20 CHED C[C@@H](SCc1cccnc1)c1ccc(C#N)cc1 341901840 NQNWHJGOJBOCRN-GFCCVEGCSA-N 254.358 3.948 30 20 CHED Cc1cc(NCc2ccc3[nH]c(C)cc3c2)cc(C#N)n1 343809600 PYUWVGULBPUBDU-UHFFFAOYSA-N 276.343 3.664 30 20 CHED CCc1ccc(C(C)(C)NCc2cccc(C#N)n2)cc1 602573128 OHNFOOCWTJPJKX-UHFFFAOYSA-N 279.387 3.541 30 20 CHED CC(C)(C)C(=O)CS[C@@H](C#N)CCc1ccccc1 601077992 FKMNSSKCVFTYCV-CQSZACIVSA-N 275.417 3.860 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccccc1Cl 346946101 XRXOPEMNHPTURG-UHFFFAOYSA-N 299.761 3.896 30 20 CHED C=CCCOCCCCC(=O)NCc1ccccc1Cl 342636918 WNGKKNDFQGDHNA-UHFFFAOYSA-N 295.810 3.719 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(CCC#N)Cc2cccnc2)CC1 251700232 JYESTCSYENZTGR-JCNLHEQBSA-N 299.418 3.540 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 449898050 OJDIPRLPXHYCJT-SMDDNHRTSA-N 295.810 3.744 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@H](C)CC 606921209 ZBJDTXFNWALKJT-KBPBESRZSA-N 254.418 3.809 30 20 CHED Cc1nn(C)cc1/C=C1/COc2c(cccc2C(C)C)C1=O 255756867 ULKGKQCPHOQYML-ZSOIEALJSA-N 296.370 3.511 30 20 CHED COCc1ccc(/C=C\C(=O)c2cccc(OC)c2)cc1 255109016 GXYQZJGEKRCQJE-KHPPLWFESA-N 282.339 3.738 30 20 CHED Cc1ccc(C#N)cc1N=Cc1cc2ccccc2nc1O 255328286 KNMLHZBTYKHGDJ-UHFFFAOYSA-N 287.322 3.871 30 20 CHED Cc1ccc(C#N)cc1NCc1cccc(-n2cccn2)c1 354864742 YPGGXUTXQGGLAT-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=CCn1c(C2CCC2)nnc1N(CC)C[C@H](C)CC 351115210 LYQSGSHNVFSKSR-CYBMUJFWSA-N 276.428 3.604 30 20 CHED Cc1cccc(C(C)(C)NCCOc2ccc(C#N)cc2)c1 538214845 HMPCHHQDUGKYHZ-UHFFFAOYSA-N 294.398 3.770 30 20 CHED C=CC(C)(C)C(=O)N(Cc1ccc(F)cc1)CC1CC1 449915797 UYSCWALJFPRWBG-UHFFFAOYSA-N 275.367 3.777 30 20 CHED CN(Cc1ccoc1)c1c(C#N)cnc2c(F)cc(F)cc12 352300394 CFKGAJWANDIXBD-UHFFFAOYSA-N 299.280 3.614 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(CCC(C)C)C1CCCC1 448819590 BYTZFGBISLTYEP-UHFFFAOYSA-N 287.407 3.626 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)c1ccsc1 352526571 PDCRDVVKKINHHD-LLVKDONJSA-N 251.395 3.570 30 20 CHED N#CCCCCCc1nc([C@H]2CCCCS2)no1 350180250 HNWSJOWJBDHHHQ-LLVKDONJSA-N 265.382 3.654 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCc2ccccc2C)C1 617783575 BZUCPDKPMMCCCO-INIZCTEOSA-N 271.404 3.742 30 20 CHED C#C[C@@H](/N=C(\N)Nc1cccc(C(C)C)c1)C(C)(C)C 262248262 BUPCUYHXYXCVQJ-OAHLLOKOSA-N 271.408 3.585 30 20 CHED C=C(C)CN(CCC(C)(C)C#N)Cc1cnn(C(C)C)c1 352939699 BRQYYBXGCAXFQU-UHFFFAOYSA-N 288.439 3.782 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1csc(CC)n1 539390828 AGSUNWODQRMBRK-LBPRGKRZSA-N 295.452 3.592 30 20 CHED CCCC[C@@H](C)C(=O)Nc1sc(CC)cc1C#N 443418131 RSTDUKBEFBDWTM-SNVBAGLBSA-N 264.394 3.947 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612098572 UZJUGWYXZFWJBJ-WMZOPIPTSA-N 299.418 3.863 30 20 CHED CC(C)(CC#N)CN[C@H]1CCC[C@H]1c1ccccc1 459725522 CUCQVSHDTVRZIZ-HOTGVXAUSA-N 256.393 3.852 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1scnc1C(C)C 456441917 RYZSYJKKOKDSRB-CYBMUJFWSA-N 252.383 3.807 30 20 CHED CCO[C@H]1C[C@H](Nc2nc(C)cc(C)c2C#N)C12CCCC2 361236674 LCRRFNYRQYTLQW-HOTGVXAUSA-N 299.418 3.720 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C[C@@H]2c2ccccc2)cc1F 362299920 JEKPGYHDEZMQGU-GOEBONIOSA-N 294.329 3.830 30 20 CHED C=CCCNC(=O)[C@H](c1cccc(Cl)c1)C(C)C 617616411 WEALDXVVQFPHNB-AWEZNQCLSA-N 265.784 3.772 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H]1CCSc2ccccc21 454237708 HNMHRLVGBDOJFH-ZDUSSCGKSA-N 290.432 3.735 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1cccc(C)c1)C(C)(C)C 539339921 PTHNTUZDGKAIFC-IRXDYDNUSA-N 275.436 3.999 30 20 CHED C=CCC1(NC(=O)Cc2cccs2)CCCCC1 456385788 SAQSOCBHPIOBLE-UHFFFAOYSA-N 263.406 3.686 30 20 CHED CCOc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 618742776 SDAQYNBGPQIKJC-IBGZPJMESA-N 292.382 3.734 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(OC)c(Cl)c(OC)c1 458230300 XVITXXGBRMBCPH-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C=CCC1(c2nc(CCCOC(C)C)no2)CCCC1 453141763 TUIBYBLCXMVWEM-UHFFFAOYSA-N 278.396 3.815 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 455304118 BVVOFMAPEJJHSX-WBVHZDCISA-N 286.419 3.788 30 20 CHED CSCCCCCNc1cc(C(C)=O)ccc1C#N 274815549 ZFCGYDVUULRMGI-UHFFFAOYSA-N 276.405 3.706 30 20 CHED C=C[C@H](Cc1nc([C@@H]2C[C@@H]2C)no1)c1ccccc1 546486598 VXTDGSXRUZDNLG-OUCADQQQSA-N 254.333 3.705 30 20 CHED C=C(C)[C@H](CC(=O)N1CC2(CCC2)c2ccccc21)OCC 360499767 IBUABKVPQPRFCG-KRWDZBQOSA-N 299.414 3.826 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCO[C@H](C(C)(C)C)C1 540144901 UEMSKSVKSANIDC-KKUMJFAQSA-N 253.430 3.915 30 20 CHED C=C(C)CCNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 455325164 MWIZKGPCOMTVTO-INIZCTEOSA-N 284.403 3.889 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)CC(C)(C)C#N)c(C)c1 278587083 STASIUJUWMBFJK-AWEZNQCLSA-N 272.392 3.763 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cn(CCCC)nc1C 540319935 HIWVHECILQXMFP-UONOGXRCSA-N 263.429 3.682 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ccc(F)cc1F 620858137 XOLDETMIFGKFDI-UHFFFAOYSA-N 281.346 3.758 30 20 CHED C=CC[C@H]1N(C(=O)CCc2cscn2)CCCC1(C)C 278522915 ZEGOEBJCALPJOX-CQSZACIVSA-N 292.448 3.669 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)CCCc1cccnc1 457952948 WTZZBZGSNGVOIJ-AWEZNQCLSA-N 274.408 3.511 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2nc3ccccc3s2)C1 278246831 MCFAFHJYMJBHGL-QWHCGFSZSA-N 285.416 3.511 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N[C@](C)(C#N)C(C)(C)C 274313524 IQRGSDODLNDZJF-KBXCAEBGSA-N 286.419 3.933 30 20 CHED C=CCCC(C)(C)NC(=O)CSc1cccc(OC)c1 620858528 IEWMZYMFFQXTGZ-UHFFFAOYSA-N 293.432 3.648 30 20 CHED C[C@H]1CN(Cc2ccc(CC#N)cc2)c2ccccc2O1 544145845 APKIPZAOWNZKTO-AWEZNQCLSA-N 278.355 3.540 30 20 CHED C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H](C)C1 544444432 FJSAYACSJVPORI-HFAKWTLXSA-N 290.794 3.766 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCc3c(O)cccc32)c1C#N 273328158 LPXGHMURTNMATQ-AWEZNQCLSA-N 299.761 3.720 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)[C@H]1COc2ccccc21 370498689 IEMYFOPHJSFTPW-GOEBONIOSA-N 286.419 3.861 30 20 CHED C=CCCN(C)C(=O)NC1CC(C)(C)CC(C)(C)C1 466809960 UHTVTOIKNJTDOE-UHFFFAOYSA-N 266.429 3.809 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2CCC(F)(F)C2)c1 282078150 WCAIQQPSEPKYAA-LLVKDONJSA-N 278.302 3.608 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc2[nH]c(C)cc2c1 286695606 PSJCZWKVCJMEPU-KRWDZBQOSA-N 270.376 3.695 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1cc(C)on1 378441728 AONOFJNMHNYCLU-WFASDCNBSA-N 291.395 3.574 30 20 CHED C=CCC[C@H](CCC)NC[C@@]1(C)CCO[C@@H]1C1CC1 468048043 MUFSKLSECYAKIU-GVDBMIGSSA-N 265.441 3.916 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1ncc[nH]1)c1ccc(F)c(F)c1 285959112 FJMGHIIMZJDLSV-HZMBPMFUSA-N 277.318 3.656 30 20 CHED CCC(CC)(CCO)NCc1ccccc1C(C)(C)C#N 282531655 VASHHBXFFUAMHX-UHFFFAOYSA-N 288.435 3.519 30 20 CHED C[C@H](C#N)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 462641994 SQYWVYYIYVWSMG-HZPDHXFCSA-N 292.382 3.936 30 20 CHED C#CC(C)(C)N(C)Cc1ccc(OCc2cccnc2)cc1 286261730 SUGWVCPWQXYKHY-UHFFFAOYSA-N 294.398 3.504 30 20 CHED C[C@H](CNCCc1cccc(C#N)c1)Cc1ccccc1 467541028 DENFTBWRWJLCCQ-INIZCTEOSA-N 278.399 3.569 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 460602716 QTFHBPQAKPSIKJ-BZUAXINKSA-N 299.414 3.950 30 20 CHED Cc1cccc(C[C@H](NCc2cccc(C#N)c2)C2CC2)c1 553454453 GIEJUXQYMMGIES-FQEVSTJZSA-N 290.410 3.978 30 20 CHED C=C(C)CCN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 463199174 GMYSGRLCWPKMDC-YYIAUSFCSA-N 265.441 3.604 30 20 CHED Cc1cc(N2CCC[C@H]2/C=C\c2ccccc2)cc(C#N)n1 553185554 ZKMHOHRMTQITNY-LPADLIQXSA-N 289.382 3.944 30 20 CHED C=CCC[C@@H](NC1CCSCC1)c1ccco1 286303829 WWOKVEIOUAHMNZ-CYBMUJFWSA-N 251.395 3.772 30 20 CHED C=CCCCCNC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 474090837 UKXUTLUHHGDZSE-RBSFLKMASA-N 264.413 3.705 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)/C=C/c1ccccc1C#N 801093852 BGVDGSVRZLISJA-RDRICISKSA-N 296.414 3.999 30 20 CHED C=CC[C@H]1N(C(=O)C[C@@H]2C=CCC2)CCCC1(C)C 470288631 UBUAFTJNKFFILN-HUUCEWRRSA-N 261.409 3.936 30 20 CHED CSc1ccc([C@@H](C)NCC2(C#N)CC2)cc1F 809659634 UKWVMWNGDCQSAN-SNVBAGLBSA-N 264.369 3.502 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC(C)(C)C1 476675856 VYFGOMZAWLRKAT-AWEZNQCLSA-N 298.430 3.996 30 20 CHED N#C[C@]1(C(=O)Oc2ccc(Cl)cc2F)CC12CCCC2 297830800 NBDFGEAZQWYQKA-HNNXBMFYSA-N 293.725 3.859 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(Br)cc1 470288502 JLZFQRISGMDWRP-RJRFIUFISA-N 285.144 3.886 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(F)ccc1Cl 293721418 VPXKNNZNFMUPNW-JTQLQIEISA-N 255.720 3.564 30 20 CHED C=CCC[C@H](NCCN(C)[C@H](C)CC)c1ccco1 560526933 JCRQIMVARNHYSQ-CABCVRRESA-N 264.413 3.607 30 20 CHED C=CCCCNC(=O)NCc1ccc(OCC)c(Cl)c1 560107052 KURNODXCGVKGTL-UHFFFAOYSA-N 296.798 3.504 30 20 CHED COc1cncc(CON=Cc2ccc(C(C)C)cc2)c1 808245804 YFYZRKQWBHPFBT-UHFFFAOYSA-N 284.359 3.764 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1cc2ccccc2o1 802797933 OSEOKTUHPICOET-ZBEGNZNMSA-N 271.316 3.977 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc(-c2ccccc2)on1 293190882 WLRHNBWSGDUKRQ-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C=CCCCCNC(=O)NCc1c(C)c2ccccc2n1C 472178676 ZFCVHIZHGMJESC-UHFFFAOYSA-N 299.418 3.642 30 20 CHED C=CCCCCSc1nccn1Cc1ccccn1 649483873 RQGILPOQMHCSSS-UHFFFAOYSA-N 273.405 3.775 30 20 CHED C[C@@H](C#N)OCCSCc1ccc(C(F)F)cc1 802752049 NVRZASCZZGDNIG-JTQLQIEISA-N 271.332 3.786 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1Cl)c1ccnc(O)c1 806555371 CPPMSJQEHIVYMC-DAFODLJHSA-N 294.137 3.990 30 20 CHED Cc1nc(Cl)c(Cl)cc1C(=O)OCCCCC#N 805723220 VOLOZCYEAZTWAN-UHFFFAOYSA-N 287.146 3.548 30 20 CHED C#C[C@@H](C)NCc1cnc(-c2ccc(Cl)cc2)s1 809683892 JUSUEYACRAXMAO-SNVBAGLBSA-N 276.792 3.575 30 20 CHED C=CCCCC(=O)N[C@H]1C[C@@H](OCC)C12CCCCC2 479854819 WPELZJNOXCPCOL-LSDHHAIUSA-N 279.424 3.587 30 20 CHED C[C@H]1C[C@@H](C)CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 476421450 ZCJXKBKBDRSGTC-GJZGRUSLSA-N 298.430 3.996 30 20 CHED C#C[C@@H](NC(=O)[C@](C)(C=C)CC)c1ccc(Cl)cc1F 804422585 SGPHNTFBCMQNBX-GDBMZVCRSA-N 293.769 3.872 30 20 CHED CCCCn1c(SCCCC#N)nc(C)c1C 298123279 CCQZBXNSAIYJLG-UHFFFAOYSA-N 251.399 3.696 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Cc1cncc2ccccc12 561634782 JPTRTVQTNQHWES-YOEHRIQHSA-N 296.414 3.884 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2Cc3ccccc32)CCCC1(C)C 470297355 LZUOMAXVILRMOL-DLBZAZTESA-N 283.415 3.920 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC1CC(C)C1 475934730 ANHQQOMDOQVNFS-UHFFFAOYSA-N 264.413 3.563 30 20 CHED C=CCCCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 473776521 QPRRKHIRNLGGRV-UHFFFAOYSA-N 291.351 3.689 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccs2)CCCC1(C)C 470311645 ZQRQXDZCYBSARC-ZDUSSCGKSA-N 263.406 3.955 30 20 CHED C=C(C)C[C@@H](C)c1nc(-c2ccncc2N2CCCC2)no1 561909036 BWYGXPHXICVXMJ-CYBMUJFWSA-N 298.390 3.802 30 20 CHED C=CCC[C@H](C)NCC1(CCOC)CCCCC1 480715544 UPOXTLHUKGGBMN-HNNXBMFYSA-N 253.430 3.918 30 20 CHED Clc1ccc2c(c1)C(=NNc1ccccc1)CO2 814684491 VUHBFOHZCGEHIE-UHFFFAOYSA-N 258.708 3.549 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccccc1C#N 814905544 YKVDOFXEVWFSFE-UHFFFAOYSA-N 267.307 3.842 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N[C@@]2(C#N)CC2(C)C)CC(C)(C)C1 484911574 QNDSVODTMQZABI-IIYDPXPESA-N 276.424 3.647 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(CC)c(C)c1 810660611 LSSYEQHANMOSAQ-UHFFFAOYSA-N 277.367 3.720 30 20 CHED Oc1c(C=NOC2CCCC2)ccc2ccccc12 814894415 MDWMOKJWXBMQBC-UHFFFAOYSA-N 255.317 3.839 30 20 CHED CSC(C)(C)CC=NNc1cccc(F)c1[N+](=O)[O-] 814919324 PWQUHEZJSMSCBJ-UHFFFAOYSA-N 285.344 3.663 30 20 CHED c1ccc2c(c1)OCC2=NNc1nccc2sccc12 814809303 WLILCVXQNRKJJV-UHFFFAOYSA-N 281.340 3.505 30 20 CHED C[C@@H]1SCCC1=NNc1ccccc1OC(F)(F)F 814906596 BBIYSVLSEVGLPT-QMMMGPOBSA-N 290.310 3.879 30 20 CHED C=CCC(C)(C)CNC(=O)COc1ccc(F)cc1Cl 489987172 HOOUZQUNVMWKEZ-UHFFFAOYSA-N 299.773 3.576 30 20 CHED CCCc1nc(C)c(CN2CCCc3cc(C#N)ccc32)o1 574462441 IOBZSCBDDLFRCL-UHFFFAOYSA-N 295.386 3.760 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](C)[C@@H](CN)C1 818010020 HFUKFRXKBLDNLG-IRXDYDNUSA-N 296.499 3.961 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(C(=O)O)c(Cl)c2)C1 656760666 XEVRUQDTGJJHKB-GFCCVEGCSA-N 293.794 3.826 30 20 CHED COc1cc(NCc2ccc(CC#N)cc2)c(C)cc1C 480306942 DCGLTBRISKILFO-UHFFFAOYSA-N 280.371 3.990 30 20 CHED CC(C)[C@@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1F 571875708 WLGSARCILLUTMC-BLLLJJGKSA-N 291.345 3.695 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cc3ccccc3c(Cl)n2)C1 819945575 VFNXSCRTOZYMHP-CMPLNLGQSA-N 271.751 3.992 30 20 CHED C#Cc1ccccc1CC(=O)N(C)[C@@H](C)c1ccccc1F 810065401 TXDFQTLQRCCUIH-AWEZNQCLSA-N 295.357 3.569 30 20 CHED c1ccc([C@H]2CCC(=NO[C@H]3CCCCO3)C2)cc1 814887065 HEORNYSTXIOLRM-HOCLYGCPSA-N 259.349 3.853 30 20 CHED Cc1ccc(O)cc1C(=O)OCCCCC(C)(C)C#N 811312915 CWTHTNWVTFUKBW-UHFFFAOYSA-N 275.348 3.578 30 20 CHED C#CCON=C(C)c1ccccc1SC(C)(C)C 812232707 KOXPYJZOLKGUFP-UHFFFAOYSA-N 261.390 3.951 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1ccc(C#N)s1 486650288 KJKXSTKANCUNCK-UHFFFAOYSA-N 264.394 3.564 30 20 CHED C=CCOC(=O)c1ccc(Nc2nc(C)cs2)cc1 811319827 FOWGVADASICJNE-UHFFFAOYSA-N 274.345 3.538 30 20 CHED CCCCCCc1ccc(C(C)=NNc2cnnn2C)cc1 814980776 LRPXXMDBFQRUIS-UHFFFAOYSA-N 299.422 3.774 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2CCCc2ccccc2)cn1 486929108 UTISVCHLCIZPBC-SFHVURJKSA-N 291.398 3.945 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 819964381 MSMLYCDVRQCQTM-AWEZNQCLSA-N 289.350 3.653 30 20 CHED Cn1c([C@@H](C#N)C(=O)CC(C)(C)C2CC2)nc2ccccc21 815898207 WJDHKKCGUUCONH-ZDUSSCGKSA-N 295.386 3.576 30 20 CHED Nc1ccc2c(c1)C(=NOCCC(F)(F)F)CCCC2 817327179 CVASSMGCMHZWFZ-UHFFFAOYSA-N 286.297 3.668 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 482290931 FWDNJNIWUOCWNM-JQWIXIFHSA-N 292.345 3.761 30 20 CHED N#Cc1ccc(CNCc2ccnc(Cl)c2Cl)cc1 811474579 MNDYBNKCNWHGHJ-UHFFFAOYSA-N 292.169 3.550 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](OC(C)C)C2)CCCCC1 650324832 WYAIQADIXNXSRC-MRXNPFEDSA-N 293.451 3.929 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1csc([C@@H](C)OCC)n1 821447937 NOPYJNDEKBKUAX-LLVKDONJSA-N 297.420 3.886 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2CCCCC(F)(F)C2)C1 495004323 LLYKPOMEDLQEPC-MCIONIFRSA-N 270.367 3.874 30 20 CHED CS[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)C(C)(C)C 571816514 HRVRYJRKLHRMBN-CYBMUJFWSA-N 293.392 3.656 30 20 CHED C=CC[C@H](C)NC(=O)N(C)C/C(C)=C\c1ccccc1 494828881 JCSVDEIVMPBZHD-ZSMUJPCHSA-N 272.392 3.696 30 20 CHED CCN(CCC#N)Cc1ccc(N2CCCCC2)c(C)c1 827968809 LYAPUGIFRAARIL-UHFFFAOYSA-N 285.435 3.721 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H](C)CCCC)c1ccccc1 820591523 UBGBXVLYVZHVPN-GOEBONIOSA-N 272.392 3.581 30 20 CHED CCOc1cc(N=Cc2cc(OC)ccc2O)ccc1C 727265607 VLFLMDJRTPINCT-UHFFFAOYSA-N 285.343 3.859 30 20 CHED C#CC1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 826720670 MCOFMWZZYPRGPI-UHFFFAOYSA-N 288.700 3.603 30 20 CHED C=CCC[C@H](C(=O)NCc1occc1C)c1ccccc1 582113424 DXBYNXUUFGUQND-INIZCTEOSA-N 283.371 3.954 30 20 CHED C#Cc1cccc(NC(=S)N(C)c2ccccc2)c1 726434155 HDXHIWUAOQLUQX-UHFFFAOYSA-N 266.369 3.501 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C(C)(C)CC 588370503 ZIXMGIDARFKKKO-UHFFFAOYSA-N 259.393 3.680 30 20 CHED CC(Cc1cccs1)=NNc1ncnc2sccc12 729637026 UAIWFAMUSNWVJZ-UHFFFAOYSA-N 288.401 3.783 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](CC)C(C)(C)C 494899480 BJVMIOZPFLMZHS-QWHCGFSZSA-N 252.402 3.561 30 20 CHED CC(C)Oc1cccc([C@H](NCC2(C#N)CC2)C(F)F)c1 903106804 VTETYIMQUDNBPA-AWEZNQCLSA-N 294.345 3.673 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccc(F)c(C)c2)no1 904400967 NMRPYUNANCNXHT-UHFFFAOYSA-N 260.312 3.939 30 20 CHED C=CC[C@H](N[C@H]1CCC[C@@H](OCC)C1)c1ccncc1 902807309 XUTVWQSIFSKJCY-BBWFWOEESA-N 274.408 3.636 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C)cc1Cl 905048436 NUSSCABFZVUTIK-FZMZJTMJSA-N 279.767 3.568 30 20 CHED CC(C)[C@H](C#N)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 731881522 FKEJNZFAKJHYDU-KXKDPZRNSA-N 284.403 3.662 30 20 CHED CC[C@@H](N[C@@H](C)c1cccnc1)c1cccc(C#N)c1 902726998 WAQPQEZWCNOGBS-SUMWQHHRSA-N 265.360 3.755 30 20 CHED C=C(C)C[C@H](NC[C@@H](C)CC1CCCCC1)C(=O)O 901681091 AWWZOLHFHINUAB-ZFWWWQNUSA-N 267.413 3.602 30 20 CHED CC[C@H](NC1CCC(OC)CC1)c1cccc(C#N)c1 903016083 DPSOYTWGVVTGPM-JCYILVPMSA-N 272.392 3.557 30 20 CHED CCOc1ccc(O)c(/C=N/CC2Cc3ccccc3C2)c1 735229163 SVTXWKATOOBDCH-DEDYPNTBSA-N 295.382 3.625 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)C#CC(C)(C)C)cc1 837333651 LSGWSFRZFPWOMQ-AWEZNQCLSA-N 257.377 3.564 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(OC)c(Cl)c1 835256394 QSSTURZRARLNPH-UHFFFAOYSA-N 268.740 3.604 30 20 CHED C[C@H](c1ccccc1Cl)N(C(=O)C#CC1CC1)C1CC1 837356229 ASGKHQSVPMHLNN-GFCCVEGCSA-N 287.790 3.805 30 20 CHED C=CC[C@@H](NC(=O)N1CC(CC)(CC)C1)c1ccncc1 838477625 QOKPEYABBSZGGQ-OAHLLOKOSA-N 287.407 3.530 30 20 CHED C=C[C@@H](CC(=O)NCCCCCC(C)=O)c1ccccc1 909101502 SILOSTAZHDQYDR-INIZCTEOSA-N 287.403 3.612 30 20 CHED C=CCNC(=S)N[C@@H](CC)c1ccc(Cl)s1 733905518 LWBPDTJELROGQY-QMMMGPOBSA-N 274.842 3.503 30 20 CHED Cc1cncc(/C=C\C(=O)OCCCCC2(C#N)CCC2)c1 909089056 NOYMJTZAKIEHKC-WAYWQWQTSA-N 298.386 3.811 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2c(Cl)cnn2C)cc1C 588534907 XHSJITMZLFASFV-WAYWQWQTSA-N 288.778 3.895 30 20 CHED N#CCCCCCC(=O)N1CCCCc2sccc21 588985130 OCPIVRYRVBAMFC-UHFFFAOYSA-N 276.405 3.891 30 20 CHED O=C(/C=C\c1ccc(Cl)c(F)c1)c1ccncc1 588386441 RTNBWIYKEZBJCM-RQOWECAXSA-N 261.683 3.770 30 20 CHED CCc1c(NCC#Cc2ccc(F)cc2)cnn1CC(C)C 671147768 DCWVGRDVVWTKGP-UHFFFAOYSA-N 299.393 3.704 30 20 CHED N#CC1(CN[C@@H]2CCC[C@@H]2CCc2ccccc2)CC1 584566548 ZSKOZMSGRIMAPX-IAGOWNOFSA-N 268.404 3.681 30 20 CHED C#CC1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 831057327 GRUWTLPTSSPLFR-UHFFFAOYSA-N 297.185 3.871 30 20 CHED C=CCON=C(C)c1sc2nc(C)nc(C)c2c1C 835015368 IOHDOQCWDVMDGL-UHFFFAOYSA-N 275.377 3.543 30 20 CHED CC(C)COC[C@@H](N[C@H](C#N)c1ccccc1)c1ccco1 595425091 JAUVJBREABROPV-IAGOWNOFSA-N 298.386 3.848 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1Cc1ccc(C#N)cn1 595600967 LRHBTBANRDEIBZ-SFHVURJKSA-N 291.398 3.907 30 20 CHED C=CC(C)(C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 835201158 UBRYDYPOUUOAMU-JTQLQIEISA-N 262.378 3.655 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1cccc(O)c1 916155632 OIIQIZNKYYVBMK-CLFYSBASSA-N 275.307 3.837 30 20 CHED C=CCN(C(=O)NCCCSc1ccccc1)C(C)C 918058624 HHIMBPKQFKPXRM-UHFFFAOYSA-N 292.448 3.775 30 20 CHED CC[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)C1CCCCC1 595484688 NANMBRKYRIKLCZ-GDBMZVCRSA-N 291.439 3.681 30 20 CHED CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C1CCCCC1 595093730 ONLUPMRDPNRJMK-RTBURBONSA-N 298.430 3.730 30 20 CHED CN(Cc1cn2ccccc2c1C#N)C1CCCCCC1 590829196 IJCASYPJARVSCD-UHFFFAOYSA-N 281.403 3.966 30 20 CHED C[C@@H](CCc1cccc(F)c1)C(=O)Oc1ccc(C#N)cc1 744017520 GRFODCGBCRBIHN-ZDUSSCGKSA-N 297.329 3.872 30 20 CHED C=CCCCON=Cc1ccccc1Br 740872983 YVLUCHUYNIQSGR-UHFFFAOYSA-N 268.154 3.766 30 20 CHED C#C[C@H](OC(=O)C1CCC1)c1cccc(C(F)(F)F)c1 842408505 HYNCUPXVKCYZKY-ZDUSSCGKSA-N 282.261 3.723 30 20 CHED Cc1cccc2ncc(/C=C\C(=O)c3ccc(F)c(F)c3)n12 748997199 AVAKJWKJFYOWHE-VURMDHGXSA-N 298.292 3.817 30 20 CHED C[C@H](NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1cccc(C#N)c1 590673277 ZQGQEMDGUOQUSL-VWPFQQQWSA-N 284.403 3.808 30 20 CHED Cc1cnc([C@@H](N[C@H](C#N)c2ccccc2)C2CC2)s1 595429525 FXLWWIGOCKPXEU-CABCVRRESA-N 283.400 3.757 30 20 CHED CCOc1cccc(/C=N\Cc2c(C)cccc2F)c1O 743043401 WEBXGRNPAOELEP-GRSHGNNSSA-N 287.334 3.858 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCc1ccc(Cl)cc1Cl 594093659 SIUOWAZOMVNLNG-LBPRGKRZSA-N 299.201 3.687 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CCSc2ccccc21)C1CC1 842316624 MMYDPTNOOWXEAJ-CABCVRRESA-N 286.396 3.611 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)c1cc(F)ccc1F 843268062 CVPSJFTULRVFPY-GQCTYLIASA-N 290.313 3.713 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC(C)(C)CC(F)(F)F)c1 590859218 SAOGVFHPEPABPK-UHFFFAOYSA-N 299.296 3.719 30 20 CHED N#Cc1cc(Cl)c(C(=O)NC[C@@H]2C=CCC2)c(Cl)c1 914281940 DYLUZUKBDWVKEX-SECBINFHSA-N 295.169 3.561 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNCc2cc(F)ccc2F)o1 915979647 XNGOLOUVKFFWPP-HZMBPMFUSA-N 290.313 3.805 30 20 CHED C=C[C@H](C)ONC(=O)N(CC)[C@@H](CC)c1ccccc1 845633871 OVPSOFZBCYMPCT-ZFWWWQNUSA-N 276.380 3.675 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)/C=C/c1ccccc1C#N 742801099 CJWLNXVYCYZMMC-GNDWGAAVSA-N 296.414 3.999 30 20 CHED C=CCN(C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1)C(C)C 918078416 STFJRYLVGWZEHF-TZMCWYRMSA-N 276.380 3.509 30 20 CHED Cc1cc(C)c(C=NNc2nc3ccccc3n2C)cc1C 915967108 BQXPTJXEKKBVCB-UHFFFAOYSA-N 292.386 3.945 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 593401187 ZSTIMXFCRSOIMO-WDEREUQCSA-N 298.308 3.775 30 20 CHED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1C[C@H]1C 591241399 CQGOIHWRFJXNEK-KLWIRTJPSA-N 254.377 3.570 30 20 CHED C=CCSCCNC(=O)C1(C(F)(F)F)CCCCC1 596972504 BPPXUFTWWIHDRC-UHFFFAOYSA-N 295.370 3.535 30 20 CHED COc1ccc([C@H](C)CSc2ccc(C#N)cn2)cc1 594890205 PCBCGXVENANAKF-GFCCVEGCSA-N 284.384 3.858 30 20 CHED C=CCCSCCNc1ncnc2oc(C)c(C)c12 594660193 LUIVERJZHHLDPG-UHFFFAOYSA-N 277.393 3.561 30 20 CHED CCN(CCC#N)C(=O)c1cc2cc(Cl)ccc2s1 596889540 CSJGFGNNYOCJQG-UHFFFAOYSA-N 292.791 3.930 30 20 CHED Cc1noc(C)c1-c1ccc(C2(C#N)CCC2)s1 592577689 VNDDRVKGVUKGIT-UHFFFAOYSA-N 258.346 3.965 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1ccsc1 595055851 KPIOFRPPGQMYJR-MRXNPFEDSA-N 270.401 3.903 30 20 CHED C=C(C)CONC(=O)C1CCC(c2ccccc2)CC1 846538526 XWOWGWJPORNKSE-UHFFFAOYSA-N 273.376 3.584 30 20 CHED C=CCCCCCCNC(=O)c1cn(C(C)C)nc1C 847048873 LOSAONKIECDGKI-UHFFFAOYSA-N 277.412 3.639 30 20 CHED CCOc1cccc(/C=N/CC2(OCC)CCCC2)c1O 840704504 BCLYNEPPJFCFGL-LDADJPATSA-N 291.391 3.559 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1 597178050 UYLCIQCOGDRVFW-OAHLLOKOSA-N 284.403 3.601 30 20 CHED C=CC[C@H](C(=O)NC[C@@H](C)C1CC1)c1ccccc1 681653888 IPVZBNKXUFRELP-CJNGLKHVSA-N 257.377 3.509 30 20 CHED COCCOCc1cccc(N[C@H](C)CC(C)(C)C#N)c1 925753449 HOPYTWYNVRXZQT-CQSZACIVSA-N 290.407 3.590 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccccc1 925578942 IUTLGERSBRGZDR-VNQPRFMTSA-N 282.391 3.581 30 20 CHED CCN(C)C(=O)c1cccc(N[C@@H](C)CC(C)(C)C#N)c1 926423842 NDQYEKLCDNQGIO-ZDUSSCGKSA-N 287.407 3.519 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1cnn(C(C)C)c1)O2 759118031 RELBAZRMCNQGCH-FRKPEAEDSA-N 282.343 3.697 30 20 CHED CCCCCCCCNC(=O)/C=C/c1cncc(F)c1 755146716 ILVDCVMOSRBMGN-CMDGGOBGSA-N 278.371 3.711 30 20 CHED C=C[C@H](C)NC(=S)Nc1ccc(SC(F)F)cc1 756796884 LXWJECOKVDYUPK-QMMMGPOBSA-N 288.388 3.862 30 20 CHED C=CCCOCC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 920465022 UYQWBFXMEPKQLY-LSDHHAIUSA-N 281.440 3.548 30 20 CHED C#CCOc1ccccc1CNCc1ccccc1C1CC1 751147555 WPPVUSIOCPNKGC-UHFFFAOYSA-N 291.394 3.866 30 20 CHED CC(C)[C@@H](NC[C@H](O)CC#N)c1ccc(C(C)(C)C)cc1 929859872 BPVAAXIKHPXYLP-IAGOWNOFSA-N 288.435 3.545 30 20 CHED C#CCOc1ccc(NC(=O)c2cc(Cl)ccc2C)cc1 753080199 RCKZOFIPHHFERH-UHFFFAOYSA-N 299.757 3.913 30 20 CHED CC(C)C#CC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 854893429 LTAPPFNSCNFXCA-GDBMZVCRSA-N 289.806 3.752 30 20 CHED C#CC[C@@H](NCCOCc1ccccc1)c1ccccc1 851902285 OXIHZJSLOLUUDC-LJQANCHMSA-N 279.383 3.557 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(Cl)s1 851213786 KDLSXIXSLQFPEG-MRVPVSSYSA-N 271.769 3.887 30 20 CHED CS/C=C\C(=O)Nc1ccccc1SC[C@@H](C)C#N 751576705 CMQCPPGXQGFUNR-TVRMLOFPSA-N 292.429 3.754 30 20 CHED CC(C)(C)OC(=O)NC1CCC(=NOCC2CCC2)CC1 853439251 GDJNJAQUIYMEJS-UHFFFAOYSA-N 296.411 3.626 30 20 CHED C#C[C@H](CC)NC(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 753274236 XPOWTIFVHAFIFB-JQHSSLGASA-N 298.430 3.624 30 20 CHED C/C(=C/C(=O)N(C)c1ccccc1C#N)c1ccc(F)cc1 752819042 GUJOPJPHPWLCBC-QBFSEMIESA-N 294.329 3.764 30 20 CHED Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1F 851211648 AWJOKCONLPHVSJ-LLVKDONJSA-N 263.312 3.619 30 20 CHED C#C[C@H](CC)Nc1ccc(C(F)(F)F)c(Cl)n1 752929804 UNZFTVNGVGNNRY-SSDOTTSWSA-N 262.662 3.578 30 20 CHED C[C@H]1CC(F)(F)CCN1CCCCC1(C#N)CCC1 931254977 POZFQDMLUNMQKL-ZDUSSCGKSA-N 270.367 3.970 30 20 CHED C#CCCSc1nnc(Nc2ccccc2F)s1 751743665 BEMQUUBRHUAIIR-UHFFFAOYSA-N 279.365 3.536 30 20 CHED C[C@H](CC(=O)Nc1ncc(C#N)s1)C1CCCCC1 759633643 KNEHCNIGXFIHHA-SNVBAGLBSA-N 277.393 3.560 30 20 CHED CN(CCC#N)c1ccc(CN2C3CCCC2CCC3)cc1 769499972 UCPKEXONHIDLFF-UHFFFAOYSA-N 297.446 3.943 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](CC)CCc1ccccc1 862691879 WGMIFXDPUJPYSF-INIZCTEOSA-N 271.404 3.564 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccccc1-c1ccccc1 766036282 HYMUDDDGQIBFEF-VAWYXSNFSA-N 288.350 3.983 30 20 CHED Cn1ncc(C2CC2)c1C=NNc1cccc(F)c1Cl 863158839 TZQPWZXILFONLE-UHFFFAOYSA-N 292.745 3.536 30 20 CHED Cc1cc(C)c(C=NNCc2ccc(C#N)cc2)cc1C 769822233 XXZIIRGAGLFKLD-UHFFFAOYSA-N 277.371 3.607 30 20 CHED Cc1cccc(NN=C2CCc3ccccc3CC2)n1 863161189 YTFKENQHAFWJHE-UHFFFAOYSA-N 265.360 3.737 30 20 CHED C[C@@H]1CCC(=NNc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1C 769821874 FGWCUAOOGHJYNZ-NXEZZACHSA-N 279.315 3.958 30 20 CHED CC(C)(C)CCNN=Cc1ccc(F)c(C#N)c1Cl 761826322 AJTXVNIPKNRUKT-UHFFFAOYSA-N 281.762 3.710 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1F)CCO2 763102340 WZOVQTHIRIHLDU-RAXLEYEMSA-N 298.313 3.883 30 20 CHED CCn1nc(/C=C2\Cc3ccccc3C2=O)c2ccccc21 769741604 FOKNQKVBOSAKQS-WYMLVPIESA-N 288.350 3.879 30 20 CHED CC#CCCCC(=O)OCc1coc(-c2ccc(C)cc2)n1 767672086 JIMPEZSTQSMOMI-UHFFFAOYSA-N 297.354 3.887 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCCc2n[nH]cc21 879495431 KHCUQBHPLOQZBW-UHFFFAOYSA-N 296.374 3.513 30 20 CHED Cc1cccc(CCC(=O)Oc2ccc(C#N)c(C)c2)c1 765094593 MVGXHTQCZNQILS-UHFFFAOYSA-N 279.339 3.713 30 20 CHED C#CC[C@@H](OC(=O)c1cc(C)cc(Cl)c1)c1ccccn1 763506053 XPHGNYHZHYWDGP-MRXNPFEDSA-N 299.757 3.965 30 20 CHED CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H](C)CCC#N 876584914 SMYXXBLZESYYGX-MRXNPFEDSA-N 287.451 3.903 30 20 CHED C#CCCCCCc1nc(Cc2ccc3c(c2)CCC3)no1 770916522 JIZXVRTWAWCHKV-UHFFFAOYSA-N 294.398 3.885 30 20 CHED COc1ccccc1C1(N[C@@H](C)CC(C)(C)C#N)CCC1 1119631650 AUHNKDWLUPNQPQ-AWEZNQCLSA-N 286.419 3.992 30 20 CHED CCc1noc(C)c1C(C)=NOC1CCCCC1 777457109 LBXXKHRQLTVVAF-UHFFFAOYSA-N 250.342 3.619 30 20 CHED CC1(C)CCC[C@@H]1C(=O)OCc1ccc(F)cc1C#N 772603368 SEDIURABECNODU-CQSZACIVSA-N 275.323 3.567 30 20 CHED C#CCCCCCC(=O)N[C@H](C)CCCC(C)C 779710927 ICWDPBIMXKGZOT-OAHLLOKOSA-N 251.414 3.901 30 20 CHED C#CC[C@H](N[C@H]1CCc2ccccc2C1)c1ccccc1 773118087 YMQBTUDOHRDNCZ-PMACEKPBSA-N 275.395 3.898 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(Cl)nc2Cl)cn1 779357676 BUOUPJOJCLPDKR-HWKANZROSA-N 296.157 3.501 30 20 CHED C=CCN(C(=O)NCC(C(C)C)C(C)C)C(C)C 775030321 QVLAUXPWMMEKIE-UHFFFAOYSA-N 254.418 3.521 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 879094163 PLHKFDXGFBWXHS-LBPRGKRZSA-N 290.363 3.683 30 20 CHED C[C@H](C(=O)OCC#Cc1ccc(F)cc1)C1CCCC1 771367517 AFXDVEDPIZCRLZ-ZDUSSCGKSA-N 274.335 3.547 30 20 CHED C=CCCC[C@H](C)NC(=O)C(F)(F)c1ccccc1 775924071 GRWGBCKYUZGWQP-LBPRGKRZSA-N 267.319 3.639 30 20 CHED C[C@@H](CCC#N)CN1CC[C@H](c2c(F)cccc2F)C1 877399254 LLGKRYJSLVFUMJ-STQMWFEESA-N 278.346 3.694 30 20 CHED CC(C)(C)n1cc(N[C@H]2CCCc3cc(C#N)ccc32)cn1 777274008 HQMQVRISOFZGBW-KRWDZBQOSA-N 294.402 3.999 30 20 CHED COC(=O)c1cccc(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 779826636 ADADOZMURZGXHO-XHDPSFHLSA-N 298.342 3.636 30 20 CHED C[C@H](Oc1ccccc1F)c1nnc(C#CC(C)(C)C)o1 1118367574 QZWFZEJMOCGTLS-NSHDSACASA-N 288.322 3.746 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 775634930 ZVXTZOBOPUPLIS-CABCVRRESA-N 296.455 3.720 30 20 CHED CSC1(CN[C@@H]2CCC[C@H](C#N)C2)CCCCC1 886740789 IYCLQKAUCYXPST-UONOGXRCSA-N 266.454 3.724 30 20 CHED CC(C)[C@H](C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887704642 NAIINZYYCUOXGB-AWEZNQCLSA-N 284.403 3.556 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCCOc2ccccc21 779891227 XCXSCXXZQBHCMJ-INIZCTEOSA-N 285.387 3.600 30 20 CHED COc1cccc(NN=C(C)c2ccc(C)cc2C)n1 779819267 LSPZRRAPSNXYBB-UHFFFAOYSA-N 269.348 3.543 30 20 CHED CC(C)OCCNN=C(C(C)C)C1CCCCC1 778550902 FNQVNFNYMNFVSX-UHFFFAOYSA-N 254.418 3.593 30 20 CHED CCc1noc(C2CCC(=NNCCC(C)(C)C)CC2)n1 782906590 BBLPBYCXUASQJN-UHFFFAOYSA-N 292.427 3.671 30 20 CHED C[C@H](CC(=O)OCc1ccc(C#N)cc1Cl)C1CC1 784210578 WLPYCVPCXFZMBC-SNVBAGLBSA-N 277.751 3.691 30 20 CHED CC(=NNc1ccccc1F)c1cnn(C(C)(C)C)c1C 787152058 PCIMFDULZYZQJQ-UHFFFAOYSA-N 288.370 3.922 30 20 CHED C#CCOCCC(=O)O[C@H](CC)c1cccc(Cl)c1F 787029136 XTBNYOASKIZBGO-CYBMUJFWSA-N 298.741 3.513 30 20 CHED C[C@H](OC(=O)CCc1ccc(O)cc1)c1ccc(C#N)cc1 783084132 PARZIZRGTABLIH-ZDUSSCGKSA-N 295.338 3.501 30 20 CHED C[C@@H](OC(=O)CCc1ccc(O)cc1)c1cccc(C#N)c1 783083065 IDRGTWYFKDNCIB-CYBMUJFWSA-N 295.338 3.501 30 20 CHED C=C1CN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)C1 898699024 XIQHVSQJEVOAHU-WDZFZDKYSA-N 281.277 3.507 30 20 CHED CCCCCCC[C@H](C)NCc1cccn(CC)c1=O 789751800 HSDVTRVJNBTEGB-HNNXBMFYSA-N 278.440 3.707 30 20 CHED CC(=NNc1nc(C)cc(O)n1)c1cc2ccccc2s1 780185902 FIIHRFVMXXMWJA-UHFFFAOYSA-N 298.371 3.541 30 20 CHED Cc1cc(C)c(NC(=O)[C@@H](CC#N)c2ccccc2)cc1O 1138069906 RFKYLQOGQWLQBC-HNNXBMFYSA-N 294.354 3.645 30 20 CHED C=CCCN(OCc1ccccc1)c1ncncc1Cl 786803077 DWUZKBCTQNFXSP-UHFFFAOYSA-N 289.766 3.644 30 20 CHED CC[C@@H](C)NN=Cc1ccc(OC(F)F)c(Cl)c1 790188519 JWSLFKFZEWCHPU-MRVPVSSYSA-N 276.714 3.663 30 20 CHED CC(C)C[C@@H](C(=O)Nc1ncc(C#N)s1)c1ccccc1 896480226 AISLBGWDGYWMQW-CQSZACIVSA-N 299.399 3.783 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(C#N)cc1 796322895 LMHHJFGLQBAOPY-ZBFHGGJFSA-N 299.370 3.501 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1cc(C)ccc1C 798374960 DRDAYPOZFCBQPY-CYBMUJFWSA-N 262.422 3.945 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CCC=CO1 795815827 DVXHXZXVDAAZDD-WMZOPIPTSA-N 282.387 3.608 30 20 CHED N#CC[C@@H](CC(=O)N1CCCCCCC1)c1ccccc1 792909498 WMTLCCCCUZFRNN-KRWDZBQOSA-N 284.403 3.867 30 20 CHED COc1cccc(CC(=NNc2ncccc2F)C2CC2)c1 794983747 FENKQBGXSLQZES-UHFFFAOYSA-N 299.349 3.650 30 20 CHED C[C@@H]1CC[C@H](OC(=O)C[C@H](CC#N)c2ccccc2)C1 796817744 BKFNSEHTFDKFDG-KBMXLJTQSA-N 271.360 3.806 30 20 CHED c1ccc(CCCNN=C2CCCC23CCOCC3)cc1 799878708 FRGLTLBTMMKBIL-UHFFFAOYSA-N 286.419 3.546 30 20 CHED CSCCON=C(C)CCc1ccc(F)cc1 794573411 ACMCURJMUURVBY-UHFFFAOYSA-N 255.358 3.514 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1cc(Cl)ccc1F 797888654 MCCAFNLZWGNTRP-UHFFFAOYSA-N 293.681 3.609 30 20 CHED Cc1ccc(C(=O)N2Cc3ccccc3[C@H](C)C2)cc1C#N 799296969 KBVNXVODBFRTAM-CQSZACIVSA-N 290.366 3.626 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(C#N)cn1 793152871 LXSOQZCNXRRXAP-CHWSQXEVSA-N 299.805 3.888 30 20 CHED C#C[C@@H](OC(=O)c1ccc(F)c2ccccc12)C1CC1 796789914 JRLPKCYLYAUSTC-MRXNPFEDSA-N 268.287 3.548 30 20 CHED CC(=NNc1cccc(F)n1)c1cc(C)sc1C 795008371 GFLUYVBGDLDYPM-UHFFFAOYSA-N 263.341 3.735 30 20 CHED CC(C)CCc1ccc(NC(=O)c2ccc(C#N)o2)cc1 794253445 CACJRUKKRGNUGK-UHFFFAOYSA-N 282.343 3.992 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NN[C@H](C)C(C)(C)C 793112972 YPMAPQGIOXBSOY-CQSZACIVSA-N 284.407 3.539 30 20 CHED C=CCOC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798783681 KAUXDMTUQAKWBE-SECBINFHSA-N 258.239 3.538 30 20 CHED N#CC1(COC(=O)[C@H](F)CC2CCCCC2)CCC1 796849301 GSKWIHQFNYKPSY-CYBMUJFWSA-N 267.344 3.532 30 20 CHED C=CCC[C@H](C(=O)OC[C@H]1CCO[C@H]1C)c1ccccc1 793442123 PEBLGHSUHXULBL-UAGQMJEPSA-N 288.387 3.705 30 20 CHED C=C(C)CNC(=S)Nc1ccc(CC)c(Cl)c1 795141742 ILQGVXWGCZBFKW-UHFFFAOYSA-N 268.813 3.765 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1ccnc(Cl)c1 794946075 MUUVTXSJOWOSLU-IWQZZHSRSA-N 295.672 3.615 30 20 CHED CSCCON=C(C)CCc1cccc(C)c1 794577605 XKVNAKIXZPZZMC-UHFFFAOYSA-N 251.395 3.683 30 20 CHED CCC(=NNc1ncccc1C)c1ccc(OC)c(OC)c1 790190186 GUQUTVLGYKFZNS-UHFFFAOYSA-N 299.374 3.633 30 20 CHED Cc1cc(C)c(/C=C/CN2CC[C@](F)(C#N)C2)c(C)c1 1308687424 BNWVCLLLTWQBIT-BDUNBXCCSA-N 272.367 3.563 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1ccc2[nH]ncc2c1 1166339451 UQBYMXWLTUTJKP-HNNXBMFYSA-N 279.368 3.790 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)/C(=C/c1scnc1C)C2=O 1318852372 YEXBOFVRXCEHGZ-ISAHRAOESA-N 285.368 3.849 30 20 CHED C[C@H]1CC(NC(=O)Nc2ccc(F)cc2C#N)C[C@H](C)C1 1310384814 IIGZKHQPUAZLRE-GHMZBOCLSA-N 289.354 3.644 30 20 CHED N#Cc1ccnc(/C=C\c2csc(-c3ccccn3)n2)c1 1321170976 UYWVPRVKHVMADJ-PLNGDYQASA-N 290.351 3.642 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1320082604 PPCJTOUCLLCPQF-CQSZACIVSA-N 296.418 3.682 30 20 CHED CC1(C)CCCN(C(=O)c2cccc(Cl)c2F)[C@@H]1C#N 277804951 GPLQPWWWAXULPZ-GFCCVEGCSA-N 294.757 3.633 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1(C(C)(F)F)CC1 1329070306 LCCVORJDJPKWIQ-UHFFFAOYSA-N 297.320 3.776 30 20 CHED CCc1cnc(CN(C)c2ccc(C#N)c(Cl)c2)s1 301457250 CKKOUXBIQZDSIY-UHFFFAOYSA-N 291.807 3.867 30 20 CHED N#Cc1cccc(CNc2cccc(Cl)c2)c1F 223725913 CYROGJPIEMGEAW-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC[C@@H](Cc1nnc(COc2ccc(C#N)cc2)o1)C(C)C 1322038140 XXUUHEFYVFWITQ-AWEZNQCLSA-N 299.374 3.745 30 20 CHED COc1cccc(N[C@H](C)CC(C)(C)C#N)c1F 689953741 MNNXGLFMWORDAI-SNVBAGLBSA-N 250.317 3.575 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H]1Cc2ccccc2O1 62785338 AFUKAUYGXIENJY-AWEZNQCLSA-N 284.746 3.627 30 20 CHED C#CCOc1ccc(NC(=O)C2(CC)CCCC2)cc1 756932589 HQVQVAFTSAQQHM-UHFFFAOYSA-N 271.360 3.608 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)cn2)cc1Cl 575822673 HDEKEDSRRBVXJG-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C=CCN(Cc1nc(-c2cccc(Cl)c2)no1)C1CC1 678537126 HPPYXNSYKOIHOP-UHFFFAOYSA-N 289.766 3.540 30 20 CHED N#Cc1ncccc1NCc1cc2c(s1)CCCC2 589561323 UIMHIFYWGZCVRB-UHFFFAOYSA-N 269.373 3.506 30 20 CHED C=CCC1(C(=O)N=[S@@](C)(=O)c2ccccc2F)CCC1 1337592245 LERQGNRQNPMSQZ-FQEVSTJZSA-N 295.379 3.555 30 20 CHED CC(=O)[C@@H](Cc1ccccc1)Sc1cccc(F)c1C#N 1189433490 VEMCZNQTOUQGGE-QGZVFWFLSA-N 299.370 3.990 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 593636226 KYJQPIQTIICGHT-RDBSUJKOSA-N 264.413 3.647 30 20 CHED C=CCCCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 1339909297 KIQHORMXEKEZLQ-SNVBAGLBSA-N 264.394 3.563 30 20 CHED Cc1ccc2c(c1)CCN2c1nc(C#N)c(Cl)s1 1186358243 BNOKNERJOBJZJF-UHFFFAOYSA-N 275.764 3.671 30 20 CHED C=CCn1cnnc1S[C@H]1CCc2c(Cl)cccc21 1253483299 DGVSYWVMZMOCBI-ZDUSSCGKSA-N 291.807 3.897 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)/C=C\c1nccs1 1263520589 KRTXLSCSGLYGLH-WACGGTQYSA-N 277.389 3.834 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 1346279877 OQCOGWJRMHJCMA-CYBMUJFWSA-N 261.365 3.617 30 20 CHED Clc1ccccc1CNN=Cc1ccc2oncc2c1 1343882024 KKWVFJZYOKIOHR-UHFFFAOYSA-N 285.734 3.605 30 20 CHED C=C(C)CCC(=O)Oc1cccc(NC(=O)OCC)c1 1341970608 AZPXBZKHPAOXPJ-UHFFFAOYSA-N 277.320 3.517 30 20 CHED C=C[C@H](COC)N[C@@H](C)CC(C)(C)c1ccccc1 1342744304 JSSYVGKDJZVRHR-GOEBONIOSA-N 261.409 3.533 30 20 CHED C=C(CC)C(=O)Nc1ccccc1NC(=O)OC(C)(C)C 1519328282 OTYVLIALMNAYFZ-UHFFFAOYSA-N 290.363 3.938 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OCC3CC3)cc2)CC1 1354601472 QLPIGFMTSCAVER-UHFFFAOYSA-N 286.375 3.659 30 20 CHED CC(C)c1cccc(C(=O)NCc2cc(C#N)ccc2F)c1 1354418341 SZEVLJNHWUIEPK-UHFFFAOYSA-N 296.345 3.751 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 1355925771 GEQIGVCNOBSUKP-ISTRZQFTSA-N 271.360 3.845 30 20 CHED C=C(C)CCC(=O)Nc1ccc2c(cnn2C(F)F)c1 1353620409 YEKMIFSMOLSGTP-UHFFFAOYSA-N 279.290 3.726 30 20 CHED CCn1nc(C(C)C)cc1C(=O)O[C@@H](C)CC(C)(C)C#N 1519257543 YIPYBCYCWBRWFN-LBPRGKRZSA-N 291.395 3.512 30 20 CHED C[C@H](NC(=O)OCC1CCCCC1)c1ccc(C#N)cc1 1462929752 VYGUESDQNDQSAC-ZDUSSCGKSA-N 286.375 3.926 30 20 CHED C[C@](C#N)(c1ccc(Br)cc1)C1CC1 114351595 LKBDTZLABVUDEA-GFCCVEGCSA-N 250.139 3.640 30 20 CHED CC(C)c1ccc2c(c1)CN(Cc1cccc(C#N)n1)CC2 1621428928 HGOXHKOEGYTBGA-UHFFFAOYSA-N 291.398 3.635 30 20 CHED CCC[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C(C)(C)C 1627845378 YCSKUAZVSFHDFW-AWEZNQCLSA-N 294.345 3.781 30 20 CHED CC(C)C[C@H](C)CN1CCCc2cc(C#N)ccc21 1643240133 DMDOBSFWIMDSJZ-AWEZNQCLSA-N 256.393 3.993 30 20 CHED C[C@H]1c2c(F)cccc2CCN1CCc1ccc(C#N)cc1 1644682045 NNKYKIMDNMIPHK-AWEZNQCLSA-N 294.373 3.859 30 20 CHED Cc1ccc(C2(CN=c3cc[nH]c(C#N)c3)CCC2)cc1C 1655434808 RGFZUZIIRDVNKD-UHFFFAOYSA-N 291.398 3.526 30 20 CHED N#Cc1ccc(Cl)cc1OCCc1noc2ccccc12 1651876416 CEPRAKLFZJGFAT-UHFFFAOYSA-N 298.729 3.974 30 20 CHED N#Cc1cccc2c1CCN2CCCc1ccsc1 1654789105 IVZARASWVJCIML-UHFFFAOYSA-N 268.385 3.615 30 20 CHED Cc1cc(SCc2nnsc2Cl)ccc1C#N 1652912476 PHLNVSNABOGBCJ-UHFFFAOYSA-N 281.793 3.664 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)cc1C#N 1587283309 QKKAIIFBRIHHDP-WFASDCNBSA-N 276.767 3.832 30 20 CHED C[C@@H](CN1CC(C)(C#N)C1)c1ccc(C(F)(F)F)cc1 1664944747 KWZVEUXLDYYUNU-NSHDSACASA-N 282.309 3.654 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1cc(C)ccc1C 1537432121 XCAHCJTXIIZADT-CQSZACIVSA-N 272.392 3.811 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H]1c1ccc(F)cc1 1642911751 XCTRLXCTHOWCMK-HNNXBMFYSA-N 270.282 3.788 30 20 CHED CC(C)c1ccc(NN=Cc2ccc(C(=O)O)c(O)c2)cc1 1776060232 KVYXKHBNUVPHGK-UHFFFAOYSA-N 298.342 3.660 30 20 CHED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1 12512441 DOHKNPPHNLCXII-KRWDZBQOSA-N 294.354 3.600 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1 158619688 WMODDXACWYHRHP-CQSZACIVSA-N 297.402 3.690 30 20 CHED CC[C@H](C)[C@H](/N=C/c1ccccc1O)C(=O)OC(C)(C)C 157147743 LJVRTOYSUFJAIL-WWJGZXQASA-N 291.391 3.568 30 20 CHED CC(C)c1ccccc1CN1CCC[C@@](C)(C#N)C1 1657895544 MATXTFSIMUHIOH-KRWDZBQOSA-N 256.393 3.936 30 20 CHED CCC(CC)C(=O)Nc1ccc(C#N)c(Cl)c1 6309450 QZWJJPJVNIXNHP-UHFFFAOYSA-N 250.729 3.586 30 20 CHED N#Cc1ccc(NC(=O)NCc2ccc(Cl)s2)cc1 24745121 SEVMGTIDJTXHSW-UHFFFAOYSA-N 291.763 3.595 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCNC2(CCC2)C1 115858964 DGNKOQYQHJGXCH-HNNXBMFYSA-N 280.456 3.528 30 20 CHED C#C[C@H](CC)NCC(c1ccccc1)c1ccccc1 229892465 VLTJBGZTYUFBME-GOSISDBHSA-N 263.384 3.820 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCCC1CCC1 122964863 NXDDLXNPKNKDOP-UHFFFAOYSA-N 269.270 3.574 30 20 CHED C=C(C)CN(CC)CCOc1ccc(Cl)cc1 61758698 HMKKQBOYGDMMPP-UHFFFAOYSA-N 253.773 3.617 30 20 CHED CCCC[C@@H](CC)C(=O)N(C)Cc1cccc(C#N)c1 63240248 CLKLUXSLONNLKE-MRXNPFEDSA-N 272.392 3.733 30 20 CHED C=CC[C@H](C)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 400602048 WYOASPOZUISWJL-KBPBESRZSA-N 296.455 3.576 30 20 CHED CC[C@@H](CC#N)NCCc1cccc(C(F)(F)F)c1 600151362 MVCFIQVDUQMDEG-ZDUSSCGKSA-N 270.298 3.530 30 20 CHED C[C@H]1CCCCN1Cc1ccc(Br)cc1C#N 310275483 JLMBHFKEPYPHMR-NSHDSACASA-N 293.208 3.695 30 20 CHED N#Cc1ccc(N[C@H]2CCCCC23CCCC3)nc1 311695551 LBENEHYPPJIGAG-AWEZNQCLSA-N 255.365 3.868 30 20 CHED Cc1nc(Nc2ccc3c(c2)COC3)c(Cl)cc1C#N 312649601 YKOYOUPICLZYMD-UHFFFAOYSA-N 285.734 3.689 30 20 CHED C[C@@H]1CCCC[C@@H]1CNc1ncc(C#N)cc1Cl 608885337 LHAOMFQHPMXWNR-ZYHUDNBSSA-N 263.772 3.845 30 20 CHED C[C@H]1CCC[C@H](CNCCc2cccc(C#N)c2)C1 466409942 NKUMZMUZALVEDN-YOEHRIQHSA-N 256.393 3.517 30 20 CHED C=CCC[C@@H](CO)NC1CC(c2ccc(Cl)cc2)C1 321275513 FJBDNEPMHAUPPI-SIWZUTFBSA-N 279.811 3.503 30 20 CHED C=CCN(Cc1ccc(Br)cc1)C1CC1 540059400 KMNNYERVLBNTIW-UHFFFAOYSA-N 266.182 3.600 30 20 CHED C[C@H]1CCC[C@@H](CNc2ccc(OCC#N)cc2)C1 89604782 KCQIDAVUYAWPEH-UONOGXRCSA-N 258.365 3.827 30 20 CHED C=CCC(C)(C)CNCc1ccc(Br)cn1 336659879 QJFUFMYLHYJKAJ-UHFFFAOYSA-N 283.213 3.536 30 20 CHED Cc1nc(N(C)[C@@H]2CC[C@H](C)C2)c(Cl)cc1C#N 360066047 MUQOIIZGQCPTDO-JOYOIKCWSA-N 263.772 3.540 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 484018691 QDQKSKUFZZRAQD-HNNXBMFYSA-N 260.356 3.565 30 20 CHED C#Cc1cccc(NC(=O)Cc2c(C)[nH]c3ccccc23)c1 24752627 JYJQVSKAJPDGGR-UHFFFAOYSA-N 288.350 3.639 30 20 CHED N#Cc1ccc(COc2ccc(C#N)cc2Cl)c(F)c1 29893702 YWCOONHGGFSSPO-UHFFFAOYSA-N 286.693 3.801 30 20 CHED N#Cc1cccc(CNCc2ccccc2C(F)(F)F)c1 37501712 SQNMTABKEGADMQ-UHFFFAOYSA-N 290.288 3.867 30 20 CHED C[C@H](NC(=O)C(C)(C)C#N)c1ccc(Cl)cc1Cl 42091722 RSSRPVMMEIIKHB-QMMMGPOBSA-N 285.174 3.720 30 20 CHED CCOc1cc(C#N)ccc1OCc1cc(F)ccc1F 42255026 GWJWLMQLQKSUPN-UHFFFAOYSA-N 289.281 3.814 30 20 CHED C#Cc1cccc(NC(=O)c2cc3cc(C)ccc3o2)c1 42273099 AJXCSNUMTLFNFI-UHFFFAOYSA-N 275.307 3.975 30 20 CHED Cc1ccccc1CN(C)Cc1ccc(C#N)cc1F 42316438 NZQTYTZCJCPLNJ-UHFFFAOYSA-N 268.335 3.638 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1cccc(O)c1 47833150 ZJMAMFPMMWFKFC-BQYQJAHWSA-N 268.312 3.605 30 20 CHED Cc1ccc(CN(CCCC#N)Cc2ccco2)s1 69019942 JCYFSLHHTGLPPS-UHFFFAOYSA-N 274.389 3.956 30 20 CHED CCC(C)(C)CC(=O)N[C@](C)(C#N)C1CCCCC1 73095199 XBNSKVVAZIGCSD-MRXNPFEDSA-N 264.413 3.791 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2N(C)CCCC#N)cc1 75886316 WZHONQLSTGTJEM-IRXDYDNUSA-N 256.393 3.867 30 20 CHED CC[C@H](c1ccc(F)cc1F)[S@](=O)CCCCC#N 78735064 ZICGGTRTOQGHII-KUHUBIRLSA-N 285.359 3.858 30 20 CHED CC[C@@H](C#N)OC(=O)CCCCCc1cccs1 84697731 RHOLSLLEHRCEEF-LBPRGKRZSA-N 265.378 3.696 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccnc1 90665168 QWQAMPJGRBQFBE-PBHICJAKSA-N 265.360 3.777 30 20 CHED CCO[C@H]1C[C@@H](N(C)CC(C)(C)CCC#N)C12CCC2 92041190 XTQKBQTUKKBGCC-CABCVRRESA-N 278.440 3.596 30 20 CHED CCC(CC)N(CC(C)C)C[C@@H](O)c1ccc(C#N)cc1 93309040 NJLCSSVFBACVOS-GOSISDBHSA-N 288.435 3.738 30 20 CHED CCC(CC)N(CC(C)C)C(=O)Cc1ccc(C#N)cc1 93325488 DLBSHMAZOCCKPV-UHFFFAOYSA-N 286.419 3.774 30 20 CHED CCCCNc1ccc(Br)cc1C#N 96731018 ODUNDQOCFYJHFK-UHFFFAOYSA-N 253.143 3.533 30 20 CHED CC[C@H](C#N)NC(=O)CC(c1ccccc1)c1ccccc1 102351131 ZNHDLKZXFOJAHH-QGZVFWFLSA-N 292.382 3.627 30 20 CHED C#Cc1cccc(NC(=O)NC(C)(C)c2ccc(F)cc2)c1 103234108 XHKSQYJWDJTVGQ-UHFFFAOYSA-N 296.345 3.864 30 20 CHED C#CCCCCC(=O)Nc1ccc(-c2nccc(C)n2)cc1 119856757 MPJAEMYRWDQKPF-UHFFFAOYSA-N 293.370 3.584 30 20 CHED C#CCCCCC(=O)NCc1ccc(Cl)cc1OCC 120046012 YPYGDHOWHNLVNZ-UHFFFAOYSA-N 293.794 3.549 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)CCCSCC#N 120844460 FDHWPVWDEMOGOW-KGLIPLIRSA-N 254.443 3.534 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(C#N)cc2)s1 121054886 BUPLZODTHXORPQ-NSHDSACASA-N 299.399 3.681 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1c[nH]c2cc(F)ccc12 121175373 GFJYZQDFRUDFTJ-QPJJXVBHSA-N 281.286 3.909 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1cc(Cl)ccc1C#N 122776818 DRFLWLXSZUFHTN-ZWNOBZJWSA-N 264.756 3.581 30 20 CHED CC[C@H](C#N)NC(=O)c1sccc1-c1ccc(C)cc1 123794450 IEUPYZYEMFYQTP-CYBMUJFWSA-N 284.384 3.756 30 20 CHED C[C@H](C#N)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 125220900 NSKWLVQTADLXFN-GFCCVEGCSA-N 290.794 3.570 30 20 CHED N#CCC[C@@H](C#N)COc1ccc(Cl)cc1Cl 126087413 TXCYUCFDASWHPX-VIFPVBQESA-N 269.131 3.816 30 20 CHED CCCCCCCC(=O)Nc1nnc(C(F)F)s1 127050790 OTOBUYYKAZVAIT-UHFFFAOYSA-N 277.340 3.775 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccccc1Cl 127228458 CVPDWNNBBXXWEX-UHFFFAOYSA-N 277.795 3.767 30 20 CHED CCCCCCCCC(=O)Nc1ncc(C(=O)OC)s1 127864595 GHSUXXYKESRBDB-UHFFFAOYSA-N 298.408 3.619 30 20 CHED CC(C)OC1CCC(Nc2c(F)cc(C#N)cc2F)CC1 130109151 BUAQXOGVHZANQZ-UHFFFAOYSA-N 294.345 3.985 30 20 CHED C=CCC[C@H](C)Nc1ccc(-c2nnco2)cc1C 130650764 VBICQOHEBWFINK-LBPRGKRZSA-N 257.337 3.812 30 20 CHED CCCN(CCC)C(=O)N[C@@H](CCC#N)c1ccccc1 151291624 HKNBHYNEWNOHIG-INIZCTEOSA-N 287.407 3.863 30 20 CHED N#Cc1cccc(NC(=O)NC2(c3cccc(F)c3)CC2)c1 153272407 YXJKYWCHPDKKGV-UHFFFAOYSA-N 295.317 3.508 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(Cl)nc1C 154027809 FLBWRKWRXFQIMY-UHFFFAOYSA-N 280.799 3.862 30 20 CHED N#CCCn1ccc(N[C@H]2CCc3c(Cl)cccc32)n1 154787583 ZMFNLCBMTYEQNH-AWEZNQCLSA-N 286.766 3.550 30 20 CHED C#CCCCCNC(=O)Nc1ccc2nc(C3CC3)oc2c1 155048626 ATJRTKGMOZUTPH-UHFFFAOYSA-N 297.358 3.630 30 20 CHED C#CCCCCNC(=O)c1cccc(-c2nc(C)cs2)c1 156046987 YFDJAURPHZSTMY-UHFFFAOYSA-N 298.411 3.652 30 20 CHED CCn1c(NCc2ccc(C#N)cc2)nc2ccccc21 158888008 YWNYHTZNEOEQTL-UHFFFAOYSA-N 276.343 3.540 30 20 CHED CC[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 159730686 CHWKPWCWSIPRQQ-JTQLQIEISA-N 268.282 3.813 30 20 CHED C=C(C)CSc1nnc(-c2cccc(Cl)c2)n1C 159740249 HYQDXGQQCUIGRE-UHFFFAOYSA-N 279.796 3.804 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@@H]1CCc2ccccc2C1 162275301 ZDXCSBDMWRRKAA-WMLDXEAASA-N 292.382 3.947 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H]1CCC[C@H](C)C1 165455705 IZNHFRBDTMXJGP-SUMWQHHRSA-N 256.393 3.877 30 20 CHED N#Cc1ccsc1NC(=O)/C=C/Sc1ccccc1 171058131 IATBZTCWVLRXGS-VQHVLOKHSA-N 286.381 3.864 30 20 CHED Cc1c(C(=O)NCCCCC#N)oc2ccc(Cl)cc12 171505851 BWJOBFUPWBNGMF-UHFFFAOYSA-N 290.750 3.818 30 20 CHED Cc1cc(C)cc(C(=O)N[C@H](C#N)c2ccccc2Cl)c1 172027786 BQHKSSOXAHDDJU-MRXNPFEDSA-N 298.773 3.952 30 20 CHED C=CCCCC(=O)N(Cc1ccc(F)cc1F)C1CC1 175238848 RJUMAVVQWRQBBS-UHFFFAOYSA-N 279.330 3.812 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2)o1 176032416 CUNHYFWPDVYANE-AWEZNQCLSA-N 285.299 3.777 30 20 CHED C=CCCCC(=O)NCc1ccc(C)cc1SC 176920751 UADAILABLWVTLJ-UHFFFAOYSA-N 263.406 3.689 30 20 CHED C#CCCCNC(=O)[C@H](c1cccc(Cl)c1)C(C)C 176940169 VEPYVIPGKJCMKL-HNNXBMFYSA-N 277.795 3.609 30 20 CHED C#CCCSc1nn(-c2ccccc2)c(=S)s1 178161763 MFRMMCVXLZGHPD-UHFFFAOYSA-N 278.427 3.779 30 20 CHED N#Cc1ccsc1NC(=O)c1cnc2ccc(F)cc2c1 179883595 WNNPDCYVOSKTQO-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C=C(C)CN(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 180467064 LZYVOZWUCCJOCX-CYBMUJFWSA-N 279.811 3.943 30 20 CHED C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)c1cccc(C#N)c1 181696355 MWKZQVIEWVJLHM-KBPBESRZSA-N 280.371 3.546 30 20 CHED CCC(=O)CCCSc1nc2c(cc1C#N)CCCC2 183863880 QWBOQRCZVJVTJM-UHFFFAOYSA-N 288.416 3.683 30 20 CHED Cc1cccc2c(CCC(=O)OCC3(C#N)CCC3)c[nH]c12 183914303 RYEUBXPMSVVUBZ-UHFFFAOYSA-N 296.370 3.646 30 20 CHED CCc1nc([C@@H](C)NCc2cc(C#N)ccc2F)cs1 184692108 VLPRGPMGFDWRDR-SNVBAGLBSA-N 289.379 3.567 30 20 CHED C[C@H](CN(C)[C@H](C)CC#N)c1cccc(Cl)c1 187181115 SGQZTTWEFGDZIR-VXGBXAGGSA-N 250.773 3.677 30 20 CHED C#CCCCCC(=O)NC[C@H](c1ccccc1)C(F)(F)F 187686696 BGALIRZXGXJUFY-CQSZACIVSA-N 297.320 3.642 30 20 CHED C=CCC[C@@H](C(=O)N(C)Cc1ccncc1)c1ccccc1 187765445 UEFBVQMUPYXEKI-GOSISDBHSA-N 294.398 3.790 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(OCC)cc1C 188325328 KJUVJZBLRCYFQT-QGZVFWFLSA-N 291.391 3.561 30 20 CHED CC#CCNC(=O)Nc1ccc(C(F)(F)F)cc1Cl 189969171 HNWJSNZCSKHCFP-UHFFFAOYSA-N 290.672 3.504 30 20 CHED C=C[C@@](C)(CC)C(=O)N(Cc1cccc(F)c1)C1CC1 191827077 MDGVCSYRXPPZOV-KRWDZBQOSA-N 275.367 3.919 30 20 CHED Cc1nc2ccccc2cc1C(=O)Nc1ccccc1C#N 192472877 YXZYYUVEVMZBCW-UHFFFAOYSA-N 287.322 3.667 30 20 CHED O=C1/C(=C\c2ccc(O)cc2)CSc2ccc(F)cc21 192753071 NFKIAUJLXOEUHY-XFFZJAGNSA-N 286.327 3.903 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/C[C@H]1CCCOC1 193680205 QLAOWSRSUJMFAC-UHDDOIDHSA-N 288.174 3.545 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)(C)C#N 193699527 AIIZERKHRBEIBF-UHFFFAOYSA-N 285.174 3.502 30 20 CHED N#Cc1cc(NC[C@@H]2CCC3(CCCCC3)O2)ccc1F 228036778 XAGXZKFDBSKPRX-HNNXBMFYSA-N 288.366 3.991 30 20 CHED CCOC[C@@H](Nc1ccc(C#N)c(Cl)c1)C(C)C 233763384 CVKONVGQZWMMMS-CQSZACIVSA-N 266.772 3.685 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2C[C@]23CCCc2ccccc23)C1 246425480 NMKGMKSTLUONOB-UJNZZBMASA-N 295.382 3.516 30 20 CHED C[C@@H]1CCC[C@H](Nc2ccccc2O[C@H](C)C#N)C1 248417543 RKQGBLDJAAKNFT-MCIONIFRSA-N 258.365 3.968 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@H](c3ccccc3)C2)C1 248825740 LXSYMGSCFHCDBE-SPUZQDLCSA-N 284.403 3.579 30 20 CHED CC/C(=C/C(=O)N[C@H](C#N)CC)c1cccc(Cl)c1 254976692 MGGYATWTGFCNDP-FPAJZGIOSA-N 276.767 3.552 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccnc1Cl)C2 255003127 ASPZNKQAALNLIE-XYOKQWHBSA-N 285.730 3.566 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccnc2Cl)cc1 255358173 OQGPXZIQGPAVQF-HJWRWDBZSA-N 257.720 3.940 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccco1 255524830 GPASSABHCFKWQF-YVMONPNESA-N 264.227 3.777 30 20 CHED Cc1noc(C)c1C/N=C\c1c(O)ccc2ccccc12 255619067 PFYYDIIKDPHNBG-ZDLGFXPLSA-N 280.327 3.769 30 20 CHED C=CCCC(=O)Nc1ccccc1OC1CCCC1 263688284 QNJKAPBXVWQIAE-UHFFFAOYSA-N 259.349 3.913 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C 274388177 ZYUMCCIUVBJYMH-DAYGRLMNSA-N 284.403 3.543 30 20 CHED C[C@H](CCc1ccc(O)cc1)Nc1cccc(OCC#N)c1 274388629 UWKBNXSUQZGTNE-CQSZACIVSA-N 296.370 3.728 30 20 CHED C=CC[C@@H](C(=O)N1CCc2ccsc2C1)c1ccccc1 275004626 DNHXTRIWNCRHHA-MRXNPFEDSA-N 297.423 3.993 30 20 CHED CC(=O)[C@H](C)SCc1cc(C#N)ccc1Br 276861108 GKYDEOHWYGURSK-VIFPVBQESA-N 298.205 3.531 30 20 CHED C=CCC[C@H](C)Nc1cccc(NC(=O)N(C)C)c1C 279719434 ULNCQAMROSMHRX-LBPRGKRZSA-N 275.396 3.855 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 285394092 WWBJBOSQDSUJHQ-XJKSGUPXSA-N 255.365 3.768 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 285949670 JZODTXOMEFOTHO-QGZVFWFLSA-N 296.374 3.709 30 20 CHED C=CCC[C@H](NCc1cccc(O)c1)c1ccco1 286183680 QWWCHJBRAOYIIF-HNNXBMFYSA-N 257.333 3.782 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 286772923 LRNNHMNFNZADRB-FUHWJXTLSA-N 284.403 3.853 30 20 CHED C#CCC(C)(C)c1nc([C@@H](C)c2cccs2)no1 289201394 XMPVXOKFMHHNMF-JTQLQIEISA-N 260.362 3.584 30 20 CHED CCOCCCCNc1c(C#N)cnc2ccc(C)cc12 291628302 LEHCFUVORWMKLL-UHFFFAOYSA-N 283.375 3.644 30 20 CHED CCCCN(Cc1ccccc1O)[C@@H]1CC[C@@H](C#N)C1 294248392 UKGSVPBVUGVDAX-GDBMZVCRSA-N 272.392 3.687 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(CN(C)C)c(Cl)c1 295087972 DYNYCBGIAAVJLX-UHFFFAOYSA-N 280.799 3.552 30 20 CHED C#CCC1(c2nc([C@H](CCC)OC)no2)CCCCC1 296235176 AQDKPHOBIMBLLV-ZDUSSCGKSA-N 276.380 3.782 30 20 CHED CC#CCN(C)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 296490370 BJMLTHIYJZSNGK-UHFFFAOYSA-N 299.374 3.612 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)C1CCCCC1 298817228 RECWRPQJJQNFBM-UHFFFAOYSA-N 270.376 3.547 30 20 CHED CC[C@@]1(C)CCCN(c2snc(Cl)c2C#N)C1 301484395 YMXQRSIEVDLKIB-LBPRGKRZSA-N 269.801 3.685 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc23)[C@@H]1C 301502376 XSZSGQDQQLGRLR-WDEREUQCSA-N 285.778 3.995 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2c2ccc(C#N)cn2)c1 301675026 PVXDWBGEFBJQRW-QGZVFWFLSA-N 277.371 3.912 30 20 CHED N#Cc1nc(NCC2(C3CC3)CCC2)ccc1Cl 301767817 BZMLFIDLOJRHTM-UHFFFAOYSA-N 261.756 3.599 30 20 CHED CC[C@@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 301846232 UDQHHKLAXWJJMI-CYBMUJFWSA-N 272.739 3.565 30 20 CHED C=C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 302152262 CGQBYIXJWBTRPZ-GFCCVEGCSA-N 299.330 3.555 30 20 CHED CCC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccccn1 308052745 HQFJFDQASIVXLP-KBPBESRZSA-N 258.365 3.720 30 20 CHED CC[C@@H]1CCCN1c1cc(Br)c(C#N)cc1F 310243617 UHTHLCLYANBBGJ-SNVBAGLBSA-N 297.171 3.839 30 20 CHED C[C@H](NC(=O)c1cccc2cc[nH]c12)c1ccc(C#N)cc1 316582743 NGLUMINKSPMGDU-LBPRGKRZSA-N 289.338 3.531 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2CC[C@@H](C)C[C@@H]2C)C1 328893363 UZYGBWOWYGHBPD-MOLYVOAJSA-N 266.385 3.523 30 20 CHED O/C(C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)=N/CC1CC1 329124258 XNDOVGTVZJFJJF-SOUVJXGZSA-N 292.423 3.916 30 20 CHED OC(=Nc1ncc(C2CC2)[nH]1)C1CCC(F)(F)CC1 329293882 JKRNXIHVWUDFSK-UHFFFAOYSA-N 269.295 3.701 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N[C@H]3CCC[C@H]3C#N)oc12 331752007 GVQKCAHINKJWLH-KBPBESRZSA-N 296.370 3.780 30 20 CHED N#C[C@H]1CC[C@@H](N2CCCc3c([nH]c4c(F)cccc34)C2)C1 334342721 QFVGPHUYEVUIQG-QWHCGFSZSA-N 297.377 3.747 30 20 CHED Cc1cccc2cc(C(=O)N(C)CC(C)(C)C#N)sc12 334477574 QKUYYVANQSQDFM-UHFFFAOYSA-N 286.400 3.832 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1S[C@@H]1CCOC1 335358347 NZVMIDDVUOGURR-SNVBAGLBSA-N 290.775 3.641 30 20 CHED C=CC1CCN(C(=O)Nc2c(F)cccc2Cl)CC1 335409855 MVNJKNUQQLBJQQ-UHFFFAOYSA-N 282.746 3.909 30 20 CHED CC1(C)CN(c2cccc(C#N)n2)[C@@H]1c1cccs1 335793233 UZHSIKXPAVZJEW-CQSZACIVSA-N 269.373 3.602 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C)c1ccccc1 337109712 VAOQKPHNJOZNIK-YQFWSFKMSA-N 287.403 3.624 30 20 CHED Cc1ccn(-c2ccc(NCc3ccc(C#N)cc3)cc2)n1 340623687 UCFDKDAZDBVDCY-UHFFFAOYSA-N 288.354 3.665 30 20 CHED N#Cc1cc(Cl)ccc1NCc1nccc(C(F)F)n1 340966936 JHQWHDBEUHSWQZ-UHFFFAOYSA-N 294.692 3.551 30 20 CHED CC(C)c1ncc(CNCC(C)(C)CCC#N)s1 342273574 GJGOVWHOQKMLSV-UHFFFAOYSA-N 265.426 3.686 30 20 CHED N#CCc1ccc(COc2ccc(-n3cccn3)cc2)cc1 342486707 XVFIOWTWFSXNKZ-UHFFFAOYSA-N 289.338 3.517 30 20 CHED COc1cccc([C@H]2C[C@@H](C)CN2c2cccc(C#N)n2)c1 343427576 GAGVFRTZIZWQGA-CXAGYDPISA-N 293.370 3.549 30 20 CHED C=CCn1cccc1-c1nc([C@H](C)c2cccs2)no1 346605020 LCZUCSRYUVUCMU-LLVKDONJSA-N 285.372 3.937 30 20 CHED Cc1cc(CN2CCCC3(CCC3)C2)ccc1C#N 348181192 NATSTEWDRHMPGN-UHFFFAOYSA-N 254.377 3.633 30 20 CHED COc1ncc([C@@H](C)NCC(C)(C)CCC#N)cc1Cl 348221899 WJBQVBFLMZLBAZ-LLVKDONJSA-N 295.814 3.724 30 20 CHED C=CCN(Cc1cccc(OCC)n1)Cc1cccs1 349542202 LMQQGAWQGHYMLJ-UHFFFAOYSA-N 288.416 3.730 30 20 CHED CN(Cc1ccc(C#N)s1)Cc1ccc(F)cc1F 349804745 RTLOYNJNFROQFH-UHFFFAOYSA-N 278.327 3.530 30 20 CHED C=C1CCN(Cc2cc(Cl)c(OC)c(OC)c2)CC1 353330941 SNWCSDGTSNZCCI-UHFFFAOYSA-N 281.783 3.509 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCc3sc(Cl)cc32)C1 353576036 MJZCNEGBNWKEBS-WCABBAIRSA-N 266.797 3.671 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ocnc1C 353726612 VHECQXWCVBTEKZ-UHFFFAOYSA-N 296.779 3.526 30 20 CHED Cc1occc1-c1noc([C@H](C)Oc2ccc(C#N)cc2)n1 354023982 JARJRZSGTPVMFU-NSHDSACASA-N 295.298 3.650 30 20 CHED CCc1cnc(NC(=O)C[C@@H](CC#N)c2ccccc2)s1 356220806 MDFYLDCFNZXKKN-CYBMUJFWSA-N 299.399 3.732 30 20 CHED C=CCCC1(C(=O)Nc2ccc(O)cc2OCCC)CC1 357111292 SALUSXSENNYCTD-UHFFFAOYSA-N 289.375 3.866 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc3c[nH]nc23)CCCC1(C)C 357346933 NNOBYPAHQLUVBI-OAHLLOKOSA-N 297.402 3.770 30 20 CHED Cc1c(C(=O)Nc2sccc2C#N)cnc2ccccc12 361173579 JFTLPTOCMJRZGR-UHFFFAOYSA-N 293.351 3.729 30 20 CHED COc1ccccc1N(C(=O)c1cccc(C#N)c1)C(C)C 362172145 AANHWCNVFRBUBX-UHFFFAOYSA-N 294.354 3.622 30 20 CHED C#C[C@@H](C)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 368046705 ZPYBQTDHYJQJMZ-VPOLOUISSA-N 253.798 3.505 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 381086516 CEXARNOCQQHPIU-HZPDHXFCSA-N 254.377 3.569 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2CCOc2ccc(C#N)cc2)C1 394156980 WVUKSGPWXYPIFW-QFBILLFUSA-N 298.430 3.838 30 20 CHED CCCCCCCCN1C[C@H]2CC[C@H]1[C@H](C(=O)O)C2 394686302 KZPTYQPCHDEBGX-ZNMIVQPWSA-N 267.413 3.532 30 20 CHED N#CCc1ccc(CN2CCC3(CCC3)CC2)cc1 399220574 BRUZRKDLPYZQRW-UHFFFAOYSA-N 254.377 3.519 30 20 CHED N#CCCC1CCN(C[C@@H]2CCCCC2(F)F)CC1 399354948 GLNTWGHIBPQHNK-AWEZNQCLSA-N 270.367 3.828 30 20 CHED CC[C@@H]1[C@@H](C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 409732763 VSXPSTCEVUFXFZ-JOYOIKCWSA-N 283.297 3.597 30 20 CHED C=CCNc1ccc(F)cc1OCCC(F)(F)F 409860035 RWWXSNXJBDZYBB-UHFFFAOYSA-N 263.234 3.755 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 410181206 PPQHXDKDWCNUNL-OAHLLOKOSA-N 287.403 3.778 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cnc(C)nc1C 414299041 JEZYIWWBLCWZTG-CRAIPNDOSA-N 295.430 3.931 30 20 CHED N#CC1(CCOc2ccccc2[N+](=O)[O-])CCCCC1 418792937 OAOCIPUAXWUYMC-UHFFFAOYSA-N 274.320 3.838 30 20 CHED COc1ccc(CSCC2(C#N)CCC2)cc1F 419343898 HAPXTMXYIDCJIW-UHFFFAOYSA-N 265.353 3.761 30 20 CHED N#Cc1cccc2c1CCN2CCCCC(F)(F)F 420976254 SJTHDHJXNMLCIT-UHFFFAOYSA-N 268.282 3.653 30 20 CHED C=C(C)[C@H](NC(=O)[C@@]12CCC[C@@H]1C2)c1ccc(F)c(F)c1 421532165 PQMNPAUAPIMREP-ISTRZQFTSA-N 291.341 3.888 30 20 CHED C=CCC1(c2nc([C@H]3CCCC[C@@H]3C)no2)CCOCC1 424348585 PGICYJWKOPEFBZ-KBPBESRZSA-N 290.407 3.988 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCn1ccc2ccccc21 424546886 RDNRTQNQORVUAY-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 425147657 MGKKIIXTXLNNJW-DLBZAZTESA-N 293.451 3.834 30 20 CHED CC[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CCS1 426446259 VKARTRBSLGBYPO-OAHLLOKOSA-N 279.836 3.519 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@H](C)Cc1cccs1 432084372 FYROYVOCCUBRGG-CYBMUJFWSA-N 294.464 3.828 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)c1ccc(F)cc1 432291358 JKFFWEBAGJUCIE-UHFFFAOYSA-N 264.344 3.574 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1[nH]ccc1C 436074546 LGBAIKVDTNXPRW-UHFFFAOYSA-N 294.807 3.866 30 20 CHED C=CC[C@@H](C)NC(=O)c1ncsc1-c1ccccc1 438002752 QBCWPQXEYQTMGO-LLVKDONJSA-N 272.373 3.505 30 20 CHED N#Cc1ccc(COc2ccc3nccnc3c2)c(Cl)c1 438908698 ASUXOVGWZJEPRH-UHFFFAOYSA-N 295.729 3.734 30 20 CHED N#Cc1ccc(CN(Cc2ccncc2)C2CC2)c(Cl)c1 439428935 GXWDUTSIHSRREF-UHFFFAOYSA-N 297.789 3.771 30 20 CHED CC(C)n1cnnc1S[C@@H](C)c1cccc(C#N)c1 442901606 KYGWSZGXFSYRPO-NSHDSACASA-N 272.377 3.584 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)sc1Cl 449549393 XPBCTRCLOODNIY-ZJUUUORDSA-N 292.231 3.878 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(CCC(F)(F)F)c1 450074352 KZFJUUQZWVSTJB-YGRLFVJLSA-N 296.292 3.670 30 20 CHED C=CCC1(C(=O)NCc2cc(Cl)ccn2)CCCCC1 450336632 RVTRNRWYUMTVJH-UHFFFAOYSA-N 292.810 3.878 30 20 CHED C=CCn1c(C)nnc1SCCc1ccc(Cl)cc1 450651364 PGEZHZKWCNJATI-UHFFFAOYSA-N 293.823 3.761 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCC[C@H]2CCOC2)c1 450889483 QZCKLXDGDBZOQM-NSHDSACASA-N 298.308 3.806 30 20 CHED N#CC1(COc2ccc(F)c(Br)c2)CCC1 450901745 IANGMTUPPIXLAS-UHFFFAOYSA-N 284.128 3.661 30 20 CHED CCC[C@@H](NCCc1cccc(C#N)c1)C1CCC1 453230380 XFQGROLIENYTMN-QGZVFWFLSA-N 256.393 3.659 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1cc2ccccc2o1 455369051 PFVOFTMKISTEGS-UHFFFAOYSA-N 286.375 3.786 30 20 CHED CCOc1ccc(Cl)c(NC(=O)[C@@](C)(C#N)CC)c1 456037384 CICRIWOCPIKNMB-CQSZACIVSA-N 280.755 3.617 30 20 CHED C=CCC1(CNC(=O)c2sccc2OC)CCCC1 456484181 IPPHEIDQLMLXAT-UHFFFAOYSA-N 279.405 3.623 30 20 CHED C=C(CC)CNC(=O)C[C@@H](C)c1ccc(F)cc1F 456810487 GBEUYSNYGHEIQV-LLVKDONJSA-N 267.319 3.541 30 20 CHED CC(C)(CC#N)CNC(=O)c1cc2cc(F)ccc2s1 457992852 UTOOEBPMKSXQPN-UHFFFAOYSA-N 290.363 3.710 30 20 CHED C=C(CNC(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1)c1ccccc1 458757665 KVCKVGRBMKSJOT-ROUUACIJSA-N 296.414 3.530 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462197863 VVXVUFPTRDKARY-ZBFHGGJFSA-N 284.403 3.556 30 20 CHED C[C@H](C(=O)N[C@H]1CCCCC1(C)C)c1cccc(C#N)c1 462198464 JCNGWGYQBMRSSP-BBRMVZONSA-N 284.403 3.747 30 20 CHED CCC[C@]1(C)CCCN(c2nc(C)cc(C)c2C#N)C1 463070332 ZJDGBQSDSMTYPJ-QGZVFWFLSA-N 271.408 3.977 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 463963942 LGMXNMIKNNAEHP-BXKDBHETSA-N 296.292 3.952 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)c1ccc2ccccc2c1 465116584 WXIXQSYTFHKTLB-QWHCGFSZSA-N 253.345 3.634 30 20 CHED C=CCCN(C)c1nnc(Cc2ccc(Cl)cc2)s1 466393876 XCARAWXSDLPJSC-UHFFFAOYSA-N 293.823 3.795 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C1CC1)[C@H](C)c1ccco1 466394237 CKEUWOGKTWSNAW-CHWSQXEVSA-N 276.380 3.869 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)nc2ccc(OC)cc12 466534234 NXXHKNILYFHIMR-ZDUSSCGKSA-N 298.386 3.636 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[C@H]1C 466699779 LODRSCQHBTYUHU-NVXWUHKLSA-N 286.419 3.820 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](C)Oc1ccccc1Cl 467990062 ZGHXCCGPQVUWGG-MLGOLLRUSA-N 295.810 3.826 30 20 CHED CC#CCCNC(=O)N1CCCC2(CCCCC2)CC1 468747571 KZKFATJWJDDDTA-UHFFFAOYSA-N 276.424 3.546 30 20 CHED C[C@H](CCC1CC1)N[C@H](C)c1ccc(C#N)c(F)c1 469808015 JPDCSDXZRSWGAT-VXGBXAGGSA-N 260.356 3.927 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(C)cn1 470919309 POJCHHLXULRFKX-UHFFFAOYSA-N 266.388 3.968 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 471674043 NZECTZYCGIEFKI-NWDGAFQWSA-N 297.320 3.680 30 20 CHED C=CCCCCNC(=O)[C@H]1SCCc2sccc21 471689455 SRMNHASCPSWKGT-ZDUSSCGKSA-N 281.446 3.551 30 20 CHED C=CCCCCNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 472841834 QECORSCDCHUSDI-DOTOQJQBSA-N 286.419 3.930 30 20 CHED CC(C)CN(C(=O)[C@H](C)C1CC1)c1ccc(C#N)cc1 477181459 WFWQPTUVJRDULA-CYBMUJFWSA-N 270.376 3.593 30 20 CHED C=CCCCC(=O)NCCCSc1ccccc1 479502471 MLQGGGMTHHMUCZ-UHFFFAOYSA-N 263.406 3.641 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3cc(C)ccc32)CCC1 479663381 JZSYWZDOHPEAIG-INIZCTEOSA-N 269.388 3.845 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2ncsc2c1 487889104 SBRMLLBJLDJUEC-LBPRGKRZSA-N 287.388 3.869 30 20 CHED Cc1ccc2ncc(C#N)c(N3CC[C@H](C4CC4)C3)c2c1 488102326 WGENNHDCTJVXSD-AWEZNQCLSA-N 277.371 3.651 30 20 CHED N#Cc1ccc(NCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc1Cl 488510758 BWOHPZXJWGWIBP-RBOXIYTFSA-N 290.794 3.565 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cccc(OC(C)C)c1 489734485 ATPOFDFVQYIWRB-UHFFFAOYSA-N 289.419 3.735 30 20 CHED C=CCn1cccc1C(=O)N(CC1CC1)C1CCCCC1 490004867 XHWXVHWIQSQCFH-UHFFFAOYSA-N 286.419 3.859 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)SCCCC 490212199 JVFGAENDHCEQMW-AWEZNQCLSA-N 295.448 3.759 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)c1nc(C)cs1 494889844 CUUMDLRTZOKQHD-OLZOCXBDSA-N 293.436 3.653 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1sc(C)c(C)c1C#N 502499060 FBAHWNYKDHACJS-BDAKNGLRSA-N 264.394 3.857 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC(C)(C)C2)cc1OC 507746634 DWLYJTFYZAUKBI-OAHLLOKOSA-N 289.419 3.928 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)c1ccccc1C 509148076 YSQWRTOAJMBFSC-UHFFFAOYSA-N 278.355 3.842 30 20 CHED C=C(C)CCN1CC[C@H](OCCCc2ccccc2)C1 509392050 GIMDWPIIBKGIPM-SFHVURJKSA-N 273.420 3.676 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(C#N)cc1[N+](=O)[O-] 516671093 XJSYSNJMRSLGRH-HNNXBMFYSA-N 293.326 3.874 30 20 CHED C=CCOCCN[C@H](C)C1(c2ccccc2)CCCC1 519748558 MULNEKMPJDFRBR-MRXNPFEDSA-N 273.420 3.679 30 20 CHED N#CCc1ccc(NC(=O)N2CCCC3(CCCC3)C2)cc1 526088570 JZPVHOUFBJQVQT-UHFFFAOYSA-N 297.402 3.941 30 20 CHED CC(C)OC1CCN(Cc2ccc(C#N)cc2Cl)CC1 527384886 SHHMRIKRQZTBHP-UHFFFAOYSA-N 292.810 3.601 30 20 CHED CCCN(C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1F 528634620 KZEYVPFFLDLMDR-GOSISDBHSA-N 298.361 3.647 30 20 CHED C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@H]1C1CC1 528912497 IUIITOCXWWMRAM-PVRXDPTQSA-N 296.395 3.765 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1-c1ncco1 532224088 VVSHLAQGYXLCDI-UHFFFAOYSA-N 295.342 3.528 30 20 CHED C=C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 535151960 BLUPKGXAECBQIL-OWCLPIDISA-N 261.409 3.772 30 20 CHED C=CCNC(=O)[C@H](C)SCc1ccc(CCC)cc1 537600438 ZJAZNPLPYVBYGL-ZDUSSCGKSA-N 277.433 3.563 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@@H](C)c1ccccc1 537722853 PLUPBQNIMCMTCN-CYBMUJFWSA-N 293.370 3.732 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cccc(Cl)c1 538289599 HYAJNDXTHLEINA-GFCCVEGCSA-N 280.799 3.884 30 20 CHED C[C@@H](NC[C@@H]1CC=CCC1)c1ccc(C#N)c(F)c1 539610279 TXVOHRNFFHZCGI-CHWSQXEVSA-N 258.340 3.704 30 20 CHED Cc1ccc(CCCN(C#N)c2ccc(F)c(C#N)c2)cc1 541286332 MDJKHCKHPDTRFC-UHFFFAOYSA-N 293.345 3.926 30 20 CHED COc1cccc2ncnc(Sc3cccc(C#N)c3)c12 541851762 JZZLKUXCRDHIBU-UHFFFAOYSA-N 293.351 3.661 30 20 CHED CCc1cccc(OCCn2nc(C#N)c3ccccc32)c1 542337960 ZBIHMUHOHMTGDC-UHFFFAOYSA-N 291.354 3.549 30 20 CHED C=CCSCCNC[C@H](C)Cc1ccc(OC)c(F)c1 547004479 YGBRNPOHMBTEDC-CYBMUJFWSA-N 297.439 3.522 30 20 CHED C=CCCN1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 548731650 YGCWLSDZNMKQAM-IUODEOHRSA-N 265.784 3.678 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(OC)cc2C)n1 551110401 VEKUXQIBZZLIGU-UHFFFAOYSA-N 272.348 3.907 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccoc1 553004177 MVIKLFAJUQNFKL-YVEFUNNKSA-N 266.344 3.879 30 20 CHED N#Cc1cccc(NCC(F)(F)c2ccc(Cl)cc2)n1 553390505 FUFWPVNBKYRWOB-UHFFFAOYSA-N 293.704 3.811 30 20 CHED CC(C)(C)CCCCC(=O)NCC#Cc1cccc(F)c1 553555830 QIURXWJIYOUBIC-UHFFFAOYSA-N 289.394 3.900 30 20 CHED C=C(C)CNCc1cnc(C2CCCCC2)s1 556837464 XRZUEPWJRIZZPW-UHFFFAOYSA-N 250.411 3.857 30 20 CHED C=CCCCCCN(C)S(=O)(=O)Cc1ccc(C)cc1 558063779 HHEKSXGWEJJJBE-UHFFFAOYSA-N 295.448 3.503 30 20 CHED CSc1ccc(C)c(NC(=O)c2ncc(C#N)cc2C)c1 560358681 KWTJIKKSFABOEN-UHFFFAOYSA-N 297.383 3.544 30 20 CHED C=CCn1c(-c2sccc2C)nnc1N(CC)C(C)C 565113575 DNLSBXAQCJJABI-UHFFFAOYSA-N 290.436 3.736 30 20 CHED CN(C(=O)[C@@H]1C[C@H]1C1CCC1)c1cc(Cl)ccc1C#N 566071588 QKPPXQQZGHMOFW-UONOGXRCSA-N 288.778 3.611 30 20 CHED CC(C)(C)[C@@H](NCc1ccc(C#N)cn1)c1ccc(F)cc1 567824670 UXDGFEUJJZSOMY-KRWDZBQOSA-N 297.377 3.969 30 20 CHED N#CC1(CNCc2ccc(-c3ccccc3Cl)o2)CC1 577576515 MFFVLWIDZUNHJB-UHFFFAOYSA-N 286.762 3.993 30 20 CHED CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NCC#N 578404254 OEASGOGEROFBEA-ZDUSSCGKSA-N 284.325 3.776 30 20 CHED CC[C@@H](Cc1ccccc1-c1ccsc1C#N)C(=O)O 579496051 VYQRBUVXRONGKL-NSHDSACASA-N 285.368 3.940 30 20 CHED CCN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@@H](C)C(C)C 580961024 HPUKFDGQQRJYQR-DOTOQJQBSA-N 286.419 3.652 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(N2CCCC2)cn1 583339920 MGEDTBKROZQYBI-CQSZACIVSA-N 259.397 3.839 30 20 CHED CCCCc1noc([C@@H](C)Sc2cccnc2C#N)n1 584123970 OURAWRAPRHFADE-SNVBAGLBSA-N 288.376 3.532 30 20 CHED Cc1cc2cc(NC(=O)CCCCCC#N)ccc2[nH]1 588150982 QJAOASKDERBDMI-UHFFFAOYSA-N 269.348 3.889 30 20 CHED Cc1cc(C)c(CCNC(=O)CCCCCC#N)c(C)c1 588151907 RCRNTKCVEFCSGR-UHFFFAOYSA-N 286.419 3.745 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1C(=O)CCCCCC#N 588654479 VGTOQNIJXPTZDR-ZDUSSCGKSA-N 288.366 3.745 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C2CC2)C1 588977777 IVPKPXQKFKKROK-DYVFJYSZSA-N 254.377 3.741 30 20 CHED CCc1c(C(=O)N2CCC[C@](C)(C#N)C2)oc2ccccc12 590705850 NWNQKBYLCCTTCH-GOSISDBHSA-N 296.370 3.761 30 20 CHED C[C@]1(C(=O)NCc2ccc(C#N)c(Cl)c2)CC=CCC1 590759550 WQEQIPUCGCUHEC-INIZCTEOSA-N 288.778 3.574 30 20 CHED Cc1cccc(CC2CN(Cc3ccc(C#N)s3)C2)c1 590967180 CWZWNBJUIUDHIB-UHFFFAOYSA-N 282.412 3.603 30 20 CHED N#CCC[C@@H](C#N)CN[C@H]1C[C@H](c2ccccc2Cl)C1 591374557 ZZVALJBKESKXSN-IHRRRGAJSA-N 287.794 3.619 30 20 CHED N#Cc1c(N2CC[C@H]2c2cccc(F)c2)ncc2c1CCC2 591820961 QUFICUUMIXUUSQ-KRWDZBQOSA-N 293.345 3.532 30 20 CHED C[C@H]1CC[C@@H](C(=O)N(CC#N)c2ccc(Cl)cc2)C1 592651556 IOSKUYHIPLVHGM-NWDGAFQWSA-N 276.767 3.633 30 20 CHED CC[C@H](C#N)C(=O)N(C)Cc1c(Cl)cccc1Cl 593399989 MLFIBRSEOVLQGM-SECBINFHSA-N 285.174 3.502 30 20 CHED COC[C@H](CC(C)(C)C)NC1(c2cccc(C#N)c2)CC1 593707571 HLQLQJQKRBXPJN-INIZCTEOSA-N 286.419 3.588 30 20 CHED C=CCCSCCNCc1cnc(-c2ccco2)s1 594960328 OGCHQOSIQSAXQG-UHFFFAOYSA-N 294.445 3.802 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1cccs1 595056105 QZFVSYNVSNFBKK-OAHLLOKOSA-N 270.401 3.903 30 20 CHED C=CCN(CCC#N)c1ncnc2ccc(C(C)C)cc12 596237428 GSESPDSTVNHXPI-UHFFFAOYSA-N 280.375 3.659 30 20 CHED CCS[C@H](C)c1noc(CSCC2(CC#N)CC2)n1 596351743 YNDAMDZKMYHREB-SNVBAGLBSA-N 297.449 3.811 30 20 CHED Cc1cc(CSCc2cccc(C#N)c2F)nc(C)n1 596377177 XMVUIAPJHCAXBG-UHFFFAOYSA-N 287.363 3.538 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCSc2ccccc21 598978419 TUVVBIIBUXMCKH-ZDUSSCGKSA-N 288.416 3.670 30 20 CHED C[C@@H](CC#N)NCC/C=C/c1ccc(Br)cc1 600603631 NUSPVKPKVWHHQU-KMOQFTEPSA-N 293.208 3.744 30 20 CHED Cc1cc(F)c(C(F)(F)F)cc1NC(=O)CCCC#N 601594345 ATAMJWZAEYOEFF-UHFFFAOYSA-N 288.244 3.785 30 20 CHED Cc1cc(C)cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 603934609 PMDMAVOAUPWHEM-UHFFFAOYSA-N 295.386 3.984 30 20 CHED C=CCCCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 605150211 KRYBMHDUMUGGOZ-KRWDZBQOSA-N 277.383 3.773 30 20 CHED Cc1ccc(SCCC(=O)N[C@@H](C#N)CC(C)C)cc1 608822936 JRYPOJSDOPFSKF-CQSZACIVSA-N 290.432 3.532 30 20 CHED Cc1cccc(COc2cccc(NC(=O)[C@H](C)C#N)c2)c1 609921888 RFZKNLFWPPHBNY-CQSZACIVSA-N 294.354 3.672 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCc2nc(C)cs2)C1 617778424 GEBHQJOETPPDKX-CQSZACIVSA-N 292.448 3.589 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CC1CCCCC1 618733506 LMJFKKKDCMMKLZ-QGZVFWFLSA-N 282.387 3.632 30 20 CHED C=CCC1(NC(=O)C2CCC3(CC2)CC3)CCCC1 619111186 WYJDHEQIBQTNSY-UHFFFAOYSA-N 261.409 3.962 30 20 CHED Cc1cnc(NCc2ccc(C#N)c(Cl)c2)s1 619747138 FUHJTUUXCVLHHU-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(SC)oc1C 620864481 FQMPWNBKLNTQDP-UHFFFAOYSA-N 267.394 3.785 30 20 CHED C=CCC[C@H](NC(=O)N1O[C@H]2C=C[C@H]1CC2)c1ccccc1 636955832 ZSQFPYXCJGRGOD-ULQDDVLXSA-N 298.386 3.738 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(C)[nH]c1C 642168573 RWUDTXLKSLYJPW-UHFFFAOYSA-N 274.389 3.521 30 20 CHED CC1(C)CN(CC#Cc2ccc(F)cc2)[C@@H]1c1ccncc1 664834103 UISMMWOJLJHXOB-GOSISDBHSA-N 294.373 3.655 30 20 CHED C=CCCN1CCc2c(F)cc(Br)cc2C1 675249557 IFBJZQXXMQAFPV-UHFFFAOYSA-N 284.172 3.522 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2C[C@]2(C)c2ccccc2)c1 680375520 OUXAALQBXYRHQP-RBUKOAKNSA-N 290.366 3.903 30 20 CHED CCC#C[C@@H](C)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 680427806 OYXLJQTUDDHSJE-ZIAGYGMSSA-N 297.402 3.752 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCC[C@H](C)CC 684782671 OYMGCRBKEDRFJA-INMHGKMJSA-N 281.440 3.690 30 20 CHED CS[C@@H]1CC[C@H](N(C)CCCCC(C)(C)C#N)C1 687678814 RZGMUYUWFKRRAP-UONOGXRCSA-N 268.470 3.922 30 20 CHED CC(C)(C)CNC(=S)Nc1ccc(C#N)c(Cl)c1 726475599 QXHFQKWJWXNTLS-UHFFFAOYSA-N 281.812 3.544 30 20 CHED C#Cc1cccc(NC(=O)N(Cc2ccccn2)C(C)C)c1 729632111 QVVYCRPFTNLBPT-UHFFFAOYSA-N 293.370 3.505 30 20 CHED Oc1nc2ccccc2cc1/C=N/Cc1cc(F)ccc1F 729641637 QPKUDWLAYPJTFC-KEBDBYFISA-N 298.292 3.838 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C\c1ccccc1O)CC2 730147839 URFQXNGMAYRQTQ-CJMVGXJBSA-N 251.329 3.807 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc3c(c1)CCO3)C2 730948284 BIDRIMLXTNVIJI-MHWRWJLKSA-N 276.335 3.752 30 20 CHED Cc1ccc(F)c(C=NNc2cc([N+](=O)[O-])ccc2C)c1 734980606 UORBWJRXZUECQP-UHFFFAOYSA-N 287.294 3.797 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)C2CCCCCCC2)C1 741696753 RLFYYICRBISSIY-YOEHRIQHSA-N 276.424 3.936 30 20 CHED CCCCCC(CCCCC)=NNc1nnc(C)c(O)n1 743426362 OJHNEEOYAKNLGD-UHFFFAOYSA-N 293.415 3.814 30 20 CHED C#CCOc1cccc(Oc2ccnc(C(C)(C)C)n2)c1 749282172 NVOARHOAMXNBMP-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C/C(=C\C(=O)N(C)c1ccccc1C#N)c1ccc(F)cc1 752819041 GUJOPJPHPWLCBC-ACCUITESSA-N 294.329 3.764 30 20 CHED CC(C)(C)c1ccc(C=NO[C@@H]2CCCCO2)cc1 755813417 GDNWSDPJWKDTNS-OAHLLOKOSA-N 261.365 3.861 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccc(F)cc1)OCC 756476966 MFNCUBLAYVFYDI-WFASDCNBSA-N 280.339 3.801 30 20 CHED CCCCCCCNC1CCN(C(=O)CC(C)(C)C)CC1 756880956 GZIHEYZMXZDVTN-UHFFFAOYSA-N 296.499 3.974 30 20 CHED Cc1cc(F)c(C(=O)OCc2cccc(C#N)c2)cc1F 757893627 WIAGHXFPFGTMPG-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCc1ccc(CCC=NNc2ncccc2[N+](=O)[O-])cc1 758124701 NSTUIXKELSCZAE-UHFFFAOYSA-N 298.346 3.583 30 20 CHED C#CCCCCC(=O)Nc1cnccc1-c1ccccc1 758210406 MWKMCRBFERJLMO-UHFFFAOYSA-N 278.355 3.881 30 20 CHED COc1cc2c(cc1/C=C\C(=O)c1ccc(C)cc1)OCO2 758912698 XCHDHTMGZBULFJ-FPLPWBNLSA-N 296.322 3.628 30 20 CHED COc1cc(F)ccc1NN=Cc1cccc2cccnc12 761889554 FGAHZZZOGRKMAO-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C[C@@H](C=NNC1CCCC1)c1cccc(Cl)c1 763362689 JTHTVOJXRLOQSY-NSHDSACASA-N 250.773 3.962 30 20 CHED CC[C@H](C(=O)[C@@H](C#N)c1ccncn1)C1CCC(C)CC1 764809730 HATGZXPKKXEDGR-WUCCLRPBSA-N 285.391 3.505 30 20 CHED Cc1ccc(CC[C@@H](C)NCc2ccc(C#N)cc2)cc1 765009395 FYCSZDSYCFFQTJ-MRXNPFEDSA-N 278.399 3.978 30 20 CHED C/C=C(/C=C\C(=O)Nc1ccc(F)c(C#N)c1)CC 765408242 KBVMITSVASCNGL-MJYGYMJXSA-N 258.296 3.548 30 20 CHED CC(C)CC[C@H]1CCCC1=NNCCOCC(F)(F)F 765597761 CXFDFAASXDQTSF-GFCCVEGCSA-N 294.361 3.747 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc(-c2ccco2)s1 766337917 FNZJBIDCOKANRK-NSHDSACASA-N 275.329 3.713 30 20 CHED COc1cc(OCc2ccc(CF)cc2)ccc1C#N 766760870 HPBSFCZQJRXTMN-UHFFFAOYSA-N 271.291 3.615 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccncc2CC)cc1 766771574 FHOFHUNBCUKOIA-YFHOEESVSA-N 281.355 3.939 30 20 CHED COc1cc(C(=O)O)ccc1NN=C[C@@H]1CCC[C@H](C)C1 768367348 PEUCGDYWYLGDQM-NWDGAFQWSA-N 290.363 3.617 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1cccs1 768381837 NKRSUBQLGYYISR-UHFFFAOYSA-N 276.752 3.504 30 20 CHED CC(C)c1cccc2c1OCCCC2=NNCC(F)F 768485304 OOSILTZNOCGBEH-UHFFFAOYSA-N 282.334 3.541 30 20 CHED CCn1nc(C=NNc2cccc(C)c2)c2ccccc21 769767036 XPDIJQZMQHGWKH-UHFFFAOYSA-N 278.359 3.811 30 20 CHED CC(=NNc1nccc2sccc12)c1sccc1O 769781071 VOPDZLNVFHEEGM-UHFFFAOYSA-N 289.385 3.900 30 20 CHED COc1ccc(/C=C\C(=O)c2ccco2)c(Cl)c1 769783667 HULSZMZLAQDQHM-ALCCZGGFSA-N 262.692 3.838 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1cc2ccccc2o1 769813258 CZESUYJRSVNALB-UHFFFAOYSA-N 289.338 3.818 30 20 CHED N#Cc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1F 770569601 QCPFSVKDQQLPJU-AWNIVKPZSA-N 298.704 3.843 30 20 CHED C=CC[C@H]1N(C(=O)N[C@H](C)CCSC)CCCC1(C)C 770675790 QOCHIROGBNDKCL-ZIAGYGMSSA-N 298.496 3.904 30 20 CHED N#Cc1cccc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 771011738 UIZOYYJXDTXRJE-OFQRWUPVSA-N 269.344 3.684 30 20 CHED Cc1ccc2c(c1)C(=NNc1nccnc1C(C)C)CC2 773077106 CREBPDCYKSAOIE-UHFFFAOYSA-N 280.375 3.671 30 20 CHED CCC(C)(C)NC(=S)N[C@H](CCC#N)c1ccccc1 774204656 WIVJOZGPMITOML-CQSZACIVSA-N 289.448 3.684 30 20 CHED C[C@H]1CC[C@@H](CC(=O)OCc2cccc(C#N)c2F)C1 774968483 DTRYJDDMRUIDCW-NWDGAFQWSA-N 275.323 3.567 30 20 CHED CC/C(=C/C(=O)OCC1(C#N)CC1)c1ccc(C)cc1 775858966 DWBASZQZIUTCTQ-UVTDQMKNSA-N 269.344 3.635 30 20 CHED CCCCCCCCCCN1CC[C@@H](n2cncn2)C1 776875857 AVSITVHRSAKXLP-MRXNPFEDSA-N 278.444 3.666 30 20 CHED CCC(=NNc1cc(Cl)ccn1)c1ccccc1 777913361 KXSDSUTWIJOXIK-UHFFFAOYSA-N 259.740 3.961 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cccc(Br)n1 777920782 PXRYPTJTLUJHPT-AATRIKPKSA-N 292.132 3.642 30 20 CHED CC(C)OCCNN=C1CCC(C)(c2ccccc2)CC1 778551121 VYAVHIWKFAVUHT-UHFFFAOYSA-N 288.435 3.889 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3C=CCCC3)[nH]c12 778648620 AVJAKDOKYFOKCW-ZIAGYGMSSA-N 293.370 3.794 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1ccnc(Cl)c1 779463234 ZRKASUILCQKVLJ-RQOWECAXSA-N 279.673 3.909 30 20 CHED Cc1cc(COC(=O)CCc2ccc(F)cc2)ccc1C#N 782110661 KXPOWYCITNTRDG-UHFFFAOYSA-N 297.329 3.682 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cc(F)ccc1C)OCC 782296949 AHNAQGMANZNMBP-HNNXBMFYSA-N 280.339 3.549 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1)c1cccc(F)c1 783511981 YAFGKHSSGUNDEO-UHFFFAOYSA-N 286.306 3.750 30 20 CHED C[C@H]1CCC(=NNc2ncnc3ccsc23)[C@@H](C)C1 783855310 HBEBKQAWXIILAG-UWVGGRQHSA-N 274.393 3.915 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)CSC(C)C 783874297 IQTKYGUWYRAVAG-UHFFFAOYSA-N 293.432 3.665 30 20 CHED CO[C@H]1Cc2ccc(NCC(C)(C)CCC#N)cc2C1 784626582 ATRAZLYVGKWDDH-INIZCTEOSA-N 272.392 3.542 30 20 CHED Cc1cc(C)cc(OCCCOC(=O)CC(C)(C)C#N)c1 785090716 JUMYSSMWJIMBHS-UHFFFAOYSA-N 289.375 3.555 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NNCC(C)C 785461829 PNYOHCGIBOSOMU-UHFFFAOYSA-N 258.287 3.593 30 20 CHED CCc1nc(C)c(C(C)=NNC2CCCCC2)s1 786041896 FJSYITDXTWWDKC-UHFFFAOYSA-N 265.426 3.660 30 20 CHED Brc1ccccc1C=NNC1CCCCC1 786043674 RNNIEECCLPVWJR-UHFFFAOYSA-N 281.197 3.705 30 20 CHED CCc1ccc(C=NNc2ccc3c(=O)[nH]ccc3c2)s1 789084654 BFGAZMXOFZCDNC-UHFFFAOYSA-N 297.383 3.598 30 20 CHED CC(C)(C(=O)OCCCCC#N)c1ccc(Cl)cc1F 789215164 KUUGRRFPXQBVLL-UHFFFAOYSA-N 297.757 3.994 30 20 CHED CCCOc1ccc2[nH]cc(C=NN[C@H](C)CC)c2c1 790182956 HQGVTVWBKQLCJE-GFCCVEGCSA-N 273.380 3.679 30 20 CHED CN1CCCC(=NNc2cc(Cl)cc(Cl)c2)CC1 790201709 JCHMWFRMMGHSJR-UHFFFAOYSA-N 286.206 3.877 30 20 CHED O=C1/C(=C/c2ccsc2Cl)Cc2cc(O)ccc21 790223385 NAEZJSWHTHRKLV-BJMVGYQFSA-N 276.744 3.930 30 20 CHED C=CCN(C(=O)Cc1cccc(Cl)c1OCC)C(C)C 790584236 NMSYBQPKMIHIHR-UHFFFAOYSA-N 295.810 3.704 30 20 CHED CN1CCCC(C)(C)[C@@H]1C/N=C\c1cc(Cl)ccc1O 790599385 XTUBIQSRBBATDH-PACYTGELSA-N 294.826 3.585 30 20 CHED CCC/C(C)=C\C(=O)[C@@H](C#N)c1cnc2ccccc2n1 792111637 XOIXJKHOFIUKQV-SUIFULHWSA-N 279.343 3.552 30 20 CHED C=CCC1(C(=O)OCc2csc(Cl)n2)CCC1 793224348 IMGIWUGNUAIJGP-UHFFFAOYSA-N 271.769 3.586 30 20 CHED O=C(O)c1cc(NN=C2CCC[C@H]2CCF)ccc1Cl 794854577 IHYJQZOPMAVYSL-VIFPVBQESA-N 298.745 3.966 30 20 CHED C#CCCCCN[C@H](C)CCc1ccc(F)cc1F 796833359 JEJGKXNVZAUGMG-CYBMUJFWSA-N 265.347 3.679 30 20 CHED CC(C)(CC#N)COC(=O)c1ccc(C(C)(C)C#N)cc1 796842481 DGLSHDDWOBGMHQ-UHFFFAOYSA-N 284.359 3.584 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc(SC(F)F)cc1 796877731 JOQMGWOHCJQMEX-CQSZACIVSA-N 299.342 3.984 30 20 CHED Cc1ccc(C(=O)N(C)C2CCC(C)(C)CC2)cc1C#N 799348352 NFIGKWBLKHNXQR-UHFFFAOYSA-N 284.403 3.908 30 20 CHED CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC1CC1 799485513 UJWSIGWLRHTURW-UHFFFAOYSA-N 269.392 3.964 30 20 CHED C=CCCNc1ccc(OCC(F)(F)F)c(F)c1 799968721 DKUAQFGJHXSIMJ-UHFFFAOYSA-N 263.234 3.755 30 20 CHED Cc1cc(COC(=O)c2c(F)cc(C#N)cc2F)cs1 806023439 KBMZUBCSJSRFKM-UHFFFAOYSA-N 293.294 3.563 30 20 CHED CCCCCCCCCN(C)C(=O)NCC1=CCCOC1 807594308 MUPJNPIKMREKMN-UHFFFAOYSA-N 296.455 3.725 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)CCCc1ccccc1)C(C)(C)C 807882766 ZXKPFHIQFJFZCN-DOTOQJQBSA-N 285.431 3.810 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CC[C@H]1C(C)(C)C 807982387 YVIAGKNZKFXNGK-LLVKDONJSA-N 290.363 3.617 30 20 CHED CC(C)(C)Oc1ccc(C(=O)/C=C\c2cnccn2)cc1 809156532 IKVRTPZKRYADFS-TWGQIWQCSA-N 282.343 3.550 30 20 CHED C#CCCc1noc([C@@H]2CCC[C@H]3CCCC[C@@H]32)n1 809396916 RJKHCOPNOGMFIK-HZSPNIEDSA-N 258.365 3.709 30 20 CHED C#Cc1ccc(CN[C@@H]2CCCOc3c(F)cccc32)cc1 809634727 MAYPKEWWQFHUPC-GOSISDBHSA-N 295.357 3.811 30 20 CHED C#CCCCNC/C(C)=C/c1ccccc1OC(F)F 810146240 OJZVMVBQKWKGIL-ACCUITESSA-N 279.330 3.694 30 20 CHED CC(C)[C@H]1CCCCC1=NNC[C@H]1CCSC1 811658067 GLHIHAGMIHQBMG-CHWSQXEVSA-N 254.443 3.531 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccccc2F)o1 812459590 BUFUVTFEPJHYEM-ZYHUDNBSSA-N 258.296 3.988 30 20 CHED Cc1cc(C=NNc2ccccc2F)cc(C)c1O 812460302 NKVATLYBRYOXCW-UHFFFAOYSA-N 258.296 3.594 30 20 CHED C[C@H]1CCC(=NNc2ncc(Cl)cc2Cl)C1 814740727 UYSXRGUKHQMFNU-ZETCQYMHSA-N 258.152 3.976 30 20 CHED CCCNN=Cc1c(Cl)nc(Cl)n1-c1ccccc1 814804650 ZUFFPCQKQSMIEM-UHFFFAOYSA-N 297.189 3.513 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(OC(F)(F)F)c1 814877812 AWTXSDIGIHRSBY-UHFFFAOYSA-N 295.207 3.735 30 20 CHED CCOc1ccc(NN=Cc2ccc(C#N)c(C)c2)cc1 814985362 DFVVJHNYQQWYFK-UHFFFAOYSA-N 279.343 3.711 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(C3CCCCC3)CC2)C1 815018678 XVARWGFXPCLGOM-PBHICJAKSA-N 260.425 3.971 30 20 CHED Cc1c(F)cccc1C(=O)OCCCC(C)(C)C#N 817244068 UEZAZMFJHWVXDZ-UHFFFAOYSA-N 263.312 3.621 30 20 CHED CCn1cc(C(=O)/C=C\c2cccc(C3CC3)c2)cn1 817346952 ZGLQXNLVQZJAKW-TWGQIWQCSA-N 266.344 3.677 30 20 CHED C#C[C@H](NC(=O)N(CC=C)C(C)C)c1ccc(Cl)cc1 820573733 ZRVXEDNZYSRCEY-HNNXBMFYSA-N 290.794 3.620 30 20 CHED C#C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1C)C(C)C 821563681 ZZXBRGCQCLUNMJ-GFCCVEGCSA-N 298.308 3.793 30 20 CHED C=CCCCCCCCNC(=O)/C=C(\C)c1cnccn1 832855252 FBZMEYPNKBUVFN-FYWRMAATSA-N 287.407 3.523 30 20 CHED C=CCC(F)(F)C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 833610152 DPZAPWFVKOASCO-HUUCEWRRSA-N 293.357 3.898 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc2ccccc2c1O 834894473 SSZMHHNWRFJBIM-XWIAVFTESA-N 297.398 3.930 30 20 CHED C#Cc1cccc(CN[C@H](c2ccccc2)C2CC2)c1 834901737 BNXQGCXDNZTTKR-LJQANCHMSA-N 261.368 3.909 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)O[C@@H](C)C(C)(C)C#N 835245619 REAGZEUAOBQYPV-YNEHKIRRSA-N 251.370 3.684 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCc2ccc(Cl)s2)C1 839048102 LDGPNJIIGSQZRJ-QWRGUYRKSA-N 297.807 3.960 30 20 CHED C[C@@H](C#N)OC(=O)CSc1ccc(C(C)(C)C)cc1 839274045 XHBJAFRXIZLJDY-NSHDSACASA-N 277.389 3.531 30 20 CHED CC[C@@H](NC(=S)N(C)CC(C)(C)C#N)c1cccs1 840748243 CMUNVYDGVFQMPL-LLVKDONJSA-N 295.477 3.555 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)c1csnn1 840885750 HARXXUISQWXCLZ-VXGBXAGGSA-N 253.415 3.714 30 20 CHED CC(CCCCC#N)=NNCc1cnc2ccccc2c1 841630112 GVGKBWQHRCAUBU-UHFFFAOYSA-N 280.375 3.784 30 20 CHED CCc1oc2ccccc2c1C=NOCc1cn(C)nc1C 842022320 XNOZVHYOXGNSBY-UHFFFAOYSA-N 297.358 3.588 30 20 CHED CC[C@@H](CC#N)OC(=O)CCCc1ccc(SC)cc1 842772425 ZLPQMBQWDWHSBZ-AWEZNQCLSA-N 291.416 3.967 30 20 CHED N#C[C@H](C(=O)C1=CCCCC1)c1nc(C2CC2)cs1 842944059 ICEBBBJMIHGDPZ-GFCCVEGCSA-N 272.373 3.697 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccn(CC)n1 843534373 DPKCPZXGFMCVRP-UHFFFAOYSA-N 279.428 3.726 30 20 CHED C=C[C@@H](C)ONC(=O)c1oc2ccccc2c1CSC 846542282 YIPVLVMSFYJDIA-SNVBAGLBSA-N 291.372 3.532 30 20 CHED C#CC1CCN(C(=O)CCC2CCCCCC2)CC1 847098314 OKKPNPVYBYGKLT-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(C(F)F)cc1F 847692941 XEHUFWUTBKASKT-VIFPVBQESA-N 271.238 3.612 30 20 CHED CCCCCCCCNC(=N)NCC[C@H]1CCO[C@H](C)C1 849078954 UHTTXTUPTXGOIR-CVEARBPZSA-N 297.487 3.666 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC1SCCS1 850562810 ZTNFCZNDYHGLLP-NWDGAFQWSA-N 257.468 3.517 30 20 CHED N#CC1(C(=O)Oc2cccc(OC3CC3)c2)CCCCC1 851349055 RSRJSIGCGQQJSL-UHFFFAOYSA-N 285.343 3.607 30 20 CHED CC[C@@H](c1ccccc1)N(CCO[C@@H](C)C#N)C(C)C 852690590 KJTLNNXQQPIOIE-RDJZCZTQSA-N 274.408 3.777 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2cnc3n2CCC3)cc1 853294555 VGAGAEOMVLWIIC-CQSZACIVSA-N 296.418 3.637 30 20 CHED COc1ccc(CCNN=C2[C@@H]3CCC[C@@H]3C2(C)C)cc1 853309439 BIUDPPPOAROVRG-CVEARBPZSA-N 286.419 3.639 30 20 CHED COC(=O)c1cccc(NN=C2CCC23CCC3)c1C 853397352 CAVKZDGCFLVCTK-UHFFFAOYSA-N 272.348 3.514 30 20 CHED C=CCCONC(=O)C(C)(C)c1cccc2ccccc12 856036217 WCLLLCHYGOMNRC-UHFFFAOYSA-N 283.371 3.741 30 20 CHED Clc1cnc(NN=C2CCC[C@@H]2c2ccccc2)nc1 857223368 PFYSYSKWCXTSOI-CYBMUJFWSA-N 286.766 3.866 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)c(C)n1-c1ccccc1 858543174 QPKAUGXJDWMRNR-FUHWJXTLSA-N 293.414 3.876 30 20 CHED CCC[C@@H](CNc1nc2ccccc2cc1C#N)OCC 858656993 PRHWGAVDSWTMGI-HNNXBMFYSA-N 283.375 3.724 30 20 CHED N#CCC1(COC(=O)CCc2ccc(Cl)c(F)c2)CC1 860421429 VGEJEIZMTCNWRA-UHFFFAOYSA-N 295.741 3.649 30 20 CHED CCCCCCCNC(=O)c1ccc(C(C)=O)cc1 862360653 WIYKAHQTKGMNPP-UHFFFAOYSA-N 261.365 3.589 30 20 CHED C=C(C)[C@H](NC(=O)N(CC)OCC)c1ccc(F)c(F)c1 875502781 BXOOTWVNYGLCMY-AWEZNQCLSA-N 298.333 3.565 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(Cl)c(F)c1 875504806 VPXINZIXBHLLNJ-UHFFFAOYSA-N 269.703 3.714 30 20 CHED COc1cc(C)c([C@@H](C)NCC2(C#N)CCC2)cc1C 877594918 MLVRNRKNPONKCK-CQSZACIVSA-N 272.392 3.657 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(c2ncc(C)s2)CC1 879772373 ZQFKAWFXFMIVGT-UHFFFAOYSA-N 292.448 3.760 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H](c2ccccc2)C1 880106416 WNBISOZLIRSOLN-MRXNPFEDSA-N 271.404 3.995 30 20 CHED C=CCC[C@@H](C(=O)N1CCC(F)CC1)c1ccccc1 881611007 FISPOXKTIPUDRT-MRXNPFEDSA-N 275.367 3.697 30 20 CHED C=C1CCC(C(=O)Nc2scc(C(=O)OC)c2C)CC1 889876738 WPLRQUOSNBBPPV-UHFFFAOYSA-N 293.388 3.528 30 20 CHED C=C(C)CCc1noc([C@H](O)[C@H](C)c2ccc(C)cc2)n1 896281033 MWLMQOPBDZQYPD-CZUORRHYSA-N 286.375 3.724 30 20 CHED CCC(CC)[S@](=O)CCCCC1(C#N)CCC1 899280690 VOXMNGYEWIBBHW-QGZVFWFLSA-N 255.427 3.788 30 20 CHED O=C([C@H]1C[C@H]2CC[C@H]1C2)N(O)Cc1cccc2ccccc12 900091762 MAUYNOBTXHLPAD-YEWWUXTCSA-N 295.382 3.994 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cncn2C(C)C)cs1 901490168 NMFBPYHYALJJCI-WAYWQWQTSA-N 289.404 3.940 30 20 CHED C[C@@H]1/C(=C\c2ccc(OCC3CC3)cc2)C(=O)c2nccn21 901564779 HMQIJHSKERSRTR-HMHNVIDESA-N 294.354 3.513 30 20 CHED CC[C@@H](N[C@H](COC)c1ccccc1)c1cccc(C#N)c1 902867298 ZHKQPZPWPLBDMO-RTBURBONSA-N 294.398 3.987 30 20 CHED CC1(C)Cc2occc2[C@H](NCC2(C#N)CCC2)C1 903030459 BXYUCQOPRWGQJW-CYBMUJFWSA-N 258.365 3.577 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1Cl 903167019 VUOLDPMOJPMRDX-QGZVFWFLSA-N 297.789 3.848 30 20 CHED CN(CCCCc1ccccc1)C(=O)c1ccsc1C#N 906266384 OJEDZRKJVNEDIS-UHFFFAOYSA-N 298.411 3.715 30 20 CHED Cc1nc(-c2ccc(NC(=O)C3(C#N)CCCC3)cc2)co1 913136152 GDUJVQZATCMYIC-UHFFFAOYSA-N 295.342 3.673 30 20 CHED CC1=CC(=NNC(=S)Nc2cccc(C)c2C)CC1 915912437 SMWNOZDPTAAFGL-UHFFFAOYSA-N 273.405 3.686 30 20 CHED COc1cccc(O)c1/C=N/Cc1cccc(OC(C)C)c1 915981040 KBEKCSFLUSFWGP-XDHOZWIPSA-N 299.370 3.807 30 20 CHED Clc1cccc(Cl)c1C=NNc1ccccn1 916276235 RNJWUFWIWUDJCW-UHFFFAOYSA-N 266.131 3.834 30 20 CHED C=CCOC(=O)[C@@H](C)Sc1ccc(Cl)cc1 916595581 SWTPDPHLKWKTND-SECBINFHSA-N 256.754 3.550 30 20 CHED COc1ccc(C(C)=NNc2ncccc2Cl)cc1 917548704 FBFBRFGLRZKTGU-UHFFFAOYSA-N 275.739 3.580 30 20 CHED COc1cccc(/C=N\Cc2ccc([C@@H]3C[C@H]3C)o2)c1O 917556685 IKBPRZBPMGAOCZ-BDDQAATASA-N 285.343 3.736 30 20 CHED C=CCN(C(=O)NCC1(c2ccccc2)CCC1)C(C)C 918063165 INIMDPXWIPUDRS-UHFFFAOYSA-N 286.419 3.714 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1cccs1 918155168 RXSXVHNEUGJYRI-TWGQIWQCSA-N 260.289 3.546 30 20 CHED C[C@H](C#N)OC(=O)CCn1c2ccccc2c2ccccc21 919300776 VWTCLOXFFPNKLB-CYBMUJFWSA-N 292.338 3.640 30 20 CHED O=C(/C=C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 920241561 SBEREJLKYCEPOF-KBXRYBNXSA-N 292.334 3.910 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ccc([N+](=O)[O-])cn1 920373441 AMDNZOALWOXYNE-UHFFFAOYSA-N 298.346 3.719 30 20 CHED CCOc1ccc(C=NN[C@@H](C)c2ccccc2)cc1OC 920386100 PZSZJVUHDZUFJQ-AWEZNQCLSA-N 298.386 3.779 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1cc(C)c(Cl)c(C)c1 921151247 DTPKPJGPUYHHIP-GFCCVEGCSA-N 282.767 3.843 30 20 CHED CSCc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1 926416619 QPYSNSCSOSSBMC-CYBMUJFWSA-N 276.449 3.968 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1cccc2cccnc12 935794813 SNPPUCDIRVDTMX-ZDUSSCGKSA-N 268.360 3.800 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1cc(C)c(C)o1 1116914652 ZEJXRJGCOJJPLH-ALCCZGGFSA-N 272.300 3.507 30 20 CHED C=C(C)CCC(=O)Nc1ccc(N2CCCC2)c(C)c1 1121035283 JUWPMKHCRMGARE-UHFFFAOYSA-N 272.392 3.890 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)c1ccc(C)cc1C 1125284258 QFMCHNYJWHFSOG-UHFFFAOYSA-N 296.345 3.981 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 1126697548 CSIZJJXRMBKVOO-UXIGCNINSA-N 270.376 3.878 30 20 CHED CCSc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 1207313470 ISNGWDXKWPRQNE-LSDHHAIUSA-N 274.433 3.971 30 20 CHED N#Cc1ccc(Cl)c(-c2nnc(C3CCCC3)o2)c1 1257592832 IEAHDIJYYKJZHA-UHFFFAOYSA-N 273.723 3.919 30 20 CHED C=C(CC)C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 1263706856 PPKRAIISSFQNTN-UHFFFAOYSA-N 299.414 3.691 30 20 CHED Cc1cc(C)c(C(=O)N(C)c2cccc(C#N)c2)s1 1264782861 VHORDHQWHLMIRG-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)Nc1sccc1C#N 1310956740 OJFSNQZGPOLMQM-NSHDSACASA-N 277.393 3.710 30 20 CHED CCCCN(CC(F)(F)F)C(=O)CC#Cc1ccccc1 1319656787 TYXVZDYAXVCCJS-UHFFFAOYSA-N 297.320 3.619 30 20 CHED Cc1ccc(CSCc2cc(C#N)ccc2F)nc1 1319857556 NEEKQPOKGLQNDK-UHFFFAOYSA-N 272.348 3.834 30 20 CHED C=CCC[C@H](NCc1cc(OCC(F)F)ccn1)C1CC1 1320019597 CPONBDPOPHGRMA-HNNXBMFYSA-N 296.361 3.560 30 20 CHED CC(C)(C)ON=Cc1ccc(C(F)(F)F)s1 1320778502 ZDMUJZDNRQRSHR-UHFFFAOYSA-N 251.273 3.916 30 20 CHED O=[N+]([O-])c1ccc(NN=CCCc2ccc(F)cc2)cc1 1321810255 QXLXCSXRBUOPSD-UHFFFAOYSA-N 287.294 3.764 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(Cl)c(F)c1 1323221160 DJRJPSRFOXCFIL-JTQLQIEISA-N 294.757 3.740 30 20 CHED C[C@H]1C[C@@H](C=NOC(C)(C)C)CCN1C(=O)OC(C)(C)C 1323618795 QFGXHQBGXALMHQ-STQMWFEESA-N 298.427 3.823 30 20 CHED N#Cc1ccc(-c2nnc(C3(c4ccccc4)CC3)o2)cc1 1326235570 SHGPUJKJTXYYEY-UHFFFAOYSA-N 287.322 3.688 30 20 CHED C[C@]1(C(=O)OCc2ccc(C#N)s2)CCc2ccccc21 1327193905 BUFSJKWXGTZIBD-KRWDZBQOSA-N 297.379 3.567 30 20 CHED N#CCCCCNc1ccnc(-c2cccc(Cl)c2)n1 1331551295 PJQVQYIZEBUURT-UHFFFAOYSA-N 286.766 3.903 30 20 CHED C=C(C)CCC(=O)NCc1cccc(COC(C)(C)C)c1 1337060669 UWSFVDAPGZZBOY-UHFFFAOYSA-N 289.419 3.974 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](C)c1ncc(C)s1 1340097233 BIAYTEFHORLWOV-OLZOCXBDSA-N 293.436 3.653 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)Cc1cccc(Cl)c1 1340892581 LSVOFXKUABBWRE-WFASDCNBSA-N 292.810 3.669 30 20 CHED C=CCCO[C@@H](C)c1nnc(CCCc2ccccc2)o1 1345950084 URRZJUHVZFBWOM-AWEZNQCLSA-N 286.375 3.899 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)c1ccc(F)cc1F 1346350388 HGMBWUOPRUSBBQ-QWRGUYRKSA-N 295.329 3.940 30 20 CHED CC(C)(C)ON=Cc1cscc1C(F)(F)F 1347385394 WUZKBEIQAQBISL-UHFFFAOYSA-N 251.273 3.916 30 20 CHED C[C@H](C(=O)NCc1cccc(C#N)c1)c1ccc(Cl)cc1 1355467224 LZTLYJJUQXNDMK-LBPRGKRZSA-N 298.773 3.632 30 20 CHED COc1cc(NC(=O)c2c(C)cccc2C)c(F)cc1C#N 1438032699 YUOPGBATSWMZIY-UHFFFAOYSA-N 298.317 3.575 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC[C@@H](C#N)C2)c1 1455571533 ZOXCBDOEPUIMSW-WBVHZDCISA-N 298.430 3.751 30 20 CHED C[C@H](OC(=O)c1nccc2occc12)c1cccc(C#N)c1 1457760895 QZMHDRWZGFCXDV-NSHDSACASA-N 292.294 3.617 30 20 CHED N#Cc1c(F)cccc1CN[C@H]1C[C@H](c2ccccc2)C1 1462164842 OELYAXJNQFHXJK-WKILWMFISA-N 280.346 3.733 30 20 CHED Cc1cc(C)c2c(c1)CCN(Cc1cccc(C#N)c1F)C2 1473904739 BYHFJEYLZVMPGC-UHFFFAOYSA-N 294.373 3.873 30 20 CHED CCCCC1CCC(CNC(=O)NCC(C)(C)C#N)CC1 1477594925 AHDQYUDOOHXPSE-UHFFFAOYSA-N 293.455 3.832 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CSCc1cccs1 1515515957 ZVZKDJAVNLEGIW-NSHDSACASA-N 297.445 3.853 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1517045585 FGLPGYRHNKLSGF-CAOSSQGBSA-N 299.418 3.686 30 20 CHED Cc1csc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1 1534857046 ISTWKROLWPDVDS-LLVKDONJSA-N 271.341 3.846 30 20 CHED N#Cc1cccnc1Sc1ccc2c(c1)CCCC2 1559215158 IHRRBUIFOCHHRN-UHFFFAOYSA-N 266.369 3.983 30 20 CHED CCOc1cccc(F)c1CN(CCC#N)CC(C)C 1560718562 XJHGHSDNQPDONC-UHFFFAOYSA-N 278.371 3.596 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@]1(C(=O)O)CC1(C)C 1589645353 YJDWPINFYAMKEM-CXAGYDPISA-N 297.439 3.600 30 20 CHED N#Cc1cccc(SCC2(CC(=O)O)CC2)c1Cl 1601121278 KDSRXLVIAAKQLS-UHFFFAOYSA-N 281.764 3.559 30 20 CHED C=CC(C)(C)CCCNCc1[nH]cc(C(=O)O)c1C1CC1 1602807672 RMDRPWBUEGVNJO-UHFFFAOYSA-N 290.407 3.672 30 20 CHED CC(C)CCOc1ccc(N=c2cc[nH]c(C#N)c2)cc1 1612027349 ATZCZIDIRZEEAU-UHFFFAOYSA-N 281.359 3.544 30 20 CHED Cc1ccc(SCc2cc(C#N)ccn2)cc1C 1613270112 ZBGHEONUROJWFY-UHFFFAOYSA-N 254.358 3.862 30 20 CHED Cc1ccnc2[nH]c(SCc3ccc(CC#N)cc3)nc12 1641093634 KYWXTWBPLCAROQ-UHFFFAOYSA-N 294.383 3.625 30 20 CHED N#Cc1cnc(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 1651815423 YYJWFVXHIGDSLP-HIFRSBDPSA-N 299.324 3.980 30 20 CHED C=C(Cl)CNCc1ccc(C(F)(F)F)c(C)c1 1655687645 GWRQUJCCQXXUBK-UHFFFAOYSA-N 263.690 3.856 30 20 CHED Cc1ccc(CN(Cc2cccc(C#N)n2)C2CC2)cc1C 1657212449 QHKOWRFVDGGJNT-UHFFFAOYSA-N 291.398 3.735 30 20 CHED Cc1ccc(F)c(CNc2cccc(C#N)c2C)c1 1657459585 ZLWZGYRAEMOOET-UHFFFAOYSA-N 254.308 3.926 30 20 CHED COc1cc(NC(=O)Nc2ccccc2C)c(F)cc1C#N 1673296488 ZUYWHKNGQCSZIZ-UHFFFAOYSA-N 299.305 3.658 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@@H]2CCC[C@@H]21 1760366203 SQXGRIDJOAPSJN-STQMWFEESA-N 294.830 3.533 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc(/C=C\C(=O)O)o1 1776056615 DRNZVRGOOURXRG-UCQRLJKNSA-N 298.342 3.694 30 20 CHED C=CCON=Cc1ccc(-c2ccc(C(=O)O)cc2)s1 1776060389 RXDHNWDEFFKMDR-UHFFFAOYSA-N 287.340 3.650 30 20 CHED O=C(O)c1ccc(NN=Cc2sccc2Cl)cc1F 1776075048 JSOOKKSIZLQHKG-UHFFFAOYSA-N 298.726 3.685 30 20 CHED Cc1nc(-c2cc(Cl)ccc2Cl)nc(C#N)c1C 1898208353 PUYYPWYSHBLZIQ-UHFFFAOYSA-N 278.142 3.939 30 20 CHED N#Cc1ccccc1OCC(=O)c1ccc(Cl)s1 3564741 JDVYMYOSWJWTJN-UHFFFAOYSA-N 277.732 3.535 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C)s2)c1 7744047 GFKLLVOSSBALBY-CMDGGOBGSA-N 285.368 3.911 30 20 CHED C=C(C)COc1cccc(NC(=O)OC(C)(C)C)c1 9824216 ZLXTVFWVLKWFAU-UHFFFAOYSA-N 263.337 3.989 30 20 CHED O=C(/C=C/c1ccc(-n2cccn2)cc1)c1ccc(F)cc1 26133045 UOSAOMKTRHJASO-NYYWCZLTSA-N 292.313 3.908 30 20 CHED N#Cc1cccc(NCc2c[nH]nc2-c2cccs2)c1 37203253 OYNZMIMYARDXDK-UHFFFAOYSA-N 280.356 3.622 30 20 CHED N#CCCCSc1ccccc1Br 37374990 WVOIOOROTOUGIT-UHFFFAOYSA-N 256.168 3.845 30 20 CHED CCc1cc(C(=O)[C@@H](C#N)c2nc(C)cs2)sc1C 41520921 HVLPJMRLZFZITB-LLVKDONJSA-N 290.413 3.874 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC(C)C 42905129 QSPYXDIIBIXZCE-UHFFFAOYSA-N 287.407 3.526 30 20 CHED COc1ccccc1CN(Cc1cccc(C#N)c1)C1CC1 52182689 XCWJDIKTOPORDH-UHFFFAOYSA-N 292.382 3.731 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 56909272 IMQZDQZOYMTHBG-UHFFFAOYSA-N 285.347 3.614 30 20 CHED C=CCn1c(C)nnc1SCCc1ccccc1Cl 58484482 BNZOBOXBCAAUPB-UHFFFAOYSA-N 293.823 3.761 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1csc(CC(C)C)n1 63962633 XSPHJFPLOPQIHR-UHFFFAOYSA-N 299.399 3.774 30 20 CHED N#Cc1cccc(CNCc2ccccc2OCC2CC2)c1 66971896 CFSRBXVMQYNHOK-UHFFFAOYSA-N 292.382 3.637 30 20 CHED Cc1ccccc1[C@@H]1CN(c2ccc(C#N)cc2F)CCO1 78367327 TVIUJFMJYAINCU-SFHVURJKSA-N 296.345 3.584 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCC1(CC)CC1 79129897 DCBXHQDSPPRCGO-UHFFFAOYSA-N 290.382 3.714 30 20 CHED CCc1cc(C#N)c(NC(=O)CC2CCCC2)s1 79263004 JGNKKKDBLOUPFH-UHFFFAOYSA-N 262.378 3.701 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cncc(C)c2)c1 79956549 WERMCEMRHQGTAZ-UHFFFAOYSA-N 282.343 3.597 30 20 CHED Cc1csc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)n1 80274341 OSZIVEHSKDQJFP-NWDGAFQWSA-N 271.389 3.735 30 20 CHED N#Cc1cc(NCc2cccc3cc[nH]c23)ccc1F 83481346 PHCGCFBKBCZRDC-UHFFFAOYSA-N 265.291 3.791 30 20 CHED Cc1ccc(NCC2(CC#N)CC2)c(Br)c1 83853513 IMHLJENTBGCNBP-UHFFFAOYSA-N 279.181 3.863 30 20 CHED C=CCCCCCN(C)C(=O)Nc1c(C)nn(CC)c1C 89479017 LMVIGVNEBBXXGR-UHFFFAOYSA-N 292.427 3.730 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2cccc(OCC#N)c2)C1 92565558 GPMKPMDMCXKWNX-HUUCEWRRSA-N 272.392 3.505 30 20 CHED CN(CCc1ccccc1)c1ccc(C#N)c(Cl)c1 96474222 PASPNIXXSHVBJH-UHFFFAOYSA-N 270.763 3.891 30 20 CHED CCN(CCC#N)C(=O)CCc1ccc(Cl)c(Cl)c1 103210701 AHDOCANLMNPHGS-UHFFFAOYSA-N 299.201 3.688 30 20 CHED CCc1ccc(N/C(N)=N/Cc2ccc(C)s2)cc1 104162230 VNOWEBBTIQQHEF-UHFFFAOYSA-N 273.405 3.546 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC)c1nc(C)cs1 105305045 NFYLXCASKBJRDV-LBPRGKRZSA-N 281.425 3.510 30 20 CHED C[C@H]1SCCN(CCCCC#N)[C@H]1c1ccccc1 118423003 QVKZAMWDTYYYHF-GDBMZVCRSA-N 274.433 3.859 30 20 CHED O=C(/C=C/c1cccc(Cl)c1F)c1ccco1 118980697 UKVKLOUWURQEET-VOTSOKGWSA-N 250.656 3.968 30 20 CHED C=CCC[C@@H](NCc1ccccc1Cn1cccn1)C1CC1 119953191 NRLQYNGMSRYYDV-LJQANCHMSA-N 295.430 3.766 30 20 CHED CCCCCN(C(=O)NCc1cccc(C#N)c1)C(C)C 120516901 INUGLLYOFQRARH-UHFFFAOYSA-N 287.407 3.668 30 20 CHED C[C@@H](Cc1cccs1)N(C)Cc1ccc(F)c(C#N)c1 121661596 ZEIGQTDYNHAMOQ-LBPRGKRZSA-N 288.391 3.822 30 20 CHED C=C[C@H](CC(=O)NCc1cccc(OC)c1)c1ccccc1 122617085 OEELJCKUSDZOFS-MRXNPFEDSA-N 295.382 3.671 30 20 CHED CCn1c(SCCCC#N)nnc1-c1ccc(C)cc1 123911307 NJRPOEWQPFVNQN-UHFFFAOYSA-N 286.404 3.669 30 20 CHED C[C@@H]1CN(Cc2ccccc2)CCCN1CCC(C)(C)C#N 131680131 RPQDSRWBOJDHEZ-QGZVFWFLSA-N 299.462 3.523 30 20 CHED C#CCCCCNC(=O)Nc1ncc(-c2ccccc2)s1 132816927 FYIHZWUSSHHQTC-UHFFFAOYSA-N 299.399 3.735 30 20 CHED CCN(CC)/C(N)=N/CC(C)(C)Cc1cccc(Cl)c1 134021675 IAAGLTMRGLCVCV-UHFFFAOYSA-N 295.858 3.565 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(Oc2cccnn2)c1 135076933 HAXOKROBRPYMBR-KRWDZBQOSA-N 297.358 3.810 30 20 CHED CC(C)(CNCc1ccc(C#N)s1)c1cccs1 135692239 SJYNVOLBUCQFTD-UHFFFAOYSA-N 276.430 3.749 30 20 CHED CCCC[C@@H](C)Nc1ccc(F)cc1OCC#N 136891680 GZTSGLMPXXNSHY-LLVKDONJSA-N 250.317 3.719 30 20 CHED C=CCCCCCN(C)Cc1nc(-c2ccco2)no1 150897233 ICOSWMIWEBNGRH-UHFFFAOYSA-N 275.352 3.508 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncc(C(C)C)s1 150932675 OZGHQPKXDGALCD-UHFFFAOYSA-N 264.394 3.973 30 20 CHED CCN(C(=O)CCc1ccccc1F)c1ccc(C#N)cc1 152142230 ZQIXCRYUFJAASM-UHFFFAOYSA-N 296.345 3.683 30 20 CHED CCN(C(=O)C[C@@H](C)C(C)(C)C)c1ccc(C#N)cc1 152297150 HWEYPTOMAWVJMP-CYBMUJFWSA-N 272.392 3.983 30 20 CHED Cc1cccc(/C=C/C(=O)c2cc(O)cc(O)c2)c1C 152684333 HYYDOOYECDAULU-VOTSOKGWSA-N 268.312 3.611 30 20 CHED C=CCN(C)C(=O)c1ccccc1Nc1ccccc1 154210194 YSUULYXNDIXSSF-UHFFFAOYSA-N 266.344 3.688 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1Cc1ccccc1 156142924 ZAYBXFXGZKEABN-UHFFFAOYSA-N 280.371 3.927 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1Cc1ccccc1Cl 156219266 DJTGJOBBLXFFEV-AWEZNQCLSA-N 292.810 3.633 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(OCC(C)C)c1 157217844 ZCJSOZFLMQYNAG-CYBMUJFWSA-N 289.379 3.535 30 20 CHED COc1cccc(COc2cccc(N[C@@H](C)C#N)c2C)c1 157785828 XMMZDRMIHAQLOT-ZDUSSCGKSA-N 296.370 3.907 30 20 CHED C=CCC[C@@H](NC(=O)Nc1nocc1C)c1ccccc1 159665068 HGDWJBJWTAMOKY-CQSZACIVSA-N 285.347 3.812 30 20 CHED C=CCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 162261786 KBTONRNKEQIVNC-JTQLQIEISA-N 269.797 3.513 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCC[C@@H](C)C1 163834558 QESBLZVUKDWVDO-CABCVRRESA-N 264.413 3.601 30 20 CHED C=CCSCCNC(=O)Nc1ccc(CSC)cc1 171280855 KKFPORKYNGXFJY-UHFFFAOYSA-N 296.461 3.590 30 20 CHED Cc1nc2c(s1)[C@H](N(C)Cc1cccc(C#N)c1)CCC2 171974876 ZTMGAYDATCADJU-MRXNPFEDSA-N 297.427 3.833 30 20 CHED CC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccncc1 174436451 SCDDSCXKIYHYPY-KBXCAEBGSA-N 295.386 3.613 30 20 CHED C[C@@H](CNCC(C)(C)CCC#N)Oc1ccccc1F 174602295 YRLNSGBQICTHOJ-ZDUSSCGKSA-N 278.371 3.513 30 20 CHED CN(CCCC(C)(C)C#N)CCOc1ccc(Cl)cc1 174809475 VBYMWEJDTLWHTG-UHFFFAOYSA-N 294.826 3.981 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C/c2cccc(OC)c2O)C1 176413810 DQMUSLIEUIKCPZ-HBPRWMASSA-N 293.432 3.884 30 20 CHED C=CC[C@@H](C)NC(=O)C(C)(C)c1ccc(CC)cc1 176615865 MADVJKOGTFIIID-CYBMUJFWSA-N 259.393 3.607 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 176862170 OXQWVTJEBUHHBE-DVOMOZLQSA-N 290.382 3.883 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C#N)c1ccccc1Cl 177134291 OSZDDCNPUKEJJY-OAHLLOKOSA-N 288.778 3.789 30 20 CHED C#CCCCCNCc1cccc(OCc2ccccn2)c1 177156092 CRDHYXDTHJEFRG-UHFFFAOYSA-N 294.398 3.554 30 20 CHED C=CCCCC(=O)N[C@@H](C)C(C)(C)c1ccccc1 177815490 CZFQISKHYZNUDL-AWEZNQCLSA-N 259.393 3.825 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NCc1cccc(C#N)c1 179394417 PYEKEHVDBOMVNT-AUUYWEPGSA-N 276.383 3.971 30 20 CHED Cc1ccc(-c2cncc(C(=O)OCC(C)(C)C#N)c2)cc1 180142842 KYACIRZGEKNLBT-UHFFFAOYSA-N 294.354 3.764 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1nc2ccc(Cl)cc2n1C 180178964 VWJMDKXBRSPVEL-QWRGUYRKSA-N 277.799 3.842 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 180447918 SEPSLRDUKZULEA-UONOGXRCSA-N 297.320 3.843 30 20 CHED Cc1ccccc1CCCO/N=C1/CCCOCC1 180495121 ZJMGPHJSBSTOJZ-MSUUIHNZSA-N 261.365 3.501 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 181823969 IXSFFCTWHPXLMH-UHFFFAOYSA-N 298.390 3.529 30 20 CHED CC(C)N(CCCN[C@@H](C)c1ccc(C#N)cc1)C(C)C 181846744 MZFSITQIFDZCEE-INIZCTEOSA-N 287.451 3.718 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)CC1CCCCC1 182150866 SBTGCYAAHFBPCB-ZDUSSCGKSA-N 286.375 3.886 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1cc2ccccc2o1 182624835 SHTAEJXSHFGRBA-OLZOCXBDSA-N 267.332 3.527 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cc(Br)cs2)C1 185783921 JZHIOKGYHIYQKK-MWLCHTKSSA-N 299.237 3.683 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cc3c(cc2Cl)OCCO3)C1 185876390 ZODLSUWGQVETFP-WDEREUQCSA-N 292.766 3.605 30 20 CHED Cc1cc(C#N)ccc1CSc1nnc(C(C)(C)C)[nH]1 186250957 RDMOOVPPVLFXGG-UHFFFAOYSA-N 286.404 3.575 30 20 CHED C=CC[C@@H](C(=O)N1CCc2sccc2C1)c1ccccc1 186369795 SDUPREYIBVCLJZ-MRXNPFEDSA-N 297.423 3.993 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCCOc2ccccc21 187838971 RPWXFCDQADKDCE-YOEHRIQHSA-N 273.376 3.619 30 20 CHED C=CCC[C@@H](C(=O)N(CC)CC1CC1)c1ccccc1 187926094 PFYBYMVIYBVGJQ-QGZVFWFLSA-N 271.404 3.995 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)c1ccc(OC)cc1 188450294 BIVVAWCZFHKBNI-KDOFPFPSSA-N 289.419 3.907 30 20 CHED N#Cc1cccc(COc2ccc([C@H]3CCOC3)cc2)c1 190288345 JURGMINZGAOMBA-KRWDZBQOSA-N 279.339 3.641 30 20 CHED C=CCC1(C(=O)N2CCCc3ccccc32)CCC1 191829930 XKNDYADHAMQFSU-UHFFFAOYSA-N 255.361 3.712 30 20 CHED COc1ccccc1C1(CN[C@@H]2CCC[C@@H](C#N)C2)CCC1 193287704 AAGJFVYTUFKERA-HZPDHXFCSA-N 298.430 3.789 30 20 CHED Cn1ccc2cccc(N[C@H]3CCC[C@H](C#N)C3)c21 193347446 LVKRQQJJXFXFML-JSGCOSHPSA-N 253.349 3.673 30 20 CHED CCC[C@H](C)CC(=O)Oc1c(Cl)cc(C#N)cc1OC 195215345 SDQXVBJUDFBDCT-JTQLQIEISA-N 295.766 3.952 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc(N(C)C)cc1 206253711 ZUVFNFAXAZJSPF-FLIBITNWSA-N 295.382 3.966 30 20 CHED Cc1cc(Oc2nccc(C#N)c2Cl)ccc1[N+](=O)[O-] 235902934 LIIWIYSBBYOWJW-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(C#N)s2)c1 255405326 KEBPRDPNSDVMLD-VURMDHGXSA-N 283.352 3.915 30 20 CHED Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc(C2CC2)n1 265373485 PDSDRJRUHDINKC-LBPRGKRZSA-N 278.359 3.707 30 20 CHED CC(C)N(CCCSCC#N)Cc1cccs1 266704613 GEEGLYNORKJQJE-UHFFFAOYSA-N 268.451 3.605 30 20 CHED Cc1cnc([C@@H](C)Nc2snc(Cl)c2C#N)s1 267419652 UIFYCDOJCNVLTQ-ZCFIWIBFSA-N 284.797 3.606 30 20 CHED CC1(C(=O)Nc2sc3c(c2C#N)CCCC3)CCC1 267436061 WIVCKHUNAUARQW-UHFFFAOYSA-N 274.389 3.627 30 20 CHED N#CCCCCN1CCCCC[C@H]1C[C@H](O)c1ccco1 268397266 STXCCPBXJDHEFM-HOTGVXAUSA-N 290.407 3.642 30 20 CHED C=CCC[C@H](CC)N[C@H](CCOC)c1ccco1 272513053 GQULQWXFVHMXTI-UONOGXRCSA-N 251.370 3.692 30 20 CHED Cc1ccc([C@@H](C)Nc2nccc(C)c2C#N)cc1[N+](=O)[O-] 273344919 OHTXITFDKMPOSQ-GFCCVEGCSA-N 296.330 3.651 30 20 CHED COC1(CNc2cc(C(C)=O)ccc2C#N)CCCCC1 274689892 JOXYJLGCMMPMNO-UHFFFAOYSA-N 286.375 3.522 30 20 CHED CC(C)(C#N)CCCCNC1(c2ccccc2)CC1 278763298 MTTJGIVPVCLJMO-UHFFFAOYSA-N 256.393 3.985 30 20 CHED CC(C)(C)CC(=O)Nc1cc(C#N)ccc1NC1CC1 281107548 GNBIHDDXFOVYON-UHFFFAOYSA-N 271.364 3.507 30 20 CHED Cc1ccccc1NCCCC1(C#N)CCOCC1 281163580 KTBASDXOEMVRFA-UHFFFAOYSA-N 258.365 3.508 30 20 CHED COc1cc(CN(C2CC2)[C@H](C)c2ccco2)ccc1C#N 282436642 UGQSNIDCDGWTCT-CYBMUJFWSA-N 296.370 3.885 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1Cc2cccc(Cl)c2C1 286686643 IELYVPNZSPSNNP-LLVKDONJSA-N 263.768 3.785 30 20 CHED C#CCCCCNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 286933967 GXNMMENUAONOJT-RDJZCZTQSA-N 284.403 3.583 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC[C@@H]2CCOC)cc1 287447888 LHICKPDJEQNJBU-AEFFLSMTSA-N 289.419 3.546 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccc(F)cc1O 287644379 USYAOFJAXBHIKO-NUTKFTJISA-N 293.382 3.553 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 290865474 IUZHBNFCZWHZMU-GOSISDBHSA-N 293.370 3.935 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)CCCC#N)cc1 292142750 OUMZRBZBUCGCCM-MRXNPFEDSA-N 270.376 3.743 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(C)(F)F)cc1 292359500 UVHXQJVQCYUIMP-UHFFFAOYSA-N 267.319 3.837 30 20 CHED C#CCOCSc1nc(C)c(C)n1C1CCCCC1 292754272 VZGFJUUBJKFXHP-UHFFFAOYSA-N 278.421 3.705 30 20 CHED N#Cc1csc(C(=O)NC[C@H](c2ccccc2)C2CC2)c1 294754447 ZJAWFOUWPKZELU-OAHLLOKOSA-N 296.395 3.543 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C)cc1Br 297788015 IFGRQHDKBHEMMK-UHFFFAOYSA-N 282.181 3.908 30 20 CHED CS[C@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)n2)C1 301299144 UALCEGBTSHUDLK-UWVGGRQHSA-N 281.812 3.693 30 20 CHED C[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C 301506279 ZZMLYIKYFDFARR-VHSXEESVSA-N 268.282 3.812 30 20 CHED CC(C)(O)c1ccc(CNc2ccc(C#N)cc2F)cc1 302394567 JYFUFEBXBGHTDH-UHFFFAOYSA-N 284.334 3.537 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@H]2CCO)cc1C(F)(F)F 302470070 UFFDGUGHZXNXOR-IINYFYTJSA-N 298.308 3.540 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1cccc(F)c1 303462570 OOOQTBBQTQJOKZ-UHFFFAOYSA-N 289.394 3.963 30 20 CHED CCc1cccc(N/C(N)=N/CCc2ccc(C)cc2)c1 304764143 XRUQVOJPSFVVQQ-UHFFFAOYSA-N 281.403 3.527 30 20 CHED N#Cc1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1F 307958733 IFVFUAIWDRRQTB-UHFFFAOYSA-N 286.350 3.852 30 20 CHED N#Cc1ccc(NC(=O)C2CCCCCCC2)cc1F 308136007 ZTIGUIRQHVKRSQ-UHFFFAOYSA-N 274.339 3.996 30 20 CHED Cc1cc(NCCc2ccc(Cl)s2)cc(C#N)n1 308275539 FSVLPGJVOUCOKS-UHFFFAOYSA-N 277.780 3.631 30 20 CHED N#Cc1cc(Cl)cc(OC/C(Cl)=C/Cl)c1 309049360 OOWWTBFMWKTURL-WTKPLQERSA-N 262.523 3.909 30 20 CHED C[C@H](CNc1cccc(CC#N)c1)c1ccccc1 313481168 QDAIGEFCNSIQMR-CQSZACIVSA-N 250.345 3.968 30 20 CHED CC1(C)CCC[C@@H](/C(O)=N/Cc2noc(C3CC3)n2)C1 328999264 VJEGFETZEWRHFJ-LLVKDONJSA-N 277.368 3.620 30 20 CHED OC1=Nc2cc(N=C(O)[C@H]3CCCSC3)ccc2CC1 329497016 GGDLMHIGAKBYPH-NSHDSACASA-N 290.388 3.952 30 20 CHED O=C1CC[C@@H](/C(O)=N/C2CCCCCC2)n2cccc21 329875418 GMLGDYZCAXVBQO-AWEZNQCLSA-N 274.364 3.685 30 20 CHED C=CCCc1ccccc1N=C(O)N1CCC(C#N)CC1 330420293 ZHKBLTRXDXWPLR-UHFFFAOYSA-N 283.375 3.586 30 20 CHED N#CCc1cccc(NC(=O)N[C@H]2CC23CCCCC3)c1 333156543 GNGCNJGEBLVYMY-HNNXBMFYSA-N 283.375 3.597 30 20 CHED N#CC1(c2nc([C@H]3CCC(F)(F)C3)no2)CCCCC1 334870870 CFBODOFUPFZFMY-JTQLQIEISA-N 281.306 3.698 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2cccc(C(C)(F)F)c2)no1 335156611 OXNKELJVGJCMPX-VFZGTOFNSA-N 289.285 3.649 30 20 CHED CSc1ccsc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 336141534 YEGKVQMBTUQHMZ-NSHDSACASA-N 294.445 3.624 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1cccc(Cl)c1 336165656 NTHMFQQRDQIBPQ-UHFFFAOYSA-N 290.775 3.940 30 20 CHED CC(C)N1CCC(N(C)CCCCC(C)(C)C#N)CC1 336828041 RLGMOALTHIUBBS-UHFFFAOYSA-N 279.472 3.511 30 20 CHED CCN(C(=O)CC(C)(C)CC)c1ccc(C#N)cc1 337981572 SLHQQLBTKUHEAY-UHFFFAOYSA-N 258.365 3.737 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1CC(C)C 338122066 SZABQBVPBYEMCQ-HNNXBMFYSA-N 270.376 3.517 30 20 CHED N#Cc1cc(N(C#N)Cc2csc(C3CC3)n2)ccc1F 340045593 PPCCHEKWMPDCTO-UHFFFAOYSA-N 298.346 3.519 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(C#N)cc(C)n1 342913183 SOZRUBBMGNPNGZ-PXAZEXFGSA-N 299.349 3.589 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCCc3ccc(F)cc32)c1 343534550 MWFDTXGGEIXCEV-LJQANCHMSA-N 294.373 3.907 30 20 CHED Cc1cccc([C@H](C)C(=O)NCC(C)(C)CCC#N)c1 345899375 FIGBFCQUUAGQEY-AWEZNQCLSA-N 272.392 3.545 30 20 CHED C=CCn1cccc1-c1nc([C@H]2C[C@H]3CC[C@H]2C3)no1 345901767 KVKAVRDHMJZXST-AVGNSLFASA-N 269.348 3.628 30 20 CHED C=CCCCCCN(C)C(=O)CCc1nc(C)cs1 346090846 LBBUKCHGHPGGOH-UHFFFAOYSA-N 280.437 3.589 30 20 CHED Cc1ccc(CSCCNc2nc(C)ccc2C#N)cc1 346857758 YYOGSMNBVVQADZ-UHFFFAOYSA-N 297.427 3.915 30 20 CHED C=CCN(CC(=O)c1cc(C)[nH]c1C)Cc1ccccc1 348005224 RZHXWMOJGUPEBP-UHFFFAOYSA-N 282.387 3.502 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1noc(CCC)n1 348243264 SSIQRGLBXOYMON-UHFFFAOYSA-N 285.391 3.600 30 20 CHED CCC1CCC(CNC(=O)NCC(C)(C)CCC#N)CC1 352088644 AQFQOUAZOPCXDU-UHFFFAOYSA-N 293.455 3.832 30 20 CHED C[C@H](CCN(CC#N)C1CCCC1)OCc1ccccc1 354904197 AVCABJSXTZKULU-MRXNPFEDSA-N 286.419 3.750 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCCC1(C)C 355306436 GBJXUAHFIGUITP-CQSZACIVSA-N 264.413 3.601 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2csc(CC)n2)CC1 356018340 YMCKAFCNYWQCGK-LLVKDONJSA-N 278.421 3.629 30 20 CHED C[C@H](Sc1ccc(C#N)cc1F)c1nc(C2CC2)no1 356060200 PDPCUESXQOBASP-QMMMGPOBSA-N 289.335 3.811 30 20 CHED C[C@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1(C)C 356787485 CQOCNGYZKONLOI-RDJZCZTQSA-N 298.430 3.969 30 20 CHED Cc1nnc(SC[C@@H]2CCc3ccccc32)c(C#N)c1C 358274731 VFGNVBKNZCBCOA-AWEZNQCLSA-N 295.411 3.787 30 20 CHED C=CCCc1nc(C2(c3ccccc3)CCC2)no1 358572266 CBHQTLBPZDTXPQ-UHFFFAOYSA-N 254.333 3.658 30 20 CHED CN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CCc2ccccc21 358735603 ONMLRLVHZYFCNK-MRXNPFEDSA-N 299.418 3.645 30 20 CHED CC(C)(C)C(C)(C)CNCc1ccc(C#N)s1 383965093 IAEBPZRPGJGCOS-UHFFFAOYSA-N 250.411 3.782 30 20 CHED C[C@H]1Cc2ccccc2N1Cc1ccc(C#N)c(F)c1 403985366 HBWWKGNRILJJEA-LBPRGKRZSA-N 266.319 3.649 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC1CC1 409446038 WQBAPIRTQJAUBG-DLBZAZTESA-N 254.377 3.558 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1cnc(C#N)c(Cl)c1 411034955 TXVKBENQLCFCCC-CQSZACIVSA-N 279.771 3.762 30 20 CHED COCC[C@H](C)CNc1ccc(C(F)(F)F)c(C#N)c1 413485950 AJARPLXQFVFYJD-JTQLQIEISA-N 286.297 3.662 30 20 CHED C[C@@H](CC(F)F)C(=O)Nc1ccc(Cl)cc1CC#N 415738387 SKPLDESIBCRVRY-QMMMGPOBSA-N 286.709 3.636 30 20 CHED CSc1cc(C)ccc1NC(=O)NCC1(C#N)CCC1 417244903 RQTDBGRXQYIOMP-UHFFFAOYSA-N 289.404 3.532 30 20 CHED N#Cc1cc(NC[C@H]2C[C@@H](O)C2)ccc1Oc1ccccc1 421203673 LEACUPSIHFOGMH-AKAXFMLLSA-N 294.354 3.533 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](C3CCCC3)C2)CCC1 421647298 UJHUCGOVWYOZLZ-OAHLLOKOSA-N 261.409 3.772 30 20 CHED C=CCc1cccc(F)c1OCc1nnc(C(C)C)o1 424095829 BHTPWUHZQAWXHF-UHFFFAOYSA-N 276.311 3.640 30 20 CHED C=C(CC)CN[C@H](Cc1ccncc1)c1cccs1 424329516 GQKOOUXIZWXFMH-OAHLLOKOSA-N 272.417 3.983 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)CC)ccc1O 424833990 PLRWTICKNZXVAV-UHFFFAOYSA-N 275.348 3.526 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]1c1ccsc1 425208861 QJNVCKAVWNCAAN-CYBMUJFWSA-N 299.355 3.869 30 20 CHED Clc1ccc(C#CCN2CC[C@@H]3CCC[C@H]32)cc1 426481500 ALLHCARHNUJYKP-GOEBONIOSA-N 259.780 3.566 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@H](C)C(F)(F)C1)c1ccccc1 427677021 IUTKPMLSXYPKKY-DZGCQCFKSA-N 293.357 3.850 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 431054371 CPMBJJDSXMMZFJ-ZWKOTPCHSA-N 294.398 3.913 30 20 CHED CC(C)[C@H]1N(c2nc(C(F)(F)F)ccc2C#N)CC1(C)C 431479073 VQJIRWIMDJMNFM-GFCCVEGCSA-N 297.324 3.843 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(F)ccc1C 432487961 BVEZLJFOAJEOQY-UHFFFAOYSA-N 264.344 3.858 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1Cc2cccc(O)c2C1 433042552 ZBIMIFCZJGNSGF-LSDHHAIUSA-N 259.393 3.584 30 20 CHED N#CCC[C@@H](Nc1ncc(Cl)cn1)c1ccccc1 439100712 RNSSZQRZIWSWGV-CYBMUJFWSA-N 272.739 3.587 30 20 CHED Cc1cc(NCc2ccc(C#N)c(C)c2)ccc1F 444002249 NBBOWHSJOGVLHU-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1ccc(F)c(CN(C)CCOc2ccc(C#N)cc2)c1 444741616 VIHOFOJGVPQKAK-UHFFFAOYSA-N 298.361 3.517 30 20 CHED CCC[C@H](CC(C)C)C(=O)N[C@@](C)(C#N)C(C)C 449232968 JWQSEASFPCCMDB-HIFRSBDPSA-N 252.402 3.503 30 20 CHED C=C(C)COc1cc(CNC2(CC)CC2)ccc1OC 449416469 UDOXQPFWUXKTDW-UHFFFAOYSA-N 275.392 3.682 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC/C=C/c1ccc(Cl)cc1 449548350 MPQWTTHAGISQFK-CFSAUIFESA-N 277.795 3.676 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 449923446 OFARNQWJGMSICT-CABZTGNLSA-N 281.758 3.663 30 20 CHED C=CC(C)(C)C(=O)NCc1cc(Cl)sc1Cl 450377898 LZLQXBMHGKBSFU-UHFFFAOYSA-N 278.204 3.883 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CC(F)(F)C1 450450854 HRUYXRVBVOZLQA-JKSUJKDBSA-N 290.357 3.803 30 20 CHED C=CCCN(C)C(=O)C1(Cc2cccc(Cl)c2)CC1 451257786 DFDOZZQBMDVXRW-UHFFFAOYSA-N 277.795 3.697 30 20 CHED C=C(C)CCN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 453314120 IJEIRLKMZXFKHO-SJORKVTESA-N 287.403 3.724 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OCC(C)C)cc1 453341864 DEKJIJRAISUGMH-OLMNPRSZSA-N 289.419 3.716 30 20 CHED CC[C@@H](CC#N)NCc1sc(C)cc1Br 453564878 HNSRFKKVPHARNG-VIFPVBQESA-N 287.226 3.601 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](C)c1ccc(C)cc1 454301814 NFQXCOURQGICFQ-ZDUSSCGKSA-N 260.381 3.567 30 20 CHED C=C[C@H](C)NC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 454658886 FKSYYOIVQGGEHJ-HOCLYGCPSA-N 284.403 3.888 30 20 CHED C[C@H](CC1CC1)NC(=O)Nc1ccc(CC#N)cc1Cl 455695222 ASNISZRSNXZCMA-SNVBAGLBSA-N 291.782 3.716 30 20 CHED C=CCC1(NC(=O)Cc2ccsc2)CCCCC1 456385044 RMERKZSETQAPTB-UHFFFAOYSA-N 263.406 3.686 30 20 CHED CCC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)C1CCC1 457836520 XSRXJPNZRQAPET-DYVFJYSZSA-N 299.418 3.887 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(C2CC2)cc1 459546288 UGHNRDOLBRAERL-ROUUACIJSA-N 271.404 3.635 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1Cc2ccccc2C1 460386532 KROFCPVFWLHEHM-AWEZNQCLSA-N 296.418 3.888 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(C)cc(C)n1 462730119 UOUKCRWUUKXESN-GFCCVEGCSA-N 261.369 3.565 30 20 CHED N#Cc1c[nH]c2ccccc2c1=NC[C@H]1CCc2ccccc21 462830497 XXKZVRYJLLKVFQ-OAHLLOKOSA-N 299.377 3.670 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ccc(F)cc1C#N 462864895 WZWXLDVCDYXICF-MLGOLLRUSA-N 290.382 3.951 30 20 CHED C=CCOCCCC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 463488939 GHDYVRAUZOENTF-HZPDHXFCSA-N 281.440 3.690 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 464752366 PHXPHEZWAGJBAG-BDAKNGLRSA-N 287.190 3.928 30 20 CHED C=CCOc1cccc(CN[C@H]2COc3ccc(F)cc32)c1 466455723 PAIXQRWYSURXRG-KRWDZBQOSA-N 299.345 3.614 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@H]2c2ccccc2)CC1 468368732 WJJYXXLOJDAVEF-PMACEKPBSA-N 298.474 3.953 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1Cc2ccccc21 470647669 ZQNUXIHGVSXENY-LJQANCHMSA-N 291.394 3.931 30 20 CHED C=CCOCCCN(C)[C@@H](C)c1ccccc1Cl 470720107 PFECEVIEYDTORY-ZDUSSCGKSA-N 267.800 3.926 30 20 CHED CC[C@H]1CN(CCCC#N)CC[C@H]1c1ccccc1 472251819 VRGLBHRHSNRLHG-DOTOQJQBSA-N 256.393 3.806 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc(C#N)ccc1C 473336161 WFXVPXZUTRDCMG-DGCLKSJQSA-N 273.380 3.813 30 20 CHED C=CCOc1ccc(OC[C@@H](O)CC2CCCC2)cc1 473774316 SDFJHIBYIBCEKL-HNNXBMFYSA-N 276.376 3.571 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC[C@H]1COCC 474726648 GEHYQWSVANXQFC-IRXDYDNUSA-N 289.419 3.546 30 20 CHED C=CCCC1(C(=O)Nc2cc(OC)c(C)cc2C)CC1 478572234 KOZGZLOJWNQCJV-UHFFFAOYSA-N 273.376 3.997 30 20 CHED N#Cc1ccc(F)c(CN(C#N)c2cccc(Cl)c2)c1 478748920 UMXJXPAXDGQVHP-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1nc2cccc(Cl)c2n1C 480672082 NZNRTKCAXFXPRJ-VXGBXAGGSA-N 291.826 3.917 30 20 CHED C=CCC[C@@H](O)CN1CC=C(c2cccc(Cl)c2)CC1 481774504 DQWPZBKXAZMDDC-QGZVFWFLSA-N 291.822 3.756 30 20 CHED CC1(C#N)CN(C(=O)CC2CCC(C(C)(C)C)CC2)C1 482587497 NYLRYXILACUWJH-UHFFFAOYSA-N 276.424 3.601 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccccc1)C(C)C 483973586 LOTIFFJZEUHUIS-HNNXBMFYSA-N 260.381 3.601 30 20 CHED C=CCn1cccc1C(=O)N1CCCSc2ccccc21 490064334 HZGNTQDHFLOOOM-UHFFFAOYSA-N 298.411 3.817 30 20 CHED N#Cc1ccc(NC(=O)/C=C/C2CCCC2)c(Cl)c1 493400240 ZDBCLFUQIFMQGU-SOFGYWHQSA-N 274.751 3.897 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 499316730 NYKWTXDFQBKDSV-UHFFFAOYSA-N 293.410 3.795 30 20 CHED N#Cc1ccccc1CN1CC[C@@H](Cc2ccccc2)C1 507664810 HZWSVMWQHUNSEG-KRWDZBQOSA-N 276.383 3.623 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@H](C(C)(C)C)C1 508871281 DUAYUYRHLQTQGQ-KGLIPLIRSA-N 290.455 3.850 30 20 CHED C=CCc1cc(CN2CCCC(C)(C)C2)cc(OC)c1O 510537245 HJTICPZTFGEAFQ-UHFFFAOYSA-N 289.419 3.751 30 20 CHED C=CC[C@H](C(=O)N1CCC(CCC#N)CC1)c1ccccc1 515485769 JIMBCHBYGIMUDP-SFHVURJKSA-N 296.414 3.889 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1cccc(C)c1 519116079 ASKQYBQXUHBFTF-CQSZACIVSA-N 275.417 3.676 30 20 CHED CCC[C@@H](OCC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 527869080 NNBIJAZNDAYANE-OAHLLOKOSA-N 288.391 3.631 30 20 CHED Cc1cccc([C@@H](NCc2ccc(C#N)cn2)C(C)C)c1 527892282 JMYBCJAXWWCSIT-SFHVURJKSA-N 279.387 3.749 30 20 CHED C=C1CCN(C(=O)c2cc3cscc3s2)CC1 528429672 KUXDFXPNAXBRBT-UHFFFAOYSA-N 263.387 3.755 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](SC)C1 537187707 UOPYNSKUOODLOJ-BFHYXJOUSA-N 284.469 3.705 30 20 CHED C=CCN(C(=O)C[C@@H](C)Cc1cccc(F)c1)C1CC1 537931284 KRFZVSCYUFZWBT-ZDUSSCGKSA-N 275.367 3.571 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccccc1CCC(F)(F)F 539927082 JOXUDZADSDBRAI-LBPRGKRZSA-N 298.308 3.604 30 20 CHED C=CCN[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 540379309 NGWXFPVURMBNPC-SFHVURJKSA-N 285.362 3.894 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](CC)CC1 540566874 SPJLHXATKQHZNZ-LSDHHAIUSA-N 266.429 3.953 30 20 CHED C=CCC[C@H](CC)NCCC1CCC(OC)CC1 541738807 PPDUANWLMJTDCM-PCKAHOCUSA-N 253.430 3.916 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(F)c(F)c1F 542282170 PDONXBYPGPQLLS-UHFFFAOYSA-N 297.320 3.531 30 20 CHED C[C@@H]1C[C@H](CCNc2ccc(C#N)c(Cl)c2)CCO1 543208587 SIODQMSLUVLXPV-VXGBXAGGSA-N 278.783 3.829 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3ccc(F)cc3C#N)C2)c1 544191809 KFXBOARORNLBMY-QGZVFWFLSA-N 294.373 3.995 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@H](C)C(C)(C)C2)c1 546056300 VKWXFPZPGOXCNS-LBPRGKRZSA-N 270.376 3.633 30 20 CHED C=C(CC)CN[C@@H](c1cncc(Br)c1)C1CC1 551419155 LGUINGCDGGJXIE-CQSZACIVSA-N 295.224 3.851 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc2ccccc2c1 553002935 QMNVBIUCQKBXSS-HUUCEWRRSA-N 269.388 3.675 30 20 CHED CCC[C@H](C#N)NC(=O)CCCC1CCCCC1 555134636 AXPFJQUVBZNUPH-CQSZACIVSA-N 250.386 3.545 30 20 CHED CC(C)CCc1noc(CSCCC(C)(C)C#N)n1 557495114 DGGXWIHECMFVMA-UHFFFAOYSA-N 281.425 3.831 30 20 CHED C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[C@H]1c1ccccc1 559105868 IRHVUKPYDCDGOV-JOCBIADPSA-N 268.404 3.804 30 20 CHED CCOc1ccccc1C(=O)Nc1scc(C)c1C#N 565684129 NPANYJSEKZPXII-UHFFFAOYSA-N 286.356 3.579 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)Cc2ccc(C#N)cn2)c1 566418892 NBQCOTVGBKAPLU-HNNXBMFYSA-N 279.387 3.763 30 20 CHED C=CCCCCN1CCC(c2ncc(C)s2)CC1 566778426 FKXHVCUDUXPRHY-UHFFFAOYSA-N 264.438 3.987 30 20 CHED C=CCC1(c2nc(-c3cocn3)no2)CCCCC1 567340110 GNYPGWYZKNPRBW-UHFFFAOYSA-N 259.309 3.503 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 571936228 UAMRDFIDQJIXSW-KGLIPLIRSA-N 288.366 3.899 30 20 CHED C=CCCCCNC1(c2ccccc2)CCOCC1 579076034 OPLVFTRIKANIIO-UHFFFAOYSA-N 259.393 3.638 30 20 CHED N#Cc1cnc(CN2CCC[C@@H]2CCC2CCCCC2)nc1 579698039 WXDZHKGEGNNBOG-QGZVFWFLSA-N 298.434 3.673 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2C[C@]2(C)CC)cc1 579854999 RKZHNJCKIAYQEN-BQFCYCMXSA-N 284.403 3.708 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCC2)ccc1Cl 580569226 FHWDKWOSUUTCRU-QWHCGFSZSA-N 274.751 3.586 30 20 CHED N#Cc1ccc(NC2(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 580806704 DHAMYZHMQYCGFU-UHFFFAOYSA-N 293.326 3.654 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cccc(C(C)(C)C)c1 582674803 YFLVZXMJOVEIOK-KRWDZBQOSA-N 272.392 3.652 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)CCCCCC#N)C1 588166055 NJQXSGDDZSTCHY-CQSZACIVSA-N 264.413 3.745 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@H](C2CC2)C1 588855070 PRMMJERSQMXVOC-LBPRGKRZSA-N 260.768 3.838 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(CC2CCC2)CC2CC2)c1 590859238 WXRRRLKZCRWCIO-UHFFFAOYSA-N 297.402 3.911 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(CC#N)c2)C1(C)C 590884355 QENVUGRNEOEETR-JKSUJKDBSA-N 282.387 3.930 30 20 CHED C=CCCCCSCc1ccc(S(C)(=O)=O)cc1 591392532 CNLSPSJPCVWVMX-UHFFFAOYSA-N 284.446 3.680 30 20 CHED CC(=O)N1CCCc2cc(-c3ccc(C)cc3C#N)ccc21 592987743 ANGMCWWVDNPWKK-UHFFFAOYSA-N 290.366 3.833 30 20 CHED CCOc1cccc(Cl)c1CN(C)CC(C)(C)C#N 593992898 HNRDYUKPGMRACT-UHFFFAOYSA-N 280.799 3.720 30 20 CHED COc1ccc([C@H](C)CSc2cccnc2C#N)cc1 594902516 PIBODHXIHUNVIN-GFCCVEGCSA-N 284.384 3.858 30 20 CHED C=CCC1(NCc2ccc(C#N)c(OC)c2)CCCC1 594986710 GVUWTGGYNDMYJH-UHFFFAOYSA-N 270.376 3.545 30 20 CHED N#CC[C@H]1CCCN(CCSc2ccc(F)cc2)C1 595612667 ZRRMKSKJTZRPKB-CYBMUJFWSA-N 278.396 3.543 30 20 CHED CCN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H](C)C#N 595818155 RXEICGFQZBJZQY-HNNXBMFYSA-N 289.382 3.959 30 20 CHED Cc1ccc(C#N)nc1NC[C@@H](c1cccnc1)C(C)C 596159913 RSGRHLUQYYQLQP-MRXNPFEDSA-N 280.375 3.508 30 20 CHED Cc1cc(C(=O)CSCCc2ccc(C#N)cc2)c(C)[nH]1 596380145 BXGDTYLPEBKLHL-UHFFFAOYSA-N 298.411 3.662 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N2CCC[C@H](CC#N)C2)C1(C)C 597901093 GIQZXBFDKDGJKE-VBQJREDUSA-N 276.424 3.601 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 597993784 DESUAWFHOUEBOU-MSOLQXFVSA-N 296.414 3.574 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](SCC)C(C)C)C1 597998407 NMAYLOOAATVLQN-UONOGXRCSA-N 269.454 3.579 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(C(C)(C)C)s1)C1CC1 598130880 IHIUFBNMPVXGHU-SNVBAGLBSA-N 276.405 3.562 30 20 CHED CCN(C(=O)c1ccc(C2CCCC2)cc1)[C@H](C)C#N 598363975 XROISZYJYHFUMZ-CYBMUJFWSA-N 270.376 3.718 30 20 CHED CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 598551134 QPOYRPPOSPQUKR-HNNXBMFYSA-N 284.403 3.606 30 20 CHED CCCC[C@H](C(=O)NCc1ccc(C#N)cc1)C(C)C 598659767 NIPHQWTVOAKSHN-INIZCTEOSA-N 272.392 3.637 30 20 CHED CC(C)(C#N)C[C@H](O)CN[C@H]1CCC[C@H](C(C)(C)C)CC1 598724098 MITGHXAQKPHPML-JYJNAYRXSA-N 294.483 3.872 30 20 CHED N#CCN(C(=O)C1[C@H]2CCCCCC[C@H]12)c1ccccc1 598808967 UAKAFJNRAYTLDR-HOTGVXAUSA-N 282.387 3.760 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc2cc(Cl)ccc2s1 598850342 YUHDAJKJSMNLJI-NSHDSACASA-N 292.791 3.929 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C2C[C@@H](C)C[C@H](C)C2)n1 598858241 KKCJNYAMZMPWCQ-QWRGUYRKSA-N 285.391 3.581 30 20 CHED C[C@H](CCC#N)CN1CCC(N(C)c2ccccc2)CC1 602452266 IADUBZXQVRETJH-MRXNPFEDSA-N 285.435 3.527 30 20 CHED COc1ccc(OC(C)C)c(NC[C@@H](C)CCC#N)c1 602493485 BIMULAMQGJQEPV-ZDUSSCGKSA-N 276.380 3.834 30 20 CHED C[C@H]1c2ccccc2OCCN1Cc1ccc(C#N)cc1F 609145837 RWHXRLAUBJVNLK-ZDUSSCGKSA-N 296.345 3.653 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCOc2ccccc2C1 609822932 VLRLIWVVGWBUAE-CQSZACIVSA-N 278.355 3.514 30 20 CHED C[C@@H](NC(=O)NCCC1CCCCC1)c1cccc(C#N)c1 610348766 BDVJJHURLOTCOO-CQSZACIVSA-N 299.418 3.889 30 20 CHED C[C@@H](NC(=O)CCCC(C)(C)C)c1cccc(C#N)c1 610363330 KCNPZACYYGIOEQ-CYBMUJFWSA-N 272.392 3.952 30 20 CHED C[C@H](C(=O)N(CCC#N)CC(C)(C)C)C1CCCC1 610521462 RZMAANGMZCEDGR-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 614529159 SUPZTXGYPOWVCQ-PKOBYXMFSA-N 296.414 3.889 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CCc2cc(F)ccc21 615285671 HAWLFUZISAWIHB-OAHLLOKOSA-N 275.367 3.574 30 20 CHED N#Cc1ccc(CNCc2ccccc2F)cc1Cl 619748344 IUPSKICDGQQZCP-UHFFFAOYSA-N 274.726 3.641 30 20 CHED C=CCC1(NCc2nnc(-c3ccco3)o2)CCCCC1 625937495 BTDNTBKWPAHLMA-UHFFFAOYSA-N 287.363 3.698 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1coc2ccc(C)cc12 626851636 SQTLRSNZKZPPCC-CQSZACIVSA-N 271.360 3.755 30 20 CHED C=CCN(Cc1cccs1)[C@H](C)c1cnc(C)nc1C 637872440 ZFTNTOSDSOHKFR-CYBMUJFWSA-N 287.432 3.904 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc3c2ccn3C)C1 665950348 KWGWHBCNABRBSW-CQSZACIVSA-N 297.402 3.998 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2oc(C(C)C)nc2c1 674985250 FMVYKOYLUBZVFQ-JTQLQIEISA-N 273.336 3.647 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCc2ccc(C)cc21 675154866 QJIQQRLZSWFMQC-QGZVFWFLSA-N 269.388 3.867 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)c1cnccc1C)c1ccccc1 681741054 HITOJDCZQIKOAZ-WBVHZDCISA-N 294.398 3.927 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 683788457 OIJVEMZHHRJUHE-FMKPAKJESA-N 287.403 3.903 30 20 CHED C=C(CN[C@@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 684112825 CTQOQRSQYPQEHF-ZWKOTPCHSA-N 295.430 3.749 30 20 CHED C#CCN(C(=O)c1cc(C)c(C)s1)C1CCCCC1 688795749 VSVIEPDETQKOIY-UHFFFAOYSA-N 275.417 3.773 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1ccc(Cl)cc1 695810211 LVIMPAWGUWTSLR-LBPRGKRZSA-N 264.800 3.800 30 20 CHED C#C[C@H](NC(=O)c1csc2ccccc12)C(C)(C)C 702235833 FDUYTDLOBPRLHF-AWEZNQCLSA-N 271.385 3.679 30 20 CHED C#C[C@H](N[C@@H](C)CCc1ccc(OC)cc1)C(C)(C)C 702250882 NWNHGSJZDGZJNV-YOEHRIQHSA-N 273.420 3.654 30 20 CHED C=CC[C@H](CC)NCc1c(O)cccc1Br 706880671 BNWKOWMRIRTUGY-JTQLQIEISA-N 284.197 3.599 30 20 CHED C#CCCCOC(=O)[C@@H](Oc1ccccc1)c1ccccc1 727040955 MZXJFKWSJACLOB-SFHVURJKSA-N 294.350 3.763 30 20 CHED C=C(C)COC(=O)c1c(NC(=O)C(C)C)sc(C)c1C 727525201 FDGBTWJAMQKRHK-UHFFFAOYSA-N 295.404 3.692 30 20 CHED CC(=NNc1cccc2cnccc12)c1scnc1C 728432621 ZMKBSXLHHWUPRP-UHFFFAOYSA-N 282.372 3.836 30 20 CHED CCC(=NNCCCOc1ccccc1)c1ccc(O)cc1 729148336 YQSIXJPMTOFUDG-UHFFFAOYSA-N 298.386 3.565 30 20 CHED C#CCCOC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 730921954 NTHGEKLFXQYMHA-IAGOWNOFSA-N 264.324 3.510 30 20 CHED CCc1ccc(C=NNc2ccccc2[N+](=O)[O-])s1 731150202 GJGKXJBVXPIYGS-UHFFFAOYSA-N 275.333 3.665 30 20 CHED C=CC[C@@H](NC(=O)c1ccccc1Cl)c1ccncc1 734234597 RJZICUMHTMUFRL-OAHLLOKOSA-N 286.762 3.782 30 20 CHED C=CC[C@H](NC(=O)N1CCCC[C@@H]1CC)c1ccncc1 734680179 SIYPHVZTFTXSGK-HOTGVXAUSA-N 287.407 3.673 30 20 CHED CCC/C(C)=C\C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 735793756 YCNXNLWBWKNEEN-PRWOLLLXSA-N 281.359 3.794 30 20 CHED C=C(Cl)COC(=O)c1cc(Cl)cc2cccnc12 735939654 REWXQYKRAFIAIB-UHFFFAOYSA-N 282.126 3.798 30 20 CHED Cc1cccc(S[C@H](C(=O)O)c2ccc(C#N)cc2)c1 738746327 HWNRENCFKIMHQC-HNNXBMFYSA-N 283.352 3.785 30 20 CHED COc1ccc(CNC[C@@H](C)C2CCCCC2)cc1C#N 742369291 RWUNYOGYWSYOPZ-CQSZACIVSA-N 286.419 3.873 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cc(C)ccc1O 743449873 GZVSUQRBCDFXJJ-UHFFFAOYSA-N 275.739 3.585 30 20 CHED CC[C@@H](/N=C/c1cc2ccccc2nc1O)C1CCOCC1 746391822 BHGCEDBVOGQTKN-PUMYGXPMSA-N 298.386 3.565 30 20 CHED O=C(C#Cc1ccccc1)N1CCC[C@@H]1c1ccc(F)cc1 747203373 WSBMXNIRTLMJNI-GOSISDBHSA-N 293.341 3.541 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc(C)ns1 749239586 GHTPGPMGGBOMMH-UHFFFAOYSA-N 267.398 3.662 30 20 CHED CC(C)CON=Cc1nc2cc(C(F)(F)F)ccc2n1C 749631727 PIPJHWLLGPDPQM-UHFFFAOYSA-N 299.296 3.599 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(Cl)n1 752696227 IEFUWBSUMRYPMD-JTQLQIEISA-N 267.760 3.601 30 20 CHED C#C[C@H](CC)NC(=O)N(CCC)[C@H](CC)c1ccccc1 753242374 CGPHGSXBLFYYCM-IAGOWNOFSA-N 286.419 3.971 30 20 CHED CCCc1sc(C(=O)O[C@H](C#N)CC)cc1CC 753421439 CVPXGFNBHIOUIP-NSHDSACASA-N 265.378 3.722 30 20 CHED C#C[C@H](CC)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 754357908 PXGHGXAZXJTSFM-MRXNPFEDSA-N 298.773 3.544 30 20 CHED CC(C)(C)SCCCC(=O)OCC1(CC#N)CC1 754537097 SMCXEBKSKYJQHR-UHFFFAOYSA-N 269.410 3.535 30 20 CHED Fc1ccccc1NN=Cc1cccc2[nH]ccc12 755627642 BWPIWKMRUDMESR-UHFFFAOYSA-N 253.280 3.753 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)c(Cl)c1 755689589 RAXUCOIDGKKAOG-DCAQKATOSA-N 291.738 3.858 30 20 CHED CCSc1ccc(C(C)=NN=C(C)c2cnccn2)cc1 755755146 VYSBVBBMOGYSHQ-UHFFFAOYSA-N 298.415 3.822 30 20 CHED Cc1ccnc(NN=Cc2ccccc2Br)c1 755904139 VZCMBWYOAFSYTR-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=CCC[C@@H](C)NCc1cccc(O[C@@H](C#N)CC)c1 756709296 KQJYUZUIFTVAJN-GDBMZVCRSA-N 272.392 3.812 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(COc2ccccc2)c1 757205627 BHGDXZZJZXSHLD-AWEZNQCLSA-N 296.370 3.962 30 20 CHED CCN(C(=O)c1cc(Cl)cs1)c1ccc(C#N)cc1 758494486 IDOYULMIVPOFSR-UHFFFAOYSA-N 290.775 3.940 30 20 CHED COc1cc(F)cc(NN=C2CCc3ccccc32)c1 759212984 SJGWCMQEZATBTE-UHFFFAOYSA-N 270.307 3.597 30 20 CHED N#Cc1cccc(NN=Cc2cc(F)cc3cccnc23)c1 760239633 NONUSRWIGQCVJM-UHFFFAOYSA-N 290.301 3.692 30 20 CHED Cn1cnc2cc(/C=C/C(=O)c3ccc(F)c(F)c3)ccc21 761199125 BUNKNASGGVNOOO-XVNBXDOJSA-N 298.292 3.748 30 20 CHED COc1cc(F)ccc1NN=C(C)c1cccs1 761883955 AMEPKDSNERGBFY-UHFFFAOYSA-N 264.325 3.732 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccc(C#N)s1 762447324 BFRCKWPQRCXNMX-UHFFFAOYSA-N 289.791 3.787 30 20 CHED C#CCN(C(=O)CC1CCC(c2ccccc2)CC1)C1CC1 763796795 IGEZYKWNGKXAEJ-UHFFFAOYSA-N 295.426 3.975 30 20 CHED C[C@H](C=NNc1ncnc2sc3c(c12)CCC3)CCC#N 765995374 RRTCBSYYEQAWFI-JTQLQIEISA-N 299.403 3.518 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2snc(Cl)c2C#N)C1(C)C 766111464 IPJYNQDQMIRUPM-VHSXEESVSA-N 299.827 3.672 30 20 CHED CCO[C@@H]1CCCC1=NNc1cccc(Br)c1 766432918 DTNBVXYJVJICBW-CYBMUJFWSA-N 297.196 3.806 30 20 CHED C#CCCCN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 766906637 SRVLFIUKEWLXBR-RBUKOAKNSA-N 285.431 3.768 30 20 CHED CCC(CC)NN=Cc1ccc(F)cc1Br 767782227 NBINPOOLQWYRKX-UHFFFAOYSA-N 287.176 3.700 30 20 CHED CCCCCCCCNC(=O)N1CCCC[C@@H](COC)C1 768413402 RKHHPXLDNXRXJT-MRXNPFEDSA-N 298.471 3.805 30 20 CHED C=CCN(Cn1nc(-c2cccs2)oc1=S)C1CC1 771640698 QPECCPUTAXWQQN-UHFFFAOYSA-N 293.417 3.542 30 20 CHED CCCCCCCCCCC(=O)N1CCC(CO)CC1 771759733 WXYIDKIXRQSPHI-UHFFFAOYSA-N 283.456 3.748 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCC1(C)C 771965413 FGUKRRXBSRQPAA-INIZCTEOSA-N 287.378 3.614 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2C[C@@]2(C)C(C)C)c1 772965635 APRFGAHKLMNQGQ-AEFFLSMTSA-N 269.388 3.703 30 20 CHED C=C(Cl)CN[C@@H](C)c1cccc(OC(F)(F)F)c1 773003636 FXAJDOPAIRWHER-VIFPVBQESA-N 279.689 3.988 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](CC)[C@@H](O)c1c(F)cccc1F 773028930 IODIXWHENUTELQ-WXRXAMBDSA-N 297.389 3.967 30 20 CHED Cc1cccc(C(=O)O[C@@H](C#N)C2CCCCC2)c1C 776361022 IHXGXPDQDVWVLM-INIZCTEOSA-N 271.360 3.933 30 20 CHED COc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)c(C)c1 776390222 UDVNSXVPFVENIZ-MRXNPFEDSA-N 287.359 3.633 30 20 CHED CC(C)OCCNN=C1C[C@H](C)C[C@@H](c2ccccc2)C1 778553274 AKBAKUGSGMOPFT-NVXWUHKLSA-N 288.435 3.961 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C)C3(CCC3)C2)cc1 779603794 BQHXLFSAAUGQBP-HZPDHXFCSA-N 298.430 3.990 30 20 CHED Cc1ccnc(Cl)c1OCc1ccc(OCC#N)cc1 779643790 ZOVGNIHNYFDXBS-UHFFFAOYSA-N 288.734 3.525 30 20 CHED C#CCCCCCC(=O)NC[C@H](C)Sc1ccccc1 779925832 PQMUDQMFSJQNML-HNNXBMFYSA-N 289.444 3.867 30 20 CHED CCc1ccc(C(C)=NN[C@@H]2CCOC(C)(C)C2)cc1 780251398 BQHOGQUMDHEJJD-MRXNPFEDSA-N 274.408 3.520 30 20 CHED Clc1cncnc1NN=Cc1cc2ccccc2s1 780278926 GDFKBEHIBYNEDV-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=C(Br)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 780522701 INVABLUYLXBSCZ-LSDHHAIUSA-N 294.236 3.896 30 20 CHED Fc1ccc(NN=C2CCC[C@H](C(F)(F)F)C2)nc1 783516842 PCZGBWOAMFYKFR-QMMMGPOBSA-N 275.249 3.741 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNCc2ccc(C#N)cc2)C1 783856843 LFOUJPBJTJGYSQ-RHSMWYFYSA-N 269.392 3.850 30 20 CHED CCC(CC)C(=O)OCc1ccc(C#N)cc1Cl 784209184 MUXPXKPIQWFQLV-UHFFFAOYSA-N 265.740 3.691 30 20 CHED CCCCCCC(=O)N[C@@H]1CCc2cc(C#N)ccc21 786383046 HOANBHXRQBFXNB-MRXNPFEDSA-N 270.376 3.632 30 20 CHED CC#CC(=O)N[C@H](CCc1ccccc1)c1ccccc1 788284340 YADRTBOBNZXJRA-GOSISDBHSA-N 277.367 3.500 30 20 CHED OC[C@@H](NN=Cc1cc2ccccc2s1)c1ccccc1 788455764 NXCLCPVNKGDQAG-MRXNPFEDSA-N 296.395 3.558 30 20 CHED CC[C@@H](C)NN=Cc1ccc(-c2ccccc2F)o1 790190719 PVROBTMKVYESPN-LLVKDONJSA-N 260.312 3.808 30 20 CHED C#C[C@@H](CCC)NC(=O)C(c1ccccc1)c1ccccc1 791202085 WKATYZIRQOFEGW-SFHVURJKSA-N 291.394 3.737 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1 792925116 ISFVHHIYMGZEIB-CMDGGOBGSA-N 299.395 3.654 30 20 CHED C[C@@H](NN=C1CCC(C(=O)OC(C)(C)C)CC1)C(C)(C)C 793115059 PBQVBWIUHKFRLM-PZORYLMUSA-N 296.455 3.899 30 20 CHED C#CCCCC(=O)NC(C)(C)c1ccc(OCCC)cc1 794358417 XBVAEFHMONTIRX-UHFFFAOYSA-N 287.403 3.630 30 20 CHED CC(C)[C@H](C=NOC1CCCC1)CNC(=O)OC(C)(C)C 794526421 LSMZVZAMTMXQHL-ZDUSSCGKSA-N 298.427 3.728 30 20 CHED C[C@H]1CC(=NNc2ncccc2F)c2ccsc2S1 794990964 RZZRIHOMWPLKGX-QMMMGPOBSA-N 293.392 3.983 30 20 CHED Cc1c(C(=O)OCCCF)sc2ccc(C#N)cc12 796614754 KXQBJIOXGMRWPO-UHFFFAOYSA-N 277.320 3.598 30 20 CHED Cc1csc([C@H](C#N)C(=O)Cc2coc3ccccc23)n1 796739901 VKZVRKYRUASYSH-CYBMUJFWSA-N 296.351 3.617 30 20 CHED C=CCOC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 796839079 MEKSJNBIYOQVJQ-UHFFFAOYSA-N 299.292 3.648 30 20 CHED C=CCC[C@@H](NCc1cc(C)cc(Cl)n1)C1CC1 800493750 AJBPKSHLJAABFM-CQSZACIVSA-N 264.800 3.878 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(CC)CCO[C@@H](C)C#N 801924543 WSMUXLJLOAOPSU-WMZOPIPTSA-N 288.435 3.567 30 20 CHED CC[C@@H](C)CCC(=O)[C@H](C#N)c1cnc2ccccc2n1 802814073 UDBPEVCCPHXQOO-CHWSQXEVSA-N 281.359 3.632 30 20 CHED C[C@H](OC(=O)c1cc(C#N)ccn1)c1ccc(Cl)cc1 803850107 CAWXURCPTSTXBM-JTQLQIEISA-N 286.718 3.525 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(C(F)(F)F)s1 803863863 BEEQSIAVPKMYAK-UHFFFAOYSA-N 291.294 3.864 30 20 CHED C#C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1F 804423816 ZKRVKWFBLYCEQT-XHDPSFHLSA-N 291.753 3.626 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)CCCCCC#N)[C@@H]1C 805911877 USOQLSOYQTVLCZ-MGPQQGTHSA-N 251.370 3.828 30 20 CHED CC[C@H](NCC1(CC#N)CC1)c1cccc(Cl)c1O 806164520 VSWFBBBDHREWFS-ZDUSSCGKSA-N 278.783 3.780 30 20 CHED CCCCCOc1ccc(C(=O)/C=C/c2cnccn2)cc1 809152751 KOZBUBHYYAPDJJ-JXMROGBWSA-N 296.370 3.942 30 20 CHED C#Cc1ccc(CN[C@@H](C)[C@@H](OC)c2ccccc2F)cc1 809631972 KNCMDJMBJMSJJS-IFXJQAMLSA-N 297.373 3.673 30 20 CHED CC[C@H](CSC)N(C)Cc1ccc(O[C@H](C)C#N)cc1 809767002 DIQNKYUPYUHCCF-UKRRQHHQSA-N 292.448 3.551 30 20 CHED N#Cc1ccc(/C=C2/Oc3cccc(Cl)c3C2=O)s1 811697704 FFDSIDOKOMAZSQ-WUXMJOGZSA-N 287.727 3.889 30 20 CHED C#CCON=C(C)c1ccc(OCc2ccccc2)cc1 812234289 WNTMPQZJBYUTFI-UHFFFAOYSA-N 279.339 3.639 30 20 CHED COc1cc(Cl)c(C=NOC2CCC2)cc1Cl 812237414 ZEDLIIDQEIXTJX-UHFFFAOYSA-N 274.147 3.905 30 20 CHED CCc1ccsc1C(=O)Nc1nc(Cl)c(C#N)s1 813371095 WONFMJLGNDNGBL-UHFFFAOYSA-N 297.792 3.544 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1C[C@H](c2ccc(F)cc2)C1 814183464 IYIWUNPUBZARQB-QXXLARBCSA-N 299.345 3.905 30 20 CHED Cc1c[nH]nc1C=NN(Cc1ccccc1)c1ccccc1 814685098 BPQLFJKKTAXQQW-UHFFFAOYSA-N 290.370 3.759 30 20 CHED COCC(Cc1ccccc1)=NN[C@@H](C)c1ccccc1 814815395 WKMJRPVDDUHHHL-HNNXBMFYSA-N 282.387 3.582 30 20 CHED CCC(=NOC/C=C\Cl)c1ccc(F)cc1F 814933958 GUAURXBHYWOLCH-DSWLTXPOSA-N 259.683 3.848 30 20 CHED C=CCCCOC(=O)c1ccc2cc(C)ccc2n1 815395832 JRGGVTWNAHYXHG-UHFFFAOYSA-N 255.317 3.666 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccc2sccc2c1 816746920 QQBXJNLAYLWYQB-UHFFFAOYSA-N 281.327 3.729 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)c(OC)c(F)c1OC 821729963 AVRAGFZSTJYPDB-VIFPVBQESA-N 299.317 3.523 30 20 CHED C=CCCCCN1CCC[C@H]1C[C@H](O)c1cccs1 828012210 KBZGXJKFDZVPKE-GJZGRUSLSA-N 279.449 3.992 30 20 CHED C=C[C@](C)(CC)C(=O)N(OC)[C@@H](C)c1csc(C)n1 833743995 RTTPVAJBZVZPJD-IINYFYTJSA-N 282.409 3.505 30 20 CHED Cc1cc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)cs1 834447108 HXCUVZJILSGYTA-SREVYHEPSA-N 288.416 3.984 30 20 CHED C=CCCCCNc1cc(F)c(OC)c(F)c1OC 834653620 APSANDSBGMNYKR-UHFFFAOYSA-N 271.307 3.750 30 20 CHED C#CCCCCCc1nc(C2(OC)CCCCC2)no1 834811494 TVUSBKZZLBIFBU-UHFFFAOYSA-N 276.380 3.612 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1C 834877767 LQTADMLQYZIGEX-UTCJRWHESA-N 294.350 3.835 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)c1ccc(F)cc1Cl 835142475 JBTFLEHJVNXPNM-IUPBHXKESA-N 298.741 3.674 30 20 CHED C=CCN(C(=O)Nc1ccc2c(c1)CCCC2=O)C(C)C 836711359 PSZUETHLFHANJR-UHFFFAOYSA-N 286.375 3.634 30 20 CHED CC(C)(C)C#CC(=O)N[C@H](c1ccccc1)C(C)(C)C 837353139 HNJJRIYRWXXBND-MRXNPFEDSA-N 271.404 3.940 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(OC2CCC2)c(F)c1 837454522 DELDEZOSOYNEDZ-UHFFFAOYSA-N 289.350 3.745 30 20 CHED C[C@@H]1CC[C@H](C(=O)OCCCC(C)(C)C#N)C[C@H]1C 837822726 ANMNHNWPGNMKGR-MCIONIFRSA-N 265.397 3.932 30 20 CHED C#CCC[C@@H](C)OC(=O)CCc1cc(Cl)cs1 839038538 IJJYEHNCAFDLQY-SNVBAGLBSA-N 270.781 3.679 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(F)cc1F 839052972 KBWZDDMLZVXSSY-GHMZBOCLSA-N 279.286 3.512 30 20 CHED CC(C)(C#N)c1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839060839 YXUSACVWICUBLO-XJKSGUPXSA-N 296.370 3.727 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccccc1O[C@@H](C)C#N 839322096 RORRZJDUOXRNBE-KBPBESRZSA-N 288.391 3.988 30 20 CHED C=CCC1(NC(=O)c2ccccc2OCC#N)CCCCC1 839418327 PBFCYCYUJAXVGH-UHFFFAOYSA-N 298.386 3.598 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)CCO2 840784551 CEJBOCZSPNYCJO-OAHLLOKOSA-N 272.392 3.602 30 20 CHED Cc1nc2ccc(COC(=O)CC(C)(C)C#N)cc2s1 842855617 PUQMBZXENHYRDX-UHFFFAOYSA-N 288.372 3.588 30 20 CHED CO[C@H](C#N)c1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 844226669 IRNGOTBHOKRPSS-KPZWWZAWSA-N 279.339 3.888 30 20 CHED C=C[C@@H](C)ONC(=O)/C=C(\C)c1ccccc1C(F)(F)F 846545258 FTCDJQAURQTNLS-PBQZMEPESA-N 299.292 3.731 30 20 CHED CC[C@@H](OC(=O)[C@H](C)Cc1ccc(C#N)cc1)C(F)(F)F 847721423 HHOYPEBIXGHQBJ-ZWNOBZJWSA-N 299.292 3.621 30 20 CHED C=CCCN[C@@H](C)c1cc(Cl)c(Cl)cc1O 850501364 AXMDGNBGPZFOHP-QMMMGPOBSA-N 260.164 3.926 30 20 CHED C=C[C@H](OC(=O)CCCc1cccnc1)C(C)(C)C 851007742 CPGAPHCZPDSFNQ-AWEZNQCLSA-N 261.365 3.548 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C1CCN(C2CC2)CC1 851143292 KKTJLEIQDVWBDG-RHSMWYFYSA-N 291.435 3.539 30 20 CHED FC(F)(F)[C@@H]1CCC[C@H](C=NNC2CCCC2)C1 853301514 GCTPRQLRNXDKGX-WDEREUQCSA-N 262.319 3.873 30 20 CHED C[C@@H]1CCCCN1N=Cc1sccc1Br 853379920 OBKGCMJXMRZKMI-SECBINFHSA-N 287.226 3.719 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(Cl)c(Cl)[nH]1 856374227 SIXONTXBKVZSSK-UHFFFAOYSA-N 275.179 3.796 30 20 CHED C=CCCNC(=O)[C@H](CC)c1ccc(Br)cc1 862170378 MSBOAANCIBHGEJ-CYBMUJFWSA-N 296.208 3.635 30 20 CHED CCCC(=NOCCOC)c1cc(C)sc1C 863100110 NQEUCKUIZQCOCY-UHFFFAOYSA-N 255.383 3.532 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(-n3cccn3)cc2)c1 874083741 QHFIZNCOUSZRKG-UHFFFAOYSA-N 290.370 3.935 30 20 CHED N#CC1(CCN2CCC[C@@H](CF)C2)CCCCC1 880237882 JWUFHDONHZXYPM-AWEZNQCLSA-N 252.377 3.532 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C(F)F)cc1 885577664 JBXKMIIGYJTBPO-JTQLQIEISA-N 269.291 3.544 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C#N)c1ccc(CC)cc1 890943724 BYHDPOQGOYRBCK-HNNXBMFYSA-N 270.376 3.532 30 20 CHED N#Cc1cnc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)s1 896489042 LQOCHVMZULGGOG-CYZMBNFOSA-N 289.404 3.560 30 20 CHED C=C1CC(c2noc(-c3cc(SC)oc3C)n2)C1 896873483 AYLOQGXSXHZCPM-UHFFFAOYSA-N 262.334 3.794 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(-c2cnco2)cc1 898064102 XCQVWICVONZQNY-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C=CCCC[C@H](N)c1nc(Cc2cccc(Cl)c2)no1 900003779 PEEORKDJSYPTRD-ZDUSSCGKSA-N 291.782 3.670 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)N(O)Cc2ccc(F)cc2)C1(C)C 900096224 WGNRDZIAGSNZMM-LSDHHAIUSA-N 291.366 3.782 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1cc2n(n1)CCC2 901560939 KABONJHYILRDPG-KTKRTIGZSA-N 296.370 3.513 30 20 CHED CC[C@H](NCc1ccc(C)c(C)n1)c1cccc(C#N)c1 903018046 WEUMRKVTTMDHBU-SFHVURJKSA-N 279.387 3.811 30 20 CHED C=CCCC[C@H](N)c1nc(-c2occc2C(C)C)no1 904723234 BDUBVUAZTVLIJF-LBPRGKRZSA-N 275.352 3.809 30 20 CHED CCOc1ccc2ccccc2c1C(=O)N(C)[C@H](C#N)CC 906006144 HPMUIAZBQOWPAN-AWEZNQCLSA-N 296.370 3.613 30 20 CHED CCCCNN=Cc1csc(-c2cccc(OC)c2)n1 915966294 OWLDAKZAHOBJJK-UHFFFAOYSA-N 289.404 3.542 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2ccc3c(c2)OCCO3)c1 916138420 NMPPJAQWOFFGKI-ALCCZGGFSA-N 294.350 3.971 30 20 CHED COc1ccc(Cl)cc1C=NNc1cccc(C#N)c1 917544511 IEMPTSCEFKUNOH-UHFFFAOYSA-N 285.734 3.666 30 20 CHED COc1ccc(C(C)=NNc2ncccc2Cl)cc1F 917545942 CKBNUTJORIBZSM-UHFFFAOYSA-N 293.729 3.719 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2cccc3c2CCCC3)o1 917553041 QSDYHTDHMOTQOQ-UHFFFAOYSA-N 285.303 3.513 30 20 CHED Cc1nc(C#N)c(NN=Cc2c(Cl)cccc2Cl)o1 917555895 WMJVVNRTJRNLBZ-UHFFFAOYSA-N 295.129 3.608 30 20 CHED COc1ccc(C(C)=NNc2ccc(C)cc2)cc1F 917565719 PBLJRLNJBHFIRP-UHFFFAOYSA-N 272.323 3.979 30 20 CHED CCCCCCCOC(=O)c1cn2ccc(C)cc2n1 918493153 HADABMXVLYNAQM-UHFFFAOYSA-N 274.364 3.770 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)/C=C\c1cc(C)c(C)cc1C 918599180 MZAOGNCQPLOSIA-WSROAFLRSA-N 284.403 3.633 30 20 CHED COc1ccccc1/C=C1\Cc2c(F)cccc2C1=O 921263544 FYDRUIQPILWTDW-FMIVXFBMSA-N 268.287 3.657 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(F)cc1F 924544938 LJWYDYSKPXCZRH-MNOVXSKESA-N 266.335 3.944 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCOc2c(F)cccc21 926112153 NASMPSSENMXYNB-IUODEOHRSA-N 290.382 3.957 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnc(Cl)cc1C 934908542 HHTQKWOSTXWRJB-JTQLQIEISA-N 252.745 3.584 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 935412958 VYTKAGUGXYKTNN-PVAVHDDUSA-N 287.403 3.625 30 20 CHED C=CCOCCN1C[C@@H]2CCCC[C@@]21c1ccccc1 1117788124 HFCVSEHIOQFULI-ZWKOTPCHSA-N 271.404 3.590 30 20 CHED Cc1cccc2c(C(=O)N[C@H](C#N)C3CCCC3)coc12 1119446804 XWOROERHRDNYCV-OAHLLOKOSA-N 282.343 3.553 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@@]2(C1)CC2(F)F)c1ccccc1 1123920883 FIBIUJMIHODHCE-ZBFHGGJFSA-N 291.341 3.604 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccc(C#N)cc1 1125599341 LBOKFRYGWAKOAY-OLMNPRSZSA-N 298.430 3.996 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H]1CCC[C@@H](C)CC1 1128187295 LXZMNGRYDJHGQD-DOMZBBRYSA-N 270.376 3.565 30 20 CHED Cc1ccc2ccccc2c1CN1CCC[C@@H](C#N)C1 1142384002 VOCPMSFNVBSODF-HNNXBMFYSA-N 264.372 3.884 30 20 CHED CCCN(c1ccnc(C#N)c1)[C@@H](C)c1ccccc1OC 1162286640 WJXWSIYMVUVVIS-AWEZNQCLSA-N 295.386 3.939 30 20 CHED Cc1cc(CN[C@@H]2CCCC(C)(C)C2)ccc1C#N 1178505696 VSFYGAUIPHXGBW-MRXNPFEDSA-N 256.393 3.925 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2ccccc2)c1 1185027615 UQWMJXWUARRHKU-CYBMUJFWSA-N 279.343 3.749 30 20 CHED C=Cc1ccccc1NC(=O)NCc1ccc(C#N)cc1 1219814761 JZAVLMABRCPGMS-UHFFFAOYSA-N 277.327 3.523 30 20 CHED C=CCCO[C@@H](C)c1nnc(-c2cc(C)cs2)o1 1261844470 PMKIITOOLCSIIP-JTQLQIEISA-N 264.350 3.760 30 20 CHED CCc1ccc(CCC(=O)Nc2cc(F)cc(C#N)c2)cc1 1287795996 DGZIPHNYBXQTTM-UHFFFAOYSA-N 296.345 3.831 30 20 CHED CCC[C@@H](NCc1ccc(C#N)c(OC)c1)C(C)(C)C 1308409889 XCHSYXSGSJNZJV-MRXNPFEDSA-N 274.408 3.871 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@@H]3CCCC[C@@H]3C2)c1 1320220598 QWRBETWAAGXCLK-WMLDXEAASA-N 282.387 3.777 30 20 CHED CC#CCCCc1nc(-c2cc3ccccc3o2)no1 1323624481 FQNRDORXCBGJCM-UHFFFAOYSA-N 266.300 3.829 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)CC#Cc2ccccc2)C1 1323873650 YYMFRMJZFXQFNP-QZTJIDSGSA-N 283.415 3.759 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1nnc(C2CCCC2)o1 1324048848 HLSIVTMRUFBVGP-NSHDSACASA-N 283.331 3.739 30 20 CHED Cc1ccnc(CSCc2cccc(C#N)c2)c1 1324514213 XTFFSIWENPWEOD-UHFFFAOYSA-N 254.358 3.695 30 20 CHED C[C@]1(NC(=O)c2csc(C#N)c2)CCCc2ccccc21 1325165824 KSYJOVYFCOEDJR-KRWDZBQOSA-N 296.395 3.601 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1csc(C#N)c1 1326473058 PGJLKZGZOAXDLB-SNVBAGLBSA-N 264.394 3.564 30 20 CHED Cc1ccc(N(C)C(=O)c2cccc(C#N)c2C)cc1C 1327100614 BURMGWDXANOPPM-UHFFFAOYSA-N 278.355 3.760 30 20 CHED Cc1cn(CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)c2ccccc12 1331158114 PHKJBGIXEPHKKQ-HUUCEWRRSA-N 296.370 3.575 30 20 CHED Cc1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1 1336720559 HIPPTPODSUUZQJ-CQSZACIVSA-N 258.365 3.506 30 20 CHED CCC[C@@H](Cc1ccccc1)Nc1cccc(CC#N)n1 1338243933 OCBKQODSBOYTHK-KRWDZBQOSA-N 279.387 3.971 30 20 CHED C=C(C)CCC(=O)N(c1ccccc1C#N)C1CCC1 1340784479 YTQBNHZGISZZQQ-UHFFFAOYSA-N 268.360 3.800 30 20 CHED N#Cc1cccc(Sc2ncc(-c3ccccc3)o2)n1 1341155375 OMQUFLGPQBQNBC-UHFFFAOYSA-N 279.324 3.759 30 20 CHED C=C[C@@H](C(=O)NC(C)(C)c1ccc(C)nc1)c1ccccc1 1346560952 HMDZUQMCECZLOF-QGZVFWFLSA-N 294.398 3.711 30 20 CHED C=C(CC(C)C)C(=O)N1CCCc2cc(OC)ccc2C1 1348784249 ZENXTHQUVPLYBS-UHFFFAOYSA-N 287.403 3.572 30 20 CHED N#Cc1ccc(NC(=O)c2cc3ncccc3o2)cc1Cl 1352436182 WXTLBNGYJROOKS-UHFFFAOYSA-N 297.701 3.605 30 20 CHED C[C@@H](C(=O)NCc1cccc(C#N)c1)c1ccc(Cl)cc1 1355467214 LZTLYJJUQXNDMK-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C=C1CC(c2noc(-c3cc(Cl)ncc3C)n2)C1 1356080015 VAMMGOXMDNEILV-UHFFFAOYSA-N 261.712 3.527 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cc3c(F)cccc3s2)C1 1357612503 XSTOOVNQAJAIBY-UWVGGRQHSA-N 289.331 3.889 30 20 CHED N#Cc1cccc(SCC(=O)[C@H](C#N)c2ccccc2)c1 1458978090 IIECTVCEVQHKBG-MRXNPFEDSA-N 292.363 3.527 30 20 CHED CN(C)c1ccc(F)cc1CNc1cc(F)cc(C#N)c1 1461691790 JNPUOYWRIUGXQR-UHFFFAOYSA-N 287.313 3.515 30 20 CHED CCCCc1ccc(C(=O)N(CC)[C@H](C#N)CC)cc1 1463055130 INLYPFYPNWICPA-INIZCTEOSA-N 272.392 3.793 30 20 CHED CCN(C[C@@H](C)CSc1ccccc1C)[C@@H](C)C#N 1473669620 RSWNOZIWVVXCPI-HIFRSBDPSA-N 276.449 3.957 30 20 CHED Cc1ccc(F)cc1[C@@H](C)OC(=O)c1ccc(C#N)o1 1521228311 FIBMDLUXXYNYHH-SNVBAGLBSA-N 273.263 3.517 30 20 CHED C[C@H](C(=O)O[C@@H](CC#N)c1ccco1)c1cccs1 1526994100 ZPSJPCBYCWWQIT-JQWIXIFHSA-N 275.329 3.643 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)Cc1cccc(C#N)c1 1535170009 KJOXNUMOXUTZOH-KRWDZBQOSA-N 284.403 3.528 30 20 CHED CC(C)CN(CCC#N)Cc1cccc2c1CCC2 1560718217 MNZHBWPPPCAYON-UHFFFAOYSA-N 256.393 3.547 30 20 CHED O=C(O)c1cccc(NN=C2CC[C@@H]2C2CCC2)c1F 1602446967 YBFNRBFYYPKODQ-SNVBAGLBSA-N 276.311 3.502 30 20 CHED Cc1nsc(N(C)C2CCC(C)(C)CC2)c1C#N 1612102184 KNBAAUFISFRGAK-UHFFFAOYSA-N 263.410 3.728 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1nc2cnccc2s1 1614700319 WOEJGNMMSYCZBZ-GFCCVEGCSA-N 297.408 3.918 30 20 CHED Cc1cc(N(C)Cc2ccc(C#N)cc2)nc(C2CCC2)n1 1654954962 HESDIFMPBKTSDA-UHFFFAOYSA-N 292.386 3.561 30 20 CHED CCc1ccc([C@@H]2CCN(CC3(CC#N)CC3)C2)cc1 1658805851 XBGSLUHABLCPKB-QGZVFWFLSA-N 268.404 3.732 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2ccc(C)c(F)c2)c1 1672285157 GMDNYNGJZNGGOP-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 1678225606 RGIZXAHJMDFZQZ-XHDPSFHLSA-N 289.354 3.788 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)c1cc(C)cs1 1776077057 SMUUQWLFCBIWHL-UHFFFAOYSA-N 292.335 3.730 30 20 CHED Cc1c(NN=C2C[C@@H](C)C[C@@H](C)C2)cccc1C(=O)O 1776087637 NEGJWSLCRUQGOD-PHIMTYICSA-N 274.364 3.917 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1ccc([C@H](C)CC)cc1 1776148277 BXJGNEOCACPIGH-CJNGLKHVSA-N 275.392 3.709 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1ccccc1O 16998607 DXWDXKXZKZQFAW-YMSJWGFRSA-N 250.297 3.845 30 20 CHED N#Cc1ccc(NCc2c(F)c(F)c(F)c(F)c2F)cc1 17524535 KOLJQEPBLLQUKC-UHFFFAOYSA-N 298.214 3.866 30 20 CHED N#Cc1ccc(NCc2ccc(F)cc2Cl)cc1 20053198 VDYNBBAYEMSZRX-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1cccc(F)c1 20148056 ZGZMTDJHICXWQN-AWEZNQCLSA-N 283.346 3.689 30 20 CHED Cc1cccc(OCCC(=O)Nc2ccccc2C#N)c1C 20261465 ZWNWVNSBBQLLIC-UHFFFAOYSA-N 294.354 3.583 30 20 CHED Cc1ccc(CCCNC(=O)c2cccc(C#N)c2)c(C)c1 24389029 ACZALEZVRYGRHJ-UHFFFAOYSA-N 292.382 3.538 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(O)c(OC)c2)s1 26764901 DTSVSSMYXRYFSU-VMPITWQZSA-N 288.368 3.921 30 20 CHED CN(Cc1cc(C#N)ccc1F)[C@@H]1CCc2ccccc21 29489400 SHEXXWUMRLDSCC-GOSISDBHSA-N 280.346 3.817 30 20 CHED CC(C)CCC[C@@H](C)NCc1cccc(OCC#N)c1 37231670 LNSNJSJPDKQTFG-OAHLLOKOSA-N 274.408 3.893 30 20 CHED C=C(C)CSc1nnc(Cc2cccs2)n1C1CC1 48395963 BHWPBIAYAFVXSV-UHFFFAOYSA-N 291.445 3.934 30 20 CHED Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1 49882722 ZUGPJHOYZYIFIM-HNNXBMFYSA-N 284.746 3.643 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C(C)(C)c1ccccc1 50212901 IRDGKLMHFPOLRN-UHFFFAOYSA-N 278.355 3.783 30 20 CHED Cc1ccoc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 66396441 GZIVDIMFFMGMHW-OAHLLOKOSA-N 296.370 3.880 30 20 CHED N#Cc1ccccc1CN(Cc1ccccc1F)C1CC1 67445707 FKUGGMRCUBBBLA-UHFFFAOYSA-N 280.346 3.862 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 74918384 PMFRTXGTTVHBAN-ZBFHGGJFSA-N 299.418 3.697 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 75308300 ZENXDCVPOYAJEF-ZIAGYGMSSA-N 287.407 3.524 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1ccc2c(c1)CCC2 78462049 CRJKKCRGAMTQIW-UHFFFAOYSA-N 299.418 3.969 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nc1 78561716 DAADHDFPNHSREG-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCOCCCC(=O)NC1(c2ccccc2)CCCC1 80288623 QWHJLKYSDHFVKY-UHFFFAOYSA-N 287.403 3.555 30 20 CHED CC(=O)c1ccccc1NCc1ccc(F)c(C#N)c1 83497102 WIZMPDUPQVGEGC-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C[C@H](c1ccco1)N(Cc1ccccc1C#N)C1CC1 86234288 ZFDSTMLKTVNXFR-CYBMUJFWSA-N 266.344 3.877 30 20 CHED CC[C@H]1CCCN(Cc2ccc(OC)c(C#N)c2)CC1 87833438 VAKJVNWLJHWYJT-AWEZNQCLSA-N 272.392 3.579 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1nc(C)cs1 88577837 SVLHJLROULPKPJ-UHFFFAOYSA-N 285.416 3.735 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](CCC)CC1CCCC1 91967056 VYYIKKYLUPEMFW-HUUCEWRRSA-N 264.413 3.791 30 20 CHED CC(C)(C)CCCC(=O)N[C@@H](C#N)c1ccccc1F 108801450 WFQLJJKOCDRUDP-AWEZNQCLSA-N 276.355 3.723 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 111704032 YZPXTOOKNSJZBK-UHFFFAOYSA-N 282.746 3.909 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1cccc(SC)c1 114757601 YFHWBRODWKKNFC-JTQLQIEISA-N 267.419 3.655 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(OC)c(Cl)c1 116907881 QFGPKZGGIBQGKL-MNOVXSKESA-N 253.773 3.964 30 20 CHED CCNc1nnc(S[C@@H](C)c2ccc(C#N)cc2)s1 118174211 UOTUFMXDGSSUQD-VIFPVBQESA-N 290.417 3.695 30 20 CHED O=C(/C=C/c1c[nH]nc1-c1ccccc1F)c1ccco1 118992697 AWYIHJGENHRLAZ-BQYQJAHWSA-N 282.274 3.705 30 20 CHED C=CCCCN(C)Cc1c(Cl)cccc1[N+](=O)[O-] 119179832 SVNWLQKDJCRKIZ-UHFFFAOYSA-N 268.744 3.646 30 20 CHED C#CCCCCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 119889609 DHHGERUPLNQVFW-BXUZGUMPSA-N 293.769 3.645 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C)cc1OC 121512556 FWIQSIQGNNLFSF-UHFFFAOYSA-N 260.333 3.677 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 122142122 AZTHMDOUNSHYBF-HZPDHXFCSA-N 281.440 3.811 30 20 CHED C[C@H](c1ccccc1)[S@](=O)Cc1ccc(C#N)cc1 125369950 PDFVPWBYUAAKHX-YJYMSZOUSA-N 269.369 3.568 30 20 CHED N#Cc1ccnc(SCCCOCCc2ccccc2)c1 128216859 UEQHGRSOHDMOSI-UHFFFAOYSA-N 298.411 3.695 30 20 CHED C=CCN(CC=C)C(=O)CS[C@H](C)c1ccccc1 131476333 XRZQRHSHMLLOJB-CQSZACIVSA-N 275.417 3.681 30 20 CHED Cc1cccc2cc(C(=O)Nc3ccc(C#N)cc3)oc12 148145461 MJFQFCXRWGFQIY-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C=CCOc1ccccc1CNc1cccc(Cl)n1 149818505 QNBHAKOEDWNAIE-UHFFFAOYSA-N 274.751 3.912 30 20 CHED C#CCCCCNC(=O)Nc1cccc(C(C)C)c1 151001790 YNBSSUHLDYZCLH-UHFFFAOYSA-N 258.365 3.735 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccc(C)cc1F 151988081 BHPCRSLBDXUTND-NSHDSACASA-N 267.369 3.770 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)C[C@H](C)CC)CC1 153016826 JZQZCNNWUKJBBG-CVEARBPZSA-N 266.473 3.831 30 20 CHED N#CCC[C@@H](C#N)COc1cc(Cl)cc(Cl)c1 153434198 SGORPECNFZSGIC-VIFPVBQESA-N 269.131 3.816 30 20 CHED C=CCOC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 154362769 UBTPPVMARHYFQN-UHFFFAOYSA-N 291.347 3.685 30 20 CHED C=CCC[C@@H](CC)NCCc1cn2cccc(C)c2n1 156334106 GVUAPOOQRUTZKC-OAHLLOKOSA-N 271.408 3.520 30 20 CHED C#CCCCCNC(=O)C(C)(C)c1ccccc1Cl 156638281 TWFWRNNAKJTMBG-UHFFFAOYSA-N 277.795 3.537 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3sccc32)s1 157909605 JPHPXADZJSLWGQ-ZDUSSCGKSA-N 274.414 3.848 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)Sc2cccc(C#N)c2)c1 158674243 IRRRIQKVFAQNCQ-CYBMUJFWSA-N 296.395 3.986 30 20 CHED Cc1cc(C#N)ccc1Oc1nc(C(C)(C)C)ns1 159179140 GHDOJCROLMUUCD-UHFFFAOYSA-N 273.361 3.808 30 20 CHED C#CCN(CC1CC1)C(=O)Nc1cc(Cl)ccc1Cl 159308553 JOXYABJFHFWQSU-UHFFFAOYSA-N 297.185 3.871 30 20 CHED C=CCOc1cccc(CN(CCC#N)Cc2ccco2)c1 159573040 ZABBEVAUNFLBET-UHFFFAOYSA-N 296.370 3.760 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2cc(F)ccc2C#N)C1 160880947 MEACAJQATJNZBJ-CVEARBPZSA-N 292.423 3.803 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)cc1C)c1cccs1 162347397 RSKSKRKTFHDTOV-AWEZNQCLSA-N 284.384 3.809 30 20 CHED CC(C)(CCC#N)CNc1cnc2ccccc2c1 169273902 RWVYRAOBXKKHJM-UHFFFAOYSA-N 253.349 3.977 30 20 CHED Cc1ncc(CNc2ccc(C#N)cc2)n1-c1ccccc1 172808588 UEWQNCAIOFKCIH-UHFFFAOYSA-N 288.354 3.665 30 20 CHED Cc1cccc([C@H](C)S(=O)(=O)Cc2cccc(C#N)c2)c1 173976729 KCNZPPYPSLMCJS-AWEZNQCLSA-N 299.395 3.543 30 20 CHED C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)[C@H]1c1ccccc1 174021846 VBTWIDPSUSIGBF-RDTXWAMCSA-N 290.366 3.586 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCCN(c2ccccc2)C1 174398969 SJGIQSNEJHFBMJ-INIZCTEOSA-N 285.435 3.575 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 175870106 HOXPSTCPOLOUFO-JKSUJKDBSA-N 274.433 3.712 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 175870891 ARPCHQXLPKDDLR-HOTGVXAUSA-N 274.433 3.712 30 20 CHED C=CCCCC(=O)Nc1cc(NC(=O)CC)ccc1Cl 177754569 SWTVIOBEIPUTTI-UHFFFAOYSA-N 294.782 3.983 30 20 CHED C=C(C)CS[C@H](C)C(=O)N[C@@H](C)c1ccccc1C 177868644 JPDDRVXHKRXRKL-UONOGXRCSA-N 277.433 3.870 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc(CC#N)c1 178111989 ICNDGRHQKSVMBL-YOEHRIQHSA-N 284.403 3.793 30 20 CHED C/C=C(/C=C/C(=O)Nc1cc(C#N)ccc1OCC)CC 178189095 ZYOWIBLERREVEG-MGFPLEHVSA-N 284.359 3.808 30 20 CHED N#Cc1csc(CN2CC=C(c3ccc(O)cc3)CC2)c1 179804929 ZSXHKKKXRLAXOF-UHFFFAOYSA-N 296.395 3.615 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl 181338963 PEESZSQPCBFVMD-WDMOLILDSA-N 278.783 3.703 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1SCCc2ccccc21 182641147 YOEXSYFYVAITOM-BBRMVZONSA-N 289.444 3.878 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[C@H](C)CC 182959927 DYNOPCNZKUCUFN-CABCVRRESA-N 286.419 3.979 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(CC#N)cc1 184626358 FYNCQVMYVRBSIV-TZMCWYRMSA-N 256.349 3.517 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cccc(OCC(F)F)c2)C1 185822960 KXKRLNWKPVUCPV-JSGCOSHPSA-N 294.345 3.502 30 20 CHED C=C(C)[C@H](NC(=O)c1ccoc1)c1ccc(F)c(F)c1 186050333 VGHUWGZGNUKRLK-AWEZNQCLSA-N 277.270 3.605 30 20 CHED CCCCCCCCC(=O)N1CC=C(COC)CC1 186187222 KDDBTESQWYJPBW-UHFFFAOYSA-N 267.413 3.542 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1ccccc1 187583808 XVLOJXWJKBALBJ-BBRMVZONSA-N 262.349 3.520 30 20 CHED C=CC[C@@H](C(=O)N1CCC2(CCC2)C1)c1ccccc1 188547095 VSUJITBANQUXSZ-MRXNPFEDSA-N 269.388 3.749 30 20 CHED CCc1cccc(CNc2ccc(F)cc2OCC#N)c1 189667376 CDMDZYVCPFIGDA-UHFFFAOYSA-N 284.334 3.903 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2cccnc12 191806546 LFXIIYPZBNALDK-INIZCTEOSA-N 254.333 3.776 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2F)cc1OC 211732653 ZFMIOXNFTXCYEV-CLFYSBASSA-N 286.302 3.739 30 20 CHED CCCC[C@@H](CCC)NC[C@@H](O)c1ccc(C#N)cc1 226024841 KIMLEFROGMKKSO-IAGOWNOFSA-N 274.408 3.540 30 20 CHED COc1cccc([S@](=O)CCCCC(C)(C)C#N)c1 234894725 WMMQWPSZUDCXHL-LJQANCHMSA-N 279.405 3.523 30 20 CHED C=C(C)COc1cc(CNCC(C)(C)C)ccc1OC 237236186 CRNBNBFCTPPRCO-UHFFFAOYSA-N 277.408 3.786 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(OC)cc1 248842271 NWPPFTNKSGQZKA-UNEWFSDZSA-N 272.392 3.818 30 20 CHED O=C1/C(=C\c2cccc(F)c2)Cc2cc(F)ccc21 255504000 DAPJBUUHVFNWLV-SDQBBNPISA-N 256.251 3.787 30 20 CHED CCCc1sc(C(=O)N(C)[C@@H](C)CC#N)cc1CC 264081171 QDOYRPPPNZNQGJ-NSHDSACASA-N 278.421 3.637 30 20 CHED C[C@H](C#N)CN(C)[C@@H](C)c1nc2ccccc2n1C(F)F 264194180 GMESJZQCWOXXTN-MNOVXSKESA-N 292.333 3.584 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 265349339 DQGRTYMHMVHVBI-XJKSGUPXSA-N 288.391 3.506 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)CC#N)c1ccc(Cl)c(Cl)c1 266945114 QPIOEZASJYZKCX-UWVGGRQHSA-N 299.201 3.857 30 20 CHED C[C@@H](C#N)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 270978831 BCBQRCVYVXMRBS-LRDDRELGSA-N 285.778 3.520 30 20 CHED Cc1cc(N[C@H](C)c2ccc(F)c(F)c2)nn1CCC#N 271016387 LEVVZWJSSFFCFB-LLVKDONJSA-N 290.317 3.557 30 20 CHED C#CCCN1CCc2sc(-c3csc(C)n3)cc2C1 271568734 QPHMQUYGGVAQPB-UHFFFAOYSA-N 288.441 3.561 30 20 CHED COC(C)(C)C[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 271975736 VKOHFEJSPVVDGC-VXGBXAGGSA-N 278.371 3.552 30 20 CHED C=CCN(CCc1ccco1)Cc1cnc(Cl)s1 272289579 NURROJCZZCGIKI-UHFFFAOYSA-N 282.796 3.620 30 20 CHED Cc1ccc([C@@H]2CCCCCN2C(=O)NCCCC#N)o1 273161848 CSIOXUNHHRYENE-AWEZNQCLSA-N 289.379 3.519 30 20 CHED CCOCCC1(CNc2ncc(Cl)c(C)c2C#N)CC1 273410524 XNEYTWHYUCMZJK-UHFFFAOYSA-N 293.798 3.534 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2Cc2ccccc2)C1 274648484 SKYOFBBHPVOBPW-OWSLCNJRSA-N 268.404 3.680 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(OC2CCCC2)c1 278545595 NNEXJQRDVABGMA-UHFFFAOYSA-N 286.375 3.886 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 281037838 IQKUOOCNMPFLNI-CYBMUJFWSA-N 299.418 3.603 30 20 CHED CCOc1ccc(OCCCC2(C#N)CCOCC2)cc1 281443104 UEAAKZAZVPZYNB-UHFFFAOYSA-N 289.375 3.565 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CCCC(F)(F)C2)s1 282305458 XJLYQTRHDIPIGQ-SECBINFHSA-N 298.358 3.946 30 20 CHED CC(=O)Nc1ccc(Cl)c(NCCC(C)(C)C#N)c1 288720857 MCDLDSRFUPJCKH-UHFFFAOYSA-N 279.771 3.650 30 20 CHED CC1(C)CC[C@@H](CNC(=O)CCCC#N)c2ccccc21 291820629 CXNLBWMHMAWBJS-AWEZNQCLSA-N 284.403 3.652 30 20 CHED C#CCC1(C(=O)N(C)Cc2occc2C)CCCCC1 292510234 IGAKCYSYWSCLJY-UHFFFAOYSA-N 273.376 3.520 30 20 CHED C=CCCSc1nnnn1-c1ccc(CCCC)cc1 303804477 MFWZNXVZUSMVGK-UHFFFAOYSA-N 288.420 3.673 30 20 CHED Cc1nc(NC[C@@H]2CCC[C@H]2C)c(Cl)cc1C#N 310999994 MYYYDPOMZYAKCP-KOLCDFICSA-N 263.772 3.763 30 20 CHED Cc1nc(N2CCC[C@@H](C(C)C)CC2)ccc1C#N 311497589 DNCVJOWMBMSCGX-CQSZACIVSA-N 257.381 3.524 30 20 CHED CC[C@@H](Nc1cccc(OCCCC#N)c1)[C@H]1CCOC1 314486229 KWADESPTAZZPFC-WMLDXEAASA-N 288.391 3.596 30 20 CHED Cc1nn(C)c(C)c1[C@@H](C)C(O)=Nc1cccc2ocnc12 328878486 LBFLYCJZBKPIQV-SECBINFHSA-N 298.346 3.570 30 20 CHED O/C(=N/C1CCC1)c1ccnc(OC2CCCCC2)c1 329160887 YOPPNUMJJLCMRQ-UHFFFAOYSA-N 274.364 3.650 30 20 CHED OC1=NC[C@@H](/C(O)=N/[C@@H]2CCC[C@H]2c2ccccc2)CC1 329216267 OERNGUVQFLKZSE-SOUVJXGZSA-N 286.375 3.646 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2/N=C(/O)C1(C)COC1 329462542 QELJJCUBQAOYGK-LBPRGKRZSA-N 277.364 3.595 30 20 CHED Cc1cccc([C@H](C)C/N=C(/O)C[C@H]2CCCC(O)=N2)c1 329624722 GHDKHGXTLZEICB-UKRRQHHQSA-N 288.391 3.954 30 20 CHED CC[C@@H]1OCCC[C@@H]1C(O)=Nc1cnc2c(c1)CCCC2 330303855 KBFFDWWZJGULJA-HOCLYGCPSA-N 288.391 3.754 30 20 CHED CCOCc1ccc(N/C(O)=N/C2(C)CCCC2)cc1 331253949 SJTNMWNZEHEOCH-UHFFFAOYSA-N 276.380 3.882 30 20 CHED N#C[C@]1(C(=O)Nc2cccc3c2CCCC3)CC12CCCC2 333180228 MLKMXDLBQNMCMX-IBGZPJMESA-N 294.398 3.978 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2c(Cl)cccc2Cl)no1 335152316 OYCQYLYJGVDWTR-WPPNPWJKSA-N 294.141 3.845 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1CCC(C(F)(F)F)CC1 335202933 VYRBWEQTCZUYIN-WXRRBKDZSA-N 289.341 3.922 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)cc(F)c2F)s1 336405219 NEPYLBLWYAWFSF-UHFFFAOYSA-N 298.701 3.804 30 20 CHED Cc1nc(SCc2ccc(Cl)cc2C#N)[nH]c1C 338583291 UVFYEPDXDZONNU-UHFFFAOYSA-N 277.780 3.844 30 20 CHED N#Cc1cccc(NCc2cc3ccccc3s2)n1 339217074 QVTSORGFWBHKKI-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCCSC2)n1 340768632 HVFSNKUVUGCMBM-JTQLQIEISA-N 252.383 3.534 30 20 CHED CCC(=O)c1ccc(Oc2nc(C)ccc2C#N)cc1 341276383 ZQNXKESQUYTVDN-UHFFFAOYSA-N 266.300 3.647 30 20 CHED CC(C)[C@@H]1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CCO1 341807183 MYBYNWZDUSEXPV-NEWSRXKRSA-N 298.430 3.729 30 20 CHED Cc1nsc(NCCc2c(C)[nH]c3ccccc23)c1C#N 342121052 RICWISKLFDSGAP-UHFFFAOYSA-N 296.399 3.768 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 342962388 WTEKXOKJKBLYKA-NEPJUHHUSA-N 290.411 3.818 30 20 CHED N#Cc1cccc(CCN[C@H]2CCCc3sccc32)c1 343618619 UAFUCVWRGUDTOA-INIZCTEOSA-N 282.412 3.829 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(C#N)c2)C1 343620311 GTXNXERWMRRALM-KSSFIOAISA-N 290.366 3.782 30 20 CHED CC(C)(CCC#N)CNC(=O)C[C@H](CC#N)c1ccccc1 345962063 MYDGMUVMSIOPGQ-INIZCTEOSA-N 297.402 3.520 30 20 CHED C=CC[C@@H]1N(C(=O)c2c[nH]cc2C)CCCC1(C)C 347429920 LWICVJLNGXLXNQ-AWEZNQCLSA-N 260.381 3.530 30 20 CHED N#Cc1cccc(CN2Cc3cccc(Cl)c3C2)c1 347465436 OKSSYQUXQDMZHM-UHFFFAOYSA-N 268.747 3.727 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(F)(F)F)[nH]2)n1 351122775 MABVWVORPWPWDU-UHFFFAOYSA-N 271.242 3.592 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1cscc1-c1ccccc1 352775329 JPHIWVXUWIPAFO-GFCCVEGCSA-N 284.384 3.647 30 20 CHED CCOc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 353274378 PAYGCQDGNNYBCI-SFHVURJKSA-N 292.382 3.734 30 20 CHED C=C(CNC(=O)N[C@@H](CC)c1ccncc1)c1ccccc1 353709880 MCIPHIXMAVNFGY-KRWDZBQOSA-N 295.386 3.545 30 20 CHED Cc1nn(Cc2ccc(OC(C)C)c(Cl)c2)cc1C#N 359393960 POZSREWBCHCWCK-UHFFFAOYSA-N 289.766 3.552 30 20 CHED N#CCCCCN1CCCc2c([nH]c3c(F)cccc23)C1 374073887 FRYOIFAHNSEBFA-UHFFFAOYSA-N 285.366 3.749 30 20 CHED CC1(C)CN(c2cccc(F)c2C#N)[C@H]2CCC[C@@H]21 378784499 OUENFZCYYAIKFB-WFASDCNBSA-N 258.340 3.712 30 20 CHED CCc1nc(CN(C)c2cccc(Cl)c2C#N)cs1 380966383 XKXJVBMQPNPYHD-UHFFFAOYSA-N 291.807 3.867 30 20 CHED C=CC(C)(C)CNCc1sccc1Br 385039763 NIVHRKXUZKCJKX-UHFFFAOYSA-N 274.227 3.812 30 20 CHED C[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1CC2)c1ccc(OCC#N)cc1 402823777 XNYHKRKFPOZBQW-LAQRGFTBSA-N 296.414 3.842 30 20 CHED CCCC(CCC)C(=O)N1CCCC(C)(C)[C@H]1C#N 410769600 WXYKXVYNDUDBMF-CQSZACIVSA-N 264.413 3.744 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1ccccc1CC#N 410823638 APUJQLKUMLLYNM-UHFFFAOYSA-N 293.370 3.832 30 20 CHED CC(C)c1ncsc1C(=O)Nc1ccccc1CC#N 410828055 MNVRYWJIVPGWQK-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCC(C)C 412837144 HFYWTQCEWYHMIQ-MRXNPFEDSA-N 259.393 3.726 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1ccncc1 414301385 LYAAIUGKFJUFGY-MAUKXSAKSA-N 266.388 3.920 30 20 CHED CC[C@@H](N[C@H]1COCc2ccccc21)c1ccc(C#N)cc1 417342161 CGXQKHWOYHSFSK-MOPGFXCFSA-N 292.382 3.870 30 20 CHED CC[C@@H]1CC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 417369926 RZYJLBFGTSYIBR-KBRIMQKVSA-N 254.377 3.714 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(C2CC2)cc1 418114009 KNHGRVONCBTTJO-CYBMUJFWSA-N 279.387 3.625 30 20 CHED CO[C@@H](CSCCCCC#N)Cc1ccccc1 419524317 BVEDTWDDOCZSDY-OAHLLOKOSA-N 263.406 3.671 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCCc2cc(N)ccc21 423352334 KGJCBVVUBCUXPN-WBVHZDCISA-N 258.409 3.981 30 20 CHED C=CC(C)(C)c1nc(C2(c3ccc(F)cc3)CC2)no1 424358078 FMLIOFDINWBBOX-UHFFFAOYSA-N 272.323 3.752 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 424567029 JHBIPXDNCLGPRX-KBXCAEBGSA-N 296.414 3.876 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)cc(Cl)c1O 424780673 NKWFAHOBJDJWLX-UHFFFAOYSA-N 271.719 3.726 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425128873 LDQFUXYEWFRNEE-SKDZVZGDSA-N 284.403 3.760 30 20 CHED C=CCN(CCC#N)Cc1ccc(CC(C)C)cc1 428866385 YTJJTRUYMFTIKH-UHFFFAOYSA-N 256.393 3.787 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCC1(CC#N)CC1 430577930 YFNZSTXGFWLQML-LSDHHAIUSA-N 291.439 3.584 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccccc1-n1cccn1 432644254 JMTYERUNIWCAKC-UHFFFAOYSA-N 298.390 3.596 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc2ccccc2c1 435748961 HOZBWZFRANRDLL-RTBURBONSA-N 281.399 3.911 30 20 CHED C[C@@H]1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 437068832 KZWGWAQVEXTFJY-VMGRFDJRSA-N 254.377 3.714 30 20 CHED C[C@H](N(C)CC#Cc1ccc(Cl)cc1)C1(C)CC1 437545664 ZYQGBNVHNDOHDO-ZDUSSCGKSA-N 261.796 3.812 30 20 CHED Cc1cccc(O[C@H](C)CNCc2ccc(C#N)c(C)c2)c1 443996423 UQGZRFZONCZNEX-MRXNPFEDSA-N 294.398 3.732 30 20 CHED C=CC[C@H]1N(Cc2ncccc2C)CCCC1(C)C 444775014 LKLJJWVMBKRIMH-MRXNPFEDSA-N 258.409 3.957 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(Cn2ccnc2)cn1 449317175 BPCHFTXSAAMBBH-OAHLLOKOSA-N 284.407 3.873 30 20 CHED Cc1ccnc([C@H](C)Nc2cccc(CC#N)c2)c1 449700143 PNRXWIWJRFUXJB-ZDUSSCGKSA-N 251.333 3.629 30 20 CHED CC(C)[C@H](Nc1nccc(C#N)n1)c1ccccc1Cl 450330474 JABVRNGRACCKSF-AWEZNQCLSA-N 286.766 3.811 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1c1cccc(C#N)n1 450905924 CLHLYUPEVRGNST-INIZCTEOSA-N 281.334 3.742 30 20 CHED C=CCC1(C(=O)N(CC2CCC2)[C@@H](C)CO)CCCCC1 451059648 DWWINEDBJIWGSV-HNNXBMFYSA-N 293.451 3.523 30 20 CHED COc1cc(C#N)ccc1CN[C@@H](C)c1cccc(C)c1 452091025 RKSUUTSOIQDGLX-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C=CCC(CC=C)C(=O)N(C)CCc1ccccc1C 452332942 NVMMUAHHFLZZOZ-UHFFFAOYSA-N 271.404 3.764 30 20 CHED C=CCCC1(C(=O)Nc2cnn(CCC)c2C2CC2)CC1 452997484 UVJINGAMPMKPTM-UHFFFAOYSA-N 287.407 3.855 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cc(OC)c(OC)cc1F 453305107 HBFGNOLVBGCXBM-NSHDSACASA-N 281.371 3.706 30 20 CHED Cc1cnc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)s1 454838498 GTTHFOFPWULUCD-UHFFFAOYSA-N 299.399 3.531 30 20 CHED C=CCC1(NC(=O)c2ccoc2Cl)CCCCC1 456374935 XNOGGYZVXYDFDX-UHFFFAOYSA-N 267.756 3.942 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1nc2c(s1)CCC2 459648314 KSLZJNZUEOQYRS-SDDRHHMPSA-N 264.438 3.883 30 20 CHED CC[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1cccs1 461925037 ZENIRYVUZXNYDK-WFASDCNBSA-N 298.411 3.991 30 20 CHED C=CCCC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C 462576005 KZUDBIVUDBXMBT-DYVFJYSZSA-N 257.377 3.783 30 20 CHED C[C@@H]1CCN(c2ncccc2C#N)CC12CCCCC2 462694541 DLIYZSAVHHGAGI-CQSZACIVSA-N 269.392 3.750 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCC#N 462725241 AXARUMUMCBLUDZ-DOTOQJQBSA-N 299.418 3.549 30 20 CHED C=C[C@H](C)NC(=O)N(CC)Cc1ccc(Cl)s1 464755828 KMYPBUYDHUDBHY-VIFPVBQESA-N 272.801 3.508 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1(CCOC)CCC1 471793436 NBHJRUWJIULFKQ-UHFFFAOYSA-N 293.451 3.788 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1CC12CCCC2 474227206 CFFUBONHINTLNX-AWEZNQCLSA-N 275.417 3.843 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 476191280 MEKCHSTVHUGLAD-TZMCWYRMSA-N 290.794 3.847 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc2c1CCO2)c1ccccc1 477742218 LBJNDPXSTGRVRW-OAHLLOKOSA-N 293.366 3.920 30 20 CHED CC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 483607136 NFZPXYLVFWZHNF-HNNXBMFYSA-N 260.356 3.708 30 20 CHED CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CC1(C)C 489456884 PCTKEXJRFCLKER-HNNXBMFYSA-N 256.393 3.718 30 20 CHED CN(Cc1cc(C#N)ccc1Br)[C@H]1CC1(C)C 489489619 VRXXZKOCMCLVTR-ZDUSSCGKSA-N 293.208 3.551 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@](C)(F)C1)c1ccccc1 489954329 KOLNDKOXNXBGKE-WBVHZDCISA-N 275.367 3.697 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 490092770 ZPJOECJOMNXNLV-WDNDVIMCSA-N 251.414 3.777 30 20 CHED C=CCC[C@@H](C)N[C@@H](COC)c1ccc(Cl)cc1 494510351 FJSBXNKGPJSEKD-DOMZBBRYSA-N 267.800 3.972 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 497836149 NEOONAWTEOWNKC-KGLIPLIRSA-N 266.429 3.809 30 20 CHED C=CCCC[C@@H](C)N[C@H](CO)c1cccc(Cl)c1F 499941151 CGUKFNMFBQPXLP-BXUZGUMPSA-N 285.790 3.847 30 20 CHED CCCCCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505953162 GPPLYZCUFYYFBB-CYBMUJFWSA-N 298.308 3.967 30 20 CHED Cc1ccc(-c2noc(Cc3c(F)cccc3C#N)n2)cc1 507996952 FBFXEEXOFOTDOZ-UHFFFAOYSA-N 293.301 3.647 30 20 CHED Cc1ccc([C@H]2OCCC[C@H]2Nc2ccc(C#N)nc2)cc1 509547621 AIHSAKJKWICHIO-QZTJIDSGSA-N 293.370 3.594 30 20 CHED C=CCCCSc1nccn1-c1ccc(OC)cc1 522747764 ZAKJDRLOUYRXBV-UHFFFAOYSA-N 274.389 3.939 30 20 CHED CCN(CC#N)Cc1c(C)cc(C(C)(C)C)cc1C 522775658 RMGWBXZDJLELAW-UHFFFAOYSA-N 258.409 3.946 30 20 CHED C=CCCCCCN(C)c1nc2c(cc1C#N)CCC2 523533443 JGMKQHKNBNLIAQ-UHFFFAOYSA-N 269.392 3.625 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(C#N)cc1F 524757181 JSZJAAJQMZHZIO-IFIJOSMWSA-N 272.367 3.850 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(Cc2ccc(C#N)nc2)n1 528205886 LSKJYXBOBIJNPR-UKRRQHHQSA-N 296.374 3.611 30 20 CHED C=CCC1(c2nc([C@@H]3CC[C@@H](C)O3)no2)CCCC1 528244324 WDKCDBOFBVCNPQ-NEPJUHHUSA-N 262.353 3.698 30 20 CHED CCCN(C(=O)[C@@H](C)C#N)[C@@H](CC)c1ccccc1 531290867 XGNVHMJRQMBUKQ-ZFWWWQNUSA-N 258.365 3.536 30 20 CHED C=CCCCN1CCn2cccc2[C@H]1c1ccccc1 533034424 LDXJLUAGNUAEKW-GOSISDBHSA-N 266.388 3.859 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(O)cc1C)c1ccccc1 534719264 ICSXZFYTARSAAP-CQSZACIVSA-N 281.355 3.999 30 20 CHED CC(C)N(CCC#N)Cc1cccc(-c2cccnc2)c1 535077221 KYFSNBLBVBBFHA-UHFFFAOYSA-N 279.387 3.873 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1cccc(OC)c1 538289307 FOUVTLAGNQVQGH-CQSZACIVSA-N 290.407 3.581 30 20 CHED N#CC1(CN2CC3(CCCC3)c3ccccc32)CC1 539452638 HWVPRARLDJCCAK-UHFFFAOYSA-N 252.361 3.622 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCO[C@@H](C(C)(C)C)C1 540144904 UEMSKSVKSANIDC-SOUVJXGZSA-N 253.430 3.915 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@@H]2C2CCCCC2)s1 540802785 LBRRSWQSOOPGEY-HUUCEWRRSA-N 260.406 3.678 30 20 CHED Cc1nc(C)c(NC(=O)c2ccc(Cl)c(C#N)c2)s1 541622496 RTDZXIBXSHVQIO-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 543942594 UBEVUQNNDQRLTQ-VGWMRTNUSA-N 278.440 3.951 30 20 CHED C[C@H]1COCC[C@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 553650176 LGKIWUCYKHYDAK-JQWIXIFHSA-N 298.308 3.662 30 20 CHED CC[C@](C)(C#N)C(=O)NC(CC(C)C)CC(C)C 554714322 UKQRPRSKDJCABR-OAHLLOKOSA-N 252.402 3.503 30 20 CHED C=CCC(C)(C)CN[C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 556218665 YLTOWVOOQIEFLX-RRFJBIMHSA-N 281.440 3.546 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc3nsnc3c2)n1 556366992 YIDLPVHCUROCQD-UHFFFAOYSA-N 286.360 3.595 30 20 CHED CCN(C(=O)[C@H](C#N)CCc1ccccc1)C1CCCC1 557190989 HJSUDZDGZHZQFQ-INIZCTEOSA-N 284.403 3.550 30 20 CHED CN(Cc1ccc(C#N)cc1)c1nc(C2CCCC2)ns1 557627199 ZFYKLRHSSNYHEP-UHFFFAOYSA-N 298.415 3.704 30 20 CHED C=CCOCCCN(c1ccccc1OC)C(C)C 558483381 NKUKHEROTZLLHA-UHFFFAOYSA-N 263.381 3.503 30 20 CHED C[C@H](NCCc1ccc(F)cc1F)c1ccc(C#N)cc1 561493205 VTXWAQBCALXQHW-LBPRGKRZSA-N 286.325 3.730 30 20 CHED N#CCC[C@@H](C#N)CN[C@@H](CC(F)(F)F)c1ccccc1 573198977 FAHVQSPWAJJIJX-JSGCOSHPSA-N 295.308 3.713 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)Cc1cnc2ccc(C#N)cn12 575028026 OHIIDBGXNLXDKR-NVXWUHKLSA-N 296.418 3.607 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C)c(C(C)=O)c1 575194032 ZKLUGSFXJHROKI-UHFFFAOYSA-N 259.349 3.738 30 20 CHED C=CCCCCNC1(Cc2ccccc2)CCOCC1 575754527 HNDJVPFGKLPQTH-UHFFFAOYSA-N 273.420 3.724 30 20 CHED C=CCCC1(c2nc(-c3cccc(OC)c3)no2)CC1 577678848 KECDYRWOCOTSQU-UHFFFAOYSA-N 270.332 3.743 30 20 CHED COc1ccc([C@H](C)CN2CCC(CCC#N)CC2)cc1 578869350 JZJPVAQEMIOPHF-OAHLLOKOSA-N 286.419 3.814 30 20 CHED C=CCn1c(CC)nnc1N(C)[C@H](C)c1cc(C)ccc1C 580802442 AOAPGZHTJZURKY-OAHLLOKOSA-N 298.434 3.841 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCCc1cccs1)CC2 583410525 RNKBECVKEWKDJH-QGZVFWFLSA-N 282.412 3.829 30 20 CHED N#CCCCCCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 588277981 QLNHSKYJWPTTSG-UHFFFAOYSA-N 295.386 3.523 30 20 CHED C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)CCC1(F)F 589601283 FTPMUMFYSKNNHT-LLVKDONJSA-N 293.361 3.732 30 20 CHED C[C@H](C(=O)Nc1cccc(CC#N)c1)C1CCCC1 590884533 NPRPOYRNISSDCJ-LBPRGKRZSA-N 256.349 3.517 30 20 CHED C[C@@H](CCC#N)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 591017200 VIRYDNXELNQZEG-HOTGVXAUSA-N 297.446 3.594 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1CCCCCC1 594040172 UDNUNAIDOQBDKR-HNNXBMFYSA-N 298.430 3.823 30 20 CHED CN(CCSc1ccc(F)cc1F)CC(C)(C)C#N 595503246 ZBRAFRSYEBXMIA-UHFFFAOYSA-N 284.375 3.538 30 20 CHED COc1cc(NCC(C)(C)CCC#N)c([N+](=O)[O-])cc1C 596245271 WQGQFQQSMWTNEP-UHFFFAOYSA-N 291.351 3.654 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CC3(CC3)C2)cc1 597185846 XZVPYKOJMRDYGO-MRXNPFEDSA-N 296.414 3.855 30 20 CHED CC1(C)CC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 597462259 KJVRUOLPBJYUML-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED Cc1ccccc1-c1nsc(N2CCC[C@@H](CC#N)C2)n1 599098092 BNOYBZUUGVKCTL-ZDUSSCGKSA-N 298.415 3.644 30 20 CHED CCc1ccc(C2CCN(C[C@@H](C#N)CCC#N)CC2)cc1 599668093 CBGNVMDQKUDOQY-QGZVFWFLSA-N 295.430 3.872 30 20 CHED C=CC1CCN(C(=O)c2csc3c2CC[C@@H](C)C3)CC1 599677287 ZCZYIXRCNUMQPD-GFCCVEGCSA-N 289.444 3.911 30 20 CHED COCCc1ccc(OCCC(C)(C)C#N)c(Cl)c1 600681492 IBWSKPBXWSTBPR-UHFFFAOYSA-N 281.783 3.848 30 20 CHED Cc1ccc(SC[C@@H](C)NCc2cccc(C#N)n2)cc1 602620097 UMCLXWMSCSZHNL-CQSZACIVSA-N 297.427 3.532 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@@H](C)Cc1ccsc1 602624833 OWHKWSXFAXCRKH-KBPBESRZSA-N 264.438 3.941 30 20 CHED N#CCC1(CN2CCCCC[C@@H]2c2ccco2)CC1 602777327 FVBVLRGMKJOEIC-CQSZACIVSA-N 258.365 3.891 30 20 CHED Cc1ccc([C@@H](NCC2(CC#N)CC2)c2ccccn2)cc1 602822647 XDLQSGUEWINCGG-GOSISDBHSA-N 291.398 3.763 30 20 CHED Cc1ccc(-c2cn(CCCC(C)(C)C#N)nn2)cc1 603258493 BQZMFVDAOBNTQX-UHFFFAOYSA-N 268.364 3.584 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](C)C2CCCCC2)cc1 607523852 NTAIPHSAQPDQAA-AWEZNQCLSA-N 287.403 3.950 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 607909705 AGDHZCCRVOGEII-WDEREUQCSA-N 285.309 3.890 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)NCc1cccc(C#N)c1 609043008 QKHQZBIIYIXLQF-DLBZAZTESA-N 299.418 3.716 30 20 CHED N#Cc1ccccc1CN1CCCO[C@H](c2ccccc2)C1 609234625 ZDQPPTLBLVWUCN-IBGZPJMESA-N 292.382 3.522 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(F)c1SC)OCC 617274898 MRLOTCMBKYLTOD-ZDUSSCGKSA-N 297.395 3.857 30 20 CHED C=C[C@@H](Nc1cc(Cl)ccc1SCC)C(=O)OC 619734972 ZUCNVODCZKVOQX-SNVBAGLBSA-N 285.796 3.592 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](c1nccn1C)C1CC1 639265273 JCBMRJUOUNXAIF-ZWKOTPCHSA-N 295.430 3.648 30 20 CHED C=CC[C@@H]1CCCN(Cc2ncccc2C(F)(F)F)C1 661386889 VSNSTERQBOHEJI-GFCCVEGCSA-N 284.325 3.889 30 20 CHED C=C(C)CN[C@]1(Cc2ccc(Cl)cc2)CCCOC1 661430489 XHLCWCJJYFUCTB-INIZCTEOSA-N 279.811 3.597 30 20 CHED CCC#C[C@H](C)Sc1n[nH]c(-c2ccccc2F)n1 677130849 IKAGVUYJIMKUSM-JTQLQIEISA-N 275.352 3.505 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCc2sccc2C1 684928604 OPAHPUJKWMXLMT-CYBMUJFWSA-N 278.421 3.561 30 20 CHED C=CCCC(C)(C)NCc1ccc(C(C)(C)O)cc1 717910535 HNMAGUCIGVZZAL-UHFFFAOYSA-N 261.409 3.748 30 20 CHED C=CCCC(=O)OCc1ccc(C(F)(F)F)cc1 726650868 MAZVCMJPMXCPJT-UHFFFAOYSA-N 258.239 3.715 30 20 CHED C=C(Br)CN1CCCC[C@H]1Cc1ccccc1 727222183 HHIFAMYAVNJGDJ-HNNXBMFYSA-N 294.236 3.992 30 20 CHED C#Cc1cccc(N(C(=O)/C(C)=C\CC)C(C)C)c1 728246822 JIGRDADOZFMHDI-ZROIWOOFSA-N 255.361 3.766 30 20 CHED C[C@H]1CC(=NNc2ccccn2)CCN1Cc1ccccc1 734295267 UZVSERIRSOUSJH-HNNXBMFYSA-N 294.402 3.534 30 20 CHED C=CC[C@@H](NC(=O)/C=C/C1CCCCC1)c1ccncc1 735472563 UGJWYWMAOZHIDK-OAGJVSPASA-N 284.403 3.952 30 20 CHED C=CCCCN(CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 735491979 MNXRWRQWNOZYNL-OAHLLOKOSA-N 296.455 3.674 30 20 CHED C=CCCCOC(=O)[C@@H](c1ccccc1)N(CC)CC 735536568 QTZLFNLVUWURAZ-MRXNPFEDSA-N 275.392 3.579 30 20 CHED C=C(Cl)CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 736240800 RRAJNXJBXDGCHA-UHFFFAOYSA-N 290.794 3.948 30 20 CHED CC(C)CN(CCC#N)Cc1ncc(-c2cccs2)o1 739914605 LSBLAWZJXGLWQI-UHFFFAOYSA-N 289.404 3.775 30 20 CHED C#CCCCNC(=O)Nc1ccccc1-c1cccs1 743085042 UBJDSNZBIGOYKQ-UHFFFAOYSA-N 284.384 3.950 30 20 CHED C[C@@H](NC(=O)/C=C\c1cccc(F)c1)c1cccc(C#N)c1 743776651 DBYZQONOSGKONO-LJTDUEICSA-N 294.329 3.588 30 20 CHED CCCCCCCC(=O)NCCCC(F)(F)F 743779272 TYXCSOAWRMXSOF-UHFFFAOYSA-N 253.308 3.806 30 20 CHED C=CCCOC(=O)[C@H](C)CCc1cccc(F)c1 744048752 AHKCVGDPSFFPBC-GFCCVEGCSA-N 250.313 3.514 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCC[C@H](C)C3)[nH]c12 744160125 KNYIKECGQVYYDV-FPMFFAJLSA-N 295.386 3.874 30 20 CHED CCC[C@@H](C)CC(=O)Oc1ccc(C#N)cc1OCC 748610874 SSYPHXSBYQLYLQ-GFCCVEGCSA-N 275.348 3.689 30 20 CHED N#Cc1ccc(OC(=O)Cc2coc3cc(F)ccc23)cc1 748665010 VJIIGXDRVLZHPS-UHFFFAOYSA-N 295.269 3.592 30 20 CHED C=C(C)CCOC(=O)[C@@H]1C[C@@H]1c1sccc1C 748875550 HCVHMOJIGZDLJF-NWDGAFQWSA-N 250.363 3.669 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H](c1cccnc1)C(C)C 751291603 NDQQMRJZQNAWIZ-RVZJCZPVSA-N 298.386 3.655 30 20 CHED N#CCCCCON=C(c1ccccc1)C(F)(F)F 751966250 WZZDXSAJEUCCHB-UHFFFAOYSA-N 270.254 3.663 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc2c(c1)CCCC2 755818516 CLWHJMUTSZHHRL-KRWDZBQOSA-N 273.376 3.833 30 20 CHED Cc1ccnc(NN=C2C[C@@H](C)c3c(F)ccc(O)c32)c1 755900114 KCLXYBFNOOVWTQ-SNVBAGLBSA-N 285.322 3.558 30 20 CHED CSc1cc(C)ccc1C/N=C/c1cccc(O)c1O 756775013 LHFNWTPFCQWERB-LICLKQGHSA-N 287.384 3.747 30 20 CHED C#CC[C@H](NC(=O)N[C@H]1CCC[C@H](C)C1)c1ccccc1 757009134 ABMJBJMSPFQOGJ-XIRDDKMYSA-N 284.403 3.629 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 757234668 ZBCFYPRVYIRLKL-ZDUSSCGKSA-N 297.358 3.878 30 20 CHED N#Cc1ccc(CNC/C=C/c2ccc(F)cc2F)cc1 757807495 GINFTCNRENEDKZ-OWOJBTEDSA-N 284.309 3.639 30 20 CHED N#Cc1cc(COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)ccc1F 758916979 XTJGFXULOWBMMS-FPMFFAJLSA-N 287.334 3.567 30 20 CHED C[C@@H]1CCN(c2snc(Cl)c2C#N)CC1(C)C 758953919 IRTBIIGIFNWJPZ-MRVPVSSYSA-N 269.801 3.541 30 20 CHED COCCCC(C)=NNc1ccc(OC(F)F)cc1 759196987 OWGFDVPQUXMCPV-UHFFFAOYSA-N 272.295 3.502 30 20 CHED CCC1(CNC(=O)/C=C/c2ccccc2C#N)CCCC1 760719377 OCYRGXOIBPGPEA-MDZDMXLPSA-N 282.387 3.658 30 20 CHED C#CCCCCCc1nc(-c2ccccc2COC)no1 761693432 DQRCEHBFYFVMNE-UHFFFAOYSA-N 284.359 3.619 30 20 CHED CC(=NNC(=S)Nc1ccc(C)cc1C)C(F)(F)F 761745803 MMSGHENADMYDOQ-UHFFFAOYSA-N 289.326 3.528 30 20 CHED N#CCCCCSc1nnc(-c2ccccc2)s1 762629571 FEEBSIZPYSAHBV-UHFFFAOYSA-N 275.402 3.991 30 20 CHED CCCCCC1=CCCC1=NNc1ccc(C(=O)O)cn1 763372081 QRHVQQUTSYKSML-UHFFFAOYSA-N 287.363 3.848 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@H]2Cc3ccccc32)cc1 765755961 VAUVXVRPNRJMRH-CRAIPNDOSA-N 291.394 3.689 30 20 CHED CCc1cccnc1C(=O)OCC#Cc1ccc(Cl)cc1 766659072 PLWRCFFFXYALBM-UHFFFAOYSA-N 299.757 3.506 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1ccoc1 771939859 LWCFZIZJIWLWGY-CQSZACIVSA-N 265.397 3.935 30 20 CHED COc1ccc(C#N)cc1COC(=O)CCC1CCCC1 772246157 PZPMBBNYZDPAOO-UHFFFAOYSA-N 287.359 3.580 30 20 CHED C#C[C@H](C)NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 772976275 KNOQHFQIKLKFMN-YGRGUWMTSA-N 299.370 3.566 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 773315778 ZEFQPWABYRSQJC-MRXNPFEDSA-N 297.398 3.743 30 20 CHED C=C(CC)COC(=O)/C=C(/C)c1ccccc1OC 773504674 DVSVXEPAOXYHQK-RAXLEYEMSA-N 260.333 3.608 30 20 CHED CC1(C)C(=NOC2CCOCC2)C[C@@H]1c1ccccc1 774436310 ZHIMBMBFXVGWFE-OAHLLOKOSA-N 273.376 3.752 30 20 CHED C#C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 775571469 HMPRFNRZRFFNBV-ONERCXAPSA-N 298.213 3.825 30 20 CHED N#CC1(COC(=O)c2cc(F)c(Cl)cc2Cl)CC1 775839427 QUVMLSWVEPQLLK-UHFFFAOYSA-N 288.105 3.593 30 20 CHED CCCCCCCC(=O)NC[C@@H]1COC2(CCCCC2)O1 775841474 ZCWBZQPRBHHIRQ-OAHLLOKOSA-N 297.439 3.539 30 20 CHED C#CCOc1ccccc1NC(=O)C1CCCCCCC1 775951773 OPEVNTIQUGHYQP-UHFFFAOYSA-N 285.387 3.998 30 20 CHED O=C1/C(=C/c2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 776191941 GHXDVMVGNXPHPR-UKTHLTGXSA-N 297.285 3.946 30 20 CHED N#C[C@H](OC(=O)C(F)(F)c1ccccc1)C1CCCCC1 776374062 HVUDKUGNQKBPET-AWEZNQCLSA-N 293.313 3.794 30 20 CHED CC(=NNc1nc(-c2cc(C)no2)cs1)c1ccccc1 776724600 YNYGQFGFAVZVST-UHFFFAOYSA-N 298.371 3.943 30 20 CHED C=CCN(CCc1ccco1)C(=O)NC[C@H](C)C(C)(C)C 779352503 LHFKOEBUXRNAHN-AWEZNQCLSA-N 292.423 3.702 30 20 CHED CCc1ccc(CCC=NNc2ccc(OC)cn2)cc1 780270343 GLRQUUBJNNAGIO-UHFFFAOYSA-N 283.375 3.683 30 20 CHED COc1ccc(NN=C(C)c2ccc(F)cc2Cl)nc1 780275295 SPEWORYNOVFFNA-UHFFFAOYSA-N 293.729 3.719 30 20 CHED N#CC1(COC(=O)c2cc3ccsc3[nH]2)CCCCC1 780487363 JVZZHPIGNAKQKW-UHFFFAOYSA-N 288.372 3.860 30 20 CHED C[C@@H](CC=NNc1ccnc(F)c1)c1ccccc1 781133683 GIWBKXGRHIURCE-LBPRGKRZSA-N 257.312 3.812 30 20 CHED Cc1cccnc1C=NOc1ccccc1C(F)(F)F 781597068 QCPDXTFVPWHPTO-UHFFFAOYSA-N 280.249 3.822 30 20 CHED CCOC(=O)[C@@H]1CCC(=NN[C@@H]2CCCC2(C)C)[C@H](C)C1 782302895 VCBKNLWWLWCWBS-UMVBOHGHSA-N 294.439 3.510 30 20 CHED CC(C)(C)CCNN=Cc1ccccc1OC(F)F 782903112 PXIFFUXRIDJUGU-UHFFFAOYSA-N 270.323 3.648 30 20 CHED CC(C)(C)CCNN=Cc1cccc2cccnc12 782908620 WVOIWISLYMFLQY-UHFFFAOYSA-N 255.365 3.595 30 20 CHED CCCC(=NNc1ccc(F)cn1)c1ccsc1 785453747 LSWXUKBJNGGQEN-UHFFFAOYSA-N 263.341 3.899 30 20 CHED CC[C@@H](C#N)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786455193 CUDMHOKVQAORKE-NEPJUHHUSA-N 270.332 3.507 30 20 CHED C=CCCN(C)C(=O)/C(C)=C\c1cccc(Cl)c1 786669948 JWEWDILKLWZNPR-BENRWUELSA-N 263.768 3.778 30 20 CHED CCCCCCCOC(=O)Cc1ncc(C)s1 787015450 ZTXJNYJVRIZPFG-UHFFFAOYSA-N 255.383 3.508 30 20 CHED C#CCC1(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)CCCCC1 788168502 MQTOZKXDTIIROA-HOCLYGCPSA-N 299.414 3.993 30 20 CHED C#CCC1(C(=O)OCc2cnc(Cl)s2)CCCCC1 788211721 PHKTUYQIZNFPTD-UHFFFAOYSA-N 297.807 3.814 30 20 CHED Cc1cc(C(=O)/C=C\c2csc3ccccc23)n(C)n1 789159956 RTKZWNHUITXAFO-FPLPWBNLSA-N 282.368 3.839 30 20 CHED CC(=NNCc1ccc(C(F)(F)F)cc1)c1cc(C)on1 790287109 MMSNMBSOVCMIRD-UHFFFAOYSA-N 297.280 3.516 30 20 CHED C#CCN(C)C(=O)C1(c2ccc(Cl)cc2)CCCCC1 790962874 SCHSEXUPUATCOH-UHFFFAOYSA-N 289.806 3.634 30 20 CHED C=CCN(Cc1c(O)ccc(Cl)c1F)C(C)C 792162538 KSISAUAWQMEDDB-UHFFFAOYSA-N 257.736 3.581 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(OCC2CC2)cc1 792553191 HYZBTVJLUVGNON-UHFFFAOYSA-N 286.371 3.568 30 20 CHED CCc1cccc2c(C=NNCCC(F)(F)F)c[nH]c12 794544730 DWZGRZZSQHFADA-UHFFFAOYSA-N 283.297 3.606 30 20 CHED CCC(Cc1ccc(C)cc1)=NNCCC(F)(F)F 794551091 AFQALCYHLPWKGN-UHFFFAOYSA-N 272.314 3.846 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccccc1C(F)(F)F 794691136 MILVTRUIIZPINH-FPLPWBNLSA-N 294.276 3.643 30 20 CHED O=C1c2ccccc2CN1N=C/C=C\c1ccc(F)c(F)c1 794928124 BJOHQNCTICWJTM-MTSIVMMLSA-N 298.292 3.620 30 20 CHED Cc1ccc(C(C)C)c2c1C(=NNc1cncnc1)CCO2 794976191 GMHKQPLHPBKWER-UHFFFAOYSA-N 296.374 3.507 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1cccc(C#N)c1F 796325603 NXRIAXZMFHAWCK-INIZCTEOSA-N 277.339 3.957 30 20 CHED CC[C@H](NCc1ccc(C#N)cn1)c1cccc(C)c1 796950214 SZWKMRZVCRLANL-KRWDZBQOSA-N 265.360 3.503 30 20 CHED C#CCOc1ccccc1OC(=O)c1sccc1Cl 797002561 XCBPDDGEQZZASQ-UHFFFAOYSA-N 292.743 3.633 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1ccc(C)s1 798386456 RNVSVBKFQXZWQW-VXGBXAGGSA-N 266.410 3.771 30 20 CHED N#Cc1ccc(Cl)cc1N1CC[C@@H](c2ccccn2)C1 798414889 CWRVVLMZTRBOKS-CYBMUJFWSA-N 283.762 3.601 30 20 CHED Cc1nn(C(C)C)cc1C=NNc1nccc2sccc12 799108902 OAWROXWWCONVSZ-UHFFFAOYSA-N 299.403 3.828 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1C#N 799293495 LVGVGNIPUUDQLF-UHFFFAOYSA-N 290.244 3.536 30 20 CHED FCCC[C@H]1CCCC1=NNCCCOc1ccccc1 800813185 RQMQQPZSWIFLTJ-OAHLLOKOSA-N 292.398 3.951 30 20 CHED C#Cc1cccc(NC(=S)N2CCc3cc(F)ccc32)c1 800826725 DPXYDBUZVFLUGH-UHFFFAOYSA-N 296.370 3.567 30 20 CHED CC#CC(=O)Nc1ccc(OCC2CCCCC2)cc1 801145674 GESSHWUWYSBIGI-UHFFFAOYSA-N 271.360 3.608 30 20 CHED CCCN(CCO[C@@H](C)C#N)Cc1c(F)cccc1Cl 801914609 YPUMXMLQEROAJR-LBPRGKRZSA-N 298.789 3.620 30 20 CHED CC(C)C(Cn1cccn1)=NNc1ccc(Cl)cc1 802703909 LLDWSXABNGCZSO-UHFFFAOYSA-N 276.771 3.661 30 20 CHED CC(C)SCCOC(=O)c1ccc(C#N)c(Cl)c1 803450298 GOSZHWXOKVZMSB-UHFFFAOYSA-N 283.780 3.510 30 20 CHED C=CCCCCCCNc1ncccc1-c1nc(C)no1 804851174 MSRKAHDKFSBVAO-UHFFFAOYSA-N 286.379 3.988 30 20 CHED COCC(C)(C)CCC/N=C/c1cc(Cl)ccc1O 806550974 PDHFJSUKUKDHJR-LICLKQGHSA-N 283.799 3.917 30 20 CHED Cc1ccc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)s1 806560251 KFZWTPQDZMSKHM-QIENPNARSA-N 298.363 3.895 30 20 CHED C=CCOC(=O)c1sc2cccc(F)c2c1C 807609504 DSDXEQSIIWCOSF-UHFFFAOYSA-N 250.294 3.692 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](CC)c1ccccc1OC 807727397 DKFAHAGNJXSSPG-INIZCTEOSA-N 287.403 3.798 30 20 CHED C[C@@H]1CC(=NNc2ccc3[nH]ncc3c2)c2ccccc21 807981576 OZQFPEDGLVUMQT-LLVKDONJSA-N 276.343 3.886 30 20 CHED C#CCCc1noc(C(C)(C)c2ccc(Cl)cc2F)n1 809396344 CVBNQWCFKMLTCE-UHFFFAOYSA-N 292.741 3.754 30 20 CHED C#Cc1ccc(CN2CC[C@H](COc3ccccc3)C2)cc1 809637244 PZYDHWRPUHJQOI-IBGZPJMESA-N 291.394 3.569 30 20 CHED C/C(C=NOCC(F)F)=C\c1ccccc1OC(F)F 811647471 OAJKAHJQYXGAHM-MVHURUJQSA-N 291.244 3.959 30 20 CHED CCOc1cc(C=NOC/C=C\Cl)cc(Cl)c1O 811670760 CBVDCUZDEUSURD-CVBINVGWSA-N 290.146 3.547 30 20 CHED O=C1/C(=C/c2cnn3ccccc23)Oc2cccc(Cl)c21 811699528 TVVUUHDEEVNZDR-ZSOIEALJSA-N 296.713 3.604 30 20 CHED C#C[C@H](NC(=O)N[C@H](C)C1CCC1)c1ccc(Cl)cc1 811898427 QHSBJAKOJOGWMB-ABAIWWIYSA-N 290.794 3.502 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1csc2ccccc12 812033203 ZKCPOHNWYINWDB-RYUDHWBXSA-N 286.400 3.625 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc(C)cc1C 812444334 CTRSJBOLCMOQDT-UHFFFAOYSA-N 282.343 3.838 30 20 CHED CCCCCCCCCN(C)C(=O)c1nccn1CC 813418584 NRYJEMDHJJYPRU-UHFFFAOYSA-N 279.428 3.726 30 20 CHED N#Cc1ccc(COC(=O)c2cc(F)ccc2Cl)cc1 814510397 MYMMZGDSMIDCSN-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CCc1ccc(C#CC(=O)N(Cc2ccco2)C(C)C)cc1 814653136 GJEKRULEZVATOM-UHFFFAOYSA-N 295.382 3.631 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CC[C@H]2C2CCC2)c1 814891163 BTLDLRUKXFZNGQ-NSHDSACASA-N 274.755 3.585 30 20 CHED C=CCC(F)(F)C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 815064496 FKMRAENXYNNTCH-NSHDSACASA-N 285.309 3.947 30 20 CHED C=CCC(F)(F)C(=O)N1CCC(CC)(CC)CC1 816192301 IPZSYGRFIQQVPE-UHFFFAOYSA-N 259.340 3.627 30 20 CHED C=CCN(CCC#N)C(=O)/C(C)=C\c1ccc(Cl)cc1 816803384 YSJSQDQNFUBHJC-SEYXRHQNSA-N 288.778 3.672 30 20 CHED C[C@H]1CC(=NN[C@H](C)c2ccncc2)c2ccccc21 819817516 AECNUMRIKYDTEC-QWHCGFSZSA-N 265.360 3.644 30 20 CHED CC(C)(C#N)CCCNc1cccc(NC(=O)O)c1 826071112 IMOGZJDQQHDBPQ-UHFFFAOYSA-N 261.325 3.518 30 20 CHED C/C(=C\C(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccco1 827855469 DMPHIXGLQCDERZ-HVJHFUJKSA-N 286.375 3.662 30 20 CHED CCCC[C@@H](CCC)N[C@H](C(=O)O)c1ccc(C#N)cc1 829287145 ZGTFTGQMARXXMH-CVEARBPZSA-N 288.391 3.632 30 20 CHED Cc1ccc(CN(C)Cc2ccc(OCC#N)cc2)cc1C 832633966 JHVULTSBRWPXAZ-UHFFFAOYSA-N 294.398 3.838 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(C(=O)O)cc1 832984420 PWFQYZPVCAKUDQ-SREVYHEPSA-N 272.325 3.651 30 20 CHED C=CCCCc1nc(C[C@@]2(C)CC2(Cl)Cl)no1 834868911 CGFWKACJBICIOR-NSHDSACASA-N 275.179 3.705 30 20 CHED C=CC(C)(C)CN[C@@H](c1ccccc1)C1CCOCC1 834884509 ZVFTVNPFPAWQET-KRWDZBQOSA-N 273.420 3.956 30 20 CHED CC(C)(C)C(=O)CCCC(=O)O[C@@H](C#N)C1CCCCC1 835340678 CHAFMZQXXZREBS-AWEZNQCLSA-N 293.407 3.788 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(OC(C)C)cc1C)C(C)C 836310114 OIPPXNJQMOIECD-OAHLLOKOSA-N 288.391 3.562 30 20 CHED C[C@H]1CCN(C(=O)C#CC(C)(C)C)[C@H](c2ccco2)C1 837449815 VFOPFLLICIPMLV-KBPBESRZSA-N 273.376 3.629 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2noc(C)n2)CCCCC1 838153101 AYMKJBRWVQHPKY-LLVKDONJSA-N 278.352 3.509 30 20 CHED CC(=NOCc1ccccc1)c1c(F)cccc1F 839418482 UKUXOXSAHXTCGG-UHFFFAOYSA-N 261.271 3.906 30 20 CHED C=C(C)CCNC(=S)Nc1cccc(Cl)c1C 840792620 MPRARDOWFYEBSJ-UHFFFAOYSA-N 268.813 3.901 30 20 CHED C[C@H]1C[C@@H]1C=NNc1cc(F)ccc1Br 841655477 RWPMXNXMXXWMRS-JGVFFNPUSA-N 271.133 3.642 30 20 CHED C[C@@H]1C[C@H]1C=NNc1cc(F)ccc1Br 841655480 RWPMXNXMXXWMRS-SFYZADRCSA-N 271.133 3.642 30 20 CHED C[C@H](OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C(C)(C)C#N 842324811 GKHKEVGFISQQGH-QEORTHHSSA-N 271.360 3.662 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H](C)C2CCC2)n1 842491549 LTQFFXDPOODQKN-LBPRGKRZSA-N 282.343 3.652 30 20 CHED CO[C@H](C#N)c1ccc(-c2cccc(CN(C)C)c2)cc1 844230473 YSIWOUNPFZMCDV-GOSISDBHSA-N 280.371 3.626 30 20 CHED Cc1cccc(-c2ccc([C@@H](O)C3CC3)cc2)c1C#N 844231333 QFSPWDJULMAVDE-GOSISDBHSA-N 263.340 3.977 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(C)(C)C 844563717 SQWVTKJDABRTPW-SMDDNHRTSA-N 277.795 3.608 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 847168718 OAEHXUOTXJDGIK-MFKMUULPSA-N 298.308 3.569 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cc(C)on2)c(C)c1 849247836 HDFIKUBXBXVERB-VURMDHGXSA-N 285.343 3.976 30 20 CHED C=CCCCCOC(=O)CCC(=O)c1c(F)cccc1F 850274530 WARCZZGUTUMIKY-UHFFFAOYSA-N 296.313 3.827 30 20 CHED C=CCC1(NC(=O)Nc2cc(N)ccc2C)CCCC1 850752041 JPHQOPAEKAKWNB-UHFFFAOYSA-N 273.380 3.588 30 20 CHED C#CC[C@H](OC(=O)CC[C@H]1CC1(Cl)Cl)C(C)C 850874256 WZLWXYASFYIMAD-QWRGUYRKSA-N 277.191 3.552 30 20 CHED C=C[C@@H](OC(=O)C[C@H](OCC)C(=C)C)c1ccccc1 851452871 XTFWIBWLUKVPHA-CVEARBPZSA-N 274.360 3.828 30 20 CHED C=CCCCCCCNC(=O)CCc1cccnc1Cl 854452323 UDOHWNXPOVGEDP-UHFFFAOYSA-N 294.826 3.920 30 20 CHED C=CCN[C@@H](C)c1ccc(C(F)(F)F)nc1Cl 856778108 HPFDRBINLCGEEL-ZETCQYMHSA-N 264.678 3.590 30 20 CHED CCCCCCCNC(=O)N(C)Cc1ccc(C#N)cc1 858110149 KOROCOCBURTZPO-UHFFFAOYSA-N 287.407 3.670 30 20 CHED CCCC(=NNc1ccncn1)c1cc(C)sc1C 863116045 HDTHRNSEPRMQEJ-UHFFFAOYSA-N 274.393 3.771 30 20 CHED CSc1ccc(C)c(C(=O)Oc2ccc(C#N)cc2)c1 874097150 ILIBWLZORZYBBV-UHFFFAOYSA-N 283.352 3.808 30 20 CHED C[C@H](CCC#N)CN[C@H](c1ccccc1)C1CCOCC1 877042767 WRDLJJGJPXHVAU-CRAIPNDOSA-N 286.419 3.684 30 20 CHED C=C/C=C\CCNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 883912749 AMOMJYOXOOPZMF-WAYWQWQTSA-N 297.402 3.611 30 20 CHED C=C1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 887732473 WCBNAMXGOLQFRD-UHFFFAOYSA-N 274.320 3.588 30 20 CHED C=C[C@H](C)NC(=O)c1c(Cl)cccc1C(F)(F)F 889472561 YFBSUXBPLFMFJR-ZETCQYMHSA-N 277.673 3.663 30 20 CHED C#Cc1ccc(C(=O)N(c2ccccc2)[C@H](C)C(C)C)nc1 894224562 GRTIIKBIDYFZHW-OAHLLOKOSA-N 292.382 3.754 30 20 CHED O=C(C[C@@H]1CCCCO1)N(O)Cc1cccc2ccccc12 901370995 KCUJJGYXGBXJRM-INIZCTEOSA-N 299.370 3.517 30 20 CHED C(=NNC1CCCC1)c1cccc(Oc2ccccn2)c1 905442869 DHVMWPQINCBLLC-UHFFFAOYSA-N 281.359 3.740 30 20 CHED N#CCCCCOC(=O)c1cc2c(F)cccc2s1 914616479 NUGBITQSCLCLJS-UHFFFAOYSA-N 277.320 3.891 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NNc1ccc(F)cc1 915934799 MACHTZGXLZEBGY-UHFFFAOYSA-N 294.761 3.782 30 20 CHED COc1cc(C=NNc2ccc(F)cc2)cc(Cl)c1O 916267974 BDDKKNAORVZCGJ-UHFFFAOYSA-N 294.713 3.639 30 20 CHED Cc1ccc(C=NNc2ccc3ccccc3n2)cc1 916286502 IXPAFHQHLRZETH-UHFFFAOYSA-N 261.328 3.989 30 20 CHED CCc1ccc(C=NNc2ncnc3sccc23)cc1 916368225 KDMHUOODGQONIH-UHFFFAOYSA-N 282.372 3.700 30 20 CHED CCOc1cccc(N=Cc2c(O)cccc2OC)c1 917557491 OTABAUWSJVLZLH-UHFFFAOYSA-N 271.316 3.550 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Nc1cc(C)nn1C 918135449 HBSZOEBDUSJMAG-CYBMUJFWSA-N 294.443 3.847 30 20 CHED Oc1cccc(C=Nc2ccc(C(F)(F)F)cc2)c1O 920942790 QMXTVTYTOUZRDS-UHFFFAOYSA-N 281.233 3.867 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cccc3c1OCO3)C2=O 921268689 DGTFCYXFKUHLBY-RIYZIHGNSA-N 278.307 3.546 30 20 CHED CC(C)CCN1CCC(N[C@H](C)c2cccc(C#N)c2)CC1 925185535 MJYCLAPRHBWRPL-MRXNPFEDSA-N 299.462 3.719 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1cccc(-n2cccn2)c1 925187634 DRKWCGNKMGTJTF-HUUCEWRRSA-N 296.418 3.851 30 20 CHED CCOc1ccccc1CCN[C@@H](C)CC(C)(C)C#N 925367170 JADMJBYQSNYZJU-AWEZNQCLSA-N 274.408 3.546 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)Nc2sccc2C#N)C1 931833433 FDRRLIDNAHSDBB-NSHDSACASA-N 277.393 3.520 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC(F)F)cc1F 935799587 NBLWYTJRBNZTSA-VIFPVBQESA-N 287.281 3.512 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCC3)Cc2c(O)cccc21 1116138945 AMNPVIWKIPZWGV-GDNBJRDFSA-N 276.335 3.703 30 20 CHED O=C(CC#Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 1116267531 ZRNXLMGNBPUIGA-UHFFFAOYSA-N 293.410 3.513 30 20 CHED Cc1ccc(C)c(Cc2nnc(-c3cccc(C#N)c3)o2)c1 1117231667 LBTNAKWPUXBKKC-UHFFFAOYSA-N 289.338 3.816 30 20 CHED C[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F 1117890683 VMDQWCRQBNQNNF-GMXVVIOVSA-N 293.313 3.694 30 20 CHED CCCCNc1nnc(SCC(C)(C)CC#N)s1 1118405778 LMANEUGSCXVDGD-UHFFFAOYSA-N 284.454 3.782 30 20 CHED N#CCCCc1nnc(-c2cc3c(s2)CCCCC3)o1 1118426325 MSPMWWSGMYXBNW-UHFFFAOYSA-N 287.388 3.913 30 20 CHED C[C@H]1CC(=O)Oc2cc(OCc3ccc(C#N)s3)ccc21 1119535127 UKPDXFGLSACZCU-JTQLQIEISA-N 299.351 3.611 30 20 CHED C=C(CC)C(=O)N1CC[C@@H](CSc2ccccc2)C1 1123721749 SBFSIIDVAHRRBN-CQSZACIVSA-N 275.417 3.593 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1nccc2ccccc12 1157881779 PRTOOJOFSYFGCB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED COC[C@H](Sc1ncc(C#N)cc1F)c1ccccc1 1164270884 OMSDYWDVQVNHLA-AWEZNQCLSA-N 288.347 3.572 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccc(C)c(C#N)c2)C1 1166712863 QYRMCUKRKHXPHL-UHFFFAOYSA-N 284.403 3.909 30 20 CHED Cc1cc(OCCc2c(F)cccc2F)ccc1C#N 1189245102 DKTVOKACXJFYGI-UHFFFAOYSA-N 273.282 3.766 30 20 CHED C=CCC(F)(F)c1nnc(-c2ccc(CC)cc2)o1 1252947484 UOTQDBBJZVHLOV-UHFFFAOYSA-N 264.275 3.967 30 20 CHED CC(C)(C)c1nnc(-c2ccc(C#N)c(Cl)c2)o1 1261432004 WACARWIZWOXEDW-UHFFFAOYSA-N 261.712 3.559 30 20 CHED C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(CC#N)cc1 1265753767 KPCANZXFLYMELZ-CYBMUJFWSA-N 298.411 3.517 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccc(CCC)cc1 1318065578 WTXBLFIQMCWVSL-INIZCTEOSA-N 256.798 3.640 30 20 CHED N#Cc1c[nH]c2ccccc2c1=NCc1ccc2c(c1)CCC2 1318724865 WPAFAVMFLAIDBV-UHFFFAOYSA-N 299.377 3.629 30 20 CHED CC(C)[C@H]1CCC[C@H](Nc2cccc(CC#N)n2)C1 1320490599 NFSDOZFLPLPPRW-ZFWWWQNUSA-N 257.381 3.774 30 20 CHED CC#CCCCC(=O)Oc1ccc(C)c2c1C(=O)C[C@@H]2C 1321213719 QISBSGWNOHYQSA-ZDUSSCGKSA-N 284.355 3.784 30 20 CHED Cn1cc(-c2ccc(CNc3cccc(C#N)c3)cc2)cn1 1321496242 JHTCUDDUADSJPI-UHFFFAOYSA-N 288.354 3.571 30 20 CHED C#Cc1ccc(CNc2cccc(CN3CCCC3)c2)cc1 1323653496 VSPTVKZJFWWKJA-UHFFFAOYSA-N 290.410 3.876 30 20 CHED Cc1ccc(NN=Cc2cnc(N(C)C)s2)cc1Cl 1324434479 ZLWBGMBLTHKWSD-UHFFFAOYSA-N 294.811 3.617 30 20 CHED C#CCCCCc1nnc([C@@H](C)Oc2ccccc2F)o1 1326093213 SLKMVQJSUMUEEB-GFCCVEGCSA-N 288.322 3.695 30 20 CHED CC(C)c1ncc(-c2nnc(-c3cccc(C#N)c3)o2)s1 1326304522 DIAGULYSCSCWGO-UHFFFAOYSA-N 296.355 3.855 30 20 CHED Cn1ccc(NN=C2CCCC[C@@H]2C2CCCCC2)n1 1327800628 NWUZMSBIKOJQPW-CQSZACIVSA-N 274.412 3.959 30 20 CHED C=C[C@@H](COC)N[C@H]1CCCc2ccc(SC)cc21 1328399772 JVZQBBPHLAVSII-BBRMVZONSA-N 277.433 3.577 30 20 CHED C#CCCCCC(=O)Nc1ccccc1C(C)(F)F 1330798970 MIHUZCSGARISLY-UHFFFAOYSA-N 265.303 3.930 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC#Cc1ccccc1 1332982892 MVDCKVLFOWKPJZ-NJAFHUGGSA-N 281.399 3.608 30 20 CHED CSc1cc(O)ccc1NC(=O)c1cccc(C#N)c1C 1339998682 PKPUPWVIENWJRB-UHFFFAOYSA-N 298.367 3.547 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccccc1OC(C)C 1346178243 GXKWKYJUIWYMPS-ZDUSSCGKSA-N 261.365 3.617 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 1347511952 OTIAFCLKHGGNLO-CQSZACIVSA-N 268.360 3.739 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@H](C#N)Cc1ccc(F)cc1F 1347944941 LCBNJNLXMAQSMJ-FZMZJTMJSA-N 293.313 3.545 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)OCc1ccc(C#N)s1 1349878855 VAKFXMRRPSLWQD-LBPRGKRZSA-N 285.368 3.542 30 20 CHED CCC(=O)N(C)c1ccc(Nc2cccc(F)c2C#N)cc1 1472865454 FYLIDWPDHBQPQB-UHFFFAOYSA-N 297.333 3.814 30 20 CHED CC[C@H](C)[C@@H](C)N(Cc1ccc(C#N)cc1OC)C1CC1 1473156562 WUPNDUYJVQTWDA-UONOGXRCSA-N 286.419 3.966 30 20 CHED CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2C)C12CCCC2 1473457201 QTRLJNUTPCMFRL-ZWKOTPCHSA-N 298.430 3.694 30 20 CHED Cc1ccc(C2(C(=O)Nc3cccc(C#N)c3)CCC2)cc1 1523612407 OXYWEGGLTXBYHH-UHFFFAOYSA-N 290.366 3.927 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@H](F)C(F)(F)F 1525265515 CKABHSSKCBYVJM-LBPRGKRZSA-N 296.223 3.550 30 20 CHED C[C@@H](OC(=O)C1C(C)(C)C1(C)C)c1cccc(C#N)c1 1525571421 CTYNTQWPWKYMHX-LLVKDONJSA-N 271.360 3.845 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C)cc(C#N)c1 1528385887 CTVBMNGOZUXDTB-UKRRQHHQSA-N 256.349 3.632 30 20 CHED Cc1ccc(C(=O)Nc2ccc3occc3c2)cc1C#N 1532063528 GMDHZRPTLAAGFZ-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C[C@@H]1C[C@@H](OC(=O)c2ccc(C#N)cc2)CC(C)(C)C1 1543196451 QWTHJRYVGCVTQL-IUODEOHRSA-N 271.360 3.930 30 20 CHED N#Cc1cc(=N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc[nH]1 1559212573 OYIALORVMCPOHJ-DZGCQCFKSA-N 297.789 3.777 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1Nc1ncc(C#N)cc1Cl 1559230215 XKZJZVXQGDJCTQ-DZGCQCFKSA-N 283.762 3.883 30 20 CHED C[C@@H](Sc1ncc(C(=O)O)s1)c1cccc(C#N)c1 1593678293 IVPGAZBBWGYQFO-MRVPVSSYSA-N 290.369 3.566 30 20 CHED CCCC[C@@H](S[C@H](C#N)C1CCCCC1)C(=O)O 1595652646 WBUUHKURDPKYPU-CHWSQXEVSA-N 269.410 3.835 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)c1ccc(C)cc1O 1602992143 KTMGBBBIZDETAC-UHFFFAOYSA-N 298.342 3.543 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1NCCc1ccc(C#N)cc1 1621004396 WITYHCWFJTUKNN-CJNGLKHVSA-N 256.393 3.515 30 20 CHED CN(C(=O)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 1624013576 ORYHMYCRJLMPLA-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CC[C@]1(C)CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1629922459 SGUMACAXMDJCJR-SJLPKXTDSA-N 284.403 3.723 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2Cc1ccc(F)c(C#N)c1 1641984760 PBQQEEHAVOZTDD-CYBMUJFWSA-N 296.345 3.793 30 20 CHED Cc1cc(Oc2cc(Cl)ccc2C#N)ncc1C#N 1642430900 FOCPIWBBTBWPBF-UHFFFAOYSA-N 269.691 3.579 30 20 CHED CC(C)[C@H]1CCC[C@H](Nc2cccc(C#N)n2)CC1 1650991448 RRSWCXGDDIDFJG-KBPBESRZSA-N 257.381 3.970 30 20 CHED Cc1nc(C#N)cc(N[C@@H](c2ccc(F)cc2)C2CCC2)n1 1655109270 IJEFIMXHYQUOFZ-QGZVFWFLSA-N 296.349 3.749 30 20 CHED C=C(Cl)CNC1(c2ccc(F)cc2)CCCC1 1657726332 ZCTKPJOJKOPPHP-UHFFFAOYSA-N 253.748 3.937 30 20 CHED CCOc1ccc(C#N)cc1NCc1cc2cnccc2o1 1662601259 UKGRWFILQMMFSB-UHFFFAOYSA-N 293.326 3.710 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 1679884901 DFYRNZIVVJZFCQ-LBPRGKRZSA-N 289.354 3.741 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)C12CCC(CC1)C2 1776038380 HQWNFFFBZIKEOS-UHFFFAOYSA-N 272.348 3.753 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@H]2CCC(C)(C)C2)C1 1776153662 SDZYUXMUDQCSAP-WMLDXEAASA-N 279.424 3.556 30 20 CHED C[C@H]1CCc2c(sc3ncnc(SCCC#N)c23)C1 9643806 DUSSFVQEYBDKOX-VIFPVBQESA-N 289.429 3.822 30 20 CHED C=CCNC(=O)c1ccc(-c2ccccc2Cl)o1 15424810 MUHMVNDQBFEXDU-UHFFFAOYSA-N 261.708 3.516 30 20 CHED CC[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)O 22865127 YQPWSCLKMOBFJX-CQSZACIVSA-N 298.367 3.576 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 23164319 XNJDZNZWUSDREI-JXMROGBWSA-N 267.284 3.799 30 20 CHED C[C@@H](CC(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1 32614320 QCQCRUBMFZLVIL-HNNXBMFYSA-N 292.382 3.710 30 20 CHED C=C(C)CSc1nnc(-c2ccc(Cl)cc2)n1C 47819525 IFLNJRRRGCJYDV-UHFFFAOYSA-N 279.796 3.804 30 20 CHED C=C(C)CSc1nccn1-c1cccc(OC)c1 48398161 HHGGFWBRILIMDM-UHFFFAOYSA-N 260.362 3.549 30 20 CHED CC(C)(C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 49866441 PNSYLIYTLNTXBU-AWEZNQCLSA-N 272.392 3.711 30 20 CHED C[C@@H](c1ccccc1F)N(C)Cc1ccccc1C#N 52073729 CIKRBOXNBNHREQ-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)cc1 54801701 FJYISVDEZHARBW-WAPJZHGLSA-N 280.323 3.526 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C/c1ccsc1 56476633 WNWSYHIVWFQXCF-GQCTYLIASA-N 298.367 3.670 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1C(F)(F)F 57157914 HMIRPYVUQRNZNS-UHFFFAOYSA-N 271.282 3.744 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 57737062 NSPADICNVJDPRZ-RVFSUOIPSA-N 293.322 3.579 30 20 CHED CC(=O)c1ccc(C)cc1OCc1ccc(C#N)cc1 58451615 XIXKAIOVSZOCCI-UHFFFAOYSA-N 265.312 3.648 30 20 CHED N#Cc1cccc(OCc2ccc(OC(F)F)cc2)c1 60422627 URGQLOOKKNHQIV-UHFFFAOYSA-N 275.254 3.739 30 20 CHED CC(C)CNC(=O)Nc1ccccc1S[C@H](C)CC#N 66954016 WAXVFJZSCFEATE-GFCCVEGCSA-N 291.420 3.858 30 20 CHED C=CCCNc1c(F)cc(F)cc1Br 70591544 TZPJUAHGEUDSJL-UHFFFAOYSA-N 262.097 3.715 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C(C)C)no1 70771797 YUGIXEKEGPIVHR-UHFFFAOYSA-N 284.359 3.626 30 20 CHED COc1ccc(O)c(/C=N/CCSc2ccccc2)c1 72712379 BEPVSURHKPWQND-SFQUDFHCSA-N 287.384 3.612 30 20 CHED C=CCOC(=O)c1sc(-c2cccs2)nc1C 73412588 ADHKPOGBNPMSCE-UHFFFAOYSA-N 265.359 3.523 30 20 CHED C[C@H](Sc1ccc(C#N)cn1)c1ccc(F)cc1 74232711 FTCJSCIQIWFGNQ-JTQLQIEISA-N 258.321 3.946 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(C)s1 76827009 LGHPPPIOHZIJOA-UHFFFAOYSA-N 274.320 3.628 30 20 CHED Cc1cccc2c(NCC(C)(C)C[C@@H](C)O)c(C#N)cnc12 78339951 QIXJRJPTLSGNNH-CYBMUJFWSA-N 297.402 3.624 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc2cc[nH]c12 80062131 GQFKYPCIYTZXBN-UHFFFAOYSA-N 297.402 3.960 30 20 CHED CCOc1ccc(NC(=O)N(CC)CCC#N)cc1Cl 80169563 DTZKJSJUEGQFRH-UHFFFAOYSA-N 295.770 3.506 30 20 CHED COc1ccc(CNc2cccc(C#N)c2)cc1Cl 86583590 PTNRNOXZCICBKG-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc2cc[nH]c12 88733314 RCGPZMSJDNUZCD-UHFFFAOYSA-N 275.311 3.600 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccccc1C(F)(F)F 104248896 BVFXRJZIBAZPJK-UHFFFAOYSA-N 285.309 3.673 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)cc1 116933915 SAMBTCMLKKFNGX-MNOVXSKESA-N 266.772 3.665 30 20 CHED CCCC[C@H](CC)CC(=O)N[C@@](C)(C#N)C(C)C 117247469 YDJDGZFXOQULOU-ZFWWWQNUSA-N 252.402 3.647 30 20 CHED CCc1nc(C)c([C@H](C)N(C)CCC(C)(C)C#N)s1 119940792 ZKZQUOCCHBFHRP-LBPRGKRZSA-N 279.453 3.947 30 20 CHED C=CCC[C@@H](NC1CCN(C2CCCC2)CC1)C1CC1 121545726 RXNPXDVTKTVIAO-GOSISDBHSA-N 276.468 3.728 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C)cc1F 121694733 PDXGEXYBZNAAKV-UHFFFAOYSA-N 276.355 3.727 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 122141624 AZTHMDOUNSHYBF-CVEARBPZSA-N 281.440 3.811 30 20 CHED CC[C@@H](C#N)Sc1ccc(C#N)c(C(F)(F)F)c1 127933634 SRSYBHKUFSMNPZ-VIFPVBQESA-N 270.279 3.971 30 20 CHED C=CCOc1ccccc1CNC(=O)C=C(CC)CC 129547967 HYKXRXTUNBLCGP-UHFFFAOYSA-N 273.376 3.614 30 20 CHED CSc1ccc(C(=O)OCc2ccc(C#N)cc2C)o1 131105322 PWQBNFNTVLTDFS-UHFFFAOYSA-N 287.340 3.539 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccc(C#N)cc2)c1 131157986 PPGDWCQXVFJXQB-UHFFFAOYSA-N 268.335 3.638 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cnc2ccccn12 133176945 BINDWLMYOHPKBY-BQYQJAHWSA-N 292.338 3.547 30 20 CHED N#Cc1ccc(CNCc2cccc(Cl)c2F)c(F)c1 133997473 XZNXXCNQZVUOPU-UHFFFAOYSA-N 292.716 3.780 30 20 CHED C[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(C(C)(C)C#N)cc1 135424393 DANVCKYUKOSYFV-BETUJISGSA-N 285.391 3.892 30 20 CHED C=CCCC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 135603800 DGZKYZZVLVMFGV-UHFFFAOYSA-N 284.186 3.844 30 20 CHED O=C(/C=C/c1ccc(F)cc1Cl)c1cc(O)cc(O)c1 152692302 FYSYPDQWCIYXOH-DUXPYHPUSA-N 292.693 3.786 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 154154680 VARLKZIISCITPH-JMJZKYOTSA-N 284.186 3.788 30 20 CHED CS[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 154268079 ZFQPFDVDSZDDKR-MRVPVSSYSA-N 282.434 3.607 30 20 CHED C#CCCCCNC(=O)C[C@@H](CC)c1ccc(C)cc1 155909928 VXIPOIUVPGGYOY-MRXNPFEDSA-N 271.404 3.798 30 20 CHED C=CCC[C@H](CCC)NC[C@@](C)(O)c1cccs1 157032009 ZLQCGKQAXLJSDK-DZGCQCFKSA-N 267.438 3.680 30 20 CHED COc1cc(C)ccc1C/N=C(/N)Nc1ccc(C)c(C)c1 159352523 HKFSGIDZQDRLPY-UHFFFAOYSA-N 297.402 3.547 30 20 CHED N#CCC[C@H](NC(=O)N1CCCCCC1)c1ccccc1 160502775 GGFLTWUCYCTMDI-INIZCTEOSA-N 285.391 3.617 30 20 CHED C=CCN(C)C(=O)c1ccccc1OCc1ccc(F)cc1 161728754 DPWWOJNOLMYCEE-UHFFFAOYSA-N 299.345 3.663 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](C)[C@@H](CN)C1 163709479 FGOOZANNEGWMOG-HOTGVXAUSA-N 282.472 3.570 30 20 CHED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(O)c(F)c1 170851787 ZXUVSJUVXWTYLY-DAFODLJHSA-N 292.693 3.786 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)NCCCCC#N)c1 170886315 NRNHDVGAFKZKDE-MRXNPFEDSA-N 285.391 3.535 30 20 CHED C=CC1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 173314446 CIXYHJUXCGMQRH-CQSZACIVSA-N 293.457 3.503 30 20 CHED CC[C@](C)(NCc1cc(C#N)ccc1F)c1nccs1 173496968 YMHJOJDNYDLLFB-HNNXBMFYSA-N 289.379 3.569 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)c2ccc(F)cc2O1 174875273 ZVWZMFVFFBEWHY-GFCCVEGCSA-N 276.355 3.743 30 20 CHED COCc1cccc(/C=C2\Cc3ccc(OC)cc3C2=O)c1 176937383 ZKJVDHUCKSLRQT-CXUHLZMHSA-N 294.350 3.664 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2ccc(CC)o2)SC1=S 177641297 AWNSIJHZTOYZRQ-GHXNOFRVSA-N 293.413 3.619 30 20 CHED CC(C)(NCc1ccc(F)cc1C#N)c1cccc(F)c1 179579016 GWYLRQONXWWWET-UHFFFAOYSA-N 286.325 3.861 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 180293422 CWAQAGUPYNGOJB-NSHDSACASA-N 266.772 3.619 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(C)cccc1OC(F)F 181694530 IKTGKSNCGSYTAC-UHFFFAOYSA-N 284.306 3.636 30 20 CHED C/C(=C\C(=O)OC(C)(C)C#N)c1ccccc1OC(F)F 181809340 FMZXUECWOGREPJ-CSKARUKUSA-N 295.285 3.537 30 20 CHED CC[C@H](CC#N)NCc1cccc(-c2ccccn2)c1 184085421 NYRRMHRFTOXVAT-MRXNPFEDSA-N 265.360 3.530 30 20 CHED C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NCCCCC#N 184096003 OYUNPMUULOTQQH-YOEHRIQHSA-N 299.418 3.693 30 20 CHED CCOc1ccc(OC)cc1N[C@@H]1CCC[C@H](C#N)C1 185746410 SKAWGIODELKMRJ-QWHCGFSZSA-N 274.364 3.588 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C/c1ccc(F)cc1 187518177 OSPZKPYGKOSUMZ-DHZHZOJOSA-N 288.366 3.770 30 20 CHED CC(=O)c1sccc1OCC#Cc1ccc(F)cc1 188057689 HSLYGVRVAQQCKM-UHFFFAOYSA-N 274.316 3.520 30 20 CHED C=CCC1(C(=O)NC[C@H](c2cccnc2)C(C)C)CCC1 189070486 IBCATNGZOAICCL-INIZCTEOSA-N 286.419 3.684 30 20 CHED C[C@H]1CCN(Cc2cc(C#N)ccc2Br)[C@@H]1C 191804409 VZMULUXKCVVWHE-WDEREUQCSA-N 293.208 3.551 30 20 CHED C#CCCCC(=O)Nc1ccc2c3c(cccc13)CC2 192102088 STPKTLAMZALCMO-UHFFFAOYSA-N 263.340 3.680 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@](C)(C=C)CC 193041285 XJPUKSSXNUGDCO-OAHLLOKOSA-N 263.406 3.865 30 20 CHED Cc1ccc(NCc2cn3ccccc3c2C#N)cc1 193409937 DNGVNCDAHLFIII-UHFFFAOYSA-N 261.328 3.732 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(Cl)s1 194200016 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CCN(CCCn1ccnc1C)[C@@H](C)c1ccc(C#N)cc1 269137071 UIBLXWDCWOQYOT-HNNXBMFYSA-N 296.418 3.536 30 20 CHED CC(C)c1cc(C(=O)N[C@H](CCC#N)c2ccccc2)on1 269629583 UVXIEWDXQOLHJL-CQSZACIVSA-N 297.358 3.573 30 20 CHED C#CCCCSc1nnc(-c2ccc(Cl)s2)o1 270906471 VULGRYPYYILFBE-UHFFFAOYSA-N 284.793 3.957 30 20 CHED C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C#N)c(F)c1 271945679 QAZPELHKWFQBRB-CYBMUJFWSA-N 297.377 3.614 30 20 CHED CC(C)c1ccc(CC2CCN(C(=O)CC#N)CC2)cc1 274755207 IITQVZAILRBLCZ-UHFFFAOYSA-N 284.403 3.505 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 276091955 MTOHQFGTNMGIEX-UHFFFAOYSA-N 285.347 3.745 30 20 CHED CC1(C)CCCN(Cc2ccc3ncccc3c2)[C@@H]1C#N 277801476 PIYFIZDGOPHUHM-QGZVFWFLSA-N 279.387 3.749 30 20 CHED CC[C@@H](NC[C@H]1CCCN(C(C)C)C1)c1ccc(C#N)cc1 278833107 UFUJGPUGRXJIHX-IEBWSBKVSA-N 299.462 3.719 30 20 CHED CC[C@H](NCC[C@H]1CCCCO1)c1ccc(C#N)cc1 278871367 WZLFDIFKZNAQID-SJORKVTESA-N 272.392 3.558 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CC(C)C)c1ccccc1 280497325 BPPJQQDIYLMXSQ-UHFFFAOYSA-N 282.343 3.763 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC/C(C)=C/c1ccccc1 280553070 FBNCFPACZJRZIN-JSGPFIJYSA-N 271.404 3.661 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1ccccc1OC 281323372 KGURXQDRFQZKDM-ZIAGYGMSSA-N 275.392 3.660 30 20 CHED Cc1cc(=O)oc2cc(N(C)CCCC(C)(C)C#N)ccc12 286996142 QTJPYYUGAUJCNJ-UHFFFAOYSA-N 298.386 3.868 30 20 CHED C=CCCO[C@H](C)c1nc(CC2(C)CCCC2)no1 289076990 JBUNZSQDFQIUSR-GFCCVEGCSA-N 264.369 3.846 30 20 CHED C=C(C)CCc1noc(CCc2cccc(OC)c2F)n1 289295374 VNADNLRBEXQRFW-UHFFFAOYSA-N 290.338 3.511 30 20 CHED CC[C@@H]1CN(C(=O)CCCC#N)c2cccc(Cl)c2O1 291471325 CBIQYTQQKPWDIM-LLVKDONJSA-N 292.766 3.538 30 20 CHED C[C@@H](C(=O)Nc1ccccc1SCCC#N)C(C)(F)F 293341289 IVNISLDBFFGSSU-JTQLQIEISA-N 298.358 3.922 30 20 CHED C[C@H](CC(=O)NC1(C#N)CCCCC1)c1ccccc1 299259380 JAPKBHOHNAZBCU-CQSZACIVSA-N 270.376 3.523 30 20 CHED C[C@H]1CN(c2c(Cl)cccc2C#N)C[C@H](C)S1 301486019 ZOUSOVQESXAAFN-UWVGGRQHSA-N 266.797 3.542 30 20 CHED CC(C)C[C@@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 301629558 IEZNGBCLQZQMIR-LBPRGKRZSA-N 277.799 3.869 30 20 CHED CCSc1ccc([C@H](C)Nc2ccc(C#N)nn2)cc1 302001718 QQFGAWZJEUMLRX-NSHDSACASA-N 284.388 3.633 30 20 CHED C=CCN(CC=C)C(=O)CNc1ccccc1C(C)(C)C 302814556 SNHNSFDSNPFHLO-UHFFFAOYSA-N 286.419 3.597 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)c(F)c1 308109164 JFVKGWSSLPWOGN-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1ccc(CNc2nc(C)c(C#N)cc2Cl)nc1C 314333024 UEDNKERYOPKYMZ-UHFFFAOYSA-N 286.766 3.539 30 20 CHED O/C(=N/[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccnnc1 328919835 SQLVNWMVWVBEPP-HZPDHXFCSA-N 281.359 3.508 30 20 CHED Cc1nccc(CC/C(O)=N/[C@@H]2CCC[C@@H](C)CC2)n1 329009124 NZZFWVJCTCTNSS-TZMCWYRMSA-N 275.396 3.643 30 20 CHED O/C(=N/C1CCC(F)(F)CC1)Nc1cc(C2CC2)ccn1 329536838 UPMHNYXNPSQAGI-UHFFFAOYSA-N 295.333 3.863 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(C#N)oc1C 334082592 LGEKSUZBCTYXEL-WFASDCNBSA-N 274.364 3.548 30 20 CHED C[C@@H](C#N)C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 334791363 QFMGFYPPPBVSCV-GOEBONIOSA-N 282.387 3.680 30 20 CHED CC1(C#N)CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 334909438 UNCNKCWPALEXNI-AVAKVYKDSA-N 293.414 3.998 30 20 CHED N#CCC1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 334930385 SWLCNUIUJSEGHW-UHFFFAOYSA-N 297.402 3.723 30 20 CHED Cc1cc(CN[C@@H]2CCOc3ccc(F)cc32)ccc1C#N 335383836 UEFAJYBSHSYGSU-QGZVFWFLSA-N 296.345 3.619 30 20 CHED N#Cc1nc(N2CC[C@H]2c2ccccc2)ccc1Cl 335786866 GXSKHKJSRGAXLV-AWEZNQCLSA-N 269.735 3.558 30 20 CHED N#Cc1cc(NC(=O)[C@H]2CCC(F)(F)C2)ccc1Cl 336088142 YSTSYEGLRVXBRH-QMMMGPOBSA-N 284.693 3.586 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(C)s2)s1 336576249 JZLSCKQXMDVXQL-UHFFFAOYSA-N 276.386 3.804 30 20 CHED N#CCC1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 336588124 FUNZBZJCOMIELB-UHFFFAOYSA-N 293.292 3.707 30 20 CHED C=CCCOCCN[C@H]1C[C@@H](C)Sc2sccc21 336788164 OIONLBSQKNPCCB-YPMHNXCESA-N 283.462 3.856 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CC1CC1 338535035 HPSLJZTTWHVKJL-ZWKOTPCHSA-N 296.414 3.505 30 20 CHED Cc1ccnc(CNc2c(Cl)cccc2C#N)c1 338763393 UDURFBGYWFJLGA-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CCCN(Cc1ccc(F)cc1)c1cccc(C#N)n1 339220466 OJIWFBJKECOYCV-UHFFFAOYSA-N 269.323 3.509 30 20 CHED C=C(C)[C@H](CC(=O)N1C[C@@H](C)c2ccccc21)OCC 339418617 FBQCYPPWCCBKFL-CJNGLKHVSA-N 273.376 3.508 30 20 CHED CC[C@H]1Cc2ccccc2CN1c1nccc(C)c1C#N 341608955 IPVWWUYHCIYOBU-INIZCTEOSA-N 277.371 3.603 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)cc1 341711560 ORARUCCWHRORPV-GJZGRUSLSA-N 285.387 3.514 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC(C)C)c1ccccc1C 341870778 BKPAOPPNNAPTLT-SJLPKXTDSA-N 275.436 3.856 30 20 CHED C=CCCN(C)C(=O)c1ccccc1-c1ccccc1C#N 342001192 HSPCFYXVNVASSZ-UHFFFAOYSA-N 290.366 3.873 30 20 CHED Cc1ccccc1C1CCN(c2cc(C#N)ccn2)CC1 342222846 AVRACJWBLZMMDQ-UHFFFAOYSA-N 277.371 3.646 30 20 CHED N#CCN(C(=O)c1ccc2c(c1)CCC=C2)C1CCCC1 342286355 SSXWOEQSKARMSW-UHFFFAOYSA-N 280.371 3.554 30 20 CHED C=CCCOCCCCC(=O)N1CCCc2ccccc21 342625725 SVYHOSIYPUYWJO-UHFFFAOYSA-N 287.403 3.729 30 20 CHED CC(C)Oc1ccccc1CC(=O)Nc1cccc(C#N)c1 344356774 CFLNMDILXWCYDO-UHFFFAOYSA-N 294.354 3.527 30 20 CHED N#Cc1cnc(N[C@H]2CSc3ccccc32)c(Cl)c1 344615752 DQIPZMNVKXDURS-LBPRGKRZSA-N 287.775 3.866 30 20 CHED CC(C)CCC(=O)N(CC(C)C)c1ccc(C#N)cc1 346463286 JTYIHSLMMXOAMA-UHFFFAOYSA-N 272.392 3.983 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccc(-c2ccccc2)cc1 349369659 URWJVQDSRPWUKK-CQSZACIVSA-N 278.355 3.728 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl 351965145 RBBDOZGDVQTHPQ-CYBMUJFWSA-N 290.794 3.862 30 20 CHED COc1ccccc1[C@H]1CC[C@H](C)CN1CCCC#N 352250294 GAOQRAMZGDCCNR-GOEBONIOSA-N 272.392 3.772 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](CCOC)c1ccc(C)o1 353032127 FASRKXVDVPEBLD-QEJZJMRPSA-N 265.397 3.856 30 20 CHED C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCCCC#N 354842459 WJKFUIFCQRHMGK-CHWSQXEVSA-N 260.356 3.827 30 20 CHED CN(Cc1ccc(C#N)cc1C(F)(F)F)CC1CCC1 356059649 QFGOGENMQYHVDW-UHFFFAOYSA-N 282.309 3.809 30 20 CHED CC[C@H](C)n1ncc(Nc2cc(C#N)ccc2[N+](=O)[O-])c1C 357654560 LAZGYASNUIKCNM-JTQLQIEISA-N 299.334 3.686 30 20 CHED Cc1cc(Cl)cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)c1 357789134 ADJISDDFOQWTHH-CQSZACIVSA-N 299.761 3.545 30 20 CHED COc1cc(Cl)ccc1CSCC1(C#N)CC1 359112216 ADVBMFRJIZWARY-UHFFFAOYSA-N 267.781 3.886 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)o1 361230542 UZMZWEPCDHSDIA-CQSZACIVSA-N 288.734 3.686 30 20 CHED CC(C)(C#N)CC(=O)N(CC1CCCCC1)c1ccccn1 362789886 LAGVLQNTXOUAHL-UHFFFAOYSA-N 299.418 3.935 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 369907604 FEJQIGBAYXLZAS-CRAIPNDOSA-N 299.414 3.798 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc2ccc(OC)cc2c1 410834067 JEADHMZZSMSNGL-INIZCTEOSA-N 296.370 3.613 30 20 CHED C=CCN(CCC1(O)CCC1)Cc1ccc(Cl)s1 411137305 QGBYRDISUMKPLC-UHFFFAOYSA-N 285.840 3.695 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 411738764 UZGKRGWYVGOMCW-APWZRJJASA-N 290.366 3.999 30 20 CHED N#C[C@@H]1CC[C@H](N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 412018075 ZIIBRBMTQPFIEC-NJAFHUGGSA-N 296.414 3.532 30 20 CHED C=CCc1ccccc1OCc1ccn(CC(F)(F)F)n1 418817799 HVYMUVQAMPHGAU-UHFFFAOYSA-N 296.292 3.753 30 20 CHED Cc1cc(CSC[C@@H]2C[C@H]3CC[C@H]2O3)ccc1C#N 419566160 OWBDDBTWBWLJRU-ARFHVFGLSA-N 273.401 3.667 30 20 CHED CC(C)(C)c1ccc(CCCCC(=O)NCCC#N)cc1 427640586 BGBWOKFRCDPIAC-UHFFFAOYSA-N 286.419 3.727 30 20 CHED Cc1cc(Cl)cc(C)c1CNCC1(CC#N)CC1 430041240 URHWDLOCGCBBDF-UHFFFAOYSA-N 262.784 3.740 30 20 CHED CC[C@H](CC(=O)NCC1(CC#N)CC1)c1ccc(C)cc1 431133085 REMSWSRVFQGYSH-OAHLLOKOSA-N 284.403 3.689 30 20 CHED Cc1ccc(F)cc1NC(=O)[C@H](C#N)CCc1ccccc1 433118608 XSVFBKPOUXAORJ-HNNXBMFYSA-N 296.345 3.845 30 20 CHED CN(CCCSCc1ccccc1)CC(C)(C)C#N 433282491 BEDAMDODFZEEPZ-UHFFFAOYSA-N 276.449 3.791 30 20 CHED CC1(C)CCCN(C(=O)[C@H]2CCCc3ccccc32)[C@H]1C#N 434028867 YPDFSIQSRQAASF-IRXDYDNUSA-N 296.414 3.647 30 20 CHED CC[C@@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)C(C)C 434030770 JWRAGYLBMSWXMU-KBPBESRZSA-N 264.413 3.599 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] 435583588 JZXOKNALNBBVIF-QMTHXVAHSA-N 296.754 3.641 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCC1(CCOC)CCCCC1 435743012 XWEVNSBVHKSOHQ-DLBZAZTESA-N 295.467 3.544 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)C1CCC(F)(F)CC1 436303914 CQRIBUSIKHZBJT-QEJZJMRPSA-N 287.394 3.771 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccc(C)cc1O 436685139 AISJOAIIPXXHLR-UHFFFAOYSA-N 299.345 3.668 30 20 CHED CCN(CCC#N)[C@H]1CC[C@](C)(c2ccccc2)C1 437586166 XRKPIYXFYBHGDX-IRXDYDNUSA-N 256.393 3.732 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)c1cccc(OC)c1 438796796 XJSSDGRSKUKQNT-UHFFFAOYSA-N 296.370 3.602 30 20 CHED C[C@H](CSCc1cccc(C#N)c1)C(F)(F)F 439024308 ZXKOQQNGJNCXSA-SECBINFHSA-N 259.296 3.990 30 20 CHED COc1cc(CN2CCCC3(CCCC3)C2)ccc1C#N 443068496 NESDDDPIZHXGKD-UHFFFAOYSA-N 284.403 3.723 30 20 CHED C=CCCCCCN(C)Cc1nc(C)sc1C 443617011 URALHUUMRQWQSU-UHFFFAOYSA-N 252.427 3.938 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 444666294 AAIYZBCFCIAJKI-CYBMUJFWSA-N 289.379 3.965 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)C1CCC(CC)CC1 445551746 HENJBPGSYYVHHS-VMBOVVBDSA-N 281.440 3.642 30 20 CHED CCCOc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1Cl 448747246 JFVXSWXCULTQTP-ZUZCIYMTSA-N 292.766 3.617 30 20 CHED C=CCC1(C(=O)Nc2ccc(-n3ccnc3)cc2)CCCC1 449258591 QEVQTKLDIJDHST-UHFFFAOYSA-N 295.386 3.947 30 20 CHED C=CC[C@@H]1N(C[C@H]2C[C@H]3CC[C@H]2O3)CCCC1(C)C 450863130 GLCXLLHEQJPNLE-FPCVCCKLSA-N 263.425 3.621 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccncc2F)CCCC1 451520222 VUQQJEPWQHIXRY-GFCCVEGCSA-N 276.355 3.534 30 20 CHED N#CCCCN1CCC(Cc2cccc(F)c2F)CC1 451963532 ZLZAGPBJJWXJMG-UHFFFAOYSA-N 278.346 3.523 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)C(C)(F)F)c1ccccc1 452455386 JYOUGKGUPAPAJZ-NEPJUHHUSA-N 267.319 3.506 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(C)c(Cl)c1F 452772326 DVBWVTMGWHZBFK-UHFFFAOYSA-N 269.747 3.730 30 20 CHED C=CCC[C@H](NCCC[C@H]1CCOC1)c1ccco1 453343326 DKBYQUWKRFCJSL-GJZGRUSLSA-N 263.381 3.693 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@@H]1c1ccsc1 455369763 PPSIGGWXROUJAM-CYBMUJFWSA-N 278.421 3.807 30 20 CHED N#CCc1ccc(NC(=O)NC2CCCCC2)c(Cl)c1 455759208 WMADPLOBGZKJEN-UHFFFAOYSA-N 291.782 3.860 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 456048202 ZLBGJIKJWXWJMK-QLFBSQMISA-N 277.795 3.914 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CC#N)c1 456761165 XRHVNOBKHNHALO-HUUCEWRRSA-N 296.395 3.865 30 20 CHED C[C@H](C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CCC1 457597975 AZKDSAUOSSVCAD-QGTPRVQTSA-N 296.414 3.721 30 20 CHED C[C@]1(NC(=O)N[C@H](CCC#N)c2ccccc2)CC=CCC1 458583329 TXGLNMDTVSXKJZ-AEFFLSMTSA-N 297.402 3.829 30 20 CHED C=CCC1(NC(=O)NC[C@H](C)C(F)(F)F)CCCCC1 458658930 OMSRYDMVZRUCEI-NSHDSACASA-N 292.345 3.763 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1 461792139 RZJHMTDJIBSWCN-NSHDSACASA-N 293.301 3.899 30 20 CHED CC#CCCSCc1cccc(OC(F)F)c1 462372457 JTRVRWZVHJZTEJ-UHFFFAOYSA-N 256.317 3.935 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccc(CC)cc1 466324987 ISDSBMSYFLNTMT-MRXNPFEDSA-N 274.408 3.745 30 20 CHED CCC(CC)[C@H](C)C(=O)N(CCC#N)C(C)(C)CC 471169604 PWTFSUPFVYXVBR-ZDUSSCGKSA-N 266.429 3.990 30 20 CHED C=CCCCCNC(=O)NC[C@H](C)Sc1ccccc1 472760938 BNPQHZKIAZUDHL-AWEZNQCLSA-N 292.448 3.823 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 478480379 KDQGFPHXLFCLOV-CQSZACIVSA-N 276.424 3.745 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)c1cccc(F)c1 481306659 HMQZGIUOULAMQB-UHFFFAOYSA-N 263.356 3.528 30 20 CHED CCN(CC1(OC)CCCC1)[C@@H](C)c1ccc(C#N)cc1 483170727 UAAYJSZMSGJXHA-HNNXBMFYSA-N 286.419 3.900 30 20 CHED C=CCCC1(C(=O)N(CC=C)CCc2ccccc2)CC1 483417346 FBISUOYJYGPXKF-UHFFFAOYSA-N 283.415 3.990 30 20 CHED C=CCN(C(=O)Cc1cc(C)ccc1OC)c1ccccc1 484228387 CKXZGQCPULCRLX-UHFFFAOYSA-N 295.382 3.765 30 20 CHED C=CCCCCCSCCC(=O)NC1CCCC1 485586755 UTVQRUQCXPRYCK-UHFFFAOYSA-N 269.454 3.915 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(C)c1F 488550707 QRJUZJNDGBFCOX-GFCCVEGCSA-N 262.328 3.707 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 490060377 PUWSZRMMVBBEOR-FXAWDEMLSA-N 297.442 3.999 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1cc2ccccc2s1 491743591 XSXAEFANSIRFOR-RYUDHWBXSA-N 286.400 3.625 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)C(C)(C)C 494899479 BJVMIOZPFLMZHS-OLZOCXBDSA-N 252.402 3.561 30 20 CHED C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@H]12 499625360 KXLHLPIZDDGEKX-BRWVUGGUSA-N 290.451 3.597 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2c(C)cc(C)cc2C1 501388367 BDULZBKASJCFDL-UHFFFAOYSA-N 271.404 3.790 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 504655631 SGGGTWCWCPRASX-LMLQULGWSA-N 295.386 3.504 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)[C@@H]1CCCC[C@@H]1C 509510820 YIKBOPQHUNRICQ-SUMWQHHRSA-N 284.403 3.908 30 20 CHED C=CCCC[C@H](C)NC1CCN(CCC(F)(F)F)CC1 513485343 QVPNGKBIQYGKPT-ZDUSSCGKSA-N 292.389 3.738 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc2ccccc2c1 514243806 YFHOSDDYMGZBAY-QGZVFWFLSA-N 282.387 3.994 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1sccc1C#N 518553765 MLNNVAPLMGNKGJ-DGCLKSJQSA-N 290.432 3.907 30 20 CHED N#Cc1ccc(/C=C/c2nc(Cc3cccs3)no2)cc1 518859524 MIYRYGKESQCWFH-BQYQJAHWSA-N 293.351 3.764 30 20 CHED C/C=C\c1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 521016809 YXLOTGHYMAYGNC-IHWYPQMZSA-N 280.302 3.983 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 521828002 JCROFPMWVDYFEI-YRGRVCCFSA-N 286.375 3.578 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 522983947 UTWXHJZXWWYKPA-JTQLQIEISA-N 292.766 3.760 30 20 CHED C[C@@H](C#N)CN(C)CC1CCC(C(C)(C)C)CC1 525119584 QRBNRXADKKLKRF-NFOMZHRRSA-N 250.430 3.930 30 20 CHED CC(C)N(CC1CC1)C(=O)C[C@H](CC#N)c1ccccc1 526981707 QVHDLGLJVWDGIK-KRWDZBQOSA-N 284.403 3.721 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1cccc(N(C)C)c1 527461122 OZZOKQBPESJDOQ-OAHLLOKOSA-N 288.435 3.546 30 20 CHED C=CCOc1ccc(-c2nc([C@H]3CC[C@H](C)O3)no2)cc1 528248426 HPQBHKQOJWVRQZ-SMDDNHRTSA-N 286.331 3.541 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)cc1 537594114 SSKPCQADDLEYLK-SCLBCKFNSA-N 290.366 3.612 30 20 CHED C=CCN(C(=O)[C@H](CCC)c1ccccc1)C1CC1 538273775 HYWJXZPSBCJXRW-MRXNPFEDSA-N 257.377 3.747 30 20 CHED C[C@@H]1CCN(C)c2ccccc2N1CCC(C)(C)C#N 538466033 AYFCRTGKLSQXLH-CQSZACIVSA-N 271.408 3.661 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCCCc1cccs1 539863081 AZUQEAWCPAICJY-UHFFFAOYSA-N 287.344 3.573 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H]1C[C@H](OCC)C1(C)C 540564947 UCMSQRFFBGUUBS-KKUMJFAQSA-N 296.455 3.576 30 20 CHED CCC[C@@H](CC)NCCSCc1ccccc1C#N 540593704 JQUKJAYPIMBVDU-MRXNPFEDSA-N 276.449 3.960 30 20 CHED N#Cc1ccc(OCCNc2c(F)cccc2Cl)cc1 543413858 AWHXRFFULPNIOG-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CC#CCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 543981492 ZLASMHSWWMUBOV-QGZVFWFLSA-N 284.790 3.632 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(Cl)c(C#N)c1 544418085 KOFAYMMEQXOAOS-UHFFFAOYSA-N 295.729 3.644 30 20 CHED CC(C)SCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 545305000 AJIUPTSUZCIWOY-UHFFFAOYSA-N 296.480 3.743 30 20 CHED CC1(C)CC(CC(=O)N[C@H](C#N)c2ccccc2Cl)C1 551116061 OLBWBYTVAYNLAF-CQSZACIVSA-N 290.794 3.847 30 20 CHED C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CC(C)(C)C1 553383009 ZUGWIUKPTBYGFF-NWDGAFQWSA-N 262.422 3.924 30 20 CHED Cc1nsc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c1C#N 557502591 UZLXSQRMGIBDLJ-GZMMTYOYSA-N 273.361 3.652 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(CCC)CC1CC1 562025193 VDWMCRAMEJIAER-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(=Cc3cccc(F)c3)CC2)C1 563350599 PGJFYEJEFYINHR-WMZOPIPTSA-N 284.378 3.997 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)Cc1ccccc1 563665183 NJKMFGQGTNMTGO-SJORKVTESA-N 271.404 3.822 30 20 CHED C[C@H](F)CCOc1c(Br)cccc1CC#N 564396665 DWFBEYWVHALYBO-VIFPVBQESA-N 286.144 3.642 30 20 CHED Cc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(C#N)cc1)C2 564428568 XXUNDNKZWJEFDM-KBXCAEBGSA-N 292.382 3.521 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H]1CCC12CCOCC2 569318353 DZOFYVZMNISVPU-ROUUACIJSA-N 285.431 3.723 30 20 CHED Cc1cc(CNCc2ccc([C@H]3C[C@H]3C)o2)ccc1C#N 569777936 VFERSQPMAXDQAL-DYVFJYSZSA-N 280.371 3.873 30 20 CHED N#CC1(c2nc(-c3cc4cc(Cl)ccc4[nH]3)no2)CCC1 572813191 ZCSWGNKYHZIVDS-UHFFFAOYSA-N 298.733 3.817 30 20 CHED C=CCNc1ccccc1C(=O)Nc1ccc(F)cc1 574264617 YPEISAXCCILHRR-UHFFFAOYSA-N 270.307 3.676 30 20 CHED COc1ccc([C@@H](CCC#N)NCc2cncc(C)c2)cc1 581051582 PNIJSEDOAQOYLF-GOSISDBHSA-N 295.386 3.533 30 20 CHED C=CCC1(C(=O)N2CCC=C(c3ccccn3)C2)CCCC1 581671219 LIFDTRNMGADQLE-UHFFFAOYSA-N 296.414 3.834 30 20 CHED C=C(CC)CNC(=O)N1CCC(c2ccccc2F)CC1 583067817 HKSRYXCRJHIQTJ-UHFFFAOYSA-N 290.382 3.681 30 20 CHED CSc1ccccc1C(=O)/C=C\c1cccnc1 588617952 HAYBZZWOVCAVAV-HJWRWDBZSA-N 255.342 3.700 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2c(F)cccc2Cl)C1 592244060 DLUZONNQKHFARS-AWEZNQCLSA-N 295.745 3.637 30 20 CHED N#CCN(C(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(Cl)cc1 592649330 CYMVPIWBVZGNHH-ZIAGYGMSSA-N 288.778 3.633 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C(C)(C)Cc1ccc(Cl)cc1 594085775 ZVBDFJUMIQFLQL-AWEZNQCLSA-N 292.810 3.669 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 594090269 SWEURKKFQMBCBQ-KZNAEPCWSA-N 292.382 3.704 30 20 CHED CC1(C)CCC(c2noc(CCCCC#N)n2)CC1 594531729 VMLOYZXRWYSJMF-UHFFFAOYSA-N 261.369 3.990 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@@H](OC2CCC2)C1 594594074 KMSHVKODTRUNPS-CQSZACIVSA-N 290.794 3.750 30 20 CHED N#Cc1c(Cl)cccc1N1CCC[C@@H](OC2CCC2)C1 594595360 WFEOYTCENGHNEO-CYBMUJFWSA-N 290.794 3.750 30 20 CHED N#Cc1ccc(CCN[C@H]2CCC[C@@H](C3CC3)C2)cc1 595056245 SKXMGJZTPHYOJB-MSOLQXFVSA-N 268.404 3.659 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCCC1CCC1)CC2 595078852 GLCAVDWROBAYSX-KRWDZBQOSA-N 254.377 3.715 30 20 CHED N#CCCN(CC[C@H]1CCc2ccccc21)CC1CC1 595334693 SZIDSEXSWMGGCD-QGZVFWFLSA-N 268.404 3.732 30 20 CHED N#CCc1ccc(CN2CC[C@H]2c2ccc(F)cc2)cc1 595704873 RIVJSWVPEYQRTL-SFHVURJKSA-N 280.346 3.839 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(SC)ccc1Cl 597926133 WEBUHEYYTURCSC-QMMMGPOBSA-N 268.769 3.550 30 20 CHED CCN(C(=O)[C@H](C)Sc1ccc(Cl)cc1)[C@@H](C)C#N 598354805 UFYFVLZZSYKCIN-QWRGUYRKSA-N 296.823 3.581 30 20 CHED N#Cc1cnc2ccccc2c1N1CCCC(F)(F)CC1 599134577 XIUNHRMVBCARFR-UHFFFAOYSA-N 287.313 3.732 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc(-c2ccccc2)oc1C 599760750 RNYNEGAPOMGWOR-CQSZACIVSA-N 282.343 3.677 30 20 CHED CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)CC#N 600220299 WQLVUWFAKOCDKQ-UHFFFAOYSA-N 298.308 3.604 30 20 CHED N#Cc1cccc(S[C@H]2CCO[C@@H](c3cccnc3)C2)c1 600529362 MPVMYHUWOYWZFB-DLBZAZTESA-N 296.395 3.966 30 20 CHED Cc1cc(C)c(C(=O)N(C)Cc2ccc(C#N)cc2)s1 600991315 SKVYMAGJRYPLOL-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 606697543 LDSDWABSCOAILJ-ZWKOTPCHSA-N 298.430 3.781 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(C#N)cc1 609117120 VOCLANMASSFWJS-SJORKVTESA-N 284.403 3.576 30 20 CHED CCCN(C(=O)c1ccoc1)c1cc(Cl)ccc1C#N 609286413 GHLFNQBIKBLSAF-UHFFFAOYSA-N 288.734 3.861 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C#N)c1 609692964 KTMDPWFJWFQESM-AWEZNQCLSA-N 278.355 3.999 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(Cl)c(C#N)n1 610280388 ODVRTBGPVWFOBN-GDBMZVCRSA-N 283.762 3.749 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)c1ncc(C#N)cc1Cl 610431892 UMLRSAIUSRCZOW-JTQLQIEISA-N 287.750 3.510 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CC12CCCC2 610471655 QRHWGMSQPYORDM-ZDUSSCGKSA-N 285.391 3.634 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(O)cc1Cl 616943295 VUDFPBHIBJZGSZ-UHFFFAOYSA-N 253.729 3.586 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)C1 617782590 IOFLWMYOIHVNKJ-SNVBAGLBSA-N 283.293 3.532 30 20 CHED CC[C@@H](NCc1cc(C(C)C)no1)c1ccc(C#N)cc1 618567976 BOBSJAMMDGVNFO-MRXNPFEDSA-N 283.375 3.911 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 618807255 WSSVNVIHISPYSC-YJYMSZOUSA-N 287.366 3.768 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cc2ccccc2[nH]1 618967265 YJKPSNLZKDDJHA-LJQANCHMSA-N 287.366 3.817 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 619215741 NGHJUXKHJXWEBN-BFYDXBDKSA-N 257.377 3.651 30 20 CHED CC1=CCCN(c2c(C#N)cnc3c(F)ccc(F)c23)C1 619549412 VABNAWKKQWAQPW-UHFFFAOYSA-N 285.297 3.541 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(F)cc1F 622874470 USZANKPIWCKBOH-NSHDSACASA-N 297.370 3.646 30 20 CHED C=CCN(C(=O)c1ccc(SC)cc1)C(C)(C)C 622942889 DGVPJJKEKCBBFQ-UHFFFAOYSA-N 263.406 3.835 30 20 CHED C=CCCC(C)(C)NCc1cn2cc(Cl)ccc2n1 657805555 QVTYPTRXMIGTCH-UHFFFAOYSA-N 277.799 3.822 30 20 CHED C=CCN(CC(=O)Nc1c(C)cc(C)cc1C)C(C)(C)C 661756580 RCRRZNIUNIRIRE-UHFFFAOYSA-N 288.435 3.837 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1nc(C2CC2)cs1 664462331 WYZZIYZSMIZEBA-UHFFFAOYSA-N 293.436 3.565 30 20 CHED C=CC[C@@H](C)NC(=O)C1(C(F)(F)F)CCCCC1 668855276 YISFTEMSJQNVJJ-SNVBAGLBSA-N 263.303 3.580 30 20 CHED C=CCn1c(SCc2cc(C)n(C)n2)nc2ccccc21 676026904 OQGCCDSLMHIKGO-UHFFFAOYSA-N 298.415 3.557 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@@H]1CCCOC1 678349959 QVFFQPSTDLVQIQ-LLVKDONJSA-N 271.813 3.569 30 20 CHED C=CCN(CCc1ccco1)C(=O)NC(C(C)C)C(C)C 679380388 PEYFKWPMQQXMTO-UHFFFAOYSA-N 292.423 3.700 30 20 CHED C#C[C@H](NC(=O)/C=C/c1ccc(Cl)s1)C(C)(C)C 702239347 KTYBAIMKAUIBMV-DJYGCBNOSA-N 281.808 3.579 30 20 CHED Cc1cc(C#N)cc(NCc2ccc(Cl)cn2)c1 703852003 QSUPKAITFKNFBT-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1cc(C)cc(CNCc2cc(C#N)ccc2F)c1 710366054 DNYYWSBKVVXOOG-UHFFFAOYSA-N 268.335 3.604 30 20 CHED CCO[C@H]1CCC[C@H](Nc2cc(C)cc(C#N)c2)C1 721170572 WYHIXUISHHFJIU-HOCLYGCPSA-N 258.365 3.626 30 20 CHED CCCCCCCCC(=O)OCc1nc2cccnc2[nH]1 726386359 RIYUUEVPDNZYEB-UHFFFAOYSA-N 289.379 3.752 30 20 CHED C(=NNC1CCCC1)c1ccccc1OCc1cccnc1 727651728 NSSJYXPJEPZGBM-UHFFFAOYSA-N 295.386 3.527 30 20 CHED COc1cccc(NN=Cc2ccc3c(c2)CC(C)(C)O3)c1 729144328 YFEYBGDGOUORGQ-UHFFFAOYSA-N 296.370 3.855 30 20 CHED Cc1ccc2c(c1)C(=NNc1nc3ccccc3n1C)CC2 730947738 GCMPTTNCOMBLQF-UHFFFAOYSA-N 290.370 3.644 30 20 CHED C=CCOC(=O)C1(c2ccc(OCC(C)C)cc2)CCC1 731740384 REILUMOTSXUYJD-UHFFFAOYSA-N 288.387 3.872 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccccc2[N+](=O)[O-])o1 732761775 KNJLSKVUSTYMDZ-JQWIXIFHSA-N 285.303 3.757 30 20 CHED C=CCNc1nnc(SCc2ncc(C(C)C)o2)s1 733206641 DEEFMJSITGMMKR-UHFFFAOYSA-N 296.421 3.540 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 733708318 SWHHIASWPIJIDG-NEPJUHHUSA-N 296.370 3.752 30 20 CHED C=CCCCOC(=O)c1c(Cl)c2ccccc2n1C 735529481 BVHICWLYFLDTJE-UHFFFAOYSA-N 277.751 3.955 30 20 CHED CCc1ccc(CC/N=C/c2cccc(OC)c2O)cc1 735978532 HPFOHWSUJIRMFH-CPNJWEJPSA-N 283.371 3.625 30 20 CHED C=C(Cl)CNC(=O)N(Cc1ccccc1F)CC(C)C 736398877 HXAQWYZEMWIHTE-UHFFFAOYSA-N 298.789 3.746 30 20 CHED CCO[C@@H]1CC(=NNc2cc(F)c(F)cc2F)C1(C)C 736431169 WYOVBNHUKXRAKR-CYBMUJFWSA-N 286.297 3.707 30 20 CHED COc1cccc(C=NOCc2c(C)cccc2C)c1OC 738289827 TZAQFXNPTFJLOB-UHFFFAOYSA-N 299.370 3.871 30 20 CHED C=CC[C@H](NC(=O)CCSCCCC)c1ccncc1 739731830 CLUZVXCYJIJGSG-HNNXBMFYSA-N 292.448 3.738 30 20 CHED CC(C)(C)CCCNC(=O)/C=C\c1ccccc1C#N 739779788 BLXVZPONIFWNPR-KTKRTIGZSA-N 270.376 3.514 30 20 CHED CCCCCCCCN(C)Cc1ccc(C(=O)NC)cc1 740873568 LPFOPGFBIZHXLP-UHFFFAOYSA-N 290.451 3.839 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)[C@@H]1CCOC1 741755892 LFDVNYGMANRYJI-SECBINFHSA-N 273.163 3.818 30 20 CHED CCC(=NNc1ccc(Cl)cc1)[C@@H]1CCOC1 741838491 MJWHYYLXYMQELG-SNVBAGLBSA-N 252.745 3.554 30 20 CHED CCCCCC[C@@H](C)C(=O)NCC#Cc1ccccc1 741892953 OOGDIOKBEIYBRT-MRXNPFEDSA-N 271.404 3.761 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)C[C@@H](C)CC)c1 743004724 JNIDBJOOJVXYLJ-STQMWFEESA-N 274.433 3.779 30 20 CHED C#Cc1cccc(NC(=S)N2CCC3(CCCC3)C2)c1 743024041 JUJXMHPANPAVCQ-UHFFFAOYSA-N 284.428 3.631 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)CCc1cccc(F)c1 744303356 WSVQFEIJBIVQOU-ZDUSSCGKSA-N 264.340 3.904 30 20 CHED C=C(C)COC(=O)c1c[nH]cc1-c1ccc(F)cc1 745271335 WPEHHSJVJOZNSM-UHFFFAOYSA-N 259.280 3.554 30 20 CHED Cc1ccccc1C1CC(=NOCc2cccnc2)C1 746586238 UFCQZXIPBZDXHK-UHFFFAOYSA-N 266.344 3.840 30 20 CHED CCO[C@@H](CC/N=C\c1cccc(O)c1O)C1CCCC1 746817109 WARMCCGGCODSBI-JIHKLPAASA-N 291.391 3.502 30 20 CHED O=C(C#Cc1ccccc1)N[C@H](c1ccccc1)C1CCC1 747379931 HSNKRBUDDJGTEW-HXUWFJFHSA-N 289.378 3.696 30 20 CHED C[C@H]1CC(=NNc2nncc3ccccc23)C[C@H](C)C1 747742927 CAAJPBIUPFOKBA-VXGBXAGGSA-N 268.364 3.854 30 20 CHED Cc1ccc(F)c(C(=O)OCc2ccc(C#N)cc2C)c1 748933979 GFJDLBZXCQEFSL-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CC[C@@H](Oc1ccccc1Cl)C(=O)OCCCCC#N 749037899 YLSGSIGULPRFLQ-CYBMUJFWSA-N 295.766 3.734 30 20 CHED C=C(Br)CN1C[C@H](C)[C@@H]1c1ccccc1 749115882 UOUSVWQZZBWLNR-GXFFZTMASA-N 266.182 3.588 30 20 CHED C[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)C1CCCC1 750697232 NAPUNMRMCYEAPL-QWHCGFSZSA-N 271.360 3.989 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1cnnc2ccccc12 751133468 OYZWOCCGRYEFFL-GFCCVEGCSA-N 288.354 3.638 30 20 CHED CC1(C)CCC[C@H](C=NNc2ccc([N+](=O)[O-])cn2)C1 752728207 WZBZMMPJYQGRHL-NSHDSACASA-N 276.340 3.604 30 20 CHED C=CCOCCCC(=O)OCc1cc2ccccc2s1 754829203 LMUWYKWPCMYPOD-UHFFFAOYSA-N 290.384 3.927 30 20 CHED Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c(O)c1 756627243 SOOGWXFIPOHAQJ-KBPBESRZSA-N 280.371 3.984 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)C1CCCC1)c1ccccc1 757575270 BKQRODLWAMGGON-WMLDXEAASA-N 269.388 3.694 30 20 CHED C#CC[C@H](NC(=O)c1ccc(Cl)nc1C)c1ccccc1 757619204 ZFXJOTYKWKJQDU-HNNXBMFYSA-N 298.773 3.538 30 20 CHED C#CC[C@H](NC(=O)N(C)C1CCCCC1)c1ccccc1 757757667 UGRRGZIGVXGTCT-KRWDZBQOSA-N 284.403 3.725 30 20 CHED COC[C@@H](C)NN=C1CCC[C@H]1c1ccccc1Cl 758126183 HPUNSWIYRRBTOW-YPMHNXCESA-N 280.799 3.588 30 20 CHED N#CCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 758145598 ZZWXCAGYRCIUSY-UHFFFAOYSA-N 271.703 3.625 30 20 CHED C=CCCCc1nc(-c2ccc(-c3cc[nH]n3)cc2)no1 761615503 OVNWDOMGFBQLHC-UHFFFAOYSA-N 280.331 3.635 30 20 CHED C#CCCOC(=O)c1cc2ccccc2cc1OC(F)F 762043332 QHTISUMBMNTCPQ-UHFFFAOYSA-N 290.265 3.621 30 20 CHED CCCCCCCCCCN1CC[S@@](=O)C[C@H](C)C1 763874771 FFDJYCQSEOODBI-VQIMIIECSA-N 287.513 3.828 30 20 CHED CC(C)C[C@@H](NCc1ccc(C#N)cc1)c1ccccn1 765010357 IYSCUEZBAPNXTJ-GOSISDBHSA-N 279.387 3.830 30 20 CHED C=C(CN[C@H](C)c1ccc2c(c1)CCO2)c1ccccc1 765417539 VTBRPKUPHQDVFZ-OAHLLOKOSA-N 279.383 3.986 30 20 CHED CC(CCCCO)=NNc1ccc(C#N)c(C(F)(F)F)c1 766699143 RUCQOMXCJLUASN-UHFFFAOYSA-N 299.296 3.527 30 20 CHED Cc1cccc(NN=Cc2cncc(Br)c2)c1 767361358 XKVMJQKYIFNVMB-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C#C[C@H](OC(=O)[C@H]1C[C@H]1c1cccc2ccccc12)C1CC1 767521630 OOCXYKGITPZOQS-FHWLQOOXSA-N 290.362 3.898 30 20 CHED COc1cc(C(=O)O)ccc1NN=C[C@H]1CCC[C@@H](C)C1 768367347 PEUCGDYWYLGDQM-NEPJUHHUSA-N 290.363 3.617 30 20 CHED Cc1cccc(C(=O)OCCCCC(C)(C)C#N)c1O 768535726 IEJUVEQYDRDDMG-UHFFFAOYSA-N 275.348 3.578 30 20 CHED Cc1c(C#N)cccc1NC(=S)Nc1ccccc1F 769795626 OWCWXSVMWHIPOH-UHFFFAOYSA-N 285.347 3.815 30 20 CHED CC(C)(C=NNc1ccnc(Br)c1)CCC#N 769811790 AJDKNVGBZJSOHB-UHFFFAOYSA-N 295.184 3.572 30 20 CHED CCC(Cc1ccccc1)=NNCc1ccc(C#N)cc1 769820361 DGBALPGKUBZWMN-UHFFFAOYSA-N 277.371 3.657 30 20 CHED Cc1ccc(COC(=O)c2cccc(C#N)c2)c(C)c1 770119789 YPFJMAAORWANCE-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CON=Cc1ccc(C(=O)OCc2cc(C)ccc2C)cc1 770284654 XGBFAJHBDCIDAU-UHFFFAOYSA-N 297.354 3.641 30 20 CHED N#Cc1cc(/C=C2\Cc3ccc(F)cc3C2=O)ccc1F 770572120 LWLIFTQZTIPVOR-LFYBBSHMSA-N 281.261 3.659 30 20 CHED CCCCCCCC(=O)O[C@H](C)c1ncc(C)o1 770958417 YLQSDSIFCCZTJC-GFCCVEGCSA-N 253.342 3.948 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)s1 774122049 XBJCGLGLYKYCRT-SREVYHEPSA-N 272.325 3.651 30 20 CHED C#CC[C@@H](NCc1ncc(C(C)C)o1)c1ccccc1 775398058 DWELTEZWKNMYFP-OAHLLOKOSA-N 268.360 3.652 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)cc1)c1cscn1 776191120 BRJYGZTYBMKKJH-ZZXKWVIFSA-N 281.283 3.641 30 20 CHED Clc1ccnc(NN=Cc2ccc(Cl)s2)c1 777906778 GESTVUMWTBCABQ-UHFFFAOYSA-N 272.160 3.896 30 20 CHED Cc1ccoc1CNc1ccc(OC(C)C)c(C#N)c1 779603633 IJEYVTZGTLBAKG-UHFFFAOYSA-N 270.332 3.859 30 20 CHED CC(=NNc1ccnc(F)c1)c1cc2c(s1)CCCC2 781132378 KPMMMNLWRSURHC-UHFFFAOYSA-N 289.379 3.997 30 20 CHED CC(C)(C)CCCOC(=O)c1cc(C#N)cs1 781192369 LNLYFSXMGZEQKN-UHFFFAOYSA-N 251.351 3.603 30 20 CHED C[C@H](OC(=O)c1cccc(N(C)C)c1)c1cccc(C#N)c1 782022922 ZCICGFQCDRNLCV-ZDUSSCGKSA-N 294.354 3.542 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1cc(C)ccc1C 785761036 GSQLKHPKLKJSML-QGZVFWFLSA-N 274.360 3.632 30 20 CHED C=CCCCCCOC(=O)/C=C/c1cncc(F)c1 785854636 YHCMNLDTYSEMEB-BQYQJAHWSA-N 263.312 3.524 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CC[C@](F)(C#N)C1 786113719 FSLRMWFDQSDDGP-HOCLYGCPSA-N 297.418 3.630 30 20 CHED O=C(/C=C\c1ccc(Cl)c(F)c1)c1cncs1 787172389 LOYVPDCXXBDGIG-RQOWECAXSA-N 267.712 3.832 30 20 CHED C=C[C@H]1CCCCN1Cc1occc1Br 787311087 RJQMGPDRYQVHOE-JTQLQIEISA-N 270.170 3.583 30 20 CHED C#CC(C)(C)N(C)Cc1cccc(C(F)(F)F)c1 787997182 HKYORAIUATZUAN-UHFFFAOYSA-N 255.283 3.549 30 20 CHED C#CCC1(C(=O)N(C)[C@@H](CC)CSC)CCCCC1 788459539 AYNCLKHVSXINHT-AWEZNQCLSA-N 281.465 3.560 30 20 CHED COc1cc(NN=C(C)c2csc(C)n2)ccc1Cl 788467291 IUEDKQPXDDEMFE-UHFFFAOYSA-N 295.795 3.950 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C1CCC12CCCC2 788712894 MQYGHVVBWVRTBU-UHFFFAOYSA-N 289.335 3.726 30 20 CHED Clc1cccc(C2CC(=NNCCc3ccncc3)C2)c1 789094029 OJAWCDCRRBNPSH-UHFFFAOYSA-N 299.805 3.801 30 20 CHED C#Cc1cccc(N(C(=O)C[C@@H](C)CC)C(C)C)c1 790635159 SWXRFPWLRNVERD-AWEZNQCLSA-N 257.377 3.846 30 20 CHED C=CCC1(C(=O)OCc2cnc(Cl)s2)CCC1 791560821 OZHUQKQWPBURJN-UHFFFAOYSA-N 271.769 3.586 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc[nH]1 792149521 NBUPVMPLSBOGPP-OAHLLOKOSA-N 297.402 3.864 30 20 CHED CCC(=NNc1ncncc1F)c1cccc2ccccc12 793212321 XWLKMQVMHDVKAQ-UHFFFAOYSA-N 294.333 3.995 30 20 CHED CC(=NNc1ncncc1F)C(C)(C)c1ccc(F)cc1 793225272 JRTBOMZVQYZTAE-UHFFFAOYSA-N 290.317 3.520 30 20 CHED C[C@@H]1CSC[C@H]1/N=C/c1c(O)ccc2ccccc12 794675499 COWVMSNQKYUXAV-ONSIOUAISA-N 271.385 3.716 30 20 CHED FCC[C@@H]1CCCC1=NNCc1cc(F)ccc1F 794895585 FNDAAPJVZJYSJW-JTQLQIEISA-N 270.298 3.570 30 20 CHED C[C@@H]1CSCC1=NOCc1ccc(C(F)(F)F)cc1 794921612 BJKSZTMGPWYRNY-SECBINFHSA-N 289.322 3.961 30 20 CHED CCC(CC)=NNc1ncnc(Cl)c1C(C)C 797404460 DZUODUAOAKPUJZ-UHFFFAOYSA-N 254.765 3.841 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)CCCCC 798038406 XLYNYRYGYJSYIX-CABCVRRESA-N 281.440 3.690 30 20 CHED CCc1cccc(C)c1NN=Cc1cc(O)ccc1[N+](=O)[O-] 799493556 HENXPZZXFJRREQ-UHFFFAOYSA-N 299.330 3.617 30 20 CHED c1ccc2ncc(CNN=C3CCC34CCC4)cc2c1 799882792 DINHWIQCIKWDAF-UHFFFAOYSA-N 265.360 3.645 30 20 CHED Fc1cccc(Cl)c1NN=C1CCC12CCOCC2 799885080 AHYHFVYVDSDVHE-UHFFFAOYSA-N 282.746 3.838 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H]2CCCF)cc1 800967108 IFDBYYRZCUOXCF-HOTGVXAUSA-N 260.356 3.566 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@H](CC)c1ccccc1 804832439 MVZWLVNBRBBLCR-LJQANCHMSA-N 291.394 3.842 30 20 CHED CC[C@H]1CCC1=NNc1nc(-c2ccc(Cl)cc2)no1 807971100 ICFQFEJPSWUDNP-VIFPVBQESA-N 290.754 3.978 30 20 CHED COc1ccccc1CON=Cc1ccc(C(F)(F)F)[nH]1 807985875 BKWKHGNUZQQQOC-UHFFFAOYSA-N 298.264 3.593 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1nccnc1C1CCC1 807992255 BOEQDZXQXOYOLF-TZMCWYRMSA-N 272.396 3.968 30 20 CHED C#Cc1ccc(CN(CCC)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 809582131 SPNVDKZFVKABAE-GUDVDZBRSA-N 297.442 3.693 30 20 CHED C#C[C@H](N[C@@H]1CS[C@@H](C(C)(C)C)C1)C(C)(C)C 809781238 KGVGIMPOLHBNJQ-RWMBFGLXSA-N 253.455 3.544 30 20 CHED CCCCCCCCCNC(=O)OC1CCOCC1 810038863 IVLQSATZXVFDNF-UHFFFAOYSA-N 271.401 3.642 30 20 CHED CCC#C[C@H](C)N(Cc1ccccc1Cl)OC 810138714 IHOULHVEFGTHKJ-LBPRGKRZSA-N 251.757 3.505 30 20 CHED C=CCCCCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 811012816 YMTQZSRUYWMWDB-LLVKDONJSA-N 295.310 3.737 30 20 CHED C#C[C@H](NC(=O)CCCc1ccccc1Cl)C(C)(C)C 811528422 HYWUBHITEZIKIT-HNNXBMFYSA-N 291.822 3.827 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)s1 811688243 NQFBGIAYDARBMP-VOTSOKGWSA-N 271.316 3.963 30 20 CHED Fc1ccc(-c2nc(C=NOC3CCC3)cs2)cc1 812237645 AQMDGHLPIJPTLL-UHFFFAOYSA-N 276.336 3.852 30 20 CHED CC(C)OCCON=C1CCC[C@H](c2cccnc2)C1 812239843 BMWHWPBAUDYZCZ-AWEZNQCLSA-N 276.380 3.537 30 20 CHED C=CCCCCCCCNC(=O)c1coc(C2CC2)n1 813256765 KIOBXLJCAVKUNI-UHFFFAOYSA-N 276.380 3.808 30 20 CHED C=CCCC(=O)Nc1ccc2nc(Cl)sc2c1 813372728 OMZWMBBRURBPHZ-UHFFFAOYSA-N 266.753 3.854 30 20 CHED C#CCCCCCC(=O)Nc1c(-c2ccccc2)n[nH]c1C 813523663 XSPCOOAYPZICNJ-UHFFFAOYSA-N 295.386 3.907 30 20 CHED CCCC(=NNc1cccc(F)c1)c1ccccn1 814815476 ZBRXDOJNCJGSGT-UHFFFAOYSA-N 257.312 3.837 30 20 CHED C1=C([C@H]2CCCCC2=NNC2CCOCC2)CCCC1 814868647 BOICPKVVXSRKEY-MRXNPFEDSA-N 276.424 3.802 30 20 CHED C[C@H]1C(=NOC2CCCCC2)CC[C@@H](C(=O)O)C1(C)C 814910140 QYGZPMHLKKNQDF-AAEUAGOBSA-N 281.396 3.849 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)[C@H](C)CCCCC(=O)O 814917467 LTTQKISUAMFRLU-OCCSQVGLSA-N 282.428 3.812 30 20 CHED C=CCC(F)(F)C(=O)NC(C)(C)c1cccc(C)c1 815658552 FOYBFCNHYBSJOV-UHFFFAOYSA-N 267.319 3.558 30 20 CHED Cc1ccc2nc(C(=O)O[C@@H](C#N)C(C)(C)C)ccc2c1 816013728 ZRGMSPWZBVDIIX-HNNXBMFYSA-N 282.343 3.638 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@]1(C)Cc1ccccc1 816140509 WOCCZFKPAOLXBR-INIZCTEOSA-N 293.357 3.822 30 20 CHED CC(C)CN(CCC#N)Cc1ccc2ccccc2c1O 816481077 HYMHSYLIYITFBN-UHFFFAOYSA-N 282.387 3.917 30 20 CHED C#C[C@H](NCc1ccc2ccccc2c1O)C(C)(C)C 816612832 YZAHEAZECQCVFK-INIZCTEOSA-N 267.372 3.683 30 20 CHED C[C@@H](NN=C1CCC[C@@H](C(F)(F)F)C1)c1ccncc1 819815806 CXXKEEMDEUQWNQ-ZYHUDNBSSA-N 285.313 3.841 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H]1CCCCC1(F)F 820969747 QCHKJZARCXDIGK-VXGBXAGGSA-N 259.340 3.530 30 20 CHED C=C(CC)CNCc1c(C)nn(CCCC)c1Cl 825221324 IMLICWLJRAAIPZ-UHFFFAOYSA-N 269.820 3.701 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)C1 828293113 KNTOJQYFCUQCDR-JENIJYKNSA-N 296.414 3.723 30 20 CHED C#CCOc1ccccc1OC(=O)O[C@H](C)CC(C)C 830423525 SXOWNBNRZKYOSM-CYBMUJFWSA-N 276.332 3.649 30 20 CHED CC(C)C[C@H](C)OC(=O)N[C@H](C)c1cccc(C#N)c1 830751447 WVGWNBNFRPVPCK-QWHCGFSZSA-N 274.364 3.780 30 20 CHED C=CC(C)(C)CN[C@H](C)c1nc(Br)cs1 834882680 CTDIGRFNHGZMFC-MRVPVSSYSA-N 289.242 3.768 30 20 CHED C#Cc1cccc(CN[C@@H](c2ccccc2)C2CC2)c1 834901735 BNXQGCXDNZTTKR-IBGZPJMESA-N 261.368 3.909 30 20 CHED CCC(=NNc1oc(C(C)(C)C)nc1C#N)C1CCC1 834948979 FYMSYTJPYXQFNC-UHFFFAOYSA-N 274.368 3.822 30 20 CHED C=CCC1(C(=O)OCc2nc(C)c(C)s2)CCCC1 835188511 DTTXAMSUQIZALC-UHFFFAOYSA-N 279.405 3.940 30 20 CHED C=CCC1(C(=O)OCc2ccc(CC#N)cc2)CCCC1 835274088 WWCSJVAMMJOITI-UHFFFAOYSA-N 283.371 3.932 30 20 CHED C=CC[C@H](CC)NC(=O)NCC[C@]1(C)CC1(Cl)Cl 836441561 JIGILVFALWKDPF-CMPLNLGQSA-N 293.238 3.614 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(C)c2ccccc12 840628167 RURINKMKXDNVFX-GFCCVEGCSA-N 253.301 3.607 30 20 CHED CCC(CC)(CC)C(=O)Nc1nc(Cl)c(C#N)s1 841224393 NFARCFRJBIPIGZ-UHFFFAOYSA-N 285.800 3.823 30 20 CHED CCC(=NNc1ccnc(Br)c1)[C@H]1C[C@@H]1C 841632150 MPKYXGMRCIGJJB-WPRPVWTQSA-N 282.185 3.678 30 20 CHED CC(=NO[C@H](C)c1noc(C)n1)c1cc2ccccc2o1 842018191 YWENUYWGHFBFLG-SNVBAGLBSA-N 285.303 3.626 30 20 CHED C=C[C@](C)(CC)COC(=O)CCc1scnc1C 842344083 XPCGKEUEURSRTD-CQSZACIVSA-N 267.394 3.530 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)cc1SC 843724525 IZNSLYRYFMCVQZ-UHFFFAOYSA-N 265.353 3.680 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1c(C)cc(C)cc1Cl 844487117 CDKRMPDKDANKST-SNVBAGLBSA-N 268.744 3.584 30 20 CHED CC[C@H](CC#N)OC(=O)C1(c2ccccc2Cl)CCC1 845528720 LILNXEWKYZBWQO-GFCCVEGCSA-N 291.778 3.997 30 20 CHED Cc1cc(C#N)ccc1NCc1nnc(C(C)(C)C)s1 846753684 RYGXCFPDDJXNMH-UHFFFAOYSA-N 286.404 3.628 30 20 CHED CCCCCCCCC(=O)N(CC)c1cnn(C)c1 848342002 DKFYYJMNTKMODL-UHFFFAOYSA-N 265.401 3.524 30 20 CHED CCC(CC)NN=C1CCC[C@@H](NC(=O)OC(C)(C)C)C1 848405989 GIZZXRYWDIGTCZ-CYBMUJFWSA-N 297.443 3.588 30 20 CHED C=C(CNC(=N)Nc1ccc(CC)cc1)c1ccccc1 849078215 YAVDTEYZHGXZHE-UHFFFAOYSA-N 279.387 3.899 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1c(C3CC3)cnn1C)C2=O 849248330 PTNJTOGPKDJYHX-PXNMLYILSA-N 296.395 3.935 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1csc(COC)n1 851142443 QLRHKOKGQVLOPO-YPMHNXCESA-N 295.404 3.581 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CC1(C#N)CCCCC1 851202717 KZDRDSUSXZDWBH-ZDUSSCGKSA-N 276.380 3.722 30 20 CHED Cc1cc(F)c(CC(=O)O[C@H](C)CC(C)(C)C#N)cc1F 851205419 IEWSDBOIVSOYPL-LLVKDONJSA-N 295.329 3.687 30 20 CHED CCCCSCCC(=O)O[C@H](C)CC(C)(C)C#N 851209049 HWOCFFPPYCTZOM-GFCCVEGCSA-N 271.426 3.781 30 20 CHED C#C[C@](C)(CC)NCc1ccc(OCc2cccnc2)cc1 852101446 FZOUICFDHIWINQ-LJQANCHMSA-N 294.398 3.552 30 20 CHED CC1(C)C[C@]1(C)NC(=S)Nc1ccc(C#N)c(Cl)c1 853031201 IDRYQWDATKUXTP-AWEZNQCLSA-N 293.823 3.687 30 20 CHED CSc1cc(C)c(C(=O)OCC(C)(C)CCC#N)o1 853122103 NCYXEFNDRVKDGG-UHFFFAOYSA-N 281.377 3.797 30 20 CHED CO[C@@H](C=NOCc1ccc(F)cc1)C1CCCC1 853333933 XATNOCMBPWIAEP-HNNXBMFYSA-N 265.328 3.533 30 20 CHED CC(CCCCC#N)=NNc1ccc([N+](=O)[O-])cc1F 853396478 KGLLMQOHCPJFHI-UHFFFAOYSA-N 278.287 3.606 30 20 CHED CC(C)(C#N)CCSCCC1SCCS1 853773426 DCWOCHDGXSOPFT-UHFFFAOYSA-N 261.481 3.856 30 20 CHED CCCCCCC[C@H](C)NCC1(C(=O)O)CCC1 854244371 BTXQOUPYZQOAST-ZDUSSCGKSA-N 255.402 3.580 30 20 CHED CCCCCC[C@@H](C)C(=O)NCCc1ccc(C#N)cc1 855225197 NCXMTXGROSUVJX-OAHLLOKOSA-N 286.419 3.823 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc(C(C)C)c(C)s1 855238464 WJHXZIUBPNKVSQ-UHFFFAOYSA-N 264.394 3.563 30 20 CHED CCCCCCCC(=O)N1CCNc2ncc(C)cc21 857995693 FLVFBERARWHQOF-UHFFFAOYSA-N 275.396 3.509 30 20 CHED C=C[C@](C)(CCOC)COC(=O)C1CCC=CCC1 873520770 MIRRJOQUHWDTAN-MRXNPFEDSA-N 266.381 3.505 30 20 CHED C#CCCCCCCN[C@@H](C)c1n[nH]c([C@H](C)CC)n1 877474865 ICZBBNQZRSFYGI-KGLIPLIRSA-N 276.428 3.553 30 20 CHED C#CCCCCCCN1CCC[C@H]1c1cccnc1 877523718 MMWQSRWNGYVFAR-KRWDZBQOSA-N 256.393 3.802 30 20 CHED C=C(C)CN(CC)Cc1coc(-c2ccccc2OC)n1 877934523 BZJVDVDWLWWLKR-UHFFFAOYSA-N 286.375 3.748 30 20 CHED C=CC(C)(C)CC(=O)NCCc1csc(C(C)C)n1 878630589 FXALRIILTNWYHG-UHFFFAOYSA-N 280.437 3.528 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCC[C@@H]2SCC)CC1 889350693 JSVMLUZNECMCLX-KBPBESRZSA-N 267.438 3.523 30 20 CHED N#Cc1ccc(N2CC[C@H](c3ccccn3)C2)c(Cl)c1 893674705 FJZNMVRAGZAOOW-ZDUSSCGKSA-N 283.762 3.601 30 20 CHED C=C1CCC(c2nc(Cc3ccc(C)nc3)no2)CC1 896041027 SMINXAGCLLQMHG-UHFFFAOYSA-N 269.348 3.578 30 20 CHED C=CCC[C@H](C)Nc1ccc2c(c1)N(C(=O)CC)CC2 897768368 XZLFXFLSADWFRT-ZDUSSCGKSA-N 272.392 3.752 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](CCC(=O)O)c1ccccc1 901654230 XKBGOTIDVFUXCG-LZWOXQAQSA-N 275.392 3.783 30 20 CHED CC[C@H](N[C@H](CC)CSC)c1cccc(C#N)c1 902894757 PFKPRHVEIIEPTH-CABCVRRESA-N 262.422 3.741 30 20 CHED CC[C@H](Nc1cnn(CC(F)F)c1)c1cccc(C#N)c1 902915920 AVCYIDHCSVZDQI-AWEZNQCLSA-N 290.317 3.583 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cccc(C(F)(F)F)c1O 903033070 OTYFEWBNNHPCKP-JTQLQIEISA-N 298.308 3.755 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)NCC1(C#N)CC1 903106811 VZBSYGHKWMNLHV-SNVBAGLBSA-N 263.410 3.529 30 20 CHED C=C[C@@H](CC)Cc1nc(CCCCSC)no1 904160038 CEBMXCQKILQMDK-NSHDSACASA-N 254.399 3.510 30 20 CHED C[C@@H]1CCCC[C@@H]1/N=C\c1cc2ccccc2nc1O 912774555 JJALEPZUKULTQS-CRDJFZAASA-N 268.360 3.938 30 20 CHED Cc1nc2cc(F)ccc2cc1C(=O)OCCCCC#N 912959002 UDFWABNGDCAYLG-UHFFFAOYSA-N 286.306 3.533 30 20 CHED CCCCCOc1ccc(C(=O)/C=C\c2ccnn2C)cc1 913617563 JQSZERUJCGZDEC-FLIBITNWSA-N 298.386 3.885 30 20 CHED CC(=NNc1ccc(F)cc1)c1cccc(C#N)c1 915934642 IDYRMKJFFIOMID-UHFFFAOYSA-N 253.280 3.533 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2c(C)n[nH]c2C)cc1C 915984050 GJAIXDLFXZYGMC-VOTSOKGWSA-N 268.360 3.848 30 20 CHED C=CCN(C(=O)CCOc1ccc(F)cc1Cl)C(C)C 916047837 WDMJLTPBXJAGPE-UHFFFAOYSA-N 299.773 3.671 30 20 CHED COc1ccc2cc(C=NNCc3ccccc3)ccc2c1 916344224 FXZMZMDDEMSWJO-UHFFFAOYSA-N 290.366 3.972 30 20 CHED C=C(Br)COC(=O)C[C@@H](C)c1ccccc1 918802141 LNVBDUOWZRRXLO-SNVBAGLBSA-N 283.165 3.632 30 20 CHED CCCCCCCC(=O)Nc1cnc2n[nH]c(C)c2c1 920212861 MNHYIXKHGGSNPU-UHFFFAOYSA-N 274.368 3.565 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(C)cc1O 920382661 KROWJCTZQJGEBL-CYBMUJFWSA-N 268.360 3.775 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1 920790441 YKHXXPUGBWUPFG-YCPHGPKFSA-N 298.386 3.550 30 20 CHED COc1ccc(CC[C@@H](C)/N=C\c2cccc(O)c2O)cc1 921260530 AOYJIRVXRVWUPD-CQLSMYGBSA-N 299.370 3.547 30 20 CHED CCOCCC1(CN[C@@H](C)CC(C)(C)C#N)CCCC1 925271319 GHEZSFQUFFIXAL-HNNXBMFYSA-N 280.456 3.891 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC)c1cc(F)ccc1OC 925815270 VIBGUDJVJMKAOJ-AWEZNQCLSA-N 294.370 3.503 30 20 CHED C[C@H](CC(C)(C)C#N)NC1(c2cccc(F)c2)CC1 925878920 OJXHERIKXBLQLR-GFCCVEGCSA-N 260.356 3.733 30 20 CHED N#CC1(CCCCN2CCc3ccc(O)cc3C2)CCC1 929991823 KAAZXXSLEARJOF-UHFFFAOYSA-N 284.403 3.614 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnn(CC(C)C)c1C1CC1 935997865 NEUSQOQVTZGCEY-ZDUSSCGKSA-N 289.423 3.957 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccnc1-c1csc(C)c1 1120692389 GTGIJIRBTZJGNI-LLVKDONJSA-N 285.372 3.607 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](CC)CC(F)(F)F 1123625174 QGDHGUTVDPCBMG-VXGBXAGGSA-N 292.345 3.858 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)C1CCCC1 1129637510 GPYBLNBWIASDMJ-QGZVFWFLSA-N 284.403 3.955 30 20 CHED CCC(CC)N(CC)c1ncc(Cl)c(C)c1C#N 1150156423 OWOIFXACTJCLFA-UHFFFAOYSA-N 265.788 3.930 30 20 CHED CCC[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)C1CCC1 1219799056 DAJPFQFGDHNLJT-OAHLLOKOSA-N 289.354 3.788 30 20 CHED Cc1cc(F)c(CN(C)Cc2cccc(C#N)c2)c(F)c1 1235197484 JHNCEBGZJQLXKS-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=C(CNC(=O)N[C@@H](CC)[C@H]1CC1(C)C)c1ccccc1 1251694840 POEQWHYTGYKCDY-CVEARBPZSA-N 286.419 3.824 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@H](C3CC3)[C@H]2C2CC2)n1 1307122665 JOBWWYLLERAOMK-NVXWUHKLSA-N 295.430 3.876 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2ccccc2OC)CCC1 1318152473 UGZLTQJSXAOIAJ-UHFFFAOYSA-N 287.403 3.542 30 20 CHED C#CC[C@H](NC(=O)CC(C1CC1)C1CC1)c1ccccc1 1319515477 KCUFIRHHYCHDSK-SFHVURJKSA-N 281.399 3.694 30 20 CHED CC(=NNCC(C)C)c1sc2nc(C)nc(C)c2c1C 1320558477 YHCKSJRBBCFHTF-UHFFFAOYSA-N 290.436 3.586 30 20 CHED CCOc1ccccc1/C=C\c1cc(C#N)ccn1 1321169486 IVQALIARPSQRIN-FPLPWBNLSA-N 250.301 3.522 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)c1cnn(C)c1C 1322314340 CSQPYWAZGFSATO-ZIAGYGMSSA-N 263.429 3.904 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@H](C)n1cccc1 1326071598 NQBWJJMRSAOKKS-INIZCTEOSA-N 298.386 3.586 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Cc1c[nH]c2ccccc12 1337552430 WYLHYSKNYNLVOD-HNNXBMFYSA-N 282.387 3.668 30 20 CHED Cc1cc(Cl)nc(C(=O)OCC(C)(C)CCC#N)c1 1344882948 USHGYMGTYPREFB-UHFFFAOYSA-N 280.755 3.530 30 20 CHED C=C(CC)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 1346883838 TUORZHUHVAPUAR-UHFFFAOYSA-N 283.375 3.900 30 20 CHED CC(C)(C)c1ccc(NN=Cc2ccc3[nH]ccc3c2)nn1 1347385710 YNYAJUXPKSPDMX-UHFFFAOYSA-N 293.374 3.701 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 1356481958 VUPUUTQFXJXLJI-OCCSQVGLSA-N 287.407 3.880 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1csc(C#N)c1 1435034361 FABREEHAOJCSBY-RISCZKNCSA-N 276.405 3.708 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cc(OC)c(C#N)cc1F 1438030158 JADICLBKAKBRJG-JTQLQIEISA-N 292.354 3.717 30 20 CHED C=C(Br)CN(CC)CCOc1ccccc1C 1473570270 QFBMBSVAYHVUHA-UHFFFAOYSA-N 298.224 3.604 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cc2c(Cl)cncc2s1 1515210336 SJTSUPUXDOFVCZ-JTQLQIEISA-N 294.763 3.655 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)C1=COCCC1)c1cccs1 1519363016 DPNALOYRFAKAOM-RISCZKNCSA-N 291.372 3.576 30 20 CHED Cc1ccc(F)c(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 1529381047 UNRYUDZJIOQLNZ-CYBMUJFWSA-N 296.345 3.839 30 20 CHED CC1CC(Nc2c(C#N)cnc3c(Cl)cccc23)C1 1559128180 KXIGCDVHBONMAC-UHFFFAOYSA-N 271.751 3.970 30 20 CHED Cc1cccc2c1CCN2C(=O)Nc1cc(F)cc(C#N)c1 1563172815 WQNDNWZKMXJZDY-UHFFFAOYSA-N 295.317 3.600 30 20 CHED C=C[C@H](OC(=O)c1ccc(C)c(C(=O)O)c1)c1ccccc1 1573346549 BZMVOZIAODVNBY-INIZCTEOSA-N 296.322 3.777 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)[C@H](CC#N)c1ccccc1 1585551341 KDRQYOOQUAHTJV-ARFHVFGLSA-N 284.403 3.625 30 20 CHED C=CCCC[C@H](C)N[C@H](CC)c1ccc(-c2nn[nH]n2)cc1 1588594055 KFAFZHQFRGVDSR-XJKSGUPXSA-N 299.422 3.652 30 20 CHED C=C[C@@H](N[C@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)O 1588693491 ZTJFBZSVPSZNPE-CXAGYDPISA-N 297.354 3.769 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cc(C(=O)O)ccc1Cl 1607899628 ZZWGEDCATSMDEN-HWKANZROSA-N 290.702 3.836 30 20 CHED O=C(O)c1csc(C(=O)/C=C\c2ccc(Cl)cc2)c1 1608991365 RZWZTXYGYZBADR-UTCJRWHESA-N 292.743 3.996 30 20 CHED CC1(C)CCC[C@H](NC(=O)Nc2sccc2C#N)C1 1626074293 OTJDRDQCHRHUHV-NSHDSACASA-N 277.393 3.710 30 20 CHED Cc1nc(N2CCc3cccc(F)c32)c(Cl)cc1C#N 1650851665 KPYWUVSPUVVZLX-UHFFFAOYSA-N 287.725 3.748 30 20 CHED Cc1cccc(C)c1CN(C)Cc1ccc(C#N)s1 1654926193 YCZQODYGVZZTAY-UHFFFAOYSA-N 270.401 3.869 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(C)CCC(C)C 1760366387 YRUQTUQYUBMOFN-UHFFFAOYSA-N 284.835 3.636 30 20 CHED C=CCc1ccccc1CNC[C@H](CC(=O)O)CC(C)C 1776188561 MADFLTBAUHWLBL-HNNXBMFYSA-N 289.419 3.642 30 20 CHED CC(C)(C)OC(=O)Nc1cccc(C(C)(C)CC=O)c1 2332240124 OZEKYYMCJUTSHM-UHFFFAOYSA-N 277.364 3.900 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2ccc(C#N)cc2)o1 16433611 ZUUSYIZIRKDZFR-CXAGYDPISA-N 280.371 3.907 30 20 CHED N#Cc1ccccc1OCc1ccc(Br)s1 19437454 MQEZSDQBQXJIOI-UHFFFAOYSA-N 294.173 3.961 30 20 CHED N#Cc1ccccc1OCc1ccc(F)cc1Cl 19805109 DFTLHDQKYAFADG-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC(=O)Nc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1 19885842 NAACLBHVXHOUPR-LBPRGKRZSA-N 279.343 3.690 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(O)cc2)s1 26764895 CIWKFMVGBNEYMQ-WEVVVXLNSA-N 258.342 3.912 30 20 CHED Cc1csc(SCCCOc2cccc(C#N)c2)n1 37143661 BYBOXSRBHLMXSK-UHFFFAOYSA-N 290.413 3.884 30 20 CHED CCC(CC)[C@H](CN[C@H](C)c1cccc(C#N)c1)N(C)C 37241173 JFFFSJSOEMDSNJ-KDOFPFPSSA-N 287.451 3.575 30 20 CHED CC[C@@H](C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 41557158 UPIMAFCPKITYAH-ZJUUUORDSA-N 291.301 3.654 30 20 CHED C[C@@H](C#N)Sc1nnc(-c2ccc3ccccc3c2)o1 42181006 NRJHEJVUVBEQFQ-JTQLQIEISA-N 281.340 3.894 30 20 CHED C=CCSCC(=O)N[C@@H](C)c1ccc2ccccc2c1 44313829 DMXZQIYPZYYJBT-ZDUSSCGKSA-N 285.412 3.936 30 20 CHED CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C#N)cc1 45395408 TXANPGFPELVYEO-UHFFFAOYSA-N 298.773 3.874 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1C 45603477 IRRIKBWZABIHDC-MWLCHTKSSA-N 269.797 3.572 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cccc(F)c1 48578887 JNJSKSJZZJWMER-SNAWJCMRSA-N 277.276 3.692 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c(C)c1 51637746 GRRGVZDNFLCMNF-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1cccc2nc(CNc3ccc(Cl)cc3C#N)cn12 68772191 ZPEXCTZSERPOEB-UHFFFAOYSA-N 296.761 3.780 30 20 CHED CC(C)OCc1ccccc1CNCc1ccc(C#N)cc1 69673008 CRRDWHKOCVXNDV-UHFFFAOYSA-N 294.398 3.773 30 20 CHED Cc1ccsc1[C@H](C)NCc1ccc(C#N)cc1 70091575 LUGHELCFSXDVOR-LBPRGKRZSA-N 256.374 3.779 30 20 CHED Cc1c(F)cccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 72511024 SMRMNHVCXXXNJK-LBPRGKRZSA-N 297.333 3.889 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)CCCSCC#N 74991171 UQNUOFCNBGJPJR-ZDUSSCGKSA-N 296.867 3.850 30 20 CHED N#Cc1cccc(C(=O)N2CCCCC[C@H]2c2ccco2)c1 76509209 ATHBBVXRHLDXCX-INIZCTEOSA-N 294.354 3.909 30 20 CHED C#Cc1cccc(NC(=O)Cc2c[nH]c3c(C)cccc23)c1 78075906 SIUZZRFIKQHJQY-UHFFFAOYSA-N 288.350 3.639 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2cccc(C#N)n2)CC1 83798809 HCKIQYMMXHXXJQ-CYBMUJFWSA-N 257.381 3.606 30 20 CHED CN(CCc1cccs1)c1c(C#N)cnc2ccccc12 90801933 NZEZRGFBHDGBSJ-UHFFFAOYSA-N 293.395 3.847 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@H](C)c1cccc(C#N)c1 92326836 HBHOMVPCKMVVSW-MNOVXSKESA-N 269.348 3.575 30 20 CHED Cc1cccnc1CSc1nc2c(cc1C#N)CCCC2 92855056 YZQCMADOBRWOAH-UHFFFAOYSA-N 295.411 3.828 30 20 CHED C=C(C)CSCC(=O)Nc1cc(C)c(Cl)cc1OC 96538689 DJBLOTARKVRAPK-UHFFFAOYSA-N 299.823 3.905 30 20 CHED N#CCCCCN(Cc1ccccc1)CC1CCC1 102398057 DYKCBGHVNSYZTR-UHFFFAOYSA-N 256.393 3.983 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1ccccc1Cl 106421855 OZSHWNPYZYQBJE-UHFFFAOYSA-N 292.810 3.861 30 20 CHED C=CC1CCN(C(=O)c2cc(C)nc3cc(F)ccc23)CC1 110360124 YHXJPVFHYRFGKE-UHFFFAOYSA-N 298.361 3.721 30 20 CHED C=CC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 111257403 FFVWCQILXOROLA-UHFFFAOYSA-N 271.191 3.786 30 20 CHED N#Cc1cc(F)ccc1Cn1ccc(-c2ccccc2)n1 112602420 KLRDIQGQQVCAAC-UHFFFAOYSA-N 277.302 3.609 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1ccc(Cl)cc1 120216849 GPHRYGOFEMSPRE-VXGBXAGGSA-N 282.767 3.925 30 20 CHED COC(=O)C[C@H](C)SCc1ccccc1C(C)(C)C#N 120671684 FXAZCNFOPJJTBR-LBPRGKRZSA-N 291.416 3.673 30 20 CHED CC(C)C[C@H]1CCCCN1CCCSCC#N 123606413 MWQVGKSIBRQXCO-CQSZACIVSA-N 254.443 3.534 30 20 CHED CCc1cc(O)nc(CS[C@H](C)c2ccc(C#N)cc2)n1 125556222 MNLRIDIMEDVTTI-LLVKDONJSA-N 299.399 3.611 30 20 CHED CCCCCCCCC(=O)Nc1ccc(=O)n(CC)c1 131476761 BZQVTLYALDMHSY-UHFFFAOYSA-N 278.396 3.557 30 20 CHED C[C@@H]1CC[C@@H](Nc2c(C#N)cnc3ccccc23)C1 132736697 CSIKAAUPRJPGFL-DGCLKSJQSA-N 251.333 3.707 30 20 CHED COc1cc(F)cc(NCCCC(C)(C)C#N)c1 154395843 OKFQVCTZJWMPBS-UHFFFAOYSA-N 250.317 3.576 30 20 CHED C[C@H](Nc1ccc(F)cc1OCC#N)c1ccccc1 155441244 YXYXLBLKHBGSGO-LBPRGKRZSA-N 270.307 3.901 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H](C)c1ccc(F)cc1 160831979 NCMFSNWKUQAWGF-CYBMUJFWSA-N 298.361 3.899 30 20 CHED Cc1nnc(SCc2ccc(Cl)cc2)c(C#N)c1C 161144319 XCOCGDUUEOTABA-UHFFFAOYSA-N 289.791 3.911 30 20 CHED CC1(CC(=O)NCc2cccc(C#N)c2)CCCCC1 163719854 CYNYLYCSJIVOGI-UHFFFAOYSA-N 270.376 3.535 30 20 CHED C=CCN(CC1CCCCC1)Cn1cccnc1=S 171958458 CCIDACYBWCJIDA-UHFFFAOYSA-N 277.437 3.638 30 20 CHED C#CCCCNCc1ccccc1OC1CCCC1 174614648 KRGFEQJGEINRDF-UHFFFAOYSA-N 257.377 3.511 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)c1cc2ccccc2o1 176415243 GVIMVMRSTNSFHW-NEPJUHHUSA-N 257.333 3.617 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(C)nc1C)c1ccccc1 179085621 NWEOBUSKCSFZDN-HNNXBMFYSA-N 280.371 3.997 30 20 CHED C#CCCCNC[C@@H](C)c1cccc(Br)c1 179425866 DJYNIHSIEXWMBU-GFCCVEGCSA-N 280.209 3.556 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC(C)C)C(C)C 181087245 QPNVVYSCJXQZHN-CQSZACIVSA-N 254.418 3.807 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc(F)c(F)c1 184771998 DCIPPZSNGWQRET-HWKANZROSA-N 280.295 3.931 30 20 CHED CCCCCCCCCN(C)C(=O)c1nnc(C)s1 185376184 BMHYWCDWUHVARS-UHFFFAOYSA-N 283.441 3.669 30 20 CHED Cc1cc(C)cc(CCN[C@H]2CCC[C@@H](C#N)C2)c1 185838738 DQBONRYSOGAXTJ-SJORKVTESA-N 256.393 3.518 30 20 CHED CCC[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1C#N 186431629 ZQPIBKSNPCBFMY-CQSZACIVSA-N 289.354 3.884 30 20 CHED Cc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc(C)c1O 188886736 NOGMCHYGPGGISO-VOTSOKGWSA-N 298.386 3.991 30 20 CHED C=CC[C@H](C(=O)NCCCCCSC)c1ccccc1 189171899 OCKQYJLGENTVIU-INIZCTEOSA-N 291.460 3.996 30 20 CHED COc1cc(C#N)ccc1OCc1cc(Cl)ccc1F 230400487 PSDORFQJIFTDGY-UHFFFAOYSA-N 291.709 3.938 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2nccs2)C1 249037854 TWBFNUXAKAXXQL-FVQBIDKESA-N 297.427 3.904 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ncccc2C#N)C1 266185392 AMKJPXWNVRYLEW-MLGOLLRUSA-N 281.334 3.680 30 20 CHED CCC(CC)n1ccc(COc2ccc(C#N)cc2OC)n1 269360587 PJCITTOYTFSIJF-UHFFFAOYSA-N 299.374 3.703 30 20 CHED CCc1ccccc1C(=O)NC1(c2cccc(C#N)c2)CC1 269642042 HGQBBVNVIBRYEY-UHFFFAOYSA-N 290.366 3.540 30 20 CHED Cc1cc(C)n(CCSc2ccc(C#N)cc2Cl)n1 269925783 BTJGMDDTESUUTQ-UHFFFAOYSA-N 291.807 3.817 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)c1ccc(C)cc1)OCC 270037289 NGZHCRUSNCKLGI-GDBMZVCRSA-N 275.392 3.544 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1Cl)OCC 270140707 RMAGWWNTCKXRSH-ZDUSSCGKSA-N 267.756 3.650 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccn2C(C)C)c1 270642343 HDBTYLXRYPKLOP-UHFFFAOYSA-N 280.371 3.717 30 20 CHED C=CCC[C@@H](CC)NCc1nnc(C(C)(C)C)s1 271544519 UUHIXRCLBPXJKX-LLVKDONJSA-N 267.442 3.670 30 20 CHED CCc1ccc(-c2noc([C@@H](C)NCCCCC#N)n2)cc1 273283378 HDTALBBRYQTAPO-CYBMUJFWSA-N 298.390 3.643 30 20 CHED CC[C@@H](Nc1ncc(Cl)c(C)c1C#N)c1ccncc1 273381433 SYCNXBZRYSDFLK-CQSZACIVSA-N 286.766 3.873 30 20 CHED N#CC1(c2ccc(-c3nc(CCC4CC4)no3)cc2)CC1 273988641 LMKCBVQYXFDAEI-UHFFFAOYSA-N 279.343 3.634 30 20 CHED Cc1cc(CSc2nc(C(F)(F)F)ccc2C#N)on1 274961824 BATAGSBYZLJNHX-UHFFFAOYSA-N 299.277 3.561 30 20 CHED C#CCCCC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 278604888 COTUNHCVZCVFEC-WBVHZDCISA-N 269.388 3.503 30 20 CHED N#Cc1cc(N(C#N)CC(=O)C2CCCCCC2)ccc1F 278643119 JALKKVWYMKRAIW-UHFFFAOYSA-N 299.349 3.524 30 20 CHED C=CC[C@@H](CC)NC(=O)c1scnc1C(C)(C)C 281436555 RDGNEMMRXKWSFC-SNVBAGLBSA-N 266.410 3.525 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(F)c(F)cc1F 281540483 ZLMZIDPTKAECGE-QMMMGPOBSA-N 272.270 3.580 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 284985903 MJKJUUCZGHNSNV-YGRLFVJLSA-N 298.308 3.822 30 20 CHED CCCNc1ccc(C#N)cc1NCC1CC(OCC)C1 285147211 LNSXFDDHGHMQDP-UHFFFAOYSA-N 287.407 3.607 30 20 CHED C=CCCCCNC(=O)c1cscc1Br 286056223 LQPOSAQVDIHJEE-UHFFFAOYSA-N 288.210 3.597 30 20 CHED CCn1nc(C)c(/C=C2/C(=O)c3ccccc3[C@H]2C)c1C 288654693 BEDWEVFDMSSRFG-HPUUJOOBSA-N 280.371 3.903 30 20 CHED CCCNc1ccc(C#N)cc1NCc1scnc1C 290698628 VPPWDMXNCNINKC-UHFFFAOYSA-N 286.404 3.757 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)CCCC#N)c1C 292100768 LDYAMURYIKFVDS-MRXNPFEDSA-N 270.376 3.661 30 20 CHED C=CCN(C(=O)NCc1cccc(SCC)c1)C1CC1 292176127 WKIGWDPGIWLXOP-UHFFFAOYSA-N 290.432 3.659 30 20 CHED C=CCC(C)(C)C(=O)NCCc1csc(C(C)(C)C)n1 292781780 MARNYHKLZYZODB-UHFFFAOYSA-N 294.464 3.702 30 20 CHED CC(C)(C)c1cc(NC(=O)CSC2CC2)c(C#N)s1 297948511 VZAIZBSOLAFETB-UHFFFAOYSA-N 294.445 3.751 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1OCC(C)C 299260433 DKIKTJDZJHVQQU-AWEZNQCLSA-N 291.391 3.641 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)c1ncccc1C#N 301361727 OGYBPGSZJASBFA-KRWDZBQOSA-N 279.387 3.719 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@H]2Cc2ccccc2)cn1 301495075 BDMODSYOSMMUHR-MAUKXSAKSA-N 277.371 3.777 30 20 CHED N#Cc1nc(Nc2ccc3scnc3c2)ccc1Cl 302760578 XYUOPVCKRAEGDG-UHFFFAOYSA-N 286.747 3.960 30 20 CHED Cc1ccnc([C@H](Nc2ccc(C#N)c(Cl)c2)C2CC2)n1 302796844 AAHODYZFBASNAG-OAHLLOKOSA-N 298.777 3.873 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCOc1cccc(C#N)c1 303669003 FVDWBDPPYQJAFO-HFTRVMKXSA-N 284.403 3.590 30 20 CHED Cc1cc(C)cc(N/C(N)=N/Cc2ccc(F)c(C)c2)c1 303789169 VERNAJCWGXHUEN-UHFFFAOYSA-N 285.366 3.678 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](C(=O)O)[C@@H](C)C1 313740405 BVXOOUCOKKTSPK-LSDHHAIUSA-N 297.439 3.696 30 20 CHED C[C@@H]1C[C@@H](/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)CC(O)=N1 329363821 ZRKVFWIJTRQXCQ-RZFFKMDDSA-N 292.423 3.914 30 20 CHED CCC1(CC)CCC(N/C(O)=N/Cc2ccccn2)CC1 331022242 QJHVZRCWPURXPK-UHFFFAOYSA-N 289.423 3.834 30 20 CHED Cc1nnc(S[C@@H](C)c2cccc(C#N)c2)n1C(C)C 331267836 IVUYGINYUSMSON-NSHDSACASA-N 286.404 3.892 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(c2ncc(C)s2)CC1 335507245 LXUGZNIDQYNLFS-UHFFFAOYSA-N 292.448 3.760 30 20 CHED Cc1c(C#N)cccc1C(=O)N(Cc1ccco1)C(C)C 337908481 WKOJPYJMRUDSBY-UHFFFAOYSA-N 282.343 3.511 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC[C@@H](C)c2ccccc21)OCC 339207702 BPTNSNZZFNOVQY-RHSMWYFYSA-N 287.403 3.898 30 20 CHED N#Cc1cccc(CN2CCc3c(F)cc(F)cc32)c1F 340874940 QDVZUWOLRQXWPM-UHFFFAOYSA-N 288.272 3.538 30 20 CHED C=CCCN(C)C(=O)c1cc(C)c(Br)cc1C 342013310 CKLOOGMYJFVWTO-UHFFFAOYSA-N 296.208 3.714 30 20 CHED Cc1nsc(N(C)Cc2ccc(Cl)c(F)c2)c1C#N 342703051 PQWFALNIYJJYIE-UHFFFAOYSA-N 295.770 3.752 30 20 CHED Cc1ccc(C#N)c(Nc2cnn(CCC(C)C)c2C)n1 342787412 WWEDIVCWEKCRIA-UHFFFAOYSA-N 283.379 3.556 30 20 CHED CC(C)(C)c1nc(C(=O)Nc2ccccc2CC#N)cs1 344338365 PGIOFGUSOIPLTP-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C=CCC(CC=C)C(=O)Nc1sc(C)c(C)c1C#N 344696511 AOLKMAYSEPBYKN-UHFFFAOYSA-N 274.389 3.944 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2Cl)C1 345287297 MKMSSDJKSNERMF-KOLCDFICSA-N 262.740 3.586 30 20 CHED CC(C)Sc1ccc([C@H](C)NC(=O)[C@H](C)C#N)cc1 345812389 XTFCCTNMVROMHK-NEPJUHHUSA-N 276.405 3.524 30 20 CHED CCCCSc1ccc(Cl)cc1C(=O)N(C)CC#N 348735247 MUYKOOQIBGCXIW-UHFFFAOYSA-N 296.823 3.828 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CCc2nccs2)cc1 351760784 NHOAQLNFCRMUDS-UHFFFAOYSA-N 299.399 3.516 30 20 CHED CCc1cnccc1[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 353264203 XKXKJPNRAFSRGU-DJJJIMSYSA-N 291.398 3.854 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2c(F)cccc2F)CC1 354311431 KUQNOZIBRHDSCA-LLVKDONJSA-N 279.330 3.888 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(CCC#N)CC(F)(F)F 356256922 CEEUBSGRRFOVJD-VXGBXAGGSA-N 290.329 3.507 30 20 CHED Cc1cc(CN2CC3(CCC3)[C@H]2C2CC2)ccc1C#N 356283501 OKTIJRQKZNOHRA-QGZVFWFLSA-N 266.388 3.631 30 20 CHED CN(Cc1ccccc1C(F)(F)F)c1cccnc1C#N 357320423 XVFKOJLNPGPJJH-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=C[C@H](C)NC(=O)c1cccn1[C@H](C)Cc1ccccc1 358494448 FTEJNEPVCBTNBB-LSDHHAIUSA-N 282.387 3.596 30 20 CHED N#CCCNC(=O)Nc1ccccc1Oc1ccccc1 362950525 DIAZZAXHLKIPBJ-UHFFFAOYSA-N 281.315 3.514 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC2 371604176 CHMNTAZGUMNWFF-RDBSUJKOSA-N 299.374 3.526 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCC2(F)F)c([N+](=O)[O-])c1 390861122 HYWXZBQNUMNCMM-LLVKDONJSA-N 295.289 3.704 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2cc(F)cc(C)c2C1 409634666 YBPMPXCNPOSBQR-OAHLLOKOSA-N 290.382 3.557 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(Cl)c1C 410138985 WEXKXECDYBMQLM-LLVKDONJSA-N 251.757 3.733 30 20 CHED C[C@H](NCC[C@@H](C)O)c1ccc(-c2cccc(C#N)c2)cc1 411510861 ZTBYOWPMARLTFA-CABCVRRESA-N 294.398 3.647 30 20 CHED C=CCn1c(S[C@@H](C)C(C)C)nnc1-c1cccnc1 412988456 LXESMDNIEBOSNS-LBPRGKRZSA-N 288.420 3.663 30 20 CHED C[C@@H](SCCC#N)C(=O)Nc1cccc2ccccc12 413010329 GCBMKERHWZNNMI-GFCCVEGCSA-N 284.384 3.814 30 20 CHED CC(C)(CC#N)CN[C@H](Cc1ccccc1)C1CC1 414166957 OLYXWMXXWXZCIC-MRXNPFEDSA-N 256.393 3.537 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)CCN2 415856937 GNWDYARGKYAMMX-LBPRGKRZSA-N 273.380 3.521 30 20 CHED C=CCOCCS[C@@H](C)c1nccn1-c1ccccc1 419476782 OYRQSONQRYFYHF-AWEZNQCLSA-N 288.416 3.869 30 20 CHED N#Cc1ccc(CSCC2CC(F)(F)C2)cc1F 419511720 JAVPQQPCXAQCEE-UHFFFAOYSA-N 271.307 3.976 30 20 CHED CC[C@@H](CSCc1ccc(C#N)cc1Cl)OC 419646025 YPKNZNNKXUVLEY-LBPRGKRZSA-N 269.797 3.870 30 20 CHED N#CCC[C@@H](C#N)COc1c(F)cc(Cl)cc1Cl 424145158 YQCCEZJKLMPUMJ-QMMMGPOBSA-N 287.121 3.955 30 20 CHED CC(C)[C@@H](CCc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 424320727 GFSCSBNVKAHHLF-RCCFBDPRSA-N 270.420 3.926 30 20 CHED Cc1cc(C)c2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 424329608 PPEGNFZXPXVVAW-ZMSDIMECSA-N 284.403 3.799 30 20 CHED Cc1ccc(C(C)(C)CN[C@@H]2CC[C@H](C#N)C2)c(C)c1 426306218 FMMBSJUSCRGBHK-JKSUJKDBSA-N 270.420 3.863 30 20 CHED C=CCN(C)C(=O)NCC1(c2cccc(C)c2)CCCC1 430418515 XGZJIRYANJMDKB-UHFFFAOYSA-N 286.419 3.634 30 20 CHED CCc1ccc([C@@H]2CCN(c3ccc(C#N)c(C)n3)C2)cc1 431498339 VFRDVCOYQVBDDB-GOSISDBHSA-N 291.398 3.818 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccccc1F 433119567 VRNSYDZUNANSJG-CQSZACIVSA-N 282.318 3.537 30 20 CHED CC1(C)CCCN(C(=O)CCC2CCCCC2)[C@H]1C#N 434015952 FJAVSZJXIXUKHE-HNNXBMFYSA-N 276.424 3.888 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N2CCCC(C)(C)[C@H]2C#N)C1 434029981 FIFVEPRUBPRQQR-QLFBSQMISA-N 276.424 3.744 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CC[C@@H](Cc2ccccc2)C1 435739237 FPZDWNUIUDVHTR-YRPNKDGESA-N 299.458 3.969 30 20 CHED Cc1nc2ccccn2c1CSc1ccccc1C#N 439697586 LAOQHDSVLCLADA-UHFFFAOYSA-N 279.368 3.807 30 20 CHED CCc1cc(C#N)ccc1OCc1ccc(C#N)cc1 442106654 GNPGPWSLRCNWFL-UHFFFAOYSA-N 262.312 3.571 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@H]1CC 448788668 UJCHIJFOWCRHHG-KGLIPLIRSA-N 286.375 3.722 30 20 CHED CN(C)c1nc2cc(NC3CCC(C)(C#N)CC3)ccc2o1 449223095 NWAMLLFRJGKUAI-UHFFFAOYSA-N 298.390 3.778 30 20 CHED CC(C)Oc1ncc(Cl)cc1N[C@@H]1CC[C@H](C#N)C1 449542540 MQXJVYREQMTBRU-CMPLNLGQSA-N 279.771 3.626 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](OCCC)CC2)CCCC1 449851168 PYWNLPZSPLAXQF-INIZCTEOSA-N 293.451 3.931 30 20 CHED C=CCC1(C(=O)N2CCc3c(cccc3OC)C2)CCCC1 450527768 LWYITUFMISQBTN-UHFFFAOYSA-N 299.414 3.716 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1c1ncccc1C#N 450572329 UBOMHKAMZPWYMW-UMNHJUIQSA-N 283.297 3.509 30 20 CHED CC1CCC(C#N)(N(C)C(=O)[C@H](C)SC2CCC2)CC1 450994033 QXFHITVDAPNZRY-UYJPIKCFSA-N 294.464 3.591 30 20 CHED N#Cc1cc(NCCC(F)(F)F)ccc1Br 453118277 KYEZNJQSKYIYQV-UHFFFAOYSA-N 293.086 3.685 30 20 CHED N#CCc1cccc(NC(=O)NCCC2CCCCC2)c1 455909275 ARLFPWNWZKPWIE-UHFFFAOYSA-N 285.391 3.845 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@H](c3cccc(OC)c3)C2)CC1 456520052 YFLCIDXIOBPNQZ-WKILWMFISA-N 299.414 3.804 30 20 CHED C=C(CC)CNC(=O)[C@H]1CCC[C@H]1c1ccccc1 456822474 AZUWMEBJAHPXEU-HOTGVXAUSA-N 257.377 3.653 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(C2CC2)cc1 459546290 UGHNRDOLBRAERL-ZWKOTPCHSA-N 271.404 3.635 30 20 CHED C[C@H](CCc1cccc(F)c1)NCC(C)(C)CC#N 459728933 JPJRFIAMPLZGNW-CYBMUJFWSA-N 262.372 3.676 30 20 CHED CCc1ccc(CNC(=O)[C@H](C)c2cccc(C#N)c2)s1 461911381 RPMVBELDHJGGFI-GFCCVEGCSA-N 298.411 3.602 30 20 CHED C[C@@H](C(=O)N1CC(C)(C)CC(C)(C)C1)c1cccc(C#N)c1 462487248 DLLNYGSOKJHTHE-CQSZACIVSA-N 298.430 3.946 30 20 CHED Cc1ccc(C)c(CNCCc2cccc(C#N)c2)c1 466412703 VJABSFIYVUWAHC-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C=CCCN(C)C(=O)c1cc2ccccc2c(OCCC)n1 466648850 PIMTZTHNMFTTSR-UHFFFAOYSA-N 298.386 3.672 30 20 CHED C=CCCCCN[C@H](C(=O)OC)c1cccc(Cl)c1 471877731 OLCIZJUXSMWEBR-AWEZNQCLSA-N 281.783 3.500 30 20 CHED C=C(C)COc1cccc(NC(=O)NC(C)(C)CC)c1 472749548 KZTOFNQWELWQHO-UHFFFAOYSA-N 276.380 3.952 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl 476191277 MEKCHSTVHUGLAD-OCCSQVGLSA-N 290.794 3.847 30 20 CHED C=C[C@H](CC(=O)NC[C@H](C)C(F)(F)F)c1ccccc1 476329353 VUTKWKWISGRJJC-NWDGAFQWSA-N 285.309 3.661 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)c2ccccc2O1 484723668 CEMDNHMMHQOQNC-UHFFFAOYSA-N 284.384 3.797 30 20 CHED Cc1cc(CN2CC[C@H](Nc3ccccc3)C2)ccc1C#N 488177649 FZTQSMFROGEUBO-IBGZPJMESA-N 291.398 3.553 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3c(C)noc3C)c2c1 488295238 LTALGUKCJWOPTQ-UHFFFAOYSA-N 293.326 3.599 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H](C)c1ccc(OC)cc1 488393324 FXEUKJZQJONTKV-CQSZACIVSA-N 298.386 3.516 30 20 CHED Cc1cc(NC[C@H]2CCCCC(F)(F)C2)cc(C#N)n1 488429299 DUVSPLYBWAYEML-LBPRGKRZSA-N 279.334 3.889 30 20 CHED C=C(C)CNC(=O)N[C@H](Cc1ccccc1)c1ccccc1 488569122 SLBSJMCNDJAWSL-GOSISDBHSA-N 294.398 3.846 30 20 CHED C=CCOc1cccc(NC(=O)C[C@@H]2C=CCCC2)c1 488725251 ZZPOQKZXABHSFB-CQSZACIVSA-N 271.360 3.936 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)s1 488821007 JHBKGTJWONSKIX-SECBINFHSA-N 255.770 3.582 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H]1CCc2ccccc2C1 488861611 RALUUGUKJSXTIB-CRAIPNDOSA-N 283.415 3.749 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC2(CCC2)[C@@H]1C(C)C 489853667 GVCMOGWPMDESBV-CABCVRRESA-N 278.440 3.951 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)NCC(C)(C)CCC#N 491995243 DSVXYTMQFWYGHM-CABCVRRESA-N 293.455 3.974 30 20 CHED CC#CCCNC(=O)Nc1ccc(OCCC)c(Cl)c1 497667270 CESBAJHALXMLJL-UHFFFAOYSA-N 294.782 3.664 30 20 CHED C=CCC[C@H](O)CN[C@@]1(c2cccc(C)c2)C[C@H]1CC 502592608 GNQUVODDTRHSCV-NJAFHUGGSA-N 273.420 3.537 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@H](C#N)C2CCCCC2)C1 506529281 ZZCLTDMBGMKZRB-IJEWVQPXSA-N 276.424 3.791 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)NCc2cccc(C#N)c2)C1 509346258 VHAFOFNCOGOSBY-IRXDYDNUSA-N 299.418 3.572 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@H](C(C)(C)C)C1 511017158 PLFBWNKHZDQKNW-ZDUSSCGKSA-N 251.414 3.873 30 20 CHED C=C1CCN(Cc2ccccc2OCC(C)C)CC1 519566775 VZOUUKNRSJLSLO-UHFFFAOYSA-N 259.393 3.873 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1[C@@H](C)[C@@H]1C1CC1 528286823 ORTLUWSHEWKIHK-VHSSKADRSA-N 296.414 3.587 30 20 CHED Cc1cn(Cc2cccc(C(F)(F)F)c2)cc1C#N 531578561 RJVDVRCGCFOJTC-UHFFFAOYSA-N 264.250 3.735 30 20 CHED Cc1coc(-c2cccc(NC(=O)C3(C#N)CC(C)C3)c2)n1 531820900 JZWUAJSXGSVRRL-UHFFFAOYSA-N 295.342 3.528 30 20 CHED CC(C)(C)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 538728636 MRVLXQHIZVVEBE-HZPDHXFCSA-N 256.393 3.804 30 20 CHED C=CCC[C@@H](N[C@@H]1CN(C)Cc2ccccc21)C1CC1 539054683 IUTSSBRFTLFSJM-QZTJIDSGSA-N 270.420 3.508 30 20 CHED CO[C@]1(C)C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1(C)C 540708259 PJWQDYCDGOPJQK-XQAQDONZSA-N 290.382 3.552 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 542399280 RTYZJLGQDKTEIX-LBPRGKRZSA-N 289.354 3.597 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OC)c2cccnc12 547775182 UNTIROFCCMWMFO-UHFFFAOYSA-N 299.374 3.721 30 20 CHED CCc1[nH]c2ccccc2c(=NCCCCC#N)c1C 548774027 VPZYNNBRVUZOTL-UHFFFAOYSA-N 267.376 3.633 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc2ccccc2c1 553002933 QMNVBIUCQKBXSS-CABCVRRESA-N 269.388 3.675 30 20 CHED C[C@@H]1COCC[C@@H]1CNc1ccc(C#N)cc1C(F)(F)F 553650356 YFQLDYRPKUNTRQ-ZYHUDNBSSA-N 298.308 3.662 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@H](CC(C)C)C1 555222892 HTLLWQPVSCZSJK-CQSZACIVSA-N 288.439 3.604 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](C(C)C)C1 555291136 SKFPNERZHMQCQS-OAHLLOKOSA-N 288.439 3.604 30 20 CHED N#Cc1csc(CNC[C@@H](c2ccccc2)C2CC2)c1 556884792 QEDKZAZLXKFHIE-KRWDZBQOSA-N 282.412 3.903 30 20 CHED C=CCCCCN1CCN(C/C=C/c2ccccc2)CC1 560186403 MCQRTWFGJWVTFB-FMIVXFBMSA-N 284.447 3.674 30 20 CHED CCC[C@H](C#N)NC(=O)c1coc2ccc(C(C)C)cc12 561097753 LCGWURURCBYQPF-CYBMUJFWSA-N 284.359 3.978 30 20 CHED CCn1cc(N(Cc2ccc(CC#N)cc2)CC(C)C)cn1 565841728 JKRYNSDTSSEETR-UHFFFAOYSA-N 296.418 3.632 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC[C@H](F)C2)c1 566413912 WDJYVIMLOGJEHI-ZDUSSCGKSA-N 292.354 3.607 30 20 CHED CC[C@H]1C[C@@H](C)CN1C(=O)Nc1scc(C)c1C#N 566420962 SYPSATNIPYVCOP-KOLCDFICSA-N 277.393 3.581 30 20 CHED C=CCOCCN(CC=C)Cc1ccc(Cl)s1 567182279 DLXJBBZAHDCTKN-UHFFFAOYSA-N 271.813 3.592 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1ccc(C#N)cc1 573332111 MMLDVAZACGQASW-YOEHRIQHSA-N 298.430 3.774 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1ccc(C#N)c(F)c1 577750640 OWSTZKBLHPRLCE-ZLKJLUDKSA-N 264.319 3.629 30 20 CHED CC(C)(C)OC(=O)CCS[C@@H](C#N)c1ccccc1 579375841 VTNMJSFKFNUOQM-ZDUSSCGKSA-N 277.389 3.716 30 20 CHED C=CCCCCn1nc(C(C)(C)C)c(CCC#N)c1O 580053902 FSRWAKWNSSLXER-UHFFFAOYSA-N 275.396 3.699 30 20 CHED C=C(C)CN(Cc1ccccc1)S(=O)(=O)[C@@H](C)CCC 580777798 JEWWPXIACRNNRY-HNNXBMFYSA-N 295.448 3.583 30 20 CHED Cc1ccccc1-c1ccccc1CNC[C@@H](C)C#N 581231459 HIYLELZLDCCNQS-AWEZNQCLSA-N 264.372 3.911 30 20 CHED CC[C@](C)(C#N)c1nc(C(F)(F)c2ccc(F)cc2)no1 581909863 XAGSPXXPQUGKRZ-CYBMUJFWSA-N 295.264 3.540 30 20 CHED CCS[C@H]1CCC[C@H](NC(=O)CCCCCC#N)C1 588160483 WICRYNMWZUWBKR-KBPBESRZSA-N 282.453 3.641 30 20 CHED Cc1ccc(F)c(CN(C)C(=O)CCCCCC#N)c1 588165470 RZNSOYYJENEOBS-UHFFFAOYSA-N 276.355 3.567 30 20 CHED N#Cc1cc(Cl)cc(OCc2noc3c2CCCC3)c1 588308589 ITTDYIWEUWFVJI-UHFFFAOYSA-N 288.734 3.657 30 20 CHED N#Cc1cnc2ccccc2c1N1CCC(C2CC2)CC1 589872760 DAUNTAGGRDDMOU-UHFFFAOYSA-N 277.371 3.733 30 20 CHED C[C@H](N=c1[nH]c(C#N)c(Cl)s1)c1ccccc1Cl 590569257 MWFCDFUYSJAQFY-ZETCQYMHSA-N 298.198 3.917 30 20 CHED C[C@H]1C[C@@H](C(=O)N2CCC(CCC#N)CC2)CC[C@H]1C 592817789 OFEDABKPVTUPCP-YCPHGPKFSA-N 276.424 3.601 30 20 CHED Cc1ccc(-c2ccc(C[C@H](O)C3CC3)cc2)c(C#N)c1 592989373 TYPLDOFTFIPLAV-IBGZPJMESA-N 277.367 3.847 30 20 CHED CCCN(C(=O)[C@H](C#N)CC)[C@@H](C)c1ccccc1OC 593425742 OJJNYMRVVBZLOQ-KBPBESRZSA-N 288.391 3.545 30 20 CHED C=CCCSCCN[C@@H]1CCc2c(OC)cccc21 595059414 NZGIQKQYIQSOQU-OAHLLOKOSA-N 277.433 3.581 30 20 CHED C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1 595092349 URMZVELNANHXHB-SGTLLEGYSA-N 278.355 3.602 30 20 CHED Cc1cc(C)cc(OCCCN2CCC[C@@H](CC#N)C2)c1 595612220 UAFUWNCEMBCUIK-KRWDZBQOSA-N 286.419 3.698 30 20 CHED N#Cc1[nH]c(=N[C@@H]2CCCc3sccc32)sc1Cl 596195936 OSYUQKOOMSHJLZ-MRVPVSSYSA-N 295.820 3.641 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1C[C@H](c2ccccc2)C1 596217074 YQHOVAQCAOSKAA-KOMQPUFPSA-N 263.344 3.620 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1 597178049 UYLCIQCOGDRVFW-HNNXBMFYSA-N 284.403 3.601 30 20 CHED C[C@H](C#N)N(C(=O)c1cccc(C(C)(C)C)c1)C1CC1 598135906 AXZSQFMUGMAMTG-GFCCVEGCSA-N 270.376 3.501 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)c2cccc(C#N)c2)c1 599160458 JUQGDUYUIFIXKB-ZWKOTPCHSA-N 290.366 3.633 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@H]2c2ccc(F)cc2F)n1 599176911 FTOMASDYGSIUEE-DZGCQCFKSA-N 285.297 3.508 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc(-c2ccccc2)oc1C 599235295 VCZQULLPHHGZPW-AWEZNQCLSA-N 282.343 3.677 30 20 CHED N#CCC[C@H](C#N)CN[C@@H]1CCCc2ccc(Cl)cc21 600616506 XXWKURKLPYPNDN-MLGOLLRUSA-N 287.794 3.751 30 20 CHED C=C(C)CN1C[C@H](c2ccccc2Cl)OC[C@H]1C 600728851 YSAOCRAMAPSTMO-IUODEOHRSA-N 265.784 3.678 30 20 CHED N#Cc1cc(F)cc(NCc2cccc(F)c2F)c1 600858918 XANSNMRBOCGVDI-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C[C@@H](CCC#N)CNCCCSc1ccccc1 602511109 SFGHJYUHEFGCBH-AWEZNQCLSA-N 262.422 3.698 30 20 CHED C[C@@H]1CCCN([C@H](C)CNc2cccc(Cl)c2C#N)C1 603857268 HKQBHSSBJAMOJF-CHWSQXEVSA-N 291.826 3.744 30 20 CHED C[C@H](C(=O)NCc1ccc(C#N)cc1)c1cccc(Cl)c1 610222898 QGTSPMHVHLUVPZ-LBPRGKRZSA-N 298.773 3.632 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1cc(C#N)cs1)CC2 610488719 CLFXORJSADJGPH-INIZCTEOSA-N 268.385 3.705 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 610650341 AOILFRHXVXKBSE-KSSFIOAISA-N 294.398 3.998 30 20 CHED CCC(CC)[C@@H]1C[C@H](Nc2nccc(C)c2C#N)CCO1 612092297 CSXWSXQMVWVGGJ-ZBFHGGJFSA-N 287.407 3.657 30 20 CHED CC(C)(CN1CCC[C@@](C)(C#N)C1)c1ccccc1 612406122 IPKWSCSKXLWBBC-KRWDZBQOSA-N 256.393 3.590 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(C)c2C)C1 617789781 TXMJVKZPXFQBEA-HNNXBMFYSA-N 257.377 3.732 30 20 CHED C=CCN(C(=O)c1cc2ccncc2s1)C(C)(C)C 622945899 XPRIHPYQPGAORS-UHFFFAOYSA-N 274.389 3.723 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H](C)c1ccc(C)cc1 628258523 HLJFAMBHCOGTBA-JQHSSLGASA-N 273.420 3.669 30 20 CHED C=CC[C@@H]1CCCC[C@H]1N[C@@H](c1nccn1C)C1CC1 639304103 XBBGCWINMHZPRF-FVQBIDKESA-N 273.424 3.596 30 20 CHED C=CCCCS(=O)(=O)Nc1c(C)cc(C)cc1Cl 644635761 LZGBJEGTUZKARA-UHFFFAOYSA-N 287.812 3.665 30 20 CHED C=CCCNC(=O)N(C)Cc1cccc(Cl)c1Cl 661571068 WCPIFASMGKWKHE-UHFFFAOYSA-N 287.190 3.711 30 20 CHED C=CCCCN(C)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 661914458 LKQXIWPYYLMFLL-HZPDHXFCSA-N 272.392 3.540 30 20 CHED C=CC[C@@H]1CCCN(c2ncnc3cccc(F)c23)C1 664254386 WJQNYFJFELFUEZ-GFCCVEGCSA-N 271.339 3.561 30 20 CHED C=CC[C@H]1CCCN(Cc2cn(C(C)C)nc2C)C1 668493232 LCHFUJODMORVJU-HNNXBMFYSA-N 261.413 3.561 30 20 CHED C=CCCOCCCCC(=O)N[C@@H](C)c1ccsc1 669860813 RFAGQXXQYFUMKN-ZDUSSCGKSA-N 281.421 3.688 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 674934314 XBNAMEQRHPORJC-WBVHZDCISA-N 286.419 3.534 30 20 CHED C=CCN(C(=O)Cc1c(C)nc2ccccc2c1C)C1CC1 678577724 KAKMECPTXKZLKJ-UHFFFAOYSA-N 294.398 3.571 30 20 CHED C=CCCOCc1nc(Cc2c[nH]c3c(C)cccc23)no1 680753347 BEGRNTBWZQLCOL-UHFFFAOYSA-N 297.358 3.543 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(O)c(F)c2)CCCC1(C)C 683517643 OFNYWVVJWQCFNT-OAHLLOKOSA-N 291.366 3.738 30 20 CHED C[C@@H](Cc1cccs1)N[C@H](C)CC(C)(C)C#N 695861109 YJFQDZITPWXJFM-NWDGAFQWSA-N 250.411 3.597 30 20 CHED C=CCCC(=O)n1ccc(C)cc1=NC1CCCCC1 726499170 DOQRVLDUCBDCJV-UHFFFAOYSA-N 272.392 3.636 30 20 CHED CCCCCCC[C@H](C)CNc1nccnc1C#N 726595894 WTOQEYAOEWKHNI-ZDUSSCGKSA-N 260.385 3.757 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C1(C)CCOCC1 726754014 MGTNEMZJKLCHPD-OAHLLOKOSA-N 283.456 3.916 30 20 CHED CCCCCCCC(=O)Nc1nc(C)c2c(n1)CCCC2 727848411 LOSKWVCTHALGNM-UHFFFAOYSA-N 289.423 3.963 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 729072389 IIFGNDITHKYHAD-CYBMUJFWSA-N 276.376 3.871 30 20 CHED CCC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccn1 729149727 OGWROWSWZGZXOK-XWAFYUISSA-N 299.330 3.656 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1ccc(O)cc1 730732135 CHSPWHSESNPYDR-RMKNXTFCSA-N 260.239 3.567 30 20 CHED C=CCOC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 730881322 YQJNTXHXSZLWNK-CVEARBPZSA-N 252.313 3.673 30 20 CHED C=C(C)COC(=O)C1(c2ccc(C)c(OC)c2)CCCC1 731084626 KURGEGIPJPMOSA-UHFFFAOYSA-N 288.387 3.935 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)C(C)(C)C 734652468 VTZXIPANDKDMJZ-LBPRGKRZSA-N 273.380 3.670 30 20 CHED Oc1cccc(/C=N/[C@@H]2CCC[C@@H]2Cc2ccccc2)c1O 737440852 SJQRDJJTFCLTOA-GUTWODCUSA-N 295.382 3.928 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C/c1ccc(C#N)cc1)CO2 737442357 AARMFDMOZXHJLC-CXUHLZMHSA-N 289.334 3.834 30 20 CHED COc1cc(CN(CCC#N)CC(C)C)ccc1SC 739915214 WOERFLRJWQGICS-UHFFFAOYSA-N 292.448 3.789 30 20 CHED CCC(=NNc1ccccc1Cl)[C@H]1CCOC1 741836528 BTFABUUENVTYSX-JTQLQIEISA-N 252.745 3.554 30 20 CHED C=C(C)CCOC(=O)C1(c2cc(C)cc(C)c2)CC1 744299484 CPVQQOVPXHBTFI-UHFFFAOYSA-N 258.361 3.844 30 20 CHED CCCNN=C1CCCc2nc(-c3ccccc3)sc21 747048264 VPUUZZUZZGPRPO-UHFFFAOYSA-N 285.416 3.850 30 20 CHED CCCCCCC(C)=NNc1nc(C)cc(OC)n1 747634195 AODFHVAKZKPSFT-UHFFFAOYSA-N 264.373 3.552 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)Nc1cccc(C)c1C 748240694 RRZXQHHTIKENPP-AWEZNQCLSA-N 289.375 3.530 30 20 CHED N#Cc1ccc(C=NNc2cccc(Cl)c2)s1 748778473 LWWOKIPPCUGOKM-UHFFFAOYSA-N 261.737 3.719 30 20 CHED CC1(C)[C@H]2CC=C(COC(=O)Cc3ccc(C#N)cc3)[C@@H]1C2 750397830 FRIYEYHZBZQSFN-IRXDYDNUSA-N 295.382 3.636 30 20 CHED C#CC[C@H](OC(=O)CCc1c[nH]c2c(C)cccc12)C1CC1 750777072 BIOIGSSASCDULR-KRWDZBQOSA-N 295.382 3.754 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccc(C#N)cc1F 753135876 BPVYKYTZMQCKBE-UHFFFAOYSA-N 294.333 3.613 30 20 CHED N#Cc1ccccc1C=NNc1ccc(OC(F)F)cc1 755681286 ADPPHOWTJAZLFH-UHFFFAOYSA-N 287.269 3.606 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H]2C[C@H]2c2ccccc2)n1 755745413 TYCYFUBSUURMIT-STQMWFEESA-N 286.766 3.640 30 20 CHED N#Cc1cc(F)c(C(=O)OCCC2CCCC2)c(F)c1 756268089 UASBKCTURWFNMH-UHFFFAOYSA-N 279.286 3.574 30 20 CHED C#CC[C@@H](Nc1nc(C)c(C)s1)c1ccccc1 756952839 CWUXKSKKYVQKOJ-CQSZACIVSA-N 256.374 3.936 30 20 CHED C#CC(C)(C)NC(=O)c1cccc(-c2c(F)cccc2F)c1 756995243 FJISFELWFRRHOG-UHFFFAOYSA-N 299.320 3.773 30 20 CHED C#CC[C@@H](NC(=O)N(CC)C[C@H](C)CC)c1ccccc1 757760991 LTKKBFYYBHMCGO-NVXWUHKLSA-N 286.419 3.829 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccc(F)cc1O 759083065 HCEFFYMFROATKC-ARJAWSKDSA-N 283.711 3.537 30 20 CHED COCCCC(C)=NNc1ncnc2c1oc1ccccc12 759197062 PJPCAIWQSUOZJV-UHFFFAOYSA-N 298.346 3.590 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](C)C(=O)OC1CCCC1 763304938 PVQRZAIIOHJWKQ-UONOGXRCSA-N 267.413 3.585 30 20 CHED COc1cccc(NN=C(C)CCc2ccsc2)n1 764907145 DZVIUDPQPQYJTG-UHFFFAOYSA-N 275.377 3.572 30 20 CHED Cc1cc(OC(=O)C[C@@H]2CCC[C@H]2C)ccc1C#N 765093661 LPPPDLPLWYVCEM-YPMHNXCESA-N 257.333 3.598 30 20 CHED COc1ccc(C/N=C/c2c(O)ccc3ccccc23)nc1 766282474 BDZSJPUMXQGZBG-XDHOZWIPSA-N 292.338 3.568 30 20 CHED C#Cc1cccc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 766444518 CMZZNJOUAMRYFO-OXJNMPFZSA-N 290.410 3.600 30 20 CHED C=C(Cl)C[S@](=O)Cc1nc(-c2ccccc2)cs1 766875378 GJSGXEPFXWJOHA-SFHVURJKSA-N 297.832 3.811 30 20 CHED Oc1ccc(Cl)cc1/C=N\[C@H]1CCOC2(CCC2)C1 767688113 JMWQGPPMUZWMIX-NWRYFCBHSA-N 279.767 3.566 30 20 CHED COCc1ccc(NCc2ccc(C#N)c(C)c2)cc1 767736382 RGKPHTUVBHRQAH-UHFFFAOYSA-N 266.344 3.625 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCO[C@@H](C)C1 770231202 XWYBAYNSXCWCAP-GJZGRUSLSA-N 269.429 3.811 30 20 CHED CCCCCCCCNC(=O)N1CCCC2(CC2)C1 770456795 AAQDXOLOFRSCFQ-UHFFFAOYSA-N 266.429 3.933 30 20 CHED CC1(C)Cc2cc(NCc3ccc(C#N)s3)ccc2O1 770602592 UEGDBEZNZGDQFC-UHFFFAOYSA-N 284.384 3.945 30 20 CHED COc1cc(C)c(N=Cc2c(O)cccc2OC)cc1F 773905377 HPQRAVNEIINWFH-UHFFFAOYSA-N 289.306 3.608 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1ccncc1 776188395 MJYAAQMIWZVJJB-WAYWQWQTSA-N 260.296 3.526 30 20 CHED CC(C)OCc1ccc(C(=O)OCCC(C)(C)C#N)cc1 776368330 UUWNIBCLPGKCKH-UHFFFAOYSA-N 289.375 3.708 30 20 CHED CC(C)CO[C@@H]1CC(=NNc2cc(Cl)ccn2)C1(C)C 777905576 MSZOZAFGAWCBEK-CYBMUJFWSA-N 295.814 3.974 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1cc(C)cc(C)c1 780253204 QZUYRZKLPQVPKT-MRXNPFEDSA-N 274.408 3.575 30 20 CHED CCO[C@@H]1CC(=NNc2ncncc2Cl)C1(CC)CC 780281515 NJHLPFUDGNTFCF-GFCCVEGCSA-N 296.802 3.513 30 20 CHED C=CCCCCCN(C)C(=O)/C=C/c1cccc(O)c1 780778113 ZIFGQNBQBWETGN-VAWYXSNFSA-N 273.376 3.610 30 20 CHED Cn1c([C@@H](C#N)C(=O)[C@H]2CCC(C)(C)C2)nc2ccccc21 781752174 VIFBGDJDSQIPHR-STQMWFEESA-N 295.386 3.576 30 20 CHED CCCc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 783295068 YNRLCOGUXLZTCG-CQSZACIVSA-N 279.387 3.757 30 20 CHED CN(C(=O)CCCc1ccsc1)c1ccc(C#N)cc1 783491557 WRRUINQMDUWHCB-UHFFFAOYSA-N 284.384 3.605 30 20 CHED Fc1cc(Cl)ccc1C=NNc1cc(Cl)ccn1 783523724 IVAJASFJKABPSV-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CC[C@H]1CCC[C@@H](C=NNC(=S)Nc2cccnc2)C1 783799528 PELMMHMRGSZMIC-QWHCGFSZSA-N 290.436 3.570 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc2ccccc2n1 785759639 NNROFEXCRJMULR-QGZVFWFLSA-N 269.344 3.880 30 20 CHED C#CCCN(Cc1cccc(CC)c1)CC(F)(F)F 787309741 SAGCTUOQJVFYPP-UHFFFAOYSA-N 269.310 3.637 30 20 CHED C#CCC1(C(=O)Oc2ccc(OC)cc2)CCCCC1 788423934 STQBKHNAJFCKKT-UHFFFAOYSA-N 272.344 3.574 30 20 CHED C=CCC[C@H](NC[C@H](O)c1ccc(C)cc1)c1ccco1 789744026 ONCITGKNLKKFOQ-IRXDYDNUSA-N 285.387 3.919 30 20 CHED Clc1sccc1C=NN=c1cc[nH]c2ccccc12 790161050 BFXPLJMKAXAQOM-UHFFFAOYSA-N 287.775 3.818 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1ncc[nH]1 790173342 HOMKJALFSDUFRF-UHFFFAOYSA-N 256.353 3.543 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)Cc1ccc2ccccc2c1 791067676 UDVOWIRTEUFVBV-SFHVURJKSA-N 294.398 3.783 30 20 CHED C=CCC1(C(=O)OCC(=O)CCC2CCCC2)CCC1 791560697 LGDDJBXGOCQXEK-UHFFFAOYSA-N 278.392 3.816 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 792951525 HFENIHWUWMOZME-CQSZACIVSA-N 292.810 3.555 30 20 CHED Fc1ccc(C(C[C@@H]2CCOC2)=NOC2CCCC2)cc1 793039318 MNFQEPFGNBIEKG-ZDUSSCGKSA-N 291.366 3.916 30 20 CHED CC(=NNc1ncncc1F)C1(c2ccccc2)CCCC1 793217650 IWJPWIRLUYGQAH-UHFFFAOYSA-N 298.365 3.916 30 20 CHED CCCC[C@@H]1CCCC1=NNCCC(F)(F)F 794546944 DTZHTUZWBAKZGD-SNVBAGLBSA-N 250.308 3.875 30 20 CHED Cc1cccc(CCC/N=C\c2cc(Cl)ccc2O)n1 794682833 XUJDOMRYTXHUPB-WQRHYEAKSA-N 288.778 3.801 30 20 CHED C(=NNc1cnc2ccccc2n1)c1ccc2occc2c1 794903033 YGQNVHIBMVPATO-UHFFFAOYSA-N 288.310 3.822 30 20 CHED Cc1nsc(C)c1C(=O)OCCCCC(C)(C)C#N 795947284 CZTWDSNGDYPDDH-UHFFFAOYSA-N 280.393 3.637 30 20 CHED C[C@@H]1CC[C@H](OC(=O)C[C@@H](CC#N)c2ccccc2)C1 796817736 BKFNSEHTFDKFDG-BMFZPTHFSA-N 271.360 3.806 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1cc(C)ccc1F 798375540 KDNUMJACZVZRLH-NSHDSACASA-N 266.385 3.775 30 20 CHED C=C(Cl)CN[C@H](C)Cc1cccc(C(F)(F)F)c1 798930095 JKGVWDHUHDLOPG-SNVBAGLBSA-N 277.717 3.979 30 20 CHED Cc1cc(C(=O)/C=C\c2cccnc2Cl)oc1C 799896173 GYFJGVRCNZYJAF-WAYWQWQTSA-N 261.708 3.841 30 20 CHED FCCC[C@H]1CCCC1=NNCc1cc(F)ccc1F 800810228 JLFBDYTUXKPQFC-LLVKDONJSA-N 284.325 3.960 30 20 CHED C[C@H](C#N)OCCN1CCCCC[C@H]1c1ccccc1 801913046 MZBCWBQYNLOUMZ-WBVHZDCISA-N 272.392 3.532 30 20 CHED CC[C@](C)(C#N)C(=O)OCCC1CCCCCC1 802836375 OKXXOYNCTHAXQV-OAHLLOKOSA-N 251.370 3.830 30 20 CHED C[C@@H](OC(=O)c1cnccc1C#N)c1ccc(Cl)cc1 805717715 UUBATTYNJMJKCA-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cccc(Cl)c1OC(C)C 806284572 ZPWJQTJIUFEHPN-LLVKDONJSA-N 294.782 3.661 30 20 CHED C#C[C@H](NC(=O)N1CCC=C(c2ccccc2)C1)C(C)(C)C 808317434 SCCMLOJMEGAMIF-KRWDZBQOSA-N 296.414 3.533 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cnccn1)CC2 809156341 ATFJTOCVONQKRQ-DHDCSXOGSA-N 278.355 3.813 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(-c2ccccn2)cc1 810335906 USAFVTFRKOHKSG-OAHLLOKOSA-N 293.370 3.672 30 20 CHED C=CCCCCOC(=O)c1c(-c2ccccn2)noc1C 811012488 MTXOOWJKCSUPQS-UHFFFAOYSA-N 286.331 3.558 30 20 CHED CC(=NNC[C@H]1CCSC1)c1oc2ccccc2c1C 811660785 VDJDAAZQBXLXBV-CYBMUJFWSA-N 288.416 3.808 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1cccs1 811684785 CSVJRQRJNMONGQ-SREVYHEPSA-N 257.289 3.655 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1cn(C)c(C)n1 812231831 GWKZMNCNLXJFPR-UHFFFAOYSA-N 284.407 3.996 30 20 CHED CC(C)OCCON=C1CC[C@H]2CCCC[C@H]2C1 812240682 XOJOYSNFZRERSP-KGLIPLIRSA-N 253.386 3.774 30 20 CHED CCC(=NNCc1ccc(Cl)cc1)c1ccc(F)cn1 814875308 BPGXEYLUWGCYTJ-UHFFFAOYSA-N 291.757 3.778 30 20 CHED CC(C)C#CC(=O)Nc1ccc2oc(C(C)C)nc2c1 821709308 MDZMDIGEOBAAGG-UHFFFAOYSA-N 270.332 3.549 30 20 CHED C=CCC(C)(C)C(=O)OCC[C@@]1(C)C[C@@]1(F)Cl 822041872 RSVIEFYYXKNMKI-STQMWFEESA-N 262.752 3.837 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(OC=C)cc1 823746615 PRGCNFWJMPVXGJ-UHFFFAOYSA-N 292.404 3.640 30 20 CHED O=C(C#Cc1cccs1)N1CCC[C@@H]1c1ccsc1 825104006 KFECSKURGVDJJM-CQSZACIVSA-N 287.409 3.525 30 20 CHED C=CCCCNc1ccc(OCC(=O)O)c2ccccc12 825671245 INPOUSWFPAFQKJ-UHFFFAOYSA-N 285.343 3.681 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(-c2ccncc2)cs1 828751358 VZMINKJMBXGEFD-NSHDSACASA-N 287.388 3.746 30 20 CHED C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1cccc(C#N)c1 834612468 TYJMRSKRHUPJDN-MLGOLLRUSA-N 278.355 3.602 30 20 CHED C#Cc1cccc(CN[C@@H](CC)c2ccc(OC)cc2)c1 834904192 WCZWKXAAMPWVJH-IBGZPJMESA-N 279.383 3.917 30 20 CHED C#CCCCCCC=NNc1ccc([N+](=O)[O-])cc1 834914155 LKIRNMHXMRLVIX-UHFFFAOYSA-N 259.309 3.576 30 20 CHED CC(=NNc1nc(-c2ccncc2)no1)[C@@H]1CCCC[C@@H]1C 834951628 BJPHWDWZDPJQCL-SMDDNHRTSA-N 299.378 3.746 30 20 CHED CSCC1CCC(=NNc2cc(Cl)nc(C)n2)CC1 834961904 KWVQZSVQBLNYMS-UHFFFAOYSA-N 298.843 3.760 30 20 CHED C[C@@H](NN=Cc1cc(Cl)ccc1Cl)C(F)(F)F 834999652 GCTOWABEENRKGH-ZCFIWIBFSA-N 285.096 3.868 30 20 CHED COC(=O)c1ccc(NN=CC2CCCCC2)cc1F 835020727 OLXBSUGRRDYJPS-UHFFFAOYSA-N 278.327 3.590 30 20 CHED C[C@H](OC(=O)CC1CC(F)(F)C1)c1ccc(C#N)cc1 835201322 BUJVNRJJHYWOQR-JTQLQIEISA-N 279.286 3.598 30 20 CHED CC(C)(C)C#CC(=O)Nc1cc(Br)ccc1F 837355728 HOFYZGKQXISQSY-UHFFFAOYSA-N 298.155 3.576 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C(C)(C)C1CCC1 839320978 FPJXSULZVTZPDE-LBPRGKRZSA-N 286.375 3.742 30 20 CHED C=C(CC)CNC(=O)c1cc2cccc(C)c2nc1Cl 839431858 JZELYYZOTJZEAH-UHFFFAOYSA-N 288.778 3.893 30 20 CHED C=C(Cl)CN1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 839669235 DRFAZUSMZTXRQH-ZDUSSCGKSA-N 287.831 3.573 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@@H](C)C(=O)c1cccc(F)c1 840478192 RLFGUYMRIVBMHY-MEDUHNTESA-N 278.323 3.542 30 20 CHED Cc1cccc2c1C(=NOCCC(F)(F)F)CC2 841634908 XTSLJBBNCJENAE-UHFFFAOYSA-N 257.255 3.614 30 20 CHED CC(C)[C@@H]1CCc2c(sc(NC(=O)C(F)F)c2C#N)C1 844551613 NXTPZXYKRBLFPT-MRVPVSSYSA-N 298.358 3.584 30 20 CHED C=CCC(C)(C)C(=O)O[C@H]1CCCc2cccnc21 845645125 MMBRSKGZPVPECE-ZDUSSCGKSA-N 259.349 3.605 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C(C)=C/c1cccc(Cl)c1 847170578 ZYNUSYNSEOWJML-BMGYJQCNSA-N 276.767 3.504 30 20 CHED CC(C)c1ccccc1C=NNCCC(F)(F)F 848409859 DQDUBCLVSJHEGF-UHFFFAOYSA-N 258.287 3.686 30 20 CHED C=CCC1(CNC(=N)Nc2ccc(OC)cc2)CCCC1 849038804 VPXJQOIMOTUFSH-UHFFFAOYSA-N 287.407 3.768 30 20 CHED C=C(Cl)CNc1ccc(Cl)cc1C(=O)N1CCCC1 849313564 DLSGPKPTYUUWJY-UHFFFAOYSA-N 299.201 3.740 30 20 CHED CC1=C(C)C[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)CC1 851205016 GBWVZJYGJLQVMU-KBPBESRZSA-N 263.381 3.994 30 20 CHED C=CC(C)(C)CCOC(=O)C(C)(C)c1cccnc1 851299682 VBEPMZIIEWIXMD-UHFFFAOYSA-N 261.365 3.505 30 20 CHED COC(=O)c1oc(/C=C\C(=O)C2CCCCC2)cc1C 853002022 FDHLRDRNTVUMGO-HJWRWDBZSA-N 276.332 3.537 30 20 CHED C[C@@H]1CCCCN1N=Cc1cccc(-c2cccnc2)c1 853380431 UDBFCXNAAMQUII-OAHLLOKOSA-N 279.387 3.957 30 20 CHED C#CCCCOc1cccnc1NCC1(SC)CCC1 853552021 RVJZRGZWFGMTOV-UHFFFAOYSA-N 290.432 3.571 30 20 CHED Cc1cnc(CSCCc2ccc(C#N)cc2)s1 853770191 FMLHDGIFSIPPNO-UHFFFAOYSA-N 274.414 3.799 30 20 CHED Fc1ccc(CON=Cc2c(F)cccc2F)cc1 853913091 CPMSWEMJWBUCFW-UHFFFAOYSA-N 265.234 3.655 30 20 CHED C#CCCCCC(=O)N(C)c1ccccc1Br 857678239 AXDLOIPLPMUOLE-UHFFFAOYSA-N 294.192 3.606 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H](CSC)C1 858113888 ONAPCXKAQLGPPO-CQSZACIVSA-N 286.485 3.741 30 20 CHED N#Cc1cc(F)cc(NCc2cc(Cl)c(F)cc2O)c1 864044075 RLUJREXHYGAGMV-UHFFFAOYSA-N 294.688 3.808 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(OCC)cc1F 880303754 RHVLMBJNUFWCEU-UHFFFAOYSA-N 265.328 3.765 30 20 CHED C=CCC[C@@H](CC)Nc1cccc([C@]2(C)COC(=O)N2)c1 883327888 IAPBJAATNNXJLA-PBHICJAKSA-N 288.391 3.798 30 20 CHED C=CC(C)(C)CC(=O)OCC(=O)C1CCC(F)(F)CC1 884650022 VZULYCLMQFNYRW-UHFFFAOYSA-N 288.334 3.527 30 20 CHED C=C1CCC(C(=O)N(CC)Cc2cccs2)CC1 887751599 IUDYJVUTFVKJEY-UHFFFAOYSA-N 263.406 3.843 30 20 CHED C=C1CCC(C(=O)Nc2cccc(-n3ccnc3)c2)CC1 888267125 QHJJOQVJCCPIGE-UHFFFAOYSA-N 281.359 3.557 30 20 CHED C=C1CCC(C(=O)N[C@@H](c2ncccc2C)C(C)C)CC1 889000522 BVTFCUVYYVJRTO-MRXNPFEDSA-N 286.419 3.950 30 20 CHED C=C1CCC(C(=O)Oc2ccc(F)c(C(C)=O)c2)CC1 893308522 JVEBMTMKZVYUIW-UHFFFAOYSA-N 276.307 3.680 30 20 CHED C=CCC1(O)CCN(Cc2ccc(Cl)c(C)c2)CC1 895835706 MFHHRTTXMPTJBZ-UHFFFAOYSA-N 279.811 3.551 30 20 CHED CCCc1ccc(C(=O)/C=C\c2nc(C)c(C)[nH]2)cc1 901438375 HQDZDTYDODLEAC-KHPPLWFESA-N 268.360 3.875 30 20 CHED Cn1ccc(C(=O)/C=C/c2ccccc2OC2CCCC2)n1 901543509 OMXJDMOXUGJJFA-ZHACJKMWSA-N 296.370 3.638 30 20 CHED CC[C@@H](NCC1CC(F)(F)C1)c1cccc(C#N)c1 903000513 WFVHLPHKFRMEFY-CQSZACIVSA-N 264.319 3.644 30 20 CHED C=CCS(=O)(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 905246069 OOZXDRIDGJRBMJ-QMMMGPOBSA-N 279.188 3.655 30 20 CHED Oc1ccccc1/C=N\Cc1ccc(Cl)s1 914558328 TUYBXHVPLCSBIA-AUWJEWJLSA-N 251.738 3.726 30 20 CHED C[C@@H]1CCCCC1=NNCc1ccc(F)c(F)c1 915976130 ZROSETDJNHMQSR-SNVBAGLBSA-N 252.308 3.621 30 20 CHED CC(=NNC(=S)NC(C)(C)C)c1ccc(C(C)C)cc1 916343590 JFJKCMAKVUUUOO-UHFFFAOYSA-N 291.464 3.797 30 20 CHED C=C(C)COC(=O)c1ccc(COc2ccccc2)cc1 916603606 VZGLGYHQXINONP-UHFFFAOYSA-N 282.339 3.999 30 20 CHED O=[N+]([O-])c1cccc(C=NNc2cccc3c2CCCC3)c1 917553520 YIRGQVXDQRCBMD-UHFFFAOYSA-N 295.342 3.920 30 20 CHED C=CCN(C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(C)C 918069601 QHHJUBYJRMDQLP-JKIFEVAISA-N 278.440 3.807 30 20 CHED C=CC[C@H](NC(=O)N1[C@@H](C)CCC1(C)C)c1ccncc1 919004827 VZYDYNQYZZLHIG-ZFWWWQNUSA-N 287.407 3.671 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2cccc(C)c2)c1C 920927785 OOGWFHFRBQNBMM-KTKRTIGZSA-N 268.360 3.724 30 20 CHED C/C(=C\C(=O)Nc1ccc(CC#N)cc1)c1ccc(F)cc1 921275917 JPWZGTOMYFVYFX-OUKQBFOZSA-N 294.329 3.934 30 20 CHED COc1ccc(C)cc1[C@H](C)N[C@@H](C)CC(C)(C)C#N 924583115 WURMLCWKJJHKBK-KBPBESRZSA-N 274.408 3.983 30 20 CHED Cc1ccc([C@H](CN[C@@H](C)CC(C)(C)C#N)N(C)C)cc1 924850466 MSAXRSXHQWPOSG-RDJZCZTQSA-N 287.451 3.516 30 20 CHED C[C@H](CC(C)(C)C#N)NCC1(c2ccc(F)cc2F)CC1 925649538 HDNHDQKQSXNWRE-GFCCVEGCSA-N 292.373 3.914 30 20 CHED COC[C@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 926438176 HYTNUPXNCUZRLC-WFASDCNBSA-N 294.826 3.945 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1C 929907914 LCCMKMMOYHOBCZ-CZUORRHYSA-N 270.376 3.517 30 20 CHED N#Cc1ccsc1NC(=O)N1CCCC12CCCCC2 931842977 RBEIPMPXHPIDQR-UHFFFAOYSA-N 289.404 3.950 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)Nc1ccc(OCC#N)cc1 1119234823 GDAOKJOSZHNSRP-KDOFPFPSSA-N 296.370 3.777 30 20 CHED C=CC(C)(C)CC(=O)OCc1ccc(C(C)=O)cc1 1119418714 UGUMGHYZXRYCHW-UHFFFAOYSA-N 260.333 3.535 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1c1cccc(OC)c1 1120535747 HEVMIFWKXMCAOI-MRXNPFEDSA-N 273.376 3.715 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cnc3ccsc3c2)c1 1129808934 HRIXOGODVKJPJL-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)Nc2cc(F)cc(C#N)c2)C1 1208346036 KJHWUKDMLBMUHZ-NWDGAFQWSA-N 289.354 3.645 30 20 CHED CC(C)CCN(CCC(C)C)Cc1cccc(C#N)n1 1232926292 HLJAJWITTKGSMQ-UHFFFAOYSA-N 273.424 3.847 30 20 CHED N#Cc1ccc(OCc2nnc(CC3CCCCC3)o2)cc1 1257030770 AXPVIRZTGYBKFL-UHFFFAOYSA-N 297.358 3.643 30 20 CHED N#Cc1ccc(Cl)c(-c2nnc(CC3CCCC3)o2)c1 1258695530 PYTDOONTXIVTQH-UHFFFAOYSA-N 287.750 3.994 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1ncccn1)c1ccc(F)c(F)c1 1262262421 NLIPJSYITKSBMM-IAQYHMDHSA-N 289.329 3.723 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@@H]2CSc3ccccc32)c1 1275425026 DHAKXIYFFBKSMS-GFCCVEGCSA-N 298.342 3.525 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 1276114816 KQWMWVWYKDJFNE-AEGPPILISA-N 284.403 3.811 30 20 CHED Cc1nnc(NCCC2CCC(F)(F)CC2)c(C#N)c1C 1307230014 PILWVNXHDSTSTD-UHFFFAOYSA-N 294.349 3.593 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CC1Cc2ccccc2C1 1308829590 JTFXODBPQFYKEB-OAHLLOKOSA-N 290.410 3.966 30 20 CHED COc1cc(O)ccc1/C=C1\Cc2ccc(C)cc2C1=O 1318350378 DHPZGUAXIJXYFH-NTEUORMPSA-N 280.323 3.532 30 20 CHED COc1cccc(NN=Cc2nc(-c3ccccc3)c[nH]2)c1 1318658997 CCJRJUJLTXEWEF-UHFFFAOYSA-N 292.342 3.531 30 20 CHED Fc1ccc(CNN=Cc2cccc(Cl)c2F)cc1 1319180467 RFINRXFDGNVKOY-UHFFFAOYSA-N 280.705 3.742 30 20 CHED Fc1ccc(CNN=Cc2ccc(F)c(Cl)c2)cc1 1319705958 WGKZNEWWPFMQRV-UHFFFAOYSA-N 280.705 3.742 30 20 CHED CCN(CC)C1CCN(CCC2(C#N)CCCCC2)CC1 1325178916 SMJAFVYYBIGVKW-UHFFFAOYSA-N 291.483 3.657 30 20 CHED CCCC(C)(C)c1nnc(COc2ccccc2C#N)o1 1326971744 ZYFGAAHNZDMFNR-UHFFFAOYSA-N 285.347 3.598 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1c1nnc(-c2ccc(C#N)cc2)o1 1326987489 NHRBQSFZVRHJBA-CZUORRHYSA-N 267.332 3.758 30 20 CHED C=CCCOCCCCc1nnc(-c2ccc(C#N)cc2)o1 1330046048 IDJHPKHRSYDWTI-UHFFFAOYSA-N 297.358 3.524 30 20 CHED CC(C)n1ncc2c1[C@H](N[C@H](C)CC(C)(C)C#N)CCC2 1332880205 FMXAQLIEEPOADY-UKRRQHHQSA-N 288.439 3.759 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1F 1339464061 BRZIYKHRJAMKIG-SNVBAGLBSA-N 286.281 3.579 30 20 CHED Cc1cccc(C2(C(=O)O[C@@H]3CC[C@H](C#N)C3)CCC2)c1 1344605281 PYCPMMHRYITBOZ-GOEBONIOSA-N 283.371 3.652 30 20 CHED C[C@@]1(C(=O)O[C@H](CC#N)c2ccco2)CCc2ccccc21 1345546824 GNUZRJCETSZIGX-SJLPKXTDSA-N 295.338 3.682 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)CCC1CCC1 1351158516 WLCXIPKRLCKHGE-UHFFFAOYSA-N 273.380 3.634 30 20 CHED Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)C)cc1C#N 1351405321 TVGHADDOIUEUBM-GOSISDBHSA-N 292.382 3.994 30 20 CHED Cc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)cc(C)n1 1355284396 LBZOJMFWBDKULB-UHFFFAOYSA-N 299.761 3.500 30 20 CHED CN(c1ncc(C#N)cc1F)[C@H]1CCC[C@@H]1c1ccccc1 1458428826 VDBMMALDKPMRDQ-WBVHZDCISA-N 295.361 3.865 30 20 CHED CCC1(CC)[C@@H](N(C)c2cccc(F)c2C#N)C[C@H]1OC 1472735639 HHKBUGUTZLAZSS-JKSUJKDBSA-N 290.382 3.727 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)Cc1c[nH]c2cnccc12 1515515537 WYJWGQXULLJTRO-GUYCJALGSA-N 298.386 3.784 30 20 CHED N#C[C@@H](C(=O)/C=C\C1CCCCC1)c1cccc(F)n1 1524705932 VNFXGNGHDITESO-ASCRHOAZSA-N 272.323 3.533 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1ccc(OCC)cc1 1527410691 TXUJWQXLLCYVST-INIZCTEOSA-N 273.376 3.715 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(C#N)ccc1F 1535455773 UIMGUBSUCWNBPB-WCQYABFASA-N 274.339 3.852 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F 1542583541 TXWFCDFDWOSESV-FZMZJTMJSA-N 275.323 3.567 30 20 CHED CC(C)(CNC(=O)[C@H](CC#N)c1ccccc1)C1CCC1 1543566546 JMHYDAHCJBZBCQ-MRXNPFEDSA-N 284.403 3.626 30 20 CHED Cc1cc(Sc2ncnc3c2CCCC3)ccc1C#N 1559218630 JIOBCQYIEBUXHB-UHFFFAOYSA-N 281.384 3.687 30 20 CHED Cc1c(Cl)cnc(N[C@H](C)c2ncccc2F)c1C#N 1559262041 XVESNFMDKCTCAH-SECBINFHSA-N 290.729 3.622 30 20 CHED C=CCC[C@@H]1CCCN1Cc1ccc(C)c(C(=O)O)c1 1588782627 XAGZTFIRDBQHIS-OAHLLOKOSA-N 273.376 3.624 30 20 CHED O=C(O)c1csc(C(=O)/C=C/c2ccc(Cl)cc2)c1 1608991366 RZWZTXYGYZBADR-ZZXKWVIFSA-N 292.743 3.996 30 20 CHED C=CCC1(C(=O)OCc2cc(C(=O)O)sc2C)CCC1 1609320575 RZEKOAAAIIYLCQ-UHFFFAOYSA-N 294.372 3.544 30 20 CHED CC(C)(CC=NNc1ccc(Cl)c(Cl)c1)C(=O)O 1609674062 KHNLZSVFUXELAR-UHFFFAOYSA-N 289.162 3.892 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)cc1C#N 1617557529 VLWKEBZFHQQLPX-UHFFFAOYSA-N 295.729 3.644 30 20 CHED CCCN(Cc1ccc(C)cc1)Cc1cccc(C#N)n1 1621214145 HCBKGUILYKYVMC-UHFFFAOYSA-N 279.387 3.674 30 20 CHED Cc1ccccc1NCCC(=O)Nc1cccc(CC#N)c1 1635702888 FCLONVLAYCFUAD-UHFFFAOYSA-N 293.370 3.502 30 20 CHED N#Cc1cncc(N[C@H]2CCCC[C@H]2Cc2ccccc2)n1 1655098469 DVMFCOUOQJPLSA-RDJZCZTQSA-N 292.386 3.562 30 20 CHED C=CCN(CCC)[C@@H](C(=O)O)c1cccc2ccccc12 1776179803 JWVJVFXTWIAUPS-QGZVFWFLSA-N 283.371 3.864 30 20 CHED CCc1cccc(/C=C/C(=O)c2csc(C(=O)O)c2)c1 1776974783 JYRHLVPBHJQPRP-VOTSOKGWSA-N 286.352 3.905 30 20 CHED Cc1ccc(OCCOc2ccc(C#N)cc2)c(C)c1 11896814 LSJQGQIPFRYUCJ-UHFFFAOYSA-N 267.328 3.633 30 20 CHED Cc1cccc(C)c1OCCOc1cccc(C#N)c1 11897127 WIBNYSFMQRVPIE-UHFFFAOYSA-N 267.328 3.633 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccccc2Cl)n1 22797938 LXQKMFYYPXTOGP-UHFFFAOYSA-N 271.751 3.836 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)c(F)c1 34701526 CUEIDJSPGKEABB-TWGQIWQCSA-N 281.286 3.602 30 20 CHED C[C@@H](Nc1ncnc2sccc12)c1ccc(C#N)cc1 37502101 BTWDGHJGNHTTCK-SNVBAGLBSA-N 280.356 3.736 30 20 CHED N#Cc1ccc(CNc2nc3ccccc3s2)cc1 37749665 FNWYKQUDYWWBDB-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CCN(CCOc1cccc(C#N)c1)c1cccc(C)c1 40234948 WVEODBGFHOAOAO-UHFFFAOYSA-N 280.371 3.772 30 20 CHED CC(C)c1cc(N[C@@H](C)c2ccc(C#N)cc2)ncn1 40766383 GWDPZUQRPMFASJ-LBPRGKRZSA-N 266.348 3.645 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc2cnccc12 44765965 WGSGAWNMAJCFGK-UHFFFAOYSA-N 267.332 3.503 30 20 CHED Cc1ccsc1CNc1snc(Cl)c1C#N 47405350 NQMAWURESBCFRC-UHFFFAOYSA-N 269.782 3.650 30 20 CHED N#Cc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1 47861522 DIZDKXWSKZBMIR-UHFFFAOYSA-N 285.734 3.533 30 20 CHED N#Cc1ccc(SCc2nc(-c3cccs3)no2)cc1 48512042 QWQJTSXCSQSKSO-UHFFFAOYSA-N 299.380 3.962 30 20 CHED Cc1ccccc1Sc1ccc([N+](=O)[O-])cc1C#N 48837425 XLALYLPBYOABRH-UHFFFAOYSA-N 270.313 3.926 30 20 CHED N#Cc1ccccc1Oc1nc2ccccc2s1 49224392 HGMQXRBNBJXHIV-UHFFFAOYSA-N 252.298 3.960 30 20 CHED CC(C)COc1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 49456540 HIEFIDZUWYKTHO-MRXNPFEDSA-N 294.354 3.606 30 20 CHED CCCN(CC#N)C(=O)CCc1ccc(C(C)(C)C)cc1 60556199 LPGRURDFFIVHSB-UHFFFAOYSA-N 286.419 3.679 30 20 CHED N#Cc1ccccc1NC(=O)CCc1c[nH]c2ccccc12 68233971 OQHABFWFUKOMTK-UHFFFAOYSA-N 289.338 3.611 30 20 CHED CCSc1cccc(NC(=O)C2(C#N)CCCC2)c1 71020795 HIFVVDCUVVKJHT-UHFFFAOYSA-N 274.389 3.821 30 20 CHED N#Cc1cc2ccccc2nc1NCCc1ccccc1 71385737 XMMBNHCCMAOUJR-UHFFFAOYSA-N 273.339 3.761 30 20 CHED C=C(C)CN(CC)Cc1cc(=O)oc2c(C)c(C)ccc12 78282481 SKAGXHPBIQTTQJ-UHFFFAOYSA-N 285.387 3.808 30 20 CHED C=C(C)CN(CC)C(=O)NCCCSc1ccccc1 79188582 SFHHXWRBHQOBDM-UHFFFAOYSA-N 292.448 3.776 30 20 CHED Cc1ccc(C[C@H](C)NCc2ccc(C#N)cc2F)s1 80244675 RWBPDDVKAZYSPJ-NSHDSACASA-N 288.391 3.788 30 20 CHED N#Cc1ccc(NC(=O)c2cc(Cl)cs2)cc1 82338708 FAVJBFKNRSQFCQ-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Cl)cc1Cl 86163097 ZYZNSXUIFCNYHL-QMMMGPOBSA-N 286.162 3.759 30 20 CHED COc1ccc(CN[C@H](C)c2ccccc2C)cc1C#N 87822529 CNKAXNWHBKRZNZ-CQSZACIVSA-N 280.371 3.726 30 20 CHED COc1ccc([C@H](C)NCCCC(C)(C)C#N)cc1 90340054 CVKFSILEBDKCSS-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED CCN(Cc1ccc2cc(OC)ccc2c1)C[C@@H](C)C#N 91982601 LGGVKJNEJPFHON-AWEZNQCLSA-N 282.387 3.830 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)F 92825559 NVGXIIBVOAGYIU-UHFFFAOYSA-N 275.776 3.664 30 20 CHED CN(CCc1cccs1)c1nc2c(cc1C#N)CCCC2 93290920 SFWOVMIEKDLTNT-UHFFFAOYSA-N 297.427 3.572 30 20 CHED C=C(C)CN1CCC(n2c(CC)nc3ccccc32)CC1 93299425 PHHZYIOONYPCLC-UHFFFAOYSA-N 283.419 3.812 30 20 CHED C=CCCC(=O)N(Cc1ccc(Cl)cc1)C1CC1 102226216 QVVKQAVUZQSJLB-UHFFFAOYSA-N 263.768 3.797 30 20 CHED C=CC1CCN(C(=O)Nc2ccccc2SC)CC1 111705703 RDDJHKQUORTILX-UHFFFAOYSA-N 276.405 3.838 30 20 CHED C=CC[C@@H](C)NCc1c(C)nn(-c2ccccc2)c1C 116926495 UFKGQPDACQQUCB-CYBMUJFWSA-N 269.392 3.543 30 20 CHED C#CCCCCC(=O)NCCc1ccc(C(F)(F)F)cc1 119484931 VRDSTKHSGIRLLE-UHFFFAOYSA-N 297.320 3.558 30 20 CHED C=CCC[C@@H](NCc1cccc(N2CCCC2=O)c1)C1CC1 120161838 ZNPIYKVZEWAQKI-GOSISDBHSA-N 298.430 3.648 30 20 CHED Oc1ccc(/C=N/Cc2cccc3ccccc23)c(O)c1O 121471596 REFPHOPTRSWOCA-YBFXNURJSA-N 293.322 3.576 30 20 CHED COc1ccc(OCC2(CC#N)CC2)c(Br)c1 123554224 HHOKKWFZAUQZJC-UHFFFAOYSA-N 296.164 3.530 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)c2ccc(C)cc2)c1 126894472 AVCDLKVJQYVKSA-VBEHJTROSA-N 269.344 3.889 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1ccccc1C(F)(F)F 128541932 RMVZFZWZNPGJKF-VHSXEESVSA-N 286.297 3.640 30 20 CHED C=C[C@@H](C)NCc1cc(Cl)ccc1Br 130466141 QNIZCHVQCSAPRB-MRVPVSSYSA-N 274.589 3.767 30 20 CHED CCOC(=O)c1sc(/C=C/c2ccc(C#N)cc2)nc1C 131181160 DDZLOJVKZBMEFN-CMDGGOBGSA-N 298.367 3.670 30 20 CHED N#CC1(C(=O)N2CCC(CCc3ccccc3)CC2)CCC1 134535118 HNCPKVQYDHJNPR-UHFFFAOYSA-N 296.414 3.552 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ncc(-c2ccccc2)o1 134937397 QWVXGTKTGBSZHE-KRWDZBQOSA-N 284.359 3.560 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 145714054 XVYXUSIAKPLCKF-HOTGVXAUSA-N 296.757 3.954 30 20 CHED C=CCC(CC=C)C(=O)OCc1csc(CC)n1 151490019 BXBWQBWAIVZNGI-UHFFFAOYSA-N 265.378 3.517 30 20 CHED CN(C)c1nc2cc(NCC(C)(C)CCC#N)ccc2o1 151811079 KPGTZYSFJGTKQZ-UHFFFAOYSA-N 286.379 3.636 30 20 CHED CCC[C@H](NC(=O)CC#N)c1cccc(C(F)(F)F)c1 153730716 LTUJILFSPHJAJR-LBPRGKRZSA-N 284.281 3.576 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@@H]1C 154177746 QLGBGYBUORSNFU-UONOGXRCSA-N 252.402 3.563 30 20 CHED CC#CCCSc1nnc(SCCC#CC)s1 155055583 QFMZMUCHHPEIQD-UHFFFAOYSA-N 282.459 3.549 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)cc1 155182533 DHHGVHXNBPWIGU-QGZVFWFLSA-N 293.370 3.562 30 20 CHED N#Cc1ccc(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)nc1 156679972 SLKUAHQARJIDOQ-GWCFXTLKSA-N 287.725 3.714 30 20 CHED C=CCNC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 157226542 SFNYNMILRGLETJ-CQSZACIVSA-N 287.407 3.681 30 20 CHED C=C(C)CNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 161259626 RUYDYVYZNUXJLZ-ZDUSSCGKSA-N 283.371 3.644 30 20 CHED C=CCN(C)C(=O)CCc1ccc(Cl)c(Cl)c1 161850904 RKOLMANEJAQNKQ-UHFFFAOYSA-N 272.175 3.570 30 20 CHED Cc1ccc(C(=O)N(CC#N)c2ccccc2)cc1Cl 171164684 IVUBOEXBTAZOJP-UHFFFAOYSA-N 284.746 3.819 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cccnc1Cl 171350831 PAGXGHNHESVRJS-VOTSOKGWSA-N 287.746 3.948 30 20 CHED CCN(C(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 174069929 ICFXDVILBDWLFF-UHFFFAOYSA-N 284.746 3.878 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)N(C)Cc1cccc(C#N)c1 175831043 NOVOBXBAWJZVQB-ZIAGYGMSSA-N 299.418 3.524 30 20 CHED C=CCCCC(=O)Nc1cccc(Oc2cccnn2)c1 175923002 CHYVVEZMVJDUDJ-UHFFFAOYSA-N 283.331 3.564 30 20 CHED C=CCC(CC=C)C(=O)Oc1cccc2ncccc12 177388861 ZQYOXKRKVVHRFH-UHFFFAOYSA-N 267.328 3.909 30 20 CHED CC(C)(C#N)CCC[S@](=O)C/C=C/c1ccccc1 177922951 UUGAMQIPSXLWSO-ZAOIQFLMSA-N 275.417 3.778 30 20 CHED COc1c(C)ccc(NCc2cc(C#N)ccc2F)c1C 178262840 GQYBIOMOHUNFPA-UHFFFAOYSA-N 284.334 3.935 30 20 CHED Cc1ccc2cccc(C(=O)Nc3ccccc3C#N)c2n1 180111041 UWZAYMHCKXMYQB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F 180150598 RDCNVIGZJOUOHD-UWVGGRQHSA-N 296.317 3.780 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H](SC)C1 181117441 ZIUSPCIKMPLPJP-UONOGXRCSA-N 284.469 3.658 30 20 CHED CCCN(CC#N)CCCc1ccccc1Br 181893606 HEJHXOQFSTXKFD-UHFFFAOYSA-N 295.224 3.617 30 20 CHED CC[C@@H](NC[C@H](C#N)CCC#N)c1cccc(Cl)c1 182586163 ICBATIDTARCRHM-SWLSCSKDSA-N 275.783 3.824 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 183722501 CWLHLLLVZYCZMM-HOTGVXAUSA-N 296.455 3.578 30 20 CHED CC#CCCCC(=O)Nc1ccc(N(CC)CC)cc1 184863465 HHRWWKXPNLGMAN-UHFFFAOYSA-N 272.392 3.665 30 20 CHED C=CC[C@H](C(=O)N(C)Cc1ccco1)c1ccccc1 186176498 ZRIARJBDBKWVSB-INIZCTEOSA-N 269.344 3.598 30 20 CHED C=CCC[C@@H](O)CNC(C)(C)c1cccc(Cl)c1F 186889160 KFRDLDWDVSGJQZ-LLVKDONJSA-N 285.790 3.631 30 20 CHED CCOc1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1 187222584 MLMKPOUWUBJEMF-RIYZIHGNSA-N 280.323 3.613 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)CC1CC1)c1ccccc1 187984770 WSROMMGTDVUAAE-XJKSGUPXSA-N 257.377 3.651 30 20 CHED C[C@@H](Nc1ccc(F)cc1OCC#N)c1cccc(C#N)c1 188190030 XLMBILYDKDCQLX-GFCCVEGCSA-N 295.317 3.773 30 20 CHED C[C@H](CCC#N)Sc1n[nH]c(-c2cc(F)cc(F)c2)n1 188318478 HKGLECYPNDKWRZ-MRVPVSSYSA-N 294.330 3.534 30 20 CHED CCS[C@H]1CCCC[C@H]1NCCCC(C)(C)C#N 189494159 UJUJOCBTTUMOPW-KGLIPLIRSA-N 268.470 3.970 30 20 CHED C=CC[C@@H](C(=O)N1CCSC[C@@H](C)C1)c1ccccc1 191283010 ARWHYGNKWRVPCR-GOEBONIOSA-N 289.444 3.558 30 20 CHED Cc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1 207934162 GREZWSUITANWEN-GDNBJRDFSA-N 264.324 3.913 30 20 CHED CC(C)[C@@H](Nc1ccc(C#N)cn1)c1nc2ccccc2[nH]1 210654689 LNJTZHUZVPHIFM-MRXNPFEDSA-N 291.358 3.639 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cccc(O)c2)c1 213711326 YVZBSHFYHMIEMH-HJWRWDBZSA-N 252.313 3.905 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[C@@H](O)C1 229730839 XHKJHLGOPQCPJY-ZWNOBZJWSA-N 298.308 3.540 30 20 CHED C#CCSCCN[C@H]1CCCc2c1[nH]c1ccccc21 231934131 YUOYSHDIEJBNRU-INIZCTEOSA-N 284.428 3.501 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)c(OC)c1 232201859 YPLSRGVVEANQDU-UHFFFAOYSA-N 280.755 3.617 30 20 CHED C=CCNC(=O)C1(c2cccc(Cl)c2)CCCCC1 247964311 AZGXGVMJIHOOCC-UHFFFAOYSA-N 277.795 3.844 30 20 CHED CC(C)(CCC#N)CN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 253028354 PDRODDFPDWEVFN-OLMNGRFOSA-N 260.425 3.731 30 20 CHED O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccco1 254683421 SSWGBWNICNVLGN-UHFFFAOYSA-N 299.208 3.653 30 20 CHED COCCOc1ccccc1/C=C\C(=O)c1cccc(C)c1 254970363 JSBZKCUPCKISKL-KHPPLWFESA-N 296.366 3.916 30 20 CHED CC(C)C[C@@H](/N=C\c1ccccc1O)C(=O)OC(C)(C)C 255110654 LSSMAOGBCAJAHX-JVVDOCDTSA-N 291.391 3.568 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1O 255831723 PFXKYFBFQFDTEX-KXFIGUGUSA-N 290.265 3.575 30 20 CHED CC(C)C[C@@H](C)CC(=O)N(C)c1ccc(C#N)cc1 269676153 MDPCGSDMUKGSFO-CYBMUJFWSA-N 258.365 3.593 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2c[nH]c3cc(F)ccc23)C1 274173360 CFCBFDRIPNIMBS-IUODEOHRSA-N 285.366 3.521 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccsc1Cl)OCC 275606623 HOYQDNPYULNKSF-SNVBAGLBSA-N 273.785 3.711 30 20 CHED Cc1ccc(-c2nc(CN[C@H]3CCC[C@H](C#N)C3)co2)cc1 278904562 ZSGOMAVHZFUOPB-HOCLYGCPSA-N 295.386 3.822 30 20 CHED CO[C@]1(C)CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 280635093 XROUMRRKCICKIG-WMLDXEAASA-N 272.392 3.510 30 20 CHED C=CC[C@H](C)N[C@H]1CCC[C@H](c2ncccc2C)C1 281156260 BDUDPPBKNOEIKF-JYJNAYRXSA-N 258.409 3.970 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCC[C@@H]1c1ccccc1 281374033 UAPSIHSKZOIXSG-QGZVFWFLSA-N 294.354 3.827 30 20 CHED C=CCN(CCCC1(C#N)CCOCC1)Cc1ccccc1 282104872 WHPSYMUOUGDIOB-UHFFFAOYSA-N 298.430 3.775 30 20 CHED CN(Cc1cccc(C#N)c1)C1CCC(F)(F)CC1 286688365 CVTPKQZKQUMNFC-UHFFFAOYSA-N 264.319 3.568 30 20 CHED C=CCC[C@H](NC[C@@H]1CCOC[C@@H]1C)c1ccco1 287723200 YBMVIFMQOMZWIY-KKUMJFAQSA-N 263.381 3.549 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2coc3ccccc23)no1 289114730 PVMVNLQPNWESKR-IUODEOHRSA-N 296.326 3.931 30 20 CHED C=CCC(C)(C)C(=O)OCc1cccc(C(C)=O)c1 292359120 ZNNODOFKJZLQQO-UHFFFAOYSA-N 260.333 3.535 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1oc(CC)nc1C 293742308 NPFQQTGMXLMIHI-UHFFFAOYSA-N 290.407 3.754 30 20 CHED CCCc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)no1 294564126 ZMHRFUHKAYGVFM-UHFFFAOYSA-N 297.358 3.681 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1c1ccc(C#N)nc1 294965852 NUPZULPFAMUZTP-HBNTYKKESA-N 283.297 3.509 30 20 CHED C#CCO[C@@H](C)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C 295036310 ABFSHOAGQDJTDE-AWEZNQCLSA-N 297.354 3.540 30 20 CHED CCC(=O)c1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 295284574 JCTMVVAYZKWFBX-GOSISDBHSA-N 296.370 3.692 30 20 CHED C=CCCO[C@H](C)C(=O)N(C1CC1)[C@@H](C)c1ccccc1 299332700 ROTTUAMKLVUXIC-LSDHHAIUSA-N 287.403 3.720 30 20 CHED CC(C)c1cnc(Sc2cccc(C#N)n2)n1C1CC1 301819032 FTXZBWJBQRWLKP-UHFFFAOYSA-N 284.388 3.759 30 20 CHED C[C@@H](CCC1CCCCC1)Nc1ccc(C#N)nn1 301952788 CJRLDSBREKSJFH-LBPRGKRZSA-N 258.369 3.509 30 20 CHED C=C(Cl)CN(CC(C)C)C[C@H](O)c1ccc(F)cc1 303869036 HQBKULNHEJOADL-HNNXBMFYSA-N 285.790 3.570 30 20 CHED COCc1cccc(CNc2cccc(CC#N)c2)c1 313427945 NSGHNBGITBAWKY-UHFFFAOYSA-N 266.344 3.511 30 20 CHED Cc1csc(C2(/N=C(/O)[C@@H]3O[C@H](C)C[C@@H]3C)CCC2)n1 328657439 OZXOAERDUIZJKI-MVWJERBFSA-N 294.420 3.601 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2nc3c(s2)CCCC3)CCC1=O 328908701 DDQBAZXJRNKJIZ-VHSXEESVSA-N 292.404 3.615 30 20 CHED OC(C[C@@H]1CCCC(O)=N1)=Nc1nccc2sccc12 329680530 XWHJESRWUDKMGA-VIFPVBQESA-N 289.360 3.783 30 20 CHED Cc1c(C)c(C)c(C/N=C(/O)c2cncnc2)c(C)c1C 330849433 DJNDUANCKQUYRJ-UHFFFAOYSA-N 283.375 3.524 30 20 CHED C[C@@H]1Cc2ccccc2N(C(=O)c2cccc(CC#N)c2)C1 336134228 QOFLIWJKNGKVFC-CQSZACIVSA-N 290.366 3.592 30 20 CHED Cc1c(Cl)cccc1C(=O)N(C1CC1)C1(C#N)CCC1 336164615 KCACFJKRWASDDM-UHFFFAOYSA-N 288.778 3.699 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCOC3(CCCCC3)C2)CC1 336215852 ONIVUELKYQBCBO-AQFXKWCLSA-N 290.451 3.930 30 20 CHED C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(C#N)c(Cl)c1 336417262 FXJBSALDLQFKPS-LLVKDONJSA-N 288.778 3.616 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCc2ccccc2[C@@H]1C 337870896 RBIJYOYZNWXBDI-AWEZNQCLSA-N 290.366 3.626 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCC=C(c3ccco3)C2)c1 343223132 IGVJKVJBLUBFRU-UHFFFAOYSA-N 292.338 3.648 30 20 CHED CO[C@@H](CNc1cc(C#N)ccc1C)c1ccccc1 344407453 JONNNYLAVRHZNP-KRWDZBQOSA-N 266.344 3.666 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C#N)c1)CCC2 344687699 AFBNVIZRZDLUOA-SFHVURJKSA-N 290.366 3.674 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c[nH]c(C(F)(F)F)c1 345491235 OZLUIUSTXVJPII-SECBINFHSA-N 274.286 3.508 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1ccc(NC(=O)C2CC2)cc1 345937793 RWMYNPWCGFLRRH-ZDUSSCGKSA-N 299.418 3.626 30 20 CHED CSc1ccccc1CC(=O)Nc1cccc(C#N)c1C 346927741 VOLIKSUYTUHCKT-UHFFFAOYSA-N 296.395 3.770 30 20 CHED FCCCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 352030641 WSJVPERQCGZDRY-UHFFFAOYSA-N 281.215 3.553 30 20 CHED COc1ccc2nc(/C=C/c3ccc(C#N)cn3)sc2c1 352335560 AEVHROXMMFBSHH-QPJJXVBHSA-N 293.351 3.742 30 20 CHED CSCc1ccc(CNCc2ccc(C#N)cc2)cc1 353096696 ZPGWRCHDGHXYAJ-UHFFFAOYSA-N 282.412 3.711 30 20 CHED C=CCN1CCC(N[C@H](CC)c2cccc(C)c2)CC1 353501514 IYXPDLMUCDKPHX-GOSISDBHSA-N 272.436 3.686 30 20 CHED CCOCc1cccc(NCc2ccc(C#N)cc2F)c1 355542424 DQFAMOZGTFYFQW-UHFFFAOYSA-N 284.334 3.846 30 20 CHED C=C1CCN(C(=O)c2ccccc2COC(C)(C)C)CC1 358409287 SJBMIYHGJKRCET-UHFFFAOYSA-N 287.403 3.794 30 20 CHED C=C(CC)CN(Cc1ccnc(OC(C)C)c1)C1CC1 358620653 ORHRDMGQDGOFEM-UHFFFAOYSA-N 274.408 3.799 30 20 CHED COCCC1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CC1 360658644 ULLIJYTYLNOPDX-GOSISDBHSA-N 298.430 3.732 30 20 CHED C[C@@H]1CCCN1c1c(C#N)cnc2ccc(Cl)cc12 361276004 UCTQPWNIGIKTRD-SNVBAGLBSA-N 271.751 3.749 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2C[C@@H](OC(C)C)C2(C)C)n1 361622393 PWGNERPVAGEJFW-LSDHHAIUSA-N 287.407 3.574 30 20 CHED Cc1csc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 370394735 MCHRDFCJCXXMCU-HZPDHXFCSA-N 297.427 3.723 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(CC#Cc2ccc(F)cc2)C1 373579141 CAOKJEHKNOWOPU-HNAYVOBHSA-N 294.373 3.655 30 20 CHED CC1(C)CN(Cc2cc(F)ccc2C#N)[C@@H]2CCC[C@H]21 378846672 STQXWGHQSFBLEA-HZPDHXFCSA-N 272.367 3.708 30 20 CHED C=CCCC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@@H]1C 410366362 GXPBGGKWWSFPKK-XHDPSFHLSA-N 263.768 3.658 30 20 CHED CC(C)Cc1c[nH]c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 411336383 IPBMKLKPHQAKCI-CYBMUJFWSA-N 295.386 3.576 30 20 CHED C=C(C)CN(C)C(=O)c1csc(C2CCCCC2)n1 412244658 PBPUDNPLQDRDJR-UHFFFAOYSA-N 278.421 3.839 30 20 CHED CC[C@H](OC1CCCC1)C(=O)N(CCC#N)CCC(C)C 413369180 YLKKKMUGMFALJM-INIZCTEOSA-N 294.439 3.513 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)c1ccccc1 413644797 XRKTWDHKFZQDIL-HZPDHXFCSA-N 272.392 3.888 30 20 CHED C=CCC[C@H](CC)Nc1cccc([C@@H]2CCC(=O)N2)c1 414313158 KDOUILVVDGKASE-HOCLYGCPSA-N 272.392 3.794 30 20 CHED C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@H]1CC[C@@H](C#N)C1 414343989 BZAQHYAJPOSPBS-IOASZLSFSA-N 299.393 3.530 30 20 CHED Cc1nc(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)ccc1C#N 416295452 TYIPKYNLRLGHSF-GDBMZVCRSA-N 299.418 3.549 30 20 CHED C=CCSCc1ccn(CCc2ccccc2)n1 419411043 PTJOWHCCRHCONH-UHFFFAOYSA-N 258.390 3.545 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(OC)cc2)no1 424222440 MTDNMCFPXDUKOS-UHFFFAOYSA-N 258.321 3.599 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2cc[nH]n2)c1 424584603 PNXUEODNIDGCGN-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnn(CCCC)c1C 424727777 AVJMEJNHADREBZ-UHFFFAOYSA-N 263.385 3.532 30 20 CHED C=CCC1(NC(=O)N[C@H](C)C(F)(F)F)CCCCC1 425685946 OOTPWTMBLCFDGG-SNVBAGLBSA-N 278.318 3.515 30 20 CHED CCC1(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC1 427757182 KRCRZPRFOCTLLB-UHFFFAOYSA-N 284.403 3.733 30 20 CHED CC1(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CC1 428797231 BKKGQLWUYSFSOZ-GFCCVEGCSA-N 296.292 3.576 30 20 CHED C=CCN(CCC#N)CCc1ccc(C(C)C)cc1 430112683 YTKBISNMGJXTAJ-UHFFFAOYSA-N 256.393 3.754 30 20 CHED Cc1nc2ccc(C(=O)Nc3cccc(C#N)c3)cc2s1 431195233 WYTGSNHMZPRSOS-UHFFFAOYSA-N 293.351 3.729 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1Cc2ccccc2S1 431874001 WQWMAVVKVAECMX-MRXNPFEDSA-N 294.379 3.522 30 20 CHED Cc1cc(-c2cccc(F)c2)nnc1N(C)CC(C)(C)C#N 432138794 YJPIMGNSLAVITR-UHFFFAOYSA-N 298.365 3.577 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(OCCC)c1 435726497 QEMVGSCYDVAOTO-FUHWJXTLSA-N 289.419 3.546 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCC[C@H]1CC 436279169 ARLWOQCAVREXDM-FPCVCCKLSA-N 251.414 3.526 30 20 CHED Cc1ccc(F)c(CN(C)c2nc3c(cc2C#N)CCC3)c1 436433849 WYIAWWHCBNXSPH-UHFFFAOYSA-N 295.361 3.526 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 437512849 JYJNLDOFYBSHAD-QBPKDAKJSA-N 293.451 3.546 30 20 CHED CC1(C)CCCCN(C(=O)NCC2CCC(C#N)CC2)C1 442719683 JKMWFGTWGLGTLD-UHFFFAOYSA-N 291.439 3.538 30 20 CHED CCN(C(=O)c1ccc(C#N)c(O)c1)c1cccc(C)c1C 443334041 LKMCYDPGEGVMSL-UHFFFAOYSA-N 294.354 3.547 30 20 CHED CC[C@H](NC[C@H]1Cc2ccccc2O1)c1ccc(C#N)cc1 447529142 KPKZJGZYWMYDMK-MSOLQXFVSA-N 292.382 3.603 30 20 CHED CCCN(CC1CCCCC1)C(=O)c1cc(C#N)[nH]c1C 448767017 HPZPKHAPCNGGCJ-UHFFFAOYSA-N 287.407 3.627 30 20 CHED C=CCC1(C(=O)NCc2nc(C)c(C)s2)CCCC1 450003273 LYHJZRDOEPELDR-UHFFFAOYSA-N 278.421 3.513 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)cc2C)CCCC1 450294534 OTKCNDVEGJGDSP-UHFFFAOYSA-N 259.349 3.776 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CCC#N)c2c1CCC2 451780969 WNMMDHJCOGDHLS-UHFFFAOYSA-N 284.403 3.544 30 20 CHED C=CC(C)(C)C(=O)NCC1(c2ccc(C)cc2C)CC1 452314969 TZSKAIASHLPUNV-UHFFFAOYSA-N 271.404 3.663 30 20 CHED C=C(C)CCc1noc([C@@H](C)OCc2ccc(F)cc2)n1 453188338 WMDUEUXGWDQLQD-GFCCVEGCSA-N 290.338 3.995 30 20 CHED C=C(C)CCN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C 453314812 IWBXMTZHNPNDKP-AWEZNQCLSA-N 284.407 3.501 30 20 CHED C=CCC1(NC(=O)Nc2ncccc2C)CCCCC1 454318258 HCRXDWLIZHWEGA-UHFFFAOYSA-N 273.380 3.791 30 20 CHED C=CCC1(CNC(=O)c2ccncc2Cl)CCCC1 456482210 DDEKCFVKBVLBNT-UHFFFAOYSA-N 278.783 3.601 30 20 CHED CCC[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccccn1 456751588 NVXFUGNFKJNSMF-INIZCTEOSA-N 293.370 3.670 30 20 CHED Cc1ccc([C@@H](NCC(C)(C)CC#N)C2CC2)cc1 459735634 TZBVHQLEMWLSMM-MRXNPFEDSA-N 256.393 3.976 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)C1(C)C 463487470 WKDSFVMHGUHJJV-STQMWFEESA-N 293.798 3.611 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2ccc(C#N)cc2)C1(C)C 463497713 VYMMPBMKMFDRPJ-GJZGRUSLSA-N 258.365 3.562 30 20 CHED CCCCCN(C(=O)CCCC#N)[C@H](C)CCC 463577641 YYRWOSNAEUNCHP-CQSZACIVSA-N 252.402 3.888 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2c(Cl)cccc2C1 466367178 QOCFCULGGMMHGA-CYBMUJFWSA-N 292.810 3.762 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N(CC(C)C)c1ccc(C#N)cc1 466432746 YZKLODVHABBTBT-SJLPKXTDSA-N 284.403 3.983 30 20 CHED CC#CCCCC(=O)NCc1ccc(C)cc1OCCC 466432981 CJUVUQFGJXAOBU-UHFFFAOYSA-N 287.403 3.594 30 20 CHED C=CCC(CC=C)C(=O)N(C)CCOc1ccccc1C 467742570 WXVUTGWCDRQAMW-UHFFFAOYSA-N 287.403 3.601 30 20 CHED Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1Cl 469037985 UQLHCTMSISWFMQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 469752344 MNQPCSPNGMTWNF-CFVMTHIKSA-N 293.357 3.896 30 20 CHED C=CCN(CC=C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 470175035 OMKFXBWSTYSFDJ-KAMYIIQDSA-N 272.348 3.672 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 472148536 AYSIWTYZOWLYBV-KGLIPLIRSA-N 283.371 3.688 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1ccc(C(C)C)cc1 472775171 UHNXIQDCNCXYFB-QGZVFWFLSA-N 261.409 3.569 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CC[C@H](C)C1 474126756 UJADXJYYGJPCNI-STQMWFEESA-N 275.417 3.883 30 20 CHED C=CCOCCCSCCOc1ccccc1F 479603000 RBDMAYFPCGGJBA-UHFFFAOYSA-N 270.369 3.530 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N[C@H]1CCC[C@H]1C#N 480255331 BMBXXKUYNBQNCP-JYJNAYRXSA-N 276.424 3.647 30 20 CHED CC#CCCN[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 482162462 HSMNPRMUCJFCFI-HNNXBMFYSA-N 286.419 3.530 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1cc(Cl)ccc1F 482702216 AZXWBDSTLBZGIJ-NSHDSACASA-N 299.773 3.671 30 20 CHED CC(C)=CCCNC(=O)Nc1ccc(C#N)cc1Cl 484536927 XRCSLZIKIDCPAO-UHFFFAOYSA-N 277.755 3.689 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1ccccc1Cl 485601327 RHJOPDDJUIDRKT-ZDUSSCGKSA-N 278.783 3.590 30 20 CHED C=CCCCCCN1CCC[C@@H](N2CCCC2)CC1 488444823 XCTAQHLBECXSRP-QGZVFWFLSA-N 264.457 3.683 30 20 CHED C=CCn1cccc1C(=O)Nc1cc(C)cc2cccnc12 488823133 UBTQGAGAZXWAPB-UHFFFAOYSA-N 291.354 3.783 30 20 CHED C#C[C@@H](NC(=N)Nc1ccccc1)c1ccc(Cl)cc1 491619812 BURFPCLYBIXMIA-OAHLLOKOSA-N 283.762 3.651 30 20 CHED COc1cc(C#N)ccc1COc1cccc(OC(C)C)c1 500876669 RPJFBHKNTCRNHE-UHFFFAOYSA-N 297.354 3.933 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(C(F)(F)F)ccc1Cl 509831675 GXHVGAUFZVBOAP-SECBINFHSA-N 290.716 3.950 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC(F)F)c(F)c1 512100234 RLHQNWONXQWJKE-JTQLQIEISA-N 287.281 3.512 30 20 CHED CC(C)[C@@H]1CN(C(=O)NCC(C)(C)C#N)c2ccccc21 512911143 CJNIUROQMHQOAH-AWEZNQCLSA-N 285.391 3.506 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)NCC#Cc1cccc(F)c1 513215649 ZUCVDJVQFPLOFS-MRXNPFEDSA-N 287.378 3.510 30 20 CHED CCCc1[nH]ccc1C(=O)N[C@](C)(C#N)C1CCCCC1 516043626 CGAJXNWIYOZTKO-QGZVFWFLSA-N 287.407 3.560 30 20 CHED Cc1nc(NC[C@@H]2CCOC(C)(C)C2)c(Cl)cc1C#N 518337215 IPBILQCHALGAEY-LLVKDONJSA-N 293.798 3.532 30 20 CHED C[C@@H](N(C)C(=O)C[C@H](CC#N)c1ccccc1)C(C)(C)C 527243674 JCUNLBXSLVIKKE-ZBFHGGJFSA-N 286.419 3.967 30 20 CHED C=CCN(C(=O)NCC1(Cc2ccccc2)CCC1)C1CC1 537937569 RMTIDUUMXIUTKN-UHFFFAOYSA-N 298.430 3.759 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1Cl 540469282 NYLACCUDWNHNAX-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCCCN[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 541685618 RZIDPJMFAYWPKG-ZDUSSCGKSA-N 285.391 3.916 30 20 CHED N#Cc1cccc(CN[C@H](c2cccs2)C2CC2)c1F 542511302 JCKXKWRMVDKLOJ-INIZCTEOSA-N 286.375 4.000 30 20 CHED N#Cc1cccc(N2CCc3c2cccc3C(F)(F)F)n1 546057341 ZJZGTCNRJGKUJB-UHFFFAOYSA-N 289.260 3.666 30 20 CHED C=CCCCC(=O)Nc1ccc(OC)c2cccnc12 546727548 UUXYSHFVIJBVDD-UHFFFAOYSA-N 270.332 3.538 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 548290025 WELFKAUOPIGPOM-YABSGUDNSA-N 290.794 3.766 30 20 CHED C=C(C)CCc1noc(CCc2cccc(C)c2)n1 552047882 UHWLHNFVIVOKKN-UHFFFAOYSA-N 256.349 3.672 30 20 CHED CC(C)C1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 552254744 SXJYKSGFRMZEHP-UHFFFAOYSA-N 290.794 3.720 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2ccc(C#N)cc2)n1 556360831 CMBJSCYRJPYEEQ-KTKRTIGZSA-N 279.343 3.965 30 20 CHED C=CCC1(NC(=O)c2cn(C(C)C)nc2C)CCCCC1 564466119 ZAFYGBWUZRFXLZ-UHFFFAOYSA-N 289.423 3.781 30 20 CHED C=C(C)CCc1noc([C@@H](C)c2cccc([N+](=O)[O-])c2)n1 568327076 JNMSPOKOIGBIMM-NSHDSACASA-N 287.319 3.638 30 20 CHED C=CCn1c(CC2CC2)nnc1N1C[C@H](C)c2ccccc21 568803872 ZDBSEHPLQCPRMI-ZDUSSCGKSA-N 294.402 3.672 30 20 CHED CCc1ccccc1C(=O)Nc1scc(C)c1C#N 569646728 OHENEVMZTDGODJ-UHFFFAOYSA-N 270.357 3.743 30 20 CHED N#Cc1ncccc1N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 573415216 SREKAPLAXRUZTQ-BJWYYQGGSA-N 289.382 3.868 30 20 CHED C=CCCCCN[C@@H](C)c1nc2c(s1)CCC2 578107346 PNAHIGGYWSKADT-NSHDSACASA-N 250.411 3.639 30 20 CHED C=CCNc1ccc(CC(=O)Nc2ccccc2F)cc1 582837193 LFPNAFZVJYLVTA-UHFFFAOYSA-N 284.334 3.605 30 20 CHED CC[C@H](CC#N)NCCOc1cc(Cl)cc(Cl)c1 584788840 RUKXDFZZYBUNQW-GFCCVEGCSA-N 287.190 3.654 30 20 CHED C=C[C@@H]1CCCCN1c1cc(C(F)(F)F)ccn1 584796587 CECQOWDAUPAEFC-LLVKDONJSA-N 256.271 3.645 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2cccc(C#N)n2)n1 590285324 MOHKWTFSRLIORL-AAEUAGOBSA-N 282.347 3.687 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](C1CCCCC1)C1CCC1 592697444 WUQRQZZBAVORBW-MRXNPFEDSA-N 276.424 3.791 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1SC(C)C 593527368 RHDVQFQARSPICP-NSHDSACASA-N 262.378 3.675 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 593892867 KGEFIIIFWXRCFA-SECBINFHSA-N 270.254 3.502 30 20 CHED CCc1nc(SCCCCC#N)c2ccccc2n1 594466821 NBSGECZIOBFKQZ-UHFFFAOYSA-N 271.389 3.978 30 20 CHED Cc1nc2ccc(NCC3(CC#N)CC3)cc2s1 594701691 SNXAIGDBIAZZHC-UHFFFAOYSA-N 257.362 3.711 30 20 CHED C[C@H]1Cc2ccccc2[C@H]1NCCc1ccc(C#N)cc1 595055751 IOJBUJMXHNWSBU-LIRRHRJNSA-N 276.383 3.624 30 20 CHED N#Cc1ccc(CCNC2CCC(C(F)F)CC2)cc1 595056293 ULPJNYPISQQQTN-UHFFFAOYSA-N 278.346 3.514 30 20 CHED Cc1cc(C)cc(CCNC(=O)CC2(C#N)CCCCC2)c1 597288651 JCUGJQOTLLVSGL-UHFFFAOYSA-N 298.430 3.826 30 20 CHED CCCC[C@@H](C(=O)N1CCC(C)(C#N)CC1)C(C)C 598693330 BZJGMWUCWFOUHR-CQSZACIVSA-N 264.413 3.601 30 20 CHED N#Cc1cc(Cl)ccc1SCCOCC(F)F 601912414 LERGSZXWXVFUGN-UHFFFAOYSA-N 277.723 3.585 30 20 CHED Cc1cccc([C@@H]2CCCN2CC2(CC#N)CC2)c1 602766864 GBYOZHKSFUJAQJ-INIZCTEOSA-N 254.377 3.826 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 604900798 KNNNZNNRFGERMP-WOYTXXSLSA-N 290.451 3.951 30 20 CHED C[C@@H](CN(C)Cc1ccc(C#N)cc1F)c1ccccc1 608976622 CTXAJNXQWYJTAM-AWEZNQCLSA-N 282.362 3.933 30 20 CHED C[C@H](CC(=O)N(C)c1ccc(C#N)cc1F)c1ccccc1 609216979 ZAEVCHUKIUCPFW-CYBMUJFWSA-N 296.345 3.854 30 20 CHED C=CCCCS[C@H]1CCCN(c2ccccc2)C1=O 609805106 PXCSAJJSLHRBDX-HNNXBMFYSA-N 275.417 3.881 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CC23CCC3)cc1 610739205 ZRGYIJVZNWOJJI-HOTGVXAUSA-N 296.414 3.855 30 20 CHED COc1ccccc1[C@@H]1CCCCN1c1ncccc1C#N 611204095 MUHDXNJUYUPOBR-INIZCTEOSA-N 293.370 3.693 30 20 CHED Cc1ccc(CCN[C@H]2CCCc3cc(C#N)ccc32)o1 611390793 SELVTUMGQMKLJA-SFHVURJKSA-N 280.371 3.669 30 20 CHED CC[C@H](CSC)N[C@@H]1CCCc2cc(C#N)ccc21 611395774 NKBVZOPFSDUDIS-GDBMZVCRSA-N 274.433 3.667 30 20 CHED CC[C@H](C)CCCCC(=O)Nc1cc(C)nn1CCC#N 612037856 AIAQUSSKQDJJOC-ZDUSSCGKSA-N 290.411 3.650 30 20 CHED C[C@@H](CC(=O)N1CCC[C@@](C)(C#N)C1)CC(C)(C)C 612367025 KSNMGFAHPPVPED-BBRMVZONSA-N 264.413 3.601 30 20 CHED CC(C)c1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 614800196 NUGVMLQMUKRIIZ-CQSZACIVSA-N 279.387 3.927 30 20 CHED C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@@](F)(C#N)C1 615641447 SMTWGRSQPUZZCW-NOZJJQNGSA-N 287.165 3.992 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](CC)CC(C)C)C1 617777040 HANYMORVBAIRRW-LSDHHAIUSA-N 251.414 3.873 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 617787587 RUDFMJLRFFCPAT-OAHLLOKOSA-N 269.388 3.533 30 20 CHED Cc1nc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(C)s1 618801467 BAYVXSPVMMPSQJ-QFYYESIMSA-N 297.427 3.970 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2cc(F)ccc21 618805245 NJRAFMSPRJYDEN-OALUTQOASA-N 292.357 3.962 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2ccccc2[nH]1 620864194 VLKJOMADHVTCNP-UHFFFAOYSA-N 256.349 3.643 30 20 CHED C=CC(C)(C)C(=O)Nc1ncc(Cl)cc1Cl 636573002 HJBYTSSIHMMOPF-UHFFFAOYSA-N 259.136 3.539 30 20 CHED C=CCC1(CN[C@@H]2CCO[C@@H](CC)C2)CCCC1 648788850 AYPSJTYNUGDNQQ-CABCVRRESA-N 251.414 3.670 30 20 CHED C=CCCCCN[C@@H](Cn1cccn1)c1ccccc1 649383753 MASRUFBQAYJBGE-KRWDZBQOSA-N 269.392 3.570 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cccc(C3CC3)c2)n1 654968829 NALOWVNNVGFHIN-CQSZACIVSA-N 282.368 3.819 30 20 CHED C=CCC[C@H](CCC)NCC1CCN(CC2CC2)CC1 658355044 GYZKEXLNMZPXTA-SFHVURJKSA-N 278.484 3.833 30 20 CHED C=CCC1(NC[C@H](O)[C@@H](C)c2ccccc2)CCCC1 661851381 UGLIVJCNLRZPEB-RDJZCZTQSA-N 273.420 3.630 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@H](C2CCC2)C1 665736918 DJZHNAUKPNTIIT-HIFRSBDPSA-N 264.413 3.563 30 20 CHED C=CCOCCN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 666126246 DJJJMXZCNDKQLV-GDBMZVCRSA-N 279.811 3.768 30 20 CHED C=CCN(C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 678495848 FFPNGAJYCFUTAO-IUODEOHRSA-N 273.376 3.513 30 20 CHED C=C(C)CN[C@H](COC)c1cccc(C(F)(F)F)c1 678784105 VHPRKMJCBNDBIC-CYBMUJFWSA-N 273.298 3.559 30 20 CHED C[C@@H](CC1CCCC1)Nc1ccc(OCC#N)cc1 709767373 IBSNILZDTBYHDD-ZDUSSCGKSA-N 258.365 3.970 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2cc(F)cc(C#N)c2)CC1 720269379 WFAUHIWEBJKAQC-AULYBMBSSA-N 274.339 3.852 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(SC(F)F)cc1 726559430 HACUIAGDKCKTBJ-NSHDSACASA-N 298.358 3.669 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2cnc3ccccc3n2)o1 727256191 LUSODFFDPHJGHJ-AAEUAGOBSA-N 292.342 3.792 30 20 CHED C#Cc1ccc(C(=O)N(CC)[C@H](CC)c2ccccc2)nc1 728810319 GNSBZSANWXTWNF-GOSISDBHSA-N 292.382 3.676 30 20 CHED CC(C)C[C@@H](C)OC(=O)CSCc1ccc(C#N)cc1 729079605 BHZMWXRIZOKPHE-CYBMUJFWSA-N 291.416 3.769 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ccc(C)nn1 729937841 HGUIFURMQHSTHF-UHFFFAOYSA-N 268.364 3.514 30 20 CHED C[C@H](C(=O)OCc1ccccc1C#N)c1ccccc1F 731391550 RCUGYJNULSBDFU-LBPRGKRZSA-N 283.302 3.544 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1ccc([N+](=O)[O-])cn1 731925703 RHGDKKMBSJVNRG-UHFFFAOYSA-N 298.346 3.719 30 20 CHED C#CC(C)(C)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 733885349 AOEBXBAHIRBOIK-NSHDSACASA-N 297.320 3.727 30 20 CHED COc1cccc(/C=N\Cc2coc3ccccc23)c1O 733904654 ZGEWLPFXUJAURY-NVMNQCDNSA-N 281.311 3.766 30 20 CHED C[C@H]1CCCC1=NNc1cccc(C(F)(F)F)n1 739420755 AEOVOUWGBIHQGJ-QMMMGPOBSA-N 257.259 3.688 30 20 CHED CCCCCCCN1CCOC[C@@H]1c1ccco1 740878794 YJKCRKMGYQYJFH-CQSZACIVSA-N 251.370 3.623 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H](C)c2cccc(C)c2)c1 741165065 FTZVGRHQEIOXFY-ONDHQXCVSA-N 283.371 3.932 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1Cc1ccc(OCC#N)cc1 744414252 LAFACXLUQHEBRL-CRAIPNDOSA-N 286.419 3.990 30 20 CHED CC(=NOCc1cccnc1)c1cc2c(s1)CCCC2 746586274 VFKLJDHQOZQOBV-UHFFFAOYSA-N 286.400 3.963 30 20 CHED CCCCCC(C)=NNc1ccc([N+](=O)[O-])cc1OC 746682074 PLXRPGFZMSGLFK-UHFFFAOYSA-N 279.340 3.972 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1 747061462 HLUKGTUNSCEUBV-UHFFFAOYSA-N 287.294 3.878 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2cc(C)nc(C)n2)cc1 747633853 XRQJHALSSLTHME-LBPRGKRZSA-N 298.390 3.694 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C\c2cccc(O)c2O)C1 749007565 JGARPOQEJJTIQR-NLIXSGRYSA-N 279.405 3.581 30 20 CHED C#CCN(CC)C(=O)Nc1cc(Cl)ccc1SCC 749229084 TVEZLNXNCLQZGC-UHFFFAOYSA-N 296.823 3.939 30 20 CHED CCCCCCCCOCC(=O)Nc1cncc(C)c1 750850511 VYGPUJHMJAEXOZ-UHFFFAOYSA-N 278.396 3.706 30 20 CHED COC(=O)Cc1ccccc1CSc1ccc(C#N)cc1 751776080 WUKRRULUXBPJAR-UHFFFAOYSA-N 297.379 3.566 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2cc(C#N)cs2)[C@H](C)C1 752183639 HXUZIEKDKHKJCR-FOGDFJRCSA-N 263.362 3.601 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ccnnc1C 753043882 SRKOUKQZSHQDLY-CYBMUJFWSA-N 277.412 3.511 30 20 CHED C#CC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 754047723 NJGFYYDCWCXITP-ZDUSSCGKSA-N 263.768 3.567 30 20 CHED COCC(C)(C)C=NNc1nc(-c2ccccc2)cs1 754919555 ZXVJGEJEWKJIRW-UHFFFAOYSA-N 289.404 3.880 30 20 CHED Cc1ccnc(NN=C2CCCCc3ccccc32)c1 755907109 TXAUGWZPGDCONE-UHFFFAOYSA-N 265.360 3.933 30 20 CHED C#CC[C@@H](NC(=S)Nc1ccccc1F)c1ccccc1 756859885 ZCKATJUGUKFQAH-OAHLLOKOSA-N 298.386 3.877 30 20 CHED C#CC[C@@H](NC(=O)/C=C(/C)CCC)c1ccccc1 757579830 PSFGWPZPMITGED-OMACXJQVSA-N 255.361 3.614 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 757595522 FSCCDXSCHAKECW-HOCLYGCPSA-N 281.355 3.572 30 20 CHED C#CC[C@@H](NC(=O)c1csc(C2CC2)n1)c1ccccc1 757604415 JWMCAPONYHEIBH-CQSZACIVSA-N 296.395 3.515 30 20 CHED Fc1cc(-c2cccs2)ccc1C=NNC1CC1 758133931 SYWGITDCABZODS-UHFFFAOYSA-N 260.337 3.640 30 20 CHED FC(F)CON=Cc1cc(Cl)cc(Cl)c1 758906496 IOYVGDBUVPECFR-UHFFFAOYSA-N 254.063 3.609 30 20 CHED C#CCCCC(=O)OCc1csc(-c2ccsc2)n1 759173609 KTHKLVKDQMPQGG-UHFFFAOYSA-N 291.397 3.718 30 20 CHED C=CCCC(=O)COC(=O)CCc1ccc2ccccc2c1 761388293 WFUQJKGAGOXANK-UHFFFAOYSA-N 296.366 3.851 30 20 CHED Cc1c(C(=O)OC2(C#N)CCC2)oc2ccc(Cl)cc12 762106611 RBHCTBVAEQMUSM-UHFFFAOYSA-N 289.718 3.998 30 20 CHED CO[C@H](C(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccccc1 764613388 MMAKCYFDXBKTQJ-GUYCJALGSA-N 295.338 3.550 30 20 CHED CCOc1ccc(OCCSCCCCC#N)cc1 764641987 XQEHUIHZQWXVHW-UHFFFAOYSA-N 279.405 3.891 30 20 CHED CC(CCc1ccsc1)=NNc1cc(C)ccn1 764909377 UVPLDOWRGTUIJG-UHFFFAOYSA-N 259.378 3.872 30 20 CHED Cc1cc(OC(=O)C[C@H]2C=CCCC2)ccc1C#N 765117402 FCCYWCWNAJICKV-ZDUSSCGKSA-N 255.317 3.519 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@H](C)COC)cc1 765331691 SPBKTMJGSKTJSA-GXTWGEPZSA-N 297.826 3.751 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccccc1F 766771700 JEZCEHQHDUBZAT-BQYQJAHWSA-N 255.292 3.679 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(C)cc1 767364572 ZNBHSGWIFRIQQD-UHFFFAOYSA-N 263.344 3.789 30 20 CHED C[C@H](C(=O)OCc1ccccc1C(C)(C)C#N)C(F)(F)F 768038687 CZVBCUZBIJCVGA-SNVBAGLBSA-N 299.292 3.729 30 20 CHED CCN(Cc1ccc(N(CC)CC)c(F)c1)C[C@@H](C)C#N 768880133 CREJJNZFHCHIGU-AWEZNQCLSA-N 291.414 3.653 30 20 CHED CC(C)C[C@@H](C)CC(=O)Oc1ccc(C#N)cc1F 769739358 JEFBCGUDYRAGSM-LLVKDONJSA-N 263.312 3.675 30 20 CHED CCC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 769822305 IPLRJVZXFWCERX-UHFFFAOYSA-N 287.294 3.960 30 20 CHED Cc1ccc(COC(=O)C2(C#N)CCCCC2)c(C)c1 770117463 GSGPTGAEXLZQOF-UHFFFAOYSA-N 271.360 3.821 30 20 CHED C#CCOc1ccc(NC(=O)NC(C(C)C)C(C)C)cc1 770244311 ZPQSVNFTAGDUKO-UHFFFAOYSA-N 288.391 3.501 30 20 CHED N#Cc1cc(/C=C\C(=O)C2CCCCC2)ccc1F 770570533 FGSXLEGTHMVYDJ-CLFYSBASSA-N 257.308 3.860 30 20 CHED CCOc1ccc(/C=N\CC2(OC)CCCCC2)c(O)c1 773908036 SVICUIKADVRASD-PDGQHHTCSA-N 291.391 3.559 30 20 CHED O=C1C/C(=C/c2ccccc2Cl)C(=O)c2ccccc2N1 774144061 ZFZICIIYXMQOEP-XFXZXTDPSA-N 297.741 3.949 30 20 CHED CC(Cn1nc(C)cc1C)=NO[C@@H]1CCCc2ccccc21 775680894 KOSOBHWGQKOFQR-GOSISDBHSA-N 297.402 3.970 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1cscn1 776192974 NVKTVUPVMJVKAN-XQRVVYSFSA-N 266.325 3.587 30 20 CHED N#C[C@H](OC(=O)c1ccc2c(c1)CCCN2)C1CCCCC1 776383781 RPKVKPJYMLHODQ-KRWDZBQOSA-N 298.386 3.674 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)OCCC(C)(C)C#N)CC1 776398775 ONJOHTDMHOTCFQ-HDJSIYSDSA-N 265.397 3.932 30 20 CHED C=C(C)COC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1 778146570 NLVJGQMCZMLXEF-UHFFFAOYSA-N 290.750 3.567 30 20 CHED C[C@@H](CCc1ccccc1)OC(=O)c1cccc(F)c1C#N 778361169 VBVLZUKSMFTUIB-ZDUSSCGKSA-N 297.329 3.875 30 20 CHED Cc1ccc(C(F)(F)C(=O)Nc2ccc(C#N)cc2)cc1 779712380 BNRWDFQAXRWAMQ-UHFFFAOYSA-N 286.281 3.597 30 20 CHED Cc1cc(C)nc(NN=Cc2ccc(Cl)c(C)c2)n1 779757003 XZFJJDKRBDARMJ-UHFFFAOYSA-N 274.755 3.501 30 20 CHED C#CCCCCCC(=O)NCc1ccc(C(F)(F)F)cc1 779757562 GRPDGQGNTFVGJB-UHFFFAOYSA-N 297.320 3.905 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)c1ccccc1F 779890670 OTFXKWDMWPMMMR-UHFFFAOYSA-N 289.394 3.803 30 20 CHED C#CCCCCCC(=O)Oc1ccccc1OC(F)F 779917646 IGZIIPYGQRWWSZ-UHFFFAOYSA-N 282.286 3.777 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)OCc1cn2ccccc2c1C#N 780244704 DPTMNSDWLDOELE-QWHCGFSZSA-N 284.359 3.536 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NOC1CCCC1 782226974 CGYIWHHMIXMPBK-UHFFFAOYSA-N 271.364 3.831 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cc(F)c(F)cc1F 782285588 DXLVBBZNUYUIAL-ZDUSSCGKSA-N 270.298 3.606 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1ccccc1F 782416681 AJVGYLSOZFISNH-LLVKDONJSA-N 264.369 3.563 30 20 CHED C/C=C/C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782485914 OAWSWEIFOFBOQT-LYKUJDHUSA-N 290.366 3.979 30 20 CHED Cc1cc(C=NNc2ccc(Cl)c(F)c2)sn1 785457699 PKKUKOXWGGTDNC-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc2c(c1)CCC2 785753916 MTIFIRLMXGVCOB-SFHVURJKSA-N 286.371 3.504 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)nc1 787029974 ZKXHKMDKDGLVNO-MEDUHNTESA-N 297.789 3.945 30 20 CHED CC[C@@H](CC#N)OC(=O)c1c(Cl)c2ccccc2n1C 787079147 PFYOSWFKJIPZCZ-JTQLQIEISA-N 290.750 3.681 30 20 CHED C=CCN(Cc1cnc(-c2ccco2)s1)C(C)C 787100343 KIDZLEWIUUMLEO-UHFFFAOYSA-N 262.378 3.800 30 20 CHED CCCCC(=NOC[C@H]1CCOC1)c1ccccc1 788035332 ZLRWZAYHZBQNPM-AWEZNQCLSA-N 261.365 3.634 30 20 CHED C#C[C@@H](OC(=O)c1ccoc1)c1ccc(Cl)cc1F 788154372 VGDDIECSARLHGC-CYBMUJFWSA-N 278.666 3.603 30 20 CHED C#CCC1(C(=O)N2CCC(C)(CC)CC2)CCCCC1 788194847 OKBBXWFWNXOJSI-UHFFFAOYSA-N 275.436 3.999 30 20 CHED C#CCC1(C(=O)OCCCc2ccncc2)CCCCC1 788217260 GQYWTTJZRDOBBB-UHFFFAOYSA-N 285.387 3.531 30 20 CHED Oc1ccccc1/C=N\CCc1ccccc1OC(F)F 788285306 DYKUYWMVPOTKPZ-ODLFYWEKSA-N 291.297 3.655 30 20 CHED COc1cc(F)cc(NN=C2CCC23CCCC3)c1 788717843 DLZZIKILNFWNLM-UHFFFAOYSA-N 262.328 3.956 30 20 CHED CCOCCON=C[C@H](C)c1ccc(C(F)(F)F)cc1 789051773 XGBXCVKHQYLCIJ-NSHDSACASA-N 289.297 3.848 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](CCC=C)c1ccccc1 791202658 UJYFAJILCYDGPF-DLBZAZTESA-N 269.388 3.655 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 792952791 TTZLWPGHZFKLPT-JSGCOSHPSA-N 296.773 3.514 30 20 CHED C[C@@H](NN=C[C@H]1CCOc2ccccc21)C(C)(C)C 793118022 ZFUBJXCIZCPSPS-CHWSQXEVSA-N 260.381 3.563 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H](O)c1ccsc1 793530442 AOXUSVDGMAGUCM-DZGCQCFKSA-N 267.438 3.896 30 20 CHED CCc1cc(N=Cc2cc([N+](=O)[O-])ccc2O)ccc1F 794678407 AGAYLEPETSPNDU-UHFFFAOYSA-N 288.278 3.753 30 20 CHED C[C@H]1CSCC1=NNc1nc(-c2ccccc2)cs1 794888486 QVVVHQCDBIKYRA-JTQLQIEISA-N 289.429 3.961 30 20 CHED O=C(/C=C/c1c(F)ccc(O)c1F)c1ccc(Cl)nc1 794946481 OOFFXESSZRWACQ-DUXPYHPUSA-N 295.672 3.615 30 20 CHED COc1ccc(/C=C2\CCc3ccc(O)cc3C2=O)cc1 794960678 WGOKPXPJBGJTKG-GXDHUFHOSA-N 280.323 3.613 30 20 CHED C=CCOC(=O)c1ccc2nc(-c3ccccc3)oc2c1 796044839 VMBNQHGZRLRUGF-UHFFFAOYSA-N 279.295 3.838 30 20 CHED COc1cc(Cl)ccc1CN(CCC#N)CC(C)C 796445466 LPWDRPXQBKHWSH-UHFFFAOYSA-N 280.799 3.720 30 20 CHED Oc1ccc(Cl)cc1/C=N\C[C@H]1CCC(F)(F)C1 797399334 WSJXMPWCYUIDGI-NRMZQKLJSA-N 273.710 3.900 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)[C@@]1(C)CCCO1 797404287 KQNPXXRQPXMCLZ-CQSZACIVSA-N 296.802 3.610 30 20 CHED Oc1cccc(/C=N/[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1O 797784813 JOLFQQIQKAQAMZ-LQZLSNDWSA-N 287.746 3.726 30 20 CHED C[C@H]1CCC[C@@H]1CNCc1ccc(O[C@H](C)C#N)cc1 798503397 JDBNRJHHUCTKDD-SQWLQELKSA-N 272.392 3.503 30 20 CHED C#C[C@@H](NC(=O)CCc1ccc(C(C)C)cc1)C(C)C 799044403 MNTFFJANGSJLMB-QGZVFWFLSA-N 271.404 3.517 30 20 CHED CC(C)C[C@@H](C)C=NNc1cc(C#N)cc(Cl)n1 799112247 RCONZTLARIIDHT-SNVBAGLBSA-N 264.760 3.687 30 20 CHED COc1ccccc1CON=C(C)c1cccc(F)c1 799118904 ACZKWOWEBJSHID-UHFFFAOYSA-N 273.307 3.775 30 20 CHED CCc1ccc(CN(C)C(=O)c2ccc(C)c(C#N)c2)cc1 799298479 ZAPSCNWPNSMWKC-UHFFFAOYSA-N 292.382 3.701 30 20 CHED C#CC[C@@H](N[C@H](C)c1cccc(O)c1)c1ccccc1 799720434 IBASHVMHGWWJLR-RDTXWAMCSA-N 265.356 3.807 30 20 CHED Oc1ccccc1/C=N\C[C@H]1CCCC(F)(F)C1 800720403 COQFJKGHZJFWIP-MTUBTWAWSA-N 253.292 3.637 30 20 CHED c1nc(NN=C2CCC[C@H]3C[C@@H]23)c2c3c(sc2n1)CCC3 800806353 FARMKDABEPSIEG-GXSJLCMTSA-N 298.415 3.768 30 20 CHED CCCCCCCCC(=O)Nc1nc([C@H](C)OC)ns1 800991193 ZVMLCIGRAKHUDE-NSHDSACASA-N 299.440 3.935 30 20 CHED Cc1ccc(C2=CCN(c3snc(C)c3C#N)CC2)cc1 804336483 LEVKNDVRFSDZCM-UHFFFAOYSA-N 295.411 3.925 30 20 CHED C#CCN(Cc1ccccc1)C(=O)NC1CCCCCC1 806283868 HWDCOJGMGWAUFF-UHFFFAOYSA-N 284.403 3.554 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc2ccn(CCC)c2c1 806289476 BHUMMOIYJUOJQB-AWEZNQCLSA-N 283.375 3.585 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(C(C)(C)O)cc2)c1 807954719 BZXUIHHYDFHKAF-UHFFFAOYSA-N 282.387 3.977 30 20 CHED C#Cc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 809546331 REHRJKODNXQARK-UHFFFAOYSA-N 286.378 3.704 30 20 CHED C#C[C@H](NCc1ccc(C(F)(F)F)s1)C(C)C 809685705 MGMPEGDBOPGEIJ-JTQLQIEISA-N 261.312 3.514 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(C2CCCC2)cc1 810623446 BIKXXKVDWKYYPV-HNNXBMFYSA-N 257.333 3.803 30 20 CHED C=CCCCCCCCNC(=O)C(C)(C)C(F)F 811590876 POTSOBYYOGSGBQ-UHFFFAOYSA-N 261.356 3.921 30 20 CHED COc1ccc2c(c1)CCCC2=NOC/C=C\Cl 811670554 VHCYSPDPAIBQTP-FBPGMADFSA-N 265.740 3.505 30 20 CHED CCCCCC[C@@H](CC)C(=O)N[C@@](C)(C#N)CSC 813248648 WQXSTFIICOCYKD-HIFRSBDPSA-N 284.469 3.744 30 20 CHED CCCCC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)C(C)C 813284321 WNVDQUYZKNCLCU-KGLIPLIRSA-N 266.429 3.893 30 20 CHED C#CCCCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 813859670 XBHJCSXEDIHKBF-YJBOKZPZSA-N 289.394 3.687 30 20 CHED CC(=NNc1ccc(F)cc1)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814693563 YAXGEXWBFQWGMZ-RISCZKNCSA-N 292.354 3.751 30 20 CHED C[C@H]1SCCC1=NNc1ncc(Cl)cc1Cl 814740814 YVAWOVSUMFXDFQ-ZCFIWIBFSA-N 276.192 3.682 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccccc1C#N 814823464 ZJIZWGQBFMCVGE-UHFFFAOYSA-N 294.314 3.611 30 20 CHED COC[C@@H](C)NN=C1CCCC[C@@H]1C1CCCCC1 814895555 OACCIFGKDIARAU-UKRRQHHQSA-N 266.429 3.737 30 20 CHED COC[C@H](C)NN=C1CCCC[C@@H]1C1=CCCCC1 814895866 XXSQQAGNKIQHJW-DZGCQCFKSA-N 264.413 3.658 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCC(C(=O)O)CC1 814896123 JZVRANZSLNGVNO-UHFFFAOYSA-N 297.358 3.586 30 20 CHED Cc1c(C=NN[C@@H]2CCOC2)sc2c(Cl)cccc12 814916418 ALIHJLZXEHFKNO-SNVBAGLBSA-N 294.807 3.576 30 20 CHED CCC(=NOCCC1CC1)c1ccc(Cl)c(N)c1 814940848 BVEFOMZYXWRXCD-UHFFFAOYSA-N 266.772 3.853 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1[C@H](C)CCC 815830464 CFUWHAZYEWMKCR-NEPJUHHUSA-N 259.340 3.625 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@]1(C)CC1(Cl)Cl 821452338 WSTSUNGIFNIQAI-NSHDSACASA-N 265.180 3.716 30 20 CHED COc1c(F)cc(NCC(C)(C)CCC#N)c(OC)c1F 824941292 KOXBQBPLWSKBGE-UHFFFAOYSA-N 298.333 3.724 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cccc(C#N)c1 834811298 QCBZXKJWVXEWTF-CLFYSBASSA-N 277.323 3.771 30 20 CHED Clc1ccc([C@H]2CCCC2=NNc2ccncn2)cc1 835000839 AWTTXBDHLUXATP-CYBMUJFWSA-N 286.766 3.866 30 20 CHED CC[C@@H](C)c1ccccc1OC(=O)c1ccc(C#N)n1C 835047728 DFEPHGQJEIYKCW-GFCCVEGCSA-N 282.343 3.629 30 20 CHED C[C@]1(C(=O)OC[C@H](C#N)Cc2ccccc2)CC=CCC1 835210282 PKFHGQXNCRWAMU-WMZOPIPTSA-N 283.371 3.658 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCc1ccc(C#N)cc1C 835242522 QHYIFWNNQGLJSM-GFCCVEGCSA-N 299.292 3.889 30 20 CHED C[C@H]1CC=C(C(=O)OC[C@@H](C#N)Cc2cccs2)CC1 835261187 QXLXSVHMFSYQJC-QWHCGFSZSA-N 289.400 3.720 30 20 CHED CCSc1cccnc1C(=O)OCC(C)(C)CCC#N 835386684 MDRNTCAMVILHJC-UHFFFAOYSA-N 292.404 3.680 30 20 CHED C=CC[C@H](C(=O)OCCc1ncccc1C)c1ccccc1 835578139 YNYKMLITEIZSML-KRWDZBQOSA-N 295.382 3.836 30 20 CHED C=CCC1(NC(=O)C2(F)CCCC2)CCCCC1 836957022 NNDMSTFSFJSZCV-UHFFFAOYSA-N 253.361 3.664 30 20 CHED O=C(C#CC1CC1)N1CCCCC[C@H]1c1ccccc1 837355484 WAQLCTNAKZDKOT-KRWDZBQOSA-N 267.372 3.544 30 20 CHED O=C(C#CC1CC1)Nc1cc(Cl)cc(C(F)(F)F)c1 837537307 HSWIKMMJTTVTOL-UHFFFAOYSA-N 287.668 3.711 30 20 CHED N#Cc1ccc(F)cc1COC(=O)[C@@H]1CCCCC1(F)F 837825503 SBQPANMWOJOWPE-ZDUSSCGKSA-N 297.276 3.566 30 20 CHED N#C[C@]1(C(=O)O[C@H]2CCOc3ccccc32)CC12CCCC2 839312338 LKDNQTYGLCGYFQ-YJBOKZPZSA-N 297.354 3.527 30 20 CHED C#CC[C@@H](Nc1ncc2c(n1)CCCC2)c1ccccc1 840276754 FUMGHVLIYUROLG-MRXNPFEDSA-N 277.371 3.532 30 20 CHED CC[C@@H](CC(=O)Oc1cccc(OCC#N)c1)C(C)C 841346183 VGQHXDMRCSZLHT-ZDUSSCGKSA-N 275.348 3.567 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@H]1CC(C)(C)Oc2ccccc21 842342127 GMPGMVOLGVLRJK-JSGCOSHPSA-N 287.359 3.567 30 20 CHED C#C[C@H](OC(=O)c1c(C)noc1C1CC1)c1ccc(F)cc1 842409209 ZHYGTNRYLFVFLR-AWEZNQCLSA-N 299.301 3.531 30 20 CHED C#Cc1ccc(-c2nc(C3CCCCCC3)no2)nc1 843317427 MOOHEJLYNMIQEF-UHFFFAOYSA-N 267.332 3.551 30 20 CHED C=C[C@@H](C)ONC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 846554266 JEQJZZBCQIHOEG-NXEZZACHSA-N 287.281 3.588 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CCC(=O)[C@@H](C)C1 847744767 WZRWWESWYBUWSY-JLHDYFKBSA-N 292.419 3.916 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@@H]1CCC[C@H](C#N)C1 851084860 YBVQOGANTWBVLB-HDEZJCGLSA-N 283.371 3.724 30 20 CHED C=C[C@@H](OC(=O)[C@H](C)c1c(C)noc1C)c1ccccc1 851452005 GGXIXYOSGLEQIN-IAQYHMDHSA-N 285.343 3.865 30 20 CHED C=C[C@@H](OC(=O)c1ocnc1C1CC1)c1ccccc1 851452722 WCJJPNUZPYBLIG-CYBMUJFWSA-N 269.300 3.636 30 20 CHED C#C[C@](C)(CC)NCc1csc(C2CCCC2)n1 852099039 CDRVNCSBYCDVFX-OAHLLOKOSA-N 262.422 3.692 30 20 CHED C#C[C@](C)(CC)NCc1coc(-c2ccc(F)c(F)c2)n1 852099158 FUAPYXZDPRATPE-MRXNPFEDSA-N 290.313 3.511 30 20 CHED C=CCN(CC[C@@H]1CC1(Cl)Cl)C(C)(C)C 852554573 RRNWDSRJUAPKRO-SNVBAGLBSA-N 250.213 3.857 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1c(F)cccc1F 853783574 WDCVVOIGVLCQSU-MRVPVSSYSA-N 291.750 3.778 30 20 CHED Cc1cc(F)cc(C)c1C(=O)O[C@@H]1CCC[C@H](C#N)C1 857627137 HFKUGCYJBCXZIT-GXTWGEPZSA-N 275.323 3.682 30 20 CHED C=CCSCCNC(=O)/C=C\c1ccc(SC)s1 858863783 PFPICUYGLBDQCC-XQRVVYSFSA-N 299.486 3.519 30 20 CHED CCCOc1ccc(OC(=O)C(C#N)(CC)CC)cc1 860456305 SZQRZTOXHJLXNZ-UHFFFAOYSA-N 275.348 3.711 30 20 CHED Cn1ccnc1C(=O)/C=C\c1ccc(SC(F)F)cc1 864235175 KBHWKFYNOXTHPW-DAXSKMNVSA-N 294.326 3.631 30 20 CHED CC(C)(C)SCCCSc1cccnc1C#N 865369517 ZJACRPIJAKORAW-UHFFFAOYSA-N 266.435 3.967 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C=O)s2)CCCC1(C)C 867840173 RHPMPAVWIWKOMK-CQSZACIVSA-N 291.416 3.768 30 20 CHED C=CC(C)(C)CC(=O)N1CCCO[C@H](c2ccccc2)C1 878741981 PGABBQKERDKIBO-INIZCTEOSA-N 287.403 3.579 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1cccc(O)c1)CC1CC1 878834707 QRDSOZHYMFRMMM-UHFFFAOYSA-N 287.403 3.733 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1c(O)cccc1F 886603444 ODTHCDRNOJDCDD-BDJLRTHQSA-N 296.345 3.741 30 20 CHED C=CCCC[C@H](N)c1nc(Cc2ccc(Cl)cc2)no1 900003210 CWVPVYCZWXXHLL-ZDUSSCGKSA-N 291.782 3.670 30 20 CHED C=CCn1c(S[C@H](C)OCC)nnc1-c1ccccc1 901354710 VVDBYHKMFDAIES-GFCCVEGCSA-N 289.404 3.606 30 20 CHED CC(C)n1cncc1/C=C/C(=O)c1ccc(C(F)F)nc1 901540785 CXKOYKMGZSBYHD-GQCTYLIASA-N 291.301 3.693 30 20 CHED C=CCC1(C(=O)N=[S@@](C)(=O)C(C)C)CCCCC1 906193345 AZQFLRIWYJIIJH-SFHVURJKSA-N 271.426 3.546 30 20 CHED N#CC1(CCCCOC(=O)C23CCC(CC2)C3)CCC1 909164213 GQVAMBGKCINGTD-UHFFFAOYSA-N 275.392 3.974 30 20 CHED CC(=NNc1ccc(Br)cc1)c1ccccn1 912822102 JIRDOVZFZBCMPX-UHFFFAOYSA-N 290.164 3.680 30 20 CHED COc1cc(F)ccc1N=Cc1cc(Cl)ccc1O 914557869 NANBNSJWFUVFSN-UHFFFAOYSA-N 279.698 3.944 30 20 CHED Cc1cc(C)c(C=NNc2nc3ccccc3n2C)c(C)c1 915968490 YBWYZPFTRRUYAC-UHFFFAOYSA-N 292.386 3.945 30 20 CHED C=CCOC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 917306174 WJJWOVARARZDER-CYBMUJFWSA-N 262.349 3.615 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1ccc(F)cc1F 918156661 RUWMOOVLVDSKFC-WEVVVXLNSA-N 290.240 3.763 30 20 CHED C=C(Br)CN(C)[C@H]1CCCc2ccccc21 919647683 CEKAEDMQPAXSHR-AWEZNQCLSA-N 280.209 3.904 30 20 CHED Cc1cccc2c1OCCC2=NNc1cccc([N+](=O)[O-])c1 920361281 JTLXTZOPXSUJAM-UHFFFAOYSA-N 297.314 3.502 30 20 CHED CCOc1cc(C=NN[C@@H](C)c2ccccc2)ccc1OC 920386040 ONZYPFFVOUCJMT-AWEZNQCLSA-N 298.386 3.779 30 20 CHED Cc1cc(C)cc([C@H](NCC(C)(C)C#N)c2cccnc2)c1 926872798 AYNAHZAKUQYHCI-GOSISDBHSA-N 293.414 3.927 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N1CCC[C@H](C#N)C1 928231241 GSNTZSITKJMFPE-CQSZACIVSA-N 294.354 3.631 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2ocnc2C)cc1 928818017 YLCZRZNPVQXTKV-UHFFFAOYSA-N 282.343 3.782 30 20 CHED CS[C@@H]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C1 1116650575 BDCPCNDFYSMUOH-HUUCEWRRSA-N 294.851 3.928 30 20 CHED C=CCC[C@H]1CCCN1C(=O)/C=C/c1ccccc1C#N 1120813626 IUJQCYLYLODBMV-FLVLSHQESA-N 280.371 3.529 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)c1cc(C#N)ccc1C 1125781433 PIWPABMWZPCOHL-QGZVFWFLSA-N 292.382 3.618 30 20 CHED CC1(C#N)CCC(NCc2ccc(Br)o2)CC1 1173590277 CVWRALIXHRRCMC-UHFFFAOYSA-N 297.196 3.604 30 20 CHED N#Cc1ccc(CCN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 1182854606 JTOMVHUKKJFMDT-IEWDOMPSSA-N 280.415 3.515 30 20 CHED N#Cc1cccc(N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)n1 1185188753 VZXAOAFLTXZCBS-MPTYRVRUSA-N 281.403 3.748 30 20 CHED CCc1ccc2c(c1)CN(CCC(C)(C)C#N)CC2 1198851839 LFQPZCBTDCZRHE-UHFFFAOYSA-N 256.393 3.547 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1C#N 1201432234 FXGGCMWTQYNSPG-BXUZGUMPSA-N 289.354 3.788 30 20 CHED CCC(C)(C)c1ccc(CN2CC(C)(C#N)C2)cc1 1232079437 QUDNNLQAKUPFBB-UHFFFAOYSA-N 256.393 3.720 30 20 CHED Cc1ccc(C[C@@H](C)NCCc2ccc(C#N)cc2)cc1 1255774903 OUGQHFFTVJNDGF-MRXNPFEDSA-N 278.399 3.630 30 20 CHED COc1ccccc1C1(N[C@@H]2CCC[C@H](C#N)C2)CCC1 1256035835 UEJKHXJSOCRIQC-LSDHHAIUSA-N 284.403 3.746 30 20 CHED N#Cc1ccccc1OCc1nnc(CC2CCCCC2)o1 1257022499 PHDYNYXPGZZUEM-UHFFFAOYSA-N 297.358 3.643 30 20 CHED CSc1ccccc1C(=O)/C=C\c1cccnc1N(C)C 1258513103 QEWRGTUNYGAFOY-KHPPLWFESA-N 298.411 3.766 30 20 CHED C[C@@H](OC(=O)[C@H]1CC2CCC1CC2)c1ccc(C#N)cc1 1265620313 GNVMSFAOIBZJDG-MIOCFURKSA-N 283.371 3.989 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2cccc(CC#N)c2)c1 1266544317 XAQTUROYBVYQHF-AWEZNQCLSA-N 278.355 3.552 30 20 CHED Oc1ccccc1/C=N/Cc1cccc(Cl)c1F 1318755112 KMTUEUOOSHDYAA-CAOOACKPSA-N 263.699 3.804 30 20 CHED CC(C)(C)CCOC(=O)C1(c2cccc(C#N)c2)CC1 1319917293 UVVAXLRZPLNVCS-UHFFFAOYSA-N 271.360 3.569 30 20 CHED C#CCCCCc1nc(-c2cc3ccccc3o2)no1 1320843659 ZXYGHKILRKPHII-UHFFFAOYSA-N 266.300 3.829 30 20 CHED COC1CCC(=NNc2ccccc2Cl)CC1 1323704985 JZVMSBXDPMCPBN-UHFFFAOYSA-N 252.745 3.697 30 20 CHED Cc1c(N[C@H]2CC[C@@H](C#N)C2)cccc1-c1ncco1 1324377455 VEJBBZHGYKIDCI-OLZOCXBDSA-N 267.332 3.754 30 20 CHED Cc1cccc2c1OCC[C@H]2OC(=O)c1csc(C#N)c1 1326814682 NNYMZPUZIMKCOT-CQSZACIVSA-N 299.351 3.609 30 20 CHED CC(C)c1ocnc1CN(C)[C@H](C)c1cccc(C#N)c1 1332009661 IJAIKOLFLUBOFO-CYBMUJFWSA-N 283.375 3.863 30 20 CHED C=C[C@H](CC)CC(=O)NCCCCOc1ccccc1 1332636164 VJUBOFFHDFICIA-OAHLLOKOSA-N 275.392 3.564 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(OCCC(C)C)CC1 1333615888 JEIPZBOXQAPOQG-OAHLLOKOSA-N 281.440 3.642 30 20 CHED C=C[C@@H](OC(=O)Cc1sc(C)nc1C)c1ccccc1 1334247719 PVKPZEQISKRUAR-CQSZACIVSA-N 287.384 3.773 30 20 CHED CC(C)(C(=O)Nc1ccc(OCC#N)cc1)C1CCCC1 1335865892 IJTWGVFEGYQONU-UHFFFAOYSA-N 286.375 3.744 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCC(=C)C 1337267838 MFGQXJDURVJLCR-INIZCTEOSA-N 257.377 3.646 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1csc(C#N)c1 1337670744 YKPPPRQVQDLHIQ-HNNXBMFYSA-N 282.368 3.727 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](CSc2ccccc2)C1 1338883485 YXJVQHRLMIJKLN-HNNXBMFYSA-N 289.444 3.984 30 20 CHED CC[C@H](C#N)N(CC)C(=O)/C=C/c1ccc(Cl)s1 1339185214 PKQQZFPJWGOWFV-QEHWCHDUSA-N 282.796 3.565 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1c(C)noc1Cl 1339280308 HQBQHGDQPUTAIG-LBPRGKRZSA-N 296.798 3.526 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1ccc(F)cc1C 1348716227 IOTXKHNKSVWGKJ-HNNXBMFYSA-N 261.340 3.764 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1ccsc1 1357430255 FFWDZVKZQQJYAU-TZMCWYRMSA-N 278.421 3.949 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cc1F 1436533395 GSZOMEZFRHKQSY-ZIAGYGMSSA-N 288.366 3.644 30 20 CHED CCC[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)C1CCC1 1465521005 VGECKRNQCHXUCH-OAHLLOKOSA-N 289.354 3.788 30 20 CHED Cc1ccc2sc(NC(=O)C3(C#N)CC(C)C3)nc2c1C 1471144836 ZASXDESKTUMCRJ-UHFFFAOYSA-N 299.399 3.792 30 20 CHED CCc1nc(C#N)cc(S[C@@H]2CCOc3ccccc32)n1 1472726224 WPVBBZCGZWWWIF-CQSZACIVSA-N 297.383 3.527 30 20 CHED Cc1cc(N2CCC[C@@H]2CCC(C)C)ncc1C#N 1472727613 NJDNXGTVVNRQJQ-OAHLLOKOSA-N 257.381 3.667 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(CC(C)C)s2)n1 1523629994 PXOATWSEBBZZEQ-UHFFFAOYSA-N 299.399 3.774 30 20 CHED Cc1sc(NC(=O)C(C)(C)C#N)nc1C1CCCCC1 1526485586 XTEKBJMVUOZNOH-UHFFFAOYSA-N 291.420 3.988 30 20 CHED C[C@@H]1CC(C(=O)N2CCCc3cc(C#N)ccc32)C[C@@H](C)C1 1526493685 NJPDUPWTSGQQDO-KBPBESRZSA-N 296.414 3.910 30 20 CHED Cc1ccccc1C1(C(=O)N(C)[C@@H](C)CC#N)CCCCC1 1540239427 HMKOOSVWMTZSCG-INIZCTEOSA-N 298.430 3.958 30 20 CHED C=CCCCCN[C@@H](c1ccccc1)C(C)(C)C(=O)O 1588802666 SFTSYPMNQAXIAH-HNNXBMFYSA-N 275.392 3.784 30 20 CHED CC#CCCCC(=O)Nc1ccc(C(C)C)cc1C(=O)O 1588927041 JYLLREOSZAUYQX-UHFFFAOYSA-N 287.359 3.640 30 20 CHED C[C@]1(C(=O)Nc2cc(F)cc(C#N)c2)C[C@@H]1c1ccccc1 1596856669 XCZYFZOIKMUNQX-AEFFLSMTSA-N 294.329 3.830 30 20 CHED O=C(O)c1coc(/C=C\C(=O)c2ccc(Cl)s2)c1 1602554193 ZQFVTAYOHYWVPV-UPHRSURJSA-N 282.704 3.589 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N(CC)[C@@H](C#N)CC 1617776093 LYCHHIKYTGGLPI-UKRRQHHQSA-N 290.432 3.708 30 20 CHED Cc1nc(NC[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1C#N 1651020317 ZXCDKDRXIFDKJU-XUJVJEKNSA-N 257.381 3.746 30 20 CHED CC[C@H](C)Oc1cccc(NCc2ccc(C#N)cc2F)n1 1663113971 VEUUPTNGKLYKDX-LBPRGKRZSA-N 299.349 3.882 30 20 CHED Cc1cc(C)c(/C=C\CN(C)C[C@@H](C)C#N)c(C)c1 1663928892 BPKKYURGHYMCSP-AFNCTOJWSA-N 256.393 3.717 30 20 CHED COc1ccc(C#N)cc1NCCC1CCCCC1 1664234425 PZNOILYJZVNMOP-UHFFFAOYSA-N 258.365 3.949 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2cc(C#N)ccc2F)C1 1672625815 YLIASWLNLBHMGL-YPMHNXCESA-N 289.354 3.788 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccc(F)cc1C#N 1675090509 NUSFXTNFEVBNDX-IINYFYTJSA-N 289.354 3.644 30 20 CHED C=C(CNC(=O)NC[C@@H]1CCC[C@@H](C)C1)c1ccccc1 1675971050 UXPZMVHCZPDIES-GDBMZVCRSA-N 286.419 3.825 30 20 CHED Cc1c(Cl)cccc1C=NNc1ccccc1C(=O)O 1776031095 MDTICEFCYBCSQM-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC(C)(C)c1ccccc1C=NNc1ccc(C(=O)O)nc1 1776072141 LDTCMYSRRGPNNA-UHFFFAOYSA-N 297.358 3.523 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CC[C@H]2CCC[C@H](C)C2)C1 1776160704 XGDPFEMOYYVFOX-UXLLHSPISA-N 279.424 3.556 30 20 CHED N#Cc1ccccc1CN(Cc1cccc(F)c1)C1CC1 52161581 MJKTZPFAPJISOB-UHFFFAOYSA-N 280.346 3.862 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1coc2ccccc12 113023562 GSPGOPRHUZUJSQ-UHFFFAOYSA-N 290.322 3.577 30 20 CHED COc1ccc2c(c1)CN([C@H](C)c1ccc(C#N)cc1)CC2 172450797 DOXFEZXLUVZTLD-CQSZACIVSA-N 292.382 3.686 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(F)cc(F)c2)c1 103029069 NPRBNQPEUYSATR-UHFFFAOYSA-N 285.293 3.613 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@@H](c1ccccc1)C(C)C 103070821 MFTMSVXVSBBRTM-NVXWUHKLSA-N 286.419 3.824 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)CC(C)C)c1 102858799 JABWUQGHBKXKTK-UHFFFAOYSA-N 281.355 3.840 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(Cl)cc2OC)c1 103030379 VQGOTAIJKQQGKG-UHFFFAOYSA-N 299.757 3.607 30 20 CHED Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)c(F)c1 10411480 BTSUUUFKTPMTJD-UHFFFAOYSA-N 282.318 3.577 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H](Nc2ccccc2)C1 119983981 HNEMRKIVYHJBHE-MRXNPFEDSA-N 271.408 3.503 30 20 CHED C[C@@H](OC(=O)Cc1cccc(F)c1)c1ccc(C#N)cc1 175782754 STOHVRDLOCKYPL-GFCCVEGCSA-N 283.302 3.544 30 20 CHED C=C(C)COc1cccc(NC(=O)NCCCC)c1 67319766 PEARAJQGKZCDNG-UHFFFAOYSA-N 262.353 3.563 30 20 CHED CC(C)Sc1ccccc1C(=O)Nc1ccc(C#N)cn1 110285977 CQYDZTFYUMPMJA-UHFFFAOYSA-N 297.383 3.706 30 20 CHED Cc1cc(Cl)cc(C)c1CNCCCCC#N 179320336 MWTNNCIJLHQMBZ-UHFFFAOYSA-N 250.773 3.740 30 20 CHED C=CCC[C@@H](NCc1cn(C)nc1C)c1ccccc1 119225737 YGKNBGDVDGHEBK-QGZVFWFLSA-N 269.392 3.526 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Cl)cc2F)C1 116812092 KJBTYWHVSPCLBF-MEBBXXQBSA-N 294.757 3.681 30 20 CHED Cc1csc([C@@H](NCc2cc(C#N)cs2)C2CC2)n1 177706186 MGFMJWFIAZNLAS-ZDUSSCGKSA-N 289.429 3.626 30 20 CHED N#CCCCCNC(=O)N1CCCCC[C@H]1c1ccco1 172462257 RJGIDNZISDJLAP-AWEZNQCLSA-N 289.379 3.600 30 20 CHED C=CCc1ccccc1OCc1ccn(C(C)C)n1 172330308 IMMBGSHGKWQILF-UHFFFAOYSA-N 256.349 3.772 30 20 CHED N#Cc1ccc(N2CCS[C@@H](c3ccccc3)C2)c(F)c1 301773393 FKUYUPLIUKFFJF-QGZVFWFLSA-N 298.386 3.992 30 20 CHED CC[C@H](CNc1cccc(C#N)n1)Oc1ccccc1C 301524555 FNJDDUYBXRXTQJ-OAHLLOKOSA-N 281.359 3.531 30 20 CHED CCc1cccc(N/C(N)=N/CCCCCCSC)c1 305831082 UGVRWNJQXHNFES-UHFFFAOYSA-N 293.480 3.899 30 20 CHED C[C@H](CNc1ccc(C#N)cc1F)Oc1cccc(F)c1 301477981 XHPLGGZTUJXVEQ-LLVKDONJSA-N 288.297 3.716 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc3c(c2)CCO3)c1 172817044 UCUFMRRPWSTFTD-FNORWQNLSA-N 294.350 3.664 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1 179395000 XCOCRGSVJBWHCS-AUUYWEPGSA-N 276.383 3.971 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 32266148 OAJAFWHLVBVKQH-WCIBSUBMSA-N 256.276 3.730 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1 35147039 MEGRLRHDVAMMGV-UTCJRWHESA-N 292.743 3.996 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(N2CCCC2)c1 124910489 LJAMGLPZCXLODG-UHFFFAOYSA-N 284.403 3.994 30 20 CHED CC(C)(C)c1cnc(Sc2ccc(C#N)cn2)s1 301660179 TZLUUGLQNMMAPZ-UHFFFAOYSA-N 275.402 3.858 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 120877847 PGOUXOWCLQKTMV-UHFFFAOYSA-N 274.320 3.610 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@H](C)c1ncc(C)s1 183852055 YKLPLQQMDZVNSB-RYUDHWBXSA-N 295.452 3.599 30 20 CHED CSc1ccc([C@H](C)NC[C@@H](C#N)CCC#N)cc1 30534615 NMODIABJQMKUJE-QWHCGFSZSA-N 273.405 3.503 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)o1 185085590 LHVNIZDOLVDOAW-FZKQIMNGSA-N 280.371 3.955 30 20 CHED CCOc1cc(Br)ccc1N[C@H](C#N)CC 122263155 JSKWJUYLMOMHHP-JTQLQIEISA-N 283.169 3.562 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 185680256 RSAGUCXBLZPBEH-WBVHZDCISA-N 283.415 3.688 30 20 CHED C=CCCOc1cccc(C(=O)Nc2ccccc2)c1 77239327 XRSIDBMGQTYXJF-UHFFFAOYSA-N 267.328 3.894 30 20 CHED C=CC1CCN(CCSc2ccc(F)cc2)CC1 522082694 GFIJQBNLNGOWHO-UHFFFAOYSA-N 265.397 3.816 30 20 CHED CC[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc(C#N)cc1 414135218 DKLWGGYVMGXCMX-YVEFUNNKSA-N 283.350 3.894 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@H](C)c1ccc(CC)cc1 410829676 RTKFDXOVZTVONY-WMLDXEAASA-N 286.419 3.893 30 20 CHED Cc1ccnc(N[C@H]2CCCc3cc(C#N)ccc32)c1C#N 419011368 ARPMZFRUGYPDFL-KRWDZBQOSA-N 288.354 3.623 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)NCC(C)(C)C#N)C1(C)C 413438627 JEQBJQNQVQYHEN-ZDUSSCGKSA-N 293.455 3.782 30 20 CHED CC1(C)C[C@H](NCCC2(C#N)CCCCC2)C(C)(C)O1 411549391 GOPGPVRWPGYYGU-AWEZNQCLSA-N 278.440 3.786 30 20 CHED C=CCCCN1CCC(CCCN2CCCC2)CC1 443601276 MSSWJYUVSWQESH-UHFFFAOYSA-N 264.457 3.541 30 20 CHED CC(C)c1ccc(S[C@@H](C)C(=O)N(C)CCC#N)cc1 78822791 KXXKMXXYGZYUBG-ZDUSSCGKSA-N 290.432 3.663 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@](C)(c3ccccc3)C2)n1 500283012 WXZCZDBOIYPNNC-IBGZPJMESA-N 291.398 3.820 30 20 CHED N#CCCC[C@@H](NC(=O)NC[C@H]1CC12CC2)c1ccccc1 416743725 WESPWPFYDJPUJY-HZPDHXFCSA-N 297.402 3.521 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416098817 KNWVPEOVRKCELV-LMMKCTJWSA-N 296.414 3.734 30 20 CHED C=CCCS(=O)(=O)N(CCCC)[C@@H](C)c1ccccc1 120011766 BSNCUIHIUPJFPM-HNNXBMFYSA-N 295.448 3.756 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C#N)C(C)C 183031170 GBLCFVSMRCQMFT-KRWDZBQOSA-N 294.354 3.762 30 20 CHED CCCCCCCN(C)C1C[C@@H]2CC[C@H](C1)N2C 375738189 LGOKOQDNYPLIFY-XYPWUTKMSA-N 252.446 3.514 30 20 CHED CC(C)(CC#N)CNc1cc(C#N)ccc1C(F)(F)F 413409025 NYHYBPBTFQIUCM-UHFFFAOYSA-N 281.281 3.929 30 20 CHED C#CCSCCN[C@@H](CC)c1cccc(Cl)c1 219229091 SUUNKRWFJXFNBN-AWEZNQCLSA-N 267.825 3.747 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(-c2cccs2)nc1C 180389842 KKJNAZVQUGYBFS-UHFFFAOYSA-N 286.400 3.767 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(CCC#N)C(C)(C)CC 189923789 SBOJYOKUORMROR-STQMWFEESA-N 252.402 3.599 30 20 CHED C=CCCCCCN(C)CCCC1(C#N)CCOCC1 410379793 QOWPZFJRSZMIIN-UHFFFAOYSA-N 278.440 3.765 30 20 CHED N#CCCCN[C@@H](c1ccccc1)C1(CO)CCCCC1 412015502 TYEKVLUZHOABJP-KRWDZBQOSA-N 286.419 3.564 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)n2ccnc21 414305412 RSLYWWJKVHOKQX-USXIJHARSA-N 281.403 3.666 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1 182951902 DJDFGVMMZIMNQD-IAOVAPTHSA-N 282.387 3.710 30 20 CHED N#Cc1ccc(CN2CCSC3(CCC3)CC2)c(F)c1 411874004 ZCTMYWZJNLYWIH-UHFFFAOYSA-N 290.407 3.559 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccc2c(c1)OCO2 133789063 QJMOBXXXZHCLMI-UHFFFAOYSA-N 295.338 3.795 30 20 CHED C[C@H](Sc1ccc(C#N)cc1)C(=O)Nc1ccccc1 48512087 OADQTCNQFFSHMV-LBPRGKRZSA-N 282.368 3.678 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(COC(C)C)cc1 42034531 SYCCMVWQSLHSAP-UHFFFAOYSA-N 275.392 3.650 30 20 CHED CN(Cc1ccc(F)cc1F)c1ccc(Cl)c(C#N)n1 508621422 OXSMQXTXWQQTBI-UHFFFAOYSA-N 293.704 3.521 30 20 CHED C[C@@H]1CCC[C@H](C/N=C(/O)C[C@H]2CCCC(O)=N2)C1 329673553 UZWIFTCPHZVIQQ-FRRDWIJNSA-N 266.385 3.668 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 527737360 UPBVUVPTQNNPLN-SOUVJXGZSA-N 276.424 3.791 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 500669546 RUYBFVILZLSILN-UHFFFAOYSA-N 298.773 3.807 30 20 CHED C#CCOc1ccc(F)cc1NCc1cnc(Cl)s1 89660941 HUGSDLFMHINGRF-UHFFFAOYSA-N 296.754 3.560 30 20 CHED COc1ccc(O)c(/C=N/Cc2ccc(C)cc2C)c1 48501922 DMMDDCVFFNUSLW-WOJGMQOQSA-N 269.344 3.637 30 20 CHED C#CCCCC(=O)N1CC2(CCCC2)c2c(F)cccc21 192100513 YSYRVNRRMXBRHL-UHFFFAOYSA-N 285.362 3.788 30 20 CHED C=CCOc1ccccc1C(=O)[C@H](C#N)c1nc(C)cs1 41515990 MTMACNMCLUTTDR-ZDUSSCGKSA-N 298.367 3.506 30 20 CHED Cc1cccc(C)c1CNCc1ccc(O[C@H](C)C#N)cc1 132138200 YCBAWJDQZXRZEZ-MRXNPFEDSA-N 294.398 3.884 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](OC(C)(C)C)c1ccccc1 513811288 PISSGEFQPFWDDV-MRXNPFEDSA-N 289.419 3.967 30 20 CHED C=CCC[C@@H](C)N[C@@H](C(=O)OC)c1ccc2ccccc2c1 428391941 XZZRQJHLUCYOGY-RDTXWAMCSA-N 297.398 3.998 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(Cl)c(OC)c1 194419221 STXPXSMSSJBGAD-UHFFFAOYSA-N 282.771 3.779 30 20 CHED CC(C)O[C@@H]1C[C@H](/N=C(/O)[C@@H]2CCC(=O)C[C@H]2C)C1(C)C 329768628 GVDGALSNNKTIJO-REBRKWNGSA-N 295.423 3.540 30 20 CHED CC[C@H](N[C@@H](CO)C1CCCCC1)c1ccc(C#N)cc1 517215495 OAVZHJNEKOHYAJ-ROUUACIJSA-N 286.419 3.540 30 20 CHED CC(C)CCC[C@H](C)NC(=O)NCc1ccc(C#N)s1 420759233 IJOPLIXLUCLRNR-LBPRGKRZSA-N 293.436 3.634 30 20 CHED C[C@@H](C#N)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 428629673 VQNZZWRPDYSZJW-UGSOOPFHSA-N 290.366 3.617 30 20 CHED C=C(Br)CNC(=O)C[C@H](C)C1CCCCC1 194837152 CIGRCZIDRNHSBY-JTQLQIEISA-N 288.229 3.618 30 20 CHED CC(C)CCN(CCC#N)c1nnc(C(C)C)n1C1CC1 516656824 LZXHWSUEFZCTMT-UHFFFAOYSA-N 289.427 3.503 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1csc(O)n1 329928226 XSODHYQOBAJCFN-HBNTYKKESA-N 280.393 3.512 30 20 CHED CC[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 195525984 VHHUXOKRXRLIGW-CQSZACIVSA-N 280.327 3.511 30 20 CHED CN(C(=O)c1cc(Cl)sc1Cl)C1(C#N)CCC1 49314092 CGSWHIOBVMUTCU-UHFFFAOYSA-N 289.187 3.573 30 20 CHED CC1(C#N)CCC(Nc2ccc(N3CCCC3=O)cc2)CC1 336215828 STTGXNMTJOPUPV-UHFFFAOYSA-N 297.402 3.698 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCC1(C#N)CCC1 332496612 VEVRCHUVPUHIDQ-UONOGXRCSA-N 291.439 3.536 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)[C@]1(C#N)CC12CCCC2 334515584 MJDYJLBFHGDJQI-RDTXWAMCSA-N 282.387 3.680 30 20 CHED C=CCC[C@@H](NCC1CCN(c2ccncc2)CC1)C1CC1 89215351 ZBMSLWQUCDIFGO-LJQANCHMSA-N 299.462 3.632 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(c2ccncc2)CCCC1 424752195 WKVZNXZLIWRVEA-UHFFFAOYSA-N 286.419 3.612 30 20 CHED CSc1ccc(Cl)cc1NCc1cc(C#N)n(C)c1 191414865 BNYKYAMTLOLDIB-UHFFFAOYSA-N 291.807 3.884 30 20 CHED CC(C)(Cc1ccc(C(F)(F)F)cc1)NCCCC#N 190702317 BKXWJKPKNMWDEH-UHFFFAOYSA-N 284.325 3.920 30 20 CHED COc1ccc2c(c1)O/C(=C/c1ccc(OC)c(C)c1)C2=O 143385306 GZRGBRAPGHFWNF-RQZCQDPDSA-N 296.322 3.628 30 20 CHED CC(C)C[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425470826 HSXXKVXIHIHCBI-ZIAGYGMSSA-N 287.407 3.695 30 20 CHED CCN(Cc1cccn1CCC(C)C)C[C@H](C)C#N 91984325 ZUDUZYQKKZNTHU-OAHLLOKOSA-N 261.413 3.516 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 333253364 YVMZVLJHUFSZMA-RKVPGOIHSA-N 288.435 3.791 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ncccc1C(C)C)OCC 339483584 AXVDMAZMTGMYPL-CQSZACIVSA-N 276.380 3.515 30 20 CHED N#Cc1ccnc(SCc2sccc2Cl)c1 339114864 SJIKMLVVGYKRCE-UHFFFAOYSA-N 266.778 3.960 30 20 CHED CCCC1CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 333186111 OBWCCNQXTUTEDA-JMLCCBQJSA-N 288.435 3.936 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(C#N)c(C#N)c1C 421555390 IDNCJWNGTLWIBY-CYBMUJFWSA-N 283.375 3.749 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C2CC2)[C@@H](C)C2CC2)cc1 92009545 QBBISBATMWCQJN-KBPBESRZSA-N 284.403 3.740 30 20 CHED Cc1c(C#N)cccc1-c1nc(C2CCCC2)no1 338024310 MORVGWJMWBNTBG-UHFFFAOYSA-N 253.305 3.574 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1 336278668 FFMUOUPECBNWPM-XJKSGUPXSA-N 297.402 3.894 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1cc(F)ccc1F 249862273 GOPQSYPYGDCZPV-WDEREUQCSA-N 252.308 3.507 30 20 CHED C[C@H]1CCCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 249428066 JEIYTUQOLKSQKN-LSDHHAIUSA-N 272.392 3.599 30 20 CHED CSc1ccc(CCNc2ccc(C#N)cc2)cc1 435594024 UWAPGXWJUDQFIV-UHFFFAOYSA-N 268.385 3.935 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247656790 PRAZZOQNFNMFGZ-APYUEPQZSA-N 294.398 3.718 30 20 CHED C=CCCCn1cnc2sc3c(c2c1=O)CCCCC3 522747123 MOHRFZDCUIUESV-UHFFFAOYSA-N 288.416 3.693 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(O)c3ccccc23)no1 436618685 OPCVQXSIZBRGTN-KRWDZBQOSA-N 293.326 3.787 30 20 CHED CSc1ccc(N[C@H](C)c2ccc(C#N)cc2)nc1 347248653 BCRIBHXZYOFWKE-LLVKDONJSA-N 269.373 3.848 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1CCC[C@@H](SC)C1 432578969 MNFDIHJWFIWRTP-CHWSQXEVSA-N 284.469 3.562 30 20 CHED C[C@@H](CCC#N)CNC[C@@H](C)Oc1cccc(Cl)c1 602567899 OOUMSXIVROKPNI-QWHCGFSZSA-N 280.799 3.637 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2nc(OC)ccc2c1 439505384 NZEDZIHQZHAPNG-ZDUSSCGKSA-N 299.374 3.720 30 20 CHED Cc1cc([C@@H]2CCCN2CCC#N)ccc1Br 430226063 ZPCHGASZWNNVSJ-AWEZNQCLSA-N 293.208 3.808 30 20 CHED CC(C)c1cccc2c1OCCC[C@@H]2NCCCC#N 346821925 GSYVVMRFQSBGGC-INIZCTEOSA-N 272.392 3.917 30 20 CHED CC(C)(C)c1noc(-c2cc(-c3cccc(C#N)c3)no2)n1 346985892 PGJLLPDWUHNYCZ-UHFFFAOYSA-N 294.314 3.561 30 20 CHED CSc1ccc([C@@H](C)NC[C@@H](C)CCC#N)cc1 602655318 JQRJVXAAXPQZTD-QWHCGFSZSA-N 262.422 3.999 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccccc1C)C1CC1 522632280 RRIBWHNVJRCRRL-BBRMVZONSA-N 272.392 3.710 30 20 CHED N#Cc1cc(-c2ccc3c(c2)CCCC[C@@H]3N)ccc1O 600780629 SPYFQVURIPPGNP-KRWDZBQOSA-N 278.355 3.657 30 20 CHED COc1cc([C@H](C)Nc2cc(Cl)ccc2C#N)ccn1 340882532 ADBMGWSFJBNUEX-JTQLQIEISA-N 287.750 3.788 30 20 CHED C[C@H](SC1CCC(C)(C)CC1)C(=O)NC1(C#N)CCC1 344603296 GRSUYQOPXFLURV-LBPRGKRZSA-N 294.464 3.639 30 20 CHED C=CC[C@H]1N(C[C@H]2CCCCO2)CCCC1(C)C 444779014 XCZKWKWAJXBWAE-HUUCEWRRSA-N 251.414 3.622 30 20 CHED Cc1ccc(O[C@H](C)CNCc2ccc(C#N)c(C)c2)cc1 444003326 SLGRTEVOIJOGQQ-MRXNPFEDSA-N 294.398 3.732 30 20 CHED Cn1nccc1CCSCc1ccccc1C(C)(C)C#N 601920556 UJZAPKBBCTUACT-UHFFFAOYSA-N 299.443 3.697 30 20 CHED CCCn1nc(C)c(CNc2cc(F)cc(C#N)c2)c1C 601064132 MWIDPZDQGGKECM-UHFFFAOYSA-N 286.354 3.533 30 20 CHED CCO[C@H]1C[C@H](N(C)CCCCC(C)(C)C#N)C12CCC2 444641228 DKDFNDZGHCRMSG-HOTGVXAUSA-N 292.467 3.986 30 20 CHED C[C@@H](CCC#N)CNC[C@H]1CCCN1CC1CCCCC1 602535485 OEGSYUHNTNFBHB-FUHWJXTLSA-N 291.483 3.561 30 20 CHED C=CCOc1ccc(/C=C\C(=O)c2cccnc2)cc1OC 254970259 ZIJYBGKDUYRBHR-VURMDHGXSA-N 295.338 3.551 30 20 CHED N#C[C@@H]1CCC[C@H](NC2CCc3ccccc3CC2)C1 449587526 HJWQFZIDLQRLOH-KDOFPFPSSA-N 268.404 3.606 30 20 CHED C=CC(C)(C)CNCc1ccccc1OCc1ccncc1 449487641 ZRVQUHILJXTVKE-UHFFFAOYSA-N 296.414 3.962 30 20 CHED N#Cc1ccccc1NC(=O)/C=C\SCc1ccco1 255170217 NMMDYPYRPOSXOB-CLFYSBASSA-N 284.340 3.537 30 20 CHED CC(C)(CCC#N)CNC(=O)NCCCC1CCCC1 350750275 YGDBAMJSCSEMLT-UHFFFAOYSA-N 279.428 3.586 30 20 CHED CCCOc1cc(C)ccc1N[C@H]1CC[C@H](C#N)C1 442876351 QYXFURVYZYHQFH-KBPBESRZSA-N 258.365 3.888 30 20 CHED C=CCOCC(=O)Nc1cccc(-c2cccs2)c1 354835029 GPWAVHLJQQJCDJ-UHFFFAOYSA-N 273.357 3.556 30 20 CHED CC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C 609232746 HVMYNAWPQYWXNY-CYBMUJFWSA-N 261.325 3.703 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCCC[C@@H]1CC 351075706 QHFMJHFQAJRKKS-AWEZNQCLSA-N 274.412 3.501 30 20 CHED C=C(CC)CSCC(=O)NCC1(c2ccccc2)CC1 358636454 NFFWYABQKQCMQA-UHFFFAOYSA-N 289.444 3.534 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 448895963 PHAAJGLBQFVTIT-CYBMUJFWSA-N 259.393 3.681 30 20 CHED C=CC1CCN(Cc2cn(C)nc2-c2ccc(F)cc2)CC1 449036612 UWDMJVXEAALYAM-UHFFFAOYSA-N 299.393 3.624 30 20 CHED Cc1cn(Cc2cccc(Br)c2C)cc1C#N 535577891 AHLDHDXBBIWGBG-UHFFFAOYSA-N 289.176 3.787 30 20 CHED C=CC[C@H]1N(CCCn2ccnc2C)CCCC1(C)C 444777111 DMKSXTHTOSNMEI-MRXNPFEDSA-N 275.440 3.648 30 20 CHED CS[C@H]1CCC[C@H](Nc2snc(Cl)c2C#N)C1 265299269 FOPNGXJKAZIGKK-YUMQZZPRSA-N 287.841 3.754 30 20 CHED CCCC[C@H](C)N(C)C(=O)c1cccc(SCC#N)c1 359710191 WGMWHTLZOXJIMZ-ZDUSSCGKSA-N 290.432 3.953 30 20 CHED C=C(C)CN(CC)c1nnc(C2CCC2)n1CC(C)C 359098925 ZWVGNRWBRXMGQB-UHFFFAOYSA-N 276.428 3.604 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(SCC#N)c1 357165388 XUPBPNDDMJNVKG-TZMCWYRMSA-N 288.416 3.705 30 20 CHED C[C@@H](CCC#N)N(C)CCCOc1cccc(Cl)c1 351618810 KFTKSGZDQPEUKG-ZDUSSCGKSA-N 280.799 3.733 30 20 CHED C=CCC[C@H](N[C@@H]1CN(CC)C[C@@H]1C)c1ccccc1 358324543 BTTOENZYTPCXFM-RYQLBKOJSA-N 272.436 3.624 30 20 CHED Cc1c(-c2noc(-c3cc(C#N)c[nH]3)n2)oc2ccccc12 445499735 BVTRBHZBOZTQJT-UHFFFAOYSA-N 290.282 3.658 30 20 CHED C=C(C)CCNCc1cnc(-c2ccsc2)s1 449475123 KKDVJSKEZJLAID-UHFFFAOYSA-N 264.419 3.927 30 20 CHED C=C1CCN(c2nnc(C3CCCC3)n2CC2CC2)CC1 612761291 VYLUFKPUWQXBKI-UHFFFAOYSA-N 286.423 3.502 30 20 CHED CN1C(=O)CCN(CCCCC(C)(C)C#N)c2ccccc21 618287188 SPDWNXGOBOTEGM-UHFFFAOYSA-N 299.418 3.580 30 20 CHED C=CCCCN(C)C(=O)Nc1c(F)ccc(OCC)c1F 534780944 JYMJGPHWGAMJDW-UHFFFAOYSA-N 298.333 3.793 30 20 CHED CC[C@](C)(C#N)C(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 367738100 RNZIOKZPRFKTFQ-YXJHDRRASA-N 284.403 3.639 30 20 CHED C[C@H](NCC(C)(C)C1(O)CCCC1)c1cccc(C#N)c1 453388694 QUCOJCUCYRAFEY-AWEZNQCLSA-N 286.419 3.540 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 617783116 UKZHSFAPCMVBRB-RBSFLKMASA-N 289.444 3.975 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1Cl 453365162 SANITOLWIVTDFS-GLQYFDAESA-N 265.784 3.724 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 613304450 CRNKTVIWLCWQGS-SJORKVTESA-N 271.404 3.680 30 20 CHED C=CCC1(C(=O)Nc2cc(O)cc(OC)c2)CCCCC1 450727262 XLJAKOZVDDZZHF-UHFFFAOYSA-N 289.375 3.866 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2)ccc1CN(C)C 459745306 SKABRWBISHVHOC-UHFFFAOYSA-N 279.387 3.540 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(C(CC)CC)no1 452777434 UXQSMHLRVQZPMJ-UHFFFAOYSA-N 264.369 3.520 30 20 CHED CCc1cccc2c1OCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 618571741 UEEBWQHZXDHSDO-UNEWFSDZSA-N 284.403 3.745 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)N(C)CC(C)(C)C#N)c1 458369879 SAOPPLJUXZPPOD-AWEZNQCLSA-N 287.407 3.556 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618819179 DZQLLSYQRIMDHW-OGHNNQOOSA-N 299.418 3.669 30 20 CHED C=CCC1(CN[C@@H]2C[C@H](C)n3ccnc32)CCCC1 453387898 WESJGQPGRHXAKK-UONOGXRCSA-N 259.397 3.615 30 20 CHED N#CCc1cccc(-c2nc(-c3ccccc3F)no2)c1 546297334 KTHQWJZDJLMGTL-UHFFFAOYSA-N 279.274 3.609 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc([C@@H](F)c2ccc(Cl)cc2)no1 453186231 TZVMFONTPVADJZ-YKHWKNEFSA-N 291.713 3.583 30 20 CHED CC(C)Oc1ccc([C@H](C)NCC2(C#N)CCC2)cc1 450669273 PQEVUPNRIBCLDR-AWEZNQCLSA-N 272.392 3.818 30 20 CHED CC[C@@H](NC[C@](C)(O)c1ccccc1)c1ccc(C#N)cc1 278383264 DHESUXPEHLCSOC-MOPGFXCFSA-N 294.398 3.507 30 20 CHED CC1(C)CC(CNCc2cccc(OCCCC#N)c2)C1 548045375 KHWFZMAMKZPEOI-UHFFFAOYSA-N 286.419 3.895 30 20 CHED Cc1csc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1Cl 276696042 VXDCJKYNKRMKCM-LKFCYVNXSA-N 296.823 3.912 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](c1cccs1)C1CC1 457558426 CIYHRLCMUNRLPS-CYBMUJFWSA-N 278.421 3.711 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H]1c1cccc(OCC)c1 540532651 MLLATYFAHGERJM-ROUUACIJSA-N 299.414 3.826 30 20 CHED C=CCCOCCCCC(=O)N1CCCC[C@H]1CCC 542589214 BPZRFVQNISJWFF-MRXNPFEDSA-N 281.440 3.931 30 20 CHED C=C(C)CCNC(=O)c1cc(C)c(C)cc1Cl 452720398 WRLKFFGNKLAEMG-UHFFFAOYSA-N 251.757 3.653 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 547956052 YCYIVRPVFYDJRT-ZETOZRRWSA-N 290.794 3.766 30 20 CHED C=C(CC)CN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C 453337280 AISUHMYNWHJEHI-AWEZNQCLSA-N 284.407 3.501 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)ccc1Cl 464166108 XIUZKOIASIFAKJ-HNNXBMFYSA-N 278.783 3.707 30 20 CHED C=CCC[C@H](NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)C1CC1 540162689 IMUZWGICXXJSJK-ZSYWTGECSA-N 267.416 3.907 30 20 CHED CC(C)COc1ccccc1-c1noc(C2(C#N)CCC2)n1 273774089 QFYGQIDITQJGDK-UHFFFAOYSA-N 297.358 3.717 30 20 CHED CC#CCSc1nnc(Nc2ccc(C)cc2)s1 463027869 JNOLBAUHQXYOHQ-UHFFFAOYSA-N 275.402 3.706 30 20 CHED C=CCC1(NC(=O)c2scnc2C(C)C)CCCC1 622960024 WAGSRTPQOXCAKS-UHFFFAOYSA-N 278.421 3.885 30 20 CHED CC(C)(C#N)CNCc1ccc(C2CCCC2)cc1 462905057 YWEYHPWOEHTIQA-UHFFFAOYSA-N 256.393 3.984 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2cc(C)c(C)o2)c1C 281739113 BDOFBDLFEPQUJZ-BQYQJAHWSA-N 272.348 3.626 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@H](C)c1cccc(C#N)c1)CO2 376164685 FXRQEAQRPRZOBE-CXAGYDPISA-N 278.355 3.651 30 20 CHED CC(C)(C#N)CC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 377306174 UMNDQDSYYOHEOG-LPHOPBHVSA-N 296.414 3.854 30 20 CHED CC1(C)CCC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 467880734 OTXAUICNRBBTIV-INIZCTEOSA-N 296.414 3.675 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@@H]1Cc1ccccc1 468815134 DGYJOOBVAUUAHK-GOSISDBHSA-N 280.346 3.514 30 20 CHED N#Cc1cc[nH]c(=N[C@H]2CCCCc3ccccc32)c1Cl 557570593 OYOUDCDDNJENJC-HNNXBMFYSA-N 297.789 3.908 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 280670781 PTPNQXJSYOUJCZ-NVXWUHKLSA-N 294.354 3.526 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCCCC2)O1 467199601 CCXMZPBLCGCJQY-GOSISDBHSA-N 298.430 3.872 30 20 CHED CC(C)c1ccoc1C(=O)N1CCCC(C)(C)[C@H]1C#N 283806293 ALWADIQIKORXQU-CYBMUJFWSA-N 274.364 3.557 30 20 CHED CC(C)[C@H](C)N(C(=O)[C@@H](C)c1cccc(C#N)c1)C1CC1 463394286 QIEGDMGNNYTIRP-KBPBESRZSA-N 284.403 3.697 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(C#N)cs2)C1 286337433 LURXSXOUTUWCJC-DOMZBBRYSA-N 296.395 3.843 30 20 CHED C=CCC[C@H](CCC)NCc1ccc2cnn(C)c2c1 558651115 ALQKICWEAQKDBE-INIZCTEOSA-N 271.408 3.798 30 20 CHED C=C(C)CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 280817339 UMZOGVSBKKETME-GFCCVEGCSA-N 293.716 3.558 30 20 CHED C=CCCN(C)Cc1csc(-c2ccc(F)cc2)n1 467293896 QKQDPUCGEUKCLF-UHFFFAOYSA-N 276.380 3.957 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1cnc(C)s1 633153803 NGIRCTLANFCYRX-QWRGUYRKSA-N 281.425 3.557 30 20 CHED C=C(CNCCCc1cnccc1C)c1ccccc1 289208372 IJCDHCVQXCJVER-UHFFFAOYSA-N 266.388 3.626 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(C#N)C1CCCCC1 554734204 CNKGNEBGSXBJEQ-KXBFYZLASA-N 298.430 3.844 30 20 CHED CCC1(CC)CCCN(C(=O)c2ncc(C#N)cc2C)CC1 552005495 VKOJYRCYCZCOKD-UHFFFAOYSA-N 299.418 3.694 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NCc1ccc(C#N)cn1 554078370 IJPOHFRGOSJYLA-DOTOQJQBSA-N 271.408 3.648 30 20 CHED COc1ccc([C@H](Cc2ccc(F)cc2)N[C@H](C)C#N)cc1 299291979 UMEUNLDSHJLZFD-ACJLOTCBSA-N 298.361 3.620 30 20 CHED C=CCC(C)(C)C(=O)NCc1coc(-c2ccc(C)cc2)n1 292874776 SDMKSVTVNUPZTH-UHFFFAOYSA-N 298.386 3.869 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1cc(F)cnc1Cl 295103178 KQOYJATVGQVCNH-UWVGGRQHSA-N 256.752 3.564 30 20 CHED CSCc1cccc(Nc2nc(C)ccc2C#N)c1 553055751 ZKKQSXGSYFZUBG-UHFFFAOYSA-N 269.373 3.868 30 20 CHED C=CCCC1(C(=O)NCc2ccc(OCCC)cc2)CC1 474901308 SGLTUGNJPVUYIP-UHFFFAOYSA-N 287.403 3.838 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(C)c(C)cc1Cl 297495548 UGGMRQLTALUEIH-UHFFFAOYSA-N 279.771 3.724 30 20 CHED C=CCCCCCN(C)C(=O)NC1(C(F)(F)F)CCC1 640063024 ZSYVGOLOYYXWIJ-UHFFFAOYSA-N 292.345 3.859 30 20 CHED COc1ccccc1C[C@H](C)N(C)c1cccc(F)c1C#N 387810620 RCRLXUMYZWLIET-ZDUSSCGKSA-N 298.361 3.773 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1c1ccc(C#N)nc1 294965849 NUPZULPFAMUZTP-AXFHLTTASA-N 283.297 3.509 30 20 CHED C=CCCO[C@H](C)C(=O)N(Cc1cccc(F)c1)C(C)C 299302138 KLJMMBPLINGQQX-CQSZACIVSA-N 293.382 3.544 30 20 CHED C=CCC1(c2nc(-c3ncncc3C)no2)CCCCC1 565287398 HMYIBGKXKTZIHJ-UHFFFAOYSA-N 284.363 3.613 30 20 CHED CC(C)(C)[C@H]1CCC1=NNc1ccc(C(=O)O)cc1 807940442 VZTHAGZRCHRBFJ-LBPRGKRZSA-N 260.337 3.609 30 20 CHED C=CCN(C(=O)NCc1c(F)cccc1SC)C(C)C 807426566 ZZMFJFOKPDTPII-UHFFFAOYSA-N 296.411 3.654 30 20 CHED C=CCCCCS(=O)(=O)Cc1cc(C)cc(C)c1 569790845 FOGPJDCFIYKOPB-UHFFFAOYSA-N 266.406 3.575 30 20 CHED C[C@H](NCCCC(C)(C)C#N)[C@H]1OCCc2sccc21 292570483 ZXZHRQYGWCHXEZ-SWLSCSKDSA-N 292.448 3.670 30 20 CHED N#Cc1ccnc(N[C@H]2CCCc3sc(Cl)cc32)n1 295660933 IBVLTIZBWLZYKB-JTQLQIEISA-N 290.779 3.553 30 20 CHED Cc1ccc(C[C@H]2CCCN(c3ccc(C#N)nc3)C2)cc1 562343099 NNHASHBPSVILSX-QGZVFWFLSA-N 291.398 3.721 30 20 CHED C=CCCCCNC(=O)[C@@H](Cc1ccccc1)C(C)C 471717601 ZNRSSTRPXDGTCP-KRWDZBQOSA-N 273.420 3.974 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)CSc1ccc(C)cc1 472877611 QPDIPBZKTRCXBP-ZIAGYGMSSA-N 292.448 3.739 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1cc2cccc(F)c2o1 475694591 NISXMOVBSXTQHC-WCQYABFASA-N 277.339 3.550 30 20 CHED CC(C)(C#N)CC(=O)Nc1nc2c(s1)CCCC2(C)C 291772138 DUAYKIGZGDLGQT-UHFFFAOYSA-N 291.420 3.635 30 20 CHED CC(C)C[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 560707411 POHADNONQKKENE-QGZVFWFLSA-N 299.462 3.501 30 20 CHED C=C(CNc1nnc(C)cc1C(F)(F)F)c1ccccc1 808074123 YTILFYOAASVXFY-UHFFFAOYSA-N 293.292 3.929 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@H](C)c1ccccc1F 804831871 CNWWOGYJNLLVRO-OAHLLOKOSA-N 295.357 3.591 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCC1Cc3ccccc3C1)CC2 565804549 ZMEHQDHUCGFTQR-HXUWFJFHSA-N 288.394 3.550 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2ccc(C)cc2)CC1 474689081 DNHFLZHFLOOTCP-CQSZACIVSA-N 257.377 3.919 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](C)c1c(C)noc1C 805113567 XUURKEHEDOSFHC-LBPRGKRZSA-N 293.411 3.788 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)CCC(C)C 481746326 PYTSTAKPYTXSMQ-SFHVURJKSA-N 288.435 3.567 30 20 CHED COc1ccc(C(C)=NOC2CCC2)c(Br)c1 812238051 KWFQLUVJCXRZEF-UHFFFAOYSA-N 298.180 3.751 30 20 CHED C=CC[C@@H](NCc1cccc(O)c1Cl)c1ccncc1 815124498 AYWQVEUJFATBHW-CQSZACIVSA-N 288.778 3.848 30 20 CHED CC(=NNc1nccnc1Cl)c1nccc2ccccc12 811643623 IEWUUMUYHVWTMV-UHFFFAOYSA-N 297.749 3.514 30 20 CHED CN(CCCCc1ccccc1)C(=O)c1ccc(C#N)s1 486754510 PYGXYQRDIDAEFG-UHFFFAOYSA-N 298.411 3.715 30 20 CHED C/C(=C/C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 813258886 LKRDIMCPJQZXID-XFXZXTDPSA-N 280.302 3.739 30 20 CHED C=CCN(C(=O)CCc1ccccc1OC)c1ccccc1 484227629 BXHPSSOAPSSJMZ-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C=CCN(C)C(=O)N[C@@H](CCC(C)C)C(C)(C)C 488983951 QDRVHFAFWFGQNN-ZDUSSCGKSA-N 254.418 3.665 30 20 CHED CC(C)(C)C1CCC(OC(=O)CCCC#N)CC1 812824660 BHWNBBHFNOZONH-UHFFFAOYSA-N 251.370 3.828 30 20 CHED C[C@@H]1CCC(=NNc2ncnc3c2oc2ccccc23)C1 814774348 WFYONSAKUWGWIQ-SNVBAGLBSA-N 280.331 3.964 30 20 CHED Cc1cc(Cl)cc(C=NNCCC(F)(F)F)c1 814920120 APZQANAPDQYQSM-UHFFFAOYSA-N 264.678 3.524 30 20 CHED CC(=NNc1nnc(-c2ccccc2)s1)c1occc1C 814948703 AVRCARALIMFQAD-UHFFFAOYSA-N 298.371 3.943 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(F)c1 488841937 JPGDBXMSALXYOD-NSHDSACASA-N 267.731 3.660 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@H](CCCC(=O)OC)C1)C(C)(C)C 816612325 MCXQATMWFVQALS-OAGGEKHMSA-N 293.451 3.526 30 20 CHED C=CCOc1ccc(CN2CC(C(F)F)C2)cc1Cl 656691006 TWNWOAXHMCRUSP-UHFFFAOYSA-N 287.737 3.602 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)n1)c1ccc(Cl)cc1 810540335 JJWVOWPJTBQLRA-JTQLQIEISA-N 286.718 3.525 30 20 CHED C=CCC1(CNC[C@@H](O)c2ccccc2F)CCCC1 819353203 ARSKURROLYMVBX-MRXNPFEDSA-N 277.383 3.585 30 20 CHED N#CCCCC(=O)OCc1csc(-c2ccsc2)n1 812616881 UFGMOPHWPPWBGR-UHFFFAOYSA-N 292.385 3.609 30 20 CHED CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CC(C)(C)C#N 480941273 LJGHIUCNJVLYDP-UHFFFAOYSA-N 288.435 3.601 30 20 CHED COc1cc(Cl)ccc1C(C)=NO[C@H]1CCCCO1 817326000 JMKTZDNARNOJGP-AWEZNQCLSA-N 283.755 3.616 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2cccc(C)c2)no1 571202848 QPECKKXWQBRCGD-MRXNPFEDSA-N 256.349 3.823 30 20 CHED C=CCCCCCSCc1nnc(C2CC2)o1 575806729 HUQRYNYNFLGNDY-UHFFFAOYSA-N 252.383 3.927 30 20 CHED C1CCN(CCNN=C2CCCCC23CCCC3)CC1 814809189 ZYVGUYGGAJOMQJ-UHFFFAOYSA-N 277.456 3.552 30 20 CHED COc1ccccc1CON=C(C)Cc1ccc(O)cc1 814924005 SRDDYRVMBSPVBR-UHFFFAOYSA-N 285.343 3.536 30 20 CHED C#CCN(C)CCCN[C@H](C)c1ccc(-c2ccccc2)o1 815651722 BFRWZUWXPFEFHQ-MRXNPFEDSA-N 296.414 3.552 30 20 CHED C[C@H](NN=C1CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C)C(C)(C)C 814937909 RPHKJENXPDWPQJ-WOPDTQHZSA-N 282.428 3.524 30 20 CHED C=C[C@H](CC(=O)N1CCCC[C@H]1C=C)c1ccccc1 488823418 YGYAKCCIALJFSN-NVXWUHKLSA-N 269.388 3.913 30 20 CHED CC(=NOC/C=C\Cl)c1nccc2ccccc12 811668675 JAGFUAOJVBQQLI-DNUSIXGJSA-N 260.724 3.728 30 20 CHED CC(C)CCC1CCN(Cc2cc(C#N)n(C)c2)CC1 483271769 SKMJDPVXUVMCPU-UHFFFAOYSA-N 273.424 3.545 30 20 CHED C[C@H](Cc1ccsc1)N1CCCC(C)(C)[C@H]1C#N 570664853 CDYXSAFHCMVDGX-TZMCWYRMSA-N 262.422 3.693 30 20 CHED CC(=NOC1CCCCC1)c1csc(C(=O)O)c1 814910613 YWUANFAOZNZJEZ-UHFFFAOYSA-N 267.350 3.520 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(N(C)C)c(F)c2)ccc1O 728231575 LSTUIFJPFWOUDJ-VMPITWQZSA-N 299.345 3.802 30 20 CHED CCCCC[C@@H]1CCCN1CCCSCC#N 486815230 YLTHCZUYVLIZFG-CQSZACIVSA-N 254.443 3.678 30 20 CHED CC(C)N(CCC#N)CCSCc1ccccc1 571500787 PPUYZRUNUFGDNF-UHFFFAOYSA-N 262.422 3.544 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CCO1 579891121 CBQRTQJXHSTWKI-SZMVWBNQSA-N 298.430 3.729 30 20 CHED C[C@H](C[C@@H](O)c1cccs1)NC1CCC(C)(C#N)CC1 824066905 YBBAZGMAJVEPTQ-ILTLLKDXSA-N 292.448 3.622 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@@](C)(F)C2)c1 499574135 CCIURGJELREMCP-MRXNPFEDSA-N 292.354 3.607 30 20 CHED CC(C)(CNCCC#N)c1c(Cl)cccc1Cl 571908902 KQVBEZLKHWBISA-UHFFFAOYSA-N 271.191 3.774 30 20 CHED COc1ccc(/C=C2/Cc3c(C)cccc3C2=O)cc1 729148948 BSSOSXOSAWSRMB-UVTDQMKNSA-N 264.324 3.826 30 20 CHED C=CCC1(NC2CC(C)(c3ccccc3)C2)CCOCC1 668551740 VMMIHIJABTYUAG-UHFFFAOYSA-N 285.431 3.822 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 729068886 INKZUPWPADGBKC-ZDUSSCGKSA-N 276.376 3.871 30 20 CHED C=CCC1(NCc2c(CC)nn(C)c2CC)CCCC1 668625003 DZTNETKQSAUHPF-UHFFFAOYSA-N 275.440 3.523 30 20 CHED CC(=NNC1CCCC1)c1cc(C)ccc1OC(F)F 727651941 DTIVUOADBLCCTB-UHFFFAOYSA-N 282.334 3.853 30 20 CHED C#Cc1cccc(NC(=S)NNc2ccccc2CC)c1 726457016 KBJVYFMEJNUOKB-UHFFFAOYSA-N 295.411 3.544 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@H](C)c1ccccc1 908635161 FPPLUHHXWGAZOB-RDJZCZTQSA-N 299.414 3.707 30 20 CHED C=CCCC[C@H](N)c1nc([C@H]2CCc3ccccc3C2)no1 904613988 BYUQZSDUGDRRNP-HOTGVXAUSA-N 297.402 3.698 30 20 CHED CC[C@H]1Cc2ccccc2CN1C(=O)CCCCCC#N 588684498 CQUVRWLHSRFWRZ-KRWDZBQOSA-N 284.403 3.824 30 20 CHED C[C@@H](CC(=O)OCCCCC#N)c1ccc(F)cc1 733521283 GATSVAUSQOGFFL-LBPRGKRZSA-N 263.312 3.556 30 20 CHED C=C(C)CNc1ccccc1NC(=O)C[C@@H]1C=CCC1 730440068 HCCDDKZPOLTNDQ-CQSZACIVSA-N 270.376 3.969 30 20 CHED CCOCCC1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCCC1 839050684 BRRAMQFZLFWQHL-LSDHHAIUSA-N 293.407 3.599 30 20 CHED O=C(c1ccc(Cl)cc1F)N(O)Cc1ccc(F)cc1 901376870 YYMGUZACZODCDM-UHFFFAOYSA-N 297.688 3.650 30 20 CHED CON=Cc1ccc(C(=O)OCc2c(C)cccc2C)cc1 738565747 JCLBVJOPLPOCER-UHFFFAOYSA-N 297.354 3.641 30 20 CHED CCCSCC(C)=NNc1cccc(OC)c1 901158361 FQOPUMBWQREIEK-UHFFFAOYSA-N 252.383 3.626 30 20 CHED Cc1cccc(NN=Cc2c[nH]c3ccc(C(=O)O)cc23)c1 738736818 XAYJOVDBPDVUOC-UHFFFAOYSA-N 293.326 3.621 30 20 CHED c1ccc(CCNN=C2CCCC23CCCCC3)nc1 834976898 POUJCGWQBKIRAB-UHFFFAOYSA-N 271.408 3.704 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)C1(C2CCCCC2)CC1 905978873 RWYAHYPSYWKVKU-UHFFFAOYSA-N 296.414 3.877 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(C2CC2)cc1 908666485 SMFSISOCGOUCSX-KRWDZBQOSA-N 297.398 3.704 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 734985483 FMTZPOSEHKNMGV-GFCCVEGCSA-N 278.421 3.725 30 20 CHED C=CCC[C@@H](NCc1nn(C)c2ccccc12)c1ccco1 671760787 WRLSHOXQYPGWQT-OAHLLOKOSA-N 295.386 3.963 30 20 CHED COc1ccc2ccccc2c1CNN=C[C@@H]1C[C@H]1C 835007135 PMZSEKGEYMMTLM-OCCSQVGLSA-N 268.360 3.580 30 20 CHED COc1ccc(C(C)=NNc2cc(C)cc(C)c2)c(O)c1 916346420 AGFONPGHGPUBIX-UHFFFAOYSA-N 284.359 3.854 30 20 CHED CC(=NNC(=S)NC(C)(C)C)c1ccc2ccccc2c1 916343918 NUEQQIVEPHQASZ-UHFFFAOYSA-N 299.443 3.826 30 20 CHED CCC(COC)=NNC(=S)Nc1ccc(C(C)C)cc1 735970684 LORAUWJCXCQFII-UHFFFAOYSA-N 293.436 3.509 30 20 CHED N#C[C@@H](Sc1nnc(C2CC2)s1)c1ccccc1 594895407 KFNZTKPAPPXBGD-LLVKDONJSA-N 273.386 3.772 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H](F)CC2CCCCC2)C1 839060901 ZORHMQKUOAVWKC-KFWWJZLASA-N 281.371 3.920 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1ccccn1 918136290 PCOGKLVNQVYJIP-OAHLLOKOSA-N 291.439 3.877 30 20 CHED CC[C@@H]1CCCC[C@@H]1OCC(=O)O[C@@H]1CCC[C@H](C#N)C1 839048913 DBSCDEVSJNLAHG-JJXSEGSLSA-N 293.407 3.597 30 20 CHED CON=C1CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 834939073 YZRBSJZGZHZNGA-GXTWGEPZSA-N 296.411 3.579 30 20 CHED CCN(Cc1coc(-c2cccc(Cl)c2)n1)[C@@H](C)C#N 595812401 KKOQYLBMEMWZOC-NSHDSACASA-N 289.766 3.729 30 20 CHED C=C(C)CNC(=S)Nc1ccc(OC(C)C)c(C)c1 741500374 PMXJCDHOJBYYCB-UHFFFAOYSA-N 278.421 3.645 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1ccc(F)cc1F 744071936 XPPMSCJIXLKCOH-LLVKDONJSA-N 284.302 3.552 30 20 CHED N#C[C@H](C(=O)CC1CCCC1)c1ccc2ccccc2n1 916848786 GXGTXJJZIVMHFE-HNNXBMFYSA-N 278.355 3.991 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCCc1ccc(SC)cc1 592609218 JAUNCJLMHWJQIP-INIZCTEOSA-N 290.432 3.540 30 20 CHED C=CCNC(=S)N[C@H](c1cccc(C)c1)C(C)(C)C 749828446 LGJAYOBGDYNCIL-CQSZACIVSA-N 276.449 3.732 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(F)cc1OC1CCCC1 593537610 GOJWVPCBAYLWEZ-NSHDSACASA-N 290.338 3.635 30 20 CHED Clc1ccccc1NN=Cc1cnc2ccccc2n1 744563727 YMPSSQAVHPNXLX-UHFFFAOYSA-N 282.734 3.729 30 20 CHED N#C[C@H](N[C@@H](c1ccccc1)C1CC1)c1ccccc1 595425428 RVZFXEPWYCVQRC-ROUUACIJSA-N 262.356 3.992 30 20 CHED CCc1ccc(N(CC)C(=O)c2ccc(C#N)cc2)cc1 914517358 XCUVKDOUUYUWDM-UHFFFAOYSA-N 278.355 3.787 30 20 CHED C[C@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)CC[C@H]1C 592010576 VYHHDHMJPRZEGI-IJEWVQPXSA-N 291.439 3.536 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CSCCCC 918169239 CLPCQOUVHMBXBF-UHFFFAOYSA-N 295.423 3.874 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCc3ccccc3C2)cc1 745843491 LPNUWIRMJMTPGY-UHFFFAOYSA-N 281.315 3.552 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H](C)SC 917871145 LAMSMNKVEPICCR-STQMWFEESA-N 259.459 3.851 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)OCCCCC#N 740266297 GTJXHVUNYNKRKK-INIZCTEOSA-N 273.376 3.738 30 20 CHED CCC[C@@H](NCCc1ccc(C#N)cc1)c1cccnc1 595056744 VQRQFKPCZMVMCP-GOSISDBHSA-N 279.387 3.627 30 20 CHED Fc1cc(F)c(NN=Cc2ccc(Cl)nc2)cc1F 748788032 KSZJQURTZZYAQX-UHFFFAOYSA-N 285.656 3.598 30 20 CHED COc1ccc(C)cc1/C=C1\Oc2cc(O)cc(C)c2C1=O 915988812 IBNKMZUXWHOCNY-PXNMLYILSA-N 296.322 3.634 30 20 CHED CC(C)c1cccc(NC(=N)NCC(C)(C)CC#N)c1 849040778 SIYCAUGPCPCSCG-UHFFFAOYSA-N 272.396 3.686 30 20 CHED Cc1c(NN=C2CCC(C)(C)C2)cccc1C(=O)O 844625226 WWHHDCFRHFMZKM-UHFFFAOYSA-N 260.337 3.671 30 20 CHED COCCON=Cc1ccc(-c2ccc(C)cc2)s1 748789383 GMAMZHHFMLIGBN-UHFFFAOYSA-N 275.373 3.720 30 20 CHED CCOc1ccc(NCCOc2cccc(C#N)c2)c(C)c1 742258771 GGOJABZFAYFUGV-UHFFFAOYSA-N 296.370 3.756 30 20 CHED C[C@H](NC(=O)CC(C)(C)C1CC1)c1cccc(C#N)c1 590286449 XUJRKFZSQIYMKS-LBPRGKRZSA-N 270.376 3.562 30 20 CHED Cc1cc(NN=Cc2cccn2C)nc2ccc(Cl)cc12 916542945 CNKFWIXEGJRJQU-UHFFFAOYSA-N 298.777 3.981 30 20 CHED C[C@@H]1CN([C@H](C#N)c2ccccc2)[C@H]1c1ccccc1 595340597 CSBGVMMAEVIFOB-ZTFGCOKTSA-N 262.356 3.944 30 20 CHED C/C(=C\Cl)CSCCc1ccc(C#N)cc1 849895165 HTSJDQZQDUWNAQ-DHZHZOJOSA-N 251.782 3.977 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1CCCOc2ccccc21 749748723 LEFZPMKQQKZTPF-UZUMKDMXSA-N 297.354 3.734 30 20 CHED Cc1cc(NN=Cc2ccccn2)ccc1Br 920478708 CZULMSSTVJKOSX-UHFFFAOYSA-N 290.164 3.599 30 20 CHED Cc1cc(C)cc(C=NNc2ccccc2[N+](=O)[O-])c1 921254173 SWXHHKRDJOYIRR-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CC(CC1CCC1)=NNc1cccc(C(=O)O)c1C 844625224 WQJXPBPJSSQTNF-UHFFFAOYSA-N 260.337 3.671 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H](CC)CC1)c1ccccc1 757763213 PNHNSCITFUSKCH-WMZOPIPTSA-N 298.430 3.973 30 20 CHED CCOc1cccc2cc([C@@H](C)NC(=O)C#CC(C)C)oc12 854287608 IALVCPIXWNCYCY-CYBMUJFWSA-N 299.370 3.668 30 20 CHED CC[C@H](CC(=O)N1CCC[C@H](C#N)C1)c1ccc(C)cc1 928220487 IFMNIGFZRONAHA-HZPDHXFCSA-N 284.403 3.641 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc(F)cc1F 924544937 LJWYDYSKPXCZRH-GHMZBOCLSA-N 266.335 3.944 30 20 CHED CCc1cccc2c1OCC[C@H]2N[C@H](C)CC(C)(C)C#N 925361360 OEJHNKYQCOHJTK-CZUORRHYSA-N 286.419 3.991 30 20 CHED C=C[C@@H](OC(=O)C[C@@H](C)SC)c1ccccc1 851452148 PDTARNVRRVJHSZ-DGCLKSJQSA-N 250.363 3.599 30 20 CHED C#CCCCC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 757871143 KOCXSQUUNVOLQW-CABCVRRESA-N 263.425 3.759 30 20 CHED C[C@@H]1CCCCN1N=Cc1coc(-c2ccccc2)n1 853378661 APTVWQVZPCRELY-CYBMUJFWSA-N 269.348 3.550 30 20 CHED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1sccc1O 756624289 XQCNDTVEIGFVHC-OWOJBTEDSA-N 284.258 3.767 30 20 CHED CCOc1ccc(Cl)cc1C(C)=NOCC(F)F 758902683 HJJBLYKTSSPIRU-UHFFFAOYSA-N 277.698 3.744 30 20 CHED N#Cc1cc(COC(=O)c2c[nH]c3ccccc23)ccc1F 758927583 NPWSFLLJIYUSAE-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C=C(C)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 755997507 TVQKGGQHVFEHLG-VIFPVBQESA-N 291.328 3.931 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1cnn(-c2ccccc2)c1 755591260 SKOFLBFZPMZNCP-KHPPLWFESA-N 299.333 3.640 30 20 CHED Cc1cc(C)cc(C=NNc2nc3ccccc3n2C)c1 921257946 BJORKEKAFOZDBP-UHFFFAOYSA-N 278.359 3.636 30 20 CHED C=C(C)[C@H](CC(=O)N[C@](C)(CC)c1ccccc1)OCC 755884139 SDGUVEGXNHZGJO-FUHWJXTLSA-N 289.419 3.799 30 20 CHED C=CCCCCCCNC(=O)c1cc(COC)cs1 854451529 CQLDDHUVJRTDIX-UHFFFAOYSA-N 281.421 3.761 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1ccccc1Cl 756842214 MFYGDXJJFWBXGL-UHFFFAOYSA-N 280.158 3.646 30 20 CHED C=CCOc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851211234 BYJNESVMOVQUFO-CYBMUJFWSA-N 287.359 3.737 30 20 CHED C#C[C@H](CC)NC(=O)c1cccc(NCC(C)(C)C)c1C 754357956 RFLLMZHJUMAUHX-CQSZACIVSA-N 286.419 3.595 30 20 CHED C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1cccnc1 754898054 BSOGOHYSRMJYPM-SNVBAGLBSA-N 286.718 3.525 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1ccc(F)cc1O 757476981 WFMREDLBFSNEGJ-QHHAFSJGSA-N 278.229 3.706 30 20 CHED C#CCCOC(=O)C1(c2c(Cl)cccc2Cl)CC1 759545607 DSNKDEMNKNOTET-UHFFFAOYSA-N 283.154 3.592 30 20 CHED CC(=NNC1CC1)[C@H](C)Oc1ccc(Cl)cc1Cl 758134150 YBOVZWKVOVQLGP-VIFPVBQESA-N 287.190 3.889 30 20 CHED CS/C=C\C(=O)N1CCCSC1=Nc1ccccc1 764221825 FZXYLOFCSVUKMI-VXMQHADHSA-N 292.429 3.516 30 20 CHED C=CCCCOC(=O)[C@H](CC)OC1CCCCC1 761241536 OFRMINQFELABHD-AWEZNQCLSA-N 254.370 3.624 30 20 CHED C=CC[C@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccncc1 766018203 GJZAVRKZCNFXEH-KDOFPFPSSA-N 294.398 3.985 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C1CCCCCCC1 766579328 JUSNEEVLXQHYCL-MRXNPFEDSA-N 264.413 3.791 30 20 CHED Cc1cc(Cl)ccc1COC(=O)c1cc(C#N)cs1 769112439 DAUBFYOPPLXZBK-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C#C[C@@H](OC(=O)CC1(CSC)CC1)c1ccc(C)cc1 860961344 HULKZHHYYZIQBB-OAHLLOKOSA-N 288.412 3.746 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2nc(O)c3ccccc3n2)C1 768365730 BRBSWBIFPKKQKF-NWDGAFQWSA-N 284.363 3.559 30 20 CHED Clc1oc2ccccc2c1C=NO[C@@H]1CCCCO1 761274484 VVBALEDBHFSXEE-CYBMUJFWSA-N 279.723 3.963 30 20 CHED CCc1nc2ccccc2n1N=C[C@@H]1CC=CCC1 767359223 GPFNNORPCUUSDD-CYBMUJFWSA-N 253.349 3.789 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cccc(F)c1Cl 860198374 SQXMKWVEGLZPJY-UHFFFAOYSA-N 283.730 3.852 30 20 CHED CCCCCCCC(=O)N[C@H](C)Cc1cccc(O)c1 769427427 ABEXYGTZGIXBKB-CQSZACIVSA-N 277.408 3.800 30 20 CHED C=C1CCN(C(=O)Nc2cc3[nH]ccc3cc2C)CC1 931011542 WHVDWXUFMPBEPG-UHFFFAOYSA-N 269.348 3.660 30 20 CHED C#C[C@@H](OC(=O)COC1CCCCC1)c1ccc(C)cc1 860966696 ZNAMCPVHKSHPHB-QGZVFWFLSA-N 286.371 3.562 30 20 CHED C#CCCOC(=O)c1c[nH]cc1-c1ccc(Cl)s1 765460692 QJZPKCGOBZLOIA-UHFFFAOYSA-N 279.748 3.577 30 20 CHED CN(CC(C)(C)C#N)c1ccc([N+](=O)[O-])cc1C(F)F 865829605 CWLMVJKBQSDSTF-UHFFFAOYSA-N 283.278 3.518 30 20 CHED Cc1cc(C)c(C=NNc2ncc(Cl)cc2Cl)[nH]1 760236436 WROAXJBUNZPBOJ-UHFFFAOYSA-N 283.162 3.779 30 20 CHED C#CCCCCN[C@@H](CC)c1cccc(OC)c1OC 866305248 PKAMJWDRYWWLAE-HNNXBMFYSA-N 275.392 3.548 30 20 CHED C=CCCCOC(=O)c1ccc2nc(C)sc2c1 763497921 KLCRNDDRFMBIST-UHFFFAOYSA-N 261.346 3.728 30 20 CHED CC(C)SCC(=O)OCc1ccccc1C(C)(C)C#N 767999203 FTEXURWIWGQRRM-UHFFFAOYSA-N 291.416 3.673 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2C(C)(C)C)cc1 769315829 WQRXSUAUYVUWDW-PBHICJAKSA-N 286.419 3.988 30 20 CHED C#CCN(CC)C(=O)C1(c2ccc(F)cc2)CCCCC1 764210614 RUKSLSNOOQWLHW-UHFFFAOYSA-N 287.378 3.509 30 20 CHED C#CCOc1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1 769506181 CZLIPJIOISQLRP-LJQANCHMSA-N 295.357 3.785 30 20 CHED C#CCN(C(=O)CSc1ccc2ccccc2c1)C1CC1 763791539 VGFYDJRVBQZCJW-UHFFFAOYSA-N 295.407 3.556 30 20 CHED CCOc1ccc(CN(CCC#N)CCC(C)C)c(O)c1 769335982 ZOXPDJHOPNBGLY-UHFFFAOYSA-N 290.407 3.553 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2c(C)cccc2C1 776787850 WBSFHSFQAGSKTM-UHFFFAOYSA-N 276.383 3.733 30 20 CHED C[C@H]1CCC[C@H](COC(=O)c2cc(C#N)cs2)C1 770996095 CTJGHFSOOCTAHG-QWRGUYRKSA-N 263.362 3.603 30 20 CHED CC1CC(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)C1 877889912 RWYBVNHGZYTBRO-UHFFFAOYSA-N 286.762 3.573 30 20 CHED CCN(C)c1ccccc1CN[C@H](C)c1ccc(C#N)cc1 776159212 VZCTYMPAEKTQMY-OAHLLOKOSA-N 293.414 3.865 30 20 CHED N#Cc1cccc(COC(=O)c2ccc3[nH]ccc3c2)c1F 774942541 QCJSFRSGTPTDAC-UHFFFAOYSA-N 294.285 3.536 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@@H]1F 872372186 XYVLWBIBZZEMRH-QMMMGPOBSA-N 270.739 3.543 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1c(F)cccc1Cl 1116910769 IVYCSOLIIFXQTH-LLVKDONJSA-N 298.789 3.676 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@@H]1c1ccccc1 771096979 GPIJURTUEVWURQ-LLVKDONJSA-N 275.764 3.620 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1116266587 GKKOHTQFMIMMSW-GBESFXJTSA-N 295.426 3.903 30 20 CHED C#C[C@@H](NC[C@H](C)CCC#N)c1ccc(Cl)cc1 877540948 IXJDWXJEZWHYLE-IUODEOHRSA-N 260.768 3.544 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CC1(Cl)Cl)c1ccccc1 778423989 HNQVZWWBMWRTLR-OLZOCXBDSA-N 298.213 3.656 30 20 CHED C=CCN(Cc1cccc(Br)c1OC)C(C)C 775913225 VHMJDDBFUZVTAV-UHFFFAOYSA-N 298.224 3.854 30 20 CHED C=C[C@H](CC(=O)NN1[C@H](C)CCC[C@H]1C)c1ccccc1 773394418 XGVXWRQUYDBIJB-BZUAXINKSA-N 286.419 3.640 30 20 CHED C=CC[C@H](C(=O)OCC(=O)C1CCCC1)c1ccccc1 778419817 VVADJMNAZLLVCM-INIZCTEOSA-N 286.371 3.649 30 20 CHED C=CCC[C@@H](C(=O)OC[C@H]1CCCCO1)c1ccccc1 777412845 VVVWVRYJFXIVEK-IAGOWNOFSA-N 288.387 3.849 30 20 CHED CC/C(C)=C(/C)C(=O)OCc1ccc(C#N)cc1C 779991134 KLUVOEGJKVZDEB-QBFSEMIESA-N 257.333 3.656 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1 779916024 RNVYGPMHHYOZSA-FOLVSLTJSA-N 269.388 3.703 30 20 CHED N#Cc1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1 1124406486 RSKNCBPDJCNIHZ-UHFFFAOYSA-N 276.339 3.617 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OCCC)c(OC)c1 775033489 QLJDMUNCXGNKCP-AWEZNQCLSA-N 275.392 3.548 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1cnc(C2CCC2)s1 779817012 NDQFXQOZLGWLOF-UHFFFAOYSA-N 297.387 3.733 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1c(F)ccnc1F 888935197 IAPHHYMHDCYWMU-UHFFFAOYSA-N 294.345 3.568 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@@H]2CCCN2c2ccccc21 888165083 BEJRGOVQJOADBC-AWEZNQCLSA-N 284.403 3.604 30 20 CHED Cn1ncc(Cl)c1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 780187921 YPUDPTTWLLUMPW-JYVXZMADSA-N 298.773 3.773 30 20 CHED C[C@]1(c2ccccc2)CCC(=NNCCc2ccncc2)C1 789094933 XDXYUGISCHDTCB-IBGZPJMESA-N 293.414 3.712 30 20 CHED Cc1cccc(C)c1/C=C1/Cc2cc(O)ccc2C1=O 780186562 KYVMRRWXJGSKSP-UVTDQMKNSA-N 264.324 3.831 30 20 CHED FC(F)(F)CON=C1CCC[C@H](C(F)(F)F)C1 783521985 GOHSVTQXROJOKZ-LURJTMIESA-N 263.181 3.674 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cnn(-c2ccccc2)c1 785769496 RDIOJBIRHQAWKW-QGZVFWFLSA-N 284.359 3.518 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccccc1OC(F)F 785762408 SQHIAMDJHUSLDN-HNNXBMFYSA-N 284.302 3.934 30 20 CHED CC1(C)CC(=NOC[C@@H]2CCOC2)CC(C)(C)C1 788031808 JFNSIWJXZDSMFF-GFCCVEGCSA-N 253.386 3.632 30 20 CHED Cc1cc(C(=O)/C=C\c2cnn(C3CCC3)c2)oc1C 899370875 LNETVQWWYVHRFN-SREVYHEPSA-N 270.332 3.714 30 20 CHED C=CCCCCCOC(=O)C[C@H](C)c1ccncc1 784234217 MIGTUGOWUOVIOS-AWEZNQCLSA-N 261.365 3.865 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1cc(C#N)cc(Cl)n1 783864079 PEUXDIUTKDRKGH-ZYHUDNBSSA-N 276.771 3.831 30 20 CHED N#CCC1CCN(C(=S)Nc2ccccc2Cl)CC1 781546539 FPXIMOJWRHRDLM-UHFFFAOYSA-N 293.823 3.662 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(-c3ccon3)cc2)C1 897364120 SLYJVEQKGINPRK-WFASDCNBSA-N 267.332 3.836 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCOC3(CCC3)C2)n1 896328625 PYLGXPNZVXWXHO-LBPRGKRZSA-N 276.380 3.740 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@H](CC)SC 783874022 SXTJOKBJGVRWMX-HNNXBMFYSA-N 293.432 3.665 30 20 CHED C=CCN(C(=O)N[C@H](C)CC1CCCCC1)C(C)C 787370956 GQJSXBBCRBQTBJ-CQSZACIVSA-N 266.429 3.951 30 20 CHED Cc1cc(/C=C\C(=O)c2cccnc2)cc2cccnc12 783696326 ICIULVLKFRMOAE-SREVYHEPSA-N 274.323 3.834 30 20 CHED Cc1ccc([C@H](O)[C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 797061016 MRSWAPOTWKNHAF-ZRGWGRIASA-N 294.398 3.639 30 20 CHED CSCCON=Cc1ccc2c(c1)CCC(C)(C)O2 794572838 IUVXLWLYOFURPR-UHFFFAOYSA-N 279.405 3.504 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](CC(C)C)c1ccccc1 791741699 QTMUWODIVPESEN-DLBZAZTESA-N 271.404 3.734 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2cc(C#N)ccc2C)C1 1137031373 OEBYTPSAJXOPQE-SFHVURJKSA-N 284.403 3.909 30 20 CHED CC(C)(CCC#N)CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 793615306 OLGVALJZRQZCKS-WCQYABFASA-N 289.250 3.832 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cccc(C2CCC2)c1 798935942 XSCHGHGWOFFNAP-UHFFFAOYSA-N 284.403 3.966 30 20 CHED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1ccnc(F)c1 794720220 RXOJKPRCMGHJSW-VKDZAETISA-N 298.273 3.581 30 20 CHED C[C@@H](NN=C1CCC[C@H](c2ccnn2C)C1)c1ccccc1 790286811 GEBOTPIXOCFZFW-ZBFHGGJFSA-N 296.418 3.785 30 20 CHED C=CCC(C)(C)C(=O)O[C@H](C)c1nc2ccccc2n1C 796942847 PHYKWCYFHDTDSJ-GFCCVEGCSA-N 286.375 3.780 30 20 CHED CCC(=NNc1ccnc(F)c1)c1cccc(C)c1 794929646 WIBNRDHUZSTDBB-UHFFFAOYSA-N 257.312 3.755 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@@H]2CCC(F)(F)C2)cc1 797586565 HEZGIZSUOQAEJT-ZIAGYGMSSA-N 293.357 3.785 30 20 CHED Cn1cc2c(n1)CC/C(=C\c1cc3cc(F)ccc3o1)C2=O 794965712 YJIXJIOYFDPZDU-JXMROGBWSA-N 296.301 3.518 30 20 CHED C=CCN(Cc1ncc(C(C)(C)C)s1)C(C)C 790902815 RPIJRRCWEPJZIX-UHFFFAOYSA-N 252.427 3.837 30 20 CHED Cc1cccnc1NN=Cc1ccccc1Br 790193089 RXWFFLKPKXFHQG-UHFFFAOYSA-N 290.164 3.599 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2c2cccs2)c1 16340787 LCIUGPCPFIQBPB-OAHLLOKOSA-N 268.385 3.957 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3cc(C)c(C)o3)n2c1 799895393 ATXPRFFLRUTHGM-WAYWQWQTSA-N 280.327 3.749 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(OCC#N)c1 793087139 FDLUEXYEIFHQNL-CJNGLKHVSA-N 286.375 3.744 30 20 CHED O=C(/C=C/c1ccc(OCC2CC2)cc1)c1ccnc(F)c1 794720197 DZHLKDFKNYOARW-VMPITWQZSA-N 297.329 3.906 30 20 CHED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccco1 796803349 SFABEXNTJUTZLN-LBPRGKRZSA-N 283.327 3.999 30 20 CHED N#Cc1cc(NCc2ccc(F)cc2F)ccc1F 51635046 WZOVMRBJEZBXPL-UHFFFAOYSA-N 262.234 3.588 30 20 CHED Cc1sccc1C(=O)Nc1ccc(C#N)c(Cl)c1 1354786542 JPPKEYBAPLHYQC-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1cc(C)c(NC(=O)c2ccc(F)c(C#N)c2)c(C)c1 75914025 QMXTUIQDISJFMW-UHFFFAOYSA-N 282.318 3.875 30 20 CHED N#CCCSCC(=O)Nc1cccc(Cl)c1Cl 58256358 YZTLVQBNZRNXJX-UHFFFAOYSA-N 289.187 3.579 30 20 CHED CC(C)(C)[C@H]1CCCN(c2cnccc2C#N)CC1 135610084 TUKTUZFWNRWNDA-AWEZNQCLSA-N 257.381 3.606 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(C)cc1Br 395380045 QYQFGXPAZPAMSO-UHFFFAOYSA-N 296.208 3.700 30 20 CHED CC(C)C[C@H](C)Cc1nnc(COc2ccc(C#N)cc2)o1 1322282953 DELNQMRZFOQYPS-ZDUSSCGKSA-N 299.374 3.745 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1oc2ccccc2c1CC 1320591902 LXBLEECUQWYXPE-QWHCGFSZSA-N 273.376 3.847 30 20 CHED CCCN(CC#N)C(=O)c1oc2ccc(Cl)cc2c1C 60541866 IRYSJFQYYYOIJN-UHFFFAOYSA-N 290.750 3.770 30 20 CHED CN(C(=O)c1csc(C#N)c1)C(C)(C)c1ccccc1 1326704611 NSCFDYYSUKNNKZ-UHFFFAOYSA-N 284.384 3.627 30 20 CHED C[C@H]1CC[C@@H](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 1257872938 SWZATNSFEMTXJO-WCQYABFASA-N 267.332 3.587 30 20 CHED CC(C)(C)ON=Cc1cnc(-c2ccco2)s1 1256048453 MQULDMLEJRBWFX-UHFFFAOYSA-N 250.323 3.552 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cc3ccccc3[nH]2)no1 1335208498 YZBMAFRYWHYVMS-NSHDSACASA-N 283.331 3.872 30 20 CHED N#CC[C@H](C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1 1265556806 JMMFCZDAXUEVCD-RCCFBDPRSA-N 296.414 3.769 30 20 CHED CCc1c(C(=O)N(CC)[C@H](C#N)CC)oc2ccccc12 1262812942 KYAMXXHFPNDWFY-LBPRGKRZSA-N 284.359 3.759 30 20 CHED N#C[C@@H](C(=O)C[C@H]1CCc2ccccc21)c1cccc(F)n1 1342641025 KXBINQSKCDYDER-UKRRQHHQSA-N 294.329 3.517 30 20 CHED C=CCCO[C@H](C)c1nnc(CCCc2ccccc2)o1 1345950085 URRZJUHVZFBWOM-CQSZACIVSA-N 286.375 3.899 30 20 CHED Cc1cc(F)ncc1CNc1cccc(OCCCC#N)c1 1352739398 FBPGXBYTKLBMON-UHFFFAOYSA-N 299.349 3.824 30 20 CHED CCN(C(=O)CCc1ccc(Cl)c(Cl)c1)[C@H](C)C#N 1351271683 YQGUTSFYOCJSQZ-SNVBAGLBSA-N 299.201 3.687 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)c2ccsc2C#N)c(C)c1 1353378179 XOHBPUXQNQQFMA-ZDUSSCGKSA-N 298.411 3.598 30 20 CHED N#Cc1ccc(OCc2cc(F)ccc2OC(F)F)cc1 1458819046 PTINPJUSXQPEEU-UHFFFAOYSA-N 293.244 3.878 30 20 CHED N#Cc1cc(Oc2cccc(-c3ccccn3)c2)ccn1 1458509936 FRYYSWRTLRENII-UHFFFAOYSA-N 273.295 3.808 30 20 CHED C=C(CC)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 1521550391 SISCFCBUUSPJGW-HIFRSBDPSA-N 261.340 3.544 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1sccc1C(C)C 1520037634 ZMDBWRNTIZKRPZ-GFCCVEGCSA-N 287.388 3.578 30 20 CHED C[C@H]1CN(C(=O)c2cc(C#N)ccc2F)[C@H]1c1ccccc1 1465469407 RMNVMDCERHRKNS-YVEFUNNKSA-N 294.329 3.531 30 20 CHED CCCCCCCCC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)O 1605267361 UPDRVQNVNZOXPN-RHSMWYFYSA-N 297.439 3.887 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)c1 1531985763 ZDXAIYKVBGEBHN-RYUDHWBXSA-N 286.350 3.852 30 20 CHED CCCCCCCNCc1ccc(O)c(OCC)c1 106291698 QNBVZPSMBSMWQW-UHFFFAOYSA-N 265.397 3.851 30 20 CHED CSc1ccc(C(=O)/C=C\c2cc(C(=O)O)co2)cc1 1610386280 QBRKARKVVYYLTR-DAXSKMNVSA-N 288.324 3.596 30 20 CHED N#Cc1c(F)cccc1N1CCC2(CCSCC2)CC1 1472847359 VNZVYXMSWSCFEL-UHFFFAOYSA-N 290.407 3.811 30 20 CHED Cc1cc(C#N)ccc1CN(C)C1CC(OC(C)(C)C)C1 1559920184 CDHQYHXZTVQNHG-UHFFFAOYSA-N 286.419 3.645 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(C)c(C)c1C(=O)O 1573348281 UUSRNBWPDPDJFC-GFCCVEGCSA-N 275.348 3.542 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CC[C@H](C)CC2)c1C#N 1642244124 IQOURFOYEGLVGV-HOMQSWHASA-N 263.772 3.906 30 20 CHED Cc1ccc(CCCN2CCCC(C)(C)[C@H]2C#N)cc1 1658543363 JZUCUXYZHMPAOA-QGZVFWFLSA-N 270.420 3.942 30 20 CHED CC(C)[C@@H]1CCCCCN1CCCC1(C#N)CCOCC1 1653916697 PQKIUIDJIDLNNW-KRWDZBQOSA-N 292.467 3.988 30 20 CHED N#Cc1ccc2c(c1)N(CCOC1CCCCCC1)CC2 1654032948 YLGIJUMTEHFGLH-UHFFFAOYSA-N 284.403 3.660 30 20 CHED CN(CCC1(C#N)CCCCC1)c1ccccc1C(=O)O 1598471069 YAGGCZFMPWOUJQ-UHFFFAOYSA-N 286.375 3.685 30 20 CHED CCON=C(C)c1ccc(Oc2ccc(C(=O)O)cc2)cc1 1776028455 WZYIFXIBNYLLGC-UHFFFAOYSA-N 299.326 3.938 30 20 CHED C=CCCCN1CCC2(CCC(CC(=O)O)CC2)CC1 1776174349 ICPJJQULLLXMFN-UHFFFAOYSA-N 279.424 3.700 30 20 CHED CCCCCCCOc1ccc(C(=O)O)cc1OC 14980569 UEVVWVXGDYTQKF-UHFFFAOYSA-N 266.337 3.743 30 20 CHED C=CCN(C)C(=O)c1sccc1-c1ccc(C)cc1 161434281 KINHSTXZZDVUSK-UHFFFAOYSA-N 271.385 3.982 30 20 CHED COc1ccc([C@@H](NCCCCC#N)C(C)C)cc1 161705261 PNZBDIWMJLWTPT-INIZCTEOSA-N 260.381 3.676 30 20 CHED CC(C)(C)Oc1ccncc1NCc1ccc(C#N)cc1 158431082 ZWBPGZCYAXMHGM-UHFFFAOYSA-N 281.359 3.743 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2cccc(C#N)c2)c1C 160710948 NYEWRXODCGCLRL-CMDGGOBGSA-N 293.370 3.678 30 20 CHED N#Cc1ccc(SCCc2cccnc2)c(Cl)c1 163299543 QBWPWSMYNRETAW-UHFFFAOYSA-N 274.776 3.941 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 151026692 LZRABPVYYIOPMR-YOEHRIQHSA-N 269.388 3.974 30 20 CHED CC[C@@H](C)CN(C)C(=O)N[C@@H](CCC#N)c1ccccc1 151462261 XYVXTMFXQMASBJ-ZBFHGGJFSA-N 287.407 3.719 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1F)c1cc(O)cc(O)c1 152692666 XQQNMLNQPIMLPJ-DAFODLJHSA-N 292.693 3.786 30 20 CHED CC(C)CSCCCN(CCC#N)Cc1ccco1 154847384 SKHROGNVPMDYOT-UHFFFAOYSA-N 280.437 3.775 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1cccc(Cl)c1 6340555 YOSUBLOOZVETEJ-RMKNXTFCSA-N 258.704 3.942 30 20 CHED COc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1F 209627669 APIWIYBOTQDSBS-JYRVWZFOSA-N 298.313 3.752 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@@H](C)CC(C)(C)C1 1653868485 RGZYXJQDTHEXPH-ZDUSSCGKSA-N 256.393 3.735 30 20 CHED CC[C@H](Cc1ccccc1)Nc1ccc(C#N)cc1 112466132 HJBABSKXRYJMEO-MRXNPFEDSA-N 250.345 3.991 30 20 CHED N#Cc1cc(F)c(N2CC[C@H]3CCCC[C@H]3C2)c(F)c1 252668048 RGXJNAIVGFMABQ-OLZOCXBDSA-N 276.330 3.853 30 20 CHED N#Cc1ccccc1OCCCOc1ccc(F)cc1 34651710 NVVBKUOGABHCCA-UHFFFAOYSA-N 271.291 3.545 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H]1C=CCCC1 187264747 HAEYTBAMUYPXEQ-ZDUSSCGKSA-N 254.333 3.552 30 20 CHED COc1cccc(Cl)c1CNCc1ccc(C#N)s1 188280779 VVOWHSAVDBSZNO-UHFFFAOYSA-N 292.791 3.572 30 20 CHED N#Cc1ccc(OCc2cc(F)cc(F)c2)c(F)c1 188228395 RVTRUUSBXDNUFG-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CCc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 404154252 UUDOZUVLJZDKMK-UHFFFAOYSA-N 268.335 3.550 30 20 CHED Cc1ccc(C(C)C)cc1Oc1ncncc1C#N 311448931 YLHADMIXKXAGSH-UHFFFAOYSA-N 253.305 3.572 30 20 CHED CC1(C)CCC(CNC(=O)c2cccc(C#N)c2)CC1 336834734 SCJYRFKDUBAVOH-UHFFFAOYSA-N 270.376 3.504 30 20 CHED CCCCCCC[C@H](C)NCC1=CCN(C)CC1 392251404 VZHUCFZOUDOWDO-HNNXBMFYSA-N 252.446 3.587 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C(F)(F)F 725889207 TYQBOGONSXTMKI-SNVBAGLBSA-N 253.308 3.662 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 6619476 HXUUZOXHPIQPOG-VQHVLOKHSA-N 294.350 3.916 30 20 CHED C=CCNC(=S)Nc1cc(C(F)(F)F)ccc1Cl 6855815 WZLCRRQUOKSNSI-UHFFFAOYSA-N 294.729 3.831 30 20 CHED C=CCNc1nnc(SCCCc2ccccc2)s1 57804017 XWUOKRFUGAQHJZ-UHFFFAOYSA-N 291.445 3.861 30 20 CHED CC(C)[C@@H](C/N=C/c1ccccc1O)c1cccnc1 177545099 BPVPRKVISWZPAH-YDDPGSGASA-N 268.360 3.646 30 20 CHED Cc1c(C(=O)O[C@H]2CC[C@@H](C#N)C2)oc2c(C)cccc12 179898184 NWWKMRYBGIWCFJ-OLZOCXBDSA-N 283.327 3.899 30 20 CHED N#Cc1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1 170889011 FNFNGBMPKODUOK-UHFFFAOYSA-N 276.299 3.684 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)cc1 175751878 CDRXSGNIGIJEOR-KDOFPFPSSA-N 290.366 3.576 30 20 CHED C[C@H](OC(=O)CC[C@@H]1CCCCO1)c1ccc(C#N)cc1 175802805 LLWFSFXVQSOSPF-BBRMVZONSA-N 287.359 3.512 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(F)c(F)c1 106421715 GDPGCQWZAPUESD-UHFFFAOYSA-N 280.318 3.557 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc3c(F)cccc3[nH]2)C1 116809616 PQUMXUXCNINWLE-PIGZYNQJSA-N 299.349 3.509 30 20 CHED CCCCN(c1nc(C)c(C#N)cc1Cl)C1CC1 310752047 KJFHACWOLZSRBG-UHFFFAOYSA-N 263.772 3.684 30 20 CHED N#CC[C@H](C(=O)Nc1cc(C2CC2)ccn1)c1ccccc1 1274649793 UEODHNCEJMSYQM-INIZCTEOSA-N 291.354 3.595 30 20 CHED CC[C@H](C#N)Oc1cccc(CNc2cc(C)ccn2)c1 301622656 FXJRXQIEHXOGBG-OAHLLOKOSA-N 281.359 3.683 30 20 CHED CC(C)(C#N)C(=O)OCc1cc(Cl)ccc1Cl 175285332 CIYGRCSLYPRPFB-UHFFFAOYSA-N 272.131 3.586 30 20 CHED CC(C)c1ccc(Sc2ccnc(C#N)n2)cc1 311036831 OIJTXAIASFWLGY-UHFFFAOYSA-N 255.346 3.623 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccsc1 65774981 ZPBGRJGSESPMDS-UHFFFAOYSA-N 271.385 3.619 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2c2ncccc2C#N)c1 301693027 YOPVDVJVTXAYQS-QGZVFWFLSA-N 277.371 3.912 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)[C@H](CC#N)c2ccccc2)CC1 1435929164 UVWDIAVLTQUTEB-DJIMGWMZSA-N 284.403 3.769 30 20 CHED CCc1ccc([C@H](C)C(=O)N(CCC#N)C(C)C)cc1 68126382 QFFCXJFIZKHFPK-AWEZNQCLSA-N 272.392 3.503 30 20 CHED C[C@@H]1[C@@H](OC(=O)CCc2ccc(C#N)cc2)CCC[C@H]1C 1435779447 RBOLJTXDSLYNFD-KEYYUXOJSA-N 285.387 3.859 30 20 CHED C=CCOc1ccccc1C(=O)N1CCCC(C)(C)C1 112682253 XFJCXQNZKKXQCA-UHFFFAOYSA-N 273.376 3.514 30 20 CHED CCN(CC)c1ccc(CNCc2cc(C#N)cs2)cc1 177687080 HQLKYAIKRIRTFY-UHFFFAOYSA-N 299.443 3.756 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C(F)(F)c1ccccc1 63962173 GYLPCXOSBSYEFB-UHFFFAOYSA-N 286.281 3.597 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 178101830 MLCYLGGOQZGESM-ZDUSSCGKSA-N 276.405 3.661 30 20 CHED CC(C)CSCCCNc1ccc(Cl)c(C#N)n1 301807269 ANTZSAUSKJCNMH-UHFFFAOYSA-N 283.828 3.798 30 20 CHED C=CCSCCNC(=O)C[C@@H](CC)c1ccccc1 171535166 UMXDORYZBWSMKV-CQSZACIVSA-N 277.433 3.606 30 20 CHED COc1ccc(O)c(/C=N/C[C@H](c2cccnc2)C(C)C)c1 177545162 MPOZDHLRSAKSJL-PBGVMVHZSA-N 298.386 3.655 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc2cc[nH]c12 173063884 LMJLLIMAKFCCJM-UHFFFAOYSA-N 283.375 3.570 30 20 CHED CC[C@@H](c1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1 173960653 FBIAGFRRMZDQQV-KRWDZBQOSA-N 299.395 3.624 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(OCC(=C)C)c1 171274550 ZKYOOKWFGXYWRH-UHFFFAOYSA-N 286.375 3.847 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)CCCC 409950297 MKHOOKVGYUPZJP-CQSZACIVSA-N 263.381 3.663 30 20 CHED C=C(C)CN(CC)C[C@H](O)c1ccccc1C(F)(F)F 60522563 JHIJTQJYZHFXFA-AWEZNQCLSA-N 287.325 3.637 30 20 CHED CS[C@@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 172393976 GPTCOIWGDIGQAM-MRXNPFEDSA-N 296.395 3.910 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)nc1 126229318 PTCSNYHCOFQMMN-UHFFFAOYSA-N 291.351 3.502 30 20 CHED CC[C@H](C#N)NCC(c1ccccc1)c1ccccc1 122197125 HUZKPXMRMJUQRG-QGZVFWFLSA-N 264.372 3.710 30 20 CHED CCCCN/C(N)=N/CC(c1ccccc1)c1ccccc1 303793269 ZGYUAUQDYBTAGO-UHFFFAOYSA-N 295.430 3.523 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3C[C@H]4CCC[C@H]4C3)c2c1 301598644 HIUDGOBJLMVRLZ-GASCZTMLSA-N 291.398 3.960 30 20 CHED N#Cc1cnc(N[C@@H]2C[C@H]2c2cccc(F)c2)c(Cl)c1 302861707 QGYTXDAIMKFMQR-GXTWGEPZSA-N 287.725 3.714 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@@H]1c1c(F)cccc1F 302882587 KASVESPANAFRNV-SWLSCSKDSA-N 295.292 3.676 30 20 CHED C=CC[C@@H](C(=O)N[C@H]1C=CCCC1)c1ccccc1 188537475 OKTLPNCLNQJLGJ-JKSUJKDBSA-N 255.361 3.571 30 20 CHED CC(=O)c1ccc(C)cc1OCc1ccc(F)cc1C#N 77565984 CVHUMWKKMUNARC-UHFFFAOYSA-N 283.302 3.787 30 20 CHED CC(C)c1ccccc1OCCN[C@H]1CCC[C@@H](C#N)C1 185836576 WZLSGBQKFNJWMY-CVEARBPZSA-N 286.419 3.861 30 20 CHED CC#CCN(C)[C@H](C)c1sc(C(C)C)nc1C 120990923 BEILZISPVGNATN-GFCCVEGCSA-N 250.411 3.591 30 20 CHED Cc1cnc(CSCc2cccc(C#N)c2)s1 180003151 VQIAXJLAPSZVPY-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cccc(Cl)c2F)c1 152321583 MSYSIOUBPGGRPY-UHFFFAOYSA-N 287.721 3.737 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(F)nc2)c(C)s1 186387942 BLLBXYFKRBNQAL-HWKANZROSA-N 261.321 3.795 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 185085919 ADAHBQXOSLZRNT-LLVKDONJSA-N 297.320 3.932 30 20 CHED N#C[C@H](NC(=O)[C@H]1CCCc2ccccc21)C1CCCCC1 315052710 MOCUJVPLUAVUSO-ROUUACIJSA-N 296.414 3.695 30 20 CHED Cc1nc(C(C)(C)NCc2ccccc2C#N)sc1C 72866055 QXIDOUNHXMHTQW-UHFFFAOYSA-N 285.416 3.657 30 20 CHED CC(C)CN(CC(C)C)C(=O)CCc1ccc(C#N)cc1 73519664 SXMGHBUBABFSAT-UHFFFAOYSA-N 286.419 3.631 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@H](C)c1ccc(F)cc1F 120844149 MRKMFQXXFQPECS-ZBEGNZNMSA-N 294.345 3.513 30 20 CHED C=CC1CCN(C(=O)c2scnc2C2CCCC2)CC1 184805869 MRAVUDSPYRAQLN-UHFFFAOYSA-N 290.432 3.839 30 20 CHED CC(C)[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccccc1 79485312 VMFDFTNFASEBBM-SFHVURJKSA-N 292.382 3.614 30 20 CHED C=C(Cl)CSc1nnc(-c2ccncc2)n1CCC 78822794 UQWKYKGNRPZYEX-UHFFFAOYSA-N 294.811 3.595 30 20 CHED N#Cc1ccc(NC[C@H]2CCC[C@H](O)C2)c(C(F)(F)F)c1 78304260 NDVDEPVGRGQCDF-RYUDHWBXSA-N 298.308 3.540 30 20 CHED N#Cc1ccc(N2CC[C@@H]2c2ccc(Cl)cc2)nc1 78462206 TWZFXUXRKNPLJT-CQSZACIVSA-N 269.735 3.558 30 20 CHED N#Cc1ccc(N2CC=C(c3ccc(O)cc3)CC2)c(F)c1 76920326 RUQDWMYOTIVJJP-UHFFFAOYSA-N 294.329 3.697 30 20 CHED C[C@H]1CC(Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 122833550 ZJQILAAUDHDWJY-UWVGGRQHSA-N 264.756 3.580 30 20 CHED C[C@@H](CCC#N)Sc1n[nH]c(/C=C/c2ccccc2)n1 412987620 JUTXNOXOBSDKBU-VMPCVLLUSA-N 284.388 3.759 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H](C)CC(F)(F)F 413444508 WBDSGDLMEGIFDJ-QWRGUYRKSA-N 280.334 3.619 30 20 CHED C[C@@]1(CNCc2ccc(C#N)o2)CCCc2ccccc21 182005356 HXXYDUNQOJDWSD-SFHVURJKSA-N 280.371 3.535 30 20 CHED C=CCNC(=O)NCC1(c2cccc(C)c2)CCCCC1 505675592 VBJDSLMAUHFQPD-UHFFFAOYSA-N 286.419 3.682 30 20 CHED C=CCOc1ccc(CN(C)C(C)C)cc1Cl 505890661 DSFKQODJLLNMHF-UHFFFAOYSA-N 253.773 3.745 30 20 CHED O=C1/C(=C\c2cc(F)c(F)c(F)c2)COc2ccccc21 216747012 OVJSXINQLRPIBE-YHYXMXQVSA-N 290.240 3.763 30 20 CHED N#CCc1cccc(-c2nc(CCc3ccccc3)no2)c1 72540026 YIRMKAKFUARQEG-UHFFFAOYSA-N 289.338 3.588 30 20 CHED COc1ccc(F)cc1N[C@@H](C#N)C1CCCCC1 131749645 MNVBYIYBQQANDU-AWEZNQCLSA-N 262.328 3.719 30 20 CHED N#Cc1cccc(SCCCN2CCCCC2)c1 187692377 VFWZRODZQSEZTO-UHFFFAOYSA-N 260.406 3.526 30 20 CHED C=CCN(Cc1ncc(CC)o1)Cc1ccccc1F 75644653 OLGYXEDBKRYXDL-UHFFFAOYSA-N 274.339 3.564 30 20 CHED C=CCCC1=NN=C(Nc2ccccc2OC)SC1 134437250 CETYUCQQGMHUPW-UHFFFAOYSA-N 275.377 3.532 30 20 CHED N#CCc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1 79512467 LBXYDCXECAUMPR-QGZVFWFLSA-N 297.402 3.939 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 410627159 RZTUPCDUCLMBRU-UGSOOPFHSA-N 299.418 3.716 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1cc(C)sc1C 185094772 QUEDPQAFENTMKW-GFCCVEGCSA-N 263.406 3.736 30 20 CHED C=CCOc1ccc(OCCSC(C)C)cc1 509804390 QOLNESLWPWVPRM-UHFFFAOYSA-N 252.379 3.772 30 20 CHED CCC(=O)c1cccc(NC(=O)c2cccc(F)c2C#N)c1 188727666 RVKBEEVOHZUXDA-UHFFFAOYSA-N 296.301 3.542 30 20 CHED CC[C@H]1C[C@H](C(O)=Nc2cccc3ocnc23)CCO1 328850984 BRCIWHXOEXQGJG-MNOVXSKESA-N 274.320 3.621 30 20 CHED C=C(Cl)C[S@@](=O)[C@@H](C)c1ccc(F)c(F)c1 131512119 WHWJAYFANDKLJJ-PWJLMRLQSA-N 264.724 3.527 30 20 CHED Cc1ccc(OC(=O)CSCc2ccc(C#N)cc2)cc1 42193611 DXGCCOLEJLKYFM-UHFFFAOYSA-N 297.379 3.706 30 20 CHED C[C@@H](N[C@H]1CCc2ccccc2OC1)c1cccc(C#N)c1 509517326 SSPURXAORVYHEG-KDOFPFPSSA-N 292.382 3.603 30 20 CHED Cc1cc(C)n(-c2ccccc2N=C(O)C[C@H]2CCOC2)n1 329793458 VOBSTOQUKLWZCP-CQSZACIVSA-N 299.374 3.504 30 20 CHED Cc1cccc([C@H](C)C/N=C(/O)C[C@@H]2CCCC(O)=N2)c1 329624721 GHDKHGXTLZEICB-HIFRSBDPSA-N 288.391 3.954 30 20 CHED C=CCN(C(=O)Cc1cccc(F)c1F)c1ccccc1 87086890 CKLQAJBLEKURJU-UHFFFAOYSA-N 287.309 3.727 30 20 CHED C=C(Br)CNC(=O)Nc1c(C)cc(C)cc1C 49299472 AXTJSMVLODWVQS-UHFFFAOYSA-N 297.196 3.642 30 20 CHED Cc1cnc(CN(C)[C@@H](C)c2cccc(C#N)c2)s1 425363095 AOIDRCWKMLGHQW-LBPRGKRZSA-N 271.389 3.516 30 20 CHED C[C@@H]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425522778 BMIFQPXGAABUQS-CKEIUWERSA-N 299.418 3.697 30 20 CHED N#C[C@@H]1CCC[C@H](NCC2(Sc3ccccc3)CC2)C1 192850507 QLHZAQNDANRKDG-CABCVRRESA-N 286.444 3.983 30 20 CHED C[C@@H](Nc1snc(Cl)c1C#N)c1ccc(C#N)cc1 49065586 JFJHIZIOEQHMNH-MRVPVSSYSA-N 288.763 3.713 30 20 CHED CCCn1c(C)nnc1S[C@@H](C)c1ccc(C#N)cc1 89638417 MUSDULRMJPTKQR-NSHDSACASA-N 286.404 3.722 30 20 CHED Cc1cnc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)[nH]1 329522867 GHJHFOMKFFOASG-FRRDWIJNSA-N 261.369 3.913 30 20 CHED COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@@H]1CC[C@H](C#N)C1 424322207 ICJJGXHESZOIAG-OGHNNQOOSA-N 284.403 3.699 30 20 CHED C=CCC(C)(C)c1nc(CCc2ccc3c(c2)CCO3)no1 426584362 PXISDBSIGFQIPE-UHFFFAOYSA-N 298.386 3.643 30 20 CHED Cc1nc2ccc(N=C(O)N3CC(C)(C)[C@H]3C3CC3)cc2o1 329784146 PAJVDONDGOZFNS-OAHLLOKOSA-N 299.374 3.802 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC(C)(C)CC(C)(C)C1 424777508 KCWRMHVWCNXZCU-UHFFFAOYSA-N 251.414 3.873 30 20 CHED CC(C)(C)[C@@H](Nc1cncc(C#N)n1)c1cccc(F)c1 420606464 YEMRTUQAXWRJQC-HNNXBMFYSA-N 284.338 3.687 30 20 CHED Cc1ccc(C[C@H](N[C@@H]2CC[C@H](C#N)C2)C(C)C)cc1 424315673 AIYCXSCPXGGCQE-KSZLIROESA-N 270.420 3.844 30 20 CHED Cc1cc(C)c(N/C(O)=N/C[C@H]2CC=CCC2)c(C)n1 331249209 XMLILRLZBYYRIY-AWEZNQCLSA-N 273.380 3.689 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)CCCC1(C#N)CCOCC1 337206816 NGRCUBWWSPKGBJ-CVEARBPZSA-N 278.440 3.597 30 20 CHED Cn1cc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)cc1C#N 190690902 HWLXWAKBACCMFF-QGZVFWFLSA-N 299.805 3.791 30 20 CHED CCC1(NC(O)=Nc2cccc(SC)c2)CCOCC1 330716132 YRPWDZPNFVTSEA-UHFFFAOYSA-N 294.420 3.503 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)cc1 336278665 FFMUOUPECBNWPM-BBRMVZONSA-N 297.402 3.894 30 20 CHED C=CCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 194823962 VPACLNQSNZWAIS-UHFFFAOYSA-N 292.382 3.755 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1OC(C)C 193208851 WYTOBOCXXMDBFJ-UHFFFAOYSA-N 274.364 3.680 30 20 CHED CC1(C)CCCC[C@@H]1NCCCC1(C#N)CCOCC1 337205131 JWYBZVZEFIVHIE-HNNXBMFYSA-N 278.440 3.645 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@H]2C[C@@H]2C2CC2)c(C#N)s1 91208396 IEUVAPZKHXGKJW-MNOVXSKESA-N 288.416 3.902 30 20 CHED Cc1cc(NC(=O)N(C)CC(C)(C)C#N)c(Cl)cc1F 335039425 CEOUUSZQCYMIBM-UHFFFAOYSA-N 297.761 3.801 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc2c[nH]nc12 512036341 HJBCBGCWZXXNPV-UHFFFAOYSA-N 291.398 3.794 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)N1CCCc2cc(C#N)ccc21 425608528 PCVMNBKPONPCGN-BBRMVZONSA-N 282.387 3.664 30 20 CHED C[C@@H](N(C)C(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 336205906 NXBUKFIEKPKWIF-SNVBAGLBSA-N 278.783 3.718 30 20 CHED N#Cc1c(F)cccc1SCCC1CCOCC1 516585213 KZRXZLFQRIKTJJ-UHFFFAOYSA-N 265.353 3.606 30 20 CHED CC(C)c1nn(-c2ccccc2)cc1CN(C)[C@H](C)CC#N 93090378 HMFVQMBZOFWZJC-OAHLLOKOSA-N 296.418 3.730 30 20 CHED C=CCSCCNC(=O)c1cccc(C2CCC2)c1 336927362 WMUSSWAIHZLEKN-UHFFFAOYSA-N 275.417 3.603 30 20 CHED OC(=Nc1cnns1)N1CCC[C@H]1CCC1CCCC1 330256207 KKSYNYCEAKVOIO-LBPRGKRZSA-N 294.424 3.518 30 20 CHED C[C@H](C#N)C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 335671450 KTHCONYPUGRIKP-MRVPVSSYSA-N 291.763 3.562 30 20 CHED N#Cc1ccc(C(=O)NC2CCC(F)(F)CC2)cc1Cl 336093641 UASQHPHIFUXVIU-UHFFFAOYSA-N 298.720 3.519 30 20 CHED COc1c(C)ccc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)c1C 331312388 ZXUXOQMLLGTBJB-GXFFZTMASA-N 276.380 3.827 30 20 CHED CC#CCCCC(=O)N(C)[C@H](CC)c1ccccc1OC 520449726 RZKOAXUZBCUDPW-MRXNPFEDSA-N 287.403 3.798 30 20 CHED CC(C)(NCc1ccc(C#N)cc1)c1cccs1 523937729 CHOVIZYOWTUULV-UHFFFAOYSA-N 256.374 3.645 30 20 CHED C=CCN(C)C(=O)Nc1cc2sc(C)nc2cc1Cl 435178938 SXGASQFDIYYGRV-UHFFFAOYSA-N 295.795 3.908 30 20 CHED C=C(C)CSCc1ccc(C#N)cc1OC(F)F 439535067 FSTRFEWKDAAWJE-UHFFFAOYSA-N 269.316 3.969 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(OCC(F)(F)F)cc1 343563037 KZEIBKCVIAUOQQ-NSHDSACASA-N 298.308 3.582 30 20 CHED Cc1ccnc(NCc2c(F)cccc2Cl)c1C#N 343504802 CLNWRUFQUYRJCL-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CCN(Cc1ccc(F)cn1)Cc1ccccc1F 345805891 CRSWFHPGAQZLLM-UHFFFAOYSA-N 274.314 3.548 30 20 CHED C[C@@H](C#N)Sc1nccn1-c1ccc(C(F)(F)F)cc1 346720901 GKBCOMYQIMKSLP-VIFPVBQESA-N 297.305 3.895 30 20 CHED N#Cc1ccc(OCCNc2cc(Cl)ccc2F)cc1 247695464 ZUCXTKNNYALEST-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CCS[C@H]1CCC[C@H](Nc2snc(C)c2C#N)C1 342817115 MFDOLJNHZVOTFI-QWRGUYRKSA-N 281.450 3.799 30 20 CHED CC(C)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 345484732 MLGQSARUQMWZAN-CQSZACIVSA-N 299.418 3.726 30 20 CHED CSc1ccc(F)cc1CNCc1cc(C#N)cs1 344711746 IEWQNFXHALNDRC-UHFFFAOYSA-N 292.404 3.771 30 20 CHED CCOc1ccc(CNc2ccc(C#N)cc2COC)cc1 603278811 JLVRSPFETRTVOM-UHFFFAOYSA-N 296.370 3.715 30 20 CHED N#Cc1ccc(S[C@@H]2CCO[C@H](c3ccncc3)C2)cc1 600520288 IIYAEUUPLQQVQX-SJORKVTESA-N 296.395 3.966 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H](C)C1 345055183 DMMPXMYZHQZMCH-YOEHRIQHSA-N 284.403 3.733 30 20 CHED C[C@H](CCC#N)CNC[C@@H]1SCCc2ccccc21 602564494 SVXKUCNQBBIYJR-CJNGLKHVSA-N 274.433 3.546 30 20 CHED CCc1nnc(-c2cccc(NC[C@@H](C)CCC#N)c2)o1 602496875 GAECWTYPAQNDRF-LBPRGKRZSA-N 284.363 3.651 30 20 CHED Cc1nsc(N[C@@H]2C[C@H]2c2c(F)cccc2F)c1C#N 343046990 USMRMCJPXIWVNJ-PRHODGIISA-N 291.326 3.569 30 20 CHED CSc1cc(F)ccc1NC[C@@H](C)CCC#N 602704357 VWYWKMHTVWGYOV-JTQLQIEISA-N 252.358 3.899 30 20 CHED COc1ccc(O)c(C=Nc2cc(F)c(F)cc2F)c1 255585335 HPRWHUAMLFKRSC-UHFFFAOYSA-N 281.233 3.569 30 20 CHED N#CC1(CCCNc2ccc3ccoc3c2)CCOCC1 347869649 VVFNCUOQBAKEJO-UHFFFAOYSA-N 284.359 3.945 30 20 CHED Cc1ccc(C#N)c(N2C[C@@H](c3ccccc3C)C[C@@H]2C)n1 346813936 IGSLJSNJWHZJJK-RDJZCZTQSA-N 291.398 3.953 30 20 CHED CCc1ccc([C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 609019057 XFIMBMLERFZOPQ-CYBMUJFWSA-N 278.355 3.863 30 20 CHED N#Cc1ccc(/C=C\c2nc3ccccc3o2)s1 255765707 AETZTYAQOVRLMN-FPLPWBNLSA-N 252.298 3.931 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 341875633 JDNRYIUIMUDONN-JKSUJKDBSA-N 296.414 3.584 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)CCC(C)(C)C 602385966 FQYPXAXIEPDOFL-UHFFFAOYSA-N 276.355 3.817 30 20 CHED N#Cc1cc(F)cc(OCc2ncccc2C(F)(F)F)c1 340807911 YDEDXHIRXPZBIJ-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C[C@H](CCC#N)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 602582996 SZLXJGHFQRAALV-NUJGCVRESA-N 286.419 3.684 30 20 CHED CCCN(CC#N)Cc1cccc2c(OC)cccc12 449018803 UICDYCPCFBHGFH-UHFFFAOYSA-N 268.360 3.584 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)s1 602508122 SJFZWKIGZZVYTO-NSHDSACASA-N 298.839 3.590 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1ccc(OC(F)F)cc1 602512214 RXOKTIFZAJEICI-RYUDHWBXSA-N 282.334 3.878 30 20 CHED CC#CCNc1cccc(Oc2ccc(C#N)cc2)c1 539521163 QHTNQQZSLYNZPQ-UHFFFAOYSA-N 262.312 3.786 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N(CC#N)c2ccccc2)C1(C)C 604517863 VLHPGFHSXHCJAZ-CVEARBPZSA-N 282.387 3.782 30 20 CHED CSc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)o1 603423290 LRGTZIUUEWOLSR-NSHDSACASA-N 272.373 3.724 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccc2c(n1)CCCC2 446905612 UMNJGYPQDBUEGL-KGLIPLIRSA-N 258.409 3.651 30 20 CHED C=C[C@@H]1CCCCN1Cc1ncc(C(C)(C)C)s1 448351816 BHKWKIKDRQOMFB-GFCCVEGCSA-N 264.438 3.981 30 20 CHED C=C(CC)CN1CC[C@H](C(=O)OCC)c2ccccc21 444730097 NNEIXOWQTJNTTH-HNNXBMFYSA-N 273.376 3.510 30 20 CHED C=CCCCC[C@@H](C)NCc1sc(C)nc1C 358424193 IHASRXZOOSCGDY-LLVKDONJSA-N 252.427 3.984 30 20 CHED C=CCCCNC(=O)N(C)C1CCC(C(C)C)CC1 448385351 KXLUXGSYVSYYIB-UHFFFAOYSA-N 266.429 3.809 30 20 CHED C[C@@H](NCC1(C2CC2)CCC1)c1ccc(C#N)c(F)c1 539606384 CVNFHKPNSKYHFF-GFCCVEGCSA-N 272.367 3.928 30 20 CHED N#Cc1csc(CN2CCC[C@@H](Oc3ccccc3)C2)c1 352336902 BEYCHJOUZQSKIT-MRXNPFEDSA-N 298.411 3.663 30 20 CHED Cc1ccc(F)c(-c2noc(-c3cccc(CC#N)c3)n2)c1 445446302 OLNUJAIOPILVPU-UHFFFAOYSA-N 293.301 3.917 30 20 CHED COc1ccc(CN(CCC#N)Cc2ccccc2)cc1 264189589 DZYUWNVSFZAFPY-UHFFFAOYSA-N 280.371 3.611 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](CC)CC1CCCC1 359447522 SLQGKCLSIMCSDZ-HNNXBMFYSA-N 262.397 3.521 30 20 CHED COc1cc(CN2CCC(F)(C#N)CC2)cc2ccccc12 449316656 OUHSGWVPQDLXDF-UHFFFAOYSA-N 298.361 3.676 30 20 CHED N#CCc1ccc(C(=O)Nc2nccc3sccc23)cc1 359403489 VIHCMNQOXSKQTR-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 356369906 QQTXDASIRAJFFJ-OCCSQVGLSA-N 287.407 3.880 30 20 CHED C=C(C)CCc1noc(-c2cnc3ccc(F)cc3c2)n1 351624062 WGGWIGFPCZKVPV-UHFFFAOYSA-N 283.306 3.933 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@@H]1c1cccc(F)c1 611235933 FRESSRIJZFBHCW-QGZVFWFLSA-N 296.345 3.653 30 20 CHED CC(C)CN(C(=O)CCC1CC1)c1ccc(C#N)cc1 359413236 RORATFSQTDTFNR-UHFFFAOYSA-N 270.376 3.737 30 20 CHED C=CCCOCCCCC(=O)N1C[C@@H](C)CCC[C@H]1C 539402243 DHGSSJCNQDQDSV-JKSUJKDBSA-N 281.440 3.787 30 20 CHED C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CC 358616462 NBTPCHXUDXWFQJ-UHFFFAOYSA-N 290.436 3.676 30 20 CHED N#CC1(CSc2ccccc2Br)CC1 260911979 SWQRGPQQQYFWNR-UHFFFAOYSA-N 268.179 3.845 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc(C#N)c(Cl)c1 619754909 OJZGPLLZINULQV-NWDGAFQWSA-N 262.784 3.902 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 610014758 OICRZPJZDVVGFC-XEZPLFJOSA-N 297.402 3.798 30 20 CHED Cc1nc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cs1 618804905 MYEFPTFQIWSOFE-MEBBXXQBSA-N 283.400 3.661 30 20 CHED CCOc1cccc([C@H]2C[C@H]2Nc2ccc(C#N)cc2)c1 537189721 BKXNHCJZJDFIBC-QZTJIDSGSA-N 278.355 3.925 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CCc2cccs2)cc1 263841279 SAYMZILXRRFXCD-UHFFFAOYSA-N 298.411 3.936 30 20 CHED C=C[C@](C)(O)CC(=O)N(CC(C)C)c1cccc(Cl)c1 456788438 SMRRMWNXJSSYJK-INIZCTEOSA-N 295.810 3.656 30 20 CHED CCc1nc(C)c(CSc2ccc(C#N)cc2)o1 450813940 XNVLFGJNEHCUJG-UHFFFAOYSA-N 258.346 3.709 30 20 CHED C=CC(C)(C)CN[C@H](CCn1cncn1)c1ccc(C)cc1 453308745 NXZXJJIEJKADFA-QGZVFWFLSA-N 298.434 3.520 30 20 CHED CC(C)(C)c1ccc(OCCNc2cnccc2C#N)cc1 534717121 MFGOLRLXMUEESQ-UHFFFAOYSA-N 295.386 3.742 30 20 CHED C=CCC1(NC(=O)c2cccc(OC)c2C)CCCC1 619109990 BAGGDNPUFKBZIK-UHFFFAOYSA-N 273.376 3.622 30 20 CHED N#CCCCC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 361743107 LFDKHKKFHRPXAD-UHFFFAOYSA-N 296.292 3.505 30 20 CHED C=C(C)CCNC(=O)N1CC2(CCC2)c2ccccc21 459003070 OFJYGFDCSCXNPW-UHFFFAOYSA-N 270.376 3.604 30 20 CHED CCc1cnccc1[C@@H](C)NCc1ccc(C#N)c(F)c1 361772608 YUOZYFFLHIQXAZ-GFCCVEGCSA-N 283.350 3.506 30 20 CHED C=CCC1(C(=O)NCCC[C@H]2CCCCO2)CCCCC1 450608935 CKOXOTMHGFUNTP-MRXNPFEDSA-N 293.451 3.979 30 20 CHED CC(C)n1ccc(NCc2ccccc2C(C)(C)C#N)n1 279996086 HGUPUTLZWIZOBM-UHFFFAOYSA-N 282.391 3.877 30 20 CHED C=CCCCCNC(=O)N1CCc2cccc(F)c2[C@H]1C 545321522 JHEDOEDEJKGEHH-CYBMUJFWSA-N 290.382 3.811 30 20 CHED CC(C)CN(Cc1ccccc1)Cc1cc(C#N)n(C)c1 361498236 SMJIUSSGRSJGFK-UHFFFAOYSA-N 281.403 3.555 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 540411344 ALNQHLFVOADPBL-ZWKOTPCHSA-N 291.410 3.974 30 20 CHED Cc1cc(CNCC(C)(C)CC#N)ccc1Cl 459726263 DNXIEHMTTFSWEH-UHFFFAOYSA-N 250.773 3.678 30 20 CHED C=C(CC)CSCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 540193222 GHJXZHKPRVBHCF-MGPQQGTHSA-N 269.454 3.627 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CC[C@@H](C)c2ccccc21 453350130 IWLDXDRWRKYUCM-YYQUZTFQSA-N 257.377 3.558 30 20 CHED C=CCCCCNC(=O)c1cn(CC(C)C)nc1C(F)F 450694032 NLOXETVPSUQERN-UHFFFAOYSA-N 299.365 3.563 30 20 CHED C=C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 275893326 QQHKCIOWKHKMFX-UHFFFAOYSA-N 287.256 3.637 30 20 CHED C=C[C@@H](CC(=O)NCC1CC(C)(C)C1)c1ccccc1 548712180 FJWMNFPJFOQKNR-HNNXBMFYSA-N 271.404 3.899 30 20 CHED CC#CCCNC(=O)Nc1ccccc1CCC(F)(F)F 541741695 XCAYXOAKGHUESJ-UHFFFAOYSA-N 298.308 3.716 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)CCCCC1 456372750 UZIQADQHCGFNJW-LBPRGKRZSA-N 289.423 3.525 30 20 CHED CCN(Cc1ccncc1)[C@H](C)c1cccc(C#N)c1 276056985 PNRFPUBHSSYKNG-CQSZACIVSA-N 265.360 3.536 30 20 CHED C=CC[C@H](C)NC(=O)c1c(-c2ccccc2)noc1CC 279726797 BWYUVFUJURYLTQ-LBPRGKRZSA-N 284.359 3.598 30 20 CHED C[C@@H](Cc1coc2ccccc12)NCC(C)(C)CC#N 459732099 ONJGOYBFPOMIBZ-ZDUSSCGKSA-N 270.376 3.893 30 20 CHED C=CCC[C@@H](CC)N[C@H](CCOC)c1ccco1 272513056 GQULQWXFVHMXTI-ZIAGYGMSSA-N 251.370 3.692 30 20 CHED C=CC1CCN(Cc2cc(C)c3ncccc3c2)CC1 544347405 SDNJRPIGCYWHIX-UHFFFAOYSA-N 266.388 3.941 30 20 CHED C=CCCCCNC(=O)NC1CC(C)(c2ccccc2)C1 543628252 NPYLFDKLAJVSGR-UHFFFAOYSA-N 286.419 3.762 30 20 CHED C=CC[C@@H](CC)NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 374195282 VIXBXNJTZZQYMI-JXDCTMMDSA-N 279.399 3.766 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 464717629 YTIOYJXRRIUXKM-HNNXBMFYSA-N 276.336 3.698 30 20 CHED C=CCC1(CNCc2cnc3ccccc3n2)CCCC1 628300663 QOWKTDLQAXQCTL-UHFFFAOYSA-N 281.403 3.856 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(N2CCCCC2)nc1 467734408 RDTOPHLZTVWPKZ-UHFFFAOYSA-N 299.418 3.779 30 20 CHED C=CC[C@@H](CC)N[C@H](C)CC(=O)Nc1ccc(C)cc1C 281162012 BNHYFWAEOKBEDG-HZPDHXFCSA-N 288.435 3.965 30 20 CHED COc1cc(C)ccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 461924121 TZQFUYQWEDSYHW-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C)C(F)(F)F)c1ccccc1 289971312 CULDNIZSQPWPDD-AAEUAGOBSA-N 285.309 3.803 30 20 CHED N#Cc1cccc(CCNCc2cc3ccc(F)cc3[nH]2)c1 466423369 RMXVSMDLEVVTGX-UHFFFAOYSA-N 293.345 3.511 30 20 CHED C=CCN(CC[C@H]1CCCO1)CC1CCCCC1 469587783 XNXARPKDYXNQQF-MRXNPFEDSA-N 251.414 3.624 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1OCCCC 465158884 PBCHJDZTBLPILE-GFCCVEGCSA-N 262.353 3.562 30 20 CHED C=CCOc1ccc(CN[C@@H](CC)CC=C)cc1OC 466398899 KMUUQUCHTVZZKZ-HNNXBMFYSA-N 275.392 3.704 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(C)c1F 639404329 MVWDYDGOSKOSDA-KRWDZBQOSA-N 296.345 3.887 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1nnc(C)c(C)c1C#N 553583005 GQNVCHDSWJXKHX-RAXLEYEMSA-N 292.386 3.505 30 20 CHED Cc1ccc(-c2ccnn2C)cc1N[C@H]1CCC[C@H](C#N)C1 281156017 BBPMVWSDUOQXCN-HOCLYGCPSA-N 294.402 3.890 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(CC)CC1CC1 460386244 JVTZUACIJHZTCW-CYBMUJFWSA-N 276.428 3.604 30 20 CHED N#C[C@H]1N(CCCc2ccccc2)CCC[C@]12CCCCO2 375693701 RBKTYWBEAWYOLY-RTBURBONSA-N 298.430 3.546 30 20 CHED N#CCC[C@H](NC(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1ccccc1 556748884 ZZPMKAHIOMOBAN-QZWWFDLISA-N 297.402 3.519 30 20 CHED C=CCCN(C)C(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C 467065516 ZGHCHOKQSWINRF-HNNXBMFYSA-N 295.810 3.778 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1sccc1C 281103651 QIWJWQUIKUXPAE-XQQFMLRXSA-N 263.406 3.631 30 20 CHED COc1ccccc1[C@@]1(C)C[C@@H]1Nc1ccc(F)cc1C#N 462869853 IIRDVJRQLOTIBT-ZWKOTPCHSA-N 296.345 3.848 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(C)=C(Br)C1 280749606 HBNPKOJGJSTGFK-UHFFFAOYSA-N 298.224 3.656 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)c1ccccc1)c1cccc(C#N)c1 461745592 KLPKQKVOKRAVDA-HUUCEWRRSA-N 292.382 3.881 30 20 CHED C[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)C1CCCCC1 464706553 FDJDNXSNWKJKGL-OCCSQVGLSA-N 264.413 3.647 30 20 CHED CC(C)(C#N)CCCN(C#N)c1cccc(Cl)c1 280000262 RZKVQUROVXMCBO-UHFFFAOYSA-N 261.756 3.957 30 20 CHED CCc1ccc(CC(=O)N[C@@](C)(C#N)C2CCCCC2)cc1 559595113 QGEFZTQIYGNGJA-IBGZPJMESA-N 298.430 3.770 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](CN(C)C)c1ccc(F)cc1 558255342 LLEOZTZVLJYRIN-VBQJREDUSA-N 278.415 3.619 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 465260100 FTSAMBUMZFKCND-NSHDSACASA-N 292.354 3.843 30 20 CHED CCc1ccc(F)cc1C(=O)[C@H](C#N)c1nc(C)cs1 633894505 KMPXUDSLVYAOOD-ZDUSSCGKSA-N 288.347 3.643 30 20 CHED C[C@@H](CNc1c(Cl)cccc1C#N)C(F)(F)F 475735108 QUMRVRCVGKWMBQ-ZETCQYMHSA-N 262.662 3.822 30 20 CHED C[C@H](C#N)OCCN[C@@H](CC1CCCC1)c1ccccc1 801938901 KCYKDWWSHVXBKA-QAPCUYQASA-N 286.419 3.826 30 20 CHED C#Cc1ccc(CNc2cccc(COCC)c2)cc1 809599899 NLANFHPBMYGMJV-UHFFFAOYSA-N 265.356 3.817 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCc2cc(C)ccc21 472951073 MBQZFQHSQOLVGW-INIZCTEOSA-N 272.392 3.638 30 20 CHED COc1ccc2oc(C=NNCC3CCCC3)cc2c1 808007138 REYHDWMBCQDGTP-UHFFFAOYSA-N 272.348 3.555 30 20 CHED CC(C)C(Cn1cccn1)=NNc1ccc(Cl)c(F)c1 802711205 OFRXFYBUNCOYLN-UHFFFAOYSA-N 294.761 3.800 30 20 CHED Cc1ccc2[nH]c(CN(C[C@H](C)C#N)C3CC3)cc2c1C 473134526 XTISRBVMAXDXIA-GFCCVEGCSA-N 281.403 3.909 30 20 CHED Cc1ccc(/C=C2\C[C@@H](C(=O)O)c3ccccc3C2=O)s1 806560247 KFZWTPQDZMSKHM-KUCQQTCKSA-N 298.363 3.895 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NN[C@H]2CCSC2)C1 808003544 OTOXYDPWGDOKOE-JKSUJKDBSA-N 274.433 3.579 30 20 CHED O=C(Cc1cc(F)ccc1C(F)(F)F)C(F)(F)F 95634681 CEDHKCSJUYGVQY-UHFFFAOYSA-N 274.135 3.518 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1ccc(C)cn1 807569438 GIYUWJGAOFYILW-UHFFFAOYSA-N 289.423 3.668 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cc(F)ncc1F 806568509 YIUXOENYZJKKTB-PLNGDYQASA-N 289.281 3.573 30 20 CHED COC(=O)c1cc([C@@H](C)Nc2ccc(CC#N)cc2)oc1C 292355862 FKCUPUTYTXAAHJ-LLVKDONJSA-N 298.342 3.614 30 20 CHED C=CC[C@@H](CO)CN[C@@H]1CCCc2ccc(SC)cc21 567869450 ALYSWYJYCRJUFS-CXAGYDPISA-N 291.460 3.560 30 20 CHED CC[C@@H](C)n1ncc(Nc2ccc(Cl)c(C#N)n2)c1C 477696933 RJCDBHRVYPVOJI-SECBINFHSA-N 289.770 3.826 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2sc(C)nc2c1 806402847 MXMUJTMETFYHQV-LLVKDONJSA-N 287.388 3.528 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@H](C)CCC 298465802 YFRCFKLOTAOTDI-CYBMUJFWSA-N 261.365 3.512 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccsc2C)cc1 295213347 AHABBHLOASEIFV-OAHLLOKOSA-N 284.384 3.614 30 20 CHED CC(C)C[C@@H](C)N1CCCN(c2ccccc2C#N)CC1 560701013 ZCBRFLQDEGMEAZ-MRXNPFEDSA-N 285.435 3.505 30 20 CHED C=CCCCCNC(=O)c1c[nH]cc1-c1ccccc1 474575338 MCIOUSPRAXBWIJ-UHFFFAOYSA-N 268.360 3.768 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC[C@@H]2CCCF)c1 800805668 XQTZGRNBVUTVQB-LLVKDONJSA-N 279.315 3.913 30 20 CHED CCC(=NNC[C@H](C)C#N)C12CC3CC(CC(C3)C1)C2 811645561 RMDSNAOTOWAFRE-JISDDCRVSA-N 273.424 3.718 30 20 CHED c1ccc([C@H]2CCC(=NNc3ccccn3)C2)cc1 814731488 BNSJIRDERXBVNB-AWEZNQCLSA-N 251.333 3.817 30 20 CHED C#Cc1ccccc1CC(=O)Nc1nc(C(C)(C)C)cs1 810022835 FGSHQTKUUKWYFU-UHFFFAOYSA-N 298.411 3.603 30 20 CHED COc1cc(C(C)=NOC/C=C\Cl)ccc1SC 811671019 LQEGFFWNPZSDIB-AUZNDJKCSA-N 285.796 3.910 30 20 CHED C=CCC[C@@H](NCCN(C)[C@@H](C)CC)c1ccco1 560526936 JCRQIMVARNHYSQ-LSDHHAIUSA-N 264.413 3.607 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@]12CCC[C@@H]1C2 569684097 BXUZSXDMUZZOMK-DYVFJYSZSA-N 283.375 3.509 30 20 CHED CC(=NOCC1CC1)c1cccc(-c2ccncc2)c1 814243808 OESZPKULIHFFRZ-UHFFFAOYSA-N 266.344 3.899 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1c1ccccc1 488561765 GYJWIEXLTMGVKI-MRXNPFEDSA-N 280.371 3.651 30 20 CHED CC(C)OC1CC(=NNc2ncc(Cl)cc2Cl)C1 814740005 FRBLMHBVURUSLX-UHFFFAOYSA-N 288.178 3.744 30 20 CHED CC(=NNc1cc(Cl)nc(Cl)c1)[C@@]1(C)CCCO1 819828647 LJBWEUFWRAKVMV-GFCCVEGCSA-N 288.178 3.745 30 20 CHED N#CCC1(OC(=O)COc2cccc3ccccc23)CCC1 810856214 OFTSEVHYCNLSOA-UHFFFAOYSA-N 295.338 3.598 30 20 CHED CC[C@@H](C=NNc1cccc(OC)n1)c1ccccc1 814900130 FMOYPGIHVRWBEB-ZDUSSCGKSA-N 269.348 3.682 30 20 CHED C[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)C1 813217654 ILEAOOIJGAVWLZ-CKYFFXLPSA-N 296.292 3.713 30 20 CHED CC[C@H](CC#N)NCc1c(C)cc(C)c(C(C)=O)c1C 571295018 MLLSOLCMDFWWBQ-OAHLLOKOSA-N 272.392 3.596 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](C)c1cc2ccccc2s1 812034313 HFXUJKIEMSXKJO-WCQYABFASA-N 286.400 3.673 30 20 CHED C#CCON=C(CC)c1ccc(Cl)c(Cl)c1 812232817 JGBKPMJJCDYICI-UHFFFAOYSA-N 256.132 3.757 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(Cl)cc1 573366039 FOTKYHAUMLHDPN-NOLJZWGESA-N 279.811 3.972 30 20 CHED C=C(C)CNC(=O)N1Cc2ccccc2-c2ccccc2C1 488601807 TVWKOTQORRIMQU-UHFFFAOYSA-N 292.382 3.955 30 20 CHED N#Cc1cc(Sc2c(Cl)cccc2Cl)ncn1 571264225 LPSRRMJOFZIQRF-UHFFFAOYSA-N 282.155 3.806 30 20 CHED Fc1cccc(Br)c1C=NOC/C=C/Cl 811672229 UAKMJIFWQBNFOJ-UAXPWUOOSA-N 292.535 3.691 30 20 CHED COc1ccc(F)cc1C=NNc1cccc(Cl)c1 812222038 JIAPKCTVTLYCQV-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CSc1ccc(C=NNc2ccc3[nH]ncc3c2)s1 814900032 AJYMRJAHZZCLJA-UHFFFAOYSA-N 288.401 3.792 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc3oncc3c2)c1 814813151 JBIUQUKBJLFJFR-UHFFFAOYSA-N 273.242 3.552 30 20 CHED N#Cc1ccccc1OCCCc1cccc(F)c1 483982900 WKIHCSUXKHACOG-UHFFFAOYSA-N 255.292 3.709 30 20 CHED CC(=NNCCCc1ccccc1)c1cc(C)oc1C 729148148 PRAVJCSZDGRMFS-UHFFFAOYSA-N 270.376 3.843 30 20 CHED C=C(C)CNC(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 488561748 QVVNBYZLCMNVRJ-XJKSGUPXSA-N 272.392 3.575 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC2(CC1)CC2 811664553 FXZFMOKXSXXQAK-AWEZNQCLSA-N 272.392 3.754 30 20 CHED C=C(C)COc1cccc(NC(=O)NC[C@H]2CC23CC3)c1 579690898 OZPYQSXDVSWNRW-CYBMUJFWSA-N 286.375 3.563 30 20 CHED Brc1cnn(N=C2CCCC23CCCC3)c1 814884613 PVKNFOCHNOFYDJ-UHFFFAOYSA-N 282.185 3.594 30 20 CHED C=CCCCCOC(=O)c1cccc([C@H]2CCOC2)c1 811014054 ORIWRGWDZHLULR-INIZCTEOSA-N 274.360 3.704 30 20 CHED CC(=O)c1cc(NC(=O)C2(C#N)CCCCC2)ccc1C 578375681 DFRDNGBZGRKOBS-UHFFFAOYSA-N 284.359 3.610 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc(SCC)c1)C(C)C 821559404 GWFPVPWKRKVREL-CQSZACIVSA-N 276.405 3.578 30 20 CHED Cc1ccc(NC[C@@H](C#N)CCC#N)cc1C(F)(F)F 577386496 NSJGFUGCIVBCGF-LLVKDONJSA-N 281.281 3.869 30 20 CHED CC1(C#N)CN(Cc2cnc(C3CCCCC3)s2)C1 575967593 MKEIZTIDTCRSDT-UHFFFAOYSA-N 275.421 3.536 30 20 CHED C#CCCCCNC(=O)C1(Cc2cccc(Cl)c2)CC1 827048150 JBHJDPFSFCRLPT-UHFFFAOYSA-N 289.806 3.582 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H]1c1ccc(F)cc1 661121115 ATXAYGFFTXSUGL-CABCVRRESA-N 276.355 3.637 30 20 CHED C#CCCOc1ccc(C(=O)N2CC[C@H](C(C)(C)C)C2)cc1 828327471 CCNCIZOUZDLBEU-INIZCTEOSA-N 299.414 3.597 30 20 CHED Cc1nsc(NC[C@H]2CCCO[C@H]2C(C)(C)C)c1C#N 587981522 ZLIZAPUGPJUXRA-DGCLKSJQSA-N 293.436 3.576 30 20 CHED N#Cc1ccsc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 497989425 JLSNOZKUZNUXAM-OUCADQQQSA-N 288.416 3.708 30 20 CHED C=CCN(C(=O)N[C@@H]1CCc2c(C)cccc21)C(C)C 729621059 BPWLICSXNJJSLF-MRXNPFEDSA-N 272.392 3.588 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1nccnc1C#N 726593371 PLFKOGXTLPVZCJ-CHWSQXEVSA-N 272.396 3.613 30 20 CHED CC[C@@H](C)CN(C)Cc1cc(C#N)ccc1Br 492722209 MRLVCKBUPRUHDK-LLVKDONJSA-N 295.224 3.799 30 20 CHED C=CCC[C@H](NC[C@H](O)C1CCCCC1)c1ccco1 581256730 ISIPAFQPBGLHSD-HOTGVXAUSA-N 277.408 3.818 30 20 CHED CC[C@H](NCc1ccc(COC)cc1)c1cccc(C#N)c1 902734806 WJKSCORGDXTSTA-IBGZPJMESA-N 294.398 3.946 30 20 CHED CC[C@@H](C)N(C)CCNc1cc(C#N)ccc1C(F)(F)F 583413838 ZYYXJRQRRLFPAU-LLVKDONJSA-N 299.340 3.719 30 20 CHED CCO[C@@H](C/N=C\c1ccccc1O)c1ccccc1 588597143 UGKLWDYMBCDZDS-KMTKGMGQSA-N 269.344 3.589 30 20 CHED C#C[C@@H](NCc1cccc(O)c1)c1ccc(Cl)cc1 491727078 KRHNUOGWYWOUCV-MRXNPFEDSA-N 271.747 3.510 30 20 CHED CCCCCCCCNC(=O)N[C@H]1C[C@H](C)n2ccnc21 836374287 OEFNLYBBIQZYQK-KBPBESRZSA-N 292.427 3.549 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCC(F)(F)C2)C1 664482740 SJOWDQSUMYUHKN-CHWSQXEVSA-N 286.366 3.562 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCC[C@H](F)C2)c1 582546086 ZKQOQGAFPYJAIF-LSDHHAIUSA-N 263.356 3.622 30 20 CHED C#CCCCCCC(=O)Oc1ccc(Cl)cc1C(=O)O 833362045 WVNREKDUBLLDRU-UHFFFAOYSA-N 294.734 3.527 30 20 CHED N#CC1(C(=O)OCCc2c(Cl)cccc2Cl)CCC1 835485863 WQXXMKDJVDWPCY-UHFFFAOYSA-N 298.169 3.773 30 20 CHED C=CC(C)(C)C(=O)Oc1ccc2c(c1)C(=O)CC(C)(C)O2 835383179 HOSMFVMUNIFTQS-UHFFFAOYSA-N 288.343 3.548 30 20 CHED C=C[C@@H](CC)OC(=O)C1(Cc2ccccc2)CCOCC1 835273675 GLOVNJFJIZAVHL-INIZCTEOSA-N 288.387 3.534 30 20 CHED C#CCOc1ccc(NC(=O)C[C@H](C)CC(C)C)cc1 730981292 LYWNADJXGBVXTN-CQSZACIVSA-N 273.376 3.709 30 20 CHED COCOc1ccc(C#N)cc1-c1ccc2c(c1)C[C@H](C)O2 904880428 BCVZYQGXSKDMOQ-LBPRGKRZSA-N 295.338 3.531 30 20 CHED C=CCCCOC(=O)c1cnn(-c2ccc(C)cc2)c1C 735525432 HPABXILBCHAQKT-UHFFFAOYSA-N 284.359 3.612 30 20 CHED C=CCOc1cccc(CN[C@@H](C)c2cnccc2C)c1 678361487 DFEZWNPLDFYNKF-HNNXBMFYSA-N 282.387 3.806 30 20 CHED C=C[C@H](CC(=O)Nc1nc(CCC)co1)c1ccccc1 580567344 WKFDIFDGINVMGQ-CYBMUJFWSA-N 284.359 3.926 30 20 CHED C=CCN(CCOc1ccccc1F)Cc1ccccc1 502335599 WORIIFVELKWELG-UHFFFAOYSA-N 285.362 3.893 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(O)cc1 739422458 VEKRLNPYFYVERB-UHFFFAOYSA-N 295.264 3.642 30 20 CHED Clc1cccc(NN=Cc2ccc3c(c2)CCO3)c1 917531224 BTJOUHFRKDENMR-UHFFFAOYSA-N 272.735 3.721 30 20 CHED C=CC[C@@H](C)NC(=S)N[C@H](CC)c1cccs1 734987123 OLCUHKIIXBNMQO-GHMZBOCLSA-N 268.451 3.628 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=S)NN=C1CCCC[C@H]1C 916277241 ALONMRYVKRVFSQ-XQQFMLRXSA-N 281.469 3.595 30 20 CHED CCCNC(=S)NN=Cc1ccccc1-c1ccccc1 917540161 ZQZQYTQUPYUCFI-UHFFFAOYSA-N 297.427 3.562 30 20 CHED CCc1ccc(C/N=C\c2cc(OC)ccc2O)s1 915980110 WZNISAWZJJPURQ-SXGWCWSVSA-N 275.373 3.644 30 20 CHED C=C(C)[C@@H](NC(=O)OC1CCC1)c1ccc(F)c(F)c1 831134715 AGINGYOPIWLOII-CQSZACIVSA-N 281.302 3.861 30 20 CHED CC(C)C[C@H](C(=O)N[C@@H](C)CC#N)c1ccc(Cl)cc1 596998783 QQEJPTJHWROBDS-WFASDCNBSA-N 292.810 3.888 30 20 CHED C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)C#CC(C)(C)C 837509697 QXYUMFVBYCICAL-OLZOCXBDSA-N 287.378 3.709 30 20 CHED CC[C@@H](C#N)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 593518336 ZESQADKDLOPAPG-ZDUSSCGKSA-N 292.810 3.575 30 20 CHED C=C(C)CONC(=O)Nc1cccc(SC(F)F)c1 844529081 OVOYTZULAXICEA-UHFFFAOYSA-N 288.319 3.631 30 20 CHED Cc1ccc2c(c1)CN(C(=O)CC1(C#N)CCCCC1)CC2 597966471 VNEDQJKIMLXLIR-UHFFFAOYSA-N 296.414 3.744 30 20 CHED CCCN(Cc1ccccc1F)[C@H]1CC[C@H](C#N)C1 595781185 ACBGQRKTQSMQDB-ZFWWWQNUSA-N 260.356 3.730 30 20 CHED C[C@H](CN1CCC[C@H](CC#N)C1)c1ccc(F)cc1 597178058 UZFSFUVFIYSXBF-ZIAGYGMSSA-N 260.356 3.555 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1ccccc1Cl 916240681 KJMYESIGCYXQPP-UHFFFAOYSA-N 288.734 3.874 30 20 CHED C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)[C@H](C)c1ccccc1 746815358 HVBYJULAJLQNDT-ISIGILQNSA-N 298.342 3.912 30 20 CHED CC/C(=C\C(=O)N(C)[C@H](C#N)CC)c1cccc(Cl)c1 847167977 KIWFJOROBACXEU-PABFRNLHSA-N 290.794 3.894 30 20 CHED CCCc1ccc(/C=C(\C)c2nc(=O)c(C#N)c(C)[nH]2)s1 598698202 QAAVFMHSCIJGNI-CSKARUKUSA-N 299.399 3.525 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccccc1OC(C)C 917558185 MSOJGXGJRTYXKR-UNOMPAQXSA-N 299.370 3.807 30 20 CHED C#C[C@@H](OC(=O)C(C)(C)C)c1cccc(C(F)(F)F)c1 842409874 SPRJZKUKLPIERF-GFCCVEGCSA-N 284.277 3.969 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)c(C(=O)OCC)c1 748533422 UARUPRNHVGPITJ-UHFFFAOYSA-N 295.766 3.812 30 20 CHED Cc1cc(/C=C/C(=O)c2cc3c(s2)CCCC3)n(C)n1 841485977 RDYQLDJMBBFRFJ-BQYQJAHWSA-N 286.400 3.565 30 20 CHED CCC(C#N)(CC)C(=O)NCC1(Cc2ccccc2)CCC1 599673296 YEZAHXXXYCZXTE-UHFFFAOYSA-N 298.430 3.846 30 20 CHED CCS[C@@H]1CCC[C@@H](Nc2nc(C#N)ccc2C)C1 596152414 XCMPDPRSZDJAIR-TZMCWYRMSA-N 275.421 3.738 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(C#N)c(Cl)c1 590759521 DYLMHBIZSFSWPV-MEDUHNTESA-N 290.794 3.654 30 20 CHED COc1cccc(/C=N/[C@@H](C)CCCc2cccnc2)c1O 840712389 YCYZQKWLQJCQAH-ZXOFLVKFSA-N 298.386 3.626 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2scnc21 599043775 KYQPJCRZJLHYOA-LSDHHAIUSA-N 295.411 3.669 30 20 CHED COc1ccc(CNN=Cc2c(C)cc(C)cc2C)cc1 917549241 SVURHGOEBWGCST-UHFFFAOYSA-N 282.387 3.744 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N(C3CC3)[C@H](C)C#N)oc12 598129456 IJHKJJXCAMKZOL-GFCCVEGCSA-N 296.370 3.875 30 20 CHED N#Cc1ccc(Cl)cc1OCc1cc(C2CC2)no1 594891979 QOHBBRSDCDHOLD-UHFFFAOYSA-N 274.707 3.656 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccnn2CC(C)C)cc1 843270104 WHPIGCDGXVSZMK-YFHOEESVSA-N 298.386 3.834 30 20 CHED COCc1cccc(C=NNc2cc(F)c(F)c(F)c2)c1 747642311 MGUZIPCAGJWTCD-UHFFFAOYSA-N 294.276 3.696 30 20 CHED C[C@H](C#N)N(CCc1cccc(OC(F)(F)F)c1)C1CC1 595712347 KDVWYFJCJDCSPT-LLVKDONJSA-N 298.308 3.504 30 20 CHED C#CCN(C(=O)NC[C@@H]1CCC[C@@H](C)C1)C1CCCCC1 744856902 BBLTVMRXURRUNJ-HZPDHXFCSA-N 290.451 3.790 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cc2c(cc1Cl)OCCO2 925963598 RCNYLUNVDRJBJN-SNVBAGLBSA-N 294.782 3.851 30 20 CHED C#CCN(C(=O)Nc1ccccc1C(C)(C)C)C(C)C 929195003 UFSYPEWIZXEQFW-UHFFFAOYSA-N 272.392 3.860 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cn(C)nc1CC 684411063 FAJOUYMBQWJVHW-UHFFFAOYSA-N 283.419 3.561 30 20 CHED CCc1c(N[C@H](C)CC(C)(C)C#N)cnn1CC(C)C 925947921 YAHBVGIVYQJGFH-CYBMUJFWSA-N 276.428 3.842 30 20 CHED CCCC1(C(=O)OCc2cc(F)ccc2C#N)CCC1 759450805 VHSKWYUTFXXSQH-UHFFFAOYSA-N 275.323 3.711 30 20 CHED CC(C)OC(=O)O[C@@H](C)Sc1ccc(C#N)cc1 756945868 HADPREMPZIOYPH-SNVBAGLBSA-N 265.334 3.558 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ocnc1C1CC1 851141546 BCRKOVAOZDLPFN-DGCLKSJQSA-N 275.348 3.844 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cc(Cl)cs1 758749476 RNOWMENRAHIHRI-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CCCCCCCC(=O)NCc1ccnc(OC(C)C)c1 752361184 URPLDQBJZXSJDR-UHFFFAOYSA-N 292.423 3.846 30 20 CHED C/C(=C/C(=O)OCCCCC#N)c1cccc(Cl)c1 750573467 PLVYZEYLIROYSO-BENRWUELSA-N 277.751 3.980 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCCCCC(C)(C)C#N 924395392 PGNNUNZLESVLMQ-UHFFFAOYSA-N 284.359 3.744 30 20 CHED Cc1cc(F)ccc1/C=C1/COc2c(F)cccc2C1=O 750910462 UKASULVYBFAHEU-WQLSENKSSA-N 286.277 3.932 30 20 CHED C[C@@H]1Cc2cc(NCc3cc(C#N)cs3)ccc2O1 922907215 DTHDDDLAHCVNTM-SNVBAGLBSA-N 270.357 3.555 30 20 CHED C=CCCONC(=O)C[C@@H](CC)c1ccc(C)cc1 856032663 RLDMMSSAGUQCEW-CQSZACIVSA-N 261.365 3.503 30 20 CHED C#CCCOc1ccc(C=NN[C@@H](C)c2ccccc2)cc1 920382880 QEGSVWMIOOAPKU-INIZCTEOSA-N 292.382 3.773 30 20 CHED C=CCSCCN[C@H](c1ccc(C)cc1)c1cccnc1 925355053 ZZPZAUSSQYXYDI-GOSISDBHSA-N 298.455 3.988 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccccc1 757768152 MJIAPJOBAZDKFO-NJAFHUGGSA-N 298.430 3.971 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 933130566 SLMSQBZQEANGQM-IIAWOOMASA-N 281.440 3.546 30 20 CHED CCCCCCCNC(=O)C[C@H](C)c1c(C)noc1C 862357702 DDXKWNIYVRJZOJ-LBPRGKRZSA-N 280.412 3.872 30 20 CHED CCCCCCCCc1nc(Cc2cc(C)on2)no1 762099985 CTJGTJWTDAJVBP-UHFFFAOYSA-N 277.368 3.860 30 20 CHED CCCCCCCCCN(C)C[C@@H]1CC2(CC2)C(=O)O1 763673955 VITJGFBOOKOKSI-HNNXBMFYSA-N 281.440 3.765 30 20 CHED CCC[C@@H](C(=O)Oc1ccc(C#N)cc1F)C(C)C 764295079 QSCAFNUPFBOPLS-GFCCVEGCSA-N 263.312 3.675 30 20 CHED CCC(CC)NN=C1CCC(C(F)(F)F)CC1 766025806 UPPSMRIWJWOLNA-UHFFFAOYSA-N 250.308 3.873 30 20 CHED Cc1ccc(C)c2c1CCCC2=NOCC(F)F 769802418 RMWALNIKHHVZMD-UHFFFAOYSA-N 253.292 3.626 30 20 CHED C=CC[C@H](NC(=O)c1cc(C)c(F)c(C)c1)c1ccncc1 764023600 WQYRUKCYBCMQQQ-INIZCTEOSA-N 298.361 3.885 30 20 CHED Oc1nc2ccccc2cc1/C=N/[C@H]1CCC(F)(F)C1 763097126 PRAKJWYEMGEHDS-BEAUZRKQSA-N 276.286 3.547 30 20 CHED C#C[C@@H](CC)OC(=O)c1csc(-c2ccccc2F)n1 768050153 PEKIODILSNOKRQ-JTQLQIEISA-N 289.331 3.518 30 20 CHED CC(C)O[C@@H]1CC(=NNc2ccc(F)cc2)C1(C)C 764887245 XRDNCUVACAKIOJ-CQSZACIVSA-N 264.344 3.817 30 20 CHED N#CC1(OC(=O)c2cc(Cl)ccc2Cl)CCC1 762097994 OTQHJOXDYNOZNO-UHFFFAOYSA-N 270.115 3.596 30 20 CHED COCc1ccccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 764612752 IZBDDITYNAOKAB-ZDUSSCGKSA-N 295.338 3.623 30 20 CHED CC(=NNc1cccc(C#N)c1)c1cc(F)ccc1F 767360772 JRHIXJDIKBVCAM-UHFFFAOYSA-N 271.270 3.673 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)[C@@H]1CCc2c(Cl)cccc21 765631158 LEODKHFAFGBPEX-TZMCWYRMSA-N 291.778 3.851 30 20 CHED C#CCN[C@H](CCC)c1cccc(C(F)(F)F)c1 764600451 YXIPMXYRTWOUOX-CYBMUJFWSA-N 255.283 3.769 30 20 CHED CCCC(=NNC1CCOCC1)c1cc(C)sc1C 863100100 PVODAFBGUQIPKF-UHFFFAOYSA-N 280.437 3.638 30 20 CHED COc1ccc(N=Cc2ccccc2O)c2ncccc12 769718747 UTFBHNUWWDDNTD-UHFFFAOYSA-N 278.311 3.700 30 20 CHED FC(F)(F)c1cccc(NN=CC[C@@H]2CCOC2)c1 765549431 VLIJYQGUHYAWMU-SNVBAGLBSA-N 272.270 3.530 30 20 CHED FC(F)(F)C1CCC(=NO[C@@H]2CCCCO2)CC1 766024736 IEAIOFPBUOGLID-HCCKASOXSA-N 265.275 3.638 30 20 CHED CC(CCCCO)=NNc1nc(-c2ccccc2)cs1 766689824 LPYIMJZQVNXCSX-UHFFFAOYSA-N 289.404 3.761 30 20 CHED Cc1oc(C)c(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1C 764610539 YEXNDOIBFVTPRQ-LBPRGKRZSA-N 283.327 3.995 30 20 CHED C=CCOc1ccc(COC(=O)[C@H](C)C(C)C)cc1 763644207 PNKDMGNXJZRGOB-CYBMUJFWSA-N 262.349 3.587 30 20 CHED C=CCN(C(=S)Nc1c(C)cccc1C)C1CC1 771541529 IMYRTYMMAHDXAX-UHFFFAOYSA-N 260.406 3.651 30 20 CHED C#CCCCCCC(=O)N[C@H](CC)c1nc(C)cs1 779905030 POYVNHDDPCEZAL-CYBMUJFWSA-N 278.421 3.603 30 20 CHED COC(=O)Cc1ccccc1-c1ccc(C2(C#N)CC2)cc1 871886749 RUZIEWJUVUZJKQ-UHFFFAOYSA-N 291.350 3.624 30 20 CHED COc1ccc(/C=C2\Oc3cc(F)ccc3C2=O)cc1F 773170104 CRDKYIZWSCSEBF-CHHVJCJISA-N 288.249 3.590 30 20 CHED N#C[C@H](OC(=O)CCSC(F)(F)F)C1CCCCC1 776375507 HXVOWZCKJJSGNA-JTQLQIEISA-N 295.326 3.645 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C(=O)OCC1(C#N)CC1 775873956 XFLOHYUPAKXELM-UHFFFAOYSA-N 288.734 3.590 30 20 CHED CCCCCCCN[C@@H](C)c1cnc2cc(C)nn2c1C 776746852 IKXIFWIGVBJANR-AWEZNQCLSA-N 288.439 3.967 30 20 CHED C#CCOc1ccccc1NCc1cc(F)cc(F)c1 775360395 LBUJKTIWBSLQDQ-UHFFFAOYSA-N 273.282 3.589 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1ccc(Cl)c(F)c1 1116429631 XQSSYSVHHQXPNN-SECBINFHSA-N 286.803 3.580 30 20 CHED C#CCCCCC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 773290937 DEICQMDQSOUEQB-UHFFFAOYSA-N 296.414 3.736 30 20 CHED C=CCCOCCCCC(=O)Oc1ccccc1C 776073696 RFGFGDQWEWSHAU-UHFFFAOYSA-N 262.349 3.663 30 20 CHED COC[C@H](C)NN=C1CCC[C@H](C(C)(C)C)CC1 777893435 QPARYMVQYYEXSX-STQMWFEESA-N 254.418 3.593 30 20 CHED C#CCCCCCC(=O)N1CCCC[C@H]1[C@H](C)CC 779953078 CWEHVBJZEORKAT-CVEARBPZSA-N 263.425 3.997 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(CCCC)cc1 770060096 SJLDUWYQYLXBQS-CYBMUJFWSA-N 258.365 3.515 30 20 CHED C=C(Cl)CN[C@H](C)[C@H](OC)c1ccccc1Cl 778245928 IGSDDJDJPWQCIK-MFKMUULPSA-N 274.191 3.758 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1ccc(F)cc1Cl 776395445 KEEOUMLTDZRJOF-UHFFFAOYSA-N 283.730 3.505 30 20 CHED C=C[C@H](CC)CC(=O)Nc1n[nH]cc1-c1ccccc1 889868901 XYKLCCUWALGRPS-GFCCVEGCSA-N 269.348 3.618 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(c3cccc(F)c3)CC2)c1 1129809230 LREDGJIVCFNKRJ-UHFFFAOYSA-N 294.329 3.676 30 20 CHED Cc1ccc(N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C#N)n1 882193094 YRFUMEGDUZCSTI-QAPCUYQASA-N 293.370 3.594 30 20 CHED C=CCCCCCOC(=O)/C=C\c1scnc1C 784824559 HJRHHJDFBILQCQ-HJWRWDBZSA-N 265.378 3.754 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CCCCS2)C(C)C)c1 783459382 JRKONGBJANXRLU-INIZCTEOSA-N 287.428 3.695 30 20 CHED CC(=NN[C@H]1CCCOC1)c1cc2cc(C)c(C)cc2o1 780260126 IHFBASFGXTWWOR-HNNXBMFYSA-N 286.375 3.542 30 20 CHED C=C1CC(c2noc([C@H](c3cccnc3)C(C)C)n2)C1 896878181 VSAYCVPBKOILDC-AWEZNQCLSA-N 269.348 3.686 30 20 CHED CC1(C)C(=NNc2ccc(F)cn2)C[C@H]1Oc1ccccc1 789017961 MONGMLVUELIPFT-OAHLLOKOSA-N 299.349 3.866 30 20 CHED CCCCCC(C)(C)C(=O)N1CCC(CC#N)CC1 782054864 GKUNUPDDMSLZLW-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CCCC(=NN=c1cc[nH]cc1Cl)c1ccsc1 785457324 IFTHVXGWUKQAPS-UHFFFAOYSA-N 279.796 3.835 30 20 CHED CCCCCCCNc1cc(Cl)cc(C(N)=O)c1OC 789694602 ATYUTOOZWZEMHB-UHFFFAOYSA-N 298.814 3.830 30 20 CHED Cc1cc(CSc2ccc(Cl)nn2)ccc1C#N 783112927 PEYZYENUFFYLSA-UHFFFAOYSA-N 275.764 3.602 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2cncnc2)cc1 794979009 UUBFAUOWSHLDKU-HNNXBMFYSA-N 266.348 3.521 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H](O)c1ccc(F)cc1 793525452 OKWYNFVZXKMXNH-WMLDXEAASA-N 279.399 3.974 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)Cc2c(F)cccc21 899350604 JHYDHWCTIISCIA-GHXNOFRVSA-N 282.318 3.570 30 20 CHED CCCCCCCCC(=O)N1C[C@H](O)Cc2ccccc21 790156323 NQSRLMNJQGWGQH-MRXNPFEDSA-N 289.419 3.687 30 20 CHED Cc1c(COC(=O)c2ccc(C#N)o2)oc2ccccc12 796899180 WAAIIINWIVAJKE-UHFFFAOYSA-N 281.267 3.563 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc(C)c(-c2ccccc2)s1 795359790 FRFNEBKSVOBPCS-MRXNPFEDSA-N 299.399 3.997 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)[C@@H]2CCC(C)(C)C2)cc1 793353347 SDKRBJBNECHSEL-GDBMZVCRSA-N 286.419 3.988 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H]1/C=C/c1ccccc1)C(C)C 798556029 ZSTTWFFWLPWHJH-IZGBJUCLSA-N 296.414 3.532 30 20 CHED CC(=NNc1cncnc1)c1cc(Cl)ccc1Cl 794978506 NPXONWFKTIFBJB-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=CCc1cc(C=NOC[C@H](C)CC)cc(OC)c1O 793164008 PQCCVLCZGOABAL-GFCCVEGCSA-N 277.364 3.526 30 20 CHED COc1ccc(C=NNc2cccc(Cl)n2)c(Cl)c1 793164296 UNANUZMRFGMXHZ-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1C(C)C)C(C)C 799182733 YINIWNDFBGMWKC-CQSZACIVSA-N 258.365 3.589 30 20 CHED O=C(/C=C/c1ccc(C(F)F)cc1)c1ccc(O)cc1O 794941691 VFYRNNSIUVCJQP-FPYGCLRLSA-N 290.265 3.932 30 20 CHED COc1cccc(NN=C2CCC[C@H]2c2ccccn2)c1 794888290 HWEVRTKPPOKRDY-HNNXBMFYSA-N 281.359 3.826 30 20 CHED Cc1cc(C=NN2CCC(C(C)(C)C)CC2)sn1 790180172 BFAWCJZJQCIRIZ-UHFFFAOYSA-N 265.426 3.544 30 20 CHED CCC1(NC(=O)Nc2ccc(C#N)c(F)c2)CCCCC1 1219030586 DPQLRPRPRRAZDM-UHFFFAOYSA-N 289.354 3.932 30 20 CHED CCCN(CC(C)C)C(=O)[C@@H](C#N)CCc1ccccc1 1141250610 LBUZXRCFCWYULI-QGZVFWFLSA-N 286.419 3.654 30 20 CHED Cc1ccc(CNC(=O)Nc2sccc2C#N)c(C)c1 1219354919 WEDSUHZBPKMQNR-UHFFFAOYSA-N 285.372 3.558 30 20 CHED Cc1cc(NCc2coc(-c3ccccc3)n2)ncc1C#N 1162550288 IVSPXOYBNXWQOT-UHFFFAOYSA-N 290.326 3.529 30 20 CHED Cc1ncc([C@@H](C)Nc2ccc(OCC#N)cc2)s1 1323505876 PCWRCILBLKIUCQ-SNVBAGLBSA-N 273.361 3.527 30 20 CHED Cc1cc(C(=O)Nc2ccc(OCC#N)cc2)cc(C)c1F 1319848557 ZYOLFUGXHLBJMC-UHFFFAOYSA-N 298.317 3.597 30 20 CHED C#C[C@H](NCc1ccc(CSC(F)F)o1)C(C)(C)C 702293015 GSTDSJOLXIXOCY-LBPRGKRZSA-N 287.375 3.873 30 20 CHED Cn1cc(-c2ccc(-c3nc4cc(C#N)ccc4[nH]3)cc2)cn1 1326873365 KZQVTSOYJXPCFV-UHFFFAOYSA-N 299.337 3.502 30 20 CHED C=CCOCCCC(=O)NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1323315983 XPTZCCATDLIXGC-IXDOHACOSA-N 295.467 3.794 30 20 CHED C[C@@H]1C[C@@H](Nc2cccc(Br)c2C#N)CS1 397843943 HLOBOKDVABYBRG-RKDXNWHRSA-N 297.221 3.627 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC)c1ccc(F)cc1 1320077496 LIQRWKNRBXITPN-HNNXBMFYSA-N 278.371 3.884 30 20 CHED CC(C)[C@H]1CC(=NNc2ccc(C(C)(C)C)nn2)CS1 1324924811 FEEDCAQNSVRCJT-GFCCVEGCSA-N 292.452 3.704 30 20 CHED CCC(C)(C)[C@H](C)NCc1ccc(OCC#N)cc1 710117434 QKPZYYNBFOGIMB-ZDUSSCGKSA-N 260.381 3.503 30 20 CHED CS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C1 687961783 OKGQZZOXFNDBJX-KGLIPLIRSA-N 294.851 3.928 30 20 CHED C=CCCSCCN[C@H]1CCc2c(OC)cccc21 595059413 NZGIQKQYIQSOQU-HNNXBMFYSA-N 277.433 3.581 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2cc(C)ccc2o1 1339196805 OQXVDJPPXZOABB-ZDUSSCGKSA-N 270.332 3.506 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 723606991 FOJOSJKAWGZYNT-HRCADAONSA-N 261.409 3.655 30 20 CHED N#Cc1cccc(NC2CCC(C3CCC3)CC2)n1 695810010 FJAIYSDNFKWCJT-UHFFFAOYSA-N 255.365 3.724 30 20 CHED C[C@H]1CCC[C@H]1Nc1cccc(OCCCC#N)c1 86675034 QYKLDFJISHZLKE-XJKSGUPXSA-N 258.365 3.970 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cccc(C2CCC2)c1 1337580961 ONNZWGLPGKTDTJ-INIZCTEOSA-N 270.376 3.718 30 20 CHED Cc1cccnc1CSCc1cccc(C#N)c1F 1341851235 YWZPFANPOAHYHH-UHFFFAOYSA-N 272.348 3.834 30 20 CHED C=C(C)CONC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1261510567 CPFTVRPNQFDJEC-CQSZACIVSA-N 294.370 3.720 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cccc(CC#N)n1 1342844892 ZBMJNPRVOVIEFH-HIFRSBDPSA-N 295.361 3.669 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCCCCCC1 1525907998 PWMCYFUGAVEUFL-UHFFFAOYSA-N 270.376 3.663 30 20 CHED CCSc1ccccc1C(=O)[C@H](C#N)c1nccn1CC 1526595187 VINXZNZRVVLUMS-ZDUSSCGKSA-N 299.399 3.505 30 20 CHED C=CC[C@H]1N(c2nnc(C(F)F)n2CC)CCCC1(C)C 1520827893 LDLMCFCXXOFWBF-LLVKDONJSA-N 298.381 3.807 30 20 CHED N#Cc1ccc2c(c1)CCCN2CCc1cccs1 1460172794 RHDUHLAJVYUKGC-UHFFFAOYSA-N 268.385 3.615 30 20 CHED O=C(/C=C\c1ccc(C(=O)O)o1)c1csc(Cl)c1 1608285033 UZDDBESCBBAKCW-IWQZZHSRSA-N 282.704 3.589 30 20 CHED CC[C@@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)O 1605105551 BRZGRVJNJBKLQL-DLBZAZTESA-N 294.354 3.617 30 20 CHED CSc1cc(Cl)ccc1NC(=O)c1ccc(C#N)o1 1531797758 WHNKRAZKZCOZIT-UHFFFAOYSA-N 292.747 3.779 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)Nc1cc(C#N)c(F)cc1F 1544828854 KPHIJHMBUITBGD-VFZGTOFNSA-N 278.302 3.601 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)c1ccc(Cl)c(C#N)n1 1559125984 RDLMWXBHHORGPO-JTQLQIEISA-N 287.750 3.510 30 20 CHED C=C(Cl)CNC(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 1564680034 LZCBZXOLJQHIBR-AAEUAGOBSA-N 286.847 3.891 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)C1 1631122930 OZSFEOYWLQLAMV-NJAFHUGGSA-N 298.430 3.701 30 20 CHED Cc1nc(N2CCc3c(F)cccc32)c(Cl)cc1C#N 1639755386 XPILAYHVOMWGLG-UHFFFAOYSA-N 287.725 3.748 30 20 CHED CC(C)c1ccc2c(c1)[C@H](N=c1cc[nH]c(C#N)c1)CCC2 1655344100 MIBBKUGHSYHEME-LJQANCHMSA-N 291.398 3.988 30 20 CHED CC[C@@H](Nc1cccc(F)c1C#N)[C@H](O)c1ccccc1 1652204622 RHHNQWMYYOYUAZ-NVXWUHKLSA-N 284.334 3.621 30 20 CHED COC(=O)c1cc(N[C@@H](C)CC(C)(C)C#N)c(C)cc1C 1659480580 GYDXCZMRHBTDFE-ZDUSSCGKSA-N 288.391 3.830 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CCCC(C)(C)C1 1596572746 ZYMQXDHULNMRKL-GFCCVEGCSA-N 251.370 3.828 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2cc(C#N)ccn2)CC1 1641781719 NJGQVQIBOSUHQY-HNNXBMFYSA-N 271.408 3.601 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(/C=C\C(=O)O)o2)cs1 1777417980 KUAFOFMUPBPLFH-PEPZGXQESA-N 288.324 3.643 30 20 CHED C[C@]1(C=NNc2ccccc2C(=O)O)C[C@@H]1c1ccccc1 1776030657 CDIZLNPCWJATPY-CRAIPNDOSA-N 294.354 3.976 30 20 CHED C=C(C)CCCN1[C@H](c2ccccc2)CC[C@@H]1C(=O)O 1776138655 UPYBTLYRNGRGMK-JKSUJKDBSA-N 273.376 3.633 30 20 CHED Cc1cc(C)cc(CC=NNc2cccc(C(=O)O)c2C)c1 1776088715 DSTXXSRNPJIVCT-UHFFFAOYSA-N 296.370 3.950 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)Cc1ccco1 162150778 ZMNDJKKRPSFUIZ-UHFFFAOYSA-N 284.359 3.594 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc2occc2[nH]1 152237723 JGFRENJGECJYGE-UHFFFAOYSA-N 287.363 3.553 30 20 CHED C=CCC[C@@H](NC(=O)N1CCCCC1)c1ccccc1 153297925 LEYXCRNTTGJGAD-MRXNPFEDSA-N 272.392 3.889 30 20 CHED N#Cc1ccnc(SCc2nc3ccc(F)cc3o2)c1 155512621 BVNGNYOFUUDDLD-UHFFFAOYSA-N 285.303 3.526 30 20 CHED COc1cc(C#N)ccc1CSc1ccccc1OC 155110031 WVUBFILACJZEHK-UHFFFAOYSA-N 285.368 3.868 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@H]2CCCC[C@@H]2C1 111036078 WQONMORLPMCKCU-CHWSQXEVSA-N 258.340 3.714 30 20 CHED CCCCCCCC(=O)Nc1ccc(C#N)c(C#N)c1 224334101 NGPQTQWJXBWWKD-UHFFFAOYSA-N 269.348 3.729 30 20 CHED C[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)CC1 227309061 RSPJSOJSYXFCBX-SWLSCSKDSA-N 260.356 3.756 30 20 CHED N#Cc1cc(CNc2ccc(Cl)c(C#N)c2)ccc1F 123757552 ABFKNJBOOMMSTC-UHFFFAOYSA-N 285.709 3.835 30 20 CHED CC[C@H]1CC[C@@H](C)N1CCCOc1cccc(C#N)c1 124640321 XDAJGDYGDNASGI-ZBFHGGJFSA-N 272.392 3.590 30 20 CHED CC(=O)c1ccc(OCc2ccccc2C#N)c(Cl)c1 128510552 RMEHMMAHSRDNSU-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CC1(C)CCC[C@H](NCc2cc(C#N)ccc2F)C1 158913157 PBGJCPMFSMCJDM-AWEZNQCLSA-N 260.356 3.756 30 20 CHED N#CC1(NC(=O)c2cc(Cl)ccc2Cl)CCCCC1 40216402 WFDHFZULSQGWAO-UHFFFAOYSA-N 297.185 3.950 30 20 CHED C[C@@H]1Cc2ccccc2N1c1ncc(C#N)cc1Cl 513651350 YWVWHECXCLBSEY-SNVBAGLBSA-N 269.735 3.689 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CC23CCCC3)ccc1Cl 610471669 WGMBISMDWQWXLD-LBPRGKRZSA-N 274.751 3.730 30 20 CHED C=CCOc1ccc(CNC2CCC(F)(F)CC2)cc1 534904556 BRBRZMFJPNEDQQ-UHFFFAOYSA-N 281.346 3.919 30 20 CHED N#Cc1c(C(=O)O)oc2c(C(F)(F)F)cc(C3CC3)cc12 2048541305 OOSRLMCTUYUNLB-UHFFFAOYSA-N 295.216 3.899 30 20 CHED CCC1CC(Nc2cccc(OCCCC#N)c2)C1 560245087 HBQCQWXLAYEBJJ-UHFFFAOYSA-N 258.365 3.970 30 20 CHED C[C@H]1CCc2c(C(=O)NCC(C)(C)CC#N)csc2C1 457985210 FNLOJTYFXZDYFH-NSHDSACASA-N 290.432 3.543 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCCC23CCCC3)c1 563865026 RUCWJDZUPVRJBA-QGZVFWFLSA-N 268.404 3.803 30 20 CHED C=CCC1(NCc2cc(C#N)ccc2F)CCCC1 595780240 MRQNSQLNLNMBTJ-UHFFFAOYSA-N 258.340 3.676 30 20 CHED C=C[C@H](COC)N[C@H](CC)c1ccc(Cl)s1 381641784 ANTNQFMSCZYYIF-NXEZZACHSA-N 259.802 3.643 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)o1 695704904 QKIITQLWULKWRP-UHFFFAOYSA-N 281.098 3.710 30 20 CHED Brc1cccc(C=NOCc2ccccc2)c1 916620873 KKHLRJKXPZKFCS-UHFFFAOYSA-N 290.160 4.000 30 20 CHED CN(C/C=C/c1ccccc1)Cc1ccc(C#N)cc1 58563130 RKMJDMRQOCOUFU-VMPITWQZSA-N 262.356 3.703 30 20 CHED C=CC1CCN(C(=O)N[C@H](CC)c2cccs2)CC1 111835712 KKBMYAAAZXLJML-CYBMUJFWSA-N 278.421 3.807 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 107850709 PGOLPTCUBYGTPN-LSDHHAIUSA-N 290.794 3.580 30 20 CHED C=CCCCCCN(C)Cc1cn2ccsc2n1 172654081 ADAWXKRAGZPABC-UHFFFAOYSA-N 263.410 3.574 30 20 CHED CCCCOc1ccccc1NC(=O)NCCCCC#N 171378466 XWBZFCXRVWWKPM-UHFFFAOYSA-N 289.379 3.681 30 20 CHED CCCCCNC(=O)CS[C@@H](C)c1ccc(C#N)cc1 118446607 ITKAULCEHRKNSV-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 109557699 DBDAWHNIBHAPOQ-LLVKDONJSA-N 276.311 3.838 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1Cc2ccccc2S1 63961649 UVOOWJDAAJNAQQ-MRXNPFEDSA-N 294.379 3.522 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 176861851 WYRAYSDYVUDOQQ-DVOMOZLQSA-N 290.382 3.883 30 20 CHED CC[C@H](C)[C@@H](C)N(CCCSCC#N)C1CC1 173883114 GCYBSOFFZZPMHB-QWHCGFSZSA-N 254.443 3.532 30 20 CHED C=CCN(CC=C)C(=O)c1csc(-c2ccccc2C)n1 66285113 ABYQVHNPKOWMEV-UHFFFAOYSA-N 298.411 3.933 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)/C(C)=C/C 175817928 ZLVUBJHDTJAPNH-BJMVGYQFSA-N 269.797 3.882 30 20 CHED Cc1nc(NCC2CCCCC2)c(Cl)cc1C#N 311079994 FRNGOKSFUDLNLW-UHFFFAOYSA-N 263.772 3.907 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1 63022573 CRISIHBINPGITH-UHFFFAOYSA-N 269.731 3.882 30 20 CHED N#CCCCOC(=O)c1ccc(Cl)c(C(F)(F)F)c1 178732025 TXKAAMGYBRHXJF-UHFFFAOYSA-N 291.656 3.819 30 20 CHED C#CCCCCC(=O)Nc1ccccc1C(F)(F)F 119993213 QFHLPBCYJPTJEK-UHFFFAOYSA-N 269.266 3.838 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1 115202499 GUDBAPYLEDPPFX-HNNXBMFYSA-N 276.339 3.617 30 20 CHED C=CCN(C)C(=O)N[C@H](CC(C)C)c1ccccc1C 119097502 WHLOYNYONPKVSC-MRXNPFEDSA-N 274.408 3.910 30 20 CHED C=CC1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 173661169 LSSKTLHQFBXCRS-UHFFFAOYSA-N 298.361 3.859 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccc(Oc2ccccc2)cc1 64333088 AZNWTFMRKZSOKM-ZDUSSCGKSA-N 280.327 3.511 30 20 CHED CC[C@@]1(C)CN(c2ccc(C(F)(F)F)cc2C#N)CCO1 302701979 XPIQOTPWJHRGOU-AWEZNQCLSA-N 298.308 3.582 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCc3cc(F)ccc32)c1 122336161 VJKVVFXQOWZOOV-GOSISDBHSA-N 280.346 3.865 30 20 CHED C#CCCCNC(=O)Nc1cccc(-c2cccs2)c1 175881618 FEEBRSJYTVCSTR-UHFFFAOYSA-N 284.384 3.950 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)s2)n1 127014844 FJIBPACEEGYFID-MRXNPFEDSA-N 283.400 3.660 30 20 CHED C[C@@H]1CCCCN1C[C@H]1CCCN(CCC(C)(C)C#N)C1 409446734 POTQSKYZACELRR-SJORKVTESA-N 291.483 3.513 30 20 CHED COc1cc(/C=C/C(=O)c2c[nH]c3ccccc23)ccc1O 38228347 WTJOGULDZWYJOW-SOFGYWHQSA-N 293.322 3.778 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OCC)c2cccnc12 186150452 WUGUUXMPNBAXPI-UHFFFAOYSA-N 296.370 3.622 30 20 CHED C=CCCOc1ccc(NC(=O)CCC)cc1C(C)=O 77238633 VIUUYBZQXJIANU-UHFFFAOYSA-N 275.348 3.583 30 20 CHED CC(C)CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 128668994 BRGGZMQVPBLZPQ-HNNXBMFYSA-N 294.354 3.533 30 20 CHED Cc1ccc([C@@]2(C)CCN([C@H](C)CCC#N)C2)cc1 411675039 OMDVELILXJRHLQ-WBVHZDCISA-N 256.393 3.651 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(C)cccc1SC 184967434 URXIEFKYTXMSCK-NSHDSACASA-N 264.394 3.803 30 20 CHED COc1cc(C#N)cc(OCCCCC(F)(F)F)c1 486095347 BSLDFZHJNSQSLV-UHFFFAOYSA-N 273.254 3.678 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 120108375 STLAJGMRZQFTLZ-QWRGUYRKSA-N 284.302 3.550 30 20 CHED CO[C@@H]1Cc2ccccc2N(CCCCC(C)(C)C#N)C1 502493060 GOPCNUXECSYALK-MRXNPFEDSA-N 286.419 3.784 30 20 CHED C=CC(C)(C)C(=O)N(C)c1ccc(-c2nccs2)cc1 415828153 DZAGIXRRYWBFRI-UHFFFAOYSA-N 286.400 3.985 30 20 CHED C=CCCCCCCNCc1cccc(C(=O)O)c1 261590565 LJCVAUOOGWVHTG-UHFFFAOYSA-N 261.365 3.611 30 20 CHED COc1ccsc1CN[C@@H]1CCCc2cc(C#N)ccc21 418151382 XCCNBMQEGSZDIE-OAHLLOKOSA-N 298.411 3.796 30 20 CHED Cc1ccc2c(CC(=O)OCC(C)(C)CC#N)c[nH]c2c1 184790694 CQTOPLQDSLAVFM-UHFFFAOYSA-N 284.359 3.502 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 184767366 YGFGHAYWRGWERY-QPJJXVBHSA-N 289.312 3.561 30 20 CHED CCSCC[C@H](C)Nc1nc(C)c(C#N)cc1Cl 336789913 KDMBFWWVQVXMSU-VIFPVBQESA-N 283.828 3.859 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C1CC(OC(C)C)C1 411189344 GBFZBLBNCGDVHY-UHFFFAOYSA-N 284.403 3.502 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cn1ccc2ccccc21 182595237 MSCBVPSGBLAGEP-CQSZACIVSA-N 270.376 3.502 30 20 CHED C=CCSCCN[C@@H]1CCCOc2cc(C)ccc21 180457850 COZLBGGXQNADEZ-OAHLLOKOSA-N 277.433 3.718 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1nccs1 414302528 MOIQIAJIHISEHU-UKRRQHHQSA-N 272.417 3.981 30 20 CHED COc1ccc(Cl)cc1NC(=O)c1cc(C#N)cs1 84057961 BWIXNDAOQGIDAK-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCC[C@H](C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505954338 NMVUPTNQOHTBNX-GWCFXTLKSA-N 298.308 3.822 30 20 CHED N#CC1(C(=O)N2CCC(Cc3ccccc3)CC2)CCCC1 49901342 PVNMZNYRLNQMMI-UHFFFAOYSA-N 296.414 3.552 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N[C@H](C#N)c2ccccc2F)C1 505928660 RNRZILBQOOYIFF-XJKCOSOUSA-N 288.366 3.723 30 20 CHED CC(C)(C)c1noc(CSCc2ccc(C#N)cc2)n1 48680755 AHZKANMPBUZVDG-UHFFFAOYSA-N 287.388 3.672 30 20 CHED Cc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)c(Cl)c1 191150865 MIIGQGFOBWRNJZ-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1Cl 424330906 RLCHDQKKVQXWQL-JFGNBEQYSA-N 266.747 3.822 30 20 CHED CCCCCNC(=O)CS[C@H](C)c1cccc(C#N)c1 190913985 TWBMJORHLPWWNB-CYBMUJFWSA-N 290.432 3.659 30 20 CHED C=CCN(C)Cc1ccc(Br)cc1SC 428375730 SXIPKYHSJIMYEJ-UHFFFAOYSA-N 286.238 3.789 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Nc1nccs1 48861293 NTWHCMDGXCPJBO-UHFFFAOYSA-N 291.351 3.502 30 20 CHED C=C1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 264502959 WASQBXLRGZCYIU-UHFFFAOYSA-N 299.201 3.584 30 20 CHED C[C@@H]1CC[C@@H](C)N1CC(O)=Nc1cccc(-c2cc[nH]n2)c1 329876829 IKNVUIIHWLBOSB-CHWSQXEVSA-N 298.390 3.538 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NCc1ccc(C#N)cc1 131003939 DXDUVCMIBIYVMW-UHFFFAOYSA-N 281.315 3.695 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(OCCC)c1 192986135 VVHMIXRYUFFAAH-UHFFFAOYSA-N 274.364 3.681 30 20 CHED N#CC1(C(=O)NCCCCC2CCCC2)CCCC1 81360336 PMMYXTQPZSMUEJ-UHFFFAOYSA-N 262.397 3.547 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCCC[C@H]1C 425382543 IDSMHIDKIJRBEF-JKIFEVAISA-N 299.418 3.839 30 20 CHED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccs1 514717629 KSAYWLVYIPFOLK-UHFFFAOYSA-N 288.372 3.845 30 20 CHED CO[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 425533736 LALSBPANBRTTHT-HNAYVOBHSA-N 294.398 3.939 30 20 CHED C=CCC1(C(=O)NCCc2ccc(C)o2)CCCCC1 516391088 BCOQUUQCJQGFHU-UHFFFAOYSA-N 275.392 3.773 30 20 CHED Cc1c(NCc2cccc(C#N)c2)cnn1C1CCCC1 195456287 ZIGVAXLWZWWCMC-UHFFFAOYSA-N 280.375 3.790 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)c2ccncc2F)c1C#N 337868241 PIPLGLFBTVXMPM-VIFPVBQESA-N 290.729 3.622 30 20 CHED CCSCc1cc(C#N)ccc1Br 191607030 XQQVLARANDPIOT-UHFFFAOYSA-N 256.168 3.574 30 20 CHED C=C1CCN(C(=O)CCc2cc3ccccc3o2)CC1 334538677 YWTWVQSGBCMXHP-UHFFFAOYSA-N 269.344 3.544 30 20 CHED Cc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc(C)c1F 424335549 WXDFETLZWFUDLD-KCQAQPDRSA-N 260.356 3.785 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)C[C@H](C)CC 426073625 BJXLKAPPXYTUFO-MGPQQGTHSA-N 252.402 3.561 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 516853986 ASRGCMXWKHSZLD-GXTWGEPZSA-N 298.777 3.750 30 20 CHED N#Cc1cccc(CNCc2cc(Cl)cs2)c1 93094621 DOGATZCRPJKOGF-UHFFFAOYSA-N 262.765 3.563 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccsc2Cl)no1 335184473 BQKGIKJYVVVOQF-PSASIEDQSA-N 296.779 3.900 30 20 CHED Cc1ccc(-c2csc(NC(=O)[C@@H](C)C#N)n2)c(C)c1 336562216 MJHZUVPXDHEGMQ-NSHDSACASA-N 285.372 3.525 30 20 CHED C=CCC[C@@H](C)N[C@H](COC)c1cccc(Cl)c1 515702470 LIMYYCPCRSCZHG-IUODEOHRSA-N 267.800 3.972 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 98053800 TZGNEVUKOAPSFS-GHXNOFRVSA-N 277.323 3.853 30 20 CHED N#CCc1ccc(C(=O)N2Cc3cccc(Cl)c3C2)cc1 335955831 ZYMBFYHIIGFMBK-UHFFFAOYSA-N 296.757 3.562 30 20 CHED CC(C)COCCSCc1cc(C#N)ccc1F 336972490 QQCPTDVWSMRFGP-UHFFFAOYSA-N 267.369 3.603 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](CC)c1ccc(C)cc1)OCC 339206618 SMTLFMDSEREMOA-IAGOWNOFSA-N 289.419 3.934 30 20 CHED C[C@H](CCC(C)(C)C)N/C(O)=N/C[C@@H]1CCO[C@H](C)C1 330631183 FGHUJQGHPBGZSS-MGPQQGTHSA-N 284.444 3.520 30 20 CHED CCN(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 247257809 ZQBMUPRQHCHQMF-HRCADAONSA-N 282.387 3.737 30 20 CHED Cc1ccc2oc(SCCCC(C)(C)C#N)nc2n1 342441542 JUOAHHOPBIXLMM-UHFFFAOYSA-N 275.377 3.953 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 245540204 MBTLAGZTATYUIK-HUUCEWRRSA-N 272.392 3.599 30 20 CHED C=CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 247981897 HOZJXJVQUSQKBG-UHFFFAOYSA-N 296.326 3.736 30 20 CHED CC#CCCN1CCCCC[C@H]1C[C@@H](O)c1cccs1 248387232 AOTWXQSTNVMHDF-JKSUJKDBSA-N 291.460 3.830 30 20 CHED C=CCC(C)(C)c1noc(CSCc2cccnc2)n1 340824213 QJKPPSOLLRFWDZ-UHFFFAOYSA-N 289.404 3.752 30 20 CHED N#C[C@@H](C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1nc2ccccc2[nH]1 249529468 XBGUJFXDTZYFEB-XUXIUFHCSA-N 293.370 3.565 30 20 CHED C=CCn1cccc1C(=O)N(C)C1CCC(C(C)C)CC1 432551803 AROZVRGFKYKCJQ-UHFFFAOYSA-N 288.435 3.961 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 343054434 OVGYIOCNURYCQZ-ZBFHGGJFSA-N 281.334 3.841 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H](C)c2ccccc2F)C1 246819234 BWSYVECPRIJROR-PBFPGSCMSA-N 288.366 3.518 30 20 CHED CC1(C)CCCN(C(=O)[C@H]2CCCc3ccccc32)[C@@H]1C#N 434028865 YPDFSIQSRQAASF-DLBZAZTESA-N 296.414 3.647 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)CCC2 430751260 UKYITMNBWQTNOX-CYBMUJFWSA-N 254.377 3.520 30 20 CHED C[C@@H]1CCCN(c2ccccc2OC[C@@H](C#N)CCC#N)C1 245688915 JERINTPSKUHGPI-HZPDHXFCSA-N 297.402 3.745 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC)c1ccc(C)cc1 342349858 BOIQOCVUSMYIGQ-OAHLLOKOSA-N 260.381 3.664 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C#N)c1 609042841 BNSALEPGFSYNNJ-INIZCTEOSA-N 293.370 3.701 30 20 CHED C=CC1CCN(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 521379073 AZDKIWNDDLZNGW-SWLSCSKDSA-N 288.391 3.511 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SCc1ccon1 523808686 SWYUUHMUKMEQMT-UHFFFAOYSA-N 293.351 3.901 30 20 CHED CC(C)(C)OC(=O)CCCNc1ccc(C#N)c(Cl)c1 342053462 XQSMIQLZIQVQKZ-UHFFFAOYSA-N 294.782 3.745 30 20 CHED CC(C)(C)OC1CC(N[C@H]2CCCc3cc(C#N)ccc32)C1 346870375 URKQUBDSPLEMLG-HTWSVDAQSA-N 298.430 3.871 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 431855531 BHXUXJPVUUZKMK-NIFZNCRKSA-N 261.409 3.530 30 20 CHED COc1ccc(/C=C2\CCc3cc(F)ccc3C2=O)cc1O 255358988 WRXBPXJRLXQAIB-MDWZMJQESA-N 298.313 3.752 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(OCCF)c1 433290012 QLFVCZGCZZWHMK-UHFFFAOYSA-N 294.370 3.759 30 20 CHED COCc1nc(CSCc2cccc(C#N)c2)cs1 437414764 CHVRLRPSZGLJOZ-UHFFFAOYSA-N 290.413 3.595 30 20 CHED C=C[C@H](C)NC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 438927860 PSRBCGSYWXLCHR-ZDUSSCGKSA-N 273.420 3.952 30 20 CHED N#Cc1c(CN2CC[C@H]2c2ccccc2)cn2ccccc12 348539723 ATAKGXRYDUIUDN-SFHVURJKSA-N 287.366 3.758 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(Oc2ccccn2)c1 341961556 MEJAHEHPKWRVMA-UHFFFAOYSA-N 297.358 3.914 30 20 CHED CCC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 340908046 GZVMISOVTCFSAN-CYBMUJFWSA-N 298.367 3.534 30 20 CHED CCOc1cccc(C=Nc2ccc(F)cc2F)c1O 255328880 PWCAUNURVKGWQE-UHFFFAOYSA-N 277.270 3.820 30 20 CHED Cc1ccc(CNCCSCc2ccccc2C#N)cc1 608841906 XGXPQSOLGOKZLU-UHFFFAOYSA-N 296.439 3.890 30 20 CHED N#Cc1ccc(N2CCC(Oc3ccccc3)CC2)cc1 348341920 TVUXYUVNOCRSOD-UHFFFAOYSA-N 278.355 3.606 30 20 CHED CC(=O)Nc1ccc(NCc2ccccc2C#N)c(Cl)c1 340615187 GMANCBPPKFPTIZ-UHFFFAOYSA-N 299.761 3.782 30 20 CHED N#CCN(C(=O)Cc1cc2ccccc2s1)C1CCCC1 449951884 ITUCXCIGXUVMQV-UHFFFAOYSA-N 298.411 3.739 30 20 CHED COCc1cc(C#N)ccc1N[C@@H]1CCc2ccccc21 603411576 XNFLUIMUONUMMV-GOSISDBHSA-N 278.355 3.804 30 20 CHED COc1cc(/C=C\c2ccc(C#N)cn2)ccc1SC 255396498 BZERUEPCLVZUTA-UTCJRWHESA-N 282.368 3.854 30 20 CHED O=C1/C(=C\c2cncs2)CCC/C1=C/c1cncs1 255322113 NOEKHIMRUZITCH-GGXLTUIBSA-N 288.397 3.820 30 20 CHED N#CCCCN1CCC[C@H]1c1nc2ccccc2s1 268723106 CSKJFSFQSJPUDE-ZDUSSCGKSA-N 271.389 3.737 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCCCc2ccc(F)cc2)C1 442859393 XAAIAHHKIIQJML-NVXWUHKLSA-N 274.383 3.820 30 20 CHED N#Cc1ccccc1/C=C1\CCOc2ccc(F)cc2C1=O 255770728 KFCDTLRPLXYMSN-UKTHLTGXSA-N 293.297 3.746 30 20 CHED CCOc1ccccc1CCNCc1ccc(C#N)c(C)c1 443976376 DWOSBBYMHKGCLH-UHFFFAOYSA-N 294.398 3.598 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(C)nc1C 446434175 HUOPXQHOPVCAIX-UHFFFAOYSA-N 282.343 3.516 30 20 CHED Cc1cc(-c2noc(/C=C/c3ccccc3C#N)n2)c(C)o1 445860919 HGQIMPUEZLQIQJ-BQYQJAHWSA-N 291.310 3.989 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(CCC#N)C(C)C)cc1 609990473 MYKGYJWXOFVQEO-OAHLLOKOSA-N 286.419 3.893 30 20 CHED CCc1cc(C#N)ccc1OCc1cc(C#N)ccc1OC 442095989 HGXISEHRMRFZMX-UHFFFAOYSA-N 292.338 3.580 30 20 CHED C=C1CCN(C(=O)c2cc(Cl)cc3cccnc23)CC1 264166022 KWUVHZKUJKCAOS-UHFFFAOYSA-N 286.762 3.680 30 20 CHED CSc1ccccc1CN(C#N)c1ccc(F)c(C#N)c1 358286401 NVBIEPPOXHPFNM-UHFFFAOYSA-N 297.358 3.907 30 20 CHED C[C@H](C#N)C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 534463266 DUSJMASIBKUKJS-CYBMUJFWSA-N 286.419 3.538 30 20 CHED C=CCOCCCC(=O)NCC1(CC(C)C)CCCC1 446295073 JBPJZVBWDVOBJN-UHFFFAOYSA-N 281.440 3.692 30 20 CHED N#CC1(NC(=O)c2cc3cccc(F)c3o2)CCCCC1 610239401 XZZQEEKLOGGSPC-UHFFFAOYSA-N 286.306 3.528 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCNC1CCC(C)(C#N)CC1 449084858 ZHKNUIGVWIFCME-GYXIZQIFSA-N 278.440 3.644 30 20 CHED C=CCC(C)(C)CNC(=O)c1nc2ccccc2s1 352541026 SOJQAOULNRGITA-UHFFFAOYSA-N 274.389 3.628 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 268018171 RFBXIAGAMBYRKG-KGLIPLIRSA-N 293.432 3.519 30 20 CHED C=CCn1c(SC[C@@H](C)CC)nc2sccc2c1=O 532032937 KBMHGHDRTOIPCP-JTQLQIEISA-N 294.445 3.782 30 20 CHED Clc1cccc(C#CCN2CCC[C@@H]2c2ccccn2)c1 533484545 RAQUAUHCKQSLFD-GOSISDBHSA-N 296.801 3.924 30 20 CHED C[C@H]1[C@H](C)CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 356201892 IXXFLILKVXJDBF-HLLBOEOZSA-N 284.403 3.721 30 20 CHED C=CCOCCCSCc1sc(C)nc1C 359129420 KTABYIOMWAJSBP-UHFFFAOYSA-N 257.424 3.586 30 20 CHED N#Cc1ccc(N2CCC[C@H](F)C2)c(C(F)(F)F)c1 357682055 BORGLLLTJMXVJR-JTQLQIEISA-N 272.245 3.515 30 20 CHED N#CCc1ccnc(NC(=O)c2ccc3sccc3c2)c1 531671194 SWTGBYMXMJMHPU-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C=C(CC)CSc1nc2ccccc2c(=O)n1C1CC1 539111657 IQZNBOUXADQINT-UHFFFAOYSA-N 286.400 3.790 30 20 CHED CCC(CC)N(CC#Cc1ccc(F)cc1)C1CC1 533010595 DKBZDQTWLFCKFI-UHFFFAOYSA-N 259.368 3.830 30 20 CHED C=C(CC)CSc1nnc(CCc2ccccc2)o1 538010676 OOVFTDGBYUETRF-UHFFFAOYSA-N 274.389 3.913 30 20 CHED C=CCC1(C(=O)N2CCC3(CCC3)C2)CCCCC1 450104585 YWYQDBSZJAWPID-UHFFFAOYSA-N 261.409 3.916 30 20 CHED CC(C)(C#N)c1ccc(CN2CC[C@@H]3CCC[C@H]32)cc1 614600419 IRNLJINEDLLKPU-DOTOQJQBSA-N 268.404 3.862 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(CC#N)cc1 534700557 JKIXFLSUXYNNPJ-ZDUSSCGKSA-N 272.392 3.697 30 20 CHED CCCn1ncc(NCCCC(C)(C)C#N)c1C1CC1 453149764 MNJFEIHUVVFTAT-UHFFFAOYSA-N 274.412 3.912 30 20 CHED Cc1ccnc(CSc2nc3c(c(C)c2C#N)CCC3)c1 616208551 DPWQBSKDVQOVCG-UHFFFAOYSA-N 295.411 3.746 30 20 CHED C[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)[C@H](C)c1ccccc1 612134755 AWSZPGKOQJPCRQ-MPGHIAIKSA-N 299.418 3.514 30 20 CHED N#Cc1ccc(C(=O)N2CC3(CCC3)c3ccccc32)cc1 369003366 UGDWPYZNTCIETH-UHFFFAOYSA-N 288.350 3.640 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(CC#N)cc1 454336940 AJUWVUOXNCEPKJ-GUYCJALGSA-N 285.391 3.843 30 20 CHED C=CCC[C@H](CCC)N1CCC[C@H](CC(C)(C)C(N)=O)C1 453273558 FTEIIWVUJDJKQB-CVEARBPZSA-N 294.483 3.735 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](C)c1cc(C)ccc1OC 454179270 JDAIKLDGGZMQQF-CYBMUJFWSA-N 290.407 3.576 30 20 CHED C=CCCCC(=O)N1CCC(c2ncc(C)s2)CC1 277957132 IXAFTMHTAJCCMD-UHFFFAOYSA-N 278.421 3.514 30 20 CHED C=CCN(Cc1cc(Cl)c(OCC)c(OC)c1)C1CC1 542691671 ZBZIEJGRZBHKPA-UHFFFAOYSA-N 295.810 3.898 30 20 CHED C#CC[C@H](N[C@@H](C)c1cnc(C)nc1C)c1ccccc1 271468205 IDEKXIOLGABPPI-KSSFIOAISA-N 279.387 3.509 30 20 CHED Cc1sc(NC(=O)C(C)(C)C2CC2)c(C#N)c1C 360944952 AZFNPXZRGDLPGR-UHFFFAOYSA-N 262.378 3.611 30 20 CHED Cc1ccc2c(c1C)N(CCCSCC#N)CCC2 452071955 SNOYDVJSIPQQAG-UHFFFAOYSA-N 274.433 3.703 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1=CCC(C)(C)CC1 456033973 LPBHUFVJLYNABD-UHFFFAOYSA-N 283.375 3.675 30 20 CHED C=CCSCCNC(=O)[C@@H](C)CCCc1ccccc1 543746329 MXTLIJLEBMFGIN-HNNXBMFYSA-N 291.460 3.681 30 20 CHED C=CCCN(C)C(=O)c1sc2ccc(OC)cc2c1C 276445308 TYUNTCLUEOZRHZ-UHFFFAOYSA-N 289.400 3.866 30 20 CHED C=C[C@@H](CC(=O)Nc1noc(C)c1C)c1ccccc1 452169426 XLYHNXXXJWDBPL-ZDUSSCGKSA-N 270.332 3.590 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 541009894 VSQRWAZCEJYJKB-ARFHVFGLSA-N 281.440 3.689 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 362275839 GXCDZDFJDHROTA-MRXNPFEDSA-N 291.341 3.822 30 20 CHED C=CCC1(C(=O)N2C[C@H](CO)c3ccccc32)CCCCC1 452443501 KLENNXRXHFSNHJ-OAHLLOKOSA-N 299.414 3.636 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@H]1CSc2ccccc21 454913740 OGWLAEZFQOAVSK-QWHCGFSZSA-N 290.432 3.530 30 20 CHED C=CCC1(C(=O)N2CCC(C)(OCC)CC2)CCCC1 451925433 FWLLONZCHDHEJQ-UHFFFAOYSA-N 279.424 3.541 30 20 CHED Cc1ncsc1CNc1cc(C#N)ccc1OC(C)C 272705321 WWQYCGLYWUQAJF-UHFFFAOYSA-N 287.388 3.723 30 20 CHED C#CCC1(C(=O)N2CCc3ccc(F)cc3C2)CCCCC1 276648128 LVUQEZLUPGSDMV-UHFFFAOYSA-N 299.389 3.684 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 274347595 PXBZPKIOMIIYMQ-KBXCAEBGSA-N 286.419 3.618 30 20 CHED CCSc1ccc([C@H](C)Nc2nccc(C#N)n2)cc1 450318332 VWWBHLWPEDWYIF-NSHDSACASA-N 284.388 3.633 30 20 CHED C=CCN(C(=O)Nc1ccc2oc(CC)nc2c1)C1CC1 271438237 BOVCENQOWHDSRQ-UHFFFAOYSA-N 285.347 3.573 30 20 CHED C=CC[C@@H](CO)CN[C@@H](Cc1ccccc1)c1ccccc1 540397300 UTNDVHKVVJZZGY-QUCCMNQESA-N 295.426 3.745 30 20 CHED N#Cc1cc2c(nc1S[C@@H]1CC[C@H](C#N)C1)CCCC2 278511773 FHDLPTYOSNRRDG-SMDDNHRTSA-N 283.400 3.616 30 20 CHED C=CCCC(C)(C)NC(=O)CCCc1ccc(OC)cc1 620861318 LJZPRCVEPXIWBL-UHFFFAOYSA-N 289.419 3.879 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](CC)Oc1ccccc1F 467995023 OAFHLFORDAIXKW-SUMWQHHRSA-N 293.382 3.702 30 20 CHED Cc1cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)ns1 468964944 OLXFXLUFLFXCPY-UHFFFAOYSA-N 299.399 3.626 30 20 CHED CCC1CCC(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 461932297 MPVVZMQWGKUPBC-FHERZECASA-N 298.430 3.994 30 20 CHED CCn1c(SCC2(C#N)CC2)nnc1-c1ccc(C)cc1 554177589 PLERZYWCEVDSOL-UHFFFAOYSA-N 298.415 3.669 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(F)cc1OC(F)F 466533868 KQCTWMUVKNGUPV-JTQLQIEISA-N 287.281 3.512 30 20 CHED C[C@@H](CNc1ccc(F)cc1C#N)N(C)c1ccccc1 462790558 OENWJWXHZWWJOC-ZDUSSCGKSA-N 283.350 3.634 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)C(F)(F)F 463844098 NSZVSKLFUYENSG-NSHDSACASA-N 277.330 3.780 30 20 CHED Cc1ccccc1CN(C)C(=O)[C@H](C)c1cccc(C#N)c1 461737473 OHGONZHJUZHGGD-OAHLLOKOSA-N 292.382 3.629 30 20 CHED C=C[C@H](CC(=O)N1CC2CCC1CC2)c1ccccc1 378385417 XZNWYOQKWZKEPA-ISXOHVOVSA-N 269.388 3.747 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 466328062 QIIFGUSPTYDXSM-ZQDZILKHSA-N 264.413 3.561 30 20 CHED Cc1nc(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c(Cl)cc1C#N 461951519 YATGTNYTVMCXIM-CWRNSKLLSA-N 295.773 3.665 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCC[C@@H]1CC(C)C 280989434 DUGBBALLTBRONW-CYBMUJFWSA-N 274.364 3.501 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2ccn(C)c2c1 468073093 INMMCXUCIOEHAM-INIZCTEOSA-N 256.349 3.719 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(Cl)c1N(C)C 466367319 SHBDDMIFPWRLHI-LLVKDONJSA-N 295.814 3.882 30 20 CHED N#CCc1ccc(CN2CC[C@H](c3cccc(F)c3)C2)cc1 558150582 OEEYGMMJIKLFPZ-SFHVURJKSA-N 294.373 3.881 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C2CC2)C(F)(F)F)cc1 806662736 PLSNXNBCAOMADX-XHDPSFHLSA-N 297.320 3.690 30 20 CHED CCCc1nc(C)c(CN[C@H](C)c2cccc(C#N)c2)o1 293751274 RKHXZYJGBMBASC-GFCCVEGCSA-N 283.375 3.658 30 20 CHED Cn1ccc2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc21 294354515 BHTGLNDQNWXXRL-SFHVURJKSA-N 293.370 3.591 30 20 CHED CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCCC#N)o1 292058379 HEZLFXHAHXPOQU-UKRRQHHQSA-N 288.391 3.835 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H](c3cccnc3)C2)cc1 800220967 FJCFBPROJXJLMH-MJGOQNOKSA-N 291.398 3.769 30 20 CHED CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[C@H](C#N)C1 293374793 FYVNEEACHFBFBJ-HKUYNNGSSA-N 297.446 3.801 30 20 CHED C#Cc1ccc(CNc2ccc(N3CCCCC3)cn2)cc1 809608119 NRTWOTOJBPVOES-UHFFFAOYSA-N 291.398 3.665 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 476535225 APPGLBKYXPQCOH-AWEZNQCLSA-N 284.403 3.962 30 20 CHED Cc1c(C(=O)OC[C@@H](C)C#N)sc2cc(F)ccc12 805899000 GIOWYKIOZDFVKO-QMMMGPOBSA-N 277.320 3.665 30 20 CHED C=C(C)COc1cc(CN2CC[C@@H](C)[C@@H]2C)ccc1OC 560662435 HNUZKFFWWKGLSY-CABCVRRESA-N 289.419 3.880 30 20 CHED C=CCC[C@H](Nc1cnn(C2CCOCC2)c1C)C1CC1 296633428 BMOXYOMYKUOMIL-INIZCTEOSA-N 289.423 3.700 30 20 CHED N#Cc1ncccc1N1CCC(=Cc2cccc(F)c2)CC1 564618817 DTAHXLUDPKEJLT-UHFFFAOYSA-N 293.345 3.776 30 20 CHED COc1c(F)cc(F)cc1NCc1ccc(F)c(C#N)c1 471653135 MRMCTYARSJGONS-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C#C[C@@H](NC(=O)N[C@H](C)CCC)c1ccc(Cl)cc1F 804871489 JUYLKUSXYKEWTF-QMTHXVAHSA-N 296.773 3.641 30 20 CHED C=CCC[C@H](NC(=O)CCCC#N)c1ccccc1 291056881 AKQZUVBSVQBDLH-HNNXBMFYSA-N 256.349 3.504 30 20 CHED C#CCCCC(=O)N1CCC(c2ccc(F)cc2C)CC1 292902529 RCTPYNRARBUTRT-UHFFFAOYSA-N 287.378 3.644 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(O)cc2)c(C)c1OC 806569756 ZJXKZKGZKFDRIA-UXBLZVDNSA-N 298.338 3.614 30 20 CHED N#CCCC1CCN(CCOc2ccccc2Cl)CC1 563068186 LERCXCUWWDFQBQ-UHFFFAOYSA-N 292.810 3.735 30 20 CHED N#Cc1ncccc1NCc1ccccc1N1CCCCC1 290937433 KVJPPKXLWVCMBU-UHFFFAOYSA-N 292.386 3.556 30 20 CHED CCCCCCC[C@@H](C)NCc1ncnn1C(C)(C)C 800536719 VEFVAZIOXUPCBW-CQSZACIVSA-N 280.460 3.872 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@H]2CCCF)n1 800812896 NTCHJOAWJHHIDG-JTQLQIEISA-N 284.766 3.756 30 20 CHED Cc1cccc([C@@H](C)CNc2snc(C)c2C#N)c1 561213526 BDFJXLYSLFPEGK-NSHDSACASA-N 271.389 3.847 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C2CC2)nc1C 297895252 YGMJZALAMOAYOX-UHFFFAOYSA-N 299.418 3.860 30 20 CHED Cc1cc(S[C@H](C)c2nc(C3CC3)no2)ccc1C#N 563886446 KUHNVDHLGXAYDG-SNVBAGLBSA-N 285.372 3.980 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 484069167 LPEIHFMJNFLOLG-ZDUSSCGKSA-N 287.407 3.880 30 20 CHED C=CCCCCCCCNC(=O)C1=C(C)OCCC1 811589810 HKBMSRNSJHSSKS-UHFFFAOYSA-N 265.397 3.714 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCc2nc(Cl)ccc21 815636726 AIVONVQPTUDJST-GFCCVEGCSA-N 264.800 3.914 30 20 CHED C=CCCSCC(=O)NC[C@@H](c1ccccc1)C(C)C 564385831 VSHOWWYMAOMJFQ-MRXNPFEDSA-N 291.460 3.852 30 20 CHED CC1(CNC[C@H](O)c2ccc(C#N)cc2)CCCCCC1 819210464 DVOKIIOJLCTZSR-KRWDZBQOSA-N 286.419 3.542 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl 484327824 XINYLOIWYMTTEW-ABAIWWIYSA-N 276.767 3.832 30 20 CHED Cl/C=C/CON=Cc1cnc(-c2cccs2)s1 811671844 LBKIEZWZWKPSAM-GIBWFFBWSA-N 284.793 3.975 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2ccc(F)cc21 489676116 HJXPJKZCQPXFCR-GFCCVEGCSA-N 266.319 3.821 30 20 CHED CCCCCCCCNC(=O)Nc1cc(C2CC2)n(C)n1 810276968 BWEKCOGIRXNAMU-UHFFFAOYSA-N 292.427 3.780 30 20 CHED C=CCCCCS[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O 572104445 WPUPJQCHTUVAAG-BFHYXJOUSA-N 267.438 3.523 30 20 CHED Cc1ccc(NN=C2CC[C@@H]3CNc4cccc2c43)nc1 814831566 HUAJNTBMWAZENC-GFCCVEGCSA-N 278.359 3.509 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1scc(C)c1C#N 575022940 KFVMKICRQOGTIM-SNVBAGLBSA-N 264.394 3.939 30 20 CHED C#C[C@H](NC(=O)C[C@H](C)CC)c1ccc(Cl)cc1 811949309 UOUGOQPRWDQAOZ-RISCZKNCSA-N 263.768 3.567 30 20 CHED COc1cccc(CSc2ccc(Cl)c(C#N)n2)c1 486947970 WKYSXPTWYAXCLA-UHFFFAOYSA-N 290.775 3.908 30 20 CHED Cc1cccc(CC(=NOCCOC(C)C)C2CC2)c1 812239466 USZFJVKHYUHLDH-UHFFFAOYSA-N 275.392 3.745 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)CC1 574990221 OJYLFIOJVKTVQY-BBRMVZONSA-N 262.397 3.567 30 20 CHED C=CCn1cccc1C(=O)N(CC)[C@H]1CCCC[C@H]1C 489996976 YROHOKUBNMIMCU-CABCVRRESA-N 274.408 3.715 30 20 CHED C=CCOCC(=O)O[C@H](C)c1oc2ccccc2c1C 729895699 ZTZBLJBLKLEFDS-GFCCVEGCSA-N 274.316 3.548 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1cccc(C)c1 812442064 OJZIKOHSEZHIDE-UHFFFAOYSA-N 268.316 3.529 30 20 CHED C#CCN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727790576 YIBAJOVWCJQCBK-VXGBXAGGSA-N 296.197 3.579 30 20 CHED C=CCC1(NCc2cccc(CCC)c2)CCOCC1 657633374 MYCYOLRHGVLGRZ-UHFFFAOYSA-N 273.420 3.854 30 20 CHED C[C@@H](Oc1ccc2c(c1F)CCC2=O)c1cccc(C#N)c1 575478086 YWFPKYOJFYNXMF-LLVKDONJSA-N 295.313 3.966 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)C1 481598236 PWEQHDWVZFHJCT-NEPJUHHUSA-N 289.354 3.645 30 20 CHED C=CCSCCNC(=O)N(CC=C)CC1CCCCC1 483663410 UTZNNYPBKQGEIT-UHFFFAOYSA-N 296.480 3.684 30 20 CHED C#C[C@@H](NC(=O)c1ccoc1Cl)c1ccc(Cl)cc1 491680865 KGBBMEFWTJSMAE-GFCCVEGCSA-N 294.137 3.691 30 20 CHED Cc1ccc(OCCSCC2(C#N)CCC2)cc1 828833630 HXEFWFJVVKXVQJ-UHFFFAOYSA-N 261.390 3.801 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C/c1cccc(OC)c1O 727781066 CHHHBILDBXPWQG-HUCUOGIVSA-N 283.371 3.841 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C[C@H](C)CC)cc1 571578109 FIJKDVJGTXFSJX-CZUORRHYSA-N 272.392 3.708 30 20 CHED C=CCCCC(=O)N(C)[C@H](CC)c1ccccc1OC 578544279 AEVQSRMXWPHZHL-OAHLLOKOSA-N 275.392 3.961 30 20 CHED C#Cc1cccc(N(CC)CCCCCn2cccn2)c1 729477752 CAYZZUYWNOCAJM-UHFFFAOYSA-N 281.403 3.561 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C(C)(C)C)s2)C1 664252986 GWBPFUDUQMNTHD-LLVKDONJSA-N 265.426 3.628 30 20 CHED C#C[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1F 491231857 WLOWYYPOGCWYHC-QGZVFWFLSA-N 298.748 3.815 30 20 CHED Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2Cl)c(C)[nH]1 727650248 SYKZMXBSTDFBLJ-UHFFFAOYSA-N 292.726 3.639 30 20 CHED C=CCC[C@@H](NC[C@H](CO)C1CCCCC1)C1CC1 580578816 JLJKEEBCWOSOMI-IAGOWNOFSA-N 265.441 3.510 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)c1cnn(C(C)C)c1 664099012 SIOPOYMMGZEXJE-CYBMUJFWSA-N 292.427 3.569 30 20 CHED C=CCC1(CNCc2ccc(Cl)nc2)CCCC1 825079175 MTADZSPDORIVFE-UHFFFAOYSA-N 264.800 3.961 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ccc(F)c(F)c1 588618407 QXRWVSIIUZMOQR-VURMDHGXSA-N 269.250 3.733 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](O)c1c(F)cccc1F 823925451 XSYFXDCLPRMZQZ-DOMZBBRYSA-N 283.362 3.723 30 20 CHED Cc1coc(C(=O)OCCCCC2(C#N)CCC2)c1 909486724 AJVJDZCUROWLPE-UHFFFAOYSA-N 261.321 3.609 30 20 CHED Cn1ncc(C2CC2)c1C=NNc1ccc(F)cc1Cl 901318219 QSPLWNWPJLJZAB-UHFFFAOYSA-N 292.745 3.536 30 20 CHED C=CC[C@@H](NC(=O)CCc1ccccc1C)c1ccncc1 734461552 ZXYFCXILWIIINQ-GOSISDBHSA-N 294.398 3.756 30 20 CHED C[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730615307 UIGMTOYLYJNKHM-AVPPRXQKSA-N 284.142 3.552 30 20 CHED N#CCCCCCC(=O)N[C@H](CCC#N)c1ccccc1 588654227 KKRMZFWDEMUWJH-MRXNPFEDSA-N 283.375 3.622 30 20 CHED CC[C@H]1c2ccsc2CCN1C(=O)C#CC(C)(C)C 837343289 IBKJLBCLVLIUAL-ZDUSSCGKSA-N 275.417 3.633 30 20 CHED Cc1cc(-c2ccccc2C#N)ccc1O[C@@H]1CCOC1 589962466 APOCBMDHIUQGGW-MRXNPFEDSA-N 279.339 3.701 30 20 CHED Cc1ccc([C@@H](C)C(=O)N2CCCc3cc(C#N)ccc32)o1 839396038 MWPJNUDZSLTTSQ-CYBMUJFWSA-N 294.354 3.543 30 20 CHED CCCCCCCCCN(C)C(=O)Cc1cccnc1 731978821 UAZJXXLQKQFAFU-UHFFFAOYSA-N 276.424 3.833 30 20 CHED CC(C)(C)OC(=O)NC[C@H]1CCC(=NOC2CCCC2)C1 901209908 CCZRROMCMNRXFE-LBPRGKRZSA-N 296.411 3.626 30 20 CHED N#CCC[C@@H](C#N)CNc1ccc(N2CCCCC2)cc1 732917936 ULTRNUBNDJOLKN-HNNXBMFYSA-N 282.391 3.532 30 20 CHED N#CC1(c2ccc(-c3cccc(CO)c3)cc2)CCC1 906154270 SCFQSWSWOWMWHV-UHFFFAOYSA-N 263.340 3.791 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(-c2ccco2)s1 675723820 AIPAYGQIGABMFF-UHFFFAOYSA-N 273.357 3.822 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cc(Cl)ccc1O 834890132 DBFYICNESGJUHF-FMKPAKJESA-N 295.810 3.820 30 20 CHED C=CCN(CCC(C)(C)C(=O)O)CC1CCCCC1 902254276 ZAFWGFDQKGRZSR-UHFFFAOYSA-N 267.413 3.556 30 20 CHED CCCCCCCCN[C@@H](C)C1(OC)CCOCC1 834630042 SZLAYYHVIGSRHD-HNNXBMFYSA-N 271.445 3.521 30 20 CHED CN(CCC#N)c1ccc(C=NOCc2ccccc2)cc1 839419543 HBMUYFFVJWHFTJ-UHFFFAOYSA-N 293.370 3.587 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1 733618968 FSCSXTYFXJPDLK-DVOMOZLQSA-N 270.376 3.614 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 736398088 UJWXSIUVJCKURT-ZDUSSCGKSA-N 280.799 3.758 30 20 CHED CCN(CC)c1ccc(/C=N\Cc2ccc(C)nc2)c(O)c1 915981490 DBCHLQQKVFMHJW-UYRXBGFRSA-N 297.402 3.561 30 20 CHED CCN(C)c1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cn1 588579418 NVFQSXFYIZUSSN-MHWRWJLKSA-N 292.382 3.669 30 20 CHED CCOc1ccc(N=Cc2cc(OC)ccc2O)c(C)c1 917557527 QBPUETXFYRLVPN-UHFFFAOYSA-N 285.343 3.859 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1ncccc1C(F)(F)F)OC 834940431 GEAPYOCIGIICDZ-MWLCHTKSSA-N 289.301 3.559 30 20 CHED CC(=NNc1ncccc1Cl)c1cc(F)ccc1F 917549210 KMELIXFUCFOHIB-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CN(C(=O)C[C@H]1CCCCC1(C)C)c1ccc(C#N)nc1 593273177 IQCRMQDYDPBYLY-CYBMUJFWSA-N 285.391 3.523 30 20 CHED CCCCCCCCOC(=O)c1cc2c(nc1O)CCC2 918493981 JNTHEWBJIRHRSA-UHFFFAOYSA-N 291.391 3.793 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2cc(C)nc(C)n2)cc1 747633852 XRQJHALSSLTHME-GFCCVEGCSA-N 298.390 3.694 30 20 CHED C=C(C)CN(C)C(=O)c1cccc(Oc2nccs2)c1 679204417 DVELBPSLCVAVCE-UHFFFAOYSA-N 288.372 3.584 30 20 CHED CCc1cc(C)nc(N[C@@H]2CCCc3cc(C#N)ccc32)n1 591370707 FNYUHXMCEVTOLL-QGZVFWFLSA-N 292.386 3.709 30 20 CHED CS[C@H](C(=O)OCc1cccc(C#N)c1)c1ccccc1 740363192 OQSDRECVFJBAKF-INIZCTEOSA-N 297.379 3.706 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCC[C@H]1CCC 590639024 AAEJXXYJMARHOU-CABCVRRESA-N 266.429 3.953 30 20 CHED CCSC1(CN[C@H]2CCCc3cc(C#N)ccc32)CC1 595098250 FQAOLYUKPBZPEO-INIZCTEOSA-N 286.444 3.811 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)O[C@@H](C#N)C(C)C 842298118 CQKNLSJLFDZBGY-KBPBESRZSA-N 277.389 3.649 30 20 CHED CO[C@@H](C=NNc1ncc(Cl)cc1Cl)CC(C)C 841610751 RYWHWDUZYQRDMU-SNVBAGLBSA-N 290.194 3.847 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@@H](C3CC3)C2)n1 741765266 CCEHGYSYZYJPRE-LLVKDONJSA-N 278.787 3.807 30 20 CHED CCCCCCCC(=O)Nc1ccnn1CCCC 915182111 FBYOOZFFWFNUMK-UHFFFAOYSA-N 265.401 3.982 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccnn2CC2CC2)c1C 849245326 QMSYQEBKIIXNCJ-CMDGGOBGSA-N 280.371 3.806 30 20 CHED CCc1nnc(S[C@H](C#N)C2CCCCC2)s1 594914358 LSCGJBJGOMUQEE-SNVBAGLBSA-N 267.423 3.665 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 594258092 MCYKNNIIOGQGJF-QAPCUYQASA-N 298.430 3.774 30 20 CHED C#CCCCNCc1c(OC(F)F)ccc2ccccc12 742385122 NTGQFYYTAZWIEU-UHFFFAOYSA-N 289.325 3.944 30 20 CHED C=CCNC(=S)N(C)[C@H]1CCCC[C@H]1c1ccccc1 840862410 GDCRLLPAFXHEFA-HOTGVXAUSA-N 288.460 3.705 30 20 CHED CC(=NNc1nncc2ccccc12)c1cccc(C)c1 915914083 HKIMOGYXIBGWKQ-UHFFFAOYSA-N 276.343 3.774 30 20 CHED Cc1cc(C)cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 593938964 SAWVIPZZCNBMPQ-HNNXBMFYSA-N 292.382 3.992 30 20 CHED CN(Cc1ccc2ccccc2c1)C[C@H](O)CC(C)(C)C#N 598587391 PUDMQAZFPDISNU-GOSISDBHSA-N 296.414 3.572 30 20 CHED Cc1cc(Cl)ccc1OC(=O)c1ccc(C#N)s1 749308402 LQKGWBACOZTQQB-UHFFFAOYSA-N 277.732 3.801 30 20 CHED C/C=C(\CC)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842944357 JNRXXBKMWGAUIO-BWLWAFFFSA-N 260.362 3.553 30 20 CHED CCCCCCCCCCNC(=O)N(C)C1CCNCC1 841859176 ZXUQKQQSSNKENW-UHFFFAOYSA-N 297.487 3.521 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccc(O)c1)CC2 741848143 LPSYNRVNYGKASP-ZROIWOOFSA-N 280.323 3.613 30 20 CHED COCC[C@H](c1ccccc1)N1CCC(CCC#N)CC1 592135174 POAIKTRERBEQEW-GOSISDBHSA-N 286.419 3.780 30 20 CHED CCCCc1nc2ccccc2n1C[C@H](O)CC(C)(C)C#N 598704752 SJDXJVUYLXKTTG-CQSZACIVSA-N 299.418 3.680 30 20 CHED COc1ccc(O)c(/C=N/CCc2ccc(Cl)s2)c1 915982938 JIRJNVCNCORYOV-CXUHLZMHSA-N 295.791 3.777 30 20 CHED C=C(Cl)CN(C)Cc1cccc(C(F)(F)F)c1 917065374 YICTXDZLBIRMRD-UHFFFAOYSA-N 263.690 3.890 30 20 CHED CC(C)Cn1nccc1/C=C1/C(=O)c2ccccc2[C@@H]1C 843268726 MNVIZYAHSACXBE-VZWMTCDZSA-N 280.371 3.923 30 20 CHED C[C@@H](OC(=O)[C@H]1CC12CCCC2)c1cccc(C#N)c1 747479206 PHBJDFAORBGRCK-IUODEOHRSA-N 269.344 3.743 30 20 CHED N#Cc1ccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1C#N 597275535 YOIUTZVMSIACRR-HOTGVXAUSA-N 293.370 3.585 30 20 CHED Cc1ccc(CNCCc2ccc(C#N)cc2)c(C)c1 594954139 CAPIYEFOYFWKEF-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C=CCCSCCN[C@H]1CCCNc2ccccc21 595059824 PKAFESREHUILRV-INIZCTEOSA-N 276.449 3.832 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1ccnc(C(C)(C)C)n1 591830888 YIKPYXJPJMKJLG-ZDUSSCGKSA-N 294.402 3.843 30 20 CHED Cc1cccc(Cl)c1CSCCO[C@@H](C)C#N 842185333 ZIVSURPNBLWQJG-NSHDSACASA-N 269.797 3.810 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)CCSC 740057040 AQPQCCXPDFYYLP-ZDUSSCGKSA-N 272.458 3.516 30 20 CHED C#C[C@H](NC(=O)CCCSC(C)(C)C)c1ccccc1 843642290 MLPCTVYKAMWUTB-HNNXBMFYSA-N 289.444 3.789 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c(Cl)cccc21 683788105 GWHBVGMPAPOTIE-SWLSCSKDSA-N 289.806 3.937 30 20 CHED C=CCCOCC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 682012831 SSNRFENDJBUFEM-LSDHHAIUSA-N 281.440 3.690 30 20 CHED C#CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 756997876 PIIFKYBFGQBTGH-SFHVURJKSA-N 296.389 3.746 30 20 CHED CCCCCCOc1cccc(CNC[C@H](C)C#N)c1 757904530 AFEPYGSOODRQTB-OAHLLOKOSA-N 274.408 3.895 30 20 CHED C=C[C@@H](OC(=O)[C@@H](C)C(F)(F)F)c1ccccc1 851452415 RYDSRHFVVOXRJU-MWLCHTKSSA-N 258.239 3.655 30 20 CHED CCc1nc(C=NNc2cc(F)c(F)cc2F)cs1 755731916 YZJSODRVXDYPCL-UHFFFAOYSA-N 285.294 3.569 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1cccc(C)c1 853782824 AUWGNTJJSPWNHL-NSHDSACASA-N 269.797 3.808 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccccc1F 755628143 GRXGJMAKQKAJMZ-UHFFFAOYSA-N 288.370 3.840 30 20 CHED Fc1ccc(/C=C/C=NNc2nc3ccccc3[nH]2)c(F)c1 758074499 VTAPLYQVXPYNDZ-OVZMFLLRSA-N 298.296 3.952 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCc2sccc2[C@H]1C 929464957 RSDGEFJKRKIISI-GFCCVEGCSA-N 296.395 3.688 30 20 CHED Cc1ccc(C(C)C)c2c1C(=NNc1ncccn1)CCO2 753923185 DHRUOPUGXKETPE-UHFFFAOYSA-N 296.374 3.507 30 20 CHED Cc1c(NN=Cc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] 755699261 WQUDOODNGAJNLZ-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C#C[C@H](CC)NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 754366192 GCOBBPNMIDFIJR-WMLDXEAASA-N 271.404 3.832 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(-n2ccnc2)c(F)c1 926060927 QBWULECUGPXZML-LBPRGKRZSA-N 286.354 3.752 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 753415405 FTJPVIAUJJHYFK-ZETCQYMHSA-N 297.141 3.934 30 20 CHED CC(=NOCC(F)F)C(C)(C)c1ccc(F)cc1 758902132 DOKRMIFFFSXSAY-UHFFFAOYSA-N 259.271 3.761 30 20 CHED CCSc1ccc(C(C)=NNc2cc(C)ncn2)cc1 755727654 MLNXJUPEMFLTTR-UHFFFAOYSA-N 286.404 3.733 30 20 CHED C=CCC[C@@H](NCc1ccnc(N(C)C)c1)c1ccccc1 754168552 YPXMJNWMAZBNSQ-GOSISDBHSA-N 295.430 3.945 30 20 CHED CO[C@@H](CNc1nc2ccccc2cc1C#N)C(C)(C)C 750030201 QIPSHCFOIJKYDH-HNNXBMFYSA-N 283.375 3.579 30 20 CHED COc1cc(C)cc2c1OC/C(=C/c1cccs1)C2=O 920389834 OFDURMLSKXIFTB-FLIBITNWSA-N 286.352 3.724 30 20 CHED O=C1/C(=C/c2cccc(F)c2)COc2c(F)cc(F)cc21 920066032 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286.158 3.773 30 20 CHED C#CC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1 766091483 YSFCGFHCCHGGRB-INIZCTEOSA-N 291.310 3.643 30 20 CHED CC(C)(C)c1cnc(CON=Cc2cccc(F)c2)o1 760417148 SDHTXDAFHMZJNQ-UHFFFAOYSA-N 276.311 3.662 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(NC(=O)C(C)C)c1 930067122 VGONGWOFRMHEEF-ZDUSSCGKSA-N 288.391 3.822 30 20 CHED C#C[C@@H](OC(=O)C[C@H](OCC)C(=C)C)c1ccc(C)cc1 860964823 XLLLERNKYHLETE-SJORKVTESA-N 286.371 3.584 30 20 CHED C=CCCCC(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1 869891509 PTWBURZHUDEKKO-ZDUSSCGKSA-N 287.281 3.577 30 20 CHED CC(C)CON=Cc1ccc(Sc2ccccn2)o1 766453134 OLRQYHAVCHULQR-UHFFFAOYSA-N 276.361 3.832 30 20 CHED C#C[C@@H](C)N(C)C(=O)CCCc1ccc2ccccc2c1 767237427 OHDGFDOCQSIZNR-OAHLLOKOSA-N 279.383 3.643 30 20 CHED Cc1cc(C=NNCCCOc2ccccc2)c(C)s1 760252362 FOORUZQAOLGGIH-UHFFFAOYSA-N 288.416 3.758 30 20 CHED COc1cc(OC(=O)[C@@H]2CCCC(C)(C)C2)ccc1C#N 767155977 AHAJGRBYFZJVNU-GFCCVEGCSA-N 287.359 3.689 30 20 CHED CCC[C@H](C(=O)OCc1ccc(OCC#N)cc1)C(C)C 763846385 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C#CCCCC(=O)Nc1cc(Cl)cc(Cl)c1F 876461599 WWQMHLNQRKMILJ-UHFFFAOYSA-N 274.122 3.875 30 20 CHED C=Cn1cc(C=NOCc2ccc(C(F)(F)F)cc2)cn1 773067435 HWIPSJYZSAOJMD-UHFFFAOYSA-N 295.264 3.553 30 20 CHED C=CC[C@H](N[C@@H](C)C1CCSCC1)c1ccncc1 779023638 HMIOHYNOIQDSMD-BBRMVZONSA-N 276.449 3.820 30 20 CHED CCCOc1cccc(CC/N=C\c2cccc(O)c2O)c1 771098804 PZINDUHQWJKDLS-UYRXBGFRSA-N 299.370 3.548 30 20 CHED CCCCCCCc1nc(-c2nnc(SC)s2)no1 771475687 XHALSXGEJASWCW-UHFFFAOYSA-N 298.437 3.823 30 20 CHED C#CCCCCCC(=O)Nc1cccc(COCC)c1 779900114 RCHGUFLFJPOBLF-UHFFFAOYSA-N 273.376 3.745 30 20 CHED C#CCCCCCC(=O)NCc1ccc(Cl)cc1 779708611 XFBALQZECGFWTH-UHFFFAOYSA-N 263.768 3.540 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1ccnc(C)n1 776497864 SYIIHAGWWYTVPU-UHFFFAOYSA-N 292.427 3.999 30 20 CHED N#CCOc1ccc(COC(=O)C2=CCCCCC2)cc1 775042541 SKLBBWBPDPLOCU-UHFFFAOYSA-N 285.343 3.523 30 20 CHED C=CCC[C@H](C(=O)OCc1cncn1CC)c1ccccc1 1123473522 SLDIDSXIDXIYND-KRWDZBQOSA-N 298.386 3.696 30 20 CHED FC(F)(F)[C@H]1CCCC(=NNc2ncncc2Cl)C1 783523809 KRBKJAUUDXURGB-ZETCQYMHSA-N 292.692 3.650 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2[nH]c3ccccc3c2Cl)C1 1122717592 KNNIYKMDWCZZEV-NXEZZACHSA-N 288.734 3.670 30 20 CHED CC1(C)CCC(=NNc2nc3cc(F)c(F)cc3[nH]2)C1 783825205 VOTOHTCQIZINKE-UHFFFAOYSA-N 278.306 3.819 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1ocnc1C 893904884 HGCAPPIMHWNDLZ-UHFFFAOYSA-N 282.796 3.886 30 20 CHED C/C(=C/C(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CC1 887706183 PQRNQLSMRTUXNK-OWBHPGMISA-N 294.398 3.621 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)Cc2cc(F)ccc21 782324981 JIBSSXNTOHSKGE-YRNVUSSQSA-N 285.343 3.982 30 20 CHED Cc1cc(C)c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c(C)n1 1126638278 URDSTORVGYTQOE-AWEZNQCLSA-N 294.354 3.797 30 20 CHED Cc1cc(C)c2cc(NC(=O)C3(C#N)CC(C)C3)ccc2n1 899781436 AXTQYBYJTJQKMN-UHFFFAOYSA-N 293.370 3.730 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCCC2)cc1 785488885 KABHOFSRAKCZEV-KRWDZBQOSA-N 272.392 3.828 30 20 CHED C=CCCOC(=O)c1c(F)ccc(C)c1Br 785108197 YKCBWVMYKCMIGR-UHFFFAOYSA-N 287.128 3.630 30 20 CHED CCc1onc(C)c1/C=C1\CCc2c(OC)cccc2C1=O 899370731 KSKIOPDEAXSDKM-ZRDIBKRKSA-N 297.354 3.767 30 20 CHED C=CC(C)(C)CC(=O)OC(C(F)(F)F)C(F)(F)F 893079746 BKOCVWQUWLOFOE-UHFFFAOYSA-N 278.192 3.625 30 20 CHED Cn1cc(/C=C2\CCc3ccccc3C2=O)c(C2CC2)n1 899335997 NVPUNCFPSXFDEJ-GXDHUFHOSA-N 278.355 3.510 30 20 CHED N#Cc1ccccc1NCc1ccc(Cl)c(F)c1 43388332 WUKOJJFNSWGFRZ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 781164260 PCGSGACWKCBYDH-ZIAGYGMSSA-N 289.375 3.731 30 20 CHED CCS[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2CO)C1 892813009 PMYKTPIUSXBBBE-CABCVRRESA-N 290.432 3.527 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NN[C@H]1CCCC1(C)C 782287530 MMISZMZOSFWCST-HNNXBMFYSA-N 290.455 3.757 30 20 CHED C[C@@H]1CC(=NN[C@@H]2CCCOC2)C[C@@H](c2ccccc2)C1 780260211 JHLYJRYTUHZMGF-BHYGNILZSA-N 286.419 3.715 30 20 CHED C=C1CC(c2noc(-c3ccc(OCC)cc3)n2)C1 896890117 HVBOXIINESXFDN-UHFFFAOYSA-N 256.305 3.569 30 20 CHED C=CC[C@H](C)C(C)=NNc1nnc(-c2ccccn2)s1 788027533 RJFIXXSHFGXMDS-JTQLQIEISA-N 287.392 3.600 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](F)CC1CCCCC1 793027330 HJPGKAIYZDRLAL-CQSZACIVSA-N 255.377 3.720 30 20 CHED C=C(C)CN(CC)C(=S)Nc1cc(Cl)ccc1OC 792672285 NKUQCGJFFLQZBQ-UHFFFAOYSA-N 298.839 3.943 30 20 CHED Cc1cccc(NC(=O)NCc2ccc(C#N)c(F)c2)c1C 1202713746 VUJSIWFTMXYYJP-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C(=NNc1nc2ccccc2s1)[C@@H]1CCCSC1 794856863 SADZOPCLAPGYGG-JTQLQIEISA-N 277.418 3.837 30 20 CHED CC[C@H](C)NN=Cc1csc(-c2ccc(C)cc2)n1 790188474 JLLKKVXOTQTJMY-LBPRGKRZSA-N 273.405 3.841 30 20 CHED COc1ccc(NN=Cc2ccc3occc3c2)cc1 794924013 UBDHKVDBAHZEPF-UHFFFAOYSA-N 266.300 3.887 30 20 CHED CC[C@H](C)NN=C(C)c1oc2ccc(OC)cc2c1C 790186906 CTCGBJRNYFKUGZ-JTQLQIEISA-N 274.364 3.862 30 20 CHED CC(C)(C(=O)[C@@H](C#N)c1ccc2ccccc2n1)C(F)F 796629125 NQEDBDADGOVUON-NSHDSACASA-N 288.297 3.702 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CN(C2CC2)C[C@H]1C 793536461 WNCGBNUOTNQHHB-VYDXJSESSA-N 264.457 3.584 30 20 CHED CCCCCCCCN1CCC[C@H]1c1nc(C)no1 796691011 CMARUTZBUSHNNI-AWEZNQCLSA-N 265.401 3.875 30 20 CHED CC(C)Oc1ccc(N[C@H](C)C2CCOCC2)cc1C#N 793063816 WGOKMPMSRQUVKK-CYBMUJFWSA-N 288.391 3.572 30 20 CHED Cc1ccc(C(=O)N(C(C)C)C2CCCC2)cc1C#N 799303703 LEDYUIDABKDEGE-UHFFFAOYSA-N 270.376 3.660 30 20 CHED C=C(CNC(=O)C(C)(C)Nc1ccccc1)c1ccccc1 1141793739 ZGDKCHXMWUAZIA-UHFFFAOYSA-N 294.398 3.707 30 20 CHED CC[C@H](O)CN(CCCC(C)(C)C#N)Cc1ccccc1 134477107 OUSFTQQEWNTWJW-KRWDZBQOSA-N 288.435 3.589 30 20 CHED N#C[C@@H](NC(=O)CC1CCCCCC1)C1CCCCC1 135824675 SQRKTYUCXOGUAV-MRXNPFEDSA-N 276.424 3.936 30 20 CHED N#Cc1sc(NC[C@@H]2CCC[C@@H]2C2CC2)nc1Cl 1307141399 MDTMBGPYLSDVAH-VHSXEESVSA-N 281.812 3.906 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC(F)(F)F)cc1 58625869 DNKATQIMDBYUEQ-UHFFFAOYSA-N 273.298 3.983 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC)c(Br)c1 61758779 YMWGJXHQCMEOTI-UHFFFAOYSA-N 298.224 3.856 30 20 CHED COc1cccc([C@@H](C)Sc2cccc(C#N)n2)c1 1162773636 FXXHWLZBDIQKQI-LLVKDONJSA-N 270.357 3.815 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(F)cc1Cl 57157957 FOMHPZREZGRCBK-UHFFFAOYSA-N 255.720 3.517 30 20 CHED N#Cc1ccc2c(c1)CCCN2C[C@H]1CCC2(CCCC2)O1 1170661733 QALWUTVCXXSMDJ-QGZVFWFLSA-N 296.414 3.803 30 20 CHED C=CCN(Cc1nc(Cl)ccc1Cl)C1CC1 274359642 ZDLOGHGSBFYFDN-UHFFFAOYSA-N 257.164 3.539 30 20 CHED C=CC[C@@H](C)NCc1cccc(Br)c1F 395016228 OFJSTFDIPCMTBK-SECBINFHSA-N 272.161 3.642 30 20 CHED C#C[C@@H](NC(=O)c1ccc2sccc2c1)C(C)(C)C 702250933 PGACLXZVCYUQTK-CQSZACIVSA-N 271.385 3.679 30 20 CHED CC(C)C#Cc1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 1327365642 SVQGUQJOHUNDDC-LLVKDONJSA-N 290.750 3.871 30 20 CHED C=C(CC)CNC(=O)c1[nH]c2ccc(C)cc2c1Cl 1326730918 VNFYIEBIVUHTNP-UHFFFAOYSA-N 276.767 3.826 30 20 CHED C/C=C(/C=C\c1nnc(-c2cccc(C#N)c2)o1)CC 1327907425 PPHJHIXXEHFZFJ-MIFLFFNBSA-N 265.316 3.978 30 20 CHED N#Cc1ccc(COc2cccc(F)c2F)c(F)c1 62614823 MFRXYLWBTVHSBL-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C=CCC1(NCc2ccsc2C(=O)OC)CCCC1 595779702 FHIFFTUXEFVMGG-UHFFFAOYSA-N 279.405 3.513 30 20 CHED COc1cccc(N[C@@H](C)CC(C)(C)C#N)c1F 689953723 MNNXGLFMWORDAI-JTQLQIEISA-N 250.317 3.575 30 20 CHED CSCC[C@@H](C)Nc1nc(C(C)(C)C)ccc1C#N 767194288 IXSZSCACJNRALZ-LLVKDONJSA-N 277.437 3.804 30 20 CHED Cc1nc(N(C)[C@@H](C)Cc2ccc(Cl)cc2)ccc1C#N 1185367759 YZSPSMAOYDEGIF-LBPRGKRZSA-N 299.805 3.983 30 20 CHED N#CCc1ccc(NCc2cccn2C2CC2)cc1 1333556297 AWQLUAMZKSCVHR-UHFFFAOYSA-N 251.333 3.501 30 20 CHED C[C@@H]1CCC[C@@H](CNc2cccc(CC#N)n2)[C@@H]1C 1256388082 KTEYEPZCGFOMBX-MCIONIFRSA-N 257.381 3.632 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)CC(C1CC1)C1CC1 1331286081 PECZIEBLFQURGI-UHFFFAOYSA-N 294.398 3.664 30 20 CHED CC(C)(C)[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 1193798762 WBFSEMQRXHGLDI-MRXNPFEDSA-N 286.419 3.695 30 20 CHED C=C(C)CCC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 1337087682 JJWUAGMYAMUMDP-WMZOPIPTSA-N 287.403 3.627 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1SCCC#N 1338404690 WUJOOBRKFLQPQN-UHFFFAOYSA-N 274.389 3.987 30 20 CHED N#Cc1cc(CN2CCc3c(Cl)cccc32)ccc1F 1191900784 UVYIPNOCFDKJTF-UHFFFAOYSA-N 286.737 3.913 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)O[C@@H](CC#N)c1ccco1 1263660633 LGBLQBALBHQMDI-CJNGLKHVSA-N 283.327 3.890 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(C)nc2Cl)C1 1346544595 QUWCUOPEMJYALR-LBPRGKRZSA-N 293.798 3.863 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(SC)oc1C 1347522836 SMADTJHPLYOGDD-LBPRGKRZSA-N 279.405 3.881 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)c1cccn1C)c1cccs1 1348801206 YVNHNODFLQCQDV-RISCZKNCSA-N 288.372 3.534 30 20 CHED C[C@@H](OC(=O)c1ccc(Cn2cccc2)cc1)C(C)(C)C#N 1343330669 IWWDKAFIBCMWNP-CQSZACIVSA-N 296.370 3.631 30 20 CHED C#CCCCCCC(=O)N1CCC(Oc2ccccc2)CC1 1346632559 GUJHFXZLBRHBKF-UHFFFAOYSA-N 299.414 3.640 30 20 CHED N#C[C@@H](NC(=O)CC/C=C\c1ccccc1)C1CCCC1 1350306273 UTHGHNJAOSLLBB-BOHLGEJMSA-N 282.387 3.679 30 20 CHED C=C(C)CCC(=O)OCc1oc(C(C)C)nc1C 1354978817 DJCRKVYQPFQZIR-UHFFFAOYSA-N 251.326 3.506 30 20 CHED CC#CCCNCc1cc(-c2ccccc2)cs1 166294309 YELDJZQHYSLNSP-UHFFFAOYSA-N 255.386 3.918 30 20 CHED Cc1cccc(Cl)c1COC(=O)c1cc(C#N)oc1C 1526479278 AXEKDQXIMBUTJO-UHFFFAOYSA-N 289.718 3.779 30 20 CHED CCc1cc(NC(=O)c2csc(C#N)c2)ccc1F 1520929653 OSZOGPIKVNVHOT-UHFFFAOYSA-N 274.320 3.574 30 20 CHED CCC(CC)NN=C1CCC[C@@H](CCCC(=O)O)C1 1609917081 HTJVIIBSTIRKKM-LBPRGKRZSA-N 268.401 3.566 30 20 CHED Cc1cc(CN2C[C@H](C)Oc3c(F)cccc32)ccc1C#N 1621262422 UOYCZDUPCBUCLW-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1cc(F)cc(C#N)c1 1626925887 WOGRMJWIHHBEHF-LLVKDONJSA-N 277.343 3.597 30 20 CHED C[C@@H]1C[C@@H]1[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)cc1 1639474631 PHKCAFQPDSSMGL-ZTFRIQLXSA-N 297.789 3.838 30 20 CHED CC(C)c1ccc(CCNc2ccnc(C#N)c2)cc1 1639143774 UQWHQFIVMGZKQC-UHFFFAOYSA-N 265.360 3.731 30 20 CHED C=CCCN(C)[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1 1588805959 VVZZZVUPLLGDOX-GFCCVEGCSA-N 288.174 3.627 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)c1cc(C)c(C#N)cn1 1651906929 OALBQECMTVKCBU-INIZCTEOSA-N 295.386 3.858 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCC1(C)CCC1 1776783107 FZHBWAINDPMELQ-AWEZNQCLSA-N 269.429 3.970 30 20 CHED CCCCCCC[C@H](C)CN=c1cc[nH]c(C(=O)O)c1 1776782428 YNUAEDXQZRUIBP-ZDUSSCGKSA-N 278.396 3.610 30 20 CHED C=CCC[C@@H](C)N1CCC(CC(C)C)(C(=O)O)CC1 1776166243 QSRPOCZMAOIEAY-CQSZACIVSA-N 267.413 3.554 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2cc(C)sc2C)C1 1776160811 LVYPFSYDZIRILJ-MRXNPFEDSA-N 293.432 3.608 30 20 CHED C[C@H](NC[C@H](O)c1ccc(C#N)cc1)C1CCCCCC1 150124628 IFWVFBKTKGJCQB-KSSFIOAISA-N 286.419 3.540 30 20 CHED C=C(Cl)CN[C@@H](C)c1cccc(OC(F)F)c1 163367215 IXHOUMTWSNPCAU-VIFPVBQESA-N 261.699 3.691 30 20 CHED N#Cc1ccc(CSc2ccncc2)c(Cl)c1 163435504 OKGCLRJERIRVGT-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C=CCOc1ccc(CNc2ccc(C#N)cc2F)cc1 168260292 FUFDYIBXUVFQFF-UHFFFAOYSA-N 282.318 3.874 30 20 CHED Cc1ccc(CN(C)C)cc1NCc1ccc(C#N)s1 151994188 FGZFKUOPAVHCKR-UHFFFAOYSA-N 285.416 3.602 30 20 CHED N#CCN(Cn1c(=S)oc2ccccc21)C1CCCC1 153382743 DZHKOYHNYZDFKV-UHFFFAOYSA-N 287.388 3.689 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCOC(C)(C)C1 153691821 DCBUCEKFDFPEEG-CQSZACIVSA-N 269.429 3.811 30 20 CHED CCCCCCCN1CCC[C@H](CNC(=O)CCC)C1 157771704 VCEONOBPHWHVQI-MRXNPFEDSA-N 282.472 3.585 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc2ccccc2c1 156912832 VBTVPSLOEYWLHK-AWEZNQCLSA-N 267.332 3.654 30 20 CHED Cc1cccc(C)c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 159346259 RNOFVZYBSMVGIZ-HNNXBMFYSA-N 298.773 3.952 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1F 208313115 FQTRNVLMZFOGSW-ALCCZGGFSA-N 281.286 3.602 30 20 CHED CCC(CC)(CNc1ccc([N+](=O)[O-])cc1C#N)SC 230920942 IYPDKEPRRIIAPH-UHFFFAOYSA-N 293.392 3.800 30 20 CHED N#CCOc1cccc(CNCc2ccc(Cl)cc2)c1 37243103 BHCCDYGFMPUFAD-UHFFFAOYSA-N 286.762 3.532 30 20 CHED C[C@H](N[C@H]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 37211361 ZDZGJPMOGNNHJI-KEYYUXOJSA-N 272.392 3.818 30 20 CHED C=C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 264116846 DPCPVPQUKJBRRL-UHFFFAOYSA-N 287.256 3.637 30 20 CHED CSc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 48381276 PMGUMMVGKJSOHD-UHFFFAOYSA-N 285.328 3.932 30 20 CHED C[C@H](NCc1ccc(F)c(F)c1)c1cccc(C#N)c1 49577539 KKCDWHREPPTZKC-NSHDSACASA-N 272.298 3.687 30 20 CHED N#CC1(C(=O)NCc2cc3ccccc3s2)CCCC1 299229161 FEIGAQURDQPLJJ-UHFFFAOYSA-N 284.384 3.601 30 20 CHED CC[C@H](C)[C@H](C)Nc1nc(C)c(C#N)cc1Cl 310183992 XYKIGTVEDZSRGA-IUCAKERBSA-N 251.761 3.762 30 20 CHED Cc1cccc(NC(=O)Nc2cccc(C#N)c2)c1C 76409045 JQPOFRFKYDOUCG-UHFFFAOYSA-N 265.316 3.819 30 20 CHED Cc1cc([C@@H](C)NCCc2cccc(C#N)c2)c(C)o1 343538309 UQXWZGJNQUVZHN-CYBMUJFWSA-N 268.360 3.661 30 20 CHED CC(C)OCCCNc1cccc(Br)c1C#N 357313577 KFXBHPFDXLWVHL-UHFFFAOYSA-N 297.196 3.548 30 20 CHED N#Cc1ccc(NCc2nccc3ccccc23)cc1 590826057 UKXACTXMMJZQDN-UHFFFAOYSA-N 259.312 3.719 30 20 CHED Cc1cc(F)cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 380060503 VCOUTYQALLBVOY-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CC(C)(C)CNCc1cnc(C(C)(C)C)s1 384909591 BMWOWAHNYPDZAV-UHFFFAOYSA-N 252.427 3.742 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CS1 397919019 KACHMWDOFNXESG-GZMMTYOYSA-N 286.322 3.883 30 20 CHED N#Cc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 3404109 VNQQWPBSRWPCIC-UHFFFAOYSA-N 289.338 3.611 30 20 CHED CC(C)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 7924314 GMYWPYVBOHDDBY-QGZVFWFLSA-N 278.355 3.685 30 20 CHED Cc1cc(C#N)cc(NC(=O)Cc2ccc(Cl)cc2)c1 308119384 CJWAUNSERBWCSS-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C=CCNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 52432164 QWLQNKWUNJLLDN-QMMMGPOBSA-N 290.215 3.776 30 20 CHED C[C@@H](CC(=O)N(C)Cc1cccc(C#N)c1)CC(C)(C)C 58003399 SXWPFIQKRGLKEK-AWEZNQCLSA-N 286.419 3.979 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccsc1 55891359 CCIQYDOOVCWNIG-UHFFFAOYSA-N 287.384 3.585 30 20 CHED CC(C)CCc1noc(CSc2ccccc2C#N)n1 172680117 VMUZGZKTPVTWLN-UHFFFAOYSA-N 287.388 3.822 30 20 CHED N#Cc1cc(NC(=O)C2(Cc3ccccc3)CC2)ccc1F 177039142 OUJXLHIWCFTGPS-UHFFFAOYSA-N 294.329 3.659 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccs1 112184276 SMHZWOVJOHZLDT-UHFFFAOYSA-N 263.406 3.957 30 20 CHED C#CCCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 172923517 RTIJMBUMNIBLMS-UHFFFAOYSA-N 289.806 3.681 30 20 CHED CCN(C(=O)CC1CCC1)[C@H](C)c1ccc(C#N)cc1 173773246 HMFZCUGPQLUSDG-CYBMUJFWSA-N 270.376 3.658 30 20 CHED CCCCO[C@@H]1C[C@H](NCC(C)(C)CCC#N)C1(C)C 176985939 DYKWZZSXOFVVIY-LSDHHAIUSA-N 280.456 3.890 30 20 CHED N#CC1(NC(=O)Cc2cccc3ccccc23)CCCCC1 60855342 ANYWSULZINQPIC-UHFFFAOYSA-N 292.382 3.725 30 20 CHED Cc1cccc(NCC(=O)Nc2ccc(C#N)cc2)c1Cl 174315143 OUDNXCRUVCBTAG-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C[C@@H](CC#N)NC(=O)c1cc2c(s1)-c1ccccc1CC2 64318403 SGDZOCHHDLWQBO-NSHDSACASA-N 296.395 3.546 30 20 CHED C#Cc1cccc(NC(=O)COc2c(C)cc(C)cc2C)c1 23359405 ZZZDZXUQRKGUDB-UHFFFAOYSA-N 293.366 3.611 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)c1ccccc1 63750855 KIFKKKXAXLYWON-IBGZPJMESA-N 294.398 3.502 30 20 CHED COCc1cccc(NC(=O)Nc2cc(C#N)ccc2C)c1 113557498 BZDOZCWFNOHNDQ-UHFFFAOYSA-N 295.342 3.657 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC(F)(F)C1 312129968 OLDIYASISOGTCG-GFCCVEGCSA-N 278.302 3.631 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1C1CCCCC1 116973997 PBHSEFPYDYPXCX-UKRRQHHQSA-N 264.413 3.705 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2[N+](=O)[O-])ccc1F 301703775 REXBYPHEUQXSAW-UHFFFAOYSA-N 272.235 3.706 30 20 CHED N#Cc1ccc(OCCN2CCC[C@H]2c2cccs2)cc1 66562907 CSZYJOOPZNHBGX-INIZCTEOSA-N 298.411 3.836 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 409974058 NNWYXHYDYSTXLX-NSHDSACASA-N 285.309 3.843 30 20 CHED C=CCCCOC(=O)[C@H](C)Oc1ccc(SC)cc1 303856587 LPIMQQSRMIBNPZ-LBPRGKRZSA-N 280.389 3.685 30 20 CHED CCS[C@@H]1CCCCN(CCCC(C)(C)C#N)C1 174858360 NZGSHYZQVUMVJT-CQSZACIVSA-N 268.470 3.924 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC=CCC1 121356974 XNGWQCRMETYKEN-QGZVFWFLSA-N 269.388 3.600 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(F)cc2C#N)C1 408402482 IJZSMNPPHOQJOF-RYUDHWBXSA-N 289.354 3.740 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H](C)c1ccccc1 127091655 WZMWLJSOVCXPMX-AWEZNQCLSA-N 279.339 3.714 30 20 CHED C=CC1CCN(C(=O)c2ccc(F)c(Cl)c2F)CC1 185942979 VVOBWDNGAXJNCN-UHFFFAOYSA-N 285.721 3.656 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@H](C)CC 302992821 JPBOIGSNSXBOBY-CABCVRRESA-N 274.408 3.819 30 20 CHED CSCC[C@@H](C)NCc1cccc(OCCCC#N)c1 76771714 VPQAEUAWNHESFX-CQSZACIVSA-N 292.448 3.600 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccc(F)cc2C#N)n1 77564704 JQAXAHDLHHMDPI-UHFFFAOYSA-N 297.358 3.873 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccco1)Cc1cccs1 121329471 SSNQAPNFYNWBMI-CQSZACIVSA-N 291.416 3.670 30 20 CHED C=CCC[C@@H](C(=O)N(C)CCC1CC1)c1ccccc1 188741414 SWTPFBDYDZWLLN-QGZVFWFLSA-N 271.404 3.995 30 20 CHED Cc1csc([C@H](C#N)C(=O)Cc2cccc(Cl)c2)n1 70031165 KMXCFFDMGZCGMV-GFCCVEGCSA-N 290.775 3.524 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(F)c(F)c1 120117643 WLTRDERUPBTNLZ-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C[C@H](CCc1ccco1)Nc1c(C#N)nnc2ccccc12 316084404 QSXRNBVNYIPDQL-GFCCVEGCSA-N 292.342 3.528 30 20 CHED N#CC1(CCSC[C@H]2CCCO2)CCCCC1 413003672 IMPAVVSBXQALGY-CYBMUJFWSA-N 253.411 3.763 30 20 CHED C=CCCC(=O)Nc1ccccc1SCCC#N 78568418 TXNQOPGGEFYPJO-UHFFFAOYSA-N 260.362 3.597 30 20 CHED C=CCCCNc1ccc(S(=O)(=O)C2CCCC2)cc1 77245178 AQWOHPBXUJQUNO-UHFFFAOYSA-N 293.432 3.781 30 20 CHED C=CCC[C@@H](NCC[C@@](C)(O)c1ccccc1)C1CC1 187918865 UDOBWMBAFLQDHL-QZTJIDSGSA-N 273.420 3.619 30 20 CHED CCN(CC#N)[C@H](C)c1cc(Cl)ccc1Cl 411213739 NPPYLVZKCSFVPD-SECBINFHSA-N 257.164 3.900 30 20 CHED COc1cccc2c(NCC3(C#N)CCC3)cc(C)nc12 419025361 SCSQNHUMOHNZSE-UHFFFAOYSA-N 281.359 3.658 30 20 CHED C=CCC[C@H](N[C@H](C)c1ccn(C)n1)c1ccccc1 414090546 KQFDNFRNOOTXMU-PBHICJAKSA-N 269.392 3.778 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccc(OC(C)(C)C)cc1 120553488 BYGNATABXFYDGW-GFCCVEGCSA-N 289.379 3.630 30 20 CHED CN(C(=O)c1coc2ccccc12)c1ccc(C#N)cc1 70392105 LLBZIQCCVLRBBC-UHFFFAOYSA-N 276.295 3.581 30 20 CHED CCN(C(=O)c1ccc(C#N)c(C)n1)c1cc(C)cc(C)c1 78436446 IIVDAUUSRHFIME-UHFFFAOYSA-N 293.370 3.545 30 20 CHED Cc1ccc(CCNc2ccc(F)cc2OCC#N)cc1 180614306 UHIDULFEAKLABF-UHFFFAOYSA-N 284.334 3.691 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(SC(C)C)cc1 183870638 XHRBJGYRRSOYGO-CYBMUJFWSA-N 276.405 3.609 30 20 CHED CC[C@H](C#N)Sc1nnc(C2CC2)n1Cc1ccccc1 127141474 GPRANBIABDAJCI-CQSZACIVSA-N 298.415 3.598 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 414097427 IZMSZVSRAUKDGS-YSVLISHTSA-N 293.838 3.750 30 20 CHED N#CC1(CC[S@](=O)c2ccccc2)CCCCC1 414230441 OAFZONOVPLDGOA-SFHVURJKSA-N 261.390 3.658 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC(C)(C)c2c(Cl)cccc21 509841117 VEGKJXFDAFKBQA-INIZCTEOSA-N 290.794 3.904 30 20 CHED C[C@H](C#N)CN(C)Cc1cccc(OC2CCCC2)c1 509818036 FFNVBPIPSLSECE-CQSZACIVSA-N 272.392 3.599 30 20 CHED CCOc1ccc(NC(=O)C2(C#N)CCCCC2)c(F)c1 412912540 QVDOMHDZAUHHQR-UHFFFAOYSA-N 290.338 3.637 30 20 CHED C=C(C)[C@@H](N[C@@H](C)[C@@H]1CCOC1)c1ccc(F)c(F)c1 186450798 YRMXJAVWXVCBMV-NORZTCDRSA-N 281.346 3.597 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)c1cccc(F)c1 509078865 CTAQBZGTUMZQKT-UHFFFAOYSA-N 282.318 3.673 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)c1ccc(C2CC2)cc1 416063330 OBTQLSHCGPJXJV-KGLIPLIRSA-N 287.403 3.722 30 20 CHED CCC[C@@H](OC)C(=O)Nc1scc(C(C)(C)C)c1C#N 410933749 ZNBUXHBOTLRXNL-GFCCVEGCSA-N 294.420 3.671 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1F 130786398 PCXTUNWBSVEURR-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C[C@@H](c1ccco1)N(C)Cc1ccc(O[C@H](C)C#N)cc1 131067290 GAYRNMHJIFQQPX-KGLIPLIRSA-N 284.359 3.763 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412257247 PZWMYKZRXVNPCR-YESZJQIVSA-N 296.414 3.556 30 20 CHED CCN(Cc1ccc(F)c(Br)c1)C[C@H](C)C#N 42324076 LMLRXNRIMSDQAY-SNVBAGLBSA-N 299.187 3.570 30 20 CHED C[C@]1(NC(O)=Nc2cccc3ccsc23)CCCOC1 329153740 UJHQDLAKYVFUMC-HNNXBMFYSA-N 290.388 3.606 30 20 CHED CC1(C)CC[C@H](/C(O)=N/[C@H]2CCO[C@@H]2c2cccnc2)C1 328967795 NOZXMRZDCRYPAT-AEGPPILISA-N 288.391 3.694 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(OCc2ccccc2)c1 380907902 ILBKYYRUODLMAB-HNNXBMFYSA-N 294.354 3.754 30 20 CHED C=CCn1c(C)nnc1N1CC(C)(C)C[C@H]1c1ccccc1 424114970 SUTZTZCXYZSTOZ-INIZCTEOSA-N 296.418 3.750 30 20 CHED CC[C@H](C)CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 422217659 WZHMTWHPYCJYFR-AWEZNQCLSA-N 287.407 3.524 30 20 CHED C#CCCCC(=O)NCc1ccccc1OCCC(C)C 192102444 AALKZFKVBKUOLM-UHFFFAOYSA-N 287.403 3.531 30 20 CHED CC[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)C(C)(C)C 517948869 OZTUFXSBKOFZGY-CYBMUJFWSA-N 261.325 3.703 30 20 CHED C[C@@H]1CCC[C@@H](/N=C(/O)c2snnc2C2CC2)CC1 329590898 TYQNKSUKRFVRDD-MWLCHTKSSA-N 279.409 3.689 30 20 CHED Cc1cnc([C@H](C)Nc2c(F)cc(C#N)cc2F)s1 134930470 PKIGARPQMNYIIW-QMMMGPOBSA-N 279.315 3.775 30 20 CHED CN(CCC(C)(C)C#N)Cc1ccccc1Cl 87595227 JTCQDBLXGNRJBG-UHFFFAOYSA-N 250.773 3.712 30 20 CHED C=CCC1(C(=O)Nc2cc(F)ccc2OC)CCC1 191941325 ZEIYAWVHAPDLSL-UHFFFAOYSA-N 263.312 3.519 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(C#N)c2C)CC1 421553841 FJLZLDWGTHEYBW-HDJSIYSDSA-N 295.386 3.893 30 20 CHED C=C(C)CN1CCC(NCc2sccc2Cl)CC1 193092866 NSAMPXJTFAICIN-UHFFFAOYSA-N 284.856 3.532 30 20 CHED Cc1ccc(-c2cccc(CNCCC#N)c2)cc1 425976154 DXERZBYONBPFKO-UHFFFAOYSA-N 250.345 3.665 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 336219823 YYTFWSRLIQHYQP-GYMHETDLSA-N 278.440 3.642 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccoc1Cl 192287778 UWDHFZTXXRYGHC-UHFFFAOYSA-N 291.738 3.613 30 20 CHED CN(C(=O)[C@H]1CCCC(C)(C)C1)c1ccc(C#N)cc1 534472696 INUWQPWIPPWWMN-AWEZNQCLSA-N 270.376 3.737 30 20 CHED Cn1ccc2cccc(NCc3cc(C#N)cs3)c21 190905605 QRVANBCEYWTZJT-UHFFFAOYSA-N 267.357 3.724 30 20 CHED Cc1ccc(-c2nc(CN[C@@H]3CC[C@H](C#N)C3)cs2)cc1 424204237 UZGFJMRRUDGRGU-DZGCQCFKSA-N 297.427 3.900 30 20 CHED CCCOc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 424336659 YCFQQZFBSCQOEN-IJEWVQPXSA-N 272.392 3.818 30 20 CHED Cc1nsc(NC[C@@]2(C)C[C@@H]2c2ccccc2)c1C#N 338738579 HCPODGNDUGKXSO-GDBMZVCRSA-N 283.400 3.929 30 20 CHED Cc1ccc(/C=C2/COc3c(F)cc(F)cc3C2=O)cc1 195651274 UWDRKWABQGYKPX-SDQBBNPISA-N 286.277 3.932 30 20 CHED CC1=C(C)CN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 335831167 WCKJWEBOWHGDQY-UHFFFAOYSA-N 289.766 3.786 30 20 CHED CC(C)CCn1ncc(N/C(O)=N/C(C)C)c1C(C)C 331101366 GAEFQABNCRTIAF-UHFFFAOYSA-N 280.416 3.787 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H](C)OCCCC 145220254 QJTIKYOGJJVVRP-AWEZNQCLSA-N 293.382 3.546 30 20 CHED CCCC[C@@H](C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425105210 DRNZBFRCTXIPGF-KGLIPLIRSA-N 272.392 3.904 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 424838355 QCPBPNUINISRTB-JOCQHMNTSA-N 275.367 3.790 30 20 CHED C#CCCOc1ccc(CNCCc2cccc(F)c2)cc1 237788668 BXNCCSPHJWZVDD-UHFFFAOYSA-N 297.373 3.560 30 20 CHED Cc1cc([C@@H](C)N/C(O)=N/CC2CCSCC2)c(C)o1 330552764 DDWNJALMXHPCCM-LLVKDONJSA-N 296.436 3.604 30 20 CHED OC(=Nc1cccc2ccc(O)cc12)[C@@H]1CCCOCC1 330222836 MUNGICIGWJXYMA-CYBMUJFWSA-N 285.343 3.950 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cc(Cl)cc(Cl)c1 334333255 TUEBKRIGQUGZBK-UHFFFAOYSA-N 285.174 3.615 30 20 CHED Cc1cc2c(N(C)Cc3ccc(C#N)cc3)ncnc2s1 90070437 JUZCIYWDMPXMGY-UHFFFAOYSA-N 294.383 3.508 30 20 CHED Cc1ccsc1CNC(=O)Nc1cccc(C#N)c1C 432276694 ZMXGRTWRKDNKHX-UHFFFAOYSA-N 285.372 3.558 30 20 CHED C[C@@H](N[C@H]1CCCc2cccnc21)c1ccc(C#N)cc1 91660746 NTCPQBVKWHDRJH-DYVFJYSZSA-N 277.371 3.681 30 20 CHED CC1(C)CCC[C@@H](c2noc(-c3cc(C#N)c[nH]3)n2)C1 339801701 SDODDOLAWYYYRR-LLVKDONJSA-N 270.336 3.620 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1=CCCCC1 527107222 PLXZOTRTJVGZKW-QZTJIDSGSA-N 294.398 3.785 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCC[C@@H](C)C1 432304131 VLDYWGPSERHHAB-TZMCWYRMSA-N 285.391 3.815 30 20 CHED C=CCCCCCN(C)C(=O)NCCC(C)(C)C 523565403 ZQQZFVGVWFDTAJ-UHFFFAOYSA-N 254.418 3.810 30 20 CHED CCCCn1c(O)nnc1SCCCCC(C)(C)C#N 436130784 OFCZRELQXQFSSK-UHFFFAOYSA-N 296.440 3.596 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)Cc1cc(Cl)cc(Cl)c1 528798125 KQLMLEFVJUFEJL-GFCCVEGCSA-N 299.201 3.590 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1c(F)ccc(OCC)c1F 439461833 MMEGZOUJNXAHQU-SNVBAGLBSA-N 298.333 3.840 30 20 CHED CC#CCN[C@H](C)c1ccc(-c2csc(C)n2)cc1 341607664 WFUAAXLFAAGPJZ-GFCCVEGCSA-N 270.401 3.792 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1cncc(F)c1 439610783 GNLJIOKWPOOYOP-UHFFFAOYSA-N 299.349 3.831 30 20 CHED C=CCCOCCCCC(=O)N(C)c1c(F)cccc1F 344441223 WJYRAGSDNIHNKS-UHFFFAOYSA-N 297.345 3.691 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](C)c1cc2ccccc2o1 246004326 JOGVDOYEGYSYQM-HIFRSBDPSA-N 273.376 3.753 30 20 CHED CCCN(CC#N)C(=O)[C@@H](C)Sc1ccccc1Cl 346480820 HYEWPDSNNNZGAR-LLVKDONJSA-N 296.823 3.583 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 603996067 FMRSKGSWYVNGGU-JQWIXIFHSA-N 288.416 3.873 30 20 CHED CCOc1ccc(C(C)=O)cc1CSCC1(C#N)CC1 344482517 KHYWURYUIUOCLS-UHFFFAOYSA-N 289.400 3.825 30 20 CHED Cc1ccc(NC(=O)N2CCC(F)(C#N)CC2)c(Cl)c1 348170170 RGHHXADIVDWLLD-UHFFFAOYSA-N 295.745 3.508 30 20 CHED Cc1ccc([C@@H]2CSCCN2CC2(CC#N)CC2)cc1 602776752 AWAGGZKHCPTSDZ-INIZCTEOSA-N 286.444 3.779 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(CC#N)c1 246097414 AYZJTTRIJVTDSW-UKPHBRMFSA-N 282.387 3.546 30 20 CHED N#Cc1ccc(F)c(-c2cccc(CO[C@H]3CCOC3)c2)c1 602421992 RPDWSMBPNMTATR-INIZCTEOSA-N 297.329 3.670 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N(CCC#N)CC(F)(F)F 347583767 FFASFUQPVZJQHW-LLVKDONJSA-N 292.345 3.753 30 20 CHED O=C(/C=C\c1cccc(Cl)c1)c1cc(O)cc(O)c1 255297209 HWPVGNYAHOBWII-PLNGDYQASA-N 274.703 3.647 30 20 CHED CO[C@@H](c1ccccc1)[C@H](C)NCC(C)(C)CCC#N 348209219 XCMCYEXQQXYAEV-GOEBONIOSA-N 274.408 3.682 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 609566617 SZIRSOFKQPYCJM-CQSZACIVSA-N 296.345 3.905 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(CCC#N)Cc1ccco1 522191727 WWLYHXJKNJLXDB-HUUCEWRRSA-N 288.391 3.738 30 20 CHED N#Cc1cnccc1/C=C\c1csc(Br)c1 347440560 KJYLFFWBABUZKE-UPHRSURJSA-N 291.173 3.948 30 20 CHED CC[C@@H](NC[C@@H](C)CCC#N)c1ccc(OC)c(OC)c1 602661781 LRWWNVVSMOWJRV-DZGCQCFKSA-N 290.407 3.684 30 20 CHED COc1cc(CNc2cccc3ncccc23)ccc1C#N 440625581 PCANQJHSSXVBCC-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CCN(CCc1cccs1)C[C@@H](C)CCC#N 602448177 NJMNTEFZZDXQAY-ZDUSSCGKSA-N 250.411 3.552 30 20 CHED CCC1(CN[C@H](C)CC2(C#N)CCOCC2)CCCC1 602569693 RKBWLWWITJMJQZ-OAHLLOKOSA-N 278.440 3.645 30 20 CHED CCNC(=O)c1ccc(C)c(NC2CCC(C)(C#N)CC2)c1 449046955 ONMLFPYBEFIEQV-UHFFFAOYSA-N 299.418 3.629 30 20 CHED COC[C@H](NCC(C)(C)CCC#N)c1cccc(Cl)c1 353623126 FKUJXZNQEDYSFM-HNNXBMFYSA-N 294.826 3.947 30 20 CHED Cc1cc(NC(=O)Cc2ccc(C#N)cc2)ccc1C1CC1 355892662 KLPLOSONFQBIKJ-UHFFFAOYSA-N 290.366 3.925 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccc(F)cc2F)CC1 354113989 BMIUADFTLXXCDZ-UHFFFAOYSA-N 279.330 3.670 30 20 CHED C=CC[C@H](C)NC(=O)NCCc1ccc2ccccc2c1 604900853 RMLNKVATNWKNEW-AWEZNQCLSA-N 282.387 3.646 30 20 CHED CCCn1ccc2ccc(NC(=O)C3(C#N)CCC3)cc21 266441570 AOJMKNDIGCMMEV-UHFFFAOYSA-N 281.359 3.684 30 20 CHED C=CCCC1(C(=O)NCc2cccc3cccnc23)CC1 355319646 RCHPIFGNMGZIKH-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C=CC[C@@H]1N(Cc2cnccc2C)CCCC1(C)C 355140165 XPFZDCAFGKEETR-INIZCTEOSA-N 258.409 3.957 30 20 CHED CCCC[C@@H](COC)N[C@H](CC)c1ccc(C#N)cc1 447538221 BCAJIPSTRPKBAF-DLBZAZTESA-N 274.408 3.804 30 20 CHED COc1ccc([C@H](C)N(C)CC#Cc2ccc(F)cc2)cc1 448198260 QVIQQFNPXGCRRV-HNNXBMFYSA-N 297.373 3.879 30 20 CHED N#Cc1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1F 353550158 QSFLZVDVHBPKLP-UHFFFAOYSA-N 295.317 3.508 30 20 CHED C=CCOCC(=O)Nc1ccc(Oc2ccccc2)cc1 354255407 RVKWYRJNDKCENA-UHFFFAOYSA-N 283.327 3.620 30 20 CHED N#CC1(c2nc(-c3c(Cl)cccc3Cl)no2)CCC1 267092178 MXLDIHBPFZIBTO-UHFFFAOYSA-N 294.141 3.989 30 20 CHED CC(C)(C#N)CCN(CCC(F)(F)F)CC1CC1 538488281 XWPZJJKENWULTA-UHFFFAOYSA-N 262.319 3.591 30 20 CHED CCN(C(=O)Cc1ccc(C)c(C)c1)c1ccc(C#N)cc1 533115179 BCMSUBLIRZJALF-UHFFFAOYSA-N 292.382 3.771 30 20 CHED CCN(Cc1cc(C)ccn1)[C@H](C)c1ccc(C#N)cc1 616749012 CEVXGCUXBOEKJP-OAHLLOKOSA-N 279.387 3.845 30 20 CHED Cc1ccccc1O[C@@H](C)CNCc1ccc(C#N)cc1F 533308846 CDVRJBIMAYWGKO-AWEZNQCLSA-N 298.361 3.563 30 20 CHED CC[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1Br 612462173 BAAXCEIFOZZKAR-WDEREUQCSA-N 295.224 3.845 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(SC)c(Cl)c1 267480795 SDFXSCGCRRWWQK-UHFFFAOYSA-N 297.811 3.829 30 20 CHED COc1ccc(CNc2ncc(C#N)cc2Cl)c(C)c1 531961407 JAKYQOOBYKKKLM-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 617783056 SCDFRISHAZFKPY-CQSZACIVSA-N 251.414 3.873 30 20 CHED C[C@@]1(C#N)CCCN(c2ccnc3cc(F)ccc23)C1 612107869 USXPBTPSKNWZNU-INIZCTEOSA-N 269.323 3.504 30 20 CHED C=CCn1c(C2CCC2)nnc1N(CC)C[C@@H](C)CC 351115212 LYQSGSHNVFSKSR-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3ccccc3n2C)C1 617785996 RERALLXAUZNCKM-CQSZACIVSA-N 282.387 3.607 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H]2CCC[C@@H]21 358804597 JPDJSFUGRYIGPE-ZFWWWQNUSA-N 286.423 3.501 30 20 CHED CCC[C@@H](C)CC(=O)NCc1ccc(C#N)c(Cl)c1 619765923 KYQDUWCVRPVMNH-LLVKDONJSA-N 278.783 3.654 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(-n2nc(C)cc2C)c1 454477831 DDNOOELLNYFFNG-UHFFFAOYSA-N 298.390 3.577 30 20 CHED CC(C)CCCCC(=O)Nc1ccc(CC#N)cc1 457402307 NKCGLDGVFLNOEZ-UHFFFAOYSA-N 258.365 3.908 30 20 CHED Cc1nc(N[C@H](CO)CCC(C)(C)C)c(Cl)cc1C#N 360074978 SJUKANUILYOQFL-LBPRGKRZSA-N 295.814 3.514 30 20 CHED C=CCn1cccc1C(=O)N1CC2(CCCC2)[C@H]1C(C)C 457151000 VGMMOANGZDFHRF-MRXNPFEDSA-N 286.419 3.715 30 20 CHED Cc1cc(NCC(C)(C)C#N)c2cccc(F)c2n1 611617919 QQZAHLIOIYGBOC-UHFFFAOYSA-N 257.312 3.644 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccn(C(C)C)c2C)C1 617779244 XOSNBISFUAMJFL-OAHLLOKOSA-N 274.408 3.806 30 20 CHED CC(C)[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)[C@@H]1C(C)C 454339484 DKZWQWFCYVQOSC-DLBZAZTESA-N 299.418 3.897 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cc(F)cc(F)c1OC 537528030 BCULAMCUENGCDV-VHSXEESVSA-N 255.308 3.986 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 450097851 RDVVZSORQKZSQG-FVQBIDKESA-N 257.377 3.651 30 20 CHED CN(CC1(C#N)CC1)[C@H]1CCC[C@H]1c1ccccc1 459696198 JVOKQBFHSMMTLQ-HOTGVXAUSA-N 254.377 3.558 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)CC(F)(F)F 451249988 QOZZVMGFBQFKOY-MNOVXSKESA-N 263.303 3.532 30 20 CHED C[C@@H](C#N)CN(C)Cc1c(Cl)oc2ccccc12 271119152 GWHQNABTNHTHSM-JTQLQIEISA-N 262.740 3.678 30 20 CHED C#CCCCCC(=O)Oc1ccc(C(=O)CC)cc1F 271524760 RBUGBLUUCAZUOK-UHFFFAOYSA-N 276.307 3.517 30 20 CHED C=CCN(C(=O)N[C@H](C)CCC(C)(C)C)C1CC1 540110862 LPZVYBSSSFUARP-GFCCVEGCSA-N 252.402 3.561 30 20 CHED C=CC(C)(C)CN[C@@H]1CCCOc2ccc(OC)cc21 453303863 DKDBTDSZPYPZIQ-OAHLLOKOSA-N 275.392 3.711 30 20 CHED Cc1ccnc(N2CCC[C@H]2Cc2ccc(F)cc2)c1C#N 541274385 UDLFHSOUKOYJGZ-INIZCTEOSA-N 295.361 3.612 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](COc2ccccc2)C1 275990184 MTDLSZLXLPLDMU-QAPCUYQASA-N 287.403 3.516 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@H](c1ccccc1)N(C)C 620857340 XYFHDCGKOAQJHW-INIZCTEOSA-N 288.435 3.540 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 456103077 DOQVBHFQCYLBPU-QGZVFWFLSA-N 299.374 3.614 30 20 CHED CC(C)(C#N)CC(=O)Oc1cc(Cl)cc(Cl)c1 278565578 QDINXYFAEZHBRB-UHFFFAOYSA-N 272.131 3.839 30 20 CHED CCc1cnc(NC(=O)c2ccc(C(C)(C)C#N)cc2)s1 279991050 CQWDHKITZIJCBB-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 623857680 UGNUXRTYXIQCIT-AVGNSLFASA-N 288.382 3.664 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ncc(C(F)(F)F)s1 277369137 ZYEUMSJIAJMTSU-SSDOTTSWSA-N 278.299 3.703 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@@H](C)c1cccc(C)c1 543115780 WCEFOSVFUSHCIG-GDBMZVCRSA-N 274.408 3.752 30 20 CHED CC#CCN[C@@H](c1ccccc1)c1cccc(F)c1 540618612 XALBJHLGYSCUGE-KRWDZBQOSA-N 253.320 3.528 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1ccc(F)cc1)C1CC1 466378424 MNKVDARGWSLYAS-HNNXBMFYSA-N 290.382 3.854 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 465113115 XLEFJICXZZEZTD-ZLIFDBKOSA-N 265.356 3.634 30 20 CHED C=CCC1(NCCCCn2ccnc2C)CCCCC1 625935101 MTFIBYWOIZAFKV-UHFFFAOYSA-N 275.440 3.840 30 20 CHED CC[C@@](C)(C#N)c1nc(C2(c3cccc(C)c3)CC2)no1 289990508 BSEUZMJESDSDRS-INIZCTEOSA-N 281.359 3.649 30 20 CHED Cc1nc2cc(C(=O)N(CCC#N)CC(C)(C)C)ccc2o1 280375705 JQOVDWMZHDVAOF-UHFFFAOYSA-N 299.374 3.538 30 20 CHED C=CCN(CC=C)C(=O)CCc1c[nH]c2cc(C)ccc12 465052771 MMSXQNDUZGOMIT-UHFFFAOYSA-N 282.387 3.610 30 20 CHED CC#CCCCC(=O)Nc1nc(C(C)(C)C)cs1 464570770 QNEAPMVFHZKTNV-UHFFFAOYSA-N 264.394 3.573 30 20 CHED C=CCOc1cccc(NC(=O)N2[C@H]3C=CC[C@H]2CC3)c1 371291883 AEZVSRWMRHWVJL-GJZGRUSLSA-N 284.359 3.576 30 20 CHED CC#CCCCC(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 466433909 LODSOFMGIWHXJW-CABCVRRESA-N 263.425 3.901 30 20 CHED C=CC[C@@H](CC)NC(=O)N1c2ccccc2C[C@@H]1C 466377269 CUTNLVFRVXBQGJ-GXTWGEPZSA-N 258.365 3.502 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2C[C@H]2c2cccnc2)CCCC1(C)C 375260087 JCYSETCIPYYLSJ-GVDBMIGSSA-N 298.430 3.778 30 20 CHED C=CCC(C)(C)c1noc(C2(OC)CCCCC2)n1 551492498 RHCXPKYILRCOTQ-UHFFFAOYSA-N 264.369 3.729 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(Cc2c(F)cccc2C#N)n1 558325924 LTGHLTOPAWQBQF-AAEUAGOBSA-N 299.349 3.965 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 289689828 ICHOQUDSSIVFSB-XOKHGSTOSA-N 284.403 3.509 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F 556203354 KZNKNEKRGHBLPB-MFKMUULPSA-N 279.330 3.539 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)CCCC#N 292498442 FNNSAWIHGCKDAY-UHFFFAOYSA-N 280.371 3.882 30 20 CHED CCc1ccsc1C(=O)N1CCCc2cc(C#N)ccc21 297749986 LDZXFUJHZYIDTD-UHFFFAOYSA-N 296.395 3.775 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC[C@@H]1C 476814123 KETBWMJMGQSPPI-WFASDCNBSA-N 285.391 3.815 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccccc1C(C)(C)C 806114063 GHVPLWDPZCVDLM-ZDUSSCGKSA-N 272.392 3.908 30 20 CHED C[C@H](C#N)OCCS[C@@H]1CCc2c(Cl)cccc21 802753208 XMEIPRRTHZDQOQ-QMTHXVAHSA-N 281.808 3.989 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(C)(C)[C@H]1c1ccncc1 293232292 CVHRDXXSMKBTDI-LSDHHAIUSA-N 287.407 3.529 30 20 CHED CC(C)(C)CCC(=NOCC(F)F)c1cscn1 807982711 KIDPEKSYJYATSK-UHFFFAOYSA-N 276.352 3.955 30 20 CHED C=CCN(C(=O)Nc1cccc(F)c1Cl)C(C)C 806769878 RQWUYDUZDBUDDX-UHFFFAOYSA-N 270.735 3.907 30 20 CHED C=CCCCCNC(=O)NCC(C)(C)c1cccs1 472831487 HELTZVMOKZGSNW-UHFFFAOYSA-N 280.437 3.681 30 20 CHED C=CCCCOC(=O)[C@@H](C)Cc1cncc2ccccc12 805683610 MSFQXZWBTASBQX-AWEZNQCLSA-N 283.371 3.923 30 20 CHED C=CCOCCCN1c2ccccc2SC[C@@H]1C 470764655 KBNWJBSWWYCXEE-ZDUSSCGKSA-N 263.406 3.580 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N[C@H](C)CCC(C)C 806284528 HHZHMRHLBUYFAL-MRXNPFEDSA-N 286.419 3.656 30 20 CHED C[C@H](Cc1ccccc1F)Nc1nc(Cl)c(C#N)s1 804372682 NAZHHFLWPFHWPT-MRVPVSSYSA-N 295.770 3.850 30 20 CHED C=C(Cl)CSc1nnc(SCC(=C)Cl)n1C 298376568 WZYSUXPEEDELEF-UHFFFAOYSA-N 296.248 3.504 30 20 CHED N#Cc1cccnc1NC1[C@H]2CC[C@H]1Cc1ccccc1C2 569464792 KQXZGQVJGLUBNL-HOTGVXAUSA-N 289.382 3.559 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(F)cc1SC 646552980 JXVZMMCVHNJKAC-UHFFFAOYSA-N 282.384 3.978 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cccc(OC(C)C)c1 819125471 JBJGVUKTTVAADC-UHFFFAOYSA-N 275.392 3.692 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@H](CC)C1)c1ccccc1 489679604 MUNPKBBKPOJUGS-DOTOQJQBSA-N 271.404 3.995 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cccn2C(C)C)cc1 489957802 QDFWHDASOMRNET-INIZCTEOSA-N 295.386 3.626 30 20 CHED C#CCOc1cccc(NC(=O)N(C)[C@@H](C)CCCC)c1 810183598 AXOOXAQFLLVCOI-AWEZNQCLSA-N 288.391 3.741 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H](c3ccncc3)C2)CC1 568515455 RIRCYCHWACNPBU-MRXNPFEDSA-N 284.403 3.534 30 20 CHED C#CCC(C)(C)c1nc(C2(c3cccc(C)c3)CC2)no1 810328968 JWTSPIHSPHNHHS-UHFFFAOYSA-N 280.371 3.759 30 20 CHED C=C(C)C(C)(C)C(=O)N1Cc2ccccc2[C@@H](C)C1 819016381 KIGOJMUAGCKZIP-ZDUSSCGKSA-N 257.377 3.735 30 20 CHED C=CCCCCS(=O)(=O)[C@H](C)c1ccc(F)cc1 562740633 LALUPZUGXRPXCX-GFCCVEGCSA-N 270.369 3.658 30 20 CHED c1cncc([C@H]2CCCC(=NOCCC3CC3)C2)c1 814246616 UIDMOIFQODANSR-AWEZNQCLSA-N 258.365 3.912 30 20 CHED CCCCCCCCC(=O)NCc1c(CC)noc1C 817998723 LRTHYODMYLFDGN-UHFFFAOYSA-N 280.412 3.912 30 20 CHED C#Cc1cccc(NC(=S)Nc2cc(C3CC3)ccn2)c1 811717113 YCCSEOXNCJPVNH-UHFFFAOYSA-N 293.395 3.749 30 20 CHED C=C[C@H](CC(=O)OCc1occc1C)c1ccccc1 816102885 BSRSHEQRBVEDMK-CQSZACIVSA-N 270.328 3.991 30 20 CHED CCC1(CC)CCN(C(=O)Nc2ccc(C#N)cc2)CC1 485994634 RZBDGFOAACYILW-UHFFFAOYSA-N 285.391 3.992 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1cnn(C)c1C 812232346 FFZBALWXUYWAQT-UHFFFAOYSA-N 284.407 3.996 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)CCCC#N 812481716 OIBXJJXWFFNQCB-UONOGXRCSA-N 264.413 3.649 30 20 CHED C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CCC1(F)F 574368128 CFICBSVMHBCAKD-GFCCVEGCSA-N 283.749 3.669 30 20 CHED Cc1cccc(/C=C2\Cc3ccc(C#N)cc3C2=O)c1C 811694447 QTSNJFUTRGQRRK-RQZCQDPDSA-N 273.335 3.998 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NOCC1CC1 814244740 HVBSKSGRELFVHZ-UHFFFAOYSA-N 261.218 3.605 30 20 CHED Cc1cc(C=NNc2ccccc2C(=O)O)c(C)n1C1CC1 812445468 RTUFKMZDSOKGNV-UHFFFAOYSA-N 297.358 3.584 30 20 CHED c1nc(NN=C2C[C@H]3CC[C@H]2C3)c2c3c(sc2n1)CCC3 814726185 KNVVMOGZCSKBNV-UWVGGRQHSA-N 298.415 3.768 30 20 CHED C=CCN(CCc1ccncc1C)Cc1ccccc1F 576223766 MBKJHEZWLGOHMT-UHFFFAOYSA-N 284.378 3.760 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)s1 811692856 IQGBGVYGGYSESV-GQCTYLIASA-N 282.299 3.527 30 20 CHED CC(C)c1cnc(C=NNc2cccc(F)c2)s1 814814885 DDVZRPLPJNXEFM-UHFFFAOYSA-N 263.341 3.852 30 20 CHED C=CCN(C(=O)Nc1ccc(CSC)cc1)C(C)C 727596030 ZJLBPBGAXICQNY-UHFFFAOYSA-N 278.421 3.978 30 20 CHED C=C(Cl)COC(=O)[C@@H](OC1CCCC1)c1ccccc1 727018399 VMWMJKLKWVPIPM-HNNXBMFYSA-N 294.778 3.983 30 20 CHED Cc1cc(Br)ccc1NN=Cc1ccco1 728432957 KWHUORNDQWIBTI-UHFFFAOYSA-N 279.137 3.797 30 20 CHED CN(CC(C)(C)C#N)C(=O)Cc1ccc(Cl)c(Cl)c1 497274419 DESQOYYFDHNHFD-UHFFFAOYSA-N 299.201 3.544 30 20 CHED N#CCC[C@H](C#N)CNc1cccc(OC2CCCC2)c1 574935267 LUFWILRVFVNRAD-CQSZACIVSA-N 283.375 3.863 30 20 CHED N#CC1(CC(=O)N2CCC3(CCCC3)C2)CCCCC1 829167994 QEALQIHJJJNTAZ-UHFFFAOYSA-N 274.408 3.643 30 20 CHED COc1cc(C#N)ccc1CN[C@@H](C)C1CCCCC1 571722307 TYAIBRXINJZTBV-ZDUSSCGKSA-N 272.392 3.625 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1CC(F)(F)F)C(C)C 491416658 KULRMNYASXHGLA-GFCCVEGCSA-N 298.308 3.571 30 20 CHED C=C(C)CNC(=O)Nc1cc(SC)ccc1Cl 667466250 SBEILTCQKMVWFK-UHFFFAOYSA-N 270.785 3.760 30 20 CHED C[C@]1(CNc2cccc(F)c2C#N)CC1(Cl)Cl 828791008 OCLSORCLGPDRHN-LLVKDONJSA-N 273.138 3.693 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ncc(C2CCOCC2)s1 821333502 KZCSLXSJTJZPSJ-NSHDSACASA-N 294.420 3.578 30 20 CHED Cn1ccc2c(N=Cc3ccccc3O)cccc21 726888553 AEDIXQCUTZSGDF-UHFFFAOYSA-N 250.301 3.635 30 20 CHED CC(C)C#CC(=O)NCC1(c2ccc(Cl)cc2)CCC1 825504789 HUZAHTXOCVMERJ-UHFFFAOYSA-N 289.806 3.537 30 20 CHED C=CCN(C)C(=O)COc1ccc(Oc2ccccc2)cc1 490050563 QDCZGAHSAACDGM-UHFFFAOYSA-N 297.354 3.502 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1 822836682 JKWRNGORGIHYFQ-ZOBUZTSGSA-N 282.387 3.678 30 20 CHED CC[C@@H](NCc1ccc(OC)cc1F)c1cccc(C#N)c1 902878385 ARWAFTHBPIRSIO-GOSISDBHSA-N 298.361 3.947 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC1=CCCC1 661964418 UUAPTDNOYKYVCO-UHFFFAOYSA-N 284.403 3.885 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C\C1CCOCC1 732643891 JJQIQQVOIWMZQI-HJWRWDBZSA-N 291.435 3.564 30 20 CHED C#CC[C@@H](NC(=O)N[C@@H](C1CCC1)C1CC1)c1ccccc1 836376095 IILDTXTZLUSVDS-MSOLQXFVSA-N 296.414 3.629 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2C(=O)C1(C#N)CCC1 736010677 VELZYTLAKOLPAD-UHFFFAOYSA-N 282.387 3.567 30 20 CHED C=CCC[C@H](N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1)C(=O)O 901690480 OCWSBFXICLWFKL-XUJVJEKNSA-N 295.810 3.841 30 20 CHED C=CCCC[C@@H](NCc1cc(C)cc(Cl)c1)C(=O)O 900068365 GIMYYTYYPKCFEZ-CQSZACIVSA-N 281.783 3.548 30 20 CHED C=C[C@H](CC(=O)OC[C@H](C)SC)c1ccccc1 835686697 ZAZAUIYKLLYYMM-QWHCGFSZSA-N 264.390 3.641 30 20 CHED C=CCCCN[C@@H](C)c1nc(Br)cs1 834787216 HZRDYKNZPWTHCX-QMMMGPOBSA-N 275.215 3.522 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1CCCC[C@@H]1C(=O)O 901883233 CAODFYGATZZRJA-QLFBSQMISA-N 267.413 3.744 30 20 CHED C#CCCCC(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 837067225 XRTVKZJXVMREFS-ZWKOTPCHSA-N 283.415 3.880 30 20 CHED CCc1nocc1/C=C1/COc2ccc(C)c(C)c2C1=O 834424814 CLYUIMYQIAROEQ-QPEQYQDCSA-N 283.327 3.513 30 20 CHED COc1cccc2cc(/C=C/C(=O)c3cncs3)oc12 735792246 ASWRPDRVSHFDSY-AATRIKPKSA-N 285.324 3.794 30 20 CHED C=CCC(CC=C)C(=O)OCC/C=C\Br 835799190 JFOMABNXNPAOON-UITAMQMPSA-N 273.170 3.597 30 20 CHED O=[N+]([O-])c1ccc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 916244963 IPYWMSNDDMMEFF-QZKOUSHUSA-N 285.347 3.819 30 20 CHED C=CCC1(C(=O)OCc2cc(C)sn2)CCCC1 835369117 QKOIWMFOSGOOJG-UHFFFAOYSA-N 265.378 3.631 30 20 CHED C=CCC1(C(=O)OCc2cc(Cl)ccn2)CCCC1 835129557 VNRCUZKRFRTVRY-UHFFFAOYSA-N 279.767 3.915 30 20 CHED CC(C)O[C@H](CN(C1CC1)[C@@H](C)C#N)c1ccccc1 595710957 XWEJQBWZECMVKU-WMLDXEAASA-N 272.392 3.529 30 20 CHED Fc1cccc(NN=Cc2nccc3ccccc23)c1 740761610 BWUWLMKOXZHZKP-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CC(C)(C)C#CC(=O)NCC1(c2ccccc2Cl)CC1 837507456 VUZSMMFYNYWTGH-UHFFFAOYSA-N 289.806 3.537 30 20 CHED C=C1CCN(C(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 595460280 XKMOSKUXTLQKOD-GVDBMIGSSA-N 293.451 3.642 30 20 CHED C=C[C@H](C)ON=Cc1sc2nc(C)nc(C)c2c1C 844623774 IOQBUKGECHZRQO-QMMMGPOBSA-N 275.377 3.542 30 20 CHED N#Cc1cccc(COC(=O)CC2CCCCC2)c1 845145710 YQCDZDYVSHFLSC-UHFFFAOYSA-N 257.333 3.572 30 20 CHED Cc1cc(C)c2c(c1)CC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 594515079 DWOWNVHFVVDEKU-IMJJTQAJSA-N 254.377 3.573 30 20 CHED Fc1ccc(NN=Cc2nccc3ccccc23)cc1 740760441 UHSWITQCKUHDPN-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CC(=NNC(=S)Nc1ccc(C)cc1C)C(C)C 915912285 COFRVAOXBGBWSC-UHFFFAOYSA-N 263.410 3.622 30 20 CHED CC(C)(C)C1CCN(N=Cc2cc3cnccc3o2)CC1 844593088 LXSCBSGYZYHVGH-UHFFFAOYSA-N 285.391 3.920 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1cc(C)ccc1Cl 917309038 UDRMJFIEZDOUPX-LLVKDONJSA-N 268.740 3.535 30 20 CHED C=CCC1(NC(=O)c2cc(C#N)ccc2Cl)CCCC1 598296017 MCTQYNBSVSJUCF-UHFFFAOYSA-N 288.778 3.830 30 20 CHED CCC[C@@H](C(=O)NCC(C)(C)C#N)c1cccc(Cl)c1 599745381 SPYUQMQPQUYKIS-CQSZACIVSA-N 292.810 3.890 30 20 CHED Fc1ccc(CNN=Cc2cc3ccccc3o2)cc1F 915975283 QPENTQRMAGVLHX-UHFFFAOYSA-N 286.281 3.835 30 20 CHED N#Cc1ccc(CCN[C@H](c2ccccc2)C2CC2)cc1 595056749 VSDZGBSNRLHIFI-LJQANCHMSA-N 276.383 3.842 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCCC1CC1 591808502 PKNJSOIIRWVRQM-CYBMUJFWSA-N 270.376 3.658 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)SCCCC 598522331 OCINBSQUTMBZBW-LBPRGKRZSA-N 257.443 3.769 30 20 CHED N#C[C@@H]1CC[C@H](NC2(c3ccccc3Cl)CC2)C1 592391739 HQUYONBWTSBPNV-NEPJUHHUSA-N 260.768 3.611 30 20 CHED CO[C@]1(C)CC(=NNc2ccc(F)cc2F)C1(C)C 746557428 DBQSLZNQZZDHDL-CQSZACIVSA-N 268.307 3.568 30 20 CHED C=CCOCC(=O)Nc1ccc(NC2CCCCC2)cc1 591168788 ITAREBUWENUKQZ-UHFFFAOYSA-N 288.391 3.572 30 20 CHED C[C@H](NC(=O)N(C)CCC(C)(C)C)c1cccc(C#N)c1 591947003 WFWYIUFNCBDKEB-ZDUSSCGKSA-N 287.407 3.697 30 20 CHED CC#CCOC(=O)c1cc2c(ccc3ccccc32)[nH]1 744453436 INUIEJPBKIFKGU-UHFFFAOYSA-N 263.296 3.501 30 20 CHED N#CCCCNC(=N)Nc1cccc(Oc2ccccc2)c1 849078700 KVYQENBUFVIZGS-UHFFFAOYSA-N 294.358 3.719 30 20 CHED C[C@@H](CNC(=O)CC1(C#N)CCCCC1)CC(F)(F)F 597775694 GRKJDHKGBNHTKX-LLVKDONJSA-N 290.329 3.555 30 20 CHED CCCCCCCCCC(=O)N1CCC([C@H](C)CO)CC1 846478784 DYUQZQUZTOMBCK-MRXNPFEDSA-N 297.483 3.994 30 20 CHED N#Cc1cccc(OC2CCN(CC3=CCCC3)CC2)c1 592067101 MDMSDTKVZSDIKS-UHFFFAOYSA-N 282.387 3.512 30 20 CHED CCCC[C@@H](SCCc1ccc(C#N)cc1)C(=O)OC 594899471 HYBKBSMRMUMUNK-OAHLLOKOSA-N 291.416 3.566 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2c(C)cccc2F)c1 743041833 DNQJXCUGJBXMGO-VXLYETTFSA-N 287.334 3.858 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)c2ccc(C)o2)c1 742633720 GOCLBECTROAXHT-CQSZACIVSA-N 281.355 3.726 30 20 CHED C=C(Cl)CNC(=N)Nc1c(CC)cccc1CC 849101419 WTKGDJZMHHAUGP-UHFFFAOYSA-N 265.788 3.500 30 20 CHED CC(=NNCC(F)F)c1ccc(SC(F)F)cc1 740617927 FWESKMNVRLJYBS-UHFFFAOYSA-N 280.290 3.580 30 20 CHED C=CCCc1ccccc1NC(=O)C1SCCCS1 841219398 BLRDFMVARTVLME-UHFFFAOYSA-N 293.457 3.940 30 20 CHED CC1(C)CCC[C@H](C(=O)Oc2cccc(OCC#N)c2)C1 841345222 DTDCFSRKYHUBJK-ZDUSSCGKSA-N 287.359 3.711 30 20 CHED C=CC[C@H](NC1CCC(F)(F)CC1)c1ccncc1 842842623 YRIZRKLRRTWGFC-AWEZNQCLSA-N 266.335 3.866 30 20 CHED CC(C)(C)c1ccc(CCC(=O)N2CCC[C@H](C#N)C2)cc1 928230310 YUICUIGXGCWWQT-MRXNPFEDSA-N 298.430 3.679 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCc2cc(F)ccc21 924843213 JSUMFNUILHCCMB-IAQYHMDHSA-N 260.356 3.731 30 20 CHED C=CC(C)(C)CCOC(=O)c1cc(C(C)=O)c(C)nc1C 851300414 SFJMLWABRVGCNM-UHFFFAOYSA-N 289.375 3.660 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cc(OC)ccn1 925026192 DMVBZAAWAJPZNF-CQSZACIVSA-N 298.386 3.506 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C/C=C\Cl 752074500 CUQNXCGLDZDKGY-KDQWWBNRSA-N 260.768 3.511 30 20 CHED CC[C@@H](C/N=C/c1ccccc1O)Oc1cccc(F)c1 753137640 JCONSMLQAZOZJX-BKQORJHRSA-N 287.334 3.808 30 20 CHED CCC(=NNc1ccc(Cl)cc1Cl)c1ccn(C)n1 758092418 XTRZKIWKAAHEOH-UHFFFAOYSA-N 297.189 3.953 30 20 CHED COc1cccc2c1CCC2=NNc1ccc(Cl)nc1 759666844 PIPUHKDIADWEDV-UHFFFAOYSA-N 287.750 3.506 30 20 CHED C#CC[C@H](NC(=O)/C=C(/C)C(C)(C)C)c1ccccc1 757594332 BQTLAWIVVFZMIC-FIPLFPIMSA-N 269.388 3.860 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)Cc1ccccc1F 920172869 LTTXQWRXSAHRDL-XHEYCZLTSA-N 287.334 3.590 30 20 CHED C=C[C@@H](CC(=O)Oc1ccc(OC)cc1)c1ccccc1 759183124 FISYHGBAZMHRSN-AWEZNQCLSA-N 282.339 3.961 30 20 CHED Clc1cccc(CNN=Cc2csc(C3CC3)n2)c1 756826553 ABAXPHQDLBVMQH-UHFFFAOYSA-N 291.807 3.798 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc2c(s1)CCC2 851213920 KXFLJCXBLDDAGG-SNVBAGLBSA-N 277.389 3.722 30 20 CHED CC(C)C#CC(=O)Nc1ccc(Cl)cc1Cl 854133229 WCSSGEMILBZOST-UHFFFAOYSA-N 256.132 3.591 30 20 CHED COc1ccc(NN=C/C=C/c2ccc(F)cc2)cc1 750946610 WZODAFSJNITWIK-KUFVIVKXSA-N 270.307 3.945 30 20 CHED CC(C)c1nc(C=NN2CCCC[C@H]2C)c2ccccn12 853379248 HHPMYVOZWAWWHZ-CQSZACIVSA-N 284.407 3.666 30 20 CHED COc1cccc(C=NOCCCc2ccccc2)c1OC 755941118 TWWBRNLYLAQIHS-UHFFFAOYSA-N 299.370 3.687 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1cn(C)c2ccccc12 851210622 SIFQUNGRHJZNPU-ZDUSSCGKSA-N 298.386 3.592 30 20 CHED C#Cc1cccc(NC(=O)NC2(CC=C)CCCC2)c1 854263135 VSRIZGUYRFTDJD-UHFFFAOYSA-N 268.360 3.678 30 20 CHED C#C[C@@H](CC)NC(=O)c1sc(-c2ccccc2C)nc1C 754371876 RXGNUBZDGKXZKF-ZDUSSCGKSA-N 298.411 3.569 30 20 CHED CCC1(Nc2snc(Cl)c2C#N)CCCC1 853657300 QMMLWCPANVDYAU-UHFFFAOYSA-N 255.774 3.803 30 20 CHED CC#CCOC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 766980459 CJRYJVXIFOHVEH-HZPDHXFCSA-N 280.408 3.709 30 20 CHED N#CCc1ccccc1C(=O)OCc1cc2ccccc2o1 767997424 OUWRJUFDOUOYJY-UHFFFAOYSA-N 291.306 3.856 30 20 CHED CC1(C)CCCC(=NNc2nncc3ccccc23)C1 767748627 IKSQPAUFJNQFBP-UHFFFAOYSA-N 268.364 3.998 30 20 CHED CC[C@@H](C)CCNC1CC(C#N)(c2ccccc2)C1 696196621 DVHHNQLDNBROTL-ODIFPOPNSA-N 256.393 3.636 30 20 CHED COc1ccc(C=NNCc2ccccc2Cl)s1 763163926 SHXCOEXFYXNGDU-UHFFFAOYSA-N 280.780 3.534 30 20 CHED C=CCC(=NOCC(F)(F)F)c1ccc(F)cc1 764834305 BPSBZCGDLVNLTP-UHFFFAOYSA-N 261.218 3.685 30 20 CHED CCCCCCCCCCNC(=O)N[C@@H]1CCO[C@H](C)C1 769719161 DTLVVOMFHIZKBV-HZPDHXFCSA-N 298.471 3.994 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)OCc1cc(F)ccc1C#N 769168957 CWKRJLTXEXYGTR-VXGBXAGGSA-N 275.323 3.567 30 20 CHED Cc1cc(Cl)ccc1C=NNc1ccc(F)cn1 767379872 UTLUIPFUKDZEFK-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C#CCCCCCc1nc(-c2cc(F)ccc2C)no1 761623039 VWPAHCHJAARHDO-UHFFFAOYSA-N 272.323 3.920 30 20 CHED C=CCC[C@H](CC)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 866546116 FNHYLTCJHBOGHX-SOUVJXGZSA-N 296.455 3.624 30 20 CHED Cc1cccc(C[C@H](C)NCc2ccc(OCC#N)cc2)c1 866294319 HEVCUHRVPGGAGH-INIZCTEOSA-N 294.398 3.618 30 20 CHED Cc1cc(C=NNCc2cccc(Cl)c2)cnc1Cl 760260599 OWUHHPPWHLYUAM-UHFFFAOYSA-N 294.185 3.821 30 20 CHED CCCC[C@@H](/N=C\c1c(O)ccc2ccccc12)C(=O)OC 761016217 VZWXOTCTDRENKK-BKAYVGFPSA-N 299.370 3.696 30 20 CHED C#CCN(Cc1cc(Cl)cc(Cl)c1OC)C1CC1 764675868 CBOANBXCMZSSNX-UHFFFAOYSA-N 284.186 3.600 30 20 CHED C=C(Cl)COC(=O)c1cnn([C@@H](C)CC)c1C1CC1 760629612 ZAOQJJMDDAWFKW-JTQLQIEISA-N 282.771 3.641 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)c(C)c2)c(F)c1 766484393 OGRLABCOBQCIQL-XBXARRHUSA-N 295.313 3.911 30 20 CHED CC[C@](C)(C#N)c1nnc([C@@H](C)Oc2ccccc2F)o1 1118367448 MYVGXDLWRWIFHX-MEBBXXQBSA-N 289.310 3.540 30 20 CHED C#C[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 877541548 PXZXLOSQFQDHFR-LSDHHAIUSA-N 277.795 3.562 30 20 CHED C[C@H](Cc1ccccc1Cl)NCC(C)(C)CC#N 1117868700 QOCKPEHKVMNHPC-GFCCVEGCSA-N 264.800 3.800 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C3=CCCCCC3)[nH]c12 774104284 QSSOYUWSXMARNU-CQSZACIVSA-N 293.370 3.938 30 20 CHED C=C(CC)COC(=O)/C=C/c1nc2ccccc2s1 773449079 DBOYNFDPOXRPIR-CMDGGOBGSA-N 273.357 3.819 30 20 CHED C#CCCCCCC(=O)N(CC)[C@@H](CC)c1ccncc1 779957050 ACXYYLXHPFKQHU-KRWDZBQOSA-N 286.419 3.965 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1OCCCOC 878380799 JHISBRWASXCLKC-UHFFFAOYSA-N 291.391 3.643 30 20 CHED C#CCCCCCc1nc(-c2c[nH]c3ccccc23)no1 771198748 YEGRZJFEQOSTMR-UHFFFAOYSA-N 279.343 3.954 30 20 CHED C[C@H](CCc1ccc(F)cc1)C(=O)[C@@H](C#N)c1ccccn1 870136148 IJJUUVBCRRENQS-CJNGLKHVSA-N 296.345 3.666 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)Cc1ccccc1CC#N 777408917 NRPSZVDUEZBJCA-YJBOKZPZSA-N 298.430 3.722 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 879852306 XNJQEFKLDXEBQR-ZWNOBZJWSA-N 279.330 3.539 30 20 CHED CC[C@@H]1CCCCC1=NNc1ccc(C(F)(F)F)nn1 779782455 JNYJZZZZYKIWHP-SECBINFHSA-N 286.301 3.864 30 20 CHED C=CC[C@@H](OC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1 778746415 WSRAAKYXAJZMGG-MRXNPFEDSA-N 282.343 3.761 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1ccc(C(F)(F)F)nn1 773211090 ZARQVGVGUATQIS-QWRGUYRKSA-N 298.312 3.886 30 20 CHED CC(=O)N(C)c1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 777581489 WDAQSQANQWUBER-ZDUSSCGKSA-N 293.370 3.714 30 20 CHED Cc1ccc(C(=O)OCc2cccc(C#N)c2F)cc1F 774893762 GGJRVKVTQWRRTO-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1cccc(N(C)C(=O)[C@@H](CC#N)c2ccccc2)c1 1125761357 QAKNFNPRHNHJMW-KRWDZBQOSA-N 278.355 3.655 30 20 CHED C/C(=C\C(=O)OCc1cccc(C#N)c1F)C(C)(C)C 774961112 PNDSXASCXLSQJH-DHZHZOJOSA-N 275.323 3.733 30 20 CHED C=CCC[C@@H](C(=O)OCC(=O)CC(C)C)c1ccccc1 778559204 LPIKCVHUDMDRPD-QGZVFWFLSA-N 288.387 3.895 30 20 CHED C=C[C@H](C(=O)N1CCC2(CC1)CC2(F)F)c1ccccc1 1123907005 NNBKLDBHBRTIFP-AWEZNQCLSA-N 291.341 3.604 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccc(Br)cc1 1123756451 BYZNFUACSPXURQ-SNVBAGLBSA-N 282.181 3.593 30 20 CHED C=CC1CCN(C(=O)Nc2nn(C(C)C)cc2Cl)CC1 889543274 XIILKPHHYKDENP-UHFFFAOYSA-N 296.802 3.547 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H](O)c1cccc2ccccc12 880671843 OIMNATCYSGACHT-KRWDZBQOSA-N 297.398 3.592 30 20 CHED C=C1CCC(C(=O)N(C)Cc2cccc(F)c2)CC1 887673891 KEGRNSWWSXADGS-UHFFFAOYSA-N 261.340 3.531 30 20 CHED C[C@H](CC(=O)OCCCC#N)c1c[nH]c2ccccc12 786479953 ZULWFWPHLPLGEN-GFCCVEGCSA-N 270.332 3.508 30 20 CHED Cc1cnc(Cl)c(NC(=O)/C=C/c2ccccc2C#N)c1 787984674 RAKDERIFCZTQPK-VOTSOKGWSA-N 297.745 3.567 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(Oc2ccccc2)nc1 787093307 ONCNREZMUUYVDX-CQSZACIVSA-N 296.326 3.723 30 20 CHED CC[C@]1(C)CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 1136968787 UKXOPQXJASTWIX-IEBWSBKVSA-N 298.430 3.798 30 20 CHED N#CCCCNC(=S)Nc1ccc(Cl)cc1Cl 783756129 IMAYIPBIRMNFDV-UHFFFAOYSA-N 288.203 3.584 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nccc2c([N+](=O)[O-])cccc12 892648757 OCSZVQQAGKZLNS-UHFFFAOYSA-N 299.330 3.684 30 20 CHED C#CCSc1ccc(COC(=O)[C@@H](CC)SC)cc1 788412074 SQLGNDYPXBJVOO-CQSZACIVSA-N 294.441 3.597 30 20 CHED CON=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 781589945 RBXRGCIPPSYNJE-UHFFFAOYSA-N 269.222 3.946 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)C[C@H](C)O)cc1 783535556 FWZOYLGAXKTHJJ-RDBSUJKOSA-N 297.826 3.628 30 20 CHED C[C@H](OC(=O)[C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 781698692 CBEWEFWPKJQVPR-SWLSCSKDSA-N 271.360 3.989 30 20 CHED Cc1cnc(C[S@@](=O)CCCCC2(C#N)CCC2)s1 899397498 RAURNGMSNGCBMB-IBGZPJMESA-N 296.461 3.564 30 20 CHED C=C1CCC(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)CC1 897798721 AKKYJWLLZMKRPO-HNNXBMFYSA-N 259.393 3.524 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2scnc2C2CC2)cc1F 782352862 WOTARLNPUGNCEA-WAYWQWQTSA-N 298.342 3.927 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1cccc(CC#N)c1 890608669 ATIXBPDNUDDFJP-SFHVURJKSA-N 290.366 3.860 30 20 CHED CCn1cc(/C=C2/Cc3cc(Cl)ccc3C2=O)c(C)n1 899360521 LGRXUAPMADZKRI-GHXNOFRVSA-N 286.762 3.687 30 20 CHED N#Cc1cc(NCC2CCC2)ccc1OC(F)(F)F 799594301 SNMPSZXKWRJSNE-UHFFFAOYSA-N 270.254 3.669 30 20 CHED CC(=NNc1nccn1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 790306271 VJLZZRNWCKIBBZ-VHSXEESVSA-N 294.811 3.727 30 20 CHED C[C@H](NN=Cc1coc(-c2ccccc2)n1)C(C)(C)C 793116511 SYLWZYFOTOHCGX-LBPRGKRZSA-N 271.364 3.700 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1cccc(C)c1)c1ccco1 796835076 KAYBBXRODONQTG-SJORKVTESA-N 285.387 3.919 30 20 CHED Cc1nc(C)c(C=NN2CCC(C(C)(C)C)CC2)s1 790180677 JTXCXRPEBBMTMD-UHFFFAOYSA-N 279.453 3.852 30 20 CHED CCCCCCCCC(=O)O[C@@H](C)c1ccnn1C 791933643 GKRWYVVOADCZCB-ZDUSSCGKSA-N 266.385 3.775 30 20 CHED CCC(=NNCCC(F)(F)F)C1CCCCC1 794545186 IBYSMOGZRBHMIV-UHFFFAOYSA-N 250.308 3.875 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1ccc(CC)cc1)C1CC1 797020617 WCSWIGDWBRPWCG-ZWKOTPCHSA-N 273.420 3.617 30 20 CHED COc1ccccc1CON=C(C)Cc1ccccc1OC 799117914 RRZVLFUEALJUPC-UHFFFAOYSA-N 299.370 3.839 30 20 CHED N#Cc1ccc(C(=O)OCc2cc(Cl)ccc2Cl)o1 796141975 LEPPYMFPGBCNFN-UHFFFAOYSA-N 296.109 3.815 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccc(OC)c1F 799874187 ABFWPBRLOGBIJT-UHFFFAOYSA-N 297.333 3.629 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C#N)s2)oc1C 799897439 PJLNIUXLIAETRX-WAYWQWQTSA-N 257.314 3.726 30 20 CHED Cc1nc2cc(C(=O)OCC3(C#N)CCCCC3)ccc2o1 796822798 FSXLMZXDWVRVQZ-UHFFFAOYSA-N 298.342 3.767 30 20 CHED C[C@H](N(C)C(=O)[C@@H](C#N)CCc1ccccc1)C(C)(C)C 1142771528 JFQMWAYAKXTOFI-GOEBONIOSA-N 286.419 3.652 30 20 CHED CC(C)[C@H]1CCCCCN1Cc1ccc(OCC#N)cc1 1307621656 PGWKQAQYEHMXTO-GOSISDBHSA-N 286.419 3.990 30 20 CHED CC(C)[C@@H](CN=c1cc[nH]c(C#N)c1)c1ccc(Cl)cc1 1163242517 PWCATZSILMFLQM-QGZVFWFLSA-N 299.805 3.880 30 20 CHED C#C[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccccc1 1326007840 YBIJGRDOQFLALD-CXAGYDPISA-N 296.370 3.631 30 20 CHED N#Cc1cc(Cl)ccc1COc1cnc(F)cc1Cl 1322039243 GNLMZAKGEYFALG-UHFFFAOYSA-N 297.116 3.978 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N1CCC[C@@](C)(C#N)C1 1323783736 RSEJUKSYYCKNKD-PBHICJAKSA-N 276.424 3.745 30 20 CHED CCCCCCCc1nnc([C@@H]2CCCCO2)o1 1326122474 CGHOGDJIYRSTAC-LBPRGKRZSA-N 252.358 3.824 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(F)cc1 1322974318 HSPXCLAKZQKQRS-UHFFFAOYSA-N 286.354 3.749 30 20 CHED CC(C)C[C@@H]1C[C@H]1c1nnc(-c2cccc(C#N)c2)o1 1327867314 WZDCIKPTOWNFPT-ZIAGYGMSSA-N 267.332 3.758 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2ccc(OCC#N)cc2)CC[C@H]1C 1325099367 FNOPLRXLIKHOFB-RDBSUJKOSA-N 286.375 3.600 30 20 CHED C=CCC[C@H](C(=O)NC/C=C\C1CC1)c1ccccc1 1324313818 YHBHGQHJJAIHIM-QWPQOLDESA-N 269.388 3.819 30 20 CHED C=CCCC[C@@H](C)NC(=O)C(C)(C)Oc1ccccc1 1320658471 QHAXBKKVSNZOLO-CQSZACIVSA-N 275.392 3.705 30 20 CHED CC[C@@H](c1ccccc1)N(CC)c1ccnc(C#N)c1 1185108085 UUFHUKZBVYEHTD-KRWDZBQOSA-N 265.360 3.931 30 20 CHED Cc1c(Cl)cnc(NC[C@H]2CC[C@H](C)C2)c1C#N 1186345088 VYDRMSCQDGNCGA-ONGXEEELSA-N 263.772 3.763 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(C)n([C@H](C)CC)n1 1336218781 RKOFGPLHJNUIMX-HIFRSBDPSA-N 289.423 3.733 30 20 CHED C=C(C)[C@H](N[C@H](C)c1ncccn1)c1ccc(F)c(F)c1 1262262420 NLIPJSYITKSBMM-ABAIWWIYSA-N 289.329 3.723 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)O[C@H](CC#N)c1ccco1 1344937885 STGSCBBLBBBFHP-MBNYWOFBSA-N 261.321 3.604 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(F)c(OC)cc1C 1528113092 FCYXFQIMFNTVHR-UHFFFAOYSA-N 265.328 3.684 30 20 CHED N#CCc1ccc(NC(=O)CCCc2ccc(F)cc2)cc1 1524861858 PSEADDNCURZFKU-UHFFFAOYSA-N 296.345 3.853 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)ccc1C)C1CCCCC1 1529180254 XBRRQXBHWCZZPF-QGZVFWFLSA-N 284.403 3.955 30 20 CHED C[C@@H]1CCN(C(=O)c2cc(C#N)ccc2F)c2ccccc21 1526751058 SSGVELCDDDRIMO-GFCCVEGCSA-N 294.329 3.851 30 20 CHED C=C(C)CCN[C@H](C(=O)O)c1cccc2ccccc12 1602761085 ULIRFMUGPRUEIW-INIZCTEOSA-N 269.344 3.521 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC(C)(C)CC(C)C 1532246437 LBRRMNJDUULMKI-UHFFFAOYSA-N 272.392 3.669 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)s1)c1cccc(F)c1 1533430340 AHJKMJQMKWIMFM-UHFFFAOYSA-N 288.347 3.814 30 20 CHED C[C@H]1CCCC[C@@H]1OCCN1CCCc2cc(C#N)ccc21 1473508056 SQJAWMICHXDXKE-KXBFYZLASA-N 298.430 3.906 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2ccc(Cl)cc2)c1 1610866485 UBCADBGUFQRXRY-UTCJRWHESA-N 276.675 3.527 30 20 CHED Cc1cc(NCC2(CC(C)C)CCC2)ncc1C#N 1559140142 ZDUZRSOISWACGF-UHFFFAOYSA-N 257.381 3.890 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cccc(F)c1C 1631705952 XEJPDIYSFPRNPY-UHFFFAOYSA-N 297.333 3.690 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1nccc(C)c1C#N)CCC2 1639670759 QQXVRJZMGYJTCG-KRWDZBQOSA-N 293.370 3.760 30 20 CHED CC[C@H](CCc1ccccc1)Nc1ncccc1C#N 1642935837 BGQOWCRURLYXAG-MRXNPFEDSA-N 265.360 3.777 30 20 CHED Cc1cc2c(NC(=O)[C@@]3(C)CCC[C@@H]3C)n[nH]c2cc1C#N 1640760898 WKTNRFGMBLFWBJ-GTNSWQLSSA-N 296.374 3.508 30 20 CHED Cc1cc(Nc2ccc(C)c(N3CCCC3)c2)ncc1C#N 1655826487 FNYRXDUGCKYFCF-UHFFFAOYSA-N 292.386 3.914 30 20 CHED CCN(CCc1ccccc1)c1nc(C)c(C#N)cc1Cl 1650639132 RGPJSZJOXBFTIY-UHFFFAOYSA-N 299.805 3.984 30 20 CHED N#Cc1cccc(Sc2[nH]cnc3nc(Cl)cc2-3)c1 1655235912 KOFJCVMUYNSERL-UHFFFAOYSA-N 286.747 3.586 30 20 CHED C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CC1(CC#N)CC1 1652931149 AHVRANSKRATVPK-CHWSQXEVSA-N 272.367 3.827 30 20 CHED C=C(CNC(=O)N1[C@H](C)CCC1(C)C)c1ccccc1 1682946311 YGRQXKPTIHZEKX-CQSZACIVSA-N 272.392 3.672 30 20 CHED Cc1cc(C)cc(NN=Cc2csc(C(=O)O)c2)c1 1776026401 XZOQRCZLQHUVPR-UHFFFAOYSA-N 274.345 3.509 30 20 CHED Cc1c(NN=C[C@@H]2CCCC[C@@H]2C)cccc1C(=O)O 1776087550 ITRDQCVOXJWDKH-AAEUAGOBSA-N 274.364 3.917 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C)c(C(=O)O)c2)ccc1O 1777418533 SQNIFNOYCLKCJF-FNORWQNLSA-N 296.322 3.603 30 20 CHED N#Cc1ccc(NCc2cccc(Br)c2)cc1 19950679 QSJKSATZQOHICG-UHFFFAOYSA-N 287.160 3.933 30 20 CHED Cc1cc(F)c(C(=O)Nc2ccc(F)cc2C#N)cc1F 150791550 OAHIKNMNGLYKTE-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C=CCN(C)C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 161792472 PIZPBFYHVYDSPS-CYBMUJFWSA-N 285.309 3.843 30 20 CHED C=CCN(C)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 161802511 HKABMOFFEHDJLU-LBPRGKRZSA-N 265.784 3.553 30 20 CHED C[C@H](CC#N)N(C)CCOc1cc(Cl)ccc1Cl 161926201 CIBIDSHCXOXHTH-SNVBAGLBSA-N 287.190 3.606 30 20 CHED CC(C)(C)C(=O)CSCc1ccc(F)c(C#N)c1 158641413 DGHMXTSKRZBYIX-UHFFFAOYSA-N 265.353 3.546 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(Cl)cc1OCC 155004196 VMYCDEMCVUEVCE-LLVKDONJSA-N 297.782 3.658 30 20 CHED CCCn1c(-c2cccc(O)c2)nc2cc(C#N)ccc21 155082010 VESLUEPIBDCULM-UHFFFAOYSA-N 277.327 3.691 30 20 CHED C=CCC[C@@H](NC(=O)/C=C/c1cccnc1)c1ccccc1 154215651 NDYJDWHKGFHORY-QFQMRYFISA-N 292.382 3.919 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 208014231 SKLXHQTZKANNNJ-YWEYNIOJSA-N 289.237 3.769 30 20 CHED C=C[C@H](C)N[C@H](C)c1cccc(Br)c1 119362663 UMGMZPBFEZDYGS-VHSXEESVSA-N 254.171 3.674 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C1 235169753 COKCTYVZFIEEBD-YPMHNXCESA-N 291.376 3.553 30 20 CHED COc1ccc(C#N)cc1CN[C@H](C)c1ccc(C)s1 130270962 GCDVNSZMGDSUSN-GFCCVEGCSA-N 286.400 3.788 30 20 CHED Cc1cc(C#N)ccc1CN(C)CCc1cccs1 165495088 VXIBZXZPNQWXDN-UHFFFAOYSA-N 270.401 3.603 30 20 CHED C[C@@H]1CSC[C@@H]1Nc1cccc(OCCCC#N)c1 294874925 QHMVFRZKPVVPAJ-DOMZBBRYSA-N 276.405 3.533 30 20 CHED CCN(Cc1ccoc1)c1ccc(C#N)c(Cl)c1 301589404 XAUVFMHYUKDWLO-UHFFFAOYSA-N 260.724 3.831 30 20 CHED C[C@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)cc1F 302032609 SOOSMCDQEIWFJT-CQSZACIVSA-N 297.377 3.630 30 20 CHED CC1(C)CC[C@@H](Nc2snc(Cl)c2C#N)C1 309804804 RUQHQYADEQPNRL-SSDOTTSWSA-N 255.774 3.659 30 20 CHED CN(CCCC(C)(C)C#N)C1CCC(F)(F)CC1 347585237 SQAMBQOCXYMYAW-UHFFFAOYSA-N 258.356 3.826 30 20 CHED C=C(C)CN(CCc1cncs1)Cc1ccccc1 411659296 OWOXZVCIXXVELL-UHFFFAOYSA-N 272.417 3.764 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 617788974 WBUXCSPUGZJWEZ-ZDUSSCGKSA-N 268.360 3.596 30 20 CHED N#CCc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cc1 343538261 TWTUZYUUKCQDLW-IRXDYDNUSA-N 254.377 3.517 30 20 CHED C=CC[C@@H](CC)NCc1csc(C(C)(C)C)n1 393760880 LENUFPYUKHYRAS-LLVKDONJSA-N 252.427 3.885 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc2c(c1)OCCCO2 395358996 ARDVPGGJBFSCRT-ZDUSSCGKSA-N 275.392 3.711 30 20 CHED CCCC(=NOCc1ccccc1)c1cccnc1 814792069 NMRJKAJBRAEPKH-UHFFFAOYSA-N 254.333 3.803 30 20 CHED N#CCc1ccc(COc2ccc(F)c(F)c2)cc1 398946449 BBYFYDFVFRYOPZ-UHFFFAOYSA-N 259.255 3.610 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)[C@H]2CCC[C@H]21 399240628 UBBYFIYOLYDWMV-SJORKVTESA-N 268.404 3.763 30 20 CHED C[C@H]1Cc2ccccc2N1Cc1ccc(C#N)cc1F 11192970 WBBDVJRANHVRHD-LBPRGKRZSA-N 266.319 3.649 30 20 CHED C[C@@H](N[C@@H]1CCc2ccccc2C1)c1ccc(C#N)cc1 35256438 FXXYXZXIZABYDN-AUUYWEPGSA-N 276.383 3.766 30 20 CHED CCc1ccc([C@@H](C)Nc2ccc(C#N)cn2)cc1 37979582 IRLDSZGZPLCHPL-GFCCVEGCSA-N 251.333 3.689 30 20 CHED Cc1cccc(CN(C)c2ccc(C#N)cc2F)c1 48871399 NPGSNNDDMGKDMQ-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(CCCC#N)C2CC2)o1 51183297 OUZUHVSCGKMECP-DOMZBBRYSA-N 258.365 3.671 30 20 CHED CCCC[C@H](CC)CNC(=O)c1sccc1C#N 52027688 KCUMDKHTBXSRKA-NSHDSACASA-N 264.394 3.566 30 20 CHED N#Cc1ccc(Cl)cc1NCCOc1ccccc1 62785441 GSYONGRHOKDGTL-UHFFFAOYSA-N 272.735 3.703 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc[nH]1 66856375 UMQKVGJISHZVCX-NSHDSACASA-N 285.372 3.661 30 20 CHED CC[C@H](Sc1nc(N)c(C#N)cc1C#N)c1ccccc1 76695621 WSQZPSIUECMETH-AWEZNQCLSA-N 294.383 3.651 30 20 CHED CCCCCN(C(=O)CCc1ccc(C#N)cc1)C(C)C 78439724 GXGFJIRPQYJOIM-UHFFFAOYSA-N 286.419 3.918 30 20 CHED COC(C)(C)CNc1c(C#N)cnc2ccc(Cl)cc12 78471793 MPHOJQXQSJTKGK-UHFFFAOYSA-N 289.766 3.597 30 20 CHED CN(CCC#N)CCSc1cc(Cl)ccc1Cl 78637604 WKNXZEDCXCGYEG-UHFFFAOYSA-N 289.231 3.931 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc(-c2csc(C)n2)c1 80348556 XAYMQFYGNUMTKA-NSHDSACASA-N 286.400 3.813 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 84590897 GMWZWWJOMAYTOV-FZKQIMNGSA-N 280.371 3.752 30 20 CHED N#C[C@H](COC(=O)c1ccc(Cl)o1)Cc1cccs1 89303086 VIGJZECAVPFWCA-SECBINFHSA-N 295.747 3.534 30 20 CHED CCOc1ccccc1[C@@H](C)NCc1cc(C#N)ccc1F 90117244 KGOXLMDPNLQOFY-CYBMUJFWSA-N 298.361 3.947 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(-c2c(F)cccc2F)o1 93090664 UFTRDNRDKSINKG-NSHDSACASA-N 290.313 3.959 30 20 CHED C=C(C)CN1CCC(NC/C(C)=C/c2ccccc2)CC1 106245221 HRAOFPWXOQIDIR-GHRIWEEISA-N 284.447 3.720 30 20 CHED COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)ccc1O 108145274 JNVORPJDIJZHJF-RIYZIHGNSA-N 280.323 3.532 30 20 CHED C[C@H]1Cc2ccccc2N(Cc2ccc(C#N)cc2F)C1 109586500 ROHXCQOWEISDEA-ZDUSSCGKSA-N 280.346 3.896 30 20 CHED CC(C)c1ccc(CCCNC(=O)C2(C#N)CCCC2)cc1 116657471 XKNSTKNVOCSKRK-UHFFFAOYSA-N 298.430 3.943 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(Oc2cccnc2)cc1 116851288 OGKHYCGKHMKHLB-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED C=CCCC(=O)Nc1cc(-c2ccccc2)ns1 118617277 ROZJZWUSQZVQBL-UHFFFAOYSA-N 258.346 3.715 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(C)nc2C)cc1 121619804 YSJJACRNTIORKP-UHFFFAOYSA-N 282.343 3.516 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(-c2nccn2C)c1 125017200 WCHMYPAPNGCUHJ-UHFFFAOYSA-N 295.386 3.794 30 20 CHED C=CCCSc1nnc(C2CC2)n1Cc1ccccc1 128627566 SMVADFCSYHRBDP-UHFFFAOYSA-N 285.416 3.872 30 20 CHED N#CC1(c2ccccc2)CC(NCCC[C@@H]2CCCCO2)C1 129700220 QQEAQHAZKAMATM-XBMUEBEBSA-N 298.430 3.549 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(Oc2ccccc2)CC1 134986071 SCHXQOSTEXOMKX-GOSISDBHSA-N 287.403 3.659 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@@H](C)CCSC)c1ccccc1 135239673 XMHHLGUMMPITLC-GJZGRUSLSA-N 291.460 3.946 30 20 CHED CC(C)(C#N)CCCn1ccc2c([N+](=O)[O-])cccc21 135504399 HOENPZODXLREJE-UHFFFAOYSA-N 271.320 3.879 30 20 CHED N#CCCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 152730199 DKPPUASXMHKOSI-CYBMUJFWSA-N 289.448 3.505 30 20 CHED N#CCC[C@H](NC(=O)c1cc(Cl)ccn1)c1ccccc1 153121739 FOMMTVRQOXZPSG-AWEZNQCLSA-N 299.761 3.510 30 20 CHED Cc1noc(C)c1CNc1ccc(C(F)(F)F)c(C#N)c1 154054230 BNDOBEALPIZAEZ-UHFFFAOYSA-N 295.264 3.794 30 20 CHED COc1ccc(SCc2ccc(C#N)cc2OC)cc1 154755968 MDRRUMHOPIGOSL-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)C(C)(C)c1ccccc1 156100928 OSWFMKMCWDOMQN-CQSZACIVSA-N 284.403 3.553 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(F)cc1C#N 173550595 OYJCXCOVUMZGPR-UHFFFAOYSA-N 287.382 3.849 30 20 CHED N#CCC1(COC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 174730444 YFIQWZGSHAENRE-QFBILLFUSA-N 295.382 3.518 30 20 CHED CC(C)(C#N)CCCN1CCO[C@@H](c2ccccc2F)C1 174843263 JHKDTWQDZZGULM-MRXNPFEDSA-N 290.382 3.529 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(OC)c2)o1 176680910 NQLDCIMNOUDJDD-VQHVLOKHSA-N 256.301 3.747 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Cl)c(Cl)cc1OC 176750153 RFLWXPLAWZENGE-MRVPVSSYSA-N 288.174 3.696 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)CC1CCCC1 178553146 NLAQFAZPSDPOFV-UHFFFAOYSA-N 271.364 3.521 30 20 CHED Cc1cc(Cl)ncc1NC(=O)/C=C/c1ccccc1C#N 178659456 BFOMAHBCERUJMB-VOTSOKGWSA-N 297.745 3.567 30 20 CHED C=CCOc1ccc(C(=O)Nc2c(C)cccc2O)cc1 179544185 APAQQUTYEIJOJP-UHFFFAOYSA-N 283.327 3.518 30 20 CHED CSc1ccc(Cl)c(C(=O)O[C@@H]2CC[C@H](C#N)C2)c1 179945581 ZRHLZFMAQDRSHR-VHSXEESVSA-N 295.791 3.911 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N 180034203 ZKVJQPBTEWIVOG-RWMBFGLXSA-N 289.379 3.534 30 20 CHED C=CCC[C@@H](NCc1nnc(C)n1CCC)c1ccccc1 180051555 YJIYCRFEAPQQQK-QGZVFWFLSA-N 298.434 3.794 30 20 CHED C=C(C)COC(=O)c1scnc1C1CCCC1 183509835 YWPRTWGRDLYAFY-UHFFFAOYSA-N 251.351 3.534 30 20 CHED N#CC1(COC(=O)c2csc3ccccc23)CCC1 183847904 CONOQMWAXDGQCM-UHFFFAOYSA-N 271.341 3.752 30 20 CHED C[C@H](NCCCSCC#N)c1nc(C(C)(C)C)cs1 184450210 NHBCUDLFEQNMDM-NSHDSACASA-N 297.493 3.738 30 20 CHED O=C(/C=C/c1ccn(-c2ccccc2)n1)c1sccc1O 184516399 UAFAMRSEIGPKRD-VOTSOKGWSA-N 296.351 3.536 30 20 CHED CC#CCCCC(=O)N(CC)[C@H](C)c1cccc(OC)c1 185227880 CANITUWUQAGTPN-OAHLLOKOSA-N 287.403 3.798 30 20 CHED CC#CCCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 185623220 BQSQYWKCMCKJMF-HOCLYGCPSA-N 287.378 3.724 30 20 CHED CCO[C@H](CCN[C@H]1CCC[C@H](C#N)C1)C1CCCC1 185851987 NNOMOHCHVKPLLL-BHYGNILZSA-N 278.440 3.644 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc2c(s1)CCC2 187172194 DSSJDJYSPURGJJ-UHFFFAOYSA-N 297.379 3.501 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2ccccc2)nn1 187994273 DYUPXMMNZWKUJW-QGZVFWFLSA-N 281.359 3.684 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 188911009 OQKLGYOOQKJEFJ-SJLPKXTDSA-N 286.419 3.692 30 20 CHED Cc1cc(O)ccc1NC(=O)Nc1cc(C#N)ccc1C 189877579 VZKIWUYBOGDAPK-UHFFFAOYSA-N 281.315 3.525 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(CC)s1 190565063 SUJMYNUJCBSJCV-AWEZNQCLSA-N 251.395 3.529 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)c(F)c2)c(C)o1 192181370 UWNKUJRIJNIURK-NSHDSACASA-N 272.323 3.758 30 20 CHED CCC(C)(C)CNCc1ccc(N(C)CCC#N)cc1 192352928 VWAUPRWCCVPUBD-UHFFFAOYSA-N 273.424 3.562 30 20 CHED N#Cc1ccsc1NC(=O)/C=C/c1ccc(Cl)s1 192768726 CUYRAWPDCGAXBR-DUXPYHPUSA-N 294.788 3.987 30 20 CHED CCCCCCCCC(=O)NC1CCN(CC2CC2)CC1 194240572 MWEDEYQRPQGUQK-UHFFFAOYSA-N 294.483 3.728 30 20 CHED N#Cc1ccc(Oc2cc(Cl)nc(C3CC3)n2)c(F)c1 218073422 MXZSDJRZPZSERG-UHFFFAOYSA-N 289.697 3.810 30 20 CHED N#Cc1sc(NCc2ccc(F)cc2F)nc1Cl 236234651 PBCPDWCIJNGWJY-UHFFFAOYSA-N 285.706 3.558 30 20 CHED C=CCC[C@H](NC(=O)C1[C@@H]2CCC[C@@H]12)c1ccccc1 246150603 DSTVVCHVYQMOQO-OAGGEKHMSA-N 269.388 3.856 30 20 CHED C=CCCC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C 247260134 FAFJBDJTROUZQC-FMKPAKJESA-N 257.377 3.746 30 20 CHED FC(F)Oc1ccccc1C=Nn1cnc2ccccc21 254752096 GXYFXTFZCGMSTP-UHFFFAOYSA-N 287.269 3.520 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1c[nH]c2ccccc12 255834630 RECPTPJMHSKNQZ-HJWRWDBZSA-N 287.322 3.712 30 20 CHED CC(C)Cc1ccc(CN(C)CC(C)(C)C#N)cc1 258988695 XEMWFHOFGVAYQY-UHFFFAOYSA-N 258.409 3.867 30 20 CHED CC(C)(NCCCSCC#N)c1ccc(Cl)cc1 266706439 IDBWJRMYRYHFTQ-UHFFFAOYSA-N 282.840 3.812 30 20 CHED N#Cc1ccc(F)cc1CSCCC(F)(F)F 268304103 ZCYSQPXVVFIKOI-UHFFFAOYSA-N 263.259 3.883 30 20 CHED Cc1cc(O)c(CNC2(c3cccc(C#N)c3)CC2)cc1C 269618342 PCFLUQNTJKNYCK-UHFFFAOYSA-N 292.382 3.660 30 20 CHED C=CCN(C(=O)Nc1ccc(Br)cc1)C1CC1 271389770 QZYSASPKCPOQJB-UHFFFAOYSA-N 295.180 3.631 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCc4cc(F)ccc43)CC2)c1 272297497 QTRUSYMSSJNMGW-SFHVURJKSA-N 292.357 3.964 30 20 CHED C=CCCN(C)[C@@H](C)c1nc(-c2ccccc2C)no1 276347970 CXQHUOLOHBVDOU-ZDUSSCGKSA-N 271.364 3.614 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccc(C)c2)CCC1 276521403 DVVPCABRCAVXPA-UHFFFAOYSA-N 257.377 3.700 30 20 CHED N#CC1(c2nc(-c3ccc(Cl)cc3Cl)no2)CCC1 278226101 RGWDEJCLKPPRTM-UHFFFAOYSA-N 294.141 3.989 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1OC(C)C 278539660 RVEPNQFFDGNTIX-UHFFFAOYSA-N 286.375 3.805 30 20 CHED CC(C)(C#N)CC(=O)Nc1ncc(Cc2ccccc2)s1 278567735 QMQCMFZBDXJRTO-UHFFFAOYSA-N 299.399 3.612 30 20 CHED C=CCC[C@H](C)Nc1ccc(F)c(N2CCOC2=O)c1 279816516 PBPIAAGMHOKCMY-NSHDSACASA-N 278.327 3.549 30 20 CHED CC(C)[C@@H](CN(CCC#N)CCC#N)c1ccccc1 280411574 WIIMWNUDAMTLET-QGZVFWFLSA-N 269.392 3.556 30 20 CHED COC(=O)Nc1cccc(NCC(C)(C)CCC#N)c1C 280638887 IEPPEYNEPRQKIJ-UHFFFAOYSA-N 289.379 3.915 30 20 CHED N#Cc1cc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)ccn1 283894501 VWYWAWVUTYZUIE-MAUKXSAKSA-N 293.370 3.533 30 20 CHED C=C(C)CCc1noc(Cc2c[nH]c3ccc(OC)cc23)n1 285148585 OOXFJOWTQYYGQT-UHFFFAOYSA-N 297.358 3.659 30 20 CHED CC[C@H](CSc1ccccc1)NC(=O)[C@](C)(C#N)CC 285784036 OIRYBNVMMWAOKJ-CJNGLKHVSA-N 290.432 3.613 30 20 CHED COc1ccc(OC(F)F)c(NCCC(C)(C)C#N)c1 288762070 SOBMFFXICSYDAE-UHFFFAOYSA-N 284.306 3.648 30 20 CHED C=CC[C@H](C)NC(=O)N1CC(C)(C)[C@H]1c1cccs1 288776762 GWGCPXGZYSVLBX-WCQYABFASA-N 278.421 3.805 30 20 CHED CC(C)(C#N)CCSCCC(=O)Nc1cccc(F)c1 289335868 DMMFTZDODVQQEA-UHFFFAOYSA-N 294.395 3.827 30 20 CHED C[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCC1(F)F 289369737 BHBKDMNAPRYYMA-NWDGAFQWSA-N 264.319 3.596 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](C)c1noc(COC(C)C)n1 291028298 YGQWBGKZCORJHM-UONOGXRCSA-N 295.427 3.780 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc2ccccc2n1 291820152 ZIOMUFLRPYNFCW-HNNXBMFYSA-N 282.387 3.638 30 20 CHED CC(C)(C)Sc1ccc(Nc2nccnc2C#N)cc1 301159930 HAXSUFNZBTWLFN-UHFFFAOYSA-N 284.388 3.982 30 20 CHED C[C@@H](CN(C)c1ccc(Cl)cc1C#N)c1nccs1 302179519 RMKHKRYUVIQDAW-JTQLQIEISA-N 291.807 3.908 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1CCC(F)(F)C1 302212401 QWXYAGNAAOHGJF-VIFPVBQESA-N 254.255 3.545 30 20 CHED N#Cc1cccc(C#N)c1Oc1cc(F)cc(F)c1 302872139 CGLLIFOBALNFSK-UHFFFAOYSA-N 256.211 3.500 30 20 CHED C[C@@H]1CCC[C@@H](N(C)c2nc(Cl)c(C#N)s2)C1 310461686 AXILBICQWCIJOB-RKDXNWHRSA-N 269.801 3.683 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc(Cl)c(Cl)c1 311130777 CGGPCBMYENSISR-UHFFFAOYSA-N 287.190 3.721 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc(C#N)c(C)n2)s1 311208595 NYHSEOWOQZZUHR-LLVKDONJSA-N 257.362 3.805 30 20 CHED CC(C)CN(C(=O)c1ccc(C#N)cc1)c1ccccc1 315594833 OTZSYVKLQHIZIS-UHFFFAOYSA-N 278.355 3.861 30 20 CHED CC1(C)CC[C@H](/C(O)=N/[C@H]2CCCc3c[nH]nc32)C1 329316066 SDUTZSJQKLQYGD-JQWIXIFHSA-N 261.369 3.570 30 20 CHED C[C@H]1C[C@@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)CC[C@H]1C 329646170 JLZNRYBPQLQGMW-VOAKCMCISA-N 266.385 3.667 30 20 CHED Cc1noc(C2CC2)c1N=C(O)C1CCSCC1 329776807 OMMSUNJWHDMVAL-UHFFFAOYSA-N 266.366 3.592 30 20 CHED Cc1csc(C(=O)Nc2ccc(C#N)cc2Cl)c1 334677500 OZJYPDFPIFTXPY-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(-c2cccs2)c1 335142864 GTCYJDIPUOZHLM-SNVBAGLBSA-N 256.330 3.513 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2cc(Cl)sc2Cl)C1 335621589 RRMSWEHCMBEQIO-VXNVDRBHSA-N 275.204 3.837 30 20 CHED CC1(C#N)CCC(Nc2cnn(C(C)(C)C)c2)CC1 336217737 LFXOFGZGCCBTSO-UHFFFAOYSA-N 260.385 3.522 30 20 CHED Cc1cscc1NC(=O)[C@H](C)c1cccc(C#N)c1 336579322 PMQRBISWDRXZHS-LLVKDONJSA-N 270.357 3.670 30 20 CHED CN(CCC#N)CCCCCc1cc(-c2ccccc2)no1 337684233 OZJBIPWSQPMLCV-UHFFFAOYSA-N 297.402 3.900 30 20 CHED C=CCOCCN[C@H](CC)c1ccccc1OC(F)F 339070524 OWLKWLOTFJRDIH-CYBMUJFWSA-N 285.334 3.531 30 20 CHED N#C[C@@H]1CC[C@@H](N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)C1 339170904 JJHSSOQRWXUHEE-LYRGGWFBSA-N 294.320 3.528 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc2ccccc2c1 339171632 SHCXZAFDVZHXBW-MRXNPFEDSA-N 266.344 3.604 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@@H]1CCCSC1 340909357 ZNCMKWGQRKTIMN-JTQLQIEISA-N 266.797 3.767 30 20 CHED COc1ccc(C)cc1[C@@H](C)Nc1cc(C#N)cc(C)n1 341351973 VFFFUOHRZDZYGC-CYBMUJFWSA-N 281.359 3.752 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc2c3c(cccc13)CC2 343207080 XGKNSIPYJBLMNR-ZDUSSCGKSA-N 292.382 3.560 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N 343919299 CCCMLJOKSBUQGO-KRWDZBQOSA-N 281.403 3.821 30 20 CHED COc1cc(C#N)ccc1CN1C[C@H](C)CCC[C@@H]1C 347226841 AUVWGPMMKKLODT-KGLIPLIRSA-N 272.392 3.577 30 20 CHED C=CC[C@H]1N(C(=O)c2ccnc(C3CC3)n2)CCCC1(C)C 347441870 LSXFJQGDSROJHB-OAHLLOKOSA-N 299.418 3.561 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C#N)ccc1Cl 349203824 VBKFRMMOQYRUJC-ABAIWWIYSA-N 290.794 3.862 30 20 CHED Cc1ncccc1CN(Cc1ccc(C#N)cc1)CC(C)C 350679941 BOVMJBAUCKUOHU-UHFFFAOYSA-N 293.414 3.920 30 20 CHED N#CC[C@H](O)CSc1ccc(-c2ccccc2)cc1 352161586 XVPQMDCKHZBMSL-HNNXBMFYSA-N 269.369 3.720 30 20 CHED C[C@@H]1CC[C@H](c2ccccc2)N(CC2(C#N)CC2)C1 352808851 ZXRNRIVYBTVDNS-GDBMZVCRSA-N 254.377 3.763 30 20 CHED C=C1CCN(Cc2cccc(-c3cccnc3)c2)CC1 353332161 XUQWUVHKXKCIEI-UHFFFAOYSA-N 264.372 3.901 30 20 CHED C=CCN(CC=C)C(=O)Nc1c2c(cc3c1CCC3)CCC2 353942395 RHVIMKURCSQNTG-UHFFFAOYSA-N 296.414 3.870 30 20 CHED N#Cc1ccncc1NCC1(c2ccc(Cl)cc2)CC1 354325994 XLRPCIAWDYLEBO-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CCc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)c(C)n1 354737897 JWRYEGIXYWKFSZ-UHFFFAOYSA-N 299.761 3.730 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)c(F)c1)C1CC1 357358827 AVWPDZYDLOCCHH-UHFFFAOYSA-N 268.719 3.661 30 20 CHED C=CCOc1ccc(C(=O)N2[C@@H](CC)CC[C@H]2C)cc1 357757189 HTYQUFLKMQTBJC-HIFRSBDPSA-N 273.376 3.655 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)C1CCC(C)(C)CC1 358822930 BPOCDJDTPKRLGA-UHFFFAOYSA-N 276.428 3.568 30 20 CHED N#Cc1cnc(Oc2ccc(F)c(F)c2)c(Cl)c1 358873951 VFVMHEYBDGPAKQ-UHFFFAOYSA-N 266.634 3.677 30 20 CHED C=C(C)CN(CC)C(=O)Cc1coc2cc(F)ccc12 359055677 NJTYHZIUZDQDKW-UHFFFAOYSA-N 275.323 3.539 30 20 CHED CSc1ccccc1CN(C)c1c(C#N)cccc1C#N 359877689 OMTLSDOJVPIWAR-UHFFFAOYSA-N 293.395 3.788 30 20 CHED C=CCN(C(=O)c1ccc(-c2ccsc2)nc1C)C1CC1 361901003 RTLWAFUYZDNUBT-UHFFFAOYSA-N 298.411 3.909 30 20 CHED Cc1ccc(CCC(=O)Nc2ccc(F)cc2C#N)s1 362021828 SLNHMRJOMKVBKJ-UHFFFAOYSA-N 288.347 3.639 30 20 CHED Cc1nc(Oc2ccc(F)cc2Cl)ccc1C#N 385628800 RWERZWAANBITPB-UHFFFAOYSA-N 262.671 3.847 30 20 CHED C=C(C)CCN[C@H](C)c1cccc(OC(F)F)c1 386765569 JJGDGPJYZUCEOG-LLVKDONJSA-N 255.308 3.905 30 20 CHED C[C@H](NC[C@@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 390917024 UUSXMMPEAACDAD-JSGCOSHPSA-N 294.345 3.675 30 20 CHED N#Cc1ccc(OCC[C@H](O)c2ccccc2)c(Cl)c1 402316498 XBVVYRJBPTZEJQ-HNNXBMFYSA-N 287.746 3.714 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@]1(C)CCC[C@@H]1C 410590804 LXOXNZGTFYDGRV-ZBEGNZNMSA-N 256.349 3.632 30 20 CHED C[C@@H]1CCCN(c2cc(C(F)(F)F)cnc2C#N)CC1 413095060 MMHAWALMSIANKZ-SNVBAGLBSA-N 283.297 3.598 30 20 CHED CC(C)c1cc(N[C@@H]2CCCc3cc(C#N)ccc32)ncn1 419019412 VDNFQUVLMOMSOO-MRXNPFEDSA-N 292.386 3.961 30 20 CHED C[C@H](CC(=O)N1CCc2c(C#N)cccc21)C(C)(C)C 421648839 BGJWWLCZAFQYPD-GFCCVEGCSA-N 270.376 3.520 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1cc(Cl)ccc1OC 424557838 JBKXGTGIJSPVMZ-UHFFFAOYSA-N 295.810 3.909 30 20 CHED C=CC1CCN(C(=O)[C@@H](CC)Cc2ccccc2C)CC1 424671021 WSHWXLGPGXTPFX-KRWDZBQOSA-N 285.431 3.988 30 20 CHED C[C@H](C#N)N(CCCF)Cc1cccc(C(F)(F)F)c1 425539750 UMJSPRXZOLWUHO-LLVKDONJSA-N 288.288 3.779 30 20 CHED N#CCCNC(=O)N[C@H](CC1CCCCC1)c1ccccc1 426429161 VVFRCUMNJACRMW-QGZVFWFLSA-N 299.418 3.911 30 20 CHED C=CCCCC(=O)NCc1ccc(C2CCC2)cc1 427216042 DDQUQQCKXAPWFW-UHFFFAOYSA-N 257.377 3.927 30 20 CHED CC#CCCN1CCC(c2ccc(F)cc2C)CC1 428712267 QBGYCMIAZBHETG-UHFFFAOYSA-N 259.368 3.727 30 20 CHED CC#CCCCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 437315006 POMGNOINQJEOGT-BXUZGUMPSA-N 293.769 3.645 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(c3ccc(F)cc3)CCC2)C1 442780648 KYZBVSNXWNNMLN-XJKSGUPXSA-N 272.367 3.529 30 20 CHED C=CCC[C@H](CCC)NCc1cccc(N2CCC2=O)c1 442818198 ZMZUTRRNCAGMQE-INIZCTEOSA-N 286.419 3.648 30 20 CHED CC(C)COc1ccccc1N[C@@H]1CC[C@H](C#N)C1 442869460 DIFRRIRLQDUMCW-UONOGXRCSA-N 258.365 3.826 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)C1 442869753 FFLBNEUMYIPQTR-QIJZBDPFSA-N 272.367 3.744 30 20 CHED N#CCCN[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 443071307 PVDGKMSSKPNYBP-GXTWGEPZSA-N 282.309 3.845 30 20 CHED C[C@H](CC#N)N(C)Cc1cnc(CCc2ccccc2)s1 449024245 ZNSPXEXLGYLGPD-CQSZACIVSA-N 299.443 3.662 30 20 CHED COc1cc(NC2CCC(C)(C#N)CC2)cc(OC)c1C 449338176 FPADEHXLCVXVBO-UHFFFAOYSA-N 288.391 3.897 30 20 CHED C=C(C)CCNCc1ccc(OC)c(OCC(=C)C)c1 449472964 GSXOKBGPTSHWIL-UHFFFAOYSA-N 275.392 3.706 30 20 CHED C=CCC[C@@H](CCC)Nc1cnn([C@@H]2CCOC2)c1C 449532263 ICBNBHQHGZUKJY-HUUCEWRRSA-N 277.412 3.700 30 20 CHED C=C(CC)CNCc1ccccc1OCc1ccncc1 449735393 UDEOBNYANYPBRA-UHFFFAOYSA-N 282.387 3.716 30 20 CHED CCc1nc(C)c([C@H](C)N(C)CC2(C#N)CCC2)s1 450434410 MSVWYANJMFVOCJ-LBPRGKRZSA-N 277.437 3.701 30 20 CHED CC(C)C1(C)CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 450796664 VTTXVYRZEIWNCO-SFHVURJKSA-N 288.435 3.745 30 20 CHED C[C@H](F)CCN1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F 451834548 CHWKWWVGHKVMHA-XHNCKOQMSA-N 295.242 3.940 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc(-c2ccccc2)o1 453369285 TUEKIDNJIPBMRQ-ZBFHGGJFSA-N 285.387 3.924 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](CC2CC2)C1 454815934 TWFUKJOLDGELAI-ZFWWWQNUSA-N 264.413 3.563 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)C2=CCC(C)(C)CC2)C1 455730962 TUKUFLGTNMUSST-SUMWQHHRSA-N 274.408 3.712 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@@H](c1ccccc1)C1CC1 458793158 MOYRRYZIJVGVAN-KRWDZBQOSA-N 286.419 3.788 30 20 CHED C=C(CC)CNC(=O)N(CC)[C@@H](C)c1cccc(OC)c1 459071557 HLAQLUZPNYABSA-AWEZNQCLSA-N 290.407 3.754 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCC[C@H]1C(C)C 460565632 ZWMQYOWEYGFZNZ-HNNXBMFYSA-N 290.455 3.822 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C)[C@H]1C 460958694 NNAMUOPUSZUAPX-HZSPNIEDSA-N 276.428 3.602 30 20 CHED Cc1cc(C#N)cc(C)c1OCCOc1cccc(F)c1 461548808 UVSOROJYQYJWAY-UHFFFAOYSA-N 285.318 3.772 30 20 CHED CC#CCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 462313660 IQWQDHFJFQRMRU-XJKSGUPXSA-N 257.377 3.781 30 20 CHED CCCCCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 465447641 ZBLLBCJTAXIUKP-DLBZAZTESA-N 299.418 3.658 30 20 CHED CC#CCCCC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 466642205 PHAXLIBTXLDEIL-ACJLOTCBSA-N 287.378 3.759 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCc1ccc(Cl)cc1 467935040 IAKYZGJALNAPSU-MRXNPFEDSA-N 279.811 3.991 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cnc2ccccn12 470927547 ZBFLCSDKOKFJDR-UHFFFAOYSA-N 291.398 3.913 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 471598826 MEEMUUYYKZHAON-HPTBWKMGSA-N 272.367 3.731 30 20 CHED CC#CCNC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 473034848 PADYYOMSBCKEIT-HNNXBMFYSA-N 293.366 3.580 30 20 CHED C=CCCCCNC(=O)N(CCC(C)C)C1CC1 474091229 VYBSUKUGBWCCGN-UHFFFAOYSA-N 252.402 3.563 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 476055589 YEEYBJVFRSWBIL-IVSAIRAKSA-N 276.424 3.791 30 20 CHED C=C(C)CN(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 481290035 VZELMSGUAHTIEX-UHFFFAOYSA-N 275.392 3.650 30 20 CHED C=CCN(CC1CCCCC1)S(=O)(=O)c1cccs1 482022802 ZZGITGOMSRTLQU-UHFFFAOYSA-N 299.461 3.505 30 20 CHED C=CCCC[C@H](C)NCCCc1ccc2c(c1)CCO2 482227645 HLABFVWAQLTYGW-HNNXBMFYSA-N 273.420 3.889 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 483403049 ZHZVQHBLAJVXHI-KBPBESRZSA-N 290.382 3.679 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H]2CCCC[C@H]12 483678856 DWMVAAAAAJJFHC-SRCQZFHVSA-N 272.367 3.708 30 20 CHED Cc1ccc2ncc(C#N)c(N3[C@H]4CCC[C@H]3CC4)c2c1 488079611 UCYCNYSNDMISOM-GJZGRUSLSA-N 277.371 3.936 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1sccc1C1CC1 488842074 SBRTYXFOYCLICB-LBPRGKRZSA-N 261.390 3.806 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2ccccc2n1C(F)F 489483117 QKYGHAUYUUPWTA-GFCCVEGCSA-N 291.345 3.972 30 20 CHED Cc1cc(C(=O)N(C)c2ccc(C#N)cc2)cc(C)c1F 489896693 AUAIFKKKJQUIPO-UHFFFAOYSA-N 282.318 3.591 30 20 CHED C=CCC(C)(C)CNC(=O)c1nc(-c2ccccc2)oc1C 489957447 PYYFYYCKETZUQW-UHFFFAOYSA-N 298.386 3.982 30 20 CHED C#C[C@H](NCc1ccc(COC)o1)c1ccc(Cl)cc1 491408690 WKBZETIBAHHILW-INIZCTEOSA-N 289.762 3.544 30 20 CHED C=CCCCN1CC=C(c2ccc(C#N)cc2)CC1 502508337 RBSXJBKLAFZPIV-UHFFFAOYSA-N 252.361 3.614 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C)Cc1ccc(O)cc1 512262057 RELIZWFNMUJRBP-CYBMUJFWSA-N 296.370 3.706 30 20 CHED CN(C(=O)NCC(C)(C)CCC#N)C1CCC(C)(C)CC1 513114273 ZMMLEOIHKVHYCM-UHFFFAOYSA-N 293.455 3.927 30 20 CHED Cc1ccc2oc(N(C)Cc3cccc(C#N)c3)nc2c1 513651861 FSOHFOMOBXDJIO-UHFFFAOYSA-N 277.327 3.644 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[C@H](C)CC1 517464277 RPACMQQDJJGJTG-JCNLHEQBSA-N 286.419 3.963 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](CC)C1 518569879 KZPVWHLCVVHBIK-KBPBESRZSA-N 276.428 3.604 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@H]1COc2ccccc21 521015371 CFJUZNYDHQQEKD-LBPRGKRZSA-N 284.746 3.800 30 20 CHED CC1CCC(CC(=O)N[C@]2(C#N)CCC[C@H](C)C2)CC1 522645149 BTOKNAPVMIZBQS-KXJMLMMSSA-N 276.424 3.791 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H]2CCC[C@@H](C)C2)n1 522748149 SGVWZUZXPXWTPT-BXKDBHETSA-N 261.394 3.636 30 20 CHED C=CCCC1(C(=O)N2CCO[C@H](c3ccccc3C)C2)CC1 526005565 PTVKIZVFLHOKMZ-KRWDZBQOSA-N 299.414 3.641 30 20 CHED N#Cc1nnc2ccccc2c1N1CCCC2(CCCC2)C1 527325538 PRXXQAHQCSWAKK-UHFFFAOYSA-N 292.386 3.662 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(C)cc2F)no1 528157577 KLCOFLSMWAADBT-UHFFFAOYSA-N 273.311 3.766 30 20 CHED CCN(CCC#N)Cc1ccsc1C(F)(F)F 529520741 KWNKMGSVHLSFBD-UHFFFAOYSA-N 262.300 3.502 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(c2cccc(C#N)n2)C1 531193964 IWMGKCGEVKYVHZ-LJQANCHMSA-N 291.398 3.802 30 20 CHED COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(C)c1 537305667 FGXKUKPBCFQGEC-AWEZNQCLSA-N 280.371 3.726 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1CCC(C)(C)C#N 538465817 RRYITDDURANWBI-GFCCVEGCSA-N 260.356 3.685 30 20 CHED COc1ccc(C(C)(C)CNc2nccc(C)c2C#N)cc1 541279750 ZHYBHZZKOSZAQB-UHFFFAOYSA-N 295.386 3.660 30 20 CHED C=C(CC)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 541703697 NKSSZHDLRWBUJB-SJORKVTESA-N 277.383 3.944 30 20 CHED COCCOc1ccc(C#N)cc1N[C@@H]1CCC[C@H](C)C1 542464370 VEDXBWBJGLJKKY-DZGCQCFKSA-N 288.391 3.574 30 20 CHED Cc1ccnc(N2CCC[C@](C)(c3ccccc3)C2)c1C#N 543209987 GNYRHPZSMUNDMB-IBGZPJMESA-N 291.398 3.820 30 20 CHED Cc1cccc([C@H]2CCN(Cc3cc(F)ccc3C#N)C2)c1 543254162 UCZHOBQEXLLROD-KRWDZBQOSA-N 294.373 3.995 30 20 CHED N#Cc1cnc(N2CC(C3CCCCC3)C2)c(Cl)c1 549663072 LVRPGYMZGNNFIX-UHFFFAOYSA-N 275.783 3.623 30 20 CHED C=CCC[C@H](NC[C@@]1(C)CCCC[C@H]1O)c1ccco1 552044384 AJNHDPPBIDMGJV-USXIJHARSA-N 277.408 3.818 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N[C@@](C)(C#N)C(C)C 554138995 ZASAVWYKYVEMLC-HOCLYGCPSA-N 290.432 3.612 30 20 CHED C=CCOc1cccc(CN2CCCc3occc3C2)c1 554889236 WWXCKDFZBMUVMF-UHFFFAOYSA-N 283.371 3.793 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H](CCC)C(C)C)cc1 557060679 QFPPWMCWYUMFSN-QGZVFWFLSA-N 289.419 3.940 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1 560108682 ZTRNPKKXEJTRTK-OAHLLOKOSA-N 288.366 3.882 30 20 CHED Cc1cc(NCc2ccc([C@@H]3C[C@@H]3C)o2)cc(C#N)n1 561127237 KSBHVMKQSPWMAS-ZUZCIYMTSA-N 267.332 3.590 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cnc3ccc(C)cn23)no1 561933646 VDQITCFBXVCHKV-MRXNPFEDSA-N 282.347 3.546 30 20 CHED CC(C)c1ccc(O[C@H](C)CN[C@@H]2CC[C@H](C#N)C2)cc1 566873314 PGOWMLYQZBWSKD-HLLBOEOZSA-N 286.419 3.859 30 20 CHED CN(CCc1ccccc1O)c1cc(Cl)ccc1C#N 573537520 BXQMJUGXJBHQAN-UHFFFAOYSA-N 286.762 3.596 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H](C3CC3)C2)s1 579337523 PUHOWRHPMWBRIM-STQMWFEESA-N 260.406 3.678 30 20 CHED C=CCOCCOc1ccc(Cl)cc1Br 582288885 HPCIGYINQLKULE-UHFFFAOYSA-N 291.572 3.684 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)CC(C)(C)C#N 584014839 FBUHDHAUGCQOFZ-CHWSQXEVSA-N 264.413 3.599 30 20 CHED Cc1ccc2[nH]c(C(=O)NCC(C)(C)CCC#N)cc2c1 588783902 AAZHXVJALODKJK-UHFFFAOYSA-N 283.375 3.536 30 20 CHED CC(C)(CCC#N)CNc1ccnc2c(O)cccc12 588844831 GPHTWDUQZIOSGI-UHFFFAOYSA-N 269.348 3.682 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC23CCCC3)c(F)c1 590242337 QBGAZNCJLXGZFX-MRXNPFEDSA-N 272.367 3.900 30 20 CHED C[C@H]1CC(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C[C@H](C)C1 593982335 GGSMDFXBZPHWCF-RBSFLKMASA-N 298.430 3.678 30 20 CHED CC(C)[C@@H](CNCC(C)(C)CCC#N)C(=O)OC(C)(C)C 594518138 IBWYRHHOFYLGHE-CQSZACIVSA-N 296.455 3.520 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)NCCc1ccc(C#N)cc1 594956286 WQZVOSRKMKUGGB-AWEZNQCLSA-N 298.817 3.975 30 20 CHED Cc1ccc2c(c1)CN([C@H](C#N)c1ccccc1)CC2 595657818 OZSXXQABBUTRTN-GOSISDBHSA-N 262.356 3.618 30 20 CHED C[C@H](C#N)N(CCc1c(Cl)cccc1Cl)C1CC1 595710710 VAYHXVFXUVBBDR-SNVBAGLBSA-N 283.202 3.912 30 20 CHED C=CC[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 596428345 UEIIVHZAYLCAPF-LLVKDONJSA-N 295.308 3.765 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc(-c3cccnc3)c2)C1 597173863 MBKCWLJHXNERET-INIZCTEOSA-N 291.398 3.874 30 20 CHED C[C@H]1C[C@H](NC(=O)CC2(C#N)CCCCC2)CC[C@H]1C 597500603 MGDPRUBBMZZVLD-QLFBSQMISA-N 276.424 3.791 30 20 CHED CN(CCC(C)(C)C)C(=O)CC1(C#N)CCCCC1 597803046 VHAUNLVOPXTDRD-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1SC 597896436 QRPROLMLYCAQQV-QMMMGPOBSA-N 268.769 3.550 30 20 CHED C=CCCSCCNC(=O)[C@@H](C)c1cccc(Cl)c1 597967805 FRZJJDXCVPWDHF-LBPRGKRZSA-N 297.851 3.869 30 20 CHED C=CCCCCSCCC(=O)NCc1cnc(C)s1 601054401 CJPZWOSOZUDCKR-UHFFFAOYSA-N 298.477 3.547 30 20 CHED CCN(CC)[C@@H](CNC[C@H](C)CCC#N)c1ccsc1 602510763 NISGGLSUFFYQJG-ZBFHGGJFSA-N 293.480 3.660 30 20 CHED C[C@@H](CCC#N)CNC[C@@H](C)Oc1ccccc1Cl 602557016 ISHSFHDPTJDFIC-QWHCGFSZSA-N 280.799 3.637 30 20 CHED CCN(CCCC(C)(C)C#N)[C@H](C)C(F)(F)F 602990080 IXUSYGJTMOVCTD-SNVBAGLBSA-N 250.308 3.589 30 20 CHED Cc1cc(Br)ccc1[C@H](C)NCCCC#N 603427370 HDYGDBVWSDZUJA-NSHDSACASA-N 281.197 3.712 30 20 CHED CC[C@@H]1CCCN(c2ncc(C#N)cc2Cl)CC1 609765455 XTRREZDLPHYJCE-LLVKDONJSA-N 263.772 3.623 30 20 CHED CC(C)(C)N1CCCN(c2cc(Cl)ccc2C#N)CC1 609892197 PXUQRQKVCTXWTF-UHFFFAOYSA-N 291.826 3.522 30 20 CHED N#Cc1ccc(OCCN2CC[C@@H]2c2cccc(F)c2)cc1 610505756 VYTZVPOHTDEPHK-GOSISDBHSA-N 296.345 3.523 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)NCC(C)(C)C#N)cc1 611620511 RZFDPKUXUSKCQN-LBPRGKRZSA-N 289.379 3.535 30 20 CHED CC[C@H](C)CCCCC(=O)NCc1cccc(C#N)c1 612010652 LTHUBSGAHBZYBQ-AWEZNQCLSA-N 272.392 3.781 30 20 CHED C[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@](F)(C#N)C1 615646884 WXOZAKVIQAKCHH-ZANVPECISA-N 287.165 3.992 30 20 CHED Cc1cc(NCC(C)(C)C#N)c2ccc(F)c(F)c2n1 616992952 AXDLILBUDVSUNI-UHFFFAOYSA-N 275.302 3.783 30 20 CHED C=CCCNC(=O)c1cc(C(F)(F)F)ccc1OCC=C 617616237 NYQFEJHZNYOYPN-UHFFFAOYSA-N 299.292 3.576 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2ncccc2c1 618742156 RYSXDKMDLVPFQP-HXUWFJFHSA-N 299.377 3.884 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(F)c2ccccc12 619519625 MZBNLARKFDFXLY-LBPRGKRZSA-N 284.334 3.647 30 20 CHED N#Cc1ccc(C(=O)N2CCCCc3sccc32)s1 619557509 GAVAKBPJUJOGCD-UHFFFAOYSA-N 288.397 3.664 30 20 CHED C=CCOc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(C)C3)cc1 620427880 MPIRVJSWBSPXAY-IRXDYDNUSA-N 299.414 3.583 30 20 CHED C=CCNC(=O)Nc1c(C)cc(C(F)(F)F)cc1C 640764196 OLYOBEYTSACUNB-UHFFFAOYSA-N 272.270 3.630 30 20 CHED C=CCC(CC=C)c1nc(-c2csc(C)n2)no1 643123164 GOFARQLJOVTXRL-UHFFFAOYSA-N 261.350 3.737 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2c(C)noc2C)CCCCC1 648930023 XYUFAYAJOFGHHF-LBPRGKRZSA-N 290.407 3.995 30 20 CHED C=CCCNC(=O)N1CCC[C@H]1c1cccc(C)c1C 661570597 HVYWZGWSFYCSQC-INIZCTEOSA-N 272.392 3.726 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1C#N 695714081 QBUAKLVZIDCQPY-GFCCVEGCSA-N 276.767 3.976 30 20 CHED CCCCCCCCC(=O)N1CCC(O)(C(C)C)CC1 710603822 OIPZWIVIEGXVSG-UHFFFAOYSA-N 283.456 3.747 30 20 CHED Cc1ccsc1/C=C1\CCc2cc(O)ccc2C1=O 726427285 JFDKRFOJHHMQAG-FMIVXFBMSA-N 270.353 3.975 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(N(C)C)c(F)c2)cc1 727653166 GGIJGBMJCGAYHS-VZUCSPMQSA-N 299.345 3.796 30 20 CHED CN(C)c1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1F 727653898 BNPMHPNCGMJPIC-XYOKQWHBSA-N 299.320 3.853 30 20 CHED N#CCCN(CC1CC1)C(=S)Nc1ccccc1Cl 728792836 OJEOVIWDTBZNFS-UHFFFAOYSA-N 293.823 3.662 30 20 CHED C=C(C)COC(=O)/C=C\c1ccccc1O[C@H](C)CC 729870591 FFVROGKHKPJFLS-IWMPZKFUSA-N 274.360 3.996 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cc(C)cc(C)c1 730433896 VLDCRZVVFNFCEW-UHFFFAOYSA-N 268.364 3.546 30 20 CHED CCCCCCCC(=O)NCc1ccc(F)c(COC)c1 730756147 AZVSHWBJHWGYTB-UHFFFAOYSA-N 295.398 3.949 30 20 CHED Cc1cccc(C=NNc2oc(CC(C)C)nc2C#N)c1C 731153650 WSZQKFQZOPNXSM-UHFFFAOYSA-N 296.374 3.808 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(CC)s1 731217242 CIGYWJNFJHSOFL-INIZCTEOSA-N 296.395 3.510 30 20 CHED CCON=C(Cc1nc2ccccc2n1C)c1ccccc1 731664776 WFRKTONVTLUNOE-UHFFFAOYSA-N 293.370 3.557 30 20 CHED CCn1cc(/C=C2\CCCc3ccccc3C2=O)cn1 732529241 RXVJAHREHBGQKB-XNTDXEJSSA-N 266.344 3.506 30 20 CHED CC[C@H](/N=C/c1cccc(O)c1O)c1cc(F)ccc1F 740763334 HFBKAJDIQCNEPG-FRSZACSASA-N 291.297 3.946 30 20 CHED CCCCCCCN1CCC(C(=O)N(C)CCCC)CC1 740875319 SNBMXOMBJVIUDX-UHFFFAOYSA-N 296.499 3.927 30 20 CHED CC1(C)C(=NNc2ccc(Cl)cc2)[C@H]2CCCO[C@@H]21 743419734 YUWAFHZEPNJOPT-OCCSQVGLSA-N 278.783 3.943 30 20 CHED C=C(Br)CN1[C@H](C)C[C@H]2CCCC[C@H]21 743854332 UHFDEICOENITMP-IJLUTSLNSA-N 258.203 3.548 30 20 CHED N#Cc1ccccc1COC(=O)CCCC1CCCC1 744087569 CACGZBITFNREKC-UHFFFAOYSA-N 271.360 3.962 30 20 CHED COc1ccc(C)cc1C(C)=NNc1cccc([N+](=O)[O-])c1 744578670 SRCDYXOAPWSAKQ-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C(=NNc1ncnc2c1oc1ccccc12)c1cccs1 744788048 AWEVFDFFBUWIMF-UHFFFAOYSA-N 294.339 3.884 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1Oc1cccc2c1CCCC2 747226912 JXZTVMSKFSYDSQ-UHFFFAOYSA-N 295.298 3.533 30 20 CHED CC(C)[C@H]1CCCC1=NNc1nc2ccccc2n1C 747754026 YOGRPVXIOWZEOF-GFCCVEGCSA-N 270.380 3.797 30 20 CHED CCc1c(C(C)=NOCCOC)oc2ccc(C)cc12 748791665 OAXLZRAYYAMBEH-UHFFFAOYSA-N 275.348 3.691 30 20 CHED Cc1cc(C#N)ccc1COC(=O)/C=C\c1ccsc1 748920076 CFNYEOXMMRRRPD-HYXAFXHYSA-N 283.352 3.685 30 20 CHED CCN(C(=O)[C@@H](C)c1ccc(C)o1)c1ccc(C#N)cc1 753177844 BTMFLLFLCWOAAP-ZDUSSCGKSA-N 282.343 3.616 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cc2ccc(C)cc2o1 754980654 UCMRNPKMRLEPDL-CYBMUJFWSA-N 273.332 3.518 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NNc2ccc(F)cc2)c1 755471413 IICMTBLFILGRIG-UHFFFAOYSA-N 294.333 3.970 30 20 CHED N#Cc1ccccc1/C=C1/Cc2c(F)ccc(F)c2C1=O 755599223 OGXVGBXIXYQJRC-GHXNOFRVSA-N 281.261 3.659 30 20 CHED C#Cc1cccc(NC(=O)N2CCC(CC)(CC)C2)c1 755772243 VDKPNRRJMSLYSI-UHFFFAOYSA-N 270.376 3.712 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccccc1Br 755820577 WXPBPHUHGOFIAB-ZDUSSCGKSA-N 298.180 3.716 30 20 CHED CCCOc1ccc(C=NNc2cc(C)ccn2)cc1OC 755904578 ZCOGFNSSRPFBBR-UHFFFAOYSA-N 299.374 3.633 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1 756921212 GLOYEABNFVCSLK-OAHLLOKOSA-N 282.318 3.712 30 20 CHED Cc1ccc(COC(=O)c2ccc(CC#N)cc2)cc1C 758527279 WCXKBXGMFBUYBM-UHFFFAOYSA-N 279.339 3.727 30 20 CHED CC(=NOCC(F)F)c1cccc(-c2ccncc2)c1 758902727 JKCINSGKWOULFY-UHFFFAOYSA-N 276.286 3.754 30 20 CHED CCC(=CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1)CC 759555925 QMWBPBSATGIBBD-ZDUSSCGKSA-N 281.359 3.794 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(O)c(F)c1 759667935 ZJUUSNQGRMPEBP-UHFFFAOYSA-N 276.286 3.815 30 20 CHED CC(C)=CCC/C(C)=C\C=NNc1ncc(F)cn1 760262415 LMLRODREVWKEDU-XFOPUFSWSA-N 262.332 3.706 30 20 CHED C#CCOc1ccccc1-c1noc(/C=C2\CC[C@@H](C)C2)n1 761996581 ZZPBPUDZQUBBSL-MNWMYKRDSA-N 294.354 3.952 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H]1CCSC1 762054247 CWEFLVPPUXJCLR-KGLIPLIRSA-N 271.470 3.852 30 20 CHED C=CCCCc1nc(Cc2cccc(F)c2Cl)no1 762133428 XZGONRVTAUECGT-UHFFFAOYSA-N 280.730 3.962 30 20 CHED Cc1oc(C)c(C(=O)O[C@H](C)c2cccc(C#N)c2)c1C 764610537 YEXNDOIBFVTPRQ-GFCCVEGCSA-N 283.327 3.995 30 20 CHED COc1cccc([C@H](C)C(=O)Oc2ccc(C#N)c(C)c2)c1 765092413 UKYMOYSBIGKBCS-ZDUSSCGKSA-N 295.338 3.584 30 20 CHED C#CCCCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 766914790 WQEVSCAFAVQOMY-MRXNPFEDSA-N 266.388 3.761 30 20 CHED CCCCCCCN[C@H](CO)[C@H](C)c1ccccc1 766972840 WADPVVJHOUNVGK-NVXWUHKLSA-N 263.425 3.711 30 20 CHED C#C[C@@H](C)N(C)C(=O)C1(c2cccc(F)c2)CCCCC1 767251935 HODGUHWAMJZDRE-CQSZACIVSA-N 287.378 3.508 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2CCCc3sccc32)c1 767339613 VSIOZESDZDUULX-XGHPXPSOSA-N 287.384 3.959 30 20 CHED FC(F)CON=CC1CCC(C(F)(F)F)CC1 767394739 UONVSEGNLHHWHK-UHFFFAOYSA-N 259.218 3.623 30 20 CHED CCCOc1ccc(C=NOCC)c(OCCC)c1 767465279 XYMFROIQDRWCBQ-UHFFFAOYSA-N 265.353 3.635 30 20 CHED Cc1ccc(C=NNc2cc(C#N)cc(Cl)n2)cc1F 768372460 ACRNPWYCLAKGIQ-UHFFFAOYSA-N 288.713 3.500 30 20 CHED C#CCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)CC(F)(F)F 768531582 FSAVGRYJSGPAFZ-DGCLKSJQSA-N 285.309 3.791 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1cccc2nccn12 769611171 WQNGTUHAHMDYRQ-SOFGYWHQSA-N 280.302 3.678 30 20 CHED C#C[C@H](C)N(C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 769961157 PBRYFILSVLIPNG-ZDUSSCGKSA-N 299.805 3.559 30 20 CHED C=CCN(Cn1ccc(=S)c2ccccc21)C1CC1 771639492 ABCXIVRHHTXAPX-UHFFFAOYSA-N 270.401 3.979 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)cc1F 772797233 MXRSJYVJORKKKY-GQCTYLIASA-N 299.276 3.741 30 20 CHED COC(=O)c1coc(/C=C2\C[C@@H](C)c3ccccc3C2=O)c1 774134585 DJSHOUWZZPBNBK-OYGDSYQHSA-N 296.322 3.840 30 20 CHED CC(C)n1cc2c(n1)[C@H](N[C@H]1CCC[C@@H](C#N)C1)CCC2 774348028 IOKRBNBSULYKIR-VNQPRFMTSA-N 286.423 3.513 30 20 CHED Cc1cc(CNc2cnc(Cl)cc2C)ccc1C#N 775160906 VBVJDILHLXUNBW-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C#CCOc1ccccc1NCc1ccc(N(C)C)c(F)c1 775360394 LBAXKTFOPPXLGL-UHFFFAOYSA-N 298.361 3.516 30 20 CHED C#CCCCCC(=O)Nc1cc(C)nn1[C@H]1C[C@H]2CC[C@H]1C2 775573855 SBFMXWWZPIMEGI-JYJNAYRXSA-N 299.418 3.685 30 20 CHED C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(N(C)C)cc1 775827912 MEXXKPWRSGQBBK-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED CCOCCON=C1CCSc2cc(C)c(C)cc21 777447354 YXRZOSNQCOTJGK-UHFFFAOYSA-N 279.405 3.556 30 20 CHED C#CCCOC(=O)c1cc(Cl)cc(C(F)(F)F)c1 778525607 VEWUBEUPVMSJIE-UHFFFAOYSA-N 276.641 3.539 30 20 CHED CCNc1ccc(C#N)cc1NCCc1cccs1 778613644 PDTXFHPHPROEPK-UHFFFAOYSA-N 271.389 3.706 30 20 CHED CC(C)(C)[C@H]1CCCC(=NN[C@@H]2CCCOC2)CC1 780256884 DHZWGOZPPTXBGE-DZGCQCFKSA-N 266.429 3.737 30 20 CHED C#CCCCCCC(=O)O[C@H]1CCCc2ccccc2C1=O 780258922 QABGGEQGIGWJDG-KRWDZBQOSA-N 298.382 3.701 30 20 CHED CCSCCC=NNc1cc(F)c(F)cc1F 781128018 SOMCUTCCIUWUPM-UHFFFAOYSA-N 262.300 3.645 30 20 CHED C#CCN[C@@H](c1cccc2ccccc12)C(F)(F)F 781348319 GDXNIGQFBDLXES-AWEZNQCLSA-N 263.262 3.666 30 20 CHED C[C@H](C#N)CNC(=O)N[C@H](c1ccccc1)C1CCCCC1 781929994 USHFBYUPNSEPBJ-RHSMWYFYSA-N 299.418 3.767 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccnc(Cl)c2)ccc1F 782194468 PFKWZDBJYGOAAQ-DUXPYHPUSA-N 286.693 3.642 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1c[nH]c2ccc(C#N)cc12 782286163 DKPUZTDEXOARHM-INIZCTEOSA-N 280.375 3.542 30 20 CHED C=C(CC)COC(=O)c1ncsc1-c1ccccc1 782383858 ILMBRTWOJLIFJR-UHFFFAOYSA-N 273.357 3.933 30 20 CHED C=C[C@@H]1CCCCN1C(=S)N[C@H](C)Cc1ccccc1 782408803 ODQPKJUDLZISHK-GDBMZVCRSA-N 288.460 3.533 30 20 CHED C=CCCCCCOC(=O)/C=C\c1cnc(C)s1 783644761 YLIUYFHXGCPHEV-HJWRWDBZSA-N 265.378 3.754 30 20 CHED C=CC[C@@H](C(=O)OCc1cncc(C)c1)c1ccccc1 785703528 VNMPIAHIQJRFGE-QGZVFWFLSA-N 281.355 3.793 30 20 CHED Brc1ccc(C=NNC2CCCCC2)cc1 786042066 JBTMHWUGBOUKJX-UHFFFAOYSA-N 281.197 3.705 30 20 CHED CC(C)(C)OCCCCON=Cc1ccccc1F 788784460 MEOHCSISSHDCNC-UHFFFAOYSA-N 267.344 3.772 30 20 CHED CCCc1ccc(C(C)=NNc2nc3ccccn3n2)cc1 790195694 LCRHSRNSEQQUTF-UHFFFAOYSA-N 293.374 3.518 30 20 CHED CCc1ccc(CCC(=O)N(CCC#N)CC(C)C)cc1 792522366 ZRIWTYMRORNFRR-UHFFFAOYSA-N 286.419 3.580 30 20 CHED Fc1ccc(/C=C\C=NO[C@@H]2CCCCO2)cc1F 794923363 OVAWYKSHQLWPLY-INDJIZKNSA-N 267.275 3.507 30 20 CHED C=C[C@H]1CCCCN1c1ccc(C(=O)CC)cc1[N+](=O)[O-] 795170281 AUOJTISULKIUOA-ZDUSSCGKSA-N 288.347 3.732 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)C1CCCCCC1 796454205 ATDOZFBRZXQKKQ-UHFFFAOYSA-N 266.381 3.671 30 20 CHED CCCc1ccc(C(=O)/C=C\c2ccoc2C(=O)OC)cc1 797156256 FXGHKBXQVARXIG-KTKRTIGZSA-N 298.338 3.915 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CCCc2ccc(F)cc21 797965393 ZPHOGCPDWGYONQ-MRXNPFEDSA-N 299.301 3.833 30 20 CHED CCc1cccc(C)c1NN=Cc1nc(C)cs1 799493531 GDVIWGQSOOKZJZ-UHFFFAOYSA-N 259.378 3.768 30 20 CHED CCc1cccc(C)c1NN=Cc1scnc1C 799493812 QKCGTSMOMALLSD-UHFFFAOYSA-N 259.378 3.768 30 20 CHED COc1ccc(NN=C2CCC[C@H](c3cccnc3)C2)nc1 799885688 ACFMFAHYCHFEIB-ZDUSSCGKSA-N 296.374 3.611 30 20 CHED CCCC[C@H](C)C(=O)OCc1ccc(C#N)c(C)c1 800274470 NUDWGPJQVQJYRY-LBPRGKRZSA-N 259.349 3.736 30 20 CHED N#Cc1ccc(NCc2ccc(C(F)(F)F)s2)cn1 800723516 QFYBVESIVZKWDD-UHFFFAOYSA-N 283.278 3.646 30 20 CHED CCc1ccc(CN(C)c2nc(Cl)c(C#N)s2)cc1 804325259 QBUWOVQFRGQTBX-UHFFFAOYSA-N 291.807 3.867 30 20 CHED C=CCCCCCCNC(=O)N[C@H]1CC[C@@H](SC)C1 805160576 ZRSAWOCKJHHQMW-UONOGXRCSA-N 284.469 3.706 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2scnc2C2CC2)c1 806558675 IWLIXJHSJDSTEH-VOTSOKGWSA-N 299.351 3.615 30 20 CHED O=C1/C(=C\c2ccccc2)C[C@H](C(=O)O)c2ccccc21 806560451 MBYUYMOLPJHROE-DDKJEQMHSA-N 278.307 3.525 30 20 CHED Cc1ncsc1/C=C1/C(=O)c2ccccc2[C@@H]1C 809159368 OJGGHDNYCQVNHH-PBJWJZLWSA-N 255.342 3.835 30 20 CHED CC(C)(C)c1ncc(C=NOC/C=C\Cl)s1 811668190 LKWFQCGUARHRIT-NAJMZCTISA-N 258.774 3.544 30 20 CHED CC(=NOC/C=C\Cl)c1c(Cl)cccc1[N+](=O)[O-] 811672428 YRAUKGGTAQJITP-DFQCKXBHSA-N 289.118 3.741 30 20 CHED C#C[C@H](Nc1ccc(C#N)c(C)n1)c1ccc(Cl)cc1 813607482 MGXZCWYKEZIWFE-HNNXBMFYSA-N 281.746 3.702 30 20 CHED COc1cccc(NN=C2COc3c(Cl)cccc32)c1 814777298 QDOLOPUMFOBIAW-UHFFFAOYSA-N 288.734 3.557 30 20 CHED C#Cc1cccc(NC(=S)NN=C2CC[C@@H]2C2CCC2)c1 814831614 JPQOFQJUJFKAGR-OAHLLOKOSA-N 297.427 3.520 30 20 CHED CCOC(=O)c1ccc(NN=CCCCSC)cc1C 814934491 DKUPMCZRVBLMJJ-UHFFFAOYSA-N 294.420 3.713 30 20 CHED N#C[C@@H](C(=O)C(F)=C1CCCC1)c1nc2ccccc2o1 815915113 DFZDNVNFNAUGRP-NSHDSACASA-N 284.290 3.802 30 20 CHED C=CC1CCN(Cc2cc(Cl)c(F)cc2O)CC1 816509025 BQLTZLYLFFSFSI-UHFFFAOYSA-N 269.747 3.583 30 20 CHED CC(CCCc1cccnc1)=NN[C@@H](C)c1ccncc1 819818431 MHQHHJLAMYNQHN-HNNXBMFYSA-N 282.391 3.526 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc(CF)cc1 821447412 FQMRCBWMZRDKOX-UHFFFAOYSA-N 250.313 3.802 30 20 CHED C[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1ccc(C#N)cc1 828663790 ONBZCBPPFMIRRC-MFKMUULPSA-N 283.202 3.793 30 20 CHED C[C@]1(CNc2snc(Cl)c2C#N)CC1(Cl)Cl 828791196 QQIQEUQNTVMOST-MRVPVSSYSA-N 296.610 3.664 30 20 CHED Cc1nc(C)c(CSc2nc3c(c(C)c2C#N)CCC3)o1 828808073 FOXMKMLILAGKSD-UHFFFAOYSA-N 299.399 3.648 30 20 CHED C=CCC[C@@H](NCc1coc(CC)n1)c1ccco1 834896786 CTEZHUQFQLDHPZ-CYBMUJFWSA-N 260.337 3.627 30 20 CHED C#Cc1cccc(CN[C@H]2CCCc3ccc(OC)cc32)c1 834904119 VJTUFZKCAHMORJ-FQEVSTJZSA-N 291.394 3.844 30 20 CHED C[C@H](OC(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1ccc(C#N)cc1 835204479 UMSLGXIDMSPZAA-MWNCTCPHSA-N 269.344 3.599 30 20 CHED Cc1ccc(F)c(COC(=O)CCCCCC#N)c1 835923817 RZWFRQNOAJQDDG-UHFFFAOYSA-N 263.312 3.651 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1ccc(C(C)=O)cc1 840750898 ZEPJRBIPFBEJJL-UHFFFAOYSA-N 290.432 3.778 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C(=O)O)c1ccccc1 840996038 GTHMUTIRDYDZPQ-HIFRSBDPSA-N 261.365 3.537 30 20 CHED C#C[C@H](OC(=O)c1csc(C(C)(C)C)n1)c1ccccc1 842364810 HPOGRGJMPGABDQ-AWEZNQCLSA-N 299.395 3.972 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccnn2CC(C)C)s1 843269084 NBMAFUDMGBNLDA-WAYWQWQTSA-N 274.389 3.805 30 20 CHED C#C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 843637860 WISVOQLLZOQLAN-ZVQXUQNISA-N 293.410 3.694 30 20 CHED C=C[C@@H](C)ON=C(C)CSc1ccccc1[N+](=O)[O-] 844621837 OGXUVYBUJSOOCZ-LLVKDONJSA-N 280.349 3.654 30 20 CHED C=C[C@H](C)ON=C1CCC(O)(c2cccc(F)c2)CC1 844622156 VOBCZRTYZGTJJQ-HKALDPMFSA-N 277.339 3.534 30 20 CHED C[C@@H](C/N=C(/Nc1ccccc1)N1CCCCC1)C1CC1 849064542 JNQVCRMEWHTQNG-HNNXBMFYSA-N 285.435 3.987 30 20 CHED CCCC[C@](C)(F)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 850986892 TWQHYYOEBUENGF-SJCJKPOMSA-N 299.349 3.724 30 20 CHED CCCCS[C@@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N 851211310 DMYQHRXRMBUJJY-RYUDHWBXSA-N 271.426 3.780 30 20 CHED C=CC(C)(C)CCOC(=O)CSCc1cscn1 851299644 TUCHEZARRCTZJB-UHFFFAOYSA-N 285.434 3.522 30 20 CHED C#CC[C@@H](CCOC)NCc1cc(Cl)cc(Cl)c1 858334794 YZSCBDJUYUZZOR-AWEZNQCLSA-N 286.202 3.511 30 20 CHED CC(C)[C@@H]1CCCC1=NNCC(F)(F)C(F)(F)F 863181143 JDHCIIMAKSBHNV-QMMMGPOBSA-N 272.261 3.586 30 20 CHED Cc1ccc(CNc2cccc(C#N)c2[N+](=O)[O-])cc1F 863999230 BWYCYAKFUIEKSL-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C=C1CCN(C(=O)NC2(C(F)(F)F)CCCCC2)CC1 864253540 WIRDYCBKNHPAOH-UHFFFAOYSA-N 290.329 3.613 30 20 CHED N#CC1(COC(=O)CCc2cccc3ccccc23)CC1 869863869 YBIWHLIPFVISFL-UHFFFAOYSA-N 279.339 3.619 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(OCCCC#N)c1 878316052 FHBMAGWZYPMSQU-UHFFFAOYSA-N 286.375 3.910 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H](C)c1ccc(F)cc1 878414824 UDABILXOJKLJIM-LBPRGKRZSA-N 263.356 3.648 30 20 CHED Cc1ccc(N2CCC[C@@H]2c2ccsc2)c(C#N)n1 881809938 PWVOSPPEWXLLEC-CQSZACIVSA-N 269.373 3.665 30 20 CHED CCCCCCCCC(=O)Nc1nc(-c2ccco2)n[nH]1 892300059 DBOQFMXKUSIRSZ-UHFFFAOYSA-N 290.367 3.754 30 20 CHED C=CC1(OC(=O)c2cc(C(C)C)nc3onc(C)c23)CC1 893365094 GKQFUIOESDWEMD-UHFFFAOYSA-N 286.331 3.530 30 20 CHED CC[C@@H](C)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901380646 ZYLNVKMRPFSSIS-MRVPVSSYSA-N 276.163 3.757 30 20 CHED C=C(C)C[C@@H](N[C@@H](C)CC(C)(C)c1ccccc1)C(=O)O 901680370 WWBABJGDJDFVTR-GOEBONIOSA-N 289.419 3.752 30 20 CHED C=CCCN1CCC(c2c[nH]c3ccc(C(=O)O)cc23)CC1 903636249 XOJDPCZZWWVAAT-UHFFFAOYSA-N 298.386 3.622 30 20 CHED C=CC(C)(C)Cc1nc(-c2ccc(OC)c(OC)c2)no1 904281310 WQEUAMIRLDVZCG-UHFFFAOYSA-N 288.347 3.509 30 20 CHED CCCCCCC(C)=NNc1ccc(S(C)(=O)=O)cc1 914835725 OATJVZYKQQPADM-UHFFFAOYSA-N 296.436 3.848 30 20 CHED CCCCNN=C(C)c1cc2cccc(OCC)c2o1 915966561 WXTGQNQYCFDSDU-UHFFFAOYSA-N 274.364 3.945 30 20 CHED CC1=CC(=NNc2ncc(Cl)cc2Cl)CC1 916316449 BNNVUHAXAZSPHM-UHFFFAOYSA-N 256.136 3.896 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 917304657 BZSGNRQOCVHNQX-VIFPVBQESA-N 289.158 3.880 30 20 CHED C=CCN(Cc1cccs1)C(=O)CSCCCC 917652623 SXBANKGWEZUEMD-UHFFFAOYSA-N 283.462 3.796 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)c1cccc(CC#N)c1 919312015 RJSXJYIBTJVORM-OAHLLOKOSA-N 293.366 3.931 30 20 CHED CCCCCCCCOC(=O)[C@H]1CCCN(C(=O)CC)C1 919454578 YEHQWGQUECLGCF-HNNXBMFYSA-N 297.439 3.539 30 20 CHED Cn1ccnc1C(=O)/C=C/c1ccc(Cl)cc1Cl 920963610 UPIYLYHUPCFZAQ-HWKANZROSA-N 281.142 3.623 30 20 CHED CCc1ncc(CN(Cc2ccc(C#N)cc2)C(C)C)o1 929380370 NIOPMUHCDAGPST-UHFFFAOYSA-N 283.375 3.519 30 20 CHED Cc1cc(NC(=O)N2CCC[C@H](C#N)C2)cc(C)c1Cl 931284196 SUZZEBOZICTDJO-GFCCVEGCSA-N 291.782 3.724 30 20 CHED CC(C)N(Cc1ccco1)C(=O)Nc1sccc1C#N 1119911020 DLMIIMYSTSSYLK-UHFFFAOYSA-N 289.360 3.655 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1cccc(OCC)c1 1120594497 PNHXNNQTFVLCOR-ZDUSSCGKSA-N 261.365 3.619 30 20 CHED Cc1ccsc1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1132213729 MUOZJVLVQZJYAO-UHFFFAOYSA-N 290.775 3.858 30 20 CHED C[C@H]1CCc2nc(NC(=O)CCCCCC#N)sc2C1 1258469115 TZDYCFCATBKFFP-NSHDSACASA-N 291.420 3.680 30 20 CHED C#CCC1(C(=O)N2C[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)CCCCC1 1261269337 KZBGQMVJJVCSJC-WNRNVDISSA-N 297.442 3.631 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](C)c1cnccc1C 1263723032 LVHPCNKGGPTWND-CABCVRRESA-N 287.407 3.591 30 20 CHED N#CCCCCOC(=O)C(F)(F)c1ccc(Cl)cc1 1317946045 ZCENACKMAGOLMN-UHFFFAOYSA-N 287.693 3.669 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1cncc(F)c1 1323207261 VNBJEJKHIATGOZ-ALCCZGGFSA-N 267.303 3.606 30 20 CHED N#CCOc1ccc(N[C@H]2CCCc3c(O)cccc32)cc1 1323996973 JMDKPGGXUHVYHJ-KRWDZBQOSA-N 294.354 3.784 30 20 CHED CC(=NNc1ccc(C#N)cn1)C12CC3CC(CC(C3)C1)C2 1330918322 NICQUHKSUBJDIM-UHFFFAOYSA-N 294.402 3.957 30 20 CHED CS[C@H](C)CC(=O)N(c1ccccc1C#N)C1CCC1 1334261833 QQUSCALUDTYVBR-GFCCVEGCSA-N 288.416 3.585 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C)nc1Cl 1337656253 IIGVYWGERSRRQU-UHFFFAOYSA-N 252.745 3.584 30 20 CHED C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ccsc1 1340074442 TTZPDOTUQJHSSM-GFCCVEGCSA-N 296.395 3.529 30 20 CHED C[C@H]1CCC[C@@H](OCc2nnc(-c3ccc(C#N)cc3)o2)C1 1341531861 LVOBHIKKDOGANY-SWLSCSKDSA-N 297.358 3.704 30 20 CHED N#C[C@@H](C(=O)c1ccc2sccc2c1)c1cccc(F)n1 1343312610 OZZVXXJHRPAWRX-GFCCVEGCSA-N 296.326 3.925 30 20 CHED CC(C)(C#N)c1nnc(CC23CC4CC(CC(C4)C2)C3)o1 1345681476 AQNBUPPCPVJKNK-UHFFFAOYSA-N 285.391 3.630 30 20 CHED N#C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(F)n1 1347105991 BVPKIDWCRXSNKU-RZYZSWTKSA-N 298.361 3.613 30 20 CHED N#Cc1ccc(C(=O)N2CCCC23CCCCC3)c(F)c1 1353621137 RCUWWPMBYRTMCM-UHFFFAOYSA-N 286.350 3.636 30 20 CHED CCCC1CCC(NC(=O)c2cccc(C#N)c2C)CC1 1357497890 FNTJXZVYOMOLLK-UHFFFAOYSA-N 284.403 3.955 30 20 CHED CC[C@@H]1CC[C@@H](C)N(c2ccc(Cl)c(C#N)n2)C1 1458487817 JHWWHMXFESXWRS-GHMZBOCLSA-N 263.772 3.622 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1F)[C@H]1CC1(C)C 1466788975 RRWJONBZLCUXBE-DGCLKSJQSA-N 289.354 3.644 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC2CCCCCC2)c1 1466839140 CNJFLNHAUHNQQX-UHFFFAOYSA-N 285.391 3.959 30 20 CHED Cc1ccc(C#Cc2ccc(Cl)cc2C=O)cc1 1503999983 BCJCKRMBJGJHNU-UHFFFAOYSA-N 254.716 3.861 30 20 CHED C[C@]1(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]2CC[C@H]1C2 1521814705 IBKXVGJOTRCICT-PKWAYOAASA-N 288.778 3.976 30 20 CHED Cc1cccc2c1[C@@H](OC(=O)c1ccsc1C#N)CCO2 1526989732 XTXWTRMFDGHEKP-ZDUSSCGKSA-N 299.351 3.609 30 20 CHED CCC[C@H](NC(=O)c1cccc(C#N)c1C)C1CCCC1 1528199263 XOGCPWJSSKTQED-KRWDZBQOSA-N 284.403 3.955 30 20 CHED CCC(=O)c1ccc(NC(=O)c2cc(C#N)ccc2C)cc1 1532572333 JUGMQVICEQETRU-UHFFFAOYSA-N 292.338 3.712 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)C1CCCCCC1 1536738755 HBXVGFOPDPLGSL-CYBMUJFWSA-N 264.413 3.791 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@@H](CC#N)c2ccccc2)[C@@H]1C 1542595907 WMXURZBPNNEAIK-AHCXZYCDSA-N 298.430 3.872 30 20 CHED CCc1cccc(N(C)C(=O)c2cccc(C#N)c2C)c1 1583267043 ICTXHKPHFOGIQO-UHFFFAOYSA-N 278.355 3.706 30 20 CHED CCO[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)c1ccccc1 1584929891 GJQHZWMENOSKQA-QGZVFWFLSA-N 294.354 3.583 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C(C)C)cc1C(=O)O 1602880114 CMTZEKFVXSONNO-UHFFFAOYSA-N 290.363 3.548 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 1604124090 SXOPSXDTLXANAZ-TUKIKUTGSA-N 286.375 3.615 30 20 CHED CC[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2C)[C@H]1C 1623179709 RYFGVSNKHSWSGF-JSGCOSHPSA-N 271.364 3.519 30 20 CHED CCC1(C)CCN(c2ncc(Cl)c(C)c2C#N)CC1 1642175629 IDAHWHFCFIWXLI-UHFFFAOYSA-N 277.799 3.932 30 20 CHED N#Cc1cccc(Oc2ccnc(NCC3CCCC3)n2)c1 1651365651 VSJSXJGQZRYBDY-UHFFFAOYSA-N 294.358 3.743 30 20 CHED Cc1cc(NCc2c(C)oc3ccccc23)ncc1C#N 1651719882 VERDHEDSKJGHDV-UHFFFAOYSA-N 277.327 3.928 30 20 CHED N#Cc1cnc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 1651815424 YYJWFVXHIGDSLP-UKRRQHHQSA-N 299.324 3.980 30 20 CHED Cc1cc(CN(C)[C@@H]2CCC[C@H](C)C2)ccc1C#N 1652051153 CDVOBVRFZAOKKN-SUMWQHHRSA-N 256.393 3.877 30 20 CHED CO[C@]1(C)C[C@@H](NCCC2(C#N)CCCCC2)C1(C)C 1653642592 QOLWHKTZYNGYRY-GDBMZVCRSA-N 278.440 3.644 30 20 CHED C[C@@H]1CCC[C@@H](CN(C)Cc2ccc(C#N)cc2)C1 1657421409 YSKDZSRNJJOBMJ-RHSMWYFYSA-N 256.393 3.816 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)CC1 1674213320 QDDICBPODXBQEY-FZMZJTMJSA-N 289.354 3.788 30 20 CHED CC(=NNc1ccccc1C(=O)O)[C@H]1CCCC[C@@H]1C 1776030668 DRXTUGBMDGUMAQ-AAEUAGOBSA-N 274.364 3.999 30 20 CHED Cc1sc(Cl)cc1C=NNc1cccc(C(=O)O)c1 1776038460 KZKBKTGSUJVCSW-UHFFFAOYSA-N 294.763 3.854 30 20 CHED CC1(C)CC(=NNc2ccc(C(=O)O)nc2)CC(C)(C)C1 1776070545 VZFUCRBNZPRSQI-UHFFFAOYSA-N 289.379 3.784 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)c1ccccc1C 1776073313 NVFDYLXHMYIIND-UHFFFAOYSA-N 286.306 3.668 30 20 CHED CC1(C)CCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 1776074032 CVSHMEDYWQBSLC-UHFFFAOYSA-N 278.327 3.892 30 20 CHED C=CCCC1(C(=O)O)CCN(CCCCCC)CC1 1776169825 PQXRQPHDGIRUCD-UHFFFAOYSA-N 267.413 3.700 30 20 CHED COc1cc(/C=C2/CCCC(C)(C)C2=O)ccc1C(=O)O 1777285801 FBFKJZVENNSECV-XFXZXTDPSA-N 288.343 3.556 30 20 CHED Cc1oc(/C=C/C(=O)c2cccc(Cl)c2)cc1C(=O)O 1777559611 WNXPGXHOCMRWKE-AATRIKPKSA-N 290.702 3.836 30 20 CHED CCCn1c(C)cc(C(=O)COc2cccc(C#N)c2)c1C 8475258 NFNZOWGHPOAQEN-UHFFFAOYSA-N 296.370 3.648 30 20 CHED CSc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 23125248 QYXQCGFTRBNAJC-UHFFFAOYSA-N 268.341 3.532 30 20 CHED C[C@@H]1CCCN1c1ccc(C#N)c(C(F)(F)F)c1 34633250 JUTYYMJTESPIEB-SECBINFHSA-N 254.255 3.566 30 20 CHED CCCC[C@H](CC)C(=O)NC1(C#N)CCCCC1 40217383 KWGBSPQXVDFRLK-ZDUSSCGKSA-N 250.386 3.545 30 20 CHED N#Cc1cccc(CSc2nncc3ccccc23)c1 44157040 JHFYQLWRIRJSHB-UHFFFAOYSA-N 277.352 3.794 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)NCc1ccc(C#N)cc1 46043728 QRGIOHQELAMQTH-GFCCVEGCSA-N 299.399 3.522 30 20 CHED CC(C)Cc1ccc(CC(=O)Nc2ccccc2C#N)cc1 61195853 ALULHXAUGIHWIR-UHFFFAOYSA-N 292.382 3.938 30 20 CHED CN(CCCSCC#N)Cc1c(F)cccc1Cl 74980719 BGIREFHOOFKLEE-UHFFFAOYSA-N 286.803 3.558 30 20 CHED CC(C)[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N 78834973 JKYJSYDGLLASJW-LLVKDONJSA-N 283.297 3.597 30 20 CHED CC#CCSc1nnc(-c2ccc(Cl)s2)o1 78985703 XYVUQNBXFHBKQL-UHFFFAOYSA-N 270.766 3.567 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccc(Cl)n2)cc1 81550306 RIDRDBNZFKGUJX-UHFFFAOYSA-N 288.734 3.552 30 20 CHED N#Cc1ccccc1CNc1c(F)cccc1Cl 83442335 HPRUJDAXKMTJRY-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC(C)CN(CCC#N)CCSc1ccccc1 84439297 IHWRZGQQOMOBGU-UHFFFAOYSA-N 262.422 3.650 30 20 CHED CC[C@@H](C#N)OC(=O)c1sc2cccc(F)c2c1C 84714156 ARDJVMRAPFGRBW-VIFPVBQESA-N 277.320 3.808 30 20 CHED CCOc1cc(C#N)ccc1OCc1nc(C)c(C)s1 89090768 VDXKOGNYDRXKDZ-UHFFFAOYSA-N 288.372 3.609 30 20 CHED COc1ccc(CCCN(C)CC(C)(C)CCC#N)cc1 92163944 CVWFTKHMMASMDI-UHFFFAOYSA-N 288.435 3.890 30 20 CHED C=CCCSCC(=O)Nc1cc(C)c(Cl)cc1OC 96538763 VTKDONDMAQPYDS-UHFFFAOYSA-N 299.823 3.905 30 20 CHED C#Cc1cccc(N(C)C(=O)c2csc3c2CCCC3)c1 103102649 KQMXHFLDZKNLOH-UHFFFAOYSA-N 295.407 3.885 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(CC#N)cc1)C(C)C 104209493 JEJXPQSVEYRMPD-AWEZNQCLSA-N 258.365 3.763 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc2ccccc12 116931827 MRFAFEXDZYINRS-LBPRGKRZSA-N 254.333 3.926 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@@H](CC)CC2)c1 117440089 OZVIGXULEBLWQZ-CQSZACIVSA-N 270.376 3.712 30 20 CHED C=C[C@H](C)N[C@@H](C)c1sc(C(C)(C)C)nc1C 119350095 CJUAOXGNQVEVNK-UWVGGRQHSA-N 252.427 3.974 30 20 CHED C=CCN(C)Cc1c(C)nn(Cc2ccccc2)c1Cl 121569431 YWYBBDKRIZCHHW-UHFFFAOYSA-N 289.810 3.511 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2CCCc3sccc32)c1 123819779 SJUXMTLELCAFFV-MRXNPFEDSA-N 295.407 3.812 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(F)cc1C#N 126510948 LHECQWRLDKHSOG-NSHDSACASA-N 262.328 3.852 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1=CCCCC1 127090346 GSSUTTLXVBIDBD-UHFFFAOYSA-N 280.371 3.573 30 20 CHED Cc1cccnc1CNc1ccc(C(F)(F)F)c(C#N)c1 128763274 LLUPGZWUTMQDNV-UHFFFAOYSA-N 291.276 3.893 30 20 CHED N#CCC[C@H](NCc1cccs1)c1ccccc1 130406009 JWVKXIYVBGRIPG-HNNXBMFYSA-N 256.374 3.883 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1ccccc1OCC#N 130657030 ZEFIWZUOZGMSIN-ZDUSSCGKSA-N 288.391 3.534 30 20 CHED C=CCOc1cccc(CN(CC)CC(F)(F)F)c1 131478188 TWPFWYTVXZXCJA-UHFFFAOYSA-N 273.298 3.636 30 20 CHED COc1ccc(/C=C2/Cc3c(C)cccc3C2=O)cc1C#N 132652570 LEGSODAYNHQPEO-ZSOIEALJSA-N 289.334 3.698 30 20 CHED C=CCC[C@H](C)NCCc1ccc(Br)s1 134914900 CFJYGMCNUPVWER-JTQLQIEISA-N 288.254 3.997 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(OC2CCCC2)CC1 135000312 YMLZWZUSUVFWGA-QGZVFWFLSA-N 279.424 3.539 30 20 CHED C=C[C@@H](Cc1nc(-c2ccccn2)no1)c1ccccc1 136300441 XAOUVJCVXAMNBA-ZDUSSCGKSA-N 277.327 3.644 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@@H]2CC(C)C)c1 154125226 NXSADJLLCSKFQQ-MRXNPFEDSA-N 270.376 3.710 30 20 CHED C=CCCSCC(=O)N(C)[C@H](C)c1ccccc1OC 154972132 PZILVEDXIPTWCY-CYBMUJFWSA-N 293.432 3.524 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc2c3c(cccc13)CC2 157010901 SGEVBLRKKWSTMH-CQSZACIVSA-N 293.370 3.752 30 20 CHED Cc1csc(SCc2ccc(F)c(C#N)c2)n1 158131556 QGDGWQWNWYQXQT-UHFFFAOYSA-N 264.350 3.755 30 20 CHED N#Cc1cc(Cn2cc(-c3ccccc3)cn2)ccc1F 158608077 RJGYKAXVMPXQQB-UHFFFAOYSA-N 277.302 3.609 30 20 CHED C[C@@H]1SCCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C 162935775 QOXWJRFHHIGNME-MNOVXSKESA-N 280.824 3.537 30 20 CHED C[C@@H](NC(=O)C(C)(C)C#N)c1cc2ccccc2s1 171725039 AXRFHCNUYXJBNG-SNVBAGLBSA-N 272.373 3.628 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2cnn(CC)c2)cc1 171805886 IXSASMWOBFCWCF-BJMVGYQFSA-N 284.359 3.588 30 20 CHED C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C#N)cc1 172113130 OWADLMCTIIUIQM-CYBMUJFWSA-N 297.377 3.614 30 20 CHED C=CC[C@@H](C)NC(=O)c1c[nH]cc1-c1ccc(F)cc1 173799850 PHTHECXEZDDFFD-LLVKDONJSA-N 272.323 3.515 30 20 CHED N#CCC1(COC(=O)c2cccc(OC3CCCC3)c2)CC1 174751412 CEPAFUUXGYIKKI-UHFFFAOYSA-N 299.370 3.859 30 20 CHED CCC1(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 174958606 VZXWQUPWPZLAND-UHFFFAOYSA-N 299.418 3.668 30 20 CHED N#CCc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 175315668 IXJABBMTFODVES-ZBFHGGJFSA-N 283.375 3.549 30 20 CHED C[C@H](OC(=O)[C@@H]1CC=CCC1)c1ccc(C#N)cc1 175806276 HGFSISXUWPYHTJ-SWLSCSKDSA-N 255.317 3.519 30 20 CHED C#CCCCCC(=O)Nc1ccccc1OCC(F)(F)F 179675209 WBOLLSYVSQPEQQ-UHFFFAOYSA-N 299.292 3.760 30 20 CHED C#CCCCCC(=O)N(C)Cc1cccc2ccccc12 179724405 OFZPWWLKEPAXLC-UHFFFAOYSA-N 279.383 3.992 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCOc3c(F)cccc32)c1 180442311 WFHLLWOOFAOLCA-QGZVFWFLSA-N 296.345 3.701 30 20 CHED CC(C)Cn1cc(CN[C@@H](CCC#N)c2ccccc2)cn1 181810721 VMAKSRRUGSYTPL-SFHVURJKSA-N 296.418 3.674 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 182922574 SNHBIVVSNFTVNP-KGLIPLIRSA-N 284.403 3.731 30 20 CHED C=CCCC(=O)Nc1c(C)noc1-c1ccccc1 183377708 HNRUPCXVPYZXHK-UHFFFAOYSA-N 256.305 3.555 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CCSc2c(F)cccc21 185076446 FFEJWWZVWWUTIE-ZDUSSCGKSA-N 291.391 3.528 30 20 CHED C=CCCCC(=O)NCC1(c2ccccc2OC)CCC1 185913508 STWUNEXLTSTHTJ-UHFFFAOYSA-N 287.403 3.589 30 20 CHED C=CCC[C@@H](C(=O)Nc1nnc(C)s1)c1ccccc1 186096404 GPSZNMMWNJTHEB-CYBMUJFWSA-N 287.388 3.535 30 20 CHED C=CCC[C@@H](C(=O)NCC1CCC1)c1ccccc1 186644880 FZZKYOKBRVHMBD-MRXNPFEDSA-N 257.377 3.653 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc2ccc(C)nc12 188507172 HROWDCUVOKOVOP-SFHVURJKSA-N 298.386 3.711 30 20 CHED C=C(C)CN(C)C(=O)c1cc2ccccc2n1CCC 189256400 KTMFWJIBTRDFCZ-UHFFFAOYSA-N 270.376 3.699 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 191596913 GCKNHAUCYPJVIH-ZNMIVQPWSA-N 299.418 3.912 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccncc2)cc1Cl 194154117 SCLSVEBKSAPRAA-SNAWJCMRSA-N 257.720 3.940 30 20 CHED C[C@@H]1CC(=O)Oc2cc(OCCCC(C)(C)C#N)ccc21 194692291 LGALHWQMAHQBBC-GFCCVEGCSA-N 287.359 3.808 30 20 CHED CSc1ccc(Cl)c(C(=O)N[C@@](C)(C#N)C(C)C)c1 194935478 HEOBMPKCDZAHTE-AWEZNQCLSA-N 296.823 3.730 30 20 CHED C=CCC[C@H](NC[C@H]1CCN(Cc2ccccc2)C1)C1CC1 195137085 CGFKDNPZKZKIMV-QUCCMNQESA-N 298.474 3.843 30 20 CHED N#CCC1(COc2ccc(Cl)c3cccnc23)CC1 203546162 SRZNTENYTKTTJS-UHFFFAOYSA-N 272.735 3.961 30 20 CHED N#Cc1c(Cl)cccc1NCC[C@@H]1CCCCO1 223658031 XCOJJQPDWMSEIS-NSHDSACASA-N 264.756 3.583 30 20 CHED COc1cc(C#N)cc(OCc2ccccc2Cl)c1 234987495 ONADCUJLOYTFMR-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CC[C@H](C#N)NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 245699754 CEDWCJUKGKKGPR-BZUAXINKSA-N 294.439 3.560 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(C)Cc2cccc(C#N)c2)CC1 249090637 DBFHPKRIDFISFG-CZIWCDLHSA-N 284.403 3.733 30 20 CHED Cc1noc(C)c1CC/N=C\c1c(O)ccc2ccccc12 254968711 PYYFDBMQVHNHHL-ODLFYWEKSA-N 294.354 3.812 30 20 CHED Cc1ccc(/C=C2\CCc3nc(O)ccc3C2=O)c(C)c1 255491577 ZUZGXBWUFQDFGE-GXDHUFHOSA-N 279.339 3.617 30 20 CHED C=CCSc1nc2sc(C)c(C)c2c(=O)n1C(C)C 255931347 XRBRUDMVFFLFJD-UHFFFAOYSA-N 294.445 3.934 30 20 CHED CCCCOc1ccccc1NC(=O)N(CC)CCC#N 267452709 NMVOYHMSSKWXAK-UHFFFAOYSA-N 289.379 3.633 30 20 CHED C=C1CCN(C(=O)Cc2cccc3ccc(OC)cc23)CC1 270025523 PEYJCPVMGJPZLN-UHFFFAOYSA-N 295.382 3.570 30 20 CHED CC(C)[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 270340911 ZKGXXKCXZGNTIB-GOSISDBHSA-N 292.382 3.880 30 20 CHED C#CCCCNc1ccc(C(=O)N(CC)CC)c(Cl)c1 270948985 UXPFBRDDGJFROA-UHFFFAOYSA-N 292.810 3.647 30 20 CHED C=CCN(C(=O)Nc1cccc2ccc(C)nc12)C1CC1 271562722 PWAGYSXQHYCLOQ-UHFFFAOYSA-N 281.359 3.726 30 20 CHED C#CCCCN[C@H](c1c(F)cccc1F)C(F)(F)F 272514788 KLSUMHUWJQAYBD-GFCCVEGCSA-N 277.236 3.571 30 20 CHED C=CCN(CC=C)C(=O)c1cnn(C2CCCCC2)c1C 272669640 VQVDVZGWQXHRNN-UHFFFAOYSA-N 287.407 3.511 30 20 CHED CC[C@@H](CC#N)NCc1cc(C(F)(F)F)ccc1F 273823649 DHUSRQJRAVFREK-NSHDSACASA-N 274.261 3.626 30 20 CHED C=C(C)[C@H](Cc1nc([C@@H]2CCCC[C@H]2C)no1)OCC 273876959 NYXPTSWFCFICIX-MCIONIFRSA-N 278.396 3.887 30 20 CHED C=CCC1(C(=O)NC[C@H](C)c2ccccc2)CCC1 276537024 DGZHQZABZSCQIM-AWEZNQCLSA-N 257.377 3.653 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc(C)n2)CCCC1(C)C 278528011 ZTKUGCJJDCDBMM-HNNXBMFYSA-N 272.392 3.597 30 20 CHED C=CCC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 285394091 WWBJBOSQDSUJHQ-CZUORRHYSA-N 255.365 3.768 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CCO1 286590190 UAXWXSJKVULEGW-PSASIEDQSA-N 299.827 3.674 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(C#N)cs1 288539345 HHTNKBBXFPOKDP-WCQYABFASA-N 290.432 3.907 30 20 CHED COC[C@@H](NCCC(C)(C)C#N)c1cccc(Cl)c1 288838673 OKTXYXRZXULNBT-CQSZACIVSA-N 280.799 3.557 30 20 CHED C=CCC(C)(C)C(=O)NCCc1c[nH]c2cc(C)ccc12 292157571 FEYMOJZYDGELEL-UHFFFAOYSA-N 284.403 3.737 30 20 CHED CCOC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCCC1 293700102 LYJQUHALVYJYSG-ZDUSSCGKSA-N 290.382 3.697 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc(Cl)cc2)CC12CCCC2 294198924 GZYUXYRHPXGZLV-OAHLLOKOSA-N 274.751 3.753 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 294694713 UYOYDDLMELBAGM-UHFFFAOYSA-N 293.357 3.883 30 20 CHED CCO[C@@H]1C[C@@H](Nc2c(F)cc(C#N)cc2F)C12CCC2 301344235 JTXNDWQNOHVBSF-ZIAGYGMSSA-N 292.329 3.596 30 20 CHED C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)c2ccccc21 301520602 LCFQHEKGGCOUPV-SNVBAGLBSA-N 269.735 3.862 30 20 CHED N#Cc1ccccc1Oc1nc(C(F)(F)F)cs1 301722842 KPBXMGZDCJGWJR-UHFFFAOYSA-N 270.235 3.826 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1Nc1cccc(C#N)n1 301857829 RYJUICJUIGUHGF-GTNSWQLSSA-N 281.334 3.828 30 20 CHED CC(C)(C)Sc1ccc(Nc2ccc(C#N)nn2)cc1 301956238 FLJZMONNPUICMA-UHFFFAOYSA-N 284.388 3.982 30 20 CHED CC[C@H](C)Oc1cc(CNc2cccc(F)c2C#N)ccn1 302015004 BUVBTSNKKRMKMX-LBPRGKRZSA-N 299.349 3.882 30 20 CHED Cc1nc(NC[C@H]2CCC[C@H]2C)c(Cl)cc1C#N 310999995 MYYYDPOMZYAKCP-MWLCHTKSSA-N 263.772 3.763 30 20 CHED C[C@H](C#N)OCCNc1cc(Cl)cc(C(F)(F)F)c1 311553730 MHOMMCSSPFZQBI-MRVPVSSYSA-N 292.688 3.699 30 20 CHED CCOC1(C(O)=Nc2cc(C3CC3)nc(C)n2)CCCC1 328849129 BEGYALFKPMISIP-UHFFFAOYSA-N 289.379 3.600 30 20 CHED Cc1nc(CC/N=C(/O)C[C@@H]2CC[C@H](C)C2)c(C)o1 329035791 RCLAPUGOLFWNPZ-GXFFZTMASA-N 264.369 3.617 30 20 CHED CC1=C(/C(O)=N/[C@@]2(C#N)CCc3ccccc3C2)CCC1 329921815 FYFSRWKTUQZWTF-SFHVURJKSA-N 280.371 3.895 30 20 CHED CC1CCC(C)(NC(=O)CCc2ccc(C#N)cc2)CC1 330761609 NDPZGOMOIHPKKR-UHFFFAOYSA-N 284.403 3.576 30 20 CHED CO[C@@H]1CC[C@@H](/N=C(/O)Nc2cccc(SC)c2C)C1 330994938 LQTYEELEGKFOKW-VXGBXAGGSA-N 294.420 3.610 30 20 CHED CCC(CC)(C(=O)N[C@H]1CCC[C@@H]1C#N)c1ccccc1 331114952 KJODQKANOOFSHE-ZBFHGGJFSA-N 284.403 3.553 30 20 CHED CSc1ccc(Cl)cc1NC(=O)[C@]1(C#N)C[C@H]1C 334517868 OKUWMQNHXUEINM-OQPBUACISA-N 280.780 3.550 30 20 CHED N#Cc1csc(CN[C@@H]2CCc3sc(Cl)cc32)n1 334594405 VQHGBFSGGQLIFU-SECBINFHSA-N 295.820 3.507 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1scnc1C(C)C 334727564 UPDQLPZQPNWLRH-LLVKDONJSA-N 279.409 3.839 30 20 CHED CC1(C#N)CCC2(CC1)Nc1ccccc1C(=O)N2C1CC1 334883014 MUORDZDZSSQKDS-UHFFFAOYSA-N 295.386 3.517 30 20 CHED CSc1cc(NC(=O)[C@@]2(C#N)C[C@H]2C)ccc1Cl 335641609 UNNMMFRAFHRWOJ-AMIZOPFISA-N 280.780 3.550 30 20 CHED C[C@H]1Oc2cc(F)ccc2[C@H]1NC1CCC(C)(C#N)CC1 336219287 KNNGZLKGZMFKHI-OWWUSRRYSA-N 288.366 3.710 30 20 CHED C=CCOCCN(C)[C@H](C)c1cc2ccccc2o1 338881242 QZDHXLIZEDEDOM-CYBMUJFWSA-N 259.349 3.628 30 20 CHED COc1ccc(-c2nnc(S[C@H](C)CCC#N)o2)cc1 340572407 XCJNGBZJNDRGOK-SNVBAGLBSA-N 289.360 3.530 30 20 CHED C=CCCN(C)C(=O)c1occc1-c1ccccc1 342016169 WJFSMQORCLQCPX-UHFFFAOYSA-N 255.317 3.595 30 20 CHED CC[C@@H](Nc1cc(C#N)ccn1)c1ccc(F)cc1F 342367620 FCWLDFASIYBBCQ-CQSZACIVSA-N 273.286 3.795 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCC(C)(C)C 342392909 JMVNJCGEVZLKAB-UHFFFAOYSA-N 293.407 3.503 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@@H](C)c1ccco1 342612408 COQRDMBPSNIJNH-AWEZNQCLSA-N 279.380 3.562 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCc2ccccc21 342634930 TUIFNJUPQOCDNT-QGZVFWFLSA-N 287.403 3.553 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCCOc2ccc(F)cc21 344059588 ZHVSUVVWECIDLQ-WMLDXEAASA-N 291.366 3.758 30 20 CHED CCO[C@H]1C[C@@H](NCc2cc(C#N)cs2)C1(CC)CC 344693279 IRWHNIOZYILTKG-CABCVRRESA-N 292.448 3.693 30 20 CHED N#CCCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 345143586 CZRXJNRTTDYPFC-UHFFFAOYSA-N 290.794 3.572 30 20 CHED Cc1ccccc1[C@@H](C)c1noc(CC(C)(C)C#N)n1 346756696 ULDLTQWBHBMJDU-GFCCVEGCSA-N 269.348 3.622 30 20 CHED N#CCc1ccc(CN2Cc3cccc(Cl)c3C2)cc1 347471273 WBNYTNUDMNJILM-UHFFFAOYSA-N 282.774 3.922 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCC(C)(C)[C@H]1CC=C 347481728 KGSAZWIZKGOOJN-LSDHHAIUSA-N 279.424 3.561 30 20 CHED N#Cc1cccc(C(=O)NCc2cc3ccccc3s2)c1 347644277 DODGAGAPCZLETO-UHFFFAOYSA-N 292.363 3.703 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccccn1 350720883 QPULNCUJBPUNMX-UHFFFAOYSA-N 279.387 3.611 30 20 CHED Cc1occc1CN(C)C(=O)C[C@@H](CC#N)c1ccccc1 355038815 NQOZXZOIZIZCAP-MRXNPFEDSA-N 296.370 3.634 30 20 CHED C=CCCC1(C(=O)Nc2cnn(-c3ccccc3F)c2)CC1 356344181 FDFYHYOPHCAPGT-UHFFFAOYSA-N 299.349 3.696 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)c2ccccc21 356988972 YQLNRKSECQXDGE-LLVKDONJSA-N 254.358 3.743 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)[C@H]1CC[C@H](C)C1 359257931 XFYYWWXASVJINL-ZFWWWQNUSA-N 288.439 3.747 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](c1ccccc1)[C@H](C)CC 359397295 XXVSLIKBHFRNEE-NVXWUHKLSA-N 284.403 3.745 30 20 CHED Cc1ccc(C#N)c(NCc2cc(-c3ccccc3)no2)n1 359450898 ZDQVJPIIXYSNSD-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CC(C)OCCCN[C@@H]1CCCCc2cc(C#N)ccc21 360655219 CHLBHPBUIZYMIB-GOSISDBHSA-N 286.419 3.730 30 20 CHED C=CCN(CC=C)C(=O)c1nc(C)sc1-c1ccccc1 361447859 SLGXXFQCTIYGMT-UHFFFAOYSA-N 298.411 3.933 30 20 CHED COC1(CN(CCC#N)CC(C)(C)C)CCCCC1 361570113 AGJNNLJWMBIYAF-UHFFFAOYSA-N 266.429 3.597 30 20 CHED COCCN(Cc1ccc(CC#N)cc1)C[C@H]1CC=CCC1 362234174 HBAQFQZZEZGOSO-SFHVURJKSA-N 298.430 3.557 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)cc1 362963883 PYWUUWJBDJGXRY-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C=CCCCCNC(=O)N1CCc2c([nH]c3ccccc23)C1 368813201 DHPCXTDKHBMIFA-UHFFFAOYSA-N 297.402 3.592 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](OCC2CC2)C1 372297996 XBRLEYXONFVMRW-RDTXWAMCSA-N 284.403 3.510 30 20 CHED C[C@@H]1CCN(C(=O)NCCCCC#N)CC12CCCCC2 373327740 ZBROZYBIIBMIEX-OAHLLOKOSA-N 291.439 3.682 30 20 CHED N#Cc1cccc(NC[C@@H]2CCCCC2(F)F)c1[N+](=O)[O-] 391054747 INUVMPLPIUPTQN-NSHDSACASA-N 295.289 3.704 30 20 CHED CC(C)(C#N)CNCc1ccccc1OCc1ccccc1 405172813 PBGVWGJEDXRPQM-UHFFFAOYSA-N 294.398 3.905 30 20 CHED COc1ccc(C[C@H]2CCCN([C@@H](C)CCC#N)C2)cc1 411305247 DYQQWMIQQFOIRR-DOTOQJQBSA-N 286.419 3.642 30 20 CHED Cc1ccc(C(=O)NCCCCC#N)c2ccccc12 412009307 NNMYNWDJYARCBQ-UHFFFAOYSA-N 266.344 3.572 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC2CC2)c2ccccc12 412172260 FQRLUOKAUIJSKL-UHFFFAOYSA-N 292.382 3.914 30 20 CHED C[C@@H](CNc1ncc(C#N)cc1Cl)CC(F)(F)F 413532784 NOQSZIYQPSDWRM-SSDOTTSWSA-N 277.677 3.607 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCCCc2cc(C#N)ccc21 414163130 IDHDLYMCBKRXGM-QGZVFWFLSA-N 281.403 3.855 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1c(CC)oc2ccccc12 417634993 ZUFIEPPWCFWCAA-LBPRGKRZSA-N 287.359 3.504 30 20 CHED C=C(C)[C@@H](NC[C@@H](CC)OC)c1ccc(F)c(F)c1 419283827 ZPEYHUVRWDJAAJ-IUODEOHRSA-N 269.335 3.597 30 20 CHED CC[C@@H](C)CNC(=O)Nc1ccc(CC#N)cc1Cl 421114976 POHWBHVEIKPACH-SNVBAGLBSA-N 279.771 3.574 30 20 CHED N#CCCC[C@H](NC(=O)[C@@]12CCC[C@@H]1C2)c1ccccc1 421572775 FOBTXOADKSOXJU-SOLBZPMBSA-N 282.387 3.728 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCCc2sccc21 426237724 JIXOCWSRVHXCTP-GXTWGEPZSA-N 290.432 3.876 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)C/C(C)=C/c1ccccc1 427224066 QOZDUXKQDRQBLK-QJPKHSJYSA-N 287.403 3.530 30 20 CHED C[C@H]1CN(Cc2ccc(CC#N)cc2)Cc2ccccc2O1 429159377 LTKMIDLGVXOHPT-HNNXBMFYSA-N 292.382 3.536 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2ncsc2c1 432004546 AVZZDZDYEZCPID-UHFFFAOYSA-N 260.362 3.837 30 20 CHED C=CCCCCCN(CCOC)[C@H]1CCCSC1 433202046 YSXBZULTQNYEDO-HNNXBMFYSA-N 271.470 3.577 30 20 CHED C=CCCCCCN(C)C(=O)c1cnn(CCCC)c1C 435084992 FVRCNFGASRRTTH-UHFFFAOYSA-N 291.439 3.810 30 20 CHED C[C@@H](CNc1c(C#N)cccc1C#N)c1ccccc1 436275410 OTGRQFPXVZQKDO-ZDUSSCGKSA-N 261.328 3.646 30 20 CHED C=CCCCCN[C@H](CCn1cncn1)c1ccc(C)cc1 437033018 ZTXUWECUCHAATL-GOSISDBHSA-N 298.434 3.664 30 20 CHED C[C@@H]1CC[C@@H](C)N1CC#Cc1ccc(OC(F)(F)F)cc1 438536016 ULPANHCRPUOBON-CHWSQXEVSA-N 297.320 3.810 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N(C)c2ccc(C#N)cc2)C1 439933799 OXNZMAYXFCACIK-UKRRQHHQSA-N 270.376 3.737 30 20 CHED C=C(C)CN(CC)Cc1cn(C)nc1-c1ccc(F)cc1 449002375 KJBLJWYTFJBXHF-UHFFFAOYSA-N 287.382 3.624 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@H]2CCC[C@H]2c2ccccc2)C1 449404387 ZKYVEVPXNZHJFE-BGTYHANMSA-N 268.404 3.852 30 20 CHED C=CCC1(C(=O)N2CCCC[C@@H](COC)C2)CCCCC1 450683063 PXDRPKBDYBEIKV-MRXNPFEDSA-N 293.451 3.788 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCC[C@@H]2CCOC2)c1 450889477 QZCKLXDGDBZOQM-LLVKDONJSA-N 298.308 3.806 30 20 CHED C=CC(C)(C)CNC(=O)CCSc1ccc(F)cc1 452776421 KOZPLRZFNARRLX-UHFFFAOYSA-N 281.396 3.636 30 20 CHED C=CCC[C@H](CO)N[C@@H](CC)c1cc(Cl)ccc1OC 453376400 XBNJABSWDRUFPF-HIFRSBDPSA-N 297.826 3.716 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cn(-c2ccccc2)nc1C 455096877 JPFSINKQNGVRFE-UHFFFAOYSA-N 298.390 3.514 30 20 CHED C[C@@H]1CC=C(C(=O)N(CCC#N)CC(C)(C)C)CC1 455467622 TUAXDUYYKRDMEI-CYBMUJFWSA-N 262.397 3.521 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc(Cl)cc1 459734568 RUKWZACFDSMGLV-NSHDSACASA-N 250.773 3.930 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2c(F)cccc2Cl)C1 463285716 TWTUKLDTXIUCMC-WDEREUQCSA-N 266.747 3.651 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC(C)(CC)C2)c1 463761737 WMMRXDFXLIDEHY-UHFFFAOYSA-N 288.391 3.905 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(OC2CCCC2)c1 465156342 OMSYKLKTTZPFOV-GFCCVEGCSA-N 274.364 3.704 30 20 CHED N#Cc1cccc(CCN[C@@H](c2ccc(F)cc2)C2CC2)c1 467440196 ZYPSUCUZFNISFW-LJQANCHMSA-N 294.373 3.981 30 20 CHED CCC[C@H]1CCC[C@@H]1NCCc1cccc(C#N)c1 467445924 MQJPCRQRUPIZQS-IRXDYDNUSA-N 256.393 3.659 30 20 CHED C=CCC[C@@H](CC)NC[C@H](CO)CC1CCCC1 467451173 ZGMSQJPVQKQWGX-HZPDHXFCSA-N 253.430 3.510 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc2c1OCC2(C)C 468765065 AUCZVASEPXUTFC-ZDUSSCGKSA-N 285.387 3.537 30 20 CHED C=CCOCCCN(C)[C@@H](C)Cc1ccc(Cl)cc1 470766161 OLVVSYHVMCUKRO-AWEZNQCLSA-N 281.827 3.796 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC1CC(C)C1 471994091 YUIPEQGQNJDDPG-UHFFFAOYSA-N 272.392 3.573 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1COc2cc(C)c(C)cc21 472393545 BODDLHAXBDBRLB-HOCLYGCPSA-N 287.403 3.640 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc(OCC)cc1)C(C)C 472790310 KSNTUWGCDKJSGG-KRWDZBQOSA-N 291.435 3.623 30 20 CHED C=CCCCCNC(=O)Nc1ccc(Br)cc1 473515987 XBWQFWUXCCAGMV-UHFFFAOYSA-N 297.196 3.927 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1CC 474090908 UYCTYPFXBXSUPF-GJZGRUSLSA-N 266.429 3.953 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1oc2ccccc2c1OC 474990040 XSEXZZMWAISVDZ-QGZVFWFLSA-N 287.359 3.660 30 20 CHED C=C(C)CS[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 477012608 PYYBSTNRMAOUDV-XJFOESAGSA-N 269.454 3.625 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 484224150 OTOXZPCNDXYWGB-ZIAGYGMSSA-N 266.429 3.809 30 20 CHED Cc1cc(C)c2c(c1)CN(Cc1ccc(CC#N)cc1)CC2 485860717 DHTHORRACAAPEN-UHFFFAOYSA-N 290.410 3.928 30 20 CHED C=CC[C@H](C(=O)N(C)[C@H](C)C(C)C)c1ccccc1 487692528 MRZPWPBVEHQXLM-ZBFHGGJFSA-N 259.393 3.849 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(C#N)s1 487768957 DNUYTBRDHUDNSO-PWSUYJOCSA-N 276.405 3.564 30 20 CHED CCN(CCC#N)C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 488743427 AFPSDFDOVYOEQO-CABCVRRESA-N 284.403 3.738 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2nc(C)sc2c1 488813932 IFPLPSQDCFRPBT-CYBMUJFWSA-N 286.400 3.785 30 20 CHED N#Cc1ccc(NC(=O)/C=C\c2ccsc2)c(Cl)c1 492232004 OAESDSTWWZMNCI-RQOWECAXSA-N 288.759 3.925 30 20 CHED C[C@H](CCCC(F)(F)F)NCc1ccc(C#N)s1 494836697 KAGMSRBAKBSGCA-SECBINFHSA-N 276.327 3.830 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1(CC)CCOCC1 498182429 NSYPEDDMIBQEAH-UHFFFAOYSA-N 293.451 3.788 30 20 CHED CC#CCCNC(=O)c1ccc(-c2ccccc2Cl)o1 498610275 LMMLOHFMJXTBTJ-UHFFFAOYSA-N 287.746 3.743 30 20 CHED CCCc1ccccc1NC(=O)Cc1c(F)cccc1C#N 505344207 OAEUAAFJVZOOKY-UHFFFAOYSA-N 296.345 3.831 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1ccc(Cl)cc1C#N 511411725 BWSATOKGODDKMI-MFKMUULPSA-N 264.756 3.581 30 20 CHED C=C1CCN(C(=O)Cc2c(CC)oc3ccccc23)CC1 528428921 HUCCJAIKZMNDTE-UHFFFAOYSA-N 283.371 3.716 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C 528802663 BZHPZMDTLSXKTN-ZBFHGGJFSA-N 284.403 3.721 30 20 CHED CC#CCNC(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 534207313 QGXTUJWNYQYVMF-AWEZNQCLSA-N 298.386 3.939 30 20 CHED C=C[C@H](CC(=O)N1C[C@H](C)C[C@H]1C)c1ccccc1 534669246 ZXIRMZYSLYYMFT-RBSFLKMASA-N 257.377 3.603 30 20 CHED COC(=O)c1cccc(CNc2ccc(C)cc2C)c1C#N 535892214 QHKMEGYWGRWYEE-UHFFFAOYSA-N 294.354 3.574 30 20 CHED CC[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CC1 536875363 IKFKFEHHVXUSDP-OAHLLOKOSA-N 281.321 3.835 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 540193390 STUZULXHGZWYQN-ZDUSSCGKSA-N 295.423 3.872 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)cc1F 540620897 GTKRPSHVCMCSSO-JTQLQIEISA-N 269.747 3.954 30 20 CHED N#Cc1ccc(CN2CCCc3c(F)cccc32)s1 541881229 SPWPNYVIOQBXFY-UHFFFAOYSA-N 272.348 3.712 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 544035161 ZWQMIRFEGGCVHZ-LJISPDSOSA-N 264.413 3.609 30 20 CHED Cc1ccc2c(c1)CN(CCCSCC#N)C(C)(C)C2 550001360 SBEALPIUDONATA-UHFFFAOYSA-N 288.460 3.779 30 20 CHED C=CCCc1ccccc1NC(=O)c1ncc(C#N)cc1C 556842544 UPEOGSYTBYHWRG-UHFFFAOYSA-N 291.354 3.633 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 558579820 ZVVNIQFBFKMCGZ-ISVAXAHUSA-N 297.185 3.720 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cc(F)ccc1Cl 560581979 BXPZIJBYJDSYNT-UHFFFAOYSA-N 283.734 3.540 30 20 CHED COc1cncc(/C=C\CCN2CCC(CCC#N)CC2)c1 567791254 LMWLHASJIIULTM-DJWKRKHSSA-N 299.418 3.509 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1c(F)cccc1Cl 568760542 XPDDRBSEQYODHK-SECBINFHSA-N 270.735 3.955 30 20 CHED N#Cc1ncc(NCc2cnc(C3CC3)s2)cc1Cl 568952571 YOFBVZJTPVYJFK-UHFFFAOYSA-N 290.779 3.553 30 20 CHED C=CCn1cccc1C(=O)N(C)c1cc(Cl)ccc1C 574307340 ZWDCKSHRZRSMCO-UHFFFAOYSA-N 288.778 3.913 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccccc1OC(C)C 578291547 LKYXLQWESSBGNX-ZDUSSCGKSA-N 275.392 3.863 30 20 CHED C=CCC[C@H](CC)NC[C@H](CO)c1ccccc1Cl 579101720 HDGOCBIWRQFUAZ-KGLIPLIRSA-N 281.827 3.750 30 20 CHED Cc1cc(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc(C#N)n1 581079261 WKGGSPDEHQFWQX-DZGCQCFKSA-N 295.361 3.783 30 20 CHED CC(C)CC1(C)CCN(C(=O)CC(C)(C)C#N)CC1 584751572 ADBDYJYMGHZEGX-UHFFFAOYSA-N 264.413 3.601 30 20 CHED CC(C)Oc1ccccc1CNC(=O)CCCCCC#N 588152674 KNNBCBJFTMLUKX-UHFFFAOYSA-N 288.391 3.564 30 20 CHED C[C@H](NCc1cccc2c1CCC2)c1cccc(C#N)c1 593601994 NFMWPVAJCIELGS-AWEZNQCLSA-N 276.383 3.898 30 20 CHED C=C(C)CSCc1ncsc1Br 596345906 CKTNVEBBPKVRPI-UHFFFAOYSA-N 264.213 3.715 30 20 CHED N#CC1(CC(=O)N2CCC[C@@H]3CCC[C@H]32)CCCCC1 597298786 BMTUHZPOUAGHQL-LSDHHAIUSA-N 274.408 3.642 30 20 CHED C[C@@H]1N(C(=O)c2ccc(C#N)s2)c2ccccc2C1(C)C 598276124 RAUYCRKEVXZDSK-NSHDSACASA-N 296.395 3.946 30 20 CHED CC(C)CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)C(C)(C)C 598600502 FOKXNIJSQAETBB-LSDHHAIUSA-N 282.472 3.728 30 20 CHED CC(C)c1cnc(S[C@H](C#N)c2ccccc2)[nH]1 600582871 BQWVMRLFGBFLED-CYBMUJFWSA-N 257.362 3.890 30 20 CHED C[C@@H](CCC#N)CNCCc1csc(-c2ccccc2)n1 602502266 KXMANFVXWJDWLT-AWEZNQCLSA-N 299.443 3.882 30 20 CHED CC(C)Oc1ccc(CN[C@H](C)CC#N)cc1Cl 602871690 UPDVXCGVTUBRJJ-LLVKDONJSA-N 266.772 3.519 30 20 CHED C[C@H](CC#N)NC(=O)c1sc2cc(F)ccc2c1Cl 604573829 XLOXPUPCBCIEIN-SSDOTTSWSA-N 296.754 3.726 30 20 CHED Cc1ccc2[nH]c(C(=O)N(CCC#N)CCC(C)C)cc2c1 609142922 DBQKYRFCYNQFRB-UHFFFAOYSA-N 297.402 3.878 30 20 CHED C=CCOc1ccccc1CNc1ccsc1[N+](=O)[O-] 609513198 LMSOWDRVLXNYBE-UHFFFAOYSA-N 290.344 3.833 30 20 CHED CC[C@H](CC(=O)N[C@@H](C#N)CC(C)C)c1ccc(C)cc1 609988555 GAVNURYIUGEXHX-NVXWUHKLSA-N 286.419 3.933 30 20 CHED C[C@H](Sc1ccc(C#N)cc1F)c1ccncc1 610218823 ZQTSFMPFECVGBZ-JTQLQIEISA-N 258.321 3.946 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N(C)c2ccc(C#N)cc2)C1(C)C 610252688 HXDNLRMREMNBND-HZPDHXFCSA-N 282.387 3.759 30 20 CHED CN(C(=O)C[C@@H]1CCc2ccccc21)c1ccccc1C#N 611072488 LMDHOCKFLDTZHR-HNNXBMFYSA-N 290.366 3.641 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C1(c2ccccc2)CCCC1 611250911 OOKKQRLBKZRLRW-MRXNPFEDSA-N 284.403 3.553 30 20 CHED C[C@H](NCc1nc2ccccc2o1)c1cccc(C#N)c1 611388619 LGJOKTXFSNIRIO-LBPRGKRZSA-N 277.327 3.550 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1nccc(C)c1C#N)CC2 612077903 WSKAHJWNFMZXCK-INIZCTEOSA-N 263.344 3.670 30 20 CHED CC(C)CC1(C(=O)N2CCC[C@@](C)(C#N)C2)CCCC1 612364932 FLPULHVUZDNSMP-INIZCTEOSA-N 276.424 3.745 30 20 CHED C[C@H](NC(=O)N[C@H]1CCC[C@@H](C)CC1)c1cccc(C#N)c1 615475063 FHVIUTSQURWJRR-KEYYUXOJSA-N 299.418 3.887 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCc1ccccc1F 615926598 VXYWYOZWDNUZCS-UHFFFAOYSA-N 290.382 3.689 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccoc2C2CC2)C1 617779792 IWTMLHAYSHQIAA-GFCCVEGCSA-N 259.349 3.585 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@H](CC=C)C1 617787291 LBFLEARWIZEQOI-OAHLLOKOSA-N 285.387 3.680 30 20 CHED C[C@H](CC1CCCC1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618734279 BVLVGPXZRTTXHW-ACJLOTCBSA-N 296.414 3.878 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccsc1 619759006 GCRINXRTELDNJS-NEPJUHHUSA-N 299.399 3.741 30 20 CHED C=CCOCCCC(=O)Nc1ccc(OC)c2ccccc12 628927402 CKXVPFPXYLQHHO-UHFFFAOYSA-N 299.370 3.770 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(OC)cc1Cl 644963331 POFXPCHUSVPBQV-UHFFFAOYSA-N 281.783 3.681 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CC[C@](O)(C(F)(F)F)C1 648592692 TVMZMKKAOSGLCN-RWMBFGLXSA-N 279.346 3.557 30 20 CHED C=CCC1(C(=O)N2C[C@@H](CC)OC[C@@H]2C)CCCCC1 650472218 ALNDXKPIMULCFA-LSDHHAIUSA-N 279.424 3.539 30 20 CHED C=CCCNC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 665942928 KXILODGLUWNQCT-IAGOWNOFSA-N 282.387 3.592 30 20 CHED C=CCC[C@H](CCC)Nc1cnc2c(c1)COCC2 679092779 SYOFOUPKQSSEBU-AWEZNQCLSA-N 260.381 3.701 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1CC#Cc1ccc(F)cc1 679542726 BNLCYKFMVIGVLQ-JSGCOSHPSA-N 299.311 3.840 30 20 CHED CCc1cc(Nc2nc(C)ccc2C#N)ccc1F 690111326 UAJZNDFLZASOEU-UHFFFAOYSA-N 255.296 3.707 30 20 CHED CC(C)(C#N)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 718004374 CLDCAOHWFQHQSS-HZPDHXFCSA-N 286.419 3.510 30 20 CHED CCO[C@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 721157337 FLENSPWPGSKEFN-CVEARBPZSA-N 258.365 3.512 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C=C(C2CC2)C2CC2)cc1 726940422 SPCMGQCOVAIQSK-UHFFFAOYSA-N 294.398 3.988 30 20 CHED CC(Cc1ccsc1)=NNC(=S)Nc1ccccc1 729632799 IAXWLWAQRVWRNJ-UHFFFAOYSA-N 289.429 3.653 30 20 CHED C#CCOc1cccc(COC(=O)/C=C/c2cccs2)c1 730402309 AORPCHOWVLNJNZ-CMDGGOBGSA-N 298.363 3.517 30 20 CHED CCc1ccc(/C=C2/Cc3c(O)cccc3C2=O)s1 731156269 CKQFTVIOYGPLSP-NTMALXAHSA-N 270.353 3.839 30 20 CHED C=CCCOC(=O)CCCCCc1cccs1 731546046 CTNWYFPZJFSWFI-UHFFFAOYSA-N 252.379 3.970 30 20 CHED CC(=NNc1nccnc1Cl)c1cc(C)sc1C 733079385 JDMPFZYZYPYWCI-UHFFFAOYSA-N 280.784 3.644 30 20 CHED CCCC[C@@H](CC)C(=O)OCc1ccc(OCC#N)cc1 733452269 WKWARIGIHBDYFK-OAHLLOKOSA-N 289.375 3.849 30 20 CHED CC(C)[C@H](OC(=O)c1cccc(CC#N)c1)c1ccccn1 733689593 BFTORFKUDDKLDM-KRWDZBQOSA-N 294.354 3.702 30 20 CHED CCC/C=C\C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 735209297 YOACXDOURNFWGB-ZFDPJTLLSA-N 297.383 3.738 30 20 CHED C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 741466474 SRXSBSNFVLSHLD-FFCYNSPCSA-N 276.336 3.688 30 20 CHED CCO[C@@H]1CC(=NOCc2ccccc2)C12CCCC2 743434053 JQSFBJCXBULXIV-MRXNPFEDSA-N 273.376 3.928 30 20 CHED Cc1oc(-c2ccccc2)nc1C(=O)OCC1(CC#N)CC1 744277260 FDPVVQJSKNSJLS-UHFFFAOYSA-N 296.326 3.501 30 20 CHED CC#CCOC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 745069631 YILLLGUDVDXXTG-NSHDSACASA-N 284.277 3.766 30 20 CHED CO[C@@H](C)C(C)=NOCc1ccc(C(F)(F)F)cc1 746576168 LRFLNBNAJBWRPA-JTQLQIEISA-N 275.270 3.633 30 20 CHED C#CC(C)(C)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 746602522 FTCGOHJYMHKHOO-VIFPVBQESA-N 284.186 3.625 30 20 CHED C#Cc1ccc(C(=O)O[C@H]2CCCCc3ccccc32)cn1 747441253 ZTTNDCYUWUWHIL-SFHVURJKSA-N 291.350 3.687 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)cc2C)c(F)c1 748905539 ATLMIIIHARSZSM-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C\c2cccc(OC)c2O)C1 749007307 DQMUSLIEUIKCPZ-VWSNEOMBSA-N 293.432 3.884 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C1CCCC1(C)C 749855559 OPLKAAGOIQRCTP-UHFFFAOYSA-N 277.324 3.581 30 20 CHED C[C@@H](CCc1ccccc1)OC(=O)c1ccc(C#N)s1 750395247 OSKZIFCDKLXEOA-LBPRGKRZSA-N 285.368 3.798 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)nnn3C)c(C)s1 751033849 VQHDKCCZLXDHCI-ALCCZGGFSA-N 297.383 3.543 30 20 CHED CC[C@H](C#N)OC(=O)c1oc2ccccc2c1CSC 753422508 PNPYRCSIIBFSFG-SNVBAGLBSA-N 289.356 3.755 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)OCC1(C#N)CC1 753565679 PLZGSINQDUPHAE-KBPBESRZSA-N 283.371 3.823 30 20 CHED C=CCCN[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 754181828 HVQMWGWZRHDHNN-OAHLLOKOSA-N 296.455 3.626 30 20 CHED C=CCC[C@H](C)Nc1ccc(OCc2nc(C)no2)cc1 757610784 LOVWNIMTZHLOFF-LBPRGKRZSA-N 287.363 3.724 30 20 CHED C=CC[C@@H](NC(=O)c1cc(Cl)cs1)c1ccncc1 758366127 UCDVWIBWUMAFFU-GFCCVEGCSA-N 292.791 3.844 30 20 CHED C#CCCCCNC(=O)NCC1(Cc2ccccc2)CCC1 758844957 PVGASSDTKKIVJF-UHFFFAOYSA-N 298.430 3.502 30 20 CHED C#CCOc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 761783075 MMLRSWXUFXTSSM-UHFFFAOYSA-N 294.285 3.555 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc(F)cc1C 761885472 USWAIGHDZAOPTG-UHFFFAOYSA-N 276.286 3.728 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(C=C)cc2)c1 763251458 WMDDMYDJGWAXLK-UHFFFAOYSA-N 277.323 3.594 30 20 CHED C#CCCCN[C@@H](CC)c1cccc(Cl)c1F 763538762 NFDDUGNZYFTYST-ZDUSSCGKSA-N 253.748 3.933 30 20 CHED CCC[C@@H](C(=O)OCc1ccccc1C#N)C(C)C 763845079 HIIICVBEBUEJTD-OAHLLOKOSA-N 259.349 3.674 30 20 CHED O=[N+]([O-])c1ccc(C=NOCCCC2CCCC2)o1 764544285 WNWFTQCGEKTGDI-UHFFFAOYSA-N 266.297 3.509 30 20 CHED CC(CCCC(C)C)=NNc1cncc(Cl)n1 764682719 HLUIBWUDESCOPA-UHFFFAOYSA-N 254.765 3.744 30 20 CHED CC(CCc1ccsc1)=NNc1ccc(F)cn1 764909591 JGQRDODOEQXOCO-UHFFFAOYSA-N 263.341 3.703 30 20 CHED C[C@@H](CSC(C)(C)C)NCc1ccc(C#N)cc1 765016738 YXPKYRNYVKIETP-LBPRGKRZSA-N 262.422 3.568 30 20 CHED Cc1ccc(O[C@@H](C)C(=O)Oc2ccc(C#N)c(C)c2)cc1 765097273 BUIXANURYUFOBM-AWEZNQCLSA-N 295.338 3.548 30 20 CHED CC1(C)CCCC(=NNc2nc3ccccc3[nH]2)C1 767748156 AIPSODIAVUWEDH-UHFFFAOYSA-N 256.353 3.931 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@@H](C)Oc1cccc2ccccc12 768002010 OUQJFLMBHTYKSX-ZBFHGGJFSA-N 295.382 3.525 30 20 CHED CC[C@@H](NCCCCC#N)c1ccc2c(c1)CCCO2 768100453 AKPAFXNEMJORHD-MRXNPFEDSA-N 272.392 3.746 30 20 CHED C=CCCOCC(=O)O[C@H](c1ccc(F)c(F)c1)C(C)C 768864230 AMGLZDUEDXGGRW-INIZCTEOSA-N 298.329 3.798 30 20 CHED CC1(C)CCC(C=NNCc2ccc(C#N)cc2)CC1 769815834 PXJTYGAHEMFXLN-UHFFFAOYSA-N 269.392 3.850 30 20 CHED COc1cc(Cl)ccc1NCc1cc(C#N)ccc1F 774368954 JCVYTWSHKOCVDN-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CNCc1cc(C#N)ccc1F 775311522 UOHPOEHOXQPIOP-XJKSGUPXSA-N 272.367 3.779 30 20 CHED O=C(/C=C\c1nc2c(s1)CCCC2)c1ccccc1 776262567 JCONUJBWWKVZOO-KHPPLWFESA-N 269.369 3.918 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1SCCc2ccccc21 776392125 VFKRLYYGUMVRBA-AWEZNQCLSA-N 289.400 3.500 30 20 CHED CC(=O)c1ccccc1C(=O)O[C@@H](C#N)C1CCCCC1 776396364 HEDJGUDXAUONOM-INIZCTEOSA-N 285.343 3.518 30 20 CHED CC(C)[C@H]1CCCC1=NNc1cc(Cl)ccn1 777906364 INCMSBUWICLNCL-LLVKDONJSA-N 251.761 3.959 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)s1 777916057 UFHORSWYHBPFEV-GQCTYLIASA-N 291.303 4.000 30 20 CHED Cc1cc(Cl)cc(C)c1/C=C\C(=O)c1cnn(C)c1C 778519510 RQLMAPKTRZEVSM-WAYWQWQTSA-N 288.778 3.895 30 20 CHED CCCC(CCc1ccccc1)=NNCCOC(C)C 778547829 LNHXOPDZSDETBA-UHFFFAOYSA-N 276.424 3.790 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 779948498 BCHDKYJPBMMKHE-IRXDYDNUSA-N 293.451 3.670 30 20 CHED C#CCCCCCC(=O)N1CCCC[C@@H]1CC(C)C 779982044 WIRUNOHOPMNCNX-MRXNPFEDSA-N 263.425 3.997 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1cc(C)c(F)c(C)c1 780246761 KBJWHQNXJCLDOW-HNNXBMFYSA-N 292.398 3.714 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1Cl 780251543 VIWVXUWTXNDGRG-GFCCVEGCSA-N 298.789 3.750 30 20 CHED CC1(C=NNc2c(F)cc(F)cc2Br)CC1 782240609 VNWNYTQJCRZLAB-UHFFFAOYSA-N 289.123 3.925 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCc1ccsc1 783447368 DXEFTNKSUDOVSX-CYBMUJFWSA-N 265.422 3.932 30 20 CHED Cn1cc(C=NNCCC(C)(C)C)c(C2CCCCC2)n1 783863382 YQVZTCYFZPGLRR-UHFFFAOYSA-N 290.455 3.828 30 20 CHED C#CCCCNc1cc(F)c(OC(C)C)c(F)c1 783884553 HIHMNHWTOVPSPK-UHFFFAOYSA-N 253.292 3.577 30 20 CHED CC(C)[C@H](C)C(=O)OCc1ccc(C#N)cc1Cl 784228304 FFKWBCFPQHHZNG-JTQLQIEISA-N 265.740 3.547 30 20 CHED CC(=NNc1cncc(Cl)n1)c1csc(Cl)c1 787152093 PZQPGPKPRCZLSD-UHFFFAOYSA-N 287.175 3.681 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1cnn(C(C)C)c1C 787186453 BZBXILKWWHULLU-FPLPWBNLSA-N 298.386 3.986 30 20 CHED CCc1cccc(Cl)c1C=NN=C(C)c1cnccn1 788716448 ZCLKCPKIQORRFD-UHFFFAOYSA-N 286.766 3.536 30 20 CHED C#CCn1ccc(CN(CC)C[C@H]2CCC[C@H](CC)C2)n1 789759202 PZWOVEUSJVJDCE-IRXDYDNUSA-N 287.451 3.555 30 20 CHED C[C@@H](NN=Cc1ccccc1Br)C(C)(C)C 793112266 RPSSCAISVDFTDX-SNVBAGLBSA-N 283.213 3.807 30 20 CHED CC(C)n1nccc1C=NNc1ccc(OC(F)F)cc1 794503159 ZGGZXPVHXBIIRW-UHFFFAOYSA-N 294.305 3.511 30 20 CHED CSCCON=Cc1ccc(SC(F)F)cc1 794572734 VZSZUPNULHSFBA-UHFFFAOYSA-N 277.361 3.715 30 20 CHED COCCCON=C1CCCOc2ccc(C(C)C)cc21 795041236 AABLJRYRLFCIAW-UHFFFAOYSA-N 291.391 3.740 30 20 CHED Cc1nc2c(C(=O)OCCCC(C)(C)C#N)cccc2o1 795691011 ZWZGJNGQYJWUNM-UHFFFAOYSA-N 286.331 3.623 30 20 CHED C#CCOc1ccc(NC(=O)c2sccc2Cl)cc1 796266862 TWEWAFSNUCALBN-UHFFFAOYSA-N 291.759 3.666 30 20 CHED CC(C)(C)[C@H](Cc1ccccc1)OC(=O)c1ccc(C#N)o1 796838136 XQNGGHNZVXZCAM-INIZCTEOSA-N 297.354 3.965 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)o1)c1c(F)cccc1Cl 796949686 BMXOHBHKJBJBTI-MRVPVSSYSA-N 293.681 3.862 30 20 CHED Cc1ccc(C(=O)/C=C\C(=O)NC2CCCCCCC2)cc1 797611842 CWHHXCXVEIMTCT-YPKPFQOOSA-N 299.414 3.963 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1C[C@H](c2ccccc2)C1 797784810 JKMLBMOPGBNZFM-SRCJPLILSA-N 281.355 3.766 30 20 CHED C#C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(C)C 799045855 VEJNFOVUZNJDLP-JKSUJKDBSA-N 291.822 3.854 30 20 CHED CCCCCC[C@@H](C)NN=C(C)c1cnoc1C 799480988 DVQZDUAAAKWTHW-LLVKDONJSA-N 251.374 3.656 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C/c1cccc(C#N)c1 799895173 DFFHLTJVWCLJMU-OQLLNIDSSA-N 274.323 3.668 30 20 CHED CSCC(C)(C)C(=O)OCCCCC(C)(C)C#N 800315044 VGAMVMHSRXPGBA-UHFFFAOYSA-N 271.426 3.639 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(C)cccc1SC 806430836 CEZQPANBSPZWDT-LBPRGKRZSA-N 276.405 3.640 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2c[nH]c(C(F)(F)F)c2)cn1 806566846 QDKKCZFQSBYPNV-ARJAWSKDSA-N 297.280 3.707 30 20 CHED Cc1cccc(C)c1NC(=S)NCC(C)(C)CCC#N 806598651 UTXIIIIGRWDRKH-UHFFFAOYSA-N 289.448 3.920 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)c1cccc(Cl)c1)C(C)(C)C 807881648 APYVJHRPGYEFQX-CQSZACIVSA-N 291.822 3.782 30 20 CHED C#C[C@H](NC(=O)CCc1c[nH]c2cc(C)ccc12)C(C)(C)C 807882171 WTTNCTXHVGZRAL-KRWDZBQOSA-N 296.414 3.573 30 20 CHED C[C@@H]1/C(=C\c2cc(O)ccc2[N+](=O)[O-])C(=O)c2ccccc21 809156120 JFSJSAVYDQFIRB-CNOAHFENSA-N 295.294 3.684 30 20 CHED C#C[C@H](C)N[C@@H](C)CCc1ccc(C(F)(F)F)cc1 809682913 IGNZQCLXZXIZOI-RYUDHWBXSA-N 269.310 3.638 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(C)c(Cl)c1 809996324 XYEWPAZYNFEIGO-UHFFFAOYSA-N 283.758 3.811 30 20 CHED C=CCCCCC[C@@H](C)NCC1(SC)CCN(C)CC1 810252427 OXAZLKIHGSPRAP-MRXNPFEDSA-N 298.540 3.928 30 20 CHED C=CCCCCNC(=O)Nc1ccnc(Cl)c1C 810290921 QXYMQCAYBQCPDN-UHFFFAOYSA-N 267.760 3.521 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](CC)C1CCCCC1 810306150 BQDURNZFLYAHAC-GOSISDBHSA-N 283.415 3.686 30 20 CHED FC(F)(F)c1cscc1C=NNCc1ccccc1 811634730 ZXXIBRRLZRWHEK-UHFFFAOYSA-N 284.306 3.891 30 20 CHED C(=NNC[C@H]1CCSC1)c1cc2ccccc2s1 811659282 QIXMIAZMOGKECS-LLVKDONJSA-N 276.430 3.578 30 20 CHED CC1(C)C(=NNC[C@H]2CCSC2)C[C@@H]1c1ccccc1 811659546 XWLBTDJEPLDECU-UKRRQHHQSA-N 288.460 3.899 30 20 CHED Fc1ccc(Br)c(F)c1C=NOC1CCC1 812235560 XDXODHKQGTXEAX-UHFFFAOYSA-N 290.107 3.630 30 20 CHED COc1cccc(O)c1/C=N/C[C@H](C)c1ccccc1 812396732 YCIOFTNFKIQKAL-HTMJNSLASA-N 269.344 3.623 30 20 CHED CCCCCCCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 814161323 MYORGDOUYUGVRE-MRXNPFEDSA-N 294.483 3.680 30 20 CHED C=C[C@H](CC(=O)OCCC1CCOCC1)c1ccccc1 814462751 HTBYCZYMRADRCQ-MRXNPFEDSA-N 288.387 3.706 30 20 CHED CC(=NNc1ncccc1Cl)[C@H](C)CCCCC(=O)O 814810675 SJNUOAJALDPRAG-SNVBAGLBSA-N 297.786 3.804 30 20 CHED Clc1ccc(NN=C2Cc3[nH]c4ccccc4c3C2)cn1 814859467 VXCQNWZZQUSYDY-UHFFFAOYSA-N 296.761 3.783 30 20 CHED COc1cc(F)cc(NN=CCC(C)(C)SC)c1 814870984 WRDXFVCBZYGFFF-UHFFFAOYSA-N 270.373 3.764 30 20 CHED C=CCC(F)(F)C(=O)NCc1cccc(Cl)c1Cl 814933388 MVELTZAMOIRLMI-UHFFFAOYSA-N 294.128 3.821 30 20 CHED C[C@H](CCNC[C@H](O)c1ccc(C#N)cc1)CC(C)(C)C 819254991 VWFRELBPUBURDX-PBHICJAKSA-N 288.435 3.644 30 20 CHED C#CCO[C@@H](C)C(=O)N(C1CCCC1)[C@H](C)c1ccccc1 823826627 MSCWEQHUSJNGOI-CVEARBPZSA-N 299.414 3.557 30 20 CHED C#Cc1cnc(N[C@H](CCC)c2ccc(F)cc2F)nc1 827750948 AOBILSCRHLVNPI-OAHLLOKOSA-N 287.313 3.689 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@]1(C)CC1(Cl)Cl 827866033 DADOZVXXTDYGLY-CMPLNLGQSA-N 278.223 3.821 30 20 CHED C#CC[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1ccccc1 828687460 KVGXFULXACKULB-KGLIPLIRSA-N 282.214 3.925 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 828795721 XAQNDQIKIGAQRH-YLQAJVPDSA-N 289.806 3.813 30 20 CHED Cc1cc(CN(C)CC(C)(C)C#N)ccc1N1CCCCC1 830023338 LSPWIHKXTLIDOL-UHFFFAOYSA-N 299.462 3.967 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)CCCCCC#N)n1 830638115 ZWSFGHCFFWUZCO-CYBMUJFWSA-N 289.379 3.671 30 20 CHED C#Cc1cccc(CN[C@@H](CC)c2ccc3c(c2)CCO3)c1 834902048 DAPGFXSUCWCITK-IBGZPJMESA-N 291.394 3.844 30 20 CHED CC[C@@H](C)[C@H](C=NNc1ncc(Cl)cc1Cl)OC 834925873 FXXPCJJSSDXJEW-KCJUWKMLSA-N 290.194 3.847 30 20 CHED CC(C)CCC=NNc1cc(C(F)(F)F)ccn1 834985497 NAOBRCPRRZRLSD-UHFFFAOYSA-N 259.275 3.934 30 20 CHED COC(=O)c1cc(NN=C(C)CC2CCC2)ccc1F 835011132 FXOOAPDEUCXXFM-UHFFFAOYSA-N 278.327 3.590 30 20 CHED CC(=NN[C@@H]1CCOC1(C)C)c1c(C)oc2ccccc12 835021905 RRVFECGLSQIDHR-OAHLLOKOSA-N 286.375 3.622 30 20 CHED CN(CCCCc1ccccc1)C(=O)C#CC(C)(C)C 837353450 GYOUAYDCBAOYCS-UHFFFAOYSA-N 271.404 3.517 30 20 CHED C=CCC1(C(=O)OCc2ccncc2)CCCCC1 838153338 GHUNHZRQLNKDQO-UHFFFAOYSA-N 259.349 3.651 30 20 CHED C=CCN(C(=O)NCc1ccc(C(C)(F)F)cc1)C(C)C 838613016 MGAUXDQCPJFSLM-UHFFFAOYSA-N 296.361 3.904 30 20 CHED CC(=NN(C)C[C@H](C)O)C(c1ccccc1)c1ccccc1 841651250 DPJPUKRLYPNVBJ-HNNXBMFYSA-N 296.414 3.507 30 20 CHED CC(C)CCC(=NN(C)[C@H](C)CO)c1ccc(Cl)cc1 842544776 WQMPDENVBCVQIB-CYBMUJFWSA-N 296.842 3.793 30 20 CHED C#CC[C@H](OC(=O)CC1(CSC)CC1)C(C)(C)C 845512928 FWRFEMHKWVGPBS-LBPRGKRZSA-N 268.422 3.501 30 20 CHED Cc1cc(C#N)ccc1NCCC1CC(F)(F)C1 846754408 NDLALEFKXCVAMA-UHFFFAOYSA-N 250.292 3.714 30 20 CHED COc1ccc(CCNN=Cc2ccccc2C(C)C)cc1 848407279 YAEOBLWUCCPYQE-UHFFFAOYSA-N 296.414 3.985 30 20 CHED C[C@H]1CCCCCC1=NNc1ncc(Br)cn1 848420059 NYFXOZSRRUQTAX-VIFPVBQESA-N 297.200 3.607 30 20 CHED C[C@@]1(CSc2cccnc2C#N)CC1(Cl)Cl 848437814 DEBCWHYHWJMQLD-JTQLQIEISA-N 273.188 3.629 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1ccc(OCC#N)cc1 849845601 CLEIWDJZUZQKNU-MRXNPFEDSA-N 293.338 3.551 30 20 CHED N#Cc1ccc(COC(=O)C2CCC3(CC2)CC3)c(F)c1 850266267 VIMCRDZHQIMYNT-UHFFFAOYSA-N 287.334 3.711 30 20 CHED Cc1ccc(CC(=O)O[C@H](C)CC(C)(C)C#N)cc1C 851214312 ORGBYFCAJSMZAP-CQSZACIVSA-N 273.376 3.718 30 20 CHED C=CC(C)(C)CCOC(=O)c1cnc([C@@H]2CCCO2)s1 851299448 MCIGVFOZJZOPMG-NSHDSACASA-N 295.404 3.754 30 20 CHED C=CC(C)(C)CCOC(=O)c1nc(Cl)cs1 851300221 NFGYJHDSWKUUAW-UHFFFAOYSA-N 259.758 3.556 30 20 CHED C(=NOC1CCCCC1)c1ccc(O[C@H]2CCOC2)cc1 853335637 YQZZVZKXUDRQCC-KRWDZBQOSA-N 289.375 3.538 30 20 CHED CO[C@H](C=NNc1ccc([N+](=O)[O-])cc1C)C1CCCC1 853346019 PNRXAAGRSUCXCP-OAHLLOKOSA-N 291.351 3.506 30 20 CHED CC(C)C#CC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 854893431 LTAPPFNSCNFXCA-HOCLYGCPSA-N 289.806 3.752 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H]1C=CCC1)c1ccccc1 855430930 ODBWAMKZTXQSQU-HZPDHXFCSA-N 255.361 3.571 30 20 CHED C=CCCCC(=O)Nc1nc2ccccc2n1C(C)C 855858393 GTENMSULNHIMGM-UHFFFAOYSA-N 271.364 3.912 30 20 CHED C#C[C@@H](OC(=O)[C@@H]1CCC(F)(F)C1)c1ccc(C)cc1 860961175 ABPACUMGWPMWPG-ZIAGYGMSSA-N 278.298 3.648 30 20 CHED C#C[C@@H](OC(=O)CCCc1cccnc1)c1ccc(C)cc1 860962922 ZAIHRFIEWOQIFU-GOSISDBHSA-N 293.366 3.630 30 20 CHED C=CC[C@H](NC(=O)OC1CCCCC1)c1ccncc1 866795530 YRBPOJXWCZEBFP-HNNXBMFYSA-N 274.364 3.758 30 20 CHED C=CC(C)(C)CC(=O)NC1(c2ccc(F)cc2)CC1 879061184 YRYGVSHPGXDNQK-UHFFFAOYSA-N 261.340 3.533 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1c(F)cc(Cl)cc1F 879106769 BMBMDOFUONBXRE-CYBMUJFWSA-N 286.709 3.542 30 20 CHED C=CCC[C@H](NC(=O)N1CCC(F)CC1)c1ccccc1 883525300 ZXTDFJWPHKNFOD-INIZCTEOSA-N 290.382 3.837 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCOc3c(F)cccc32)CC1 888381582 YTDIVNUPTYBHAH-HNNXBMFYSA-N 289.350 3.512 30 20 CHED Cc1ncoc1CN(Cc1ccc(C#N)cc1)CC(C)C 893957902 KGLRWFLTQCLQRH-UHFFFAOYSA-N 283.375 3.513 30 20 CHED C=C1CC(c2noc([C@H]3CCCc4c(O)cccc43)n2)C1 896878352 YQBIXIMPCJNQSO-AWEZNQCLSA-N 282.343 3.677 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cnn(CC3CCC3)c2)co1 899372405 ULZLCFRDEGEPER-VOTSOKGWSA-N 299.374 3.691 30 20 CHED C=C1CCC(C(=O)Nc2cc(-c3nnco3)ccc2C)CC1 900224340 XHMBBHSHTGRZMY-UHFFFAOYSA-N 297.358 3.730 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2nc(C)c(C)[nH]2)c1 901473549 JJMTWNTYJBMHCU-AATRIKPKSA-N 254.333 3.539 30 20 CHED N#CC1(CCCCOc2ccc(F)cc2[N+](=O)[O-])CCC1 901484158 SGSCZWATWMJXJA-UHFFFAOYSA-N 292.310 3.977 30 20 CHED C=CCC[C@H](NCc1c(Cl)cccc1Cl)C(=O)O 901692674 OWHKAFMOUNBEKO-LBPRGKRZSA-N 288.174 3.502 30 20 CHED Cc1cc(Cl)ccc1NN=C1C[C@@H](C)n2ccnc21 905506540 MOBNDPANQBHURQ-SNVBAGLBSA-N 274.755 3.626 30 20 CHED CC(C)(C)CC(=NNc1cnccn1)c1ccccc1 915959056 HBSOCQKUJMCEFO-UHFFFAOYSA-N 268.364 3.729 30 20 CHED Clc1ccc(NN=Cc2cscn2)c(Cl)c1 918710683 ZCVURQQAMJFSAY-UHFFFAOYSA-N 272.160 3.896 30 20 CHED Fc1cccc(NN=Cc2cnc(-c3ccccc3)nc2)c1 920386132 RFRNLPYCSIQVOQ-UHFFFAOYSA-N 292.317 3.729 30 20 CHED COc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1 921267263 ZSZRXDHKCKQQRZ-FMIVXFBMSA-N 268.287 3.657 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC(C)(C)C#N 921887947 MAEUSDYRHNUOHM-ZBFHGGJFSA-N 299.418 3.514 30 20 CHED Cc1cccc([C@@H](NCC2(CC#N)CC2)c2ccccn2)c1 926346188 STRRJJGGKMIEJF-GOSISDBHSA-N 291.398 3.763 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(OC)no1 926591412 LJIOUVRDRUVSSX-HIFRSBDPSA-N 286.375 3.521 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N1CCC[C@@H](C#N)C1 928223223 YMPSYFUPAKDNOV-SUIFULHWSA-N 288.778 3.505 30 20 CHED C#CCN(C(=O)Nc1cccc(C)c1Cl)C(C)C 930259277 VYUPYXQVDRWXGE-UHFFFAOYSA-N 264.756 3.524 30 20 CHED N#CC1(CCCCN2CCC(c3ccncn3)CC2)CCC1 930708717 BKXIRNQNPQLXBQ-UHFFFAOYSA-N 298.434 3.520 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H](CC)c1ccncc1 933246547 CLWBFQZNXQSHRH-HIFRSBDPSA-N 260.381 3.593 30 20 CHED C#CCN(Cc1cnc(-c2ccc(C)cc2)s1)CC1CC1 1116449124 LAXWEOXPLSFOJI-UHFFFAOYSA-N 296.439 3.964 30 20 CHED C[C@H](CCOCc1ccccc1)Nc1cccc(CC#N)n1 1117487706 IUYQESDKXWFOLJ-OAHLLOKOSA-N 295.386 3.555 30 20 CHED C=CC(C)(C)c1nnc(COc2cc(C)cc(C)c2)o1 1118365457 OAZLTZOPBGSXQC-UHFFFAOYSA-N 272.348 3.729 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 1128832491 YVAYQMYBWQORAL-DOMZBBRYSA-N 293.370 3.871 30 20 CHED N#Cc1cccc2c1CCN2C(=O)c1ccc(C(F)F)cc1 1130108195 KYONOQXBAFTSPE-UHFFFAOYSA-N 298.292 3.699 30 20 CHED CCO[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)C1(CC)CC 1162644149 GAFLINQBBCODCW-JKSUJKDBSA-N 297.402 3.826 30 20 CHED C=C(CN=c1cc[nH]cc1C(F)(F)F)c1ccccc1 1163445945 XPJJONHPUAFASR-UHFFFAOYSA-N 278.277 3.648 30 20 CHED Cc1ccc(NC(=O)Nc2scc(C)c2C#N)cc1 1202420743 RSOVTWSTSAGZRI-UHFFFAOYSA-N 271.345 3.881 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1253249121 VQMZEPYDEQUDKG-GOEBONIOSA-N 297.402 3.911 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)ccc2F)c(Cl)c1 1264241939 WOEZYDATCWBRLB-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)(C)C1CCC(CNC(=O)c2cccc(C#N)n2)CC1 1265924248 NTXMHEDRUIMYNK-UHFFFAOYSA-N 299.418 3.536 30 20 CHED Cc1cc(Oc2ccc3ncccc3c2)c(C#N)cn1 1306942560 RKHNBBSMMNSNHV-UHFFFAOYSA-N 261.284 3.602 30 20 CHED C[C@H]1COc2ccccc2[C@@H]1OC(=O)c1cc(C#N)cs1 1320242374 OQDXFCKKYUSOKS-ZUZCIYMTSA-N 299.351 3.546 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)c(F)c1 1321315160 RIDRVQXLIPEJQL-VIFPVBQESA-N 282.746 3.596 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1occ(C)c1C 1321834728 YLRPXJQXEMMAOA-UHFFFAOYSA-N 283.371 3.767 30 20 CHED CC(C)c1ocnc1C[S@](=O)CCCCC(C)(C)C#N 1321998687 PLXYPRKLVIVNKL-HXUWFJFHSA-N 296.436 3.767 30 20 CHED Oc1ccc(Br)cc1/C=N\[C@@H]1C=CCCC1 1322495184 KVQOORFSMOZQKI-CDCQXCROSA-N 280.165 3.682 30 20 CHED CC(=NNCC1CCOCC1)c1cc2ccccc2s1 1325944514 YHLUKGVBSZTMSH-UHFFFAOYSA-N 288.416 3.642 30 20 CHED CC[C@H](Cc1ccc(F)cc1)Nc1cccc(CC#N)n1 1333721781 PNJZBPPDQRIANR-OAHLLOKOSA-N 283.350 3.720 30 20 CHED C=CC[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)O 1334016608 PNUWVFYADJOZOX-RDBSUJKOSA-N 267.413 3.600 30 20 CHED Cc1cc(C(=O)N(c2cccc(C#N)c2)C2CCC2)c(C)[nH]1 1334260020 LTEGCIIAQOVBNK-UHFFFAOYSA-N 293.370 3.703 30 20 CHED Cc1ccc(NN=Cc2cccc(OCC#N)c2)cc1Cl 1337446667 QLHRZVOEPBHTTK-UHFFFAOYSA-N 299.761 3.997 30 20 CHED CCSCc1ccccc1C(=O)N(CC)[C@@H](C#N)CC 1337580823 MAPLMKHYQMZQFI-CQSZACIVSA-N 290.432 3.704 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)c2ncccc2C)c1O 1337620442 BGPNRZYXYDBPHB-JFENUBAZSA-N 284.359 3.674 30 20 CHED C#Cc1ccc(NCc2ccccc2CN(C)C(C)C)nc1 1339535270 GPWKVAJVAFOQIW-UHFFFAOYSA-N 293.414 3.515 30 20 CHED CC(C)(C#N)CCSCc1ccc(Cl)cn1 1343548703 WCXWOXWQJIEJBP-UHFFFAOYSA-N 254.786 3.908 30 20 CHED C=CCc1ccccc1OC(=O)[C@H]1CCOC(C)(C)C1 1343554801 TXZRDENLMBONEP-AWEZNQCLSA-N 274.360 3.526 30 20 CHED N#Cc1ccc(-c2nnc(/C=C\c3ccccc3C#N)o2)cc1 1345867104 NTDYYBUECJVXBQ-KTKRTIGZSA-N 298.305 3.650 30 20 CHED N#C[C@H](C(=O)C1CC2(CC2)C1)c1nc2cccc(Cl)c2[nH]1 1347392309 RZHRFGKNNLULMF-SNVBAGLBSA-N 299.761 3.583 30 20 CHED C[C@@H]1CC[C@@H](C(=O)OCc2ccc(CC#N)cc2)C[C@H]1C 1435687524 VADSCQSXRAPEGS-CKEIUWERSA-N 285.387 3.868 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1 1436648653 IDONDNZOCFVDCQ-AYDFFVQHSA-N 275.392 3.828 30 20 CHED C[C@H]1C[C@@H](CCNC(=O)c2cccc(C#N)n2)CC(C)(C)C1 1459704969 BVNDNEHFKZVBKS-UONOGXRCSA-N 299.418 3.536 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)[C@]1(C#N)CC12CCCC2 1522700937 OCSJFZKXXUNDFG-XJIUQZFPSA-N 275.392 3.828 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1C 1527387613 LEAOZEYTAHYEGW-GDBMZVCRSA-N 284.403 3.813 30 20 CHED N#Cc1cccc(NC(=O)c2cc3cccc(Cl)c3o2)n1 1530124541 ZGACFGJSNDQAJO-UHFFFAOYSA-N 297.701 3.605 30 20 CHED Cc1csc(C(=O)Nc2scc(C)c2C#N)c1 1532083834 FEXSBCNDUQEBOP-UHFFFAOYSA-N 262.359 3.550 30 20 CHED CC1(C)OB(c2c(Cl)ccc3ccccc23)OC1(C)C 1535641126 JEPDOWBHXLGGTA-UHFFFAOYSA-N 288.583 3.792 30 20 CHED CCc1ccc(F)cc1C(=O)N(CC)c1ccc(C#N)cc1 1538804999 RMISWRGNVBHXRU-UHFFFAOYSA-N 296.345 3.926 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@]1(C(=O)O)CC1(C)C 1589645355 YJDWPINFYAMKEM-GUYCJALGSA-N 297.439 3.600 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C#N)CCc1ccccc1 1595445784 PEHFIXLKYJZQDV-SQNIBIBYSA-N 298.430 3.844 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC[C@H](C)c2ccccc2)n1 1595472184 MERSAPPEPQFHGU-ZDUSSCGKSA-N 293.370 3.784 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1cc(F)cc(C#N)c1 1596855390 FXIRQQIIBZGZGQ-CQSZACIVSA-N 266.291 3.554 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1cccc(Cl)c1 1602231388 ZOFLRGUUKWXMFJ-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CC[C@H](C)[C@H](C)Nc1ncc(C#N)cc1Br 1612006975 KSDXCUXVQMDLFE-IUCAKERBSA-N 282.185 3.562 30 20 CHED CS[C@H]1CCC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 1620913767 VECSZSGNNBEMFG-KBPBESRZSA-N 294.851 3.975 30 20 CHED Cc1ccc(Nc2ccc(C#N)cn2)cc1N1CCCC1 1640368241 JEZHHLTYHUVOFX-UHFFFAOYSA-N 278.359 3.606 30 20 CHED CC1(C)CN(c2c(Br)cccc2C#N)C1(C)C 1651590189 PHSDNCFJWHDTOV-UHFFFAOYSA-N 293.208 3.946 30 20 CHED N#Cc1ncccc1SC/C=C/c1ccccc1 1656553378 LZVDOYMGVKWFIU-VMPITWQZSA-N 252.342 3.759 30 20 CHED C=C(Br)CNCc1ccc2c(c1)CCCC2 1661351019 KMKCEJCLTPUHKY-UHFFFAOYSA-N 280.209 3.564 30 20 CHED CC[C@H](NC(=O)Nc1ccc(F)cc1C#N)[C@@H]1CC1(C)C 1669604604 CUQSYWQUYXRUGP-STQMWFEESA-N 289.354 3.644 30 20 CHED C[C@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)C[C@@H]1C 1776062691 GBDFCNAKGJEXNP-UWVGGRQHSA-N 278.327 3.748 30 20 CHED C=CC[C@H](CNc1ccc(C(=O)O)c(C)n1)c1ccccc1 1776151791 AVNWVLNXJVSYRD-OAHLLOKOSA-N 296.370 3.860 30 20 CHED C=CCCC[C@@H](NC[C@H](CCC)c1ccccc1)C(=O)O 1776171184 FUXUWWZXIBHKFV-DLBZAZTESA-N 289.419 3.969 30 20 CHED Cc1ccoc1C(=O)/C=C\c1c[nH]c2ccc(C(=O)O)cc12 1777476705 XARVMHORZHJOHV-HYXAFXHYSA-N 295.294 3.664 30 20 CHED Cc1cc(C)cc(COC(=O)/C=C/c2ccccc2C#N)c1 11541602 FHMDSRORDUGYMV-BQYQJAHWSA-N 291.350 3.932 30 20 CHED COc1c(C)ccc(NC(=O)Nc2ccc(C#N)cc2)c1C 31664465 YGJVKGLGBYEPNW-UHFFFAOYSA-N 295.342 3.828 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)c2ccc(C)s2)n1 43395731 WFHKMQYWPXWPSX-LLVKDONJSA-N 257.362 3.805 30 20 CHED CCCC1CCC(Nc2ncc([N+](=O)[O-])cc2C#N)CC1 48755764 XZDSCDVYRJSDAQ-UHFFFAOYSA-N 288.351 3.632 30 20 CHED COc1cccc(CN(C)c2cccc(Cl)c2C#N)c1 48935863 RWMBPYYWKPJZRX-UHFFFAOYSA-N 286.762 3.857 30 20 CHED CC[C@H](NC(=O)c1cccc(CC#N)c1)c1cccs1 55968273 RSQCWSZVBILFLV-AWEZNQCLSA-N 284.384 3.695 30 20 CHED CCC[C@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OCC 56802327 NMNDXNYQFBADQA-LBPRGKRZSA-N 289.379 3.609 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1 57435379 XKCMQVAEFLLQAJ-UXBLZVDNSA-N 287.309 3.927 30 20 CHED C=CCN(Cc1cccc(C#N)c1)[C@H]1C=CCCC1 66496931 OPZAAHLWAZBLOI-KRWDZBQOSA-N 252.361 3.655 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(-n2cccc2)c1 67574910 GPZDOPSEPJRPJQ-UHFFFAOYSA-N 283.375 3.907 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](CC)c1ccc(C)cc1 69323240 PEEQYPPUTXFCMB-HOCLYGCPSA-N 275.392 3.544 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 69329698 TVLIJJADHVVHCN-STQMWFEESA-N 287.359 3.591 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)SCC1CCCCC1 69646882 ZVLLIRVEPNOPMB-XJKSGUPXSA-N 296.480 3.743 30 20 CHED CC[C@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 79054666 FVYFQWKKEXSTQF-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED N#CC1(c2nc(-c3cc4ccccc4o3)no2)CCCC1 88338151 NNPVTAGPGGUJRF-UHFFFAOYSA-N 279.299 3.818 30 20 CHED C/C=C(/C)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 89967265 BMROCOZLAWNENW-BXVXIVLCSA-N 282.368 3.953 30 20 CHED COc1ccccc1[C@@H]1CCN(Cc2cc(C#N)cs2)C1 93593752 OXSKZJSGWWJFGA-CQSZACIVSA-N 298.411 3.618 30 20 CHED N#Cc1csc(CNc2cccc(-c3cnco3)c2)c1 93687370 JSUKAKCDZPYZAO-UHFFFAOYSA-N 281.340 3.887 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cccnc2)cc1C 96766377 LSHZSDAUHVEMFF-SREVYHEPSA-N 251.329 3.903 30 20 CHED C=CCOc1cccc(CN[C@@H](C)c2nccs2)c1 106251200 RNLOBDBLEOSTQU-LBPRGKRZSA-N 274.389 3.559 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccncc1 108238666 BOVCJOANDDLROS-LBPRGKRZSA-N 297.383 3.586 30 20 CHED CCCCCCCCNCc1c[nH]nc1-c1cccnc1 108283309 DMNGYRJLZHNPAS-UHFFFAOYSA-N 286.423 3.922 30 20 CHED CCCCCCCC(=O)Nc1cccc([S@@](C)=O)c1 110022785 XFPHQPLWAUOSLZ-IBGZPJMESA-N 281.421 3.723 30 20 CHED CC(C)(C#N)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 113833190 XUNKSAHYFGZKQK-UHFFFAOYSA-N 299.399 3.663 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cnn(Cc2ccccc2)c1 119005341 AAGUBVXJVYMXBQ-BQYQJAHWSA-N 292.338 3.729 30 20 CHED Cc1nc(C)c([C@@H](C)N(C)CCC(C)(C)C#N)s1 119914074 YCFORSHBLWNWFB-LLVKDONJSA-N 265.426 3.693 30 20 CHED Cc1cccnc1[C@H](NCc1cc(C#N)ccc1F)C(C)C 120872200 UXWIPPNTFGUDGJ-QGZVFWFLSA-N 297.377 3.888 30 20 CHED CCCCC[C@H](C(=O)N(CC)C[C@H](C)C#N)C(C)C 121790861 FYEPZINZDMQROC-CABCVRRESA-N 266.429 3.847 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(F)c(Br)c1 122329550 NVLAYELCPRWVGF-SECBINFHSA-N 299.187 3.789 30 20 CHED CC[C@H](C#N)Sc1nccn1-c1ccccc1C 127247835 UWUXIALSIHEFSL-GFCCVEGCSA-N 257.362 3.575 30 20 CHED CCO[C@@H]1C[C@H](N(C)CCCCC#N)C12CCCCC2 127407615 PVSAOOWIWVSRRF-JKSUJKDBSA-N 278.440 3.740 30 20 CHED C#CCOc1ccc(CNc2cccc(COCC)c2)cc1 128918326 JXYOOJZBRJDIPX-UHFFFAOYSA-N 295.382 3.847 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1 129525064 FZIXUHLUYCVYOS-SOFGYWHQSA-N 283.283 3.505 30 20 CHED CCC(CC)c1cc(C(=O)Nc2sccc2C#N)on1 129667015 FFYJUMHBXPNPHP-UHFFFAOYSA-N 289.360 3.764 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)[nH]1 133024924 JRJLADSIVQSEGO-UHFFFAOYSA-N 299.333 3.710 30 20 CHED C[C@@H](N[C@H]1CCc2c(O)cccc21)c1cccc(C#N)c1 135043752 YYCVRKNYCUNRKF-PXAZEXFGSA-N 278.355 3.602 30 20 CHED Cc1nnc(-c2cccc(NCC(C)(C)CCC#N)c2)o1 150986140 HJUMJTRDTFODMW-UHFFFAOYSA-N 284.363 3.787 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1c(F)cccc1Cl 151726157 FPDGVMVNKQXJEZ-LLVKDONJSA-N 296.773 3.643 30 20 CHED Cc1cccc(C)c1Oc1ccccc1NC(=O)CC#N 153648263 VUKNQRKTPBOCAU-UHFFFAOYSA-N 280.327 3.948 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 154925651 WEUZOLKEJDTBTD-ZDUSSCGKSA-N 292.810 3.846 30 20 CHED Oc1ccc2ccccc2c1/C=N/[C@@H]1CCC[C@@H]2OCC[C@@H]21 155086435 UHPAEMHBCVHNEL-AUYBRXIDSA-N 295.382 3.922 30 20 CHED N#Cc1cc(NCc2coc(-c3ccccc3)n2)ccc1F 159544214 NOKYQLRONCCIJF-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=CCC[C@H](NC(=O)NC[C@@H](C)SC)c1ccccc1 160828421 ONUROUXLKLYGTK-HIFRSBDPSA-N 292.448 3.745 30 20 CHED C=C(C)CNC(=O)[C@@H](C)c1ccc2ccccc2c1 161215147 GZXDZQUJAUMIGY-ZDUSSCGKSA-N 253.345 3.636 30 20 CHED C=CCN(C)C(=O)c1ccccc1Oc1ccccc1C#N 161643760 XDTSIGSHVYLXCF-UHFFFAOYSA-N 292.338 3.609 30 20 CHED N#Cc1ccc(CSCc2nccs2)c(F)c1 161837549 SSTWWFYKBNCUQU-UHFFFAOYSA-N 264.350 3.587 30 20 CHED CCCCCCCCC(=O)N(C)[C@H]1CCSC1 162711849 PGYWZBBNIOWZRJ-ZDUSSCGKSA-N 257.443 3.701 30 20 CHED C=CCN(CCc1csc(C)n1)Cc1ccccc1 163499834 JDIJGJRPQQEUBW-UHFFFAOYSA-N 272.417 3.682 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(CSC)cc1 171281950 ZPAPBTVQFFPNIV-UHFFFAOYSA-N 276.405 3.756 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)Cc1ccc(C#N)cc1)C1CC1 171575484 NFMIXHLOVZNIPT-UONOGXRCSA-N 284.403 3.526 30 20 CHED Cc1ccccc1CC(=O)N[C@@H](C#N)c1ccccc1Cl 172027881 KNKSAHLRYFHJIR-INIZCTEOSA-N 298.773 3.572 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)CCSCC 173310633 WRTWUVUHTOLTDF-CYBMUJFWSA-N 293.432 3.513 30 20 CHED CCC[C@H]1[C@H](C)CCCN1CCCSCC#N 174174350 NZUIURWJEJERLI-KGLIPLIRSA-N 254.443 3.534 30 20 CHED C=C(C)CN1CCC[C@H]1c1nc2ccccc2n1CC 177043437 BXYLOWNIXLTSGX-INIZCTEOSA-N 269.392 3.769 30 20 CHED CCC(CC)CC(=O)Oc1c(Cl)cc(C#N)cc1OC 177112745 ABOITFUSZDMFFF-UHFFFAOYSA-N 295.766 3.952 30 20 CHED CCN(Cc1ccc(F)cc1C#N)[C@@H](C)c1cccc(O)c1 178380150 JFWBDBORHZZGLM-ZDUSSCGKSA-N 298.361 3.986 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@@H]2[C@@H](C1)C2(C)C 178540282 CWXNHSYRHBQBGF-HZPDHXFCSA-N 268.404 3.576 30 20 CHED Cc1cc(Cl)ccc1C(=O)N(CC#N)c1ccccc1 179041673 ASQPBXJUKHHQJC-UHFFFAOYSA-N 284.746 3.819 30 20 CHED C=CCN(C(=O)[C@@H]1CCO[C@H](CCC)C1)c1ccccc1 182851398 FDOTVXLRTQTCMP-NVXWUHKLSA-N 287.403 3.801 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 184627076 PXYJOGZPQIMVCW-LLVKDONJSA-N 294.361 3.961 30 20 CHED CC[C@H]1CCCC[C@H]1OCC(=O)Nc1sccc1C#N 184659408 MSVLJBZLIPRSKA-WCQYABFASA-N 292.404 3.544 30 20 CHED CC#CCCCC(=O)N(CCC)Cc1ccccc1 184969302 PUARTWRAQHLWHP-UHFFFAOYSA-N 257.377 3.619 30 20 CHED CCCOCc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 185785144 GWDPPMKCGFFQDD-CRAIPNDOSA-N 286.419 3.785 30 20 CHED CC[C@H](CN[C@@H]1CCC[C@H](C#N)C1)Oc1cccc(C)c1 185785218 VRGOOPOBYRZNET-GVDBMIGSSA-N 286.419 3.824 30 20 CHED COc1ccc(C[C@H](C)CN[C@H]2CCC[C@H](C#N)C2)cc1 185873967 NJNZNPLAJFTQLZ-XIRDDKMYSA-N 286.419 3.546 30 20 CHED C#CCC(C)(C)C(=O)NCC1(c2ccccc2Cl)CC1 185964961 VSNYLHJVRLFSCV-UHFFFAOYSA-N 289.806 3.537 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc(F)c(Cl)c1 185996310 MYZORMOSONCAHZ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C#CCCCCC(=O)NC1(Cc2cccc(F)c2)CCC1 187555044 BNYBYLLTDDUREL-UHFFFAOYSA-N 287.378 3.601 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cncc(-c2cccc(C)c2)c1 187921177 QJXINPMBVKVMPU-KRWDZBQOSA-N 294.354 3.906 30 20 CHED CCCN(CC#N)Cc1ccc(C(F)(F)F)cc1C 191057180 SIUIJYXVPWGQKX-UHFFFAOYSA-N 270.298 3.749 30 20 CHED C#CCCCC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 192144486 PZYCOVCTJDDYGP-AEFFLSMTSA-N 283.415 3.832 30 20 CHED C[C@H](NCCc1cccc(F)c1)c1ccc(OCC#N)cc1 192960625 GMGXLSKMUDOCOK-AWEZNQCLSA-N 298.361 3.621 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C(CC)CC 192976035 JSCGRHGAPXRIFO-UHFFFAOYSA-N 272.392 3.733 30 20 CHED Cc1nnc(SCCCOc2ccccc2)c(C#N)c1C 193051341 XFNOLJIJRROJJV-UHFFFAOYSA-N 299.399 3.526 30 20 CHED C=CCSCCNC(=O)c1cccc(Cl)c1Cl 194503135 SXBMUHUYBAGBJW-UHFFFAOYSA-N 290.215 3.642 30 20 CHED C=C(C)[C@@H](N[C@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 195121052 YVHVAIYHVWJOLG-KNXALSJPSA-N 281.346 3.597 30 20 CHED C=CCCCCCSc1nncn1CC(F)(F)F 195439451 CYALAPBQXQVJQN-UHFFFAOYSA-N 279.331 3.679 30 20 CHED COc1cc(CNc2cccc(F)c2C)ccc1C#N 234908215 MNABCCZFRNKCFY-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C#CCCOc1ccc(CNCCSC(C)(C)C)cc1 236598386 PGTJTEPPRFBOTI-UHFFFAOYSA-N 291.460 3.710 30 20 CHED C[C@H](NCc1ccc(C#N)o1)[C@H](C)C1CCCCC1 237587677 IFXGBLQXXRKPQU-STQMWFEESA-N 260.381 3.846 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)NCc2cccc(C#N)c2)CC1 245519573 SIAHERJDHJXDPT-QAQDUYKDSA-N 284.403 3.637 30 20 CHED CCN(CCCN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 248790445 ISRWPBIBVABGHP-IAGOWNOFSA-N 285.435 3.575 30 20 CHED C=CCCC(=O)N(Cc1ccco1)Cc1cccs1 263663973 KQNKJFSNINCMLA-UHFFFAOYSA-N 275.373 3.836 30 20 CHED N#Cc1ccc(N2CCCC3(CCOCC3)C2)cc1Cl 266296167 XQBYUPNLIVVJPK-UHFFFAOYSA-N 290.794 3.609 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc2ccccc2c1 267210665 HGTHQKBRYSYELH-HNNXBMFYSA-N 266.344 3.508 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] 267919414 INFOJFSGGRQPNB-CYBMUJFWSA-N 299.355 3.869 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccccc1Cl)OCC 270030229 DKDNZQYDTXMETR-ZDUSSCGKSA-N 268.740 3.617 30 20 CHED C[C@H](C#N)Oc1ccccc1NCCCC1CCOCC1 274179195 DWHLITOPPSEYEG-CQSZACIVSA-N 288.391 3.596 30 20 CHED COCCc1nc2cc(N[C@@H]3CCC[C@@H](C#N)C3)ccc2o1 274210600 NIBVOBOMLSYQES-CHWSQXEVSA-N 299.374 3.511 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NC(=O)CC(C)(C)C#N 278247101 LVRJTJYROMOVSP-CQSZACIVSA-N 286.419 3.799 30 20 CHED C[C@@H]1Sc2ccccc2N(C(=O)CC(C)(C)C#N)[C@@H]1C 279067435 TUPMAHGXWYQKNK-NEPJUHHUSA-N 288.416 3.842 30 20 CHED CCN(Cc1ccnn1C(C)C)[C@@H](C)c1ccc(C#N)cc1 279734291 WHOVOYQYUKBOMG-HNNXBMFYSA-N 296.418 3.919 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 279890290 AKJQBDNYZFGUPA-MRXNPFEDSA-N 284.403 3.651 30 20 CHED COc1cc(C#N)cc(Cl)c1OCCC(C)(C)C#N 282070851 YZMSCXCGKYZVDW-UHFFFAOYSA-N 278.739 3.539 30 20 CHED C#CC[C@H](NC(=O)c1occc1C(C)C)c1ccccc1 284310466 VBFJEMTWVXSQNP-INIZCTEOSA-N 281.355 3.897 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc2c1CN(CC(C)C)C2 285708273 IHQLDTFNMOLDMB-GOSISDBHSA-N 299.418 3.537 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(F)c(NC(=O)NC)c1 287632390 UGPKQCNKBVJRGT-GHMZBOCLSA-N 279.359 3.590 30 20 CHED Cc1csc(NC(=O)[C@H]2CCCC2(C)C)c1C#N 288687267 CKUFDVAYJYZLSR-LLVKDONJSA-N 262.378 3.693 30 20 CHED C#CCCCC(=O)N(Cc1ccc(OC)cc1)C(C)(C)C 288917592 LLEOMVVUZLJCDY-UHFFFAOYSA-N 287.403 3.626 30 20 CHED Cc1csc(NC(=O)C[C@H]2CCC[C@H]2C)c1C#N 288924216 VZPQBXWIRIYPBF-MWLCHTKSSA-N 262.378 3.693 30 20 CHED C=C[C@@H](Cc1nc([C@@](C)(CC)OC)no1)c1ccccc1 290248753 COQKFRMTJHJAOT-SUMWQHHRSA-N 286.375 3.854 30 20 CHED Cc1ccc2ncc(C#N)c(NCC(C)(C)C[C@H](C)O)c2c1 291977164 PLPLCFQQBLZBMT-ZDUSSCGKSA-N 297.402 3.624 30 20 CHED CCN(CCC1CCOCC1)[C@H](C)c1ccc(C#N)cc1 292640173 OIHYERCNSXRNKX-OAHLLOKOSA-N 286.419 3.758 30 20 CHED C=CCC(C)(C)c1nc(C(CC)(CC)OC)no1 292929144 FMFZXYRZPVAEJU-UHFFFAOYSA-N 252.358 3.585 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 294023313 FHTDOZIPJXRMRZ-CQSZACIVSA-N 273.376 3.731 30 20 CHED N#CCCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 298884187 KMZOPJSZUDUKPC-CYBMUJFWSA-N 268.282 3.660 30 20 CHED Cc1cc(Nc2ncccc2C#N)ccc1OC(C)C 301535408 MIUNGIUZNKQUGV-UHFFFAOYSA-N 267.332 3.793 30 20 CHED C=CCN(Cc1ccccc1)c1nccc(C(F)(F)F)n1 302078192 XBGRNUNOKKATOL-UHFFFAOYSA-N 293.292 3.688 30 20 CHED CCN(Cc1ccccn1)c1ccc2cc(C#N)ccc2n1 302683036 SMXMZOKBDVFEOA-UHFFFAOYSA-N 288.354 3.528 30 20 CHED C=C(Br)CNC1(c2cccc(Cl)c2)CC1 308860198 BAABOIWEKDKCQS-UHFFFAOYSA-N 286.600 3.827 30 20 CHED N#Cc1ccc(NC2CC2)c(N=C(O)[C@@H]2C[C@H]2C2CC2)c1 329117940 UUSFETOHJPHFFO-UONOGXRCSA-N 281.359 3.767 30 20 CHED OC(=Nc1csc(-c2ccncc2)n1)C1[C@H]2CCC[C@H]12 329611626 JSYPAOWWMHNKIC-QWRGUYRKSA-N 285.372 3.839 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@H](C)c2ncc(C)s2)s1 331175628 GNGWKQMJFMKFEK-SECBINFHSA-N 295.433 3.845 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCc3cc(-c4ccccc4)oc3C2)C1 334359832 XHIRJKPOFXFFLU-RHSMWYFYSA-N 292.382 3.997 30 20 CHED N#Cc1cc(SC2CCC(C(F)(F)F)CC2)ncn1 334620641 JSGZVTKPMIVNSV-UHFFFAOYSA-N 287.310 3.561 30 20 CHED COc1cccc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 336359338 LHJLSLNUSCQABH-RHSMWYFYSA-N 284.403 3.567 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H](CC(C)C)C1 337970424 IYQXHCJUHCOXQD-OAHLLOKOSA-N 284.403 3.765 30 20 CHED CO[C@@H](CN(CCC#N)CC1CC1)c1ccc(Cl)cc1 338303291 DVDSGXANCRUPFG-INIZCTEOSA-N 292.810 3.653 30 20 CHED CN(Cc1c(F)cccc1F)c1nccc(C#N)c1Cl 338791911 WHIPWNNXKZNXOF-UHFFFAOYSA-N 293.704 3.521 30 20 CHED CC[C@H](C)[C@@H](NCCOCCC#N)c1ccc(Cl)cc1 339070909 KQCNTFWWYBSBQQ-XJKSGUPXSA-N 294.826 3.947 30 20 CHED C[C@H](c1ccccc1)N(C(=O)c1sccc1C#N)C1CC1 342702215 VHNANCUCJGOAPN-GFCCVEGCSA-N 296.395 3.986 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H](C)C2(CCC2)C1 343078486 MCEWESWXPFULED-MRXNPFEDSA-N 293.451 3.788 30 20 CHED C=CCN(Cc1ccccc1F)CC1(SC)CC1 347676586 UOTQXNJERQDGKI-UHFFFAOYSA-N 265.397 3.709 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc2c(c1)COC2 348208820 VERSZZGTWKUXKL-ZDUSSCGKSA-N 272.392 3.697 30 20 CHED C=CCC[C@H](NCc1cnc(C)nc1)c1ccccc1 351751444 BHPLFNSPWSLTCM-KRWDZBQOSA-N 267.376 3.582 30 20 CHED C=CCSCCNCc1cscc1C(F)(F)F 352839059 RPDRBWXPFBDFBG-UHFFFAOYSA-N 281.368 3.776 30 20 CHED C=CCOCC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 353983292 MCJFRJGFMGJNJW-HNNXBMFYSA-N 287.403 3.579 30 20 CHED C=CCCC1(C(=O)Nc2cnc(-c3ccccc3)nc2)CC1 354392445 PIMZYRIRNFYYTK-UHFFFAOYSA-N 293.370 3.829 30 20 CHED Cc1cccc(C)c1[C@@H](C)Nc1cccc(C#N)n1 354581272 RQSSBCIVRJWGQF-CYBMUJFWSA-N 251.333 3.743 30 20 CHED Cc1c(C#N)cccc1NCc1cnc([C@@H]2CCCO2)s1 354784880 HZSFQJFPDIRHOT-HNNXBMFYSA-N 299.399 3.787 30 20 CHED CC(C)c1cccc(CNc2ncccc2C#N)c1 355792313 YTSQKKNMZQUMNI-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C[C@H](CC#N)N(C)Cc1cscc1C(F)(F)F 356190558 IEWOFQZQFQYJRC-MRVPVSSYSA-N 262.300 3.501 30 20 CHED C=CCN(C(=O)c1c(Cl)ccc(F)c1C)C1CC1 361850465 QUHDDEZGNLQZDO-UHFFFAOYSA-N 267.731 3.578 30 20 CHED C=CC[C@H](CC)NC1CCN(c2ccc(OC)cc2)CC1 366966056 KODHTUGAOMRKFE-HNNXBMFYSA-N 288.435 3.608 30 20 CHED C[C@H](N[C@@H]1c2ccc(F)cc2O[C@@H]1C)c1cccc(C#N)c1 367578135 UYCIAKAJWAVUQW-IUUKEHGRSA-N 296.345 3.870 30 20 CHED CCCCCCCC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 378089639 MRQYWZCLTNMOBZ-WBVHZDCISA-N 293.451 3.907 30 20 CHED CC(C)(C)C(C)(C)C(=O)N1CCC(CCC#N)CC1 399418505 TWDWJEDRLVEGPS-UHFFFAOYSA-N 264.413 3.601 30 20 CHED C[C@H](CCNCc1ccc(C#N)c(F)c1)c1ccccc1 404048456 HWDJLTHZGHDQEU-CQSZACIVSA-N 282.362 3.981 30 20 CHED CC[C@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N 410929717 ODKMTJKUQZCQKF-VIFPVBQESA-N 264.394 3.902 30 20 CHED C[C@H](NCCC1(C#N)CCCCC1)c1cncc(F)c1 411509753 XDTTXKVVRHBKJB-ZDUSSCGKSA-N 275.371 3.735 30 20 CHED C[C@@H](CCC#N)N1CCn2c(cc3ccc(Cl)cc32)C1 411651781 WGDQVUUQXMBQFB-LBPRGKRZSA-N 287.794 3.803 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CCC[C@H]21 413837564 QZNOQKUBJOYKQA-RCCFBDPRSA-N 298.430 3.758 30 20 CHED C=CCC1(NC(=O)[C@@H](C)CC(F)F)CCCCC1 413846644 RWJDNHBWXMBSKW-NSHDSACASA-N 259.340 3.673 30 20 CHED COc1cc(CS[C@H](C)c2cccc(C#N)c2)ccn1 419464946 ODZCCIKVQLPAJI-GFCCVEGCSA-N 284.384 3.956 30 20 CHED C=CCN(CC[C@@H]1CCCNC1)Cc1ccc(Cl)s1 420296379 BQPFCLKHMAAMFD-ZDUSSCGKSA-N 298.883 3.779 30 20 CHED CC(C)c1ccc([C@H](N)CNC2CCC(C)(C#N)CC2)cc1 423245611 OYDKAJXGRYHJMT-JLAWEPINSA-N 299.462 3.872 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OC)c(SC)c1 424895194 PAQWZBPOTRSBJC-UHFFFAOYSA-N 279.405 3.958 30 20 CHED N#CCCNC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 426429160 VVFRCUMNJACRMW-KRWDZBQOSA-N 299.418 3.911 30 20 CHED Cc1ccc(CNCC2(CC#N)CC2)c(Br)c1 430017880 JUWNCJMBMUWDOF-UHFFFAOYSA-N 293.208 3.541 30 20 CHED Cc1ccc(-c2nnc([C@H](C)N(C)CC(C)(C)C#N)o2)cc1 433314022 SWHPQTMDCNRENG-ZDUSSCGKSA-N 298.390 3.588 30 20 CHED CC#CCCOc1cc(Cl)c(Cl)cc1C(C)=O 434740701 ZSSSZUINPXPCOV-UHFFFAOYSA-N 271.143 3.988 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CCC(CC)CC1 435752268 XGAVCOMPYQYHML-GRAKBVBRSA-N 251.414 3.526 30 20 CHED Cc1cc(CN(C)c2ccc(Cl)c(C#N)n2)ccc1F 436422570 NHEOPQVRGXKZSL-UHFFFAOYSA-N 289.741 3.691 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)CC1CCCCC1 437485300 YBDAGHWGICUASW-PVAVHDDUSA-N 293.451 3.690 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1ccc(Cl)cc1F 441392818 DNIYIBBWLJVYTM-NSHDSACASA-N 299.773 3.813 30 20 CHED COc1cc(CN2CCC[C@H]2c2cccs2)ccc1C#N 442814014 UJTAFOPHWDWPPN-HNNXBMFYSA-N 298.411 3.965 30 20 CHED C=CCOc1cccc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1 448785844 XHSAKZFSRRLWEU-HEHGZKQESA-N 271.360 3.626 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)Cc1c(C)noc1C 449159954 JYFRVUKHBSFZAR-CHWSQXEVSA-N 264.413 3.947 30 20 CHED CC1(C)CCCN(Cc2ccnn2C2CCCC2)[C@H]1C#N 449281674 DZSGMLXUWJZDEE-INIZCTEOSA-N 286.423 3.512 30 20 CHED COc1ccc2c(c1)CCC[C@H]2N(C)CC1(C#N)CCC1 450303217 MNZQDDQSDNAWJV-QGZVFWFLSA-N 284.403 3.698 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cc(F)c(C)cc1F 450420211 BPAUILPITRTQHV-GFCCVEGCSA-N 281.346 3.677 30 20 CHED CC(C)Oc1ccc([C@@H](C)NCC2(C#N)CCC2)cc1 450669278 PQEVUPNRIBCLDR-CQSZACIVSA-N 272.392 3.818 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC23CCCC3)cc1F 451462697 VZBPEDLCXZBMOW-OAHLLOKOSA-N 258.340 3.510 30 20 CHED C=CCC1(C(=O)NCCC2C[C@H](C)O[C@@H](C)C2)CCCC1 451522122 GGEVPLBVBPVWJI-GJZGRUSLSA-N 293.451 3.833 30 20 CHED C=CCC1(c2nc(-c3ccncc3)no2)CCCCC1 453026909 NVPHLKTUGKOERG-UHFFFAOYSA-N 269.348 3.910 30 20 CHED C=CCC1(c2nc(-c3cccnc3C)no2)CCCC1 453188252 WAZKGJRGKDKLEE-UHFFFAOYSA-N 269.348 3.828 30 20 CHED C=CCC1(CN[C@H](C)c2cccc(CO)c2)CCCC1 453347106 DXUAJXBTXDAEHW-OAHLLOKOSA-N 273.420 3.966 30 20 CHED C=CCN(CCC#N)C(=O)Nc1c(C)cccc1SC 455139788 BHIZVXGCYKRALG-UHFFFAOYSA-N 289.404 3.651 30 20 CHED C=CC(C)(C)CNC(=O)N(CCC)Cc1ccc(C#N)cc1 455363859 HYJXSDAHFHIOLO-UHFFFAOYSA-N 299.418 3.692 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)c1cc(C#N)ccc1Cl 457183183 APGROSRKODPJDE-JTQLQIEISA-N 278.783 3.766 30 20 CHED C=CC[C@H](C)NC(=O)Cc1ccccc1OC1CCCC1 457567427 HCGSPDRFVRNQCW-AWEZNQCLSA-N 287.403 3.631 30 20 CHED C=C(C)CNC(=O)C(C)(C)Cc1ccc(Cl)cc1 457743073 MERREOFDJUSFGX-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C=C(C)CCNC(=O)N1CCCC[C@@H]1[C@@H](C)CC 458989363 BBTKWFKZPOCIRN-UONOGXRCSA-N 252.402 3.563 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)[C@@H]1CCOC(C)(C)C1 460658323 PGZFTPGRMJJFHZ-LSDHHAIUSA-N 296.455 3.720 30 20 CHED C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)CCC 460782309 MCXXTOMFEBFXRW-CQSZACIVSA-N 299.422 3.541 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N[C@](C)(C#N)C(C)(C)C 464160084 VMOHZTRSPBCJQV-MLGOLLRUSA-N 266.429 3.893 30 20 CHED C=C[C@@H](C)NC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 465117551 HUPBBTWRFRPUGP-WMEZAQDKSA-N 283.415 3.726 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)CCCc1ccccc1 466377729 GXLAGACNAJTESE-MRXNPFEDSA-N 274.408 3.615 30 20 CHED C=CC[C@@H](CC)NCc1cnn(-c2ccc(Cl)cc2)c1 466402227 SPRGZHQAJIYWHM-OAHLLOKOSA-N 289.810 3.970 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NCCc2cccc(C#N)c2)C1 466424499 IFXVAPJDDJRLHU-HALDLXJZSA-N 256.393 3.515 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)COC1CCCC1 470645156 ULLDHRRQPNNKBO-UHFFFAOYSA-N 287.403 3.551 30 20 CHED C=CCOCCCN1CCC[C@](C)(c2ccccc2)C1 470765425 LGPDYBNCXPIVJB-SFHVURJKSA-N 273.420 3.633 30 20 CHED CCCC[C@@H](SCC#Cc1ccc(F)cc1)C(=O)OC 475883597 SHSQVAHLIQSYRQ-OAHLLOKOSA-N 294.391 3.642 30 20 CHED C=CC1CCN(C(=O)NC[C@H](CC)c2ccccc2)CC1 476488946 MYOORKBNODPAFN-INIZCTEOSA-N 286.419 3.788 30 20 CHED CCCC[C@H](Sc1cccc(F)c1C#N)C(=O)OC 480563002 KPBWQKCNOLCIRI-ZDUSSCGKSA-N 281.352 3.521 30 20 CHED Cc1cccc(OCCN(C)[C@@H](C)c2cccc(C#N)c2)c1 487664883 HDCFSOOAWJDRBD-INIZCTEOSA-N 294.398 3.939 30 20 CHED C=C(CN[C@@H](C(=O)OC)c1ccccc1C)c1ccccc1 487860462 UQDFHBBDOZDOHD-GOSISDBHSA-N 295.382 3.512 30 20 CHED CC[C@H](N=c1ccc(C#N)c(C)[nH]1)c1cc(F)ccc1F 488062566 GWQAZNZDJIVFGW-HNNXBMFYSA-N 287.313 3.525 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H](C)c1ccccc1Cl 498109493 AMZVWMBRCHHTNY-MNOVXSKESA-N 283.824 3.825 30 20 CHED CCOc1ccc(CNc2cc(C#N)ccc2OCC)cc1 500974898 VJCWUYVHRGZAQF-UHFFFAOYSA-N 296.370 3.968 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1cccc(F)c1 503572615 GUJQPDZLPRXIMZ-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED C=C(C)CCc1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1 508644061 SRLPDHHYAVKJES-VQHVLOKHSA-N 285.303 3.657 30 20 CHED C=C(CNC(=O)N1CCC[C@@H]2CCC[C@H]21)c1ccccc1 512662467 XPUWWRJJVRTYKW-DLBZAZTESA-N 284.403 3.674 30 20 CHED C=C(C)CN(CC)C(=O)c1nc2ccccc2cc1Cl 515714587 XYOFMBQOVXAELO-UHFFFAOYSA-N 288.778 3.926 30 20 CHED N#CCc1ccccc1NC(=O)c1csc2c1CCCC2 517245623 WZKXCOLLKQCHQC-UHFFFAOYSA-N 296.395 3.945 30 20 CHED N#Cc1ccc(CNCCc2cc3ccccc3o2)c(F)c1 533309178 LHFVCVXBDNNSJD-UHFFFAOYSA-N 294.329 3.776 30 20 CHED C=C1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 533419092 BEQHDOXXBCOAPJ-ZDUSSCGKSA-N 292.810 3.627 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)o2)[C@@H]2CCCC[C@@H]12 535072792 OVKVMZJSZVZDMH-UHOFOFEASA-N 258.365 3.552 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccnn1CC 537227017 XGSMWPKLSODCCS-UHFFFAOYSA-N 290.411 3.503 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCOC2(CCC2)C1 539060019 MDYAIJVIRHJPOL-LSDHHAIUSA-N 251.414 3.813 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cn(CCCC)nc1C 540319937 HIWVHECILQXMFP-ZIAGYGMSSA-N 263.429 3.682 30 20 CHED CS[C@@H](CNc1nc(C)cc(C)c1C#N)C(C)(C)C 544065886 ZPOQVPPGJAFQLL-ZDUSSCGKSA-N 277.437 3.760 30 20 CHED C[C@H](c1noc(C2(C#N)CCCCC2)n1)C(C)(C)C 545727645 RCTYHYGEZGYETN-LLVKDONJSA-N 261.369 3.945 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1sccc1C1CC1 546709240 GXHRYVOJNKMRAV-UHFFFAOYSA-N 298.367 3.758 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ncc(CC)o1 548425367 BVOWBSVZIATHMI-UHFFFAOYSA-N 270.376 3.815 30 20 CHED Cc1cc(C)nc(N(Cc2ccc(C#N)cc2)CC(C)C)n1 550824954 UPOMDEFBICXTIU-UHFFFAOYSA-N 294.402 3.628 30 20 CHED C=CCC(C)(C)c1noc(-c2cnc(C3CC3)s2)n1 551142372 CDKQYWBRAJPRJI-UHFFFAOYSA-N 275.377 3.924 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)Cn1ccc2ccccc21 552550698 JFKOGUZXGYBFGO-NVXWUHKLSA-N 296.414 3.845 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(OC(C)C)c1 557046252 SDYCSECHHAPCLD-INIZCTEOSA-N 274.364 3.661 30 20 CHED N#Cc1cccc(SCCCC2CCOCC2)c1 563934701 LDFKPYGKRFPARM-UHFFFAOYSA-N 261.390 3.857 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 564038050 FILGDDSDHSHMMP-INIZCTEOSA-N 296.414 3.532 30 20 CHED COc1ccccc1COc1cccc(NCCC#N)c1C 564868831 YUAFEUCYVFVDQD-UHFFFAOYSA-N 296.370 3.908 30 20 CHED C=CCC[C@@H](CO)N[C@H]1CCCc2ccc(SC)cc21 564972626 LCEMHFGJPXXWGV-YOEHRIQHSA-N 291.460 3.703 30 20 CHED Cc1cccc([C@H](C)CN=c2[nH]ccc(C#N)c2Cl)c1 569856407 DDWFBYRMUUXENL-GFCCVEGCSA-N 285.778 3.553 30 20 CHED C=CCCCCSc1nnc(OC(C)C)s1 576789728 MXRQLDLHAIGHOV-UHFFFAOYSA-N 258.412 3.774 30 20 CHED C=CCOCCCC(=O)N(CCCC)C1CCCCC1 577243967 URGDYHHRTGLOCZ-UHFFFAOYSA-N 281.440 3.931 30 20 CHED C=CCCCCS[C@H](C)C(=O)NC1CCCC1 578426802 NHZIOFGKESWIBA-GFCCVEGCSA-N 255.427 3.523 30 20 CHED C=Cc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 578891618 UGVBGENUKFMQAO-CYBMUJFWSA-N 276.339 3.692 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N[C@@H](C#N)C(C)(C)C 583442307 ZEMFAKCKPGQRTM-KBPBESRZSA-N 264.413 3.813 30 20 CHED Clc1cccc(C#CCN2CCCc3occc3C2)c1 583958108 BCWHPOQXALYAKX-UHFFFAOYSA-N 285.774 3.733 30 20 CHED N#CCCCCCC(=O)Nc1cc(Cl)ccc1F 588148296 DIXYPMCYDAFGGK-UHFFFAOYSA-N 268.719 3.892 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)cc2F)cs1 590777879 PIZJBMXDXDVRQU-NSHDSACASA-N 274.364 3.918 30 20 CHED C=CCC1(CNC(=O)CCCCCC#N)CCCC1 590879785 ZYQQDNLPFZTMEL-UHFFFAOYSA-N 262.397 3.713 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CC#N)CC1 591335602 UBTQDMWWOKWEBN-CABCVRRESA-N 291.439 3.536 30 20 CHED CCCc1ccc(CCCC(=O)N[C@@H](C#N)CCC)cc1 592613761 OTTQJODGMBXQRN-QGZVFWFLSA-N 286.419 3.770 30 20 CHED N#Cc1cccc(-c2ccc(C3(C#N)CCOCC3)cc2)c1 592987737 AFLXBRSHLMFNHJ-UHFFFAOYSA-N 288.350 3.797 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1csc(C2CCCCC2)n1 594083949 MRWAMZGYRZERDY-GFCCVEGCSA-N 291.420 3.565 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1coc2ccc(C(C)C)cc12 594091109 JUJPYJQTCFQGIJ-CYBMUJFWSA-N 284.359 3.930 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc2cccc(C)c2s1 594091695 OWJKGIHPIFRDGC-LBPRGKRZSA-N 272.373 3.584 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2ccc(C(F)F)cc2F)C1 594339002 JNMZCLLMCRWTIB-OAHLLOKOSA-N 296.292 3.529 30 20 CHED C=CCC1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 594985810 AFDYGAIIABTHLN-UHFFFAOYSA-N 290.363 3.582 30 20 CHED C[C@H]1C[C@H](NCCc2ccc(C#N)cc2)c2ccccc21 595055714 IALKGFOBIOXYPQ-LIRRHRJNSA-N 276.383 3.939 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@H](c2ccccc2F)C1 595314683 WAQZTMQZVZZLFE-YJBOKZPZSA-N 280.346 3.880 30 20 CHED CC(C)c1cccc(CNC(=O)N2CCC[C@H](CC#N)C2)c1 595583941 ZKOUGSXJOACTJJ-OAHLLOKOSA-N 299.418 3.645 30 20 CHED Cc1cc(CS[C@@H](C)c2ccc(C#N)cc2)nc(C)n1 596343012 PUFAZPREGGADCU-LBPRGKRZSA-N 283.400 3.960 30 20 CHED Cc1nocc1CSCCCOc1cccc(C#N)c1 596346630 RHRGPUBYYHAPIB-UHFFFAOYSA-N 288.372 3.557 30 20 CHED CCOc1ccc(CN2CCC[C@@](C)(C#N)C2)c(C)c1 597080911 WAGWGBNTFPKUFQ-KRWDZBQOSA-N 272.392 3.519 30 20 CHED N#CC1(CC(=O)N2C3CCCC2CCC3)CCCCC1 597302792 WPEXRPZZNHOHAM-UHFFFAOYSA-N 274.408 3.784 30 20 CHED CCc1cnccc1[C@@H](C)NC(=O)CC1(C#N)CCCCC1 597471704 ZKUPSXKHGSBTFU-CQSZACIVSA-N 299.418 3.685 30 20 CHED CN(C[C@@H]1CC=CCC1)C(=O)CC1(C#N)CCCCC1 597494523 MNZWNZYKSSVPOA-OAHLLOKOSA-N 274.408 3.665 30 20 CHED CC(C)c1cccc(C(=O)N2CCC(CC#N)CC2)c1 597497943 OVEJHNCFYJJTLU-UHFFFAOYSA-N 270.376 3.576 30 20 CHED C=CCCSCCNC(=O)c1ccc(F)cc1Cl 597973711 KHTQRJPDPDHKLI-UHFFFAOYSA-N 287.787 3.518 30 20 CHED CCN(C(=O)CCCc1ccc2c(c1)CCCC2)[C@@H](C)C#N 598348055 CNCVJAMOYRWMBS-HNNXBMFYSA-N 298.430 3.649 30 20 CHED N#Cc1ccc(-c2ccc([C@H]3CCCN3)cc2)s1 600777746 SPLWSFZHYCIQRG-CQSZACIVSA-N 254.358 3.711 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N(CC#N)c1ccc(F)cc1C 602392184 KIFIQQUTIOBXDA-UKRRQHHQSA-N 288.366 3.817 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(C(C)(F)F)cc1 602675470 LEVUIBOVCSIGAJ-LBPRGKRZSA-N 266.335 3.828 30 20 CHED COc1cccc([C@H]2C[C@@H](C)CN2CC2(CC#N)CC2)c1 602803819 GGRKOUMNWVNKES-RHSMWYFYSA-N 284.403 3.772 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)c(Cl)cc1OC 604903844 LDPVDMACZYLRJS-SNVBAGLBSA-N 282.771 3.743 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 608815672 BTJRIPNRVNFKTE-CYBMUJFWSA-N 291.354 3.743 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc3occc3s2)C1 609880168 AOCALQRVZRSHLF-MEBBXXQBSA-N 288.372 3.697 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)c1ccco1 610171140 KHRLUPSOJFYCGV-AWEZNQCLSA-N 296.370 3.694 30 20 CHED N#C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 611132677 JUQKIDJTXBTBFM-KWQFWETISA-N 299.252 3.718 30 20 CHED Cc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)c(C)n1 611476150 OOIZAXBLYAPMFX-HNNXBMFYSA-N 291.398 3.910 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCC(C(F)F)CC2)n1 613429636 POMWQQJZRAVULD-UHFFFAOYSA-N 293.361 3.732 30 20 CHED C=CC[C@H]1CCCN(C(=O)C2(C(F)(F)F)CCC2)C1 617779356 ZKOHANOJNGYZJQ-NSHDSACASA-N 275.314 3.534 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2csc(Cl)c2)C1 617779643 FUJOZWZSMATPPA-JTQLQIEISA-N 269.797 3.830 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1sccc1[N+](=O)[O-] 618693579 ZUTJMZJFYZRCEW-GFCCVEGCSA-N 285.328 3.627 30 20 CHED COc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 618802447 KMOOJVNFRSABHP-DJJJIMSYSA-N 292.382 3.905 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cccc(C(F)F)c2)C1 619273024 YEWSXGKSVSLXAT-HNNXBMFYSA-N 264.319 3.750 30 20 CHED Cc1cc(C#N)ccc1CS[C@H](C)C(=O)OC(C)(C)C 619466189 CLQWGRRJNANVTP-GFCCVEGCSA-N 291.416 3.830 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1 619746591 BKOUGCAHVZUEMT-GFCCVEGCSA-N 295.773 3.934 30 20 CHED C=CCCC(C)(C)NC(=O)c1oc(SC)cc1C 620864363 BFDJLKDLEJOXDG-UHFFFAOYSA-N 267.394 3.785 30 20 CHED C=CCN(C(=O)c1ccc(OC)cc1Cl)C(C)(C)C 622944106 DWFSMEGYPKSUFM-UHFFFAOYSA-N 281.783 3.775 30 20 CHED C=CCN(C(=O)Nc1c(Cl)cccc1OC)C1CC1 640723763 DPDHIIYLOYTKGE-UHFFFAOYSA-N 280.755 3.531 30 20 CHED C=CCN(C(=O)CCC(=O)c1cccs1)c1ccccc1 641897562 WRHSUVLVBNJOTK-UHFFFAOYSA-N 299.395 3.930 30 20 CHED C=C[C@H](CC(=O)NC1(C2CCC2)CC1)c1ccccc1 650662196 CSWLRIOIMJOJKR-CQSZACIVSA-N 269.388 3.795 30 20 CHED C=CCC1(NCc2ccc3occc3c2)CCOCC1 657634684 NZBSDNRXXHGYCD-UHFFFAOYSA-N 271.360 3.648 30 20 CHED C=CCN(CC(=O)Nc1sc(C)c(C)c1C)C(C)(C)C 661756210 FRCUMKWLXJWRCI-UHFFFAOYSA-N 294.464 3.898 30 20 CHED C=C(CNC(=O)Nc1c(F)cccc1F)c1ccccc1 672599349 KSGWNOUXJFFFMB-UHFFFAOYSA-N 288.297 3.800 30 20 CHED C=C(C)[C@@H](NC(=O)N1CC=CCC1)c1ccc(F)c(F)c1 681329760 PTGANDNOEZOUCV-OAHLLOKOSA-N 292.329 3.554 30 20 CHED C=C(C)CCNc1ccc(C(=O)NC(C)C)cc1C 685198652 UNEGZVMCOIZLCG-UHFFFAOYSA-N 260.381 3.511 30 20 CHED CCC(C)(C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 726858830 QKARATQCTKTUBJ-ZDUSSCGKSA-N 266.344 3.847 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(N(C)C)c(F)c2)c1 727653604 SISQRRVNKXTIQE-CSKARUKUSA-N 299.345 3.796 30 20 CHED Cc1ccc(C)c(OC(=O)CSc2ccc(C#N)cc2)c1 728454726 VRNASIPFAZDSMV-UHFFFAOYSA-N 297.379 3.873 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1ccc(SCC)cc1 728792729 SXTLGJZPRUQWKA-LBPRGKRZSA-N 294.489 3.900 30 20 CHED CC(=NNCCCc1ccccc1)c1ccccc1[N+](=O)[O-] 729145898 GOIXDQNVFSXGKF-UHFFFAOYSA-N 297.358 3.541 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCc1ccc(F)cc1C#N 734055982 YWPRBPDCXCEDCM-LBPRGKRZSA-N 289.350 3.957 30 20 CHED C=CC[C@@H](C)Nc1nc(C)nc2c1cnn2-c1ccccc1 735075543 AYQJBDCBUUOILO-GFCCVEGCSA-N 293.374 3.500 30 20 CHED C#Cc1ccc(C(=O)OCc2ccc3ccccc3c2)nc1 740243147 LQMGHPPUAOAUKM-UHFFFAOYSA-N 287.318 3.573 30 20 CHED COc1cc(C#N)ccc1OC(=O)C1CCCCCCC1 741519000 HKZBLERRWBJUCY-UHFFFAOYSA-N 287.359 3.833 30 20 CHED Clc1ccc(NN=C2CSCc3ccccc32)cn1 743449654 BYJIEBFTQBYXKI-UHFFFAOYSA-N 289.791 3.798 30 20 CHED N#C[C@H](C(=O)CCC(F)(F)F)c1ccc2ccccc2n1 744014949 COUMAWJJIQCDNY-NSHDSACASA-N 292.260 3.754 30 20 CHED N#Cc1ccccc1COC(=O)C1CCCCCCC1 744088534 OEUQQHNBEBVUJC-UHFFFAOYSA-N 271.360 3.962 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1cccc(O)c1 747110184 ZJMAMFPMMWFKFC-FPLPWBNLSA-N 268.312 3.605 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H]2CC23CCCC3)cc1 747311549 VNMYHJDLVTYDAS-HNNXBMFYSA-N 272.344 3.737 30 20 CHED C=CCCC(=NNCc1ccc(OC)cc1)C1CC1 747752744 CHFPVZYBWSQQHD-UHFFFAOYSA-N 258.365 3.517 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1coc2ccccc12 747754137 ZRNQFERUMVPGFQ-UHFFFAOYSA-N 280.331 3.676 30 20 CHED C#CCCOC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 748492171 YEECADHPSZQCER-KHPPLWFESA-N 282.261 3.675 30 20 CHED N#Cc1ccc(/C=C2\Cc3c(F)ccc(F)c3C2=O)cc1 749582935 TVRXKURDSCMMQM-KPKJPENVSA-N 281.261 3.659 30 20 CHED Cc1cc(F)ccc1C=NNCc1ccc(F)c(F)c1 750934465 LJZBJTUTJLLHRS-UHFFFAOYSA-N 278.277 3.536 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2C)cc1OC 750938036 ADGUHMLKZFFLJF-UHFFFAOYSA-N 288.322 3.597 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1cnccn1 751895643 PYCPGSXMBCITAD-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 753111415 FTBPMODOCODBBH-MWLCHTKSSA-N 299.201 3.765 30 20 CHED CCCCCCCCNC(=O)N1CCSC[C@H](C)C1 753178295 MYNDJRTYJUCZFH-CQSZACIVSA-N 286.485 3.741 30 20 CHED C[C@H]1CC/C(=C/C(=O)N(CCC#N)CC(C)(C)C)C1 753612445 XPJHKTPDCZWRTE-UROBUVALSA-N 262.397 3.521 30 20 CHED CCCCCCCCNC(=O)N[C@H]1CCOC(C)(C)C1 754863361 CWFQVQFMIJQZHP-AWEZNQCLSA-N 284.444 3.604 30 20 CHED C[C@@H](NN=Cc1cn(C)c2ccccc12)c1ccccc1 755664023 FRKMJRQNHUWKDR-CQSZACIVSA-N 277.371 3.863 30 20 CHED c1ccc2c(c1)OC1(CCC1)CC2=NO[C@H]1CCCCO1 755813779 INMJIANZKAUOHQ-INIZCTEOSA-N 287.359 3.639 30 20 CHED Cc1ccnc(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)c1 755907155 VTJSXSSECFQZAU-AAEUAGOBSA-N 255.321 3.552 30 20 CHED CCc1ccc(CCC=NNc2nccnc2Cl)cc1 758125500 ZJTHKUPFNWSFOJ-UHFFFAOYSA-N 288.782 3.723 30 20 CHED CCC(CCc1ccc(Br)cc1)=NNC1CC1 758129713 OVVLJNJKGLDPKA-UHFFFAOYSA-N 295.224 3.900 30 20 CHED C[C@H]1C[C@H]1C=NNc1cccc(Br)c1 758374901 ZBHJFBSPFGSGCS-IUCAKERBSA-N 253.143 3.503 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1ccc(C#N)s1)O2 759118119 SMGIIJRJGPKDQW-VIZOYTHASA-N 281.336 3.853 30 20 CHED Cc1ccc(F)cc1C(=O)OCc1cc(F)ccc1C#N 759351219 JBOIVJQQDBKTMU-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#CCCCCCOC(=O)CCc1ccc2[nH]ccc2c1 760258278 JCKZAUKBGNDAAH-UHFFFAOYSA-N 283.371 3.837 30 20 CHED C=C(CNCc1cnc(Cl)c(C)c1)c1ccccc1 760661056 BAKWHNPNDRTQEH-UHFFFAOYSA-N 272.779 3.846 30 20 CHED CC[C@H](C(=O)OCCCCC#N)c1ccc(F)cc1 764668068 XETCORIKZZHBMM-AWEZNQCLSA-N 263.312 3.556 30 20 CHED C#CCN(C(=O)N[C@H](C)CC(C)(C)c1ccccc1)C1CC1 764692900 POAABULYWCKELX-OAHLLOKOSA-N 298.430 3.550 30 20 CHED CC(C)O[C@@H]1CC(=NNc2cccc(F)c2)C1(C)C 764904943 PRPYAULAJHLBRA-CQSZACIVSA-N 264.344 3.817 30 20 CHED Cc1cc(/C=C2\COc3ccccc3C2=O)ccc1C#N 766484725 QHJQRHHCAAWCHM-OQLLNIDSSA-N 275.307 3.525 30 20 CHED C#CCCCCCC(=O)Nc1nc(C2CCC2)cs1 767101399 GYNJQIPYXVEKAJ-UHFFFAOYSA-N 276.405 3.933 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H](F)c1ccccc1 768874348 YQJUYBAOOKTFQY-AWEZNQCLSA-N 277.339 3.960 30 20 CHED N#CCCCOc1cccc(NC2CC(C(F)F)C2)c1 769471118 GESNQTVNQAAERA-UHFFFAOYSA-N 280.318 3.825 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1ccc2c(c1)COC2 769774227 OZDSJPBVZOOPBN-LSCVHKIXSA-N 287.746 3.695 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)o1 770572794 SOUGGABTBDOVDG-DAXSKMNVSA-N 269.275 3.749 30 20 CHED C[C@H]1CCC[C@H](COC(=O)c2ccccc2OCC#N)C1 770962854 WJKUVHAFOINRBF-KBPBESRZSA-N 287.359 3.572 30 20 CHED C[C@@H](C#N)CNN=C1CCCCc2ccc(Cl)cc21 771102086 DBQBFNHPOPSCIE-NSHDSACASA-N 275.783 3.520 30 20 CHED C#CCSCCN[C@@H](C)c1ccc(SCC)cc1 773011156 SUBDGAZDWYTBCN-ZDUSSCGKSA-N 279.474 3.816 30 20 CHED C=CCC[C@H](CCC)N[C@H](C)[C@H](O)c1cccc(F)c1 773045157 YGGRBFUWPFVYNU-COXVUDFISA-N 279.399 3.972 30 20 CHED CCC(=NNc1nccnc1C(C)C)c1ccccc1 773087146 XJALCINHWRGTBE-UHFFFAOYSA-N 268.364 3.826 30 20 CHED CC(C)c1ncc(/C=C/C(=O)c2sccc2O)s1 773148026 GIQSDTOFOUEUCL-ONEGZZNKSA-N 279.386 3.930 30 20 CHED CCOc1ccc(/C=N\[C@H](C)c2ccncc2CC)c(O)c1 773152058 QAEDIACVUDAHPM-UAAGNOOKSA-N 298.386 3.928 30 20 CHED C#CCCCCC(=O)OCc1ccccc1Br 773650232 FSJOULHLJCBIPX-UHFFFAOYSA-N 295.176 3.686 30 20 CHED C=C(C)CN(CC)Cc1cc(Cl)cc(F)c1O 775639684 ZBRGDHJOMLQOMO-UHFFFAOYSA-N 257.736 3.583 30 20 CHED CCCCCCCCOCC(=O)N1CC[C@@H]1C(C)C 775899030 AIOTXLVVEKLSDX-OAHLLOKOSA-N 269.429 3.620 30 20 CHED CSc1ccc(C)c(NC(=O)C#Cc2ccccc2)c1 775972842 PWNFRWGMYRZGTD-UHFFFAOYSA-N 281.380 3.707 30 20 CHED C=CC[C@H](N[C@@H]1C[C@@H](OCC)C12CCC2)c1ccncc1 776155969 JNQPZOOJEDIZRK-GVDBMIGSSA-N 286.419 3.636 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(N(C)C)cc1 776193429 YLLHOGUHSQSSLK-YFHOEESVSA-N 280.371 3.606 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2ccc3c(c2)OCO3)cc1 776769427 RTCRCWYOCHCDDY-CYBMUJFWSA-N 295.338 3.600 30 20 CHED FC(F)(F)CCON=Cc1ccc(N2CCCCC2)o1 777460459 PFAGTYWOLODJFK-UHFFFAOYSA-N 290.285 3.573 30 20 CHED COC[C@H](C)C(C)=NNc1ccc(C(F)(F)F)cc1 777889319 UXZRFMFCYFKWBB-VIFPVBQESA-N 274.286 3.776 30 20 CHED C#CCOc1cccc(Cl)c1CN(C)Cc1ccco1 779147806 MLUJUYYGEWYVDP-UHFFFAOYSA-N 289.762 3.577 30 20 CHED Fc1ccc(/C=C\C=NNc2ncncc2Cl)c(F)c1 780281482 MXNCHHFKCUCNDS-CENFTQODSA-N 294.692 3.519 30 20 CHED N#CC1(COC(=O)Cc2cc3ccccc3o2)CCCCC1 780487368 JWMXDSOOHUBFEB-UHFFFAOYSA-N 297.354 3.993 30 20 CHED Cc1cccnc1C=NNc1cccc2c1CCCC2 781590369 YRJZMEFUZDGYHF-UHFFFAOYSA-N 265.360 3.715 30 20 CHED FC(F)(F)c1ccc(NN=C[C@@H]2CCSC2)cc1 782254031 LKNFKLXDSKSOIK-VIFPVBQESA-N 274.311 3.856 30 20 CHED Cc1cc(/C=C/C(=O)c2ccncc2)cc2cccnc12 783697106 MTXAYEYENXHJLF-SNAWJCMRSA-N 274.323 3.834 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 783718768 ROKQPHBXYAPPAG-RDJZCZTQSA-N 286.419 3.845 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc(Cl)c1F 784168011 SAZUVDYBQKARQV-UHFFFAOYSA-N 283.730 3.966 30 20 CHED Cc1cc(COC(=O)c2ccc(C(C)C)nc2)ccc1C#N 784299185 GCECOZRVVVTJNY-UHFFFAOYSA-N 294.354 3.742 30 20 CHED C=C[C@](C)(CC)C(=O)NC1CCC(N2CCCCC2)CC1 785411830 XSWCHGKACXZDME-LEOMRAHMSA-N 292.467 3.502 30 20 CHED C=CCCN(C)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 786443245 IEJOYIJBZVTLAK-CQSZACIVSA-N 288.435 3.819 30 20 CHED C(=NNc1ncnc2sccc12)c1cc2ccccc2[nH]1 788421046 OSDQYTNWCPGSEL-UHFFFAOYSA-N 293.355 3.619 30 20 CHED CCCCCCCCC[S@](=O)Cc1nnc(C)s1 790137903 IKEFOUWEFZQWRG-SFHVURJKSA-N 288.482 3.846 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NNCC1(C)CCCC1 793084483 PAWOECFVHIHLTM-UHFFFAOYSA-N 296.846 3.701 30 20 CHED Clc1cccc(NN=Cc2cccc3cccnc23)n1 793160411 AFMADCDGZAARJF-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1CCN(C2CC2)C1 793526338 QPQLMGWVZLHMEY-JKSUJKDBSA-N 264.457 3.585 30 20 CHED CCCc1ccc(C(C)=NOCCSC)cc1 794574749 NXCWEEPCHGXKTO-UHFFFAOYSA-N 251.395 3.743 30 20 CHED CSC[C@H](C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797571062 NDDOCZLHIMVWDT-UWVGGRQHSA-N 296.461 3.616 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1 798669938 QMNWSLWFPHFYRR-NSHDSACASA-N 299.292 3.898 30 20 CHED COc1cc(/C=C2/CCc3sccc3C2=O)ccc1C#N 799497547 UKJVQSVGZYPBSV-WQLSENKSSA-N 295.363 3.841 30 20 CHED Cc1ccc(OC(=O)/C=C\c2ccccc2C#N)cc1C 799584773 LLLKEIMDMWDPHU-NTMALXAHSA-N 277.323 3.794 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1cc(C)n(C)n1 799884554 GUNGHSJZANWKMC-UHFFFAOYSA-N 296.296 3.583 30 20 CHED CCC(CC)[C@@H](NCCO[C@H](C)C#N)c1cccs1 801937108 DOSPRMNEEQGHQY-IUODEOHRSA-N 280.437 3.744 30 20 CHED C=C(Cl)CNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 805131446 JEODNVCZVTYHDU-SMDDNHRTSA-N 278.783 3.532 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccccc1SC(F)F 806152514 XHCRORINLAKRQB-SNVBAGLBSA-N 298.358 3.925 30 20 CHED C=CCCCCCCNC(=O)Nc1ccnn1CC1CC1 806438108 XLAYFSSFAAPGKC-UHFFFAOYSA-N 290.411 3.551 30 20 CHED CCCC[C@H](C)C(C)=NNc1ccc(S(C)(=O)=O)cc1 807963399 UDDVBEHIHLHESX-LBPRGKRZSA-N 296.436 3.704 30 20 CHED CC(C)=CCC[C@@H](C)CC=NN[C@@H]1CCSC1 808001130 GHIVMNWANNBUBG-ZIAGYGMSSA-N 254.443 3.840 30 20 CHED C#C[C@H](C)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 809682946 JPLYFAWLZBTZQB-GLQYFDAESA-N 281.321 3.953 30 20 CHED C#Cc1ccccc1CC(=O)NC[C@@H](CC)c1ccccc1 809965824 NZGPVVARWVKPHY-QGZVFWFLSA-N 291.394 3.520 30 20 CHED Cc1ccc(C)c(C=NN[C@H](C)COc2ccccc2)c1 811665288 NFLZODHGMRGZMA-MRXNPFEDSA-N 282.387 3.694 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 811990775 ACUPQKAUWRIZCO-UWVGGRQHSA-N 299.201 3.718 30 20 CHED CC(C)c1ccc(C=NOC2CCC2)cc1[N+](=O)[O-] 812236056 VIBWRVMGJJOLTB-UHFFFAOYSA-N 262.309 3.621 30 20 CHED CC(C)c1cnc(C=NNc2ccc(F)cc2F)s1 814686653 VAWLIEWRWWBZEN-UHFFFAOYSA-N 281.331 3.991 30 20 CHED CCC(=NOC1CCCCC1)c1ccc(F)cn1 814909323 HDJHVOPMPKSBNJ-UHFFFAOYSA-N 250.317 3.684 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 814936934 OKSQQOLZUCSABZ-GFCCVEGCSA-N 297.345 3.862 30 20 CHED Fc1cccc(C=NNc2ccc(F)c(F)c2F)c1 814945224 RCBPDMUVOUSARY-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C#Cc1cccc(N[C@H]2CCC[C@@H](CCCC(=O)OC)C2)c1 815135570 PNFQVBWBVMLUDG-WMZOPIPTSA-N 299.414 3.982 30 20 CHED C=CCC(F)(F)C(=O)N1CCc2ccccc2C1(C)C 815943133 GEQFVYXIJSTIGF-UHFFFAOYSA-N 279.330 3.518 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](CC)CC(F)(F)F)c1ccccc1 827395231 FVJVSGRQWFWXPJ-GXTWGEPZSA-N 297.320 3.846 30 20 CHED CC(C)C#CC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl 831329506 AEBVSAAJACSBPG-LLVKDONJSA-N 298.213 3.700 30 20 CHED Fc1cc(NN=C2CCC(OC3CCCC3)CC2)ccn1 834972548 CVWRXQHTZJFWNY-UHFFFAOYSA-N 291.370 3.890 30 20 CHED COc1ccccc1CON=C1CCC(C)(C#N)CC1 834976308 WPRJTFUEJNIJSM-UHFFFAOYSA-N 272.348 3.672 30 20 CHED Cc1ccc(-c2nc(COC(=O)C#CC(C)(C)C)co2)cc1 838377407 NFIDNVWJFFKCDQ-UHFFFAOYSA-N 297.354 3.743 30 20 CHED C#CCC[C@H](C)OC(=O)c1scnc1C1CCCC1 839043652 UCPDNPBUMWOPFR-NSHDSACASA-N 277.389 3.759 30 20 CHED CSc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 839053802 FDQKNIYLJLXOHY-AAEUAGOBSA-N 275.373 3.648 30 20 CHED C[C@@H]1CC=CC[C@@H]1COC(=O)[C@@]1(C#N)CC12CCCC2 839210960 ATFSBLQQDITRPQ-CPUCHLNUSA-N 273.376 3.606 30 20 CHED COc1cccc(NN=Cc2ccc(Cl)s2)c1 839407879 SRGFVYCSFJZHAG-UHFFFAOYSA-N 266.753 3.856 30 20 CHED Cc1ccc(C(=O)OCCCCC(C)(C)C#N)nc1C 840599263 LHTUKBRHUVUJRG-UHFFFAOYSA-N 274.364 3.575 30 20 CHED C=CCNC(=S)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 840862411 GDCRLLPAFXHEFA-HZPDHXFCSA-N 288.460 3.705 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)C[C@@H]1CCOC1 840887715 NKNAZTBZYNZYAJ-RYQLBKOJSA-N 273.420 3.579 30 20 CHED N#C[C@@H](C(=O)Cc1ccsc1)c1nc(C2CC2)cs1 842940124 XQEMPBJKPGPQEY-NSHDSACASA-N 288.397 3.501 30 20 CHED C=C[C@@H](C)ON=C(CCCOC)c1ccc(F)cc1 844624935 KHLVNFTUDNMCPB-GFCCVEGCSA-N 265.328 3.548 30 20 CHED C=C[C@@H](C)ONC(=O)N(Cc1ccc(Cl)cc1)C1CC1 845640046 UNCONQPQJYOXOQ-LLVKDONJSA-N 294.782 3.520 30 20 CHED CC[C@H](NCc1cc(Cl)ccc1OCC#N)C1CC1 852555658 XNQDYXLEBDEJLQ-AWEZNQCLSA-N 278.783 3.521 30 20 CHED Cn1nc(/C=C\C(=O)C2CCCCC2)c2ccccc21 853002910 YMCMUYDMCHNOBF-QXMHVHEDSA-N 268.360 3.736 30 20 CHED CCCCOc1ccccc1/C=C1/CCn2nccc2C1=O 853010111 VJXJATCZGVDJPJ-SQFISAMPSA-N 296.370 3.732 30 20 CHED C#Cc1cccnc1NCc1ccccc1COC(C)C 853143227 PBXWIPUBGNELRZ-UHFFFAOYSA-N 280.371 3.600 30 20 CHED C[C@H]1CCCCN1N=Cc1cscc1Br 853381540 FNVQFHJBWJKUIR-VIFPVBQESA-N 287.226 3.719 30 20 CHED Cc1ccc(-c2cnc(CON=CC3CC3)o2)cc1 853735033 LWDLWXKGDYQTPZ-UHFFFAOYSA-N 256.305 3.562 30 20 CHED C#CCCOC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 858943865 CLHKVLDKSRUFEX-ZDUSSCGKSA-N 291.416 3.998 30 20 CHED CC(C)CN(CCC#N)Cc1ccc2cc[nH]c2c1 862213901 XYULSSJISQGHRD-UHFFFAOYSA-N 255.365 3.540 30 20 CHED CCCC(=NNc1ncncc1F)c1cc(C)sc1C 863115821 ZQLODAIUSHRVNH-UHFFFAOYSA-N 292.383 3.910 30 20 CHED Cc1cccc(NN=C2CCCCc3ccc(N)cc32)n1 863160574 KOQMLVGUENXQOJ-UHFFFAOYSA-N 280.375 3.515 30 20 CHED CCCCCCCNC(=O)N(C)Cc1ccccc1O 875764454 CANWHDBBOIGTOG-UHFFFAOYSA-N 278.396 3.504 30 20 CHED CCC(CC)c1cc(CNc2ccc(C)nc2C#N)on1 882021108 OQQHYPKBHHNBPH-UHFFFAOYSA-N 284.363 3.765 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2cccc(CC#N)n2)cc1 882478415 TZQXSMQMOZYSSD-UHFFFAOYSA-N 293.370 3.697 30 20 CHED C=C1CCC(C(=O)OCCc2noc3ccccc23)CC1 885649765 JJCIODOODIUACH-UHFFFAOYSA-N 285.343 3.660 30 20 CHED CC(C)(CCC#N)CNC/C=C\c1cccc(F)c1 886117079 ZFYSXJBHGNUZNT-DAXSKMNVSA-N 260.356 3.758 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 887822853 XCFJOUZYWXKVML-LBPRGKRZSA-N 263.356 3.947 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1cccc2cccnc12 890381192 IZMIUXBGSLRMKZ-UHFFFAOYSA-N 268.360 3.800 30 20 CHED C#CCCCC(=O)N1CC=C(c2cccc(C)c2C)CC1 891343987 MGEPKGILYXSDLD-UHFFFAOYSA-N 281.399 3.723 30 20 CHED CC(C)(C)c1cccc(C(=O)Nc2ncc(C#N)s2)c1 896493024 ZOKJSPHBJIWKGL-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C=C1CC(c2noc(-c3c(-c4cccnc4)noc3C)n2)C1 896876714 KRCYPWCVWLNKSW-UHFFFAOYSA-N 294.314 3.529 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1cccc(F)c1 901173209 SDERTRSYVIFQLS-UHFFFAOYSA-N 274.343 3.666 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2ccnc(C(F)(F)F)c2)no1 904076401 QFNUGVZHPJBTAS-VIFPVBQESA-N 297.280 3.905 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2nc(CC)cs2)CCC1 910734393 UKZAGXUIKAUBBT-LLVKDONJSA-N 278.421 3.629 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCN2CCCC[C@@H]12 915633835 HARDYQHQTFMPBB-SJORKVTESA-N 294.483 3.870 30 20 CHED CC(C)(C)n1cc(C=NNc2ccc(Cl)cc2)cn1 915933507 YFSCTILKVCDXLV-UHFFFAOYSA-N 276.771 3.738 30 20 CHED Cn1cccc1C=NNc1ccc(Cl)c(Cl)c1 916249985 QTFMEKAPSARLMD-UHFFFAOYSA-N 268.147 3.778 30 20 CHED CCOc1ccc(C=NN[C@H](C)c2ccccc2)cc1OC 920386101 PZSZJVUHDZUFJQ-CQSZACIVSA-N 298.386 3.779 30 20 CHED C=C1CC(c2noc([C@H](C)c3ccccc3C)n2)C1 924122344 FDWWHKRDCCKHJI-GFCCVEGCSA-N 254.333 3.963 30 20 CHED C=CCC1(c2nc(Cc3cccnc3Cl)no2)CCC1 924241536 LXSKWTIUUCMFSF-UHFFFAOYSA-N 289.766 3.707 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(c3cccc(F)c3)CCC2)C1 926921426 DWFWYIIZTUAEIP-XJKSGUPXSA-N 272.367 3.529 30 20 CHED CN(CCCCC1(C#N)CCC1)Cc1cccc(O)c1 929777393 LJUHJQWGXZGHTI-UHFFFAOYSA-N 272.392 3.688 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCn2c(Cl)ccc2[C@@H]1C 936008650 ROOJXRBVSNFDDC-RYUDHWBXSA-N 280.799 3.647 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1OCC 936036264 DYRRATXNNPVXFP-LLVKDONJSA-N 292.335 3.534 30 20 CHED CCCCCCCN1Cc2ccc([N+](=O)[O-])cc2C1 1116209593 QYNCCLCKLDBQAF-UHFFFAOYSA-N 262.353 3.881 30 20 CHED CC[C@@H](C(=O)N[C@@H](C#N)C1CCCC1)c1ccc(F)cc1 1119446786 XNMYYTWQZFEGKK-CVEARBPZSA-N 288.366 3.518 30 20 CHED C=C(C)CCC(=O)N(CC(F)(F)F)C1CCCC1 1121074930 XVBWFZSDOBBMQL-UHFFFAOYSA-N 263.303 3.676 30 20 CHED Cc1ccc(F)cc1[C@H](C)OC(=O)c1sccc1C#N 1127649941 MMDLPBGTHFGIDY-JTQLQIEISA-N 289.331 3.985 30 20 CHED N#Cc1ccc(CCN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 1182854605 JTOMVHUKKJFMDT-HVMFNXBNSA-N 280.415 3.515 30 20 CHED CN(CCc1ccc(Cl)cc1)CCc1ccc(C#N)cc1 1208925997 CXNOZOKNVZSEEQ-UHFFFAOYSA-N 298.817 3.929 30 20 CHED CC[C@H](C)c1nnc(-c2cc3ccccc3n2CC#N)o1 1257868825 UTCPFBOSMJDLFX-NSHDSACASA-N 280.331 3.728 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 1262654593 LEEJHWJAUNVUDA-OAHLLOKOSA-N 295.386 3.648 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2cccc(CC#N)c2)c1 1310751176 IJUXGWLUZLOOEM-UHFFFAOYSA-N 293.370 3.691 30 20 CHED N#Cc1cc(F)c(NCc2ccc3c(c2)CCC3)c(F)c1 1318230360 PSASASJJTXKDAI-UHFFFAOYSA-N 284.309 3.937 30 20 CHED N#CCOc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)cc1 1318799578 SJSYDRPBBPEYBH-DLBZAZTESA-N 284.403 3.601 30 20 CHED CCC(=NNCc1ccc(F)cc1)c1ccc(C#N)cc1 1324735937 KICLGTXVUKRTQC-UHFFFAOYSA-N 281.334 3.601 30 20 CHED C[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccc(F)cc1F 1326587795 VLJCSEHBSYQHMD-LLVKDONJSA-N 295.329 3.941 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc(-c2ccccc2)s1 1329887821 MGRRIIKRZVSWDN-ZDUSSCGKSA-N 284.384 3.789 30 20 CHED C[C@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)C1CCC1 1334259285 AXJDQJMLVWHWLE-ZDUSSCGKSA-N 282.387 3.880 30 20 CHED CCCn1ncnc1CSCCCCC1(C#N)CCC1 1336252971 HSNDSQQAUPAXDQ-UHFFFAOYSA-N 292.452 3.785 30 20 CHED CC(C)[C@@H](C(=O)N(C)[C@H](C)CC#N)c1cccc(Cl)c1 1339160337 GFCALKUQDYKGBH-IUODEOHRSA-N 292.810 3.840 30 20 CHED CCc1cccc(C)c1NC(=O)c1ccc(C#N)cc1OC 1349564799 ONCHWWHUVJYDIB-UHFFFAOYSA-N 294.354 3.690 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC12CCC2)c1nc2cccc(Cl)c2[nH]1 1349759823 CSEZYTXUIINESV-ZJUUUORDSA-N 299.761 3.583 30 20 CHED C[C@@H](C(=O)N(C)c1cccc(C#N)c1)c1ccc(Cl)cc1 1351390692 LPVNZKWDOCSAPP-GFCCVEGCSA-N 298.773 3.978 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C)cnc1Br 1355036261 QOSHATUPNYRDFP-UHFFFAOYSA-N 297.196 3.693 30 20 CHED Cc1ccc(C(=O)N2CCc3c(C#N)cccc32)c(Cl)c1 1436919728 QZFGQKHSXWZRSW-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@]2(C)CC2(C)C)n1 1458494733 CFNMCDDDXPMYNI-MRXNPFEDSA-N 257.381 3.851 30 20 CHED CCC[C@H](CC)C(=O)N1CCCc2cc(C#N)ccc21 1460305295 ZUQDETGZZRCLNA-AWEZNQCLSA-N 270.376 3.664 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(/C=C\c2ccccc2)cs1 1465081915 VFOJWVSJTRBFIF-LJTDUEICSA-N 297.383 3.802 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CSC1CC1)c1cccs1 1515586468 CAUKKHMJTLQFKR-QMTHXVAHSA-N 295.429 3.778 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2ccc(C#N)cc2F)C1 1529095091 NIDIQKBIEZIQON-ZDUSSCGKSA-N 288.366 3.644 30 20 CHED C=CC[C@@H]1CC[C@H](Nc2ccc(C(=O)O)cc2OC)C1 1588770640 BRHPDTLLOAODCH-YPMHNXCESA-N 275.348 3.550 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCC[C@@H](CCCC(=O)O)C1 1603592324 YCVPJYSVKIPCTF-LSDHHAIUSA-N 294.439 3.720 30 20 CHED O=C(O)c1cc(NN=C2CCCC23CCC3)ccc1F 1608856832 SOYJLENFHFDRKZ-UHFFFAOYSA-N 276.311 3.646 30 20 CHED C=C(Br)CN(CC)[C@H]1CCCC[C@@H]1C 1617217013 PODMERSDNNCKMS-JQWIXIFHSA-N 260.219 3.796 30 20 CHED C[C@@H]1CCCC[C@]1(C)NCCc1ccc(C#N)cc1 1618388219 YGFZBKQRMAABAW-PBHICJAKSA-N 256.393 3.659 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1C(C)(F)F 1627844293 GIUAGWZQAVLZPR-UHFFFAOYSA-N 289.285 3.559 30 20 CHED N#Cc1cc(=N[C@@H]2CCCC[C@@H]2Cc2ccccc2)cc[nH]1 1642220910 DXHWRQUZBVBXLY-VQIMIIECSA-N 291.398 3.589 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@H](C2CCC2)C1 1643422066 TXDJOYXAEKZDTH-AWEZNQCLSA-N 274.795 3.834 30 20 CHED CC(C)(C)[C@H]1CSCCN1Cc1ccc(C#N)s1 1648158602 OSEKQICUEOCMPD-CYBMUJFWSA-N 280.462 3.583 30 20 CHED C[C@H](c1cccc(O)c1)N(C)c1nc(Cl)c(C#N)s1 1651590249 RGENTSBBVPQOSK-MRVPVSSYSA-N 293.779 3.571 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 1683545807 ZCCBJKVNULVRGV-STQMWFEESA-N 286.847 3.891 30 20 CHED Cc1c(NN=C2CC[C@@H](C)[C@@H](C)C2)cccc1C(=O)O 1776087751 UFVODCYTMYIVLK-MNOVXSKESA-N 274.364 3.917 30 20 CHED C=C(C)CN(CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 215914 BRUPFGLQOFFLOP-UHFFFAOYSA-N 268.744 3.646 30 20 CHED N#Cc1ccccc1NC(=O)CCCc1cccs1 19516563 FEXAAZLTAPIZJR-UHFFFAOYSA-N 270.357 3.581 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCC2)c2cccnc12 31096310 YGHHIVFWOTVDQQ-UHFFFAOYSA-N 279.343 3.566 30 20 CHED Cc1oc(C)c(C(=O)[C@H](C#N)c2nc3ccccc3o2)c1C 41541152 BOZZPVQYQBACIB-LBPRGKRZSA-N 294.310 3.836 30 20 CHED C[C@@H](c1cccs1)N(C)CCOc1ccc(C#N)cc1 42315350 FHTOSUFVRICVOM-ZDUSSCGKSA-N 286.400 3.692 30 20 CHED CCC1CCC(N(C)C(=O)c2cccc(C#N)c2)CC1 42355278 KXNVPJGYDUVAEA-UHFFFAOYSA-N 270.376 3.599 30 20 CHED Cc1cc([C@H](C)Nc2nc3c(cc2C#N)CCC3)c(C)o1 44730820 ZHUCSZVYGXBPEU-NSHDSACASA-N 281.359 3.825 30 20 CHED CC[C@@H](NCc1cccc(OCC#N)c1)c1cccs1 49529419 KOCPNWPSDVMAOY-OAHLLOKOSA-N 286.400 3.891 30 20 CHED CCOc1cc(C#N)ccc1OCC(=O)c1ccccc1C 53488601 KWWRFBCYWHWJKS-UHFFFAOYSA-N 295.338 3.527 30 20 CHED N#Cc1ccc(OCCCOc2cc(F)cc(F)c2)cc1 54933064 SYTVSLDSDSKJME-UHFFFAOYSA-N 289.281 3.684 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1ccc(CC#N)cc1 58241224 BNGJJKZIYLJIQZ-UHFFFAOYSA-N 272.392 3.697 30 20 CHED CCCCCCCCOCC(=O)Nc1ccc(C#N)cc1 59087825 GHROONSHUBEAEG-UHFFFAOYSA-N 288.391 3.874 30 20 CHED CCCCc1nc(COc2cccc(C#N)c2)cs1 60804106 RFMOAQKMGVYOJJ-UHFFFAOYSA-N 272.373 3.936 30 20 CHED CN(Cc1ccccc1)c1ccc(C#N)c(Cl)c1 61850703 FTSIIWYAGXCHTD-UHFFFAOYSA-N 256.736 3.848 30 20 CHED C[C@@H](C#N)CN(C)CCCOc1ccc2ccccc2c1 68969593 YQTDVRSDHLBEDW-HNNXBMFYSA-N 282.387 3.700 30 20 CHED Cc1cc(C)c(C)c(S(=O)(=O)/N=C(\O)CC(C)C)c1C 69603693 IZGYQTUXEHFNBE-UHFFFAOYSA-N 297.420 3.612 30 20 CHED CCc1c(C)sc(NC(=O)CC2CCC2)c1C#N 74729465 LNHJNRRTJGSUHO-UHFFFAOYSA-N 262.378 3.619 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1Cl 77666680 BSJQPJACXTWSJB-UWVGGRQHSA-N 284.762 3.804 30 20 CHED C[C@@H](C[C@@H]1CCCO1)Nc1ccc(C#N)cc1C(F)(F)F 77961959 PAWPNPKOGDFISY-JQWIXIFHSA-N 298.308 3.947 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(C#N)cc2)n1 80458963 DTMSIMJLNVAOTN-ZDUSSCGKSA-N 295.367 3.628 30 20 CHED N#Cc1ccc(C[S@](=O)c2ccc(F)c(Cl)c2)cc1 83078419 MMVQBHHOKSAUIG-LJQANCHMSA-N 293.750 3.659 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc2cc[nH]c2c1 104545967 SFONEOOHJDHCQH-UHFFFAOYSA-N 297.402 3.960 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1nc(C)cs1 105503678 RKAOJLGJBMSKSO-CQSZACIVSA-N 271.389 3.564 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)c2ccccc2F)c1 108960109 FWIPOKGOPCWLME-GFCCVEGCSA-N 267.303 3.549 30 20 CHED CC(C)(C)n1cnnc1S[C@H](C#N)C1CCCCC1 115187816 MWMROCGOTMEPNX-GFCCVEGCSA-N 278.425 3.598 30 20 CHED C=CC[C@@H](C)NCc1ccccc1OCc1cccnc1 116926368 ZAXLUQIYSSTOLX-OAHLLOKOSA-N 282.387 3.715 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1ccc(F)cc1OCC#N 120325032 ACHPXHYSQHJNPZ-LBPRGKRZSA-N 292.354 3.739 30 20 CHED C=C(Cl)CSc1nnc(-c2cccc(C)c2)n1C 120976593 WRQNKZZBSNCDSZ-UHFFFAOYSA-N 279.796 3.635 30 20 CHED CC(C)(C#N)CN[C@H]1CCc2cc(Br)ccc21 122234049 DNIXHJZRMGDRON-ZDUSSCGKSA-N 293.208 3.576 30 20 CHED COc1ccc(C)cc1NCc1ccc(F)c(C#N)c1 123630825 YITLHYMZRSNSCR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCCCCCCCC(=O)Nc1cccc(C(N)=O)c1C 124194844 YTCOTRCJOJHQOW-UHFFFAOYSA-N 290.407 3.783 30 20 CHED Cc1csc(CSCCOc2ccccc2C#N)n1 126826543 MPKDQGNPRHFVGN-UHFFFAOYSA-N 290.413 3.635 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2cc(C)cc(C)c2)o1 127276104 ZNMHSXZNCHOPHD-LBPRGKRZSA-N 273.361 3.748 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc([N+](=O)[O-])c(O)c1 129527154 LEFMWKIFOPWLFF-VQHVLOKHSA-N 283.283 3.505 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](c1ncccc1C)C(C)C 133826399 LRQBYYKEKFNGNE-MRXNPFEDSA-N 286.419 3.972 30 20 CHED C=CCCC(=O)CSc1nnc(-c2ccccc2C)o1 134642134 WOCWCUUGBOZQMW-UHFFFAOYSA-N 288.372 3.672 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1CCOc2ccccc21 135242654 UFPWIMRBALULIB-GFCCVEGCSA-N 282.318 3.676 30 20 CHED C[C@H]1C[C@@H](C)CN1c1ccc(C#N)cc1Br 135516712 GUZWUDPSIFUYJV-ZJUUUORDSA-N 279.181 3.555 30 20 CHED C=CCCCCCN(C)Cc1cccc(NC(C)=O)c1 150876898 OTLKVPPCBYDMJU-UHFFFAOYSA-N 274.408 3.823 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)[C@H](C#N)c1ccccn1 152263627 XBQKNSZYJCURKS-UONOGXRCSA-N 270.376 3.864 30 20 CHED C=CCC[C@@H](NC(=O)Nc1ccccn1)c1ccccc1 153296116 QNMOTDIVPRRPDK-OAHLLOKOSA-N 281.359 3.911 30 20 CHED CCC[C@@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 153356636 CYJPKWKVIGPWIX-GDBMZVCRSA-N 272.392 3.974 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(C(C)C)cc1 155450350 GPEYWTGEYJPHEC-ZDUSSCGKSA-N 259.353 3.624 30 20 CHED CN(Cc1cc(F)cc(F)c1)Cc1cc(C#N)ccc1F 156508898 ZCUCYNQUNBTBAV-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C=C(C)CNC(=O)Nc1ccc(F)cc1C(F)(F)F 157311470 YYNLCOIRTJPPRA-UHFFFAOYSA-N 276.233 3.542 30 20 CHED C=CCN(Cc1nnc(C)n1CCC)CC1CCCCC1 157988838 HLOARWLVGYZCAK-UHFFFAOYSA-N 290.455 3.565 30 20 CHED N#CCCCCSc1nc2ccccc2c(=O)n1C1CC1 160567942 XFOXJMNYVQVZGR-UHFFFAOYSA-N 299.399 3.517 30 20 CHED C=C(C)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C 161253727 RDUWNQBJDBCVSE-UHFFFAOYSA-N 290.363 3.564 30 20 CHED C=CCCN[C@H](C)c1ccc(Br)cc1F 168516513 QYUUVUCGOAQLFA-SECBINFHSA-N 272.161 3.815 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)NCCCCC#N 170886308 XVMPKONPGQCCKW-MRXNPFEDSA-N 285.391 3.535 30 20 CHED Cc1cccc(C(=O)/C=C/c2cnn(C(C)C)c2)c1 171981524 CRUKHTDWXCBIBE-BQYQJAHWSA-N 254.333 3.669 30 20 CHED C[C@@H](C(=O)N(CCC#N)CC1CC1)c1cc2ccccc2o1 176300299 UBFFQCXQWAYOJM-CYBMUJFWSA-N 296.370 3.689 30 20 CHED C[C@H]1c2cccn2CCN1Cc1ccccc1C(C)(C)C#N 178510694 DZBYGHXRWVPNKA-HNNXBMFYSA-N 293.414 3.866 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1F)c1c(C)noc1C 179326080 RYAXDQUJAUXYIC-OAHLLOKOSA-N 287.338 3.543 30 20 CHED C#CCCCCC(=O)N1CCCCC[C@H]1c1ccco1 180208189 YDJDKKPJVZWQKB-HNNXBMFYSA-N 273.376 3.917 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1c[nH]c(C#N)c1 181293844 ULUNMMACSCBXBD-QGZVFWFLSA-N 295.386 3.712 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C1C(C)(C)C1(C)C 182072759 NCIYZLRIMDFJMS-LLVKDONJSA-N 286.375 3.598 30 20 CHED Cc1ccccc1C1(CN[C@@H]2CCC[C@@H](C#N)C2)CC1 185809186 HIPAQHKJYNAOFZ-HZPDHXFCSA-N 268.404 3.699 30 20 CHED C=C(C)[C@@H](NC(=O)NCCCC)c1ccc(F)c(F)c1 187047002 ZPMFPQVHLURUDM-CQSZACIVSA-N 282.334 3.681 30 20 CHED C=CC[C@H](C(=O)N[C@@H](COCC)C(C)C)c1ccccc1 189535592 RJBXAXNMEYIDKK-IRXDYDNUSA-N 289.419 3.524 30 20 CHED C=C[C@@H](CC(=O)N1CCS[C@H](C)CC1)c1ccccc1 191390861 PCCNCFOUILBFDK-CABCVRRESA-N 289.444 3.700 30 20 CHED CCCc1cccc(C(C)C)c1NC(=O)CSCC#N 191547242 LAODZDJUOGVBLS-UHFFFAOYSA-N 290.432 3.958 30 20 CHED C=CCc1ccc(OCc2nccn2C(F)F)c(OC)c1 192782279 OOLVJUXYURNAIG-UHFFFAOYSA-N 294.301 3.594 30 20 CHED Cc1csc([C@@H](N[C@H]2CCC[C@H](C#N)C2)C2CC2)n1 192902340 KFRYZAUQXRSDMV-UBHSHLNASA-N 275.421 3.575 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccccc1CCc1ccccc1 194713446 DBDITBPXVZWFPJ-HNNXBMFYSA-N 292.382 3.504 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(OC)c2F)o1 195503014 YBBSFLSFAGOCCL-VQHVLOKHSA-N 274.291 3.886 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc(O)c(Cl)c2)cn1 208117947 FUKIRNJKEXWWCR-HYXAFXHYSA-N 290.750 3.719 30 20 CHED C=CCOc1ccccc1C(=O)NCCCc1ccccc1 219750692 GJUJGCVSAITOIG-UHFFFAOYSA-N 295.382 3.614 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)O)c(F)c1 224835641 LQHGDNVBUDQDQR-UHFFFAOYSA-N 281.327 3.823 30 20 CHED CCCC[C@@H](CCC)NC(=O)C(C#N)(CC)CC 226028895 XLRPNYZZLKUCPD-CYBMUJFWSA-N 252.402 3.791 30 20 CHED N#Cc1sc(NCC(C2CC2)C2CC2)nc1Cl 236057244 NFYSQMFEFCOXFD-UHFFFAOYSA-N 267.785 3.516 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1ccccc1 246150608 DSTVVCHVYQMOQO-TWMKSMIVSA-N 269.388 3.856 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl 248575796 PEESZSQPCBFVMD-MISXGVKJSA-N 278.783 3.703 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCCOc3cc(F)ccc32)C1 248898579 UFENXRGTXUQQKT-IVMMDQJWSA-N 288.366 3.711 30 20 CHED CC(C)(CCC#N)CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 253028353 PDRODDFPDWEVFN-DGXTUMSLSA-N 260.425 3.731 30 20 CHED O=C(/C=C\c1cccnc1Cl)c1cccc([N+](=O)[O-])c1 255112995 SLALXMVTEOSMOW-SREVYHEPSA-N 288.690 3.539 30 20 CHED O=C1/C(=C/c2cccs2)COc2c(F)cc(F)cc21 255121205 DCLJWZYAYPYPCH-XBXARRHUSA-N 278.279 3.685 30 20 CHED Cc1cccc(/C=C\C(=O)c2cncc(F)c2)c1C 255268223 ZHCBQAYLWDVTQD-SREVYHEPSA-N 255.292 3.734 30 20 CHED C=CCOCCCC(=O)N(Cc1ccccc1F)C(C)C 266318135 VUZVVXIVOCJLSF-UHFFFAOYSA-N 293.382 3.546 30 20 CHED N#CCSCC(=O)N(c1ccsc1)C1CCCCC1 278282959 ANZWKTRDUMJRDC-UHFFFAOYSA-N 294.445 3.671 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 278306680 SZHLLCLIRBDHCM-KRWDZBQOSA-N 284.403 3.974 30 20 CHED C=CC[C@H](C(=O)Nc1ccn(C(C)C)n1)c1ccccc1 280467445 MMYTWQDUOVAFBR-HNNXBMFYSA-N 283.375 3.762 30 20 CHED C#C[C@H](NC(=O)c1ccccc1SC(C)C)C(C)C 281948667 IBIWYAXGRKZUEP-AWEZNQCLSA-N 275.417 3.575 30 20 CHED CCCCc1nc2cc(NC(=O)[C@](C)(C#N)CC)ccc2[nH]1 285194251 SAXZXHYLSCQBIE-KRWDZBQOSA-N 298.390 3.784 30 20 CHED C[C@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 285381926 IWUIQMPQVBWMTR-JQWIXIFHSA-N 276.767 3.520 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc(-c2ccccc2C)cs1 285562178 VLODCDNKAKURNP-MRXNPFEDSA-N 299.399 3.997 30 20 CHED CCCCCCCC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 291039785 UQMCSFAVNXSAMS-AWEZNQCLSA-N 297.830 3.670 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 292200095 IJLBXBVFHPYDMF-UHFFFAOYSA-N 294.326 3.545 30 20 CHED CCC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 299470436 BSVLINXMQKURRR-OLZOCXBDSA-N 258.365 3.562 30 20 CHED CCN(Cc1ccccc1)c1ccc(Cl)c(C#N)n1 301550021 QPPZMIDDCHLRTP-UHFFFAOYSA-N 271.751 3.633 30 20 CHED C=CCOc1ccccc1CNC(=O)CCC1CCCC1 303453343 FMSFVMHVKQFARL-UHFFFAOYSA-N 287.403 3.838 30 20 CHED CCc1ccc([C@@H](CO)N[C@H](C)c2ccc(C#N)cc2)cc1 305766247 FGKXAFWLYFKGAG-AUUYWEPGSA-N 294.398 3.505 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(F)cc1C#N 308088634 NSYQZDGQLDGBKU-LLVKDONJSA-N 262.328 3.708 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1C 308092620 UPOXVQJLHSVJCG-AWEZNQCLSA-N 258.365 3.878 30 20 CHED Cc1ocnc1C/N=C(/O)[C@]1(C)CCc2ccccc2C1 329056323 XXKULVSPQAMUOE-QGZVFWFLSA-N 284.359 3.635 30 20 CHED Cc1nnc(SCC2(C#N)CC2)n1[C@@H]1CCC[C@H](C)C1 329505283 ZJXOBEGHIZINMH-WCQYABFASA-N 290.436 3.734 30 20 CHED CC1CC(/N=C(/O)C2CCC(/N=C(/O)C3CC3)CC2)C1 330003216 BOXXIHBOXHIDKA-UHFFFAOYSA-N 278.396 3.667 30 20 CHED N#CC1(c2nc([C@H]3CCCCS3)no2)CCCCC1 335861405 YCFJHSRWABGMFX-LLVKDONJSA-N 277.393 3.753 30 20 CHED C=CC1CCN(C(=O)Nc2cc3[nH]ccc3cc2C)CC1 336427600 RDPPLNLNKKAUPP-UHFFFAOYSA-N 283.375 3.906 30 20 CHED Cc1cnccc1SCc1ccc(C#N)cc1F 338624218 PRDYYTAPYVXMTE-UHFFFAOYSA-N 258.321 3.693 30 20 CHED Cc1nc2c(OCc3cccc(C#N)c3)cccc2o1 340598265 ZLMXLILFJBHBOK-UHFFFAOYSA-N 264.284 3.587 30 20 CHED CS[C@H](CNc1snc(C)c1C#N)C(C)(C)C 342839635 KNEHFHMJUSIXPM-SNVBAGLBSA-N 269.439 3.513 30 20 CHED CCO[C@@H]1C[C@@H](N(C)Cc2ccc(CC#N)cc2)C12CCC2 343565314 HGYONZQPUIGLKI-QZTJIDSGSA-N 298.430 3.532 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)NCC(C)(C)CCC#N 349426187 GLNITZZLFZSKSI-CQSZACIVSA-N 287.407 3.685 30 20 CHED N#CC[C@H](CC(=O)Nc1ccccc1F)c1ccccc1 353338391 SMYQCPFRZNGHCB-CQSZACIVSA-N 282.318 3.852 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(Cl)o1 354854810 BPJCGAFCTKGCDD-UHFFFAOYSA-N 276.723 3.815 30 20 CHED C=CCCC1(C(=O)N[C@H](C)CC(=O)c2cccs2)CC1 356522551 RXDUXUAFROUZRR-GFCCVEGCSA-N 291.416 3.572 30 20 CHED CO[C@H]1CCOc2c(NCCCC(C)(C)C#N)cccc21 357192786 UNYHFBYZGXCASG-HNNXBMFYSA-N 288.391 3.898 30 20 CHED C=CCN(Cc1cc(Br)cs1)C1CC1 357552503 MQYJZSPXSROQLW-UHFFFAOYSA-N 272.211 3.661 30 20 CHED CN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCc2ccccc21 358735602 ONMLRLVHZYFCNK-INIZCTEOSA-N 299.418 3.645 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 359248304 YSHBDDUSEVJFEV-UKRRQHHQSA-N 288.439 3.747 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC2(CCC2)c2ccccc21 360481093 CQCAFICUWLGUOA-GOSISDBHSA-N 299.414 3.684 30 20 CHED CCc1nc(C)c(NC(=O)[C@H](C)c2cccc(C#N)c2)s1 360649256 VNPFZSHXVAZDHI-SNVBAGLBSA-N 299.399 3.628 30 20 CHED C=CCCC1(C(=O)Nc2cc(C#N)ccc2OCC)CC1 361610840 OLJIOKDQMTUMOM-UHFFFAOYSA-N 284.359 3.642 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)cc1F 362299921 JEKPGYHDEZMQGU-HOCLYGCPSA-N 294.329 3.830 30 20 CHED CC(C)(CCC#N)CN1CC[C@H](Oc2ccc(F)cc2)C1 363857110 YRUGIEYBGTWPFM-INIZCTEOSA-N 290.382 3.609 30 20 CHED CC(C)(CCC#N)CNC1CC(c2cccc(F)c2)C1 371799406 OBLYETJPBCYONI-UHFFFAOYSA-N 274.383 3.991 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H](n2ncc3ccccc32)C1 374760670 MTERDCMGOLSGJV-MRXNPFEDSA-N 296.418 3.613 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(-n2ccnc2)cc1 384872190 RILPXZPZTCLLBC-AWEZNQCLSA-N 269.392 3.735 30 20 CHED CCCN(Cc1ccc(CC#N)cc1)CC(F)(F)F 399124448 RBWUVWANDXUEFP-UHFFFAOYSA-N 270.298 3.527 30 20 CHED CC(C)(C#N)CCCCN1CCN(C2CCCCC2)CC1 409446893 JJGAWBFQGMPFGC-UHFFFAOYSA-N 291.483 3.657 30 20 CHED C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@H](C)C1 409729328 JRXNSRHWGKUCRX-GHMZBOCLSA-N 297.324 3.844 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 410636495 AITZOAFHGWPVEB-DIOULYMOSA-N 290.794 3.847 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)CCCc1ccccc1 410835156 MSHVRYYGYPHXJQ-RDJZCZTQSA-N 286.419 3.796 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1cnc(C#N)c(Cl)c1 411030170 JRTSPIZCGJZDSD-SNVBAGLBSA-N 279.771 3.762 30 20 CHED C=CC[C@H](C)NC(=O)c1[nH]c2c(Cl)cccc2c1C 412128399 JBRTZXUGYBNMHY-VIFPVBQESA-N 276.767 3.824 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1F)c1ccccc1 412671786 LPWBGEDMAPZCIF-FVQBIDKESA-N 275.367 3.743 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)NCCCCC#N)C1(C)C 413250450 NWVZIYKJUJYAHV-CQSZACIVSA-N 293.455 3.927 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cnn(CC)c1 414304314 OODIRXIMOBSZJY-QAPCUYQASA-N 283.419 3.741 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 415690333 JIQKMSWYKSWBSC-WCQYABFASA-N 287.407 3.553 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C 416196462 WUMIEEKXGGIWCI-DOTOQJQBSA-N 288.435 3.540 30 20 CHED Cc1ccc2c(c1)[C@@H](NCC1(C#N)CCC1)[C@H](C)C2 418141090 KNPZZBJIUCNIIV-CJNGLKHVSA-N 254.377 3.512 30 20 CHED N#CC1(CCn2cc(Br)cn2)CCCCC1 418843207 HSXVTDVJJQBGPQ-UHFFFAOYSA-N 282.185 3.510 30 20 CHED Cc1nnc(CSCc2ccccc2C(C)(C)C#N)o1 419586312 MTRWWUXUUMGUIF-UHFFFAOYSA-N 287.388 3.613 30 20 CHED C=CCC1(C(=O)Nc2ccsc2Cl)CCOCC1 424804271 OZTBKWIJXPMVSP-UHFFFAOYSA-N 285.796 3.713 30 20 CHED Cn1cccc1[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 426369237 GORKAPZOPDREDQ-GOSISDBHSA-N 298.817 3.867 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OC)c(OC)c1Cl 426550293 ARVWYTDBSCRXRR-ZDUSSCGKSA-N 295.810 3.898 30 20 CHED C=C(C)CNC(=O)C1(c2cccc(Cl)c2)CCCC1 427942243 JOZIZCBLRWQVHT-UHFFFAOYSA-N 277.795 3.844 30 20 CHED C=C(C)CNC(=O)N[C@@H](CC)C(C)(C)c1ccccc1 430042820 REKIACOSBHCGTQ-HNNXBMFYSA-N 274.408 3.618 30 20 CHED CC(C)Cc1ccc(CCC(=O)NCC2(CC#N)CC2)cc1 431184085 SPQFDQGWNGRRNV-UHFFFAOYSA-N 298.430 3.628 30 20 CHED CCC[C@@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 435270108 UAKYACSZYPTGGT-OAHLLOKOSA-N 296.414 3.629 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)C2(c3cccc(C#N)c3)CC2)C1 435354104 KZNULVZNQRYCEV-GJZGRUSLSA-N 296.414 3.627 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CC(c2cccc(F)c2)C1 436283518 LPKVTZRLGMSADO-RYKRPPSOSA-N 289.394 3.643 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)s1 438479146 YLOBNIRRQDIQCO-NSHDSACASA-N 276.327 3.686 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 441030036 GYNSCCUAXFQRDL-MRXNPFEDSA-N 286.419 3.918 30 20 CHED Cc1cc(CN[C@H](C)CCc2ccccc2)ccc1C#N 443994458 SMTNULMFNYUKKE-MRXNPFEDSA-N 278.399 3.978 30 20 CHED CCO[C@H]1C[C@@H](N(C)CCCCC(C)(C)C#N)C12CCC2 444641226 DKDFNDZGHCRMSG-CVEARBPZSA-N 292.467 3.986 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc2[nH]ccc2cc1C 444965067 HDYGWCGZXXLIOV-NSHDSACASA-N 257.337 3.562 30 20 CHED COc1cc(C)ccc1CN(CCC#N)Cc1ccco1 449002997 OGFDMVFMGCJVFQ-UHFFFAOYSA-N 284.359 3.513 30 20 CHED C=CCCCC[C@H](C)NCCCn1nc(C)cc1C 449058330 IDBKRIDVCHKNNH-AWEZNQCLSA-N 263.429 3.615 30 20 CHED C=CCCCCCN(C)C(=O)CC1CC(F)(F)C1 449912551 FRMMNWCHFKHJFI-UHFFFAOYSA-N 259.340 3.627 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N1CCCC(C)(C)[C@H]1C#N 451202733 NYHZHEILPDKDCK-WDEREUQCSA-N 290.329 3.506 30 20 CHED C=CC(C)(C)CNC(=O)Cc1ccc(OCC(C)C)cc1 452775901 PXPQICNJIQRNAM-UHFFFAOYSA-N 289.419 3.592 30 20 CHED C=CC(C)(C)CNC(=O)CCCc1sccc1C 452777976 WRWDEDCBWHMMNR-UHFFFAOYSA-N 265.422 3.708 30 20 CHED N#Cc1cccc(CCNC2CCc3ccccc3CC2)c1 453207577 GECXJZXFISIIAV-UHFFFAOYSA-N 290.410 3.638 30 20 CHED CC1(C)C[C@H]1CNC(=O)Nc1ccc(CC#N)cc1Cl 455699699 HQINDSVTOAQAJM-NSHDSACASA-N 291.782 3.574 30 20 CHED C[C@H](NC(=O)CCc1ccc(C#N)cc1)[C@@H]1CCC[C@@H](C)C1 456993145 GMPNCTZDSTYJFK-RVKKMQEKSA-N 298.430 3.822 30 20 CHED CC(C)[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1ccccc1 457513948 IGHCKNNSTFHJHZ-OAHLLOKOSA-N 287.407 3.575 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C)c(Cl)cc1OC 459833020 NZYMKIAULLCIQT-UHFFFAOYSA-N 267.756 3.808 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 462041819 XNZXXBQSQQCNOI-ZVZYQTTQSA-N 298.430 3.993 30 20 CHED CCc1cc(O)ccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 462335328 OXACEVASZFNWHB-LBPRGKRZSA-N 294.354 3.568 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 466130187 ONPPOOADVSKCLJ-BZUAXINKSA-N 276.424 3.563 30 20 CHED CC#CCCCC(=O)Nc1cc(-c2ccccc2)ns1 466431587 QFRQYFHDTJMPKC-UHFFFAOYSA-N 284.384 3.942 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2ccc(F)cc2)CC1 467522408 MPGYRLXRYHIMFJ-UHFFFAOYSA-N 273.351 3.699 30 20 CHED N#Cc1cc(N(C#N)C/C=C\c2ccccc2)ccc1F 467767330 FEYBMLGTOYRNGB-DAXSKMNVSA-N 277.302 3.698 30 20 CHED C=CCCC1(C(=O)NCC(C)(C)c2ccccc2F)CC1 475453531 RFXGJPOUNQBKDB-UHFFFAOYSA-N 289.394 3.966 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CCCC1(C)C 484320480 GPVQLVAURMDOQX-CYBMUJFWSA-N 264.413 3.791 30 20 CHED N#Cc1cccnc1/C=C/C=C\c1ccc(F)cc1F 485986254 QSYJEVJIVXRFLK-FFYFFONTSA-N 268.266 3.958 30 20 CHED N#Cc1ccc(NCCOc2ccccc2F)c(Cl)c1 486578890 XJLJHQOPBBBKGC-UHFFFAOYSA-N 290.725 3.842 30 20 CHED N#Cc1ccc(OCc2cccc(F)c2C#N)cc1Cl 488285552 NFFNNCKABRGNKT-UHFFFAOYSA-N 286.693 3.801 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SCc1ccncc1 488746603 NOOYQFYUQXPHAV-UHFFFAOYSA-N 295.289 3.659 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccccc2F)nc1 488897254 BAAZRHBTXRYDAB-UHFFFAOYSA-N 286.306 3.918 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C(CC)CC)no1 489774771 XADNPTIJALZZFT-UHFFFAOYSA-N 278.396 3.910 30 20 CHED C=CCC(C)(C)CNC(=O)C1(Cc2ccccc2F)CC1 490103316 PIRVWIXJYWFKAU-UHFFFAOYSA-N 289.394 3.867 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccccc1N(C)C1CCCC1 491623521 IPBLVGGKXPJSFO-AWEZNQCLSA-N 299.418 3.551 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cccc(N2CCCCCC2)c1 491746024 PVCGGFXBZQUZAB-HNNXBMFYSA-N 299.418 3.552 30 20 CHED C=CCn1c(N2C[C@H](C)CC(C)(C)C2)nnc1C(C)(C)C 508839439 FNIPCLHYJQAVPA-CYBMUJFWSA-N 290.455 3.634 30 20 CHED CCOc1ccc(NC(=O)c2cccc(C#N)c2C)c(C)c1 509538874 FKAMPNZCXJMPIS-UHFFFAOYSA-N 294.354 3.826 30 20 CHED Cc1c(C#N)cccc1C(=O)NC1CC(c2ccccc2)C1 513410677 LKNFRPHWSIDTQY-UHFFFAOYSA-N 290.366 3.543 30 20 CHED CCc1nocc1CNc1ccc(CC#N)cc1Cl 514797592 ARYHBSXAYGUVOX-UHFFFAOYSA-N 275.739 3.569 30 20 CHED C=CCOc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1 519052036 FVBSWOPVCOPOBD-CQSZACIVSA-N 286.375 3.729 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@H](CCC)C(=O)O 521887091 ZBKBRDXMVZTAED-LLVKDONJSA-N 287.812 3.643 30 20 CHED CCCC[C@H](CC)CC(=O)N(CCC#N)CC1CC1 522669679 CBSHEIAAMFIHJU-AWEZNQCLSA-N 264.413 3.745 30 20 CHED C=CCCCCCN(C)C(=O)CO[C@@H]1CCC[C@H](C)C1 523510880 HDAVTJIZSHLXPT-JKSUJKDBSA-N 281.440 3.787 30 20 CHED COc1cccc2c(N3CCC(CC#N)CC3)c(C)cnc12 526053128 TZMIBGHBRNGYMJ-UHFFFAOYSA-N 295.386 3.682 30 20 CHED C=C(C)COc1cc(CNCC2CC=CC2)ccc1OC 527750776 PQXCMZQJMQWHRB-UHFFFAOYSA-N 287.403 3.706 30 20 CHED C=C(C)CN(CC)C(=O)c1cc([C@H](C)c2ccccc2)[nH]n1 527904449 XJEHAUIIPDXFMO-CQSZACIVSA-N 297.402 3.600 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc2c(cc1Cl)CCC2 530020853 GJGDIBZWQNWZIY-OAHLLOKOSA-N 276.767 3.707 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(c2ccccc2)CCC1 537233537 UHAZYNIZGBSQMQ-OAHLLOKOSA-N 271.404 3.969 30 20 CHED C=CCCOCCN[C@@H](C)c1cc(C)c(F)c(C)c1 539051800 CDUNLLPXPKDEPD-AWEZNQCLSA-N 265.372 3.686 30 20 CHED C=CCCCC(=O)N[C@H]1c2ccccc2CC[C@H]1C 539796411 TUGBAXADIPMCOB-CXAGYDPISA-N 257.377 3.783 30 20 CHED C=CCCOCCCCC(=O)NC[C@H]1CCCC[C@H]1C 540498221 SHRSLBDMCGWSKJ-HZPDHXFCSA-N 281.440 3.692 30 20 CHED C=CCC[C@H](CC)NCC1([C@@H](C)CCO)CCC1 540605103 BVFGGZXOMXIOIN-GJZGRUSLSA-N 253.430 3.510 30 20 CHED N#Cc1cc(N(C#N)Cc2nc(C3CC3)cs2)ccc1F 544076124 UYKFFGLCTVMICI-UHFFFAOYSA-N 298.346 3.519 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 547393544 RRFJFEZCFFCXBM-WFASDCNBSA-N 272.392 3.577 30 20 CHED Fc1ccc(C#CCNc2cccc3cc[nH]c23)cc1 548139671 QZHMBSLDZIGSCM-UHFFFAOYSA-N 264.303 3.771 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 552468721 XCXKOLPWHVTUGO-RDJZCZTQSA-N 296.414 3.880 30 20 CHED Cc1cc(N2CCC[C@@H]2CCc2ccccc2)cc(C#N)n1 553289674 FOTMNUNIBVPXAI-GOSISDBHSA-N 291.398 3.863 30 20 CHED Cc1ccc(C)c(-n2ncc(N[C@@H]3CC[C@H](C#N)C3)c2C)c1 555951421 NYWATACDVUTVGW-JKSUJKDBSA-N 294.402 3.902 30 20 CHED N#Cc1ccc(OCCCC2CCOCC2)c(Cl)c1 556096456 XUGROQNCFVXYHN-UHFFFAOYSA-N 279.767 3.797 30 20 CHED CN(Cc1cccc(Cl)c1)c1ncc(C#N)cc1Cl 559267675 LGOUFUJKXMRWCO-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=CCOc1ccc(CNC(C)(C)C(C)C)cc1OC 561476244 SFELFIOYMHFHKP-UHFFFAOYSA-N 277.408 3.784 30 20 CHED N#Cc1c(NC(=O)[C@@]23CCC[C@@H]2C3)sc2c1CCCC2 567606778 SAMBJSWIVSPOMP-QLJPJBMISA-N 286.400 3.627 30 20 CHED CC(C)[C@H]1N(C(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C 569136293 ZMAZNESBKXYWFE-CQSZACIVSA-N 290.794 3.718 30 20 CHED CC[C@@H](NC(=O)N1CCC(CCC#N)CC1)[C@@H]1CC1(C)C 570326873 JWWOOTSYPMRYMO-LSDHHAIUSA-N 291.439 3.536 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 570788733 KKULNLHVHHRNJO-CRAIPNDOSA-N 297.402 3.605 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)CCC1 575802846 XKYQNFNKVHFLTO-UHFFFAOYSA-N 281.359 3.762 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@H](Cc3ccccc3)C2)C1 576125562 PDAJQDQMWSSBHV-KURKYZTESA-N 268.404 3.633 30 20 CHED C=CCCCNC(=O)N[C@H]1CCc2sc(Cl)cc21 576559670 WJIQSLJONBROEP-JTQLQIEISA-N 284.812 3.654 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1ccc(C#N)cn1 577506484 XROZJLRTOQMXDP-DZGCQCFKSA-N 271.408 3.600 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(F)cc2F)no1 578098284 NUZIZYZTURCRKC-HNNXBMFYSA-N 278.302 3.792 30 20 CHED C=CCCCCNc1ccc(C(=O)N2CCCC2)cc1 581708376 GWQRBNWHMJJBQE-UHFFFAOYSA-N 272.392 3.691 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nc(-c2ccncc2)cs1 583315892 QCSUKFOWQXONAS-SCRDCRAPSA-N 298.415 3.548 30 20 CHED O=C(/C=C\c1cccs1)c1cccc(F)c1F 588386856 DMTNRBYDBFAYGZ-SREVYHEPSA-N 250.269 3.922 30 20 CHED CC(C)(CC#N)CNC(=O)N1CCC(C2CCCC2)CC1 590949122 INIHZLDIKFFCIQ-UHFFFAOYSA-N 291.439 3.538 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 591316403 AVZIYLYZGUIYKH-QGZVFWFLSA-N 295.386 3.526 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)c1ccc(Cl)cc1 593443902 KTORHOGFPOQMSU-GFCCVEGCSA-N 278.783 3.594 30 20 CHED CC[C@@H](C#N)C(=O)NCC1(c2cccs2)CCCCC1 593482676 BOAGMDAWNNIXAO-ZDUSSCGKSA-N 290.432 3.616 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@]1(C)CCCC[C@H]1C 594043761 ONCWLBHNTJXVOK-SPYBWZPUSA-N 298.430 3.822 30 20 CHED COc1cccc(C2(NCc3cccc(C#N)c3)CCC2)c1 594996523 DCMIPOLPPQCUOS-UHFFFAOYSA-N 292.382 3.736 30 20 CHED C[C@@H](CCc1ccc(F)cc1)NCCc1ccc(C#N)cc1 595055381 CCNLKNRQVJRAIN-HNNXBMFYSA-N 296.389 3.851 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](CC#N)C1 595651199 GQBUFSYKXZCGMZ-KFWWJZLASA-N 291.439 3.536 30 20 CHED Cc1ccc(C#N)nc1NC[C@@H]1CSc2ccccc21 596254825 HWLTWBUNLWHNOD-GFCCVEGCSA-N 281.384 3.563 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)CC3=CCSC3)c2c1 596554560 UQVZLQBMJRIDRJ-UHFFFAOYSA-N 295.411 3.524 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CCCC(F)(F)CC2)n1 599133171 CSTGPPHUNWIMIT-UHFFFAOYSA-N 293.361 3.876 30 20 CHED N#CCCCCCC(=O)Nc1cc(F)ccc1NC1CC1 601726874 CXCVUZGICNHNEI-UHFFFAOYSA-N 289.354 3.813 30 20 CHED C[C@H](CCC#N)CN(Cc1cccs1)C[C@H]1CCCO1 602435609 IMDVMUSOWHWXSW-HUUCEWRRSA-N 292.448 3.669 30 20 CHED C[C@@H](CCC#N)CN1CCc2c(F)cc(F)cc2[C@H]1C 602483946 KJTQUWWDPOBYEX-NWDGAFQWSA-N 278.346 3.824 30 20 CHED C[C@@H](CCC#N)CNCC1(Sc2ccccc2)CC1 602541544 WQFXFEXVVYEFLU-AWEZNQCLSA-N 274.433 3.841 30 20 CHED CC[C@@H](NC[C@@H](C)CCC#N)c1cc(F)ccc1F 602550357 AXZVIEDIMHOFJA-XHDPSFHLSA-N 266.335 3.945 30 20 CHED CCCC1(CN[C@H](C)CC2(C#N)CCOCC2)CCC1 602571321 ZUVHIBJMZNRCML-OAHLLOKOSA-N 278.440 3.645 30 20 CHED CO[C@H](CNC[C@@H](C)CCC#N)c1ccccc1Cl 602574195 SJCNHLPAWVXZHG-SWLSCSKDSA-N 280.799 3.557 30 20 CHED CCN(CCC(F)(F)F)C(=O)Nc1ccc(CC#N)cc1 609204877 TXOSVTIZOPQXBT-UHFFFAOYSA-N 299.296 3.559 30 20 CHED N#Cc1ccc(SCc2noc3c2CCCC3)cc1 609406932 DVNCXUJPYMFFJA-UHFFFAOYSA-N 270.357 3.717 30 20 CHED C=CCN(CC=C)C(=O)CSCc1c(C)cccc1C 610007519 DSXUXCSLRWMOCE-UHFFFAOYSA-N 289.444 3.737 30 20 CHED CCCC[C@@H](CC)CNC(=O)N1CCC[C@@](C)(C#N)C1 612098140 DYUNULUYXRLMHN-ZBFHGGJFSA-N 279.428 3.538 30 20 CHED CC#CCCCC(=O)Nc1nccc2ccc(C)cc12 616818235 ZTIDSADYEUFXLC-UHFFFAOYSA-N 266.344 3.675 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2csc(C)c2C)C1 617781292 JLVLBZJXFFEFOB-ZDUSSCGKSA-N 263.406 3.793 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 617789655 PNFJZBKWWAHYBR-GFCCVEGCSA-N 286.400 3.725 30 20 CHED C[C@@H](CCc1ccco1)N[C@@H]1CCc2cc(C#N)ccc21 618805895 PKCJLRZVMOAPME-SCLBCKFNSA-N 280.371 3.749 30 20 CHED N#CCC1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 619615506 LFJXSKICHOOZEL-UHFFFAOYSA-N 296.414 3.723 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1nc2ccccc2o1 620863807 CQVBJCFFTBJIOW-UHFFFAOYSA-N 286.375 3.621 30 20 CHED C=CCC1(NC[C@@H](C)c2ccc(C)cc2)CCOCC1 628338309 HGOVXJBBWWDGMS-MRXNPFEDSA-N 273.420 3.813 30 20 CHED C=CCN(C(=O)c1ccc(C)c(F)c1F)C(C)(C)C 637408046 GLSKYDVNJFQCMH-UHFFFAOYSA-N 267.319 3.700 30 20 CHED C=CC[C@H](C)NCc1cn(-c2ccccc2Cl)nc1C 655737451 BAXNCIIYMDCRHS-LBPRGKRZSA-N 289.810 3.888 30 20 CHED C=C(C)COc1cccc(NCc2c(C3CC3)cnn2C)c1 657409696 SKEACSNQOFRZML-UHFFFAOYSA-N 297.402 3.865 30 20 CHED C=CCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 661569329 LVAFLQUEUWYEBX-GVDBMIGSSA-N 284.403 3.540 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 664332816 IEMYABIQGHSUCI-GFCCVEGCSA-N 262.328 3.646 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(-c2c(F)cccc2F)c1 677436909 LPNXRNROVKGLHP-NSHDSACASA-N 287.309 3.936 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)c1ccccc1C(F)(F)F 679204628 MMRZWAUVURVRKP-LLVKDONJSA-N 285.309 3.843 30 20 CHED C=C[C@H]1CCCCN1C(=O)N=c1cc(C)[nH]c2ccccc12 685540594 GHKJDTMHVNKCRS-AWEZNQCLSA-N 295.386 3.538 30 20 CHED CCOc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 695814285 FBLRLYNHYCNAFT-CYBMUJFWSA-N 260.381 3.503 30 20 CHED Cc1cc(F)ccc1CCN[C@H](C)CC(C)(C)C#N 695836336 LVONRWOQYWUQAB-CYBMUJFWSA-N 262.372 3.595 30 20 CHED CC(C)(C)[C@H]1CCCN(c2cccc(F)c2C#N)C1 708496499 LFQDTXVCXVTGAQ-LBPRGKRZSA-N 260.356 3.960 30 20 CHED O=C1/C(=C/C2=Cc3ccccc3OC2)Oc2ccc(F)cc21 726740352 CPEWXIMRZJWLOJ-IUXPMGMMSA-N 294.281 3.761 30 20 CHED COc1ccc(O)c(/C=N\[C@H]2CCc3ccc(C)cc32)c1 730147036 JXWFTVZDMBFTNL-BEWREHSGSA-N 281.355 3.816 30 20 CHED C=C1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 731032222 FICBNJFLEBVQPC-CQSZACIVSA-N 283.375 3.758 30 20 CHED CC(=NNc1cnnc2ccccc12)c1ccccc1F 733748377 UICIAVYZJBGGRA-UHFFFAOYSA-N 280.306 3.605 30 20 CHED Cc1ccc(N=Cc2cccc(O)c2O)cc1OC(F)F 734095863 IEAFKSCBMYPDTC-UHFFFAOYSA-N 293.269 3.758 30 20 CHED C=CCCCOC(=O)c1c(C)nc(C(C)C)nc1SC 735524799 XLRGVXWFQPNDIE-UHFFFAOYSA-N 294.420 3.753 30 20 CHED C=CCCCOC(=O)Cc1ccccc1C(F)(F)F 735532262 CONIKZIWIJGWNW-UHFFFAOYSA-N 272.266 3.757 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1Cc1ccc(OCC#N)cc1 738313870 LIEVXGGHAUGZIM-YJBOKZPZSA-N 286.419 3.990 30 20 CHED CCCCCCCCOCC(=O)NC1(C)CCCC1 741558580 KLIOTLXIJYGPDZ-UHFFFAOYSA-N 269.429 3.812 30 20 CHED CC(C)(C)c1nnc(CSc2ccc(C#N)cc2F)o1 741862175 WUUCYYABUSVUBD-UHFFFAOYSA-N 291.351 3.670 30 20 CHED CCN(C(=O)/C=C/c1ccccc1)c1ccc(C#N)cc1 742222995 CZBJSXVNDDIFJQ-JLHYYAGUSA-N 276.339 3.625 30 20 CHED COCc1cccc(C=NNc2ccccc2Cl)c1 743420859 RHEHBNVBJQKVJW-UHFFFAOYSA-N 274.751 3.932 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc2c(c1)COC2 743440043 WIHAVRICYSTUNQ-UHFFFAOYSA-N 294.398 3.663 30 20 CHED CCCCCCCOC(=O)CC[C@@H]1CC[C@H](C)O1 744047018 KPSRCXHMOSGYMI-KBPBESRZSA-N 256.386 3.848 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CCC[C@@H](C)C2)c1 745005815 LDBMMCHNHNYECJ-SNVBAGLBSA-N 293.411 3.987 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc3ncccc3c2)cn1 746687384 YTRNNYUMDRGNPF-VURMDHGXSA-N 291.354 3.908 30 20 CHED CC(=NNc1cccc2ccccc12)c1cn(C)nc1C 747060596 ZNGAAPGHERGXHZ-UHFFFAOYSA-N 278.359 3.718 30 20 CHED CC1=C(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CCC1 747200106 ANGKCYUALURDNB-OAHLLOKOSA-N 276.339 3.911 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)c1)c1ncc(C(C)(C)C)o1 747672926 LAJWRGLUZLUUML-NSHDSACASA-N 298.342 3.762 30 20 CHED Cc1cc(/C=C2\Oc3ccc(F)cc3C2=O)cc(C)c1O 749747236 WBUYORASAOXTHS-CHHVJCJISA-N 284.286 3.764 30 20 CHED CN1CCc2cc(/C=C\C(=O)C3CCCCC3)ccc21 751523041 MMXAEWXWFBMGQW-NTMALXAHSA-N 269.388 3.842 30 20 CHED C=C(C)COC(=O)C[C@@H](C)c1ccc(F)cc1F 751861906 VBCBBUKYVWZVLT-SNVBAGLBSA-N 254.276 3.578 30 20 CHED CCC/C=C\C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 752037946 RPJXSDACIKJXPI-UJBIHSARSA-N 282.387 3.641 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1ccccc1C#N)O2 755598458 IVMCWPYWJCMFTK-MFOYZWKCSA-N 275.307 3.791 30 20 CHED Cc1csc(C=NNc2cccc3c2CCCC3)n1 755661971 PKJYEMWGLIUVIP-UHFFFAOYSA-N 271.389 3.776 30 20 CHED Cc1cccc(C)c1C=NN[C@H](C)c1ccccc1 755663633 BUJQZDOLYNRERD-OAHLLOKOSA-N 252.361 3.988 30 20 CHED N#Cc1cc(/C=C/C(=O)c2cccc(F)c2)ccc1F 756266745 LGPZHNAXUSPDTA-FNORWQNLSA-N 269.250 3.733 30 20 CHED C[C@H](C=NNc1nc2ccccc2n1C)c1ccc(F)cc1 756883047 LMABMTDFGODWFY-GFCCVEGCSA-N 296.349 3.914 30 20 CHED C=C[C@H](C)NC(=O)/C=C\c1cccc(OC2CCCC2)c1 757003265 AKQIOGHKRFGPRM-NYHXXUGCSA-N 285.387 3.712 30 20 CHED C=C(C)CCOC(=O)c1cncc(-c2ccc(OC)cc2)c1 757903335 PBKGIHODZGZVJX-UHFFFAOYSA-N 297.354 3.880 30 20 CHED Cc1nnc([C@@H](C)/N=C/c2c(O)ccc3ccccc23)s1 758815362 KCUHNDXUZDPDOW-IYPWXLATSA-N 297.383 3.885 30 20 CHED C=C(C)COC(=O)CCCCC(=O)c1ccc(OC)cc1 759819561 LIQARUGPOYHHLA-UHFFFAOYSA-N 290.359 3.558 30 20 CHED CCCC[C@@H](CC)CON=C1CCN(C(=O)C(C)C)CC1 760552779 QCHWPIQBWFXOLZ-OAHLLOKOSA-N 296.455 3.854 30 20 CHED CCCCCCCc1nc(COCC(F)(F)F)no1 761465471 WSLVWCDAZIWLQC-UHFFFAOYSA-N 280.290 3.661 30 20 CHED C#CCCc1noc(-c2ccc(-c3ccc(C)o3)s2)n1 762017397 CFHVLRSLOWLAPJ-UHFFFAOYSA-N 284.340 3.932 30 20 CHED C#CCN(CC)C(=O)Nc1ccccc1N(C)C1CCCC1 762225601 LHGRBMCDDVLDDX-UHFFFAOYSA-N 299.418 3.552 30 20 CHED CO[C@@H](C)C(C)=NN[C@H](C)c1ccc(C(C)C)cc1 763170006 ZRHHKUDJXMBNKA-KGLIPLIRSA-N 262.397 3.871 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(F)cc1 764432552 DIGYORRBMAEXAY-VOTSOKGWSA-N 262.305 3.792 30 20 CHED CCc1ccc(C=NNCc2cnc3ccccc3c2)o1 764777529 CXTZLWFNVSJLQL-UHFFFAOYSA-N 279.343 3.514 30 20 CHED COc1ccccc1C(C)=NNc1ncnc2ccsc12 764836408 ZTIYBJHCKQWUBK-UHFFFAOYSA-N 298.371 3.536 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1cnc2ccccc2n1 766015194 ZTLMSHHMFIZQBZ-NSHDSACASA-N 268.364 3.854 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccncc1 766018204 GJZAVRKZCNFXEH-KSSFIOAISA-N 294.398 3.985 30 20 CHED CCc1cccnc1C(=O)OCC#Cc1cccc(Cl)c1 767066222 YJUQHLFAFABZLO-UHFFFAOYSA-N 299.757 3.506 30 20 CHED CC(=NNc1cccc2cnccc12)c1occc1C 767784081 BMKWKVGIHQAMAT-UHFFFAOYSA-N 265.316 3.972 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1CCC1CCCC1 767960145 RPXOKEPDLSWQDJ-KRWDZBQOSA-N 290.451 3.934 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1c(O)cccc1Cl 768641858 BGUVDCYPSIAELY-UHFFFAOYSA-N 295.766 3.922 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 769015872 PULXNLFCWBIDFN-HZPDHXFCSA-N 263.425 3.901 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@H]1CCC[C@@H]1C 769284451 SWGISIGCCYVBNX-GXTWGEPZSA-N 287.359 3.689 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(F)c(C#N)c1)C2=O 770573893 VSFYSDBLJRKLNC-QPEQYQDCSA-N 277.298 3.828 30 20 CHED COc1cccc(OC)c1/C=C1\Cc2ccc(C)cc2C1=O 776189754 KJFTZMMZYNUKLF-SDNWHVSQSA-N 294.350 3.835 30 20 CHED N#C[C@@H](OC(=O)Cc1ccccc1Cl)C1CCCCC1 776372094 YDCZVJYPKOPFEB-OAHLLOKOSA-N 291.778 3.898 30 20 CHED C=CCN(C)C(=O)N[C@H](CCCCC)C(C)(C)C 777530274 GPMWMXMVXYDJTD-CYBMUJFWSA-N 254.418 3.809 30 20 CHED C=CC[C@@H](C(=O)OCC1(CC#N)CC1)c1ccccc1 778655373 WGXOXTVXAMLMOC-OAHLLOKOSA-N 269.344 3.583 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(CC)s1 778985382 RLECOLHGANXCMK-UHFFFAOYSA-N 289.400 3.774 30 20 CHED C#CCCCCCC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 779841141 ZUWLNPZDVJVZBJ-ZDUSSCGKSA-N 289.331 3.783 30 20 CHED CC(C)CNN=C1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 781124293 CYGQYKNCAVFUSS-QZTJIDSGSA-N 299.462 3.520 30 20 CHED Cc1cc(COc2ccc(C(C)(C)O)cc2)ccc1C#N 783043145 UTUZJJDTEKPOFB-UHFFFAOYSA-N 281.355 3.673 30 20 CHED CCC[C@@H](CCc1ccccc1)NCc1ccc(C#N)cn1 783294726 UTTJHXPNFZNKIL-SFHVURJKSA-N 293.414 3.844 30 20 CHED Cc1cccc2c(CC(=O)OCCCC(C)(C)C#N)c[nH]c12 783812155 YDADGEBUULJUSG-UHFFFAOYSA-N 298.386 3.892 30 20 CHED CCCCCC(C)(C)CNC(=O)N1CCC[C@](C)(C#N)C1 784370762 AFFXHKRCZRNSBR-QGZVFWFLSA-N 293.455 3.928 30 20 CHED CCCCc1ccc(OC(=O)CC(C)(C)C#N)cc1 784402048 FEEMDWMUDRNFPP-UHFFFAOYSA-N 259.349 3.874 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cnc3ccccn23)cs1 787479430 HAUXJCZLCZLLBH-SREVYHEPSA-N 297.383 3.810 30 20 CHED C#CCC1(C(=O)NCCc2ccccc2C)CCCCC1 788136304 MMFTVWULPUPVQZ-UHFFFAOYSA-N 283.415 3.628 30 20 CHED CCCCCCCCN[C@@H](C)c1ccnc(O)c1 788646037 AOKWRRLMIDUBKB-ZDUSSCGKSA-N 250.386 3.798 30 20 CHED COc1ccc2nc(C=NNc3ccccc3)sc2c1 788699617 ZJNHMXSYEQNKCB-UHFFFAOYSA-N 283.356 3.751 30 20 CHED CC[C@@H](C)NN=Cc1c(C)nn(Cc2ccc(C)cc2)c1C 790189872 RQHXMZIPPHCSQG-CQSZACIVSA-N 298.434 3.579 30 20 CHED CC[C@H](C)NN=Cc1c(Cl)cccc1OC(F)F 790189878 RUPAOIOLQPOOJJ-QMMMGPOBSA-N 276.714 3.663 30 20 CHED Cc1ccc(C=NNc2cccc(F)c2[N+](=O)[O-])cc1F 790310844 TWUKVLMRKHHZCK-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC)Cc1ccc(Cl)s1 791068699 AGYWCGSYXQAECJ-LLVKDONJSA-N 298.839 3.735 30 20 CHED C#CCCCCCC(=O)Nc1cc(-c2ncc[nH]2)ccc1C 794204400 AARFESRHEPQKNZ-UHFFFAOYSA-N 295.386 3.907 30 20 CHED C#CCC1(C(=O)N(C)[C@H]2CCC(C)(C)C2)CCCCC1 794277998 XPPAOILAQWXLNV-HNNXBMFYSA-N 275.436 3.997 30 20 CHED Cc1ccccc1-n1nccc1/C=C\C(=O)c1cncs1 794943271 WMVMQQJJPUJLAY-SREVYHEPSA-N 295.367 3.533 30 20 CHED C#Cc1cncc(C(=O)N[C@@H](CC)c2cccc(Cl)c2)c1 798279355 NJBYBYOFAZWLBE-INIZCTEOSA-N 298.773 3.597 30 20 CHED Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1C#N 799292527 FPJUWDXKSZGRFQ-UHFFFAOYSA-N 294.398 3.565 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1c(C)cc(C)cc1O 799866186 WZNDFDQNWVRZEV-UHFFFAOYSA-N 298.342 3.543 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cc1C#N 799897386 OXIONAAMSWNSIF-GQCTYLIASA-N 281.311 3.673 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)c1ccsc1 800790341 JBUQHHHJHAEKJU-XBLUXWHVSA-N 261.346 3.642 30 20 CHED C#Cc1cc(F)c(NCc2cn3c(C)cccc3n2)c(F)c1 802743239 AEBGHXPLKRQTSW-UHFFFAOYSA-N 297.308 3.514 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc(CC(C)C)cc1 803785544 ZYZRQKGJFXEHNQ-QGZVFWFLSA-N 273.376 3.868 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCSCCCC 804836891 YOYPEKGDKUTDNM-UHFFFAOYSA-N 289.444 3.572 30 20 CHED C=CCC[C@H](NC(=O)OC[C@@H]1CCCO1)c1ccccc1 805043179 OKXFXDXUCHOVCL-HOTGVXAUSA-N 289.375 3.599 30 20 CHED C=CCCCCCCNC(=O)N1CCCC[C@H]1C 806003769 YXGYXSMCDMMHAF-CQSZACIVSA-N 252.402 3.707 30 20 CHED CCOc1c(Cl)cccc1/C=C\C(=O)c1cc(C)on1 806555425 DCRYRNDZWRKSPL-FPLPWBNLSA-N 291.734 3.931 30 20 CHED C=CCCCCCCNC(=O)N(CC(C)C)C1CC1 807572913 TYBOXIHMAXAYQU-UHFFFAOYSA-N 266.429 3.953 30 20 CHED CC[C@H](C)CCC(=O)Oc1c(Cl)cc(C#N)cc1OC 808001103 GFQKWTKMZSMKOG-JTQLQIEISA-N 295.766 3.952 30 20 CHED C#CCCCCNC(=O)N1CCC(C)(CC(C)C)CC1 808282945 OKFWSHHPCZEJJZ-UHFFFAOYSA-N 278.440 3.648 30 20 CHED C#C[C@H](NCc1csc(-c2ccc(C)cc2)n1)C(C)C 809685253 JMXAAZJEVUEKAM-INIZCTEOSA-N 284.428 3.866 30 20 CHED C#C[C@H](CC)NCc1ccc(-c2ccccc2OC)cc1 809686566 ZBIDEJJUNVVNGK-QGZVFWFLSA-N 279.383 3.864 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NNC[C@H]2CCSC2)C1 811661218 GRJDWJXGEBINNC-RHSMWYFYSA-N 288.460 3.827 30 20 CHED FC(F)(F)C1CCC(=NOC/C=C\Cl)CC1 811671123 AELXIRZEGRHDAU-JYRBDTFESA-N 255.667 3.864 30 20 CHED C#C[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 811947289 ZPECYTUBMCORMG-GFCCVEGCSA-N 275.760 3.506 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1ccc(N)nc1 814811727 RNBREZVUWMMCJL-ZDUSSCGKSA-N 296.418 3.862 30 20 CHED Cc1ccccc1C=NNc1ccc(F)c(F)c1F 814945251 SOYSEUWGWVRDBE-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C=CCOCCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 815092899 VBNXUELPMYHPSN-AWEZNQCLSA-N 299.336 3.697 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(N2CCCCC2)c1 815099096 WBVNSQKVYOPCGP-UHFFFAOYSA-N 294.345 3.827 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccn(C(CC)CC)n1 821448172 QKCQUKQEPIVWRW-UHFFFAOYSA-N 278.396 3.890 30 20 CHED C#CCN(C(=O)Nc1cc(SC)ccc1Cl)C1CC1 824474933 WWZFSXPRGXRCSW-UHFFFAOYSA-N 294.807 3.691 30 20 CHED CCCCCCC[C@@H](C)NC1CCN([C@H]2CCOC2)CC1 827549328 HXAAEEGAWWLCFW-AEFFLSMTSA-N 296.499 3.578 30 20 CHED C=CCCCCN1CCC[C@@H]1C[C@@H](O)c1ccco1 828041025 OHDXRRDCUVPRKD-HUUCEWRRSA-N 263.381 3.524 30 20 CHED CCc1nc(CNc2ccc(C#N)cc2C(F)(F)F)co1 829183923 SHSDLPJAVKXQLM-UHFFFAOYSA-N 295.264 3.740 30 20 CHED Cc1c(COC(C)(C)C)cccc1NC(=O)C#CC(C)C 829569467 FJRBHJITRGJRLK-UHFFFAOYSA-N 287.403 3.908 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H]2NCC[C@@H]2C1 831706087 PUKRGCPNSBNBGR-SJORKVTESA-N 294.483 3.728 30 20 CHED C=CCC[C@@H](NCc1ccoc1C(=O)O)c1ccccc1 833373097 FVGNSQHCWKQNGH-OAHLLOKOSA-N 285.343 3.775 30 20 CHED CC(=NNc1ccc(C(=O)O)c(Cl)c1)c1ccc(C)o1 833386661 QITQMDBRPUSRSG-UHFFFAOYSA-N 292.722 3.776 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2cccc(O)c21 834787005 GBPFJEZJTSOPJY-IAGOWNOFSA-N 290.366 3.528 30 20 CHED CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 835349478 WGSBLFHCAFGUDD-ZIAGYGMSSA-N 295.386 3.878 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)C=C2CCC2)cc1C#N 836819991 URLPTCLBRBMHQI-UHFFFAOYSA-N 284.359 3.784 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 837593793 XXZYMXVWWUZRDN-GDBMZVCRSA-N 287.378 3.628 30 20 CHED C=CCCCOC(=O)c1c(Cl)cncc1Cl 837751299 YDFXGZZOEMXDAX-UHFFFAOYSA-N 260.120 3.511 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2cccc(Cl)c2F)C1 839064423 WOTUNBCYBZGQQN-ZYHUDNBSSA-N 295.741 3.647 30 20 CHED C=C(Cl)CN[C@H](c1ccccc1)C1(CO)CCCC1 839615132 IELAQNCFRVNIKX-OAHLLOKOSA-N 279.811 3.623 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccnn2CC(C)C)cc1 843266510 WQIMCDRITOTCPK-HJWRWDBZSA-N 268.360 3.744 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2ncsc2C(C)C)c1 847189265 LOIVLJWKTJUTFQ-UHFFFAOYSA-N 299.399 3.916 30 20 CHED C/C(=C\c1ccco1)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 847735532 PWVYLCPXRPOUND-UTSBKAFOSA-N 298.367 3.893 30 20 CHED Cn1ccc(C(=O)OCCC(C)(C)C#N)c1-c1ccccc1 849972133 VTAXCQGVDDAKGG-UHFFFAOYSA-N 296.370 3.789 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 850485277 CPYPVEUMWHZUDG-OAHLLOKOSA-N 293.414 3.518 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1c[nH]c(C(F)(F)F)c1 851204293 OELCEPWGXCYVCG-MRVPVSSYSA-N 288.269 3.519 30 20 CHED Cc1cc(C(=O)O[C@@H](C)CC(C)(C)C#N)ccc1F 851211059 ZAZPOGBCQSXSKE-NSHDSACASA-N 263.312 3.619 30 20 CHED C#C[C@](C)(CC)N[C@@H](C)c1ncc(-c2ccccc2)o1 852101690 GSZSSURZWINBJY-SUMWQHHRSA-N 268.360 3.794 30 20 CHED CO[C@@H](C=NNc1ccc(C(F)(F)F)cc1)C1CC1 853323115 QBGRQFYXZOMLFL-LBPRGKRZSA-N 272.270 3.528 30 20 CHED CCCc1ccc(C=NN[C@@H](C)c2ccncc2)s1 857211446 UMSDTTNMIMMKQI-LBPRGKRZSA-N 273.405 3.780 30 20 CHED CCCCCCCNC(=O)N(C)Cc1cnc(C)s1 858110699 YMVDIVWEDCNMRB-UHFFFAOYSA-N 283.441 3.563 30 20 CHED N#CCCN(CC1CC1)C(=O)OCc1cccc(Cl)c1 858944431 LUGKASIIOQAWSG-UHFFFAOYSA-N 292.766 3.602 30 20 CHED C#CCCOC(=O)N(c1cnc2ccccc2c1)C(C)C 859138359 IQZSAHIOTTYHKK-UHFFFAOYSA-N 282.343 3.610 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C(C)C 859189577 FTNVDELSYSNYJQ-JKSUJKDBSA-N 257.377 3.522 30 20 CHED C=C[C@H](OC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C)c1ccccc1 860883485 TZQXJKJUEOYVNZ-IICXDKKESA-N 274.360 3.516 30 20 CHED CCC(=NNc1ccc(C)nn1)c1cc(C)ccc1C 863091062 LXPRWQDCIDWQNZ-UHFFFAOYSA-N 268.364 3.628 30 20 CHED CC[C@@H](C#N)C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 863254429 GVRHKWTUDZRKCS-DZGCQCFKSA-N 284.403 3.788 30 20 CHED CC(C)N1CCC(CCN[C@@H](C)c2ccc(C#N)cc2)CC1 866467421 HNUBGFRSTQJZEX-INIZCTEOSA-N 299.462 3.719 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)/C=C\c1ccccc1C#N 875108313 NMICJAZFWQWWTN-KHPPLWFESA-N 284.403 3.902 30 20 CHED C#CCCCCCCNc1ccccc1C[S@@](C)=O 877362939 LQNXQZJCTZDXER-LJQANCHMSA-N 277.433 3.561 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C)n([C@H](C)CC)n1 879388260 OHYYWJTVOUCUEE-LLVKDONJSA-N 263.385 3.703 30 20 CHED C=CC(C)(C)CC(=O)Nc1ncc(C)c(-c2ccccc2)n1 890309760 YQCDCTXSKQUWED-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C=CCC[C@H](C)Nc1cccc([S@](C)(=O)=NC)c1 895736641 QZTSJITZNDASSH-SGTLLEGYSA-N 266.410 3.540 30 20 CHED C=C1CCC(C(=O)Nc2ccc(O)cc2CC)CC1 897549530 OECGXNMKIGLOJL-UHFFFAOYSA-N 259.349 3.640 30 20 CHED CC(C)/C=C\c1cn(CCCCC2(C#N)CCC2)nn1 900617084 NYIGELXUGCAAPA-SREVYHEPSA-N 272.396 3.811 30 20 CHED CC[C@H](N[C@H](C)CCSC)c1cccc(C#N)c1 902808945 ONDFGHWNEPDPEH-DOMZBBRYSA-N 262.422 3.741 30 20 CHED C=C[C@@H](CCC(=O)O)NC/C=C/c1cc(C)c(C)cc1C 904014049 NAKWRDIWLXLXBW-LXXRFIIISA-N 287.403 3.634 30 20 CHED O=C(CCCc1ccsc1)N(O)Cc1ccc(F)cc1 904173712 PKFSJXQFDWSMMB-UHFFFAOYSA-N 293.363 3.628 30 20 CHED C=C1CCC(C(=O)N=[S@](C)(=O)c2cccc(F)c2)CC1 906355056 QMMCQJHSLZXDRR-HXUWFJFHSA-N 295.379 3.555 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCc1ccc(F)cc1 912774641 QWTTWTVLDUBCKZ-NDENLUEZSA-N 294.329 3.741 30 20 CHED Clc1cncc(NN=C2CC[C@H]3CCCC[C@H]3C2)n1 914556971 JUJCQAFSAYEUGU-MNOVXSKESA-N 278.787 3.888 30 20 CHED COc1ccccc1CC(C)=NNc1ccccc1[N+](=O)[O-] 916250129 LNUOBFHGAAAWCJ-UHFFFAOYSA-N 299.330 3.634 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cn(C)nc1C 917550715 DRMCIALFICGABQ-ZDUSSCGKSA-N 298.434 3.927 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ccncc1 917872352 IQWGOXDJVLLXSS-AWEZNQCLSA-N 262.397 3.808 30 20 CHED C=CCN(C(=O)N[C@@H](C)CCCC(C)C)C(C)C 918056355 VEUJCLPEXRDBKV-AWEZNQCLSA-N 254.418 3.807 30 20 CHED CC(C)c1ccc(C/N=C\c2ccc(O)c(O)c2O)cc1 920177131 CTKRGZKZDNAWHG-ZDLGFXPLSA-N 285.343 3.546 30 20 CHED C=C(C)CNc1ccc(C)cc1OCC(F)(F)F 920402268 DOXGXXCJTKWZDP-UHFFFAOYSA-N 259.271 3.924 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)COc2c(F)cccc21 921266667 QJMJODNFJMSOEN-POHAHGRESA-N 290.240 3.763 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(CC(C)C)CC(F)(F)F 930785699 AJVJGDQMUXQKTG-UHFFFAOYSA-N 298.308 3.527 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccn(C2CCCCC2)n1 1116785380 WDRBEHSXVGSMTG-MRXNPFEDSA-N 275.396 3.929 30 20 CHED C=C[C@@H](C(=O)NC1(C(F)F)CCCC1)c1ccccc1 1123879978 LLEXSNVPJWCVCN-CYBMUJFWSA-N 279.330 3.650 30 20 CHED C[C@@H](C(=O)Nc1ccccc1C#N)c1ccc(F)cc1F 1252105385 PAJAVHAEAJFKSY-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C=C(CC)COC(=O)[C@@H](C)c1ccc(F)c(F)c1 1254121580 FHYDMJLLYYVQTI-JTQLQIEISA-N 254.276 3.578 30 20 CHED CC(CCCCO)=NNc1ccc(C)c(Cl)c1 1319649688 ORCPYOFXZMVFPD-UHFFFAOYSA-N 254.761 3.599 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1320647780 XDTFTNFBSKZADS-LSDHHAIUSA-N 264.413 3.564 30 20 CHED CC(=NNc1ccn(C)n1)c1ccc2c3c(cccc13)CC2 1320687793 VIHDTUGQYSKSKU-UHFFFAOYSA-N 290.370 3.508 30 20 CHED CCCC[C@@H](C)[C@@H](C)NCc1cccc(OCC#N)c1 1323664932 QFPLEHBKXXRRSW-HUUCEWRRSA-N 274.408 3.893 30 20 CHED C=CCCO[C@@H](C)c1nnc(-c2ccccc2F)o1 1328119118 HQTAEVHXNRDBPB-JTQLQIEISA-N 262.284 3.529 30 20 CHED CC(C)CNN=CCCc1c(F)cccc1Cl 1341643909 HMDVBDYJEFFFHY-UHFFFAOYSA-N 256.752 3.643 30 20 CHED C[C@H](OC1CCCCC1)C(=O)O[C@H](C#N)C1CCCCC1 1343967548 NDJHBVMDMZMOQO-XJKSGUPXSA-N 293.407 3.740 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@](O)(C2CC2)C1 1344034154 DSWMSGCOPMFKGQ-SFHVURJKSA-N 295.467 3.891 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(OC)cc1F 1350144656 QCWBYTOHCSVQMC-GFCCVEGCSA-N 292.354 3.797 30 20 CHED C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccoc1 1350374629 IXVKKBPZIOEJHY-GFCCVEGCSA-N 261.321 3.748 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1-c1nnc(C)o1 1353385972 DGUNUNLHSDLGBH-UHFFFAOYSA-N 285.347 3.586 30 20 CHED C=C(C)CCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 1353406758 RQKZSPXJMPBVFT-UHFFFAOYSA-N 296.754 3.563 30 20 CHED COc1ccc(C#N)cc1CN1CC(C)(C)CC(C)(C)C1 1459904284 VPOPBIHZGDPIQQ-UHFFFAOYSA-N 286.419 3.825 30 20 CHED Cc1ccoc1CC(=O)Nc1cc2ccccc2cc1C#N 1460848831 HNASXPIHLZMENE-UHFFFAOYSA-N 290.322 3.794 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)ccc1Cl 1472676317 FACQZEHZDPVYHC-MPLKPFFPSA-N 287.794 3.843 30 20 CHED C=C(CC)C(=O)Nc1ccccc1S[C@H](C)CC#N 1520976227 RMIKZVUZWHSFQJ-GFCCVEGCSA-N 274.389 3.986 30 20 CHED CC[C@H](CC(=O)Nc1cc(C#N)cc(C)n1)c1ccccc1 1523625729 ZOJNXLZLHIPDTB-OAHLLOKOSA-N 293.370 3.784 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1cccc(C#N)c1 1527767729 KCUHQDVBFXFENC-TYNCELHUSA-N 257.333 3.540 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1nc2ncccc2s1 1559451669 PEMKAKZQTCUVLA-LBPRGKRZSA-N 297.408 3.918 30 20 CHED C#CCCCCCCNc1cc(C(=O)O)cc2cccnc12 1588441576 IQNQMZQMPBTXIF-UHFFFAOYSA-N 296.370 3.929 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 1593808179 PQTWCSIQCBMUSA-WCQYABFASA-N 296.846 3.779 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2cc3ccccc3o2)c1 1610866268 OCARPXGDFRAVFR-WAYWQWQTSA-N 282.251 3.620 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C 1617387664 JBNNQKAHPJJOGZ-LBPRGKRZSA-N 297.333 3.684 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)Nc2sccc2C#N)C1 1626074796 ZCVQPZIGZONROM-WDEREUQCSA-N 277.393 3.568 30 20 CHED CC(C)C(NC(=O)[C@@H](C#N)CCc1ccccc1)C(C)C 1631383337 OYYILQVVLXDAJB-MRXNPFEDSA-N 286.419 3.556 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1ccc2nonc2c1 1641217605 JOPUWOYAKWIMHD-UHFFFAOYSA-N 299.717 3.635 30 20 CHED COc1ccc(C#N)cc1CN1CCCc2c(C)cccc21 1641761163 UUZUXJKPXSDNHX-UHFFFAOYSA-N 292.382 3.828 30 20 CHED COc1ccc2c(c1)[C@@H](NCc1cc(C#N)cs1)CCC2 1650805446 JTNSIJFHOVXHSV-KRWDZBQOSA-N 298.411 3.796 30 20 CHED CC1(C)C[C@]1(C)NCc1cc(C#N)ccc1Br 1651358826 UVWCFCQLXSOSJQ-AWEZNQCLSA-N 293.208 3.599 30 20 CHED C[C@H]1CCN1C(=O)c1ccccc1Oc1ccccc1C#N 1651431465 YAWXXTIHTCAZNP-ZDUSSCGKSA-N 292.338 3.585 30 20 CHED Cc1nnc([C@H](C)Sc2ccc(C#N)cc2)s1 1652613691 ZMNIPNMGWIOSOZ-QMMMGPOBSA-N 261.375 3.572 30 20 CHED CCOc1ccc(CN(CCC#N)CC(C)C)c(C)c1 1658658749 YLMBLNFGADRMRX-UHFFFAOYSA-N 274.408 3.765 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nc(C)ccc1C(=O)O 1776139657 UNTAEVYMJLYYHF-UHFFFAOYSA-N 296.370 3.671 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CC(CCC)CCC)C1 1776159413 QPSZGAZNGPQBFU-INIZCTEOSA-N 267.413 3.556 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C(=O)O)c1ccsc1 1776180851 XOOZMVYSXDHXRR-HNNXBMFYSA-N 287.384 3.562 30 20 CHED Cc1cc(C)c(CC(=O)Nc2sccc2C#N)c(C)c1 8736169 TZZUFJNNZKLYDL-UHFFFAOYSA-N 284.384 3.726 30 20 CHED CCCOc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 51786417 UQDQGFKULCVNTR-UHFFFAOYSA-N 286.375 3.888 30 20 CHED Cc1ccc(N/C(N)=N/Cc2ccc(C)cc2C)cc1 104165079 HMAAWIMAZJMQFB-UHFFFAOYSA-N 267.376 3.539 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)NCc1ccc(C#N)cc1)C1CC1 175265531 RVFVSYCSYZLONT-KBPBESRZSA-N 299.418 3.667 30 20 CHED COc1ccc(/C=C/C(=O)c2ccco2)c(OC(F)F)c1 118980285 KXEUKFCEILJGKJ-FNORWQNLSA-N 294.253 3.786 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 119394784 NIFCNJNWGHVUSQ-MRXNPFEDSA-N 290.382 3.884 30 20 CHED C=CCN(C(=O)c1ccc(F)c(C)c1)c1ccccc1 103364505 QRJWXXFQIYEPOO-UHFFFAOYSA-N 269.319 3.967 30 20 CHED Cc1ccc(N/C(N)=N\Cc2ccc(OC(C)C)cc2)cc1 104161991 VREAZPZCHUCRTP-UHFFFAOYSA-N 297.402 3.709 30 20 CHED CCCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 175088983 WKVUUOCLCISZJM-UHFFFAOYSA-N 296.395 3.849 30 20 CHED CCO[C@H]1C[C@@H](N(C)c2ccc(C#N)cn2)C12CCCCC2 301492970 PWVZJBXBEYGKDP-CVEARBPZSA-N 299.418 3.517 30 20 CHED CSc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 116800445 CQXCMHZBJHDKKN-WBMJQRKESA-N 288.416 3.611 30 20 CHED COc1cc(/C=C/C(=O)c2occc2C)c2c(c1)C[C@H](C)O2 119046718 ADPUWZKTHXUILT-ITKZLYELSA-N 298.338 3.816 30 20 CHED C=CCCC(=O)N(C)[C@H]1C[C@H](OCC)C12CCCCC2 303948849 SPUWHYSRBKOQHZ-GJZGRUSLSA-N 279.424 3.539 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H](Cc2ccccc2)C1 301422873 OCLYNZCMRRVTMG-OAHLLOKOSA-N 280.346 3.766 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2cccc(C#N)n2)C1 301332586 AWWUISKZYAUVDP-CABCVRRESA-N 277.371 3.644 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1cc(C)cc(C)c1 119818678 CNICYESSOSRPES-OAHLLOKOSA-N 257.377 3.674 30 20 CHED N#CCCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 171416808 ZLVRLKVNCRCZNE-UHFFFAOYSA-N 299.330 3.638 30 20 CHED CCCCCCCCC(=O)N1CCC(COC)CC1 112313801 GRQKTWBTNRHXBD-UHFFFAOYSA-N 269.429 3.622 30 20 CHED CC(C)N(C(=O)c1cccc(CC#N)c1)C1CCCC1 171441466 JNSPXLVMRSLOFX-UHFFFAOYSA-N 270.376 3.546 30 20 CHED N#Cc1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1 22796820 QMSKWEWQPNRWHY-UHFFFAOYSA-N 291.266 3.807 30 20 CHED CCCCOc1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1 120191415 FTXSDDZBOGGFNF-ZDUSSCGKSA-N 289.379 3.631 30 20 CHED CC(C)c1cccc(C(=O)Nc2ccc(C#N)c(C#N)c2)c1 1435270068 IWIXBBUXDOWWIC-UHFFFAOYSA-N 289.338 3.806 30 20 CHED CCc1nn(C)cc1/C=C1\C[C@H](C)c2ccccc2C1=O 179742908 HCPUFIXVSIMSAW-CVCOIXHCSA-N 280.371 3.756 30 20 CHED CC(C)(CCC#N)CNCCOc1ccc(Cl)cc1 174244529 KQBCJWQIYWUJFD-UHFFFAOYSA-N 280.799 3.638 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1ccccc1O)c1ccccc1 129606400 PXNJRMCFELCJHB-OAHLLOKOSA-N 295.382 3.711 30 20 CHED Oc1ccccc1/C=N/CCSc1ccccc1 38189211 LBIAHMWQJBJTSG-FOWTUZBSSA-N 257.358 3.603 30 20 CHED Cc1cccc(C2(CNc3nccnc3C#N)CCCC2)c1 301149030 LRZDCECCAIZLQR-UHFFFAOYSA-N 292.386 3.581 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccc(C#N)cc1[N+](=O)[O-] 301369012 ROWYWZBTWCKBOZ-BNOWGMLFSA-N 285.347 3.624 30 20 CHED N#Cc1cccc(N[C@H](c2ccccc2)c2ccccn2)n1 301279717 NNSSHEUQQQETDD-GOSISDBHSA-N 286.338 3.550 30 20 CHED C=CCOCCCC(=O)Nc1c(C)cccc1SC 184625113 MQWYKZLAFDWHLL-UHFFFAOYSA-N 279.405 3.638 30 20 CHED CC[C@@H](CC#N)NCc1ncc(-c2ccccc2)s1 184094123 WDUOSNZBGCZEDD-ZDUSSCGKSA-N 271.389 3.592 30 20 CHED CC/C=C/CCn1cc(C#N)c(=O)c2cc(Cl)ccc21 186119517 UDVABAPMAGCJQQ-ONEGZZNKSA-N 286.762 3.883 30 20 CHED Cc1cc(C#N)ccc1CN(C1CC1)[C@@H](C)C1CC1 186169636 DDHTZDRRSPBDTQ-ZDUSSCGKSA-N 254.377 3.630 30 20 CHED C=CC[C@@H](C(=O)Nc1cnc(C2CC2)nc1)c1ccccc1 187581374 IBMRDQFYJBKQQF-MRXNPFEDSA-N 293.370 3.652 30 20 CHED COc1cc(N[C@@H](C)c2cccc(C#N)c2)cc(OC)c1 37199186 QDGBYIXEFPHKEY-LBPRGKRZSA-N 282.343 3.749 30 20 CHED COc1ccc([C@H](C)N(C)Cc2ccc(C#N)cc2)cc1 73986183 VQIZIECFJIGMQM-AWEZNQCLSA-N 280.371 3.760 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OCC)c(OC)c1 121329932 FKEKPSRTZDMXEJ-UHFFFAOYSA-N 289.375 3.801 30 20 CHED C=C(C)CSc1nnc(COc2cc(C)ccc2C)o1 72806240 ZVCCXSINIIOABE-UHFFFAOYSA-N 290.388 3.934 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@@H](C)c1ccccc1C 410828623 OFUHCHZQWGNPQA-CABCVRRESA-N 272.392 3.639 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1C[C@H]2CCC[C@@H](C2)C1 314207348 PNRIEQCECSGBJE-QWRGUYRKSA-N 295.308 3.598 30 20 CHED CC(C)(C#N)CCN1CCS[C@@H](c2ccccc2)C1 363480878 OXHYJNMCHCUSPP-OAHLLOKOSA-N 274.433 3.716 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@H]1CCC[C@@H]1C 185919071 SGMMQODHSGLRPU-GXTWGEPZSA-N 286.375 3.722 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(F)cc1F 181041510 FPOUUYGOEVEMEP-JTQLQIEISA-N 268.307 3.831 30 20 CHED CCOC1CC2(CCN(CCC3(C#N)CCCCC3)C2)C1 411725486 FYVMALVMGOSDPF-UHFFFAOYSA-N 290.451 3.742 30 20 CHED Cc1cc(F)cc2c1N(CCCSCC#N)CCC2 72519714 VDKACGKLIOETOJ-UHFFFAOYSA-N 278.396 3.534 30 20 CHED CC(C)[C@H](C(=O)NCC#Cc1ccccc1)c1ccccc1 79400853 WWRDCJDXSRKVRE-IBGZPJMESA-N 291.394 3.594 30 20 CHED C=CCSCCN[C@@H](C)c1cccc(F)c1F 183290625 OKPYOSYMDUJZOF-JTQLQIEISA-N 257.349 3.535 30 20 CHED CCc1ccc(CNc2ccccc2O[C@H](C)C#N)o1 181125564 GKZKLYMOPZUNSW-GFCCVEGCSA-N 270.332 3.745 30 20 CHED C=C(C)CCc1noc(-c2ccc(SCC)nc2)n1 508610672 YNYLIOGHWTZOKK-UHFFFAOYSA-N 275.377 3.752 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CCC(=O)C[C@H]1C 127487226 CBSNZXVCWVJXMT-UKRRQHHQSA-N 268.397 3.895 30 20 CHED N#Cc1ccc(/C=C2\CCOc3cc(F)ccc3C2=O)cc1 180458432 DRHFHSWVVHPOJX-NTEUORMPSA-N 293.297 3.746 30 20 CHED C[C@@H](NCC(C)(C)OCC1CC1)c1ccc(C#N)c(F)c1 414279205 ZOFTUERSEPZPKB-GFCCVEGCSA-N 290.382 3.553 30 20 CHED CCC(CC)(CC)NCc1ccc(C#N)cc1OC 501237371 VWSGEWXBHKRLHB-UHFFFAOYSA-N 260.381 3.625 30 20 CHED CCCC[C@@H](C)C(=O)N1CCCc2cc(C#N)ccc21 411004731 XGNIBIKUDNZWQI-CYBMUJFWSA-N 270.376 3.664 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)c2ccccc2F)CC1 180490227 SBFAZDCURVXYPQ-SFHVURJKSA-N 290.426 3.907 30 20 CHED CCS[C@H]1CCCC[C@@H]1Nc1ncc(C#N)cc1F 413174451 IIOCERABXNMEDM-STQMWFEESA-N 279.384 3.569 30 20 CHED N#CCC[C@@H](Nc1cc(NC2CC2)ncn1)c1ccccc1 413197132 FLWNLYXBFKGCCA-OAHLLOKOSA-N 293.374 3.508 30 20 CHED Cc1cc(C(=O)N(CCC#N)CC(C)C)ccc1Cl 135023973 MQKUPCXILLDMSR-UHFFFAOYSA-N 278.783 3.660 30 20 CHED N#CC1(CCOc2ccc([N+](=O)[O-])cc2F)CCCCC1 418876503 MILKYHWUTTWCKK-UHFFFAOYSA-N 292.310 3.977 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1 182796376 OCVJMEXUSRSMLJ-LBPRGKRZSA-N 289.379 3.511 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(Cl)cc1OCC 182518116 SLYZYJKOFLMEOL-UHFFFAOYSA-N 279.767 3.553 30 20 CHED Cc1ccc2oc(C(=O)O[C@@H](C)C(C)(C)C#N)cc2c1 130802663 GXMDAHNKQAGUBP-NSHDSACASA-N 271.316 3.836 30 20 CHED N#Cc1ccc(CNCCSc2ccccc2)s1 135671905 GFLRVNKRZZMILI-UHFFFAOYSA-N 274.414 3.502 30 20 CHED C[C@@H](/N=C(/O)[C@@H]1C[C@]12CCOC2)c1cc2ccccc2o1 329870178 ZXTDKHYRIOTYGW-ZUCKAHLUSA-N 285.343 3.877 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cccnc1 414302084 MMOVEQAJWZIDNI-YJBOKZPZSA-N 266.388 3.920 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 135713372 WZOJDHMMMFCFLF-OLZOCXBDSA-N 260.381 3.650 30 20 CHED C=C(C)CCc1noc([C@H]2SCCc3ccccc32)n1 508644815 YRKDBOJKSLEJBM-HNNXBMFYSA-N 286.400 3.957 30 20 CHED CN(Cc1ccc(F)c(F)c1)Cc1cc(C#N)cs1 130472549 TYLABUGQOJHULU-UHFFFAOYSA-N 278.327 3.530 30 20 CHED Cc1nc(SCCCSCC#N)c2ccccc2n1 80708616 XELFYOCOUISPAQ-UHFFFAOYSA-N 289.429 3.677 30 20 CHED Cc1cc(/C(O)=N/[C@@H](C)C2CCCC2)c2n[nH]cc2c1 328962987 QWBJCKIKJQKFDW-NSHDSACASA-N 271.364 3.755 30 20 CHED C=CCOc1cccc(NC(=O)NCC2CCCC2)c1 49069775 QUGOTVKSAKKJLK-UHFFFAOYSA-N 274.364 3.563 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC2CC2)cc1 132814288 UJNWATCFMGFMLZ-LLVKDONJSA-N 251.757 3.631 30 20 CHED C=CCC[C@@H](NCCSC(F)(F)F)C1CC1 178678154 SWVDPWYOVRSCGV-SNVBAGLBSA-N 253.333 3.574 30 20 CHED C=CCOc1ccc(CNCCCc2cnccc2C)cc1 519845996 BAEDKMBLJUPITI-UHFFFAOYSA-N 296.414 3.677 30 20 CHED CCCCCCCC[S@@](=O)[C@@H](C)c1cnccn1 190851968 IPLYHSIGAXNIRB-SCLBCKFNSA-N 268.426 3.647 30 20 CHED C[C@@H]1C[C@@H](/C(O)=N/Cc2cccc3cccnc23)CCC1=O 329006679 XWJALTAIZKGLGF-OCCSQVGLSA-N 296.370 3.697 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](CC)CCC 195725839 BZIUPFFQENRSDO-MRXNPFEDSA-N 290.382 3.549 30 20 CHED N#Cc1ccc(NC(=O)c2sccc2Cl)cc1 82338709 GPYJJTRAPACYIC-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=CCC(C)(C)CNCc1c(C)nn(CCC)c1C 339416758 LCVCONKAKAACFA-UHFFFAOYSA-N 263.429 3.602 30 20 CHED CC(C)(C#N)c1nc(C(C)(C)C2=CCCCC2)no1 333228973 UFFMRYQQVXITHV-UHFFFAOYSA-N 259.353 3.649 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N(CCC#N)Cc2ccco2)C1 330520823 IPRLTFHPMHDFDN-CABCVRRESA-N 288.391 3.738 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(CN(C)C)ccc1C 424700908 HZQIVOQWVLCSOQ-UHFFFAOYSA-N 274.408 3.597 30 20 CHED CC(C)c1[nH]ccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425115481 TZSGYWKJRBYYQM-CYBMUJFWSA-N 295.386 3.843 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cc1 194821513 CZGGWZYRDAEPOL-UHFFFAOYSA-N 292.338 3.985 30 20 CHED Cc1cccnc1N/C(O)=N/[C@@H]1C[C@H]1C1CCCCC1 330328223 LMAKMUSFPSNNQU-UONOGXRCSA-N 273.380 3.685 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccccc1Cl 336384630 RGLZOTXQLPGGKQ-UHFFFAOYSA-N 285.734 3.506 30 20 CHED CC1(/N=C(/O)c2cccc(SCC#N)c2)CCCC1 331201241 WRVQSFFGZWGGIP-UHFFFAOYSA-N 274.389 3.940 30 20 CHED OC(=Nc1cc(C2CCCCC2)[nH]n1)c1ccncc1F 330228931 PWOQOLLOWYGCQJ-UHFFFAOYSA-N 288.326 3.628 30 20 CHED C=CCOc1ccccc1CNc1ccc(F)cc1C#N 97635602 NXNWARZYCZSEJV-UHFFFAOYSA-N 282.318 3.874 30 20 CHED CCCc1nc(C)c(C(O)=Nc2cnc(C)s2)s1 330405294 NCVFSFBXQTWRNT-UHFFFAOYSA-N 281.406 3.805 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1Cl)C(C)(C)C 510302618 GBENSFFFSLYMOD-ZDUSSCGKSA-N 278.783 3.766 30 20 CHED CC[C@H](/N=C(/O)c1cc(C#N)oc1C)c1c(C)noc1C 331243196 YSVRYTDMCRMTMT-ZDUSSCGKSA-N 287.319 3.520 30 20 CHED C=CCC[C@H](NCCc1nnc(-c2ccccc2)o1)C1CC1 90658987 MSVBFLVQYPSTNI-INIZCTEOSA-N 297.402 3.614 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CCC)Cc1ccccc1 436314885 NTLPHLUMNWPKIS-FHWLQOOXSA-N 287.447 3.969 30 20 CHED COc1ccc(C#N)cc1CSC[C@@H](C)C(F)(F)F 439023366 QAAZCDCOTQWIBK-SECBINFHSA-N 289.322 3.998 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(Br)cc1 500102378 CPRYCGZSGGGKEW-LLVKDONJSA-N 297.196 3.925 30 20 CHED CCCC1CCC(NC(=O)c2cc(C#N)cs2)CC1 437678973 PDJKLKUJWJVHBI-UHFFFAOYSA-N 276.405 3.708 30 20 CHED OC(=Nc1nc(C(F)(F)F)cs1)[C@H]1CCCOCC1 330234125 GGUVNEULULJZFY-ZETCQYMHSA-N 294.298 3.567 30 20 CHED CC1(C)CCCN(C(=O)Nc2cccc(CC#N)c2)CC1 334982915 VXBYJERLVOXJDR-UHFFFAOYSA-N 285.391 3.797 30 20 CHED Cc1ccc(OC(F)F)c([C@H](C)NCC2(CC#N)CC2)c1 430757571 WNJFZZKDFZGUEW-LBPRGKRZSA-N 294.345 3.941 30 20 CHED C=CC[C@H](C)[C@H](C)NC1CCC(OC(C)C)CC1 90771937 WPEXZQLOIZFZMU-FXQLRMTLSA-N 253.430 3.913 30 20 CHED C=CCSCCNCc1cc(Br)cs1 163894972 KGPCXHJJTUWVMD-UHFFFAOYSA-N 292.267 3.519 30 20 CHED N#CCc1ccc(C[S@](=O)C/C=C/c2ccccc2)cc1 342262600 ZDSMMFDXSRBTQV-HXRGIAOBSA-N 295.407 3.715 30 20 CHED C=CCC(CC=C)C(=O)NCc1nc(C(C)C)c(C)s1 343443557 LEGMLPXZDSGHTK-UHFFFAOYSA-N 292.448 3.960 30 20 CHED CC[C@H](NC(=O)CC(C)(C)C#N)c1ccc(C)cc1 349431319 LGLXLNOJWASGKV-AWEZNQCLSA-N 258.365 3.502 30 20 CHED CC(C)n1cc([C@H](C)Nc2ccc(F)cc2C#N)cn1 524686545 RMJINSLORCFMCL-NSHDSACASA-N 272.327 3.648 30 20 CHED Cc1ccnc(N[C@@H]2C[C@@H]2c2c(F)cccc2F)c1C#N 343448521 ZVAJCXDXFUVIQJ-IINYFYTJSA-N 285.297 3.508 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CCCCC1(C)C 437476891 PECLZSXGLRPHLO-VYDXJSESSA-N 293.451 3.690 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 246664098 HJQSGZQVYHVZPP-FRRDWIJNSA-N 297.185 3.515 30 20 CHED C=CCN(C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1)C1CC1 347908694 HJAHISSTCNTOHZ-IMJJTQAJSA-N 279.424 3.537 30 20 CHED C[C@@H]1CCN(Cc2ccccc2C#N)[C@@H]2CCCC[C@H]12 603847443 UZTPQHRANPIHBM-ZTFGCOKTSA-N 268.404 3.959 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 609735611 DQQLUGIPVCRJFB-WDYCEAGBSA-N 298.430 3.844 30 20 CHED C[C@@H](C#N)CNCc1ccccc1OCc1ccccc1 183826257 SGYKJCVGAMYASG-HNNXBMFYSA-N 280.371 3.515 30 20 CHED Cc1ccc(C=NOCc2ccn(-c3ccccc3)n2)cc1 255103034 OHEQBUFUDDBDIK-UHFFFAOYSA-N 291.354 3.731 30 20 CHED CCOC(=O)c1cccc(SCCC(C)(C)C#N)c1 526020213 LGIVFEHNWRUVGN-UHFFFAOYSA-N 277.389 3.895 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccccc1C#N 522468424 CKQKQAYNAVXWNU-HNAYVOBHSA-N 276.383 3.936 30 20 CHED Clc1cccc(C=NOCc2ccon2)c1Cl 255301093 CJVFATZSSNNAIL-UHFFFAOYSA-N 271.103 3.532 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](c2ccccc2C)C1 528340062 PTALCCXJUSNOBX-HNNXBMFYSA-N 284.403 3.641 30 20 CHED CCC(C#N)(CC)c1nc(-c2cnc3ccccc3c2)no1 528102471 VGHGZEJTIIQQOR-UHFFFAOYSA-N 292.342 3.866 30 20 CHED C=CCN(CCC#N)Cc1ccccc1OC1CCCC1 430102792 YKHVXTBAAQJVQK-UHFFFAOYSA-N 284.403 3.910 30 20 CHED N#CC1(CN2CC=C(c3ccc(Cl)cc3)CC2)CC1 347491587 VUJWYZRPLNMAQT-UHFFFAOYSA-N 272.779 3.733 30 20 CHED C[C@@H](CCC#N)CN[C@@H](Cc1ccccc1)C1CC1 602555410 HLVMOGNURYIGPQ-YOEHRIQHSA-N 256.393 3.537 30 20 CHED Cc1ccc([C@H]2OCCC[C@@H]2NC2CCC(C#N)CC2)cc1 602574108 WTQRAJRIMCYCKE-SOTJZCEJSA-N 298.430 3.887 30 20 CHED COC1CCC(CCNc2ccc(F)cc2C#N)CC1 347870059 FTJKSTCNKPYLLK-UHFFFAOYSA-N 276.355 3.705 30 20 CHED CC(C)(CCC#N)CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 449761940 CJAZIMZSQCAHSW-JYYAWHABSA-N 260.425 3.684 30 20 CHED CCOc1cccc(C=Nc2ccc(N(C)C)cc2)c1O 255052508 LUZMMMOZWNRVKM-UHFFFAOYSA-N 284.359 3.608 30 20 CHED C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 449904992 RWIJFYDXMHIVNS-GJZGRUSLSA-N 271.404 3.912 30 20 CHED C=CCC[C@@H](C)N[C@H]1C[C@H](c2cccc(OC)c2)C1 449620983 XRIBDVAYNROTLP-FVQBIDKESA-N 259.393 3.886 30 20 CHED Cc1cccc([C@H](C)CNc2nc3c(cc2C#N)CCC3)c1 524945987 JAEWJPWOIGAWEF-CQSZACIVSA-N 291.398 3.966 30 20 CHED C=C[C@H](C)NCc1cnc(CCc2ccccc2)s1 449192631 RHOPASMJRWNKBJ-ZDUSSCGKSA-N 272.417 3.592 30 20 CHED CC[C@H]1c2ccsc2CCN1Cc1cccc(C#N)n1 602445266 NOCAEPGKNJMXDG-HNNXBMFYSA-N 283.400 3.524 30 20 CHED CCO[C@@H](CC/N=C\c1ccccc1O)C1CCCC1 255355407 LKWOKGLKZVFZCF-XIDKLXSXSA-N 275.392 3.797 30 20 CHED C=CCCc1noc(-c2cnn(C(C)C)c2C2CC2)n1 351129718 FZPKHHJLIGAPRC-UHFFFAOYSA-N 272.352 3.510 30 20 CHED C[C@@H](CCC#N)CNC[C@@H]1CCCCC(F)(F)C1 602674745 YPARQTIUTRWQIN-QWHCGFSZSA-N 258.356 3.731 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2ccccc2)CC1 268230233 VEONQQWLPYBBOS-UHFFFAOYSA-N 255.361 3.560 30 20 CHED C=C(CC)CN[C@@H]1CCC[C@H](c2ncccc2C)C1 449734061 LSTPEMBLAAWALP-JKSUJKDBSA-N 258.409 3.972 30 20 CHED CCOc1ccccc1COc1ccc(C#N)cc1F 532017306 FEUXOOGXWKVCOH-UHFFFAOYSA-N 271.291 3.675 30 20 CHED C[C@H](C#N)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 530579396 ITJUICNCWMMTJL-CQSZACIVSA-N 298.430 3.682 30 20 CHED C=CCOc1ccc(CC(=O)N2CCCC[C@H]2CC)cc1 448558364 UQXWCUFOTOPOFZ-MRXNPFEDSA-N 287.403 3.585 30 20 CHED C=CCC1(C(=O)NCc2ccc(OCC)cc2)CCCC1 449436787 GIYYCSWGAOCYJK-UHFFFAOYSA-N 287.403 3.838 30 20 CHED Cc1cc(C)cc(N/C(N)=N/[C@H]2C[C@H](c3ccccc3)C2)c1 262762787 FZWMOOSVJKCFBA-SAABIXHNSA-N 293.414 3.976 30 20 CHED CCc1cc(C#N)ccc1OCCCC1CCOCC1 442115963 KXRQIXDGWLKTEN-UHFFFAOYSA-N 273.376 3.706 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@](C)(C#N)C1 612250446 HQDURSRGFRVTBL-YJBOKZPZSA-N 284.403 3.641 30 20 CHED CO[C@@H]1CCOc2c(N[C@H]3CCC[C@H](C#N)C3)cccc21 619202866 HKDPRAVBQVUGPN-HEHGZKQESA-N 286.375 3.651 30 20 CHED C[C@H](Cc1cccs1)N[C@H]1CCc2cc(C#N)ccc21 618806472 RDBIUDXDZWDXDE-PXAZEXFGSA-N 282.412 3.828 30 20 CHED CCc1nc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cs1 353429986 VLAAKQCRGVEKPF-ABAIWWIYSA-N 297.427 3.915 30 20 CHED CC(C)C(NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)C 610900964 SKPLDYHHKIPYGB-ZDUSSCGKSA-N 287.407 3.599 30 20 CHED C=CC[C@@H](CO)CNCc1cccc(-c2ccccc2)c1 538123194 HJBDBNCHTZYYAR-QGZVFWFLSA-N 281.399 3.628 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](COCC)C2)CCCCC1 449858813 FQWXYTYTEBJQOT-INIZCTEOSA-N 293.451 3.788 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 611465849 RXWAKHTZRSRFQF-ZJUUUORDSA-N 287.338 3.714 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C#N)cc1 265438805 YHHOCIBKOXCECL-IVMMDQJWSA-N 283.375 3.743 30 20 CHED N#Cc1cc(C(=O)Nc2cc(F)cc(F)c2)ccc1Cl 539367950 DJLWQVQJIBQIGS-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1ccsc1CCN[C@@H](C)c1ccc(C#N)cc1 538406672 OZSPYCYUVRKMQM-ZDUSSCGKSA-N 270.401 3.822 30 20 CHED COCC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 619754550 CVXRAXNRMKNNKI-BBRMVZONSA-N 292.810 3.506 30 20 CHED C=C(CC)CNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 455535195 LBXOZHGWTFESPR-HOCLYGCPSA-N 272.392 3.745 30 20 CHED C=C(C)CN1CCC(Nc2ccc(C(F)(F)F)cn2)CC1 264504865 RDYMHYXQTVZIHQ-UHFFFAOYSA-N 299.340 3.553 30 20 CHED C=CCC1(NC(=O)COC/C=C/c2ccccc2)CCCC1 619108402 UZIIZDBYCMULLY-DHZHZOJOSA-N 299.414 3.722 30 20 CHED CC(C)(CC#N)CNC(=O)c1cccc(-c2ccoc2)c1 457995594 QOYWQDVUGCELGZ-UHFFFAOYSA-N 282.343 3.616 30 20 CHED Cc1cc(CS[C@H](C)c2ccc(C#N)cc2)nn1C 610857189 ODPGATXOOUUENV-GFCCVEGCSA-N 271.389 3.595 30 20 CHED Cc1ccc([C@@]2(C)CCN(CCCCC#N)C2)cc1 364849196 RRSCVUNYKKBMLE-KRWDZBQOSA-N 256.393 3.652 30 20 CHED CCCN(Cc1ccc(O)cc1)Cc1ccc(C#N)cc1 611526600 WLKZYAVAYUXPPM-UHFFFAOYSA-N 280.371 3.676 30 20 CHED CC(C)[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 455881580 BRHNVVHESHXSAP-KRWDZBQOSA-N 298.430 3.631 30 20 CHED C[C@@H]1CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 611093237 NZTLNCDEEYWELX-SECBINFHSA-N 297.185 3.737 30 20 CHED C#Cc1cccc(NC2CCC3(CCCO3)CC2)c1 364565612 NLUZUOUEXLECMG-UHFFFAOYSA-N 255.361 3.572 30 20 CHED C=CCOc1ccc(Br)cc1NC(=O)CCC 458029524 GQOMFCNBJXPNNQ-UHFFFAOYSA-N 298.180 3.753 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C)CC2(C)C)c1 455961861 ACIDSAACFKAWIM-GFCCVEGCSA-N 271.364 3.519 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 542528933 ZXJWRLXDQPAABW-QMTHXVAHSA-N 276.767 3.520 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 453375474 WYQSNLDADHINLH-KURKYZTESA-N 296.414 3.787 30 20 CHED CC[C@@H](C#N)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 275410205 CGNBVWVQQXNWTE-DOTOQJQBSA-N 299.805 3.911 30 20 CHED CCCCCCCC(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 279823363 DRSQCBLFPZWTCW-CYBMUJFWSA-N 293.411 3.603 30 20 CHED C=C[C@@H](CC(=O)N1CC(C2CCCC2)C1)c1ccccc1 366827868 NRWKLJJDTWEKOI-HNNXBMFYSA-N 283.415 3.995 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@@H]2CCCC[C@@H]12 542040332 DEDZECAHUXJRNG-ISTRZQFTSA-N 272.367 3.708 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cc(C)c(O)c(C)c2)no1 278112169 IUYGSNMAOAWPED-GFCCVEGCSA-N 288.347 3.713 30 20 CHED CN(C(=O)CCCC#N)c1nc2cc(Cl)ccc2s1 362188674 NIQKTNIVXNYMGR-UHFFFAOYSA-N 293.779 3.606 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)C2(C)CCC2)cc1C#N 456111876 LSVJREDQEOOPIH-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1cc(C)ccc1O 273521465 UJKLTUIPYFRBCJ-OAHLLOKOSA-N 295.382 3.563 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2cc(C)cc(C)c2)no1 273686735 JAEGXROBNDUMMZ-AWEZNQCLSA-N 286.375 3.931 30 20 CHED CCC(CC)c1noc([C@@H](C)c2cccc(C#N)c2)n1 361253284 RNMGLHXWQGPJEA-NSHDSACASA-N 269.348 3.997 30 20 CHED CC(C)Oc1ccc(NC[C@H]2CCSC2)cc1C#N 278671681 NJDVNOUJKLUXIO-GFCCVEGCSA-N 276.405 3.510 30 20 CHED CC(C)(C#N)c1ccccc1CNC1(C2CC2)CC1 543453232 JDUUJUQIERETFP-UHFFFAOYSA-N 254.377 3.520 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1ccc2[nH]ccc2c1 276649964 MCXAETJVVTXTSQ-ZDUSSCGKSA-N 286.375 3.502 30 20 CHED C=CCC[C@@H](C)Nc1ncccc1CCCCOC 462828889 SCNNIKBGQIPPHO-CQSZACIVSA-N 262.397 3.817 30 20 CHED C=CCC[C@H](C(=O)NCCCCOCC)c1ccccc1 275025318 QZCAHZKIUAOGPZ-KRWDZBQOSA-N 289.419 3.669 30 20 CHED C=C(CC)CN[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 541687028 OJHFPRWIRZANFA-LBPRGKRZSA-N 289.354 3.801 30 20 CHED COc1cccc(CCCNc2ccc(C#N)cc2OC)c1 545999207 LCUAPQCVWBIWLT-UHFFFAOYSA-N 296.370 3.620 30 20 CHED C=CCCc1nc(-c2ccc(OC(C)C)c(OC)c2)no1 546941508 AUBYDYVAWBECHJ-UHFFFAOYSA-N 288.347 3.651 30 20 CHED CCCC[C@@H](NC(=O)c1ccc(C#N)cc1)C1CCC1 465116542 WGHCLHJGXZFRFC-MRXNPFEDSA-N 270.376 3.647 30 20 CHED CSc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C#N)C1 282664883 ITKNOARTNQZQOF-JHJVBQTASA-N 260.406 3.751 30 20 CHED CSc1ccccc1[C@@H](C)NCCCSCC#N 282081558 OBAIVQLZZSANIZ-GFCCVEGCSA-N 280.462 3.706 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 464757845 PQBUTJPSWQMNGM-ZDUSSCGKSA-N 298.386 3.564 30 20 CHED CN(C)c1ccc(CNCCCCC#N)c(C(F)(F)F)c1 280840050 KORFTSGOUXVIHE-UHFFFAOYSA-N 299.340 3.555 30 20 CHED CCc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1Cl 287796988 TXPNYCCQDVFEDA-JTQLQIEISA-N 279.771 3.668 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(C#N)oc1C 281413165 XGPBZDBLDFITSX-XHDPSFHLSA-N 274.364 3.501 30 20 CHED CC(C)CN(C(=O)c1ccc(C#N)s1)c1ccccc1 557780217 URYLODRNEGPOPR-UHFFFAOYSA-N 284.384 3.923 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C#N)cc1Cl 281996945 QBHUDVRYEQDQJN-LLVKDONJSA-N 277.755 3.688 30 20 CHED N#Cc1cc(CN2CC[C@H](c3ccc(F)cc3)C2)ccc1F 468285699 KKIQQUZAMULGTA-HNNXBMFYSA-N 298.336 3.826 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC)C(C)(C)c1ccccc1 467106755 LRWFNSBZFPHVIS-INIZCTEOSA-N 288.435 3.960 30 20 CHED C=C(C)CCN1CCC(n2c(C)nc3ccccc32)CC1 280325821 YYBBPFVHELTCRE-UHFFFAOYSA-N 283.419 3.948 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(F)(F)[C@@H](C)C1 289370868 BHBKDMNAPRYYMA-RYUDHWBXSA-N 264.319 3.596 30 20 CHED Cc1ccc(F)c(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1 550350807 DOEXRPKGGQNLJF-KRWDZBQOSA-N 288.366 3.727 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@]12CC[C@H](C)[C@@H](C)C2 639402940 CJODITSCZLBNOJ-SUNYJGFJSA-N 284.403 3.893 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CCOC)[C@@H]1CC[C@@H](C)C1 479756245 ZRWBNDKGNNTUCY-OWCLPIDISA-N 296.455 3.578 30 20 CHED C=CCCCCNC(=O)N[C@H](C)Cc1ccccc1C 472865894 ZQVFARNOWQRWHE-OAHLLOKOSA-N 274.408 3.582 30 20 CHED C=CCC[C@@H](Nc1cccc(C(=O)N(C)CC)c1)C1CC1 554090004 KNRQMSPYPDTABL-QGZVFWFLSA-N 286.419 3.935 30 20 CHED Cc1ccc(NC(=O)c2ccc(C#N)s2)c2c1NCCC2 557039382 BCNOMBLLVQRVGX-UHFFFAOYSA-N 297.383 3.539 30 20 CHED Cc1ccccc1-n1cc(/C=C/C(=O)c2cccs2)nn1 806568978 GMQYTUVRGBUIMP-CMDGGOBGSA-N 295.367 3.533 30 20 CHED C=CCCCCCCNC(=O)Nc1ccnn1C(C)C 806144477 WJBMKMXYQJEPRU-UHFFFAOYSA-N 278.400 3.722 30 20 CHED CSC1(C=NNc2ccc([N+](=O)[O-])cc2Cl)CC1 800811776 IQTUJDHSUDFZJJ-UHFFFAOYSA-N 285.756 3.542 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)OCCCC 470647640 ZHHDXEZCCBUFLF-MRXNPFEDSA-N 289.419 3.797 30 20 CHED C=C(C)COC(=O)c1ccccc1Oc1ccncc1 801498977 HNWROAXUPGNLRE-UHFFFAOYSA-N 269.300 3.607 30 20 CHED Cc1cc(C)c(COC(=O)CCCCCC#N)c(F)c1 805937724 KZWAZBHLZGHSPP-UHFFFAOYSA-N 277.339 3.960 30 20 CHED C=CCCCCCCN[C@@H](C)CC(=O)N1CCCCCC1 806168023 SVCDHZSDUVAGRS-KRWDZBQOSA-N 294.483 3.894 30 20 CHED C#C[C@H](NC(=O)c1cccs1)c1ccc(Cl)cc1F 804423086 GEDBUECHMMRPIO-LBPRGKRZSA-N 293.750 3.645 30 20 CHED N#Cc1ccc(NN=C2CCC[C@H]2CCCF)cc1 800810361 MIVIPZWXVBOQAQ-ZDUSSCGKSA-N 259.328 3.876 30 20 CHED COc1ccc(C(=O)/C=C\c2c[nH]c(C(F)(F)F)c2)cc1 806564807 GWFSIBISHMINFS-UQCOIBPSSA-N 295.260 3.938 30 20 CHED Cc1cc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)ccn1 297871311 UHNYBTFLJBNZFB-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)C1(C)C 804618378 SCRNTUOZUATDHV-UWVGGRQHSA-N 299.827 3.672 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H]1CCc2cc(Cl)ccc21 803318808 BQRRXXFCXWCBNE-NHYWBVRUSA-N 294.778 3.852 30 20 CHED O=C(O)c1cc(NN=CCCC2CC2)ccc1Cl 807943481 HBJYJQACFXMBJN-UHFFFAOYSA-N 266.728 3.626 30 20 CHED CS[C@H](C)CCC(=O)Oc1cc(C)c(C#N)c(C)c1C 809033486 SHELUDLXUBHLKL-LLVKDONJSA-N 291.416 3.921 30 20 CHED COc1cccc(O)c1/C=N/C[C@H]1CCCC(F)(F)C1 800721458 NPSPDPFQAJSTMF-HPAYWCODSA-N 283.318 3.645 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1ccccc1SC 800025129 DUCQOKUYHZTXCM-CYBMUJFWSA-N 294.416 3.996 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)c1cccc2ccccc12 561089805 LJZGSWPGYFXARY-ZDUSSCGKSA-N 273.339 3.701 30 20 CHED CC#CC(=O)N(CCCCC)Cc1ccc(Cl)cc1 801158763 NOQJYPRZGBANFI-UHFFFAOYSA-N 277.795 3.882 30 20 CHED CO[C@@](C)(C=NNc1ccccc1Cl)C1CC1 814691095 MDXFUIUSXASTKZ-ZDUSSCGKSA-N 252.745 3.553 30 20 CHED Cn1ccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)c1 564283842 VMIJAAUYLLITKW-UHFFFAOYSA-N 292.342 3.543 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1c1ncccc1C#N 563745236 CPAWZOKTDOSIJJ-TZMCWYRMSA-N 257.381 3.604 30 20 CHED C[C@@H]1C(=NNc2cccc(Cl)c2F)CC[C@H]1CC(=O)O 814818710 FVVWFWIQQPUBTK-IUCAKERBSA-N 298.745 3.768 30 20 CHED N#Cc1c(Cl)nsc1NC[C@@H]1C[C@H]1C1CCC1 819936666 SGXLHJKDRRLEKF-IUCAKERBSA-N 267.785 3.516 30 20 CHED C[C@@H](c1noc(CCc2ccc(C#N)cc2)n1)C(C)(C)C 566534839 PKGOLBKTHGRDLK-LBPRGKRZSA-N 283.375 3.876 30 20 CHED C=CCCCCS[C@H](C)C(=O)N1CCC(C)CC1 563611351 VDPGHDCQIBBEDT-CQSZACIVSA-N 269.454 3.723 30 20 CHED FC(F)(F)c1ccc(CON=Cc2nccs2)cc1 814882772 WWZQHDXNULJSEC-UHFFFAOYSA-N 286.278 3.713 30 20 CHED C#CC[C@@H](NC(=O)N(CC)C(CC)CC)c1ccccc1 812181849 USYYWQYEUYRPDD-QGZVFWFLSA-N 286.419 3.971 30 20 CHED COc1cc(C#N)ccc1CN[C@@H]1CCCCC1(C)C 481171131 DBCYMXCTLVCJKZ-MRXNPFEDSA-N 272.392 3.625 30 20 CHED CC#CCCNC(=O)N[C@H](C)c1cccc(Cl)c1Cl 483100274 SQDCOVFWPQCMKX-SNVBAGLBSA-N 299.201 3.767 30 20 CHED CC(C)(CCNC(=O)/C=C\c1ccccc1C#N)C1CC1 819156102 OLRRHLVIESRSNU-YFHOEESVSA-N 282.387 3.514 30 20 CHED CC(C)c1ccc(C(=O)OCC#Cc2ccc(F)cc2)nc1 811263722 QAYPYRNFBGLELE-UHFFFAOYSA-N 297.329 3.553 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1nc2ccsc2s1 488537289 PZHGKXSFDCRIAI-SECBINFHSA-N 293.417 3.930 30 20 CHED C=C(C)CCNc1ccccc1C(=O)N(C)C(C)C 656124014 UWLYWHUWPKQFOA-UHFFFAOYSA-N 260.381 3.545 30 20 CHED C(=NNc1ccccc1)c1conc1Cc1ccccc1 814684088 CUHSLKSZBDCPAA-UHFFFAOYSA-N 277.327 3.711 30 20 CHED N#CCCOCCN1CCCSc2ccc(Cl)cc21 815072458 MGMHCHCNNSKOOY-UHFFFAOYSA-N 296.823 3.572 30 20 CHED Cc1cc(CN[C@@H](C)c2c(F)cccc2F)ccc1C#N 488159484 ILWLZHPYTOKJPM-LBPRGKRZSA-N 286.325 3.996 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CC[C@H](C#N)C1 819631353 FVYMLBPOTRLHEJ-LSDHHAIUSA-N 264.413 3.936 30 20 CHED Cc1cccc(NN=Cc2ncc(Br)s2)c1 814687988 ZHMLPGSNSYBUOP-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C=CCCn1cc(CN(CCC)Cc2ccc(C)cc2)nn1 653481343 FEDCSKYXPAOJKW-UHFFFAOYSA-N 298.434 3.575 30 20 CHED C=CC[C@@H](C(=O)OCc1occc1C)c1ccccc1 816100546 IZVNQLHXVJCFOK-OAHLLOKOSA-N 270.328 3.991 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 481860893 IVKADNOMTFSKRT-YCPHGPKFSA-N 290.794 3.703 30 20 CHED CCC1(CNC[C@@H](O)c2ccc(C#N)cc2)CCCCC1 819235632 RMABZNBGXBOPSN-QGZVFWFLSA-N 286.419 3.542 30 20 CHED C[C@H](NN=C1CC(c2cccc(F)c2)C1)c1ccncc1 819816871 QVUDDPQGRQFYCH-SFVWDYPZSA-N 283.350 3.805 30 20 CHED Fc1ccc(NN=CCCC2CCOCC2)c(F)c1F 814945146 NRAAIWUDQSGWIH-UHFFFAOYSA-N 286.297 3.708 30 20 CHED CCOCCON=C/C(C)=C\c1ccccc1OC(F)F 811648494 LPMVUYDUMUTTFJ-UXZDFTMUSA-N 299.317 3.730 30 20 CHED CC(C)(CCNC(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 574667719 OVWIXFQXOLBOFO-MRXNPFEDSA-N 298.430 3.701 30 20 CHED C=CCCCCCNC(=O)N1Cc2ccc(C)cc2C1 654666674 FEIOTNMGIMDDCK-UHFFFAOYSA-N 272.392 3.767 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2cc(F)ccc2[C@H]1C 653093258 HFDJANUYBPDZDQ-GFCCVEGCSA-N 290.382 3.667 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(O)cc1F 729932885 RGWMQNFPAMLSSZ-UHFFFAOYSA-N 272.323 3.930 30 20 CHED CCC(C)(C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 726858829 QKARATQCTKTUBJ-CYBMUJFWSA-N 266.344 3.847 30 20 CHED N#Cc1cccc(COC(=O)C2CCCCCC2)c1 726212748 YFCGAOIJGYCIAN-UHFFFAOYSA-N 257.333 3.572 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(OC)nc1Cl 821873828 JSDRMYGOQCEJNF-UHFFFAOYSA-N 297.786 3.610 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 824721773 JKSGEUIHHHNKMT-DOMZBBRYSA-N 288.391 3.715 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)C1 828293123 KNTOJQYFCUQCDR-ZIFCJYIRSA-N 296.414 3.723 30 20 CHED CC(C)(C)OC(=O)CSCCCCC1(C#N)CCC1 901533982 FGCLJJPHFJTWCB-UHFFFAOYSA-N 283.437 3.925 30 20 CHED COc1cc(CS[C@@H](C)c2ccc(C#N)cc2)on1 902325026 HVIBBWZUXFZRQA-JTQLQIEISA-N 274.345 3.549 30 20 CHED C=C(C)CNC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 490058969 UAHFEQBXBKKCAN-UHFFFAOYSA-N 287.403 3.676 30 20 CHED CC(=NNc1cc(C)ncn1)c1cccc(C(F)(F)F)c1 731934585 CXNARSSQWWXCNB-UHFFFAOYSA-N 294.280 3.640 30 20 CHED Cc1ccc(OCCNC2CCC(C)(C#N)CC2)c(C)c1 583184697 MUDDQVBYFKSFEY-UHFFFAOYSA-N 286.419 3.744 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(OCC)c(Cl)c1 581002302 DVKOYUAPPZFOGB-INIZCTEOSA-N 295.810 3.957 30 20 CHED CC(C)(C(=O)OC[C@H](C#N)Cc1ccccc1)C1CCC1 835210338 QOBVSBLVJNZSAJ-HNNXBMFYSA-N 285.387 3.738 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CC)c1ccc(Cl)s1 736403514 VXGXCXZCQBTHFA-MRVPVSSYSA-N 293.219 3.904 30 20 CHED CCc1ccccc1NN=Cc1sc(C)nc1C 736430082 NFTOCOIXBQABJX-UHFFFAOYSA-N 259.378 3.768 30 20 CHED CC(C)(NCc1ccccc1C#N)c1ccccc1F 492101841 CTRDFYKOKILRQC-UHFFFAOYSA-N 268.335 3.722 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)C#N)cc1Cl 903100168 IPEJXCVCOMPWBU-JTQLQIEISA-N 266.772 3.549 30 20 CHED C/C(=C(\F)C(=O)N[C@H](C#N)c1ccc(Cl)cc1)C1CC1 900608861 QBAPTULZTQNUFH-OZYJXZHSSA-N 292.741 3.674 30 20 CHED C#CCCCCC(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 837928731 IBRQKTVDWMBEOB-ZWKOTPCHSA-N 283.415 3.975 30 20 CHED CC(=NNc1nccnc1Cl)c1ccc(F)c(Cl)c1 733079099 UPWDBRZKPHZKCK-UHFFFAOYSA-N 299.136 3.759 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccnc2ccccc12 731313432 ZCHWZGXWMMXNAQ-UHFFFAOYSA-N 292.298 3.589 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nc(CC3CCCC3)no2)c1 582232077 FJEXNBOTHHEOTE-JKSUJKDBSA-N 293.370 3.945 30 20 CHED CCC[C@@H](C=NNc1ccc(C#N)cc1C(F)(F)F)OC 834976092 HQJKWGRHPIMZDU-NSHDSACASA-N 299.296 3.790 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)[C@H](C#N)CC 593731628 FQUCNVIEAJDYAS-KBPBESRZSA-N 252.402 3.744 30 20 CHED CC(C)CC(CC(C)C)C(=O)O[C@H](C#N)C1CC1 835196463 ZAKGZQVXEJNVQV-CQSZACIVSA-N 251.370 3.540 30 20 CHED C[C@H](CC(=O)O[C@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 839053489 SSJXCDFCWRIHHF-IOASZLSFSA-N 289.350 3.945 30 20 CHED CCC(CC)c1noc(-c2ccc(C#N)cc2OC)n1 904004514 XEYKBGPTJJLDHV-UHFFFAOYSA-N 271.320 3.520 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)/C=C\c2ccc(Cl)cc2)C1 839044201 PRLIMUNTPYKQKY-HYWXAPFVSA-N 289.762 3.979 30 20 CHED C=C(C)COc1cccc(NCc2ccc(O)cc2)c1 679392515 NXUMUFSYJPUBCC-UHFFFAOYSA-N 269.344 3.959 30 20 CHED C=CC[C@H](NC(=O)c1ccc(CC)s1)c1ccncc1 734457113 GIODVDMZAPZDEL-AWEZNQCLSA-N 286.400 3.753 30 20 CHED C=C1CCN(C(=O)c2ccc(C(F)(F)F)s2)CC1 671701497 ZBGMXIURFJCNFH-UHFFFAOYSA-N 275.295 3.559 30 20 CHED C#CCOc1ccc(CNCc2coc3ccccc23)cc1 734003947 CEQVTZSFRYOOLG-UHFFFAOYSA-N 291.350 3.735 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)Nc1cc(C#N)ncn1 584388437 UQFLKYKCGAYJDJ-CYBMUJFWSA-N 280.375 3.517 30 20 CHED CCOc1cccc(/C=N\[C@H]2CC(C)(C)OC2(C)C)c1O 588393681 UPZQXMOQVPXUHK-DZBQEORWSA-N 291.391 3.556 30 20 CHED CCc1nocc1/C=C/C(=O)c1cc(C)cc(C)c1 834425298 OXAXZSPMIKHXII-AATRIKPKSA-N 255.317 3.750 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 583901731 PYLOKNGEMIIVFJ-KURKYZTESA-N 298.430 3.729 30 20 CHED N#CCCCC(=O)NCCc1ccc(-c2ccccc2)cc1 589708274 OYFQIAFLUHSENG-UHFFFAOYSA-N 292.382 3.706 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C\C1CCCCC1 735469671 VHMZKKZVUQURAN-KTKRTIGZSA-N 276.424 3.911 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H](CC)c2ccccc2)c1 915340141 CBXWUYDHUUKDTG-INIZCTEOSA-N 292.382 3.983 30 20 CHED CCCCCCCC(=O)Nc1cnn(-c2ccccn2)c1 739655621 UJVBICIEFVOZSF-UHFFFAOYSA-N 286.379 3.566 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CCCC[C@@H]1C(C)(C)C 916015744 IYKPEDKZZRCQPF-QWHCGFSZSA-N 268.470 3.632 30 20 CHED Cc1ccc(SC2(CNCCC#N)CCCC2)cc1 591750336 LSOIEOKNCOCZLM-UHFFFAOYSA-N 274.433 3.903 30 20 CHED CN(C(=O)c1ccccc1SCC#N)C1CC(C)(C)C1 838145817 GMTNDYLXVKSOTH-UHFFFAOYSA-N 288.416 3.563 30 20 CHED Oc1c(F)cc(C=NNc2cccc3cnccc23)cc1F 749855436 NPYJHLVVQYQFQI-UHFFFAOYSA-N 299.280 3.665 30 20 CHED CC(CCc1ccccc1)=NNc1ccc(Cl)nn1 916288101 MGGLJNVOZOBPEM-UHFFFAOYSA-N 274.755 3.551 30 20 CHED Cc1cc([C@H]2CCCN2CCC2(C#N)CCCCC2)no1 839459725 QPAMUBPFRGOJOB-MRXNPFEDSA-N 287.407 3.984 30 20 CHED CC[C@](C)(C#N)NC(=O)CCCc1ccc(SC)cc1 592609219 JAUNCJLMHWJQIP-MRXNPFEDSA-N 290.432 3.540 30 20 CHED CCc1ccccc1NN=Cc1ccc(OCC#N)cc1 915051254 AUXSTJFGILNFES-UHFFFAOYSA-N 279.343 3.597 30 20 CHED C=CCOc1ccc(OC(=O)c2scnc2Cl)cc1 742860085 KLSVSMIAZGDMAX-UHFFFAOYSA-N 295.747 3.581 30 20 CHED CCc1ccccc1NN=Cc1cccc(OCC#N)c1 915959268 KUQFRQHUEBDRMT-UHFFFAOYSA-N 279.343 3.597 30 20 CHED CCc1cc(C(=O)N(CC)CC#N)sc1-c1ccccc1 593969467 IUWXTCHLCKNORK-UHFFFAOYSA-N 298.411 3.963 30 20 CHED CCCCC[C@@H](NC(=O)[C@H](C#N)CC)C(C)(C)C 845529041 QVYONJOAZFPKRM-QWHCGFSZSA-N 252.402 3.647 30 20 CHED COc1ccc(Cl)cc1/C=C\C(=O)c1cccnc1 917143521 IDQQAWGXNGKPNF-XQRVVYSFSA-N 273.719 3.640 30 20 CHED Cc1cc(F)c(C=NN[C@@H]2CCOC(C)(C)C2)c(Cl)c1 841632019 CKJHRRDGIUIZEZ-LLVKDONJSA-N 298.789 3.669 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 597997993 KOWBVJWTSOQSCG-GFCCVEGCSA-N 288.778 3.640 30 20 CHED C=CCN(C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1)C(C)C 918078411 STFJRYLVGWZEHF-GXTWGEPZSA-N 276.380 3.509 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1ccc(OC)cc1 840748397 GJCVGRABTHYVQV-UHFFFAOYSA-N 278.421 3.584 30 20 CHED C=C(CNC(=O)Nc1cc(C)ccc1OC)c1ccccc1 672599415 OFDTWDARYASAPY-UHFFFAOYSA-N 296.370 3.839 30 20 CHED CCC#C[C@@H](C)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 678745380 QEPAJDLKHALTFS-HUUCEWRRSA-N 289.419 3.935 30 20 CHED CC(C)Cc1ccc(CC(=O)OCCCCC#N)cc1 914623629 FGORNJNJFNJABK-UHFFFAOYSA-N 273.376 3.665 30 20 CHED CCN(C(=O)c1ccc(-c2ccc(C)o2)s1)[C@H](C)C#N 598358564 PTBZVNSVLNOVIO-SNVBAGLBSA-N 288.372 3.691 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C#N)ccc1OC)C(C)C 270659449 MKQXRBKMFAPLMZ-CYBMUJFWSA-N 274.364 3.578 30 20 CHED Cc1cc(NN=Cc2ccccc2C(F)(F)F)nc(C)n1 915970589 IFDXZLOCCIKUAN-UHFFFAOYSA-N 294.280 3.558 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)[C@@H](CC)Cc1ccc(C)cc1 593489352 QUUMZOSPBPRUGZ-IRXDYDNUSA-N 286.419 3.714 30 20 CHED CN(C(=O)CC1CCC(C)(C)CC1)c1ccc(C#N)nc1 593273571 NFHLBIIUVOHKQB-UHFFFAOYSA-N 285.391 3.523 30 20 CHED CCCCOc1ccc(C(C)=NOCC)cc1OC 915957906 AVNVACICMMVUDD-UHFFFAOYSA-N 265.353 3.635 30 20 CHED CC[C@H](C)CCCCC(=O)NCC(C)(C)CC#N 590916499 VCZLLOVXEBSBEC-ZDUSSCGKSA-N 252.402 3.649 30 20 CHED C#CCN(CC)C(=O)Nc1cccc(OCCC(C)C)c1 749227522 LBOVGJKKWAFSKH-UHFFFAOYSA-N 288.391 3.599 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1ccc(OCC#N)cc1 741795026 WRYZBXVRLPRROH-CABCVRRESA-N 272.392 3.599 30 20 CHED Cc1cccc(Cl)c1CSCCO[C@H](C)C#N 842185331 ZIVSURPNBLWQJG-LLVKDONJSA-N 269.797 3.810 30 20 CHED C[C@H](O)CN(C)N=C1CCC[C@H](c2ccc(Cl)cc2)C1 841648500 LTHZTYXWABZOPT-JSGCOSHPSA-N 294.826 3.666 30 20 CHED C=C[C@@H](C)NC(=O)C(F)(F)c1cccc(Cl)c1Cl 843564815 IGUYOCUQJLLDNX-SSDOTTSWSA-N 294.128 3.776 30 20 CHED COc1ccc(CSCC2(CC#N)CC2)cc1F 596322955 WHEUSILYUMHPFH-UHFFFAOYSA-N 265.353 3.761 30 20 CHED CCN(Cc1ccc(O[C@@H](C)C#N)cc1)Cc1occc1C 840970158 OPPZHMQUSDSZIQ-HNNXBMFYSA-N 298.386 3.901 30 20 CHED CC[C@@](C)(OC)c1noc([C@H](C)Cc2ccc(C#N)cc2)n1 594531444 RUAVPIWUVJENAH-SJKOYZFVSA-N 299.374 3.559 30 20 CHED CCCCc1ccc(CC(=O)OCC2(CC#N)CC2)cc1 744279277 DJVWBWHREKCWLZ-UHFFFAOYSA-N 285.387 3.809 30 20 CHED C#CC[C@@H](N[C@H](C)C1(Br)CC1)c1ccccc1 925634017 HRDUIKMAJQZTFW-TZMCWYRMSA-N 292.220 3.657 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1ccnn1C(C)C)C2=O 848642374 GAEMEUINIJFKLU-XNTDXEJSSA-N 280.371 3.903 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCCc1cccnc1 849861415 ZJRODXIDQSSUKW-UHFFFAOYSA-N 288.391 3.668 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCCCCCC1 847076886 VCTISIFRTHZAEJ-INIZCTEOSA-N 298.430 3.920 30 20 CHED C=CCN(C(=O)C(F)(F)c1ccccc1OCC)C(C)C 753071826 SHRMSXCNQUNBKP-UHFFFAOYSA-N 297.345 3.600 30 20 CHED C#CC[C@H](N[C@@H](C)c1cc(OC)ccn1)c1ccccc1 925632759 AMUBTNMRRQIBEU-YOEHRIQHSA-N 280.371 3.505 30 20 CHED Cc1ccc([C@H](C)Nc2nc(C#N)ccc2C)s1 853229791 LARVMKJYVJDESF-NSHDSACASA-N 257.362 3.805 30 20 CHED COc1cccc2c1CCC(=NNc1ccc(C#N)cc1)C2 754932606 NKILPTVRPSNGCJ-UHFFFAOYSA-N 291.354 3.524 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H]1CCc2ccc(F)cc21)OCC 756569928 LOYDYOHOCMOFBH-CVEARBPZSA-N 292.350 3.728 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccnc(-c3ccco3)c2)no1 924265231 PUQQBYMXDRZVCV-MRXNPFEDSA-N 294.314 3.583 30 20 CHED C=CCCCCNC(=O)N1CC(C)(C)c2ccccc21 681192315 VSTBNULUYXTHDR-UHFFFAOYSA-N 272.392 3.850 30 20 CHED C#CCCCC/N=C/c1c(O)ccc2ccccc12 758358473 JOBHLKWRKHGFTK-QGOAFFKASA-N 251.329 3.768 30 20 CHED COc1cccc(/C=N\CCc2cccc(Cl)c2)c1O 920945354 WAVRUJYWHWFUAU-WQRHYEAKSA-N 289.762 3.716 30 20 CHED C#CCCSc1nnc(-c2cccc(Cl)c2)o1 751757341 UFJMBQLAISOGGV-UHFFFAOYSA-N 264.737 3.505 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccccc2C)cc1 920971179 SRRQPDJWILQHOK-UHFFFAOYSA-N 278.355 3.864 30 20 CHED Cc1cc(F)ccc1NN=Cc1nc(C)n2ccccc12 750946350 PFOQRJQCBKOFCU-UHFFFAOYSA-N 282.322 3.536 30 20 CHED CCc1ccc(CCC=NO[C@H]2CCCCO2)cc1 758130560 XARDOSFISQYENP-INIZCTEOSA-N 261.365 3.711 30 20 CHED CC1(C)CCC[C@@H](C=NNc2ccc(Cl)nn2)C1 752717759 JFNGUOFUQVZYPW-SNVBAGLBSA-N 266.776 3.744 30 20 CHED Clc1cc(Cl)c(NN=CC2CC2)nc1Cl 755546236 PUFLZYHYQKCNPQ-UHFFFAOYSA-N 264.543 3.850 30 20 CHED C#CCCCCNC(=O)/C=C(/C)c1ccccc1Cl 758636675 NMYHKGHFHNSXAI-SEYXRHQNSA-N 275.779 3.663 30 20 CHED C#CC[C@@H](NCc1ccc(F)cc1F)c1ccccc1 756995026 CBSPYGKJZFKFIW-QGZVFWFLSA-N 271.310 3.819 30 20 CHED C=CCCCCCCCNC(=O)c1cc(CC)cnc1O 854499790 LJETZODFAXSGII-UHFFFAOYSA-N 290.407 3.606 30 20 CHED C#Cc1cccnc1N1C[C@H](c2ccc(F)cc2)C[C@H]1C 853356859 ZJWZUHDQBCJTIV-CZUORRHYSA-N 280.346 3.584 30 20 CHED CC(=NNc1cc(C)ccn1)c1cccc(Cl)c1 755907183 WUDWDHYWOBAVSZ-UHFFFAOYSA-N 259.740 3.880 30 20 CHED Cc1cnccc1CN1CCC(c2ccc(C#N)cc2)CC1 933607052 NEMOGJOEGBAIFL-UHFFFAOYSA-N 291.398 3.641 30 20 CHED C#C[C@H](CC)NC(=O)N(CCC)[C@@H]1CCc2ccccc21 753272059 HEHSBDYBULACGJ-NVXWUHKLSA-N 284.403 3.507 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1OCC(F)F 934788526 UACISMLNRDEPGW-NSHDSACASA-N 283.318 3.871 30 20 CHED Fc1cc(NN=C2CC(C(F)F)C2)cc(F)c1F 766024487 FGGLJXSZVPTQLW-UHFFFAOYSA-N 264.197 3.547 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(C)oc1C 767900827 YYADXPLVOOBKQA-UHFFFAOYSA-N 267.332 3.691 30 20 CHED C[C@H](OC(=O)C[C@@H]1CCC[C@@H]1C)c1cccc(C#N)c1 769293593 OQXOSLUMUAWTEU-YDHLFZDLSA-N 271.360 3.989 30 20 CHED N#Cc1ccc(Sc2ncc(Cl)s2)c(F)c1 765036504 YFIGVOKUNHRDMC-UHFFFAOYSA-N 270.741 3.958 30 20 CHED Cc1ccc2c(CCC(=O)OCC(C)(C)CC#N)c[nH]c2c1 764847729 ALOXKBMLVNWXGI-UHFFFAOYSA-N 298.386 3.892 30 20 CHED C[C@H](/N=C\c1c(O)ccc2ccccc12)C1CCOCC1 761786520 QCKZFCQPGYTEQZ-QXGSTRBFSA-N 283.371 3.779 30 20 CHED C#CCCOc1ccc(CN2CCC(C(F)F)CC2)cc1 769445811 KMOGBXLSBACWJN-UHFFFAOYSA-N 293.357 3.566 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H]2CCC(C)(C)C2)cc1 768661772 KRCXLBBFRPIFDG-HIFRSBDPSA-N 272.392 3.646 30 20 CHED CC(C)(C)CCNN=Cc1sccc1Br 764909042 ZPNQHMLOXGYWCR-UHFFFAOYSA-N 289.242 3.870 30 20 CHED Fc1cc(NN=C2CC[C@H]2c2ccccc2)ccn1 769800701 FMNSVAYRUAPGDO-ZDUSSCGKSA-N 255.296 3.566 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@@H]2CCC(C)(C)C2)cc1 768661773 KRCXLBBFRPIFDG-UKRRQHHQSA-N 272.392 3.646 30 20 CHED CC(C)CC1CCN(C(=O)c2cccc(CC#N)c2)CC1 760938014 CUZNZOHSMMDZRT-UHFFFAOYSA-N 284.403 3.651 30 20 CHED C[C@@H]1CCC[C@H](c2nnc(COc3ccc(C#N)cc3)o2)C1 1117173279 GXITWODZQABZJC-OCCSQVGLSA-N 297.358 3.814 30 20 CHED N#Cc1c(F)ccc(C=NOCc2ccccc2)c1Cl 761782119 OVSNUJPHFMJNHZ-UHFFFAOYSA-N 288.709 3.901 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H](F)Cc1ccccc1 768842381 MTIAAQVAQCCEHZ-OAHLLOKOSA-N 291.366 3.830 30 20 CHED C#CCCCCCC(=O)OCc1cccc(OC(F)F)c1 779974491 ZNKLALXMJANZAS-UHFFFAOYSA-N 296.313 3.915 30 20 CHED COc1cccc(NN=Cc2c(C)oc3ccccc23)n1 779820700 MTRZLSWRPJLFTJ-UHFFFAOYSA-N 281.315 3.591 30 20 CHED C[C@@H](C(=O)OCC#Cc1ccc(F)cc1)c1cccs1 771362974 QVVHSAPCYBVAME-GFCCVEGCSA-N 288.343 3.586 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)Cc1ccccc1CC#N 776936868 RZZLZSUIRDXIBA-KEYYUXOJSA-N 285.387 3.663 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)O[C@H](C#N)C2CCCCC2)C1 776390799 ZFEIUGUEKXPZOX-BPLDGKMQSA-N 263.381 3.828 30 20 CHED CCCCCCCN[C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1 776823336 NXAKNEQVVNJYKI-JKSUJKDBSA-N 298.471 3.803 30 20 CHED C=CC[C@H](OC(=O)c1ncc2n1CCCC2)c1ccccc1 870303738 UTKIIYOTTJQPBS-INIZCTEOSA-N 296.370 3.694 30 20 CHED CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCCC#N 872031692 LMALZQKMZDUZMU-NSHDSACASA-N 293.392 3.661 30 20 CHED CC[C@@H](NCC1(C#N)CC1)c1ccc(OC(F)F)cc1 776009284 FUVOLBYZEQDLCA-CYBMUJFWSA-N 280.318 3.632 30 20 CHED Cc1cc(F)ccc1OC(=O)c1ccc(C#N)c(Cl)c1 777756173 VSDLKYWZNHYQKP-UHFFFAOYSA-N 289.693 3.878 30 20 CHED N#CCc1ccccc1CC(=O)Oc1cccc(Cl)c1 776726936 QTFLPUPGUZBRKZ-UHFFFAOYSA-N 285.730 3.554 30 20 CHED C=CCN(Cc1coc(-c2ccccc2OC)n1)C(C)C 877976633 PMNPDZMIJQZDSH-UHFFFAOYSA-N 286.375 3.747 30 20 CHED C=CCCOCCCCC(=O)Oc1ccc(F)c(C)c1 776097627 NKMDEWCMMFEZCU-UHFFFAOYSA-N 280.339 3.803 30 20 CHED O=C(/C=C/c1cscc1Cl)c1cc(O)ccc1O 771860537 RYYRTGWRASBSFQ-HNQUOIGGSA-N 280.732 3.709 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ccc(Cl)nn1 773189213 XGMPWTWENJJLPI-WDEREUQCSA-N 264.760 3.520 30 20 CHED C#C[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 773593138 NQEQSPBFIWBITD-ABAIWWIYSA-N 290.794 3.502 30 20 CHED C=C(CNCc1cccc(C)c1O)c1ccccc1 776089565 VEAHKYYWAPSRFG-UHFFFAOYSA-N 253.345 3.504 30 20 CHED O=C1/C(=C\c2nc3c(s2)CCCC3)Oc2ccccc21 776263259 CFYYHGINWYESMR-UKTHLTGXSA-N 283.352 3.638 30 20 CHED CC[C@@H](N[C@H](C)c1ccc[nH]1)c1ccc(C#N)cc1 774267256 OARXPFJMOIXSGL-IUODEOHRSA-N 253.349 3.688 30 20 CHED Cn1c(C/N=C/c2ccccc2O)nc2cccc(Cl)c21 773905838 JYKPMWJJZRYUDQ-GIJQJNRQSA-N 299.761 3.551 30 20 CHED CC[C@H](N[C@H]1CC[C@@H](SC)C1)c1ccc(C#N)cc1 774216788 ZNLUWUKLXGGTJC-XHSDSOJGSA-N 274.433 3.883 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)CCc2ccc(Cl)c(F)c2)C1 1122655392 KRMHBTRPJOLBAS-RYUDHWBXSA-N 295.741 3.647 30 20 CHED C#C[C@H](C)NC(=O)C1(Sc2ccc(C)cc2)CCCC1 772976304 KZCOQKIAQTUYCH-AWEZNQCLSA-N 287.428 3.538 30 20 CHED CCC[C@H](CC)C(=O)Nc1ccc(C#N)cc1C(C)=O 1128965615 NSCZHAKZATWJGZ-ZDUSSCGKSA-N 272.348 3.526 30 20 CHED CC(C)(C#N)CCCOC(=O)C1(c2ccccc2)CC1 781937163 OJWFVVUNPJOWSM-UHFFFAOYSA-N 271.360 3.591 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1cccc(C#N)c1C 1126744238 OXJBYOOHDUVHCK-OAHLLOKOSA-N 272.392 3.955 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@H]1CCCC(F)(F)C1 1122882573 KKJMOVHWVVGGCV-NSHDSACASA-N 273.323 3.685 30 20 CHED Cc1ccc(N[C@@H](C)c2ccc(C)s2)c(C#N)n1 881837226 PPOVTBFZSZKOOF-NSHDSACASA-N 257.362 3.805 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1CCC(=C)CC1 888565642 PXDAXHOHPIMKTF-UHFFFAOYSA-N 294.398 3.819 30 20 CHED C=CCCCC(=O)OCc1ccc(-n2cccn2)cc1C 784305109 DJDKIRUHXBBPJP-UHFFFAOYSA-N 284.359 3.580 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cccnc2)cc1F 782302587 QUQQCOSXRQVHIX-ALCCZGGFSA-N 271.291 3.516 30 20 CHED CCC1(C(=O)OCCCC(C)(C)C#N)CCCC1 784106559 XKZSAARTTGMQQX-UHFFFAOYSA-N 251.370 3.830 30 20 CHED N#C[C@@H](NC(=O)c1ccccc1C(F)(F)F)C1CCCC1 893705324 RYEFILZBCMVNAZ-CYBMUJFWSA-N 296.292 3.518 30 20 CHED CC[C@@H](CC#N)OC(=O)c1oc2ccc(F)cc2c1C 787088485 MNZSAWZLIGPVCQ-NSHDSACASA-N 275.279 3.729 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)OCc1ccc(CC#N)cc1 1127470789 KPRQTJLZPMWUCI-OAHLLOKOSA-N 293.366 3.908 30 20 CHED CC(C)(C#N)CCCOC(=O)C(C)(C)c1ccc(O)cc1 785032146 AHBSDLCKOGASRB-UHFFFAOYSA-N 289.375 3.543 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1nc2ccccc2[nH]1 783791671 YCZPWUQNOMRGOY-VXGBXAGGSA-N 256.353 3.787 30 20 CHED CC[C@@H](C#N)OC(=O)C1(Cc2ccc(Cl)cc2)CC1 781201036 BDOFABMATJFFBG-ZDUSSCGKSA-N 277.751 3.508 30 20 CHED C[C@@H]1CCC(=NNc2cnc3ccccc3n2)[C@H](C)C1 783838992 AQEOZHAUMCANGT-VXGBXAGGSA-N 268.364 3.854 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc([N+](=O)[O-])cc1Cl 782288895 SRMPTRFQYZSUPI-ZDUSSCGKSA-N 295.770 3.750 30 20 CHED C#CCC1(C(=O)NCc2cccc3cc[nH]c23)CCCCC1 788255239 BTSAENBZFVJVSV-UHFFFAOYSA-N 294.398 3.758 30 20 CHED Cc1ccc(-c2ccccc2CNCCC#N)c(C)c1 894081964 LOHYUYHKOUGYEM-UHFFFAOYSA-N 264.372 3.974 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)c(C)o2)cc1O 799897047 MPMRGBLMQDMOHM-XQRVVYSFSA-N 272.300 3.507 30 20 CHED O=C(/C=C/c1cnn(C2CCC2)c1)c1ccnc(Cl)c1 899366244 JFJXXQNOAKJCMR-SNAWJCMRSA-N 287.750 3.553 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)nc1 797569036 ZYVYNXYQZGRGOF-LLVKDONJSA-N 299.399 3.634 30 20 CHED COc1ccccc1CON=C1CCc2ccc(F)cc21 799118716 RBOIDKNYWSURDO-UHFFFAOYSA-N 285.318 3.701 30 20 CHED CC[C@@H](C)c1ccccc1OC(=O)c1ccc(C#N)o1 796730749 FWIXCPIIFPQYNB-LLVKDONJSA-N 269.300 3.884 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC(C)(C)[C@H]1c1ccccc1 791065918 DBKDFSYSUNLYBZ-JKSUJKDBSA-N 284.403 3.581 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@H](CC(=O)OC)[C@H]1C 794514511 CQOUEXSRHNANMK-RRFJBIMHSA-N 296.455 3.900 30 20 CHED C#CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 792272458 PTXTXXOVSCFXHV-SFHVURJKSA-N 278.330 3.552 30 20 CHED CC[C@H](C)CON=C(C[C@@H]1CCOC1)c1ccccc1 793146282 POHVBYWMFAJDFN-GJZGRUSLSA-N 275.392 3.880 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)c(C#N)c1 799339415 OJZLQWADZCMAQE-GUYCJALGSA-N 284.403 3.908 30 20 CHED CC(C)=CCC/C(C)=C/C=NNc1ncncc1F 793214885 RUEGRAJOYLTVOD-DKQWYUGSSA-N 262.332 3.706 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H](O)c1ccccc1 793521153 VJWZQBMRHMFDRZ-NVXWUHKLSA-N 261.409 3.835 30 20 CHED COc1ccc(C=NNc2nc(C3(C)CC3)cs2)cc1 792687450 PZHHTYLPYGHFNA-UHFFFAOYSA-N 287.388 3.649 30 20 CHED N#Cc1c[nH]ccc1=NCC1(Cc2ccccc2)CCCC1 1307082284 APZPNJAITBJXSI-UHFFFAOYSA-N 291.398 3.590 30 20 CHED O=C(/C=C/c1cccs1)c1ccc(F)c(F)c1 57435311 KPTWJKYRKDLLNU-GQCTYLIASA-N 250.269 3.922 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1ccc(O)cc1O 1317712348 JGSPACUHUSEASE-UHFFFAOYSA-N 290.750 3.896 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccncc2)cc1OCC 83202079 XQNWLSAPNRLVBJ-FNORWQNLSA-N 297.354 3.775 30 20 CHED Cc1ccccc1-n1nccc1/C=C/c1cc(C#N)ccn1 1322818236 BVCACAVFGBDISC-VOTSOKGWSA-N 286.338 3.618 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21 1328092229 VZPLFWUTZBTWED-NHIYQJMISA-N 287.403 3.572 30 20 CHED C=C1CCN(CCCOc2ccc(Cl)cc2)CC1 517468726 VOHUVPKFHIWPKQ-UHFFFAOYSA-N 265.784 3.761 30 20 CHED Cc1cccc(-c2noc(-c3cccc(C#N)c3C)n2)c1 1327246729 LGAWHCRGXXYKCL-UHFFFAOYSA-N 275.311 3.892 30 20 CHED CC[C@@H](NCc1cccc(OCC#N)c1)c1cccc(F)c1 1324333530 DCDNVGQJRRQFCV-GOSISDBHSA-N 298.361 3.969 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1329267534 VWRGTKZNNGCYLK-GJZGRUSLSA-N 291.439 3.538 30 20 CHED C[C@@H](CCCC(F)(F)F)NC(=O)CC#Cc1ccccc1 1324576625 RMXGHAKPDCAQEC-ZDUSSCGKSA-N 297.320 3.666 30 20 CHED C=CCOc1cc(OC)ccc1-c1nnc(CC(C)C)o1 1322407458 VHKLRLFNDNURPE-UHFFFAOYSA-N 288.347 3.509 30 20 CHED C#CCCCCC(=O)Nc1nc(C(C)(C)C)cs1 692914811 BHESHWAWAZSJSL-UHFFFAOYSA-N 264.394 3.573 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1329457598 KNBCZGBXAFEFPX-SNVBAGLBSA-N 284.762 3.758 30 20 CHED CC(C)C(C)(C)Nc1ncc(Br)cc1C#N 570284194 AWJYRESQGDNSQY-UHFFFAOYSA-N 282.185 3.562 30 20 CHED CN(c1cccc(C#N)n1)[C@@H]1CCC[C@H]1c1ccccc1 1186673217 VVTHFWXIECXPJO-DLBZAZTESA-N 277.371 3.726 30 20 CHED C=CCCCOc1ccc(C=O)cc1Br 70592656 QDAFHXQPNHBNKA-UHFFFAOYSA-N 269.138 3.607 30 20 CHED Fc1ccc(CNN=C/C=C\c2ccc(F)cc2F)cc1 1337814678 IVADEAJSQUJTAD-QUOARBMVSA-N 290.288 3.893 30 20 CHED COc1cc(CSc2ccc(C#N)cc2Cl)sn1 1188971891 VNHZXUDSMZVQCQ-UHFFFAOYSA-N 296.804 3.969 30 20 CHED CCCCCCCN1CC[C@@H](C)[C@@H](n2ccnc2)C1 767435623 UNOXFPGBIKPXLB-CVEARBPZSA-N 263.429 3.736 30 20 CHED C=C(C)CCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 1338804383 GHHKCOGWCZHYKV-CQSZACIVSA-N 270.376 3.824 30 20 CHED C[C@@H](CNc1nc2c(cc1C#N)CCC2)C(C)(C)C 96609740 YAGIHCVWCZMVOY-NSHDSACASA-N 257.381 3.536 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 1196400892 ZKNVRSKDVFDVMY-UONOGXRCSA-N 271.364 3.506 30 20 CHED C=CCC(C)(C)c1nnc(COc2cccc(C)c2)o1 1261571688 JTZPWKXVCFMAIG-UHFFFAOYSA-N 272.348 3.811 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ncccc1C 1348499217 MOEWPKWMJRZHEJ-QGZVFWFLSA-N 266.388 3.667 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccc(F)cc1F)C(C)(C)C 1348040954 NTEAGYQKLXLUBP-LLVKDONJSA-N 281.346 3.881 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H]1CCC[C@@H](C)[C@H]1C 1267053141 PNQIAMIGAXRJKR-LALPHHSUSA-N 287.359 3.548 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)Cc1ccoc1)c1cccs1 1345146747 HHPLBNRPLOPKLO-WFASDCNBSA-N 289.356 3.718 30 20 CHED C[C@H](C(=O)O[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 1343385125 IURLIUJILWNQAJ-MISXGVKJSA-N 277.751 3.679 30 20 CHED COc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1C 1435509010 USYXDZKVZKEILR-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED Cc1occc1C(=O)Nc1cc2ccccc2cc1C#N 1528323040 SUPBAPHQUKITAC-UHFFFAOYSA-N 276.295 3.865 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc(C(=O)O)cc1Cl 1608215202 MOTMWFUGULBPNX-UHFFFAOYSA-N 298.685 3.574 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@H](C)C[C@@H]2C)cc1C#N 1530244714 AYYYBCYAMPKDQF-DETPVDSQSA-N 271.360 3.848 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H](C)C(C)(C)C)c1C#N 1611900422 AZDDTZOVVARITL-JTQLQIEISA-N 265.788 3.786 30 20 CHED N#CC1(CSCc2ccc3oc(C(=O)O)cc3c2)CC1 1601058463 UIKPPMYBKADRMP-UHFFFAOYSA-N 287.340 3.668 30 20 CHED CCCC[C@H](SCC#Cc1ccc(F)cc1)C(=O)O 1605251074 PHIRANDVPXJHAS-AWEZNQCLSA-N 280.364 3.554 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)Nc1sccc1C#N 1476828352 LLTWRVWOYLVQEB-GFCCVEGCSA-N 299.399 3.763 30 20 CHED CCCOc1ccc(NC(=O)c2ccccc2CC#N)cc1 1566427688 ZGGWEFQSGJVWCR-UHFFFAOYSA-N 294.354 3.794 30 20 CHED COc1ccc2c(c1)N(C[C@H](C)CCC#N)CCCC2 1560897870 PWKYQODAWDTWEZ-CQSZACIVSA-N 272.392 3.778 30 20 CHED C=C(Cl)CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1645970381 KLCCZUKYAOEKJU-DLBZAZTESA-N 287.790 3.803 30 20 CHED CC(C)CN(Cc1ccncc1F)c1ccc(C#N)cc1 1644855514 DTKDGKULVFGVGW-UHFFFAOYSA-N 283.350 3.755 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(C(C)=O)cc1 1643405712 DZPBSEIXJXJHMO-UHFFFAOYSA-N 295.338 3.739 30 20 CHED C[C@@H](c1ccccc1)n1cc(Nc2cccc(C#N)n2)cn1 1655598362 LRFYTBMIIKVCOX-ZDUSSCGKSA-N 289.342 3.503 30 20 CHED CCCc1cccc(CNc2n[nH]c(C3CC3)c2C#N)c1 1657504704 WNKAWKUFQGBALI-UHFFFAOYSA-N 280.375 3.723 30 20 CHED Cc1cc(N(C)C2CCC(C)(C)CC2)ncc1C#N 1650844622 KFBKVFWDGQUTOT-UHFFFAOYSA-N 257.381 3.667 30 20 CHED N#Cc1ccc(COc2cc(F)cc(Cl)c2)s1 1652126980 SOMJIWAMTDGVSA-UHFFFAOYSA-N 267.712 3.991 30 20 CHED CCOc1ccccc1CNc1nc(C#N)c(Cl)s1 1650661476 QVSIWQGAHDGKSH-UHFFFAOYSA-N 293.779 3.679 30 20 CHED Cc1ccc(CNC(=O)Nc2cccc(CC#N)c2)cc1F 1670084343 CWCGBQKBDGGMFU-UHFFFAOYSA-N 297.333 3.522 30 20 CHED CC(C)[C@H]1CCC(=NNc2ccc(CC(=O)O)cc2)C1 1776085098 MEXGQXRYPALJOD-ZDUSSCGKSA-N 274.364 3.538 30 20 CHED CC(=NNc1ccc(F)c(F)c1)c1csc(C(=O)O)c1 1776106498 ILQGRNWRHRCXRS-UHFFFAOYSA-N 296.298 3.561 30 20 CHED O=C(O)c1ccc(/C=C2\CCc3c(F)cccc3C2=O)cc1 1777673493 SGTYYZYFWWRXOG-JLHYYAGUSA-N 296.297 3.736 30 20 CHED O=C(O)c1cccc(C=NNc2ccc(Cl)cc2F)c1 1776106791 VRSIJAZFYJVCKC-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CC(C)CC(=NNc1ccccc1C(=O)O)c1ccncc1 1776030868 ABYWPLSLGXHSPM-UHFFFAOYSA-N 297.358 3.642 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CC23CCC(CC2)C3(C)C)C1 1776158752 WQXPUAJSCIAFJB-GMXGEUMGSA-N 291.435 3.556 30 20 CHED CC(CC1(C(=O)O)CCC1)=NN1CCC(C(C)(C)C)CC1 1776057931 QWBKTVBCQOIDFO-UHFFFAOYSA-N 294.439 3.765 30 20 CHED C=CCc1ccccc1CNCC1(CC(=O)O)CCCC1 1776188933 XZSWAOWDZBRYKA-UHFFFAOYSA-N 287.403 3.540 30 20 CHED Cc1ccc(C)c(/C=C2\Cc3c(O)cccc3C2=O)c1 11336012 ZUVXCMTUATXLHY-NTEUORMPSA-N 264.324 3.831 30 20 CHED C[C@@H]1C[C@H]1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 14905836 RERQZHVOVVYLGV-SJKOYZFVSA-N 277.323 3.787 30 20 CHED N#Cc1cccc(NC(=O)CCSCc2ccccc2)c1 19847556 OSIVLMBYMMKHEW-UHFFFAOYSA-N 296.395 3.820 30 20 CHED C=C(C)CNC(=O)c1ccc(-c2nc3ccccc3s2)o1 161014738 NNQVVJZPRNLSMV-UHFFFAOYSA-N 298.367 3.862 30 20 CHED C#Cc1cccc(NC(=O)NCCCSCC(C)C)c1 160271990 AAQXRDMILUOFHK-UHFFFAOYSA-N 290.432 3.569 30 20 CHED CCN(Cc1cccc(F)c1)C(=O)c1ccc(C#N)cc1C 160402715 UJWVYCXMMYOAHH-UHFFFAOYSA-N 296.345 3.668 30 20 CHED Cc1ccc(NCc2ccc(C#N)o2)cc1-c1ncco1 152110732 HQKAKIFEZGJTEE-UHFFFAOYSA-N 279.299 3.727 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F 154012455 KBXXIFMLKKWHBW-JTQLQIEISA-N 286.297 3.594 30 20 CHED C#CCCCCNC(=O)c1cc(Cl)ccc1SCC 156311335 FOMZUHQVFIXSMI-UHFFFAOYSA-N 295.835 3.985 30 20 CHED C#CCCCCNC(=O)C[C@@H](c1ccccc1)C(F)(F)F 156545519 CVAKUSSNAPMAFR-AWEZNQCLSA-N 297.320 3.642 30 20 CHED C#Cc1ccc(CNCCSc2ccccc2)cc1 809602272 UXMKMHWVAOBKFE-UHFFFAOYSA-N 267.397 3.550 30 20 CHED CCC(CC)(CC)CNC(=O)C1(C#N)CCCCC1 150908665 AYFFFEKBKUPQFW-UHFFFAOYSA-N 264.413 3.793 30 20 CHED CCN(Cc1ccc(OC(F)(F)F)cc1)C[C@@H](C)C#N 42449609 IUWZCICSBMCKCI-NSHDSACASA-N 286.297 3.567 30 20 CHED CN(CC1CCCCC1)C(=O)Nc1cccc(C#N)c1 43329660 GMFNSURPELOXBK-UHFFFAOYSA-N 271.364 3.602 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)C1(C#N)CCCCC1 44385263 ZEUUHVCPXOHOBR-CQSZACIVSA-N 264.413 3.791 30 20 CHED Cc1cnc(CNc2cccc(OCCCC#N)c2)s1 179953697 RSFRJCZJBNBKAR-UHFFFAOYSA-N 287.388 3.746 30 20 CHED Cc1cc(OCCc2scnc2C)c(C)c(C)c1C#N 312228088 CWNGPPRBESULLE-UHFFFAOYSA-N 286.400 3.870 30 20 CHED N#Cc1ccc(CNc2ccnc(C(F)(F)F)c2)cc1 312830713 JSYNHWUIQLMCKP-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C=CC[C@H](CC)NCc1cccc(O)c1Br 315438950 OVRXNNMPXPOFCZ-NSHDSACASA-N 284.197 3.599 30 20 CHED CC1(CNc2nc(C(F)(F)F)ccc2C#N)CCCC1 78836044 YEOUVWYHIVAYCO-UHFFFAOYSA-N 283.297 3.964 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nnc(C(C)C)o1 348239817 PORHDEPJRRWFMP-UHFFFAOYSA-N 285.391 3.771 30 20 CHED C=C[C@@H](Sc1ccc(Cl)cc1Cl)C(=O)O 322749701 CZTIKBGPPFVFGN-MRVPVSSYSA-N 263.145 3.725 30 20 CHED C[C@@H]1CC(Nc2ccc(OCC#N)cc2)C[C@@H](C)C1 84462817 NMEKBMYSLXPIEG-STQMWFEESA-N 258.365 3.826 30 20 CHED N#Cc1cccc(CN[C@H]2CCC23CCCC3)c1F 358999506 ILUPKHOPWBBNJQ-AWEZNQCLSA-N 258.340 3.510 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cccc(Br)c1 709970276 GBSUGEJJYBRFSP-LLVKDONJSA-N 295.224 3.867 30 20 CHED Brc1cc(C=NNCc2ccccc2)cs1 914555090 JOFYOJIRKLOFQN-UHFFFAOYSA-N 295.205 3.634 30 20 CHED CC1=C[C@@H](C)C[C@H](CNCCc2cccc(C#N)c2)C1 569175482 NBAHVWQNQNJRNG-KDOFPFPSSA-N 268.404 3.683 30 20 CHED CC[C@@H]1CCCCN1c1c(F)cc(C#N)cc1F 133948068 UYQMNHUWYQEJJA-LLVKDONJSA-N 250.292 3.605 30 20 CHED Cc1ccc(C#N)cc1NCC(=O)Nc1ccccc1Cl 50212782 FWMTWSGHVWQWJY-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C=CCCCSc1nnc(-c2ccc(C)cc2)n1C 117546573 GNUSQNBPFADFEL-UHFFFAOYSA-N 273.405 3.849 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 173303105 SPCRESZVAUPERZ-GUYCJALGSA-N 291.354 3.783 30 20 CHED C#Cc1cccc(N(C)C(=O)CCSc2ccccc2)c1 103032657 RKOAODWQEWWBED-UHFFFAOYSA-N 295.407 3.813 30 20 CHED CCCCCCCCCN1CC[C@](C)(C(=O)O)C1 109204480 VCORVYAVTKINRS-HNNXBMFYSA-N 255.402 3.534 30 20 CHED Cc1c(CNc2ccc(F)c(C#N)c2)cccc1[N+](=O)[O-] 51636606 IIGZLRNVOZSNPN-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)cs2)C1 177044447 DZFILANMNDDISU-OLZOCXBDSA-N 276.405 3.564 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccc(Cl)nc1 179413450 YSJXCQGWZCHZKH-HNQUOIGGSA-N 295.672 3.615 30 20 CHED CC/C=C(\C)C(=O)N(CCC)Cc1ccc(C#N)cc1 58225945 LNHVPGBMSLNEMJ-MKMNVTDBSA-N 270.376 3.653 30 20 CHED C=CC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 110368691 QXNPAZCZYBFFEM-UHFFFAOYSA-N 280.371 3.516 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2cn(C)nc2CC)cc1 179733154 WNJLMYVILXKFJU-DHZHZOJOSA-N 298.386 3.667 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1oc(C)cc1C 175401413 XPIBAFMSDFYBPP-UHFFFAOYSA-N 297.358 3.842 30 20 CHED Cc1ccccc1OCCCNCC(C)(C)CCC#N 174359000 LCWFSHHJYCMHRP-UHFFFAOYSA-N 274.408 3.684 30 20 CHED CCOC(=O)C[C@H](C)S[C@@H](C#N)C1CCCCC1 115198062 AYRZIZDLXZSKNX-AAEUAGOBSA-N 269.410 3.534 30 20 CHED CC[C@@](C)(NCCCC(C)(C)C#N)c1nc(C)cs1 174881355 GHEBMQXMWSCTHP-OAHLLOKOSA-N 279.453 3.996 30 20 CHED C[C@H](C#N)CNc1ncnc2sc(-c3ccccc3)cc12 301426274 HIHZCASJBXKXLT-LLVKDONJSA-N 294.383 3.930 30 20 CHED N#CCc1cccc(C(=O)N2CCCC3(CCCCC3)C2)c1 171889965 OEUDGUSIIAKHKX-UHFFFAOYSA-N 296.414 3.939 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 116806785 IACGJRTZTXGJIM-PIGZYNQJSA-N 299.349 3.509 30 20 CHED Cc1ccc(O[C@@H](C)CNCC(C)(C)CCC#N)cc1 174593801 URCYINOHRLEUOD-HNNXBMFYSA-N 274.408 3.682 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)Cc2cccc3ccccc23)C1 179949623 AGPVFGVBBOYKHN-XJKSGUPXSA-N 279.339 3.618 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1ccc(F)cc1 171349401 IRDBMCCZNYBSPK-VMPITWQZSA-N 261.683 3.770 30 20 CHED N#Cc1ccc(Nc2cccc(Oc3ccccc3)c2)nn1 301929006 NOPJOVVESVEWPL-UHFFFAOYSA-N 288.310 3.884 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(C(F)(F)F)cc1 189840117 KLZMUEPLKPDQNB-OAHLLOKOSA-N 299.336 3.966 30 20 CHED Fc1ccc(CO/N=C2/CCCOCC2)c(Cl)c1 180470536 GGWAZPCITHZVAJ-VBKFSLOCSA-N 271.719 3.552 30 20 CHED N#Cc1cc2c(nc1NCCC[C@@H]1CCCCO1)CCCC2 302214339 IJUVMNMKPBGAKT-INIZCTEOSA-N 299.418 3.593 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C#N)C1CCCCC1 172032638 WNBOBIBWHMTDBC-MRXNPFEDSA-N 283.375 3.841 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H]2CCCC(C)(C)C2)n1 179376093 GVFDUSIMMQWYFO-NEPJUHHUSA-N 276.405 3.844 30 20 CHED N#CCCCC[S@@](=O)Cc1cc(Cl)ccc1Cl 172843665 DHIRKSGVXXWIFB-QGZVFWFLSA-N 290.215 3.936 30 20 CHED CC(C)(C)OC(=O)CN(CCCCC#N)c1ccccc1 123793819 CFSIIMSUIDIMEZ-UHFFFAOYSA-N 288.391 3.529 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 128486428 KQEPJHYYYKYGBL-BBRMVZONSA-N 288.391 3.506 30 20 CHED C=C[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 122253958 YTBISLDSCVPCAH-HNNXBMFYSA-N 283.346 3.802 30 20 CHED C#CCCNc1cc(Br)c(F)cc1Cl 306995612 QSQJXCWFAPDYMG-UHFFFAOYSA-N 276.536 3.677 30 20 CHED Cc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)oc1C 129444877 JRRKEWUTIVWLAV-LBPRGKRZSA-N 269.300 3.686 30 20 CHED CC(C)Sc1ccccc1NC(=O)c1ccc(C#N)cn1 122063750 FCMZHCMLONJGDM-UHFFFAOYSA-N 297.383 3.706 30 20 CHED CCN(CCc1cccs1)Cc1ccc(C#N)c(F)c1 483589444 FQLZMMYMYKXAAL-UHFFFAOYSA-N 288.391 3.823 30 20 CHED N#CCCN(Cc1ccco1)Cc1ccc(Cl)cc1C#N 187112246 XBFUQQMEMIEHRI-UHFFFAOYSA-N 299.761 3.721 30 20 CHED C=CCC[C@@H](C(=O)NC1CCCC1)c1ccccc1 186003716 JHAPSDPUPYVPBT-MRXNPFEDSA-N 257.377 3.795 30 20 CHED N#Cc1cccc(OCCOc2cccc3ncccc23)c1 181578792 PBNHIPFWUULGLD-UHFFFAOYSA-N 290.322 3.564 30 20 CHED C=CCCCCCN1CC[C@@H](CN2CCCCC2)C1 488393694 DUGONQMPPZIATG-KRWDZBQOSA-N 264.457 3.541 30 20 CHED COc1cccc([C@@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])c1 315388023 KTNLDZPXHWOCTF-LLVKDONJSA-N 297.314 3.648 30 20 CHED C[C@H](O)c1ccc(CNc2cc(Cl)ccc2C#N)cc1 180430317 DZLDBINLQJHWQG-NSHDSACASA-N 286.762 3.877 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H](C)c1ncc(C)s1 183852072 YKLPLQQMDZVNSB-NEPJUHHUSA-N 295.452 3.599 30 20 CHED CC[C@H]1[C@H](C)CCN1C(=O)Nc1ccc(C#N)c(Cl)c1 185806172 GPZNPLZRQZUGNR-YGRLFVJLSA-N 291.782 3.864 30 20 CHED CCc1ccc(-c2ccc(C(=O)N(C)C[C@@H](C)C#N)o2)cc1 79704425 DBBKHLOOWXRYGK-ZDUSSCGKSA-N 296.370 3.741 30 20 CHED C[C@H](CN[C@H](C)c1cccc(C#N)c1)Oc1ccccc1F 181829276 JAJOUXULVFSIIW-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED CCOc1ccc(CN(C)CC(C)(C)CCC#N)cc1 505660233 LGDKROBZGVRESP-UHFFFAOYSA-N 274.408 3.847 30 20 CHED CCCOc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1OC 411459899 ZUYWGNKOCJJDLV-UONOGXRCSA-N 290.407 3.827 30 20 CHED CCc1noc([C@@H](C)SCc2ccc(F)cc2C#N)n1 76326039 ULCMERUDPLYHHM-SECBINFHSA-N 291.351 3.637 30 20 CHED Cc1cccc(-n2ccnc2SCCCC#N)c1C 73506108 GHMSCURHVRGLMK-UHFFFAOYSA-N 271.389 3.885 30 20 CHED COc1cc(C#N)ccc1CSC[C@@H](C)C(F)(F)F 500832780 YCVIUZVDQFHSQC-SECBINFHSA-N 289.322 3.998 30 20 CHED CCCN(CC#N)Cc1cc(-c2ccccc2Cl)on1 419205513 LGSOBKJDYPPYMA-UHFFFAOYSA-N 289.766 3.731 30 20 CHED C=C(C)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 180580524 YQPNNELPLVIEPW-LBPRGKRZSA-N 261.262 3.985 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(c2ncc(C#N)cc2F)C1 413179085 YRQDETHRICBRRT-BZNIZROVSA-N 299.324 3.819 30 20 CHED Cc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1 181123609 MFYMWLPSRQIWOK-CQSZACIVSA-N 266.344 3.898 30 20 CHED COc1ccc([C@H](C)CN(CC#N)C2CCCC2)cc1 180361048 KGGGJPIZIOXBLO-CQSZACIVSA-N 272.392 3.567 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc2n[nH]cc2c1 507246380 IPTOMYUQVWTNQX-OLZOCXBDSA-N 290.370 3.846 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 136859281 HEYYOPGVJBNJJO-OAHLLOKOSA-N 296.395 3.873 30 20 CHED N#Cc1ccc(F)c(CNc2ccc(C(F)(F)F)cn2)c1 78474727 RTIPDGPLYGAUNV-UHFFFAOYSA-N 295.239 3.723 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCOc1ccccc1 182618613 PVJVQFUBVNNEEG-OAHLLOKOSA-N 275.392 3.707 30 20 CHED C=CCNC(=O)Nc1cc(Cl)ccc1N1CCCCC1 48476968 CVSMMQVLHQLRMM-UHFFFAOYSA-N 293.798 3.638 30 20 CHED C=CCCC(=O)Nc1ccc(F)cc1OCC1CC1 132786944 VGEITTZHGYFTRX-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C[C@H](NC(=O)CC#N)c1ccc(Oc2ccccc2)c(F)c1 132256903 CBHVSQRQEWYDNW-LBPRGKRZSA-N 298.317 3.709 30 20 CHED C=CCOCCCC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 416287764 KGQVVLRKOYPFAM-CABCVRRESA-N 281.440 3.642 30 20 CHED CC[C@@H]1C[C@@H](C(O)=Nc2cnc3ccccc3c2)CC(O)=N1 329723551 CUCHPHQUMINGNY-CHWSQXEVSA-N 297.358 3.968 30 20 CHED O/C(=N/C1CCC2(CC1)CC2)[C@@H]1CCCc2n[nH]cc21 329975644 ZUUSFOGLSVARNQ-GFCCVEGCSA-N 273.380 3.509 30 20 CHED Cn1cnnc1-c1cccc(N=C(O)[C@H]2CC23CCCC3)c1 329994156 LYSJDBIXLXQWHF-CQSZACIVSA-N 296.374 3.650 30 20 CHED CCN(Cc1ccsc1C(F)(F)F)C[C@H](C)C#N 529524457 BCRKZYSTZIWZIJ-SECBINFHSA-N 276.327 3.748 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCCN(c2ccccc2F)C1 134453173 CWSFBRXLNSANJE-RVZJCZPVSA-N 298.361 3.619 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)C(C)(C)C1 426156427 IQOGNYIPNVABET-JTQLQIEISA-N 291.782 3.864 30 20 CHED CSCCCNc1ccc(C#N)c(C(F)(F)F)c1 83412570 DSFBLIVNONXOHP-UHFFFAOYSA-N 274.311 3.742 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CNCc1ccc(C#N)s1 421354354 WEHCVSIXUSDKGR-DOMZBBRYSA-N 260.406 3.702 30 20 CHED O=C1/C(=C\c2ccc(O)cc2)CCOc2ccc(F)cc21 192496729 FGRDKFKWTMNWRD-XFXZXTDPSA-N 284.286 3.580 30 20 CHED CC(C)(C)c1ccc([C@H]2CCCN2C(=O)NCCC#N)cc1 426429330 XKYODGIWGFODOD-MRXNPFEDSA-N 299.418 3.744 30 20 CHED C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C)CC1 337772138 IMGVTSGQYHNHTR-MRXNPFEDSA-N 296.418 3.513 30 20 CHED N#C[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 87759963 IHIGJUZMAWCHAP-JTQLQIEISA-N 269.175 3.729 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](OC)c1cccc(Cl)c1 424689446 DRXHQQUYNDAUEV-CQSZACIVSA-N 295.810 3.746 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2cccnc2C#N)CC1 515931644 OPTTVCKAXKUUGR-LJQANCHMSA-N 291.398 3.901 30 20 CHED CC(C)n1cccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425138558 YVSARBPKZJILSQ-AWEZNQCLSA-N 295.386 3.774 30 20 CHED CC(C)C1CCC(/N=C(/O)C(=O)c2ccc(O)cc2)CC1 331224705 DHPAUHZYIDHORW-UHFFFAOYSA-N 289.375 3.746 30 20 CHED N#Cc1ccc(CN2CCCC3(CCCCC3)CC2)nc1 515069457 XXYXJRCPWNAZFH-UHFFFAOYSA-N 283.419 3.890 30 20 CHED C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 335787278 CKANEDOVRCTPRB-BETUJISGSA-N 270.376 3.501 30 20 CHED CC(C)C(C)(C)C/N=C(/O)N[C@@H]1CCc2c(O)cccc21 331315720 DXDROVUXMWLKOM-CQSZACIVSA-N 290.407 3.565 30 20 CHED N#Cc1ccc(CCC(=O)N2CC[C@H](C3CCCC3)C2)cc1 421649247 DAOBENXWDRBGIE-SFHVURJKSA-N 296.414 3.530 30 20 CHED C=CC[C@@H](NCc1cccc(Oc2ccccc2)c1)C(=O)O 426821871 XLLJEYHJYWYNOB-QGZVFWFLSA-N 297.354 3.598 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)s1)CO2 96993451 WXTLRQRKEBEHQJ-XFFZJAGNSA-N 286.352 3.724 30 20 CHED C=CCSCCN[C@@H](C)c1cnc2ccsc2c1 180455508 GWQQQDGSQSYHRP-NSHDSACASA-N 278.446 3.866 30 20 CHED CC1(C)C(CNc2c(C#N)nnc3ccccc23)C1(C)C 92817331 IHEVETLHGZPDNA-UHFFFAOYSA-N 280.375 3.596 30 20 CHED Cn1cc(C#N)cc1-c1nc(C2CCC(C)(C)CC2)no1 236065197 CMECMYHSKVASOH-UHFFFAOYSA-N 284.363 3.631 30 20 CHED N#C[C@@H]1CC[C@H](NCc2csc3ccccc23)C1 335285277 UFIBELWEVNYEHJ-YPMHNXCESA-N 256.374 3.683 30 20 CHED COc1cccc(Cl)c1C/N=C(/O)N[C@@H]1CC[C@H](C)C1 331077575 JJKAAVWATUJLDV-WDEREUQCSA-N 296.798 3.541 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@@H]1C 431004993 JLYRTIAUKQLDCD-FMKPAKJESA-N 299.418 3.946 30 20 CHED N#Cc1ccc2nc(NCc3ccsc3)ccc2c1 92890765 LPVLAAWCQXZHKN-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCc2ccc(Cl)cc21 435674128 PUAMKNDVHNOEPT-JQFCIGGWSA-N 291.822 3.898 30 20 CHED C[C@H](CNc1nc(Cl)c(C#N)s1)C(C)(C)C 235488049 CCBZAQOACUQOGC-SSDOTTSWSA-N 257.790 3.762 30 20 CHED C=CCCC[C@@H](C)N1CCC(n2ccc(C)n2)CC1 434508894 FOEBWBKGOZSEFW-OAHLLOKOSA-N 261.413 3.573 30 20 CHED CC(=O)c1ccc(C#N)cc1N(C)Cc1ccc(F)c(C)c1 436429974 FVSKMAFMDZRYKA-UHFFFAOYSA-N 296.345 3.845 30 20 CHED C=CCN(Cc1ccc2ccccc2c1)[C@H](C)COC 621316679 SXGCUGMHEBLLJH-OAHLLOKOSA-N 269.388 3.863 30 20 CHED Cc1cc(C)cc(C2=CCN(c3ncccc3C#N)CC2)c1 91982146 WYSLBPDLYDCMPH-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]1Cc1ccccc1 437835010 ONFRDPIGYKOHDA-DNVCBOLYSA-N 276.383 3.936 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 343043836 UFFAGQCYMDZKJL-GOEBONIOSA-N 281.334 3.841 30 20 CHED N#CC1(CSCc2nc(C(F)(F)F)cs2)CC1 344484427 XZQPLFXAAJSMHT-UHFFFAOYSA-N 278.324 3.699 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2ccc(C#N)cc2F)C1 525122483 HJCVALJTGHCWBG-CHWSQXEVSA-N 260.356 3.708 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(C)oc2ccccc12 435741241 IHARGHYALWFEFX-KDOFPFPSSA-N 285.387 3.812 30 20 CHED C=CCCC1(c2nc(CC3CCC(OC)CC3)no2)CC1 346931489 GYZNCKDSJOJMKB-UHFFFAOYSA-N 290.407 3.815 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c(O)c1 436698017 LFRRQTHWSIKICY-UHFFFAOYSA-N 298.317 3.779 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1nccc(C)c1C#N 343511977 NGUCBBLZTAOVMG-BLLLJJGKSA-N 299.349 3.589 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1ncc(C(C)(C)C)o1 245787029 NASAZFDKBDSFAL-VXGBXAGGSA-N 263.385 3.515 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1-c1csc(C)n1 433778650 ANQODKVCCUDJGA-UHFFFAOYSA-N 287.388 3.816 30 20 CHED Cn1nccc1/C=C\C(=O)c1ccc(-c2ccccc2)o1 255632945 DHVBDMGPOVTCGD-FPLPWBNLSA-N 278.311 3.576 30 20 CHED C[C@@H](C#N)CNCc1cccc(OCc2ccccc2)c1 183824581 MCDRZFMIVLGKKE-HNNXBMFYSA-N 280.371 3.515 30 20 CHED Cc1coc(C)c1C(=O)[C@H](C#N)c1nc2ccccc2o1 342465369 VCOFOUJPRJNCIC-NSHDSACASA-N 280.283 3.528 30 20 CHED CCCO[C@@H]1CCCN(Cc2ccc(CC#N)cc2)CC1 343525727 JOCLIHKBJUCSKM-GOSISDBHSA-N 286.419 3.534 30 20 CHED CCO[C@H](CC(=O)Nc1sc(C)c(C)c1C#N)C(C)C 348417081 CSDGSNIVGFLMKB-CYBMUJFWSA-N 294.420 3.626 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)O[C@@H]1CC[C@@H](C#N)C1 255122331 TVMMJCGHBYBVNC-YTYACIELSA-N 289.762 3.979 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)CC[C@@H](C)CC 350075686 MTDKXZUHESXSHB-LBPRGKRZSA-N 274.364 3.722 30 20 CHED C[C@H](CCC#N)CN[C@@](C)(Cc1ccccc1)C1CC1 602687498 XTEQOWCJICXQSU-QAPCUYQASA-N 270.420 3.927 30 20 CHED C[C@H](CCC#N)CNCc1cc(Br)cs1 602516383 KDIQXYLTIZBQGQ-SECBINFHSA-N 287.226 3.540 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@@H](C)c1cccc(O)c1 602446685 HSLJRCNZZXOQCZ-KBPBESRZSA-N 260.381 3.715 30 20 CHED CCCCCCCCOCC(=O)N[C@@H](C)c1cccnc1 266118389 XVSLIRDCBRVIMW-HNNXBMFYSA-N 292.423 3.636 30 20 CHED CN(C)[C@H](CNc1ccc(C#N)c(Cl)c1)c1ccco1 264606628 DGWKIYQOVMANII-CQSZACIVSA-N 289.766 3.519 30 20 CHED N#Cc1ccc(SCc2nc3cccnc3s2)cc1 356188521 KXHYXUSMBVAHEB-UHFFFAOYSA-N 283.381 3.855 30 20 CHED CC1(C)CCc2c(OC[C@H](C#N)CCC#N)cccc2O1 442544462 BDSLIXYBCJJTCR-ZDUSSCGKSA-N 284.359 3.613 30 20 CHED CC(C)c1cnc(SCc2cccc(C#N)c2)n1C 267049879 OPPXULJYYXYUDG-UHFFFAOYSA-N 271.389 3.707 30 20 CHED C=CCCN[C@H](c1ccc(OC)cc1)c1ccccc1OC 533091755 IQOFLRHFRXSPPQ-LJQANCHMSA-N 297.398 3.959 30 20 CHED C=CCCCC(=O)NC[C@@]1(C)CCCc2ccccc21 539335854 OPLLXSGRWSOBRT-GOSISDBHSA-N 271.404 3.753 30 20 CHED Cc1cc(Cl)ccc1NC(=O)N1CCC[C@](C)(C#N)C1 612290594 FLBIAIDQWDLRQX-OAHLLOKOSA-N 291.782 3.806 30 20 CHED Cc1cc2occ(C(=O)N[C@H](C#N)CC(C)C)c2cc1C 613667936 JIXPKIUIISDOTD-ZDUSSCGKSA-N 284.359 3.718 30 20 CHED C=CCN(C(=O)[C@@H](C)CSCc1ccccc1)C1CC1 539036028 XMANRIYCFMGHNG-AWEZNQCLSA-N 289.444 3.733 30 20 CHED C[C@H](CCC#N)N1CCC(Cc2cccc(F)c2)CC1 351644252 JZVHYYBOSXAOIP-CQSZACIVSA-N 274.383 3.772 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccnc2ccccc12 534336871 RFEHARJEGIMQMP-UHFFFAOYSA-N 287.366 3.738 30 20 CHED Cc1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1C#N 618752350 MFSNRCAHPJLDSJ-WMZOPIPTSA-N 298.430 3.505 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1cccc(C#N)c1 611386962 XOVDAFAVAUUTDF-CYBMUJFWSA-N 255.365 3.539 30 20 CHED CC[C@@H](NC[C@@H]1Cc2ccccc21)c1ccc(C#N)cc1 618567908 IIYYXRKMBUMUFR-PKOBYXMFSA-N 276.383 3.939 30 20 CHED CC(C)(C#N)CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 611618133 WRPUCBAWEKBHAB-UHFFFAOYSA-N 291.351 3.734 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 610010323 LBCNJVXRMHIGPF-CZUORRHYSA-N 285.391 3.991 30 20 CHED C=C[C@H](S[C@@H](C)c1ccc(Cl)cc1)C(=O)OC 619689187 RISVXYPEXDYSIP-CABZTGNLSA-N 270.781 3.862 30 20 CHED CS[C@@H](C)CN[C@H]1CCCCc2cc(C#N)ccc21 360657354 NULJDDHQFYHZJJ-LRDDRELGSA-N 274.433 3.667 30 20 CHED C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCC1 610976316 ZUYOSCUHXLRGAK-YOEHRIQHSA-N 284.403 3.974 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCO[C@@H](c3cccs3)C2)C1 453424868 NAKHTILZTZOSDW-GBJTYRQASA-N 290.432 3.640 30 20 CHED CC1(C)CCCN(C(=O)Cc2cc3ccccc3o2)[C@@H]1C#N 617986286 ZSAHSGFMJFREBL-MRXNPFEDSA-N 296.370 3.516 30 20 CHED N#Cc1c(NC(=O)[C@@H]2CC23CCCC3)sc2c1CCC2 530856943 PNJKFKHNOPIDEH-LBPRGKRZSA-N 286.400 3.627 30 20 CHED Cc1cc(COc2ccc(C#N)cc2F)c(C)s1 362907787 BLTVEAORWJNWHV-UHFFFAOYSA-N 261.321 3.955 30 20 CHED C[C@H]1C[C@@H](C)CN(C[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)C1 537296356 YTZPOIFGYLDJJB-TWMKSMIVSA-N 299.462 3.575 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 452541595 MAVPQPVOSHVVMQ-LSDHHAIUSA-N 284.403 3.913 30 20 CHED N#CCCCCN1CCC(Cc2cc(F)cc(F)c2)CC1 451917390 CCPJITDILRGYKQ-UHFFFAOYSA-N 292.373 3.913 30 20 CHED C=CCC1(C(=O)NCc2occc2C)CCCCC1 452104420 MDLLVPMDRNDOFG-UHFFFAOYSA-N 261.365 3.731 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 459103725 URCZWFAJIVHRDZ-IAGOWNOFSA-N 286.419 3.930 30 20 CHED C=CCC1(C(=O)N(C)[C@H]2C[C@H](OCC)C23CCC3)CCC1 361933499 AXXGWEXLGCCJII-GJZGRUSLSA-N 291.435 3.539 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(CCCCC#N)C2)cc1 278688696 PMHPHRWWIQXWDJ-WBVHZDCISA-N 256.393 3.867 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])cc1F 618694628 XUIRCJZLORGEMG-HNNXBMFYSA-N 297.289 3.705 30 20 CHED C=CCC[C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1 276987006 HZMLGBXPPQXPGR-AWEZNQCLSA-N 279.330 3.650 30 20 CHED COc1cc(Cl)c(CN(C)C[C@@H](C)C#N)cc1Cl 271139854 ULEGZJJFFMBFSW-VIFPVBQESA-N 287.190 3.593 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C 457777015 BLDBKEDZFWVWKO-BORJPKMPSA-N 293.451 3.546 30 20 CHED CN(CCC#N)Cc1ccc(-c2ccsc2)cc1 277670721 JUVALUFKKABHEQ-UHFFFAOYSA-N 256.374 3.761 30 20 CHED N#Cc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1F 362283860 DHKSHWKGOFXKPM-UHFFFAOYSA-N 294.329 3.758 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(Cl)s2)no1)OCC 277908858 MEUCSRZVPHCCGT-SECBINFHSA-N 298.795 3.975 30 20 CHED C=CCCc1noc(C[C@@H](C)c2ccc(F)cc2)n1 453246967 MJHDDMMWXNSVNX-LLVKDONJSA-N 260.312 3.674 30 20 CHED C=CCCCCNC(=O)CCc1ccc2ccccc2c1O 450694798 PGLMPPCIJGLKEV-UHFFFAOYSA-N 297.398 3.951 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(c2)CC[C@@H]3N(C)C)CC1 456322818 PAFRVMINNSLYHK-KRWDZBQOSA-N 298.430 3.920 30 20 CHED C=CCC1(C(=O)Nc2nccn2Cc2ccccc2)CCC1 276879742 RIKVOKRFCVXCTN-UHFFFAOYSA-N 295.386 3.616 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)cc1)C1CC1 271436153 NMTIUVJTYIDUQI-UHFFFAOYSA-N 250.729 3.522 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1cccc(C)c1 455304782 CZQOIVHAFJXFSD-INIZCTEOSA-N 272.392 3.808 30 20 CHED CC[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1OC 453284655 BDEOBTKSMNDRLA-OFQRWUPVSA-N 272.392 3.818 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](COc2ccccc2)C1 272554629 MTAWUOHYSZVYKO-MRXNPFEDSA-N 299.414 3.682 30 20 CHED N#CCc1cccc(-c2nc(Cc3ccccc3F)no2)c1 544930307 KYESBEURPXUTEF-UHFFFAOYSA-N 293.301 3.533 30 20 CHED C[C@@H](NC(=O)N1CC[C@H](C(C)(C)C)C1)c1ccc(C#N)cc1 541345783 YGMVJHOGDLOBEM-CJNGLKHVSA-N 299.418 3.697 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)CCCC1 450447206 UHUMRBZSQNNJLZ-HOTGVXAUSA-N 293.451 3.833 30 20 CHED CN(Cc1cccc2ccccc12)C(=O)CC(C)(C)C#N 278377122 HGQPWGOLCTZQRX-UHFFFAOYSA-N 280.371 3.738 30 20 CHED N#C[C@@]1(C(=O)N2CCCC3(CCCC3)C2)CC12CCCC2 451000804 IBBZSJAWIYGFTP-GOSISDBHSA-N 286.419 3.643 30 20 CHED Cc1ccc(C)c(OC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 278761278 XVOARCDFFCCVRN-SJORKVTESA-N 298.430 3.839 30 20 CHED COc1ccc(CNCCCC#N)cc1OCCC(C)C 273069066 NZYANFOUGDIQOZ-UHFFFAOYSA-N 290.407 3.513 30 20 CHED C=CCN(C(=O)C1(c2cccc(Cl)c2)CC1)C1CC1 272093981 JZNMXESYVRKBFQ-UHFFFAOYSA-N 275.779 3.549 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C1CCC2(CC1)CC2 622881107 QXCZZRYPGOLQQH-UHFFFAOYSA-N 296.370 3.670 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(C2CCC2)c1 463858208 VAFXKFAFAIVJLF-UHFFFAOYSA-N 258.365 3.994 30 20 CHED CC[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C(C)(C)C 462063675 YDHJFKJCVKOLQJ-DOMZBBRYSA-N 272.392 3.603 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)c2cc(Cl)ccc2O1 464771284 CSZQQFFYKVJRJI-GFCCVEGCSA-N 298.773 3.999 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CC(c2ccccc2)C1 280720975 FSVNBTAMWHOICL-CPFNUKBASA-N 271.404 3.503 30 20 CHED C=CC(C)(C)CCN[C@H](c1ccccc1)c1cncnc1 624037178 PEESLAHWFRAUKB-QGZVFWFLSA-N 281.403 3.758 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccc(C)s1 281498181 WLTIAGXGBFHYIQ-GFCCVEGCSA-N 266.410 3.553 30 20 CHED C=C(C)CCNC(=O)C1(c2cc(F)cc(F)c2)CCCC1 627622145 YRVCTORLUOIWEW-UHFFFAOYSA-N 293.357 3.859 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2cccc(Cl)c2)no1 285363954 NPZSMJJOTMMBGK-AWEZNQCLSA-N 275.739 3.505 30 20 CHED N#CCCCCN1CC[C@@](F)(c2cccc(Cl)c2)C1 374628253 QYOQJJYUSNPNBD-HNNXBMFYSA-N 280.774 3.904 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 464399924 SYGJQRNLINRLAH-VDDIYKPWSA-N 297.185 3.720 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 465290150 OMSRVWYISCWEAY-KBPBESRZSA-N 274.408 3.617 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(C)c(OC)cc1Cl 289059901 YJOZQAXQQSQGSW-UHFFFAOYSA-N 294.782 3.863 30 20 CHED C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CC 460197739 QJFCUVLZQLTKNV-UHFFFAOYSA-N 298.434 3.788 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc(-c2ccccc2)cs1 285131563 WHFVFWUDCAOMKF-OAHLLOKOSA-N 285.372 3.688 30 20 CHED C=CCC1(c2nc([C@@H](C)C(=O)OC(C)(C)C)no2)CCC1 289056883 IBHXXGPIGCDBCV-LLVKDONJSA-N 292.379 3.513 30 20 CHED C=CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 552867619 HWEQQIAUNUOXLG-XYJFISCASA-N 283.415 3.995 30 20 CHED C[C@H]1C[C@@H](CCNC(=O)C(C)(C)C#N)CC(C)(C)C1 470180504 ODHXSPPJRMAUOM-QWHCGFSZSA-N 264.413 3.505 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCOc3ccccc32)n1 551497434 YRVBFCSUBBOLEW-CYBMUJFWSA-N 284.359 3.838 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CC[C@H]2C2CC2)c1 806145727 FWHDTZYGHKHVKI-BPQIPLTHSA-N 284.403 3.646 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)C(=O)[C@](C)(C#N)CC 290060145 JIJCTJCQWCDPDY-WBVHZDCISA-N 288.391 3.545 30 20 CHED C=CCCCCNC(=O)Nc1cccc2ccn(C)c12 471914810 KSIUEZNNGYGIGT-UHFFFAOYSA-N 271.364 3.656 30 20 CHED C=CCCCCn1ccnc1C(=O)c1cccs1 561243316 QBFVIRCOJHTJIQ-UHFFFAOYSA-N 260.362 3.532 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccsc1 807216979 NOCSVPJRAGXMKW-AWEZNQCLSA-N 298.411 3.654 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(Cl)cn1 562261957 VDYUXBAOKGUOLV-UHFFFAOYSA-N 279.815 3.887 30 20 CHED C#CCCCCN[C@H](C)c1cc(Cl)cc(C)c1O 808706362 IDXTVOIYVKEKAS-GFCCVEGCSA-N 265.784 3.808 30 20 CHED C=CCCCCOc1c(OC)cc(C(C)=O)cc1OC 647164154 IYMJKPNUQQPHHN-UHFFFAOYSA-N 278.348 3.642 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)Sc2ccccc2C#N)c1 564561990 OXAIPJQWIDJJHR-CYBMUJFWSA-N 296.395 3.986 30 20 CHED C#Cc1ccc(CNc2ccc(-c3csnn3)cc2)cc1 809599468 ZLWBWDXCLWKSBB-UHFFFAOYSA-N 291.379 3.799 30 20 CHED C#C[C@H](NC(=O)[C@H](C)Cc1ccccc1Cl)C(C)(C)C 807882592 UREWBIRJDXWFDX-DOMZBBRYSA-N 291.822 3.683 30 20 CHED C#CCC1(c2nc(-c3ccc(O)c(C)c3)no2)CCCCC1 809471522 KKNLEOFAIFYZCW-UHFFFAOYSA-N 296.370 3.976 30 20 CHED C=CCN(Cc1cc(O)cc(F)c1)Cc1ccccc1F 473142783 UHBHUWBSAKHHEN-UHFFFAOYSA-N 289.325 3.859 30 20 CHED C=CCCCCCN(C)c1nc(Cl)c(C#N)s1 804489509 KFXPDFAOPIXINC-UHFFFAOYSA-N 269.801 3.851 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@H]2C=CCC2)CCCC1(C)C 470288630 UBUAFTJNKFFILN-GJZGRUSLSA-N 261.409 3.936 30 20 CHED C=CCCCSCC(=O)N1CCC[C@H]2CCCC[C@@H]21 477007110 UTXLETLHQTVDGX-CABCVRRESA-N 281.465 3.867 30 20 CHED Cc1cc(NC(=O)N2CC(C)(C#N)C2)c2ccccc2c1 297465608 RKYRNLCIRYDVQD-UHFFFAOYSA-N 279.343 3.526 30 20 CHED CCN(CC)CCSCc1ccc(Cl)cc1C#N 479102436 SLHGYFDNVLPGQO-UHFFFAOYSA-N 282.840 3.787 30 20 CHED C[C@@H](SCc1ccc(C#N)s1)C(=O)OC(C)(C)C 566468623 AUEXPLNVHOMJFS-SECBINFHSA-N 283.418 3.583 30 20 CHED CC(=O)c1ccc(F)cc1OCc1ccc(CC#N)cc1 399019955 GQCCDYYJJWJKKA-UHFFFAOYSA-N 283.302 3.673 30 20 CHED CC(=NOCc1ccc(F)cc1)c1cc(F)c(N)c(F)c1 814903773 ZSWRWTJXTPGKRK-UHFFFAOYSA-N 294.276 3.627 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@H](C)[C@H](C)C1CCCCC1 560163396 RLYZNYYDQPGPQZ-UONOGXRCSA-N 299.418 3.596 30 20 CHED N#Cc1c(NC(=O)[C@@]23CCC[C@H]2C3)sc2c1CCCC2 567606776 SAMBJSWIVSPOMP-MGPLVRAMSA-N 286.400 3.627 30 20 CHED CC[C@@H](C)CON=C(C)Cc1ccc(OC)c(OC)c1C 814939446 QXCZZNUCDICJMT-GFCCVEGCSA-N 293.407 3.993 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2cccc3[nH]ccc23)no1 579697802 YJCNHVWTDLFZFC-QGZVFWFLSA-N 297.358 3.698 30 20 CHED Cc1cc(C=NOC/C=C/Cl)c(C)n1Cc1ccco1 811670844 FZQCAHBCZXGZNM-QQPYHADESA-N 292.766 3.849 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)c1ccccc1Cl 488560696 DQHDOMQAZCQDOP-GFCCVEGCSA-N 288.778 3.819 30 20 CHED Cc1cccc(NN=Cc2cc(C(=O)O)c(C)cc2C)c1 814687783 UERGAXXPTAOGHO-UHFFFAOYSA-N 282.343 3.756 30 20 CHED CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)CCO1 579891120 CBQRTQJXHSTWKI-NXHRZFHOSA-N 298.430 3.729 30 20 CHED CC(C)c1scnc1C(=O)O[C@@H](C#N)C1CCCCC1 811264839 MMBFXTZYWNQASJ-LBPRGKRZSA-N 292.404 3.896 30 20 CHED C=C[C@@H]1CCCCN1C(=O)COc1cccc(Cl)c1C 488882028 PNWKJVRCMVNZNQ-CYBMUJFWSA-N 293.794 3.594 30 20 CHED C=CCCNCc1c(C)nn(Cc2ccc(C)cc2)c1C 657582717 BNCSAHCDQHMSEG-UHFFFAOYSA-N 283.419 3.522 30 20 CHED CC(=NN[C@@H](C)COc1ccccc1)C1CCCCC1 811667343 SFGVEUGVXCXHLE-AWEZNQCLSA-N 274.408 4.000 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCCC1(C)C 811665293 NIGTXVACTKJOCM-CYBMUJFWSA-N 260.381 3.610 30 20 CHED C=CC[C@H](N[C@@H](C)C[C@@H]1CCCCCN1)c1ccncc1 817893254 DAFZCKKIMZZJKW-SZMVWBNQSA-N 287.451 3.599 30 20 CHED C=C[C@H](CC(=O)N1CCC(C)=C(C)C1)c1ccccc1 482866426 FLDFGRVHVMYQRA-MRXNPFEDSA-N 269.388 3.915 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1O 811698384 LFBHZNFTOWUNIB-UTCJRWHESA-N 290.265 3.575 30 20 CHED Cn1c(NN=C2CCC[C@@H]2C(C)(C)C#N)nc2ccccc21 814807500 YQVNLJHYNUZKAG-LBPRGKRZSA-N 295.390 3.691 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 815342569 YKWPNBGPGGTUHD-LBPRGKRZSA-N 281.346 3.680 30 20 CHED CC1(C)CCN(C(=O)c2ccccc2SCC#N)CC1 726957591 BDMJTPOHOMPINI-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CC(C)[C@H]1N(c2nc(Cl)c(C#N)s2)CC12CCC2 813611749 COTKGBOLFPWXIE-SNVBAGLBSA-N 281.812 3.683 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCc2ccc(F)cc21 570145805 QHCSCCQBKGMIEP-AWEZNQCLSA-N 261.340 3.532 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 815060379 SSOSYIVLRJHTHM-CXAGYDPISA-N 272.367 3.697 30 20 CHED C=CCCCCOC(=O)[C@@H](C)c1cccc(F)c1 811008279 CQEQRRILBJHRKQ-LBPRGKRZSA-N 250.313 3.829 30 20 CHED C=CCC1(C(=O)Nc2cccc3nc(O)[nH]c23)CCCCC1 579372575 GNJWXYSXVBKJLQ-UHFFFAOYSA-N 299.374 3.734 30 20 CHED C=CCCOC(=O)c1ccc(SC(F)F)cc1 729073267 LNAFXIINWZCOMY-UHFFFAOYSA-N 258.289 3.734 30 20 CHED C#CCN(C(=O)c1cc(F)c(F)c(F)c1)C1CCCCC1 728468983 DOHWDZQNEAUVCX-UHFFFAOYSA-N 295.304 3.512 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1cccc(-c2cnco2)c1 823777214 RMDVYBOXUDKUIQ-ZDUSSCGKSA-N 284.359 3.560 30 20 CHED C=CCCOC(=O)[C@H](Oc1ccccc1)c1ccccc1 729072733 WQMVLKBJJXDPBD-QGZVFWFLSA-N 282.339 3.926 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 822957764 ISOTXFGGHOKUDW-GUYCJALGSA-N 282.387 3.654 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C(C)(CC)CC)cc1 589080507 HKWDNUNDLFYZGG-HNNXBMFYSA-N 272.392 3.756 30 20 CHED Clc1nccnc1NN=C1CCC[C@H]1c1ccccc1 733079132 WIJQEXZSPLUDMS-LBPRGKRZSA-N 286.766 3.866 30 20 CHED N#CC1(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 903035747 UQRJFTDFMNNDJS-MRXNPFEDSA-N 299.374 3.646 30 20 CHED C=CCc1cccc(F)c1OCc1cnc(CC)o1 902755871 WIFRAFAZZDTXOF-UHFFFAOYSA-N 261.296 3.684 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C(=O)OC)c1 732117774 JKHSECDMUFANMG-UHFFFAOYSA-N 271.341 3.502 30 20 CHED C=CCCC[C@@H](NCC1CCC(CCC)CC1)C(=O)O 900068383 GSMKTZLMCHESPO-UYSNPLJNSA-N 281.440 3.992 30 20 CHED Brc1cccc(NN=C2CCC23CCCC3)n1 835023510 JPKDVBJXUHOMTG-UHFFFAOYSA-N 294.196 3.966 30 20 CHED CC(C)CSCCCOC(=O)[C@]1(C#N)CC12CCCC2 837903015 LWAMUAMOVBCRPL-MRXNPFEDSA-N 295.448 3.783 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1nccs1 732622029 LVKDUGDMULNNCL-UHFFFAOYSA-N 287.175 3.681 30 20 CHED COc1ccc(CCNN=C2CCC[C@@H](C3CC3)C2)cc1 737440791 PQKIYFDSMFOZFJ-MRXNPFEDSA-N 286.419 3.784 30 20 CHED CC[C@@H](CNC(=O)c1ccc(C)c(C#N)c1)CC(F)(F)F 839842081 HOHVFDBJVTZADK-LLVKDONJSA-N 298.308 3.575 30 20 CHED CC(C)C(=NNC(=S)NC(C)(C)C)C1CCCCC1 733907381 OCXPXESGSLWDCU-UHFFFAOYSA-N 283.485 3.841 30 20 CHED N#CCCCCCC(=O)Nc1ccc(OC(F)F)cc1 588147313 RBEPJHQLPOQJST-UHFFFAOYSA-N 282.290 3.701 30 20 CHED C[C@@H]1CC(=NNc2ccncn2)C[C@@H](c2ccccc2)C1 835001254 FDAJFBYJRJFEGL-ZFWWWQNUSA-N 280.375 3.848 30 20 CHED N#Cc1ccccc1COC(=O)c1cc2occc2s1 736895939 KTJORKUOHHCXEE-UHFFFAOYSA-N 283.308 3.723 30 20 CHED C#CCCCCC(=O)N[C@@](C)(Cc1ccccc1)C1CC1 837163401 AWVMUFWALHVNSM-IBGZPJMESA-N 283.415 3.708 30 20 CHED CC[C@H](NC(=O)NCC#Cc1ccccc1)C1CCCCC1 586283962 BNWXZBUWZLAITE-SFHVURJKSA-N 298.430 3.696 30 20 CHED CCCCCCCCC(=O)OCc1snnc1C 835461896 SVWVMSIHBPSPMG-UHFFFAOYSA-N 270.398 3.640 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2cccc(O)c21 834787002 GBPFJEZJTSOPJY-DLBZAZTESA-N 290.366 3.528 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCc2ccccc2C1 583998445 TWKQTIGTXIVTKN-GOSISDBHSA-N 298.430 3.580 30 20 CHED CC(CC(C)(C)C)=NNc1ncnc2ccsc12 834964843 ZOSKWIBMYJAKSB-UHFFFAOYSA-N 262.382 3.915 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1c(F)cccc1F 735614955 GIZLDIKQJCCIME-UHFFFAOYSA-N 276.261 3.866 30 20 CHED CC(CC(C)(C)C)=NNc1ccc(F)c([N+](=O)[O-])c1 834970230 URIZHRXJAVXCLA-UHFFFAOYSA-N 267.304 3.958 30 20 CHED C[C@]1(Cc2ccccc2F)CCCN1c1ccc(C#N)cn1 591973270 WWNZFNXJBJKTAI-GOSISDBHSA-N 295.361 3.694 30 20 CHED CCN(Cc1csc(C2CCCCC2)n1)[C@H](C)C#N 595812329 IVDLLMRXUIIWOD-GFCCVEGCSA-N 277.437 3.925 30 20 CHED CCO[C@@H](CC)c1noc(/C=C\c2ccccc2C#N)n1 596616054 RMOABIAGEFRSEB-CMUBDUJZSA-N 283.331 3.599 30 20 CHED CCNC(=S)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915124791 XFHZLKSMQTYZLX-INIZCTEOSA-N 295.411 3.648 30 20 CHED C#Cc1cccc(NC(=S)Nc2cnccc2SC)c1 749896922 IWJNHWBKVSXTSI-UHFFFAOYSA-N 299.424 3.594 30 20 CHED CC[C@](C)(C=NNc1c(F)cccc1Cl)OC 834968365 AYRXERMJAXUGFC-GFCCVEGCSA-N 258.724 3.692 30 20 CHED O=C1/C(=C\c2ccc(OC(F)F)cc2)Oc2ccccc21 742436812 NZDCERHVWXEQFT-NTEUORMPSA-N 288.249 3.904 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1ccccc1F 915979287 RJYYZPFTJOPWIQ-UHFFFAOYSA-N 278.277 3.618 30 20 CHED Cc1cccc(F)c1CNC(=O)Nc1ccc(CC#N)cc1 743081322 DIHSMYVBDRLMHB-UHFFFAOYSA-N 297.333 3.522 30 20 CHED CC(C)(C)c1cnc(SCC2(C#N)CCCC2)[nH]1 918536051 GHMZCDNUJMMPPS-UHFFFAOYSA-N 263.410 3.883 30 20 CHED Cc1nc(C)c([C@H](C)NCCc2ccc(C#N)cc2)s1 595055219 BEAYWHYHCYPXKJ-NSHDSACASA-N 285.416 3.525 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCC(OC)CC1 918019672 SMLXGJMNMBSMAQ-HNNXBMFYSA-N 298.471 3.803 30 20 CHED O=[N+]([O-])c1cccc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 916268993 KTUNGRXYJJAODL-KAOXEZKKSA-N 285.347 3.819 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@H]1c1cc(C)ccc1C 593527648 CNLCJNRYCCDPLH-HOCLYGCPSA-N 270.376 3.517 30 20 CHED C=CCOc1ccccc1C(=O)NCC(=C)c1ccccc1 673341787 LAYKBAYIMOSGEW-UHFFFAOYSA-N 293.366 3.695 30 20 CHED C[C@@H](CCCC(F)(F)F)N=c1[nH]c(C#N)c(Cl)s1 596209931 JSPFQEAKOOZLES-LURJTMIESA-N 297.733 3.623 30 20 CHED C=CCN(C(=O)CCc1ccc(C)cc1C)C(C)C 915153872 YQYOZXUHOCQCIP-UHFFFAOYSA-N 259.393 3.659 30 20 CHED C=C(C)CCOC(=O)C[C@H](C)c1ccccc1OC 744304110 FOWZDFBUUFKGEN-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED C/C(=C\C(=O)OCc1ccccc1C#N)c1ccc(F)cc1 743071075 KXHOPMRVKVNYAQ-JLHYYAGUSA-N 295.313 3.844 30 20 CHED C=CCN(CCCOC(C)(C)C)CCc1ccco1 679329760 WKZQNPDRZUBUSB-UHFFFAOYSA-N 265.397 3.515 30 20 CHED CC(=NNCc1cccc2cccnc12)c1cccc(F)c1 915959896 UBIZIAGWKCIAAF-UHFFFAOYSA-N 293.345 3.888 30 20 CHED C=C[C@@H](C)ON=Cc1ccc(CSC(F)F)o1 844622692 ADVWUHYBGQENIT-MRVPVSSYSA-N 261.293 3.660 30 20 CHED N#C[C@H](C(=O)C[C@@H]1C=CCCC1)c1nc(C2CC2)cs1 842946856 XRUGAZGGNYANQM-DGCLKSJQSA-N 286.400 3.943 30 20 CHED C=CCOC(=O)C[C@H](C)c1ccccc1C(F)(F)F 744042174 KQOSDBZBQRGYTF-JTQLQIEISA-N 272.266 3.928 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(N)c1 596651367 OXBHXDOIEKDCMS-LJQANCHMSA-N 291.398 3.698 30 20 CHED C=C(C)CON=C1CCc2[nH]c3ccc(OC)cc3c2C1 844618338 QQQOGPYDLCPVBF-UHFFFAOYSA-N 284.359 3.614 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1ccc(O)cc1 740764242 PHKWNWCAXGYDQK-KTKRTIGZSA-N 275.307 3.837 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C/C1CCCC1 843826382 SOAXKIDVOGOUFE-CSKARUKUSA-N 283.375 3.675 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)c1 915992841 CLDOEXJTVFYPFG-WEVVVXLNSA-N 291.350 3.776 30 20 CHED CCc1oc2ccccc2c1CC(=O)N[C@@H](C#N)CC(C)C 599272749 SAKTWSSTYGEJDE-CYBMUJFWSA-N 298.386 3.592 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 593519617 IRGIUBOXTOWIRM-VHDGCEQUSA-N 295.386 3.531 30 20 CHED C#C[C@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 744181683 WJNSMCLEIPXRQC-ZDUSSCGKSA-N 291.306 3.529 30 20 CHED C#CCn1ccc(CN(CC)Cc2ccccc2C(C)C)n1 848908028 WQKRAZOZNGYZAI-UHFFFAOYSA-N 295.430 3.662 30 20 CHED CC[C@@H](CC#N)NC(=O)c1coc2ccc(Cl)cc12 593606506 TUVHRTOMBNELAY-JTQLQIEISA-N 276.723 3.508 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3c2OCO3)c(C)c1 915985188 RETQRQFQOIFJRU-CLFYSBASSA-N 280.323 3.928 30 20 CHED C=CCN(Cc1c(O)ccc2ccc(OC)cc12)C(C)C 917481706 WFIRLCXILVHUJB-UHFFFAOYSA-N 285.387 3.950 30 20 CHED CC[C@H](C)n1ncc(Nc2nc(C#N)c(Cl)s2)c1C 596205103 GCNGYFITIWZPGN-ZETCQYMHSA-N 295.799 3.888 30 20 CHED N#CC1(CCOC(=O)c2cccc3[nH]ncc23)CCCCC1 840517065 KGXLIDVIYSFAEB-UHFFFAOYSA-N 297.358 3.584 30 20 CHED CC(C)CCCCCC(=O)N(CCC#N)C(C)C 747908787 PDHOSKHBOFXVBJ-UHFFFAOYSA-N 252.402 3.744 30 20 CHED CCN(Cc1ccc(OC(C)C)c(Cl)c1)[C@H](C)C#N 595821082 SYGWAKAWIPTEIR-GFCCVEGCSA-N 280.799 3.861 30 20 CHED Cc1cc(C)c(NC(=O)NCC2(C#N)CCC2)c(Cl)c1 591335678 OOIHSGQBMNJRCW-UHFFFAOYSA-N 291.782 3.772 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2C[C@H]2c2ccco2)n1 591201297 KGNWRSNCABAEIG-CHWSQXEVSA-N 281.359 3.812 30 20 CHED C#Cc1cccc(NC(=O)CCCc2sccc2C)c1 747750728 XIARUUKNRGEHJB-UHFFFAOYSA-N 283.396 3.999 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(C#N)cn1 593988502 IIIBKUCUXYCHCM-KRWDZBQOSA-N 295.386 3.545 30 20 CHED C=CCCC(=O)OCc1ncc(-c2ccc(C)cc2)o1 744921615 RZPAINHUXMNBBB-UHFFFAOYSA-N 271.316 3.659 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1cc(F)ccc1OC 922620760 XOSVJCDFDNDBOE-KRWDZBQOSA-N 298.361 3.947 30 20 CHED C/C(=C/c1ccco1)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 847735531 PWVYLCPXRPOUND-SZNGSJQDSA-N 298.367 3.893 30 20 CHED CCC[C@H](N[C@@H](C)CC(C)(C)C#N)[C@H](O)c1ccccc1 926333959 WIHHJUARNMHJKD-BHYGNILZSA-N 288.435 3.807 30 20 CHED COc1cccc(C(C)(C)CN[C@@H](C)CC(C)(C)C#N)c1 925597664 QZEQAGYBYRHPSM-AWEZNQCLSA-N 288.435 3.891 30 20 CHED N#Cc1ccc(F)c(CNCc2ccccc2C2CC2)c1 751146925 MEIIFWJICGJORT-UHFFFAOYSA-N 280.346 3.865 30 20 CHED Cc1ccnc2[nH]c([C@H](C#N)C(=O)C[C@@H](C)CC(C)C)nc12 750724500 RTHSORBVUVEVLE-WCQYABFASA-N 298.390 3.515 30 20 CHED CC(=NNc1cc(C)ccn1)c1cc(Cl)ccc1O 755906358 LVXNDOPIRAXNFA-UHFFFAOYSA-N 275.739 3.585 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](CC=C)c2ccncc2)C1 853746998 NJBHJNRYHDIRMH-DOTOQJQBSA-N 299.418 3.697 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccccc1OC(F)F 755821229 ZIYYMUZNTAWWNK-CYBMUJFWSA-N 285.290 3.555 30 20 CHED Cc1ccc(-c2nc(C=NOCc3cccnc3)co2)cc1 755802233 RKLJDMFWQSAJJL-UHFFFAOYSA-N 293.326 3.596 30 20 CHED Cc1ccccc1C=NOCCC1SCCS1 853641030 VTNJSNOONWJFFD-UHFFFAOYSA-N 267.419 3.542 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1F 756257087 CSKPGMWWEXOWNE-QHHAFSJGSA-N 287.240 3.872 30 20 CHED CCC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccccn1 924946321 NAGIFFYRDFEKDN-DZGCQCFKSA-N 259.397 3.841 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1O2 925602233 SJDXNLBMLGJPQM-KTQBOKQISA-N 284.403 3.577 30 20 CHED COCCOc1ccccc1/C=C1/CCCC(C)(C)C1=O 757535357 RATOOLYPJKYQPM-SQFISAMPSA-N 288.387 3.874 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)COc1cccc(Cl)c1 851214693 VGPJZYMGUYHEBD-LLVKDONJSA-N 295.766 3.590 30 20 CHED CCc1c(C)sc(NC(=O)C(C)=C(C)C)c1C#N 757395625 ZTUIABOSIDKSCW-UHFFFAOYSA-N 262.378 3.785 30 20 CHED C[C@@H](CCc1ccccc1)OC(=O)c1cc(C#N)cs1 752592018 MAFXWDCXTDWNON-LBPRGKRZSA-N 285.368 3.798 30 20 CHED C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 935418683 JZHJKJXMIROWFY-STQMWFEESA-N 283.371 3.696 30 20 CHED CCc1ccc(C(C)=NNC(=S)Nc2ccccc2)o1 752161467 XPPYBQXNDSQYRI-UHFFFAOYSA-N 287.388 3.553 30 20 CHED CC1CCC(=NNc2cncc(Br)c2)CC1 758122155 GARVJAKISYTSMX-UHFFFAOYSA-N 282.185 3.822 30 20 CHED COc1ccc2c(c1)O/C(=C\c1cc(F)cc(F)c1)C2=O 755598035 BKAXRDOYSWQGHR-UUASQNMZSA-N 288.249 3.590 30 20 CHED COc1ccsc1C=NNc1nccc2sccc12 764680936 FOORAXXUVGAWEM-UHFFFAOYSA-N 289.385 3.812 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 932179806 JHLXHJOVQOAKGX-SMDDNHRTSA-N 276.767 3.623 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1cc(Cl)ccc1O 769610456 QHDDCFOJUBDKQB-ALCCZGGFSA-N 298.729 3.589 30 20 CHED CCC(CC)NN=Cc1sccc1Br 764910702 TZPFXCMDRHSYCS-UHFFFAOYSA-N 275.215 3.623 30 20 CHED Oc1cccc(/C=N/[C@@H]2CCCc3sccc32)c1O 767338458 PLWMOARLAGRTRV-GFQQVXNGSA-N 273.357 3.656 30 20 CHED C=CCC[C@H](CC)NC[C@]1(O)CCCc2ccccc21 765877715 FOMTVLSXXJCDPM-FUHWJXTLSA-N 273.420 3.545 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCSC(F)(F)F 768594973 MDVCIOKCAUEFJK-UHFFFAOYSA-N 297.342 3.893 30 20 CHED COc1ccc(CCC(C)=NOCC(F)(F)F)cc1 764843975 DPXURMOKWJLHSG-UHFFFAOYSA-N 275.270 3.583 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C\c2ccnn2C)cc1 863197178 KOIREYLQYZFWIT-ASCRHOAZSA-N 268.360 3.830 30 20 CHED COc1cc(OC(=O)[C@H](C)CC2CCCC2)ccc1C#N 767166021 ACROSUWDHDHJHA-GFCCVEGCSA-N 287.359 3.689 30 20 CHED CC#CCCCC(=O)Oc1ccc(OCCC)cc1 767043664 DNXDQKZQLPUSET-UHFFFAOYSA-N 260.333 3.574 30 20 CHED Cc1ccc(NC(=O)c2ccccc2SCC#N)c(O)c1 768938304 MGOPSFCOZWXGII-UHFFFAOYSA-N 298.367 3.569 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1CCCCC1 768371377 BZORXAFCCCRWGN-UHFFFAOYSA-N 251.370 3.830 30 20 CHED Cc1c(F)ccc(C(=O)OCCCCC(C)(C)C#N)c1N 768851734 MZYPKPIUEJUGCA-UHFFFAOYSA-N 292.354 3.593 30 20 CHED CC[C@@H](CC(=O)Oc1ccc(C#N)cc1F)C(C)C 769739832 JNWWWWAZDYZOMS-LBPRGKRZSA-N 263.312 3.675 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C=NNCC(F)(F)F 769813426 FTTVSTLBEJCCPP-UHFFFAOYSA-N 289.688 3.616 30 20 CHED Cc1sc(/C=C/c2ccc(C#N)cc2)cc1C=O 760264805 MSUIYQJHPYBGRU-VOTSOKGWSA-N 253.326 3.911 30 20 CHED N#CCc1cccc(NC[C@H]2SCCc3ccccc32)n1 1116661383 AZXGCQIYNYLELM-MRXNPFEDSA-N 295.411 3.590 30 20 CHED CC(=O)c1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 769699568 RNTJOGZKCQCZDE-CYBMUJFWSA-N 293.322 3.679 30 20 CHED C=C(C)COC(=O)c1c(C)c(C)nc2ccccc12 1116831882 CZWYUBQDLNQMJN-UHFFFAOYSA-N 255.317 3.585 30 20 CHED C=C(CC)COC(=O)[C@](C)(CCC)NC(=O)OC(C)(C)C 773507831 VNWYJBNUFXXDNN-INIZCTEOSA-N 299.411 3.579 30 20 CHED CCCCCCCC(=O)NCC[C@@](C)(O)c1ccccc1 779135483 ZRAUJHJILHFBNJ-GOSISDBHSA-N 291.435 3.761 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ccc(N(C)C)cc1 776015453 HVLZCDLBXRJKSG-OAHLLOKOSA-N 288.435 3.546 30 20 CHED C#CCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 776852157 PWJVFKDEJPXOMC-KURKYZTESA-N 253.389 3.668 30 20 CHED C=CCN(C(=O)[C@H]1CCc2c(Cl)cccc21)C(C)C 775712759 HJBHWNHJEWWJFE-AWEZNQCLSA-N 277.795 3.793 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H]1CC[C@@H](C)C[C@H]1C 775487921 IVXJAWCEIXBSHS-MGPQQGTHSA-N 289.375 3.628 30 20 CHED CC[C@@H](C)c1nnc(C2(c3cccc(C#N)c3)CC2)o1 1117212241 MNJJCKBPVRFYTQ-LLVKDONJSA-N 267.332 3.535 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)cc(F)c1OC 879165813 RHUWNKYTVFPJRW-UHFFFAOYSA-N 269.291 3.514 30 20 CHED C=CCN(C(=O)Nc1ccc(CCC)cc1)C1CC1 772216791 CKNYLDCLCTUJSJ-UHFFFAOYSA-N 258.365 3.821 30 20 CHED C#CCCCCC(=O)OCC(=O)c1cccc2ccccc12 773624657 NRYBDINFXVNLOH-UHFFFAOYSA-N 294.350 3.759 30 20 CHED CSc1ccccc1CC(C)=NOC1CCOCC1 774439738 YDPWYKYKGOXKFY-UHFFFAOYSA-N 279.405 3.523 30 20 CHED COc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc1C1CC1 774154491 BDCKSUGITKTRPH-LLVKDONJSA-N 287.359 3.668 30 20 CHED C=C(C)CN(C)C(=S)Nc1cccc(Cl)c1 777917947 GBZORFFGOFGRJV-UHFFFAOYSA-N 254.786 3.545 30 20 CHED C=CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)C1CC1 771540364 DLWJOLMHPBEWNV-UHFFFAOYSA-N 291.807 3.559 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1[C@H](C)CCC 780653346 GDUYFNNUFGNDJQ-CVEARBPZSA-N 263.425 3.997 30 20 CHED C[C@H]1CCC(=NNc2cnc3ccccc3n2)[C@H](C)C1 783838990 AQEOZHAUMCANGT-NWDGAFQWSA-N 268.364 3.854 30 20 CHED CCCCCCCCS(=O)(=O)c1ccccc1OC 786735467 ZVBNLNACZFGFJI-UHFFFAOYSA-N 284.421 3.829 30 20 CHED Cc1cscc1CNCc1ccc(O[C@H](C)C#N)cc1 785520872 CXORDGFEKXPSKC-CYBMUJFWSA-N 286.400 3.637 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1C1CCCC1 780391880 GIPOSZGGCSWWSA-MRXNPFEDSA-N 261.409 3.751 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCCc1ccsc1 783407525 IHTXUGZZSBOWMI-UHFFFAOYSA-N 299.395 3.994 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc2c(c1)OC(=O)C[C@@H]2C 785365262 KXRMTKCWOKPHRE-APPDUMDISA-N 288.343 3.607 30 20 CHED C=C[C@H](CC(=O)OCc1cncc(C)c1)c1ccccc1 785689408 ZJTDPUQCDJWEFA-MRXNPFEDSA-N 281.355 3.793 30 20 CHED CCn1c(C)cc(C=NN[C@H]2CCCC2(C)C)c1C 782287643 NHYFOFRCIRXHDP-HNNXBMFYSA-N 261.413 3.627 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCCC(C)(C)CC 782443541 MYDUAKQYMGAMKJ-OAHLLOKOSA-N 256.386 3.585 30 20 CHED Cc1ccc(F)cc1COC(=O)/C=C\c1ccccc1C#N 782249991 OZULJVFGJIGNNT-CLFYSBASSA-N 295.313 3.762 30 20 CHED N#CC1(CCCC[S@](=O)CCC(F)(F)F)CCC1 899288415 XZAMXFGUHASCHU-SFHVURJKSA-N 281.343 3.552 30 20 CHED Cc1cc(/C=C/C(=O)c2coc(C(C)C)n2)cnc1F 899370170 AOWHYNSLMFYNHD-SNAWJCMRSA-N 274.295 3.537 30 20 CHED Cc1cc(C#N)ccc1N1CCC(c2nc(C)c(C)[nH]2)CC1 895228068 UTBKEASQJUTXEJ-UHFFFAOYSA-N 294.402 3.591 30 20 CHED Cc1cccc(NN=Cc2ccc3cnccc3c2)c1 782110405 HVHZUQZHNGDLLP-UHFFFAOYSA-N 261.328 3.989 30 20 CHED C(=NOCCC1CC1)c1cccc(OCc2ccncc2)c1 783553001 IQPXXRIIRFHWFX-UHFFFAOYSA-N 296.370 3.811 30 20 CHED C=C1CCC(C(=O)N2CC(Cc3cccc(C)c3)C2)CC1 896901290 KUXBKXHLDGOSIB-UHFFFAOYSA-N 283.415 3.742 30 20 CHED C=CC(C)(C)CC(=O)Nc1nn(C(C)C)cc1Cl 894873491 INHQUROVJKFWPR-UHFFFAOYSA-N 269.776 3.658 30 20 CHED CCCCCCCC(=O)Nc1ccn(C(C)C)n1 796446888 GTPIQUJREGJVSP-UHFFFAOYSA-N 251.374 3.763 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)Cc1ccc2ccccc2c1 791067675 UDVOWIRTEUFVBV-GOSISDBHSA-N 294.398 3.783 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1cc(C)c(F)cc1F 796463694 SUIVFRFEEHJBSO-UHFFFAOYSA-N 296.313 3.601 30 20 CHED COc1ccsc1C=NN1CCC(C(C)(C)C)CC1 790178981 PNXJHKQAFDGJBH-UHFFFAOYSA-N 280.437 3.849 30 20 CHED C#C[C@@H](NC(=O)c1ccc(Cl)cc1SCC)C(C)C 799046838 MUFKHCIFQBHUIX-CYBMUJFWSA-N 295.835 3.840 30 20 CHED C=C(C)CCOC(=O)[C@H](C)[C@@H]1OCCc2sccc21 796474329 PWBTZYNWSOPEMX-RISCZKNCSA-N 280.389 3.507 30 20 CHED CCC(=NNc1nc2ccccn2n1)c1cccc(Cl)c1 790199305 PKUVDJNHZKWBBP-UHFFFAOYSA-N 299.765 3.609 30 20 CHED N#Cc1ccc(OC(=O)[C@H](F)CC2CCCCC2)c(F)c1 796826240 KPCZSTXPGQNVRC-CQSZACIVSA-N 293.313 3.911 30 20 CHED CN(C)c1ccccc1CNN=Cc1sccc1Cl 794953252 ZDSQCXAKEHCRMR-UHFFFAOYSA-N 293.823 3.591 30 20 CHED CC(C)Oc1ccccc1C=NOCCCCF 795200983 OKPCDVBKJLRTLJ-UHFFFAOYSA-N 253.317 3.574 30 20 CHED C=CCN(Cc1ccc(-n2ccnc2)cc1C)C(C)C 792205923 AZVASFBOSGXXJV-UHFFFAOYSA-N 269.392 3.577 30 20 CHED CC(=NNCCC(F)(F)F)c1cc2c(s1)CCCC2 794548603 VOTVRMBZQGGYSO-UHFFFAOYSA-N 290.354 3.893 30 20 CHED CC(C)C1CCC(C=NNc2ccc(Cl)nn2)CC1 794861434 WSMOUHHXCSEDSC-UHFFFAOYSA-N 280.803 3.990 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Oc1cccc(Cl)c1 799472992 USHBGVGOPWRJHO-HJWRWDBZSA-N 283.714 3.830 30 20 CHED COc1ccccc1CON=Cc1c(O)cccc1Cl 799118690 QKQUQCBJYKXTIN-UHFFFAOYSA-N 291.734 3.605 30 20 CHED COc1c(C)cc(C(C)=NO[C@@H]2CCCCO2)cc1Cl 794923721 UCPVTIVIKMQVCA-CQSZACIVSA-N 297.782 3.924 30 20 CHED C=CCCOCCN[C@H](C)c1cc(C)c(OC)c(Cl)c1 796848199 POHIPNJAELMTHC-CYBMUJFWSA-N 297.826 3.900 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(OCC#N)cc2)C[C@H]1C 246878923 KCPXWBQZMDVBHF-FMKPAKJESA-N 272.392 3.503 30 20 CHED Cc1ccnc(N2CCC[C@@]2(C)CC(C)C)c1C#N 1307130864 WTWNKOXQZQWYHV-INIZCTEOSA-N 257.381 3.667 30 20 CHED CC[C@H](C)Oc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)n1 1308911990 LXRGXARAPMSMQV-BFHYXJOUSA-N 273.380 3.753 30 20 CHED CCc1ccc2c(c1)CN(c1cccc(F)c1C#N)CC2 1164395140 VVCGLUSGBBFWKM-UHFFFAOYSA-N 280.346 3.822 30 20 CHED N#Cc1cccc(Br)c1N1CCCC2(CC2)C1 1472762780 KUIVTPGVXSQURK-UHFFFAOYSA-N 291.192 3.701 30 20 CHED CCc1ccc(CCC(=O)Nc2sccc2C#N)cc1 60538222 JFIAZEZQJYBLLM-UHFFFAOYSA-N 284.384 3.753 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSCc1cccs1 1319838529 QYEDWWFOQQEVCE-GFCCVEGCSA-N 283.462 3.842 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)c1cccc(C)c1 77012626 QTBHQMPWWADYCR-UHFFFAOYSA-N 280.371 3.924 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@H]2CCCC[C@@H]2C1 1231620883 OWHZAZGKOUDZLC-HZPDHXFCSA-N 284.403 3.579 30 20 CHED Cc1ccccc1C[C@H](C)NCc1ccc(C#N)s1 135681731 WXJFVVZUQGPNDA-ZDUSSCGKSA-N 270.401 3.649 30 20 CHED C=CCCCOC(=O)CCSc1ccccc1 735524154 ZSMBHISHDSQLAI-UHFFFAOYSA-N 250.363 3.678 30 20 CHED COc1cccc2cc(CNc3nccc(C)c3C#N)oc12 1323716101 UEXCFHZCPXVZJO-UHFFFAOYSA-N 293.326 3.629 30 20 CHED N#CCc1cccc(NC[C@@H](c2ccccc2)C2CC2)n1 1324430476 QYFIAEXEERLQNE-KRWDZBQOSA-N 277.371 3.753 30 20 CHED C[C@@]1(c2nnc(COc3ccc(C#N)cc3)o2)CC=CCC1 1327006944 ODHXOGOKYCKLGX-QGZVFWFLSA-N 295.342 3.518 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(OC)c2ccccc12 1320593653 ZWTHCSSTHBYHHF-KBPBESRZSA-N 285.387 3.700 30 20 CHED N#Cc1ccc(N2CCC(C3CCCCC3)CC2)nc1 708860254 DTGSHECQAGBDGN-UHFFFAOYSA-N 269.392 3.750 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1cccc2ccccc12 63094792 NHARYOSEUOHCGW-LBPRGKRZSA-N 267.332 3.606 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@H]1CC2CCC1CC2 695728397 DDICWTWKZAYDJE-MGULZYLOSA-N 288.778 3.976 30 20 CHED CCOc1ccc(NCc2cc(C#N)cs2)cc1OC 93492707 QPMCYTCCDBBNSK-UHFFFAOYSA-N 288.372 3.639 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC[C@@H]2C2CC2)cc1F 1182358129 ZUYYXKHPBNLCLM-JKSUJKDBSA-N 272.367 3.613 30 20 CHED CCc1cc(C(=O)OCC(C)(C)CCC#N)cc(Cl)n1 1343530551 IYXKFKRBTMHFOT-UHFFFAOYSA-N 294.782 3.784 30 20 CHED C=CCCCOC(=O)c1oc(C2CC2)nc1C(F)F 1343471037 ZCZXSRVAWPQUTK-UHFFFAOYSA-N 271.263 3.613 30 20 CHED C=CCC[C@@H](C(=O)OCCc1cnoc1)c1ccccc1 1343696705 SNHPRSKPFYKNMJ-MRXNPFEDSA-N 285.343 3.510 30 20 CHED CC[C@H](OC(=O)c1cc(C#N)ccc1C)c1ccncc1 1275419625 JZSULQUFHYFDOR-INIZCTEOSA-N 280.327 3.570 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1cc(C)ccc1C 1356606044 PADFTLFDSIULID-UHFFFAOYSA-N 284.384 3.903 30 20 CHED Cc1cnc(CSc2ccc(Cl)cc2C#N)o1 1458968277 JMTVPNLJRUXYPQ-UHFFFAOYSA-N 264.737 3.800 30 20 CHED Cc1cccc2cc(Oc3cccc(C#N)n3)cnc12 1458438707 RNXAKOZMLVCYNU-UHFFFAOYSA-N 261.284 3.602 30 20 CHED N#Cc1ccc(CCOc2ccc(Cl)cc2F)cc1 1458834231 JMNLQONPCAANHP-UHFFFAOYSA-N 275.710 3.972 30 20 CHED CC(C)c1cccc(CNC(=O)c2ccsc2C#N)c1 1523034347 TZCWTLONQRCWRB-UHFFFAOYSA-N 284.384 3.673 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H]2CCC[C@H](C)C2)c1C#N 1458140366 ZSQATVLQPPFUBM-CMPLNLGQSA-N 277.799 3.930 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2ccc(F)c(C#N)c2)c1 1529684667 HMFZIXUHOJDNRD-UHFFFAOYSA-N 296.345 3.886 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(C(=O)O)c1Cl 1609290708 TYTPYACVIBCQQL-UHFFFAOYSA-N 293.750 3.745 30 20 CHED CCCCCCCNC1(C(=O)O)CCCCCC1 1603640408 FSTFEJQTUYBNOD-UHFFFAOYSA-N 255.402 3.724 30 20 CHED C=CCCCCCN(C)Cc1cc(C(=O)O)sc1C 1602869290 BZTFIXYSBNNGMZ-UHFFFAOYSA-N 281.421 3.933 30 20 CHED C=CCN(C(=O)c1ccc(Br)cc1C)C(C)C 917658920 HWLQLHABTZKDRG-UHFFFAOYSA-N 296.208 3.794 30 20 CHED CCc1ccc(COc2ccc(C#N)c(OC)c2)cc1 1473023013 SJGMNFSFEGMNBZ-UHFFFAOYSA-N 267.328 3.708 30 20 CHED CCCc1nsc(Sc2ccc(C#N)c(C)c2)n1 1559218736 OSBYGBKRQCULES-UHFFFAOYSA-N 275.402 3.822 30 20 CHED CC[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@H]1CC1(C)C 1559215483 CFZTULQJTPDNBS-MWLCHTKSSA-N 263.772 3.843 30 20 CHED Cc1nnc(S[C@H](C)CCC#N)n1C1CCCCC1 1559316479 LEEHNIDNTMTJLG-LLVKDONJSA-N 278.425 3.876 30 20 CHED CC(C)C(NC1CC(C#N)(c2ccccc2)C1)C(C)C 1621567890 VVLUBBKLCMSHJF-UHFFFAOYSA-N 270.420 3.881 30 20 CHED O=C(O)c1ccc(F)c(/C=C\C(=O)c2cccc(F)c2)c1 1776129745 UVLBBTZWVSDRHB-ALCCZGGFSA-N 288.249 3.559 30 20 CHED C[C@H]1C(=NNc2ccc(Cl)cc2F)CC[C@@H]1CC(=O)O 1776106710 RFQCFPZWSXJGDY-RKDXNWHRSA-N 298.745 3.768 30 20 CHED CC[C@H](CSC)Nc1ccc(C#N)c(Cl)c1 162141334 AXQGJYFEFKZWFC-SNVBAGLBSA-N 254.786 3.765 30 20 CHED CC1(C)CCC[C@@H]1NCc1ccc(C#N)cc1Cl 162766265 OHJLQMPOTUHFEJ-AWEZNQCLSA-N 262.784 3.880 30 20 CHED C=C(Cl)CN[C@@H]1CCCc2c1[nH]c1ccccc21 160994728 RCSFBRBQUFZMHK-CQSZACIVSA-N 260.768 3.887 30 20 CHED Cc1ccc(Cl)cc1C(=O)N(C)Cc1ccc(C#N)cc1 163169621 XYGRNTSDBBSTCI-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CC(C)(CCC(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 157743184 DDHXPPATGMMNHM-OAHLLOKOSA-N 286.419 3.799 30 20 CHED N#Cc1ccc(-c2nc3cc4ccccc4cc3[nH]2)o1 154655385 YBIVLOIPNWKFFC-UHFFFAOYSA-N 259.268 3.848 30 20 CHED C[C@@H]1CCCCN(c2nc(C(C)(C)C)ccc2C#N)C1 1651758442 JBCMTKMRUUJFSG-CYBMUJFWSA-N 271.408 3.877 30 20 CHED CCCCCCC[C@H](C)NCc1c(C)nn(C)c1C 118473400 GUYIMLYCCFKJFC-ZDUSSCGKSA-N 265.445 3.876 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C1 235185704 COKCTYVZFIEEBD-DGCLKSJQSA-N 291.376 3.553 30 20 CHED COc1ccccc1CNc1ccc(Cl)c(C#N)c1 35224492 NJDORQWMPQIXOY-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1ncc(CNc2cccc(OCCCC#N)c2)s1 37797677 CHVLDQULQRWLKG-UHFFFAOYSA-N 287.388 3.746 30 20 CHED Cc1ccc(N(C)Cc2ccccc2C#N)c(C)c1 48346107 VXCMBLRQRXFKRH-UHFFFAOYSA-N 250.345 3.812 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 459868878 WVEQVYLDFLNVNN-VIFPVBQESA-N 262.740 3.586 30 20 CHED C=CCC(C)(C)CNCc1ccn(-c2ccccc2)n1 312590726 XJLRPHZDPGIBAJ-UHFFFAOYSA-N 269.392 3.564 30 20 CHED CC[C@H](O)[C@@H](CC)Nc1ccc(C#N)c(C(F)(F)F)c1 313113066 NAYYMBXKRVWNHP-OLZOCXBDSA-N 286.297 3.538 30 20 CHED N#Cc1ccc(OC[C@H]2CCCC2(F)F)cc1F 381557972 VXYDGYNLVVGUKQ-SNVBAGLBSA-N 255.239 3.512 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(-c2cccc(C#N)c2)n1 395034678 BHUYBJXPIOSUSZ-SMDDNHRTSA-N 267.332 3.902 30 20 CHED C=CCCC[C@H](C)N[C@@H]1C[C@@H](OCC)C12CCC2 398122331 RLDULTBRNDJPJO-RRFJBIMHSA-N 251.414 3.669 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 398205772 YBVFGWHCBNPQMM-STQMWFEESA-N 261.365 3.811 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CC12CCCCC2 344490092 BNQJWRBDELVKSR-AWEZNQCLSA-N 276.424 3.745 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1)c1ccc(F)cc1 103172339 SZXLRMQIPVNYBS-UHFFFAOYSA-N 282.362 3.765 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C)[C@@H]1C 179348037 TXBOUXPUYOUDBP-YPMHNXCESA-N 271.364 3.519 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2cc(C)oc2C)cc1 113330320 LNUGOIBYTJHUSN-CQSZACIVSA-N 283.371 3.759 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)N(CC)CC 108642074 FDLWZEBRCVUEPQ-UHFFFAOYSA-N 286.828 3.851 30 20 CHED CCOc1cc(NC(=O)c2ccc(C#N)cc2)ccc1C 66525796 PCLCYFGPCMMQJK-UHFFFAOYSA-N 280.327 3.518 30 20 CHED C/C(=C\C(=O)OCCCC#N)c1ccccc1OC(F)F 176251671 OKQHTYSLAWPWSH-ZHACJKMWSA-N 295.285 3.538 30 20 CHED C=CCCCC(=O)N(Cc1cccnc1)Cc1ccco1 175620767 ULORCVCQQIDUJO-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C=CCCCC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 179281389 GEAUMMKPQNBAGN-IBGZPJMESA-N 294.398 3.952 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 136131291 JYENZQVDJRFHHW-RKDXNWHRSA-N 286.135 3.606 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 116857927 JMEDGHDBPZGLTB-CQSZACIVSA-N 298.386 3.663 30 20 CHED CCCC[C@H](CC)CC(=O)N[C@](C)(C#N)C(C)C 117247475 YDJDGZFXOQULOU-DZGCQCFKSA-N 252.402 3.647 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc[nH]c1C 175030770 BUORSXKFMYYPDF-UHFFFAOYSA-N 294.807 3.866 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccc2ccccc2c1 69312799 KWTTWFYQOGAXSC-ZDUSSCGKSA-N 270.328 3.726 30 20 CHED C=C(Br)CN(CC)c1ccccc1F 308569089 JFXRDYFYLIZQFN-UHFFFAOYSA-N 258.134 3.561 30 20 CHED Cc1c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)oc2ccccc12 116806147 PFASRAGWIMSBTH-KPZWWZAWSA-N 296.370 3.944 30 20 CHED CCO[C@H](CC/N=C/c1ccccc1O)C1CCCC1 176323069 LKWOKGLKZVFZCF-CLEQQJOVSA-N 275.392 3.797 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(OC)c(Cl)c2)CC1 111706464 UKRPFPOUHYDXPI-UHFFFAOYSA-N 294.782 3.779 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 111901369 KZYYWIUZSYBAMR-DLBZAZTESA-N 286.419 3.930 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 301418260 GQJPHFRNUFTNFI-CQSZACIVSA-N 288.354 3.917 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](CC)Sc1ccccc1 303489012 PRWQQQWKNWPRLI-OAHLLOKOSA-N 277.433 3.982 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2C(=O)NCCCCC#N)c1 177950648 RTVRYIHSYPFPFB-QGZVFWFLSA-N 299.418 3.844 30 20 CHED C[C@@H](Cc1ccc(F)cc1)N[C@@H](C)c1cccc(C#N)c1 62050261 KYZSDYDTCQMLDD-KBPBESRZSA-N 282.362 3.979 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 172814069 SQJHPTJGQKXDLO-BJMVGYQFSA-N 270.303 3.868 30 20 CHED N#Cc1csc(CNCc2cc3ccccc3o2)c1 177685869 IVYZWLSRYAIHOL-UHFFFAOYSA-N 268.341 3.656 30 20 CHED CC(C)[C@H](CNc1ccc(C#N)cc1F)c1cccnc1 301567544 KZOZGTCSBTVBNG-HNNXBMFYSA-N 283.350 3.944 30 20 CHED C[C@H](CNc1ccc2cc(C#N)ccc2n1)c1nccs1 302160915 YHVKBETVSRKTNJ-LLVKDONJSA-N 294.383 3.779 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2Cc2ccccc2Cl)nc1 301063995 COADGZNEYHTEDP-OAHLLOKOSA-N 297.789 3.818 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2cnn(CC)c2c1 127478471 HYDCCWBTVKKHOW-UHFFFAOYSA-N 283.375 3.763 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2ccncc2)s1 182245390 XUZJKNWATOQCEN-SNAWJCMRSA-N 272.373 3.732 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc(F)cc1F 182579756 MWMLVNAWJCJEQU-NSHDSACASA-N 288.297 3.868 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H](C[C@H]2CCOC2)c2ccccc2)C1 185870416 QCIFFVAGJZSAMZ-QFHJOOASSA-N 298.430 3.826 30 20 CHED C[C@@H](CCc1ccco1)Nc1nc(Cl)c(C#N)s1 235085637 NUUXSVLHFAQSNX-QMMMGPOBSA-N 281.768 3.694 30 20 CHED CC1(C)CC[C@H]1Nc1cc(C(F)(F)F)cnc1C#N 413292397 LSNXDJJGLVDJDS-LLVKDONJSA-N 269.270 3.573 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccncc1 37777370 VBCDRCLWFWUEHS-CQSZACIVSA-N 281.359 3.937 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 183244451 BLDRGNHBOBVFJA-MJEQTWJJSA-N 297.402 3.909 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1cccc(C#N)c1C 509331966 ONLOQZICGYONMU-OAHLLOKOSA-N 292.382 3.975 30 20 CHED Cc1csc(SCc2cccc(C#N)c2F)n1 219763571 SIEDRAFEKAVCJJ-UHFFFAOYSA-N 264.350 3.755 30 20 CHED C=CCCCCCN(C)[C@@H](C)C(=O)c1c[nH]c2ncccc12 502889584 CKMOMQHGKWEZOY-AWEZNQCLSA-N 299.418 3.812 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1C[C@@]1(C)C(C)C 189933937 KDHJGNPYTKSIDM-CJNGLKHVSA-N 264.413 3.599 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)Cc1ccc(Cl)cc1 410834020 JARNBAXHGWZAIV-IUODEOHRSA-N 292.810 3.669 30 20 CHED C#C[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 185298104 VLRGMXJTFBCXFO-SNVBAGLBSA-N 287.359 3.614 30 20 CHED CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410963730 GKOSEWKAUADQFX-QWHCGFSZSA-N 276.767 3.637 30 20 CHED CC#CCCCC(=O)Nc1cccc(-c2ccnc(C)n2)c1 185297086 UYTSETDVUREGIU-UHFFFAOYSA-N 293.370 3.584 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1CCC 125284065 XETZOGFTRBMXQC-ZDUSSCGKSA-N 261.365 3.559 30 20 CHED COc1cc(CCN[C@H](C)c2cccc(C#N)c2)ccc1C 181800196 SFGBSZCYBQUPRL-OAHLLOKOSA-N 294.398 3.769 30 20 CHED CC[C@@H]1C[C@H](Nc2cccc(OCCCC#N)c2)CCO1 70358016 OKKFUCHXDNVCKC-HZPDHXFCSA-N 288.391 3.739 30 20 CHED C[C@H]1CN(c2ncc(C#N)cc2F)CC[C@@H]1c1ccccc1 413174774 QIKYSLSETZEKRN-BBRMVZONSA-N 295.361 3.722 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2csc(-c3ccco3)n2)C1 185863631 ZDJAZLFYIHYLKJ-NEPJUHHUSA-N 287.388 3.575 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(CC)c(C)s1 410147160 IGPUPHKYQFNGOG-LBPRGKRZSA-N 251.395 3.703 30 20 CHED C[C@@H](CCOc1ccccc1)C(=O)Oc1ccc(C#N)cc1 75025344 PZEVUIFVXRPATP-AWEZNQCLSA-N 295.338 3.569 30 20 CHED C#CC[C@@H](OC(=O)c1cc(C)nc2ccccc12)C1CC1 183129914 CFJJXZJRSPEEPU-QGZVFWFLSA-N 279.339 3.502 30 20 CHED CC(C)(C)c1nc(CCN[C@@H]2CCC[C@@H](C#N)C2)cs1 185874698 KTJBHORWGQNHEJ-CHWSQXEVSA-N 291.464 3.655 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(C#N)c2)cnn1C(C)(C)C 188868998 AISDVBBFXXTKGM-CMDGGOBGSA-N 293.370 3.714 30 20 CHED Cc1ccc2c(c1)N(Cc1cc(C#N)cs1)CCC2 507715815 DAVMANBNFANQIX-UHFFFAOYSA-N 268.385 3.881 30 20 CHED C=CCOCCN(C)Cc1csc2ccccc12 338904075 MUGBVGIRYPQFMA-UHFFFAOYSA-N 261.390 3.536 30 20 CHED Cc1ccncc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 611327085 HNTHBBCIWFYYQA-UONOGXRCSA-N 265.360 3.674 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2cccc(C#N)c2)C1 339099760 YUVXLFXVGOQJJK-TZMCWYRMSA-N 271.364 3.506 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(C)ccc1F 500105279 UGLYKIYPSNBBAJ-NSHDSACASA-N 250.317 3.610 30 20 CHED C=CCCCC[C@H](C)NCc1nnc(C2CC2)s1 414336445 ZHBILSIELVWUOX-NSHDSACASA-N 265.426 3.640 30 20 CHED CCOc1cccc(/C=N/CC[C@H](OCC)C(C)C)c1O 74797263 FJSMYXVQLCYDER-BRFSQIRFSA-N 293.407 3.661 30 20 CHED CO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 181551955 XYNOIUCIHOVCCL-KSSFIOAISA-N 280.371 3.597 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/[C@H]2CCCc3occc32)CCC1=O 328911632 GNRWWYPTJNBRQZ-WZRBSPASSA-N 275.348 3.619 30 20 CHED CCCN(CCC1(C#N)CCCCC1)CC(F)F 411230180 UVNDLJAVSINGIB-UHFFFAOYSA-N 258.356 3.828 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)CCC(C)(C)C#N 131705743 POTJSBZUHKUULJ-INIZCTEOSA-N 258.409 3.879 30 20 CHED N#CCOc1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1 41106799 GHXXNPFLVLYLBB-XBXARRHUSA-N 299.276 3.763 30 20 CHED CCOc1ccc(/C=N/OCCCC(C)(C)C#N)cc1 135475227 MHKJGUHIVKFUFW-LDADJPATSA-N 274.364 3.766 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cccc(-c3cnco3)c2)CCC1=O 328938336 GQZDRAZOULBGAZ-DGCLKSJQSA-N 298.342 3.935 30 20 CHED C#CCCCNc1cc(F)c(Br)cc1C 160209085 QLACJJSKQSEQHS-UHFFFAOYSA-N 270.145 3.722 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccccc1Oc1ccccc1 84907652 GYIAZHAEBYKWKO-CYBMUJFWSA-N 295.342 3.760 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1ccc(Cl)s1 193353175 DZLLAVUMVPKHEE-UHFFFAOYSA-N 286.828 3.552 30 20 CHED O/C(=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ncoc1C1CC1 328689705 IEAFVXJBNRWWAA-XGFWRYKXSA-N 286.375 3.681 30 20 CHED CC[C@@H](NCc1cccc(F)c1C#N)c1ccccc1 428288046 FREBRYSTCIHSQO-QGZVFWFLSA-N 268.335 3.938 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425469563 SKQVEXBTUAOSPX-LXZKKBNFSA-N 299.418 3.839 30 20 CHED N#CC1(C(=O)Nc2ccccc2Cl)CCCCC1 44385088 LFXSEXLDIJYFIE-UHFFFAOYSA-N 262.740 3.753 30 20 CHED Cc1ccoc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 80451389 GPHPPFMJINZGFF-SNVBAGLBSA-N 274.345 3.658 30 20 CHED C=C(CNC(=O)N(C1CC1)[C@@H](C)C(C)C)c1ccccc1 512681571 PFAQWZGPMJRPIA-HNNXBMFYSA-N 286.419 3.918 30 20 CHED COc1ccc(C)cc1NCc1cn2ccccc2c1C#N 193400569 OIFJLLQOZWJTJF-UHFFFAOYSA-N 291.354 3.740 30 20 CHED CC[C@H](C)n1ncc(Nc2c(C#N)cccc2[N+](=O)[O-])c1C 425254800 MNNCHVJITMIQOY-JTQLQIEISA-N 299.334 3.686 30 20 CHED C=CCCCCCNc1cccc(C[S@@](C)=O)c1 195449073 UQOPFEZSWNYYNS-GOSISDBHSA-N 265.422 3.723 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccccc2F)CCC1 190555236 KXELLQGFMPEBPM-UHFFFAOYSA-N 261.340 3.531 30 20 CHED C=CCCCCCN(C)C(=O)C[C@@H]1CCO[C@@H](CC)C1 514185804 KZHXSUKSZNDZBY-CVEARBPZSA-N 281.440 3.787 30 20 CHED CCCCN(C)Cc1cc(C#N)ccc1Br 191771790 MDJAUVNGBVCPGZ-UHFFFAOYSA-N 281.197 3.553 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(C)c(SCC#N)s1 339646130 JGGWRGLMIVLZEW-UHFFFAOYSA-N 295.433 3.608 30 20 CHED CCn1ncc2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc21 193198538 CYCGPLBQHXVFQJ-GXTWGEPZSA-N 268.364 3.550 30 20 CHED CCOc1ccc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)cc1OC 331270932 GGIKBJKEBCNNDU-NWDGAFQWSA-N 292.379 3.608 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCC[C@@H]1C#N 331127187 OZVUSLFNGNHUTJ-BZUAXINKSA-N 276.424 3.791 30 20 CHED N#Cc1ccc(CN(CCc2cccs2)C2CC2)cc1 195314572 DSCVKDFVUOCCQM-UHFFFAOYSA-N 282.412 3.827 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(Cl)s1 190682870 ADQWFVFEIHAACJ-CYBMUJFWSA-N 271.813 3.663 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccoc1Cl 192390101 YGNHLSOLUJKVDS-UHFFFAOYSA-N 282.771 3.725 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc(F)c(Cl)c1 334284634 BCLIJLDLJCBFRR-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1COCCC 190733190 YXSXOCSAXZOVOR-SFHVURJKSA-N 289.419 3.832 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2ccccc2OC)C1 424677126 GWWVBCMNOINKOO-AWEZNQCLSA-N 287.403 3.613 30 20 CHED C=CCSCCN[C@@H](C)CCc1c(F)cccc1F 510679323 FXAGXLXITIBXRZ-LBPRGKRZSA-N 285.403 3.795 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)CCCC(F)(F)F 427786830 HPGQUHVOPIDMHS-LLVKDONJSA-N 288.313 3.525 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C#N)c1 193871623 ANWZYJOJOGNPGL-IBGZPJMESA-N 292.382 3.734 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1sccc1C1CC1 331808517 WXPACRMLGQLTOI-OAHLLOKOSA-N 276.405 3.684 30 20 CHED N#CCC1CCN(C(=O)Nc2ccc3ccoc3c2)CC1 336567390 KGGGXXPUQHLDOU-UHFFFAOYSA-N 283.331 3.590 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccsc1 619749653 RQNJCNQCHOLTMW-JTQLQIEISA-N 271.345 3.502 30 20 CHED CCOc1cccc(NCc2ccc(C#N)c(OC)c2)c1 233810181 PESCLYDEWVITTL-UHFFFAOYSA-N 282.343 3.578 30 20 CHED O=C(/C=C\c1cccc(Cl)c1)c1cccc(O)c1 96792713 HWENTGQOATXSPU-FPLPWBNLSA-N 258.704 3.942 30 20 CHED CCC[C@@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1F 514932726 KZEBVAUCFMQQEW-BLLLJJGKSA-N 291.345 3.839 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1OC 518864388 YWFSFSPIQMNNFT-KBPBESRZSA-N 286.375 3.722 30 20 CHED N#CC1CCN(c2ccc3cc(F)cc(Cl)c3n2)CC1 335477293 MSAXHJRNFDLUMH-UHFFFAOYSA-N 289.741 3.767 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(OCCF)c1 439446147 QCLIXCFURYYCIP-GFCCVEGCSA-N 280.343 3.511 30 20 CHED C=CCC[C@@H](NCC1(N(C)C)CCCC1)c1ccco1 514083485 LLKDDELMTFCYOM-OAHLLOKOSA-N 276.424 3.751 30 20 CHED CC[C@H](/N=C(/O)c1cc(C)cc2c[nH]nc12)C(C)C 330438043 NNICLZQQFMSHMT-ZDUSSCGKSA-N 259.353 3.611 30 20 CHED Cc1cc(C)c(C(=O)NCC#Cc2cccc(F)c2)c(C)c1 513916821 NMMHHQKCNGFZKE-UHFFFAOYSA-N 295.357 3.532 30 20 CHED C=CCC[C@@H](NC[C@H](OC)c1ccc(F)cc1)C1CC1 90176717 XFQYSHOKCBYODB-SJORKVTESA-N 277.383 3.848 30 20 CHED C=CC[C@@H](C)N[C@H]1CCc2cc(Br)ccc2C1 163310175 GEIMLWGSFXWIGF-ABAIWWIYSA-N 294.236 3.861 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ncc(C(C)C)s1 439422205 PSOFCJFLKZIHEI-JTQLQIEISA-N 267.398 3.743 30 20 CHED CC[C@@H](NCc1ccc(CC#N)cc1)c1nc(C)cs1 347617855 NAANCKSAPCUVAD-OAHLLOKOSA-N 285.416 3.759 30 20 CHED C=CCCN(C)C(=O)c1cncc(-c2ccc(C)cc2)c1 344290980 NURZVWYNYMZHLI-UHFFFAOYSA-N 280.371 3.705 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 434420813 IDVZVHRWWZJZGD-IAQYHMDHSA-N 290.794 3.847 30 20 CHED C=C(C)[C@H](NC(=O)C1[C@@H]2CCC[C@@H]12)c1ccc(F)c(F)c1 248422632 DSDOLQBDIITTSB-HSMVNMDESA-N 291.341 3.744 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(C)(C)C 520640326 RSFKCTHQHWQBFA-CYBMUJFWSA-N 259.353 3.504 30 20 CHED Cc1nc(CNc2cccc(F)c2C#N)nc2ccccc12 523295516 QEJBMVPJXXUNIA-UHFFFAOYSA-N 292.317 3.561 30 20 CHED Cc1cc(NC(=O)NCC(C)(C)CCC#N)ccc1F 349258549 QXEXEIZIYLOUPQ-UHFFFAOYSA-N 277.343 3.586 30 20 CHED CCCOc1ccc(/C=C/c2ccncc2C#N)cc1OC 347433101 PGARMIDLTXNAFX-GQCTYLIASA-N 294.354 3.921 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc2[nH]ccc2cc1C 439373559 QCAQIKJMKDSCRO-ZDUSSCGKSA-N 271.364 3.953 30 20 CHED C=CCOCCCC(=O)Nc1nc(CC(C)(C)C)cs1 345428072 VCVHLJNTGFLMMM-UHFFFAOYSA-N 296.436 3.653 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H]1Cc1ccc(F)cc1 602449449 MNVMIFCSDJKOEV-YOEHRIQHSA-N 274.383 3.772 30 20 CHED CCc1cccnc1[C@H](C)NC1(c2cccc(C#N)c2)CC1 520623618 XVPWRDQKGAYUSV-AWEZNQCLSA-N 291.398 3.856 30 20 CHED C=CCCC(=O)Nc1cnn(-c2ccccc2)c1CCC 341540765 YWQVWBMJDHRWHT-UHFFFAOYSA-N 283.375 3.730 30 20 CHED CN(CCCc1cc(-c2ccccc2)no1)CC1(C#N)CC1 343323256 UIYWRZKEWVAYSW-UHFFFAOYSA-N 295.386 3.510 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1C[C@H]1c1ccccc1 342473985 LUZUFYMZFMISSB-MSOLQXFVSA-N 298.430 3.969 30 20 CHED C[C@H](C/N=C\c1ccccc1O)COCc1ccccc1 255061970 DIIWVYYCCWIMHJ-VUFYJBQKSA-N 283.371 3.664 30 20 CHED CCN(CCc1cccs1)Cc1ccc(CC#N)cc1 543132280 USABUXRMOFPZHP-UHFFFAOYSA-N 284.428 3.879 30 20 CHED CCc1ccccc1CN(C)Cc1ccc(C#N)cc1 527325171 NOUWBSGCUKNKRP-UHFFFAOYSA-N 264.372 3.753 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccc(C#N)s2)cc1 255842417 IQFVPSVGFNXAIB-KTKRTIGZSA-N 282.368 3.582 30 20 CHED C=C(CC)CN[C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 449736995 XQFCRSPPXOENIN-ZDUSSCGKSA-N 284.403 3.590 30 20 CHED C[C@@H](CCC#N)CN1CCc2cccc(Cl)c2C1 602691157 NHDJYPCQUAJJRY-LBPRGKRZSA-N 262.784 3.638 30 20 CHED C[C@H](CCC#N)CNCCc1nc(C(C)(C)C)cs1 602539099 CIKVNQZTWQUURD-GFCCVEGCSA-N 279.453 3.513 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccccc1Cl 184907303 ILJDINZKMKSSLU-NSHDSACASA-N 263.768 3.567 30 20 CHED Fc1ccc(C=NOCc2cc(-c3ccco3)on2)cc1 255330470 XKEXDCXUEWJVNK-UHFFFAOYSA-N 286.262 3.624 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[C@@H](C)C1 444142199 KGVOOEAVLXZWAX-WBVHZDCISA-N 286.419 3.615 30 20 CHED CC[C@](C)(NCc1cccc(C#N)c1F)c1nccs1 352892327 JSEHPDUEPSQDJQ-HNNXBMFYSA-N 289.379 3.569 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cc3occc3s2)n1 606146182 LJKYZRVMKAKUPO-MRVPVSSYSA-N 288.353 3.749 30 20 CHED C=C(C)[C@H](CC(=O)NCC1(C)CCCCCC1)OCC 537337799 CSHXGIWCBVHPLD-HNNXBMFYSA-N 281.440 3.834 30 20 CHED C=CCCN(C)Cc1cnc(-c2ccccc2F)s1 449268242 FJSIQSGUJCDZHS-UHFFFAOYSA-N 276.380 3.957 30 20 CHED CCN(CCC#N)C(=O)C(C)(C)c1cccc2ccccc12 448773415 UUZJOPXRXGBTCM-UHFFFAOYSA-N 294.398 3.880 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)CC1CCCCC1 446191030 FZCBELCTVFFJHQ-STQMWFEESA-N 252.402 3.609 30 20 CHED C=CCC[C@@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1ccco1 530399665 ACGMNMJLZIAAGQ-LXTVHRRPSA-N 263.381 3.833 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 355139162 WACPIAOZSFKMMR-SQWLQELKSA-N 272.392 3.625 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccccn2)CCCCC1 448743028 BNNIJXPHAGDDHJ-UHFFFAOYSA-N 272.392 3.567 30 20 CHED C=CCC1(CNCc2c[nH]nc2-c2cccnc2)CCCC1 449601854 BAYGYSZDESYMRO-UHFFFAOYSA-N 296.418 3.698 30 20 CHED CC[C@@H](NC[C@@H]1CCCCN1C1CC1)c1ccc(C#N)cc1 447600278 LQELCHJPBYCGEJ-RBUKOAKNSA-N 297.446 3.616 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N[C@H](CCCC#N)c1ccccc1 352173918 HXAQCTQRXQPVPL-JFIYKMOQSA-N 284.403 3.974 30 20 CHED CC[C@@H](NCCc1ccc(OC)cc1)c1ccc(C#N)cc1 447519934 RQGGXXWTKDFZAP-LJQANCHMSA-N 294.398 3.850 30 20 CHED N#Cc1ccc(SCc2ccc(Cl)cc2C#N)nc1 358680138 JAVSAZZUURROGQ-UHFFFAOYSA-N 285.759 3.771 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccc(F)cc1Cl 537230821 MBXIINFSIVQGTB-NSHDSACASA-N 283.774 3.883 30 20 CHED C=CCOCC(=O)N1CCC[C@H]1c1cccc2ccccc12 354712484 IOPPJFPDQBMSDD-SFHVURJKSA-N 295.382 3.706 30 20 CHED Cc1cc(CNC[C@H]2CSc3ccccc32)ccc1C#N 449364651 NWVJOEHAJJBOKB-INIZCTEOSA-N 294.423 3.846 30 20 CHED C=CC(C)(C)C(=O)N1CC2(CCC2)c2c(F)cccc21 448865378 NVWPRDXQPUFCDT-UHFFFAOYSA-N 273.351 3.806 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc2cc[nH]c12 618742416 YNBXKEPESYQSQO-GOSISDBHSA-N 287.366 3.817 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 619763386 HRTUKBFKCPRJSM-CZUORRHYSA-N 290.794 3.510 30 20 CHED Cc1ccccc1OCCN[C@H](C)c1ccc(C#N)c(F)c1 537406356 DDFORKYOOCUSIR-CQSZACIVSA-N 298.361 3.735 30 20 CHED C=CC[C@H]1CCCN(C(=O)COC/C=C/c2ccccc2)C1 617782317 CECZANBXAMLOGP-NUCSPZLJSA-N 299.414 3.531 30 20 CHED CC1CCN(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CC1 265621287 QOZOWHWPQQPOGA-UHFFFAOYSA-N 297.402 3.555 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 453325823 UNHWUWXBUKADNS-LBPRGKRZSA-N 272.392 3.533 30 20 CHED CN1Cc2ccccc2[C@H](Nc2ccc(Cl)cc2C#N)C1 535266403 UBHGGYDVMGKUGO-QGZVFWFLSA-N 297.789 3.810 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 612239027 FBUHTMJOJREJAY-HRCADAONSA-N 276.424 3.729 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 452717037 KKIPNBAUOGTCLZ-NSHDSACASA-N 285.309 3.891 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)NCC(C)(C)CC#N 457994857 PAGZFUQPIKKWGO-AWEZNQCLSA-N 272.392 3.545 30 20 CHED Cc1ccc(F)c(CNCc2ccc(C#N)c(Cl)c2)c1 619748348 BCVXANDAGJFWJP-UHFFFAOYSA-N 288.753 3.949 30 20 CHED Cc1nc(N[C@@H](C)c2ccncc2F)c(Cl)cc1C#N 360086090 YBIKGZKZNNRROP-VIFPVBQESA-N 290.729 3.622 30 20 CHED C[C@]1(NCc2ccc(C#N)s2)CCCc2ccccc21 543748000 BCNSWZVXELQKPI-KRWDZBQOSA-N 282.412 3.961 30 20 CHED Cc1ccnc(NC[C@H](C)c2ccc(F)cc2)c1C#N 541278510 MQXVNGLATVMLCH-LBPRGKRZSA-N 269.323 3.616 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)c(Br)c1 466660002 LXCACISJGMBSCV-UHFFFAOYSA-N 298.155 3.720 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 455278235 WJCZMKHKEWLRRK-JYJNAYRXSA-N 299.418 3.746 30 20 CHED Cc1ccc(CCC(=O)Nc2cccc(CC#N)c2)s1 456727705 BWMSIXMXDPORRR-UHFFFAOYSA-N 284.384 3.694 30 20 CHED C=CCN(CCc1ccco1)Cc1cnc(CC)s1 272555235 DIFHAOAHSJQOIE-UHFFFAOYSA-N 276.405 3.529 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cccc(C2CC2)c1 451117425 UQUHJNPAFDHPMS-CYBMUJFWSA-N 254.377 3.908 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 361482824 BJGZFBQIWBRQKG-MJBXVCDLSA-N 290.382 3.726 30 20 CHED C=CC(C)(C)CNC(=O)Cc1c[nH]c2cc(Cl)ccc12 452776516 RBNARLDSZDZCTN-UHFFFAOYSA-N 290.794 3.692 30 20 CHED C=CCC1(CNC(=O)[C@H]2OCCc3ccccc32)CCCC1 456487525 PPJAVPXHEZCQIU-KRWDZBQOSA-N 299.414 3.553 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1cc(F)ccc1Cl 549959759 RMGAPRWGGYKWGG-CQSZACIVSA-N 282.746 3.537 30 20 CHED COc1ccc2ccccc2c1CN1CCC(CC#N)CC1 542853906 LSVOAWOUEAMREZ-UHFFFAOYSA-N 294.398 3.974 30 20 CHED C=C[C@@H](CC(=O)N(C)c1ccnc(C)c1)c1ccccc1 361948042 OOHOWDRZXARDQQ-HNNXBMFYSA-N 280.371 3.713 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[C@H](C)C1 540645854 MRTXZGUUVKEDLG-KBPBESRZSA-N 275.367 3.777 30 20 CHED C=CCOCCCC(=O)N(CC)[C@H](C)c1ccc(F)cc1 361455508 DCOGXZGLXPOCIG-CQSZACIVSA-N 293.382 3.718 30 20 CHED C=CCN(C(=O)c1cc(Cl)cc(OC)c1)C(C)(C)C 622945409 CNDSRHQMOMUKFX-UHFFFAOYSA-N 281.783 3.775 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 458823845 CZLUUSGLRZEPPH-WMZOPIPTSA-N 286.419 3.788 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC(C)C)cc1C 545923580 FJCAWUNFQRXSSK-UHFFFAOYSA-N 273.376 3.914 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC(CCC(C)C)CC1 549291528 ZUWMONQPAAUZMT-UHFFFAOYSA-N 290.455 3.815 30 20 CHED C=CC[C@@H](CC)NCc1cc2cc(OC)ccc2o1 466385631 HWXSKDDWWFEOOB-CYBMUJFWSA-N 259.349 3.886 30 20 CHED C=CCN(C(=O)c1sc(CCC)nc1C)C(C)(C)C 622943438 BBXCAHYPPWCHCO-UHFFFAOYSA-N 280.437 3.831 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N(C)C1CCCC1 283029697 QCTOWUUMPBQTNL-UHFFFAOYSA-N 297.402 3.541 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2cscc2C)no1 288936756 APNVRVJGUFPZAH-AWEZNQCLSA-N 278.377 3.587 30 20 CHED CCCCCCCCC(=O)N1CC[C@H]([C@@H]2CCOC2)C1 378222793 IDTSGBYLPGMYTA-JKSUJKDBSA-N 281.440 3.622 30 20 CHED C=CCCC(=O)N([C@@H](C)COC)[C@H]1CCc2ccccc21 629749490 MYWLBTBSECSGSF-YOEHRIQHSA-N 287.403 3.504 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccccc1Oc1ccccc1 468756646 AITHDNUBLVMFOD-GOSISDBHSA-N 297.354 3.745 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(C)C)nc2)n1 285272848 YWBQQZFIMVWVRM-UHFFFAOYSA-N 257.337 3.764 30 20 CHED C=CCOc1ccc(CNC(=O)C2(CCC)CCC2)cc1 553051716 AGCUWULHBPTZLA-UHFFFAOYSA-N 287.403 3.838 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)CC(C)(C)C#N)c2ccccc21 280408902 HBUQPZGTUDGHBY-HZPDHXFCSA-N 284.403 3.927 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1c[nH]c2c(C)cccc12 281008774 FBVZQKBNUHZNKN-OAHLLOKOSA-N 284.403 3.880 30 20 CHED N#CC1(c2ccccc2)CCC(N[C@H]2C[C@@H]2C(F)F)CC1 554376609 CKXMBHZANVBYFR-GWUWNPHMSA-N 290.357 3.634 30 20 CHED CC#CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 555071772 VQVSDULIWUVLLU-CQSZACIVSA-N 267.294 3.769 30 20 CHED CC(C)O[C@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)C1(C)C 556606018 PUXCMHXVCGFJAB-IRXDYDNUSA-N 298.430 3.729 30 20 CHED Cc1cc(N2CCC[C@@H]2c2ccccc2C)cc(C#N)n1 557493686 SQCLPPHJJSYKSO-GOSISDBHSA-N 277.371 3.912 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)c1ccsc1 550350861 FYSVHILUQFOPLM-BLLLJJGKSA-N 290.432 3.830 30 20 CHED COc1ccc(C#N)cc1COc1cccc(OC(C)C)c1 552302987 NXNMCOCGSAWWRV-UHFFFAOYSA-N 297.354 3.933 30 20 CHED Cc1ccccc1[C@H](C)NC(=O)NCC1CCC(C#N)CC1 282322540 SMHVFACBPGCMLJ-FHERZECASA-N 299.418 3.685 30 20 CHED CC(C)(C)CSCC(=O)N(CCC#N)c1ccccc1 281375687 BQFPYZWYUUQHTI-UHFFFAOYSA-N 290.432 3.713 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)NCc1ccc(C#N)cc1 475059602 JEDQMADXLOHNHB-AWEZNQCLSA-N 299.418 3.716 30 20 CHED C=CCC1(C(=O)Nc2cccc3oc(C)nc23)CCC1 633345797 BFDDMGWCGAPYIK-UHFFFAOYSA-N 270.332 3.821 30 20 CHED C=CCN(CCOC)c1ccc2ccc(Cl)cc2n1 477722314 UHJJQZYEKXNIQF-UHFFFAOYSA-N 276.767 3.527 30 20 CHED Cc1c(NN=C[C@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] 800811913 NUHKOXHNKVBPGA-PWSUYJOCSA-N 261.325 3.737 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C 297698658 FSPJGPUDBSBFEX-DTWKUNHWSA-N 262.378 3.654 30 20 CHED C#C[C@@H](NC(=O)/C(C)=C\CC)c1ccc(Cl)cc1F 804420924 PXCBTMAAMNIGLL-LBIZBFCRSA-N 279.742 3.626 30 20 CHED C=CCOCCCC(=O)Nc1cc(C)c(OC)cc1Cl 290227200 VQHDCKOMEKXPAK-UHFFFAOYSA-N 297.782 3.578 30 20 CHED CCCc1csc(CN2CCCC(C)(C)[C@H]2C#N)n1 562488937 ISAUDOVFFNMTSM-CYBMUJFWSA-N 277.437 3.610 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1)C(C)(C)C 808316060 PDQDVBGENQKQJD-JKSUJKDBSA-N 284.403 3.581 30 20 CHED C[C@H](C#N)OCCN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 801925080 ZEEVJPWLDRRFAT-HZSPNIEDSA-N 294.826 3.692 30 20 CHED C=CCC[C@@H](C)N[C@H](CO)c1c(Cl)cccc1Cl 475638097 OCGALABPJJABOG-ZWNOBZJWSA-N 288.218 3.971 30 20 CHED C=CCCc1noc([C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)n1 297202103 GBZKGFXCCORGHO-ZJUUUORDSA-N 294.276 3.877 30 20 CHED CC#CC(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 801178290 HEMPGQVWWHCLBS-UHFFFAOYSA-N 283.415 3.893 30 20 CHED N#Cc1ncccc1SC[C@H]1CCC2(CCCC2)O1 569623848 PLECEZZMEOXKPF-GFCCVEGCSA-N 274.389 3.537 30 20 CHED CCCc1nnc(S)n1N=C[C@H]1CCC[C@@H](CC)C1 808009384 DIHGXPQFHHRIKU-NEPJUHHUSA-N 280.441 3.570 30 20 CHED C=C(C)CNC(=S)N1CC[C@@H](C(C)(C)C)C[C@H]1C 806605300 NGNNGWFXKAGJPB-CHWSQXEVSA-N 268.470 3.584 30 20 CHED Cc1ccc([C@@H](C)NCC(C)(C)CCC#N)c(O)c1C 806176249 KFOJRMCJPFWRLS-CQSZACIVSA-N 274.408 3.990 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1nccn1-c1ccccc1 803074255 LMTOERASSUFARM-HNNXBMFYSA-N 296.370 3.670 30 20 CHED C#Cc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1 809642627 LFKUIQPBOPSJMF-OAHLLOKOSA-N 278.399 3.585 30 20 CHED C#Cc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 809595048 COICRVGXZFAVHE-UHFFFAOYSA-N 298.389 3.829 30 20 CHED CC(C)Sc1ccc(Cl)cc1NC(=O)NCCC#N 488316913 HDNFZQSQQRXWLR-UHFFFAOYSA-N 297.811 3.876 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 812183213 FZWLYAAKILDXBM-RDTXWAMCSA-N 298.430 3.851 30 20 CHED CC(C)[C@@H]1CC(=NNc2cccc(F)c2[N+](=O)[O-])CS1 814919643 WIACUOINIWRBGO-LBPRGKRZSA-N 297.355 3.663 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1OC 488824891 JPYXGGZIWQVYMA-LBPRGKRZSA-N 279.767 3.529 30 20 CHED CC(C)(C)OC(=O)C1CCC(=NOCCC2CC2)CC1 814245784 IDOKMXCWOXJDLP-UHFFFAOYSA-N 281.396 3.691 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCCC2 488852341 KDQOXLCJOZBZRV-KRWDZBQOSA-N 269.388 3.746 30 20 CHED C#C[C@H](C)N(C)C(=O)NCC1CCC(c2ccccc2)CC1 812035636 KRFBARGOSJMOQJ-HJOIGYKYSA-N 298.430 3.624 30 20 CHED Cc1nc(N(Cc2c(F)cccc2F)C2CC2)ccc1C#N 487764794 WSNQCNUOIXNMHQ-UHFFFAOYSA-N 299.324 3.709 30 20 CHED C[C@@H]1C(=NNc2cccc(Cl)c2F)CC[C@@H]1CC(=O)O 814818709 FVVWFWIQQPUBTK-DTWKUNHWSA-N 298.745 3.768 30 20 CHED C=CCCCC[C@H](C)NC[C@@](C)(C(=O)O)c1ccccc1 650804657 IYOYXENFUJECFW-MAUKXSAKSA-N 289.419 3.753 30 20 CHED CCc1ccccc1NN=C1CCc2cccnc2CC1 817323110 HTHQDIXYPHCXOK-UHFFFAOYSA-N 279.387 3.991 30 20 CHED N#CCc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 577184808 TVWYALUNHLVGLT-UHFFFAOYSA-N 296.336 3.917 30 20 CHED Clc1ccnc(NN=Cc2ccc3[nH]ccc3c2)c1 811646587 FBVHKFGGKYOPSQ-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CC(C)(C)CC(=NNC[C@H]1CCSC1)C1CC1 811661401 KPFGKGUYLUWRKD-LLVKDONJSA-N 254.443 3.531 30 20 CHED C=CCC[C@@H](C(=O)N(C)[C@H]1CC1(C)C)c1ccccc1 489360971 SNEZLOWMOUPDEJ-CVEARBPZSA-N 271.404 3.993 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(F)c(C(=O)CC)c1 817457076 LBVYBTMLHVEPNC-UHFFFAOYSA-N 291.366 3.751 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CCc2ccccc2C1 571450788 WLPXXJYCEHWQSI-QGZVFWFLSA-N 298.430 3.770 30 20 CHED Cc1cccc(F)c1NN=Cc1cnc(C(C)(C)C)nc1 814905337 UDGJGDROTRNUKH-UHFFFAOYSA-N 286.354 3.668 30 20 CHED CC(CCCCCCC(=O)O)=NN[C@@H]1CCCC1(C)C 814917734 PULCMERZXBNUNQ-CQSZACIVSA-N 282.428 3.956 30 20 CHED CCCN(CC#N)C(=O)CCCCCc1ccc(F)cc1 488716292 RJBJSUPKHIRPOQ-UHFFFAOYSA-N 290.382 3.691 30 20 CHED C=CCN(C(=O)c1nc2cccnc2s1)c1ccccc1 571126317 BEUQPQYZGMUUCU-UHFFFAOYSA-N 295.367 3.524 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(Cl)cc(Cl)c1O 815905611 SUGSYPHTVFRQKX-UHFFFAOYSA-N 296.100 3.849 30 20 CHED COc1ccc(F)cc1/C=C1/Cc2c(F)cccc2C1=O 812242115 QVKUNPOZXWSSHJ-XFFZJAGNSA-N 286.277 3.796 30 20 CHED C=CC[C@@H](C(=O)N(C)Cc1ccoc1)c1ccccc1 488714216 TUBNFEWLOYOCNQ-MRXNPFEDSA-N 269.344 3.598 30 20 CHED CC(CSC(C)(C)C)=NNc1ccc(C#N)cc1 729637940 YKTUBWACWAJRKR-UHFFFAOYSA-N 261.394 3.878 30 20 CHED C=C[C@H](CC(=O)OC[C@@]1(C)C[C@H]1F)c1ccccc1 822121736 YTAFSLPNACVQDD-XNRPHZJLSA-N 262.324 3.638 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)CC1CC1 497632512 IDGSQLBNECVPTA-CQSZACIVSA-N 278.440 3.953 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccn(-c2ccccc2)n1 820450844 NPWDGZQQIBNPKJ-UHFFFAOYSA-N 284.359 3.518 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CCC[C@H]1CCC(C)C 727784026 ATEHJXLBNSYXQK-UONOGXRCSA-N 268.470 3.632 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccccc1OC 664470382 ZAZQTSZWGQXSIF-UHFFFAOYSA-N 262.353 3.562 30 20 CHED C#C[C@H](OC(=O)/C=C\c1ccccc1)c1ccccc1 821611522 JPQAVNHIFZUPAA-NJWFCXLTSA-N 262.308 3.618 30 20 CHED CC(C)(C#N)CCCOc1ccc2cnccc2c1 902639115 SXASPUFUGCQSMQ-UHFFFAOYSA-N 254.333 3.944 30 20 CHED C=CCn1c(N2CCCCC(C)(C)C2)nnc1C(C)(C)C 582090471 APEKSAIJPNTBIY-UHFFFAOYSA-N 290.455 3.778 30 20 CHED C#CC(C)(C)NC(=O)CCC(=O)c1ccc(CCCC)cc1 733976537 GGJYHBVBKMCHKB-UHFFFAOYSA-N 299.414 3.520 30 20 CHED C=CCC1(NC2CC(c3ccccc3)C2)CCOCC1 668552234 HQNYHXFXFJNGRO-UHFFFAOYSA-N 271.404 3.648 30 20 CHED CC(=NOCc1ccn(C(C)C)n1)c1ccc(F)cc1 902856448 MSMGDZMQYXBGIR-UHFFFAOYSA-N 275.327 3.544 30 20 CHED N#CC1(CCCCn2cc(-c3ccccc3)nn2)CCC1 900617772 QIQGJRHHLWCKGO-UHFFFAOYSA-N 280.375 3.809 30 20 CHED CCOC1CC(CSc2cccc(F)c2C#N)C1 582557620 OKHYZKNXWBVTDL-UHFFFAOYSA-N 265.353 3.605 30 20 CHED C=CCCCOc1ccc2c(CC)cc(=O)oc2c1 735414787 SNWPXEMLJFNSGT-UHFFFAOYSA-N 258.317 3.700 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@@H]1[C@@H](C)c1ccccc1 908644333 WNZOBTZRABBPFC-WMLDXEAASA-N 296.418 3.545 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(OC)c2)C1 664333728 RETJCVISUZLJQG-ZDUSSCGKSA-N 274.364 3.515 30 20 CHED N#Cc1c(F)cccc1SCc1cccc(C(=O)O)c1 739092671 HKLHLFLZMHPRRD-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C[C@@H](C(=O)Nc1cc2ccccc2cc1C#N)C1CC1 839434634 FFFKDBRQQXEFAM-LLVKDONJSA-N 264.328 3.696 30 20 CHED CCOc1ccc(NN=C(C)Cc2ccnc(OC)c2)cc1 834983870 VSNHAHVYFCVLKG-UHFFFAOYSA-N 299.374 3.519 30 20 CHED C[C@H]1CC=C(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CC1 835075924 AVHRJICILDFIDD-WCQYABFASA-N 280.327 3.750 30 20 CHED CC(CCc1ccccc1F)=NN[C@H](C)C(F)(F)F 834998997 AIBNBBGRRUSLIQ-SNVBAGLBSA-N 276.277 3.675 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccccc2OCC2CC2)C1 839052106 PERXCCMJUJUYLB-LSDHHAIUSA-N 299.370 3.715 30 20 CHED C=C(CNC(=O)CC1=CCCCC1)c1ccccc1 672479334 MNLLXBMOFLCORC-UHFFFAOYSA-N 255.361 3.707 30 20 CHED CN(CCC#N)c1ccc(CN(C)C2CC(C)(C)C2)cc1 839183495 XINIIPXRZHAPGJ-UHFFFAOYSA-N 285.435 3.657 30 20 CHED CCC(Cc1cccs1)=NNc1ccccc1C(=O)O 730947254 JYFJDQQYBXYDDS-UHFFFAOYSA-N 288.372 3.867 30 20 CHED C=CCN(Cc1cccs1)Cc1ccccc1C(=O)O 833376095 NKXODNWSLPDPFM-UHFFFAOYSA-N 287.384 3.635 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 672464104 MNPXDLJXODHIPC-MAUKXSAKSA-N 286.419 3.714 30 20 CHED C=CC(C)(C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 839289764 PYRDXTCXYFPDMV-UHFFFAOYSA-N 282.727 3.707 30 20 CHED C=CCONC(=O)NC1(c2cccc(Cl)c2)CCCC1 838709187 ROIFPQUGKCMRGV-UHFFFAOYSA-N 294.782 3.526 30 20 CHED CS[C@H](C)CCC(=O)N(CC#N)c1ccc(Cl)cc1 592651437 GAUKLPOVDFMVEA-LLVKDONJSA-N 296.823 3.728 30 20 CHED C#C[C@H](NC(=O)N1CCCC[C@H]1c1ccccc1)C(C)C 838598775 VKRROKUSPXIYQT-IRXDYDNUSA-N 284.403 3.581 30 20 CHED CC[C@H](C)NN=Cc1cc2ccccc2cc1OC 834973887 SBHUXUDFZHNLJH-LBPRGKRZSA-N 256.349 3.570 30 20 CHED CC(CC(C)(C)C)=NNc1ccc(C(=O)O)c(F)c1 835009398 RXKMGASBMVMURO-UHFFFAOYSA-N 266.316 3.748 30 20 CHED CCCCNN=Cc1ccc(-c2ccccc2F)o1 915970125 YSDOUYMYKRIHKP-UHFFFAOYSA-N 260.312 3.809 30 20 CHED C=CCN(Cn1nc(-c2cccs2)oc1=S)C(C)C 917481212 CXXZZVBVAARYIE-UHFFFAOYSA-N 295.433 3.788 30 20 CHED C#CC1CCN(Cc2nc(-c3ccccc3)cs2)CC1 830345592 JOIQNZIZWANGJG-UHFFFAOYSA-N 282.412 3.655 30 20 CHED C[C@H]1CCC[C@H](C)N(c2nc(C#N)c(Cl)s2)C1 596147080 RWUMXHMMUCLLBR-IUCAKERBSA-N 269.801 3.683 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1coc2ccc(Cl)cc12 593407677 OIGSNQNBEJTFEP-JTQLQIEISA-N 290.750 3.708 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(C(F)(F)F)ccc1C 746732356 WCKMNEBEGOFVDR-UHFFFAOYSA-N 292.688 3.888 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nnc(-c3ccccc3F)o2)C1 590711338 XBUFRQCVOYMAQT-ZJUUUORDSA-N 289.335 3.660 30 20 CHED C[C@@H](NN=C1CCC(F)(F)CC1)c1ccccc1 842525329 QAFOWSNPAFIBBY-LLVKDONJSA-N 252.308 3.903 30 20 CHED C=CCN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)C(C)C 742638383 CTYRJCPFGPRVNO-CMDGGOBGSA-N 292.448 3.877 30 20 CHED C#CCCCNC(=O)Nc1ccc(N2CCCCCC2)cc1 745899571 CHAUCFBJNMFXKO-UHFFFAOYSA-N 299.418 3.602 30 20 CHED N#CC1(CNCc2ccc(-c3cccs3)cc2)CC1 597122434 YBKYIKDJIPYNIH-UHFFFAOYSA-N 268.385 3.808 30 20 CHED C[C@]12CN(c3nc(C#N)c(Cl)s3)C[C@@H]1[C@@H]1CC[C@H]2C1 596260902 PDNRKQIFUTVVMR-QOBXEIRBSA-N 293.823 3.541 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@]1(c2ccccc2)CC1(C)C 598551484 SVFAUCDZOFISEF-GOSISDBHSA-N 294.354 3.515 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 591779865 PNRGDPDOKZENAU-BXUZGUMPSA-N 290.794 3.654 30 20 CHED C=CCC1(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CCCC1 598297069 VEZNKXRYXFFCKO-OAHLLOKOSA-N 296.414 3.742 30 20 CHED CCOc1ccc(C[C@H](C)CN[C@@H]2CC[C@@H](C#N)C2)cc1 590780362 ZEYPHBWAZRMOPT-USXIJHARSA-N 286.419 3.546 30 20 CHED CC/C(C)=C\C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842943102 PQDPEOFLSSSEKJ-WDDYJBPVSA-N 260.362 3.553 30 20 CHED C=CCC1(NC(=O)CC2(CSC)CC2)CCCC1 598296533 RDUUQVVXNOOJNJ-UHFFFAOYSA-N 267.438 3.525 30 20 CHED C=CCCCC(=O)O[C@H](C)c1nc(-c2ccccc2)no1 748228110 XTJSZYQSEILMJU-GFCCVEGCSA-N 286.331 3.697 30 20 CHED C[C@H](C#N)CNCc1ccc(-c2cccs2)cc1 597082193 GXIWQBXNBQGVQT-GFCCVEGCSA-N 256.374 3.664 30 20 CHED C=CCN(C(=O)N[C@@H]1C[C@H]1C1CCCCC1)C(C)C 745856239 CKCRLPXEKHZVCT-LSDHHAIUSA-N 264.413 3.561 30 20 CHED C=CC[C@H](C(=O)O[C@@H]1CCC(C)(C)C1=O)c1ccccc1 840475358 WUHLBICSXLHDFI-LSDHHAIUSA-N 286.371 3.647 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccnc1Cl)CC2 741849486 WACRPCLSZAVYTO-XFXZXTDPSA-N 299.757 3.956 30 20 CHED CC1(C)[C@H]2OCCC[C@H]2[C@H]1/N=C\c1cc(Cl)ccc1O 741465763 YCHUYTHKMUNLTE-MJMASDAKSA-N 293.794 3.668 30 20 CHED C=C[C@H](C)ON=Cc1cc2cnn(C(C)C)c2nc1Cl 844626137 YTCNBOZRPVKOKS-JTQLQIEISA-N 292.770 3.591 30 20 CHED CCOc1cccc([C@@H](C)NCC(C)(C)CC#N)c1 840786882 ULXGSCZYAQNHKO-CYBMUJFWSA-N 260.381 3.676 30 20 CHED COc1ccc(CNN=Cc2cc(C)c(C)cc2C)cc1 917549243 SXAGIGLAMIQDSO-UHFFFAOYSA-N 282.387 3.744 30 20 CHED N#Cc1ccc(-c2ccc(OC[C@H]3CCCO3)cc2)s1 592987780 BQSFYLJNCLBVCH-CQSZACIVSA-N 285.368 3.845 30 20 CHED C=C(C)CONC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 845607474 RHSNBMWJNIXRTD-CVEARBPZSA-N 288.391 3.520 30 20 CHED C=CCCOC(=O)CCc1c[nH]c2cc(C)ccc12 745756965 GMQPHIAMUURVLJ-UHFFFAOYSA-N 257.333 3.528 30 20 CHED CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cc(C)ccc1C 599645137 MXZCRAFFPQUZNS-NVXWUHKLSA-N 288.435 3.645 30 20 CHED CN(C)c1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1F 749004624 FDXSDTZFFJIHMN-QPEQYQDCSA-N 299.320 3.853 30 20 CHED CCOc1cccc(/C=N/[C@H](C)c2ccc(OC)cc2)c1O 745624967 QOFAZDXBGVXOKZ-KZKLBEMASA-N 299.370 3.980 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2ccccc2n1CC#N 598522926 SICBLICCLRUCQQ-UHFFFAOYSA-N 295.386 3.639 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)OCC(=O)c1cccc(C#N)c1 748257718 JKCSCOFSCQRBOA-ZFWWWQNUSA-N 299.370 3.501 30 20 CHED C=C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 591063634 PPLWUIKCBHFUSD-UHFFFAOYSA-N 257.377 3.776 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1nc(C)cc(C)c1C#N 598857778 IXEIWVMFWPOGQF-KBPBESRZSA-N 285.391 3.725 30 20 CHED Cc1cc(CN(C)C)cc(N[C@@H](C)CC(C)(C)C#N)c1 925952232 HYRSCBQFUQBKEM-AWEZNQCLSA-N 273.424 3.797 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(OC(C)(C)C)cc2)n(C)n1 841486457 FUSLPIQXZRPBFG-DHZHZOJOSA-N 298.386 3.802 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H]1CCCc2cccnc21 845645347 VYYQEPKWXSXAOI-CYBMUJFWSA-N 259.349 3.605 30 20 CHED C#CCN(C(=O)N[C@@H]1CCCC1(C)C)C1CCCCC1 750674330 FCQWQNOKYNLUOO-OAHLLOKOSA-N 276.424 3.543 30 20 CHED CC(CC1CC1)=NNc1ccc([N+](=O)[O-])cc1Cl 756826812 MFAQPHDOUAZOAV-UHFFFAOYSA-N 267.716 3.836 30 20 CHED C=CC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccncc1 925073170 BCNZRTYFHXQVTH-UKRRQHHQSA-N 257.381 3.617 30 20 CHED Fc1cc(C=NNc2ncccc2Cl)ccc1Cl 921258039 GUBLDOXDAWTAJU-UHFFFAOYSA-N 284.121 3.974 30 20 CHED N#Cc1ccc(Br)c(CN[C@H]2CC=CCC2)c1 921758420 XBIYSNGHASRRIG-ZDUSSCGKSA-N 291.192 3.519 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(CC)CCC#N)cc1 755404101 OZLPTKSRFKZVTK-ZDUSSCGKSA-N 258.365 3.576 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)c1ccccc1C(F)(F)F 753423705 GELWMCUKJSNMEW-NXEZZACHSA-N 285.265 3.654 30 20 CHED C=CC[C@@H](C)N[C@@H](c1ccccn1)c1ccccc1OC 925425417 FZUYKEZJKWOEDZ-RDTXWAMCSA-N 282.387 3.734 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)C1CCCC1 750689923 NUVRTRNZUUPPKH-YPMHNXCESA-N 282.343 3.830 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Cl)cc1OCC 759126594 GPHDBNNCKRVBQC-UHFFFAOYSA-N 284.812 3.601 30 20 CHED Cc1ccc(-c2nc(CON=CC3CC3)co2)cc1 853734745 IMGOLMQNVMAKKA-UHFFFAOYSA-N 256.305 3.562 30 20 CHED C#Cc1cccnc1N1CCC(c2ccc(F)cc2)CC1 853427000 GTTJNSAQYFTXSD-UHFFFAOYSA-N 280.346 3.586 30 20 CHED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCCC(C)(C)C)nc12 750721467 CROTXIQFCCLTJQ-LBPRGKRZSA-N 298.390 3.659 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H]1CCc2ccc(F)cc21)OCC 756569935 LOYDYOHOCMOFBH-HZPDHXFCSA-N 292.350 3.728 30 20 CHED C#CC[C@H](NCc1cc(F)ccc1F)c1ccccc1 756995913 MIALDZGOYDXXLE-KRWDZBQOSA-N 271.310 3.819 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc2c1OCO2 925184472 CWXYJIYYIGBMQJ-OLZOCXBDSA-N 294.354 3.699 30 20 CHED C[C@@H]1Cc2cc(CNc3ccc(CC#N)cc3)ccc2O1 921566695 XBVBKBDQZCFLIA-CYBMUJFWSA-N 278.355 3.688 30 20 CHED Cc1cccc(C)c1/C=C\C(=O)c1ccc(CC(=O)O)cc1 755586161 IGELLNWLGQJDES-KHPPLWFESA-N 294.350 3.827 30 20 CHED CCC(=CC(=O)O[C@H](C)c1ccc(C#N)cc1)CC 759471406 DBUQYCOFFUDJKV-GFCCVEGCSA-N 257.333 3.909 30 20 CHED COc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)c(Cl)c1 851210092 NQFOWLZHFXMWLM-SNVBAGLBSA-N 295.766 3.834 30 20 CHED CC(C)CN(CCC#N)C(=O)CC1CCC(C)(C)CC1 751750088 LOEGHEWGJHIBOI-UHFFFAOYSA-N 278.440 3.991 30 20 CHED Cc1c(C(=O)OC2(C#N)CCC2)cccc1-c1ccccn1 755096199 PBUJSPGGNGTSTA-UHFFFAOYSA-N 292.338 3.660 30 20 CHED CCCOc1ccc(NC(=O)CC(C)(C)C#N)cc1C 863528877 CVBCNRSMYBEBJG-UHFFFAOYSA-N 274.364 3.662 30 20 CHED C=C1CCN(C(=O)Nc2ccc3sc(C)nc3c2)CC1 930767230 DTUPFNLPXDTFOG-UHFFFAOYSA-N 287.388 3.789 30 20 CHED N#C[C@@H]1CCCN(Cc2ccccc2Oc2cccnc2)C1 932156339 BJMXRZXNAKRIKE-HNNXBMFYSA-N 293.370 3.609 30 20 CHED Cc1cc(Cl)ccc1C=NNc1nccnc1Cl 767377163 GPLORDZYHXPXJR-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CC[C@H]1CCCC1=NNc1ccc(OC)cc1[N+](=O)[O-] 767802935 CBRHDSBSRQHOPR-JTQLQIEISA-N 277.324 3.581 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@@H](C)C(CC)CC 761743381 SRDOGBGEXCLIAC-LBPRGKRZSA-N 291.366 3.849 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 933145411 HFSZXIGKIATLQV-IUODEOHRSA-N 286.375 3.582 30 20 CHED CC#CCCCC(=O)Oc1ccc(Cl)cc1C 767046835 MMDZXUJSOHNHRQ-UHFFFAOYSA-N 250.725 3.747 30 20 CHED CCC[C@@H](C)c1noc(-c2ccc(C=NOC)cc2)n1 761855185 SYMUDQXYTYEDBT-LLVKDONJSA-N 273.336 3.621 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)CCCC(F)(F)F 860673052 XZGMQZKYNYJQPR-SNVBAGLBSA-N 279.302 3.981 30 20 CHED CC(C)c1nocc1C(=O)O[C@@H](C)c1cccc(C#N)c1 860229328 ILVVBDONURJWGO-NSHDSACASA-N 284.315 3.588 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2cccc3[nH]ccc23)c1 768380526 QESFCFCCLQGRLD-UHFFFAOYSA-N 295.733 3.534 30 20 CHED C=CCCCOC(=O)c1cnn(CC(C)C)c1C1CC1 768648917 ALXGOKHNZCNLOW-UHFFFAOYSA-N 276.380 3.540 30 20 CHED C=C(C)CNC(=O)N(CC)Cc1ccc(Cl)s1 156490762 NHJCIOQZCPGVFU-UHFFFAOYSA-N 272.801 3.509 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C\c1ccc(SC)s1 861512647 OEFQWUQDQGEQBF-GXMKHXEJSA-N 281.446 3.954 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(Br)c(Cl)c1 769962280 DUSUAYHMKNSAHN-SECBINFHSA-N 286.600 3.556 30 20 CHED C#CCCc1noc(COc2ccccc2C(C)(C)C)n1 762002860 ZVJHVPXEIQQIHP-UHFFFAOYSA-N 284.359 3.512 30 20 CHED C#C[C@@H](C)N(C)C(=O)C1(c2c(Cl)cccc2Cl)CC1 767252959 IOFRUUCTYWIRPM-SNVBAGLBSA-N 296.197 3.505 30 20 CHED C#C[C@H](OC(=O)[C@@H](C)C(C)(F)F)c1ccc(C)cc1 860963196 QYVZGQOEEMLJRL-YPMHNXCESA-N 266.287 3.504 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(C)ccc1F 860200216 QJYYKUMEZJZKHN-UHFFFAOYSA-N 263.312 3.507 30 20 CHED C#CCCCN(CCC)[C@@H](C)c1ccccc1OC 766896162 QQFLWMDJXWYQQK-HNNXBMFYSA-N 259.393 3.882 30 20 CHED CCC(C)(CC)C(=O)OCc1ccc(C#N)cc1C 767101290 TXRRQERUVASBKY-UHFFFAOYSA-N 259.349 3.736 30 20 CHED Cc1cccc(N(CC(C)(C)C)C(=O)CC(C)(C)C#N)n1 1119405104 NVGWQAPOYHRSSV-UHFFFAOYSA-N 287.407 3.709 30 20 CHED C[C@H](c1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 1117214445 SDWGAYODUNZJMT-NSHDSACASA-N 267.332 3.902 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1c(C)cccc1Cl 879212263 DPMKNOYSAVDNCK-AWEZNQCLSA-N 264.756 3.572 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1ccc(C(F)(F)F)cc1 776366588 OVOPEGDLPWSLSO-UHFFFAOYSA-N 299.292 3.731 30 20 CHED Cc1cc(C)cc(NC(=O)Cc2ccccc2CC#N)c1 776735816 YCQLIDALPBUOOE-UHFFFAOYSA-N 278.355 3.551 30 20 CHED C[C@H](Cc1ccco1)N[C@@H]1CCCc2cc(C#N)ccc21 775362917 JQOYZZDEJKHCRG-FZKQIMNGSA-N 280.371 3.749 30 20 CHED C=C(CC)COC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 773529952 LEXRAGPYMAOQRQ-LBPRGKRZSA-N 289.158 3.536 30 20 CHED C(=NNC1CCCC1)c1ccc(Oc2ccccc2)o1 779774662 ZGAMMUJBQRWWBQ-UHFFFAOYSA-N 270.332 3.938 30 20 CHED Cc1cc(COC(=O)c2cccc(C#N)c2C)cs1 1117570228 BBWSJZKUKRZXIL-UHFFFAOYSA-N 271.341 3.594 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1cnc(C)s1 870511800 OAMORMLWCZJOFK-NSHDSACASA-N 268.426 3.989 30 20 CHED CCC(=O)c1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1 776397880 QMLUXNOPNQTJIQ-QGZVFWFLSA-N 299.370 3.909 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccccn1 1120813693 KTMASPMBFSWFMI-KGLIPLIRSA-N 290.432 3.519 30 20 CHED Cc1cc(CN2CC[C@@H](C(C)(C)C)C2)ccc1C#N 1560704932 AOKBFILJJLSHOF-MRXNPFEDSA-N 256.393 3.735 30 20 CHED C=C1CCC(C(=O)Oc2ccc(C(C)=O)cc2)CC1 887591436 OJXTZVHGNMOQBF-UHFFFAOYSA-N 258.317 3.541 30 20 CHED C=C1CCC(C(=O)OCc2ncc(Cl)s2)CC1 885652243 PYMRPURBXFXEMJ-UHFFFAOYSA-N 271.769 3.586 30 20 CHED CCC1(CNC(=O)c2cc(C#N)ccc2C)CCCC1 1127142661 WUKFPAODNYNWDH-UHFFFAOYSA-N 270.376 3.567 30 20 CHED C=C(C)CN(C)CC(=O)Nc1ccc(-c2ccccc2)cc1 778232294 PQTWZQICDZVVSU-UHFFFAOYSA-N 294.398 3.800 30 20 CHED C=CCCOCCCCC(=O)O[C@@H]1CCC[C@@H](C)C1 776083510 XGVUUDPDZPOARN-HUUCEWRRSA-N 268.397 3.871 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(C)c(C)cc2C)n(C)n1 789160175 UHFHPKCLJSHCDD-SREVYHEPSA-N 268.360 3.550 30 20 CHED Clc1csc(C=NNc2nc3ccccc3[nH]2)c1 782126773 CGFTYMQUEYJFKN-UHFFFAOYSA-N 276.752 3.724 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(c2ccc(C#N)cc2)CC1 887697974 YPENZHQRAOFAJR-UHFFFAOYSA-N 296.414 3.867 30 20 CHED CSc1ccccc1COC(=O)Cc1ccc(C#N)cc1 781239646 NRFQDMGFRGLPTR-UHFFFAOYSA-N 297.379 3.566 30 20 CHED C#CC[C@@H](C)OC(=O)c1sc(-c2ccccc2C)nc1C 1122720853 NLPWSDSSIFCREZ-GFCCVEGCSA-N 299.395 3.996 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc2c(c1)CCC=C2 786544252 ZVBYAVHVDGDRFD-UHFFFAOYSA-N 269.344 3.743 30 20 CHED CCc1ccc(NCc2cccc(OCCCC#N)c2)nc1 883385032 DAVRJVUGKCQMLE-UHFFFAOYSA-N 295.386 3.939 30 20 CHED C=C(C)[C@H](N[C@H]1CC[C@@H]1C)c1ccc(F)c(F)c1 783295300 SHDXOPVUINEONA-LKTVYLICSA-N 251.320 3.970 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)/C(F)=C\C1CCCCC1 1123337431 QNURJRKHVZFWOK-LFGHMXSPSA-N 289.354 3.513 30 20 CHED Fc1ccc(C=NNC2CCCCC2)c2ncccc12 786042408 VHSKSSHVSLGCFT-UHFFFAOYSA-N 271.339 3.630 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)c(CO)c1 893975056 WUENUMOTUPFKDL-CZIWCDLHSA-N 296.345 3.548 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2ccc(Cl)nn2)C1 783777986 OAUBYCKYYLKWPL-QWRGUYRKSA-N 266.776 3.744 30 20 CHED COc1ccc(NN=Cc2c[nH]nc2-c2ccsc2)cc1 780237451 PUDYRPKQMHLUQT-UHFFFAOYSA-N 298.371 3.593 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(O)ccc1Cl 785866218 DXPBCXUZBVNIKO-UHFFFAOYSA-N 295.766 3.922 30 20 CHED Fc1ccccc1CCNN=Cc1cc(Cl)cs1 782252432 JDYAJLPMHIOFQY-UHFFFAOYSA-N 282.771 3.707 30 20 CHED CC(C)Oc1cccc([C@@H](C)OC(=O)c2ccc(C#N)[nH]2)c1 781674929 YSHTVWRZFOIDDO-GFCCVEGCSA-N 298.342 3.592 30 20 CHED COCC(=NNc1nc2ccccc2s1)C1CCCC1 780186336 HCHSIEOYPHFDQU-UHFFFAOYSA-N 289.404 3.901 30 20 CHED CCc1onc(C)c1/C=C1\CCc2cc(OC)ccc2C1=O 899341204 WOBBFEFCMNVLGI-JLHYYAGUSA-N 297.354 3.767 30 20 CHED CC(C)(C#N)CC(=O)OCc1c(Cl)cccc1Cl 785077046 HKBQAJUNUBGUDQ-UHFFFAOYSA-N 286.158 3.976 30 20 CHED C#CC[C@H](Nc1nc(C)nc2c1CCCC2)c1ccccc1 782150608 NYSONPIMJXXGPB-KRWDZBQOSA-N 291.398 3.840 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 792480387 HXYWTPRWLLTZCY-YOEHRIQHSA-N 295.382 3.525 30 20 CHED Clc1ccc(NN=CCC2CCCCCC2)nn1 799104279 OJTXGEDFKDDAME-UHFFFAOYSA-N 266.776 3.888 30 20 CHED C=C1CC(c2noc([C@H](O)[C@@H](C)c3ccc(C)cc3)n2)C1 896875674 KQEQPUHZKBPFRL-SWLSCSKDSA-N 284.359 3.649 30 20 CHED CCCCCCCCCNC(=O)NC[C@H]1CCSC1 790543480 UEGTWUQDSUDUPS-CQSZACIVSA-N 286.485 3.789 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(C#N)c(OC)c2)o1 799497470 RIOFABVIBXQMBD-YVMONPNESA-N 281.311 3.618 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2ccc(C)c(C#N)c2)C1 799650704 LONXJVHUXDMWJH-GOSISDBHSA-N 284.403 3.909 30 20 CHED C=CCCCCCOC(=O)C[C@H]1CCC[C@@H](OC)C1 796070235 VWCSWMHDAZUWLK-LSDHHAIUSA-N 268.397 3.871 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)[C@@H](C)c2ccccc2)n1 1306986485 PAPJFJHXYULBLK-CHWSQXEVSA-N 280.375 3.515 30 20 CHED N#Cc1sc(NC[C@H]2CCC[C@H]2C2CC2)nc1Cl 1307141401 MDTMBGPYLSDVAH-ZJUUUORDSA-N 281.812 3.906 30 20 CHED CC1(C(=O)Nc2cc(F)cc(C#N)c2)CCCCCC1 1462170610 LLGRJYHGSXXTBJ-UHFFFAOYSA-N 274.339 3.996 30 20 CHED CC(C)(CC1CCCCCC1)N=c1cc[nH]c(C#N)c1 1163069552 MDOKHRQTBJFYLB-UHFFFAOYSA-N 271.408 3.926 30 20 CHED CC(C)(NC(=O)c1ccc(C#N)s1)C1CCCCC1 1318950375 XUPSANMIYMBXHN-UHFFFAOYSA-N 276.405 3.708 30 20 CHED CC(C)(C)[C@H]1CCCN(CCCSCC#N)CC1 80628916 BMPFHUCNOYPYAU-AWEZNQCLSA-N 268.470 3.781 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2ccco2)c1 83201388 JFDQZAYOZMVXKU-CMDGGOBGSA-N 256.301 3.963 30 20 CHED N#Cc1cccc(-c2cc(-c3nnc(C4CCC4)o3)on2)c1 1326106362 JCOKPLFMGXGDQU-UHFFFAOYSA-N 292.298 3.531 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C 702274203 DMLXQKQPWFGJTM-LBPRGKRZSA-N 264.756 3.509 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ncc(Cl)cc1Cl 602232921 HCONRBXHSHVSJW-UHFFFAOYSA-N 286.162 3.657 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C\c1ccc(F)nc1)C2=O 1321464896 VQKWAHVLAZSRDL-CEXMDJMXSA-N 283.302 3.618 30 20 CHED CCCCCCC[C@H](C)NC[C@H]1CCCN(C)C1 105935881 ILEIBJKSHIMRSS-JKSUJKDBSA-N 254.462 3.667 30 20 CHED CC[C@@H](C#N)C(=O)NC1CCC(C(C)(C)CC)CC1 593388430 HREDZOODXLJSJY-HSBZDZAISA-N 264.413 3.647 30 20 CHED CCc1nnc(-c2cccc(Oc3ccc(C#N)cc3)c2)o1 1322071238 YEEQZXYCGUKNJB-UHFFFAOYSA-N 291.310 3.963 30 20 CHED C=C[C@@H](COC)N[C@@H]1CCCc2ccc(SC)cc21 1328399777 JVZQBBPHLAVSII-XJKSGUPXSA-N 277.433 3.577 30 20 CHED C=C(Cl)CNC(=O)Nc1c(C)cc(Cl)cc1C 1253604925 VSKDPDKAXGFLSF-UHFFFAOYSA-N 273.163 3.831 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C#N)C1CCCC1)c1ccccc1 1331552455 NBAWDMJCZTUWQM-PBHICJAKSA-N 282.387 3.545 30 20 CHED C=C(C)CCC(=O)NCc1cccc(C(F)(F)F)c1 1336423008 FWXGVCOBUJDDDX-UHFFFAOYSA-N 271.282 3.678 30 20 CHED CC[C@H]1CO[C@H](CC)CN1CCC1(C#N)CCCCC1 1195863066 PWRRGDWKCPPWPV-JKSUJKDBSA-N 278.440 3.740 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1ccccc1Cl 1345654917 WUDNNHMNUBZFRK-CQSZACIVSA-N 263.768 3.970 30 20 CHED CCN(Cc1ccc(F)cc1C#N)c1ccccc1F 1191840304 VPMAVXUMDYIZJU-UHFFFAOYSA-N 272.298 3.863 30 20 CHED Cc1cc(C)c(C(=O)O[C@@H](CC#N)c2ccco2)s1 1346705672 ACZIMXZPIHRGLU-LBPRGKRZSA-N 275.329 3.770 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2C[C@H]3CCC[C@H](C2)C3)n1 1263137412 FZPYVHBJLKHWCR-OBJOEFQTSA-N 288.416 3.844 30 20 CHED CS[C@@H](C)CC(=O)N(c1cccc(C#N)c1)C1CCC1 1262101050 LTVIQYFQLWXDGO-LBPRGKRZSA-N 288.416 3.585 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1C 1344659643 ZETIOXVCQLPTKV-HNNXBMFYSA-N 283.375 3.829 30 20 CHED N#C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)s2)C1 1352125201 NHKLITOAKMNZPB-ZDUSSCGKSA-N 296.395 3.791 30 20 CHED CCC(CC)CN(CC)C(=O)[C@H](CC#N)c1ccccc1 1355094501 IKCGFCYBWXUASK-QGZVFWFLSA-N 286.419 3.969 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 1525933573 HTCZWNYHVMCYSJ-UHFFFAOYSA-N 295.729 3.530 30 20 CHED N#Cc1sccc1C(=O)Nc1ccccc1C(F)F 1529350780 VYGZORFVJHJIHW-UHFFFAOYSA-N 278.283 3.810 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cc(F)ccc1Cl 1529841949 YEAYUVQGINVKCC-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccsc2C#N)CC1 1529481317 XMDPHZYAKTYUDZ-GFCCVEGCSA-N 290.432 3.908 30 20 CHED CC(C)c1ccc(Sc2ccc(C(=O)O)nc2C#N)cc1 1604005331 LSXRSFGDAQILBM-UHFFFAOYSA-N 298.367 3.926 30 20 CHED CCCC[C@@H](SCc1ccc(C#N)cc1F)C(=O)O 1605252453 ZWDOMGMOOTYZJH-CYBMUJFWSA-N 281.352 3.574 30 20 CHED CC1(C)CCC[C@@H](OC(=O)Cc2cccc(C#N)c2)C1 1527731788 FNCSJZRPOTWWQE-OAHLLOKOSA-N 271.360 3.613 30 20 CHED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1ccc(C(C)(C)C#N)cc1 1461768746 VITRSACLHBBQNZ-VDNDLQMASA-N 268.404 3.622 30 20 CHED Cc1ccc(N(C)Cc2cccc(C(=O)O)c2C#N)cc1C 1607792297 XEFNLJYJKJFBOX-UHFFFAOYSA-N 294.354 3.510 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc(C(=O)O)cc1 1600430455 PHRRSNHEEYAKSH-CLFYSBASSA-N 284.286 3.728 30 20 CHED C[C@H]1CCCC[C@@H]1Nc1ncc(C#N)cc1Br 1611725241 XESDPWLBIDKMMO-CABZTGNLSA-N 294.196 3.706 30 20 CHED C=C(Cl)COC(=O)c1ccc(Br)cc1C 917320591 RFDABXLWHHRJEU-UHFFFAOYSA-N 289.556 3.667 30 20 CHED C=C(CC)C(=O)N[C@H]1CCCc2sc(Cl)cc21 1548708234 LWTIPPMLUMWVQC-JTQLQIEISA-N 269.797 3.861 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C)c1ccccc1 1564052497 SWZJMHMACIDLAW-JKIFEVAISA-N 286.419 3.824 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@]1(C)CC(C)C 1645784369 VOGBUNRFMKTJHM-GOSISDBHSA-N 286.419 3.967 30 20 CHED CC(C)(CO)CSc1nc(-c2ccccc2)ccc1C#N 1652658195 MFEQMLBPAREKGG-UHFFFAOYSA-N 298.411 3.731 30 20 CHED C=CCCCC(=O)Nc1ccc(C(=O)O)c2ccccc12 1588782832 NUMGSXGABYECDE-UHFFFAOYSA-N 283.327 3.833 30 20 CHED CC[C@@H]1CCC[C@H](C)N1CCC(=O)Nc1ccc(C#N)cc1 1654307780 WHMCBXJYXCSFPS-WMLDXEAASA-N 299.418 3.540 30 20 CHED C=CC[C@H](N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)C(=O)O 1588747023 YBVWVCPBOHRCEX-UONOGXRCSA-N 297.757 3.549 30 20 CHED CCCC[C@@H](SCc1ccc(CC#N)cc1)C(=O)O 1595656781 ASQRTCWIYYZHOO-CQSZACIVSA-N 277.389 3.629 30 20 CHED C[C@@H]1CN(C(=O)Nc2cc(F)cc(C#N)c2)c2ccccc21 1664072402 WFZRHCWMWTUFHJ-LLVKDONJSA-N 295.317 3.853 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCCC(C)(C)C2CC2)c1 1670905716 NIJDBKOIBVVMLS-UHFFFAOYSA-N 285.391 3.815 30 20 CHED Cc1c(NN=C2CC[C@H]3[C@@H](C2)C3(F)F)cccc1C(=O)O 1776089352 OCOPIXYIZHLBPF-NWDGAFQWSA-N 294.301 3.526 30 20 CHED C=C(C)CCCN1CCC([C@H]2CCC[C@H]2C(=O)O)CC1 1776138738 KMOAPNQNDSRBAY-HZPDHXFCSA-N 279.424 3.556 30 20 CHED C=CCCCCN(C)[C@@H](C(=O)O)c1ccc(F)cc1C 1776173698 XIHOWRCTEWSOSK-OAHLLOKOSA-N 279.355 3.548 30 20 CHED C=CCC[C@@H](C)N1CC[C@H](c2ccccc2C(=O)O)C1 1776165871 JBTHZCXGDWHAPU-KGLIPLIRSA-N 273.376 3.529 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1ccnc(F)c1 1776787009 IIURGFPVUJAQAZ-CQSZACIVSA-N 296.386 3.514 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1C 11331233 LAASPAVWTHIUHY-VZUCSPMQSA-N 295.382 3.966 30 20 CHED C=CCN(CC=C)C(=S)Nc1cccc(C)c1C 13824148 CFVWNQZNYXMDPV-UHFFFAOYSA-N 260.406 3.674 30 20 CHED O=C(/C=C\c1ccccc1F)c1ccc([N+](=O)[O-])cc1 17188611 WYZNBSVYZOTWGY-YFHOEESVSA-N 271.247 3.630 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)CCC(C)(C)C 153847940 XGAFNKOQYCWAGN-CYBMUJFWSA-N 252.402 3.585 30 20 CHED C=CCCCCCN(C)C(=O)Cc1noc2ccccc12 156831587 SIDVCVWMCOJTHR-UHFFFAOYSA-N 286.375 3.575 30 20 CHED N#Cc1ccc(COc2ccc(C=O)cc2F)c(Cl)c1 220979668 QSUTYPDDCKRWAK-UHFFFAOYSA-N 289.693 3.742 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 112204189 PFHXQLDKMYGIDJ-RYUDHWBXSA-N 290.329 3.506 30 20 CHED N#Cc1ccc(CNCCSc2ccccc2)c(F)c1 37856621 ZUSACJUTLQKGEU-UHFFFAOYSA-N 286.375 3.579 30 20 CHED N#Cc1ccc(CNc2ccc(C(F)(F)F)nc2)s1 169057729 KGPIKEFRMVAODR-UHFFFAOYSA-N 283.278 3.646 30 20 CHED Cc1cc(C#N)ccc1COc1cccc(F)c1F 165561097 VSVGUERGHXTETF-UHFFFAOYSA-N 259.255 3.724 30 20 CHED Cc1cccc(SCC(=O)Nc2cccc(C#N)c2)c1 40696085 ANNWTLKHCJSHOU-UHFFFAOYSA-N 282.368 3.598 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(OC(F)F)cc1 44765434 DMXFSKANHPFAMA-UHFFFAOYSA-N 282.290 3.556 30 20 CHED Cc1ncc(CN(C)c2ccc(Cl)cc2C#N)s1 171562913 GXNZUMPBTAXAAL-UHFFFAOYSA-N 277.780 3.613 30 20 CHED Cc1cc(F)ccc1CN[C@@H](C)c1ccc(C#N)cc1 50575232 FYSPCQGOWOINQL-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(F)c(Cl)c2)c1 308197724 NVKXYBUATVKKPA-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCCCN[C@@H]1CCCN(Cc2ccccc2)C1 309748107 VDJQNCCNQYKWIA-GOSISDBHSA-N 272.436 3.597 30 20 CHED N#Cc1ccc(N2CCC[C@@H](OC3CCC3)C2)cc1Cl 594595157 URTNJLARBHPDEC-OAHLLOKOSA-N 290.794 3.750 30 20 CHED C=CCSCCN[C@@H](C)[C@@H]1CC2CCC1CC2 394212035 BURWLYKNWJBEPY-PPWQZUPISA-N 253.455 3.710 30 20 CHED C[C@H]1CC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)O1 397963274 WFVMYQXSWHNGQT-CABZTGNLSA-N 284.281 3.556 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C(C)=C(C)C 791864919 NNDUPYJXDIOFNG-UHFFFAOYSA-N 257.377 3.948 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2c2ccccc2)c1 10089701 XBFFSUBDPHCDFD-GOSISDBHSA-N 262.356 3.895 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2cccc(C#N)c2)o1 16433548 ZHQREFZWTPESSB-CXAGYDPISA-N 280.371 3.907 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1 22877680 RZBRRNNGWUFOPA-QGZVFWFLSA-N 276.339 3.536 30 20 CHED Cc1sc(NC(=O)CCc2cccs2)c(C#N)c1C 32892940 SWCPLMNLJCSXHT-UHFFFAOYSA-N 290.413 3.869 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 33472162 QJYMIWOTPBPLIH-YHYXMXQVSA-N 251.260 3.593 30 20 CHED N#Cc1ccc(OCCCSc2ccccn2)cc1 37143616 GXRLQNKXOPFRQD-UHFFFAOYSA-N 270.357 3.514 30 20 CHED COc1cccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)c1 48578959 IFXTVSBNLIQSQU-AATRIKPKSA-N 289.312 3.561 30 20 CHED Cc1cc(/C=C/C(=O)C2CCCCC2)ccc1-n1cncn1 78693323 FKAKQOJJPHOFEC-CSKARUKUSA-N 295.386 3.738 30 20 CHED C=CCOc1ccc(OC(=O)c2ccnc(Cl)c2)cc1 81324065 GATLBNLQIGFMCT-UHFFFAOYSA-N 289.718 3.519 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 85491176 RGQRTKFZHGYXJX-MRXNPFEDSA-N 285.387 3.607 30 20 CHED N#CCCSc1ccccc1NC(=O)C=C1CCC1 87259115 RXHGWIOVJPJXJP-UHFFFAOYSA-N 272.373 3.741 30 20 CHED CC(C)(CCC#N)CNCC1(c2ccc(F)cc2F)CC1 90227512 FTIMFXWWVXCKGV-UHFFFAOYSA-N 292.373 3.916 30 20 CHED CC(C)CN(Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 92008923 FNAIWMLWSFYSJY-CQSZACIVSA-N 272.392 3.598 30 20 CHED C=CCOc1cccc(NC(=O)c2cnn(C(C)C)c2C)c1 92337029 NZFFEHGYRXBIEW-UHFFFAOYSA-N 299.374 3.590 30 20 CHED C#Cc1cccc(N(C(=O)c2ccoc2C)C(C)C)c1 102909194 QDDHFWNFWFQRFU-UHFFFAOYSA-N 267.328 3.625 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(SC)cc2)c1 103032608 QKUKDJPHIJBENU-UHFFFAOYSA-N 281.380 3.666 30 20 CHED C[C@@H](Nc1cccc2c1OCCO2)c1ccc(C#N)cc1 118443202 QFVGVIFPGKBTRB-GFCCVEGCSA-N 280.327 3.503 30 20 CHED CC(=O)c1ccc(OCCCC(C)(C)C#N)c([N+](=O)[O-])c1 119125004 MFHODZOLSDPEBJ-UHFFFAOYSA-N 290.319 3.506 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 119910422 FUPHPYRBLHCSAC-FUHWJXTLSA-N 283.415 3.832 30 20 CHED Cc1c([C@@H](C)NCC(C)(C)C#N)oc2ccccc12 122252177 CZJLMEFLWBSECT-GFCCVEGCSA-N 256.349 3.942 30 20 CHED CC[C@H](C)CSCc1nnc(-c2ccc(C#N)cc2)o1 124406224 FFLWVIKXUOVVOK-NSHDSACASA-N 287.388 3.888 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H](C)c1ccsc1 131432572 BASHXXGQGDUAFI-LBPRGKRZSA-N 285.368 3.775 30 20 CHED C=C[C@@H](CC(=O)Oc1ccc2cn[nH]c2c1)c1ccccc1 131997539 KKZXAQBKNQABRQ-ZDUSSCGKSA-N 292.338 3.828 30 20 CHED C=CCCCNc1ccc(F)c(Br)c1 133001105 FRFDZHISCJXEGG-UHFFFAOYSA-N 258.134 3.966 30 20 CHED C=CCn1c(C)nnc1SCc1c(C)cccc1C 133211826 DARPAWPIUKPJOM-UHFFFAOYSA-N 273.405 3.682 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1csc(C(C)C)n1 135008094 WPPODYOJTZJVMM-OAHLLOKOSA-N 280.437 3.528 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 135685347 QOHSEOAEFRJRLF-LBPRGKRZSA-N 289.354 3.741 30 20 CHED N#C[C@H](NC(=O)CC1CCCCCC1)C1CCCCC1 135824641 SQRKTYUCXOGUAV-INIZCTEOSA-N 276.424 3.936 30 20 CHED CC[C@H](C)CN(C)C(=O)N[C@@H](CCC#N)c1ccccc1 151462358 XYVXTMFXQMASBJ-HOCLYGCPSA-N 287.407 3.719 30 20 CHED C=CC[C@@H](C)NC(=O)c1occc1-c1ccc(F)cc1 152255111 LJTKMVLFQJAIBJ-LLVKDONJSA-N 273.307 3.780 30 20 CHED C#CCCCCNC(=O)Nc1cccc(OCC(C)C)c1 152488842 INGVAWICHRJPBP-UHFFFAOYSA-N 288.391 3.646 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H](C)C1 152721872 ZVBNJHQFAGRXCN-CRAIPNDOSA-N 296.414 3.899 30 20 CHED N#CCC[C@@H](C#N)COc1c(Cl)cccc1Cl 153091320 DVOSRVYKBVAWOM-VIFPVBQESA-N 269.131 3.816 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1ncc(C(C)(C)C)o1 155299465 NASAZFDKBDSFAL-RYUDHWBXSA-N 263.385 3.515 30 20 CHED Cc1cccc([C@H]2CCCN2CC#Cc2ccc(F)cc2)n1 157175402 SHJKXOUJFGVGTK-LJQANCHMSA-N 294.373 3.718 30 20 CHED C=CCN(C)C(=O)Nc1cc(C(F)(F)F)ccc1C 157533510 MVLUMNPYAIDGKH-UHFFFAOYSA-N 272.270 3.664 30 20 CHED N#Cc1ccc(OC(=O)c2cc3ccccc3o2)c(F)c1 158221857 NQPZGPSGQIYVSJ-UHFFFAOYSA-N 281.242 3.663 30 20 CHED CCOC(C)(C)CNc1ccc(C#N)cc1Br 159449227 YCUWSMNBRZWYIJ-UHFFFAOYSA-N 297.196 3.548 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCCCCC#N 171420750 RQQCPBKHBNKORC-UONOGXRCSA-N 279.428 3.584 30 20 CHED C=C(Br)CNC(=O)C[C@@H](CC)c1ccccc1 171533973 PIEVTYNXGOPTHA-GFCCVEGCSA-N 296.208 3.595 30 20 CHED C=CC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 171831772 CEUDYDMSOMCQGA-UHFFFAOYSA-N 298.839 3.552 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CCC(F)(F)F 173366394 MMQITSYQJBZLCM-UHFFFAOYSA-N 298.308 3.639 30 20 CHED N#Cc1ccc(NC(=O)CCC2CCC2)cc1Cl 175273734 XRABIGOOPPSREG-UHFFFAOYSA-N 262.740 3.730 30 20 CHED Cc1ccccc1CC(=O)O[C@H](C)c1ccc(C#N)cc1 175761775 DFKODCVPGOTRHA-CQSZACIVSA-N 279.339 3.714 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2C)c(F)cc1F 178391953 BKFWWBATAIXNSP-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CC(C)(C#N)COC(=O)c1occc1COc1ccccc1 180178465 RACOETMGHYJVAW-UHFFFAOYSA-N 299.326 3.565 30 20 CHED FC(F)(F)c1ccccc1CO/N=C1/CCCOCC1 180479227 YZSKEQBZFOJBOS-PDGQHHTCSA-N 287.281 3.779 30 20 CHED C=CCCC[C@H](C)NC(=O)c1coc2ccccc12 182582296 AVGKSNYUGXQGCE-LBPRGKRZSA-N 257.333 3.907 30 20 CHED C=CCC[C@H](C(=O)Nc1ccc(F)cn1)c1ccccc1 187575881 ZKUAJRGUJSTZMS-HNNXBMFYSA-N 284.334 3.909 30 20 CHED CC#CCCCC(=O)N[C@H](C)CSc1ccc(C)cc1 187604914 GULKBQVUVFBAIL-OAHLLOKOSA-N 289.444 3.785 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 188571580 OTMVWZIHPQAYRI-PBHICJAKSA-N 291.366 3.758 30 20 CHED CC(C)C(C)(C)CN[C@H](C)c1ccc(OCC#N)cc1 188710047 YBYMWHRNALQNDD-CQSZACIVSA-N 274.408 3.922 30 20 CHED N#CCCN(Cc1ccc(Cl)cc1F)CC1CC1 189063607 KHYXDUBDQZFNMF-UHFFFAOYSA-N 266.747 3.605 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1F 190402032 HBLUWPBVYCAUKW-SFHVURJKSA-N 280.346 3.938 30 20 CHED C[C@H](SC[C@H]1CCCCO1)c1cccc(C#N)c1 190782581 DHTZAVKQRCIETB-SWLSCSKDSA-N 261.390 3.922 30 20 CHED Cc1ccccc1[C@@H](NCc1cc(C#N)n(C)c1)C(C)C 191014113 ZILZJQBENKVNPT-SFHVURJKSA-N 281.403 3.692 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NCCCSCC#N 191353520 RYOJJYHGWUEUTP-LSDHHAIUSA-N 268.470 3.828 30 20 CHED C=CCN(CC=C)C(=O)Nc1nnc(C(CC)CC)s1 192801187 NCVCNWRSTGDSFR-UHFFFAOYSA-N 294.424 3.648 30 20 CHED CCn1ncc2ccc(N[C@H]3CCC[C@H](C#N)C3)cc21 193198552 CYCGPLBQHXVFQJ-JSGCOSHPSA-N 268.364 3.550 30 20 CHED N#Cc1ccc(CC(=O)N2CCC[C@H]2c2cccs2)cc1 194715724 GMHQDTHNWYVNQA-HNNXBMFYSA-N 296.395 3.526 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCC(C#N)CC1 195326855 YEKJSMMQAMORBE-OAHLLOKOSA-N 293.455 3.928 30 20 CHED C[C@@H](CC(F)(F)F)NC1CC(C#N)(c2ccccc2)C1 219254091 AHFZFXLWXOWHCK-XGNXJENSSA-N 282.309 3.541 30 20 CHED CCC(CC)(CNc1cc(C#N)cc(C)n1)SC 232961145 FDXCAALYWVHLHQ-UHFFFAOYSA-N 263.410 3.595 30 20 CHED Cc1ccccc1CCNc1nc(Cl)c(C#N)s1 235782909 OPSNCNCTKIKSPX-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C=C[C@@H](C)NCc1ccc(OCc2ccccc2)c(OC)c1 237159148 NDKOOBMLTZTUPK-OAHLLOKOSA-N 297.398 3.938 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1ccc(N(C)CCC#N)cc1 237390192 ANEIZXWWDSAOBB-GJYPPUQNSA-N 299.462 3.951 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)c(F)c1 250887359 JRUKQVQFJSOXHL-CABCVRRESA-N 272.367 3.709 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)cc1O 255043652 ZLGXVXFVDQQHDO-RQOWECAXSA-N 290.265 3.575 30 20 CHED COc1cc(C=NOCC2CCC2)cc(Cl)c1OC 255082815 CXPUIJYGQUNWJL-UHFFFAOYSA-N 283.755 3.508 30 20 CHED COc1cc(C)ccc1NC(=O)/C=C\c1ccccc1C#N 255264692 CEGIPROSRVTYRW-NTMALXAHSA-N 292.338 3.527 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1F 255769408 GXUFDMLDEVOYSW-FPLPWBNLSA-N 265.287 3.902 30 20 CHED C[C@H](Sc1ccccc1Cl)C(=O)N(C)[C@H](C)CC#N 264066290 NATWFEQUHZIYNF-MNOVXSKESA-N 296.823 3.581 30 20 CHED C=CCCCC(=O)N[C@H](C)c1nc2ccccc2n1CC 267194221 POIQXBBKZCWPKW-CYBMUJFWSA-N 285.391 3.590 30 20 CHED Cc1csc([C@@H](C)CNc2ccc(C#N)cc2)n1 273202211 FJJCOAGYKRKLAX-JTQLQIEISA-N 257.362 3.539 30 20 CHED CSc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)ccc1F 274308398 HNVBHEMEHDAQFN-HNNXBMFYSA-N 294.395 3.606 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1CCCc2ccccc21 274313602 ISQNMRXZRMAOMK-MAUKXSAKSA-N 284.403 3.551 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC=C(c2cccc(OC)c2)C1 275986484 MBPKXEHABZOZCS-GOSISDBHSA-N 285.387 3.523 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](c2ccccc2F)C1 276909498 KKHYCMAWUODIKJ-DYVFJYSZSA-N 275.367 3.744 30 20 CHED C=CCC[C@H](C)N[C@@H](Cc1nc(C)no1)c1ccccc1 277136262 OUZFJEBBOOMGLH-BBRMVZONSA-N 285.391 3.606 30 20 CHED C[C@@H](CC#N)N(C)Cc1nc(C2CCCCC2)cs1 277728251 NVYBLULRSGXALR-LBPRGKRZSA-N 277.437 3.925 30 20 CHED CC1(C)CCCN(Cc2c[nH]c(-c3ccccc3)n2)[C@@H]1C#N 278416679 QVBJOEQYXQWETQ-MRXNPFEDSA-N 294.402 3.591 30 20 CHED CC[C@H](NCCC[C@@H]1CCCCO1)c1ccc(C#N)cc1 278685990 KBPYBBDWHNWXKH-ROUUACIJSA-N 286.419 3.948 30 20 CHED Cc1coc(-c2ccc(C)c(NC(=O)CC(C)(C)C#N)c2)n1 279048782 RGAAOEVXIARZAN-UHFFFAOYSA-N 297.358 3.837 30 20 CHED N#Cc1cc(NCc2ccccc2N2CCCCC2)ccn1 286060076 AMBYOYWJRADJFF-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc3nccnc3c2)no1 289082222 ONVMAEHUDNPXFF-MRXNPFEDSA-N 280.331 3.534 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 289778033 MPTSXWGHCMVMKN-COXVUDFISA-N 284.403 3.509 30 20 CHED C=CCN(CCC#N)Cc1cc(-c2ccc(C)cc2)no1 292318848 VTFNGCGRRQLPLR-UHFFFAOYSA-N 281.359 3.552 30 20 CHED C[C@@H](O)c1cc(NCCCC(C)(C)C#N)ccc1F 292440043 MSJZHGWJCWGEAD-LLVKDONJSA-N 264.344 3.621 30 20 CHED C=CCN(CCC#N)C(=O)c1cccc(OCC=C(C)C)c1 292455647 OEIJVKWZGZDTLW-UHFFFAOYSA-N 298.386 3.573 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)c2cncs2)s1 297910796 XIDKYGFSVXZOAW-UHFFFAOYSA-N 291.401 3.626 30 20 CHED CCOc1ccccc1[C@H](CC)N[C@@H](C)CCC#N 299727284 VEMKRWMWHDLQKY-ZFWWWQNUSA-N 260.381 3.818 30 20 CHED CCCC[C@@H](COC)Nc1ccc(C#N)c(Cl)c1 301275691 LZBQXYOJQNUHKG-ZDUSSCGKSA-N 266.772 3.829 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1)Oc1ccc(F)cc1 301449430 KYWIDIKXODXFAY-LBPRGKRZSA-N 270.307 3.577 30 20 CHED N#Cc1nc(Oc2cc(F)cc(F)c2)ccc1Cl 301495222 AOYBDWXEKBFLSP-UHFFFAOYSA-N 266.634 3.677 30 20 CHED N#Cc1cccc(Sc2nccc(C(F)(F)F)n2)c1 301645955 PKOFJBVGPNCRGH-UHFFFAOYSA-N 281.262 3.518 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2cc3ccccc3[nH]2)c1 302077244 AKJSWJQGSVRPPE-UHFFFAOYSA-N 289.338 3.854 30 20 CHED CN(CC[C@@H]1CCCO1)c1ccc(C(F)(F)F)c(C#N)c1 302701370 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C=CC[C@H](C(=O)NCC1CCCC1)c1ccccc1 488608904 LRUNIDGXZWUSTJ-INIZCTEOSA-N 257.377 3.653 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccccc1C(F)(F)F 488815623 AZTWVKDGQFXMRQ-LLVKDONJSA-N 283.293 3.886 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1cccc(C)c1Cl 488824087 YRZBOHJUSUQVJF-AWEZNQCLSA-N 277.795 3.758 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1SCCc2sccc21 488880376 QOVSAZDNBWUEGF-BXUZGUMPSA-N 293.457 3.646 30 20 CHED C=C(C)CNC(=O)c1ccc(Oc2ccccc2)cc1 490034022 NUZHAYOIJWVQLB-UHFFFAOYSA-N 267.328 3.785 30 20 CHED C=CCN(Cc1cccc(OC)n1)CC1CCCCC1 497453535 HFSWANIRBUMFQU-UHFFFAOYSA-N 274.408 3.659 30 20 CHED Cc1ccccc1CCC(=O)N[C@H](C)c1ccc(C#N)cc1 504328795 LJUNXRYFCOSWAM-OAHLLOKOSA-N 292.382 3.677 30 20 CHED CCCC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CCC1 505629550 CLJHLEPZPAITAL-AWEZNQCLSA-N 290.794 3.991 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC(F)F)c(F)c1 505848577 VZARWELNVSXZMY-UHFFFAOYSA-N 273.298 3.825 30 20 CHED C=CCN(CC=C)Cc1ccc(OC(C)C)c(OC)c1 505893324 DIFMCQPWZNLHCK-UHFFFAOYSA-N 275.392 3.656 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)[C@H]1CCCC[C@@H]1C 509510819 YIKBOPQHUNRICQ-GUYCJALGSA-N 284.403 3.908 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cn2)c2ccccc2S1 514611819 GLFYPIGOVKDAON-ZDUSSCGKSA-N 295.411 3.844 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1cccc(C)c1C 520683979 JMNQTQKTOQXLKE-HNNXBMFYSA-N 275.392 3.638 30 20 CHED C=CCCN(C)[C@@H]1C[C@@H](OCC)C12CCCCC2 525123851 DNZYRUKZZZMGHE-HUUCEWRRSA-N 251.414 3.622 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2CC2CCCCC2)n1 533683966 GOSZUQDVBRTYMB-MRXNPFEDSA-N 269.392 3.892 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)[C@@H]1CCCC[C@H]1C)OCC 535126680 ZTJUTPCRBSPPCF-OAGGEKHMSA-N 281.440 3.785 30 20 CHED C=C(C)[C@H](CC(=O)NCC(C)(C)C1CCCC1)OCC 535201687 NJMRRLDMSDRAKG-HNNXBMFYSA-N 281.440 3.690 30 20 CHED C=CCCc1csc(-c2ccc3c(c2)OCO3)n1 535593864 JTQHQAKRCIPLLU-UHFFFAOYSA-N 259.330 3.657 30 20 CHED C=CC[C@H](CO)CN[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 538195459 UXKVEYMQEVKNJS-RNIPGJKVSA-N 287.447 3.733 30 20 CHED CCc1ccc([C@H](NCC2(C#N)CC2)C(C)C)cc1 538350618 MNZNIKGFEWTRSB-MRXNPFEDSA-N 256.393 3.839 30 20 CHED C=C(CC)CSc1n[nH]c(-c2ccccc2F)n1 539114751 GUAUIIXHQORQKN-UHFFFAOYSA-N 263.341 3.669 30 20 CHED C=C(CC)CSCC(=O)N(CC)C1CCCCC1 540193627 NIOOUBKVZXDFIM-UHFFFAOYSA-N 269.454 3.867 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1ccc(CC#N)cc1 541348217 FMXFYKOCCDDXRI-HNNXBMFYSA-N 276.383 3.872 30 20 CHED N#CC1(NC(=O)c2ccc(SC3CC3)cc2)CCCC1 544020169 OUFBIIUEUXGYKG-UHFFFAOYSA-N 286.400 3.507 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 544759372 YFPOAWVBJXMFRI-CVEARBPZSA-N 293.451 3.833 30 20 CHED CCc1ccccc1-c1noc(-c2ccc(C#N)cc2)n1 545605326 DKWGGRHWEZEXTP-UHFFFAOYSA-N 275.311 3.838 30 20 CHED C=CCOc1ccccc1C(=O)N(CC)CCC1CC1 546869080 NAZLGUSZINSDAK-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2nnc(-c3ccccc3)o2)no1 554831981 JMWDCXGXQIWVOE-INIZCTEOSA-N 296.330 3.640 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C(C)=O)s2)n1 556362299 MXHSETWOIKPUIS-UHFFFAOYSA-N 276.361 3.854 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1cccc(Cl)c1Cl 556776659 RAQIZIZKPJWSJF-ZDUSSCGKSA-N 285.174 3.549 30 20 CHED C=CCC[C@H](CC)N[C@H](CN(C)C)c1ccc(OC)cc1 560257793 CZVYROAIVBWZPP-FUHWJXTLSA-N 290.451 3.632 30 20 CHED CC(C)(C)c1csc(CSc2cccnc2C#N)n1 563975390 HEOXUGLAKVGCLV-UHFFFAOYSA-N 289.429 4.000 30 20 CHED COc1ccc([C@H](CCC#N)NCCc2ccc(C)o2)cc1 564317495 MPQFEHAMCCBOAZ-SFHVURJKSA-N 298.386 3.774 30 20 CHED N#CCCCNCc1cc2cc(Br)ccc2o1 566926137 IEGPGIFJAOVTEE-UHFFFAOYSA-N 293.164 3.589 30 20 CHED C=CCN(CC=C)[C@H](C)C(=O)Nc1cccc2ccccc12 571868194 ZCQOAUSMIHHOMI-OAHLLOKOSA-N 294.398 3.841 30 20 CHED C=C(C)CCc1noc(-c2ccc(C)c(C(C)=O)c2)n1 576285077 UKIPYEQBOKMGFD-UHFFFAOYSA-N 270.332 3.756 30 20 CHED C=CCCCCOc1ccc(NC(=O)C2CC2)cc1 579572557 YVLPRGCILZIEQY-UHFFFAOYSA-N 259.349 3.770 30 20 CHED Cc1cc(F)ccc1CN1CCCC(C)(C)[C@H]1C#N 579912542 LVZURIXHKIAJTD-OAHLLOKOSA-N 260.356 3.648 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@@H](C)c1ccccc1 580922418 MMIUFDBEYBLXSJ-AWEZNQCLSA-N 284.407 3.785 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] 581976022 KRIPVHVRBUZYGF-OAHLLOKOSA-N 297.289 3.705 30 20 CHED C[C@H](C#N)CNC(=O)Nc1cc(C(F)F)ccc1Cl 582983333 RWCQBVSBFANCLL-SSDOTTSWSA-N 287.697 3.559 30 20 CHED C=CCCCCCNc1ccc(F)c(C(=O)OC)c1F 583354198 BYGXRTKYMTWEDU-UHFFFAOYSA-N 283.318 3.910 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccccc1OC(C)C 588028281 PRYQMPGLEOWTQF-ZDUSSCGKSA-N 261.365 3.617 30 20 CHED O=C(/C=C\c1nccn1-c1ccccc1)c1ccccc1 588578340 JSKHNINSFCLQGF-QXMHVHEDSA-N 274.323 3.768 30 20 CHED CC(C)N(C)c1ccc(/C=C\C(=O)c2cccc(O)c2)cn1 588579170 IMBTWEVFKANJIK-CLFYSBASSA-N 296.370 3.528 30 20 CHED CC(C)Oc1ccccc1NC(=O)CCCCCC#N 588873508 PPSONMOYTDRDGT-UHFFFAOYSA-N 274.364 3.886 30 20 CHED COc1cc(F)c(F)cc1N[C@H](C#N)Cc1ccccc1 589542151 NPBOKFDBKVCLLH-LBPRGKRZSA-N 288.297 3.520 30 20 CHED C[C@@H](CCC#N)CN1C[C@@H](C)CN(C)c2ccccc21 589821095 TXAPOBLCQREXJM-GJZGRUSLSA-N 271.408 3.519 30 20 CHED N#Cc1c(Cl)cccc1N1CC[C@H](c2ccco2)C1 590689823 KKHHRQAUZCPBOE-NSHDSACASA-N 272.735 3.799 30 20 CHED N#Cc1cncc(-c2ccc(OC[C@@H]3CCCCO3)cc2)c1 592987612 ZMNRILLGVYJWDV-SFHVURJKSA-N 294.354 3.568 30 20 CHED N#Cc1cc(N(C#N)CCCC2CCC2)ccc1F 594896777 ZKKRAVLREMBUCU-UHFFFAOYSA-N 257.312 3.565 30 20 CHED CC[C@H](OCCN(C1CC1)[C@H](C)C#N)c1ccccc1 595708969 DEFJYSKSCFCUKW-PBHICJAKSA-N 272.392 3.531 30 20 CHED CC(C)(C#N)CCn1c(=O)c(Cl)cc2ccccc21 596295492 NYGAGUFLAOSWJH-UHFFFAOYSA-N 274.751 3.595 30 20 CHED Cc1cc(Cn2ncc(Cl)c2C2CC2)ccc1C#N 596314213 ZHPQAGZPAVDERL-UHFFFAOYSA-N 271.751 3.642 30 20 CHED N#Cc1cn(CCC2=CCCCC2)c(=O)c2ccccc12 596315588 ZCSSPTHKKWUDCT-UHFFFAOYSA-N 278.355 3.764 30 20 CHED CN(C)c1ccccc1NC(=O)CC1(C#N)CCCCC1 596780558 JWEFTSJHTHWTIV-UHFFFAOYSA-N 285.391 3.555 30 20 CHED CCCC[C@@H](C)N(C)C(=O)CC1(C#N)CCCCC1 597671547 MQYIJDBOOCZVLZ-CQSZACIVSA-N 264.413 3.888 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 597901850 NECQQBVTJFKFTN-XIRDDKMYSA-N 288.435 3.745 30 20 CHED CCCC[C@@H](C(=O)N(CCC#N)CC1CC1)C(C)C 598690945 MTOWVEKKMRSQSS-OAHLLOKOSA-N 264.413 3.601 30 20 CHED N#C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C1CC1 601074424 RKJSKLHGZBRWES-ZDUSSCGKSA-N 273.336 3.610 30 20 CHED N#CCc1ccccc1C(=O)N1CCC2(CCCCC2)C1 601241782 HHMBXJNAWFUITF-UHFFFAOYSA-N 282.387 3.549 30 20 CHED N#C[C@H](NC(=O)C1CCC=CCC1)c1ccc(Cl)cc1 602095129 CWENNHDIEPUPKH-HNNXBMFYSA-N 288.778 3.767 30 20 CHED COc1cccc(C2CCN(C[C@H](C)CCC#N)CC2)c1 602455178 WCOIHACDNYHYMK-OAHLLOKOSA-N 286.419 3.814 30 20 CHED C[C@H](OCCCNC[C@H](C)CCC#N)c1ccccc1 602509012 AMDABMSTYRDYIY-CVEARBPZSA-N 274.408 3.684 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@H]1CCC[C@@H]1C(C)(C)C 602692460 ICWCKJMNFRZVMK-PMPSAXMXSA-N 292.467 3.890 30 20 CHED C[C@H](CC#N)NCc1nc(-c2ccccc2Cl)cs1 602869909 JRJLMAZBPZEYIK-SNVBAGLBSA-N 291.807 3.855 30 20 CHED CC1(C#N)CCN(c2cc(C(C)(C)C)ccn2)CC1 603332663 FERWFTRJUXRZGO-UHFFFAOYSA-N 257.381 3.509 30 20 CHED CCCN(CC(C)C)C(=O)c1cc2ccccc2n1CC#N 609162429 IRDISWMIHQDRIF-UHFFFAOYSA-N 297.402 3.673 30 20 CHED CCN1CCc2ccc(Nc3ncc(C#N)cc3Cl)cc21 609632262 FIOHMDOJADPSQV-UHFFFAOYSA-N 298.777 3.733 30 20 CHED CCN(CC#N)Cc1ccccc1Oc1ccccc1 609806741 JJANVSRDNWGGED-UHFFFAOYSA-N 266.344 3.824 30 20 CHED Cc1cn(Cc2cc(Cl)ccc2OC(F)F)cc1C#N 610915552 SBXGAWMNJRVZDN-UHFFFAOYSA-N 296.704 3.971 30 20 CHED CC(C)(C)c1cc(NC(=O)c2nccs2)c(C#N)s1 618681199 BJMKFTKUTBWQTG-UHFFFAOYSA-N 291.401 3.626 30 20 CHED C[C@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1cccs1 618789536 KBEWDKQATLNETR-XHDPSFHLSA-N 296.395 3.527 30 20 CHED C=CCCN(C)C(=O)C1(c2ccccc2C)CCCC1 637899469 YCPPMRDMRQHNPS-UHFFFAOYSA-N 271.404 3.841 30 20 CHED C=CCN(C(=O)Nc1cscc1Cl)C1CC1 640778151 AHJBBCIAGFMSFU-UHFFFAOYSA-N 256.758 3.584 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCCc3ccc(OC)cc32)CC1 653634453 YHWFASDQCGZQFF-QGZVFWFLSA-N 299.414 3.540 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCO[C@@]2(CCSC2)C1 657929101 QWBCXUBUWFNKEB-QZWWFDLISA-N 295.492 3.766 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1COc2c(Cl)cccc21 675160979 UIECNTLIHPZDPG-AWEZNQCLSA-N 291.778 3.658 30 20 CHED C=C[C@@H](C)N[C@H](C)c1oc2ccc(OC)cc2c1C 675933600 IEGIIOYIZBNPTI-ZYHUDNBSSA-N 259.349 3.975 30 20 CHED C=CCCOCC(=O)N1CCC[C@@H]1CCC1CCCC1 676064704 YQZNZNYVZHCDGE-MRXNPFEDSA-N 279.424 3.541 30 20 CHED C=CCCOCC(=O)N(CC(C)(C)C)c1ccccc1 681613899 IZMCLYOIIQANBI-UHFFFAOYSA-N 275.392 3.658 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1CC(OCc2ccccc2)C1 683788943 XLNFTOKYEPUOGQ-LXPRWKDFSA-N 299.414 3.549 30 20 CHED C=C(CNC(=O)CCc1ccc(C)s1)c1ccccc1 685798185 ICTADBSAUGINAO-UHFFFAOYSA-N 285.412 3.819 30 20 CHED C#CCN(C(=O)c1cc2c(s1)CCC2)C1CCCCC1 688830787 HAODERZLJZXKOC-UHFFFAOYSA-N 287.428 3.645 30 20 CHED C=CCCSCCN[C@@H](CC)c1ccccc1O 696127489 RVVJHWJUTBCBME-AWEZNQCLSA-N 265.422 3.742 30 20 CHED CCCCCCCNCc1cnn(C(C)(C)C)c1 705952633 GWJTUZWOBNLPJX-UHFFFAOYSA-N 251.418 3.698 30 20 CHED N#Cc1cc(F)cc(NC(=O)CCC2CCCCC2)c1 720281485 FMSBBFDSVQHHEH-UHFFFAOYSA-N 274.339 3.996 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1sc(C)nc1C 726738425 VYZNMXCVDJNUSH-UHFFFAOYSA-N 290.348 3.504 30 20 CHED CCCCCCCCOC(=O)c1ccc2nnc(C)n2c1 726812265 IDKYAEUGNXEJHY-UHFFFAOYSA-N 289.379 3.555 30 20 CHED CC1=CC(=NNc2ncnc3sccc23)CCC1 727254220 RKVOPWACIWLRKD-UHFFFAOYSA-N 258.350 3.589 30 20 CHED C[C@H]1CCCCC1=NNc1cnc2ccccc2n1 727258361 GQGCVTRDCPCIGO-NSHDSACASA-N 254.337 3.608 30 20 CHED CC/C=C(\C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730421728 NZJULFHPVFZHQW-VKJYCEFSSA-N 288.347 3.968 30 20 CHED CCC/C=C/C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 731645020 DTDIVVPUZJNGGA-FLUIGGAXSA-N 296.292 3.743 30 20 CHED C#CCN(C(=O)NCCc1ccc(C)cc1)C1CCCCC1 734946951 PUQDQAZEHLXCLN-UHFFFAOYSA-N 298.430 3.515 30 20 CHED C=CCCCOC(=O)c1ccccc1Oc1cccnc1 735533873 DPGOTRCEQMFTOJ-UHFFFAOYSA-N 283.327 3.997 30 20 CHED C=CCN(C(=O)N[C@@H](Cc1ccccc1)C1CC1)C(C)C 737066867 LOLQRCRXHOYVNJ-KRWDZBQOSA-N 286.419 3.614 30 20 CHED CCN(CC)c1ccc(/C=C/C(=O)c2cccnc2)cc1F 739425995 HTSXOTUMWAXQHS-CSKARUKUSA-N 298.361 3.963 30 20 CHED C=C(Cl)COC(=O)[C@H](Cc1ccccc1)C(C)C 740265589 ZOYDYZFLERRYSQ-CQSZACIVSA-N 266.768 3.797 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1cccnc1 740764454 WAIOGWJDJQFAAK-BQYQJAHWSA-N 260.296 3.526 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)[C@H]1CCOC1 741761410 CSAUUVHPQQXJDZ-GUYCJALGSA-N 274.408 3.873 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)n1 741766415 LHHHNGRSECGPSI-KXNHARMFSA-N 290.798 3.662 30 20 CHED CCC(=NNc1cccc2ccccc12)c1cnn(C)c1 741810723 PVJIJJGYQXGIIA-UHFFFAOYSA-N 278.359 3.800 30 20 CHED CCC(=NNc1ccc(Cl)cc1)[C@H]1CCOC1 741838488 MJWHYYLXYMQELG-JTQLQIEISA-N 252.745 3.554 30 20 CHED C(=NNc1cnc2ccccc2n1)C1CCCCCC1 741841239 BDATXDFQHJFQDZ-UHFFFAOYSA-N 268.364 3.998 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C(\C)C(C)(C)C 742662893 BNEYFTKFKCRUPA-WYMLVPIESA-N 287.403 3.860 30 20 CHED N#Cc1ccc(OCCCSCC2CCC2)cc1 742973493 PGZNKIJFSAJDCB-UHFFFAOYSA-N 261.390 3.860 30 20 CHED Cc1ccoc1C=NNc1ccc(Cl)cc1[N+](=O)[O-] 743438641 NWDZULVGSLIJMH-UHFFFAOYSA-N 279.683 3.596 30 20 CHED Cc1ccc([C@H](C)C(=O)[C@H](C#N)c2nc3ccccc3o2)o1 744039004 GPPYWBSZZZHNTL-RYUDHWBXSA-N 294.310 3.709 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(F)cc2C#N)C1 745158626 NXGFPRVKOFXAGL-VXGBXAGGSA-N 275.323 3.567 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccc(F)cc1F 746157967 ZWEKHMBKSHXVFC-UHFFFAOYSA-N 271.310 3.600 30 20 CHED COc1ccc(CCNN=C2CCC[C@@H]2C(C)C)cc1 747764678 QJZLXVVPNUALKM-MRXNPFEDSA-N 274.408 3.639 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)[C@H]1Cc2ccccc21 749199462 QMFCBTLDUYVGCW-KRWDZBQOSA-N 296.753 3.575 30 20 CHED C/C(=C\C(=O)NC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 749733059 LVECBMDMIPHIQR-CSKARUKUSA-N 296.292 3.527 30 20 CHED C[C@H](C#N)CNN=C1CC2(CCCCC2)Oc2ccccc21 753714094 LSLCGUXVIVSWKD-CQSZACIVSA-N 297.402 3.625 30 20 CHED C#C[C@H](CC)NC(=O)CCCOc1cccc2ccccc12 754354258 OERFGLFGWYHGGH-MRXNPFEDSA-N 295.382 3.527 30 20 CHED CCCCCCCCNC(=O)CCc1ccoc1 754850430 NHCGNZMOVCIMQL-UHFFFAOYSA-N 251.370 3.689 30 20 CHED C=CCOC(=O)CCCc1csc2ccccc12 756235083 YPTPOHVQMKBZQR-UHFFFAOYSA-N 260.358 3.953 30 20 CHED CCOc1ccccc1C=NNCc1cccc(Cl)c1 756831408 JNBNUEQNWPUJBG-UHFFFAOYSA-N 288.778 3.862 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(CC#N)cc2)c(C)c1 758567895 LEROCRNCMMXHQO-UHFFFAOYSA-N 278.355 3.646 30 20 CHED CCCCCCCCOC(=O)[C@H]1CCC(=O)[C@H](C)C1 761453782 ACYVXVAAGJNQRN-KGLIPLIRSA-N 268.397 3.895 30 20 CHED Cc1cc(NC(=O)NC[C@@H](C)C#N)ccc1-c1ccccc1 762948436 LARMQHLITRIPPO-ZDUSSCGKSA-N 293.370 3.943 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(C)cc1 764433834 GTXWRIBZMHUVKX-FPLPWBNLSA-N 258.342 3.961 30 20 CHED CCc1cnccc1C(C)=NNCc1cccc(Cl)c1 765582346 WWANNNSGULUQLX-UHFFFAOYSA-N 287.794 3.811 30 20 CHED C=CCN(C(=O)/C=C/c1ccc2[nH]ccc2c1)C(C)C 765778440 PACYAQYBPODHDY-SOFGYWHQSA-N 268.360 3.604 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 767072270 VTHYUULXZWMXGF-MRXNPFEDSA-N 283.415 3.965 30 20 CHED CC[C@@H](C)N(C(=O)Cc1ccccc1CC#N)[C@H](C)CC 767504289 FLAMHPRWXHQION-HUUCEWRRSA-N 286.419 3.721 30 20 CHED N#Cc1ccc(C2=CCN(CCCCCCCO)CC2)cc1 767731768 PJBXRNUZJFPKLG-UHFFFAOYSA-N 298.430 3.590 30 20 CHED FC(F)(F)CON=Cc1cnc(C2CCCC2)s1 767791717 XCHBRZNHFGFJIO-UHFFFAOYSA-N 278.299 3.714 30 20 CHED N#C[C@@H](OC(=O)[C@@H](F)c1ccccc1)C1CCCCC1 769171983 RCTKFKDCVXRQGE-CABCVRRESA-N 275.323 3.713 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCC2(C)C)c1 772023263 PMPIBHUEGSESBH-INIZCTEOSA-N 269.388 3.847 30 20 CHED C=C(C)[C@H](NC(=O)/C=C/SC)c1ccc(F)c(F)c1 772328308 PIMXEHVZFJFUDY-UZYOAWRESA-N 283.343 3.575 30 20 CHED CC(C)CC(=NNc1nccnc1C(C)C)c1ccccn1 773094944 UAIBLZXYTGJENB-UHFFFAOYSA-N 297.406 3.857 30 20 CHED C=C(CC)CON=C(C)CCc1ccc(OC)cc1 773176965 CLMDYYVUCWMTLR-UHFFFAOYSA-N 261.365 3.987 30 20 CHED C#CCCCCC(=O)N(CC)c1cccc(Cl)c1 773233832 USNYNHSVSYZOED-UHFFFAOYSA-N 263.768 3.887 30 20 CHED Cn1c([C@H](C#N)C(=O)[C@@H]2CCCC2(C)C)nc2ccccc21 773942867 IBRUJSHQGXYMHO-OLZOCXBDSA-N 295.386 3.576 30 20 CHED CC[C@H](N[C@H](C)c1ccc[nH]1)c1ccc(C#N)cc1 774267253 OARXPFJMOIXSGL-DOMZBBRYSA-N 253.349 3.688 30 20 CHED C#CCOc1ccccc1NC(=O)c1ccc(C)c(Cl)c1 775950106 CPAZFTDNDFZRIO-UHFFFAOYSA-N 299.757 3.913 30 20 CHED C#CCOc1cccc(NC(=O)Nc2cc(C)ccc2C)c1 776298959 FTNNJEMWIRQXFH-UHFFFAOYSA-N 294.354 3.959 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(Cl)c(F)c1 776397266 QSEPWZBESFPQCG-UHFFFAOYSA-N 269.703 3.576 30 20 CHED C=CCC[C@H](NC[C@H]1COC2(CCC(C)CC2)O1)C1CC1 777314461 VEYLKPGAGGLMKZ-YCHGYYGWSA-N 293.451 3.643 30 20 CHED N#C[C@H](OC(=O)C[C@@H]1C=CCCC1)C1CCCCC1 778392989 UDCWUDAJMLVWKC-HIFRSBDPSA-N 261.365 3.748 30 20 CHED O=C1/C(=C\c2nccc3ccccc23)Cc2cc(O)ccc21 780188167 LRYVZZKWQZHCJK-KAMYIIQDSA-N 287.318 3.763 30 20 CHED C=CCN(CC=C)[C@H](CNC(=O)/C(C)=C(\C)CC)C(C)C 780939881 KNMHXMHCGXXCMX-INFVRCAFSA-N 292.467 3.548 30 20 CHED CCSCCC=NNc1nccc2sccc12 781121511 AODCIZTWQHSJGI-UHFFFAOYSA-N 265.407 3.837 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cc(C(=O)O)cs1 782201541 UKOVQVNNLUZZGT-IHWYPQMZSA-N 278.354 3.712 30 20 CHED C[C@@H](C#N)OC(=O)CC(C)(C)Cc1ccc(Cl)cc1 782391840 MVIUTNJQGYLTHW-NSHDSACASA-N 279.767 3.754 30 20 CHED C=CCCN(OCc1ccccc1)c1nc(C)cc(C)n1 782447651 AOTBAIGEBRIIIN-UHFFFAOYSA-N 283.375 3.608 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)/C=C/C1CCCCC1 785560143 VJLGCRRYXQTMNO-DBEXCURXSA-N 294.398 3.798 30 20 CHED Cc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c(O)c1 787024607 BZESUEQTWSDESL-ACJLOTCBSA-N 292.382 3.910 30 20 CHED C#CCC1(C(=O)N[C@H]2CCC[C@@H](C)C2)CCCCC1 788156701 FWOZHQDFTCUITH-CABCVRRESA-N 261.409 3.655 30 20 CHED C=CCOC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1 789243874 WKLXAKNEWASURX-UHFFFAOYSA-N 288.265 3.592 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCCC2)c1cscn1 792885872 JKIMNSCHPVUZSU-SOFGYWHQSA-N 269.369 3.918 30 20 CHED COc1ccc(NN=Cc2ccncc2)c(C(F)(F)F)c1 793110713 AOCALUGQIBIIGC-UHFFFAOYSA-N 295.264 3.555 30 20 CHED C#CCOc1ccccc1CNC(=O)[C@@](C)(CC)CCC 793511110 BCUKKODGTIFPRM-SFHVURJKSA-N 287.403 3.531 30 20 CHED C=CCCCCNC(=O)[C@@H](F)CC1CCCCC1 793832753 ASKKXCHCSSIJCE-AWEZNQCLSA-N 255.377 3.767 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](F)CC1CCCCC1 793977312 VQBPIBROFKVOQR-HUUCEWRRSA-N 267.388 3.862 30 20 CHED CC(C[C@@H]1CCOC1)=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 794541103 HZQRLESMFOFBNO-QSJFSLAZSA-N 278.440 3.593 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccnn1C(C)C)CC2 794945946 LUDIRVKDYYZZMF-RVDMUPIBSA-N 280.371 3.985 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N(C)c1ccc(F)cc1 796230519 WBTJXKFSVNWFEG-UHFFFAOYSA-N 296.345 3.517 30 20 CHED Oc1cccc(/C=N\[C@H]2C[C@H](c3cccc(F)c3)C2)c1O 797784803 JDFLQSDYNBLTEA-AMSFDCQKSA-N 285.318 3.602 30 20 CHED Cc1ccc(N(C)C(=O)c2cc(C#N)oc2C)cc1Cl 797875029 NYVBOFYXQSZONV-UHFFFAOYSA-N 288.734 3.698 30 20 CHED C#C[C@H](N[C@H](CC)c1ccc(F)cc1F)C(C)C 798398968 ZTAUKZCIWPGQGQ-LSDHHAIUSA-N 251.320 3.663 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](CC)CC=C)cc1 798937199 PAPAISOGYXRRHR-GOEBONIOSA-N 257.377 3.704 30 20 CHED COc1ccccc1CON=Cc1cc(F)cc(F)c1 799118777 UPLCYHWNMCXDNC-UHFFFAOYSA-N 277.270 3.524 30 20 CHED CCCc1cnc(NC(=O)c2ccc(C)c(C#N)c2)s1 799363151 UOHZUGOWUHQOBG-UHFFFAOYSA-N 285.372 3.528 30 20 CHED C#Cc1ccc(C(=O)Nc2cc(C)c(Cl)c(C)c2)cn1 799501616 JQQZXYGIMCTOSM-UHFFFAOYSA-N 284.746 3.585 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(N3CCCC3)c(F)c2)C1 799721388 DSTWDKDOLWUMBX-OLZOCXBDSA-N 273.355 3.530 30 20 CHED CCOc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c2ncccc12 799723826 VAEWVFJGUQGLSL-CHWSQXEVSA-N 281.359 3.738 30 20 CHED C=CCCCCCCNC(=O)Cc1cccs1 805219904 ASNITAGMLQCDRP-UHFFFAOYSA-N 251.395 3.543 30 20 CHED CC1(CC(=O)OCCCSCC#N)CCCCC1 805513625 ATIQYTVSFBAMHB-UHFFFAOYSA-N 269.410 3.537 30 20 CHED N#CCCCCCC(=O)O[C@H]1CCCc2ccccc2C1=O 805695750 HDFDLGAEOHCSLC-INIZCTEOSA-N 299.370 3.591 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(C)noc1-c1ccccc1 806415289 KEMZAMQCPGNLKF-CQSZACIVSA-N 297.358 3.573 30 20 CHED C#C[C@@H](NC(=O)c1occc1-c1ccccc1)C(C)(C)C 807879169 PVFJRMDSBNYZQP-OAHLLOKOSA-N 281.355 3.724 30 20 CHED CCO[C@H]1CC(=NNc2cc(C)ccc2C)[C@@H]1SC 807955052 LYDWUIHWKRPGNE-GJZGRUSLSA-N 278.421 3.612 30 20 CHED Fc1ccc(/C=C\C=NNc2nccnc2C2CCC2)cc1 807994414 RJKUNGRBJYGJFN-JFRGKZMWSA-N 296.349 3.994 30 20 CHED N#Cc1cc(F)cc(OCc2ccc(CF)cc2)c1 808044457 WFZVWILESUDPAD-UHFFFAOYSA-N 259.255 3.746 30 20 CHED C#C[C@@H](NC(=O)N(C)C/C(C)=C\c1ccccc1)C(C)(C)C 808317118 NCMRDWNQYAWMKY-AKMXKPQHSA-N 298.430 3.779 30 20 CHED C#CCN(C(=O)c1ccccc1OC1CC1)C1CCCCC1 808320620 LJSAAXMJDZIZKE-UHFFFAOYSA-N 297.398 3.636 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C=C/c2ccsc2)cc1 809258586 YKUUVROIWCSPNG-CDVVCGDMSA-N 296.395 3.705 30 20 CHED C#CCN(Cc1ccccc1)Cc1cnc(C2CC2)s1 809718715 XGJYRFDCJCXCKF-UHFFFAOYSA-N 282.412 3.656 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2C)cc1O 811645177 BLBOJOTZJAYRAJ-UHFFFAOYSA-N 288.322 3.684 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)C1CCCCC1 811689152 WQFTUGTXZDYYRP-KTKRTIGZSA-N 257.308 3.860 30 20 CHED CON=C(Cc1c(F)cccc1Cl)c1ccoc1 814796081 SQBVBDDLQGYVHO-UHFFFAOYSA-N 267.687 3.665 30 20 CHED CCOc1ccc(NN=Cc2cc(F)ccc2F)cc1 814984314 WYFWOLLOJSUBLB-UHFFFAOYSA-N 276.286 3.810 30 20 CHED Cc1cc(C)c(COC(=O)c2ncc(C#N)cc2C)c(C)c1 815339522 QJCUAFJPCKQSKV-UHFFFAOYSA-N 294.354 3.544 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 815880872 WAJKCTWKGMCVOL-AWEZNQCLSA-N 297.320 3.913 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc2c(c1)CNC2 817969571 XKIVTZYNXLRENC-OAHLLOKOSA-N 272.436 3.904 30 20 CHED N#CCCC[C@@H](N)c1nc(-c2ccc3sccc3c2)no1 822808794 YTXKGAXFCFQZEC-GFCCVEGCSA-N 298.371 3.645 30 20 CHED CN(CCCCC(C)(C)C#N)C[C@](C)(O)c1ccccc1 823605370 JKRJNVWLGRKFPK-SFHVURJKSA-N 288.435 3.546 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1cccc(C2CC2)c1 834444843 STDUXTWKJDHFEJ-HJWRWDBZSA-N 266.344 3.502 30 20 CHED C#Cc1cccc(CN[C@H]2CCCc3c(OC)cccc32)c1 834903385 PBEPKCPAWRCTAQ-IBGZPJMESA-N 291.394 3.844 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1ccc(Cl)cc1 835084222 CNQXERWZYZJUNA-GDLCADMTSA-N 280.751 3.535 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CCCCCCCC1 836921932 QTLANQIDZLOKMC-SFHVURJKSA-N 298.430 3.942 30 20 CHED O=C(C#CC1CC1)N[C@@H](Cc1ccccc1)c1ccccc1 837317189 PODMHDHZJIPCMU-IBGZPJMESA-N 289.378 3.500 30 20 CHED CCC[C@H](NC(=O)C#CC(C)(C)C)c1ccc(F)cc1F 837466432 MRFHMARFXFUNOO-HNNXBMFYSA-N 293.357 3.972 30 20 CHED C=CC(C)(C)C(=O)OCCC(Cl)(Cl)Cl 837863703 GRNUZJNIOZURCW-UHFFFAOYSA-N 259.560 3.502 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(F)c(F)cc2Cl)C1 839053429 DTFQSHMEDCBVKF-DTWKUNHWSA-N 299.704 3.857 30 20 CHED Cc1ccc(C(F)(F)C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 839056151 ZOWNZHXKLYETLS-JSGCOSHPSA-N 293.313 3.712 30 20 CHED C=CCC(C)(C)C(=O)Oc1cccc2ncccc12 839248087 OPFJRJXRQXGULO-UHFFFAOYSA-N 255.317 3.743 30 20 CHED COCC[C@@H](C)C/N=C\c1c(O)ccc2ccccc12 840709455 DGERSWYOKAJPIE-FDIDITGRSA-N 271.360 3.637 30 20 CHED Cc1nn(C)cc1CON=Cc1ccc(C(C)(C)C)cc1 842017420 CTGKWKQHSALGNU-UHFFFAOYSA-N 285.391 3.577 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H]1c1ncon1 848111959 PRHIWBOQTIYYFR-CQSZACIVSA-N 293.411 3.874 30 20 CHED CC(C)CC1(N[C@H](C)c2ccc(OCC#N)cc2)CC1 850566014 JZSCDKJBTFXELN-CQSZACIVSA-N 272.392 3.818 30 20 CHED CO[C@@H](C=NNc1cc(Cl)ccc1Cl)C1CC1 853314152 KUFRDHWVDSZUKW-LBPRGKRZSA-N 273.163 3.816 30 20 CHED C=C(Cl)CSCC(=O)N[C@H](c1ccccc1)C1CC1 853783280 KAJNQROOGHPYKW-OAHLLOKOSA-N 295.835 3.740 30 20 CHED N#Cc1cc(-c2ccnc(Cl)c2)cc(N2CCCC2)c1 854168973 MCGYVMMJVKGJSF-UHFFFAOYSA-N 283.762 3.874 30 20 CHED CC/C(=C\C(=O)N(C1CC1)[C@H](C)C#N)c1ccc(C)cc1 855582607 LBVNDHOVNLWWJM-XDPMZMSMSA-N 282.387 3.692 30 20 CHED C=CCC1(NC(=O)/C(C)=C\c2ccco2)CCCC1 855928817 YBUMWLOFFSGMAM-SEYXRHQNSA-N 259.349 3.688 30 20 CHED Clc1cnc(NN=C2CC[C@H]3CCCC[C@@H]3C2)nc1 857221659 KPVGBXZRBXSDDC-GHMZBOCLSA-N 278.787 3.888 30 20 CHED CCCCCCCNC(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1 858114679 QFOZXTLZKKJONB-BETUJISGSA-N 290.398 3.890 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 858114931 XNMOWRJDAXAKSD-HZPDHXFCSA-N 296.455 3.557 30 20 CHED C#CC[C@H](CCOC)NCc1cc(Cl)cc(Cl)c1 858334797 YZSCBDJUYUZZOR-CQSZACIVSA-N 286.202 3.511 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](C)c1ccco1 858848963 QQMDGBNYSPTOQG-AWEZNQCLSA-N 299.345 3.574 30 20 CHED CCOc1cccc(/C=C\C(=O)O[C@@H](C)C(C)(C)C#N)c1 860623579 NDYZJQPEQMVEKS-XPSMFNQNSA-N 287.359 3.580 30 20 CHED CCCCCCCNC(=O)c1cc(C#N)ccc1Cl 862355170 GTNRAOZDFHTJHN-UHFFFAOYSA-N 278.783 3.912 30 20 CHED Fc1ccc(NN=Cc2ccnn2CC2CC2)cc1Cl 863179093 PFGGPWCGUSTZCW-UHFFFAOYSA-N 292.745 3.532 30 20 CHED CC[C@H](NC(=O)C#CC(C)C)c1cc(C)ccc1C 863273463 JJJLIQJUAHXIMB-INIZCTEOSA-N 257.377 3.530 30 20 CHED Cc1ccccc1C=NNCc1ccccc1Cl 864028988 RWEHKOSYXACQNP-UHFFFAOYSA-N 258.752 3.772 30 20 CHED C=CCc1ccc(OC(=O)CCc2ccccc2)c(OC)c1 875124671 XSYFQJRGYDPCRW-UHFFFAOYSA-N 296.366 3.962 30 20 CHED CCOc1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1 876817398 GSDBPROYVSHDQD-CQSZACIVSA-N 288.391 3.596 30 20 CHED CC(=O)[C@@](C#N)(CCN(C)[C@@H](C)C1(C)CC1)c1ccccc1 878179310 KUVVLOIRRJOWQS-KXBFYZLASA-N 298.430 3.547 30 20 CHED C=CCC1(O)CCN([C@H](C)c2ccccc2Cl)CC1 886759764 OYVNXDROUXADFA-CYBMUJFWSA-N 279.811 3.804 30 20 CHED C=C1CCC(C(=O)N2CCCC[C@H]2c2cccn2C)CC1 889323566 XICJAIPJWKDPBJ-KRWDZBQOSA-N 286.419 3.825 30 20 CHED C=C1CCC(C(=O)OCc2coc(C(C)(C)C)n2)CC1 890498007 YNOLQQQSCLBCPC-UHFFFAOYSA-N 277.364 3.762 30 20 CHED CC(C)[C@@H](C)N(C(=O)c1ccc(C#N)cn1)c1ccccc1 894226211 OIFRKECROJLEMA-CQSZACIVSA-N 293.370 3.645 30 20 CHED N#CC1(CCCC[S@@](=O)C2CCCC2)CCC1 899275901 JWRLIEXKNJQTMD-QGZVFWFLSA-N 253.411 3.542 30 20 CHED C=CCCC[C@@H](N)c1nc(C2CCCCCC2)no1 900004945 UINOGLKTCGHWIM-CYBMUJFWSA-N 263.385 3.864 30 20 CHED C=CCCCC[C@@H](C)N[C@H](CC(C)(C)C)C(=O)O 901805210 GDQDZYYVHMVCKT-CHWSQXEVSA-N 255.402 3.600 30 20 CHED CC[C@H](NCc1ccsc1)c1cccc(C#N)c1 902747870 YDHOQEQOWRAYBQ-HNNXBMFYSA-N 256.374 3.861 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(C(C)(C)c2ccccc2)no1 903669491 DKYPMKWTYYWSLP-GJZGRUSLSA-N 298.386 3.844 30 20 CHED CCCCCCCCCC(=O)N1CCO[C@H](CC)C1 913180840 ZARBPBYXHWDCFW-OAHLLOKOSA-N 269.429 3.765 30 20 CHED COc1ccc(C(C)=NNc2nc3ccccc3[nH]2)c(F)c1 915915744 KCVJLZJUTKAQPO-UHFFFAOYSA-N 298.321 3.547 30 20 CHED COc1ccc(CNN=Cc2c(C)[nH]c3ccccc23)cc1 917549292 UZKNLYOLEAJOHS-UHFFFAOYSA-N 293.370 3.609 30 20 CHED Cc1nc(NC(=O)C=C2CCCC2)sc1SCC#N 917679990 ZCNPJMAWDDLERP-UHFFFAOYSA-N 293.417 3.506 30 20 CHED C=CCN(C(=O)NCCCn1ccc2ccccc21)C(C)C 918054601 LPDAHYVFDQKEBD-UHFFFAOYSA-N 299.418 3.637 30 20 CHED N#CCc1cccc(C(=O)OCc2cccc(Cl)c2)c1 918501328 XAHTUBCDLJSVQB-UHFFFAOYSA-N 285.730 3.763 30 20 CHED CC(=NNc1cccc(F)c1)c1cc(C)ccc1O 920384402 UYRFYZZQZBRRSX-UHFFFAOYSA-N 258.296 3.676 30 20 CHED COc1cc(C)cc2c1OC/C(=C/c1ccccc1C)C2=O 920389897 QHAIHYDLHARXEQ-GDNBJRDFSA-N 294.350 3.971 30 20 CHED COc1ccc(CNc2ccccc2O[C@H](C)C#N)c(C)c1 921981955 XHUXQOYEDCWHAP-CQSZACIVSA-N 296.370 3.907 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)OCCCC(C)(C)C#N 923914423 YSNVEDBVEXMOKO-CQSZACIVSA-N 273.376 3.972 30 20 CHED CCS[C@@H]1CCC[C@@H](N[C@H](C)CC(C)(C)C#N)C1 925218699 OALIXSXFOYRVHR-MGPQQGTHSA-N 268.470 3.969 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC1(c2ccc(F)cc2F)CC1 925649539 HDNHDQKQSXNWRE-LBPRGKRZSA-N 292.373 3.914 30 20 CHED Cc1noc(C)c1[C@@H](C)NCc1ccc(C#N)c(Cl)c1 926369711 IFODOXANONGNFI-SECBINFHSA-N 289.766 3.667 30 20 CHED C[C@@H]1CCN(C(=O)Nc2sccc2C#N)CC1(C)C 931838173 QJSRYYXECRCMJA-SNVBAGLBSA-N 277.393 3.520 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCC12CCCCC2 935120981 OYMALFHSIRQFDQ-UHFFFAOYSA-N 282.387 3.806 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCCc2sccc21 935789077 JZHCGUUVHZXNIZ-UHFFFAOYSA-N 296.395 3.911 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](CC)c1ccc(F)cc1)OCC 1116552436 KKVFYNKPJVWPCW-JKSUJKDBSA-N 293.382 3.764 30 20 CHED N#Cc1ccc(-c2nnc(/C=C/c3ccccc3F)o2)cc1 1117242736 ISFWSGNZEKHHAA-MDZDMXLPSA-N 291.285 3.918 30 20 CHED C=CCC(C)(C)CNC(=O)CSCc1cccs1 1117765999 HYHDUIIBWPDZLM-UHFFFAOYSA-N 283.462 3.700 30 20 CHED CC(=O)c1ccc(CSCC2(CC#N)CC2)cc1 1118596609 COMKKNUPGAHVAF-UHFFFAOYSA-N 259.374 3.816 30 20 CHED CC(C)(C)CC(=O)N(c1cccc(C#N)c1)C1CCC1 1119426481 IRXMNMHSFVZIGV-UHFFFAOYSA-N 270.376 3.880 30 20 CHED Cc1ccc(-c2noc(-c3csc(C#N)c3)n2)cc1 1119616323 LNHNZWRDLLQOMW-UHFFFAOYSA-N 267.313 3.645 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 1254404144 RZJBKZLWWVKIIY-ZBFHGGJFSA-N 283.419 3.623 30 20 CHED C=C[C@@H](COC)N[C@H](c1cccc(OC(C)C)c1)C(F)F 1261553972 PPDYJABOVRKGMF-DZGCQCFKSA-N 299.361 3.571 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(C#N)ccc1C 1264951779 XHRMIVRVIPRNNS-DOTOQJQBSA-N 284.403 3.955 30 20 CHED CC1=C(c2nnc(-c3ccc(C#N)cc3)o2)CCC1 1322325598 OLEXGFWKRNTDKH-UHFFFAOYSA-N 251.289 3.566 30 20 CHED C=CCCC(C)=NNc1cncc(Br)c1 1325379903 ZGBHZCPOVUIMEG-UHFFFAOYSA-N 268.158 3.598 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)C1 1333705126 CJXVZPOBFCBECU-UKRRQHHQSA-N 276.405 3.675 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)c1ccccc1CC#N 1335391705 QBFCBFMFKIEQAI-UHFFFAOYSA-N 290.366 3.518 30 20 CHED C=C(C)CCC(=O)N(CC(C)C)c1ccc(C#N)cc1 1336437315 BVXNLYLWNBEPMI-UHFFFAOYSA-N 270.376 3.904 30 20 CHED C=C(C)CCC(=O)N(Cc1c(F)cccc1F)C1CC1 1337190879 MXSJTCHCMRHDMP-UHFFFAOYSA-N 279.330 3.812 30 20 CHED C=C(C)CCC(=O)Nc1cccc(-c2ncco2)c1C 1340644233 SMXSZDJSDQYVIB-UHFFFAOYSA-N 270.332 3.945 30 20 CHED N#C[C@H](C(=O)c1ccc(Cl)c(F)c1)c1cccc(F)n1 1343332218 XTQUBSKOTWMSIC-VIFPVBQESA-N 292.672 3.503 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2cccc3c2CCCC3)c1 1352220542 TWMGFGAUPFFYBL-UHFFFAOYSA-N 294.329 3.828 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)[C@@H](C#N)c1cccc(F)n1 1357701122 JQQWYTDYDRPFCT-HIFRSBDPSA-N 296.345 3.584 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(F)c2Cl)c(F)c1 1436165611 KCEBVQIIYIXDOH-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC(C)(C)c1csc(NC(=O)NC2CCC2)c1C#N 1466648495 LMCNWSTYAZIPFD-UHFFFAOYSA-N 277.393 3.591 30 20 CHED Cc1cc(N(C)Cc2ccc(Cl)c(F)c2)ncc1C#N 1472748824 HEZYKLWBCDGAHJ-UHFFFAOYSA-N 289.741 3.691 30 20 CHED C[C@]12CN(Cc3cccc(C#N)c3F)C[C@H]1[C@H]1CC[C@@H]2C1 1473843383 XGLNWRQEMGFNPM-OBZJAWTPSA-N 284.378 3.565 30 20 CHED CC(F)(F)c1ccccc1NC(=O)c1ccc(C#N)o1 1521835204 URCMMZHLSZHTEI-UHFFFAOYSA-N 276.242 3.515 30 20 CHED N#CCc1ccc(COC(=O)c2cccc(C3CC3)c2)cc1 1527007551 GEOZVUOJKKOJKO-UHFFFAOYSA-N 291.350 3.987 30 20 CHED CSc1ccsc1C(=O)Nc1cccc(CC#N)c1 1543578285 DNGWYOPCFCFFNJ-UHFFFAOYSA-N 288.397 3.788 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C)cc(C#N)c1)[C@H]1CC1(C)C 1562939825 WRRPIRHXMJWEIF-HUUCEWRRSA-N 285.391 3.813 30 20 CHED C=C(C)c1cccc(NC(=O)Cc2ccc(C(=O)O)cc2)c1 1573325168 FUNIBJRMCUQAKM-UHFFFAOYSA-N 295.338 3.599 30 20 CHED C=CCC1(C(=O)Nc2scc(C(=O)O)c2C)CCCC1 1588765124 RBGUUAURUKOZRT-UHFFFAOYSA-N 293.388 3.830 30 20 CHED C#CCCCC(C)=NNc1ccc(C(=O)O)c(Cl)c1 1602702381 BDOUWIMONXEUSM-UHFFFAOYSA-N 278.739 3.630 30 20 CHED C=CCCCCCCCNc1ccc(C(=O)O)nc1C#N 1602873670 ZTUHNHIIXYPKBZ-UHFFFAOYSA-N 287.363 3.590 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2ccsc2Cl)cc1 1608871101 FDWSBOSTLVKQGS-WAYWQWQTSA-N 292.743 3.996 30 20 CHED CC(C)CN(CC(C)C)c1snc(Cl)c1C#N 1612168425 WWSVCODWWMVMGA-UHFFFAOYSA-N 271.817 3.787 30 20 CHED CC[C@H]1CCCC[C@@H]1CNc1ccc(C#N)c(C)n1 1639972767 CFXZHOCZQMGHRJ-DZGCQCFKSA-N 257.381 3.890 30 20 CHED N#Cc1ccc(SCCc2ccc(Cl)cc2)nc1 1640846621 HTLHGAACYOFMNU-UHFFFAOYSA-N 274.776 3.941 30 20 CHED CCCOc1cccc(COc2ccc(C#N)cc2)c1 1643452873 PRTGELSKOAJFLV-UHFFFAOYSA-N 267.328 3.926 30 20 CHED C=C(Cl)CN1CCC(Cc2cc(F)cc(F)c2)CC1 1645661225 GDJKYKHHKYOEJS-UHFFFAOYSA-N 285.765 3.972 30 20 CHED Cc1cc(Sc2ccc(F)cc2F)ncc1C#N 1651315347 AYHJENBOJGBLOZ-UHFFFAOYSA-N 262.284 3.691 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1F)c1ccc(F)cc1F 1651541549 DKEBBCLKAQZTKS-AWEZNQCLSA-N 291.276 3.934 30 20 CHED CCC[C@H](CN1CCC[C@@H]1[C@H](C#N)c1ccccc1)OC 1658294038 PKCNJKCPUZSEKB-KZNAEPCWSA-N 286.419 3.573 30 20 CHED N#Cc1cc(F)cc(NC2CC(C#N)(c3ccccc3)C2)c1 1665453843 JDCNNJZRZVPRLM-UHFFFAOYSA-N 291.329 3.733 30 20 CHED CCc1cccc(C)c1NN=Cc1cc(C(=O)O)cs1 1776056885 WBTKOTVMGZEMFE-UHFFFAOYSA-N 288.372 3.763 30 20 CHED Cc1scc(C=NNc2ccc(F)c(C(=O)O)c2)c1C 1776063739 GEJYFIXIAXMPSG-UHFFFAOYSA-N 292.335 3.648 30 20 CHED Cc1c(NN=C2CC[C@@H]3[C@@H](C2)C3(F)F)cccc1C(=O)O 1776089354 OCOPIXYIZHLBPF-VXGBXAGGSA-N 294.301 3.526 30 20 CHED C=CCCCCN1CCC(CC(C)C)(C(=O)O)CC1 1776207796 ONUTYAJGWLOSIH-UHFFFAOYSA-N 267.413 3.556 30 20 CHED CCN(C(=O)CC1CCC1)[C@@H](C)c1ccc(C#N)cc1 173773232 HMFZCUGPQLUSDG-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)CCc2ccccc2)CC1 177313767 SXWCEPRBBTVRTE-KRWDZBQOSA-N 286.463 3.638 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@H]1C)c1nc(-c2ccccc2)cs1 57329460 LVDDEDWPPJNAMN-JSGCOSHPSA-N 298.411 3.985 30 20 CHED CCCCCCCCCCC(=O)Nc1ncccn1 108854043 JZTRQTSFTUDNLF-UHFFFAOYSA-N 263.385 3.946 30 20 CHED C[C@@H](OCCCNCc1cccc(C#N)c1)c1ccccc1 57626226 YNVZSQBQLDKZLZ-MRXNPFEDSA-N 294.398 3.816 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)CC 102606104 NMUJQNCUTSTASK-UHFFFAOYSA-N 275.392 3.646 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(OCC#N)cc2)o1 20126435 JMEFOKTXZDKELK-WBMJQRKESA-N 282.343 3.917 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Nc1nc(C)c(C)o1 65984824 QXIBAVQLWUCVLA-UHFFFAOYSA-N 299.374 3.554 30 20 CHED Cc1cc(C)c2c(c1)CCCN2C(=O)c1cc(C#N)cs1 177182207 WPTOLCPFARVZSG-UHFFFAOYSA-N 296.395 3.830 30 20 CHED N#CCCCSCc1cccc(OC(F)F)c1 176737499 ZEOMXWVSRBIOOI-UHFFFAOYSA-N 257.305 3.825 30 20 CHED C[C@H](CC#N)N(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1 301780191 SLGYJVIMQDDHOW-GFCCVEGCSA-N 288.439 3.810 30 20 CHED CCO[C@@H](CCNCc1cc(C#N)cs1)C1CCCC1 177709004 OWPVOWROAPWFQS-INIZCTEOSA-N 292.448 3.695 30 20 CHED CCCCCCC[C@@H](C)NC1CCC(C(=O)O)CC1 114804192 NVTAREYRLFSOOS-WLYUNCDWSA-N 269.429 3.968 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@H](C)C3)c2c1 301409120 NVOWUSNPHFMOCM-NSHDSACASA-N 265.360 3.570 30 20 CHED C=CCC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CCCC1 412393896 PPGIKPWTVBTYKW-DLBZAZTESA-N 299.414 3.748 30 20 CHED CCC[C@H](C)CC(=O)N[C@@H](C#N)c1ccccc1Cl 172025406 ORYAAJDMEUANGH-FZMZJTMJSA-N 278.783 3.847 30 20 CHED O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 179414089 UITGUPCUOMTWQO-FNORWQNLSA-N 288.690 3.539 30 20 CHED CC(C)N(C(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 178795586 MHHMADHCFFKYHO-MRXNPFEDSA-N 285.391 3.614 30 20 CHED CC(C)c1cccc(N/C(N)=N/CCc2ccc(F)cc2)c1 303707071 MAPMPMVRIKCRDK-UHFFFAOYSA-N 299.393 3.918 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cccnc2C)cc1 171418343 RPYZMRVJJCFEAO-DHZHZOJOSA-N 267.328 3.685 30 20 CHED N#Cc1ccc(N[C@@H]2CCCOc3cc(Cl)ccc32)cn1 302045792 YBLWIHXWYMIIOP-OAHLLOKOSA-N 299.761 3.932 30 20 CHED C=CCCC(=O)Nc1ccccc1CC(F)(F)F 174445002 BZTOLWQVLHXMRB-UHFFFAOYSA-N 257.255 3.696 30 20 CHED C[C@H](OC(=O)c1ccc2cc[nH]c2c1)c1ccc(C#N)cc1 175756118 RVMCGAYKJDASLB-LBPRGKRZSA-N 290.322 3.958 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1)Oc1ccccc1F 301422857 CPWKIFBDQCHUNO-LBPRGKRZSA-N 270.307 3.577 30 20 CHED N#Cc1ccc(NCCCSc2ccc(F)cc2)cn1 301562644 IUPVTUKSBRNOBO-UHFFFAOYSA-N 287.363 3.687 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H](C)c1ccccc1 123366554 SGGPETKMXNRAMA-CYBMUJFWSA-N 295.338 3.666 30 20 CHED CC(C)CCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 128860556 GWYNJJZWKPAZHS-CYBMUJFWSA-N 299.399 3.818 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc2sccc2[nH]1 188915001 HYBHABVLCNDDQX-UHFFFAOYSA-N 289.404 3.631 30 20 CHED Cc1ccc(Cl)cc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 129508642 PZIBJCVWFGVPSI-BZNIZROVSA-N 290.794 3.851 30 20 CHED N#CC1(C(=O)NCC2CCC(c3ccccc3)CC2)CCC1 120480811 WNOTZKDECHCGJC-UHFFFAOYSA-N 296.414 3.770 30 20 CHED Cc1cc(CN(C)[C@H](C)c2ccco2)ccc1C#N 362935566 QCVNRZDIIFMXKD-CYBMUJFWSA-N 254.333 3.653 30 20 CHED CC(C)(C)n1cc(N=C(O)c2cccnc2C2CC2)cn1 329509714 BHHLZYLPTUMYCY-UHFFFAOYSA-N 284.363 3.547 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1CC(C)C 501185816 WCKUPSOHXPAQAI-OAHLLOKOSA-N 285.391 3.909 30 20 CHED N#Cc1ccc(NCCCNc2ccccn2)cc1Cl 180410217 HMLKKCOBZXUEEP-UHFFFAOYSA-N 286.766 3.521 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)c1cccc(SC)c1 188475441 WRYMTTOHDYAXSP-INIZCTEOSA-N 293.432 3.600 30 20 CHED C[C@H](NCCC1(C#N)CCCCC1)c1cccc(O)c1 411458306 QBFGYGIPBTWGBY-AWEZNQCLSA-N 272.392 3.907 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1 125743839 MIKBTTHBNZBEKK-LRDDRELGSA-N 292.810 3.573 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H](CC(C)C)OC)c1ccccc1 416062177 NXFCCAIUGUXTLU-DOTOQJQBSA-N 289.419 3.524 30 20 CHED CCCCOc1ccc(NC(=O)c2c[nH]c(C#N)c2)c(C)c1 180863345 GZIRHTYUALRIBR-UHFFFAOYSA-N 297.358 3.626 30 20 CHED CCN(C(=O)C[C@H]1CCC[C@H]1C)c1ccc(C#N)cc1 186830049 NXCGHZQDLXWMJA-UKRRQHHQSA-N 270.376 3.737 30 20 CHED Cc1cc2occ(C(=O)N(C)C3(C#N)CCC3)c2cc1C 186679337 ZJJNKZQCTBVTDJ-UHFFFAOYSA-N 282.343 3.568 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)c2ncccc12 188102629 PRCDXZQEANVOCS-GOSISDBHSA-N 298.386 3.711 30 20 CHED C[C@H](CCC#N)N1CC[C@@](F)(c2cccc(Cl)c2)C1 411693849 MSLGASBAVHYNCD-DOMZBBRYSA-N 280.774 3.903 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1Nc1ncc(C#N)cc1F 413213019 JJTMFASIVMJAFV-MEDUHNTESA-N 281.334 3.828 30 20 CHED N#Cc1ccc(=Nc2cccc(-c3cccs3)c2)[nH]c1 507020655 FFWBSNRTSVGTNH-UHFFFAOYSA-N 277.352 3.847 30 20 CHED N#Cc1cc(NC(=O)N[C@@H]2CCc3ccccc32)ccc1F 77500021 WVDZKJVGILJODM-MRXNPFEDSA-N 295.317 3.506 30 20 CHED Cc1cc(NC(=O)[C@@]2(C#N)C[C@H]2C)ccc1C(F)(F)F 410525045 JGKYREDUGRDAIZ-NOZJJQNGSA-N 282.265 3.502 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)CC#N)c(C)c1OC 414175020 YTHOFKBAXBAPHS-CYBMUJFWSA-N 290.407 3.603 30 20 CHED CCn1c([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)nc2ccccc21 185885604 AQMIXOJHYDINMX-ILXRZTDVSA-N 296.418 3.789 30 20 CHED CN(CC1(c2ccccc2)CC1)C(=O)C1(C#N)CCCCC1 186756252 VATVRWYPQXVPGA-UHFFFAOYSA-N 296.414 3.651 30 20 CHED C=C(C)COc1cccc(N[C@@H]2COC(C)(C)C2)c1 417819177 BMDCENMWCKOFRT-AWEZNQCLSA-N 261.365 3.621 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)CCC(C)(C)C 411074358 WQMXFLLJROMRJG-UHFFFAOYSA-N 272.348 3.526 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 410834023 JARNBAXHGWZAIV-WFASDCNBSA-N 292.810 3.669 30 20 CHED CC(C)N(CCC#N)C(=O)Cc1ccc2ccccc2c1 42530397 YQFVAFCDYSHXAM-UHFFFAOYSA-N 280.371 3.533 30 20 CHED C=CCC(CC=C)C(=O)NCCCc1cccc(OC)c1 130192985 QQECTMXOOZWSQQ-UHFFFAOYSA-N 287.403 3.512 30 20 CHED CC[C@@H](CC(F)(F)F)NCc1ccc(C#N)c(F)c1 421339889 HUAFAUVGQLAPPT-NSHDSACASA-N 274.261 3.518 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CCC(CC)CC1 515073262 FMLOMWXKPZRPAO-UHFFFAOYSA-N 290.455 3.679 30 20 CHED C[C@H]1CN(CCCCC(C)(C)C#N)CCN(C2CCC2)C1 429396542 BVVFRNYEURQWRM-INIZCTEOSA-N 291.483 3.513 30 20 CHED O=C1/C(=C/c2cnc3ccccn23)CCc2ccccc21 133157351 XCLABYSHDHXZCZ-SDNWHVSQSA-N 274.323 3.547 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H]1CC[C@H](C#N)C1 424318070 CLGRIQUBAJERGV-CTASWTNQSA-N 254.377 3.825 30 20 CHED CC[C@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 429914350 OZQNAAOFCJNVQZ-VIFPVBQESA-N 272.373 3.610 30 20 CHED CC(C)(NCc1ccc(C#N)c(F)c1)c1ccccc1F 429272377 NJWXWKOOVKWEEH-UHFFFAOYSA-N 286.325 3.861 30 20 CHED N#Cc1cc(F)ccc1NC(=O)Cc1ccc(Cl)s1 193744529 DDQKYGUJWBYFQY-UHFFFAOYSA-N 294.738 3.593 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CCC(C)(C)O1 425536139 OJXCBDBOSYCDCB-XJKSGUPXSA-N 272.392 3.509 30 20 CHED COc1cc(NCc2cn3ccccc3c2C#N)ccc1F 193485068 CNKIRVBOKUEUQK-UHFFFAOYSA-N 295.317 3.571 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 511395000 FKYCETJPMDYRSO-HRCADAONSA-N 261.409 3.772 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)NCC(C)(C)CCC#N 513113097 JIYKHRNJPDWJJO-LSDHHAIUSA-N 293.455 3.927 30 20 CHED CSCC1CCC(Nc2cccc(OCC#N)c2)CC1 294673915 ARLOQYSFDOLLPA-UHFFFAOYSA-N 290.432 3.923 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccccc1OCc1ccccc1 93090796 CWWHQKRLLWXGND-INIZCTEOSA-N 294.398 4.000 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(F)cc(Cl)c1 435732827 RWCYGRKZNIUVQG-WFASDCNBSA-N 283.774 3.550 30 20 CHED OC(=Nc1ncc(-c2ccccc2)cn1)C1CCSCC1 330125342 LVUHZHOZPVXBKO-UHFFFAOYSA-N 299.399 3.875 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(OC2CCCCC2)CC1 339538615 MDKTYMNOHAHUCB-UHFFFAOYSA-N 293.451 3.929 30 20 CHED C=C(C)COCCN[C@@H](CC)c1cc(F)ccc1F 90450950 DGSUMSDBIIJQDJ-HNNXBMFYSA-N 269.335 3.598 30 20 CHED C=CCC[C@H](CC)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 249173180 COLBXQJXUWKJRM-RDBSUJKOSA-N 293.373 3.804 30 20 CHED CC(C)[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)CCO1 346136531 RELIWVQTJRIFKW-BZSNNMDCSA-N 286.419 3.825 30 20 CHED C[C@@H](C#N)CNC(=O)CC1(CCc2ccccc2)CCCC1 524305130 AAPROAWVKBFDMS-INIZCTEOSA-N 298.430 3.846 30 20 CHED N#CCCCNCc1c(OC(F)F)ccc2ccccc12 344326791 OFHAOWLQYZJRDI-UHFFFAOYSA-N 290.313 3.835 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 342962389 WTEKXOKJKBLYKA-NWDGAFQWSA-N 290.411 3.818 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC1(CC(C)C)CC1 431713032 BSASNYMOBTZUBM-UHFFFAOYSA-N 285.391 3.815 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)c1cc2ccccc2o1 341336277 BALRREBHTCDMGZ-LLVKDONJSA-N 263.300 3.873 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 522645298 MYYKOHLFWFSOTR-IHRRRGAJSA-N 251.414 3.920 30 20 CHED C[C@H]1C[C@@H](C)CN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 246574528 LQGCWGMCJLDQPC-HLLBOEOZSA-N 299.418 3.719 30 20 CHED C[C@@H](c1ccccc1Br)N(C)CC(C)(C)C#N 433305151 MUIJZSASWYEHRC-NSHDSACASA-N 295.224 3.992 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1O 436823602 VWLNHMOBNFSCDC-NSHDSACASA-N 299.292 3.592 30 20 CHED CCSc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 349798592 FRVXMVVCPBBNHO-GXTWGEPZSA-N 260.406 3.580 30 20 CHED CCCN(C)c1ccccc1NC(=O)c1sccc1C#N 600760899 IKUQLEBYUBQTGW-UHFFFAOYSA-N 299.399 3.718 30 20 CHED CCCN(CC1(C#N)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 343321972 PGTJSFCTYMTVRZ-CVEARBPZSA-N 290.451 3.740 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 341241673 YGSKYSVYIWXYMN-IJEWVQPXSA-N 283.375 3.649 30 20 CHED Clc1ccccc1CON=Cc1cccs1 250076015 DODQBUGMZDWSCO-UHFFFAOYSA-N 251.738 3.952 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)cc1 255127661 SHTOEIFUHFVHRJ-WAYWQWQTSA-N 269.250 3.733 30 20 CHED C=CC1CCN(C(=O)Cc2cccc(C(F)F)c2)CC1 344468451 BSDRNZKIYKXSEA-UHFFFAOYSA-N 279.330 3.591 30 20 CHED Cc1cc(/C=C\C(=O)c2cncc(F)c2)ccc1F 255621440 MUDSITVHJPQXQM-HYXAFXHYSA-N 259.255 3.564 30 20 CHED N#CCC1(CN2CCCn3c(cc4ccccc43)C2)CC1 602832583 KCBYNGLZLOCUJT-UHFFFAOYSA-N 279.387 3.541 30 20 CHED Cc1cccnc1[C@@H](NC[C@@H](C)CCC#N)C(C)C 602547744 NPWBDVKNPDNONB-ZFWWWQNUSA-N 259.397 3.617 30 20 CHED CCC1(CC)CCN(Cc2ccc(C#N)cc2OC)C1 347258258 VSXMLDQUVLWLAH-UHFFFAOYSA-N 272.392 3.579 30 20 CHED N#CCCCN[C@H](CC(F)(F)F)c1ccccc1 341583292 CYHRNBXEAFKMHT-GFCCVEGCSA-N 256.271 3.573 30 20 CHED Cc1ccccc1C(C)(C)C(=O)Nc1ccc(F)c(C#N)c1 524456827 NXMYJKXIROGNKP-UHFFFAOYSA-N 296.345 3.922 30 20 CHED CO[C@@H](c1ccccc1)[C@@H](C)NCC(C)(C)CCC#N 348209218 XCMCYEXQQXYAEV-GDBMZVCRSA-N 274.408 3.682 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cc(F)ccc2OCC2CC2)C1 442863178 QKEJTUPEYIRKHE-GXTWGEPZSA-N 274.339 3.719 30 20 CHED Cc1ccc(C=NOCc2ccc(Cl)nc2)cc1 255562786 ZGXCIQCRXHENAH-UHFFFAOYSA-N 260.724 3.594 30 20 CHED C=CC[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1C(C)C 604881342 YFXRUOTVWSCIFS-CQSZACIVSA-N 297.402 3.690 30 20 CHED COc1cc(C)ccc1N[C@@H](C#N)Cc1ccccc1 603954745 GAPFVAGFHZQNRA-OAHLLOKOSA-N 266.344 3.550 30 20 CHED N#CCCN(CCC#N)Cc1ccc(F)c2ccccc12 602580799 HEBCQNJPFVTPQA-UHFFFAOYSA-N 281.334 3.608 30 20 CHED Cc1ccc(CSCCN[C@@H]2CC[C@H](C#N)C2)cc1 442649607 NDLCVJAWFUVUQF-JKSUJKDBSA-N 274.433 3.510 30 20 CHED Cc1nc2ccc(N[C@@H](C)CC3(C#N)CCOCC3)cc2o1 602578686 ZWVCLNDKGWRVBU-LBPRGKRZSA-N 299.374 3.647 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccnc(CCC)c1 353728890 PWRSSNATGYDUGI-UHFFFAOYSA-N 294.398 3.863 30 20 CHED C=CCOCCCS[C@@H](C)C(=O)Nc1ccccc1C 359138506 VLRBWXUJAAMLEM-AWEZNQCLSA-N 293.432 3.648 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cccc(CC)n1 449814700 SZXZFEFZDLDJSN-UHFFFAOYSA-N 294.398 3.515 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 359248301 YSHBDDUSEVJFEV-HIFRSBDPSA-N 288.439 3.747 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(OC)cc2)c1 255772158 KJOGPFYUSZEMHI-WDZFZDKYSA-N 282.339 3.738 30 20 CHED Cc1ccc(CN(c2cccc(F)c2C#N)C2CC2)o1 609585704 ZSCGKWRWSLAVHS-UHFFFAOYSA-N 270.307 3.768 30 20 CHED N#Cc1ccc(NCC2CCC(F)(F)CC2)cc1[N+](=O)[O-] 357700639 FQJNLDHKCABPEC-UHFFFAOYSA-N 295.289 3.704 30 20 CHED CC(C)N(C)c1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442887315 XSNZAZGPAZTRDW-HIFRSBDPSA-N 257.381 3.635 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](c1ccccc1)c1nc[nH]n1 449670652 QFNGNCLJQKNFMC-NVXWUHKLSA-N 298.434 3.661 30 20 CHED CC1(C)C[C@H](Nc2cccc(C#N)n2)c2ccccc21 532717825 URYALACQAWPDKC-HNNXBMFYSA-N 263.344 3.788 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H]1Cc1ccccc1 442672918 JUQLFCDOAUEYAP-HNAYVOBHSA-N 276.383 3.936 30 20 CHED C=CC(C)(C)C(=O)NCCOc1ccccc1C(C)C 448959284 DWHLLURYYZRMLS-UHFFFAOYSA-N 275.392 3.517 30 20 CHED C=CCC[C@@H](NC(=O)N(C)Cc1ccon1)c1ccccc1 269352299 NSIVFDSTIYIDGW-MRXNPFEDSA-N 299.374 3.524 30 20 CHED C=CCN(C(=O)c1ccc(C(C)(C)C)cc1)C1CC1 536822816 TWUSZRMUJQBRKN-UHFFFAOYSA-N 257.377 3.775 30 20 CHED C=CCSCCN[C@@H](COC)c1cccc(Cl)c1 353256968 ATSSWQMXNACXFI-AWEZNQCLSA-N 285.840 3.536 30 20 CHED CC[C@H](C)CN(CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 267119187 AORMATJLVIIJQN-KBPBESRZSA-N 287.407 3.697 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)[C@H]1C[C@H]2CC[C@H]1C2 449063440 MRXWDCGQOJXAFF-JKKVVXSLSA-N 260.425 3.873 30 20 CHED Cc1cc(O)c(C(C)C)cc1NC(=O)C1(C#N)CCCC1 269596948 VRPWSRFZTQLFTB-UHFFFAOYSA-N 286.375 3.847 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1CCCSCC#N 354827165 GNLNBFZSUDDDFZ-QWHCGFSZSA-N 292.423 3.780 30 20 CHED C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC#N 355949898 MNLXPRUKAMMFJW-OAHLLOKOSA-N 278.355 3.690 30 20 CHED C[C@H](NC(=O)[C@@H](C)C1CCCC1)c1cccc(C#N)c1 610522839 ZKDTYNZWWBGLCZ-STQMWFEESA-N 270.376 3.562 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)CSCc1ccccc1 440153024 HFSPBLJKXWQTEN-OAHLLOKOSA-N 291.460 3.981 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CC[C@@H](C)SC 358558609 FODMNBKWYMHTGV-CYBMUJFWSA-N 295.423 3.872 30 20 CHED CCc1ccc(-c2noc(CSCC3(C#N)CC3)n2)cc1 539516422 CKYRYFXMYRTJNR-UHFFFAOYSA-N 299.399 3.836 30 20 CHED C=CCOCC(=O)Nc1cccc(Cl)c1SC(C)C 356063725 WLNHSUZXFKOESW-UHFFFAOYSA-N 299.823 3.982 30 20 CHED CC[C@H](CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 264051876 MPCCGURUHMLSAU-QGZVFWFLSA-N 292.382 3.758 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1cccc(Cl)c1)C1CC1 536823949 YUSSRAUOURRPPG-LBPRGKRZSA-N 277.795 3.696 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1c(C)cccc1C 537233438 XZDDTTIKJLSBGD-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C=C[C@@H](CC(=O)Nc1cnc2n1CCCC2)c1ccccc1 452335870 SCXRQHXKDIOTJQ-AWEZNQCLSA-N 295.386 3.518 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CCC)C1CCCC1 459319538 PHCFYWDKHZIDGP-AWEZNQCLSA-N 252.402 3.563 30 20 CHED N#CCc1ccnc(NC(=O)CCCC2CCCCC2)c1 531924394 VDFOQHNIGCBIDS-UHFFFAOYSA-N 285.391 3.837 30 20 CHED CC[C@H](C)[C@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1 611251417 SOTGBEWAXPLBQT-XIRDDKMYSA-N 286.419 3.871 30 20 CHED C=C(C)[C@@H](CC(=O)NC[C@@H](CC)c1ccccc1)OCC 533713797 TUDIMKFRNJVMOW-NVXWUHKLSA-N 289.419 3.668 30 20 CHED CC(C)CC(CC(C)C)C(=O)N(C)CC(C)(C)C#N 452151176 ZGHQDPDWHPZXPM-UHFFFAOYSA-N 266.429 3.703 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@H](C)Cc1cccs1 537186365 RYIQCMKMLOCRGW-KGLIPLIRSA-N 294.464 3.971 30 20 CHED CC[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccs1 455283797 PWCNNWSDEUBNKS-RWMBFGLXSA-N 291.420 3.581 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccc(C#N)c(Cl)c1 619754908 OJZGPLLZINULQV-NEPJUHHUSA-N 262.784 3.902 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2c(F)cccc21 618802944 GHUPUCWLOFRFIS-RTBURBONSA-N 292.357 3.962 30 20 CHED CCc1ccc2occ(C(=O)NCC(C)(C)CC#N)c2c1 458041801 MRBCEQXWUISPRD-UHFFFAOYSA-N 284.359 3.665 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@H](c2ccccc2F)C1 360274948 OCWSMSQIHQQUQD-GXTWGEPZSA-N 281.334 3.841 30 20 CHED C[C@H](CCC#N)N[C@H](c1ccc(F)cc1)C1CCC1 276273890 DMYMAJFMMPRSBG-WBMJQRKESA-N 260.356 3.949 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)c2c(c1)OCO2 540535235 VZORNGJJYOUCFH-JTQLQIEISA-N 295.766 3.543 30 20 CHED C=CCC(C)(C)CNCc1cnc2ccc(Cl)cn12 549829133 UXVDBZXZZLQAFZ-UHFFFAOYSA-N 277.799 3.680 30 20 CHED Cc1cc(NC[C@@H]2CSc3ccccc32)cc(C#N)n1 450566129 RJVHNPTVALVKLI-GFCCVEGCSA-N 281.384 3.563 30 20 CHED Cc1nc(Oc2ccc3c[nH]nc3c2)c(Cl)cc1C#N 360065291 GXDFYNOLPXKBRT-UHFFFAOYSA-N 284.706 3.584 30 20 CHED N#CCCCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 360040053 WOOPWDYHUFUCGP-AWEZNQCLSA-N 276.767 3.697 30 20 CHED C[C@]1(c2ccccc2)CCCN([C@@H]2CC[C@H](C#N)C2)C1 278553768 HQTFVJXEOVYAGA-JQHSSLGASA-N 268.404 3.732 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2ccc(OC)cc2[nH]1 620863143 HFOUWSABHDVWRH-UHFFFAOYSA-N 286.375 3.651 30 20 CHED CCO[C@@H]1CCC[C@H]1Nc1ccc(C#N)c(Cl)c1 450931638 AUMGSZSEOOYREB-ZIAGYGMSSA-N 264.756 3.581 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N1CCC(CC#N)CC1 541978993 JKDKHRSRBSNNPE-KRWDZBQOSA-N 290.451 3.991 30 20 CHED C=CCOc1cccnc1-c1nc(CC2CCCCC2)no1 544436159 GFBSVJKPLPYCHC-UHFFFAOYSA-N 299.374 3.819 30 20 CHED Cc1nc2ccccc2nc1S[C@H]1CC[C@H](C#N)C1 278505644 DJKFBIAIHBDCEX-RYUDHWBXSA-N 269.373 3.723 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC)C(C)(C)C 622945866 WRYQWFMONJMWBC-LSDHHAIUSA-N 287.403 3.612 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C#N)cc1 466971039 LHGYIGHTCOEBDY-GDBMZVCRSA-N 285.391 3.991 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(C(C)(C)C)s1 468015078 AZDLASDIGXSKCW-CQSZACIVSA-N 266.410 3.981 30 20 CHED CSC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCC1 279108228 OYINYAAYPXLAAA-NSHDSACASA-N 278.396 3.634 30 20 CHED C=CCCn1cc(CN(C)C[C@H](C)C2CCCCC2)nn1 625987953 LZTGODNAIDDBPI-HNNXBMFYSA-N 290.455 3.502 30 20 CHED C=C(C)Cn1c(-c2ccccn2)nnc1N(CC)CCCC 460378844 ZWRXRGCHQNLICC-UHFFFAOYSA-N 299.422 3.543 30 20 CHED N#Cc1cccc(Cl)c1N1CCC(OCC2CC2)CC1 374129398 DRSZEQAOFGDWBW-UHFFFAOYSA-N 290.794 3.607 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](SCc1ccccc1)C(C)C 465111284 IQGPSIUUJWIILA-HIFRSBDPSA-N 277.433 3.635 30 20 CHED N#Cc1cccc(OCCNc2ccc(Cl)c(C#N)c2)c1 462217943 KFFYIWZZSQZTSM-UHFFFAOYSA-N 297.745 3.574 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1SCCc2sccc21 281050646 KEMSLHLETHGVRN-GXFFZTMASA-N 281.446 3.549 30 20 CHED CO[C@H](CON=C1CCC1)c1ccc(Cl)cc1 282335565 VNOAARZAMZEWEF-CYBMUJFWSA-N 253.729 3.584 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 465179660 QTFGRTAINLDIEK-IINYFYTJSA-N 291.782 3.912 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(-c3ccccn3)no2)n1 551494536 YEWGOKBTZYBFFK-UHFFFAOYSA-N 296.330 3.640 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)cs1 556887028 ORIGKCRUKKTSPH-NEPJUHHUSA-N 281.421 3.930 30 20 CHED C=CC[C@@H](C(=O)Nc1nccc(C2CC2)n1)c1ccccc1 637536894 NDXGRVOJALZKFC-OAHLLOKOSA-N 293.370 3.652 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cc(C(=O)OC)cs1 287477190 MQUDREKGKLJVNN-ZYHUDNBSSA-N 267.394 3.540 30 20 CHED CC(C)c1ccc2c(c1)[C@H](N=c1cc[nH]c(C#N)c1)CC2 557660496 PJGDDEDITAXZJN-GOSISDBHSA-N 277.371 3.598 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(C)c(F)cc1Cl 287384044 AGUYOUHNKIYZOC-VIFPVBQESA-N 283.734 3.601 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 552875314 MTOUNIIOUXNRGD-NSHDSACASA-N 285.334 3.913 30 20 CHED C=C(C)[C@@H](NCCOC1CCC1)c1ccc(F)c(F)c1 554266723 YKUMDRPTBBAJRX-MRXNPFEDSA-N 281.346 3.741 30 20 CHED C=CCN(Cc1coc(-c2cccc(OC)c2)n1)C1CC1 639559083 LIJLLNPEQVBQMV-UHFFFAOYSA-N 284.359 3.501 30 20 CHED CCCOc1cccc(N=c2[nH]ccc(C#N)c2Cl)c1 553311162 WCYYKBLMHRPAOG-UHFFFAOYSA-N 287.750 3.561 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 558983648 CWUZQAUDVZCCTH-TZMCWYRMSA-N 283.375 3.507 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccc(OC)cc1 280928475 UWWOUSVNWJHFPK-NXHRZFHOSA-N 289.419 3.717 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCC(C)(C)C1 474658819 JDBUQQNZIITWRQ-KBPBESRZSA-N 266.429 3.951 30 20 CHED C=CCCCC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 478264299 ULKRSUARUVYKQW-GDBMZVCRSA-N 275.367 3.934 30 20 CHED C#CCCCC(=O)N(C(C)C)[C@H](C)c1ccccc1 297645821 AVXRGJXVENWDOL-OAHLLOKOSA-N 257.377 3.788 30 20 CHED C[C@@H](Cc1cncc2ccccc12)C(=O)OCC(C)(C)C#N 805913847 SAOWECZEMXPMGK-ZDUSSCGKSA-N 296.370 3.506 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2CC[C@@H]2CC)cc1C#N 809636693 ZAJSGBJTOOPQIS-FZMZJTMJSA-N 287.363 3.727 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H](C)c1cccc(O)c1 297348498 NVMOKPGFVQZLJV-ZDUSSCGKSA-N 290.407 3.697 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccn(CC)c2)CCCCC1 649699280 BHGPOKPWNFOEAC-UHFFFAOYSA-N 288.435 3.993 30 20 CHED N#Cc1sc(NCc2cccc3cc[nH]c23)nc1Cl 804643582 ACCVBCQNBITJJI-UHFFFAOYSA-N 288.763 3.762 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C)c1ccc2n[nH]cc2c1 566314912 DCBUOIHBFWVGSM-SWLSCSKDSA-N 257.381 3.958 30 20 CHED Cc1ccccc1C(C)(C)NCc1ccccc1C#N 292888167 FNEWKWYXPSJGFK-UHFFFAOYSA-N 264.372 3.892 30 20 CHED C=C(C/N=C/c1cccc(OC)c1O)c1ccccc1 806551225 RPZBRPLNSUAXCZ-LDADJPATSA-N 267.328 3.533 30 20 CHED C=CCN(CC=C)[C@H](C)c1nc(-c2ccccc2C)no1 297937507 RQVZGLBTENMLLZ-CQSZACIVSA-N 283.375 3.780 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@H](c2ccc(CC)cc2)C1 294741437 YEGONGBPUONNQL-KRWDZBQOSA-N 283.415 3.614 30 20 CHED C=CCCCCNC(=O)c1cc(Cl)c(O)c(OCC)c1 474585349 LITUKWGDMXSMEV-UHFFFAOYSA-N 297.782 3.530 30 20 CHED C=C(C)C(C)(C)c1nc([C@@H]2CCOC(C)(C)C2)no1 643967845 BNOQKJSLUVNRJA-LLVKDONJSA-N 264.369 3.596 30 20 CHED C=CCNC(=O)c1ccc(OCCC)cc1OCCCC 478202768 CLIUBXGJQPANFC-UHFFFAOYSA-N 291.391 3.570 30 20 CHED CCc1ccc(OC(=O)CCCCCC#N)c(OC)c1 805904293 KGWFYTQUMHVUSL-UHFFFAOYSA-N 275.348 3.637 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2cccc(O)c2)cc1OC 299735858 KURXRXDMKRWJBK-FPLPWBNLSA-N 298.338 3.614 30 20 CHED Cc1cc(OC(=O)c2ncoc2C2CC2)c(C)c(C)c1C#N 297853504 SCXQRGJRGXAWDB-UHFFFAOYSA-N 296.326 3.568 30 20 CHED C#C[C@@H](C)NCc1c(OC(F)F)ccc2ccccc12 809683329 ZEVKOEZCSZOBHF-LLVKDONJSA-N 275.298 3.553 30 20 CHED C=C(Cl)CN[C@H](C)c1nc(C2CCCCC2)no1 299488835 ZXUDJFHPWMKQTN-SNVBAGLBSA-N 269.776 3.520 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)c2ccccc2O1 472237001 GTBCWSAVQHXMBG-CYBMUJFWSA-N 258.365 3.604 30 20 CHED C=CCCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 564802481 ATXGACPLVSWDQB-NSHDSACASA-N 276.336 3.954 30 20 CHED C#Cc1ccc(CN[C@H](C#C)c2ccc(Cl)cc2)cc1 811517692 ZXBFFEJTSIZUBX-GOSISDBHSA-N 279.770 3.785 30 20 CHED C[C@H]1CCCC1=NNc1cc(Cl)nc(Cl)c1 819831185 JUZNOYNABRAGMK-ZETCQYMHSA-N 258.152 3.976 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCCCCCC1 812176722 JOGOUBPYZBVALL-UHFFFAOYSA-N 276.428 3.748 30 20 CHED C#CCCc1noc([C@H](CC)Cc2ccccc2C)n1 818383846 GJCQYZIPXYZUBG-CQSZACIVSA-N 268.360 3.680 30 20 CHED FC(F)(F)CCON=Cc1conc1Cc1ccccc1 814909749 KETOTJOVLDFFTE-UHFFFAOYSA-N 298.264 3.568 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)c(F)c1 484022716 XURVAUOWGQHIMV-CYBMUJFWSA-N 288.288 3.764 30 20 CHED CC(C)[C@@H]1CC(=NNc2cc(F)cc(F)c2)CS1 814813717 WJWFTTHCCFMYKO-ZDUSSCGKSA-N 270.348 3.894 30 20 CHED CCCCCCCCNC(=O)NC1CCC(N(C)C)CC1 817165911 XLFYPJKVSXBMTC-UHFFFAOYSA-N 297.487 3.519 30 20 CHED C=CCC[C@@H](C(=O)NCC1(C)CC1)c1ccccc1 489680870 NNTDRMAHXUBANO-OAHLLOKOSA-N 257.377 3.653 30 20 CHED C#Cc1ccccc1CC(=O)Nc1c(C)cc(C)cc1C 812822973 OBINIEGULFJVAR-UHFFFAOYSA-N 277.367 3.774 30 20 CHED CC#CCCNC1CCC(c2ccc(OC)cc2)CC1 482163180 KXNSEWPMEUMQBR-UHFFFAOYSA-N 271.404 3.724 30 20 CHED Cc1c(NN=C2CS[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] 814834637 OWPNOLHLCOULLT-CQSZACIVSA-N 293.392 3.833 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1Cl 485982166 UWXKYNWHPQLSBK-SECBINFHSA-N 290.775 3.764 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cccc(C(F)F)c1 489884549 MIBCQQYQHZGRLY-UHFFFAOYSA-N 281.346 3.885 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1CCCCC 487683960 FJXICCFJBASRJF-KGLIPLIRSA-N 252.402 3.705 30 20 CHED COc1cccc(O)c1/C=N\CCSc1ccccc1 812396910 FTOKLYKTZBLYPG-ATVHPVEESA-N 287.384 3.612 30 20 CHED N#Cc1ccc(NCc2c(O)ccc3c2CCCC3)c(F)c1 811808654 NGFZCJWQHDPOGV-UHFFFAOYSA-N 296.345 3.894 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@@H](C)CCCC)c1 811719707 OFGNDYGJMIOHJX-ZDUSSCGKSA-N 274.433 3.875 30 20 CHED C=CC[C@@H]1CC[C@@H](NCc2noc(-c3cccs3)n2)C1 651822611 DFKLQGGCLWHMRS-VXGBXAGGSA-N 289.404 3.633 30 20 CHED C=CC[C@H](N[C@@H](C)C[C@H]1CCCCCN1)c1ccncc1 817893237 DAFZCKKIMZZJKW-JQHSSLGASA-N 287.451 3.599 30 20 CHED C[C@@H](C#N)CNc1ncnc2sc(C(C)(C)C)cc12 578166216 KPRWRJSRHCYTRY-VIFPVBQESA-N 274.393 3.560 30 20 CHED CN(Cc1ccc(C#N)cn1)[C@H]1CCC[C@H]1c1ccccc1 570525088 HDJYAOPBXCBNQL-OALUTQOASA-N 291.398 3.721 30 20 CHED CC[C@H](CN(CC)C(=O)NCC1(C#N)CC1)c1ccccc1 574705473 IWPZBEAWZXGZRJ-OAHLLOKOSA-N 299.418 3.515 30 20 CHED C=CCN(C(=O)[C@@H](CC(C)C)c1ccccc1)C1CC1 578578963 FOEBKWIMTMOWIW-KRWDZBQOSA-N 271.404 3.993 30 20 CHED C=CCCCCC[C@H](C)NCc1coc(CC)n1 825061753 JHATUGGWLHKKHN-ZDUSSCGKSA-N 250.386 3.852 30 20 CHED COc1ccc(CN[C@H](CCC#N)c2ccccc2)c(F)c1 573807510 AAKMNYZRFLFQEI-GOSISDBHSA-N 298.361 3.969 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CC1CCCC1 499307044 DWPFMODCLZSZOD-UHFFFAOYSA-N 271.404 3.824 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 729072325 IAJREYKUWWVAGK-VIFPVBQESA-N 289.158 3.880 30 20 CHED N#Cc1ccc(C(=O)NCc2ccc(C3CCC3)cc2)cc1 495156396 HLOFTRQVGIMIIF-UHFFFAOYSA-N 290.366 3.756 30 20 CHED Cc1ccccc1-c1ccccc1CNC[C@H](C)C#N 581231460 HIYLELZLDCCNQS-CQSZACIVSA-N 264.372 3.911 30 20 CHED C=CCOc1cccc(CN2CC[C@H](c3cccnc3)C2)c1 581727177 MEFXBVKCBORVIN-SFHVURJKSA-N 294.398 3.636 30 20 CHED C=CC[C@H](C)C(C)=NNc1nc2ccccc2n1C 727778918 TWPHKGIANUIIFD-NSHDSACASA-N 256.353 3.573 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H](C#N)Cc1cccs1 820447091 UNQQFEJSMWYHDD-LBPRGKRZSA-N 277.389 3.576 30 20 CHED CCCCCCCNC(=O)[C@H]1CCO[C@H](C(C)C)C1 826982488 XTXWNBSVOOGKTJ-GJZGRUSLSA-N 269.429 3.524 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)NCC(C)(C)C#N)c1 586806018 VBVYGQMENHXHKN-AWEZNQCLSA-N 286.419 3.655 30 20 CHED CC(C)c1cc(Sc2ccc(C#N)cc2)ncn1 495491513 YNZKEMZSGIYLCC-UHFFFAOYSA-N 255.346 3.623 30 20 CHED CC(C)N(C)C[C@@H](C)Nc1cc(C#N)ccc1C(F)(F)F 582937250 LTKCDGYRXXCMQF-LLVKDONJSA-N 299.340 3.718 30 20 CHED CCCCCCCCC(=O)N1CCCc2ccnc(O)c21 823779659 HBNUSPVZQZAEIX-UHFFFAOYSA-N 290.407 3.817 30 20 CHED Brc1ccc(NN=C2CCCCCC2)cn1 732711576 DDTCZJULCIHGJY-UHFFFAOYSA-N 282.185 3.966 30 20 CHED CCc1ccc([C@@H](NC(=O)NCC2(C#N)CC2)C(C)C)cc1 583600014 LSGXVJXBGCEQES-INIZCTEOSA-N 299.418 3.549 30 20 CHED C=CCC1(CNCc2cc(C)c(C(=O)O)o2)CCCC1 902266815 ASDYPMBTAQVOOM-UHFFFAOYSA-N 277.364 3.512 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccc2c(c1)CCO2 731320526 XLYHTNSCLBKMOC-KXFIGUGUSA-N 282.314 3.965 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(C)ccc1C(F)(F)F 667942759 QNNWNBAIKCAONF-VIFPVBQESA-N 272.270 3.710 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2cccc(Cl)c2)C1 839049672 JWHUFPQVEZMOIF-TZMCWYRMSA-N 277.751 3.508 30 20 CHED CCCCCCCCOCC(=O)N(C)c1ccc(F)cn1 839415798 AWNHZPWHUFKBNJ-UHFFFAOYSA-N 296.386 3.561 30 20 CHED C=C[C@@](C)(CC)c1nc([C@H](OCC)C(C)C)no1 904121221 KJTVVSUDJLNBDN-RISCZKNCSA-N 252.358 3.657 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1sccc1O 588598795 CIWXWKQVZAMWCT-PLNGDYQASA-N 266.268 3.628 30 20 CHED CCn1cncc1/C=C1/C(=O)c2ccccc2[C@H]1C(C)C 901500911 UTQWPGIZHJRQDN-JDZKTDJGSA-N 280.371 3.923 30 20 CHED C=CC[C@@H](OC(=O)CSC1CC1)c1ccccc1 835324710 RZXFCWVQQKHLMM-CQSZACIVSA-N 262.374 3.743 30 20 CHED CC(C)(C)CCNN=Cc1cnc(CC(F)(F)F)s1 901216180 BINBWYXLGIGMBT-UHFFFAOYSA-N 293.358 3.608 30 20 CHED C=CC[C@H](N[C@H]1CCc2cccc(O)c21)c1ccncc1 834590350 UHMITFREVVNWNS-HOTGVXAUSA-N 280.371 3.682 30 20 CHED N#C[C@@]1(C(=O)OC[C@H]2CCCCC2(F)F)CC12CCCC2 837903575 WAJCWMKORMCNRL-IUODEOHRSA-N 297.345 3.829 30 20 CHED Clc1ccccc1NN=Cc1c[nH]nc1-c1cccnc1 839384253 VIMILNYZWWNMJX-UHFFFAOYSA-N 297.749 3.571 30 20 CHED CCn1ccnc1C(=O)/C=C\c1cnc(C(C)(C)C)s1 901555878 KNWLNNIQXZPGRT-SREVYHEPSA-N 289.404 3.553 30 20 CHED CC(C)ON=C1CCC(N(C)Cc2ccccc2)CC1 835003553 VJZKAJLLTHCXKI-UHFFFAOYSA-N 274.408 3.842 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCc2c(C)cc(C)cc21 589389420 PIPFBPMABGDTNT-OAHLLOKOSA-N 287.403 3.564 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccccc1OC(F)(F)F 839326342 FJRROOSTRVKUMR-UHFFFAOYSA-N 296.191 3.702 30 20 CHED CC(CCCc1cccnc1)=NN[C@H]1CCCC1(C)C 834976432 DVRPTCXGGZZUSF-INIZCTEOSA-N 273.424 3.949 30 20 CHED C#CC1CCN(C(=O)Nc2cc(C)c(F)cc2Cl)CC1 831792925 CKOGQIIFICWACS-UHFFFAOYSA-N 294.757 3.665 30 20 CHED C=CC[C@@H](NC(=O)N(C)[C@H](C)c1ccco1)c1ccncc1 734682393 COWYNHOIYVTAHN-UKRRQHHQSA-N 299.374 3.694 30 20 CHED CC1(C)CN(c2c(C#N)cnc3c(Cl)cccc23)C1 591936288 XOJOYTHYCOFBDB-UHFFFAOYSA-N 271.751 3.606 30 20 CHED CC(C)CC[C@@H]1CCC(=NNCCc2ccccn2)C1 834977140 QTVWSXWJKBKLTD-OAHLLOKOSA-N 273.424 3.806 30 20 CHED C[C@@H]1CCN(C(=O)CC2(C#N)CCCCC2)CC1(C)C 597505924 STSALTOYOMILHX-CQSZACIVSA-N 276.424 3.745 30 20 CHED CCCNN=C[C@@H](C)c1cccc(Br)c1 747632408 CIRSXMYIBMYYSF-SNVBAGLBSA-N 269.186 3.538 30 20 CHED C=C(C)CNC(=S)Nc1cc(C(F)(F)F)ccc1C 746391696 DXELSAKAFMACHY-UHFFFAOYSA-N 288.338 3.876 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1C(=O)CCCC#N 597886607 ROJQMQUJWSZDMX-OAHLLOKOSA-N 270.376 3.661 30 20 CHED Cc1cc(/C=C2/CCc3c(C)ccc(C)c3C2=O)n(C)n1 841486958 LPNVMGLBFOJNBS-UVTDQMKNSA-N 280.371 3.558 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 596822121 DFQWYCHWFSYCKY-KBAYOESNSA-N 298.430 3.654 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1c(C)oc(C)c1C 748934673 XKOOJYRXHFUZAV-UHFFFAOYSA-N 283.327 3.742 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C/C=C/c2ccco2)o1 746498608 YAICDTAIYJJUQW-RGPRWDKUSA-N 284.319 3.548 30 20 CHED Cc1ccc(C#N)nc1NC[C@H]1CSc2ccccc21 596254826 HWLTWBUNLWHNOD-LBPRGKRZSA-N 281.384 3.563 30 20 CHED CC1(C)CCC/C(=C/c2cnc(C(C)(C)C)nc2)C1=O 840715891 ICSLKVXFNQJKBO-LCYFTJDESA-N 272.392 3.937 30 20 CHED C=CCN(C(=O)[C@H](C)CCc1ccccc1F)C(C)C 742638857 MJGXMBCMZZQUAO-CQSZACIVSA-N 277.383 3.817 30 20 CHED C=CCOC(=O)[C@@H](C)c1ccccc1C(F)(F)F 744042137 JSOUVZUVTWZTHJ-VIFPVBQESA-N 258.239 3.538 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](C3CCC3)C2)c1 591346475 QZHRQIOBUHVFIL-OAHLLOKOSA-N 283.375 3.521 30 20 CHED CCOc1ccc(C(=O)/C=C2\COc3ccc(F)cc32)cc1 918155551 URKRIQQXMJRKDQ-UKTHLTGXSA-N 298.313 3.883 30 20 CHED C=CCCSCCN[C@H](C)c1sc(CC)nc1C 595057160 BFQUIWSWGCDQBW-LLVKDONJSA-N 284.494 3.974 30 20 CHED COc1cc2ccccc2cc1C(=O)NCC(C)(C)CC#N 590915840 YWMNMJWDYMYNIW-UHFFFAOYSA-N 296.370 3.518 30 20 CHED CC1(C)CN(c2nc(C#N)c(Cl)s2)[C@@H]2CCC[C@@H]21 596248251 VADDQNWNFAPIKK-WCBMZHEXSA-N 281.812 3.683 30 20 CHED CSCC(=NNc1cccc(C#N)c1)c1ccccc1 749442918 AXIHLCQOPMGBSJ-UHFFFAOYSA-N 281.384 3.737 30 20 CHED C=C(C)CN(CC)C(=O)CSC[C@@H](CC)CC(F)F 596397710 UFVHAYQUBUWULC-LBPRGKRZSA-N 293.423 3.826 30 20 CHED C=C[C@H](CC(=O)N1CCC(F)(F)CC1)c1ccccc1 684519234 DZDXMJXKBARRKK-CYBMUJFWSA-N 279.330 3.604 30 20 CHED N#CC1(Cc2nc(-c3cccs3)no2)CCCCC1 594730608 SMJBKULNHIUHOQ-UHFFFAOYSA-N 273.361 3.815 30 20 CHED Cc1ccc(SCC(=O)OCCCCC#N)c(C)c1 914616679 AHFFGGDLNFAXNK-UHFFFAOYSA-N 277.389 3.633 30 20 CHED N#Cc1c(F)cccc1SCCCN1CCCCC1 590596878 XITNHDRTORLGKH-UHFFFAOYSA-N 278.396 3.665 30 20 CHED CCC(C#N)(CC)C(=O)NCC1(CC(C)C)CCC1 599659209 FVLZSPSOMWHKHF-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C=C[C@@H](C)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 685425281 KAQFBCINVAGLAY-GHMZBOCLSA-N 257.299 3.973 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](CC)c1ccc(Cl)cc1 844285502 VQGFYIZFIXOOPC-GWCFXTLKSA-N 282.771 3.596 30 20 CHED C=C[C@@H](OC(=O)[C@H]1CCC(F)(F)C1)c1ccccc1 851452795 WQDJGICFZPXRAG-QWHCGFSZSA-N 266.287 3.892 30 20 CHED C=CCCOCC(=O)Oc1ccc(C(C)(C)C)cc1C 920788262 CRIXTMLXZCVIGA-UHFFFAOYSA-N 276.376 3.791 30 20 CHED C#CC(=O)N[C@H](c1ccccc1C)C1CCC(C)CC1 754025471 SMVVPZLMRFGYOL-RWKZGTHUSA-N 269.388 3.612 30 20 CHED CC(C)c1scnc1C(=O)O[C@H](C)CC(C)(C)C#N 851203631 CJLITFWMCYXMEG-SNVBAGLBSA-N 280.393 3.752 30 20 CHED COCC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(C)o1 926110024 PBTGERGBIFNLNW-GXTWGEPZSA-N 278.396 3.584 30 20 CHED C=CCC[C@H](NCc1ccc(Cl)c(Cl)c1)C(=O)O 756389669 RKVVBMLHYGKVKF-LBPRGKRZSA-N 288.174 3.502 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1c1c(C)cccc1C 852201656 KDEKALJEFJAHDX-KRWDZBQOSA-N 298.430 3.953 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)CC(CC)CC 759280780 DYUADGAVEINXBT-UHFFFAOYSA-N 275.348 3.689 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(F)c(C)c1)c1ccccc1 757580969 VJUSWHJNTOZTHA-QGZVFWFLSA-N 281.330 3.629 30 20 CHED CC#CCCCC(=O)N1CCCC[C@H]1c1ccccc1OC 680997597 KJSPJMCXBFHDTF-KRWDZBQOSA-N 299.414 3.942 30 20 CHED C=CCC[C@H](NC(=O)N[C@H]1C=CCC1)c1ccccc1 852221033 MJPHLHAAKUUQBL-HOTGVXAUSA-N 270.376 3.712 30 20 CHED CN1/C(=C/C=NOCC(F)F)C(C)(C)c2ccccc21 758906052 AGACQXBIUHGKDA-VVMABDMOSA-N 280.318 3.565 30 20 CHED COCC(=NNc1ccc(Br)cc1C)C1CC1 754259179 MIPOLSLAEYRPBS-UHFFFAOYSA-N 297.196 3.582 30 20 CHED Cc1ccc(F)c(NN=Cc2csc(C3CC3)n2)c1 759653061 NSVPWAGLGDRPGJ-UHFFFAOYSA-N 275.352 3.914 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1ccc(F)c2ccccc12 854482700 CDBRPIGNMUZNJC-CYBMUJFWSA-N 283.346 3.816 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CC[C@H]2C[C@@H]2C1 856065958 QHRRPHMAHJMTJR-BBWFWOEESA-N 295.467 3.747 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC=C(c2ccccc2)C1 935884267 WUVMSWGRDOCNRK-OAHLLOKOSA-N 269.388 3.905 30 20 CHED Fc1ccc(C=NNc2ccccn2)cc1C(F)(F)F 755519251 IXCGJWORUOMCGX-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)[C@H](OC)c1ccccc1F 935253262 XHQVKIREUWPOST-AHIWAGSCSA-N 293.382 3.620 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCCO[C@H](c2ccccc2)C1 932066453 DNJUBQPCZKLVPI-RDJZCZTQSA-N 287.403 3.579 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccc(N)cc1C 758120147 KBILJNFZSATYBN-UHFFFAOYSA-N 290.370 3.962 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(Cl)c(C)c1)c1ccccn1 759547530 IQTGCALURUBRPE-MRXNPFEDSA-N 299.757 3.965 30 20 CHED C=C1CN(C(=O)Nc2cccc(SC(F)(F)F)c2)C1 932066941 JYTWAQQHQWYASR-UHFFFAOYSA-N 288.294 3.702 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C[C@H](C)O2 933145415 HFSZXIGKIATLQV-WFASDCNBSA-N 286.375 3.582 30 20 CHED CCc1ccc(N=Cc2cccc(O)c2O)cc1C 769551467 LIDLEEBZVPOEKW-UHFFFAOYSA-N 255.317 3.719 30 20 CHED C=CCNC(=S)N(CC(C)C)c1ccc(Cl)cc1 761824717 PGSUZDHYNTVRJC-UHFFFAOYSA-N 282.840 3.863 30 20 CHED CCC(=NOCC(F)(F)F)c1cc(F)ccc1F 764845352 VBJBHOVDXLJEAA-UHFFFAOYSA-N 267.197 3.658 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)c2cc(C#N)ccc2C)s1 933251100 OZHRQMJYXLSYEF-LBPRGKRZSA-N 298.411 3.598 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc(C)s1 761885052 PIZUMLWIPRIBCJ-UHFFFAOYSA-N 264.325 3.650 30 20 CHED C=CCCC(C)=NNc1ccnc(Br)c1 769797863 DHWUPQJJMMOSNE-UHFFFAOYSA-N 268.158 3.598 30 20 CHED CC[C@@H](C)N(CC)C(=O)Nc1ccccc1O[C@H](C)C#N 930761954 YGYUJEMFJIVNAD-CHWSQXEVSA-N 289.379 3.630 30 20 CHED CCC(CC)(CC)C(=O)OCc1ccc(OCC#N)cc1 761474522 RZPBBVWSHUZEBO-UHFFFAOYSA-N 289.375 3.849 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(C#N)cc1F 769828318 RDXVDIDARVUAPM-UHFFFAOYSA-N 271.270 3.591 30 20 CHED CC(C)n1cc2c(n1)[C@@H](/N=C/c1ccccc1O)CCC2 764888671 SEEPOOAUSVQHIZ-ZNBBLSJYSA-N 283.375 3.666 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNCC(F)(F)F 769808844 UPGWFKZCIKZYJS-UHFFFAOYSA-N 272.314 3.882 30 20 CHED O=C(/C=C/c1nc2ccc(F)cc2s1)c1cscn1 761479729 MSYRRPZKXBQMLP-ONEGZZNKSA-N 290.344 3.788 30 20 CHED Cc1cc(C=NNc2ccc(Cl)nc2)c(C)s1 760259201 CBWZPIAEGGFLLD-UHFFFAOYSA-N 265.769 3.859 30 20 CHED C[C@H]1CCCC(=NNc2ccc(C(C)(C)C)nn2)[C@@H]1C 1116515483 HQEHLVODUQLIQB-NWDGAFQWSA-N 274.412 3.998 30 20 CHED C=CCCC(=O)COC(=O)c1cc(SC)ccc1Cl 761359767 HJQPBUCLYQABNR-UHFFFAOYSA-N 298.791 3.754 30 20 CHED C=CCCCC(=O)OCc1cccc(OC(C)(C)C)n1 768560157 CSNONZNODWVGOC-UHFFFAOYSA-N 277.364 3.658 30 20 CHED N#CCCCCNc1cc(-c2cccc(Cl)c2)ncn1 872443188 VGTVXJNSTRMAAO-UHFFFAOYSA-N 286.766 3.903 30 20 CHED C#CCCCCCCNc1ccc2c(=O)[nH]ccc2c1 877624642 FXJYSCRUQIFZMA-UHFFFAOYSA-N 268.360 3.524 30 20 CHED C=C(CC)COC(=O)CCC(=O)c1ccc2c(c1)CCC2 773475619 APCNIRKVESWZTL-UHFFFAOYSA-N 286.371 3.648 30 20 CHED COc1cccc(NN=CC2([C@@H]3CCCCO3)CCC2)c1 872338904 QAGBQFIHUZSQCQ-INIZCTEOSA-N 288.391 3.832 30 20 CHED C=C(C)CNC(=S)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 774203405 BSDNYASAKYGDEF-AWEZNQCLSA-N 296.386 3.622 30 20 CHED Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1N(C)C 776165035 NMRPMTWZLAPWTQ-HNNXBMFYSA-N 293.414 3.784 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 779832414 MSYOPBITCVXOJP-BPKGMFCQSA-N 273.420 3.511 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@@H](CO)C1 775524330 FXYZJQCWKMADIP-IAGOWNOFSA-N 297.483 3.994 30 20 CHED Fc1ccc(C#CCSc2nccn2C2CC2)cc1 771148787 WWKIYLBWGIMPMR-UHFFFAOYSA-N 272.348 3.501 30 20 CHED C#CCOc1ccccc1NCc1ccc(OC)c(C)c1 775360492 FVBVGSRDJKQNDR-UHFFFAOYSA-N 281.355 3.628 30 20 CHED C[C@H](CCC#N)CNc1ccc(N2CCCC2)c(F)c1 876824439 PGPSGKXRKGPVKF-CYBMUJFWSA-N 275.371 3.778 30 20 CHED CC(=O)[C@@](C#N)(CCSCC1CC1)c1ccccc1 871671461 LJHSPYDGKQTFIC-INIZCTEOSA-N 273.401 3.570 30 20 CHED CC(C)(C)OC(=O)NC[C@H]1CCCC1=NOC1CCCC1 774608543 PEKIPOUGXFMTSQ-GFCCVEGCSA-N 296.411 3.626 30 20 CHED CC(=NNc1nccc2sccc12)[C@H]1CCCOC1 779772179 UWIZUWNQOVFSKT-NSHDSACASA-N 275.377 3.511 30 20 CHED C[C@@H]1C[C@@H](C/N=C/c2c(O)ccc3ccccc23)CCO1 770569172 RGBKVTNSLIDZFN-UVIBUBJOSA-N 283.371 3.779 30 20 CHED C#C[C@H](C)NC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 773586264 ADZBSGLRKMHPEZ-SWLSCSKDSA-N 290.382 3.624 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccnc(Cl)c1 779461080 UUMANRZUCSMMCE-UPHRSURJSA-N 294.719 3.601 30 20 CHED C=C[C@H](C(=O)Nc1ccnn1C1CCCC1)c1ccccc1 1123637668 JOHWFTLAFCITJG-INIZCTEOSA-N 295.386 3.907 30 20 CHED C#CCCCCCC(=O)N1c2ccccc2CC[C@H]1C 779742492 PLBXHOOHZBQSNG-OAHLLOKOSA-N 269.388 3.938 30 20 CHED N#CCCCCCC(=O)Nc1ccc(-c2ccon2)cc1 886956289 XLEPRNNJYVKGOP-UHFFFAOYSA-N 283.331 3.754 30 20 CHED Clc1ccnc(NN=Cc2c[nH]c3ccccc23)c1 777913793 SHYPUHPZCIQDEG-UHFFFAOYSA-N 270.723 3.662 30 20 CHED COC(=O)c1coc(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)c1 774134687 MTVHJBPUTABXLZ-OXFWXOROSA-N 296.322 3.758 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C(C)=C(/C)CC 779835047 YOGNOZOEGKOYLQ-PFONDFGASA-N 257.377 3.948 30 20 CHED FC(F)(F)CCON=Cc1ccc2ncccc2c1 777462853 OOUWEPKJNKYZNX-UHFFFAOYSA-N 268.238 3.538 30 20 CHED C=CCC1(O)CCN(Cc2c(C)cccc2Cl)CC1 886778635 LJSBHNHMSWDEBV-UHFFFAOYSA-N 279.811 3.551 30 20 CHED COC[C@@H](C)NN=Cc1ccc(-c2ccc(C)cc2)s1 777894147 GBICKVZNMUANOB-CYBMUJFWSA-N 288.416 3.682 30 20 CHED Fc1ccc2c(c1)OCCCC2=NNc1ccccc1F 781586394 LCLLUIHVZPFQOX-UHFFFAOYSA-N 288.297 3.954 30 20 CHED C=CC[C@@H](C(=O)Nc1ncc(CC)o1)c1ccccc1 889389002 JXIRIVHUCDDONB-CQSZACIVSA-N 270.332 3.535 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCc1cc(F)cc(F)c1 782250058 RHYHHESMQAZACG-AATRIKPKSA-N 299.276 3.593 30 20 CHED C=C(Br)CN1C[C@H](C(F)(F)F)CC[C@@H]1C 780385129 MCQLKYBPISNSIO-DTWKUNHWSA-N 286.135 3.558 30 20 CHED CC(=NNC1CCCCC1)c1c(C)nn(C(C)C)c1C 786042097 KQXHXJRBABELQS-UHFFFAOYSA-N 276.428 3.727 30 20 CHED FC(F)CNN=Cc1cc(Cl)cc(C(F)(F)F)c1 780227467 NQNZRNBYJZSICM-UHFFFAOYSA-N 286.631 3.547 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1CO[C@@H](C)C1 784070646 KOHJSUOZDHTAGF-KKUMJFAQSA-N 269.429 3.524 30 20 CHED C=CCC1(C(=O)OCc2csc(C3CC3)n2)CCC1 784927392 NGTGXTHVLIFMSU-UHFFFAOYSA-N 277.389 3.810 30 20 CHED COc1cccc(/C=N/C[C@H](SC)C(C)(C)C)c1O 783682155 RQLPBQAMFQHKEZ-WFSQQTBHSA-N 281.421 3.597 30 20 CHED CCOC(=O)[C@@H]1CCC(=NN[C@@H]2CCCC2(C)C)C[C@H]1C 782287719 NPFLSSYUOGEWGZ-BPLDGKMQSA-N 294.439 3.510 30 20 CHED C=C1CCC(C(=O)Nc2ncc(Cl)cc2C)CC1 891085346 ZYGPZGCVRFTSGQ-UHFFFAOYSA-N 264.756 3.728 30 20 CHED C#Cc1cccc(NCc2cc(C(=O)OC)ccc2Cl)c1 781122231 QRUXUWSVGULRMT-UHFFFAOYSA-N 299.757 3.720 30 20 CHED N#Cc1ccc(COC(=O)C2=CCCCC2)c(Cl)c1 784243883 KDKDFEKKOWFKOT-UHFFFAOYSA-N 275.735 3.755 30 20 CHED CCN(CCC#N)Cc1ccc(F)c2ccccc12 1139890792 FVHNMGYUOXPJAC-UHFFFAOYSA-N 256.324 3.714 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1nsc2ccccc12 892728697 QBAYJMRCAGLVNM-UHFFFAOYSA-N 274.389 3.861 30 20 CHED CCc1nc(C=NNc2ccc(C#N)c(Cl)c2)cs1 783878235 SMBPWTDPNHDSIU-UHFFFAOYSA-N 290.779 3.677 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(N(CC)CC)cc1 785533871 FYGPOHXJVPARAK-SFHVURJKSA-N 288.435 3.751 30 20 CHED COc1cc(NN=Cc2ccc(Cl)nc2)ccc1Cl 788471912 JVSYXKFCZIEMLZ-UHFFFAOYSA-N 296.157 3.843 30 20 CHED Cc1ccc(C2CC(=NN[C@@H](CO)c3ccccc3)C2)cc1 788470392 XCAWHYOPFBYOEG-NNBQYGFHSA-N 294.398 3.552 30 20 CHED C=C1CC(c2noc([C@@H](C)c3cccc(F)c3)n2)C1 896881658 DJKVJLXMPCGOQC-JTQLQIEISA-N 258.296 3.794 30 20 CHED C=C1CC(c2noc(-c3oc(SC)cc3C)n2)C1 896874565 RMLDQXLKMDZEHV-UHFFFAOYSA-N 262.334 3.794 30 20 CHED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1ccnc(F)c1 794720217 RXOJKPRCMGHJSW-JHMJBTLWSA-N 298.273 3.581 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1C#N 799305259 DARCZHJVLDGUHG-BLLLJJGKSA-N 270.376 3.517 30 20 CHED CCN(C[C@H](C)C#N)[C@@H]1CCc2cc(Cl)ccc21 795878550 CKGVCMRAYVKDCO-IAQYHMDHSA-N 262.784 3.809 30 20 CHED CCC1(CC)C(=NNc2cccc(Cl)n2)C[C@@H]1OC 793176067 XUUUYMOYMCARIO-NSHDSACASA-N 281.787 3.728 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2Cl)CCC1(F)F 893904307 DKOKCLAHJHTIHL-VIFPVBQESA-N 270.710 3.693 30 20 CHED N#C[C@H]1CC[C@H](NCc2nc(-c3ccccc3)cs2)C1 1206091832 UHCWNXZFWTZXFV-JSGCOSHPSA-N 283.400 3.592 30 20 CHED CCN(CC1CCC1)C(=O)c1ccccc1SCC#N 794282890 DWJGWPQZBCQGHC-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CC(=NNc1ncccc1F)c1ccccc1Cl 794980814 PGOIJNZJHKIZKZ-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CC=C(c2cccc(C)c2)CC1 791066058 AJDPXYOZPVCMOJ-SFHVURJKSA-N 296.414 3.596 30 20 CHED Cc1cc(/C=C2/CCc3ccc(O)cc3C2=O)cnc1Cl 794960518 UNCFWWNGCWAJRW-QPEQYQDCSA-N 299.757 3.962 30 20 CHED C/C(=C\Cl)CSCc1ccc(OCC#N)cc1 797811305 DIRCRSJCJZDZMD-DHZHZOJOSA-N 267.781 3.965 30 20 CHED CCc1ccnc(C/N=C\c2cc(Cl)ccc2O)c1 797784655 DGUDEBCBCSTPHH-MFOYZWKCSA-N 274.751 3.622 30 20 CHED CCn1nccc1/C=C1/CC(C)(C)c2ccccc2C1=O 794967661 HNWNZVQCINUPQT-QBFSEMIESA-N 280.371 3.851 30 20 CHED C[C@H]1C[C@H](NC(=O)Nc2sccc2C#N)CC[C@H]1C 1219354788 RVCWSAGSWONXKL-JFGNBEQYSA-N 277.393 3.566 30 20 CHED N#Cc1nc(N[C@H]2CCc3ccc(F)cc32)sc1Cl 1306962495 HNYSZDOFDZDFGF-JTQLQIEISA-N 293.754 3.907 30 20 CHED CN(CCCNCC(C)(C)CCC#N)C1CCCCC1 135138709 ITDVVQJSKNULTI-UHFFFAOYSA-N 279.472 3.561 30 20 CHED Cc1nc(N[C@H]2CCCc3c(F)cccc32)ccc1C#N 1163413549 UVFIYGHMBQFOPU-INIZCTEOSA-N 281.334 3.890 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)c2ccc(C)s2)c1 1319117719 CGOLXOOEUVLPQM-FPLPWBNLSA-N 286.352 3.739 30 20 CHED N#Cc1c(F)cccc1N1CCS[C@H]2CCCC[C@@H]21 301540140 BXJLGDMXDTWYSJ-GJZGRUSLSA-N 276.380 3.562 30 20 CHED N#CCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCC1 57626398 DDVWDTCFUWNSOV-UHFFFAOYSA-N 297.185 3.902 30 20 CHED CCS[C@H]1CCCC[C@@H]1Nc1cccc(CC#N)n1 1325710603 UKIGJEZXCBSFSY-KBPBESRZSA-N 275.421 3.624 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1oc2ccccc2c1C 557539282 KCWGYXPSAUFJJK-KGLIPLIRSA-N 273.376 3.576 30 20 CHED CC[C@H](Nc1cc(C#N)nc(C)n1)c1ccc(Cl)cc1 1184720870 YRDMNQXZUMWHMU-AWEZNQCLSA-N 286.766 3.873 30 20 CHED N#Cc1ccc(COC(=O)CC2(C#N)CCCCC2)s1 1328045592 ORJXTJGQTFJQDT-UHFFFAOYSA-N 288.372 3.527 30 20 CHED N#CC1(NC(=O)c2[nH]ccc2-c2ccccc2)CCCCC1 1324377312 GIBUKTHQSVFZMA-UHFFFAOYSA-N 293.370 3.638 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(C2CCCC2)CC1 599610190 DDJGAZLLAOCJCV-UHFFFAOYSA-N 276.424 3.745 30 20 CHED CCCCCCCCC(=O)N1CCC(C(C)(C)O)CC1 716372530 HETLSLHSJMKQFS-UHFFFAOYSA-N 283.456 3.747 30 20 CHED C=CC[C@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 661378525 IFLBSEYCVCTNJN-ZDUSSCGKSA-N 262.397 3.760 30 20 CHED CN(C)c1ccc(CCNc2ccc(Cl)cc2C#N)cc1 1251646589 VUWNOJGCIRQRSQ-UHFFFAOYSA-N 299.805 3.932 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1cc(C#N)ncn1 1185149925 WLVFOQIVQIURRA-TZMCWYRMSA-N 272.396 3.613 30 20 CHED N#Cc1ccc(C[S@](=O)Cc2ccc(Cl)cc2)cc1 78299561 UIIIZUVYIVDXKK-LJQANCHMSA-N 289.787 3.661 30 20 CHED N#Cc1ccc(CNc2ccn(C3CCCCC3)n2)cc1 1339156027 KFHDTZRHEJJDLK-UHFFFAOYSA-N 280.375 3.872 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)[C@@H]1CCCC[C@@H]1C 1336953436 HQKACSOBJJFDBP-BLLLJJGKSA-N 288.366 3.738 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)CC1 1332673410 GWERPDIFIDLQCQ-SJORKVTESA-N 293.451 3.833 30 20 CHED CC(C)C#CC(=O)N1CCc2cc(C(C)(C)C)ccc2C1 1333865777 IVSKQEPLJIBYID-UHFFFAOYSA-N 283.415 3.528 30 20 CHED CC[C@H](C#N)N(CC)C(=O)/C(C)=C/c1ccc(C)cc1 1340891225 HBFWEPFKOQAXSU-WSYSLRRZSA-N 270.376 3.549 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1343310860 CFPTXAIENXJUAS-WONIAPNHSA-N 280.302 3.500 30 20 CHED CCCC[C@H](CC)CC(=O)[C@H](C#N)c1ncc(Cl)n1C 1347338565 SCFUKTYEMGPTQX-RYUDHWBXSA-N 295.814 3.856 30 20 CHED C=C(C)CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1353540224 DNSCBKUVEWPQID-UHFFFAOYSA-N 290.363 3.688 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c(F)c1F 1352467967 JGIJLGMVQGSLQE-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)C1 1434887995 VLENVIRSMLHTAF-RYUDHWBXSA-N 290.794 3.768 30 20 CHED Cc1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)cc1-n1cccc1 1357608358 DYZZGACBPLXBQF-ZBFHGGJFSA-N 294.354 3.635 30 20 CHED C[C@H](NC(=O)c1ccc(F)c(C#N)c1)C1CCCCCC1 1515021068 ZRYMCLWMYHOAIS-LBPRGKRZSA-N 288.366 3.786 30 20 CHED CC(C)Oc1ccccc1C(=O)O[C@H](CC#N)c1ccco1 1526992413 MWRSBKBWTNNYGL-MRXNPFEDSA-N 299.326 3.879 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cc2ccncc2s1 1457402846 XVVBPKXUICWFHT-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1sccc1C#N 1528587301 ROQUUKXBTBMABY-GXTWGEPZSA-N 290.432 3.956 30 20 CHED C[C@H](OC(=O)c1cc2ncccc2o1)c1ccc(C#N)cc1 1531747635 NIKBFCOTNMLEHQ-NSHDSACASA-N 292.294 3.617 30 20 CHED COc1cc(NC(=O)C[C@H](C)CC(C)C)c(F)cc1C#N 1533716639 AJWHENYLYBJQFJ-LLVKDONJSA-N 292.354 3.717 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1466957286 QPOVGNMVSSLFLI-IAGOWNOFSA-N 284.403 3.578 30 20 CHED COc1nccc2c(NCC(C)(C)CCC#N)cccc12 1461841086 FFEVWBCGLFVQLS-UHFFFAOYSA-N 283.375 3.985 30 20 CHED Cc1ccc(SCc2ccccc2C(=O)O)c(C#N)c1 1600485374 MSXHAOLZOFYMIF-UHFFFAOYSA-N 283.352 3.857 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)ccc1F 1537237914 SVZXJJUHPHDECX-CZUORRHYSA-N 288.366 3.786 30 20 CHED COc1cccc([C@@H](C)Sc2nnc(C)c(C)c2C#N)c1 1612112482 NSSPMANJRWVNHZ-GFCCVEGCSA-N 299.399 3.827 30 20 CHED CCC(C)(C)Nc1nccc(Oc2cccc(C#N)c2)n1 1611749391 JOZJUKGUSKHCCS-UHFFFAOYSA-N 282.347 3.741 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1cccc(F)c1C#N 1612516262 JUTKFJNDQWHOEK-LBPRGKRZSA-N 279.318 3.766 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1ccc(C#N)c(O)c1 1629934948 NOBZUEAELWTKIW-CYBMUJFWSA-N 288.391 3.600 30 20 CHED Cc1cccc(-c2cccc(C(=O)N=C3C[C@@H](C)ON3)c2)c1 1637839903 AQNGVRWGQQWUSX-CYBMUJFWSA-N 294.354 3.514 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 839190887 KQWJMAAIAGLCFE-KGLIPLIRSA-N 251.418 3.820 30 20 CHED Cc1cc(CN2CCC[C@@H](C#N)C2)ccc1C(F)(F)F 1653090869 GEWGXBCHBJQHSV-ZDUSSCGKSA-N 282.309 3.749 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OC)c(C#N)c1 1595801717 AEBPPXUTSQRSQL-WFASDCNBSA-N 286.375 3.722 30 20 CHED CC[C@H](NN=C1CCC[C@H](C2CCCCC2)C1)C(=O)O 1776067706 HSPBBZNQFRXAHT-ZFWWWQNUSA-N 280.412 3.566 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@@H](C)CC(C)(C)C)C1 1776154542 ISUCKBXFJBYFLX-YOEHRIQHSA-N 281.440 3.802 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1OC)[C@@H]1CC1(C)C 1776050665 RVAIGQKRCPPUCO-NSHDSACASA-N 290.363 3.617 30 20 CHED COc1cc(C#N)ccc1OCCCSCC(C)C 161740603 UPZHRSLQWMCSNV-UHFFFAOYSA-N 279.405 3.725 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCOCC)cc1 161963290 YLIQHLPTZPOVQA-CYBMUJFWSA-N 283.799 3.505 30 20 CHED CC(C)[C@H]1CCCC[C@@H]1NCc1cccc(OCC#N)c1 160339122 BRDDUFZTUILMTQ-MSOLQXFVSA-N 286.419 3.893 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(OC(F)F)cc1 163364701 OQOGBUFCZDRRFF-VIFPVBQESA-N 261.699 3.691 30 20 CHED CCN(C(=O)Cc1cc(C)ccc1C)c1ccc(C#N)cc1 152204915 DFYPZLKLYATOTR-UHFFFAOYSA-N 292.382 3.771 30 20 CHED N#CCC[C@H](NC(=O)c1cccnc1Cl)c1ccccc1 153204022 KGBWPUKQGNMETE-AWEZNQCLSA-N 299.761 3.510 30 20 CHED CC#CCCSc1nnc(-c2ccc(Cl)cc2)n1C 155018205 GOSURNJOZWYVDO-UHFFFAOYSA-N 291.807 3.641 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)CCC(C)(C)C 153847837 XGAFNKOQYCWAGN-ZDUSSCGKSA-N 252.402 3.585 30 20 CHED C=CCC[C@@H](CCC)NC[C@](C)(O)c1cccs1 157031854 ZLQCGKQAXLJSDK-HIFRSBDPSA-N 267.438 3.680 30 20 CHED CC(C)(C#N)CCN(Cc1cccc(F)c1)C1CC1 157728068 AFERFWZSXJMQCB-UHFFFAOYSA-N 260.356 3.730 30 20 CHED C[C@@H](NC(=O)C1CCC(C)(C)CC1)c1ccc(C#N)cc1 156539188 BMUFASXXGQWLHB-CYBMUJFWSA-N 284.403 3.952 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C#N)cn2)c2ccccc21 154868246 IVUMOTAQHGNQRE-OAHLLOKOSA-N 263.344 3.788 30 20 CHED C=CCN(Cc1ccc(OC(F)F)c(OC)c1)C(C)C 917069115 ICDGYTNHDSUFAM-UHFFFAOYSA-N 285.334 3.693 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccsc2Cl)c1 1596856203 NTQFYLIMVZBZND-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 37211364 ZDZGJPMOGNNHJI-GRDNDAEWSA-N 272.392 3.818 30 20 CHED CS[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 294455679 SUEJMPXFUYDQMS-NSHDSACASA-N 286.322 3.519 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)cc1 302735352 GQXWHMAGDYKJJI-AWEZNQCLSA-N 250.345 3.751 30 20 CHED C=CCOc1ccc(CN[C@H](C)C2CCSCC2)cc1 569014639 IFSUBLKJEMGFNB-CQSZACIVSA-N 291.460 3.873 30 20 CHED C[C@H](c1ccccc1Cl)N(C)CC(C)(C)C#N 405107359 HTROUIXEXFJCEC-LLVKDONJSA-N 250.773 3.883 30 20 CHED CCCCCCCCN[C@H](C)c1ncc(C(=O)O)s1 315063867 AASUHRCGJBDAMB-LLVKDONJSA-N 284.425 3.852 30 20 CHED C[C@@H](NCc1cccc(O)c1Cl)c1ccc(C#N)cc1 328282761 ZEMAZPAROWJSBE-LLVKDONJSA-N 286.762 3.768 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C#N)c2)C1 525534494 FUPYJSOFONQDMK-GHMZBOCLSA-N 276.767 3.976 30 20 CHED C[C@@H](CNCc1ccc(C#N)cc1F)c1ccccc1 83510120 GOAUTGWSWKMVOG-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED N#CCCC1CCN(C(=O)c2cccc(F)c2Cl)CC1 335384849 PICYLLREEJFMAY-UHFFFAOYSA-N 294.757 3.635 30 20 CHED CC(C)[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 444753785 JNXUMTZKLNYGLX-CQSZACIVSA-N 260.356 3.565 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CCc1cc(Cl)cc(Cl)c1 470159977 PFDRWQZIOBNDHR-CYBMUJFWSA-N 299.201 3.590 30 20 CHED Cc1cc(C#N)ccc1N[C@H]1CCCC(F)(F)C1 695130648 IFNQANFPWBPCBG-LBPRGKRZSA-N 250.292 3.857 30 20 CHED C=CCCC[C@H](C)NCc1cc(F)ccc1OC 398178150 NDDNITCYCVGNHP-LBPRGKRZSA-N 251.345 3.669 30 20 CHED Cc1cc2nnc(SCCCC#N)n2c2ccccc12 4843471 ZJPGGHCYZKMYKC-UHFFFAOYSA-N 282.372 3.587 30 20 CHED Cc1ncc(CSCc2cc(C#N)ccc2F)s1 109349294 GHSCULSCTAPKKW-UHFFFAOYSA-N 278.377 3.896 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCc2ccc(C#N)o2)CC1 469567551 UMLDZPJVNCPTPD-ZIAGYGMSSA-N 260.381 3.846 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C(C)=O)cs1 106612805 JDDGKSBDTLTZHF-UHFFFAOYSA-N 299.395 3.779 30 20 CHED COc1ccc([C@@H]2CCCN2CCCCC#N)c(OC)c1 57621096 FHDPTMUOKMPRQB-INIZCTEOSA-N 288.391 3.535 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCSc2c(F)cccc21 116946535 WALHBKAIGYHLFU-GXFFZTMASA-N 294.395 3.626 30 20 CHED Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)c(C)n1 119066742 UHHLLGGRUUTLBI-ZDUSSCGKSA-N 281.359 3.601 30 20 CHED COc1cccc(/C=N/C[C@H](C)Oc2ccc(C)cc2)c1O 173987427 AGPFKKCQMSDNCE-BXUJETTOSA-N 299.370 3.596 30 20 CHED Cc1c(C(=O)/C=C/c2cccc3ccccc23)cnn1C 179847572 DLKCDEFJWBGOHY-ZHACJKMWSA-N 276.339 3.778 30 20 CHED C=CCCCC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 175568156 CHJTZPBUCYAUOG-OAHLLOKOSA-N 293.794 3.596 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)[C@@H]1COc2ccccc21 301815548 DDYWKOCHZGNAHY-NHYWBVRUSA-N 282.318 3.674 30 20 CHED C=CCCC(=O)N(Cc1ccc(F)cc1)CC1CC1 115238697 KQBXRBWBRIWCFP-UHFFFAOYSA-N 261.340 3.531 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)cc1NC(C)=O 177829283 VYFGDNMRMGPFAP-UHFFFAOYSA-N 280.755 3.593 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2coc3ccccc23)C1 116811034 JXXKYQRGNSTFTD-PXAZEXFGSA-N 282.343 3.635 30 20 CHED C[C@H]1CCN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C 301949788 DEMWPISOXZTLNF-STQMWFEESA-N 265.360 3.589 30 20 CHED Cc1ccccc1OCCN[C@H](C)c1ccc(C#N)cc1 173981442 YKRFIOKXDYEXFA-OAHLLOKOSA-N 280.371 3.596 30 20 CHED CCC[C@@H](NCCCCC#N)c1cccc([N+](=O)[O-])c1 178645797 LNQZABHOVRBQHU-OAHLLOKOSA-N 275.352 3.719 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C1C(C)(C)C1(C)C 348524459 GVKIMTFWNJYRNO-UHFFFAOYSA-N 264.413 3.599 30 20 CHED COc1cccc(NCc2cccc(OCCCC#N)c2)c1 114759539 PJHLLFMMKIYAQI-UHFFFAOYSA-N 296.370 3.990 30 20 CHED C[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)[C@@H]1C 22727423 NMLWONCHPJZJMC-LOXUEPLVSA-N 276.336 3.544 30 20 CHED CC(C)(C)CN(CCC#N)Cc1csc(C2CC2)n1 120552618 HQMAJPIJZLFADM-UHFFFAOYSA-N 277.437 3.782 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cnc3ccccn23)c1 119140010 GIPPETQGNWYJLL-VOTSOKGWSA-N 276.339 3.847 30 20 CHED CC1CCC(=CC(=O)N[C@@H](C#N)C2CCCCC2)CC1 176644003 FOVZZSQTDJGXDN-VYIIXAMBSA-N 274.408 3.712 30 20 CHED C[C@H](NC(=O)CSc1ccccc1C#N)c1ccccc1 172680645 OZRSLILRSIYFNR-ZDUSSCGKSA-N 296.395 3.528 30 20 CHED Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)OCCCC#N 61725443 MQHOKMIELYBKEB-CQSZACIVSA-N 289.375 3.733 30 20 CHED CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)C12CCCCC2 303912430 RWMXEYICGCJIDN-ZWKOTPCHSA-N 298.430 3.776 30 20 CHED C=CCCCCNc1ccc(-c2nc(C)c(C)c(O)n2)cn1 302264008 QGVQIUSFLXOFFS-UHFFFAOYSA-N 298.390 3.629 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 185557479 BEJCORIQSQOWLY-LJQANCHMSA-N 283.415 3.616 30 20 CHED N#Cc1cnc2ccccc2c1N1C[C@H]2CC=CC[C@H]2C1 301407422 HRQVTBHIKAEALR-OKILXGFUSA-N 275.355 3.509 30 20 CHED C=CCCN[C@@H](c1ccccc1)c1nc2ccccc2n1C 125954803 OHEQPSBAENRMHZ-SFHVURJKSA-N 291.398 3.828 30 20 CHED CC1(C)CCCN(Cc2cccc(Cl)c2F)[C@@H]1C#N 444717786 NINOQZMOUKYPDO-CYBMUJFWSA-N 280.774 3.993 30 20 CHED C[C@H]1CCCN([C@@H](C)CNc2ccc(Cl)cc2C#N)C1 303173865 HDDCXQRQEONTGB-STQMWFEESA-N 291.826 3.744 30 20 CHED C#CCCCNC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 186936588 ODPVICNBBAHYQB-KRWDZBQOSA-N 284.403 3.510 30 20 CHED N#Cc1ccc(F)c(CNc2ccc3ccc(F)cc3n2)c1 78474761 IISKZZYWWYZIBF-UHFFFAOYSA-N 295.292 3.997 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCC[C@@H]2CC)CC1 181746601 QWWSITGXPCDCKF-RDJZCZTQSA-N 264.457 3.585 30 20 CHED COc1ccc(C(=O)/C=C/c2cnc3c(C)cccn23)cc1 125220988 LUGMSGGRDHLEDW-JXMROGBWSA-N 292.338 3.547 30 20 CHED CN1CCC[C@H]1CCSc1ccc(C#N)cc1Cl 126779208 UWTZRKDUJCYVIC-LBPRGKRZSA-N 280.824 3.788 30 20 CHED CC(C)Oc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1C#N 185894007 DFVHHIJPHANVIB-DZGCQCFKSA-N 283.375 3.840 30 20 CHED C=CCSCCN[C@H](C)c1ccc(Cl)s1 129337844 BYGWTLIOJSFPBJ-SECBINFHSA-N 261.843 3.971 30 20 CHED C=CC[C@H](CC)NC(=O)CSc1ccc(OCC)cc1 410124911 VWSDRLFWWJHJCC-ZDUSSCGKSA-N 293.432 3.648 30 20 CHED CN(Cc1ccc(C#N)cc1Cl)c1cccc(O)c1 527135379 GDPMIQFJCXCYNQ-UHFFFAOYSA-N 272.735 3.554 30 20 CHED C[C@@H]1CCCN(Cc2ccc(Br)cc2C#N)C1 336713284 OLRBMPFUMOYFAE-LLVKDONJSA-N 293.208 3.553 30 20 CHED C[C@H](NC[C@H](C)N(C)c1ccccc1)c1ccc(C#N)cc1 181503424 LVUMAUJVBPKFGW-HOTGVXAUSA-N 293.414 3.734 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)ccc1OC 120989378 MRVREXSJCMPGME-UHFFFAOYSA-N 259.349 3.711 30 20 CHED C=C(C)CN(CC)C(=O)CCCOc1ccc(F)cc1F 121489136 ZBROTFUXPQZUGO-UHFFFAOYSA-N 297.345 3.548 30 20 CHED C=C(C)CCc1noc(-c2ccc(OC3CCCC3)nc2)n1 508669880 FCMMENVWDFUUFM-UHFFFAOYSA-N 299.374 3.962 30 20 CHED CC(C)c1ccccc1NC(=O)c1ccc(C#N)c(O)c1 188253971 DTMPHYSUHISIDP-UHFFFAOYSA-N 280.327 3.640 30 20 CHED Cc1ccc(CCN[C@H](C)c2ccc(C#N)cc2)cc1 180130013 FOUWQLXWCQLBNW-OAHLLOKOSA-N 264.372 3.760 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccccc1F 181386594 PESTTYLMQAUOLZ-CYBMUJFWSA-N 278.371 3.712 30 20 CHED C=CCC[C@H](C)NC[C@@H](N)c1ccc(C(C)C)cc1 414842067 IKXQBZWFVMKTCU-WMLDXEAASA-N 260.425 3.754 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)cc2C#N)c(F)cc1F 134952456 BWXBRMQYBBOCKV-UHFFFAOYSA-N 290.244 3.536 30 20 CHED N#Cc1ccc(NCc2ncccc2C(F)(F)F)cc1 132849301 YNIASKKVFAAPQD-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CC(C)C[C@@H]1CCCCCN1CCCSCC#N 74991371 QYLQYRFNQNSQBA-HNNXBMFYSA-N 268.470 3.924 30 20 CHED N#CCN(Cc1cc(Cl)cc(Br)c1)C1CC1 459330634 SZJCELRTLXTZNG-UHFFFAOYSA-N 299.599 3.590 30 20 CHED C=C(C)COCCN[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 180946674 SFHXZMSJALMKGQ-HNNXBMFYSA-N 298.430 3.516 30 20 CHED CC(C)c1ccc([C@@H](C)OC(=O)CSCC#N)cc1 183243526 FWJDWRVLGRGFRJ-GFCCVEGCSA-N 277.389 3.671 30 20 CHED N#C[C@@H](C(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 46440582 SUWODYCRZCLVOS-LBPRGKRZSA-N 295.729 3.706 30 20 CHED C[C@H](CCC#N)N1CCn2c(cc3ccc(Cl)cc32)C1 411651779 WGDQVUUQXMBQFB-GFCCVEGCSA-N 287.794 3.803 30 20 CHED OC1=N[C@@H](C(O)=Nc2ccccc2OCC2CC2)CCC1 328805072 NBVLWSBCSJLQIT-CYBMUJFWSA-N 288.347 3.572 30 20 CHED Cc1cc(CNCCCOCc2ccccc2)ccc1C#N 1116787089 YQCFICLJPOHLPE-UHFFFAOYSA-N 294.398 3.563 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2sccc2c1 410116551 CFHPBIVOBFRTEO-CYBMUJFWSA-N 259.374 3.986 30 20 CHED Cc1cc(C)cc(C(=O)N(CCC#N)CC(C)(C)C)c1 264256854 LOSLOLCWTHENKN-UHFFFAOYSA-N 272.392 3.705 30 20 CHED C#CCSCCN[C@@H]1CC[C@H](C)c2ccccc21 222114012 SLFPFXDZTXTLKC-XJKSGUPXSA-N 259.418 3.581 30 20 CHED COC(=O)c1ccc(CSc2ccc(C#N)cc2)cc1 48511970 OWKORXXPDTUHPW-UHFFFAOYSA-N 283.352 3.637 30 20 CHED CCCN(Cc1ccccc1C(C)(C)C#N)CC(F)F 135163577 FUWIIYNWJHPFEB-UHFFFAOYSA-N 280.362 3.965 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccncc2CC)no1 424350831 UYRONGFAAAUZRA-UHFFFAOYSA-N 257.337 3.548 30 20 CHED N#Cc1ccccc1COc1cccc2c1CCCC2=O 88152576 YNAWBQDTPAXTQL-UHFFFAOYSA-N 277.323 3.656 30 20 CHED N#Cc1ccc(Cl)cc1NCC1CCSCC1 134826334 XSIKIMQAJPVFGL-UHFFFAOYSA-N 266.797 3.767 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)C1CCCC1 615925364 LHLJUESYYJBOCC-CYBMUJFWSA-N 264.413 3.744 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1cc(C)ccc1OC 424548488 WBTFEQSFBQFQQG-ZDUSSCGKSA-N 275.392 3.783 30 20 CHED CC[C@@H](/N=C(/O)c1coc(C2CCCC2)n1)c1ncc[nH]1 328718657 FYEXCDLFVVSMCI-LLVKDONJSA-N 288.351 3.511 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC1CCCC1 195599714 IZIAEAZANSSXEZ-UHFFFAOYSA-N 256.393 3.960 30 20 CHED C=CCSCCNC(=O)Nc1ccc(OC(C)C)cc1 194605058 PCOCSYHTIQDWTM-UHFFFAOYSA-N 294.420 3.515 30 20 CHED N#CCOc1ccc(CNCc2cc3ccccc3o2)cc1 192975890 RTNWMBWUGJXNHS-UHFFFAOYSA-N 292.338 3.625 30 20 CHED CC(=O)c1cc(F)ccc1OCc1cccc(C#N)c1F 223534205 CDKJWVFMIVZYHY-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C[C@@H](CNCc1ccc(C#N)s1)Cc1ccccc1 421347113 BFSOSWUTIRRNQO-CYBMUJFWSA-N 270.401 3.588 30 20 CHED C[C@H]1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 331074033 KNXMPJFGMOCWQR-UONOGXRCSA-N 284.403 3.654 30 20 CHED CC(C)(C)CC(C)(C)/N=C(/O)c1cc(F)cc2nn[nH]c12 331201495 QGOFFLXNLFGMCH-UHFFFAOYSA-N 292.358 3.616 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc(C(C)C)cc1 330755030 FSMZCEKNMZXGGK-QGZVFWFLSA-N 272.392 3.868 30 20 CHED Cc1cccc2c1CN(Cc1cc(C#N)ccc1F)CC2 429588568 IFDVLHZYNUHMDC-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(N(C)CC)cc1 90399146 OAKPJAJKEZFGQK-HNNXBMFYSA-N 258.409 3.597 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc([C@H](C)N)cc1 423199751 CMEUKGQRRNJGAH-AWEZNQCLSA-N 274.408 3.525 30 20 CHED CC#CCN(C)Cc1csc(-c2ccc(Cl)cc2)n1 519713572 SMBNOHWGCVLWEV-UHFFFAOYSA-N 290.819 3.919 30 20 CHED C[C@H](CSCCOc1ccccc1C#N)C(F)(F)F 439033367 KVSNLCHYCQVRGV-SNVBAGLBSA-N 289.322 3.869 30 20 CHED C=CCN(CCC#N)Cc1cc(C(F)(F)F)ccc1F 430094256 JFHQOKJQVPIFJI-UHFFFAOYSA-N 286.272 3.746 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2ccc[nH]2)cc1 436058713 LOXLVCHYOKKEJC-UHFFFAOYSA-N 291.310 3.707 30 20 CHED N#Cc1nn(C[C@@H]2CCc3ccccc3C2)c2ccccc12 432487006 AFLFUCCUZMHMRD-CQSZACIVSA-N 287.366 3.713 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 524103110 NDYAPYVHAZTLFN-CRAIPNDOSA-N 298.430 3.918 30 20 CHED C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)Oc1cccc(Cl)c1 248720215 CFCGZYJLWJMPCR-UMVBOHGHSA-N 292.810 3.779 30 20 CHED C=CCC[C@@H](NC(=O)c1c(CC)noc1C)c1ccccc1 435303228 VTEHYEZPZPLEFG-MRXNPFEDSA-N 298.386 3.983 30 20 CHED Cc1cccc(N(C)Cc2cc(C#N)cs2)c1C 438269543 IXWCHAJBLLEUJB-UHFFFAOYSA-N 256.374 3.873 30 20 CHED COc1ncc([C@H](C)NCC(C)(C)CCC#N)cc1Cl 348221900 WJBQVBFLMZLBAZ-NSHDSACASA-N 295.814 3.724 30 20 CHED C=CC[C@@H](C)NC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 604900857 SINLIYHSOFJPCU-IOASZLSFSA-N 264.413 3.561 30 20 CHED CC[C@H](CC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)C 609162801 UEGWZMSZRDKZAT-DZGCQCFKSA-N 272.392 3.808 30 20 CHED CC(C)[C@@H]1N(Cc2ccc(C#N)cc2F)CC12CCC2 430093673 GNTPDOIWXGLVRG-INIZCTEOSA-N 272.367 3.708 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H](CC(F)(F)F)C1 602697711 LIVBTHALZGCZCU-NEPJUHHUSA-N 262.319 3.591 30 20 CHED Cc1ccc(C)c(CON=Cc2ccc(F)cc2)c1 251021736 UIXYAHJFZUZTCJ-UHFFFAOYSA-N 257.308 3.993 30 20 CHED CCC(=O)N1CCSC1=Nc1cccc(Cl)c1C 255057667 SILPQAFETPEXKR-UHFFFAOYSA-N 282.796 3.621 30 20 CHED Cc1nsc(NCCc2ccc3ccccc3n2)c1C#N 341927469 CPCYLMPKGVWNOI-UHFFFAOYSA-N 294.383 3.526 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](C)CCC#N 602502618 LNEAPSFZCCLNIN-CQSZACIVSA-N 296.418 3.519 30 20 CHED CC(=O)Nc1ccc(C)cc1NCc1cccc(C#N)c1F 342447679 ZAZCIJARUNRAJT-UHFFFAOYSA-N 297.333 3.576 30 20 CHED Cc1ccc(-c2ccc(NC[C@@H]3CCCO3)nc2)cc1C#N 600790327 AAKPVTQACMLLOO-KRWDZBQOSA-N 293.370 3.520 30 20 CHED COc1cccc(S[C@H](C#N)Cc2ccccc2)c1 603454264 FYRNMCQVJANGCE-INIZCTEOSA-N 269.369 3.922 30 20 CHED Cc1cc(C2CCNCC2)ccc1-c1ccc(O)c(C#N)c1 600779641 HXHNSGYFKCGGCV-UHFFFAOYSA-N 292.382 3.706 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc2cnccc12 343237655 LMMDWYVYPCRPKP-CYBMUJFWSA-N 268.360 3.709 30 20 CHED N#CCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 343899943 URCZBEUVOSQTKY-MRXNPFEDSA-N 296.395 3.550 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc(C)c2O)CCCC1(C)C 443866709 IBTJGBATKIWOBC-HNNXBMFYSA-N 287.403 3.908 30 20 CHED C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(C#N)c1 601284672 IYQWIIAQIDHYCW-ZMYBRWDISA-N 292.382 3.739 30 20 CHED C=CC(C)(C)C(=O)NCCCc1ccc(Cl)cc1 448848998 RNWXXCULDPBYID-UHFFFAOYSA-N 265.784 3.601 30 20 CHED N#Cc1cc(N2CCCC3(CCCC3)C2)ccc1[N+](=O)[O-] 445669860 IORWTLXXWXAFCE-UHFFFAOYSA-N 285.347 3.627 30 20 CHED C[C@@H](CCC#N)CN(C)[C@@H](C)c1ccc(F)c(F)c1 602437479 YSVYYIIKOYOVSM-RYUDHWBXSA-N 266.335 3.897 30 20 CHED CC1(C)CN(Cc2cccc(OCCCC#N)c2)[C@@H]1C1CC1 356272553 DHNPVBGWDGBFOP-GOSISDBHSA-N 298.430 3.990 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@H](C#N)CC(C)C)cc1 609989010 VEGWWTWRWKOJTF-PBHICJAKSA-N 286.419 3.797 30 20 CHED C=CCCC1(C(=O)Nc2cccc(C(=O)CC)c2)CC1 356522508 VERIJPSGXMSAEV-UHFFFAOYSA-N 271.360 3.964 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1ccc2c(c1)OCCO2 603452829 MXDGASCKKOOKMG-HNNXBMFYSA-N 297.379 3.685 30 20 CHED C[C@@H](CCC#N)CNC[C@H]1CCCCC(F)(F)C1 602674746 YPARQTIUTRWQIN-STQMWFEESA-N 258.356 3.731 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccnc(-c2ccccc2)c1 352948977 VRRYHKVNQVYLPJ-QGZVFWFLSA-N 279.343 3.627 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc(Cl)c(C#N)n1 609675047 PWDVRBUKLZUNPU-OCCSQVGLSA-N 297.789 3.989 30 20 CHED CO[C@H]1CCC[C@@H]1CNc1cc(C#N)ccc1C(F)(F)F 539602894 UBNKURTUYHGMDX-RISCZKNCSA-N 298.308 3.804 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cccc3cnccc23)no1 356661130 CEEFKRZGHVQONY-GFCCVEGCSA-N 295.342 3.939 30 20 CHED C=CCOCCCSc1nc(C)c(C)n1CC(C)C 356042859 RXLQUFHQBHFLCC-UHFFFAOYSA-N 282.453 3.841 30 20 CHED C[C@@H]1CCC[C@@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 269625895 RWOXSDPIAWQHKO-VNQPRFMTSA-N 285.391 3.519 30 20 CHED C=C(CC)CSCC(=O)Nc1cc(Cl)ccc1C#N 358638778 SNBRBUFZEWCWGQ-UHFFFAOYSA-N 294.807 3.850 30 20 CHED Cc1ccncc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 618802372 JFEDBKBNUKTKGX-ACJLOTCBSA-N 277.371 3.600 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCC2(CCCCCC2)C1 449981484 NYQAZGHYBDYTKR-UHFFFAOYSA-N 299.418 3.771 30 20 CHED N#Cc1ccc(C(=O)N2C3CCCC2CCC3)cc1Cl 614494301 YDRISSCFEJJDME-UHFFFAOYSA-N 288.778 3.759 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1nnn(-c2ccccc2)c1C 539510245 SIHNJWSNJUHKNT-CABCVRRESA-N 298.434 3.971 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCCO[C@H]2C(C)(C)C)CC1 449151246 WUCUAHGPKLJWNF-JBCIKUTRSA-N 292.467 3.890 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2csc(CC(C)C)n2)C1 617785172 FJWJGCHDEWPTMT-ZDUSSCGKSA-N 292.448 3.770 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)CNc1ccccc1 539468774 YGRNIAVYWCUFEC-GJZGRUSLSA-N 289.423 3.531 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc2ccccc2n1 264136958 ZQSORIJXFUMYOL-UHFFFAOYSA-N 295.386 3.637 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/Cc2cc(C)ccn2)cc1 263185774 UVMLENPCMWIUNY-CQSZACIVSA-N 296.418 3.830 30 20 CHED COc1ccc(C#N)cc1NCc1cccc2cccnc12 354842803 BFCMYCVTXLMZEK-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC/C=C\c1ccc(Cl)cc1 449548351 MPQWTTHAGISQFK-OZXVRYSVSA-N 277.795 3.676 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCSC1 448247629 LIUCAYHJMKZDEO-HNNXBMFYSA-N 296.480 3.517 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 619438119 PTEVOXVPGUEOSK-LXZKKBNFSA-N 284.403 3.952 30 20 CHED CN(Cc1ccc2ccccc2c1)C(=O)NCCCCC#N 264112704 JLQSTVNIZQVZEM-UHFFFAOYSA-N 295.386 3.675 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(Cl)cc(C#N)cc1Cl 619617865 SAZPDQKUVRIVKX-SNVBAGLBSA-N 297.185 3.950 30 20 CHED C=CCC1(NC(=O)CCNc2ccccc2C)CCCC1 619115030 RRCGWHKSDLFONL-UHFFFAOYSA-N 286.419 3.802 30 20 CHED C[C@]1(C#N)CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 612109069 XRTSHXVLRRRPBU-CQSZACIVSA-N 293.292 3.707 30 20 CHED COc1ccc(CN(CC#N)C2CCCC2)c(Cl)c1 538720353 VAHOOOURINYEEQ-UHFFFAOYSA-N 278.783 3.617 30 20 CHED C=C(C)CN(CC)C(=O)c1c(C)nc2ccccc2c1C 537168240 DBSOHMXNSYQULN-UHFFFAOYSA-N 282.387 3.890 30 20 CHED C=CCC1(CNC(=O)c2nnc(C(C)C)s2)CCCC1 454316864 HSCMCFTXHCGWOL-UHFFFAOYSA-N 293.436 3.528 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 456063716 JMEFMALNMHCXBM-ZWNOBZJWSA-N 298.308 3.774 30 20 CHED C=CCCC(=O)Nc1ccccc1NCC(F)(F)F 263848084 UKTMBZKDTSZQNS-UHFFFAOYSA-N 272.270 3.566 30 20 CHED C=C(C)CCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 459671210 WBQSOKSQOOIEMA-ZDUSSCGKSA-N 291.357 3.634 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 617788247 DUFFTFMIACZPBS-LLVKDONJSA-N 281.758 3.907 30 20 CHED C=CCCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 456715001 XHKSTDWSJPYFSF-OAHLLOKOSA-N 283.375 3.583 30 20 CHED C=CC(C)(C)c1nc([C@@H]2CCc3ccccc32)no1 453120864 LTGBWIHIWCSNAG-CYBMUJFWSA-N 254.333 3.611 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H](C)CC(C)C)C1 617783779 GVNBFGMWOZVDGZ-HUUCEWRRSA-N 251.414 3.873 30 20 CHED C=CCC1(NC(=O)c2cccc3ccncc23)CCCC1 619111787 HYPAZHBSGSBTLB-UHFFFAOYSA-N 280.371 3.854 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc2cccnc2c1)OCC 279511440 QKCBOQJJWKBGPI-INIZCTEOSA-N 285.343 3.512 30 20 CHED CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)CS1 277320979 SZKOXNHEQVWKAH-RCBQFDQVSA-N 274.433 3.739 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C)c(-c2ncco2)c1 454976445 VRXBQQICQPEDQT-UHFFFAOYSA-N 285.347 3.738 30 20 CHED C=CCC1(NC(=O)c2c3ccccc3nn2C)CCCCC1 456375634 YJXROAKPRIEWLH-UHFFFAOYSA-N 297.402 3.582 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCc1ccccc1C 452335061 XMIHFMVIWJKKNO-UHFFFAOYSA-N 259.393 3.598 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(COC(C)C)cc1 454575104 QARVKIDSIGSEDH-UHFFFAOYSA-N 276.380 3.699 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 362275838 GXCDZDFJDHROTA-INIZCTEOSA-N 291.341 3.822 30 20 CHED C[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1c[nH]c2ccccc12 278948604 GXSFTTJTNJJHNU-BLLLJJGKSA-N 297.402 3.716 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@H]1CCC[C@H]1F 455379577 HRJQMGUCGMRPCR-HIFRSBDPSA-N 276.355 3.817 30 20 CHED C#CCCCCC(=O)N1Cc2ccccc2C(C)(C)C1 271398423 YKYFRGILZZMILX-UHFFFAOYSA-N 269.388 3.500 30 20 CHED CC[C@](C)(CN[C@H]1CCCCc2cc(C#N)ccc21)OC 453303676 NNSZHZLDQNCIDR-ZWKOTPCHSA-N 286.419 3.730 30 20 CHED C=C(CC)CNC(=O)Nc1cc(F)c(OC(C)C)c(F)c1 455122187 BBDJICLSWGXBIM-UHFFFAOYSA-N 298.333 3.840 30 20 CHED CC(C)(CC#N)CNCc1cc(Cl)cc2cccnc12 459727182 FWJPZNVSJVROLH-UHFFFAOYSA-N 287.794 3.918 30 20 CHED CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC1(C#N)CCC1 450698050 IZXRFDMMIHIDBJ-IUODEOHRSA-N 292.810 3.699 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H](C)c2nc(C)cs2)c1 273371168 XNVULZCMIMXKET-JTQLQIEISA-N 299.399 3.741 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(F)c(N2CCOC2=O)c1 279654691 FLQFEAMRUQUUNI-NEPJUHHUSA-N 292.354 3.795 30 20 CHED CCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C1(CC)CC 540611757 DIGUZVVHWBAWPR-LSDHHAIUSA-N 292.448 3.693 30 20 CHED C#CC[C@@H](NC(=O)N(CCC)CCC)c1ccccc1 270509176 ZVTLAFRBMCKPIQ-MRXNPFEDSA-N 272.392 3.583 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1cccc(CC#N)c1 455917342 JSTLBQYCIPDVLB-UHFFFAOYSA-N 298.390 3.546 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(F)cc1Cl 466366455 HTTYUVKGSGBRDL-SNVBAGLBSA-N 270.735 3.955 30 20 CHED C[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1cccc(C#N)c1 540607693 URHCXLCEGIINLB-MEDUHNTESA-N 298.773 3.996 30 20 CHED C=C(C)Cn1c(N2CC[C@@H]3CCC[C@@H]32)nnc1C(C)(C)C 460560210 UFGPGIKMKQQIAP-KBPBESRZSA-N 288.439 3.531 30 20 CHED C=CCSCCNC(=O)c1ccc2c3c(cccc13)CC2 540959676 PROXELJUUJZETB-UHFFFAOYSA-N 297.423 3.587 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@@H](C)C(C)C 469938543 KUQPLUDWOUCCAQ-GFCCVEGCSA-N 273.380 3.611 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(C#N)cs1 283733864 ZRQWWNCZUAVEJM-NSHDSACASA-N 276.405 3.661 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 468024866 CVSCKZUPHNUUHR-IJEWVQPXSA-N 251.414 3.920 30 20 CHED CC(C)(CCC#N)CN[C@H]1C[C@H](c2ccccc2)C1 280549929 DSDQKIKGKHFMRV-WKILWMFISA-N 256.393 3.852 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(N2CCCCCC2)cc1 283578490 KMIRKEGGXAWLMM-UHFFFAOYSA-N 299.418 3.554 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCCC[C@H]1CC 460556707 HMASECDUIDZZEY-OAHLLOKOSA-N 288.439 3.891 30 20 CHED C[C@H](CNC1(c2cccc(C#N)c2)CC1)c1ccccc1 551712508 GNQXXYLFOXRZRJ-OAHLLOKOSA-N 276.383 3.941 30 20 CHED Clc1cccc(C#CCN2CCCC[C@@H]2c2cc[nH]n2)c1 285298697 HCGWNTNJVKDQQU-QGZVFWFLSA-N 299.805 3.642 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 550908385 FJOGDQALQNQBIU-ZIAGYGMSSA-N 281.440 3.546 30 20 CHED C=CCOCCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 286283392 IFUGVOJSMPDGMS-NVXWUHKLSA-N 287.403 3.579 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 286544641 QZFUPVUJXBFLDA-HZMBPMFUSA-N 298.308 3.822 30 20 CHED N#Cc1cc(N2CCC[C@@H]2c2ccccc2Cl)ccn1 553276946 UNZHJMNDMFAAPC-MRXNPFEDSA-N 283.762 3.948 30 20 CHED CC(C)[C@@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)cc1 553247267 QHGQLTFUOBHVCB-MRXNPFEDSA-N 285.778 3.838 30 20 CHED N#CC1(CCCNc2cc(F)cc(Cl)c2)CCOCC1 281256750 QNURDUXCINFPHM-UHFFFAOYSA-N 296.773 3.992 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(N2CCC(C)CC2)c1 286517544 QNBNKSBXBSUSJY-GOSISDBHSA-N 299.418 3.801 30 20 CHED C=CCSCCN[C@H](CCCOC)c1ccc(F)cc1 282222562 HZCRFRUAEGRQKO-MRXNPFEDSA-N 297.439 3.802 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2cn(C(C)C)nn2)cc1 287243588 OZJCGBNCPHKQDH-JXMROGBWSA-N 299.374 3.544 30 20 CHED CC#CCN(C)C(=O)[C@H](c1cccc(Cl)c1)C(C)C 554688292 GXYMMQRTUIIIEN-HNNXBMFYSA-N 277.795 3.561 30 20 CHED C=CCN(CCCCCF)Cc1ccc(OC)cc1 556494552 DPEJOGLPSFDRFS-UHFFFAOYSA-N 265.372 3.823 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2cc(C#N)ccn2)CC1 557695296 JRJLWPXACHJNPF-LJQANCHMSA-N 291.398 3.901 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1c(C)c2ccccc2n1C 471226195 CFZKGCYDPYSVFT-SFHVURJKSA-N 284.403 3.705 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(-c2ncc[nH]2)ccc1C 295098456 GBUKVDJQZMBQRG-UHFFFAOYSA-N 269.348 3.536 30 20 CHED C=C(CC)CSc1ccc(C(C)=O)cc1OC 552962349 LMJOWFNYLRTRJU-UHFFFAOYSA-N 250.363 3.956 30 20 CHED N#CCCCCNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 293105766 PFEHJVUSVKTODA-MRXNPFEDSA-N 297.402 3.617 30 20 CHED C=CC(C)(C)C(=O)N1Cc2ccccc2C(C)(C)C1 295630898 XJUYFTWQYAZUIF-UHFFFAOYSA-N 257.377 3.519 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 470346814 SWNLDDPEPRGZHN-QGZVFWFLSA-N 294.354 3.757 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(C1CCC1)C1CCC1 558974706 UJQKNIQXVADTJT-NVXWUHKLSA-N 263.425 3.526 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(C(C)C)cc1 806102159 CZFOARWKGUXLIO-CQSZACIVSA-N 258.365 3.733 30 20 CHED C=CCCCCCCCCNC(=O)N[C@@H]1CCO[C@H](C)C1 805252301 ZUBIIMZFGYYNRK-HZPDHXFCSA-N 296.455 3.770 30 20 CHED Cc1ccc(F)c(NC(=O)CCCC#N)c1Br 292494933 YXRZYODLJZAXHC-UHFFFAOYSA-N 299.143 3.529 30 20 CHED C=CCOCCCOc1ccc(F)cc1Br 475949656 VGNCPXGHRCSPLN-UHFFFAOYSA-N 289.144 3.560 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)[C@@H](C#N)CCc1ccccc1 563761937 DVSSCRZRPOOKNT-IAGOWNOFSA-N 298.430 3.701 30 20 CHED CC(C)Oc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 299731806 XKEPMBFOTBBREW-KBPBESRZSA-N 260.381 3.817 30 20 CHED C=CCC(F)(F)c1nc(Cc2csc(C(C)C)n2)no1 293216338 RMEFWUIDTKTVIJ-UHFFFAOYSA-N 299.346 3.908 30 20 CHED CC1(C)CCC(=CC(=O)NCC(C)(C)CCC#N)CC1 807722873 PZOCZFWGVOECCQ-UHFFFAOYSA-N 276.424 3.959 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2csc(CC)n2)cc1 290214820 FDARLCSEIMSRMK-LBPRGKRZSA-N 270.401 3.538 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1cccc(C2CC2)c1 295469970 HVERXJWANVJXEL-LBPRGKRZSA-N 270.376 3.681 30 20 CHED CC[C@](C)(C#N)C(=O)OCC1CCC(C(F)(F)F)CC1 803782026 IFHWSKUOQNYBIK-GCZXYKMCSA-N 291.313 3.838 30 20 CHED Cc1nc(N[C@@H](COCC(C)C)c2ccco2)ccc1C#N 291556124 BOVDJUUJUKHINK-HNNXBMFYSA-N 299.374 3.681 30 20 CHED Cc1csc(NC(=O)C2(Cc3ccccc3)CC2)c1C#N 809002709 FMCFADHDRZHRBV-UHFFFAOYSA-N 296.395 3.890 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccsc2C)cc1 294587567 BXOQGGPYEJJJLH-UHFFFAOYSA-N 284.384 3.925 30 20 CHED C=C(C)CN1CCC(NC(C2CCC2)C2CCC2)CC1 569241663 DXKZOSHASAXAHZ-UHFFFAOYSA-N 276.468 3.585 30 20 CHED Cc1nc(-c2ccc(NC(=O)CCCC#N)cc2)cs1 291987447 VNEFKCGVGVTOCJ-UHFFFAOYSA-N 285.372 3.751 30 20 CHED CC#CC(=O)Nc1cccc(Sc2ccccc2)c1 801154148 KRDZVENBJGTRPR-UHFFFAOYSA-N 267.353 3.800 30 20 CHED C=C(CC)CS[C@H](Cc1ccc(C)cc1)C(=O)OC 477070034 ROAFCGSFNIFCHS-OAHLLOKOSA-N 278.417 3.779 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1S[C@@H]1CCOC1 298449863 SIKOKZSREYGMJQ-CQSZACIVSA-N 282.368 3.501 30 20 CHED Cc1cc(NCc2ccc([C@H]3C[C@@H]3C)o2)cc(C#N)n1 561127235 KSBHVMKQSPWMAS-BONVTDFDSA-N 267.332 3.590 30 20 CHED C[C@@](C#N)(NC(=O)CC1CCCC1)C1CCCCC1 566993186 ONMWTRAHAYDZCO-INIZCTEOSA-N 262.397 3.545 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccc2ccccc2c1 488865338 DWGLIENMXOCYCE-SFHVURJKSA-N 279.383 3.949 30 20 CHED C=C(C)CCNC[C@@H](O)c1ccc(Cl)cc1Cl 819345923 AMNCBQYRKLWZGW-CYBMUJFWSA-N 274.191 3.583 30 20 CHED CCOc1ccc(NN=Cc2ccc(OC)c(F)c2)cc1 814984183 WNFINNZWYLGXJL-UHFFFAOYSA-N 288.322 3.679 30 20 CHED CC(=O)c1cc(C#N)ccc1NCC[C@@H]1CC1(Cl)Cl 819073989 JZYDPBKXRCSPSV-LLVKDONJSA-N 297.185 3.757 30 20 CHED Cc1cc(-c2ccccc2C(=O)O)cc(C)c1C#N 566292689 WOWBTLPBYMCJOT-UHFFFAOYSA-N 251.285 3.540 30 20 CHED N#CCC[C@H](C#N)CN[C@@H]1CCCCC12CCCC2 564868666 HSIHFWGQQIIEJU-HUUCEWRRSA-N 259.397 3.523 30 20 CHED C=CCCCCN[C@H](c1nc(C2CC2)no1)C(C)C 562703195 MTSPIXHRPIMIHP-ZDUSSCGKSA-N 263.385 3.590 30 20 CHED CC[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)C1CCC(C)CC1 484914974 ZMXIJNNLOMDVMT-GROLMSMHSA-N 276.424 3.647 30 20 CHED CC[C@H](C=NN1CCc2ccccc2C1=O)c1ccccc1 814892701 KLIGTTLSTWTOMQ-OAHLLOKOSA-N 292.382 3.865 30 20 CHED CCC#C[C@@H](C)N(Cc1ccccc1Cl)OC 810138712 IHOULHVEFGTHKJ-GFCCVEGCSA-N 251.757 3.505 30 20 CHED C#Cc1ccccc1CC(=O)O[C@H](C)c1ccc(OC)cc1 810553048 ACZZQBAHQPZIHY-CQSZACIVSA-N 294.350 3.523 30 20 CHED C=CCCCS(=O)(=O)N(C)[C@@H](C)c1cc(C)ccc1C 489211127 VWBMJACFLBOHEJ-HNNXBMFYSA-N 295.448 3.592 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCCC(C)(C)CC1 571808962 AASCXENAOQMGQX-UHFFFAOYSA-N 276.428 3.604 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2ccc(C#N)c(F)c2)C1 483939491 JXILQQLZRMSJSP-CHWSQXEVSA-N 260.356 3.708 30 20 CHED CC(=NOCCC1CC1)[C@@H]1CCN(Cc2ccccc2)C1 814246005 RKOFWTLSLQAPJC-GOSISDBHSA-N 286.419 3.701 30 20 CHED C=C(C)COc1cccc(NC(=O)C2(CC)CC2)c1 487299339 OENZLZOBMNCMAR-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CCCCn1nc(C)c(C=NOC/C=C/Cl)c1Cl 811670507 UHNOLVIQHFVPJH-SBYUKYJNSA-N 290.194 3.748 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CCCC1CC1 813238773 ISJMKVFCAUJSFD-UHFFFAOYSA-N 257.333 3.606 30 20 CHED CC(=NN=C1CC[C@H](c2ccccc2)C1)c1cnccn1 814860081 BZPZTOOHWJCKGO-HNNXBMFYSA-N 278.359 3.609 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(C2=CCCC2)cc1 811259531 ZFMLQGSRXNGWHI-UHFFFAOYSA-N 284.355 3.946 30 20 CHED Cc1nc(C(C)C)ccc1COC(=O)c1cccc(C#N)c1 815171865 JLCXKGDIXYPMSO-UHFFFAOYSA-N 294.354 3.742 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C1CCCCC1)C(F)(F)F 482290926 FWDNJNIWUOCWNM-CMPLNLGQSA-N 292.345 3.761 30 20 CHED C=C(C)CN(CC)C(=O)CSC[C@@H](C)c1ccccc1 481961857 NKMKPVCOPDCVEP-OAHLLOKOSA-N 291.460 3.948 30 20 CHED CC(=NOCC1CC1)c1ccc(N2CCCCC2)cc1 814244540 ZBOWYAHIHRFKJU-UHFFFAOYSA-N 272.392 3.828 30 20 CHED CCCCCCCCOC(=O)c1cc(N)nc(Cl)c1 728628903 DMGWIQCFIPHYSU-UHFFFAOYSA-N 284.787 3.835 30 20 CHED COc1ccc(/C=C2/Oc3c(Cl)cccc3C2=O)cc1 729151090 OBMMXQNWJDAUST-NTEUORMPSA-N 286.714 3.965 30 20 CHED C=C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 729256800 XVHWLHYANAVWMF-QPJJXVBHSA-N 261.752 3.532 30 20 CHED C=CCOc1ccc(C=NNc2ccccn2)cc1Cl 727253295 DHSZUZFAABPRCD-UHFFFAOYSA-N 287.750 3.746 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C(C)C)nc1C 497938454 QOZQNAOKDXGOMC-CYBMUJFWSA-N 274.408 3.988 30 20 CHED C=CCCNc1ncnc2c1c(C)c(C)n2Cc1ccco1 656472605 LLOLAVFVKBNLTJ-UHFFFAOYSA-N 296.374 3.677 30 20 CHED C#Cc1cccc(NC(=S)NN=C(C)C2CCCCC2)c1 727259859 NOYANQYXYQIPDG-UHFFFAOYSA-N 299.443 3.911 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)COC2 822525277 DBQMZDMXPKTRLF-CQSZACIVSA-N 292.382 3.781 30 20 CHED C=C(C)CNC(=O)CCCCCc1ccc(F)cc1 490037446 SHTDBCOASILMET-UHFFFAOYSA-N 263.356 3.621 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2COCc3ccccc32)c1C#N 572500417 NDZLIFVNIAJNAL-OAHLLOKOSA-N 299.761 3.599 30 20 CHED CC(C)(C(=O)OCc1ccccc1C#N)c1ccc(F)cc1 728648113 LLKIUXAGAVRICD-UHFFFAOYSA-N 297.329 3.718 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCC(C)(CC(C)C)CC1 494733600 BNOLENBRRCTGNN-SFHVURJKSA-N 295.467 3.890 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@H](C2CC2)C1 588855066 PKHCKSMJDVQXLT-ZDUSSCGKSA-N 260.768 3.838 30 20 CHED C#Cc1cccc(NC(=S)N2C[C@@H](C)c3ccccc32)c1 726461771 FPJIEEFOMDDTDX-CYBMUJFWSA-N 292.407 3.988 30 20 CHED C#CC[C@@H](NCC[C@H]1CC1(Cl)Cl)c1ccccc1 822818240 OHHKLUMHXOLGJA-UONOGXRCSA-N 282.214 3.925 30 20 CHED COc1cccc([C@@H](C)c2noc(CCCCCC#N)n2)c1 589112656 QRRHVQLIUVCPJE-CYBMUJFWSA-N 299.374 3.856 30 20 CHED C[C@H](C#N)OCCN(C1CCCC1)[C@H](C)c1ccccc1 823110483 VYJQAFXLDBKVNJ-HZPDHXFCSA-N 286.419 3.921 30 20 CHED N#Cc1cc[nH]c(=N[C@H](c2ccccc2)C2CCC2)c1Cl 587872993 RNNHYHYMESVWMX-MRXNPFEDSA-N 297.789 3.982 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1c(Cl)cnn1C)C2=O 588535184 SWMQFYRISCXMOO-QVIVLVACSA-N 286.762 3.765 30 20 CHED CC(C)c1ccc(C[C@H](C)NC[C@@H](C#N)CCC#N)cc1 583867073 RAATXCVJQOWUJZ-DOTOQJQBSA-N 283.419 3.774 30 20 CHED COc1ccc(O)c(/C=N/CC(C)(C)c2cccs2)c1 733904633 ZAEPTNHLQCPKHP-LICLKQGHSA-N 289.400 3.859 30 20 CHED C=C(Cl)CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 736240908 UNEMOFUZRZXVAA-HOTGVXAUSA-N 285.774 3.812 30 20 CHED CC(C)(C#N)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 903101360 FXNBOUVUSFCQRA-OAHLLOKOSA-N 287.363 3.502 30 20 CHED C=CCC1(NC[C@H](CC)c2ccccc2)CCOCC1 668552689 ROMBAPLNBRCPSZ-INIZCTEOSA-N 273.420 3.895 30 20 CHED CCCCCCCC[C@H](N)c1nc([C@H]2CCCO2)no1 900012012 PEASJYQGMOZEOC-QWHCGFSZSA-N 281.400 3.672 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N(CCC#N)C(C)C 581772817 BQQACGLQJSQRGQ-OAHLLOKOSA-N 264.413 3.744 30 20 CHED C=CCC1(CNCc2ccc(/C=C\C(=O)O)o2)CCCC1 902267083 DASLXQSIGZVTKC-FPLPWBNLSA-N 289.375 3.604 30 20 CHED N#Cc1ccc(CNC(=O)c2cccc(C3CCC3)c2)s1 581244996 VESHVOWEKAPLMD-UHFFFAOYSA-N 296.395 3.817 30 20 CHED Cc1c(C(=O)N(O)Cc2ccc(F)cc2)oc2ccccc12 900095817 KRBOBSZAXKYMQE-UHFFFAOYSA-N 299.301 3.912 30 20 CHED C=CCC[C@H](NC/C=C/c1c(C)cc(C)cc1C)C(=O)O 901689656 HBGHNCKMSNOAOF-OZSKJFCKSA-N 287.403 3.634 30 20 CHED C=C1CCC(C(=O)Nc2cc(CN(C)C)ccc2C)CC1 900954785 LULPIUXETCLTCI-UHFFFAOYSA-N 286.419 3.742 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)c1C 731157361 WBRSJDGIDYGPRE-KHPPLWFESA-N 294.350 3.827 30 20 CHED CC(C)C[C@@H]1C[C@H]1NCc1ccc(N(C)CCC#N)cc1 839162915 IDCMLZISWSZGJY-SJLPKXTDSA-N 285.435 3.561 30 20 CHED C#CCC[C@H](C)OC(=O)c1cc(C)nn1C(CC)CC 839043320 QNXFDKGMPBNAMA-ZDUSSCGKSA-N 276.380 3.511 30 20 CHED N#Cc1cc(N[C@H]2CC[C@@H](F)C2)ccc1C(F)(F)F 588840881 BHQRGUIWMMWZFE-KOLCDFICSA-N 272.245 3.880 30 20 CHED N#CC1(C(=O)OCc2cnc3ccccc3c2)CCCCC1 730699802 SPPAGOPCOWVNFA-UHFFFAOYSA-N 294.354 3.752 30 20 CHED CSc1cccc(N[C@@H](C(=O)O)c2ccc(C#N)cc2)c1 738213265 AKHCNZILRBNFNN-OAHLLOKOSA-N 298.367 3.518 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 673551580 KRHUXPVFBANETD-MJBXVCDLSA-N 266.429 3.807 30 20 CHED N#CCOc1cccc(/C=C\c2nc3c(s2)CCC3)c1 901551316 DYNINMVRTSOXLX-FPLPWBNLSA-N 282.368 3.705 30 20 CHED CC(=NNc1cc(C)ccc1C)[C@@H]1C[C@H]2CC[C@H]1O2 834928949 FEZLVDDPJHNERM-IJEWVQPXSA-N 258.365 3.659 30 20 CHED CCc1ccc(C(C)=NNc2nccnc2Cl)cc1 733079365 IJIKXAZQLVEQDC-UHFFFAOYSA-N 274.755 3.529 30 20 CHED Cc1ccc(-c2ccc(C(=O)O[C@H](C)C#N)c(F)c2)cc1 730350749 MDFRWCURLUNICE-GFCCVEGCSA-N 283.302 3.870 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 582608938 FNBYLPJSDPTGGY-GRYCIOLGSA-N 277.330 3.826 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCC1CC1 734313992 BXYANQLJPAVHSJ-UHFFFAOYSA-N 260.333 3.519 30 20 CHED C#Cc1cccc(NC(=O)CCCOc2ccccc2F)c1 918322787 USHLPBSDEUUAMH-UHFFFAOYSA-N 297.329 3.605 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(Cc2ccccc2)C1 678921999 KPZCUJWUDGAVTE-HNNXBMFYSA-N 286.419 3.615 30 20 CHED COCCC(=NNc1ccc(C#N)cc1)c1ccc(F)cc1 734746897 XYICBLZOZQDRJD-UHFFFAOYSA-N 297.333 3.550 30 20 CHED CCN(C(=O)c1cc2c(Cl)cccc2s1)[C@H](C)C#N 598353651 LZFNCQOLKLWHIW-SECBINFHSA-N 292.791 3.929 30 20 CHED CCCCN(C(=O)C#CC1CC1)[C@@H](C)c1ccccc1 837374759 HZHCJFWDGZNVLD-HNNXBMFYSA-N 269.388 3.790 30 20 CHED CCCCCCCC(=Nn1cnnc1)c1ccccc1 839382266 SRKAXJPOLIAANB-UHFFFAOYSA-N 270.380 3.891 30 20 CHED C[C@H](Cc1ccccn1)N[C@@H]1CCCc2cc(C#N)ccc21 594516369 WBCCLLJFJQGZMQ-AUUYWEPGSA-N 291.398 3.551 30 20 CHED C=CCONC(=O)Nc1ccc2c(ccn2CC(C)C)c1 836363651 TXRIRRWOMLVIBZ-UHFFFAOYSA-N 287.363 3.536 30 20 CHED CC(F)(F)CCNc1c(Br)cccc1C#N 865841648 YKXLVGUGVNMTKK-UHFFFAOYSA-N 289.123 3.778 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)NCC#Cc1ccccc1 590084211 XGOQELAJQYEEKB-QZTJIDSGSA-N 298.430 3.696 30 20 CHED CC(C)(CCC#N)CN1CC(C)(c2ccccc2)C1 598678598 ZUFCMWQKTDTFQE-UHFFFAOYSA-N 256.393 3.590 30 20 CHED C=C[C@H](C)ONC(=O)Nc1c(C)cc(C)cc1Cl 844487116 CDKRMPDKDANKST-JTQLQIEISA-N 268.744 3.584 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H](C)SC 918397699 LIFLPSZIKQSREK-ZDUSSCGKSA-N 259.459 3.947 30 20 CHED Fc1ccc(CNN=Cc2ccc3ccccc3n2)cc1F 741461539 JQANFIGIEHJRGN-UHFFFAOYSA-N 297.308 3.637 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1coc(C(C)C)n1 844551697 GNGXFCAZMNWSTC-SREVYHEPSA-N 287.363 3.780 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 595438870 ITOQJZKTYWGUFH-NVXWUHKLSA-N 299.418 3.863 30 20 CHED CO[C@@H](C#N)c1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 844226671 IRNGOTBHOKRPSS-SGTLLEGYSA-N 279.339 3.888 30 20 CHED CCCCCC[C@@H](C)C(=O)N(CCC#N)C(C)C 742060918 VRXRKFNWFSVEIB-CQSZACIVSA-N 252.402 3.744 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCCC1CCC1 596710251 ZJZGGBXHJXHMQP-UHFFFAOYSA-N 271.364 3.569 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 590673090 OHSRLIVTHSNGEB-JGGQBBKZSA-N 270.376 3.562 30 20 CHED CC(C)(C)c1ccc(C=NOCc2ccon2)cc1 740872776 UDWZLIAJXVMDLH-UHFFFAOYSA-N 258.321 3.523 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)C1 598881341 FBRIJPNMQURFCL-UKRRQHHQSA-N 282.387 3.880 30 20 CHED C=CCn1c(C)nn(CN(C(CC)CC)C2CC2)c1=S 918179368 OQSSOXBHMAZOPG-UHFFFAOYSA-N 294.468 3.519 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2oc(C)nc2C#N)cc1 741839226 CNGLJSUUNBRBBR-AWEZNQCLSA-N 294.358 3.899 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H](C)c2ccco2)cc1 594028513 SXKMEEVMJHPFKY-CZUORRHYSA-N 296.370 3.669 30 20 CHED COCCN(C)N=C1CCC[C@@H](c2cccc(Cl)c2)C1 841637124 QMVCXAPZVYXSCW-CQSZACIVSA-N 294.826 3.932 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 747418037 XAAHGPCINACXOC-UHFFFAOYSA-N 289.684 3.500 30 20 CHED CCCCCCCOC(=O)c1cnc2ccccc2n1 918493524 AGALSECIMBURPQ-UHFFFAOYSA-N 272.348 3.757 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccc(C)cc1C 840794258 GJLNLHJOFNPFHC-UHFFFAOYSA-N 262.422 3.802 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccco1 595062134 QWTMPQACVKAHLH-GXNBUGAJSA-N 295.448 3.566 30 20 CHED CC(=NNCC(F)F)c1ccc(SCC(F)F)cc1 741763494 PMZMDDLNJBTJRX-UHFFFAOYSA-N 294.317 3.623 30 20 CHED CSc1cc(Cl)ccc1NC(=O)CCCC#N 597896083 JOHJTXSMQQABDD-UHFFFAOYSA-N 268.769 3.694 30 20 CHED CC(C)COC[C@H](N[C@H](C#N)c1ccccc1)c1ccco1 595425093 JAUVJBREABROPV-SJORKVTESA-N 298.386 3.848 30 20 CHED CC[C@H](CC1CCCC1)C(=O)[C@H](C#N)c1cc(C)nc(C)n1 842285005 ORPOSUJKWWEGLQ-HZPDHXFCSA-N 299.418 3.876 30 20 CHED CCc1nc(C#N)cc(S[C@H]2CCc3ccccc3C2)n1 596359046 DREDJVVQCVAQEJ-HNNXBMFYSA-N 295.411 3.560 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 593457902 NWSHGVPJGAUADL-NEPJUHHUSA-N 299.399 3.537 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1Cl 741470478 CBDRLARDVVVAQG-FNORWQNLSA-N 288.730 3.950 30 20 CHED C=CC[C@H](N[C@@H](C)C1(Br)CC1)c1ccncc1 925075802 QXKMKHMDITZSAO-AAEUAGOBSA-N 295.224 3.604 30 20 CHED C=CCCCC(=O)N=c1ccccn1Cc1ccc(C)cc1 748289442 DWRHABCXIUZUAQ-UHFFFAOYSA-N 294.398 3.628 30 20 CHED Cc1ncsc1/C=C1\Oc2c(Cl)cccc2C1=O 742433847 BOPZOWYMSJVNJE-YHYXMXQVSA-N 277.732 3.721 30 20 CHED C=CCOCCN[C@H](c1ccc(CC)cc1)c1cccnc1 926116693 SUNWJVGWAICTLG-LJQANCHMSA-N 296.414 3.526 30 20 CHED CCOc1ccc(O)c(C=Nc2cccc(F)c2)c1 920946003 NGTRGPNVTSSQHH-UHFFFAOYSA-N 259.280 3.681 30 20 CHED C=C(Cl)COC(=O)[C@H](C)CSc1ccc(F)cc1 756719314 XAYQDUFKTBNYSC-SECBINFHSA-N 288.771 3.850 30 20 CHED CCCCCCCCNC(=O)[C@@H](C)c1c(C)nn(C)c1C 754855826 YHZANUOBLJEFEZ-ZDUSSCGKSA-N 293.455 3.617 30 20 CHED Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1C 754901754 QYYCONRRPMVPPK-UHFFFAOYSA-N 284.388 3.698 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CCCCCC1 756901712 XTTVSOHMEJTHSR-UHFFFAOYSA-N 276.336 3.516 30 20 CHED C#C[C@H](CC)NC(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 753274238 XPOWTIFVHAFIFB-KBAYOESNSA-N 298.430 3.624 30 20 CHED COc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1C 921265859 DNVGPIANLKCEJW-LCYFTJDESA-N 298.313 3.801 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)/C=C\c1ccccc1C#N 757824311 HKQNNWYBHZHYGT-RXQFDZFGSA-N 296.414 3.999 30 20 CHED CC(CCc1cccc(C)c1)=NNc1nc(C)cc(C)n1 920359147 HSKSGTJCUQSOSS-UHFFFAOYSA-N 282.391 3.822 30 20 CHED c1ccc(C(CC2CC2)=NO[C@@H]2CCCCO2)cc1 755816129 STFJRZBPCZXXNI-MRXNPFEDSA-N 259.349 3.734 30 20 CHED CSCCC=NOc1ccccc1C(F)(F)F 755817252 XEFVEZVPHOJFQL-UHFFFAOYSA-N 263.284 3.823 30 20 CHED Cc1cccn2c(/C=C3/CCCC(C)(C)C3=O)cnc12 757535856 WWERIKAJNFLZCP-RAXLEYEMSA-N 268.360 3.805 30 20 CHED COc1ccc(C)cc1C=NNCc1cccc(Cl)c1 756827928 UAJXVOBXSYUJHB-UHFFFAOYSA-N 288.778 3.781 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)s1 755585246 QSAHOCJZUGKICV-OWOJBTEDSA-N 294.278 3.621 30 20 CHED CC1(C)CC(=NN=c2cc[nH]cc2Cl)c2ccoc2C1 756837944 FJZFUUOVTXKPPV-UHFFFAOYSA-N 289.766 3.539 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(C2CC2)[C@@H](C)C#N)cc1 855582988 ROISRKGFZWGKFA-OLZOCXBDSA-N 270.376 3.717 30 20 CHED N#CCN(C(=O)CC[C@@H]1CC1(Cl)Cl)c1ccccc1 857580975 HMBCZRINQMAGSR-LLVKDONJSA-N 297.185 3.517 30 20 CHED C=CCOCCSCc1cccc(OC)c1Cl 853775018 PJZNUORBGBUKDP-UHFFFAOYSA-N 272.797 3.784 30 20 CHED C=CCN(C(=O)c1cc(Cl)nc(Cl)c1)C(C)(C)C 165233022 FHLYGJLICRBSKG-UHFFFAOYSA-N 287.190 3.815 30 20 CHED CCSc1ccc(C(=O)/C=C/c2cnn(CC)c2)cc1 755606628 JXDJHHKXRIKKEH-BJMVGYQFSA-N 286.400 3.911 30 20 CHED C#CC[C@@H](NC(=O)c1cc(C)n(CC)c1C)c1ccccc1 757580049 OTELZAIXFLIPMU-GOSISDBHSA-N 294.398 3.619 30 20 CHED C#CCCCCNC(=O)[C@@H](CCCCC)C(C)C 758639686 NJUMADOPTWQOCD-HNNXBMFYSA-N 251.414 3.759 30 20 CHED C#CCCCC(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 758498812 WPDNHLOWFWJUGC-ROUUACIJSA-N 283.415 3.893 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCc2ccccc2C1 932208314 XUISISWOTMFNRX-CQSZACIVSA-N 257.377 3.564 30 20 CHED Oc1ccc(Br)c(C=NNc2ccccc2)c1 769794756 HCAGBCATABOVRD-UHFFFAOYSA-N 291.148 3.601 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](CC)C1CCC(C)CC1 764784514 LGFLJBXXJDEUSQ-NWINJMCUSA-N 251.370 3.684 30 20 CHED C=C1CCN(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)CC1 930901563 RJEYKGFYHTZQER-ZDUSSCGKSA-N 298.308 3.652 30 20 CHED CC(C)CN(CCC#N)Cc1cscc1Cl 768153312 CYKQZDYZVHCDNC-UHFFFAOYSA-N 256.802 3.773 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccc2c(c1)ncn2C 761202066 ZJRDTAHXGPFWDU-XBXARRHUSA-N 294.329 3.917 30 20 CHED CC(C)CCCCCC(=O)Nc1cc(CC#N)ccn1 763914220 MNKJGKMUTWICBM-UHFFFAOYSA-N 273.380 3.693 30 20 CHED C=CCCCC(=O)N(OC)[C@H]1CCCOc2ccccc21 764671817 OVZPAWIBADNFQS-HNNXBMFYSA-N 289.375 3.647 30 20 CHED Cc1cc(Cl)ccc1C=NOCC(F)(F)F 767388382 RURIDTACSLHSLD-UHFFFAOYSA-N 251.635 3.561 30 20 CHED Cc1cc(Cl)ccc1C[S@@](=O)CCCCC#N 768765357 WTKTXTIKVNINBB-KRWDZBQOSA-N 269.797 3.591 30 20 CHED C#C[C@@H](CC)OC(=O)c1cc(-c2ccccn2)ccc1Cl 768046329 BTCJQFGCXSKWJW-ZDUSSCGKSA-N 299.757 3.971 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCc2cc(O)ccc2C1 768835780 QFLLYXFSKQWBBU-MRXNPFEDSA-N 289.419 3.726 30 20 CHED Fc1ccc(F)c(C=NNCC2CCCC2)c1Cl 863113138 JUMJUKGVSCKDKC-UHFFFAOYSA-N 272.726 3.732 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)CC#Cc1ccccc1 1116269591 VMORTWDCWWSUSW-QZTJIDSGSA-N 283.415 3.903 30 20 CHED CCc1ccc([C@@H](C)CC(=O)OCC2(C#N)CCC2)cc1 768095829 BKZQTJCSHZHPTL-AWEZNQCLSA-N 285.387 3.980 30 20 CHED N#CCN(C(=O)c1[nH]ccc1-c1ccccc1)C1CCCC1 1117794028 JWSOTHRHOQWCEV-UHFFFAOYSA-N 293.370 3.590 30 20 CHED C=C(C)[C@H](NC(=S)NC(C)(C)C)c1ccc(F)c(F)c1 774206131 MXDRJYMYJVHKDV-ZDUSSCGKSA-N 298.402 3.845 30 20 CHED O=[N+]([O-])c1ccccc1/C=C/C=NOCCC(F)(F)F 777460595 QCUVRVJKZMRDMF-QFTRXNITSA-N 288.225 3.563 30 20 CHED C#CC[C@@H](N[C@@H](CC)C1CCOCC1)c1ccccc1 773115770 OWGNSNQFAIUBRY-ZWKOTPCHSA-N 271.404 3.546 30 20 CHED N#CCc1ccc(COC(=O)Cc2ccc(Cl)cc2)cc1 776113036 DRVAPHCBOIUIPZ-UHFFFAOYSA-N 299.757 3.692 30 20 CHED C#CCCCCCC(=O)NC1(Cc2ccccc2)CCC1 779987696 ZTBRTRZAVKSBBO-UHFFFAOYSA-N 283.415 3.852 30 20 CHED CC(C)CSCCCOC(=O)c1csc(C#N)c1 1117858773 VQACYDOFRYLSEH-UHFFFAOYSA-N 283.418 3.556 30 20 CHED FC(F)(F)CCON=Cc1sc(Cl)nc1Cl 777455819 LZZHBZWDSAGNCD-UHFFFAOYSA-N 293.097 3.753 30 20 CHED CCCCCCCCC(=O)N[C@H](CO)c1cccc(F)c1 771096922 FWQCOYZTEQGJPI-MRXNPFEDSA-N 295.398 3.726 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCC(CO)CC1 775544935 LXRLWWWMIHDFKH-INIZCTEOSA-N 297.483 3.994 30 20 CHED N#Cc1cccc(Cl)c1NCc1ccccc1O 774524664 VWQCUAKUMDJEDE-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C#CCCCCC(=O)N[C@H](CC)Cc1ccc(Cl)cc1 773302589 QMJZGECWHQSLHV-MRXNPFEDSA-N 291.822 3.971 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1cc2ccsc2[nH]1 771311636 JETACKPFGUWJNV-UHFFFAOYSA-N 299.326 3.577 30 20 CHED CC(C)(C#N)CCCn1ccc(-c2ccc(C#N)cc2)n1 771182888 PEYGCQGCOZJWKF-UHFFFAOYSA-N 278.359 3.752 30 20 CHED CCOCCON=C1CC(c2cccc(Cl)c2)C1 774433756 MMGVEKMCLYLINY-UHFFFAOYSA-N 267.756 3.627 30 20 CHED COc1ccc(-c2n[nH]cc2C=NOC2CCCCC2)cc1 777460138 VKQISNKRGFNCNH-UHFFFAOYSA-N 299.374 3.769 30 20 CHED C=C[C@@H](C(=O)N1CCC2(CC1)CC2(F)F)c1ccccc1 1123907006 NNBKLDBHBRTIFP-CQSZACIVSA-N 291.341 3.604 30 20 CHED CCCCC[C@H](C(=O)N(C)[C@H](C)CC#N)C(C)C 1121281287 SERNKCZRXRRUEE-KGLIPLIRSA-N 252.402 3.599 30 20 CHED C=C(C)CON=C(C)c1ccc(OCC(F)(F)F)cc1 771653211 XSZOKKMDCZBVGS-UHFFFAOYSA-N 287.281 3.944 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)N(CC)[C@H](C#N)CC)cc1 1121160668 HXXKDEVDFYJCMS-ZFWWWQNUSA-N 288.391 3.628 30 20 CHED COc1nc2ccccc2cc1/C=C/C(=O)c1cscn1 776193157 WSAMWHWVLHAVQB-VOTSOKGWSA-N 296.351 3.596 30 20 CHED CC1(C)CCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1 773986553 CFMREAOUANVLGJ-NWDGAFQWSA-N 282.343 3.830 30 20 CHED C=CCN(C(=O)Nc1cccc(C)c1F)C(C)C 776022463 DSFDTQBTPVYTHK-UHFFFAOYSA-N 250.317 3.562 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cccc2cccnc12 785760306 ACVWVFQRMSKEGS-QGZVFWFLSA-N 269.344 3.880 30 20 CHED CON=C1CCC[C@H]1c1cccc(C(F)(F)F)c1 788992029 QBZSHIHBMBIJAE-NSHDSACASA-N 257.255 3.975 30 20 CHED N#Cc1ccc(N[C@H]2CCc3cc(F)ccc32)cc1 132731383 QCJFELNIYFIWGC-INIZCTEOSA-N 252.292 3.797 30 20 CHED C=C1CCC(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 889816938 WUGOCBXBQAFAEB-HNNXBMFYSA-N 288.778 3.767 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1cscn1 783878672 ZECHQLPBERKYFO-UHFFFAOYSA-N 276.752 3.504 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C[C@@H]2CCCC[C@@H]2C)o1 783838370 ZAJQUNQYYYKORQ-STQMWFEESA-N 288.395 3.969 30 20 CHED Cc1cc(COC(=O)C[C@@H]2C=CCCC2)ccc1C#N 784832569 UGTLBBLHFUHZBW-CQSZACIVSA-N 269.344 3.656 30 20 CHED CCOc1ccc(/C=N/C[C@@H](SC)C(C)(C)C)c(O)c1 783681392 FJBWJFLEBCSSKM-ZXMBATIKSA-N 295.448 3.988 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)OCCCC(C)(C)C#N 783233017 DZHFQCNPONWCAF-CYBMUJFWSA-N 291.366 3.877 30 20 CHED C=CCCCCCON=CC(=O)Nc1cccc(F)c1 783008654 CYZMMBUAEHDXAC-UHFFFAOYSA-N 278.327 3.513 30 20 CHED C=CCCCCCOC(=O)/C=C/c1scnc1C 784824556 HJRHHJDFBILQCQ-CMDGGOBGSA-N 265.378 3.754 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1csc(C2CC2)n1 782299553 IBRSWZGKUASWIN-LBPRGKRZSA-N 263.410 3.523 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](c1ccncc1)C1CC1 894028316 NGWZIXSOEIARFA-CZUORRHYSA-N 287.407 3.577 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccsc1Cl 790218362 NGCOSBGUBNZDLW-PLNGDYQASA-N 280.780 3.648 30 20 CHED CSCCON=C1CC[C@@](C)(c2ccccc2)C1 794572019 JJMPHHGLABXZQD-OAHLLOKOSA-N 263.406 3.864 30 20 CHED C#CCC1(C(=O)N2CCc3cc(C)ccc3C2)CCCCC1 790990118 BYKITCWHEOZPBL-UHFFFAOYSA-N 295.426 3.854 30 20 CHED COc1cc(COC(=O)c2ccc(C)c(C#N)c2)ccc1C 799341023 VIKMHNGBUXSQMZ-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CCc1ccnc(C/N=C\c2cc3ccccc3nc2O)c1 797785138 UWJPXVBCPHQODB-ODLFYWEKSA-N 291.354 3.517 30 20 CHED CCc1cccc2c1OC/C(=C/c1cccc(C#N)c1)C2=O 794729150 YPCHDERGGATXKG-YBEGLDIGSA-N 289.334 3.779 30 20 CHED CC[C@](C)(C#N)C(=O)OCC[C@H]1CCC[C@@H](C)C1 797132332 PRKHPPWOPMZVMF-UMVBOHGHSA-N 251.370 3.686 30 20 CHED O=C1/C(=C/c2ccsc2Cl)Cc2c(O)cccc21 790216384 ZGKFULGDNNTHBL-RMKNXTFCSA-N 276.744 3.930 30 20 CHED CSc1cccc(F)c1C/N=C\c1cccc(O)c1O 794679434 HDXHWBYPJQMPBO-IUXPMGMMSA-N 291.347 3.578 30 20 CHED CCC(CC)[C@H](C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 792100134 KVRMUCATXVXPNI-JSGCOSHPSA-N 295.386 3.878 30 20 CHED CC[C@@H](C)NN=Cc1csc(-c2ccc(OC)cc2)n1 790182341 JEKFTMJTBSCHMB-LLVKDONJSA-N 289.404 3.541 30 20 CHED CC(=NNc1ncnc2ccsc12)c1cc(C)c(C)o1 799883257 VSSITGBKHUCIBG-UHFFFAOYSA-N 286.360 3.737 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 791067539 RYDMJMRTLWLNKY-BRWVUGGUSA-N 298.430 3.684 30 20 CHED COc1ccc(NC(=O)Nc2ccccc2C)cc1C#N 1202185693 GPQBZLJXSKONHA-UHFFFAOYSA-N 281.315 3.519 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccsc2Cl)c1 790156971 IVUCQNSXLKJJQS-UHFFFAOYSA-N 286.734 3.803 30 20 CHED Cc1ccccc1-c1noc(C)c1C(=O)OCC(C)(C)C#N 796826296 LSFIIRPTHGXXJE-UHFFFAOYSA-N 298.342 3.665 30 20 CHED N#Cc1cc(C(=O)Nc2c[nH]c3ccccc23)ccc1Cl 1157072376 NHKAHNJERJFKKJ-UHFFFAOYSA-N 295.729 3.945 30 20 CHED N#Cc1ccc(CNc2cccc(F)c2F)c(F)c1 40230764 UQEZDSNNVLOIKT-UHFFFAOYSA-N 262.234 3.588 30 20 CHED Cc1c(Cl)cccc1NC(=O)c1ccc(CC#N)cc1 58242962 LAZFRROJOCNRDT-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#Cc1cc(Br)cnc1NC1CCCCCC1 74370344 IBMOKAYOKLGGDB-UHFFFAOYSA-N 294.196 3.850 30 20 CHED Cc1cc(Nc2ccc(Cl)c(N(C)C)c2)ncc1C#N 1164190857 PFFIQETVYOHVPV-UHFFFAOYSA-N 286.766 3.725 30 20 CHED N#CCOc1ccc(NC[C@H]2C[C@H]2c2ccccc2)cc1 1319728742 CNWDNUFCMMURID-QAPCUYQASA-N 278.355 3.805 30 20 CHED C=C1CCN(C(=O)c2cc(C)n(Cc3ccco3)c2C)CC1 1318620274 KXNWHZLCXLJNKE-UHFFFAOYSA-N 298.386 3.538 30 20 CHED CC(Cc1ccccc1Cl)=NNC(=S)NC(C)(C)C 1318696097 MEKRMLANMYPDEG-UHFFFAOYSA-N 297.855 3.521 30 20 CHED CC(=NNCC1(C)CCCC1)c1c(C)nc2sccn12 1324357361 NHULUDDLNIJCTC-UHFFFAOYSA-N 290.436 3.598 30 20 CHED N#CCOc1ccc(N[C@H](C2CCCC2)C2CC2)cc1 1325317057 XJFUKVPIPWEQFC-QGZVFWFLSA-N 270.376 3.970 30 20 CHED CC[C@@H](C)c1nnc(-c2ccc(Cl)c(C#N)c2)o1 1328339330 MHNUFHFLKKIEIB-MRVPVSSYSA-N 261.712 3.775 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H]1CCCS1 87475419 SSQGQEXLPXIEGL-NSHDSACASA-N 252.770 3.519 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(OC)c(COC)c1 281508984 HDELUIXWKKDTDF-BBRMVZONSA-N 277.408 3.847 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cccc(CO)c1 1327798326 UCHVDTXSYQTUKW-UHFFFAOYSA-N 288.778 3.977 30 20 CHED CC1(c2ccccc2)CC(Nc2cccc(CC#N)n2)C1 1322565734 SZPZTWLZFXSBJS-UHFFFAOYSA-N 277.371 3.680 30 20 CHED CC(=O)c1c(Cl)cccc1N1CCC[C@](C)(C#N)C1 641486899 JJCYYVQOSMALQS-OAHLLOKOSA-N 276.767 3.673 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)c1ccccc1 189918519 RNFSKLDIESLLHN-AWEZNQCLSA-N 272.392 3.721 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3sccc32)cc1 61328209 KEIMPEINEZLRAQ-OAHLLOKOSA-N 268.385 3.787 30 20 CHED Cc1oc(C#N)cc1-c1nnc(-c2cc3c(s2)CCC3)o1 1327327519 XTMVKRGIIBFIOE-UHFFFAOYSA-N 297.339 3.727 30 20 CHED Cc1cc(NCc2cc3c(s2)CCCC3)cc(C#N)n1 561134163 VHWGMAJICHNBLL-UHFFFAOYSA-N 283.400 3.814 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)C1(C#N)CCCC1 193464530 KMDKLRROHKHNOD-CYBMUJFWSA-N 262.397 3.545 30 20 CHED COc1cc(CNc2cncc(Cl)c2C)ccc1C#N 690423091 IQFZAZUJHMDILG-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C#CCCCCC(=O)NC1CC(C)(C)CC(C)(C)C1 692917447 MLVPDVWECYILPJ-UHFFFAOYSA-N 263.425 3.901 30 20 CHED C[C@H](N[C@@H](C)c1ccccc1O)c1cccc(C#N)c1 783516282 GJYFKLDQFAWNRL-STQMWFEESA-N 266.344 3.676 30 20 CHED CC(C)(C)CC(=O)N(c1ccccc1C#N)C1CCC1 1334262295 UHCNXNUXJARPKC-UHFFFAOYSA-N 270.376 3.880 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1cc2ccccc2[nH]1 1331128270 RFTOIXDZWUJSIE-UHFFFAOYSA-N 270.376 3.729 30 20 CHED CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C)c(F)c1 1192881561 VYKXBQAKPLBLKC-INWMFGNUSA-N 260.356 3.867 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)O[C@@H](CC#N)c1ccco1 1345546424 FFUYPBHBWVCZOU-BZPMIXESSA-N 261.321 3.604 30 20 CHED N#C[C@H](C(=O)C[C@H]1CCc2ccccc21)c1cccc(F)n1 1342641021 KXBINQSKCDYDER-HIFRSBDPSA-N 294.329 3.517 30 20 CHED O=C(/C=C/c1ccc(N2CCCC2)cc1)c1cscn1 1341802877 QBUCRSAGDBFYAR-VMPITWQZSA-N 284.384 3.639 30 20 CHED C=C(CC)C(=O)Nc1ccc(CC(F)(F)F)cc1 1263744719 NEGNGLBEGVQURI-UHFFFAOYSA-N 257.255 3.696 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)Nc2cccc(C#N)c2)CC1 1349704298 PICTXSABSCBRSM-SHTZXODSSA-N 270.376 3.959 30 20 CHED Cc1cc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c(C)cc1Cl 1342679581 FDBMTXKDQDNHFD-VXGBXAGGSA-N 277.751 3.806 30 20 CHED Cc1cnc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c(C)c1 1343394991 RECIXQLRDKAMPN-GFCCVEGCSA-N 297.383 3.522 30 20 CHED Cc1sc(-n2cccc2)c(C(=O)O[C@@H](C)CC#N)c1C 1356016511 FHMXNXIWVBLNOC-JTQLQIEISA-N 288.372 3.615 30 20 CHED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3F)cc2)cc1 1356261447 FGNSDSLNZQVELL-HOTGVXAUSA-N 296.301 3.647 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccc(F)c(C#N)c2)[C@H](C)C1 1360860088 DUQNLIZSTTZUMB-HFAKWTLXSA-N 275.323 3.679 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2C)c(F)c1F 1516699730 RPFRWFMDJVSHTJ-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CCN(C[C@](C)(OC)C1CC1)[C@H](C)c1ccc(C#N)cc1 1474370037 OAJTZBVOAJDXIF-KDOFPFPSSA-N 286.419 3.756 30 20 CHED N#Cc1cccc(NC(=O)Nc2cccc3ccsc23)n1 1625881260 YNSXTLPWGVKYKE-UHFFFAOYSA-N 294.339 3.812 30 20 CHED N#Cc1cccc(NC[C@H]2CCC[C@@H]2c2ccccc2)n1 1642725703 VLVGEQAPBRCHSN-NVXWUHKLSA-N 277.371 3.949 30 20 CHED Cc1nc(C#N)cc(Nc2cccc(CC(F)(F)F)c2)n1 1650806007 IMQTZMDAHKDXIK-UHFFFAOYSA-N 292.264 3.505 30 20 CHED N#Cc1c(F)cccc1CNc1ccc(-c2ccon2)cc1 1658959754 FQICZHCPOABXAR-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CC[C@H]1C1CCC1 1658800144 ZRGANJLICRGJPO-GJZGRUSLSA-N 270.376 3.948 30 20 CHED CC(C)CC[C@@H](C)Nc1ccc(Cl)c(C#N)n1 1655038334 MMYPGUJPTQHTDS-SNVBAGLBSA-N 251.761 3.843 30 20 CHED N#Cc1ccc(CN(C(=O)OC2CCCCC2)C2CC2)cc1 1661078153 RKJVYJNBRCFTFG-UHFFFAOYSA-N 298.386 3.992 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)CC2CCCCC2)c1 1672774982 ACBZDVIQWITGTB-UHFFFAOYSA-N 285.391 3.911 30 20 CHED O=C(O)c1cccc(NN=C2CC[C@@H]2Cc2ccccc2)c1 1776038710 ZQZKBWDYOHITCR-CQSZACIVSA-N 294.354 3.805 30 20 CHED CC[C@@H](C/N=C/c1cccc(O)c1O)c1ccccc1 17309550 LOJBKFOQSZHVGC-HTMJNSLASA-N 269.344 3.711 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)c1cccc(C#N)c1 19515565 SELNDJCYXLOSLV-ZDUSSCGKSA-N 276.339 3.540 30 20 CHED C=C(Cl)C[S@@](=O)[C@H](CC)c1ccc(F)cc1 150812843 XKOGTBJFQVBZBN-WBMJQRKESA-N 260.761 3.778 30 20 CHED N#CC1(NC(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 160911019 ABBZRFQYRKONOD-UHFFFAOYSA-N 296.757 3.793 30 20 CHED C=CC1CCN(C(=O)c2ccc(F)c(SC)c2)CC1 163618956 BNTSVUJITBSWOF-UHFFFAOYSA-N 279.380 3.586 30 20 CHED C[C@H]1CC[C@H](NC(=O)N2CCC(C#N)CC2)c2ccccc21 153157719 NRNUQHBPAXLJHY-GUYCJALGSA-N 297.402 3.570 30 20 CHED CCN(Cc1ccc(N(C)CCC#N)cc1)CC(C)C 153692867 ZUXGFXDFKMSDOT-UHFFFAOYSA-N 273.424 3.514 30 20 CHED C#CCCCCN[C@@H](C)c1cccc(Br)c1 159796008 FVVDZWLQBZNLLX-LBPRGKRZSA-N 280.209 3.903 30 20 CHED C[C@@H]1CC[C@H](CN[C@H](C)c2ccc(OCC#N)cc2)C1 230406363 BVXKWFMGJSDUJJ-KFWWJZLASA-N 272.392 3.676 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(Br)c1C 232213786 KTKXFSXSRDHWLG-CYBMUJFWSA-N 295.180 3.636 30 20 CHED C=C[C@@H](C)N[C@@H](C)Cc1ccc(Br)cc1 235153704 LYWKHRLHGIIQBF-MNOVXSKESA-N 268.198 3.544 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(F)c(C)c1 129256840 SUXUZXTZAPEWHG-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H]2CCCC[C@H]2C1 252667555 LJRJCEITYVCHPJ-OLZOCXBDSA-N 258.340 3.714 30 20 CHED N#Cc1c(Cl)cccc1NCc1ccc([N+](=O)[O-])cc1 48346620 NDLRZBNTXDGKMI-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)cc1)C1CCCCC1 52343162 CYBXJNPKXCFMGC-MRXNPFEDSA-N 270.376 3.647 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1ccccc1 179674204 CEBRVEIAVNUOCQ-MRXNPFEDSA-N 255.361 3.544 30 20 CHED C=CCC(C)(C)CNCc1cc(C)nc(Cl)c1 401959863 UWECKYQCICNVFW-UHFFFAOYSA-N 252.789 3.735 30 20 CHED C=C(C)CCN(CCCCOC)Cc1ccccc1 509275732 GRRAUOFMARHSJN-UHFFFAOYSA-N 261.409 3.881 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc2c(s1)CC[C@H](C)C2 522237158 PKFYJPRRBFLVJB-LBPRGKRZSA-N 290.432 3.637 30 20 CHED C=CCOCCCN(Cc1ccccc1)C(C)(C)C 470768891 GMMCYEQVHOWGAW-UHFFFAOYSA-N 261.409 3.880 30 20 CHED N#Cc1ccc(NCCc2ccc(Cl)c(Cl)c2)nc1 716321606 ZKBGOGZRGMMNDU-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cnn(-c2ccccc2)c1 384870877 QZVNDINXKYXYLT-CQSZACIVSA-N 269.392 3.735 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 32533979 VUBICUIBCZKPNR-ZDUSSCGKSA-N 299.355 3.869 30 20 CHED C[C@H](NC1CCCCC1)c1ccc(OCC#N)cc1 37185961 JTBKWTMFGCKBOH-ZDUSSCGKSA-N 258.365 3.572 30 20 CHED Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] 37749732 FSCUWJPLGBXKQO-LBPRGKRZSA-N 281.315 3.948 30 20 CHED CN(CCCNc1ccc(C#N)cc1)C1CCCCC1 37863587 CGIOEVSTCVQWKW-UHFFFAOYSA-N 271.408 3.625 30 20 CHED C=CCNC(=O)Nc1ccccc1Cc1ccccc1 43339619 HMWJHWIKVIBILD-UHFFFAOYSA-N 266.344 3.585 30 20 CHED Cn1c(COc2ccc(C#N)cc2)nc2cc(Cl)ccc21 47345738 XTKTWYQLXKOBHL-UHFFFAOYSA-N 297.745 3.677 30 20 CHED Cc1cccc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)c1 48985085 MXSKKSHHWNCEMI-CMDGGOBGSA-N 268.360 3.912 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(C)s1 60677754 YIHMHKJJKHJOMR-UHFFFAOYSA-N 277.414 3.946 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)cc1 64456599 UFAREBZXGOHPSP-UHFFFAOYSA-N 294.354 3.943 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)cc1 64926144 MVKVNRPCRNWSPJ-DHZHZOJOSA-N 298.386 3.722 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC[C@@H](C)c2ccccc21 69354090 TVEXREHKDKKPQM-ZIAGYGMSSA-N 273.376 3.508 30 20 CHED Cc1ccc(Cl)cc1NC(=O)Cc1ccc(C#N)cc1 70158568 WTNWVFYDLLQOOV-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(C)C[C@@H](C)C#N 72567801 NKQDTOHRXRWHDO-ZFWWWQNUSA-N 264.413 3.601 30 20 CHED C=C(C)CN(CC)C(=O)/C=C/c1ccc2ccccc2n1 73556972 BERZNADWDWFQFF-VAWYXSNFSA-N 280.371 3.673 30 20 CHED C=C(Br)CN(C)[C@@H]1CC[C@@H](SCC)C1 76069757 LPPCMBUHNGBKSY-GHMZBOCLSA-N 278.259 3.501 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1 78679867 HYYSVKFLJKZWCP-LBPRGKRZSA-N 286.375 3.707 30 20 CHED CC[C@@H]1CN(C(=O)C2(C#N)CCC2)CC[C@H]1c1ccccc1 80450788 ZJLYFBPAGIFFKA-NVXWUHKLSA-N 296.414 3.723 30 20 CHED C=CCCc1csc(COc2ccc(OC)cc2)n1 90065534 LFTLFLWBRSWIID-UHFFFAOYSA-N 275.373 3.849 30 20 CHED N#Cc1c(Cl)nsc1Sc1ccccc1 92581516 KPUFYGJZDWIYRC-UHFFFAOYSA-N 252.751 3.819 30 20 CHED N#Cc1c(F)cccc1Oc1ccc(C(=O)O)cc1Cl 93410594 UUGWCFDUVXDYNH-UHFFFAOYSA-N 291.665 3.841 30 20 CHED C=CCCC(=O)Nc1ccc(OC)c(OC2CCCC2)c1 102225836 FZTQHCWHTXWWQC-UHFFFAOYSA-N 289.375 3.921 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1CC(=O)OC 103357378 HJLUIEITCRMGKK-HNNXBMFYSA-N 297.439 3.681 30 20 CHED CC(C)(C)c1csc(CC/N=C/c2ccccc2O)n1 105356240 GYHGNSFAGCRXGT-LICLKQGHSA-N 288.416 3.808 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc2[nH]c(C)cc2c1 113308182 NVZFEVWIHYHHEL-AWEZNQCLSA-N 299.418 3.701 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1cccc(OC(C)C)c1 116941879 QQLNXRPWDHYSNN-UONOGXRCSA-N 290.407 3.799 30 20 CHED CN(CCCCC#N)Cc1ccccc1C(F)(F)F 120077007 NVLDTRFBUKOZOR-UHFFFAOYSA-N 270.298 3.831 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccccc2CC)c1 120724125 WQHNCVJJGMWVHY-UHFFFAOYSA-N 263.340 3.507 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1c[nH]c2ccccc12 121037145 RJHSJAMNEPSBRE-FNORWQNLSA-N 281.286 3.909 30 20 CHED CCOc1cccc2cc([C@@H](C)N[C@H](C#N)CC)oc12 122199762 RAOWJPMJHXLKNK-YPMHNXCESA-N 272.348 3.784 30 20 CHED C=CCn1c(SCC2CC2)nnc1-c1ccccc1 122903775 VEAOHTOZJYWBJU-UHFFFAOYSA-N 271.389 3.633 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCC1)c1cccc2ccccc12 128321356 DMHVKZXJKKPWQZ-CYBMUJFWSA-N 278.355 3.711 30 20 CHED C[C@H](Cc1ccc(F)cc1)Nc1ccc(OCC#N)cc1 128718777 LWLUJNZFIXOKPP-CYBMUJFWSA-N 284.334 3.771 30 20 CHED C=CCCC(=O)CSc1nc(C)nc2ccccc12 134639312 HWXKGRHBOKPVCK-UHFFFAOYSA-N 272.373 3.566 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc(F)cc1Cl 135153111 KQQHNECMDCCFRD-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1ccc(C#N)cc1 135210835 RVPVZLZAOMPGOZ-OLMNPRSZSA-N 296.414 3.670 30 20 CHED C=CC[C@H](C(=O)NCc1ccccc1)c1ccccc1 143706209 KIGGLYQWCBPUMG-KRWDZBQOSA-N 265.356 3.663 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccccc2)cc1 152949837 KJRWPEAFYDVBLC-OAHLLOKOSA-N 265.356 3.549 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 154650976 UQSACDMTOULGDX-DLBZAZTESA-N 294.483 3.680 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1c1cccc(C)c1C 155066283 VIRWLBHNQTUTET-SFHVURJKSA-N 298.430 3.953 30 20 CHED C[C@H](CC#N)NC(=O)CC1CCC(C(C)(C)C)CC1 156033923 JXFNCWUWNMDZLT-IYXRBSQSSA-N 264.413 3.647 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2cc(F)ccc2C#N)C1 160880842 MEACAJQATJNZBJ-HZPDHXFCSA-N 292.423 3.803 30 20 CHED Cc1cccc(C2(C(=O)NCCCCC#N)CCCC2)c1 171500019 JNGXYKSWLUWGDQ-UHFFFAOYSA-N 284.403 3.617 30 20 CHED C#CCCCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 172947478 BTZJKIOTFQDXJH-UONOGXRCSA-N 296.197 3.627 30 20 CHED C=CCCCOC(=O)[C@@H](C)CC(=O)c1cccc(F)c1 173589847 FUMOJNOZMFODOE-LBPRGKRZSA-N 278.323 3.544 30 20 CHED C=CCOc1ccc(OCc2nc(C(C)(C)C)no2)cc1 174231777 YCJZYGHSXHGPSP-UHFFFAOYSA-N 288.347 3.511 30 20 CHED C[C@H]1CCCC[C@@H]1OCCNCC(C)(C)CCC#N 174284919 YVCYVZXUSQVYIP-GJZGRUSLSA-N 266.429 3.501 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2cc(C#N)ccc2C)C1 175748166 MCAHOMGSDKUCPK-KRWDZBQOSA-N 285.391 3.911 30 20 CHED C[C@H](OC(=O)c1cccc(Cl)n1)c1ccc(C#N)cc1 175765218 YHYRFQWTTNJPKC-JTQLQIEISA-N 286.718 3.525 30 20 CHED CC[C@H](C#N)OC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 176020969 RRTZCMIRPDNRMY-ZACQAIPSSA-N 279.339 3.789 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CCC1CCC1 176251242 MGKPPFHUXXXXJP-UHFFFAOYSA-N 282.387 3.653 30 20 CHED CCCc1ccccc1NC(=O)N(CCC#N)CC1CC1 176838740 AOSDRVOYCDKYIO-UHFFFAOYSA-N 285.391 3.797 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 177868616 AHKXGZSSMRIAJI-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED C=CCCCC(=O)Nc1cc(CN2CCCC2)ccc1C 178819743 NGJHCXOXHQNRAL-UHFFFAOYSA-N 286.419 3.886 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cncc(-c3ccccc3)c2)C1 179971219 QLKZPZBJNJPBOD-CXAGYDPISA-N 292.338 3.598 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)[C@@H]1c1ccccc1 180222438 UASXJRFDGXDFIG-WBMJQRKESA-N 268.385 3.813 30 20 CHED N#CCOc1ccc(CNC2CC(c3ccccc3)C2)cc1 180641768 PNDARODAAPEASN-UHFFFAOYSA-N 292.382 3.625 30 20 CHED CC[C@H](C)N(C)Cc1ccc(C#N)cc1Br 181167810 HBGMZCLIPVBCCT-JTQLQIEISA-N 281.197 3.551 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(-c2ccc(C)o2)s1 181809465 VZGJLUNBOWJGBY-UHFFFAOYSA-N 275.373 3.965 30 20 CHED C#C[C@H](C)OC(=O)c1ccccc1Oc1ccccc1C#N 182135562 QPIBXEQVJOTTHH-ZDUSSCGKSA-N 291.306 3.529 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccccc1F 182592310 XGSAJUMTWNUIKK-UONOGXRCSA-N 277.383 3.865 30 20 CHED C#CCCCCNCC1CCC(C(F)(F)F)CC1 183732450 SGMOSXBOTZCOAO-UHFFFAOYSA-N 261.331 3.748 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)NCCCCC#N)CC1 184445529 KDJZMQIIAHIFOD-GJZGRUSLSA-N 279.428 3.584 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 184495272 CRLUCZHVRVNXFG-UHFFFAOYSA-N 285.174 3.564 30 20 CHED C[C@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)o1 185085646 LHVNIZDOLVDOAW-UGSOOPFHSA-N 280.371 3.955 30 20 CHED C#CCCCCNC(=O)c1c[nH]cc1-c1ccc(C)s1 186339149 OFCBQTLZHMZSSI-UHFFFAOYSA-N 286.400 3.585 30 20 CHED C[C@@H](C#N)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 186544178 UQOYHOWLIJVEHB-WCQYABFASA-N 294.782 3.612 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H]1CCC[C@@H]1C 186844784 VBKVPBGUJIIWQW-KBPBESRZSA-N 264.413 3.791 30 20 CHED COCc1ccccc1NCc1ccc(Cl)cc1C#N 187718273 URQPJMKPXAVDFJ-UHFFFAOYSA-N 286.762 3.970 30 20 CHED CC#CCCCC(=O)Nc1ccc(CN(CC)CC)cc1 188377873 LZZCGFPQPIIQNI-UHFFFAOYSA-N 286.419 3.661 30 20 CHED C#CCCCCC(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 188648540 NOZUWCXBHURSHQ-KRWDZBQOSA-N 287.359 3.716 30 20 CHED C=CCN(Cc1ccc(F)nc1)Cc1ccccc1F 189306366 AMSKHZKKVQNUQJ-UHFFFAOYSA-N 274.314 3.548 30 20 CHED C[C@@H]1CSC(S[C@H](C)c2cccc(C#N)c2)=N1 189874011 XEIJEVZVIJHSPR-NXEZZACHSA-N 262.403 3.844 30 20 CHED C#CCCCC(=O)N1CC2(CCCC2)c2ccccc21 192148692 VOSMHBVWWYTSQX-UHFFFAOYSA-N 267.372 3.649 30 20 CHED CSC1(C/N=C/c2c(O)ccc3ccccc23)CC1 193256840 RVOCNVSJQCRVCE-LICLKQGHSA-N 271.385 3.860 30 20 CHED C=CCn1c(SCCC(C)C)nnc1-c1ccncc1 193420466 XTBOJLLFCMPNHP-UHFFFAOYSA-N 288.420 3.664 30 20 CHED C=CCOc1cccc(NC(=O)NOCc2ccccc2)c1 193710041 NKWWLOUTJSFZQU-UHFFFAOYSA-N 298.342 3.505 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 209992408 FYFQIZHJJHUXBM-DJWKRKHSSA-N 288.249 3.590 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1c[nH]c2ccccc12 211303683 XIYIPUMVWXGNBI-ALCCZGGFSA-N 289.334 3.999 30 20 CHED Cc1cccc(C)c1COc1ccc(C#N)cc1F 225241338 MAOYRWZAMGBOOG-UHFFFAOYSA-N 255.292 3.893 30 20 CHED N#Cc1ccc(CNCCCC2CCCC2)c(F)c1 227595561 NWMGDGCGXZIFBT-UHFFFAOYSA-N 260.356 3.757 30 20 CHED Cc1ccnc(NCCc2ccc(Cl)s2)c1C#N 230076458 HXJKBASAKHQORV-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 245382050 GTNVCPMXHTVWLG-YHUYYLMFSA-N 261.409 3.770 30 20 CHED CC[C@@H]1CCCCN1Cc1ccc(O[C@H](C)C#N)cc1 245506943 OVYIZRWHZJODDF-GDBMZVCRSA-N 272.392 3.742 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)Nc2ccc(CC#N)cc2)C1 246829359 GRJIONYFGNCCRD-VIKVFOODSA-N 285.391 3.699 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 247008572 RRTZCMIRPDNRMY-IXDOHACOSA-N 279.339 3.789 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(CC#N)cc2)C1(C)C 248200944 VQHGNXHYDMFHBC-JKSUJKDBSA-N 282.387 3.930 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)s2)s1 255423306 GCPCNYICONNFDD-WAYWQWQTSA-N 259.355 3.886 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3c(C)cccn23)s1 255517254 RDNHFLHVCRHYBT-SREVYHEPSA-N 282.368 3.909 30 20 CHED CC(C)CCOCC/N=C\c1cc(Cl)ccc1O 255659440 URPVPNGCFSSYJC-YBEGLDIGSA-N 269.772 3.527 30 20 CHED C=C(C)[C@H](CC(=O)Nc1c(C)cccc1CC)OCC 270139129 ZRYXUYPDXPNZIQ-HNNXBMFYSA-N 275.392 3.867 30 20 CHED C#CCCCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 271051699 QAJSGRPYPRTSHR-INIZCTEOSA-N 295.386 3.677 30 20 CHED Cc1cc(F)cc2c(N[C@@H]3CCO[C@H](C)C3)c(C#N)cnc12 271409221 PCHAYGSMTMADAU-BXUZGUMPSA-N 299.349 3.533 30 20 CHED C=CCN(C(=O)c1csc(-c2ccccc2C)n1)C1CC1 271452735 FAQJVKYXWZOTSZ-UHFFFAOYSA-N 298.411 3.909 30 20 CHED C=CCCCCNC(=O)Nc1cccc2[nH]ccc12 274569202 HBSAFRYQLZOJQX-UHFFFAOYSA-N 257.337 3.646 30 20 CHED C[C@@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 274706619 RXVYOLNMTONAFL-DOMZBBRYSA-N 270.376 3.562 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)N(C)C[C@@H](C)C#N)c1C 275664914 MCDXWMSEAKKQQT-LBPRGKRZSA-N 296.370 3.795 30 20 CHED C=CCC[C@@H](NC1CCN(CC=C)CC1)c1ccco1 276383772 AAPZSHDEBIZDOG-MRXNPFEDSA-N 274.408 3.527 30 20 CHED C#CCCCC(=O)N(CCC)[C@H](C)c1ccccc1OC 277014739 LZSYXHXNBQTXBO-OAHLLOKOSA-N 287.403 3.798 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNC(=O)CC(C)(C)C#N 278906277 ZGYDGIUREPEXMR-UHFFFAOYSA-N 298.308 3.570 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc2nc(C)ccc2c1 280543019 DBQAHOZRGNUIGT-MJGOQNOKSA-N 296.414 3.614 30 20 CHED Cc1cc([C@H](C)NCc2cccc(C#N)c2)oc1C 282089296 IBOLBUYNPIVQOP-LBPRGKRZSA-N 254.333 3.619 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccccc1SC 282999722 YUKRFKFBCFDRCJ-GFCCVEGCSA-N 278.421 3.687 30 20 CHED CC(C)(C#N)CCCCN1CCCC[C@@H]1c1cc[nH]n1 285513536 YNHLWPZQNNYREU-OAHLLOKOSA-N 274.412 3.657 30 20 CHED CCN(Cc1cnccc1OC)[C@@H](C)c1ccc(C#N)cc1 287388904 REHBDCTUOISEAD-AWEZNQCLSA-N 295.386 3.545 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2cccc(C)c2)no1 290098613 DQCWQBBFQXXUGQ-INIZCTEOSA-N 272.348 3.525 30 20 CHED C=C[C@@H](CC(=O)N1CC(C)(C)[C@H]1C1CC1)c1ccccc1 291115434 MXIZDJPAGAABIN-KBXCAEBGSA-N 283.415 3.993 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnn(CC(F)F)c2)s1 292414508 ZAQNISHMXMCBSE-HWKANZROSA-N 296.342 3.668 30 20 CHED C=CCC[C@@H](CC)Nc1cccc(OC(=O)NC)c1 292696101 BVISIYQERMTHNY-GFCCVEGCSA-N 262.353 3.562 30 20 CHED C=C(C)CN[C@@H](C)c1nc2ccccc2n1C(F)F 298513853 REPKSJJUCLNLRI-JTQLQIEISA-N 265.307 3.658 30 20 CHED CC(C)N(Cc1ccco1)Cc1cc(C#N)ccc1F 299345518 FSVYGZJUGCEGIF-UHFFFAOYSA-N 272.323 3.701 30 20 CHED CN(Cc1nc2ccccc2s1)c1ccc(F)cc1C#N 301376961 WLDMKMPRKTVXRP-UHFFFAOYSA-N 297.358 3.943 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cn1 301562618 PADWITJDNMFNJZ-SMDDNHRTSA-N 287.725 3.714 30 20 CHED C=CCCOCCNc1ccnc2ccc(Cl)cc12 301801911 AATPOOONWSLDSU-UHFFFAOYSA-N 276.767 3.893 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CCCC[C@H]2C)c1 302043414 SKTJOZGDJXEXPL-ABAIWWIYSA-N 256.349 3.751 30 20 CHED C=C(C)COCCNc1c(C)c(C)nc2ccccc12 302099561 UPBLBPIQSLYPKE-UHFFFAOYSA-N 270.376 3.856 30 20 CHED CCC[C@]1(C)CCCN(c2c(C#N)cccc2C#N)C1 302892923 QBKMROXMVXSXGJ-QGZVFWFLSA-N 267.376 3.837 30 20 CHED CC[C@H]1CCCCN1CCNc1ccc(C#N)c(Cl)c1 303573248 JGPVPPWDYKYOQG-HNNXBMFYSA-N 291.826 3.888 30 20 CHED Cc1ccc(Br)c(N[C@H]2CC[C@H](C#N)C2)c1 309884079 XFWABXIBUIJJJD-QWRGUYRKSA-N 279.181 3.862 30 20 CHED C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 315615009 VNJZTMOZPPERLV-STQMWFEESA-N 295.342 3.878 30 20 CHED C[C@@H]1CC(=O)CC[C@@H]1/C(O)=N/[C@@H]1CCO[C@H](C(C)(C)C)C1 328967494 NLOOBIBVHTZGJK-UXOAXIEHSA-N 295.423 3.542 30 20 CHED C[C@H]1CCC[C@@H](C(O)=Nc2cccc(-c3cnn[nH]3)c2)C1 329609778 RBQCCPVUAMUGLG-WCQYABFASA-N 284.363 3.886 30 20 CHED OC(=Nc1nc[nH]n1)C1(C2CCCCC2)CCCCC1 329923298 IKOXNSAPJBSBQI-UHFFFAOYSA-N 276.384 3.924 30 20 CHED CCOc1cccc([C@H](C)/N=C(/O)N[C@@H]2CCC[C@H]2C)c1 330377897 QQOAVSYWROKQNM-DVOMOZLQSA-N 290.407 3.839 30 20 CHED CC1(C(=O)Nc2ccc(C#N)c(C#N)c2)CCCCCC1 332247513 BKXLUIZRHIITBC-UHFFFAOYSA-N 281.359 3.729 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CCC[C@H](F)C2)c(Cl)c1 335085824 OAHZRDIFVJGBIP-RYUDHWBXSA-N 294.757 3.873 30 20 CHED N#Cc1ccc(C(=O)N2CC3(CCC3)c3ccccc32)s1 335717944 KXIYOZGTVJFJPM-UHFFFAOYSA-N 294.379 3.702 30 20 CHED CC[C@]1(C)CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 336072003 YOWQXPKALBPMET-GOSISDBHSA-N 284.403 3.750 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccoc1 336084030 UAVAPIXBSZVIFS-KRWDZBQOSA-N 266.344 3.709 30 20 CHED Cc1ccnc(CNc2ccccc2SC[C@H](C)C#N)n1 339412348 NEWBKBCSFUMKRA-GFCCVEGCSA-N 298.415 3.649 30 20 CHED C=C[C@H](C)NC(=O)CCSc1ccc(Cl)cc1 340533990 YWAHWHRJZGFSHB-JTQLQIEISA-N 269.797 3.513 30 20 CHED CC(C)(CCC#N)CNc1nc(C(F)(F)F)ccc1C#N 340905776 VWNREPWEZUDAGN-UHFFFAOYSA-N 296.296 3.714 30 20 CHED N#Cc1ccc(C[S@@](=O)Cc2ccccc2C2CC2)cc1 341457060 KDAXLOGEWKTMNU-OAQYLSRUSA-N 295.407 3.885 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CCC1 341871966 GUKHEMICIQNQEJ-PXAZEXFGSA-N 254.377 3.714 30 20 CHED N#Cc1c(F)cccc1NCCc1ccc2ccccc2n1 344485526 ZPHSQLGRBZVLSK-UHFFFAOYSA-N 291.329 3.900 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cccc(F)c1F 348209464 YMPXIYBTFSXVSP-NSHDSACASA-N 266.335 3.945 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2ccccc2)cn1 350700922 OTQRKZQRXIXQGS-QGZVFWFLSA-N 279.343 3.627 30 20 CHED Cc1ccc2oc(-c3noc(-c4ccc(C#N)[nH]4)n3)cc2c1 350983157 FBSICQCWGIMLPK-UHFFFAOYSA-N 290.282 3.658 30 20 CHED C=CCCC1(C(=O)NCCc2cccc3cccnc23)CC1 353850473 ICQNDVOGAZRXFH-UHFFFAOYSA-N 294.398 3.640 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCc2ccc(F)cc21)C1CC1 354796546 WBKDCGSYAKNQFD-MRXNPFEDSA-N 288.366 3.563 30 20 CHED CC[C@@H](C)c1noc(C2(c3cccc(C#N)c3)CC2)n1 355886783 IPEJWADWJGDVNV-LLVKDONJSA-N 267.332 3.535 30 20 CHED C=CCN(Cc1cc(-c2ccc(F)cc2)no1)C1CC1 357553215 OQXVTQUECVZVEP-UHFFFAOYSA-N 272.323 3.631 30 20 CHED N#CCCCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 360005246 IBSIFQAQKWZNSW-UHFFFAOYSA-N 299.305 3.645 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NCCC1CC1 361301672 YAXMRDASCAXGDN-UHFFFAOYSA-N 273.286 3.597 30 20 CHED C=CCCOCCCCC(=O)Nc1ncc(Cl)cc1C 362245463 RZIXZDNNBXMEGX-UHFFFAOYSA-N 296.798 3.745 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccccc1)C1CCOCC1 365838959 LBRSRCZRJWVMBC-SFHVURJKSA-N 287.403 3.627 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 369295441 WIALHABQSAHWIH-GOEBONIOSA-N 290.382 3.679 30 20 CHED CC(C)C[C@H]1CCCN1Cc1cc(C#N)ccc1F 396871808 OMJRUMYWGSZLNQ-OAHLLOKOSA-N 260.356 3.708 30 20 CHED CCc1ccc(NCc2ccc(CC#N)cc2)cc1 398966098 RBECAPIFFIOMGH-UHFFFAOYSA-N 250.345 3.927 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N([C@H](C)CCC#N)C2)cc1 411683793 HPYVTYSPQNJRKT-HLLBOEOZSA-N 256.393 3.865 30 20 CHED C[C@@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CS1 413525625 YSHKNEYNTJFRTF-PSASIEDQSA-N 286.322 3.883 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1occc1C 413560891 XOVUAKSSCSFXSO-INIZCTEOSA-N 298.386 3.575 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C#N)c(F)c1 414214799 TXSDVURYGUWPOY-NYDIPFLSSA-N 258.340 3.537 30 20 CHED N#CC1(CCn2ccc(C(F)(F)F)n2)CCCCC1 418948250 PYZVAEWEMBJINO-UHFFFAOYSA-N 271.286 3.766 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)N1CCCc2cc(C#N)ccc21 425608537 PCVMNBKPONPCGN-XJKSGUPXSA-N 282.387 3.664 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2c(C)c(C)ccc2[nH]1 428035317 PLZKKGLBBVJSSI-CQSZACIVSA-N 282.387 3.965 30 20 CHED C=CCN(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C 430326918 LATPDMXIEBQLFH-WBVHZDCISA-N 286.419 3.774 30 20 CHED CC(C)[C@H](CCc1ccccc1)NCC1(CC#N)CC1 430743383 OHWNJQCATXHFJO-KRWDZBQOSA-N 270.420 3.927 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 431941716 MRRBRRSJJHMAMC-RHSMWYFYSA-N 286.419 3.713 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1cccc2cccnc12 432078781 LVDWDLXJNKTTHP-UHFFFAOYSA-N 297.402 3.636 30 20 CHED C=C(C)CN(C)C(=O)c1c(Cl)cc(F)cc1Cl 432141513 FBGYXQKPPSEHRY-UHFFFAOYSA-N 276.138 3.781 30 20 CHED C=CC1CCN(C(=O)NC[C@H](c2ccccc2)C2CC2)CC1 432601717 OECWDZYGIUCUFR-GOSISDBHSA-N 298.430 3.788 30 20 CHED Cc1cc(OCCCOc2cccc(C#N)c2)ccc1C#N 434647445 GICJOAKMMVIQSH-UHFFFAOYSA-N 292.338 3.586 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 437490117 BURLMOVLIKIMMT-MSOLQXFVSA-N 295.382 3.551 30 20 CHED C=C[C@@H](CC(=O)NCc1cc(CC)ccn1)c1ccccc1 437737899 QMALNVKFACJGGU-INIZCTEOSA-N 294.398 3.620 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(COCC)c1 439498316 JDLFHVQEWRDYJG-CQSZACIVSA-N 276.380 3.699 30 20 CHED C=CCCC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 439994329 JSIKBOKFCRILIU-LJQANCHMSA-N 283.415 3.849 30 20 CHED N#Cc1cnc(NCCc2ccc3[nH]ccc3c2)c(Cl)c1 440570548 VYWRUBMPMDYUND-UHFFFAOYSA-N 296.761 3.743 30 20 CHED COc1ccc(CCCNCc2ccc(C#N)c(C)c2)cc1 443976078 CQRDEBHGGUBDHG-UHFFFAOYSA-N 294.398 3.598 30 20 CHED CC[C@H](NCCCOCC(C)C)c1ccc(C#N)cc1 447515389 KDQZUCXEKAKRBI-KRWDZBQOSA-N 274.408 3.662 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1 449057894 ZFDPDUPXCFOKJT-UHFFFAOYSA-N 289.375 3.779 30 20 CHED N#CCc1ccc(NCc2ccnn2C2CCCC2)cc1 449234066 AKPCTRNGIYNTFA-UHFFFAOYSA-N 280.375 3.676 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc2c(c1)N(C(N)=O)CC2 449287386 KEFABGMTSJYXTM-CYBMUJFWSA-N 287.407 3.675 30 20 CHED C=C(C)CCNC(=O)c1cnn(C(C)C)c1-c1ccccc1 452716980 KCNYLXNXVKQDHZ-UHFFFAOYSA-N 297.402 3.827 30 20 CHED C=CCC[C@@H](CO)N[C@@H](CC)c1ccc(OC(F)F)cc1 453371750 UUZZAXMTZJBWII-ZFWWWQNUSA-N 299.361 3.656 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 454521069 JDNCUFNAYNSLST-XJKSGUPXSA-N 290.382 3.945 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 455306040 FVUXBBUOPZISFO-OAHLLOKOSA-N 276.355 3.638 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)c1cccc(SCC#N)c1 457238613 VZJCUTDSPGRXGH-LBPRGKRZSA-N 290.432 3.857 30 20 CHED CC(C)[C@H]1N(C(=O)c2ccc(C#N)cc2)CC12CCCCC2 458170617 FXNOSEAMIOTFEL-QGZVFWFLSA-N 296.414 3.989 30 20 CHED C=C(C)CCNC(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 458994442 GFGYYDHTBRESHL-VYDXJSESSA-N 286.419 3.929 30 20 CHED C[C@H]1CCCC[C@@H]1N1CCC(NCC(C)(C)CC#N)CC1 459734696 SOGRJWJYXUXUOT-RDJZCZTQSA-N 291.483 3.559 30 20 CHED CC(C)(CC1CCCCCC1)NC(=O)CCCC#N 464437900 CYBHQFKHRDBOAH-UHFFFAOYSA-N 264.413 3.936 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccccc1C)C1CC1 466434498 KXFQQSFGSGEWMW-GOSISDBHSA-N 269.388 3.756 30 20 CHED C=CCCN(C)C(=O)CCCCOc1cc(C)ccc1C 466652762 ZGLRQCACFXTNBQ-UHFFFAOYSA-N 289.419 3.887 30 20 CHED C=CCCO[C@@H](C)C(=O)NCC[C@H](C)CC(C)(C)C 468104149 WGHOIIBPKNFKKO-KBPBESRZSA-N 269.429 3.546 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1occc1C 470646601 XNQPGMQVBUSKOB-UHFFFAOYSA-N 269.344 3.807 30 20 CHED C=CCOCCCN(C)[C@H](c1ccccc1)C(C)C 470771215 FLWHRXVINFJOOF-KRWDZBQOSA-N 261.409 3.908 30 20 CHED C=CCCCCNCc1c[nH]nc1-c1cccc(C)c1 472034791 IMRDZFCJSMEJKX-UHFFFAOYSA-N 269.392 3.831 30 20 CHED C=C(C)CNC1(c2cccc(C(F)(F)F)c2)CC1 472231823 KVJHRXOYLPYBQI-UHFFFAOYSA-N 255.283 3.860 30 20 CHED C=CCCCCNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 473655732 ZISIIPROYFWFEB-UHFFFAOYSA-N 290.363 3.672 30 20 CHED C=CCCOCCN[C@H]1CC(C)(C)c2cc(OC)ccc21 474058973 WYAAVCKAICHVAI-KRWDZBQOSA-N 289.419 3.600 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CC[C@H](C)C1)c1ccccc1 474111944 GFFRWVSHGMYPHD-SQWLQELKSA-N 257.377 3.651 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 476709687 QRRHSPVVXGUZLV-VRKREXBASA-N 297.402 3.813 30 20 CHED C=C(C)CN1CCC(N[C@H](C)CCCC(F)(F)F)CC1 480210379 QLVUMUWAZILBCF-CYBMUJFWSA-N 292.389 3.738 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)Cc1ccc(C#N)cc1 480377053 MWUONJWVZGDWAI-HUUCEWRRSA-N 298.430 3.822 30 20 CHED Cc1cccc2cc(C(=O)N[C@@]3(C#N)CC3(C)C)sc12 484899391 IQQPRJUVDXRJNM-MRXNPFEDSA-N 284.384 3.632 30 20 CHED N#CCN(Cc1cc(F)cc(Cl)c1)C1CCCC1 485735233 RXIBBDCLJCHCNG-UHFFFAOYSA-N 266.747 3.747 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1cncc2ccccc12 488835501 YQHJUXWMEMQDEG-KRWDZBQOSA-N 294.398 3.735 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 494870632 IWWGJWDEPZWVEY-LURJTMIESA-N 277.126 3.829 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1CC(C)(C)C1 505948734 QJTDZOPRKOFJLZ-UHFFFAOYSA-N 263.406 3.699 30 20 CHED C=C(CNC(=O)N1CCC[C@@H]1C(C)C)c1ccccc1 512673208 POFKPZYMKXFJIR-MRXNPFEDSA-N 272.392 3.530 30 20 CHED C=C1CCN(Cc2cc(Br)ccc2OC)CC1 513472703 KIYXNBJMCQKLPG-UHFFFAOYSA-N 296.208 3.610 30 20 CHED C=CCNC(=O)Nc1cccc(OCc2cccc(C)c2)c1 522083763 QHHPQSFZQKLRSW-UHFFFAOYSA-N 296.370 3.882 30 20 CHED CCC[C@H](Cc1ccccc1)Nc1cccc(C#N)n1 522936130 HOMZHSQTRXGTDD-OAHLLOKOSA-N 265.360 3.777 30 20 CHED COCc1ccc(NCc2csc(C3CC3)n2)cc1C#N 527762344 KGZXNPFDEZIEQA-UHFFFAOYSA-N 299.399 3.651 30 20 CHED C=CCCCC(=O)Nc1ccc(OCc2ccccc2)nc1 531120891 XBSZWPHXQGYKMR-UHFFFAOYSA-N 296.370 3.955 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@H]1CC12CCCCC2 532190518 XHBTVONNQUCJEF-CYBMUJFWSA-N 272.323 3.606 30 20 CHED C=CCCSc1nnc(-c2ccc(F)cc2)n1CC 532271066 PYWGZIBZOHGJBH-UHFFFAOYSA-N 277.368 3.772 30 20 CHED COc1ccc(CN2CCCC23CCCCC3)cc1C#N 533932590 ZKQDWGVUUKEHHL-UHFFFAOYSA-N 284.403 3.866 30 20 CHED C=CCN(C(=O)Cc1ccc(Cl)cc1Cl)C1CC1 537932590 OWFAEQQQDZDUQQ-UHFFFAOYSA-N 284.186 3.713 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 539370198 XDZREXHWAJSNEZ-QMTHXVAHSA-N 276.767 3.520 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc2ccsc2c1 540620879 FALYCCYBJCNTHZ-NSHDSACASA-N 274.389 3.771 30 20 CHED N#CCc1ccc(CN(C2CCCC2)C2CC2)cc1 543207897 LZYHMPXXAZOGIF-UHFFFAOYSA-N 254.377 3.660 30 20 CHED Cc1cscc1NC(=O)c1ccc(Cl)c(C#N)c1 543456291 DMRLKPXROUETNQ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N(C)c1cccc(C#N)c1 543468915 ISVIKKLLCUASGR-CYBMUJFWSA-N 272.392 3.983 30 20 CHED CCC1(CNc2ncc([N+](=O)[O-])cc2C#N)CCCCC1 545873693 JCALQERAHRDTRD-UHFFFAOYSA-N 288.351 3.634 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@](F)(c2ccccc2F)C1 549025236 GQCQWYDGBQOSDM-DLBZAZTESA-N 293.357 3.825 30 20 CHED CN(Cc1cc(Cl)ccc1Cl)CC(C)(C)C#N 552085227 UUMLOVMXXBAFEV-UHFFFAOYSA-N 271.191 3.975 30 20 CHED C=CCOc1cccc(NC(=O)N2CC(C3CCC3)C2)c1 554179165 JSDQLQOMVVGROP-UHFFFAOYSA-N 286.375 3.515 30 20 CHED CN(CC(C)(C)C#N)c1nc(-c2ccccc2F)cs1 555206914 AMRPMMBOKOQQMB-UHFFFAOYSA-N 289.379 3.935 30 20 CHED CN(Cc1ccc(C#N)cc1)[C@@H]1C=CCCCCC1 556105189 UBBVDANAQVQDCK-QGZVFWFLSA-N 254.377 3.879 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2CCCc2ccccc2)c1 557624302 CCNKGQZMWPRSFW-GOSISDBHSA-N 291.398 3.945 30 20 CHED N#Cc1cccc(CN2CC[C@](F)(c3ccccc3F)C2)c1 558865581 KDPUXZWJSQNFOT-GOSISDBHSA-N 298.336 3.768 30 20 CHED N#Cc1ccc(CN2CC3(CCC3)c3c(F)cccc32)nc1 563969537 YKKHRKMBDWLZAZ-UHFFFAOYSA-N 293.345 3.534 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cccc(Nc2ccccc2)c1 564369852 JUHBJIJZUUNBDV-SFHVURJKSA-N 293.370 3.852 30 20 CHED Cc1cc(C(=O)N[C@@H](C)CC#N)sc1-c1ccccc1 565606048 DSLZILDGSCXOIX-LBPRGKRZSA-N 284.384 3.756 30 20 CHED CCCc1csc(CN2CCC(CCC#N)CC2)n1 566247969 DUWQROWUVBJJCP-UHFFFAOYSA-N 277.437 3.611 30 20 CHED C=CCCC1(c2nc(-c3ccc4c(c3)CCO4)no2)CC1 568155316 MLIWFIFWJDOVQF-UHFFFAOYSA-N 282.343 3.669 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@H](C)c1cccs1 571961207 CHDJPYACHAQGTD-GFCCVEGCSA-N 290.436 3.846 30 20 CHED CC[C@@H](F)COc1c(Br)cccc1CC#N 572446774 GSXLOTYKMMOPFV-SNVBAGLBSA-N 286.144 3.642 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)C[C@H]1C 574962732 POARYENSZNWUDV-DZGCQCFKSA-N 296.418 3.674 30 20 CHED N#CC1(CNC(=O)c2cccc(Oc3ccccc3)c2)CC1 576928486 AHUXTSBSRPRKQR-UHFFFAOYSA-N 292.338 3.512 30 20 CHED Cc1ccc([C@@H]2CCN(Cc3ccc(C#N)cn3)C2)c(C)c1 579021659 FDDNICQECILMFO-QGZVFWFLSA-N 291.398 3.560 30 20 CHED CC1(C(=O)Nc2cnc(C#N)c(Cl)c2)CCCCC1 582891145 DWOUMEMXEPWQQG-UHFFFAOYSA-N 277.755 3.516 30 20 CHED N#Cc1c(CN2CCC3(CCC3)CC2)cn2ccccc12 586783105 YBANBFPNMLPFID-UHFFFAOYSA-N 279.387 3.577 30 20 CHED COc1cc(NC(=O)CCCCCC#N)c(C)cc1C 588166074 RZSYAIRBHFRYAI-UHFFFAOYSA-N 274.364 3.725 30 20 CHED O=C(/C=C\c1nccn1-c1ccccc1)c1sccc1O 588599264 VOLQWFZUCAZWIH-SREVYHEPSA-N 296.351 3.536 30 20 CHED C[C@]1(C#N)CCCN(Cc2cscc2C(F)(F)F)C1 589511603 YNNMIWRRBQYKFK-GFCCVEGCSA-N 288.338 3.893 30 20 CHED N#CCCCCCC(=O)Nc1c(F)cccc1NC1CC1 589839322 FIEMGLZAONHNAT-UHFFFAOYSA-N 289.354 3.813 30 20 CHED CCc1ccc([C@H](C)N=c2[nH]c(C#N)c(Cl)s2)cc1 590570097 USZMALUGCONOIV-VIFPVBQESA-N 291.807 3.826 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2C[C@H]2C2CCC2)c1 593677777 GJRBHEVLXUBABS-LSDHHAIUSA-N 295.386 3.507 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[C@H]1C 593968095 LVLUWERZTXWEHW-RKVPGOIHSA-N 298.430 3.679 30 20 CHED C[C@H](CC#N)NCc1oc2ccccc2c1Br 594613908 WSQXSQVYUHBSIY-SECBINFHSA-N 293.164 3.587 30 20 CHED CC[C@H](NCc1cccc(OCCCC#N)c1)C1CC1 594979985 NZXXSAVOTCWJLO-KRWDZBQOSA-N 272.392 3.647 30 20 CHED CCOc1cc(N[C@@H](C)c2ccc(C#N)cc2)c(F)cn1 596079693 WEMPAYCXCPLHNM-NSHDSACASA-N 285.322 3.664 30 20 CHED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 596619980 NDYWVNGTNMQFFU-UHFFFAOYSA-N 256.349 3.798 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)CC1(C#N)CCCCC1 597375610 PYKRBUIRHJMGIQ-ZIAGYGMSSA-N 262.397 3.545 30 20 CHED CCN(C(=O)C[C@@H](C)Cc1ccc(Cl)cc1)[C@@H](C)C#N 598359055 RIRCYIBEWGZIAP-STQMWFEESA-N 292.810 3.669 30 20 CHED CCC(C#N)(CC)C(=O)NCC1(C)CCCCCC1 599748721 YJOZMMMXAWTKNM-UHFFFAOYSA-N 264.413 3.793 30 20 CHED Cc1cc(C)c(C(=O)N(CCC#N)Cc2ccco2)s1 601024090 QVZVOIKBAGQVKM-UHFFFAOYSA-N 288.372 3.514 30 20 CHED C[C@@H](CCC#N)CN1CCn2cccc2[C@@H]1c1ccccc1 602442324 LYBQEQHESPEXAB-LPHOPBHVSA-N 293.414 3.833 30 20 CHED Cc1ccc(CNC[C@@H](C)CCC#N)cc1Br 602752224 WFKRRSVNXWWRSW-NSHDSACASA-N 295.224 3.787 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1ccc2nc(O)oc2c1 602991910 XEYQOROVZLPQFQ-NSHDSACASA-N 287.363 3.514 30 20 CHED N#Cc1ccc(CNC23CC(c4ccccc4)(C2)C3)cc1 603428329 IAESVUIRTKRCBE-UHFFFAOYSA-N 274.367 3.522 30 20 CHED Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2F)c(C)c1 608798317 PCRQFBQVDXMALY-UHFFFAOYSA-N 282.318 3.591 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 609920728 FCCPRMWOWKRHOI-KBPBESRZSA-N 294.354 3.816 30 20 CHED Cc1cc(C)cc(OCCCN(CC#N)C2CCCC2)c1 610012863 MKYZBASHCDGPKG-UHFFFAOYSA-N 286.419 3.841 30 20 CHED Cc1ccc(C#N)nc1N(C)Cc1ccccc1Cl 611399147 RGPNLAXBKODGFR-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1c(Cl)cccc1Cl 611497352 LIXMFRSLDLDFSV-VIFPVBQESA-N 285.174 3.661 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccccc1C#N 611554032 BUPBXLBRSQEWAQ-SMDDNHRTSA-N 282.309 3.721 30 20 CHED CC1(NC(=O)Nc2cccc(C#N)c2)CCC(F)(F)CC1 612034571 HCVGWKVDDNWCHO-UHFFFAOYSA-N 293.317 3.648 30 20 CHED CC(C)(C#N)CNCc1ccc(-c2ccccc2F)o1 612585192 RDDFXMXRRZLDER-UHFFFAOYSA-N 272.323 3.725 30 20 CHED C=CCSc1nc2ccc(C(F)(F)F)cc2[nH]1 614386684 UVSGCSQUNJWXEL-UHFFFAOYSA-N 258.268 3.860 30 20 CHED C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@](F)(C#N)C1 615646881 WXOZAKVIQAKCHH-NOZJJQNGSA-N 287.165 3.992 30 20 CHED C=C(C)[C@H](CC(=O)Nc1nccc2ccc(C)cc12)OCC 616818108 XJLWJPNYWHKUFL-INIZCTEOSA-N 298.386 3.853 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccn(C(C)C)c2C)C1 617779243 XOSNBISFUAMJFL-HNNXBMFYSA-N 274.408 3.806 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 619161916 YIHMVHCQVSIGRN-WCQYABFASA-N 263.768 3.524 30 20 CHED C=C[C@H](Nc1ccc(SC2CCCC2)cc1)C(=O)OC 619700357 UQQCFGZWHTYMSW-HNNXBMFYSA-N 291.416 3.861 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C(F)F)cc1F 653766806 UWTXIVPTKCGKQQ-NSHDSACASA-N 283.293 3.944 30 20 CHED C=CCC1(NCc2ccc(OC)c(Cl)c2)CCOCC1 657633801 XJFFCEJWGIIGPU-UHFFFAOYSA-N 295.810 3.564 30 20 CHED N#Cc1ccc(CCOc2ccc3c(c2)C(=O)CCC3)cc1 664030068 ZAHVTLMWVSJZIR-UHFFFAOYSA-N 291.350 3.699 30 20 CHED C=CCN(C(=O)Nc1ccccc1CCC)[C@H](C)COC 665454458 SDFPVHPTAZZQMS-CQSZACIVSA-N 290.407 3.694 30 20 CHED CCC#C[C@H](C)N[C@H](C)c1nc(C2CCCCC2)no1 680426388 KNHAXISKPQZMEG-QWHCGFSZSA-N 275.396 3.570 30 20 CHED C=CCCCCNC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 681162588 DSTDCTMKHNJPDA-RYUDHWBXSA-N 292.345 3.715 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CCOc2ccc(OCC)cc21 681400303 YNOVKVJUDGNUSX-CZUORRHYSA-N 275.392 3.853 30 20 CHED C=C(C)[C@H](NCc1oc(C)nc1C)c1ccc(F)c(F)c1 685573317 HVRGOQUMQBWCJB-INIZCTEOSA-N 292.329 3.977 30 20 CHED N#CCc1ccc(CN2CC[C@@H](C3CCCC3)C2)cc1 708832583 PCDNQTBHLRGBIG-GOSISDBHSA-N 268.404 3.765 30 20 CHED COC(=O)c1ccc(/C=C2/CCc3sccc3C2=O)cc1 726891260 HQNUQZFSSFNOLC-RAXLEYEMSA-N 298.363 3.747 30 20 CHED C[C@@H](C#N)Oc1ccc(C=NN[C@H](C)c2ccccc2)cc1 727684611 JYVFTHJGRJUDJY-LSDHHAIUSA-N 293.370 3.662 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2sccc2CC)c1 728480298 LPFSTPFIUBZTEL-UHFFFAOYSA-N 283.396 3.959 30 20 CHED Cc1ccc(F)c(C(=O)OCc2ccc(F)cc2C#N)c1 728628961 FHXKBBWFSXCUJT-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)nc1 728811384 WDWHBXYFKZPPPW-GFCCVEGCSA-N 298.773 3.550 30 20 CHED CC(Cc1cccs1)=NNc1cccc(C#N)c1 729635157 FRKOLNRJEDSUSN-UHFFFAOYSA-N 255.346 3.650 30 20 CHED c1ccc2c(=NN=C3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)cc[nH]c2c1 730148352 RFTJFAUJHNDDFV-KQTLUZQSSA-N 291.398 3.881 30 20 CHED C[C@H](OC(=O)c1ccc2[nH]ccc2c1)c1cccc(C#N)c1 730923786 CMIHRSSUQQDUJZ-LBPRGKRZSA-N 290.322 3.958 30 20 CHED N#CCOc1ccc(CN2CCCc3cccc(F)c32)cc1 731210513 OUEVUHVZXCCYNC-UHFFFAOYSA-N 296.345 3.681 30 20 CHED Cc1ccc(/C=C2/Cc3ccccc3C2=O)cc1F 731488537 JLUZCWZIHLCTMX-ZSOIEALJSA-N 252.288 3.957 30 20 CHED C#CCOc1ccccc1CNC(=O)C[C@@H]1CCC[C@H](C)C1 734104175 HBZVWGHAAZRKEA-JKSUJKDBSA-N 299.414 3.531 30 20 CHED C[C@@H](CCc1cccc(F)c1)NCc1ccc(C#N)cc1 734510077 QEIHCERBIKPLOZ-AWEZNQCLSA-N 282.362 3.808 30 20 CHED C=CCCCOC(=O)CCc1c(C)nn(CC(C)C)c1C 735528310 PNJYORPDCPKQSP-UHFFFAOYSA-N 292.423 3.598 30 20 CHED C=CCCOC(=O)c1c[nH]c2ccc(Br)cc12 740204252 MPFUMXCJPNJOOS-UHFFFAOYSA-N 294.148 3.663 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc(C)c(C)c2)n1 741765896 KXVFWIVBXHYISE-UHFFFAOYSA-N 274.755 3.501 30 20 CHED COc1ccc(/C=C\C(=O)c2sccc2C)cc1C#N 741842059 QZYKSZIBZJSPAH-HYXAFXHYSA-N 283.352 3.833 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C2/Oc3ccccc3C2=O)cc1 742436181 IWZNGNRSEHIDLI-YXHQGMJNSA-N 291.306 3.594 30 20 CHED CC(=NN=Cc1cc(Cl)cc(Cl)c1)c1cnccn1 745208042 AJFWCYGZYNPJEG-UHFFFAOYSA-N 293.157 3.627 30 20 CHED COc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c(C)c1 748680334 CJPLJXFJTNGBRT-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)cc2C)cc1F 748933977 GEDSLYMKKUCBEX-UHFFFAOYSA-N 283.302 3.671 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(Cl)nc2)c1 748993604 AUFKWXKJYXFACN-FNORWQNLSA-N 273.719 3.640 30 20 CHED C=C(Cl)CN1CCc2sc(Br)cc2C1 749467291 XPLQAZDSQZUOHL-UHFFFAOYSA-N 292.629 3.621 30 20 CHED Cc1ncsc1/C=C1\Cc2c(F)ccc(F)c2C1=O 749589113 HRVKJQCEFQPXBT-VMPITWQZSA-N 277.295 3.552 30 20 CHED N#CC1(C(=O)OCCCCC(F)(F)F)CCCCC1 751686790 HLZBADXECGFDMI-UHFFFAOYSA-N 277.286 3.736 30 20 CHED N#Cc1csc(C(=O)Oc2cc(Cl)ccc2F)c1 752184990 RVLKEQQUTCWTSW-UHFFFAOYSA-N 281.695 3.631 30 20 CHED CCCC(CCC)=NNc1nc(O)c2ccccc2n1 757590956 UAZUGNDEOCZOQT-UHFFFAOYSA-N 272.352 3.704 30 20 CHED CCCC(=NNC1CCOCC1)c1ccc(Cl)cc1 757599161 RSXBEFPLYDRNAN-UHFFFAOYSA-N 280.799 3.613 30 20 CHED CCc1nc2ccccc2n1N=Cc1nc(Cl)cs1 758099217 ZUNIXNOHEKEKDK-UHFFFAOYSA-N 290.779 3.591 30 20 CHED COc1cccc(NC(=S)NN=C(C)CC2CCC2)c1 758366829 JUZHZEJJBULPPB-UHFFFAOYSA-N 291.420 3.548 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C[C@H](O)CC)c1 760834013 DRJBBCQUGCGOLI-MRXNPFEDSA-N 285.412 3.507 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H]2C[C@H]3CC[C@H]2C3)o1 762428254 YEPINNAYOPFRLQ-SDDRHHMPSA-N 272.352 3.504 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H]2COc3ccc(C)cc32)c1 763097017 MTFSWITYDXKLPW-MWJIIQFGSA-N 297.354 3.652 30 20 CHED COc1ccsc1/C=C/C(=O)c1cc(F)ccc1F 764432119 IJNYUOLGHNUAGI-SNAWJCMRSA-N 280.295 3.931 30 20 CHED C[C@H](OC(=O)[C@H](C)C(C)(C)C)c1cccc(C#N)c1 764611506 CJKJFJOTBBHMAJ-RYUDHWBXSA-N 259.349 3.845 30 20 CHED C[C@H](OC(=O)C1(C)CCCC1)c1cccc(C#N)c1 764616143 ZNODAIOUPHDTCS-LBPRGKRZSA-N 257.333 3.743 30 20 CHED CCO[C@H](C(=O)Oc1ccc(C#N)c(C)c1)c1ccccc1 765094604 MWSDAGYHNROARY-KRWDZBQOSA-N 295.338 3.550 30 20 CHED N#Cc1ccccc1COC(=O)[C@H](c1ccccc1)C1CC1 765932826 QMWOYVIRHXQANN-GOSISDBHSA-N 291.350 3.795 30 20 CHED CC(=NNc1ccccn1)c1cc(Cl)c(Cl)cc1O 765995481 VAKFBYJBODPYCX-UHFFFAOYSA-N 296.157 3.930 30 20 CHED Cc1cc(/C=C2/COc3c(C)cccc3C2=O)ccc1C#N 766492858 YSYWOCUCYHAOHX-SXGWCWSVSA-N 289.334 3.834 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 766572040 LOKKUBPWTQVSSB-HUUCEWRRSA-N 258.409 3.902 30 20 CHED CC1CC(C#N)(C(=O)OCc2ccc(Cl)cc2Cl)C1 767424562 LDLDIOWDISBGAF-UHFFFAOYSA-N 298.169 3.976 30 20 CHED Cc1ccc2oc(C(=O)OCC3(C#N)CCC3)cc2c1 768099101 MCDONJFAKRIBHW-UHFFFAOYSA-N 269.300 3.592 30 20 CHED CCCCCCOc1ccc(CN(CC)CC#N)cc1 768999686 ONYLDSIXHOWYGQ-UHFFFAOYSA-N 274.408 3.991 30 20 CHED CC(=NNCC(F)(F)F)c1oc2ccccc2c1C 769811031 VIEZIQIDFIZSBV-UHFFFAOYSA-N 270.254 3.617 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(Br)c(Cl)c1 769962282 DUSUAYHMKNSAHN-VIFPVBQESA-N 286.600 3.556 30 20 CHED CCC1(O)CCC(/N=C\c2cc(Cl)ccc2O)CC1 771521181 REUPUSHJUACIOP-YVLHZVERSA-N 281.783 3.548 30 20 CHED Cc1nc(C)c2c(C)c(C=NOC3CCCC3)sc2n1 774608373 KYLBFFGTUAULBJ-UHFFFAOYSA-N 289.404 3.910 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@H](O)C1 775525938 SEWUPCOXAHCITG-HOTGVXAUSA-N 283.456 3.747 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)OCC1(CC#N)CC1 776094028 LBXBMZPVJBAFAF-HNNXBMFYSA-N 285.387 3.882 30 20 CHED C#CC[C@@H](NC(=O)N1CCCC[C@H](C)C1)c1ccccc1 776169513 KQIJDMVEYWQJAI-DOTOQJQBSA-N 284.403 3.583 30 20 CHED N#C[C@H](OC(=O)c1c(F)cc(F)cc1F)C1CCCCC1 776389117 IIFMBORWWMWVJR-ZDUSSCGKSA-N 297.276 3.733 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1cccnc1C 776786521 XCAMAWCBHALAOM-UHFFFAOYSA-N 276.343 3.693 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)C1CCOCC1 777448479 PFQHKODOUZBANK-GOSISDBHSA-N 288.435 3.646 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=Cc1ccc(C#N)cc1 777449493 WIEMBZKSWVMOIS-IBGZPJMESA-N 291.398 3.749 30 20 CHED O=[N+]([O-])c1ccc2[nH]cc(C=NOC3CCCCC3)c2c1 777457394 SNSVSMVIPDPECK-UHFFFAOYSA-N 287.319 3.759 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNc1ccnc(F)c1 781128195 SPVZKMKPWAKZKI-UHFFFAOYSA-N 277.730 3.937 30 20 CHED Fc1ccc(F)c(CNN=Cc2cc(Cl)cs2)c1 782204438 AONJNHONXTWXBH-UHFFFAOYSA-N 286.734 3.803 30 20 CHED Fc1cccc(Cl)c1NN=C[C@@H]1CCSC1 782272871 XPKYRKBZDGNOOM-QMMMGPOBSA-N 258.749 3.630 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccccc1SC 782442596 PLEHDBKIIJTLAH-MRXNPFEDSA-N 294.416 3.681 30 20 CHED C#CCCCCCC(=O)NCc1cccc(CSC)c1 782714355 SDTIYPKROYSCPW-UHFFFAOYSA-N 289.444 3.750 30 20 CHED CC(=NNCCC(C)(C)C)c1sc(C)nc1C 782906700 CTOKFQXPEQRJKS-UHFFFAOYSA-N 253.415 3.510 30 20 CHED C#CCCCN[C@H]1CCCc2c(Br)cccc21 783518573 QDKNNVASGGKJFY-HNNXBMFYSA-N 292.220 3.830 30 20 CHED Cc1cc(C=NNc2cccc(C#N)c2)cc2cccnc12 783820338 CROXQKKJLXAQSJ-UHFFFAOYSA-N 286.338 3.861 30 20 CHED Cn1c(NN=C2CCC(C)(C)C2)nc2ccccc21 783827280 MPJWRLYBAOBRNO-UHFFFAOYSA-N 256.353 3.551 30 20 CHED COc1ccc(NN=C[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 783856740 JJEIWSLNPYOQIE-NEPJUHHUSA-N 291.351 3.827 30 20 CHED CC(C)(C#N)CCCOC(=O)c1c(Cl)ccc(F)c1N 784066417 MZNMJFSFPPWKIW-UHFFFAOYSA-N 298.745 3.548 30 20 CHED C#CCCCNC(=O)Nc1ccc(-c2ccco2)cc1F 786489059 SZXWTTZTOYHPEL-UHFFFAOYSA-N 286.306 3.621 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NNc1ccc(F)cn1 788713921 LUTPKWLFFPPGJP-UHFFFAOYSA-N 299.349 3.727 30 20 CHED C=CCN(C(=O)Nc1ccc(-n2cccn2)cc1C)C(C)C 789332759 YTQKPPLONKRMMX-UHFFFAOYSA-N 298.390 3.609 30 20 CHED Cc1cccc(C)c1OC(=O)c1ccc(F)c(C#N)c1 790085606 TUELEFTWNDWXLZ-UHFFFAOYSA-N 269.275 3.533 30 20 CHED COC1(C=NNc2nc3ccccc3cc2C)CCCC1 790171479 XEHXVBWFUWBLBB-UHFFFAOYSA-N 283.375 3.900 30 20 CHED CC[C@@H](C)NN=Cc1csc(-c2cccs2)n1 790186899 CPJIUWVGDZLSAM-SECBINFHSA-N 265.407 3.594 30 20 CHED C#CCCCCNC(=O)N(C)C1CCC(CCC)CC1 790425859 UAKGYBFNTYENQO-UHFFFAOYSA-N 278.440 3.790 30 20 CHED C#C[C@H](CCC)NC(=O)c1sc2ccc(F)cc2c1C 791739569 GJHVSIHAEJPMOG-GFCCVEGCSA-N 289.375 3.881 30 20 CHED N#Cc1cccc(NC(=O)c2cc(C3CC3)cnc2Cl)c1 792780743 RBRBFXFWFCBAJJ-UHFFFAOYSA-N 297.745 3.736 30 20 CHED CC(=NNc1ncncc1F)c1ccc(Cl)cc1Cl 793225753 KZSKOCZWCNQLGK-UHFFFAOYSA-N 299.136 3.759 30 20 CHED CC(C)[C@@H](NCCCC(C)(C)C#N)[C@H](O)c1ccccc1 794601943 VHESJBFNGJJPAB-IAGOWNOFSA-N 288.435 3.664 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccnn1C(C)C)C2 794943609 ZAUCNQWEVWDLFF-UVTDQMKNSA-N 266.344 3.595 30 20 CHED O=C1/C(=C/c2ccccc2[N+](=O)[O-])CCc2ccc(O)cc21 794960415 RPNUIJYWEIOWNV-UKTHLTGXSA-N 295.294 3.513 30 20 CHED C#CCCCN1CC=C(c2cccc(Cl)c2)CC1 796456810 CXMOXAPJYCVOEV-UHFFFAOYSA-N 259.780 3.843 30 20 CHED CC(C)[C@H](F)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567539 JULFGVYYSVOKEA-ONGXEEELSA-N 282.384 3.611 30 20 CHED Cc1oc(C#N)cc1C(=O)OCCCCc1ccccc1 797885481 WYYUNTUSLLGIQM-UHFFFAOYSA-N 283.327 3.639 30 20 CHED Cc1ccc(-c2cccc(C=NNCC(C)(C)CO)c2)cc1 799115544 ZKUBTEJKNJXLPW-UHFFFAOYSA-N 296.414 3.604 30 20 CHED COc1ccccc1CON=C(C)c1ccc(C)c(C)c1O 799117399 KTSNTXWNOMAZOI-UHFFFAOYSA-N 299.370 3.958 30 20 CHED COc1ccccc1CON=C1CCCOc2ccccc21 799118886 ZGDAMSPVUOBQOJ-UHFFFAOYSA-N 297.354 3.789 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@H](C)c1ccc(C)o1 799442242 BXXDMMUYVJNHJN-LBPRGKRZSA-N 283.327 3.731 30 20 CHED COc1ccc(O)c(/C=N/C[C@H]2CCCC(F)(F)C2)c1 800721845 SXGQGIQLUGUVND-HPAYWCODSA-N 283.318 3.645 30 20 CHED CO[C@@H](CSCCO[C@H](C)C#N)c1ccc(Cl)cc1 802752940 ZAKQOAAEKUQPFD-RISCZKNCSA-N 299.823 3.689 30 20 CHED C=CCCCCCCNC(=O)c1sccc1OC 805217432 BUZHVOVIAYGVQL-UHFFFAOYSA-N 267.394 3.623 30 20 CHED CN(C)c1ccc(NC(=O)CCCCCC#N)cc1Cl 806535215 NVHOMRNFYQDELF-UHFFFAOYSA-N 293.798 3.819 30 20 CHED CC(=NN[C@H]1CCSC1)c1cccc(C(F)(F)F)c1 808004248 JONJIBMILPHABF-LBPRGKRZSA-N 288.338 3.525 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1F)C(C)(C)C 808315910 NSSRGNCCBFUUKD-WFASDCNBSA-N 290.382 3.576 30 20 CHED C#Cc1ccc(CN(C)[C@@H]2CC[C@@H](SCC)C2)cc1 809592556 OYVOPFXHXVIZJI-IAGOWNOFSA-N 273.445 3.774 30 20 CHED C#Cc1ccc(CN[C@@H](C)Cc2ccc(C)s2)cc1 809621490 GZBZQZSTMPXIKX-ZDUSSCGKSA-N 269.413 3.759 30 20 CHED C#Cc1ccc(CN2CCC(Cc3cccnc3)CC2)cc1 809634954 AMDSDMCOJXVSLR-UHFFFAOYSA-N 290.410 3.518 30 20 CHED C#C[C@@H](NCc1cnc(-c2ccco2)s1)C(C)(C)C 809781201 JDUQVVPXAOXIDA-CYBMUJFWSA-N 274.389 3.541 30 20 CHED C=CCCCCOC(=O)[C@@H]1CCc2ccc(OC)cc21 811011652 GUOLOYFOOXACMZ-OAHLLOKOSA-N 274.360 3.625 30 20 CHED C#C[C@@H](NCc1ccc(COC)cc1)c1ccc(Cl)cc1 811516513 NZJOEJMXFQHWNC-GOSISDBHSA-N 299.801 3.951 30 20 CHED C=CCCCCCCCNC(=O)N(C)Cc1cccnc1 811927456 QWOIYJLQJUWWGF-UHFFFAOYSA-N 289.423 3.750 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccccc2C(=O)O)o1 812446214 SFLYTVXMWAJFIH-MFKMUULPSA-N 284.315 3.547 30 20 CHED CCc1ccc(C#CC(=O)Nc2ccc(C)cc2OC)cc1 814585720 VGWMXLXAUINAHD-UHFFFAOYSA-N 293.366 3.556 30 20 CHED COCCC(C)=NNc1cccc(C(F)(F)F)c1 814689632 BTCBSQHJKQANAJ-UHFFFAOYSA-N 260.259 3.530 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cc(N)ccc1F 814697172 BKRJVIDOCCMNSY-UHFFFAOYSA-N 294.333 3.792 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1ccc(Cl)cc1 814767609 NCANCFYSLCIUAX-VIFPVBQESA-N 273.710 3.729 30 20 CHED O=C(Oc1cccc(C(F)(F)F)c1)[C@H](F)C(F)(F)F 814813391 YZCHCEIBKQVGBB-ZETCQYMHSA-N 290.134 3.511 30 20 CHED CC(Cc1ccc(O)cc1)=NNc1cccc([N+](=O)[O-])c1C 814834145 QPOTWRALNUWJSU-UHFFFAOYSA-N 299.330 3.639 30 20 CHED CC(C)CON=Cc1ccc2ccc(F)c(F)c2n1 814883843 CZZLGKHKXWITQE-UHFFFAOYSA-N 264.275 3.520 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C)c(OC(F)F)c1 815622431 VDVZBCOLZVMHEE-UHFFFAOYSA-N 291.244 3.746 30 20 CHED Cc1cc(Cl)cc(C#N)c1OC(=O)OCC(F)(F)F 817154956 AFVXGLSRRZNHMN-UHFFFAOYSA-N 293.628 3.598 30 20 CHED Cc1ccc(C)c(NN=Cc2cncn2C(C)C)c1 819804413 CVQHIYNYMHUWCF-UHFFFAOYSA-N 256.353 3.527 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@]2(C)CC2(Cl)Cl)c1 823089456 ZUTWJKNUUSRHTE-CQSZACIVSA-N 296.197 3.605 30 20 CHED CCCNc1ccc(Cl)cc1NC(=O)C#CC(C)C 830315850 VOSVHNBXSXXTJW-UHFFFAOYSA-N 278.783 3.760 30 20 CHED C=CCC[C@@H](NCc1occc1C(=O)O)c1ccccc1 833373030 DKSMOTVNFKLLFG-OAHLLOKOSA-N 285.343 3.775 30 20 CHED C[C@@H]1C/C(=C\c2cnn(C)c2Cl)C(=O)c2ccccc21 834429979 BTVWVPVULFILHW-MXBGMFSPSA-N 286.762 3.847 30 20 CHED C#Cc1cccc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)c1 834904001 UQDQLFWANSVLDV-WBMJQRKESA-N 295.357 3.851 30 20 CHED C#CC[C@@H](OC(=O)[C@@H](CC)CC(F)(F)F)C(C)C 835200514 LRPYSBRPCMIOOB-WDEREUQCSA-N 264.287 3.556 30 20 CHED Cc1ccc(C(=O)OCC(C)(C)CCC#N)c(C2CC2)n1 835387053 PYOVQCXZOMLOPY-UHFFFAOYSA-N 286.375 3.754 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@]2(C)CC2(Cl)Cl)c1 837141169 GYYZCQBAVMDUDT-CYBMUJFWSA-N 297.185 3.779 30 20 CHED CCCCCCCCCNC(=O)NCc1cnc(C)o1 837388171 PSUNNMLQGOXZPH-UHFFFAOYSA-N 281.400 3.533 30 20 CHED N#CCc1ccccc1C(=O)OC[C@@H]1CCCCC1(F)F 837402650 MPNHFEFPKXIZRZ-ZDUSSCGKSA-N 293.313 3.735 30 20 CHED C=CCOCCCC(=O)O[C@H](CC)c1ccnc(Cl)c1 838918987 YULJVCCIEQLDNO-CYBMUJFWSA-N 297.782 3.712 30 20 CHED C[C@@H](CO)N(C)N=C(CC(C)(C)C)c1ccc(Cl)cc1 842539859 FLJURVNBCGDGLR-LBPRGKRZSA-N 296.842 3.793 30 20 CHED N#Cc1ccnc(SCC[C@H]2CC2(Cl)Cl)c1 842544448 SZVGLCRJYPGCAX-VIFPVBQESA-N 273.188 3.629 30 20 CHED C#CC1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 843426722 IBFDMTYKFPBTBO-UHFFFAOYSA-N 299.805 3.575 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(OC2CCCC2)cc1 844500006 BXTWMUHJKUPICK-GFCCVEGCSA-N 290.363 3.636 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1cnc2n1[C@@H](C)CCC2 845285992 LBJSNBAVSYKJPG-QWHCGFSZSA-N 276.380 3.682 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@@H]2C[C@H]2CC(C)(C)C)cc1 846025824 MHUINUKPRQEHQV-UKPHBRMFSA-N 286.419 3.892 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@H]1CCC[C@@H](C#N)C1 851083422 JDUNCXOJUCFJIV-DYEKYZERSA-N 255.333 3.530 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCc2ccccc2C1 851204662 BYOSEWBMSKTSFC-BBRMVZONSA-N 285.387 3.663 30 20 CHED Cc1cc(C)cc(C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851214743 WFQURTRMLLLGEL-ZDUSSCGKSA-N 259.349 3.789 30 20 CHED C#C[C@@](C)(CC)NCc1coc(-c2c(F)cccc2F)n1 852102455 YRUCOGGZFNYGNB-INIZCTEOSA-N 290.313 3.511 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc(Cl)nc2)C1 852410683 PIHVNWQOOLYANX-LBPRGKRZSA-N 250.773 3.523 30 20 CHED CC(CC(C)(C)C#N)=NNc1ncccc1C(F)(F)F 853288430 BIMXWEQHHMXBCC-UHFFFAOYSA-N 284.285 3.828 30 20 CHED CCC(Cc1ccc(Cl)cc1)=NOC1CCOCC1 853334777 RAOOYEHQDMXXTB-UHFFFAOYSA-N 281.783 3.844 30 20 CHED CC(C)c1cccc(CSCCO[C@H](C)C#N)c1 853773441 DKWYZAFHSJHUJV-CYBMUJFWSA-N 263.406 3.972 30 20 CHED C=C(Cl)CSCC(=O)N1CCC[C@@H]2CCCC[C@H]21 853783572 MCOAKPIZLOVKCX-QWHCGFSZSA-N 287.856 3.653 30 20 CHED C#CC[C@H](NC(=O)NC(C)(C)CCC=C)c1ccccc1 853910137 HYDRPHJMJDJUBE-INIZCTEOSA-N 284.403 3.795 30 20 CHED CCC[C@H](C)c1noc(CC2(C#N)CCCCC2)n1 854026472 DDYULLGYBYXFHQ-LBPRGKRZSA-N 261.369 3.990 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1cc(C#N)ccc1F 854376053 LCFVTWDDXGBHKF-GFCCVEGCSA-N 288.366 3.738 30 20 CHED Cc1cc(NC(=O)C#CC(C)C)ccc1C(F)(F)F 854513823 PHZKVNPZXZJNIO-UHFFFAOYSA-N 269.266 3.612 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc(C#N)o1 855214212 JIXPQMFQNQREFV-OAHLLOKOSA-N 294.354 3.745 30 20 CHED CCCCCCCCC(=O)N(C1CC1)[C@@H](C)C#N 855583682 GXQDYMXNKJHFPD-ZDUSSCGKSA-N 250.386 3.640 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@H](O)c1ccc(Cl)cc1 856374146 PTQSPAGPSIRSPE-AWEZNQCLSA-N 295.810 3.625 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H](CCC)c1ccc(Cl)cc1 857612856 FBZZRZGANIPDAS-SWLSCSKDSA-N 277.795 3.704 30 20 CHED C#CCCOC(=O)N[C@H](CC)c1ccc(Cl)cc1 858888023 DCLUVKDPMVCRIT-CYBMUJFWSA-N 265.740 3.541 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCCC(F)(F)C1 862357443 VDNUHPNHSSBLKN-GFCCVEGCSA-N 261.356 3.899 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H]2CC=CC[C@H]2C1 871089539 SEQXXJXQXXTTQW-IYBDPMFKSA-N 298.434 3.524 30 20 CHED N#Cc1cc(NC(=O)/C=C\C2CCCC2)c(F)cc1F 876348834 RQPYWPVUZRKCKW-WAYWQWQTSA-N 276.286 3.521 30 20 CHED CC[C@@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 877927614 CMKJVOCGPROCDD-IEBWSBKVSA-N 298.430 3.549 30 20 CHED Cc1coc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 879029621 UGPHXXKANDMDEV-HOTGVXAUSA-N 294.354 3.500 30 20 CHED N#CC1(C(=O)Nc2cc(F)c(O)cc2Cl)CCCCC1 885674795 VSZUHNABCBOFIH-UHFFFAOYSA-N 296.729 3.597 30 20 CHED N#CCN(C(=O)CCCCc1ccccc1)C1CCCC1 889085138 DSVAKDLRHUYYRF-UHFFFAOYSA-N 284.403 3.694 30 20 CHED CSC1(CNC(=O)CCCCCC#N)CCCCC1 894563337 NRHJNZBIQNRQIW-UHFFFAOYSA-N 282.453 3.643 30 20 CHED N#CC1(CCCC[S@@](=O)c2cc(F)ccc2F)CCC1 899276107 ITMYPQSDRGCDFW-HXUWFJFHSA-N 297.370 3.937 30 20 CHED Cc1c(C(=O)/C=C/c2cnn(C3CCC3)c2)cnn1C(C)C 899369332 VHLYXDZBCMXOAE-BQYQJAHWSA-N 298.390 3.590 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cncn1C(C)C 901443211 MMQYCIPVOHGRKL-SREVYHEPSA-N 284.359 3.677 30 20 CHED Cc1cccc(C(=O)/C=C\c2nc(C)c(C)[nH]2)c1C 901476114 DAQYUPMOVQQDQV-HJWRWDBZSA-N 254.333 3.539 30 20 CHED O=C(/C=C\c1ccccc1OC1CCCC1)c1ncco1 901520591 XFEHRQHXSJTJPI-KTKRTIGZSA-N 283.327 3.892 30 20 CHED CCc1noc(C)c1CN[C@H](CC)c1cccc(C#N)c1 903000455 JXNFOTKDOYTVDC-MRXNPFEDSA-N 283.375 3.658 30 20 CHED CC1(C)C[C@@H](NCC2(C#N)CCC2)c2cc([N+](=O)[O-])ccc21 903033743 YNVLHZONGCMAGM-OAHLLOKOSA-N 299.374 3.601 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2c(C)nsc2C)no1 904079560 INYNVKYIIAOGLH-JTQLQIEISA-N 263.366 3.565 30 20 CHED C=CCCC[C@@H](N)c1nc([C@@H](C)c2cccs2)no1 904617315 TZUYNUPLYYXTHL-WDEREUQCSA-N 277.393 3.639 30 20 CHED C=C(C)c1ncc(-c2ccc(OC3CC3)cc2)cn1 906181234 GXGRUUFMYCUYIM-UHFFFAOYSA-N 252.317 3.718 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)O)c(C)cc1C 909513754 UAPZVSSTNYEUDS-UHFFFAOYSA-N 275.348 3.542 30 20 CHED CC(C)CN(C(=O)/C=C/c1ccccc1C#N)C1CCCC1 914516809 DVKGCPRAWNJQQE-VAWYXSNFSA-N 296.414 3.999 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 916249470 QJPGYNLRFUTKLJ-UHFFFAOYSA-N 273.267 3.570 30 20 CHED Clc1cccnc1NN=Cc1cccc2cccnc12 917545989 DQTOUSMAELYAHO-UHFFFAOYSA-N 282.734 3.729 30 20 CHED O=C(NO)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 917609950 ISCCLOKOCNMDCQ-UHFFFAOYSA-N 288.155 3.841 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1ccccn1 918318854 WFVYUMOHRAXDTH-UHFFFAOYSA-N 291.439 3.974 30 20 CHED N#CC1(c2nc(-c3cc4ccccc4[nH]3)no2)CCCCC1 924426257 YGTVNBWQUMUIJQ-UHFFFAOYSA-N 292.342 3.943 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc(OC(C)(C)C)nc1 926112162 NIAHVPANYKUTSS-ZDUSSCGKSA-N 289.423 3.677 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2cccc(F)c2)C1 926342048 INPHONAPSIYCOU-NOLJZWGESA-N 274.383 3.990 30 20 CHED Cc1oc2ccccc2c1[C@H](C)NCC1(C#N)CC1 926873245 DMLOWLXMXWWQFM-NSHDSACASA-N 254.333 3.696 30 20 CHED CC[C@@H](NCc1cccc2c1OCC2)c1ccc(C#N)cc1 927089886 GVMQDWOJRLUPLT-GOSISDBHSA-N 292.382 3.734 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2OCCC)CC1 929306826 SLRVOYPRWFGOIH-UHFFFAOYSA-N 274.364 3.659 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(CC1CCC1)C(C)C 935673014 LHIGKJYCYGRBCQ-UHFFFAOYSA-N 270.376 3.517 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1ccc(Cl)c(F)c1 1116429447 PIIAASQLNBPHJT-SECBINFHSA-N 275.714 3.919 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(-c2cccs2)s1 1116535601 GINHRSHKSCRJJH-JTQLQIEISA-N 290.413 3.899 30 20 CHED CC(C)(C)c1nnc(-c2cc(-c3cccc(C#N)c3)no2)o1 1118137311 DEVHTQINELGMRV-UHFFFAOYSA-N 294.314 3.561 30 20 CHED Cc1ccc(SCc2nnc(CC(C)(C)C#N)o2)cc1 1118426717 WQNZHRVVZGBTEF-UHFFFAOYSA-N 287.388 3.763 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NC[C@@H]1CCC(F)(F)C1 1121926319 LGPROCQCBQAATG-OLZOCXBDSA-N 286.366 3.562 30 20 CHED C=CC[C@@H](C(=O)OCc1cc(C2CC2)no1)c1ccccc1 1123094740 RUPZRDPQFXTKAN-MRXNPFEDSA-N 297.354 3.955 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)c1cc(C)ccc1C 1125284256 QEOSSRVFIBZPFR-UHFFFAOYSA-N 296.345 3.981 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2ccsc2Cl)n1 1131018154 DVPSLMIZDRJOGJ-UHFFFAOYSA-N 291.763 3.537 30 20 CHED Cc1csc(NC(=O)NCCC(C)(C)C2CC2)c1C#N 1204888127 ARJRSTVYLWOVFK-UHFFFAOYSA-N 291.420 3.876 30 20 CHED CC(C)CC[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C(C)(C)C 1227872419 OJGXRIYLNBRBAX-ZNMIVQPWSA-N 293.455 3.829 30 20 CHED Cc1cc(C#N)nc(-c2cccc(Cl)c2Cl)n1 1245101719 RBBVQKXJQAEABY-UHFFFAOYSA-N 264.115 3.631 30 20 CHED CC(C)[C@H](F)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1273423316 NFHBYBYXKMSGLP-AWEZNQCLSA-N 292.354 3.668 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1nccc2ccccc12 1308624815 CNBTZVKVUWWYDE-ZIAGYGMSSA-N 267.376 3.777 30 20 CHED CC(C)(C)c1ccc(NN=C2CC3(CCC3)C2)nn1 1319934496 PKLAYUPWZOFLDK-UHFFFAOYSA-N 258.369 3.506 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1cc(C)oc1C 1322975083 KODAOBWXNPZKRN-UHFFFAOYSA-N 286.379 3.820 30 20 CHED C=CC[C@H](CC)NC(=O)N1Cc2ccccc2C2(CCC2)C1 1324474860 ICUHQDUYFVIFQG-INIZCTEOSA-N 298.430 3.988 30 20 CHED Cc1ccncc1[C@H](C)NC1CC(C#N)(c2ccccc2)C1 1326056284 SZDJKBSQDWSATO-DMKPSLHHSA-N 291.398 3.665 30 20 CHED C#CCCOC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1331556379 VADFXJRBTJXRMQ-CQSZACIVSA-N 277.339 3.662 30 20 CHED C=C[C@H](C)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1332226834 VTIVAPDLFLUEAC-WBSSQXGSSA-N 270.159 3.697 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 1341998554 XMSVPEIXLHIBOI-UHFFFAOYSA-N 297.354 3.624 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(F)cc1F 1345755060 LLSMBZWRZDJKSD-LBPRGKRZSA-N 280.318 3.927 30 20 CHED C=C(CC)C(=O)Nc1ccc2c(cnn2C(C)C)c1 1346448121 PPPOAMVCBXEUQM-UHFFFAOYSA-N 257.337 3.522 30 20 CHED N#CC[C@@H](OC(=O)C1CCC2(CC1)CC2)c1ccco1 1350310923 CLKSNVYRYNCDFH-CQSZACIVSA-N 273.332 3.748 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 1351156875 HJXYRQDJZCDLTA-ZIAGYGMSSA-N 287.407 3.880 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1csc(C#N)c1 1352772351 ITRVJTWQYYHBAE-ZIAGYGMSSA-N 290.432 3.954 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1ccsc1Cl 1357995431 IPWKFYMYOZSJQY-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)c2ccc(C#N)cc2F)C1 1435530749 MRIKTGGYFJMMGB-CQSZACIVSA-N 288.366 3.596 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)Nc1cccc(CC#N)c1 1436284463 FNVBSJUPAFNBFT-CYBMUJFWSA-N 296.345 3.709 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc3occc3c2)c1 1438491050 ZJBFMZLDXDVWGE-UHFFFAOYSA-N 262.268 3.557 30 20 CHED Cc1cc(N2CCc3c(cccc3C(C)C)C2)ncc1C#N 1458352100 BJNUKHVMYUGGIY-UHFFFAOYSA-N 291.398 3.948 30 20 CHED C=C(CNc1nc(Cl)cs1)c1ccccc1 1458411631 DTQBIUTYWIGBQX-UHFFFAOYSA-N 250.754 3.922 30 20 CHED N#CC1(CC(=O)NCC2CCCCCC2)CCCCC1 1460105282 LRVIGHGDWHEYPK-UHFFFAOYSA-N 276.424 3.937 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CCC[C@@H](c3ccccc3)C2)n1 1472777277 RXXRJVRQYIJYBK-CVEARBPZSA-N 292.386 3.795 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1cccc(CC#N)c1 1474529105 GLXAQACHLFUPME-CVEARBPZSA-N 272.392 3.758 30 20 CHED C#Cc1ccc(COC(=O)[C@H]2CSc3ccccc32)cc1 1514726062 SHWKCGLXPVFWGC-INIZCTEOSA-N 294.375 3.601 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1noc2c1CCCC2 1517856410 VRKVRBJIQMTJHE-GFCCVEGCSA-N 289.379 3.516 30 20 CHED Cc1cc(NC(=O)CCCC2CCCCC2)ncc1C#N 1526925866 VJWCJSOEAMOUPP-UHFFFAOYSA-N 285.391 3.951 30 20 CHED Cc1ccc(C#N)c(NCC2(OC(C)C)CCCCC2)n1 1559132684 ABKGOJAJOZZCRM-UHFFFAOYSA-N 287.407 3.802 30 20 CHED N#Cc1ccc(F)c(NC(=O)Cc2cc3ccccc3o2)c1 1583534509 OTIFDBALPPLSIY-UHFFFAOYSA-N 294.285 3.625 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc(C(=O)O)c(Cl)c1 1601115471 UZKSWRFAGSBNIM-UHFFFAOYSA-N 298.685 3.574 30 20 CHED N#CC1(CSCc2cccc(C(=O)O)c2Cl)CCC1 1608176028 SKUVEQBZTVTBOI-UHFFFAOYSA-N 295.791 3.965 30 20 CHED Cc1cccc(C)c1CN(C)Cc1cccc(C#N)c1F 1620621264 AAPYCRPFTOBTTA-UHFFFAOYSA-N 282.362 3.946 30 20 CHED Cc1cc(CN2C[C@@H](C)CCC[C@@H]2C)ccc1C#N 1621175896 KZDSLZVBHPVILQ-ZFWWWQNUSA-N 256.393 3.877 30 20 CHED CN(c1ncccc1C#N)[C@H]1CCC[C@H]1C(C)(C)C 1640047205 NMKRGLTULOGFGG-KGLIPLIRSA-N 257.381 3.604 30 20 CHED CCN(Cc1ccccc1Cl)c1ncc(C#N)cc1F 1642062436 BXVJSZCDHNELIU-UHFFFAOYSA-N 289.741 3.772 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1643442370 LLVZKWIENYBWFI-KCXAZCMYSA-N 270.376 3.537 30 20 CHED C[C@]12CN(c3nc(C#N)c(Cl)s3)C[C@H]1[C@H]1CC[C@@H]2C1 1651468481 PDNRKQIFUTVVMR-AEISUSGSSA-N 293.823 3.541 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)c1nc(Cl)c(C#N)s1 1651590250 RGENTSBBVPQOSK-QMMMGPOBSA-N 293.779 3.571 30 20 CHED CN(C[C@@H]1CC1(C)C)c1c(Br)cccc1C#N 1652081865 RHDBFHJQOSUUKT-NSHDSACASA-N 293.208 3.803 30 20 CHED Cc1ccccc1SC[C@H](C)CN(C)[C@@H](C)CC#N 1652893742 WAXOLGOYQPADNO-HIFRSBDPSA-N 276.449 3.957 30 20 CHED N#CCOc1cccc(NCc2cccc3ccoc23)c1 1657713873 RXTKTASBZMLENH-UHFFFAOYSA-N 278.311 3.947 30 20 CHED C[C@H]1C[C@@H](N2CCC[C@H](C#N)C2)c2ccsc2S1 1659993019 NVHZQNVKMCKGNI-DMDPSCGWSA-N 278.446 3.909 30 20 CHED C[C@H](NC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1 1671449197 BIYDXEZIJZQMOZ-NEPJUHHUSA-N 299.399 3.933 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1cc(C)cs1 1776013507 BTSOVGLXJGMICE-UHFFFAOYSA-N 274.345 3.591 30 20 CHED C=C1CC(CN2CCC(Cc3ccccc3C(=O)O)CC2)C1 1776144839 ZYTTZLFYRXNGQA-UHFFFAOYSA-N 299.414 3.606 30 20 CHED CC(C)c1cccc(C(=O)/C=C/c2cncc(C(=O)O)c2)c1 1776375342 HSHPMDLLIZFIRQ-VOTSOKGWSA-N 295.338 3.799 30 20 CHED N#Cc1ccccc1COC(=O)/C=C/c1cccc(Cl)c1 5166813 DYOJFGHIUQZMEF-CMDGGOBGSA-N 297.741 3.968 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)c2ccc(F)cc2F)c1 5293518 TYMIFTAPZSJNEK-XPAGJJBOSA-N 291.297 3.859 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccccc2C)ccc1O 8322513 LBNARCWIXYTZHO-CSKARUKUSA-N 282.339 3.995 30 20 CHED CCCCCC[C@H](C)NC(=O)c1ccc(C#N)cc1 31093157 XOEPYYVQFMXGQR-ZDUSSCGKSA-N 258.365 3.647 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)C1(C)C 32617860 RPLSNDLOPOIEOG-IRXDYDNUSA-N 296.414 3.755 30 20 CHED N#Cc1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1 32898465 JLBDQKBHJLRPSR-UHFFFAOYSA-N 290.366 3.618 30 20 CHED CCc1ccc(CNc2cccc(F)c2C#N)s1 36157822 UDXDCSJVJGNILP-UHFFFAOYSA-N 260.337 3.933 30 20 CHED CCCCN(CCCC)C(=O)Nc1cccc(C#N)c1 43330131 MWCBOZFIPWBNDV-UHFFFAOYSA-N 273.380 3.992 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1ccc2c(c1)OCO2 44013332 WQXNDBKTJZPQEX-ORCRQEGFSA-N 288.249 3.590 30 20 CHED C[C@H]1CCCC[C@H]1N(C)Cc1cc(C#N)ccc1F 55386723 SDZLAQDAAGDSGS-BLLLJJGKSA-N 260.356 3.708 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCCc2sccc21 61359938 FGDAQEVRCFRZAV-INIZCTEOSA-N 297.423 3.927 30 20 CHED C=CCN(C(=O)c1cnc(CC)s1)c1ccccc1 65052864 XOHBLHXXWSETPN-UHFFFAOYSA-N 272.373 3.538 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(C(C)(C)C)ccc1O 66897427 HOJPWCNGIZJPNG-GFCCVEGCSA-N 291.391 3.609 30 20 CHED CC(C)CCN(C)c1nc2ccccc2cc1C#N 71389848 UOTCMXMOQROUKM-UHFFFAOYSA-N 253.349 3.589 30 20 CHED CCc1cnc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)o1 75645760 LKZYWEPPEZOMTQ-ZDUSSCGKSA-N 283.375 3.692 30 20 CHED C=CCNC(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 83019083 TVUYPCIPZRGROS-NWDGAFQWSA-N 280.799 3.659 30 20 CHED C#CCCCCN[C@@H](C)c1cc(Cl)c(OC)cc1OC 90397742 CGXGHTAOUQHTPH-LBPRGKRZSA-N 295.810 3.811 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC(C)(C)C2(C)C)cc1 93507874 PASYFQUVKZNYKI-ZDUSSCGKSA-N 272.392 3.598 30 20 CHED CCCCCCCSc1nc(=O)ccn1C1CC1 105574527 OQYQSVURFIPYCE-UHFFFAOYSA-N 266.410 3.641 30 20 CHED N#Cc1cccc(C[S@](=O)c2ccc(F)c(Cl)c2)c1 108020284 GKYWHFNUEGQTGZ-LJQANCHMSA-N 293.750 3.659 30 20 CHED CC[C@H](C)CN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 111708876 VABWRRYBRMNOBF-JTQLQIEISA-N 279.771 3.721 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H]2CCCC[C@@H]2C1 112011689 LJRJCEITYVCHPJ-CHWSQXEVSA-N 258.340 3.714 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(CC)cc2)no1 113736041 YQTHWDQYXCNVRX-GFCCVEGCSA-N 272.348 3.953 30 20 CHED C=CC[C@@H](C)NC(=O)c1c(Cl)c2ccccc2n1C 116859458 YVELZWCZHNUTAU-SNVBAGLBSA-N 276.767 3.526 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(N(CC)CC)cc1 120685885 PFYLYJSKMFCRKE-UHFFFAOYSA-N 274.408 3.571 30 20 CHED CC(=O)c1ccccc1OCc1cn2ccccc2c1C#N 121094817 IUUJPXCUBZMXAK-UHFFFAOYSA-N 290.322 3.593 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(O)nc(C(C)C)c1 121539621 GYMSZNWHLXQUPV-UHFFFAOYSA-N 290.407 3.729 30 20 CHED C=CCC(CC=C)C(=O)N1c2ccccc2C[C@@H]1C 121838132 DLTUPENTNLFXHB-ZDUSSCGKSA-N 255.361 3.733 30 20 CHED Cc1cccnc1[C@H](NCC#Cc1ccc(F)cc1)C(C)C 121905809 QCKXJSNAARCAND-GOSISDBHSA-N 296.389 3.868 30 20 CHED C#CCCCCC(=O)Oc1ccc(F)c(Br)c1 122197623 DZXOMIRMRGRLLU-UHFFFAOYSA-N 299.139 3.687 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1cc(Cl)ccc1Cl 125074366 ZEIWHTAQJPUHPE-SECBINFHSA-N 289.158 3.880 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H](CC)c2ccncc2)c1 125134407 KYGGHPHUGZIJCT-PUMYGXPMSA-N 284.359 3.756 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(OCC(C)C)c1 125366259 KOUMCDMCXGUXBA-CQSZACIVSA-N 291.391 3.641 30 20 CHED C/C(=C/c1cccc(OCCCC#N)c1)c1cnccn1 126546339 IXAXMBSAKNPODE-KAMYIIQDSA-N 279.343 3.720 30 20 CHED CC[C@H](C#N)Sc1nnc(C)n1[C@@H]1CCC[C@H](C)C1 127918587 FFZJQEBWRBRKIU-CYZMBNFOSA-N 278.425 3.732 30 20 CHED CC[C@@H](NC(=O)c1sccc1C#N)c1ccc(C)cc1 128006869 BREGPVIRHGAEAN-CQSZACIVSA-N 284.384 3.809 30 20 CHED N#CCN(C(=O)c1csc2c1CCCC2)C1CCCC1 128324081 GFGZPAJVLJJGFL-UHFFFAOYSA-N 288.416 3.535 30 20 CHED CCCCCCCCCCNC(=O)c1ccc(C)[nH]c1=O 131886822 JGQZXFLMGFJJDR-UHFFFAOYSA-N 292.423 3.554 30 20 CHED CC1(C)CCC(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)CC1 131987264 LJPWWSNSGNMGIW-HNNXBMFYSA-N 298.386 3.550 30 20 CHED N#Cc1c(F)cccc1OCc1cc(-c2ccccc2)on1 132148937 KCRKSHMNBIBZRH-UHFFFAOYSA-N 294.285 3.931 30 20 CHED C[C@H](Cc1ccccc1F)Nc1cccc(C#N)c1 134003504 SJTVXQQATPBENZ-GFCCVEGCSA-N 254.308 3.740 30 20 CHED C=CCCCCCN(C)Cc1cccnc1Cl 150876835 YRFJCARRKUVQSF-UHFFFAOYSA-N 252.789 3.913 30 20 CHED CCCNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 154615712 FBWLTSZHEFGBFU-UHFFFAOYSA-N 294.354 3.799 30 20 CHED CCCN(Cc1ccc(O[C@@H](C)C#N)cc1)CC1CC1 154681047 FSMNHWJYNFLSMX-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C#CCCCCNC(=O)N1CCCCC[C@H]1c1ccco1 155009718 LPPOXLRBYIYNPJ-HNNXBMFYSA-N 288.391 3.710 30 20 CHED CCCn1cc(NCc2cccc(OCCCC#N)c2)cn1 157449707 PKEPVNWKXKHSGD-UHFFFAOYSA-N 298.390 3.588 30 20 CHED COc1cc(C#N)ccc1CNc1ccccc1SC 157798481 MHGAWKAONRPUQQ-UHFFFAOYSA-N 284.384 3.901 30 20 CHED N#CC1(c2ccccc2)CC(N[C@H]2CCCc3occc32)C1 158453624 XIPULPSSHRAWOM-RMXPPQQLSA-N 292.382 3.871 30 20 CHED CCC(C)(C)NC(=O)N[C@@H](CCC#N)c1ccccc1 160521325 PXZSQCJXAFLNQM-AWEZNQCLSA-N 273.380 3.519 30 20 CHED C=CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1 162213039 MKPZKYLMYJIVKM-UHFFFAOYSA-N 287.256 3.635 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](N2CCCC2)C1 171442682 BGTLRNNOLNLJAJ-KRWDZBQOSA-N 294.483 3.824 30 20 CHED CC(C)(CNC(=O)c1cccc(CC#N)c1)c1cccs1 172153256 ZPVAKVQJXWSVGM-UHFFFAOYSA-N 298.411 3.522 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1C#N 172195262 WTXLCABETHLNCL-DVQDXYAYSA-N 282.387 3.609 30 20 CHED Cc1csc(CSc2nc(C)cc(C)c2C#N)n1 173319030 FWRPISMQYAXSRK-UHFFFAOYSA-N 275.402 3.627 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1ccc(N(C)C)cc1 177857315 DEKCXKPVRVEUHE-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCC1(C)C 178575148 SNWDHQFNCJGQJT-AWEZNQCLSA-N 271.364 3.567 30 20 CHED Cn1cc(/C=C2/Cc3cc(F)ccc3C2=O)c(C(C)(C)C)n1 180314213 YJXRRRPXJIOGSD-WQLSENKSSA-N 298.361 3.679 30 20 CHED CSc1c(F)cc(NC(=O)C2(C#N)CCCC2)cc1F 181676606 KTHSVCLHLRMZIK-UHFFFAOYSA-N 296.342 3.709 30 20 CHED C=C(C)CN[C@H](c1c(F)cccc1F)C(F)(F)F 183442003 ZSFLPSJLGJYZTI-LLVKDONJSA-N 265.225 3.734 30 20 CHED CC[C@H](CC#N)NC(=O)C1(c2cccc(C)c2)CCCC1 183816192 RJZIJMXFVRYTAZ-MRXNPFEDSA-N 284.403 3.615 30 20 CHED N#CC1(COC(=O)/C=C/Sc2ccccc2)CCC1 183847191 QEHQAHTWFKIROH-JXMROGBWSA-N 273.357 3.529 30 20 CHED CCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1F 185728266 QTMIMJIIXRTMGR-RYUDHWBXSA-N 262.328 3.719 30 20 CHED N#CCCN(CCCCc1ccccc1)Cc1ccccn1 187127222 VXAXLCLZWWBPOU-UHFFFAOYSA-N 293.414 3.820 30 20 CHED Cc1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cn1 187293866 JENOLDJLVACTSV-UHFFFAOYSA-N 299.418 3.619 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(N2CCCC2)cc1 187986997 QJARXKIHQNWFTJ-KRWDZBQOSA-N 273.376 3.795 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@H]1CCOc2c(F)cccc21 188050849 MFDRDXDZRCFJKB-JMSVASOKSA-N 263.356 3.840 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H](C)CC(C)C 189939409 KXHLCZYGCDXUMQ-CQSZACIVSA-N 266.429 3.990 30 20 CHED C#CCOC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 195532718 FZNZGABHNUXQGG-AWEZNQCLSA-N 281.355 3.504 30 20 CHED CC(C)CN(CCC#N)Cc1cccc(Cl)c1F 218340854 VFQHCKASAHMCKW-UHFFFAOYSA-N 268.763 3.851 30 20 CHED Cc1ccc(CN(C)Cc2cccc(C#N)c2F)cc1 219511274 MBCHWLOUIIAPHF-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1ccc(C#N)cc1 226188903 ZQOGPUOFTUSGFB-OAHLLOKOSA-N 258.365 3.647 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](N)C[C@@H]1C 236632767 OBKHEUHVLACUTH-HOTGVXAUSA-N 282.472 3.855 30 20 CHED Oc1nc2ccccc2cc1C=Nc1ccc(F)cc1 254939956 WFLOOFNWRCJYTJ-UHFFFAOYSA-N 266.275 3.830 30 20 CHED Oc1ccccc1C=Nc1ccc(OC[C@H]2CCCO2)cc1 255109513 UIEZUSIPJWGGFY-QGZVFWFLSA-N 297.354 3.701 30 20 CHED COc1cccc(/C=N\C[C@H](c2cccnc2)C(C)C)c1O 255495733 PPEGFIMVBBCPJZ-VBNMEBLOSA-N 298.386 3.655 30 20 CHED C=C1CCN(C(=O)c2ccc(SC(F)F)cc2)CC1 264191764 QSPFXDKZBJRORI-UHFFFAOYSA-N 283.343 3.794 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C)noc1C(C)C 265736032 UDVXMMLNAQETEF-UHFFFAOYSA-N 278.396 3.925 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 266950871 SUVIDDKVEMIJJZ-WCBMZHEXSA-N 285.174 3.515 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 270364425 ZSRJJPFMGLKEMT-PBHICJAKSA-N 284.403 3.793 30 20 CHED COc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)ccc1C 271969347 UBLWMOXUBQRMNP-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 271992175 LZOUGWRHDCESJH-UONOGXRCSA-N 282.387 3.502 30 20 CHED CC(C)Cn1cc(N[C@@H](C)c2cccc(C#N)c2)cn1 271993836 JDCHRDRFFDCRNY-ZDUSSCGKSA-N 268.364 3.584 30 20 CHED CC(C)(C#N)CCN[C@@H](C[C@H]1CCOC1)c1ccccc1 272032272 PJVSDQOSUFCHFR-WBVHZDCISA-N 286.419 3.684 30 20 CHED C#CC[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccccc1 274988267 AREIPACKMHKRNK-NVXWUHKLSA-N 267.372 3.614 30 20 CHED CC[C@@H](C#N)Sc1nc2ccc([N+](=O)[O-])cc2s1 275816424 YKXWFACMXSJEKT-QMMMGPOBSA-N 279.346 3.599 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CC(C)(C)C#N)C1 278288493 GQHFHKDETYLAAL-LSDHHAIUSA-N 284.403 3.639 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1c1cccs1 281402740 PSAAMMVWSWPUHL-QWHCGFSZSA-N 278.421 3.949 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ncnn1C(C)(C)C 282609141 YRMWTNQHTBMOHG-UHFFFAOYSA-N 298.434 3.611 30 20 CHED C=CCC[C@H](NCC[C@H]1CCCCO1)c1ccco1 285996820 HHTORYWGUJNJCW-CABCVRRESA-N 263.381 3.836 30 20 CHED C=CCC(C)(C)C(=O)N1Cc2cccc(Cl)c2C1 292435786 MEDFIKGMUYJYMD-UHFFFAOYSA-N 263.768 3.785 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(Cc3ccccc3F)CC2)C1 293204793 UONUZSCVHTXMRV-RDJZCZTQSA-N 286.394 3.772 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)CCC1 295335921 BCMOLRLOWJJXDY-UKRRQHHQSA-N 285.387 3.761 30 20 CHED CC#CCN(C)C(=O)Nc1c(CC)cc(C)cc1CC 296615394 AWMRENVBSJNQBZ-UHFFFAOYSA-N 272.392 3.607 30 20 CHED C=CCCc1noc(CCC(=O)c2cc(C)ccc2C)n1 297286472 LOWZKPLCVSDIDC-UHFFFAOYSA-N 284.359 3.621 30 20 CHED CCOc1ccccc1CNc1c(F)cc(C#N)cc1F 301086681 GRCMQKUDEHNNFY-UHFFFAOYSA-N 288.297 3.847 30 20 CHED CC1CCN(CCCCNc2ccc(C#N)cc2F)CC1 301153613 QHLYWQQIDMUDPA-UHFFFAOYSA-N 289.398 3.621 30 20 CHED N#Cc1cc(F)ccc1NCCCSc1nccs1 301751894 BFVDDYCWFOSOLR-UHFFFAOYSA-N 293.392 3.748 30 20 CHED C[C@H]1Cc2ccccc2N1c1snc(Cl)c1C#N 301928504 LAOXWCPXSRKKIS-QMMMGPOBSA-N 275.764 3.751 30 20 CHED C[C@@H](N(C)c1ccc2cc(C#N)ccc2n1)C1(C)CC1 301976980 MUCRNTFSMCQFQC-GFCCVEGCSA-N 265.360 3.731 30 20 CHED CC(=O)c1ccc(C#N)cc1N1CC[C@@H](C)C[C@@H](C)C1 302160138 XYIFRQVLKCHOCY-CHWSQXEVSA-N 270.376 3.633 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)[C@@H](C)CC 303018209 OFUPONXNQAUVHO-KBPBESRZSA-N 292.398 3.958 30 20 CHED CCCCc1ccc(Nc2cc(C#N)nc(C)n2)cc1 308155814 APOZXXWCBGQKNO-UHFFFAOYSA-N 266.348 3.743 30 20 CHED Cc1cc(N[C@@H](C)c2ccc(C)s2)cc(C#N)n1 308267380 LEFCWWAGBRGJNW-NSHDSACASA-N 257.362 3.805 30 20 CHED Cc1cc(NCc2ccc(F)c(Cl)c2)cc(C#N)n1 308281598 VRPIGHFMWFKIMR-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CCCN(C)c1ncc(Br)cc1Cl 308539510 METSPZJLOOUFNF-UHFFFAOYSA-N 275.577 3.510 30 20 CHED Cc1cc(CN[C@@H]2CCC[C@@H]2C#N)sc1Br 309857952 LJHZNYAXCLHNSM-MWLCHTKSSA-N 299.237 3.601 30 20 CHED N#Cc1ccc(NC/C=C\Cl)cc1C(F)(F)F 310044025 WRHCNVOAIOCAOR-RJRFIUFISA-N 260.646 3.741 30 20 CHED N#CCc1cccc(NCc2c(F)cccc2F)c1 313497062 REFSDJMOLFUCLA-UHFFFAOYSA-N 258.271 3.643 30 20 CHED CCCCN(C(=O)Cc1ccc(C#N)cc1)c1ccccc1 315746062 YHJNVWXYPQRPLI-UHFFFAOYSA-N 292.382 3.934 30 20 CHED O/C(=N/Cc1ncccc1O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329099350 MGKNBCIKIHUUAB-MELADBBJSA-N 288.391 3.850 30 20 CHED CC1CCC(N(C)/C(O)=N/CCc2cccc(C#N)c2)CC1 330973563 IMFKSMLJXWKNHD-UHFFFAOYSA-N 299.418 3.525 30 20 CHED C[C@@H](C#N)C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 336018379 WRLIOUHNRASWCN-QMMMGPOBSA-N 291.763 3.562 30 20 CHED Cc1ccc(F)cc1NC(=O)c1cccc(C#N)c1C 337746244 GOCIJNIKNPGQJG-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1c(NCc2cc(C#N)cs2)cnn1CCC(C)C 341253630 CQPRQNTWAUZXQP-UHFFFAOYSA-N 288.420 3.783 30 20 CHED CN(C(=O)C[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1C#N 341489700 RDYKLVNJRMEORX-DLBZAZTESA-N 290.366 3.715 30 20 CHED N#CCCCNC(=O)Nc1ccccc1Oc1ccccc1 344924098 YZCIWFSFBLDQEH-UHFFFAOYSA-N 295.342 3.904 30 20 CHED C=C(CN[C@H](C)c1cccc(CO)c1)c1ccccc1 345171229 UTOKRGICXRPFDD-OAHLLOKOSA-N 267.372 3.543 30 20 CHED C=CC[C@@H]1N(C(=O)CC(F)(F)F)CCCC1(C)C 347425302 HRPHTRWDGREQBL-JTQLQIEISA-N 263.303 3.532 30 20 CHED C=CC[C@@H]1N(C(=O)c2occc2C)CCCC1(C)C 347492393 VEAMVLQNHOCOIY-ZDUSSCGKSA-N 261.365 3.795 30 20 CHED CCc1nc(C)c(C(=O)N(CCC#N)C(C)(C)CC)s1 348525262 HGTGAMPPQKKRKH-UHFFFAOYSA-N 293.436 3.558 30 20 CHED CC(=O)c1cc(NCc2cccc(C#N)c2)ccc1F 349699093 KOFLETBLGUVMNT-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C=CCOCC(=O)Nc1cc(Cl)ccc1SCC 354986860 LPKSDJNXIULSQW-UHFFFAOYSA-N 285.796 3.593 30 20 CHED CSC[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 360646708 JZJRJMMNITVUQR-MLGOLLRUSA-N 274.433 3.667 30 20 CHED C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccon1 360884134 NPJFQLDKRAQJKJ-SJCJKPOMSA-N 281.359 3.665 30 20 CHED N#Cc1cccnc1N1CCC(c2ccc(F)c(F)c2)CC1 369002449 KSSQKKVHHNNURR-UHFFFAOYSA-N 299.324 3.615 30 20 CHED Cc1cc(F)c(F)cc1OCCCC(C)(C)C#N 381062700 WYKLRNGUWPNJQU-UHFFFAOYSA-N 253.292 3.982 30 20 CHED CCCOc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 404855153 SQIUFHPGZXAVSC-UHFFFAOYSA-N 298.361 3.776 30 20 CHED C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@@H](C)C1 409729329 JRXNSRHWGKUCRX-MNOVXSKESA-N 297.324 3.844 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(C)c2ccccc2C#N)C[C@H]1C 410579346 XHLOXVRXRWDEJD-MGPQQGTHSA-N 270.376 3.593 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410973722 WQMNQVBELDRSBD-ZWNOBZJWSA-N 276.767 3.781 30 20 CHED N#CC1(CCN2CCC[C@@H](OCC3CC3)C2)CCCCC1 411571412 PHVOCBWOSQLXPX-QGZVFWFLSA-N 290.451 3.742 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc2cccnc2[nH]1 412105628 DXGHQZLVLLXLLI-UHFFFAOYSA-N 297.402 3.771 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc3cccnc3[nH]2)CCCC1(C)C 412291520 LATVDQAIWZIOPF-HNNXBMFYSA-N 297.402 3.770 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)[C@@](C)(OC)C1CC1 413694168 QIMWPPYXTQCMBE-RHSMWYFYSA-N 296.455 3.578 30 20 CHED C=CCC(C)(C)CNc1ncnc2oc(C)c(C(C)=O)c12 414216095 VBMBFMCPMRIAAX-UHFFFAOYSA-N 287.363 3.748 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)c1ccc(C2CC2)cc1 416288787 HRZQAFRLIOFABL-LLVKDONJSA-N 293.370 3.563 30 20 CHED CSc1ccc([C@H](C)NCC2(C#N)CCC2)cc1F 418143572 QJEDVIWBFCCSIX-NSHDSACASA-N 278.396 3.892 30 20 CHED CC(C)c1cccc(CC(=O)NCc2ccc(C#N)s2)c1 421600347 HKMHICCYYRAJOE-UHFFFAOYSA-N 298.411 3.602 30 20 CHED C=CCC[C@@H](CC)N[C@H](CCCN)c1ccccc1 423503707 NATXLCSXRZLKSX-IAGOWNOFSA-N 260.425 3.801 30 20 CHED C=CC1CCN(CC#Cc2ccc(Cl)cc2)CC1 427008559 MNQWVHSLIRHXBW-UHFFFAOYSA-N 259.780 3.590 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccccc1)C(C)(C)C 429960255 DBIJWJDZBQRIRC-CQSZACIVSA-N 260.381 3.649 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(F)c(F)c(F)c1 432952836 ARAGEYGPNGJVBP-UHFFFAOYSA-N 286.297 3.828 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@H]2CCC[C@@H]21 433377576 NFUOULQDBIQMNN-SQNIBIBYSA-N 296.414 3.550 30 20 CHED COc1cccc(C)c1NCc1cccc(C#N)c1F 435886167 TYFMTXWYMHKDSR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCC[C@@H](N[C@@H]1CCOc2ccc(F)cc21)C1CC1 437052732 FRCNMMBQWDMOPM-HZPDHXFCSA-N 275.367 3.984 30 20 CHED COC(=O)c1cc(CSc2ccccc2C#N)oc1C 439721393 SNNZRRKPFZUKCM-UHFFFAOYSA-N 287.340 3.539 30 20 CHED Cc1ccc(SC[C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 442842460 IFMDYECBEHSZON-RRFJBIMHSA-N 274.433 3.758 30 20 CHED CC#CCCCC(=O)Nc1cc2[nH]ccc2cc1C 444450726 QICBSUORYMVSCR-UHFFFAOYSA-N 254.333 3.608 30 20 CHED CC#CCN[C@@H](CC(F)(F)F)c1ccccc1C 444778905 AXPOTQKCQGFIEE-ZDUSSCGKSA-N 255.283 3.601 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)Cc1ccc(C)cc1C 448942059 HQLGNUWOAPKLHY-CQSZACIVSA-N 259.393 3.563 30 20 CHED C=CCC1(C(=O)N[C@H]2[C@@H]3c4ccccc4C[C@H]32)CCCCC1 450144111 ZAXPWAIQPAEHPG-KZNAEPCWSA-N 295.426 3.968 30 20 CHED Cc1cccc([C@H]2CCCN2CC2(C#N)CCC2)c1 450287150 OVJAESQFTABGIW-MRXNPFEDSA-N 254.377 3.826 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@H]2CC23CCOCC3)c1 450791810 JBVRAYDWYUZSCU-ZDUSSCGKSA-N 296.292 3.558 30 20 CHED C=CCC1(C(=O)NC2CCC(CSC)CC2)CCC1 452481384 NTNCUKMZWLWNJF-UHFFFAOYSA-N 281.465 3.771 30 20 CHED C=CCC1(c2nc(C3(OC)CCCC3)no2)CCCC1 453156406 DLIWKYBYGSAYNT-UHFFFAOYSA-N 276.380 3.873 30 20 CHED C=CCCC1(c2nc(CCc3ncccc3C)no2)CC1 453225333 OAFPCYQMLGPIRT-UHFFFAOYSA-N 283.375 3.556 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 455278236 WJCZMKHKEWLRRK-PMPSAXMXSA-N 299.418 3.746 30 20 CHED Cc1ccc(S[C@H](C)C(=O)NCC(C)(C)CC#N)cc1 457993207 VDBKSMRMKSPRLN-CYBMUJFWSA-N 290.432 3.532 30 20 CHED CC[C@@H](CC(=O)NCC(C)(C)CC#N)c1ccccc1 457997566 VQVRVKLLECAQOT-AWEZNQCLSA-N 272.392 3.626 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@H](C)c2ccccc21 458815838 ZJVGUTAKXXXLJE-ZDUSSCGKSA-N 272.392 3.922 30 20 CHED CCCOc1cccc(CNCC(C)(C)CC#N)c1 459699723 ROLLQTFSSOYPQD-UHFFFAOYSA-N 260.381 3.505 30 20 CHED C[C@@H](C(=O)N1CCC(C(C)(C)C)CC1)c1cccc(C#N)c1 462132349 QBZMMAZAPHGLDH-CQSZACIVSA-N 298.430 3.946 30 20 CHED C=CCOc1ccc(OCCOc2ccccc2)cc1 462667298 QNWYOJNWVWBITM-UHFFFAOYSA-N 270.328 3.709 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(-c2ccccc2F)no1 462828716 ZGERRIGIGPWYBG-NSHDSACASA-N 293.301 3.899 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3C[C@H]4[C@@H](C3)C4(C)C)c2c1 462896076 MSDHYQWGACSXGD-IYBDPMFKSA-N 291.398 3.816 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C[C@H]1CCc2ccccc2C1 464162306 MOLRTXGMGMZOAD-IFXJQAMLSA-N 298.430 3.626 30 20 CHED C=C[C@H](C)NC(=O)c1csc(-c2cccc(Cl)c2)n1 465106671 GKPQKRXCBRYGFR-VIFPVBQESA-N 292.791 3.768 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@H]1CCCC 467017018 ZKALQQITZJDWRT-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1nc(C(C)(C)C)cs1 468642855 UTAZDFGSKSLYIQ-HNNXBMFYSA-N 296.436 3.608 30 20 CHED C=CCCCCNC(=O)c1ccc(Oc2ccccc2)nc1 471686723 UGCQSCVHMJFWJO-UHFFFAOYSA-N 296.370 3.960 30 20 CHED C=CCCCCNC(=O)C[C@@H](C)c1ccc(F)cc1 471691044 CAZOEKCTFHJBQP-CYBMUJFWSA-N 263.356 3.792 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)CSc1ccc(C)cc1 472877610 QPDIPBZKTRCXBP-UONOGXRCSA-N 292.448 3.739 30 20 CHED C=CCCCCNC(=O)NC(C)(C)c1cccc(F)c1 474090769 TXELBGXRBXUZRP-UHFFFAOYSA-N 278.371 3.716 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)C(C)C 479754226 VSCLMBBOXDGWIT-CYBMUJFWSA-N 262.328 3.708 30 20 CHED COc1ccc(N[C@H]2CCCCc3cc(C#N)ccc32)cn1 481672834 SWLJVHUJKMBPGN-KRWDZBQOSA-N 293.370 3.841 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCC3(CCCCC3)O2)CCC1 481865333 VKEJSEFYXJWTOD-OAHLLOKOSA-N 291.435 3.731 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CCC)CCCC 483993968 LPEGHJUPWDYGMQ-AWEZNQCLSA-N 252.402 3.729 30 20 CHED CCN(Cc1ccccc1C(C)(C)C#N)C1CCC1 487426985 IIZUVWJFKUDAPQ-UHFFFAOYSA-N 256.393 3.862 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc2ccccc2n1 487485814 OJWJENDORFMETE-QGZVFWFLSA-N 294.398 3.735 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2cccc(F)c2C#N)c1 488331133 ISDXHSPSJKCSKX-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED C=C(C)CNC(=O)N[C@H](CC)c1ccc(Cl)s1 488562683 SFYIBVVOMWHYLT-SECBINFHSA-N 272.801 3.728 30 20 CHED C=C(C)CNC(=O)N[C@H](CCC)CCc1ccccc1 488573659 BAYXQZRAMCYKPC-MRXNPFEDSA-N 274.408 3.663 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc([N+](=O)[O-])c1 489889053 WGMSYGMQBSKXRU-CYBMUJFWSA-N 295.342 3.659 30 20 CHED C=C(C)COc1cccc(NCc2cccc(O)c2OC)c1 491011572 WFWXVSWFDSBJAU-UHFFFAOYSA-N 299.370 3.968 30 20 CHED CC(C)C[C@@H]1CCCCCN1C(=O)CC(C)(C)C#N 499528844 LFDXDAVEYQRELD-AWEZNQCLSA-N 264.413 3.744 30 20 CHED C[C@@H](C#N)CN(C)C[C@H](C)c1ccc(C(F)(F)F)cc1 501166409 XUJIGFZRLJNKBK-RYUDHWBXSA-N 284.325 3.900 30 20 CHED C=CCOc1ccc(CN2CCO[C@@H](CC)C2)cc1Cl 506367003 BZXFKOUVZFURIF-AWEZNQCLSA-N 295.810 3.516 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 508249887 SRRFUYVKRLGTGK-HOCLYGCPSA-N 285.391 3.895 30 20 CHED Cc1c(C#N)cccc1-c1nc(Cc2cccc(F)c2)no1 510739900 YVHPFELUIOZIDM-UHFFFAOYSA-N 293.301 3.647 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCC[C@@H]2CCCF)c1 510926433 CWZRXQJJOXPYNE-IAGOWNOFSA-N 274.383 3.609 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 520013473 MIRAYZFMCAZISB-ILXRZTDVSA-N 281.440 3.689 30 20 CHED C=C1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)CC1 525369975 UTYYYDQCOHIKQQ-NEPJUHHUSA-N 293.769 3.761 30 20 CHED C[C@@H]1CCc2c(sc(NC(=O)[C@H](C)C3CC3)c2C#N)C1 530872262 SVVLNRJELFICTL-NXEZZACHSA-N 288.416 3.729 30 20 CHED C=C(C)[C@H](CC(=O)N(C(CC)CC)C1CC1)OCC 535883975 XVJZYMJCIIDLEG-HNNXBMFYSA-N 267.413 3.537 30 20 CHED C=CCC[C@H](Nc1cccc(C(=O)NCC)c1)C1CC1 537515897 CZMIXNBPEDWKBL-INIZCTEOSA-N 272.392 3.593 30 20 CHED C=CCCC[C@H](C)NC(=O)COC/C=C\c1ccccc1 538334061 PIKSVUCVUICYCS-OVHOFWQVSA-N 287.403 3.577 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1coc2cc(F)ccc12 538336038 QFQGUPKLUFHPDE-LBPRGKRZSA-N 289.350 3.975 30 20 CHED C=CCCOCCCCc1nc(-c2ccc(C)cc2)no1 539408981 UFAZYIZLOGRUBW-UHFFFAOYSA-N 286.375 3.960 30 20 CHED N#Cc1ccc(CNCc2c(F)cccc2Cl)s1 539498124 ZVGAMIBBOHAVRC-UHFFFAOYSA-N 280.755 3.702 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(C(C)C)cc1 540399171 WCQZNBMLVZPUFP-LSDHHAIUSA-N 261.409 3.645 30 20 CHED Cc1cccc(O[C@@H](C)CN[C@H](C)c2ccc(C#N)cc2)c1 540593667 NBIXXCOCJHCUJM-JKSUJKDBSA-N 294.398 3.985 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(CC#N)cc1 542278651 DKVBRNFYTROENT-ZTFGCOKTSA-N 268.404 3.906 30 20 CHED COCCOc1ccc(C#N)cc1N[C@@H](C)C1CCCC1 542487734 RRTLGIZSGWDCDT-ZDUSSCGKSA-N 288.391 3.574 30 20 CHED CC(=O)c1ccc(C#N)c(NCC(C2CC2)C2CC2)c1 544395388 RNEORASIELOWBD-UHFFFAOYSA-N 268.360 3.609 30 20 CHED C=CCNCc1cnc(-c2ccc(Cl)cc2)s1 551576686 XZTQDDXAZLPNMI-UHFFFAOYSA-N 264.781 3.739 30 20 CHED C=CCC[C@H](N[C@@H]1CCN(C2CCCC2)C1)c1ccco1 552045793 PBWVELAZOVMXBQ-WBVHZDCISA-N 288.435 3.893 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)C/C(C)=C/c1ccccc1 555271612 CDQJGSUZNWANFJ-RVDMUPIBSA-N 296.418 3.702 30 20 CHED C=CCC(C)(C)c1noc(CCc2nc3ccccc3[nH]2)n1 560021514 DFEDZLOPDZCGLD-UHFFFAOYSA-N 296.374 3.585 30 20 CHED Cc1cc(C(=O)N(C)[C@@H](C)C#N)sc1-c1ccccc1 563822253 ZBWFBBIFNHCGAH-LBPRGKRZSA-N 284.384 3.708 30 20 CHED Cc1nsc(N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1C#N 569637671 UQDMZCFYSAIZDH-IUODEOHRSA-N 297.427 3.953 30 20 CHED CCCCCOc1ccc(Oc2ccnc(C#N)n2)cc1 583641254 JSXUMQZJFNTELO-UHFFFAOYSA-N 283.331 3.710 30 20 CHED CC(C)Oc1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)cc1 585748064 QIIBMVUOUIYYED-UHFFFAOYSA-N 298.386 3.525 30 20 CHED COc1ccc(NC(=O)CCCCCC#N)cc1Cl 588147217 FXCMIMICPALLEG-UHFFFAOYSA-N 280.755 3.761 30 20 CHED N#CCCCCCC(=O)N1CC[C@@H](c2cccc(F)c2)C1 588156948 QKYZPRYWUORPDI-OAHLLOKOSA-N 288.366 3.616 30 20 CHED O=C(/C=C\c1sccc1Cl)c1ccc(O)cc1O 588601400 YSVUQWRYNVDNPD-ARJAWSKDSA-N 280.732 3.709 30 20 CHED CN(C(=O)CCCCCC#N)C1CCC(C)(C)CC1 588639605 MGWMQAXWIIVSNM-UHFFFAOYSA-N 264.413 3.888 30 20 CHED CC(C)N(Cc1ccccc1)C(=O)CCCCCC#N 588752968 ZBAFWFQBQHRBEC-UHFFFAOYSA-N 272.392 3.898 30 20 CHED N#Cc1cccc(CN2CCC[C@H](c3ccccc3)C2)c1 590119717 RPAVSLSXAKFUKM-IBGZPJMESA-N 276.383 3.938 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCCC1(C)C 593990812 RWGBKHWKKJUVKP-PBHICJAKSA-N 298.430 3.822 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1oc2c(C)ccc(C)c2c1C 594088793 OIWOYCBQPHMHKH-ZDUSSCGKSA-N 284.359 3.732 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 594097379 MOEOQJRISVYOFS-ONGXEEELSA-N 299.201 3.857 30 20 CHED C[C@@H](Nc1cc(C(C)(C)C)ncn1)c1cccc(C#N)c1 596145788 XOQPFAWLBDFWIC-GFCCVEGCSA-N 280.375 3.819 30 20 CHED CC(C)c1cc(N2CCC[C@@H](CC#N)C2)nc(C(C)C)n1 596329621 MJSFQUDRPLEODR-AWEZNQCLSA-N 286.423 3.853 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CC[C@H]2C[C@H]2C1 596510539 MFWNNPRNPUKZEC-QWRGUYRKSA-N 283.762 3.606 30 20 CHED N#CC1(CC(=O)Nc2cc(F)c(F)c(F)c2)CCCCC1 597286540 KDQQXSVHVUUILV-UHFFFAOYSA-N 296.292 3.907 30 20 CHED CC(C)CC1(C(=O)NCCc2ccc(C#N)cc2)CCCC1 597893077 NTXWGHXALAFYFO-UHFFFAOYSA-N 298.430 3.823 30 20 CHED Cc1ccc(CCCCC(=O)N(C2CC2)[C@@H](C)C#N)cc1 598128909 DFQODONPGNYJDV-HNNXBMFYSA-N 284.403 3.611 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2cccc(CC#N)c2)C1 600226985 WXLPDPHQSVAYSI-UHFFFAOYSA-N 284.403 3.793 30 20 CHED C[C@H](C#N)Cn1nc(C(F)(F)F)cc1-c1ccccc1 601932788 NKOIXLYGAAJSSO-SNVBAGLBSA-N 279.265 3.729 30 20 CHED CC[C@H](NC[C@@H](C)CCC#N)c1ccc(OC)c(OC)c1 602661784 LRWWNVVSMOWJRV-ZFWWWQNUSA-N 290.407 3.684 30 20 CHED C[C@@H](CCC#N)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 602690775 OHVRODSIVPZNPP-WMZOPIPTSA-N 298.430 3.780 30 20 CHED C[C@H](c1ccccc1)N(CC1(CC#N)CC1)C1CC1 602792408 XHRQDTOZEZNPHJ-CQSZACIVSA-N 254.377 3.906 30 20 CHED C=CCCCSc1nc(-c2ccc(C)cc2)n[nH]1 605076710 VZNMMULIGVPANT-UHFFFAOYSA-N 259.378 3.838 30 20 CHED CC(C)CC[C@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 610357530 ODONIDPETIJITO-UONOGXRCSA-N 287.407 3.743 30 20 CHED CC[C@H](NCCCSCC#N)C1CCCCC1 611433793 VYBJKAFNFOJGNY-AWEZNQCLSA-N 254.443 3.582 30 20 CHED C[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 612045960 UASDYKUGQIDWFF-UONOGXRCSA-N 278.355 3.539 30 20 CHED CC(C)C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612366849 XWUYGFIHZZZWJK-HKUYNNGSSA-N 298.430 3.969 30 20 CHED CC#CCCSCc1cc(-c2ccc(OC)cc2)no1 613168932 ZEWXAKIQLYPUHK-UHFFFAOYSA-N 287.384 3.997 30 20 CHED CC#CCCNC(=O)[C@@H](CCC)c1ccc(Cl)cc1 613320280 IYHMELVSXZJPQY-HNNXBMFYSA-N 277.795 3.753 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 617788984 WJHIIILCZWCIPE-NSHDSACASA-N 281.758 3.907 30 20 CHED N#Cc1cc(NCc2nccc3ccccc23)ccc1F 617816825 QZCDXIGOEVXNKP-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccsc1 618802993 GKGLWZKKSAENCD-BZNIZROVSA-N 268.385 3.958 30 20 CHED C=CCCOCC(=O)N(c1ccccc1)C1CCCCC1 620696381 OFCDDIJBTACQEM-UHFFFAOYSA-N 287.403 3.945 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ccc2[nH]ccc2c1 620857836 LCDMPYUQQZRWGI-UHFFFAOYSA-N 284.403 3.962 30 20 CHED C=CCN(Cc1ccc(C(F)(F)F)cc1)[C@@H](C)COC 621317644 PSEDNCCBUVQWPI-LBPRGKRZSA-N 287.325 3.728 30 20 CHED C=C(C)CCNCC1(O)CCC(c2ccccc2)CC1 629580356 RISHHBDQJZZFTN-UHFFFAOYSA-N 273.420 3.631 30 20 CHED C=CCCC(=O)N1CCC[C@]1(C)Cc1cccc(F)c1 648456993 QZBGWYVAABDITK-QGZVFWFLSA-N 275.367 3.716 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C2CCC2)C2CC2)C1 661300867 UYCDLQOLOXFEDX-CJNGLKHVSA-N 276.424 3.563 30 20 CHED C=CC[C@H]1CCCN(c2cc(C(F)F)nc(SC)n2)C1 664254869 GUUVNGYUIPCDMW-JTQLQIEISA-N 299.390 3.929 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2ccsc2)CCCC1 664840262 YBKASPZWCHFBRS-LBPRGKRZSA-N 278.421 3.997 30 20 CHED N#C[C@@H](C(=O)c1ccc(C(F)(F)F)s1)c1ccccn1 671749518 CIYQAUTUUPKXMH-MRVPVSSYSA-N 296.273 3.652 30 20 CHED Clc1ccc(C#CCN2CCOc3ccccc3C2)cc1 674248788 ALXOTHCEIJZPTK-UHFFFAOYSA-N 297.785 3.586 30 20 CHED C=CCC[C@H](CCC)Nc1ccc2c(c1)C(=O)NCC2 679147245 CMGGVMCBVKUEJV-AWEZNQCLSA-N 272.392 3.519 30 20 CHED CCCCCCCCN1CC[C@H](C(F)(F)F)[C@H](CN)C1 697663083 UPOLUSNSNYXSMP-KGLIPLIRSA-N 294.405 3.806 30 20 CHED C[C@H](OC(=O)Cc1cccc(F)c1)c1cccc(C#N)c1 727639390 LQJZLNTWNKPJAB-LBPRGKRZSA-N 283.302 3.544 30 20 CHED C#Cc1cccc(NC(=O)N(Cc2ccco2)C(C)C)c1 729037980 VOFKVHICQZVVJJ-UHFFFAOYSA-N 282.343 3.703 30 20 CHED Cc1cccc2c1C/C(=C\c1cccc(F)c1)C2=O 729149995 HPXOGPJREQMRKJ-MDWZMJQESA-N 252.288 3.957 30 20 CHED COc1cccc(NN=C(C)Cc2cccs2)c1 729635509 XECUJUOELGOOOG-UHFFFAOYSA-N 260.362 3.787 30 20 CHED C#CCOc1ccccc1OCc1cc(C)ccc1OC 730566984 QEQWAIIQOGXHLW-UHFFFAOYSA-N 282.339 3.595 30 20 CHED Oc1nc2ccccc2cc1/C=N\CC1CCSCC1 733205189 MQJTWQQPUAUBKP-BOPFTXTBSA-N 286.400 3.503 30 20 CHED C#CCOc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1 733325053 UKOZMNAIMRXWEX-RDTXWAMCSA-N 295.382 3.705 30 20 CHED Cc1nc(-c2ccccc2)c(C(=O)O[C@@H](C)CC#N)s1 733711035 RRQQJOIJWKKJLU-JTQLQIEISA-N 286.356 3.578 30 20 CHED CCC(CC)NN=C(CSC)c1ccccc1 734366425 RIGLZMGIMPAZFP-UHFFFAOYSA-N 250.411 3.532 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cccc(C)c1C)C(C)C 734693177 TUWCSEBWHNXCOM-OAHLLOKOSA-N 274.408 3.970 30 20 CHED Cc1ncc2c(n1)CCC[C@H]2Nc1cc(Cl)ccc1C#N 736295590 WXPRSDDZOSVYMO-OAHLLOKOSA-N 298.777 3.800 30 20 CHED CC[C@@H](/N=C\c1cccc(O)c1O)c1ccc(F)cc1F 737440362 FYEPZILWNXAUTJ-NGMPYOPUSA-N 291.297 3.946 30 20 CHED C#CCN(C(=O)[C@H](C)c1cccc(C)c1)C1CCCCC1 739537628 YSYZOIMJIVJRMY-MRXNPFEDSA-N 283.415 3.893 30 20 CHED CC[C@@H]1CCCC(=NNc2cc(Cl)nc(C)n2)C1 741763963 MKDIHRDPWRZQMB-SNVBAGLBSA-N 266.776 3.807 30 20 CHED C=CCNC(=S)N(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 743004288 IYAPUIRBULSEKS-HOTGVXAUSA-N 288.460 3.623 30 20 CHED CCCCCCCCN1CCC2(CCOCC2)C1 744428159 HJKAWNOLDOQOPR-UHFFFAOYSA-N 253.430 3.849 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H](CCO)C1 745343647 ZSRRZGHUJQICSX-MRXNPFEDSA-N 298.471 3.541 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 745400347 ZISGAWBVSGOGFM-ZOBUZTSGSA-N 282.387 3.678 30 20 CHED N#CC1(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 746051397 TZNVGNOMJMKXBL-RRFJBIMHSA-N 275.392 3.972 30 20 CHED CC(C)COc1ccc(C=NOCc2cccnc2)cc1 746585862 MXUPAUPOUONEOZ-UHFFFAOYSA-N 284.359 3.667 30 20 CHED CCOc1cccc(/C=N\Cc2cc3ccccc3[nH]2)c1O 746680931 AYHDKEROWBMVAK-ODLFYWEKSA-N 294.354 3.891 30 20 CHED C=CCN(C(=O)NCCc1c[nH]c2cc(C)ccc12)C(C)C 749423775 MUCUEJRXUOCFNT-UHFFFAOYSA-N 299.418 3.625 30 20 CHED C#CCN(C(=O)C[C@@H]1CCC[C@@H](C)C1)C1CCCCC1 749797269 UNCAKJWBHZGTBV-HZPDHXFCSA-N 275.436 3.997 30 20 CHED C=CCN(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 752129606 NCFXLRNKKVRXID-FQEVSTJZSA-N 293.410 3.509 30 20 CHED C=C(Cl)COC(=O)c1ccc2ccc(Cl)cc2n1 752587416 QTSFQQJLQQESLJ-UHFFFAOYSA-N 282.126 3.798 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2cc(C)ccn2)cc1 755907380 YONXKTIYLISJQR-ZDUSSCGKSA-N 283.375 3.990 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cc(F)ccc1O 756626307 NRILSFLNNIDFPB-NEPJUHHUSA-N 284.334 3.815 30 20 CHED C#CC[C@@H](NC(=O)NCC1(C2CC2)CCC1)c1ccccc1 757045236 AFDKUSLRVKFJOB-QGZVFWFLSA-N 296.414 3.631 30 20 CHED Cc1cccc2cc(C=NOCC(F)F)c(Cl)nc12 758909935 GASDUMLTUCMJNV-UHFFFAOYSA-N 284.693 3.812 30 20 CHED N#Cc1ccc(F)cc1COC(=O)CC1=CCCCC1 759363828 XXPPRGDAVUDFTB-UHFFFAOYSA-N 273.307 3.631 30 20 CHED Cc1cc(/C=C2\COc3ccccc3C2=O)cnc1Cl 760264189 LBJCRUNHNCHWGZ-KPKJPENVSA-N 285.730 3.702 30 20 CHED Cc1cccc(C)c1CNc1nc2c(cc1C#N)CCC2 765600359 GLFVYKRWYAVDRW-UHFFFAOYSA-N 277.371 3.671 30 20 CHED Fc1cccc(Oc2ccc(C=NNC3CC3)cc2)c1 766456077 YHQYBQMTVKLCTM-UHFFFAOYSA-N 270.307 3.704 30 20 CHED C#CCC(C)(C)C(=O)NC1CCC(CCCC)CC1 767067138 LPXLJMIIAZMEOV-UHFFFAOYSA-N 263.425 3.901 30 20 CHED CCc1ccc(C(C)=NNc2cccc(C#N)c2)cc1 767335300 BFFLCCSPYAWIPE-UHFFFAOYSA-N 263.344 3.957 30 20 CHED CCCCCCCOc1ccc(CN2CC[C@H](O)C2)cc1 768409520 ODCMHMYEOMIRKD-KRWDZBQOSA-N 291.435 3.602 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(OC)c(C)cc1O 768441406 LFUJFAQPSKIXJS-UHFFFAOYSA-N 297.398 3.897 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCCOc3ccccc32)c1 773029269 WNXLEQHBJPYIAO-QGZVFWFLSA-N 296.345 3.701 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ccccc1C(=O)O 773191540 UFQGXBBURLQMBC-GXTWGEPZSA-N 272.348 3.775 30 20 CHED Cc1occc1SCc1ccc(OCC#N)cc1 775214222 DULOGZVYHRTBKI-UHFFFAOYSA-N 259.330 3.783 30 20 CHED C=C(C)CN[C@@H](C)c1cccc(OC(F)(F)F)c1 775554756 XLOAWMPECZTJFH-JTQLQIEISA-N 259.271 3.812 30 20 CHED Cc1ccc(F)c(C(=O)O[C@@H](C#N)C2CCCCC2)c1 776383836 RTMOKZJAXWWPKG-HNNXBMFYSA-N 275.323 3.763 30 20 CHED CC(C)(C#N)CCN[C@@H](c1ccccc1)C1CCOCC1 776604508 CMACGAKIRGKIEX-KRWDZBQOSA-N 286.419 3.684 30 20 CHED N#Cc1c(F)cccc1C(=O)OCc1cccc(Cl)c1 778371900 VQJPPJCNDYYYNV-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C 778841274 NRWBNXVUECADNR-ZDUSSCGKSA-N 289.331 3.701 30 20 CHED CC[C@H](C)c1ccc(OC(=O)c2c[nH]c(C#N)c2)cc1 779194505 VLRITNGENARHIK-NSHDSACASA-N 268.316 3.619 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)[C@H]1CC=CCC1 780038284 DMPKLCDRPHCGEI-NSHDSACASA-N 275.735 3.611 30 20 CHED O=C(NO)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 782171345 BUCYYAYQTBXAFN-UHFFFAOYSA-N 298.125 3.905 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1cc(F)ccc1C 783552364 DFIUASGDBVZCHK-UHFFFAOYSA-N 289.354 3.540 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@H]2C[C@@]2(CO)C1 783818466 IKGPQEPPASGKPR-JZXOWHBKSA-N 295.467 3.604 30 20 CHED CC(=NOCc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] 783820380 FTQWEKPFKVSXPE-UHFFFAOYSA-N 288.278 3.675 30 20 CHED C#CCCCOC(=O)C1(Cc2ccccc2Cl)CC1 784283826 VPMSLFFIWVVNSN-UHFFFAOYSA-N 276.763 3.619 30 20 CHED C=C[C@H](CC(=O)OCc1ccc(F)cn1)c1ccccc1 787762670 QWDOYXPONYDTFB-CYBMUJFWSA-N 285.318 3.624 30 20 CHED C#CCC1(C(=O)N(C)Cc2ccccc2C)CCCCC1 788129607 HVHHUGHQBAXADW-UHFFFAOYSA-N 283.415 3.927 30 20 CHED C#CCC1(C(=O)Nc2cc(C(C)(C)C)[nH]n2)CCCCC1 788583610 UNJTZQLDFARJFO-UHFFFAOYSA-N 287.407 3.620 30 20 CHED Clc1ccnc(NN=Cc2ccsc2Cl)c1 790174213 QBTYMVWIEPARGX-UHFFFAOYSA-N 272.160 3.896 30 20 CHED Cc1cccnc1NN=C1CCSc2ccc(F)cc21 790187072 SXQKBBQBJXWSBZ-UHFFFAOYSA-N 287.363 3.841 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1c1ccccc1C 791059600 SBOSOOKBTOAJLO-WBVHZDCISA-N 284.403 3.643 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(-c2cccs2)nc1C 791202351 LHSNVNVEBBJUCK-ZDUSSCGKSA-N 298.411 3.650 30 20 CHED CSCCON=C1CCC[C@@H]1Cc1ccccc1 794573945 PJIICSLRBQHDHB-CQSZACIVSA-N 263.406 3.765 30 20 CHED O=C(/C=C/c1cscc1Br)c1ccco1 794702348 NMZMZPOZKGCUFP-ONEGZZNKSA-N 283.146 4.000 30 20 CHED CC(=NNc1cccc(F)n1)c1ccccc1Cl 795005976 ARGUTFRICOFAHV-UHFFFAOYSA-N 263.703 3.710 30 20 CHED COc1ccc(CCC(C)=NNc2cccc(F)n2)cc1 795007925 RMDOPILZXYYVAS-UHFFFAOYSA-N 287.338 3.650 30 20 CHED C=C(C)CN(CC)c1ccc(C(=O)CC)cc1[N+](=O)[O-] 795066239 FPDYWBLOXXGZDR-UHFFFAOYSA-N 276.336 3.590 30 20 CHED COc1ccc2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc2c1 797022414 QPBRNGLWRGNXNJ-IUODEOHRSA-N 266.344 3.953 30 20 CHED CCCCCC[C@H](C)CC(=O)NCC1(CC#N)CC1 797562252 ZCWYAGVRYJXCGE-AWEZNQCLSA-N 264.413 3.793 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1sccc1Cl 797963408 NLNYIYIBTVYISD-UHFFFAOYSA-N 281.720 3.532 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cn(C(C)C)nc2C)c1 798370312 JTALBNLNBNOTLS-SOFGYWHQSA-N 284.359 3.683 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(C)c(C#N)c1)C1CC1 799333281 ODVMKULQLLJUBZ-OCCSQVGLSA-N 284.403 3.906 30 20 CHED C=CCCC(=O)Oc1cccc2c1CCC(C)(C)O2 799413982 FUGSRMHMUMQRHG-UHFFFAOYSA-N 260.333 3.662 30 20 CHED C[C@@H](C#N)OCCSCc1ccc(Cl)c(F)c1 802752506 QXAYVNCMTBCXKU-VIFPVBQESA-N 273.760 3.641 30 20 CHED CC[C@](C)(C#N)C(=O)OCCCOc1ccc(C)c(C)c1 803784163 MWVCQSWOFDWTMR-QGZVFWFLSA-N 289.375 3.555 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@H](O)[C@H](C)C1 806944182 TVAROCRRGVNQMV-CVEARBPZSA-N 298.471 3.539 30 20 CHED CC(C)CC1CCN(C(=O)NCC(C)(C)CCC#N)CC1 807592206 VUYQUZLNMCHWAF-UHFFFAOYSA-N 293.455 3.784 30 20 CHED C#C[C@H](NC(=O)[C@H](CC=C)c1ccccc1)C(C)(C)C 807881897 FNJKIFMQTVXVLC-CVEARBPZSA-N 269.388 3.510 30 20 CHED C=CC[C@H](C)C(C)=NNc1ccc([N+](=O)[O-])cc1C 807989919 PZMHMQKVCWTOOV-JTQLQIEISA-N 261.325 3.903 30 20 CHED C#Cc1ccc(CN(CC=C)Cc2cccs2)cc1 809540373 SXUFBWFVMLSMJI-UHFFFAOYSA-N 267.397 3.918 30 20 CHED C=CCCCCOC(=O)C1(c2ccccc2F)CC1 811013377 RYGUQOJTBKZZMH-UHFFFAOYSA-N 262.324 3.757 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc3[nH]ccc3c2)c1 811639134 PCMIFAUZSBMMSQ-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C=CCNN=Cc1c[nH]c2ccc(C(C)(C)C)cc12 811650115 MBANXWIWBCLVDA-UHFFFAOYSA-N 255.365 3.575 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(F)c1)C2 811695397 FPOQJUIHEFOTCN-MKMNVTDBSA-N 263.271 3.520 30 20 CHED COCc1ccccc1/C=C(\C)C=NNc1ccccn1 814215591 QKJLCVVLUVXEQA-XHOSPMEYSA-N 281.359 3.729 30 20 CHED C(=NOCC1CC1)c1cccc(-c2cccnc2)c1 814242197 VHOXNNMDTQKCJA-UHFFFAOYSA-N 252.317 3.509 30 20 CHED CC(=NNc1ccc(C)cc1)c1cc(N)ccc1F 814685103 BQKZFNTUKBDENH-UHFFFAOYSA-N 257.312 3.552 30 20 CHED C[C@H]1C(=NNc2ccc3ccccc3n2)CC[C@H]1CC(=O)O 814697719 ZLVGIHXYYNASBN-YPMHNXCESA-N 297.358 3.524 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(Cl)cn2)cc1 814985817 UDBKCYGOWHKTAK-UHFFFAOYSA-N 289.766 3.970 30 20 CHED C=CCN(CC=C)C[C@H](O)c1cccc2ccccc12 815015337 JNIGQEZMVPZFJJ-SFHVURJKSA-N 267.372 3.547 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(OC(C)C)cc1 815642723 KIGLJXIERGIIFX-UHFFFAOYSA-N 270.275 3.591 30 20 CHED C#CCCCN[C@@H](c1ccc(OC)cc1F)C(C)C 817579030 SGBILYCQCVXLHF-MRXNPFEDSA-N 263.356 3.534 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1F)[C@@H](C)CC 826882458 LJRUERLGXZFHQX-LBPRGKRZSA-N 276.355 3.738 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C3CCC3)cc2)cnn1C 834434335 HATGBTJUZXPQCF-DHZHZOJOSA-N 280.371 3.892 30 20 CHED C=CC[C@H](N[C@@H](CC)c1ccncc1)c1ccncc1 834589630 MIONSUPULVVEJR-IRXDYDNUSA-N 267.376 3.835 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCCC12CCC2 834979770 QWXPBCDMUFXRKI-CQSZACIVSA-N 272.392 3.754 30 20 CHED N#Cc1csc(C(=O)OC[C@@H]2CCCCC2(F)F)c1 835637180 GVENNXRGASBSPK-JTQLQIEISA-N 285.315 3.602 30 20 CHED C=CC(C)(C)COC(=O)[C@H](CCC)c1ccccn1 835722659 VOCRELMNHLFZHG-CYBMUJFWSA-N 261.365 3.721 30 20 CHED Cc1ccc(-c2csc(NC(=O)C#CC3CC3)n2)s1 837403641 IHBFBLOWJODFOV-UHFFFAOYSA-N 288.397 3.532 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C(C)=O)c1ccccc1 837578750 OBIYYRMSPNQVNZ-MRXNPFEDSA-N 272.344 3.628 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3ccccc3)[nH]2)C1 839052276 PUWOTFFKODJMPH-DZGCQCFKSA-N 294.354 3.921 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839059187 YYSHFFXXKWMPTC-SYQHCUMBSA-N 289.400 3.786 30 20 CHED C/C(=C\C(C)(C)C)C(=O)Nc1nc(Cl)c(C#N)s1 841224330 KYUIVNJVJXQFGJ-FNORWQNLSA-N 283.784 3.599 30 20 CHED COCCN(C)N=C1CC[C@@H](c2cccc(Cl)c2)C1 841637957 YLEUSRVEQJMOJY-CYBMUJFWSA-N 280.799 3.542 30 20 CHED CCCON=C(C)c1ccc(F)cc1OC(F)F 842556654 LIEPJAHTCOWTLD-UHFFFAOYSA-N 261.243 3.578 30 20 CHED N#C[C@H](C(=O)/C=C/c1ccco1)c1nc(C2CC2)cs1 842939806 XXHVIYZQEPQKQV-BTDICHCPSA-N 284.340 3.503 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C(C)=C2CCC2)cc1 847042524 INEWAEBZMQVNEX-QGZVFWFLSA-N 282.387 3.772 30 20 CHED C[C@H](C/N=C(/Nc1ccccc1)N1CCCCC1)C1CC1 849064543 JNQVCRMEWHTQNG-OAHLLOKOSA-N 285.435 3.987 30 20 CHED CC(C)(C#N)CCCSC1CCC2(CC1)OCCO2 849940603 QUFSVPPTTNBIIT-UHFFFAOYSA-N 283.437 3.735 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)CCc1c(C)noc1C 851142416 QGPASUXKRCDMLG-GDBMZVCRSA-N 291.391 3.902 30 20 CHED CC(C)c1ccccc1/C=C1/CCn2nccc2C1=O 853010192 WZBOGYCQXFDZIB-KAMYIIQDSA-N 266.344 3.677 30 20 CHED N#Cc1nc(N2CCCCCCCC2)sc1Cl 853669535 QWQCLZDETDJZAU-UHFFFAOYSA-N 269.801 3.829 30 20 CHED CCCCCCCNC(=O)Nc1cccc([S@](C)=O)c1 860636635 AWKYXGYFJBZNEM-FQEVSTJZSA-N 296.436 3.516 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 860689791 UHBGTRSWMVUMPR-NXNVCVFFSA-N 280.408 3.585 30 20 CHED CCCCCCCNC(=O)c1cnn(C(C)(C)C)c1C 862360632 VHCBTASQLPPTCJ-UHFFFAOYSA-N 279.428 3.647 30 20 CHED C#CCCCCNC(=O)CCc1ccccc1C(F)(F)F 866547905 FSTIGKPBIDIBBH-UHFFFAOYSA-N 297.320 3.558 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](CCC)c1ccccn1 878734598 OMEYRAUBHQQCCJ-CQSZACIVSA-N 260.381 3.641 30 20 CHED C#CC(C)(C)NC(=O)Nc1cc(C(F)F)ccc1Cl 878971254 FMSCSVYMAORXSB-UHFFFAOYSA-N 286.709 3.811 30 20 CHED C=C1CCC(C(=O)N2CCC(OCCC(C)C)CC2)CC1 888265194 FZGSHNMHQBQYIX-UHFFFAOYSA-N 293.451 3.787 30 20 CHED C/C(=C/C(=O)Nc1cc(C#N)ccc1F)C(C)(C)C 891450333 GUCGBPWDZGMLIC-YFHOEESVSA-N 260.312 3.628 30 20 CHED N#CCN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccccn1 892477336 RWWARGMTEFQURE-HRCADAONSA-N 297.402 3.545 30 20 CHED C=CCC(C)(C)c1noc(-c2cnc(C(C)C)nc2C)n1 896330564 MSNNJKNCDDKSOL-UHFFFAOYSA-N 286.379 3.812 30 20 CHED CC[C@H](C)C[S@](=O)CCCCC1(C#N)CCC1 899287426 UXRADGKVOICHCT-SUMWQHHRSA-N 255.427 3.645 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C)nc2C2CC2)cc1C 899335329 AEDATGALBSHCGO-HJWRWDBZSA-N 280.371 3.810 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cn(C)nc1C1CC1)CC2 899363872 IZOBPRQSWXAFSC-XNTDXEJSSA-N 292.382 3.818 30 20 CHED CCc1ncc(COc2ccc(C(F)(F)F)c(C#N)c2)o1 902743105 GVXJQOMREJJDJZ-UHFFFAOYSA-N 296.248 3.706 30 20 CHED CC[C@H](NC[C@@H](C)c1nccs1)c1cccc(C#N)c1 902952314 XABBLGWPTIKFHC-DOMZBBRYSA-N 285.416 3.859 30 20 CHED Fc1cc2nc(NN=C[C@H]3CC=CCC3)[nH]c2cc1F 912817850 YMLZXPLRODJIIH-VIFPVBQESA-N 276.290 3.595 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCOc1ccc(F)cc1 914600454 VRLMUTFISIZYIX-VCHYOVAHSA-N 293.725 3.683 30 20 CHED CC(CCc1ccco1)=NNCc1ccc(F)c(F)c1 915975659 VKFSRNLPIOJZIQ-UHFFFAOYSA-N 278.302 3.656 30 20 CHED C[C@@H]1CCCCC1=NNC(=S)N[C@@H]1CCCC[C@H]1C 916277239 ALONMRYVKRVFSQ-JHJVBQTASA-N 281.469 3.595 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NN[C@@H](C)c2ccccc2)o1 920383256 UTZFVOPVRGVZFU-ZDUSSCGKSA-N 294.358 3.663 30 20 CHED CC(C)(C)OCc1ccccc1NC(=O)c1ccc(C#N)o1 928389455 FBBJWYDQRDLIBH-UHFFFAOYSA-N 298.342 3.719 30 20 CHED C=C1CN(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1 930248789 BKCWHWISRUMDGS-UHFFFAOYSA-N 290.338 3.551 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1c1ccc(O)cc1 934705550 AXVOBESVZKJXQK-BBRMVZONSA-N 273.376 3.658 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NOC(C)(C)C 1116533355 RUNAFOXHSNNLPY-UHFFFAOYSA-N 259.353 3.687 30 20 CHED CC[C@H](Nc1cc(C#N)ccn1)c1ccc(F)cc1 1117301309 XAZLBGONTFAVLC-AWEZNQCLSA-N 255.296 3.656 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1ccc(C#N)s1 1118397694 GLWGKBQZYOEIES-AWEZNQCLSA-N 265.378 3.879 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)c1ccc(Cl)cc1 1121160791 JUMZBNRVNOIMPG-FZMZJTMJSA-N 278.783 3.594 30 20 CHED C=C(CC)C(=O)Nc1ccc(Cl)cc1OC(F)F 1123686978 DTLZNCHJKBDKHG-UHFFFAOYSA-N 275.682 3.846 30 20 CHED Cc1cccc(Cl)c1C(=O)Nc1cc(C#N)ccc1F 1129603399 VOAVGYXCUQDIJL-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)[C@H]1C 1148349607 SCAAPOCBLRWRDQ-STQMWFEESA-N 271.408 3.876 30 20 CHED Cc1cc(N[C@H]2CSc3ccccc32)ncc1C#N 1162584377 HOQHYCRMCGMNEN-ZDUSSCGKSA-N 267.357 3.521 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCC(C)(C)C2)c1 1219116618 XUEUVPXQUXTCFJ-HNNXBMFYSA-N 285.391 3.909 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CC#Cc1ccccc1 1252968464 XXBJSIQOSHQCKL-RDJZCZTQSA-N 283.415 3.759 30 20 CHED N#Cc1cc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cs1 1261753001 ZKBSMHHWZPLPGV-CYBMUJFWSA-N 288.416 3.662 30 20 CHED N#Cc1c(F)cc(C(=O)Nc2cccc3cc[nH]c23)cc1F 1296783507 NYOSLZGNHPCSLM-UHFFFAOYSA-N 297.264 3.570 30 20 CHED CC#CCCN1C[C@@H]2CCCC[C@@]21c1ccccc1 1320251857 WQGFXHQIJJOJOS-ZWKOTPCHSA-N 253.389 3.801 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2c(C#N)cccc2C#N)o1 1322008424 ZBDWGSXXPMQZPH-XHDPSFHLSA-N 277.327 3.758 30 20 CHED C=CCN(C(=O)NCc1cccc(Cl)c1F)C(C)C 1322208937 DBHFJVVOVKDURZ-UHFFFAOYSA-N 284.762 3.585 30 20 CHED C=CCn1cnnc1S[C@H](CCC)CCCC 1326865758 IQZKPNXIVSPFTN-GFCCVEGCSA-N 253.415 3.915 30 20 CHED C[C@H]1CCCC[C@@H]1c1nnc(COc2ccccc2C#N)o1 1327012903 NYKWPTHTMOJPLB-JSGCOSHPSA-N 297.358 3.814 30 20 CHED C=CCCO[C@H](C)c1nnc(-c2ccccc2F)o1 1328119120 HQTAEVHXNRDBPB-SNVBAGLBSA-N 262.284 3.529 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)CCc1ccccc1F 1339198285 VLWBRMPBFKNIBU-UKRRQHHQSA-N 290.382 3.545 30 20 CHED N#Cc1cccc(C2(C(=O)Oc3cccc(Cl)c3)CC2)c1 1341924977 OJJITBSUELXUJU-UHFFFAOYSA-N 297.741 3.849 30 20 CHED CC1(C(=O)[C@@H](C#N)c2cccc(F)n2)CCCCCC1 1343331302 LNMXASDFVIUAAJ-LBPRGKRZSA-N 274.339 3.757 30 20 CHED CC(C)C1CCC(NC(=O)c2csc(C#N)c2)CC1 1344112615 VKADORFUAPELDF-UHFFFAOYSA-N 276.405 3.564 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(F)cc(OC)c1 1345265694 VGBCNYJYNDTTOX-CQSZACIVSA-N 292.354 3.797 30 20 CHED Cc1cccc(NC(=O)[C@H](CC#N)c2ccccc2)c1 1348137962 MIQFENYBHDCLMW-MRXNPFEDSA-N 264.328 3.631 30 20 CHED CCCCC1CCC(CNC(=O)c2ccc(C#N)o2)CC1 1355635127 SQJDGQITZNVLKJ-UHFFFAOYSA-N 288.391 3.878 30 20 CHED Cc1cccc(C)c1CNC(=O)Nc1cc(C#N)ccc1F 1466788423 HWNZRDPYMCEBFX-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CCC(CC)(CC)CNC(=O)c1cccc(C#N)c1C 1518663215 JLJLAFPWFQWASK-UHFFFAOYSA-N 272.392 3.813 30 20 CHED N#CC[C@H](OC(=O)CCCc1cccs1)c1ccco1 1520425163 JURDCAGQSMVMGD-AWEZNQCLSA-N 289.356 3.862 30 20 CHED C[C@@H](OC(=O)c1ccsc1C#N)c1nc2ccccc2o1 1520539355 UPFKGVBLXGZEMG-SECBINFHSA-N 298.323 3.679 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1F 1537237912 SVZXJJUHPHDECX-BBRMVZONSA-N 288.366 3.786 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(c1ccccc1)C1CC1 1544863080 RHINEIJZWMBSQE-UHFFFAOYSA-N 276.339 3.676 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)c1ncc(C#N)cc1F 1559074429 RAKNKWUUOJODCA-VIFPVBQESA-N 291.276 3.568 30 20 CHED N#Cc1cc(=N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc[nH]1 1559212574 OYIALORVMCPOHJ-HIFRSBDPSA-N 297.789 3.777 30 20 CHED N#Cc1c(F)cccc1SCC[C@H](O)c1ccccc1 1559418968 QIWQEBLEFAQRDX-HNNXBMFYSA-N 287.359 3.913 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H](C(C)(C)C)C1 1559788163 XCRRQVFWBPHSCB-INIZCTEOSA-N 286.419 3.825 30 20 CHED CC(CSC(C)(C)C)=NNc1ccc(F)c(C(=O)O)c1 1592822100 FLLRCCSPCZYUCY-UHFFFAOYSA-N 298.383 3.843 30 20 CHED N#Cc1cccc([C@@H](NCCC2=CCCCCC2)C(=O)O)c1 1608215633 NGGAYFQNBNDYLS-QGZVFWFLSA-N 298.386 3.554 30 20 CHED Cc1ccc(NC(=O)c2ccccc2CC#N)c(C)c1 1649365917 SLLBYSHMTADTOW-UHFFFAOYSA-N 264.328 3.622 30 20 CHED N#Cc1ccc(CNc2cccc(-c3cc[nH]n3)c2)cc1F 1658561200 MSEMPYPLOSRLPG-UHFFFAOYSA-N 292.317 3.700 30 20 CHED O=C(O)c1cc(C=NOCc2ccccc2)sc1Cl 1776029471 VIWHCAWORZUXBS-UHFFFAOYSA-N 295.747 3.650 30 20 CHED CC[C@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776062562 ZPBSSOPRCNISIW-JTQLQIEISA-N 278.327 3.892 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)c1sccc1C 1776074299 SKFVBDQXVDNQMW-UHFFFAOYSA-N 292.335 3.730 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccccc2F)cc1C(=O)O 1776131172 KBKXMMFRMSPGGD-CMDGGOBGSA-N 284.286 3.728 30 20 CHED C=CC[C@]1(C(=O)O)CCN([C@H](C)c2ccccc2Cl)C1 1776157438 MKTPMZZWMZDYPS-WBMJQRKESA-N 293.794 3.754 30 20 CHED C=CCCCN(CC)[C@H](C(=O)O)c1ccc(F)cc1Cl 1776174085 ZXMSHAGZKPONEX-AWEZNQCLSA-N 299.773 3.893 30 20 CHED C=CCCCCCCCCNc1ncc(C(=O)O)cn1 1776207930 JYOVGZXZYLNRSD-UHFFFAOYSA-N 277.368 3.503 30 20 CHED CCc1cccc(/C=C/C(=O)c2ccc(C(=O)O)cc2O)c1 1776974928 XHSMJVBIRLVHQW-RMKNXTFCSA-N 296.322 3.549 30 20 CHED Cc1c(Cl)cccc1NC(=O)CNc1ccc(C#N)cc1 21886955 MUZCNCWJQZXACC-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(OCC#N)cc2)[C@@H]1C 34991689 NIDKCBGMGFJFFU-CPUCHLNUSA-N 272.392 3.503 30 20 CHED Cc1sc2ncnc(NCc3ccc(C#N)cc3)c2c1C 37749682 FRKMQYAXQUILJG-UHFFFAOYSA-N 294.383 3.792 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1cccc(F)c1 48984673 VPAGCZZTUCDKGC-BQYQJAHWSA-N 272.323 3.742 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1 49882724 MHBWWDQOHQUEEC-HNNXBMFYSA-N 284.746 3.643 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1F 50545284 SWLDHHDFQVFPSF-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED CCCCCNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 58217186 NNAIUJHLSRFJMV-UHFFFAOYSA-N 287.407 3.668 30 20 CHED CCCN(CC1CCCCC1)c1ncccc1C#N 60452577 IPEYHMOCOWKHQN-UHFFFAOYSA-N 257.381 3.750 30 20 CHED CN(CCCCNCc1cccc(C#N)c1)c1ccccc1 67217693 WINOKOVGPWQJMB-UHFFFAOYSA-N 293.414 3.564 30 20 CHED C=C(C)CN(Cc1ccco1)Cc1ccccc1O 70975157 VPARTBCSAVGVRL-UHFFFAOYSA-N 257.333 3.564 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2C[C@@H]2C)c1 76830843 HPLOKLPYUSWPCY-GUYCJALGSA-N 295.407 3.919 30 20 CHED Cc1c(C(=O)N(CC#N)c2ccccc2)oc2ccccc12 78382542 IJYPFRVQUZSSPO-UHFFFAOYSA-N 290.322 3.912 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2ccncc2)cc1 83202100 GVERMCNXASPHBA-VMPITWQZSA-N 267.328 3.765 30 20 CHED N#Cc1cc(CNc2ccccc2Cl)ccc1F 83442284 OVLSFKMRGGEWCZ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CCSc1ccc(Cl)cc1C(=O)N(C)C[C@@H](C)C#N 84181688 RRYDROSXYBADPI-JTQLQIEISA-N 296.823 3.684 30 20 CHED COc1ccc(CNCc2cccc(C#N)c2)cc1Cl 86585524 DWBCOLBFVGYIJW-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C[C@H](NCC1(O)CCC(C)(C)CC1)c1cccc(C#N)c1 87048169 NQGQAMBJSGZCNY-AWEZNQCLSA-N 286.419 3.540 30 20 CHED Cn1cc(/C=C2/CCc3ccccc3C2=O)c(C(C)(C)C)n1 93901706 UXPZCANKXQNYTM-KAMYIIQDSA-N 294.398 3.930 30 20 CHED N#Cc1ccncc1N[C@H](c1ccccc1)c1ccccn1 94131964 RSOBIMRBNOGPMT-GOSISDBHSA-N 286.338 3.550 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 94592078 GBVUTGRAOIBVGB-MNOVXSKESA-N 261.325 3.703 30 20 CHED CCCCCCCC(=O)NCCN(C)c1ccccc1 105746603 ZTDQZXZPMNQJRN-UHFFFAOYSA-N 276.424 3.600 30 20 CHED CCN(CCC#N)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 108903039 SXAUXMLPCIIGCH-MSOLQXFVSA-N 292.382 3.705 30 20 CHED C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CCCCC#N 111309944 SHKLNCJBORZXEE-CJNGLKHVSA-N 292.810 3.796 30 20 CHED Cc1nc(C)c([C@@H](C)Nc2ccc(OCC#N)cc2)s1 111359940 KIWRRANZFHGVBI-LLVKDONJSA-N 287.388 3.835 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc(-c2ccccc2)cc1 113687992 ATTUBQYCABIEPQ-ZDUSSCGKSA-N 265.312 3.813 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C[C@H]1CCc2ccccc21 115371817 MVMKMBVBNZZXSX-MRXNPFEDSA-N 298.430 3.895 30 20 CHED C=CCCCS[C@H](C)C(=O)NCc1ccccc1C 117945033 IEJIAKMFHFOVGU-CQSZACIVSA-N 277.433 3.699 30 20 CHED N#Cc1csc(/C=C/C(=O)c2ccc(O)c(Cl)c2)c1 119256462 KIUNAKRSQKOYOL-DUXPYHPUSA-N 289.743 3.875 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(CCC#N)CCC(C)C)c1 121244945 NTKNWIRWXPUCBS-MRXNPFEDSA-N 286.419 3.887 30 20 CHED C=CC1CCN(C(=O)CCCc2sccc2C)CC1 122224055 OKKULTJIESXFOX-UHFFFAOYSA-N 277.433 3.804 30 20 CHED C=C[C@H](CC(=O)N(CC)CCCC)c1ccccc1 122385053 KVRUIHOFZGJWHM-OAHLLOKOSA-N 259.393 3.995 30 20 CHED N#Cc1cc(Br)ccc1OCC1CCCC1 128106041 PUACMCDWXZHGBG-UHFFFAOYSA-N 280.165 3.890 30 20 CHED N#CC1(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCC1 128133731 VPZHBMUOQYMUMY-UHFFFAOYSA-N 288.350 3.890 30 20 CHED C=C(C)COCCN[C@@H](C)c1cccc(Br)c1 128534222 DJJWMMBXMVZWDZ-LBPRGKRZSA-N 298.224 3.692 30 20 CHED CC1(C)C[C@H](NCc2ccc(C#N)o2)c2ccccc21 129441985 PKWMMHUAXPVZFF-INIZCTEOSA-N 266.344 3.663 30 20 CHED C=CCCC(=O)Nc1cccc(C)c1Br 132402692 NBADSSIDCZBLIH-UHFFFAOYSA-N 268.154 3.662 30 20 CHED Cc1cccc([C@@H](O)CNc2cc(Cl)ccc2C#N)c1 132524271 JSKQEABOGIJYBB-INIZCTEOSA-N 286.762 3.666 30 20 CHED C=CCC[C@@H](NC(=O)c1cscn1)c1ccccc1 134028611 FGABPNWDBHEHRV-CYBMUJFWSA-N 272.373 3.580 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 152380798 AMXIHDHPQZSXDB-CQSZACIVSA-N 271.364 3.602 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)c1ccc(F)cc1 157664275 DQOLZHWSUALXPK-OAHLLOKOSA-N 263.356 3.744 30 20 CHED COc1cc(Oc2ccccc2)ccc1N[C@@H](C)C#N 160310098 KIIZHRBHQHQZGA-LBPRGKRZSA-N 268.316 3.811 30 20 CHED N#CCCCCSCc1nc(-c2ccc(F)cc2)no1 161187321 WMRGCPBJSPAPON-UHFFFAOYSA-N 291.351 3.803 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)NCCCCC#N 174924955 QNWIDOIGVFJKSN-UHFFFAOYSA-N 299.296 3.829 30 20 CHED C[C@H](CC#N)N(C)CCSc1ccc(Cl)cc1 175993956 YRDCZHGMZMGICM-LLVKDONJSA-N 268.813 3.666 30 20 CHED Cc1cc(C)c(C(=O)N[C@](C)(C#N)CCc2ccccc2)o1 176586875 OYQGJINIWGIJKT-SFHVURJKSA-N 296.370 3.541 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cc2cc(F)ccc2s1 176789549 YZIGWWSVIWAABA-LLVKDONJSA-N 277.320 3.745 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1cc(F)ccc1C#N 177256431 ZPAXJHSWYWHMEB-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C=C(C)CN1CCC(NC(CCC)CCC)CC1 177314049 CABNEUMJFAPYAQ-UHFFFAOYSA-N 252.446 3.585 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)c2cccc(F)c2)n1 177756592 SQBNXZBVTKSIRM-GFCCVEGCSA-N 288.347 3.896 30 20 CHED C=CCC[C@H](NCc1ncc(Cl)n1C)c1ccccc1 178759223 BVXOKPWWTAACNZ-AWEZNQCLSA-N 289.810 3.871 30 20 CHED CCc1ccccc1C(=O)Nc1sc2c(c1C#N)CCC2 178769635 WYPVXWNDXIHCEX-UHFFFAOYSA-N 296.395 3.923 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C#N)cs1)CCC2 179751706 XDHTWSRBYGKPDE-HNNXBMFYSA-N 296.395 3.736 30 20 CHED C=CCC[C@@H](NCc1nnc(C(C)C)o1)c1ccccc1 180046011 UBIUNMGSSDDKGH-OAHLLOKOSA-N 285.391 3.990 30 20 CHED C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)c1cccc(C#N)c1 182073235 SVPPRSGNDFHMMT-DEYYWGMASA-N 292.382 3.774 30 20 CHED C=CCCC[C@H](C)NC(=O)CCC(=O)c1cccs1 182654966 BNYAHFWHNCRGQN-LBPRGKRZSA-N 279.405 3.572 30 20 CHED C[C@H]1CCCCN(C(=O)c2cccc(SCC#N)c2)C1 184408487 UYGWKGBMOAGTQE-ZDUSSCGKSA-N 288.416 3.564 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1cc(F)ccc1F 185263545 VAZRPJMAYWNBCQ-NSHDSACASA-N 266.287 3.763 30 20 CHED N#C[C@H]1CCC[C@@H](NCC2(c3cccc(F)c3)CC2)C1 185837557 HXWKGPMGLHMKKZ-XJKSGUPXSA-N 272.367 3.529 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCC1CCCC1 187515686 YPJJNRCPZPCIPW-UHFFFAOYSA-N 264.413 3.888 30 20 CHED C[C@H](Nc1ccccc1O[C@H](C)C#N)C1CCSCC1 187533572 ANXNVAMSSQFMQP-OLZOCXBDSA-N 290.432 3.921 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CCC1 188077472 FZDYQSWFCMPOEJ-UHFFFAOYSA-N 281.359 3.762 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)CCSCC)c1ccccc1 188344907 YLKWOAWPISDUHF-GDBMZVCRSA-N 291.460 3.994 30 20 CHED CC1(C)/C(=C\c2cn(C(C)(C)C)nn2)C(=O)c2ccccc21 191277302 ZFPVURUIBDTVLE-GDNBJRDFSA-N 295.386 3.591 30 20 CHED Cn1cc(CN(Cc2ccc(F)cc2)C(C)(C)C)cc1C#N 191299439 XDOSSFHWAMIWHY-UHFFFAOYSA-N 299.393 3.837 30 20 CHED C#CCCCC(=O)NCC(C)(C)c1ccc(Cl)cc1 192215599 SEDLUFHERHNZMQ-UHFFFAOYSA-N 277.795 3.537 30 20 CHED COc1ccccc1/C=C\C(=O)c1cccc(F)c1 206087680 WRUPOAVSNJXLQU-KTKRTIGZSA-N 256.276 3.730 30 20 CHED CC1(C)C[C@@H](Nc2cccc(Cl)c2C#N)CCO1 215390065 LAQPDZILWINBKP-JTQLQIEISA-N 264.756 3.581 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 219343132 BLUCBRQVXFVDFW-SOUVJXGZSA-N 296.455 3.719 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1C 221431924 IWKGABAJKHVXRU-VMPITWQZSA-N 268.312 3.611 30 20 CHED CCCC1(CNc2nc(C(F)(F)F)ccc2C#N)CC1 230150512 JESCPEIDAVBZNB-UHFFFAOYSA-N 283.297 3.964 30 20 CHED Cc1cccc(CNc2nccc(C#N)c2Cl)c1 235910896 HQLIKQLGONSNDE-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H](C#N)C1 248908229 VBNWAMFUTVIBDB-ZACQAIPSSA-N 256.393 3.680 30 20 CHED Cc1ccc(NN=Cc2ccc(N(C)C)cc2)cc1 254449738 GVNNFXLGWOYKHF-UHFFFAOYSA-N 253.349 3.507 30 20 CHED Oc1ccc(C=Nc2ccc3ccccc3c2)c(O)c1O 255080116 XJRQDHOESOLHOZ-UHFFFAOYSA-N 279.295 3.707 30 20 CHED COc1cccc(C=Nc2cccc3ncccc23)c1O 255143031 DJOKHOYANNXHIL-UHFFFAOYSA-N 278.311 3.700 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccnc2Cl)cc1 255191162 GVDSLJPNVCRWCM-FPLPWBNLSA-N 268.703 3.503 30 20 CHED O=C(/C=C\c1cc2ccccc2s1)c1cnccn1 255286463 YPADDXBMKMYSGP-WAYWQWQTSA-N 266.325 3.587 30 20 CHED Oc1ccc(Cl)cc1C=Nc1ccc2[nH]ncc2c1 255831938 PAOWTUFIMCZAEO-UHFFFAOYSA-N 271.707 3.673 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc2ncsc2c1)OCC 270016725 HMGBYUIGUROCBS-ZDUSSCGKSA-N 290.388 3.606 30 20 CHED C=CCOCCCc1nc(-c2coc3ccccc23)no1 277979534 UFJBBOKYUMJZTN-UHFFFAOYSA-N 284.315 3.618 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1C(F)(F)F 278282946 QCXDOAKZQYOQBS-UHFFFAOYSA-N 270.254 3.584 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1c(F)cccc1Cl 278616400 MYXHIGFUSVARIJ-DCAQKATOSA-N 266.747 3.822 30 20 CHED C=CCCCCCN(C)[C@H](C)c1nnc(C)s1 283208772 RVPRYVGHPYUQKH-LLVKDONJSA-N 253.415 3.586 30 20 CHED COc1ccc([C@@H](C)NCCC(C)(C)C#N)c(C)c1OC 286945439 MDYICDAHAWGGPW-CYBMUJFWSA-N 290.407 3.603 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(F)c(NC(=O)NC)c1 287632401 UGPKQCNKBVJRGT-MNOVXSKESA-N 279.359 3.590 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2CCC[C@H](C)C2)no1 288953268 PBLMOBGVQLQGAH-REWJHTLYSA-N 276.380 3.812 30 20 CHED CSCc1cccc(-c2noc(CC(C)(C)C#N)n2)c1 289040451 XIJGZEZXTYCLAY-UHFFFAOYSA-N 287.388 3.692 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCCC1)c1ccccc1 290775104 QGLNVVSJWDYKOU-ZDUSSCGKSA-N 257.333 3.765 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(NC(=O)OC)cc1 292338665 XUUYHJLPBCTIGI-UHFFFAOYSA-N 291.347 3.510 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(=Cc3ccccc3F)CC2)C1 292738015 HCMGVGSVQNFNBA-NVXWUHKLSA-N 284.378 3.997 30 20 CHED CC(F)(F)c1ccc(C(=O)NC2(C#N)CCCCC2)cc1 293520070 VWWDCQOZASZSFI-UHFFFAOYSA-N 292.329 3.755 30 20 CHED C[C@@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)c2nccn21 294040785 IQGMECCYRITRHN-CZUORRHYSA-N 296.374 3.684 30 20 CHED C#Cc1cccc(N(C(=O)c2ncoc2C2CC2)C(C)C)c1 294976302 ZSZMVFIVHBMRLE-UHFFFAOYSA-N 294.354 3.589 30 20 CHED C=CCCc1noc(-c2cnn(CC(C)C)c2C(F)F)n1 297236286 IERDIQZDYNJFPV-UHFFFAOYSA-N 296.321 3.645 30 20 CHED COc1ccc(C)cc1CSc1ncccc1C#N 301071189 FQTHNTPGYFSCBL-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CSCc1ccc(Nc2nnc(C)c(C)c2C#N)cc1 301166315 UYFJRFJRZBNZFS-UHFFFAOYSA-N 284.388 3.572 30 20 CHED CCCCN1CCC(Nc2ccc(Cl)cc2C#N)CC1 301385778 XAJDQFNHKODMDS-UHFFFAOYSA-N 291.826 3.888 30 20 CHED CCC(O)(CC)CNc1c(C#N)cnc2c(C)cc(C)cc12 301395694 FMQCCJQRUSDXAV-UHFFFAOYSA-N 297.402 3.686 30 20 CHED C[C@@]1(CNc2cc(Cl)ccc2C#N)CCCC[C@H]1O 301497148 UNIXQMGVQPIKOA-CABCVRRESA-N 278.783 3.565 30 20 CHED N#Cc1nccnc1Nc1cccc(CCC(F)(F)F)c1 301538688 BLWFEVBYFFHKIO-UHFFFAOYSA-N 292.264 3.587 30 20 CHED C[C@H](Nc1ccc(C#N)nn1)c1cccc(Cl)c1Cl 301998483 PLGCMWXLTRKMPQ-QMMMGPOBSA-N 293.157 3.828 30 20 CHED C[C@H](C#N)CNc1cnc2cc(Cl)c(Cl)cc2n1 302142683 FVZINIRAGDFKNA-SSDOTTSWSA-N 281.146 3.508 30 20 CHED N#Cc1cc(F)ccc1NCCc1nc2ccccc2s1 302382955 ABDIGKXODMACGG-UHFFFAOYSA-N 297.358 3.962 30 20 CHED N#Cc1cccc(C#N)c1NCC1(c2cccc(F)c2)CC1 302885582 MMJKNHBXAWWPOA-UHFFFAOYSA-N 291.329 3.713 30 20 CHED C=C[C@H](C)N[C@@H]1CCc2sc(Br)cc21 307639582 FUVXBDUKAAAXFM-IONNQARKSA-N 272.211 3.662 30 20 CHED C[C@@H](c1ccccc1F)N(C)c1ccc(C#N)c([N+](=O)[O-])c1 317570379 OONAAVHHMPFELH-NSHDSACASA-N 299.305 3.803 30 20 CHED C=C[C@@H](C)/N=C(/O)c1cc(C(C)C)nc2onc(C)c12 330929939 OJGAPAANKVJFKW-SECBINFHSA-N 273.336 3.534 30 20 CHED COCCC1(C/N=C(/O)N[C@@H]2CC[C@H](C)C2)CCCCC1 331172933 IUTCOKUWPRQULK-LSDHHAIUSA-N 296.455 3.666 30 20 CHED Cc1cccc([C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c1 333552953 UWYWXLQUGDPXRI-KBXCAEBGSA-N 282.387 3.646 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cccc(CC#N)c2)C1 334738830 AHEMMNGXMFZGCC-CZUORRHYSA-N 285.391 3.795 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ccsc2)c1 334771177 AGEVANJCYPTIBE-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C[C@H](N[C@@H]1COCc2ccccc21)c1ccc(C#N)c(F)c1 335305027 VPSODSDXFPUNQM-KPZWWZAWSA-N 296.345 3.619 30 20 CHED CSc1cccc(NC(=O)c2cc(C#N)oc2C)c1C 335895346 PTMPCTDEHCLZLR-UHFFFAOYSA-N 286.356 3.742 30 20 CHED Cc1ccc(C(=O)N(C)CC(C)(C)C#N)c2ccccc12 336283880 NOCOBVMFGLLNEX-UHFFFAOYSA-N 280.371 3.770 30 20 CHED N#CCCCCN1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 339260522 ZIVGHAURUCJLSB-QAETUUGQSA-N 260.425 3.971 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCO[C@H](CC)C2)n1 340784288 WPFMEIRDLAIKSQ-VXGBXAGGSA-N 264.369 3.596 30 20 CHED CC(C)(C)CCN[C@@H]1CCCc2cc(C#N)ccc21 341760816 MIXJXOKIAHLXGB-MRXNPFEDSA-N 256.393 3.961 30 20 CHED N#CC1(CNC2(c3ccc(Cl)cc3)CCC2)CC1 342145902 CGLASBUWYHPQEM-UHFFFAOYSA-N 260.768 3.613 30 20 CHED CC(=O)Nc1cccc(NCc2ccc(CC#N)cc2)c1C 342437773 OGUVMHFZURSEQO-UHFFFAOYSA-N 293.370 3.632 30 20 CHED CC(=O)Nc1ccc(C)cc1OCc1ccc(CC#N)cc1 342497967 AVCNZNHQUIYBPC-UHFFFAOYSA-N 294.354 3.599 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@@H]2c2cccc(Cl)c2)n1 343042407 AWEGFPZFQDEKMU-CABCVRRESA-N 283.762 3.883 30 20 CHED C[C@H](CCC1CC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 345956789 WDKNAYSKMZYDME-PBHICJAKSA-N 299.418 3.909 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C2CCC2)cc1 347759316 XQACSNVJXKVJHC-CYBMUJFWSA-N 273.376 3.874 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 352103082 YAJPNYOZFMETOQ-YJBOKZPZSA-N 284.403 3.855 30 20 CHED C=CCC[C@H](O)CN(C1CC1)[C@H](C)c1ccccc1 352837453 FJJRQARJXJBERX-PBHICJAKSA-N 259.393 3.539 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(C[S@@](C)=O)cc1 353815330 DGERTOHUEBUCIO-FXAWDEMLSA-N 293.476 3.790 30 20 CHED C[C@@H](NCCCCC#N)c1cc2c(s1)CCCC2 361115355 WYNYVCGYJFDSPY-GFCCVEGCSA-N 262.422 3.971 30 20 CHED C=CCSc1ccccc1C(=O)N(C)C1CCCC1 361459597 MSFUOISKCKZVHJ-UHFFFAOYSA-N 275.417 3.979 30 20 CHED C=CCCC1(C(=O)N(C)[C@@H]2C[C@H](OCC)C23CCC3)CC1 361932713 NQIXVAYEOPLVKL-CABCVRRESA-N 291.435 3.539 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(-c2ccsc2)nc1C 371505291 YRBWXHXOKCOPMQ-UHFFFAOYSA-N 298.411 3.933 30 20 CHED N#CCCCCN1CC=C(c2c(F)cccc2F)CC1 372124196 KDXCLNNGBLQQAU-UHFFFAOYSA-N 276.330 3.748 30 20 CHED CCC[C@@]1(C)CCCN(CCCC2(C#N)CCOCC2)C1 410388113 ADOLGIGBAQICFC-KRWDZBQOSA-N 292.467 3.989 30 20 CHED Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c2ccccc12 414204577 BNQJMKLYKQEFKG-HOCLYGCPSA-N 264.372 3.930 30 20 CHED C[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 416113094 WLWJPZOXZLCOIX-WBMJQRKESA-N 284.403 3.734 30 20 CHED C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)[C@@H](C)[C@@H]1C 418133747 NVXIWBQKGZPEFF-OAGGEKHMSA-N 286.419 3.845 30 20 CHED C=CCCc1ccccc1NC(=O)[C@]12CCC[C@H]1C2 421549448 ZJSIHZXGPWFBEX-YOEHRIQHSA-N 255.361 3.934 30 20 CHED COc1ccc([C@H](C)NCc2ccc(C#N)s2)c(C)c1 421891185 VWONFFKPCOBBGS-LBPRGKRZSA-N 286.400 3.788 30 20 CHED COc1cccc2cc([C@H](C)N[C@@H]3CC[C@H](C#N)C3)oc12 424319057 DJJRXBVLTFKZPU-SGMGOOAPSA-N 284.359 3.784 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccc(C2CCC2)cc1 426100172 ZWIXSDDBKBIHHR-UHFFFAOYSA-N 284.403 3.838 30 20 CHED C=CCN(CCC#N)Cc1c(C)cc(C)c(C(C)=O)c1C 428859534 DQGZCUYKPMTIDV-UHFFFAOYSA-N 284.403 3.716 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)cc(C)c(=O)n2C 430217747 LMNUTUMHKSKVIU-OCCSQVGLSA-N 284.403 3.860 30 20 CHED C=CCC[C@H](C(=O)N1CCO[C@H]2CCC[C@H]21)c1ccccc1 431266078 YXZLMXVTPCPJFO-KSZLIROESA-N 299.414 3.516 30 20 CHED C[C@H](C#N)CN(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1 432116243 KRTQBJFSEXRLQJ-GFCCVEGCSA-N 288.439 3.667 30 20 CHED C=CCC[C@H](C)Nc1cccc(NC(=O)NCC)c1C 433069695 SVANSPPXRXFEGB-LBPRGKRZSA-N 275.396 3.903 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccc(F)cc1C 433725908 CRNCYFKDGXUIIJ-UHFFFAOYSA-N 299.345 3.629 30 20 CHED COc1ccc(C(=O)Nc2ccccc2C#N)cc1C1CC1 435667917 RQQYNYWUVFRRHS-UHFFFAOYSA-N 292.338 3.697 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1 437220248 LUZIDSKOWNNAAJ-JZXOWHBKSA-N 287.403 3.660 30 20 CHED C[C@H](CN(CC#N)C1CCCC1)c1ccc(F)cc1 438095379 INVNRBRFTOCYEE-CYBMUJFWSA-N 260.356 3.697 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1ccc(CC#N)cc1 445885548 LNTXEXCZBRIMLN-AWEZNQCLSA-N 284.325 3.819 30 20 CHED CC(C)C[C@H]1OCCC[C@H]1NC1CCC(C)(C#N)CC1 449258584 QDUWNSSDFQYVRA-JCCCHCCOSA-N 278.440 3.642 30 20 CHED N#Cc1ccnc(N[C@@H](c2ccc(F)cc2)C2CCCC2)n1 450308068 JMOUZDCAOYCGJQ-MRXNPFEDSA-N 296.349 3.831 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1c1cccc(C#N)n1 450605398 ZHJPFMWWKAXYSO-CKEIUWERSA-N 277.371 3.724 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(Cc2cccc3ccccc23)no1 453063121 QCJJYGRFBPHBLY-KZULUSFZSA-N 289.338 3.615 30 20 CHED C=C(C)CCNC(=O)N(C)Cc1cc2ccccc2o1 455312720 PMEXLBBWBPSYSF-UHFFFAOYSA-N 272.348 3.540 30 20 CHED CC[C@]1(C)CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 455928942 VYYJOMSHKLAIJK-LJQANCHMSA-N 298.430 3.776 30 20 CHED C=CCC1(NC(=O)c2cnc3onc(C)c3c2)CCCCC1 456379188 IHXGTXWWYOBKRT-UHFFFAOYSA-N 299.374 3.540 30 20 CHED CC#CCN(C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 457843632 BLPOOAMCOVKJRE-HNNXBMFYSA-N 290.382 3.578 30 20 CHED Cc1ccc(C2CC(NCC(C)(C)CC#N)C2)cc1 459727383 GKJXAOAGKNWESG-UHFFFAOYSA-N 256.393 3.771 30 20 CHED C=CCOCCCc1nc(-c2cccc(Cl)c2F)no1 460518821 FNHREELQZUDJMF-UHFFFAOYSA-N 296.729 3.664 30 20 CHED CC[C@H]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 462126902 PMSMKDPLIYUCFE-CABCVRRESA-N 284.403 3.700 30 20 CHED CC(C)c1cccnc1NC(=O)[C@@H](C)c1cccc(C#N)c1 462250279 WCJRKPLGSQJVJR-ZDUSSCGKSA-N 293.370 3.819 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)CCC1CCCCC1 463715388 NRHSJTXWNJOTML-HNNXBMFYSA-N 281.440 3.834 30 20 CHED CO[C@]1(C)C[C@@H](Nc2ccc(Cl)cc2C#N)C1(C)C 467009081 IYEDLHMDFSBYTL-UKRRQHHQSA-N 278.783 3.827 30 20 CHED C=CCN(CC=C)C(=O)NCC(CC)(CC)CC 469773787 BFLXWNQMTGDOHG-UHFFFAOYSA-N 252.402 3.586 30 20 CHED C[C@H](CCOc1cccc(C#N)c1)OCc1ccccc1 473675464 JHHQUWXEEXYNDI-OAHLLOKOSA-N 281.355 3.932 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CC[C@@H](C)C1 475300578 GZNNUHWSAQEJHJ-HUUCEWRRSA-N 266.429 3.810 30 20 CHED C=CCCCN[C@@H](CO)c1c(Cl)cccc1Cl 483244871 PCGLCTZFEDQJIZ-LBPRGKRZSA-N 274.191 3.583 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCC2 486768048 NAHIPGUAEWSRBN-MRXNPFEDSA-N 270.376 3.748 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)s1 487342309 YCWKNCBRODUPDS-YPMHNXCESA-N 276.405 3.708 30 20 CHED Cc1cccc([C@@H]2CCN(c3ccc(C#N)c(C)n3)C2)c1 488125738 LXMORSQYFVDYCL-QGZVFWFLSA-N 277.371 3.564 30 20 CHED C=CCn1cccc1C(=O)N[C@H](CC)c1ccccc1 488371367 VPXBKRSTRRIRJH-OAHLLOKOSA-N 268.360 3.555 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)[C@H]1CC[C@@H](C)C1 489032738 AZVMMCLMZIMJEH-KDOFPFPSSA-N 286.419 3.504 30 20 CHED Cc1nnc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(C#N)c1C 492329059 KMLQEEBHKFDLDO-RBSFLKMASA-N 284.407 3.736 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(OC)c1 494561305 CBMBRUBHAWIHHC-HIFRSBDPSA-N 288.391 3.506 30 20 CHED C=C(C)CCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 496532318 HIJMFFDQCCQRPQ-CQSZACIVSA-N 288.391 3.602 30 20 CHED C/C=C\c1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc1 497412550 RFUXCPQZVBNZQQ-SCOBNMCVSA-N 283.375 3.876 30 20 CHED CC#CCCNC(=O)Nc1ccc(CCCC)cc1 497667809 FJBGJBBOXOIHIE-UHFFFAOYSA-N 258.365 3.564 30 20 CHED CC[C@@H](C(=O)N(CC#N)c1ccccc1)c1ccccc1 497908889 FHTJGERIXQAGAB-QGZVFWFLSA-N 278.355 3.737 30 20 CHED C=CCN(CC=C)CCOc1ccc(C(F)(F)F)cc1 503969263 KXYBKJLUMJVGIG-UHFFFAOYSA-N 285.309 3.758 30 20 CHED N#Cc1cc(F)ccc1COc1ccc2[nH]ccc2c1 505739105 CVBGZZQPAKFGNG-UHFFFAOYSA-N 266.275 3.758 30 20 CHED C=C(C)CN(CC)Cc1cc(F)cc2cccnc12 505893172 CDPKVUBLPOWSBK-UHFFFAOYSA-N 258.340 3.772 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2ccccc2C#N)C1 507198364 VYDRQIBCPNHDMZ-SFHVURJKSA-N 276.383 3.856 30 20 CHED C=C(C)CCc1noc(-c2ccc3cc[nH]c3c2)n1 508637022 MTZVRUIGMSGOSQ-UHFFFAOYSA-N 253.305 3.727 30 20 CHED CCc1ccc(NCc2cc(C#N)n(C)c2)cc1Cl 512988051 GHOQZDURCCZIQL-UHFFFAOYSA-N 273.767 3.725 30 20 CHED N#Cc1cc2c(nc1NCCCOC1CCCCC1)CCC2 515541102 XCDVYJKGGGQILB-UHFFFAOYSA-N 299.418 3.593 30 20 CHED N#Cc1ccc(Oc2nc(C3CCCC3)ns2)cc1 517728110 FPLMSXCENUGFCD-UHFFFAOYSA-N 271.345 3.860 30 20 CHED C=C(C)CCNc1cnn(-c2cc(C)ccn2)c1CCC 522005106 UUUCIJVQGCWPLX-UHFFFAOYSA-N 284.407 3.906 30 20 CHED C=CCCC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 522572218 ZMPYQJNIPMDNGE-HNNXBMFYSA-N 263.356 3.995 30 20 CHED C=CC[C@H](C)NC(=O)CCSc1ccc(C)c(C)c1 522643287 ODDWQDAAQATWLV-AWEZNQCLSA-N 277.433 3.866 30 20 CHED C=CCCNc1cccc(CCC(=O)OC(C)(C)C)c1 530486670 KUHGHIXHMHWNOM-UHFFFAOYSA-N 275.392 3.949 30 20 CHED C=CCCCC(=O)NCc1ccccc1COC(C)C 530882786 UBQDWVBOHNVKTK-UHFFFAOYSA-N 275.392 3.584 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)cs1 531208860 AAYZUFWOMWLBNG-CHWSQXEVSA-N 276.405 3.708 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 533915132 RVIXVFBFRFVWGV-LRDDRELGSA-N 290.382 3.849 30 20 CHED CCCC[C@H](C)NCCSCc1ccccc1C#N 536858074 PFVXCUBUPMTECY-AWEZNQCLSA-N 276.449 3.960 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 537187537 LWEYNKNRWZXEAI-KCQAQPDRSA-N 290.407 3.947 30 20 CHED C=CCC[C@H](NCC1([C@H](C)CCO)CCC1)C1CC1 537309224 ZGBBEAVLBCDXQN-ZBFHGGJFSA-N 265.441 3.510 30 20 CHED C=CCCOCCN[C@@H]1CC(C)(C)c2ccccc21 537952719 QLFYVQCYMODTFB-MRXNPFEDSA-N 259.393 3.591 30 20 CHED C=CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC1 539035618 SCSYITRDGGHKEU-QLFBSQMISA-N 261.409 3.770 30 20 CHED CC(C)[C@H](NCC1(C#N)CC1)c1ccc(Cl)cc1 539459394 AXGKOTYUWWLHON-AWEZNQCLSA-N 262.784 3.930 30 20 CHED C=CCN(C(=O)N[C@H](CC)c1ccc(C)cc1)C1CC1 540110554 WERSSNISKGEBSB-MRXNPFEDSA-N 272.392 3.806 30 20 CHED C=CCN(C(=O)N[C@@H](c1ccccc1C)C1CC1)C1CC1 540110706 IQHXZJJGHNDLNU-QGZVFWFLSA-N 284.403 3.806 30 20 CHED C=CCC[C@H](NCCOc1ccccc1C)C1CC1 540191241 NSNKPWUPXRPBPP-INIZCTEOSA-N 259.393 3.708 30 20 CHED C=C(CC)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C 540203305 RYXMECRIHQCGPV-UHFFFAOYSA-N 262.353 3.771 30 20 CHED C[C@H](C1CC1)N(C(=O)c1ccc(Cl)c(C#N)c1)C1CC1 546001171 VIXRTIDNHBYPPW-SNVBAGLBSA-N 288.778 3.615 30 20 CHED C=CCCCCN[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 548159019 PBEFKEXSDJJJDP-HKUYNNGSSA-N 286.463 3.843 30 20 CHED C=CCCC[C@H](C)NC(=O)c1sccc1Cl 552427620 KTJAGXBUBLMCCO-VIFPVBQESA-N 257.786 3.876 30 20 CHED Cc1cc(=N[C@@H](c2ccc(F)cc2)C(C)C)cc(C#N)[nH]1 552909679 LQNPRTWPKWFENW-QGZVFWFLSA-N 283.350 3.632 30 20 CHED CC(C)C(CN1CCC[C@]2(CCCCO2)[C@@H]1C#N)C(C)C 556617378 JMEFUMPTTDVTNX-ZWKOTPCHSA-N 292.467 3.842 30 20 CHED CC[C@](C)(C#N)NC(=O)c1sc2ccc(C#N)cc2c1C 559370729 PXGXDFDZRFHTMI-MRXNPFEDSA-N 297.383 3.503 30 20 CHED C=CCCC(=O)Nc1ccc(-c2ncco2)cc1C 560688156 DMUCIDKAKBIZIX-UHFFFAOYSA-N 256.305 3.555 30 20 CHED Cc1csc(NC(=O)N2CCC[C@@H](C)[C@H]2C)c1C#N 565165157 WRLJPCXRVOVEBA-MWLCHTKSSA-N 277.393 3.581 30 20 CHED C=CCC1(CNC(=O)N(C)[C@@H](C)C2CC2)CCCC1 573066771 PZCAWFMGQJYODA-ZDUSSCGKSA-N 264.413 3.563 30 20 CHED C[C@@H](SCC1(C)CCCCC1)C(=O)NC1(C#N)CCC1 574639684 RJAUUMIPBXGZRL-CYBMUJFWSA-N 294.464 3.641 30 20 CHED COc1cccc(C(C)(C)CNc2cc(C)nc(C#N)c2)c1 578136804 DRJLWDOSSLULRF-UHFFFAOYSA-N 295.386 3.660 30 20 CHED CCSc1nnc(SCC(C)(C)CC#N)s1 578767008 NLHKWSDKLNCDGZ-UHFFFAOYSA-N 273.452 3.682 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC[C@@H](C#N)CCC#N 579217598 WZNGXLYDEIHLQS-BZUAXINKSA-N 261.413 3.626 30 20 CHED N#Cc1cc(-c2ccccc2C(=O)O)cc(C(F)(F)F)c1 580776453 UCKCPJRCOADQKM-UHFFFAOYSA-N 291.228 3.942 30 20 CHED CCCN(CC1CC1)C(=O)Nc1scc(C)c1C#N 582793537 GFQCNFLMORKCHX-UHFFFAOYSA-N 277.393 3.582 30 20 CHED CCc1cc(CC)nc(N[C@H]2CCc3cc(C#N)ccc32)n1 588035765 WNPFXQKZUFHGJU-KRWDZBQOSA-N 292.386 3.572 30 20 CHED CCN(C(=O)CCCCCC#N)[C@H]1CCCC[C@H]1C 588909131 NYVPLKLXVYNWEB-CABCVRRESA-N 264.413 3.888 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)C(=O)CCCC#N 589680980 DOJUCQAXVPKTFU-UHFFFAOYSA-N 285.174 3.646 30 20 CHED N#C[C@@H]1CC[C@H](N2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 590166116 PWUQHWWSYCTKBL-YPMHNXCESA-N 299.805 3.872 30 20 CHED Cc1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1C#N 592987328 YFKDPLKMSRNJNV-UHFFFAOYSA-N 293.370 3.913 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(C(C)(C)CC)cc1 593669941 DCSRXPHKMAJQDI-LBPRGKRZSA-N 258.365 3.862 30 20 CHED N#CCCCOc1cccc(N[C@H]2CCCn3ccnc32)c1 594512344 LFYDEMHFQSWVII-INIZCTEOSA-N 296.374 3.513 30 20 CHED Cc1ccc(-n2cnnc2SCC2(CC#N)CC2)c(C)c1 594883652 UJMQAHNHRCMNCT-UHFFFAOYSA-N 298.415 3.670 30 20 CHED CCc1nnc(SCc2ccc(C#N)cc2C)s1 594913776 GAKZGGZCQFLVRW-UHFFFAOYSA-N 275.402 3.573 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@H]1NCc1ccc(C#N)cc1F 595010290 GITUKNZEKBISGG-IJEWVQPXSA-N 272.367 3.612 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1ccc(C#N)c(F)c1 595052159 QZQRDJFGUJPQSE-YCPHGPKFSA-N 272.367 3.612 30 20 CHED CCS[C@H]1CCCCN([C@H](C#N)c2ccccc2)C1 595312676 LKOPFPXZCJROBS-JKSUJKDBSA-N 274.433 3.859 30 20 CHED CC[C@@H](OCCN(C1CC1)[C@H](C)C#N)c1ccccc1 595708970 DEFJYSKSCFCUKW-RHSMWYFYSA-N 272.392 3.531 30 20 CHED COc1ccc([C@@H](C)CSCC2(C#N)CC2)cc1 596378041 BOLYEDNEFZCMKW-LBPRGKRZSA-N 261.390 3.836 30 20 CHED CCCOc1cncc(-c2cc(C#N)ccc2C)c1 596636599 CIYROMVIAYJDAM-UHFFFAOYSA-N 252.317 3.718 30 20 CHED Cc1ccc2sc(C(=O)N(C3CC3)[C@H](C)C#N)cc2c1 598134468 JCRTVNHMGZRDKU-LLVKDONJSA-N 284.384 3.726 30 20 CHED CC(C)(C#N)C[C@H](O)CN1CCCC2(CCCCC2)CC1 598614251 BVNRZSKCPXCCAR-INIZCTEOSA-N 292.467 3.724 30 20 CHED C[C@H](NC(=O)C[C@@H](C)c1ccco1)c1cccc(C#N)c1 599614039 QEAIDRXFLJGRDV-OLZOCXBDSA-N 282.343 3.522 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2ccc(C#N)cc2)C1 600226273 MAZZNHSKLOFUJY-UHFFFAOYSA-N 270.376 3.599 30 20 CHED Cc1nc2c(NC(=O)[C@]3(C#N)CC34CCCC4)cccc2o1 601619220 ARSAFZHXVWBQSW-QGZVFWFLSA-N 295.342 3.549 30 20 CHED Cc1sccc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 601823864 DRQUQBKTRHIKRQ-NSHDSACASA-N 284.384 3.746 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2c2ccccc2Cl)n1 602438593 DNDUPVCXTYIZAS-KRWDZBQOSA-N 297.789 3.944 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H]1c1cccc(F)c1 602440204 OWXBKBUJUZRFDF-BBRMVZONSA-N 260.356 3.902 30 20 CHED CCOc1cc(F)ccc1NC[C@@H](C)CCC#N 602491458 HKAOBNUPRXTQHX-NSHDSACASA-N 250.317 3.576 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](C)CCC#N 602656894 VDGLOIKZZRLRKW-MRXNPFEDSA-N 288.439 3.782 30 20 CHED C[C@H](CCC#N)CN[C@H]1c2ccccc2CC12CCOCC2 602667212 NQJIEERCECFADX-QAPCUYQASA-N 298.430 3.610 30 20 CHED COc1cccc(C=C2CCN(CC3(CC#N)CC3)CC2)c1 602781892 BZNLFBMDXPJJQW-UHFFFAOYSA-N 296.414 3.868 30 20 CHED CC[C@@](C)(NCC1(CC#N)CC1)c1ccc(F)cc1 602925508 XMXLVLZKFURDQV-OAHLLOKOSA-N 260.356 3.734 30 20 CHED CCCCc1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 604465623 UYLWIKDJXKKGHS-UHFFFAOYSA-N 270.376 3.547 30 20 CHED C=CCCN1CCC(c2ccc(F)c(F)c2)CC1 606898052 ZZFLGDRPFWPCDT-UHFFFAOYSA-N 251.320 3.720 30 20 CHED C=CCCN1CCCN(CCC=C)c2ccccc21 608564252 KGEMQMDHGPBUEY-UHFFFAOYSA-N 256.393 3.855 30 20 CHED C=CCCCS[C@H](C)C(=O)NC1CCCCC1 609805249 ZQRPRUYGHFCBJC-GFCCVEGCSA-N 255.427 3.523 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1cc(C#N)ccc1F 610004193 DYBGAFAKMFSPKD-GFCCVEGCSA-N 298.336 3.956 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1C(F)(F)F 610577555 LIJJUODAVOKJRV-NWDGAFQWSA-N 294.276 3.562 30 20 CHED C[C@H](Cc1ccncc1)N[C@@H]1CCCc2cc(C#N)ccc21 611393797 MBZAHBCBDVQUAP-AUUYWEPGSA-N 291.398 3.551 30 20 CHED CC(C)(C)c1csc(CN2CCC[C@@](C)(C#N)C2)n1 612158641 NKIAVWMETSJQJK-HNNXBMFYSA-N 277.437 3.566 30 20 CHED C[C@]1(C#N)CCCN([C@H]2CCCc3ccccc32)C1 612166516 XCUZOGUDLOZZMQ-DLBZAZTESA-N 254.377 3.690 30 20 CHED C[C@@H](NC(=O)N[C@@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 615475105 OHCUYOIYNVSZLK-CZUORRHYSA-N 299.418 3.887 30 20 CHED C=CCCNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C 617614092 LUKZNHXAHVZKSK-UHFFFAOYSA-N 297.402 3.610 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2coc3ccccc23)C1 617779279 YDGWPEJRKRDONW-AWEZNQCLSA-N 283.371 3.790 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)c2c(F)cccc2F)C1 617782119 YVKTXSKDUQIMPV-QWHCGFSZSA-N 293.357 3.883 30 20 CHED C=CCCC(C)(C)NC(=O)c1cncc(C(F)(F)F)c1 620856965 HTHLUNGCKPQAOK-UHFFFAOYSA-N 286.297 3.575 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(F)c(C)cc1F 620858696 OWGOICJSSRWBTC-UHFFFAOYSA-N 267.319 3.748 30 20 CHED C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)C1 624377852 BPFSCCUVSBUPKM-DJIMGWMZSA-N 284.403 3.540 30 20 CHED Cc1ccsc1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 647371551 SWPVEHDNQURACK-SNVBAGLBSA-N 288.397 3.881 30 20 CHED C=CCC1(C(=O)N[C@H]2CCS[C@H]2C)CCCCC1 648677670 RYNKSXODOVCILA-STQMWFEESA-N 267.438 3.523 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnc(OC(C)C)c(Cl)c1 684939860 XCONHQSXOOBCSG-LBPRGKRZSA-N 296.798 3.607 30 20 CHED Cc1ccc(C[C@@H](C)N[C@@H](C)CC(C)(C)C#N)s1 695811094 OCLFQKAKYVKZFJ-NEPJUHHUSA-N 264.438 3.906 30 20 CHED C#CCCCCNC(=O)c1cc2c(F)cccc2s1 700604769 AZHPBSHDNIZLHZ-UHFFFAOYSA-N 275.348 3.574 30 20 CHED N#CCc1ccc(NC(=O)C23CCC(CC2)CC3)cc1 710086692 MRHCHEYWIUOPCZ-UHFFFAOYSA-N 268.360 3.662 30 20 CHED CC(C)CCCNC(=S)Nc1ccc(C#N)c(Cl)c1 726455286 LLALHRGNYBIPFD-UHFFFAOYSA-N 295.839 3.934 30 20 CHED C=C(C)COC(=O)[C@@H](OC1CCCC1)c1ccccc1 727017998 QFTMAHNSVSWVIS-INIZCTEOSA-N 274.360 3.806 30 20 CHED CCCC(Cc1ccccc1)=NNc1nc(C)cc(C)n1 727252456 ZBVPGYCMAALYFW-UHFFFAOYSA-N 282.391 3.904 30 20 CHED Cc1ccc(CC(=O)OCc2ccc(F)cc2C#N)cc1C 728615947 JOHICJXIMFIGFB-UHFFFAOYSA-N 297.329 3.600 30 20 CHED Cc1ccc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)nn1 729935857 SXQBYKGKJIEREI-QWHCGFSZSA-N 258.369 3.543 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)C=C1CCCC1 730936246 CTVAJQGPBUOPSY-UHFFFAOYSA-N 271.364 3.554 30 20 CHED N#CCOc1ccc(CSc2ccc(C#N)cc2)cc1 731157993 NYXDGDHWHBRMDO-UHFFFAOYSA-N 280.352 3.753 30 20 CHED C=CCOC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C 732840089 GCMLSIAEWJCGAD-ZDUSSCGKSA-N 297.354 3.574 30 20 CHED C=CCCC(=O)OCCc1ccc2ccccc2c1 733861899 SDEZIVJORHGNNL-UHFFFAOYSA-N 254.329 3.892 30 20 CHED C#CCOc1ccccc1CNC(=O)C[C@H]1CCC[C@@H](C)C1 734104166 HBZVWGHAAZRKEA-CVEARBPZSA-N 299.414 3.531 30 20 CHED CC[C@H](C)c1ccc(NC(=O)CON=C2CCC2)cc1 735490447 XJYWEKUJOJLPLR-LBPRGKRZSA-N 274.364 3.695 30 20 CHED Cc1ccc2[nH]cc(C=NNc3ccccc3[N+](=O)[O-])c2c1 735609723 ZAJBJIYRADKXEF-UHFFFAOYSA-N 294.314 3.831 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2ccc(CC)cc2)c1 741558520 IEHVYGXYDYZLTN-UHFFFAOYSA-N 291.394 3.826 30 20 CHED COCc1ccc(C=NNc2nccc3sccc23)cc1 741762026 UZQDRESDEQWIST-UHFFFAOYSA-N 297.383 3.889 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2ccc(C)nn2)cc1 741841693 DRAAEBZIJPZEOC-HNNXBMFYSA-N 280.375 3.829 30 20 CHED CCOCCCON=Cc1c(CC)oc2ccccc12 742351105 GWVVEXQUUBMPNF-UHFFFAOYSA-N 275.348 3.772 30 20 CHED COc1ccccc1C(C)=NNc1ccc(Cl)nc1 743450546 LYWKCPDAZCVJIF-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(C)c1ccc2c(c1)C(=NOCc1cccnc1)CCO2 746576404 JFOREIQAQVJUHH-UHFFFAOYSA-N 296.370 3.908 30 20 CHED C(=NNc1cccc2ccccc12)c1cn2ccccc2n1 747060468 RZPFHOBIFRAUOE-UHFFFAOYSA-N 286.338 3.934 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C2CCSCC2)n1 747193650 LLOGDRCBMUIALI-NSHDSACASA-N 294.445 3.586 30 20 CHED C=C(C)CCOC(=O)C[C@@H](C)c1ccc(F)cc1F 752510020 WWEPWFWJFGBPIV-LLVKDONJSA-N 268.303 3.968 30 20 CHED Cc1cccc(C)c1/C=C\C(=O)c1cc(O)ccc1O 755598681 KUNSQFBSCIMWKE-CLFYSBASSA-N 268.312 3.611 30 20 CHED C#CCSCCN[C@@H](C)c1cc2ccc(C)cc2o1 756041962 NWILVTGKCLZXFV-ZDUSSCGKSA-N 273.401 3.758 30 20 CHED C=CCCC(CC)=NNc1ccc(C(=O)O)cc1OC 756906203 UKUONUOOGHSRRG-UHFFFAOYSA-N 276.336 3.538 30 20 CHED CC(=NNC1CC1)c1ccc(N2CCCCCC2)cc1 758128475 YRFVCEJYQNXZGL-UHFFFAOYSA-N 271.408 3.543 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H]1CCCc2ccccc21 758880535 XCGGDQYNNAXNLT-QGZVFWFLSA-N 284.403 3.509 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1cccc([N+](=O)[O-])c1 759069767 BZAHOIWIHIJSKE-SNAWJCMRSA-N 294.719 3.601 30 20 CHED C=C(Cl)CNC(=O)/C(C)=C/c1cccc(Cl)c1 759133630 HPXMKPSXEAZUSL-RMKNXTFCSA-N 270.159 3.612 30 20 CHED CCOc1ccccc1C=NOCc1cnc(Cl)s1 760330397 INOZOHCPBICCDP-UHFFFAOYSA-N 296.779 3.746 30 20 CHED O=C(/C=C\c1c(Cl)oc2ccccc12)c1cnccn1 761204601 JDYVNFOWJSKQIN-WAYWQWQTSA-N 284.702 3.772 30 20 CHED C#CCCc1noc(-c2cc3c(F)cccc3s2)n1 762013219 DCFUWKJRRAPPAR-UHFFFAOYSA-N 272.304 3.656 30 20 CHED CC[C@@H](C)c1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1 763908351 KFLDCCWKVGRXGF-CYBMUJFWSA-N 293.370 3.913 30 20 CHED Cc1ccc(N(C)C(=O)[C@H](C#N)CCc2ccccc2)cc1 764472792 NOBKBZYLBWFPLO-KRWDZBQOSA-N 292.382 3.730 30 20 CHED CCCCCCC[S@@](=O)c1ccccc1OC 764551045 BOMQJJSGUAGQNZ-QGZVFWFLSA-N 254.395 3.773 30 20 CHED C/C(=C\C(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 765133878 SZDIYTAVJKYKBU-GRNBYLDVSA-N 282.387 3.631 30 20 CHED C(C[C@@H]1CCOC1)=NN=C(c1ccccc1)c1ccccc1 765547680 DNPCSKSLJZJRHP-MRXNPFEDSA-N 292.382 3.936 30 20 CHED C#Cc1cccc(NC/C=C/c2ccc(F)cc2)c1 766444789 RDOKXNYKNKVJOD-GQCTYLIASA-N 251.304 3.932 30 20 CHED Oc1ccccc1/C=N\[C@H]1CCCc2sccc21 767335872 BPDFJXFARSCMLQ-ATTDUZETSA-N 257.358 3.950 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc(F)cc1Cl 767742711 CXMZZPBIZMCBJA-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccc(Cl)nc2)C1 768367512 QCCCMHGVQZFYGH-WDEREUQCSA-N 251.761 3.959 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Oc2ccc(C#N)cc2F)C1 769738064 BXVMBWAZELZJAL-RYUDHWBXSA-N 275.323 3.819 30 20 CHED CCn1nc(C=NNc2cccc(OC)c2)c2ccccc21 769776943 GVGKPGULKCVKSQ-UHFFFAOYSA-N 294.358 3.511 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(OCCC)c(Cl)c1 770246207 QPXDFPHJRXUINW-LLVKDONJSA-N 294.782 3.614 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 770942781 GMEVRXPWIXGSIN-LBPRGKRZSA-N 296.370 3.753 30 20 CHED C#CCOc1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1 771457502 LYTKANZZKOBVQH-MRXNPFEDSA-N 298.386 3.543 30 20 CHED C#CCCCCCc1nc(-c2ncccc2SC)no1 771475394 TYGHPMKAZQIWTD-UHFFFAOYSA-N 287.388 3.590 30 20 CHED C=C(CC)COC(=O)Cc1nc(-c2cccs2)oc1C 773497307 MVWAURCCVFDWDY-UHFFFAOYSA-N 291.372 3.763 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)c1ccc(N(C)C)cc1 773908038 YEFSTQFIQCIVIH-CQLSMYGBSA-N 298.386 3.647 30 20 CHED CC(C)Cn1ccc2c(C(=O)O[C@@H](C#N)C3CC3)cccc21 774123129 NCKNNSQMEXMDRM-KRWDZBQOSA-N 296.370 3.756 30 20 CHED CC[C@@H](C)Oc1ccccc1/C=C\C(=O)OCC1(C#N)CC1 775857272 QAFZVCXNURKYJB-QIAWRQBBSA-N 299.370 3.724 30 20 CHED N#C[C@@H](OC(=O)c1cc2c(s1)CCC2)C1CCCCC1 776355097 RJJSRFQXWSWSOJ-CYBMUJFWSA-N 289.400 3.866 30 20 CHED Cc1ccc(COC(=O)c2cccc(F)c2C#N)cc1F 777790486 YAGDAXGBPHENCB-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1ccc(F)cc1C=NNCc1cnc2ccccc2c1 777889849 XXZMFQAESXUUBF-UHFFFAOYSA-N 293.345 3.806 30 20 CHED C=C(C)CN(C)C(=S)Nc1cccc(Br)c1 777917701 AVVZUURXVFSUOA-UHFFFAOYSA-N 299.237 3.654 30 20 CHED C[C@@H](OC(=O)[C@H](F)Cc1ccccc1)c1cccc(C#N)c1 778301943 VMZZZJUSZGTWDN-CXAGYDPISA-N 297.329 3.743 30 20 CHED CCC(=NNCCOC(C)C)c1c(F)cccc1Cl 778547393 GJALGBYOCOBNOC-UHFFFAOYSA-N 286.778 3.608 30 20 CHED CC1(c2ccccc2)CCC(=NN=c2cc[nH]cc2)CC1 779808470 AAYLVTCZQQAGCY-UHFFFAOYSA-N 279.387 3.803 30 20 CHED CC(=NNc1ncncc1Cl)c1ccc(C)c(C)c1 780283459 XNUIHKFYHWJUHP-UHFFFAOYSA-N 274.755 3.583 30 20 CHED N#CCC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 781925775 ACJWIMDZSFSGCS-UHFFFAOYSA-N 299.201 3.825 30 20 CHED COc1ccc(NN=C(C)[C@H](OC)c2ccccc2)cc1 782253972 KOKYLTFBFLDDFE-KRWDZBQOSA-N 284.359 3.871 30 20 CHED CCOc1c(Cl)cccc1C=NNc1ccnc(F)c1 782267664 HCICTOGNJOFXPQ-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C#CCOc1ccc(NC(=O)c2cccc(Cl)c2C)cc1 783350525 LNZAKYUYJPHNBB-UHFFFAOYSA-N 299.757 3.913 30 20 CHED CC(C)Oc1c(F)cc(NCc2ccc(C#N)o2)cc1F 784616572 MUCKSSOTTGGFGR-UHFFFAOYSA-N 292.285 3.829 30 20 CHED CC(C)(C#N)CC(=O)O[C@H]1CCc2c(Cl)cccc21 786404749 FDPWUQACAHOMMC-ZDUSSCGKSA-N 277.751 3.810 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(F)c(Cl)c1 787792089 VQWFGMUAGVMNIT-UHFFFAOYSA-N 268.715 3.572 30 20 CHED C#CCC1(C(=O)N2CCCC(C)(C)C2)CCCCC1 788214226 VLCORTISWDMQHZ-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cc1)c1cn[nH]c1 789033901 KLPNCNYXWFJLMA-UHFFFAOYSA-N 282.269 3.655 30 20 CHED Cc1ccc([C@H]2CCCC2=NNCCc2ccncc2)cc1 789098190 PYOFVSLZIKXQPE-GOSISDBHSA-N 293.414 3.846 30 20 CHED N#CCCCCOC(=O)c1ccc(C2CCC2)cc1 791613635 RLZJYQWVMUPNGP-UHFFFAOYSA-N 257.333 3.805 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(OCC#N)c1 793087137 FDLUEXYEIFHQNL-BBRMVZONSA-N 286.375 3.744 30 20 CHED CC1(C)CCC(C=NNCCC(F)(F)F)CC1 794545552 MGCXRICKKNPJAH-UHFFFAOYSA-N 250.308 3.731 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc(-c2ccccc2)o1 794703779 XMJAOUIVZFTPBE-CMDGGOBGSA-N 292.338 3.885 30 20 CHED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccnc(F)c1 794720082 PUDRPNLBRHSXLY-OWOJBTEDSA-N 281.208 3.534 30 20 CHED FCC[C@H]1CCCC1=NNCCCc1ccccc1 794909390 QFHGEWXOUOBBGR-OAHLLOKOSA-N 262.372 3.725 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C(C)C)oc2C)c1 794943836 FABABTXNBMDTQP-UHFFFAOYSA-N 267.328 3.945 30 20 CHED C=CCCCCNC(=S)NCCCCC(F)(F)F 794992041 UWLYNGWYOFANMF-UHFFFAOYSA-N 282.375 3.539 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)no1 798231991 YFYAKTPSRJFCND-AATRIKPKSA-N 276.361 3.633 30 20 CHED Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](C)C2)cc1C#N 799296968 KBVNXVODBFRTAM-AWEZNQCLSA-N 290.366 3.626 30 20 CHED CCc1cc(C#N)ccc1OC(=O)/C=C\c1scnc1C 799444875 ZWVHWXUAFMJFDU-SREVYHEPSA-N 298.367 3.504 30 20 CHED CC(C)(C)c1ccc(NN=C2CC(=O)N3CCCC[C@H]23)cc1 799485720 UUBDLDWTOPMHRH-MRXNPFEDSA-N 299.418 3.537 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc3c2OCO3)oc1C 799895128 MIQJRCFLXCXMJA-SREVYHEPSA-N 270.284 3.521 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1nccn1-c1ccccc1 803072096 FZQFMKOGVPWINT-HNNXBMFYSA-N 296.370 3.670 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1cnccc1C#N 805167870 IRHWSYKDYPGVSS-HOCLYGCPSA-N 299.418 3.536 30 20 CHED C=CCCCCCCCNCc1c(C)nn(C)c1C 810160522 KAWNIRDWSJORJM-UHFFFAOYSA-N 263.429 3.653 30 20 CHED C#Cc1ccc(C(=O)Nc2cccc(C3CCC3)c2)cn1 812663354 ZRNHVBWFGJHRLT-UHFFFAOYSA-N 276.339 3.583 30 20 CHED Cc1nc(N[C@@H]2CCCc3cn(C(C)C)nc32)ccc1C#N 813599588 VDIGUZHNZJHHDK-OAHLLOKOSA-N 295.390 3.529 30 20 CHED Cc1nc2scc(C3CC3)n2c1C=NOCCC1CC1 814247107 RJBBFHSEUBLGAQ-UHFFFAOYSA-N 289.404 3.732 30 20 CHED CC(=NNc1ccccc1Cl)c1csc(C(=O)O)c1 814690895 DAJPQHJDFAMYHR-UHFFFAOYSA-N 294.763 3.936 30 20 CHED CC(C)c1cnc(C=NNc2nncc3ccccc23)s1 814705673 JPGWUOOWIYLTTK-UHFFFAOYSA-N 297.387 3.656 30 20 CHED C=CCC(F)(F)C(=O)Oc1cccc(Br)c1 814812403 UJOWNPQHHBZNRQ-UHFFFAOYSA-N 291.091 3.566 30 20 CHED CC(=NNc1cccc(F)c1F)c1ccc(C)nc1C 814858886 GQNPCIDPHPGTNB-UHFFFAOYSA-N 275.302 3.813 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](CCC)c1ccccc1 814869770 CSXWXRNKKXZDBK-CYBMUJFWSA-N 267.319 3.855 30 20 CHED c1cc2c3c(c1)C(=NOC1CCCC1)CC[C@H]3CN2 814894350 LBWGMTHUDKFYMN-NSHDSACASA-N 256.349 3.653 30 20 CHED COc1ccc(NN=C[C@@H](C)C2CCCCC2)nc1 814908846 DSKDBTPVQRAABK-GFCCVEGCSA-N 261.369 3.704 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814937917 RQLFMKSXJNFOJF-UPJWGTAASA-N 282.428 3.524 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@@H]2CCCC2(C)C)cc1 815164696 ZPFNPPMVFFDWKY-ZBFHGGJFSA-N 286.419 3.893 30 20 CHED CC(C)c1ccc(C(=O)OCCOCCC#N)cc1Cl 815236555 AZKZXMCQQNGLDP-UHFFFAOYSA-N 295.766 3.550 30 20 CHED C=CC[C@@H](N[C@@H]1CCc2cccnc2CC1)c1ccncc1 817577128 DRABAABIAUZAFA-IEBWSBKVSA-N 293.414 3.631 30 20 CHED N#Cc1c(F)cccc1OCC[C@H]1CC1(Cl)Cl 818080548 AWEWRGNOTPLFSL-QMMMGPOBSA-N 274.122 3.660 30 20 CHED C=CCCC[C@@H](C)NC(=O)CC[C@@H]1CC1(Cl)Cl 831732489 KOELVRAHTHWIQM-GHMZBOCLSA-N 278.223 3.821 30 20 CHED COCC1CCC(=NNc2cc([N+](=O)[O-])ccc2C)CC1 834947966 ILHODRUNMASXGL-UHFFFAOYSA-N 291.351 3.508 30 20 CHED CCC(CC)CNN=C1CCC(CSC)CC1 834973615 YPYDDRHRZYIPBW-UHFFFAOYSA-N 256.459 3.921 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCC[C@H]2c2ccc(F)cc2)o1 835539584 YGXKAQSIEMGAMM-LSDHHAIUSA-N 299.301 3.783 30 20 CHED C=CCCCCCCNC(=O)C(C)(C)C1CCC(O)CC1 841436242 MSLTZKWZLYQJST-UHFFFAOYSA-N 295.467 3.816 30 20 CHED C=COc1ccc(NCCCC2(C#N)CCOCC2)cc1 841702034 WOCMFOURVNURMH-UHFFFAOYSA-N 286.375 3.721 30 20 CHED Cc1nc(C(C)C)ccc1COc1cccc(OCC#N)c1 842110977 UPIUBHLADYPEJM-UHFFFAOYSA-N 296.370 3.995 30 20 CHED CC[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(F)(F)F 842370175 QKGOASCRGOFSKX-YNEHKIRRSA-N 297.276 3.546 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(CO)cc1 842895356 NEKZDCFYGNBXLJ-HNNXBMFYSA-N 261.409 3.794 30 20 CHED C=CCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842942115 WFKWUBCVRPKYTP-NSHDSACASA-N 260.362 3.553 30 20 CHED CCCc1ccc(CCCC(=O)N2CCC(C#N)CC2)cc1 843778974 MPBMGCIKYPASGC-UHFFFAOYSA-N 298.430 3.724 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 845639529 QUCKDUSBXCTMPK-KGLIPLIRSA-N 276.380 3.512 30 20 CHED C=C[C@@H](C)ONC(=O)c1ccccc1NC1CCCCC1 846552920 SNTVELNTFZTHCZ-CYBMUJFWSA-N 288.391 3.667 30 20 CHED CCCC[C@@](C)(F)C(=O)[C@@H](C#N)c1nc(C)cs1 850737371 UJIOLWRBGKEZGO-ZWNOBZJWSA-N 268.357 3.546 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cccc(Cl)c1F 851208783 DKZVGNMHQAVKRK-SECBINFHSA-N 283.730 3.964 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C(C)(C)c1ccccc1 851211925 FLYBSHMPJFXXPA-CYBMUJFWSA-N 273.376 3.836 30 20 CHED C=C[C@H](OC(=O)c1ocnc1C1CC1)c1ccccc1 851452724 WCJJPNUZPYBLIG-ZDUSSCGKSA-N 269.300 3.636 30 20 CHED CC(=NNc1cc(F)cc(Cl)c1)C1CCN(C)CC1 853395845 NDIVSXWGKNXBRC-UHFFFAOYSA-N 283.778 3.609 30 20 CHED C[C@H](C#N)N(C(=O)c1cc2cccc(Cl)c2o1)C1CC1 855582767 OCRYFQDSJGYBNZ-SECBINFHSA-N 288.734 3.603 30 20 CHED C=CCCONC(=O)CCc1c(Cl)cccc1Cl 856028026 KDGCLBPFUPIGAR-UHFFFAOYSA-N 288.174 3.550 30 20 CHED C=CC1CCN(C(=O)/C=C/c2ccc(SC)s2)CC1 859329336 OXLLLULPNWHRTR-GQCTYLIASA-N 293.457 3.908 30 20 CHED CCCCCCCNC(=O)CCc1c(C)noc1Cl 862359811 QNDMPZBUIQGKIF-UHFFFAOYSA-N 286.803 3.656 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C\c2cn(C)cn2)cc1 863197284 NJZFHXUPTBFMLR-XPSMFNQNSA-N 268.360 3.830 30 20 CHED Cc1ccc(CSCC2(C#N)CCC2)cc1[N+](=O)[O-] 865282696 BIGPLWCZCFUUHR-UHFFFAOYSA-N 276.361 3.830 30 20 CHED CC(C)c1ncsc1NC(=O)c1ccccc1CC#N 868745669 LENLLXZDBPCRKA-UHFFFAOYSA-N 285.372 3.585 30 20 CHED CCC[C@H](CC)C(=O)Nc1nc(C)c(SCC#N)s1 874266920 UHVJLNKVVSFDSZ-JTQLQIEISA-N 297.449 3.832 30 20 CHED CN(C(=O)[C@H]1CC12CCCC2)c1ccc(C#N)c(Cl)c1 876167781 XVUHELSEUDMVIO-CYBMUJFWSA-N 288.778 3.755 30 20 CHED CCCCN(Cc1ccccc1O)C[C@@H](C)CCC#N 877503166 DDWAXTGASDNUTB-HNNXBMFYSA-N 274.408 3.934 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1c1cccc(C)n1 879186847 LZFWQOVQJDZGLG-HNNXBMFYSA-N 272.392 3.656 30 20 CHED Cc1cc(C#N)ccc1N[C@H](CCCO)c1ccccc1 892654335 JJKFEGCGYAFRRK-GOSISDBHSA-N 280.371 3.792 30 20 CHED N#CCCCOc1cccc(CN2CCC[C@@H](CF)C2)c1 895545085 AXSHIPLQMSHYEN-INIZCTEOSA-N 290.382 3.551 30 20 CHED N#C[C@H]1CCCN(c2ccnc3ccc(Cl)cc23)C1 895659135 OOJBBYRGKMWOFA-LLVKDONJSA-N 271.751 3.628 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cnn(C3CCC3)c2)c1 899364089 WZWFLKPRJBFQSU-SOFGYWHQSA-N 282.343 3.518 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 899591322 YGKTWFCMKODZDB-HNNXBMFYSA-N 293.451 3.523 30 20 CHED O=C([C@@H]1CC=CCC1)N(O)Cc1cccc2ccccc12 900091866 QOBQPRWMNVQIAV-OAHLLOKOSA-N 281.355 3.914 30 20 CHED CCCCCC[C@H](C)NN=Cc1c(C)noc1CC 901194146 FWQMUJIOSMQGIM-LBPRGKRZSA-N 265.401 3.828 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(O)Cc1ccc(F)cc1 901372318 BYNNAHSEAPHULC-UKRRQHHQSA-N 279.355 3.760 30 20 CHED CCc1ncc(CON=C(C)c2cc3ccccc3o2)o1 902688165 ZHZPUQLUNVXQJV-UHFFFAOYSA-N 284.315 3.924 30 20 CHED COc1ccc(CSC)cc1-c1cc(C)nc(C#N)c1 904830550 ANVJJOVXYSDXEO-UHFFFAOYSA-N 284.384 3.800 30 20 CHED C=CCC(C)(C)c1nc(COc2ccc(Cl)nc2)no1 906127330 RTASFSOGHQVGTP-UHFFFAOYSA-N 293.754 3.551 30 20 CHED Cc1cc(C=NNc2ccc(Br)cc2)c(C)[nH]1 912828166 VNDZFIGXLAAISK-UHFFFAOYSA-N 292.180 3.840 30 20 CHED C=CCOC(=O)c1cc2c(ccc3ccccc32)[nH]1 913204124 SOEVNKJRLHCRCQ-UHFFFAOYSA-N 251.285 3.664 30 20 CHED CCCCCN(C(=O)/C=C/c1ccccc1C#N)C(C)C 914726580 OHAJPPIEKAVFFA-VAWYXSNFSA-N 284.403 3.999 30 20 CHED CCCC(C)=NNc1ccc(Cl)cc1[N+](=O)[O-] 915975585 JYLHFRAFRMIXGV-UHFFFAOYSA-N 255.705 3.836 30 20 CHED CCCCCCCCCCn1nccc1[N+](=O)[O-] 918162103 RKSUWWQSHLJINT-UHFFFAOYSA-N 253.346 3.932 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CC[C@H]1c1ccccc1 918573557 XUDXWNVCSZWKHR-LENZSSGSSA-N 288.350 3.545 30 20 CHED CCOc1ccc(C=Nc2cc(F)ccc2C)c(O)c1 920942877 SGLFLPDZUPAQRR-UHFFFAOYSA-N 273.307 3.989 30 20 CHED N#CCCCCOC(=O)c1ccnc2cc(Cl)ccc12 924290740 GVAYBUVIPQBPRE-UHFFFAOYSA-N 288.734 3.739 30 20 CHED CN(CCCCC1(C#N)CCC1)CC[C@@H]1CCCCN1C 929722339 MFDNGJWGEJPOAI-KRWDZBQOSA-N 291.483 3.657 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(OC(C)(C)C)c1 934049112 FQWDXBAWROJOEN-GFCCVEGCSA-N 289.379 3.678 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 935774043 WYJIMZNAUGQLGS-TWMKSMIVSA-N 293.451 3.521 30 20 CHED Cc1ccc(C=NNc2ccc(C(C)(C)C)nn2)cc1 1116090213 LCVGSFYBZWGJGX-UHFFFAOYSA-N 268.364 3.529 30 20 CHED CCC(CC)CN(CC)C(=O)CC#Cc1ccccc1 1116269660 GDFXTDFDXOFZNM-UHFFFAOYSA-N 271.404 3.713 30 20 CHED COc1ccc(NN=Cc2nc(-c3ccccc3)c[nH]2)cc1 1116357290 PTAKBDYUTKQCTN-UHFFFAOYSA-N 292.342 3.531 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cnn(C2CCC2)c1 1123538192 WDYGEEMYXLUGEA-CQSZACIVSA-N 288.395 3.571 30 20 CHED C=C[C@H](COC)NC(=O)Nc1ccc(-c2ccccc2)cc1 1255013534 MTOSSWSOWZNVGH-MRXNPFEDSA-N 296.370 3.676 30 20 CHED N#CC1(Cc2nnc(CC3CCCC3)o2)CCCCC1 1258656154 VMOHPTRMGLSWLF-UHFFFAOYSA-N 273.380 3.819 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ccccc1)C1CCOCC1 1262609819 YLMGTSWIHPUUFP-SFHVURJKSA-N 287.403 3.627 30 20 CHED C=C(CC)C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 1263711685 ITXNBSDNHFZNCO-UHFFFAOYSA-N 269.348 3.598 30 20 CHED CCc1ccc(CN(C)c2nc(C#N)c(Cl)s2)cc1 1306913986 ZWSFALJTXHNWBX-UHFFFAOYSA-N 291.807 3.867 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1F 1319686777 PRJLGJKRHVMKAE-SOFGYWHQSA-N 281.286 3.602 30 20 CHED CC#CCSCc1ccc(OCc2ccccn2)cc1 1320260672 ZGZRYAWELMWHSJ-UHFFFAOYSA-N 283.396 3.917 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cc2cccc(OC)c2o1 1320629296 HALOBOGHIQXQEI-KRWDZBQOSA-N 287.359 3.660 30 20 CHED C=C[C@@H](COC)N[C@@H](CCC)CCc1ccccc1 1321241047 MFSXXZNIGLIGDQ-IRXDYDNUSA-N 261.409 3.579 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1csc(C#N)c1 1324412556 LJXGPKNOJRFPPH-WBMJQRKESA-N 296.395 3.638 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)CC#Cc1ccccc1 1325609961 CNVMQNKPGFPNSK-IRXDYDNUSA-N 283.415 3.759 30 20 CHED Cc1ccc(-c2cccc(C=NNc3ccn(C)n3)c2)cc1 1326241468 IZPDZCFQULNTJW-UHFFFAOYSA-N 290.370 3.842 30 20 CHED CCCC(C)(C)c1nnc(COc2ccc(C#N)cc2)o1 1330074193 JKOXSVZCIPLPHM-UHFFFAOYSA-N 285.347 3.598 30 20 CHED C[C@H](N[C@H]1CCC[C@H](F)C1)c1ccc(OCC#N)cc1 1332340922 SJSDOXUULNKNNS-QEJZJMRPSA-N 276.355 3.520 30 20 CHED N#CC1(CCCCN2CCC([C@@H]3CCOC3)CC2)CCC1 1335759563 PBIFCQKOFYUEIN-QGZVFWFLSA-N 290.451 3.599 30 20 CHED COc1cc(O)ccc1/C=C/C(=O)c1c[nH]c2ccccc12 1337376702 LKVYGRXZOPBMAO-VQHVLOKHSA-N 293.322 3.778 30 20 CHED CCCC[C@H](C)c1nnc(COc2ccc(C#N)cc2)o1 1348920010 WKXBNBGKKOJKKX-LBPRGKRZSA-N 285.347 3.814 30 20 CHED C[C@H]1CC=C(c2nnc(COc3ccccc3C#N)o2)CC1 1349964941 PCSXAEMADZDQST-LBPRGKRZSA-N 295.342 3.724 30 20 CHED C=C[C@H](OC(=O)c1cnc(C2CC2)o1)c1ccccc1 1353510081 RHNQMTHQQBBYJE-ZDUSSCGKSA-N 269.300 3.636 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2cc(C#N)ccc2F)c1 1466789506 YMBPHOMZHDIJGZ-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CC(C)CC(C)(C)CNC(=O)Nc1sccc1C#N 1476829455 XIUKKIMHJGEYPX-UHFFFAOYSA-N 279.409 3.814 30 20 CHED C=C(CC)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 1520812399 CSWHVJKNRJJCDC-UHFFFAOYSA-N 270.332 3.863 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@@H]1CCC)c1ccncc1 1527473813 JITCLNSKLQYTAT-HOTGVXAUSA-N 287.407 3.673 30 20 CHED N#Cc1ccc(F)c(NC(=O)C/C=C\c2ccc(F)cc2)c1 1528456246 JEXHJCCRILDJNQ-UPHRSURJSA-N 298.292 3.878 30 20 CHED Cc1ccc(C(=O)N2CC(C)(C)CCC2(C)C)cc1C#N 1533361595 VXPXKYWRHHWOKJ-UHFFFAOYSA-N 284.403 3.908 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C2(C3CCCCC3)CC2)C1 1535479536 TZCLZGSQPMDSKJ-DZGCQCFKSA-N 275.392 3.972 30 20 CHED CCC1(CNc2ncc(C#N)cc2F)CCCCC1 1559160448 RQKDAMLWKUCFOA-UHFFFAOYSA-N 261.344 3.865 30 20 CHED C[C@H]1C[C@@H](C)CN(CCSc2ccc(C#N)cc2)C1 1559362210 WPYRIEAIEFBFBT-OKILXGFUSA-N 274.433 3.628 30 20 CHED CCCC1CCC(N(C)Cc2cccc(C#N)n2)CC1 1560804261 XCRCFMZZHKUGSD-UHFFFAOYSA-N 271.408 3.744 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)n1)c1ccc(Cl)s1 1583566515 WMUPCLUHMQNXNO-QMMMGPOBSA-N 292.747 3.586 30 20 CHED Cc1cccc(N(C)Cc2cccc(C(=O)O)c2C#N)c1C 1600537598 OWNMWTZIPCFTET-UHFFFAOYSA-N 294.354 3.510 30 20 CHED CCC[C@H](CNc1c(Br)cccc1C#N)OC 1612416715 PLVJTNINTSIDLW-LLVKDONJSA-N 297.196 3.548 30 20 CHED CC(=O)c1ccc(Oc2ccncc2C#N)cc1Cl 1612955504 QKXMKLGLXHJDBR-UHFFFAOYSA-N 272.691 3.602 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2ccccc2O)cc1 1613527613 RIVOXYKYFRWPBE-AWEZNQCLSA-N 269.369 3.928 30 20 CHED Cc1c(C)c(C)c(CN2CC[C@](F)(C#N)C2)c(C)c1C 1617231389 JQDXXFHEZJXOFR-KRWDZBQOSA-N 274.383 3.666 30 20 CHED CC[C@H]1CCCC[C@H]1CNc1nnc(C)c(C)c1C#N 1639973206 SOTGOSPIZGGPJP-KBPBESRZSA-N 272.396 3.593 30 20 CHED N#C[C@@H]1CC[C@@H](S[C@H]2CCOc3ccccc32)C1 1640989895 CZUNPABYHUBXFI-JMSVASOKSA-N 259.374 3.936 30 20 CHED CCSc1ccc(CNc2cc(C)c(C#N)cn2)cc1 1643108966 JOZNZEYLFSVSQS-UHFFFAOYSA-N 283.400 3.986 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCc1ccoc1 1651438542 SYMGKVKSSRSCPT-UHFFFAOYSA-N 283.718 3.965 30 20 CHED C[C@@H](Nc1cc(C#N)cnn1)c1cccc(Cl)c1Cl 1655166974 CXTZNGQKNHHMBO-MRVPVSSYSA-N 293.157 3.828 30 20 CHED CC[C@H]1CCC[C@H](NCc2ccc(C#N)c(C)c2)C1 1657254192 OHVQSFGDVNKHMU-YOEHRIQHSA-N 256.393 3.925 30 20 CHED Cc1cc(CN2CCCc3cc(C#N)ccc32)cs1 1658802053 ZQCDREOAUJSXNM-UHFFFAOYSA-N 268.385 3.881 30 20 CHED C=CCCCCN1CC2(CC2)c2ccccc2[C@@H]1C(=O)O 1776207818 RFNJUKBBZRBDLV-MRXNPFEDSA-N 285.387 3.516 30 20 CHED CC1(C)CCC/C(=C/c2ccc(/C=C/C(=O)O)cc2)C1=O 1776548606 PBSJNJTWPVTLHV-ADCBRGLKSA-N 284.355 3.947 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C)c(C(=O)O)c2)cs1 1777418629 ZRKMWHKKXDEVKL-WAYWQWQTSA-N 286.352 3.959 30 20 CHED O=C1/C(=C/c2cc(Cl)c3c(c2)OCO3)Cc2ccccc21 8054086 DCMXMBSXGNHZQQ-LFYBBSHMSA-N 298.725 3.891 30 20 CHED C#Cc1cccc(NC(=O)CCCc2ccccc2)c1 41639381 GCXNMTINOIIJIO-UHFFFAOYSA-N 263.340 3.629 30 20 CHED N#Cc1cccnc1N[C@@H](c1ccccc1)c1ccccn1 45396401 LNDABHGINGXZDA-KRWDZBQOSA-N 286.338 3.550 30 20 CHED N#Cc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1 47704241 SDXLZWBCCZJALJ-UHFFFAOYSA-N 285.734 3.533 30 20 CHED Cc1ccc(N(C)Cc2cccc(C#N)c2)c(C)c1 48346105 XRSZPQPPXZHAPF-UHFFFAOYSA-N 250.345 3.812 30 20 CHED CC[C@H](CC#N)NCc1csc(-c2ccc(F)cc2)n1 54183480 HCBUMLKMXRJNGT-CYBMUJFWSA-N 289.379 3.731 30 20 CHED N#CCCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1 58817517 LGYUIBUERQCVDQ-UHFFFAOYSA-N 291.778 3.999 30 20 CHED CCCN(CC#N)Cc1ccc(Cl)c2cccnc12 58921112 GUCUCDJRFDFXDB-UHFFFAOYSA-N 273.767 3.624 30 20 CHED C=C(Br)CNCC[C@@H](C)c1ccccc1 61910557 VTSPUOTVEQYUNC-LLVKDONJSA-N 268.198 3.678 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(N(C)C(C)C)c1 69372887 QESBSWZZJHOLGG-UHFFFAOYSA-N 289.423 3.961 30 20 CHED CCCCS(=O)(=O)/N=C(\O)CCCC1CCCCC1 69574705 AXTFZTNMLJWERX-UHFFFAOYSA-N 289.441 3.823 30 20 CHED N#C[C@H]1CCCN(Cc2csc3ccccc23)C1 79830132 GPXLOPANBYXYRH-GFCCVEGCSA-N 256.374 3.637 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)Cc2ccc(C)s2)n1 80245207 STSYQYOWXBBDPB-GFCCVEGCSA-N 285.416 3.983 30 20 CHED C=CCCC(=O)NCc1ccc(C)cc1OC(C)(C)C 84795005 KVZVILKWGIGMRB-UHFFFAOYSA-N 275.392 3.755 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccccc1CC(F)(F)F 86300601 DJCQNHBAISTMRT-SNVBAGLBSA-N 299.296 3.557 30 20 CHED CC(C)(C#N)CCCNc1c(F)cc(F)cc1F 88721421 PBZUHRODKHCJOZ-UHFFFAOYSA-N 256.271 3.846 30 20 CHED C=CCCC(=O)NC1(c2ccc(F)cc2F)CCCC1 89854883 AXATUZXENCKIBI-UHFFFAOYSA-N 279.330 3.817 30 20 CHED CCc1nc2ccccc2n1C1CCN(CCCC#N)CC1 93300256 DYZAQKOPKOMSJU-UHFFFAOYSA-N 296.418 3.539 30 20 CHED CC(C)COC[C@@H](NCc1ccc(C#N)cc1)c1ccco1 101596951 OGYGMBDHMVXUIK-QGZVFWFLSA-N 298.386 3.655 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccccc1)C1CCC1 104423916 RCPQDOAHPQSLJI-YOEHRIQHSA-N 287.403 3.625 30 20 CHED CCC[C@H](CC)NCc1ccc(O[C@H](C)C#N)cc1 105462006 GAUIZDWMHIZLFG-HIFRSBDPSA-N 260.381 3.646 30 20 CHED C#CCOc1cccc(NC(=O)[C@@H](C)c2ccccc2F)c1 108973564 ZBWQBFLQDNTYGK-ZDUSSCGKSA-N 297.329 3.580 30 20 CHED C=CC1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 110360498 RHBOPBLSVMKFPZ-UHFFFAOYSA-N 269.388 3.604 30 20 CHED N#Cc1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1F 112012035 KVPLOZCXHCHTTG-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1COc1ccccc1 116850674 WXYYSVMYEJOKMX-OAHLLOKOSA-N 295.382 3.960 30 20 CHED C=CCC[C@H](N[C@H](C)C[C@H](O)c1cccs1)C1CC1 121164582 WGXJDXSVRGQILD-SNPRPXQTSA-N 279.449 3.895 30 20 CHED C=CCOc1ccc(CNc2ncccc2C)cc1OC 121260397 NVHVYFOZOFSBEM-UHFFFAOYSA-N 284.359 3.576 30 20 CHED C[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 123960092 VRAYGUXBFJGSFQ-SNVBAGLBSA-N 277.755 3.618 30 20 CHED CC[C@H](C)CS[C@@H](C)C(=O)Nc1cccc(C#N)c1 124358690 FIIXUMGUOVIECA-RYUDHWBXSA-N 276.405 3.665 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCCCCC 125629263 MJGYGIMKEXIOLO-UHFFFAOYSA-N 278.371 3.714 30 20 CHED C#Cc1cccc(N[C@H]2CCc3ccc(OC)cc3C2)c1 129418182 JIOBSNAHLHIIGV-SFHVURJKSA-N 277.367 3.646 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2ccc(C#N)cc2)c1 129983324 FJFCKFNYEGIGSG-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED C=CCC[C@H](NC(=O)Cc1ccoc1)c1ccccc1 130391198 KUCYWNTYRLQGIJ-INIZCTEOSA-N 269.344 3.646 30 20 CHED N#CCC[C@H](NCc1ccc(Cl)nc1)c1ccccc1 130579557 WZMPBLZEJDCLAC-HNNXBMFYSA-N 285.778 3.870 30 20 CHED C/C(=N/OCc1nnc(C(C)C)o1)c1cc2ccccc2o1 131516099 VXGGIKDSPGEKOP-ODLFYWEKSA-N 299.330 3.880 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(Br)nc1 134231000 RVMATFSBPBDDTB-UHFFFAOYSA-N 295.180 3.551 30 20 CHED CCCCCCCN1CCC[C@@H](C(C)(C)C(=O)O)C1 135024935 GMHMTEOJLQANGM-CQSZACIVSA-N 269.429 3.780 30 20 CHED C=C(C)COc1cccc(N[C@@H](C)CCn2cccn2)c1 137819090 SBTNXQPMDHSPIV-HNNXBMFYSA-N 285.391 3.729 30 20 CHED CCCCCCCCCCNC(=O)C1(C#N)CCC1 147987627 YBKLRHFJVGDQJM-UHFFFAOYSA-N 264.413 3.937 30 20 CHED Cc1cccc(CNc2ccc(F)cc2OCC#N)c1 150759804 VXSKFQCDCSQHOZ-UHFFFAOYSA-N 270.307 3.649 30 20 CHED Cc1cn(-c2ccccc2)nc1NCc1cc(C#N)cs1 150948715 YSHPYRSNVPECFP-UHFFFAOYSA-N 294.383 3.726 30 20 CHED C=CCC[C@H](NC(=O)CO[C@@H](C)CC)c1ccccc1 152154758 KPDGAEWWUZMIRR-HOCLYGCPSA-N 275.392 3.625 30 20 CHED N#CCC[C@@H](NC(=O)CC1CCCC1)c1ccccc1 153518512 FZHZKCGUDSBQCB-MRXNPFEDSA-N 270.376 3.728 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1cc2ccccc2o1 159315061 CUWQBZNQZCVUDW-CYBMUJFWSA-N 284.359 3.597 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CC23CCCCC3)cc1Cl 159806483 VOIZLCTZUPLBNY-CQSZACIVSA-N 288.778 3.664 30 20 CHED C=CCCOC(=O)c1csc(-c2c(F)cccc2F)n1 171484609 ICYCIMJUHIALDN-UHFFFAOYSA-N 295.310 3.821 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CC=CCC2)cc1 172404735 JXSUOLIEMFPUSU-AWEZNQCLSA-N 283.375 3.718 30 20 CHED C=CCCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 172795053 AXFMRKAUMZOVST-SWLSCSKDSA-N 261.340 3.701 30 20 CHED C=CCCCC(=O)N(C)[C@H](C)c1cc(F)ccc1F 175242848 SUMYYAGUXCWRSF-LLVKDONJSA-N 267.319 3.841 30 20 CHED C=CCCCC(=O)N(C)CCCOc1ccccc1C 175380932 IFLHLEPAEBHFLQ-UHFFFAOYSA-N 275.392 3.579 30 20 CHED C=CCCCC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 175592151 QCPCBTMKBCANNA-LLVKDONJSA-N 280.437 3.974 30 20 CHED COCc1cccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 175797909 JPGOTKZVAAQGDC-ZDUSSCGKSA-N 295.338 3.623 30 20 CHED C#CCCCNC(=O)Nc1ccc(SC)c(Cl)c1 176113222 YAPGWXLGLPQXCY-UHFFFAOYSA-N 282.796 3.597 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H]2CCCC[C@@H]2C1 178534588 AGCDNSGEGNNZIU-HUUCEWRRSA-N 283.375 3.521 30 20 CHED N#Cc1csc(C(=O)Nc2cccc(-c3ncco3)c2)c1 178976320 UXOHUUMUNZZBML-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC1(C)CCC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C1 179376322 IRZNOLGWVMGFCT-QWHCGFSZSA-N 295.386 3.956 30 20 CHED CCOCc1cc(CNc2ccc(C#N)cc2)ccc1OC 179549937 KSSQFZRFQWQRME-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 179941204 GECNYNPGZLVIQF-STQMWFEESA-N 279.811 3.990 30 20 CHED C=CCOc1ccc(/C=C(\C)c2cnccn2)cc1OC 180382731 SXVODHLXIUTZCU-JLHYYAGUSA-N 282.343 3.611 30 20 CHED C=C(C)CN(C)C(=O)Cc1ccc(Cl)cc1Cl 180467827 PCKBUXCCKMCONX-UHFFFAOYSA-N 272.175 3.570 30 20 CHED C=C(C)CN(C)Cc1csc(-c2ccc(OC)cc2)n1 181246983 HYPIOYMYLJEODB-UHFFFAOYSA-N 288.416 3.827 30 20 CHED C=C(C)CN(C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 181299103 BMQHVTXGKGQJEJ-GOSISDBHSA-N 294.398 3.874 30 20 CHED CC1CCN(CCCCN[C@@H](C)c2cccc(C#N)c2)CC1 181512489 WBAQLNDCTAFZJD-KRWDZBQOSA-N 299.462 3.721 30 20 CHED CCC[C@@H](NCCCC#N)c1ccc(F)cc1F 181680975 KQIAFLWDQYDBNZ-CQSZACIVSA-N 252.308 3.699 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)CC1=CCCCC1 182118889 PZFRWVBAUSXXKS-CYBMUJFWSA-N 284.359 3.806 30 20 CHED COc1ccccc1CCCN(C)Cc1cccc(C#N)c1 182380500 DUKTYWRAQVJQPJ-UHFFFAOYSA-N 294.398 3.631 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 183880152 BZJKEVXHQRJYDN-GUYCJALGSA-N 280.371 3.752 30 20 CHED C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 184674662 YIQDWMDNVKFDKE-CQSZACIVSA-N 294.398 3.636 30 20 CHED COc1cccc(N/C(N)=N/CCC2=CCCCCC2)c1 184816816 OTCQYGTYLXWSEV-UHFFFAOYSA-N 287.407 3.702 30 20 CHED C=C(C)[C@H](NC(=O)C1=CCCC1)c1ccc(F)c(F)c1 184851660 QRBMZJGCHKSVBW-HNNXBMFYSA-N 277.314 3.809 30 20 CHED CCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1OC 185734389 BJZRCYMCAHMOQQ-STQMWFEESA-N 274.364 3.588 30 20 CHED Cc1ccccc1C[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 185805728 HUXWFPWADLHSML-YQQAZPJKSA-N 256.393 3.598 30 20 CHED CCCO[C@@H]1CCCN(Cc2ccc(C#N)cc2C)CC1 186226053 ADPYJNYNZYFCAS-GOSISDBHSA-N 286.419 3.648 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)cc1C)c1nccs1 186296938 WJELYINWOXTXOT-MRXNPFEDSA-N 285.416 3.738 30 20 CHED C=C(C)[C@H](NCCCSCC#N)c1ccc(F)c(F)c1 187766744 KOAMZIKXJABXPP-HNNXBMFYSA-N 296.386 3.818 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cc(C(CC)CC)no1 188453944 ACTMTISWNAEWKI-INIZCTEOSA-N 278.396 3.797 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 188489577 SQAVUXCIPDTZSO-MLGOLLRUSA-N 290.363 3.683 30 20 CHED C=CCC1(C(=O)N2CCS[C@H]3CCCC[C@@H]32)CCC1 189140058 VZXSSWZJPGAKPR-KBPBESRZSA-N 279.449 3.619 30 20 CHED CC(C)n1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1 189351752 BHQBOGDSIORYDO-UHFFFAOYSA-N 296.374 3.517 30 20 CHED COc1cc(OC)cc(N(C)Cc2ccc(C#N)cc2C)c1 191266780 LGNVYPQEPHXKBL-UHFFFAOYSA-N 296.370 3.520 30 20 CHED C=CCC[C@@H](NCc1cn(C(C)(C)C)nn1)c1ccccc1 191448732 JEXXTQOZPNBJOS-QGZVFWFLSA-N 298.434 3.830 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 193014839 MGOOIZMZMVXFMG-UHFFFAOYSA-N 297.358 3.911 30 20 CHED C=CCCCCCN1CCC[C@H](c2nncn2C(C)C)C1 193438551 ONXAMPLQHGAYEV-INIZCTEOSA-N 290.455 3.785 30 20 CHED Cc1cc(C)c(NC(=O)c2ccccc2OCC#N)c(C)c1 194069516 ZEKUSYHQRXYJMW-UHFFFAOYSA-N 294.354 3.767 30 20 CHED C=CCN(CC=C)C(=O)CS[C@H](C)c1ccc(F)cc1 194176545 HZKCUPCRXMKNGM-CYBMUJFWSA-N 293.407 3.821 30 20 CHED COc1ccc(C(=O)/C=C\c2sccc2C)cc1 210387899 WMWPWGAAJBYNNI-FPLPWBNLSA-N 258.342 3.961 30 20 CHED CCCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1 220249187 SFXYCGSDCAGERV-CRAIPNDOSA-N 291.435 3.975 30 20 CHED COc1cc(CN(C)[C@H]2CCCC[C@@H]2C)ccc1C#N 234937538 LWBVXVMZNZJIAM-BBRMVZONSA-N 272.392 3.577 30 20 CHED C=C(CN[C@@H]1CCC[C@@H](SC)C1)c1ccccc1 235161402 ADMYHHXJWNLRAV-HZPDHXFCSA-N 261.434 3.964 30 20 CHED C[C@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)S1 235586699 XSGBIDAMHHNADG-BETUJISGSA-N 254.443 3.532 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2sccc2C)o1 255037014 PIBDTJNKWWTBPT-XQRVVYSFSA-N 290.340 3.722 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)s2)c(F)c1 255417063 OZEQXLXNZNAALW-ALCCZGGFSA-N 287.315 3.664 30 20 CHED Clc1ccc(C=NOCc2ccc(Cl)nc2)cc1 255574541 IEUVWMCREURCMF-UHFFFAOYSA-N 281.142 3.939 30 20 CHED O=C(/C=C\c1ccc(Br)s1)c1ccco1 255606342 NHZSJJKLKIEFJX-HYXAFXHYSA-N 283.146 4.000 30 20 CHED CC[C@@H](C#N)NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 255914724 JYKBPOZMAPURGZ-SZNGSJQDSA-N 296.292 3.527 30 20 CHED Cc1ccc2c(CC(=O)N[C@H](C#N)C(C)(C)C)coc2c1C 267178395 BDWFQEGSMAQAEU-OAHLLOKOSA-N 298.386 3.647 30 20 CHED Cc1nc2ccccc2n1C[C@@H]1CCCN1CCCCC#N 270383708 WMLQFZHNJXHNKZ-INIZCTEOSA-N 296.418 3.503 30 20 CHED Cc1ccccc1[C@@H](C)Nc1cc(C)n(CCC#N)n1 271050674 WIYSXDVKHXLGBQ-CQSZACIVSA-N 268.364 3.587 30 20 CHED C#CCCCN(Cc1ccco1)Cc1cccs1 271067116 UPHZUOSVGARART-UHFFFAOYSA-N 259.374 3.757 30 20 CHED C[C@@H]1C[C@@H](/N=C/c2c(O)ccc3ccccc23)CCO1 271241372 YVJNRLBLOWKRQV-XAXRJAIVSA-N 269.344 3.532 30 20 CHED C=CCC(CC=C)c1nc(-c2ncccc2CC)no1 273884993 LDZDUCPITDROSK-UHFFFAOYSA-N 269.348 3.930 30 20 CHED N#Cc1cccnc1N1CCCC[C@H]1c1ccccc1 273888022 SKPOXYWMXMIPRE-INIZCTEOSA-N 263.344 3.685 30 20 CHED C#CCN(C(=O)Nc1ccc(Cl)cc1Cl)C1CC1 274090597 UDCMSGBYYUISAX-UHFFFAOYSA-N 283.158 3.623 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc2sccc2c1 274319683 KGLCUDWSCOGYDD-INIZCTEOSA-N 286.400 3.959 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2c2ccsc2)c1 274330769 MSTRDAKUXSZDBB-CYBMUJFWSA-N 299.355 3.869 30 20 CHED C=CC[C@H](C(=O)N(CC)CC(F)(F)F)c1ccccc1 275060065 HOZUUENSIJSLHF-ZDUSSCGKSA-N 285.309 3.757 30 20 CHED Cc1nc(-c2cccc(NC(=O)CC(C)(C)C#N)c2)oc1C 278321392 VPBZADCEDQJDHN-UHFFFAOYSA-N 297.358 3.837 30 20 CHED CCCC(C)(C)NC(=O)c1ccc(C(C)(C)C#N)cc1 279808085 OFIHSIKBVDVJEO-UHFFFAOYSA-N 272.392 3.796 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(F)cccc1Cl 281193667 BPYRCAAATTXCPU-VIFPVBQESA-N 255.720 3.564 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn([C@@H](C)CC)c1C1CC1 281355332 MIKLSMSPFFYRJC-GXTWGEPZSA-N 289.423 3.816 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)c1ccccc1F 281542604 ZLGGXZSCUCXZHU-OLZOCXBDSA-N 278.371 3.883 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 281618492 NNYLTAPQWSONAL-OCCSQVGLSA-N 293.407 3.718 30 20 CHED CSc1ccccc1[C@@H](C)NCCC(C)(C)C#N 282231064 ZJLVNVGDHRRVOB-GFCCVEGCSA-N 262.422 3.999 30 20 CHED CCCOc1ccc(/C=N/[C@@H](C)C(F)(F)F)c(O)c1 287046479 IJMYGXNUUQDOAA-PCYPHTAMSA-N 275.270 3.551 30 20 CHED C=CCC1(c2nc(-c3ncccc3CC)no2)CCC1 289149866 SYHQQGFCFWAVCC-UHFFFAOYSA-N 269.348 3.692 30 20 CHED C#Cc1ccc(CN[C@H]2CCO[C@H](c3ccccc3)C2)cc1 289807228 SREUFHWLIVFXTM-PMACEKPBSA-N 291.394 3.678 30 20 CHED C[C@@H]1C[C@H]1[C@@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 292191269 QYDPLRMVJPOELP-XFJVYGCCSA-N 290.794 3.847 30 20 CHED Cc1nc(N[C@H]2CCc3c(O)cccc32)c(Cl)cc1C#N 292617297 NFTJQYQZMMDYSB-AWEZNQCLSA-N 299.761 3.720 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccsc1 294177985 DIZISXWXOISECF-HNNXBMFYSA-N 256.374 3.861 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cc(C)cs2)cc1 295234305 CVDBQFGSXZHFEZ-CQSZACIVSA-N 284.384 3.614 30 20 CHED C=C(C)CCc1noc(C2(C(F)(F)F)CCC2)n1 296877033 NZLYZZPSVTYYGC-UHFFFAOYSA-N 260.259 3.562 30 20 CHED N#Cc1c(F)cccc1Oc1nc(C(F)(F)F)cs1 301815833 DFRILBUGDKIPQK-UHFFFAOYSA-N 288.225 3.965 30 20 CHED CCc1ccc([C@@H](Nc2ccc(C#N)nn2)C(C)C)cc1 301913184 HJWMMCIZLJOOBA-KRWDZBQOSA-N 280.375 3.720 30 20 CHED N#Cc1ccc(N[C@@H](c2ccccc2)C2CCCC2)nn1 301962214 IJLYHCXWBBDGTR-KRWDZBQOSA-N 278.359 3.692 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)C 307994388 ALQLMUVOSDYLID-SNVBAGLBSA-N 262.328 3.708 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)cc1Cl 311852769 PEWHNVFARIWUQE-QMMMGPOBSA-N 284.693 3.586 30 20 CHED Cc1nc(N(C)[C@@H](C)c2ccccc2F)ccc1C#N 312523758 UONVAUVMVIDIBN-LBPRGKRZSA-N 269.323 3.598 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cccc(C(F)(F)F)c1 315745706 WERAXEJQPZUDMU-UHFFFAOYSA-N 299.296 3.767 30 20 CHED C[C@H](C[C@@H]1CCCO1)/N=C(/O)c1coc(C2CCCC2)n1 328789321 YDVAQEMINCJZCC-YPMHNXCESA-N 292.379 3.594 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)c2cnc3cnccc3c2)CC1 328833874 RXEDQNSLFXSTOH-DOMZBBRYSA-N 283.375 3.903 30 20 CHED OC(C[C@H]1CCOC1)=Nc1ccc2nc(C(F)F)[nH]c2c1 328899929 ZGNCWEQNTQITMQ-MRVPVSSYSA-N 295.289 3.515 30 20 CHED Cc1noc(C)c1C(C)(C)/N=C(/O)[C@@H]1CCCSC1 329768286 GLNXZJGWQBSNSM-LLVKDONJSA-N 282.409 3.626 30 20 CHED CC[C@H](/N=C(/O)c1ccoc1C(C)C)[C@H]1CCCO1 331098339 NFKZOLKTXGHTQO-QWHCGFSZSA-N 265.353 3.665 30 20 CHED COCc1nc(/C(O)=N/[C@H](C)CC2CCCCC2)cs1 331129997 SLZZKGREPPVKAH-LLVKDONJSA-N 296.436 3.953 30 20 CHED N#Cc1cscc1C(=O)Nc1ccsc1Cl 334386391 OGIPYJMMYWWISF-UHFFFAOYSA-N 268.750 3.587 30 20 CHED CC1(C#N)CCN(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)CC1 334881572 IVUJQONNHMJFHX-KBPBESRZSA-N 291.439 3.536 30 20 CHED N#CC1(NC(=O)c2ccc(C(F)F)cc2)CCCCC1 334915161 BBELVTVUDNWOGP-UHFFFAOYSA-N 278.302 3.580 30 20 CHED C=CC(C)(C)C(=O)N1C[C@H]2CC[C@H]1c1ccccc12 336306884 MVMCVCUTXIHBDS-DOMZBBRYSA-N 255.361 3.660 30 20 CHED N#CCCCN1CCc2c(ccc(Cl)c2Cl)C1 338429048 WQYMNDHFZNHRCM-UHFFFAOYSA-N 269.175 3.655 30 20 CHED CC1(C)C[C@@H](Nc2cccc(C#N)n2)c2ccc(F)cc2O1 339221755 LVNFGGHTFBZOHF-CQSZACIVSA-N 297.333 3.807 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccoc1 341848978 UYKZHHKRYYOILR-NSHDSACASA-N 286.356 3.784 30 20 CHED C=CCCN(C)C(=O)c1ccsc1-n1c(C)ccc1C 341984354 OQMFVTNXULFULQ-UHFFFAOYSA-N 288.416 3.804 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(CC#N)cc1 342759231 XDMUPTGWIQIRTD-AWEZNQCLSA-N 280.371 3.651 30 20 CHED CSc1ccc(C)c(NCc2ccc(C#N)o2)c1 342849335 KXBLCDRCHUNNJA-UHFFFAOYSA-N 258.346 3.794 30 20 CHED N#CCCCNCc1ccc(-c2ccccc2)s1 344328325 LJWTWCOOCBJIPW-UHFFFAOYSA-N 256.374 3.808 30 20 CHED N#CCCCN1C(=O)CCc2cc(NC3CCCC3)ccc21 345419827 CBFATFBASNGGAG-UHFFFAOYSA-N 297.402 3.624 30 20 CHED C/C=C\COc1ccc(CC[C@@H](C)NCCCC#N)cc1 346835198 ONEGBAHXRUCBDX-MJSXRHKHSA-N 286.419 3.856 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2c[nH]c3ccccc23)no1 347059995 YHQTYAMGQUWEBO-UHFFFAOYSA-N 290.282 3.658 30 20 CHED N#CC[C@H](Cc1nc(-c2ccoc2)no1)c1ccccc1 347129770 WFZKKEWSIGTEGU-CYBMUJFWSA-N 279.299 3.570 30 20 CHED CCSc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 350916521 DRLIWYQPZTYZJD-AWEZNQCLSA-N 282.368 3.684 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCc2ccccc2C1 351075676 QCJSSZVYROSTMZ-CQSZACIVSA-N 296.418 3.540 30 20 CHED CCC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccccn1 353605527 CDNXDKOYLWMTTL-MRXNPFEDSA-N 295.386 3.593 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1Cc2ccccc21 353844267 SAXDJZXANJUTEI-SFHVURJKSA-N 277.367 3.541 30 20 CHED C=CCN(Cc1c(C)nc2sc(C)nn12)c1ccccc1 355040225 NKYYQCNQEKBVGV-UHFFFAOYSA-N 298.415 3.600 30 20 CHED N#Cc1csc(/C=C/c2nc3ccccc3s2)n1 357147476 JNUXGUIWKKBXAG-AATRIKPKSA-N 269.354 3.795 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@H](CC#N)c1ccccc1 357156291 YRKKTUUEOABCCJ-IRXDYDNUSA-N 282.387 3.641 30 20 CHED Cc1nsc(Oc2c(F)c(F)cc(F)c2F)c1C#N 360843393 WHSRSCLGKWPWLN-UHFFFAOYSA-N 288.225 3.672 30 20 CHED CC(C)CCN(CCC#N)CCCOc1ccccc1 362170972 UQWPXDXXIJTESP-UHFFFAOYSA-N 274.408 3.717 30 20 CHED C=CCCCCCCNC(=O)N1CCCC[C@@H](COC)C1 377043777 MXJQCUXHWWQSLZ-MRXNPFEDSA-N 296.455 3.581 30 20 CHED Cc1cc(C)cc(NCc2ccc(CC#N)cc2)c1 398953453 FWJZXGGKRGMWGA-UHFFFAOYSA-N 250.345 3.982 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(CC)CCC 413830753 YCNKSUUOHDMFNF-MRXNPFEDSA-N 274.408 3.615 30 20 CHED C=C[C@H](CO)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 414123248 BQHIHMFKWFBEBA-BMFZPTHFSA-N 279.811 3.503 30 20 CHED C=CCOCCS[C@@H](C)c1ccc(F)c(F)c1 419398611 HZYQDVXRGZCICG-JTQLQIEISA-N 258.333 3.962 30 20 CHED CCCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 424200701 RDSDGNUJXIZWAU-JKSUJKDBSA-N 272.392 3.647 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(c2ncccc2C#N)C1 425287052 UZILENCGDYDEMF-MRXNPFEDSA-N 277.371 3.931 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 434483495 KKHDZOINQWAAMI-JKSUJKDBSA-N 276.424 3.563 30 20 CHED C=CC1CCN(C(=O)c2ccc(OC)c(C3CC3)c2)CC1 435868816 VGYXFKIDBOVPOE-UHFFFAOYSA-N 285.387 3.611 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C1=C(C)CCC1 437268074 MDNPDAUCRJHNIC-UHFFFAOYSA-N 255.361 3.702 30 20 CHED CCSCc1cccc(NC(=O)N(C)C[C@H](C)C#N)c1 438362165 WVMINJVQLDHJCK-GFCCVEGCSA-N 291.420 3.563 30 20 CHED CC(C)CCC(=O)COc1ccc(C#N)c(Cl)c1 438888102 ROTGZVKDKUCKDL-UHFFFAOYSA-N 265.740 3.596 30 20 CHED C=CCNC(=O)N1CCC[C@H](CCCc2ccccc2)C1 438974569 PDQULFJCNOPKBC-KRWDZBQOSA-N 286.419 3.617 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 439978223 ITZNHGJUWDRLRL-NVXWUHKLSA-N 288.435 3.922 30 20 CHED C=CCCC[C@H](C)N1CCO[C@@]2(C[C@H]3CC[C@H]2C3)C1 440559653 RAYMYJRLVKYJJC-QAETUUGQSA-N 263.425 3.622 30 20 CHED N#C[C@H]1CC[C@@H](NCCOc2cccc3ccccc23)C1 442787550 WYOJNRBOBNESBT-GOEBONIOSA-N 280.371 3.500 30 20 CHED C[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 443522311 YNHVMXAIYASVAJ-SNVBAGLBSA-N 283.297 3.598 30 20 CHED C=CCCC(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2 446611334 OSJKBNOYSWNXSR-UHFFFAOYSA-N 289.400 3.734 30 20 CHED C[C@H](CN(C)CC#Cc1ccc(F)cc1)c1ccccc1 446830013 NUAKMOKBWSQXRF-MRXNPFEDSA-N 281.374 3.913 30 20 CHED CCc1ccc(CN(C)C(=O)[C@@]2(C#N)CC23CCCC3)cc1 448573815 RPEKOOADMBNNLS-IBGZPJMESA-N 296.414 3.681 30 20 CHED C=CC(C)(C)C(=O)NCc1oc2ccc(F)cc2c1C 448798486 HKMCNAQQIUGWCZ-UHFFFAOYSA-N 275.323 3.709 30 20 CHED C=CCC[C@@H](C)NCc1nc(C)c(Br)s1 449400085 HCVBZQYXICBFFT-MRVPVSSYSA-N 289.242 3.658 30 20 CHED C=CCOc1cccc(CNC[C@H]2CCCC2(F)F)c1 449490717 CNRZNFRWDMGQHZ-CQSZACIVSA-N 281.346 3.776 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC2CCC2)c(F)c1 450036877 BHNAZUFLZRLOGZ-UHFFFAOYSA-N 277.339 3.908 30 20 CHED Cc1c(C#N)c(N2CCCC3(CC3)C2)nc2ccccc12 450460883 RTZFOPKHNCUSNT-UHFFFAOYSA-N 277.371 3.795 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H]1CCOC2(CCC2)C1 450714545 HIJIVJLBNUEFNU-GFCCVEGCSA-N 290.794 3.973 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NCCCC2(C#N)CCOCC2)C1 452057914 HLGKIGFJYNNILF-ULQDDVLXSA-N 292.467 3.891 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 452144777 HBNCBEHSKWFAGN-JKSUJKDBSA-N 284.403 3.578 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(C)ccc1C 453333056 CYJAKTUOKGFBSP-OIISXLGYSA-N 259.393 3.688 30 20 CHED C=C(C)CCNC(=O)NC1(c2ccc(F)cc2F)CCC1 458994413 GASYZYYRCOFHSR-UHFFFAOYSA-N 294.345 3.609 30 20 CHED C=C(CC)CNC(=O)N1CCCCC[C@H]1c1ccncc1 459085797 WBLYXHYNSLCEDQ-INIZCTEOSA-N 287.407 3.675 30 20 CHED N#Cc1cccc(C(=O)N2CCCCCc3ccccc32)c1 460477397 BRSOJFGMJWLMJQ-UHFFFAOYSA-N 290.366 3.931 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccc(F)cc1C#N 461544406 QOGGJOXNDPYNBM-UHFFFAOYSA-N 280.302 3.765 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2ccc(F)cc2Cl)C1 463297090 IUIYJKNQJATEEC-BXUZGUMPSA-N 280.774 3.694 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc(Cl)c1 464756237 JUGSOLWIXZAZGW-GHMZBOCLSA-N 266.772 3.617 30 20 CHED C=C[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 464759752 YAUBJZGYRHUUMZ-YQQAZPJKSA-N 286.419 3.786 30 20 CHED C=C[C@H](C)NC(=O)c1oc2c(C)ccc(C)c2c1C 465104880 VGUNXJZVJUUEAO-NSHDSACASA-N 257.333 3.662 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1 465115943 CACMOYXFMUJWRA-CQSZACIVSA-N 287.403 3.506 30 20 CHED Cc1ccnc(N2CCC[C@@]2(C)Cc2ccccc2)c1C#N 466627660 MVOKNVSFYXISNM-IBGZPJMESA-N 291.398 3.863 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(Cl)c(C)c1 467908258 AYVHTYVUMUBVRM-OAHLLOKOSA-N 265.784 3.867 30 20 CHED C=CCCCC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 470082688 RSHKOWOTHBOAIV-JTQLQIEISA-N 263.303 3.532 30 20 CHED C=CCCC1(C(=O)NCC2(CCOC)CCCCC2)CC1 476800502 YCOYGBNWPRRFBT-UHFFFAOYSA-N 293.451 3.836 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(CC)cc2)CCC1 478064992 JHSTZGJVXPXTFV-UHFFFAOYSA-N 271.404 3.954 30 20 CHED Cc1ccc(C[C@H](NCCCCC#N)C(C)C)cc1 482436149 IQBURMOSGXBPRO-KRWDZBQOSA-N 258.409 3.846 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3nccc(C)c3C#N)C2)cc1 486476585 FBLWHGOLHBFOPC-RDJZCZTQSA-N 291.398 3.953 30 20 CHED N#CCc1ccc(NCc2cc3ccc(F)cc3[nH]2)cc1 486695837 PXBBGBUWNCBIKK-UHFFFAOYSA-N 279.318 3.985 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 487729362 MCPUFSPQYOFGJU-DLBZAZTESA-N 286.419 3.930 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 487735425 YGOXUESMRAHCLP-SJORKVTESA-N 286.419 3.930 30 20 CHED Cc1cc(CN2CCc3cccc(F)c3C2)ccc1C#N 488151231 OOSISRXPTXAKKC-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2cc(C)ccc2o1 488875200 FTVPZBSQVGJSJH-AWEZNQCLSA-N 269.344 3.922 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1[C@H](C)CCC 489037895 HHAUJNDASJZLSG-CABCVRRESA-N 274.408 3.715 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)c1cccc(C)c1 490213760 ZTPUNXAYILYFTC-MRXNPFEDSA-N 297.398 3.949 30 20 CHED C=CCN(C)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 490929517 XGEOVDDQINQLBH-VIFPVBQESA-N 272.175 3.741 30 20 CHED CCc1c(Nc2nccc(C)c2C#N)cnn1CCC(C)C 491803696 FHQHOEIBSAXJAM-UHFFFAOYSA-N 297.406 3.810 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1cccc(OC)c1 494561306 CBMBRUBHAWIHHC-UKRRQHHQSA-N 288.391 3.506 30 20 CHED C=CCCN(C)Cc1ccc(Br)c(C)c1 501887730 NHYWIFAFPSOEBS-UHFFFAOYSA-N 268.198 3.765 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1sc(C)c(C)c1C#N 502499063 FBAHWNYKDHACJS-IUCAKERBSA-N 264.394 3.857 30 20 CHED CC(C)[C@H](C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 505832857 NGEDJOPIVPFRFM-XJKSGUPXSA-N 286.419 3.957 30 20 CHED N#Cc1ccc(NC(=O)c2ccc3c(c2)CCC=C3)cc1 505927923 GBLYBPGKVHJPRB-UHFFFAOYSA-N 274.323 3.770 30 20 CHED N#C[C@H](NC(=O)CC1CCCCCC1)c1ccccc1F 505938950 RKHJDDPBHOHHGV-INIZCTEOSA-N 288.366 3.867 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(O)cc(OC)c1)c1ccccc1 509512540 AEWNJWITDXZAOJ-ZDUSSCGKSA-N 297.354 3.699 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(C#N)c1F 512457821 WASDTWRPDBXOFM-WWGRRREGSA-N 272.367 3.850 30 20 CHED N#Cc1csc(CN2CC[C@@H](c3cccc(F)c3)C2)c1 513492252 YXJQXSSSXXMYAY-CQSZACIVSA-N 286.375 3.748 30 20 CHED C[C@H]1CCCC[C@H]1N(C)c1ncc(C#N)cc1Cl 513634442 AYJUPIQHDCBEMG-GXFFZTMASA-N 263.772 3.622 30 20 CHED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C=C)cc1 519565091 FPIKQYSMFYDUMQ-UHFFFAOYSA-N 299.395 3.711 30 20 CHED N#CCC[C@@H](C#N)CNc1cc(Cl)c(F)c(Cl)c1 519797868 OLKADQPRCFDNJG-QMMMGPOBSA-N 286.137 3.988 30 20 CHED Cc1ccc2c(c1)N(CCOc1cccc(C#N)c1)CCC2 523608385 BIBWFPYNHGDEPR-UHFFFAOYSA-N 292.382 3.698 30 20 CHED CCCN(CCCSCC#N)Cc1ccc(C)cc1 524791971 NWYSJGZUOITJSH-UHFFFAOYSA-N 276.449 3.854 30 20 CHED CC1CC(C#N)(C(=O)N2CCCC3(CCCCCC3)C2)C1 532073088 QLSSKQVZVAQTJT-UHFFFAOYSA-N 288.435 3.889 30 20 CHED C=C(CC)CSc1nnc(-c2ccc(C)cc2)n1C 536899572 FKPRZPMDHSJNGL-UHFFFAOYSA-N 273.405 3.849 30 20 CHED CC[C@H](C)CNC1CCC(Oc2ccccc2C#N)CC1 537861299 IXNAHDIDIIQMIB-OOHWJJMZSA-N 286.419 3.884 30 20 CHED Cc1cccc([C@@H]2CCN(c3ccc(Cl)c(C#N)n3)C2)c1 542269219 GUXZJHSUNPWAKD-CQSZACIVSA-N 297.789 3.909 30 20 CHED C=CCC[C@H](CCC)NCC[C@H]1CCO[C@H](C)C1 542488217 CLXVAPSATGESEJ-PMPSAXMXSA-N 253.430 3.916 30 20 CHED Cc1ccc2c(C)cc(=NCc3ccc(C#N)cc3)[nH]c2c1 546597848 HDQAPQGHDVCIQJ-UHFFFAOYSA-N 287.366 3.757 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2ccc(C#N)cn2)CC1 553263746 WWRRLYJHKYOMRK-LJQANCHMSA-N 291.398 3.901 30 20 CHED CCCCC[C@@H]1CCCN1c1cc(C)nc(C#N)c1 553483058 OFRXMVUJJXGRER-OAHLLOKOSA-N 257.381 3.811 30 20 CHED C=CCC[C@H](NCC(C)(C)[C@@H](O)C(C)C)c1ccco1 560544982 RVXXBUGJUHWDBB-HOCLYGCPSA-N 279.424 3.920 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ncc(-c2ccccc2)o1 566113810 LABLMNAYMVSVEO-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C)c([N+](=O)[O-])c2)n1 566366203 OMAJPKGKXAFYQT-UHFFFAOYSA-N 287.319 3.807 30 20 CHED COc1c(C)cc(C(=O)Nc2ccccc2CC#N)cc1C 566644667 XUWQGVRWCKZQTQ-UHFFFAOYSA-N 294.354 3.630 30 20 CHED CCc1nc(C)ccc1OCc1ccc(C#N)c(C)c1 566894548 NNHUZURCCIKVIA-UHFFFAOYSA-N 266.344 3.712 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3ccc(F)cc32)CCC1 567208712 WCCZWXMQEDLMQF-OAHLLOKOSA-N 273.351 3.676 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c(C)c1 571553869 LMTPYAROGIDDPX-SFHVURJKSA-N 284.403 3.896 30 20 CHED C[C@@H]1[C@H](C(=O)N2CCC(CCC#N)CC2)[C@@H]1c1ccccc1 572724433 NRHPZTCTFPMOAR-WBAXXEDZSA-N 296.414 3.578 30 20 CHED CCCC[C@@H](CC)CC(=O)Nc1n[nH]c(C2CC2)c1C#N 573501025 YEOGAFLRVXLVOK-LLVKDONJSA-N 288.395 3.704 30 20 CHED CC(C)(CCC#N)CN1Cc2ccccc2OC(C)(C)C1 576385806 IJZHKPDZSOKSQJ-UHFFFAOYSA-N 286.419 3.990 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCCc1cccs1)CC2 583410524 RNKBECVKEWKDJH-KRWDZBQOSA-N 282.412 3.829 30 20 CHED CCS[C@@H]1CCCCN(C(=O)CCCCCC#N)C1 588157907 NIFDGRALCMYAHP-CQSZACIVSA-N 282.453 3.595 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1sccc1O 588495744 JRLOZDQIVGAOJP-RQOWECAXSA-N 266.268 3.628 30 20 CHED COc1cc(CCN[C@@H]2CCC[C@H](C#N)C2)ccc1Cl 590262740 MVZJTNKMXMTDKO-UONOGXRCSA-N 292.810 3.563 30 20 CHED Cc1ccccc1[C@@H](C)N=c1[nH]c(C#N)c(Cl)s1 590572368 JCQKJGICGPTODI-SECBINFHSA-N 277.780 3.572 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 590757010 XYCVAVYLKGKPIM-OCCSQVGLSA-N 290.794 3.654 30 20 CHED CCc1cccc(N(C)C(=O)CCCCCC#N)c1 590895584 GWRAEJDVYNGGCD-UHFFFAOYSA-N 258.365 3.686 30 20 CHED CCC(C)(C)N(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 591334239 RWXKMGAYPCTGAD-MRXNPFEDSA-N 299.418 3.766 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 591808929 MCBWAKDWFVLDHA-OQUILHJVSA-N 282.387 3.514 30 20 CHED C[C@H](Nc1nc2c(cc1C#N)CCC2)c1ccc(Cl)cn1 591824744 RMVRCZMPAFTOMQ-JTQLQIEISA-N 298.777 3.663 30 20 CHED CC(C)(C)[C@H]1CN(c2ncncc2C#N)c2ccccc21 591935362 HBEMICLMHZWKNV-AWEZNQCLSA-N 278.359 3.630 30 20 CHED CC[C@@H](C#N)C(=O)NC1CCC(c2ccc(F)cc2)CC1 593593561 CTJHJINYKYYKLZ-YGONEPDPSA-N 288.366 3.518 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C(C)(C)c1ccc(Cl)cc1F 594089534 XHISTWNVKQAFTP-NSHDSACASA-N 296.773 3.517 30 20 CHED Cn1cc(CCNCC(C)(C)CCC#N)c2ccccc21 594982599 BBGQKVBPABEHKL-UHFFFAOYSA-N 283.419 3.640 30 20 CHED N#CC[C@H]1CCCN(CCSC2CCCCC2)C1 595623556 TXVNAXOWRQYZQU-CQSZACIVSA-N 266.454 3.678 30 20 CHED C=CCCSCCNc1ccnc(C(F)(F)F)c1 596413286 JCGPSKOGSNIEMM-UHFFFAOYSA-N 276.327 3.822 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 597258773 RHMBAJCMFPCVMM-WCMCAJIFSA-N 296.414 3.687 30 20 CHED Cc1oc(C#N)cc1C(=O)NC1CCC(C2CCC2)CC1 598451702 XSOGATZTVCXJNN-UHFFFAOYSA-N 286.375 3.548 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1ccccc1CC#N 600985836 VGCINHBLDPZWFG-AWEZNQCLSA-N 272.392 3.697 30 20 CHED N#Cc1cc(Cl)ccc1SCCOC1CCC1 601911735 INTSTDKOWHMUMY-UHFFFAOYSA-N 267.781 3.873 30 20 CHED N#Cc1cccc(CN(Cc2ccc(Cl)cc2)C2CC2)n1 602441523 OFZPSKDEXSXMGJ-UHFFFAOYSA-N 297.789 3.771 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(F)c2ccccc12 602462526 NHMRJATWHAIXFW-LBPRGKRZSA-N 256.324 3.713 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)NCc1cccc(C#N)n1 602514765 QGOQYSVISYMZFV-CQSZACIVSA-N 295.386 3.591 30 20 CHED Cc1ccc2oc(CNC[C@@H](C)CCC#N)cc2c1 602710419 KHXTWSRWQZEVFI-ZDUSSCGKSA-N 256.349 3.771 30 20 CHED C=CCCCSc1n[nH]c(CCC2CCCC2)n1 605076983 QWVYKSCPDAIMRW-UHFFFAOYSA-N 265.426 3.986 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2ccc(C3CC3)cc2)c(F)c1 611307436 DCFOILNYZFBXCD-UHFFFAOYSA-N 298.292 3.966 30 20 CHED C[C@]1(C#N)CCCN(Cc2coc(-c3cccs3)n2)C1 612163800 TYIYJLDPTFISDW-OAHLLOKOSA-N 287.388 3.529 30 20 CHED N#Cc1cc(C(=O)Nc2ncc(Cl)s2)ccc1Cl 612605534 YZONFAFQDFTSRT-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CC(C)(C#N)CN[C@H]1CCC[C@H]1c1ccc(F)cc1 613540419 WATNDBASNHIPGH-GJZGRUSLSA-N 260.356 3.601 30 20 CHED Cc1ccccc1C1(C(=O)N2CCC[C@@](C)(C#N)C2)CCC1 615967019 DDSGIMAFJPAEKO-SFHVURJKSA-N 296.414 3.569 30 20 CHED CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)cc1C 618550672 VAVZIRVSZDXKHD-SFHVURJKSA-N 286.419 3.648 30 20 CHED C[C@@H](Cc1ccc(F)cc1)N[C@H]1CCc2cc(C#N)ccc21 618741774 IEESJPFMOUMEDC-DJJJIMSYSA-N 294.373 3.905 30 20 CHED CCc1ccsc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618787001 ZOMTXNRLNYGYHF-OAHLLOKOSA-N 296.395 3.599 30 20 CHED C[C@@H](CN[C@H]1CCc2cc(C#N)ccc21)C(C)(C)C 619846018 PNQKLWTYSXJYLK-LRDDRELGSA-N 256.393 3.817 30 20 CHED C=CCCO[C@@H](C)C(=O)N(c1cccc(F)c1)C(C)C 622971881 HZJLQUNOKFWXME-ZDUSSCGKSA-N 279.355 3.548 30 20 CHED C=CC[C@H]1N(Cc2noc(C3CCC3)n2)CCCC1(C)C 625375554 SMDDGUXDXKOSEH-CQSZACIVSA-N 289.423 3.904 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)CCCC1CC1 643179262 FHQXJNVIVRSUSV-UHFFFAOYSA-N 287.403 3.790 30 20 CHED C=C[C@](C)(CC)c1nc([C@H]2CCOC(C)(C)C2)no1 651440151 BYKXYFYRYWQXJK-XHDPSFHLSA-N 264.369 3.596 30 20 CHED C=CCCn1cc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)nn1 653578526 PRQBWRBCIHFLFX-JKSUJKDBSA-N 290.455 3.549 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC1CCN(CCC)CC1 657823081 IHZXTECDUSQVTE-WBVHZDCISA-N 264.457 3.585 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1c(C2CC2)cnn1C 658213275 QJXSTASKDRGODA-GDBMZVCRSA-N 273.424 3.522 30 20 CHED C=CCN(Cc1cc(F)ccc1OC(F)F)C1CC1 660171515 VFCIYSAITSCSTH-UHFFFAOYSA-N 271.282 3.578 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(Cl)c(Cl)c1 660680133 BUKMFUWBSAYFJL-VIFPVBQESA-N 287.190 3.757 30 20 CHED C=CC[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 661380281 MCKZRHZLLVBJFK-HNNXBMFYSA-N 297.402 3.567 30 20 CHED C=CCC[C@H](CCC)NC[C@H]1CCCN(CC2CC2)C1 663467657 HBXUVJNEHCCXMN-MSOLQXFVSA-N 278.484 3.833 30 20 CHED C=CCN(C(=O)Nc1ccc(C2CC2)cc1)[C@H](C)COC 666539967 OEODMZUKOOFLEP-CYBMUJFWSA-N 288.391 3.619 30 20 CHED C=CCC(CC=C)C(=O)N1CCCO[C@@H](c2ccccc2)C1 675154776 ODBFNXFHSJQZLY-GOSISDBHSA-N 299.414 3.745 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)oc1C 676053624 XWRWGHUDWDTWRI-CQSZACIVSA-N 290.322 3.935 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@@H](C)C(=O)c1ccccc1 678881283 CRRSXRIMDXTBCR-HUUCEWRRSA-N 287.403 3.757 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1cc2ccccc2o1 683788364 NZSBHEBDTZXIGA-CQSZACIVSA-N 269.344 3.542 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1cccs1 727973006 OVRGKZCLJBJFLG-UHFFFAOYSA-N 275.333 3.801 30 20 CHED C#Cc1cccc(N(C)C(=O)c2sccc2C2CC2)c1 728536881 JSPLKDZBXZHTBY-UHFFFAOYSA-N 281.380 3.883 30 20 CHED Cc1ccc2c(Cl)c(C(=O)O[C@@H](C)C#N)sc2c1 729729501 USPPPJMCGNBSPV-QMMMGPOBSA-N 279.748 3.932 30 20 CHED C=C(Br)CN1CCc2ccccc2[C@@H]1C 730379084 YLZZZTIKVGDCPN-NSHDSACASA-N 266.182 3.514 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1cc(F)c(F)c(F)c1 731041785 WIHQOBXCWZJAKD-SNVBAGLBSA-N 290.288 3.826 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ccc(F)cn1 731319840 ZCAKHSBZTKSMAA-UHFFFAOYSA-N 271.339 3.950 30 20 CHED C#CC(C)(C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 733873342 UUOMIWDZGPFXCA-JLHYYAGUSA-N 269.388 3.525 30 20 CHED C#CCOc1ccccc1CNc1ccc(Cl)cc1C#N 734145430 QQZLMXUJULLWHY-UHFFFAOYSA-N 296.757 3.836 30 20 CHED C#CCOc1cccc(NC(=O)NC2(C)CCCCC2)c1 734934218 FZXHJXGCDARJEC-UHFFFAOYSA-N 286.375 3.543 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 741722319 FLAJBNHKWRNLJF-HOTGVXAUSA-N 282.472 3.726 30 20 CHED CCOc1ccc(NC(=S)NN=CC2CCCC2)cc1 741836668 IMJIUQUVZXYGEM-UHFFFAOYSA-N 291.420 3.548 30 20 CHED Cc1nc(S[C@@H](C#N)Cc2ccccc2)sc1C 741858144 RYHSBXRYZIRBRV-CYBMUJFWSA-N 274.414 3.987 30 20 CHED C#CCCCNC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 742790309 ASOWGWTZXFVUGL-UHFFFAOYSA-N 295.169 3.618 30 20 CHED CC1(C)C(=NNCc2ccccc2Cl)[C@H]2CCCO[C@@H]21 743438636 NTNDJMOSYVWTFJ-DOMZBBRYSA-N 292.810 3.621 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C\c1cccs1 743679073 IQJFOZICCVGNEI-KTKRTIGZSA-N 299.370 3.562 30 20 CHED C[C@@H]1CC[C@H](CCC(=O)O[C@H](C)c2cccc(C#N)c2)O1 744102245 QLKKWBVJFKOLSS-XJKCOSOUSA-N 287.359 3.510 30 20 CHED CC(CCC(C)C)=NNc1oc(C(C)C)nc1C#N 745625505 XADRHZXQASXTFN-UHFFFAOYSA-N 262.357 3.894 30 20 CHED C=CCNC(=S)N(CCC)[C@@H](CC)c1ccccc1 745680020 UDXIXDAPEXCUCF-HNNXBMFYSA-N 276.449 3.910 30 20 CHED O=C(C#Cc1ccccc1)N1CCC[C@@H]1C1CCCCC1 747211500 LPMQMRDXAIAXEL-GOSISDBHSA-N 281.399 3.609 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1cccc(C(=O)O)c1 747735757 KCUZEFVEZXUTIO-ZDUSSCGKSA-N 260.337 3.609 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)c1cc[nH]c1 748085634 KYGRHLJKWKBVMJ-UHFFFAOYSA-N 275.355 3.805 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1Cl 748239518 HSHZOGPUYUYRJE-NSHDSACASA-N 295.766 3.567 30 20 CHED C=CCCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F 748239847 KTAKFDOIBKSXPU-UHFFFAOYSA-N 294.219 3.782 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)c1ccc(CC)cc1 748240664 RLJPECKHUGYVKZ-CYBMUJFWSA-N 274.360 3.720 30 20 CHED C[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)C(C)(C)C 749201967 KSBKUFBQCBRBHZ-CYBMUJFWSA-N 299.418 3.529 30 20 CHED CCCCCCCCN1CC[C@H]([C@@H]2CCOC2)C1 750253174 XDGGJHBSKJKIIV-JKSUJKDBSA-N 253.430 3.705 30 20 CHED COc1ccc(NN=Cc2ccc3ccccc3n2)cc1 750925675 ROLQPGVCOLFCPM-UHFFFAOYSA-N 277.327 3.689 30 20 CHED C[C@H]1CCC(=NNc2ccc(Cl)nn2)c2ccccc21 752718605 NLFPKIMTTAQHOZ-JTQLQIEISA-N 286.766 3.844 30 20 CHED CC(=Nn1cc(Br)cn1)c1ccc(Cl)cc1 752745993 HJDJOXWLDFRHBX-UHFFFAOYSA-N 298.571 3.571 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 754432863 YBGQHASSFKPKLL-OLZOCXBDSA-N 294.443 3.856 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccc(O)c(F)c1 755592270 HDYYWVUGURCYJT-QHHAFSJGSA-N 274.266 3.875 30 20 CHED Cc1ccc([C@H](C)NCc2cccc(C#N)c2)c(O)c1C 756392851 KIQNQEBFSGLHLC-AWEZNQCLSA-N 280.371 3.732 30 20 CHED Cc1ccc([C@@H](C)NCc2cccc(C#N)c2)c(O)c1C 756392868 KIQNQEBFSGLHLC-CQSZACIVSA-N 280.371 3.732 30 20 CHED C=C(CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 756483738 PGFMIZIEJCEOIF-CYBMUJFWSA-N 298.342 3.664 30 20 CHED Cc1ccccc1C(=NN=c1cc[nH]cc1Cl)C1CC1 756842525 UDCUHEIUVXADJS-UHFFFAOYSA-N 285.778 3.692 30 20 CHED CC(C)=C(C)C(=O)Nc1sc2c(c1C#N)CCCC2 757343915 WZBLOHLMQBEPCT-UHFFFAOYSA-N 274.389 3.793 30 20 CHED Clc1ccc(-c2nc(C=NNC3CC3)cs2)cc1 758132556 HHDADLXBDOELQM-UHFFFAOYSA-N 277.780 3.549 30 20 CHED CC(CC1CCC1)=NNc1nc(-c2ccccc2)no1 758374150 BJVMVPZAKMTXJG-UHFFFAOYSA-N 270.336 3.715 30 20 CHED C[C@@H](C=NNc1ncccc1[N+](=O)[O-])CCc1ccccc1 759203220 LUTGBGZZAUESGZ-CYBMUJFWSA-N 298.346 3.656 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccccc1C 761884189 HIQOKVGBLXKIDD-UHFFFAOYSA-N 272.323 3.979 30 20 CHED CC#CC(=O)Nc1ccccc1Oc1cccc(F)c1 764423023 HOXKFYKCCVNLJN-UHFFFAOYSA-N 269.275 3.580 30 20 CHED CC(CCc1ccsc1)=NO[C@H]1CCCCO1 764909011 ZMONMIIFYBYVBO-ZDUSSCGKSA-N 253.367 3.600 30 20 CHED CC(C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1)=C1CCCC1 765948537 UXELTGFIWZJOQP-AWEZNQCLSA-N 293.370 3.938 30 20 CHED Cc1ccc(F)c(C(=O)OCc2ccccc2C#N)c1F 766631923 VFYADBJDSRZMEL-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1nc2ccccc2s1 767076354 HDLMHBLDBOGMPB-LBPRGKRZSA-N 286.400 3.667 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1occc1C 767792533 OEWZGOPHKJUTQX-UHFFFAOYSA-N 262.740 3.755 30 20 CHED C#CCCN(C[C@H](C)c1ccccc1)CC(F)(F)F 767899788 MQSMTLCPDUFGFZ-ZDUSSCGKSA-N 269.310 3.678 30 20 CHED Cc1cccc(C(=O)OCCCCC(C)(C)C#N)c1 768393570 FWBGCXQIUNPVOA-UHFFFAOYSA-N 259.349 3.872 30 20 CHED CC(C)C(CCc1ccccc1)=NNCC(F)(F)F 769808018 HAFWHRXJHOBUNN-UHFFFAOYSA-N 272.314 3.783 30 20 CHED COc1ccc(C#N)cc1COC(=O)/C=C(\C)C(C)(C)C 772277709 GLQOBNSEYXACEB-XYOKQWHBSA-N 287.359 3.602 30 20 CHED C#CCN(Cc1ccc(COC)o1)[C@@H]1CCc2ccccc21 772599154 NRZYPLBJOQOGLT-LJQANCHMSA-N 295.382 3.549 30 20 CHED C#C[C@@H](C)NC(=O)CCC(=O)c1ccc(CCCCC)cc1 772972991 OFSJBMSNGPOIJZ-OAHLLOKOSA-N 299.414 3.520 30 20 CHED CC(=NNc1nccnc1C(C)C)c1sccc1C 773085735 KSQFJIPBFNKOQU-UHFFFAOYSA-N 274.393 3.806 30 20 CHED C#CCCCCC(=O)N[C@H]1CCC[C@@H]1CCC(C)C 773298007 AQERBJWQJGCTFI-CVEARBPZSA-N 263.425 3.901 30 20 CHED N#CC1(C(=O)OCc2cccc(Cl)c2Cl)CCC1 773426011 PEWIBKSDBBMUHZ-UHFFFAOYSA-N 284.142 3.730 30 20 CHED CCC(CC)CNN=Cc1cc(F)cc2cccnc12 774476369 FMUVSVHNXYLTBW-UHFFFAOYSA-N 273.355 3.734 30 20 CHED Cc1cccc(OC(=O)c2cc(C#N)cs2)c1Cl 774665495 ZYDSDBYFFHXGTG-UHFFFAOYSA-N 277.732 3.801 30 20 CHED CCCN(C(=O)c1ccc(C#N)c(Cl)c1)c1cccnc1 777716699 HYBOSNNLDUNYPY-UHFFFAOYSA-N 299.761 3.663 30 20 CHED C#CCCCCCC(=O)NC1(c2ccccc2)CCC1 779758425 LZRNBZNKSUVZCY-UHFFFAOYSA-N 269.388 3.766 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CSc2ccccc21 779913176 FPLVGLFMMLMMDH-CQSZACIVSA-N 273.401 3.533 30 20 CHED Cc1ccc(F)c(/C=C2/Cc3cc(O)ccc3C2=O)c1 780187499 FOYUSAXJGGAIKR-JYRVWZFOSA-N 268.287 3.662 30 20 CHED C[C@@H](CC1CCC1)Nc1ccccc1O[C@H](C)C#N 780744305 LIAPTNXVMMYONU-QWHCGFSZSA-N 258.365 3.968 30 20 CHED C#CCCCN1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 781947399 JSDYUPJKKOUBLH-BBRMVZONSA-N 277.795 3.515 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1cccc2cccnc12 782249020 GYZONQPNRWMBLQ-UHFFFAOYSA-N 296.370 3.650 30 20 CHED Cc1ccc(C(=O)/C=C/c2scnc2C2CC2)o1 782323790 RHYJQYZOYIPQEA-FNORWQNLSA-N 259.330 3.818 30 20 CHED N#Cc1ccc(COC(=O)CCC2CCC2)c(Cl)c1 784230440 MSTJVFRFKTWFMA-UHFFFAOYSA-N 277.751 3.835 30 20 CHED Cc1cc(C=NNc2cccc(Br)c2)sn1 785452626 GJFZVCFGUAKYPC-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(=O)oc2cc(C)c(C)cc12 785996550 DRGRWOKASRHTOI-INIZCTEOSA-N 297.398 3.950 30 20 CHED C[C@@H](OC(=O)c1cc2occc2[nH]1)c1ccc(C#N)cc1 786030080 BOVNWQKNALRNTL-SNVBAGLBSA-N 280.283 3.551 30 20 CHED CC(C)c1nc(/C=C/C(=O)c2cncs2)c2ccccn12 787171548 BDIGSXMAMJCAMF-VOTSOKGWSA-N 297.383 3.810 30 20 CHED C=CCCC(=O)OC/C=C\c1ccc(Cl)cc1 787687020 MZOIORKFEFBRBH-PLNGDYQASA-N 250.725 3.863 30 20 CHED C#CCC1(C(=O)Nc2cc(CC)ccc2O)CCCCC1 788520090 FVCKRSFHGFUHRZ-UHFFFAOYSA-N 285.387 3.867 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)C1CCC(F)(F)CC1 788725610 KGODEGYCNXRDIT-UBHSHLNASA-N 270.367 3.966 30 20 CHED CSCCON=C1C[C@@H](Oc2ccccc2)C1(C)C 789054895 QOHPXRZMVRZVRF-CQSZACIVSA-N 279.405 3.600 30 20 CHED C#CCCCCC(=O)OCCSCc1ccccc1 790661167 BWQJMHSLQGSCRK-UHFFFAOYSA-N 276.401 3.657 30 20 CHED C=CCCN(C)Cc1cnn(Cc2ccccc2)c1Cl 793588488 BKVNZAKBAXZTKS-UHFFFAOYSA-N 289.810 3.593 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)o1)c1ccc(Cl)s1 794329877 TXDJXRGOUMSIEZ-VIFPVBQESA-N 294.763 3.747 30 20 CHED FCC[C@H]1CCCC1=NNc1ncnc2ccsc12 794920522 MSBHWXGCIGDNJB-SECBINFHSA-N 278.356 3.619 30 20 CHED CC1(C)C[C@@H](NN=C/C=C/c2ccc(F)c(F)c2)CCO1 794932702 JNLOFQKCRCQAMH-WEJZVDBPSA-N 294.345 3.511 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1cncnc1 794979028 VBJUIABQTUXMNH-UHFFFAOYSA-N 268.364 3.632 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1ncccc1F 794980452 LGRULPQZENSMRG-NSHDSACASA-N 269.323 3.853 30 20 CHED C=CCC[C@@H](C(=O)OCc1ccnc(C)n1)c1ccccc1 795598246 SGTWZHPTUPOPOM-QGZVFWFLSA-N 296.370 3.578 30 20 CHED N#CCCCN(Cc1ccccc1)C[C@@H](O)c1ccccc1 796362855 YXQMLBHQBCTOQP-LJQANCHMSA-N 294.398 3.526 30 20 CHED N#CC1(COC(=O)Cc2coc3ccccc23)CCCCC1 797241905 FVQMRTBMZRZRGY-UHFFFAOYSA-N 297.354 3.993 30 20 CHED C#Cc1cncc(C(=O)N(CCC(C)C)CCC(C)C)c1 798172550 MBGQBXWXCBAPIX-UHFFFAOYSA-N 286.419 3.597 30 20 CHED COc1ccccc1CON=C1CCC12CCCC2 799117157 FWEFKYDNKFLAHK-UHFFFAOYSA-N 259.349 3.922 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(C)C 799182363 PUDAMWYVYHAMHV-NSHDSACASA-N 285.174 3.773 30 20 CHED Cc1ccc(C(=O)Nc2c(C)cccc2F)cc1C#N 799363105 TVKOPRKVHBALQD-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1c(C)c(O)c(C=NOCc2ccccc2)c(C)c1O 799874553 QGONYUURHSDEAN-UHFFFAOYSA-N 285.343 3.574 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)oc1C 799896140 GQIBYSUESCMXEN-SREVYHEPSA-N 271.272 3.701 30 20 CHED Cn1cc(-c2ccc(/C=C\C(=O)c3ccco3)s2)cn1 800794405 FMXUJFVNMMNIAK-XQRVVYSFSA-N 284.340 3.638 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(-c2cnn(C)c2)s1 800794872 SJATXOZCOVIDKI-HYXAFXHYSA-N 298.367 3.946 30 20 CHED C[C@@H](c1ccccc1Cl)N(CCO[C@H](C)C#N)C1CC1 801917828 RNDLLFYJXKGYTR-OLZOCXBDSA-N 292.810 3.794 30 20 CHED C[C@@H](C#N)OCCN[C@H](C)c1cc(Cl)ccc1Cl 801937256 ILPOEJXSYOFZTC-VHSXEESVSA-N 287.190 3.573 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1CC(C)(C)C1 803754540 GUCRNKVOCACXEQ-UHFFFAOYSA-N 251.370 3.686 30 20 CHED C#CCCCCCC(=O)NC(C1CCC1)C1CCC1 804730218 ACPHFVPDSGMPCM-UHFFFAOYSA-N 261.409 3.655 30 20 CHED C[C@H](CC(=O)OCCCSCC#N)C1CCCCC1 805433709 LANHOWGERMZOSR-CYBMUJFWSA-N 283.437 3.783 30 20 CHED COc1ccc(/C=C/C(=O)c2ccco2)c(C)c1OC 806573734 QXRCLVKHAPJVEW-SOFGYWHQSA-N 272.300 3.501 30 20 CHED C=C(CNC(=S)Nc1ccccc1OC)c1ccccc1 806595198 RXNRWNJHFPAJNQ-UHFFFAOYSA-N 298.411 3.695 30 20 CHED CCOc1cccc(C=NNc2nccnc2C2CCC2)c1 807991835 TTZAUHQZMHUOHC-UHFFFAOYSA-N 296.374 3.589 30 20 CHED CCC(CC)N(CC)C(=O)/C=C/c1ccccc1C#N 809334153 ZTPYALFIDTYUSR-VAWYXSNFSA-N 270.376 3.609 30 20 CHED C#CCOc1ccccc1-c1noc(C(C)(C)C(C)C)n1 809395166 CPIJUIAFNDYPTC-UHFFFAOYSA-N 284.359 3.682 30 20 CHED C#Cc1ccc(CNc2ccccc2N2CCCC2)cc1 809596971 GEWOYUFADLVUOA-UHFFFAOYSA-N 276.383 3.880 30 20 CHED C#Cc1ccc(CNCc2ccc(N(CC)CC)cc2)cc1 809607058 NNUZDADFNMFOMC-UHFFFAOYSA-N 292.426 3.804 30 20 CHED C#CCOc1ccccc1CN1CCC=C(c2ccco2)C1 809688308 GZQXSELZOOMZFU-UHFFFAOYSA-N 293.366 3.581 30 20 CHED C#Cc1ccccc1Cc1nc([C@H](C)CCC)no1 810283831 DXXPBURTGQPKHB-GFCCVEGCSA-N 254.333 3.545 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)OC1(CC#N)CCC1 810859487 LNYRRFLQPMHYKP-NWDGAFQWSA-N 275.373 3.540 30 20 CHED C#C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(Cl)cc1 811950083 VCDZENHCSFEIEB-NSHDSACASA-N 294.137 3.691 30 20 CHED Cn1cc(/C=C2/CCCC(C)(C)C2=O)c(C(F)F)n1 812243458 MQTIRAXEYJHPQB-CLFYSBASSA-N 268.307 3.520 30 20 CHED C[C@H]1C(=NOCc2ccccc2)CC[C@H](C(=O)O)C1(C)C 814792479 RMODEHUESXJSHP-GXTWGEPZSA-N 289.375 3.716 30 20 CHED CO[C@@](C)(C=NNc1ccc(C(F)(F)F)cc1)C1CC1 814882672 VLTFLFSCGGPKJX-ZDUSSCGKSA-N 286.297 3.918 30 20 CHED CC[C@@H](C=NNCc1ccc(C#N)cc1)c1ccccc1 814882951 UAFNITLJOIBGRD-KRWDZBQOSA-N 277.371 3.827 30 20 CHED CSc1ccc(C(C)=NN[C@@H](C)c2ccncc2)cc1 819815442 QMTAJBKMVCSLGU-ZDUSSCGKSA-N 285.416 3.878 30 20 CHED C[C@H](C=NN[C@@H](C)c1ccncc1)CCc1ccccc1 819815541 ATLSOUJSAKOLNX-HOTGVXAUSA-N 281.403 3.987 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc([C@H]2CCOC2)cc1 820702406 RNXIDDUCCSEFDA-HIFRSBDPSA-N 273.376 3.731 30 20 CHED C=CCCCC(=O)Nc1nc2ccc(Cl)nc2s1 823720115 YUDOHGFSWHXAJU-UHFFFAOYSA-N 281.768 3.640 30 20 CHED C#CCO[C@H](C)C(=O)N(C1CCCC1)[C@H](C)c1ccccc1 823826631 MSCWEQHUSJNGOI-HZPDHXFCSA-N 299.414 3.557 30 20 CHED CC(C)Oc1ccc(N[C@H]2CSC[C@H]2C)cc1C#N 824125934 QLUJEBNTLBXEMS-RISCZKNCSA-N 276.405 3.509 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)OCc1ccnc(C#N)c1 830092213 VBDPJAUGESUUEH-AWEZNQCLSA-N 286.375 3.769 30 20 CHED CC(=NNc1nc(-c2cccnc2)no1)[C@@H]1CCCC[C@@H]1C 834983372 WTESYGSGCBAHHT-SMDDNHRTSA-N 299.378 3.746 30 20 CHED CC(=NNc1ccc(C)cc1Cl)c1cn(C)c(C)n1 835010751 ADSMTAOLWGOWQJ-UHFFFAOYSA-N 276.771 3.526 30 20 CHED COC(=O)c1ccc(NN=C2CCC[C@H]2CCF)cc1F 835017925 CRDAPHJGFXIHDW-JTQLQIEISA-N 296.317 3.540 30 20 CHED C#CCCCCCCOC(=O)[C@H]1CCC(=O)c2ccccc21 835715202 UJNDBPMSHSITMJ-KRWDZBQOSA-N 298.382 3.874 30 20 CHED C#C[C@H](CC)NC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 836424931 QLLRPJLLOGNPFW-SJORKVTESA-N 296.414 3.725 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(C(C)(C)C)c1O 837542643 PPLCXVOBPYZUDS-UHFFFAOYSA-N 273.376 3.678 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C2(Cc3ccccc3)CC2)C1 839050743 CETSCGRJASEPHA-JKSUJKDBSA-N 283.371 3.635 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3cccnc3s2)C1 839055227 FKIDRBKWCGUDCV-ZYHUDNBSSA-N 286.356 3.535 30 20 CHED C#CCCN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 839138620 SFFDLKAMLLTYIZ-HNNXBMFYSA-N 287.794 3.767 30 20 CHED C=C(Cl)COC(=O)c1occc1COc1ccccc1 839223886 FQZSWAPCVJTLRR-UHFFFAOYSA-N 292.718 3.768 30 20 CHED C#CC[C@@H](NC(=O)c1scnc1C(C)C)c1ccccc1 839310962 AOVORBHIGANGIV-CQSZACIVSA-N 298.411 3.761 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(Cl)n1 839329108 NSPDJOPHHSKWHH-UHFFFAOYSA-N 273.163 3.929 30 20 CHED C#CC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccccc1 840935707 AWKOVEGTMIZAGL-HXUWFJFHSA-N 292.426 3.915 30 20 CHED CCCCCCCC(=O)N[C@H]1COCc2ccccc21 841357857 NUOVZMOOBJMIPX-INIZCTEOSA-N 275.392 3.735 30 20 CHED C#C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 843637858 WISVOQLLZOQLAN-LMFLDHGRSA-N 293.410 3.694 30 20 CHED C#CC1CCN(C(=O)c2cc3cccc(Cl)c3o2)CC1 843706116 JODPOJCJPAOBLC-UHFFFAOYSA-N 287.746 3.572 30 20 CHED COC(=O)Cc1ccc(NN=C[C@H]2CCC[C@@H](C)C2)cc1 844606325 UKRWUAUUFHPJLV-HIFRSBDPSA-N 288.391 3.626 30 20 CHED C=C[C@H](C)ONC(=O)N(Cc1ccccc1)CC1CCC1 845632473 BFIAJNXNEQVVLV-AWEZNQCLSA-N 288.391 3.504 30 20 CHED N#CCCCCOC(=O)CCCc1c(F)cccc1F 847648147 UZGSLRGEYKDDIF-UHFFFAOYSA-N 281.302 3.525 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(C(F)F)nc1 848815270 ZCTJXKJORKKFSG-UHFFFAOYSA-N 296.317 3.896 30 20 CHED N#CC1(CC(=O)OC[C@H]2CCCSC2)CCCCC1 851023079 VMPJCSXNPTZMLB-CYBMUJFWSA-N 281.421 3.537 30 20 CHED Fc1ccc(CON=CC2CC2)cc1Br 853735870 CLHSEOUZJXGVMS-UHFFFAOYSA-N 272.117 3.501 30 20 CHED C=C(Cl)CSCCC(=O)Nc1ccc(OCC)cc1 853783614 NODFPZGRUAOEAY-UHFFFAOYSA-N 299.823 3.900 30 20 CHED C#CCCCC(=O)Nc1ccc2ccn(C(F)F)c2c1 855528945 BBKVGZJGURPVCP-UHFFFAOYSA-N 276.286 3.778 30 20 CHED C#CCCOC(=O)N1CCC[C@@H](C)c2ccccc21 859104748 IFYYTDUWZRTIIK-CYBMUJFWSA-N 257.333 3.550 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cccnc1C(F)(F)F 859651672 PMMXBFJBESWUSV-CYBMUJFWSA-N 287.281 3.746 30 20 CHED CC[C@H](C)c1ccc(C(C)=NNc2cncnc2)cc1 863112478 UCKZUFDVSDWAFS-LBPRGKRZSA-N 268.364 3.826 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C)c(N2CCCC2)c1 874942086 AJVGCBJXUOEVIS-UHFFFAOYSA-N 272.392 3.746 30 20 CHED C=CC(C)(C)CC(=O)NC1CCN(C2CCCCC2)CC1 879068199 RKCHRCCHIREJIA-UHFFFAOYSA-N 292.467 3.502 30 20 CHED C#CC(C)(C)NC(=O)Nc1cc(C)ccc1C(F)(F)F 880110391 GQVNJKJFWXWKFU-UHFFFAOYSA-N 284.281 3.547 30 20 CHED C#CCC1(C(=O)N[C@@H]2CCCc3cccnc32)CCCCC1 885364940 JZGBACDHLFKZBJ-MRXNPFEDSA-N 296.414 3.549 30 20 CHED C=C1CCC(C(=O)NC[C@@H](c2cccnc2)C(C)C)CC1 889418518 MMKHOILMUXIBQL-QGZVFWFLSA-N 286.419 3.684 30 20 CHED Cc1nn(C(C)C)c(C)c1CNc1ccc(CC#N)cc1 893575943 LVQSZUAQYNGNKL-UHFFFAOYSA-N 282.391 3.759 30 20 CHED C=C1CC(c2noc(-c3csc(C(C)C)n3)n2)C1 896881118 DWEMFULKMVPSHH-UHFFFAOYSA-N 261.350 3.750 30 20 CHED C=CCCC[C@H](NCc1csc2ccccc12)C(=O)O 900068531 KEMFIRNSMZFKOP-AWEZNQCLSA-N 289.400 3.800 30 20 CHED N#CC1(CCCCn2cc(C(F)(F)F)ccc2=O)CCC1 901351018 KJGHBHNCOZACAA-UHFFFAOYSA-N 298.308 3.731 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@H]1CCC(C)C)C(=O)O 901689784 GRYOQXKHZMLDCR-ZNMIVQPWSA-N 267.413 3.600 30 20 CHED C=CCC[C@H](NC1CCC(C(C)(C)C)CC1)C(=O)O 901691587 ANMDFFNRTGRYDI-RUXDESIVSA-N 267.413 3.600 30 20 CHED C=CCCCC[C@@H](C)NCC1(C(=O)O)CCCCC1 901784502 SYJKWPCJEHJPCV-CQSZACIVSA-N 267.413 3.746 30 20 CHED C=CC1(CC(=O)NCCCCCCC(=O)O)CCCCC1 907582057 NYMRVAGXWDHTLB-UHFFFAOYSA-N 295.423 3.664 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C(/C)Cl 908154570 BENYFYGLXWYSFR-MLPAPPSSSA-N 295.814 3.511 30 20 CHED Cc1cccc(C=NNc2ncccc2C(F)(F)F)c1 915050956 HFYQUROJCCXCNA-UHFFFAOYSA-N 279.265 3.855 30 20 CHED CCc1ccccc1NN=C(C)c1ccc2c(c1)OCCO2 915051329 DKZFMVZTSOJLCS-UHFFFAOYSA-N 296.370 3.856 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(OC(C)C)cc1 915985824 QKUSQEYFGWGDMD-KTKRTIGZSA-N 284.359 3.710 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1cn(C)nc1C 917530617 QPOMXZMEQSWHDS-UHFFFAOYSA-N 297.189 3.871 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)/C=C\c2ccccc2C#N)C1 919866673 NWYLBOIBSINQTN-TWEVIJGYSA-N 282.387 3.514 30 20 CHED CCCCCCCCC(=O)NC[C@H](O)c1cccc(F)c1 921081777 PBENKWLAGUHYMR-INIZCTEOSA-N 295.398 3.726 30 20 CHED C[C@H]1Cc2cc(CNC3CCC(C)(C#N)CC3)ccc2O1 922702145 VSFYHIUNIOEOTL-BELGNNRLSA-N 284.403 3.572 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 925294920 WACMWVWBIGPXDO-DVOMOZLQSA-N 292.398 3.556 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cnn(-c2ccccc2)c1 925943617 RDAVICMOIAWRJE-ZDUSSCGKSA-N 268.364 3.613 30 20 CHED C=CCCCCCCCCN[C@H]1C[C@H](C)n2ncnc21 926426659 LRFPIUNYBSUSDQ-GJZGRUSLSA-N 276.428 3.790 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 935323593 HRCNAZPUSIYZHL-JLJPHGGASA-N 282.387 3.517 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 935787990 USOYTDGJMPECNS-NOLJZWGESA-N 275.367 3.790 30 20 CHED CN(Cc1ccc2ccccc2c1)c1cccc(CC#N)n1 1116636243 HMHHQXOUSGSTDF-UHFFFAOYSA-N 287.366 3.937 30 20 CHED C#C[C@@H](C)OC(=O)c1nc(-c2ccccc2)oc1C(C)C 1122633665 PSZGAFAEIZBQKM-GFCCVEGCSA-N 283.327 3.644 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)C1CC=CC1)c1cccs1 1123008113 CGGSALYLOOVZRF-FZMZJTMJSA-N 275.373 3.848 30 20 CHED CCc1cccc(Cl)c1CNCC(C)(C)CC#N 1178922450 WUCBHNMRTHSHOU-UHFFFAOYSA-N 264.800 3.932 30 20 CHED N#Cc1nccc(Sc2ccc3c4c(cccc24)CC3)n1 1187389780 CQIVJUXHKCPZEU-UHFFFAOYSA-N 289.363 3.751 30 20 CHED Cc1ccc(S[C@@H](C)c2cccc(C#N)c2)nn1 1188830807 MEEDAJCHNFEQPJ-NSHDSACASA-N 255.346 3.510 30 20 CHED CC[C@H](C)CC(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1263619953 HXWVDTAVLHAWLH-UWVGGRQHSA-N 289.766 3.829 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C#N)cc2F)c2ccccc21 1264541809 WTURBXZOYQQHQU-LBPRGKRZSA-N 294.329 3.851 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)[C@H](CC#N)c1ccccc1 1275116893 OTHXPARUAHVTMP-UKRRQHHQSA-N 272.392 3.625 30 20 CHED CSc1ccc(C)c(C(=O)OCc2ccccc2C#N)c1 1317793355 MCLVPIBZNBVBBT-UHFFFAOYSA-N 297.379 3.946 30 20 CHED O=C1/C(=C/c2ccc(N3CCCC3)cc2)Oc2ccccc21 1318724758 UWFOCNUBBZOBAE-AQTBWJFISA-N 291.350 3.903 30 20 CHED CCc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)o1 1319974402 QOAHCVYHMMFWER-GFCCVEGCSA-N 270.332 3.917 30 20 CHED Cc1ccc(C)c(OCc2nnc(C3(C#N)CCCC3)o2)c1 1322128393 QMRDYIYBJQAWFB-UHFFFAOYSA-N 297.358 3.601 30 20 CHED Cc1cccc([C@H](C)NC(=O)CC#Cc2ccccc2)c1C 1323875596 GNLFRVKKBNWAHK-KRWDZBQOSA-N 291.394 3.922 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(OC)c(-c2ccccc2)c1 1324562566 XMBVQKUEWQTLGS-MRXNPFEDSA-N 293.366 3.504 30 20 CHED CC(C)N(CCSCc1ccc(C#N)s1)C(C)C 1329100699 WMMQQPHMCVEFBU-UHFFFAOYSA-N 282.478 3.972 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc(-c2ccccc2)s1 1329887820 MGRRIIKRZVSWDN-CYBMUJFWSA-N 284.384 3.789 30 20 CHED Cc1nnc(C)n1N=Cc1ccc(-c2ccccc2)s1 1330160707 CDSXXYMSPOITJG-UHFFFAOYSA-N 282.372 3.506 30 20 CHED COCc1cc(C#N)ccc1N[C@H](C)c1ncccc1C 1339870204 BGTYFKQADDXLTP-CYBMUJFWSA-N 281.359 3.581 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2cnc(Cl)cc2C#N)CC[C@H]1C 1340723297 YQKNBZPFMZGPRX-OUAUKWLOSA-N 291.782 3.617 30 20 CHED C=CCc1cc(/C=C\c2cc(C#N)ccn2)cc(OC)c1O 1344741094 ULDVXOXRFHMOJD-WAYWQWQTSA-N 292.338 3.566 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1F 1345755059 LLSMBZWRZDJKSD-GFCCVEGCSA-N 280.318 3.927 30 20 CHED CCCC[C@H](CC)CC(=O)[C@@H](C#N)c1nccn1CC 1347339566 YNCMJNSXGDACGW-UONOGXRCSA-N 275.396 3.686 30 20 CHED C=C[C@@H](C(=O)N1CCC(F)(F)C[C@H]1C)c1ccccc1 1347352721 QVTGIMNOALQJTI-TZMCWYRMSA-N 279.330 3.602 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cnc(Cl)cc1C#N 1349668445 VPJUEMWXUHJWRJ-PWSUYJOCSA-N 291.782 3.762 30 20 CHED CCCCCCCC[C@@H](O)CCC(=O)N1CC2(CC2)C1 1350945345 VIWPZVNCGUFHTA-OAHLLOKOSA-N 281.440 3.501 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cncc2ccccc12 1353906317 TXPONUCZGBCXJF-HNNXBMFYSA-N 280.371 3.806 30 20 CHED CC1(C)CC(NC(=O)c2sccc2C#N)CC(C)(C)C1 1357819114 OKPGOOQFGUDKLM-UHFFFAOYSA-N 290.432 3.954 30 20 CHED CCC1(CNc2ccc(Cl)c(C#N)n2)CCCC1 1458252743 KAKBZOBOUOUWMN-UHFFFAOYSA-N 263.772 3.989 30 20 CHED CC1(C)CCC(C)(CNC(=O)NCC2(C#N)CCC2)CC1 1470540012 NOOIHSXUYXFSCY-UHFFFAOYSA-N 291.439 3.586 30 20 CHED N#Cc1ccc(CCN2CC3(CC3)c3ccccc32)cc1 1473398925 SWBWBOQIKBESGQ-UHFFFAOYSA-N 274.367 3.653 30 20 CHED C[C@@H]1CN(C(=O)Nc2cc(F)cc(C#N)c2)CC(C)(C)C1 1476982537 FRHRETVIGKOWQO-NSHDSACASA-N 289.354 3.597 30 20 CHED C=C(CC)C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 1521756617 FXECCCNCVHTRCE-UHFFFAOYSA-N 283.293 3.556 30 20 CHED CSc1ccc(CCC(=O)O[C@H]2CC[C@@H](C#N)C2)cc1 1525006740 PNWMTMCGNOVADB-KGLIPLIRSA-N 289.400 3.577 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc2cccc(Cl)c2s1 1526804606 KMOQTKBDEUANHU-SNVBAGLBSA-N 292.791 3.929 30 20 CHED N#CC[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccco1 1526992266 KJXYNFTVUZZZJU-SQWLQELKSA-N 299.301 3.720 30 20 CHED CCCN(C(=O)Cc1ccc(C#N)cc1)c1ccccc1F 1532195547 KOQZHGAOEDOPDF-UHFFFAOYSA-N 296.345 3.683 30 20 CHED CCN(C(=O)c1cc2c(ccc3ccccc32)o1)[C@H](C)C#N 1587001265 WZDPBHJZMTUSFR-GFCCVEGCSA-N 292.338 3.960 30 20 CHED C[C@H]1C(=NN2CCC(C(C)(C)C)CC2)CC[C@H]1CC(=O)O 1594120314 DYTKGHWWITYFKJ-OLZOCXBDSA-N 294.439 3.621 30 20 CHED O=C(O)/C=C\c1ccc(/C=C\C(=O)C2CCCCC2)o1 1601877715 TZJACFYILUGDSU-WGEIWTTOSA-N 274.316 3.540 30 20 CHED CC(C)N1CCCC[C@H]1CSc1ccc(C#N)cc1 1613488870 XPWOPGPMDDUWJM-HNNXBMFYSA-N 274.433 3.913 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1CCOc1cccc(C#N)c1 1615989147 XLKOTGIVXIOZSY-YJBOKZPZSA-N 286.419 3.838 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C#N 1617557607 WSJGVSOGPLOEIV-VHSXEESVSA-N 264.756 3.832 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)OC1CCCCC1 1622251912 JOWNWIGJBUUIGG-QGZVFWFLSA-N 298.386 3.995 30 20 CHED C[C@@H]1CC(C)(C)CN1Cc1ccc(C#N)cc1OC(F)F 1653909997 RCLXTJMIDSDCEE-LLVKDONJSA-N 294.345 3.780 30 20 CHED CC(C)[C@@H]1CCCCCN1CCOc1cccc(C#N)c1 1653916985 WHBNUJSSWINPMS-SFHVURJKSA-N 286.419 3.838 30 20 CHED CC(C)(C)c1csc(NC(=O)NC/C=C/Cl)c1C#N 1670299371 UCQZERZWKZPGFQ-SNAWJCMRSA-N 297.811 3.791 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@@H]2Cc2ccccc2)cc1 1776014518 UFCHFHHFYXSHRB-OAHLLOKOSA-N 294.354 3.805 30 20 CHED C=C[C@@H]1CCCN([C@@H](C(=O)O)c2ccc(F)c(Cl)c2)C1 1776150260 DPAUZCHKCXQSPQ-QMTHXVAHSA-N 297.757 3.503 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2cc3ccccc3o2)C1 1776159750 AVUCBKVTVYGOFM-SFHVURJKSA-N 299.370 3.676 30 20 CHED COc1cc(/C=C2\CCc3ccccc3C2=O)ccc1O 1640570 GHRBLBVVQILNGN-GXDHUFHOSA-N 280.323 3.613 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(F)c2)cc(OC)c1 4394064 MOCVZPDKSXUZOV-VOTSOKGWSA-N 286.302 3.739 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5129814 GPLGYCDTVBOANI-UXBLZVDNSA-N 297.310 3.808 30 20 CHED N#Cc1ccsc1NC(=O)CCc1c[nH]c2ccccc12 14626606 JTPHMHSUMMGAEO-UHFFFAOYSA-N 295.367 3.672 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1cc(Cl)ccc1O 38921613 BJLBUIYKSNQHQA-GQCTYLIASA-N 274.703 3.647 30 20 CHED CCN(CCC#N)Cc1ccc(Cl)c(Cl)c1 42256225 RAWISGKUZYUBRT-UHFFFAOYSA-N 257.164 3.729 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 44958829 OHQNCGHLAKDSSD-NEPJUHHUSA-N 277.330 3.780 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC=CCC1 45403779 RKYPBIMWXPLMJE-KRWDZBQOSA-N 282.387 3.653 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 46550438 ZNWNNJARZDCCBV-SFHVURJKSA-N 275.351 3.727 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2cccc(Cl)c2)nc1 48565698 QMFYWYHPYUILOJ-HNNXBMFYSA-N 283.762 3.948 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCc2cc(F)ccc21 48962650 RISWXHVNOHDIDG-INIZCTEOSA-N 270.282 3.936 30 20 CHED CCCCCCCCN[C@@H]1CCCc2c1cnn2C 59261231 YJRKRISGSAKPQZ-OAHLLOKOSA-N 263.429 3.748 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cscn1 59895258 SXTDGMJHZHIQQV-UHFFFAOYSA-N 298.820 3.686 30 20 CHED CCCOc1cccc(C(=O)N(C)c2cccc(C#N)c2)c1 63326919 FFFCSRPSZCSBJU-UHFFFAOYSA-N 294.354 3.624 30 20 CHED Cc1sc(NC(=O)CC2CCCC2)c(C#N)c1C 69260288 WIOJKPUYPRERFW-UHFFFAOYSA-N 262.378 3.755 30 20 CHED COc1cc(C#N)ccc1OC(=O)CCC1CCCCC1 72100759 XULXHDYUYVUPQB-UHFFFAOYSA-N 287.359 3.833 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)CC(C)(C)C)cc1 72678931 JOEVLKWTNZZWII-UHFFFAOYSA-N 288.391 3.768 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cccc(C#N)c2)C1 75984670 CLEWPILIAVGPLT-IUODEOHRSA-N 271.364 3.601 30 20 CHED COC(=O)CCCOc1ccc(-c2ccc(C#N)cc2)cc1 76176591 XVRUNSDLMXWAHA-UHFFFAOYSA-N 295.338 3.557 30 20 CHED Cc1noc(C)c1C[C@H](C)Nc1c(Cl)cccc1C#N 78294954 MEAMDRPDKQQPKJ-VIFPVBQESA-N 289.766 3.860 30 20 CHED N#Cc1ccccc1NCc1cc(F)cc(Cl)c1 83442267 KHBQQBNYYFPWRY-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(SC(F)(F)F)cc1 84712925 GONOBXPEERBMAP-SECBINFHSA-N 289.278 3.757 30 20 CHED Cc1c(C#Cc2ccncc2)cccc1C#Cc1ccncc1 90375606 XZBXDOGIIUDHHR-UHFFFAOYSA-N 294.357 3.585 30 20 CHED CCN(Cc1cc(C(F)(F)F)ccc1F)C[C@H](C)C#N 91983642 YVTHXVAKXMTPMI-SNVBAGLBSA-N 288.288 3.826 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@H](C#N)c1ccccc1F 108799595 SKYFXCSDGJOQMH-IUODEOHRSA-N 276.355 3.579 30 20 CHED C=C(C)C/N=C(\N)N[C@@H](C)c1ccc(Cl)cc1Cl 114087791 UUZQGRAGOCERNK-VIFPVBQESA-N 286.206 3.535 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)[C@H]1CCCNC1 116306665 JDUKHMDPJFWMPJ-HOTGVXAUSA-N 282.472 3.631 30 20 CHED COCCOc1ccccc1N[C@@H](C)c1ccc(C#N)cc1 118443234 ALTJABPMDOFACS-AWEZNQCLSA-N 296.370 3.757 30 20 CHED N#CCC[C@@H](C#N)CN[C@@H](c1ccc(F)cc1)C1CCC1 119901100 COJYRIFFHXPTPT-SUMWQHHRSA-N 285.366 3.700 30 20 CHED CC[C@@H](C)c1ccc([C@H](NC(=O)CC#N)C(C)C)cc1 122854924 BIAYOJNFMBBFHF-CXAGYDPISA-N 272.392 3.927 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1cccnc1 123296790 FSRATQYGHZNISJ-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C=C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 123476048 VVIQQJAKCHNNFN-ZETCQYMHSA-N 260.215 3.600 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccc2)s1 124976716 KCFXVNSECALBLI-OAHLLOKOSA-N 282.412 3.827 30 20 CHED C=C(Br)CN[C@@H](C)c1cccc(OCC)c1 125083423 HSXBHSNDIDUSPT-NSHDSACASA-N 284.197 3.645 30 20 CHED C[C@@H](c1ccccc1Br)N1CCC(C#N)CC1 141931400 ZRKUUMIVDGDTEC-NSHDSACASA-N 293.208 3.746 30 20 CHED CC1(c2ccccc2)CCN(C(=O)C2(C#N)CCCC2)CC1 151657326 INTCABFZQMZFHO-UHFFFAOYSA-N 296.414 3.651 30 20 CHED CCc1cc(OC[C@H](C#N)CCC#N)ccc1Cl 153012004 AQAZNIASYKHVEM-NSHDSACASA-N 262.740 3.725 30 20 CHED Cc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nc1 154180082 VFNXCKCVPMQNLP-RBUKOAKNSA-N 291.398 3.662 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H]2c2c(F)cccc2Cl)nc1 156679828 SLKUAHQARJIDOQ-MFKMUULPSA-N 287.725 3.714 30 20 CHED C=CCSCC1CCN(C(=O)OC(C)(C)C)CC1 159176837 PQQSGXGUNVQEGB-UHFFFAOYSA-N 271.426 3.553 30 20 CHED C#Cc1cccc(NCc2cc(OC)c(OC)cc2C)c1 163395337 VIQDARBJRGGRPN-UHFFFAOYSA-N 281.355 3.606 30 20 CHED N#Cc1cc(N[C@H]2CCc3cc(F)ccc32)ccc1[N+](=O)[O-] 165960172 DCFSYHOLYOTEEE-HNNXBMFYSA-N 297.289 3.705 30 20 CHED CCOC(=O)c1cccc(NCC(C)(C)CCC#N)c1 166189359 HFGJUHXOFSXHTP-UHFFFAOYSA-N 274.364 3.605 30 20 CHED C=C(C)CCNCc1cccc(Br)c1 168967453 HBQUIAVDVSRVFD-UHFFFAOYSA-N 254.171 3.505 30 20 CHED C#CCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1 172948947 LVYREKWPVCIMFI-UHFFFAOYSA-N 287.359 3.697 30 20 CHED Cc1cc(C)cc(OCCNCC(C)(C)CCC#N)c1 174301675 BUDPTCRYIXVSOH-UHFFFAOYSA-N 274.408 3.602 30 20 CHED Cc1ccccc1C1(CNCC(C)(C)CCC#N)CC1 174336800 UVDOZWNMDNEYKL-UHFFFAOYSA-N 270.420 3.946 30 20 CHED C#CCCOc1ccc(CN[C@H](CC)c2ccncc2)cc1 174436419 LSEPALJTEXXLEI-LJQANCHMSA-N 294.398 3.725 30 20 CHED C=CCCCC(=O)NCC(C)(C)c1cccc(C)c1 175467485 TUVXHWOOXKMCED-UHFFFAOYSA-N 259.393 3.745 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cscc1C 176171201 FEEUTIBNEFBHCV-UHFFFAOYSA-N 286.356 3.579 30 20 CHED N#Cc1ccc(CNCc2ccccc2OCC2CC2)s1 176973878 LPXDGWYRGLXGGK-UHFFFAOYSA-N 298.411 3.698 30 20 CHED C=C(C)CSCC(=O)c1cc(C)n(C2CC2)c1C 177871355 VFUNEFBWOWPQCV-UHFFFAOYSA-N 263.406 3.932 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H](C)Cn1ccnc1C 178708029 KOPSTGFZYZUJFW-GDBMZVCRSA-N 263.429 3.552 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc3nccn23)cc1 178940829 FMQNDHUPJGYPKG-MDZDMXLPSA-N 262.312 3.539 30 20 CHED COc1ccc(F)cc1CN[C@H](C)c1cccc(C#N)c1 181987843 JUMQLEOKQZPLGS-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(F)cc1Cl 182626930 FTTSXDHRMWMKPS-SNVBAGLBSA-N 269.747 3.954 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCc1ccc(OC)cc1 182642529 JSULTMXERAWWOG-HNNXBMFYSA-N 289.419 3.879 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1nc(C)c(SCC#N)s1 183165938 XUOFOMHGEYGBGV-BDAKNGLRSA-N 297.449 3.688 30 20 CHED CC[C@H](CC#N)NC(=O)c1sc(-c2ccccc2)nc1C 183956270 FQQTYTRHIIMAHH-CYBMUJFWSA-N 299.399 3.541 30 20 CHED C#CCCCCCOC(=O)Cc1c[nH]c2ccc(F)cc12 185335417 WPCWXTISFXRSKO-UHFFFAOYSA-N 287.334 3.586 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2ccccc2Cl)C1 185803776 IPNIMXVWPCYTSG-TZMCWYRMSA-N 262.784 3.554 30 20 CHED N#C[C@@H]1CCC[C@H](NCC2(c3ccc(F)cc3F)CC2)C1 185872622 ZDQSAZOQUODXCA-OCCSQVGLSA-N 290.357 3.668 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OC)cc1OCCCC 185997521 ZUDSINJQULPPRY-UHFFFAOYSA-N 291.391 3.522 30 20 CHED C=CCCCC(=O)N(CC)[C@@H](C)Cc1ccsc1 186337173 FPJBBAGTVPNAHB-ZDUSSCGKSA-N 265.422 3.884 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cc(COC(C)(C)C)on1 186818576 IQTONWIOCKCIJT-OLZOCXBDSA-N 280.412 3.680 30 20 CHED C=C(C)[C@@H](NC[C@@H]1CCCCO1)c1ccc(F)c(F)c1 187785564 KSPALVKMGDEAPD-XJKSGUPXSA-N 281.346 3.741 30 20 CHED CC[C@H](C)CC(=O)Nc1cccc(OCCCC#N)c1 189014291 HYESWFJQDBCOTD-ZDUSSCGKSA-N 274.364 3.744 30 20 CHED C[C@H](SCC(=O)C(C)(C)C)c1cccc(C#N)c1 189853895 MRZYKMWNHSTHQE-NSHDSACASA-N 261.390 3.968 30 20 CHED CCCn1c(-c2cc(C#N)n(C)c2)nc2cc(C)ccc21 190326899 LGKXNBJBXZPHLY-UHFFFAOYSA-N 278.359 3.632 30 20 CHED O=C(/C=C/c1ccc(OCC2CC2)cc1)c1cncc(F)c1 191305105 SMHMVKQFKWVBRI-VMPITWQZSA-N 297.329 3.906 30 20 CHED CCCn1c(C(=O)O[C@H](C#N)C2CC2)cc2ccccc21 191579317 JECPUIBEPXMCCR-MRXNPFEDSA-N 282.343 3.510 30 20 CHED C=C(C)CN(CC)C(=O)/C=C/Sc1ccccc1 218585046 CJELGRSBFCYFFZ-ZHACJKMWSA-N 261.390 3.717 30 20 CHED COc1ccc([C@H](C)NCc2cccc(C#N)c2F)cc1 221955248 FVYPLLBNRWOMNK-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@@H]2CCC[C@@H](C)C2)cc1 237582039 JNNAQJUDXQWZPM-HLLBOEOZSA-N 286.419 3.893 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)C2CC2)C1 248912917 VPMVWFACYSOUFB-COXVUDFISA-N 254.377 3.810 30 20 CHED CCC(CC)[C@@H]1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)CCO1 249049773 XEEIUIMHMQREEA-DZUCGIPZSA-N 278.440 3.642 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 250602740 SXJGIYIDZZNOQN-YESZJQIVSA-N 290.451 3.991 30 20 CHED CC[C@@H](C)Oc1ccccc1/C=C\C(=O)OCCCC#N 255773227 NCJHEODMLZIIAB-IWMPZKFUSA-N 287.359 3.724 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H]2c2ccccc2)o1 266203592 MBUSWQZGLVUUBM-DLBZAZTESA-N 266.344 3.577 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1csc(C)n1 269443404 TWCSRCJEDRUXNK-LBPRGKRZSA-N 288.416 3.867 30 20 CHED Cc1cc(C)cc([C@@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 271759223 AKWOPQRSWYDFHD-BEFAXECRSA-N 294.398 3.559 30 20 CHED C=CCC[C@H](C)Nc1cccc(-c2nnc(C)n2C)c1 273475399 SRHXGPAZYAVSAW-LBPRGKRZSA-N 270.380 3.557 30 20 CHED C=CCCO[C@H](C)c1nc([C@@H](C)c2cccs2)no1 273796786 GCOLLBUMVPECJC-WDEREUQCSA-N 278.377 3.937 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc3cc[nH]c3c2)no1 273862119 DTCSWRDNILTBMH-LLVKDONJSA-N 283.331 3.872 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(F)cc1OCC1CC1 276142601 ONUGGKKLERFBBT-UHFFFAOYSA-N 292.354 3.654 30 20 CHED CC[C@@H](Cc1ccccc1)N(CC)C(=O)CC(C)(C)C#N 279024994 PBYSVTOQOVGHAG-INIZCTEOSA-N 286.419 3.796 30 20 CHED C=CCOc1cccc(CNc2ccn(C(C)C)n2)c1 280243360 IKRXIOVYRXDHGP-UHFFFAOYSA-N 271.364 3.641 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(C2CCC2)cc1 280929970 FJKUIYROYSIMQY-UHFFFAOYSA-N 280.327 3.980 30 20 CHED CC[C@@H](CC#N)N[C@H](C)Cc1ccccc1C(F)(F)F 280973058 VNBHYWWWYFEHAX-YPMHNXCESA-N 284.325 3.918 30 20 CHED C#CCCCC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1OC 286893336 JFSTXZVXUMFRAT-NVXWUHKLSA-N 299.414 3.798 30 20 CHED CC(C)(C#N)CCSCC(=O)Nc1ccc(Cl)cc1 289468056 VWZNCDOTICITDY-UHFFFAOYSA-N 296.823 3.952 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2cnn(CC)c2c1 292758985 OIIKLMFLXYYRNG-UHFFFAOYSA-N 271.364 3.597 30 20 CHED Cc1cccc(CSCCCSCC#N)c1 295227063 SECVLYUNEJONQW-UHFFFAOYSA-N 251.420 3.875 30 20 CHED N#Cc1ccc(NCCCCCN2CCCCC2)c(F)c1 301247843 LRUGBDXGPDFCTM-UHFFFAOYSA-N 289.398 3.765 30 20 CHED COCc1cc(Oc2ccccc2C#N)nc(C(C)(C)C)n1 301805830 VVWZDNXWFACMJK-UHFFFAOYSA-N 297.358 3.584 30 20 CHED CO[C@]1(C)C[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1(C)C 301957565 APUUPEAOYWUJNA-CRAIPNDOSA-N 295.386 3.722 30 20 CHED CCO[C@@H](CCNc1ccc2cc(C#N)ccc2n1)C(C)C 301976454 MJEBFKNPGVXZCI-KRWDZBQOSA-N 297.402 3.970 30 20 CHED C=CCCCNc1cc(C(=O)OC)ccc1OC(C)C 303770505 BOWNOWPWIIGHEF-UHFFFAOYSA-N 277.364 3.639 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1F 307968717 VIUFFRQVMWBEGD-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCCCCNC(=O)c1ccc(Br)cc1 309256916 CLZQODDAZRJRDW-UHFFFAOYSA-N 282.181 3.535 30 20 CHED N#Cc1cc2ccccc2nc1N[C@@H]1CCC(F)(F)C1 313606471 WNDQVDDJHCWJHG-GFCCVEGCSA-N 273.286 3.706 30 20 CHED CC1(C)CCCC[C@@H]1/N=C(/O)c1cnc2cnccc2c1 328682639 VWJXOELOKYFINO-HNNXBMFYSA-N 283.375 3.903 30 20 CHED N#Cc1ccc(NC2CC2)c(N=C(O)C[C@@H]2CCCCO2)c1 329114000 SCTQMPWSVFDHST-AWEZNQCLSA-N 299.374 3.680 30 20 CHED Cc1cc(C2CC2)nc(N=C(O)[C@@H]2CC[C@H](C)C2)n1 329782972 UUNPJFSVGMDALO-JOYOIKCWSA-N 259.353 3.687 30 20 CHED CCc1ccsc1/C(O)=N/C1CCC(C(=N)O)CC1 330600919 DDYOILSITULNQX-UHFFFAOYSA-N 280.393 3.709 30 20 CHED CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]2C#N)c2ccccc21 331707061 DFMIKGYFJUOJTH-BPUTZDHNSA-N 297.402 3.648 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1(C)C 332670834 FDIGNGIJJBWHFV-LBPRGKRZSA-N 287.407 3.563 30 20 CHED Cn1ccc(C(=O)Nc2ccc(F)cc2C#N)c1C1CCC1 334557508 BVCGJHWJLPIVSO-UHFFFAOYSA-N 297.333 3.556 30 20 CHED Cc1cscc1CN[C@@H]1CCc2ccc(C#N)cc21 335330014 ASRJHQZPZIETIM-MRXNPFEDSA-N 268.385 3.705 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1cccc(Cl)c1 335834088 ZDSXJXHAZIYVFN-UHFFFAOYSA-N 290.775 3.940 30 20 CHED CC[C@@]1(C)CCN(C(=O)Nc2cc(C#N)ccc2C)C1 336044962 OUZLEIYYBOKRCP-INIZCTEOSA-N 271.364 3.521 30 20 CHED CC(=O)c1cccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 336080319 KHFNKHDYSWAMJL-UHFFFAOYSA-N 298.729 3.667 30 20 CHED N#Cc1cccc(C#N)c1NCC1CCC(F)(F)CC1 336988805 JFNQMZMMICSSGS-UHFFFAOYSA-N 275.302 3.667 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(-c2ccccc2)nc1O 337106235 ZTJIXHGTJMXZMA-AWEZNQCLSA-N 296.370 3.539 30 20 CHED C=CCOc1ccc(C(=O)NCC2(C3CC3)CCC2)cc1 337367414 OYQUMFAKEVRMQP-UHFFFAOYSA-N 285.387 3.562 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1CC(C)(C)C 338118460 LHFWNELSSBJUBX-HNNXBMFYSA-N 284.403 3.908 30 20 CHED CN(Cc1csc2ccccc12)c1cnccc1C#N 339012821 FJSSCGGLHIINCO-UHFFFAOYSA-N 279.368 3.804 30 20 CHED CCOc1ccc(/C=C/c2ccc(C#N)cn2)cc1OC 339187972 NOAGTDRSSRDRAC-QPJJXVBHSA-N 280.327 3.531 30 20 CHED CN1CC[C@H](NCC(C)(C)CCC#N)C[C@@H]1c1ccccc1 340393480 PQJSIQQXIRVXNO-ZWKOTPCHSA-N 299.462 3.741 30 20 CHED Cc1nc(C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)ccc1C#N 340630236 GFAUJKUKGXHYAY-GDBMZVCRSA-N 299.418 3.596 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCC[C@H](OC)C2)n1 340771939 IYGPEOARMCWSQF-RYUDHWBXSA-N 264.369 3.596 30 20 CHED Cc1nsc(Nc2ccc3ccn(C)c3c2)c1C#N 340921545 LZTJMIZKJKZGFF-UHFFFAOYSA-N 268.345 3.559 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC)c1ccc(Cl)cc1 341893936 ZGSBCHLPYJEWGW-WFASDCNBSA-N 267.800 3.565 30 20 CHED CCc1ccnc(C(=O)Nc2sc(C)c(CC)c2C#N)c1 341923463 YDUUTDAORLKMOF-UHFFFAOYSA-N 299.399 3.700 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)C1CCSCC1 342808521 CTFKWEZZHSNRIX-CYBMUJFWSA-N 286.444 3.669 30 20 CHED Cc1ccccc1C1(CNc2nccc(C)c2C#N)CC1 343515550 QGBOCSIKLVIRSS-UHFFFAOYSA-N 277.371 3.714 30 20 CHED C[C@@H]1COc2ccccc2CN1Cc1ccc(CC#N)cc1 343752426 KHTGXOQBPTZVLB-OAHLLOKOSA-N 292.382 3.536 30 20 CHED CCOc1ccccc1OCc1cn2ccccc2c1C#N 344678959 XZABFTVBWAGLRE-UHFFFAOYSA-N 292.338 3.789 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc2c1OCC[C@@H]2OC 344924299 IJOIBZLPETWGDL-WMLDXEAASA-N 289.375 3.697 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cc2c(s1)CCCC2 345883838 KMECAUAHUJYJNW-UHFFFAOYSA-N 290.432 3.687 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(C)n1 347363050 JKIDXRRLYLMENH-UHFFFAOYSA-N 252.361 3.578 30 20 CHED CC(C)(CCC#N)CN1CCC[C@H](Oc2ccccc2)C1 352338658 UOJWZSAWQTUFRU-KRWDZBQOSA-N 286.419 3.860 30 20 CHED C=CCC(C)(C)CNC(=O)c1cn(C)c2ccccc12 352517207 BWASSBVRDMVEAT-UHFFFAOYSA-N 270.376 3.510 30 20 CHED N#Cc1ccc(SCC(=O)c2ccc(Cl)cc2)nc1 352939412 VYXUUBKCQBTLHG-UHFFFAOYSA-N 288.759 3.582 30 20 CHED COc1ccc(C)cc1CN(CCC#N)CC(C)(C)C 353418878 HRJXTNYZDIESRT-UHFFFAOYSA-N 274.408 3.765 30 20 CHED C[C@H](CCc1ccc(F)cc1F)NCC1(CC#N)CC1 353584666 JKBLMSIDRDFEEI-GFCCVEGCSA-N 278.346 3.569 30 20 CHED C[C@H](CC#N)Sc1ccccc1NCC1CCOCC1 354535472 JHZVGGGIFLXJRI-CYBMUJFWSA-N 290.432 3.919 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(CCC#N)CC(F)(F)F 356256920 CEEUBSGRRFOVJD-RYUDHWBXSA-N 290.329 3.507 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(CNc2ccc(C#N)cc2)n1 356580934 QAKGELDWUFRYNQ-IUODEOHRSA-N 296.374 3.847 30 20 CHED N#Cc1ncccc1NCCc1csc2ccccc12 357187302 JHAUAZMJIWXPJS-UHFFFAOYSA-N 279.368 3.823 30 20 CHED N#CCCOc1c(Cl)cc(Cl)c2cccnc12 357444309 YKGCGFOUUUBMRN-UHFFFAOYSA-N 267.115 3.834 30 20 CHED C=CCN(Cc1csc(CCCC)n1)C1CC1 357550886 HSDKQIQZOHRSAD-UHFFFAOYSA-N 250.411 3.636 30 20 CHED C=C(CC)CSc1nnc(-c2cccnc2)n1C1CC1 358568344 ZABLUZNHZMUUBC-UHFFFAOYSA-N 286.404 3.733 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 359907393 WFCRMHVBWBVCMR-XJKSGUPXSA-N 281.334 3.841 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 362597984 BDBGUAGMZNCLLJ-ZJUUUORDSA-N 269.797 3.511 30 20 CHED C=CCCCCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] 386713222 QHZMOBQNWYEJAD-UHFFFAOYSA-N 294.326 3.600 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 410636503 AITZOAFHGWPVEB-XFJVYGCCSA-N 290.794 3.847 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@H](C)C1CCCCC1 410824236 CEZQDKUCLRBJRA-DZGCQCFKSA-N 264.413 3.744 30 20 CHED C[C@H](C#N)N(C)C(=O)CCCc1ccc(Cl)c(Cl)c1 410891306 SQXMMSOOFTYULS-SNVBAGLBSA-N 299.201 3.687 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](CC)c1ccccc1 413585434 FJYRHERQPSDPFB-CQSZACIVSA-N 260.381 3.649 30 20 CHED C=C[C@H](CCC(=O)O)NCC1CCC(CCC)CC1 417625045 LMDSPAWRLFEHEC-YMAMQOFZSA-N 267.413 3.602 30 20 CHED C=CCNC(=O)CSCc1cc(Cl)sc1Cl 419583429 OKAOLQOZEMAHRS-UHFFFAOYSA-N 296.244 3.590 30 20 CHED N#CCCN(Cc1cccc(C2CC2)c1)CC1CC1 421320239 PDMUWKXOVBFMSU-UHFFFAOYSA-N 254.377 3.690 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC[C@H]2C2CC2)s1 421351666 OGTSERYDBJXSCO-GJZGRUSLSA-N 260.406 3.678 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@H](N)c2ccccc21 423174712 CNQNDYIFAAJZHM-UXPWSPDFSA-N 292.426 3.908 30 20 CHED C=CCC(CC=C)c1nc([C@H](C)c2nccs2)no1 424357859 YIXPXMODPOSNFO-JTQLQIEISA-N 275.377 3.914 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)Cc1ccc(C)s1 424680880 NFFSABXUEAUDLD-NSHDSACASA-N 265.422 3.706 30 20 CHED Cc1ccc(CN(C#N)c2ccc(F)c(C#N)c2)cc1C 428056674 AVBSKARCTVUDJX-UHFFFAOYSA-N 279.318 3.802 30 20 CHED C[C@H]1CC[C@@H](N(C)c2nc(C(F)(F)F)ccc2C#N)C1 428672587 MEOYRKGRWGFMRN-GXSJLCMTSA-N 283.297 3.597 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 432553839 BMFKIIOYHSJGIL-ZBFHGGJFSA-N 286.419 3.991 30 20 CHED C=CCC[C@H](N[C@H]1C[C@@H](OCC)C12CCC2)C1CC1 438980453 RZMHSOGMHAJHEI-HRCADAONSA-N 263.425 3.669 30 20 CHED CCN(CCC#N)C(=O)c1cc2c(ccc3ccccc32)[nH]1 439139533 XLPHBGBTEFQHFQ-UHFFFAOYSA-N 291.354 3.697 30 20 CHED N#C[C@H]1CC[C@@H](NCCCCCc2ccc(F)cc2)C1 442859391 XAAIAHHKIIQJML-DOTOQJQBSA-N 274.383 3.820 30 20 CHED Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1OC(F)F 442868146 MZWKHVIDLQXUDT-MNOVXSKESA-N 266.291 3.701 30 20 CHED N#Cc1nc(N2CCC[C@H]2C2CCC2)ccc1C(F)(F)F 443519621 PAACAUWMHXHWKX-ZDUSSCGKSA-N 295.308 3.741 30 20 CHED CC(=O)c1cc(F)ccc1OCc1ccc(C#N)c(C)c1 447307479 VOEJDHDLIXBRFC-UHFFFAOYSA-N 283.302 3.787 30 20 CHED C=CCC1(C(=O)NC[C@H](OC)c2ccccc2)CCCC1 449255280 CEDWLYHMGNGSON-INIZCTEOSA-N 287.403 3.627 30 20 CHED C=CC(C)(C)CNCc1cc(F)cc2cccnc12 449483437 AOUPGIPJZWCJRR-UHFFFAOYSA-N 258.340 3.676 30 20 CHED C=CCC1(CNCc2ccc([S@@](C)=O)cc2)CCCC1 449605577 NQLINONKEWRKFB-HXUWFJFHSA-N 291.460 3.650 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CC12CCSCC2 449912580 FYDIHOWTRMMBIL-AWEZNQCLSA-N 281.465 3.725 30 20 CHED C[C@@H]1CC[C@@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C[C@H]1C 450305619 XBVKJEMRUICZML-IIAWOOMASA-N 296.414 3.736 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)[nH]c2C)cc1OC(C)C 451238054 CGEMJKSSKSRTNO-UHFFFAOYSA-N 297.358 3.543 30 20 CHED C=CCC1(c2nc(-c3ccncc3OC)no2)CCCC1 453164020 PPSMQZMLGOVAPN-UHFFFAOYSA-N 285.347 3.528 30 20 CHED C=C(C)CCc1noc([C@@H]2Cc3c(C)cccc3O2)n1 453183800 OJURQDKCGOFRAD-AWEZNQCLSA-N 270.332 3.563 30 20 CHED C=CCC[C@@H](NCCC[C@H]1CCOC1)c1ccco1 453343328 DKBYQUWKRFCJSL-LSDHHAIUSA-N 263.381 3.693 30 20 CHED C=CCC1(CNC(=O)c2c(C)nsc2C)CCCC1 456502711 HLDAAWPEGXJBHN-UHFFFAOYSA-N 278.421 3.626 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2cccc(C)c2)CC1 457073585 HZXFXEKLZMODST-CQSZACIVSA-N 257.377 3.919 30 20 CHED CN(CC(C)(C)C#N)C(=O)NC1CC(C)(C)CC(C)(C)C1 458646773 YCEDHVYZCYGBTP-UHFFFAOYSA-N 293.455 3.782 30 20 CHED C[C@H](C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21)c1cccc(C#N)c1 462594922 SERAAGYNGDWRBB-LBTBCDHLSA-N 296.414 3.699 30 20 CHED CCN(CC(C)(C)C)C(=O)CSc1ccc(C#N)cc1 462997992 RSAWLRRHQBIRPZ-UHFFFAOYSA-N 290.432 3.545 30 20 CHED C=CCOCCCC(=O)N1CCCC2(CCCCCC2)C1 464682841 JRUNGPOACPIQIW-UHFFFAOYSA-N 293.451 3.932 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 466402171 RYFVGPJMXFAODX-PVAVHDDUSA-N 286.419 3.929 30 20 CHED C=CCCN(C)Cc1ccc(OCC(F)(F)F)c(F)c1 467371009 SUUKEEVBOMXZCS-UHFFFAOYSA-N 291.288 3.775 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)C1CCCC1 467979625 BMNVJPKLUPMJAQ-MRXNPFEDSA-N 251.414 3.921 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCC(=O)[C@H](C)C1 487676060 UKDKXNCPDCOXNN-ZBFHGGJFSA-N 291.435 3.587 30 20 CHED Cc1cc(CN(C)Cc2nc3ccccc3o2)ccc1C#N 488166007 MOIOMAFDIIIJIJ-UHFFFAOYSA-N 291.354 3.640 30 20 CHED C=CCCCS(=O)(=O)N(C)[C@H](c1ccccc1)C(C)C 489285914 DVTZYXXVMJFPBK-INIZCTEOSA-N 295.448 3.612 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CC1(C)C 491218516 YKUCUVRLYUJZLF-OAHLLOKOSA-N 278.440 3.810 30 20 CHED C#C[C@@H](N[C@@H]1C[C@H](C)O[C@H](C)C1)c1ccc(Cl)cc1F 491325604 FAXSOCJAGPGJHB-KTSGXFQWSA-N 295.785 3.699 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(OCC)cc1 491342566 JRKADLZYTSSTFS-UHFFFAOYSA-N 285.387 3.909 30 20 CHED Cc1cccc2cc(C(=O)N(C)c3ccccc3C#N)oc12 508103654 OWZMWAWXXWLEKT-UHFFFAOYSA-N 290.322 3.890 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCc2ccccc2OC1 509501201 PKOOSHXWNLDVNW-CYBMUJFWSA-N 282.318 3.503 30 20 CHED C=C(CNC(=O)N1C[C@@H]2CCCC[C@H]2C1)c1ccccc1 512682269 UNDAWLWSCSBWIM-IRXDYDNUSA-N 284.403 3.531 30 20 CHED C=CCCc1ccccc1NC(=O)CCc1cncs1 512780028 VXMNYFRFDPZABP-UHFFFAOYSA-N 286.400 3.833 30 20 CHED C=CCN(CCc1ccccc1)c1ncc(C#N)cc1Cl 513603927 RYICVFOMCQDLPA-UHFFFAOYSA-N 297.789 3.842 30 20 CHED N#CCCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 515379856 XJNKKIWXWPDNIU-ROUUACIJSA-N 268.404 3.806 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(CC(F)(F)F)cs1 516507444 YRCMFWOPRXQYGY-LLVKDONJSA-N 292.326 3.789 30 20 CHED CC[C@H](CC#N)NCCc1c(Cl)cccc1Cl 520248499 FDMCMRYKQRNMHW-SNVBAGLBSA-N 271.191 3.818 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 521665998 NYONDFMMLKQIAN-WBAXXEDZSA-N 294.398 3.509 30 20 CHED Cc1c(C(=O)N(CCC#N)C(C)C)oc2ccc(F)cc12 522585637 SOWTYJUWCZJUTM-UHFFFAOYSA-N 288.322 3.645 30 20 CHED CCC[C@H](C#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 522959398 LZHWHNAYAYVMSC-MRXNPFEDSA-N 286.419 3.725 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCCC(C)(C)C#N 527049641 MEUIZNRYDLIFHN-CHWSQXEVSA-N 254.443 3.580 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCc3cc(F)c(Cl)cc32)C1 527908962 GUSNCQHJEWTOJW-ISOBSLSZSA-N 278.758 3.748 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(C)c(O)c1)c1ccccc1 535443061 ZLPQCVRYOACVHP-CQSZACIVSA-N 281.355 3.999 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCO[C@@H](CC(C)C)C1 538581965 WTJUJKGVHBJEOD-VGWMRTNUSA-N 253.430 3.770 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(CC)c(C)c1 539852647 DOXCABUJYMOQOK-HNNXBMFYSA-N 286.419 3.558 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1ccc(Cl)cc1F)C(C)C 543777982 ZDGJKXYPBNTTSK-BLLLJJGKSA-N 299.817 3.950 30 20 CHED Cc1ccccc1Cc1noc(-c2cc(C#N)cs2)n1 546940145 ZVQIBSFEOWBAAB-UHFFFAOYSA-N 281.340 3.569 30 20 CHED C=CCCCN[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC 556880635 PDWYAWAMQICKLE-RCCFBDPRSA-N 273.420 3.894 30 20 CHED Clc1cccc(C#CCN2CCC[C@@H]2c2cccnc2)c1 558102723 GAJWWYSYNVQTLG-GOSISDBHSA-N 296.801 3.924 30 20 CHED N#Cc1ccccc1CSCCN[C@H]1CCC[C@H]2C[C@H]21 558699468 OTCVWQRDVAAPSK-XKQJLSEDSA-N 286.444 3.570 30 20 CHED CCCC[C@H](CCC)CNC(=O)[C@](C)(C#N)CC 560576238 KCDCTFFWJXIWGO-ZFWWWQNUSA-N 252.402 3.649 30 20 CHED COc1ccc(Cl)c(CN2CCC(CCC#N)CC2)c1 567790089 NUXFZVMPKHXJRA-UHFFFAOYSA-N 292.810 3.864 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(CCC)CC1CC1 568935234 MUACDSPZAGWVQV-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](c2ccncc2)C1 572464378 UTHXRYKMUMUTKQ-KSSFIOAISA-N 277.371 3.504 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCSc1cccc(Cl)c1 573478611 PADUELVZNFLDMR-AWEZNQCLSA-N 296.823 3.631 30 20 CHED C[C@@H](SCc1nc(C2CC2)nn1C)c1cccc(C#N)c1 573491382 XKOCFWLCUOHCAX-LLVKDONJSA-N 298.415 3.559 30 20 CHED CCC(CC)[C@@H](C)C(=O)N1CCc2ccc(C#N)cc21 573621459 VZOMDIQDMVVQRP-GFCCVEGCSA-N 270.376 3.520 30 20 CHED N#CCC[C@@H](C#N)CN[C@@H](c1ccccc1)C1CCCC1 574475542 UGGVIWTVYPBSDH-YJBOKZPZSA-N 281.403 3.951 30 20 CHED C=CCOCCN[C@@H](COc1ccccc1)c1ccccc1 575334499 RPIYMUUUDOHYGR-IBGZPJMESA-N 297.398 3.599 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCC1(c3ccccc3)CC1)CC2 579651411 DXFASFCMATWWAK-LJQANCHMSA-N 288.394 3.867 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 588424756 SDWYCQDTVUJYCR-RQOWECAXSA-N 288.690 3.539 30 20 CHED Cc1cc(F)ccc1CON=Cc1ccccc1F 588426115 MVUANAMRZXGQBJ-UHFFFAOYSA-N 261.271 3.824 30 20 CHED C[C@H](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)CC(C)(C)C 588767589 QNNMPBXKSXXLQJ-SNVBAGLBSA-N 288.395 3.560 30 20 CHED C[C@H](NC(=O)N1CCC[C@H](CC#N)C1)[C@H](C)c1ccccc1 595536694 SQBMZRKJLTVOTB-HRCADAONSA-N 299.418 3.514 30 20 CHED CCN(CCC#N)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 595869154 VNBMOXZAEQSEGF-LBPRGKRZSA-N 284.325 3.872 30 20 CHED N#CC1(CCOc2ccc3oc(O)nc3c2)CCCCC1 596298146 UUTDVEBZFLTJIH-UHFFFAOYSA-N 286.331 3.776 30 20 CHED CCn1nc(C)cc1-c1cc(CC#N)ccc1OC(C)C 596644424 GLRFEVIEJIXDII-UHFFFAOYSA-N 283.375 3.732 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)C1[C@@H]2CCCCCC[C@@H]12 596745301 QKKAEARSFAMRMT-IAGOWNOFSA-N 296.414 3.733 30 20 CHED Cc1cccc2c1CC[C@H]2NC(=O)CC1(C#N)CCCCC1 597161205 JJTABGPBSRIRRY-QGZVFWFLSA-N 296.414 3.963 30 20 CHED C=C[C@@](C)(O)C(=O)Nc1cccc(CSC(C)C)c1C 597298557 ZZRZFJVTYRHYOZ-MRXNPFEDSA-N 293.432 3.512 30 20 CHED C=CCCSCCNC(=O)c1ccc(F)c(Cl)c1 597968552 HUULIJIMZGMXMF-UHFFFAOYSA-N 287.787 3.518 30 20 CHED CCOc1cncc(CN[C@@H](CCC#N)c2ccccc2)c1 598641838 OTPCBXGTDWFNGW-SFHVURJKSA-N 295.386 3.615 30 20 CHED CCC[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)OCC 599058785 GAATXVMQKUSMOW-FUHWJXTLSA-N 286.419 3.730 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2CC#N)C1 601037881 FNJVGWNLOAGXOX-CVEARBPZSA-N 284.403 3.697 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2ccccc2CC#N)c1C 601183179 AVLXWJQDYIYPPE-OAHLLOKOSA-N 292.382 3.861 30 20 CHED CC(C)(C)C1=CCN(C(=O)c2ccccc2CC#N)CC1 601380751 PIJPLSNASCBURP-UHFFFAOYSA-N 282.387 3.571 30 20 CHED C[C@H](CCC#N)CN1CCC(c2ccc(O)cc2)CC1 602436478 NXHJHYHNJCCPJE-CQSZACIVSA-N 272.392 3.511 30 20 CHED C[C@@H](CCC#N)CNCCc1cccc2ccccc12 602511949 SGSUTLIZSAEWPU-HNNXBMFYSA-N 266.388 3.912 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 609921533 IFKGFKLWCKXGCU-JSGCOSHPSA-N 264.413 3.647 30 20 CHED Cc1cccc2c(=NCc3ccc(F)cc3)c(C#N)c[nH]c12 610211138 WWGCLSNJZDYTQN-UHFFFAOYSA-N 291.329 3.588 30 20 CHED C[C@@H](NC(=O)C(C)(C)C1CCCC1)c1cccc(C#N)c1 611134916 JAPAGNPUMCNBED-CYBMUJFWSA-N 284.403 3.952 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1Cc1cccc(C#N)c1F 611371866 XNESSQJFUTYMMM-GFCCVEGCSA-N 298.336 3.956 30 20 CHED N#CCc1ccc(CN2CCCc3sccc3C2)cc1 612074480 YUJOWLQIBNTDFP-UHFFFAOYSA-N 282.412 3.763 30 20 CHED C=CCC(C)(C)CNC(=O)c1oc(SC)cc1C 615285591 FBRRGKHAWRQPJI-UHFFFAOYSA-N 267.394 3.642 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 617033332 AAZOERLYELSWBO-UHFFFAOYSA-N 299.296 3.781 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 617779747 IHEHCHGJWCTCQW-RRQGHBQHSA-N 287.378 3.744 30 20 CHED C[C@@H](CCC#N)CN1C[C@@H](C)Oc2ccc(Cl)cc21 618888234 UUEYGJBRZHEMER-NWDGAFQWSA-N 278.783 3.867 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCO[C@H](CC)C2)CCCC1 619111380 VUDGBVCQXFFLNA-HUUCEWRRSA-N 279.424 3.587 30 20 CHED C[C@H](C[C@H]1CCOC1)N[C@H]1CCCCc2cc(C#N)ccc21 619508465 YTPLTJKAWKUFIP-OGWOLHLISA-N 298.430 3.730 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 619763384 HRTUKBFKCPRJSM-CJNGLKHVSA-N 290.794 3.510 30 20 CHED C=CC[C@@H](C)NCc1ccc2ccc(F)c(F)c2n1 638608128 AWWOIWJXGJIEQD-SNVBAGLBSA-N 262.303 3.567 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(O)c(C)cc1C 680826220 YSUYEHRNANFELV-UHFFFAOYSA-N 297.354 3.826 30 20 CHED CCc1cc(Nc2ccc(C#N)c(C)n2)ccc1F 690110323 OHLSWBQAUCWLQI-UHFFFAOYSA-N 255.296 3.707 30 20 CHED C#CCN(C(=O)c1ccc(F)cc1Cl)C1CCCCC1 708491364 HERYDXSJTVRDMZ-UHFFFAOYSA-N 293.769 3.887 30 20 CHED C=CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C 728868456 KNRHQHMCMZYRTK-UHFFFAOYSA-N 297.402 3.526 30 20 CHED C=CCCOC(=O)c1sc(C)nc1-c1ccccc1 729072693 ULXWGPZFUHHINT-UHFFFAOYSA-N 273.357 3.851 30 20 CHED C[C@@H]1CCCC1=NNc1ncccc1C(F)(F)F 729141992 JRGHGAPHMUPMRN-MRVPVSSYSA-N 257.259 3.688 30 20 CHED CC/C=C(\C)C(=O)N(CCC#N)CC(CC)CC 729433357 PXGYRINATZDFGB-UKTHLTGXSA-N 250.386 3.521 30 20 CHED CC(CSC(C)(C)C)=NNc1cccc(C#N)c1 729635419 STFVWOCXXPYXRG-UHFFFAOYSA-N 261.394 3.878 30 20 CHED CCCc1ccc(CNCc2ccc(OCC#N)cc2)cc1 729685281 CUHRZGJJBOHJNJ-UHFFFAOYSA-N 294.398 3.831 30 20 CHED C=C(Cl)COC(=O)Cc1ccc(OCC(C)C)cc1 730367885 BIKIXKUQTSRHIT-UHFFFAOYSA-N 282.767 3.560 30 20 CHED C#CCOc1ccccc1CNC(=O)[C@H](C)CC1CCCC1 734106448 DTXKSFZDCILLCS-OAHLLOKOSA-N 299.414 3.531 30 20 CHED CCCCCCCC(=O)NCCNc1ccccc1 735930715 MFKAUTQWZVFZGC-UHFFFAOYSA-N 262.397 3.575 30 20 CHED CCCCCCOc1cccc(C=NNc2cccnn2)c1 735973397 ICGSOCUPDHFIMD-UHFFFAOYSA-N 298.390 3.882 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 741837462 KRTSMYBKUVXHGY-SNVBAGLBSA-N 286.297 3.920 30 20 CHED CC(=NN=C(C)c1cnccn1)c1ccc(C(C)C)cc1 745208599 JIVCRRXCVLWXIR-UHFFFAOYSA-N 280.375 3.833 30 20 CHED CC(=NNC(=S)Nc1cccc(Cl)c1)C1CCC1 747628768 SGOFXQURRGPFDN-UHFFFAOYSA-N 281.812 3.802 30 20 CHED Fc1ccc(/C=C/C=NNCc2ccc(F)c(F)c2)cc1 747753245 LSRWSHXZFGJPRK-XJGNLEOYSA-N 290.288 3.893 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(C#N)s1 749006640 ZLUJQXZEAIEEDV-PLNGDYQASA-N 259.355 3.886 30 20 CHED CSCC(=NNCc1ccccc1)c1ccccc1 749444799 WFHXJCKOEVHDLN-UHFFFAOYSA-N 270.401 3.544 30 20 CHED Oc1c(F)cc(C=NNc2cccc(Cl)c2)cc1F 749853684 STUXUYLNTCRYHT-UHFFFAOYSA-N 282.677 3.770 30 20 CHED COc1ccc(NN=Cc2c(C)[nH]c3ccccc23)cc1 750925710 SGKWEWOFTXSZAK-UHFFFAOYSA-N 279.343 3.931 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccccc1C1CC1 751032345 PLPFFDYFJVODIM-ZHACJKMWSA-N 280.371 3.810 30 20 CHED C[C@H]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)[C@@H]1C 751905798 CGJSLPFUVLRGRA-VHSXEESVSA-N 293.823 3.639 30 20 CHED Clc1ccc(C#CCNc2ccc3c(c2)OCCO3)cc1 754305902 YINYBWHSJBCSIL-UHFFFAOYSA-N 299.757 3.575 30 20 CHED C#C[C@H](CC)NC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 754374805 RAVLPAFUVAHZGJ-GNBUJSLZSA-N 295.426 3.564 30 20 CHED Cc1nc(C=NOc2ccccc2C(F)(F)F)cs1 754709248 KJAVYCUJLLTMDO-UHFFFAOYSA-N 286.278 3.883 30 20 CHED CC1CCC(COC(=O)c2c(F)cc(C#N)cc2F)CC1 754840970 JXWLRROMWHJZDT-UHFFFAOYSA-N 293.313 3.820 30 20 CHED C=C(C)[C@@H](CC(=O)N1Cc2ccccc2[C@@H](C)C1)OCC 755423015 DBGGAIBBXXHBCL-WMLDXEAASA-N 287.403 3.504 30 20 CHED C(=NO[C@H]1CCCCO1)c1cccc2ccccc12 755820558 WROMXKSQUIYOAX-INIZCTEOSA-N 255.317 3.717 30 20 CHED C#CC[C@H](Nc1cc(C(C)C)ncn1)c1ccccc1 756953916 UPBRPRXATVGNRC-HNNXBMFYSA-N 265.360 3.777 30 20 CHED COCc1cccc(/C=C2\CCCC(C)(C)C2=O)c1 757533708 IELMOHFCIARIFR-RVDMUPIBSA-N 258.361 3.996 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCCCC2(C)C)c1 757540775 IKXPWMJSCFPJFF-HNNXBMFYSA-N 286.444 3.923 30 20 CHED CCOC(=O)[C@H]1CCC(=NOCc2ccccc2)C[C@H]1C 758098240 QAFDMNJRZUKMGQ-CJNGLKHVSA-N 289.375 3.559 30 20 CHED CC1CC(C#N)(C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)C1 758181981 AYKZSVHAWHARRH-DGSCNEQVSA-N 290.451 3.895 30 20 CHED Cc1ccc(C(=O)OCc2ccc(F)c(C#N)c2)cc1C 758910489 BGCPLCSVCUVNRT-UHFFFAOYSA-N 283.302 3.671 30 20 CHED Cc1ccc(OC(=O)c2ccc(CC#N)cc2)cc1C 759744569 OWQVEVKMXJKHNR-UHFFFAOYSA-N 265.312 3.589 30 20 CHED O=C(/C=C\c1cccc(-n2cccn2)c1)c1cccc(F)c1 760263034 FAGCZESLWHCEAV-HJWRWDBZSA-N 292.313 3.908 30 20 CHED CCC(CC)OC(=O)CCCCOc1cccc(C#N)c1 762101225 FZPRQYIINWFCQG-UHFFFAOYSA-N 289.375 3.839 30 20 CHED CC[C@H](C#N)Oc1cccc(CNC[C@@H]2C[C@H]3CC[C@H]2C3)c1 762555031 MMXRBVJMPKKSJG-LEUOFYLZSA-N 298.430 3.893 30 20 CHED CS[C@@H](C)CCC(=O)OCC#Cc1cccc(Cl)c1 762924940 BSBKBEKTKACSBV-LBPRGKRZSA-N 296.819 3.766 30 20 CHED Cc1cc(F)ccc1C=NNCc1ccc(Cl)cc1 764718112 JWYUFBONPDDYGN-UHFFFAOYSA-N 276.742 3.911 30 20 CHED C=C(Cl)CN(C)Cc1ccc(N(CC)CC)cc1 764815232 DNXAUUTVJQBAHN-UHFFFAOYSA-N 266.816 3.717 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1CCCc2sccc21 767340122 ZPFRGCCBFPPZKG-NWRYFCBHSA-N 287.384 3.959 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(F)cc2Cl)cc1 767735796 UNDQTDLDXFXNBU-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=CC[C@H](NC(=O)C[C@H]1CCC[C@@H]1C)c1ccncc1 769376899 PJEDLCURABEHJB-IMJJTQAJSA-N 272.392 3.641 30 20 CHED C=CCCCCNC(=S)Nc1ccc(OC)c(Cl)c1 769759492 DSBHPIZQKUXYIF-UHFFFAOYSA-N 298.839 3.991 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1occc1C 769784396 UGVXCYJESJVIEG-WAYWQWQTSA-N 256.301 3.801 30 20 CHED Cc1cc(/C=C\C(=O)c2occc2C)cnc1Cl 769784417 USRGMVVZSDOCJQ-ARJAWSKDSA-N 261.708 3.841 30 20 CHED FC(F)(F)CNN=C1CC(c2cccc(Cl)c2)C1 769825305 PXLRXKDEUNRYDY-UHFFFAOYSA-N 276.689 3.725 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccccc2)ccc1F 770568299 CKIDVUYZFDXYCJ-VQHVLOKHSA-N 251.260 3.593 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc(F)c(C#N)c1 770571734 WCWSSDYDLIDEJM-YVMONPNESA-N 295.313 3.911 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2ccc(C#N)cc2F)c1 772801204 KQJWCPMOEDTTRP-FNORWQNLSA-N 281.286 3.608 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc(Cl)cc1 773161214 QKRKXUHWIYTLBG-AUWJEWJLSA-N 280.714 3.704 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)c1ccc(N(C)C)cc1 773908043 YEFSTQFIQCIVIH-QXGSTRBFSA-N 298.386 3.647 30 20 CHED CC[C@@H](N[C@H](C)Cc1ccco1)c1ccc(C#N)cc1 774116902 PDIVRDVUHAHDHH-CXAGYDPISA-N 268.360 3.823 30 20 CHED C[C@H](OC(=O)[C@H]1CCCC1(C)C)c1ccc(C#N)cc1 774144282 ITYKAFUHNSMADN-SWLSCSKDSA-N 271.360 3.989 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCSC(C)(C)C 775737324 QRGPZCWXGWEMOO-GFCCVEGCSA-N 272.458 3.562 30 20 CHED Cc1nc(C=NN[C@H](Cc2ccccc2)C(C)C)cs1 777448207 NAFYEVQWNFADGL-MRXNPFEDSA-N 287.432 3.642 30 20 CHED Fc1ccc(/C=C\C=NOCCC(F)(F)F)c(F)c1 777461067 UZBFCXJYVCMXNK-PGAOEHQISA-N 279.208 3.933 30 20 CHED C#CCCCCCC(=O)Nc1cccc(Cl)c1OC 779865402 MVIXADMIAGDELZ-UHFFFAOYSA-N 279.767 3.871 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)Cc2ccccc21 779916748 FKCZVFLUICYFHY-HNNXBMFYSA-N 269.388 3.796 30 20 CHED C#CCCCCCC(=O)Nc1cccc(-c2cn[nH]c2)c1 779946110 NZZLIBBWXUURLP-UHFFFAOYSA-N 281.359 3.599 30 20 CHED Cc1cc(F)ccc1/C=C1/Cc2cc(O)ccc2C1=O 780188507 MJLUIJQBQCPROU-QPEQYQDCSA-N 268.287 3.662 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)c1cc(Cl)c[nH]1 780498459 YTWQTTORWMADMP-UHFFFAOYSA-N 295.125 3.550 30 20 CHED CC1(C)CC[C@@H](C(=O)OCc2ccc(F)cc2C#N)C1 781706575 UROPZCDAOCHNND-LLVKDONJSA-N 275.323 3.567 30 20 CHED Cc1cccnc1NN=Cc1cc(Cl)cs1 782285017 MTARRULGKWNSDL-UHFFFAOYSA-N 251.742 3.551 30 20 CHED Cc1nc2c(s1)C(=NN[C@H]1CCCC1(C)C)CCC2 782287023 IWRYZZGYDPAGNH-ZDUSSCGKSA-N 277.437 3.660 30 20 CHED CNc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1 784696283 ANXOHXGXCQWQMM-GFCCVEGCSA-N 280.327 3.518 30 20 CHED C#CCC1(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)CCCCC1 788168500 MQTOZKXDTIIROA-GDBMZVCRSA-N 299.414 3.993 30 20 CHED Cc1cc(C=NOC2CCCCC2)cc(Cl)n1 788726439 RJVFDRSEZAUKBS-UHFFFAOYSA-N 252.745 3.727 30 20 CHED CC(C)(C#N)C(=O)OCCc1cccc(Cl)c1Cl 788918232 CUZMKKBHJHQSRR-UHFFFAOYSA-N 286.158 3.629 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H](c2ccccc2)CC1 791070099 QUELXZCUTZVGOY-ZWKOTPCHSA-N 298.430 3.768 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cccc(NC(=O)CC)c1 791767653 KACOHYRBNHTFNM-QGZVFWFLSA-N 289.375 3.681 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NN[C@@H](C)C(C)(C)C 793110767 BSSXCXPYSGXRHW-ZDUSSCGKSA-N 286.423 3.896 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1c(Cl)nc2sccn12 793110930 CUVHGCYMSWPAHN-VIFPVBQESA-N 298.843 3.797 30 20 CHED CCN(Cc1ccc(O[C@@H](C)C#N)cc1)CC1CCC1 793353090 RGLHBSMXBIYIPX-AWEZNQCLSA-N 272.392 3.599 30 20 CHED CC(C)[C@@H]1CCCC(=NNc2nccnc2Cl)C1 794511706 HVKLEHOAFQUINH-SNVBAGLBSA-N 266.776 3.744 30 20 CHED CC(=NNCCC(F)(F)F)c1cc2ccccc2o1 794544639 DAYMAWNMINJLHD-UHFFFAOYSA-N 270.254 3.699 30 20 CHED CCc1c(C(=O)/C=C/c2c(C)cnn2C)oc2ccccc12 794696597 HHDOVNUKAUAAJL-MDZDMXLPSA-N 294.354 3.933 30 20 CHED O=C(/C=C\c1ccc(C(F)F)cc1)c1cccnc1 794926095 ITCPVDQAJJZSJL-YVMONPNESA-N 259.255 3.915 30 20 CHED CC(C)CNN=C1CCC(N(C)Cc2ccccc2)CC1 797785959 AHXSDWOODMBNBM-UHFFFAOYSA-N 287.451 3.663 30 20 CHED C#C[C@H](NC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C)C(C)C 798551905 ICAZUUWMDYUXCX-JQHSSLGASA-N 298.430 3.540 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2cc(OC)ccc2nc1C 798554814 VGKIESYZFDEJEV-CQSZACIVSA-N 298.386 3.636 30 20 CHED CC(C)C[C@H](C)C=NNc1nnc(-c2ccccc2)n1C 799109091 VCLLWRCWASJFGT-ZDUSSCGKSA-N 285.395 3.562 30 20 CHED CCc1cccc(C)c1NN=Cc1cc(C#N)cs1 799493759 OFEGJYJBRISHHG-UHFFFAOYSA-N 269.373 3.937 30 20 CHED CC1CC(C#N)(C(=O)O[C@@H]2CCc3cc(Cl)ccc32)C1 803394513 GLIDLVRMXCZGLI-XHYCCTMSSA-N 289.762 3.810 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OCCCCCF)c1 803832883 KCEMGAACDBQKKF-UHFFFAOYSA-N 269.703 3.508 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CCC[C@@H]2C[C@H]21 804290454 HKPPLRZYRZJRIZ-IXDOHACOSA-N 295.467 3.889 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCCC(C)(C)C 804831142 FRGOPMFZMRIIJX-UHFFFAOYSA-N 271.404 3.865 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C\c1cccc(F)c1 804834505 IUJIEQPMFQBWSV-QXMHVHEDSA-N 293.341 3.501 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(OCC#N)cc1 806176564 MPUKRBLLLCTAKY-AWEZNQCLSA-N 285.391 3.570 30 20 CHED C#Cc1cncc(C(=O)NC2CCC3(CCCCC3)CC2)c1 807360887 BRTMSXCLIJMQNK-UHFFFAOYSA-N 296.414 3.686 30 20 CHED CCc1cccnc1C(C)=NNc1ccc([N+](=O)[O-])cc1C 807989882 PESJHXMWXTZOBX-UHFFFAOYSA-N 298.346 3.697 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)C1CC(C)(C)C1 808002283 YRUZVYCGQKAGEB-UHFFFAOYSA-N 293.750 3.562 30 20 CHED C#CCC1(c2nc(-c3cc(C)ccn3)no2)CCCCC1 809294492 LSUZZLSBAOQYFG-UHFFFAOYSA-N 281.359 3.665 30 20 CHED N#CCC1(COC(=O)CCCc2ccccc2Cl)CC1 810598987 KORTVMMIBDHFCT-UHFFFAOYSA-N 291.778 3.900 30 20 CHED C=CCCCCOC(=O)c1c(Cl)nc2ccccn12 811010153 LLYSHNBTYSADKK-UHFFFAOYSA-N 278.739 3.501 30 20 CHED C=CCCCCOC(=O)[C@H]1Cc2ccccc2S1 811012626 RGLCLYWAHFJENB-CQSZACIVSA-N 262.374 3.603 30 20 CHED Cn1ccnc1NN=Cc1c[nH]c2ccc(C(C)(C)C)cc12 811649801 XXKHLBYGWKUITF-UHFFFAOYSA-N 295.390 3.645 30 20 CHED Clc1ccc(C=NNC[C@@H]2CCSC2)cc1Cl 811660506 OJLRFVMZXJJIBE-JTQLQIEISA-N 289.231 3.670 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(F)c(Cl)c1 811670453 SMDPXHJRVOCREP-QHFDXLHDSA-N 262.111 3.972 30 20 CHED Cc1cccc2c1OC/C(=C\c1cccc(F)c1C#N)C2=O 811688838 UBYDZDXWFYPBJL-MDWZMJQESA-N 293.297 3.665 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1cccc(F)c1F 811694402 SERFIXWIFZAOPO-BQYQJAHWSA-N 287.240 3.872 30 20 CHED C#C[C@H](NC(=O)[C@H](C)[C@@H](C)CC)c1ccc(Cl)cc1 811946958 PAMTWBUOLSUOBA-ZOWXZIJZSA-N 277.795 3.813 30 20 CHED CCCCCCCC(=O)Nc1nc(Cl)c(C#N)s1 813369462 KTYMUBCDVMSQMK-UHFFFAOYSA-N 285.800 3.967 30 20 CHED CC(=NNc1cc(C)ccc1F)c1cc(F)c(N)c(F)c1 814872800 YTZYNDYSTOUPKL-UHFFFAOYSA-N 293.292 3.831 30 20 CHED CCc1cnc(C=NNc2ccc(Cl)c(OC)c2)s1 814919813 QHZJIXWJDGKGDG-UHFFFAOYSA-N 295.795 3.814 30 20 CHED N#Cc1ccc(NN=C2CC3(CC3)C2)c(C(F)(F)F)c1 814923592 UXLODYGGVGJCEN-UHFFFAOYSA-N 279.265 3.919 30 20 CHED C=CCC(C)(C)c1noc(CCCOC(C)(C)C)n1 815705322 GTRSUWZFSNYYEP-UHFFFAOYSA-N 266.385 3.671 30 20 CHED CC1=CC[C@H](Nc2ccc(F)cc2OCC#N)CC1 816565087 ASAMEEQJYSXXLO-ZDUSSCGKSA-N 260.312 3.639 30 20 CHED C#CCCCC(=O)Nc1csnc1-c1ccccc1 821629466 OATFBAKFTGBGRW-UHFFFAOYSA-N 270.357 3.552 30 20 CHED CCCCCCC[C@H](C)CNC(=O)/C=C\[C@H]1CCOC1 822678101 VFRCTPVOKFCMAM-VNEPOGMYSA-N 281.440 3.692 30 20 CHED C#CCOc1ccc(NC(=O)N(C)CCC(C)(C)C)cc1 831448253 RCHAFKNHPDEARJ-UHFFFAOYSA-N 288.391 3.599 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc2ccccc2c1O 834894472 SSZMHHNWRFJBIM-VHSSKADRSA-N 297.398 3.930 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccncc1F 834960481 QVPALGUOZWKACC-GFCCVEGCSA-N 251.349 3.503 30 20 CHED CC[C@@H](C)NN=Cc1cnc(-c2ccccc2F)s1 834972577 IHMOVRHJNRJMAN-SNVBAGLBSA-N 277.368 3.671 30 20 CHED CCC(=NNc1ccc(C(=O)O)c(F)c1)C1CCCC1 835009154 ORVIVQHBUWYFBI-UHFFFAOYSA-N 278.327 3.892 30 20 CHED CCCC(CC)=NNc1ccc(C(=O)O)c(F)c1 835009877 GRQLZZUCDFKYGG-UHFFFAOYSA-N 252.289 3.502 30 20 CHED Cc1cc(C=NN[C@@H]2CCc3c(F)cccc32)c(C)o1 835020447 LXIZFXOSVAEZAJ-MRXNPFEDSA-N 272.323 3.647 30 20 CHED C[C@@]1(C(=O)[C@H](C#N)c2nc3ccccc3o2)CC=CCC1 835076342 HQQMJCFJRWUHKV-YVEFUNNKSA-N 280.327 3.750 30 20 CHED C=CCCCCOC(=O)C1(C(F)(F)F)CCC1 835448959 DPYZQOPAMXKKEN-UHFFFAOYSA-N 250.260 3.619 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C#CC1CC1 837376248 BKXSRBRLBMSLCE-MSOLQXFVSA-N 281.399 3.585 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1OC(C)(C)C 837424978 ZVCGKSFZWXFLFL-UHFFFAOYSA-N 273.376 3.852 30 20 CHED CCCCN(Cc1ccccc1O)C(=O)C#CC(C)(C)C 837603012 CIHINECRTJPHPQ-UHFFFAOYSA-N 287.403 3.570 30 20 CHED C=C(C)CN(C)C(=O)c1cc2cccc(C)c2nc1Cl 839319916 YUGQSMRKBOBYOW-UHFFFAOYSA-N 288.778 3.845 30 20 CHED CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)[C@H]1CC1(C)C 841891769 UNVRJZQJHUIXHY-XYPHTWIQSA-N 286.419 3.892 30 20 CHED C#C[C@@H](OC(=O)CCCCCC#N)c1ccc(F)cc1 842407903 PSOLGIYKRKMBTE-OAHLLOKOSA-N 273.307 3.517 30 20 CHED C[C@@H](OC(=O)CCCc1c(F)cccc1F)C(C)(C)C#N 847667692 KXWBPILFTCCNGE-LLVKDONJSA-N 295.329 3.769 30 20 CHED C=CCCCCC(C)=NNc1ccc(CC(=O)O)cc1 848413991 HAXPNFILUCLTJE-UHFFFAOYSA-N 274.364 3.848 30 20 CHED N#CCC1(CNc2ccc3ccnc(Cl)c3c2)CC1 849317438 PTIZRMGFDNYMAQ-UHFFFAOYSA-N 271.751 3.994 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1ncoc1C1CC1 851141459 ASMNOYITJRQBJF-WCQYABFASA-N 275.348 3.844 30 20 CHED C=CC(C)(C)CCOC(=O)c1ccc(-c2n[nH]c(C)n2)cc1 851299763 YRPDPWSVDFESGS-UHFFFAOYSA-N 299.374 3.539 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@H]1CCO[C@@H](CC)C1 851300483 URFQKCHYAJHJDI-KBPBESRZSA-N 268.397 3.727 30 20 CHED C#CCCCN1CCO[C@H](c2cccc(Cl)c2)[C@H]1C 852573639 QCNSKASQGYUPAJ-CJNGLKHVSA-N 277.795 3.515 30 20 CHED CC(=NOCC1CCC1)c1c(C)nn(C(C)C)c1C 853439764 MVWBHTPUUKWXOP-UHFFFAOYSA-N 263.385 3.622 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 855945766 FASMVQSLZPMYEW-CMPLNLGQSA-N 285.721 3.524 30 20 CHED C=CCNC(=S)N(Cc1cccc(Cl)c1)CC(C)C 857204838 XBGGASDXJBYYSB-UHFFFAOYSA-N 296.867 3.859 30 20 CHED C=CCN(C(=O)/C=C/c1ccc(SC)s1)C1CC1 860575148 BICWCWCWLFTFIM-SOFGYWHQSA-N 279.430 3.660 30 20 CHED C[C@]1(C#N)CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 865672384 JCTHHIXUSYMCBF-CQSZACIVSA-N 295.289 3.662 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1CCC=CCC1 873430153 JDBSFSZIUBIPAH-UHFFFAOYSA-N 263.381 3.996 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cccc(-c2ccncc2)c1 875768257 DIQFALSEFKFVSZ-UHFFFAOYSA-N 294.354 3.984 30 20 CHED C=C1CCC(c2nc(C3(OC)CCCC3)no2)CC1 896180529 BHFKSJFXVCJFBG-UHFFFAOYSA-N 262.353 3.699 30 20 CHED C=C1CCC(c2nc([C@@H]3CC3(Cl)Cl)no2)CC1 896815094 MTDBFFYRKHMORY-VIFPVBQESA-N 273.163 3.945 30 20 CHED C=CC[C@H](C)[C@@H](C)NCC(C)(C)C1CCOCC1 897452239 UZFKVQZDSCNITB-UONOGXRCSA-N 253.430 3.630 30 20 CHED C/C=C\c1ccc(OC(=O)c2ccc(C#N)cc2)c(OC)c1 900703904 TYVNIRSQEASWJH-ARJAWSKDSA-N 293.322 3.819 30 20 CHED CC[C@@H](N[C@H](C)C1(OC)CCC1)c1cccc(C#N)c1 903022745 ANPPHUUIGYZQQY-CZUORRHYSA-N 272.392 3.557 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cccc(OC(F)(F)F)c1 903100311 NJFKOJCFDMUUTO-SNVBAGLBSA-N 286.297 3.786 30 20 CHED C/C=C\C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915179828 JAPNMJWTWCDWSM-YMYNHAKTSA-N 276.339 3.857 30 20 CHED CCOc1ccc(N=Cc2cccc(O)c2O)cc1Cl 915980974 INMMQTFNBQNMHU-UHFFFAOYSA-N 291.734 3.901 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cc(O)ccc1O 916248670 LVIGNCFVESFPIL-UHFFFAOYSA-N 299.355 3.544 30 20 CHED CC(C)COc1cccc(N=Cc2cccc(O)c2O)c1 917556774 MKFYVXWYOQECOG-UHFFFAOYSA-N 285.343 3.883 30 20 CHED C=CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(C)C 917658599 BPIVMNDEIIYLGL-UHFFFAOYSA-N 289.423 3.552 30 20 CHED C=C(C)COCCNCc1cccc(Oc2ccccn2)c1 921848035 KYEWJBCKSZPRCW-UHFFFAOYSA-N 298.386 3.556 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCCOc2ccc(F)cc21 924827544 UGURCZCOIKNYMO-WFASDCNBSA-N 290.382 3.957 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2sccc2C#N)c1C 931836231 CTBVJUODFMYWMM-UHFFFAOYSA-N 299.399 3.901 30 20 CHED Cc1coc(C(=O)O[C@@H](C#N)C2CCCCC2)c1C 1117163460 FCSMYSGRNNEALI-ZDUSSCGKSA-N 261.321 3.526 30 20 CHED CC1(C)Cc2cc(NC(=O)c3csc(C#N)c3)ccc2O1 1117870895 OBODUKYFYZUSBG-UHFFFAOYSA-N 298.367 3.586 30 20 CHED C=CCn1cnnc1SCC[C@@H]1CCc2ccccc21 1118471461 RGGRTKOOZKFEEP-AWEZNQCLSA-N 285.416 3.676 30 20 CHED C=C(C)CCC(=O)Nc1cccc2c1CN(CC(C)C)C2 1120621625 FAJHYHVWUKPBRR-UHFFFAOYSA-N 286.419 3.953 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2c(C)cccc2o1 1121159964 BIMUOBOYZNWTJT-GFCCVEGCSA-N 270.332 3.506 30 20 CHED C=C(CC)C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1123730556 ULNMOOPLEOHGBM-IAGOWNOFSA-N 287.403 3.545 30 20 CHED CCCC1(C(=O)Nc2cc(F)cc(C#N)c2)CCC1 1132445283 CMGQPSLSSDWDIC-UHFFFAOYSA-N 260.312 3.606 30 20 CHED Cc1ccnc(NCC2(c3cccc(F)c3)CCC2)c1C#N 1164099087 PAWADCGPJDNARF-UHFFFAOYSA-N 295.361 3.935 30 20 CHED Cc1cc(NCc2cc(Cl)ccc2C)ncc1C#N 1164289061 ZTLSGRVAAOKIDA-UHFFFAOYSA-N 271.751 3.836 30 20 CHED N#CC1(CCN2CCC(C3CC3)CC2)CCCCC1 1194891173 SEFLLRBLFBAGII-UHFFFAOYSA-N 260.425 3.973 30 20 CHED C=CCCCOC(=O)c1cc(C)n(CC2CC2)c1C 1251922979 HYTMTUSBJSYACI-UHFFFAOYSA-N 261.365 3.638 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1cc2ccccc2[nH]1 1261295487 ACTXINOUBOHYMN-UHFFFAOYSA-N 285.391 3.522 30 20 CHED Cc1nsc(NC[C@@H]2CCC[C@@H]2C2CC2)c1C#N 1307141892 NVNGZNUBVSNESQ-NWDGAFQWSA-N 261.394 3.561 30 20 CHED N#Cc1ccccc1OCCN(c1ccccc1)C1CC1 1307770956 YFPOBICMKSXTGO-UHFFFAOYSA-N 278.355 3.606 30 20 CHED COc1cc(C=NNc2cc(F)c(F)c(F)c2)ccc1F 1319468173 PGKQDTJAOSMVLG-UHFFFAOYSA-N 298.239 3.698 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1F 1320164696 LMMYBNTUDZBSFK-VURMDHGXSA-N 274.266 3.870 30 20 CHED COc1cccc2cc(CN[C@@H]3CCC[C@@H](C#N)C3)oc12 1321016477 UKSFUTNFSHKCQS-TZMCWYRMSA-N 284.359 3.613 30 20 CHED CCC[C@H](C#N)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1321413995 JUVHAURAIBGUMX-SNVBAGLBSA-N 289.766 3.552 30 20 CHED CC(C)(C)ON=Cc1cccc(OCCCC#N)c1 1323132641 PDQRKPQEOLZCGJ-UHFFFAOYSA-N 260.337 3.518 30 20 CHED C=CCOc1ccc(Cc2nnc(C3CCCC3)o2)cc1 1330094187 TVMQQRQTPYHRAJ-UHFFFAOYSA-N 284.359 3.883 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccc(C)o1)C1CC1 1333668450 MRMMZMRICJHBGF-CYBMUJFWSA-N 261.365 3.681 30 20 CHED C=CCOc1cccc(CN(C)[C@H]2CC[C@@H](SC)C2)c1 1341568670 ANOLFBPCQBSYNF-DOTOQJQBSA-N 291.460 3.967 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)C1CCC(=C)CC1 1344726509 VXXJMRRNLAXJDR-INIZCTEOSA-N 266.381 3.505 30 20 CHED Cc1cc(CNc2cccc(OCCCC#N)c2)cnc1F 1345079056 ZIXPIDAOASPQJQ-UHFFFAOYSA-N 299.349 3.824 30 20 CHED C=C[C@@H](C(=O)Nc1c(C)noc1C1CC1)c1ccccc1 1347136604 HRAOCHFJPDDGMH-CQSZACIVSA-N 282.343 3.769 30 20 CHED Cc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1 1347986192 YZSGVVAVRVJLHR-MRXNPFEDSA-N 264.328 3.631 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1ccc(C#N)cc1 1352716104 YZMCVSYKMNCCBH-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#Cc1ccc(CSc2ccccc2C#N)s1 1472990198 RAIBNWNSMCOLCE-UHFFFAOYSA-N 256.355 3.784 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 1475916991 NOSPYIRTRYCBSJ-IPYPFGDCSA-N 285.391 3.752 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1 1476707779 PYKAZKCNXJFBSQ-AAEUAGOBSA-N 289.354 3.788 30 20 CHED C#Cc1ccc(N[C@@H]2CC[C@H](CC(=O)O)[C@H]2C)c(Cl)c1 1588517898 JABDVCWCAJQHGR-MPKXVKKWSA-N 291.778 3.623 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(Cl)c1C(=O)O 1588737284 HSZNXVHZRPGDDD-UHFFFAOYSA-N 293.750 3.745 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CC[C@H](C(=O)O)C1 1595705363 XYDXHZSWDATIHN-NKSUMMKUSA-N 295.423 3.616 30 20 CHED O=C(O)CCC[C@H]1CCCC(=NOC/C=C\Cl)C1 1601979765 BPEHGRAGQYXOQW-ZXDCOKODSA-N 273.760 3.557 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc([C@@H](C)C(=O)O)c1 1604123847 MWNQUWNFKHKENH-VXGBXAGGSA-N 274.364 3.615 30 20 CHED CCCC[C@@H](Sc1nc(C)c(C#N)cc1Cl)C(=O)O 1605249577 GNWLBYHOHKFEFS-LLVKDONJSA-N 298.795 3.651 30 20 CHED CCc1nc(C#N)cc(N2C[C@@H](C(C)C)c3ccccc32)n1 1639868544 XGJBDESEEGOCGP-HNNXBMFYSA-N 292.386 3.802 30 20 CHED N#Cc1ccc(=O)n(Cc2ccc(C3CCCCC3)cc2)c1 1641190534 YASZPVFIUBYZHY-UHFFFAOYSA-N 292.382 3.816 30 20 CHED Cc1nnc(N[C@H]2CCC(C)(C)C[C@@H]2C)c(C#N)c1C 1642369795 CPPGDKCLDWEIQL-HZMBPMFUSA-N 272.396 3.592 30 20 CHED COc1ccc(C[C@@H]2CCN2CCCC(C)(C)C#N)cc1 1644771248 CWQIFPQVKMYLNQ-INIZCTEOSA-N 286.419 3.642 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1cc(Cl)ccc1F 1651716397 OYBMLDNNCBRQCD-SECBINFHSA-N 275.714 3.919 30 20 CHED O=C(O)c1ccc(NN=C2C[C@@H]3CC=CC[C@H]3C2)cc1 1776014025 CNSIHZOTLVKHBH-STQMWFEESA-N 270.332 3.529 30 20 CHED C=C(C)C[C@H](NCc1ccc(-c2ccccc2)cc1)C(=O)O 1776137780 WENVEKSVNPWWRL-SFHVURJKSA-N 295.382 3.863 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(C3(C(=O)O)CC3)cc2)C1 1776165171 YUSITFKHKWODAU-OAHLLOKOSA-N 299.414 3.591 30 20 CHED CC(C)c1ccc(C(=O)COc2cccc(C#N)c2)cc1 6401947 GYKNQDWVUORKJO-UHFFFAOYSA-N 279.339 3.943 30 20 CHED CCCC[C@@H](CC)C(=O)N1CCc2cc(C#N)ccc21 416019958 NUJQQFWWNWRNTK-CQSZACIVSA-N 270.376 3.664 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)CC(C)C 57509473 SRQGLUKNDNQMNT-UHFFFAOYSA-N 281.739 3.562 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc(Oc2ccccc2)cc1 113695085 HAJHTDHHLICKOV-CYBMUJFWSA-N 281.311 3.938 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2cccs2)cc1 57737134 CMYOZYGXRNOURB-UVMWJGKXSA-N 283.352 3.935 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 173303122 SPCRESZVAUPERZ-CXAGYDPISA-N 291.354 3.783 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](CC)Cc1ccccc1 176861790 WKSHZDCLHFHKLQ-HOCLYGCPSA-N 274.408 3.614 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(C)ccc1O 50177831 JKUJWAJKZHYAJJ-UHFFFAOYSA-N 283.327 3.518 30 20 CHED C[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1cccc(C#N)c1 62050266 KYZSDYDTCQMLDD-UONOGXRCSA-N 282.362 3.979 30 20 CHED CC(C)Oc1cccc([C@H](C)Nc2ncccc2C#N)c1 52280453 WTSFQQIDWYXOBS-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCc2sccc2C1 58451495 PQELSWPIFYMYNO-UHFFFAOYSA-N 297.383 3.518 30 20 CHED C=CCCCN1CCC(c2nc3ccccc3o2)CC1 117870830 SAJMRAWWKLAVFU-UHFFFAOYSA-N 270.376 3.973 30 20 CHED COc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1C#N 173018217 BKICGSJCUXDJGA-MLPAPPSSSA-N 293.297 3.528 30 20 CHED C=CCN(CC)Cc1cc(Br)ccc1F 63751542 VZJZHULCWFBYBH-UHFFFAOYSA-N 272.161 3.596 30 20 CHED N#Cc1ccc(N2CCC[C@H](Nc3ccccc3)C2)c(F)c1 301685366 VFOUJYRUSDKGQB-INIZCTEOSA-N 295.361 3.778 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)C1(C)C 26124135 UQSPDNBLNOZTDZ-KBRIMQKVSA-N 296.414 3.974 30 20 CHED C=CCCOC(=O)c1scc(C)c1Br 753652330 QGTFFIMVUODRAO-UHFFFAOYSA-N 275.167 3.552 30 20 CHED Cc1ccc(C)c(CSc2cccc(C#N)n2)c1 301860131 SUGXTHPGWWKZNQ-UHFFFAOYSA-N 254.358 3.862 30 20 CHED COc1ccc2cc([C@H](C)C(=O)O[C@@H](C)CC#N)ccc2c1 113687454 WLJXROXQICDEFN-STQMWFEESA-N 297.354 3.797 30 20 CHED C=CCN(CCOc1ccccc1C#N)Cc1cccs1 60465249 XWCMIVAVDVVRMX-UHFFFAOYSA-N 298.411 3.687 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N(C)c1ncccc1C#N 301359474 ZWVJEEFHBQXEQA-LBPRGKRZSA-N 285.778 3.674 30 20 CHED Cc1ccc(Oc2ccc(C#N)cn2)c(Br)c1 20077850 JHAFFFRLCYRCDH-UHFFFAOYSA-N 289.132 3.817 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1CCCc1ccccc1 301716106 XIQCSXLYTDIZSL-SFHVURJKSA-N 291.398 3.945 30 20 CHED Cc1ccc(C(C)C)c(OS(=O)(=O)CCCCC#N)c1 68868933 IKOHEWJYVWUWDS-UHFFFAOYSA-N 295.404 3.521 30 20 CHED CC#CCSc1nc2c(c(-c3ccco3)c1C#N)CCC2 409723635 XQUCCJOKVKFFFK-UHFFFAOYSA-N 294.379 3.817 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1coc2ccccc12 113013678 HTQWWLMYKOCZGX-UHFFFAOYSA-N 293.278 3.532 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@](C)(C#N)CCc2ccccc2)C1 119812752 IKMYLJTZSCJWML-AYBZRNKSSA-N 298.430 3.844 30 20 CHED Cc1cncc(CNc2cc(Cl)ccc2C#N)c1 230306616 IJMIIYPUTHOGLG-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC[C@@H]1CCCCN1c1ccc2cc(C#N)ccc2n1 301993243 ZHUVARSYAJGRTF-OAHLLOKOSA-N 265.360 3.875 30 20 CHED C=C(C)CCC(=O)NCc1ccccc1N1CCCCC1 1353627743 GEZSXGLFHZDKSN-UHFFFAOYSA-N 286.419 3.649 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(OC)cc(OC)c1 124457749 RJVGFSXQVXJHNF-LBPRGKRZSA-N 292.379 3.570 30 20 CHED C#CCOc1ccccc1CNc1ccc(C#N)c(Cl)c1 37393160 NRGXWQFZWKWALJ-UHFFFAOYSA-N 296.757 3.836 30 20 CHED Cc1cc([C@H](C)Nc2ccc(OCC#N)cc2)c(C)o1 34956885 CVZQVPGJGJYEPT-LBPRGKRZSA-N 270.332 3.972 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)s2)C1 180243606 QDVYSAAOOROQFF-RYUDHWBXSA-N 280.462 3.726 30 20 CHED C#CCCOc1ccc(CN[C@H](C)c2c(C)noc2C)cc1 73007302 ADTLLLJZBAMGDD-CYBMUJFWSA-N 298.386 3.544 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 183879080 LSZLWDFKSCQVEC-LSDHHAIUSA-N 292.810 3.888 30 20 CHED C=C(C)COCCNCc1ccc(Cl)cc1Cl 125780021 GKRFIKPRIDJNRE-UHFFFAOYSA-N 274.191 3.676 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccccc1Cl 127122994 MPVUSWIAVIUSPW-QMTHXVAHSA-N 296.823 3.629 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cnn(C(C)C)c1 414543130 ZBSUSGMRLVOWGT-SFHVURJKSA-N 283.419 3.741 30 20 CHED N#Cc1cc(F)ccc1CSCC1CC(F)(F)C1 419408982 YJGCOMGRSJYQKO-UHFFFAOYSA-N 271.307 3.976 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2F)cnn1C(C)C 188886587 VSDCBJWUCUHXQH-CMDGGOBGSA-N 272.323 3.808 30 20 CHED Cc1ccncc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 611327086 HNTHBBCIWFYYQA-ZIAGYGMSSA-N 265.360 3.674 30 20 CHED Cn1nccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 31823882 HBNAQRGNPGBYPA-VAWYXSNFSA-N 288.350 3.983 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](OC)c1cccc(Cl)c1 188466174 DRUVQSDZSZHJFV-ZBFHGGJFSA-N 295.810 3.746 30 20 CHED C=CCCN[C@H](C)c1cccc(Br)c1 70591755 OOSCGSADYYPQRG-SNVBAGLBSA-N 254.171 3.676 30 20 CHED C[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)C(C)(C)C 505706441 NWCAWZHOEZASGR-ZWNOBZJWSA-N 278.783 3.703 30 20 CHED COc1cc(C#N)ccc1CN(C(C)C)C1CCCC1 121370457 RTSRNBAOSOMCDH-UHFFFAOYSA-N 272.392 3.720 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cn(C)nc1C 414310096 VZNMWORIUSIAPO-YOEHRIQHSA-N 283.419 3.567 30 20 CHED CC(C)[C@@H](C)SCc1nnc(-c2ccc(C#N)cc2)o1 79077653 TXDCNKJBNCVNCD-LLVKDONJSA-N 287.388 3.886 30 20 CHED N#CC1(CSc2ccc3c(c2)OCCCO3)CCC1 450610345 GLCDKUJNVFMTKM-UHFFFAOYSA-N 275.373 3.634 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)[C@H](C)CC 182609823 VJAXCFSFZSWJBT-OLZOCXBDSA-N 265.422 3.945 30 20 CHED Cc1cncc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)c1 184761834 LYLLMFZODOTOJU-SNAWJCMRSA-N 267.328 3.609 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc2ccccc2c1 503650165 QMVOWVABTXAGNR-GOSISDBHSA-N 280.371 3.898 30 20 CHED Cc1nc(NC[C@@H]2CC=CCC2)c(Cl)cc1C#N 336792523 SJKRBFAHQOEQAX-LLVKDONJSA-N 261.756 3.683 30 20 CHED CC[C@H](N[C@@H]1C[C@@H](OC)C12CCC2)c1ccc(C#N)cc1 414186052 OVZCUETUHYONRN-GVDBMIGSSA-N 284.403 3.557 30 20 CHED CC(C)(C#N)CCCN1CCS[C@H]2CCCC[C@H]21 246066757 BUBJUSSMUZRYLX-KGLIPLIRSA-N 266.454 3.676 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(CC#N)cc1 184626372 FYNCQVMYVRBSIV-GXTWGEPZSA-N 256.349 3.517 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccc(F)cc2)cc1 131764675 QTGLITNCTBRTQM-CQSZACIVSA-N 283.346 3.689 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(NC(=O)C2CC2)c1 134924176 AJBHJVKRQJRLGL-KRWDZBQOSA-N 286.375 3.576 30 20 CHED Cc1cc(C)c(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)o1 79172726 BOVNRZUAXWAERQ-LLVKDONJSA-N 288.372 3.966 30 20 CHED CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 181998612 ZUKKBYVOZGEUEE-UGSOOPFHSA-N 298.361 3.736 30 20 CHED CCc1ccc(-c2ccc(C(=O)N[C@H](CC)CC#N)o2)cc1 183834439 BJRIVJQAKUOAAI-OAHLLOKOSA-N 296.370 3.931 30 20 CHED C=C(C)CN(CC)C(=O)CS[C@@H](C)c1ccccc1 131477006 ZEDALKINRQHRSC-AWEZNQCLSA-N 277.433 3.905 30 20 CHED C=C(CC)CNC(=O)C[C@H](c1cccs1)n1cccc1 412400609 DNGJFYNNMXKELB-CQSZACIVSA-N 288.416 3.612 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C(C)C)nc1C 410775428 LNLHRSAODKTLBT-AWEZNQCLSA-N 272.392 3.694 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc3c2OCCO3)o1 83982121 SKYKMGAEYZKVJF-SOFGYWHQSA-N 284.311 3.509 30 20 CHED O=C(/C=C/c1nccn1-c1ccccc1)c1cccs1 191207317 GCMDNMYXNSHCCY-CMDGGOBGSA-N 280.352 3.830 30 20 CHED C[C@@H](C1CC1)N(C)c1ccc(C#N)c(Br)c1 228178685 KYGSRRBNOPQSCC-VIFPVBQESA-N 279.181 3.555 30 20 CHED CCN(Cc1cc(Cl)ccc1Cl)C[C@@H](C)C#N 87759869 IYSLIBIYGXSVQA-JTQLQIEISA-N 271.191 3.975 30 20 CHED C=C(C)CCc1noc(COc2ccccc2Cl)n1 508660044 GFMLKHPLRCBQTE-UHFFFAOYSA-N 278.739 3.811 30 20 CHED N#Cc1csc(CNc2cccc(Br)c2)c1 86573559 HYTOUZQYSYKFLX-UHFFFAOYSA-N 293.189 3.994 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NCCCSCC#N 191353491 RYOJJYHGWUEUTP-GJZGRUSLSA-N 268.470 3.828 30 20 CHED N#CCCN(CC1CC1)C(=O)c1cccc(-c2ccoc2)c1 89848598 PFMHMALOALXQOP-UHFFFAOYSA-N 294.354 3.712 30 20 CHED CC(C)Cn1cc(CN(C)[C@H](C)c2cccc(C#N)c2)cn1 425364869 HRNDSORKZQRADI-OAHLLOKOSA-N 296.418 3.604 30 20 CHED CC1(C)CC[C@@H](N/C(O)=N/Cc2nc(C3CC3)cs2)C1 329035040 YIRJKFCLNQPSJA-LLVKDONJSA-N 293.436 3.603 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Br)cn1C(C)C 80348202 CATGPIZBMDSSAR-SNVBAGLBSA-N 299.212 3.526 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](CCN2CCC(F)(C#N)CC2)C1 510950187 UALDDQCRDKKVMB-FICVDOATSA-N 266.404 3.776 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2c(C)nn(C)c2C)c1 49372111 SPHYDEOZBSKGNL-VOTSOKGWSA-N 268.360 3.550 30 20 CHED C[C@H]1CSc2ccccc2N1CCCSCC#N 134177390 OHNOPTJTAQJVDB-LBPRGKRZSA-N 278.446 3.634 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccccc1Cc1ccccc1 84907636 FDUXITMVUGGUST-CQSZACIVSA-N 293.370 3.559 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 424891907 MOYGONFRFDIRST-SKDZVZGDSA-N 296.414 3.878 30 20 CHED C[C@H](CCNc1nc2ccccn2c1C#N)c1ccccc1 513063837 JBNBMZGUPGOIFS-CQSZACIVSA-N 290.370 3.812 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)C1CCCC1 615925367 LHLJUESYYJBOCC-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED C[C@H](CCN(CCC#N)CC1CC1)c1ccccc1 193880837 PIMJLGNTFNUVMM-OAHLLOKOSA-N 256.393 3.806 30 20 CHED Cc1nc2c(/C(O)=N/[C@H]3C=CCCC3)cccc2o1 329964848 USYLTRQLTRNFIN-NSHDSACASA-N 256.305 3.550 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@@H]1CCCc2n[nH]cc21 329814199 UFAUCOFRIVSCOM-REWJHTLYSA-N 287.407 3.755 30 20 CHED COc1cc(C(C)=O)ccc1O[C@H](C)c1cccc(C#N)c1 190089335 VMRBURIMOWWZGN-CYBMUJFWSA-N 295.338 3.909 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc(C(C)=O)c2)s1 429009749 OZJKACHPHZYNOA-UHFFFAOYSA-N 298.367 3.637 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@H](C)CCC)c1 510989242 ZINHEJGLFRTVFZ-CYBMUJFWSA-N 276.380 3.904 30 20 CHED C#CCCCC(=O)NC(C)(c1ccccc1)c1ccccc1 192277425 LJGRXABQVWIALS-UHFFFAOYSA-N 291.394 3.870 30 20 CHED Cc1ccsc1CN(C)Cc1cn2ccccc2c1C#N 141257757 BUJJUIZVXZIVAJ-UHFFFAOYSA-N 295.411 3.813 30 20 CHED C=CCC[C@H](NC[C@H](OC)c1ccc(F)cc1)C1CC1 90176715 XFQYSHOKCBYODB-IRXDYDNUSA-N 277.383 3.848 30 20 CHED CC1(C)C(C(=O)N(CCC#N)c2ccc(F)cc2)C1(C)C 514981512 XUNARVBYUHZQAF-UHFFFAOYSA-N 288.366 3.755 30 20 CHED CC(C)COc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 424195396 CWJXNBWGKSNIJD-GOEBONIOSA-N 272.392 3.503 30 20 CHED CC(C)COCCSCc1ccc(C#N)cc1F 336964588 IAYLEKBAUGNNQE-UHFFFAOYSA-N 267.369 3.603 30 20 CHED C[C@H]1C[C@H](NCc2ccc(C#N)s2)c2ccccc21 334779371 ZQWUKXOCBBGWRL-ZBEGNZNMSA-N 268.385 3.958 30 20 CHED N#CCc1ccc(NCc2ccn(-c3ccccc3)n2)cc1 237835557 IGZVSCJUYSRRFI-UHFFFAOYSA-N 288.354 3.550 30 20 CHED CCN(C(=O)c1cccc(C(C)C)n1)c1ccc(C#N)cc1 337975634 KOHOGLAIFRLIIK-UHFFFAOYSA-N 293.370 3.743 30 20 CHED Nc1c(F)cc(Cl)cc1/C(O)=N/C[C@@H]1CC=CCC1 330694287 SRPXCHXQTSQCOJ-SECBINFHSA-N 282.746 3.722 30 20 CHED CN(C(=O)c1cc(C#N)ccc1Cl)c1ccccc1F 336375850 LWRYYGWRYOIAMQ-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CCC(=O)Nc1cccc(/C(O)=N/[C@]2(C)CC=CCC2)c1 331355680 QYURSMYWQQFMAX-QGZVFWFLSA-N 286.375 3.839 30 20 CHED CC1(C#N)CCC(NC[C@H]2CSc3ccccc32)CC1 336229192 LVGMVUWKOMHNTJ-CBCUQQMYSA-N 286.444 3.938 30 20 CHED CCOC(=O)C[C@@H](C)SCc1ccc(C#N)cc1Cl 438905591 ZLEANDZOBCOLMF-SNVBAGLBSA-N 297.807 3.787 30 20 CHED C=C(C)CN(C)Cc1c(F)ccc(Br)c1F 501052194 NVVRVVMUWOHSGE-UHFFFAOYSA-N 290.151 3.735 30 20 CHED COCC[C@H](Sc1cc(C#N)ccn1)c1ccccc1 340547653 HGUMWDNLANTCAZ-HNNXBMFYSA-N 284.384 3.823 30 20 CHED CC1(CC(=O)Nc2ccccc2CC#N)CCCC1 344336642 MZWVIISEZMNXGO-UHFFFAOYSA-N 256.349 3.662 30 20 CHED CC(C)[C@H](Sc1ccccc1C#N)C(=O)NC(C)(C)C 439705269 LZOPPRKFLRZSSN-AWEZNQCLSA-N 290.432 3.590 30 20 CHED N#CCc1cccc(C(=O)N[C@@H](c2cccs2)C2CC2)c1 340560495 GCHKBXWRQGRGDQ-MRXNPFEDSA-N 296.395 3.695 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(OC)c(C)cc1C 434893140 AKEQRPOUGUTBCO-AWEZNQCLSA-N 288.391 3.884 30 20 CHED CC1=CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 435589677 UCCCZKKAUBXUOL-UHFFFAOYSA-N 266.266 3.733 30 20 CHED CCC(C#N)(CC)c1nc([C@@H]2CCC[C@H](C)C2)no1 528113951 KENMYHNZFCVYSU-NWDGAFQWSA-N 261.369 3.945 30 20 CHED C=CCCO[C@H](C)C(=O)NCC1CCC(C(C)C)CC1 432322556 LUBYQXDKCIKPIR-QQFBHYJXSA-N 281.440 3.546 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)NCC1(CC#N)CC1 431097038 MEGOSXLZQMCLRR-HNNXBMFYSA-N 276.424 3.793 30 20 CHED C[C@@H](CN(C)c1c(C#N)cccc1C#N)c1ccccc1 436381082 HJNKHMYZPMRNNW-AWEZNQCLSA-N 275.355 3.670 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccn(C)c2C2CCC2)n1 344638041 QGRGHXGBLVAGJY-ZDUSSCGKSA-N 299.399 3.548 30 20 CHED C[C@@H](CCC#N)CN1CCc2c(F)cc(F)cc2[C@@H]1C 602483957 KJTQUWWDPOBYEX-RYUDHWBXSA-N 278.346 3.824 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2cccc3cc[nH]c23)c1 341431509 GXKJWMQMZOWRQB-UHFFFAOYSA-N 289.338 3.854 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@H](CCC#N)c2ccccc2)C1 246894160 RDPSQXQHCTULFG-HLLBOEOZSA-N 284.403 3.974 30 20 CHED CC[C@@H](C)[C@H](C)N(CCOc1cccc(C#N)c1)C1CC1 609204351 JBJAOCRPZCKKAG-CABCVRRESA-N 286.419 3.836 30 20 CHED CC(C)CN(Cc1nc(C(C)C)no1)c1ccc(C#N)cc1 346640904 KTSGEVWIIBUWFR-UHFFFAOYSA-N 298.390 3.727 30 20 CHED C=CCN1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 524989091 SVZGXIXRQXPROO-ZDUSSCGKSA-N 279.811 3.789 30 20 CHED N#Cc1cc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)ncn1 520706547 WAFYGTQWYSDDCW-HNNXBMFYSA-N 294.333 3.535 30 20 CHED CCc1ccc(C(=O)/C=C\c2cnc3c(C)cccn23)o1 255601646 CQZGBPPJUOBUNO-VURMDHGXSA-N 280.327 3.694 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 523567342 XSKZQHRLXBLUJI-QDEZUTFSSA-N 299.418 3.743 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H](c1ccccc1)C(C)(C)C 448739154 QGECZYJWFTUKOP-MRXNPFEDSA-N 295.386 3.712 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H](C)C2CCC2)c1C#N 343504600 HAUUKQLEHHWADM-JTQLQIEISA-N 263.772 3.540 30 20 CHED CC(C)(C)[C@H]1CN(c2nccnc2C#N)c2ccccc21 443961212 KTGBFSZBIIJGBV-ZDUSSCGKSA-N 278.359 3.630 30 20 CHED CC(C)(C/N=C\c1cc(Cl)ccc1O)c1ccncc1 255330128 NTCQKQJZEUNANQ-GRSHGNNSSA-N 288.778 3.837 30 20 CHED CO[C@@H](CNC[C@H](C)CCC#N)c1ccccc1Cl 602574192 SJCNHLPAWVXZHG-DOMZBBRYSA-N 280.799 3.557 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H]1CC[C@H](C#N)C1 600034092 DTOVFCVTVCTCCD-DZGCQCFKSA-N 294.354 3.677 30 20 CHED N#CCc1ccccc1C(=O)Nc1nc(C2CCC2)cs1 601537499 ANSPJNGXTARYJG-UHFFFAOYSA-N 297.383 3.729 30 20 CHED CC[C@]1(C)CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 353369869 BEQBYCRTPOAULH-MRXNPFEDSA-N 290.794 3.864 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 356771516 QVOVPNTXMBPPCC-SJORKVTESA-N 299.414 3.769 30 20 CHED C[C@@H](CCC#N)CNCCc1ccc2ccccc2c1 602527232 IPMLCTJNKIACKN-HNNXBMFYSA-N 266.388 3.912 30 20 CHED C=C(C)CCNCc1cn(C)nc1C1CCCCC1 449478664 SFWCJZAMZSORGJ-UHFFFAOYSA-N 261.413 3.524 30 20 CHED N#C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 601071121 WNCQERSVBILDMF-LLVKDONJSA-N 291.763 3.784 30 20 CHED FCCCCN(CCC(F)(F)F)CC(F)(F)F 352413496 PLBJTRCTVXMYHN-UHFFFAOYSA-N 269.204 3.553 30 20 CHED Cc1n[nH]c(C)c1CN(Cc1ccc(C#N)cc1)CC(C)C 350651367 AMUSKSQNRLMPCP-UHFFFAOYSA-N 296.418 3.556 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC1 354594112 KQGVOBMVGLQBTJ-UHFFFAOYSA-N 286.375 3.638 30 20 CHED CN(C(=O)[C@H]1CCCc2ccccc21)c1ccc(C#N)cc1 266243829 VNEZYJOITWCMQS-SFHVURJKSA-N 290.366 3.641 30 20 CHED C=CCCCCNC(=O)N[C@@H]1CCCOc2ccccc21 351774486 NCEROTLEGKGEDS-OAHLLOKOSA-N 288.391 3.556 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(-c2ccccc2)[nH]n1 538333440 ZTWHTZAUKRMNTB-ZDUSSCGKSA-N 283.375 3.551 30 20 CHED N#Cc1ccncc1NCc1ccc(-c2ccco2)cc1F 447801634 DHISHYIJSOYMBB-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 617789812 ULPWRRJEMXWHKY-OAHLLOKOSA-N 257.377 3.732 30 20 CHED Cc1cccc(C)c1C[S@](=O)Cc1ccc(C#N)cc1 356945380 WUHJRVQKOUYFOT-HXUWFJFHSA-N 283.396 3.624 30 20 CHED C=C(CN[C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 442774522 ZFTZSENQSYHWHH-MRXNPFEDSA-N 288.394 3.938 30 20 CHED C=CCOc1ccc(-c2nc3cccc(F)c3[nH]2)cc1OC 536142173 OMMLJSVOMLBCFO-UHFFFAOYSA-N 298.317 3.942 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)N(C)c1ccccc1 539095582 OSOPIDVMCZZWBO-ZDUSSCGKSA-N 263.406 3.737 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@](C)(C#N)C1 612167954 ZRODIGNZJMXFSH-ABAIWWIYSA-N 264.319 3.651 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(-c2ccccc2)o1 539300170 UFGUMGITVPJPRK-HUUCEWRRSA-N 285.387 3.782 30 20 CHED CCOc1ccc(CNC2CCC(C)(C#N)CC2)cc1 449100380 WOFCCHPFAMNPPK-UHFFFAOYSA-N 272.392 3.647 30 20 CHED C=CCCN1CCC[C@@H](Oc2ccccc2Cl)C1 532780394 LCQZWUHINYCTFX-CYBMUJFWSA-N 265.784 3.759 30 20 CHED Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OC(C)(C)C)c1 442788387 FDNXSVXFGOTXPG-GDBMZVCRSA-N 286.419 3.954 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2coc3ccccc23)no1 351108509 SKKOGHWCPNWQSA-YPMHNXCESA-N 282.299 3.541 30 20 CHED Cc1cc(C)c2cc(C(=O)N3CCC[C@](C)(C#N)C3)[nH]c2c1 612251693 QPDAFROJKWNSAI-GOSISDBHSA-N 295.386 3.551 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)c1cnccc1C#N 354560159 GDZQBCFZQHOPOW-UHFFFAOYSA-N 292.169 3.896 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@H]2CCC3(CCCCC3)O2)C1 618577998 XJWDVOWAKGNGJV-BZUAXINKSA-N 276.424 3.540 30 20 CHED CC[C@@H](C)n1ncc(NCc2ccc(C#N)cc2)c1C 359812074 XXBXSDXCVBYORL-GFCCVEGCSA-N 268.364 3.646 30 20 CHED C=C(CC)CNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 456810953 HWDGMFKHMNXUEF-GFCCVEGCSA-N 299.336 3.966 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](CCCC)C1CCC1)OCC 534417325 FIMUKJMJUDZHJV-HZPDHXFCSA-N 281.440 3.833 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)s1 362948870 LAVGNOBKHHXBHK-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=CCC(CC=C)C(=O)NCCOc1ccc(C)cc1C 532334501 YOGXELLZGNCVFT-UHFFFAOYSA-N 287.403 3.567 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@H]1C 362817335 KMLSUCYUAIKOMI-GFCCVEGCSA-N 261.390 3.589 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1cccs1 455515635 BJGNQZUHOPASDZ-GFCCVEGCSA-N 264.394 3.561 30 20 CHED Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@](C)(C#N)C1 612290593 FLBIAIDQWDLRQX-HNNXBMFYSA-N 291.782 3.806 30 20 CHED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccccn1 613409327 VFLFTUPUKPAJAB-LBPRGKRZSA-N 280.375 3.819 30 20 CHED C=CCCc1noc(CO[C@H]2CCCC[C@@H]2CC)n1 453229277 GOQLUAZFRFIPAI-STQMWFEESA-N 264.369 3.674 30 20 CHED COC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ccco1 613427263 XVWNOQNMXDXQRG-ZDUSSCGKSA-N 299.374 3.643 30 20 CHED C=CCCc1noc(C(C)(C)Cc2ccccc2OC)n1 453229447 GZGMCBMUSJVOFU-UHFFFAOYSA-N 286.375 3.717 30 20 CHED C=CCCN(C)Cc1ccc(OCc2cccnc2)cc1 276079240 ATPORNBTZJPEAZ-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC/C(Cl)=C/Cl 272470710 PIAVVVLDMMLCLW-LKJZUNMESA-N 271.147 3.708 30 20 CHED CCCOc1ccc(C(C)(C)NCCCC#N)cc1 361554971 WKFOOWPFYGZPDR-UHFFFAOYSA-N 260.381 3.604 30 20 CHED CC(C)Oc1ccccc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 549536218 PJLZHLSPQPFJOZ-ZNMIVQPWSA-N 272.392 3.817 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)Nc1cccc(C#N)c1 454206868 SQSDWBWZHNGKQT-HOTGVXAUSA-N 285.391 3.703 30 20 CHED C=C(CC)CN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 453374714 TXQWUZNEXMXTDN-SJORKVTESA-N 287.403 3.724 30 20 CHED CO[C@H](c1ccccc1Cl)[C@@H](C)NCC1(C#N)CCC1 450698043 IZXRFDMMIHIDBJ-DOMZBBRYSA-N 292.810 3.699 30 20 CHED C=CCCOCC(=O)N(CCCC)[C@H](C)c1ccccc1 620327848 FVALEODLKOLEBV-MRXNPFEDSA-N 289.419 3.969 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(C(F)(F)F)cc1 272436207 RRBHKDYQAXOKOY-AWEZNQCLSA-N 298.308 3.764 30 20 CHED C[C@@H](c1ccco1)N(C(=O)c1ccc(C#N)s1)C1CC1 362907165 ZXBGWPKAPCCNMV-JTQLQIEISA-N 286.356 3.579 30 20 CHED CC(C)(C#N)CC(=O)Oc1ccc(Cl)cc1Cl 278357182 XYGKMGONWMZLQS-UHFFFAOYSA-N 272.131 3.839 30 20 CHED C=CCN(C(=O)c1ccn(C(C)C)c1C)C(C)(C)C 622945698 OKGBXRGLNXXOSY-UHFFFAOYSA-N 262.397 3.804 30 20 CHED CCN(CCC#N)C(=O)c1cccc2c1ccn2CC(C)C 278195662 RRIVPRAIGNECEF-UHFFFAOYSA-N 297.402 3.673 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)NCC(C)(C)CC#N 459254856 GDEVZZLHCGLDLP-CQSZACIVSA-N 279.428 3.536 30 20 CHED C=CCCCC(=O)Nc1cc(-c2ncco2)ccc1C 270365206 AMVXQDMJJTUNEF-UHFFFAOYSA-N 270.332 3.945 30 20 CHED CCSc1ccc([C@@H](C)NC(=O)CCCC#N)cc1 360144879 YENFWFNQZRXZCM-GFCCVEGCSA-N 276.405 3.670 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 545876217 YVAPRROLKKOTCT-FVQBIDKESA-N 290.382 3.726 30 20 CHED C=CCC[C@@H](c1ccccc1)N1C(=O)[C@H](C)N(C2CC2)C1=O 277139237 BVWYNAIADUVYBN-BBRMVZONSA-N 298.386 3.509 30 20 CHED Cc1nc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)c(Cl)cc1C#N 461942860 QIYWIFKYGKSYIR-ZBINZKHDSA-N 289.810 3.930 30 20 CHED Cc1ccc(OCCCNc2ccc(F)cc2C#N)cc1 462796178 KGBJGVPFBWNRIS-UHFFFAOYSA-N 284.334 3.887 30 20 CHED CC(C)c1csc(NC(=O)[C@H](C)c2cccc(C#N)c2)n1 461799142 PZGXYRNKHSYORW-LLVKDONJSA-N 299.399 3.880 30 20 CHED C=CCCN(C)C(=O)NCCCCC1CCCC1 466788614 KKVVHWGVQAAFLC-UHFFFAOYSA-N 252.402 3.564 30 20 CHED CC(C)(C#N)CCNc1ccccc1C(=O)N1CCCCC1 288693316 KIXQTVPYYYMTLM-UHFFFAOYSA-N 299.418 3.664 30 20 CHED Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC(C)C)c1 463240949 XXUYZHQQFWAMFI-DOTOQJQBSA-N 286.419 3.954 30 20 CHED C=C1CCN(C(=O)CC(C2CCC2)C2CCC2)CC1 625286564 INQCQOGZHDFNAL-UHFFFAOYSA-N 261.409 3.772 30 20 CHED CCOC1CC(CNc2ccccc2SCCC#N)C1 285107209 IZNQHBFUOCWWKZ-UHFFFAOYSA-N 290.432 3.919 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1ccc(F)cc1Cl 466524249 CTHGXDFZXLNIAH-GFCCVEGCSA-N 299.773 3.719 30 20 CHED C=CCC[C@H](NC[C@@](C)(O)c1ccsc1)c1ccco1 285967139 GYGNDXBXSMGZBA-GOEBONIOSA-N 291.416 3.846 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 466981877 XAONHIPBEXVZDR-RBSFLKMASA-N 264.413 3.563 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 467094119 IJNUWHKAENAUSP-HNNXBMFYSA-N 272.392 3.627 30 20 CHED C=C(C)[C@H](NCCOC1CCC1)c1ccc(F)c(F)c1 554266722 YKUMDRPTBBAJRX-INIZCTEOSA-N 281.346 3.741 30 20 CHED N#Cc1ccccc1NC(=O)C1CC(c2cccc(F)c2)C1 371536296 UJLPDZWDEXFEJG-UHFFFAOYSA-N 294.329 3.830 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC)Cc1c(F)cccc1F 466366353 GNIWNWRWDFDSBR-LBPRGKRZSA-N 296.361 3.851 30 20 CHED CCn1nc(CNc2ccc(CC#N)cc2)c2ccccc21 388354812 KRLIMCGXFATACO-UHFFFAOYSA-N 290.370 3.734 30 20 CHED N#CN(CC#Cc1ccc(Cl)cc1)c1ccccc1 467771470 VETWGDSQJNICRA-UHFFFAOYSA-N 266.731 3.679 30 20 CHED CC(C)[C@@H](C)N(C(=O)[C@@H](C)c1cccc(C#N)c1)C1CC1 463394288 QIEGDMGNNYTIRP-UONOGXRCSA-N 284.403 3.697 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2nc(C)c(C)nc2c1 558474947 KGXHDLXOPSRHSX-UHFFFAOYSA-N 297.402 3.579 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 297778962 LCVNBSWDCVHNDX-GFCCVEGCSA-N 297.185 3.886 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCC1CCCCCC1 802836371 OKXXOYNCTHAXQV-HNNXBMFYSA-N 251.370 3.830 30 20 CHED C=CCCCCNC(=O)c1nc(-c2ccco2)sc1C 471676922 FASLTOYECPEKPR-UHFFFAOYSA-N 290.388 3.798 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2nccc(C)n2)c1 293666377 JCTGIUUHXFLMKI-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](C)Cc1ccc(Cl)cc1 472589468 JHLIXMXCOVYEQR-CJNGLKHVSA-N 281.827 3.530 30 20 CHED C=CCC[C@@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1 472656224 YPRMAUGPVIWGEW-CQSZACIVSA-N 299.336 3.611 30 20 CHED C=CCC(C)(C)c1nc(COc2ccccc2)no1 291915031 NFZMCTVSDYIETF-UHFFFAOYSA-N 258.321 3.502 30 20 CHED CCC1(CC)CCC(NC(=O)N(C)C[C@H](C)C#N)CC1 473875395 IUGIDULDOCURBY-CYBMUJFWSA-N 279.428 3.536 30 20 CHED CCC(CC)(CC)CNC(=O)N1CCC(CCC#N)CC1 563043073 PDLFNMXITILOHA-UHFFFAOYSA-N 293.455 3.928 30 20 CHED C=CCC(C)(C)c1nc(-c2ccncc2CC)no1 292021806 ZVYUMERCNBHVMH-UHFFFAOYSA-N 257.337 3.548 30 20 CHED CCCCCCCC(=O)N1CCCC[C@@H]1c1nc(C)no1 804859128 OBWDQNZBQDZRMF-CQSZACIVSA-N 293.411 3.792 30 20 CHED Cc1ccc(Cl)c2sc(NC(=O)CCCC#N)nc12 291441020 KLKSTJWQBRPROZ-UHFFFAOYSA-N 293.779 3.891 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H]1CCCc2ccccc21 560566439 XZLGSUQBAPGYDI-MRXNPFEDSA-N 272.392 3.672 30 20 CHED C=CCCc1noc(-c2cc(C(C)C)nc3onc(C)c23)n1 297222621 HHNNPUKMRQFKED-UHFFFAOYSA-N 298.346 3.823 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cccc(Cl)c1SC(C)C 806299583 DEBVHWHLSYMLMR-SNVBAGLBSA-N 296.823 3.984 30 20 CHED CC[C@@H](C#N)NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 475668867 CEDWCJUKGKKGPR-PMPSAXMXSA-N 294.439 3.560 30 20 CHED Cc1cccc2[nH]c(=NCc3ccc(C#N)cc3)sc12 479391724 IIRYCUPAMAHIAR-UHFFFAOYSA-N 279.368 3.510 30 20 CHED CN1CCCC[C@H]1CCSc1cccc(F)c1C#N 565241214 SELCZHHZIOZWIS-LBPRGKRZSA-N 278.396 3.664 30 20 CHED Cc1cc(OC(=O)c2sccc2Cl)ccc1C#N 808779464 GKFNTRDNKXVILA-UHFFFAOYSA-N 277.732 3.801 30 20 CHED Cc1nsc(N2CC(C)(C)CC(C)(C)C2)c1C#N 561269564 FHEDSHWQCIUOGW-UHFFFAOYSA-N 263.410 3.586 30 20 CHED C=CCCCCCCNC(=O)c1ccc(N(C)C)cc1F 805220378 ODOSFQYUWMJKIO-UHFFFAOYSA-N 292.398 3.758 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccc(C)cc1O 807991652 QYVDRVXCYYZWLT-UHFFFAOYSA-N 296.374 3.594 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc([N+](=O)[O-])s2)no1 564273818 SMLAWZARHZDWRR-GFCCVEGCSA-N 279.321 3.560 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2c(s1)CCCC2 488849356 FIQABCNTRKZEED-ZDUSSCGKSA-N 275.417 3.808 30 20 CHED C[C@@H]1CCC[C@@H](N2CCC(=NOC3CCC3)CC2)C1 812235796 QKXBQENECLFPCB-UKRRQHHQSA-N 264.413 3.586 30 20 CHED C=C[C@@H]1CCCCN1C(=O)COc1c(C)cc(C)cc1C 488815234 ANJCXWPGNDNGEI-MRXNPFEDSA-N 287.403 3.558 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccccc1OC(C)C 488861340 GRWGNKYGWRLVGE-INIZCTEOSA-N 287.403 3.583 30 20 CHED C[C@H]1CCCC(=NN[C@H](C)COc2ccccc2)C1 811668107 KRNBJFQMMAUTLL-UONOGXRCSA-N 260.381 3.610 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C=C1CCCCC1 819737386 WWCXAAPPJMLURL-CQSZACIVSA-N 282.387 3.968 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C)CC1CC1 486231435 VVMKKDZJFWMPDE-GFCCVEGCSA-N 275.417 3.883 30 20 CHED C#Cc1ccccc1CC(=O)NCC(C)(C)C1CCCC1 810649703 ULSJLBLWGVXGOT-UHFFFAOYSA-N 283.415 3.543 30 20 CHED C=CCCCC(=O)N(CC)c1cccc(C(=O)OCC)c1 481157919 WNZNQFJFGYVTMW-UHFFFAOYSA-N 289.375 3.573 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)C 579533382 TZMVOPIQYMNFCY-ZDUSSCGKSA-N 277.343 3.644 30 20 CHED CCCC(=NNc1nncc2ccccc12)c1ccccn1 814706425 ZYRJVBLIQQOTCW-UHFFFAOYSA-N 291.358 3.641 30 20 CHED CC(C)(C#N)CCCCN1CCOc2ccc(F)cc2C1 489182923 LIPITUYIURZGQM-UHFFFAOYSA-N 290.382 3.740 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CC[C@H](C)CC1 575185306 UYQIBVDJVDBEAW-SZVBFZGTSA-N 298.430 3.844 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNC[C@@H]1CCSC1 811662100 CHNDIISZCBYZFJ-FRRDWIJNSA-N 254.443 3.531 30 20 CHED CC(C)[C@H]1CC(=NNc2ccc(F)cc2F)CS1 814686757 ZDWPXAUHOOGSAW-CYBMUJFWSA-N 270.348 3.894 30 20 CHED COc1cccc(O)c1C=Nc1ccc(F)cc1Cl 812389353 GEFSICSAJRXGCZ-UHFFFAOYSA-N 279.698 3.944 30 20 CHED Cc1ccnc(NN=C2CCOc3c(Cl)cccc32)c1 814868009 SUTQSVINIRMSMG-UHFFFAOYSA-N 287.750 3.642 30 20 CHED CCCCc1ccc(N(C)C(=O)c2cccc(C#N)n2)cc1 813035602 GYBLBUWLTVJAAR-UHFFFAOYSA-N 293.370 3.572 30 20 CHED C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 819634085 XMDKMWCXIQIKFR-IYEDRLCXSA-N 288.778 3.552 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H]1C(C)C 812495912 XRWHGNOPYMFTDQ-OAHLLOKOSA-N 266.429 3.953 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@H](CCO)c1ccccc1 657889709 TVQHKOPJUIZBAV-CEXWTWQISA-N 287.447 3.877 30 20 CHED Fc1ccccc1NC(=S)NN=C1CC[C@H]1C1CCC1 814712946 UFMYJPWMYPGHSZ-NSHDSACASA-N 291.395 3.678 30 20 CHED C=CCOc1ccc(OC(=O)C2(F)CCCCC2)cc1 810599803 NXMYFEHSMRFUJK-UHFFFAOYSA-N 278.323 3.829 30 20 CHED C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=NOC1CCCC1 811647005 TXKIFINHKKHOEG-LBPRGKRZSA-N 296.411 3.579 30 20 CHED CCCOc1ccc(C(C)=NNC[C@H]2CCSC2)cc1 811661420 KWNUFWWNKAXDRA-CQSZACIVSA-N 292.448 3.542 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1ccc(Cl)c(N)c1 814708679 KMDVDAPTRCEKCR-UHFFFAOYSA-N 299.765 3.635 30 20 CHED C=C[C@H]1CCCCN1Cc1ccn(-c2ccccc2F)n1 489421492 CKVIRZUZVQAVIQ-HNNXBMFYSA-N 285.366 3.552 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCC[C@H](C)C2)cc1 570968742 KUESMXGXQLZSHK-JQFCIGGWSA-N 284.403 3.756 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1c(C)n[nH]c1C 728314768 RETCSURATJCUBB-CYBMUJFWSA-N 293.455 3.682 30 20 CHED CC1=CC(=NNc2cnc3ccccc3n2)CCC1 727257443 NREJZGMYWVWOQS-UHFFFAOYSA-N 252.321 3.528 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)cc(F)c1 488927316 CWFKHFBWSGNMER-CQSZACIVSA-N 262.328 3.707 30 20 CHED C=CCCCCNC(C)(C)c1nc(C)c(C)s1 578484518 ZTXSKHBMLLQAIL-UHFFFAOYSA-N 252.427 3.941 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 574034830 VSPJGCIENHHFLM-GHMZBOCLSA-N 288.416 3.873 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@]1(C)CC1(Cl)Cl 827106471 SLBIEAXVLUKVEW-CYBMUJFWSA-N 297.185 3.779 30 20 CHED Cc1cccc(F)c1CNC(=O)CC1(C#N)CCCCC1 828899383 LFJDDNCZSJTLBX-UHFFFAOYSA-N 288.366 3.615 30 20 CHED CCC[C@@H](CC)C(=O)Nc1ccccc1O[C@H](C)C#N 821797253 ONZPVWUIIPODEH-CHWSQXEVSA-N 274.364 3.742 30 20 CHED N#CCCCCCC(=O)N1CC[C@@H]1c1cccc(F)c1 588624042 IINLCBKDXNKEOJ-OAHLLOKOSA-N 274.339 3.573 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)C[C@H](O)c1ccco1 824057270 DGGKTQHIKFKXFR-KKUMJFAQSA-N 265.397 3.816 30 20 CHED COc1cc(/C=C\C(=O)c2cccs2)ccc1C 588599190 MOAJJNUBBYMPMC-FPLPWBNLSA-N 258.342 3.961 30 20 CHED CC1(C)CN(C(=O)C#Cc2cccs2)[C@H]1c1ccccc1 825393617 ILLBUGKAUPRGGE-KRWDZBQOSA-N 295.407 3.709 30 20 CHED CC(=NNc1cccnn1)c1cccc(-c2ccccc2)c1 735973502 MHDWOOICVLMSOV-UHFFFAOYSA-N 288.354 3.980 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1C(=O)CCCCCC#N 588653218 JVRICSAVGVTTLH-CYBMUJFWSA-N 288.366 3.745 30 20 CHED C[C@@H](CC(C)(C)C)OC(=O)c1ccccc1OCC#N 835702560 DXPIRESFKJZHQG-LBPRGKRZSA-N 275.348 3.570 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1ccccc1OC(F)F 834995846 LXAONULTFNGUAQ-QMMMGPOBSA-N 296.239 3.552 30 20 CHED CSc1ccccc1[C@H](C)NC(=O)C#CC(C)(C)C 837600549 QPVRPCGYHKEODU-LBPRGKRZSA-N 275.417 3.635 30 20 CHED CCC(CC)(CNc1nc(C(C)(C)C)ccc1C#N)OC 589879778 HJPXYINTCZZBOA-UHFFFAOYSA-N 289.423 3.868 30 20 CHED CCCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 839488474 YSIXGTXBHUDBNI-XOKHGSTOSA-N 284.403 3.747 30 20 CHED CCCCCCCCC(=O)NCc1cc(OC)ccc1O 734016659 XLUNLEIGAIQTPJ-UHFFFAOYSA-N 293.407 3.768 30 20 CHED CC(C)Cc1ncc(CN2CCCC(C)(C)[C@H]2C#N)s1 584092996 OEJGLHHLVPHMLK-CQSZACIVSA-N 291.464 3.856 30 20 CHED Cc1cccc(/C=C2/Cc3c(O)cccc3C2=O)c1C 731156849 NUCPGIPVXKHMTB-ZROIWOOFSA-N 264.324 3.831 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C1(C#N)CCC1 736005706 HTSWANCYZGRLIB-CQSZACIVSA-N 264.413 3.793 30 20 CHED COc1ccc(C)cc1COC(=O)[C@]1(C#N)CC12CCCC2 837908816 MJNFSQJOXKOLKY-GOSISDBHSA-N 299.370 3.521 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@H]1C[C@@H]1C1CC1 839437884 UBPSMENZLQGOAC-CVEARBPZSA-N 276.339 3.696 30 20 CHED CCCCCCCC(=O)NC[C@@H]1OCCc2ccccc21 733118246 SOXVZDUAZURUON-KRWDZBQOSA-N 289.419 3.777 30 20 CHED C#C[C@@H](Cc1ccccc1)OC(=O)[C@H](CC)CC(F)(F)F 835240586 KDDYWTNWTCICLN-KGLIPLIRSA-N 298.304 3.753 30 20 CHED C[C@H](CNC(=O)C#CC1CC1)c1c(Cl)cccc1Cl 837384434 KLYXVASICKIMBM-SNVBAGLBSA-N 296.197 3.627 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@H](c3ccccc3)C[C@@H]2C)n1 583773929 RSVHQMFAHUBLAX-DOTOQJQBSA-N 291.398 3.953 30 20 CHED C=CCCCOC(=O)c1occc1COc1ccccc1 735526133 VSLDILXGRIYFKW-UHFFFAOYSA-N 286.327 3.982 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ncccc2Cl)o1 917546478 NVMIVWGNMAKHAF-GXSJLCMTSA-N 275.739 3.897 30 20 CHED C=C(C)CN(CC)c1nc2cc(C)nn2c2ccccc12 733187789 WIIVAUIAMUWWBB-UHFFFAOYSA-N 280.375 3.593 30 20 CHED Cc1cccc(C)c1C(=O)O[C@H]1CCC[C@H](C#N)C1 839451601 ZFESVQKPEVRIHN-KBPBESRZSA-N 257.333 3.543 30 20 CHED CC(C)Oc1ccc(C/N=C/c2cccc(O)c2O)cc1 914557078 AELBXFYXYZFPMB-WOJGMQOQSA-N 285.343 3.504 30 20 CHED CC(C)(C(=O)OCc1ccc(F)c(C#N)c1)C1CCC1 838157908 PRHOAHJBHNYZHP-UHFFFAOYSA-N 275.323 3.567 30 20 CHED COc1ccc2ccccc2c1C=NN[C@@H](C)C(F)(F)F 834996017 DUMMFSPYYAWRBC-JTQLQIEISA-N 296.292 3.723 30 20 CHED C=CCN(C(=O)c1cc2ccc(OC)cc2nc1C)C(C)C 837394987 KABBUTGOBWOEEN-UHFFFAOYSA-N 298.386 3.588 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 835035257 FFWSUBRIXKTRAE-AGIUHOORSA-N 281.359 3.565 30 20 CHED Fc1ccccc1NN=Cc1nccc2ccccc12 740760979 SNNXWFALCMVCJP-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CCC[C@@H](C(=O)N[C@H](C#N)CC)c1cccc(Cl)c1 599237299 JIGLVMQOYGFASF-UONOGXRCSA-N 278.783 3.642 30 20 CHED C=CCCSCCNC(=O)c1ccc(C)cc1Cl 597967470 YDIPZACIFHJFHY-UHFFFAOYSA-N 283.824 3.688 30 20 CHED CCc1ccccc1NN=C(C)c1ccccc1O 915051730 PAJVPNKWBHVTNY-UHFFFAOYSA-N 254.333 3.791 30 20 CHED C[C@@H]1CC(OC(=O)c2cccc(C#N)c2)C[C@@H](C)C1 744214053 JOIYSUWUNMMIQX-RYUDHWBXSA-N 257.333 3.540 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@](C)(C#N)CC(C)C)cc1C 597043664 VZJBPQJXIHLZCC-YQVWRLOYSA-N 298.430 3.852 30 20 CHED Cc1ccc(-c2cccnc2)cc1NC[C@H](C#N)CCC#N 591777196 VNTZGSLGTGCVNI-HNNXBMFYSA-N 290.370 3.912 30 20 CHED CCC(=NNc1cc([N+](=O)[O-])ccc1C)C1CCOCC1 745194971 GGXZFUNJQSWBSU-UHFFFAOYSA-N 291.351 3.508 30 20 CHED Cc1nc(COc2nc3c(cc2C#N)CCCCC3)cs1 918667136 XIJGIXZSBXADMO-UHFFFAOYSA-N 299.399 3.566 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(N=S(C)(C)=O)c1 848213189 SERMNPUKXWYISC-UHFFFAOYSA-N 294.420 3.587 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C#N)cn1 593941370 LFLBEFCBEHVTHB-UHFFFAOYSA-N 293.414 3.883 30 20 CHED CCCCCCCCCC(=O)Nc1cc(C)ncn1 741955846 DVKDZRADXRNOIA-UHFFFAOYSA-N 263.385 3.864 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](OC(C)C)C1 843613287 HVPLRLFBBOVRMV-OAHLLOKOSA-N 269.429 3.763 30 20 CHED C=CCCC(=O)OCC1CCN(c2ccccc2F)CC1 842454805 DWMNPJYZUUUVQU-UHFFFAOYSA-N 291.366 3.552 30 20 CHED CC(C)c1ccc(CNC(=O)N2CCC[C@H](CC#N)C2)cc1 595471607 CAJFZQXQSZDEDJ-MRXNPFEDSA-N 299.418 3.645 30 20 CHED CCCc1ccc(CCCC(=O)N(CC)CCC#N)cc1 592754042 KXDUMZGIKDEVMF-UHFFFAOYSA-N 286.419 3.724 30 20 CHED Cc1ccc2c(C(=O)N3CCC[C@@H](CC#N)C3)csc2c1 597905031 WLLLWJXUUXACMD-ZDUSSCGKSA-N 298.411 3.976 30 20 CHED CC(C)C1CCC(NC(=O)N2CCC[C@@H](CC#N)C2)CC1 595561007 YKNHPSQXADIYDV-FHERZECASA-N 291.439 3.536 30 20 CHED FC(F)Oc1ccc(NN=Cc2ccc(Cl)nc2)cc1 748787616 BPXXDWACHNMHII-UHFFFAOYSA-N 297.692 3.782 30 20 CHED Clc1ccccc1NN=Cc1c[nH]c2ncccc12 741757024 MCLXBQGOBWOGFI-UHFFFAOYSA-N 270.723 3.662 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 749592876 ZQNURKFIVCKGHS-SOFGYWHQSA-N 283.283 3.505 30 20 CHED CC#CCCCC(=O)OCc1cccc(OC)c1Cl 849758540 VZIXXJFIJQKJMP-UHFFFAOYSA-N 280.751 3.585 30 20 CHED Cc1cc(C#N)ccc1CSC[C@@H]1C[C@H]2CC[C@H]1O2 591402496 PTOOIFGXESAXIX-ARFHVFGLSA-N 273.401 3.667 30 20 CHED COCCON=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 749861046 AHCBAXXIZWQABF-DZGCQCFKSA-N 261.365 3.609 30 20 CHED C=CCC(CC=C)C(=O)O[C@H]1C[C@H](C)C(=O)C(C)(C)C1 847936280 KKPFVOHVGPAUOS-JSGCOSHPSA-N 278.392 3.692 30 20 CHED N#CCCN(Cc1ccco1)Cc1ccc(F)c(F)c1F 596977629 MKTVLCOZJRLVDG-UHFFFAOYSA-N 294.276 3.613 30 20 CHED C#CCN(CC)C(=O)c1cc(C)n(C2CCCCC2)c1C 919877195 HZEZLIZHKGYHPX-UHFFFAOYSA-N 286.419 3.705 30 20 CHED Cc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](CC#N)C2)c1C 596312780 XJPPEZSJGRDTSS-CVEARBPZSA-N 299.418 3.700 30 20 CHED COc1cccc2c1CN(CCC1(C#N)CCCCC1)C2 599642545 IKGWZEIEFCVHNM-UHFFFAOYSA-N 284.403 3.875 30 20 CHED CC(C)(CC#N)CNc1cnc2cc(Cl)ccc2n1 599086943 CPUZNUAOQKPDJK-UHFFFAOYSA-N 274.755 3.635 30 20 CHED C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)cc1 595081946 UTXRPPOIWCIJSV-CRAIPNDOSA-N 297.446 3.616 30 20 CHED C#CC[C@@H](NC(=O)N1CC(C)(C)C[C@H]1C)c1ccccc1 840331810 FAWBJXKUEQAUAJ-GDBMZVCRSA-N 284.403 3.581 30 20 CHED Cc1cc(NC(=O)/C=C2/CC[C@H](C)C2)c(C#N)cc1N(C)C 841240314 PWRVFLBOLKPOPL-CJAAZZPWSA-N 297.402 3.618 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)c(O)c1 840716340 KOMFDEBPYWUSLZ-VURMDHGXSA-N 296.370 3.684 30 20 CHED COc1cccc(F)c1C(C)=NNc1ccccc1F 741807270 YBVYILJGTYBPAO-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C=CCC[C@H](N[C@@H](C)c1cc(CO)on1)c1ccccc1 925579979 PELUPLVSERXDOB-BBRMVZONSA-N 286.375 3.525 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccc(OC)cc1)C1CC1 929408179 MAGPJXDURNUFQY-AWEZNQCLSA-N 287.403 3.789 30 20 CHED CCn1cc(C(=O)/C=C/c2c(C)cc(C)cc2C)cn1 920991482 KJDWPHMHBIGLQJ-VOTSOKGWSA-N 268.360 3.724 30 20 CHED C=C(Br)CN(C)Cc1cccc(OC(C)C)c1 756642532 MEOKCPIYBSVCQY-UHFFFAOYSA-N 298.224 3.814 30 20 CHED C1CC(=C2CCC(=NNC[C@H]3CCSC3)CC2)C1 853346468 CGEHOKJKUIWAEV-GFCCVEGCSA-N 264.438 3.740 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cccc(Cl)c2F)c1 759646884 PSGSDPQGKPSKJU-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C#Cc1cccc(NC(=O)NCC[C@H](C)c2ccccc2)c1 750301724 KIRRKGXRMGHZGN-HNNXBMFYSA-N 292.382 3.983 30 20 CHED C/C(=C/C(=O)OCC1(C#N)CCCC1)c1cccs1 857015610 DATDZAHGIJQOIO-XFXZXTDPSA-N 275.373 3.779 30 20 CHED C#CCCN(CCc1ccccc1)Cc1ccccc1 920415781 LVRWMRWJJMXOHH-UHFFFAOYSA-N 263.384 3.755 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H](C#N)C2)c(Cl)c1Cl 928218197 YRPJFWHJLOIRJT-JTQLQIEISA-N 297.185 3.678 30 20 CHED C#CCCNc1cc(OC)c(Br)cc1Cl 853063654 JLYGWBXUCNAUAU-UHFFFAOYSA-N 288.572 3.546 30 20 CHED C=C(Cl)COC(=O)c1ccccc1NC(=O)CC(C)C 928988227 KZXJTKYDGRNDJY-UHFFFAOYSA-N 295.766 3.581 30 20 CHED C=CCCCN[C@@H](C)c1cnn(-c2ccccc2)c1C 754689354 PHBZZXSADSGOOW-AWEZNQCLSA-N 269.392 3.798 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)OCc1cccc(C#N)c1 920731608 RLJYDEQWCKADNY-CJNGLKHVSA-N 271.360 3.818 30 20 CHED Cc1ccnc(NN=C2C[C@H](OCC(C)C)C2(C)C)c1 755905494 ISYDDJARWNRFCH-AWEZNQCLSA-N 275.396 3.629 30 20 CHED Cc1ccc(-c2nnc([C@H](C)ON=C3CCC3)o2)cc1C 758411937 CIGMUYDAOKZUQP-LBPRGKRZSA-N 285.347 3.971 30 20 CHED CCCCCCCCCCC(=O)N1C[C@H](C)[C@](C)(CO)C1 856246632 HEYYVUKQEMHGLN-WMZOPIPTSA-N 297.483 3.994 30 20 CHED CC(C)Oc1cccc(C=NNc2ncccc2Cl)c1 921258330 QNJBUIAOUQGXQV-UHFFFAOYSA-N 289.766 3.968 30 20 CHED C=CCc1cc(CN(CCCC)C2CC2)c(O)c(OC)c1 754725991 KIMWHKCYOXBENW-UHFFFAOYSA-N 289.419 3.894 30 20 CHED CCC(CC)[C@@H]1C[C@@H](N[C@H](C)CC(C)(C)C#N)CCO1 926110031 PCJFHLNRGQMPQQ-KBMXLJTQSA-N 280.456 3.888 30 20 CHED N#Cc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1F 756272208 YLSPXXNAIOIXIL-FNORWQNLSA-N 296.257 3.502 30 20 CHED CCCCCCCc1nc(Cc2cnccc2C)no1 854098006 AKMMHGRRAXKHEY-UHFFFAOYSA-N 273.380 3.877 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C1 855257079 XCBOPVYUHHVDRN-CGTJXYLNSA-N 296.414 3.723 30 20 CHED C=C[C@@H](OC(=O)c1cnn(C(C)C)c1)c1ccccc1 851451198 FFNSQAHBZKGMRO-OAHLLOKOSA-N 270.332 3.548 30 20 CHED C=C(Cl)Cn1nc(C(F)(F)F)c(Cl)c1C 853701479 KHEDNELIUIACQS-UHFFFAOYSA-N 259.058 3.616 30 20 CHED N#CCCCn1cc(C(=O)OCCC2CC2)c2ccccc21 769542732 BABPLXXWVLVMJZ-UHFFFAOYSA-N 296.370 3.902 30 20 CHED Cc1cc(C)c(C=NNc2nc3ccccc3s2)[nH]1 760219925 ZHJRNUWBWXBAGG-UHFFFAOYSA-N 270.361 3.687 30 20 CHED C/C(=C\C1CCC(C)CC1)C(=O)N1CCC(CC#N)CC1 867312228 AIRORISAGSCFDQ-FYWRMAATSA-N 288.435 3.911 30 20 CHED N#CC1(OC(=O)c2ccc3sccc3c2)CCC1 762093670 BSJLPNFCMFEIQQ-UHFFFAOYSA-N 257.314 3.504 30 20 CHED C[C@H](Oc1ccccc1)C(=O)OCCCCC(C)(C)C#N 768363772 RSXHVKDZKJKQOB-AWEZNQCLSA-N 289.375 3.717 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@H]1CCCC(F)(F)C1 935830721 XTDYAQPDLTYGRK-RYUDHWBXSA-N 259.340 3.530 30 20 CHED CC(C)O[C@@H]1CC(=NNc2ccc(F)cc2F)C1(C)C 764890905 GCNWWWUNUFVMRK-CQSZACIVSA-N 282.334 3.956 30 20 CHED C#CC[C@H](CCOC)N[C@H]1CC[C@](C)(c2ccccc2)C1 862549271 YLRBEZSERHBZPD-QYZOEREBSA-N 285.431 3.515 30 20 CHED Cc1cc(OC(=O)c2cc(Cl)cs2)ccc1C#N 765096343 WFSODGWFDGLAFD-UHFFFAOYSA-N 277.732 3.801 30 20 CHED C[C@H](NN=Cc1cccc(-n2cccn2)c1)c1ccccc1 760254184 SMZOMDCCKURGAA-HNNXBMFYSA-N 290.370 3.557 30 20 CHED C[C@H](OC(=O)c1c(F)cccc1F)c1cccc(C#N)c1 764604483 GKBJYMBQWNBNAN-JTQLQIEISA-N 287.265 3.754 30 20 CHED C#CCCc1noc(-c2sc(-c3ccccc3)nc2C)n1 762009542 SOXRAYKZNAXVJV-UHFFFAOYSA-N 295.367 3.734 30 20 CHED Cc1c(/C=C/C(=O)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] 871657631 CFMITRDHXIXYCY-BQYQJAHWSA-N 299.330 3.577 30 20 CHED C=CCC[C@H](C(=O)OCCOC1CCC1)c1ccccc1 778663861 AYOJDWFBVISHJE-KRWDZBQOSA-N 288.387 3.849 30 20 CHED C=C(C)[C@H](NCc1ocnc1C)c1ccc(F)c(F)c1 1119605495 UDMPNGJOWYLKDW-HNNXBMFYSA-N 278.302 3.668 30 20 CHED C[C@@H](C#N)CNN=Cc1ccc(N(C)c2ccccc2)cc1 771100076 ROWDZLDYLQJESO-HNNXBMFYSA-N 292.386 3.538 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(O)ccc1F 872067658 RJGGWDLUCXLMCH-ADLMAVQZSA-N 296.345 3.741 30 20 CHED COc1ccc(NC[C@H](C)CCC#N)cc1SC 877584798 ZAUAXGQQGVLUSE-LLVKDONJSA-N 264.394 3.769 30 20 CHED C[C@@H](C(=O)OCCCCC#N)c1cn(C)c2ccccc12 772852277 KCPPOLXDVKTSMW-CYBMUJFWSA-N 284.359 3.519 30 20 CHED COc1ccc(C(C)=NNc2ccc3[nH]ncc3c2)cc1F 779815849 FGPQNBXHYKUONZ-UHFFFAOYSA-N 298.321 3.547 30 20 CHED C=C(Cl)CN[C@H](c1ccccc1)c1nccs1 775632337 LZJGFJJWFQASEC-GFCCVEGCSA-N 264.781 3.575 30 20 CHED C=C(C)CCN(c1ccc(N2CCOCC2)cc1)C(C)C 775624746 HUJFXTHSZDVJAL-UHFFFAOYSA-N 288.435 3.704 30 20 CHED CCc1noc(C)c1C(C)=NN[C@H]1CCCCC1(C)C 773126509 TZKKYMDXBLGENK-AWEZNQCLSA-N 277.412 3.828 30 20 CHED C[C@H](OC(=O)CCCC(F)(F)F)c1cccc(C#N)c1 771290215 SRRYSZZPPQEZGE-JTQLQIEISA-N 285.265 3.895 30 20 CHED CC(CCCC(F)(F)F)=NNc1cncc(Cl)n1 774364706 VKYFXJXJQNJMIR-UHFFFAOYSA-N 280.681 3.650 30 20 CHED CC(=NNC[C@@H](C)C#N)c1cc2cc(Cl)ccc2o1 771111612 IYFNPRXCBPOXJV-VIFPVBQESA-N 275.739 3.559 30 20 CHED CC/C(C)=C(\C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 779971770 YJOSUVZFINTQDP-YLSINNKHSA-N 257.333 3.909 30 20 CHED C=C1CCC(C(=O)N[C@@](C)(C#N)CCc2ccccc2)CC1 889530935 HAIXUKWWJBTKNR-LJQANCHMSA-N 296.414 3.764 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1nccnc1Cl 779777108 RIUHHBRWGZOYAS-SNVBAGLBSA-N 268.792 3.990 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)ncc2C)n1 1120367899 DKGGJDZSBYWXPM-UHFFFAOYSA-N 263.728 3.602 30 20 CHED CCc1oc2ccccc2c1C=NNc1cccc(OC)n1 779821027 RTFFXXXIEBTBHL-UHFFFAOYSA-N 295.342 3.845 30 20 CHED CC(C)(C)C1CCC(=NOC2CCOCC2)CC1 774429168 AGENXTLLOWPUHO-UHFFFAOYSA-N 253.386 3.774 30 20 CHED C#CCCCCCC(=O)NCc1ccc(F)c(Cl)c1 779895851 HAAYGEBSQXLMCI-UHFFFAOYSA-N 281.758 3.679 30 20 CHED CCCSCC(C)=NNc1ccc(C(C)(C)C)nn1 1120245183 HHIGRXFNFINYOU-UHFFFAOYSA-N 280.441 3.705 30 20 CHED Cc1nc2c(s1)C(=NNCCC(C)(C)C)CCC2 782907620 KYPKNEJZSZOISD-UHFFFAOYSA-N 265.426 3.518 30 20 CHED Cc1cc(COC(=O)[C@@H](F)c2ccccc2)ccc1C#N 784752796 BQFNYNDPIDQHSI-INIZCTEOSA-N 283.302 3.621 30 20 CHED CCC[C@@H]1CCCCN1C(=O)Nc1cc(C#N)ccc1F 888364849 QXIXVSBLLOQKOD-CYBMUJFWSA-N 289.354 3.884 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C12CCC(CC1)CC2 1121181481 NHBBYUHRBVDXPB-VNSJNIRKSA-N 298.386 3.886 30 20 CHED CC#CC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 788289071 TVNAOHZHMLYLJM-UHFFFAOYSA-N 288.366 3.556 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)C1CCCC1 780148335 KILFJFHMUMYVHG-STQMWFEESA-N 286.375 3.742 30 20 CHED CCC(C#N)(CC)C(=O)OCc1nsc2ccccc12 884598332 YLORFZZCXDOUEK-UHFFFAOYSA-N 288.372 3.669 30 20 CHED Clc1ccc2c(c1)C(=NNCCc1ccncc1)CCC2 789098350 VLYQOOWQKGYPEX-UHFFFAOYSA-N 299.805 3.608 30 20 CHED CC(C)N(CC1CC1)C(=O)N[C@H](CCC#N)c1ccccc1 893780080 ZBVYMKBZPPJYTJ-QGZVFWFLSA-N 299.418 3.861 30 20 CHED COc1ccc(C=NNc2ccc(Cl)c(OC)c2)s1 788468323 SECOODDHZDBKGH-UHFFFAOYSA-N 296.779 3.865 30 20 CHED C=C(CC)C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 1123803796 RWBGTEPISWAUNX-UHFFFAOYSA-N 298.386 3.808 30 20 CHED C=C1CC(c2noc(Cc3c[nH]c4ccc(OC)cc34)n2)C1 896885461 RBAABXSJTAOBRT-UHFFFAOYSA-N 295.342 3.584 30 20 CHED CCCCCCCC[C@@H](N)c1nc(C2CC2)no1 899998753 ULIJCUHPFXMYPZ-GFCCVEGCSA-N 251.374 3.697 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CCCCS1)c1ccc2ccccc2n1 783340958 LLCOOPNFPUXRHQ-CJNGLKHVSA-N 296.395 3.697 30 20 CHED C=C1CC(c2noc(CN(CC)c3ccccc3)n2)C1 896881584 LJLYBXSGJFRWEA-UHFFFAOYSA-N 269.348 3.530 30 20 CHED COc1ccc2c(c1)CC[C@@H](Nc1ccc(C#N)cc1F)C2 784176175 YSFALZIFWFEJDK-OAHLLOKOSA-N 296.345 3.675 30 20 CHED C=CCNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 43436170 COMQILQAWIKHCT-UHFFFAOYSA-N 264.328 3.565 30 20 CHED N#Cc1cnc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 896484161 AJYQFLFPZFQREM-GRYCIOLGSA-N 289.404 3.560 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 789832917 DVXHXTAUCKVXTR-ZETCQYMHSA-N 290.672 3.502 30 20 CHED O=C1/C(=C/c2cnc(C3CCC3)s2)Cc2cc(O)ccc21 780189189 XDPXAPZQLLQNSQ-XYOKQWHBSA-N 297.379 3.939 30 20 CHED CCC#CCOC(=O)CCc1nc(C)c(-c2ccccc2)o1 893839607 SFPZUKXVMXSIMF-UHFFFAOYSA-N 297.354 3.539 30 20 CHED COc1cc(CNC[C@@H](C)c2cccc(F)c2)ccc1C#N 799335014 KWVCAOZFTYWXOX-CYBMUJFWSA-N 298.361 3.599 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NOCCC(F)(F)F 794859341 RNDDVDBGPCLSAU-UHFFFAOYSA-N 296.292 3.958 30 20 CHED CCN(C[C@@H](C)C#N)c1ccc(C(F)(F)F)c(Cl)n1 892840525 PRWOCHADWSJWEY-QMMMGPOBSA-N 291.704 3.740 30 20 CHED C=CCN(C(=O)c1ccc2nccc(C)c2c1)C(C)C 796137575 JYVVHDYWHSBJCV-UHFFFAOYSA-N 268.360 3.580 30 20 CHED N#CC[C@H](CC(=O)Oc1ccccc1)c1ccccc1 792866233 ZTBWZTXUBOARGN-OAHLLOKOSA-N 265.312 3.680 30 20 CHED CC(C)[C@@H]1CCCC(=NN[C@H]2CCOC(C)(C)C2)C1 794535258 HVTWSJDGNVRCOO-HIFRSBDPSA-N 266.429 3.736 30 20 CHED CCC(=NNc1ccc(OC)cn1)c1cccc(C)c1 794933372 TZPDHILWNWGORK-UHFFFAOYSA-N 269.348 3.625 30 20 CHED O=C(/C=C\c1ccnn1-c1ccc(F)cc1)c1cccs1 794926783 ODOXDEGEEFMWCI-FPLPWBNLSA-N 298.342 3.969 30 20 CHED C=CCC(C)(C)C(=O)Nc1cncc(Br)c1C 888900560 BAEGNIPODUIRJI-UHFFFAOYSA-N 297.196 3.693 30 20 CHED Cc1cccc(C(=O)/C=C/c2c(F)ccc(O)c2F)c1 794933624 KBBALRDKBVRTHG-FNORWQNLSA-N 274.266 3.875 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)c(C#N)c1 799339411 OJZLQWADZCMAQE-CXAGYDPISA-N 284.403 3.908 30 20 CHED Cc1c(C(=O)OCC(F)(F)F)sc2ccc(C#N)cc12 796613522 AVHWYFICYLPXMH-UHFFFAOYSA-N 299.273 3.801 30 20 CHED Fc1ccc2oc(C=NNc3cccc(F)n3)cc2c1 795007677 LQOJSUOUEGGRLW-UHFFFAOYSA-N 273.242 3.552 30 20 CHED C#CCN(C)C(=O)c1sc2cccc(Cl)c2c1Cl 790964213 TXFFQUMOYYEKDV-UHFFFAOYSA-N 298.194 3.913 30 20 CHED C#CCCCN[C@@H](C)c1cc(C)c(OC)c(Cl)c1 796777532 QZXMJFYYCGPNMW-LBPRGKRZSA-N 265.784 3.721 30 20 CHED C[C@@H](NN=Cc1cnc(-c2ccco2)s1)C(C)(C)C 793114039 IZJSNJQXKGKZPW-SNVBAGLBSA-N 277.393 3.761 30 20 CHED Cc1ccnc(N[C@H]2C[C@H]2C2CCCCC2)c1C#N 1185555711 WQQLPMPXIRFMHB-ZFWWWQNUSA-N 255.365 3.642 30 20 CHED CC(C)CN(CCC#N)CC(C)(C)Oc1ccccc1 1308650586 NPDFARXGBMCTIH-UHFFFAOYSA-N 274.408 3.716 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](N)[C@H](CC)C1 134122964 JOEHLQOEUXGADY-CVEARBPZSA-N 282.472 3.713 30 20 CHED C=C(Br)CN1CCCC[C@H]1CC(C)C 1167896822 BMGPKDSZIWQDLC-LBPRGKRZSA-N 260.219 3.796 30 20 CHED CC[C@@H](O)CN(CCCC(C)(C)C#N)Cc1ccccc1 134477129 OUSFTQQEWNTWJW-QGZVFWFLSA-N 288.435 3.589 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)Nc1cccc(C#N)c1 1308656292 KQUNZWBCCCBHEK-DYVFJYSZSA-N 266.344 3.746 30 20 CHED N#CCCSc1nccn1-c1cccc(Cl)c1 57551116 LKRMFCVEWHAXFJ-UHFFFAOYSA-N 263.753 3.531 30 20 CHED COc1ccc(Cl)cc1NCc1cccc(C#N)c1 19914093 SHSQVBWRZWVXIK-UHFFFAOYSA-N 272.735 3.832 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 1319316122 PPSRDIHDWFOJPA-FGTMMUONSA-N 281.399 3.513 30 20 CHED N#CCN(Cc1coc2ccccc12)C1CCCC1 93563173 RJNMOFOVWQUGSM-UHFFFAOYSA-N 254.333 3.701 30 20 CHED Cc1cn(CC(=O)OCCCC(C)(C)C#N)c2ccccc12 1326591633 BSZHOQAVBOTGDD-UHFFFAOYSA-N 298.386 3.823 30 20 CHED C=CCn1cnnc1S[C@H](C)c1c(F)cccc1F 1323391064 XCGRVGIJJXPWFZ-SECBINFHSA-N 281.331 3.596 30 20 CHED CC[C@H](C)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 409445846 CAECVTFUBCFEIP-BHYGNILZSA-N 256.393 3.804 30 20 CHED C=CCSCCN[C@@H](c1ccc(C)cc1)C1CC1 223156765 QRGNQNIOVHSXHN-INIZCTEOSA-N 261.434 3.955 30 20 CHED CCCCCCCC(=O)Nc1cccc(OCC#N)c1 59223624 ZRRXCTZVYOUVKD-UHFFFAOYSA-N 274.364 3.888 30 20 CHED C=CCCCCN1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1330589824 IVFSQVJNQZFFSU-GOSISDBHSA-N 298.430 3.791 30 20 CHED COc1ccc(F)cc1[C@@H](C)NCc1cc(C#N)cs1 93492393 KNGRGTPWPVWXJV-SNVBAGLBSA-N 290.363 3.618 30 20 CHED N#Cc1ccccc1N(C(=O)C1[C@@H]2CCCC[C@@H]12)C1CCC1 1338041796 FZQOPNMSQFDYFV-HZPDHXFCSA-N 294.398 3.880 30 20 CHED Cc1cccc(C[C@H](C)NCc2cccc(OCC#N)c2)c1 1335522565 QHUYWPAZQADJBC-INIZCTEOSA-N 294.398 3.618 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)c2cnc(C)s2)n1 1262703453 JVGPUJIHFZWZTC-JTQLQIEISA-N 272.377 3.508 30 20 CHED N#CCc1ccc(CSCc2nccn2C(F)F)cc1 1345483867 MGWXDPVECMJZQG-UHFFFAOYSA-N 293.342 3.778 30 20 CHED C=CCn1c([C@H]2CC=CCC2)nnc1N1CC[C@@H](C2CC2)C1 1352041095 NQULXTQEVCAHFD-JKSUJKDBSA-N 298.434 3.524 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@@H]1C1CCCCC1 1459309613 DVGZUFOURLEODO-GOSISDBHSA-N 298.430 3.982 30 20 CHED N#Cc1ccc(F)c(NC(=O)C[C@H]2CCc3ccccc32)c1 1525019104 QBNMLZOFXDXXTA-CQSZACIVSA-N 294.329 3.756 30 20 CHED N#Cc1ccc(S[C@@H](C(=O)O)c2ccsc2)c(F)c1 1601113699 RZKAQQHHFFRREX-GFCCVEGCSA-N 293.344 3.677 30 20 CHED Cc1ccc2oc(CNc3snc(C)c3C#N)cc2c1 1612616064 UEPZGJVEJHOLPD-UHFFFAOYSA-N 283.356 3.990 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2cc(F)cc(C#N)c2)C1(C)C 1474666190 ISTOYWJUGSBOHR-CABCVRRESA-N 276.355 3.701 30 20 CHED Cc1sccc1NC(=O)[C@H](CC#N)c1ccccc1 1544229309 RQOYLOLVRQFUSA-CYBMUJFWSA-N 270.357 3.693 30 20 CHED CCCc1ccc(NC(=O)c2ccccc2CC#N)cc1 1618175975 SDAFQXNSSZQRKK-UHFFFAOYSA-N 278.355 3.957 30 20 CHED CC[C@@H](Nc1cccc(C#N)n1)c1cc(F)ccc1OC 1612939470 FOLAVTXXVQOMOG-CQSZACIVSA-N 285.322 3.664 30 20 CHED C[C@@H](Cc1cccs1)N(C)C[C@H](C)CCC#N 1621149344 JOKAZRSAXAOOLS-OLZOCXBDSA-N 250.411 3.551 30 20 CHED CCC1(CNc2ncc(Cl)c(C)c2C#N)CCC1 1642376528 ACFXDXKLONEYGN-UHFFFAOYSA-N 263.772 3.907 30 20 CHED C=C(Cl)CN([C@@H](C)COC)[C@@H]1CCc2ccccc21 1644046623 NHPLROUEKSAIEG-XJKSGUPXSA-N 279.811 3.763 30 20 CHED C=C(CNc1ncnc2cccc(OC)c12)c1ccccc1 1651124258 XVBUXRXLPKFAPR-UHFFFAOYSA-N 291.354 3.764 30 20 CHED C[C@H]1CC[C@@H](NCC(C)(C)CC#N)CN1Cc1ccccc1 1652638279 DAOHZRSMDDWZMQ-FUHWJXTLSA-N 299.462 3.569 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCC(F)(F)F 1650681852 YEUYMZCIRTZOGT-UHFFFAOYSA-N 285.656 3.734 30 20 CHED CCCN(CCN1CCCCC1)Cc1ccc(C#N)cc1C 1653571181 AKPGVUUTSWNVJO-UHFFFAOYSA-N 299.462 3.565 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc2ccccc2n1CCC(C)C 1587354033 HIUPYJXHVKCKOJ-CYBMUJFWSA-N 298.390 3.571 30 20 CHED C[C@@H]1CN(C(=O)[C@H](CC#N)c2ccccc2)c2ccccc21 1584292343 XNULLNYFMREXPK-RHSMWYFYSA-N 290.366 3.834 30 20 CHED C[C@@H](C(=O)O)c1cccc(Nc2cc(F)ccc2C#N)c1 1589540390 WYBMTVJKWPQLEN-SNVBAGLBSA-N 284.290 3.629 30 20 CHED Cc1cc(CN2CC[C@@H](Cc3ccccc3)C2)ccc1C#N 1651861009 ROQJLSKVTDZQRG-IBGZPJMESA-N 290.410 3.931 30 20 CHED COc1cncc(CSc2ccc(C#N)c(C)c2)c1 1656666713 IRLHBALISKAKJW-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CC(C)(C)C#CC(=O)Nc1cc(C(=O)O)c2ccccc2c1 1589684780 KHHRMIYYCPFYAR-UHFFFAOYSA-N 295.338 3.526 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2C#N)CC1 1667628446 JMFNXDPSBJISEJ-FZMZJTMJSA-N 289.354 3.788 30 20 CHED CCCOc1ccc(OCc2ccccc2C#N)cc1 20297838 PTOMUTONVHPEJO-UHFFFAOYSA-N 267.328 3.926 30 20 CHED Cc1ccc(NN=Cc2cc(C(=O)O)c(Cl)s2)cc1 1776032747 OUNUYWJPKRULFT-UHFFFAOYSA-N 294.763 3.854 30 20 CHED CCCCCCCC=NNc1ccc(C(=O)O)nc1 1776069266 ZEJWUYCKBBHJAF-UHFFFAOYSA-N 263.341 3.538 30 20 CHED C=CCC[C@H](C)N1C[C@H](C(=O)O)C[C@H](c2ccccc2)C1 1776165366 GBDYVHWXPROCAC-BHYGNILZSA-N 287.403 3.531 30 20 CHED Cc1ccc([C@@H](C)C=NNc2ccccc2C(=O)O)cc1 1776031303 ZBOYPJLDEOOVFA-ZDUSSCGKSA-N 282.343 3.895 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)o2)cc1 1776114111 GEUIKLQFVKMQBM-GFULKKFKSA-N 282.295 3.582 30 20 CHED C=CCN(Cc1ccc(F)cc1)[C@@H](C(=O)O)c1ccccc1 1776180488 XHNVHKNSJCTGRX-QGZVFWFLSA-N 299.345 3.640 30 20 CHED C#Cc1cccc(NCc2c(C(C)C)nn(C)c2Cl)c1 158297335 RPNWSGKDXXZGQJ-UHFFFAOYSA-N 287.794 3.790 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(-c2nc(C)co2)c1 158472758 LRYRVYZTCDMCEW-NSHDSACASA-N 285.347 3.736 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 160938772 VCXYUOJRQAYTTP-VXGBXAGGSA-N 284.186 3.789 30 20 CHED C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC#N 152302781 CSTWSVHLHJMPTH-JTQLQIEISA-N 275.739 3.511 30 20 CHED CC(=O)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 153463621 ZFEONVWAHZGGSF-UHFFFAOYSA-N 298.729 3.667 30 20 CHED CC[C@@H](CC(=O)N1CCC(C#N)CC1)c1ccc(C)cc1 157651025 FZPPDZBVSIYCGY-INIZCTEOSA-N 284.403 3.641 30 20 CHED COc1cc(C#N)ccc1CNc1ccccc1Cl 157724923 PIBHGKQWCLWLBW-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1ncccc1C(=O)Nc1cc(C(C)(C)C)sc1C#N 154279199 ATBMPEFJZZNJCX-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)CCc1ccc2[nH]ccc2c1 154305150 NNPQXZGXLFKLAG-OAHLLOKOSA-N 284.359 3.582 30 20 CHED CSc1cc(C(=O)Nc2ccccc2C#N)ccc1F 154814316 LMIJKTPWHRVKEF-UHFFFAOYSA-N 286.331 3.672 30 20 CHED CC[C@H]1CCC[C@@H](NCc2ccc(C#N)c(C)c2)C1 1657254191 OHVQSFGDVNKHMU-WMLDXEAASA-N 256.393 3.925 30 20 CHED CCC(CC)(CC)CNC(=O)Nc1cccc(C#N)c1 1666934400 HKJXPTULHZYZLG-UHFFFAOYSA-N 273.380 3.896 30 20 CHED C#Cc1cccc(N(CC)Cc2nnc(C(C)C)s2)c1 828287369 VIEZYBWKYKBTBU-UHFFFAOYSA-N 285.416 3.669 30 20 CHED CCN(CC1CCC1)c1nc(C(F)(F)F)ccc1C#N 230316211 NKKBPZBABNSGID-UHFFFAOYSA-N 283.297 3.598 30 20 CHED CCCCC[C@H](C)NC(=O)c1c(F)cc(C#N)cc1F 152122150 BELYGPGIGMOLAA-JTQLQIEISA-N 280.318 3.535 30 20 CHED N#Cc1cc(Cl)ccc1COc1cccc(F)c1 260880834 ZXJIYIKDUUMYSF-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#Cc1c(F)cccc1Oc1ccc2c(c1)CCC2 57797209 MQKLJXDGSQEMPQ-UHFFFAOYSA-N 253.276 3.978 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1Cl 301671133 QJMSTTMXUISMOB-BPLDGKMQSA-N 276.767 3.581 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(C(C)=O)cc1 312446127 VGVIRAGCLRNOSQ-UHFFFAOYSA-N 274.364 3.613 30 20 CHED Cc1nc(NC[C@@H]2Cc3ccccc32)c(Cl)cc1C#N 312538809 KVBKUGFGOPPQNT-ZDUSSCGKSA-N 283.762 3.667 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccsc1 619745854 IVTXSHSRLSAVHF-MRVPVSSYSA-N 263.753 3.841 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1Cl)C(C)(C)C 702276951 PDAKHIUWGZSDNP-LBPRGKRZSA-N 264.756 3.509 30 20 CHED N#Cc1ccc(N[C@@H]2CC23CCCCC3)c([N+](=O)[O-])c1 387065652 XIZJITVSULOOJR-CQSZACIVSA-N 271.320 3.601 30 20 CHED N#Cc1cc(F)ccc1NCc1nc2c(s1)CCCC2 719635195 GBLLMCPMBQYQTN-UHFFFAOYSA-N 287.363 3.645 30 20 CHED CC[C@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 388848822 ZXDKCBWPZARZNH-ONGXEEELSA-N 283.297 3.963 30 20 CHED C#Cc1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1 809602971 FOSVHKBZSIYGNA-GFCCVEGCSA-N 271.310 3.797 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc2c(c1)OCO2 398205763 YBVFGWHCBNPQMM-CHWSQXEVSA-N 261.365 3.811 30 20 CHED Cc1ccc(C)c(C(=O)Nc2sc3c(c2C#N)CCC3)c1 6472250 VUDHCWOQYMLTKZ-UHFFFAOYSA-N 296.395 3.978 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2C)cc(OC)c1 8322527 FLPXMQFMLAGDIU-CMDGGOBGSA-N 282.339 3.908 30 20 CHED N#Cc1ccc(COc2ccccc2Cl)c(F)c1 19804864 WGSKHPUJPZVYPQ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC(C)(C)SCCCC(=O)Nc1cccc(C#N)c1 19870238 WLYGDHVCAYDGNA-UHFFFAOYSA-N 276.405 3.809 30 20 CHED CC(C)CCC(=O)Nc1cccc(C#Cc2ccccn2)c1 31082324 HAKMQTPUGIFMGD-UHFFFAOYSA-N 292.382 3.856 30 20 CHED CN(CCCNc1ccc(C#N)cc1F)C1CCCCC1 37901379 PFJCPEAQXRDXLQ-UHFFFAOYSA-N 289.398 3.764 30 20 CHED CCCCC/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 46708829 QDHJJFUBBJFGOU-UHFFFAOYSA-N 289.784 3.566 30 20 CHED C=C(C)CN(CC)C(=O)CSc1ccc2c(c1)CCC2 60596347 HVWHEOVWUYACRN-UHFFFAOYSA-N 289.444 3.692 30 20 CHED CC(C)Sc1ccc(C(=O)N2CCC(C#N)CC2)cc1 61584443 DJGFBRHHCCJJRT-UHFFFAOYSA-N 288.416 3.563 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N(C)c2cccc(C#N)c2)C1(C)C 63326052 UCRMHOWHCNPYHE-HOTGVXAUSA-N 282.387 3.759 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CSc1ccc2ccccc2c1 63747474 WSAZRTQMZCFYCB-ZDUSSCGKSA-N 298.411 3.550 30 20 CHED Cc1ccc(CCNC(=O)Nc2ccc(C#N)cc2)c(C)c1 65278963 LBGHKOWOXUMCBU-UHFFFAOYSA-N 293.370 3.539 30 20 CHED CCc1ccc(CNCc2ccc(OCC#N)cc2)s1 66593971 NJQCSXABIKNBIL-UHFFFAOYSA-N 286.400 3.503 30 20 CHED CCc1ccc(CNc2ccc(Cl)c(C#N)n2)s1 67367876 OCKUUISLGIJZBZ-UHFFFAOYSA-N 277.780 3.843 30 20 CHED N#Cc1nc(N[C@H]2CCCOc3ccccc32)ccc1Cl 67370903 AYOCWZOHVBEPLN-ZDUSSCGKSA-N 299.761 3.932 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1 71794979 PZALTVWPMBIRRS-RMKNXTFCSA-N 285.368 3.911 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H](C3CC3)C2)cc1 77898359 ZAYJQZTUGUTQNI-SJORKVTESA-N 254.377 3.617 30 20 CHED CC[C@H]1CN(c2ccc(C#N)c(Cl)c2)CCS1 78590349 LZLPGTXUAWKYCC-LBPRGKRZSA-N 266.797 3.543 30 20 CHED Cc1cc2cc(C(=O)N(CC#N)C3CCCC3)oc2cc1C 80394887 GJVVQJOCOJHBAY-UHFFFAOYSA-N 296.370 3.958 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(OCC3CC3)cc2)c1 84110785 VTOHODRRRURTFA-UHFFFAOYSA-N 298.367 3.661 30 20 CHED N#Cc1csc(C(=O)Nc2cc(Cl)c(Cl)cn2)c1 84116181 FGDZTYLWMCUSDZ-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CCOc1ccc(C#N)cc1NCc1ncc(C(C)(C)C)o1 85274481 VGNLYKSWAZULRU-UHFFFAOYSA-N 299.374 3.855 30 20 CHED Cc1csc(CSCCOc2cccc(C#N)c2)n1 88306512 ACXAGILNQXZAEP-UHFFFAOYSA-N 290.413 3.635 30 20 CHED Cc1ncc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 90404771 MYZPUBYXCSPQIE-GHMZBOCLSA-N 271.389 3.735 30 20 CHED CC1(C)C(CNC2CC(C#N)(c3ccccc3)C2)C1(C)C 92804494 VAGAWKLJVGCTPX-UHFFFAOYSA-N 282.431 3.882 30 20 CHED COc1ccc2oc(CN(CCC#N)CC3CC3)cc2c1 93091615 CIYPAJCXLSMSJB-UHFFFAOYSA-N 284.359 3.567 30 20 CHED N#Cc1cnc2ccccc2c1NCCc1ccc(F)cc1 97393460 IRWOXOGYKAKCJC-UHFFFAOYSA-N 291.329 3.900 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(OC)cc2F)c1 97993202 AJYOQNUXIAZRIF-TWGQIWQCSA-N 286.302 3.739 30 20 CHED CCCC(=O)Nc1cccc(NCc2ccc(C#N)cc2)c1 98127973 GECOEHOZCMWZPI-UHFFFAOYSA-N 293.370 3.909 30 20 CHED Cc1ncsc1C/N=C/c1c(O)ccc2ccccc12 103716934 XUHZVLLSVJCLBX-CAOOACKPSA-N 282.368 3.929 30 20 CHED COc1cc(Cl)ccc1CNc1ccc(C#N)cc1 107675309 IPSRJYNTYQVLHY-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=CC[C@@H](C)NC(=O)C(C)(C)c1ccccc1Cl 116849728 SRELKFZHZOJZOZ-LLVKDONJSA-N 265.784 3.698 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 116861663 GQAOKXVJDRNXBV-MRVPVSSYSA-N 258.148 3.688 30 20 CHED C=CC[C@H](C)NCc1c(C)nn(-c2ccccc2)c1C 116926493 UFKGQPDACQQUCB-ZDUSSCGKSA-N 269.392 3.543 30 20 CHED C=CC[C@H](C)NCc1ccc(Br)s1 116927126 IDYWBFKOYBWIJC-QMMMGPOBSA-N 260.200 3.565 30 20 CHED Cc1csc(CNc2cccc(OCCCC#N)c2)n1 117383454 NHVIMYYWUZHAPH-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(OC)c(Br)c1 120604430 NNIYCZKGLRZYBB-JTQLQIEISA-N 284.197 3.684 30 20 CHED C=CCC[C@H](NCCc1ccc(NC(C)=O)cc1)C1CC1 120948082 LCTOVTCPDNAFOA-SFHVURJKSA-N 286.419 3.522 30 20 CHED C=CCC[C@@H](NCCc1sc(C)nc1C)C1CC1 121086173 IJYHWLKPAONSGC-CQSZACIVSA-N 264.438 3.637 30 20 CHED CC1CC(C#N)(C(=O)Nc2cccc(C(F)(F)F)c2)C1 124131132 XTZOVNFGXWCIMK-UHFFFAOYSA-N 282.265 3.584 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OCCC)cc1 125063820 RMNUYYYWIPKSFP-UHFFFAOYSA-N 274.364 3.681 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3cccs3)cnc12 125216667 VKZBYKDSWAGGSA-VOTSOKGWSA-N 268.341 3.600 30 20 CHED C=CCC[C@H](C)NCc1cccc(Br)c1 126805867 BGAYKMBYRCFHMU-NSHDSACASA-N 268.198 3.893 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1sccc1C#N 127997332 GBTVCNOYHPAZRN-UHFFFAOYSA-N 284.384 3.672 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCC[C@H](O)CC)cc1 128324437 IELBABMCOKEFDA-UKRRQHHQSA-N 297.826 3.630 30 20 CHED C=CCCOc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 128838620 WQTYIYQZBWQDHK-AWEZNQCLSA-N 286.331 3.543 30 20 CHED Cc1cccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 131305152 DICNQRKCKASHFU-UHFFFAOYSA-N 294.354 3.663 30 20 CHED C=CCNc1ccccc1NC(=O)Cc1cccs1 133316882 JHOUZLBQUOLOQD-UHFFFAOYSA-N 272.373 3.527 30 20 CHED C=C[C@@H](CC(=O)N1CCS[C@@H](CC)C1)c1ccccc1 136782451 OPPVNMPLKCGVMG-HOCLYGCPSA-N 289.444 3.700 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc(C(F)(F)F)cc1 152637113 KVXNKHWOMASPMS-BQYQJAHWSA-N 294.276 3.818 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cccc(OC)c1 153287883 QDALZEXNWLLUBO-UHFFFAOYSA-N 290.407 3.583 30 20 CHED N#CCC[C@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1 153366610 FCADAKQPVWYYBI-KRWDZBQOSA-N 296.345 3.529 30 20 CHED C=CCC(CC=C)C(=O)NCCOc1ccccc1Cl 159233295 SPHHLDTYSXJZIP-UHFFFAOYSA-N 293.794 3.603 30 20 CHED C=C(C)COCCN[C@@H]1CCCc2c1[nH]c1ccccc21 163538403 GVCLWVYKIZQTKC-QGZVFWFLSA-N 284.403 3.728 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1nccn1CCc1ccccc1 164267194 HVXWPRLVNZBYNC-IAGOWNOFSA-N 297.446 3.816 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@H]1CCC[C@H](C)C1 165455847 IZNHFRBDTMXJGP-GUYCJALGSA-N 256.393 3.877 30 20 CHED O=C(/C=C/c1ccccc1F)c1ccc(O)c(F)c1 170851933 BYGNPHBTDRJVQX-FNORWQNLSA-N 260.239 3.567 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(C#N)cc1 171683512 SMEQMVDXUZPSKJ-ZDUSSCGKSA-N 291.354 3.709 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2C)CC1 172314934 SLJMMDGSBILSAW-AWEZNQCLSA-N 285.391 3.911 30 20 CHED C=CCSCc1nnc(-c2ccccc2Cl)o1 173825445 VCCVXHHUQPPEPJ-UHFFFAOYSA-N 266.753 3.809 30 20 CHED C[C@@H]1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)[C@@H]1C 175058290 QYIKAVGGPSRRPD-NXEZZACHSA-N 287.313 3.619 30 20 CHED C=CCCCC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 175262879 CPGWPPSUJAFURL-CQSZACIVSA-N 298.386 3.890 30 20 CHED CC(=O)Oc1ccc(CSc2ccccc2C#N)cc1 177963513 MARBQIVFMKOISF-UHFFFAOYSA-N 283.352 3.776 30 20 CHED O=C1C(=Cc2ccc(F)c(Cl)c2)C(=O)c2ccccc21 179319205 IDLRPVGJGHTJRJ-UHFFFAOYSA-N 286.689 3.942 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2csc3ccccc23)C1 179862537 YXKLXCUQNCBXBC-MNOVXSKESA-N 271.341 3.750 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 180950215 RDNMMSNLBBZWSS-HUUCEWRRSA-N 299.418 3.555 30 20 CHED CO[C@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 181551987 XYNOIUCIHOVCCL-KBXCAEBGSA-N 280.371 3.597 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(Br)ccc1C 181592374 GTTDOARBWIILHH-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=CCN1CCC(N[C@H](c2ccccc2)c2ccco2)CC1 183562654 RTHMWXRUSNLVQR-LJQANCHMSA-N 296.414 3.609 30 20 CHED CC[C@H](CC#N)NCc1c[nH]nc1-c1cccc(Cl)c1 184085693 HMNANUKUPPJZJE-CQSZACIVSA-N 288.782 3.512 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(N[C@H]2CCC[C@H](C#N)C2)c1 185732445 KWXXMTPQGCVJBE-HOTGVXAUSA-N 294.402 3.983 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1Cl)c1cnccn1 186216166 MVNXJFFJNZFTTP-SECBINFHSA-N 275.764 3.855 30 20 CHED C=CCC[C@H](C(=O)Nc1ccccn1)c1ccccc1 187769586 DOGOYUWDEWBXKT-HNNXBMFYSA-N 266.344 3.770 30 20 CHED Cc1nc(COc2ccc(C#N)c(Cl)c2)cs1 190261400 XOSQMSXRAFYEJF-UHFFFAOYSA-N 264.737 3.556 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2cc(C#N)n(C)c2)C1 191386104 WMGBBYWQEVONNS-WBVHZDCISA-N 293.414 3.583 30 20 CHED C[C@H](Nc1ccc(N(C)C)cc1)c1ccc(OCC#N)cc1 192962571 NKZFLLYKDGMOEM-AWEZNQCLSA-N 295.386 3.828 30 20 CHED O=C(/C=C/c1nc(-c2ccccc2)c[nH]1)c1sccc1O 193148926 BLHQASXVZIPEFJ-VOTSOKGWSA-N 296.351 3.740 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1ccccc1OCC#N 194117856 XSACVQWUZZUUHG-CQSZACIVSA-N 288.391 3.535 30 20 CHED Cn1ccnc1-c1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 194134564 NEXVOLOICNIBPO-UKRRQHHQSA-N 280.375 3.581 30 20 CHED CC(C)CN(Cc1cccc(C#N)c1F)CC(C)C 219514978 DGTJKURLWYDRAB-UHFFFAOYSA-N 262.372 3.811 30 20 CHED N#Cc1cccc(COc2ccccc2Cl)c1F 223536567 CVPLCQVCGAYKSN-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1cccc(OCc2cccc(C#N)c2F)c1F 227296982 QYTCHNQWQFUNBX-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C(C)(C)C#N 245551394 PBTBIRGSABVCIL-TVYUQYBPSA-N 293.313 3.550 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)[C@@H](c2ccccc2)CO1 245741622 LXHYOFZWZLCQLT-CXAGYDPISA-N 298.411 3.582 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H](C)C#N 248437512 HDBLONJTCQFXFH-OIISXLGYSA-N 299.418 3.514 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccccc2C#N)CC1 249854247 PYGPKWWZTZJIKW-JOCQHMNTSA-N 256.349 3.713 30 20 CHED C[C@@H](CN(C)[C@H](C)CC#N)c1cccc(Cl)c1 249936946 SGQZTTWEFGDZIR-NWDGAFQWSA-N 250.773 3.677 30 20 CHED CS[C@H]1CCC[C@@H](Nc2snc(Cl)c2C#N)C1 265299267 FOPNGXJKAZIGKK-SFYZADRCSA-N 287.841 3.754 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CC#N)cc1 270214749 KMBQZJNCVNHLJT-HNNXBMFYSA-N 292.382 3.504 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)cc1 270217189 GUSFIBIBKMSLMD-SFHVURJKSA-N 296.414 3.938 30 20 CHED C[C@@H]1c2ccsc2CCN1CC(C)(C)CCC#N 271034141 JMYFZZMJVHESRT-GFCCVEGCSA-N 262.422 3.997 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCO[C@@H](C(C)C)C2)c1 271497099 JZVPBXUZGJNNIY-SJLPKXTDSA-N 289.419 3.545 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 271992167 LZOUGWRHDCESJH-KBPBESRZSA-N 282.387 3.502 30 20 CHED C#CCCCCc1nc(-c2ccc(COCC)cc2)no1 273719378 JFQPTNRDDPSQQP-UHFFFAOYSA-N 284.359 3.619 30 20 CHED Cc1nc(C)c(C#N)c(SCCCCC(C)(C)C#N)n1 277496888 DEVRKLGGHMMBJS-UHFFFAOYSA-N 288.420 3.777 30 20 CHED CC1(C)CCCN(C(=O)c2cc3ccccc3o2)[C@H]1C#N 277840299 ITUCADODYAHMPK-HNNXBMFYSA-N 282.343 3.587 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C#N)oc1C 280618970 KVJLJRGLAVTDFN-NHYWBVRUSA-N 274.364 3.501 30 20 CHED C=CC[C@H](C)N[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 280667760 CDFZQLSPAZILSQ-IHRRRGAJSA-N 277.408 3.750 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)CCc1cccs1 281388432 OVVGUUIPLMKFQS-CYBMUJFWSA-N 280.437 3.677 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CCC)Cc1ccc(C#N)cc1 281436535 RVWRPXBPRDZGBT-QGZVFWFLSA-N 299.418 3.835 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)CC(C)(C)C#N)C2)cc1 285892872 SBAQQKHIPZILHB-QGZVFWFLSA-N 298.430 3.895 30 20 CHED C=CCC[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccco1 286152251 OXOWSPQCWNBROD-GJZGRUSLSA-N 291.391 3.562 30 20 CHED Cc1cc(CNc2ccccc2S[C@H](C)CC#N)on1 290694500 UZLJYSNRYRPWQK-GFCCVEGCSA-N 287.388 3.989 30 20 CHED CCCC[C@@H](C)N(C)C(=O)c1cc(C#N)ccc1Cl 291176605 HVEDCRDRCIDEEW-LLVKDONJSA-N 278.783 3.862 30 20 CHED C=CCN(CCC#N)C(=O)Cc1coc2c(C)c(C)ccc12 292268293 GTPQQZYCCSEZSZ-UHFFFAOYSA-N 296.370 3.520 30 20 CHED N#CCCCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 292387708 QRDPXTKVORADGU-UHFFFAOYSA-N 297.185 3.793 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(OC)c(Cl)c1 292614903 BORSESXIWPJFJB-UHFFFAOYSA-N 281.783 3.567 30 20 CHED C=CCC(C)(C)CNC(=O)/C=C/SCc1ccco1 294279299 PSIFDTVVZSBEQE-JXMROGBWSA-N 279.405 3.745 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 295203263 LBYSCMNJYUALGF-SSDOTTSWSA-N 292.326 3.551 30 20 CHED CO[C@H](C)CCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297804095 OTSAXNJMEJWEDK-SNVBAGLBSA-N 294.420 3.671 30 20 CHED C=CCOCCCC(=O)N(C(C)C)[C@@H](C)c1ccccc1 297888534 PJKHSGDRPQYBQE-INIZCTEOSA-N 289.419 3.967 30 20 CHED Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)n1C 298322003 FQNRLAPHBLTNNC-UHFFFAOYSA-N 295.386 3.695 30 20 CHED N#Cc1ccc(CC(=O)N2CCC[C@H]2c2ccsc2)cc1 299557765 SKLJVTDQHQLEKD-INIZCTEOSA-N 296.395 3.526 30 20 CHED N#Cc1nccnc1Oc1ccc(Cc2ccccc2)cc1 301148824 NMLJPVJXJJXLJZ-UHFFFAOYSA-N 287.322 3.731 30 20 CHED Cc1ccc(CSCCNc2cccc(C#N)n2)cc1 301251011 BLTIBNXUUMGMCA-UHFFFAOYSA-N 283.400 3.607 30 20 CHED C[C@@H]1CCCCN1C[C@H]1CCCN(c2ccc(C#N)cc2)C1 301287965 PBMHEQABRKHGTQ-SJLPKXTDSA-N 297.446 3.649 30 20 CHED N#Cc1c(F)cccc1N1CCc2c(F)cc(F)cc2C1 301721143 QHAMDUANSAUEKF-UHFFFAOYSA-N 288.272 3.538 30 20 CHED COC[C@H](Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1 301964377 VYVSOKKPCPXTPL-INIZCTEOSA-N 288.297 3.636 30 20 CHED CCc1ccc(CNc2cc(C(C)=O)ccc2C#N)s1 302105701 NLVFYDQCHSTJMM-UHFFFAOYSA-N 284.384 3.997 30 20 CHED C=CCC[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 302240986 XTIBIUYNHZHTCO-CQSZACIVSA-N 284.319 3.504 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)C[C@@H]1C=CCC1 302592231 MAAYXVNYBUCMFW-CYBMUJFWSA-N 272.344 3.685 30 20 CHED N#Cc1c(F)cccc1NCCc1ccc(F)c(F)c1 302758588 JIKXYZMJVCWLQC-UHFFFAOYSA-N 276.261 3.630 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCOc1ccc(C#N)cc1 303709390 PMDADFYJERISSM-HFTRVMKXSA-N 284.403 3.590 30 20 CHED Cc1nc(N(C)[C@H](C)C(C)(C)C)c(Cl)cc1C#N 311138064 SMRWLCWLZWCCOU-SNVBAGLBSA-N 265.788 3.786 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)cc1Cl 311852767 PEWHNVFARIWUQE-MRVPVSSYSA-N 284.693 3.586 30 20 CHED CC(C)[C@]1(C)C[C@@H]1/C(O)=N/[C@@H]1CCC(O)=NC12CCC2 328738845 KYKIUTKSXUSTNP-JMSVASOKSA-N 278.396 3.667 30 20 CHED OC(CC[C@H]1CCOC1)=Nc1ccc(C(F)(F)F)nc1 328873013 FBUGOVFDTXEWQC-VIFPVBQESA-N 288.269 3.505 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ocnc1C1CC1 329333530 NLVXFMXOWQCIRM-WCFLWFBJSA-N 274.364 3.825 30 20 CHED C[C@H](/C(O)=N/[C@@H]1CCCc2occc21)c1ncccc1F 329904461 RALYQYKYBXPJOO-GXFFZTMASA-N 288.322 3.951 30 20 CHED CC(C)O[C@@H]1C[C@H](/N=C(/O)C[C@@H]2CCC(=O)[C@H]2C)C1(C)C 330021865 YORPIADWHSMSRO-NZBPQXDJSA-N 295.423 3.540 30 20 CHED Cc1noc(N=C(O)[C@@H]2C[C@@]23CCOc2ccccc23)c1C 330107273 LWVINEQXDSVXFU-SUMWQHHRSA-N 298.342 3.620 30 20 CHED Cc1nc(CC/N=C(/O)C[C@H]2C=CCCC2)c(C)o1 330296851 GOMUJBKUBURBMV-ZDUSSCGKSA-N 262.353 3.537 30 20 CHED CSc1ccc(/C(O)=N/[C@@H]2CCC[C@H]2C)cc1[N+](=O)[O-] 330385394 LILGBUUHUDCBCR-MWLCHTKSSA-N 294.376 3.810 30 20 CHED CCOc1cc(N/C(O)=N/C[C@@H]2CCCS2)ccc1C 330566584 LFVDZLJWGHKPCS-ZDUSSCGKSA-N 294.420 3.615 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3C2)CCCC1 334662394 OHLWLTTUAASBCW-UHFFFAOYSA-N 255.361 3.665 30 20 CHED Cc1ccc(Cl)cc1NC(=O)N(C)CC(C)(C)C#N 336419046 FLYZGJSDHBVWNT-UHFFFAOYSA-N 279.771 3.662 30 20 CHED Cc1ncc(CN2CC=C(c3ccc(C#N)cc3)CC2)s1 336529358 CKJCKVYEDZTDPU-UHFFFAOYSA-N 295.411 3.613 30 20 CHED C=CCn1c(C)nnc1N(C)Cc1cccc2ccccc12 337827885 XGCYCBUHHLJMED-UHFFFAOYSA-N 292.386 3.562 30 20 CHED C=CCC[C@@H](NCc1ncc(C)n1C)c1ccccc1 341400470 XKDCCURULGIPRM-MRXNPFEDSA-N 269.392 3.526 30 20 CHED C=C1CCN([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 342001714 LGDJLQAVDNZHIB-OAHLLOKOSA-N 286.419 3.789 30 20 CHED CC(C)(CCC#N)CNCc1cc2ccc(F)cc2[nH]1 342295554 PZOPZVQBUBAAOJ-UHFFFAOYSA-N 273.355 3.727 30 20 CHED CC1CCC(N(C)Cc2ccc(CC#N)cc2)CC1 342686163 AAOFWMYDWYXMKZ-UHFFFAOYSA-N 256.393 3.763 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NCC1(C#N)CC1 343584297 UXLJFCRUNJAFGJ-MRXNPFEDSA-N 256.393 3.976 30 20 CHED C=C(CNCc1c(C)nn(CCC)c1C)c1ccccc1 343761446 HKLAUYVQVHJNBN-UHFFFAOYSA-N 283.419 3.713 30 20 CHED C=C(C)COc1cc(CNCC2(C)CC2)ccc1OC 344710267 MYXIFILMRZRYGV-UHFFFAOYSA-N 275.392 3.540 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)CC1 346486935 FGKLJTKMHCZRAZ-SJORKVTESA-N 299.414 3.769 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2SCCc3ccccc32)n1 346818596 CQOKCNHZKXDQGZ-INIZCTEOSA-N 295.411 3.704 30 20 CHED COc1cc(C#N)ccc1Cn1ccc(-c2cccs2)n1 347068724 OLOVWBJXLZVWEU-UHFFFAOYSA-N 295.367 3.540 30 20 CHED Cc1oc(C#N)cc1-c1nc(C(C)(C)c2ccccc2)no1 347102774 IHHGBVKSSWHUEI-UHFFFAOYSA-N 293.326 3.836 30 20 CHED N#Cc1cc(F)ccc1CN1Cc2cccc(Cl)c2C1 347410280 ACXQWMNZWONPQG-UHFFFAOYSA-N 286.737 3.867 30 20 CHED C=CCOCCCN1CCCC[C@H]1c1ccc(C)o1 348060867 SDIFARWDYVBSAN-HNNXBMFYSA-N 263.381 3.708 30 20 CHED C=CCn1c(-c2cc(C)oc2C)nnc1N(C)[C@H](C)CC 351074022 LCUFDCXNYNTPHJ-LLVKDONJSA-N 288.395 3.576 30 20 CHED C=C[C@H](CO)N[C@H]1CCCc2c(Cl)sc(Cl)c21 353564113 HUIRYXQAPMFNHP-APPZFPTMSA-N 292.231 3.569 30 20 CHED N#Cc1ccccc1SCc1nc2cccnc2s1 356182707 YGTPEARFFRNVRP-UHFFFAOYSA-N 283.381 3.855 30 20 CHED C=CCCC1(C(=O)Nc2ccc3nc(N(C)C)oc3c2)CC1 356322426 VSQGATJGPQBWNO-UHFFFAOYSA-N 299.374 3.579 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccc(F)cc2C)CC1 357062796 XOSXVNZQUKFBMC-UHFFFAOYSA-N 275.367 3.839 30 20 CHED N#Cc1ccc(NCc2ccc(F)cn2)cc1C(F)(F)F 357166413 KIJTWCMINKJFKC-UHFFFAOYSA-N 295.239 3.723 30 20 CHED N#CCCCC(=O)NCc1ccc(Oc2ccccc2)cc1 360153570 CANVNWSVCLRYLZ-UHFFFAOYSA-N 294.354 3.789 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCSC1 360656136 GDWVCFVXKOGXPS-WBVHZDCISA-N 286.444 3.811 30 20 CHED C=C(C)COCCN[C@H]1CCCCc2cc(C#N)ccc21 360662567 HBIJVMVPGHAQAY-SFHVURJKSA-N 284.403 3.508 30 20 CHED CCCc1cccc(CN(CCC#N)CC2CC2)c1 360873188 OSEPZHJYOZUQDK-UHFFFAOYSA-N 256.393 3.765 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1F 362301551 SIEUXTIMEPSXDE-JTQLQIEISA-N 286.281 3.579 30 20 CHED CCCCCCCC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 375143724 RFELVBKRJXETRB-SJORKVTESA-N 281.440 3.668 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 375901331 MBUJTOUEBZCUPO-YSVLISHTSA-N 288.366 3.518 30 20 CHED CC(C)(C#N)CC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 377306173 UMNDQDSYYOHEOG-APWZRJJASA-N 296.414 3.854 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 398132732 LLQGEIVYYJZJSI-SNVBAGLBSA-N 296.754 3.723 30 20 CHED CCN(Cc1cccc(Br)c1)[C@H](C)CCC#N 411196941 CIEHZCMOZGBTIL-GFCCVEGCSA-N 295.224 3.963 30 20 CHED CC1(C[S@@](=O)Cc2ccc(C#N)cc2)CCCCC1 414283754 PNYPBQDKIAUEPT-IBGZPJMESA-N 275.417 3.777 30 20 CHED Cc1cc(NC(=O)[C@H]2CCC[C@H](C)C2)c(C#N)cc1N(C)C 415692819 MRMLLAGFEXMSKL-JSGCOSHPSA-N 299.418 3.698 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N1CCc2cc(C#N)ccc21 416009957 GHEVNHMLRWDUER-GOEBONIOSA-N 282.387 3.664 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C 417485038 VUBINOIAXHHSSD-IHRRRGAJSA-N 288.439 3.602 30 20 CHED CO[C@H](CSCC1(C#N)CCC1)c1ccccc1 419485335 DHXZAGCKONYGMA-CQSZACIVSA-N 261.390 3.801 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419610575 ANQIELLWLMSRDU-CXAGYDPISA-N 299.418 3.622 30 20 CHED C=CCc1cccc(F)c1OCc1c(C)noc1C 424103972 RXRZHCLAUMOCEX-UHFFFAOYSA-N 261.296 3.738 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1 424765671 OPALPOYOUAIBBC-DOMZBBRYSA-N 293.382 3.620 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(CC#N)c1 424861290 DMICFGZKNCTFIN-IUODEOHRSA-N 256.349 3.517 30 20 CHED CSCCCCC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425137382 XPENYZZRPDTAOW-CYBMUJFWSA-N 290.432 3.611 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCCCC1(F)F 425266644 IODHIRHTKSLFGX-NSHDSACASA-N 295.289 3.704 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2Cc2ccccc2)c1Cl 429190891 VXTLMJBDCDDLPK-HNNXBMFYSA-N 297.789 3.818 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H](c2ccccc2)C1 431316508 WTQUWNVOMBAMLT-IRXDYDNUSA-N 286.419 3.930 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@H](CC)C1 435742755 OKHXHGAFLNSDKR-JJXSEGSLSA-N 251.414 3.526 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C1C[C@H]2CCC[C@H](C1)C2 436028652 PVZGRAAIMVUCQI-DCGLDWPTSA-N 276.424 3.647 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc2ccc(Cl)cc2n1 438061722 BLJZEQBQXLPFTR-SNVBAGLBSA-N 274.751 3.583 30 20 CHED CCOC(=O)C[C@H](C)S[C@H](C)c1cccc(C#N)c1 442912636 KPPYTJQHBHBPBX-NWDGAFQWSA-N 277.389 3.694 30 20 CHED N#Cc1ccc(CNc2ccc3ccoc3c2)s1 442993317 PFLYNEBUKCLHCY-UHFFFAOYSA-N 254.314 3.978 30 20 CHED C=CC[C@H]1N(CCc2c(C)noc2C)CCCC1(C)C 444787456 RGJMLFYYUYXCPM-MRXNPFEDSA-N 276.424 3.901 30 20 CHED C=CCC[C@@H](N=c1[nH]nc(C(C)C)o1)c1ccccc1 450396760 XFMQNAFDDSDELC-CQSZACIVSA-N 271.364 3.734 30 20 CHED Cc1occc1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452656087 LTVCWXSBCORYBJ-UHFFFAOYSA-N 298.342 3.889 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452677495 IICSJPVHYVIEHE-VXGBXAGGSA-N 286.375 3.720 30 20 CHED C=CCC[C@@H](CO)N[C@H](CCC)c1ccsc1 453359641 PAOSCFIVJWQWFG-UONOGXRCSA-N 253.411 3.506 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 455371881 TWIYTLXTDUSDTD-DZGCQCFKSA-N 272.392 3.601 30 20 CHED C=CCC1(NC(=O)Cc2c[nH]c3ncccc23)CCCCC1 456374932 XNKCDZRPGHMYRV-UHFFFAOYSA-N 297.402 3.501 30 20 CHED C=CCC1(CNC(=O)C[C@H]2CCO[C@H](CC)C2)CCCC1 456483614 HMVQPPVTFGBBHN-JKSUJKDBSA-N 293.451 3.834 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)C1CCC1 457511323 ZCIFHDBZIBPOGE-CQSZACIVSA-N 282.387 3.509 30 20 CHED CN(C(=O)CC(C)(C)C#N)[C@@H]1CCC[C@H]1c1ccccc1 458032335 UHVBRWMUROHKFE-JKSUJKDBSA-N 284.403 3.721 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 458610630 CTNKSJAYNRYGFF-RCBQFDQVSA-N 276.424 3.561 30 20 CHED Cc1cc(C#N)cc(C)c1OCCOc1ccccc1F 461549496 XGPJICCSJZKMDA-UHFFFAOYSA-N 285.318 3.772 30 20 CHED CC#CCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 462327917 PWBMTFKEYYHBGC-GOEBONIOSA-N 259.418 3.578 30 20 CHED CC#CCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 462479315 WWIOQWWHHNXESW-AWEZNQCLSA-N 281.321 3.908 30 20 CHED C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@@H](C)CC 463092025 IYXYUWGIBCRAMW-LBPRGKRZSA-N 286.379 3.730 30 20 CHED CCC[C@H](C(=O)Nc1ccc(C#N)c(F)c1)C(C)C 464642294 KCVZAVZTAUFMTM-ZDUSSCGKSA-N 262.328 3.708 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCC#Cc1ccccc1 465585828 UWMMJCKKYARVPV-FUHWJXTLSA-N 298.430 3.648 30 20 CHED Cc1ccccc1C[C@H]1CCCN1CCCSCC#N 466744091 PMAJIEWPPWHRNK-QGZVFWFLSA-N 288.460 3.649 30 20 CHED C=CCOCCCN(C)[C@H](CC)Cc1ccccc1 470766243 QNMNOLMFEDPANO-QGZVFWFLSA-N 261.409 3.532 30 20 CHED C=CCCC1(C(=O)N[C@H](C)CCc2ccccc2)CC1 474081543 QGABDPLXMXUETD-OAHLLOKOSA-N 271.404 3.870 30 20 CHED CCCC[C@H](SCc1ccccc1C#N)C(=O)OC 475862297 BFOIRBWERNFGPP-AWEZNQCLSA-N 277.389 3.523 30 20 CHED COC1(CN[C@H](C)c2cccc(C#N)c2)CCC(C)CC1 479504905 QSSUKCDHJFFSCF-SWKXRBFHSA-N 286.419 3.804 30 20 CHED C=C[C@@H](Cc1nc(Cc2cncs2)no1)c1ccccc1 482773223 QBBYKAPIXFIFKG-LBPRGKRZSA-N 297.383 3.629 30 20 CHED Cc1c([C@H](C)NC(=O)NCC(C)(C)C#N)oc2ccccc12 484760212 HRQVKZVGOZGIEA-LBPRGKRZSA-N 299.374 3.651 30 20 CHED C=CCOc1cccc(NC(=O)N2CCCC[C@H]2C=C)c1 488363496 ZULYKSHFXHDHOM-OAHLLOKOSA-N 286.375 3.824 30 20 CHED Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1OC(C)C 488416342 CGVLOQUKTMJLGL-UHFFFAOYSA-N 294.354 3.906 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](CSC)C1 489838432 DHQZVSRKSNMFGJ-ZIAGYGMSSA-N 284.469 3.516 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccccc1C(C)(C)C 491221559 XRYIKTAVNLEDFY-LBPRGKRZSA-N 258.365 3.517 30 20 CHED C=CCCCC(=O)Nc1cccc2c1CN(CC(C)C)C2 494461361 PFCXMTIDZGQILB-UHFFFAOYSA-N 286.419 3.953 30 20 CHED CCOc1ccc(N(CC)C(=O)c2ccc(C#N)cc2)cc1 500423301 KQZLQVLZFMULSI-UHFFFAOYSA-N 294.354 3.624 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(OC)c(C)c1 500972931 KKTHMRSYOGSXBJ-UHFFFAOYSA-N 296.370 3.886 30 20 CHED C=CCCC(=O)N[C@@H](COc1ccccc1)c1ccccc1 502345483 LSMNMECSHFOZSH-SFHVURJKSA-N 295.382 3.889 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[C@@H](C)CC 502780741 HBGRVISBASPTKH-GJZGRUSLSA-N 259.393 3.883 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1Cl)c1ccccc1 505628083 CJLHSTBFMCVHNP-UHFFFAOYSA-N 284.746 3.878 30 20 CHED CCN(CCCOc1cc(C)ccc1C)C[C@@H](C)C#N 506059733 BKQJYXRFHCVZKH-HNNXBMFYSA-N 274.408 3.554 30 20 CHED CCc1ccc([C@@H](C)C(=O)N[C@@H](C#N)C2CCCCC2)cc1 506536730 AFZUQHZKEIGVSW-KDOFPFPSSA-N 298.430 3.941 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1 515459694 QDIYLYSHCBWYFD-UHFFFAOYSA-N 297.373 3.891 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(-c2csc(C)n2)cc1 519742475 AHRFALXYLWOASM-INIZCTEOSA-N 299.399 3.541 30 20 CHED Cc1cccc(CN(CC(C)C)c2ccc(C#N)cn2)c1 520153241 WIKOVNJCIMAQNF-UHFFFAOYSA-N 279.387 3.924 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2nc(C3CC3)oc2c1 528801979 PMYGGMZGDKCPKD-UHFFFAOYSA-N 297.358 3.974 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)c1cc2ccccc2o1 531131513 VLUJCWPVQSDVHJ-ZDUSSCGKSA-N 284.359 3.687 30 20 CHED CCC(CC)N(CCC(=O)Nc1ccccc1C#N)C1CC1 532530160 VCKMKUHKSUIUAR-UHFFFAOYSA-N 299.418 3.540 30 20 CHED C=CCC[C@H](NCCc1cc(C)ccc1OC)C1CC1 532677780 VIDGJICKAVJTOQ-KRWDZBQOSA-N 273.420 3.881 30 20 CHED COc1cccc(CCCOc2cccc(F)c2C#N)c1 533675194 LUWZPEROFCDRIB-UHFFFAOYSA-N 285.318 3.718 30 20 CHED C=C(C)[C@@H](CC(=O)NC[C@H](CC)c1ccccc1)OCC 533713796 TUDIMKFRNJVMOW-DOTOQJQBSA-N 289.419 3.668 30 20 CHED CC(C)c1ccc(CNC(=O)c2ccc(CC#N)cc2)cc1 536087484 FHTUBQSIVFTCOL-UHFFFAOYSA-N 292.382 3.806 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)NCCc1ccccc1C 536881648 MHEUSNSWXVTUMW-HNNXBMFYSA-N 291.460 3.742 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 538367264 BEDNKYSURHJCCG-QLFBSQMISA-N 266.429 3.951 30 20 CHED C=C(CC)CN1CCC(COc2ccccc2)CC1 540202821 FYEHLJJCPMUIFW-UHFFFAOYSA-N 259.393 3.744 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC[C@@H](C)C1 540645857 MRTXZGUUVKEDLG-ZIAGYGMSSA-N 275.367 3.777 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H](C(C)(C)C)C2)c1C#N 543198211 YRDHAAMQHQZRFW-NSHDSACASA-N 277.799 3.788 30 20 CHED C=CCN(Cc1cc(OC)ccc1Br)C1CC1 543619600 ICINYMRPHXYSSM-UHFFFAOYSA-N 296.208 3.608 30 20 CHED N#CCC1CCN(Cc2coc(-c3cccs3)n2)CC1 543809483 PUTYSXRJVVJXNH-UHFFFAOYSA-N 287.388 3.529 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)CCC(C)(C)C 544403581 FECRLJMBVWRISP-WFASDCNBSA-N 252.402 3.503 30 20 CHED C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C 548616400 KNNVJSWTXKKBPV-GYSYKLTISA-N 290.794 3.766 30 20 CHED C=CCCC(=O)NCc1ccccc1OCCC(C)C 549123920 OHJZAETWSHIEOR-UHFFFAOYSA-N 275.392 3.694 30 20 CHED C=C(C)Cn1c(CC)nnc1N(C)C[C@@H](C)c1ccccc1 549287922 QDKTWRFNEPRBHS-OAHLLOKOSA-N 298.434 3.657 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@@](C)(CC)C1 549690835 KVHLNWUJNABJMB-WMLDXEAASA-N 290.455 3.994 30 20 CHED C=C(C)COc1cccc(NCc2conc2CC)c1 550175512 YJHUTDSLLIUMDH-UHFFFAOYSA-N 272.348 3.804 30 20 CHED Cc1cc(NCC2(Sc3ccccc3)CC2)cc(C#N)n1 553390121 PGRJNJWKCFWBHK-UHFFFAOYSA-N 295.411 3.999 30 20 CHED C=CCOCCN1CCC[C@@H]1c1cc(C)ccc1C 555380238 NNOXCOKIMYMOIY-QGZVFWFLSA-N 259.393 3.643 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC1CCC(C(C)(C)C)CC1 556918787 WFVSUWYPCRAPBV-KVULBXGLSA-N 278.440 3.895 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)CC(C)(C)C 558663028 BQCUKNRVXZPVFD-UHFFFAOYSA-N 276.428 3.604 30 20 CHED Cc1nc(C(C)C)ccc1COc1ccc(C#N)cc1 558808137 OVAHAHVUZYKLCH-UHFFFAOYSA-N 266.344 3.964 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CCC(C)(C)CC1 559026838 YTBGBNICENARCU-UHFFFAOYSA-N 290.455 3.679 30 20 CHED N#CCCOCCN1CCCCC[C@@H]1/C=C\c1ccccc1 559110440 MQMIEJZRMAQYLV-YAINUAMHSA-N 298.430 3.875 30 20 CHED CC1(C)CC[C@@H](Sc2cccc(F)c2C#N)C1=O 563439102 KFIYAMSBSIEUDC-GFCCVEGCSA-N 263.337 3.547 30 20 CHED N#Cc1ccc(NC(=O)Cc2coc3ccccc23)cc1F 564698312 RPRBWAQSKXEXPN-UHFFFAOYSA-N 294.285 3.625 30 20 CHED C=CC1CCN(c2nnc([C@H](C)CC)n2C2CC2)CC1 565131104 PDNHCLBYTPSQNI-GFCCVEGCSA-N 274.412 3.529 30 20 CHED N#CCc1ccc(NC(=O)N2C3CCC2CC3)c(Cl)c1 565758601 DLINFXYYGWRNIL-UHFFFAOYSA-N 289.766 3.565 30 20 CHED CCc1nocc1CSCc1ccc(F)cc1C#N 566481773 PRTNOTNNWDSHHK-UHFFFAOYSA-N 276.336 3.681 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cccc3nc(C)[nH]c23)no1 566968155 IXFMSURRHSNCHQ-UHFFFAOYSA-N 282.347 3.775 30 20 CHED Cc1c(C(=O)NC[C@H]2CC2(C)C)sc2ccc(C#N)cc12 567118470 XASOPQNFDHUCBD-GFCCVEGCSA-N 298.411 3.857 30 20 CHED Cc1ccc(C(=O)CCN2CCC(CCC#N)CC2)cc1 567791658 YXCYASDXJCWWKN-UHFFFAOYSA-N 284.403 3.584 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc2n(n1)CCC2 570662554 MKAHLEICJRUSHV-WMLDXEAASA-N 294.402 3.525 30 20 CHED C=CCCCCSCC(=O)NCc1ccc(F)cc1 575356227 GKLQDWHDSLIVPH-UHFFFAOYSA-N 281.396 3.531 30 20 CHED Cc1cc(F)ccc1Cc1noc(-c2cccc(C#N)c2)n1 577026803 SCPHMUHBTNJLAW-UHFFFAOYSA-N 293.301 3.647 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)cn1)[C@H](C)c1ccsc1 577213727 XQDRBYJDXOKXFG-GFCCVEGCSA-N 299.399 3.627 30 20 CHED CC[C@H](CC#N)NCCc1cccc(Cl)c1Cl 577743743 YMBZHPTYJODZBA-LLVKDONJSA-N 271.191 3.818 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@H]2F)c(C(F)(F)F)c1 580101298 LTMLBVOQMKTYJL-PWSUYJOCSA-N 272.245 3.880 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1cc(C#N)cc(C)n1)CC2 587972395 WDYVLTVEFWEWHE-MRXNPFEDSA-N 263.344 3.670 30 20 CHED COc1cccc(/C=C2/Cc3ccc(F)cc3C2=O)c1F 588619309 ZRFOKMUWIVPCNO-WQLSENKSSA-N 286.277 3.796 30 20 CHED CC1(C)Cc2ccccc2N(C[C@@H](C#N)CCC#N)C1 590006507 IBIZIFSYLGKPAQ-CQSZACIVSA-N 267.376 3.519 30 20 CHED COc1ccc(CSc2nc(C)nc(C)c2C#N)cc1C 590596360 BRTNPOKMSZIJFO-UHFFFAOYSA-N 299.399 3.574 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N1CCC[C@](C)(C#N)C1 592788317 WVDCESZLRAOQQD-NVXWUHKLSA-N 276.424 3.911 30 20 CHED COc1ccccc1-c1ccc(OC)c(C2(C#N)CC2)c1 592986162 VYTYODFNMQSMGE-UHFFFAOYSA-N 279.339 3.926 30 20 CHED Cc1c([C@H](C)NCCc2ccc(C#N)cc2)cnn1C(C)C 595055426 COJCVKZHTJILIW-AWEZNQCLSA-N 296.418 3.537 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCCc1ccc(C#N)cc1 595056761 VYMCWFYGRHXBCO-HZPDHXFCSA-N 278.399 3.883 30 20 CHED N#C[C@H](c1ccccc1)N1CCC[C@H](c2ccncc2)C1 595486653 BOCFVYCHIMUCPZ-ZWKOTPCHSA-N 277.371 3.526 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 596581425 ONHHUWAXJCKXHS-MRXNPFEDSA-N 297.402 3.590 30 20 CHED C=CCCSCCNC(=O)C(C)(C)c1ccccc1C 597972741 PTSXZUIPNXRIAU-UHFFFAOYSA-N 291.460 3.698 30 20 CHED CCC(C#N)(CC)C(=O)NCCSc1ccc(C)cc1 598974452 MJOIXFYCZQDPTQ-UHFFFAOYSA-N 290.432 3.533 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)CC1CCCCC1 599844668 LVYZPKKZVMEFLQ-ZDUSSCGKSA-N 264.413 3.791 30 20 CHED N#Cc1ccc(CN(Cc2cnc(C3CC3)o2)C2CC2)cc1 600112705 UWOJPUOTLLWCNC-UHFFFAOYSA-N 293.370 3.588 30 20 CHED C[C@H](CCC#N)CNC[C@@H](C)Oc1ccccc1Cl 602557014 ISHSFHDPTJDFIC-CHWSQXEVSA-N 280.799 3.637 30 20 CHED C[C@H](CCC#N)CNC[C@@H]1CCC[C@@H](C(F)(F)F)C1 602574367 ZIHXXLFHJBVNFC-JHJVBQTASA-N 276.346 3.885 30 20 CHED CC(F)(F)CCC(=O)Nc1ccc(C#N)c(Cl)c1 603728317 OJAINCATSKQTLL-UHFFFAOYSA-N 272.682 3.586 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@@H](C)CC(C)(C)C 604455683 PBUGSZSMCXTREW-DOMZBBRYSA-N 252.402 3.503 30 20 CHED CCOc1ccccc1N[C@H](C#N)Cc1ccccc1 604553175 XJROSBCOURWIQM-HNNXBMFYSA-N 266.344 3.632 30 20 CHED C=CCOCC(=O)Nc1ccc(C)c(OCCC(C)C)c1 606823800 UVCXWKPXEVJNMK-UHFFFAOYSA-N 291.391 3.561 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc(Cl)cc1Cl 608824438 YGKDPQZLXCHCDB-JTQLQIEISA-N 285.174 3.661 30 20 CHED C[C@H](C(=O)NCCCCC#N)c1c(Cl)cccc1Cl 609141634 AIICQVLANQVCSG-JTQLQIEISA-N 299.201 3.907 30 20 CHED CC[C@H](CSC)N[C@H]1CCCc2cc(C#N)ccc21 611395784 NKBVZOPFSDUDIS-ZBFHGGJFSA-N 274.433 3.667 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccccn1 614402349 ADUAYMBFZDFXKF-GOSISDBHSA-N 277.371 3.599 30 20 CHED CC1(C)CN(C(=O)c2ccccc2-c2ccccc2C#N)C1 619146643 DZYYUWRORBBZBY-UHFFFAOYSA-N 290.366 3.707 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 619748312 HRUOSLAYRMLHPP-BXUZGUMPSA-N 262.784 3.880 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC(Cc2ccsc2)C1 621523717 PRDJKRLQAWMGHZ-UHFFFAOYSA-N 292.448 3.534 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C(C)(C)C 622944242 KRRWVKQQYDPRRK-UONOGXRCSA-N 293.357 3.881 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCO[C@H](C)C1 657530488 PZISXYGRCPJGPQ-QXSJWSMHSA-N 251.414 3.526 30 20 CHED C=CCCNC(=O)Nc1cc(OC)ccc1OCCCC 665485527 RDDABZYGOFDPFU-UHFFFAOYSA-N 292.379 3.572 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](C3CCC3)C2)cc1 665678497 UEAPTINVDXCFBX-MRXNPFEDSA-N 285.387 3.514 30 20 CHED O=C(NO)c1ccc(/C=C\c2ccc3ccccc3n2)cc1 671997357 BJTCHTMWHMEGGL-XFFZJAGNSA-N 290.322 3.524 30 20 CHED C=C(CNC(=O)Cc1ccc(Cl)s1)c1ccccc1 672481301 OIBDPAZDXLADNA-UHFFFAOYSA-N 291.803 3.774 30 20 CHED C=CCC[C@@H](N[C@H]1CCOc2cc(OC)ccc21)C1CC1 676639521 LXXFYWIXNSGUPK-SJORKVTESA-N 287.403 3.853 30 20 CHED C=C(CC)CN1CCc2[nH]c3ccc(C)cc3c2C1 678624531 BSXSWODCYKCTCN-UHFFFAOYSA-N 254.377 3.801 30 20 CHED CC#CCCN1CCC(c2ccc(F)c(F)c2)CC1 680883723 PUKLVLPDJKKNCW-UHFFFAOYSA-N 263.331 3.558 30 20 CHED C#CCN(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 688821281 DWRJXMWTECWKPC-JYJNAYRXSA-N 273.420 3.607 30 20 CHED N#Cc1cc(N2CCC(F)CC2)ccc1C(F)(F)F 689824357 GVOVFPJLCWEUIM-UHFFFAOYSA-N 272.245 3.515 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](C)[C@@](C)(CO)C1 694709537 AOYADRPYWDQOIM-NVXWUHKLSA-N 283.456 3.604 30 20 CHED CCOc1ccc(O)c(/C=N/CCSC(C)(C)C)c1 727265248 MAAFFCZNHNWKBO-LFIBNONCSA-N 281.421 3.742 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccccc2)cc1F 727653718 XWQGKDWMAFBPEW-LUAWRHEFSA-N 269.319 3.788 30 20 CHED C#Cc1cccc(N(C)C(=O)/C=C(\C)c2ccccc2)c1 728481432 FMVAHTFWYUOSIX-FYWRMAATSA-N 275.351 3.734 30 20 CHED C=CCCOC(=O)c1ccccc1-c1ccccc1C#N 729072158 AALCQWGTVAHPHE-UHFFFAOYSA-N 277.323 3.958 30 20 CHED CC(C)C[C@H](C)OC(=O)c1cc2ccccc2n1CC#N 729894421 WJDBWGSGOGYQHX-ZDUSSCGKSA-N 284.359 3.756 30 20 CHED C#CCOc1cccc(OCc2cc(-c3ccco3)on2)c1 730439153 AKIRIAUWCBKLML-UHFFFAOYSA-N 295.294 3.526 30 20 CHED CCOc1cccc(/C=C2/COc3ccc(F)cc3C2=O)c1 731565039 CXSCGZVISDLIOU-JYRVWZFOSA-N 298.313 3.883 30 20 CHED CC1(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCCC1 731768427 IVYXKOPWOODBBE-AWEZNQCLSA-N 278.355 3.991 30 20 CHED Cc1cc(NN=Cc2cccc(OC3CCCC3)c2)ncn1 731935363 VTFUANQMLHPORH-UHFFFAOYSA-N 296.374 3.552 30 20 CHED C=CC1CCN(Cn2cnc3cc(C)c(C)cc32)CC1 732180931 HVPXUUZDQMFCKE-UHFFFAOYSA-N 269.392 3.509 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1nc2ccc(Cl)cc2[nH]1 732568761 KDIAEHCFNAGSIC-SECBINFHSA-N 297.749 3.656 30 20 CHED C#CCOc1cccc(NC(=O)Nc2ccc(CC)cc2)c1 733634633 VIWRFNUFMYQTOP-UHFFFAOYSA-N 294.354 3.905 30 20 CHED C#CC(C)(C)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 733883497 LDPOXEJGVLVBFD-UHFFFAOYSA-N 295.169 3.616 30 20 CHED C#CCOc1ccccc1CNc1nccc2sccc12 734145394 PFIGHMOSVNLAHJ-UHFFFAOYSA-N 294.379 3.920 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H](C)c2cccc(F)c2)c1 734771178 GLUSAVWRDWCWLG-AWEZNQCLSA-N 295.357 3.964 30 20 CHED C#CCOc1cccc(OCc2ccc(F)c(F)c2)c1 735488165 HOMOXKGTQDUELX-UHFFFAOYSA-N 274.266 3.556 30 20 CHED Fc1cccc(F)c1NN=C1CCCOc2ccccc21 735615804 YJZJBYXMZARFGQ-UHFFFAOYSA-N 288.297 3.954 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 736241596 BNHNSOJZYAJWQL-GFCCVEGCSA-N 295.810 3.620 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)O[C@H](C)C#N)cc1 738740819 ITVQGEVDPSEGOO-CHWSQXEVSA-N 259.349 3.759 30 20 CHED Cc1oc(C(=O)O)cc1CSc1ccc(C#N)cc1F 738966143 QPCRMWTYLXFXBR-UHFFFAOYSA-N 291.303 3.589 30 20 CHED CC(C)(C)CCCNC(=O)/C=C/c1ccccc1C#N 739779790 BLXVZPONIFWNPR-MDZDMXLPSA-N 270.376 3.514 30 20 CHED CCCCCCCCOCC(=O)Nc1ccc(C)cn1 741527153 USXNIFSCWAHLNZ-UHFFFAOYSA-N 278.396 3.706 30 20 CHED Cc1ncsc1/C=C\C(=O)c1cn(C)c2ccccc12 742434239 GHBLKGJDRVYVSZ-FPLPWBNLSA-N 282.368 3.839 30 20 CHED C=C(C)CN(CC)C(=S)Nc1cc(OC)ccc1Cl 742975952 RWXLZNQKXYWNKQ-UHFFFAOYSA-N 298.839 3.943 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C=C\c1ccco1 743684261 QBJLSMFDYWXQHF-KHPPLWFESA-N 281.355 3.550 30 20 CHED Cc1cc(F)cc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1 744101839 LQOOJSWVKNGXKF-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C#C[C@@H](C)OC(=O)c1c(C)n(CCC)c2ccc(OC)cc12 744180663 SGTQDJRATUNZCO-GFCCVEGCSA-N 299.370 3.547 30 20 CHED COc1ccccc1C(C)=NNc1oc(C(C)C)nc1C#N 745624998 RUXYNDPNJUGFEZ-UHFFFAOYSA-N 298.346 3.514 30 20 CHED CCO[C@H]1CC(=NNc2cc(F)c(F)c(F)c2)C1(C)C 747641819 FUWSKMMPSPSBBS-LBPRGKRZSA-N 286.297 3.707 30 20 CHED Fc1ccc(/C=C/C=NNCCCOc2ccccc2)cc1 747751879 SVMGQWOCWNWMBI-BTEVDIRYSA-N 298.361 3.883 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 748441579 LJGCHASUFZEIPH-KPKJPENVSA-N 290.366 3.910 30 20 CHED CC[C@H](Oc1ccccc1C)C(=O)Oc1ccc(C#N)cc1 750150549 FZHVGOSQPWYQRD-INIZCTEOSA-N 295.338 3.630 30 20 CHED C=CCN(C(=O)[C@H](CC)Oc1ccccc1C)C(C)C 750178664 JNDWLQJOIIZYNO-HNNXBMFYSA-N 275.392 3.575 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](OC)C1 752480548 MDJNXSAFEISITG-HNNXBMFYSA-N 269.429 3.765 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 752874655 MLFMNKWJWQZVOT-VMPITWQZSA-N 296.257 3.502 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)s1 752875359 OYFRKHHEJBBQBK-ALCCZGGFSA-N 291.303 4.000 30 20 CHED C#C[C@H](CC)NC(=O)C1(c2cccc(F)c2)CCCCC1 754683448 YSBIXIDIIQECCJ-MRXNPFEDSA-N 287.378 3.556 30 20 CHED CCC(=NNc1ccccc1C(F)(F)F)c1nccn1C 755466955 JXOOPULQSLMRLD-UHFFFAOYSA-N 296.296 3.665 30 20 CHED C[C@@H]1CCc2c(F)cccc2C1=NO[C@@H]1CCCCO1 755822469 ULVQUSDJXXGNKB-IAQYHMDHSA-N 277.339 3.655 30 20 CHED CC(C)(C)OCCCON=Cc1ccc(Cl)cc1 756847111 JEGHTYOTVFSDJM-UHFFFAOYSA-N 269.772 3.896 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)C1CCCCC1 756901130 LLYOPHFIYTUUTO-UHFFFAOYSA-N 290.363 3.762 30 20 CHED C#CC[C@H](NC(=O)c1cccc(OCC)c1)c1ccccc1 757598977 LSKFHVAURLWAHT-SFHVURJKSA-N 293.366 3.580 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc(Br)nc1 758370614 PCTQFNIUJZQUED-SECBINFHSA-N 282.185 3.822 30 20 CHED FC(F)CON=Cc1ccccc1OC1CCCC1 758907542 XQVWCELTIHTZCT-UHFFFAOYSA-N 269.291 3.624 30 20 CHED C=CCN(C[C@H](O)c1ccc(Cl)cc1Cl)C(C)C 759130307 SMUHPKHLQHCOFX-AWEZNQCLSA-N 288.218 3.923 30 20 CHED C#CCCCC(=O)O[C@H](C)C(=O)c1cc(C)c(C)cc1C 759173596 KCRCPUUGOITGDM-OAHLLOKOSA-N 286.371 3.530 30 20 CHED CCCCCCCCCNC(=O)N1CCOC[C@H]1C1CC1 760822725 XWEFRMZBLWZEEP-INIZCTEOSA-N 296.455 3.557 30 20 CHED C#CCCCCc1nc(CCC2CCCCC2)no1 761754062 CAUWKJAKGYRDBF-UHFFFAOYSA-N 260.381 3.929 30 20 CHED Cc1ccc(C=NNCc2ccc(C(F)(F)F)cc2)nc1 761806039 PYDSEGQLLBTGET-UHFFFAOYSA-N 293.292 3.533 30 20 CHED CCCCC[C@H](C)NC(=O)[C@@H](C#N)CCc1ccccc1 764146171 BTUIOZNLLLYGAB-DOTOQJQBSA-N 286.419 3.844 30 20 CHED Cc1ccc(C=NOCc2cccc3nsnc23)cc1 764542673 AIMCFUWKSRDFLN-UHFFFAOYSA-N 283.356 3.550 30 20 CHED CC1(C)C(=NNCc2ccc(Cl)cc2)[C@H]2CCCO[C@@H]21 764719526 ZJCMCYBNAAATSA-HIFRSBDPSA-N 292.810 3.621 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1c(C)cccc1C 765976484 JHLSADKOOUXQAS-HNNXBMFYSA-N 276.376 3.890 30 20 CHED C[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C(C)(C)C1 767196431 VERVPTHDRYRBSX-GFCCVEGCSA-N 271.408 3.876 30 20 CHED N#CC1(C(=O)Oc2ccc(C3CCC3)cc2)CCCC1 767230484 PWGLXTBIDKZPOO-UHFFFAOYSA-N 269.344 3.943 30 20 CHED C=CCN(Cc1ccccc1)Cc1c(O)cccc1OC 768549945 GYKWNYAZACBCJL-UHFFFAOYSA-N 283.371 3.589 30 20 CHED C=CCN(C(=O)[C@@H](F)c1ccccc1)c1ccccc1 769437133 UNVRSVGRFPAKGH-INIZCTEOSA-N 269.319 3.916 30 20 CHED C=CCCC(=NNc1ccc(F)c([N+](=O)[O-])c1)C1CC1 769823328 YCUBOFBCZLRPIA-UHFFFAOYSA-N 277.299 3.878 30 20 CHED CCC(CC)CNN=C[C@H]1CCOc2ccccc21 774460387 HFIOHKIINZOLBU-CQSZACIVSA-N 260.381 3.564 30 20 CHED CC(=NOC1CCCC1)c1cnn(-c2ccccc2)c1 774597712 WEYFZIAASNFPEO-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C#C[C@@H](C)NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 775384065 QJJJYXBIHYHLIP-OAHLLOKOSA-N 291.394 3.769 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(O)cccc1Cl 776016328 NUJZLXJJKGPEEW-SNVBAGLBSA-N 267.756 3.520 30 20 CHED COc1ccc(N(C)CCC(C)(C)C#N)cc1Cl 776587684 YSXADMROVJFMAE-UHFFFAOYSA-N 266.772 3.725 30 20 CHED CC[C@H]1CC(=NNc2nc3ccccc3cc2C)CCO1 776785082 CTRLUPIVSARGDE-HNNXBMFYSA-N 283.375 3.900 30 20 CHED CCN(C(=O)Cc1ccccc1CC#N)[C@@H]1CCCC[C@H]1C 776885309 XKWNBBZTPQHHKH-CRAIPNDOSA-N 298.430 3.722 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1ccc[nH]1 777449556 XDQASZIAGXTPSR-KRWDZBQOSA-N 269.392 3.596 30 20 CHED CC(Cn1nc(C)cc1C)=NOCCCc1cccc(C)c1 778028266 YNFHVJQIXPIKQD-UHFFFAOYSA-N 299.418 3.834 30 20 CHED C=CCC[C@@H](C(=O)OCC(=O)CCC)c1ccccc1 778553177 SRWTUEAUOMHXHZ-MRXNPFEDSA-N 274.360 3.649 30 20 CHED C#CCCCCCC(=O)N1c2ccccc2N(C)CC[C@@H]1C 779961592 WTIWJFGSIPCTCA-INIZCTEOSA-N 298.430 3.832 30 20 CHED Cc1cc(Cl)ccc1C=NN[C@@H]1CCOC(C)(C)C1 780240322 BIYOWJUTWJVVIG-CQSZACIVSA-N 280.799 3.530 30 20 CHED CCCCCC[C@H]1CCCC1=NN[C@@H]1CCCOC1 780262721 PTOZNBAWDNFVHP-LSDHHAIUSA-N 266.429 3.882 30 20 CHED CCOc1ccc(C=NN[C@@H](C)c2ccccc2)cc1F 782200458 GEXTUNJWXVTQCQ-ZDUSSCGKSA-N 286.350 3.909 30 20 CHED Cc1cc(COC(=O)CCCc2cccs2)ccc1C#N 782341294 IPCQDVJPMIYPNU-UHFFFAOYSA-N 299.395 3.994 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C\c1ccccc1F 782347796 NRNMAESEKMWHNV-HJWRWDBZSA-N 275.323 3.712 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1cc(C)ccc1F 782420217 WEWNNLNKUHUASJ-LBPRGKRZSA-N 278.396 3.871 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C\c1ccc2[nH]ccc2c1 785856160 HIBZGLGSNCKWPP-GQSKFBFOSA-N 280.371 3.748 30 20 CHED C#CCC1(C(=O)N2CCc3sccc3C2)CCCCC1 788151429 JJHFVETZQXETIC-UHFFFAOYSA-N 287.428 3.607 30 20 CHED C#CCC1(C(=O)N(C)CCc2cccs2)CCCCC1 788227769 HFGFFNHPYVXJQU-UHFFFAOYSA-N 289.444 3.723 30 20 CHED C#CCC1(C(=O)NCCCc2cccs2)CCCCC1 788235774 ITMXYEQMMIYTIR-UHFFFAOYSA-N 289.444 3.771 30 20 CHED Cc1cc(C=NNc2nccn2C)c(C)n1C1CCCCC1 790302730 XXSXDKUFODWWSG-UHFFFAOYSA-N 299.422 3.790 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@@H]1CCSC1 790598242 KPQOQTKGVHOGMF-VAKHEIKFSA-N 271.385 3.717 30 20 CHED N#CC[C@@H](CC(=O)Oc1cccc(F)c1)c1ccccc1 792867531 JHTSEHIUYCMCAI-AWEZNQCLSA-N 283.302 3.819 30 20 CHED C=CCC[C@H](C(=O)OC[C@H]1CCO[C@@H]1C)c1ccccc1 793442119 PEBLGHSUHXULBL-OIISXLGYSA-N 288.387 3.705 30 20 CHED COc1cccc(/C=N\CCCc2ccccc2F)c1O 794850020 YFWOIZBZWGYNAN-UNOMPAQXSA-N 287.334 3.592 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NO[C@H]1CCCCO1 794857026 BTAONNJABVWWER-KRWDZBQOSA-N 284.359 3.532 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1nc2ccccc2s1 794938560 MGZACQHTALSQIW-FPLPWBNLSA-N 297.383 3.970 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)CCc2ccc(O)cc21 794960243 PBKUEAWAFQIHFR-GHXNOFRVSA-N 297.379 3.939 30 20 CHED CCCOc1ccc(C(C)=NNc2ncccc2F)cc1 794984795 NFZWJYATQCLEKQ-UHFFFAOYSA-N 287.338 3.846 30 20 CHED CC1(CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 794988286 LJGHLDLOXUIXOQ-UHFFFAOYSA-N 293.823 3.688 30 20 CHED C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccncc1 795980816 KYETVCFNLIAGRT-WMLDXEAASA-N 294.354 3.773 30 20 CHED COc1ccccc1CON=Cc1scnc1C1CC1 799118772 ULCJVIVQTAGZPI-UHFFFAOYSA-N 288.372 3.580 30 20 CHED Cc1ccc(C(=O)Oc2c(F)cccc2Cl)cc1C#N 799361902 ZTKOEYVYWXAFFW-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C[C@H](C#N)OCCSCCSCc1ccccc1 802751365 MIHHKUPUCZSHDN-CYBMUJFWSA-N 281.446 3.582 30 20 CHED C=CCCCCCCNC(=O)c1cccc(F)c1C#N 805219382 IMCAIRJCHQGYSJ-UHFFFAOYSA-N 274.339 3.564 30 20 CHED C[C@@H]1CCCC[C@H]1OCCOC(=O)CCCCCC#N 805696023 SWIUHNKCWDOSBK-HUUCEWRRSA-N 281.396 3.599 30 20 CHED Cc1ccc2cc(C=NNCC3CCCC3)ccc2n1 808006358 UPTJLAQCKKKPND-UHFFFAOYSA-N 267.376 3.657 30 20 CHED C#Cc1ccc(CN(CC)[C@@H](C)c2cccc(O)c2)cc1 809549162 OBBBBQVTVZBYIY-HNNXBMFYSA-N 279.383 3.957 30 20 CHED C=CCCCCOC(=O)c1cnc(CCC)s1 811013276 OAWCZURQFDZJPD-UHFFFAOYSA-N 253.367 3.609 30 20 CHED C=C(C)CNC(=S)Nc1ccc(-c2ccccc2)c(C)n1 811707184 SKMUDJGRDBVGJR-UHFFFAOYSA-N 297.427 3.920 30 20 CHED CCCN(CC)C[C@H](C)Nc1nc2ccccc2cc1C#N 811868343 ULERMMQUGRGBHN-AWEZNQCLSA-N 296.418 3.639 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@H](C)CCCC)c1ccccc1 812181236 JKUQABMKKQSKDH-WBVHZDCISA-N 286.419 3.971 30 20 CHED c1ccc(C(C[C@@H]2CCOC2)=NOCCC2CC2)cc1 814244847 DSXYYSPIRRFDMZ-HNNXBMFYSA-N 273.376 3.634 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)C(C)(C)C 814330538 JABPEYUQAXFWHR-UHFFFAOYSA-N 251.414 3.759 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)/C=C\c1ccccc1C#N 814330793 OVAZOIRGDVRNNH-KHPPLWFESA-N 284.403 3.760 30 20 CHED CCc1ccc(C#CC(=O)N(C)Cc2ccccc2C)cc1 814366642 OPKPBLMGYDNLQJ-UHFFFAOYSA-N 291.394 3.568 30 20 CHED Clc1ccnc(NN=C2CC[C@@H]3CNc4cccc2c43)c1 814898944 YNZNAGDYMNTZHL-SNVBAGLBSA-N 298.777 3.854 30 20 CHED CC1(C)C(=NNc2ccc(F)c(F)c2F)[C@@H]2CCCO[C@H]21 814945208 QIYJIDDPQSABSI-RMLUDKJBSA-N 298.308 3.707 30 20 CHED CCOc1ccc(NN=C2CCc3ccccc32)cc1 814985216 XHKAOHWBOROXOU-UHFFFAOYSA-N 266.344 3.848 30 20 CHED CC(C)CCC[C@H](C)NC(=O)c1cc(C#N)ccc1F 820713579 IACISNBBYKTVMY-LBPRGKRZSA-N 276.355 3.642 30 20 CHED C#CCOc1ccccc1NC(=O)N1CCC[C@@H](CC=C)C1 822754200 KNNJDQBZZCWDPI-OAHLLOKOSA-N 298.386 3.519 30 20 CHED COc1ccc(-c2nc(C=NOC(C)C)cs2)cc1 835004472 OQSGJJIEDKCONT-UHFFFAOYSA-N 276.361 3.578 30 20 CHED CC(CSC(C)(C)C)=NNc1ncc(F)cc1F 835022499 LTHZTRLVMXUPSS-UHFFFAOYSA-N 273.352 3.679 30 20 CHED C#C[C@H](Cc1ccccc1)OC(=O)[C@H](CC)CC(F)(F)F 835240590 KDDYWTNWTCICLN-ZIAGYGMSSA-N 298.304 3.753 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(SC(F)F)cc1 837305305 SGWMBSPHHRAVLD-UHFFFAOYSA-N 283.343 3.989 30 20 CHED CCCCC[C@H](C(=O)NCC(C)(C)CC#N)C(C)C 837888632 LCVQPKMAUGRQOX-AWEZNQCLSA-N 266.429 3.895 30 20 CHED C=CCONC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 838705054 YEHVCRQKQIHWSE-GFCCVEGCSA-N 288.347 3.643 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccccc2Cl)C1 839043441 MABJVKQLSIGBMX-QWRGUYRKSA-N 263.724 3.579 30 20 CHED C=CCC1(C(=O)Nc2cccc(F)n2)CCCCC1 839327675 UDPZOJTTWTWEBJ-UHFFFAOYSA-N 262.328 3.686 30 20 CHED COc1ccccc1C(=O)OCCC1(C#N)CCCCC1 840008869 XEIOYSNYGWGURF-UHFFFAOYSA-N 287.359 3.716 30 20 CHED CSCC(C)(C)C(=O)OCCC1(C#N)CCCCC1 840552726 VOGPPSPOPOLWPG-UHFFFAOYSA-N 283.437 3.783 30 20 CHED CCCCCCCC(=O)OCc1nc(C)oc1C 841341264 YYIQSPNYBJDZBA-UHFFFAOYSA-N 253.342 3.695 30 20 CHED CCCC[C@H](CC)C(=O)Oc1cccc(OCC#N)c1 841342475 GEFPIADXNULKIT-ZDUSSCGKSA-N 275.348 3.711 30 20 CHED CC1=C(C)C[C@H](C(=O)OCC(C)(C)CCC#N)CC1 842785842 REORBCKJRNFTJS-CQSZACIVSA-N 263.381 3.996 30 20 CHED CCC/C=C\C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842943343 VIECVNCOPHZOLK-WYGGZMRJSA-N 260.362 3.553 30 20 CHED CSc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)cc1 849243165 QJMCZKIMLIUILS-KTKRTIGZSA-N 298.411 3.916 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1ccnn1CC1CC1)C2=O 849247356 BUNMZKKLFXVHOS-CXUHLZMHSA-N 296.395 3.931 30 20 CHED C=CCC1(NCc2ccc(Cl)nc2)CCCC1 850389154 VFTHITMUNWITMZ-UHFFFAOYSA-N 250.773 3.714 30 20 CHED C=CCCCCCCCN[C@@H]1CCCn2nccc21 850468625 JGQVVMXUEYZPLQ-OAHLLOKOSA-N 261.413 3.834 30 20 CHED C#CC1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)CC1 853257969 GKJUCZCCRWATOS-UHFFFAOYSA-N 290.750 3.630 30 20 CHED CC(CC(C)(C)C#N)=NNc1c(F)cccc1F 853309742 VPSLRYKCIYFKBM-UHFFFAOYSA-N 251.280 3.692 30 20 CHED Cc1cc(-c2scc3c2OCCO3)ccc1CC#N 854206235 KJCXNSJMEFUDIS-UHFFFAOYSA-N 271.341 3.561 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(C1CC1)[C@H](C)C#N 855585110 ZCGGHVCDOZMHQK-ZIAGYGMSSA-N 264.413 3.886 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C(/C)c1ccco1 857593943 HKQORSRPZKDCNY-QBFSEMIESA-N 274.364 3.662 30 20 CHED C=CC[C@H](C)NC(=O)OCc1ccc(Br)cc1 858991287 FKXKVAUOYIIWSB-JTQLQIEISA-N 298.180 3.640 30 20 CHED C#C[C@H](OC(=O)CCc1csc(C)n1)c1ccc(C)cc1 860964038 IQKXDITXZWKWRL-INIZCTEOSA-N 299.395 3.610 30 20 CHED CCCC(=NNc1ncc(F)cn1)c1cc(C)sc1C 863106398 YOLZOXRGOWGYDW-UHFFFAOYSA-N 292.383 3.910 30 20 CHED N#CCc1ccc(COC(=O)C2CCC=CCC2)cc1 873428715 KMLJUBQPGGEFTR-UHFFFAOYSA-N 269.344 3.542 30 20 CHED Cc1cc(OC(C)C)ccc1NCc1cccc(C#N)n1 876818520 UXSIQBWJIQBRQV-UHFFFAOYSA-N 281.359 3.661 30 20 CHED COc1ccc(NC[C@@H](C)CCC#N)c(Br)c1 876872586 HRRAEBVGTKSPLM-JTQLQIEISA-N 297.196 3.809 30 20 CHED C=C1CCC(C(=O)NCC2(CCOC)CCCCC2)CC1 890039838 PSYOYUJISYHQKR-UHFFFAOYSA-N 293.451 3.836 30 20 CHED COc1cccc2c(NCCCC#N)nc(Cl)cc12 893128094 KWBXGCCWHMTTLU-UHFFFAOYSA-N 275.739 3.612 30 20 CHED N#C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C1CCCC1 893705874 YZYVMAXMLMPUAB-ZDUSSCGKSA-N 297.185 3.806 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](c2ccncc2)C2CC2)C1 898999775 DUOYYEFZZARNCL-YOEHRIQHSA-N 299.418 3.530 30 20 CHED Cc1ccoc1CC(=O)N(O)Cc1cccc2ccccc12 901370593 ANFBLCFKPOQJOT-UHFFFAOYSA-N 295.338 3.702 30 20 CHED C=CCCCCSCc1cccnc1[N+](=O)[O-] 902399993 KTBXKUHBVDNTHL-UHFFFAOYSA-N 252.339 3.579 30 20 CHED C=C[C@@H](CC)CC(=O)N(CCCC)c1ccncc1 906099584 PSTCMVXHGGPGQP-AWEZNQCLSA-N 260.381 3.817 30 20 CHED CCN(C(=O)/C=C/c1ccccc1C#N)c1ccccc1F 914475106 HNQPPYBHYNATPT-VAWYXSNFSA-N 294.329 3.764 30 20 CHED N#CCCCCOC(=O)CCOc1ccc2ccccc2c1 914914451 HYMFYEBZXITZMT-UHFFFAOYSA-N 297.354 3.846 30 20 CHED Cc1ccsc1C=NNc1ncccc1C(F)(F)F 915051155 MOWARVNBIXTXGI-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C=C(C)CNC(=S)N1CCC(C2CCCCC2)CC1 916023267 UATBSVJZSXTIEE-UHFFFAOYSA-N 280.481 3.729 30 20 CHED O=C(O)c1ccc(NN=C2CCCCc3ccccc32)cc1 916240834 QMXKHPAISHXGCE-UHFFFAOYSA-N 294.354 3.927 30 20 CHED Cc1cc(C)c(C=NNc2cccc(C(=O)O)c2)c(C)c1 916255362 VNIHAOFTEPCSGA-UHFFFAOYSA-N 282.343 3.756 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC)c(OC)c1)C(C)C 916707671 WDHMZKCBHNCWNA-UHFFFAOYSA-N 292.379 3.522 30 20 CHED C=C(C)CNC(=S)N(Cc1ccc(Cl)cc1)C1CC1 917579106 BMZOVLZSSKNEKO-UHFFFAOYSA-N 294.851 3.755 30 20 CHED CCCCNN=Cc1cn(C)nc1-c1cc2ccccc2o1 920373893 MYEUBTJAXXMOKA-UHFFFAOYSA-N 296.374 3.557 30 20 CHED Cc1ccsc1CCN[C@H](C)CC(C)(C)C#N 925694629 VOVGSLCGPIUETD-GFCCVEGCSA-N 250.411 3.517 30 20 CHED CCC(=O)Nc1ccc(N[C@H](C)CC(C)(C)C#N)cc1 926001118 WORJHQSYCKMNNA-GFCCVEGCSA-N 273.380 3.775 30 20 CHED C[C@@H]1CN(C(=O)Nc2sccc2C#N)[C@@H]2CCCC[C@@H]12 931837149 FAXKSOCZNXDRJJ-KGYLQXTDSA-N 289.404 3.662 30 20 CHED N#C[C@@H]1CCCN(Cc2csc(Nc3ccccc3)n2)C1 932159957 STWIOGOGNYZOFS-ZDUSSCGKSA-N 298.415 3.622 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(C)n([C@@H](C)CC)n1 935253268 WTHLUENWPUJTQW-WCQYABFASA-N 263.385 3.703 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1116428308 ZYOBJKFOMDRVIG-NSHDSACASA-N 296.773 3.924 30 20 CHED C(=NNc1cncnc1)c1ccc(-c2ccccc2)s1 1117102326 DXWJGOLQHSIIRD-UHFFFAOYSA-N 280.356 3.651 30 20 CHED C=CC[C@H](C(=O)NCCCC(F)F)c1ccccc1 1120077562 GWFWQSRKQUYLBS-ZDUSSCGKSA-N 267.319 3.508 30 20 CHED C=C(C)CCC(=O)NCC1(c2ccccc2OC)CCC1 1120632381 HFCZGUHIQGYOKC-UHFFFAOYSA-N 287.403 3.589 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(F)F)nc1 1120733129 GHVGSHPBMGTHNR-GFCCVEGCSA-N 280.318 3.590 30 20 CHED Cc1oc(C(C)C)cc1C(=O)O[C@H]1CC[C@H](C#N)C1 1122646516 FDVIEJLTNQJJFY-RYUDHWBXSA-N 261.321 3.561 30 20 CHED CC(C)c1scnc1NC(=O)c1ccc(C#N)cc1F 1129395753 PFKAFTJNXPKTSP-UHFFFAOYSA-N 289.335 3.530 30 20 CHED CC[C@H]1CN(CCC2(C#N)CCCCC2)[C@@H](CC)CO1 1195863063 PWRRGDWKCPPWPV-HOTGVXAUSA-N 278.440 3.740 30 20 CHED CC(C)(C)c1ccc(-c2nnc(CCCC#N)o2)cc1 1252818040 QVPFHUZTYVXJRX-UHFFFAOYSA-N 269.348 3.880 30 20 CHED CC[C@H](C)c1nnc(-c2cc(C#N)ccc2Cl)o1 1261574799 KWIPEPBWGXCNAP-QMMMGPOBSA-N 261.712 3.775 30 20 CHED C#CCN(C(=O)Nc1c(C)cc(Cl)cc1C)C(C)C 1262283918 ZBKQUIZJSPVSJC-UHFFFAOYSA-N 278.783 3.832 30 20 CHED CCCCC[C@@H](CC)C(=O)[C@H](C#N)c1nccn1CC 1263616688 DQLQFBXEVFLDJA-KGLIPLIRSA-N 275.396 3.686 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC[C@@H](C)c1ccc(F)cc1 1264866758 SYJLDLJMMUNWKJ-CYBMUJFWSA-N 296.345 3.539 30 20 CHED CCC[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C1CCC1 1299214171 VPTYAPLZRSBZQN-HNNXBMFYSA-N 292.329 3.535 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC 1307485555 KAZSHFKCNYLFDZ-PBHICJAKSA-N 286.419 3.967 30 20 CHED N#CCc1ccc(CNC2(C3CCCCC3)CC2)cc1 1308144330 WLMXRDZTNMDCBZ-UHFFFAOYSA-N 268.404 3.955 30 20 CHED C=C[C@@H](COC)N[C@@H](C)Cc1c(Cl)cccc1Cl 1320306537 VZOJUUSBOAUANM-QWRGUYRKSA-N 288.218 3.715 30 20 CHED C=C[C@@H](COC)NCc1cccc(Oc2ccccc2)c1 1320425736 BISGIVYRTGBERP-INIZCTEOSA-N 283.371 3.770 30 20 CHED C=C[C@@H](COC)NCc1cc(Cl)cc(C(F)(F)F)c1 1320495169 BWSYAWGNRXPYEY-LBPRGKRZSA-N 293.716 3.649 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H]2CCCC[C@@H]2C1 1322450282 VEEJDNHTDBOFHP-UONOGXRCSA-N 272.367 3.709 30 20 CHED N#Cc1ccnc(/C=C/c2cc(Cl)cc3c2OCC3)c1 1323546251 UBFLDTIBKGLFLL-OWOJBTEDSA-N 282.730 3.712 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NC/C=C/C1CC1 1326240111 NOPHUEYLSKWCNN-OWOJBTEDSA-N 285.297 3.763 30 20 CHED C=CC(C)(C)CC(=O)N(CCCC)c1ccccn1 1333662792 QIZOPABPKNAYBG-UHFFFAOYSA-N 260.381 3.817 30 20 CHED C=C(C)CCC(=O)NCC[C@@H](C)c1ccc(OC)cc1 1336974727 VHLQHNBWVUPSGR-CQSZACIVSA-N 275.392 3.661 30 20 CHED C=C1CCC(C(=O)OCc2ncoc2C(C)C)CC1 1337555747 PSWZAJQWWBJBRY-UHFFFAOYSA-N 263.337 3.588 30 20 CHED Fc1ccc(CNN=Cc2c[nH]c3cccc(F)c23)cc1 1341342642 RPAIBEQGLGWRQO-UHFFFAOYSA-N 285.297 3.570 30 20 CHED CCCc1ncc(-c2nnc(-c3ccc(C#N)cc3)o2)s1 1341533426 WNROBIGDHOGFOZ-UHFFFAOYSA-N 296.355 3.684 30 20 CHED CC1(C)CCC[C@@H]1c1nnc(COc2ccccc2C#N)o1 1346640580 YMVOSVLXVITKJY-CYBMUJFWSA-N 297.358 3.814 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)Oc1ccc(C#N)cc1 1348087607 QMXVXSKHSVEMFX-UHFFFAOYSA-N 294.354 3.858 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)c1cc(C#N)ccc1F 1348428850 APZFAWLGQPGWTM-GFCCVEGCSA-N 294.329 3.679 30 20 CHED C=CCC1(NC(=O)[C@H](C)OC2CCCCC2)CCCC1 1351094276 CBSRZJAHELXQJY-AWEZNQCLSA-N 279.424 3.729 30 20 CHED CSc1cccc(NC(=O)c2csc(C#N)c2)c1C 1357842425 FHZWIXHBHSDEDN-UHFFFAOYSA-N 288.397 3.902 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C#N)c1C 1358365248 KQVVQYQXLADUPZ-RHSMWYFYSA-N 284.403 3.955 30 20 CHED CCc1ccc(F)cc1C(=O)N1CCCC(C)(C)[C@H]1C#N 1436159890 KRTUDXSMPITYPR-OAHLLOKOSA-N 288.366 3.542 30 20 CHED Cc1cccc(C)c1CN(C)c1cccc(F)c1C#N 1458659691 VQJXDFSRDJGFOE-UHFFFAOYSA-N 268.335 3.951 30 20 CHED N#Cc1cc(Cl)ccc1S[C@H]1CCSC1 1458968286 JODCZLOXEJYXRK-JTQLQIEISA-N 255.795 3.809 30 20 CHED COc1cc(CSc2ccc(C#N)cc2Cl)on1 1458992639 CWUIISHGFRXHED-UHFFFAOYSA-N 280.736 3.501 30 20 CHED N#Cc1sccc1C(=O)Nc1cccc(F)c1Cl 1459864085 PLZNRHHUWITCKB-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1cc(C)nc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)c1 1462061055 SCDFRKMZTJARGY-UHFFFAOYSA-N 299.761 3.500 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)Nc1cc(C#N)ccc1F 1466788479 IWMOBIXJJWPVQD-CQSZACIVSA-N 289.354 3.788 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)NCc1ccc(C#N)cc1 1468955643 RXVFSCYAPBCGCX-QGZVFWFLSA-N 299.418 3.668 30 20 CHED COc1cc(Oc2nc3cccc(F)c3o2)ccc1C#N 1472771543 DCQIBSRVPWVFAE-UHFFFAOYSA-N 284.246 3.639 30 20 CHED N#Cc1ncccc1SCc1cccnc1C(F)(F)F 1473031315 ROAUPDLGPVZAKX-UHFFFAOYSA-N 295.289 3.659 30 20 CHED N#Cc1cc2c(nc1OCc1ccccc1)CCCCC2 1473076318 UGJVSANWJQNMMH-UHFFFAOYSA-N 278.355 3.801 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1csc(C#N)c1 1515340361 YEPXLPWCKVBUOP-UHFFFAOYSA-N 286.356 3.659 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Nc2ccccc2)cn1 1533533526 QSWFVDJBHPWJMZ-KRWDZBQOSA-N 294.358 3.704 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N(C)c1ccccc1C#N 1533822296 VMOHRARVYJBTPE-AWEZNQCLSA-N 278.355 3.633 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CC3CCC2CC3)s1 1534646110 FVFGGZSEKRPDTL-QIMFLAQGSA-N 288.416 3.947 30 20 CHED C[C@@H](CNc1nc(C#N)c(Cl)s1)c1ccccc1 1612233900 AOYWIMHSIYDNCT-VIFPVBQESA-N 277.780 3.884 30 20 CHED Cc1ccc2c(c1C)N(CCC(C)(C)C#N)CCC2 1618590853 AUQCWTWUFVQYNE-UHFFFAOYSA-N 256.393 3.996 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1Nc1nc(C#N)c(Cl)s1 1640004880 SPPYFFMWOBSMFT-GZMMTYOYSA-N 255.774 3.515 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1645111184 MJVIJNNFEKYVLT-NEPJUHHUSA-N 270.376 3.960 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1CC1(CC#N)CC1 1652689761 OHFNEPBIDOKINP-KRWDZBQOSA-N 268.404 3.936 30 20 CHED N#Cc1c(Cl)nsc1NC[C@@H]1CCC[C@H]1C1CC1 1655567663 XLCVSDMWFOEOMD-UWVGGRQHSA-N 281.812 3.906 30 20 CHED C[C@H]1CC[C@H](c2ccccc2)N(Cc2cc(C#N)ccn2)C1 1658598121 VZCYJIJFFUTEQH-HNAYVOBHSA-N 291.398 3.926 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1sccc1C#N 1663159712 PQOHWFGPKDTJHX-UWVGGRQHSA-N 265.382 3.566 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(F)cc(OC)c1 1663717666 QLRYXEOFVRKDBF-UHFFFAOYSA-N 292.398 3.986 30 20 CHED C=C(CNC(=O)N[C@H](C)C[C@H](C)CC)c1ccccc1 1669519101 VWBUGFPDYRVQBG-UKRRQHHQSA-N 274.408 3.824 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(F)cc(C#N)c1 1672407218 UPRGYKBPHZBKDY-WFASDCNBSA-N 289.354 3.788 30 20 CHED C[C@H](NC(=O)NC[C@H]1CCCC1(C)C)c1ccc(C#N)cc1 1676107688 BHWYOODJPPUQIM-XJKSGUPXSA-N 299.418 3.745 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Nc2sccc2C#N)c1 1678968485 HSNYWVDHLURQQD-UHFFFAOYSA-N 285.372 3.905 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CC[C@H](CC)C1 1760375139 GCKGOEYYZDWJAK-LBPRGKRZSA-N 294.830 3.534 30 20 CHED CCCCCCC=NNc1ccc(C(=O)O)c(F)c1 1776074769 SSXBAGMJMKDWDC-UHFFFAOYSA-N 266.316 3.892 30 20 CHED Cc1c(NN=C2C[C@H]3CC[C@@H](C2)C3)cccc1C(=O)O 1776088723 FAKPUCFLUYHKKK-TXEJJXNPSA-N 272.348 3.671 30 20 CHED O=C(O)c1ccc(C=NNc2ccc(F)cc2Cl)cc1 1776106627 NQIGIYSTYWFMHU-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=CCCCCCCCNc1cc(C(=O)O)ccn1 1776172852 RIHNTUSOAWTMKT-UHFFFAOYSA-N 262.353 3.718 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 41130449 PHCMOQPQXAYGDT-LBPRGKRZSA-N 282.318 3.830 30 20 CHED CCC(C)(C)C1CCC(NC(=O)N(C)C[C@@H](C)C#N)CC1 43863174 HFICYFQXBJMPBZ-NFOMZHRRSA-N 293.455 3.782 30 20 CHED Cc1ccccc1NC(=O)Nc1ccc(C#N)cc1 45027171 MCCSYGLSRZQLEQ-UHFFFAOYSA-N 251.289 3.511 30 20 CHED N#Cc1cc2c(nc1N1CCCCCCC1)CCCC2 49957030 DGXYGIHCQPCGQL-UHFFFAOYSA-N 269.392 3.603 30 20 CHED C=CCN(CC=C)C(=S)Nc1c(C)cccc1C 57435000 BPVJCMINHVPWEV-UHFFFAOYSA-N 260.406 3.674 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCc2ccc(OCC#N)cc2)o1 69752920 FRUYHFKGXVWNGP-SUMWQHHRSA-N 296.370 3.595 30 20 CHED CCCCCC[C@H](C)NC(=O)Cc1ccc(C#N)cc1 70159019 FEGDLIKCTQBYSQ-AWEZNQCLSA-N 272.392 3.576 30 20 CHED CC(C)[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 71029246 OYGMQBJJCLNGMD-KRWDZBQOSA-N 256.393 3.816 30 20 CHED C=C(C)CN(CC)C(=O)CCC(=O)c1ccc2c(c1)CCC2 73419005 PMZWXJKDHMPUHF-UHFFFAOYSA-N 299.414 3.563 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1 75297687 VOOMYACSLLCOEP-ROUUACIJSA-N 290.366 3.599 30 20 CHED C=CCCNc1ccc(C(=O)Nc2ccccc2)cc1 77245656 XMNGALATXQXXES-UHFFFAOYSA-N 266.344 3.927 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C(F)(F)F)cc1 79347677 QPKLKGSQZXXDKT-UHFFFAOYSA-N 287.281 3.627 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(Cl)cn2)cc1 81323600 ANEAIPADXLQALP-UHFFFAOYSA-N 289.718 3.519 30 20 CHED C[C@@](C#N)(NC(=O)c1cc2ccccn2c1)C1CCCCC1 81408463 AIMJVZKQONVFPE-SFHVURJKSA-N 295.386 3.532 30 20 CHED CC(C)(C#N)CCNc1cccc(Br)c1 83637854 MOPVAVDIAIGYQF-UHFFFAOYSA-N 267.170 3.801 30 20 CHED CC(C)(C#N)CC[S@](=O)c1ccc2ccccc2c1 87611252 VXRJLEXMIWAHCO-LJQANCHMSA-N 271.385 3.887 30 20 CHED COc1ccc(CN2CCC[C@H]2C2CCCC2)cc1C#N 87833341 KAOURMGICADUQU-KRWDZBQOSA-N 284.403 3.721 30 20 CHED CCC(CC)CN(CCC#N)Cc1nc(C)cs1 88603233 QRJFZXCRUTYJDI-UHFFFAOYSA-N 265.426 3.603 30 20 CHED C[C@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C 93480920 WQIOBLGWHILZSA-HOTGVXAUSA-N 285.435 3.514 30 20 CHED N#Cc1ccncc1NCCCSc1ccccc1 94133855 GKCPWZMWMIYWLH-UHFFFAOYSA-N 269.373 3.548 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)o2)cc(Cl)c1O 96920982 UZBSCOUUPHLFIW-PLNGDYQASA-N 292.718 3.852 30 20 CHED C=C(C)COC(=O)c1ccc(SC(F)F)cc1 97028043 JFVAKICWJKARBD-UHFFFAOYSA-N 258.289 3.734 30 20 CHED CCCCCCCc1[nH]c2ccccc2c(=O)c1C=O 100018124 YDGMJDFKESRTIZ-UHFFFAOYSA-N 271.360 3.854 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)cc1)c1ccccc1F 102600716 JGQGOLHFPQYAGO-GFCCVEGCSA-N 282.318 3.830 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1C 105311270 PPAGLAZXMAEQKM-GOEBONIOSA-N 272.392 3.573 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)C1CCCCC1 110011713 AZNASCDTRZVXFH-GOSISDBHSA-N 284.403 3.598 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CC1CC1 112722594 ROXYCWNUADUMJG-LBPRGKRZSA-N 278.421 3.634 30 20 CHED N#Cc1ccc(COC(=O)c2coc3ccccc23)cc1 113495794 SXMXBLCWKVMZQV-UHFFFAOYSA-N 277.279 3.661 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1c(C)noc1C 113834562 QXCXFXFZDTVHJY-LLVKDONJSA-N 266.385 3.829 30 20 CHED C=CCC[C@H](N[C@@H](C)C[C@H](O)c1cccs1)C1CC1 121164419 WGXJDXSVRGQILD-QEJZJMRPSA-N 279.449 3.895 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(COCC)cc1 122885402 BDUPWYFNCCROAW-UHFFFAOYSA-N 287.403 3.608 30 20 CHED C[C@]1(CNc2cc(C#N)ccc2C(F)(F)F)CCCO1 126828300 KNGZDIVJMWSDIJ-CYBMUJFWSA-N 284.281 3.558 30 20 CHED C=CCCSc1nnc(NCc2ccc(F)cc2)s1 128710196 ODLMKRBUJJWLON-UHFFFAOYSA-N 295.408 3.958 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1cccc(F)n1 134123455 HIFQRDORLXWVGK-UHFFFAOYSA-N 291.351 3.502 30 20 CHED CC(C)C(=O)Nc1cccc(OCCCC(C)(C)C#N)c1 135503213 OLLMJUYXRIHKPG-UHFFFAOYSA-N 288.391 3.990 30 20 CHED C=CCCSCC(=O)N[C@H](C)c1ccc(C)c(C)c1 151977830 YDFRUQHEJCOHQU-CQSZACIVSA-N 277.433 3.790 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1c(F)cc(C#N)cc1F 152265911 ZMKAILILKPJDQA-JTQLQIEISA-N 294.345 3.781 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)no1 152980234 OVZMKHBVZVKXMF-UHFFFAOYSA-N 289.722 3.575 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@@H](CCC#N)c2ccccc2)C1 153451554 CIPLVZZAAQSMEM-OIISXLGYSA-N 284.403 3.974 30 20 CHED Cc1cccc2[nH]cc(CC(=O)O[C@@H](C#N)C(C)(C)C)c12 154187614 ZJRUCVMOELIKIX-AWEZNQCLSA-N 284.359 3.500 30 20 CHED CC(C)CCN(CCC#N)c1nc2cc(F)ccc2o1 154238703 HTWYDVJQQHKYMO-UHFFFAOYSA-N 275.327 3.733 30 20 CHED COC(=O)Nc1ccccc1OCCCC(C)(C)C#N 158130167 SKAKQBZNGDIOIP-UHFFFAOYSA-N 276.336 3.574 30 20 CHED C#Cc1cccc(NC(=O)c2cc(Cl)ccc2C)c1 163338453 UUQVNVURJPJSLE-UHFFFAOYSA-N 269.731 3.882 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2ccc(CC#N)cc2)C1 164483038 DTFOUVBJBFEAMA-GXTWGEPZSA-N 256.349 3.517 30 20 CHED N#Cc1ccc(NCCC2CC2)c(Br)c1 168564764 RJNJCPYGDRGPSH-UHFFFAOYSA-N 265.154 3.533 30 20 CHED N#CCCCC[S@](=O)Cc1cccc2ccccc12 170978412 SLMZRAQMOOOQDP-IBGZPJMESA-N 271.385 3.782 30 20 CHED N#Cc1ccc(CC(=O)Nc2cc(F)ccc2Cl)cc1 171081493 YBVGYIPCYYZGEG-UHFFFAOYSA-N 288.709 3.532 30 20 CHED Cc1ccccc1CC(C)(C)NCc1ccc(C#N)o1 174358608 CBPCWKUCUQAWTI-UHFFFAOYSA-N 268.360 3.571 30 20 CHED N#CCC1(COC(=O)/C=C/c2nc3ccccc3s2)CC1 174744632 FTNUEYYLRXMPMD-AATRIKPKSA-N 298.367 3.547 30 20 CHED Cc1cc(C)c(C(=O)[C@H](C#N)c2nc3ccccc3o2)o1 175122972 XCGWTXFNCMGFKG-NSHDSACASA-N 280.283 3.528 30 20 CHED N#Cc1cccc(CNc2ccc3c(c2)C(=O)CCC3)c1 175151782 SPJIKPGUKRKMER-UHFFFAOYSA-N 276.339 3.689 30 20 CHED C[C@H](OC(=O)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 175790979 XIVDADZWEBKRFR-JTQLQIEISA-N 287.265 3.754 30 20 CHED CCCCCCC[S@@](=O)Cc1nc(C)c(C)s1 178060050 ATGVMBPOOCHIMJ-QGZVFWFLSA-N 273.467 3.979 30 20 CHED CC[C@@H](C#N)NC(=O)CCCc1ccc2ccccc2c1 180158557 SJJCTBBOAAEGOK-KRWDZBQOSA-N 280.371 3.581 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1cc(F)ccc1F 180613241 IYRIGKFRCQJFSV-LLVKDONJSA-N 266.287 3.763 30 20 CHED CC[C@@H](NC[C@@H](C#N)CCC#N)c1cccc(Cl)c1 182586200 ICBATIDTARCRHM-IUODEOHRSA-N 275.783 3.824 30 20 CHED Cc1csc([C@@H](C)CNc2nc(C)cc(C)c2C#N)n1 182591896 DBENPCQYBSGODS-JTQLQIEISA-N 286.404 3.551 30 20 CHED CC[C@H](C)CN(C)c1ccc(F)cc1CNC[C@@H](C)C#N 183830714 RJUHARRRKIXVRK-KBPBESRZSA-N 291.414 3.557 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 184637765 WVIWPCKAAGHNRY-NEPJUHHUSA-N 297.320 3.632 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 185130919 KIDSYFQPLROZFW-NSHDSACASA-N 295.329 3.515 30 20 CHED C=C(C)[C@@H](N[C@H](C)[C@H]1CCOC1)c1ccc(F)c(F)c1 186450852 YRMXJAVWXVCBMV-PVXIVEMSSA-N 281.346 3.597 30 20 CHED CC(C)c1cccc(NC(=O)Nc2ccn(CCC#N)n2)c1 186534219 ZNXCGWNCFKGMBS-UHFFFAOYSA-N 297.362 3.564 30 20 CHED N#Cc1cccc(C[S@](=O)CCCCc2ccccc2)c1 187095690 KSOSRETXDCPEQW-OAQYLSRUSA-N 297.423 3.830 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CNCc1ccc(OCC#N)cc1 187213138 KOJVRMDWJWVYLG-CRAIPNDOSA-N 284.403 3.671 30 20 CHED CC(C)(C#N)C(=O)NCC1(Cc2ccccc2)CCCCC1 187354707 NYBNCGZLNURBNV-UHFFFAOYSA-N 298.430 3.846 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2cccc(F)c2C#N)CC1 188021630 LVXUVNDAUOVHKV-ZDUSSCGKSA-N 288.366 3.596 30 20 CHED C=CCn1c(S[C@@H](C)CCC#N)nnc1-c1ccccc1 188186339 CLOMVYLRIIORJG-ZDUSSCGKSA-N 298.415 3.915 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1cc(C)sc1C 188547264 HIJVDHXNXWJCOA-OAHLLOKOSA-N 282.405 3.637 30 20 CHED C=CCC1(C(=O)N2CCS[C@@H]3CCCC[C@H]32)CCC1 189140122 VZXSSWZJPGAKPR-ZIAGYGMSSA-N 279.449 3.619 30 20 CHED C=CCSCCNC(=O)Nc1cc(Cl)ccc1C 194597406 OJLBMNOSUGXVQA-UHFFFAOYSA-N 284.812 3.689 30 20 CHED C=C(C)[C@@H](N[C@@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1 195121064 YVHVAIYHVWJOLG-HFBAOOFYSA-N 281.346 3.597 30 20 CHED CSC1(CNc2ccc(Br)cc2C#N)CC1 227991358 XMTWETLLFOHUSP-UHFFFAOYSA-N 297.221 3.628 30 20 CHED C[C@H]1CCC[C@@H](CNCc2ccc(N(C)CCC#N)cc2)C1 237521956 OWIIEMAETDIXKN-FUHWJXTLSA-N 299.462 3.952 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)C1CCCCC1 248325189 BCIMSOKXOBHGOD-RCCFBDPRSA-N 296.414 3.687 30 20 CHED CC(C)c1ccc(N=Cc2cccc(O)c2O)cc1 254302247 FIVFIKJDKMCSFD-UHFFFAOYSA-N 255.317 3.972 30 20 CHED COCc1cccc(N=Cc2cc3ccccc3nc2O)c1 255394045 ICFQKOPRLXPVMC-UHFFFAOYSA-N 292.338 3.837 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CC#N)cc1 267626733 WCBYWDQOORKWRV-FRFSOERESA-N 297.402 3.938 30 20 CHED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCCCC#N 268834090 CZYYSZAKWMJBEB-LBPRGKRZSA-N 284.325 3.920 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C(C)=O)c(C)c1)OCC 270414596 LUECDJLAXRSBNB-INIZCTEOSA-N 289.375 3.507 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)CCO1 270684787 DFDAFUREJCMNBN-MFKMUULPSA-N 293.798 3.612 30 20 CHED COc1cccc(C2(NCCCC(C)(C)C#N)CC2)c1 271735983 UKVODWYEYNRAMJ-UHFFFAOYSA-N 272.392 3.604 30 20 CHED C[C@H](CNCc1ccc(OCC#N)cc1)c1ccc(F)cc1 272092736 OOWULDXOOWIRDS-CQSZACIVSA-N 298.361 3.621 30 20 CHED C=CCC[C@H](C)NC1CCC(Oc2ccc(C#N)cn2)CC1 273542122 YMSDPZZELUMISC-OOHWJJMZSA-N 299.418 3.588 30 20 CHED C=C(C)[C@@H](Cc1nc(CC2CCCCC2)no1)OCC 273832331 KKIXAHIJHSWCME-CQSZACIVSA-N 278.396 3.716 30 20 CHED C=CCCCCNC(=O)[C@@H](C)c1c(F)cccc1F 274436635 CQFPQKVTUDPWOH-NSHDSACASA-N 267.319 3.541 30 20 CHED C=CC[C@H](C(=O)NCC1CCSCC1)c1ccccc1 275018679 LZXPOUPNTNRROD-INIZCTEOSA-N 289.444 3.606 30 20 CHED C[C@]1(c2ccccc2)CCCN([C@H]2CC[C@H](C#N)C2)C1 278553777 HQTFVJXEOVYAGA-SZMVWBNQSA-N 268.404 3.732 30 20 CHED CC[C@@H](NCC1(CCOC)CCC1)c1ccc(C#N)cc1 278707885 LJRRWAQFXFEMAJ-QGZVFWFLSA-N 286.419 3.806 30 20 CHED C=CCN(C(=O)C[C@H](C)c1c[nH]c2ccccc12)C1CC1 278864357 YNGPEDXLPOJVHC-ZDUSSCGKSA-N 282.387 3.839 30 20 CHED C=CC[C@@H]1N(C(=O)CC(C)(C)C#N)CCCC1(C)C 278865283 UTCVGQUAHLTFJR-ZDUSSCGKSA-N 262.397 3.520 30 20 CHED C=CCC[C@@H](NCc1cccc2c1OCO2)c1ccco1 278932357 LIEAAQHGMBQBRC-CQSZACIVSA-N 285.343 3.805 30 20 CHED CC[C@H](NCCc1cccc(C)n1)c1ccc(C#N)cc1 279925830 AJLNSMCCYRPONC-SFHVURJKSA-N 279.387 3.545 30 20 CHED Cc1nc2c(C(=O)N(CCC#N)CC(C)(C)C)cccc2o1 280559062 UVFJIRUMECIIJX-UHFFFAOYSA-N 299.374 3.538 30 20 CHED C[C@H]1c2ccccc2CCN1c1nc(Cl)c(C#N)s1 288206865 CWBQLLKUJWZHKC-VIFPVBQESA-N 289.791 3.792 30 20 CHED C[C@H](SCCC(C)(C)C#N)C(=O)Nc1cccc(F)c1 289331240 CSWMUJDJSFBLRO-NSHDSACASA-N 294.395 3.826 30 20 CHED N#Cc1c(Br)cccc1NC1CC(F)(F)C1 290877571 BOXPECGMMKKPPV-UHFFFAOYSA-N 287.107 3.530 30 20 CHED N#Cc1cccc(CNc2ccc([C@H]3CCOC3)cc2)c1 292985850 LQZODRMDWJELMV-KRWDZBQOSA-N 278.355 3.674 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc(Cl)c(F)cc1Cl 293052939 KXVGWGFTSILHML-ZETCQYMHSA-N 289.137 3.507 30 20 CHED C#CCN(C(=O)Nc1cc(C)c(C)cc1Cl)C1CC1 296943815 FYZKSYUDDPJVON-UHFFFAOYSA-N 276.767 3.586 30 20 CHED CCCCCCCCC(=O)N(CC)Cc1cnn(C)c1 299292650 JVFOXNQBQWPETG-UHFFFAOYSA-N 279.428 3.519 30 20 CHED N#Cc1ccc(NCC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 301077855 KWMQAPKGFSCOBL-UHFFFAOYSA-N 293.326 3.610 30 20 CHED C[C@@]1(CNc2ccc(C#N)c(Cl)c2)CCCC[C@H]1O 301484257 GNJVBCMDMXLEGV-CABCVRRESA-N 278.783 3.565 30 20 CHED CCCC[C@H](COC)Nc1ccc2cc(C#N)ccc2n1 301957097 ADRKLXLBAXYUQF-OAHLLOKOSA-N 283.375 3.724 30 20 CHED Cc1nc2c(c(Sc3cccc(C#N)c3)n1)CCCC2 302121562 YDJOOKDRXKGHKJ-UHFFFAOYSA-N 281.384 3.687 30 20 CHED N#Cc1c(Cl)nsc1Sc1cccc(O)c1 302126121 IILWTBSFEDLHHX-UHFFFAOYSA-N 268.750 3.525 30 20 CHED C[C@@H](CNc1c(Cl)cccc1C#N)c1nccs1 302155546 WAGYTNIRHGVOAH-VIFPVBQESA-N 277.780 3.884 30 20 CHED C#CCCOC(=O)c1sccc1-c1ccc(C)cc1 303114210 CQSUWMWCMHCMPQ-UHFFFAOYSA-N 270.353 3.904 30 20 CHED CCC[C@H](NCc1ccc(C#N)cc1C)C1CCC1 325027066 KRPZZRMBPRRIQT-KRWDZBQOSA-N 256.393 3.925 30 20 CHED C[C@@H]1CCCC[C@H]1C/N=C(/O)c1ncoc1C1CC1 328869102 XRCAZEHYYPPTQR-PWSUYJOCSA-N 262.353 3.683 30 20 CHED Cc1noc(C)c1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329034668 QUTJVHOUOPURGT-BFHYXJOUSA-N 276.380 3.955 30 20 CHED C[C@H](/N=C(/O)C[C@@H]1CCCC(O)=N1)[C@@H]1C[C@H]2CC[C@H]1C2 329462816 QGWCTBCDYCMVBN-PEDHHIEDSA-N 278.396 3.667 30 20 CHED CC[C@@H]1CCCC[C@@H]1N/C(O)=N/Cc1sc(C)nc1C 330934251 HTYHINWXFOYODE-OLZOCXBDSA-N 295.452 3.732 30 20 CHED CC(C)Oc1cncc(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)c1 331089173 ULOWYORTALLGSG-CHWSQXEVSA-N 276.380 3.610 30 20 CHED Cc1cccc([C@H]2CCCCN2/C(O)=N/CCC#N)c1C 331129006 FSSSJAKNTCFNJU-MRXNPFEDSA-N 285.391 3.658 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC2(CCC2)[C@H]1C1CC1 335305314 FHKJAXCQVFBBOL-MRXNPFEDSA-N 295.386 3.663 30 20 CHED Cc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cn1 336330955 ZHTBAPAJNDKIHE-LLVKDONJSA-N 255.296 3.574 30 20 CHED C=CCCC(=O)Nc1cccc(OCc2ccccn2)c1 338604314 RKSFHPLMHQZZDU-UHFFFAOYSA-N 282.343 3.565 30 20 CHED COc1ccc(C)cc1[C@H](C)Nc1cc(C#N)cc(C)n1 341351974 VFFFUOHRZDZYGC-ZDUSSCGKSA-N 281.359 3.752 30 20 CHED C[C@@H]1CCC[C@@H](C)N(c2nccc(C#N)c2Cl)C1 342350952 QFRJWGKIPBYOHO-GHMZBOCLSA-N 263.772 3.622 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 342386375 PENLLFQAJHFHAC-AWEZNQCLSA-N 290.407 3.819 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@H](c3cccc(F)c3)C2)c1 343043837 UFFAGQCYMDZKJL-HOCLYGCPSA-N 281.334 3.841 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccnc(SCC)c1 343243724 AJTLIKXHWNPSFA-LBPRGKRZSA-N 278.421 3.668 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(F)cc2C#N)cc1 343533838 CUODNQWDYXAMGY-UHFFFAOYSA-N 298.361 3.728 30 20 CHED CC1(C)C[C@@H]1NC1CCC(C#N)(c2ccccc2)CC1 343647361 WBKFXSQLQXYNIC-PQUAAJSLSA-N 268.404 3.779 30 20 CHED CCSc1cc(C(=O)Nc2ccc(CC#N)cc2)ccn1 344716883 MJMUIMFZNLYTRR-UHFFFAOYSA-N 297.383 3.512 30 20 CHED C=CCCC1(c2nc(-c3ccc(NC(C)=O)cc3)no2)CC1 345858384 YVLNEDIAEREWRW-UHFFFAOYSA-N 297.358 3.693 30 20 CHED CC(C)C1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 346131745 HTFZMRNUOGPJQF-LBPRGKRZSA-N 260.356 3.784 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc3ccccc3c2)C1 349827241 HREWWPKLJWZMLU-DYVFJYSZSA-N 250.345 3.622 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 352103081 YAJPNYOZFMETOQ-QAPCUYQASA-N 284.403 3.855 30 20 CHED C=C1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 354388398 NBSYHHJGBOQWSG-UHFFFAOYSA-N 295.835 3.752 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)Cc2nc(C#N)cs2)c1 356057872 FVUYATJGCPYZBJ-ZDUSSCGKSA-N 285.416 3.825 30 20 CHED C=CCOc1cccnc1-c1nc([C@@H]2CCC[C@@H](C)C2)no1 356190994 JMXXIUMHHKNBOR-CHWSQXEVSA-N 299.374 3.990 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)c1cc2cccc(F)c2o1 359691941 ABJSFPVNYRUPGX-LLVKDONJSA-N 297.333 3.633 30 20 CHED C=CCN(Cc1cccs1)C[C@@H]1CCC(C)(C)O1 359856291 UVZSEJZKCXMUPF-ZDUSSCGKSA-N 265.422 3.694 30 20 CHED COc1ccccc1[C@@H](C)NCc1ccc(C#N)c(F)c1 361863314 VHKWGZBTBHFRFF-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=CCN(CC=C)C(=O)c1cccc2ccsc12 362230275 MNFSSOIZRWTSNT-UHFFFAOYSA-N 257.358 3.716 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@@H](C2CC2)C1 362394697 AZTOFJVPFPAVRA-CQSZACIVSA-N 287.428 3.837 30 20 CHED N#Cc1ccncc1NC[C@@H](c1ccccc1)C(F)(F)F 362681764 SLOXLSLGHQZHPM-ZDUSSCGKSA-N 291.276 3.711 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCCc2c[nH]nc21 374444701 TTWQJPZMCWHDHH-AWEZNQCLSA-N 277.412 3.654 30 20 CHED C=CCCCCN[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 380946413 OZQKADSLIHQRSX-FUHWJXTLSA-N 272.436 3.595 30 20 CHED C[C@H]1CSC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 381668012 PJNCAXPVMCDBHB-UFBFGSQYSA-N 286.322 3.740 30 20 CHED C=C(C)CCN[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 387410414 MEROCTYHTGTDOQ-AWEZNQCLSA-N 296.455 3.578 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1cccc(C#N)c1F 395876121 ANMOTEHOUOKKNS-HNNXBMFYSA-N 260.356 3.708 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cn(CC)c2ccccc12 410132787 YEIOISATTSULIB-OAHLLOKOSA-N 284.403 3.675 30 20 CHED C=CCC(C)(C)C(=O)Nc1cncc(Cl)c1Cl 410683618 MBDBLXVSOXONMI-UHFFFAOYSA-N 273.163 3.929 30 20 CHED CCCc1cc(C(=O)N(C)[C@@H](C#N)CCC)sc1C 410823493 AIFHOZPSHCCPLL-CYBMUJFWSA-N 278.421 3.773 30 20 CHED CC1(CC(=O)Nc2cccc(OC(F)(F)F)c2C#N)CC1 411108705 DTTAUWKWSKJPHI-UHFFFAOYSA-N 298.264 3.586 30 20 CHED Cc1cc(C)c(C#N)c(S[C@H]2CCOC(C)(C)C2)n1 412978981 PHTOESNHZJSUBS-LBPRGKRZSA-N 276.405 3.620 30 20 CHED CC[C@@H](C)C[S@@](=O)CCC1(C#N)CCCCC1 414243005 JCVKNZMRQVGRQU-DYVFJYSZSA-N 255.427 3.645 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1c(Cl)oc2ccccc12 417621741 FWIWABAIXZZFQF-JTQLQIEISA-N 293.750 3.595 30 20 CHED C=C[C@@H](CCC(=O)O)NCC1CCC(CCC)CC1 417625044 LMDSPAWRLFEHEC-NRXISQOPSA-N 267.413 3.602 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)CSCC1(C#N)CCC1 419580130 KOLNWZSPAMVVEP-CQSZACIVSA-N 296.480 3.744 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N2CCc3c(C#N)cccc32)C1 421652755 UNAIHJRJELRQBX-KGLIPLIRSA-N 282.387 3.664 30 20 CHED CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2nc(O)oc2c1 424324538 KDIKXVFREBYTJI-GHJWDPDVSA-N 299.374 3.512 30 20 CHED CC[C@](C)(C#N)c1nc(-c2occc2C(C)C)no1 426220990 VXTIOEDGSCKQKN-CQSZACIVSA-N 259.309 3.644 30 20 CHED C=C1CCN(C(=O)c2c[nH]cc2-c2ccc(C)s2)CC1 427096623 JTFIOVWEOXLZRM-UHFFFAOYSA-N 286.400 3.844 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(-c2cccs2)on1 428040713 LYHJEHOIVBPOHM-LLVKDONJSA-N 288.372 3.584 30 20 CHED N#Cc1c(F)cccc1CN1CCC[C@@H]2CCCC[C@@H]21 428307998 XIZQRWWERIGCPF-GUYCJALGSA-N 272.367 3.852 30 20 CHED CC1(C)CCCN(C(=O)c2ccc3ccccc3c2)[C@@H]1C#N 434016613 NMOATKLGTVWGBE-QGZVFWFLSA-N 292.382 3.994 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 438390941 JLBNRVBQLJDUAF-UHFFFAOYSA-N 297.358 3.798 30 20 CHED CCc1c(C)sc(NC(=O)CCc2ccoc2)c1C#N 439753358 BEBBEEORCQBFGP-UHFFFAOYSA-N 288.372 3.655 30 20 CHED C[C@@H](NCCc1ccc2[nH]ccc2c1)c1ccc(C#N)cc1 442114923 BBFJLCNVRHABED-CQSZACIVSA-N 289.382 3.933 30 20 CHED COc1cc2nc(C)sc2cc1N[C@@H]1CC[C@H](C#N)C1 442833255 BQPJXYKPNLJVEN-WDEREUQCSA-N 287.388 3.718 30 20 CHED CC(C)CC(=O)Nc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 442877144 QYIOIFJQIZCKTK-CZUORRHYSA-N 285.391 3.775 30 20 CHED C=CC[C@H]1N(C(=O)c2ccccc2OC)CCCC1(C)C 443855537 FSZILKMOQFKSDO-MRXNPFEDSA-N 287.403 3.902 30 20 CHED CC[C@H](CC(F)(F)F)NCc1ccc(C#N)c(C)c1 443999419 SZOUMZAHGKGNSI-CYBMUJFWSA-N 270.298 3.687 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCC(C)(C)OCC 444128328 FJNJWQJZVBSYJR-UHFFFAOYSA-N 296.455 3.579 30 20 CHED CC1(C)CCCCN(c2nc(C(F)(F)F)ccc2C#N)C1 445665853 LWOFHKUAVLDRRB-UHFFFAOYSA-N 297.324 3.989 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)cs1 449913447 INUWGRDCURDFJJ-UHFFFAOYSA-N 251.395 3.875 30 20 CHED CCc1nc2c(s1)[C@H](N(C)CC1(C#N)CCC1)CCC2 450595376 KVMZOEPWLHDKQG-CYBMUJFWSA-N 289.448 3.709 30 20 CHED C=CCC1(C(=O)NCC(C)(C)CCC#N)CCCC1 451782939 ZQWDJNDXBXYZEI-UHFFFAOYSA-N 262.397 3.569 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)c1cccc(C#N)c1C 452540803 JYNJSAAGQQBTFP-ZDUSSCGKSA-N 270.376 3.731 30 20 CHED C=C(CC)CNC(=O)Cc1c(Cl)cccc1Cl 453019225 PRSLPUUIXHHLHT-UHFFFAOYSA-N 272.175 3.618 30 20 CHED CC(C)(CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccn1 453294074 QOHNGPPIDRSCSC-QGZVFWFLSA-N 291.398 3.508 30 20 CHED C=CC(C)(C)CN[C@@H](CCn1cncn1)c1ccc(C)cc1 453308744 NXZXJJIEJKADFA-KRWDZBQOSA-N 298.434 3.520 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CCSc2cc(C)c(C)cc21 453356521 LTMPROPYFMOWNH-XHSDSOJGSA-N 289.444 3.773 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1OCC1CC1 454850387 ODLGJGIWHAKKNB-UHFFFAOYSA-N 274.364 3.563 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(CC(F)(F)F)cc1 454851042 HDEUCVDGAITEMX-UHFFFAOYSA-N 286.297 3.879 30 20 CHED CC#CCCCC(=O)Nc1cc(Cl)cnc1OC(C)C 456215403 CLNVUYSNYRCFQX-UHFFFAOYSA-N 294.782 3.654 30 20 CHED C=CCC1(NC(=O)Cc2csc(CC)n2)CCCCC1 456362463 HJIGFBAFDYFBJC-UHFFFAOYSA-N 292.448 3.643 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cc(C)ccc1OC 457946372 ATQFBVKURIQKDQ-DYVFJYSZSA-N 275.392 3.783 30 20 CHED C=CCN(CC=C)C(=O)NCC(C)(C)C1=CCCC1 459148441 AQSSDYMBHASVKS-UHFFFAOYSA-N 262.397 3.507 30 20 CHED C=C(C)CN(CC)C(=O)CCc1cncc2ccccc12 462425327 DYNSFJSISYEUQZ-UHFFFAOYSA-N 282.387 3.592 30 20 CHED C=CC1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 463836606 NCRHXIKWYPBVMD-KRWDZBQOSA-N 271.404 3.851 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OCCC 465152854 RAOYNYGHAGHXAZ-SNVBAGLBSA-N 282.771 3.825 30 20 CHED C=C(C)COCCN[C@@H]1CCC[C@@H](c2ncccc2C)C1 467378527 VQGOWYLVSSQCLS-IAGOWNOFSA-N 288.435 3.599 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(Cl)cn2C)CCCC1(C)C 470296570 FFCNKUYCTHNHEK-CQSZACIVSA-N 294.826 3.885 30 20 CHED C=CCCC1(C(=O)NCCSc2ccc(C)cc2)CC1 474288914 CPKFRZQSZPDWMF-UHFFFAOYSA-N 289.444 3.950 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC(C)(C#N)C1 482633813 RKQCGJVQVYXDLT-OAHLLOKOSA-N 276.424 3.601 30 20 CHED C=CCN(CCc1ccccn1)CC1CCCCC1 484692121 WTBZCZSFHDXSJR-UHFFFAOYSA-N 258.409 3.692 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccccc1C(F)(F)F 488847579 ZWXJHABPISSYEO-ZDUSSCGKSA-N 297.320 3.815 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@@H](C)[C@H]1C)c1ccccc1 489676441 SGJHANTVLOSINQ-INMHGKMJSA-N 271.404 3.993 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 490005640 PNOAQGWRDKZSHM-JSGCOSHPSA-N 293.357 3.787 30 20 CHED Cc1ccoc1CNCc1cccc(OCCCC#N)c1 491498183 AXKUOMXDPPZUPR-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 491623023 FOOWWFAKFIMZAD-STQMWFEESA-N 298.361 3.703 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc(OC(C)(C)C)nc1 495444806 MKCZYXNGBDQRPD-UONOGXRCSA-N 276.424 3.949 30 20 CHED CC(C)c1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 499521078 UVRUYKVWCPUUES-KRWDZBQOSA-N 272.392 3.868 30 20 CHED Cc1cc(/C=C\c2nc(C(=O)O)ccc2C#N)ccc1Cl 502761553 UPGGPJQMLQSPHI-UTCJRWHESA-N 298.729 3.784 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1CCC[C@H](C)C1 505201102 LNFJOLJWZUEJDI-HOTGVXAUSA-N 278.440 3.991 30 20 CHED C=CCc1cc(CN(CC)CCCC)cc(OC)c1O 505842506 KUORYYXERUUFJY-UHFFFAOYSA-N 277.408 3.751 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC(C(C)C)CC1 508497312 KSXUCIBUKPPQQG-AWEZNQCLSA-N 290.455 3.850 30 20 CHED Cc1ccc(NC(=O)NCC#Cc2cccc(F)c2)cc1C 509376228 OFVYVQAXMVCYNM-UHFFFAOYSA-N 296.345 3.616 30 20 CHED N#Cc1cccc(C2(NCCC3CCCC3)CC2)c1 514874816 MGGKZUDCWLZGIU-UHFFFAOYSA-N 254.377 3.717 30 20 CHED C=CCC[C@H](NCCc1ccc(C)nc1)c1ccco1 515049299 PHBBGKGVSZGLKG-INIZCTEOSA-N 270.376 3.823 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 523944754 MLWQJSBRSGZJCW-BBRMVZONSA-N 290.382 3.507 30 20 CHED Cc1ccc(Nc2c(C#N)nnc3ccccc23)cc1F 525358463 UQDHWSOTSPOETC-UHFFFAOYSA-N 278.290 3.693 30 20 CHED C=C[C@@H]1OCCC[C@H]1c1nc(N(CC)c2ccccc2)no1 528222823 MMUBJSYJZBGBHB-CABCVRRESA-N 299.374 3.676 30 20 CHED N#Cc1csc(CNCCc2ccc(F)cc2Cl)c1 530879400 GXSMERYGAZJVMP-UHFFFAOYSA-N 294.782 3.745 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(-c3ccccc3)cn2)C1 532011265 WXSPNZSNOZTMNF-UHFFFAOYSA-N 291.354 3.627 30 20 CHED CC(C)COc1cccc(NC(=O)C2(C#N)CC(C)C2)c1 532321977 IABYHHSVCSIVKG-UHFFFAOYSA-N 286.375 3.600 30 20 CHED CN1Cc2ccccc2[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 535264707 GWIHLZISSUGYEW-KRWDZBQOSA-N 297.789 3.810 30 20 CHED CC[C@]1(C)CCN(c2ccc3cc(C#N)ccc3n2)C1 537873037 MKDGGPCQTIYCND-QGZVFWFLSA-N 265.360 3.733 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C1CC1)[C@H](C)C(C)C 539463118 GAYKQOKXXSEGDM-ZIAGYGMSSA-N 266.429 3.950 30 20 CHED Cc1cn(Cc2ccc(Br)cc2C)cc1C#N 539762512 UOONDBJFSMQQJR-UHFFFAOYSA-N 289.176 3.787 30 20 CHED CCN(CCC1CC1)C(=O)Nc1ccc(C#N)cc1Cl 546926520 FXMOVQNQQJAKEF-UHFFFAOYSA-N 291.782 3.866 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)Oc1ccccc1 551181488 AKZPMPFOLUKRCI-UHFFFAOYSA-N 275.392 3.563 30 20 CHED C=CCC[C@@H](NC[C@@H](C)CN1CCCCC1)c1ccco1 552037742 IDNLSTTXBSDGKO-IAGOWNOFSA-N 290.451 3.999 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H](C)C(C)(C)C)cc1 552706184 ZVAZYRXLAWPWIL-CYBMUJFWSA-N 275.392 3.550 30 20 CHED CC(C)Oc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 554075277 VXWPORNSNLKHFD-CQSZACIVSA-N 295.386 3.591 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H](C)c1cccc(C)c1 557062547 YEHYQMCZAYDZCT-ZDUSSCGKSA-N 293.370 3.651 30 20 CHED N#Cc1cc(N2CC[C@@H](CC3CC3)C2)nc2ccccc12 558989451 UAPQTFJOFKDZKS-AWEZNQCLSA-N 277.371 3.733 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H](C)CC(F)F)cc1 563359153 HQUDBQOOTOWEQI-RISCZKNCSA-N 294.345 3.563 30 20 CHED CC1(C)CCCN(C/C=C\c2ccc(F)c(F)c2)[C@@H]1C#N 564305698 YGPGBFYGTXQMIZ-OICCZTGUSA-N 290.357 3.992 30 20 CHED C=CCOCCN[C@H](c1cccc(F)c1)C(C)(C)C 564429731 WAOFQZHDANKSSS-OAHLLOKOSA-N 265.372 3.705 30 20 CHED C[C@H]1c2ccc(F)cc2C[C@@H](C)N1Cc1ccc(C#N)cn1 569468997 KZKDJKAUXCVUIJ-OLZOCXBDSA-N 295.361 3.600 30 20 CHED N#CCc1ccccc1NC(=O)C/C=C/c1ccc(F)cc1 571322280 GELCGUSFXQDQOB-ONEGZZNKSA-N 294.329 3.934 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)NCC2(C#N)CC2)CC1 572938611 SLSSDVSTHACHTR-UONOGXRCSA-N 291.439 3.584 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 573893406 FWRMVUMCCAXGKU-OLZOCXBDSA-N 290.363 3.559 30 20 CHED Cc1ccc(-n2cc(N[C@H]3CC[C@@H](C#N)C3)cn2)c(C)c1 580031604 UJVPUMIEQVHHCV-CABCVRRESA-N 280.375 3.593 30 20 CHED CCN(Cc1ccccc1C)c1nccc(C#N)c1Cl 580358438 AVZPMVLJDFVTDB-UHFFFAOYSA-N 285.778 3.942 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)C1(C#N)CCCC1 583169496 XIFUCRXNRBVIFN-KBPBESRZSA-N 276.424 3.744 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1)c1ccncc1 588386354 ITQRSSBSRFTQJD-RQOWECAXSA-N 261.683 3.770 30 20 CHED CCOc1cccc(/C=N\CCC[C@H]2CCCCO2)c1O 588457740 BMGZJPXLLMOHRO-QLENYVDCSA-N 291.391 3.559 30 20 CHED O=C1/C(=C/c2nccn2-c2ccccc2)Cc2ccccc21 588579303 LCZWJFXDVNHOQK-FYWRMAATSA-N 286.334 3.695 30 20 CHED N#Cc1c(Cl)cccc1NCC1(c2ccccn2)CC1 590697159 JQPXGAIFKPVXHH-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CC[C@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@@H]1C 591241371 RFRLPLMJRVHCJC-ZBINZKHDSA-N 262.784 3.736 30 20 CHED N#CC1(CSCCc2c(F)cccc2F)CCC1 592455117 HCFOFRBYJJQCFF-UHFFFAOYSA-N 267.344 3.934 30 20 CHED CCCC(C)(C)C(=O)N[C@H](C)c1ccc(C#N)cc1 593025304 WAJASRJOWMBBJY-GFCCVEGCSA-N 258.365 3.562 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccc(Cl)cc1 593096297 NWZDZSIAOMUIGI-LRDDRELGSA-N 292.810 3.888 30 20 CHED CC(C)(C#N)CCCCN1CCOc2cc(F)c(F)cc21 593122722 LDWPZHLEXVMOTK-UHFFFAOYSA-N 294.345 3.884 30 20 CHED CC[C@@H]1CN(C(=O)[C@@H](C#N)CC)CC[C@@H]1c1ccccc1 593498949 VIWMJEZVBZXSPW-INMHGKMJSA-N 284.403 3.578 30 20 CHED CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@H](C)C(C)C 593969255 ZJKLWZVCEVNYPB-LSDHHAIUSA-N 286.419 3.630 30 20 CHED CO[C@@H](COc1c(C#N)cnc2ccc(C)cc12)C1CCC1 594897934 XULZTLCGWLUCIP-KRWDZBQOSA-N 296.370 3.609 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)CCc2ccc(C#N)cc2)C1 595329678 AJCJEUWPBZOIDO-IAGOWNOFSA-N 288.460 3.707 30 20 CHED N#CCC1CCN(Cc2cc(F)ccc2OC(F)F)CC1 595426056 OOCGAWWXBOFOTE-UHFFFAOYSA-N 298.308 3.553 30 20 CHED N#Cc1cnnc(Nc2ccc(NCC3CCCC3)cc2)c1 596109838 KZUHNUJCTYDWHM-UHFFFAOYSA-N 293.374 3.694 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCF 597186028 DKEFWHDONKAWPY-LLVKDONJSA-N 280.368 3.769 30 20 CHED Cc1cc(C)c(NC(=O)CC2(C#N)CCCCC2)cc1O 597506235 FSMHWZNFROHBGI-UHFFFAOYSA-N 286.375 3.812 30 20 CHED Cc1c(Cl)cncc1NC(=O)CC1(C#N)CCCCC1 597704127 JPUNYCZIBAWZNA-UHFFFAOYSA-N 291.782 3.846 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 597995546 TZTCXMSNWWRPRJ-AEFFLSMTSA-N 296.414 3.889 30 20 CHED C[C@H](C#N)N(C(=O)CCC1CCCCCC1)C1CC1 598136512 HYJREVCEUACPLM-CYBMUJFWSA-N 262.397 3.640 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C#N)(CC)CC 600015119 DKDOGAIWSRUGQO-INIZCTEOSA-N 284.403 3.620 30 20 CHED CC(C)[C@H](NC[C@@H](C)CCC#N)c1nc2ccccc2[nH]1 602528828 LGRVGQNYDJSPLM-BBRMVZONSA-N 284.407 3.789 30 20 CHED CO[C@@H](CNC[C@@H](C)CCC#N)c1ccccc1Cl 602574197 SJCNHLPAWVXZHG-WFASDCNBSA-N 280.799 3.557 30 20 CHED Cc1ccc2oc(CNC[C@H](C)CCC#N)cc2c1 602710418 KHXTWSRWQZEVFI-CYBMUJFWSA-N 256.349 3.771 30 20 CHED C[C@@H](CCC#N)CN[C@H](CCc1ccccc1)C(F)F 602722388 CTZLSOJZBIQETQ-DZGCQCFKSA-N 280.362 3.782 30 20 CHED CC[C@H](NC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 608782812 ONZVJLWLBRCKCM-KRWDZBQOSA-N 299.418 3.716 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(CCC#N)Cc1ccccn1 609142777 MDVCCKDMDFWDIK-HZPDHXFCSA-N 299.418 3.540 30 20 CHED CC(C)(CCNC(=O)c1ccc(C#N)s1)c1ccccc1 610520527 JRALDCZMSAIWRS-UHFFFAOYSA-N 298.411 3.717 30 20 CHED C[C@H](NC(=O)C[C@H]1CCC[C@@H]1C)c1cccc(C#N)c1 613580115 IWMQZCRSBNELNA-KCQAQPDRSA-N 270.376 3.562 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C)c(F)c2)C1 617788080 AFGYPMHHCNDTRQ-CYBMUJFWSA-N 261.340 3.562 30 20 CHED Cc1ccc(-c2noc(/C=C\c3ccccc3C#N)n2)o1 618406642 MIVITUKBUMSBJL-CLFYSBASSA-N 277.283 3.680 30 20 CHED C=CCC1(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)CCCC1 619111908 MBFNZYBSUVBMQM-JKSUJKDBSA-N 299.414 3.804 30 20 CHED C=CCCc1noc(C2CC(OCc3ccccc3)C2)n1 651357686 UTWANNOPBSIHCD-UHFFFAOYSA-N 284.359 3.651 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)CCC2CC2)C1 661037403 KEYDHWGPVWDADC-UKRRQHHQSA-N 264.413 3.563 30 20 CHED C=CCCNC(=O)N1CCCC[C@H]1c1ccc(C)cc1 665945644 MARARFSKUUALBH-INIZCTEOSA-N 272.392 3.808 30 20 CHED C=CCC1(N[C@H]2CS[C@@H](C(C)(C)C)C2)CCOCC1 668550534 BMUYQWLYXDSDGZ-ZIAGYGMSSA-N 283.481 3.622 30 20 CHED C=C(CNC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 672482820 IMTOOPDJRYSBTH-HALDLXJZSA-N 271.404 3.888 30 20 CHED N#C[C@@H](C(=O)c1ccc(-c2ccco2)s1)c1ccccn1 675906462 DWIRQPKFSZJMIM-LLVKDONJSA-N 294.335 3.893 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCc2cc(O)ccc2C1 683722931 LYBSQUHRBWJPBW-HOTGVXAUSA-N 259.393 3.584 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@H]2CCC[C@H]21 685547173 RKJVMMVNHIEIAU-GDBMZVCRSA-N 294.402 3.510 30 20 CHED N#Cc1cc(Oc2cccc3sccc23)ccn1 705102956 FMCAJRHERZFOOZ-UHFFFAOYSA-N 252.298 3.960 30 20 CHED C=CCCC(=O)OCCCC(=O)Nc1c(C)cccc1C 726650107 MGIJVCBPPJFZIJ-UHFFFAOYSA-N 289.375 3.532 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cn1 728807334 PLCHGRMLYBVURS-UHFFFAOYSA-N 298.345 3.567 30 20 CHED CC(C)(C)c1ccc(COC(=O)c2ccc(C#N)cn2)cc1 730741475 AIEPWMVURZHQEM-UHFFFAOYSA-N 294.354 3.608 30 20 CHED CC[C@H](OC(=O)c1ccc(C=NOC)cc1)c1ccccc1 733375454 VMXBMAQNRBNYFI-KRWDZBQOSA-N 297.354 3.975 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 735534710 OMDAPRKWJHLKRH-ZIAGYGMSSA-N 264.752 3.953 30 20 CHED Cn1ccnc1C(=O)/C=C/c1ccc(-c2ccccc2F)o1 735791513 QDLPSLUDWSNIAT-SOFGYWHQSA-N 296.301 3.715 30 20 CHED CC(=NOCc1ccccc1)c1cc([N+](=O)[O-])ccc1C 739411065 FCPCAUGOSJAQNZ-UHFFFAOYSA-N 284.315 3.844 30 20 CHED COc1cccc(/C=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1O 741845417 TXDFOXBXKUGYMH-YQCHFAAASA-N 273.376 3.789 30 20 CHED CCc1nnc([C@H](C)ON=Cc2ccc(C(C)C)cc2)o1 742351187 PKSJTNBLQFTULO-LBPRGKRZSA-N 287.363 3.867 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2C)o1 742595474 MDPGQBZFAGFUIT-GFCCVEGCSA-N 268.316 3.510 30 20 CHED CC(C)Oc1ccc(C=NNc2ccc(Cl)nc2)cc1 743450179 MRMXKTIVCBQXLF-UHFFFAOYSA-N 289.766 3.968 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccncc2)c1 743478368 ZWPTWFDRYONLOL-PBHICJAKSA-N 295.386 3.613 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)CC1CCCCC1 743679003 FCPZMPNNPRSBCK-UHFFFAOYSA-N 287.378 3.758 30 20 CHED C=C(C)COC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 747521369 OGHJULYYZHZADR-OLZOCXBDSA-N 295.176 3.672 30 20 CHED C#CCN(C(=O)c1cc(C)c(F)cc1F)C1CCCCC1 748703940 QLSGPHPOBSWLAS-UHFFFAOYSA-N 291.341 3.681 30 20 CHED Cc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1 749745940 HRRKAZHKAMTZIC-OVCLIPMQSA-N 254.260 3.750 30 20 CHED COc1cccc(NN=C2CCc3c(F)cc(F)cc32)c1 752721224 SQNSMGPBEVWBPW-UHFFFAOYSA-N 288.297 3.736 30 20 CHED Clc1ccc(Cl)c(C=NNc2ccccn2)c1 753688773 IFNBUADUVAVVTP-UHFFFAOYSA-N 266.131 3.834 30 20 CHED C#CC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 753911174 WLXOVGJFKQAKAE-SFHVURJKSA-N 277.367 3.500 30 20 CHED CCCCCCCCNC(=O)Nn1cnc2ccccc21 754837752 DAGXHMGUDLLYJW-UHFFFAOYSA-N 288.395 3.650 30 20 CHED C[C@@H](CC=NNc1ccc(C(=O)O)cc1)c1ccccc1 755454716 ILFVDRUGVQAJKW-ZDUSSCGKSA-N 282.343 3.976 30 20 CHED Cc1cc(C=NO[C@H]2CCCCO2)cc(C)c1OC(F)F 755816256 DIBWJFFCJHGGIW-ZDUSSCGKSA-N 299.317 3.782 30 20 CHED C=CCN(C(=O)c1cncc(-c2ccccc2)c1)C(C)C 757574074 GDRWVANLVKULGA-UHFFFAOYSA-N 280.371 3.785 30 20 CHED C#CCCCCNC(=O)Nc1ccc2c(ccn2CCC)c1 758598248 PIKXNOSXTVKFNH-UHFFFAOYSA-N 297.402 3.976 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C(C)=C\c1cccc(Cl)c1 758937195 CFCYGQGANPVRAP-QIENPNARSA-N 276.767 3.552 30 20 CHED N#Cc1ccc(NN=Cc2ccc(F)c3cccnc23)cc1 759200886 CIUXMWJXBLZJMC-UHFFFAOYSA-N 290.301 3.692 30 20 CHED O=[N+]([O-])c1cccnc1NN=Cc1csc2ccccc12 759207127 SLPHZQBCUYPALW-UHFFFAOYSA-N 298.327 3.651 30 20 CHED Cc1cc(OC(=O)c2c(F)ccc(F)c2F)ccc1C#N 765092993 CZXDUKXIWKEVCT-UHFFFAOYSA-N 291.228 3.503 30 20 CHED COc1cccc(NN=C2CCC(C(F)(F)F)CC2)n1 766027150 NJZRQBGORZWXBJ-UHFFFAOYSA-N 287.285 3.611 30 20 CHED C#CCC(C)(C)C(=O)N(Cc1ccccc1)CC(C)C 767067094 JKGNEHBEXXLBKT-UHFFFAOYSA-N 271.404 3.721 30 20 CHED C#C[C@H](C)N(C)C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 767257825 MDRKMKNJWXFAFF-WEHUKYGOSA-N 295.304 3.589 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1cscn1 767908446 TUVWDQFJUZDVCX-UHFFFAOYSA-N 271.389 3.858 30 20 CHED CCCCCCCCNC(=O)c1cn(C)nc1C(C)(C)C 768943972 JYCRQFSVWHKUNW-UHFFFAOYSA-N 293.455 3.808 30 20 CHED O=C1/C(=C/c2cccc3nccn23)Cc2c(Cl)cccc21 769609133 XEYPYSYITPANLT-PKNBQFBNSA-N 294.741 3.810 30 20 CHED COc1cc2c(cc1/C=C/C(=O)c1ccco1)O[C@H](C)C2 769784056 ONRPUYJHPOZYER-MVIFTORASA-N 284.311 3.508 30 20 CHED O=C(/C=C/c1cscc1Cl)c1cncc(F)c1 771860923 SNTKDGBUBDZDQH-OWOJBTEDSA-N 267.712 3.832 30 20 CHED CC(CCCC(F)(F)F)=NOCc1cccnc1 774393099 HSDMUTYAJYPQFB-UHFFFAOYSA-N 260.259 3.707 30 20 CHED C=CCN(C(=O)Nc1cccc(C(F)(F)F)n1)C(C)C 775744935 ZKCBLRRHDSSUFK-UHFFFAOYSA-N 287.285 3.529 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1C[C@]12CCCc1ccccc12 776390984 ITXPHCAHXCWWKC-APWZRJJASA-N 297.398 3.764 30 20 CHED C=CCN(C(=O)Nc1nc(CCC)cs1)C(C)C 776481390 CQEBFRABLYCJAD-UHFFFAOYSA-N 267.398 3.524 30 20 CHED CCc1ccc(COC(=O)Cc2ccccc2CC#N)cc1 777165716 YHKZTFZZBBMGKL-UHFFFAOYSA-N 293.366 3.601 30 20 CHED C=CCC[C@H](C(=O)OCc1ccccn1)c1ccccc1 777402457 JKKLRIZZRXBVII-KRWDZBQOSA-N 281.355 3.875 30 20 CHED COCCCC(C)=NNc1ccccc1OC(F)(F)F 777453158 MFIWEXKFWDBMSB-UHFFFAOYSA-N 290.285 3.800 30 20 CHED CCCC(=NNc1cc(Cl)nc(N)n1)C1CCCCC1 778550329 LVEMLOSVIGNAQV-UHFFFAOYSA-N 295.818 3.861 30 20 CHED C#CC[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(C)(C)C 781555178 VTGFYLUMULPKOB-INIZCTEOSA-N 283.371 3.692 30 20 CHED CC1(C)CC[C@H](C(=O)OCc2ccc(C#N)cc2F)C1 781700631 YJEBNIKYJADCAR-LBPRGKRZSA-N 275.323 3.567 30 20 CHED C#C[C@@H](OC(=O)c1cc2cc(C)c(C)cc2o1)C1CC1 783119821 JOQZIQZKKIXLGC-CQSZACIVSA-N 268.312 3.618 30 20 CHED C=CCCCCCOC(=O)c1cc(C(C)=O)cs1 783533767 PHXOWRIPOJETLP-UHFFFAOYSA-N 266.362 3.854 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1ccc(Br)cc1 783740956 XMFSAURXNXJIMC-SECBINFHSA-N 299.237 3.700 30 20 CHED CCC1(C)CCC(=NNCCC(=O)OC(C)(C)C)CC1 783866426 SAQWBESWKVMZBK-UHFFFAOYSA-N 282.428 3.654 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(Cl)cs1 784968939 HJIVVAFYMBMXHV-UHFFFAOYSA-N 271.769 3.888 30 20 CHED C=CCCCCCOC(=O)c1coc(C2CCC2)n1 785017705 FQFKLEWNXPIRQD-UHFFFAOYSA-N 263.337 3.845 30 20 CHED C[C@H](Sc1nccn1C1CC1)c1cccc(C#N)c1 785442535 BWDRNWYXLLYCFW-NSHDSACASA-N 269.373 3.943 30 20 CHED CC[C@@H](CC#N)OC(=O)c1oc2c(F)cccc2c1C 787089334 KFRGLSWRNVUOOW-JTQLQIEISA-N 275.279 3.729 30 20 CHED CC(=NNCCCc1ccccc1)c1cnn(C(C)C)c1C 787153772 BAEQYNUOYSXIDM-UHFFFAOYSA-N 298.434 3.719 30 20 CHED Fc1cccc(NN=Cc2ccsc2Cl)c1 790159473 HFSZFHLSKWNKQI-UHFFFAOYSA-N 254.717 3.987 30 20 CHED Cc1ccnc(NN=Cc2ccsc2Cl)c1 790167303 QQMYOYNRPQMWJO-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CC[C@@H](C)NN=Cc1c(OC)ccc2ccccc12 790191030 XPNHOIWABBETQE-GFCCVEGCSA-N 256.349 3.570 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(Cl)cn1 793174985 PSPDKMMXJYGZQD-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CC(C)n1nccc1/C=C1\Cc2ccc(Cl)cc2C1=O 794946815 QWUUOJHZRRKQFF-XYOKQWHBSA-N 286.762 3.940 30 20 CHED C=C(C)COC(=O)c1ccccc1SC(C)C 796380654 VTZZPNXGZGFIFK-UHFFFAOYSA-N 250.363 3.920 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nc(C)cs1 796620059 SRNCFWMACNKNRP-FRRDWIJNSA-N 276.405 3.844 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](CC)CC=C)cc1 798937197 PAPAISOGYXRRHR-GDBMZVCRSA-N 257.377 3.704 30 20 CHED COc1ccccc1CON=Cc1ccc2ncccc2c1 799120658 YWVKERUQMZXYFZ-UHFFFAOYSA-N 292.338 3.794 30 20 CHED CC(=NNC(=S)Nc1ccccc1)c1cc(C)c(C)o1 799867233 FQNYWEIXVMQDTE-UHFFFAOYSA-N 287.388 3.607 30 20 CHED C[C@H]1CC[C@H](C=NNc2oc(C(C)(C)C)nc2C#N)C1 800811543 YLSJTGHEWGVEFL-QWRGUYRKSA-N 274.368 3.678 30 20 CHED N#CC1(CSc2nnc(C3CC3)s2)CCCC1 806590113 PPNHDSFJIJIDIS-UHFFFAOYSA-N 265.407 3.592 30 20 CHED FC(F)(F)c1cc(C=NNc2cc(Cl)ccn2)c[nH]1 807980960 FJNFQOCEUUCGRH-UHFFFAOYSA-N 288.660 3.528 30 20 CHED Cc1ccc([C@@H]2CCCC2=NN[C@H]2CCSC2)cc1 807999887 WWBAHLUMCWBPHF-GJZGRUSLSA-N 274.433 3.714 30 20 CHED C[C@H](Oc1ccccc1C=O)c1cccc(C#N)c1 808244327 VPHHVOQWAJSQIA-LBPRGKRZSA-N 251.285 3.511 30 20 CHED C[C@@H](C#N)OCCSCc1cc(Cl)nc(Cl)c1 808367534 HVGAZGJYMGIXBW-QMMMGPOBSA-N 291.203 3.550 30 20 CHED C=C(Cl)CNC(=O)CCSc1cccc(Cl)c1 808395262 HBGHNDLFWXWNPB-UHFFFAOYSA-N 290.215 3.691 30 20 CHED C#C[C@H](CC)NCc1cc(Cl)c(OCCC)c(OC)c1 809686220 BEVJLSJQAMXMTL-CYBMUJFWSA-N 295.810 3.639 30 20 CHED C=CCCCCOC(=O)c1csc(-c2ccccn2)n1 811010833 YSCNWDHYBFFVPF-UHFFFAOYSA-N 288.372 3.718 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC(C)(C)C1 811665986 WAZBTCDDGDGQHB-CYBMUJFWSA-N 260.381 3.610 30 20 CHED C=CCCCCCCCNC(=O)NCc1c(C)noc1C 811868953 YFVACIZIGCXHKJ-UHFFFAOYSA-N 293.411 3.617 30 20 CHED CC(C)OCCON=C1CC[C@@H]2CCCC[C@@H]2C1 812240683 XOJOYSNFZRERSP-UONOGXRCSA-N 253.386 3.774 30 20 CHED COc1ccc(F)cc1/C=C1\CCc2ccc(O)cc2C1=O 812242715 UGTHBWZIXYCNDK-XYOKQWHBSA-N 298.313 3.752 30 20 CHED N#Cc1csc(C(=O)Nc2cnc(Cl)cc2Cl)c1 813380292 YLKNALJQMTZXCA-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C=C(CC)COC(=O)c1cccc(F)c1Br 814508211 VVTLEGRBGDFJFH-UHFFFAOYSA-N 287.128 3.711 30 20 CHED CCc1nocc1C=NNCc1ccc(Cl)cc1Cl 814798588 MUZKXGDKMAXBPU-UHFFFAOYSA-N 298.173 3.668 30 20 CHED COc1cc(F)cc(NN=Cc2cccc(O)c2Cl)c1 814870665 NHPSXVQIPGUZKJ-UHFFFAOYSA-N 294.713 3.639 30 20 CHED CC1(C)CCCC[C@H]1NN=C1CCCC[C@@H]1CCCO 814917296 JSWKHGNEYLYCOI-GDBMZVCRSA-N 280.456 3.864 30 20 CHED CC(C)(CO)CNN=C1CCCC[C@H]1C1CCCCC1 814922839 YVELUYHRDWSMRY-HNNXBMFYSA-N 280.456 3.721 30 20 CHED CC(=NNc1nnc(-c2ccccc2)s1)C1CCC1 814947172 FINAVSJQTITTPW-UHFFFAOYSA-N 272.377 3.793 30 20 CHED CCc1ccc(C#CC(=O)Nc2c(C)cccc2C)cc1 815721420 JYVSWUMEQPWOTD-UHFFFAOYSA-N 277.367 3.856 30 20 CHED COC1(C=NNc2cc(Cl)nc(Cl)c2)CCCC1 819828871 SMJLWEGVBIRTJY-UHFFFAOYSA-N 288.178 3.745 30 20 CHED C#CCCCN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 823618528 UCCPKIMKNQDMPV-ZDUSSCGKSA-N 294.320 3.833 30 20 CHED C#CC1CCN(Cc2csc(CCC(C)C)n2)CC1 830321449 MCZKAILJIBWXTA-UHFFFAOYSA-N 276.449 3.577 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H](O)CCCCC 831814848 RUNWVGHESJJMLN-MRXNPFEDSA-N 275.392 3.685 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1cccc(C2CC2)c1 834444854 UAVQKPZFAYOJEV-KTKRTIGZSA-N 280.371 3.756 30 20 CHED C#CCO[C@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 834727046 XYZXRLLCSFASOS-GFCCVEGCSA-N 284.359 3.745 30 20 CHED CC(=NNc1nc(O)c2ccccc2n1)[C@H]1CCCC[C@@H]1C 834962042 UESWDIHIUKPXJM-AAEUAGOBSA-N 298.390 3.950 30 20 CHED FC(F)(F)COCCNN=C1CCCC12CCCCC2 834967695 OYEGCMNCPRCMIL-UHFFFAOYSA-N 292.345 3.645 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C)nc2C2CC2)c1 836616254 OXAHGEILAUFNKD-UHFFFAOYSA-N 290.366 3.525 30 20 CHED CCC(CC)[C@H](C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839051509 DSJTVYPONZFNGV-SCRDCRAPSA-N 251.370 3.684 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(N)cc2Cl)n1 843235325 ORGUXMAOFVOVPE-UHFFFAOYSA-N 277.755 3.826 30 20 CHED C[C@@H](C(=O)OCCC(C)(C)C#N)c1ccc(Cl)cc1 845334872 GDHLPTAAWJCOJX-LLVKDONJSA-N 279.767 3.927 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1cccc(C2CC2)c1 847677920 AWDBMVVNWDVOGH-AWEZNQCLSA-N 257.333 3.659 30 20 CHED N#CCOc1cc(F)ccc1NCCCC1CCC1 849315465 VYDUZONULNSXSP-UHFFFAOYSA-N 262.328 3.720 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc2ccccc2n1C 851212597 VLCVDCSTJWFHIQ-LBPRGKRZSA-N 284.359 3.663 30 20 CHED COc1ccc(/C=C/C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851214457 QPEBGWLSZPQZCI-UTSBKAFOSA-N 287.359 3.580 30 20 CHED C=CC(C)(C)CCOC(=O)c1cnc(C2CC2)s1 851299623 SGUNMHQUANHFFC-UHFFFAOYSA-N 265.378 3.780 30 20 CHED Oc1ccc2ccccc2c1/C=N\CC1SCCS1 852998722 QPKJCWFNJYSLMO-SXGWCWSVSA-N 289.425 3.770 30 20 CHED CC1(C)OCC[C@H]1NN=C1CCC(=C2CCC2)CC1 853355512 PUOURKRVFVWKSR-OAHLLOKOSA-N 262.397 3.554 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H]1C1CC1 858111824 VDOBXOPVYKRLCC-AWEZNQCLSA-N 252.402 3.541 30 20 CHED C#CC[C@@H](CCOC)NCc1ccc(Cl)cc1Cl 858331908 KLOWWNBQQUAUMS-ZDUSSCGKSA-N 286.202 3.511 30 20 CHED C#CC[C@@H](NC(=O)C[C@H](C)c1ccco1)c1ccccc1 860433492 GVFMEFHQGNOELY-GOEBONIOSA-N 281.355 3.654 30 20 CHED Cc1cccc(NN=Cc2cnc(C3CCCC3)s2)n1 863160116 RNEATUMRDVZZFV-UHFFFAOYSA-N 286.404 3.950 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2cccc(C)n2)cc1 863160205 VAZWRSACHJIVSR-ZDUSSCGKSA-N 283.375 3.990 30 20 CHED C=CCOCSc1nnc(-c2cc(C)cc(C)c2)o1 865348358 NKKGTVJVJIDYRD-UHFFFAOYSA-N 276.361 3.606 30 20 CHED COc1ccc(CNCCCCC#N)cc1C(C)(C)C 865449268 XEGXXFBLGRTEIR-UHFFFAOYSA-N 274.408 3.776 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccc(Br)cn1 866567625 SAIHJEXKVQRLOK-GHMZBOCLSA-N 283.213 3.534 30 20 CHED N#CCCCCCC(=O)Nc1nc2ccc(Cl)cc2[nH]1 874690193 BIWGXHDNIYMVMY-UHFFFAOYSA-N 290.754 3.629 30 20 CHED C=CCC[C@H](CC)Nc1ccc(N(C)C(=O)NC)cc1 883317197 XQEASBCEZKJHAD-ZDUSSCGKSA-N 275.396 3.619 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887701937 QFQLGEJBDADOAL-HUUCEWRRSA-N 298.430 3.946 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](c3ccccc3OC)C2)CC1 889092999 XEHWRSQYIOKIOL-INIZCTEOSA-N 299.414 3.758 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1cc(C#N)ccc1F 891452756 AIRLEUPCQDLFHF-UHFFFAOYSA-N 286.306 3.975 30 20 CHED C=C1CCC(C(=O)Nc2cc(F)c(F)c(F)c2F)CC1 893159165 MVYVIWRVZXYSTK-UHFFFAOYSA-N 287.256 3.928 30 20 CHED C#Cc1cncc(-c2noc(C3(CC=C)CCCC3)n2)c1 896557718 WKCLURSWYDSBNP-UHFFFAOYSA-N 279.343 3.501 30 20 CHED C=C[C@@H](Cc1nc(CCCCF)no1)c1ccccc1 897207600 KSTOZEUNSNTYEE-ZDUSSCGKSA-N 274.339 3.874 30 20 CHED C=C1CCC(C(=O)N[C@H]2C[C@H](c3cccc(OC)c3)C2)CC1 897920800 STNSMCAPNZHZIR-QAQDUYKDSA-N 299.414 3.804 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(C(=O)O)c(Cl)c1 902544555 FWCVWWKAGUXIHI-GFCCVEGCSA-N 279.767 3.579 30 20 CHED C#CCC1(C(=O)N[C@@H](CC)c2ccccn2)CCCCC1 910348612 JBSHJUALJAAFCE-HNNXBMFYSA-N 284.403 3.623 30 20 CHED CCCCCCCCCC(=O)NCc1cc(C)nc(O)c1 911085279 PZRDKRWUFVNLMH-UHFFFAOYSA-N 292.423 3.853 30 20 CHED CCC(=NNc1ccccn1)c1ccc(CC)cc1 915943866 MCDRFNANWJOOJI-UHFFFAOYSA-N 253.349 3.870 30 20 CHED C[C@H](C=NNc1nc2ccccc2n1C)c1ccccc1 915971191 HZFDIYUYGNXVJY-CYBMUJFWSA-N 278.359 3.775 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1cccs1 915978201 CJNFPCUCDXAPHR-UHFFFAOYSA-N 266.316 3.540 30 20 CHED CCOc1ccc(/C=N/Cc2cccc(COC)c2)c(O)c1 915980165 XQKRGDUARGFGIR-XDHOZWIPSA-N 299.370 3.556 30 20 CHED CCc1c(C(=O)/C=C\c2csnn2)oc2ccccc12 915986206 ZRFYKYPGHYMBOD-FPLPWBNLSA-N 284.340 3.743 30 20 CHED C=CCN(C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C 916707107 IFDGJHPAMIMBQL-UHFFFAOYSA-N 277.755 3.640 30 20 CHED C#CCN(Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 917117932 VXYZKEPGIJAKIA-HXUWFJFHSA-N 286.378 3.681 30 20 CHED CCCCCCCC(=O)NCCN1CCc2ccccc21 918325952 NWVCULKUIQDELA-UHFFFAOYSA-N 288.435 3.526 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)OCc1cccc(C#N)c1 920731612 RLJYDEQWCKADNY-XJKSGUPXSA-N 271.360 3.818 30 20 CHED COc1ccc(O)c(C=Nc2ccc3c(c2)CCC3)c1 920942378 AMMVYWQKZWYGEP-UHFFFAOYSA-N 267.328 3.640 30 20 CHED COc1cccc(NN=Cc2ccc(O)c(Cl)c2)c1 921258630 LIWQOZDINZAHFQ-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(OCC(C)(C)O)cc1 926092108 XINJQWUMQIBJKD-ZDUSSCGKSA-N 290.407 3.577 30 20 CHED C[C@H](COCC1CCCCC1)NC(=O)CCCCCC#N 928705007 RKKAKTJEJPXPBF-OAHLLOKOSA-N 294.439 3.562 30 20 CHED CN(C)CCC1CCN(CCCCC2(C#N)CCC2)CC1 929328681 ZWVZAXIXUQIWOR-UHFFFAOYSA-N 291.483 3.514 30 20 CHED N#CCCN(CCCCC1(C#N)CCC1)Cc1ccco1 929774255 MDQRPCQXKLXZAX-UHFFFAOYSA-N 285.391 3.859 30 20 CHED C[C@@H](O)C[C@@H]1CCCCCN1CCCCC1(C#N)CCC1 930455920 RTLZNGSUTMWAHY-SJORKVTESA-N 292.467 3.866 30 20 CHED CC[C@@H](NCCCCC#N)c1cc(F)ccc1OC 932476397 BZCDXIWWJQWDJW-CQSZACIVSA-N 264.344 3.569 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 933145405 HFSZXIGKIATLQV-DOMZBBRYSA-N 286.375 3.582 30 20 CHED CC[C@@H](CNCc1cccc(OCC#N)c1)c1ccccc1 1116430949 QKMRNDOLPYRXFL-KRWDZBQOSA-N 294.398 3.872 30 20 CHED CCN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C 1118786032 SEIHCRIJBRCJTO-UHFFFAOYSA-N 297.320 3.704 30 20 CHED C[C@@H](NC(=O)c1ccsc1Cl)c1ccc(C#N)cc1 1124915658 OFUCOEDPRCWSAK-SECBINFHSA-N 290.775 3.764 30 20 CHED COc1cc(C#N)ccc1CN1CCC(C(C)(C)C)CC1 1231616925 SDKSYVRDGHILMB-UHFFFAOYSA-N 286.419 3.825 30 20 CHED Cc1cc(NC(=O)c2cccc(C#N)c2C)c(C)c(C)c1O 1256643800 AZIMUXZISGGFKJ-UHFFFAOYSA-N 294.354 3.750 30 20 CHED N#Cc1cc2ccccc2nc1N[C@H]1CCC[C@@H](F)C1 1261452359 BDQNNLQLBRLGFH-KGLIPLIRSA-N 269.323 3.799 30 20 CHED C=C1CCC(C(=O)Nc2ccc3c(c2)CC[C@H]3N(C)C)CC1 1262107217 GUEAQXIRJPOVSY-GOSISDBHSA-N 298.430 3.920 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N(C)c1cccc(C)c1 1301044405 JGCRORYKDKPCPB-UHFFFAOYSA-N 290.798 3.669 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cncc(Cl)c2)n1 1307248124 KSHPSXROZYIJCG-UHFFFAOYSA-N 289.791 3.911 30 20 CHED CC[C@H](C)[C@H]1CCCCN1Cc1ccc(C#N)cc1OC 1307485557 KAZSHFKCNYLFDZ-WMLDXEAASA-N 286.419 3.967 30 20 CHED C#Cc1cccc(NC(=O)c2cnn(C3CCCCC3)c2)c1 1327508915 CMVKTDULPLGITI-UHFFFAOYSA-N 293.370 3.622 30 20 CHED C#CCCCCCCNCc1ccc(NC(=O)C2CC2)cc1 1331708363 SJZYMRSSGKTBMS-UHFFFAOYSA-N 298.430 3.708 30 20 CHED CSc1ccccc1C(=O)/C=C\c1cn(C)nc1C1CC1 1333911721 BHCHYTQKTSHYEL-KTKRTIGZSA-N 298.411 3.916 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cccc2ccsc12 1338328141 JIEBYPLXLNLXKQ-GFCCVEGCSA-N 272.373 3.666 30 20 CHED CC(C)[C@H](C(=O)N(C)[C@H](C)CC#N)c1cccc(Cl)c1 1339160335 GFCALKUQDYKGBH-DOMZBBRYSA-N 292.810 3.840 30 20 CHED C=CCCc1nnc(-c2cc(F)ccc2Br)o1 1341652714 CJUDJJZGEXVDLK-UHFFFAOYSA-N 297.127 3.757 30 20 CHED CC(C)(C)CC(=O)[C@H](C#N)c1nccn1Cc1ccccc1 1342601138 ADBPALDTGDMPEE-HNNXBMFYSA-N 295.386 3.544 30 20 CHED C=CCC1(C(=O)NCCCCOc2ccccc2)CCC1 1343595161 HSWNMDRQQGWVOB-UHFFFAOYSA-N 287.403 3.708 30 20 CHED CC(=NNCC1CCOCC1)[C@@H](C)c1ccc(Cl)cc1 1344416411 RRERRUTXHIAXNK-GFCCVEGCSA-N 294.826 3.836 30 20 CHED C=C(CC)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 1345577552 UZWMXWBWKRVEHF-UHFFFAOYSA-N 274.364 3.576 30 20 CHED C=CCC1(NC(=O)c2cc(C(C)C)nn2CC)CCCC1 1348041616 XBUUJZADXMFODA-UHFFFAOYSA-N 289.423 3.645 30 20 CHED CC[C@@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)CC1 1456269896 KYYDIAYYABUBLA-WBVHZDCISA-N 284.403 3.723 30 20 CHED CCOc1cc(C#N)ccc1OCc1cccc(C(C)=O)c1 1458780604 QKCXAYVTFNEMJF-UHFFFAOYSA-N 295.338 3.739 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cc3ccccc3o2)c1 1460791138 PRPJQLCVIROQTO-UHFFFAOYSA-N 280.258 3.696 30 20 CHED CCc1ccc(CN(CC(C)C)C(=O)[C@@H](C#N)CC)cc1 1469336538 OXVQZLTVPLJJNZ-QGZVFWFLSA-N 286.419 3.783 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 1521639066 XHAQPOPEWPXDKP-UKRRQHHQSA-N 273.376 3.617 30 20 CHED N#Cc1cc(NC(=O)c2nccc3occc23)ccc1Cl 1525219897 PGJKEJZSVDILAX-UHFFFAOYSA-N 297.701 3.605 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1528070182 CSKSNZFZQRAPAW-VIFPVBQESA-N 255.720 3.623 30 20 CHED C=C(C)CCC(=O)Oc1cc2ccccc2cc1C(=O)O 1588559655 PWHCBGQWMJUFLA-UHFFFAOYSA-N 284.311 3.800 30 20 CHED C=CC1(CC(=O)N[C@@H](CC(=O)O)C(C)(C)C)CCCCC1 1602828473 IFHUGCSLDOHRFR-ZDUSSCGKSA-N 295.423 3.519 30 20 CHED CC[C@H](Nc1cc(C)c(C#N)cn1)c1cc(F)ccc1OC 1612939484 GUDXGDAISJPWGY-HNNXBMFYSA-N 299.349 3.973 30 20 CHED CC1(C)CN(c2snc(Cl)c2C#N)[C@@H]2CCC[C@@H]21 1613030205 NQLJYIKKVLZWBJ-VHSXEESVSA-N 281.812 3.683 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CCC(C)(C)c3ccccc32)n1 1639363261 DHTLQFZTMFVZQB-INIZCTEOSA-N 292.386 3.881 30 20 CHED Cc1cccc(C)c1CN(CC(C)C)c1cc(C#N)ncn1 1640067709 UTZZEFYSSCITKB-UHFFFAOYSA-N 294.402 3.628 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)[C@H](C#N)CC 1641779662 CPLUIXCRAQSOHT-CABCVRRESA-N 266.429 3.991 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCc2ccc(F)cc2)n1 1644025373 JNMNIQCVETVHNT-UHFFFAOYSA-N 284.334 3.969 30 20 CHED CCSc1ccccc1CN(CC)C[C@H](C)C#N 1644453974 USBRHVKTXQVHGL-CYBMUJFWSA-N 262.422 3.780 30 20 CHED Cc1cc(C#N)ccc1CN[C@H]1C[C@@H](OC(C)C)C1(C)C 1645714211 WTEAWBHUCJPOHN-DLBZAZTESA-N 286.419 3.548 30 20 CHED C[C@@H]1CC(Nc2c(C#N)cccc2C#N)C[C@@H](C)C1 1650775311 YFGJODMSEMFCEA-RYUDHWBXSA-N 253.349 3.667 30 20 CHED N#Cc1cccc(C#N)c1NCC1CCCCCC1 1651852009 MHLQDEGAKJFKLY-UHFFFAOYSA-N 253.349 3.812 30 20 CHED Cc1nc(C#N)cc(N[C@H]2C[C@@H](C(C)C)c3ccccc32)n1 1652119519 PYKPHUQRQFYRFA-IRXDYDNUSA-N 292.386 3.953 30 20 CHED N#Cc1cccc(Oc2ccnc(NCCC3CCC3)n2)c1 1652189179 QNODXOHEXIBXCB-UHFFFAOYSA-N 294.358 3.743 30 20 CHED CC(C)[C@H]1CCCCCN1CCOc1cccc(C#N)c1 1653916984 WHBNUJSSWINPMS-GOSISDBHSA-N 286.419 3.838 30 20 CHED Cc1cc(C#N)nc(S[C@@H](C)c2ccccc2F)n1 1655048967 CYVCLQAICMMFIZ-JTQLQIEISA-N 273.336 3.649 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(F)cc1 1655920768 LWQFRMUPRTVRSI-SECBINFHSA-N 275.714 3.919 30 20 CHED C[C@H]1CC[C@@H](C)C[C@@H]1NCc1cc(C#N)ccc1F 1665663038 UVOYMMLBSUVTQZ-WQGACYEGSA-N 260.356 3.612 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccccc1F 1666900300 GBTSLDRNDSXPQV-LBPRGKRZSA-N 297.333 3.922 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)Nc1sccc1C#N 1671450156 XXPGVMBYWCOBHO-IAZYJMLFSA-N 277.393 3.566 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@@H]2CCC(C)(C)C2)CC1 1776168219 KAIQQYLYNDWGPZ-OAHLLOKOSA-N 293.451 3.946 30 20 CHED O=C(O)c1ccc(/C=C2\CCc3ccsc3C2=O)cc1 1777673490 YOWARKZPFUUZPW-UKTHLTGXSA-N 284.336 3.659 30 20 CHED N#CCc1ccccc1C(=O)OCc1ccccc1Cl 22619311 IHIBYPMPTHNGSJ-UHFFFAOYSA-N 285.730 3.763 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2ccccc2C)n1 25370949 UOWXOSUNSHNMAL-UHFFFAOYSA-N 265.360 3.533 30 20 CHED CSc1ccc([C@@H](C)NC[C@H](C#N)CCC#N)cc1 30534612 NMODIABJQMKUJE-OLZOCXBDSA-N 273.405 3.503 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)c1cccs1 34992362 XAXSYGAFNFJZJP-GFCCVEGCSA-N 272.373 3.501 30 20 CHED C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 37185915 YJVGSOKUGMJXSW-KBPBESRZSA-N 250.345 3.970 30 20 CHED N#Cc1c(Cl)nsc1NCc1ccc(Cl)s1 49320818 XMKPHLPAWIJUPO-UHFFFAOYSA-N 290.200 3.995 30 20 CHED COc1ccc(NC(=O)Nc2cccc(C#N)c2)c(C)c1 51355853 YWERWCHDECDHNY-UHFFFAOYSA-N 281.315 3.519 30 20 CHED C[C@@H]1CCN(C(=O)c2sccc2C#N)[C@@H]2CCCC[C@H]12 52030728 DYLCOXNSRJPYCP-MRVWCRGKSA-N 288.416 3.661 30 20 CHED C=CCOc1cccc(NC(=O)Cc2cccc(F)c2)c1 55722789 HOADIAJGFTZVOJ-UHFFFAOYSA-N 285.318 3.572 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1CCCC#N 58523912 XJZCJMUUFRJVTN-IAGOWNOFSA-N 256.393 3.948 30 20 CHED Cc1ccc(C#N)c(N2CCC3(CCCCC3)CC2)n1 61821268 JSUDVARTOIJVKJ-UHFFFAOYSA-N 269.392 3.812 30 20 CHED C=C(C)CN(CC)Cc1cc(Br)ccc1F 65222923 MNRNJOWYEJZQPQ-UHFFFAOYSA-N 286.188 3.986 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@H](C)Cc1cccc(F)c1 73227358 AYKGSGLPFBONKM-CQSZACIVSA-N 290.382 3.545 30 20 CHED COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C#N)cc1 75462329 HCDFZYSXLYITFN-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(C#N)cn1)c1ccc(C)cc1 78109793 ZSOFEUZTTQTIKZ-HNNXBMFYSA-N 293.370 3.784 30 20 CHED Cc1cc(C)c(NC(=O)N(CCC#N)CC2CC2)c(C)c1 78439382 BXNGEMQMILSBJD-UHFFFAOYSA-N 285.391 3.769 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1ccc2[nH]ccc2c1 78537183 JUYYRPDJDMAXOE-UHFFFAOYSA-N 298.390 3.962 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1 78553931 PATZRJBLMVNCFG-UHFFFAOYSA-N 280.371 3.584 30 20 CHED CCc1ccc(-c2nc(CN(C)CCC#N)cs2)cc1 78646192 UZDSSGFDXAUBHV-UHFFFAOYSA-N 285.416 3.718 30 20 CHED C[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 78973148 RWCSLLYRDNBCQS-QWHCGFSZSA-N 294.354 3.699 30 20 CHED CCC(CC)CN(CC)C(=O)NCC#Cc1ccccc1 79085937 KWXXOBGDACNRIA-UHFFFAOYSA-N 286.419 3.506 30 20 CHED Cc1ccc(C[C@@H](C)NCc2cccc(C#N)c2)s1 80240879 WCNPPXLPVGDQCL-GFCCVEGCSA-N 270.401 3.649 30 20 CHED CCCn1c(CN(CCC#N)CC2CC2)nc2ccccc21 93091355 AHXMXJSTTPVZIX-UHFFFAOYSA-N 296.418 3.572 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1ccccc1Cl 102335600 URIVHLCFFUHUNE-CQSZACIVSA-N 263.768 3.970 30 20 CHED CCCCCN(CCCCC)C(=O)c1ccc(C#N)cn1 107453383 ZIZLUDYVNSULSE-UHFFFAOYSA-N 287.407 3.776 30 20 CHED C[C@H](Cc1cccs1)Nc1ccc(F)cc1C#N 111026911 QSARYEKLGMIQGG-SNVBAGLBSA-N 260.337 3.802 30 20 CHED N#Cc1cc(Cl)ccc1NCCOC1CCCCC1 111609294 XNISAROQKTYKOO-UHFFFAOYSA-N 278.783 3.973 30 20 CHED C=CCNC(=O)N[C@@H](c1ccccc1Cl)C(C)C 115641944 UKZYIVVYNJOAOY-CYBMUJFWSA-N 266.772 3.522 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1Oc1cccnc1 116853667 JXSWMWDDRVGWBB-CYBMUJFWSA-N 282.343 3.568 30 20 CHED C=CC[C@@H](C)NC(=O)COc1ccccc1[C@H](C)CC 116863159 ZJKWICQWOKFGHU-ZIAGYGMSSA-N 275.392 3.660 30 20 CHED Cc1cc(NCc2ccc(C#N)s2)ccc1N(C)C 120181003 PTXXVLCNNKTEAA-UHFFFAOYSA-N 271.389 3.606 30 20 CHED C=CCN(C)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC 121499633 ZGPRXCZDODIDBM-KGLIPLIRSA-N 274.408 3.645 30 20 CHED CC(C)[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 122421394 QIPHPKWKEOGJFL-JKSUJKDBSA-N 286.419 3.871 30 20 CHED CCCCCCCC(=O)N1CCCCC[C@H]1C[C@H](C)O 125208019 KZGMWWHSCZARQS-HOTGVXAUSA-N 283.456 3.889 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1C=CCCC1)c1ccccc1 127018554 NADPATGRICEZHV-GDBMZVCRSA-N 255.361 3.571 30 20 CHED Cc1ccc(C#N)c(N[C@@H](C)c2ccc(F)cc2F)n1 127519886 IWETVKHGUDKENP-JTQLQIEISA-N 273.286 3.713 30 20 CHED CC1(C)CCN(c2ccc(Br)cc2C#N)C1 130459136 KHWUOAPEOSIXIV-UHFFFAOYSA-N 279.181 3.557 30 20 CHED C=CCC[C@H](C)Nc1cccc(C(=O)NCCC)c1 130643420 QYLYHDYTNSBPMM-ZDUSSCGKSA-N 260.381 3.593 30 20 CHED N#Cc1ccc(NC[C@H]2[C@H]3c4ccccc4C[C@H]32)cc1 132437293 AKVFJMAOTPXROQ-KSZLIROESA-N 260.340 3.556 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 132740557 NAEBQWCYTMBPFQ-CABCVRRESA-N 297.304 3.688 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2C)c(F)cc1F 134861310 RVCGXTVOXHRNHQ-UHFFFAOYSA-N 286.281 3.706 30 20 CHED Cc1cccc2cc(C(=O)N(C)c3cccc(C#N)c3)oc12 150092560 CXYUHOJSUURTSM-UHFFFAOYSA-N 290.322 3.890 30 20 CHED C=CCC[C@H](NC(=O)CO[C@H](C)CC)c1ccccc1 152154682 KPDGAEWWUZMIRR-ZBFHGGJFSA-N 275.392 3.625 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(Cl)c2F)C1 155211335 NIFUSVNGPGUYSI-MEBBXXQBSA-N 294.757 3.681 30 20 CHED C=CCC[C@H](NC(=O)N(C)CC=C)c1ccccc1 155522460 VLSMNTYZQYCXIQ-HNNXBMFYSA-N 258.365 3.521 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1c1cc(C)ccc1C 156547560 UKKSTEVBUXAVLC-INIZCTEOSA-N 272.392 3.726 30 20 CHED CSC(C)(C)CNc1nc2ccccc2cc1C#N 158683936 KFTZCBCDLLWKJW-UHFFFAOYSA-N 271.389 3.660 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C1 166721867 KWOIRJGYSWGFOL-DGCLKSJQSA-N 291.376 3.553 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC1CC1)C1CCCCC1 170804448 WYNGJTHGKQBGHS-AWEZNQCLSA-N 279.424 3.539 30 20 CHED CC(C)(C)c1ncc(C=C2C(=O)c3ccccc3C2=O)s1 172521610 AETOGWRXDFNYPD-UHFFFAOYSA-N 297.379 3.903 30 20 CHED COc1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1C#N 172688603 GXFLKMOBIOIKLJ-IBGZPJMESA-N 292.382 3.808 30 20 CHED CN(CCCCNCC(C)(C)CCC#N)c1ccccc1 174298128 SSQYZRXKLZMWBL-UHFFFAOYSA-N 287.451 3.823 30 20 CHED CS[C@@H]1CCC[C@H](NCC(C)(C)CCC#N)C1 174406666 MZIWTCIJTRGZMQ-QWHCGFSZSA-N 254.443 3.580 30 20 CHED COCc1ccccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 175778355 IAKUDWPGEHWALL-ZDUSSCGKSA-N 295.338 3.623 30 20 CHED CCS[C@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 176983429 SXIIUXWEMVPNFR-CVEARBPZSA-N 274.433 3.712 30 20 CHED Cc1cccc(NC(=O)N(CCC#N)CC2CC2)c1Cl 177089627 HTABIEOQNZEQBQ-UHFFFAOYSA-N 291.782 3.806 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCC1(CCOC)CCCC1 180941367 VARUOBYATAUVRS-OAHLLOKOSA-N 296.455 3.627 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 180947956 KJUWTJAQUJRBTK-OLZOCXBDSA-N 287.382 3.935 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1cc2ccccc2o1 181122545 IKRJHEJFKGIYSL-LBPRGKRZSA-N 272.348 3.711 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@@H](C#N)C1CCCCC1 182262634 DAZXOQTURHUXHC-BBRMVZONSA-N 283.375 3.862 30 20 CHED C[C@H](NCCCC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 185668351 NNQWAWRJRPOFMH-JKSUJKDBSA-N 291.483 3.559 30 20 CHED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 185775569 SSKBNCUWPLMZKH-GOEBONIOSA-N 256.393 3.636 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cc(-c3ccccc3)on2)C1 185806944 LDYXSIZOXCIDBG-HIFRSBDPSA-N 281.359 3.514 30 20 CHED CC#CCCCC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 186021134 HNBWAZLAELUEFN-UHFFFAOYSA-N 295.386 3.963 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2cccc(F)c2C#N)c1 186991876 HZMNMEVUWVBJSW-UHFFFAOYSA-N 282.318 3.591 30 20 CHED Cc1cc(C)c2c(c1)CN(C(=O)C1(C#N)CCCCC1)CC2 187791990 XDUYLAPZNJPPDB-UHFFFAOYSA-N 296.414 3.662 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCC2(CCCCC2)CC1 188479373 HWLACNTTWPKMFE-QGZVFWFLSA-N 293.451 3.788 30 20 CHED C=CCN1CCC(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 189169202 CVNXEMQTTUQYOY-AZUAARDMSA-N 298.474 3.638 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(c2ccc(F)cc2)CC1 190700443 SPYWUOHDZYSCTP-MRXNPFEDSA-N 275.367 3.576 30 20 CHED C=CCC1(C(=O)NCc2c(Cl)cccc2OC)CCC1 191861404 FMUXPEXXTJSIEL-UHFFFAOYSA-N 293.794 3.711 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1c[nH]c2ccccc12 193102133 MKNZJEOIFQUWKZ-BQYQJAHWSA-N 266.300 3.669 30 20 CHED N#Cc1ccc(CC(=O)OCc2cc3ccccc3o2)cc1 194721915 LYYQJMLDTJVWCU-UHFFFAOYSA-N 291.306 3.590 30 20 CHED Cc1ncc(CN(C)[C@@H](C)c2ccc(C#N)cc2)s1 194972618 AYXHMJVSTZCEMH-NSHDSACASA-N 271.389 3.516 30 20 CHED CC(C)COCCCNc1cccc(Cl)c1C#N 219041512 GQWAJGPSSBYQPK-UHFFFAOYSA-N 266.772 3.686 30 20 CHED C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)CC1 228187537 XQGMVCYDNYWFBD-LLVKDONJSA-N 293.208 3.947 30 20 CHED C=CCSCCNc1c(Cl)cccc1[N+](=O)[O-] 231955478 HVVICWSRAOGRJQ-UHFFFAOYSA-N 272.757 3.579 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1ccccc1F 234272705 MGJOJGBULKHRSK-UHFFFAOYSA-N 262.372 3.978 30 20 CHED CCO[C@H](CC/N=C\c1ccccc1O)C1CCCC1 255355406 LKWOKGLKZVFZCF-GFWHJHDHSA-N 275.392 3.797 30 20 CHED COc1cccc(OCc2ccc(Cl)cc2C#N)c1 260760470 HLQXGMWFNXDBLW-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] 265749609 YLWJNMHAVSCJSM-UHFFFAOYSA-N 294.326 3.552 30 20 CHED N#CCSCCCN1CCC[C@@H]1c1cccc(F)c1 266743781 OSFJSLQHRLGAHX-OAHLLOKOSA-N 278.396 3.609 30 20 CHED C=CCCSCc1nc([C@H](C)SCC)no1 268714136 FYRHLVFNFCFIFL-VIFPVBQESA-N 258.412 3.693 30 20 CHED N#CCc1ccc(-c2nc(C3CCCCC3)no2)cc1 270315108 GWXNXGHOTAODIP-UHFFFAOYSA-N 267.332 3.850 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(Cl)cc(Cl)c1 271147110 ZBSHNBUEGFYCHZ-VIFPVBQESA-N 257.164 3.585 30 20 CHED C#CC[C@@H](N[C@H](C)c1nccs1)c1ccccc1 271538695 QOKVRYHSOWYBSX-TZMCWYRMSA-N 256.374 3.558 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccs1 272197215 INEUEPGFLCUOHU-LBPRGKRZSA-N 268.385 3.960 30 20 CHED C=CCOCCCc1nc([C@@H]2CCCc3ccccc32)no1 273683559 HIUXCRXRMJMTKZ-MRXNPFEDSA-N 298.386 3.673 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1coc(-c2ccc(C)cc2)n1 277001800 ZIGQTALYCOOJRZ-SFHVURJKSA-N 298.386 3.869 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccccc1CCC 278590394 TYNVWYGIXVPLBU-GDBMZVCRSA-N 273.376 3.559 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nc(C2CCC2)cs1 282571694 BBUOCOWMABGTHZ-UHFFFAOYSA-N 279.409 3.841 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)cs1 286096720 ZUFSEDVEKPUTGY-GFCCVEGCSA-N 256.374 3.779 30 20 CHED CC(C)c1ccc2occ(C(=O)NCCCCC#N)c2c1 286178980 QBJWCSJZFDOHOU-UHFFFAOYSA-N 284.359 3.980 30 20 CHED C[C@@H]1c2ccccc2CCN1c1nc(Cl)c(C#N)s1 288206857 CWBQLLKUJWZHKC-SECBINFHSA-N 289.791 3.792 30 20 CHED Cc1csc(NC(=O)C[C@@H]2CCC[C@H]2C)c1C#N 288924212 VZPQBXWIRIYPBF-KOLCDFICSA-N 262.378 3.693 30 20 CHED C=C(C)Cn1c(C)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 291030393 NIUWJZOHYQPUBK-YOEHRIQHSA-N 296.418 3.545 30 20 CHED Cc1csc(C(=O)N[C@H](CCC#N)c2ccccc2)c1 295270418 IDESWKKXNFVUBW-CQSZACIVSA-N 284.384 3.831 30 20 CHED N#Cc1ccc(N2CCc3ccc(F)cc3C2)cc1Cl 301750831 UQKYLLBYDSBICX-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CC[C@@H](CSC)Nc1ccc2cc(C#N)ccc2n1 301989494 MDSXBWYBZPTXHQ-ZDUSSCGKSA-N 271.389 3.660 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2CCC[C@H](C)C2)c1 302114964 RCCBXMONUARKEF-NHYWBVRUSA-N 256.349 3.751 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@H]1Nc1ccc(C#N)nn1 302187050 VUUVYBPOHWNDGT-QAPCUYQASA-N 292.386 3.720 30 20 CHED COc1cccc(N/C(N)=N/CC2(C)CCCCCC2)c1 305759515 BRIZTBVHWQLSFZ-UHFFFAOYSA-N 289.423 3.782 30 20 CHED CCCC[C@@H](C)N(C)c1nc(Cl)c(C#N)s1 309410307 KCDLKYMKEFDHJD-MRVPVSSYSA-N 257.790 3.683 30 20 CHED CC[C@H]1CCCN1Cc1ccc(Br)cc1C#N 310267191 HMFYUOWIBTXDGM-AWEZNQCLSA-N 293.208 3.695 30 20 CHED N#CCc1cccc(NCc2cc(Cl)cc3c2OCC3)c1 313423090 GFBZBSIWPIBMPW-UHFFFAOYSA-N 298.773 3.953 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/CC[C@H]2C[C@H]3CC[C@H]2C3)CC(O)=N1 329338231 MYJOADXHAUQSMQ-QMVSFRDZSA-N 278.396 3.524 30 20 CHED O/C(C/N=C(/O)C1CCCCC1)=N/C[C@@H]1CCCSC1 329512854 XVKOTGXBWNPWNS-LBPRGKRZSA-N 298.452 3.623 30 20 CHED CC[C@@H]1CCCN1C(O)=Nc1cn(C)nc1-c1ccccc1 329515819 DFNJCOYDRUDPBV-CQSZACIVSA-N 298.390 3.507 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@@H](C#N)C2CCCCC2)c1 330577916 NVAJGSFDZOMIGN-PBHICJAKSA-N 284.403 3.687 30 20 CHED CC(C)(C)c1ccccc1N/C(O)=N/C[C@@]1(C)CCOC1 330759989 KWAPUBAZLZOZBH-QGZVFWFLSA-N 290.407 3.737 30 20 CHED CC(C)c1ccc(/C(O)=N/[C@@H]2CCC[C@H]2C#N)c(O)c1 331228488 FIBISWMMDSMYJJ-GXTWGEPZSA-N 272.348 3.512 30 20 CHED C[C@H](CC/N=C(/O)N[C@@H]1CCO[C@H](C)C1)CC(C)(C)C 331262841 DWDINULKCWRXSP-MGPQQGTHSA-N 284.444 3.520 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1(CC(C)C)CCC1 332460835 PKKRFVLSFLPMTR-UHFFFAOYSA-N 286.375 3.722 30 20 CHED CSc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)o1 334683745 QVCHXMZPAZWNIH-UHFFFAOYSA-N 292.385 3.804 30 20 CHED Cc1ccoc1CN(C)c1ccc(Cl)cc1C#N 336796968 XPWWTBWEIFAPBX-UHFFFAOYSA-N 260.724 3.750 30 20 CHED N#Cc1cc(NCc2cnc3ccccc3c2)ccc1F 336842482 SIQIRUSDSCFZTB-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CC1(C)CCC[C@@H](c2noc(C3(C#N)CCC3)n2)C1 339793472 ZUKXPJYHKPPDDO-LLVKDONJSA-N 259.353 3.699 30 20 CHED CN(Cc1ccc(C#N)cc1)c1cccc2cccnc12 340215878 KFCVYZIOORUMJU-UHFFFAOYSA-N 273.339 3.743 30 20 CHED C[C@H](CCOCc1ccccc1)NCc1cccc(C#N)c1 342272209 SJTZLTCSUAWMOB-MRXNPFEDSA-N 294.398 3.643 30 20 CHED CN(Cc1ccc(CC#N)cc1)Cc1ccc(F)c(F)c1 342691439 HYSUIKTUJAMVJK-UHFFFAOYSA-N 286.325 3.663 30 20 CHED Cc1ccc(-c2nnc([C@@H](C)N(C)C[C@H](C)C#N)o2)cc1C 344344575 CZFBAPRLGOVPNQ-BXUZGUMPSA-N 298.390 3.506 30 20 CHED N#Cc1cc(Cl)cc(OCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 352198074 HOUYVTCSGOITCP-ITDIGPHOSA-N 289.762 3.596 30 20 CHED CC1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)CC1 352303881 OGIRGZFWCCJWAJ-UHFFFAOYSA-N 287.313 3.621 30 20 CHED COCCC1(CN[C@@H]2CCc3ccc(C#N)cc32)CCCC1 353258788 CZRJWWGMKUNUDV-GOSISDBHSA-N 298.430 3.732 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1cnc3ccccc3c1)CC2 353261114 CEFGUXUZMMTXMN-FQEVSTJZSA-N 299.377 3.884 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)c1sccc1C#N 353621051 TWGYIKSIWCPMTQ-UHFFFAOYSA-N 298.411 3.918 30 20 CHED COC1CCC(C)(CNCC(C)(C)CCC#N)CC1 355106385 BEMILJKYYYCURE-UHFFFAOYSA-N 266.429 3.501 30 20 CHED CC1(C)CC[C@@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 355645783 RQEKSZZNDNQFHR-CYBMUJFWSA-N 297.402 3.897 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)C[C@H](CC#N)c1ccccc1 355667714 YKMFRQBPGKJUEA-UXLLHSPISA-N 284.403 3.863 30 20 CHED C=CCOc1cccnc1-c1nc(C(CC)CC)no1 356534490 WABZHIMVBDNJIL-UHFFFAOYSA-N 273.336 3.600 30 20 CHED C[C@@H](C1CCC1)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 356959310 JFFBSPBNKPOVAO-WMLDXEAASA-N 299.418 3.861 30 20 CHED CCN(CCC#N)CCOc1cc(Cl)ccc1Cl 357919938 VADIRONTFKMQHT-UHFFFAOYSA-N 287.190 3.608 30 20 CHED C#Cc1ccc(CN[C@@H](c2ccccc2)c2cccnc2)cc1 367295246 PGCVMHHGMIUQNY-NRFANRHFSA-N 298.389 3.942 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 370439782 CUWMGRINYBXIMY-UHFFFAOYSA-N 281.359 3.784 30 20 CHED COc1cccc([C@H]2C[C@H](C)CN2c2ccc(C#N)cn2)c1 371692979 OGJZAWVMPDFHOF-SUMWQHHRSA-N 293.370 3.549 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H]2c2cccnc2)c1C#N 373280383 KTUMFUAXTCWPAG-HNNXBMFYSA-N 298.777 3.652 30 20 CHED N#Cc1ccc(C2=CCN(C3CCCC3)CC2)cc1 374285133 RVEYNXQLUAUXEI-UHFFFAOYSA-N 252.361 3.590 30 20 CHED C=CC[C@H](CC)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 393755544 HOCNOVJYNQLJMC-KKUMJFAQSA-N 296.455 3.767 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(F)c(C#N)c1 402586967 ZISIKBJLNXPLEZ-QMMMGPOBSA-N 288.244 3.614 30 20 CHED CCCCOCC(=O)Nc1scc(C(C)(C)C)c1C#N 410932225 XHOXQSCJVGRVJM-UHFFFAOYSA-N 294.420 3.672 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)c1cc(C#N)ccc1Cl 411088474 PUVUKRHPKVXYGA-JTQLQIEISA-N 276.767 3.615 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc(OC(F)(F)F)cc1 411439867 AIBHGWYNBZTOFC-WDEREUQCSA-N 286.297 3.928 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411785411 CIROTCRTPAWOCP-OKZBNKHCSA-N 296.414 3.699 30 20 CHED CCOC[C@H]1CCCCN1CCC1(C#N)CCCCC1 411826138 SITYPJPIELWJJR-MRXNPFEDSA-N 278.440 3.742 30 20 CHED N#Cc1ccccc1SCCCO[C@@H]1CCCCO1 413000483 PCYNAGOSAICQNF-OAHLLOKOSA-N 277.389 3.584 30 20 CHED COC1(CCSCCOc2ccccc2C#N)CCC1 419400191 LOOVFGFALUMAOS-UHFFFAOYSA-N 291.416 3.629 30 20 CHED C[C@H]1CCCCN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419615919 RLJJZSMISVNNCF-SUMWQHHRSA-N 297.402 3.520 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@@H](CC(F)(F)F)C2)n1 420635452 URRXFORUAHEOBQ-LBPRGKRZSA-N 297.324 3.739 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H](c3cccnc3)C2)s1 421347589 CSAYGDSHLVXGPC-ZFWWWQNUSA-N 297.427 3.831 30 20 CHED C[C@@]1(CNCc2ccc(C#N)c(F)c2)C[C@H]1c1ccccc1 421387474 SZTYJFFRJRGNJX-HKUYNNGSSA-N 294.373 3.981 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2ccccc2C)C1 424650183 YKHUBFCSCHNRHT-OAHLLOKOSA-N 271.404 3.913 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1cc(C)cc(C)c1 424694629 ZDQYTJHBYLWOLL-UHFFFAOYSA-N 259.393 3.564 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 424838055 UVLZNUZIWLWNFE-GFCCVEGCSA-N 295.329 3.507 30 20 CHED C=CCC[C@@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1ccco1 425934847 FNNJHSIMTUQIRB-LISAXSMJSA-N 289.419 3.818 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1cccc(F)c1F 426200508 XMQOUAVFAPSKCP-VXGBXAGGSA-N 294.345 3.776 30 20 CHED CCc1noc(-c2sc3ccc(C#N)cc3c2C)n1 426413209 RGDSSEMDGDDCQN-UHFFFAOYSA-N 269.329 3.694 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2c(s1)C[C@H](C)CC2 426566002 DIGUPKIYAZNQLU-OLZOCXBDSA-N 276.449 3.808 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1C 426572228 ABUDYEKYCINDHL-HNNXBMFYSA-N 275.392 3.553 30 20 CHED CC(C)(C#N)CCCN[C@H](c1ccccc1)C(C)(C)CO 429705614 YSCUQDQEYDBJDS-MRXNPFEDSA-N 288.435 3.666 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCc2cc(C)ccc21 429910734 PVZRALMRQXOYCC-OAHLLOKOSA-N 257.377 3.701 30 20 CHED N#Cc1ccc(N2CCC[C@H](c3ccccc3)C2)cc1 431480904 DZUBJKZIABKMJC-KRWDZBQOSA-N 262.356 3.942 30 20 CHED CN(CC(C)(C)C#N)c1ccc(C#N)c(C(F)(F)F)c1 432139903 SKLBNTCSLQMJMU-UHFFFAOYSA-N 281.281 3.563 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@H](C)CCc1ccccc1 435742682 WQTFXRYKKYXVHE-NEWSRXKRSA-N 287.447 3.826 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CCC(C)(CC)CC1 436305781 HWRKMJSSVJPOJQ-GYXIZQIFSA-N 265.441 3.916 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C(C)C)s1 437497431 MMFWAERRWJNQEN-IUODEOHRSA-N 293.432 3.583 30 20 CHED C=C1CCN(C(=O)[C@H](C)CSCc2ccccc2)CC1 439825067 BSWOPWGIPAOLJW-OAHLLOKOSA-N 289.444 3.735 30 20 CHED COc1ccccc1C1(CN[C@H]2CC[C@@H](C#N)C2)CCCC1 442723346 WWMCCLZMQKQIHW-CVEARBPZSA-N 298.430 3.789 30 20 CHED C=CC[C@@H]1N(C(=O)c2c(CC)noc2C)CCCC1(C)C 443853247 AEHYOWHZRGGBJC-AWEZNQCLSA-N 290.407 3.752 30 20 CHED CC[C@@H](N[C@@H](C)Cc1ccncc1)c1ccc(C#N)cc1 447585042 IWGUYACPRIETDC-KBXCAEBGSA-N 279.387 3.625 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 448925584 PTWYMBRIDJPMLP-SNVBAGLBSA-N 280.437 3.830 30 20 CHED COc1cc(CNC2CCC(C)(C#N)CC2)ccc1C 449098071 HCWNHAXSGGTVEA-UHFFFAOYSA-N 272.392 3.566 30 20 CHED C=CCOc1ccc(CC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 449951877 IRFQMLCDORKIIJ-AEFFLSMTSA-N 299.414 3.585 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc2c(c1)CCCC2 450658575 DKEDZDJORSZHAD-AWEZNQCLSA-N 268.404 3.910 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1NC 451608135 NFAPWXOTPIDWGU-ZDUSSCGKSA-N 273.380 3.611 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2ccc(C)nc2)cn1 452155014 WSSPBQRXOSMWQS-ZDUSSCGKSA-N 295.386 3.993 30 20 CHED C=C(C)CCNC(=O)[C@H](C)c1ccc(Br)cc1 452719503 TWUXMWUJKBMUKN-LLVKDONJSA-N 296.208 3.635 30 20 CHED Cn1c(C#N)ccc1-c1nc([C@H]2CCCC(C)(C)C2)no1 453166410 APPLJFCIQJBMMG-NSHDSACASA-N 284.363 3.631 30 20 CHED C=CCC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccco1 453332548 AXQHVAUELXKXHI-RDBSUJKOSA-N 271.364 3.779 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](C)c1cccc(OCC)c1 454399825 BKJAFRZKFWDIMH-CYBMUJFWSA-N 290.407 3.658 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](CC)Cc1ccccc1 455304826 DFVVLHHSNZLSKZ-INIZCTEOSA-N 274.408 3.615 30 20 CHED C=C(C)CCNC(=O)Nc1cc(OCC)ccc1Cl 455751069 HJJNXPQQPUBIGB-UHFFFAOYSA-N 282.771 3.826 30 20 CHED CCN(CC1CCC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 456041231 RXAVNKDATXKEAF-UHFFFAOYSA-N 298.430 3.776 30 20 CHED C=CCCCC(=O)N[C@H](c1ccc(OC)cc1)c1ccco1 457017170 YHIPEYYIGSRDPR-GOSISDBHSA-N 299.370 3.850 30 20 CHED CCC[C@H](NCCCC1(C#N)CCOCC1)C1CCC1 459802144 MBZYGLDQGZWFBA-INIZCTEOSA-N 278.440 3.645 30 20 CHED CC(C)c1ccc(C[C@@H]2CCN(CC3(C#N)CC3)C2)cc1 460969076 JVQQZRZARWMIGP-KRWDZBQOSA-N 282.431 3.978 30 20 CHED CC#CCCCC(=O)NCC1(c2ccccc2)CCCC1 464561142 REJCPFNCBMNYOT-UHFFFAOYSA-N 283.415 3.808 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1ccccc1N(C)C 467436385 OPIFLQXWMJWYCJ-HNNXBMFYSA-N 293.414 3.518 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1F)C(C)C 467999822 HAFJVQMWLIQEBZ-IAQYHMDHSA-N 296.361 3.926 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC[C@@H](C)CC(C)(C)C 468082173 WPFMSZPPYFSKFW-RHSMWYFYSA-N 283.456 3.794 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc2c1CCCC2 468261470 LUSHGPSMSSBLQG-SFHVURJKSA-N 287.403 3.733 30 20 CHED C=CC[C@@H]1N(C(=O)CCCC#CC)CCCC1(C)C 470290148 CDMWEROXJWWVGZ-HNNXBMFYSA-N 261.409 3.773 30 20 CHED C=CCOCCCN(CC)[C@@H](C)c1ccc(F)cc1 470721676 DHJWQGFQCHZIIV-AWEZNQCLSA-N 265.372 3.801 30 20 CHED C=C(C)CN(CCCOC(C)C)Cc1ccccc1 470905063 BWZXEBZIJVOQMX-UHFFFAOYSA-N 261.409 3.880 30 20 CHED C=CCCCCN[C@H](C)c1ccc(-n2cccn2)cc1 471618259 KBOACCFTPDSPIX-OAHLLOKOSA-N 269.392 3.879 30 20 CHED C=CCCCCNC(=O)N1CCC(C)(CC)CC1 474071494 DQVJFZVMTRLQDK-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(CC)c(C)s1 488826376 LCLUSTUDTATBJJ-CYBMUJFWSA-N 263.406 3.800 30 20 CHED C=CCCC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 489674005 YCQYMINWPFOUSQ-HZPDHXFCSA-N 257.377 3.795 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(C)cc(C)cc1C 491096482 STSPACDYNHDEKB-CQSZACIVSA-N 258.365 3.535 30 20 CHED C=CCC[C@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 497232236 UCTYHVVEFJYVIX-INIZCTEOSA-N 284.403 3.745 30 20 CHED CC#CCCNCc1ccc(-c2ccc(C)cc2)o1 499211740 IVKGIPWPDYQIKL-UHFFFAOYSA-N 253.345 3.758 30 20 CHED C[C@H]1CCCC[C@@H]1OCCNc1c(F)cc(C#N)cc1F 500519988 CEUXFLNWIGSIAF-NHYWBVRUSA-N 294.345 3.844 30 20 CHED CC#CCCCC(=O)N[C@]1(c2cccc(C)c2)C[C@@H]1CC 501596243 WASFHKDHUUVLQU-QFBILLFUSA-N 283.415 3.930 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 502475792 WVQGXTVEGSBGAT-OSAQELSMSA-N 285.391 3.813 30 20 CHED COC(=O)[C@H](Sc1ccc(C#N)cc1)c1ccccc1 505877229 QGGBQBJWEZRZBK-OAHLLOKOSA-N 283.352 3.565 30 20 CHED C=C(C)CCN[C@H](COC)c1ccc(Cl)cc1 510779807 LPCYLHIURGXTCO-CQSZACIVSA-N 253.773 3.583 30 20 CHED CCCCOc1ccc(CNCCC#N)cc1Cl 515348274 YHJQXHYJCLXFMQ-UHFFFAOYSA-N 266.772 3.522 30 20 CHED COc1ccc([C@H](C)Nc2ncc3c(c2C#N)CCC3)cc1 515834155 URCIRUOSJJLAIR-LBPRGKRZSA-N 293.370 3.624 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@](C)(C#N)CC 516111409 QSAQJPIAKGLBJF-AEFFLSMTSA-N 286.419 3.714 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 527483417 QAVVNTDSZVIWKJ-AXAPSJFSSA-N 261.365 3.622 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 528154307 FDEZXRRQAWEKAR-ZTFRIQLXSA-N 298.386 3.576 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H]2[C@@H](C3CC3)[C@H]2C)cc1 528274840 FSWRQFHSEFOMTQ-KBRIMQKVSA-N 282.387 3.534 30 20 CHED CN(Cc1c(F)ccc(F)c1Cl)CC(C)(C)C#N 529580801 AFDJLDQGMKPJKL-UHFFFAOYSA-N 272.726 3.600 30 20 CHED C=CCNC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 536099851 QYXQEKZOTBZKHT-MRXNPFEDSA-N 272.392 3.843 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1C 538265015 NSDHAKHUUJXTCH-JKSUJKDBSA-N 281.440 3.787 30 20 CHED C=CCNC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 538508270 FRQWTCQFSVHBEW-UHFFFAOYSA-N 269.344 3.986 30 20 CHED C=C(CC)CSCc1cccc(C(=O)OC)c1C#N 539095120 GKACAYCEYZVETI-UHFFFAOYSA-N 275.373 3.544 30 20 CHED C=CCC[C@@H](C)NCCc1c[nH]c2cc(F)ccc12 541737295 UZDRYDRWSQAJLV-GFCCVEGCSA-N 260.356 3.794 30 20 CHED CCC(CC)(CC)CNC(=O)N1CCC(CC#N)CC1 542854815 VZKGVHSOMHEKAW-UHFFFAOYSA-N 279.428 3.538 30 20 CHED CC[C@@H](CNc1nccc(C)c1C#N)Oc1cccc(F)c1 543205749 IMQNYZNLRBEZGB-AWEZNQCLSA-N 299.349 3.670 30 20 CHED C=CC[C@H](C)[C@@H](C)NCCc1ccc(F)c(F)c1F 543412959 VRJJYTPJPIGMEJ-WDEREUQCSA-N 271.326 3.837 30 20 CHED Cc1cc(NC(=O)[C@@H](C)CCC(C)(C)C)n(CCC#N)n1 543463249 TVLFRUBIWTVMAD-LBPRGKRZSA-N 290.411 3.506 30 20 CHED N#Cc1ccc2nc(N3C[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3)ccc2c1 549220542 KVQFPOPASUEQJY-OTRWWLKZSA-N 289.382 3.589 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)c1ccc(F)c(C#N)c1 551632454 ZKOVEGCCCQJLBX-LBPRGKRZSA-N 288.366 3.786 30 20 CHED C=CCN(CCOC)C[C@H](C)c1cccc(Cl)c1 554935483 PVUYXMLHFXYOJM-ZDUSSCGKSA-N 267.800 3.578 30 20 CHED C=CCN(CC1CCCCC1)c1nnc(C(C)C)n1C 558436619 LYIXGJCXTIGPNC-UHFFFAOYSA-N 276.428 3.511 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 560379102 SZKIVCHXPICHFM-HZPDHXFCSA-N 299.418 3.596 30 20 CHED C=CCOCCSCc1cccc(OC(F)F)c1 563467523 LMWLCMDEQBSGBG-UHFFFAOYSA-N 274.332 3.724 30 20 CHED C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C2CC2)CC1 565119277 HZNFVBTUFKRVPT-UHFFFAOYSA-N 298.390 3.584 30 20 CHED N#CCC1(CNC(=O)Nc2ccc(C3CCC3)cc2)CC1 565282673 SOYXIXCFHMIOKB-UHFFFAOYSA-N 283.375 3.769 30 20 CHED N#CCc1ccc(NC(=O)NC[C@H]2CCC[C@H]2C2CC2)cc1 565821058 VQWZFKLEOYZRLJ-WBVHZDCISA-N 297.402 3.700 30 20 CHED CC(C)C(C)(C)NC(=O)C[C@H](CC#N)c1ccccc1 568579776 LUWNUKVWDUDOQS-HNNXBMFYSA-N 272.392 3.625 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2c(C)cccc21 569782796 ZSXJYPXANFGOKF-PBHICJAKSA-N 284.403 3.732 30 20 CHED COc1cc(C)ccc1[C@@H](C)NCC(C)(C)CCC#N 571668078 GXWBRHABOYRFAO-CQSZACIVSA-N 274.408 3.984 30 20 CHED Cc1cc(CSc2nc(C)c(C)o2)ccc1C#N 573057021 CKBYGKIIXJLWSE-UHFFFAOYSA-N 258.346 3.764 30 20 CHED CCc1cc2c(=O)n(CCCCC(C)(C)C#N)ccc2o1 573920251 KFTKMCXOJGEVCS-UHFFFAOYSA-N 286.375 3.877 30 20 CHED CC[C@H](NCc1cncc(C)c1)c1ccc(C#N)cc1 575311226 OQVAXXIEIIVCFN-KRWDZBQOSA-N 265.360 3.503 30 20 CHED C=CC(C)(C)C(=O)N(C)[C@H]1CCCc2ccccc21 577705546 GQTROOKQSBAASE-HNNXBMFYSA-N 257.377 3.735 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc3n[nH]cc3c2)CCCC1(C)C 579551067 RZMSNQOYYQMOPQ-INIZCTEOSA-N 297.402 3.770 30 20 CHED C[C@H](CN1CCC[C@@](C)(C#N)C1)c1cc(F)cc(F)c1 590648738 CGUAKAHVNDVGPO-WBMJQRKESA-N 278.346 3.694 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)C1CCCC1 590949872 GUTUNIGSNOMEBO-DOTOQJQBSA-N 291.439 3.681 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1=CCCC1 592071441 GEIDEPPQHOBKPA-ZWKOTPCHSA-N 266.388 3.868 30 20 CHED N#CCN(C(=O)CCCC1CC1)c1ccc(Cl)cc1 592651412 FWUPRVAEFNSAEJ-UHFFFAOYSA-N 276.767 3.777 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 593387885 XMDIZALNAACMSV-FUHWJXTLSA-N 292.382 3.636 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 593456153 AWQOAGBZCNHMSH-NSHDSACASA-N 299.374 3.905 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C)CCC1(C)C 594043118 GEYAMZMAOQAALJ-UONOGXRCSA-N 284.403 3.526 30 20 CHED CCC[C@@H](C(=O)N[C@H](C#N)CC)c1ccc(Cl)cc1 597040664 XHZLBZXBMIIVHI-UONOGXRCSA-N 278.783 3.642 30 20 CHED CC(C)(CNC(=O)c1ccccc1CC#N)c1cccs1 601176282 ULNPBWOLIFNQAG-UHFFFAOYSA-N 298.411 3.522 30 20 CHED C[C@](C#N)(NC(=O)C1CCC=CCC1)C1CCCCC1 602104619 TWGIFVTYWFXFHZ-QGZVFWFLSA-N 274.408 3.712 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C[C@H]1CC[C@H](C)C1 602386351 JLLOCNQQTKVNNO-JSGCOSHPSA-N 288.366 3.817 30 20 CHED C[C@@H](CCC#N)CN1CCn2cccc2[C@H]1c1ccccc1 602442325 LYBQEQHESPEXAB-QFBILLFUSA-N 293.414 3.833 30 20 CHED C[C@@H](CCC#N)CN1CCCN(CC2CCCCC2)CC1 602449926 UKFLJGRHTNOUDR-KRWDZBQOSA-N 291.483 3.514 30 20 CHED C[C@H](CCC#N)CN(C)C1CCN(Cc2ccccc2)CC1 602463573 HRHUMQWKUAOEEE-QGZVFWFLSA-N 299.462 3.523 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(C(F)(F)F)cc1 602501447 HJPBEHLIWFDZHI-NSHDSACASA-N 270.298 3.735 30 20 CHED C[C@@H](CCC#N)CNCC(C)(C)c1ccc(F)cc1 602534222 HNPCETWNULQHRG-ZDUSSCGKSA-N 262.372 3.633 30 20 CHED COc1ccc([C@H](NC[C@H](C)CCC#N)c2ccco2)cc1 602686349 PLTHPBXZANLIQV-KDOFPFPSSA-N 298.386 3.907 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1c(F)cccc1Cl 602807655 ZRFNIUAWMAQHDI-SNVBAGLBSA-N 266.747 3.824 30 20 CHED CSc1ccc(CN[C@H](C)c2ccc(C#N)cc2)o1 603423260 LRGTZIUUEWOLSR-LLVKDONJSA-N 272.373 3.724 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])c2ccccc21 603860487 FVKOJKMKWTWJQW-LLVKDONJSA-N 279.299 3.722 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 604511148 SFRXJLMZLDJXGJ-CZUORRHYSA-N 298.386 3.744 30 20 CHED CC#CCN1CCc2sccc2[C@@H]1c1cccs1 607723948 SQAJBJPCCUIPGK-OAHLLOKOSA-N 273.426 3.780 30 20 CHED C=CCCCN1CCC[C@H](Cc2ccc(OC)cc2)C1 607744941 XNISVFBFEADGKV-QGZVFWFLSA-N 273.420 3.916 30 20 CHED Cc1sc(NC(=O)CCCc2ccccn2)c(C#N)c1C 609151991 LSIWRKMBHAAGRU-UHFFFAOYSA-N 299.399 3.593 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)Cc1ccc(C#N)cc1 609645787 SKJHYZDCXIZZPW-OAHLLOKOSA-N 298.430 3.966 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)Cc1ccc(C(C)(C)C)cc1 610805183 IRLKXSWOJOCTQR-INIZCTEOSA-N 286.419 3.581 30 20 CHED CSc1ccc(COc2cccc(F)c2C#N)cc1 611112945 ZXLGAIKYPSZVFD-UHFFFAOYSA-N 273.332 3.998 30 20 CHED Cc1ccncc1[C@H](C)Nc1cccc(F)c1C#N 611299052 KGYXBZLOHSUUNH-NSHDSACASA-N 255.296 3.574 30 20 CHED CC(C)c1cc(CN[C@H](C)c2ccc(C#N)cc2)on1 611438596 ZBBRNJBVNODFDL-GFCCVEGCSA-N 269.348 3.520 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C1(C)C 611527063 PHILJIDNGHDNAU-IIYDPXPESA-N 276.424 3.669 30 20 CHED C=CCN(C(=O)c1cc(C)c(Cl)cc1C)[C@@H](C)COC 617582054 FNIWSEWDGLZIRI-ZDUSSCGKSA-N 295.810 3.620 30 20 CHED C=CC[C@H]1CCCN(C(=O)CNc2cccc(Cl)c2)C1 617784018 LSAUVBPTGZEQQV-ZDUSSCGKSA-N 292.810 3.567 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618803447 INRMYZWYMKKSRS-GDZNZVCISA-N 254.377 3.736 30 20 CHED C=CCC1(NC(=O)c2ccn(C(C)C)c2C)CCCC1 619110436 KKMHMHBUIFFEGB-UHFFFAOYSA-N 274.408 3.996 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2nc(C)cs2)CCCC1 619110698 NQCNNKOIILPFIX-LBPRGKRZSA-N 278.421 3.560 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(OC)cc1Cl 620858529 IFDYJDNLYYKEOF-UHFFFAOYSA-N 281.783 3.823 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1CCc2ccccc2C1 620864449 DVLLGHYVXJMNFV-MRXNPFEDSA-N 271.404 3.653 30 20 CHED C=CCCC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 628907484 JAKSWEPIZKYCOQ-HOTGVXAUSA-N 257.377 3.953 30 20 CHED C=CCC1(NCc2ccccc2C2CC2)CCOCC1 657633635 SYHFEMUQOHRNIM-UHFFFAOYSA-N 271.404 3.779 30 20 CHED C=CC[C@@H]1CCCN(Cc2cc3ccccc3nc2O)C1 661379253 AJWQNTJOAOLMET-CQSZACIVSA-N 282.387 3.729 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 675386268 WAGVPQDLBSQIPH-KBPBESRZSA-N 298.390 3.579 30 20 CHED O=C(NCC#Cc1ccccc1)N(C1CCCCC1)C1CC1 675953633 RVHCYIWIMKDGJL-UHFFFAOYSA-N 296.414 3.545 30 20 CHED C#C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(C)C 700577594 UHSLDOHPPJBARP-AWEZNQCLSA-N 298.213 3.700 30 20 CHED CCCCCCCCCN(C)C(=O)c1ncccc1O 725889321 HUZBTZWSYPGXHJ-UHFFFAOYSA-N 278.396 3.610 30 20 CHED CCCCCNC(=S)Nc1ccc(C#N)c(Cl)c1 726434351 LSWZNOYCHJDQFE-UHFFFAOYSA-N 281.812 3.688 30 20 CHED C#CCCOC(=O)/C=C\c1cccc(OC2CCCC2)c1 727955373 UCWWPMSKZIAANV-QXMHVHEDSA-N 284.355 3.588 30 20 CHED Cc1cc(C=NNc2cnc3ccccc3n2)ccc1F 729145853 ZBQVJCHJCNFRPG-UHFFFAOYSA-N 280.306 3.523 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1nccnc1Cl 733079932 XQAHSRVOXGIPHW-UHFFFAOYSA-N 288.782 3.859 30 20 CHED C=CC[C@@H](C)NC(=O)NCCCCCCC(C)C 735114437 XRYFDRUXYJHTFX-CQSZACIVSA-N 254.418 3.857 30 20 CHED C=CCCCOC(=O)C[C@@H](C)c1ccccc1F 735535301 UHRHTQOODLQLNC-GFCCVEGCSA-N 250.313 3.829 30 20 CHED C#CCN(CC)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 735584978 ZASYXHSVVPDUJA-SNVBAGLBSA-N 299.201 3.719 30 20 CHED COc1cc(/C=C\C(=O)c2cncs2)ccc1SC 735792680 ILSWSSULQQGYBG-HYXAFXHYSA-N 291.397 3.770 30 20 CHED COCC(=NNCc1ccc(Cl)cc1Cl)C(C)C 741459415 AJHQVBGDHIEXTQ-UHFFFAOYSA-N 289.206 3.741 30 20 CHED CC/C(=C\C(=O)N(CCC#N)CC1CC1)c1ccc(C)cc1 741686440 HFJMCSSGNNUIQZ-GHRIWEEISA-N 296.414 3.941 30 20 CHED Cc1nc(Cl)cc(NN=C2C3CC4CC(C3)CC2C4)n1 741766763 VWKLZIPSEDCPST-UHFFFAOYSA-N 290.798 3.662 30 20 CHED Cc1ccoc1C=NNc1cccc(Br)c1 743434128 SGVRBVNAGFMGEI-UHFFFAOYSA-N 279.137 3.797 30 20 CHED CCCCCCCCCn1c([N+](=O)[O-])cnc1C 743543613 WHIKMSVJHLDDGB-UHFFFAOYSA-N 253.346 3.850 30 20 CHED C=CCOCCCC(=O)Oc1cc(C)c(Cl)c(C)c1 744025060 RPVYSRXNNGJYFG-UHFFFAOYSA-N 282.767 3.845 30 20 CHED CCCCCCCOC(=O)CC[C@H]1CC[C@@H](C)O1 744047021 KPSRCXHMOSGYMI-ZIAGYGMSSA-N 256.386 3.848 30 20 CHED CCc1ccc([C@@H](C)CC(=O)OCC2(CC#N)CC2)cc1 744279562 RMYMIPMWEDOXOB-AWEZNQCLSA-N 285.387 3.980 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C/C=C\c1ccccc1 746679251 BFBCDXNMTZLPJF-HPQKFPEESA-N 297.314 3.715 30 20 CHED CC(C)N(C)c1cccc(NC(=O)C#Cc2ccccc2)c1 747224491 ZDBRYBKTHBSRNM-UHFFFAOYSA-N 292.382 3.521 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](OC)C1 752473688 MDJNXSAFEISITG-OAHLLOKOSA-N 269.429 3.765 30 20 CHED C#C[C@@H](CC)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 754357906 PXGHGXAZXJTSFM-INIZCTEOSA-N 298.773 3.544 30 20 CHED C#CCOc1cc(F)ccc1NCc1cc(F)cc(F)c1 756028929 KRQQAFFJRJTVNU-UHFFFAOYSA-N 291.272 3.728 30 20 CHED Fc1cccc(C=NNCc2cccc(Cl)c2)c1F 756827616 PYJQYSIUSNSYBF-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C#CC[C@H](N=c1cc[nH]c2ccccc12)c1ccccc1 756954392 YQVXTXKSLPUGQI-KRWDZBQOSA-N 272.351 3.833 30 20 CHED C#CC[C@H](Nc1ccc(Cl)cn1)c1ccccc1 756957056 KHBUNQBVFTZIJB-AWEZNQCLSA-N 256.736 3.912 30 20 CHED CC(=NN=C1CCCc2c(Cl)cccc21)c1cnccn1 758124026 LPXABZQNYRWHLY-UHFFFAOYSA-N 298.777 3.680 30 20 CHED C#CCCN1CCC(c2ccccc2C(F)(F)F)CC1 760847702 OQKGNSSCNGJQPE-UHFFFAOYSA-N 281.321 3.908 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccncc1 761476020 PVKUJSPYYCXACI-IWQZZHSRSA-N 279.126 3.680 30 20 CHED CC[C@H]1CCCC1=NNc1ccc(F)cc1OC 761884949 NMSBEIBZVTVNHS-JTQLQIEISA-N 250.317 3.812 30 20 CHED C#CCCc1noc(C(C)(C)c2ccccc2Cl)n1 762023073 IUCWNUIBSIOHMW-UHFFFAOYSA-N 274.751 3.615 30 20 CHED CCCCCCCCCNC(=O)c1ccn(C)c1 763243342 PQYJOAAKGONRAA-UHFFFAOYSA-N 250.386 3.506 30 20 CHED Cc1cc(C=NNc2cccc(Cl)c2)ccc1C#N 766431972 SNUKFIHIDZPHDM-UHFFFAOYSA-N 269.735 3.966 30 20 CHED COc1cc(C#N)ccc1COC(=O)CCC1CCCC1 766866820 YHTLKCZAIGTRPM-UHFFFAOYSA-N 287.359 3.580 30 20 CHED CCON=Cc1cc2ccccc2nc1N1CCCCC1 767469558 NSOWXQMIGDNRKA-UHFFFAOYSA-N 283.375 3.596 30 20 CHED Cc1ccc(SCC(=O)OCC2(C#N)CCC2)c(C)c1 768104959 JLIWNWXMFOIQHO-UHFFFAOYSA-N 289.400 3.633 30 20 CHED C=CCCOC(=O)c1cnc(Cl)c2ccccc12 769198116 IBRAAVBDCZLPRO-UHFFFAOYSA-N 261.708 3.621 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C/c1ccccc1F 770241681 WFBKSXHVGFBZFA-MDZDMXLPSA-N 280.302 3.658 30 20 CHED C[C@@H](C#N)COC(=O)c1sc2ccccc2c1Cl 770945925 WSYOXGCEQQCIJX-QMMMGPOBSA-N 279.748 3.871 30 20 CHED CCC(CC)(CC)C(=O)OCc1cc(C#N)ccc1OC 772283680 LOBADLHLUUEKOA-UHFFFAOYSA-N 289.375 3.826 30 20 CHED C#CCCCCN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 773041909 TUVKAYPOYJENFY-OAHLLOKOSA-N 297.320 3.966 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1Cc1ccccc1C 773387926 CJSBKVOWSQYYQS-GOSISDBHSA-N 283.415 3.722 30 20 CHED C=C(CC)COC(=O)CSc1ccc(F)c(F)c1 773482023 JIIZKFACAAQMAG-UHFFFAOYSA-N 272.316 3.566 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CNCc1ccc(C#N)cc1 775306505 MGKQACDCUPNHIJ-PBHICJAKSA-N 254.377 3.640 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 775942739 LITGCARNUSOZTG-FICVDOATSA-N 285.387 3.709 30 20 CHED C=CCSc1ccccc1C(=O)OCc1cscn1 777076744 SMESHJADZMCMOR-UHFFFAOYSA-N 291.397 3.778 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc2c(c1)COC2 777932002 DRLRLLAQVQQQLK-UHFFFAOYSA-N 264.328 3.509 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)c1ccccc1F 778533850 YQBHPDLNZWFBLH-UHFFFAOYSA-N 286.306 3.750 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C(\C)C(C)(C)C 778986425 IAEYDNRWCATLIW-BUHFOSPRSA-N 275.392 3.829 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(N(C)C)c(F)c1 779588598 BQDBSERNGIGZEP-UHFFFAOYSA-N 283.350 3.684 30 20 CHED C#CCCCCCC(=O)N[C@@H](c1nc(C)cs1)C1CC1 779968325 ZAIHXLYMGUJZQY-OAHLLOKOSA-N 290.432 3.603 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccccc2)s1 780339419 RHGIKLUQEQLOPX-JTQLQIEISA-N 261.375 3.599 30 20 CHED COc1ccc(Cl)cc1C(=O)OCCCC(C)(C)C#N 781840830 BQJXXSSJZHUCTK-UHFFFAOYSA-N 295.766 3.835 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2sccc2Cl)c1 782120162 UNQRJXYOWBRUQZ-UHFFFAOYSA-N 281.724 3.756 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1csc(C2CC2)n1 782299552 IBRSWZGKUASWIN-GFCCVEGCSA-N 263.410 3.523 30 20 CHED COc1ccc2nc(NN=C(C)[C@H]3CCCO3)c(C)cc2c1 783864975 YQDQFKFICVFIJL-MRXNPFEDSA-N 299.374 3.519 30 20 CHED CC(C)[C@@H](F)C(=O)Nc1ccccc1SCCC#N 784095915 OZQORYVVXNTBNF-CYBMUJFWSA-N 280.368 3.625 30 20 CHED CC(C)Cc1ccc(COC(=O)CC(C)(C)C#N)cc1 785087684 XYUJSEXULUYSHW-UHFFFAOYSA-N 273.376 3.868 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)nc1Cl 785859185 WTQANMDFGQSCLX-VIFPVBQESA-N 285.174 3.569 30 20 CHED C=C(Cl)CN(CCC)[C@H](C)C(=O)Nc1ccccc1C 786130733 HHLPBQWQYJYWLK-CQSZACIVSA-N 294.826 3.787 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1snnc1C 787996216 PTUPUPNBRFERLE-LLVKDONJSA-N 283.441 3.573 30 20 CHED CCSc1ccccc1C(C)=NNCCc1ccccn1 789112794 LEIVUFAWANFECH-UHFFFAOYSA-N 299.443 3.750 30 20 CHED CC(=NNc1ncccc1C)c1nc2ccccc2s1 790190315 JESUYNUTKJVVGW-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1c1cccc(C)c1 791065374 RCMVPCONQCIUSE-IRXDYDNUSA-N 284.403 3.643 30 20 CHED CC(CN1Cc2ccccc2C1)=NNc1c(C)cccc1F 792642305 LZGKILCYMBRGQQ-UHFFFAOYSA-N 297.377 3.938 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Oc1ccc(C#N)cc1OC 792864355 AXMFGERQXDOCMM-ZIAGYGMSSA-N 287.359 3.689 30 20 CHED C=CCCCCC[C@H](C)NC1CCC2(CC1)OCCO2 793525538 VXEZKLMSMGSOGL-HNNXBMFYSA-N 281.440 3.787 30 20 CHED CCc1cccc(Cl)c1C=NNCCC(F)(F)F 794547043 XNKQAHZOAGHERH-UHFFFAOYSA-N 278.705 3.778 30 20 CHED C[C@@H]1CSCC1=NNc1ccccc1Br 794887564 HAOQCCCRWFTRHS-MRVPVSSYSA-N 285.210 3.600 30 20 CHED CCC(CC)CNN=C1CCC[C@H]1c1ccccn1 794930257 FXBYXFFAQQXAFY-AWEZNQCLSA-N 259.397 3.731 30 20 CHED CC(C)c1ccc(/C=C2/CCc3nn(C)cc3C2=O)cc1 794965423 SCELWVRDPHZKBX-GDNBJRDFSA-N 280.371 3.756 30 20 CHED C=CCC(C)(C)C(=O)OCCCCOC(C)(C)C 796455273 OBKAJZZTSCXBHG-UHFFFAOYSA-N 256.386 3.727 30 20 CHED CC/C(=C/C(=O)NCC1(CC#N)CC1)c1ccc(C)cc1 797564301 PHBSFVTZBLHKLM-QINSGFPZSA-N 282.387 3.599 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)NCC1(CC#N)CC1 797564584 SVQDFXCJNIJSIJ-XFXZXTDPSA-N 288.778 3.553 30 20 CHED C=CC[C@@H](CC)NS(=O)(=O)/C=C/c1ccccc1Cl 798467108 LDCHARBLZPXHIA-OCHBPSSRSA-N 299.823 3.585 30 20 CHED C=C[C@@H](OC(=O)c1cccc(NC(=O)OC)c1)C(C)(C)C 798903132 ROXIVICMJWSMBS-CYBMUJFWSA-N 291.347 3.622 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1cnoc1C 799479290 MNDBHDFZSMKWPT-UHFFFAOYSA-N 267.691 3.612 30 20 CHED COc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1OC(C)C 799723571 MOLPSCQKWJBXJN-CHWSQXEVSA-N 274.364 3.587 30 20 CHED CCCCCCCCCC(=O)N1CCOCC12CC2 801741418 KHNPIBBSXJBDMW-UHFFFAOYSA-N 267.413 3.519 30 20 CHED C[C@H](C#N)OCCN[C@H](CC1CCCC1)c1ccccc1 801938899 KCYKDWWSHVXBKA-CRAIPNDOSA-N 286.419 3.826 30 20 CHED CC[C@](C)(C#N)C(=O)OCCSc1ccc(C)c(C)c1 803783814 FEBDAKSLRDIRFY-MRXNPFEDSA-N 291.416 3.879 30 20 CHED C[C@H]1CCC[C@H](C=NNc2nccnc2C2CCC2)C1 807991795 SUYZYIWDUDTMIU-STQMWFEESA-N 272.396 3.968 30 20 CHED C#CCCCN[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 808699473 HOGDDCLEEFXSHW-QGZVFWFLSA-N 266.388 3.857 30 20 CHED C#CCCc1noc(C[C@@H]2C[C@@H](C)c3c(C)cccc32)n1 809397380 QCJNBSABLUVYTL-KGLIPLIRSA-N 280.371 3.777 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)cs2)n1 809500458 LLJRBQSZEUIXPN-UHFFFAOYSA-N 254.742 3.960 30 20 CHED C#Cc1ccc(CNCc2ccccc2OC(F)F)cc1 809603475 GDWYRFVGLMWXNV-UHFFFAOYSA-N 287.309 3.559 30 20 CHED C#Cc1ccccc1CC(=O)OCCCSC(C)(C)C 810656667 RGQQCKGRBAKMAR-UHFFFAOYSA-N 290.428 3.675 30 20 CHED C[C@H](COc1ccccc1)NN=C/C=C\c1ccccc1 811668749 SRMXNHVRVNERFM-OTJSCRQKSA-N 280.371 3.743 30 20 CHED COc1cc(C=NOC/C=C/Cl)ccc1SC 811669062 BIWZOUMNQDUTRB-PSWGYPDDSA-N 271.769 3.520 30 20 CHED CCC(=NOC/C=C\Cl)c1cc(F)ccc1F 811671512 SKGBKLQIDBXRHZ-DSWLTXPOSA-N 259.683 3.848 30 20 CHED N#CCOc1ccc(CN[C@H](c2cccs2)C2CC2)cc1 812358077 GNARPWHHDVMOJX-KRWDZBQOSA-N 298.411 3.891 30 20 CHED CCC#C[C@H](C)N(Cc1ccc(Cl)cc1)OC 812910542 ILPCXSGUGBZPDM-LBPRGKRZSA-N 251.757 3.505 30 20 CHED C=CCCCCCCCNC(=O)c1ccnc(F)c1F 813256627 IDPSLAMLNJUGKD-UHFFFAOYSA-N 282.334 3.616 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)C1CCN(C)CC1 814688866 NYERNVVZIRSTNO-UHFFFAOYSA-N 299.340 3.835 30 20 CHED CCON=C(C)c1sc(-c2ccc(OC)cc2)nc1C 814788422 TXWHAUWDBCMSQJ-UHFFFAOYSA-N 290.388 3.888 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(C(C)C)nc2C)c1 814861923 BPEGOHGUBKTYEQ-UHFFFAOYSA-N 278.355 3.747 30 20 CHED CC(C)c1cnc(C=NN[C@@H]2CCCC2(C)C)s1 814917929 WGIZGOBUGWHUJA-GFCCVEGCSA-N 265.426 3.769 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NN=C1CCC[C@H](C#N)C1)C2 814919098 LBKUNXZDGKBJDV-LBEHMCEESA-N 273.424 3.861 30 20 CHED Brc1ccc2c(c1)CCC2=NOC1CCC1 814936276 IDQLSDCZCLOURO-UHFFFAOYSA-N 280.165 3.669 30 20 CHED C=CCC(F)(F)C(=O)Nc1ncc(C(C)(C)C)s1 815715263 AUEPAMNHVWMORM-UHFFFAOYSA-N 274.336 3.591 30 20 CHED N#CCCCCCC(=O)OCC[C@H]1CC1(Cl)Cl 820666058 ZTYURUFRPJKLHZ-JTQLQIEISA-N 278.179 3.588 30 20 CHED CC[C@@H](NC(=O)C#CC(C)C)c1ccc(Cl)s1 827775543 GHGQKKVWVUQWDS-SNVBAGLBSA-N 269.797 3.628 30 20 CHED N#Cc1ccc(COC(=O)C2CC3(CCC3)C2)c(Cl)c1 830626055 PIWULUGQSLPYDC-UHFFFAOYSA-N 289.762 3.835 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1ccc2ccccc2n1)OC 834919569 JBLBZMXECKXVSK-IUODEOHRSA-N 271.364 3.694 30 20 CHED CC[C@H](C)[C@@H](C=NNc1ncc(Cl)cc1Cl)OC 834925871 FXXPCJJSSDXJEW-GZMMTYOYSA-N 290.194 3.847 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1cc(C)sc1C 834995998 NCXINJSIHZFAHH-VIFPVBQESA-N 264.316 3.629 30 20 CHED C=CCC1(NC(=O)/C=C/c2cnccc2C)CCCCC1 836957700 WRQCMZKYMOINMI-BQYQJAHWSA-N 284.403 3.798 30 20 CHED Cc1ccc(C(=O)Nc2scnc2C(C)C)cc1C#N 836980768 OEKDETWADRLION-UHFFFAOYSA-N 285.372 3.699 30 20 CHED Cc1ccc([C@H](NC(=O)C#CC(C)(C)C)C2CC2)cc1 837323637 QHVWEQZIWNBRDN-KRWDZBQOSA-N 269.388 3.612 30 20 CHED COc1ccc(NC(=O)C#CC(C)(C)C)c(C(F)(F)F)c1 837355245 KPOFJDOIXSYXTL-UHFFFAOYSA-N 299.292 3.702 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)OCCCC(C)(C)C#N 837975652 UOEMVKAJIHKSLU-CHWSQXEVSA-N 251.370 3.542 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cccc(OC(F)F)c2)C1 839043271 IYGVVNCJIKSNQF-JQWIXIFHSA-N 295.285 3.527 30 20 CHED CC(C)(C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 839054454 OJDWDNLXDVDGJN-SWLSCSKDSA-N 289.350 3.729 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2csc(Cl)c2)C1 839058107 JDERJBAGAQIUJL-PSASIEDQSA-N 269.753 3.641 30 20 CHED N#CC1(CCOC(=O)/C=C/c2ccco2)CCCCC1 840013351 VOTQUPSZYCEUAZ-VOTSOKGWSA-N 273.332 3.700 30 20 CHED CC[C@H]1C[C@@H](C(=O)OCCC2(C#N)CCCCC2)CCO1 840422088 GZFLUXQQMJIGSZ-GJZGRUSLSA-N 293.407 3.599 30 20 CHED C=C(C)CCNC(=S)Nc1ccc(OC(F)F)cc1 840791243 CIVRAQDNNVXQFF-UHFFFAOYSA-N 286.347 3.541 30 20 CHED C=CC(C)(C)CNC(=S)NCCCCCCSC 840794526 KOXVCRHZSCVOFZ-UHFFFAOYSA-N 288.526 3.586 30 20 CHED N#CC1(CNCc2ccc(SC(F)F)cc2)CCC1 841899690 XUAKWTREQYZJFS-UHFFFAOYSA-N 282.359 3.785 30 20 CHED CCc1nc(C(C)C)ccc1CON=C1CCCOCC1 842038453 GPJFFYFNBFUVBH-UHFFFAOYSA-N 290.407 3.841 30 20 CHED CC[C@H](C#N)C(=O)N(CC(C)C)c1ccc(C)cc1 846250219 WZDBXZUEBLIXDR-CQSZACIVSA-N 258.365 3.534 30 20 CHED C=C[C@@H](OC(=O)CCCc1cccnc1)C(C)(C)C 851007743 CPGAPHCZPDSFNQ-CQSZACIVSA-N 261.365 3.548 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCc1ccccc1F 851213998 MTHNRWQPTWIHMI-GFCCVEGCSA-N 277.339 3.630 30 20 CHED CC(=NNc1ncc(Cl)cn1)[C@H]1C[C@H]2C=C[C@H]1CC2 857221256 WRMTXDQRJONOPT-GMXVVIOVSA-N 276.771 3.520 30 20 CHED C#CCCOC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 858904528 TUPCOOMQWYSHPJ-AWEZNQCLSA-N 277.339 3.662 30 20 CHED C=CCC(F)(F)C(=O)N1CC(C)(C)CCC1(C)C 862587084 IVGLGMOGYURWOH-UHFFFAOYSA-N 259.340 3.625 30 20 CHED CC(=NNc1ccc(F)c(Cl)c1)[C@@H]1CCCOC1 863178788 FRNMXPOYNBFCDQ-SNVBAGLBSA-N 270.735 3.694 30 20 CHED Cn1ncc(C2CC2)c1C=NNc1cc(Cl)ccc1F 872418287 JIFCDXNLFGMYSC-UHFFFAOYSA-N 292.745 3.536 30 20 CHED C=CCC(CC=C)C(=O)Oc1cccc(C(C)=O)c1F 873640395 GOBNNJYUKYCNCO-UHFFFAOYSA-N 276.307 3.702 30 20 CHED C#CCCCCCCN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 876938969 CSLYICIZOIPKJL-HNNXBMFYSA-N 298.430 3.806 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1)C(F)F 880110102 LZEBQLSNIHPVEU-ZDUSSCGKSA-N 267.319 3.711 30 20 CHED C=CC[C@@H](C(=O)N1CCC[C@H](CF)C1)c1ccccc1 881599849 DFNMNNUFWNFWBW-GDBMZVCRSA-N 275.367 3.554 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(C)c1snc(C)c1C#N 891425979 POAVJTOFYFYKTK-NEPJUHHUSA-N 291.420 3.502 30 20 CHED C=C1CCC(C(=O)O[C@@H](C)c2cncc(F)c2)CC1 891489254 WJLURWLLXIIRRX-NSHDSACASA-N 263.312 3.571 30 20 CHED C#Cc1cncc(-c2noc([C@@H]3CCC(C)=C(C)C3)n2)c1 896554800 HWWYHYFTDYQGSJ-CQSZACIVSA-N 279.343 3.717 30 20 CHED C=C1CCC(C(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 897002075 QYUNAISVIOOVLE-SFHVURJKSA-N 298.430 3.836 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(CN(CC)CC)cs1 898312830 OOSUHMISCHBLNQ-OAHLLOKOSA-N 295.452 3.526 30 20 CHED CC(=NOC[C@H]1CCOC1)c1csc2ccccc12 901227311 LSOWHQPUPNGGJD-LBPRGKRZSA-N 275.373 3.678 30 20 CHED Cc1ccc(C(=O)/C=C/c2cncn2C(C)C)c(C)c1 901431939 ZCDVUWOHTSDDFQ-SOFGYWHQSA-N 268.360 3.977 30 20 CHED C=C(C)C[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)O 901680361 WUMBGCWWGOLXDA-ILXRZTDVSA-N 281.440 3.990 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1sc(CC)cc1C#N 902773663 IOLJNMXCVSHREE-JTQLQIEISA-N 262.378 3.723 30 20 CHED CC[C@@H](NCC(C)(C)SC)c1cccc(C#N)c1 902828109 WLVSSLHBNJGDPE-CQSZACIVSA-N 262.422 3.741 30 20 CHED CC[C@@H](Nc1ccc(C)nc1)c1cccc(C#N)c1 902919978 RUHDRFXDGAEXKQ-MRXNPFEDSA-N 251.333 3.825 30 20 CHED CCSC1(CN[C@@H](CC)c2cccc(C#N)c2)CC1 903054361 JRYFZJOUCAIBCJ-HNNXBMFYSA-N 274.433 3.885 30 20 CHED N#CC1(CN[C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 903105628 GJUBSEGZZQZYSQ-GFCCVEGCSA-N 281.186 3.874 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccc3c(c2)CCC3)no1 904722525 WLDOBVQOBXSVFW-OAHLLOKOSA-N 283.375 3.581 30 20 CHED C=CC[C@H](c1ccccc1)c1nc(-c2ccc(F)cn2)no1 904935793 BJTPRMRFSFXXMF-CQSZACIVSA-N 295.317 3.979 30 20 CHED Cc1cc[nH]c1C(=O)Nc1scc(C(C)(C)C)c1C#N 905780356 VGGVQESTXNGVNF-UHFFFAOYSA-N 287.388 3.806 30 20 CHED C=CCN(Cc1ccccc1)C[C@@H]1CC1(Cl)Cl 914595793 KICHRZWEJVONFT-ZDUSSCGKSA-N 270.203 3.868 30 20 CHED C=CCN(C(=O)c1cnc(-c2ccccc2)s1)C(C)C 915854297 BCFPQRVDYKHGOZ-UHFFFAOYSA-N 286.400 3.847 30 20 CHED CCCNN=C(C)c1cc2cccc(OCC)c2o1 915965170 IPYJDTONGXHOPV-UHFFFAOYSA-N 260.337 3.555 30 20 CHED CCCOc1c(Cl)cc(C=NNCC(C)C)cc1OC 916543100 HWLGSZAVRHXZRY-UHFFFAOYSA-N 298.814 3.717 30 20 CHED COCCOc1ccc(SCC2(C#N)CCCC2)cc1 917491583 XAKFSRLPKMPLRH-UHFFFAOYSA-N 291.416 3.888 30 20 CHED CCCCCCCOC(=O)Cc1ccc(OC)c(F)c1 918493198 JUWSUSSECWDPSC-UHFFFAOYSA-N 282.355 3.890 30 20 CHED C=CCN(C(=O)c1cc2cc(C)ccc2o1)C(C)C 918592845 SHJUQSDSSVXSDM-UHFFFAOYSA-N 257.333 3.778 30 20 CHED CCc1ccsc1C(=O)OCc1ccc(C#N)cc1F 919742834 XLHJJAUAKDWVDY-UHFFFAOYSA-N 289.331 3.678 30 20 CHED CCOc1ccc(/C=N\Cc2ccc(C)c(OC)c2)c(O)c1 920174806 QQQHBXXXUROZJW-UNOMPAQXSA-N 299.370 3.727 30 20 CHED CC(C)(C)c1ncc(C=NNCc2ccccc2)s1 920364837 XGSRENCKCJOWMX-UHFFFAOYSA-N 273.405 3.564 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1ccncc1 921137870 QIHKVHVDPGHSFW-UHFFFAOYSA-N 263.703 3.710 30 20 CHED Cc1nc2cc(N[C@H](C)CC(C)(C)C#N)ccc2n1C 926099096 PBGUCJPABDZOCC-LLVKDONJSA-N 270.380 3.622 30 20 CHED C=C[C@@H](CC)CC(=O)NCCc1csc(C(C)C)n1 931562500 LJGACSFQZKMNRW-LBPRGKRZSA-N 280.437 3.528 30 20 CHED CC[C@H](C)[C@H](NC(=O)c1cc(C#N)ccc1C)C(F)(F)F 935672276 RUXPFZGLNGLISH-ZANVPECISA-N 298.308 3.574 30 20 CHED CCCC[C@@H](CC)COC(=O)c1ccc(C#N)c(C)n1 1116603773 QKGIJZUOWVTEJX-CYBMUJFWSA-N 274.364 3.635 30 20 CHED CC[C@H](C#N)OC(=O)/C=C/c1cc(Cl)cc(Cl)c1 1116688235 KKXFNOGYXNAIMO-AAOUONPWSA-N 284.142 3.852 30 20 CHED C#Cc1ccc(N[C@@H](C)CCCC(F)(F)F)nc1 1120926266 BYXITNGLGGNEHB-JTQLQIEISA-N 256.271 3.596 30 20 CHED N#Cc1ccccc1N(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)C1CCC1 1130950541 LWZKIDMLKGYBRA-ZQIUZPCESA-N 294.398 3.880 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1Sc1ncco1 1186315731 JOQPDPSCVOJAMU-UHFFFAOYSA-N 287.731 3.899 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)[C@H]1CCC[C@@H](C)C1 1186713200 KBHUDHPHZORDJA-MDZLAQPJSA-N 261.344 3.719 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)Nc1cccc(C#N)c1 1197550129 OAVGMTFPSBEUMI-LRDDRELGSA-N 271.364 3.649 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CCOC(C)(C)C2)C(C)C)c1 1262733706 AWLKJZHZKPDXMP-INIZCTEOSA-N 299.414 3.615 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccsc2C#N)C1 1265030033 PAXLWUGKDYLNEU-NEPJUHHUSA-N 276.405 3.564 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@H]1Cc1ccccc1 1307689377 BGPCEJBUZGFXIB-LSDHHAIUSA-N 294.236 3.896 30 20 CHED CC(C)N(CCC#N)[C@@H](C)c1nccc2ccccc12 1308587044 RHMFTZBTTVJEOV-AWEZNQCLSA-N 267.376 3.920 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 1320306109 MHEZBRWQLJTJNE-DTWKUNHWSA-N 292.181 3.984 30 20 CHED C=CCCCCCCCNC(=O)[C@@H](C)n1cccc1 1323980291 WMKAJWBNGXVMDJ-OAHLLOKOSA-N 262.397 3.692 30 20 CHED Cc1ccccc1NC(=N)NCc1ccc(C#N)c(Cl)c1 1326907259 PTTPPIHRCWLUAU-UHFFFAOYSA-N 298.777 3.657 30 20 CHED CC[C@@H](C)CC(=O)N(c1ccccc1C#N)C1CCC1 1331918666 TYVYAYPQFWQGGG-CYBMUJFWSA-N 270.376 3.880 30 20 CHED O=C(CC#Cc1ccccc1)NC1(c2ccccc2)CCC1 1332929673 QBYIJZXLIGEZKR-UHFFFAOYSA-N 289.378 3.624 30 20 CHED C/C(=C\C(=O)OCc1ccc(C#N)s1)C(C)(C)C 1333181538 IMKJSAMVGTYGNR-JXMROGBWSA-N 263.362 3.655 30 20 CHED CCOc1cccc(/C=N/[C@@H](C)c2ncccc2C)c1O 1337620444 BGPNRZYXYDBPHB-MDBUFAAASA-N 284.359 3.674 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 1346835797 JNJLPJDJXDDYHT-QGZVFWFLSA-N 286.419 3.772 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(F)cc1C#N 1465800873 XIEMISYFOXRURF-JTQLQIEISA-N 277.343 3.644 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1cc(F)cc(C#N)c1 1467160958 WEXOAEXOJLQVNH-UHFFFAOYSA-N 297.333 3.670 30 20 CHED Cc1cc(C#N)nc(NCC(C)(C)C2CCCCC2)n1 1472734739 RCWARBOTDBJCAA-UHFFFAOYSA-N 272.396 3.675 30 20 CHED C[C@H]1CCCC[C@H]1OCCN1CCCc2cc(C#N)ccc21 1473508055 SQJAWMICHXDXKE-HNAYVOBHSA-N 298.430 3.906 30 20 CHED CC[C@H]1CN(Cc2ccc(Cl)cc2C#N)[C@H](CC)CO1 1473618691 UOLUVBPNTRKPAC-CVEARBPZSA-N 292.810 3.601 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc(CC#N)c1 1543578663 HOUGWULHHFUHPD-CYBMUJFWSA-N 296.345 3.709 30 20 CHED CCc1csc(N(C)[C@H](C)c2cccc(C#N)c2)n1 1559218871 URLRFIUGXCRRLK-LLVKDONJSA-N 271.389 3.775 30 20 CHED N#Cc1ccc(CNCc2cccc3ncccc23)c(F)c1 1560580358 SAZHEIUFNZILGG-UHFFFAOYSA-N 291.329 3.535 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1Cc2c(C)cccc2N1 1574907264 GRNIPFXPTDVIBB-KRWDZBQOSA-N 286.419 3.584 30 20 CHED Cc1cccc(-c2cccc(C(=O)N(C)[C@@H](C)C#N)c2)c1 1583900336 NRMANUYKZSSUBU-AWEZNQCLSA-N 278.355 3.646 30 20 CHED C=CC[C@@H](S[C@H](C)c1ccc(F)cc1)C(=O)O 1588759209 RKGUEHGWBFGBAS-BXKDBHETSA-N 254.326 3.649 30 20 CHED C[C@H](NN=C1CCC[C@H](CCCC(=O)O)C1)C(C)(C)C 1593318167 BLQRDAJFKVFJNZ-QWHCGFSZSA-N 282.428 3.812 30 20 CHED C[C@H](SCc1ccc(C(=O)O)cn1)c1cccc(C#N)c1 1593661426 AFCALGYYMHFBQB-NSHDSACASA-N 298.367 3.646 30 20 CHED C=CC[C@@H](C)S[C@H](Cc1ccc(C)cc1)C(=O)O 1602837524 ZMKYHTSKADNCCN-TZMCWYRMSA-N 264.390 3.689 30 20 CHED N#CCCC[C@@H](NCc1ccoc1C(=O)O)c1ccccc1 1610621743 QJDIODYQLMLUBF-OAHLLOKOSA-N 298.342 3.503 30 20 CHED CSc1cccc(F)c1CNc1ncc(C#N)cc1F 1642674862 QNZBDJQXFJXYJA-UHFFFAOYSA-N 291.326 3.565 30 20 CHED COc1cccc(COc2cccc(C#N)c2)c1Cl 1643600413 UPWLIOGPUNZNFE-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1Cc1cc(C#N)ccc1OC 1657639182 MYRWXIYBHMZYBF-RHSMWYFYSA-N 286.419 3.967 30 20 CHED Cc1ccc(Cl)cc1NN=C1CC[C@@H](CC(=O)O)[C@@H]1C 1776106537 KFFNWBCYNQAQEL-QWRGUYRKSA-N 294.782 3.937 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1cccc(C(=O)O)c1)C2 1777455731 RQTUBZDSNSMTDA-OQLLNIDSSA-N 278.307 3.516 30 20 CHED CC(C)(C)CCC(=O)N(CCC#N)CC(C)(C)C 344515518 KNIDSSQIBKSIEC-UHFFFAOYSA-N 252.402 3.601 30 20 CHED CC[C@@H](CSC)Nc1ccc(C#N)cc1Br 135521246 LNRQBWLSIVVNGI-JTQLQIEISA-N 299.237 3.874 30 20 CHED Cc1cc(F)ccc1C(=O)Nc1cccc(C#N)c1C 178291337 CKLCXRRZNQVRRD-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=C(C)CN[C@H](C)c1ccc(OCC)c(OCC)c1 177912365 HKUCLXVAUCVUOH-CYBMUJFWSA-N 263.381 3.711 30 20 CHED C=CCOc1ccccc1C(=O)N(C)c1ccccc1F 171447197 KBFOLVWAZHHZAG-UHFFFAOYSA-N 285.318 3.667 30 20 CHED C[C@@H]1CN(c2ncc(C#N)cc2Cl)[C@@H]2CCCC[C@@H]12 302205042 WQWKQJKHZPJRCP-SCDSUCTJSA-N 275.783 3.622 30 20 CHED CCSCC[C@@H](C)NC(=O)Nc1cc(C#N)ccc1C 175748764 PZNVDUQIFOXTCK-GFCCVEGCSA-N 291.420 3.520 30 20 CHED CC[C@@H](N[C@H](C)C1(OC)CCC1)c1ccc(C#N)cc1 414312503 WPSHZDYXXKCJNN-CZUORRHYSA-N 272.392 3.557 30 20 CHED CCCn1c(-c2ccc(C#N)o2)nc2ccccc21 173743221 KEKNYOCTDOKVDA-UHFFFAOYSA-N 251.289 3.578 30 20 CHED C=CC1CCN(C(=O)CCc2ccc(CC)cc2)CC1 110368871 UXPRBTMGFIQOQH-UHFFFAOYSA-N 271.404 3.606 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1SC1CCCC1 357824742 JQGUXXQWUIATSE-LLVKDONJSA-N 274.389 3.819 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1C 116805750 JJLGZAUVUOFNHR-SJCJKPOMSA-N 270.376 3.506 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1CCC1CCCC1 501739582 AZCQHGITPBPAKU-HNNXBMFYSA-N 276.424 3.888 30 20 CHED COc1ccc(-n2ccnc2SCCCCC#N)cc1 122053179 YYRNMPOMSANZEM-UHFFFAOYSA-N 287.388 3.667 30 20 CHED CCCN(C)c1c(C#N)cnc2ccc(OC(F)F)cc12 301111580 SAEYOLAJHHYUQC-UHFFFAOYSA-N 291.301 3.554 30 20 CHED N#C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 176081804 FXYLHKIIBUZOGO-BZSNNMDCSA-N 291.350 3.789 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 177731897 VRDYGTRXFSDEKN-JHJVBQTASA-N 282.343 3.830 30 20 CHED CCC1CCC(CNC(=O)Nc2cccc(C#N)c2)CC1 60600702 IKGYECGYYXWONA-UHFFFAOYSA-N 285.391 3.896 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccnc2c(F)cccc12 302714936 XXZYYPQYEPOGIS-UHFFFAOYSA-N 291.329 3.882 30 20 CHED C=C(C)CN(C)c1c(C#N)cnc2c(C)cc(F)cc12 302047823 NWQZURQYVMMKHD-UHFFFAOYSA-N 269.323 3.566 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H](c2ccccc2)CC1 128249084 GIAPNYBYOPZRGH-ZBFHGGJFSA-N 272.392 3.540 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc(CC#N)c1 178111981 ICNDGRHQKSVMBL-PBHICJAKSA-N 284.403 3.793 30 20 CHED N#Cc1ccccc1CN1CCC(OC2CCCCC2)CC1 125548658 PWDRXCQUOGXODR-UHFFFAOYSA-N 298.430 3.872 30 20 CHED C=CCOCCCC(=O)N(Cc1ccccc1)C(C)(C)C 185539817 KSJHONANHDKXLO-UHFFFAOYSA-N 289.419 3.797 30 20 CHED CC[C@@H](C#N)Nc1cccc2c1CN(CCC(C)C)C2 122231318 MVMNQQRHHPQRGM-HNNXBMFYSA-N 271.408 3.762 30 20 CHED C#Cc1cccc(N(C)CCCc2cccc(OC)c2)c1 303866162 HHLAVLKHLNGMIV-UHFFFAOYSA-N 279.383 3.746 30 20 CHED C=C(C)CCOC(=O)c1oc(-c2ccccc2)nc1C 181763016 GYDANZSAZSGRKZ-UHFFFAOYSA-N 271.316 3.773 30 20 CHED N#CCCCCSc1ccc(Br)cn1 70614899 KHUFTJADYSUESR-UHFFFAOYSA-N 271.183 3.630 30 20 CHED N#CCCCCSc1nnc(-c2ccc(Cl)cc2)[nH]1 123057904 MZJLTIGUDFQGST-UHFFFAOYSA-N 292.795 3.911 30 20 CHED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)Cc1ccccc1 185831606 DSDZWTCVXIWCNX-IRXDYDNUSA-N 270.420 3.927 30 20 CHED Cc1ccccc1C1CCN([C@H](C)CCC#N)CC1 411255686 QDOGVYKXQKTSOW-OAHLLOKOSA-N 256.393 3.867 30 20 CHED C=CCC[C@H](C)N[C@H](COCC(C)C)c1ccco1 184199509 JLFYLUNAJMTOOA-LSDHHAIUSA-N 265.397 3.938 30 20 CHED CC1CCC(Nc2ccc(F)cc2OCC#N)CC1 181547571 NEICECHKZYYNCJ-UHFFFAOYSA-N 262.328 3.719 30 20 CHED COc1c(F)cc(NCC(C)(C)CCC#N)cc1F 157067624 BSUGWBLRTHINHR-UHFFFAOYSA-N 268.307 3.715 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccccc1 121717153 NFZAKZFSTGOCAN-RYQLBKOJSA-N 283.415 3.995 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](Cc1ccccc1)C1CC1 77646427 GSYCAXDATWYGDD-QGZVFWFLSA-N 286.419 3.615 30 20 CHED CCC1(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CC1 505913653 VOALFZHPCFRJRW-GFCCVEGCSA-N 296.292 3.576 30 20 CHED C[C@H]1C[C@]1(NCCCSCC#N)c1ccc(Cl)cc1 503428726 HVNQQJZOQZRLTM-SWLSCSKDSA-N 294.851 3.812 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)c1cccnc1)c1ccccc1 123715837 PUKNRTOFEBXVEK-GJZGRUSLSA-N 280.371 3.619 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)[C@H](C)C1 79527327 QRFNIJHYNSCLKT-CHWSQXEVSA-N 288.416 3.563 30 20 CHED C=CCc1cc(CN(CC(C)C)C2CC2)cc(OC)c1O 508012295 JSXQLEXKIVNGDG-UHFFFAOYSA-N 289.419 3.750 30 20 CHED CC[C@H](C)CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 189983283 QEIRBNNFHHWDKR-UONOGXRCSA-N 272.392 3.904 30 20 CHED C=C[C@@H](CC(=O)NCCc1cccs1)c1ccccc1 123488994 AOYJDPKJLNNGOD-AWEZNQCLSA-N 285.412 3.767 30 20 CHED CN(Cc1cccc(C#N)c1)[C@@H]1C[C@H]1c1cccc(F)c1 411128878 DZVVTCFGRSNDFR-ZWKOTPCHSA-N 280.346 3.685 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@H](C)c2cccc(F)c2)n1 76763640 GOHQIOHEMRRFBJ-ZWNOBZJWSA-N 288.347 3.571 30 20 CHED COc1ccccc1CNc1ccccc1O[C@H](C)C#N 181129913 QJMDMEDEXZUGOT-CYBMUJFWSA-N 282.343 3.598 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(F)cc1OCC1CC1 185883175 RXCFLUDTJQNJNV-UHFFFAOYSA-N 289.350 3.603 30 20 CHED C=C(C)CCSCCOc1ccc(OC)cc1 505533968 UDVNNTFNEWHFGD-UHFFFAOYSA-N 252.379 3.773 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(CCC)s1 189155883 DAQXVKWBQWKKKN-ZDUSSCGKSA-N 252.383 3.636 30 20 CHED COc1ccc(OCC2(C#N)CCC2)c(Br)c1 450908486 SDJNVRWJSZEWRZ-UHFFFAOYSA-N 296.164 3.530 30 20 CHED C#CCN(Cc1csc(C)n1)[C@@H]1CCc2ccccc21 76720126 PVLIBMALFMJPBZ-QGZVFWFLSA-N 282.412 3.574 30 20 CHED CC[C@H](C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 41557159 UPIMAFCPKITYAH-UWVGGRQHSA-N 291.301 3.654 30 20 CHED N#C[C@H](C(=O)CCc1ccsc1)c1nc2ccccc2o1 41544440 AXEGCGJJKCMRCV-GFCCVEGCSA-N 296.351 3.698 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCc1ccc(C)cc1 505280311 JBJXLYLGLSNGPZ-HNNXBMFYSA-N 289.444 3.817 30 20 CHED CCc1ccc(CN(C)C(=O)c2cccc(CC#N)c2)cc1 42230724 IASZDIQDCISACG-UHFFFAOYSA-N 292.382 3.587 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CC[C@H](C)c1ccccc1 410829748 SDMBCXFHSFPRSG-HOCLYGCPSA-N 272.392 3.721 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(OC)c(C#N)c1 135204064 SBCYRDCYWURRJA-CYBMUJFWSA-N 292.448 3.530 30 20 CHED C[C@H](NCC(C)(C)c1cccnc1)c1cccc(C#N)c1 414330532 JGHFQGROANHNSZ-AWEZNQCLSA-N 279.387 3.582 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 190985656 ZGWRHXLSCSJBPO-CZUORRHYSA-N 293.794 3.882 30 20 CHED C[C@H](/N=C(/O)[C@H]1CCCc2sccc21)c1ccon1 329197191 WCXHWIRZMUPHQB-ONGXEEELSA-N 276.361 3.874 30 20 CHED CC(C)(C)c1ncc(N=C(O)c2cccnc2C2CC2)cn1 329682704 YTTNTSZDDNORIY-UHFFFAOYSA-N 296.374 3.683 30 20 CHED C=CCOCCCN1CCC(c2ccc(F)cc2C)CC1 428754449 ZSZIVLMJGOHUJV-UHFFFAOYSA-N 291.410 3.906 30 20 CHED Cc1cc(F)cc(C(=O)N[C@](C)(C#N)C2CCCCC2)c1 80303943 NHQYHYCFXVDPBN-QGZVFWFLSA-N 288.366 3.727 30 20 CHED C=CCSCCNC(=O)c1csc2ccccc12 194491431 XDHPBHNMQTVMMI-UHFFFAOYSA-N 277.414 3.550 30 20 CHED Cc1ncc(C(O)=Nc2ccccc2N(C)C2CCCC2)[nH]1 328802185 ZTCBCAPKCPNKMZ-UHFFFAOYSA-N 298.390 3.733 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2ccccc2C#N)C1 179359082 DVTZAEGKPRLCGZ-GFCCVEGCSA-N 256.349 3.713 30 20 CHED Cc1cc([C@H](C)Nc2ccc(C#N)cn2)c(C)s1 42240329 SNNBUYFAMDSIQS-JTQLQIEISA-N 257.362 3.805 30 20 CHED CC1(C)CC[C@@H](/C(O)=N/Cc2noc3c2CCCC3)C1 329295769 KEMOKVNVGAXNIS-LLVKDONJSA-N 276.380 3.836 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCC[C@H]1C#N)CC3 329612772 DRVBOBLNKKEPLJ-JJRVBVJISA-N 293.414 3.616 30 20 CHED CN(Cc1csc2ccccc12)C(=O)C1(C#N)CCC1 134609233 MQIXMWGHMPRSFO-UHFFFAOYSA-N 284.384 3.554 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCc3cccc(C)c3C2)c1 428668692 NRNITGLPXNPXDR-UHFFFAOYSA-N 290.366 3.632 30 20 CHED CC(C)CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1 47052078 FWYMRJWKXFWCDG-CQSZACIVSA-N 299.418 3.839 30 20 CHED Cc1ccc2oc(Oc3ccccc3C#N)nc2c1 513648871 AJEARNNQNAJHMG-UHFFFAOYSA-N 250.257 3.800 30 20 CHED O/C(Cc1ccc2n[nH]cc2c1)=N/C1CCC(F)(F)CC1 330003167 BMQUHMZQIGWNMC-UHFFFAOYSA-N 293.317 3.640 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(F)cc2C#N)C1 331216136 OXJGOJGTZGXIMT-NEPJUHHUSA-N 274.339 3.852 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1c(F)cccc1Cl 81382371 AIMCDDPQIFFQIV-NSHDSACASA-N 299.773 3.639 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(OCCF)c1 424724982 TYUGVCKSYMFSAU-UHFFFAOYSA-N 265.328 3.576 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1c(F)cccc1Cl 81511484 MIJFVFHHNYHEKL-ZJUUUORDSA-N 284.762 3.804 30 20 CHED C[C@H]1C[C@@H](C(=O)N2CCC(CCC#N)CC2)CC(C)(C)C1 335501948 SUHFLMKWQMQUAU-GOEBONIOSA-N 290.451 3.991 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)CC1(c2ccccc2)CC1 424800447 KNWGRLQPXAYPPL-UHFFFAOYSA-N 271.404 3.779 30 20 CHED N#C[C@]1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC12CCCC2 333501624 CQRIWTIEBMUUHR-BORJPKMPSA-N 286.419 3.545 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCCCC1(C#N)CCOCC1 337207099 NVRXQFPBSPDQTR-PMPSAXMXSA-N 278.440 3.501 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(c2cccc(N)c2)CC1 424039789 ZWDNVSOIGZGQKJ-UHFFFAOYSA-N 298.430 3.743 30 20 CHED CCSc1ccc([C@H](C)NC(=O)[C@](C)(C#N)CC)cc1 511176779 YXPPABYWLGLOSK-LRDDRELGSA-N 290.432 3.916 30 20 CHED COc1cc(-c2ccccc2)ccc1CN(CC#N)C1CC1 512789369 YBUHZFMOVMQEQQ-UHFFFAOYSA-N 292.382 3.850 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](CC)CC1CCCCC1 91968206 QXLIEYSHSZVUMH-HUUCEWRRSA-N 264.413 3.791 30 20 CHED CO[C@@H]1CCC[C@@H]1C/N=C(/O)c1cc(C(C)C)oc1C 330606927 OKIIYHXAEGQFEQ-TZMCWYRMSA-N 279.380 3.831 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc(C#N)c2C)s1 337878077 RVNCGVHQIHLNPM-UHFFFAOYSA-N 295.367 3.615 30 20 CHED CC(C)c1cccc(N=C(O)N[C@@H]2CCC[C@H]2C#N)c1 330756313 DNZXGMDYWHPBLD-DZGCQCFKSA-N 271.364 3.637 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1c(C)coc1C 339845493 AVYKMJKFCGADAK-UHFFFAOYSA-N 269.344 3.725 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(F)c(C(F)(F)F)c1 93090722 QPNXJZLTCXQBFR-VIFPVBQESA-N 274.261 3.578 30 20 CHED CC[C@H](/N=C(/O)c1occc1C(C)C)[C@H]1CCCO1 330479058 LQBNAIXCTPGRBI-QWHCGFSZSA-N 265.353 3.665 30 20 CHED COC(=O)CC1(CSc2ccc(C#N)cc2Cl)CC1 234609976 PSYSOPVFVJWOPZ-UHFFFAOYSA-N 295.791 3.647 30 20 CHED CCCN(CC#N)C[C@H](C)c1cccc(Br)c1 92398467 QUDZIIZNZBHGNP-LBPRGKRZSA-N 295.224 3.788 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1ccccc1 432103038 OJRGPKKUFUWQCV-ZDUSSCGKSA-N 260.381 3.649 30 20 CHED C=CCC[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 439079985 PYICUMJPHAMGAI-RTBURBONSA-N 284.447 3.595 30 20 CHED CCCCN1CCCC[C@@H]1CNCC(C)(C)CCC#N 344187600 IBZNSTACLLLEEX-MRXNPFEDSA-N 279.472 3.561 30 20 CHED Cc1nc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1C#N 245840036 YNPKVUQNPBTCBD-IJEWVQPXSA-N 298.386 3.777 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCCc2cc(C#N)ccc21 348218185 QTCXSGBFNWMXQT-QGZVFWFLSA-N 281.403 3.855 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(F)c(C2CC2)c1 439807682 RSHAFJJULWQOGN-UHFFFAOYSA-N 262.328 3.743 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1occc1Br 182630161 PVRALBGPIVXXDP-SECBINFHSA-N 286.169 3.517 30 20 CHED N#Cc1cccc(/C=C\c2nc3c(C(=O)O)cccc3o2)c1 439283460 ZBZZDSXDUNMERZ-FPLPWBNLSA-N 290.278 3.568 30 20 CHED CC[C@H]1c2ccsc2CCN1C[C@@H](C)CCC#N 602445041 MOVMRAPYMNASSI-JSGCOSHPSA-N 262.422 3.997 30 20 CHED CC(C)c1cnc(SCc2ccccc2C#N)[nH]1 600586812 XTHJNSVPOVHHKR-UHFFFAOYSA-N 257.362 3.697 30 20 CHED N#Cc1csc(/C=C2/CCc3c(O)cccc3C2=O)c1 255563457 JWHQIBRYMMKUGZ-XFFZJAGNSA-N 281.336 3.538 30 20 CHED C=C(Br)CN(C)[C@H](C)c1cccs1 52440325 NVPXAKBFAQTGLC-SECBINFHSA-N 260.200 3.650 30 20 CHED C=CCCN(C)C(=O)Nc1cnn([C@H](C)CC)c1C1CC1 341944740 IZLNKUFHNXBDJX-GFCCVEGCSA-N 290.411 3.771 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1=C(C)CCC1 437278573 BATZBODSFAHQNG-UHFFFAOYSA-N 273.351 3.841 30 20 CHED Cc1ccc(-c2cccc([C@H]3CCCN3)c2)c(C#N)c1 600776759 NHKKMEXLYQTDRH-GOSISDBHSA-N 262.356 3.958 30 20 CHED CC(C)(C#N)CCCSCc1noc(C2CCC2)n1 600650408 KLHPGXYLCIJOSB-UHFFFAOYSA-N 279.409 3.900 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H](C)C1CCCC1 602387923 TVEJDTWBIDHTBT-CYBMUJFWSA-N 288.366 3.817 30 20 CHED C=CC[C@@H](C)NC(=O)c1csc(-c2ccccc2C)n1 604880408 LFENYWYGJSEGTH-GFCCVEGCSA-N 286.400 3.813 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1CCC[C@@H](C)C1 602385570 DMCGTZQSLRNUBC-OCCSQVGLSA-N 288.366 3.817 30 20 CHED CCc1nc(C)c([C@@H](C)NCC(C)(C)CCC#N)s1 348211143 DNAOOTBWLFPOAJ-LLVKDONJSA-N 279.453 3.995 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@H]1CC 448788670 UJCHIJFOWCRHHG-ZIAGYGMSSA-N 286.375 3.722 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C\c1cccc(F)c1 255889003 QPJWRXXOZRYZSF-FPLPWBNLSA-N 280.302 3.658 30 20 CHED C=CCOc1cccc(NC(=O)c2conc2C(C)C)c1 528163546 FZJFPRIWOKLCJD-UHFFFAOYSA-N 286.331 3.615 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2ccc(C#N)s2)C1 600227040 XVORDGSZPZXZEQ-UHFFFAOYSA-N 276.405 3.661 30 20 CHED Cc1c(Cl)cncc1NC1CCC(C)(C#N)CC1 449360063 GNKZVJMBFYTCQT-UHFFFAOYSA-N 263.772 3.928 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)cc1OCCC 604905557 HAZHMDVNIUTRJE-CYBMUJFWSA-N 276.380 3.870 30 20 CHED C[C@H]1CCN(Cc2cc(F)ccc2C#N)CC12CCC2 357059813 AXUVYUZGPOHMAC-ZDUSSCGKSA-N 272.367 3.709 30 20 CHED C=CCN(CC=C)C(=O)CSCc1cc(C)cc(C)c1 603774706 ICSYYTQTKCWOGC-UHFFFAOYSA-N 289.444 3.737 30 20 CHED C=CC[C@@H](C)NC(=O)NCCCC1CCCCC1 604894300 BUVODQBILXCYGR-CYBMUJFWSA-N 252.402 3.611 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1COC(C)(C)C 358419245 VVQBIYMHLGYJLA-CYBMUJFWSA-N 275.392 3.696 30 20 CHED CC(C)N(CCCN1CCCCC1)Cc1ccc(C#N)cc1 444580853 DTLSZFUPXYQCRA-UHFFFAOYSA-N 299.462 3.645 30 20 CHED COc1ccc(CN2CC[C@H](C)C3(CCC3)C2)cc1C#N 357006267 BALOMDCJZMVOPG-AWEZNQCLSA-N 284.403 3.579 30 20 CHED CC[C@@H](CC#N)NCc1cc2ccccc2cc1OC 449243850 NWWYCCCVSQSGQH-INIZCTEOSA-N 268.360 3.630 30 20 CHED C=C(CC)CSCC(=O)Nc1ccccc1OCC 358639874 VIMWGFRAHYIWHD-UHFFFAOYSA-N 279.405 3.723 30 20 CHED N#C[C@@]1(F)CCN(C2c3ccccc3-c3ccccc32)C1 615640272 WYUHJCANAFVIOX-SFHVURJKSA-N 278.330 3.694 30 20 CHED C=CCC[C@H](O)CN1CC=C(c2cc(C)cc(C)c2)CC1 538788495 KDMMLQAIPCMAHO-IBGZPJMESA-N 285.431 3.720 30 20 CHED Cc1cccc([C@H](C)Nc2cccnc2C#N)c1C 357531017 IXPQBBDGYPNRPQ-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(COC(C)C)c1 448797742 FWRVUOKXABHMEO-UHFFFAOYSA-N 261.365 3.762 30 20 CHED C#CC1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 700580454 PVRXIOLLRKYBAK-UHFFFAOYSA-N 287.359 3.526 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 443107294 YJYJIVUKZFGIMT-CPUCHLNUSA-N 299.418 3.887 30 20 CHED Cc1cccc([C@H](C)C(=O)N(CCC#N)Cc2ccco2)c1 352104151 TXAZMWPDDFBBCP-HNNXBMFYSA-N 296.370 3.634 30 20 CHED Cc1nccn1CCCCSc1ccc(C#N)cc1 442392044 MUIPKYPXSLFEMG-UHFFFAOYSA-N 271.389 3.636 30 20 CHED CC(C)N(CCCOc1cccc(C#N)c1)Cc1ccco1 357156218 QRTRKYDWNIJCCR-UHFFFAOYSA-N 298.386 3.831 30 20 CHED C=CCCCN(C)C(=O)c1c(Cl)ccc(F)c1C 356175896 ZMFZQCXQACOSEQ-UHFFFAOYSA-N 269.747 3.826 30 20 CHED C=CC(C)(C)CNCc1ccc(OC)cc1OC(F)F 449485451 MUTSZALXVYGNGJ-UHFFFAOYSA-N 285.334 3.598 30 20 CHED C[C@H](NCCCc1cccs1)c1ccc(C#N)cc1 537305456 UFMGQMWETLLDDB-ZDUSSCGKSA-N 270.401 3.903 30 20 CHED Cc1sc(NC(=O)C[C@H](C)c2ccncc2)c(C#N)c1C 610722440 WAVNSQLCVSIYCQ-JTQLQIEISA-N 299.399 3.764 30 20 CHED CCC[C@H](C#N)NC(=O)c1cccc(-c2nc(C)cs2)c1 610062995 OVMHBQFDAAEHKS-CQSZACIVSA-N 299.399 3.541 30 20 CHED C=C(C)CCNC(=O)CCCc1nc2ccccc2s1 452723607 OETSHGNZHGJDEY-UHFFFAOYSA-N 288.416 3.701 30 20 CHED CC(C)[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)[C@@H]1C(C)C 456348859 SDYBSGRKEZPLSZ-DAYGRLMNSA-N 288.435 3.599 30 20 CHED CC(C)c1occc1C(=O)N[C@H](C#N)c1ccccc1F 361841345 DBHOILVJLLOLJU-CQSZACIVSA-N 286.306 3.537 30 20 CHED Cc1nsc(NC[C@@H]2CSc3ccccc32)c1C#N 450562931 NPECYFPOXHVEKU-SNVBAGLBSA-N 287.413 3.625 30 20 CHED CC[C@@H](NC1CC(C)(C)NC(C)(C)C1)c1ccc(C#N)cc1 278330186 WAWNQPWRFJWHHJ-QGZVFWFLSA-N 299.462 3.908 30 20 CHED COc1cc(C#N)ccc1NC(=O)C[C@H]1CCCC[C@@H]1C 547419116 TYFLKEBWTRFJAT-GXTWGEPZSA-N 286.375 3.722 30 20 CHED C=CCSc1ccccc1C(=O)N(C)CCC1CC1 362412671 UHFSLDMLYQAUMU-UHFFFAOYSA-N 275.417 3.837 30 20 CHED CC(C)(C#N)CC(=O)N(CC(F)(F)F)c1ccccc1 278734015 NQSLAOURLDHIPZ-UHFFFAOYSA-N 284.281 3.522 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(Cl)c1C 454155558 KZUNQIJTWPEFKH-KGLIPLIRSA-N 294.782 3.504 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 541777788 MJKKCWHYABWDIK-RISCZKNCSA-N 290.794 3.910 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 541131422 HUTFUUDIROAJIG-ULQDDVLXSA-N 293.451 3.787 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(F)cc1C(F)(F)F 454694719 FYTCHCLRKRFWLP-UHFFFAOYSA-N 290.260 3.932 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 362900528 KJCIUVPLVUELEH-AWEZNQCLSA-N 284.384 3.891 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(C(C)(C)C2CCCCC2)no1 453164047 PVESBFORSZNNNI-BZNIZROVSA-N 273.380 3.729 30 20 CHED CC[C@@H](C)n1ncc(Nc2cccc(C#N)c2[N+](=O)[O-])c1C 450478188 DVFGKWZWKUYISG-SNVBAGLBSA-N 299.334 3.686 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)c1ccc(CC#N)cc1 270214751 KMBQZJNCVNHLJT-OAHLLOKOSA-N 292.382 3.504 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)NCc2ccc(C#N)c(F)c2)C1 456846004 ULSMUQAALKKFDZ-QWHCGFSZSA-N 288.366 3.530 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(C)CC1 549699946 XVHRZJCCNPMALL-UHFFFAOYSA-N 296.418 3.758 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)s1 271170537 QFGIPOQLTGHJAD-CYBMUJFWSA-N 286.375 3.748 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cccc(C(F)F)c1 468269818 IBFDSEVBRSGVLV-UHFFFAOYSA-N 267.319 3.591 30 20 CHED C=CCOCCNC1(c2c(Cl)cccc2Cl)CC1 549536636 UPUPVGDCQKPGJL-UHFFFAOYSA-N 286.202 3.775 30 20 CHED C=C(C)CNC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 547982307 WLFQIBQYXNRASE-AWEZNQCLSA-N 296.370 3.528 30 20 CHED C=CCCN(C)Cc1nc(-c2ccc(C(C)C)cc2)no1 467301633 PEWIBNHXZQUAOS-UHFFFAOYSA-N 285.391 3.868 30 20 CHED N#CCN1CCC[C@H](Cc2csc3ccccc23)C1 466926471 KZBFBJZESAWDFY-CYBMUJFWSA-N 270.401 3.679 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1cc(C(C)C)oc1C 286082106 SZVXBEPNMWPGIZ-UHFFFAOYSA-N 298.342 3.844 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2oc(C)c(C)c2c1 286006008 HTYKDGMGMWSSHN-MRXNPFEDSA-N 270.332 3.928 30 20 CHED CCCCn1ncc(Nc2cccc(C#N)n2)c1C(C)C 555140123 WRBUVIGECKYSRR-UHFFFAOYSA-N 283.379 3.817 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccc(SC)cc1 281039220 IUGUCRHQPLYRAE-ZDUSSCGKSA-N 275.417 3.779 30 20 CHED CC(C)(C)CCCCC(=O)NC1(C#N)CCCCC1 552895053 BUKKZOVPFUGPKC-UHFFFAOYSA-N 264.413 3.936 30 20 CHED C=C(CC)CSc1ncccc1Br 379383126 FYNQNQTWJCGZPR-UHFFFAOYSA-N 258.184 3.902 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1 288457604 VUEJBHFWDMSWOD-QZTJIDSGSA-N 296.414 3.583 30 20 CHED C=C(C)Cn1c(-c2sccc2C)n[nH]c1=NC(C)(C)C 463111721 XJFPOXMJAJYSQO-UHFFFAOYSA-N 290.436 3.523 30 20 CHED C=CCC(CC=C)C(=O)NCc1c(C)cc(C)cc1C 467327442 ISPBEIMTPFDHSF-UHFFFAOYSA-N 271.404 3.996 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC2(CCCC2)CC1 466378582 OVMJOFLAFQEVEQ-CQSZACIVSA-N 264.413 3.707 30 20 CHED CCN(Cc1cccc(F)c1)c1ccc(F)cc1C#N 462916402 ZBNSUUYNAIJBGN-UHFFFAOYSA-N 272.298 3.863 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC[C@H]2CCCO2)cc1 466400232 BHLLKWCNCHEUDN-FUHWJXTLSA-N 289.419 3.689 30 20 CHED C[C@H](NCCCCC1CCOCC1)c1ccc(C#N)cc1 385002350 PVWDPOCNWGPLBX-HNNXBMFYSA-N 286.419 3.806 30 20 CHED C=C(C)CCc1noc([C@H]2CCC(=O)c3ccccc32)n1 289077304 JJVVLGJPJQXEPP-AWEZNQCLSA-N 282.343 3.687 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 550908383 FJOGDQALQNQBIU-KGLIPLIRSA-N 281.440 3.546 30 20 CHED N#Cc1cc(N2CCC[C@H](c3ccccc3)CC2)ccn1 550787282 OPNWXRUPKQECHF-INIZCTEOSA-N 277.371 3.727 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2cc(C)ccc2F)no1 289206955 YWOHORWDQBGDRV-INIZCTEOSA-N 290.338 3.664 30 20 CHED Cc1cc(N2CCC[C@H](CC(C)C)C2)cc(C#N)n1 553147700 NFTWHOFAUMSEKP-CQSZACIVSA-N 257.381 3.524 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc2cc(O)ccc12 632780682 NGNZQOBJSGPYDU-CQSZACIVSA-N 281.355 3.726 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC1(OC)CCC1 479092416 UALOWNPOWBWDDM-UHFFFAOYSA-N 279.424 3.541 30 20 CHED CCCC[C@H](SCc1cccc(C#N)c1)C(=O)OC 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Cc1ccc(C)c([C@@H](C)Nc2ccc(C(=O)NO)cc2C)c1 671994856 FXAMMCIFAHLAGJ-CQSZACIVSA-N 298.386 3.904 30 20 CHED Cc1ccc2c(Cl)c(C(=O)N(C)[C@H](C)C#N)sc2c1 590993886 WUKXOMYQWXSQOW-SECBINFHSA-N 292.791 3.847 30 20 CHED CC#CCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 676755973 YJTZYNQFDINMHG-AWEZNQCLSA-N 266.344 3.548 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H](C3CCCCC3)C2)cc1 598471861 NCNUNDHQIIACSY-SFHVURJKSA-N 296.414 3.991 30 20 CHED C#CCCCNC(=O)C1(c2ccccc2C)CCCCC1 742787957 CSFBNKTZOXMUJY-UHFFFAOYSA-N 283.415 3.727 30 20 CHED CO[C@@H](C=NNc1cc(C)ccc1F)CC(C)C 841629296 LTPKQWCCYFSHCM-GFCCVEGCSA-N 252.333 3.593 30 20 CHED Cc1cc(C)c(NN=Cc2c[nH]c3ncccc23)c(C)c1 743445375 RNQPNUGQGDQIPO-UHFFFAOYSA-N 278.359 3.934 30 20 CHED Oc1ccc(/C=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(O)c1O 745991277 UTVFZOHDYZIJQY-LHHCMAOCSA-N 289.375 3.581 30 20 CHED CN(C)Cc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 596785168 SDPLWKDSJPTSJA-UHFFFAOYSA-N 299.418 3.551 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCCC1(C#N)CCCCC1 840477211 PHXUYKJKFFSGKA-MRXNPFEDSA-N 293.407 3.623 30 20 CHED C=CCN(C(=O)CSc1ccccc1Cl)C(C)C 914683521 QVNPMGGDASOMDR-UHFFFAOYSA-N 283.824 3.855 30 20 CHED CC(=NOCc1cccnc1)c1ccc(Cl)cc1 746587977 VJXINMUOOKDABM-UHFFFAOYSA-N 260.724 3.676 30 20 CHED CCCN(C(=O)[C@@H]1CC1(F)F)c1cc(Cl)ccc1C#N 598808050 CMVMTTCDAJENGN-NSHDSACASA-N 298.720 3.610 30 20 CHED N#CCC1CCN(C(=O)CCC2CCCCCC2)CC1 594340874 GRUAHAVIGHYZSI-UHFFFAOYSA-N 276.424 3.889 30 20 CHED Cc1ccc(C(C)(C)CN[C@@H](C)c2ccc(C#N)cc2)nc1 599072053 XBSBIZOBZIEMIF-HNNXBMFYSA-N 293.414 3.890 30 20 CHED Clc1ccc(C=NOCCC2CCOCC2)cc1 842018283 TVEUXMJFFPBHHP-UHFFFAOYSA-N 267.756 3.507 30 20 CHED C=CCN(CCc1ccccc1)Cc1nc2c(s1)CCC2 678819666 SVCKVCYRCWKPRK-UHFFFAOYSA-N 298.455 3.863 30 20 CHED C#CCN(CC)C(=O)N[C@H](c1ccccc1)C(CC)CC 919906025 RCHQKAVVKOINAT-KRWDZBQOSA-N 286.419 3.829 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc(C(C)C)nc2ccccc12 594097433 KUSIRGFGJMXEQB-CYBMUJFWSA-N 295.386 3.732 30 20 CHED CN(C(=O)/C=C\Sc1ccccc1)c1ccc(C#N)cc1 749150942 PKYIUFKAIKNEKW-QXMHVHEDSA-N 294.379 3.827 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1NCC1(CC#N)CC1 594706585 APJQFCMSOXDEBC-UHFFFAOYSA-N 280.375 3.595 30 20 CHED COc1cc(CN[C@@H]2CC[C@@H]2c2ccccc2)ccc1C#N 594995873 UNRULFXEOCINOW-QZTJIDSGSA-N 292.382 3.603 30 20 CHED CC(C)(C)c1ccc(C=NOCc2nnc(C3CC3)o2)cc1 742348526 IPOOGWSNOLTXJQ-UHFFFAOYSA-N 299.374 3.795 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1 742434495 IAPUOCOPCIFXFM-TWGQIWQCSA-N 294.350 3.759 30 20 CHED Cc1c(Cl)cc(NC(=O)c2c[nH]c(C#N)c2)cc1Cl 590549372 FLLPPGKYGQGCFN-UHFFFAOYSA-N 294.141 3.754 30 20 CHED C=CCCCC(=O)OCc1ncc(-c2ccccc2F)o1 748239826 KIFDZRZLVODFKO-UHFFFAOYSA-N 289.306 3.880 30 20 CHED CO[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 842316654 VKLTYRWHIUBQLZ-AAEUAGOBSA-N 294.420 3.504 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccccc1SC(F)F 844492569 HUUPZHYMKIRINB-MRVPVSSYSA-N 288.319 3.629 30 20 CHED N#CCc1ccc(COc2cccc3c2OCCC3)cc1 592360967 CGIUBYICTBZXRR-UHFFFAOYSA-N 279.339 3.657 30 20 CHED Cc1cccc([C@H](C)C/N=C\c2cccc(O)c2O)c1 741164860 BQVVKKVNOQZACA-NCUBORBFSA-N 269.344 3.629 30 20 CHED CCOc1ccc(O)c(/C=N/CC(C)(C)c2ccccn2)c1 840706830 KWVUUAUAIGGLLY-XDHOZWIPSA-N 298.386 3.583 30 20 CHED Cc1ncsc1/C=C1/CCc2sccc2C1=O 742434196 FQBQPRARBJLWIK-TWGQIWQCSA-N 261.371 3.726 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)c1cc(F)cc(F)c1 843268332 HUQLTQLGNFBRAY-ONEGZZNKSA-N 290.313 3.713 30 20 CHED C[C@@H]1OCCC1=NNc1cccc(Cl)c1Cl 841645756 RTVNHWXMSKCBKQ-ZETCQYMHSA-N 259.136 3.570 30 20 CHED C=CCC[C@H](C)N[C@@H](C(=O)O)c1ccc2ccccc2c1 859810705 UXQHVCKQPRFQLY-SUMWQHHRSA-N 283.371 3.910 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1ccc(SC(F)F)cc1 854703077 IXNHOBGCTQROHT-AWEZNQCLSA-N 283.343 3.533 30 20 CHED C=CCC1(NC(=O)/C=C(/C)c2ccco2)CCCC1 855928741 XEAJMKACZYAQJS-SEYXRHQNSA-N 259.349 3.688 30 20 CHED CC(C)c1cccc(C(=O)OCC2(C#N)CCC2)c1 850281588 KOYMPUXMFAGSIY-UHFFFAOYSA-N 257.333 3.661 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H]1CSC 754862027 JEFIUCXGTKKCBQ-AWEZNQCLSA-N 286.485 3.884 30 20 CHED CC(CCc1ccco1)=NNc1ccc(C(F)(F)F)nn1 754709716 NRZMLKLPRBYBEB-UHFFFAOYSA-N 298.268 3.509 30 20 CHED C#CCCCC(=O)N1C[C@H](CC)Oc2c(Cl)cccc21 759105235 NCKBBSJBPCGUAU-LBPRGKRZSA-N 291.778 3.648 30 20 CHED Fc1cc(F)c(NN=C[C@H]2CC2(Cl)Cl)cc1F 853307998 VPUDCOTZQAJBIT-RXMQYKEDSA-N 283.080 3.695 30 20 CHED COCCC(=NNc1ccc([N+](=O)[O-])cc1Cl)C(C)C 756826629 JZLKNDTUKZXJIB-UHFFFAOYSA-N 299.758 3.709 30 20 CHED N#Cc1cc(N2CCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] 157620121 OQGIOFXRGFNCAM-INIZCTEOSA-N 293.326 3.808 30 20 CHED Fc1cccc2c1SCCC2=NO[C@@H]1CCCCO1 755820392 CQIBGGKKMDADLE-CYBMUJFWSA-N 281.352 3.569 30 20 CHED CCc1oc2ccccc2c1C=NO[C@H]1CCCCO1 755816479 GLEGVYARTWWNSI-INIZCTEOSA-N 273.332 3.872 30 20 CHED CC[C@@H](C#N)OC(=O)CCC(=O)c1ccc2ccccc2c1 753422831 VPUACYKDAADBEB-INIZCTEOSA-N 295.338 3.648 30 20 CHED Cn1nc(/C=C/C(=O)C2CCCCC2)c2ccccc21 853002911 YMCMUYDMCHNOBF-VAWYXSNFSA-N 268.360 3.736 30 20 CHED CC(C)Oc1ccc(CCN[C@@H](C)CC(C)(C)C#N)cc1 924612833 MECMUUKUENMTHZ-HNNXBMFYSA-N 288.435 3.934 30 20 CHED CC(C)C#CC(=O)Nc1ccc(N2CCCCCC2)cc1 854268080 LEMRBYLIKMGPLH-UHFFFAOYSA-N 284.403 3.665 30 20 CHED CSc1ccccc1CC(C)=NOCC(F)F 758904118 MTAHUDBQDSUXOT-UHFFFAOYSA-N 259.321 3.609 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@H]1CCO[C@H](CC)C1 851141454 AQWSUARNAIWVNI-QXSJWSMHSA-N 280.408 3.870 30 20 CHED Clc1ccc(NN=Cc2nc3c(s2)CCCC3)nc1 853435155 MMRVDMBXKFIXHF-UHFFFAOYSA-N 292.795 3.516 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnc3cccc(C)n23)o1 752237393 FWDBYNVIKHOOBL-VQHVLOKHSA-N 280.327 3.694 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)C1 851210931 ZVYJWUBOMFMAAJ-JHJVBQTASA-N 251.370 3.684 30 20 CHED C[C@@H]1CCC(=NO[C@H]2CCCCO2)c2ccccc21 755813080 CAUNYRVFPXGICF-WBMJQRKESA-N 259.349 3.831 30 20 CHED N#CC1(CCCCN2CC[C@@H](c3ccncc3)C2)CCC1 930516094 ISBOMJMYUAKVPW-QGZVFWFLSA-N 283.419 3.735 30 20 CHED C=C(C)CNC(=S)N(C)CCc1cccc2ccccc12 751019237 DXHMKDWZJGXERP-UHFFFAOYSA-N 298.455 3.765 30 20 CHED C=CC[C@H]1N(C[C@H](O)c2ccc(C#N)cc2)CCCC1(C)C 769954017 QMTAMEXMELBIFU-ZWKOTPCHSA-N 298.430 3.658 30 20 CHED Cc1ccc2c(CC(=O)OCC(C)(C)CC#N)coc2c1 764834183 LLHDYSQBKAXLQA-UHFFFAOYSA-N 285.343 3.767 30 20 CHED CC#CCCCC(=O)OCc1cccc(C(F)(F)F)c1 767668888 VQPPAVPHSWOINT-UHFFFAOYSA-N 284.277 3.942 30 20 CHED CCN(Cc1ccccc1N1CCCCC1)C[C@@H](C)C#N 768880137 CTNYSVXHSICBQH-INIZCTEOSA-N 285.435 3.658 30 20 CHED COc1cc(C#N)ccc1CN1Cc2ccccc2[C@H](C)C1 766896306 ZKOBDSLJRVLRLG-CQSZACIVSA-N 292.382 3.686 30 20 CHED Fc1cccc(NN=Cc2cnc(C3CCC3)s2)c1 760252440 ALVHGTMKIZTCLH-UHFFFAOYSA-N 275.352 3.996 30 20 CHED C(=NNCCCc1ccccc1)c1cnc(C2CC2)s1 761809573 NPJYBEYSPNEZIC-UHFFFAOYSA-N 285.416 3.577 30 20 CHED C#CC[C@@H](NC(=O)c1c(F)ccc(C)c1F)c1ccccc1 766546292 QSLIQACJSIXCPV-OAHLLOKOSA-N 299.320 3.768 30 20 CHED C#CCCCN1CCC[C@H]1c1ccc(OCC)cc1 766896426 OGWSTDFSPOKSAB-KRWDZBQOSA-N 257.377 3.636 30 20 CHED C#CCCCOc1cccc(CNC(=O)OC(C)(C)C)c1 766740988 ABLBYKVHMVFZTN-UHFFFAOYSA-N 289.375 3.504 30 20 CHED N#CC1(CC(=O)OCCCc2ccco2)CCCCC1 861020437 ZOFNOZRVJIFYPD-UHFFFAOYSA-N 275.348 3.620 30 20 CHED Cc1ccnc(NN=Cc2ccc(C(F)(F)F)s2)c1 761809853 IVSIQRIRDQBPOX-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CCOc1cccc(C=NNc2ccccc2Cl)n1 763107920 ZIZORPIYKWGRDH-UHFFFAOYSA-N 275.739 3.580 30 20 CHED Cc1ccc(NN=C2CCCc3scnc32)cc1 863064774 QZESWFSRQNCPSI-UHFFFAOYSA-N 257.362 3.604 30 20 CHED C=CCOc1cccnc1-c1nc([C@H](C)CCC)no1 761850542 SMFCAOTUCXVZQH-LLVKDONJSA-N 273.336 3.600 30 20 CHED Cc1cncc(C(=O)/C=C/c2nccc3ccccc23)c1 767368044 YEEFPCVVIKNCHQ-VOTSOKGWSA-N 274.323 3.834 30 20 CHED CCCC[C@H](/N=C\c1c(O)ccc2ccccc12)C(=O)OC 761016219 VZWXOTCTDRENKK-JJBLJPBOSA-N 299.370 3.696 30 20 CHED CCCN1CCCC[C@H]1C(=O)OCCCCC(C)(C)C#N 1116790206 FUYDXCLHPWETPI-HNNXBMFYSA-N 294.439 3.514 30 20 CHED CCC(CC)NN=Cc1c(Cl)cccc1N(C)C 1116409686 ASMZERKZYRZUJQ-UHFFFAOYSA-N 267.804 3.518 30 20 CHED CC(=NOC1CCCC1)c1ccc(N2CCCC2)cc1O 774607984 JXSNZKRINJJRMY-UHFFFAOYSA-N 288.391 3.676 30 20 CHED Cc1cc(F)cc(C(=O)OCc2cccc(C#N)c2F)c1 774957006 DWBITVATVDUQQO-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1c(F)cccc1Cl 1118090657 NKBGQJFNSKLWDN-UHFFFAOYSA-N 283.774 3.740 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@@H](C)[C@@H](O)C1 775556923 WGDHPLCAAUNSNI-XHSDSOJGSA-N 283.456 3.602 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)c1 776729970 YCCOOMGQSNLXLL-VMPITWQZSA-N 281.286 3.602 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NOC[C@H]1CCOC1 872367665 CPDNDJNKDXEMMB-AWEZNQCLSA-N 286.375 3.530 30 20 CHED C#CCOc1ccc(CNc2cc(F)cc(F)c2)cc1 770512313 NWDUTSKXDUMIPO-UHFFFAOYSA-N 273.282 3.589 30 20 CHED C#CCCCCCC(=O)N1CCCc2ccc(C)cc21 779932200 YGUIBZOWUFKONU-UHFFFAOYSA-N 269.388 3.858 30 20 CHED Cn1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)n1 773148869 FFNKBUDBSPMSJA-NSCUHMNNSA-N 287.171 3.685 30 20 CHED CCCCC[C@H](CC)C(=O)N(CCC#N)CC1CC1 775712185 FEXAJHJGADZYKA-HNNXBMFYSA-N 264.413 3.745 30 20 CHED O=C(/C=C/c1ccccc1F)OCC#Cc1ccc(F)cc1 771318678 LVASRADYKFMVPP-FMIVXFBMSA-N 298.288 3.573 30 20 CHED CC(=NNC[C@H](C)C#N)c1ccc(SC(C)C)cc1 771114034 ZMDWGNRSWWWWEC-GFCCVEGCSA-N 275.421 3.660 30 20 CHED COc1ccccc1/C(C)=C\C(=O)OCCC(C)(C)C#N 776383480 NABOUMOOVZCYJC-QBFSEMIESA-N 287.359 3.582 30 20 CHED C#CCCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 775293304 QRTRYRUMRJCZMK-GOSISDBHSA-N 285.337 3.862 30 20 CHED N#CCC1(CNC(=O)c2ccc(-c3ccccc3)s2)CC1 1116899386 OBVLYFWFKKCEPR-UHFFFAOYSA-N 296.395 3.839 30 20 CHED C=C(CC)COC(=O)[C@@H](SC)c1ccccc1 773516193 WHVKATNCEZCXQD-ZDUSSCGKSA-N 250.363 3.600 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)Cc1ccccc1CC#N 777036464 HWTCDKQRGWQKQO-SFHVURJKSA-N 298.430 3.722 30 20 CHED CCC(=NNc1cc(Cl)ccn1)c1ccc(O)c(F)c1 777907504 WUDCTCXONQAFOJ-UHFFFAOYSA-N 293.729 3.806 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C/c1ccccc1 778984174 AASYTUZSFCDNBL-ZHACJKMWSA-N 281.355 3.550 30 20 CHED Cc1ccc(CCC(=O)OCCC(C)(C)C#N)c(C)c1 776370632 JNISBLYCQFIYMR-UHFFFAOYSA-N 273.376 3.719 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(N(C)C)c(F)c1 776189333 FGNWUFMBKAICBI-SOFGYWHQSA-N 298.361 3.745 30 20 CHED C#CCCCCCC(=O)Oc1ccc(Br)cc1 779707003 QHQGMYGZOMWZGB-UHFFFAOYSA-N 295.176 3.938 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1ccc(OC)c(F)c1 776204523 VBHFJGSFKIMCPA-LLVKDONJSA-N 296.411 3.866 30 20 CHED C[C@@H]1CCC[C@@H](CCON=C2CCCOCC2)C1 778600689 LWUDADCMMAUHCB-KGLIPLIRSA-N 253.386 3.776 30 20 CHED C[C@H](C(=O)OCCC(C)(C)C#N)c1cn(C)c2ccccc12 772855672 WEQRCDXUYUGEIT-ZDUSSCGKSA-N 298.386 3.765 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)OCc2ccccc2C#N)cc1 778877819 VEYCYRVTHWKBCA-OAHLLOKOSA-N 293.366 3.789 30 20 CHED CC(C)c1cnc(NC(=O)Cc2ccccc2CC#N)s1 776960171 KUEDUKQJKZHLDK-UHFFFAOYSA-N 299.399 3.514 30 20 CHED Clc1cscc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774593444 NTJKHIXNKKCAPC-AUTRQRHGSA-N 254.786 3.514 30 20 CHED CCCCCC[C@H]1CCCC1=NN[C@@H](C)COC 777902280 QAZNTJBBRJVRGK-KBPBESRZSA-N 254.418 3.737 30 20 CHED C=C1CCC(C(=O)Nc2cc(C)nn2C(C)(C)C)CC1 888222517 LDDNQQAIAJXOKO-UHFFFAOYSA-N 275.396 3.631 30 20 CHED CO[C@H](C(C)=NNc1cccc(C(=O)O)c1)c1ccccc1 782112467 ZRFVVGAYWRSAHE-MRXNPFEDSA-N 298.342 3.560 30 20 CHED C#CCC(C)(C)C(=O)NCC[C@@H](C)CC(C)(C)C 785614747 YFPOVGKPLXJKAX-CYBMUJFWSA-N 251.414 3.615 30 20 CHED C[C@H]1CCC[C@H](CCOC(=O)CC(C)(C)C#N)C1 785108576 RVPIIMGZWXRKGC-QWHCGFSZSA-N 251.370 3.686 30 20 CHED C=CCC[C@@H](C)OC(=O)c1cc(C(F)(F)F)ccn1 884647764 MESZFMZRIPLYOT-SECBINFHSA-N 273.254 3.612 30 20 CHED C=CCCCCCN[C@@H](C)C1CCN(C(=O)OCC)CC1 785808195 JOTPZDGDQMCBDD-HNNXBMFYSA-N 296.455 3.579 30 20 CHED Fc1cccc(C2CC(=NN[C@H]3C[C@H]4CC[C@H]3C4)C2)c1 781594857 JJVJCJLXVFNQJW-XMVCEKOHSA-N 272.367 3.837 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)nc1 787029978 ZKXHKMDKDGLVNO-ZBEGNZNMSA-N 297.789 3.945 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)n1C 785857833 XZIHWZYOLHAREO-VIFPVBQESA-N 287.190 3.513 30 20 CHED CC[C@H]1CCC[C@H](CNCc2ccc(OCC#N)cc2)C1 784534251 KLQBOHAQRNRULA-RDJZCZTQSA-N 286.419 3.895 30 20 CHED C=CCCN(Cc1ccnc(OC)c1)OCc1ccccc1 782664681 MCOIPIUMWKJEGE-UHFFFAOYSA-N 298.386 3.600 30 20 CHED CCC[C@@H]1C[C@H](C(=O)O[C@@H](C#N)C2CCCCC2)CCO1 780165231 RIDPQMQASBYKGY-OAGGEKHMSA-N 293.407 3.597 30 20 CHED CCC(CC)NN=C/C(C)=C/c1cccc([N+](=O)[O-])c1 787158018 PNSQTTPATRKTNH-VAKNNNDASA-N 275.352 3.762 30 20 CHED CCS[C@@H](C(=O)OCc1ccc(C#N)c(C)c1)C(C)C 785821881 VSUYUDGHJZICKS-OAHLLOKOSA-N 291.416 3.688 30 20 CHED C=C1CC(c2noc(-c3nc(C(C)C)oc3C)n2)C1 896876338 DNTJFZADHCTJDE-UHFFFAOYSA-N 259.309 3.590 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccc(-c2ccccc2)c(C)c1 792836060 MHVAUYIEDKPJJY-LJQANCHMSA-N 295.382 3.928 30 20 CHED C=CC[C@H](CC)NC(=O)N(CCc1ccccc1)C1CC1 798495550 DVRIYSQEMOVYAL-INIZCTEOSA-N 286.419 3.758 30 20 CHED N#C[C@H]1CCC[C@@H](NCCC2CCC(F)(F)CC2)C1 898031906 QVVQNEYSZYUXCT-UONOGXRCSA-N 270.367 3.874 30 20 CHED C=CCC(C)(C)C(=O)OCCCOc1ccccc1 796464179 ZWJDLAIPPBUVES-UHFFFAOYSA-N 262.349 3.601 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1cc(C)on1 791432717 PBVITGVAABMPJS-ZLNDROGTSA-N 253.301 3.825 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(C)cc1)C2 794960989 KHAVQTUMIXIFCI-OVCLIPMQSA-N 294.350 3.835 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCCC2)c1cncs1 792882336 FFDKPKHKDSZXMR-VURMDHGXSA-N 269.369 3.918 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C3CC3)cc2)cc1C#N 799360130 HYGRWFRQBCHGOQ-UHFFFAOYSA-N 276.339 3.996 30 20 CHED CCc1occc1C(=O)O[C@H](C)c1ccc(C#N)cc1 797461635 AVNKNXXSQMFJTL-LLVKDONJSA-N 269.300 3.632 30 20 CHED C=CCC(=NNCCC(F)(F)F)c1ccc(F)cc1 794551923 VNJWFYQMHNKMPO-UHFFFAOYSA-N 274.261 3.648 30 20 CHED CC1(C)CCCN(C(=O)[C@H](F)CC2CCCCC2)[C@@H]1C#N 793967900 GVAOEVKHNBXJKU-HUUCEWRRSA-N 294.414 3.836 30 20 CHED CSCCON=C(C)c1cc(Cl)c(N)c(Cl)c1 794574189 YSLRTDFNVWVUMX-UHFFFAOYSA-N 293.219 3.679 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1c1ccc(C)cc1 791069124 HPVJLAOYNLUOQW-SJORKVTESA-N 284.403 3.643 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1C#N 799550573 GNILTWJKXCNQFQ-CYBMUJFWSA-N 290.322 3.656 30 20 CHED CC(=NNc1nccn1C)c1cc(Cl)sc1Cl 790302289 OOTIXDHEDYOSOS-UHFFFAOYSA-N 289.191 3.625 30 20 CHED CC(C)(CCC#N)CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 793615307 OLGVALJZRQZCKS-YPMHNXCESA-N 289.250 3.832 30 20 CHED CCCCCCCOc1c(Cl)cncc1[N+](=O)[O-] 795246180 UEVCBZKXEHXXMU-UHFFFAOYSA-N 272.732 3.992 30 20 CHED C=C(CN[C@@H](C)c1c(C)noc1C)c1ccccc1 134368698 FAYIEFNMRGBQJQ-LBPRGKRZSA-N 256.349 3.655 30 20 CHED N#CCc1ccc(NC(=O)c2ccsc2Cl)cc1 1523229603 TXWGRWTZKOWLGH-UHFFFAOYSA-N 276.748 3.720 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1CC1(CC#N)CC1 1307854794 KBVHQRSGELGJBD-INIZCTEOSA-N 268.404 3.948 30 20 CHED Cc1cc(C)c(C#N)c(SCCc2ccc(C#N)cc2)n1 1164514838 DWQAFZXAVYTVPV-UHFFFAOYSA-N 293.395 3.777 30 20 CHED Cc1ccc(CSCc2cccc(C#N)c2)nc1 1319857912 CALCIFFWBOLIOS-UHFFFAOYSA-N 254.358 3.695 30 20 CHED C[C@H](C(=O)Nc1sccc1C#N)c1ccc(F)cc1F 1323152589 PYAPLBIYFVNZJF-QMMMGPOBSA-N 292.310 3.640 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)Nc1cccc(CC#N)n1 1320656001 NVVBXUOAMLYPCY-ZIAGYGMSSA-N 265.360 3.752 30 20 CHED CC[C@H](CNc1cc(C)cc(C#N)c1)CC(F)F 594704765 MGHPPTMVSQKSKT-NSHDSACASA-N 252.308 3.960 30 20 CHED Cc1cc([C@H](C)NCCCOc2ccc(C#N)cc2)c(C)o1 1320394899 UODNXBBVHJGDNO-AWEZNQCLSA-N 298.386 3.888 30 20 CHED CCCCCCCCN1CCN(C)C[C@@H]1C(C)C 746462855 PXLDVAVJTONAOW-MRXNPFEDSA-N 254.462 3.619 30 20 CHED N#Cc1ccc(N2CCC(OCc3ccccc3)CC2)cc1 193462856 MNTJSWZBOMHVTN-UHFFFAOYSA-N 292.382 3.744 30 20 CHED CC#CCCN1C[C@H]2CCCC[C@]21c1ccccc1 1320251854 WQGFXHQIJJOJOS-MSOLQXFVSA-N 253.389 3.801 30 20 CHED CC(C)(C)C1CCN(c2cccc(F)c2C#N)CC1 83662346 SEJIEWOMEJNNET-UHFFFAOYSA-N 260.356 3.960 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)N(C)[C@H](C)CC#N)c1C 1337809515 UHZJLKDFLVPKLX-GFCCVEGCSA-N 296.370 3.938 30 20 CHED CC(C)n1ncc2c1[C@@H](N[C@@H](C)CC(C)(C)C#N)CCC2 1332880206 FMXAQLIEEPOADY-ZFWWWQNUSA-N 288.439 3.759 30 20 CHED Cc1c(C#N)cccc1C(=O)OCCCCC(C)(C)C#N 1256653624 SHVRPTUCOJSSOJ-UHFFFAOYSA-N 284.359 3.744 30 20 CHED N#Cc1cc(=N[C@H](c2ccccc2F)C2CCCC2)cc[nH]1 1185701256 FXTQYGGCWUCFJG-SFHVURJKSA-N 295.361 3.858 30 20 CHED C=C(C)CCC(=O)NCCCO[C@@H](C)c1ccccc1 1335505010 PBWODICFTXLJLP-HNNXBMFYSA-N 275.392 3.627 30 20 CHED COc1cc(Cl)ccc1NC(=O)C1(C#N)CCCCC1 776407942 ISDYJHXEUNOZBR-UHFFFAOYSA-N 292.766 3.761 30 20 CHED C#Cc1ccc(N[C@@H](C)c2cc(OC)c(OC)cc2C)nc1 1337805766 GSWLKIUAPPYAHN-ZDUSSCGKSA-N 296.370 3.562 30 20 CHED CC[C@@H](CNc1nccc(C)c1C#N)Oc1ccccc1C 1185536545 ZUQMDWBNZFKREH-HNNXBMFYSA-N 295.386 3.840 30 20 CHED C#CCN(Cc1cccc(-c2ccccn2)c1)CC1CC1 1337065951 VSEGOLCFAABFCT-UHFFFAOYSA-N 276.383 3.594 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2oc(C)nc2c1 1339151142 AHKQSJVSNIHQDG-AWEZNQCLSA-N 284.359 3.707 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1ccc(OCC#N)cc1 1343504377 VBBLYWZIWVIBAJ-ZDUSSCGKSA-N 289.379 3.631 30 20 CHED C[C@H](Cn1ccc2ccccc21)C(=O)O[C@@H]1CC[C@@H](C#N)C1 1342690789 DNCHBIVYLPNWJM-IIAWOOMASA-N 296.370 3.513 30 20 CHED C[C@H](OC(=O)c1ccc(Cn2cccc2)cc1)C(C)(C)C#N 1343330668 IWWDKAFIBCMWNP-AWEZNQCLSA-N 296.370 3.631 30 20 CHED C=C(C)CCC(=O)Nc1cc(Cl)c(OC)cc1OC 1354042506 ZXAFHQWPCNZSBQ-UHFFFAOYSA-N 283.755 3.652 30 20 CHED CCOc1ccccc1NC(=O)[C@H](CC#N)c1ccccc1 1350121736 VRVHHRINZQDXOA-OAHLLOKOSA-N 294.354 3.721 30 20 CHED CC(C)(C(=O)OCC1(CC#N)CC1)C1CCCCC1 1350065627 WPPIZJIEHHCBBU-UHFFFAOYSA-N 263.381 3.830 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C)cc(C#N)c1 1528385888 CTVBMNGOZUXDTB-ZFWWWQNUSA-N 256.349 3.632 30 20 CHED N#C[C@H](C(=O)C1CCCCCCC1)c1cccc(F)n1 1524706357 ZSBUANCDZKTNJR-ZDUSSCGKSA-N 274.339 3.757 30 20 CHED C#Cc1cccc(NC(=O)c2snc(Cl)c2Cl)c1 816838410 AMQRHHUXAAYDBC-UHFFFAOYSA-N 297.166 3.684 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)ccn1)c1ccc(C)cc1 1528059161 SBDQSKJVGRWKAV-MRXNPFEDSA-N 280.327 3.570 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cc3occc3s2)c1 1460785002 CKOOSTPGTFEAJM-UHFFFAOYSA-N 286.287 3.757 30 20 CHED C[C@H](C(=O)Nc1cc(F)cc(C#N)c1)c1cccs1 1531984839 KIGRBADLYDVLRJ-VIFPVBQESA-N 274.320 3.501 30 20 CHED CC(C)c1ncsc1NC(=O)c1ccc(F)c(C#N)c1 1533122790 LGXYDMNNSMHWKD-UHFFFAOYSA-N 289.335 3.530 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1c(C)sc(C)c1C(=O)O 1602837058 DGOSDQGVCIUVJK-SNVBAGLBSA-N 296.392 3.539 30 20 CHED C[C@H]1C[C@@H](CCNC(=O)c2cc(C#N)ccn2)CC(C)(C)C1 1538743018 BYOMHBLLSGXIDZ-UONOGXRCSA-N 299.418 3.536 30 20 CHED C[C@@H]1CN(CC2(CC#N)CC2)CC[C@H]1c1ccccc1 1559565710 QLXRKWNOPYPLMN-NVXWUHKLSA-N 268.404 3.806 30 20 CHED CC(C)(C)[C@@H](N=c1cc[nH]c(C#N)c1)c1ccc(F)cc1 1639647127 YTANTHSVLJNMSZ-INIZCTEOSA-N 283.350 3.714 30 20 CHED CO[C@@H](CSc1cccnc1C#N)c1ccc(F)cc1 1643924729 LAYNBEVINKMNAX-AWEZNQCLSA-N 288.347 3.572 30 20 CHED CCc1cc(N[C@H]2CCc3cc(C#N)ccc32)nc(CC)n1 1651812357 XBZLRAAIPKRILC-INIZCTEOSA-N 292.386 3.572 30 20 CHED CCC[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 1655005894 WTEGHSNHIXAPRR-AWEZNQCLSA-N 294.345 3.924 30 20 CHED C=C[C@@H](N[C@H](CCc1ccccc1)c1ccccc1)C(=O)O 1588692796 KAVLIRHDSNPHNO-QZTJIDSGSA-N 295.382 3.589 30 20 CHED N#Cc1nc(N[C@@H]2CCC[C@H](C3CC3)C2)ccc1Cl 1651163863 VBFMXTLANKRCRA-NWDGAFQWSA-N 275.783 3.987 30 20 CHED CC1(C)CCC/C(=C\c2ccc(/C=C\C(=O)O)o2)C1=O 1593885526 MMUVIJDUXXXRAZ-QEFCTBRHSA-N 274.316 3.540 30 20 CHED C[C@H](NC(=O)NCc1cccc(C#N)c1)[C@H]1CCC[C@@H](C)C1 1675772126 TWBDCNYLVBAYQC-KEYYUXOJSA-N 299.418 3.572 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@@H]2CCC(C)(C)C2)C1 1776153661 SDZYUXMUDQCSAP-RHSMWYFYSA-N 279.424 3.556 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C(=O)O)c1ccccc1C 1776180814 LLZWGNYQQIVLMW-GOSISDBHSA-N 295.382 3.809 30 20 CHED C=C(C)COc1cccc(NC(=O)C[C@@H](C)SC)c1 162790512 AXGSFMNHCMXQPO-GFCCVEGCSA-N 279.405 3.722 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1[N+](=O)[O-] 206976903 VRTXQBOGQPGELB-FPLPWBNLSA-N 292.294 3.671 30 20 CHED Clc1ccc(C#CCSc2ccncc2)cc1 160016035 PZQVDDSRTIYEIK-UHFFFAOYSA-N 259.761 3.879 30 20 CHED C=C(C)CN1CCC(NC2CCCCCCC2)CC1 152999382 RGIIUWWRTHITIH-UHFFFAOYSA-N 264.457 3.729 30 20 CHED C[C@H](c1ccccc1F)N(C)c1ccc([N+](=O)[O-])c(C#N)c1 156421584 KUYVRYVLURXZLW-LLVKDONJSA-N 299.305 3.803 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)nc1 156680106 SLKUAHQARJIDOQ-ZWNOBZJWSA-N 287.725 3.714 30 20 CHED C=CCC[C@H](N[C@H](C)CCn1cccn1)c1ccccc1 159125204 VIDQWDQEEKCXNO-AEFFLSMTSA-N 283.419 3.959 30 20 CHED C=C(C)COCCNCc1cc(Cl)ccc1Cl 159547146 KPEFHNBXLIHOQT-UHFFFAOYSA-N 274.191 3.676 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](N)[C@@H](C)C1 832737302 RIBYIDFSVQPYDI-JKSUJKDBSA-N 282.472 3.713 30 20 CHED CC(C)(C#N)CCCCN1CCCOc2ccccc21 232528205 CERACIPJEDSPJF-UHFFFAOYSA-N 272.392 3.996 30 20 CHED CN1CCN(CCCCC(C)(C)C#N)c2ccccc21 234336929 RKYVIPJEMFFHLC-UHFFFAOYSA-N 271.408 3.663 30 20 CHED CN(CCCOc1cccc(C#N)c1)C1CCCCC1 34674090 XWQNUPILYQHXEL-UHFFFAOYSA-N 272.392 3.592 30 20 CHED C[C@H](Nc1ccc(CC#N)cc1)c1cccc(C#N)c1 37302016 PXXYMIAQGGHBRO-ZDUSSCGKSA-N 261.328 3.797 30 20 CHED COc1cc(F)ccc1N[C@H](C)c1ccc(C#N)cc1 49563764 ULAQWRNREJUVSB-LLVKDONJSA-N 270.307 3.879 30 20 CHED N#Cc1ccc(NCC2(c3ccccc3)CC2)c(F)c1 63508409 ZCTVCHQBGRKDGK-UHFFFAOYSA-N 266.319 3.841 30 20 CHED N#Cc1cccc(CN2CC[C@H]3CCCC[C@H]3C2)c1F 300240587 RDICNTOWNWYXOW-HIFRSBDPSA-N 272.367 3.709 30 20 CHED C#CCN(C(=O)c1ccc(C)cc1C)C1CCCCC1 65777728 XFFFDOSJITWHPL-UHFFFAOYSA-N 269.388 3.712 30 20 CHED Cc1ccccc1CCNc1ncc(C#N)cc1Cl 339233697 QPLUPKQEKLOSOE-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1coc2ccccc12 804836304 FRHKPNDSVDFKJN-UHFFFAOYSA-N 289.334 3.708 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(Br)c1F 857656878 FLRBCAFUGPRZIS-UHFFFAOYSA-N 298.155 3.576 30 20 CHED Cc1ccc(NC(=O)c2cccc(C#N)c2)c(Cl)c1 5637082 SVPYYADXQMJRSS-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CCN(Cc1ccc(C#N)cc1F)C1CCCCC1 19804718 AWKUBTSWBCEBQY-UHFFFAOYSA-N 260.356 3.852 30 20 CHED N#Cc1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)c(F)c1 36886761 SBVREGRQVBTYNV-UONOGXRCSA-N 258.340 3.714 30 20 CHED N#Cc1ccc(Oc2cccc(F)c2C#N)c(F)c1 36886941 NHSQLYIZWWGKJR-UHFFFAOYSA-N 256.211 3.500 30 20 CHED Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)o1 36960217 JSAGYLDPOCXFLP-STQMWFEESA-N 254.333 3.872 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCCc2ccccc21 44340478 NVFMWGDPDGZWDL-INIZCTEOSA-N 257.377 3.531 30 20 CHED C=CCNC(=O)Nc1ccc(-c2ccccc2)cc1 48469312 NLEDLTVXDXQMPJ-UHFFFAOYSA-N 252.317 3.661 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C 48983806 PAGHBTSQGDINPC-CYBMUJFWSA-N 279.771 3.768 30 20 CHED COCc1cccc(CNc2ccc(C#N)cc2Cl)c1 62790983 KNIPHOFODKCEOK-UHFFFAOYSA-N 286.762 3.970 30 20 CHED C=C(Br)CN1CCC[C@@H]1c1ccccc1OC 69610436 RDSORRGKTKMUBY-CYBMUJFWSA-N 296.208 3.741 30 20 CHED N#Cc1cccc(C(=O)Nc2ccccc2OCC2CC2)c1 76925344 NHHUZGOBAVWZEH-UHFFFAOYSA-N 292.338 3.599 30 20 CHED C#Cc1cccc(N(C(=O)c2ccccc2F)C(C)C)c1 77293913 AWZMPWLJTVYLPH-UHFFFAOYSA-N 281.330 3.862 30 20 CHED N#CCSc1ncc(-c2ccc(Cl)cc2)o1 78376537 IPWTUOBHHVPDKW-UHFFFAOYSA-N 250.710 3.611 30 20 CHED CCO[C@H]1C[C@H](Nc2ccc(CC#N)cc2)C12CCC2 87709852 DIYHTRSUGBTBEU-HOTGVXAUSA-N 270.376 3.512 30 20 CHED N#Cc1c(Cl)nsc1Sc1ccccc1F 92582591 WMWNMKAAEPOQHT-UHFFFAOYSA-N 270.741 3.958 30 20 CHED Cc1cc(C)cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 106421197 WVHSTTOVZSLLGN-INIZCTEOSA-N 298.773 3.952 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)Nc1cccc(C#N)c1)C1CC1 109846743 HWXGCNONEIHKHI-QWHCGFSZSA-N 285.391 3.989 30 20 CHED Cc1ccccc1-c1noc(-c2ccc(C#N)cc2)n1 113731789 FWSTWPHCURDNMZ-UHFFFAOYSA-N 261.284 3.584 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)[C@@H]1CCCNC1 116306659 JDUKHMDPJFWMPJ-JKSUJKDBSA-N 282.472 3.631 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(Cl)ccc2F)C1 116807997 HTRPVMGPTIWXEJ-BONVTDFDSA-N 294.757 3.681 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1[nH]c(C)cc1C 119878122 DBELZYBBRNOPAV-UHFFFAOYSA-N 274.389 3.521 30 20 CHED C#CCCCCC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 120253477 DGWQOQJMTWJVSP-ACJLOTCBSA-N 287.378 3.759 30 20 CHED C=CCN(C)Cc1ccc(Br)c2cccnc12 121375663 JSJFCGWTOGQHDV-UHFFFAOYSA-N 291.192 3.615 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCCF)cc1 127012449 WUAYKYZHXPOQIH-GFCCVEGCSA-N 271.763 3.828 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc(CCC)cs1 127210107 AUNZUDHKABIRPI-UHFFFAOYSA-N 264.394 3.803 30 20 CHED CCOCCC1(CNc2c(C#N)cnc3ccccc23)CC1 127807894 NZEBIHLIITXZRI-UHFFFAOYSA-N 295.386 3.725 30 20 CHED CC(C)CC[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1 128253552 PDWLOGREVUDAIO-KRWDZBQOSA-N 284.403 3.989 30 20 CHED CCC(CC)CC(=O)Nc1cc(C#N)ccc1OC(F)F 128320037 ZTGGYFWSBIEGGK-UHFFFAOYSA-N 296.317 3.924 30 20 CHED C[C@]1(C/N=C/c2cc(Cl)cc(Cl)c2O)CCCO1 132418245 PYWILTQUEADYTK-DFWYYUMKSA-N 288.174 3.687 30 20 CHED C[C@]1(C/N=C/c2c(O)ccc3ccccc23)CCCO1 132419960 ZBMULVRKLURAQS-AUUUKSDWSA-N 269.344 3.533 30 20 CHED Cc1cc(Cl)cc(C(=O)N(C)c2ccccc2C#N)c1 133949317 AHZYOELIOMBEOB-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CC(C)CCC[C@H](C)NCc1ccc(C#N)s1 135666011 YBRUYUUAGGMFQE-LBPRGKRZSA-N 250.411 3.924 30 20 CHED CCC1CCC(CNCc2ccc(C#N)s2)CC1 135690184 WCCDYPQRPPWVDK-UHFFFAOYSA-N 262.422 3.926 30 20 CHED Cc1ccc(C[C@H](C)NCc2ccc(C#N)s2)s1 135692920 VGPOLCJMEJCBNG-JTQLQIEISA-N 276.430 3.711 30 20 CHED C#Cc1cccc(NCc2csc(C(C)C)n2)c1 153473473 LGTMTATWFVPBNO-UHFFFAOYSA-N 256.374 3.860 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1)c1ccccc1F 155511316 KSHSKTBXFGJALY-UHFFFAOYSA-N 282.362 3.765 30 20 CHED CC(C)[C@H](Sc1cccc(C#N)c1)C(=O)NC(C)(C)C 158775834 FXQLMSYJOAEYLK-AWEZNQCLSA-N 290.432 3.590 30 20 CHED Cc1ccc(/C=N/OCc2noc(C3CCCCC3)n2)cc1 160625667 DULLPXDMSNZZIJ-WOJGMQOQSA-N 299.374 3.976 30 20 CHED Cc1cc(C#N)ccc1COc1cc([N+](=O)[O-])ccc1C 165557442 YCVFCZQVTUGXMB-UHFFFAOYSA-N 282.299 3.662 30 20 CHED C=CCCCC(=O)N[C@@H]1CCSc2c(F)cccc21 175141422 RUKNNJJMOGHJSX-CYBMUJFWSA-N 279.380 3.835 30 20 CHED C=CCCCC(=O)Nc1ccc(COC(C)C)cc1 175419527 MBPYIGUQQUEPRW-UHFFFAOYSA-N 261.365 3.906 30 20 CHED Cc1cnc([C@H](C)/N=C/c2cc3ccccc3nc2O)s1 175894975 WYEHUPOTWFVOJZ-DTQASYIRSA-N 297.383 3.885 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(OC(C)C)n1 179112394 KXEFXIMFCJBBIH-UHFFFAOYSA-N 290.407 3.687 30 20 CHED C=CCN1CCC(N[C@@H]2C[C@@H](C)c3c(C)cccc32)CC1 179421082 YYEOFEBGHZMNAN-CRAIPNDOSA-N 284.447 3.783 30 20 CHED CC(C)[C@@H](NCCCC(C)(C)C#N)c1nc(C2CC2)no1 179822067 BJRQIYJUDLQUDI-CYBMUJFWSA-N 290.411 3.564 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C1CC1)[C@H](C)C1CC1 181096148 KBRURJQPFKOBEZ-CHWSQXEVSA-N 264.413 3.704 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1cccc(-n2cccc2)c1 181988746 JVGOTQKXGIJDKL-HNNXBMFYSA-N 282.343 3.572 30 20 CHED C[C@H]1CC(C(=O)Nc2ccc(CC#N)cc2)C[C@H](C)C1 182637263 FWAJBUZDTARLDU-CHWSQXEVSA-N 270.376 3.763 30 20 CHED C[C@@H]1CC(C(=O)N(C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 182939316 NAEGBTVIGGGABF-KBPBESRZSA-N 284.403 3.589 30 20 CHED CC(C)c1ccc(C(=O)N(CCC#N)CC2CC2)s1 186221092 VPFKOZQKYONJHM-UHFFFAOYSA-N 276.405 3.637 30 20 CHED C=CCC[C@@H](C)N[C@@H](c1noc(C)n1)c1ccccc1F 186315406 YYWUITXJJJROMV-IAQYHMDHSA-N 289.354 3.551 30 20 CHED C=CCCCCCN(C)C(=O)NC1Cc2ccccc2C1 186710460 KUKPUAAYWBDHSD-UHFFFAOYSA-N 286.419 3.542 30 20 CHED C#CCOc1ccccc1NC(=O)CC1CCCCC1 187191194 HAZSGZAERYHMTN-UHFFFAOYSA-N 271.360 3.608 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 188575381 ULJUICFFINHJAI-YQQAZPJKSA-N 281.440 3.689 30 20 CHED C=C[C@H](CC(=O)O[C@@H]1CCc2cccnc21)c1ccccc1 189407221 ZLKUURUTWXLRJA-RHSMWYFYSA-N 293.366 3.972 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cccc(Cl)c1 189847802 SOSCWRXXVQWBQG-HNNXBMFYSA-N 265.784 3.901 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 192056990 KIEYVKMXJHUTAL-ACJLOTCBSA-N 280.346 3.890 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)c2ccccc2n1 192766920 CHPPBHZJMFVVSQ-UHFFFAOYSA-N 268.360 3.581 30 20 CHED N#Cc1c(CNc2cc(F)ccc2F)cn2ccccc12 193406251 XMYVCSMTWLQXJY-UHFFFAOYSA-N 283.281 3.701 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1ccccc1 198619973 OCUQMMRAHBZEHJ-QXMHVHEDSA-N 268.312 3.600 30 20 CHED C[C@H](NCc1cccc2cc[nH]c12)c1ccc(C#N)cc1 218139771 ZRIXNEZEUCXMIH-ZDUSSCGKSA-N 275.355 3.890 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(F)ccc1O 218981525 YMUPACBEYFFYOD-UHFFFAOYSA-N 271.335 3.720 30 20 CHED C[C@H]1CCCN(c2cccc(Br)c2C#N)C1 228703536 LSNJACHJNVTKMW-JTQLQIEISA-N 279.181 3.557 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@H]2CCCC[C@@H]2C1 229956474 VUOBSAAUIRLSLS-UKRRQHHQSA-N 272.367 3.709 30 20 CHED COc1ccc(N(C)CCCCC(C)(C)C#N)cc1 234862481 JAJNYWXJKPCYRB-UHFFFAOYSA-N 260.381 3.851 30 20 CHED N#CCC[C@@H](N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 246578367 YLWAZXGNPJKKFJ-LLLHUVSDSA-N 254.377 3.810 30 20 CHED C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@H]1C 246784765 IOPVIPMOVSCPGG-KBPBESRZSA-N 256.393 3.718 30 20 CHED CCOc1ccc(C=NOCc2ccccc2C)cc1OC 250527671 YTHYBLNSPOFOSZ-UHFFFAOYSA-N 299.370 3.953 30 20 CHED C=CCCC(=O)N(C)Cc1ccccc1OC(F)(F)F 263993250 OROCWZMMWDTHLW-UHFFFAOYSA-N 287.281 3.510 30 20 CHED N#Cc1ccc(Cl)cc1NC(=O)CSCC1CCC1 266301686 AROHOQYREOMVNU-UHFFFAOYSA-N 294.807 3.683 30 20 CHED Cc1cc(F)cc2c(NCCCCC#N)c(C#N)cnc12 266342392 IHAVOYZSKLVFJU-UHFFFAOYSA-N 282.322 3.660 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)c(F)c1 267255747 MLKZCXUBNFPZDF-UHFFFAOYSA-N 276.355 3.536 30 20 CHED COc1ccc([C@H](C)CC/N=C(\N)Nc2ccccc2)cc1 267446759 QGRAFOZLUCBCRN-CQSZACIVSA-N 297.402 3.616 30 20 CHED CN(CCC#N)Cc1csc(C2CCCCC2)n1 267566252 BZSGMOAMHPAXDW-UHFFFAOYSA-N 263.410 3.536 30 20 CHED COc1ccc(C#N)cc1NC(=O)C(C)(C)CC(C)C 267779919 ZNMFBPPYGJAQCO-UHFFFAOYSA-N 274.364 3.578 30 20 CHED CCC(CC)c1cc(CNc2nccc(C)c2C#N)on1 273300005 GYHLHGAUQYCJHC-UHFFFAOYSA-N 284.363 3.765 30 20 CHED C#CCCCCc1nc([C@@H](C)c2cccs2)no1 273746764 AVBFOWPTUMRLMR-NSHDSACASA-N 260.362 3.629 30 20 CHED CC(C)c1ccc(-c2noc(C(C)(C)C#N)n2)cc1 273765501 RIRFGHDEABTOMX-UHFFFAOYSA-N 255.321 3.661 30 20 CHED N#CCCCCSc1nc(C(F)(F)F)ccc1C#N 275010059 NASGAVQHFOIGLK-UHFFFAOYSA-N 285.294 3.758 30 20 CHED C=CCCN(C)C(=O)CCCc1ncc(-c2ccccc2)o1 276149447 OTURJQBVMOOYCP-UHFFFAOYSA-N 298.386 3.699 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N([C@H]2CC[C@@H](C#N)C2)C1 278656508 QCXRGGUWCJTSPM-HZMVEIRTSA-N 268.404 3.865 30 20 CHED C[C@@H](CSC[C@@H](C#N)CCC#N)c1ccccc1 280192315 DCYNTZKXSLNWQI-UONOGXRCSA-N 258.390 3.967 30 20 CHED C#CCCCCNC(=O)N(CC(=C)C)Cc1ccccc1 280845184 JWQGJKPESGAXFT-UHFFFAOYSA-N 284.403 3.578 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1nc(C(C)C)oc1C 285292611 VIIXUUMXWRMFIW-UHFFFAOYSA-N 298.386 3.935 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2sccc2Cl)C1 285427342 HDQXMKLIRXDMDM-ZANVPECISA-N 282.796 3.604 30 20 CHED C[C@@H](SCCOC1CCC1)c1ccc(C#N)cc1 289352599 HAKNNWRKATYUHZ-GFCCVEGCSA-N 261.390 3.922 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2cc(C)ccc2s1 290759877 QKJLYSPBJSSKOO-LBPRGKRZSA-N 272.373 3.632 30 20 CHED C=C[C@@H](CC(=O)N1CC(C)(CC)C1)c1ccccc1 291102109 RVHXOWBNZRVRQM-AWEZNQCLSA-N 257.377 3.605 30 20 CHED N#Cc1csc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)c1 292441270 MRECQWKLYMCANF-SNVBAGLBSA-N 298.358 3.565 30 20 CHED CCc1nc(C(C)C)ccc1COC(=O)CC(C)(C)C#N 293190826 WKTRZWGVUGGRLL-UHFFFAOYSA-N 288.391 3.750 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(F)ccc2Cl)C1 293836527 XKVLPAZGEUNOIS-BONVTDFDSA-N 294.757 3.681 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H](c2ccncc2)C1 295945349 LLUUVDFADNNLEH-KRWDZBQOSA-N 285.435 3.981 30 20 CHED CC(C)(CNC(=O)Nc1ccc(CC#N)cc1)C1CCC1 296165858 BCNKMRJFOBZLEU-UHFFFAOYSA-N 285.391 3.700 30 20 CHED N#C[C@]1(C(=O)Oc2ccccc2Cl)CC12CCCC2 297408676 CRFQUYSWUJHLSZ-HNNXBMFYSA-N 275.735 3.719 30 20 CHED Cc1ccc(CN(C)c2c(F)cc(C#N)cc2F)s1 301152493 LCTUEWZTEMGUKN-UHFFFAOYSA-N 278.327 3.843 30 20 CHED CCOc1cccc([C@H](C)Nc2cccc(C#N)n2)c1 301264725 HFZGKTUIGYRCMQ-LBPRGKRZSA-N 267.332 3.525 30 20 CHED N#Cc1c(F)cccc1N[C@H]1C[C@@H]1c1c(F)cccc1F 301321639 SXQSGEJTDUMAKP-VFZGTOFNSA-N 288.272 3.944 30 20 CHED COc1cc(C)ccc1CNc1ccc(Cl)c(C#N)n1 301639831 YGLLFGXEZMZVMQ-UHFFFAOYSA-N 287.750 3.536 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1Nc1ccc(F)cc1C#N 302407762 HUBPYJDULHMNRD-JKSUJKDBSA-N 276.355 3.703 30 20 CHED N#Cc1ccc(NC2CCCC2)nc1NC1CCCC1 302775477 OOVCEFAPGOJUMQ-UHFFFAOYSA-N 270.380 3.662 30 20 CHED COc1cc(C/N=C(/N)Nc2ccc(C)c(C)c2)ccc1C 303885976 NOKIQZXJPLZLGH-UHFFFAOYSA-N 297.402 3.547 30 20 CHED CCCOc1cccc(C(=O)Nc2ccc(C#N)c(F)c2)c1 308099182 FTNXROVZLTYLTA-UHFFFAOYSA-N 298.317 3.738 30 20 CHED N#Cc1ccc(-c2nc(-c3cccc4ccccc34)no2)nc1 323246376 BVFOTOSEJBFDEP-UHFFFAOYSA-N 298.305 3.823 30 20 CHED O/C(=N/Cc1cccnc1)c1coc(C2CCCCC2)n1 328714307 CIZCRVSMYWTFHP-UHFFFAOYSA-N 285.347 3.622 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C[C@@H]2CCCC[C@H]2C)C1 328724233 AUSDVHJMKMFXHC-RNJOBUHISA-N 266.385 3.524 30 20 CHED C[C@H](/N=C(/O)Nc1cccc2ccsc12)[C@H]1CCCO1 328830273 RBLUTKAKQXPECC-GXFFZTMASA-N 290.388 3.795 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2CCCCC2(C)C)C1 328871045 DIHHGCUPEIUFIP-SRVKXCTJSA-N 266.385 3.667 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc3c(c2)CCC=C3)C1 329652068 KZIFUOYDJOSQNP-KUHUBIRLSA-N 294.398 3.848 30 20 CHED Cc1ccc2nc(N=C(O)C3CCC(=O)CC3)sc2c1 329815301 VDSGEYAXPJPHPW-UHFFFAOYSA-N 288.372 3.952 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1/C(O)=N/[C@H](C)C[C@@H](C)O 330792360 DMDPSXLRMQJMOH-RKDXNWHRSA-N 294.782 3.594 30 20 CHED C[C@@H]1C[C@@H](CC/N=C(/O)NC(C)(C)CC(C)(C)C)CCO1 330812527 KUDWEPNXSYRTSW-KGLIPLIRSA-N 298.471 3.910 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]1C#N 331153180 XSDGHUUUOPHZAK-OWCLPIDISA-N 276.424 3.791 30 20 CHED CCC1(CN/C(O)=N/CC2CCC(C#N)CC2)CCCC1 331302839 QENKFWUWQBWDJL-UHFFFAOYSA-N 291.439 3.790 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cscn1 334923894 WSPQBXCJEMZDRJ-ABAIWWIYSA-N 283.400 3.743 30 20 CHED N#Cc1cncc(S[C@@H]2CCCc3ccccc32)n1 335000173 OQVIBGNZXIFLOD-CQSZACIVSA-N 267.357 3.518 30 20 CHED N#CCCC1CCN(c2nccc3cc(F)ccc23)CC1 335381211 VDVROBZQLPOLPP-UHFFFAOYSA-N 283.350 3.894 30 20 CHED N#Cc1cnc(C(=O)Nc2ccsc2Cl)c(Cl)c1 335412350 KGYADZKERIHCIP-UHFFFAOYSA-N 298.154 3.574 30 20 CHED N#C[C@@H](NC(=O)c1cc2cccc(Cl)c2s1)C1CC1 335414746 AIGPTFNWOOETLN-LLVKDONJSA-N 290.775 3.587 30 20 CHED Cc1ccc(NC(=O)c2ccc(C#N)s2)c(Cl)c1 335862134 NUVUKVSJFMATSQ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED N#CCc1ccccc1NC(=O)c1cccc(F)c1Cl 335995679 RETCXBIWVYOOCS-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(C#N)cc2Cl)no1 336039792 BNSLXGUVNHLULP-UHFFFAOYSA-N 289.722 3.575 30 20 CHED CN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 336093807 JWSGMSHJSTVPCZ-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 336245480 FXWKXHIUCRDHPO-BTDLBPIBSA-N 297.358 3.614 30 20 CHED Cc1cc(F)ccc1NC(=O)c1cc(C#N)ccc1Cl 336470817 NLTJMWBFHONZHC-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1cc(NC(=O)N2CCC(C#N)CC2)cc(C)c1Cl 336500967 CYXPGVASYOBLEO-UHFFFAOYSA-N 291.782 3.724 30 20 CHED CCN(C[C@H](C)C#N)C[C@H](OC)c1ccc(Cl)cc1 338234982 JPNHBZULBFSFAA-DOMZBBRYSA-N 280.799 3.509 30 20 CHED C[C@@H](C[S@](=O)Cc1ccccc1C#N)c1ccccc1 339152317 GSTXJHVINGFGLG-XOBRGWDASA-N 283.396 3.611 30 20 CHED N#Cc1ccc(Cl)cc1OCCCO[C@@H]1CCCCO1 341298248 ZCCQCTAHYWUEHY-OAHLLOKOSA-N 295.766 3.524 30 20 CHED CC[C@H](C)[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 341685103 QNGZYUQRYIRBNE-OGHNNQOOSA-N 256.393 3.960 30 20 CHED Cc1ccc(C[S@@](=O)Cc2ccc(CC#N)cc2)cc1C 342147805 ZJJQWKXLIRETLP-NRFANRHFSA-N 297.423 3.818 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccccc2CC#N)cc1 344393471 POTHVRTYIGDSIX-UHFFFAOYSA-N 292.338 3.570 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccncc1 348231866 IDCDHIPSNZWJCA-UHFFFAOYSA-N 252.361 3.660 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[C@@H](F)C1 348323172 JLFMLYHKKRWJKY-VYDXJSESSA-N 272.367 3.806 30 20 CHED C=CCCS(=O)(=O)Nc1cccc(C(F)F)c1Cl 350730537 UAEXZYYXKRXWBK-UHFFFAOYSA-N 295.738 3.595 30 20 CHED CC(C)(CCC#N)CNC(=O)NCCC1CCCCC1 350746037 FURYSRHMDSHBHS-UHFFFAOYSA-N 279.428 3.586 30 20 CHED C[C@H](c1ccccc1Cl)N(C)C(=O)CC(C)(C)C#N 350789689 ZJNADQVHFVVKSR-LLVKDONJSA-N 278.783 3.799 30 20 CHED C=CCC1(C(=O)N(C)c2ccc3cc[nH]c3c2)CCC1 352438836 MYZOTTGLQNBBHI-UHFFFAOYSA-N 268.360 3.877 30 20 CHED COc1cccc(N[C@@H]2CCc3ccc(C#N)cc32)c1 353331376 QMKYNXPKWJIIED-QGZVFWFLSA-N 264.328 3.666 30 20 CHED N#Cc1ccncc1NCCCCCOC1CCCCC1 354340643 PZLOBWFABLRSEI-UHFFFAOYSA-N 287.407 3.885 30 20 CHED C=CCN(CC=C)[C@@H](C)c1nnc(-c2cccs2)o1 355451192 UPVBGRWTSYLEHT-NSHDSACASA-N 275.377 3.533 30 20 CHED Cc1nsc(Sc2cc(F)ccc2F)c1C#N 360881320 QBFMNERMIKVBAD-UHFFFAOYSA-N 268.313 3.753 30 20 CHED COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2CC#N)c1 364711071 PFEYRHBDQNRVKK-RBUKOAKNSA-N 292.382 3.749 30 20 CHED Cc1ccc([C@H]2CCCN2c2cc(C#N)ccn2)cc1 367721619 QKIPFKSNAVDRDO-MRXNPFEDSA-N 263.344 3.603 30 20 CHED CC[C@](C)(C#N)C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 367738099 RNZIOKZPRFKTFQ-UWWQBHOKSA-N 284.403 3.639 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccc(C#N)s1)C2=O 371879891 MMBXBOKOVJZRLA-XFFZJAGNSA-N 281.336 3.587 30 20 CHED C=C(C)CN1CCCC[C@H]1c1nc2ccccc2o1 378148621 YIDWOXNNFXQARY-AWEZNQCLSA-N 256.349 3.931 30 20 CHED C#CCN(C)CCCN[C@H](c1cccs1)C1CCCC1 380841561 OUIUUSSJHNSUTG-KRWDZBQOSA-N 290.476 3.524 30 20 CHED C=CCCCCN[C@H](C)c1ccc(OC)cc1F 381141132 DLRMIRKVDINWCL-GFCCVEGCSA-N 251.345 3.841 30 20 CHED CON=C(C)c1ccc(OCc2ccccc2)cc1 382000090 QUJLVNFEFGBKLU-UHFFFAOYSA-N 255.317 3.636 30 20 CHED C=CCOCCN[C@@H](C)c1ccc(C(C)(C)C)cc1 388537656 MQTGHBISZMIJOU-AWEZNQCLSA-N 261.409 3.837 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(Br)cn1 393737242 CNSOOUQLFQZGHP-CMPLNLGQSA-N 283.213 3.849 30 20 CHED CC(C)(C)c1csc(CN2CCC(CCC#N)CC2)n1 399296888 DDBGCERDYGPBGR-UHFFFAOYSA-N 291.464 3.956 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)[C@@H](C)C[C@H](C)C2 411006817 FCXKMFJGYGOZII-UWVGGRQHSA-N 276.405 3.900 30 20 CHED Cc1sc(CNc2ncc(C#N)cc2F)nc1C(C)C 413145705 OBNYKUCPGIKRFR-UHFFFAOYSA-N 290.367 3.593 30 20 CHED C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@@H]1CC[C@@H](C#N)C1 414343993 BZAQHYAJPOSPBS-XJKCOSOUSA-N 299.393 3.530 30 20 CHED CSC[C@@H]1CCc2nc3ccc(C#N)cc3c(C)c2C1 416392753 TUDUWKFQCMPKGZ-CYBMUJFWSA-N 282.412 3.883 30 20 CHED Cc1c(NC(=O)CC2=CCCCC2)ccc(C#N)c1C#N 421557190 LBXCKQKHNUGYKT-UHFFFAOYSA-N 279.343 3.567 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N1CCc2c(C#N)cccc21 421658074 RCLZIFPWJOLIMF-BBRMVZONSA-N 282.387 3.664 30 20 CHED CO[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 425533737 LALSBPANBRTTHT-KXBFYZLASA-N 294.398 3.939 30 20 CHED C[C@@H]1CC[C@@H](N(C)CC#Cc2cccc(Cl)c2)C1 429563642 BTISZNQIUGCOJW-CZUORRHYSA-N 261.796 3.812 30 20 CHED C=CCCO[C@@H](C)C(=O)NCC1CCC(C(C)C)CC1 432322555 LUBYQXDKCIKPIR-FHERZECASA-N 281.440 3.546 30 20 CHED CCN(C(=O)[C@H](C#N)CCc1ccccc1)C1CCCCC1 433234742 TWUDRRSGPSVTHV-KRWDZBQOSA-N 298.430 3.940 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCCC(C)C 436298868 IARZBUXIZFXAEE-JYJNAYRXSA-N 253.430 3.772 30 20 CHED C=CC[C@H]1N(CC[C@H]2CCCN2C)CCCC1(C)C 444794101 UPWHZIXQQZQPMY-HZPDHXFCSA-N 264.457 3.537 30 20 CHED C=CC(C)(C)CNCc1nc2c(s1)C[C@@H](C)CC2 449485221 LHJMXOBOKUZRIT-NSHDSACASA-N 264.438 3.570 30 20 CHED CC(C)N(C)c1ccc(CNc2cccc(CC#N)c2)cn1 449693010 CUWPRQULZAEHMP-UHFFFAOYSA-N 294.402 3.604 30 20 CHED N#Cc1cccc(NCC2CCC(F)(F)CC2)c1[N+](=O)[O-] 450506252 INMUZBBRDSNGII-UHFFFAOYSA-N 295.289 3.704 30 20 CHED CC1(C#N)CCC(Nc2cccc(NC(=O)C3CC3)c2)CC1 453179728 PWQSDUOUIMBRDU-UHFFFAOYSA-N 297.402 3.919 30 20 CHED C=CCC[C@H](CO)N[C@H]1CCSc2cc(C)c(C)cc21 453359493 OVQXSDHFGTXAMQ-ZBFHGGJFSA-N 291.460 3.757 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(Cl)c1C 454166923 UNPFOFZSSKOCQE-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=C(CC)CNC(=O)Nc1cccc2ccc(C)nc12 454739524 FGMRADQCOHOQQQ-UHFFFAOYSA-N 269.348 3.631 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 455326089 OGNFFHVADCHXAQ-RDJZCZTQSA-N 286.419 3.849 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2cccc(CC#N)c2)C1 456749196 KMJHVJODHKIOHO-TZMCWYRMSA-N 256.349 3.517 30 20 CHED C[C@H](CC1CCCC1)C(=O)NCc1ccc(C#N)c(F)c1 456852134 YRKWXJRKXQRLMX-GFCCVEGCSA-N 288.366 3.530 30 20 CHED CC[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1ccc(C)cc1 457483613 FYOYFANSPZTHSV-OAHLLOKOSA-N 287.407 3.637 30 20 CHED C=CC[C@@H](C)NC(=O)c1sc(C)cc1Br 457576477 PALSWODOGATJHH-SSDOTTSWSA-N 288.210 3.513 30 20 CHED CC(C)[C@H](CC(=O)NCC(C)(C)CC#N)c1ccccc1 457994977 PLBTWRGOCLIXHD-INIZCTEOSA-N 286.419 3.872 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)NCC(C)(C)CC#N 459260361 PMOPXWPHVFBTEE-UONOGXRCSA-N 279.428 3.536 30 20 CHED COc1cc(CNCC(C)(C)CC#N)cc2ccccc12 459731615 NTYVSJLOFPJTEK-UHFFFAOYSA-N 282.387 3.878 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)C[C@H]1C 460788571 CLBHEXVMXFIDGD-HUUCEWRRSA-N 296.418 3.756 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N(C)[C@H](C)C1CC1 460954441 VPTHYWBVNPGZBS-CQSZACIVSA-N 296.418 3.756 30 20 CHED C[C@H](C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C)c1cccc(C#N)c1 462197048 DTKOIQFFCHOYHD-ZQIUZPCESA-N 298.430 3.993 30 20 CHED Cc1cc(C)cc(NCCOc2cccc(C#N)c2)c1 462226785 YJUPEMMYZMHIRX-UHFFFAOYSA-N 266.344 3.666 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCCCC12CCCC2 462978696 VXWPNBGGEYGFMK-OAHLLOKOSA-N 261.409 3.799 30 20 CHED CCC1(CC)CN(Cc2ccc(CC#N)cc2)CCS1 464578184 MMAHLVJBTZHPLK-UHFFFAOYSA-N 288.460 3.860 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1c1ccccc1Cl 464758272 YCRLXDWKWCOCKO-FZMZJTMJSA-N 278.783 3.761 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(C#N)ccc1C 465243002 PPXSWTVJZMKMQQ-ZIAGYGMSSA-N 271.364 3.567 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2cccc(F)c2)CCC1 466541891 PHOQHPKAXRNHBZ-HNNXBMFYSA-N 275.367 3.718 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCC[C@H](C)CC1 468094809 XCTIQTYWKQIPBS-HOTGVXAUSA-N 281.440 3.834 30 20 CHED C=CCCCCNCc1cc(OC)ccc1OC(F)F 472075540 WISNOCXWSZHGAK-UHFFFAOYSA-N 285.334 3.743 30 20 CHED Cc1c(CN[C@H]2CCC[C@@H](C#N)C2)n(C)c2ccccc12 475199946 XUOGKLAVJASLSR-CABCVRRESA-N 281.403 3.659 30 20 CHED C=CCCCCCS[C@H](C)C(=O)N1CCCCC1 485581655 JENDDAASCGEHDO-CQSZACIVSA-N 269.454 3.867 30 20 CHED Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(C#N)s2)c1 487534707 HFILIHBYNMGZOR-ZDUSSCGKSA-N 298.411 3.598 30 20 CHED Cc1nnc(S[C@@H](C#N)C2CCCCC2)n1C(C)C 488237314 UIJCSGDAZDXZQM-ZDUSSCGKSA-N 278.425 3.732 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)c1cc(C)sc1C 488386743 MNBMMPMTIQPCKJ-LBPRGKRZSA-N 288.416 3.843 30 20 CHED C=CCn1cccc1C(=O)Nc1nc(C(C)(C)C)cs1 488391051 BGLKLDHYALJMQG-UHFFFAOYSA-N 289.404 3.680 30 20 CHED N#Cc1ccsc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 497989427 JLSNOZKUZNUXAM-YRGRVCCFSA-N 288.416 3.708 30 20 CHED C=CCOc1ccc(C(=O)N2CCc3cccc(C)c32)cc1 500370054 ZYLVMDLFKSBKOC-UHFFFAOYSA-N 293.366 3.763 30 20 CHED CC(C)(C)CCC(=O)N[C@H](C#N)c1ccccc1Cl 505693184 CTGNLITXGVXEMF-CYBMUJFWSA-N 278.783 3.847 30 20 CHED C[C@@H]1Cc2ccccc2N(Cc2ccc(C#N)s2)C1 507714669 PIIBGNILTWJRMK-GFCCVEGCSA-N 268.385 3.819 30 20 CHED C=C(C)CCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 508991512 PESIQDVHPHMNBI-CYBMUJFWSA-N 287.382 3.937 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCc2ccccc2OC1 510949757 XEOGMTOONSAWGU-OFQRWUPVSA-N 259.393 3.571 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 516853989 ASRGCMXWKHSZLD-TZMCWYRMSA-N 298.777 3.750 30 20 CHED C=C(C)CCNc1ccc(C(=O)NC(C)(C)CC)cc1 517055122 CXIPOUZUXYUVKO-UHFFFAOYSA-N 274.408 3.983 30 20 CHED Cc1ccccc1OCCCNc1ccc(C#N)cc1F 517090162 BUFAWBRHSOECJH-UHFFFAOYSA-N 284.334 3.887 30 20 CHED C=CCCCCCN(C)c1ccc(C#N)c([N+](=O)[O-])c1 519615664 RZWLZFRRJRHSLM-UHFFFAOYSA-N 273.336 3.649 30 20 CHED N#Cc1cc(F)ccc1NCC1(c2ccccc2)CC1 521059983 SNUZLARNUUSCON-UHFFFAOYSA-N 266.319 3.841 30 20 CHED C=CCCCSCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 522757213 UNGFZRAKQZFOOI-AJNGGQMLSA-N 281.465 3.627 30 20 CHED C=CCCSc1nnc(Nc2ccc(OC)cc2)s1 523499345 JEKDDVMVMUTTBA-UHFFFAOYSA-N 293.417 3.959 30 20 CHED CC(C)c1nocc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 527869076 NKEOTTCZVDZNQL-UHFFFAOYSA-N 297.358 3.851 30 20 CHED CC1(C#N)CCN(Cc2c(F)ccc(F)c2Cl)CC1 529541952 NKMIFZWLAIMELI-UHFFFAOYSA-N 284.737 3.744 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1CCC[C@@H]1C)c1ccccc1 534628769 RADOKIGZJZOHDM-UXLLHSPISA-N 271.404 3.899 30 20 CHED C=C(C)COCCN[C@H]1C[C@H](C)c2c(C)cccc21 536843694 FLHQCXQDHUZJOJ-HOCLYGCPSA-N 259.393 3.726 30 20 CHED CC[C@@H]1CN(CC2(C#N)CC2)CC[C@@H]1c1ccccc1 539451291 LCMPSEXLYOTWPP-WBVHZDCISA-N 268.404 3.806 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC(CC#N)CC1 542854061 NPINNVAARZEYGT-HIFRSBDPSA-N 291.439 3.536 30 20 CHED N#Cc1ncn(Cc2ccc(C3CCCCC3)cc2)c1C#N 545209681 XCRHBYJCYOXZLN-UHFFFAOYSA-N 290.370 3.722 30 20 CHED C=CCCCCN[C@H](C)CC(=O)Nc1cccc(C)c1 546017548 RJSFDPRVFIBIPW-OAHLLOKOSA-N 274.408 3.658 30 20 CHED C=CCOCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 549929664 KPKRQYRAKKJCEK-VBNZEHGJSA-N 279.811 3.829 30 20 CHED CC[C@@](C)(C#N)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 552410406 XWFXQSKIOHFPLX-KUHUBIRLSA-N 298.430 3.898 30 20 CHED C=CCOCCN1CCSC[C@@H]1c1ccc(Cl)cc1 555364837 YQKUWXISFJIFPI-OAHLLOKOSA-N 297.851 3.633 30 20 CHED CCOc1cc2c(cc1N[C@@H]1CC[C@H](C#N)C1)O[C@@H](C)C2 555948372 OUDIGPREDWOGHT-SGMGOOAPSA-N 286.375 3.513 30 20 CHED Cc1nnc(S[C@H](C)c2ccc(F)cc2)c(C#N)c1C 557557976 GESWZPSYOCICMB-LLVKDONJSA-N 287.363 3.958 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccccc1OC(C)C 558423285 BWESIMSHWPEGOC-SUMWQHHRSA-N 288.391 3.591 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)C1CCC(C(C)C)CC1 561787824 PGQMWDQAKRRHAF-XUJLQICISA-N 264.413 3.599 30 20 CHED C=C[C@H](CC(=O)Nc1nc(CC)co1)c1ccccc1 566421651 UKPDFWIWACCWNH-GFCCVEGCSA-N 270.332 3.535 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCC1(F)F 567601801 BGZFWUKNERKTJB-JTQLQIEISA-N 284.737 3.689 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@]12CCC[C@H]1C2 569684098 BXUZSXDMUZZOMK-GUYCJALGSA-N 283.375 3.509 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@@H]2CC[C@H](C)C2)cc1 570432713 ZCJWWZSYMDRDAN-LXZKKBNFSA-N 284.403 3.756 30 20 CHED N#Cc1csc(CN2CCCCc3ccccc32)c1 572165400 CTBMDBITSBEJMQ-UHFFFAOYSA-N 268.385 3.963 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC[C@H]2COCC)cc1 574300326 ACRBZACQOKRZFU-WMZOPIPTSA-N 289.419 3.546 30 20 CHED C=CC[C@H](c1ccccc1)c1nc([C@H]2CCCO2)no1 577232249 YPQJMHWKDVCZOB-ZIAGYGMSSA-N 270.332 3.629 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCc1cccc(F)c1F)CC2 577546802 FNDZNYPRHXMVKC-QGZVFWFLSA-N 298.336 3.656 30 20 CHED CC(C)(C)OC(=O)CCS[C@H](C#N)c1ccccc1 579375840 VTNMJSFKFNUOQM-CYBMUJFWSA-N 277.389 3.716 30 20 CHED Cc1cc(=N[C@H](C)c2cccc(OC(C)C)c2)cc(C#N)[nH]1 587248461 ZYSOGOCNWREVFQ-CQSZACIVSA-N 295.386 3.644 30 20 CHED N#CCCCCCC(=O)N1CCCc2c(F)ccc(F)c21 588944748 NOPTWRWIWVGIBV-UHFFFAOYSA-N 292.329 3.718 30 20 CHED CC[C@H](C)CCC(=O)Nc1ccc(C#N)cc1Cl 588948701 WWYJNBHJONSXFL-JTQLQIEISA-N 264.756 3.976 30 20 CHED N#CCCCCCC(=O)N(CC(F)F)c1ccc(F)cc1 588979367 QCJDPVLHDALJJO-UHFFFAOYSA-N 298.308 3.898 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@@H](Cc2ccccc2)C(F)(F)F)C1 589344286 GGQGABJKHROOCM-KFWWJZLASA-N 296.336 3.689 30 20 CHED N#CCC1CCN(CCc2ccc(F)cc2Cl)CC1 589510375 CLSALHSWWMRQGT-UHFFFAOYSA-N 280.774 3.647 30 20 CHED N#CCC1(CNC(=O)Nc2ccc3c(c2)CCCCC3)CC1 593271599 LTFMHMVDAZCVIT-UHFFFAOYSA-N 297.402 3.771 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccccc1SC(C)C 594097300 IYGFIODATXUHGN-GFCCVEGCSA-N 276.405 3.561 30 20 CHED CC[C@H](C#N)N(C)C(=O)C(C)(C)Cc1cccc(Cl)c1 594098734 VWWIWWGYUXLQGB-CQSZACIVSA-N 292.810 3.669 30 20 CHED C=CCCSCCN[C@@H]1CCc2ccc(OC)cc21 595058732 KHPWISSITWARIL-MRXNPFEDSA-N 277.433 3.581 30 20 CHED C[C@@H](CCNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 595478461 DFDWPCZVWHHHLM-HOTGVXAUSA-N 299.418 3.515 30 20 CHED N#CC[C@H]1CCCN([C@@H]2CCCc3ccccc32)C1 595613287 ABKRKZHDVNXBQN-RHSMWYFYSA-N 254.377 3.690 30 20 CHED N#C[C@@H]1CC[C@H](Nc2nc3ccccc3n3cccc23)C1 596280997 LGMHSUKKJQNBJI-OLZOCXBDSA-N 276.343 3.592 30 20 CHED Cc1ccc(-c2cccc3c2OCCCO3)cc1CC#N 596642731 ZJVAPMLCGFZUDB-UHFFFAOYSA-N 279.339 3.889 30 20 CHED CC(C)Nc1ccc(Cl)cc1NC(=O)CCCC#N 597894885 RUERVDXIAVGLAP-UHFFFAOYSA-N 279.771 3.793 30 20 CHED CC[C@@H](C(=O)N(C1CC1)[C@@H](C)C#N)C1CCC(C)CC1 598131797 CZLYRDMVTCLTSR-NQKKVCCDSA-N 276.424 3.742 30 20 CHED C=C[C@@H](CC(=O)NCC1(SCC)CC1)c1ccccc1 598328416 INHCPDSSMNXESO-AWEZNQCLSA-N 289.444 3.748 30 20 CHED N#Cc1ccc(CCSCC[C@@H]2CCCC2=O)cc1 600639526 ZWEDBZYJXBQCHK-HNNXBMFYSA-N 273.401 3.593 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1C[C@]1(C)C(C)C 602387949 UFFKDJBZCFSMSY-WMLDXEAASA-N 288.366 3.673 30 20 CHED Cc1ccc(F)cc1N[C@H](C)CC1(C#N)CCOCC1 602490299 QJXSQPHSSGDPCQ-CYBMUJFWSA-N 276.355 3.645 30 20 CHED C=CCCCCCN(C)C(=O)NCCc1cccc(F)c1 606918648 MWSNYAZIDMURAU-UHFFFAOYSA-N 292.398 3.756 30 20 CHED C=C1CCN(C(=O)[C@H](C)c2ccccc2C(F)(F)F)CC1 607900528 OLOIXYRORHRKKG-GFCCVEGCSA-N 297.320 3.988 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc2c(s1)CC[C@H](C)C2 608821236 OZOZDYUVQAEWJR-AAEUAGOBSA-N 290.432 3.541 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc2ccc(F)cc2s1 608822345 COJDANXVNHOHJT-LBPRGKRZSA-N 290.363 3.708 30 20 CHED Cc1cccc2c1CCCN2Cc1ccccc1C#N 609625939 VIQKCUUXMSEELG-UHFFFAOYSA-N 262.356 3.820 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CC23CCC3)cc1 610739029 XWFMAPHEMBOUIB-INIZCTEOSA-N 298.386 3.522 30 20 CHED CSc1ccc(COc2ccc(C#N)cc2F)cc1 610859370 PGTZTMLIXBFBCR-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 611286109 UMPSUFLHWMGNCR-ZJUUUORDSA-N 299.201 3.905 30 20 CHED CCC[C@@H](C)N(C)Cc1c(C#N)c(C)nn1-c1ccccc1 611346060 LFGNXNUWAHBMKX-CQSZACIVSA-N 296.418 3.673 30 20 CHED CC[C@H](CSC)Nc1nc(C(C)(C)C)ccc1C#N 613429632 YVSWAATURHZHFH-GFCCVEGCSA-N 277.437 3.804 30 20 CHED CC1(C)CN(c2cc(C#N)ccc2C(F)(F)F)CCCO1 613879070 WAKPRQUGUXDQFW-UHFFFAOYSA-N 298.308 3.582 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccs1 618807349 YFPNGCAZHMVBSK-XHDPSFHLSA-N 268.385 3.958 30 20 CHED C=CC[C@@H](Cc1ccccc1)n1cc([C@H](N)C(C)(C)C)nn1 656457831 RRACXTAQZJZHSN-RDJZCZTQSA-N 298.434 3.684 30 20 CHED C=CCCn1cc(CN[C@@H]2CCC[C@@H](C(C)C)CC2)nn1 657438804 VHBAGWSQBYNELK-HZPDHXFCSA-N 290.455 3.549 30 20 CHED C=CC[C@@H]1CCCN(CC(=O)Nc2ccccc2Cl)C1 661380004 KNOUXFUQCALNRD-CYBMUJFWSA-N 292.810 3.567 30 20 CHED C=C(CN[C@H](C)c1ccc2nc(O)oc2c1)c1ccccc1 671744007 POIHJVKFSHGHTC-CYBMUJFWSA-N 294.354 3.897 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2occc2s1 683788083 GKJJOONFUWVDKR-JTQLQIEISA-N 261.346 3.675 30 20 CHED CCCCCCCCCC(=O)NC1(C#N)CCC1 711376304 KPWGWLQUYVOCFH-UHFFFAOYSA-N 250.386 3.690 30 20 CHED CCCCCCCNC(=O)Nc1cccc(C(=O)OC)c1 729073536 YSKRTDZTPLPWCM-UHFFFAOYSA-N 292.379 3.565 30 20 CHED Clc1cccc(C=NNCCCc2ccccc2)c1 729148201 RCHRZODUHNVTBX-UHFFFAOYSA-N 272.779 3.896 30 20 CHED CCC/C=C\C(=O)N(Cc1ccc(C#N)cc1)C(C)C 729348840 BDHDNDUGCZYKTD-SREVYHEPSA-N 270.376 3.652 30 20 CHED CC(=NNc1cnnc2ccccc12)c1ccc(C)cc1 733750370 WAXVKFZLYQAPRA-UHFFFAOYSA-N 276.343 3.774 30 20 CHED C=CCCCOC(=O)c1cc2ccc(OC)cc2nc1C 735527611 KIKZGABRTFDSMV-UHFFFAOYSA-N 285.343 3.675 30 20 CHED CCCCCCCCN1CCN([C@H](C#N)C(C)C)CC1 740877161 DMPJWWRCLNFRMQ-QGZVFWFLSA-N 279.472 3.513 30 20 CHED Fc1ccc([C@@H]2CCCC2=NNc2ccccn2)cc1 741161084 GNDYMDQAXWCSBN-AWEZNQCLSA-N 269.323 3.956 30 20 CHED CCO[C@@H]1CC(=NNCCCc2ccccc2)C12CCC2 741164525 OWXUUJSGHAWVHB-QGZVFWFLSA-N 286.419 3.544 30 20 CHED C[C@@H](OC(=O)[C@@H]1CC12CCCC2)c1cccc(C#N)c1 747479205 PHBJDFAORBGRCK-DOMZBBRYSA-N 269.344 3.743 30 20 CHED N#Cc1csc(/C=C2\CCOc3ccccc3C2=O)c1 748440098 GTIGFUBYZCDOCM-XYOKQWHBSA-N 281.336 3.669 30 20 CHED Cc1cc(C#N)ccc1COC(=O)/C=C\c1cccc(F)c1 748907002 SSNVUJWIVJKSSA-VURMDHGXSA-N 295.313 3.762 30 20 CHED CCCCCCCCC(=O)N1CCN(C)c2ncccc21 749464262 DYLCDOUSLICOLP-UHFFFAOYSA-N 289.423 3.615 30 20 CHED C/C(=C\C(=O)N[C@@](C)(C#N)CC(C)C)c1ccc(F)cc1 749615276 MDGQPPGZQSSRTK-JZUUQJBKSA-N 288.366 3.674 30 20 CHED Cc1cc(C(=O)OC[C@H](C#N)Cc2ccccc2)sc1C 750782684 DSUMVZPQRCEUSP-HNNXBMFYSA-N 299.395 3.904 30 20 CHED C=CCCN1CCCCC[C@H]1C[C@@H](O)c1cccs1 750834083 IUKNGNARRPXWDF-LSDHHAIUSA-N 279.449 3.992 30 20 CHED COc1ccc(NN=Cc2ccc(Cl)s2)cc1 750926407 WXYHMVZXWDYCDN-UHFFFAOYSA-N 266.753 3.856 30 20 CHED C[C@H](NN=C1CCCc2cc(O)ccc21)c1ccccc1 750936454 SKSCYFANHIIMEJ-ZDUSSCGKSA-N 280.371 3.783 30 20 CHED CC[C@H](C#N)OC(=O)Cc1ccc(-c2ccccc2)cc1 753413617 NEUDQTAVCVCPPL-QGZVFWFLSA-N 279.339 3.741 30 20 CHED C[C@@H]1CCCC[C@@H]1CNc1ccc(F)cc1OCC#N 753570297 MMSWLJYXTDKESL-CHWSQXEVSA-N 276.355 3.966 30 20 CHED Cn1cc(C=NNc2cccc([N+](=O)[O-])c2)c2ccccc21 755481874 QVLKLADWTPKCDM-UHFFFAOYSA-N 294.314 3.533 30 20 CHED Cc1ccnc(NN=C[C@H]2C[C@H]2c2ccccc2)c1 755771767 YUPKXHBLDXTOAK-CABCVRRESA-N 251.333 3.591 30 20 CHED C[C@H]1CCC(=NO[C@@H]2CCCCO2)c2ccccc21 755813077 CAUNYRVFPXGICF-BLLLJJGKSA-N 259.349 3.831 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccccc1Br 755820575 WXPBPHUHGOFIAB-CYBMUJFWSA-N 298.180 3.716 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1cccc(F)c1)OCC 756474014 VUMJTXUXTXIXGB-SWLSCSKDSA-N 280.339 3.801 30 20 CHED CCC[C@H](C)CC(=O)OCc1ccc(F)c(C#N)c1 758942772 NRSZDOBCWYGGPK-NSHDSACASA-N 263.312 3.567 30 20 CHED CC#CCCOC(=O)c1cc(Cl)ccc1Cl 760284365 OTTSVUWALHPPOB-UHFFFAOYSA-N 257.116 3.564 30 20 CHED CC#CCCOC(=O)C(C)(C)c1cccc(Cl)c1 760296106 SMDSTZLLDDHNPX-UHFFFAOYSA-N 264.752 3.574 30 20 CHED Fc1cc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)cc(F)c1F 762424790 UEKFLQWEUPOBLP-LPEHRKFASA-N 268.282 3.938 30 20 CHED CCC[C@H](C(=O)OCc1ccc(F)cc1C#N)C(C)C 763846865 DSZMOLRCDUFYSL-HNNXBMFYSA-N 277.339 3.813 30 20 CHED CCC(=NNc1ccccc1)c1ccc(O)c(F)c1 764638964 CDFBKJYHFGCXOK-UHFFFAOYSA-N 258.296 3.758 30 20 CHED CC[C@H]1CCCC(=NNCCc2ccccc2F)C1 764723649 QYPJVPUYPSMAJH-ZDUSSCGKSA-N 262.372 3.914 30 20 CHED Cc1cc(OC(=O)/C=C/c2ccc(Cl)nc2)ccc1C#N 765096608 ZQTXJWHXSQAWQU-XVNBXDOJSA-N 298.729 3.534 30 20 CHED C#CCCCN[C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 766234648 ZTTHKNSHLFNTKC-NVXWUHKLSA-N 289.394 3.864 30 20 CHED C[C@H]1CC(=NNc2ncnc3ccsc23)CC[C@H]1C 767387396 HUKWTPQMVXHXIB-ZJUUUORDSA-N 274.393 3.915 30 20 CHED CC#CCCCC(=O)OCC(=O)c1oc2ccccc2c1C 767671420 HEOBQHBCEGTMJM-UHFFFAOYSA-N 298.338 3.661 30 20 CHED COc1ccc(NCc2ccc(C#N)c(C)c2)cc1F 767679515 ADEDVHOUYSRHCX-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@H]1CCc2c(C(=O)OCC3(C#N)CCC3)csc2C1 768095800 AHNZTBNMZYFBJM-NSHDSACASA-N 289.400 3.724 30 20 CHED C#CCN(Cc1c(C)nn(CCC)c1C)C1CCCCC1 769145653 LSAPXZAFSVDNKM-UHFFFAOYSA-N 287.451 3.678 30 20 CHED C=C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 769336959 AIQWRXJABNTHMV-UHFFFAOYSA-N 270.420 3.829 30 20 CHED C=C(CC)COC(=O)C1CCC(C(F)(F)F)CC1 769443692 ZSBIZOOFTRABGF-UHFFFAOYSA-N 264.287 3.865 30 20 CHED C#CC[C@H](NC(=O)C[C@H]1CCC[C@@H]1C)c1ccccc1 769454066 UISWSCQVHIWBAL-UAGQMJEPSA-N 269.388 3.694 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1csc(C2CC2)n1 773126642 VSFJXFSEUBSTOH-ZDUSSCGKSA-N 277.437 3.913 30 20 CHED C=C(CC)CN(CC(C)C)C[C@H](O)c1ccc(F)cc1 773428228 YAPHVNSDXZAVEA-KRWDZBQOSA-N 279.399 3.783 30 20 CHED C=C(CC)COC(=O)[C@@](C)(CCC)NC(=O)OC(C)(C)C 773507832 VNWYJBNUFXXDNN-MRXNPFEDSA-N 299.411 3.579 30 20 CHED C=CCCCCCN(C)C(=S)NC(C)(C)CC 774181504 CJJCTDCTHODVMR-UHFFFAOYSA-N 256.459 3.728 30 20 CHED C=C(C)CNC(=S)Nc1cccc(SC)c1C 774579289 VCVPEZMBDAWTIJ-UHFFFAOYSA-N 266.435 3.579 30 20 CHED CC[C@@H](NCCCCC#N)c1cc(Cl)ccc1O 775498213 IWNPJPTZDIPFSH-CYBMUJFWSA-N 266.772 3.780 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@H](C)[C@H](O)C1 775556919 WGDHPLCAAUNSNI-HRCADAONSA-N 283.456 3.602 30 20 CHED CC[C@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 776111136 ASAAXUMNCLGTAS-SFHVURJKSA-N 293.366 3.990 30 20 CHED CS[C@@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 776384962 BJTINSQAZODAJP-CYBMUJFWSA-N 277.389 3.574 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)cc1 777911495 MAFKYUOCPQIFMD-VURMDHGXSA-N 296.257 3.502 30 20 CHED C=CCN(C)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 779126529 ZZZOUNHMNLCTHC-UHFFFAOYSA-N 256.349 3.549 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2c[nH]c(C#N)c2)cc1 779212562 KUCLBSZHAFLYOZ-DLBZAZTESA-N 294.354 3.688 30 20 CHED C#Cc1cccc(NC(=O)N2CCC(C)(C(C)C)CC2)c1 779393212 QNAGDSPGOKBJJK-UHFFFAOYSA-N 284.403 3.958 30 20 CHED C#CCCCCCC(=O)N[C@H](C)Cc1ccccc1C 779855309 ACEIIQDLAGOKFL-MRXNPFEDSA-N 271.404 3.626 30 20 CHED CCOc1ccc(C=Nc2ccc(F)c(OC)c2)c(O)c1 780148062 DLTJHKKWEDXFLH-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N(C)C[C@H](C)C#N 780449076 SXRIGVMYFIBPCS-UKRRQHHQSA-N 252.402 3.601 30 20 CHED CC(CCCCN(C)C)=NNc1ccc(OC(F)F)cc1 781123093 VSBQONLYEUYALN-UHFFFAOYSA-N 299.365 3.808 30 20 CHED C=CCCCC(=O)O[C@H](C)c1ccc(Cl)cn1 781706199 ZVVXVHPPWNVWBL-SNVBAGLBSA-N 253.729 3.696 30 20 CHED Cc1ccc(-c2ccc(C(=O)OCC3(C#N)CC3)s2)o1 781745550 IVADHIAFYGSTTN-UHFFFAOYSA-N 287.340 3.777 30 20 CHED C#CCCCN1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 781947404 JSDYUPJKKOUBLH-XJKSGUPXSA-N 277.795 3.515 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(C#N)cn1 782028320 ACWKDGHZNBXNEO-INIZCTEOSA-N 299.418 3.566 30 20 CHED Cc1ccnc(NN=Cc2c(C)[nH]c3ccc(F)cc23)c1 782230037 WYCCMMXBCCAKBF-UHFFFAOYSA-N 282.322 3.765 30 20 CHED O=C1/C(=C\c2ccc3cnccc3c2)Oc2cc(F)ccc21 782356329 XWFHISCWJSTGTA-CAOOACKPSA-N 291.281 3.990 30 20 CHED C[C@@H](OC(=O)/C=C/c1ccc(O)cc1)c1ccc(C#N)cc1 782439269 HWXIODPEZDGOOK-ASJRZHAZSA-N 293.322 3.581 30 20 CHED C=CCCN(CCC(F)(F)F)OCc1ccccc1 782664484 JJEOAPVDXSRXQN-UHFFFAOYSA-N 273.298 3.949 30 20 CHED COc1cc(F)c(C(C)=NNCCC(C)(C)C)cc1OC 782906515 ADXUAPYSMGICPJ-UHFFFAOYSA-N 296.386 3.593 30 20 CHED CCCCCCCCOCC(=O)NC12CCC(CC1)C2 784352921 OFZQWMMWNLOIQK-UHFFFAOYSA-N 281.440 3.812 30 20 CHED C=CCCCCCOC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C 784844762 KRKIDAJSOSTZDC-UONOGXRCSA-N 280.408 3.917 30 20 CHED CCc1ccccc1CC(=O)OCc1cc(C#N)ccc1F 785831076 GKDCCLNDXBPPHM-UHFFFAOYSA-N 297.329 3.546 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cc(Cl)sc1Cl 788030325 MQQFOTIZGRBSNJ-QMMMGPOBSA-N 294.203 3.832 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2C[C@H]2c2cccc(F)c2)c1 788318073 MWFMTXNHSBYDMB-OUOTWVDCSA-N 285.318 3.515 30 20 CHED CC(C)Sc1cccc(Cl)c1C=NN[C@@H]1CCOC1 788440512 VESNOXRGRBBEHF-LLVKDONJSA-N 298.839 3.553 30 20 CHED CC(C)=CCC/N=C/c1cc2ccccc2nc1O 790101611 RWDXCHDVMWSADU-GZTJUZNOSA-N 254.333 3.716 30 20 CHED CC[C@H](C)NN=Cc1cc(Cl)cc(Cl)c1OC 790183505 TUMLXZKHOXNNJT-QMMMGPOBSA-N 275.179 3.724 30 20 CHED CC[C@H](C)NN=Cc1ccc(Cl)c2cccnc12 790186869 CHEVIKXEZLOFLD-JTQLQIEISA-N 261.756 3.610 30 20 CHED C=CCN(C(=O)CCc1cnc2ccccc2c1)C(C)C 791508019 JWNYPKSLZHUTDA-UHFFFAOYSA-N 282.387 3.590 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C\CCC 792529525 CEGQRIOGIWGKBV-GHXNOFRVSA-N 257.377 3.948 30 20 CHED CC[C@H](C)CON=CC1CCN(C(=O)OC(C)(C)C)CC1 793143858 APXQDFCZRKZRPS-ZDUSSCGKSA-N 298.427 3.682 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCN2CCC[C@@H]2C1 793521292 JXRQXXDCZGWVMU-GVDBMIGSSA-N 264.457 3.728 30 20 CHED Fc1ccc(NN=C[C@@H]2CCCSC2)c(F)c1 794856358 IWXADUYGNBOWAX-VIFPVBQESA-N 256.321 3.506 30 20 CHED Cc1ccc(NN=CC2CCC(C(C)C)CC2)nn1 794908680 ILJZJAQIHCZWIU-UHFFFAOYSA-N 260.385 3.645 30 20 CHED COCCN(C)N=Cc1ccc(-c2ccccc2Cl)o1 794974671 OOLATXQYZMANCC-UHFFFAOYSA-N 292.766 3.512 30 20 CHED N#CC[C@H](CC(=O)OC1CCCC1)c1ccccc1 795986253 PSVBJYPEWLFVNU-CQSZACIVSA-N 257.333 3.560 30 20 CHED CC1=C(C)CN(Cc2ccc(N(C)CCC#N)cc2)CC1 796018499 PYTKUIDSGNCVRV-UHFFFAOYSA-N 283.419 3.579 30 20 CHED C=CCCCOC(=O)[C@@H](C)[C@H]1OCCc2sccc21 796494217 LXPYWXXURMJCMR-SMDDNHRTSA-N 280.389 3.507 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C(\C)C(C)(C)C 797172530 OCPHGQMZYFXJIJ-FMIVXFBMSA-N 285.391 3.921 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C\c1ccc(Cl)cc1 798554249 NFOLAHOERPPCAY-KOTGUFOOSA-N 263.768 3.824 30 20 CHED COc1ccccc1CON=Cc1cc(C)n(C2CC2)c1C 799118770 UIPYSRHSLJINSY-UHFFFAOYSA-N 298.386 3.999 30 20 CHED Cc1ccc(C(=O)N2CCC(C3CCCC3)CC2)cc1C#N 799343543 IZDNYSYYWLPGKD-UHFFFAOYSA-N 296.414 3.909 30 20 CHED CC1(C)CCC[C@H]1OC(=O)c1cc2ccccc2n1CC#N 799484734 CGAJGUOUADHWJA-MRXNPFEDSA-N 296.370 3.900 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cc(F)c(N3CCCC3)c(F)c2)C1 799721635 PCIOFYBLHAXSEX-NEPJUHHUSA-N 291.345 3.669 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(N3CCCC3)c(F)c2)n1 804360759 OZCATOONKNGTGY-UHFFFAOYSA-N 296.349 3.745 30 20 CHED C=C(Cl)COC(=O)/C=C\Sc1ccccc1 805164183 MRJGZSALMLIPTQ-FPLPWBNLSA-N 254.738 3.588 30 20 CHED C#Cc1cccc(NC(=O)NCC(=C)c2ccccc2)c1 806183090 LTCFPZSJSXNJMB-UHFFFAOYSA-N 276.339 3.503 30 20 CHED CCCC[C@H](C)C(C)=NNc1ccc([N+](=O)[O-])cn1 807964000 STVZJGXMQBUALO-JTQLQIEISA-N 264.329 3.604 30 20 CHED N#CCCCCCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 808358382 JEOPXJBGRUWLIX-UHFFFAOYSA-N 295.726 3.661 30 20 CHED C#C[C@@H](NCc1ncc(-c2ccccc2)s1)C(C)C 809685586 CHXMLIAZYBGJPD-CQSZACIVSA-N 270.401 3.558 30 20 CHED C#C[C@@H](NC1CC(C(F)F)C1)c1ccc(Cl)cc1 811517467 TVOJVDOTBKOYND-KGPNIALWSA-N 269.722 3.648 30 20 CHED CC(C)[C@H]1CCCC(=NNC[C@@H]2CCSC2)C1 811658366 JGRONSCLKUKTOE-STQMWFEESA-N 254.443 3.531 30 20 CHED CC(C)Oc1ccc(C=NOC/C=C/Cl)cc1 811668078 AQWYBECMBQSERN-QVTWJKLESA-N 253.729 3.577 30 20 CHED CC(C)c1nc(C=NOC/C=C/Cl)c2ccccn12 811671719 KDRQLOKNKCYQMS-PJEOCDJNSA-N 277.755 3.561 30 20 CHED COCc1cccc(/C=C2/Cc3ccc(C#N)cc3C2=O)c1 811694472 QZGGNSVGLNOZST-IUXPMGMMSA-N 289.334 3.527 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cn(C)nc1C(F)F 812226650 QTLYEOQPLXQWSK-LLVKDONJSA-N 286.370 3.640 30 20 CHED N#CCCCC(=O)OCCc1ccc2ccccc2c1 812617126 DVDFJWFSDKJWGS-UHFFFAOYSA-N 267.328 3.619 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)C1CCN(C)CC1 814882153 HNVRPKGEGYJLCF-UHFFFAOYSA-N 299.340 3.835 30 20 CHED CCCc1ccc(COC(=O)c2ncc(C#N)cc2C)cc1 815339138 BITDDKBLAPKQKS-UHFFFAOYSA-N 294.354 3.571 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@H]2C[C@@H]2C2CC2)s1 816067900 CWVFKJBKBDHKFS-WOPDTQHZSA-N 288.416 3.663 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C=C1CCCC1 819737421 XRIBGYZXOZSFSP-ZDUSSCGKSA-N 268.360 3.578 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)OCc1ccc(CC#N)cc1 835273188 HTQBWHVTLWWPRJ-HZPDHXFCSA-N 271.360 3.622 30 20 CHED C=CCC(C)(C)COC(=O)c1cccc(C(F)(F)F)n1 835462123 FKDRAXOAMCKBIE-UHFFFAOYSA-N 287.281 3.860 30 20 CHED C#CCCCCNC(=O)Nc1cc(C)c(C)cc1Cl 836713510 WQFXWLPUWQYMAW-UHFFFAOYSA-N 278.783 3.882 30 20 CHED O=C(C#CC1CC1)Nc1cccc(CCC(F)(F)F)c1 837462474 QGKPKHUQLBMICL-UHFFFAOYSA-N 281.277 3.533 30 20 CHED C[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(C#N)c1 837901770 GVHNDBNBOZHDLJ-FZKQIMNGSA-N 294.354 3.637 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](CCC)C1CCCC1 838327333 HJZRYKYJLWVAQM-GFCCVEGCSA-N 259.340 3.673 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(Cl)c2)C1 839044196 PQHWCYXHUPTIGB-ZWNOBZJWSA-N 263.724 3.579 30 20 CHED CC1(CC(=O)Nc2cc3ccccc3cc2C#N)CC1 839438428 XWDSXXAWNUNRLT-UHFFFAOYSA-N 264.328 3.840 30 20 CHED C#CC[C@H](Nc1ncc2c(n1)CCCC2)c1ccccc1 840276752 FUMGHVLIYUROLG-INIZCTEOSA-N 277.371 3.532 30 20 CHED C[C@@H]1C[C@H](NCC(C)(C)CC#N)c2c(O)ccc(F)c21 840787121 IFRRZLOGVFRCRB-PWSUYJOCSA-N 276.355 3.609 30 20 CHED CC[C@H](CC(=O)Nc1nc(Cl)c(C#N)s1)C(C)C 841224647 BUDDLEFLKGXBSV-MRVPVSSYSA-N 285.800 3.679 30 20 CHED C#C[C@@H](OC(=O)[C@@H](CCC)OC)c1ccc(Cl)cc1F 842351855 AWYMXJDNGDVPIA-ZIAGYGMSSA-N 298.741 3.512 30 20 CHED C#C[C@@H](OC(=O)CSC1CC1)c1ccc(Cl)cc1F 842354307 XJMOMKANSPTHON-CYBMUJFWSA-N 298.766 3.592 30 20 CHED C=CCC1(C(=O)O[C@@H]2C[C@@H](C)C(=O)C(C)(C)C2)CCC1 847937565 AWAKPOGVFAPJLB-CHWSQXEVSA-N 278.392 3.670 30 20 CHED CCCCCC(C)=NNc1ccc(CC(=O)O)cc1 848415238 KGPNFZVLGWSBSE-UHFFFAOYSA-N 262.353 3.682 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@](C)(O)c1ccsc1 850436259 IOBVXCJSMTYNTP-KBMXLJTQSA-N 279.449 3.680 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)n1 851740086 SYPITTYPLXKWKI-UHFFFAOYSA-N 297.377 3.751 30 20 CHED C#Cc1cccnc1N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 853356857 ZJWZUHDQBCJTIV-BBRMVZONSA-N 280.346 3.584 30 20 CHED CCCn1nc(C)c(C=NNc2ccc(C)c(F)c2)c1C 853438470 CKKXNKVPZSESBT-UHFFFAOYSA-N 288.370 3.803 30 20 CHED Clc1nc(N2CCCC2)sc1C=NOCC1CCC1 853439690 OSCLAUFDEOMORA-UHFFFAOYSA-N 299.827 3.547 30 20 CHED Cc1ccccc1-c1noc([C@@H](C)ON=CC2CC2)n1 853735476 VHOZKRXMAFNROI-LLVKDONJSA-N 271.320 3.518 30 20 CHED Cc1cc(N2CCCCCC2)ccc1NC(=O)C#CC(C)C 854419016 KHEWHEILSARFMD-UHFFFAOYSA-N 298.430 3.973 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H]2C[C@@H]2C1 856058267 HBXLQVZYYCDINV-LSDHHAIUSA-N 251.414 3.996 30 20 CHED CCN(C(=O)/C(C)=C\c1ccccc1Cl)[C@H](C)C#N 856074802 CYROSMRUUOUKEU-UCQJPZFISA-N 276.767 3.504 30 20 CHED CCO[C@@H]1CC(=NNc2ncc(Cl)cn2)C1(CC)CC 857223515 SXHQWTBXRWHWKQ-GFCCVEGCSA-N 296.802 3.513 30 20 CHED C#CCC1(C(=O)Nc2cccc(OC)c2C)CCCCC1 862776891 ULIMBHCKGQDEKD-UHFFFAOYSA-N 285.387 3.916 30 20 CHED CCn1nc(C)c(C=NNc2ccc(F)c(Cl)c2)c1C 863178706 BKRRWHRSIRQUNO-UHFFFAOYSA-N 294.761 3.758 30 20 CHED CC(CCn1cccn1)=NNc1nc2c(C)cccc2s1 872419498 JTGOWNMGJFUJSB-UHFFFAOYSA-N 299.403 3.679 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1ccc(C(C)=O)cc1 876465556 SGFBEUDJIYPRDI-UHFFFAOYSA-N 271.360 3.620 30 20 CHED COc1ccc(NC[C@@H](C)CCC#N)cc1SC 877584799 ZAUAXGQQGVLUSE-NSHDSACASA-N 264.394 3.769 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1c(F)cc(Cl)cc1F 879106772 BMBMDOFUONBXRE-ZDUSSCGKSA-N 286.709 3.542 30 20 CHED C=CC(C)(C)CC(=O)OCc1nc(C2CC2)cs1 884650106 YWVOAXWASKJVME-UHFFFAOYSA-N 265.378 3.666 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2OC(F)F)CC1 887630306 JONSAFAUDNAKJT-UHFFFAOYSA-N 281.302 3.973 30 20 CHED C#CCSCC(=O)Nc1c(CC)ccc(Cl)c1CC 887650695 NTRFDTYEKNGCAB-UHFFFAOYSA-N 295.835 3.770 30 20 CHED C=CC(C)(C)CC(=O)NCCC1CCC(F)(F)CC1 890054402 IAIATCYLGFEMSS-UHFFFAOYSA-N 273.367 3.921 30 20 CHED C=CC1(OC(=O)c2oc(-c3ccccc3)nc2C)CC1 893363967 JFXFBWTVGVOJRS-UHFFFAOYSA-N 269.300 3.525 30 20 CHED C=C[C@@](C)(CC)c1nc(C2(CCOC)CCCC2)no1 896627973 PKHXFNNPXIYFIF-HNNXBMFYSA-N 278.396 3.772 30 20 CHED O=C(C[C@@H]1CCc2ccccc21)N(O)Cc1ccc(F)cc1 900094019 GBRULNKHPICBSF-HNNXBMFYSA-N 299.345 3.664 30 20 CHED N#CC1(CCCCSc2nncn2C2CC2)CCC1 901442200 CBDAPCRRDZFYTC-UHFFFAOYSA-N 276.409 3.569 30 20 CHED C=CCC1(CN[C@@H]2CC[C@@H](C(=O)O)[C@@H](C)C2)CCCC1 902271022 YMMODOJRZFWEHN-RRFJBIMHSA-N 279.424 3.602 30 20 CHED CC[C@H](N[C@@H]1COCc2ccccc21)c1cccc(C#N)c1 903025893 VPYKSQGTRGOZJA-RBUKOAKNSA-N 292.382 3.870 30 20 CHED CC[C@@H](NCCCc1ccco1)c1cccc(C#N)c1 903055840 CSVOPHYCYXJTBF-QGZVFWFLSA-N 268.360 3.825 30 20 CHED N#CCc1cc(-c2cccc3c2OCCCO3)cs1 904807394 ZBRDEVOISKHYKR-UHFFFAOYSA-N 271.341 3.642 30 20 CHED C=C(Cl)COC(=O)c1nc(-c2ccco2)sc1C 913309707 WCQMXGGFWBRRPJ-UHFFFAOYSA-N 283.736 3.621 30 20 CHED Cc1ccc(C=NNC(=S)Nc2ccccc2C)cc1 915920268 BJOFDEIWANOEMI-UHFFFAOYSA-N 283.400 3.624 30 20 CHED COc1cccc2cc(C(=O)/C=C\c3c(C)n[nH]c3C)oc12 915985102 IKAMOLWBPOMWSW-FPLPWBNLSA-N 296.326 3.677 30 20 CHED COc1ccc(C(C)=NNc2ccccc2)cc1F 917563110 FNNULHVMVOUOOS-UHFFFAOYSA-N 258.296 3.670 30 20 CHED CC(C)C[C@H](C)OC(=O)/C=C\c1ccccc1C#N 920127676 AUWXOYFTFUBYPD-YXVBKTCISA-N 257.333 3.549 30 20 CHED Cc1ccc(Cl)cc1N=Cc1cccc(O)c1O 920942967 ITWJZJQSRMDAFG-UHFFFAOYSA-N 261.708 3.810 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H]1Cc1ccccc1 925468071 YNTREXPCZINQSV-BMFZPTHFSA-N 256.393 3.536 30 20 CHED CC[C@H](C)n1ncc(N[C@H](C)CC(C)(C)C#N)c1C 926274966 DKQCFJDMXYJVKO-NEPJUHHUSA-N 262.401 3.903 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H](C)c1ccc(OC)cc1 929764957 ZWMQTYWCFDADNZ-ZIAGYGMSSA-N 275.392 3.817 30 20 CHED CCc1nc(C#N)cc(N[C@@H](CC)c2ccc(F)cc2)n1 1118593374 SBJPUQKHAWUPRL-AWEZNQCLSA-N 284.338 3.613 30 20 CHED CCCC[C@@H](C(=O)[C@H](C#N)c1nccn1CC)C(C)C 1123336841 LWQKBPZNASHTHY-KGLIPLIRSA-N 275.396 3.542 30 20 CHED CCSc1cccnc1C(=O)Nc1cccc(CC#N)c1 1129089377 MQHVUFNNRPMONT-UHFFFAOYSA-N 297.383 3.512 30 20 CHED N#Cc1cccc(OCCN2CCCc3cccc(F)c32)c1 1168034725 LSZDMRWVRQNWLX-UHFFFAOYSA-N 296.345 3.529 30 20 CHED C[C@H]1CC[C@H](CNc2nc(C#N)c(Cl)s2)C1 1186341774 AQOFITZNNFUZKL-YUMQZZPRSA-N 255.774 3.516 30 20 CHED CCCC[C@@H](CC)CCCN(C)c1cc(C#N)ncn1 1187091869 URASZIKFFMPMRN-CQSZACIVSA-N 274.412 3.781 30 20 CHED Cc1cc(N[C@H](C)c2c(F)cccc2F)ncc1C#N 1187669389 FQCYXHQDVOBJJB-SNVBAGLBSA-N 273.286 3.713 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1cccc(C#N)c1 1197550130 OAVGMTFPSBEUMI-MLGOLLRUSA-N 271.364 3.649 30 20 CHED C[C@@H]1CC(=NNc2ccc(C(C)(C)C)nn2)C[C@@H](C)C1 1253411534 KSLNBFYPPWHTOJ-RYUDHWBXSA-N 274.412 3.998 30 20 CHED C=C[C@@H](Cc1nnc(-c2ccccn2)o1)c1ccccc1 1257651837 DETKLKOPUSYKSU-ZDUSSCGKSA-N 277.327 3.644 30 20 CHED CCC[C@@H](C(=O)O[C@H](CC#N)c1ccco1)C(C)C 1263660564 JMHDASHOZXOJCZ-TZMCWYRMSA-N 263.337 3.850 30 20 CHED CCC[C@H](NC(=O)c1cccc(C#N)c1C)c1ccccn1 1321729988 PREDQWASXRVXAJ-KRWDZBQOSA-N 293.370 3.533 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@]1(C)CC(C)C 1324549019 MTBVANYGWURPTR-CYBMUJFWSA-N 259.340 3.625 30 20 CHED N#Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cs1 1325110907 ISWONYXXTGUQGY-MBNYWOFBSA-N 288.416 3.708 30 20 CHED Cc1ncc(COc2nc(C(C)(C)C)ccc2C#N)s1 1331909897 KENMCJKFPREJSY-UHFFFAOYSA-N 287.388 3.595 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)CCCCCC#N 1337362350 DQCXXMJWKMJNLQ-UHFFFAOYSA-N 278.783 3.739 30 20 CHED C=CCC[C@H]1CCCN1C(=O)/C=C\c1ccc(Cl)nc1 1337487821 GZKWFACXPJOEEM-GDAGCXPBSA-N 290.794 3.705 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 1338852964 UAHCPQPSMCYOHD-HOCLYGCPSA-N 257.377 3.747 30 20 CHED COc1ccc(C#N)cc1CSCc1cc(C)ccn1 1338918644 HLWVHOMHISLNRI-UHFFFAOYSA-N 284.384 3.704 30 20 CHED Cc1ccc(NN=Cc2cnccc2N(C)C)cc1Cl 1341802319 KJHXDGMIUSMODL-UHFFFAOYSA-N 288.782 3.555 30 20 CHED C=CCSc1ccccc1C(=O)NC/C=C\C1CC1 1344011479 HZRMQVLOLFUYMT-WAYWQWQTSA-N 273.401 3.661 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@]23CCC[C@@H]2C3)n1 1344342735 MDVNQQHYTHLPFD-JRPNMDOOSA-N 274.389 3.633 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCCCc1ccsc1 1345264276 LZACULSMSBOYJA-UHFFFAOYSA-N 299.399 3.683 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](F)CC 1346352474 GZFSPWXTEDJAOU-SNVBAGLBSA-N 275.776 3.664 30 20 CHED C[C@@H](OC1CCCCC1)C(=O)O[C@H](CC#N)c1ccco1 1347948483 IGWQNKCSJUPPJO-IUODEOHRSA-N 291.347 3.515 30 20 CHED C[C@H](CC1CCCC1)C(=O)O[C@@H](CC#N)c1ccco1 1350311373 JZIIJPJNXOGNLT-DOMZBBRYSA-N 275.348 3.994 30 20 CHED CC(C)[C@H](CNc1cccc(C#N)n1)Cc1ccccc1 1472761486 BOHVCFHNSFSWKO-INIZCTEOSA-N 279.387 3.880 30 20 CHED C[C@@H](OC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 1518209610 AFJBJNYNUHLPCH-VNVHMNPZSA-N 283.371 3.989 30 20 CHED CCn1nc(C(C)C)cc1C(=O)O[C@H](C)CC(C)(C)C#N 1519257541 YIPYBCYCWBRWFN-GFCCVEGCSA-N 291.395 3.512 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)C1=COCCC1)c1cccs1 1519363011 DPNALOYRFAKAOM-BXUZGUMPSA-N 291.372 3.576 30 20 CHED C=C[C@H](C(=O)N1CCC[C@H]1c1cccn1C)c1ccccc1 1520753912 RDZOGHHSGSKVQH-WMZOPIPTSA-N 294.398 3.658 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@@H]2CSc3ccccc32)c1 1531985673 XLVJOMXNCKWJDX-CQSZACIVSA-N 298.342 3.525 30 20 CHED CCc1ccc(F)cc1C(=O)N(C)c1ccccc1C#N 1533821112 BVVNCOOUZJHHDK-UHFFFAOYSA-N 282.318 3.536 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 1536303302 AXLZPDMEZHKVOZ-DGCLKSJQSA-N 290.794 3.768 30 20 CHED C[C@H](Nc1ccc(Cl)c(C#N)n1)[C@@H]1C[C@H]2CC[C@H]1C2 1559063548 YPNQFIBKJIZDTP-BJDJZHNGSA-N 275.783 3.843 30 20 CHED C=CCC[C@@H](NCc1ccc(C(=O)O)n1C)c1ccccc1 1588779436 YAWFNTFSGCBQHQ-MRXNPFEDSA-N 298.386 3.520 30 20 CHED Cc1nsc(N[C@@H]2Cc3ccc(Cl)cc3C2)c1C#N 1643291329 JQMAYOVSEVYJFS-GFCCVEGCSA-N 289.791 3.556 30 20 CHED N#Cc1cccnc1NCC1(c2cccc(F)c2)CCC1 1651398509 PNTMKCGEAPQDCS-UHFFFAOYSA-N 281.334 3.626 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)[C@H]1CC1(C)C 1653107353 QJEBRHUZNPBQEM-UKRRQHHQSA-N 260.356 3.612 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2ccccc2C(=O)O)C1 1776030571 PWGAVWHZIJUIFQ-STQMWFEESA-N 274.364 3.999 30 20 CHED C=CCCCCC(C)=NNc1ccccc1C(=O)O 1776030602 VOSACHSLIMSSCV-UHFFFAOYSA-N 260.337 3.919 30 20 CHED O=C(O)Cc1ccc(NN=C[C@@H]2C[C@H]2c2ccccc2)cc1 1776084670 HRDAKVRRTZHNSE-RDJZCZTQSA-N 294.354 3.515 30 20 CHED C=CCC1(C(=O)O)CCN(CC2C[C@@H](C)C[C@H](C)C2)CC1 1776158505 UPWDIVZMNJOWDI-GJZGRUSLSA-N 293.451 3.802 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@H](CC)CCCC)CC1 1776159461 VIDFSWPACYEMHZ-OAHLLOKOSA-N 281.440 3.946 30 20 CHED C=CCN(CC1CCCCC1)c1ccc(C(=O)O)c(C)n1 1776177519 SFPAJWVPNSBZTL-UHFFFAOYSA-N 288.391 3.661 30 20 CHED CCc1cccc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 7240920 GJRMPHACFORPKA-CYBMUJFWSA-N 293.370 3.560 30 20 CHED Cc1ccc2nc(NC(=O)C3(C#N)CCCC3)sc2c1 29852047 RWZXFRWCMXTEEW-UHFFFAOYSA-N 285.372 3.627 30 20 CHED CC[C@@H]1CCCCN1CCCOc1cccc(C#N)c1 34674505 DKVXTQMRSSXYND-MRXNPFEDSA-N 272.392 3.592 30 20 CHED CC(C)CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 37131450 LLRLYSPQARZIBU-NSHDSACASA-N 261.325 3.703 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 37748256 AJIJYFOVVCLUKR-QGZVFWFLSA-N 250.345 3.799 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)c1cccc(Br)c1 38012419 BSGFRRXTEIGWNO-GWCFXTLKSA-N 281.197 3.792 30 20 CHED Cc1nn(-c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1C 40729911 DQINIOUEPHLEHV-UHFFFAOYSA-N 279.265 3.688 30 20 CHED Cc1cc(C)c(C#N)c(N(C)Cc2ccccc2Cl)n1 42293803 QSALAPAKZZTHTH-UHFFFAOYSA-N 285.778 3.860 30 20 CHED N#Cc1cc(Cl)ccc1NCc1cccc2c1OCO2 52857605 OTPPIZCAPIQPJZ-UHFFFAOYSA-N 286.718 3.552 30 20 CHED C=C(C)COc1cc(CNC(C)(C)C)ccc1OC 57961130 XIFUDXTXJFTQAX-UHFFFAOYSA-N 263.381 3.538 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 57989459 DTPJEWXPALLLGK-XJKSGUPXSA-N 299.370 3.711 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1ccccc1O 64539678 PSRVYCAIOIMQNY-SOFGYWHQSA-N 260.239 3.567 30 20 CHED CCO[C@@H](CCNc1snc(Cl)c1C#N)C(C)C 74772295 MZICCLDUNXLLQL-JTQLQIEISA-N 287.816 3.531 30 20 CHED CC[C@H](C)c1ccccc1OC(=O)c1ccc(C#N)c(C)n1 75719954 MGFSCYZAYGZHQI-LBPRGKRZSA-N 294.354 3.994 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(CC#N)cc2)C1 76083605 BBGKIAFSEAJWGG-CZUORRHYSA-N 285.391 3.795 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 78256637 ZTGSYEYBRASZML-XJKSGUPXSA-N 270.376 3.710 30 20 CHED C=CCCC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 78481092 DOJMAGWHSRETQS-IRXDYDNUSA-N 271.404 3.870 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)oc1C 79183539 HZABQLOEXKZBDE-UHFFFAOYSA-N 299.370 3.733 30 20 CHED N#Cc1csc(C(=O)Nc2ccccc2OCC2CC2)c1 84113262 FBMOETCYRUZGAV-UHFFFAOYSA-N 298.367 3.661 30 20 CHED CC(C)c1ccc(S(=O)(=O)CCC(C)(C)C#N)cc1 87611031 YGOUNUUFMZWHQH-UHFFFAOYSA-N 279.405 3.524 30 20 CHED CCCN(CC#N)Cc1ccc(-c2ccncc2)cc1F 92398042 OEZLHHIPCHYQMM-UHFFFAOYSA-N 283.350 3.623 30 20 CHED N#CCN(Cc1ccc(OC(F)F)c(F)c1)C1CCCC1 93563131 IIQZKUAYVGXVCX-UHFFFAOYSA-N 298.308 3.695 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 94592076 GBVUTGRAOIBVGB-GHMZBOCLSA-N 261.325 3.703 30 20 CHED C=CCCC(=O)N1CCC(c2ccccc2C)CC1 106661739 NTHGQHVNFGBVAX-UHFFFAOYSA-N 257.377 3.667 30 20 CHED C=CC1CCN(C(=O)C[C@H](CC)c2ccccc2)CC1 110359950 ZJHVKHUOVRBSRR-INIZCTEOSA-N 271.404 3.995 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)CC1CC1 112722906 YIVCEWHKOZQCQC-HNNXBMFYSA-N 286.419 3.615 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1ccccc1OC(F)F 119908586 BSPKNXWKTWSBBL-JXMROGBWSA-N 290.265 3.890 30 20 CHED CCCCCCCC(=O)NCc1ccccc1[N+](=O)[O-] 125870304 HGOUVUFGSIBWTJ-UHFFFAOYSA-N 278.352 3.572 30 20 CHED CCOc1ccccc1-c1nnc(S[C@@H](C#N)CC)o1 127258189 IGWUNRCLKIYENK-SNVBAGLBSA-N 289.360 3.530 30 20 CHED COc1ccc(C#N)cc1COc1ccccc1Cl 129264933 LGRPAEMFVSLXOE-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(SC)c(F)c1 129780112 HFPKERLQGLABGF-SECBINFHSA-N 259.777 3.951 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)C1CCC1 130603325 FGNMAOPRNPHKPG-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C[C@H]1C[C@H](c2ccc(F)cc2)CN1CCC(C)(C)C#N 131651644 CCLYSGISJZDVAS-ZFWWWQNUSA-N 274.383 3.943 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H](CC)SC)c1C#N 133124324 YGONTTHXLRTHNB-LLVKDONJSA-N 282.434 3.571 30 20 CHED C=CCS[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C 134027814 OJJJDKSZZOASNY-QWHCGFSZSA-N 275.417 3.662 30 20 CHED Cc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc(C)c1F 134262673 VBBOGOITKOCXPC-CYBMUJFWSA-N 296.345 3.805 30 20 CHED C=C[C@H](CC(=O)N(C)c1c(C)noc1C)c1ccccc1 137058421 XNIHUMUFMBTZSC-CQSZACIVSA-N 284.359 3.614 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cc(F)cc(F)c2)CC1 153002033 ZSRCAPQERIANQH-ZDUSSCGKSA-N 294.389 3.656 30 20 CHED Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C#N)[nH]2)o1 153795003 KYOHRGZSWFUPHK-OAHLLOKOSA-N 297.358 3.545 30 20 CHED CN(C(=O)NCc1cccc(C#N)c1)C1CCC(C)(C)CC1 154003702 FLWRARCSPDBEHV-UHFFFAOYSA-N 299.418 3.668 30 20 CHED CCCCCCCOC(=O)[C@H](C)c1c(C)noc1C 157510809 CZXSHLHRAPVLJD-LLVKDONJSA-N 267.369 3.909 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)CCC2CC2)c1 158727111 HJVMBVZOPBHHAN-UHFFFAOYSA-N 288.391 3.905 30 20 CHED Cc1ccc(CN(CCC#N)Cc2cccnc2)c(C)c1 159050310 YGTHAHRIWORMLE-UHFFFAOYSA-N 279.387 3.614 30 20 CHED CCOCCC1(CN[C@H](C)c2ccc(C#N)cc2)CCC1 159960257 WIQSWUHFKKIFMA-OAHLLOKOSA-N 286.419 3.806 30 20 CHED Cc1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1Cl 160330246 WUUQALNVKVWNHD-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCSc1ccc(Cl)cc1 162170895 LCWWVRSWJAHYEN-AWEZNQCLSA-N 296.823 3.631 30 20 CHED C[C@H](CNCc1ccc(C#N)cc1F)c1ccc(F)cc1 162507516 LFUDWKKMRYTBTD-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1nccn1CCc1ccccc1 164267400 HVXWPRLVNZBYNC-SJORKVTESA-N 297.446 3.816 30 20 CHED C=CC1CCN(C(=O)c2cn(CC)c3ccccc23)CC1 171869230 YPLHZLJJIZTDOQ-UHFFFAOYSA-N 282.387 3.699 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)NC[C@@H](C)C#N 172220192 NTGGCANRIBYHOU-DZGCQCFKSA-N 264.413 3.505 30 20 CHED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)C1CCCCCCC1 173965693 BNSBXHQBPBHLBA-MRXNPFEDSA-N 298.386 3.694 30 20 CHED Cc1ccccc1O[C@H](C)CNCC(C)(C)CCC#N 174590628 APUGYOTXYCVYTM-OAHLLOKOSA-N 274.408 3.682 30 20 CHED C=CCCCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 175553978 KPJJBWPOVNKBTD-OAHLLOKOSA-N 288.435 3.588 30 20 CHED COC(=O)[C@H](Nc1ccc(C)c(C)c1)c1cccc(C#N)c1 176707353 XCTIQSMYPHOZKS-QGZVFWFLSA-N 294.354 3.501 30 20 CHED C=CCN1CCC(N[C@@H]2CCc3cc(Cl)ccc32)CC1 177912629 QKMDGFRGROPOFY-QGZVFWFLSA-N 290.838 3.567 30 20 CHED Cc1c(C#N)cccc1NCc1cccnc1Cl 179056826 WENKAIBHVPSPDY-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=CCCCC(=O)NCCc1cc(Cl)ccc1OCC 179286261 PPKXVUAAOKCFHS-UHFFFAOYSA-N 295.810 3.754 30 20 CHED C=CCSCCN[C@H]1CSCCc2ccccc21 180458944 WBJALEBDYRVJOP-HNNXBMFYSA-N 279.474 3.526 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(C)s1 181416329 IUDOZCMAVIQBKB-UHFFFAOYSA-N 272.373 3.939 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](CC)c1nc(C)cs1 181423316 VLYCYBVEOOYFNC-YPMHNXCESA-N 295.452 3.947 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(-n2nc(C)cc2C)c1 181591479 YDCOXKUCSVOLRW-UHFFFAOYSA-N 298.390 3.529 30 20 CHED C=CCCCN(C)C(=O)c1cccn1C1CCCC1 182060631 NEYPVFIXUOAESU-UHFFFAOYSA-N 260.381 3.641 30 20 CHED C=CCSCCN[C@@H]1CCCOc2cc(F)ccc21 182129133 ZNZOVNVMNYWUBJ-CQSZACIVSA-N 281.396 3.548 30 20 CHED COCc1cccc(CNc2ccccc2O[C@H](C)C#N)c1 182558901 ZOOZNOCTIUAESV-CQSZACIVSA-N 296.370 3.736 30 20 CHED C=CCCCC(=O)N[C@@H]1CCCOc2cc(F)ccc21 182836561 IXODVYJPKBLLLL-CQSZACIVSA-N 277.339 3.512 30 20 CHED CC(C)CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 185098312 HSVLYMBYIUUPKL-UHFFFAOYSA-N 288.435 3.744 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 185172963 OQKCVWMEASGLIT-CQSZACIVSA-N 287.403 3.701 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2scnc2C2CCCC2)C1 185312874 CCGIAZXIFYFCOR-JQWIXIFHSA-N 290.388 3.650 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(F)cc(F)c1 187513488 DAJUOIPABUFDSY-UHFFFAOYSA-N 280.318 3.509 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)cc1F 187515763 KVOIFLKQUYJZEV-UHFFFAOYSA-N 280.318 3.509 30 20 CHED C=C(C)[C@H](N[C@H](C)c1nnc(C)o1)c1ccc(F)c(F)c1 187787882 IIGAQEHZSHOEQP-OTYXRUKQSA-N 293.317 3.624 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCc1ccccc1C 189906582 YWZAEQHVVIFUHL-UHFFFAOYSA-N 286.419 3.859 30 20 CHED C=CCN(CCOC)Cc1ccccc1Oc1cccnc1 191077026 NURGZCDHRWDQEG-UHFFFAOYSA-N 298.386 3.508 30 20 CHED C=CCC1(C(=O)Nc2cc3c(cc2Cl)OCO3)CCC1 191476009 UTTSYFNWQBKJSB-UHFFFAOYSA-N 293.750 3.754 30 20 CHED C#CCCCC(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 192356838 ISWMENBZKGLQPP-KRWDZBQOSA-N 271.404 3.578 30 20 CHED COc1ccc(C(C)=O)c(O[C@H](C)c2ccc(C#N)cc2)c1 194621979 GFKHVSKEBQEOQS-CYBMUJFWSA-N 295.338 3.909 30 20 CHED N#Cc1ccccc1CN1CCC[C@@H]2CCCC[C@H]21 217655645 UYSNYJJDDTUHGI-WMLDXEAASA-N 254.377 3.713 30 20 CHED N#Cc1ccc(N[C@H]2CCCSC2)cc1Br 228196242 SZODPIJKNBCLFJ-NSHDSACASA-N 297.221 3.628 30 20 CHED N#CCCCOc1cccc(CNCc2cccc(F)c2)c1 237791208 SNETWYDJCRWMFB-UHFFFAOYSA-N 298.361 3.798 30 20 CHED C[C@H](NCc1cc(C#N)cs1)[C@@H]1C[C@H]2CC[C@H]1C2 246257444 UIXKVTLWMVZXGY-UHXUCMFUSA-N 260.406 3.534 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(OCC#N)cc2)C[C@H]1C 246878946 KCPXWBQZMDVBHF-IIAWOOMASA-N 272.392 3.503 30 20 CHED CCCC[C@H](CC)C(=O)N(C)Cc1ccc(C#N)cc1 248029606 HQHIIDQNFKYHKC-INIZCTEOSA-N 272.392 3.733 30 20 CHED CCO[C@@H]1C[C@H](N[C@H]2CCC[C@@H](C#N)C2)C12CCCCC2 248882420 RTKAGVOJOBJNKY-LTIDMASMSA-N 290.451 3.786 30 20 CHED O=C1/C(=C\c2ccccc2[N+](=O)[O-])Cc2cc(F)ccc21 255302117 RSCQXXUGIVCZQC-GHXNOFRVSA-N 283.258 3.556 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1 255519191 NSPADICNVJDPRZ-KPVYPLCOSA-N 293.322 3.579 30 20 CHED Cc1cc(CON=Cc2cccc(Cl)c2Cl)on1 255841256 GWVKTMWUKNYRAR-UHFFFAOYSA-N 285.130 3.841 30 20 CHED C=CCCC(=O)NCc1cccc(COC(C)(C)C)c1 263981243 KPSHTCMGVUNHJS-UHFFFAOYSA-N 275.392 3.584 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc(Cl)cc1 264027234 JHKKNXHBCBBPMB-UHFFFAOYSA-N 278.783 3.742 30 20 CHED CC(C)OCCCN(C)Cc1ccccc1C(C)(C)C#N 268955308 GSANPXGVPGYONY-UHFFFAOYSA-N 288.435 3.735 30 20 CHED CC1(NC(=O)Nc2ccc(C#N)cc2Cl)CCCC1 269173848 YDMYBFDNFLIHBD-UHFFFAOYSA-N 277.755 3.666 30 20 CHED C#CCCN(C)[C@H](C)c1sc(C(C)C)nc1C 270462760 AMDZSXPAJUAFRN-GFCCVEGCSA-N 250.411 3.591 30 20 CHED C=CCN(C(=O)Nc1ccc(-c2nccs2)cc1)C1CC1 271316021 AYJRYKPYMFSPBH-UHFFFAOYSA-N 299.399 3.992 30 20 CHED C=CCN(C(=O)c1csc(Cc2ccccc2)n1)C1CC1 271432609 BLPXIIXGIKBGEK-UHFFFAOYSA-N 298.411 3.525 30 20 CHED C=C(C)[C@H](Cc1nc([C@@H]2CCCCS2)no1)OCC 274032025 OKPLGLKCHPTJQK-RYUDHWBXSA-N 282.409 3.552 30 20 CHED Cc1oc2ccc(NC(=O)N(C)C[C@@H](C)C#N)cc2c1C 274818358 AZXKWJZWDWQFAW-JTQLQIEISA-N 285.347 3.673 30 20 CHED Cc1nccn1CCS[C@@H](C)c1cccc(C#N)c1 276201469 NPWXFSCZZQNUCS-LBPRGKRZSA-N 271.389 3.558 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccccc1C(F)(F)F 276290720 HRDZCCZJXAXMIP-NSHDSACASA-N 270.298 3.829 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1 276368829 WYTZQQYYTCQUDX-UHFFFAOYSA-N 272.270 3.745 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)cc1Cl 282454678 GULIEZSUKWKTAM-VIFPVBQESA-N 298.720 3.976 30 20 CHED Cc1cc(Cl)nc(CN[C@@H](C)c2cccc(C#N)c2)c1 283672998 YIUPULZSSZFPNC-LBPRGKRZSA-N 285.778 3.766 30 20 CHED CCOC1CC(CSCc2cc(F)ccc2C#N)C1 285091771 NEQAXRMACOGEEV-UHFFFAOYSA-N 279.380 3.746 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1cccc(Cl)c1Cl 286107576 NLNMRWJJRHLMSU-LBPRGKRZSA-N 272.131 3.839 30 20 CHED CC(C)c1ccc2occ(C(=O)N(C)[C@H](C)CC#N)c2c1 286135255 NETFCSCJDNMXER-GFCCVEGCSA-N 284.359 3.930 30 20 CHED C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(C#N)cc1 287143972 ATQUIOAGIRVBBL-NOZJJQNGSA-N 268.282 3.550 30 20 CHED Cc1csc(NC(=O)[C@H]2CCCC(F)(F)C2)c1C#N 288943713 XWVZKDIVUXWGOZ-VIFPVBQESA-N 284.331 3.692 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(F)c(C(F)(F)F)c1 289593268 ZSYJBGUKUJHESP-GFCCVEGCSA-N 289.228 3.690 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccc(SC(C)(C)C)cc1 289778257 LUMZTNIYNNFAAH-INIZCTEOSA-N 293.432 3.843 30 20 CHED N#CCCCC(=O)N1CC2(CCCC2)c2cccc(F)c21 291605482 CJJJGXSVHFOCAY-UHFFFAOYSA-N 286.350 3.678 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 292392670 BYUKXRIPIYSDPD-JCNLHEQBSA-N 287.378 3.956 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 299356096 XIEPQIXOTWLXEJ-LLVKDONJSA-N 297.782 3.577 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1F)c1nc2ccccc2[nH]1 301150633 OOUQMZHKJVUKRT-SNVBAGLBSA-N 280.306 3.747 30 20 CHED N#Cc1cccc(Oc2ccc(Nc3ncccn3)cc2)c1 301183125 RJKCLQOTXSPMGF-UHFFFAOYSA-N 288.310 3.884 30 20 CHED C[C@@H]1CCCN(CCCCNc2ccc(F)cc2C#N)C1 301358749 LLGVNUDPGOOTHB-CQSZACIVSA-N 289.398 3.621 30 20 CHED COc1cccc(CCCNc2ccc(F)cc2C#N)c1 301404267 KSQIUHBOTPFNHH-UHFFFAOYSA-N 284.334 3.751 30 20 CHED C[C@H](Nc1ncccc1C#N)c1c(F)cccc1Cl 301489648 LLRRHXCUDUMOIN-VIFPVBQESA-N 275.714 3.919 30 20 CHED Cc1cc(Nc2cccc(C#N)n2)ccc1OC(C)C 301816729 DUXKJRTYHDIINT-UHFFFAOYSA-N 267.332 3.793 30 20 CHED N#Cc1ccc(N[C@@H]2CCCC[C@@H]2Cc2ccccc2)nn1 301952118 CASIUFNTBZBVSM-NVXWUHKLSA-N 292.386 3.562 30 20 CHED C[C@H](CNc1c(C#N)cccc1C#N)c1ccc(F)cc1F 302899840 SJABMJJXLWAKLQ-LLVKDONJSA-N 297.308 3.924 30 20 CHED Cc1ccc(N/C(N)=N\C[C@H]2CCCC[C@H]2C)cc1 303881287 KSSWKLYXZVQZDR-ZIAGYGMSSA-N 259.397 3.548 30 20 CHED Cc1cc(C)c(C(=O)Nc2cccc(CC#N)c2)c(C)c1 313448441 VBXDNRABMVWBRF-UHFFFAOYSA-N 278.355 3.930 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 314955706 NTNBUJCIZUMSBV-XJIUQZFPSA-N 270.376 3.826 30 20 CHED Cc1cc(-c2nnco2)ccc1NCc1cccc(C#N)c1 315416831 HWEXPMFXUUEORS-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CC1(C)SC[C@@H]1/N=C(/O)Nc1nc2ccsc2s1 328733403 HTCSNPCHHSSFGH-ZETCQYMHSA-N 299.446 3.578 30 20 CHED C/C(O)=N/C1(/C(O)=N/[C@@H]2CSC2(C)C)CCCCC1 328743513 NLWBZWOUHDWJBS-LLVKDONJSA-N 284.425 3.516 30 20 CHED C[C@H](/N=C(/O)Nc1cccc2ccsc12)[C@@H]1CCOC1 328787070 KZMGNMQDBUSVLQ-CMPLNLGQSA-N 290.388 3.652 30 20 CHED CCc1ccc(CC)c(N/C(O)=N/[C@H]2CCCOCC2)c1 329253741 ZIZNOYFJWYLIHN-HNNXBMFYSA-N 290.407 3.706 30 20 CHED Cc1c(C/N=C(/O)C[C@@H]2CCOC2)oc2ccc(F)cc12 329863615 ZGBDGFIQULDUCA-NSHDSACASA-N 291.322 3.763 30 20 CHED Cc1oc(C(C)C)cc1/C(O)=N/CC1(CO)CCCC1 330595620 BYWVXGPFIPVRRB-UHFFFAOYSA-N 279.380 3.569 30 20 CHED CCC[C@@H]1CCc2nc(NC(=O)CCCC#N)sc2C1 330902984 SRYZOSLNDIVAJF-LLVKDONJSA-N 291.420 3.680 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@H](C)C[C@@H](C)CC 330923221 SJGXRQJYCFAYEW-VHSXEESVSA-N 252.358 3.675 30 20 CHED CCC[C@@H](C)N(C)C(O)=Nc1cnn([C@H](C)CC)c1C 331141993 RHLPFEQZLUMLAX-VXGBXAGGSA-N 280.416 3.828 30 20 CHED N#CCc1cccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 332600533 NFAWYAQYOIWPMG-SOLBZPMBSA-N 296.414 3.841 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=N)O)c2ccccc21 332685506 OJGJSIPWEVUCLF-JSGCOSHPSA-N 286.375 3.644 30 20 CHED N#C[C@@]1(C(=O)NC2CC(c3ccccc3)C2)CC12CCCC2 333375701 ANWHAJSCEBCCMK-LADRWXRNSA-N 294.398 3.523 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)c2ccco2)s1 334818907 LLCKUIJFFGTEQT-UHFFFAOYSA-N 274.345 3.763 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1Cl 335863290 MPBFCDFZLKYFET-QMTHXVAHSA-N 289.766 3.618 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)[C@@H]1COc2ccccc21 336209902 MMIQZTZVUJMBAV-KDWRMLKXSA-N 284.403 3.613 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1 336385920 GRIMBKDZWSIHNW-OAHLLOKOSA-N 296.395 3.640 30 20 CHED N#Cc1csc(CN2CCC=C(c3ccco3)C2)c1 336487465 LSWRLPCJEPJAQS-UHFFFAOYSA-N 270.357 3.502 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H](C)c1ccccc1F 337862056 BMOHYGSFBPMYNW-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED COCCCNc1c(C#N)cnc2c(Cl)cc(C)cc12 338401616 YIRHSJCOELAGLT-UHFFFAOYSA-N 289.766 3.517 30 20 CHED C=CCC(C)(C)CNCc1cn(C)nc1-c1cccs1 339417528 QPERCYJSJWNGFL-UHFFFAOYSA-N 289.448 3.841 30 20 CHED Cc1nsc(NCc2cccc(OC(F)F)c2)c1C#N 340020561 VTAPXNKDQXGZBB-UHFFFAOYSA-N 295.314 3.537 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc3c(c2)COC3)n1 340782970 VXWYRFQIGWFHMN-UHFFFAOYSA-N 270.332 3.621 30 20 CHED C=CCCOCCCCC(=O)N1CCc2cccc(C)c21 342981526 SNIYVEKSIIBZKU-UHFFFAOYSA-N 287.403 3.647 30 20 CHED C=CCCC[C@H](C)NC(=O)c1nc(C2CC2)n2ccccc12 343239918 SCLPUZPADKMTQZ-ZDUSSCGKSA-N 297.402 3.686 30 20 CHED C[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 343677140 CMOALZZYMAPXJK-AWEZNQCLSA-N 250.345 3.603 30 20 CHED C=CC[C@H](CC)NC(=O)c1sccc1-n1cccc1 343773785 RDTVQWYZUXPLJR-LBPRGKRZSA-N 274.389 3.623 30 20 CHED N#Cc1ccc(SCc2ccc3c(c2)OCCO3)cc1 344282752 GFJYDEOBNRAIDB-UHFFFAOYSA-N 283.352 3.622 30 20 CHED COC1CCC(CCNc2ccc(C#N)cc2F)CC1 347885225 SNJKIAMYYAZJBK-UHFFFAOYSA-N 276.355 3.705 30 20 CHED C=CCOCCCN(C1CC1)[C@H]1CCc2ccccc21 348065446 ZKMHMDGOTFAPEJ-SFHVURJKSA-N 271.404 3.731 30 20 CHED C=CCCCCNC(=O)CCC(=O)c1cc(C)sc1C 351583033 RJLVXGSCTRNDPD-UHFFFAOYSA-N 293.432 3.800 30 20 CHED C=CCOc1cccc(CN(C)Cc2ccoc2C)c1 352669740 BFKBWKWXSJTORS-UHFFFAOYSA-N 271.360 3.785 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCCC(F)(F)F 355945241 OITBLZSDIJVONV-UHFFFAOYSA-N 270.254 3.538 30 20 CHED Cc1nc(NC[C@H]2CCC(F)(F)C2)c(Cl)cc1C#N 360066688 ROWXVNFEXGJZJS-VIFPVBQESA-N 285.725 3.762 30 20 CHED CCO[C@@H]1C[C@@H](Nc2nc(C)cc(C)c2C#N)C12CCCC2 361236675 LCRRFNYRQYTLQW-HZPDHXFCSA-N 299.418 3.720 30 20 CHED C=CCCCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 368253523 HVVFSRLZBIPTAW-YOEHRIQHSA-N 287.403 3.961 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 376098186 AJWQEEXDUOLBMB-FRFSOERESA-N 288.366 3.518 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C1CC1 376120069 XUJYPXCSEGIIJH-GHMZBOCLSA-N 281.808 3.682 30 20 CHED N#Cc1cc(F)cc(OC[C@H]2CCCCC2(F)F)c1 382151108 OITCUMVCJKNXBF-LLVKDONJSA-N 269.266 3.902 30 20 CHED N#Cc1ccccc1COc1ccc(Cl)cc1F 385566899 WFVPNZFAVQWRQR-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC1(C)CCC[C@@H]1CNCc1ccc(C#N)cc1F 388796228 YKVDJJIGBQRNRG-CQSZACIVSA-N 260.356 3.613 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(C#N)cc1Cl 410589703 MECIKUUVFXZPMD-MEBBXXQBSA-N 276.767 3.976 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1cccc(OC(F)(F)F)c1 411473596 KQBANQLFEHDIFC-GHMZBOCLSA-N 286.297 3.928 30 20 CHED CC(C)[C@](C)(NCCC#N)c1ccc(Br)cc1 411621534 OHVXQGNBBCIRGH-AWEZNQCLSA-N 295.224 3.824 30 20 CHED CC1(C)C[C@@H](Sc2ccc(C#N)cc2F)CCO1 412997663 WCDCAQRJFCXEIV-NSHDSACASA-N 265.353 3.747 30 20 CHED C=CCC(C)(C)c1nc(-c2cccc(SC)n2)no1 420531377 RXVSBRQQABLQIC-UHFFFAOYSA-N 275.377 3.707 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 424565874 HHACHOFCDVCATG-NIFZNCRKSA-N 261.409 3.530 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cc(-c2ccccc2)on1 424651577 ZTFAJJOXBDEGJT-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C=CCN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 425540193 VDGKHPVSRYNNAB-LLVKDONJSA-N 268.282 3.605 30 20 CHED C=CCN(C)Cc1ccc(OC)c(OCCC(C)C)c1 428381380 OGACFORRAXYOJW-UHFFFAOYSA-N 277.408 3.738 30 20 CHED Cc1cccc2c1N(C(=O)c1ccc(F)c(C#N)c1)CCC2 430910971 ZTUIWNAMJSSHEI-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C[C@H](CC1CC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 431920000 RPIRYWGVKDJAHX-RHSMWYFYSA-N 299.418 3.909 30 20 CHED CC(C)(CCC#N)CNc1c(Cl)cccc1[N+](=O)[O-] 432172687 QETXYGQUNJOMSK-UHFFFAOYSA-N 281.743 3.990 30 20 CHED CN(CCc1c(F)cccc1Cl)CC(C)(C)C#N 433294912 BKOHWCZXFCVCJQ-UHFFFAOYSA-N 268.763 3.503 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1CC(F)(F)C1 440564241 ZTRGPCVIWFBDQY-UHFFFAOYSA-N 271.351 3.627 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2cccc(Cl)c2Cl)C1 442781446 IWEWEACWNWIWHK-PWSUYJOCSA-N 283.202 3.818 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(c3ccc(F)cc3Cl)CC2)C1 442847210 PWOGQQUYWPPRHE-WCQYABFASA-N 292.785 3.793 30 20 CHED C=CC[C@H]1N(C(=O)CC2(O)CCCCC2)CCCC1(C)C 444633375 BZLZSEKBWBLWIY-OAHLLOKOSA-N 293.451 3.665 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC(C)(C)C(C)C 446335920 CASWKPODQHKVMD-UHFFFAOYSA-N 273.380 3.670 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1c[nH]nc1-c1nccs1 447092311 APCOXRPOADDBSP-UWVGGRQHSA-N 262.382 3.546 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(C)c(C(N)=O)c1 449055805 XKJOFMSCDAMGFD-CYBMUJFWSA-N 260.381 3.641 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](C)c1nccs1 449236764 LITXKMPZPZUMSY-CHWSQXEVSA-N 252.427 3.971 30 20 CHED C=C(C)COc1cc(CN[C@@H](C)C(C)(F)F)ccc1OC 449417717 YZIGXGUUBOMRQW-LBPRGKRZSA-N 299.361 3.783 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 451313084 LYKOMKKIIYGFID-TVFCKZIOSA-N 299.414 3.578 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)C(C)(F)F)c1ccccc1 452844809 GDHLRGXOCSOEAE-WCQYABFASA-N 267.319 3.506 30 20 CHED CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(F)F 453253977 XNMRWYQPWXPTNW-LSDHHAIUSA-N 278.346 3.959 30 20 CHED CC(C)(CCC#N)CN[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C 459774076 VKSICLCYONXXIG-ZIAGYGMSSA-N 280.456 3.888 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1C(C)C 460563910 KVSQMLCCRACTAC-LSDHHAIUSA-N 290.455 3.993 30 20 CHED C[C@@H](C[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)c(C#N)c1 463650790 RJQHDSXZWYKRMY-GWCFXTLKSA-N 298.308 3.947 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SC[C@H](C)CC 464796792 WFDLOAKYOYAZSB-CHWSQXEVSA-N 257.443 3.579 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(SC)cc1 466391316 YNNDJOXPIDMLOI-NSHDSACASA-N 264.394 3.885 30 20 CHED C=CCCCNC(=O)[C@@H](C)c1cc2ccccc2o1 468392687 OSDGHZFPWXJESP-LBPRGKRZSA-N 257.333 3.619 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccccc1SC 471316532 JBHQKILRRPYGOH-MRXNPFEDSA-N 277.433 3.969 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](C)c1cc(C)ccc1C 472576750 HWIKVSKODYFKHZ-HOTGVXAUSA-N 261.409 3.623 30 20 CHED C=C1CCN(Cc2ccc(OCC3CC3)cc2)CC1 483288726 IRMHVABPRNXDCQ-UHFFFAOYSA-N 257.377 3.627 30 20 CHED N#Cc1ccc(Sc2ccc(Cl)c(C#N)n2)c(F)c1 486979744 JVOAPLAIJYKYLX-UHFFFAOYSA-N 289.722 3.769 30 20 CHED Cc1cc(F)ccc1C1CCN(c2ccnc(C#N)c2)CC1 488467188 WUJONQATLDHVBC-UHFFFAOYSA-N 295.361 3.785 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)nc2ccccc12 488821428 JXMXXKXJJJUDAK-CQSZACIVSA-N 280.371 3.724 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(C#N)cc1Cl 489448388 MCPBLZLTJQFGJH-CQSZACIVSA-N 260.768 3.752 30 20 CHED C=C[C@H](C)NC(=O)CCCCCc1ccc(F)cc1 489693928 ZETZGFLPXHSXBL-ZDUSSCGKSA-N 263.356 3.619 30 20 CHED CC(C)N(C/C=C\c1ccncc1)Cc1ccc(C#N)cc1 494923720 RJIKGRHUDCEXOF-ARJAWSKDSA-N 291.398 3.877 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)OC1CCC1 496434773 WBVKAWZUOIJCJU-UHFFFAOYSA-N 291.395 3.531 30 20 CHED C=CCN(C(=O)[C@H](C)C(C)C)c1nc2c(s1)CCCC2 497553419 NZVHLASYILIBEZ-GFCCVEGCSA-N 292.448 3.833 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC(CC)CC 503513911 QWUXVZQCCBLJRM-UHFFFAOYSA-N 266.410 3.634 30 20 CHED CCOC(=O)CC[C@@H](C)Sc1ccc(C#N)cc1F 505513931 PEYOFEGSEHVZGR-SNVBAGLBSA-N 281.352 3.521 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)CC(C)(C)C#N)CC(C)(C)C1 509111679 NQMQADSUUVQOQN-ZIAGYGMSSA-N 278.440 3.895 30 20 CHED C=C(C)CN(CC)Cc1c(Cl)cccc1C(=O)OC 509327675 MNZLHYBHVVPGEM-UHFFFAOYSA-N 281.783 3.525 30 20 CHED C=C(C)CCN(Cc1cccc(F)c1)C[C@H]1CCCO1 509328197 PBKWROTVXWXQNY-QGZVFWFLSA-N 277.383 3.773 30 20 CHED CCc1cc(NCc2ccc(C#N)s2)ccc1F 512502357 YXUSKZISWPWETM-UHFFFAOYSA-N 260.337 3.933 30 20 CHED N#CCC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 515043839 MMMUTLHNYHEYOW-UHFFFAOYSA-N 299.349 3.606 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(OCCC(C)C)cc1 517406012 PPHJIMSPGHXXFZ-QGZVFWFLSA-N 288.391 3.990 30 20 CHED CCC1(C(=O)NCC(C)(C)CCC#N)CCCCC1 521661437 ADCXORBJJGLFNB-UHFFFAOYSA-N 264.413 3.793 30 20 CHED N#Cc1ccsc1C(=O)N[C@@H](c1cccs1)C1CC1 522111494 UJWGKWKXKYYUCY-GFCCVEGCSA-N 288.397 3.562 30 20 CHED C=CCn1c(S[C@H]2C=CCCC2)nc2ccccc2c1=O 524442717 ZSLJCSLLCOCAPO-ZDUSSCGKSA-N 298.411 3.783 30 20 CHED COc1cccc(CCCOc2ccc(C#N)c(F)c2)c1 525004540 UTJSNXMUHATBCV-UHFFFAOYSA-N 285.318 3.718 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nccc2ccccc12 529457471 SAKRPFRSMLFFTQ-UHFFFAOYSA-N 267.332 3.503 30 20 CHED C=CCNC(=O)c1cccc(-c2c(F)cccc2F)c1 535988401 DKRLIMSMAUKIOE-UHFFFAOYSA-N 273.282 3.548 30 20 CHED C=C(CC)CNc1ccc(CCC(=O)N2CCCC2)cc1 536882375 WYQDIWKXUQVQQH-UHFFFAOYSA-N 286.419 3.620 30 20 CHED CC#CCN[C@H](COc1ccccc1F)c1ccccc1 538169298 LCHFPVJDURPKIS-QGZVFWFLSA-N 283.346 3.559 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccn1[C@@H](C)Cc1ccccc1 539118906 JXRLBDTTYMCSEO-CVEARBPZSA-N 296.414 3.986 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccccc1C(F)(F)F 540398337 OJTIODKDZGFRMD-NEPJUHHUSA-N 287.325 3.541 30 20 CHED C[C@@H](C#N)CNC(=O)N[C@@H](CC1CCCCC1)C(C)(C)C 541020454 NHMACNRXRFCBMO-ZFWWWQNUSA-N 293.455 3.830 30 20 CHED N#Cc1c(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)nc2ccccn12 542974045 AYCOHWZAHSTHLB-MELADBBJSA-N 280.375 3.587 30 20 CHED CC[C@H]1CC[C@H](C)N1c1ncc(Cl)c(C)c1C#N 543137104 NKWXRBUIKYPWBH-ONGXEEELSA-N 263.772 3.682 30 20 CHED Cc1cc(C#N)ccc1OCc1nc(C2CC2)cs1 544079800 TUSVTAOWKLXNKJ-UHFFFAOYSA-N 270.357 3.780 30 20 CHED C=CCOCCCc1nc(-c2ccc(C(C)C)cc2)no1 545523217 GCCOVADSBOQSEQ-UHFFFAOYSA-N 286.375 3.995 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](CC)C1 549700178 ULZYBQRTQAPDMS-HNNXBMFYSA-N 296.418 3.758 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)[C@H](C)c1ccccc1 553152163 CMWVGETXZYFRCQ-QWHCGFSZSA-N 251.333 3.557 30 20 CHED C=CCOc1ccc(CN[C@@H]2CC[C@@H]2C2CC2)cc1 554094419 DWZQFLDYFJAANO-IAGOWNOFSA-N 257.377 3.530 30 20 CHED C=CCCN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC 556881344 OJTGQJDHLUXBPY-BBWFWOEESA-N 259.393 3.503 30 20 CHED C=CCCCCN1CCC[C@@H](N2[C@@H](C)CC[C@H]2C)C1 562532479 KJHAIXDBKRJOLK-IXDOHACOSA-N 264.457 3.680 30 20 CHED CC[C@H](N[C@H](C)CN1CCC[C@@H](C)C1)c1ccc(C#N)cc1 564162624 ADPUQHITRZQJKD-MDZRGWNJSA-N 299.462 3.719 30 20 CHED C=CCCCCS(=O)(=O)[C@H](CC)c1ccccc1 564425336 ADDXEVRHNBYRTP-OAHLLOKOSA-N 266.406 3.909 30 20 CHED N#Cc1ccc(CS[C@H]2CCc3ccccc3C2)nc1 567368194 OHIYFIWFTMNZKN-KRWDZBQOSA-N 280.396 3.744 30 20 CHED C=CCn1c(C)nnc1SC[C@@H]1CCCC[C@@H]1C 570651215 SFGZSIZETMYVHM-AAEUAGOBSA-N 265.426 3.691 30 20 CHED C/C(=C\c1ccc(F)c(C#N)c1Cl)c1cnccn1 573544008 YXFDJVNNZYZQCD-RMKNXTFCSA-N 273.698 3.701 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 576885497 QDASSHASIUVJTG-RDTXWAMCSA-N 277.371 3.536 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C(C)(C)C)C(F)(F)F 581764710 QDXHSBFZXOXAMY-NXEZZACHSA-N 280.334 3.617 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H](C)C2CCC2)cc1 584121229 FWHBRFLBYYGEJA-CXAGYDPISA-N 284.403 3.708 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(OCCOC)cc1 584771577 QJHXXFGNNOJBAY-HNNXBMFYSA-N 291.435 3.965 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)c1cc(C#N)cc(C)n1 587985914 GBPKCBSSAVXQLI-KRWDZBQOSA-N 279.387 3.719 30 20 CHED C=CCCC(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 588037253 DDPYGCJCBDDFKZ-NSHDSACASA-N 278.421 3.953 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc([N+](=O)[O-])cc1Cl 588421495 JJZWANYHOWTWHH-UTCJRWHESA-N 288.690 3.539 30 20 CHED C[C@@H](ON=Cc1cccs1)c1cccc(C#N)c1 588574712 BBINQSRAIQGIQX-LLVKDONJSA-N 256.330 3.731 30 20 CHED CC(C)CN(CCc1ccc(F)cc1)C(=O)CCCC#N 589752255 BQPRIDBWSRCFNW-UHFFFAOYSA-N 290.382 3.547 30 20 CHED C[C@@H](NC(=O)c1cccc(C#N)c1)c1cccc(C2CC2)c1 590766784 YRRPFMQZZSYODU-CYBMUJFWSA-N 290.366 3.927 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1Cl 591531410 IOTLNXVZLOYSDQ-APPDUMDISA-N 297.789 3.945 30 20 CHED C[C@@H]1SCC[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 592001598 FROLNCUNWWHTJO-CMPLNLGQSA-N 275.421 3.557 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 593397717 QTKYEZCSXOOOBD-SMDDNHRTSA-N 276.767 3.553 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl 593443338 FPWAFWUVLXIDCO-UWVGGRQHSA-N 299.201 3.590 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 593451163 VHJITRLJXCQNCO-NHYWBVRUSA-N 290.794 3.847 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H](CC(C)C)c1ccccc1 594089057 MJVOJHBCPGUTIH-HZPDHXFCSA-N 272.392 3.577 30 20 CHED N#CCC1(CS[C@H]2CCc3ccccc3C2)CC1 594907970 JHTXIXSIOFWVHU-HNNXBMFYSA-N 257.402 3.971 30 20 CHED CCOC(=O)c1ccc(SCC2(CC#N)CC2)c(F)c1 594908362 JJCAHRPIOTYYBP-UHFFFAOYSA-N 293.363 3.788 30 20 CHED COc1cccc([C@H]2C[C@H](Nc3nc(C#N)ccc3C)C2)c1 596258915 OAAPANNALSBYOT-KOMQPUFPSA-N 293.370 3.628 30 20 CHED CCC(CC)(C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597909603 OASYRUIRDVSJTK-MRXNPFEDSA-N 298.430 3.897 30 20 CHED CSCC1(CCNC(=O)CC2(C#N)CCCCC2)CC1 597987360 SJAMSLHXIWXANV-UHFFFAOYSA-N 294.464 3.500 30 20 CHED CCCc1ccc(C(=O)N2CCc3ccc(C#N)cc32)s1 601375802 RDSQKKSQMUWKTK-UHFFFAOYSA-N 296.395 3.775 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(C(F)(F)F)c(F)cc1C 601596830 VICYJPNRANCIJI-MRVPVSSYSA-N 288.244 3.641 30 20 CHED C[C@H](CCC#N)CN(C)Cc1ccc(OC(F)F)cc1 602431008 BALXAGSAAFICMJ-GFCCVEGCSA-N 282.334 3.660 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H](CN2CCCC[C@H]2C)C1 602451010 NKWHXDAKRXAFPE-KURKYZTESA-N 291.483 3.513 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccccc1)CC(F)F 602485021 MJOATWNNPLLDDY-ZDUSSCGKSA-N 266.335 3.694 30 20 CHED C[C@@H](CCC#N)CNCCc1ccc(F)cc1Cl 602565649 QUWJKKDMPSRGTB-NSHDSACASA-N 268.763 3.551 30 20 CHED C[C@H](CCC#N)CN[C@H]1CC(C)(C)c2ccccc21 602578102 VFYQGMMVYPPMTR-CJNGLKHVSA-N 256.393 3.938 30 20 CHED CC[C@](C)(O)CN(Cc1ccccc1)C[C@H](C)CCC#N 602625103 DDJTWNJNXMWHNU-AEFFLSMTSA-N 288.435 3.589 30 20 CHED CC[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 604498994 FDCCDLVHMSIUSJ-CQSZACIVSA-N 287.407 3.524 30 20 CHED C=CC[C@@H](C)NC(=O)COc1ccccc1-c1ccccc1 604880054 NFCKWYCXKQKNSO-OAHLLOKOSA-N 295.382 3.813 30 20 CHED COc1ccc2c(c1)CCCN(c1cccc(F)c1C#N)C2 609132712 DOSIBOBNMIUOOP-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1cc2c(Cl)cccc2s1 609522338 XYZABIJIYDZMAR-LLVKDONJSA-N 292.791 3.833 30 20 CHED N#Cc1ccc(N[C@H](Cc2ccccc2)C2CC2)cc1 609914683 TXNNLOQXFZPTBW-GOSISDBHSA-N 262.356 3.991 30 20 CHED C=CCCCCCN(C)Cc1cccc([N+](=O)[O-])c1 610079889 DJGKKTWZOWJPSB-UHFFFAOYSA-N 262.353 3.773 30 20 CHED C[C@@H]1c2ccsc2CCN1c1ccc(C#N)cc1[N+](=O)[O-] 610350330 QVLJCGNEDWYPAI-SNVBAGLBSA-N 299.355 3.652 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H](C)c1ccc(Cl)s1 610540924 QBRADSIEFXXZDN-VHSXEESVSA-N 284.812 3.559 30 20 CHED COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(C#N)c1)CC2 610829987 VRSTZQYOGIBKMG-YJYMSZOUSA-N 292.382 3.905 30 20 CHED N#CCCN(Cc1ccccn1)Cc1ccccc1C1CC1 611268656 BMUWUULOUZRPJH-UHFFFAOYSA-N 291.398 3.875 30 20 CHED C[C@@H](NC(=O)N[C@@H]1CC12CCCCC2)c1cccc(C#N)c1 611294046 HXDIJFBFNLUBDH-CZUORRHYSA-N 297.402 3.641 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCC1CCSCC1 611392952 YWWTVRIUZKTOGF-KRWDZBQOSA-N 286.444 3.668 30 20 CHED CC(C)C[C@H](NC(=O)NCC(C)(C)C#N)c1ccccc1 611622804 HYEVSLNDSSNIQH-HNNXBMFYSA-N 287.407 3.623 30 20 CHED Cc1ccc(CCNc2nc(C(C)(C)C)ccc2C#N)cn1 613423780 OEFOVLKFOHIGNF-UHFFFAOYSA-N 294.402 3.609 30 20 CHED Cc1cc(C#N)ccc1CN(Cc1ccccn1)C(C)C 614397705 SBBKNYTXPZZWGT-UHFFFAOYSA-N 279.387 3.672 30 20 CHED CN(C(=O)c1csc(Cl)c1)c1ccc(C#N)cc1F 615655486 VNJRZYCHVRYBQF-UHFFFAOYSA-N 294.738 3.689 30 20 CHED C=CCC1(NC(=O)CCC2CCCCCC2)CCOCC1 618252260 FSHRUBCLOCJGDF-UHFFFAOYSA-N 293.451 3.979 30 20 CHED C=CCCC(C)(C)NC(=O)CCO[C@H](C)CC(C)C 620858597 KKMDWJBWADEZJA-CQSZACIVSA-N 269.429 3.689 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)Cc1ccccc1F 620859238 YVQWLTGJCZJZER-CYBMUJFWSA-N 277.383 3.865 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1 623857683 UGNUXRTYXIQCIT-XQQFMLRXSA-N 288.382 3.664 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCc1cn2ccccc2n1 657831715 GJBUMLCTGHYPCY-RDJZCZTQSA-N 283.419 3.601 30 20 CHED C=CCCOCC(=O)Nc1onc(C2CCCCC2)c1C 660944907 WZXAFACAFMEGET-UHFFFAOYSA-N 292.379 3.562 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC(C)(C)F 661327127 VTMRLXFEFPCZQI-HNNXBMFYSA-N 292.398 3.611 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCC[C@H](OC)C1 666238529 GSQGSVMHZYSVPP-SQNIBIBYSA-N 273.420 3.721 30 20 CHED C=CCOc1ccc(CNc2ncnc3c2CCCC3)cc1 672319489 BGMOUXCYDRUHGO-UHFFFAOYSA-N 295.386 3.532 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCCc1ccccc1 682368499 UMFDMZAGUAIDLJ-QGZVFWFLSA-N 259.393 3.728 30 20 CHED COc1ccc(C=NNC2CCCC2)c2ccccc12 727652244 XBAKHDRLBGMSEH-UHFFFAOYSA-N 268.360 3.715 30 20 CHED Fc1cccc(F)c1C=NNc1cccc2cnccc12 728431856 GFZDTZJVWQGYQO-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C=CCCOC(=O)c1c(Cl)c2ccccc2n1C 729072760 YKXNPZMUTVNGQJ-UHFFFAOYSA-N 263.724 3.565 30 20 CHED CCn1nc(C)c(/C=C2/Cc3c(C)cccc3C2=O)c1C 729151758 XFMXRZHYIZKVRV-UVTDQMKNSA-N 280.371 3.651 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(C#N)cc1)C2=O 729151985 ZKWWBPLEQONYSZ-DHDCSXOGSA-N 259.308 3.689 30 20 CHED N#Cc1ccc(F)c(COC(=O)CC2=CCCCC2)c1 730337699 NMHXZANEMGGWII-UHFFFAOYSA-N 273.307 3.631 30 20 CHED COc1cccc2cc(C(C)=NNc3ccc(F)cn3)oc12 731321828 QJCFYJLPLZJUTH-UHFFFAOYSA-N 299.305 3.812 30 20 CHED Brc1ccc(NN=C/C=C/c2ccco2)cn1 732712255 XXLQFENZBSIMSJ-KJYHGJOXSA-N 292.136 3.548 30 20 CHED CC(=NNC(=S)NC1CCCCC1)c1sccc1C 733745943 WEMQMFATYAEPMH-UHFFFAOYSA-N 295.477 3.577 30 20 CHED C#CCOc1ccccc1CNC(=O)[C@H](CC)CCCC 734106596 GHULZKNZPXHFOX-OAHLLOKOSA-N 287.403 3.531 30 20 CHED CC1CCC(=CC(=O)OCc2ccc(C#N)cc2)CC1 734202677 HLJZDLPTHVLVFH-UHFFFAOYSA-N 269.344 3.738 30 20 CHED Cc1ccc(F)c(C=NNc2cnc3ccccc3n2)c1 734979392 GOKALCXGVRODPQ-UHFFFAOYSA-N 280.306 3.523 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2CC)C1(C)C 736429795 GPYDSDMJMBAFLN-OAHLLOKOSA-N 260.381 3.852 30 20 CHED Cc1cccc(C)c1C(=O)OCc1cccc(C#N)c1 738704067 CBFUZTMNCVWETE-UHFFFAOYSA-N 265.312 3.532 30 20 CHED C=C(Br)CN1CCc2c(Cl)cccc2C1 740423807 RSPYDABBGUBMFA-UHFFFAOYSA-N 286.600 3.607 30 20 CHED CCO[C@@H]1CC(=NNC2CCCC2)C12CCCCC2 741464153 MYKFPUULZZMIEP-OAHLLOKOSA-N 264.413 3.634 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H]1COc2ccccc2C1 742390561 SMBBEHJQCGKGCM-GFCCVEGCSA-N 298.773 3.875 30 20 CHED Cc1cccc2c1C/C(=C/c1scnc1C)C2=O 742435383 WUAJBNULHFCFLE-XFFZJAGNSA-N 255.342 3.582 30 20 CHED COc1cccc(O)c1C=Nc1ccc2scnc2c1 750949521 GBYNBCGFGCQIMT-UHFFFAOYSA-N 284.340 3.761 30 20 CHED N#C[C@H](OC(=O)c1cccc(Nc2ccccc2)c1)C1CC1 751175657 DKJLLBKRAUUESL-KRWDZBQOSA-N 292.338 3.889 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cccc(C#N)c2)co1 752883119 OZJBLHRPARPENO-VOTSOKGWSA-N 266.300 3.566 30 20 CHED N#Cc1cnccc1NC(=O)c1cc2cccc(Cl)c2o1 753219793 FWXOJMNHDGITFL-UHFFFAOYSA-N 297.701 3.605 30 20 CHED CC(C)(C)[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)CS1 754145882 WBBLNFBYNDIOLD-ZFWWWQNUSA-N 292.423 3.707 30 20 CHED O=Cc1ccccc1OCC#Cc1ccc(Cl)cc1 754270268 XOGPHMPYMGLNHZ-UHFFFAOYSA-N 270.715 3.583 30 20 CHED CC(C)(C)SCCCC(=O)OCc1ccccc1C#N 754279572 MVQJCTHFWSRVMO-UHFFFAOYSA-N 291.416 3.913 30 20 CHED Cc1cc(C=NNc2c(F)cccc2Cl)c(C)n1C 754973977 QDRMVUXVWQPTOK-UHFFFAOYSA-N 279.746 3.880 30 20 CHED CCCCCCCCOC(=O)c1c(C)cc(C)nc1O 755617092 ZOPXDGFRCOVRLE-UHFFFAOYSA-N 279.380 3.921 30 20 CHED Cc1cccc(C)c1C=NNc1nc2ccccc2n1C 755649282 VQZAAXUPQRQUDY-UHFFFAOYSA-N 278.359 3.636 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccc(C)cc1)OCC 756578758 KCEDZSGIUCAGPO-HOCLYGCPSA-N 276.376 3.971 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1cccc(C#N)c1 756826624 CVBIBQIRNZQMOC-UHFFFAOYSA-N 283.762 3.725 30 20 CHED CC(CC1CC1)=NNCc1ccc(Br)cc1 756827759 ZQCKWXLZZSBCON-UHFFFAOYSA-N 281.197 3.715 30 20 CHED CCCCCCCCC(=O)N[C@@H]1Cc2cccc(O)c2C1 760607487 BRFYBSZISLSJPY-OAHLLOKOSA-N 289.419 3.726 30 20 CHED C=CCCC(=O)COC(=O)C[C@H](C)c1ccc(CC)cc1 761399501 DCEUIDVSQBGOQH-AWEZNQCLSA-N 288.387 3.821 30 20 CHED N#Cc1cc(NCc2c(O)ccc(Cl)c2F)ccc1F 762650008 BEYITZONSJVFFQ-UHFFFAOYSA-N 294.688 3.808 30 20 CHED C/C(=C\C(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 765133885 SZDIYTAVJKYKBU-WCRPCQDQSA-N 282.387 3.631 30 20 CHED CCC(CC)(CN[C@@H]1CCC[C@H](C#N)C1)SC 765937796 QRZDLITYMDGDLC-QWHCGFSZSA-N 254.443 3.580 30 20 CHED Cc1ccc(COC(=O)/C=C/c2ccccc2C#N)cc1F 766284841 QWCSRKOLLTWGEI-CMDGGOBGSA-N 295.313 3.762 30 20 CHED C=CC[C@@H]1N(C(=S)NCC(C)C)CCCC1(C)C 766523908 DQIROVQDURBKOT-ZDUSSCGKSA-N 268.470 3.584 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(O)c(Cl)c1 766771907 LWCCIXOOOYXXOY-HYXAFXHYSA-N 287.746 3.899 30 20 CHED C[C@@H]1CCC[C@H](OCCCCCC(=O)O[C@H](C)C#N)C1 766982650 KPDNDMDVXKGLLW-KFWWJZLASA-N 281.396 3.597 30 20 CHED C#CC[C@@H](Nc1ccc(C(F)(F)F)nn1)c1ccccc1 767289674 NYHXFJRWAWHNSN-GFCCVEGCSA-N 291.276 3.672 30 20 CHED CC(C)(C)c1nnc(CNc2ccc(C#N)cc2Cl)o1 767808659 OXTYEPOFZRPIPS-UHFFFAOYSA-N 290.754 3.504 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccc(C(=O)O)cc2)C1 768352559 OQIAPVPFVXIKJI-NWDGAFQWSA-N 260.337 3.609 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)/C=C/c1ccccc1C#N 768934814 RNPMWWYZTUAUEA-NCUBBLFSSA-N 296.414 3.999 30 20 CHED C#CCCOc1ccc(CN(C)CC(C)(C)C)cc1 768936993 KLTGYOQKPXXWHS-UHFFFAOYSA-N 259.393 3.567 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](F)c1ccccc1 769351274 ANNFJMZTRNWOHE-KRWDZBQOSA-N 283.346 3.912 30 20 CHED CCCCCCC=NN1CCc2ccccc2C1=O 769598488 YPLPXHSQMFAZJT-UHFFFAOYSA-N 258.365 3.641 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 769657953 DGDFZNUEWGFKSD-CYBMUJFWSA-N 294.398 3.531 30 20 CHED Cc1cccc(F)c1NN=Cc1nc(C)n2ccccc12 769842143 YYGMBFWFKFNXJQ-UHFFFAOYSA-N 282.322 3.536 30 20 CHED C#CC[C@@H](NC(=O)c1c(O)cccc1Cl)c1ccccc1 770131784 JPXYFAGYPQWIGK-CQSZACIVSA-N 299.757 3.540 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CC23CCCCC3)c1 770576961 AOEKAYKWJSWCHL-HNNXBMFYSA-N 284.428 3.677 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@H](C)C[C@H]1C 773086495 RXAVXLTUGACDOE-NWDGAFQWSA-N 260.385 3.824 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(C)c(OC)c2)c1C 773140250 QEVXZXXTIADRTM-MDZDMXLPSA-N 298.386 3.733 30 20 CHED Cc1cc2cc(C(=O)/C=C/c3ccn(C)n3)oc2cc1C 773154909 XRBJYOLYAMRPKJ-SNAWJCMRSA-N 280.327 3.679 30 20 CHED Cc1ccc(/C=C2\CC(=O)Nc3ccccc3C2=O)c(C)c1 774144752 LKOHJDZVNRLUQO-XNTDXEJSSA-N 291.350 3.912 30 20 CHED COc1cc(Cl)ccc1NCc1cc(C#N)cs1 775346567 VIXRIACXQNWHPP-UHFFFAOYSA-N 278.764 3.894 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)OCC1(C#N)CC1 775865027 HHDFBEZWRSQNSU-UHFFFAOYSA-N 293.750 3.589 30 20 CHED CC(C)(C#N)CCOC(=O)c1[nH]c2ccccc2c1Cl 776375911 SYIMISYVAXENIW-UHFFFAOYSA-N 290.750 3.918 30 20 CHED CCn1cc(C(=O)/C=C\c2cc(F)cc(Cl)c2)cn1 776720341 MHBGYAWNYJTIPE-ARJAWSKDSA-N 278.714 3.592 30 20 CHED Cc1ccc(C)c(OC(=O)Cc2ccccc2CC#N)c1C 776734882 DDSHJPQFGKAQEH-UHFFFAOYSA-N 293.366 3.826 30 20 CHED C=CCC[C@H](C(=O)OCc1cscn1)c1ccccc1 778553680 XMTOIAHXODCMCT-HNNXBMFYSA-N 287.384 3.936 30 20 CHED C#CCN(CC)C(=O)N[C@@H](CC1CCC1)c1ccccc1 779381486 BWQZKPOZYAZHJR-KRWDZBQOSA-N 284.403 3.583 30 20 CHED C#CCCCCCC(=O)N[C@H](CC)Cc1ccccc1 779900881 BTBHWYKLGAZCKU-QGZVFWFLSA-N 271.404 3.708 30 20 CHED COCCC1(C=NNCc2ccccc2)CCCCC1 780196639 FYJIOCCZXZUPOW-UHFFFAOYSA-N 274.408 3.749 30 20 CHED CC(C)(C)CN(CCC#N)C[C@H]1CCc2ccccc21 780289649 PGBZAWWERXBIJW-MRXNPFEDSA-N 270.420 3.978 30 20 CHED CC(CCCCN(C)C)=NNc1ccc(Cl)cc1 781116112 YFVLGSGKCVTDMG-UHFFFAOYSA-N 267.804 3.860 30 20 CHED CC(C)(C#N)COC(=O)c1cccc2c3c([nH]c12)CCCC3 781476038 JJCMOUIMYXOHMS-UHFFFAOYSA-N 296.370 3.753 30 20 CHED C#CCCCNc1cc(F)c(OC(C)(C)C)c(F)c1 782221916 UJFAKGHPHQQBQN-UHFFFAOYSA-N 267.319 3.967 30 20 CHED C[C@H]1CCC(=NNCCc2ccccc2F)[C@H](C)C1 783854334 ORDZOHYKPAZGNJ-QWHCGFSZSA-N 262.372 3.770 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1O 787028188 CAYAGENUPOTRDF-SJCJKPOMSA-N 278.355 3.602 30 20 CHED CCC(CC)CNN=C(C)c1cnn(C(C)(C)C)c1C 787163519 VQPJEOQPAYKSBV-UHFFFAOYSA-N 278.444 3.696 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn3cc(C)ccc3n2)c(O)c1 789142229 IUJVBVJEIPCEIF-ALCCZGGFSA-N 292.338 3.553 30 20 CHED Clc1sccc1C=NNc1ccc2[nH]ncc2c1 790174107 OKCDLUHJNKUCQH-UHFFFAOYSA-N 276.752 3.724 30 20 CHED CCCCCCCC(=O)N1CCOCc2ccccc21 791876261 YVEINJIJDMTMSI-UHFFFAOYSA-N 275.392 3.910 30 20 CHED CC[C@H](C)CON=C(C)c1ccc(OC)c(OC)c1C 793164782 YSRLHRYEBALWLY-NSHDSACASA-N 279.380 3.799 30 20 CHED COc1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1Cl 794719630 CGSSZNOGQHXJCB-RQOWECAXSA-N 291.709 3.779 30 20 CHED CC(=NN=CC1CCC(C(C)C)CC1)c1cnccn1 794915816 VOXAYHWJKDEAQO-UHFFFAOYSA-N 272.396 3.734 30 20 CHED CCc1c(C(C)=NNc2cncnc2)oc2ccccc12 794979479 WFTZJHPCCVKUEE-UHFFFAOYSA-N 280.331 3.621 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(C(C)(F)F)cc1 796257696 TYGPGJUNLFMYRI-UHFFFAOYSA-N 281.302 3.895 30 20 CHED CCC[C@](C)(CC)C(=O)Oc1ccc(C#N)cc1OC 796533248 RFGKLJSGVKLQQR-INIZCTEOSA-N 275.348 3.689 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1ccccc1 797784662 DNEKIKNEIOOPKR-UHFFFAOYSA-N 254.358 3.917 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 798494912 MUOXTOUBDVITJP-SECBINFHSA-N 297.742 3.724 30 20 CHED CC(=NNc1cccc(C#N)c1)c1cc(C)c(C)o1 799874432 LCKANUJYIWUBEM-UHFFFAOYSA-N 253.305 3.604 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cc1OC 799898381 YEEKTHLKJOCSMX-FNORWQNLSA-N 286.327 3.810 30 20 CHED CCCC[C@H](C)C(=O)O[C@H](C#N)C1CCCCC1 800274285 PYYWEAQJLZMLDN-GXTWGEPZSA-N 251.370 3.828 30 20 CHED COc1cccc(/C=N\[C@@H](C)c2ccsc2)c1O 800790985 XZQVEEPDXQAWNR-SOOGHKCXSA-N 261.346 3.642 30 20 CHED C=C(CNC(=O)[C@H](C)Cc1ccc(F)cc1)c1ccccc1 805250321 QXLHOCHYGIKJSM-CQSZACIVSA-N 297.373 3.834 30 20 CHED C=CC[C@H](C(=O)OCC(=O)CC(C)(C)C)c1ccccc1 805533525 NFQHSKMNPKGAEN-INIZCTEOSA-N 288.387 3.895 30 20 CHED C=CCCCCCCNC(=O)N1CCS[C@@H](CC)C1 806004718 QNESJBLKULXVHS-AWEZNQCLSA-N 284.469 3.660 30 20 CHED CCCCCCCCNC(=O)NC[C@H]1CCCSC1 807022618 MFVGBHMXNIAXMQ-CQSZACIVSA-N 286.485 3.789 30 20 CHED C=CCCCCCCNCc1ccc(-c2cc[nH]n2)o1 808419776 XYTIKZKHZMCUOE-UHFFFAOYSA-N 273.380 3.896 30 20 CHED C#Cc1ccc(CNCc2ccccc2OCC=C)cc1 809619894 HXRVFBZGQGIJOM-UHFFFAOYSA-N 277.367 3.523 30 20 CHED C#Cc1ccc(CNC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 809621057 ZMJAUKDMTZAVOF-ROUUACIJSA-N 285.431 3.599 30 20 CHED C=CCCCCOC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 811009483 XKBZFIHTIJECIY-CYBMUJFWSA-N 292.350 3.934 30 20 CHED C=CCCCCOC(=O)c1ncsc1C(C)C 811011521 AMFFSBDSQCZXBR-UHFFFAOYSA-N 253.367 3.780 30 20 CHED Fc1ccc(C(C[C@@H]2CCCO2)=NOC/C=C/Cl)cc1 811669502 PZIHRMUPJIEANN-NVUCBOPDSA-N 297.757 3.868 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](c1ccccc1)C(CC)CC 812003498 FHIQXGOYMQCBNN-PBHICJAKSA-N 286.419 3.827 30 20 CHED CC(=NOCCOC(C)C)c1cc(C)c(C)cc1C 812240735 QIMFJSCALSOXLL-UHFFFAOYSA-N 263.381 3.777 30 20 CHED N#Cc1ccc(NC(=O)/C=C\C2CCCCC2)cc1F 813259747 DBXGCABCWHNOCH-TWGQIWQCSA-N 272.323 3.772 30 20 CHED C[C@@H]1C(=NNc2ccccn2)CCCN1Cc1ccccc1 814732016 UCONFJLIHIBXKG-OAHLLOKOSA-N 294.402 3.534 30 20 CHED C[C@H]1SCCC1=NNc1ccc(OC(F)F)cc1 814828743 QBMZPXNGSDXLSL-MRVPVSSYSA-N 272.320 3.581 30 20 CHED COc1ccc2c(c1)C(=NNCC(C)C)CCCS2 814891977 FXDGVYWAXNZZSM-UHFFFAOYSA-N 278.421 3.531 30 20 CHED C#Cc1ccc(CN(C)Cc2c(F)cccc2F)cc1 816652028 XGCAMGXEQVNYRU-UHFFFAOYSA-N 271.310 3.578 30 20 CHED CCCCCCCCCCC(=O)N1CCO[C@H]2C[C@H]21 816900561 QEDCLNBXFUYWCD-CABCVRRESA-N 267.413 3.517 30 20 CHED FC(F)C(F)(F)CN1CCC[C@H](CC(F)(F)F)C1 817282308 YYLCTEGIAGIXHX-SSDOTTSWSA-N 281.215 3.551 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](CCO)CC1 817695243 NVNCDBOTXASWOA-INIZCTEOSA-N 283.456 3.748 30 20 CHED N#Cc1cc(F)cc(OCC[C@H]2CC2(Cl)Cl)c1 818088222 ZCCSDDOHCYYDEN-VIFPVBQESA-N 274.122 3.660 30 20 CHED Cc1cccc2c(C(=O)N(CCC#N)CC(C)C)coc12 819185672 QCQKTSGTEZTMCV-UHFFFAOYSA-N 284.359 3.753 30 20 CHED Cn1c(Cl)cnc1/C=C1/CCCc2ccccc2C1=O 834398385 HYBGYUSDEURSSX-XFXZXTDPSA-N 286.762 3.676 30 20 CHED COc1cccc(C)c1/C=C/C(=O)c1cnn(C(C)C)c1 834420443 HUHPLWGGBUAUBZ-CMDGGOBGSA-N 284.359 3.677 30 20 CHED CC(=NNc1c(C)cccc1Cl)[C@@H]1CCCO1 835012002 VJGBMQNBIZJAIZ-LBPRGKRZSA-N 252.745 3.615 30 20 CHED CC1(C)CCC[C@H](OC(=O)CCCCCC#N)C1 836162238 RQJFVHRDVJADIG-ZDUSSCGKSA-N 251.370 3.972 30 20 CHED C[C@H](NC(=O)C#CC1CC1)c1cc(Cl)ccc1Cl 837334306 IPXTXWPNNASYCI-VIFPVBQESA-N 282.170 3.584 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C(=O)C#CC(C)(C)C 837411208 DTZYLNPFAPFSMM-QGZVFWFLSA-N 271.404 3.892 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2nnc(CC)o2)CCCCC1 838151752 SYDUGHAYAABSIT-LBPRGKRZSA-N 292.379 3.763 30 20 CHED C=CC[C@@H](NC(=O)NC1(CC)CCCC1)c1ccncc1 838475934 CRIJPQWJFSYUAN-OAHLLOKOSA-N 287.407 3.721 30 20 CHED C[C@H](CCC#N)N1CCC(c2cccc(F)c2)CC1 839502096 BKRGJOWXMHLGRG-CYBMUJFWSA-N 260.356 3.697 30 20 CHED N#CC1(CCOC(=O)Cc2ccsc2)CCCCC1 840011070 JJFVOQQIBXWGNG-UHFFFAOYSA-N 277.389 3.698 30 20 CHED C#CC[C@H](NC(=O)N1CC(C)(C)C[C@H]1C)c1ccccc1 840331820 FAWBJXKUEQAUAJ-ZBFHGGJFSA-N 284.403 3.581 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)c(C)c1 840714280 SUWURKJFVAEUQP-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 841484016 QBFYDVVAMZAHHA-CHWSQXEVSA-N 268.470 3.584 30 20 CHED CCn1nc(C)c(CSCCCCC(C)(C)C#N)n1 842193246 WOGWXQQKGHCYEF-UHFFFAOYSA-N 280.441 3.560 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)[C@H](C#N)c1cc(C)nc(C)n1 842285007 ORPOSUJKWWEGLQ-JKSUJKDBSA-N 299.418 3.876 30 20 CHED N#C[C@H](COC(=O)C1CC2(CCC2)C1)Cc1cccs1 842746253 KLMWXFSTLJSRGQ-GFCCVEGCSA-N 289.400 3.554 30 20 CHED C=C[C@H](C)ON=C(C)c1ccc(SC)c(OC)c1 844625995 WPWJULNQQMEVMP-JTQLQIEISA-N 265.378 3.732 30 20 CHED C=CCCCC(=O)Nc1cnn(-c2ccc(C)cc2)c1C 845025112 JIZMNASBIXFMGI-UHFFFAOYSA-N 283.375 3.784 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CC[C@H](C)CC3)[nH]c12 845473433 JEVSGQAUYFHRSE-MRVWCRGKSA-N 295.386 3.874 30 20 CHED COc1cc(CNc2ccc3c(c2)C[C@H](C)O3)ccc1C#N 846755749 MZNQDWKTJAVKSG-LBPRGKRZSA-N 294.354 3.502 30 20 CHED N#CCC1(CNc2cccc(-c3nccs3)c2)CC1 846756135 QUMHWRYAEJALCB-UHFFFAOYSA-N 269.373 3.916 30 20 CHED C#C[C@H](CCC)NC(=N)Nc1ccc([C@@H](C)CC)cc1 849092942 MHERYLPSTQCQNX-DZGCQCFKSA-N 271.408 3.938 30 20 CHED C=CCCSCCNC(=S)Nc1cccc(C)c1 849277605 FHOOSDJGGYRDRT-UHFFFAOYSA-N 280.462 3.591 30 20 CHED CCOc1ccc(CNCc2cc(C#N)ccc2F)c(C)c1 850162622 UPJSKRMEXGQNNR-UHFFFAOYSA-N 298.361 3.694 30 20 CHED C=CCCCCC[C@H](C)NCc1c(C2CC2)cnn1C 850534472 KCGXTPNRCCROIJ-AWEZNQCLSA-N 275.440 3.912 30 20 CHED C=C[C@H](OC(=O)[C@@H]1CCCSC1)c1ccccc1 851451640 KGVSTMVKJZYRGN-KGLIPLIRSA-N 262.374 3.600 30 20 CHED C=C(C)[C@H](N[C@H]1CC[C@@H](OC)C1)c1ccc(F)c(F)c1 851945290 AILRTJLWNVZNQG-ZENOOKHLSA-N 281.346 3.739 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cc(C#N)ccc1F 854941725 KGZZVOUWWGZEMZ-UKRRQHHQSA-N 288.366 3.642 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(CF)cc1 857579832 ZVDYJCSNYBJGHG-UHFFFAOYSA-N 299.349 3.837 30 20 CHED CCC(C#N)(CC)C(=O)OCCCOC1CCCCC1 860493815 UDGTUAKZCMMBIF-UHFFFAOYSA-N 281.396 3.599 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 860870433 PLBOTIXGLPMRKL-WFGGJUAMSA-N 263.381 3.684 30 20 CHED C#C[C@H](OC(=O)c1scnc1CC)c1ccc(C)cc1 860964331 NGOFPIHWFHMUHF-AWEZNQCLSA-N 285.368 3.545 30 20 CHED FCCC[C@H]1CCCC1=NNCC(F)(F)C(F)(F)F 863182907 DGPATEMSOFSYDK-MRVPVSSYSA-N 290.251 3.679 30 20 CHED CC(C)c1ccccc1C=NNCC(F)(F)C(F)(F)F 863183007 HSWNHZYDDOBHEB-UHFFFAOYSA-N 294.267 3.931 30 20 CHED N#C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1F)C1CC1 870222391 YHLDIZLDFFXLEK-JTQLQIEISA-N 288.105 3.591 30 20 CHED C[C@@H](CCC#N)CNc1ccc(OC(F)F)c(F)c1 876825363 YZWSYCJVTUVUTF-VIFPVBQESA-N 272.270 3.779 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccccc1OC(F)F 878046162 RJGDCPDSTQRAQH-UHFFFAOYSA-N 283.318 3.507 30 20 CHED COc1ccc(CS[C@@H]2CC[C@H](C#N)C2)c(OC)c1 882306684 ISGKZJACQKQRFZ-SMDDNHRTSA-N 277.389 3.629 30 20 CHED N#CCC[C@@H](C#N)CSc1nc2cccc(F)c2s1 882349837 ZOAKYVMMIFPXHY-VIFPVBQESA-N 291.376 3.971 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1cc(C#N)ccc1F 888360242 FGULFPZCXFUMDX-NSHDSACASA-N 277.343 3.597 30 20 CHED C=CC(C)(C)Cc1nc(C2(OC)CCCCC2)no1 896384582 BYXCEYSQVPVWBJ-UHFFFAOYSA-N 264.369 3.630 30 20 CHED C=C(C)C(C)(C)c1nc([C@@H](C)OCC(F)(F)F)no1 896616454 QPTUVFKAXKKKIK-MRVPVSSYSA-N 278.274 3.563 30 20 CHED C=C1CCC(C(=O)Nc2cccc3c(O)nccc23)CC1 897908331 HRZOMYWIWVUJCU-UHFFFAOYSA-N 282.343 3.625 30 20 CHED CCc1onc(C)c1/C=C1\CCc2cc(C#N)ccc2C1=O 899360708 ODDJINXPDVLPNO-NTEUORMPSA-N 292.338 3.630 30 20 CHED Fc1cc(F)c(NN=C2CC(C(F)F)C2)c(F)c1 901320310 ALTUSTRCFMOUML-UHFFFAOYSA-N 264.197 3.547 30 20 CHED Cc1cc(C#N)cc(NCc2cnc(C(C)(C)C)s2)n1 902225846 ZVLCHMSQYJUAMR-UHFFFAOYSA-N 286.404 3.628 30 20 CHED C=CCC[C@@H](C)NCc1ccc(-c2cnco2)cc1 906526191 RNYUCEYPIXZQLS-CYBMUJFWSA-N 256.349 3.786 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2ccsc2C#N)C1 906860949 XEBHCKBTHOFHHM-HNNXBMFYSA-N 276.405 3.662 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccsc1C#N 908225191 OAHLZEQUPGNVAM-NEPJUHHUSA-N 290.432 3.907 30 20 CHED CC(C)[C@@H]1N(C(=O)c2ccsc2C#N)CC12CCCC2 909436934 COTLXQRQHDLGLD-AWEZNQCLSA-N 288.416 3.661 30 20 CHED C=CCN(C(=O)c1csc2ccccc12)C(C)C 915153017 AJDMXWBBHFOVBG-UHFFFAOYSA-N 259.374 3.938 30 20 CHED CCOc1ccc(C(C)=NNc2ccc(C#N)cc2)cc1 915961529 AKVSJTIXPTWXKM-UHFFFAOYSA-N 279.343 3.793 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1ccc(F)cc1 915975097 OCWIMDXUURNNPG-UHFFFAOYSA-N 278.277 3.618 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)cc1C 915988463 XAZLQZIYEXVHIL-JXMROGBWSA-N 294.350 3.827 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 916248040 GVKFHFRFLCICJD-UHFFFAOYSA-N 291.257 3.709 30 20 CHED COc1ccccc1C=NNc1cccc(Cl)c1 916269331 GTNUVKHVFZVMIO-UHFFFAOYSA-N 260.724 3.795 30 20 CHED Cc1cc(C)cc(NN=Cc2c(C)nc3sccn23)c1 916346539 HOHUFBBOOMACFR-UHFFFAOYSA-N 284.388 3.767 30 20 CHED C=CCN(C(=O)Nc1nc2c(s1)CCCCC2)C(C)C 916707546 SMEPEVNCZSVEFF-UHFFFAOYSA-N 293.436 3.840 30 20 CHED CC[C@H](OC(=O)CSCC#N)c1ccc(Cl)cc1 920843214 ZCNWBMFVQPPWSS-LBPRGKRZSA-N 283.780 3.591 30 20 CHED C[C@H](NCCSCc1ccccc1C#N)C1(Cl)CC1 924812721 WSAQWWQQKCWPIN-LBPRGKRZSA-N 294.851 3.541 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccccc1-c1cnn(C)c1 925647813 IDNGPBBTKGHPGC-AWEZNQCLSA-N 296.418 3.505 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H](O)c1cccc2ccccc12 926692168 GGVWTBUBACOTKG-RDTXWAMCSA-N 296.414 3.791 30 20 CHED C#CCN(C(=O)Nc1c(CC)cccc1CC)C(C)C 929215161 LZFPHISWWHONOI-UHFFFAOYSA-N 272.392 3.687 30 20 CHED N#CC1(CCCCN2CC[C@H](c3ccco3)C2)CCC1 929617808 KSRNNBUSNCKMDW-HNNXBMFYSA-N 272.392 3.933 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@@H](C=C)CC 929695296 DMGZEUGMZBSTQL-ZDUSSCGKSA-N 263.406 3.865 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](CCC)c1ccccn1 931982602 QXTZNARDMSGLTI-DZGCQCFKSA-N 260.381 3.641 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 933001844 CCDXPECDRGDAQL-UKPHBRMFSA-N 282.387 3.660 30 20 CHED Cc1cccnc1CN1CCC(c2ccc(C#N)cc2)CC1 1119944842 ACPFAQWJLHTINA-UHFFFAOYSA-N 291.398 3.641 30 20 CHED CC(C)C[C@@H]1C[C@H](Nc2cc(C#N)cc(Cl)n2)CCO1 1120833523 PBNIEPRWENWFDP-CHWSQXEVSA-N 293.798 3.612 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1ccc2c(c1)oc1ccccc12 1129309480 OFJBEFXHFNLSMJ-NSHDSACASA-N 278.311 3.570 30 20 CHED N#Cc1cnc(N[C@H]2CCC[C@@H]2Cc2ccccc2)c(F)c1 1162585039 XMMFCUMSIFWNML-WBVHZDCISA-N 295.361 3.916 30 20 CHED Cc1cc(CN2CC[C@@H]3CCCC[C@H]3C2)ccc1C#N 1180404701 XEQKOCQIRXVIRU-WMZOPIPTSA-N 268.404 3.879 30 20 CHED C[C@H]1N(c2ccnc(C#N)c2)c2ccccc2C1(C)C 1187034874 PIEXEGBLWKRVAB-GFCCVEGCSA-N 263.344 3.771 30 20 CHED N#Cc1ccc(CN2CCCc3cc(F)ccc32)s1 1191711752 OGOWDYPNDPRFKA-UHFFFAOYSA-N 272.348 3.712 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C)CCC1CC1 1205348085 VKNYQTCEFLEVGJ-LBPRGKRZSA-N 258.365 3.948 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2sccc2C#N)C[C@H]1C 1219354786 RVCWSAGSWONXKL-CKYFFXLPSA-N 277.393 3.566 30 20 CHED C[C@H](OC(=O)C1(C(C)(F)F)CC1)c1ccc(C#N)cc1 1261777404 CAMHEYCNHRSXFQ-JTQLQIEISA-N 279.286 3.598 30 20 CHED C=C1CCC(C(=O)OCc2ccc(C(C)=O)cc2)CC1 1262075238 NKLVADUMOFURNH-UHFFFAOYSA-N 272.344 3.679 30 20 CHED CC(C)(CNC(=O)c1csc(C#N)c1)C1CCCCC1 1266324462 IZNWFTXAGAIULF-UHFFFAOYSA-N 290.432 3.956 30 20 CHED C[C@@H](CC#N)NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1318736736 NVYZJJDQUAUICR-VIFPVBQESA-N 299.201 3.689 30 20 CHED C=C[C@@H](COC)N[C@@H](CC)c1cccc(Cl)c1 1320306120 MNMINUIINSOJFS-KBPBESRZSA-N 253.773 3.582 30 20 CHED N#CCc1cccc(NCCc2ccc3ccccc3c2)n1 1321329321 UZVSKUNJKFTELX-UHFFFAOYSA-N 287.366 3.955 30 20 CHED Clc1ccc(NN=Cc2nc(-c3ccccc3)c[nH]2)cn1 1329988590 FDTCMKKUMGTMBW-UHFFFAOYSA-N 297.749 3.571 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2csc(C#N)c2)C1 1331804401 VEZWKKYJGBKUFM-UHFFFAOYSA-N 276.405 3.661 30 20 CHED Cc1ccc(-c2nnc(CC(C)(C)C)o2)cc1C#N 1333123164 YJHWQUISAIBQID-UHFFFAOYSA-N 255.321 3.505 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2C2CCOCC2)c(Cl)c1 1333738024 WMDLLMPIKLORCB-OAHLLOKOSA-N 290.794 3.607 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N(CC)C(C)C 1342114043 IOAWFSKNGXYVPF-LBPRGKRZSA-N 282.457 3.513 30 20 CHED CC(C)(C)C#CC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 1348037166 BRYQWGRVMKTYSH-YLJYHZDGSA-N 295.426 3.964 30 20 CHED C[C@H](C(=O)N(c1ccccc1C#N)C1CCC1)c1ccco1 1350242178 QUBPTXHZQIYUAC-ZDUSSCGKSA-N 294.354 3.840 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CCC[C@H](c3ccccc3)C2)n1 1472777280 RXXRJVRQYIJYBK-JKSUJKDBSA-N 292.386 3.795 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc2ccncc2s1 1474401902 XPMLGIGSVXSDSG-UHFFFAOYSA-N 293.395 3.800 30 20 CHED Cc1cccc(OC(=O)c2cccc(C#N)c2C)c1F 1516800881 ARYFWAUJWWQOJQ-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C(F)F)n1CC(C)C 1525001092 KQZFNMIWGFXXOS-GFCCVEGCSA-N 298.381 3.807 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C(C)=O)cc1 1526676207 IFJVSUHFVDHKRU-MRXNPFEDSA-N 286.375 3.852 30 20 CHED CCOc1cccc(CCC(=O)Nc2cccc(C#N)c2)c1 1530019938 DJPRTQBYIZGTGQ-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C=C(Cl)CSc1nc(O)c2ccc(Cl)cc2n1 1559373329 GOXOQJQTPDUWNF-UHFFFAOYSA-N 287.171 3.833 30 20 CHED COC(=O)[C@@H](Sc1ccc(C#N)c(C)c1)c1ccccc1 1559429262 MLIKRHUWYNOOPV-INIZCTEOSA-N 297.379 3.873 30 20 CHED C=CCC[C@H](CCC)NCC1(C(=O)O)CCCCC1 1588778163 VRJNYYRRRDWOKL-AWEZNQCLSA-N 267.413 3.746 30 20 CHED CC[C@H](C#N)N(CC)C(=O)C(CC(C)C)CC(C)C 1611394430 RJJIBBDBXDYAEH-OAHLLOKOSA-N 266.429 3.845 30 20 CHED CCC1(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 1621106503 DZDUJBQJEWKFAV-UHFFFAOYSA-N 297.185 3.785 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC(C(C)(C)C)CC1 1638662920 SYZSIACUBHYVRQ-UHFFFAOYSA-N 284.403 3.765 30 20 CHED Cc1cccc(C2=CCN(c3ccnc(C#N)c3)CC2)c1C 1640517563 OIIKXVGYNOVXDZ-UHFFFAOYSA-N 289.382 3.864 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CCC[C@H](C)C1 1652159088 UCZOPQZFQQNFAI-GXTWGEPZSA-N 258.365 3.948 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NCc1ccc(F)cc1C#N 1658910331 VGJWQDWZUCMNQO-MLGOLLRUSA-N 260.356 3.756 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)c2cccc(C)c2)c1 1670905432 DCZGEVDXNXFWJU-UHFFFAOYSA-N 279.343 3.843 30 20 CHED Cc1cccc2[nH]c(C=NNc3ccccc3C(=O)O)cc12 1776031213 SPBGBCXFIGRLOW-UHFFFAOYSA-N 293.326 3.621 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)[C@H](C)CC(C)C 1776051642 UMEWHOSCXLQKQG-LLVKDONJSA-N 292.379 3.863 30 20 CHED CC(CCCCCCC(=O)O)=NOCCC1CC1 1776068598 LJBCTPWSWLNIMB-UHFFFAOYSA-N 255.358 3.604 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc([C@@H](C)CC)cc1 1776148279 BXJGNEOCACPIGH-XJKSGUPXSA-N 275.392 3.709 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H](C)CC(C)(C)C)CC1 1776159594 MQQOMXSTCAFGQJ-AWEZNQCLSA-N 281.440 3.802 30 20 CHED CCc1ccc(/C=C\C(=O)c2cccc(C(=O)O)c2)s1 1776968895 HPMUZWNDBVMTFT-HJWRWDBZSA-N 286.352 3.905 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1F 103717041 PZSWYLUKPVPUHA-WEVVVXLNSA-N 265.287 3.902 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccc(C#N)cc2)c(F)c1 52021459 OCONAXKJXBWQLD-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CC[C@H](CC(=O)N[C@@H](C#N)c1ccccc1F)C(C)C 108798788 ZRJBRGLYTBRPAC-DOMZBBRYSA-N 276.355 3.579 30 20 CHED CC1(C)CCC/C(=C\c2c[nH]nc2C(C)(C)C)C1=O 177021257 UQUZDWIPTIUAMR-PKNBQFBNSA-N 260.381 3.870 30 20 CHED CCN(C(=O)C[C@H]1C=CCC1)[C@@H](C)c1ccc(C#N)cc1 58712890 VAWDEXYKQISEGT-GJZGRUSLSA-N 282.387 3.824 30 20 CHED N#CC1(COc2ccc(OCC(F)(F)F)cc2)CCC1 418901898 MGLQZZJANXDAJH-UHFFFAOYSA-N 285.265 3.700 30 20 CHED C=CCOc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1 56516912 NKDGEDOHVQIUFB-UHFFFAOYSA-N 293.326 3.767 30 20 CHED C=CCCC(=O)Nc1cccc(NC(=O)CCC)c1C 102240941 NKGGXKGBGZCGKQ-UHFFFAOYSA-N 274.364 3.638 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 116937009 FLDOSEJZDCLTDZ-MNOVXSKESA-N 298.333 3.613 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 58577305 UDQWTQXLPXOXHS-FHLIZLRMSA-N 268.404 3.959 30 20 CHED CCC(CC)CC(=O)Nc1sc2c(c1C#N)CCC2 177094874 ALPYOLBOCWPGGP-UHFFFAOYSA-N 276.405 3.873 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(OC)c(-c2ccccc2)c1 176016597 HRFRNCPOVMPBON-OAHLLOKOSA-N 295.338 3.821 30 20 CHED N#Cc1ccc(Oc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 117826506 YUQBSZGCHOTADZ-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(F)c(Cl)c1F 182780947 UTPWNKAGVZGQIG-UHFFFAOYSA-N 273.710 3.656 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OCCC(C)C 121371874 VTXDNTLXWKUNNZ-CQSZACIVSA-N 295.448 3.714 30 20 CHED N#CCc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1 171524314 RSHLCSOAHLDKOQ-UHFFFAOYSA-N 286.281 3.943 30 20 CHED Cc1ccnc(NCCSCc2ccccc2C#N)c1 178039523 NNTVGHKJMZDRAV-UHFFFAOYSA-N 283.400 3.607 30 20 CHED C=CCOc1ccc(OC(=O)c2ccncc2Cl)cc1 73138682 YGIRKBSHAOEVAN-UHFFFAOYSA-N 289.718 3.519 30 20 CHED N#Cc1ccc(NCCCNc2ccccc2)c(F)c1 302761557 XMJQATPRNSXTNJ-UHFFFAOYSA-N 269.323 3.611 30 20 CHED C[C@H](OC(=O)[C@H]1CC=CCC1)c1ccc(C#N)cc1 175806248 HGFSISXUWPYHTJ-WFASDCNBSA-N 255.317 3.519 30 20 CHED Cc1cccc(CCC(=O)Nc2cccc(CC#N)c2)c1 313443978 MOKKTNLSMGMINS-UHFFFAOYSA-N 278.355 3.632 30 20 CHED C=CC[C@H](C)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 252784785 ULBXPCXNRSNGPI-KKUMJFAQSA-N 296.455 3.624 30 20 CHED CC(C)(C#N)CCCN1CCc2c(F)cc(F)cc21 174821478 ZOACFYTVVANVPD-UHFFFAOYSA-N 264.319 3.657 30 20 CHED N#Cc1ccc(NC[C@H]2CCCS2)c(Br)c1 120098422 OALLQBJDAVAJRQ-SNVBAGLBSA-N 297.221 3.628 30 20 CHED CN(CCCCC#N)CCc1ccc(Cl)cc1 172079475 BTHCZWFZSJZYJJ-UHFFFAOYSA-N 250.773 3.508 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1ccc(Cl)cc1 120217152 GPHRYGOFEMSPRE-NEPJUHHUSA-N 282.767 3.925 30 20 CHED CC(C)c1nc(CCNc2ccc(C#N)cc2F)cs1 301195096 UCAZNGDQNHWZHT-UHFFFAOYSA-N 289.379 3.932 30 20 CHED CC[C@H](C)[C@@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 79824867 HQLVUGGAKXMMPT-ZMSDIMECSA-N 284.403 3.578 30 20 CHED CC(C)SCCNc1ccc(C#N)cc1Br 304268720 KFZTWXISJXAZJE-UHFFFAOYSA-N 299.237 3.874 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CC)c1ccc(F)cc1F 126924972 IHLRXVCZUZCDTR-QMTHXVAHSA-N 282.334 3.680 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cccc([N+](=O)[O-])c1C 303959902 YZECXZOJZFDZJG-UHFFFAOYSA-N 296.326 3.971 30 20 CHED CCO[C@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 301167049 IIJAUVGRASLRRW-LBPRGKRZSA-N 298.308 3.582 30 20 CHED CC(C)(C#N)NC(=O)Cc1cc2c(ccc3ccccc32)o1 128356903 SVZREBKJFXLSDK-UHFFFAOYSA-N 292.338 3.547 30 20 CHED N#Cc1cc(F)ccc1COc1cnc2ccccc2c1 187906334 ARDDLXCZNIFGQO-UHFFFAOYSA-N 278.286 3.825 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2)s1 37748315 CGAQXRUWZMAQLB-GFCCVEGCSA-N 256.374 3.779 30 20 CHED COc1ccccc1[C@@H](CC(C)C)Nc1ccc(C#N)nn1 302005010 SFSHPHDNHOLLTI-OAHLLOKOSA-N 296.374 3.556 30 20 CHED CCSCc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 125467904 BOLOCLOXFZBUQH-HNNXBMFYSA-N 296.395 3.825 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 301672467 AJQLCOHVKXMGHA-NUJGCVRESA-N 278.330 3.695 30 20 CHED CCCc1ncc(C(=O)NC(C#N)(CCC)CCC)s1 121530820 XYGTXDBKUWKAOC-UHFFFAOYSA-N 293.436 3.688 30 20 CHED Cc1ccccc1[C@H](C)NCc1cccc(OCC#N)c1 37220738 SKKHQCCJTTYBGS-HNNXBMFYSA-N 280.371 3.748 30 20 CHED N#CCCCN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 414107108 JNLVHTXNHPRINH-HIFRSBDPSA-N 262.784 3.869 30 20 CHED C[C@H]1SCCN(Cc2ccc(Cl)cc2C#N)[C@@H]1C 187056872 YWTGJPYXAZDPPE-GHMZBOCLSA-N 280.824 3.537 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1cccc(C#N)c1 73629850 LYKZZWOMVPEJAT-PBHICJAKSA-N 299.418 3.668 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CCc1c[nH]c2ccccc12 502454943 IYEPQJVQJVKEHX-GOSISDBHSA-N 297.402 3.545 30 20 CHED N#Cc1cc(N2CCC3(CCCC3)CC2)ccc1[N+](=O)[O-] 127978890 FOWDIXSXQPWORI-UHFFFAOYSA-N 285.347 3.627 30 20 CHED CC(C)[C@@H](C)SCC(=O)Nc1cc(Cl)ccc1C#N 79081529 FUCVPSYEWFZKID-SNVBAGLBSA-N 296.823 3.928 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(Oc2ccccc2)cc1 183922711 FMJIXVBFOWITFP-HNNXBMFYSA-N 294.354 3.901 30 20 CHED C=C(C)[C@H](N[C@@H]1COC(C)(C)C1)c1ccc(F)c(F)c1 418016497 WXCYMIVRBYCTPJ-WFASDCNBSA-N 281.346 3.739 30 20 CHED CC(C)(CNc1c(Cl)cccc1C#N)c1cccnc1 413583228 HPTQAROURVELES-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCc1c[nH]c2c(C)cccc12 410826110 HJQCOKJJRIWYIV-HNNXBMFYSA-N 297.402 3.560 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](c2ccccc2)C1 181423688 NIQYMHFWKFDWOD-NVXWUHKLSA-N 286.419 3.930 30 20 CHED Cc1ccccc1Sc1c(C#N)nnc2ccccc12 77192869 GKFUZVKQZDGGPU-UHFFFAOYSA-N 277.352 3.961 30 20 CHED N#C[C@H]1CCC[C@@H](NCC2(c3ccc(F)cc3F)CC2)C1 185872560 ZDQSAZOQUODXCA-GXTWGEPZSA-N 290.357 3.668 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1 70198523 CJKHUJMDIHKKBZ-OAHLLOKOSA-N 290.288 3.951 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(Cl)cn1C 189921818 GVZJAXZPDBUZSB-LBPRGKRZSA-N 287.794 3.743 30 20 CHED COC(=O)Nc1ccc(NCC(C)(C)CCC#N)cc1F 181592475 WCAKGDZKIDSQHV-UHFFFAOYSA-N 293.342 3.746 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(CC)Cc1ccccc1C 188125788 JMIKZXQCSAXNLP-SFHVURJKSA-N 289.419 3.572 30 20 CHED C=C(C)CN(C)C(=O)Cc1coc2cc(C)c(C)cc12 180427067 GCUFTQKXFXPASW-UHFFFAOYSA-N 271.360 3.627 30 20 CHED Cc1cc(OCC2(C#N)CCC2)c2nc(C)ccc2c1 419006053 ZYLISWJQNYCCLV-UHFFFAOYSA-N 266.344 3.924 30 20 CHED COc1cc(C#N)ccc1OCC1CCC(F)(F)CC1 412987110 VQSDZMQGVMGNQT-UHFFFAOYSA-N 281.302 3.771 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 135018887 RQIJMHCSAFKLCJ-KRWDZBQOSA-N 286.375 3.502 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)ccc1Cl 503488623 BMDVRPICKFGGLP-QMTHXVAHSA-N 276.767 3.520 30 20 CHED CCN(C(=O)c1occc1C)[C@@H](C)c1ccc(C#N)cc1 45500465 LYLLEDQMMDPRGL-ZDUSSCGKSA-N 282.343 3.683 30 20 CHED C=CCCS[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O 419422104 LTTMEUSJNMANHE-SWLSCSKDSA-N 293.407 3.797 30 20 CHED C#Cc1cccc(NCc2ncc(-c3cccs3)o2)c1 72911308 RRMPSXLRGWIWCR-UHFFFAOYSA-N 280.352 3.997 30 20 CHED C[C@@H]1CCCC[C@@H]1OCC(O)=Nc1ccc2nc[nH]c2c1 329258096 CEODGYQVFQEJCW-ABAIWWIYSA-N 287.363 3.746 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)c(O)c1 500612749 VUWGANUHNDYCBW-UHFFFAOYSA-N 261.365 3.519 30 20 CHED COC1(CCSCc2cccc(C#N)c2)CCC1 419494483 PTBQJYVVCYEEKY-UHFFFAOYSA-N 261.390 3.751 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1nccnc1C 414311941 ZBOVOZISVJUBPA-DOTOQJQBSA-N 281.403 3.623 30 20 CHED N#Cc1ccc(Cl)cc1N1CC[C@H](c2ccco2)C1 609893344 GTYHONDTDANIDY-LBPRGKRZSA-N 272.735 3.799 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 132549556 RTCNBZACZGSSQK-CABCVRRESA-N 275.779 3.644 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H]1OCCc2ccccc21 80119470 KYIJHZFEVQVLFZ-KRWDZBQOSA-N 298.773 3.938 30 20 CHED C[C@@H](SCCOCC(F)F)c1ccc(C#N)cc1 190041147 OYVKHIJONLJOSQ-SNVBAGLBSA-N 271.332 3.634 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 612314983 SOTBOUHSJBNJMF-CQSZACIVSA-N 295.745 3.637 30 20 CHED CC(C)(C(O)=Nc1scnc1C1CC1)c1cccnc1 329242355 OGANOPNEYFDVEX-UHFFFAOYSA-N 287.388 3.981 30 20 CHED C=CC[C@H](C(=O)N(CC=C)CC=C)c1ccccc1 193123836 MPVXJVBCCAIHOF-INIZCTEOSA-N 255.361 3.547 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)C1 329576595 SIDKRCFAHISIKC-RWMBFGLXSA-N 298.452 3.906 30 20 CHED N#Cc1cccc(NCc2nc3ccc(F)cc3s2)c1 428858724 XIJPCAYTULBOIF-UHFFFAOYSA-N 283.331 3.919 30 20 CHED CC[C@H](/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1)c1c(C)noc1C 329016349 KESVFLXEZCPELO-WQAKAFBOSA-N 292.379 3.704 30 20 CHED CCC[C@@H](C)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 89631925 ZWGVWNSYMRTDNR-HIFRSBDPSA-N 290.407 3.654 30 20 CHED CCCN(c1cncc(C#N)n1)[C@@H](CC)c1ccccc1 420582804 JLRKBWKRKZGBPW-INIZCTEOSA-N 280.375 3.716 30 20 CHED C[C@@H]1CC[C@H](N(C)C(=O)N[C@H](CCC#N)c2ccccc2)C1 428962477 AMLDQLOKUATFLF-HYVNUMGLSA-N 299.418 3.861 30 20 CHED C=CCCC(=O)Nc1ccc2c(c1)C(=O)CCCC2 421711708 BWULGJFSFLYTMS-UHFFFAOYSA-N 257.333 3.500 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1CC1CCCCC1 331443619 NTNSVIFKMNBAOY-INIZCTEOSA-N 299.418 3.770 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2ccc(C#N)cc2)C1 534429564 BYJXJCUBASANHI-CYBMUJFWSA-N 256.349 3.713 30 20 CHED C=C[C@H]1CCCCN1c1nc(C(C)(C)C)ccc1C#N 618687078 FWYVKFYJXISQTA-AWEZNQCLSA-N 269.392 3.796 30 20 CHED C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 334525600 KNNOHBDHRNVECF-JQWIXIFHSA-N 276.767 3.781 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1/N=C(/O)C(=O)c1ccc(O)cc1 331245257 RJPMTUMHQUKNJH-BXUZGUMPSA-N 289.375 3.746 30 20 CHED CC#CCN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 510451682 AWOXWUDRBIVLGX-NSHDSACASA-N 293.235 3.504 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H](C)[C@H](C)CC 98120998 XJUICQOGEBWCFL-CHWSQXEVSA-N 280.437 3.880 30 20 CHED CCOc1cc(Cl)ccc1CNc1cccc(C#N)n1 339218892 PBFPGUMMFKGHDX-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC(C)CCOc1ccc(CN(C)[C@H](C)CC#N)cc1 93090911 YLOKLBYDFAFNPU-OAHLLOKOSA-N 274.408 3.845 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc(C(C)C)nc1 336550671 JYUBKSIYDYHZBB-UHFFFAOYSA-N 279.343 3.637 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2(Cc3ccccc3)CC2)n1 92693661 BBAXAUVWGQFWSA-CQSZACIVSA-N 296.395 3.651 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 249047593 FHFUXOFNFSGLGV-UWWQBHOKSA-N 271.404 3.993 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)CC1=CCCCC1 341700508 ACRVYULUVMOUKU-UHFFFAOYSA-N 285.391 3.944 30 20 CHED CSCCCCCCNc1nc(C)ccc1C#N 182098808 CMSNXMCRAGKUMD-UHFFFAOYSA-N 263.410 3.597 30 20 CHED CC[C@H](NCC(C)(C)CCC#N)c1ccc(C#N)cc1 348202638 AQRFBIUZNFXNCG-INIZCTEOSA-N 269.392 3.929 30 20 CHED CC1CCC(O)(COc2ccc(C#N)c(Cl)c2)CC1 438851802 ZJHGYTJVLFKTLK-UHFFFAOYSA-N 279.767 3.532 30 20 CHED C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 246309575 YCJQAIFRKSTINR-BVGQSLNGSA-N 292.382 3.704 30 20 CHED CC1(C)CN(c2ccc(C#N)cn2)[C@@H]1c1ccccc1 604323408 YRIXYXIWUUOLDW-MRXNPFEDSA-N 263.344 3.541 30 20 CHED CC[C@H](Nc1cc(C#N)ccn1)c1cc(F)ccc1F 342363439 ABIHVKATNSGYGY-AWEZNQCLSA-N 273.286 3.795 30 20 CHED CCS[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1 248830150 MJZFJVAOPGTHRE-APIJFGDWSA-N 266.454 3.723 30 20 CHED C=CC[C@@H]1N(C(=O)CSC(C)C)CCCC1(C)C 521717769 HCIGVKAHLADXOT-ZDUSSCGKSA-N 269.454 3.721 30 20 CHED N#Cc1ccc(S[C@H]2CCO[C@H](c3cccnc3)C2)cc1 600520297 ILPPXKDOJBQQRY-IRXDYDNUSA-N 296.395 3.966 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@@H](C)c1ccccc1 432359299 SEDMZOOPIKSLJQ-CQSZACIVSA-N 274.408 3.692 30 20 CHED C=CC[C@@H]1N(C(=O)c2cocc2C)CCCC1(C)C 529186493 KLFKZRIRXDZTLP-AWEZNQCLSA-N 261.365 3.795 30 20 CHED N#Cc1ccc(/C=C\c2cccc(OC(F)F)c2)nc1 255499705 HKXFPIFKNIGODB-XQRVVYSFSA-N 272.254 3.725 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2C)c1 255469574 NDTBHKSDEMBHQA-KTKRTIGZSA-N 297.310 3.808 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCCC2(CCC2)C1 348182262 QBWIJUCFJGXASK-UHFFFAOYSA-N 274.795 3.978 30 20 CHED COc1cc(C(C)=O)ccc1OCc1ccc(CC#N)cc1 342502035 FJLREWQVPYZCIH-UHFFFAOYSA-N 295.338 3.543 30 20 CHED CC#CCN1CCC[C@H]1c1cccc(Br)c1 607724160 OOERFSJKUDMCML-AWEZNQCLSA-N 278.193 3.609 30 20 CHED Cc1cc(CN(C)Cc2ccccc2C#N)ccc1F 444733680 MBUCOKKTXYPGPE-UHFFFAOYSA-N 268.335 3.638 30 20 CHED N#Cc1ccc(CSc2ccc(C#N)cc2F)cc1 525503477 SNKUCPQBQPHNAT-UHFFFAOYSA-N 268.316 3.861 30 20 CHED Cc1nc2ccccc2cc1C(=O)NCC(C)(C)CCC#N 345995274 LGJLRPVBUPKWFC-UHFFFAOYSA-N 295.386 3.603 30 20 CHED C[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl 341505148 AAOHTRABRDZEHR-XUJVJEKNSA-N 288.778 3.623 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCCc2ccc(F)cc21 602638565 PMSUSOIOIFDAAR-LRDDRELGSA-N 260.356 3.733 30 20 CHED CCc1cccc2c(CCN[C@@H]3CC[C@@H](C#N)C3)c[nH]c12 442774543 ANXSPZJVQCIHRI-CZUORRHYSA-N 281.403 3.555 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)CCc1ccccc1 539602223 CMKXKAVKHOXZJA-GOEBONIOSA-N 274.408 3.662 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2N)C1 602704615 BHIZMDRPZCGQFT-JTQLQIEISA-N 298.217 3.701 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccnn1C1CCCC1 449286515 HTPYDGAAGKXLDB-CQSZACIVSA-N 259.397 3.539 30 20 CHED C[C@H]1CCN(Cc2ccccc2C#N)CC12CCC2 357018703 BAZYIXVGLGWHAR-AWEZNQCLSA-N 254.377 3.570 30 20 CHED CC(C)CSCCCOc1cccc(F)c1C#N 533674863 CWKDPYFENRMNJL-UHFFFAOYSA-N 267.369 3.855 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CC=CC[C@@H]1C 354084340 QNIMGYXSUNGEKU-JSGCOSHPSA-N 283.375 3.531 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@H]1C1CCC1 350742072 TXGIAGJWKRYQPU-HNNXBMFYSA-N 286.423 3.501 30 20 CHED N#Cc1ccc(CN(C2CCCCC2)C2CC2)cc1F 616748544 RLSLRABRDSPXOW-UHFFFAOYSA-N 272.367 3.994 30 20 CHED COc1ccc2c(c1)[C@H](N[C@H](C)c1cccc(C#N)c1)CC2 610829984 VRSTZQYOGIBKMG-BFUOFWGJSA-N 292.382 3.905 30 20 CHED C=CCCN(C)C(=O)c1nc2ccccc2cc1Cl 355954993 MIIQVZGCOHCLSJ-UHFFFAOYSA-N 274.751 3.536 30 20 CHED C=CCCCC[C@H](C)NCc1cccc(C(=O)N(C)C)c1 449077331 VOVNULZSRGXMHZ-HNNXBMFYSA-N 288.435 3.613 30 20 CHED CC[C@H](CC#N)NC/C(C)=C/c1ccccc1COC 352917374 WWICSHDEZDUJIQ-GWKQRERASA-N 272.392 3.518 30 20 CHED COc1c(Cl)cc(NC(=O)C2(C#N)CCC2)cc1Cl 265527380 OLYQVJUGJSJBIR-UHFFFAOYSA-N 299.157 3.634 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(F)cc2C#N)C1(C)C 610577738 CXVKYXXDUUKDCW-ZFWWWQNUSA-N 286.350 3.874 30 20 CHED Cc1nccc(N(C)Cc2ccc(C#N)cc2)c1Cl 350286226 KWFZOFHGHSMUCS-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CCCCc1nc(-c2ccc(OCCCC#N)cc2)no1 269131796 LZRMGUNZXSEACZ-UHFFFAOYSA-N 285.347 3.762 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(Cl)c1)C1CC1 537861857 GHRGANCBUNLMGH-UHFFFAOYSA-N 264.756 3.831 30 20 CHED CC1CCC(N[C@H]2CCc3ccc(C#N)cc32)CC1 353268256 QWZCQSFGUMSJDW-QOJXUVEWSA-N 254.377 3.714 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)cc1 618741985 OEYUOPPFRISSLH-QGZVFWFLSA-N 282.774 3.989 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc(C#N)c(Cl)c1 619766798 GQFJOBPTNSNZJH-DGCLKSJQSA-N 290.794 3.654 30 20 CHED N#Cc1ccc(NCCCCc2ccc([N+](=O)[O-])cc2)cc1 610076572 VCEOWVPMBHCHQW-UHFFFAOYSA-N 295.342 3.901 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1CCC(C)C)OCC 534452404 UADLGMZJODFUTH-HZPDHXFCSA-N 281.440 3.785 30 20 CHED CCC[C@H](Nc1nccc(C)c1C#N)c1ccccn1 612079454 KRXHCBIOELLHAT-HNNXBMFYSA-N 266.348 3.610 30 20 CHED CC(C)Sc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1 459485122 SZNSZODRGAHJPS-GOEBONIOSA-N 274.433 3.969 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(CCSC)cc1 454691974 RCVMDAXMZVHUFT-UHFFFAOYSA-N 278.421 3.680 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@H](Oc2ccccc2)C1 365444633 SUOGHFKOSVIGAD-QGZVFWFLSA-N 286.419 3.860 30 20 CHED CN(Cc1ccc2ccccc2c1)Cc1cc(C#N)n(C)c1 361492964 OAGMQUOXJZJKAH-UHFFFAOYSA-N 289.382 3.682 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1cccc(C#N)c1F 540350541 RNKNJCQLTBOJKE-GFCCVEGCSA-N 298.336 3.956 30 20 CHED CC(C)c1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 273632569 ATIKUQMXCMMFRB-UHFFFAOYSA-N 267.332 3.805 30 20 CHED N#C[C@@H]1CCC[C@@H](NC2(Cc3ccc(F)cc3)CC2)C1 453333190 BEJXTNBPWRPLOT-GDBMZVCRSA-N 272.367 3.573 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 362611848 FWOJONYUWUQQEB-SNVBAGLBSA-N 285.347 3.654 30 20 CHED Cc1nc(N[C@H]2CC(C)(C)OC2(C)C)c(Cl)cc1C#N 360081732 HFVWXGRAZLUQMZ-LBPRGKRZSA-N 293.798 3.673 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)Nc1ccc(CC#N)cc1 454347580 SUYWLULFVCPZGU-AWEZNQCLSA-N 285.391 3.700 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H](OCC)C1CC1 626908387 DBZNSHFIGCXEEW-INIZCTEOSA-N 273.376 3.559 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)C1 628062400 FHQNEQQRHJUOQC-WBTNSWJXSA-N 261.409 3.627 30 20 CHED Cc1cc(N2CCC(CC#N)CC2)c2cc(F)ccc2n1 543791955 PJSXBOIZABTVMX-UHFFFAOYSA-N 283.350 3.812 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H]2SCC)CCCC1 450090092 UDWYZYOWROCLER-KGLIPLIRSA-N 281.465 3.913 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(OCc2nccn2C)cc1 453373568 SVEGSWVDAFJBGH-OAHLLOKOSA-N 299.418 3.616 30 20 CHED C=C(C)CCNC(=O)C[C@H](C)c1ccc(F)cc1F 452717234 KPQQTWKADQEDHL-NSHDSACASA-N 267.319 3.541 30 20 CHED C=CCC1(NC(=O)C[C@H](C)c2ccco2)CCCC1 628112116 GYSZAUNRNCCSDT-ZDUSSCGKSA-N 261.365 3.778 30 20 CHED C=CC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)C1 628484366 LEJORHMMMQBBLN-YUELXQCFSA-N 289.806 3.868 30 20 CHED N#Cc1cc2c(nc1S[C@H]1CC[C@H](C#N)C1)CCCC2 278511765 FHDLPTYOSNRRDG-FZMZJTMJSA-N 283.400 3.616 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(CC#N)cc1 273660966 XZBJLUBLABTEBJ-UHFFFAOYSA-N 296.418 3.933 30 20 CHED CC[C@H](C(=O)N[C@](C)(C#N)CC)C1CCC(C)CC1 545182998 ZPQJYFVMJIWLIH-UJJWPFCGSA-N 264.413 3.647 30 20 CHED CCC[C@H](CC)NC(=O)c1cc(-c2cccc(C#N)c2)no1 469083883 UTQSDVSEZIVARN-AWEZNQCLSA-N 297.358 3.522 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)ccc1C1CC1 548471349 SICIDKWTMNLWEZ-UHFFFAOYSA-N 291.354 3.700 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1cc(C)cc(C)c1 466530527 NXAGLIUFJNDFLG-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C=CCCCCNC(=O)c1cnn(-c2ccc(C)cc2)c1C 546724597 NWBANSABGRQJHE-UHFFFAOYSA-N 297.402 3.575 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H]1Cc1ccccc1 469084110 SZVXTFOPGGLGSS-QGZVFWFLSA-N 269.388 3.598 30 20 CHED Cc1cc(C)c(CNCCc2cccc(C#N)c2)cc1C 466422831 ANDGHVWPKUYLNR-UHFFFAOYSA-N 278.399 3.816 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(C)[nH]c2ccccc12 281597346 CYSMLXIUDSLZEO-GFCCVEGCSA-N 256.349 3.561 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)c1ccc(F)cc1 466544690 XXVHVPGFPIIELO-AWEZNQCLSA-N 263.356 3.574 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCOc2c(CC)cccc21 467945791 NOHXXGCBFVJMFX-CRAIPNDOSA-N 287.403 3.791 30 20 CHED C=CCCN(C)C(=O)NCc1cccc2ccccc12 467011055 QXKXSSLURXOFHI-UHFFFAOYSA-N 268.360 3.557 30 20 CHED Cc1cc(CCNc2cccc(C#N)n2)ccc1Cl 461862505 AQYBIDUGLZHHLG-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CCCCN1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 463190509 DNCUOGSOTXYCFR-MWDXBVQZSA-N 265.441 3.604 30 20 CHED N#CC1(CCCOc2ccc(F)c(Cl)c2)CCOCC1 281523431 ZMYSQPTZLGFEGR-UHFFFAOYSA-N 297.757 3.958 30 20 CHED CC(C)c1cccc(CNC(=O)c2ccc(F)c(C#N)c2)c1 551657742 BCCJFFASCXJKCD-UHFFFAOYSA-N 296.345 3.751 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)c1ccccc1 460808385 IHFVTKVTGJXNAE-UHFFFAOYSA-N 282.391 3.890 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)C(CC)CC 460656957 MQJKEPNHZRJGTI-ZDUSSCGKSA-N 254.418 3.951 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 285547870 SGMFWTDAWZULGD-MRXNPFEDSA-N 283.331 3.528 30 20 CHED C[C@](C#N)(NC(=O)c1ccc(C2CC2)cn1)C1CCCCC1 555904927 RDJWHZIYQYWVJT-GOSISDBHSA-N 297.402 3.551 30 20 CHED C=CCCCCNC(=O)c1cc(F)cc(C(F)(F)F)c1 471708806 HMWPFDMXVYCZHG-UHFFFAOYSA-N 289.272 3.931 30 20 CHED C=CCCC1(C(=O)NC[C@H](SC)C(C)(C)C)CC1 476610218 MFOVFXXIAVRUKV-LBPRGKRZSA-N 269.454 3.627 30 20 CHED C[C@@H](CCc1ccco1)N=c1c(C#N)c[nH]c2ccccc12 385912235 WEEMBGKBJPDKBZ-ZDUSSCGKSA-N 291.354 3.555 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 806249291 BXGIGUCHPHWCCV-CYBMUJFWSA-N 299.399 3.652 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2c(Cl)cccc2n1 804250818 UBEJPMSRCKEFKQ-UHFFFAOYSA-N 286.762 3.876 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCS[C@H]1C 648680343 ZQYXAVZMYXVQLM-WCQYABFASA-N 293.457 3.589 30 20 CHED Cc1ccc(CN2CCC(CCC#N)CC2)cc1F 564990482 JDLLRZXDLCFCJR-UHFFFAOYSA-N 260.356 3.650 30 20 CHED N#CCCCCCC(=O)OCc1ccn(C2CCCC2)n1 805696608 JQERFEQGCLKBEI-UHFFFAOYSA-N 289.379 3.515 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](C#N)CCC#N 569213842 GCSMEOMPDJKRTA-ZBFHGGJFSA-N 289.810 3.694 30 20 CHED C#CCCCCC(=O)OCCc1ccccc1Cl 805522916 HUVVDEYPDGNNOZ-UHFFFAOYSA-N 264.752 3.619 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cc(F)ccc1Cl 562465673 WADNGTNIKJXWJG-UHFFFAOYSA-N 278.670 3.505 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](OC)[C@H](C)CC 477142798 VRDDYCCBJHBFBD-NVXWUHKLSA-N 289.419 3.652 30 20 CHED C=CCCCCNC(=O)Nc1nc(CCC)cs1 473769891 PVQYMGWDLWBGSR-UHFFFAOYSA-N 267.398 3.573 30 20 CHED C#CCCCc1nc(C(C)(C)C2CCCCC2)no1 809483379 WPGMUKIJVMRTHU-UHFFFAOYSA-N 260.381 3.883 30 20 CHED Cc1ccc(F)c(CN2CCC(CCC#N)CC2)c1 567791376 PBAARJMKAOKSFL-UHFFFAOYSA-N 260.356 3.650 30 20 CHED C=CCCOCc1nc([C@H]2CCCC[C@@H]2CC)no1 645655262 YTXUBLGLXKPGEV-STQMWFEESA-N 264.369 3.846 30 20 CHED CC(C)(CCC#N)CNCCc1cc(C(F)(F)F)ccn1 292946854 KGDLAUGITJFWNC-UHFFFAOYSA-N 299.340 3.562 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccccc1C(C)(C)C 292848150 QYHGJXRCGGQJTH-UHFFFAOYSA-N 285.391 3.918 30 20 CHED C=CCCCCNCc1nc2c(s1)C[C@@H](C)CC2 472070928 XFBWVCABYYYZQW-LBPRGKRZSA-N 264.438 3.714 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@@H](C)[C@@H]1C 806003297 BVCNPNZQEQUHGD-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCOc1c(C)cccc1C 488847797 ACKUNWWUIPGYSC-INIZCTEOSA-N 287.403 3.639 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(C(=O)N(C)CC)c1 562059145 SHOUITZGSCMXBY-ZIAGYGMSSA-N 274.408 3.791 30 20 CHED CCC(C=NNc1nccnc1Cl)(CC)CC 814850471 PASZHIXKYLZOMF-UHFFFAOYSA-N 254.765 3.744 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 488763082 FFEXQGPKRISSFH-GOEBONIOSA-N 298.386 3.881 30 20 CHED Cc1cc(Cl)cc2c1OCC2=NNc1ccc(C#N)cc1 814803551 USSFIERHNQVZLZ-UHFFFAOYSA-N 297.745 3.729 30 20 CHED Cc1ccc2ncc(C#N)c(OCC3CCC3)c2c1 488282660 KKCKICCTMPYXMD-UHFFFAOYSA-N 252.317 3.594 30 20 CHED C=CCOCc1nc(-c2ccc3ccccc3c2)no1 568917585 XUWJRLAMKIBYEY-UHFFFAOYSA-N 266.300 3.592 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](c1ccc(C)cc1)C1CC1 811997508 LJYQKBKBQLEMDQ-IAGOWNOFSA-N 284.403 3.547 30 20 CHED C[C@H](C#N)OC(=O)C(F)(F)c1cc(Cl)ccc1Cl 817259326 XOFBNOSOIXMVTH-ZCFIWIBFSA-N 294.084 3.540 30 20 CHED C#Cc1ccccc1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 811872546 WTIVFSFQUPOADG-CQSZACIVSA-N 295.357 3.569 30 20 CHED Cc1nc(N2CCC[C@H]2CCC(C)C)ccc1C#N 488118802 RJWJLICCCZDAFZ-HNNXBMFYSA-N 257.381 3.667 30 20 CHED CCC#C[C@H](C)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 810128049 JIMWUXCJLVNYOU-JKSUJKDBSA-N 298.430 3.656 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1ccccc1C(N)=O 812232728 LHHCTORZNSLGNY-UHFFFAOYSA-N 295.386 3.663 30 20 CHED C=CCCCCCCCN[C@H]1CCCc2nn(C)cc21 810242792 HMVJQPMFMATPIK-INIZCTEOSA-N 275.440 3.914 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)C(C)(C)C 813211029 BZTIRTNRWFPFDD-MWLCHTKSSA-N 298.308 3.959 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2cccc(F)c2C#N)c1C 489020549 WYKBOMLYEPABIA-CYBMUJFWSA-N 296.345 3.805 30 20 CHED CC(C)c1ccc([C@H](C)OC(=O)c2cccc(C#N)n2)cc1 810666981 ZCPNZQQOPYGANO-ZDUSSCGKSA-N 294.354 3.995 30 20 CHED C[C@@H]1C(=NNc2cccc3cnccc23)CC[C@@H]1CC(=O)O 814835851 DGWGZPPVDGIQCN-NWDGAFQWSA-N 297.358 3.524 30 20 CHED C/C(C=NOC/C=C/Cl)=C/c1cccc([N+](=O)[O-])c1 811672287 VNRLOFYXJSJZDA-XKVVUZHISA-N 280.711 3.753 30 20 CHED C#Cc1cccc(N(C)C(=S)Nc2cccc(OC)c2)c1 728447878 DGEZXGDIJUAFKG-UHFFFAOYSA-N 296.395 3.510 30 20 CHED N#C[C@@H]1CC[C@H](S[C@H]2CCc3ccccc3C2)C1 577651592 LHKHFWNFEKQTIM-KCXAZCMYSA-N 257.402 3.969 30 20 CHED C[C@H](NN=C1CCCc2sccc21)c1ccncc1 819818437 MIIWQZQIDWQSMY-NSHDSACASA-N 271.389 3.534 30 20 CHED C=CC[C@H](Cc1ccccc1)n1cc(C2CC2)nn1 656457542 NYXOEFVTJJOTDS-OAHLLOKOSA-N 253.349 3.515 30 20 CHED N#C[C@@H](NC(=O)C1CC2(CCC2)C1)c1ccc(Cl)cc1 577223189 YTDUKJOSLHXRNL-CQSZACIVSA-N 288.778 3.601 30 20 CHED Cc1csc2ncnc(N3CCC(CCC#N)CC3)c12 573679956 YIRIMBQUCFLHJD-UHFFFAOYSA-N 286.404 3.520 30 20 CHED C/C(=C/c1ccccc1)CNCc1ccc(C#N)cc1 726606896 GVAAJTINSGYQQT-PTNGSMBKSA-N 262.356 3.751 30 20 CHED CCn1c(C)cc(C=NNCc2ccccc2Cl)c1C 728226438 OPUVSCXNNMTMGY-UHFFFAOYSA-N 289.810 3.902 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(O)cc1F 729932497 CHKIYHSXUPYDQE-LLVKDONJSA-N 272.323 3.606 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1F 727653719 XWQGKDWMAFBPEW-PKNBQFBNSA-N 269.319 3.788 30 20 CHED C#Cc1cccc(N(C(=O)/C=C/C=C/C)C(C)C)c1 728247288 YTHBNRAEZMVZBL-ZOCAGLHBSA-N 253.345 3.542 30 20 CHED CCn1c(C)cc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1C 727636114 GMRPBOWYTMDCNK-CQSZACIVSA-N 296.370 3.915 30 20 CHED CCCCCCCNCc1ccccc1N1CCOCC1 727464363 QEXZFUVRURWIAB-UHFFFAOYSA-N 290.451 3.583 30 20 CHED C=CC[C@H](CC)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 724044158 XCGCSQDSVYAMIS-SOUVJXGZSA-N 296.455 3.624 30 20 CHED CCCCCCCCCN(C)C(=O)c1cn(CC)cn1 823169277 XRIAKKHBCPICRA-UHFFFAOYSA-N 279.428 3.726 30 20 CHED Cc1cc2ccc(C(=O)Nc3cccc(C#N)c3C)cn2c1 588654511 WXHYNMNPZTYDBO-UHFFFAOYSA-N 289.338 3.680 30 20 CHED Cc1cc(N2CCC(CC#N)CC2)nc(-c2cccs2)n1 580879741 GAMWBOXGNUZHTP-UHFFFAOYSA-N 298.415 3.644 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)CC[C@H]1C 581362596 XHQWXOACYIRTDG-LSDHHAIUSA-N 296.418 3.756 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCCCC1(F)F)c1ccncc1 825859694 VZEKWXBKUBTITN-KGLIPLIRSA-N 294.345 3.641 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@](C)(F)CCCC)c1 825979383 APZCUDJELGVTJA-INIZCTEOSA-N 261.340 3.549 30 20 CHED C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)CC1(F)F 494218272 BALCBDSRRFSWBZ-CYBMUJFWSA-N 292.373 3.965 30 20 CHED CN(CC(C)(C)C#N)C(=O)Cc1ccc(Cl)cc1Cl 497426897 LAHUCIFJPGIIPH-UHFFFAOYSA-N 299.201 3.544 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)c1cccc(C)c1 495229847 CILZSNIBJWHGMM-NVXWUHKLSA-N 286.419 3.849 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)C2CCCC2)cc1 589078418 JNGCZVZSEUORKV-CXAGYDPISA-N 284.403 3.756 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 664472421 KRFYZRHITOLGMA-ZACQAIPSSA-N 298.430 3.616 30 20 CHED CCCCCCCCCC(=O)N1CCN(C2CCC2)CC1 733274854 XQRBOFNHIKJLHM-UHFFFAOYSA-N 294.483 3.824 30 20 CHED C#CCOc1cccc(NC(=O)C[C@@H](C)CC(C)C)c1 730977639 KDIOZMPZVBQRAI-AWEZNQCLSA-N 273.376 3.709 30 20 CHED C/C=C(/CC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 588568074 LZWKSSXQJWXTHE-XGICHPGQSA-N 272.348 3.640 30 20 CHED C#CCCOC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 730921955 NTHGEKLFXQYMHA-IRXDYDNUSA-N 264.324 3.510 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2cnccc2C)CCCC1 664571010 HUYSPLDMIYKLPP-AWEZNQCLSA-N 287.407 3.639 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OC)c3cccnc23)CC1 583787824 WDRFTZJEGCUVIA-UHFFFAOYSA-N 296.370 3.928 30 20 CHED Fc1ccc(C=NNc2c(F)cccc2F)cc1F 735618405 AFCDYAODSWLSIQ-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C[C@H]1OCC[C@H]1SCCCCC1(C#N)CCC1 901526653 CTXSNVUEKYISMJ-CHWSQXEVSA-N 253.411 3.761 30 20 CHED C#CCOc1cccc(Oc2ncnc3cccc(F)c23)c1 732569151 XSNSQFYCOIMARI-UHFFFAOYSA-N 294.285 3.573 30 20 CHED Cc1cc(OC(=O)c2oc(C(C)C)nc2C)ccc1C#N 839340511 XBQQDXRPPGCRON-UHFFFAOYSA-N 284.315 3.506 30 20 CHED C#Cc1cccc(CN[C@H](C)c2c(C)cc(C)cc2O)c1 834903770 RJKHMCVTMBDRQH-OAHLLOKOSA-N 279.383 3.841 30 20 CHED C=CCCNC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 665945830 OGQDAEJPGDTQNN-IAGOWNOFSA-N 286.419 3.849 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1ccc(F)nc1)C2=O 588524158 ZVTTUUBRVNOLJE-GYBQTFJISA-N 267.303 3.913 30 20 CHED Cc1cc(NC(=O)NCC2(CC#N)CC2)ccc1C1CC1 580270766 XHLVDZQDIITESK-UHFFFAOYSA-N 283.375 3.688 30 20 CHED C=CCC1(C(=O)OCCCCC(C)=O)CCCCC1 838150873 SZAFYBAPPDONAM-UHFFFAOYSA-N 266.381 3.816 30 20 CHED N#Cc1nn(C[C@H]2CCC3(CCCCC3)O2)c2ccccc12 584876410 RKSNISCOSGGUCU-CQSZACIVSA-N 295.386 3.790 30 20 CHED C=CCC1(N[C@H](CC)Cc2cccs2)CCOCC1 668551883 ZGBAXQJQLJIINL-CQSZACIVSA-N 279.449 3.784 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@](C)(C#N)CC 588927216 VMGDOULYOIHDFS-MRXNPFEDSA-N 262.397 3.521 30 20 CHED C=CCCC[C@H](C)N[C@H]1CCC[C@@H](C(F)(F)C(=O)O)C1 902262410 IYMPPGFMDKXOOF-XQQFMLRXSA-N 289.366 3.600 30 20 CHED C[C@@](C#N)(NC(=O)[C@H]1CCCCC1(F)F)C1CCCCC1 581865146 NXMQGQXPDJPOQA-HIFRSBDPSA-N 298.377 3.791 30 20 CHED C#Cc1ccc([C@H](OC(=O)C2CC=CC2)C(F)(F)F)cc1 836079600 CUSBSGNNBOHOTG-AWEZNQCLSA-N 294.272 3.781 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2cc(C)ccc2F)c1C 734981412 RSQAOMFHHJVVTM-CLFYSBASSA-N 286.350 3.863 30 20 CHED Cc1c([C@@H](NC(=O)C#CC2CC2)C(C)C)oc2ccccc12 837413030 NQZMFYXXISIHBQ-SFHVURJKSA-N 295.382 3.968 30 20 CHED CC(C)(C(=O)OCc1cccc(C#N)c1F)C1CCC1 838156303 FGARMDYIUMBCPI-UHFFFAOYSA-N 275.323 3.567 30 20 CHED C=CC[C@@H](NC(=O)c1cc(C)sc1C)c1ccncc1 734233873 BALBZCDCBARQMF-OAHLLOKOSA-N 286.400 3.807 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)O 901872496 QWTHPKOHTRUIGL-LJIGWXMPSA-N 289.419 3.509 30 20 CHED C=CCC1(C(=O)OCc2ncc(Cl)s2)CCCC1 838285681 WVJIXYKWWSZNRN-UHFFFAOYSA-N 285.796 3.976 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@@H](O)CC1 837774597 CQRSBBVXTFHCGI-HZPDHXFCSA-N 298.471 3.539 30 20 CHED CC/C(C)=C/C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 835200636 NHIRTUQVPFOJLA-CDCCAWJDSA-N 262.378 3.799 30 20 CHED C=CC[C@H](NC(=O)N1CCCC(C)(C)C1)c1ccncc1 734679185 KOOVKYIVZRMHNP-HNNXBMFYSA-N 287.407 3.530 30 20 CHED C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C1CC1 595713965 NARZGZFINDMXIN-JTQLQIEISA-N 268.282 3.582 30 20 CHED CC1(C)CC(=NOCc2cccnc2)c2ccccc21 746585965 PRTPUOXSLSJOKZ-UHFFFAOYSA-N 266.344 3.684 30 20 CHED Cc1ccc(C=NOCc2cc(C(=O)O)sc2C)cc1 832930650 YXSCQWSWTJSRHB-UHFFFAOYSA-N 289.356 3.614 30 20 CHED Cc1ccc(C(=O)/C=C\C2=Cc3ccccc3OC2)o1 749358957 XAHVLVWPSVKEJU-FPLPWBNLSA-N 266.296 3.803 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCC[C@H](CC#N)C1 597904129 DCQPJEAKAFFVLI-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED C#CC1CCN(Cc2c(Cl)ccc3cccnc23)CC1 830321421 KWUYSGFRNWJYID-UHFFFAOYSA-N 284.790 3.733 30 20 CHED C=C[C@](C)(CC)COC(=O)C1(C(F)(F)F)CCC1 835335746 DOVXCKIDBWQNJW-LLVKDONJSA-N 264.287 3.865 30 20 CHED N#Cc1ccc(OCCCSc2ccccc2C#N)cc1 743454769 OMMHSNBOWFPCIE-UHFFFAOYSA-N 294.379 3.991 30 20 CHED CC[C@@H](CC(F)(F)F)NC(=O)CC1(C#N)CCCCC1 597506727 FGEAHFSCKGJRLM-NSHDSACASA-N 290.329 3.698 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)N[C@H](CC)CCC 743201837 NXCOFEUZLGZIIO-CYBMUJFWSA-N 292.354 3.538 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H](C)c1ccc(C)o1 742664469 MIAPNCYXVGMUDN-CQSZACIVSA-N 299.370 3.573 30 20 CHED CC(C)(C#N)C[C@H](O)CN[C@@H]1CCC[C@@H](C(C)(C)C)CC1 598724099 MITGHXAQKPHPML-OAGGEKHMSA-N 294.483 3.872 30 20 CHED CC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccccn1 911143523 IHLBUYXGSGNIHE-CQSZACIVSA-N 285.391 3.513 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)c2ccc(OC)cc2)c1 746659589 LFTCJLZXWYHOLW-CYBMUJFWSA-N 294.354 3.559 30 20 CHED CCCN(CC1CCCCC1)C[C@H](O)CC(C)(C)C#N 598586444 VFCROXBNFJEQAY-MRXNPFEDSA-N 280.456 3.579 30 20 CHED N#Cc1cccc(C2(NCCc3c(F)cccc3F)CC2)c1 592105950 XYIMYHYUWGBVDS-UHFFFAOYSA-N 298.336 3.658 30 20 CHED C#CCN(CC)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 741913532 NHURJQVANRWGIO-ZIAGYGMSSA-N 296.197 3.579 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C(=O)O)c1ccccc1 840995856 HUZYPPCBIZHNTM-GDBMZVCRSA-N 275.392 3.927 30 20 CHED CCCCCCCCNc1ccc2oc(=O)n(C)c2c1 749271510 YBHCHWZJADCRBX-UHFFFAOYSA-N 276.380 3.904 30 20 CHED O=C(O)c1ccc(NN=C2CCC(F)(F)CC2)cc1F 842536684 XCJUFMQXLHADTK-UHFFFAOYSA-N 286.253 3.501 30 20 CHED N#CC1(CC(=O)N2CCC[C@H]2c2ccccn2)CCCCC1 596913627 KPJRUXOXLBAJNU-INIZCTEOSA-N 297.402 3.609 30 20 CHED CCc1ccccc1NN=C(C)c1nc2ccccc2n1C 915051711 NZWBRXVNKIHKHQ-UHFFFAOYSA-N 292.386 3.972 30 20 CHED COCC#CCN(C1CC1)[C@H](C)c1ccccc1Cl 677478336 VNZNXYGYAITNRK-CYBMUJFWSA-N 277.795 3.515 30 20 CHED N#Cc1c(N2CCC3(CCC3)CC2)cccc1-n1cccn1 594581375 QMCGYYPKLDRBQD-UHFFFAOYSA-N 292.386 3.514 30 20 CHED CCCCCCCNCc1c(Cl)nc(Cl)n1C 752261793 VUEHUKUFYGTBKS-UHFFFAOYSA-N 278.227 3.787 30 20 CHED CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1cccs1 912817787 QWYBYMIBCVZAED-UHFFFAOYSA-N 292.314 3.739 30 20 CHED C=CCC1(C(=O)OCCc2cccc(C)n2)CCCC1 842842321 WZAZYUQLJKJGNV-UHFFFAOYSA-N 273.376 3.612 30 20 CHED CO[C@@H](c1ccccc1F)[C@@H](C)Nc1nc(C#N)ccc1C 596185596 OBFQQUDYVYBFMY-MLGOLLRUSA-N 299.349 3.589 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)[C@@H]1C 596629604 DWZKVGXURWTJCQ-RBSFLKMASA-N 276.424 3.791 30 20 CHED CCOc1ccc(/C=N/CC[C@H](OCC)C(C)C)c(O)c1 746394054 NITFYUNUCLWRLA-BOFQVRIASA-N 293.407 3.661 30 20 CHED CC[C@H](C#N)C(=O)NCc1cccc(-c2cccc(C)c2)c1 593452496 YPZKHNUGYQDYMX-MRXNPFEDSA-N 292.382 3.828 30 20 CHED C=CCN(C(=O)Cn1ccc2ccc(Cl)cc21)C(C)C 919693790 IVXZMWSQLZSURP-UHFFFAOYSA-N 290.794 3.718 30 20 CHED N#CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(Cl)cc1 593179225 OVTHUOPCEGQIPT-LSDHHAIUSA-N 288.778 3.633 30 20 CHED Cc1ccc(C)c(C=NNc2cc(Cl)nc(C)n2)c1 741763979 NBGIWQLQMBPPTD-UHFFFAOYSA-N 274.755 3.501 30 20 CHED CCCCCCCCC(=O)O[C@@H](C)c1cnccn1 747744649 LOISYTHWVPQERA-ZDUSSCGKSA-N 264.369 3.831 30 20 CHED O=C1/C(=C/c2cc3cc(F)ccc3o2)Oc2cc(O)ccc21 741849014 SDKLKCBHODOBAH-PXNMLYILSA-N 296.253 3.894 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@H](C)CC(F)(F)F)c1 840712605 JWFFQVMEJOPOGY-PQQLAPNWSA-N 289.297 3.798 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N[C@](C)(C#N)CC(C)C 599236958 PPRLJPVWBYWJPE-QAPCUYQASA-N 286.419 3.618 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)c(Cl)c1Cl 590628868 QWWKOINCOGXTLJ-JTQLQIEISA-N 299.201 3.970 30 20 CHED CC(C)Cn1nccc1CNc1ccc(Cl)c(C#N)c1 592458092 MWBPUSREHLOTIC-UHFFFAOYSA-N 288.782 3.676 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1O 841762122 LYQQQNUHPKZALO-FZKQIMNGSA-N 292.382 3.992 30 20 CHED CCC/C(C)=C\C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842943864 ZQBKCBVNCYMLPB-MQGYJPLLSA-N 274.389 3.943 30 20 CHED CCNc1ccc(C#N)cc1NCC=C(Cl)Cl 849315417 UIPVRGVBTBEFKU-UHFFFAOYSA-N 270.163 3.721 30 20 CHED COc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1OC 921265957 GTUNDUMRBYCHRF-WQLSENKSSA-N 298.313 3.665 30 20 CHED CCC(=NNc1ccc(C)c(F)c1)c1c(C)nn(C)c1C 853438620 ICOLNIWBZXHJFF-UHFFFAOYSA-N 288.370 3.711 30 20 CHED N#CC1(c2cccc(-c3scc4c3OCCO4)c2)CC1 854206492 URCGGSJCNTXEFZ-UHFFFAOYSA-N 283.352 3.741 30 20 CHED CCCCCCCCCC=Nn1c(C)nnc1S 755510748 LJMSSNXZRXWVPZ-UHFFFAOYSA-N 268.430 3.850 30 20 CHED CCC1CCC(=NNc2nc(O)c3ccccc3n2)CC1 757588141 ANERDWGLYKTVQB-UHFFFAOYSA-N 284.363 3.704 30 20 CHED C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc2ccccc2c1 852101468 QULKGSWFQIZNBY-AUUYWEPGSA-N 294.398 3.558 30 20 CHED FC(F)(F)C(=NOCC1CCC1)c1ccccc1 751961643 HVAXHLPQJCSXNR-UHFFFAOYSA-N 257.255 3.770 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ncoc1C1CC1 851141458 ASMNOYITJRQBJF-DGCLKSJQSA-N 275.348 3.844 30 20 CHED C=CCN1CCC(N[C@H](C)c2coc3ccccc23)CC1 924983610 HBSRKWGWVDAVGW-CQSZACIVSA-N 284.403 3.734 30 20 CHED CC(CC(C)(C)C#N)=NNCc1cnc2ccccc2c1 853321814 JZELOMHZLQWZGK-UHFFFAOYSA-N 280.375 3.640 30 20 CHED C[C@H]1CC=CC[C@@H]1COC(=O)c1ccc(CC#N)cc1 759752845 OPEPQHAMMULCOZ-XJKSGUPXSA-N 269.344 3.512 30 20 CHED CC1(C)CCC[C@@H](C=Nn2c(S)nnc2C(C)(C)C)C1 752721811 GYOVPWOOERDXHR-LLVKDONJSA-N 294.468 3.915 30 20 CHED CCCCCCCC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 753344903 ATJUHUBTOZXTNQ-UHFFFAOYSA-N 279.340 3.597 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(C(F)(F)F)nn2C)oc1C 853008491 RVGYQSWJDKDBQZ-PLNGDYQASA-N 298.264 3.545 30 20 CHED C(=NNc1ncnc2sccc12)[C@@H]1C[C@H]1c1ccccc1 755588488 BZVXKELXSWBYNO-JSGCOSHPSA-N 294.383 3.893 30 20 CHED Cc1cccc([C@@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851209509 MHZVAHXXIXDKQU-UONOGXRCSA-N 273.376 3.970 30 20 CHED O=C(O)c1ccccc1NN=C[C@H]1C[C@H]1c1ccccc1 755601467 OMDBJJGUQPOWPG-HIFRSBDPSA-N 280.327 3.586 30 20 CHED CCCCCCCNC(=O)C[C@@H]1CCC[C@@H](OC)C1 862357514 WXKMQVXUCNTXLI-HUUCEWRRSA-N 269.429 3.668 30 20 CHED Cc1ccc(OC(F)F)c(C=NOCC(F)(F)F)c1 764846689 NFHUKNPSNMZWQC-UHFFFAOYSA-N 283.196 3.509 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(F)c(Cl)c1 860197390 BIDFEGKFPUSWPO-UHFFFAOYSA-N 283.730 3.852 30 20 CHED C#CCCN(Cc1cnc2ccccc2c1)CC(F)(F)F 768535371 YGZOPMBYDDPYNC-UHFFFAOYSA-N 292.304 3.622 30 20 CHED C#CC[C@H](Nc1nc(C)cc(CC)n1)c1ccccc1 766087892 GWPXWOXBFKEGLG-INIZCTEOSA-N 265.360 3.524 30 20 CHED CC1(F)CCN(CCCCC2(C#N)CCC2)CC1 931502103 KZKYIEXYIGZTRI-UHFFFAOYSA-N 252.377 3.675 30 20 CHED C#CCN(C(=S)Nc1ccc(CCCC)cc1)C1CC1 763363069 IKGVBIRPVWBKLF-UHFFFAOYSA-N 286.444 3.824 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)OCc1ccc(CC#N)cc1 769177556 RJIOAWVSIOSYEX-CZUORRHYSA-N 271.360 3.622 30 20 CHED O=C(/C=C\c1cncs1)c1c[nH]c2cc(F)ccc12 767730643 ZQNIPPIVIFULPI-RQOWECAXSA-N 272.304 3.660 30 20 CHED CCCCCCCNC(=O)C[C@@H](C)c1c(C)n[nH]c1C 862358170 XAIQJJXXJFDVHV-GFCCVEGCSA-N 279.428 3.607 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C(C)(C)C)cnc2ccccc12 765632914 GWTZLHKECUMPIY-HNNXBMFYSA-N 282.343 3.638 30 20 CHED C[C@H](OC(=O)[C@H](F)c1ccccc1)c1cccc(C#N)c1 769294604 RPQFEYBMHGLCTB-BLLLJJGKSA-N 283.302 3.873 30 20 CHED N#Cc1ccccc1CN1CCc2cc(Cl)ccc21 864027913 MNAGFBXHZOVSSX-UHFFFAOYSA-N 268.747 3.774 30 20 CHED CON=Cc1cccc(OCc2ccccc2Cl)c1 767491747 ZWEIDVFIXBTECS-UHFFFAOYSA-N 275.735 3.899 30 20 CHED C#CCCc1noc(Cc2c(Cl)cccc2Cl)n1 762016311 MFLRTXCCYZVFTP-UHFFFAOYSA-N 281.142 3.533 30 20 CHED COc1ccsc1C(C)=NN[C@H](C)c1ccccc1 769779703 HUPYCHSLBASFBM-LLVKDONJSA-N 274.389 3.832 30 20 CHED CC#CCCN(CC)Cc1ccc(C(F)(F)F)cc1 764954681 JRNUCZTZNMABHE-UHFFFAOYSA-N 269.310 3.941 30 20 CHED CC1(C)CCC(C(=O)OCc2cccc(C#N)c2)CC1 768688784 XJDSWAMJIAIGCZ-UHFFFAOYSA-N 271.360 3.818 30 20 CHED C=C(Br)CSc1ncc(C(C)(C)C)o1 761885092 AJUVKGZBHCDHGF-UHFFFAOYSA-N 276.199 3.973 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C\c2cnccc2C)CCCC1(C)C 767227607 GVPMEZYXXTWYJC-JJEJIETFSA-N 298.430 3.997 30 20 CHED CC(C)c1cccc(C(=O)/C=C\c2cnc(N(C)C)n2C)c1 863195692 JIUFFUNJRLRKOF-KTKRTIGZSA-N 297.402 3.506 30 20 CHED C/C=C(/C=C/C(=O)Nc1ccc(F)c(C#N)c1)CC 765408235 KBVMITSVASCNGL-GQHUZBHDSA-N 258.296 3.548 30 20 CHED Cn1cnc2cc(/C=C3\CCCC(C)(C)C3=O)ccc21 761207203 ZFLWSDNIBDMYGH-UKTHLTGXSA-N 268.360 3.736 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1ccncc1 779655104 DGKNAFGZCNDCHB-HNNXBMFYSA-N 276.424 3.737 30 20 CHED C=CCN(C(=O)N[C@H]1CCO[C@H](C(CC)CC)C1)C(C)C 779395304 OANMDVFKPJTCOE-HOTGVXAUSA-N 296.455 3.576 30 20 CHED CCC(=NOC1CCCC1)c1cccc([N+](=O)[O-])c1 774596444 FCIJRSKBUUQDOK-UHFFFAOYSA-N 262.309 3.668 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(C#N)cc1F 772843560 CIPBJHHMPKMANO-CYBMUJFWSA-N 275.371 3.980 30 20 CHED C=CCCOC(=O)C(C)(C)c1cccc(Cl)c1F 772484075 DXNDYNFRRKPEAY-UHFFFAOYSA-N 270.731 3.876 30 20 CHED CCCCc1oc2ccccc2c1C=NNC[C@H](C)C#N 771110829 CJOMAWDPKQRTIQ-CYBMUJFWSA-N 283.375 3.859 30 20 CHED N#Cc1cccc(COC(=O)c2ccc(Cl)s2)c1F 774874338 WNRNBQVGLKXGAQ-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](c1ncccc1C)C(C)C 878954607 CHRYDWMNIMYVSE-HNNXBMFYSA-N 274.408 3.806 30 20 CHED CC(C)(C)OC(=O)N[C@H]1CCCC1=NOC1CCCCC1 777457152 MZGCGOFQFQXDBI-ZDUSSCGKSA-N 296.411 3.769 30 20 CHED C=CCSc1ccccc1C(=O)OCC(=O)CC(C)C 777075808 LCBUOLKVEPHYNF-UHFFFAOYSA-N 292.400 3.737 30 20 CHED C=C(CC)COC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 773529939 LEXRAGPYMAOQRQ-GFCCVEGCSA-N 289.158 3.536 30 20 CHED N#C[C@H](C(=O)[C@H]1CCCc2ccccc21)c1cccc(F)n1 1122714310 JEANDOJFHDPXHV-GJZGRUSLSA-N 294.329 3.517 30 20 CHED Cc1ccc(C=NOCc2ncc(Cl)s2)cc1 774724640 JGEJIRDYGLSAHO-UHFFFAOYSA-N 266.753 3.656 30 20 CHED C#CCCOc1ccc(CN[C@H](C)CCCC=C)cc1 776254983 RRWOKSDZSBPRFQ-MRXNPFEDSA-N 271.404 3.923 30 20 CHED C#C[C@H](N[C@H](C)c1ccc(SCC)cc1)[C@@H]1CCCO1 775572601 SLGOLDPLISBTNQ-COXVUDFISA-N 289.444 3.630 30 20 CHED COc1ccc(CS[C@H]2CC[C@H](C#N)C2)c(OC)c1 882306682 ISGKZJACQKQRFZ-FZMZJTMJSA-N 277.389 3.629 30 20 CHED C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccncc1 1123025898 YDTOMLJSXLUFTM-CYBMUJFWSA-N 272.348 3.550 30 20 CHED COc1ccc([C@@H]2CCCN2c2ccc(C)nc2C#N)cc1 881760615 GUPGRAANFYKIED-KRWDZBQOSA-N 293.370 3.612 30 20 CHED O=C(/C=C/c1cnc(-c2ccco2)s1)c1cccnc1 789126177 CUNGBAYBGPZLPE-AATRIKPKSA-N 282.324 3.694 30 20 CHED CC(=O)Nc1ccc(C(C)=NN[C@H]2CCCC2(C)C)cc1 782288218 PHYRJZDJJJADHN-INIZCTEOSA-N 287.407 3.537 30 20 CHED C#C[C@@H](OC(=O)c1ccoc1C)c1ccc(Cl)cc1F 788152154 CKOACFDRCKJTCY-CQSZACIVSA-N 292.693 3.912 30 20 CHED Clc1cccc(NN=C2COCc3ccccc32)c1 782119162 HKXONYKICZKQSC-UHFFFAOYSA-N 272.735 3.686 30 20 CHED C=C1CCC(C(=O)N(C)[C@H](CC)c2ccncc2)CC1 889086425 CBKFGNSVGLMQNS-MRXNPFEDSA-N 272.392 3.738 30 20 CHED CCCOc1ccc(C(C)=NNc2ccnc(F)c2)cc1 781127775 PXHFSHIHBYKNQU-UHFFFAOYSA-N 287.338 3.846 30 20 CHED COc1cccc(C(=O)/C=C\c2scnc2C2CC2)c1 782302107 NWYMSDQCVSGFFC-FPLPWBNLSA-N 285.368 3.925 30 20 CHED C=C1CC(c2noc(C3(c4ccc(N(C)C)cc4)CC3)n2)C1 896876479 GTOYMJVNVDSPPV-UHFFFAOYSA-N 295.386 3.649 30 20 CHED Cc1cc(C=NNc2ccc(Cl)nc2)cc(Cl)n1 788715868 FNVRADQXHGVKSH-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C#CC[C@@H](NC(=O)c1c(C)oc(C)c1C)c1ccccc1 786464225 XKUSKMDUTDFJHI-MRXNPFEDSA-N 281.355 3.699 30 20 CHED CCC/C=C\C(=O)OCc1ccc(C#N)cc1Cl 784209817 SHNSVRJVSKGGPK-PLNGDYQASA-N 263.724 3.611 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(-c2ccco2)cc1F 786497527 PLAMJJWXGXRMNI-UHFFFAOYSA-N 294.713 3.960 30 20 CHED COc1cc(CN2CCC[C@@H](C#N)C2)cc2ccccc12 896502170 DGLAIDNMWGASAS-AWEZNQCLSA-N 280.371 3.584 30 20 CHED C#CCCCCCC(=O)Nc1cc(Cl)ccc1O 780400968 NXFJAQHBNGYGCT-UHFFFAOYSA-N 265.740 3.568 30 20 CHED C=C(C)CNc1cc(Cl)ccc1O[C@H](C)COC 786775071 IINVBNRYFVGANW-LLVKDONJSA-N 269.772 3.742 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@@H](F)C(C)C 784570318 CPOXZRDZWOAWPE-HNNXBMFYSA-N 279.355 3.517 30 20 CHED CCSCCC=NNc1ncccc1C(F)(F)F 781124006 RZCDCPWDMXTTTM-UHFFFAOYSA-N 277.315 3.641 30 20 CHED C#Cc1cncc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)c1 798245469 YIGJRDDGTZSUHX-KRWDZBQOSA-N 292.382 3.580 30 20 CHED O=C(O)c1ccccc1NN=Cc1cccc2ccccc12 793002880 QUBRHWVPAZERQB-UHFFFAOYSA-N 290.322 3.984 30 20 CHED C=C1CC(c2noc(-c3cnn(CC(C)C)c3C3CC3)n2)C1 896878326 XSXTZFRJXDKUDZ-UHFFFAOYSA-N 298.390 3.900 30 20 CHED N#Cc1ccc(F)c(COC(=O)CCC2CCCC2)c1 794626558 CHPQPUIGLSARAW-UHFFFAOYSA-N 275.323 3.711 30 20 CHED Cc1cc(OC(C)C)ccc1N[C@@H]1CC[C@@H](C#N)C1 799721048 QVHYPCYUSYJWNA-ZIAGYGMSSA-N 258.365 3.886 30 20 CHED N#Cc1ccc(CCN2Cc3cccc(Cl)c3C2)cc1 1208927996 ROJYIOSJZSGYFT-UHFFFAOYSA-N 282.774 3.770 30 20 CHED COC(=O)c1c(F)cccc1NN=C1CCC[C@@H]1CCF 794937025 FWHOUKVAJMQIJI-SNVBAGLBSA-N 296.317 3.540 30 20 CHED CC(Cc1cccs1)=NNc1cccc(Cl)n1 793174026 GSVVDIAPWIFNLO-UHFFFAOYSA-N 265.769 3.827 30 20 CHED CCCCCCCN1CCN(C2CCC2)C[C@@H](C)C1 795120818 MMNXYVOGTWRUFQ-INIZCTEOSA-N 266.473 3.763 30 20 CHED Cc1ccc(COC(=O)c2cc(C#N)oc2C)c(Cl)c1 797887897 USPQLIRBMBDOMD-UHFFFAOYSA-N 289.718 3.779 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@H](c3cccnc3)C2)n1 799866247 ZORVVMKVZFKYCQ-AWEZNQCLSA-N 295.390 3.614 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CCC)Cc1ccccc1F 791064527 HSVJORYSEMCWPV-HNNXBMFYSA-N 290.382 3.549 30 20 CHED CC(C)(CCC#N)CN1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 793615302 OLGVALJZRQZCKS-AAEUAGOBSA-N 289.250 3.832 30 20 CHED CC(CCc1cccc(F)c1)=NNc1ncccc1C 790186343 PAOJPFPQPJYMHF-UHFFFAOYSA-N 271.339 3.950 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNc1nnc(C)c(C)c1C#N 1307142139 TZNLBAKXZMQNLD-HUUCEWRRSA-N 286.423 3.984 30 20 CHED COc1ccc(SCc2cc(C#N)ccc2F)cc1 19847628 JFQPUWUAJKFNMU-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CC(C)(NC(=O)c1cc(C#N)cs1)C1CCCCC1 1319132961 ARCGHRKMIKZJEO-UHFFFAOYSA-N 276.405 3.708 30 20 CHED CC(C)(C)ON=Cc1cccc(-c2cccnc2)c1 1319683952 CQCJDSNTQSYXJY-UHFFFAOYSA-N 254.333 3.898 30 20 CHED Cc1cc(C)cc(C=NNc2ccc(C(C)(C)C)nn2)c1 1318681298 HGMMPDDWJYUAMT-UHFFFAOYSA-N 282.391 3.837 30 20 CHED C#CCN(Cc1nc(C)sc1C)C1CCCCC1 1322909483 DIEZTRMVTUGZLU-UHFFFAOYSA-N 262.422 3.528 30 20 CHED COC(=O)c1ccc(C=NOCc2c(C)cccc2C)cc1 1328988152 NJLOUEIBGZKKDI-UHFFFAOYSA-N 297.354 3.641 30 20 CHED C=CCCc1nnc(-c2ccc(Cl)cc2F)o1 1328487761 QNJCXHIXNIKGSO-UHFFFAOYSA-N 252.676 3.648 30 20 CHED C=CCCOCCCCc1nnc(-c2ccc(C)o2)o1 1326944932 WCRRFSZSMLOXOH-UHFFFAOYSA-N 276.336 3.553 30 20 CHED CCCCCCCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 703765829 PUHFBHXVSQFSJA-RRFJBIMHSA-N 253.430 3.750 30 20 CHED CCCCCCCN1CCC(N(C)CC(F)F)CC1 749843315 BCCLGDIVTVDPFM-UHFFFAOYSA-N 276.415 3.618 30 20 CHED Cc1ccccc1Nc1nc(CN[C@@H](C)CC#N)cs1 1331776946 ZLZVFVAIBAMCIP-LBPRGKRZSA-N 286.404 3.587 30 20 CHED C[C@@H](COCc1ccccc1)COc1cccc(F)c1C#N 719161999 FSDKTTOLMXYQJR-AWEZNQCLSA-N 299.345 3.929 30 20 CHED N#CCOc1ccc(NCc2ccc3c(c2)CCCO3)cc1 1332299979 SGZUZUIWGQKXKI-UHFFFAOYSA-N 294.354 3.526 30 20 CHED C=C(C)[C@@H](CC(=O)NCc1cccc(C(F)F)c1)OCC 1338555759 SAHAHNNZEHMDDA-CQSZACIVSA-N 297.345 3.612 30 20 CHED C=CCC1(CNC(=O)[C@H]2CCOC3(CCC3)C2)CCCC1 1334331517 DDCYFUWZLGNFOV-HNNXBMFYSA-N 291.435 3.588 30 20 CHED CO[C@@H](CN(CCC#N)CCC(C)C)c1ccc(F)cc1 1191367710 UGSIDZQMLHFJCN-KRWDZBQOSA-N 292.398 3.775 30 20 CHED COc1ccccc1CON=CCCc1ccc(F)cc1 1340090080 PIEUJDZDEQQZAU-UHFFFAOYSA-N 287.334 3.970 30 20 CHED CCc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1CC 1343752779 OROLDBHXBFGBEC-KRWDZBQOSA-N 298.430 3.966 30 20 CHED C#CC[C@H](NCc1nc(C)sc1C)c1ccccc1 1341740696 AOEZIGGHYPHUIV-HNNXBMFYSA-N 270.401 3.614 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)O[C@@H](C#N)C(C)(C)C 1343174567 NDRJNZMSIKWIIW-OCCSQVGLSA-N 259.349 3.580 30 20 CHED Cc1cc(C)c(/C=C/C(=O)O[C@@H]2CC[C@H](C#N)C2)cc1C 1344016456 GEQLBQSNJJCVID-MCKRRDHZSA-N 283.371 3.861 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c(F)c1 1349145414 QMXQUIBPIZHHTP-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2ncccc2C)CCCCC1 1353915223 LZHGHNHWZPEKJP-HNNXBMFYSA-N 284.403 3.541 30 20 CHED COc1ccc(NC(=O)CC2CCCCCC2)cc1C#N 1438724175 WGPWTUTUFREOGI-UHFFFAOYSA-N 286.375 3.866 30 20 CHED CSc1ccccc1N(C)C(=O)c1ccsc1C#N 1361019292 UUZSUEJOUMITPL-UHFFFAOYSA-N 288.397 3.618 30 20 CHED C=C(CC)C(=O)N[C@H](CC)c1ccccc1OC(F)F 1527442424 AALHDBBGOMIKLG-GFCCVEGCSA-N 283.318 3.822 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2cc(F)cc(C#N)c2)cc1 1467160574 QULADYWFVNYNAE-LBPRGKRZSA-N 297.333 3.889 30 20 CHED C=CC[C@H](N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)O 1602842653 QGURKGYJSSOEBI-KWQFWETISA-N 288.174 3.673 30 20 CHED C=CC[C@@H](S[C@H](C)c1ccccc1OC)C(=O)O 1602850691 YCWCYDRWPGUSRT-ZWNOBZJWSA-N 266.362 3.519 30 20 CHED CCCC1(CNC(=O)c2ccc(C)c(C#N)c2)CCC1 1535175625 WPEQDVDWXMDIHM-UHFFFAOYSA-N 270.376 3.567 30 20 CHED N#CCc1cccc(NC(=O)c2cc3cc(F)ccc3o2)c1 1533224149 VOUFQDVAYOUDNC-UHFFFAOYSA-N 294.285 3.890 30 20 CHED N#Cc1cc(NCc2ccsc2C(=O)O)ccc1C1CC1 1601089471 QDECZAYTRAKSFO-UHFFFAOYSA-N 298.367 3.807 30 20 CHED CCO[C@@H]1C[C@H](Nc2cc(F)cc(C#N)c2)C12CCCC2 1474666701 ROJIBVPVGMEJMW-JKSUJKDBSA-N 288.366 3.847 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)c(C2CC2)n1 1544397496 XUZWUJOKEMDNDG-UHFFFAOYSA-N 295.317 3.531 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H](C)C1CCCCC1 1559787124 CVXLSQHAPSZSBA-CQSZACIVSA-N 286.419 3.967 30 20 CHED N#Cc1cncc(Nc2cccc(CCC(F)(F)F)c2)n1 1559136781 CWQLDCNDULPBRU-UHFFFAOYSA-N 292.264 3.587 30 20 CHED C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(C)CC(C)C 1722552525 RABHLBRJXNIWNG-UHFFFAOYSA-N 298.862 3.711 30 20 CHED C=C(Br)CN1CCc2ccc(CC)cc2C1 1648672634 JNODYUHZEFBODD-UHFFFAOYSA-N 280.209 3.516 30 20 CHED C=C(C)C[C@H](NC1CCC(C(C)(C)CC)CC1)C(=O)O 1588548620 VWXZJVCLPBXSBC-NRXISQOPSA-N 281.440 3.990 30 20 CHED C=CC[C@@H](C(=O)O)N1CCC(c2cc(C)cc(C)c2)CC1 1588727952 ALHFWJQEEKSESN-KRWDZBQOSA-N 287.403 3.512 30 20 CHED Cc1cccc(-n2ccnc2S[C@H](C#N)C2CC2)c1C 1652569845 WXPSARNPRIYWPY-OAHLLOKOSA-N 283.400 3.883 30 20 CHED Cc1nc(NC[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1C#N 1651020315 ZXCDKDRXIFDKJU-HUBLWGQQSA-N 257.381 3.746 30 20 CHED CCC[C@H](CN(CC)[C@@H](C)c1ccc(C#N)cc1)OC 1657445092 UKMHFYUTHKOZIA-WMLDXEAASA-N 274.408 3.756 30 20 CHED C[C@@H](Nc1cncc(C#N)n1)c1ccccc1C(F)(F)F 1655192215 NOSZYCNWDFSETI-SECBINFHSA-N 292.264 3.540 30 20 CHED CCC(CC)CN(CCC#N)C(=O)OCCC(C)C 1667106349 YIMICGJWVYTJPG-UHFFFAOYSA-N 268.401 3.821 30 20 CHED Cc1cccc(C[C@H](C)NCCc2ccc(C#N)cc2)c1 1665229789 QNBRLWAZBPAGTC-INIZCTEOSA-N 278.399 3.630 30 20 CHED CCCC[C@@H](S[C@@H](C)c1ccc(C#N)cc1)C(=O)O 1595651245 DLWKOGDQFOPPHU-SMDDNHRTSA-N 277.389 3.996 30 20 CHED CCC(=NNc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 1590358750 FSAJLZBZUAVCSL-UHFFFAOYSA-N 298.394 3.625 30 20 CHED Cc1ccc(CNC(=O)Nc2cc(F)cc(C#N)c2)c(C)c1 1674212960 CNFYJBMMNRVRJS-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@@H](C)C[C@@H](C)CC)C1 1776154486 DBEYEGYDYFOAHP-ZOBUZTSGSA-N 281.440 3.802 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1ccc(C#N)s1 161132807 MBDIEJFTHZIEGJ-UHFFFAOYSA-N 276.792 3.905 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)COc2ccccc21 206090565 IAGJENSQINFWGB-XFFZJAGNSA-N 272.250 3.624 30 20 CHED COc1ccc2[nH]cc(C3CCN(C(C)(C)C#N)CC3)c2c1 160686217 LKBOWPILFNZYMD-UHFFFAOYSA-N 297.402 3.658 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2F)cc1Cl 153494191 FDYVLDWFYAQLRA-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CCCOc1ccc(NCc2cc(C#N)ccc2OC)cc1 153618583 FXSLVIHNDIHJAT-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CC(C)Oc1ccc(NC(=O)N[C@H]2C=CCCC2)cc1C#N 157619820 QZVDJSNHLDMHKB-AWEZNQCLSA-N 299.374 3.576 30 20 CHED O=C(/C=C/c1cccc(-n2cccn2)c1)c1ccc(F)cc1 157190657 QSDLZPRXKBWISV-BJMVGYQFSA-N 292.313 3.908 30 20 CHED C=CCC[C@@H](CCC)N[C@H](COC)c1ccco1 156729818 HNOLYXTYFMIGIW-ZIAGYGMSSA-N 251.370 3.692 30 20 CHED C[C@@H]1CCC[C@@H](NCc2ccc(F)c(C#N)c2)[C@@H]1C 229591900 QEGUZOQPZUMYBU-XHBSWPGZSA-N 260.356 3.612 30 20 CHED C#C[C@H](CCC)NC(=O)c1cccc(Cl)c1Cl 233358503 LYEGEQFQZWIXLI-SECBINFHSA-N 270.159 3.525 30 20 CHED C[C@@H](N[C@H]1CCCc2occc21)c1cccc(C#N)c1 37242129 HDULKJOKGXCFNZ-WBMJQRKESA-N 266.344 3.879 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1F 42336074 BLNPXFYFEARZBW-LLVKDONJSA-N 272.298 3.687 30 20 CHED C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)c2ccccc21 264398632 VBGSJFZHABOJMW-FZKQIMNGSA-N 262.356 3.896 30 20 CHED Cc1ccc(F)cc1NC(=O)C1(C#N)CCCCC1 44385316 IROHZDSRYVFBFQ-UHFFFAOYSA-N 260.312 3.547 30 20 CHED N#CC1(C(=O)Nc2cccc(F)c2Cl)CCCCC1 290011615 FNTBYUIPXRLGFI-UHFFFAOYSA-N 280.730 3.892 30 20 CHED C#CCOc1ccccc1CNCc1ccc(Cl)s1 70211809 SQCCHBLCIFIJKD-UHFFFAOYSA-N 291.803 3.703 30 20 CHED CCC1(CC)CN(c2nc(C)c(C#N)cc2Cl)C1 311239283 YAABOCCJANIZGJ-UHFFFAOYSA-N 263.772 3.542 30 20 CHED CC(C)[C@H](C#N)NC(=O)CCc1cc(Cl)cc(Cl)c1 463837445 PFDRWQZIOBNDHR-ZDUSSCGKSA-N 299.201 3.590 30 20 CHED C#CCN(C)CCCN[C@H](C)c1ccc(Cl)c(Cl)c1 328167410 JPMMHBBFDOTIIS-GFCCVEGCSA-N 299.245 3.599 30 20 CHED Cc1nc(Oc2ccccc2[N+](=O)[O-])c(Cl)cc1C#N 336833842 PGNYVJKEFNOSBD-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=C(CN[C@@H]1CCCc2occc21)c1ccccc1 447546438 VWVXSMPBCSFBJE-MRXNPFEDSA-N 253.345 3.960 30 20 CHED C=CC[C@H](CC)NCc1ccc(OCC)c(OC)c1 341493841 NMTOGBGKTMWJQI-AWEZNQCLSA-N 263.381 3.538 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1cccs1 343560442 YPDIVQKKHNGJDT-GFCCVEGCSA-N 256.374 3.513 30 20 CHED N#Cc1ccc(OC[C@H]2CCCCC2(F)F)cc1F 381508748 KKEXRHNNAXZZLB-LLVKDONJSA-N 269.266 3.902 30 20 CHED C[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1Cl 383626022 AJKFSLGOCRCPNO-LBPRGKRZSA-N 285.778 3.800 30 20 CHED C=CCCC[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 398088640 ORTRIHYXJOKWKW-NSHDSACASA-N 259.309 3.623 30 20 CHED C#CCN(Cc1ccccc1)[C@H](C)c1cccs1 746156515 LFIBRFVBSMZQTI-CQSZACIVSA-N 255.386 3.945 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H](O)c1ccccc1 791569229 STBZQXIVIVJZBM-IBGZPJMESA-N 281.399 3.798 30 20 CHED N#Cc1cccc(NC[C@@H]2CCCC[C@H]2C(F)(F)F)n1 610510582 GRYMIEMGFWWBJX-CMPLNLGQSA-N 283.297 3.734 30 20 CHED CCN(CC1(C#N)CCC1)[C@H](C)c1ccc(C#N)cc1 450285125 MSDZDQUAWCSLKW-CQSZACIVSA-N 267.376 3.635 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC(C)CC2)cc1 7010772 FEVXDIDGWSQQJA-UHFFFAOYSA-N 275.421 3.848 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1C 11298637 GKVMPRQLHKYLDV-SOFGYWHQSA-N 268.312 3.605 30 20 CHED N#Cc1ccc(F)c(COc2ccc(F)cc2F)c1 19804808 XTNPXJUDIYWDST-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1C#N 30769568 BGULRHFMZYDECP-UHFFFAOYSA-N 287.344 3.554 30 20 CHED CCN(C(=O)c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 45498942 ADPVIRAYYHOUSC-CYBMUJFWSA-N 296.345 3.921 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1)c1cc(C)cc(C)c1 45516074 JNKLASNZYADFQX-UHFFFAOYSA-N 278.355 3.842 30 20 CHED Cc1cc(C)c2c(c1)/C(=N\OCc1ccccc1)C(O)=N2 46568596 LWJPFJAGYAVWNL-UHFFFAOYSA-N 280.327 3.826 30 20 CHED C[C@H](NC(=O)N(C)Cc1ccsc1)c1ccc(C#N)cc1 47051969 RFNRWZTTZCSADD-LBPRGKRZSA-N 299.399 3.522 30 20 CHED Cc1cccc2c1OC/C(=C/c1cccc(C#N)c1)C2=O 63411627 ZACNFQRJAQCYFH-DHDCSXOGSA-N 275.307 3.525 30 20 CHED N#CC1(C(=O)Nc2ccc(-c3nccs3)cc2)CCCC1 70811287 KSICSYQJGDPOOM-UHFFFAOYSA-N 297.383 3.833 30 20 CHED CCC(CC)CN(CCC#N)Cc1nc2ccccc2n1C 72692855 UNTQXBZNGIBZNY-UHFFFAOYSA-N 298.434 3.725 30 20 CHED C#CC[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C1CC1 79209055 OCRWBKYCXLEXPQ-SFHVURJKSA-N 295.382 3.836 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)[C@@H](C)c1ccccc1 80688031 PJIHPHMIHWOGRY-OLZOCXBDSA-N 251.333 3.557 30 20 CHED Cc1ccc(C)c(NC(=O)c2ccc(F)c(C#N)c2)c1 82271803 AAVBTXFCWMIUNV-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC(C)CN(C(=O)c1cccc(C#N)c1)C1CCCC1 83946027 NZQAKTZLSRCQLQ-UHFFFAOYSA-N 270.376 3.599 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)NC[C@@H](C)C#N 84908912 LETYFSHIGNZXQI-VIFPVBQESA-N 297.811 3.733 30 20 CHED CCN(C[C@H](C)C#N)c1cc(C(C)C)nc(C(C)C)n1 90107411 CYGXEVUSQVSSJG-CYBMUJFWSA-N 274.412 3.709 30 20 CHED CCCN(Cc1cc(C#N)cs1)Cc1ccccc1O 92705060 HLBLAPSRCWHMTD-UHFFFAOYSA-N 286.400 3.738 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1C#N 97036374 BDHBHLQNRJVNPI-UHFFFAOYSA-N 297.333 3.751 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](CC)c1ccc(OC)cc1 109195070 DXNBUXIITZZSHA-XJKSGUPXSA-N 292.375 3.671 30 20 CHED CCCCCCCCCCCC(=O)N1CC[C@H](O)C1 115064021 PERYYCCKBYQVKD-HNNXBMFYSA-N 269.429 3.501 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](C)c1cccc(F)c1 115985218 GQYIBSQXRSGHOK-ZDUSSCGKSA-N 263.356 3.744 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)N1CCC(C#N)CC1 116183975 JCMNEMAARJDBQR-MRXNPFEDSA-N 276.424 3.601 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OC)c2ccccc12 116854367 UMXJMPNUPCBMRK-LBPRGKRZSA-N 269.344 3.543 30 20 CHED C=CCCCS[C@H](C)C(=O)Nc1ccccc1OC 117944600 QCDIIDZHJIMKDW-GFCCVEGCSA-N 279.405 3.722 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1cccs1 119494024 HDKORBWCBJQCBF-CYBMUJFWSA-N 261.390 3.605 30 20 CHED C=CCN(Cc1cn2cc(C)ccc2n1)Cc1cccs1 120115413 LCJWKURNGJGWQQ-UHFFFAOYSA-N 297.427 3.892 30 20 CHED N#Cc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)s1 122270453 GFJSGTQKZTVGMX-UHFFFAOYSA-N 296.395 3.615 30 20 CHED C=CCn1c(S[C@@H](C#N)CC)nnc1-c1ccccc1 126958104 KLVUSZYJCKBRMC-CYBMUJFWSA-N 284.388 3.525 30 20 CHED C=CCC[C@H](C)Nc1cnn(Cc2ccccc2)c1 130629864 XZLBVVYYIYQLON-AWEZNQCLSA-N 255.365 3.698 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 131105581 KWXOSTMCIGUZTJ-CYBMUJFWSA-N 285.391 3.752 30 20 CHED COc1cc(C#N)ccc1NCc1ccc(F)cc1Cl 133443843 SJGICBFQNMMSFR-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCCCCCN(C)C(=O)CC1CCC(OC)CC1 135490250 COMDFHGZVBRUMO-UHFFFAOYSA-N 281.440 3.787 30 20 CHED C#CCCCCNCc1ccccc1OCc1cccnc1 150729683 ZEQKHUZXGHFAFE-UHFFFAOYSA-N 294.398 3.554 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(CCC(F)(F)F)cc1 152252646 ICNGXVRERAKNMJ-NSHDSACASA-N 285.309 3.876 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NCC2(C3CC3)CC2)cc1 159104524 OGBUDIQKFXVSFJ-UHFFFAOYSA-N 297.402 3.799 30 20 CHED Cc1cccc(NC(=O)[C@H](C#N)c2nc(C)c(C)s2)c1C 160094323 TYOZLCKVRBFPGC-ZDUSSCGKSA-N 299.399 3.623 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(F)c2)n1 161885086 KQXBZGYDDDXEQC-VIFPVBQESA-N 294.738 3.734 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 163325190 KNJNSRAIJKTJRM-QWRGUYRKSA-N 255.308 3.903 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1ccn(C)n1 171665330 LREZIBRSXSTBSN-UHFFFAOYSA-N 280.416 3.634 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1cccs1 173040912 DRNLRGBYKYMVAT-UHFFFAOYSA-N 285.372 3.694 30 20 CHED C[C@@H]1C[C@@H](C)CN(CCCCNCC(C)(C)CCC#N)C1 174273175 CMSMTCSRYKVIOB-IAGOWNOFSA-N 293.499 3.664 30 20 CHED C=CCCCC(=O)Nc1ccc(C)c(OCC(F)F)c1 175524147 UWLZUWXSONAIBG-UHFFFAOYSA-N 283.318 3.934 30 20 CHED C#CCCCCNC(=O)Nc1ccc(SC(F)F)cc1 177139245 BRSYPAJJHMUQRS-UHFFFAOYSA-N 298.358 3.926 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Sc1cccc(F)c1 177599202 KSUQQURQZZJIRX-LBPRGKRZSA-N 279.380 3.507 30 20 CHED COC(=O)c1cc(Cl)cc(NCCCC(C)(C)C#N)c1 177612770 MTXGIMYZJPEJNG-UHFFFAOYSA-N 294.782 3.868 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cn2cc(Cl)ccc2n1 178994918 VSFJWTIXUVDOFM-ONEGZZNKSA-N 286.718 3.785 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)Cc2cccc3ccccc23)C1 179949652 AGPVFGVBBOYKHN-CZUORRHYSA-N 279.339 3.618 30 20 CHED C[C@@H]1CC(C(=O)N(C)c2cccc(C#N)c2)C[C@@H](C)C1 183425944 CHANJAPXWURYJY-STQMWFEESA-N 270.376 3.593 30 20 CHED C[C@@H](C#N)CNCc1ccc(-c2ccccc2F)s1 183838712 QLQKUIIVMFSECQ-NSHDSACASA-N 274.364 3.803 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)COc1cccc2ccccc12 184914191 RKRUJKREICCNNK-MRXNPFEDSA-N 297.354 3.700 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCOc3c(Cl)cccc32)C1 185794917 KZEBNSZANQZIGX-YWPYICTPSA-N 290.794 3.836 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H]1CCC[C@@H]1C 185997999 OPBURPZRIZKKLO-MELADBBJSA-N 286.375 3.742 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1F 186001321 RQBQWEZSNODWEI-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CC[C@H](C(=O)N(CC)CC1CC1)c1ccccc1 187925364 JEPLOLUFDWASCF-INIZCTEOSA-N 257.377 3.605 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCc3occc32)CCC1 188023795 HXYIUBTZQBFUAM-CYBMUJFWSA-N 259.349 3.520 30 20 CHED C#CCCCN[C@H](C)c1ccc(Br)cc1F 188087667 MARFUKAUCWAKOJ-SNVBAGLBSA-N 284.172 3.652 30 20 CHED CC#CCCCC(=O)N(Cc1c(F)cccc1F)C1CC1 189991940 GZMUQIMDESYIKV-UHFFFAOYSA-N 291.341 3.649 30 20 CHED Cc1cc(-n2cccn2)ccc1NCc1ccc(C#N)cc1 190853905 CYJIOVCQARLCDQ-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2nc3ccccc3n2C)CCC1 192240621 ANQDYPQELSRQEL-ZDUSSCGKSA-N 298.386 3.924 30 20 CHED N#Cc1ccc(CN(C(=O)c2ccc(F)cc2)C2CC2)cc1 193049675 JLGUDMXTGNWRIC-UHFFFAOYSA-N 294.329 3.502 30 20 CHED C=CCCCCCN1CCn2c(nnc2-c2ccccc2)C1 193366258 OMCNHWNRHBMKIZ-UHFFFAOYSA-N 296.418 3.507 30 20 CHED N#Cc1c(CNc2ccc(F)c(F)c2)cn2ccccc12 193409002 SFOSDCCHKZKSDS-UHFFFAOYSA-N 283.281 3.701 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1C 194584393 YNIUGNDQORJAAG-CZUORRHYSA-N 285.391 3.909 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1c(C)nn(C)c1C 195175534 FQUCBPFJTQPLTA-MRBUWEIXSA-N 280.371 3.879 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1 206946025 VFMGLJINBKOSKL-WTKPLQERSA-N 274.266 3.870 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1cccc(C#N)c1 206976540 LUFYWULWPIWUCX-KHPPLWFESA-N 277.323 3.853 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(F)c2)c(OC)c1 213891706 LMECSPIQDWHORF-TWGQIWQCSA-N 286.302 3.739 30 20 CHED C=CCCOCCN[C@H](C)CC(C)(C)c1ccccc1 224759865 BNPFSJKRXQOPMZ-MRXNPFEDSA-N 275.436 3.925 30 20 CHED N#Cc1ccc(-c2nc([C@@H]3CCCCS3)no2)s1 231028800 KIWPAGDWSOFDIT-VIFPVBQESA-N 277.374 3.628 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)c1nccs1 235507037 RTPZDRQHIGSSJP-NSHDSACASA-N 251.399 3.514 30 20 CHED CCCCCCCCCCC(=O)N[C@H]1CC[C@H](O)CC1 245539917 JWGQQMQWIYAGIB-WKILWMFISA-N 283.456 3.937 30 20 CHED C=CCC[C@@H](O)CN1CCCCC[C@H]1c1ccco1 247622794 UALNYHOAYCMXIE-CABCVRRESA-N 263.381 3.524 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1ccc2ncccc2c1 255049447 PZTHQITXFUXECA-YFHOEESVSA-N 299.333 3.758 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1ccc(N(C)CCC#N)cc1 255215539 LPYYBYCQLOQGMJ-JTDSTZFVSA-N 299.462 3.951 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1 255916868 BZDYOTQIEGOWJK-FPLPWBNLSA-N 283.352 3.915 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(CC#N)cc1 266310801 AFUKMCTVAUNWDQ-OLZOCXBDSA-N 273.380 3.699 30 20 CHED C=CCCCCCN(C)C(=O)c1ccccc1C(C)=O 266899077 OXNXLHWVLPTKRA-UHFFFAOYSA-N 273.376 3.708 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)s1 274301720 GDTXVTUTZBZJNB-OWNNVSBGSA-N 296.823 3.859 30 20 CHED CN(C(=O)CC(C)(C)C#N)c1cc(Cl)cc(Cl)c1 278240167 ATKRCIOLXYQOKA-UHFFFAOYSA-N 285.174 3.896 30 20 CHED COc1cc(C(C)=O)ccc1S[C@H]1CC[C@H](C#N)C1 278696000 ZSXAFIHUYMIEHI-AAEUAGOBSA-N 275.373 3.682 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(OC2CCC2)c(F)c1 279056192 RZXGTKBLTYBCMZ-UHFFFAOYSA-N 290.338 3.635 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CCc1ccncc1 280141001 TXRJPTNXEXMKGD-UHFFFAOYSA-N 294.398 3.619 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCC[C@H](c2ncccc2C)C1 281182158 HTXPGDQFRLSYHY-ARFHVFGLSA-N 271.408 3.698 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 281628633 XLMSZKQGAYFQEK-QRTARXTBSA-N 275.367 3.790 30 20 CHED CC(C)N(C(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 284758496 UZCPGQGKDBSPIE-UHFFFAOYSA-N 288.366 3.881 30 20 CHED N#CCOc1ccccc1-c1nc(C2CCCCC2)no1 284907679 AWJHIJWQAVVPJI-UHFFFAOYSA-N 283.331 3.687 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(OCC(C)C)c1 285191296 RZWMEEYIPDRBSS-MRXNPFEDSA-N 274.364 3.600 30 20 CHED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(C#N)ccc1Cl 285580983 KXCRCGWGMNYIGV-GHMZBOCLSA-N 276.767 3.615 30 20 CHED C=C[C@@](C)(CCOC)c1nc([C@H](C)c2cccs2)no1 289166071 UVJXPFTXNFDMQZ-ABAIWWIYSA-N 292.404 3.763 30 20 CHED CC(C)(C#N)CCCCOc1cc(F)cc(C#N)c1 289687385 QCPSFZZHWWOJFF-UHFFFAOYSA-N 260.312 3.796 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1c(Cl)cccc1Cl 291352013 AEEPRRLMRKFUED-SNVBAGLBSA-N 285.174 3.661 30 20 CHED Cc1nc(N[C@@H]2CCOC3(CCCCC3)C2)ccc1C#N 291833262 GMBNLBKNZZVEHE-OAHLLOKOSA-N 285.391 3.556 30 20 CHED CC(C)(C#N)CCOc1cccc2c1C(=O)CC(C)(C)O2 292137259 TVBBRTWYFDNTTO-UHFFFAOYSA-N 287.359 3.749 30 20 CHED C=CCN(CCC#N)[C@@H](C)C(=O)Nc1ccccc1C(C)C 292222815 PCVFQCPXEAIYEO-HNNXBMFYSA-N 299.418 3.539 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCn3c(cc4c(Cl)cccc43)C2)C1 293959460 CICBFJIYJXATPO-CHWSQXEVSA-N 299.805 3.803 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 295753776 OIJFNIDHFJVLIX-SOLBZPMBSA-N 284.403 3.626 30 20 CHED CCC1(NC(=O)c2cc(C#N)ccc2Cl)CCCC1 296127612 LRPGKIUNFMSZJG-UHFFFAOYSA-N 276.767 3.664 30 20 CHED CCC[C@@H](OC)c1noc(/C=C/c2ccccc2C#N)n1 296500691 QAMZXJKYPMPTAJ-ATWMFIQVSA-N 283.331 3.599 30 20 CHED COc1ccc2c(c1)CN(c1c(Cl)cccc1C#N)CC2 301192117 IQHDZNOIVWHFBA-UHFFFAOYSA-N 298.773 3.783 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1ccc(C#N)cc1)C(C)C 303484038 ULRVQHGLEAVYCI-SFHVURJKSA-N 292.382 3.994 30 20 CHED N#Cc1c(F)cccc1OCc1sccc1Cl 304312213 KNNGFMJKAPLQJA-UHFFFAOYSA-N 267.712 3.991 30 20 CHED COc1cccc(N/C(N)=N/CCCCC2CCCC2)c1 304758733 QKIRRECLLGJGLO-UHFFFAOYSA-N 289.423 3.782 30 20 CHED Cc1nc(N(C)Cc2ccccc2)c(Cl)cc1C#N 307431085 XEXMNTFQZJRMDE-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CC(C)(C#N)CCCCN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 311991138 FMDIVDAZZUBCHK-VGWMRTNUSA-N 260.425 3.684 30 20 CHED Cc1cccc(CN(C)c2nc(C)c(C#N)cc2Cl)c1 313154671 SADOYUCMFCMUSN-UHFFFAOYSA-N 285.778 3.860 30 20 CHED Cc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1C 313515321 LNUXSXOZBFUMDO-UHFFFAOYSA-N 264.328 3.622 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@@H]1C[C@H]2CC[C@H]1C2 328838801 NZQOBUABQKCFDU-JBLDHEPKSA-N 291.420 3.519 30 20 CHED Cc1cc(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)nc(C(C)C)n1 328904294 JDQWDVNERPXOLV-ZYHUDNBSSA-N 289.379 3.502 30 20 CHED OC(=Nc1ccc2ccoc2c1)[C@H]1CCCOCC1 329961455 RPFYVERJFZJYTA-LBPRGKRZSA-N 259.305 3.838 30 20 CHED O/C(=N/C1CCC2(CC1)CC2)[C@H]1CCCc2n[nH]cc21 329975645 ZUUSFOGLSVARNQ-LBPRGKRZSA-N 273.380 3.509 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC[C@H]2CC=CCC2)cc1 331038029 AUXYBQAQQCJRHW-AWEZNQCLSA-N 282.387 3.574 30 20 CHED Cc1ccc2ncc(C#N)c(O[C@H]3C[C@@H](C)CCC3=O)c2c1 333710932 PVUSZQBSTIHGLE-SJCJKPOMSA-N 294.354 3.551 30 20 CHED N#Cc1ccc(-c2nc([C@@H]3CCCS3)no2)cc1Cl 335999069 KMRAKBGDRLDZSH-NSHDSACASA-N 291.763 3.830 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)c(Cl)c1 336566235 PRSVMZJACUIRJH-HNNXBMFYSA-N 278.783 3.707 30 20 CHED COc1ccc([C@H](C)Nc2ncc(C#N)cc2Cl)cc1 339132751 KLXXRIIDDPTKIX-JTQLQIEISA-N 287.750 3.788 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(C2CC2)C2(C#N)CCC2)C1 341586211 OLVHAMBLTWJWBF-KBPBESRZSA-N 274.408 3.640 30 20 CHED CCS[C@@H]1CCCC[C@@H]1Nc1nccc(C)c1C#N 343523514 GUJAJPNGXQCRNQ-UONOGXRCSA-N 275.421 3.738 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(Cc2ccccc2)c1 343949077 SGBCBBLRHDRUEE-UHFFFAOYSA-N 295.386 3.638 30 20 CHED CCC(C)(C)c1ccc(NC(=O)c2cnccc2C#N)cc1 345426615 HCHVNMVTESYQKU-UHFFFAOYSA-N 293.370 3.893 30 20 CHED C=CCn1cccc1-c1nc(-c2cccc3[nH]ccc23)no1 345996425 FSLSLPBLUPNIOD-UHFFFAOYSA-N 290.326 3.872 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cncc(F)c1 347071488 BTEWAYDAZOFWIL-UHFFFAOYSA-N 270.351 3.799 30 20 CHED C=CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1 347549876 BSYUCXZVFIBYKZ-UHFFFAOYSA-N 258.340 3.672 30 20 CHED COc1ccc(CN(C)c2ccc3cc[nH]c3c2)cc1C#N 348332697 VOKARJNNIICMHX-UHFFFAOYSA-N 291.354 3.685 30 20 CHED C=CCN(C(=O)C[C@@H](OCC)C(C)C)c1ccccc1 348468837 ZNIXUBPXMUWWFZ-MRXNPFEDSA-N 275.392 3.657 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2csc(C)n2)cc1 348656198 BMSWXPJJPBDQBJ-MRXNPFEDSA-N 299.399 3.997 30 20 CHED C=CCSCCN[C@@H](c1ccc(C)o1)C1CCC1 349520137 RKPYSMBKHCJLQZ-OAHLLOKOSA-N 265.422 3.938 30 20 CHED C=CCn1c(C)nnc1N(Cc1ccc(CC)cc1)C1CC1 351110833 CPUPTLPZMMTMEA-UHFFFAOYSA-N 296.418 3.504 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)cc(F)c2)CC1 353876821 MOOHWJBJZCRIRB-UHFFFAOYSA-N 251.276 3.650 30 20 CHED CCOCc1ccc(NCc2ccc(C#N)cc2)cc1 355387711 AFLFPGGYWVKUSN-UHFFFAOYSA-N 266.344 3.707 30 20 CHED C=CCC1(C(=O)N(C)CCOc2cccc(C)c2)CCC1 357834525 LLGMJXSZQFJVGC-UHFFFAOYSA-N 287.403 3.579 30 20 CHED C=CCN(CC=C)C(=O)c1ccc2c3c(cccc13)CC2 358624914 JBWWEEUJZUPMLF-UHFFFAOYSA-N 277.367 3.753 30 20 CHED CCOC(=O)C[C@H](C)SCc1ccc(Cl)cc1C#N 358791490 ONXNKYKKGVMOGO-JTQLQIEISA-N 297.807 3.787 30 20 CHED N#Cc1ccc(CNCc2ncoc2-c2ccccc2)cc1 360034931 GHQLCKIOTFACNT-UHFFFAOYSA-N 289.338 3.503 30 20 CHED C=C(Cl)CSCc1ncc(Br)s1 379326737 IXRXYTQVLFBBAU-UHFFFAOYSA-N 284.631 3.891 30 20 CHED N#CCC1CCN(Cc2ccccc2C(F)(F)F)CC1 397254128 CPVOTFJJRWXJLZ-UHFFFAOYSA-N 282.309 3.831 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H](C)CN(C)c2ccccc21 410526063 HVMDHASRSHCIRY-AWEZNQCLSA-N 286.419 3.708 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cccc2ccccc12 410825132 FIWZPYZHIDOCGM-AWEZNQCLSA-N 266.344 3.604 30 20 CHED C[C@H](CCC#N)N(C)CCCc1cc(-c2ccccc2)no1 411210023 DIBTTWVGTBTGEF-OAHLLOKOSA-N 297.402 3.898 30 20 CHED N#Cc1ccnc(SCCC2(C#N)CCCCC2)c1 412988020 BXFCBGRDRZYKQH-UHFFFAOYSA-N 271.389 3.910 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C)C1 413810901 AKNIWMNBTNYBDI-DOTOQJQBSA-N 286.419 3.615 30 20 CHED C[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 416113091 WLWJPZOXZLCOIX-BLLLJJGKSA-N 284.403 3.734 30 20 CHED Cc1nc(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)ccc1C#N 416295456 TYIPKYNLRLGHSF-HOCLYGCPSA-N 299.418 3.549 30 20 CHED CC(C)c1nnc(CSCCCCC#N)s1 419535676 LNLVXZREVJKUMA-UHFFFAOYSA-N 255.412 3.589 30 20 CHED C=CCC(C)(C)c1noc([C@H](CC(C)C)OC)n1 420504685 PGXKKVSUHNGOSU-NSHDSACASA-N 252.358 3.657 30 20 CHED CCN(C(=O)[C@]12CCC[C@H]1C2)[C@H](C)c1ccc(C#N)cc1 421438669 RLVZXSYTEPWSOS-SKDZVZGDSA-N 282.387 3.658 30 20 CHED CCCCN(CCCC)C(=O)NCc1ccc(C#N)s1 422213609 GGXKMYQMDKILQM-UHFFFAOYSA-N 293.436 3.732 30 20 CHED Cc1cccnc1[C@H]1CCC[C@@H](N[C@@H]2CC[C@H](C#N)C2)C1 424322138 HXAMONOQLKGSJM-MWDXBVQZSA-N 283.419 3.698 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCC1CCC1 425125905 HHBZFRRBPCTBES-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccnc(SCC)c1 427889032 ZJRUIEYJRVBFEV-CHWSQXEVSA-N 264.438 3.884 30 20 CHED C=CCOc1cccc(NC(=O)C(C)(C)CC=C)c1 429820740 MIXDQDFAFPLVAE-UHFFFAOYSA-N 259.349 3.792 30 20 CHED C=CCN(CCC#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 430089719 LEWFLBLCIDEPDM-MSOLQXFVSA-N 268.404 3.898 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](c1ccccc1)C(C)(C)C 436128500 HMAXKJWBXCSGSD-MRXNPFEDSA-N 296.370 3.977 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)C[C@H](C)CC 436300552 JPIFUIKVUPPYRM-WCVJEAGWSA-N 253.430 3.772 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(C)c(C)c1 436311222 RXPQDDWPPBFZIB-JQHSSLGASA-N 273.420 3.935 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(C#N)c1 437654473 WQPLXWHYGBABTH-CJNGLKHVSA-N 285.391 3.991 30 20 CHED CN(CCC#N)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 438063688 RHEZKVSZDRMVMG-UHFFFAOYSA-N 292.810 3.671 30 20 CHED Cc1ccccc1C(C)(C)CN[C@@H]1CC[C@@H](C#N)C1 442780742 LGYHXUFIBYUQKX-HUUCEWRRSA-N 256.393 3.555 30 20 CHED N#C[C@H]1CC[C@H](NCC2(c3ccc(F)cc3Cl)CC2)C1 442847206 PWOGQQUYWPPRHE-AAEUAGOBSA-N 292.785 3.793 30 20 CHED C[C@H]1CC[C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)n1 443508057 JLDWEWWJNVQODW-ZJUUUORDSA-N 283.297 3.597 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(OC(C)C)cc1Cl 445001567 VJXRTJZLOCFBSC-JTQLQIEISA-N 282.771 3.823 30 20 CHED CC[C@@H](NCCOc1cccc(F)c1)c1ccc(C#N)cc1 447543367 RXQJASDJEPBONI-GOSISDBHSA-N 298.361 3.817 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 448685249 VMQBFRWSJJBBCC-SJORKVTESA-N 271.404 3.995 30 20 CHED Cc1cccc(C)c1OCCNC1CCC(C)(C#N)CC1 449087807 WVPBYSRRMJZEKA-UHFFFAOYSA-N 286.419 3.744 30 20 CHED C=CCC1(CNC/C=C/c2ccncc2)CCCC1 449605951 OQQFYDKTFOVXGH-AATRIKPKSA-N 256.393 3.821 30 20 CHED C=CCC1(C(=O)N2CC[C@H](OCC(C)C)C2)CCCCC1 450109448 AYTKZFGLFODFFM-INIZCTEOSA-N 293.451 3.787 30 20 CHED CCN(Cc1c(C)cccc1Cl)C[C@H](C)C#N 450331087 VGEVQBJHXNPZLM-LLVKDONJSA-N 250.773 3.630 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2c2nccc(C#N)n2)cc1 450369610 QPTRUGBZVMWWRC-YOEHRIQHSA-N 292.386 3.634 30 20 CHED CCOc1ccc2nc(S[C@@H]3CC[C@H](C#N)C3)[nH]c2c1 450621275 ICGBIXFJEKBFSB-CMPLNLGQSA-N 287.388 3.746 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCO[C@@H]2C(=C)C)CCCCC1 451391876 JOGSGPAPLFWFNP-JKSUJKDBSA-N 291.435 3.610 30 20 CHED Cc1cccc(-c2cnc(NC(=O)[C@@]3(C#N)C[C@@H]3C)s2)c1 451760162 NBGGWKKWUXBHKJ-MEDUHNTESA-N 297.383 3.607 30 20 CHED CCC[C@@H](NC(=O)Cc1c(F)cccc1C#N)C(C)(C)C 452662497 AMEVKIRPGRUKHM-OAHLLOKOSA-N 290.382 3.571 30 20 CHED N#Cc1cc(NCc2ccnn2C2CCCC2)ccc1F 453049437 QVHGVAYEXQTFBA-UHFFFAOYSA-N 284.338 3.621 30 20 CHED C=CCOc1ccccc1CN[C@@H](CC)c1ccncc1 453110081 NUVLSITYFSEHIO-KRWDZBQOSA-N 282.387 3.887 30 20 CHED C=CCCc1noc(/C=C(\C)c2ccc(OC)cc2)n1 453237841 PCSYSHPFWUUUPC-VAWYXSNFSA-N 270.332 3.757 30 20 CHED CC(C)[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@@H]1C(C)C 454166785 JVMDTLZZIYEZBM-HZPDHXFCSA-N 285.391 3.703 30 20 CHED C[C@@H]1C[C@@H](NCC(C)(C)CC#N)CCN1Cc1ccccc1 459726283 DSWKYXIBOQIJCJ-AEFFLSMTSA-N 299.462 3.569 30 20 CHED C=CCN=c1[nH]nc(S[C@@H](C)c2cccc(C)c2)s1 463035888 IQWLGWMAIQCDPZ-NSHDSACASA-N 291.445 3.720 30 20 CHED CC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 463666767 UBYKUARFRIAPNX-HNNXBMFYSA-N 295.342 3.900 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@@H](c2ccc(F)cc2)C1 468943740 KAAXUTHRCFBUKR-OAHLLOKOSA-N 298.336 3.826 30 20 CHED CC(C)C[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 469092024 ZDMFQPVSGFKOSO-LBPRGKRZSA-N 277.799 3.869 30 20 CHED C=CCCCN1CC[C@H](c2c(F)cccc2F)C1 469453384 YHZGUVDCJJQPME-LBPRGKRZSA-N 251.320 3.720 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C(C)(C)C(F)F 470870592 ZJEGEKKLSRWDOT-UHFFFAOYSA-N 281.346 3.535 30 20 CHED CC#CCCNC(=O)N[C@@H](C)c1cccc2ccccc12 482633284 RUROJRLWWSKDFQ-AWEZNQCLSA-N 280.371 3.613 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(CC#N)c1ccccc1 483414966 WAXGRRAPZZQYKY-GDBMZVCRSA-N 270.376 3.760 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)c(F)cc1Cl 487453343 CSQVLFHUSPPRNC-VIFPVBQESA-N 270.735 3.874 30 20 CHED Cc1cc(C)c(CNC(=O)c2cccc(F)c2C#N)c(C)c1 487727522 JMHCSKQEOMAYRS-UHFFFAOYSA-N 296.345 3.553 30 20 CHED Cc1nc(N2CC[C@@H](Cc3ccccc3)[C@H]2C)ccc1C#N 488119240 COLUFPHAQSABDV-WBVHZDCISA-N 291.398 3.719 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1nc(CC)c(C)s1 488491884 DVZAOUGBTAHFGF-LLVKDONJSA-N 279.409 3.586 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc([C@H](C)OC)c1 488843160 VAEXMEGTFBPWLP-ZDUSSCGKSA-N 284.359 3.634 30 20 CHED C#CCN(CC)C(=O)c1sccc1-c1ccccc1 490897494 BZKOLAINZAAMAM-UHFFFAOYSA-N 269.369 3.510 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)Cc1ccccc1 494885889 KOYBXVPQIQIXAF-IAGOWNOFSA-N 286.419 3.758 30 20 CHED C=C(C)CON=C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 496183107 ZECKVXCJJMIKPG-UONOGXRCSA-N 296.411 3.601 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCCc1ccc(Cl)cc1 500810193 VUOAJPZDBIQEKS-CYBMUJFWSA-N 292.810 3.671 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Cc2c(F)cccc2C#N)c1 507787194 DEIVKEOQLMITJJ-UHFFFAOYSA-N 296.345 3.520 30 20 CHED Cc1ccc2c(c1)[C@@H](NCCc1cccc(C#N)c1)[C@@H](C)C2 514692205 NPCZIDBCVWIWOC-YWZLYKJASA-N 290.410 3.932 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 516944228 YYAOKZQLNAYBJJ-OUAUKWLOSA-N 288.416 3.729 30 20 CHED C[C@@]1(Cc2cccc(F)c2)CCCN1c1ccc(C#N)cn1 519546822 VVIDENWPSACBMX-SFHVURJKSA-N 295.361 3.694 30 20 CHED C=CCCCSc1n[nH]c(/C=C/c2ccc(C)o2)n1 524229957 JZEIERNMCWDDOX-CMDGGOBGSA-N 275.377 3.935 30 20 CHED CN(C(=O)C(C)(C)C#N)c1ccc(-c2ccccc2)cc1 525202220 IMQMULYMPVEKMA-UHFFFAOYSA-N 278.355 3.866 30 20 CHED N#Cc1csc(C(=O)NC2(Cc3ccccc3)CCC2)c1 532126051 VBMGGLWBHHNHCU-UHFFFAOYSA-N 296.395 3.515 30 20 CHED C=CCOc1cccc(-c2noc(CCCC)n2)c1 532846670 ORNSWFDRIGFSPL-UHFFFAOYSA-N 258.321 3.644 30 20 CHED Fc1ccc(C#CCN2CC[C@H](c3ccccc3)C2)cc1 533326137 MNSPDCLELJUCNI-SFHVURJKSA-N 279.358 3.667 30 20 CHED CCCCOCCCN[C@H](C)c1ccc(C#N)c(F)c1 537400504 CMBWEKFHWGYDBW-CYBMUJFWSA-N 278.371 3.555 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@@H](C)C1 538462515 NGRKORCISXZUEZ-CRAIPNDOSA-N 298.430 3.979 30 20 CHED CC#CCNc1cc(C(=O)Nc2ccccc2)ccc1C 539516227 LRTCUMYNCZXWND-UHFFFAOYSA-N 278.355 3.683 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(F)ccc1C 540463087 DVFIFXPNTDRMTB-UHFFFAOYSA-N 279.355 3.836 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)SCCCC 540530807 BPJYMHHAIJIJEP-QWHCGFSZSA-N 257.443 3.769 30 20 CHED C=C(C)CN1CCC(NC[C@@H]2CCC[C@@H](CC)C2)CC1 544111901 GYDZGDCNAAZTLE-IAGOWNOFSA-N 278.484 3.833 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C2)C1 554032271 XUNJGYAFZLRQLS-KKUMJFAQSA-N 264.413 3.563 30 20 CHED C/C(=C\c1ccccc1)CN(C)CCC(C)(C)C#N 554263226 IDHQDKQRMYYSNC-NTCAYCPXSA-N 256.393 3.962 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H](C)C(CC)CC)cc1 560709493 GENOUIHWABWLJS-AWEZNQCLSA-N 289.419 3.940 30 20 CHED Cc1cccc([C@@H](C)N=c2[nH]ccc(C#N)c2Cl)c1C 561232035 NJIMMUNQBQNMFC-GFCCVEGCSA-N 285.778 3.819 30 20 CHED N#Cc1cncc(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 561454273 FXRGAICTZDCCDU-JSGCOSHPSA-N 298.777 3.750 30 20 CHED Cc1csc(NC(=O)NCC2(C)CCCC2)c1C#N 562442125 JXYDIRFVMRZFKS-UHFFFAOYSA-N 277.393 3.630 30 20 CHED C=CCn1c(CC2CCCCC2)nnc1N(C)C1CCC1 564382495 XKFAPXNRJXWLRM-UHFFFAOYSA-N 288.439 3.576 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CCC[C@H](F)C1)CCCC2 571202704 GQBRDNPIGCLXBK-UONOGXRCSA-N 273.355 3.525 30 20 CHED CC(C)[C@@H](Nc1ccnc(C#N)n1)c1ccc(Cl)cc1 576003400 WIVHLRWGLOPWLA-OAHLLOKOSA-N 286.766 3.811 30 20 CHED C=CCOCCCN(Cc1ccc(OC)cc1)C(C)(C)C 577557436 FKJMEFDGQJYRSJ-UHFFFAOYSA-N 291.435 3.888 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(Cl)c1Cl 577715934 RGWNCQWJLQVIBT-KCJUWKMLSA-N 286.158 3.523 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(CCC#N)CC1 582603312 UKWYEWIPQBTHIG-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED O=C(/C=C\c1nccn1-c1ccccc1)c1cccs1 588578318 GCMDNMYXNSHCCY-HJWRWDBZSA-N 280.352 3.830 30 20 CHED COCC1(CCN[C@@H]2CCCc3cc(C#N)ccc32)CCC1 590259534 FRXCDSLOYKMRIV-GOSISDBHSA-N 298.430 3.732 30 20 CHED N#CCC1CCN(Cc2cc3cc(Cl)cnc3o2)CC1 590648924 AXXHEAYQXXYFTC-UHFFFAOYSA-N 289.766 3.607 30 20 CHED C[C@H](c1ccccc1)n1cc(N[C@H]2CC[C@H](C#N)C2)cn1 592393727 KKJURIBXNIAXSC-YCPHGPKFSA-N 280.375 3.597 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc2ccncc12 592608424 UTSMEYRJPYSUJI-UHFFFAOYSA-N 295.386 3.827 30 20 CHED N#Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cn1 592985597 OJSYKKULWWHALH-UHFFFAOYSA-N 277.371 3.606 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 593453913 SAGIJMQTNGJCLR-STQMWFEESA-N 290.432 3.914 30 20 CHED COc1ccc([C@H](C)COc2ccc(C#N)cc2OC)cc1 594880830 FZTBMCYLKHOMOL-CYBMUJFWSA-N 297.354 3.758 30 20 CHED N#CC[C@H]1CCCN(Cc2cscc2Cl)C1 597175549 BKHZBUBYWQOTTC-SNVBAGLBSA-N 254.786 3.527 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCCc1ccc(C#N)cc1 597894999 YOKDUZSSLXPNCZ-KRWDZBQOSA-N 286.419 3.679 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(Cl)cc1Cl)C1CC1 598123743 LDQXBXLJTUKXDN-QMMMGPOBSA-N 283.158 3.510 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cnc(C2CC2)o1 600167787 XXIOFTILGFDHDF-GFCCVEGCSA-N 281.359 3.617 30 20 CHED C=CC1CCN(CCOc2cccc(Cl)c2)CC1 601067383 GRFJXUFKJDNKCJ-UHFFFAOYSA-N 265.784 3.617 30 20 CHED Cc1ccccc1-n1ccnc1S[C@@H](C#N)C1CC1 601072681 PGCILZMZZRTMOP-AWEZNQCLSA-N 269.373 3.575 30 20 CHED C[C@H](Cc1nnc(S[C@@H](C#N)C2CC2)o1)c1ccccc1 601072963 YYHJYWJCNDDTMO-RISCZKNCSA-N 299.399 3.810 30 20 CHED CCCC[C@H](CC)CN[C@@H](C)CC1(C#N)CCOCC1 602502646 HURXQRYVZTXYRU-HOTGVXAUSA-N 280.456 3.891 30 20 CHED CC(C)COC[C@@H](NC[C@H](C)CCC#N)c1ccco1 602529311 GAWHKVKTQNLNKS-HUUCEWRRSA-N 278.396 3.523 30 20 CHED CC1(C)CC[C@H](NCc2cccc(C#N)n2)c2ccccc21 602544582 MLYKLVTVXTZISF-SFHVURJKSA-N 291.398 3.856 30 20 CHED CO[C@H](CNC[C@H](C)CCC#N)c1ccccc1Cl 602574193 SJCNHLPAWVXZHG-IUODEOHRSA-N 280.799 3.557 30 20 CHED C[C@H](CCC#N)CNC[C@H](c1ccccc1)C1CC1 602668098 BOMLFVNXDSRQKL-RHSMWYFYSA-N 256.393 3.710 30 20 CHED Cc1ncn(-c2ccc(NC[C@H](C)CCC#N)cc2)c1C 602676261 KVHYFAXULBQAJZ-CYBMUJFWSA-N 282.391 3.841 30 20 CHED CCCC[C@H](CC)CC(=O)NCC#Cc1ccccc1 604973312 QKAQJLSIGJCVOG-INIZCTEOSA-N 271.404 3.761 30 20 CHED C=CCCCN(C)CCCc1cc(-c2ccccc2)n[nH]1 605150420 XISYDSNTBRQIQQ-UHFFFAOYSA-N 283.419 3.907 30 20 CHED C[C@H]1CCc2c(sc(NC(=O)CCC3CC3)c2C#N)C1 609640588 HTXNSNOYKPFHOP-JTQLQIEISA-N 288.416 3.873 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H](C)c1ccco1 610196957 MZBMVKNOJAEYST-ZDUSSCGKSA-N 276.380 3.562 30 20 CHED Cc1cccc2c1CC[C@@H]2N=c1c(C#N)c[nH]c2ccccc12 610278877 LSVCSDRNYNBKDC-IBGZPJMESA-N 299.377 3.936 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 611249617 FVGWUWMSJLLAAD-HZPDHXFCSA-N 272.392 3.625 30 20 CHED CC[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612357481 DFYQPULIHFTRGN-YJBOKZPZSA-N 299.418 3.515 30 20 CHED Cc1cc(C#N)ccc1CN1Cc2ccccc2C[C@@H]1C 614400822 HKACPEBFSLCBHB-HNNXBMFYSA-N 276.383 3.814 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNCC(C)(C)C#N 615506873 IZUPBKVTLKQXLW-UHFFFAOYSA-N 270.298 3.653 30 20 CHED CC1(CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 619417691 AZCLBDLEQFWNBV-UHFFFAOYSA-N 297.185 3.785 30 20 CHED FC(F)(F)c1ccc(C#CCN(C2CC2)C2CC2)cc1 625838541 DWQDYNMOZKNTBX-UHFFFAOYSA-N 279.305 3.684 30 20 CHED C=CCCCC[C@@H](C)N[C@H](c1cnn(C)c1)C(F)(F)F 628273658 CFANCFKBBOYCAF-DGCLKSJQSA-N 289.345 3.748 30 20 CHED C=CCC1(NC(=O)NCc2ccc(C)s2)CCCC1 663574307 QNXAJSKMOFROCA-UHFFFAOYSA-N 278.421 3.745 30 20 CHED C=C(CN[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 675784552 YWACSXCEMSPUPV-OAHLLOKOSA-N 295.382 3.822 30 20 CHED C=C(C)CN(C)C[C@@H](C)Cc1ccc(OC)c(F)c1 680676085 OJIAVEXUPMDLGA-ZDUSSCGKSA-N 265.372 3.521 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCc2ccccc2C1 683835633 YDOBRDZBKJUJGK-YJBOKZPZSA-N 298.430 3.542 30 20 CHED N#Cc1cccc(CSc2nccn2C2CC2)c1F 689781702 KJVKRNLIANUCML-UHFFFAOYSA-N 273.336 3.521 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cccc2cccnc12 695843098 OBULGPJZAYSERA-CYBMUJFWSA-N 267.376 3.653 30 20 CHED C[C@H]1[C@H](N[C@H](C)CC(C)(C)C#N)CCN1Cc1ccccc1 695866440 YVIIATOPFHYAIZ-SOLBZPMBSA-N 299.462 3.567 30 20 CHED CCCCCCC[C@@H](C)NC[C@](C)(O)C(F)(F)F 705021921 TWMZDBJGEMEILO-NEPJUHHUSA-N 269.351 3.638 30 20 CHED C[C@@H](COCc1ccccc1)COc1ccc(C#N)cc1F 719614889 VPBWPCNNXHJFCK-AWEZNQCLSA-N 299.345 3.929 30 20 CHED CC1=CC(=NNC(=S)Nc2ccc(C)cc2)CCC1 727254835 YPZGXSULZICLFP-UHFFFAOYSA-N 273.405 3.768 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](C)CC(C)C 727667161 HILYLMUWNLFPAZ-HNNXBMFYSA-N 289.394 3.860 30 20 CHED N#Cc1cccc(/C=C2/Oc3ccc(Cl)cc3C2=O)c1 729151130 OWAWMICORKVVTD-VIZOYTHASA-N 281.698 3.828 30 20 CHED C=CC[C@@H](NC(=O)Cc1cc(C)ccc1C)c1ccncc1 734354764 RFOBMKVYYIXMDU-GOSISDBHSA-N 294.398 3.675 30 20 CHED C=CC[C@@H](NC(=O)NC1CCCCCC1)c1ccncc1 734652124 GIUCHNOTCNGQFD-MRXNPFEDSA-N 287.407 3.721 30 20 CHED C=CCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 735492939 LAJXPQJPQJYWJH-INMHGKMJSA-N 259.393 3.803 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 736243296 ZFUGSTMQTQQJPR-LBPRGKRZSA-N 295.810 3.620 30 20 CHED COc1cccc(O)c1/C=N/[C@H](Cc1ccccc1)C1CC1 736431226 YYWNWNKLZQHION-UOBPLZBXSA-N 295.382 3.841 30 20 CHED C=CCNC(=S)NC(c1cccs1)c1cccs1 737449106 MVXSTRZUSMYQJP-UHFFFAOYSA-N 294.470 3.549 30 20 CHED C#CCOc1ccc(C(=O)N(CC)[C@@H]2CCCC[C@H]2C)cc1 741553325 JEIUWQMNBWPQBG-CRAIPNDOSA-N 299.414 3.739 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCC(C)(C)CCC#N)c1 742370913 AKPULRZUHJUZLP-MRXNPFEDSA-N 299.418 3.787 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CC[C@@H](C)C2)c1 742371017 FSRLKSAJPDKOHF-VNQPRFMTSA-N 272.392 3.646 30 20 CHED C=CCOc1ccc(OC(=O)/C=C\c2ccccc2)cc1 742861789 FWWCZHHXWHKMAP-JYRVWZFOSA-N 280.323 3.870 30 20 CHED COCc1cccc(C=NNc2c(F)cccc2F)c1 743440363 KCVBAIVSOOEPEX-UHFFFAOYSA-N 276.286 3.557 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 744371244 OTKPOOVZJRBNSV-SECBINFHSA-N 296.292 3.952 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H](C)c2ccc(OC)cc2)c1 745625201 UIESZVWRWMJIJN-KZKLBEMASA-N 299.370 3.980 30 20 CHED CCC(C)(C)CC(=O)OCc1cn2ccccc2c1C#N 745777724 VLVDZKQLSICJDO-UHFFFAOYSA-N 284.359 3.680 30 20 CHED CC(=NNc1ccc(C)nn1)c1cc2cc(C)c(C)cc2o1 749164707 LLCBQSNZKQMSQC-UHFFFAOYSA-N 294.358 3.984 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)Oc2ccc(F)cc21 749745773 FWDAXUWSGNFTLG-NSIKDUERSA-N 276.213 3.720 30 20 CHED CC1CCC(C)(NC(=O)/C=C/c2ccccc2C#N)CC1 749828960 SMNPMSRSDAXWPB-BQYQJAHWSA-N 282.387 3.656 30 20 CHED C[C@H](Cc1ccncc1)/N=C\c1c(O)ccc2ccccc12 749844893 NGKICINZKSLTEV-SFDYMUJDSA-N 290.366 3.991 30 20 CHED C[C@H](COC(=O)c1ccc(C#N)s1)c1ccccc1 750396228 WQSDGCMAHZSQRL-LLVKDONJSA-N 271.341 3.580 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccccc2C2CC2)c1 751130598 DQVNBVKOXFEOKV-UHFFFAOYSA-N 281.315 3.918 30 20 CHED C[C@@H]1CCC(=NOCC(F)(F)F)c2ccccc21 752733622 FEYZYEBLHOJDFJ-SECBINFHSA-N 257.255 3.867 30 20 CHED CCCCCCCCCNC(=O)N[C@H]1CCOC(C)(C)C1 754131496 UISTXUAAVNWWCX-HNNXBMFYSA-N 298.471 3.994 30 20 CHED CCCCCCCCN[C@H](CC)c1ccn(C)n1 756664714 OZMVWDCOQBJGNL-CQSZACIVSA-N 251.418 3.821 30 20 CHED CCn1cc(/C=C2/CCc3c(Cl)cccc3C2=O)cn1 758038341 CKMZHVYNOTWUMY-WQLSENKSSA-N 286.762 3.769 30 20 CHED COc1ccc(CNN=Cc2c(C)oc3ccccc23)cc1 758108134 QRWSXIJLBUUFEB-UHFFFAOYSA-N 294.354 3.874 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccc(OCC(F)(F)F)cc1 758375328 QTXRHOUHSMPTPS-NXEZZACHSA-N 272.270 3.681 30 20 CHED CCCCCCCCOC(=O)[C@H]1CCC(=O)[C@@H](C)C1 761453780 ACYVXVAAGJNQRN-KBPBESRZSA-N 268.397 3.895 30 20 CHED C[C@@H](C#N)OC(=O)c1cc2ccccc2cc1OC(F)F 761511383 SRUPRPWLHMYNEP-VIFPVBQESA-N 291.253 3.510 30 20 CHED N#Cc1cccc([C@@H]2CN(CCC3CCCCC3)CCO2)c1 761758236 FEGMZFGWBJHTDC-IBGZPJMESA-N 298.430 3.902 30 20 CHED CSc1ccc(C(C)=NNC[C@H](C)C#N)c(Cl)c1 763370366 OWBSSYYINBRRAU-SECBINFHSA-N 281.812 3.535 30 20 CHED Cc1cc(OC(=O)CCCOc2ccccc2)ccc1C#N 765100410 WEGJXXNJYOGXTN-UHFFFAOYSA-N 295.338 3.631 30 20 CHED Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C#N)C(C)(C)C 765631888 ZEMRRQUJZHRRQA-ZDUSSCGKSA-N 298.342 3.745 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)cc1C 765825588 QGRCVLJOBQIEET-WAYWQWQTSA-N 286.352 3.959 30 20 CHED C#CCCCSc1nnc(-c2cc3ccccc3o2)o1 766292993 NCGSPKKZVYRFAR-UHFFFAOYSA-N 284.340 3.988 30 20 CHED COc1cc(C)c(/C=C\C(=O)c2cncc(C)c2)cc1OC 767366442 KHISMDMRBXNQQH-WAYWQWQTSA-N 297.354 3.612 30 20 CHED CCC(=NNCC(F)(F)F)c1ccc(Cl)cc1 769822144 QWYOYUHGNGOSSN-UHFFFAOYSA-N 264.678 3.606 30 20 CHED C=CCCCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 771094344 JDIYVPTVZBDOAX-UHFFFAOYSA-N 297.742 3.726 30 20 CHED C=CCN(c1nc(C(F)(F)F)nc2ccccc12)C1CC1 771717142 JRDXOILVDHLTAU-UHFFFAOYSA-N 293.292 3.803 30 20 CHED CC1(C)CCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F 772608119 LDOXELARDHWXFN-CYBMUJFWSA-N 275.323 3.567 30 20 CHED CC[C@H](N[C@@H]1CC[C@@H](SC)C1)c1ccc(C#N)cc1 774216784 ZNLUWUKLXGGTJC-OAGGEKHMSA-N 274.433 3.883 30 20 CHED CCC(CC)CNN=Cc1cnc(-c2ccccc2)nc1 774476204 DJNSHARTLIZJIH-UHFFFAOYSA-N 282.391 3.503 30 20 CHED COc1ccc(CC(C)=NOC2CCCC2)cc1OC 774607711 HORDSBLERCFRHU-UHFFFAOYSA-N 277.364 3.581 30 20 CHED C=CCOc1cccnc1C(=O)Oc1cccc(Cl)c1 775232274 KQWDGZSKEMMGIE-UHFFFAOYSA-N 289.718 3.519 30 20 CHED Cc1nc(CN[C@@H]2CCCc3cc(C#N)ccc32)sc1C 775397097 TZWKDKDTNBGMMP-MRXNPFEDSA-N 297.427 3.799 30 20 CHED C#C[C@H](N[C@@H](CC)c1cccc(Cl)c1)[C@@H]1CCCO1 775573232 XSHBTRRJMAUDEK-JYJNAYRXSA-N 277.795 3.562 30 20 CHED O=C(C=NO[C@H]1CCCc2ccccc21)Nc1ccccc1 775676941 CCRURBIQJGLGMR-KRWDZBQOSA-N 294.354 3.705 30 20 CHED N#Cc1c(F)cccc1C(=O)OCc1ccccc1Cl 777402941 PGCZPLWGIPIVAG-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1ccnc(Cl)c1OCc1ccc(C#N)cc1F 779643774 YQZPHHXGHBMTQH-UHFFFAOYSA-N 276.698 3.633 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1cnnc(O)c1Cl 779765977 BYGATUGSDKWMSX-SECBINFHSA-N 284.791 3.696 30 20 CHED c1ccc(C2CCC(=NN=c3cc[nH]cc3)CC2)cc1 779811331 PUDKGACQUOGIMN-UHFFFAOYSA-N 265.360 3.629 30 20 CHED Cc1cccc(C=NNc2ccc3[nH]ncc3c2)c1C 779816888 APXDEDCZOYLBQR-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C#CC[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1 781759059 CKJYIIYRNWMAQA-HZPDHXFCSA-N 269.388 3.694 30 20 CHED N#CCC1CCN(C(=O)Nc2ccc3ccccc3c2)CC1 781801419 VBWAHJBJBPWOMX-UHFFFAOYSA-N 293.370 3.997 30 20 CHED CCC(CC)NN=Cc1cn(C)nc1C1CCCCC1 783847763 YXSYAGXJVVQXDJ-UHFFFAOYSA-N 276.428 3.580 30 20 CHED CC(C)=C(C)C(=O)OCc1ccc(C#N)cc1Cl 784230891 TXXOQQDVVVJQJB-UHFFFAOYSA-N 263.724 3.611 30 20 CHED CC(=NNC1CCCCC1)c1cc(F)ccc1F 786041646 AMXWBFUVEVIIJL-UHFFFAOYSA-N 252.308 3.611 30 20 CHED C=C[C@H]1CCCCN1Cc1cccc(Br)c1O 787311711 YHOGKNUJNYPJMZ-LBPRGKRZSA-N 296.208 3.695 30 20 CHED C#CCC1(C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)CCCCC1 788194944 PFNMKMKWUVFRTM-HRCADAONSA-N 273.420 3.513 30 20 CHED CC(C)N(C)c1ccc(/C=C\C(=O)c2ccccc2O)cn1 790222814 XAOGGBJBKGCEAU-NTMALXAHSA-N 296.370 3.528 30 20 CHED Cn1ccnc1NN=C1CCC[C@@H]1c1ccccc1Cl 790299618 GJDSWNSGFDPUQY-GFCCVEGCSA-N 288.782 3.809 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC2(CCCCC2)CC1 791065590 VPILZSOIFWAQEX-HNNXBMFYSA-N 276.424 3.544 30 20 CHED CSCCON=C1CCOc2c(C)cc(Cl)cc21 794574542 IQDFPVFHOGTSHY-UHFFFAOYSA-N 285.796 3.515 30 20 CHED CCn1cc(C/N=C/c2cc(Cl)cc(Cl)c2O)cn1 794675651 DYYDITVNVRQJGR-FRKPEAEDSA-N 298.173 3.535 30 20 CHED C=CCN(C(=O)[C@H](C)Cn1ccc2ccccc21)C(C)C 796137127 FEFXPHJTANSNIG-OAHLLOKOSA-N 284.403 3.700 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SC/C(C)=C/Cl 797808517 KLCZOECWLPNXNZ-VNKGSWCUSA-N 275.845 3.675 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1cc(C#N)oc1C 797887314 KHGZPMZRUKTMLC-LLVKDONJSA-N 269.300 3.686 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3c(c2)CC(C)(C)O3)no1 798230413 NHPFTSICTOWJGV-GQCTYLIASA-N 283.327 3.593 30 20 CHED C#CCN(CC#N)Cc1ccc(Oc2ccccc2)c(F)c1 799199697 CJYMESSBBZYAEB-UHFFFAOYSA-N 294.329 3.577 30 20 CHED C[C@@H]1CC[C@H](C=NNc2cc(F)c(F)cc2F)C1 800812537 HGTGDXFCFNUXML-BDAKNGLRSA-N 256.271 3.938 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1csc(C2CCCC2)n1 803783709 CNHNVEGRSHWBBV-HNNXBMFYSA-N 292.404 3.784 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccc(C(F)F)cc1 804834384 AQESRRNZQBDUGX-UHFFFAOYSA-N 299.320 3.900 30 20 CHED N#CCCCCCC(=O)OCc1ccc2ccccc2n1 805696307 DKAGACSNLOQERV-UHFFFAOYSA-N 282.343 3.752 30 20 CHED C[C@H]1CC(=NNc2nncc3ccccc23)c2ccccc21 807946779 TXFVHFSZLCIORX-LBPRGKRZSA-N 288.354 3.953 30 20 CHED CSc1ccc2c(c1)CCCC2=NN[C@@H]1CCSC1 808000247 HTWPOQLCPJZNRZ-GFCCVEGCSA-N 292.473 3.544 30 20 CHED C#CCCc1noc(C[C@H]2C[C@@H](C)c3c(C)cccc32)n1 809397382 QCJNBSABLUVYTL-ZIAGYGMSSA-N 280.371 3.777 30 20 CHED C#Cc1ccc(CNc2cccc(-c3ncco3)c2)cc1 809601285 WOLNBWXETZRUJG-UHFFFAOYSA-N 274.323 3.935 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 809776192 YJPSFRAOWWJZSR-BXKDBHETSA-N 299.201 3.871 30 20 CHED C=CCCCCC[C@H](C)Nc1ccc(C2(O)COC2)cc1 809782044 HMQOMNVAYSVREL-HNNXBMFYSA-N 289.419 3.841 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](CCC)CCCC 810480136 YLFKAIMCDJDCBM-KRWDZBQOSA-N 271.404 3.686 30 20 CHED C=CCCCCOC(=O)c1oc2c(c1C)C(=O)CCC2 811013695 GOZZUMDTHVNTPG-UHFFFAOYSA-N 276.332 3.620 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNC[C@H]1CCSC1 811660046 FGLZRAPUYMDWDV-QWHCGFSZSA-N 274.433 3.549 30 20 CHED CC(C[C@H](C)CC(C)C)=NNC[C@H]1CCSC1 811661238 HEZGSAQYQSEJPB-TZMCWYRMSA-N 256.459 3.777 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NOCC2CC2)C1 814243587 DWMPBRDNSNLDCH-CQSZACIVSA-N 258.365 3.830 30 20 CHED FC(F)(F)c1cccc(NN=Cc2nccs2)c1 814690172 WXRCZKIMZYBOKK-UHFFFAOYSA-N 271.267 3.608 30 20 CHED CCCC(=NN[C@@H](C)c1ccccc1)c1cccnc1 814814892 DKJAOYYYNMZILM-AWEZNQCLSA-N 267.376 3.937 30 20 CHED CC(CC1(C(=O)O)CCC1)=NN[C@@H]1CCCCC1(C)C 814917743 QBZSGPQGAKYJEX-CYBMUJFWSA-N 280.412 3.566 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NN[C@H]1CCCC1(C)C 814917860 UGXDLWYKWRNRRU-OCCSQVGLSA-N 261.413 3.861 30 20 CHED CCOc1ccc(NN=C(C)c2cnccc2C)cc1 814984190 LQJPKXZQYXRDQM-UHFFFAOYSA-N 269.348 3.625 30 20 CHED CCc1ccc(C#CC(=O)N(C)Cc2ccc(C)s2)cc1 815345448 MMMSRYPOCZMFCV-UHFFFAOYSA-N 297.423 3.629 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC(C)(C)C[C@H]1C 815753882 VQUYSMLUNPOXFK-MNOVXSKESA-N 259.340 3.529 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N1CCc2cc(C#N)ccc21 822801517 ZNOQGCZTNCRCKV-CQSZACIVSA-N 290.366 3.560 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(Cl)nc(Cl)c1 823700965 WUPNDYKOSPOONG-UHFFFAOYSA-N 273.163 3.929 30 20 CHED Cc1ccc(OC[C@@H](C)NC2CCC(C)(C#N)CC2)cc1 823729173 CHMMRBXDEIPVTI-KLHKWILBSA-N 286.419 3.824 30 20 CHED C=CC[C@H](NC(=O)[C@H]1CCC[C@@H]1CC)c1ccncc1 825857904 COTXAMPJSKUTGH-BPUTZDHNSA-N 272.392 3.641 30 20 CHED CC(C)C#CC(=O)Nc1ccc(COC(C)(C)C)cc1 829825893 KUSIGRQOMMFAOS-UHFFFAOYSA-N 273.376 3.600 30 20 CHED C=CC[C@H]1N(C(=O)Nc2cccnc2F)CCCC1(C)C 832053746 BOSTZYHIDSEVRT-CYBMUJFWSA-N 291.370 3.819 30 20 CHED C=CCC1(C(=O)N2CCC(CSC)CC2)CCCC1 834346323 QDOWSWAQVPETEH-UHFFFAOYSA-N 281.465 3.725 30 20 CHED C#Cc1cccc(CN[C@H](CCC)c2cccnc2)c1 834901576 AARBGSQYQOJIET-GOSISDBHSA-N 264.372 3.694 30 20 CHED CC(=NNc1c(F)cccc1Cl)[C@H]1C[C@H]2CC[C@H]1O2 834970152 STVSQXCMKQWKDH-GIPNMCIBSA-N 282.746 3.834 30 20 CHED C[C@]1(C=NNc2cc(C(F)(F)F)ccn2)CCCS1 834985356 KWEKIVMASMSBOA-LLVKDONJSA-N 289.326 3.784 30 20 CHED CC(C)CCC(=NN[C@@H](C)C(F)(F)F)C1CC1 834997886 MFWSNEFTDHXVMC-VIFPVBQESA-N 250.308 3.729 30 20 CHED CC(C)ON=Cc1csc(-c2ccsc2)n1 835004732 XLQALFBHAWHWCT-UHFFFAOYSA-N 252.364 3.631 30 20 CHED Brc1cccc(NN=C2CCC23CCC3)n1 835023914 SSNHRIDPTOXYEE-UHFFFAOYSA-N 280.169 3.576 30 20 CHED CCOc1ccccc1C=NOCc1cccc(F)c1F 836295561 JFNLJDHUUKCTDT-UHFFFAOYSA-N 291.297 3.914 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)c1nccn1CC 836947811 WILBHQLFOFUPNT-AWEZNQCLSA-N 279.428 3.831 30 20 CHED CC(C)(C)C#CC(=O)NCc1ccc(-c2ccccc2)o1 837353103 QSFWKPMUXDZGSL-UHFFFAOYSA-N 281.355 3.612 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839047009 BUXWHAIHZDZFPU-XNRPHZJLSA-N 289.350 3.630 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H](c2ccccc2)C2CC2)C1 839052932 HSOFBYOKMPTKKS-XYPHTWIQSA-N 283.371 3.806 30 20 CHED C=CCC(F)(F)C(=O)N(C(C)C)C1CCCCC1 839270256 OPBOUCGSFKCNKX-UHFFFAOYSA-N 259.340 3.768 30 20 CHED C#Cc1ccc(C(=O)N(C(C)C)[C@@H](C)c2ccccc2)nc1 839363963 BNKWPWWXIQKWRV-HNNXBMFYSA-N 292.382 3.675 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(Cl)nc2Cl)C1 839444924 LFOSJLAJMDVXGV-BDAKNGLRSA-N 299.157 3.628 30 20 CHED CC(C)C[C@@H]1C[C@H]1Nc1snc(Cl)c1C#N 840337252 XSTSGBIFSORNOO-VXNVDRBHSA-N 255.774 3.515 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2cccc(C3CC3)c2)C1 841255719 LOUSYBIWGMYMKL-YOEHRIQHSA-N 283.371 3.732 30 20 CHED CCC(=CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)CC 841368138 DVCWVQQVOBGNNU-KRWDZBQOSA-N 282.387 3.798 30 20 CHED Cc1nc(C(C)C)ccc1CSCCO[C@H](C)C#N 842183464 MWJJOVVCJJEQOJ-GFCCVEGCSA-N 278.421 3.675 30 20 CHED CCc1nc(S[C@@H]2CC[C@@H](C#N)C2)sc1C 845326231 JEBSSJQPVZLTJW-NXEZZACHSA-N 252.408 3.798 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C)[C@H](C#N)CC 847170234 ZEDVNFCSIHLQCJ-KBPBESRZSA-N 252.402 3.744 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@@H](C)n1ccnc1 847745598 YICBKLVXEXEBIO-LVQVYYBASA-N 290.407 3.758 30 20 CHED CCCCCCCCS(=O)(=O)Cc1conc1CC 848691295 YRICRNTUNMXNFT-UHFFFAOYSA-N 287.425 3.512 30 20 CHED COc1cc(C)ccc1OC(=O)CC1(C#N)CCCCC1 850746875 OZRSAMBTIYDFCK-UHFFFAOYSA-N 287.359 3.773 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCCc1cccs1 851214011 NBWRHYCQHWNGLJ-GFCCVEGCSA-N 279.405 3.942 30 20 CHED C=C[C@@H](OC(=O)[C@H](C)CCCOC)c1ccccc1 851451195 FFKOHBUOOFRPKA-UKRRQHHQSA-N 262.349 3.520 30 20 CHED Cc1cc(-c2noc([C@@H](C)ON=CC3CC3)n2)ccc1F 853735379 SHQSFNYYEBZTPQ-SNVBAGLBSA-N 289.310 3.658 30 20 CHED CCCCC[C@@H](CC)C(=O)N1CCC[C@@H](CC#N)C1 855254217 GNVQRWACEJHMED-LSDHHAIUSA-N 264.413 3.745 30 20 CHED C/C(=C\C(=O)N[C@H](C#N)C1CCCCC1)c1cccs1 857602507 PVODOAOKXCIHTL-IEZBTEQYSA-N 288.416 3.740 30 20 CHED C=C(Cl)CNCc1cc(OC)cc(C(F)(F)F)c1 858142394 YTRQZNQPAJNRMZ-UHFFFAOYSA-N 279.689 3.556 30 20 CHED C#CCCOC(=O)N[C@H](CC(C)C)c1ccccc1OC 859046629 IJYLQMPYDLMUKW-OAHLLOKOSA-N 289.375 3.532 30 20 CHED CC#CCCCC(=O)OCc1nc2cc(C)ccc2s1 859638694 PSHZFJLFYZKDRL-UHFFFAOYSA-N 287.384 3.842 30 20 CHED C=C(C)C[C@@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)O 864530467 YOUMYIOPTSWNMO-OAHLLOKOSA-N 287.359 3.559 30 20 CHED C=C(Cl)CN[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 877149352 MBHSSQMAZUDOKF-RDJZCZTQSA-N 290.838 3.697 30 20 CHED CCN(C[C@H](C)CCC#N)c1ccc2[nH]ccc2c1 877471679 XCHBHGMENYDNBH-CYBMUJFWSA-N 255.365 3.934 30 20 CHED C#C[C@H](N[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 877541546 PXZXLOSQFQDHFR-GJZGRUSLSA-N 277.795 3.562 30 20 CHED C=CC(C)(C)CC(=O)Nc1cncc(Cl)c1C 880155944 ZWVWFUJADCQKTF-UHFFFAOYSA-N 252.745 3.584 30 20 CHED C=C1CCC(C(=O)Nc2cnn(-c3ccccc3)c2C)CC1 889645797 XJQIBJGNXBQTBO-UHFFFAOYSA-N 295.386 3.866 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(CC#N)c1ccccn1 892465162 RSMMGLDMJVASGY-INIZCTEOSA-N 299.418 3.935 30 20 CHED C[C@@H](CC#N)OC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 892690240 HOHWIBAHPJJMKO-JTQLQIEISA-N 299.292 3.828 30 20 CHED N#CC1(CCCC[S@@](=O)Cc2ccccc2)CCC1 899274680 AXDPKMKIVXKTLQ-LJQANCHMSA-N 275.417 3.799 30 20 CHED CSc1ccc2c(c1)CC/C(=C\c1nc(C)c(C)[nH]1)C2=O 901465977 GLXJRQQMSOCEOR-UKTHLTGXSA-N 298.411 3.961 30 20 CHED CC[C@H](N[C@@H](C)c1ccccn1)c1cccc(C#N)c1 902720980 RVEFXPBTLLRJJD-BBRMVZONSA-N 265.360 3.755 30 20 CHED COc1ccc([C@H](C)NCC2(C#N)CC2)c2ccccc12 903101657 KMMODNKOPJQQIR-ZDUSSCGKSA-N 280.371 3.803 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2nsc3ccccc23)C1 905929260 NPQFIZNZHCKKSD-WDEREUQCSA-N 286.356 3.535 30 20 CHED C[C@@H]1CCC[C@H](/N=C\c2cc3ccccc3nc2O)C1 914702742 KRFLTBJTLWARPC-CRDJFZAASA-N 268.360 3.938 30 20 CHED C=CCN(C(=O)[C@@H]1CCCc2ccccc21)C(C)C 915155438 QBGSKFKAMFVIPM-MRXNPFEDSA-N 257.377 3.530 30 20 CHED Cc1ccsc1C=NNc1ccc(C(F)(F)F)cn1 915917787 OALUTXSPJUVBQQ-UHFFFAOYSA-N 285.294 3.916 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCCC[C@H]1C 915920998 KAJNKINIBUWHJN-GFCCVEGCSA-N 275.421 3.848 30 20 CHED Cc1cccc(NN=Cc2c(C(C)C)nn(C)c2Cl)c1 915935244 BBTUHQITSUBVFM-UHFFFAOYSA-N 290.798 3.951 30 20 CHED CCON=Cc1cc(C)c(OCc2ccccn2)c(C)c1 915958064 KQIUGLMJHCKZMZ-UHFFFAOYSA-N 284.359 3.648 30 20 CHED C=CCN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C(C)C 917167035 PNSJBXCJDXXKDE-UHFFFAOYSA-N 297.398 3.678 30 20 CHED COc1ccc(CNN=C(C)c2cc(C)ccc2C)cc1 917547442 QNUPRKZGPCSXQV-UHFFFAOYSA-N 282.387 3.826 30 20 CHED C=C(C)CNC(=S)N(C)[C@H](C)c1cccc(Cl)c1 917585385 ZRQNXBVBAHGCCJ-LLVKDONJSA-N 282.840 3.783 30 20 CHED CCc1cc(C#N)c(NC(=O)C=C2CCCC2)s1 917880105 VLRXORIAMSYUJN-UHFFFAOYSA-N 260.362 3.621 30 20 CHED CCC[C@H](NC=C1C(=O)CC(C)(C)CC1=O)c1ccccc1 920979304 GKJFEVRDANCOPN-INIZCTEOSA-N 299.414 3.960 30 20 CHED C=C(C)COCCN[C@@H](CCC)c1ncccc1Cl 925533023 XAGCXUQNMNGVHN-AWEZNQCLSA-N 282.815 3.759 30 20 CHED COCc1nc2cc(N[C@@H](C)CC(C)(C)C#N)ccc2o1 925893311 AECHDMDXECHOJL-NSHDSACASA-N 287.363 3.714 30 20 CHED C#Cc1ccc(NC(=O)N(C)C2CCC(F)(F)CC2)cc1 934925788 OYHRIUHYGRXFPC-UHFFFAOYSA-N 292.329 3.710 30 20 CHED CCCCCC(C)(C)C(=O)OCc1ccc(C#N)cn1 1116777745 CAZVGFQBFSNFIW-UHFFFAOYSA-N 274.364 3.603 30 20 CHED C=CCC[C@H]1CCCN1C(=O)/C=C\c1ccccc1C#N 1120813625 IUJQCYLYLODBMV-CPFIRTDXSA-N 280.371 3.529 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)[C@@]1(C)CC=CCC1 1122967030 BNFQLQRSDGOSDG-YJBOKZPZSA-N 283.371 3.501 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2cccc(Cl)c2)n1 1129269398 OITGMDCJMZDPQK-NSHDSACASA-N 299.761 3.657 30 20 CHED COc1c(C)cc(C(=O)Nc2cc(C#N)ccc2F)cc1C 1129715971 XCBDQZBNWOEODT-UHFFFAOYSA-N 298.317 3.575 30 20 CHED Cc1nc(N[C@@H]2C[C@H]2C2CCCCC2)ccc1C#N 1162644178 GMCYACHQIHXKES-LSDHHAIUSA-N 255.365 3.642 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1Nc1nc(C#N)c(Cl)s1 1163669113 XLDCJLOOXPXRQY-JGVFFNPUSA-N 269.801 3.905 30 20 CHED CO[C@@H](CC(C)C)CN(Cc1ccc(C#N)cc1)C(C)C 1167248062 IPEUANYGORDIOM-SFHVURJKSA-N 288.435 3.830 30 20 CHED Cc1cccc(NC(=O)Nc2cc(C#N)ccc2F)c1C 1202704648 YGFPAWASABVBAS-UHFFFAOYSA-N 283.306 3.958 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(O)cc1OC 1252256994 ZLHUBZKKNCLOCK-ZDUSSCGKSA-N 278.396 3.683 30 20 CHED CC[C@H](C)C[C@@H](CC)NCCc1ccc(C#N)cc1 1258779232 BBQYDRBBEKMZID-WMLDXEAASA-N 258.409 3.905 30 20 CHED C[C@H](CNc1ncc(C#N)cc1F)c1ccc(F)cc1F 1306978728 LVGXDSVEZUFBCZ-SECBINFHSA-N 291.276 3.586 30 20 CHED N#Cc1ccc(/C=C/c2ccc(N3CCCC3)cc2)nc1 1317937648 BIKAJHCJBUFZML-XVNBXDOJSA-N 275.355 3.724 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(-c2ccccc2)s1 1320134840 IGIUYGZKDVRDTB-UHFFFAOYSA-N 295.407 3.901 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2ccccc2OC)cc1 1320297894 AHKNCLPGAKHOBR-KRWDZBQOSA-N 297.398 3.653 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCCOc1ccccc1 1320629707 ITWRARNHWVJTFI-QGZVFWFLSA-N 275.392 3.564 30 20 CHED CC(C)c1ccc(C2(C(=O)N[C@H](C)CC#N)CCC2)cc1 1322751792 IESQVXUWYBUJKR-CQSZACIVSA-N 284.403 3.650 30 20 CHED CN(C)c1ncccc1/C=C/C(=O)c1ccc(Cl)cc1 1323544393 GXEAPZGPTASYSP-JXMROGBWSA-N 286.762 3.697 30 20 CHED CC(=NNc1ccn(C)n1)[C@H](C)c1ccc(Cl)cc1 1325013016 WTQDIIIWSHAZPQ-JTQLQIEISA-N 276.771 3.665 30 20 CHED CC(C)(C)ON=C1CC(C(=O)O)(c2cccc(Cl)c2)C1 1326239415 HLPAHFTWUQPJMP-UHFFFAOYSA-N 295.766 3.627 30 20 CHED C#CC[C@H](CCOC)NCc1cc2cc(C)c(C)cc2o1 1329528976 BQCROGWVESAAIM-MRXNPFEDSA-N 285.387 3.568 30 20 CHED C[C@H](CC(=O)Nc1ccc(Cl)cc1C#N)C1CC1 1332578455 IBQLJDSQYSZIQV-SECBINFHSA-N 262.740 3.586 30 20 CHED COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)ccc1F 1335666512 MZWGZCWDYJSAAL-ALCCZGGFSA-N 288.322 3.508 30 20 CHED C=C(C)CCC(=O)O[C@H](C)c1ncccc1Br 1337597528 HOZQNFIICRTCLO-SNVBAGLBSA-N 298.180 3.805 30 20 CHED COc1cc(/C=C\C(=O)c2sccc2OC)ccc1F 1338163143 DWYLWVQDVIMTCX-XQRVVYSFSA-N 292.331 3.801 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NCCCCCSC 1340072985 DGOUEZHWVCTILZ-AWEZNQCLSA-N 284.469 3.660 30 20 CHED C=CCCCCCCNC(=O)CC#Cc1ccccc1 1343000841 YIVKOCPZYTXRDK-UHFFFAOYSA-N 269.388 3.681 30 20 CHED CC[C@H](C)c1nnc(/C=C\c2ccccc2C#N)o1 1345855419 OLHCEAQGUVEEHH-IQQGHNRFSA-N 253.305 3.625 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1ccc(C)s1 1347522150 OCAPSQNMFLXYPT-CQSZACIVSA-N 277.433 3.946 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1349597305 WCYPGXFRYJUWAD-HUUCEWRRSA-N 296.418 3.682 30 20 CHED C=C(C)CCC(=O)Oc1ccc(NC(=O)OCC)cc1 1357896206 BBHMSLFQXHMCKY-UHFFFAOYSA-N 277.320 3.517 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCCCCC1 1359141707 PUWNSHWPLOXOPA-GFCCVEGCSA-N 296.846 3.925 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(C3CC3)c2)cc1C#N 1361044256 UVMBBFXECDFRSU-UHFFFAOYSA-N 287.322 3.560 30 20 CHED Cc1cc(C#N)cc(NC(=O)COc2cc(C)cc(C)c2)c1 1436705265 ISDXSSVYDUMABD-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C[C@@H]1CCC[C@H](Nc2nc(C#N)c(Cl)s2)[C@@H]1C 1458064946 OSXPXCKKVHQANA-HLTSFMKQSA-N 269.801 3.905 30 20 CHED Cc1ccc(CCNc2snc(Cl)c2C#N)cc1C 1458480773 SWMUQJRPPQAHNK-UHFFFAOYSA-N 291.807 3.940 30 20 CHED CC(C)CN(CCOc1cccc(C#N)c1)CC(C)(C)C 1473279041 QWNIEZRVIHYBBC-UHFFFAOYSA-N 288.435 3.941 30 20 CHED N#C[C@H](C(=O)[C@H](c1ccccc1)C1CC1)c1cccc(F)n1 1524711907 MCLBCDFYWCNUHO-WMLDXEAASA-N 294.329 3.591 30 20 CHED CCCOc1cccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 1535478699 GUXAXJOOBRYJSP-CJNGLKHVSA-N 287.359 3.715 30 20 CHED COc1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1C 1539790926 JQNBHQHDVQKZDE-CYBMUJFWSA-N 295.338 3.793 30 20 CHED N#Cc1cc(Sc2nc3cccc(F)c3s2)ccn1 1559265031 BPRVOGQNZQGIEN-UHFFFAOYSA-N 287.344 3.853 30 20 CHED C=C(Br)CNCc1ccc(F)c2ccccc12 1560320938 UHXUUMYGPFWUBL-UHFFFAOYSA-N 294.167 3.977 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(C(=O)O)c1Cl 1588529803 HAOFUBIAAYLURW-UHFFFAOYSA-N 281.739 3.579 30 20 CHED Cc1cc(C)cc(CCC(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 1596978889 QQYVFPOHUQBQKR-IAGOWNOFSA-N 285.387 3.862 30 20 CHED C=CC[C@@H](N[C@H](C)c1cccc2ccccc12)C(=O)O 1602841743 FDGUJJYBISZLHI-MLGOLLRUSA-N 269.344 3.520 30 20 CHED Cc1cccc(C2(C(=O)N(C)[C@H](C)CC#N)CCCCC2)c1 1617526045 KGWKMYRDLRRSML-MRXNPFEDSA-N 298.430 3.958 30 20 CHED CCC[C@@H](NC(=O)Nc1ccc(C#N)cc1)C1CCC1 1622712222 WRQBPVDQBHEOMD-OAHLLOKOSA-N 271.364 3.649 30 20 CHED N#C[C@H](c1ccccc1)N1CCc2ccc(F)c(F)c2C1 1642281372 KHCWPAQAEIWDFR-MRXNPFEDSA-N 284.309 3.588 30 20 CHED COc1cc(OCC2CCCCCC2)ccc1C#N 1643890819 SCESUORPLGENSX-UHFFFAOYSA-N 259.349 3.916 30 20 CHED C=C(Br)CN(c1ccccc1)C(C)C 1652721037 FUCZAWJRSPUTFI-UHFFFAOYSA-N 254.171 3.810 30 20 CHED CCCN(Cc1ccc(Cl)cc1C#N)C(C)C 1654047810 IYMBCXQNRWDFND-UHFFFAOYSA-N 250.773 3.832 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@](C)(c2ccccc2)C1 1657392603 OHGCUMULEKFPQE-FUHWJXTLSA-N 270.420 3.980 30 20 CHED C[C@H]1CC[C@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 1659756195 MFIUCCIKUFZTFQ-HNAYVOBHSA-N 291.398 3.926 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2F)[C@H](C)C1 1670761132 PCCHLWVHPPANDJ-GYSYKLTISA-N 289.354 3.644 30 20 CHED O=C(O)c1ccc(NN=C2CC3(CCCC3)C2)cc1 1776012069 ATKZOVWYHVBLHW-UHFFFAOYSA-N 258.321 3.507 30 20 CHED CCCCCCCCOCCCNc1nc(C(=O)O)co1 1776785525 KFEDNFOMUYFHHI-UHFFFAOYSA-N 298.383 3.552 30 20 CHED N#Cc1ccccc1NCc1cccc2cccnc12 20090031 CUTWWURQOIDSFV-UHFFFAOYSA-N 259.312 3.719 30 20 CHED COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1C 35256419 KZOMFDCXFYIAOL-AWEZNQCLSA-N 280.371 3.726 30 20 CHED N#Cc1ccc(CNc2ncc(Cl)cc2Cl)cc1 37489193 SNCMNOXTTKCHSG-UHFFFAOYSA-N 278.142 3.872 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc(Cl)ccc1Cl 42296140 OTYOFEMQQMABOF-VIFPVBQESA-N 285.174 3.615 30 20 CHED C[C@H](C#N)CNCc1ccc(F)c(-c2cccs2)c1 54181663 BIHABRXTJQOCIL-LLVKDONJSA-N 274.364 3.803 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2cc(F)ccc21 57141676 PGTFGHAGHTZUTJ-MRXNPFEDSA-N 297.289 3.705 30 20 CHED N#Cc1cc(N[C@@H]2CCCc3sccc32)ccn1 61812328 NTAVWPZZVAXQQG-CYBMUJFWSA-N 255.346 3.504 30 20 CHED N#Cc1ccc(NC[C@H]2Cc3ccccc3O2)cc1Cl 61846102 GTJCPNMJNCBEAY-CQSZACIVSA-N 284.746 3.627 30 20 CHED CCOc1ccc(C#N)cc1NCc1cccc(C)c1 63472334 GZNWHLFOOQFANT-UHFFFAOYSA-N 266.344 3.878 30 20 CHED CC[C@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 68457153 KMBOQVQVQWPCMN-UFBFGSQYSA-N 285.174 3.720 30 20 CHED CCN(Cc1ccccc1Cl)c1ccc(C#N)cn1 75677351 OYLRISSLTBFSAO-UHFFFAOYSA-N 271.751 3.633 30 20 CHED N#CC1(C(=O)N2CCCc3cc(Cl)ccc32)CCCC1 76018298 TWLXGEVHMRIBRR-UHFFFAOYSA-N 288.778 3.703 30 20 CHED CC(C)[C@H](C)S[C@H](C)C(=O)Nc1ccccc1C#N 79080773 QXPLCNZDXBGMAA-NWDGAFQWSA-N 276.405 3.663 30 20 CHED CC(C)(C#N)CCOc1ccc(Br)cc1F 87596016 MZROOKLRSFCSNR-UHFFFAOYSA-N 286.144 3.907 30 20 CHED COc1cc(C(C)=O)ccc1OCCCC(C)(C)C#N 87598917 SUEBNVVPFCPAOY-UHFFFAOYSA-N 275.348 3.607 30 20 CHED CCN(C(=O)CCC1CC1)c1ccc(C#N)c(Cl)c1 91206256 DTBZUAJOYSPTFQ-UHFFFAOYSA-N 276.767 3.755 30 20 CHED Cc1ccc(CNC(=O)Nc2ccc(F)cc2C#N)c(C)c1 97473024 RKRZYQWEBKHFQI-UHFFFAOYSA-N 297.333 3.636 30 20 CHED N#CCCN(CCC#N)Cc1c(Cl)ccc2cccnc12 104066900 GFECKYHVUZFRRJ-UHFFFAOYSA-N 298.777 3.518 30 20 CHED C=C(Cl)COC(=O)c1cc2c(s1)CCCC2 104774036 HJFUJTJUHFMHLS-UHFFFAOYSA-N 256.754 3.536 30 20 CHED C#CC[C@@H](OC(=O)/C=C(/C)c1ccccc1)c1ccccn1 113661883 XCASKTHOQUJCIR-KGUUONHRSA-N 291.350 3.793 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](C)c1cccc(F)c1 115986069 WBUZOQQJSJINAF-CYBMUJFWSA-N 261.340 3.520 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@](C)(c2ccccc2)C1 116974235 NKWNWSOUBRAMEE-CRAIPNDOSA-N 286.419 3.714 30 20 CHED C=CC1CCN([C@H](C)c2nc(Cc3ccccc3)no2)CC1 119682538 AXYCULPWARYLPP-CQSZACIVSA-N 297.402 3.619 30 20 CHED C=CCC[C@H](NC[C@@H](C[C@H](C)O)c1ccccc1)C1CC1 121667460 KLCSOJCJCDUCBI-IPELMVKDSA-N 287.447 3.876 30 20 CHED C=CCOc1ccc(-c2nnc(SCCCF)o2)cc1 126255968 VZXACHBXIBUMOB-UHFFFAOYSA-N 294.351 3.753 30 20 CHED C[C@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H]1C 129761540 DZHBFPVBXJUNOO-ZOBUZTSGSA-N 299.418 3.719 30 20 CHED C=C(Cl)CNC(=O)c1ccc(CCCC)cc1 134804043 OHNLYKNXTSEMQK-UHFFFAOYSA-N 251.757 3.512 30 20 CHED C=CCCC(=O)CSc1ncc(C(C)(C)C)o1 134818695 YNROEYRESCKZKN-UHFFFAOYSA-N 253.367 3.600 30 20 CHED N#Cc1cccc(CNCc2cccc(Cl)c2F)c1 135237368 SWXMCNYJVRZNBJ-UHFFFAOYSA-N 274.726 3.641 30 20 CHED C=CCOc1cccc(NC(=O)c2scnc2CC)c1 137968135 HJJSWCYMTOPLDQ-UHFFFAOYSA-N 288.372 3.523 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1 143199484 UIHZKINZYLSXPI-KBXRYBNXSA-N 278.307 3.837 30 20 CHED CCC1(C(=O)[C@@H](C#N)c2nc(C)cs2)CCCC1 151039812 XLFLPKKXDMZCIY-LLVKDONJSA-N 262.378 3.598 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)Oc1ccc(C#N)cc1 155702969 WYISVPUSNAMBJL-ZDUSSCGKSA-N 287.359 3.592 30 20 CHED C#CCCCCNC(=O)C[C@H](c1ccccc1)C(C)C 156545381 HHJKSGPRYQTYTC-KRWDZBQOSA-N 271.404 3.736 30 20 CHED COC(=O)Nc1ccc(NCC(C)(C)CCC#N)cc1 156673046 BOIWTBAOYDHXMI-UHFFFAOYSA-N 275.352 3.607 30 20 CHED COc1ccccc1[C@@H]1CCN(Cc2cccc(C#N)c2)C1 157993418 QLQQBJBLKRAWHC-QGZVFWFLSA-N 292.382 3.556 30 20 CHED CC(C)CSCCCN[C@H](C)c1ccc(C#N)cc1 160013259 JAVCEXMFVZCVEN-CQSZACIVSA-N 276.449 3.988 30 20 CHED N#Cc1ccc(S[C@H]2CCCc3ccccc32)nn1 160469622 HNPCXCDEDJZMHX-AWEZNQCLSA-N 267.357 3.518 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H](C)c1ccncc1 160752151 JKQDNRNHACBWAD-HNNXBMFYSA-N 274.408 3.780 30 20 CHED CCC[C@H](C(=O)N[C@H](C#N)c1ccccc1F)C(C)C 163080855 XLPVPCHTNSDIDQ-SWLSCSKDSA-N 276.355 3.579 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCc1cccs1 171567800 KVYVXFPFDYEVRS-UHFFFAOYSA-N 292.448 3.859 30 20 CHED N#CCCCOC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 171770639 NFPPDHAAUQFFIP-IAGOWNOFSA-N 279.339 3.790 30 20 CHED C=CCOCCCC(=O)Nc1cc(C(C)(C)C)ccc1O 175074327 VQFZMBPNYSIBSU-UHFFFAOYSA-N 291.391 3.611 30 20 CHED C=CCCCC(=O)N1CCC(c2ccccc2)CC1 175211368 KLMANQZVKVAANU-UHFFFAOYSA-N 257.377 3.749 30 20 CHED CCN(C(=O)CCc1ccoc1)[C@@H](C)c1ccc(C#N)cc1 177114823 DSJLAMDYMCAQSF-AWEZNQCLSA-N 296.370 3.694 30 20 CHED C/C=C(\C=C\C(=O)N(Cc1ccc(C#N)cc1)C1CC1)CC 177742475 OBSKUFPBFDZWSE-CYQCXHHASA-N 294.398 3.962 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1csc(CC(C)C)n1 178376800 QWEWKKFQBZBWTK-UHFFFAOYSA-N 299.399 3.774 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCCC(C)(C)C1 178544456 KNECYOOBALTYGS-UHFFFAOYSA-N 271.364 3.521 30 20 CHED CC(C)Oc1ccc(NC(=O)N[C@@H]2CC=CCC2)cc1C#N 178993449 MJQZJHHADGSODQ-CQSZACIVSA-N 299.374 3.576 30 20 CHED CS[C@H](C)CC(=O)Nc1sc2c(c1C#N)CCCC2 179065285 ZMRNZFZEQORQDG-SECBINFHSA-N 294.445 3.579 30 20 CHED COc1ccc(Cl)cc1[C@H](CC(C)C)NCC#N 179663243 JWOXCHOHTHHRSS-ZDUSSCGKSA-N 266.772 3.549 30 20 CHED C=CCC[C@@H](NCc1nc(CCC)no1)c1ccccc1 180034666 JGDRPZQALAQQSC-OAHLLOKOSA-N 285.391 3.819 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1cccc(F)c1F 181947585 BHPYOKCNFKZCNL-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(OC)ccc1OC 182766426 NFCRWIWGDYESBR-LBPRGKRZSA-N 292.379 3.570 30 20 CHED C#CCCCCN[C@H](c1ccccc1)c1ccc(F)cn1 183793541 SEEDEHCFNRVNDQ-GOSISDBHSA-N 282.362 3.703 30 20 CHED C#CCC(C)(C)C(=O)N(C)CCCCc1ccccc1 185204571 YJYSIIQTRWMNPF-UHFFFAOYSA-N 271.404 3.517 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cc(F)ccc2OC(F)F)C1 185750356 HXULBDQXQNWNMG-MWLCHTKSSA-N 284.281 3.921 30 20 CHED CC(C)(C)OC(=O)CCCCCN[C@@H]1CCC[C@@H](C#N)C1 185895032 JTNOIEXSHGJTAQ-HUUCEWRRSA-N 294.439 3.560 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 185991324 RIWBDLDRWDNPQY-WDSOQIARSA-N 298.430 3.700 30 20 CHED C=C(C)[C@@H](N[C@@H](C)CCOC)c1ccc(F)c(F)c1 186449115 RQSKKSKEYNTNET-XHDPSFHLSA-N 269.335 3.597 30 20 CHED C=CCC[C@H](CC)NCc1ccc(C(C)(C)O)cc1 186623399 PDHDQCNRHLMWQQ-INIZCTEOSA-N 261.409 3.748 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(F)c(Cl)c1 187794560 JTMYWIYZVJQZFC-CQSZACIVSA-N 285.746 3.646 30 20 CHED C=C(C)CN(C)C(=O)C1(Cc2ccccc2Cl)CC1 188115295 BEFRBUFCNZLBBT-UHFFFAOYSA-N 277.795 3.697 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@H](OCC)C1CCCC1 188481241 JTOIDVRGGWUYME-RDJZCZTQSA-N 281.440 3.690 30 20 CHED C=CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 189353322 AFDCQFZOSNSRRQ-HNNXBMFYSA-N 295.338 3.714 30 20 CHED CC[C@H](C)c1cc(C(=O)N(CCC#N)C(C)(C)CC)on1 189940642 PRYWYOKMPYCIPP-LBPRGKRZSA-N 291.395 3.733 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(F)c(F)c1 190068662 PPEHGEXVOCNNIQ-HNNXBMFYSA-N 267.319 3.526 30 20 CHED C=C(C)CSCCCc1nc(-c2ccccc2)no1 190963256 HSRYFQDKBAJHTJ-UHFFFAOYSA-N 274.389 3.979 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)c(F)c1 192136321 SCKYLJFXGDTSJZ-KRWDZBQOSA-N 283.350 3.675 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccncc1 194665841 SFBAIMFJXOTCAB-UHFFFAOYSA-N 262.397 3.904 30 20 CHED O=C(/C=C/c1sccc1Cl)c1cncc(F)c1 195338455 HDYQWADDFKMZFK-OWOJBTEDSA-N 267.712 3.832 30 20 CHED C=CCN(CC=C)[C@H](C(=O)O)c1ccccc1C(F)(F)F 212260858 PGRMQWFHWSHUKO-ZDUSSCGKSA-N 299.292 3.505 30 20 CHED C=C[C@H](C)N[C@H](C)c1cc(Br)cs1 226397166 NVZAZFLRHVQOGA-JGVFFNPUSA-N 260.200 3.736 30 20 CHED CC(C)(CCC#N)CNc1cc(Cl)ccc1C#N 229676546 ASFWFFJYXVPPMT-UHFFFAOYSA-N 261.756 3.954 30 20 CHED C[C@@H]1CCCC[C@H]1CNCc1ccc(N(C)CCC#N)cc1 237383393 DSTYJIKBNOLGMD-AEFFLSMTSA-N 299.462 3.952 30 20 CHED N#Cc1ccc([C@@H](O)CN2CCC[C@H]2C2CCCCC2)cc1 246128866 ZIPGLEIVZWJKHQ-OALUTQOASA-N 298.430 3.636 30 20 CHED CN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)C1(C#N)CCC1 255476109 AJZIQZRNCIGLEV-FLIBITNWSA-N 296.414 3.902 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccc(SC(F)F)cc1 264177075 XQYCGKNHJIPCCJ-SECBINFHSA-N 299.346 3.625 30 20 CHED C=C1CCN(C(=O)c2ccc(O[C@H](C)CC)cc2)CC1 267450659 YNRCHBAFGZPPBF-CQSZACIVSA-N 273.376 3.656 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(C)c(F)c2)no1)OCC 270076548 YWQSOFIOJCQLMH-CQSZACIVSA-N 290.338 3.708 30 20 CHED C=C[C@@H](CC(=O)N[C@H]1CCOC2(CCC2)C1)c1ccccc1 270433898 XHLCWLRVWIIJNI-RDJZCZTQSA-N 299.414 3.564 30 20 CHED C[C@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)CCO1 271225188 QMJZSDUIXCHHAZ-OZQIQIQNSA-N 288.174 3.685 30 20 CHED C=CCN(C(=O)Nc1cc(OC)ccc1Cl)C1CC1 271542668 NQOPSZFDHISPOB-UHFFFAOYSA-N 280.755 3.531 30 20 CHED CC(C)(C#N)CCN[C@H](C[C@H]1CCOC1)c1ccccc1 272032270 PJVSDQOSUFCHFR-NVXWUHKLSA-N 286.419 3.684 30 20 CHED N#CCCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 273032913 NEQGHAVTRZDALH-QWRGUYRKSA-N 297.185 3.517 30 20 CHED N#CCCCN[C@H]1CC=C(c2ccc(F)cc2)CC1 273182246 FINFBELPJRZMJG-INIZCTEOSA-N 258.340 3.655 30 20 CHED CC(C)(C#N)c1nc(-c2ccccc2C(F)(F)F)no1 273726846 NDOIRVYIZRDCTF-UHFFFAOYSA-N 281.237 3.557 30 20 CHED N#C[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccc(Cl)cc1 275063712 RPJJUUVQCFSQKL-SWLSCSKDSA-N 288.778 3.767 30 20 CHED CC(C)[C@@H]1CN(C[C@@H](C#N)CCC#N)c2ccccc21 278041438 CMMVEKVPAJOEKR-ZBFHGGJFSA-N 267.376 3.690 30 20 CHED CC[C@H](c1ccccc1)N(CC)C(=O)CC(C)(C)C#N 278555673 OYCFLVRTFURABA-OAHLLOKOSA-N 272.392 3.926 30 20 CHED CC[C@@H](NCc1cn2ccsc2n1)c1ccc(C#N)cc1 278758059 OHKNGUWUHVPEBK-OAHLLOKOSA-N 296.399 3.508 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1cc(C#N)oc1C 280520858 FTJKYDSOVHKQMA-UHFFFAOYSA-N 282.343 3.512 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C#N)oc1C 280729629 VQKKTDUERQLBQB-CYBMUJFWSA-N 296.370 3.901 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)c1sc(C)nc1C 281504735 WZPVYAYSLZGSLR-DGCLKSJQSA-N 295.452 3.817 30 20 CHED Cc1cc(C(=O)/C=C/c2cnn(C(C)C)c2)oc1C 282090362 IMTPLEWZHLTFFR-AATRIKPKSA-N 258.321 3.570 30 20 CHED C#CCCCCN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 282968561 CZRBQHVJUNUNIJ-QZTJIDSGSA-N 299.414 3.561 30 20 CHED Cc1csc(NC(=O)C[C@H](C)C(C)C)c1C#N 288855470 PNGDRIPAPBYWPE-VIFPVBQESA-N 250.367 3.549 30 20 CHED N#CCCCC(=O)N(Cc1ccccc1Cl)CC1CC1 291471768 MWHUFNCUMHOFBH-UHFFFAOYSA-N 290.794 3.772 30 20 CHED CN(CCCC(C)(C)C#N)Cc1c(F)cccc1F 293373491 JHDYZRYLYWSFDE-UHFFFAOYSA-N 266.335 3.727 30 20 CHED C=CCC(C)(C)C(=O)Nc1cncc(Cl)c1C 295278871 FMKYUEHBLNRJRM-UHFFFAOYSA-N 252.745 3.584 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H](C)C#N 297659456 BQDCQJZQEWYTOF-UWVGGRQHSA-N 299.201 3.542 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cc(F)ccc1Cl 297774318 KXTZDBUHPSKITM-AWEZNQCLSA-N 282.746 3.537 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2cccnc12 297855733 OABCSJULHXPFOK-UHFFFAOYSA-N 254.333 3.776 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1cccnc1 297955852 TZGADZPKFJFPLS-HNNXBMFYSA-N 279.387 3.926 30 20 CHED N#Cc1ccc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 301104367 RMTIWMGRGZSYLA-QGZVFWFLSA-N 298.773 3.790 30 20 CHED N#Cc1cc(F)ccc1N1CCc2c([nH]c3ccccc23)C1 301854166 YERWMWNSUBFJLN-UHFFFAOYSA-N 291.329 3.741 30 20 CHED C=CCN(CC=C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 302000119 NRAOSAMVFMSWLP-GFCCVEGCSA-N 275.417 3.687 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1cc(C#N)ccc1[N+](=O)[O-] 302215581 OSAXNCKQNUFPPD-NSHDSACASA-N 299.305 3.649 30 20 CHED N#Cc1cc(F)c(NCc2ccoc2)cc1Br 310320065 UJSHQNAWNLAZIE-UHFFFAOYSA-N 295.111 3.665 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1cccc(CC#N)c1 313453848 VUAZDSVLPCYCAA-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C=CCC[C@H](CO)NC1CC(c2cccc(Cl)c2)C1 321275624 FKTYZDCNSDVCSD-OGVSOVDVSA-N 279.811 3.503 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/Cc2cccc3cccnc23)CCC1=O 329006680 XWJALTAIZKGLGF-TZMCWYRMSA-N 296.370 3.697 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 332193734 GRSDIALYJXGFEK-HUUCEWRRSA-N 283.375 3.521 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)[C@H]2CCSC2)s1 335248886 SWXWIAFCPQATPX-VIFPVBQESA-N 294.445 3.609 30 20 CHED CC(C)c1cccnc1NC(=O)c1cc(C#N)ccc1Cl 335354832 QWCXGJNTZVZXKW-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc1 335371319 AMGSYTLQZNPNEL-CJNGLKHVSA-N 282.387 3.502 30 20 CHED N#CCCC1CCN(c2ccnc3ccccc23)CC1 335379261 LLFLNZOYUSYDQD-UHFFFAOYSA-N 265.360 3.755 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)[C@]1(C#N)C[C@@H]1C 336209381 KAUDFDCDNSIMLB-ZANVPECISA-N 282.265 3.502 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C#N)cc2)C1 336520884 KQOVVBFLCGBSJU-KDOFPFPSSA-N 277.371 3.536 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)CCCC1(C#N)CCOCC1 337206818 NGRCUBWWSPKGBJ-HZPDHXFCSA-N 278.440 3.597 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2c(F)cccc2F)n1 339012311 XOVFFCXYRZUBKU-UHFFFAOYSA-N 287.313 3.503 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(NC(C)=O)ccc2C)n1 340794742 NDNQLSVOSVHGCX-UHFFFAOYSA-N 299.374 3.857 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@H]1CCCSC1 340909420 ZNCMKWGQRKTIMN-SNVBAGLBSA-N 266.797 3.767 30 20 CHED C=CCN(CCSCC)Cc1ccccc1F 340936519 HEVICDFHLODDQC-UHFFFAOYSA-N 253.386 3.567 30 20 CHED C=CCCN(C)C(=O)c1ccccc1C(=O)c1ccccc1 346072694 NHJDMFHBPURCGQ-UHFFFAOYSA-N 293.366 3.566 30 20 CHED C=C[C@@](C)(CCOC)c1nc(C2CCC(C)CC2)no1 346257881 XWPOHCPRUGMEFL-ZUEPYMLJSA-N 278.396 3.844 30 20 CHED Cc1cccc(-n2ccnc2SCC2(C#N)CC2)c1C 347021597 LRVNUEGGXCWORG-UHFFFAOYSA-N 283.400 3.885 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 347873172 RCOQUEAUQMOZDP-DOTOQJQBSA-N 299.414 3.597 30 20 CHED C=CCN(Cc1ccc(OC(F)F)c(F)c1)C1CC1 350266042 MDALIPRGMADBIC-UHFFFAOYSA-N 271.282 3.578 30 20 CHED C[C@@H]1COC[C@@H](c2ccccc2)N1Cc1ccccc1C#N 354857472 ISQUEVQSZITZAI-BEFAXECRSA-N 292.382 3.520 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@H]1CCCC(C)(C)C1 355259608 WYWLFYQTQZUTTD-ZDUSSCGKSA-N 279.428 3.584 30 20 CHED C=CCCC1(C(=O)NCCc2cc(F)c(F)c(F)c2)CC1 356735676 YFKRJJRUELIKLH-UHFFFAOYSA-N 297.320 3.509 30 20 CHED C=CCC[C@@H](N[C@@H](COC)C(C)C)c1ccccc1 358343319 SKOAWWOYTSUABL-SJORKVTESA-N 261.409 3.955 30 20 CHED C=CCCOCCCCC(=O)N1CC2(CCC2)[C@H]1C1CC1 359258355 IZHBAAHKTWBREL-QGZVFWFLSA-N 291.435 3.541 30 20 CHED CC[C@H](C)N(C)CCN[C@H]1CCCCc2cc(C#N)ccc21 360828757 AHCOMGGGWCWRCV-KXBFYZLASA-N 299.462 3.646 30 20 CHED CC[C@H](C)CSCc1nnc(-c2cccc(C#N)c2)o1 362412026 XLAWHALRNMHBEH-NSHDSACASA-N 287.388 3.888 30 20 CHED CC(C)(C#N)CC(=O)Nc1cnccc1-c1ccccc1 362717836 XLALTOWQZOFSPY-UHFFFAOYSA-N 279.343 3.627 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1cccnc1 369754087 INDKEZVUMOJOOT-HOCLYGCPSA-N 287.407 3.673 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@@H]1c1cccnc1 370089258 LUVZDZYCZSDRQI-OAHLLOKOSA-N 283.762 3.948 30 20 CHED C[C@@H](NCCCCC1CCOCC1)c1ccc(C#N)cc1 385002351 PVWDPOCNWGPLBX-OAHLLOKOSA-N 286.419 3.806 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(C(C)(C)O)cc1 398152263 DXRAICOHQLZLAX-CQSZACIVSA-N 261.409 3.748 30 20 CHED N#Cc1cncc(Sc2ccc(Cl)c(Cl)c2)n1 401256589 LPUYILZSISUAMH-UHFFFAOYSA-N 282.155 3.806 30 20 CHED C=CC[C@H](CC)NC(=O)CCCOc1ccc(F)cc1F 410119029 CFWWSLJKNGVKHJ-ZDUSSCGKSA-N 297.345 3.595 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1cnc2ccccc2c1 410120788 HYRIYCBRXGHKMT-MRXNPFEDSA-N 282.387 3.638 30 20 CHED C=CCOCC(=O)N(CC(C)C)c1ccccc1Cl 411087084 QVPYYWINSWNCML-UHFFFAOYSA-N 281.783 3.532 30 20 CHED C=CCCC(=O)N1CCCc2c(F)ccc(Cl)c21 411088154 BZGXAXYDZPEEDY-UHFFFAOYSA-N 267.731 3.725 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1ccc2c(c1)CCCC2 411436324 HBVXGYJYNILINX-KBPBESRZSA-N 256.393 3.908 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CC[C@H](C)SC 412838748 KKYQZXRSQFSDRP-HOCLYGCPSA-N 291.460 3.822 30 20 CHED CC(C)(C)n1cnnc1SCCC1(C#N)CCCCC1 412991582 ISGKQSWJVWEQED-UHFFFAOYSA-N 292.452 3.989 30 20 CHED Cc1cccc([S@](=O)CCC2(C#N)CCCCC2)c1 414230330 GGSZVTBDWKLGQV-LJQANCHMSA-N 275.417 3.967 30 20 CHED CC[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 415393151 OORDTSXCFYKTPP-WMLDXEAASA-N 290.382 3.764 30 20 CHED CC(C)C(C)(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416114103 XZCANMURXJYIRB-INIZCTEOSA-N 284.403 3.734 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2c(s1)CC(C)(C)CC2 416125425 WBYBKJLRDOVVBW-HNNXBMFYSA-N 291.420 3.536 30 20 CHED N#CC1(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)CCC1 418144978 WDTSUODHMQSRMN-IAGOWNOFSA-N 268.404 3.681 30 20 CHED COc1cc(CS[C@@H](C)c2ccc(C#N)cc2)ccn1 419427267 RRFCLSQPGRTQFE-LBPRGKRZSA-N 284.384 3.956 30 20 CHED Cc1c(NC(=O)[C@H]2CCCCC2(C)C)ccc(C#N)c1C#N 421555748 IODUMAIGZSCRLP-OAHLLOKOSA-N 295.386 3.893 30 20 CHED C=CCn1cc(CN[C@@H](CC(C)(C)C)c2ccccc2)nn1 424290766 CETRQDOGWXUYOM-KRWDZBQOSA-N 298.434 3.731 30 20 CHED C=C(C)CN(C)C(=O)[C@H](CC)Cc1ccccc1C 424777468 DHRDZGJHLYKBGP-OAHLLOKOSA-N 259.393 3.598 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(F)c(F)c2)no1 426446378 WVNUPZMZRRICAA-UHFFFAOYSA-N 264.275 3.869 30 20 CHED CCN(CCC#N)C(=O)c1ccc(Oc2ccccc2)cc1 426512714 CLRXWELRHQMPBK-UHFFFAOYSA-N 294.354 3.855 30 20 CHED Cc1ccccc1Sc1ccc(C(=O)NCCC#N)cc1 427632216 CEFQTUXKPMGSSI-UHFFFAOYSA-N 296.395 3.790 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@@H](C)C(F)(F)C1)c1ccccc1 427677024 IUTKPMLSXYPKKY-UKRRQHHQSA-N 293.357 3.850 30 20 CHED C=CCC1(C(=O)Nc2ccc3[nH]c(C)cc(=O)c3c2)CCC1 430184844 BVJAJONUEITANS-UHFFFAOYSA-N 296.370 3.521 30 20 CHED N#Cc1cccnc1NC[C@@H](c1ccccc1)C1CC1 431490345 KNFXUPYKXOZEJY-INIZCTEOSA-N 263.344 3.559 30 20 CHED C=C1CCN(Cc2nc3ccc(F)cc3s2)CC1 432742948 WGPPRNLYNUXHCL-UHFFFAOYSA-N 262.353 3.587 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C2CCC2)cc1 437471742 WZKFILFYAVLWBL-MSOLQXFVSA-N 299.414 3.665 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 437670448 GARWJLOGUDSMMP-CKEIUWERSA-N 284.403 3.952 30 20 CHED COc1cc(CNc2ccc(C)c(OC)c2C)ccc1C#N 440814071 ZIDHMPHLYQYGBY-UHFFFAOYSA-N 296.370 3.804 30 20 CHED C=CCCCN1CCC[C@H]1c1cccc(N(C)C)c1 441371612 MPNPFFCRIZLVQG-KRWDZBQOSA-N 258.409 3.856 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(Oc3ccccc3)nc2)C1 442782610 LJFZJXFGXOFZNT-GOEBONIOSA-N 293.370 3.656 30 20 CHED CC(C)c1ncsc1C(=O)Nc1ccc(CC#N)cc1 448593664 CXGWJHYEMRPXNZ-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C=CCC1(CNCc2cn(C(C)C)nc2C)CCCC1 449605969 ORSDRUQYQZCPKJ-UHFFFAOYSA-N 275.440 3.999 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1CC1(C#N)CCC1 451978657 BLBDGMCSJHCQCK-MRXNPFEDSA-N 272.367 3.965 30 20 CHED C=C(C)CCNC(=O)CCCc1cc(C)sc1C 452715066 BSUKFONWFAQHIZ-UHFFFAOYSA-N 265.422 3.770 30 20 CHED C=CCCCC[C@@H](C)NCC1([C@@H](O)C(C)C)CC1 453176374 MPVMPRWIZUSJSQ-CABCVRRESA-N 253.430 3.508 30 20 CHED C=CCn1c(C2CC2)nnc1N1CC[C@H](CC(C)(C)C)C1 453430469 DADNARZDIVRUBM-CYBMUJFWSA-N 288.439 3.604 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 455316799 WDUNJQYVUPZBKS-ZBFHGGJFSA-N 272.392 3.540 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)NCC(C)(C)CC#N 458246158 GMVYLYPBSRDWPE-KGLIPLIRSA-N 279.428 3.584 30 20 CHED C[C@@]1(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC=CCC1 458583330 TXGLNMDTVSXKJZ-FUHWJXTLSA-N 297.402 3.829 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N(C)CC(C)(C)C#N 458587329 MWISVUHGXABZJL-XJKSGUPXSA-N 299.418 3.501 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 459008639 LLEXTLBMNGDZNM-FZKCQIBNSA-N 291.439 3.679 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccc(F)cc1F)C1CC1 459071153 GUKIUPKURQIWDV-UHFFFAOYSA-N 294.345 3.605 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(CC#N)c1ccccc1 460051192 BLZMDPGZYPYSJE-GDBMZVCRSA-N 270.376 3.760 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)C[C@H]1C 460788572 CLBHEXVMXFIDGD-LSDHHAIUSA-N 296.418 3.756 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCC(C)=C(C)C1 460957793 JGPUALUUVXYHPI-UHFFFAOYSA-N 286.423 3.668 30 20 CHED C=CCN(CC=C)C(=O)C(C)(C)c1cccc(Cl)c1F 463264248 YLKSLCVUTUOYAA-UHFFFAOYSA-N 295.785 3.957 30 20 CHED Cc1ccc(Cl)cc1CNC(=O)Nc1ccc(C#N)cc1 466386894 HABNOGCLOVKYMB-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C=CCCN(C)C(=O)[C@@H](Cc1ccccc1)C(C)C 466644484 KCPIOJNEQRWLJK-INIZCTEOSA-N 259.393 3.536 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)C(C)C 470638228 UXJMAIYBDJAVIY-HNNXBMFYSA-N 259.393 3.883 30 20 CHED N#C[C@H]1CC[C@@H](NC2CCC(c3ccccc3)CC2)C1 471596659 LQXFOAINRBFLCA-IWCVFHTOSA-N 268.404 3.995 30 20 CHED C=CCC[C@@H](O)CN[C@@H](Cc1ccccc1)c1ccccc1 472777562 YXEWPKDSHUZGAA-UXHICEINSA-N 295.426 3.887 30 20 CHED Cc1cc(C(=O)N2CCc3ccc(C#N)cc32)cc(C)c1F 482080503 UPPNQPVFOSEIFD-UHFFFAOYSA-N 294.329 3.517 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)s1 486849050 FGOVKWXDVAUQLF-UHFFFAOYSA-N 296.273 3.891 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1sc(CC(C)C)nc1C 488882044 PSVDLPSZPOEOBR-CYBMUJFWSA-N 292.448 3.831 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CC[C@@H](C)C1 489032741 AZVMMCLMZIMJEH-RDTXWAMCSA-N 286.419 3.504 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(COC(C)C)cc1 489083469 VSNACQOWVVPYSG-UHFFFAOYSA-N 298.386 3.851 30 20 CHED C=C(C)CN(C)C(=O)NCCc1ccc(C(C)(C)C)cc1 490104779 VEVKYRANPNFNNX-UHFFFAOYSA-N 288.435 3.744 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C)C(F)(F)C1 494212131 KMZLMCOIXOUADL-NEPJUHHUSA-N 264.319 3.596 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(CC)CC1(C#N)CC1 501537493 CQLWEMWJLHQHAU-KRWDZBQOSA-N 270.420 3.942 30 20 CHED Cc1ccccc1C(C)(C)CNC(=O)c1ccc(C#N)cc1 505347810 AQODNJCSNZRZTF-UHFFFAOYSA-N 292.382 3.574 30 20 CHED CC#CCN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 505874537 KPQVUCYRUXASEK-LLVKDONJSA-N 295.226 3.922 30 20 CHED C=CCN(CCc1ccccc1)Cc1occc1C 512044243 DMUYNOREWYGZHZ-UHFFFAOYSA-N 255.361 3.819 30 20 CHED CC1(C)CCN(C(=O)c2cccc(C#N)c2)c2ccccc21 518254449 STTHLCAJHVEMRH-UHFFFAOYSA-N 290.366 3.886 30 20 CHED N#CC1(COc2c(F)cccc2Br)CCC1 530124388 KHCWGCBJQGXFSC-UHFFFAOYSA-N 284.128 3.661 30 20 CHED C[C@H]1CCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 531207199 PRAJDDMOIOLJGF-INIZCTEOSA-N 289.378 3.711 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 535888911 QBGFHUUJUMEXRM-CPUCHLNUSA-N 276.424 3.791 30 20 CHED COc1c(C)ccc(NC(=O)c2ccc(CC#N)cc2)c1C 536165315 KKJLTUDUMSKDPO-UHFFFAOYSA-N 294.354 3.630 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C)C1 538286632 GQQPUHHZDGEVOB-HZSPNIEDSA-N 252.402 3.609 30 20 CHED C[C@H]1CCC[C@@H](C)N(Cc2cccc(C#N)c2F)C1 539250244 JRLAWQXSJZKHDJ-QWHCGFSZSA-N 260.356 3.708 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccc(F)cc1F 540487558 VGDLKZMDYOZEBD-GFCCVEGCSA-N 296.361 3.851 30 20 CHED CC(C)(C)[C@H]1CCCN1Cc1ccc(CC#N)cc1 542278912 WOOWTAGSRNXQQJ-MRXNPFEDSA-N 256.393 3.763 30 20 CHED Cc1c(Cl)c[nH]c(=NCc2cccc(Cl)c2)c1C#N 544069302 UBZJTAUQQBJGOX-UHFFFAOYSA-N 292.169 3.603 30 20 CHED C=CCC[C@@H](CC)NCC1(c2ccccn2)CCC1 552337431 UKYVGPIVFIMKNY-OAHLLOKOSA-N 258.409 3.838 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)C#N 558351458 HGJUVHNYBWEZBR-UHFFFAOYSA-N 286.419 3.882 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCOc2c(CC)cccc21 559431501 IHAZFYLYNOTBBA-HNNXBMFYSA-N 287.403 3.791 30 20 CHED C[C@@H](CCC1CC1)NC1CCN(c2ccc(C#N)cc2)CC1 560550973 YXKLPOQNEHTUMO-HNNXBMFYSA-N 297.446 3.695 30 20 CHED N#Cc1ccc(N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)nc1 561358221 VUKWKKDBOPQMIX-KURKYZTESA-N 289.382 3.726 30 20 CHED Cc1cccc(C(=O)N[C@](C)(C#N)C2CCCCC2)c1 563973976 GVWNJWGBZBLQJX-QGZVFWFLSA-N 270.376 3.587 30 20 CHED Cc1c(Cl)cnc(N2CC3(CCC3)[C@@H]2C2CC2)c1C#N 565865073 HWPMRWPUHOWKSN-AWEZNQCLSA-N 287.794 3.684 30 20 CHED C=CCCCCn1ccc2cc(OC)c(F)cc2c1=O 568976541 ZKZRGZRYFNJJLR-UHFFFAOYSA-N 275.323 3.506 30 20 CHED COc1cc(OCC2(C#N)CCC2)ccc1Br 571106749 PPEGHIUFWVHBPP-UHFFFAOYSA-N 296.164 3.530 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2cccc(C#N)n2)s1 572002718 GBAJSASZDYXDKA-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 572348806 FZZQURGXMOQIAX-AVGNSLFASA-N 277.412 3.857 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CC[C@H](C)CC1 577615207 FNAJWKHHAADEFU-HDJSIYSDSA-N 264.413 3.744 30 20 CHED C=CCCCCNc1ccc2c(c1)cc(C)c(=O)n2C 577934698 LOKBNNVTRYUZTH-UHFFFAOYSA-N 270.376 3.615 30 20 CHED N#Cc1nccnc1N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 580695759 ACJFFQWESDONJY-JSGCOSHPSA-N 298.777 3.750 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1c1ccc(C#N)cn1 581569887 WHGNRDJVXJLIQH-TZMCWYRMSA-N 257.381 3.604 30 20 CHED C=CCn1c(N(C)C2CCCCC2)nnc1C(C)(C)C 583527882 UQAMQGNPYJZVLF-UHFFFAOYSA-N 276.428 3.531 30 20 CHED CC[C@@H](C)CCC(=O)N[C@@H](C)c1cccc(C#N)c1 586790972 MOCQBVBOHPAOKU-OLZOCXBDSA-N 258.365 3.562 30 20 CHED CCCCN(C(=O)CCCC#N)[C@H](C)c1ccc(C)o1 589696682 TXNVBGVUFRLMLE-CQSZACIVSA-N 276.380 3.972 30 20 CHED Cc1ccc(CCC(=O)N(C)CC(C)(C)C#N)cc1Cl 590493324 PYJSZEILZYVIBO-UHFFFAOYSA-N 292.810 3.589 30 20 CHED CC(C)CC(CC(C)C)C(=O)N1CCC[C@](C)(C#N)C1 590706043 YHGQVHPRDJHCNX-QGZVFWFLSA-N 278.440 3.847 30 20 CHED CCc1cc(C)nc(N[C@H]2CCCc3cc(C#N)ccc32)n1 591370706 FNYUHXMCEVTOLL-KRWDZBQOSA-N 292.386 3.709 30 20 CHED C=CCOCC(=O)N(CCC)c1cccc2ccccc12 591670144 YFBABEWZNYRAEC-UHFFFAOYSA-N 283.371 3.785 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1SC 593228282 HDIIJFQWNXTXJN-ZIAGYGMSSA-N 267.438 3.545 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 593446749 WOZWWGULVJYLBS-JKSUJKDBSA-N 299.418 3.524 30 20 CHED CC[C@H](CC#N)NCCCc1ccc(Cl)cc1 594009368 FYNAXKFIGXTNSN-CQSZACIVSA-N 250.773 3.554 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@H](C)CCC=C(C)C 594082942 FSBVMTDKLIODBI-ZIAGYGMSSA-N 250.386 3.520 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](C)Sc1ccccc1Cl 594088743 NVJOVTNWXPVLPX-GHMZBOCLSA-N 296.823 3.581 30 20 CHED Cc1ccc(-n2ncc(NCC3(CC#N)CC3)c2C)cc1 594714513 ACLSDQGPZYISMY-UHFFFAOYSA-N 280.375 3.595 30 20 CHED C[C@H](N[C@@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)cc1 595081947 UTXRPPOIWCIJSV-MAUKXSAKSA-N 297.446 3.616 30 20 CHED C[C@H](CCNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 595478460 DFDWPCZVWHHHLM-CVEARBPZSA-N 299.418 3.515 30 20 CHED Cc1ccccc1-c1cnc(CN(C2CC2)[C@@H](C)C#N)o1 595720912 NTUCJJVQYMNZTR-ZDUSSCGKSA-N 281.359 3.527 30 20 CHED CCN(Cc1c(C)ccc2ccccc12)[C@@H](C)C#N 595818189 SMRNPHGMNFZTAZ-AWEZNQCLSA-N 252.361 3.882 30 20 CHED N#CC1(CC(=O)N[C@H]2C[C@H]2Cc2ccccc2)CCCCC1 597293814 OORQCPRXBVIXCY-SJORKVTESA-N 296.414 3.598 30 20 CHED Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@H](C)C#N 597638546 SHKOCOFYSPNALQ-HUUCEWRRSA-N 272.392 3.700 30 20 CHED C=CCCSCCNC(=O)C(C1CCC1)C1CCC1 597969620 CXCCDYJWMMECHV-UHFFFAOYSA-N 281.465 3.628 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](SCC)C(C)C)C1 597998404 NMAYLOOAATVLQN-KGLIPLIRSA-N 269.454 3.579 30 20 CHED CC(C)(C)c1coc(NC(=O)CC2(C#N)CCCCC2)n1 598842092 AAIFZLWTVFWFBV-UHFFFAOYSA-N 289.379 3.775 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)cc1SC 598852265 FYPXYHYRMXMQTD-ZDUSSCGKSA-N 282.796 3.940 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCCc2ccc(F)cc21 602638567 PMSUSOIOIFDAAR-WBMJQRKESA-N 260.356 3.733 30 20 CHED COc1ccc2c(c1)C[C@@H](C)N(CC1(CC#N)CC1)[C@@H]2C 602807268 WLZVHVDHSAHGEW-ZIAGYGMSSA-N 284.403 3.697 30 20 CHED N#CCCc1cn(CCCc2cccc3ccccc23)nn1 603216145 CHSHKZBLWIJBMF-UHFFFAOYSA-N 290.370 3.520 30 20 CHED C[C@@H]1CCN(CCOc2cccc(C#N)c2)[C@H]2CCCC[C@@H]21 603846825 CQJMJQUMRFFDOV-LZQZEXGQSA-N 298.430 3.838 30 20 CHED Cc1cc(C)c(C#N)c(S[C@H](C)c2ccncc2)n1 604428686 RMXQSVMRBBJHHB-GFCCVEGCSA-N 269.373 3.818 30 20 CHED CCc1ccc([C@@H](C)C(=O)Nc2sccc2C#N)cc1 609018688 LOTARSSCCXXCEX-LLVKDONJSA-N 284.384 3.924 30 20 CHED Cc1cccc2c1CCCN2CCOc1ccccc1C#N 609625910 RAFXDXQNVBRIKS-UHFFFAOYSA-N 292.382 3.698 30 20 CHED COc1cc2ccccc2cc1C(=O)N[C@@H](C#N)C(C)(C)C 610668443 IUTKYQLBJKUVDR-INIZCTEOSA-N 296.370 3.516 30 20 CHED COc1ccc(CN2CCC[C@H]2C(C)(C)C)cc1C#N 610992434 DEQHPXGXOPMCSF-INIZCTEOSA-N 272.392 3.577 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccccc2C(F)(F)F)C1 612164131 ZYASFULKYAALPF-CQSZACIVSA-N 282.309 3.831 30 20 CHED N#Cc1ccccc1/C=C/c1nc([C@H]2CCCS2)no1 612949541 VQPFIBGQPVPORL-SBDDDAINSA-N 283.356 3.680 30 20 CHED CC(C)OCc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 613255052 AKRTXOHSYPNYPU-CRAIPNDOSA-N 286.419 3.784 30 20 CHED COc1ccc2[nH]c(NC(=O)C3(C#N)CCCCC3)cc2c1 617862774 OATBHDWCHQIOFB-UHFFFAOYSA-N 297.358 3.589 30 20 CHED C=CCC1(NC(=O)[C@H]2CCO[C@@H](CCC)C2)CCCC1 619111298 TYQOIOLPSAHAFA-GJZGRUSLSA-N 279.424 3.587 30 20 CHED N#CCc1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 619864944 UUGXTJQYJGXTEQ-AEGPPILISA-N 268.360 3.517 30 20 CHED C=CCCOCC(=O)N(Cc1ccccc1)c1ccccc1 620326656 SVJBEYHWQXHUIP-UHFFFAOYSA-N 295.382 3.813 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CCN(C(C)=O)c2ccccc21 621755878 CUIOZHVFVWXKPZ-WMLDXEAASA-N 286.419 3.819 30 20 CHED C=C(C)COc1cccc(N[C@H]2CCN(C)[C@H](C)C2)c1 638248171 XQXWFVOGGSQCKB-ZBFHGGJFSA-N 274.408 3.536 30 20 CHED CC(=O)c1ccc(C#N)c(NC2CC3(CCC3)C2)c1 651473421 MZKJFWIGVBFSTD-UHFFFAOYSA-N 254.333 3.505 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NC1CCC(O)(CC)CC1 657911008 ZGLXOXUUGDLSAW-SOEBMCCKSA-N 265.441 3.795 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC(C)(C)C(C)(C)O 658032935 YRXSZYPXMHSNGP-UONOGXRCSA-N 253.430 3.508 30 20 CHED C=CCCNC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 661569613 CCARATDAUWFERY-MRXNPFEDSA-N 288.366 3.637 30 20 CHED C=CCC[C@@H](O)CN1CCCC[C@H]1c1ccccc1OC 675495215 COHVLSNXKXEWDD-WBVHZDCISA-N 289.419 3.549 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)OCCCO3)CCC1 682845929 SCEJVBROKNVDCN-UHFFFAOYSA-N 287.359 3.533 30 20 CHED CCCCCCCNCc1csc(N(CC)C(C)=O)n1 703741000 VOWSXERWTQBCNG-UHFFFAOYSA-N 297.468 3.576 30 20 CHED C[C@@H](CC(=O)OCc1cccc(C#N)c1)c1ccccc1F 726843608 NWFSSILDTAAGBJ-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED C=CCCOC(=O)CCCOc1ccccc1Cl 729072703 UXYZGGLQGUBTCK-UHFFFAOYSA-N 268.740 3.618 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CCC[C@@H]2C)c1 729144915 BUICUXNNXXOXLM-JTQLQIEISA-N 279.384 3.597 30 20 CHED N#CCn1c(C(=O)OCC2CCCC2)cc2ccccc21 729767250 YTGQJMLFXDTADT-UHFFFAOYSA-N 282.343 3.512 30 20 CHED CCCC[C@@H](CCC)OC(=O)COc1ccc(C#N)cc1 730293998 ARSWILDIMPEQHV-MRXNPFEDSA-N 289.375 3.839 30 20 CHED COc1ccc(C=NNc2nc(C(C)C)cs2)cc1 730816608 ZFMLHSRQWNOUPF-UHFFFAOYSA-N 275.377 3.721 30 20 CHED O=C1/C(=C/c2ccsc2)COc2ccc(F)cc21 731565191 HSZGIUNABDIWSX-BJMVGYQFSA-N 260.289 3.546 30 20 CHED C=C(Cl)COC(=O)[C@H](C)CSc1ccccc1 732394861 QTWULNWTZBHJRH-SNVBAGLBSA-N 270.781 3.711 30 20 CHED CC(=NNC(=S)Nc1ccccc1C)C1CCCC1 733077498 AIZMPLXMLWLSJX-UHFFFAOYSA-N 275.421 3.848 30 20 CHED N#CCOc1ccc(COc2cc(Cl)ccc2F)cc1 735417268 SPGXFQLCLPZKRM-UHFFFAOYSA-N 291.709 3.960 30 20 CHED CCCCCCOCc1cccc(NC(=O)[C@H](C)C#N)c1 736673342 WIOAXANVDGVCPW-CQSZACIVSA-N 288.391 3.882 30 20 CHED CC[C@H](C)c1ccc(C(=O)COC(=O)C2(C#N)CCC2)cc1 736842412 ZKRHZVRMNVLZHJ-ZDUSSCGKSA-N 299.370 3.620 30 20 CHED CCCCC[C@@H](C)CC(=O)NCc1cc(C#N)ccc1F 742732945 KJQLNJREVXCAAU-CYBMUJFWSA-N 290.382 3.920 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1nc(C)cs1)C(C)(C)C 744011281 ZYAYWKBXCRBITH-DHHDDZJSSA-N 262.378 3.620 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C=C(\C)C(C)(C)C 744025896 HZOVQZWYBORNSZ-FMIVXFBMSA-N 287.359 3.855 30 20 CHED C=C(C)CCOC(=O)c1cc2c(C)c(C)ccc2[nH]1 744302852 CJXANDYLPKHLTL-UHFFFAOYSA-N 257.333 3.908 30 20 CHED CC#CCOC(=O)c1ccccc1SCc1ccco1 744605981 BKERFSNJQLRUPN-UHFFFAOYSA-N 286.352 3.752 30 20 CHED CCCCCCCCCCC(=O)N1CCCOCC1 746377843 XXLUTUPWZAUZAI-UHFFFAOYSA-N 269.429 3.766 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H]1CCCC[C@@H]1C 751374261 MWMHHBINIAGOFG-GJZGRUSLSA-N 264.413 3.601 30 20 CHED Fc1cc(F)c2c(c1)C(=NNc1ccccc1)CC2 752713985 XOMIEZMEFRBMNA-UHFFFAOYSA-N 258.271 3.727 30 20 CHED C#CC[C@@H](NC(=O)Nc1cccc(Cl)n1)c1ccccc1 752719385 SBACGCGYXVSCJK-CYBMUJFWSA-N 299.761 3.621 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1c(C)n[nH]c1C)C2=O 752883698 CEVPNENGZZFTFJ-AUWJEWJLSA-N 270.357 3.664 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc(C#N)cc2)co1 752891870 VNQNVCMUQDDOSK-FPLPWBNLSA-N 266.300 3.566 30 20 CHED Cc1cc(C)nc(NN=Cc2cc(Cl)ccc2Cl)n1 753691568 LEWKLUWYTNWRAU-UHFFFAOYSA-N 295.173 3.846 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1ccc(C)s1)OCC 755630232 ABRCTKWRHPSYSN-OLZOCXBDSA-N 281.421 3.605 30 20 CHED Clc1cccc(-c2n[nH]cc2C=NNC2CCCC2)c1 755688676 CPCDBFDFGRQCPU-UHFFFAOYSA-N 288.782 3.596 30 20 CHED CC(=NNc1ncccc1Cl)c1cc(F)cc(F)c1 755891167 XLNBRWZTSDXTTH-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CCCCCCCCCCNC(=O)N1CCCOCC1 756096364 QOZBMAQWPDEKTB-UHFFFAOYSA-N 284.444 3.559 30 20 CHED CC(C)CC1(CNC(=O)/C=C\c2ccccc2C#N)CC1 756988329 SCTDPFRUHJEUOX-FPLPWBNLSA-N 282.387 3.514 30 20 CHED Oc1nc(NN=C2CCC[C@@H](C3CC3)C2)nc2ccccc12 757591727 XSTOKDDYVCYKMI-GFCCVEGCSA-N 296.374 3.704 30 20 CHED C[C@@H]1CC(=NNC2CCOCC2)C[C@@H](c2ccccc2)C1 757599813 WSSKZLPAZQIVGM-HOCLYGCPSA-N 286.419 3.715 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@H](C#N)CC(C)C 758969212 LAXOKIJVYYHQAH-LDCOFTPGSA-N 290.794 3.798 30 20 CHED COc1cc(F)cc(NN=C2CCCC2(C)C)c1 759209804 JOKZFUXDGPALKX-UHFFFAOYSA-N 250.317 3.812 30 20 CHED N#Cc1c(F)ccc(/C=C/C(=O)c2ccco2)c1Cl 761477816 ALXOADPFIIHHQK-GQCTYLIASA-N 275.666 3.840 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)C(CC)CC)c1ccccc1 761782553 KMTYVDIJZLZUPH-RHSMWYFYSA-N 271.404 3.940 30 20 CHED Cc1cccc(C)c1CNC(=O)/C=C\c1ccccc1C#N 765671066 NSLUOHAZZUHBDG-KHPPLWFESA-N 290.366 3.505 30 20 CHED C#CCCCN1CCC[C@@H]1Cc1ccccc1Cl 766896350 RTSLOMIYKIPELA-OAHLLOKOSA-N 261.796 3.760 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(-c2ccc(CC)cc2)o1 767237661 RMKOFSIXCHPNSK-ZDUSSCGKSA-N 281.355 3.603 30 20 CHED C[C@H]1CCC(=NNc2ncccc2Cl)C[C@H]1C 767370701 LXGPLVSANFUUPJ-VHSXEESVSA-N 251.761 3.959 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1nccnc1Cl 769586467 PUTCOQLJPOJVJX-UWVGGRQHSA-N 266.776 3.744 30 20 CHED COc1ccsc1C(C)=NNc1c(F)cccc1F 769791392 OMJFPVAXRXEWMW-UHFFFAOYSA-N 282.315 3.871 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1ccc(N)cc1 769829963 VBQLJZUMWHJKIF-UHFFFAOYSA-N 277.730 3.897 30 20 CHED C[C@@H](Cc1cccc(F)c1)NCc1cc(C#N)ccc1F 773029473 FXACPJMDGDHLIS-LBPRGKRZSA-N 286.325 3.557 30 20 CHED COCCC1(C/N=C/c2ccccc2O)CCCCC1 773904082 BQOLORJSGPHKHD-QGOAFFKASA-N 275.392 3.798 30 20 CHED COc1cc(C)c(N[C@H](C#N)Cc2ccccc2)cc1F 773959001 FGLSMNYETGZGGQ-AWEZNQCLSA-N 284.334 3.690 30 20 CHED N#CCc1cccc(C(=O)OCC2(c3ccccc3)CC2)c1 774813560 LBRGQTROWXODSO-UHFFFAOYSA-N 291.350 3.641 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1ccc(Cl)nc1 776199920 AYWJMDHSDVPQJC-SNVBAGLBSA-N 283.828 3.766 30 20 CHED N#C[C@@H](OC(=O)Cc1cc2ccccc2o1)C1CCCCC1 776379724 XOIHTBLGZHBXSR-QGZVFWFLSA-N 297.354 3.991 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(CF)cc1 777588661 KSVQEFIIXKYEKJ-UHFFFAOYSA-N 262.372 3.918 30 20 CHED CCC(CC)[C@@H]1C[C@@H](/N=C/c2cccc(O)c2O)CCO1 777873852 VCTUJFCNAUSHMJ-TXJYOKQGSA-N 291.391 3.501 30 20 CHED COC[C@@H](C)NN=Cc1ccc(-c2cccc(F)c2)s1 777890741 IBULIKCWTPPIDK-LLVKDONJSA-N 292.379 3.513 30 20 CHED CCC(=NN[C@H](C)COC)c1ccc(Cl)c(Cl)c1 777893824 CIZZCPQLRDJNDY-SECBINFHSA-N 289.206 3.732 30 20 CHED N#Cc1c(F)cccc1C(=O)OCc1ccc(Cl)s1 778368472 YWCODVVRYLPSBH-UHFFFAOYSA-N 295.722 3.769 30 20 CHED Cn1ncc(Cl)c1/C=C1/Cc2c(Cl)cccc2C1=O 780187658 VJONMODMXXQKKD-VURMDHGXSA-N 293.153 3.549 30 20 CHED CC(C)(C#N)CNc1cc2ccccc2c(Cl)n1 781683364 AZUHNCNJCWQVBJ-UHFFFAOYSA-N 259.740 3.850 30 20 CHED CC1CCC(=CC(=O)OCCCC(C)(C)C#N)CC1 783681884 FZTBLAKLTCZOBS-UHFFFAOYSA-N 263.381 3.996 30 20 CHED C=CCCCCCOC(=O)C=C1CCSCC1 784506281 AHRLRLCHKDHEOO-UHFFFAOYSA-N 254.395 3.729 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1ccc(F)c(C#N)c1 785739039 YMBVBBUOMXWWDV-NSHDSACASA-N 295.379 3.662 30 20 CHED N#CCC1(OC(=O)c2csc(-c3ccccc3)n2)CCC1 788144301 DFPSNBBLDTTXQZ-UHFFFAOYSA-N 298.367 3.803 30 20 CHED Fc1ccc([C@H]2CCCC2=NNCCc2ccccn2)cc1 789113494 UEDWOSTVMOPFQG-QGZVFWFLSA-N 297.377 3.677 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cn3cc(C)ccc3n1)C2 789141135 AUAPJPCAZOBWOD-OQLLNIDSSA-N 288.350 3.774 30 20 CHED CCCCCC[C@@H](C)NN=C(C)c1cc(C)on1 790298003 VKTZABYDTWNCBO-LLVKDONJSA-N 251.374 3.656 30 20 CHED CCC(=NNc1cccc(Cl)n1)c1ccccc1 793175581 WUKNJXJOQRCZML-UHFFFAOYSA-N 259.740 3.961 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccccc2CC#N)C1 794347227 KCFWWDFRRRIODH-QGZVFWFLSA-N 298.430 3.580 30 20 CHED Cc1cc(C=NNCCC(F)(F)F)c(C)n1CC(C)C 794553178 YZGDSFYASLBONP-UHFFFAOYSA-N 289.345 3.637 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1cccc(Cl)c1Cl 794701666 NHRNYGJJPNUTEC-VOTSOKGWSA-N 295.169 3.931 30 20 CHED COc1ccc(C=NNc2cccc(C#N)c2)c(Cl)c1 794777186 QTEWLIUCTGZJAG-UHFFFAOYSA-N 285.734 3.666 30 20 CHED Cn1c(NN=Cc2ccc3occc3c2)nc2ccccc21 794894037 AXXGDGPRXUVUKJ-UHFFFAOYSA-N 290.326 3.766 30 20 CHED CC(=NNc1ncccc1F)c1sc(C(C)C)nc1C 794988954 BQISWQWFNZLXCE-UHFFFAOYSA-N 292.383 3.945 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cc(C)ccc1OC(F)F 795599356 KWEVTWXDHOTOBZ-OAHLLOKOSA-N 297.301 3.580 30 20 CHED N#Cc1ccc(C(=O)OC/C=C\c2ccc(Cl)cc2)o1 796142070 LOKPBRFMLFHYQQ-UPHRSURJSA-N 287.702 3.675 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCC(F)(F)C2)n1 796748260 RBYJSAUKASNCFP-ZJUUUORDSA-N 298.358 3.878 30 20 CHED C=C(C)COCCN[C@H](C)c1cc(C)c(OC)c(Cl)c1 796831850 JPEFQFAVEHODMW-CYBMUJFWSA-N 297.826 3.900 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc(Cl)c(Cl)c1 796842252 YDSPMAOFPOZIKD-CYBMUJFWSA-N 286.158 3.976 30 20 CHED C#C[C@H](NC(=O)N(CC)Cc1ccc(Cl)s1)C(C)C 798557795 ZWJVGIKBTAZOQN-LBPRGKRZSA-N 298.839 3.591 30 20 CHED C=C(CC)COC(=O)c1c(F)cccc1SC 798752662 CUMIJBWUELBDQQ-UHFFFAOYSA-N 254.326 3.671 30 20 CHED Cc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1C#N 799297291 LXZWEHNVEYJXSQ-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CC(C)(CC(=O)OCCCC#N)CC(=O)c1ccccc1 799572095 YOJGKPGPGSFGFY-UHFFFAOYSA-N 287.359 3.523 30 20 CHED CSC1(C=NNc2ccc(OC(F)F)cc2)CC1 800811629 CKWJUQHPXHOHKU-UHFFFAOYSA-N 272.320 3.581 30 20 CHED C#CC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 801528438 IFUHQLAOLMDSBC-MRXNPFEDSA-N 298.317 3.588 30 20 CHED C[C@H](C#N)OCCN(CC1CCC1)[C@H](C)c1ccccc1 801922822 POAWBMYLDLJVIA-HZPDHXFCSA-N 286.419 3.778 30 20 CHED FC(F)(F)C(=NOCc1ccncc1)c1ccccc1 803429112 WKLQBLJTRSLUFP-UHFFFAOYSA-N 280.249 3.565 30 20 CHED C=CCCCCCCNC(=O)c1cc(OC)cs1 805221075 KABRBRILBLTCNO-UHFFFAOYSA-N 267.394 3.623 30 20 CHED CC(=NN[C@H]1CCSC1)C12CC3CC(CC(C3)C1)C2 808003789 VRKQMJYDSKWGPQ-DQGBIZLVSA-N 278.465 3.674 30 20 CHED C=CCCCCCCNCc1c[nH]nc1C(C)(C)C 808418730 CJYSWDQCQURLFE-UHFFFAOYSA-N 263.429 3.933 30 20 CHED COc1cc(/C=C2/C(=O)c3ccccc3[C@H]2C)ccc1O 809158367 ADFPONNHHSLNRX-BTAWCLGRSA-N 280.323 3.784 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1c(F)cccc1Cl 809159493 QGNJXMPMQGWVOM-XQRVVYSFSA-N 279.673 3.909 30 20 CHED Cc1cc(COC(=O)c2cc(C#N)ccc2Cl)cs1 809237752 MUMIAISRHAVGLX-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C=CCCCCCCC/N=C\c1c(CO)cnc(C)c1O 811624952 XRPZJJZBNQALHX-PDGQHHTCSA-N 290.407 3.533 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccccc1F 811685295 ODGZOEAQIWAVMO-HJWRWDBZSA-N 269.250 3.733 30 20 CHED CC(=NNC(=S)NC(C)(C)C)c1cccc(C2CC2)c1 814750349 KKXPQWOSEIZLMQ-UHFFFAOYSA-N 289.448 3.551 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cccc(C2CC2)c1 814807392 RXNDLHBWARBKFJ-UHFFFAOYSA-N 280.375 3.807 30 20 CHED C[C@@H](NN=Cc1ccc2ccc(F)c(F)c2n1)C(C)(C)C 814937500 IQTVWQBVUCXVDZ-SNVBAGLBSA-N 291.345 3.871 30 20 CHED COC(=O)c1cc(NN=C2CC[C@H]2C2CCC2)ccc1C 814937913 RPRHNCOHTMFOQG-AWEZNQCLSA-N 286.375 3.760 30 20 CHED C=C(C)CN(CC)Cc1ccc2ccccc2c1O 816481456 WZNYIJSSXKNISD-UHFFFAOYSA-N 255.361 3.943 30 20 CHED N#Cc1ccc([C@H](O)COc2cccc(C3CC3)c2)cc1 818174795 OETUZOWJFRSGPR-GOSISDBHSA-N 279.339 3.548 30 20 CHED C#CCOc1ccccc1-c1noc(C(C)(C)C(=C)C)n1 818385839 VJRFIOLIIKYZCU-UHFFFAOYSA-N 282.343 3.602 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)OC[C@@H](C#N)Cc1cccs1 820447656 XDQAEXRGWTWZRH-NFAWXSAZSA-N 291.416 3.800 30 20 CHED C#CCCCCNCc1cc2ccccc2cc1OC 823990649 OMBQOPAKRWBAJN-UHFFFAOYSA-N 267.372 3.742 30 20 CHED C#CC1CCN(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)CC1 825660200 GNFAIEMZNUTBJA-SFHVURJKSA-N 296.414 3.501 30 20 CHED C#CC1CCN(Cc2csc(-c3ccsc3)n2)CC1 830321411 KTBOTSJZJLQTQP-UHFFFAOYSA-N 288.441 3.717 30 20 CHED CCc1oc2ccccc2c1C=NN[C@H](C)C(F)(F)F 834995427 DXHXSVPJUMGTER-SECBINFHSA-N 284.281 3.870 30 20 CHED C[C@]1(CC(=O)OCC#Cc2ccccc2)CC1(Cl)Cl 835092645 XHVGVQLBYXDJSO-AWEZNQCLSA-N 297.181 3.555 30 20 CHED C=CCC[C@H](OC(=O)CC1CC(F)(F)C1)C1CC1 835242933 CXRSVZAKBYEYPZ-LBPRGKRZSA-N 258.308 3.710 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 835291912 WQGZXXVXBAQPFJ-BFHYXJOUSA-N 291.778 3.925 30 20 CHED C=CCCOCCCCC(=O)N1CCCCCCCC1 836924905 JSLVTUWHEQSWMU-UHFFFAOYSA-N 281.440 3.932 30 20 CHED C=CCCCCOC(=O)CSc1ccc(C#N)cc1 837502784 PSSKYDYSACQXLP-UHFFFAOYSA-N 275.373 3.550 30 20 CHED CCCCCCCC(=O)Nc1ccnn1-c1ccccn1 839392157 GCDPZHLDXAUXKF-UHFFFAOYSA-N 286.379 3.566 30 20 CHED Cc1ccc(N(C)[C@@H]2CCCN([C@H](C)CCC#N)C2)cc1 839552206 ZWYFWZVRLWXNHN-SJLPKXTDSA-N 285.435 3.588 30 20 CHED COCC1(C/N=C/c2cc3ccccc3nc2O)CCCC1 840709437 JLYMAHCDUUPCFA-YBFXNURJSA-N 298.386 3.566 30 20 CHED C=CCNC(=S)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 840791542 VDSRCKHZUIISPA-ZDUSSCGKSA-N 298.814 3.580 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1nc(Cl)c(C#N)s1 841223455 KWLYVQYQWAYYNT-MRVPVSSYSA-N 285.800 3.679 30 20 CHED C#C[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1ccccc1 843643187 PZEFPWBUKOWGIF-JKSUJKDBSA-N 295.407 3.659 30 20 CHED C=CC[C@@H](CC)NC(=O)c1nc(Cl)sc1Cl 848033873 VOJZFSCTMSKUDC-ZCFIWIBFSA-N 279.192 3.534 30 20 CHED CCCC[C@](C)(F)C(=O)OC[C@H](C#N)Cc1cccs1 850919366 QDGNMDKVIMQBMG-WFASDCNBSA-N 297.395 3.892 30 20 CHED C=C[C@@](C)(CC)COC(=O)CCCc1cccnc1 850977454 VFWYWJWCTHTKEZ-INIZCTEOSA-N 261.365 3.550 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1CCC2(CC1)CC2 851203169 OSKKZCOVZGKQBZ-LBPRGKRZSA-N 263.381 3.828 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)O[C@H](C)CC(C)(C)C#N 851210708 XNTHXIHKEGRKFO-QWHCGFSZSA-N 291.366 3.876 30 20 CHED C=C[C@@H](OC(=O)C1SCCCS1)c1ccccc1 851452811 WYNFXUSJLIKSLO-GFCCVEGCSA-N 280.414 3.653 30 20 CHED N#CC[C@H]1CCCN(Cc2nc(Cl)ccc2Cl)C1 852319928 TYFVBUCTFPYNTO-SNVBAGLBSA-N 284.190 3.514 30 20 CHED C#Cc1cccnc1NCc1ccccc1CN(CC)CC 853096378 ZEOJKPLHTSGADV-UHFFFAOYSA-N 293.414 3.517 30 20 CHED CC[C@@H]1COCC1=NNc1nc(-c2ccccc2)cs1 853281176 WKVLYQQSCUKHET-LLVKDONJSA-N 287.388 3.634 30 20 CHED CC(C)C#CC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 854990180 JJOQKYZGGCXHSQ-MRXNPFEDSA-N 269.388 3.646 30 20 CHED CCCCC[C@H](C)CC(=O)N1CCC[C@@H](CC#N)C1 855254223 GQDBJTJYCFORAC-GJZGRUSLSA-N 264.413 3.745 30 20 CHED CCCCCCCNC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 858113185 DCYKBTAUICDVNS-GJZGRUSLSA-N 296.455 3.556 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(c2ccc(F)cc2)CC1 868268606 KJOLOSBKLUZWOX-CYBMUJFWSA-N 290.382 3.679 30 20 CHED Clc1cc(NN=CC2([C@@H]3CCCCO3)CCC2)ccn1 872387463 ALRFIIAVGFTVEK-ZDUSSCGKSA-N 293.798 3.872 30 20 CHED C#CCCCCCCNC1CCN(C2CCCC2)CC1 877083034 HHFJLZFPTPDTKR-UHFFFAOYSA-N 276.468 3.567 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 878040697 KUXPFZDXMASMOQ-INIZCTEOSA-N 287.403 3.961 30 20 CHED C=CCCC[C@@H](NCc1cn(CC=C)nn1)c1ccccc1 883230794 QOPPCDGAWDPIMZ-GOSISDBHSA-N 296.418 3.651 30 20 CHED C=CCC1(O)CCN(CC[C@H](C)c2ccccc2)CC1 895834727 QDQVSLOOOAFVRU-INIZCTEOSA-N 273.420 3.583 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cnn(CC3CCC3)c2)s1 899365100 OLMFFGQHFRCNRZ-XQRVVYSFSA-N 297.383 3.512 30 20 CHED N#CC1(CCCCS(=O)(=O)C2CCCCC2)CCC1 899479251 UCSCTNNTIAWKPZ-UHFFFAOYSA-N 283.437 3.598 30 20 CHED C=C(C)C[C@@H](NC1CCC(c2ccccc2)CC1)C(=O)O 901680354 WQVWGUDDAJWQIG-OFLPRAFFSA-N 287.403 3.722 30 20 CHED C=CCC[C@H](NC1CC(c2ccc(Cl)cc2)C1)C(=O)O 901690131 KURORJPXYXVPEM-ZALBZXLWSA-N 293.794 3.595 30 20 CHED CCCCN1CCC(N[C@H](CC)c2cccc(C#N)c2)CC1 902779663 YUXZIMMFJFHURJ-LJQANCHMSA-N 299.462 3.863 30 20 CHED CCC[C@H](NCC1(C#N)CCC1)c1cccc([N+](=O)[O-])c1 903032447 TYEOFIIIEWFPHW-HNNXBMFYSA-N 287.363 3.719 30 20 CHED CC(C)Cc1ncc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)s1 905936202 TYHUYVLOSDGOFY-NEPJUHHUSA-N 292.404 3.581 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC#N)c1ccc(Cl)cc1 905972083 DOJKOOIFVBEJJZ-LBPRGKRZSA-N 276.767 3.799 30 20 CHED Clc1cccc(-c2ccc(C=Nn3cnnc3)s2)c1 914690448 VJXZHBXYFJYWKR-UHFFFAOYSA-N 288.763 3.542 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccccc2C(F)(F)F)o1 916259882 PCFJSJOMJYSILM-UHFFFAOYSA-N 299.208 3.653 30 20 CHED COc1cc(C=NNc2cc(C)cc(C)c2)cc(OC)c1 916346651 MTISPPLQLSLQNB-UHFFFAOYSA-N 284.359 3.767 30 20 CHED COc1ccc(CNN=Cc2ccc(OC(C)C)cc2)cc1 917547284 NXSUJGDVNICBAT-UHFFFAOYSA-N 298.386 3.606 30 20 CHED Cc1noc(C)c1C=NNc1cccc2c1CCCC2 917552571 KRAVSAXWBOEIAF-UHFFFAOYSA-N 269.348 3.616 30 20 CHED C=CCN(C(=O)NCc1ccc(OC(C)C)cc1)C(C)C 918063518 DEVIQJSZGZSAHC-UHFFFAOYSA-N 290.407 3.580 30 20 CHED Oc1ccccc1/C=N/CCc1ccccc1Cl 921261762 VIJQUVRTINARQS-GZTJUZNOSA-N 259.736 3.707 30 20 CHED COC(=O)Nc1cccc(N[C@H](C)CC(C)(C)C#N)c1 925756893 BQSAEZWLOHUZNB-LLVKDONJSA-N 275.352 3.605 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cc(-c2ccccc2)no1 926628063 SDXOMDDMMYMOOV-ZDUSSCGKSA-N 281.359 3.686 30 20 CHED CC#CCCNC(=O)Nc1ccccc1COC(C)(C)C 932540677 YSGLVWYFXNVHFB-UHFFFAOYSA-N 288.391 3.537 30 20 CHED CC(=NOC(C)(C)C)c1c(C)nn(C(C)C)c1C 1116404907 QLSYNPTVLDYNKL-UHFFFAOYSA-N 251.374 3.620 30 20 CHED C=CC[C@@H](N[C@H]1CCCc2ncccc21)c1ccncc1 1118991934 TUZJURWNOHHRLU-AEFFLSMTSA-N 279.387 3.761 30 20 CHED CCCC[C@H](C(=O)[C@H](C#N)c1nccn1CC)C(C)C 1123336840 LWQKBPZNASHTHY-KBPBESRZSA-N 275.396 3.542 30 20 CHED CCc1nc(C#N)cc(NCC2CCC(C(C)C)CC2)n1 1162775437 WUTREMBHICKRRN-UHFFFAOYSA-N 286.423 3.785 30 20 CHED Cc1ccc2oc(CNc3ccc(C#N)c(C)n3)cc2c1 1163734221 VYGDLIFMKUHUCP-UHFFFAOYSA-N 277.327 3.928 30 20 CHED Cc1cc2c(SCc3cc(C#N)ccn3)ncnc2s1 1189225012 HTWQODRUOIZZDD-UHFFFAOYSA-N 298.396 3.559 30 20 CHED C=C(C)CCC(=O)Nc1c(F)cccc1NC1CC1 1262613030 SJOBBLQAVBRDAG-UHFFFAOYSA-N 262.328 3.695 30 20 CHED C=C(CC)C(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 1263711146 SAWKIMWIEHVTNM-MRXNPFEDSA-N 297.402 3.593 30 20 CHED CCOC(=O)c1cccc(Sc2cc(C)ncc2C#N)c1 1307108601 NRKOTHVFSGTQDZ-UHFFFAOYSA-N 298.367 3.590 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1 1310872806 PZJQTNFCVFKRSB-PVXIVEMSSA-N 285.391 3.813 30 20 CHED CC1(C)CC[C@H](NC(=O)Nc2cc(C#N)c(F)cc2F)C1 1311137156 BUOUYXAAKVNJTP-JTQLQIEISA-N 293.317 3.537 30 20 CHED CSc1ccccc1NC(=O)CC#Cc1ccccc1 1319308255 PMIHKIAMHUSYCE-UHFFFAOYSA-N 281.380 3.789 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cccc(Cl)c1Cl 1320306363 QZXTWBWAWKYMAW-UWVGGRQHSA-N 274.191 3.845 30 20 CHED CCCCCCCCNC(=O)Cc1c[nH]c2cnccc12 1326298768 OSIPZLYSSMKBKM-UHFFFAOYSA-N 287.407 3.582 30 20 CHED N#CCC1(CSCc2nccn2Cc2ccccc2)CC1 1327715409 XERPLJRZSJMLOO-UHFFFAOYSA-N 297.427 3.858 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnn(C2CCCCC2)c1 1328444038 INLRKKGXQPPXNJ-UHFFFAOYSA-N 289.423 3.863 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1cccc(F)c1F 1328653149 IOHKBMZAIKZWDI-UHFFFAOYSA-N 284.375 3.854 30 20 CHED C=C(C)CCC(=O)N(Cc1ccc(F)cc1)C(C)C 1337096416 KRYQZYZAYSVUBD-UHFFFAOYSA-N 263.356 3.919 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cc3ccc(F)cc3s2)C1 1347136813 KMQQVIIDBOTGSN-BXKDBHETSA-N 289.331 3.889 30 20 CHED CC[C@H](C#N)N(CC)C(=O)Cc1cccc2ccccc12 1349907042 NMRPESVYKYPNOD-MRXNPFEDSA-N 280.371 3.533 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(F)cc2cccnc12 1353904660 LWYJFMOYJLJJRW-HNNXBMFYSA-N 298.361 3.945 30 20 CHED CCC1(C(=O)Nc2ccc(F)c(C#N)c2)CCCCC1 1361168273 NXCJVGFVDTZTCO-UHFFFAOYSA-N 274.339 3.996 30 20 CHED N#Cc1cccc(C#N)c1SCc1nc2ccccc2[nH]1 1458428727 SIIFWVVIQOUTQL-UHFFFAOYSA-N 290.351 3.599 30 20 CHED C[C@@H](CN(C)c1ncc(C#N)cc1F)C1CCCCC1 1458527561 AQZJAMKYPVXYNN-LBPRGKRZSA-N 275.371 3.745 30 20 CHED CCN(Cc1ccccc1)c1nc(C#N)c(Cl)s1 1472640273 UTOYLFZIOZJWRP-UHFFFAOYSA-N 277.780 3.695 30 20 CHED CC1(C)C[C@@H]1Nc1c(Br)cccc1C#N 1559209666 JQWQUWVLOKILEW-JTQLQIEISA-N 265.154 3.531 30 20 CHED C[C@@H]1[C@@H](CNCc2ccc(C#N)cc2)CCC[C@H]1C 1560456448 WGZVFPKHBXPKPW-JKIFEVAISA-N 256.393 3.720 30 20 CHED Cc1cnc(OC(C)C)c(NC[C@@H](C)CCC#N)c1 1560849273 SOFVEOXHSSXNTQ-LBPRGKRZSA-N 261.369 3.529 30 20 CHED Cc1cc(Cl)ccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 1596979440 YFWQFDCRHVMGEO-AAEUAGOBSA-N 277.751 3.888 30 20 CHED CC(C)[C@@H](CN1CCC[C@@H](C#N)C1)c1ccccc1 1621519761 ZWAYDTBFUBCRKO-DOTOQJQBSA-N 256.393 3.662 30 20 CHED CCc1ccccc1CSc1cccnc1C#N 1652837855 AYEJEWVOMJCVIY-UHFFFAOYSA-N 254.358 3.808 30 20 CHED CC(C)C[C@@H](C)NCc1cc(C#N)ccc1Br 1657624577 JXYVFQUTPZDZAK-LLVKDONJSA-N 295.224 3.845 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)CC1CCSCC1 1658259503 XWOLPYDANODYTH-UHFFFAOYSA-N 288.460 3.912 30 20 CHED N#C[C@H]1CCCN(CCc2ccc3ccccc3c2)C1 1660079052 HCLKEQLOVMMIHU-MRXNPFEDSA-N 264.372 3.618 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 1666946744 XJSAEHAWYUBNFX-IPYPFGDCSA-N 285.391 3.752 30 20 CHED Cc1c(NN=C2C[C@@H](C)CC[C@H]2C)cccc1C(=O)O 1776087952 GRGNSYYMORNXHW-WDEREUQCSA-N 274.364 3.917 30 20 CHED C=C(C)CON=Cc1c(F)ccc2sc(C(=O)O)cc12 1776090345 DYINCIJVWZCFPY-UHFFFAOYSA-N 293.319 3.665 30 20 CHED C=CCCCCCN(C)c1c(C(=O)O)nnc2ccccc12 1776173468 UIEZWABZGDGGKF-UHFFFAOYSA-N 299.374 3.511 30 20 CHED Cc1ccc(OCCC(=O)Nc2ccccc2C#N)cc1C 20261522 ZQSNDFGJJLUVPM-UHFFFAOYSA-N 294.354 3.583 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1C)c1nc(-c2ccccc2)cs1 57329463 LVDDEDWPPJNAMN-TZMCWYRMSA-N 298.411 3.985 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(F)ccc1Cl 105036306 JIGHGQTUVAFVPZ-UHFFFAOYSA-N 270.735 3.909 30 20 CHED C=CC[C@@H](C)NCc1cn(CCC#N)nc1-c1ccccc1 116927738 ODWOTLBUPZWALL-OAHLLOKOSA-N 294.402 3.518 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)NCCCCC#N 178658819 VMHAEJJBMPELAS-ZIAGYGMSSA-N 279.428 3.584 30 20 CHED C[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 119623034 VJMNITABAHEONB-IPYPFGDCSA-N 270.376 3.562 30 20 CHED C=CCNC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 64479572 MMDCZVPKPQYDME-UHFFFAOYSA-N 291.394 3.883 30 20 CHED Cc1ccc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)o1 60529320 BGWJZTAGYNRIQH-VOTSOKGWSA-N 258.321 3.505 30 20 CHED Cc1ccccc1OCCCC(=O)Nc1ccc(C#N)cc1 20261549 GLZIJTHRZARQOW-UHFFFAOYSA-N 294.354 3.664 30 20 CHED C=C(C)CN1CCC(NC(=O)CC2CCCCCC2)CC1 176285918 MPOALBULJVNFGS-UHFFFAOYSA-N 292.467 3.504 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCCN(C2CCCC2)CC1 172582452 GFNUPHBESFJZDI-INIZCTEOSA-N 297.446 3.570 30 20 CHED CN(CC1CCCCC1)C(=O)Nc1ccc(F)c(C#N)c1 171087062 OLYUMAFHEGVNOT-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=CCCCS[C@@H](C)C(=O)Nc1cccc(F)c1 117944542 KXMUMRWOEUFQSS-NSHDSACASA-N 267.369 3.852 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)n(C)c1C 412843965 SWTMOVXZLYZPFV-QGZVFWFLSA-N 296.414 3.559 30 20 CHED CC(C)(C)C(CSCCC#N)CSCCC#N 413010015 FNRDWJBVSYSOSX-UHFFFAOYSA-N 270.467 3.942 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 128706977 HQZUMPNIFVYQGH-CYBMUJFWSA-N 294.329 3.996 30 20 CHED C[C@H]1CCCCN(c2ccc3cc(C#N)ccc3n2)C1 302449912 SQTRYOYNCQNQEB-ZDUSSCGKSA-N 265.360 3.733 30 20 CHED C=C(Br)CNC(=O)CCCC1CCCCC1 60114558 WZKCXEARYQFPRZ-UHFFFAOYSA-N 288.229 3.762 30 20 CHED N#Cc1cc(Cl)ccc1CN(Cc1ccncc1)C1CC1 187360805 PXCRXTBEBNYZIZ-UHFFFAOYSA-N 297.789 3.771 30 20 CHED Cc1cscc1C(=O)Nc1sc2c(c1C#N)CCC2 175262997 AVXBQCIEJAWEMB-UHFFFAOYSA-N 288.397 3.731 30 20 CHED Cc1ccc2[nH]c(CNCC3(C#N)CCC3)cc2c1C 418144474 UEJZWXCYBIVUHK-UHFFFAOYSA-N 267.376 3.568 30 20 CHED N#Cc1ccc(CNCCc2csc3ccccc23)o1 174317613 OBGAIGXGQSWULQ-UHFFFAOYSA-N 282.368 3.698 30 20 CHED C=CCN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 113009345 DPIRQLIHXDIZCY-UHFFFAOYSA-N 280.371 3.557 30 20 CHED Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(C#N)s2)s1 123178106 VYGCBVZUAJDBGG-SNVBAGLBSA-N 291.445 3.886 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 28495433 SQLRQLKFELGLSQ-BQYQJAHWSA-N 271.247 3.630 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1csc(-c2ccccc2)n1 176031503 VHJHJUNTABZYRO-ZDUSSCGKSA-N 286.356 3.515 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1C 35256420 KZOMFDCXFYIAOL-CQSZACIVSA-N 280.371 3.726 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1cccc([N+](=O)[O-])c1 36138449 YHFDRJFASBZPOL-SNVBAGLBSA-N 285.278 3.779 30 20 CHED CC(C)OCCNc1ccccc1SC[C@H](C)C#N 178387803 REZXWWPBFLXXLJ-CYBMUJFWSA-N 278.421 3.775 30 20 CHED C[C@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 171768519 GEGMCAVMTIHCBI-FBIMIBRVSA-N 297.185 3.515 30 20 CHED COc1ccc(O)c(/C=N/CCCOC2CCCCC2)c1 72755455 AFPGESDAUPQYJJ-QGOAFFKASA-N 291.391 3.559 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1ccc(SC)cc1 24049028 KRVZEBZXWNCYFW-UHFFFAOYSA-N 299.351 3.508 30 20 CHED CC[C@H](C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 66397661 YBAFXCFBQUTAML-SWLSCSKDSA-N 272.392 3.711 30 20 CHED C=CCCC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 178131087 DWOOZYSCHRIAQT-OAHLLOKOSA-N 263.356 3.995 30 20 CHED Cc1nc2c(c(N[C@@H](C)c3ccc(C#N)cc3)n1)CCCC2 302028502 AVQQCTUVCPQBIR-LBPRGKRZSA-N 292.386 3.709 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 128198694 IOYOFWBSNPPTOS-SUMWQHHRSA-N 298.361 3.789 30 20 CHED CCCCCC[C@](C)(CC)C(=O)N[C@@H](C#N)CC 123700053 NMTJHQOXTXMAHF-HIFRSBDPSA-N 252.402 3.791 30 20 CHED C=C(C)CN(CC)S(=O)(=O)c1c(C)c(C)cc(C)c1C 301493006 TUUXHSMSBRCFMK-UHFFFAOYSA-N 295.448 3.507 30 20 CHED Cc1c(NCc2ccc(F)c(C#N)c2)cccc1[N+](=O)[O-] 123653804 LWGQMBUKVPPPDU-UHFFFAOYSA-N 285.278 3.526 30 20 CHED COc1ccc2c(c1)[C@H](Nc1ccc(C#N)cc1)CCO2 37212178 FRJDWRFYYSZPAC-MRXNPFEDSA-N 280.327 3.503 30 20 CHED CCOc1ccc(O)c(/C=N/CCC[C@H]2CCCCO2)c1 184307263 IWWIRWLZBUSOOT-COYFKBPASA-N 291.391 3.559 30 20 CHED C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 122774874 GUBYZDYZPHHFDN-GRDNDAEWSA-N 299.418 3.839 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1C 127868401 MUCQKVOFKBRUKF-NSHDSACASA-N 292.795 3.530 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 181806048 ILNMLBBCLSVADD-SNVBAGLBSA-N 280.334 3.571 30 20 CHED C[C@@H](C#N)CNCc1cc(Cl)ccc1OC1CCCC1 183828734 JIODWVULJBRCAZ-LBPRGKRZSA-N 292.810 3.911 30 20 CHED C[C@@H](CC(=O)N(CC#N)C1CCCC1)c1ccc(F)cc1 125021071 NLMTYHWWHXEYMJ-ZDUSSCGKSA-N 288.366 3.614 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CCC[C@@H]1CC 410554465 ABGLGHZVDVUUIQ-UONOGXRCSA-N 264.413 3.791 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)NC[C@H](C)C#N)CCC2 182741680 CAXUEIZAHLKWDI-CXAGYDPISA-N 299.418 3.646 30 20 CHED N#Cc1ccc(OCCO[C@H]2CCCCO2)c2ccccc12 419058919 WTMGEHLSLFUNBS-SFHVURJKSA-N 297.354 3.633 30 20 CHED N#Cc1nn(CC2CCC(F)(F)CC2)c2ccccc12 413005403 YXNKEDFYNDWTON-UHFFFAOYSA-N 275.302 3.733 30 20 CHED C=CCOc1ccc(C(=O)N2CCc3ccsc3C2)cc1 123700310 RHUJIFALWATJBB-UHFFFAOYSA-N 299.395 3.511 30 20 CHED C=CCn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O 124372277 WTHCRCGVKLISSA-UHFFFAOYSA-N 290.366 3.866 30 20 CHED C=C(Cl)CSCC1CCN(C(=O)C(C)(C)C)CC1 185605555 GJPFELFYZOBUGG-UHFFFAOYSA-N 289.872 3.757 30 20 CHED CC[C@H](CC#N)NCc1ccccc1OC1CCCC1 184089381 YHFTYTNZZJQPDB-OAHLLOKOSA-N 272.392 3.790 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2nc(C)co2)cc1 188437535 OSMDGUGNMKCGOI-ZDUSSCGKSA-N 258.346 3.518 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](COCC)C(C)C)c1ccccc1 189535636 RJBXAXNMEYIDKK-SJORKVTESA-N 289.419 3.524 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1CCC[C@H]1C 185939078 GVSXYIABRUUEBK-CABCVRRESA-N 264.413 3.601 30 20 CHED Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1C(=O)NC(C)C 185746953 IMXXMOGVCDGVLD-GJZGRUSLSA-N 299.418 3.628 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N1CCc2cc(C#N)ccc21 416015459 QOFZPWFCUJYESB-GDBMZVCRSA-N 282.387 3.664 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)CC1 501199556 BGOSBRKWJIOBNG-CQSZACIVSA-N 272.392 3.579 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)CCCC(=O)N3)s1 130462362 GEQWDNDMXMVHTB-UHFFFAOYSA-N 297.383 3.507 30 20 CHED Cc1cc(C)c(NC(=O)[C@H](C)SCCC#N)c(Cl)c1 413009956 FAIYADGHUXQPDR-NSHDSACASA-N 296.823 3.931 30 20 CHED C/C=C(\CC)C(=O)Nc1ccccc1SCCC#N 188781424 OQPKJFPBURTQSO-KGVSQERTSA-N 274.389 3.987 30 20 CHED CC(C)(C#N)CCN1CC2(CCOCC2)[C@H]1c1ccccc1 412017267 XZDPBOVKECBFHR-QGZVFWFLSA-N 298.430 3.780 30 20 CHED CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCCCCC1 413098730 COMONBKMWCJIBE-ZWKOTPCHSA-N 296.414 3.843 30 20 CHED Cc1cc(C)nc(N=C(O)[C@]2(C)CCc3ccccc3C2)n1 329640491 XDRGSHFFBCNZLK-GOSISDBHSA-N 295.386 3.877 30 20 CHED O=C(/C=C/c1cncs1)c1c[nH]c2ccccc12 130003068 CRZSZQITEXWRIA-AATRIKPKSA-N 254.314 3.521 30 20 CHED Cc1ccc(-c2nc(CN(C)[C@H](C)CC#N)cs2)cc1 177363111 VHDKYLNSMPLISM-CYBMUJFWSA-N 285.416 3.853 30 20 CHED Cc1ccccc1NC(=O)Nc1ccc(F)cc1OCC#N 135268547 NQPOWECCKSSSMD-UHFFFAOYSA-N 299.305 3.681 30 20 CHED C[C@H](CC#N)NC(=O)CCCc1ccc(Cl)c(Cl)c1 194638204 QFXCAHYWQSTNPU-SNVBAGLBSA-N 299.201 3.734 30 20 CHED C[C@]1(/C(O)=N/CC[C@H]2C[C@H]3CC[C@H]2C3)CCC(O)=NC1 328685383 XKEPZBIGDQRXTA-QCQGSNGOSA-N 278.396 3.526 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 83192638 TZCZCDWXBPQAQR-CMDGGOBGSA-N 292.294 3.972 30 20 CHED CC1(CC(O)=Nc2n[nH]c(C3CCC3)n2)CCCC1 329670149 MREDMYLYTRWKJJ-UHFFFAOYSA-N 262.357 3.631 30 20 CHED CC[C@@H](C(=O)N1CCc2c(C#N)cccc21)c1ccccc1 421653384 YOMURZRJEBCREL-MRXNPFEDSA-N 290.366 3.641 30 20 CHED Cc1ncc(N=C(O)C[C@@H]2C=CCCC2)c(C2CC2)n1 329818520 XFDPYJVMPXSQFX-GFCCVEGCSA-N 271.364 3.997 30 20 CHED O=C1/C(=C/c2cccc3c2OCO3)CCc2ccccc21 44013159 YIDJKORJTQLLSW-JLHYYAGUSA-N 278.307 3.628 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(COC)cc2)no1 426444042 SFTIBJVVVCIBGN-UHFFFAOYSA-N 272.348 3.737 30 20 CHED C[C@H](C(=O)N(CC#N)C1CC1)c1ccc(Cl)c(Cl)c1 81932931 VLMCODUCOPIZMZ-VIFPVBQESA-N 297.185 3.611 30 20 CHED N#CCSCC(=O)OCc1ccc(-c2ccccc2)cc1 193040055 DJFPRQIZIVXMOM-UHFFFAOYSA-N 297.379 3.654 30 20 CHED CC1(c2ccccc2)CCN(c2cccc(C#N)n2)CC1 511643229 CZSGINDNFCKWTK-UHFFFAOYSA-N 277.371 3.511 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(OCC)c(F)c1)OCC 339205694 UYXLITHBTGAVOL-OAHLLOKOSA-N 295.354 3.534 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc(C(F)(F)F)cc2)no1 334657450 WYMDRJPERZRLAG-AMIZOPFISA-N 293.248 3.557 30 20 CHED Cc1nc(-c2ccccc2)sc1NC(=O)[C@@]1(C#N)C[C@H]1C 334622543 UISPIBLPFNSSQS-QLJPJBMISA-N 297.383 3.607 30 20 CHED C=CCN(CC=C)C[C@H](OC(C)C)c1ccccc1 428453918 CIMBWIFLKGHEHQ-KRWDZBQOSA-N 259.393 3.827 30 20 CHED C=CCOc1ccc(C(=O)N2CCC(C)(C)CC2)cc1 339142277 IROLZKGWLLMZJR-UHFFFAOYSA-N 273.376 3.514 30 20 CHED Cc1cc(C#N)cc(N[C@@H](C)c2ccc(F)cc2F)n1 339969801 UOLBSGXTXUAWPZ-JTQLQIEISA-N 273.286 3.713 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1sccc1C 338757556 NCYLCSFKOOFNIX-CQSZACIVSA-N 251.395 3.617 30 20 CHED C=C[C@@H](C)NC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 512368915 RMJJHZVIUTYMKO-CYBMUJFWSA-N 286.419 3.626 30 20 CHED N#Cc1c(F)cccc1COc1cccc(N2CCCC2)c1 427510679 ASKMADBYNPJOQC-UHFFFAOYSA-N 296.345 3.877 30 20 CHED C=C[C@H](CC(=O)NCc1cc(C)nc(C)c1)c1ccccc1 421581808 ZEAMSSOIADQGIT-QGZVFWFLSA-N 294.398 3.675 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@]12CCC[C@@H]1C2 421438546 QYDDJWABZOPTDH-IEBWSBKVSA-N 296.414 3.733 30 20 CHED C=C(Cl)CSc1ncnc2sc(C)cc12 90221877 FLWNFFFRAKWACO-UHFFFAOYSA-N 256.783 3.844 30 20 CHED CCCCC1CCC(/N=C(/O)c2cncnc2C)CC1 330371002 HHGNXKYOUCSUJI-UHFFFAOYSA-N 275.396 3.839 30 20 CHED C=CCN(CCc1ccccc1)Cc1c[nH]nc1C(C)(C)C 512046620 VLMFTGAQGCZGHX-UHFFFAOYSA-N 297.446 3.938 30 20 CHED CCSCCCNc1nc(C(C)(C)C)ccc1C#N 619698813 JSEKIBFNBCDKHM-UHFFFAOYSA-N 277.437 3.806 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OC)c(C2CC2)c1 435656816 ULXTXOWEPBFZRE-UHFFFAOYSA-N 273.376 3.611 30 20 CHED CCOc1ccc(Oc2snc(Cl)c2C#N)cc1 92582127 ILGUAONZLYLERI-UHFFFAOYSA-N 280.736 3.859 30 20 CHED N#Cc1ccncc1NCCCc1c[nH]c2ccc(F)cc12 336881644 BEYHLZJLAQBIDG-UHFFFAOYSA-N 294.333 3.618 30 20 CHED Cc1ccc(C(C)(C)CN(C)[C@@H]2CC[C@H](C#N)C2)cc1 438985765 ORQDBEAGXIWOIO-DOTOQJQBSA-N 270.420 3.897 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 93090713 VXSILXXCAJAAHJ-GFCCVEGCSA-N 299.330 3.589 30 20 CHED N#Cc1cccc(C#N)c1N1CC[C@@H](c2ccccc2F)C1 338733116 IFPWZFQPECYWIS-OAHLLOKOSA-N 291.329 3.563 30 20 CHED CCc1nc(C)c(N/C(O)=N/C(CC)CC)s1 331173494 DOVZMXPUSRSOQL-UHFFFAOYSA-N 255.387 3.528 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1CC1(C#N)CC1 439324298 RWLWQDOVCGSBKU-GOEBONIOSA-N 254.377 3.558 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]([C@H](C)CC)C(F)(F)F 439404144 AGPHRCJFZDBEBT-VWYCJHECSA-N 280.334 3.617 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 437293650 WWBMRWHVBFFELQ-ZXIHIIQKSA-N 279.330 3.539 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(F)cc1C 432737114 AQIOXQJLBRELOK-UHFFFAOYSA-N 264.344 3.858 30 20 CHED N#Cc1ccc(F)c(CSCc2cccnc2)c1 341996781 LNGFKGRIYGVTSI-UHFFFAOYSA-N 258.321 3.526 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(CCC)c1C1CC1 343260105 PLJRCIKLGFTXII-CYBMUJFWSA-N 289.423 3.645 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(NCC(C)C)cc1 437263515 SOKIIDYJPNVSAV-UHFFFAOYSA-N 272.392 3.569 30 20 CHED CCC[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 341170756 AIKLDLMAWQNRSU-KRWDZBQOSA-N 296.345 3.969 30 20 CHED CC1(C)C[C@@H](NC(=O)c2ccc(C#N)cc2)c2ccccc21 431828537 QXEVAABWLKCZAE-QGZVFWFLSA-N 290.366 3.711 30 20 CHED CC#CCN(CCc1ccccc1F)C1CCCC1 525633036 DKQBDEITRGDRRB-UHFFFAOYSA-N 259.368 3.636 30 20 CHED C=CCC[C@@H](NCc1ccc(F)cc1F)C1CC1 439086493 OXZLNAYVAKGPAG-OAHLLOKOSA-N 251.320 3.799 30 20 CHED Cc1ccnc(Oc2cc(NC(=O)[C@H](C)C#N)ccc2C)c1 346244645 CDVJRFWXUDWVPM-CYBMUJFWSA-N 295.342 3.589 30 20 CHED CCC1(C(=O)Nc2cc(C#N)c3ccccc3n2)CCC1 345024412 JOYUHBZBJBQGFJ-UHFFFAOYSA-N 279.343 3.625 30 20 CHED CCCCC1CCC(CNC(=O)c2cnccc2C#N)CC1 345104090 QJURLUQZLFSJSL-UHFFFAOYSA-N 299.418 3.680 30 20 CHED COc1ccccc1S[C@@H](C#N)Cc1ccccc1 604469216 LSJCDCBEWSDCKJ-CQSZACIVSA-N 269.369 3.922 30 20 CHED N#Cc1ccc(CN(CC2CCSCC2)C2CC2)cc1 602440891 MFZFGLRSQPROSL-UHFFFAOYSA-N 286.444 3.666 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(C)sn2)CCCC1(C)C 347476744 BVGZILCNIAOVSV-ZDUSSCGKSA-N 278.421 3.658 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H](c2ccccc2)C1 602670924 SDJUWQBUPQZOJK-NVXWUHKLSA-N 256.393 3.806 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(CSCC)c1 341938976 BFKBUYONNFKDAY-UHFFFAOYSA-N 278.421 3.980 30 20 CHED C=CCCN(C)c1nc(C)nc2sc3c(c12)CCC3 341496078 QRGATIYQHBZGHP-UHFFFAOYSA-N 273.405 3.501 30 20 CHED N#Cc1ccc(Oc2cccc(Oc3ccccn3)c2)nc1 602376638 WEPSCSUOCXYKRD-UHFFFAOYSA-N 289.294 3.933 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CCC(C)(C)CC1 435731544 KTZIMIXSKCWDQA-UKRRQHHQSA-N 251.414 3.526 30 20 CHED CC1(C)Cc2cc(/C=C\C(=O)c3cccnc3)ccc2O1 255027611 NWSRWQVXRCWCTK-ALCCZGGFSA-N 279.339 3.691 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2CC#N)C1 601037887 FNJVGWNLOAGXOX-JKSUJKDBSA-N 284.403 3.697 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2ccsc2)CC1 602622483 IUTIHQLCCIADLJ-ZDUSSCGKSA-N 262.422 3.867 30 20 CHED O=C1/C(=C\c2cccnc2Cl)Cc2cc(F)ccc21 255320121 YJEIMNCMZXUOAS-WDZFZDKYSA-N 273.694 3.697 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(OC(C)C)cc1 604546201 UJYGQJGHHPHMBK-KRWDZBQOSA-N 288.391 3.532 30 20 CHED C=CCCC1(C(=O)NCC2(C(F)(F)F)CCC2)CC1 343192160 KKYKXSVAWSMNGU-UHFFFAOYSA-N 275.314 3.582 30 20 CHED C=C(C)CN(CC)C(=O)COc1ccc2ccccc2c1 255933122 DIVSCKWXCOJDDX-UHFFFAOYSA-N 283.371 3.643 30 20 CHED CCc1ccc(CNc2cc(C#N)ccc2OC)s1 543712091 VHNVWPZNPBKSKL-UHFFFAOYSA-N 272.373 3.803 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2cc(C)ccc2n1 352769138 HHICWLPAEVPFAR-CQSZACIVSA-N 268.360 3.628 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cc(C)cc(C)c1)C1CC1 539008781 CHJXIPDJMDJKIV-CQSZACIVSA-N 272.392 3.724 30 20 CHED C[C@@H](CCC#N)CNCC1(c2ccc(Cl)cc2)CC1 602528150 BNHWJSQOYUTDNN-ZDUSSCGKSA-N 276.811 3.901 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)C[C@@H](C)c1ccccc1)OCC 535126139 RNJUCVCWMFXPAF-NVXWUHKLSA-N 289.419 3.620 30 20 CHED C=CC[C@H]1N(C(=O)Cc2ccc(O)cc2)CCCC1(C)C 443865004 DUDPCBLRVNAPHN-MRXNPFEDSA-N 287.403 3.528 30 20 CHED CC(C)Oc1cccc(OCc2ccc(C#N)cc2)c1 533676224 TWKBKHAAEZEKKT-UHFFFAOYSA-N 267.328 3.924 30 20 CHED COCc1ccc(SCCOc2cccc(C#N)c2)cc1 610480496 QOXXVIQFMNBRTN-UHFFFAOYSA-N 299.395 3.876 30 20 CHED C=CCOCCCSCc1nnc(-c2ccccc2)o1 359128932 VGPMVGOLVNGKOB-UHFFFAOYSA-N 290.388 3.563 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1ccsc1)c1cccc(C#N)c1 619759007 GCRINXRTELDNJS-NWDGAFQWSA-N 299.399 3.741 30 20 CHED Cc1cscc1-c1noc(CNc2ccc(C#N)cc2)n1 445635268 ROBJKXHSTGEGKB-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCCOc2ccccc21 352901239 LNCGHYDLXVHYMI-ZFWWWQNUSA-N 288.391 3.554 30 20 CHED C=CCN(C(=O)Nc1cc2[nH]ccc2cc1C)C1CC1 444986825 NTZLGQXYCIPBOQ-UHFFFAOYSA-N 269.348 3.659 30 20 CHED C=CCC[C@@H](NCCc1cscn1)c1ccco1 353623459 RFECEONNIHUGEM-CYBMUJFWSA-N 262.378 3.576 30 20 CHED C[C@@H](c1noc(-c2cc(C#N)cs2)n1)c1cccs1 357018118 LOBDZKKCJZUQRI-MRVPVSSYSA-N 287.369 3.883 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@H](C)C1 354098786 ZZHXFHHOWQLJTE-QWHCGFSZSA-N 285.391 3.755 30 20 CHED CC[C@@H](NCCOCc1ccccc1)c1ccc(C#N)cc1 447528790 IMCXMCLNQAWJQU-LJQANCHMSA-N 294.398 3.816 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc(-c2ccco2)s1 352508313 GDGKOTPYMUOGHM-UHFFFAOYSA-N 290.388 3.735 30 20 CHED N#Cc1cc2c(nc1Nc1ccc3c(c1)CCCN3)CCC2 261920523 HUSIMWAVHVGZGN-UHFFFAOYSA-N 290.370 3.544 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](c1ccco1)N(CC)CC 531706699 WKWFRPJQXAJTEV-XHSDSOJGSA-N 278.440 3.853 30 20 CHED C=C1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)CC1 267343807 DGBYJTMSBMVMML-SNVBAGLBSA-N 269.797 3.684 30 20 CHED C=C(C)CN(C)Cc1cccc(-c2ccncc2)c1 353166995 XQZZJCICRUXCLT-UHFFFAOYSA-N 252.361 3.757 30 20 CHED Cc1occc1-c1noc(C[C@H](CC#N)c2ccccc2)n1 350441896 VTMIMFRINZJFIL-AWEZNQCLSA-N 293.326 3.878 30 20 CHED C=CCCC1(C(=O)Nc2nc(CCC)cs2)CC1 356629624 VNLJTRUDXXSDLG-UHFFFAOYSA-N 264.394 3.781 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(-c2ccc(C)o2)s1 359061501 DJXFVHUCNPKUQG-VIFPVBQESA-N 261.346 3.621 30 20 CHED CC[C@H](CN[C@@H]1CC[C@@H](C#N)C1)Oc1cccc(Cl)c1 442844424 LREKEYQSGSBEFI-BPLDGKMQSA-N 292.810 3.779 30 20 CHED COCc1ccc(SCc2ccccc2C#N)cc1 610480725 RCDCFDOMFWBPTA-UHFFFAOYSA-N 269.369 3.997 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CSc2ccccc21 352475277 BWYJSYUDWOTCLD-ZDUSSCGKSA-N 275.417 3.594 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)NCC(C)(C)CC#N 459252823 CYGZMZSBTKUNSU-UONOGXRCSA-N 279.428 3.536 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)C[C@@H](C)CC 537266637 HTPFFOYLWPWUIF-UONOGXRCSA-N 254.418 3.809 30 20 CHED C=C(CC)CN1CCN(CC(=C)CC)[C@@H]([C@@H](C)CC)C1 539118500 KRKXENFMKAGSFD-ZWKOTPCHSA-N 278.484 3.951 30 20 CHED C=CCCC1(C(=O)Nc2ccccc2OCC)CC1 361436712 AYWFRVXBJNDUND-UHFFFAOYSA-N 259.349 3.770 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)[C@H](C)C1 455911549 FKTYQMWIDXJLBF-IOASZLSFSA-N 285.391 3.699 30 20 CHED C=CCn1c(S[C@@H](C)CCC)nnc1-c1ccncc1 267377537 YTQYHMUXXHOFDM-LBPRGKRZSA-N 288.420 3.807 30 20 CHED CCSCc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 267513461 JNVLJUJHUSACGH-AWEZNQCLSA-N 290.432 3.608 30 20 CHED CN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CCCCC1 618715387 DQTAAJMPFDEKGK-QGZVFWFLSA-N 297.402 3.520 30 20 CHED Cc1ccccc1[C@@H](NCC#N)C1CCC(C)CC1 611393764 VWRZUSSDPBIHCD-PGEKIEPBSA-N 256.393 3.976 30 20 CHED Cc1ccccc1CNCc1ccc(C#N)c(Cl)c1 619748270 FSNRRFFOICGDDZ-UHFFFAOYSA-N 270.763 3.810 30 20 CHED N#Cc1ccc(/C=C/c2nc(-c3ccccc3F)no2)cc1 612869792 MESKFJCLZRJXMQ-MDZDMXLPSA-N 291.285 3.918 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@H](C)c2cccc(C#N)c2)C1 610726196 JCDPLPCKGZIZHD-MCIONIFRSA-N 270.376 3.562 30 20 CHED C=CCC[C@H](NC(=O)NCC(C)(C)CC#N)c1ccccc1 458563538 DUNVHGRHUHHPPP-INIZCTEOSA-N 299.418 3.933 30 20 CHED C=C(Cl)CN[C@@H]1CCSc2ccc(OC)cc21 276149413 OTFFPOXMHJQAPG-GFCCVEGCSA-N 269.797 3.574 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 278201070 FZIAMKWCACDCBA-GHMZBOCLSA-N 281.808 3.706 30 20 CHED C#C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(C)C 700577596 UHSLDOHPPJBARP-CQSZACIVSA-N 298.213 3.700 30 20 CHED C=CCN(C(=O)[C@H](C)CCc1ccccc1F)C1CC1 271602354 YQJLTFPJRTUSLL-CYBMUJFWSA-N 275.367 3.571 30 20 CHED CCCOc1ccc(CN2CCC[C@](C)(C#N)C2)cc1 612163569 ULMNMKDIBYNEGL-QGZVFWFLSA-N 272.392 3.601 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@@H](C)C1CC1)c1ccccc1 270305887 XTEHLEVMSJLCRR-KBPBESRZSA-N 257.377 3.603 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 455526848 UFCNRPCISYRTHT-HNNXBMFYSA-N 274.408 3.972 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1ccc(Cl)cc1)C1CC1 278576926 RKNWDUOMJVLLON-UHFFFAOYSA-N 290.794 3.771 30 20 CHED C=CCC[C@@H](C)NC[C@H]1SCCc2ccccc21 542704773 ISLKVDSJBZVPJY-CZUORRHYSA-N 261.434 3.961 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1C[C@@H](C)c2ccccc21 453379262 YVLNQRBNCPYUCH-VZEFYGNVSA-N 257.377 3.558 30 20 CHED COc1ccc(C)cc1[C@H](C)NCCC(C)(C)C#N 272035713 PZLMYUIFCCPPOM-ZDUSSCGKSA-N 260.381 3.594 30 20 CHED C=CCCCCNC(=O)c1ccc(C)nc1C(C)C 450963426 RRGJCLSXGQQJHM-UHFFFAOYSA-N 260.381 3.600 30 20 CHED N#CC1(CSCc2cc(Cl)c3c(c2)OCO3)CC1 540615480 MVEQDDRGDHWCJW-UHFFFAOYSA-N 281.764 3.606 30 20 CHED C=CCC[C@H](CCC)N[C@@H](c1cnn(C)c1)C(F)(F)F 628274052 NHTSHKYQPMFDHP-STQMWFEESA-N 289.345 3.748 30 20 CHED C=CCCOCC(=O)N(C)C1CCC(C(C)(C)C)CC1 620185631 QYNYUJRXTONHSI-UHFFFAOYSA-N 281.440 3.642 30 20 CHED CCSc1ccccc1C(=O)N1CCC(CC#N)CC1 542909687 MSDMYCDNTZKFJI-UHFFFAOYSA-N 288.416 3.564 30 20 CHED C=CCCOCC(=O)N[C@@H](c1ccccc1)C(CC)CC 620329042 RHIHZQQKKWWRQN-GOSISDBHSA-N 289.419 3.873 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)c1c(F)cccc1F)OCC 270015687 HCMFLNXFMGWFLW-BXUZGUMPSA-N 297.345 3.513 30 20 CHED C=CCC[C@@H](NCc1c(C)noc1C)c1ccco1 276477506 RBACYZQXYLKLEZ-CQSZACIVSA-N 260.337 3.682 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)c1ccc(Br)cc1 276415243 PSNKCVOOCNJAGT-NSHDSACASA-N 296.208 3.587 30 20 CHED C=C(CC)CN(Cc1ccccc1OC)C[C@@H]1CCCO1 540194526 PTKZWGYXIAMFNL-KRWDZBQOSA-N 289.419 3.642 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCC/C=C\CC 467320290 WZUHAJXAONWYON-CKXPSTMWSA-N 269.454 3.889 30 20 CHED C=C[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)CC)c1ccccc1 274870185 YZIMALFIRJREAS-DOTOQJQBSA-N 299.414 3.707 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(Cl)cc1F 276326314 PSXKQQHBZUAFOD-UHFFFAOYSA-N 256.708 3.519 30 20 CHED C=C(C)CNC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 626519160 XGVONEIBKUNLRR-UHFFFAOYSA-N 293.672 3.545 30 20 CHED Cc1cc(C)cc(CCC(=O)N[C@@](C)(C#N)C(C)(C)C)c1 464169766 PRLRZFDPEMYHEN-SFHVURJKSA-N 286.419 3.681 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(c2cc(C#N)ccn2)C1 286334393 JHEFRPHAUVUEGX-BBRMVZONSA-N 263.344 3.541 30 20 CHED Cc1cn(Cc2ccn(-c3ccc(Cl)cc3)n2)cc1C#N 546632889 OUEFRRZIRWBFJB-UHFFFAOYSA-N 296.761 3.556 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H]1CCCn2cc(C)nc21 374575740 MZGRJYGLMJFFTG-JKSUJKDBSA-N 275.440 3.793 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 558059799 GGUJYJXYMUSFPA-OLZOCXBDSA-N 274.339 3.509 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)c1cc(C#N)ccc1Cl 552050903 YPVCLMVJXUIEOQ-QWRGUYRKSA-N 278.783 3.766 30 20 CHED CC#CCN(C)Cc1nc(-c2ccccc2Cl)cs1 559465973 VLGWDUTVOQYQSU-UHFFFAOYSA-N 290.819 3.919 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 465118890 GKULWUZIQAVAGF-LLVKDONJSA-N 297.320 3.818 30 20 CHED C=C(C)CN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 464775613 MSRSMSSXPFGASB-SFHVURJKSA-N 273.420 3.595 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CSc2ccccc21 468005462 PTVFNVJKXMMZKS-DOMZBBRYSA-N 261.390 3.552 30 20 CHED CCc1cccc(CC)c1NC(=O)c1ncc(C#N)cc1C 559145839 FFQXMXROEMERFI-UHFFFAOYSA-N 293.370 3.639 30 20 CHED CC#CCN(C)C(=O)c1sc(-c2ccccc2C)nc1C 558047215 DCWOWYHPCOJCCB-UHFFFAOYSA-N 298.411 3.522 30 20 CHED C#Cc1ccc(CNCc2ccccc2OC(C)C)cc1 809608224 KFZFAOCUPVPXRJ-UHFFFAOYSA-N 279.383 3.745 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(C)cc(C(F)(F)F)c1 806461502 JNOFAQMNZXYSGP-LLVKDONJSA-N 284.281 3.547 30 20 CHED N#Cc1cc(N2CCC[C@H](c3ccc(F)cc3)CC2)ccn1 553185181 SKOSKIRQCAPGMQ-AWEZNQCLSA-N 295.361 3.866 30 20 CHED C#Cc1ccc(CNCc2coc(-c3cccs3)n2)cc1 809610662 ZTKWLROZMSUHMW-UHFFFAOYSA-N 294.379 3.674 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(F)cc1OC(C)C 806401048 PYNMVVCTPYBLJI-CYBMUJFWSA-N 292.354 3.536 30 20 CHED C=CCCCCNC(=O)N(Cc1ccccc1)C1CC1 474078512 BGEYEGYKKLNLAF-UHFFFAOYSA-N 272.392 3.717 30 20 CHED C=CCCc1noc([C@@H]2C[C@]23CCc2ccccc23)n1 297199549 FWLSTMLZMPNELN-YOEHRIQHSA-N 266.344 3.560 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)c1ccc(F)cc1 801658045 UBBHUBFZYFNBLT-QWRGUYRKSA-N 253.342 3.549 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(COC(C)C)cc1 806230867 ZFNXARROMVMLMH-HNNXBMFYSA-N 288.391 3.535 30 20 CHED C=CCC[C@H](C(=O)NCC1CC(F)(F)C1)c1ccccc1 298242770 JEVSTKJFYJFWEH-HNNXBMFYSA-N 293.357 3.898 30 20 CHED C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccsc1 800889746 WNONSFDJKAXZTL-OLZOCXBDSA-N 286.400 3.890 30 20 CHED C=CCC1(c2nc(-c3cn(C)nc3C(C)C)no2)CCC1 292974856 IZPFBYSSLKPFTG-UHFFFAOYSA-N 286.379 3.591 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(C)cc1)C(C)(C)C 808314390 SKHKTTBRTKSXTB-HOCLYGCPSA-N 286.419 3.745 30 20 CHED C#C[C@@H](NC(=O)CCCc1cc(C)sc1C)C(C)(C)C 807879731 IKNBRHYSUKENQI-OAHLLOKOSA-N 291.460 3.852 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1ccccc1C#N)C2=O 809157810 VSXFTDCZJWAJOV-MDWZMJQESA-N 293.297 3.528 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H]2CCCC[C@@H]21 567931222 UKGNPPKIWJZZAB-HOTGVXAUSA-N 279.424 3.541 30 20 CHED N#Cc1cccc(COC(=O)[C@H]2CC3CCC2CC3)c1F 814492594 DKODUKOHJRBSFV-QOZQQMKHSA-N 287.334 3.567 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1cccc(CO)c1 814903240 ZIRFVDPDOKXIJE-UHFFFAOYSA-N 299.761 3.540 30 20 CHED C=CCCCCCCCNC(=O)N(C)C[C@H]1CCCCO1 811927334 POVIUKMWTLOTMV-MRXNPFEDSA-N 296.455 3.724 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(C)C1(C#N)CCC1 813130333 RKXFLOWTDFPEBH-CQSZACIVSA-N 264.413 3.888 30 20 CHED COc1cc(Cl)ccc1CN(CC#N)C1CCCC1 482685010 AMKLJIWCQWIWJK-UHFFFAOYSA-N 278.783 3.617 30 20 CHED CCCC(=NNc1ccc(C#N)cc1)c1cccnc1 814802838 ARBNUAGFACGPJA-UHFFFAOYSA-N 264.332 3.570 30 20 CHED C(=NNc1ncnc2sccc12)c1cc2ccccc2o1 812443799 RBWRSGSUTVQNBU-UHFFFAOYSA-N 294.339 3.884 30 20 CHED C=CC[C@H](C(=O)N1CC[C@](C)(CC)C1)c1ccccc1 489713457 ALVQXQLICXQJQC-WMZOPIPTSA-N 271.404 3.995 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N1CCCC(C)(C)[C@H]1C#N 577810963 UUZKAGKAOAZDOZ-DLBZAZTESA-N 298.430 3.796 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(Cl)cc1 811947939 SXMCHWIYEOEQKA-BXUZGUMPSA-N 277.795 3.813 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1noc(Cc2ccccc2)n1 578939426 ASVBQAJRLGDEAU-KGLIPLIRSA-N 285.391 3.666 30 20 CHED C=CCC1(NC(=O)CCC(C)(F)F)CCCCC1 654021689 HZAUSZSNDLOCCH-UHFFFAOYSA-N 259.340 3.817 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1ccc(C)cc1 489801511 OZNRFJFQJJUNRX-HNNXBMFYSA-N 273.420 3.892 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(O)c(C)c1 728225436 RZGMCDWOLIVVBD-UHFFFAOYSA-N 276.286 3.815 30 20 CHED CCCOc1c(Cl)cc(C=NOCC2CC2)cc1OC 814244486 WAHNUBDUTHMSHV-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C=CCC1(NCc2ccc(Cl)s2)CCOCC1 657633202 KEDCDZLPAAAOQI-UHFFFAOYSA-N 271.813 3.616 30 20 CHED Cc1cc(NN=C2CCOC2(C)C)ccc1Br 814816192 KAWKUHIOWJYKBJ-UHFFFAOYSA-N 297.196 3.724 30 20 CHED CCC[C@H](N=c1ccc(C#N)c(C)[nH]1)c1ccccc1 487930448 FVOVALYKMNCPBY-INIZCTEOSA-N 265.360 3.637 30 20 CHED C=C(C)Cn1c(N2CCCCCCC2)nnc1C(C)(C)C 812187435 UQHVJYFLPULFMO-UHFFFAOYSA-N 290.455 3.922 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2cc(C)ccc2o1 488875203 FTVPZBSQVGJSJH-CQSZACIVSA-N 269.344 3.922 30 20 CHED N#Cc1cccc(Cl)c1NCC[C@]1(O)C[C@H]2CC[C@H]1C2 488524811 CGJLXUFYWPEUBI-RBOXIYTFSA-N 290.794 3.565 30 20 CHED N#Cc1cc(F)ccc1CN1CCC[C@H]1c1ccc(O)cc1 728569824 PHNGHJCRJLYWAU-SFHVURJKSA-N 296.345 3.740 30 20 CHED N#CC1(CS[C@@H]2CCc3ccccc3C2)CCC1 578550845 QBCJGIIYHMFWIL-OAHLLOKOSA-N 257.402 3.971 30 20 CHED C[C@H](CCC(=O)N(C)CC(C)(C)C#N)c1ccccc1 497323216 WJQAQECBBXPMPT-CQSZACIVSA-N 272.392 3.578 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCCOC1CCCCC1)CC2 579533153 JYKNIUUDFNZXMD-LJQANCHMSA-N 298.430 3.875 30 20 CHED CC(C)(C)Oc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1C#N 824721746 IRMGVNJBNWSTOA-GXTWGEPZSA-N 283.375 3.840 30 20 CHED CCCN(C)C(=O)Nc1scc(C(C)(C)C)c1C#N 821481891 MOWOPULYGYJXET-UHFFFAOYSA-N 279.409 3.791 30 20 CHED C=CCCCNC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 824307277 FEEKUOGKVZQRTK-HUUCEWRRSA-N 296.455 3.578 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 820645824 BRNASZSGNPKYFU-KFWWJZLASA-N 288.391 3.564 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1cc(C#N)ccn1 581211822 MUXOGVXBPJDIKG-OCCSQVGLSA-N 257.381 3.604 30 20 CHED N#Cc1cccc(/C=C2/Oc3c(Cl)cccc3C2=O)c1 729149759 FYJSMFOPFHGLPL-RIYZIHGNSA-N 281.698 3.828 30 20 CHED C=C(CC)CNC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 825221625 UGWMZZBUANEOII-HUUCEWRRSA-N 296.455 3.578 30 20 CHED CSc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1 588523912 LKMLLPDJDZUPJJ-WAPJZHGLSA-N 273.332 3.839 30 20 CHED Cc1ccc([C@@H](NCC(C)(C)C#N)C2CCCC2)o1 903100215 KJUFXIWBTGJSSM-HNNXBMFYSA-N 260.381 3.959 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccccc2C2CC2)nn1 901524831 HZOIOJGTQONTOV-KTKRTIGZSA-N 281.359 3.633 30 20 CHED C=C(C)CNc1ccc(OC(F)F)cc1OC(F)F 733304152 KGIALPZPTNLRBA-UHFFFAOYSA-N 279.233 3.877 30 20 CHED C=CCCNC(=O)Nc1c(C)cc(C)cc1Cl 665193695 GFQZCIODMFTDIX-UHFFFAOYSA-N 252.745 3.654 30 20 CHED CCSc1nnc(SCc2ccc(C#N)s2)s1 583944759 VWFMVASBDBIVOR-UHFFFAOYSA-N 299.471 3.876 30 20 CHED C=CCCNC(=O)Nc1cc(C(C)C)nn1-c1ccccc1 667114501 FEHRKVAARZKERZ-UHFFFAOYSA-N 298.390 3.693 30 20 CHED FC(F)(F)c1cccc(NN=C2CCCCC2)n1 739421609 MQLGNEVPDUFKFZ-UHFFFAOYSA-N 257.259 3.832 30 20 CHED CC(=NNc1c(F)cccc1F)c1cc(C)ccc1O 735615835 YVJVHGWNJYZDJQ-UHFFFAOYSA-N 276.286 3.815 30 20 CHED C[C@@H]1C[C@H](C=NOC2CCC2)CCN1C(=O)OC(C)(C)C 496521197 ULFVGSILFWXPQG-CHWSQXEVSA-N 296.411 3.577 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccc(C#N)cc2)[C@H](C)C1 736033753 MSIBUJMKFWZMMN-LALPHHSUSA-N 257.333 3.540 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCc1c[nH]c2ccccc12 499489371 DRBPUSYLLIUJPB-SFHVURJKSA-N 297.402 3.545 30 20 CHED C#CCCCCCC=NNc1nnc(-c2ccccn2)s1 834972115 DFKRGYXVDDSSKR-UHFFFAOYSA-N 299.403 3.582 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2cccc(Cl)c2)C1 839049668 JWHUFPQVEZMOIF-JSGCOSHPSA-N 277.751 3.508 30 20 CHED CC(C)(C)c1nn(C[C@H]2C[C@H]3C=C[C@@H]2C3)c(O)c1CCC#N 902286186 JWSIFCPUPHNPEG-BFHYXJOUSA-N 299.418 3.555 30 20 CHED CC(C)(C)C#CC(=O)N1CCC(=Cc2cccc(F)c2)CC1 837348465 GPSXGRUHHFPKTO-UHFFFAOYSA-N 299.389 3.881 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C=C3CCCC3)[nH]c12 735788242 CAXSMKFOSHDHPL-CYBMUJFWSA-N 279.343 3.548 30 20 CHED C#CC1CCN([C@@H](C)c2ccc(OC(F)F)cc2)CC1 830321458 MKDUEOUQMUMURI-LBPRGKRZSA-N 279.330 3.694 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(-c2ccccc2Cl)o1 733883685 YGKRHLGOQKTCSB-UHFFFAOYSA-N 287.746 3.742 30 20 CHED CCC#C[C@H](C)N[C@@H](C)c1ccc(SCCOC)cc1 678765267 IQQOTZGYGDNJQR-GJZGRUSLSA-N 291.460 3.878 30 20 CHED C[C@@H]1CCCC(=NNCc2ccc(F)c(F)c2)C1 915975055 NRJZNQBESDLERF-SNVBAGLBSA-N 252.308 3.621 30 20 CHED C=CCCCOC(=O)c1c(COC)nc2ccccc2c1C 735525222 CHMVNCAAWPEEQP-UHFFFAOYSA-N 299.370 3.813 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1c(F)cccc1Cl 837450656 ACICTLOWRASQTE-SNVBAGLBSA-N 281.758 3.706 30 20 CHED Cc1ccc(SCC(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 839044661 TTXPIHFVOPLWFI-KBPBESRZSA-N 289.400 3.713 30 20 CHED CCC(=NNc1ncccc1Cl)c1ccc(O)cc1 917549381 NIDOSJUCTVCLRL-UHFFFAOYSA-N 275.739 3.667 30 20 CHED C=CCN(C(=O)Nc1csc(-c2ccccc2)n1)C1CC1 672827798 GSTRWZFDDPZUOJ-UHFFFAOYSA-N 299.399 3.992 30 20 CHED CC[C@H](C)[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)OC 590779080 DELBKAGNCZZNBM-MORSLUCNSA-N 286.419 3.586 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(F)(F)CC=C 839891970 SKCXPPHDRMNASE-AWEZNQCLSA-N 279.330 3.501 30 20 CHED CCCCCCCCC(=O)NCCN1CCC[C@@H](C)C1 915628027 UNNBRVPCWSIHJN-MRXNPFEDSA-N 282.472 3.585 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 590673092 OHSRLIVTHSNGEB-XPKDYRNWSA-N 270.376 3.562 30 20 CHED C=CCCOC(=O)c1cc(Cl)cc2cccnc12 745017026 CWEYQVWEOORGFQ-UHFFFAOYSA-N 261.708 3.621 30 20 CHED Cn1cccc1[C@@H]1CCCCN1CCc1ccc(C#N)cc1 595334943 BRUPDYIMSAWFCX-IBGZPJMESA-N 293.414 3.666 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2ccncc2)cc1 916136722 XZOWPIXHDOARCI-YVMONPNESA-N 267.328 3.767 30 20 CHED C=CCNC(=S)N[C@@H](CC(C)(C)C)c1ccccc1 916000477 DVWITUKURSSVDR-AWEZNQCLSA-N 276.449 3.814 30 20 CHED C=C(C)COC(=O)c1ccc(Br)cc1Cl 917322886 CCQSBQWGBVSZHR-UHFFFAOYSA-N 289.556 3.835 30 20 CHED CCOc1ccc(Cl)c(NCC2(CC#N)CC2)c1 594704782 MXNLTAKJKVURSG-UHFFFAOYSA-N 264.756 3.844 30 20 CHED C[C@@H]1CC[C@H](C/N=C\c2cc(Cl)cc(Cl)c2O)O1 840708361 ALMTXJSWAFRNJP-CVATZNRUSA-N 288.174 3.685 30 20 CHED CC(C)CN(C/C=C\Cl)Cc1ccc(C#N)cc1 746660487 WSMYASIOUPGBIB-BAQGIRSFSA-N 262.784 3.769 30 20 CHED CCCN(C(=O)[C@H]1C[C@@H]1C)c1cc(Cl)ccc1C#N 598812339 VJVWFFDPFCFVPD-GWCFXTLKSA-N 276.767 3.611 30 20 CHED O=C(C#Cc1ccccc1)NCc1csc2ccccc12 747358518 PXURMRJPKMRHNG-UHFFFAOYSA-N 291.375 3.569 30 20 CHED C=C(C)CCOC(=O)c1cnc(-c2ccccc2)s1 744305047 MHQPJAHPZCWPNY-UHFFFAOYSA-N 273.357 3.933 30 20 CHED COCCON=C1CCCC[C@@H]1c1ccc(OC)c(F)c1 748791662 NYSAIELDLOWAET-CYBMUJFWSA-N 295.354 3.511 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(C3CC3)c2)C1 847082648 VWYUOELNWGTHCA-BLLLJJGKSA-N 269.344 3.803 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 679526877 XROGIRYXLMXQKV-YPMHNXCESA-N 289.341 3.944 30 20 CHED CCc1c(NCC2(CC#N)CC2)cnn1-c1cccc(C)c1 594708451 XOVHGGFXKDCRSW-UHFFFAOYSA-N 294.402 3.849 30 20 CHED CC[C@H](c1ccncc1)N(C)C(=O)CC1(C#N)CCCCC1 597278159 LMZGLAINCLYAKV-MRXNPFEDSA-N 299.418 3.855 30 20 CHED C[C@H]1CC(=NNc2ccc(F)cn2)c2ccsc2S1 743442316 VDHGNGAKFVKZIT-QMMMGPOBSA-N 293.392 3.983 30 20 CHED C/C(C=NNCc1ccccc1)=C/c1ccccc1 916344407 VJUZTSOMEKDHLH-RSYUTVAESA-N 250.345 3.866 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccc(COC)cc2)c1 914773546 NFUZZJPJJUPGEH-UNOMPAQXSA-N 299.370 3.556 30 20 CHED N#CCC1(COC(=O)c2nc(-c3ccccc3)cs2)CC1 849687936 YCIBYPZEQYYODV-UHFFFAOYSA-N 298.367 3.661 30 20 CHED C[C@@H](CC(=O)O[C@H](C)C#N)c1ccccc1C(F)(F)F 745222857 NFIXTZHSYYMTEY-VHSXEESVSA-N 285.265 3.654 30 20 CHED Cc1cccc([C@H](C)C/N=C\c2ccccc2O)c1 741165512 NDLCEZNTKPUVDN-IIMQCXAKSA-N 253.345 3.923 30 20 CHED Cc1cccc(C)c1NC(=S)N1CCC[C@@H](CC#N)C1 849271219 CZDPKRYUWWPRAR-AWEZNQCLSA-N 287.432 3.626 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc(C#N)cc2)o1 915961278 DDPZYTTZNXEINI-ABAIWWIYSA-N 265.316 3.721 30 20 CHED CC1(C)C(=NNc2cccc3cnccc23)[C@H]2CCCO[C@@H]21 743438763 QMEUJLZRXWFPTO-PBHICJAKSA-N 295.386 3.838 30 20 CHED CC#CCOC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 747025067 LGRTUKRPJUKKRG-SECBINFHSA-N 271.143 3.663 30 20 CHED CCCCCC[C@@H](C)NN=C(C)c1nccs1 743450185 HFIYSRJMUGLZBO-LLVKDONJSA-N 253.415 3.816 30 20 CHED CCCCC[C@H](C)CC(=O)N(CC)C[C@@H](C)C#N 742548578 LNFVHFAYHIWNNT-KBPBESRZSA-N 252.402 3.601 30 20 CHED C=CC[C@H](NC(=O)N(C1CCCC1)C1CC1)c1ccncc1 746765001 DHBJTZCBPFIGAM-KRWDZBQOSA-N 299.418 3.815 30 20 CHED Cc1ccoc1C=NNc1cccc2c1CCCC2 743437169 CSOOSVYYKPUGLU-UHFFFAOYSA-N 254.333 3.913 30 20 CHED C=CCCCCCN(C)CN1C[C@H](CC(C)C)CC1=O 744433423 BQNFBCSSTKKAEM-MRXNPFEDSA-N 280.456 3.517 30 20 CHED C[C@H](CC(C)(C)C#N)NCCC(C)(C)C(=O)OC(C)(C)C 926619018 WMIDGBLCLJXTBV-CYBMUJFWSA-N 296.455 3.662 30 20 CHED COc1cc(C)ccc1C(C)=NNc1cccc(F)c1 920385991 MMWBLPARHUYRIP-UHFFFAOYSA-N 272.323 3.979 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1Nc1nc(Cl)c(C#N)s1 845644856 BRLXICODXHQCSM-WDEREUQCSA-N 289.791 3.945 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(C#N)cc1 921107001 FTBMZMWWBDQNAI-CYBMUJFWSA-N 297.329 3.619 30 20 CHED CC(F)(F)C/N=C/c1cc(Cl)cc(Cl)c1O 840706911 QAJIAVCQPGACBW-SYZQJQIISA-N 268.090 3.773 30 20 CHED Cc1ccc(CNN=C2CCC(F)(F)CC2)cc1 842536415 SBJROTDYNSJARY-UHFFFAOYSA-N 252.308 3.650 30 20 CHED CC(C)Cn1nccc1/C=C1\CCc2sccc2C1=O 843267607 BFVPUMGKDQGGJV-FMIVXFBMSA-N 286.400 3.813 30 20 CHED C(=NNc1ccccc1)[C@H]1CCOc2ccccc21 752157680 OASCFFWHOIOCOO-CYBMUJFWSA-N 252.317 3.651 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C1\CC[C@@H](C)C1 753624677 LRZUIJHWAVTOFH-GMCKNXKJSA-N 287.334 3.523 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)C1CCCC1 750678418 LPNULHWGDIMPAI-GXTWGEPZSA-N 295.386 3.576 30 20 CHED COc1cccc(/C=N/C[C@@H]2CCC[C@@H](C)C2)c1O 920175539 WYAUSKUTGGAMAJ-MDDWGPDPSA-N 261.365 3.646 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCS[C@H](c2ccccc2)C1 682380806 MFNIVJMFTKCTEH-RDJZCZTQSA-N 289.444 3.905 30 20 CHED C=C[C@H](CC(=O)OCC(=O)CC(C)C)c1ccccc1 758913600 KJXSHRNKMYGKFV-CQSZACIVSA-N 274.360 3.505 30 20 CHED CCC(CC)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 759556942 VUVWMEOVGLRWFB-ZDUSSCGKSA-N 283.375 3.874 30 20 CHED FC(F)(F)[C@@H]1CCC[C@H](C=NO[C@H]2CCCCO2)C1 853326179 UWYYGUIPKYMISK-TUAOUCFPSA-N 279.302 3.884 30 20 CHED Cc1cc(C=NN2CCCC[C@@H]2C)cc2cccnc12 853380899 XTVJHQXXQWQKOP-AWEZNQCLSA-N 267.376 3.752 30 20 CHED C=C[C@@H](OC(=O)[C@H](C)C(C)(F)F)c1ccccc1 851452288 QIWAGVZFCAHUBF-CMPLNLGQSA-N 254.276 3.748 30 20 CHED CC[C@H](C)N(CC)C(=O)Nc1cc(C)cc(C#N)c1 931700176 FDGQHHOGTWEBQC-LBPRGKRZSA-N 259.353 3.519 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C)c(C)c2O)c1 769762542 JWJQEAWKEHWSCO-UHFFFAOYSA-N 293.366 3.657 30 20 CHED CC(C)c1nocc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 860229550 KAOVQHUOGDMIJU-NSHDSACASA-N 284.315 3.588 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 933860160 KXORNWMEZPDATP-NXHRZFHOSA-N 296.414 3.887 30 20 CHED CC(=NNc1ncccc1Cl)c1ccccc1N(C)C 769571107 YNCNRVYUMQXAPH-UHFFFAOYSA-N 288.782 3.637 30 20 CHED Cc1ccc(CON=Cc2ccc(F)cc2)cc1C 762189141 HFJFZZHBJOQDNN-UHFFFAOYSA-N 257.308 3.993 30 20 CHED Cc1c(C(=O)/C=C/c2ccncc2Cl)cnn1C(C)C 863188396 DNXGVTVTKPONKT-SNAWJCMRSA-N 289.766 3.717 30 20 CHED C#CCCCCCc1nc(-c2ccccc2F)no1 761438175 YAXXNYYLXNACAJ-UHFFFAOYSA-N 258.296 3.612 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 935698976 TWHUXWYMBILJIJ-AEGPPILISA-N 291.341 3.635 30 20 CHED C#CCCc1noc(-c2cc3c(ccc4ccccc43)[nH]2)n1 762013755 HNWSCRSHROXSPF-UHFFFAOYSA-N 287.322 3.937 30 20 CHED C=C(Cl)CSCc1nccn1-c1ccccc1 766053371 SMYSZYMAKPBVNL-UHFFFAOYSA-N 264.781 3.858 30 20 CHED FC(F)(F)c1ccccc1NN=CC[C@@H]1CCOC1 765542157 HBQKXQUZLRIMPR-SNVBAGLBSA-N 272.270 3.530 30 20 CHED C=CCCC(=O)COC(=O)C1(CC(C)C)CCCC1 761416008 GHACVILFOZVUDL-UHFFFAOYSA-N 266.381 3.671 30 20 CHED CCSc1ccc(C(=O)Oc2ccc(C#N)c(C)c2)cn1 765095880 ZISGCEGYKKLNJH-UHFFFAOYSA-N 298.367 3.593 30 20 CHED CCc1noc(C)c1C(C)=NNCc1cccc(Cl)c1 769820976 RDZJWGXVRFFERZ-UHFFFAOYSA-N 291.782 3.713 30 20 CHED COc1ccsc1C=NNc1ccc2ccccc2n1 764656871 CETCTPYYEJKNCC-UHFFFAOYSA-N 283.356 3.751 30 20 CHED CCCCCCCNC(=O)c1cnc([C@H]2CCCO2)s1 862358194 XQXRREFSLFILNE-GFCCVEGCSA-N 296.436 3.695 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1ccc(Cl)cn1 879655686 ZHWHIJSQCHYFMI-SNVBAGLBSA-N 266.772 3.515 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cnc(C)s1 761254832 SQNFLASKZIQOSD-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C=CCC1(C(=O)Nc2cc(C#N)c(F)cc2F)CCC1 876350952 UKWYYKNBDXXOCV-UHFFFAOYSA-N 276.286 3.521 30 20 CHED COc1cccc(NN=Cc2ccccc2C(F)(F)F)n1 779817635 LFCVMWQHVZCFBY-UHFFFAOYSA-N 295.264 3.555 30 20 CHED CC1(C)CCC[C@H]1C(=O)OCc1cc(C#N)ccc1F 772608121 LDOXELARDHWXFN-ZDUSSCGKSA-N 275.323 3.567 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccc(C)c(C)c1O 773092983 HWGVQLAYQFVMNH-UHFFFAOYSA-N 298.390 3.759 30 20 CHED Cn1cc(C=NN[C@H]2CCCCC2(C)C)c(C(C)(C)C)n1 773126911 WUTYKQJZNVIBNS-AWEZNQCLSA-N 290.455 3.610 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cccc(F)c2)c(F)c1 772801502 GVHIANNVRFDHTL-VOTSOKGWSA-N 269.250 3.733 30 20 CHED C=CCCCC(=O)NCC(=O)c1cc2ccccc2s1 871501214 IOOCIEXHXRKAJC-UHFFFAOYSA-N 287.384 3.557 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](Nc2cc(C#N)ncn2)CC1 1458323586 SFBGYCOHVGUSKF-STQMWFEESA-N 272.396 3.755 30 20 CHED Oc1cccc(C=NNc2ccccc2OC(F)(F)F)c1 777453364 ONDFHSBXOKHWMT-UHFFFAOYSA-N 296.248 3.737 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@H]2CCCC[C@H]2C1 1117701682 XKTOBEPMBKDXDB-CABCVRRESA-N 278.440 3.810 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)N(C)CCC 772340880 JACXOYPTINCNCQ-UHFFFAOYSA-N 286.828 3.851 30 20 CHED CCC[C@H](CC)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 873495285 IEWFPDNBUUQCLV-QWHCGFSZSA-N 283.375 3.576 30 20 CHED Fc1cc(C=NOCCC(F)(F)F)ccc1Cl 777460877 ZCUHKAAYPCPKOH-UHFFFAOYSA-N 269.625 3.782 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc([N+](=O)[O-])cc1F)C2=O 777916885 RZKJXCORYWLBSI-KPKJPENVSA-N 297.285 3.865 30 20 CHED Cc1ccsc1CC/N=C/c1cc2ccccc2nc1O 773152209 RKOLYVKKHRIITF-WOJGMQOQSA-N 296.395 3.972 30 20 CHED O=C(C=NO[C@@H]1CCCc2ccccc21)Nc1ccccc1 775676942 CCRURBIQJGLGMR-QGZVFWFLSA-N 294.354 3.705 30 20 CHED N#Cc1ccc(C=NNc2nc3ccccc3s2)c(F)c1 772832268 ZUNYBHPGKIAGOV-UHFFFAOYSA-N 296.330 3.753 30 20 CHED C[C@H](Oc1ccccc1Cl)C(=O)OCCC(C)(C)C#N 776372534 NRFSVLMBYHBOPI-NSHDSACASA-N 295.766 3.590 30 20 CHED C=CCCCCCNc1ccc(F)cc1OCC#N 783210749 NKISDVODHBJVPE-UHFFFAOYSA-N 262.328 3.886 30 20 CHED C#CCOc1ccccc1NC(=O)c1csc(Cl)c1 787300986 AOHHMVFFEFMODB-UHFFFAOYSA-N 291.759 3.666 30 20 CHED c1ccc(CCCNN=C2CCC23CCCC3)cc1 788713956 NHDVVOPMXSVCTD-UHFFFAOYSA-N 256.393 3.919 30 20 CHED C=CCC(CC=C)C(=O)OCc1ncc(CC)s1 784184490 UIOOCLKDHPIFKK-UHFFFAOYSA-N 265.378 3.517 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2F)C1 888354100 QNCRBEGMXGBKFO-YPMHNXCESA-N 289.354 3.740 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)O[C@@H](C)C#N)c1C 781420486 ABFVENVDSHGXLX-JTQLQIEISA-N 269.300 3.632 30 20 CHED N#CCc1ccc(CON=Cc2ccc(Cl)cc2)cc1 784046360 RSKAQHQLMWUKPG-UHFFFAOYSA-N 284.746 3.957 30 20 CHED C=CCSCCNCc1ccc(Br)s1 163894287 QPRGRMBPTMHNFW-UHFFFAOYSA-N 292.267 3.519 30 20 CHED OC[C@@H](NN=C1CCC[C@@H]1c1ccccc1)c1ccccc1 788469860 SMRPCBOJTRDPGZ-IEBWSBKVSA-N 294.398 3.633 30 20 CHED Cc1cc(F)ncc1CN(C)[C@H](C)c1cccc(C#N)c1 895018424 PENXIPDHYSDCJF-CYBMUJFWSA-N 283.350 3.594 30 20 CHED C=C(C)CCOC(=O)c1cc2sc(N(C)C)nc2s1 780391508 AWMHWRVQYFNUKY-UHFFFAOYSA-N 296.417 3.547 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1cccc(C)c1 782483718 SBBGPEOMHACOIU-RHSMWYFYSA-N 276.376 3.828 30 20 CHED CCCCS[C@@H](C)C(=O)O[C@@H](C#N)C1CCCCC1 785755155 SLTRGDRTVJGFFY-JSGCOSHPSA-N 283.437 3.924 30 20 CHED C=CCC[C@@H](C(=O)NC/C=C\Cl)c1ccccc1 891205082 PCCZFGDOZFWFQH-SMJHDNPOSA-N 263.768 3.605 30 20 CHED N#Cc1ccc(C=NNCc2c(Cl)cccc2Cl)o1 793115744 UACWFPJOIFZSGD-UHFFFAOYSA-N 294.141 3.582 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(F)cc1F 796463860 VYQXTWXHIBGQLT-UHFFFAOYSA-N 254.276 3.610 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C2CC2)sc2ccc(C#N)cc12 796941665 CURHQONNGFFGIO-CYBMUJFWSA-N 296.351 3.540 30 20 CHED C=C[C@H](OC(=O)c1cccc(NC(=O)OC)c1)C(C)(C)C 798903133 ROXIVICMJWSMBS-ZDUSSCGKSA-N 291.347 3.622 30 20 CHED COc1ccc([C@@H](C)C(C)=NOCCSC)cc1 794574119 WFFHYAYBBNMWFL-NSHDSACASA-N 267.394 3.554 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C1(F)CCCC1 791865477 QYQHKYFFESRZEQ-UHFFFAOYSA-N 275.367 3.874 30 20 CHED C=CCC[C@@H](C(=O)O[C@@H](C)C(=O)C1CC1)c1ccccc1 798653301 IEWVWJWQEJHBDE-XJKSGUPXSA-N 286.371 3.647 30 20 CHED CCO[C@H]1CC(=NNc2ncccc2C)C12CCCC2 790188454 ZEAPQQXNRXTMCH-AWEZNQCLSA-N 273.380 3.527 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccccc1Cl 799863827 CNHDPBAMSRYXGX-NSHDSACASA-N 266.772 3.945 30 20 CHED C=CCCCOc1cccc2c1[C@H](O)CC(C)(C)O2 798221413 XFCQBEOWZRJYGR-GFCCVEGCSA-N 262.349 3.626 30 20 CHED CC[C@H](C)NN=Cc1cn(-c2ccc(Cl)cc2)nc1C 790189815 QVSSIZNUGPHUHO-NSHDSACASA-N 290.798 3.556 30 20 CHED Fc1ccc(/C=C/C=NO[C@@H]2CCCCO2)cc1F 794923365 OVAWYKSHQLWPLY-URWLYLQASA-N 267.275 3.507 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1ccsc1 790308607 IYNNXYCLIPQRAQ-UHFFFAOYSA-N 279.296 3.632 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CC(F)(F)C2)s1 797571860 WGRFQZSYGYEEMX-SECBINFHSA-N 298.358 3.662 30 20 CHED Cc1nc(-c2ccc(Cl)cc2Cl)nc(C#N)c1C 1898208396 UKBYMGVFDZHCEG-UHFFFAOYSA-N 278.142 3.939 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 1310871502 AKKQWIOATPBZSH-CQSZACIVSA-N 285.391 3.911 30 20 CHED CC(C)(CCC#N)CNCc1cscc1Cl 390286848 XGDDQNDDUCFGCA-UHFFFAOYSA-N 256.802 3.821 30 20 CHED N#Cc1ccc(-c2nnc(/C=C/C3CCCC3)o2)cc1 1327867273 WPOVKDZZRSDWPK-JXMROGBWSA-N 265.316 3.812 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(Cl)cc2)c1 103028798 ODEYYQLMEJLDMC-UHFFFAOYSA-N 283.758 3.988 30 20 CHED CC(C)n1ncnc1CSCCCCC(C)(C)C#N 1324868176 ASQLIMRVJDDLCA-UHFFFAOYSA-N 280.441 3.812 30 20 CHED N#Cc1nc(NCCc2cccc(F)c2F)sc1Cl 1185345860 DRGPPPREQARALT-UHFFFAOYSA-N 299.733 3.601 30 20 CHED N#Cc1cc(Cl)cc(OCc2ncccc2Cl)c1 707357085 FSPVIIZHDLNWRG-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C[C@H](Nc1nc(C#N)c(Cl)s1)c1ccc(Cl)cn1 1186315805 KDTPUPQVJCTNQJ-LURJTMIESA-N 299.186 3.890 30 20 CHED CCCCN(Cc1ccc(C#N)cc1)CC(F)(F)F 69072430 WCRVHYJOCXWNEW-UHFFFAOYSA-N 270.298 3.723 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1cc(C#N)ncn1 1185149922 WLVFOQIVQIURRA-GXTWGEPZSA-N 272.396 3.613 30 20 CHED C=CCCCOC(=O)c1ccc(COC(C)C)cc1 735533732 YBCRVFAOBZCPNP-UHFFFAOYSA-N 262.349 3.735 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCc2ncc(C3CC3)o2)n1 1331268637 ADCJSYSVNPMYOI-UHFFFAOYSA-N 297.358 3.695 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C)c1nc(C)cs1 1336761185 XYIDTGOPJZDBJQ-STQMWFEESA-N 278.421 3.512 30 20 CHED N#Cc1csc(CNc2ccc3c(c2)OC(F)(F)O3)c1 93685038 BMHKTKNMVWTUQE-UHFFFAOYSA-N 294.282 3.553 30 20 CHED C[C@@]1(CNc2ccc(C#N)c(C(F)(F)F)c2)CCCO1 94802855 JHBLIQJIBDATNK-ZDUSSCGKSA-N 284.281 3.558 30 20 CHED C=C(C)CCC(=O)Nc1c(C)cccc1OC(F)F 1336323326 BKDREMIOYJXUSN-UHFFFAOYSA-N 269.291 3.891 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N(C)[C@@H](C)c1ccco1 1263309584 OAFZKVVEMXYWAF-JTQLQIEISA-N 296.321 3.582 30 20 CHED CC(=NOC1CCCCC1)c1c(C)nc2sccn12 1343030449 GDCRDSLWBGRBFL-UHFFFAOYSA-N 277.393 3.778 30 20 CHED Cc1cccc(CN(C)CCOc2ccccc2C#N)c1C 1194615971 MUZYMDGCWXQSME-UHFFFAOYSA-N 294.398 3.686 30 20 CHED Cc1ncccc1CSCc1ccc(C#N)cc1 1343588462 UIBADLDNXSYSBI-UHFFFAOYSA-N 254.358 3.695 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1OCC(F)(F)F 1262583419 XJYYKEAPWHVTLV-UHFFFAOYSA-N 287.281 3.923 30 20 CHED N#Cc1ccc(COC(=O)c2ccccc2OC2CC2)s1 1346541608 WWEAZHAZJHNWNU-UHFFFAOYSA-N 299.351 3.518 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C#N)cc1F 1354853681 WHJNQNBDCJFXJP-MLGOLLRUSA-N 288.366 3.738 30 20 CHED C=C(C)CCC(=O)Nc1c(F)cccc1NC(C)C 1358352660 DHUPVSNDNZIKAA-UHFFFAOYSA-N 264.344 3.941 30 20 CHED N#CC[C@H](C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccccc1 1353523826 WCRDVTNWLLQWJT-DDBAPUKQSA-N 296.414 3.769 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)c1csc(C#N)c1 1353566162 NFVYIXWTXJKDHV-RYUDHWBXSA-N 276.405 3.566 30 20 CHED N#Cc1c(F)cccc1N1CC2(CCC2)[C@@H]1c1cccnc1 1515990958 VBYMOEYAGAZYQL-KRWDZBQOSA-N 293.345 3.824 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(-c3cnco3)cc2)cs1 1516846685 HKRJQQIHBZLIAP-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC(C)C[C@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1524157186 NCKPDDXWSQVFEH-NVXWUHKLSA-N 284.403 3.578 30 20 CHED CCCN(C(=O)c1cccc(C#N)c1)c1ccccc1F 1532187929 PFDVGMFLNWQXLM-UHFFFAOYSA-N 282.318 3.754 30 20 CHED Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C 1530862791 UGVMONYWKAHIDP-ZENOOKHLSA-N 284.403 3.669 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc(C#N)c(F)cc1F 1477014739 FMSONPKYJVDCPC-NXEZZACHSA-N 295.333 3.783 30 20 CHED Cc1cc(N2CCC[C@H](C(C)(C)C)CC2)ncc1C#N 1611983833 XVRWXSKEANRJPV-HNNXBMFYSA-N 271.408 3.914 30 20 CHED CC(C)CN(C[C@H](O)c1cccc(C#N)c1)CC(C)(C)C 1559651745 RZFKBIHOPUNNHW-KRWDZBQOSA-N 288.435 3.596 30 20 CHED Cc1ccc([C@@H]2CCN(c3cc(C)ncc3C#N)C2)c(C)c1 1559183947 OQGRSRQMXPWBMR-MRXNPFEDSA-N 291.398 3.872 30 20 CHED CC(C)C(C)(C)CNc1nc(C#N)c(Cl)s1 1559168373 SRWAFWVYNPLHEE-UHFFFAOYSA-N 257.790 3.762 30 20 CHED CCCN(CCc1cccc(F)c1)c1ccc(C#N)c(C)n1 1559102087 GBRJEZRPXPLQDZ-UHFFFAOYSA-N 297.377 3.860 30 20 CHED N#Cc1c[nH]ccc1=NC[C@@H]1CCCC[C@H]1c1ccccc1 1642692848 FJTZEAIVLNAYON-WMZOPIPTSA-N 291.398 3.761 30 20 CHED CC1(C)CC=C(C(=O)N2CCc3cc(C#N)ccc32)CC1 1570258454 QTSIODMVPLJBJE-UHFFFAOYSA-N 280.371 3.584 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H]1c1ccc(F)cc1 1641050180 UEGQCBNXBDQKAG-KRWDZBQOSA-N 294.329 3.593 30 20 CHED C=CCN(C(=O)c1ccc(C)c(C(=O)O)c1)c1ccccc1 1588820830 VGJPYYWHFQFZIK-UHFFFAOYSA-N 295.338 3.526 30 20 CHED Cc1cc(C#N)nc(N2C[C@H](C(C)(C)C)c3ccccc32)n1 1651800677 BQDVGRRYJLHAMU-HNNXBMFYSA-N 292.386 3.938 30 20 CHED C=CCCCCCN(C)[C@@H](C(=O)O)c1ccccc1C 1588799946 RHTZXVQYCOFJLT-MRXNPFEDSA-N 275.392 3.799 30 20 CHED Cc1cc(CN2CC[C@@H](Oc3ccccc3)C2)ccc1C#N 1660316060 IMXRLFLGPHQVOB-LJQANCHMSA-N 292.382 3.520 30 20 CHED C[C@H]1CC[C@@H](C)CC1=NNc1ccc(C(=O)O)c(F)c1 1776075619 UACBUTNWBWBTRS-ZJUUUORDSA-N 278.327 3.748 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2sccc2Cl)C1 1776156305 SYFZZHIMONFUSI-CQSZACIVSA-N 299.823 3.644 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc(F)c(C(=O)O)c1 1776062977 URXLCBSPGQMLAA-SECBINFHSA-N 278.327 3.748 30 20 CHED CC(C)=CCC[C@H](C)CC=NNc1ccc(C(=O)O)nc1 1776068760 XFHRXGHVIAPRGX-ZDUSSCGKSA-N 289.379 3.950 30 20 CHED C=C(C)CNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 161036328 YXUNKGAUZRPIBX-NSHDSACASA-N 285.309 3.576 30 20 CHED CCCCN(C)C(=O)CS[C@H](C)c1ccc(C#N)cc1 156249383 IBHVXBBGDOFTLE-CYBMUJFWSA-N 290.432 3.611 30 20 CHED O=C(/C=C/c1ccccc1)c1cnn(Cc2ccccc2)c1 157347686 KLXCMLLZIBBUKT-VAWYXSNFSA-N 288.350 3.828 30 20 CHED C=CCCCCCN(C)C(=O)c1csc(C2CC2)n1 156843768 ZPHUPSBXSOAVBD-UHFFFAOYSA-N 278.421 3.839 30 20 CHED CC(C)[C@@H]1CCC[C@H]1NCc1ccc(C#N)c(F)c1 1659457851 IPDFBSVAMJNQKT-GOEBONIOSA-N 260.356 3.612 30 20 CHED COc1cccc(Cl)c1CNc1cccc(C#N)c1 163061617 XIJSAYFYDDSHSV-UHFFFAOYSA-N 272.735 3.832 30 20 CHED N#Cc1ccc(OCC2CC(F)(F)C2)c(Cl)c1 295765621 PIFXZLAISDVZRK-UHFFFAOYSA-N 257.667 3.636 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1nccc(C#N)c1Cl 300646568 GQFZGHOWXPSRRI-GHMZBOCLSA-N 281.812 3.693 30 20 CHED C=CCN(Cc1ccccc1)c1c(F)c(F)nc(F)c1F 302075633 WCFUCYMFIWFITM-UHFFFAOYSA-N 296.267 3.831 30 20 CHED Cc1nc(C#N)cc(Nc2cccc3ccsc23)n1 308377950 OUEYNHRXGMGBGD-UHFFFAOYSA-N 266.329 3.615 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1cc(Cl)sc1Cl 309437061 HONXCTUWKCOJOV-JGVFFNPUSA-N 280.220 3.907 30 20 CHED Cc1ccc(CCC(=O)N(CCC#N)C(C)C)cc1Cl 608813612 IGNNCFJLQUSCCJ-UHFFFAOYSA-N 292.810 3.732 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1 320768677 PORAJOGPEXVDMU-ZYHUDNBSSA-N 288.218 3.971 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cscn1 536628029 SLZSPTGEAQDZTQ-LBPRGKRZSA-N 274.389 3.559 30 20 CHED C=CCOCCN[C@H](c1ccccc1)C1CCCC1 549526824 ABXLSOVMTYXZOG-QGZVFWFLSA-N 259.393 3.710 30 20 CHED Cc1cc(C#N)ccc1Oc1nccc(C#N)c1Cl 553046947 FNBMWGLCASNBHC-UHFFFAOYSA-N 269.691 3.579 30 20 CHED C=CCCC[C@@H](C)NCc1cnc(C(C)(C)C)nc1 342787109 ZPBLTSJTZNYJCS-CYBMUJFWSA-N 261.413 3.609 30 20 CHED CCN(Cc1ccoc1)c1nc(C)c(C#N)cc1Cl 589686237 XUCUDNDHWCYQRS-UHFFFAOYSA-N 275.739 3.535 30 20 CHED N#CCc1ccc(NC(=O)/C=C/c2ccccc2F)cc1 8126351 KUTOEUDGCRMZDD-JXMROGBWSA-N 280.302 3.544 30 20 CHED Cc1ccc(C(=O)OCc2cn3ccccc3c2C#N)s1 14851913 PTUFKPPKZUDDJR-UHFFFAOYSA-N 296.351 3.538 30 20 CHED COc1ccccc1N[C@@H](C)c1cccc(C#N)c1 37189279 YZWTVLBNSWDBPK-LBPRGKRZSA-N 252.317 3.740 30 20 CHED N#CCSCC(=O)Oc1ccc(-c2ccccc2)cc1 41749928 VGJJJAMDSYGUSX-UHFFFAOYSA-N 283.352 3.516 30 20 CHED CC(C)(C)c1ccc(CCNC(=O)C2(C#N)CCCC2)cc1 41947040 PPIKJTONFDVUSL-UHFFFAOYSA-N 298.430 3.727 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)o1 48853260 VJCLYNKVESSCKI-ZDUSSCGKSA-N 276.295 3.626 30 20 CHED CC[C@@H](CC#N)N[C@H](C)c1ccccc1Br 54182906 WGUAFANTXOXDKW-MNOVXSKESA-N 281.197 3.792 30 20 CHED C=CCCC(=O)N(Cc1ccccc1)c1ccccn1 60364875 NHMSJOXCZJTPPG-UHFFFAOYSA-N 266.344 3.581 30 20 CHED CC[C@@H](C)[C@H](C)N(Cc1ccccc1C#N)C1CC1 60562719 HRNZYJXKNYRQDF-KGLIPLIRSA-N 256.393 3.957 30 20 CHED C[C@@H]1CCN(CCOc2ccccc2C#N)[C@H]2CCCC[C@@H]21 62640476 IHQUHSWLNBHVRL-NXHRZFHOSA-N 298.430 3.838 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccc(OC)cc1 65775828 LTGJNTSEUZOEMO-UHFFFAOYSA-N 295.382 3.566 30 20 CHED Cc1cccnc1CNc1ccc(C#N)cc1C(F)(F)F 77964724 DUOYHRSWUOJVSE-UHFFFAOYSA-N 291.276 3.893 30 20 CHED Cc1cccc(C(C)(C)CNC(=O)c2cc(C#N)cs2)c1 84088400 SVQSBPGIKIZJGU-UHFFFAOYSA-N 298.411 3.636 30 20 CHED CC(C)(CCC#N)CN1CCS[C@H]2CCCC[C@@H]21 93690469 GEAGYXPVCNLHIT-KBPBESRZSA-N 266.454 3.676 30 20 CHED COc1ccc([C@@H](C)CCNc2cnccc2C#N)cc1 94167106 ZPWNNDJMLCTESI-ZDUSSCGKSA-N 281.359 3.568 30 20 CHED CCCCCCCCC(=O)N(C)CC1CCN(C)CC1 103452052 RALOSBGTDDTIJW-UHFFFAOYSA-N 282.472 3.537 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N[C@@H](C#N)c2ccccc2F)C1 108797181 RNRZILBQOOYIFF-IOASZLSFSA-N 288.366 3.723 30 20 CHED C=CC1CCN([C@@H](C)C(=O)Nc2cccc(C)c2C)CC1 111260084 ORTJLJZUYPHWHD-HNNXBMFYSA-N 286.419 3.528 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C/c1cccnc1 112183758 YRPFEBNEZIZGGN-ZHACJKMWSA-N 284.403 3.690 30 20 CHED N#Cc1cnc(Nc2ccc3ncsc3c2)c(Cl)c1 114708819 WIIQJHYOOXXKFI-UHFFFAOYSA-N 286.747 3.960 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccccc1SCC 116110989 GCIRRCCYUNFFOB-GFCCVEGCSA-N 280.389 3.685 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 116804896 PFAZCDYZMMMUSP-JKIFEVAISA-N 276.424 3.791 30 20 CHED C=C(Cl)CSCCOc1ccccc1OC 122023455 AVNXPXAISAFNFJ-UHFFFAOYSA-N 258.770 3.560 30 20 CHED Clc1ccc(CON=C2CCC3(CC2)OCCO3)cc1 122397253 JUAKIFZKPFHWQB-UHFFFAOYSA-N 295.766 3.530 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](C)c1ccccc1Cl 123222502 VGNMHKGKNYXIEB-CHWSQXEVSA-N 267.800 3.660 30 20 CHED Cc1cnc(CNc2ccccc2S[C@H](C)CC#N)o1 127933527 PVDWOCYURBNZKJ-GFCCVEGCSA-N 287.388 3.989 30 20 CHED CC1(C)C[C@@H]1C(=O)Nc1ccccc1SCCC#N 128177897 GTIIZFKIIUCPIB-LLVKDONJSA-N 274.389 3.677 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](CC)c1ccccc1OC(F)F 128500649 QOVIBVUWHFGJOU-CMPLNLGQSA-N 298.333 3.613 30 20 CHED COCc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 130454643 RJKABUZCGDMASY-IBGZPJMESA-N 294.398 3.968 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1F 131203175 ZBENXNVZDFPRDI-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C#CC[C@H](OC(=O)c1ccc2nc(C)ccc2c1)C1CC1 132623577 XDFQSDUQUFMPRV-KRWDZBQOSA-N 279.339 3.502 30 20 CHED C=C(Cl)CNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 134810718 FMMUOIOLPYZWKX-SMDDNHRTSA-N 265.784 3.685 30 20 CHED N#Cc1csc(CN[C@@H]2CCOC3(CCCCC3)C2)c1 136741858 KACRVWHUIIZJOA-CQSZACIVSA-N 290.432 3.591 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 153844868 QVYHXDVDIBRNQH-QWRGUYRKSA-N 285.309 3.575 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1c1cccc(C)c1 155062210 UYSDRLPQJMZBNK-KRWDZBQOSA-N 284.403 3.645 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H]1c1ccc(F)cc1 157553358 PKAPFCATLQHVJW-OAHLLOKOSA-N 260.356 3.902 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C#N)c1 158980347 AOMSUSRUFHQIRA-ZIAGYGMSSA-N 282.368 3.670 30 20 CHED CCCCCCCCN[C@@H](C)c1cn(C)nc1C 160794248 ROVXDRJIUPWGMD-ZDUSSCGKSA-N 251.418 3.740 30 20 CHED C#Cc1cccc(NC(=O)c2cccc(C)c2Cl)c1 162028877 ZVSGEIYGJWSDGC-UHFFFAOYSA-N 269.731 3.882 30 20 CHED CC(C)(C)OCCOc1ccc(C(F)(F)F)c(C#N)c1 162835310 VJOXNTJOXQIQAE-UHFFFAOYSA-N 287.281 3.771 30 20 CHED CCCC(CCC)C(=O)Nc1ccc(CC#N)cc1 163609533 FJZZVOYXHVPKGA-UHFFFAOYSA-N 258.365 3.908 30 20 CHED COc1cccc(/C=N/[C@@H](C)C2CCCCC2)c1O 166180255 LRQFKKAGKBWPAL-OOIIIRTPSA-N 261.365 3.789 30 20 CHED CC(C)(C)Sc1ccc(NC(=O)CSCC#N)cc1 171170061 PVHUNUAGJPMIDE-UHFFFAOYSA-N 294.445 3.772 30 20 CHED C=C(C)CN1CCC(NC(=O)C2CCCCCCC2)CC1 172908863 AWLYIDXIKQSOSM-UHFFFAOYSA-N 292.467 3.504 30 20 CHED C#CCCCNC(=O)Nc1ccc(Cl)cc1Cl 174269245 VJHIHRXDNWRLNT-UHFFFAOYSA-N 271.147 3.528 30 20 CHED C#CCCCNC(=O)Nc1ccccc1OC1CCCC1 175239327 GVBLXRAAXJIPJG-UHFFFAOYSA-N 286.375 3.543 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc(Oc2cccnc2)cc1 176790165 LKOVURJNYMFFQG-INIZCTEOSA-N 296.326 3.579 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(Cl)c(F)c2)c1 176956232 FMRMBNSAPGGHHI-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCCCCCC1 178549300 VCXGYFBRZKQYHA-UHFFFAOYSA-N 271.364 3.665 30 20 CHED N#Cc1ccc(OC(=O)c2cccc(C(F)F)c2)c(F)c1 178555842 TYLCKWVMHXLIML-UHFFFAOYSA-N 291.228 3.854 30 20 CHED Cc1ccc(NC(=O)Nc2cccc(C#N)c2C)cc1 178573310 ZZHKIAJGSORMKN-UHFFFAOYSA-N 265.316 3.819 30 20 CHED C#CCCCCC(=O)Oc1cc(C)ccc1Cl 179660028 ALTNGIHMPWTOBR-UHFFFAOYSA-N 250.725 3.747 30 20 CHED N#CCc1ccc(NC(=O)c2cccn2C2CCCC2)cc1 179983133 YRLZEYNFAILZCW-UHFFFAOYSA-N 293.370 3.922 30 20 CHED C=CCN[C@H](C)c1ccc(OCCCC)c(OC)c1 180338755 UDQTXLLUPOWNNK-CYBMUJFWSA-N 263.381 3.711 30 20 CHED CCCCCN(C(=O)c1c[nH]c(C#N)c1)[C@@H](C)CCC 181300961 QGVIWURLSOESRX-ZDUSSCGKSA-N 275.396 3.707 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1C1CCC1 181417263 YODKAWZBKPXXGN-UKRRQHHQSA-N 264.413 3.705 30 20 CHED Cc1ccc(SC2CCCC2)c(C(=O)N(C)CC#N)c1 182026192 PQGVPZAFKUKTDJ-UHFFFAOYSA-N 288.416 3.625 30 20 CHED CCCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 185783770 NWJVLDIKEJPENJ-CVEARBPZSA-N 272.392 3.647 30 20 CHED CC#CCCCC(=O)Nc1ncccc1-c1ccccc1 186116400 IDDJJTOZVDNOOJ-UHFFFAOYSA-N 278.355 3.881 30 20 CHED C=CC[C@H](C(=O)N1CCS[C@@H](C)[C@@H]1C)c1ccccc1 188110960 SVOGBQUGUMYGNS-DZKIICNBSA-N 289.444 3.699 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1F 189492349 PQUCQOGHHYXWIE-HOTGVXAUSA-N 292.423 3.851 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccnc2ccccc12 189925855 BCYPAHVCEVCVQL-UHFFFAOYSA-N 295.386 3.779 30 20 CHED C[C@H]1CSCCN(Cc2ccccc2C(C)(C)C#N)C1 190393368 GEZDLQWZIFIMRU-CQSZACIVSA-N 288.460 3.673 30 20 CHED CC[C@H](C)NC(=O)[C@@H](C)S[C@@H](C)c1cccc(C#N)c1 190906576 DFXVYFCBOIYLRH-RWMBFGLXSA-N 290.432 3.656 30 20 CHED N#CCCCSCCOc1ccc(F)cc1Cl 190995038 HVIAYOFRQMSKLG-UHFFFAOYSA-N 273.760 3.895 30 20 CHED C=CCC1(C(=O)N2CCc3c(F)cc(F)cc32)CCC1 191874225 XDWWYYSNYALKAU-UHFFFAOYSA-N 277.314 3.600 30 20 CHED C=CCC1(C(=O)OCc2nc(C)sc2C)CCC1 192114936 XOOBYCVJYGQYTH-UHFFFAOYSA-N 265.378 3.550 30 20 CHED C#CCCCC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 192170926 RCVVWEBXSOTKCE-LBPRGKRZSA-N 297.320 3.556 30 20 CHED C=CCN1C(=O)/C(=C\c2ccc(C)c(C)c2)SC1=S 207690287 VPANPOJPOVCNLC-UKTHLTGXSA-N 289.425 3.691 30 20 CHED C#CCSCCN[C@@H](C)c1cc2ccccc2s1 219192653 VDDSVGDHBHPIDS-LBPRGKRZSA-N 275.442 3.918 30 20 CHED CCN(Cc1ccccc1)c1nccc(C#N)c1Cl 233469008 MMUODMGJQGEVEL-UHFFFAOYSA-N 271.751 3.633 30 20 CHED C#CCOc1ccc(CNC[C@@H]2C[C@@H]2c2ccccc2)cc1 236692433 CMPQMVPPYPPPEF-AZUAARDMSA-N 291.394 3.592 30 20 CHED CCCCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)C1(C)C 236851141 TTWSAVNMCMACEO-IAGOWNOFSA-N 286.419 3.632 30 20 CHED CN(CCC#N)c1ccc(CNC2(C)CCCCC2)cc1 237195505 UFAKUQKGOZQXTJ-UHFFFAOYSA-N 285.435 3.849 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CC[C@H](O)CC1 245562582 VOCDIIYZTWQIAU-SHTZXODSSA-N 269.429 3.547 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(Cl)s2)cn1 255389190 WEXUFRTYWRBURL-HYXAFXHYSA-N 266.753 3.514 30 20 CHED COc1ccc(O)c(C=Nc2cccc(SC)c2)c1 255494279 IAYAROHKTPNVQU-UHFFFAOYSA-N 273.357 3.873 30 20 CHED CCCN(CC#N)C(=O)/C=C(\C)c1ccccc1Cl 263855440 ATVMMVOXQVJZGC-VAWYXSNFSA-N 276.767 3.505 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)on1 265070717 KIUVPYLTESELRC-UHFFFAOYSA-N 297.358 3.851 30 20 CHED CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cn1 268806121 MFXIHCPNGYYMAH-UONOGXRCSA-N 282.391 3.747 30 20 CHED C[C@H]1C[C@H](/N=C/c2c(O)ccc3ccccc23)CCO1 271241368 YVJNRLBLOWKRQV-NVNMUSKQSA-N 269.344 3.532 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1nc(C)ccc1C#N 271322444 KJTMPJQTNNCOFX-MLGOLLRUSA-N 299.349 3.589 30 20 CHED C=CCCN(C)C(=O)c1c(C)c(CC)nc2ccccc12 276102894 GCAXXXAWHPWMHV-UHFFFAOYSA-N 282.387 3.754 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)c(Cl)cc1OC 276333356 FCOCQQHVMYDTON-UHFFFAOYSA-N 288.174 3.650 30 20 CHED N#Cc1ccn(Cc2nc(C3CCCCC3)cs2)c1 277755543 ZOWXBGGYWPLGMZ-UHFFFAOYSA-N 271.389 3.912 30 20 CHED N#CC1(C(=O)Nc2ccc(-c3ccco3)cc2F)CCC1 278383569 DBTDKJBGPJIURG-UHFFFAOYSA-N 284.290 3.718 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCCc2nc(C)sc21 281488863 GEYDKRHFWZVNQP-DGCLKSJQSA-N 250.411 3.773 30 20 CHED C=CCC[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccco1 285940351 DJCWYWHAQKNJRB-LSDHHAIUSA-N 275.392 3.978 30 20 CHED C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(F)(F)F 289827021 URRSTSWLMBCDAL-VIFPVBQESA-N 299.296 3.560 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H](c1ccccc1)C(C)C 292438543 MJHCCSKHYHHXGZ-QGZVFWFLSA-N 284.403 3.745 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 292651508 DVRCDIALYBSJNG-HNNXBMFYSA-N 289.394 3.819 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 300408041 CXFLDVQGKSAVIT-DRZSPHRISA-N 288.778 3.976 30 20 CHED CCC[C@@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 301618889 LJXXGQCPCFVMHK-LLVKDONJSA-N 263.772 3.623 30 20 CHED Cc1c(Nc2c(C#N)cccc2C#N)cnn1C1CCCC1 302883846 LGOXECDLGLEXIH-UHFFFAOYSA-N 291.358 3.794 30 20 CHED CCC(CC)[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)CCO1 302904220 UYYSURWMXAFCDF-SJORKVTESA-N 297.402 3.826 30 20 CHED CCCCNc1c(C#N)cnc2ccc(OC(F)F)cc12 302951439 DWDZQKJGOUZWFJ-UHFFFAOYSA-N 291.301 3.920 30 20 CHED C=CCCCNc1ccc(/C=C/C(=O)OCC)cc1 303854865 OUOBVAXFITUJIP-FMIVXFBMSA-N 259.349 3.641 30 20 CHED N#CCc1ccc(NCc2cnc3ccccc3c2)cc1 313311537 QKFNEUFKXSTDFA-UHFFFAOYSA-N 273.339 3.913 30 20 CHED C[C@@H]1[C@@H](/N=C(/O)c2cnc3cnccc3c2)CCC[C@H]1C 329288707 QCVIIARNFZKBIW-XUJVJEKNSA-N 283.375 3.759 30 20 CHED CNc1ccc(Cl)c(/C(O)=N/CC[C@@H]2CCCCO2)c1 331232876 BESTZZOMHHCDAU-LBPRGKRZSA-N 296.798 3.646 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 331495610 GRVIBMUXEOEGLF-CAOSSQGBSA-N 291.439 3.583 30 20 CHED N#CCCNC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 332241745 AIHNOPXIFNVOTC-FLVLSHQESA-N 297.402 3.568 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(C(F)F)c1Cl 334692643 WSDORBWSOULBGB-CPFSXVBKSA-N 284.693 3.766 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(C#N)s1 334831765 RQKNMOCMAGZINH-QLJPJBMISA-N 286.375 3.782 30 20 CHED CC1(C#N)CCC(Nc2cncc(Br)c2)CC1 336219180 HPAKBCMMXYMKRG-UHFFFAOYSA-N 294.196 3.728 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C2CC(F)(F)C2)CC1 336601237 SKKZBIAYZJOZMH-UHFFFAOYSA-N 298.377 3.647 30 20 CHED C=CCCc1ccccc1NC(=O)c1ncncc1Cl 337176287 JFYLRPJAKPNUIX-UHFFFAOYSA-N 287.750 3.501 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1nc2ccccc2s1 337736314 AIRNAQICSQZOAR-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@@H](Sc1cc(C#N)ccn1)c1ccc(F)cc1 340138707 RDJJEXOAIRFYKQ-SNVBAGLBSA-N 258.321 3.946 30 20 CHED CSc1ccsc1C(=O)N(C1CC1)C1(C#N)CCC1 341581067 GIGKYUIYAMIZDI-UHFFFAOYSA-N 292.429 3.521 30 20 CHED CC1(C)CCCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1C#N 341643234 KHTZSTKZWKVTFH-YESZJQIVSA-N 296.414 3.721 30 20 CHED Cc1ccc(Cl)cc1CNc1snc(C)c1C#N 342968230 YFSYXPKNHCZTRA-UHFFFAOYSA-N 277.780 3.897 30 20 CHED C=CCSc1ccccc1C(=O)NCC1(SC)CC1 345326806 VXJIYSIQJIQERS-UHFFFAOYSA-N 293.457 3.590 30 20 CHED Cc1nc(C(F)(F)F)ccc1OCc1ccc(C#N)cc1 349763782 KGMQGKNVJISOIJ-UHFFFAOYSA-N 292.260 3.860 30 20 CHED C=C(C)CCc1noc(-c2ccnn2C(CC)CC)n1 351642611 WKLMFWBOTHWAAB-UHFFFAOYSA-N 274.368 3.803 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1 354371990 QOPNMTMYIMWLNK-WBMJQRKESA-N 288.366 3.738 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2cc(C)oc2C)CC1 355324840 XAYPNYWTCKSTIO-LBPRGKRZSA-N 261.365 3.820 30 20 CHED CC1(C)CC[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)C1 356588320 FRPDZDFGZSXYHB-HZPDHXFCSA-N 284.403 3.769 30 20 CHED C[C@@H]1CC[C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 358022112 FLABQMQAEWYRJA-HLLBOEOZSA-N 284.403 3.626 30 20 CHED CC(C)(CCC#N)CN1Cc2ccc(O)cc2C2(CC2)C1 361022945 REIJTQVFFPZSBF-UHFFFAOYSA-N 284.403 3.569 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(F)cc2C#N)C1 364104628 UQZPPRVYWJTGEI-SCLBCKFNSA-N 295.361 3.675 30 20 CHED Cc1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)oc1C 365677270 AIGNHODFCVACSB-IAGOWNOFSA-N 295.386 3.563 30 20 CHED N#Cc1ccc(OC[C@H]2CCCCC2(F)F)c(F)c1 382088927 ITYOADSEIAWQDE-LLVKDONJSA-N 269.266 3.902 30 20 CHED N#Cc1ccnc(N2CCC3(CCCCC3)C2)c1Cl 388374255 MBSNZFRGGNSPCJ-UHFFFAOYSA-N 275.783 3.767 30 20 CHED CC(C)CON=Cc1cc(Br)cs1 388587493 JFSSINYLPCZRQH-UHFFFAOYSA-N 262.172 3.517 30 20 CHED CC(C)CCCCC(=O)Nc1nn(C(C)(C)C)cc1C#N 410544132 ZCGJQJSCGSWGKZ-UHFFFAOYSA-N 290.411 3.665 30 20 CHED C=C(C)[C@@H](NCCc1cncs1)c1ccc(F)c(F)c1 411555546 NHXYHKVYWWXODG-OAHLLOKOSA-N 294.370 3.871 30 20 CHED N#CCC[C@H](N[C@H]1C[C@@H](N)c2ccccc21)c1ccccc1 423001095 WLMSTQGLYNKEPB-QYZOEREBSA-N 291.398 3.766 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(F)c(F)c1 424566173 OGYLCBRHYROPKJ-UHFFFAOYSA-N 267.319 3.526 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccnc3cc(Cl)ccc23)C1 425275765 UPMHJZBFSGCCGL-CMPLNLGQSA-N 271.751 3.992 30 20 CHED Cc1ccnc(C)c1NC(=O)C[C@H](CC#N)c1ccccc1 425577905 BGHYAIDNJKSNBN-INIZCTEOSA-N 293.370 3.725 30 20 CHED CO[C@H]1CC[C@@H](Nc2nc3c(cc2C#N)CCCC3(C)C)C1 428226342 GXPLLUWXJLUTEL-CABCVRRESA-N 299.418 3.547 30 20 CHED N#CCC1(CN[C@H]2CCC[C@H]2Cc2ccccc2)CC1 430758151 ZKZLNRADJTYEBI-IRXDYDNUSA-N 268.404 3.681 30 20 CHED CC(C)C1CCC(CNC(=O)Cc2ccc(C#N)cc2)CC1 431835475 DUUBCSPRQGWKEJ-UHFFFAOYSA-N 298.430 3.679 30 20 CHED C=CCC(C)(C)CNc1ccc(C(C)=O)cc1[N+](=O)[O-] 432129599 MBCUIPMDGNAWGA-UHFFFAOYSA-N 276.336 3.812 30 20 CHED Cc1ccc(NCC#Cc2ccc(F)cc2)cc1F 433431385 UMAQNZHWFGYHLS-UHFFFAOYSA-N 257.283 3.737 30 20 CHED CC[C@@H](C#N)Sc1nccn1-c1cc(C)ccc1C 436047939 DHUOQRVZAQMUEZ-ZDUSSCGKSA-N 271.389 3.883 30 20 CHED C=CC[C@@H]1N(C(=O)NCCC(F)(F)F)CCCC1(C)C 445108877 LCHCTWLWRHVPOW-NSHDSACASA-N 292.345 3.715 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@](C)(C=C)CCOC 445827870 RSXMFVSEDZWXOS-GOSISDBHSA-N 293.451 3.810 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccnc1-c1csc(C)c1 446425738 URCQYJXLGPADNQ-JTQLQIEISA-N 287.388 3.815 30 20 CHED CCc1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)n1 449470297 WXWAPVDJYGGFGL-UHFFFAOYSA-N 293.370 3.697 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(CS(=O)(=O)CC)cc1 449771161 FIVYDIDVHMJGKP-KGLIPLIRSA-N 295.448 3.634 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCOc3ccccc32)CCCC1 449853430 VQBHFAMADXSUJI-HNNXBMFYSA-N 299.414 3.805 30 20 CHED C=CCC1(C(=O)Nc2cccc3nc[nH]c23)CCCC1 449940065 PVBWSTKUCBABLO-UHFFFAOYSA-N 269.348 3.638 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)CSC)CCCCC1 450412026 PHHCJQISHZCSTH-ZDUSSCGKSA-N 269.454 3.771 30 20 CHED N#CC1(CNC2(c3cccc(Cl)c3)CC2)CCC1 450687183 ZETNVJKXHRORCS-UHFFFAOYSA-N 260.768 3.613 30 20 CHED C[C@@H](NC[C@@H]1CCCC1(F)F)c1ccc(C#N)c(F)c1 453312805 CELPERCKMNFQTH-MFKMUULPSA-N 282.309 3.783 30 20 CHED C=CCC[C@H](NCc1cnccc1C)c1ccco1 453324399 LBJHMHXDFLYAOW-HNNXBMFYSA-N 256.349 3.780 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@H](C)c2ccccc21 453379260 YVLNQRBNCPYUCH-DXEWXGHRSA-N 257.377 3.558 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1=CC[C@@H](C)CC1 454991294 CBLNSRQEUCVZIE-GFCCVEGCSA-N 284.359 3.642 30 20 CHED CCOc1ccc(Cl)c(NC(=O)N[C@@H](CC)CC#N)c1 455757854 PGCKYRJHFNYPAU-JTQLQIEISA-N 295.770 3.552 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)[C@H]1CCC[C@@H](C)C1 456995322 HLIJPHSGODXCDW-WOPDTQHZSA-N 276.405 3.564 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)C1CCC1 457493596 PXVLXWYJORASIZ-ZDUSSCGKSA-N 275.367 3.777 30 20 CHED C=CC(C)(C)CNC(=O)N1CC=C(C(C)(C)C)CC1 458982332 AMYHPRDWEUNSID-UHFFFAOYSA-N 264.413 3.586 30 20 CHED CC[C@H](C(=O)N(CC)C[C@@H](C)C#N)C1CCC(C)CC1 461003933 AZCMPQVJDGJIJB-GRAKBVBRSA-N 278.440 3.847 30 20 CHED C[C@@H]1[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1(F)F 461023688 LAMJLGQOGFNXRU-HQJQHLMTSA-N 298.358 3.757 30 20 CHED CC(C)c1cccnc1NC(=O)[C@H](C)c1cccc(C#N)c1 462250278 WCJRKPLGSQJVJR-CYBMUJFWSA-N 293.370 3.819 30 20 CHED C[C@@H]1C[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)CC(C)(C)C1 464707680 FHPFLQZEASRHEN-MGPQQGTHSA-N 278.440 3.893 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 465649787 DLGBTOGLTNPADN-BFHYXJOUSA-N 287.407 3.743 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCSCc1ccc(C)cc1 466362326 LWDQUDCWGDGGMG-KRWDZBQOSA-N 291.460 3.947 30 20 CHED CC#CCCCC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 466414608 AKGUYYYCPFONQM-UHFFFAOYSA-N 296.414 3.903 30 20 CHED CC(C)Oc1ccccc1CNCCc1cccc(C#N)c1 466422712 NTVOEJWSVAAWFJ-UHFFFAOYSA-N 294.398 3.678 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 468265344 DXOCTWLCJVPGDK-MRXNPFEDSA-N 294.373 3.995 30 20 CHED C[C@H]1CN(CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 471049565 ZWWCJVMQAIPCAP-HNAYVOBHSA-N 292.382 3.630 30 20 CHED COc1cc(NCc2ccccc2C#N)c(C)cc1C 475669058 LMNKMEVVROBCRN-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CCCC1(C(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)CC1 476302249 RTGBSWAVQWLGMK-VBQJREDUSA-N 299.414 3.802 30 20 CHED N#Cc1ccc(OCCNc2ccc(Cl)cc2)cc1 476815519 MNHRYTNCOPTAEU-UHFFFAOYSA-N 272.735 3.703 30 20 CHED C=CCCC1(C(=O)N2CC(C)(C)OC3(CCCC3)C2)CC1 476918878 YMYFMXTVIFJDFO-UHFFFAOYSA-N 291.435 3.683 30 20 CHED C[C@@H]1C[C@H](CC(=O)N[C@]2(C#N)CC2(C)C)CC(C)(C)C1 484911576 QNDSVODTMQZABI-XNJGSVPQSA-N 276.424 3.647 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 485887079 FHLVPPLGXCOXSQ-KSZLIROESA-N 280.415 3.948 30 20 CHED C=CCOc1ccc(/C=C\c2ncccc2C#N)cc1 486103270 QKJIGLZDDYEZOH-YFHOEESVSA-N 262.312 3.688 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ccc(C)cc1C 489884477 LWENCSUJCHZESV-UHFFFAOYSA-N 273.420 3.955 30 20 CHED COCCCCCN(Cc1ccc(C#N)cc1)CC(C)C 491028543 PLPNONOEHMTABF-UHFFFAOYSA-N 288.435 3.833 30 20 CHED C#CCN(C(=O)c1cc2ccncc2s1)C1CCCCC1 491660434 YJVJMXLMRVSFPF-UHFFFAOYSA-N 298.411 3.704 30 20 CHED C#C[C@@H](NC1CCC(OC2CCCC2)CC1)C(C)C 491680679 JMEREKZMEWDDPY-BDVYOWHSSA-N 263.425 3.504 30 20 CHED CC(C)[C@@H](C)N(C)Cc1cc(C#N)ccc1Br 492516645 VZVQMQAWHPRVSN-LLVKDONJSA-N 295.224 3.797 30 20 CHED C=C(C)COc1cccc(NCc2cncc(F)c2)c1 494602240 ZMOPWLJXYKGOKQ-UHFFFAOYSA-N 272.323 3.788 30 20 CHED COc1cc(C#N)ccc1CSCCOc1ccccc1 499313139 ZWEVLKIVHAPYGF-UHFFFAOYSA-N 299.395 3.879 30 20 CHED C=CCCCN[C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 512280787 XFJLUANDQDSJTL-MRXNPFEDSA-N 295.810 3.674 30 20 CHED C=C(C)CN(CC)Cc1cc(-c2ccccc2)on1 514710876 LYFCMWXHTOESFI-UHFFFAOYSA-N 256.349 3.740 30 20 CHED CC#CCN(C)C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 518430003 LSLYHJJETLFWNU-DLBZAZTESA-N 293.451 3.624 30 20 CHED C=C1CCN(S(=O)(=O)c2ccc([C@@H](C)CC)cc2)CC1 518665545 HRICDIGRAVQQGP-AWEZNQCLSA-N 293.432 3.541 30 20 CHED C=CCC(C)(C)C(=O)N1CC(C)(C)[C@@H]1c1cccnc1 521440158 UHCUOZAVTFWDLQ-AWEZNQCLSA-N 272.392 3.593 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](CC1CCCC1)C(C)C 524206198 YANMYJOXZAHPNU-ZFWWWQNUSA-N 251.414 3.920 30 20 CHED CC1(C)CCc2cccc(NCc3nc(C#N)cs3)c2O1 527810400 GTTPNIKQERIYAL-UHFFFAOYSA-N 299.399 3.730 30 20 CHED C=CCC(C)(C)c1noc([C@@H](CCC)OCC)n1 528203007 SLWPKXMFVFPJPE-LLVKDONJSA-N 252.358 3.801 30 20 CHED C[C@@H](CN(C)C(=O)Cc1cccc(C#N)c1)C1CCCCC1 530035949 BPFIEKNLWQECHJ-HNNXBMFYSA-N 298.430 3.776 30 20 CHED CCC[C@@H](C(=O)Nc1cc(CC#N)ccn1)c1ccccc1 532434427 WDGBCDZSGZMUPZ-MRXNPFEDSA-N 293.370 3.670 30 20 CHED CC[C@](C)(NCc1cc(C#N)ccc1F)C(F)(F)F 533066853 WCNFTCPBZQTPFM-LBPRGKRZSA-N 274.261 3.518 30 20 CHED C=CCCc1csc(-c2cccc(C(=O)O)c2)n1 536387955 VJPPGZHHOCEJGQ-UHFFFAOYSA-N 259.330 3.627 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(F)cc1F 537185158 UDXDKQGMTWTNDG-LLVKDONJSA-N 282.334 3.509 30 20 CHED C[C@H](NCCCc1cccs1)c1cccc(C#N)c1 539506708 MRTQZUQCUREVGD-ZDUSSCGKSA-N 270.401 3.903 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(C(C)(C)C)cc1 540396101 ARYAACNCZTWZLK-CABCVRRESA-N 275.436 3.819 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(C(C)C)cc1 540399166 WCQZNBMLVZPUFP-GJZGRUSLSA-N 261.409 3.645 30 20 CHED CC(C)C[C@H]1C[C@@H](Nc2ccc(C#N)cc2F)CCO1 540691340 AWVQJJLKFFTNOG-KBPBESRZSA-N 276.355 3.703 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(Cl)c(C#N)c1 542545652 WRIIAVYNUFQKBC-QWRGUYRKSA-N 290.794 3.766 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC(CC#N)CC1 543808539 USQOVFIGPNOPDA-UHFFFAOYSA-N 281.403 3.613 30 20 CHED C=CCOCc1nc(-c2ccc(C(C)C)cc2)no1 546933706 SSWDSMYKGHDKCF-UHFFFAOYSA-N 258.321 3.563 30 20 CHED C=CCCCCN[C@@H]1CCN(C)[C@@H](c2ccccc2)C1 551174890 HPMCYYFRWSKRNQ-QZTJIDSGSA-N 272.436 3.768 30 20 CHED N#Cc1ccc(C(=O)NCc2ccc(C3CCC3)cc2)s1 555596409 RJEUVPSUUJZJAT-UHFFFAOYSA-N 296.395 3.817 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(Cl)cc1OC 555952732 RESHVKGBPZJXAP-UHFFFAOYSA-N 281.783 3.567 30 20 CHED CCC[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(F)cc1F 557604470 HFWXBVXLYJCAHW-INIZCTEOSA-N 287.313 3.607 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2cc(F)ccc21 558907917 OOJGHZCVFLTVGJ-GFCCVEGCSA-N 276.355 3.643 30 20 CHED C=CCCCCCOc1ccc(-c2ncn(C)n2)cc1 559974071 NKOYWXVAPUEDSE-UHFFFAOYSA-N 271.364 3.607 30 20 CHED C=CCCCCN1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 562532481 KJHAIXDBKRJOLK-ZACQAIPSSA-N 264.457 3.680 30 20 CHED C[C@@](C#N)(NC(=O)[C@@H]1CCCC(F)(F)C1)C1CCCCC1 563370424 CSBOKXYTZGPKOZ-DOMZBBRYSA-N 298.377 3.791 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)c1cc(C#N)[nH]c1C 569779890 PFCYKVQVDZMVOT-UHFFFAOYSA-N 297.358 3.543 30 20 CHED CC[C@@H](NC(=O)N1CCC(CCC#N)CC1)[C@H]1CC1(C)C 570326872 JWWOOTSYPMRYMO-HUUCEWRRSA-N 291.439 3.536 30 20 CHED CC1(C)CN(c2ccc(Cl)c(C#N)n2)[C@H]2CCC[C@@H]21 572978517 LWSPJLAMDKQJLD-GWCFXTLKSA-N 275.783 3.622 30 20 CHED C[C@H](C1CC1)n1cc(N[C@@H]2CCc3ccc(C#N)cc32)cn1 573529656 HDLIEQYNNNCDSD-KZULUSFZSA-N 292.386 3.825 30 20 CHED C=CCCOCCN[C@H](Cc1ccccc1Cl)C1CC1 574210516 LLCQZAPFXBHHOQ-QGZVFWFLSA-N 293.838 3.843 30 20 CHED N#Cc1ccc(N2CCC[C@H]2[C@@H]2CCCOC2)cc1Cl 575746319 UEYQHQVDYZZKNB-CJNGLKHVSA-N 290.794 3.607 30 20 CHED C=CCCCC(=O)N(C)[C@@H](CC)c1ccccc1OC 578544278 AEVQSRMXWPHZHL-HNNXBMFYSA-N 275.392 3.961 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(Cl)cc2OC)no1 584496213 SLVUXWKWHBLLDF-CQSZACIVSA-N 291.738 3.590 30 20 CHED C=C(C)CCc1noc(CCCc2ccc(O)c(F)c2)n1 584868096 WHKJAJHFYYKBHJ-UHFFFAOYSA-N 290.338 3.598 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(CC2(C#N)CC2)n1 590285392 YYYPPTCFSANVKI-NEPJUHHUSA-N 259.353 3.600 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 592600085 KMYFKYVCEZLARR-YOEHRIQHSA-N 282.387 3.872 30 20 CHED N#Cc1c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)sc2c1CCC2 592998610 CUNOEAIZPMQCPF-NTZNESFSSA-N 298.411 3.649 30 20 CHED Cc1cc(CSCc2cc3n(n2)CCCC3)ccc1C#N 593201371 YUWNNUVNIUGMSK-UHFFFAOYSA-N 297.427 3.833 30 20 CHED CC(C)CCc1nc(CN(C2CC2)[C@H](C)C#N)cs1 595713233 GGGXYGMPIHETCX-GFCCVEGCSA-N 277.437 3.608 30 20 CHED N#Cc1cnc2c(F)ccc(F)c2c1N1C[C@@H]2CCCC[C@@H]21 596295541 WQWNYGBHVALWBR-HZMBPMFUSA-N 299.324 3.763 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)Nc1cc(C#N)ccn1 596317559 NCOBTLDNUIJJOH-HNNXBMFYSA-N 269.323 3.526 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(Cl)cc1 596455830 ILMRQMQDTWDLAO-UHFFFAOYSA-N 284.812 3.771 30 20 CHED COc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1F 596819902 HLNHRZLJPWTBPJ-UHFFFAOYSA-N 290.338 3.637 30 20 CHED CC(C)N(CC1CCC1)C(=O)CC1(C#N)CCCCC1 597569725 CBFYHYCKVQJFAF-UHFFFAOYSA-N 276.424 3.888 30 20 CHED Cc1cc2nnc(S[C@@H](C#N)C3CC3)n2c2ccccc12 601068258 CTXAGNJKQQDVMA-AWEZNQCLSA-N 294.383 3.585 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc2ccn(C)c2c1 602309910 WJIHMAYQWGVWTO-UHFFFAOYSA-N 297.402 3.723 30 20 CHED C[C@H](CCC#N)CNc1ccc(SCCCO)cc1 602494708 IOAQNFSOJMYWSV-CYBMUJFWSA-N 278.421 3.513 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NC[C@H](C)CCC#N 602578944 PZBWNEMMGYELOX-KEYYUXOJSA-N 256.393 3.839 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1nc(C(F)(F)F)cs1 602642004 WXMPALQAMNOYAU-RKDXNWHRSA-N 291.342 3.752 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(C)c1ccc(C#N)cc1F 609217113 VNZSNMSWAVEJSM-TZMCWYRMSA-N 288.366 3.877 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 609566167 XBDKFIMRQVVUDT-INIZCTEOSA-N 278.355 3.766 30 20 CHED CC1(CSc2nc(-c3ccccc3)ccc2C#N)COC1 610218570 MHJDJQWTTVJLGF-UHFFFAOYSA-N 296.395 3.749 30 20 CHED C[C@H](NC(=O)[C@H](C)c1ccsc1)c1cccc(C#N)c1 610360058 QTJPCYANVHAOMT-NEPJUHHUSA-N 284.384 3.601 30 20 CHED C[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 610363298 JRZUJDHATKZPCT-OSRSDYAFSA-N 282.387 3.562 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(C)c2F)C1 617782823 NDZFIWAFHCYMQB-CYBMUJFWSA-N 261.340 3.562 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3ccccc3c2O)C1 617787040 GGJXOUPDFRQUSZ-AWEZNQCLSA-N 295.382 3.974 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2)C1 617787898 ZXNWRIBDMPKWPE-CQSZACIVSA-N 295.386 3.505 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)C1(C)C 617987565 XSBVRGXXPKLQIE-QLFBSQMISA-N 288.435 3.766 30 20 CHED Cc1nc(C(=O)Nc2ccc(Cl)c(C#N)c2)sc1C 618398447 PRLXWSRYRLUHHK-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C=CC[C@@H]1CCCN([C@H](C)c2cc(C)c(C(=O)O)o2)C1 656759920 LRTCRYOZXQXSDF-CHWSQXEVSA-N 277.364 3.635 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC1(C)CCOCC1 657925121 BDSYFWAHEJLABN-LSDHHAIUSA-N 251.414 3.528 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@@H]1c1ccc(F)cc1 661232873 PAHGNJYSVXZDRP-OAHLLOKOSA-N 290.382 3.884 30 20 CHED C=CCCNC(=O)Nc1ccccc1N(C)C1CCCC1 666348400 BSQGFXVHJWUVFQ-UHFFFAOYSA-N 287.407 3.763 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(F)ccc1N1CCCCC1 674983739 XQURCFAAJYAVOR-GFCCVEGCSA-N 291.370 3.512 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCc2cc(OC)ccc2C1 680352325 LUPWQRMCVUBZSJ-DLBZAZTESA-N 273.420 3.887 30 20 CHED C=CCC[C@@H](N[C@H]1CCc2cc(OC)ccc2C1)C1CC1 680352625 NYWPDOXKIZNTKL-PKOBYXMFSA-N 285.431 3.887 30 20 CHED C=C[C@](C)(CC)C(=O)N1Cc2ccccc2C(F)(F)C1 682382229 ILUDBTJYQAPQHQ-OAHLLOKOSA-N 279.330 3.723 30 20 CHED CC[C@H](C)C[C@H](C)Nc1cc(C(C)=O)ccc1C#N 685909109 ILZHCYAJCPZALJ-RYUDHWBXSA-N 258.365 3.997 30 20 CHED C=CCN(C(=O)c1ccc(C(F)F)cc1)C(C)C 726500698 HTIKDCUJBJMIRJ-UHFFFAOYSA-N 253.292 3.661 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1C 731314324 BEPDRPAIJSVMRG-UHFFFAOYSA-N 287.294 3.878 30 20 CHED CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)C1CCCC1 733076226 GZHSPBYGRVXFJI-BXUZGUMPSA-N 281.469 3.595 30 20 CHED CC(CCc1ccccc1)=NNc1nccnc1Cl 733079240 AWZSHANIMKIVBF-UHFFFAOYSA-N 274.755 3.551 30 20 CHED C=CCCCOC(=O)c1c2c(nc3ccccc13)CCC2 735523173 GABBCDYEEGAOHD-UHFFFAOYSA-N 281.355 3.847 30 20 CHED C#CC[C@@H](OC(=O)c1cc2occc2s1)c1ccccn1 737329135 FCXNFYUDNVVGCP-GFCCVEGCSA-N 297.335 3.811 30 20 CHED CCCCCCCN1CCCN(C2CCCC2)CC1 740878427 FBVYMXRLXMTBRK-UHFFFAOYSA-N 266.473 3.907 30 20 CHED CCC(=NNc1nc2ccccc2s1)[C@H]1CCOC1 741837464 KRZVRICUXZORSR-JTQLQIEISA-N 275.377 3.511 30 20 CHED C=C(C)CCOC(=O)c1ccccc1Br 744299690 KDNAMDFFDODCFV-UHFFFAOYSA-N 269.138 3.572 30 20 CHED CO[C@]1(C)CC(=NNCc2cnc3ccccc3c2)C1(C)C 746577474 FYNCCPRYOOBELP-GOSISDBHSA-N 297.402 3.515 30 20 CHED O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccco1 748492524 RAXYUQXUKCWEFK-UHFFFAOYSA-N 294.228 3.507 30 20 CHED CC(=NNc1nccnc1Cl)c1ccc2ccccc2n1 749815261 XHTZDNPKGMEOGA-UHFFFAOYSA-N 297.749 3.514 30 20 CHED Oc1ccccc1/C=N\C[C@H]1SCCc2ccccc21 749845738 UBOSAFARIRXPEJ-LVSMMTLPSA-N 283.396 3.842 30 20 CHED Cc1ccc(N(C)C(=O)/C=C/c2ccccc2C#N)cc1 751217346 SZCUUXOBRGIVAV-FMIVXFBMSA-N 276.339 3.543 30 20 CHED CC(C[C@H]1CCOC1)=NNc1cccc(Cl)c1F 751526833 RINCIMDAAXFWCL-SNVBAGLBSA-N 270.735 3.694 30 20 CHED C=C(Br)CN1CCC(c2ccc(F)cc2)CC1 752094244 KLTRDPQBNMGUHT-UHFFFAOYSA-N 298.199 3.914 30 20 CHED N#Cc1csc(C(=O)OCc2ccc(Cl)s2)c1 752174049 MFOMKBNEZQCPEO-UHFFFAOYSA-N 283.761 3.692 30 20 CHED C#CCCOC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 753560853 JEKDTUDCXDLFCY-KGLIPLIRSA-N 256.345 3.542 30 20 CHED C#C[C@H](CC)NC(=O)C1(c2ccc(F)cc2)CCCCC1 754682578 KNLVWOHLIOOSHR-MRXNPFEDSA-N 287.378 3.556 30 20 CHED CCCCNN=Cc1cn(-c2ccc(Cl)cc2)nc1C 755647896 ANPRNVCCRRXLMF-UHFFFAOYSA-N 290.798 3.558 30 20 CHED CC(=NO[C@H]1CCCCO1)c1[nH]c(-c2ccccc2)nc1C 755824713 YMLISPSFCGIQBC-HNNXBMFYSA-N 299.374 3.652 30 20 CHED C=CCC[C@@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)O 756379012 JWXYSFOBNZIYET-OAHLLOKOSA-N 287.359 3.559 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)c1ccc(C)cc1 756906224 VTCZMEJXPRQISA-UHFFFAOYSA-N 298.342 3.538 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(N)cc1C 758120541 SMRKJOZIZJNSJS-UHFFFAOYSA-N 271.339 3.861 30 20 CHED C#CCCCCNC(=O)Nc1cccc(OCCCC)c1 758584524 HFEMALJMFDHQDP-UHFFFAOYSA-N 288.391 3.791 30 20 CHED COc1cc(F)cc(NN=C(C)Cc2ccsc2)c1 759210130 NPTNFTPDAZWCNR-UHFFFAOYSA-N 278.352 3.926 30 20 CHED COc1ccc(C)cc1/C=C1/Cc2c(OC)cccc2C1=O 759665126 OASLZYXKQSDJHI-UVTDQMKNSA-N 294.350 3.835 30 20 CHED CCN(CC)c1ccc(/C=N/Cc2cncc(C)c2)c(O)c1 760227254 MOUNNQGIRSRZLS-DEDYPNTBSA-N 297.402 3.561 30 20 CHED C=CCCC(=O)O[C@@H](CC)C(=O)c1ccc(Cl)cc1 763964142 PTQMPYRUHKVZTG-ZDUSSCGKSA-N 280.751 3.811 30 20 CHED C#CCOc1ccc([C@@H](C)NCc2ccc(F)c(C)c2)cc1 764744384 UMSNMCSIUBLIQA-OAHLLOKOSA-N 297.373 3.997 30 20 CHED CC(C)O[C@H]1CC(=NNc2cccc([N+](=O)[O-])c2)C1(C)C 764886857 UILCJYFJFUPVFJ-AWEZNQCLSA-N 291.351 3.586 30 20 CHED Cc1cc2ncn(CN3CCCC(C)(C)[C@@H]3C#N)c2cc1C 766112444 QBMQQSWBUVFCNU-KRWDZBQOSA-N 296.418 3.625 30 20 CHED C#CCCCNC(=O)/C(C)=C/c1c(Cl)cccc1Cl 766521738 SQCCJILBLVGCLG-ZHACJKMWSA-N 296.197 3.926 30 20 CHED CC(CCCCO)=NNc1cc(Cl)ccc1Cl 766707115 RZHHTHIZXLWPFE-UHFFFAOYSA-N 275.179 3.944 30 20 CHED C#CCCCNc1cccc(Cl)c1OC(C)C 766731441 XKKGPWGGUIKIFA-UHFFFAOYSA-N 251.757 3.953 30 20 CHED CCCOc1c(Cl)cc(C=NOCC)cc1OC 767464936 VYOFBGUUJZZYRQ-UHFFFAOYSA-N 271.744 3.508 30 20 CHED Cc1cc(CN(C)Cc2cccc(C#N)c2)cnc1Cl 768262952 MSLHPJTUDYTBLB-UHFFFAOYSA-N 285.778 3.547 30 20 CHED CCCCCCC[C@@H](C)NC[C@](C)(O)c1ccco1 768517611 NSYVAZDXDJCVIA-ZBFHGGJFSA-N 267.413 3.826 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1ccc(F)c(F)c1 768746674 UHRHEKUWKNDWQP-UHFFFAOYSA-N 295.329 3.771 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)cc1Cl)C1CC1 769738035 ZQHDAUNLZQDYSN-SECBINFHSA-N 262.740 3.586 30 20 CHED C#CCOc1ccccc1CN1CC[C@H]1c1ccccc1 771941134 YEUAGGQMJJRXTQ-SFHVURJKSA-N 277.367 3.646 30 20 CHED CC1(C)CCC[C@@H]1C(=O)OCc1ccc(CC#N)cc1 772604132 AWJIUVMUXHQDAL-OAHLLOKOSA-N 271.360 3.622 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](C)[C@H](C)CC)c1 772983747 LIUWPFDQZJPWIC-IIAWOOMASA-N 274.408 3.892 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)[C@H]1Cc2ccccc21 773168727 HFMUYEJJQJKFOY-KRWDZBQOSA-N 296.753 3.575 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1c(C)nn(C(C)C)c1C 774596292 IHUSVYJQHLWILO-JYJNAYRXSA-N 288.439 3.583 30 20 CHED CCc1ccnc(C(=O)OCC#Cc2cccc(Cl)c2)c1 775094854 VRGIBSNZMAETTL-UHFFFAOYSA-N 299.757 3.506 30 20 CHED C#C[C@H](C)N(C)Cc1cc(Cl)c(OCCC)c(OC)c1 775183036 GPBRHOBAKWFARJ-LBPRGKRZSA-N 295.810 3.591 30 20 CHED C=C(C)CCN[C@H](C(=O)OCc1ccccc1)C(C)(C)C 775657290 JGUHOTFIPMBYKK-MRXNPFEDSA-N 289.419 3.700 30 20 CHED Cc1ccc(C(=O)/C=C/c2nc3c(s2)CCCC3)c(O)c1 776264824 JJFYPZUNBYHJOC-CMDGGOBGSA-N 299.395 3.932 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1cncs1 776783214 QYCYSCSRBJYHLL-UHFFFAOYSA-N 282.372 3.836 30 20 CHED Cc1ccc(-c2ccc(C=Nn3ccccc3=O)s2)cc1 776793219 YTFOFNPQJGRTIK-UHFFFAOYSA-N 294.379 3.767 30 20 CHED CCN(C(=O)Cc1ccccc1CC#N)[C@H]1CCCC[C@@H]1C 776885312 XKWNBBZTPQHHKH-YJBOKZPZSA-N 298.430 3.722 30 20 CHED Cc1cc2c(cc1C)C(=NOCC(F)F)CCS2 777447033 WKRQCYORZMYFSC-UHFFFAOYSA-N 271.332 3.785 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1C1CCOCC1 777493623 HIXPITNGOVKOBZ-INIZCTEOSA-N 281.440 3.765 30 20 CHED C=CCN(C)C(=O)c1ccccc1SC(F)(F)F 777840487 YOZPBXFRDZQUIF-UHFFFAOYSA-N 275.295 3.557 30 20 CHED C#CCCCCCC(=O)N(CC=C)Cc1ccccc1 779834206 PJJJGFAEGNGZJG-UHFFFAOYSA-N 269.388 3.785 30 20 CHED C#CCCCCCC(=O)O[C@@H]1CCc2ccc(F)cc21 779970565 IJZRYQXUSJQPJN-MRXNPFEDSA-N 274.335 3.940 30 20 CHED C#CCCCCCC(=O)N(C)CC1(c2ccccc2)CC1 781040229 HOSOFQLANMPTGW-UHFFFAOYSA-N 283.415 3.760 30 20 CHED Cc1cccnc1C=NNc1cccc(C(F)(F)F)c1 781571184 HSXIHNMAKGBKBB-UHFFFAOYSA-N 279.265 3.855 30 20 CHED Fc1ccc(NN=Cc2scnc2C2CC2)cc1 782112282 BXCDQJQOWLRMNM-UHFFFAOYSA-N 261.325 3.606 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccccc1OC(F)F 782299979 KABNEUDEFHDYKF-CYBMUJFWSA-N 282.334 3.790 30 20 CHED CCOc1ccc(OCc2ccc(C#N)c(C)c2)c(C=O)c1 783110336 GHZNJZAFWZOIME-UHFFFAOYSA-N 295.338 3.657 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1cc(C)c(F)cc1F 785767456 HLTDDNBBQOEDJJ-INIZCTEOSA-N 296.313 3.601 30 20 CHED CC/C(C)=C(\C)C(=O)N(CCC#N)C(C)(C)CC 787941389 ABYDGXAZKHMHEN-OUKQBFOZSA-N 250.386 3.664 30 20 CHED CC(C)(C)C1CCC(C=NOC[C@H]2CCOC2)CC1 788030367 NDPYBWFKZQVYPX-SLTAFYQDSA-N 267.413 3.878 30 20 CHED CC(=NOC[C@@H]1CCOC1)C1(c2ccccc2)CCCC1 788033485 IMPJYATTWMNAMY-MRXNPFEDSA-N 287.403 3.927 30 20 CHED Cc1ccc(-c2ccc(C=NOC[C@H]3CCOC3)o2)cc1 788034785 VOAQRMLTKWTGNS-AWEZNQCLSA-N 285.343 3.642 30 20 CHED C#CCC1(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CCCCC1 788172247 HAKWBCKWRDGUPU-DLBZAZTESA-N 299.389 3.772 30 20 CHED C#CCC1(C(=O)N(C)C2CCC(C)CC2)CCCCC1 788429064 CGWPLHLVBRANON-UHFFFAOYSA-N 275.436 3.997 30 20 CHED N#Cc1ccccc1COC(=O)CCc1ccc(Cl)cc1 792752018 LRJDMZMAIJKTDL-UHFFFAOYSA-N 299.757 3.888 30 20 CHED CCCCCCNC(=O)c1ccc(C(C)(C)C#N)cc1 792933568 YKAFSPVRKRTQMB-UHFFFAOYSA-N 272.392 3.798 30 20 CHED CCCCCCCCCCNC(=O)C1=CCOCC1 793646836 WZDZQPXWCTXCBM-UHFFFAOYSA-N 267.413 3.590 30 20 CHED O=C(/C=C\c1cscc1Br)c1ccco1 794702332 NMZMZPOZKGCUFP-ARJAWSKDSA-N 283.146 4.000 30 20 CHED C[C@H]1CSCC1=NNCc1ccc(C(F)(F)F)cc1 794894541 IBAATTZZEVHPNC-VIFPVBQESA-N 288.338 3.534 30 20 CHED CCC(=NNc1cc(C)nc(C)n1)c1cccc(C)c1 794895492 PWSRHZBLOLMDRU-UHFFFAOYSA-N 268.364 3.628 30 20 CHED CC(CCc1ccc(F)cc1F)=NO[C@H]1CCCCO1 794923630 QONNDCDDAPWLFE-HNNXBMFYSA-N 283.318 3.817 30 20 CHED O=C(/C=C\c1ccc(C(F)F)cc1)c1cc(O)cc(O)c1 794947320 WTDQNFGYLJIIHA-UTCJRWHESA-N 290.265 3.932 30 20 CHED C=CCC(C)(C)C(=O)OCc1cn2cc(Cl)ccc2n1 796455781 UZCCCTIBFHUMPZ-UHFFFAOYSA-N 292.766 3.633 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2CCC(F)(F)C2)c(OC)c1 796531391 PIGKGODXHBJPHD-GFCCVEGCSA-N 296.313 3.765 30 20 CHED C=C(C)CCOC(=O)CCc1cnc2ccccc2c1 796736327 QFBQTEPPGKCFEL-UHFFFAOYSA-N 269.344 3.677 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2C[C@H](c3ccccc3)C2)c1 797785287 YXALOPOVKMLROQ-FFSKDLHASA-N 281.355 3.766 30 20 CHED N#C[C@@H](OC(=O)c1cc(S)ccc1F)C1CCCCC1 798724328 KAUGOEIYKROJAB-CQSZACIVSA-N 293.363 3.744 30 20 CHED COc1cccc(/C=N\CCc2ccc3[nH]ccc3c2)c1O 799743066 UJICVGNVGLJNKZ-UNOMPAQXSA-N 294.354 3.544 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C/c1ccc(C#N)cc1 799897612 QWYHICLISUHBHD-OQLLNIDSSA-N 274.323 3.668 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cn(C)c(C)n1 800810819 VTDZTVXEPKVUDD-CYBMUJFWSA-N 298.434 3.927 30 20 CHED COC(=O)c1c(F)cccc1NN=C[C@@H]1CCCC[C@H]1C 800818006 CHABYBPDFCPAOE-NEPJUHHUSA-N 292.354 3.836 30 20 CHED CC(C)Sc1ccc([C@@H](C)NCCO[C@@H](C)C#N)cc1 801937502 OQTPZPOGPXEBGD-UONOGXRCSA-N 292.448 3.766 30 20 CHED CC[C@](C)(C#N)C(=O)OCCCOc1ccc(Cl)cc1 803783941 IEHAJLZNFJTOCD-OAHLLOKOSA-N 295.766 3.592 30 20 CHED C=CCCCCCCNC(=O)[C@@H](C)Oc1ccccc1 805220156 FWPOUHOLNZQRHT-OAHLLOKOSA-N 275.392 3.707 30 20 CHED CCc1ccc([C@H](C)C(=O)OCCCSCC#N)cc1 805441306 PRMHRJASEHRPFE-ZDUSSCGKSA-N 291.416 3.543 30 20 CHED N#CCCCCCC(=O)Oc1cc(F)ccc1Cl 805989841 JOLFRPCGFYOPRO-UHFFFAOYSA-N 269.703 3.859 30 20 CHED C=CCCCCCCCCNC(=O)N1CCC[C@@H](OC)C1 806080131 AJGUVZSXCPWMOE-MRXNPFEDSA-N 296.455 3.724 30 20 CHED C[C@@H](N[C@H]1CCc2nc(Cl)ccc21)c1cccc(C#N)c1 806141653 KSJREUQCHZKJKT-ABAIWWIYSA-N 297.789 3.945 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cccc(C(F)(F)F)c1C 806349719 TYPKYHLIOPMKBS-SNVBAGLBSA-N 284.281 3.547 30 20 CHED O=C(/C=C\c1cc(F)ncc1F)c1cccc(Cl)c1 806566193 XFNQRBXUXSVVEP-PLNGDYQASA-N 279.673 3.909 30 20 CHED C#C[C@H](NC(=O)c1scnc1C1CCCC1)C(C)(C)C 807882212 XLJJXTHKNQWJTF-LBPRGKRZSA-N 290.432 3.578 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1SCC)C(C)(C)C 807884679 UAOKUJVRYDHRPQ-CQSZACIVSA-N 275.417 3.576 30 20 CHED COc1ccccc1CON=Cc1c[nH]c(C(F)(F)F)c1 807986551 MDKIQFZIJBYXMO-UHFFFAOYSA-N 298.264 3.593 30 20 CHED C#CCCOc1ccc(CN[C@@H](C2CC2)C(F)(F)F)cc1 808438811 OGSRAEBIUSNYBQ-HNNXBMFYSA-N 297.320 3.519 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C\c2cnccn2)cc1 809154412 UXMYORSDNZUTHO-YVMONPNESA-N 284.384 3.873 30 20 CHED C#CCCCc1nc(-c2ccc(Cl)c(Cl)c2)no1 809251393 ULAYHDOGYMMFAU-UHFFFAOYSA-N 281.142 3.999 30 20 CHED C#Cc1ccc(CN[C@@H](C)CCCC(F)(F)F)cc1 809654097 RINREPQBMJJJRF-LBPRGKRZSA-N 269.310 3.879 30 20 CHED C#C[C@@H](NCc1ccc(C(F)(F)F)s1)C(C)C 809685706 MGMPEGDBOPGEIJ-SNVBAGLBSA-N 261.312 3.514 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](c1nncn1C)C(C)C 809692372 VEWDGCXWBIKQRL-LSDHHAIUSA-N 278.444 3.627 30 20 CHED CN(Cc1ccccc1)CC(C)(C)C=NOC1CCC1 812237300 SWMJFSSTTLPTRL-UHFFFAOYSA-N 274.408 3.700 30 20 CHED COc1ccc(F)cc1/C=C1/Cc2ccc(F)cc2C1=O 812243314 IYIHYXAWORQVFM-GHXNOFRVSA-N 286.277 3.796 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N[C@]1(C#N)CC1(C)C 813303554 PQOBBKXOWVDBQO-BPLPYTOXSA-N 288.778 3.552 30 20 CHED COCCON=C1CCCC[C@H]1C1=CCCCC1 814865049 NPIXGZRELUDHMJ-AWEZNQCLSA-N 251.370 3.696 30 20 CHED CC(C)(C)CCNN=C1CC[C@H]2CNc3cccc1c32 814901274 GTXPHVFRGZPURW-LBPRGKRZSA-N 271.408 3.719 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(O)cc2)cc1 814983844 QMFZRCULXJXOKJ-UHFFFAOYSA-N 270.332 3.627 30 20 CHED C#CC[C@H](OC(=O)c1ccc2cc(C)ccc2n1)C1CC1 815975652 OOSUXNPNVZKSPO-KRWDZBQOSA-N 279.339 3.502 30 20 CHED C/C(=C/c1ccc(Cl)cc1)C(=O)N(C)CC(C)(C)C#N 817611554 QJGGMIYBXMQDHV-XFXZXTDPSA-N 290.794 3.751 30 20 CHED C=CC[C@H](NC1CCC(C)(C#N)CC1)c1ccncc1 823887424 HOFGNMMOEANPGF-CGZBRXJRSA-N 269.392 3.761 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(Cl)cc1SC 824290786 VXBWCCRALWLQJE-QMMMGPOBSA-N 286.784 3.690 30 20 CHED CC(C)c1cc(=O)oc2cc(OCC3(C#N)CCC3)ccc12 828926751 BVUGDKLLJRXGCN-UHFFFAOYSA-N 297.354 3.989 30 20 CHED CC(C)C[C@H](C)OC(=O)N(C)Cc1ccc(C#N)cc1 829916176 VQYRBWZNCHUFDR-ZDUSSCGKSA-N 274.364 3.561 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ccc(C(=O)O)[nH]2)cc1C 832876244 WPUMWXNPEOIKSZ-FNORWQNLSA-N 283.327 3.534 30 20 CHED N#Cc1ccccc1S[C@H](C(=O)O)c1ccccc1F 833076627 KPRIMNYXQYMDBY-AWEZNQCLSA-N 287.315 3.615 30 20 CHED CC(C)(C)C[C@H](Sc1ccc(C#N)cc1)C(=O)O 833429084 GZFBISGUUIUBJD-LBPRGKRZSA-N 263.362 3.540 30 20 CHED N#CCCSc1ccccc1NC[C@@H]1C[C@H]2CC[C@H]1O2 834548065 KTKGLGVRPFHKDS-GZBFAFLISA-N 288.416 3.672 30 20 CHED CC(C)CC[C@H]1CCC(=NN[C@@H]2CCSC2)C1 834980235 QJWCPUJTYIWQFI-GXTWGEPZSA-N 254.443 3.674 30 20 CHED COc1ccc2oc(C(C)=NOC(C)C)c(C)c2c1 835001167 VHEJLPPKIXANPL-UHFFFAOYSA-N 261.321 3.899 30 20 CHED C[C@@H](OC(=O)CC1CC(F)(F)C1)c1ccc(C#N)cc1 835201324 BUJVNRJJHYWOQR-SNVBAGLBSA-N 279.286 3.598 30 20 CHED N#C[C@]1(C(=O)OCCC2=CCCCC2)CC12CCCC2 837903695 XFDYMICUJNRCJY-KRWDZBQOSA-N 273.376 3.894 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839048000 BHOTXDPEPTZLFK-BRWVUGGUSA-N 285.387 3.881 30 20 CHED C/C(=C\C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 839052947 RBOAZDHUIGBFKI-VJNRTPOASA-N 287.334 3.855 30 20 CHED CC(C)c1occc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839059411 PIRJCWGBQSZJMK-VXGBXAGGSA-N 261.321 3.642 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cnc(C(C)(C)C)nc1 840716071 JCDXXZBLOPHYAZ-AATRIKPKSA-N 270.332 3.572 30 20 CHED Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 840894765 SJSYLJHQDHVXDL-XYJFISCASA-N 299.462 3.664 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 842376188 MABSAHBRLCVACC-LXZKKBNFSA-N 256.345 3.525 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(SC)c(Cl)c1 844551028 CHSBIVYGUBATOM-QMMMGPOBSA-N 286.784 3.690 30 20 CHED C=C(C)CON=C(CC)Cc1ccc(OC)c(OC)c1 844618939 OLMYFEBVHUVPDK-UHFFFAOYSA-N 277.364 3.605 30 20 CHED C=C[C@@H](C)ONC(=O)c1cc(Cl)cc(C(F)(F)F)c1 846550794 UIFKEFMESUDMMI-SSDOTTSWSA-N 293.672 3.595 30 20 CHED COCC(C)(C)CCCNc1ccc(C#N)cc1C 846751066 ZYBACXREYJIUNW-UHFFFAOYSA-N 260.381 3.731 30 20 CHED C#CCCCCNC(=O)CCc1c(Cl)cccc1Cl 846917506 ZIHJCDOWTMCXJZ-UHFFFAOYSA-N 298.213 3.846 30 20 CHED N#C[C@@H](OC(=O)CCc1c(Cl)cccc1Cl)C1CC1 847653977 HHINAGRHCKMFGO-CYBMUJFWSA-N 298.169 3.771 30 20 CHED CC(C)c1ccccc1/C=C1\CCc2c(cnn2C)C1=O 848638149 CLVGJWGOGMNCHE-GXDHUFHOSA-N 280.371 3.756 30 20 CHED C=C(Cl)CNc1ccc(C)c(OCC2CCOCC2)c1 849314180 BFSZARSYIMYZHR-UHFFFAOYSA-N 295.810 3.965 30 20 CHED Cc1ccc(F)c(CC(=O)O[C@H](C)CC(C)(C)C#N)c1 851204570 BMJAWAVFQBBGEO-GFCCVEGCSA-N 277.339 3.548 30 20 CHED CCc1ccc(CC(=O)O[C@H](C)CC(C)(C)C#N)cc1 851207174 UHCZWAGHGRNCGK-CYBMUJFWSA-N 273.376 3.663 30 20 CHED C=CC(C)(C)CCOC(=O)c1cccc(Cn2ccnc2)c1 851299952 GVWJFNZFPDRCSG-UHFFFAOYSA-N 298.386 3.691 30 20 CHED Cc1cc(F)ccc1NN=C[C@H]1CC1(Cl)Cl 853324708 MPSVPGZYDZIVSW-MRVPVSSYSA-N 261.127 3.726 30 20 CHED CC(C)C#CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 854236735 WYFMUSOEDPRVLG-UHFFFAOYSA-N 284.186 3.611 30 20 CHED C=CCC1(NC(=O)CC[C@H]2CC2(Cl)Cl)CCCC1 855928232 LPNFOQGKXLUOBQ-NSHDSACASA-N 290.234 3.966 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc2ncccc2c1 860198192 PUQGQOIYLGZMNQ-UHFFFAOYSA-N 282.343 3.608 30 20 CHED C=CCCC(=O)COC(=O)/C=C/c1ccc(SC)s1 860290119 OMKRDWFRRQTLST-SOFGYWHQSA-N 296.413 3.562 30 20 CHED C#C[C@@H](OC(=O)c1ccnc(C2CC2)c1)c1ccc(C)cc1 860963558 YEMCEJACRFGJLV-GOSISDBHSA-N 291.350 3.799 30 20 CHED CC[C@@H](NC(=O)C#CC(C)C)c1cc(C)ccc1C 863273469 JJJLIQJUAHXIMB-MRXNPFEDSA-N 257.377 3.530 30 20 CHED Cc1ccc2sc(CSCCO[C@H](C)C#N)nc2c1 863397618 RPPJHZMYDLUNOG-LLVKDONJSA-N 292.429 3.767 30 20 CHED C/C(=C/C1CCC(C)CC1)C(=O)NCCCCC#N 865167196 MBVQPLGSJRLWLR-OWBHPGMISA-N 262.397 3.569 30 20 CHED C#CCCCC(=O)N(c1ccccn1)[C@@H](C)c1ccccc1 876312222 CAIHTIUIXKBITN-INIZCTEOSA-N 292.382 3.979 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(SC)cc1OC 879785836 HKSZUQJFHRBBQR-UHFFFAOYSA-N 279.405 3.958 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(O)c(C(C)C)c1 882654110 LJECGFUVRWSCNO-UHFFFAOYSA-N 269.291 3.666 30 20 CHED CC(C)(NC(=O)CCCCCC#N)c1ccc(F)cc1F 894770137 LDBYSQGWDXIHDQ-UHFFFAOYSA-N 294.345 3.790 30 20 CHED N#Cc1cnc(NC(=O)c2ccc(C3CCC3)cc2)s1 896485941 BDSJTCUVHORIKZ-UHFFFAOYSA-N 283.356 3.535 30 20 CHED C=CCCC[C@H](NCc1cccc(C(C)C)c1)C(=O)O 900068647 MMNGVPUOUJNCBJ-INIZCTEOSA-N 275.392 3.709 30 20 CHED CCn1cncc1/C=C/C(=O)c1ccc(C(C)C)cc1 901437938 MFANKJCVEVRCQP-MDZDMXLPSA-N 268.360 3.923 30 20 CHED C=C[C@@H](CC)CC(=O)NC(C#N)(CCC)CCC 903876951 PZHWUYPIURDAOY-ZDUSSCGKSA-N 250.386 3.567 30 20 CHED Oc1nc2ccccc2cc1/C=N/Cc1ccc(F)cc1 912774634 QJJSEEZZGYOCCA-YBFXNURJSA-N 280.302 3.699 30 20 CHED Cc1c(C(=O)OCCCCC#N)oc2c(F)cccc12 914623745 SUFJCNVOYMEGMG-UHFFFAOYSA-N 275.279 3.731 30 20 CHED CC[C@@H]1CCCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1O 915113045 MACFBDYGLCYGAX-NMGOYGNESA-N 276.336 3.688 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C/c1c(F)cccc1F)O2 915988816 IOLPGEJUPXFBKD-AUWJEWJLSA-N 288.249 3.595 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc(C)s1)C(C)C 919786862 FGESKRPCTARUKU-GFCCVEGCSA-N 266.410 3.724 30 20 CHED Fc1cccc(NN=Cc2cccc3cccnc23)c1 920386385 ZAJMCNXXCGRRFH-UHFFFAOYSA-N 265.291 3.820 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Oc1ccc(C#N)cc1 920788717 OUFMBPWJCDBDCF-GXTWGEPZSA-N 257.333 3.680 30 20 CHED CON=C1CCCOc2c1ccc(Cl)c2Cl 921140445 QBHNKTAUHWSAJX-UHFFFAOYSA-N 260.120 3.517 30 20 CHED CO[C@@]1(C)CCCN(CCCCC2(C#N)CCC2)CC1 930285780 JVLJCVYIHZZWKJ-INIZCTEOSA-N 278.440 3.742 30 20 CHED C=CCN(C(=O)c1ccc(F)c2occc12)C(C)C 931924726 HISSACPYMOLRMO-UHFFFAOYSA-N 261.296 3.609 30 20 CHED C=C[C@@H](CC)CC(=O)NC(C)(C)c1nc(C)c(C)s1 933196234 MDHJXNUXWVZFPF-LBPRGKRZSA-N 280.437 3.714 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccncc2)C2CC2)c(Cl)c1 934698870 QLPDNBCJWYPCMZ-QGZVFWFLSA-N 297.789 3.848 30 20 CHED C[C@H](OC(=O)CC#Cc1ccccc1)c1ccc(F)cc1 1116275610 WGBGINMNNKGNFS-AWEZNQCLSA-N 282.314 3.872 30 20 CHED C#CCN(CC1CC1)C(=O)[C@@H](C)c1ccc2ccccc2c1 1116366431 OBUDLXGBFDCVLR-HNNXBMFYSA-N 291.394 3.815 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc2c(c1)COC2 1116482468 GVLUYQWUUQCMJZ-ZDUSSCGKSA-N 294.354 3.792 30 20 CHED N#Cc1c(F)cccc1Oc1ncc(Cl)s1 1116624759 PFNBCUPYGYAGNQ-UHFFFAOYSA-N 254.673 3.600 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(-c2ccccc2)s1 1117664701 GHARINYTRYZZSZ-KRWDZBQOSA-N 296.395 3.837 30 20 CHED CC(C)C#CC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 1118729975 UVRKCFDJJPQFPV-IEBWSBKVSA-N 281.399 3.574 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)O[C@@H](CC#N)c1ccco1 1123463431 TUZMRDOQANDZIW-PBHICJAKSA-N 297.354 3.965 30 20 CHED Cc1cc(N[C@@H](C)CCc2ccccc2)ncc1C#N 1153633232 CWABTLZCUFSHMG-AWEZNQCLSA-N 265.360 3.695 30 20 CHED COCCN(CCC1(C#N)CCCCC1)C1CCCC1 1167261851 NCNLVBWYTYFZJD-UHFFFAOYSA-N 278.440 3.742 30 20 CHED N#CC1(CCN2CCOc3ccc(F)cc32)CCCCC1 1167664631 SOKFWIQCKNTEKA-UHFFFAOYSA-N 288.366 3.889 30 20 CHED CCc1nc(C#N)cc(N[C@@H](CC)CCc2ccccc2)n1 1187044435 JZOPWSUIEBSZCH-HNNXBMFYSA-N 294.402 3.734 30 20 CHED COc1cc(C#N)ccc1C(=O)N[C@H](C)CCCC(C)C 1192268531 OXHZUGQOXSCJLB-CYBMUJFWSA-N 288.391 3.511 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)Cc1ccc2c(c1)CCCC2 1205236972 FGXCPUDUMURUFL-KSSFIOAISA-N 270.420 3.778 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@]1(C)CCCC[C@H]1C 1215556505 OOOHCGFVLKPALC-CXAGYDPISA-N 285.391 3.957 30 20 CHED CCC(C)(C)CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1226165597 WTWGUGHAJSYGEU-MRXNPFEDSA-N 299.418 3.671 30 20 CHED CN(Cc1ccc2ccccc2c1)Cc1cccc(C#N)n1 1232926433 OTDBJRPMLSZFNH-UHFFFAOYSA-N 287.366 3.738 30 20 CHED C[C@@H](C(=O)OCCC(C)(C)C#N)c1ccc(F)c(F)c1 1254206397 MODXDGXSFDTRNQ-SNVBAGLBSA-N 281.302 3.551 30 20 CHED CC#CCCCC(=O)O[C@@H]1CCSc2ccccc21 1254969933 BTONMYLNDGMERU-CQSZACIVSA-N 274.385 3.960 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCCC(=O)c2ccccc2)C1 1263481309 ATVGIXBSIFOFBW-GOEBONIOSA-N 299.370 3.665 30 20 CHED Cc1cc(NCc2cccc(C(C)C)c2)ncc1C#N 1307098671 MZKVUIMJSCJNKF-UHFFFAOYSA-N 265.360 3.997 30 20 CHED CCN(Cc1cc(C#N)ccn1)c1cc(C)cc(C)c1 1307535611 PDKPBOLXLNSXHL-UHFFFAOYSA-N 265.360 3.597 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(C)CC1 1318944304 DCQWDKPRKXEITR-LLVKDONJSA-N 289.404 3.612 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(C#N)s1 1319584574 YJDNTGMXCFIKPB-UHFFFAOYSA-N 299.403 3.543 30 20 CHED CCc1ccc([C@@H](NC(=O)CC#N)c2cccc(F)c2)cc1 1320371459 YHPRXYMMZOZREX-GOSISDBHSA-N 296.345 3.507 30 20 CHED C[C@@H]1CCCC[C@H]1OCc1nnc(-c2cccc(C#N)c2)o1 1322997881 XZGYNERFTWBTGN-IUODEOHRSA-N 297.358 3.704 30 20 CHED C=CCn1cnnc1S[C@H](C)c1ccc(F)cc1F 1323883915 XWRWBHUZQJVNPL-SECBINFHSA-N 281.331 3.596 30 20 CHED C=CCC(C)(C)c1nnc(-c2ccccc2OC)o1 1329310328 CCERMILPDTUTTC-UHFFFAOYSA-N 258.321 3.599 30 20 CHED N#CC1(CSCc2cccc3ncccc23)CC1 1329629150 HOFDCDCNWVKEKK-UHFFFAOYSA-N 254.358 3.772 30 20 CHED C=CCCc1ccccc1NC(=O)NC/C=C/C1CC1 1330762454 TWRTWDWPVWXVGU-VOTSOKGWSA-N 270.376 3.893 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(C)ccc1N1CCCC1 1331157972 OAYUMXBSCGWDSK-UHFFFAOYSA-N 286.419 3.537 30 20 CHED C=CCN(C(=O)Nc1ccccc1-c1nccs1)C1CC1 1345501263 VPZMOKDCDDOLTR-UHFFFAOYSA-N 299.399 3.992 30 20 CHED CC[C@@H]1CCc2ccccc2N1C(=O)c1csc(C#N)c1 1348238789 ICFXUVSSOYZOFQ-CQSZACIVSA-N 296.395 3.991 30 20 CHED C=C(CC(C)C)C(=O)N1CC2(CCC2)[C@@H]1c1cccnc1 1352412180 CPQDZQOMYSKPLI-INIZCTEOSA-N 284.403 3.738 30 20 CHED CCC[C@@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1355823285 NCGBBUUQDVZFCE-NVXWUHKLSA-N 284.403 3.723 30 20 CHED CC1(COC(=O)C2(c3cccc(C#N)c3)CC2)CCCC1 1357599021 NWUFLAIRHWJGCP-UHFFFAOYSA-N 283.371 3.713 30 20 CHED CC(C)CCN(C)c1nc(C(C)(C)C)ccc1C#N 1472664801 XFPKNSFRRFDHKF-UHFFFAOYSA-N 259.397 3.733 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1ncc(C#N)cc1C 1525453623 VRXDWQALEKUAOY-HOTGVXAUSA-N 299.418 3.598 30 20 CHED N#Cc1cccc2c1CCN2C(=O)c1ccc2ccccc2c1 1529509213 YLDQLKORGGVZIU-UHFFFAOYSA-N 298.345 3.914 30 20 CHED N#Cc1ccccc1SCc1cncc(Cl)c1 1559373370 IHEJKRGDIAARFB-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C[C@H](Sc1ccc(Cl)cc1C#N)c1cnccn1 1559379274 KXFFFKLFDNREMO-VIFPVBQESA-N 275.764 3.855 30 20 CHED CC1(C)CCC(C)(CNC(=O)Cc2cccc(C#N)c2)CC1 1583973453 IXXSQJTVFPBUMT-UHFFFAOYSA-N 298.430 3.823 30 20 CHED CSc1ccc(Cl)c(NC(=O)c2ccc(C#N)[nH]2)c1 1584364082 VUTCAPISPYMROM-UHFFFAOYSA-N 291.763 3.514 30 20 CHED C=C(C)CCC(=O)Nc1ccc(C(C)C)cc1C(=O)O 1588560069 ZXAORDWRIVMHCI-UHFFFAOYSA-N 275.348 3.803 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)O 1588749102 FYMXRNUZVZDGLW-QPUJVOFHSA-N 288.174 3.673 30 20 CHED CCC[C@H](C)CC(=O)Nc1cc(C#N)c(F)cc1F 1595653561 XXUJJGNTXHPEBM-VIFPVBQESA-N 266.291 3.601 30 20 CHED CCC[C@H]1CCCN1C(=O)c1cccc(SCC#N)c1 1603139602 BPJTXYLAERQLPK-AWEZNQCLSA-N 288.416 3.707 30 20 CHED N#CC1(CCCCNC2(CC(=O)O)CCCCC2)CCC1 1608175179 RTZHMHOPJUHURU-UHFFFAOYSA-N 292.423 3.618 30 20 CHED Cc1ccc2c(c1)CCN2[C@H](C)c1ccc(C#N)cc1 1617707208 FUVYLQRGNWUGOG-CQSZACIVSA-N 262.356 3.990 30 20 CHED N#Cc1cccc(C2(NC/C=C/c3cccc(F)c3)CC2)c1 1620933421 RPLHPLPDFOREKL-ZZXKWVIFSA-N 292.357 3.989 30 20 CHED COc1ccc(NC(=O)C[C@H](C)CC(C)C)cc1C#N 1624699337 ADSBHFZPNINLAF-GFCCVEGCSA-N 274.364 3.578 30 20 CHED C/C=C/c1ccc(Oc2ccnc(C#N)c2)c(OC)c1 1639147158 OBLKWXFWNUWAFU-ONEGZZNKSA-N 266.300 3.787 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CCCc3ccc(C)cc32)n1 1639988372 FXZRYFMVLHBEIG-INIZCTEOSA-N 292.386 3.709 30 20 CHED COCCN(Cc1ccc(C#N)cc1)C[C@@H](C)CC(C)C 1644524794 CQOGCWDRCVUHDY-INIZCTEOSA-N 288.435 3.689 30 20 CHED CC1(C)C[C@]1(CNc1ccc(C#N)cn1)c1ccccc1 1652068989 UXTXDHKOMLTLNS-SFHVURJKSA-N 277.371 3.733 30 20 CHED CCc1ccccc1COc1ccc(C#N)c(F)c1 1652661541 PVGOAZZOEDIVFV-UHFFFAOYSA-N 255.292 3.839 30 20 CHED C[C@H](NC(=O)Nc1sccc1C#N)[C@H]1CCC[C@@H](C)C1 1671449915 QURRDPBORYQWTA-WOPDTQHZSA-N 291.420 3.956 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCCC(C)(C)C1 1740800957 LLSIMTVYVYRIQQ-UHFFFAOYSA-N 296.846 3.780 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CC[C@H](C)[C@H]1CC 1749265669 WZURKXKTMVYULM-GXFFZTMASA-N 294.830 3.533 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)o1 57739132 ZCSLWHAXVPKCTE-PPGNKHEKSA-N 281.311 3.775 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(F)cc(F)c2)c1 55722732 ZAPGKPNKOQLMIF-UHFFFAOYSA-N 289.281 3.782 30 20 CHED CCCCCCCCNC(=O)c1ccc(OC)c(OC)c1 106664733 PPCZRRYXPYAMEM-UHFFFAOYSA-N 293.407 3.794 30 20 CHED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(C)n1C1CC1 116807819 XUQOTYUWTJYVKV-XIKOKIGWSA-N 299.418 3.642 30 20 CHED N#CC1(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)CCC1 107571895 YZILMBGLBGFEPB-SJORKVTESA-N 290.366 3.506 30 20 CHED CCOC(=O)[C@H](CC)S[C@@H](C)c1ccc(C#N)cc1 177370233 WPCTVYNNHBHLCL-FZMZJTMJSA-N 277.389 3.694 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccc(Cl)cc1 177873071 ILNRCNQPPMAJIW-JTQLQIEISA-N 269.797 3.976 30 20 CHED Cc1cc2ncn(Cc3ccc(C#N)cc3F)c2cc1C 10902747 BNDLOVRSVDPNPV-UHFFFAOYSA-N 279.318 3.712 30 20 CHED CCn1nccc1/C=C1\CCc2cc(SC)ccc2C1=O 178878966 YUBCFKCBZRAPQJ-JLHYYAGUSA-N 298.411 3.837 30 20 CHED C[C@H](CC#N)NC(=O)c1ccccc1Oc1ccccc1 64346070 GGDRAZXDEFDQGB-CYBMUJFWSA-N 280.327 3.511 30 20 CHED N#Cc1cccc(CN2CC[C@@H](Cc3ccccc3)C2)c1 172852883 XLJXEIOTQWJLIJ-IBGZPJMESA-N 276.383 3.623 30 20 CHED N#Cc1ccc(O)c(NC(=O)c2csc3ccccc23)c1 176392260 NFRLUKDCNKXPLH-UHFFFAOYSA-N 294.335 3.731 30 20 CHED C[C@H](OC(=O)/C=C/c1cccs1)c1ccc(C#N)cc1 175805297 RXYNUGNGXINGKV-BCPZQOPPSA-N 283.352 3.937 30 20 CHED C=CCCCC(=O)N(Cc1ccc(O)cc1)Cc1ccco1 175541223 QYBKQXIZJZKPRW-UHFFFAOYSA-N 299.370 3.870 30 20 CHED Cc1nscc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 179499207 IMSIJLUWICCGAO-UHFFFAOYSA-N 285.372 3.505 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CCCC[C@H]1F 413527552 BHGATABEVZSUTD-NXEZZACHSA-N 287.260 3.665 30 20 CHED N#Cc1cccc(NCCCSc2ccccc2)n1 301291433 UVSVWHYLWZXKDG-UHFFFAOYSA-N 269.373 3.548 30 20 CHED C=CCCCCCN(C)Cc1cccc(Cl)n1 173787713 SOFGGMQBXKIYLX-UHFFFAOYSA-N 252.789 3.913 30 20 CHED CCCC(CCC)SCC(=O)N[C@@](C)(C#N)C(C)C 64048093 VREZAGCFSCIPJQ-HNNXBMFYSA-N 284.469 3.743 30 20 CHED Cc1nnc(Nc2cccc(N(C)C(C)C)c2)c(C#N)c1C 301200649 MKBMFCIVXHUSIG-UHFFFAOYSA-N 295.390 3.553 30 20 CHED N#CC1(NC(=O)c2ccc(C3CCCCC3)cc2)CCC1 63477197 YRBYEGSDCAVSIE-UHFFFAOYSA-N 282.387 3.910 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc2ccccc2o1 178388938 XEYYOOUKBBAJKS-UHFFFAOYSA-N 276.295 3.865 30 20 CHED CCC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CCC1 179551014 OBSFDFNECQQJLZ-CYBMUJFWSA-N 276.767 3.601 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCC[C@@H](O)CC)cc1 128323789 IELBABMCOKEFDA-ZFWWWQNUSA-N 297.826 3.630 30 20 CHED CC1(C)[C@@H]2CN(c3c(C#N)cnc4ccc(Cl)cc34)C[C@H]21 301429534 FOLUKTVQAXEVJQ-ZIAGYGMSSA-N 297.789 3.852 30 20 CHED C=CCCCCCN(C)Cc1ccccc1C(=O)N(C)C 417776129 PINDVMWIUCURHP-UHFFFAOYSA-N 288.435 3.567 30 20 CHED CC[C@H](C)[C@H](O)CNc1c(C#N)cnc2c(C)cc(C)cc12 301384547 BTEVMSRYTYHNCJ-BLLLJJGKSA-N 297.402 3.542 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)cc1)c1ccccc1 60524851 UMFMUVPPNOBWHK-UHFFFAOYSA-N 264.328 3.613 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 128690609 NSPSVNYRMCUMOE-UONOGXRCSA-N 298.292 3.579 30 20 CHED CC[C@@H](C#N)OC(=O)CCCc1cccc(C(F)(F)F)c1 187529544 VWKQEXZRYXYALL-ZDUSSCGKSA-N 299.292 3.873 30 20 CHED Cc1cc(C)cc([C@H](C)Nc2ncccc2C#N)c1 301215266 ZOQSXEIVCAPMRK-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED Cc1cccc([C@H](C)C(=O)[C@H](C#N)c2nc(C)cs2)c1 123797926 YZPQUWZAHNFKNO-JSGCOSHPSA-N 284.384 3.740 30 20 CHED C=CCC1(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)CCC1 189607893 QEUXZVDLENEVGL-YESZJQIVSA-N 281.399 3.577 30 20 CHED CCCCCCCCN1[C@H]2CCC[C@H]1CC(N)C2 123901709 RNAMEVBSOBYICU-HOTGVXAUSA-N 252.446 3.691 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cccc(SC)c1 125928959 RGBCSUYANBHHNN-ZDUSSCGKSA-N 292.448 3.634 30 20 CHED N#Cc1ccc(OCCCO[C@H]2CCCCO2)c(Cl)c1 185074318 SNMWGLGWYCFYTO-HNNXBMFYSA-N 295.766 3.524 30 20 CHED N#Cc1cccc(SCc2cccc(OC(F)F)c2)n1 301846089 MLGYDTIRTGYKSC-UHFFFAOYSA-N 292.310 3.847 30 20 CHED Cc1cc(Cl)c(C(=O)N[C@](C)(C#N)C(C)C)cc1C 180364467 BIQLNKMHKAYBDI-OAHLLOKOSA-N 278.783 3.625 30 20 CHED C[C@@H](NCc1cccc(OCC#N)c1)c1ccccc1F 37764656 OFAGUQVZGPPXGN-CYBMUJFWSA-N 284.334 3.579 30 20 CHED CC(C)Oc1cccc([C@H](C)Nc2ccc(C#N)cn2)c1 76797364 PVBPJRMENKLWSN-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED Cc1nc(NCCCOC2CCCC2)c(Cl)cc1C#N 359885199 XHTBXXHHJXDHIR-UHFFFAOYSA-N 293.798 3.676 30 20 CHED C=CCCCN1CCC(OCC2CCCC2)CC1 434900421 MXMNUPARHOBMLD-UHFFFAOYSA-N 251.414 3.624 30 20 CHED CCN(C(=O)NC[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 182766899 RUHYMZOJGXUGJC-CHWSQXEVSA-N 299.374 3.685 30 20 CHED CC1(C(=O)N2CCc3cc(C#N)ccc32)CCCCCC1 416017131 TVSPKAFGZNXALH-UHFFFAOYSA-N 282.387 3.808 30 20 CHED N#Cc1cnc(Nc2ccc(OCC3CC3)cc2)c(F)c1 413147333 ZBMZZUDMXTZDOC-UHFFFAOYSA-N 283.306 3.625 30 20 CHED CCOC1CC(S[C@H](C)c2cccc(C#N)c2)C1 419461358 HLOCOYNGZVBOMA-VCANKDNSSA-N 261.390 3.920 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C1 488472145 XDGSBBJPGRNMEH-IAGOWNOFSA-N 288.460 3.973 30 20 CHED Cc1cc(CN2CCC[C@H]3CCC[C@H]32)ccc1C#N 488442267 TWJJKYQUTIJFAU-NVXWUHKLSA-N 254.377 3.631 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(Cl)n1 72692957 JFOQKNXCGNQKSZ-UHFFFAOYSA-N 279.815 3.887 30 20 CHED C=CCC[C@H](NC[C@H](C)c1ncc(C)s1)C1CC1 186779108 BYCVJWXCANJOJE-FZMZJTMJSA-N 264.438 3.889 30 20 CHED CCc1cccc2c(C3CCN(CCC#N)CC3)c[nH]c12 129049509 MKOZPBWMDMFYEI-UHFFFAOYSA-N 281.403 3.823 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc(OC(F)F)cc1 414171382 UVEODRIVRGWKLL-LLVKDONJSA-N 282.334 3.878 30 20 CHED C[C@H](N[C@H]1CCc2ccccc2C1)c1ccc(C#N)cc1 35256439 FXXYXZXIZABYDN-LIRRHRJNSA-N 276.383 3.766 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2ncco2)cc1 189084923 RGQBQVKUPXTMHZ-MRXNPFEDSA-N 270.332 3.882 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc(C)cc1C 410124636 KXBVDXOFCYOUBY-INIZCTEOSA-N 259.393 3.707 30 20 CHED C=CCCCC(=O)Nc1c(Cl)ccc(C(=O)OC)c1C 184177546 VQWNFMYIISBWHO-UHFFFAOYSA-N 295.766 3.730 30 20 CHED CC(C)C[C@@H]1CCN(c2snc(Cl)c2C#N)C1 75061138 QQKLQGQDFFGAME-VIFPVBQESA-N 269.801 3.541 30 20 CHED CC(C)OCCCC(=O)Nc1ccc(C(C)(C)C#N)cc1 181935776 RSFWZYWTGGRPNZ-UHFFFAOYSA-N 288.391 3.631 30 20 CHED N#CCC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 130431521 KGOITFZGXALRPQ-KRWDZBQOSA-N 295.342 3.729 30 20 CHED Cc1ccc(Sc2ncc([N+](=O)[O-])cc2C#N)cc1C 70790170 HMLBQDIYRBDAFG-UHFFFAOYSA-N 285.328 3.630 30 20 CHED CCCCN(C)CC1CCN(CC(C)(C)CCC#N)CC1 134177822 YPQXCJCEKOUGDV-UHFFFAOYSA-N 293.499 3.760 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 507179056 GTSPEWQYSQXELB-INIZCTEOSA-N 294.373 3.995 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](CC)OC1CCCC1 182651828 FLMHXRPEWXHWCJ-ZFWWWQNUSA-N 267.413 3.585 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 72945404 QHKVOKRFPNXJIL-LBPRGKRZSA-N 289.354 3.597 30 20 CHED N#CC1(C(=O)Nc2ccc(C3CC3)cc2)CCCC1 611307276 APJRSRWECIXISS-UHFFFAOYSA-N 254.333 3.586 30 20 CHED CCc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)s1 41543832 PXEYNTMESBSKDF-LLVKDONJSA-N 296.351 3.942 30 20 CHED Cc1ccccc1[C@H](NC(=O)NCC1(C#N)CCC1)C(C)C 419458953 DTLIHEDFNUAGKY-MRXNPFEDSA-N 299.418 3.685 30 20 CHED CCCCCCCCC(=O)O[C@H](C)c1nc(C)no1 130501296 USQKFYHZPQIRKG-LLVKDONJSA-N 268.357 3.733 30 20 CHED CC[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCS1 135263071 ADQDHUDPNDGIPD-HNNXBMFYSA-N 288.460 3.815 30 20 CHED Cc1cc(/C(O)=N/[C@@H]2CCCC[C@@H]2c2ccccc2)cnn1 329806238 NREPHKSIFLGZNT-IAGOWNOFSA-N 295.386 3.816 30 20 CHED C=CCCCCCN(C)Cc1ccc([N+](=O)[O-])cc1 610079887 CSISCJLXVOSVGJ-UHFFFAOYSA-N 262.353 3.773 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C2[C@H](C)CCC[C@H]2C)C1 328885149 NGLJXIAZYDRLOL-QCNOEVLYSA-N 266.385 3.523 30 20 CHED CCc1ccsc1C(=O)N(CCC#N)C(C)(C)CC 292425118 UFVKYDJTKWCAET-UHFFFAOYSA-N 278.421 3.855 30 20 CHED Cc1cccc2c1OCC[C@H]2/N=C(/O)c1ncoc1C1CC1 328981678 DSVZHALJHFGZMU-CYBMUJFWSA-N 298.342 3.689 30 20 CHED C=CCSCC(=O)N[C@@H](CC(C)C)c1ccccc1 44335239 XIOZLIFIJICPIP-HNNXBMFYSA-N 277.433 3.809 30 20 CHED N#CCC1(COc2ccc(F)c(Br)c2)CC1 137549088 NZMRLQUCMIEGMY-UHFFFAOYSA-N 284.128 3.661 30 20 CHED CSC[C@@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N 613429611 OMDWKKIWZBCHJJ-ZDUSSCGKSA-N 289.448 3.583 30 20 CHED CC[C@@H](C)CSc1ccc([N+](=O)[O-])cc1C#N 229057183 CCSDWZQMKDEEIW-SECBINFHSA-N 250.323 3.605 30 20 CHED CCC1(/N=C(/O)CC/C(O)=N/C2CCCC2)CCC1 328800247 YFAMKLHMEOZIIW-UHFFFAOYSA-N 266.385 3.955 30 20 CHED C=C(C)COC(=O)CCc1ccccc1Br 195682003 YZSKBEYNHIPQBL-UHFFFAOYSA-N 283.165 3.501 30 20 CHED CC[C@@H](C#N)Oc1cc(CNCCC(C)C)ccc1OC 190754530 XTJSWSREBFLTEH-HNNXBMFYSA-N 290.407 3.512 30 20 CHED C=CCCC(=O)CSc1ccc(OCC)cc1 134693134 FWDQGCANRKKDGF-UHFFFAOYSA-N 250.363 3.713 30 20 CHED CC[C@@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 41557155 UPIMAFCPKITYAH-NXEZZACHSA-N 291.301 3.654 30 20 CHED C#CCCCC(=O)N(CC)c1ccc2ccccc2c1 192242427 BZECGMZTVXEMLL-UHFFFAOYSA-N 265.356 3.996 30 20 CHED N#Cc1ccc(Oc2ccccc2C#N)cc1Br 228199895 JDESYGJELVCBRT-UHFFFAOYSA-N 299.127 3.985 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cc(C)nc(C)c1 420852814 SPKYTNHLRUGLJJ-UHFFFAOYSA-N 289.423 3.586 30 20 CHED Cc1nc2cc(N=C(O)[C@H]3CCC(=O)[C@H](C)C3)ccc2o1 328910704 FUAQLKUCJWMMEJ-KOLCDFICSA-N 286.331 3.730 30 20 CHED C=CCNC(=O)c1ccccc1SCC=C(C)C 130630809 OXOXMQJPGDKRMV-UHFFFAOYSA-N 261.390 3.661 30 20 CHED Cc1ccc(C(=O)/C=C/c2nccn2-c2ccccc2)o1 191257497 ZTJGZYXWOSWPKG-CSKARUKUSA-N 278.311 3.670 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc(-c2ccccc2)co1 425299027 XZOYMNMKFHXLSW-UHFFFAOYSA-N 270.332 3.882 30 20 CHED Cc1ccnc(NC2CC(C)(c3ccccc3)C2)c1C#N 513083422 PBGUUBHXIHWIHU-UHFFFAOYSA-N 277.371 3.794 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 424836199 CAOOBYNZNNHINQ-CTYIDZIISA-N 275.367 3.790 30 20 CHED C=CCC1(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CCC1 191099408 HPWRKMOZKNPZFQ-UHFFFAOYSA-N 287.388 3.823 30 20 CHED CCCCCCCCNc1nc(C)ccc1C(=O)O 147331378 DCUKPCUDHZNJCG-UHFFFAOYSA-N 264.369 3.861 30 20 CHED C=C(C)CNC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 429322172 IPKHLUDUJCGTOP-UHFFFAOYSA-N 274.364 3.613 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CC2(CCC2)C1 335376257 OVXBPWJJMIOILN-ZDUSSCGKSA-N 282.387 3.658 30 20 CHED C[C@@H]1CSC(S[C@H](C#N)C2CCCCC2)=N1 89523009 BKZPGLPRBZTKCK-MWLCHTKSSA-N 254.424 3.683 30 20 CHED C[C@H](C(=O)Nc1ccc(F)cc1C#N)c1cccc(F)c1 335286958 CGOATHWIFBEMPI-JTQLQIEISA-N 286.281 3.579 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2F)C1 193311188 URCHXXQNJGXJCK-ZWNOBZJWSA-N 266.747 3.651 30 20 CHED N#Cc1ccc(CN(Cc2ccc(Cl)o2)C2CC2)cc1 339415471 UHFGTYOOWNYDKB-UHFFFAOYSA-N 286.762 3.969 30 20 CHED C#CCCOc1ccc(CNc2ccc(COC)cc2)cc1 195461415 NKTFLRBDTCKETK-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@H](C)C#N 335844694 LRIMGFNKNIWIJD-BDAKNGLRSA-N 297.185 3.599 30 20 CHED N#C[C@H]1CC[C@H](N2CCc3cc(-c4ccccc4)oc3C2)C1 334359834 XHIRJKPOFXFFLU-YOEHRIQHSA-N 292.382 3.997 30 20 CHED N#Cc1cccc(C(=O)Nc2c(F)cc(Cl)cc2F)c1 180354083 ICGUQESUCLDRPU-UHFFFAOYSA-N 292.672 3.742 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1cccc(O)c1 96462924 JYFUKVJDNKXALS-HJWRWDBZSA-N 278.307 3.607 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1cc(Cl)ccc1Cl 538194767 LKUTZFSQHJDDRB-WDEREUQCSA-N 288.218 3.829 30 20 CHED C#Cc1cccc(N[C@@H](C)Cc2ccc(OC)c(OC)c2)c1 237237900 FQYYCDMKGSVXSU-AWEZNQCLSA-N 295.382 3.728 30 20 CHED C[C@@H]1CCC[C@@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 339994826 NYJSXLRIZZSQDN-HYVNUMGLSA-N 284.403 3.626 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)c2ccccc21 331729675 PPVUDNNYXHWCFW-NVXWUHKLSA-N 293.370 3.501 30 20 CHED CC(C)CCC[S@](=O)CCCCC(C)(C)C#N 435429593 YCGVMBYVSLXPNW-QGZVFWFLSA-N 257.443 3.891 30 20 CHED CCN(Cc1ccccc1OC1CCCC1)C[C@H](C)C#N 91982504 ISZYHGFNIVTABW-OAHLLOKOSA-N 286.419 3.990 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1c(C)cccc1C 336327978 UEKWDXWFGCDDFK-AWEZNQCLSA-N 258.365 3.876 30 20 CHED CCN(Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H](C)C#N 91983583 ADTKDIKMGLTZPF-JTQLQIEISA-N 288.288 3.826 30 20 CHED C=CCN(CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 524893367 PDJFYKLEXVNYNZ-HUUCEWRRSA-N 251.414 3.622 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(CCC)c(C)s1 523962834 DIDVSGHFMSSLMS-SNVBAGLBSA-N 251.395 3.703 30 20 CHED Cc1cc(C)c([N+](=O)[O-])c(OCCCCC(C)(C)C#N)n1 436182316 GSOKQKMZDAILJL-UHFFFAOYSA-N 291.351 3.706 30 20 CHED N#Cc1ccc(NCCCOc2ccccc2)c(F)c1 52092472 HISNHWWNBILKNY-UHFFFAOYSA-N 270.307 3.578 30 20 CHED C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)C[C@H]2C)c1 607205027 OCSVSFUDRCIBOX-UONOGXRCSA-N 288.391 3.904 30 20 CHED Cc1cc(-c2nc3c(F)cccc3[nH]2)ccc1C#N 435700143 FAGCOCDVQWKIRQ-UHFFFAOYSA-N 251.264 3.549 30 20 CHED N#CCCCSCc1ncccc1C(F)(F)F 432251109 QHFAZWYAUDVENE-UHFFFAOYSA-N 260.284 3.637 30 20 CHED N#C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C1CC1 601068913 GYUQHHUDHONPCJ-LLVKDONJSA-N 263.753 3.611 30 20 CHED C=CCCCN(C)C(=O)Cc1cc(Cl)ccc1Cl 522965418 YZSPAHZYZRIPEL-UHFFFAOYSA-N 286.202 3.961 30 20 CHED CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ccc(C#N)cc1F 609823412 XRAHFKVYDCHWGI-CJNGLKHVSA-N 290.382 3.951 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CC1=CCCCC1 348858240 ZTCJUQRECJDZGM-UHFFFAOYSA-N 283.375 3.819 30 20 CHED COc1cccc(C(C)(C)CNC[C@@H](C)CCC#N)c1 602572594 RLRRTNDOGWTSLC-AWEZNQCLSA-N 274.408 3.502 30 20 CHED CC(C)c1cccc2c1CCN(c1cc(C#N)ccn1)C2 343213974 GUJBZCPCVSEDKV-UHFFFAOYSA-N 277.371 3.639 30 20 CHED N#Cc1ccc(CN2Cc3cccc(Cl)c3C2)cc1F 347439756 FVJXMKTVEBPRHQ-UHFFFAOYSA-N 286.737 3.867 30 20 CHED CCN(Cc1cccc(F)c1)c1nccc(C#N)c1Cl 341429320 KCVNCCLCYRNRNT-UHFFFAOYSA-N 289.741 3.772 30 20 CHED C[C@H]1CN(Cc2cc(C#N)ccc2F)CC(C)(C)C1 543182051 NFUNXMGACMALNJ-GFCCVEGCSA-N 260.356 3.565 30 20 CHED CC(C)c1cccc(C(=O)Nc2ccccc2CC#N)n1 344341188 XRFKXQJBYLSSEH-UHFFFAOYSA-N 279.343 3.523 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)NCCCC#N 344003674 YXDQSRONOBMPHI-INIZCTEOSA-N 287.407 3.685 30 20 CHED Cc1ncc(CSCc2ccc(CC#N)cc2)s1 342552396 DRVRVJRWYNXLPR-UHFFFAOYSA-N 274.414 3.951 30 20 CHED C=C(C)CN(C)Cc1cnc(-c2ccccc2F)s1 449227136 OWWSEKDNNXCOBC-UHFFFAOYSA-N 276.380 3.957 30 20 CHED C=CCCN(CC)CCOc1ccc(Br)cc1 525121975 NNICWJPENRTOJG-UHFFFAOYSA-N 298.224 3.726 30 20 CHED COc1ccc(Br)c(NC[C@H](C)CCC#N)c1 602497923 XXCJONJQJBFEFR-SNVBAGLBSA-N 297.196 3.809 30 20 CHED C=CCC1(C(=O)N(CC)C[C@@H](C)C#N)CCCCC1 448722152 ASJHOKNTCLHGTQ-AWEZNQCLSA-N 262.397 3.521 30 20 CHED CC[C@@H](NC(=O)c1sccc1C#N)C1CCCCC1 604570149 LPFIRNPSYSJHEO-CYBMUJFWSA-N 276.405 3.708 30 20 CHED N#CC1CCN(C/C=C\c2ccc(Cl)cc2)CC1 255734437 MUKODBIYEVTILI-UPHRSURJSA-N 260.768 3.589 30 20 CHED C=C(C)[C@H](Cc1nc(C2(CC)CCCC2)no1)OCC 445786028 URPCSQMZRDWSHL-ZDUSSCGKSA-N 278.396 3.815 30 20 CHED C[C@@H](CCC#N)CN(Cc1c(F)cccc1F)C1CC1 602634369 OPWYPJPRXHVRBW-LBPRGKRZSA-N 278.346 3.869 30 20 CHED C=CCCC(=O)Nc1ccccc1-c1ncc2n1CCCC2 355391065 OEZUEUJDINVBHK-UHFFFAOYSA-N 295.386 3.791 30 20 CHED CCOc1ccc(CNc2nc(C)cc(C)c2C#N)cc1 357252444 DBHLQHUGEUFJFY-UHFFFAOYSA-N 281.359 3.581 30 20 CHED CC[C@H](C)n1c(SCCC#N)nnc1-c1ccccc1 355907813 XCVZKDHUUAKPAA-LBPRGKRZSA-N 286.404 3.922 30 20 CHED CSC1CCN(c2c(C#N)cnc3ccc(C)cc23)CC1 601206901 LSVUTTNBFCCVHF-UHFFFAOYSA-N 297.427 3.747 30 20 CHED CCC(CC)[C@H](C)C(=O)N(C)c1cccc(C#N)c1 536380611 ARTAIPRYJSJLBW-LBPRGKRZSA-N 258.365 3.593 30 20 CHED N#Cc1cccc(-c2nnc(CSCc3ccco3)o2)c1 357997361 ZYHKGOKUWAGEGX-UHFFFAOYSA-N 297.339 3.635 30 20 CHED CCN(CCC#N)Cc1cnc(CCc2ccccc2)s1 449009466 ILSGXABTZOCOAK-UHFFFAOYSA-N 299.443 3.664 30 20 CHED N#Cc1ccc2nc(N3CCc4ccsc4C3)ccc2c1 538980865 VHTBBVVENUILHJ-UHFFFAOYSA-N 291.379 3.731 30 20 CHED C=CCOc1ccc(C(=O)N2CCC(F)(F)C[C@@H]2C)cc1 530012348 DQHJAHGQYSVQSS-LBPRGKRZSA-N 295.329 3.511 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CC#N)cc1C(F)(F)F 600000493 BFIZOZWBACEZDG-UHFFFAOYSA-N 298.308 3.684 30 20 CHED C[C@@H](N(C)Cc1ccc(Cl)cc1C#N)C1(C)CC1 359897230 JDPHKHUORBTIRP-LLVKDONJSA-N 262.784 3.832 30 20 CHED C=CC1CCN(C(=O)Nc2nc(C3CCC3)cs2)CC1 442047604 IUZPOGXMHNSSJT-UHFFFAOYSA-N 291.420 3.841 30 20 CHED C=CCOc1cccc(CN(C)Cc2cccc(C)n2)c1 353748375 RKXQERYBWFWOFN-UHFFFAOYSA-N 282.387 3.587 30 20 CHED C=CC[C@@H]1N(C(=O)NC2CCSCC2)CCCC1(C)C 445008196 HWEQXQFSMHKDPK-AWEZNQCLSA-N 296.480 3.658 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccc(OC)c(C)c2)CC1 355633510 JFRDIFYISVOOJJ-UHFFFAOYSA-N 287.403 3.708 30 20 CHED COCc1ccccc1/C=C(\C)CNCCCCC#N 352435716 SIZDTQNDXDSFAK-NTCAYCPXSA-N 272.392 3.520 30 20 CHED CCC[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 610707730 FIAOKTLHEDZEQF-HUUCEWRRSA-N 299.418 3.841 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CCc2ccco2)CCCC1 449094200 QWUISLFDNMAZSZ-AWEZNQCLSA-N 275.392 3.853 30 20 CHED CCc1ccc(CN(C)Cc2ccc(C#N)cc2)s1 535785558 JGHCOYUDTYRADQ-UHFFFAOYSA-N 270.401 3.814 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C(=O)O)cc1 263461573 IXGYFPZWPRQWQI-UHFFFAOYSA-N 288.391 3.537 30 20 CHED N#Cc1ccsc1C(=O)NCc1cc2ccccc2s1 352455980 KLJWAGATTIGUPX-UHFFFAOYSA-N 298.392 3.764 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2cccc(CC#N)c2)CC[C@H]1C 456746812 IKJNYOCFZWAQHD-VNHYZAJKSA-N 270.376 3.763 30 20 CHED Cn1cc(CNc2ccc(-c3ccco3)cc2F)cc1C#N 362954462 LGIDFFPVHHAFRZ-UHFFFAOYSA-N 295.317 3.908 30 20 CHED C=C(C)COc1cc(CN2CC[C@@H](CC)C2)ccc1OC 537688315 SQSUMTGRBWMNOE-OAHLLOKOSA-N 289.419 3.882 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(C)c1ccccc1C#N 534890982 CDGHWSYXTODUAS-GFCCVEGCSA-N 258.365 3.593 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2ccc(OC(F)F)cc2)C1 618562186 FNBIGHZWVRZXLK-KBPBESRZSA-N 294.345 3.502 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1ccc(C#N)s1 362948266 GWALZCYKSOYARL-UHFFFAOYSA-N 286.356 3.659 30 20 CHED CC(C)CN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)C(C)C 618848532 XXVCFUWKRHBCBW-KRWDZBQOSA-N 299.418 3.622 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCC[C@](C)(C#N)C1 612125345 PLCTYXRWAPAMKH-BFYDXBDKSA-N 291.439 3.538 30 20 CHED Cc1cc(C)cc(C2(c3noc([C@]4(C#N)C[C@H]4C)n3)CC2)c1 453304092 FREKSZDMHYUYQB-ACJLOTCBSA-N 293.370 3.568 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1c1ccccc1C 455312302 OQOIJZQSOFMVHO-MRXNPFEDSA-N 272.392 3.808 30 20 CHED CC(C)[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 614816144 SVYTWIMAZKIUFR-YOEHRIQHSA-N 299.418 3.697 30 20 CHED CC(C)(CC#N)CNC(=O)c1cccc(C2CCC2)c1 458041335 LHSVJFFTDDGHOC-UHFFFAOYSA-N 270.376 3.624 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@H]1CC12CCC2 610739128 AOQJITWXJPUWLU-GFCCVEGCSA-N 286.400 3.821 30 20 CHED C=CCOCCCC(=O)Nc1ccc(/C=C/C)cc1 360320786 WLUHOQOMHAKETD-ZZXKWVIFSA-N 259.349 3.641 30 20 CHED N#CCCN(Cc1ccccn1)CC1CCC(F)(F)CC1 459339926 HXSLSYVFYDVUPQ-UHFFFAOYSA-N 293.361 3.623 30 20 CHED C=C(C)COc1cc(CNc2cnoc2C)ccc1OC 274402603 YEBKNKDRLAXWEX-UHFFFAOYSA-N 288.347 3.559 30 20 CHED C=CCC1(C(=O)N2CC[C@H](COc3ccccc3)C2)CCC1 276804052 LBTVJSKZFPHBPR-INIZCTEOSA-N 299.414 3.660 30 20 CHED C=C(C)COCCN[C@@H]1CCC[C@H]1c1ccccc1 540163068 KPXLTXHYXBNXKT-DLBZAZTESA-N 259.393 3.505 30 20 CHED C[C@H](C#N)Oc1ccccc1NC1CC(OC(C)(C)C)C1 272621869 YIIJCGNWYWWKMO-IYXRBSQSSA-N 288.391 3.735 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1 459774472 UEWHWUXPISTYGG-HYVNUMGLSA-N 257.377 3.530 30 20 CHED CC#CCCCC(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 452399857 RIAXKZBYGPWJBK-QZTJIDSGSA-N 283.415 3.880 30 20 CHED COc1ccccc1CC(C)(C)Nc1nccc(C)c1C#N 542279705 ARXNAGCMWGBTLO-UHFFFAOYSA-N 295.386 3.704 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCO[C@@]2(C[C@H]3CC[C@H]2C3)C1 366901638 UWTWQRCISOCBKS-XIVBQZFQSA-N 296.414 3.510 30 20 CHED CCC[C@@]1(C(F)(F)F)CCCN1Cc1cc(C#N)n(C)c1 361580329 XFKMTTJQKZAZSR-AWEZNQCLSA-N 299.340 3.594 30 20 CHED C=CCCN(C)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 278845594 RYEVIMQUESEOJD-CYBMUJFWSA-N 270.376 3.696 30 20 CHED Cc1ccc2c(CC(=O)N[C@@](C)(C#N)C(C)(C)C)coc2c1 545919818 WRGVHGNHCRDBHI-SFHVURJKSA-N 298.386 3.728 30 20 CHED CC(C)c1ccc(CN(C(=O)NCCCC#N)C2CC2)cc1 273117599 BXZZKTAKQWCBFC-UHFFFAOYSA-N 299.418 3.788 30 20 CHED CCCN(CC(C)C)C(=O)Nc1cnc(C#N)c(Cl)c1 455798430 WUSGVDAJVYMSPQ-UHFFFAOYSA-N 294.786 3.507 30 20 CHED C=CCC1(C(=O)N(C)CC[C@H]2CCCO2)CCCCC1 451059943 VLDSMSGAJVCFBQ-OAHLLOKOSA-N 279.424 3.541 30 20 CHED CC(C)[C@H]1C[C@H](/N=C/c2cc3ccccc3nc2O)CCO1 271313727 MMEXKSFZLXUCIC-SZCPIXPSSA-N 298.386 3.563 30 20 CHED N#Cc1c(F)cccc1N1CCC(Cc2cccnc2)CC1 373164874 OFIMNQCRAMZZIC-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 467733641 XWCGMGDCAYNYQA-VRKREXBASA-N 261.409 3.696 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2[C@@H]3Cc4ccccc4[C@H]32)n1 624633582 OZOJDCCINGXCOK-RBSFLKMASA-N 280.371 3.977 30 20 CHED C=CCCN(C)Cc1cnc(-c2cccs2)s1 467393281 ZLCZQQUKVRHSKP-UHFFFAOYSA-N 264.419 3.880 30 20 CHED C=CCSCCOc1ccc(OC(F)(F)F)cc1 467538770 AMCGVJBXTNSGDV-UHFFFAOYSA-N 278.295 3.883 30 20 CHED C=C[C@H](C)NC(=O)C1(c2cccc(C)c2)CCCCC1 465152166 RGDNGGCTYCVWQU-HNNXBMFYSA-N 271.404 3.888 30 20 CHED Cc1ccc(NCCOc2cccc(C#N)c2)cc1C 462219330 MJIDOAMWPHVDEV-UHFFFAOYSA-N 266.344 3.666 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(F)c1)c1cccc(F)c1 464631078 AAPKYEGOGCSURZ-JTQLQIEISA-N 286.281 3.579 30 20 CHED C=CCCO[C@H](C)c1nc([C@H]2Cc3ccc(F)cc32)no1 632217283 WSHBMHBTNKBLMA-YGRLFVJLSA-N 288.322 3.550 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 281216123 CSTWYNODFCSOES-ZBFHGGJFSA-N 290.382 3.679 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)nc1 285737018 GVSHLHFNBUVYCR-JTQLQIEISA-N 285.265 3.508 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@@H]2CCCC[C@@H]2C)no1 289261034 YKEHSMUKTYARRQ-JOYOIKCWSA-N 271.320 3.803 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc3nccnc23)n1 551145721 UNWFVBITQROCBU-UHFFFAOYSA-N 280.331 3.534 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2ccc(F)cc2F)CCC1 466534120 MWXHSBJEUDDUSR-CYBMUJFWSA-N 293.357 3.857 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 284985882 MJKJUUCZGHNSNV-IINYFYTJSA-N 298.308 3.822 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@H](CC1CCCCC1)C(C)C 464298928 XBPGOVQFWPPNBH-CVEARBPZSA-N 278.440 3.893 30 20 CHED CC#CCCN1CCC[C@@H](COc2ccccc2Cl)C1 462337041 RPBBZGSJMOQSCN-OAHLLOKOSA-N 291.822 3.844 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N(C1CC1)C1(C#N)CCC1 551283723 VZXNEYMESKSKCZ-ZDUSSCGKSA-N 276.424 3.886 30 20 CHED N#CCCCCNC(=O)c1ccccc1NC1CCCCC1 479961772 JLTQVXOVWZLACL-UHFFFAOYSA-N 299.418 3.855 30 20 CHED C#Cc1ccc(CNC[C@H]2CCC3(CCCCC3)O2)cc1 809652861 NYAUEXBZPDKRRK-GOSISDBHSA-N 283.415 3.639 30 20 CHED COc1cc(CN2CC[C@@H](c3ccccc3)C2)ccc1C#N 389090844 JSDYDOYIHYXBMN-GOSISDBHSA-N 292.382 3.556 30 20 CHED C=CCCCN[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC 556880634 PDWYAWAMQICKLE-KZNAEPCWSA-N 273.420 3.894 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C=C(C2CC2)C2CC2)cc1 809256944 FGLOTZAXDZOMPE-GOSISDBHSA-N 294.398 3.676 30 20 CHED CC#CCCNC(=O)N(c1ccccc1)c1ccccc1 476518606 XVFIUTDFNMVWII-UHFFFAOYSA-N 278.355 3.948 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)c(F)c1 1348563665 MSHQVGFGRUXFQF-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](CC)c1ccc(C)cc1 809931415 LBLMWGWCCTYOQY-IBGZPJMESA-N 291.394 3.786 30 20 CHED CC(C)c1nc(CN2CCC(C)(C#N)CC2)c2ccccn12 568034206 LQJMQSYYQKXBCG-UHFFFAOYSA-N 296.418 3.583 30 20 CHED CCOc1ccc(/C=N\[C@@H]2c3ccccc3O[C@H]2C)c(O)c1 809144517 NYWSJAWOTRSNRT-ZIHNTUSZSA-N 297.354 3.732 30 20 CHED CCCCCCOC(=O)c1cc(C#N)ccc1Cl 803831084 CIZHRFXGGDTFNS-UHFFFAOYSA-N 265.740 3.949 30 20 CHED C=CC[C@@H](C)NCc1cn(CC)nc1-c1ccccc1 641728386 RIUNVRQCNVBOMG-CQSZACIVSA-N 269.392 3.624 30 20 CHED CC#CCN(C)[C@H](C)c1ccc(OC(F)(F)F)cc1 645262137 HKGWGWROOBTMOK-LLVKDONJSA-N 271.282 3.601 30 20 CHED Cc1ccnc(Nc2ccc([C@@H]3CCOC3)cc2)c1C#N 292804991 NOOOBRPORMXYKF-CQSZACIVSA-N 279.343 3.509 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2O)c(C)c1OC 806573161 GCGZZEGIYGVZGV-CSKARUKUSA-N 298.338 3.614 30 20 CHED CC(C)(C#N)CNC(=O)NC1CCC(c2ccccc2)CC1 478449432 MAIGRMYOPZMRHA-UHFFFAOYSA-N 299.418 3.562 30 20 CHED C#Cc1cccc(NC(=O)N(C)C2CCC(F)(F)CC2)c1 806183294 CONJBPURVNOULT-UHFFFAOYSA-N 292.329 3.710 30 20 CHED CON(CC(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 806134723 BCRHYYVTDBVPMW-UHFFFAOYSA-N 295.770 3.653 30 20 CHED CCC[C@H](OC)c1noc(/C=C/c2ccccc2C#N)n1 296500702 QAMZXJKYPMPTAJ-HBWSCVEGSA-N 283.331 3.599 30 20 CHED C#Cc1ccc(CNC2(c3nc(C)cs3)CCCC2)cc1 290200666 CXRJCUSASGSQDT-UHFFFAOYSA-N 296.439 3.992 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H](C)C(F)(F)F 477512491 DELYZFUPVNDRMD-LLVKDONJSA-N 280.334 3.573 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1cccc(OC)c1F 560630885 YDANNEGYBUAJRW-ZDUSSCGKSA-N 293.382 3.628 30 20 CHED C[C@H](C#N)OCCSCCCc1ccccc1Cl 802753216 XOJJYLHSZUNSAG-GFCCVEGCSA-N 283.824 3.934 30 20 CHED C=CCOCCCC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 568922272 HSXSQZNMUOVROO-CABCVRRESA-N 281.440 3.642 30 20 CHED C=C(CNC(=O)N1CCC2(CCCC2)C1)c1ccccc1 807578530 CTKGYBKZURMEEI-UHFFFAOYSA-N 284.403 3.676 30 20 CHED Cc1cc(N2C[C@H](c3ccccc3C)C[C@@H]2C)cc(C#N)n1 566578338 LXOPXTPLUBYGCT-JKSUJKDBSA-N 291.398 3.953 30 20 CHED C#C[C@@H](NCc1ccc(OC)c(OCCC)c1)C(C)(C)C 809781844 BXJQDKFJZLJWRU-QGZVFWFLSA-N 289.419 3.622 30 20 CHED C=CCN1CCC(NCC[C@H](C)CCC=C(C)C)CC1 482254726 IXZUIHNOKRVZJD-QGZVFWFLSA-N 278.484 3.999 30 20 CHED CC1(C)CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 563689230 FUJHCIGZMPBNSR-IXDOHACOSA-N 296.414 3.747 30 20 CHED CN(C)c1ccc(OCc2ccc(Cl)cc2C#N)cc1 810001661 JJYQZJDQECNBBX-UHFFFAOYSA-N 286.762 3.857 30 20 CHED C=CCCCCn1cnc2cc(F)c(Cl)cc2c1=O 564960468 FWZKTTJLEXZWST-UHFFFAOYSA-N 280.730 3.545 30 20 CHED CCCOc1cccc(C=NOC/C=C\Cl)c1 811671265 PPJXLNMEBYTUFH-IMURNZGBSA-N 253.729 3.578 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(SCC)cc1 488816395 MTGQOPJJZZTUJN-CQSZACIVSA-N 275.417 3.979 30 20 CHED c1ccc(C[C@@H]2CCC(=NNCCc3ccncc3)C2)cc1 814924328 KIXDANNBMNVUME-SFHVURJKSA-N 293.414 3.613 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(C(=O)O)c(Cl)c1 659802419 WNCSUHHNTLHCOA-BETUJISGSA-N 291.778 3.721 30 20 CHED CC[C@H]1CCCC[C@@H]1NCC#Cc1ccc(F)cc1 481172484 IQHNSSZXAMCDLF-RDJZCZTQSA-N 259.368 3.736 30 20 CHED C=C[C@H]1CCCCN1CCCOCCc1ccccc1 489469434 BDYWUVINGUJKMU-SFHVURJKSA-N 273.420 3.676 30 20 CHED CC(Cc1ccc(Cl)cc1)=NOCCOC(C)C 812239221 QKJOSJYFPHHEKM-UHFFFAOYSA-N 269.772 3.700 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C#N)s2)c1 486649363 GQXHFSPJEUSSSJ-OAHLLOKOSA-N 296.395 3.906 30 20 CHED C#CCCCN[C@H](CC)c1ccc(C(F)(F)F)cc1O 810219178 GKAIGLRBTXNAHR-CYBMUJFWSA-N 285.309 3.865 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H]1CCCCC 489340058 OBFPFWMCCRIFEL-OAHLLOKOSA-N 267.413 3.541 30 20 CHED Cc1ccc(F)c(C=NNc2ccc(F)c(F)c2F)c1 814946711 UYOVIKQYEYNWGQ-UHFFFAOYSA-N 282.240 3.997 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCC(=O)[C@H](C)C1 811589924 LUNKJKDNTCWVRV-HUUCEWRRSA-N 279.424 3.635 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)c1ccc(CC#N)cc1 487233141 OQGXRZIWEPFWOO-AWEZNQCLSA-N 284.403 3.841 30 20 CHED CC1=CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 489637951 YPQNYBHVKMFJJK-UHFFFAOYSA-N 296.395 3.874 30 20 CHED C#Cc1cncc(C(=O)N(CCCC)[C@H]2CCC[C@H](C)C2)c1 818802379 NBPKEGABJWICGH-YJBOKZPZSA-N 298.430 3.884 30 20 CHED Cc1cc(/C=C2/Cc3ccc(C#N)cc3C2=O)cnc1Cl 811694628 SBULWHASLRBIGQ-RZNTYIFUSA-N 294.741 3.738 30 20 CHED C#CCOc1cccc(Cl)c1CNCc1occc1C 813791128 USOCRXWEPDEDDT-UHFFFAOYSA-N 289.762 3.543 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C=NOC)cc2)n1 815706017 MKKIYBMOQYVUKM-UHFFFAOYSA-N 285.347 3.571 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@@H](F)C2)cc1C(F)(F)F 572694393 IIEQJKUTUSXGGQ-ZJUUUORDSA-N 272.245 3.880 30 20 CHED Cc1ccoc1COC(=O)c1ccccc1SCC#N 816104490 RPMTTYUVVNBZDI-UHFFFAOYSA-N 287.340 3.561 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(CN(C)C)cc1 814687664 QBVOKDGVOVKAKH-UHFFFAOYSA-N 281.403 3.893 30 20 CHED Fc1ccccc1NN=Cc1cccc2cccnc12 818275604 VFBJYKBRLFYSEQ-UHFFFAOYSA-N 265.291 3.820 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2ccc(F)c(C#N)c2)cc1 486721993 IYRPQVAOCXPWPT-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED CC(=NNc1ncnc2sccc12)c1ccc(C)cc1 725818273 IRTZNNLGYBNXQC-UHFFFAOYSA-N 282.372 3.836 30 20 CHED C=CCn1cccc1C(=O)N1CCCC[C@H]1CC(C)C 489039898 KLBLFQRYHYXZSB-HNNXBMFYSA-N 274.408 3.715 30 20 CHED CCO[C@@H](CC)C(=O)Nc1cc(C(C)(C)C)sc1C#N 576566590 BYDJBXLPXGRZAO-NSHDSACASA-N 294.420 3.671 30 20 CHED Cc1ccccc1C1(C/N=C\c2cccc(O)c2O)CC1 726429240 LURZMHVTWPAMOZ-ODLFYWEKSA-N 281.355 3.557 30 20 CHED Cc1ncc2c(n1)CCC[C@@H]2Nc1cccc(Cl)c1C#N 827635712 MIQLWHZQDMFASP-INIZCTEOSA-N 298.777 3.800 30 20 CHED CCCc1sc(C(=O)N(C)CC(C)(C)C#N)cc1CC 497356827 CAWJJLWWSHGYSQ-UHFFFAOYSA-N 292.448 3.885 30 20 CHED C=CCC1(NC(=O)Nc2cc(C)cc(C)c2)CCOCC1 665154122 GONIJLZBSOETDN-UHFFFAOYSA-N 288.391 3.550 30 20 CHED CCCSCC(C)=NNc1cccc(C(=O)OC)c1F 901249152 RWHNWRYIWRFXLE-UHFFFAOYSA-N 298.383 3.543 30 20 CHED C=CCCC(=O)OCCCOc1ccc(Cl)cc1 726650556 QOSGRYZJZMVEDZ-UHFFFAOYSA-N 268.740 3.618 30 20 CHED C/C(=C/C(=O)OC(C)(C)C#N)c1ccccc1OC(F)F 588402353 FMZXUECWOGREPJ-NTMALXAHSA-N 295.285 3.537 30 20 CHED Cc1cc(Cl)ccc1NN=C1CCCOCC1 905511824 UNDYEXNHCCJJSE-UHFFFAOYSA-N 252.745 3.617 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](CC)CC[C@@H]1C 661123478 OQTHQWOMESMJBH-IHRRRGAJSA-N 252.402 3.561 30 20 CHED CC(C)CN(C(=O)C#Cc1cccs1)C1CCCC1 825499060 WLMSQSIKUGGTNX-UHFFFAOYSA-N 275.417 3.527 30 20 CHED C=C(C)C[C@@H](N[C@@H](C)CCC1CCCCC1)C(=O)O 901678557 HBQRFVKRJPYKRN-DZGCQCFKSA-N 267.413 3.744 30 20 CHED N#CCOc1cccc(/C=C\c2nc3ccccc3o2)c1 730150866 FMXSHUYIAKQSGX-HJWRWDBZSA-N 276.295 3.901 30 20 CHED C=CCC1(NC[C@H](C)c2cc(F)cc(F)c2)CCOCC1 668551379 LPACCTUPSAGHHZ-ZDUSSCGKSA-N 295.373 3.783 30 20 CHED Cn1cccc1[C@@H]1CCCCCN1C(=O)C#CC(C)(C)C 837327089 WKGJXJCRJJJDGH-INIZCTEOSA-N 286.419 3.518 30 20 CHED C=C(CC)COc1ccc(C(F)(F)F)c(C#N)c1 589271036 OVRXBHNSFQNNQR-UHFFFAOYSA-N 255.239 3.922 30 20 CHED C=CC[S@](=O)Cc1csc(C2CCCCC2)n1 905174963 PYDDGZOPIHUWET-KRWDZBQOSA-N 269.435 3.626 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1cccnc1 588508630 HDERQAMKBUQLHD-XQRVVYSFSA-N 288.690 3.539 30 20 CHED CC(=O)Nc1cccc(C(C)=NOCc2ccccc2)c1 839419126 JZXQGUXYNGPVFU-UHFFFAOYSA-N 282.343 3.586 30 20 CHED O=C(N(O)Cc1ccc(F)cc1)C1(Cc2ccccc2)CC1 901371682 HJCJRQYPNCHUSI-UHFFFAOYSA-N 299.345 3.566 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)CCCc1cccnc1 835929404 BCPMZKFAFOWYMJ-ZDUSSCGKSA-N 261.365 3.548 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 839319265 OURIRQJFGLRHSR-BRWVUGGUSA-N 284.403 3.625 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cccc(OCC#N)c1 730151234 IKSDAOWXGRESFN-MDZDMXLPSA-N 277.323 3.794 30 20 CHED CN(C)Cc1ccc(F)c(-c2csc(CC#N)c2)c1 904805455 MHDOKXZFWLRFLM-UHFFFAOYSA-N 274.364 3.682 30 20 CHED COc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1O 589340359 ATOFHMHRRPGLAB-STQMWFEESA-N 296.370 3.684 30 20 CHED CCO[C@H]1CC(=NNc2ccc(OC(F)F)cc2)C1(C)C 736431140 VVRUYFNINHESAQ-ZDUSSCGKSA-N 298.333 3.891 30 20 CHED C=CCCC[C@@H](NCc1cccc(Cl)c1C)C(=O)O 900068578 LFSXYNZHYGVKKQ-CQSZACIVSA-N 281.783 3.548 30 20 CHED Cc1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)c(C)c1 730149147 TZCCGUNULXBRFA-WAYWQWQTSA-N 286.352 3.959 30 20 CHED CCN(CCC1CC1)C(=O)Nc1scc(C)c1C#N 581674655 PIJPBFJFPZCSJZ-UHFFFAOYSA-N 277.393 3.582 30 20 CHED Cc1ccncc1[C@@H](C)NCC#Cc1cccc(Cl)c1 679940518 BASZKYHTTYUBFJ-CQSZACIVSA-N 284.790 3.746 30 20 CHED C=CCONC(=O)Nc1cc(Cl)ccc1SCC 836380431 NIANLBFZKMHWBB-UHFFFAOYSA-N 286.784 3.691 30 20 CHED C[C@]1(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CC=CCC1 835076337 HQQMJCFJRWUHKV-PXAZEXFGSA-N 280.327 3.750 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@@H](C#N)C(C)C 732096899 AJYMEJBYIYHLOW-KGLIPLIRSA-N 252.402 3.647 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@]1(C)CC1(Cl)Cl 836390854 YBPQHQXLUOJPQE-PWSUYJOCSA-N 293.238 3.614 30 20 CHED C=CCCC(CC)=NNc1cccc(Br)n1 835024320 LWKVDJFTFCTQMK-UHFFFAOYSA-N 282.185 3.988 30 20 CHED C#CCC[C@@H](C)OC(=O)CCCSC(C)(C)C 839037237 PGCUAPWCURDGTJ-GFCCVEGCSA-N 256.411 3.643 30 20 CHED N#CC[C@@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 595610216 UAQOLABECHAJPM-AWEZNQCLSA-N 297.427 3.936 30 20 CHED CC#CCN1CCC[C@H]1c1ccccc1Br 674869286 VPXKVHCHGREGRJ-AWEZNQCLSA-N 278.193 3.609 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1ccc(C)cc1C 915967614 IMRWVNYHCKMPMB-UHFFFAOYSA-N 268.364 3.546 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C#CC(C)(C)C 837509701 QXYUMFVBYCICAL-STQMWFEESA-N 287.378 3.709 30 20 CHED CC(C)c1csc(Sc2ccc(C#N)cn2)n1 593496406 PSPNXLQRXIVVEX-UHFFFAOYSA-N 261.375 3.684 30 20 CHED C[C@@]1(C(=O)OC[C@H](C#N)Cc2cccs2)CC=CCC1 835261819 XZWFBUSYKJKXBZ-XJKSGUPXSA-N 289.400 3.720 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C2\Oc3ccccc3C2=O)cc1 742436178 IWZNGNRSEHIDLI-HJPCULJESA-N 291.306 3.594 30 20 CHED COc1ccc(NN=C[C@@]2(C)C[C@@H]2c2ccccc2)nc1 841638675 UOXJTGMSFPTSGC-NVXWUHKLSA-N 281.359 3.682 30 20 CHED COc1cc(C)ccc1C(=O)/C=C1\COc2ccc(F)cc21 918156573 QYNBXTGDZNZUEE-XYOKQWHBSA-N 298.313 3.801 30 20 CHED CCCc1ccc(C(=O)/C=C\c2c(C)n[nH]c2C)cc1 915985514 MSDZSSXRMGHYFR-KHPPLWFESA-N 268.360 3.875 30 20 CHED CC(C)(CCC#N)COC(=O)[C@]1(C)CCc2ccccc21 842785065 LJAKXXDOAJXRDW-GOSISDBHSA-N 285.387 3.764 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 745720495 STULWAHMLJYHQQ-FUHWJXTLSA-N 270.372 3.790 30 20 CHED CC(Cc1ccccc1C)=NNc1cnc2ccccc2n1 743437455 FGEJSHJYIZUSKR-UHFFFAOYSA-N 290.370 3.969 30 20 CHED C=CC1CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 599687704 QBFUBXOQIQWENG-ZDUSSCGKSA-N 251.414 3.873 30 20 CHED CCOc1cccc(/C=N\C[C@@H]2CCCC2(F)F)c1O 840710224 QWRXPNBUNHKNGN-PGQWVYTBSA-N 283.318 3.645 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCCc1ccsc1 847637652 IKDTYWAHNNNRET-ZDUSSCGKSA-N 299.395 3.584 30 20 CHED N#CCCCCOC(=O)[C@@H]1C[C@]12CCCc1ccccc12 744139030 HCQBKUIDMLOLEI-WMZOPIPTSA-N 283.371 3.518 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)C(C)(C)C 595648531 WVFRRBGSHQUMBY-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED CCN(CCO)N=C1CC=C(c2ccc(Cl)cc2)CC1 842538057 KCUOXTOPURBSEK-UHFFFAOYSA-N 292.810 3.578 30 20 CHED CC(CCCCC#N)=NNc1ccc(Br)nc1 841626228 OXPWPTJQJUXBSP-UHFFFAOYSA-N 295.184 3.716 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1ccc(F)cc1C#N 849845774 FFRWCERIKAEVEC-HNNXBMFYSA-N 281.302 3.659 30 20 CHED CSc1cc(C(=O)N(CCC#N)CC(C)(C)C)c(C)o1 597161634 YQJQLFCCMRXAQD-UHFFFAOYSA-N 294.420 3.712 30 20 CHED CC(C)(CCC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597906340 LTNPYFSPNSOYSE-MRXNPFEDSA-N 298.430 3.897 30 20 CHED CCCN(C(=O)[C@@H](C)CC#N)c1cc(Cl)ccc1C#N 598810840 NZXZADISLXNHKA-NSHDSACASA-N 289.766 3.504 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H](C)c1cccc(C)c1 741165335 KXRTWCPFEFXRTL-VCRXTVNUSA-N 283.371 3.932 30 20 CHED CC[C@H](NC(=O)CC1(C#N)CCCCC1)[C@H]1CC1(C)C 597783350 JJYGWBKQOXRDMC-KGLIPLIRSA-N 276.424 3.791 30 20 CHED CCCCCCCC(=O)Nc1cc([C@@H]2C[C@H]2C)[nH]n1 747227096 JCJUQJJYFGTXKF-VXGBXAGGSA-N 263.385 3.832 30 20 CHED C=C[C@](C)(CC)C(=O)N=c1cc(C)[nH]c2ccccc12 682373121 HUQBTSVKHBVUJS-QGZVFWFLSA-N 268.360 3.506 30 20 CHED C=C[C@@H](C)ONC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 846554269 JEQJZZBCQIHOEG-ZJUUUORDSA-N 287.281 3.588 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H](C)c2cncc(F)c2)c1 840710663 LLUMJQJWFIBNMZ-LOMXTUQMSA-N 288.322 3.505 30 20 CHED CC(C)CON=Cc1cn(CCC#N)c2ccccc12 749631821 RIFDJDWYXNLKKE-UHFFFAOYSA-N 269.348 3.561 30 20 CHED N#CC1(CC(=O)Nc2ncccc2Cl)CCCCC1 598825252 YSWNKAKZKCFCDN-UHFFFAOYSA-N 277.755 3.538 30 20 CHED C#C[C@H](NC(=O)[C@H]1CCC(C)=C(C)C1)c1ccccc1 843639215 GUEOGLZURGTUHA-IRXDYDNUSA-N 267.372 3.614 30 20 CHED C=CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 741868056 BLVPBIAZNJVSCX-LERXQTSPSA-N 294.851 3.687 30 20 CHED Cc1ccccc1-c1noc([C@H](C)ON=CC2CC2)n1 853735482 VHOZKRXMAFNROI-NSHDSACASA-N 271.320 3.518 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 854246143 ICEVCVWPVMAGJA-NSHDSACASA-N 283.293 3.542 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(N2CCCC2)cc1 929668099 QBFJJWHJKTYOGY-AWEZNQCLSA-N 272.392 3.828 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(CN(C)C)c(F)c1 926101625 SYPARKGBQKMBSA-GFCCVEGCSA-N 277.387 3.628 30 20 CHED N#Cc1cccc(Sc2c(F)c(F)nc(F)c2F)c1 758465601 NHNFKCWRKYGXKH-UHFFFAOYSA-N 284.237 3.661 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc2cnccc12 929682553 SQFPPZRLSOCXFI-LBPRGKRZSA-N 254.333 3.776 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NNc2ccccc2)c1 755461526 DLVMJJYEDGNOFE-UHFFFAOYSA-N 276.343 3.831 30 20 CHED COc1cc(C)c(N[C@@H](C)CC(C)(C)C#N)cc1F 926205073 FTGNIHNANCNRSF-NSHDSACASA-N 264.344 3.883 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(NC(C)=O)c(C)c1 758403692 NRZSBVFUXRFGOA-UHFFFAOYSA-N 286.375 3.660 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccccc1C(F)(F)F 755825543 XCXYTNMNKOWPAY-ZDUSSCGKSA-N 287.281 3.973 30 20 CHED CCCCCCCCCNc1ncnc2nccnc12 752631791 OIMKCMNSSDLPKW-UHFFFAOYSA-N 273.384 3.582 30 20 CHED O=C1/C(=C/c2cc(F)cc(F)c2)Cc2cc(F)ccc21 755593920 PYRUAJJTGQSEHO-QDEBKDIKSA-N 274.241 3.926 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CCC[C@H]1c1ccccc1 759207405 WVSAJCPAAZGSBO-ZDUSSCGKSA-N 296.330 3.725 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1C[C@]12CCc1ccccc12 851210842 YRBAOGGVUIISSR-NRXGSXMXSA-N 297.398 3.762 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1ccc(F)cc1O 757476997 WMMPAWPMDGHZKX-QPJJXVBHSA-N 278.229 3.706 30 20 CHED C=C1CCN(C(=O)/C=C\c2ccc(SC)s2)CC1 859226044 WEFPGPNOVXHJFL-HYXAFXHYSA-N 279.430 3.662 30 20 CHED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)C[C@H](C)CC(C)C)nc12 750724502 RTHSORBVUVEVLE-YPMHNXCESA-N 298.390 3.515 30 20 CHED Clc1ccc(NN=C2CC[C@@H]3CNc4cccc2c43)nc1 853435095 MCKCJAUYAUYFDD-SNVBAGLBSA-N 298.777 3.854 30 20 CHED Cc1cc(C)nc(NN=C2CC[C@@H](C)c3ccccc32)n1 752713725 SWJKVPYKUMRRRN-LLVKDONJSA-N 280.375 3.807 30 20 CHED Cc1cc(C)c2c(c1)C(=NO[C@H]1CCCCO1)CCCO2 755821098 AYQVUKYWYOTDQY-INIZCTEOSA-N 289.375 3.723 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(F)cc(F)c2)ccc1O 755592200 GDMADVDLETWNOV-DUXPYHPUSA-N 274.266 3.875 30 20 CHED COCc1cc(NCC(C)(C)CCC#N)ccc1OC 865751753 ZCSRUUAMOVIBKW-UHFFFAOYSA-N 276.380 3.583 30 20 CHED N#C[C@@H]1CCCN([C@H]2CCc3cc(Cl)ccc32)C1 932155214 ZFTDUQLKZZJXDI-NHYWBVRUSA-N 260.768 3.563 30 20 CHED Cc1ccc2c(c1)OCCCC2=NNc1cccc(C)n1 863159974 MAMFWIKICGVZIE-UHFFFAOYSA-N 281.359 3.687 30 20 CHED C/C=C(/C=C/C(=O)OCc1ccc(OCC#N)cc1)CC 767659018 JOYUJWKKBRNILY-HSDLBVPCSA-N 285.343 3.545 30 20 CHED CC1(CCC(=O)N[C@](C)(C#N)CCc2ccccc2)CC1 932440730 YCUXOMXHGBEXDB-SFHVURJKSA-N 284.403 3.598 30 20 CHED Cc1ccc2[nH]c(C(=O)OCC3(C#N)CCC3)cc2c1C 768099918 WCBAVQRDFLFOHK-UHFFFAOYSA-N 282.343 3.635 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)Cc2ccco2)cc1 764774065 LJZBIZCSXHLJKJ-GJZGRUSLSA-N 283.371 3.573 30 20 CHED CC#CCCOc1ccc(NC(=O)OC(C)(C)C)cc1 764936978 LHQYDCWETUWBBC-UHFFFAOYSA-N 275.348 3.826 30 20 CHED COc1ccc(C)cc1CN(C)Cc1cc(C#N)cs1 768201093 RLFHQQODTOMRKP-UHFFFAOYSA-N 286.400 3.569 30 20 CHED C#CCN(Cc1nc(C2CCCCC2)cs1)C1CC1 769792819 ALNRKYGIBWMHLE-UHFFFAOYSA-N 274.433 3.788 30 20 CHED N#Cc1ccc(F)c(CNC[C@H]2C[C@@H]2c2ccccc2)c1 767374625 VTBRETFUAJBOTG-NVXWUHKLSA-N 280.346 3.591 30 20 CHED Cc1ccc2occ(CC(=O)O[C@H]3CCC[C@@H](C#N)C3)c2c1 860825514 KBTVCIXETDVLFF-HIFRSBDPSA-N 297.354 3.909 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 767259178 OGZZLSAFJYETGL-GFCCVEGCSA-N 295.407 3.607 30 20 CHED N#Cc1ccc(F)cc1CSCc1ccc(F)cn1 1116852949 VJJILUHYWZWYSQ-UHFFFAOYSA-N 276.311 3.665 30 20 CHED C(=NNc1ccccn1)c1cccc(-c2cccnc2)c1 768475763 BYOAUMZIUVLYTF-UHFFFAOYSA-N 274.327 3.590 30 20 CHED C#CCCc1noc([C@H](C)CSCc2ccccc2)n1 762011279 XEDMRZRPLVRUTJ-CYBMUJFWSA-N 286.400 3.672 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@@H](C)COC)cc1 765331693 SPBKTMJGSKTJSA-OCCSQVGLSA-N 297.826 3.751 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)c2cccc(C)c2)c1 1116268826 MFURRVPFNRHKQP-KTKRTIGZSA-N 280.323 3.678 30 20 CHED CN(C(=O)CC1CCCC1)c1ccc(C#N)c(Cl)c1 876165685 BDGOIFSBDQDGNI-UHFFFAOYSA-N 276.767 3.755 30 20 CHED C=C(CC)COC(=O)[C@@H](C)c1cn(C)c2ccccc12 772852497 WBNXJZNDRHNIIL-ZDUSSCGKSA-N 271.360 3.791 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1cccc(SC)c1C 879107989 GDDJMOVWYUWFKF-HNNXBMFYSA-N 276.405 3.640 30 20 CHED Cc1cc(C=NNc2nc3ccccc3cc2C)c(C)[nH]1 776782871 MGGACFQMQMKZNG-UHFFFAOYSA-N 278.359 3.934 30 20 CHED Clc1cscc1C=NNc1nncc2ccccc12 771871761 HBNIZRRSBWGOMV-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1coc(-c2ccccc2)n1 1116718110 YKUJOWPTBNKSOP-GOSISDBHSA-N 298.386 3.603 30 20 CHED O=C(/C=C\c1cscc1Cl)c1cncc(F)c1 771860925 SNTKDGBUBDZDQH-UPHRSURJSA-N 267.712 3.832 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)c(F)c1 772810062 ZYOJVWMRUZAWGW-WAYWQWQTSA-N 293.297 3.624 30 20 CHED CCO[C@@H](CCNc1cccc(CC#N)n1)C1CCCC1 1116661433 BSVFVKSGJQKHSD-INIZCTEOSA-N 287.407 3.545 30 20 CHED C=C(CC)COC(=O)c1cc(F)cc2nc(C)c(C)nc12 773494444 IKDNKVCUXBRGLY-UHFFFAOYSA-N 288.322 3.509 30 20 CHED C#CCCCCCC(=O)Nc1nc(C(C)(C)C)cs1 779729531 CKIKJBDMSLLEKA-UHFFFAOYSA-N 278.421 3.963 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2cscn2)cc1 776193643 SVDFXRGCYODACM-YFHOEESVSA-N 286.400 3.885 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)OCC1(C#N)CC1 775857063 RKZIEBKDZLDZRF-AWEZNQCLSA-N 263.381 3.830 30 20 CHED CC(CCn1cccn1)=NNc1ccccc1C(F)(F)F 776758311 LCGHQGJULRAHIR-UHFFFAOYSA-N 296.296 3.780 30 20 CHED COC[C@H](C)NN=Cc1ccc(-c2ccccc2F)s1 777902113 HJABFNHKZMJQFP-NSHDSACASA-N 292.379 3.513 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C 880975530 PTOALBRGCJNHFC-NSHDSACASA-N 298.308 3.808 30 20 CHED C#CCC1(c2nc(-c3ccccc3)no2)CCCCC1 788094655 RADUCKBAEOSHEP-UHFFFAOYSA-N 266.344 3.962 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc(C(C)C)cc1 788036330 IFKLROBWXIYEKF-CQSZACIVSA-N 261.365 3.587 30 20 CHED C#CCCCCCC(=O)Nc1cc(Cl)cc(C)c1O 780521277 MKMVMDUBVKBZMM-UHFFFAOYSA-N 279.767 3.876 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](O)c1cc(F)cc(Cl)c1 787034906 LWVLALMAYZNFOG-FIXISWKDSA-N 285.790 3.703 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC[C@@H](CF)C1 881601421 JFBNDVDUXAWCNX-ZDUSSCGKSA-N 293.407 3.786 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc2c(=O)[nH]ccc2c1 789071176 QHHHLGQZRKHJER-LLVKDONJSA-N 269.348 3.506 30 20 CHED C[C@H](NC(=O)Cc1ccc(C#N)cc1)C1CCCCCC1 1127858549 FTRUBQOVIVJMHZ-AWEZNQCLSA-N 284.403 3.576 30 20 CHED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(F)F)cc1 786963247 SBFPKTVIUOZZKS-AWEZNQCLSA-N 286.281 3.546 30 20 CHED CSc1ccccc1NC(=O)c1cc(C#N)ccc1F 1124322197 JAGCAYPTMQNGME-UHFFFAOYSA-N 286.331 3.672 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1cc(C)nn1C 788940962 WTMLTPYCQNDRCC-UHFFFAOYSA-N 296.296 3.583 30 20 CHED CC(C)C[C@H](C(=O)Nc1ncc(C#N)s1)c1ccccc1 896480225 AISLBGWDGYWMQW-AWEZNQCLSA-N 299.399 3.783 30 20 CHED Cc1cccc(C)c1/C=C1\Cc2cc(O)ccc2C1=O 780186561 KYVMRRWXJGSKSP-GXDHUFHOSA-N 264.324 3.831 30 20 CHED Cc1ncsc1/C=C1/COc2ccc(Cl)cc2C1=O 783714495 KQQYDSTWIOREQS-WTKPLQERSA-N 291.759 3.764 30 20 CHED COc1cccc(F)c1C(=O)O[C@@H](C)c1cccc(C#N)c1 783879207 YTNAHIVEIOSHCX-NSHDSACASA-N 299.301 3.624 30 20 CHED C=CCCCCCOC(=O)c1ccc(Br)cn1 783421373 HTSRCZRFXKZYGI-UHFFFAOYSA-N 298.180 3.747 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccc(O)c(F)c1 782324972 JFROOEPUWURPGM-AATRIKPKSA-N 289.331 3.761 30 20 CHED CC(Cc1ccc(Cl)cc1)=NN[C@H]1CCOC(C)(C)C1 780250508 JRYIEKPMWNVIEI-HNNXBMFYSA-N 294.826 3.806 30 20 CHED C=C1CC(c2noc(COc3c(C)cccc3C)n2)C1 896891185 SLVHFBGCZJYCNZ-UHFFFAOYSA-N 270.332 3.699 30 20 CHED N#Cc1cccc(CNc2cc(C3CC3)nc(C3CC3)n2)c1 891793716 RGQWWHBLEPFAOI-UHFFFAOYSA-N 290.370 3.715 30 20 CHED C=CC(C)(C)Cc1nc(CCOCc2ccccc2)no1 896535172 ZOLQKJPJLUQKPT-UHFFFAOYSA-N 286.375 3.584 30 20 CHED CCN(C)c1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cn1 799897792 SDXGHLRVBJKQBM-SOFGYWHQSA-N 284.359 3.644 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1ncc(C#N)s1 896494160 AYLUCOWDISDPDU-ZDUSSCGKSA-N 299.399 3.531 30 20 CHED CC[C@@H](C)CON=C(C)C[C@H](C)NC(=O)OC(C)(C)C 793157540 CCFGIAAWNOXDTJ-NEPJUHHUSA-N 286.416 3.728 30 20 CHED CCSCCC=NNc1ncnc(Cl)c1C(C)C 797404895 KEXWMZSSPXRSTM-UHFFFAOYSA-N 286.832 3.794 30 20 CHED C#CCN(Cc1ccccc1)Cc1oc(CCC)nc1C 794551186 DKADLIZNCSLHKH-UHFFFAOYSA-N 282.387 3.571 30 20 CHED CC[C@H](OC(=O)c1cc(C#N)oc1C)c1cccc(OC)c1 797951861 IZOQSNXCCLWMNS-INIZCTEOSA-N 299.326 3.776 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1coc(C(C)C)n1 799481741 IHGSNKPXJXKSPP-UHFFFAOYSA-N 291.782 3.965 30 20 CHED CC[C@H](C)NN=Cc1c(Cl)oc2ccccc12 790189516 OKEYVCAEENBJNZ-VIFPVBQESA-N 250.729 3.808 30 20 CHED CC[C@@H](C)CON=Cc1cn(CCC#N)c2ccccc12 793144710 FTKAXALSFWMKIV-CQSZACIVSA-N 283.375 3.952 30 20 CHED COc1ccc(C(C)=NN[C@H](C)C(C)(C)C)cc1F 793113654 BPJZCKUNPUZKOF-LLVKDONJSA-N 266.360 3.583 30 20 CHED COc1ccc(C(=O)/C=C/c2ccccc2)c(C)c1OC 794738896 MKZFPGBDQRVHNI-PKNBQFBNSA-N 282.339 3.908 30 20 CHED CC[C@@H](C)NN=Cc1cc(C(F)(F)F)ccc1F 790182502 DGBFNRJVPSLFDF-MRVPVSSYSA-N 262.250 3.567 30 20 CHED CC[C@H](C)NN=C1CCCCC[C@@H]1NC(=O)OC(C)(C)C 790186879 CLEZRCDZWYDTEZ-STQMWFEESA-N 297.443 3.588 30 20 CHED N#Cc1nc(Sc2ccc3[nH]ncc3c2)ccc1Cl 1307140032 KDMVSOVNEXTUTH-UHFFFAOYSA-N 286.747 3.634 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H](C#N)C2)CC(C)(C)C1 1303427865 DEPLNAWBKDZWSH-KFWWJZLASA-N 276.424 3.601 30 20 CHED CN(Cc1cc2ccccc2[nH]1)c1c(F)cc(C#N)cc1F 1319009782 LMCIEDCXLWKFCQ-UHFFFAOYSA-N 297.308 3.954 30 20 CHED Cc1ccoc1CNc1nc(C(C)(C)C)ccc1C#N 589875018 MLDBDXWMYMZSRQ-UHFFFAOYSA-N 269.348 3.764 30 20 CHED C#CCO[C@H](C)c1nnc(-c2ccc(C(C)(C)C)cc2)o1 1327327602 ZGWCYRALBSZDOJ-GFCCVEGCSA-N 284.359 3.745 30 20 CHED C=C(CC)CNc1cc(OC)c(Cl)cc1OC 97191704 WCAKDLWXYXXMMY-UHFFFAOYSA-N 255.745 3.735 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)c2cc(C)c(C)o2)c1 1321355746 BKGQLSRLLZMSTL-BQYQJAHWSA-N 284.311 3.579 30 20 CHED CC1(C)c2ccccc2CCN1Cc1cccc(C#N)c1F 1171416822 FRUICRSKMRDYMI-UHFFFAOYSA-N 294.373 3.991 30 20 CHED CN(CCCNc1ccc(C#N)cc1F)Cc1ccccc1 59259993 LREKQHZUAPNDTA-UHFFFAOYSA-N 297.377 3.631 30 20 CHED Cc1cccc2nc(CSCc3ccccc3C#N)cn12 1325171605 WBAXZFUPPSBJKL-UHFFFAOYSA-N 293.395 3.948 30 20 CHED Cc1cc(N2CC3(CCC3)c3ccccc32)c(C#N)cn1 1186095254 MZSTXKQKOMYESF-UHFFFAOYSA-N 275.355 3.835 30 20 CHED CC(C)=CCCOC(=O)c1cc2ccccc2n1CC#N 1327084744 JWFQDFKUVJVFGM-UHFFFAOYSA-N 282.343 3.678 30 20 CHED COc1cc(OCc2ccc(Cl)cc2)ccc1C#N 557788616 FNJFNFZFPKQIJN-UHFFFAOYSA-N 273.719 3.799 30 20 CHED Cc1cc(C)cc(CNCc2cc(C#N)cs2)c1 594974387 ZTKCYXMTHSDVAL-UHFFFAOYSA-N 256.374 3.526 30 20 CHED N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]32)c(Cl)c1 595566719 JXENOFQRWYFMCW-ZFWWWQNUSA-N 260.768 3.586 30 20 CHED CC1(C)CC(C(=O)NCC2(CC#N)CC2)CC(C)(C)C1 597610413 KMGHLIMKUTUYNE-UHFFFAOYSA-N 276.424 3.649 30 20 CHED C=C[C@H](COC)NC(=O)c1ccc(C2CCCCC2)cc1 1324021518 JXOMUDYSVDYDTP-QGZVFWFLSA-N 287.403 3.665 30 20 CHED C[C@@H](CC#N)NCc1ccc(OCc2ccccc2)cc1 68609352 QJVNXSXMQCNHDB-HNNXBMFYSA-N 280.371 3.657 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)CC(F)(F)F 69072306 JEAXXFVTTWOWFI-UHFFFAOYSA-N 270.298 3.579 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)nc1 1339102262 JSECKWBOAJFWIS-OWCLPIDISA-N 298.386 3.603 30 20 CHED CC#CCCCC(=O)Nc1nc2ccccc2n1C(C)(C)C 1254972125 VIILBSMDZKNBCC-UHFFFAOYSA-N 297.402 3.923 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F 1528079966 SIQLXSCIUGEXDA-VIFPVBQESA-N 287.281 3.571 30 20 CHED N#Cc1ccc(OCc2cccc3ncccc23)c(F)c1 1188960482 IHDPBXFGPMYURW-UHFFFAOYSA-N 278.286 3.825 30 20 CHED CC1(C)CC(NCc2ccc(C#N)cn2)CC(C)(C)C1 780555718 JQLGGEPIZYSVJJ-UHFFFAOYSA-N 271.408 3.648 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1ncccc1C 1336776310 QJNFMZRZSYMRBP-AWEZNQCLSA-N 262.397 3.928 30 20 CHED C=C(C)C(C)(C)c1nnc(CCc2ccc(OC)cc2)o1 1261574661 GRSPXWMQGLBQGS-UHFFFAOYSA-N 286.375 3.717 30 20 CHED Cc1ccc(C)c(CC(=O)O[C@H](CC#N)c2ccco2)c1 1263660371 DTEUZGWALUTICY-MRXNPFEDSA-N 283.327 3.637 30 20 CHED C=C1CCC(C(=O)O[C@@H](CC)C(F)(F)F)CC1 1344547287 XMOJEXKKZITKEL-JTQLQIEISA-N 250.260 3.617 30 20 CHED CCC[C@@H](Nc1ccc(OCC#N)cc1)c1cccnc1 1342406912 FSJFENVCDWHNTA-QGZVFWFLSA-N 281.359 3.937 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1ccccc1Cl 1354885587 OGTUDJFPIZGKPS-LLVKDONJSA-N 251.757 3.874 30 20 CHED COc1cc(COC(=O)c2cc(C#N)ccc2C)ccc1C 1360934248 UFDOJOAGIYSHGJ-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)c1ccsn1)c1cccs1 1515587374 FWGHREJTAXTRAG-SKDRFNHKSA-N 292.385 3.652 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@H]3F)c2C#N)[C@H](C)C1 1523484340 TYOSTIFJJWSQOR-AHKPZJBNSA-N 292.379 3.602 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)cc1F 1529895600 LPWYWSYDDOKARY-CJNGLKHVSA-N 288.366 3.786 30 20 CHED CC1(c2ccccc2)CC(NCc2cccc(F)c2C#N)C1 1462160188 BRCCTIYSVDOMPM-UHFFFAOYSA-N 294.373 3.907 30 20 CHED COc1cc(Cl)ccc1NC(=O)c1csc(C#N)c1 1539348315 POKMQZXWIQDLMQ-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C[C@H](CC=NN(Cc1ccccc1)c1ccccc1)C(=O)O 1609737578 BVHNNLMQWAPAEQ-OAHLLOKOSA-N 296.370 3.790 30 20 CHED CC1(CNc2nc(C#N)c(Cl)s2)CCCC1 1611961828 RGAURBWTULUKKX-UHFFFAOYSA-N 255.774 3.660 30 20 CHED Cc1nc(Oc2cnc3c(F)cccc3c2)ccc1C#N 1612643285 NUPQRTAHQFUXRF-UHFFFAOYSA-N 279.274 3.741 30 20 CHED C[C@@H]1N(Cc2cc(C#N)ccn2)c2ccccc2C1(C)C 1620420124 UPRXUTMARZOJHO-ZDUSSCGKSA-N 277.371 3.640 30 20 CHED CN(Cc1cc(C#N)ccn1)C1CC(C)(C)CC(C)(C)C1 1559984440 FAXGVVMZDPCSQB-UHFFFAOYSA-N 285.435 3.990 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C)C1CCCC1 1560744607 PNDSVSCBFRPWOE-GFCCVEGCSA-N 258.365 3.948 30 20 CHED Cc1cc(C#N)cc(NCc2cc3ccccc3[nH]2)c1 1560504158 LBPGGLFFCYSRCI-UHFFFAOYSA-N 261.328 3.960 30 20 CHED C=C(Br)CN1CCC[C@@H](CC(C)C)C1 1642267903 AWCUQIIKPZUHGH-LBPRGKRZSA-N 260.219 3.653 30 20 CHED COc1cc(C#N)ccc1OCc1cccc2ncccc12 1655986569 FUBGIGLMHFXLFS-UHFFFAOYSA-N 290.322 3.694 30 20 CHED CC(=O)c1cccc(OCc2ccc(F)cc2C#N)c1F 1656848653 LVRYBWQPIUVZLH-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C[C@@H]1CCCC[C@@H]1CN[C@@H]1CCc2cc(C#N)ccc21 1651028138 HJYJSMNIOFQJDM-MZMPZRCHSA-N 268.404 3.961 30 20 CHED N#Cc1cnc(NC[C@H]2CCc3ccccc3C2)c(Cl)c1 1651692700 JDEUYYHQZNSNDO-LBPRGKRZSA-N 297.789 3.824 30 20 CHED CCCCCCCN[C@H](C(=O)O)c1ccc(F)cc1 1589645329 XBFWGZWWPLYWFP-AWEZNQCLSA-N 267.344 3.511 30 20 CHED CC[C@H](C)Oc1cc(Sc2ccc(C#N)cc2)nc(C)n1 1655010623 CPRXJCSJJAHSNV-NSHDSACASA-N 299.399 3.985 30 20 CHED N#CCOc1ccc(NCc2cc(Cl)ccc2O)cc1 20126514 KVKZDNJUYJUQLH-UHFFFAOYSA-N 288.734 3.560 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NCC(C)(C)C#N 1676378961 VMKGROZRZBEKKY-RBSFLKMASA-N 293.455 3.544 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](Nc2nccnc2C#N)CC1 1639791433 OFSCXRWOYKNWAW-CHWSQXEVSA-N 272.396 3.755 30 20 CHED C=CCC[C@H](NCc1ccc([C@H](C)CC)cc1)C(=O)O 1776168526 HYAXIGJGIJFLLQ-CJNGLKHVSA-N 275.392 3.709 30 20 CHED O=C(O)c1ccccc1NN=C[C@@H]1CCc2ccccc2C1 1776031033 JAQJDNINGVWYLA-CYBMUJFWSA-N 294.354 3.588 30 20 CHED C=CCCC1(C(=O)O)CCN([C@H](C)CC(C)C)CC1 1776168108 WAXQXBASQOIXFY-CQSZACIVSA-N 267.413 3.554 30 20 CHED Cc1cccc2c1C/C(=C/c1csc(C(=O)O)c1)C2=O 1777455993 AGFOYZFFLPNCEQ-WZUFQYTHSA-N 284.336 3.577 30 20 CHED C=CCN(C)C(=O)c1ccc(OCCC)c(OCCC)c1 161900056 OSVGKJCDDNPWAY-UHFFFAOYSA-N 291.391 3.522 30 20 CHED CN(Cc1ccc(F)c(F)c1)Cc1ccc(F)c(C#N)c1 160727170 JXJZKHUEBJUKNZ-UHFFFAOYSA-N 290.288 3.608 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1cc(C)ccc1OC 151987513 YCYDJJWAGBQCMB-LBPRGKRZSA-N 279.405 3.640 30 20 CHED CN(C[C@H](C#N)CCC#N)c1ccc2ccccc2c1 152676816 QGTIMYCKAYNKOX-AWEZNQCLSA-N 263.344 3.720 30 20 CHED CCn1nccc1/C=C/C(=O)c1cc(C)c(C)cc1C 152612499 CWOAAOSASPXEMF-VOTSOKGWSA-N 268.360 3.724 30 20 CHED CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 155668801 WMTJRCGEMNNERT-UHFFFAOYSA-N 296.326 3.708 30 20 CHED CC#CCCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 155389389 VRTKKFZQEYSJHL-MRXNPFEDSA-N 295.386 3.677 30 20 CHED N#CCCOc1cccc(NC(=O)Nc2ccc(F)cc2)c1 154887458 OLSHRTNHQFVQIO-UHFFFAOYSA-N 299.305 3.762 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccccc2CC)s1 159251770 RFFMLRLZYBWDLX-UHFFFAOYSA-N 284.384 3.997 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2cccc3ccsc23)C1 930513843 ATGJUZLMRFAPME-NSHDSACASA-N 285.372 3.669 30 20 CHED C[C@H](CC(=O)Nc1sccc1C#N)c1ccccc1 14626429 SZTYEJWLHWRECF-LLVKDONJSA-N 270.357 3.752 30 20 CHED CC(C)(C)C1CCN(Cc2cccc(C#N)c2F)CC1 221982390 PCHJTBSPCIENPA-UHFFFAOYSA-N 274.383 3.955 30 20 CHED CCC1(CNc2c(C#N)cnc3ccccc23)CC1 226807932 QVUQCGNPHWWTLR-UHFFFAOYSA-N 251.333 3.709 30 20 CHED C#CCCCCN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21 230668475 FBOUACCWWLYKDU-UONOGXRCSA-N 257.377 3.642 30 20 CHED Cc1nnc(Oc2cccc(C(C)C)c2)c(C#N)c1C 24053880 VOZHJAKVGWWYQQ-UHFFFAOYSA-N 267.332 3.881 30 20 CHED CCCC(CCC)C(=O)N(C)Cc1cccc(C#N)c1 163168904 ACXOYKICQYMROL-UHFFFAOYSA-N 272.392 3.733 30 20 CHED CCc1cc(C(=O)N(C)c2ccc(C#N)cc2)sc1C 461536198 QZAIYFXARQVMIL-UHFFFAOYSA-N 284.384 3.767 30 20 CHED C#CCCCCC(=O)Nc1cccc(C(F)(F)F)c1 179611308 BPHNJNXXBCLWGU-UHFFFAOYSA-N 269.266 3.838 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(OCC#N)cc1 293736656 OWNSSWLGDNQXKA-AWEZNQCLSA-N 272.392 3.842 30 20 CHED CCC1(CC)CCN(Cc2cccc(C#N)c2)CC1 62953820 ANHKIWIHFPVRMN-UHFFFAOYSA-N 256.393 3.960 30 20 CHED N#Cc1ccccc1OCCOc1cc(F)ccc1Cl 312204780 APYRZDJAIASAAV-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C=C(CC)CN[C@H](C)c1cnn(Cc2ccccc2)c1 348342171 LBMOJLZCLYODPM-OAHLLOKOSA-N 269.392 3.548 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1ccc(OC)c(C#N)c1 87823554 XIJDQIUAWYJXBK-HOCLYGCPSA-N 272.392 3.625 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccc(CC)cc1 804836072 SOIAROQJGXSWSD-UHFFFAOYSA-N 277.367 3.525 30 20 CHED Cc1cccc(C)c1OCc1ccc(C#N)cc1F 19804816 OFSIGOWTKQKUPW-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C[C@H](N[C@H](C)CCc1ccco1)c1ccc(C#N)cc1 20144711 AXGZZIYANAEVHH-KGLIPLIRSA-N 268.360 3.823 30 20 CHED C[C@@H](NC[C@H](c1cccs1)N(C)C)c1ccc(C#N)cc1 20147598 SFJIOCMBNZHZDE-CZUORRHYSA-N 299.443 3.573 30 20 CHED Cc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 37230759 KWNNHQLHMVDMEW-HNNXBMFYSA-N 280.371 3.748 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccc(OCC#N)cc1 37254467 WHNYNHLOTWMBKC-YCPHGPKFSA-N 272.392 3.818 30 20 CHED N#Cc1ccc(Oc2cnc3ccccc3n2)c(Cl)c1 41873079 QGUSDMKYGNOUNF-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)c1cccc(Cl)c1 46041447 AEKNVJFKWOBYIA-FZMZJTMJSA-N 293.798 3.592 30 20 CHED Cc1ccccc1CNc1snc(Cl)c1C#N 48545605 SCGFPLMZUBEVTJ-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CCCCOc1cccc(NC(=O)C2(C#N)CCCC2)c1 56145864 GJOQFRQSJWCQRE-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC=CCC1 56212721 JNJONMRNJLYCGQ-CQSZACIVSA-N 284.359 3.640 30 20 CHED N#Cc1ccc(NCCc2cc(F)cc(F)c2)c(F)c1 60719134 NOXLQYHYVWMVAK-UHFFFAOYSA-N 276.261 3.630 30 20 CHED CCCC[C@H](CC)C(=O)N(C)Cc1cccc(C#N)c1 63240249 CLKLUXSLONNLKE-INIZCTEOSA-N 272.392 3.733 30 20 CHED C=C(C)CNc1ccc(C(=O)NC2CCCCC2)cc1 63470017 GXWAQNMLXQIQFH-UHFFFAOYSA-N 272.392 3.737 30 20 CHED CCc1ccc(OCc2ccc(C#N)cc2)c([N+](=O)[O-])c1 70497748 XNUZKTCFLDGNSC-UHFFFAOYSA-N 282.299 3.608 30 20 CHED N#Cc1cccc(COc2cccc3c2CCCC3=O)c1 88152703 ZJAZFBBKUCVRNI-UHFFFAOYSA-N 277.323 3.656 30 20 CHED C=C[C@@H](CC(=O)Oc1ccc(C#N)cc1F)c1ccccc1 90125078 DJKTWUSNYVVVBH-AWEZNQCLSA-N 295.313 3.963 30 20 CHED C#CCCCCN[C@@H]1CC2(CCC2)Oc2ccccc21 90399412 DRKXXSKTTIFXTP-MRXNPFEDSA-N 269.388 3.826 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ncccc1C 93159065 WDBNWYVYJRREMQ-UHFFFAOYSA-N 279.387 3.674 30 20 CHED CC(C)(CCC#N)CN1CCO[C@@](C)(c2ccccc2)C1 93342046 NKOGQGRLHLWKBK-GOSISDBHSA-N 286.419 3.564 30 20 CHED N#Cc1ccncc1N1CCC(Cc2cccc(F)c2)CC1 94138901 KBJAVTXCICQUBL-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C[C@H]1CCC[C@H](OC(=O)CCc2ccc(C#N)cc2)C1 96992040 QXIDJAQHFRRLAQ-BBRMVZONSA-N 271.360 3.613 30 20 CHED CCN(CCC#N)C(=O)CCc1ccc(Cl)cc1Cl 103208734 LTTSHUJZOWNZEY-UHFFFAOYSA-N 299.201 3.688 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C(C)C)C1CCCCC1 103390302 VYKSNTFXMCWXGL-AWEZNQCLSA-N 267.413 3.537 30 20 CHED C=CCCOC(=O)CCCc1c[nH]c2ccccc12 103650062 VXGJXQXBFBCMQX-UHFFFAOYSA-N 257.333 3.610 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 108792035 YAESZPKQCOMMID-ZIFCJYIRSA-N 292.382 3.752 30 20 CHED CCCCCCCCCC(=O)Nc1nnc(C)s1 109380799 YNYLGHKTGRFJNQ-UHFFFAOYSA-N 269.414 3.926 30 20 CHED C=C(C)CNCc1ccc(OC)c(OCCCC)c1 119614770 TXQPVTNFZQESDQ-UHFFFAOYSA-N 263.381 3.540 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 120059347 BZELZBNNUANZGD-MRXNPFEDSA-N 291.354 3.580 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H]1c1ccsc1 120624598 GEFPGUCWPBKQCR-INIZCTEOSA-N 298.411 3.965 30 20 CHED C=CCC[C@H](NCCOCc1ccccc1)C1CC1 121507807 KGMACDOTPDOLRG-KRWDZBQOSA-N 259.393 3.538 30 20 CHED N#Cc1ccc(CNc2ccc(N3CCCCC3)cn2)cc1 123266956 NAJSCNBGDDKJRX-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H]1C[C@@H](OCC)C12CCC2 127006457 CNOUFOCULJGWTR-JKSUJKDBSA-N 291.435 3.561 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2cccc(Cl)c2)o1 127255618 QGJXFQGBRJFCQM-JTQLQIEISA-N 279.752 3.784 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 127351279 PRBRNHYZDXXLMN-BBRMVZONSA-N 287.403 3.506 30 20 CHED CC[C@@H](C#N)Sc1ncc(-c2ccc(F)cc2)o1 127387608 MLKWAFJWMUYLMO-NSHDSACASA-N 262.309 3.875 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@H](C)c1cccc(C)c1 130958363 YYIUMJINJKGEBL-CYBMUJFWSA-N 295.338 3.584 30 20 CHED C=C(C)CNC(=S)Nc1cccc(O[C@@H](C)CC)c1 139099023 FJQVCCXJGCLWSV-LBPRGKRZSA-N 278.421 3.726 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(C(C)(C)C)s1 151298494 INWVIBJJVNDNPB-HNNXBMFYSA-N 278.421 3.714 30 20 CHED CCC[C@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)C(C)C 153125190 RAVLCQFZOBKGJL-KBPBESRZSA-N 297.402 3.822 30 20 CHED N#CCC[C@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 153374878 ZXRYLCQFGNCWCW-KRWDZBQOSA-N 296.345 3.529 30 20 CHED C/C(=C/C(=O)O[C@@H](C#N)C(C)(C)C)c1ccc(F)cc1 154593518 TXTZQCCLOOOLRU-FPAJZGIOSA-N 275.323 3.710 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1cccc2ccccc12 161232357 FARYUTKHQGEGLV-ZDUSSCGKSA-N 268.360 3.728 30 20 CHED CCO[C@@H](C)c1nccn1Cc1ccccc1C(C)(C)C#N 161444944 RVLKRCGBFAQLSX-AWEZNQCLSA-N 297.402 3.830 30 20 CHED CCCC[C@H](COC)Nc1ccccc1O[C@H](C)C#N 162261861 FWWCPXAGTCULFG-ZIAGYGMSSA-N 276.380 3.595 30 20 CHED CCCCn1ncc(NC(=O)Nc2cccc(C#N)c2)c1C 162789659 YPNNEEWCUUIJMQ-UHFFFAOYSA-N 297.362 3.507 30 20 CHED CCCCCCCNc1ccc(CCS(C)(=O)=O)cc1 163217342 QEYOGFIEXCMFPT-UHFFFAOYSA-N 297.464 3.656 30 20 CHED C=C(C)CNc1ncc(C(F)(F)F)cc1Cl 167623899 HYXMUWITNULTPT-UHFFFAOYSA-N 250.651 3.742 30 20 CHED CS[C@@H](C(=O)OCc1ccc(C#N)cc1)c1ccccc1 172420158 VWAUAYIEUTWHNI-MRXNPFEDSA-N 297.379 3.706 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 172748012 HZTKENBKHJUDCC-PBHICJAKSA-N 296.414 3.876 30 20 CHED C#CCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 172946956 JMMKDAJRNYCQBB-QWHCGFSZSA-N 296.197 3.627 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)CCc1ccc(C#N)cc1 172994458 GRMYEGPSCOOXTN-QAPCUYQASA-N 298.430 3.918 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(F)c(F)c1 173389221 WMUNRKBHZVGLJZ-JTQLQIEISA-N 257.349 3.535 30 20 CHED C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccc(F)cc1 174264648 SRPZUDPBDGMTBT-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED C=CCCCC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 175724601 ALEABDQKMBQGSB-OAHLLOKOSA-N 275.367 3.573 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@@H](C)Cc1cccs1 175754163 JNAXYCUBUFPQFM-ZDUSSCGKSA-N 280.437 3.534 30 20 CHED Cc1ccc(SCCNCc2cc(C#N)cs2)cc1 177681780 PQOJAMHKEUTZDE-UHFFFAOYSA-N 288.441 3.810 30 20 CHED N#CCCN(Cc1ccccn1)Cc1cc2ccccc2o1 178540385 UFOBILUYMQMGNG-UHFFFAOYSA-N 291.354 3.744 30 20 CHED N#CCC[C@@H](NC(=O)NCc1ccsc1)c1ccccc1 178768799 ITBAUXGIBKBIBN-OAHLLOKOSA-N 299.399 3.592 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ccc(C#N)cn1)CCC2 179237421 VBCUKVORQBNJBA-INIZCTEOSA-N 263.344 3.751 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cc(F)ccc1O 179987613 MRGRRRKRKRBDQW-UHFFFAOYSA-N 296.345 3.591 30 20 CHED CC[C@H](C)Sc1ccc(N[C@H](C#N)COC)c(C)c1 181331053 VQVQPBAAVOHZND-QWHCGFSZSA-N 278.421 3.836 30 20 CHED C[C@H](Nc1ccc2c(c1)COC2)c1cccc(C#N)c1 183294077 DPBWOKKQQVOLQG-LBPRGKRZSA-N 264.328 3.762 30 20 CHED CC(C)c1ccc(C(=O)[C@H](C#N)c2ccccn2)s1 184551017 KHIAULFBQIZICM-LLVKDONJSA-N 270.357 3.757 30 20 CHED Cc1[nH]c2ccc(C(=O)OCC(C)(C)CC#N)cc2c1C 184795210 INPDDKOECPJIFY-UHFFFAOYSA-N 284.359 3.881 30 20 CHED C=CCC1(C(=O)N2CCC(OCCC(C)C)CC2)CCC1 188857116 PPXXZFTWVBWGMJ-UHFFFAOYSA-N 293.451 3.787 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)c1ccccc1SC 189240752 QSJMZHMDVMBGDT-MRXNPFEDSA-N 293.432 3.600 30 20 CHED Cc1ccc(C(F)(F)F)cc1NCc1cc(C#N)n(C)c1 189595641 GBUXRFWEMAHVRQ-UHFFFAOYSA-N 293.292 3.836 30 20 CHED CC#CCCCC(=O)N1CCc2c(cccc2C(C)C)C1 189983216 LLGALWWRVRJFTK-UHFFFAOYSA-N 283.415 3.888 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C(C)=O)c(C)c1 191188689 QVCLYMJKNFUWPX-INIZCTEOSA-N 259.349 3.738 30 20 CHED Cn1cc(CNc2ccc(OC3CCC3)c(F)c2)cc1C#N 191443952 ZOQOLFDZDKMVNP-UHFFFAOYSA-N 299.349 3.579 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc(Cl)s2)C1 192751428 DYGLZSVLWQQPHJ-NXEZZACHSA-N 254.786 3.573 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccccc2OCC(F)F)C1 193096172 CZORDSQPMIOGQX-RYUDHWBXSA-N 280.318 3.825 30 20 CHED CCO[C@@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 195233652 KMCHRKHFPAFAHO-QGZVFWFLSA-N 294.354 3.583 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1 205327595 QVTFYXSIKXYAJY-YFHOEESVSA-N 256.276 3.730 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1ccc2c(c1)OCO2 207689870 WQXNDBKTJZPQEX-KTAJNNJTSA-N 288.249 3.590 30 20 CHED C[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccc(C#N)cc1 229274389 XLOQREBLBDCPQK-YOEHRIQHSA-N 284.403 3.701 30 20 CHED Cc1cc(C#N)nc(NC2CC(C)(C)CC(C)(C)C2)n1 231904957 TVJILEUZTUAJOE-UHFFFAOYSA-N 272.396 3.674 30 20 CHED COc1cc(CN[C@H]2CCC[C@@H](C)CC2)ccc1C#N 234953599 JVHRMWJBORZPIS-CJNGLKHVSA-N 272.392 3.625 30 20 CHED N#Cc1sc(NCc2cc(F)ccc2F)nc1Cl 236151136 HBUOQENTNMYWCS-UHFFFAOYSA-N 285.706 3.558 30 20 CHED CC(C)CCO[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 246560849 UUUMFRQTWQNCLI-CRAIPNDOSA-N 286.419 3.756 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(-n2cccn2)c1 248760151 DJBXLLXUYBXDQK-ZMSDIMECSA-N 294.402 3.605 30 20 CHED COc1cccc(/C=N\[C@@H]2C[C@H]2c2cccc(F)c2)c1O 255086256 PJSRMJKIGZGVDQ-MNJPVIPASA-N 285.318 3.515 30 20 CHED CCc1ccc(C=NOCc2csc(C)n2)cc1 255114749 LMNUSTXSQPREJJ-UHFFFAOYSA-N 260.362 3.565 30 20 CHED CCN(C/C=C\c1ccc(Cl)cc1)C[C@H](C)C#N 255141406 AIORISLCHAPROK-DSYXLKISSA-N 262.784 3.835 30 20 CHED Cc1nc(CON=Cc2ccccc2OC(C)C)oc1C 255521757 GGSVMRWGVSIDNC-UHFFFAOYSA-N 288.347 3.629 30 20 CHED CC(C)c1cnc(SCc2ccc(C#N)cc2)n1C 267083839 VMDORNCZEJVCDK-UHFFFAOYSA-N 271.389 3.707 30 20 CHED C=CCN(C(=O)CC[C@H](C)c1ccccc1)C1CC1 271570532 UAKCWTXHXZKUBO-AWEZNQCLSA-N 257.377 3.747 30 20 CHED CCC(CC)n1ccc(CN[C@@H](C)c2ccc(C#N)cc2)n1 271661006 LDCJCISOPMEADW-AWEZNQCLSA-N 296.418 3.967 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1c(F)cccc1F 272375226 ICKBQQCRTWINOQ-IBGZPJMESA-N 285.359 3.543 30 20 CHED C=C(C)COc1cccc(N[C@H]2CCN3CCC[C@@H]3C2)c1 272894502 OMBBRUSNQNWOIS-DLBZAZTESA-N 286.419 3.680 30 20 CHED C=CCCCCN[C@@H](C)c1cccc(N2CCOC2=O)c1 274629318 YTNALTVICZNURO-AWEZNQCLSA-N 288.391 3.650 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)ccc1Br 276166867 SKAXJYPDXOSRQX-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=CCCN(C)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 276463919 WGBWTOJXLACSFB-MRXNPFEDSA-N 290.407 3.610 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1NC1CC(F)(F)C1 276988187 GJRIJIFESWTDAB-UHFFFAOYSA-N 293.704 3.969 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1nc2ccccc2o1 277838365 WTHUVYNOSOPQOM-UHFFFAOYSA-N 285.391 3.980 30 20 CHED Cc1ccc([C@H](NC(=O)CC(C)(C)C#N)C2CC2)cc1 278577182 RMJJXFBMMSSGSW-INIZCTEOSA-N 270.376 3.502 30 20 CHED CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[C@H](C#N)C1 278701804 SZUMINKAPCOPNS-QWHCGFSZSA-N 298.308 3.709 30 20 CHED C=CCN(Cc1ccc(Cl)nc1Cl)C1CC1 283143451 ODJVDALWQGCRBX-UHFFFAOYSA-N 257.164 3.539 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ncsc1C(C)C 291208604 BXFGHXXZVTXKLW-UHFFFAOYSA-N 285.372 3.699 30 20 CHED N#CCCCC(=O)NCC1(c2ccc(Cl)cc2)CCC1 291601017 CRLZCYNQUNGOIG-UHFFFAOYSA-N 290.794 3.572 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(Cc3ccccc3F)CC2)C1 293204798 UONUZSCVHTXMRV-WBVHZDCISA-N 286.394 3.772 30 20 CHED N#C[C@]1(C(=O)Nc2ccccc2Cl)CC12CCCC2 294292576 VRDLPMIXBGJUEK-HNNXBMFYSA-N 274.751 3.753 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 294827406 QUJMUMJFJYHOKW-LSDHHAIUSA-N 261.409 3.792 30 20 CHED C[C@H](CC(C)(C)O)Nc1ccc(C(F)(F)F)cc1C#N 294982956 MDNGAJSNYDHOEU-SECBINFHSA-N 286.297 3.538 30 20 CHED C=CCCc1noc([C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)n1 297202095 GBZKGFXCCORGHO-VHSXEESVSA-N 294.276 3.877 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)c1nc(C(C)C)no1 298300465 GJSPLQPNCDDULM-AWEZNQCLSA-N 285.391 3.942 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccc(C)c(C)n1 298664820 YESAWZGWTAIOSN-UHFFFAOYSA-N 294.398 3.569 30 20 CHED C=C(Cl)CN[C@@H](C)c1nc(C2CCCCC2)no1 299488825 ZXUDJFHPWMKQTN-JTQLQIEISA-N 269.776 3.520 30 20 CHED CCC[C@@H](CCc1ccccc1)Nc1nccnc1C#N 301410181 JQJMJUSOKZIPQS-HNNXBMFYSA-N 280.375 3.562 30 20 CHED CC(C)[C@@H](Nc1ccc(C#N)nc1)c1ccccc1 301595307 RTYJOJWTKKPJLI-MRXNPFEDSA-N 251.333 3.762 30 20 CHED N#Cc1ccc(Sc2c(Cl)cccc2Cl)nn1 301867478 BVYBXXKQKGIXCO-UHFFFAOYSA-N 282.155 3.806 30 20 CHED CCc1cccc(Nc2snc(Cl)c2C#N)c1 301929611 MBQHCPZDKGXIKV-UHFFFAOYSA-N 263.753 3.974 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccc3c(c2)CCC3)c1 302119852 TXJPDGBPIMXTSP-UHFFFAOYSA-N 290.366 3.862 30 20 CHED CCC(CC)[C@H]1C[C@H](Nc2c(C#N)cccc2C#N)CCO1 302904218 UYYSURWMXAFCDF-IAGOWNOFSA-N 297.402 3.826 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2)c2c(c1)C[C@H](C)O2 303197567 NMYVGGUSUJWGMN-XEHSLEBBSA-N 294.350 3.915 30 20 CHED Cc1ccc(OCc2ccc(F)cc2C#N)cc1C 303212760 RYDHMEGMBOUARX-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C#CCCCNc1cc(F)c(Br)c(F)c1 308870929 JQNRCPQGIPYBGB-UHFFFAOYSA-N 274.108 3.553 30 20 CHED C[C@H]1CCC[C@@H](N(C)c2nc(Cl)c(C#N)s2)C1 310461683 AXILBICQWCIJOB-DTWKUNHWSA-N 269.801 3.683 30 20 CHED COc1cc(CNc2ccccc2C#N)ccc1OC(C)C 314102454 JBUZOMXGBMYPDD-UHFFFAOYSA-N 296.370 3.966 30 20 CHED O/C(COc1cccc2ncccc12)=N/C1CCCCC1 329305584 OUMZQVBCXSSICK-UHFFFAOYSA-N 284.359 3.903 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)c2cnc(C(C)C)s2)o1 330699704 GLOYVKYVNBMULV-SECBINFHSA-N 279.365 3.629 30 20 CHED CCC(O)(CC)CC/N=C(/O)N(C)C1CCC(C)(C)CC1 331000768 NTKNVNNYFYCAQX-UHFFFAOYSA-N 298.471 3.742 30 20 CHED CC[C@@H]1CCCC[C@@H]1N/C(O)=N/[C@H](C)c1cccc(O)c1 331194717 WPSFHBWHBVBGQC-IOASZLSFSA-N 290.407 3.926 30 20 CHED Cc1ccccc1-n1c(C)nnc1SCC1(C#N)CCC1 334644864 KKMYXEWKDPTOJM-UHFFFAOYSA-N 298.415 3.670 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ncsc1C(C)C 335183565 FIVIQIKDYURYPL-UHFFFAOYSA-N 285.372 3.699 30 20 CHED Cc1cc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c(Cl)cc1F 335197411 KQOYDOHPAMATRV-VHSXEESVSA-N 295.745 3.601 30 20 CHED N#Cc1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)ncn1 335683025 PIGGXBIKOGRCSA-UHFFFAOYSA-N 299.639 3.813 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 335844728 SNZJFVGGTLPZHP-FZKQIMNGSA-N 277.371 3.681 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CCCC1 336461554 HXONYGDEQBSYJE-OAHLLOKOSA-N 299.418 3.859 30 20 CHED Cc1csc(NC(=O)c2cccc(C(C)C)n2)c1C#N 336590754 HFTUJSFVNUSBSW-UHFFFAOYSA-N 285.372 3.699 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1c1cccs1 337758724 NNPAYEVFZJQICH-HNNXBMFYSA-N 296.395 3.906 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CC[C@@H](C(C)(C)C)C1 337821895 SHTNSHKAXHLYSQ-CQSZACIVSA-N 288.439 3.604 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc2ccccc2c1 339171630 SHCXZAFDVZHXBW-INIZCTEOSA-N 266.344 3.604 30 20 CHED Cc1nsc(NCCc2cccc(Cl)c2)c1C#N 339976607 XCNYVHSLOBHZSM-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@H]1CC2CCC1CC2 339984100 OLBPPQDVVKQQQS-NRXISQOPSA-N 276.424 3.601 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H]1CCc2ccc(Cl)cc21 342575315 YXVGAEPQOUOTNE-HZMBPMFUSA-N 295.835 3.751 30 20 CHED CCOc1cccc([C@H]2C[C@@H]2Nc2cc(C#N)cc(C)n2)c1 342915666 FSVRJEWVUKRVLI-SJORKVTESA-N 293.370 3.628 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 347066666 KKUITOFDBRSITK-FZMZJTMJSA-N 276.355 3.579 30 20 CHED Cc1ccccc1CCC(=O)N(CCC#N)CCC(C)C 349435403 XIIHHJSXMOLUOI-UHFFFAOYSA-N 286.419 3.716 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1Cc2ccccc21 353813549 XRCLLYHREQLEII-KRWDZBQOSA-N 295.357 3.680 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2cc(C#N)ccc2NC2CC2)C1 355645085 QPNHMCWTWHPNRE-QWHCGFSZSA-N 297.402 3.897 30 20 CHED C=CCN(C(=O)c1ccc2ccccc2c1)C1CC1 357492140 KZZHEPTUWOVGAS-UHFFFAOYSA-N 251.329 3.630 30 20 CHED C=CCN(C(=O)c1ccc(N(C)CC(C)C)cc1)C1CC1 357944046 IBDPYONELZVBTM-UHFFFAOYSA-N 286.419 3.569 30 20 CHED COc1cc(CNc2ccc(F)cc2C#N)ccc1C 360516771 HLBOAIOLDDOSPK-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCSc1ccccc1C(=O)N(CC=C)C1CC1 362816994 HIKHHSVHWJWLJU-UHFFFAOYSA-N 273.401 3.755 30 20 CHED N#Cc1ccc(NC(=O)C2Cc3ccccc3C2)cc1Cl 385770450 BTNDVJCWFFADLN-UHFFFAOYSA-N 296.757 3.565 30 20 CHED N#Cc1ccccc1OCCOc1cc(Cl)ccc1C#N 385844460 ZLQGMQZPLGWCTL-UHFFFAOYSA-N 298.729 3.541 30 20 CHED C=CC[C@@H](CC)NCc1ccc(N2CCCC2)cc1 393791906 ZWWVPQZBBFBKOI-MRXNPFEDSA-N 258.409 3.731 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCCc1ccc(C)s1 410825214 FPHBVRVSPHLRTE-ZDUSSCGKSA-N 278.421 3.530 30 20 CHED C[C@H](C#N)N(C)C(=O)CC1CCC(c2ccccc2)CC1 410882896 KPHGKXJAKJSHRO-HPUBIQBYSA-N 284.403 3.721 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C1(F)F 410931415 UJKIPQTZYHBWPO-GMSGAONNSA-N 298.358 3.757 30 20 CHED CCO[C@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)C1 413388087 PLCITPXKLHKMLR-PHIMTYICSA-N 284.281 3.556 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2F)c1 413775732 CDNLDVYZGIGOBK-HUUCEWRRSA-N 292.354 3.654 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC(C2CCC2)C1 413836228 PBKLVCOCXPQSNO-GOSISDBHSA-N 298.430 3.615 30 20 CHED CC(C)(CC#N)CN[C@@H]1CC(C)(C)c2ccccc21 414168435 QQGXYWTYZZGOES-OAHLLOKOSA-N 256.393 3.938 30 20 CHED C=CCN(Cc1cnc(CC)nc1)CC1CCCCC1 414383649 APTWXVXRXYORNV-UHFFFAOYSA-N 273.424 3.607 30 20 CHED N#Cc1csc(CNC[C@@H]2CCC[C@@H]2C2CC2)c1 414486932 RLISCQAKOFHWKA-DZGCQCFKSA-N 260.406 3.536 30 20 CHED C=CCC[C@H](N[C@H]1COCc2ccccc21)C1CC1 417365615 NXOBTDLJUMOXIC-IRXDYDNUSA-N 257.377 3.592 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCCc3cc(C#N)ccc32)n1 419011829 CBBDLNVKWDLUTE-QGZVFWFLSA-N 288.354 3.623 30 20 CHED CC[C@H](C)CN(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419656216 ZAUKTJDBPVVLLQ-GUYCJALGSA-N 299.418 3.623 30 20 CHED C=C(C)C(C)(C)C(=O)NCC1(c2ccccc2)CCC1 424561434 LXQLFZZOYVBLRB-UHFFFAOYSA-N 271.404 3.827 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 424586811 UTACVEVZEIIIAN-UHFFFAOYSA-N 295.386 3.993 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(OCCCOC)c1 424704427 INGBWUGKOREUAP-UHFFFAOYSA-N 291.391 3.643 30 20 CHED Cc1cc(F)ccc1C1CCN(CC2(C#N)CC2)CC1 428719388 JQKBQEDPTOWHJW-UHFFFAOYSA-N 272.367 3.617 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(CCCC)c1CC 429079623 MIIUESMVTPRCOS-CQSZACIVSA-N 291.439 3.720 30 20 CHED C[C@H](CC1CC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 431919999 RPIRYWGVKDJAHX-PBHICJAKSA-N 299.418 3.909 30 20 CHED C=CCC(C)(C)CNC(=O)NCC(C)(C)c1cccs1 432113822 RQHJXZMGLLGXMB-UHFFFAOYSA-N 294.464 3.927 30 20 CHED CC1(C)CCCN(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1C#N 434027349 XZIVUSKCSRZZLH-QGZVFWFLSA-N 296.414 3.720 30 20 CHED COc1cc(OCc2ccc(Cl)s2)ccc1C#N 435805098 WLPJDXFJLDKJPS-UHFFFAOYSA-N 279.748 3.861 30 20 CHED CC1(C)CN(c2ccc(C#N)c(Cl)c2)[C@@H]2CCC[C@H]2O1 440550849 ASDRCCPDBJTXMN-HUUCEWRRSA-N 290.794 3.748 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCC(C)(C)C 440587996 IXXSGISIQRVYLQ-GFCCVEGCSA-N 257.443 3.579 30 20 CHED C=CCN(Cc1ccc(C#N)c(OC)c1)Cc1cccs1 442817013 YDTVIYXXMJFRDP-UHFFFAOYSA-N 298.411 3.817 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC(O)(CC)CC 445482106 KTZPNEBZUZPMQE-UHFFFAOYSA-N 278.392 3.662 30 20 CHED C=CCCCCCn1ccc2cc(OC)c(F)cc2c1=O 447324435 GRBBIENJAXEPGV-UHFFFAOYSA-N 289.350 3.896 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccccn2)CCCCC1 448585469 NPTBTEXVNASRTJ-CQSZACIVSA-N 272.392 3.785 30 20 CHED C=CCN(CCC#N)Cc1cc2ccccc2cc1OC 449335905 KVMCBNOTYHEJJU-UHFFFAOYSA-N 280.371 3.750 30 20 CHED C=C(CC)CN[C@H](C)CC(=O)Nc1cc(Cl)ccc1C 449732578 BZQFONVNXMMGFN-CYBMUJFWSA-N 294.826 3.921 30 20 CHED C=CCCOc1c(C(C)=O)cccc1C(F)(F)F 450928634 GXOMVJISOBCUOR-UHFFFAOYSA-N 258.239 3.863 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](C)C(F)(F)C2)CCCC1 451169556 GPBCKOAJSIOJBT-GFCCVEGCSA-N 271.351 3.627 30 20 CHED C=C(CC)CN[C@H]1CC2(CCC2)Oc2ccccc21 453379400 WCICNXBVFHYHNI-HNNXBMFYSA-N 257.377 3.989 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2=CCC(C)(C)CC2)C1 455730956 TUKUFLGTNMUSST-CXAGYDPISA-N 274.408 3.712 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N(C)Cc2ccc(C#N)cc2)C1(C)C 457423205 NEZFHCMYOZCJFU-LIRRHRJNSA-N 298.430 3.979 30 20 CHED C=CCC1(C(=O)N(C)C2Cc3ccccc3C2)CCCC1 460038903 JEVCMCQEEAYJKE-UHFFFAOYSA-N 283.415 3.749 30 20 CHED C=C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 463879784 XHEOAKJOETWDMQ-MRXNPFEDSA-N 257.377 3.605 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2cccs2)CCCCC1 465144381 DGAKPRPOCLRIFE-GFCCVEGCSA-N 263.406 3.641 30 20 CHED C=CCOCC(=O)Nc1ccc(C(C)(C)CC)cc1 468743872 NLOPAVORSROSIE-UHFFFAOYSA-N 261.365 3.515 30 20 CHED C=CCCCC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 471321283 GSZNHWOETBGECT-INIZCTEOSA-N 271.404 3.976 30 20 CHED C=CCCCCNC(=O)CCCc1sccc1C 471717020 QCZRESSHJXRHMC-UHFFFAOYSA-N 265.422 3.852 30 20 CHED CC#CCNC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 473034864 PADYYOMSBCKEIT-OAHLLOKOSA-N 293.366 3.580 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CC[C@H](C)C1)c1ccccc1 474125507 VWYFQYHUFCBSIR-BPUTZDHNSA-N 257.377 3.651 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC1(C)CCCCCC1 474150815 KMCQDGDSZMFVPS-KRWDZBQOSA-N 281.440 3.692 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 474271658 QUZPDYFCILFWPG-OLZOCXBDSA-N 287.407 3.611 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[C@H](C)C1 475483842 WDWBHDJZTNMPIZ-DOTOQJQBSA-N 286.419 3.820 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1ccc(CC)cc1 475732189 PKFBISXRDAXXAB-UHFFFAOYSA-N 286.419 3.770 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 476372110 ZXTMZROOHSSTTF-QGZVFWFLSA-N 298.430 3.836 30 20 CHED N#CCc1ccc(CN(C#N)c2cccc(Cl)c2)cc1 478739084 PBXSSZKIAXNVFP-UHFFFAOYSA-N 281.746 3.894 30 20 CHED CC#CCCNC(=O)N(C)Cc1c(CC)oc2ccccc12 483412676 VGUNSWBBJZQHER-UHFFFAOYSA-N 298.386 3.550 30 20 CHED CC#CCCNC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 483426383 CXESGFUMMCGSGT-AEFFLSMTSA-N 298.430 3.625 30 20 CHED Cc1ccc2c(c1)[C@H](N=c1[nH]ccc(C#N)c1Cl)CCC2 488770691 PNPMWIKDUIYYKN-OAHLLOKOSA-N 297.789 3.827 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)c(CC)s1 488827335 ARKPXBPBYYGPRW-LBPRGKRZSA-N 263.406 3.800 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1cc(Cl)cs1 488877030 HCIPMORFPLSVJH-LBPRGKRZSA-N 283.824 3.901 30 20 CHED C=C(CNC(=O)NCCc1cccc(C)c1)c1ccccc1 489105332 YSIBGYVZIUTUPV-UHFFFAOYSA-N 294.398 3.550 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc(Cc2ccccc2C)no1 489514747 QOJSDTABMFOMAU-MRXNPFEDSA-N 297.402 3.509 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)Oc1ccccc1Cl 489701606 HIRHDNRIZVYCQH-GFCCVEGCSA-N 295.810 3.826 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)c1cccc(C)c1 490213759 ZTPUNXAYILYFTC-INIZCTEOSA-N 297.398 3.949 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C\C1CCOCC1 492743975 YSSCWOWQZRJWIM-HJWRWDBZSA-N 299.414 3.574 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc2ccsc12 501235860 PCZMTWWRTLMDJV-SNVBAGLBSA-N 260.362 3.987 30 20 CHED C[C@@H]1CC(C(=O)N(C)c2ccccc2C#N)C[C@@H](C)C1 503603772 XMQYWNGSWPTSRZ-STQMWFEESA-N 270.376 3.593 30 20 CHED C[C@H](N[C@H](C)c1ccc2n[nH]cc2c1)c1cccc(C#N)c1 507272324 LCKNYBPVJLKCSZ-QWHCGFSZSA-N 290.370 3.846 30 20 CHED C[C@H](c1cccc(Cl)c1F)N1CCC(F)(C#N)CC1 510886130 BUKIXAISYHXEER-SNVBAGLBSA-N 284.737 3.868 30 20 CHED CN1CCN(c2ccc(Cl)cc2C#N)Cc2ccccc21 511381209 IFJSHIZGILSGGE-UHFFFAOYSA-N 297.789 3.668 30 20 CHED C=C(C)CNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 512365069 RIOWFSICVKLFPK-UHFFFAOYSA-N 295.308 3.761 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 513181821 DFZURNURFDKQQF-STQMWFEESA-N 257.381 3.958 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)Cc2ccsc2)cc1 519615269 SHMPEJNCSYXDJQ-INIZCTEOSA-N 298.411 3.576 30 20 CHED C[C@H](C(=O)Nc1cc(CC#N)ccn1)c1cccc(Cl)c1 531670708 BULGVGDVBQHEQE-NSHDSACASA-N 299.761 3.543 30 20 CHED CC(C)N(CCC#N)Cc1cccc(-c2ccncc2)c1 535795688 FPXQQWWLVZOMAB-UHFFFAOYSA-N 279.387 3.873 30 20 CHED C=CCc1cc(CN2CC[C@@](C)(CC)C2)cc(OC)c1O 536695316 ZTSKVLAALNMGIU-GOSISDBHSA-N 289.419 3.751 30 20 CHED N#CCc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 538268532 JBDVJZMWJRRSRG-UHFFFAOYSA-N 295.729 3.530 30 20 CHED C=C(CC)CS[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 539094751 HLXWTIWVQXGDOB-MGPQQGTHSA-N 269.454 3.769 30 20 CHED C=CCCCCCN(C)Cc1c[nH]nc1C(C)(C)C 539828477 NXUPADRIAIDKQH-UHFFFAOYSA-N 263.429 3.885 30 20 CHED C=CCCOCCN[C@@H]1CCCc2ccc(Cl)cc21 540153887 LVMKWAHOFQRVLL-MRXNPFEDSA-N 279.811 3.900 30 20 CHED C=C(C)CN[C@H](C)c1ccc(OC(C)C)c(OC)c1 540352509 OJXNMZIHTKJIHT-CYBMUJFWSA-N 263.381 3.709 30 20 CHED Cc1ccc(C#N)cc1NCCCc1ccsc1 541168031 BUWWLHQYDPELKT-UHFFFAOYSA-N 256.374 3.973 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(Cl)cc1F 541763037 XWEPDLKOSRGJKK-LBPRGKRZSA-N 284.762 3.633 30 20 CHED CC#CCCNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 542672878 DLZFCCOUMBNXKB-JTQLQIEISA-N 284.186 3.627 30 20 CHED CC[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)C 543649320 WLZMCFDWQBQKIU-CYBMUJFWSA-N 278.783 3.766 30 20 CHED C=CCSCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 543746397 YKSRNRKGJXGVHR-SOUVJXGZSA-N 281.465 3.628 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OC)c2cccnc12 546037630 SIPQJTCVQFBCEH-UHFFFAOYSA-N 299.374 3.673 30 20 CHED C=C[C@@H](CC(=O)NC(C)(C)C(C)C)c1ccccc1 550522377 DKADNRZMQYGCQI-AWEZNQCLSA-N 259.393 3.897 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H](C(C)(C)C)CC1 551209744 KEFSASMDZDRRID-OAHLLOKOSA-N 299.418 3.550 30 20 CHED C=CCC[C@H](NC[C@@]1(C)CCCC[C@@H]1O)c1ccco1 552044382 AJNHDPPBIDMGJV-BHYGNILZSA-N 277.408 3.818 30 20 CHED CCCC[C@H](NC(=O)c1ccc(F)c(C#N)c1)C1CCC1 552072995 JGCKZDJOCQQUIR-INIZCTEOSA-N 288.366 3.786 30 20 CHED Cc1cc(N(C)Cc2ccc(F)c(Cl)c2)cc(C#N)n1 553245296 PZEZJSNMWJGNFA-UHFFFAOYSA-N 289.741 3.691 30 20 CHED FC(F)(F)c1ccc(C#CCN[C@H]2CCC[C@H]3C[C@H]32)cc1 554725168 MHLAIAOGLLRLQX-IMJJTQAJSA-N 293.332 3.835 30 20 CHED Cc1ncn(-c2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2)c1C 564661999 UYAVNZLNGDNLJD-GDBMZVCRSA-N 280.375 3.593 30 20 CHED C=C(C)CCNc1ccc(Cl)c(F)c1N1CCOCC1 565271670 XBOZYYWVCOTYCK-UHFFFAOYSA-N 298.789 3.694 30 20 CHED C[C@H]1CN(c2cccnc2C#N)CC[C@@H]1c1ccccc1 569163702 LPOMIBHLYMHMRJ-HOCLYGCPSA-N 277.371 3.583 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCc2ccc(F)cc21 570145806 QHCSCCQBKGMIEP-CQSZACIVSA-N 261.340 3.532 30 20 CHED Cc1ccc2c(c1C)N(Cc1ccc(C#N)cn1)CCC2 572374835 BUPORLKBSUUEAH-UHFFFAOYSA-N 277.371 3.523 30 20 CHED CCc1ccc(CN(Cc2ccc(C#N)cn2)C2CC2)cc1 573396151 MGUCFZBTTQBAIM-UHFFFAOYSA-N 291.398 3.680 30 20 CHED CC[C@@H](CC#N)NCCOc1cccc2ccccc12 574218352 ZMOKHEFVINJLKS-HNNXBMFYSA-N 268.360 3.500 30 20 CHED C=CCC1(c2nc(-c3ccccc3N(C)C)no2)CCC1 579524713 OJPHIFSBZMVYHD-UHFFFAOYSA-N 283.375 3.800 30 20 CHED Cc1ccc(C#N)cc1NCc1cnc(C2CC2)s1 580345976 QYOWVHFHQWNTAL-UHFFFAOYSA-N 269.373 3.813 30 20 CHED CCCCN(C(=O)c1ccc(C#N)cn1)[C@H]1CCC[C@H](C)C1 580614522 LIPWIMBHXXXOQU-HOCLYGCPSA-N 299.418 3.774 30 20 CHED CCn1c(NC(=O)CCCCCC#N)nc2cc(C)ccc21 588667909 BRUKLKYOVFUKIB-UHFFFAOYSA-N 298.390 3.777 30 20 CHED N#CCCCCCC(=O)N(Cc1ccccc1)CC(F)F 588935485 WNAKNYOUDONCLR-UHFFFAOYSA-N 294.345 3.754 30 20 CHED N#Cc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)n1 589452938 PKRJUFDUMCBMJH-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1cc(O)cc(C(=O)Nc2cccc(C3CCC3)c2)c1 589725113 WHPBTCKDKQYQLN-UHFFFAOYSA-N 292.338 3.784 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](CC1CCC1)c1ccccc1 593587457 GHUJQUZMPAGHSH-GOEBONIOSA-N 270.376 3.584 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC(Cc2ccc(C)c(C)c2)CC1 593718226 BRUPFVJMAIAXEE-SFHVURJKSA-N 298.430 3.634 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)CCc1ccc(C#N)cc1 595285443 YVMWHQBHVFRSGL-AWEZNQCLSA-N 282.362 3.933 30 20 CHED C[C@H](CCNC(=O)N1CCC[C@@H](CC#N)C1)CC(C)(C)C 595592418 ZRVJFGONTIXQGX-CABCVRRESA-N 293.455 3.784 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(-c3ncco3)cc2F)C1 595623546 SYJIVEMQJGDNPO-ZDUSSCGKSA-N 299.349 3.606 30 20 CHED Cc1oc(-c2cccs2)nc1CN(C1CC1)[C@@H](C)C#N 595712949 DCGZFZMGWPUZGX-JTQLQIEISA-N 287.388 3.588 30 20 CHED CCCC[C@H](CC)CCCN(C)C(=O)c1c[nH]c(C#N)c1 596499591 SLIOKCGKGQBVMH-AWEZNQCLSA-N 289.423 3.955 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)CC1(C#N)CCCCC1 596626411 LYECIEJQQFNPIB-INIZCTEOSA-N 298.430 3.988 30 20 CHED CCC[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccccn1 597160650 LLJQODOYLXWANJ-INIZCTEOSA-N 299.418 3.903 30 20 CHED CN(C(=O)C1(C#N)CCC1)C1CC(C)(C)CC(C)(C)C1 598099083 VYSBOXXNOCJIFX-UHFFFAOYSA-N 276.424 3.744 30 20 CHED C[C@H](c1noc(C2(C#N)CCCCC2)n1)c1ccco1 598680202 DDPZESJVQDELCS-NSHDSACASA-N 271.320 3.540 30 20 CHED N#Cc1ccc(N(C(=O)[C@@H]2CC23CCC3)C2CCC2)cc1 598887619 YVLPFIOEIJSNMT-INIZCTEOSA-N 280.371 3.634 30 20 CHED CCSc1ccccc1-c1noc(CC(C)(C)C#N)n1 599178690 BWQNKSMGGCHFHE-UHFFFAOYSA-N 287.388 3.941 30 20 CHED CCC[C@@H](Cc1ccccc1)NC[C@H](C)CCC#N 602529149 DYNTYJNBLZYABW-WBVHZDCISA-N 258.409 3.927 30 20 CHED N#CCCCCN[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 602542407 WZTRMPWJXPIFQL-PKOBYXMFSA-N 297.446 3.638 30 20 CHED C[C@H](CC1(C#N)CCOCC1)Nc1ccc2ncccc2c1 602587130 FKCLNGSEVHNBBM-CQSZACIVSA-N 295.386 3.746 30 20 CHED C=CCCCN1CCc2cc(OCC)c(OCC)cc2C1 605149603 BDHQLNXZGFEXAE-UHFFFAOYSA-N 289.419 3.808 30 20 CHED CN(CC1CCCCC1)c1ncc(C#N)cc1Cl 608885045 GBCFOUUWSRZWDB-UHFFFAOYSA-N 263.772 3.623 30 20 CHED N#Cc1ccccc1CN1CCCO[C@@H](c2ccccc2)C1 609234626 ZDQPPTLBLVWUCN-LJQANCHMSA-N 292.382 3.522 30 20 CHED Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H](C)C#N 609921895 RVQOPECLWONEOC-ZDUSSCGKSA-N 280.327 3.886 30 20 CHED CC1CCC(N(C)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 610406923 KGAYAGDHJCJKAI-UUCFBXCCSA-N 299.418 3.839 30 20 CHED Cc1cn(Cc2sccc2Br)cc1C#N 610915438 DWUVSGFPHAOHTN-UHFFFAOYSA-N 281.178 3.541 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1CCC1 611126092 LOMLDKWWCSRHNG-VIFPVBQESA-N 277.755 3.522 30 20 CHED CC(C)n1ccnc1CN[C@H](CCC#N)c1ccccc1 611406960 ITQNOQGBCWHCAQ-MRXNPFEDSA-N 282.391 3.599 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ncc(-c3ccccc3)s2)C1 612163552 SBIFMGUDNJTXEZ-KRWDZBQOSA-N 297.427 3.936 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C1(C)CCCC1 615081452 IMLKJXYMLHLGOU-UHFFFAOYSA-N 287.403 3.790 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccc(C(F)(F)F)cc1 616014526 QGBDROJVLIWRIG-NSHDSACASA-N 270.298 3.829 30 20 CHED Cc1noc([C@H](C)SCc2ccc(C#N)c(C)c2)n1 618658385 UUGRBTQPDOLJGR-JTQLQIEISA-N 273.361 3.553 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618788737 ZGHXATQZEJBPLP-PBHICJAKSA-N 284.403 3.878 30 20 CHED C=CCC1(NC(=O)c2cccc(F)c2F)CCCC1 619104769 VWAHCUDWYMONPY-UHFFFAOYSA-N 265.303 3.584 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)C1CCCC1 619754803 KVPJENKJTXGYOK-NSHDSACASA-N 262.784 3.880 30 20 CHED C=CCn1nnnc1S[C@H](C)c1c(C)cc(C)cc1C 620259401 MXNKWLNBATYNDT-CYBMUJFWSA-N 288.420 3.638 30 20 CHED C=C[C@@H](CC(=O)N1CCCC(F)(F)CC1)c1ccccc1 628633655 HBWZMMMVBAJMNM-AWEZNQCLSA-N 293.357 3.994 30 20 CHED CC#CCN(C)C(=O)CCc1ccc(-c2ccccc2F)o1 647542387 WVBXNZJVYFADMI-UHFFFAOYSA-N 299.345 3.500 30 20 CHED C=CC[C@@H]1CCCN(c2cccc(F)c2C(C)=O)C1 664253983 SGRANZNJYXPMLN-CYBMUJFWSA-N 261.340 3.821 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C)cc(C)n1 664471642 STCBWQUZIWCNQU-UHFFFAOYSA-N 261.369 3.565 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1c1c(C)cccc1C 664704942 ZTOZNWCFHLEKHP-MRXNPFEDSA-N 284.403 3.563 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@@H]1c1c(C)cccc1C 669076561 FHSYROKEEWHRLK-MRXNPFEDSA-N 296.418 3.731 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C#CCC 671724541 MZFOCNHHRHIOOH-INIZCTEOSA-N 273.424 3.644 30 20 CHED C=C(CNC(=O)Nc1cccc(C)c1)c1ccccc1 672597666 UOUVEWDZIABPHI-UHFFFAOYSA-N 266.344 3.830 30 20 CHED CCC#C[C@H](C)N1CCC(C(F)(F)F)(C(F)(F)F)C1 677133380 SRVVJMHDAZZNAX-VIFPVBQESA-N 287.247 3.605 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CC3CCC2CC3)ccc1Cl 690222462 YPVQYQVBWUEFCG-QIMFLAQGSA-N 288.778 3.976 30 20 CHED CS[C@@H]1CCCC[C@H]1N[C@H](C)CC(C)(C)C#N 695857971 GDSZXRLIPFUNGR-JHJVBQTASA-N 254.443 3.579 30 20 CHED C#C[C@H](NC(=O)c1sccc1-c1ccccc1)C(C)C 700610013 CQMIBEZYNUVKBK-HNNXBMFYSA-N 283.396 3.803 30 20 CHED CC(C)(CC#N)CNC(=O)c1cc2c(F)cccc2s1 701275710 MEGAJTWBGIQARM-UHFFFAOYSA-N 290.363 3.710 30 20 CHED CC1(C)CCN(c2ncccc2C#N)CC(C)(C)C1 711098765 LKBJUKHCNWKNTR-UHFFFAOYSA-N 257.381 3.606 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC[C@H]2C)c1 714399741 JDQAQBDYOYIBFP-IUODEOHRSA-N 256.349 3.632 30 20 CHED C=CCOC(=O)[C@H](C)c1c(Cl)cccc1Cl 726029394 PTPDIQLQPANLBU-MRVPVSSYSA-N 259.132 3.826 30 20 CHED C#CCN(C(=O)c1cccc2c1ccn2C)C1CCCCC1 726941856 ZTYBANPVQWXBSY-UHFFFAOYSA-N 294.398 3.586 30 20 CHED C=CCN(C(=O)N[C@H]1CCCC[C@@H]1CCC)C(C)C 728399781 HNYORTQDNOVHPV-GJZGRUSLSA-N 266.429 3.951 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2ccc(C)cc2)c1 728480542 AYNOEHLZHKLHMT-UHFFFAOYSA-N 277.367 3.572 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1c[nH]c2ccccc12 728622361 WRECPUJOUYGWLL-UHFFFAOYSA-N 294.285 3.536 30 20 CHED CCc1c(C(C)=NNc2ccc(C)nn2)oc2ccccc12 729936257 NBSIGORSCLPQIS-UHFFFAOYSA-N 294.358 3.930 30 20 CHED Fc1cccc(C=NNCc2ccccc2Cl)c1F 730727861 AQRGXJIFANDRRT-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C#CCOc1ccc(NC(=O)c2cc(C)c(C)s2)cc1 730980689 PPNBJNAYSPGVGR-UHFFFAOYSA-N 285.368 3.629 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1F 731488693 PIBNBGLFKWKQKJ-FPLPWBNLSA-N 285.274 3.938 30 20 CHED Cc1cc(C)c(C=NNc2nccnc2Cl)cc1C 733078556 FNLCCFAZCJMNEH-UHFFFAOYSA-N 274.755 3.501 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@H](CC)C1)c1ccncc1 734680943 WTACFOPVRDEZMC-HOCLYGCPSA-N 287.407 3.530 30 20 CHED C=CCCCOC(=O)c1cccc(-n2cccc2)c1 735533710 XQPOTEDMTXCHFI-UHFFFAOYSA-N 255.317 3.600 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)c1ccc(SCC)cc1 736398704 CSGPEAAABBMQAY-NSHDSACASA-N 298.839 3.911 30 20 CHED Cc1cccc(CC(=NNc2cc(C)ncn2)C2CC2)c1 736431108 URBJEHACLFNKJL-UHFFFAOYSA-N 280.375 3.514 30 20 CHED CCCCCC1=CCCC1=NNc1ccnc(N(C)C)n1 739418000 IGGMMYIVCZELKP-UHFFFAOYSA-N 287.411 3.611 30 20 CHED COc1cccc(/C=N\C2C[C@@H](C)C[C@@H](C)C2)c1O 739425923 HGOPPLVTZJYZAP-BOAJZDADSA-N 261.365 3.644 30 20 CHED C#Cc1cccc(NC(=S)N2CCC(C(C)C)CC2)c1 741870488 QFDFMFYVNANBTO-UHFFFAOYSA-N 286.444 3.733 30 20 CHED CCc1ccc(C=NOCc2sc(C)nc2C)cc1 742350808 KLEJCZZIFCUWID-UHFFFAOYSA-N 274.389 3.873 30 20 CHED C[C@H](CCc1ccccc1F)C(=O)Oc1ccc(C#N)cc1 744017583 HRVNVRJXVKGJDM-CYBMUJFWSA-N 297.329 3.872 30 20 CHED CC#CCOC(=O)c1occc1CSc1ccccc1 744617763 IMPUIZBQDXEPMX-UHFFFAOYSA-N 286.352 3.752 30 20 CHED C=CC[C@H](NC(=O)N1C[C@@H](C)C[C@H]1CC)c1ccncc1 745829391 ZCUSDBFVURWINU-IMJJTQAJSA-N 287.407 3.529 30 20 CHED C/C(=C/C(=O)NC(C)(C)C#N)C12CC3CC(CC(C3)C1)C2 746396259 ZAVQZZJKMKJPCE-QCDXTXTGSA-N 286.419 3.567 30 20 CHED COc1ccc(CNN=C/C=C/c2ccc(F)cc2)cc1 747753110 LLCACPSBGCNSNI-BJWACITRSA-N 284.334 3.623 30 20 CHED COCCON=Cc1c(-c2ccccc2)[nH]c2ccccc12 748792304 XUYMLITUFUMWRY-UHFFFAOYSA-N 294.354 3.832 30 20 CHED CCCCCCCCN1CC[C@@H]([C@H]2CCOC2)C1 750253171 XDGGJHBSKJKIIV-CVEARBPZSA-N 253.430 3.705 30 20 CHED Cc1cc(F)ccc1C=NNc1ccc(C(F)(F)F)cn1 750918500 LJSBVUZPXSXXLF-UHFFFAOYSA-N 297.255 3.994 30 20 CHED Fc1ccccc1NN=C[C@H]1CCOc2ccccc21 752159479 DELCXXDSCFXEOT-GFCCVEGCSA-N 270.307 3.790 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(-c2ccc(F)cc2)s1 754372424 ZLVONAWNNVXFBS-CYBMUJFWSA-N 287.359 3.696 30 20 CHED CC(C)(C=NNc1nc(C(F)(F)F)cs1)CCC#N 755768982 BBVSMKYRBDVCDO-UHFFFAOYSA-N 290.314 3.890 30 20 CHED C#CCCCN[C@H]1CCC[C@@H]1c1ccccc1Cl 756610659 PWEUTBKMYNZTCM-ZBFHGGJFSA-N 261.796 3.979 30 20 CHED C=C[C@@H](C)NC(=S)Nc1ccc(Cl)c(Cl)c1 756794378 CSVMKFRPLIOAOE-SSDOTTSWSA-N 275.204 3.854 30 20 CHED CSc1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1 757467401 FEXLMUBEUKMBGL-YWEYNIOJSA-N 286.352 3.716 30 20 CHED CC1(C)C(=NNc2ncc(F)cn2)C[C@H]1c1ccccc1 760246521 CFPNWLSDMWUHOP-ZDUSSCGKSA-N 284.338 3.597 30 20 CHED CC#CCCOC(=O)CCC(=O)c1ccc2ccccc2c1 760287681 OMINYEHUOBRHPI-UHFFFAOYSA-N 294.350 3.759 30 20 CHED CC#CCCOC(=O)c1ccc(C(F)(F)F)cc1Cl 760292265 QMCJMCBTFZRFJD-UHFFFAOYSA-N 290.668 3.929 30 20 CHED Fc1cccc(F)c1NN=Cc1cnc(C2CC2)s1 761811264 DQQVMADQONXEFI-UHFFFAOYSA-N 279.315 3.745 30 20 CHED C=CC[C@@H](NC(=O)c1cccn1C(C)C)c1ccncc1 764023944 YQFHEHCTCVWBLU-OAHLLOKOSA-N 283.375 3.511 30 20 CHED CCCCSCC(=O)N(C)c1cc(Cl)ccc1C#N 764270362 XOXPUSDOHMEHRQ-UHFFFAOYSA-N 296.823 3.708 30 20 CHED CCC(=NO[C@H]1CCCCO1)c1ccc2c(c1)CCCO2 765585370 ZJGFGROJOBGQIL-KRWDZBQOSA-N 289.375 3.669 30 20 CHED C=CCC[C@H](NC[C@](C)(O)c1cccc(Cl)c1)C1CC1 765814660 HHAAGXMSSIHTPX-IRXDYDNUSA-N 293.838 3.882 30 20 CHED Cc1cc(/C=C2\Cc3ccccc3C2=O)ccc1C#N 766484240 MRFCGNPMCOYQOD-CXUHLZMHSA-N 259.308 3.689 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cc2c(s1)CCCCCC2 767254844 ZENPCNSZTXRVIT-GFCCVEGCSA-N 275.417 3.501 30 20 CHED CCCc1ccc(COC(=O)C2(C#N)CC(C)C2)cc1 767425004 OOKBHTAZEFZVLY-UHFFFAOYSA-N 271.360 3.622 30 20 CHED CCC(C)(CC)C(=O)OCc1ccc(F)c(C#N)c1 767614165 QPGLLIYPUXHBTB-UHFFFAOYSA-N 263.312 3.567 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1occc1C 767776875 PRUIVUDFIVTGFE-UHFFFAOYSA-N 293.710 3.986 30 20 CHED C#CCCN(Cc1ccc(C)c(C)c1)CC(F)(F)F 768533067 AQPSRJIZQQAZHE-UHFFFAOYSA-N 269.310 3.691 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2cscn2)cc1 769263546 HPVNTXUTMFNSPA-VMPITWQZSA-N 273.357 3.826 30 20 CHED COc1ccc(CN(C)CCCCC(C)(C)C#N)cc1F 769698296 XXNXFNMEWGGVBQ-UHFFFAOYSA-N 292.398 3.986 30 20 CHED COc1ccc(NCc2ccc(C#N)s2)c2ncccc12 769943499 LEVSGSVAZAHSBQ-UHFFFAOYSA-N 295.367 3.789 30 20 CHED C[C@@H](C#N)COC(=O)c1cccc(Nc2ccccc2)c1 770948339 DIQFDGCDHIHANA-ZDUSSCGKSA-N 280.327 3.747 30 20 CHED CC1(C)CCC[C@@H]1C(=O)OCc1cccc(C#N)c1F 772597660 AHYMKTIDTXRPPY-CYBMUJFWSA-N 275.323 3.567 30 20 CHED Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 772959770 NMFZOFDPHBKHHN-CABCVRRESA-N 295.386 3.704 30 20 CHED C=Cn1cc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cn1 773053088 DMUAQHNETPVDIM-CQSZACIVSA-N 282.391 3.792 30 20 CHED N#CCOc1cc(F)ccc1NC(=O)C1=CCCCCC1 773063573 RJESFXJKMAILSZ-UHFFFAOYSA-N 288.322 3.557 30 20 CHED C#CCCCCc1nc(-c2ccc(Cl)cc2)no1 773186743 WEBFJSVJHNEEKR-UHFFFAOYSA-N 260.724 3.736 30 20 CHED C=C[C@H](CC(=O)NN1[C@@H](C)CCC[C@H]1C)c1ccccc1 773394420 XGVXWRQUYDBIJB-OWCLPIDISA-N 286.419 3.640 30 20 CHED C=C(CC)COC(=O)c1nc(-c2ccco2)sc1C 773481415 PKGNSTBQKRJTQB-UHFFFAOYSA-N 277.345 3.835 30 20 CHED C#CCCCCC(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 773575268 XEBFTPXIJAODAH-ZDUSSCGKSA-N 287.407 3.864 30 20 CHED COc1cc(Cl)ccc1NCc1ccc(F)c(C#N)c1 774360169 BQPJNSMTWJQSEG-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CC[C@H](NC(=O)N1CCCC[C@H](C)C1)c1ccncc1 776148432 DXPQHDXTRHRRQG-HOCLYGCPSA-N 287.407 3.530 30 20 CHED C[C@@H]1CCCC[C@@H]1OCC(=O)O[C@H](C#N)C1CCCCC1 776386730 SPHFLIGODDPXPO-VNQPRFMTSA-N 293.407 3.597 30 20 CHED Fc1ccc(C=NNc2ccc3[nH]ncc3c2)c(Cl)c1 779817210 OMIIKCYWTDTTIB-UHFFFAOYSA-N 288.713 3.801 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2cccc(OC)n2)cc1 779818487 ROAHFVWXYYZWEI-GFCCVEGCSA-N 299.374 3.690 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCC[C@@H](SCC)C1 779926349 OZJIGYBWVFPDSI-LSDHHAIUSA-N 281.465 3.751 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NNCCN2CCCCC2)C1 780211927 LKZNASHCQKQIRM-LJQANCHMSA-N 299.462 3.560 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H]1c1cccc(F)c1 780588630 AUXKDICPCXMKIF-MRXNPFEDSA-N 273.351 3.683 30 20 CHED C=CCCN(Cc1cccc(OC)n1)OCc1ccccc1 782665602 XLLNQMMOUUJOFH-UHFFFAOYSA-N 298.386 3.600 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1noc(C2CCCCC2)n1 785760476 CEZQWEGRFMLRBV-INIZCTEOSA-N 292.379 3.763 30 20 CHED C#CCC1(C(=O)N2CC[C@](C)(CC)C2)CCCCC1 788233791 YITAABDAPGGHPF-INIZCTEOSA-N 261.409 3.609 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])C1CCSCC1 790306879 PJKDGTMEKRUVTB-UHFFFAOYSA-N 297.355 3.665 30 20 CHED C#C[C@@H](CCC)NC(=O)C(C)(C)c1ccc(Cl)cc1F 791742762 JQXFLWFBVXILQF-LBPRGKRZSA-N 295.785 3.675 30 20 CHED FC(F)c1ccc(C=NO[C@H]2CCCCO2)cc1 794525111 ZOGACLWARBPZOZ-LBPRGKRZSA-N 255.264 3.501 30 20 CHED CSCCON=Cc1ccc(C(F)(F)F)cc1C 794572889 KNUYENQMDHWJHF-UHFFFAOYSA-N 277.311 3.727 30 20 CHED CCc1cccc2c1OC/C(=C/c1ccnn1C(C)C)C2=O 794728443 PZWLGLIRTOJJCY-UVTDQMKNSA-N 296.370 3.685 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1ccc(O)c(Cl)c1 794943904 AHRKELQZQXWCJQ-GQCTYLIASA-N 290.750 3.719 30 20 CHED C#C[C@H](NC(=O)N(CC)C(C)C)c1ccc(Cl)cc1F 796086756 LLEDGWNHLWCQEJ-AWEZNQCLSA-N 296.773 3.593 30 20 CHED C[C@H](OC(=O)[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 796371529 RTDRSSRGBUOXKM-GWCFXTLKSA-N 279.286 3.598 30 20 CHED C=CCC[C@@H](NCc1cccc2c1OCCO2)c1ccco1 796829465 YVBVJIRUBTYXFS-OAHLLOKOSA-N 299.370 3.848 30 20 CHED CSc1cccc(COC(=O)c2cc(C#N)cs2)c1 797042838 IKERPWXKEYLCGF-UHFFFAOYSA-N 289.381 3.699 30 20 CHED C#C[C@H](NC(=O)c1ccc(-c2cccs2)nc1C)C(C)C 799046395 IAHPPTWYYWRVOW-AWEZNQCLSA-N 298.411 3.506 30 20 CHED CCCC[C@@H](C)C(=O)OCc1ccc(F)c(C#N)c1 800273788 JNTFRNAOHDTXMA-LLVKDONJSA-N 263.312 3.567 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC[C@H]2CCCF)c1 800805669 XQTZGRNBVUTVQB-NSHDSACASA-N 279.315 3.913 30 20 CHED C#CCN(C(=O)[C@@H](C)c1cccc(CC(C)C)c1)C1CC1 803110256 XRJCZJNYGNKVIH-HNNXBMFYSA-N 283.415 3.613 30 20 CHED CC(C)n1cc([C@@H](C)Nc2nc(Cl)c(C#N)s2)cn1 804451578 OZFKXOHAUMLEGY-MRVPVSSYSA-N 295.799 3.619 30 20 CHED C=C(C)COC(=O)[C@H](C)Cc1cncc2ccccc12 805679919 GHDUGYTYENYXSF-CYBMUJFWSA-N 269.344 3.533 30 20 CHED N#CCCCCCC(=O)OCCCc1ccsc1 805696336 AKEWHIHQFKFMFH-UHFFFAOYSA-N 265.378 3.698 30 20 CHED C#CCCCCN[C@H](COC)c1cccc(Cl)c1F 806147716 LLSUBOGHKRSPCO-CQSZACIVSA-N 283.774 3.560 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCC(C)(C)CCC#N 806177869 LLKHNBHMUXSNMY-INIZCTEOSA-N 256.393 3.902 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1CC)C(C)(C)C 807878787 CFJFDNBYBXDFQH-GVDBMIGSSA-N 283.415 3.517 30 20 CHED CC(=NN=C(C)c1c(F)cccc1Cl)c1cnccn1 807974843 WIURCCSSESFQHQ-UHFFFAOYSA-N 290.729 3.502 30 20 CHED C=C(Cl)CNC(=O)N1CCC(C)(CC(C)C)CC1 808272616 HHXWWWJERFYRPT-UHFFFAOYSA-N 272.820 3.597 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2cc(C)ccc2OC)cc1 809603404 OIJAQEMVYGRUFJ-HNNXBMFYSA-N 279.383 3.836 30 20 CHED C#C[C@@H](NCc1ccc(Oc2cccnc2)c(C)c1)C(C)C 809685222 GYWHFPLAWCUYNN-GOSISDBHSA-N 294.398 3.930 30 20 CHED C[C@H]1CC(CCOC(=O)c2cccc(C#N)n2)C[C@H](C)C1 810627535 HANOJJAAUOJNIN-CHWSQXEVSA-N 286.375 3.572 30 20 CHED Cc1ccc(CC(=NNC[C@@H]2CCSC2)C2CC2)cc1 811660305 KHNHRJOZHPRBOO-HNNXBMFYSA-N 288.460 3.646 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1cc(F)cc(F)c1)C2 811696662 VLPVOCTUNNXMRY-DXNYSGJVSA-N 281.261 3.659 30 20 CHED C[C@H]1C(=NNc2ccc(Cl)cc2)CC[C@@H]1CC(=O)O 814683746 OGBAOHPUHBTXNH-NXEZZACHSA-N 280.755 3.629 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2ccc(C#N)cc2)CS1 814803205 MZYAHUZIVUNYCO-CQSZACIVSA-N 273.405 3.878 30 20 CHED CC(=NNc1cccc2c1CCCC2)C1CCN(C)CC1 814811666 PGGNGCKXMCBKTC-UHFFFAOYSA-N 285.435 3.695 30 20 CHED C(=NNc1cnnc2ccccc12)c1cccc2cc[nH]c12 814849004 CQRIIWMAGQGLAD-UHFFFAOYSA-N 287.326 3.557 30 20 CHED OCCC[C@@H]1CCCCC1=NNCc1ccc(Cl)cc1 814875602 OCWRZGBSDDJBEB-AWEZNQCLSA-N 294.826 3.748 30 20 CHED Cc1cc(F)ccc1NN=Cc1cccnc1Cl 814885038 JZQQIILXHXNKMN-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(Cl)ccc1N(C)C 815119014 PGSVELNXFDQWDG-UHFFFAOYSA-N 288.725 3.556 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc(-n2cccn2)cc1 819952858 LYWKPHFQYNCAPV-UHFFFAOYSA-N 284.359 3.518 30 20 CHED C=C(C)C(C)(C)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 821177451 GLJISKRIPLHMCJ-NSHDSACASA-N 296.292 3.879 30 20 CHED C#CCCOc1ccc(C(=O)N(CC)C[C@H](C)CC)cc1 826639650 YVRIQRLDJFAIIJ-OAHLLOKOSA-N 287.403 3.597 30 20 CHED Brc1cccc(NN=CC2CCCCC2)n1 835024362 OYQVXDIAJIJLNB-UHFFFAOYSA-N 282.185 3.822 30 20 CHED N#C[C@H](C(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1ccccn1 835059803 DHDXNXRTXHFPPT-IKGGRYGDSA-N 290.366 3.842 30 20 CHED C[C@@H](c1ccc(C(=O)O[C@@H](C#N)C2CC2)cc1)C(F)(F)F 835197122 UWPMBOSITJVEIK-ZANVPECISA-N 297.276 3.811 30 20 CHED C=CC(C)(C)COC(=O)c1cnc(-c2ccco2)s1 835724212 GRXQXZCEMGFDMF-UHFFFAOYSA-N 277.345 3.772 30 20 CHED C#Cc1ccc([C@H](OC(=O)CC(C)C)C(F)(F)F)cc1 836080379 IQQXSPGAQLDXFF-AWEZNQCLSA-N 284.277 3.861 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)Cc2ccccc2CC#N)C1 837167882 QEDIEKGEFDSMHR-OAHLLOKOSA-N 298.430 3.580 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)C#CC(C)(C)C)cc1 837360587 FQERMPNJCIWRGV-ZDUSSCGKSA-N 273.376 3.852 30 20 CHED CC(C)(C)C#CC(=O)Nc1nc2cc(F)c(F)cc2s1 837383934 QVPPHYPFGSUMFS-UHFFFAOYSA-N 294.326 3.563 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 837566025 QWFISIWSYJVICT-IAGOWNOFSA-N 283.415 3.564 30 20 CHED CC[C@@H](CC(C)C)C(=O)OCCCC1(C#N)CCOCC1 838251488 HTFHXKXIGUCOQI-HNNXBMFYSA-N 295.423 3.702 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc2nc(C)ccc2c1 839036706 GUIMYKUFCUQECM-CYBMUJFWSA-N 267.328 3.502 30 20 CHED CCc1ncsc1C(=O)OCCC1(C#N)CCCCC1 840348275 NMTSVCJHTSDPKD-UHFFFAOYSA-N 292.404 3.726 30 20 CHED C=CCC1(C(=O)OCCc2cncs2)CCCCC1 840581888 RBXQMQZVYKRCOO-UHFFFAOYSA-N 279.405 3.755 30 20 CHED C=C(C)CSCc1ccnc(Br)c1 842175692 ZWNXNESPSSXAQR-UHFFFAOYSA-N 258.184 3.653 30 20 CHED CC(C)Cn1nccc1/C=C1\CSc2ccccc2C1=O 843269387 PKCAPJNPTNFPNM-UKTHLTGXSA-N 298.411 3.911 30 20 CHED C#CCCCNCc1cc2cc(Br)ccc2o1 850162157 DTTXOJPGRRQKJO-UHFFFAOYSA-N 292.176 3.698 30 20 CHED C=C[C@@](C)(CC)COC(=O)[C@@H](OC)c1cccc(OC)c1 850976711 GPSQDNNZUUQALJ-RDJZCZTQSA-N 292.375 3.528 30 20 CHED C=C[C@H](OC(=O)CC[C@H]1CC[C@@H](C)O1)c1ccccc1 851452960 ZGLSGEJGUPMBNU-BMFZPTHFSA-N 274.360 3.805 30 20 CHED CO[C@@H](C#N)c1ccc(-c2ccc3c(c2)CCCO3)cc1 854188384 XTLCKBNKEXPEKW-SFHVURJKSA-N 279.339 3.890 30 20 CHED C#CCCOC(=O)Oc1cc(C)c(Br)c(C)c1 859128902 UZAQFRFZHSIQGG-UHFFFAOYSA-N 297.148 3.605 30 20 CHED COc1cc(O[C@@H](C)c2ccccc2)ccc1C#N 864046998 MBNDFWRSBNDUEW-LBPRGKRZSA-N 253.301 3.707 30 20 CHED CCCCCCCCC[S@](=O)Cc1nccnc1C 864485377 QVBPVNTUHTZTHK-IBGZPJMESA-N 282.453 3.784 30 20 CHED Cc1sc2ncnc(NN=C3CCC[C@H]3F)c2c1C 872330357 MBAJIJMXHFKPNH-SECBINFHSA-N 278.356 3.598 30 20 CHED C[C@H](OC(=O)C1(C)CC(F)(F)C1)c1cccc(C#N)c1 873441250 OCJCEQYHAGNXNW-JTQLQIEISA-N 279.286 3.598 30 20 CHED C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CC1(CC#N)CC1 878095659 ABLICSBSFVXRII-BFYDXBDKSA-N 284.403 3.531 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@H](CF)C1)c1ccccc1 881675841 ZYEMIFIAUQJSID-ZBFHGGJFSA-N 275.367 3.554 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2cccnc21 886626803 LDEYJKJFPVAGHD-ZWKOTPCHSA-N 289.382 3.608 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(OC(C)(C)C)c1 888556956 XEHRPAFTZVZTQB-UHFFFAOYSA-N 297.358 3.624 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1ccccc1CC#N 890615480 JKQFENRPUZZPLT-SFHVURJKSA-N 290.366 3.860 30 20 CHED C=C1CC(c2noc(-c3ccc(CN(CC)CC)o3)n2)C1 896882804 YAYXDVZQKZZORW-UHFFFAOYSA-N 287.363 3.605 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)CCCCc2ccccc2)C1 897374259 NZMYLNUJBLRPPG-SFHVURJKSA-N 284.403 3.552 30 20 CHED Cn1cc(/C=C2/Cc3c(Cl)cccc3C2=O)c(C2CC2)n1 899350275 BPCKDIXOQDVAIJ-XFFZJAGNSA-N 298.773 3.773 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1cccc(CN(C)C)c1 899379589 ZSUBDKKDSZSGIR-KTKRTIGZSA-N 298.386 3.503 30 20 CHED C=C1CCC(C(=O)N[C@H](C)CC(=O)c2ccccc2)CC1 901032259 COJPDSJFSBMDDM-CQSZACIVSA-N 285.387 3.511 30 20 CHED CC(C)C[C@H](C)CC(=O)N(O)Cc1ccc(F)cc1 901374955 YABXIVVGDUSNRC-LBPRGKRZSA-N 267.344 3.616 30 20 CHED Cc1nc(SCCCCC2(C#N)CCC2)[nH]c1C 901556155 AFNLQLMUJPJYOQ-UHFFFAOYSA-N 263.410 3.983 30 20 CHED C[C@H]1/C(=C/c2cccc(C3CC3)c2)C(=O)c2nccn21 901566144 RFJWYXCNVMTTQO-SAIXKJTDSA-N 264.328 3.601 30 20 CHED CC[C@H](N[C@@H](C)Cc1c(C)noc1C)c1cccc(C#N)c1 902811819 HOOZRVKLVLCHRM-SGTLLEGYSA-N 297.402 3.835 30 20 CHED CC[C@H](SC)C(=O)OCCCCC1(C#N)CCC1 909092938 SEFCEYUBJOKZMS-LBPRGKRZSA-N 269.410 3.535 30 20 CHED Cc1ccc(C=NNc2ccccc2[N+](=O)[O-])cc1C 915933633 GISWQPUNYUTZMU-UHFFFAOYSA-N 269.304 3.658 30 20 CHED Clc1cccc(NN=Cc2cccc3c2OCO3)c1 915935123 UHDHKADHBZVQTO-UHFFFAOYSA-N 274.707 3.515 30 20 CHED N#CCOc1cccc(C=NNc2ccccc2Cl)c1 915935602 SABUZGUYAZGNHO-UHFFFAOYSA-N 285.734 3.688 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccc(C#N)cc1 916286423 CREATVHOCZGWGT-UHFFFAOYSA-N 286.338 3.943 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1/Cc2ccccc2C1=O 918749217 PZPUTUGWNZPEKR-XFXZXTDPSA-N 266.344 3.530 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C(/C)CCC 920221883 NGIUNUKJADXDHB-SQFISAMPSA-N 287.403 3.956 30 20 CHED COc1cccc(/C=N\[C@H](C)CCc2ccccc2)c1O 920942688 OFNMJWSRLBMOAI-RMENWYJGSA-N 283.371 3.841 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccccc1F)C2=O 921263390 CMRIKGCAGLLYFX-ZROIWOOFSA-N 252.288 3.957 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H](CCO)c1ccc(Cl)cc1 926427406 FEMSVVJKTMXIJP-DOMZBBRYSA-N 294.826 3.681 30 20 CHED N#Cc1ccsc1NC(=O)N1CCC[C@@H]1C1CCCC1 931847098 SLRZVGROHYYNCM-CYBMUJFWSA-N 289.404 3.806 30 20 CHED C=C[C@@H](CC)CC(=O)N(CCC#N)c1ccc(F)cc1 932318341 WYCXRPYZHINNGC-ZDUSSCGKSA-N 274.339 3.675 30 20 CHED C=C1CCN(C(=O)Nc2cccc(-c3ccon3)c2)CC1 933782304 QLMWMXFYTOCIPU-UHFFFAOYSA-N 283.331 3.526 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 934739539 RVZHVXYIZOZPPA-STQMWFEESA-N 299.374 3.516 30 20 CHED C=CCn1cnnc1S[C@@H](CC)c1ccc(F)cc1 1116108213 BFNZXBHICNSYGG-ZDUSSCGKSA-N 277.368 3.847 30 20 CHED CC1CCC(N(C(=O)CC#Cc2ccccc2)C2CC2)CC1 1116266836 QLOOKYRUFQUENG-UHFFFAOYSA-N 295.426 3.998 30 20 CHED C[C@]1(C(=O)O[C@@H](CC#N)c2ccco2)CC=CCC1 1123370282 UAFNNQHALVELKY-ZFWWWQNUSA-N 259.305 3.524 30 20 CHED C[C@@H](CCNC(=O)c1ccc(C#N)cc1F)CC(C)(C)C 1128012754 DIMPBLHPQLASCM-LBPRGKRZSA-N 290.382 3.890 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(C(F)F)cc2)c(F)c1 1134576000 DPEZPLMKLXNLKS-UHFFFAOYSA-N 290.244 3.887 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@@H]2CCC2CCCCC2)n1 1185784511 CYCLRAZCROFTDJ-QGZVFWFLSA-N 298.434 3.986 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCCC(C)(C)C1CC1 1201841021 YOPGTSXVWLWDAY-UHFFFAOYSA-N 285.391 3.815 30 20 CHED CC(C)c1ccc(NC(=O)Nc2ccc(C#N)cn2)cc1 1219652650 INFXLJGYXJMUPR-UHFFFAOYSA-N 280.331 3.721 30 20 CHED Cc1ccc(CN(C)C(=O)c2cc(C#N)ccc2F)cc1C 1275925052 IORXJYCNPDEORQ-UHFFFAOYSA-N 296.345 3.586 30 20 CHED N#CCc1ccccc1CC(=O)Nc1cscc1Cl 1288449812 DHAZJECQJSGVTO-UHFFFAOYSA-N 290.775 3.649 30 20 CHED CC#CCOC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1318818555 GAVICWJATRJPIJ-UHFFFAOYSA-N 270.372 3.798 30 20 CHED C[C@H](OC(=O)CC#Cc1ccccc1)c1ccc(C#N)cc1 1323875754 HBPHKVFEARFIQR-HNNXBMFYSA-N 289.334 3.604 30 20 CHED N#Cc1ccc(COC(=O)CCCC2CCCCC2)nc1 1326396610 JFAPJTQTLNSIPL-UHFFFAOYSA-N 286.375 3.747 30 20 CHED COc1ccc(F)c(N[C@@H](CCC#N)c2ccccc2)n1 1329158979 XGIAVIMGEXZJHZ-AWEZNQCLSA-N 285.322 3.686 30 20 CHED Cc1cc(C=NNc2c(Cl)cccc2Cl)ncn1 1330284779 DDPDRWACYGOQGJ-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CN(C)c1cccc(Cl)c1CN1CCC[C@@H](CC#N)C1 1330838766 DRFIRDGJWYTIGZ-ZDUSSCGKSA-N 291.826 3.532 30 20 CHED C=C[C@@H](CC)CC(=O)NCCCCOc1ccccc1 1332636163 VJUBOFFHDFICIA-HNNXBMFYSA-N 275.392 3.564 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1339183305 AIUZOGHCMXURTH-QLFBSQMISA-N 290.794 3.594 30 20 CHED Cc1cc(C(=O)OCCCC(C)(C)C#N)c(C)n1C1CC1 1339299903 AZRCIVUPSHMZEM-UHFFFAOYSA-N 288.391 3.927 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)OC1CCCCC1)c1ccccc1 1341185967 FQRLGPWWZJSZIZ-CRAIPNDOSA-N 299.414 3.605 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1csc(C#N)c1 1344096491 SLWVGGRLIYFSSE-JSGCOSHPSA-N 296.395 3.638 30 20 CHED C#CCCOC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1345054246 SQXJEUWJOBXFCL-UHFFFAOYSA-N 270.372 3.582 30 20 CHED C=C(CC)C(=O)N1CCC(OC2CCC(C)CC2)CC1 1345919223 CRJZYYKFQFKGLW-UHFFFAOYSA-N 279.424 3.539 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@H](C)[C@@H]1C 1346485073 WNUBAMYCXVAWQX-AVGNSLFASA-N 294.468 3.513 30 20 CHED C=C(CC)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 1351708851 LRGCJDHBXZHCNR-NSHDSACASA-N 261.369 3.636 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1c1cccc(OC)c1 1354419964 XJRVCPGYVDSWED-WMLDXEAASA-N 287.403 3.961 30 20 CHED Cc1cc(NC(=O)c2cc3cccc(C)c3o2)ncc1C#N 1437191359 VDRGICIVLFQIPX-UHFFFAOYSA-N 291.310 3.569 30 20 CHED N#Cc1cnc(Nc2ccc(CC(F)(F)F)cc2)c(F)c1 1458196709 HZSSXBYCHUKJAX-UHFFFAOYSA-N 295.239 3.941 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CC1CC1)c1cccs1 1515589501 NQZIVSXYRAKQCM-RISCZKNCSA-N 263.362 3.682 30 20 CHED C=C(CC)C(=O)N1CCSC[C@@H]1c1ccc(C)cc1 1519473627 IZLHMLSGSDQBIZ-OAHLLOKOSA-N 275.417 3.578 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@H](C)c1ccoc1 1520469651 WXSARBGJATXYTJ-QWHCGFSZSA-N 283.327 3.634 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1cc(Cl)ccc1F 1521563157 CELIGDXDYILOJR-SNVBAGLBSA-N 294.757 3.740 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2ccc(C#N)s2)C1 1529097209 YFMNXAPNMVGZJM-NSHDSACASA-N 276.405 3.566 30 20 CHED Cc1cccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1F 1529379714 FDDSBDXQLHRSNQ-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@H]2CCc3cc(F)ccc32)c1 1535375839 TUCGFVBRPRLVOM-INIZCTEOSA-N 298.292 3.505 30 20 CHED C=C(CC(C)C)C(=O)N[C@H](C#N)c1ccccc1Cl 1548645635 CLOCDSPMHAYYLJ-CQSZACIVSA-N 276.767 3.623 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C)CCC[C@H]2C)c1 1562939905 ZQSBVLLXYYMFQK-TZMCWYRMSA-N 285.391 3.909 30 20 CHED COc1cccc(COC(=O)c2cc(C#N)ccc2C)c1C 1586217779 KNICUWZWADDBCT-UHFFFAOYSA-N 295.338 3.541 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)O)c1 1588529914 LOSGWFAMCINLHE-UHFFFAOYSA-N 281.739 3.579 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2cc(F)cc(Cl)c2)c1 1602549811 BEOQJZJYHVXZFQ-UPHRSURJSA-N 294.665 3.666 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)c(Cl)c(C(=O)O)c1 1602815995 HTPKERUBVKKBJY-QMMMGPOBSA-N 299.729 3.718 30 20 CHED C=CCCCCCN[C@@]1(C(=O)O)CCCC(C)(C)C1 1602869119 AFIKJOQHBQTAFU-INIZCTEOSA-N 267.413 3.746 30 20 CHED Cc1cc(NC(=O)C[C@@H](C)C2CCCCC2)ncc1C#N 1611360841 LRUWENFVLUZHPD-CYBMUJFWSA-N 285.391 3.807 30 20 CHED Cc1cc(C#N)nc(NC[C@H](Cc2ccccc2)C(C)C)n1 1612272624 QGSBYWRQSYCZDF-INIZCTEOSA-N 294.402 3.584 30 20 CHED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 1612934438 RPLLMZNHFWVPRZ-RUZUBIRVSA-N 269.392 3.707 30 20 CHED C[C@@H](C#N)CN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1CC1 1631946072 KUFMNGVPZOOWOZ-ZDUSSCGKSA-N 290.451 3.990 30 20 CHED C[C@@H]1CCC[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N 1639447691 XGQANSHIPYQRKK-YPMHNXCESA-N 257.381 3.851 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1Nc1c(C#N)cccc1C#N 1652016804 MBOKINCILUOTKJ-DLBZAZTESA-N 273.339 3.706 30 20 CHED N#Cc1csc(CNc2ccc(-c3ccon3)cc2)c1 1658051323 DHMMIVMTLXTZTL-UHFFFAOYSA-N 281.340 3.887 30 20 CHED C[C@@H](CC#N)N(C)[C@H](C)c1nccc2ccccc12 1658955929 ODPRKFPRRNMBDG-QWHCGFSZSA-N 253.349 3.530 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@H](C)CC(C)C 1776014147 JFEUWRHJOCYUEH-LLVKDONJSA-N 262.353 3.855 30 20 CHED C=CCC1(C(=O)O)CCN(CCC2CCCCC2)CC1 1776160675 ROJAIXXTKPMTLI-UHFFFAOYSA-N 279.424 3.700 30 20 CHED C=CCC[C@@H](CC(C)C)C(=O)NC1(C(=O)O)CCCCC1 1776166827 ZBEVAANFIBXBLF-AWEZNQCLSA-N 295.423 3.519 30 20 CHED O=C(O)c1csc(/C=C2\CCc3ccsc3C2=O)c1 1777696234 RAFGYDSPPCTGBU-WEVVVXLNSA-N 290.365 3.720 30 20 CHED C=CCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 3636379 YSDLKZLLQIOXFT-GOSISDBHSA-N 267.372 3.755 30 20 CHED CSc1ccccc1NCc1ccc(C#N)cc1 35040571 ZRQQZZOEGDPKQG-UHFFFAOYSA-N 254.358 3.892 30 20 CHED CCOc1cc(F)ccc1NCc1ccc(C#N)cc1 37092032 OTIGUVFTVQQCRB-UHFFFAOYSA-N 270.307 3.708 30 20 CHED COc1ccc(N[C@H](C)c2cccc(C#N)c2)c(OC)c1 37195618 SSGSYXATJOSKRR-GFCCVEGCSA-N 282.343 3.749 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1ccccc1O 37748291 KYJJXWZIKTZOGN-INIZCTEOSA-N 266.344 3.505 30 20 CHED N#CC1(NC(=O)c2cccc(C(F)(F)F)c2)CCCCC1 40215323 AGMGVWQOSWTATK-UHFFFAOYSA-N 296.292 3.662 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccsc1 45404040 TXHACHHTQVWXIP-UHFFFAOYSA-N 298.411 3.601 30 20 CHED CC(C)CCN(Cc1ccc(C#N)cc1F)C1CC1 45751844 JOWWFZZJOOSLFR-UHFFFAOYSA-N 260.356 3.708 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)Cc1ccccc1C#N 53422316 OFLULOWHBVSROW-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED CC[C@@H](CC#N)NCc1csc(-c2ccc(F)cc2)n1 54183479 HCBUMLKMXRJNGT-ZDUSSCGKSA-N 289.379 3.731 30 20 CHED Cc1ccc(C(=O)/C=C/c2nccn2CC(F)(F)F)cc1 60376195 FJMUIVMQYZDUEL-VOTSOKGWSA-N 294.276 3.650 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc3c(c2)COC3)c1 64395355 VDRRVYRBIXVTLZ-UHFFFAOYSA-N 295.338 3.534 30 20 CHED N#CC1(C(=O)N2CCC[C@@H](c3ccccc3)CC2)CCCC1 66764800 ZGRDUGNJIGEFMS-QGZVFWFLSA-N 296.414 3.867 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](C#N)CCC#N 72589682 TZKHYISRBPSERD-CYBMUJFWSA-N 295.308 3.581 30 20 CHED Cc1nc(C)c(C#N)c(SCc2ccc(Cl)s2)n1 73719276 FVPUBVHHPHTGPL-UHFFFAOYSA-N 295.820 3.972 30 20 CHED C=C(Cl)C[S@](=O)Cc1nc(-c2ccccc2)oc1C 75502340 XAKGPLUFBWJOPX-LJQANCHMSA-N 295.791 3.651 30 20 CHED CCCCN(CCCC)Cc1ccc(OCC#N)cc1 77012644 KITWLDQUSSJMKT-UHFFFAOYSA-N 274.408 3.991 30 20 CHED C=CCCCNc1cccc(Cl)c1N1CCOCC1 77244915 YJSFUFYJZMXXBH-UHFFFAOYSA-N 280.799 3.555 30 20 CHED N#CCCCC[S@](=O)Cc1ccc(Cl)c(Cl)c1 78701978 PEIYNEOPKSACLM-QGZVFWFLSA-N 290.215 3.936 30 20 CHED CCc1ccccc1CNc1nc(C)cc(C)c1C#N 84203525 JIXFHNYRIXDVDG-UHFFFAOYSA-N 265.360 3.745 30 20 CHED Cc1ccc2cccc(OCCC(C)(C)C#N)c2n1 87596071 FWUSHMBYMJHDQF-UHFFFAOYSA-N 254.333 3.862 30 20 CHED COc1ccc(CNCCC2CCCCC2)cc1C#N 87823754 SSRXBQZFLDDWGL-UHFFFAOYSA-N 272.392 3.627 30 20 CHED Cc1cc(C#N)ccc1OCc1cnc(Cl)s1 89737378 CUYDSEDAFVYLOT-UHFFFAOYSA-N 264.737 3.556 30 20 CHED Cc1ccc(CN(CCC#N)CCC(C)C)cc1[N+](=O)[O-] 93100832 QIPRSYVWEPQINF-UHFFFAOYSA-N 289.379 3.665 30 20 CHED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1cccs1 96891321 JTYYZOZKBPDILC-HJWRWDBZSA-N 280.352 3.830 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(C)ccc1OC(F)F 119322933 BGPULHUDDREFHY-MNOVXSKESA-N 255.308 3.822 30 20 CHED C#CCCCCC(=O)N[C@H](CC)c1ccc(F)cc1F 119880512 VVFXEUPSPLCDGK-OAHLLOKOSA-N 279.330 3.726 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)c1 120290751 HABPMYHMUPGSNF-HZPDHXFCSA-N 295.407 3.804 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)N[C@@H](C#N)CC 123699812 NMTJHQOXTXMAHF-UKRRQHHQSA-N 252.402 3.791 30 20 CHED N#CC1(C(=O)NCCCC2CCCCC2)CCCC1 124734206 DYFFAMXCGLUXCQ-UHFFFAOYSA-N 262.397 3.547 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(C(=O)O)c1)C2 126428882 VFRUXHMFCNXTPF-DHDCSXOGSA-N 278.307 3.516 30 20 CHED CC[C@@H](C#N)Sc1nc2cc(Cl)ccc2n1C 127526696 HYGOHBDBUIONDU-VIFPVBQESA-N 265.769 3.621 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2[nH]ccc12 129643579 OLEVKQIYFFDOBH-UHFFFAOYSA-N 254.333 3.875 30 20 CHED C=C(C)COCCNC(=O)[C@@H](C)c1ccc2ccccc2c1 136148103 MUKHWKYTJALYQB-HNNXBMFYSA-N 297.398 3.652 30 20 CHED CC[C@@H]1CCC[C@H]1NCc1ccc(N(C)CCC#N)cc1 154134349 FQPVQFMPVHBJMR-SJLPKXTDSA-N 285.435 3.705 30 20 CHED CC#CCCn1nc(-c2cccs2)c2ccccc2c1=O 154848842 ILEKLVPSHVIGOE-UHFFFAOYSA-N 294.379 3.538 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 155241179 DFUHWTROIUHVRD-KGLIPLIRSA-N 298.390 3.588 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(C)cn1 156389305 FGFFCVSXECCUIM-UHFFFAOYSA-N 266.388 3.621 30 20 CHED C=C(C)CN(CC)Cc1cc(OC)c(OCC)c(OC)c1 159009650 CZFIKEKHIOYWLO-UHFFFAOYSA-N 293.407 3.501 30 20 CHED CCOc1ccccc1OCc1ccc(C#N)cc1OC 159575686 BQOOXAAATJOEOP-UHFFFAOYSA-N 283.327 3.545 30 20 CHED CN(C(=O)[C@@H]1CCCc2sccc21)c1ccccc1C#N 168300260 LPUKWKKRZNMVCT-CQSZACIVSA-N 296.395 3.703 30 20 CHED C#CCCCOC(=O)CCc1ncc(-c2ccc(C)cc2)o1 170714474 ZZYIHEJFERDHIN-UHFFFAOYSA-N 297.354 3.539 30 20 CHED CCCCC[C@H](NC(=O)NCCCCC#N)C(C)(C)C 172071030 SWVUSXNHVICTRH-AWEZNQCLSA-N 281.444 3.974 30 20 CHED C#C[C@@H](C)OC(=O)c1csc(-c2ccc(Cl)s2)n1 174419516 BDVNQMWYPANOBA-SSDOTTSWSA-N 297.788 3.704 30 20 CHED C=CCCCC(=O)Nc1ccc(Cc2ccncc2)cc1 175147683 KZHKRXFLMZKGGS-UHFFFAOYSA-N 280.371 3.967 30 20 CHED C=CCCC(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1C 176046038 ZHSWHBLLLDGNCP-SNVBAGLBSA-N 292.766 3.797 30 20 CHED C=CCCC(=O)N1c2ccccc2S[C@H](C)[C@H]1C 176698869 GZWRMRXKDOZIBU-VXGBXAGGSA-N 261.390 3.869 30 20 CHED C#CCCCNC(=O)N[C@H](CCC)c1ccc(F)cc1F 177108647 OAHWPRNXBMZGNH-OAHLLOKOSA-N 294.345 3.519 30 20 CHED C=CCC[C@H](O)CN[C@H](CC)c1ccccc1OC(F)F 179721957 PXXJPBCBAJHOSS-GXTWGEPZSA-N 299.361 3.656 30 20 CHED CCN(Cc1ccc(C#N)cc1Br)C(C)C 180999824 WINQQIGLPQQAKH-UHFFFAOYSA-N 281.197 3.551 30 20 CHED C[C@H]1C[C@@H](C)CN(CCCN[C@@H](C)c2ccc(C#N)cc2)C1 181513813 XVBFKCLNBGNMQZ-BBWFWOEESA-N 299.462 3.577 30 20 CHED C=CC[C@H](C(=O)NCc1cccs1)c1ccccc1 186097564 AGOXTAVYOZWIQS-HNNXBMFYSA-N 271.385 3.724 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1cccc(N(C)C)c1 186309418 IHVKXRZKXOJSRN-UHFFFAOYSA-N 293.414 3.565 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc(Cl)ccc1OC 187748196 XSPYDKSKOCAMKR-HNNXBMFYSA-N 297.782 3.516 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Br)c(C)n1 187976521 FWKNKXVJKUZNIN-CYBMUJFWSA-N 297.196 3.693 30 20 CHED C=CCC1(C(=O)N(CC)Cc2ccc(OC)cc2)CCC1 188175446 VOHQQACRFJLGMV-UHFFFAOYSA-N 287.403 3.790 30 20 CHED Cn1cc(CN[C@H]2c3ccccc3CCC2(C)C)cc1C#N 191472155 GUNRNTJKDNGEKA-SFHVURJKSA-N 293.414 3.700 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)c(F)c2)cc1 191905560 CJCUCPXZVWLAHL-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C=CCCCSCC1CCC2(CC1)OCCO2 192107305 UGHVODDMQNPGGV-UHFFFAOYSA-N 256.411 3.619 30 20 CHED C=CCCC(=O)Nc1nc2c(Cl)cccc2s1 192170035 UZVMYASNUFIGMY-UHFFFAOYSA-N 266.753 3.854 30 20 CHED C=CCOc1ccccc1CNc1ccncc1C 192587075 MLLCEOLBCRSNRI-UHFFFAOYSA-N 254.333 3.567 30 20 CHED Cc1ccc(SCCN[C@H]2CCC[C@H](C#N)C2)cc1 192616681 UCMGIIPMCPUHNP-GJZGRUSLSA-N 274.433 3.759 30 20 CHED CCn1ncc2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc21 193198569 CYCGPLBQHXVFQJ-TZMCWYRMSA-N 268.364 3.550 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3c(c2)c(C)nn3C)s1 195174211 LBDINCYQXZQLKG-AATRIKPKSA-N 297.383 3.543 30 20 CHED C[C@H](CNc1nc2c(cc1C#N)CCCC2)c1nccs1 230608857 LSBMTVNZHKFSFU-LLVKDONJSA-N 298.415 3.504 30 20 CHED CS[C@@H]1CC[C@H](Nc2nc3c(cc2C#N)CCCC3)C1 231630229 NOWJZTPYKQJZFL-UONOGXRCSA-N 287.432 3.528 30 20 CHED Cc1cccnc1[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(C)C 248832800 MSSQUBSLDOCEBQ-OWCLPIDISA-N 271.408 3.759 30 20 CHED CC[C@H](CN[C@H]1CCC[C@@H](C#N)C1)Oc1cccc(C)c1 248913029 VRGOOPOBYRZNET-IXDOHACOSA-N 286.419 3.824 30 20 CHED CC(=NOCC1CCC1)c1ccc(NC(=O)C2CC2)cc1 254953808 BVHMDMKYIGAAIU-UHFFFAOYSA-N 286.375 3.576 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(F)c1)C2 255904184 MZYYVOAXGIMZAB-NTUHNPAUSA-N 298.313 3.665 30 20 CHED CC[C@H](c1ccncc1)N(C)c1ccc(Cl)c(C#N)n1 267224626 OQEHJWYQSPBSEX-CQSZACIVSA-N 286.766 3.589 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(C(=O)CC)cc1)OCC 270113146 GLCZOLJCNJPKKR-MRXNPFEDSA-N 290.359 3.556 30 20 CHED C=C(C)CCSc1nnc(Cc2ccccc2F)o1 274723137 FVISUVHLXYWGOG-UHFFFAOYSA-N 278.352 3.858 30 20 CHED C=CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1)C1CC1 275911430 WHQLFAVUFQBKAC-UHFFFAOYSA-N 287.256 3.635 30 20 CHED C=CCCN(C)C(=O)c1sc(-c2ccc(C)o2)nc1C 276371757 KIOFHQMIWVYETJ-UHFFFAOYSA-N 290.388 3.668 30 20 CHED CC#CC(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 277805544 VXQZQTLXGMFCKP-INIZCTEOSA-N 269.344 3.578 30 20 CHED C=CC[C@@H](CC)NCc1ccc(Oc2cnccn2)cc1 281219927 CYGQNRJYSYLYCL-OAHLLOKOSA-N 283.375 3.713 30 20 CHED CC[C@@H]1CCc2nc(NC(=O)[C@@](C)(C#N)CC)sc2C1 285006929 HGHVWKNVIMLEPC-MEBBXXQBSA-N 291.420 3.536 30 20 CHED Cc1ccc2ncc(C#N)c(N[C@@H]3CCOC(C)(C)C3)c2c1 292084602 YCXBOIZMTGILFF-CQSZACIVSA-N 295.386 3.784 30 20 CHED CC(C)(C)C[C@@H](NC(=O)CCCC#N)c1ccccc1 292350439 BXJJTUWYOQDEMI-OAHLLOKOSA-N 272.392 3.974 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](CC)c1nc(C)cs1 292684846 FHLCZSMRWBIAOZ-LBPRGKRZSA-N 295.452 3.804 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(-c2cccnc2)cs1 293617376 KKPVFNNQAKOPRF-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CCCCCCOc1ccc(C(=O)N(C)[C@H](C)C#N)cc1 297634012 CYNGILDVSPTRRX-CQSZACIVSA-N 288.391 3.630 30 20 CHED CCCCCCCC(=O)N1CCCc2ncccc21 298192847 BODLCEMPWSHGCC-UHFFFAOYSA-N 260.381 3.721 30 20 CHED CC(C)n1ccnc1SCCOc1cccc(C#N)c1 298780267 LMKSZCBOIUAXON-UHFFFAOYSA-N 287.388 3.507 30 20 CHED C[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 299598177 FTKKBBWRDLTXIV-AWEZNQCLSA-N 290.366 3.707 30 20 CHED Cc1ccc([C@@H](CNc2ccc(C#N)cc2F)N(C)C)cc1 301141339 IIUOPWRMMMVQEG-GOSISDBHSA-N 297.377 3.721 30 20 CHED CC[C@H]1CN(c2ccc(C#N)cn2)CC[C@H]1c1ccccc1 301421572 FGLDHFQJPLJNJT-FUHWJXTLSA-N 291.398 3.973 30 20 CHED C[C@@H]1C[C@H]1[C@@H](Nc1nccnc1C#N)c1ccc(Cl)cc1 301427269 DYXHUXSURJNUKR-YVLXSGLVSA-N 298.777 3.811 30 20 CHED CCSCc1cccc(Nc2ccc(C#N)cn2)c1 301447581 WCJQRJRRWDOJFI-UHFFFAOYSA-N 269.373 3.950 30 20 CHED CC(C)[C@@H](CNc1cccc(C#N)n1)Nc1ccccc1 301872817 XJODTMUWPYBOMK-MRXNPFEDSA-N 280.375 3.502 30 20 CHED Cc1cccc([C@H](C)Nc2nc3ccccn3c2C#N)c1C 302099278 PIHVXEDEQLUUKB-AWEZNQCLSA-N 290.370 3.996 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(c2ncc(C#N)cc2Cl)C1 302134241 LQTYNGOVZMTBTK-XHDPSFHLSA-N 298.777 3.589 30 20 CHED N#Cc1cnc(Nc2ccc3scnc3c2)c(Cl)c1 302683390 ALBMJBADWVHVGN-UHFFFAOYSA-N 286.747 3.960 30 20 CHED C=CCc1cc(C(=O)OC2CCCC2)cc(OC)c1OC 302852309 UEPGAPJYEHMEDG-UHFFFAOYSA-N 290.359 3.532 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)CCC1CCCC1 303924176 OQZJLILKCYEFGQ-UHFFFAOYSA-N 289.350 3.747 30 20 CHED Cc1cc(C#N)cc(NCc2ccncc2Cl)c1 308151157 ISCIBRPJSYUENH-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C[C@H]1CCCCN1c1cc(Br)c(C#N)cc1F 310422629 OWLDMEQPVPPYTM-VIFPVBQESA-N 297.171 3.839 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cccc2ccccc12 320185281 AGJHMQBOXGVPBI-HOCLYGCPSA-N 269.388 3.818 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 330146262 HWAVTCFQLNCPON-XOKHGSTOSA-N 296.370 3.578 30 20 CHED CCC(=O)Nc1ccc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)cc1 331300597 USQZWCCEHWXETG-SMDDNHRTSA-N 289.379 3.550 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)C1 331745527 CQSPLGDEJJEYMV-MNOVXSKESA-N 288.416 3.873 30 20 CHED N#Cc1ccccc1SCc1ncc(Cl)s1 334550942 BLPWXXSBAWIZSG-UHFFFAOYSA-N 266.778 3.960 30 20 CHED Cc1cc(NC(=O)N(C)CC(C)(C)C#N)c2ncccc2c1 336111652 AEZHRINNIMHGJT-UHFFFAOYSA-N 296.374 3.557 30 20 CHED C[C@H](C#N)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 336282617 DLPDXPBKFRDXMN-MRVPVSSYSA-N 285.174 3.504 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)s1 336585125 FQSJPISYRQBJLL-LLVKDONJSA-N 282.368 3.601 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCCc4occc43)CC2)c1 336601530 HGOKCERCFRGSTB-INIZCTEOSA-N 278.355 3.808 30 20 CHED CC[C@@H](C)[C@@H](C)N(CCCC1(C#N)CCOCC1)C1CC1 337127634 HALWUBHTLYZYHT-HZPDHXFCSA-N 292.467 3.986 30 20 CHED CC(C)(C#N)CCCCSCc1ncnn1C(C)(C)C 337890136 GYFSDPOKRRTZDY-UHFFFAOYSA-N 294.468 3.986 30 20 CHED C=C(CNCc1c[nH]nc1-c1cccs1)c1ccccc1 340435274 PTPNYOAFQRBBHI-UHFFFAOYSA-N 295.411 3.941 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CCc3cc(F)ccc32)n1 342566854 MALORLLJJUSDDB-INIZCTEOSA-N 281.334 3.809 30 20 CHED C=CCCOCCCCC(=O)N(CC)c1cccc(F)c1 342641415 QLLWCWLOIOGTSN-UHFFFAOYSA-N 293.382 3.942 30 20 CHED N#Cc1cc(N2CCC(c3c(F)cccc3F)CC2)ccn1 343015144 ZJVCBMASKLKRTH-UHFFFAOYSA-N 299.324 3.615 30 20 CHED N#CCCCN=c1[nH]c(-c2ccccc2Cl)cs1 343597630 IGEITPSVTRHRAO-UHFFFAOYSA-N 277.780 3.601 30 20 CHED Cc1cccc(Oc2ccc(NC(=O)[C@H](C)C#N)cn2)c1C 346880020 UFKTYXVIQLTACO-GFCCVEGCSA-N 295.342 3.589 30 20 CHED C=C(C)CCc1noc(C2CCC(OC(F)F)CC2)n1 347269538 SDRDVPLYTRDZAM-UHFFFAOYSA-N 286.322 3.844 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C)nc2)CCCC1(C)C 347457947 ZHHUXVXNIAPOPD-OAHLLOKOSA-N 272.392 3.597 30 20 CHED CC(C)c1cnc(SCC2(C#N)CC2)n1C(C)C 349161527 UOTLNFXAYFVMQM-UHFFFAOYSA-N 263.410 3.983 30 20 CHED C=CCCC(=O)Nc1nn([C@H](C)c2ccccc2)cc1C 351678640 JWMAWAZXGDQARH-CQSZACIVSA-N 283.375 3.706 30 20 CHED C=C(C)CCN(C)[C@H](c1cccc(F)c1)c1cnn(C)c1 352005417 RAEYHRWHVXUEGP-QGZVFWFLSA-N 287.382 3.547 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1C(C)(C)C1(C)C 352580984 PWXQENYVFSKWRA-UHFFFAOYSA-N 275.392 3.519 30 20 CHED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccoc1 354866867 JYMYIIMPCJMEBF-UHFFFAOYSA-N 292.294 3.591 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)C[C@@H](CC#N)c1ccccc1 356814808 JPWKKUIEQOYPSH-DJIMGWMZSA-N 284.403 3.721 30 20 CHED C=CCCC1(C(=O)N(C)Cc2cc(F)cc(F)c2)CC1 357135932 AGMNWHOCNJSECR-UHFFFAOYSA-N 279.330 3.670 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCC(C)(C)C1 358978731 NGINDOQEVDNQFT-AWEZNQCLSA-N 264.413 3.601 30 20 CHED CC1CCC(CC(=O)Nc2sccc2C#N)CC1 359703441 JPSCNRRLULQRNK-UHFFFAOYSA-N 262.378 3.775 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCC1 373626883 SWHTZRMCQVJAHQ-OAHLLOKOSA-N 291.435 3.731 30 20 CHED C[C@H]1CCC[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)C1 376593785 AYRJPRIZPPIIHA-DLBZAZTESA-N 297.446 3.765 30 20 CHED N#Cc1nc(N2Cc3cccc(Cl)c3C2)ccc1Cl 377137985 BQZDYPPNNZMDOE-UHFFFAOYSA-N 290.153 3.780 30 20 CHED Cc1nc(N2C[C@@H](C)CC2(C)C)c(Cl)cc1C#N 380383683 OMMYRKGBGNWXLH-VIFPVBQESA-N 263.772 3.540 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1ccc(CC#N)cc1 399134468 PTOXRJIBWUQTOA-CYBMUJFWSA-N 282.412 3.933 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC(F)(F)C2)c1 409645697 BMSXFAQQQWXSPM-NSHDSACASA-N 295.289 3.704 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1cc(C)cc(C)c1 410117842 GHNPCDXIOGDHPA-INIZCTEOSA-N 259.393 3.707 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Oc1ccc(SC)cc1 410124194 VXFUTLHMTUPYAJ-QWHCGFSZSA-N 293.432 3.647 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H]1CCc2ccccc2C1 410127976 DZRUBJUCAQOZIX-YOEHRIQHSA-N 271.404 3.653 30 20 CHED C[C@@H](C(=O)N(C)c1cc(Cl)ccc1C#N)C1CCC1 410560014 UDWJCKSFBFYYIX-SNVBAGLBSA-N 276.767 3.611 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N[C@@](C)(C#N)CCSC 410856009 XLMSIKIJIPYREV-DZGCQCFKSA-N 284.469 3.600 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)c(OC)c(F)c1OC 411054182 ZWZVEVVVVRAGBN-OAHLLOKOSA-N 299.317 3.523 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ncc(C)o1 411170125 WJYPCTGBQHWRIY-AWEZNQCLSA-N 283.375 3.828 30 20 CHED CO[C@H]1c2ccccc2C[C@H]1NCCC1(C#N)CCCCC1 411898600 ZXZLVUDDMXAUIW-MSOLQXFVSA-N 298.430 3.753 30 20 CHED CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 412116919 HTXHBXRFRNIOTE-JCGIZDLHSA-N 296.414 3.700 30 20 CHED Cc1cc(C)cc([C@@H](C)Nc2ncc(C#N)cc2F)c1 413136133 NLYLVAXWMHEWGE-GFCCVEGCSA-N 269.323 3.882 30 20 CHED C[C@@H]1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CS1 414224347 HOQVFNOSFHEADR-ISTRZQFTSA-N 286.444 3.809 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CCC[C@H](C#N)C2)C1(C)C 414336349 PJCLVVUGUCYTEG-ZQDZILKHSA-N 278.440 3.641 30 20 CHED N#CC1(CN=c2[nH]c3cc(Cl)cc(Cl)c3o2)CCC1 419028577 XBHCEEGLHCZYPA-UHFFFAOYSA-N 296.157 3.662 30 20 CHED COC(=O)c1cc(CSc2ccc(C#N)cc2)oc1C 426586448 LRLLBNQHJDTTGM-UHFFFAOYSA-N 287.340 3.539 30 20 CHED CCSc1cccc(CNCC2(CC#N)CC2)c1 430007172 QPEXLHJUNAUUCX-UHFFFAOYSA-N 260.406 3.582 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2C)C1 432281163 BYXPGECKQBEQQP-HIFRSBDPSA-N 285.391 3.957 30 20 CHED Cc1ccc(C(=O)COc2ccc(C#N)c(C)c2)cc1C 434647613 VFICOADPWAASGP-UHFFFAOYSA-N 279.339 3.745 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(OCC2CC2)CC1 442680393 QSNMYXHFOGKILK-CQSZACIVSA-N 284.403 3.510 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@H](c3cccc(F)c3)C2)C1 442869741 FFLBNEUMYIPQTR-NQZOLGFYSA-N 272.367 3.744 30 20 CHED C=CCCCCCN(C)Cc1cc(C(F)(F)F)n[nH]1 442883449 HGELTTWXZZBVHS-UHFFFAOYSA-N 275.318 3.607 30 20 CHED Cc1cc(NC(=O)Nc2ccc(F)cc2C#N)cc(C)c1O 443591725 LFRJSRDGDMJYDT-UHFFFAOYSA-N 299.305 3.664 30 20 CHED Cc1sc(NC(=O)CC[C@H]2CC[C@@H](C)O2)c(C#N)c1C 443819666 XJLIWYPWTVGVID-BXKDBHETSA-N 292.404 3.523 30 20 CHED C=CC[C@@H]1N(CCO[C@H]2CCCCO2)CCCC1(C)C 444783970 MGFORZCDLYULLM-HOTGVXAUSA-N 281.440 3.596 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCS2)CCCCC1 450090033 JTBZBEVVQZOLIJ-ZDUSSCGKSA-N 267.438 3.525 30 20 CHED C=CCN(CC1CCCCC1)C[C@@H]1C[C@H]2CC[C@H]1O2 450402380 KMDUXTCDBZWHRV-GVDBMIGSSA-N 263.425 3.622 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nnc(CCc3ccccc3)o2)C1 450855003 FHRZOVZOIPIKMZ-KGLIPLIRSA-N 299.399 3.639 30 20 CHED N#CCCC[C@@H](NCC1(C#N)CCC1)c1ccccc1 451065745 SBTLZGKYWKMCJH-MRXNPFEDSA-N 267.376 3.705 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cccc(OC/C=C/C)c1 451419112 KRDDZTFQZUUHFL-IEXSPKMKSA-N 287.403 3.655 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Oc1ccc(SC)cc1 452778478 XVIFSAAMAACFER-LBPRGKRZSA-N 293.432 3.504 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CC23CCSCC3)n1 453192173 YLJOSMRBCDVDJR-NSHDSACASA-N 278.421 3.924 30 20 CHED CCC[C@H](OC)c1noc(C2(c3cccc(C#N)c3)CC2)n1 453200355 RNJAOKCGGVAWAV-AWEZNQCLSA-N 297.358 3.509 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1cccc(C)c1C 455381860 IIXACUSEWNZBDV-UHFFFAOYSA-N 274.408 3.657 30 20 CHED CC(C)C1(NC(=O)Nc2ccc(CC#N)cc2Cl)CC1 455724924 CJIKFXUUVOBLQC-UHFFFAOYSA-N 291.782 3.716 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)ccc1CN(C)C 459740056 LLTVRAGGSASANT-UHFFFAOYSA-N 273.424 3.799 30 20 CHED C=CCN(CC=C)c1nnc([C@H](C)CC)n1CC(=C)C 460767620 CJZJAKUHOUUVNW-CQSZACIVSA-N 274.412 3.546 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2cccc(F)c2C#N)C1(C)C 463481606 FNOLPQYBQJXZSE-LSDHHAIUSA-N 276.355 3.701 30 20 CHED C=C[C@H](C)NC(=O)c1csc(-c2ccc(Cl)s2)n1 465105927 BTKBPCNASIKBIE-ZETCQYMHSA-N 298.820 3.829 30 20 CHED N#Cc1ccc(OCCCOCCc2ccccc2)cc1F 469087926 QHVUROLGJQPURK-UHFFFAOYSA-N 299.345 3.726 30 20 CHED C=CCCCCNC(=O)c1sc(C(C)(C)C)nc1C 471700506 BMJMNWMSXMFHMB-UHFFFAOYSA-N 280.437 3.835 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C 473842137 IIEBYHUYLJXASI-CABCVRRESA-N 293.451 3.833 30 20 CHED C=CCCCSCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 477007111 UTXLETLHQTVDGX-GJZGRUSLSA-N 281.465 3.867 30 20 CHED C=C(C)CN(C)[C@H](C)c1ccc(OC(F)F)cc1 481313800 HODPBXIWKKBRKP-LLVKDONJSA-N 255.308 3.857 30 20 CHED C[C@@H]1[C@@H](CNC(=O)c2cccc(CC#N)c2)CCC[C@H]1C 482681449 SMJKXYQOVXMHBN-JKIFEVAISA-N 284.403 3.555 30 20 CHED CC(C)c1ccc2occ(C(=O)N[C@]3(C#N)CC3(C)C)c2c1 484903775 AEHSGCRGSMSOIV-SFHVURJKSA-N 296.370 3.978 30 20 CHED Cc1ccnc2[nH]c(S[C@@H](C)c3cccc(C#N)c3)nc12 485978264 BMEPFULBPZQIMR-NSHDSACASA-N 294.383 3.991 30 20 CHED Cc1cc(CN[C@H]2CCCO[C@@H]2CC(C)C)ccc1C#N 488078739 RJFMTFJWHAEBNX-ZWKOTPCHSA-N 286.419 3.550 30 20 CHED Cc1cc(CN2CCC[C@@H]2c2cccn2C)ccc1C#N 488197421 GNPJWZJTHNQURE-GOSISDBHSA-N 279.387 3.542 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 488567288 QFKZIOSLHPKBAM-INIZCTEOSA-N 298.361 3.791 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccccc1OCC1CC1 488845231 YPQYJVQRUPDYNS-HNNXBMFYSA-N 285.387 3.656 30 20 CHED Cc1cccc([C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C)c1 488871381 PZNXLXIHEAGVSD-INIZCTEOSA-N 295.386 3.712 30 20 CHED CCCC[C@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 500549379 WTEGYCOJIFIOJX-JTQLQIEISA-N 264.756 3.976 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 502475794 WVQGXTVEGSBGAT-UXIGCNINSA-N 285.391 3.813 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(C)cc1C 502582166 RBBJRARDPCKBIK-JKSUJKDBSA-N 289.419 3.804 30 20 CHED CCc1cccc(OCCN(C)Cc2cccc(C#N)c2)c1 506135145 KQGMENMNYMBDSC-UHFFFAOYSA-N 294.398 3.631 30 20 CHED C=C1CCN(Cc2cc(OC)ccc2Br)CC1 513489774 JWFHZEPCDLEYRD-UHFFFAOYSA-N 296.208 3.610 30 20 CHED Cc1ccc2c(c1)[C@@H](NCCc1cccc(C#N)c1)[C@H](C)C2 514692204 NPCZIDBCVWIWOC-QRWLVFNGSA-N 290.410 3.932 30 20 CHED Cc1cc(OCCC[C@@H](C)NC[C@H](C)C#N)ccc1Cl 515389580 IQHCWCIRWWTNQS-TZMCWYRMSA-N 294.826 3.945 30 20 CHED CC(C)Oc1ccccc1COc1ccc(C#N)cc1 515598237 JRLBUWKHCNBQCF-UHFFFAOYSA-N 267.328 3.924 30 20 CHED N#Cc1ccc(COc2ccc3ncncc3c2)c(Cl)c1 521891019 PMGGXQHDBUSLSN-UHFFFAOYSA-N 295.729 3.734 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCCSC 522999439 DDVJVBWUISFFIV-UHFFFAOYSA-N 284.469 3.517 30 20 CHED CC1(C#N)CCN(C(=O)Nc2ccc3occc3c2)CC1 529279019 RWBUGLXSFHFDIU-UHFFFAOYSA-N 283.331 3.590 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@]2(CCc3ccccc3O2)C1 529906207 XETMIQOVRIMRNO-LJQANCHMSA-N 299.414 3.585 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNCc1cc(C#N)cs1 531356465 NWGKWTNVAHZANV-TZMCWYRMSA-N 262.422 3.926 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1CCC)OCC 533716156 CYAVVGHYLJFUJX-XHSDSOJGSA-N 281.440 3.833 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](CCCC)C1CCC1)OCC 534417312 FIMUKJMJUDZHJV-CVEARBPZSA-N 281.440 3.833 30 20 CHED C=C(C)[C@H](CC(=O)NCC(CC)(CC)CC)OCC 535911688 UYPJKNOLIYRPTQ-AWEZNQCLSA-N 269.429 3.690 30 20 CHED C=C(CC)CSc1nc2ccccc2n1CCOC 536901712 VSAWYQUALMNZAY-UHFFFAOYSA-N 276.405 3.741 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCc2c(Cl)cccc21 538603647 DBVWLMVLSJXIQW-ABAIWWIYSA-N 292.810 3.981 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(C)nn1C(C)(C)C 539451064 KUZVULWXKRMWQE-GFCCVEGCSA-N 292.427 3.813 30 20 CHED C=CCNC(=O)CS[C@@H](C)c1ccc(C(C)C)cc1 541293232 RCYDOVPFXJXYPV-ZDUSSCGKSA-N 277.433 3.906 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCCC(C)(C)C#N 543472297 VSGIBUDACMROFL-RBSFLKMASA-N 250.430 3.977 30 20 CHED C=C(C)CN1CCC(NC[C@H]2CCC[C@H](CC)C2)CC1 544111902 GYDZGDCNAAZTLE-IRXDYDNUSA-N 278.484 3.833 30 20 CHED CC[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1OC(F)F 544431995 FWSRTWHFUBDXPT-WDEREUQCSA-N 282.334 3.684 30 20 CHED CC1(C)CC(CNC(=O)N[C@H](CCC#N)c2ccccc2)C1 548691260 COKNQFRLXHRLIM-MRXNPFEDSA-N 299.418 3.767 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CC(=O)c3ccccc32)n1 551135312 CLLPNRKHKSNDGY-CYBMUJFWSA-N 282.343 3.642 30 20 CHED CC(C)(C#N)CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 558116444 ISQIKJLFYDFYGK-HUUCEWRRSA-N 292.810 3.699 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Br)cc1O 563528749 DMNPMSPWEXOFII-UHFFFAOYSA-N 298.180 3.696 30 20 CHED C=CC[C@H](CC)N[C@H]1CCc2c1ccc(OC)c2F 564153810 WRTYHJITYLAQKT-FZMZJTMJSA-N 263.356 3.766 30 20 CHED Cc1cc(C#N)c(=O)n(Cc2ccc(SC(C)C)cc2)c1 564961215 UIZCVNDGWLWQED-UHFFFAOYSA-N 298.411 3.577 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H]1CCC[C@@H]1F)c1ccccc1 565146990 WMAUQEXGJMUMDW-OWCLPIDISA-N 275.367 3.743 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 567370231 GEESNFNPRRKTNO-QISBLDNZSA-N 268.404 3.960 30 20 CHED CC(C)CC1(C)CCN(Cc2ccc(C#N)cn2)CC1 569589051 VNUNTBPSWQUDGU-UHFFFAOYSA-N 271.408 3.601 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@@H](C)CC[C@H]1C 569857684 JWXYSYVWUSLRKC-UONOGXRCSA-N 288.439 3.747 30 20 CHED C=CCOCCCOc1cnc2ccc(Cl)cc2c1 579030929 GTRQZOAILNGZEW-UHFFFAOYSA-N 277.751 3.860 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CCCCCC#N 588160642 GLPHERDIDYPXRG-NVXWUHKLSA-N 284.403 3.865 30 20 CHED CC(C)(NC(=O)CCCCCC#N)c1cccc(F)c1 588928651 ACVPWOIHXAEIBK-UHFFFAOYSA-N 276.355 3.651 30 20 CHED Cc1cc(C)cc(Cc2noc(CCCCCC#N)n2)c1 589086035 OORCNUYSAHDAAD-UHFFFAOYSA-N 283.375 3.904 30 20 CHED N#CC1(CCN2C[C@@H](CO)Cc3ccccc32)CCCCC1 591037890 CXIVWUVUHDNTIX-INIZCTEOSA-N 298.430 3.522 30 20 CHED CC[C@@H](OCCN1CCC[C@@](C)(C#N)C1)c1ccccc1 593023644 YKTDYTMSVMRYRJ-MSOLQXFVSA-N 286.419 3.780 30 20 CHED CC1(C)C[C@H](Nc2cccc(C#N)n2)c2cc(F)ccc2O1 593496363 OVJMLAOXDGTARM-AWEZNQCLSA-N 297.333 3.807 30 20 CHED N#CCC1(CNc2ccc(C(F)(F)F)c(F)c2)CC1 593931291 HTSDSOVNEYOWPR-UHFFFAOYSA-N 272.245 3.950 30 20 CHED CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 593981814 UIPYAQMOPBJVOZ-JKSUJKDBSA-N 298.430 3.776 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C 594456534 PTWDSKLHKRDFAM-OAHLLOKOSA-N 299.418 3.765 30 20 CHED N#Cc1ccc(CCN[C@H]2CCC[C@H]2CCCF)cc1 595056212 RSNCMHXUYDWTCT-IRXDYDNUSA-N 274.383 3.609 30 20 CHED N#CCCN(Cc1ccco1)Cc1nsc2ccccc12 595332271 ILKALSXVALLJPQ-UHFFFAOYSA-N 297.383 3.805 30 20 CHED N#Cc1[nH]c(=N[C@H]2CCCc3sccc32)sc1Cl 596195946 OSYUQKOOMSHJLZ-QMMMGPOBSA-N 295.820 3.641 30 20 CHED Cc1cc(CSCCCC(C)(C)C#N)nc(C)n1 596374704 HDEMCGRJSVMCPA-UHFFFAOYSA-N 263.410 3.657 30 20 CHED CC(C)COc1ccc(CN2CCC[C@H](CC#N)C2)cc1 597173931 NWSIYFUXGNTDCG-MRXNPFEDSA-N 286.419 3.847 30 20 CHED Cc1ccc(O)c(NC(=O)CC2(C#N)CCCCC2)c1 597440625 AYSBUXJQRNFDPY-UHFFFAOYSA-N 272.348 3.503 30 20 CHED Cc1ccc(C(C)(C)NC(=O)CC2(C#N)CCCCC2)cn1 597503190 AJQSMUQYWYUDJW-UHFFFAOYSA-N 299.418 3.606 30 20 CHED CCc1ccc(C(C)(C)C(=O)N2CCC[C@@H](CC#N)C2)cc1 597908213 OZKPOYZNMZZEDS-INIZCTEOSA-N 298.430 3.679 30 20 CHED CCCC[C@@H](C(=O)N(CC#N)C1CCCC1)C(C)C 598814292 CGXVFHCXFXUQOO-OAHLLOKOSA-N 264.413 3.744 30 20 CHED C[C@H](CC#N)NCC/C=C\c1ccc(Br)cc1 600603622 NUSPVKPKVWHHQU-DTRQGZQOSA-N 293.208 3.744 30 20 CHED CCCC[C@@H](C)C(=O)N(CC#N)c1ccc(F)cc1C 602392589 OFGOSAKKNOYVMD-GFCCVEGCSA-N 276.355 3.817 30 20 CHED C[C@H](CCC#N)CN1CC=C(c2ccc(F)cc2)CC1 602430140 LAGPGCHIAMRRHH-CQSZACIVSA-N 272.367 3.855 30 20 CHED CCOc1ccccc1[C@H](CC)NCc1cccc(C#N)n1 602528376 AJEDVMBQRHWICJ-KRWDZBQOSA-N 295.386 3.593 30 20 CHED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)CC1(CC#N)CC1 602764131 CJYOVLYDHJYTQK-QZTJIDSGSA-N 298.430 3.780 30 20 CHED C[C@@H](CCC#N)N1CCc2ccc(C(F)(F)F)cc2C1 602928694 OQPXFUBQCAPSTQ-NSHDSACASA-N 282.309 3.756 30 20 CHED N#Cc1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1 603835641 CZOUHSXSMAGDNB-UHFFFAOYSA-N 297.321 3.559 30 20 CHED N#Cc1cccc(CNCc2cc3c(s2)CCCC3)c1 604473804 KSLZQJDNMYNHTI-UHFFFAOYSA-N 282.412 3.788 30 20 CHED Cc1ccc(F)c(CN[C@H](C)c2cccc(C#N)c2)c1 610344607 AHQWQGIKULECLW-CYBMUJFWSA-N 268.335 3.857 30 20 CHED CC(C)c1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)on1 611392668 CEWJBDOVFVDCRB-QGZVFWFLSA-N 295.386 3.837 30 20 CHED CCN(Cc1ccoc1)c1ncc(Cl)c(C)c1C#N 612075703 VJFHBYKJMCNNIV-UHFFFAOYSA-N 275.739 3.535 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 612314982 SOTBOUHSJBNJMF-AWEZNQCLSA-N 295.745 3.637 30 20 CHED CC[C@@H](C)[C@@H](C)NCc1ccc(C#N)cc1Br 612462170 BAAXCEIFOZZKAR-GHMZBOCLSA-N 295.224 3.845 30 20 CHED CC[C@H](C)Oc1cc(CN[C@H](CC)CC#N)ccc1OC 613044492 YBGMZYKBKXNVGC-DZGCQCFKSA-N 290.407 3.654 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 614374525 YZBVESODTNEVMP-DLBZAZTESA-N 287.403 3.521 30 20 CHED CC(C)(C#N)c1ccc(CN2CC[C@H]3CCC[C@H]32)cc1 614600422 IRNLJINEDLLKPU-NVXWUHKLSA-N 268.404 3.862 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(C(C)C)n2)C1 617783051 SBJVWQMTITXYIH-AWEZNQCLSA-N 272.392 3.633 30 20 CHED Cc1ccc(C)c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 618787979 QBTHZOWBXWKXLE-GOSISDBHSA-N 290.366 3.592 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(Cl)ccc1F 620864144 RWCFWDPHUSPQAM-UHFFFAOYSA-N 269.747 3.954 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F 629272122 SOOASTSZDQCGKD-GXTWGEPZSA-N 279.330 3.539 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 648085188 XRKQVUORVUHZJU-UHFFFAOYSA-N 285.309 3.876 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(C(F)F)cc1F 653860888 UDHVUQQKCLKLEH-UHFFFAOYSA-N 271.282 3.705 30 20 CHED C=C(CC)CNC(=O)c1c(C)ccc(Br)c1C 654373047 DPQIBMUTYDSBNB-UHFFFAOYSA-N 296.208 3.762 30 20 CHED C=CCN(Cc1noc(-c2ccsc2)n1)C(C)(C)C 661754893 FVJYDCKIFNGTRX-UHFFFAOYSA-N 277.393 3.585 30 20 CHED CCCC(=O)c1ncccc1NCC1CCC(C#N)CC1 663873552 DZHFHYCJUJWZBJ-UHFFFAOYSA-N 285.391 3.806 30 20 CHED C=C(C)CCc1noc(CCCn2cnc3ccccc32)n1 671670945 QHHXQXNQCBJKAL-UHFFFAOYSA-N 296.374 3.561 30 20 CHED C=C(CNC(=O)[C@H]1CCC[C@@H](C)C1)c1ccccc1 672482815 IIRSOGNXTYUGBF-CJNGLKHVSA-N 257.377 3.642 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC(F)(F)C2)cc1OC 675644799 FAWARRRUKKPTEA-CYBMUJFWSA-N 297.345 3.537 30 20 CHED C=C[C@@H](C)N[C@H](COC)c1cccc(C(F)(F)F)c1 675933409 DLTNWLYYBDHLNT-ZWNOBZJWSA-N 273.298 3.557 30 20 CHED COCC#CCN(C)[C@H](C)c1ccc(Cl)cc1Cl 677132573 GIQNTEJQIBRBAC-LLVKDONJSA-N 286.202 3.636 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(C(F)F)cc1 684768133 ZHBOIUDTKAYAMV-LSDHHAIUSA-N 281.346 3.695 30 20 CHED C#C[C@H](NC(=O)c1cc2cc(C)ccc2o1)C(C)(C)C 702236113 ITSIEBKSSQRXMO-HNNXBMFYSA-N 269.344 3.519 30 20 CHED CCCCCCCCCNC(=S)Nc1cnn(CC)c1 726128192 WUWOAHJXBOUBNZ-UHFFFAOYSA-N 296.484 3.940 30 20 CHED Clc1ccccc1C=NNc1nc(-c2ccccc2)no1 726739220 GUQXYRQZKNIPQG-UHFFFAOYSA-N 298.733 3.836 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2ccc(F)cc2)c1 727745243 UTIPROANQAXITO-WTKPLQERSA-N 281.286 3.624 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(F)c(C#N)c1 728176149 JPZOQLWIXPHTCB-HZMBPMFUSA-N 291.395 3.562 30 20 CHED C#Cc1cccc(N(CC)Cc2ccccc2[N+](=O)[O-])c1 728574400 BDWQUUZLNORWHG-UHFFFAOYSA-N 280.327 3.603 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccccc2)ccc1F 729142030 LJNBCWJBMNDDPT-CYBMUJFWSA-N 256.324 3.819 30 20 CHED C[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1Cl 729145058 HMYAVAPVIFXGAI-MRVPVSSYSA-N 267.716 3.836 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(F)c2F)ccc1O 730729389 HZWVPNKHAJMNNK-YVMONPNESA-N 274.266 3.875 30 20 CHED Fc1cc(F)c(NN=Cc2ccccc2F)cc1F 734302864 SJQLHNLPFSWMID-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C=CCCCOC(=O)CSc1ccc(OCC)cc1 735531876 IQDVXOPLMWSRHL-UHFFFAOYSA-N 280.389 3.687 30 20 CHED C=CCCCOC(=O)/C=C(/C)Cc1ccccc1OC 735534508 SDVREWLNSOXKSR-YPKPFQOOSA-N 274.360 3.693 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CCC(C)(C)c2ccccc21 736398665 CFKXPNWJHIXFCI-AWEZNQCLSA-N 292.810 3.851 30 20 CHED COc1cccc(/C=N/[C@@H](C)Cc2ccc(C)s2)c1O 737440051 AQMWRCPHTZRQQY-MUOOZZNISA-N 289.400 3.821 30 20 CHED CCCCCCCC(C)=NNc1ccnc(N(C)C)n1 739413168 IUSDFSXKDSZCKE-UHFFFAOYSA-N 277.416 3.691 30 20 CHED C#Cc1cccc(NC(=O)CCCC2CCCC2)c1 742511923 PMYLZWOVJQEKEE-UHFFFAOYSA-N 255.361 3.967 30 20 CHED CCOc1cccc(C(C)=NNc2cccc(C#N)c2)c1 743531052 BURPSCHQLSXQAJ-UHFFFAOYSA-N 279.343 3.793 30 20 CHED C=C(C)CCOC(=O)c1cc2ccc(F)cc2nc1C 744303571 INXCLYOFSAGJNX-UHFFFAOYSA-N 273.307 3.805 30 20 CHED N#Cc1ccc(C(=O)OCCCC2CCCC2)cc1 744474822 ALQNTUYCYZGSLZ-UHFFFAOYSA-N 257.333 3.685 30 20 CHED CCc1ccc(-c2ccc(C(=O)O[C@@H](C)C#N)o2)cc1 745595525 UWWDJULQVDXLDG-NSHDSACASA-N 269.300 3.578 30 20 CHED CC(=NNc1nc(C)cc(C)n1)[C@H](C)c1ccccc1 746368708 YOSCDNLCHGMEFF-ZDUSSCGKSA-N 268.364 3.685 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cc(-c2ccccc2)ns1 747230284 YMKUQJFQTHEHAC-ZDUSSCGKSA-N 286.356 3.515 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccccc1C#N 748445849 HASFDFVCDHTMQR-GJZGRUSLSA-N 297.379 3.775 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(-c2ccccc2)cc1 750575685 ZXXVOVWYMZQWCS-QGZVFWFLSA-N 278.355 3.776 30 20 CHED C=C(Cl)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 752076526 XORVXLLUJLFIHW-HUUCEWRRSA-N 260.768 3.511 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)cs1)c1cc(F)cc(F)c1 755396333 XWBUHOPJRSKUOZ-MRVPVSSYSA-N 293.294 3.816 30 20 CHED C[C@H](C=NO[C@@H]1CCCCO1)CCc1ccccc1 755815470 SHBPKOJCDBDKRY-GOEBONIOSA-N 261.365 3.784 30 20 CHED CC(=NNc1cccc(Br)c1)c1ccoc1 755891862 HZPAELAOUHJSQN-UHFFFAOYSA-N 279.137 3.878 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1ccccc1O 757473602 DJSXXNZZIYXBDQ-HJWRWDBZSA-N 260.239 3.567 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(F)cc2O)cc1 757475075 GTYRRKJJVYLLGL-RMKNXTFCSA-N 286.302 3.574 30 20 CHED C[C@H]1C[C@@H]1C=NNc1nc(-c2ccccc2)cs1 758370441 DEVLWCVBHSCAOV-CMPLNLGQSA-N 257.362 3.864 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C)cc1OCCC 758586443 ULEQWMQNUOAEJP-UHFFFAOYSA-N 288.391 3.709 30 20 CHED FC(F)CON=C1CCC[C@H]1Cc1ccccc1 758903541 HKCOOAQNKJHJAE-LBPRGKRZSA-N 253.292 3.667 30 20 CHED COc1ccc(/C=C2/Cc3c(OC)cccc3C2=O)cc1 759665926 SAERGJYHKBYDBH-RAXLEYEMSA-N 280.323 3.526 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@@H]1CC12CCC2 759821083 GMVKIYBOFTWSKR-AWEZNQCLSA-N 272.344 3.519 30 20 CHED Oc1nc2ccccc2cc1/C=N/C1CCC(F)(F)CC1 761181864 SGLGJQCMCWDORI-VXLYETTFSA-N 290.313 3.937 30 20 CHED CC(=NNc1ccccc1)c1nc2c(s1)CCCC2 761247767 AKPCRSJJESLOGZ-UHFFFAOYSA-N 271.389 3.858 30 20 CHED CCNc1ccc(C#N)cc1NCCc1ccccc1F 762261252 AOEUBOUGEKPHAN-UHFFFAOYSA-N 283.350 3.784 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)C1CCC(F)(F)CC1 763252668 OSVLKGYLTMJDAI-AWEZNQCLSA-N 288.334 3.527 30 20 CHED Cc1cc(OC(=O)C[C@@H]2CC[C@H](C)C2)ccc1C#N 765093150 GGGAESIVQPGLRO-WCQYABFASA-N 257.333 3.598 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2F)ccc1C#N 766432734 ZMYJJTLRMIEBIV-UHFFFAOYSA-N 271.270 3.591 30 20 CHED C#C[C@H](OC(=O)c1cc2cc(F)ccc2s1)C1CC1 767530012 ZFUWZBRZLIXPCK-LBPRGKRZSA-N 274.316 3.609 30 20 CHED C[C@@H](C(=O)OCc1ccccc1C(C)(C)C#N)c1ccco1 768026748 BYWDQCPWYNLIHJ-CYBMUJFWSA-N 297.354 3.928 30 20 CHED C#Cc1cccc(NCc2cccc(OC(C)(C)C)n2)c1 768385573 OGHHMTJIKWWQJL-UHFFFAOYSA-N 280.371 3.852 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1(C)CCCC1 768460283 STCRLLFHAVUFIV-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CCc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1N 768754236 QTGCJIIAIACCPM-UHFFFAOYSA-N 288.391 3.708 30 20 CHED C[C@@H]1CCCCC1=NNc1ccnc(Br)c1 769809371 BOBNEKDXKYYHKF-SECBINFHSA-N 282.185 3.822 30 20 CHED CC(=NNCC(F)(F)F)c1cccc2ccccc12 769824051 GPLFGQMTYNCKJH-UHFFFAOYSA-N 266.266 3.716 30 20 CHED C=CCN(C(=S)Nc1cccc(Cl)c1C)C1CC1 771548838 RNMIJSQAFDQRQJ-UHFFFAOYSA-N 280.824 3.996 30 20 CHED C=C(Cl)CNC(=O)C[C@H](C)Cc1ccc(Cl)cc1 771675613 NVKXXJSLQIGUPF-SNVBAGLBSA-N 286.202 3.777 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])c1 772798127 SPODTGJOLDEWKV-VMPITWQZSA-N 297.310 3.813 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H]2CCC[C@H]2C)cc1 772960969 XDAAJHQZHUXGSU-KEYYUXOJSA-N 257.377 3.538 30 20 CHED C[C@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 774044181 JDVMCUYRBMDGIJ-UONOGXRCSA-N 279.339 3.966 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCC[C@@H]1CO 775552683 JXKYOULUUXKRSC-JKSUJKDBSA-N 283.456 3.747 30 20 CHED COc1ccc([C@@H](C)CN(CCC#N)CC(C)C)cc1 775643968 WRPBNTKGWZOKPY-HNNXBMFYSA-N 274.408 3.670 30 20 CHED C=C(C)CCOC(=O)CCc1ccc2[nH]ccc2c1 776095164 XMSJRNKSZGPLDQ-UHFFFAOYSA-N 257.333 3.610 30 20 CHED C[C@@H]1CC[C@H](CC(=O)OCc2ccc(CC#N)cc2)C1 776113186 BXLYMFYFPPVOSW-CJNGLKHVSA-N 271.360 3.622 30 20 CHED N#CCc1ccc(COC(=O)CCc2ccc(F)cc2)cc1 776114867 SRQOPJZWEPZWOA-UHFFFAOYSA-N 297.329 3.568 30 20 CHED Cc1ccc(Cl)c(NC(=O)Cc2ccccc2CC#N)c1 777028584 SFBNJNHVLPAASX-UHFFFAOYSA-N 298.773 3.896 30 20 CHED C[C@@H](Cc1cccc(F)c1)NC1(c2cccc(C#N)c2)CC1 777249604 MSWPAPANZBVMPG-AWEZNQCLSA-N 294.373 3.907 30 20 CHED CCOc1ccc(/C=N/[C@H]2CC(C)(C)OC2(C)C)c(O)c1 777873861 VIIILYORQFXRQS-LZNAANCOSA-N 291.391 3.556 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1C 779276080 TXCJFESXRLTZOE-GPCCPHFNSA-N 293.313 3.818 30 20 CHED C#CCCCCCC(=O)N(CC=C)c1ccccc1 779776851 KBGTXTJDYVEPFI-UHFFFAOYSA-N 255.361 3.789 30 20 CHED CC(=NN=c1cc[nH]cc1)c1cc(Cl)ccc1Cl 779810072 ZOLCPJLKPPVGDA-UHFFFAOYSA-N 280.158 3.646 30 20 CHED CCC(=NNc1ccc2[nH]ncc2c1)c1cccs1 779819456 SSPRQZHYMHQSTR-UHFFFAOYSA-N 270.361 3.851 30 20 CHED CCCCCCCNC1CCN(CCC(F)(F)F)CC1 780737730 PVBCMOQWKRUTLY-UHFFFAOYSA-N 294.405 3.963 30 20 CHED CC(C)c1ncc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 785617642 RCPLDTXRJXNTCZ-MRXNPFEDSA-N 297.427 3.915 30 20 CHED C(=NNC1CCCCC1)c1coc(-c2ccccc2)n1 786042443 WYXOSSNGSBOOHF-UHFFFAOYSA-N 269.348 3.598 30 20 CHED C#CC(C)(C)N(C)Cc1csc(-c2ccccc2F)n1 787998049 WCAGMMHUSXDROM-UHFFFAOYSA-N 288.391 3.793 30 20 CHED Cc1cccnc1NN=C/C=C\c1ccc(F)cc1F 790190178 GMBRIAFSXKCVGC-QWOCTODRSA-N 273.286 3.779 30 20 CHED C#C[C@H](CCC)NC(=O)NCc1cccc(Cl)c1Cl 791023411 WYZJHALTHGNJFI-LLVKDONJSA-N 299.201 3.595 30 20 CHED C=CCOCCCC(=O)OCc1cccc(C(F)F)c1 791764897 VBLMQGJJTFYJQZ-UHFFFAOYSA-N 284.302 3.650 30 20 CHED C=CCCCCC[C@H](C)NC1CCN(CCC)CC1 793521175 VPRJUSKESFNUBD-INIZCTEOSA-N 266.473 3.975 30 20 CHED N#Cc1ccc(F)c(COC(=O)/C=C\c2ccccc2F)c1 794493113 AEQDLQYDDKPOHF-VURMDHGXSA-N 299.276 3.593 30 20 CHED CC[C@H](/N=C\c1ccccc1O)c1ccc(OC)c(OC)c1 794678206 ZMBTTZKPKNYFRT-CCRNYGKSSA-N 299.370 3.980 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2ccnc(F)c2)c1 794720554 RZAZFDAXYRLGGS-AATRIKPKSA-N 255.292 3.734 30 20 CHED Cc1c(NN=C2CCC[C@H]2CCF)cccc1[N+](=O)[O-] 794904840 MEHUHEVASRHRAS-NSHDSACASA-N 279.315 3.831 30 20 CHED C=CC[C@H](NC(=O)c1cc[nH]c1C(C)C)c1ccncc1 796481595 GHDYQXSWTNNFOQ-HNNXBMFYSA-N 283.375 3.580 30 20 CHED C=CCC(C)(C)C(=O)OC[C@H](C)c1ccc(OC)cc1 797011686 FPXNWUIKZYEAMN-ZDUSSCGKSA-N 276.376 3.944 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1c(C)noc1C 797287466 YRUXOEHZCMWSKC-FPLPWBNLSA-N 271.316 3.505 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2cc(C#N)oc2C)cc1 797956605 HCWVJRYMMIFAMN-NSHDSACASA-N 269.300 3.686 30 20 CHED C=CC[C@H](CC)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C 798937194 PALWDQPDINGTRO-MJBXVCDLSA-N 284.444 3.623 30 20 CHED C=CCCCCCCNC(=O)c1csc([N+](=O)[O-])c1 805218708 KOJTVJAKWRAXRB-UHFFFAOYSA-N 282.365 3.523 30 20 CHED C=CCCCCCCNC(=O)c1sccc1C 805221990 ZLMGLYHQMDXNTC-UHFFFAOYSA-N 251.395 3.923 30 20 CHED N#CCCCCCC(=O)Oc1ccccc1Cl 805846143 BWZNJLAOXIFPCJ-UHFFFAOYSA-N 251.713 3.719 30 20 CHED C=CCCCCCCNC(=O)N1CCc2ccsc2C1 806004837 XGRNJTOWMJGYQF-UHFFFAOYSA-N 292.448 3.952 30 20 CHED Cn1ccnc1NN=C(CCC(C)(C)C)c1cscn1 807985703 SAJIQPIYGFKAQM-UHFFFAOYSA-N 291.424 3.519 30 20 CHED Cc1cc(OC(=O)c2ccoc2Cl)c(C)c(C)c1C#N 809034916 INSQGQKSTUFYOF-UHFFFAOYSA-N 289.718 3.949 30 20 CHED C#Cc1ccc(CN[C@@H](C)[C@H](OC)c2ccccc2F)cc1 809631974 KNCMDJMBJMSJJS-LIRRHRJNSA-N 297.373 3.673 30 20 CHED C=C(Cl)CNC(=O)Nc1c(F)cccc1SCC 810330937 UAOPQONNNXNYHJ-UHFFFAOYSA-N 288.775 3.812 30 20 CHED Cc1cccnc1CC(=NOC/C=C/Cl)C(F)(F)F 811671208 CDIMGQZJGIHLEI-CIXSYLBFSA-N 292.688 3.620 30 20 CHED Cn1cc(/C=C/C(=O)c2cc(F)cc(F)c2)c(C(F)F)n1 812244171 ZUTUDJBYBCHFSX-NSCUHMNNSA-N 298.239 3.532 30 20 CHED C#CCCCCC(=O)Nc1cnc(C(F)(F)F)cc1C 813275880 NROYTGXNAILWIG-UHFFFAOYSA-N 284.281 3.541 30 20 CHED CCCC(=NNc1ncnc2sccc12)c1ccccn1 814767648 OOXDGPIGTFBSLT-UHFFFAOYSA-N 297.387 3.703 30 20 CHED C=C(Cl)CS(=O)(=O)c1ccc(Cl)cc1Cl 814796415 CEOVLTUJTPKBPY-UHFFFAOYSA-N 285.579 3.520 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC[C@@H](c3ccccc3)C2)nc1 814805594 FTIZTGOMGKHAOI-CYBMUJFWSA-N 296.330 3.725 30 20 CHED FC(F)(F)CON=C1CC[C@@H](Cc2ccccc2)C1 814879849 HVSUPQFVGXGAIR-LBPRGKRZSA-N 271.282 3.964 30 20 CHED CC(=NNC1CC1)c1sc(-c2ccccc2)nc1C 814903501 MGHIODAYBRVKIT-UHFFFAOYSA-N 271.389 3.595 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 815411392 OYOCWGUCLGGJFR-NEPJUHHUSA-N 259.340 3.529 30 20 CHED C=CCC[C@@H](NCc1c(F)cc(F)cc1F)C1CC1 815650218 LWKVALDJKUKKFD-OAHLLOKOSA-N 269.310 3.938 30 20 CHED C=C(Br)CNc1nc(C2CCCC2)ns1 817117992 QJOSZZRSFJRBOZ-UHFFFAOYSA-N 288.214 3.516 30 20 CHED Cc1c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1-c1ccccc1 818357182 WEGPRYFHTITWLN-VNQPRFMTSA-N 294.402 3.524 30 20 CHED CC#CCN(C)C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 819249367 KSINOJUMKIIMDL-QXMHVHEDSA-N 295.304 3.590 30 20 CHED C[C@]1(CCOC(=O)c2cccc(F)c2C#N)C[C@@]1(F)Cl 822049522 PUNBSWJIWGKFGW-KBPBESRZSA-N 299.704 3.559 30 20 CHED C=CCCCC[C@H](C)NC[C@@H](O)c1cccc(F)c1 823737018 REJZPTZGACHUDF-XJKSGUPXSA-N 265.372 3.584 30 20 CHED C=CCCCC[C@H](C)NC[C@@](C)(O)c1cccs1 823904300 AEMMSIAJAWKSOZ-DZGCQCFKSA-N 267.438 3.680 30 20 CHED CC(C(=O)N[C@](C)(C#N)CCc1ccccc1)=C1CCC1 825810850 UJCPOOSZYOYVAK-SFHVURJKSA-N 282.387 3.518 30 20 CHED C=CC[C@@H]1CCCN(Cc2c(Cl)nc(Cl)n2C)C1 826946115 DVGLLVXCDSJITJ-SNVBAGLBSA-N 288.222 3.515 30 20 CHED N#CC1CCC(CNC(=O)/C(F)=C\C2CCCCC2)CC1 831223463 XBJGGKLVKARGRA-MHWRWJLKSA-N 292.398 3.866 30 20 CHED C[C@H](N[C@H](C1CCC1)C1CC1)c1ccc(C#N)c(F)c1 834912720 UFNGEFAIHUMDFH-APPDUMDISA-N 272.367 3.927 30 20 CHED CC/C(C)=C\C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 835041728 ZWCWVFAZYHJORU-RBJHHQRMSA-N 294.354 3.724 30 20 CHED C[C@H](C#N)Oc1ccc(CNCCC2CC(F)(F)C2)cc1 835060899 OTJUBSSXRZXZOT-GFCCVEGCSA-N 294.345 3.502 30 20 CHED CC#CCCCC(=O)O[C@@H](C)CCCc1cccnc1 835934601 MSOIZXBERFLIIC-HNNXBMFYSA-N 273.376 3.530 30 20 CHED C#CCCCCC(=O)Nc1cc(OCC)ccc1Cl 836791955 MYQXNNCFNDRPMK-UHFFFAOYSA-N 279.767 3.871 30 20 CHED Cc1ccc(C)c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 839042660 IDOAVESELHLGEL-UONOGXRCSA-N 257.333 3.543 30 20 CHED COc1ccccc1/C(C)=C/C(=O)O[C@@H]1CCC[C@H](C#N)C1 839056223 ZSLFCEOGQHDSIS-XEZFYOOLSA-N 299.370 3.724 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2csc(Cl)c2)C1 839058109 JDERJBAGAQIUJL-SCZZXKLOSA-N 269.753 3.641 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1ccc(OCC)cc1 840749115 JWRVTPFEHPQFIO-UHFFFAOYSA-N 292.448 3.974 30 20 CHED CC(CCCCC#N)=NNc1ccc(C(F)(F)F)cn1 841603605 MMOLIPSNAYQFDX-UHFFFAOYSA-N 284.285 3.972 30 20 CHED CCCCC[C@H](NC(=O)[C@H](C#N)CC)C(C)(C)C 845529042 QVYONJOAZFPKRM-STQMWFEESA-N 252.402 3.647 30 20 CHED C=CC[C@@H](N[C@H](COC)CC(C)(C)C)c1ccncc1 845942802 XEEATAUAANAXOO-JKSUJKDBSA-N 276.424 3.740 30 20 CHED C=C(Cl)CNc1cnn(CC(C)C)c1C1CC1 849317403 WDFHVTPSCMJADO-UHFFFAOYSA-N 253.777 3.581 30 20 CHED C#CCC1(C(=O)OCc2cc(C3CC3)no2)CCCCC1 849761580 QLBYGIWZBZNQPI-UHFFFAOYSA-N 287.359 3.569 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851202337 HYUPOFIUWJHRON-VNQPRFMTSA-N 285.387 3.970 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1nccc2ccccc12 851209927 LFLHDXDSHOAGFS-LBPRGKRZSA-N 282.343 3.720 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCc1cc(F)ccc1F 851210812 VJIGXCRWIWTRTQ-NSHDSACASA-N 295.329 3.769 30 20 CHED N#Cc1ccccc1CSCCC1SCCS1 853761566 PEKBGAWWYGNJDK-UHFFFAOYSA-N 281.471 3.988 30 20 CHED C#C[C@@](C)(CC)NC(=O)CCc1ccc(-c2ccccc2)[nH]1 854700879 HDCOIZJLKOWCSF-IBGZPJMESA-N 294.398 3.532 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccc(OC)cc1 860637893 GTIVLTLITZQLIX-LBPRGKRZSA-N 275.348 3.629 30 20 CHED c1ccc(COCCCNN=C2CCC23CCCC3)cc1 863178017 XSVCOFISRBFMQN-UHFFFAOYSA-N 286.419 3.893 30 20 CHED C#CCCCC(=O)N[C@H](CC)c1cc(C)ccc1C 863272625 HBOAGNUTQLNAFE-MRXNPFEDSA-N 257.377 3.674 30 20 CHED C=CCCCC(=O)Nc1n[nH]c(C)c1-c1ccccc1F 863940670 LMFBWUUGEAWQBA-UHFFFAOYSA-N 287.338 3.819 30 20 CHED C=C1CCC(C(=O)NC2CCC(OC(C)C)CC2)CC1 889674232 CWIUOLLMMBRZSP-UHFFFAOYSA-N 279.424 3.585 30 20 CHED C=C1CCC(C(=O)N(C)c2cccc3ncccc23)CC1 889745940 FGVYYUGNFHKMRG-UHFFFAOYSA-N 280.371 3.944 30 20 CHED N#Cc1cc(N2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])s1 892129465 WUQCCUQJCVWCEN-GFCCVEGCSA-N 299.355 3.522 30 20 CHED Cc1cc(C#N)ccc1N1CCC[C@@H]([C@@H]2CCCCO2)C1 894577875 LZNFOMXRUIFJOT-AEFFLSMTSA-N 284.403 3.652 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)CC1 897361384 GQFGEPHHVLSYFL-IMJJTQAJSA-N 261.409 3.770 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC(c2cccc(Cl)c2)C1 899154681 HGGROVGDASJQQQ-LBPRGKRZSA-N 277.795 3.868 30 20 CHED Cc1ccc(C(=O)/C=C\C(=O)Nc2cc(C)ccc2C)cc1 899903592 PYBSIXLQIPAAOD-KHPPLWFESA-N 293.366 3.989 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1ccc2c(c1)CCCO2 903100816 ZGGMFMOCQXTRJA-HNNXBMFYSA-N 272.392 3.602 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(F)cc(F)cc1F 903648364 CQPPHZXNGNQBDG-MRVPVSSYSA-N 257.255 3.645 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C)c(C)cc1Cl 908548266 PXGTYJZKBLJABJ-WFASDCNBSA-N 293.794 3.877 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(C(=O)O)c(C(C)C)s1 910700780 MFFQIZCYYVVNBB-AWEZNQCLSA-N 296.392 3.506 30 20 CHED CCCCCCCCC(=O)NC[C@H]1Cc2ccccc2O1 914740228 YWJULDXNYNHJRH-MRXNPFEDSA-N 289.419 3.857 30 20 CHED Cc1cccc(C)c1NC(=S)NN=Cc1cccs1 915912828 XZDIEKCOTKUHMB-UHFFFAOYSA-N 289.429 3.685 30 20 CHED C=CCN(C(=O)C(F)(F)c1ccccc1)c1ccccc1 916045834 IDWHZVXZDDHXMO-UHFFFAOYSA-N 287.309 3.998 30 20 CHED C=CCN(C(=O)Nc1ccc(OC)c(Cl)c1)C(C)C 916707092 HNCWRLPQAIMSPD-UHFFFAOYSA-N 282.771 3.777 30 20 CHED C=CCN(Cc1ccc(Br)cc1F)C(C)C 917069875 YWSRWOBMEFTRNY-UHFFFAOYSA-N 286.188 3.985 30 20 CHED C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)Cc2ccccc21 920016358 CLPGBBXTQNXNGG-CQSZACIVSA-N 282.387 3.606 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccccc2F)c1O 920945932 KWONLXAJINCMPI-UHFFFAOYSA-N 294.669 3.844 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1c(C)cc(C)cc1C 921219062 POWHZWNDPVYLHH-HNNXBMFYSA-N 276.376 3.636 30 20 CHED COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)ccc1O 921263309 BFMKUSVKXKKVNP-RIYZIHGNSA-N 280.323 3.532 30 20 CHED CCS[C@@H](C)c1noc(-c2cc(C#N)ccc2C)n1 923952030 GZZCDGWVDXQFGG-JTQLQIEISA-N 273.361 3.731 30 20 CHED CC(C)c1nc(CCN[C@H](C)CC(C)(C)C#N)cs1 924907013 MTQLIRYNNMYLBE-GFCCVEGCSA-N 279.453 3.727 30 20 CHED CC[C@H](CC(=O)N1CCC[C@@H](C#N)C1)c1ccc(C)cc1 928220488 IFMNIGFZRONAHA-JKSUJKDBSA-N 284.403 3.641 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(CN(C)CCCC)CC1 932702940 ZDCPEWHQQAONOX-MRXNPFEDSA-N 294.483 3.559 30 20 CHED C=C[C@H](CC)CC(=O)NCc1nc2ccccc2n1C(C)C 933154966 NSJLHTRVGWYOAT-CQSZACIVSA-N 299.418 3.836 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)cc(F)c1OC 934740496 SSXDVPAIEQQUEA-VIFPVBQESA-N 269.291 3.514 30 20 CHED N#CCc1cccc(N[C@@H]2CCO[C@@H](c3cccs3)C2)n1 1118004235 PJTWXLICWIVORM-ZIAGYGMSSA-N 299.399 3.541 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1 1123529430 PNFNOYBYTVWYND-GFCCVEGCSA-N 291.370 3.516 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1cccc(C#N)n1 1125575303 DDHSPRKUNHIVPB-ZFWWWQNUSA-N 299.418 3.536 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)C[C@H]1C 1125891531 UNTLCZZBWCUKGI-KFWWJZLASA-N 278.440 3.847 30 20 CHED N#Cc1ccc(F)c(C(=O)OCc2sccc2Cl)c1 1128429200 YFTMIQOAFIROKT-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)cc1 1129768492 CXWCIVLIIYXTNH-LSDHHAIUSA-N 270.376 3.503 30 20 CHED Cc1cnccc1SCCc1ccc(C#N)cc1 1166220674 AQNBOJUOEVVLFD-UHFFFAOYSA-N 254.358 3.597 30 20 CHED CC(C)c1cccc2c1CCN(Cc1cccc(C#N)n1)C2 1181410169 IXKJCEFYWSMFFB-UHFFFAOYSA-N 291.398 3.635 30 20 CHED C[C@@H](N=c1cc[nH]cc1C(F)(F)F)c1ccc(C#N)cc1 1185046504 NTMLSZPNKISGHQ-SNVBAGLBSA-N 291.276 3.567 30 20 CHED N#Cc1ccc(OCC(=O)CCc2ccccc2)c(Cl)c1 1188474191 WGXXYZNQANFFLM-UHFFFAOYSA-N 299.757 3.792 30 20 CHED Cc1ccc(N(C)Cc2ccc(C#N)s2)c(F)c1 1195153205 ALHSQMZACPUMFX-UHFFFAOYSA-N 260.337 3.704 30 20 CHED C=C(CC)C(=O)N(CCOCC)[C@H]1CCc2ccccc21 1263868227 ZZCQZEJWESZOSC-KRWDZBQOSA-N 287.403 3.505 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc(Cl)c1O 1269758631 QWABQWHWOBJCLI-UHFFFAOYSA-N 294.782 3.590 30 20 CHED N#Cc1cccc(Br)c1NCCC1CC1 1306980993 ADQSPNRVYTXCQQ-UHFFFAOYSA-N 265.154 3.533 30 20 CHED Nc1ccc(C=NNc2cc(F)c(F)cc2F)cc1Cl 1319587059 AYMSAFYAXBBHFK-UHFFFAOYSA-N 299.683 3.786 30 20 CHED C=CCN(C(=O)c1cc2ccccc2n1CC)C(C)C 1321889253 WCHGWWPFDJACIX-UHFFFAOYSA-N 270.376 3.698 30 20 CHED CSc1ccc(/C=C/c2cc(C#N)ccn2)cc1 1322365603 AJHOCOHQSIVLPP-GORDUTHDSA-N 252.342 3.846 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)c1ccccc1Cl 1322550444 IUJPPHNGHUHYHU-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC[C@H](C)CON=Cc1sc(N2CCCCC2)nc1C 1324103231 SJJUCLKHDBYFAM-LBPRGKRZSA-N 295.452 3.838 30 20 CHED N#CCc1ccc(COc2cnc(F)cc2Cl)cc1 1326045728 GUHOOEOEIRKIKS-UHFFFAOYSA-N 276.698 3.519 30 20 CHED Cc1nc(NCCc2c(F)cccc2Cl)ccc1C#N 1326073911 FCPYZNVRYGECKY-UHFFFAOYSA-N 289.741 3.709 30 20 CHED Cc1ncc(/C=C/c2nnc(-c3ccc(C#N)cc3)o2)s1 1326235569 SHARHYRSTNQNFT-VOTSOKGWSA-N 294.339 3.544 30 20 CHED CC(=NNC(=S)NC(C)C)[C@@H](C)c1ccc(Cl)cc1 1326862961 HKRONFLJPIKUCK-SNVBAGLBSA-N 297.855 3.692 30 20 CHED C[C@H](N[C@@H]1CCC[C@H](F)C1)c1ccc(OCC#N)cc1 1332340908 SJSDOXUULNKNNS-AEGPPILISA-N 276.355 3.520 30 20 CHED C=C1CCC(C(=O)Nc2ncccc2OC(C)C)CC1 1332674361 OHHRJFTYNRTFRK-UHFFFAOYSA-N 274.364 3.554 30 20 CHED C#Cc1ccc(NCc2csc(C(C)C)n2)cc1 1333896577 ZNUASVUPWQSYNX-UHFFFAOYSA-N 256.374 3.860 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCC[C@@H](SCC)C1 1335807773 XYQTYASZXNJEON-QWHCGFSZSA-N 255.427 3.523 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cn(CCCC)nc1C 1337551113 NSFMTVYIHBCBFT-HNNXBMFYSA-N 289.423 3.562 30 20 CHED C=C[C@@H](CC)CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 1346148387 SZHUAKDYGHGBCJ-CMPLNLGQSA-N 296.292 3.879 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)c1csc(C#N)c1 1347825801 NWMMVBZTEIQJDD-CYBMUJFWSA-N 276.405 3.805 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 1353907562 YUZAKAOANRIVMB-ZACQAIPSSA-N 287.378 3.886 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1csc(C#N)c1 1436532663 CJMJHNKCZPEJQI-RYUDHWBXSA-N 276.405 3.566 30 20 CHED Cc1cc(N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)ncc1C#N 1458448982 YZZHDABSUBCGRZ-LSDHHAIUSA-N 271.408 3.913 30 20 CHED Cc1cc(CN(C)[C@H]2CCC(C)(C)C2)ccc1C#N 1462182662 ZCCVGVXILAUZIK-INIZCTEOSA-N 256.393 3.877 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cc(C)cc(C#N)c1 1466839303 FTMVLFKIFKEEDI-AAEUAGOBSA-N 273.380 3.813 30 20 CHED C=C(CNC(=O)NCC1(C)CCCCC1)c1ccccc1 1470385011 QHFGWEGVHDCSCW-UHFFFAOYSA-N 286.419 3.969 30 20 CHED C#CC[C@H](C)OC(=O)c1nc(-c2ccccc2)oc1C1CC1 1516697000 QTDAEPRTHKDYRC-LBPRGKRZSA-N 295.338 3.788 30 20 CHED CSc1ccc(CCC(=O)O[C@H]2CC[C@H](C#N)C2)cc1 1525006739 PNWMTMCGNOVADB-KBPBESRZSA-N 289.400 3.577 30 20 CHED C[C@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1F 1544397389 UZCASMPPGOGICN-JTQLQIEISA-N 286.281 3.579 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2F)ccc1F 1544823479 UFFGBVFDWVXQBH-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N(C[C@H](C)C#N)C1CC1 1546327965 JGZGTXSUVDAXED-WBVHZDCISA-N 298.430 3.714 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1C 1562450362 MJUXKICRVTXDFQ-GJZGRUSLSA-N 285.391 3.815 30 20 CHED C#CCCCCCCN[C@@]1(C(=O)O)CCCC(C)(C)C1 1588442497 SOUCNNKKZRCIOD-KRWDZBQOSA-N 279.424 3.583 30 20 CHED Cc1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1C(=O)O 1600279786 PDSXEZVGBYFFEX-LBPRGKRZSA-N 280.327 3.738 30 20 CHED O=C(O)c1cc(Cl)ccc1C(=O)/C=C\c1cccs1 1602266460 ZKPNKCSNSPMYQJ-XQRVVYSFSA-N 292.743 3.996 30 20 CHED C=C(C)[C@H](NCCC(C)(C)C(=O)O)c1ccc(F)c(F)c1 1602747733 ZUQWYEYFDNETAJ-AWEZNQCLSA-N 297.345 3.673 30 20 CHED Cc1c(Cl)cnc(N2C[C@@H](C)CCC[C@@H]2C)c1C#N 1642281851 GEHWHSYDWXYGIU-QWRGUYRKSA-N 277.799 3.930 30 20 CHED N#Cc1nccc(SCc2cccc3ccccc23)n1 1650685982 UCXGSYKEBWBHJJ-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CCC1(CC)CCCN(c2ccnc(C#N)c2)CC1 1651749541 CBWKTNJVZBOJGI-UHFFFAOYSA-N 257.381 3.750 30 20 CHED N#CC1(CCN[C@@H]2CCc3ccccc3OC2)CCCCC1 1653416198 CQSFOFVWVXPPNJ-QGZVFWFLSA-N 298.430 3.834 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CCc3ccc(C(C)C)cc32)n1 1655399135 QMMBHMMMSBKXSE-KRWDZBQOSA-N 292.386 3.880 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)CCC[C@@H]1C 1657353083 WIEZYTCIVIQWDS-HIFRSBDPSA-N 256.393 3.877 30 20 CHED CC(C)C[C@@H]1CCC1=NNc1ccc(F)c(C(=O)O)c1 1776064911 MBUHUKLGBDERHY-JTQLQIEISA-N 278.327 3.748 30 20 CHED Cc1c(NN=C2CC[C@@H](C)C[C@@H]2C)cccc1C(=O)O 1776087481 FNJCMINSQOMCJK-MNOVXSKESA-N 274.364 3.917 30 20 CHED CN(CCC#N)C(=O)c1ccc(C2CCCCC2)cc1 57814260 SGLAEWUVMOUCKH-UHFFFAOYSA-N 270.376 3.720 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)OCCCC#N 176733337 SWVZBGMXDYUYBF-UHFFFAOYSA-N 281.739 3.589 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@@H](C)C1CCCCC1 101516662 JDEAMTJJDBZZGT-CZUORRHYSA-N 264.413 3.647 30 20 CHED Cc1nc2ccc(NC(=O)c3sccc3C#N)cc2s1 52028186 LSNQPKDMPUAVBM-UHFFFAOYSA-N 299.380 3.790 30 20 CHED C=CCNC(=O)c1ccccc1Nc1ccc(C)cc1 10742184 LIOUZGHRTRNDCS-UHFFFAOYSA-N 266.344 3.654 30 20 CHED Cc1ccccc1CCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 116811242 FFMCGKCHLSAAQK-KDOFPFPSSA-N 284.403 3.516 30 20 CHED N#Cc1cccc(CN[C@@H]2CCOc3c(Cl)cccc32)c1 67248708 CTNPVCNDCNUVPZ-MRXNPFEDSA-N 298.773 3.825 30 20 CHED CC(C)(C)C(=O)CSCc1ccc(C#N)cc1F 175157356 UPLNMOFVTNBYAM-UHFFFAOYSA-N 265.353 3.546 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCc2sccc2C1 118392024 ONGRBTVQPZXHDU-GFCCVEGCSA-N 268.385 3.739 30 20 CHED C=C(C)CN1CCC[C@@H]1c1nc2ccccc2n1CC 177043457 BXYLOWNIXLTSGX-MRXNPFEDSA-N 269.392 3.769 30 20 CHED CCN(CC)/C(N)=N/CC1(c2cccs2)CCCCC1 304753574 LEADBJQDMIZEEA-UHFFFAOYSA-N 293.480 3.607 30 20 CHED CC(C)(C)[C@@H]1CCCN1Cc1cc(F)ccc1C#N 469213527 LMBRQJYLRSNFIE-HNNXBMFYSA-N 260.356 3.708 30 20 CHED N#Cc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1 62160075 IUPMGBIZZVKFGG-QGZVFWFLSA-N 276.339 3.691 30 20 CHED N#CCC1(COC(=O)c2ccc(Cl)c(Cl)c2)CC1 174753239 AEEBOWNEPAPDAV-UHFFFAOYSA-N 284.142 3.844 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc(C#N)cc1 301310354 ZITFXLGJWOANRU-PBHICJAKSA-N 262.356 3.941 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)Cc2ccsc2)n1 177757453 URJJFQDPKGRCIU-LLVKDONJSA-N 290.413 3.747 30 20 CHED CCN(CC)[C@@H](CNc1ccc(C#N)cc1)c1ccco1 301091802 LBZXEDJTRZIXGL-INIZCTEOSA-N 283.375 3.646 30 20 CHED CCCN(CC#N)C(=O)CCc1ccc(C(C)C)cc1 60541775 AXPZICWGYNRFHX-UHFFFAOYSA-N 272.392 3.505 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)c1nc2ccccc2[nH]1 301375834 RHPCZPJRWZDYQD-JTQLQIEISA-N 280.306 3.747 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 24717866 XZDZXFDVLKQYMT-CSKARUKUSA-N 297.310 3.808 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1COc2ccccc21 303657636 YCPAJTDPVBWIQB-KRWDZBQOSA-N 299.414 3.758 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccn1C(C)C 120383168 REOXQBLAQIWLCV-UHFFFAOYSA-N 282.387 3.897 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1Br 306103538 QLGRWTNXXXBPFR-LJWDBELGSA-N 291.192 3.921 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCC2 30611755 FVHHZJPVWJKTNR-UHFFFAOYSA-N 293.366 3.992 30 20 CHED C[C@@H](c1nc2ccccc2o1)N(C)Cc1cccc(C#N)c1 180912083 RVIRHGBAIKCBMJ-ZDUSSCGKSA-N 291.354 3.892 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H](C)[C@H]1C)c1ccccc1 188435618 KKHKCYSMMHLVEU-LZWOXQAQSA-N 257.377 3.603 30 20 CHED N#Cc1cccnc1NCc1ccc2sccc2c1 357606004 ZLGBPNUMSUMVHE-UHFFFAOYSA-N 265.341 3.780 30 20 CHED Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)cc(C)c1F 121624821 LYWWZRROAJUWQN-UHFFFAOYSA-N 290.382 3.845 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C(F)(F)F)ccc1F 181690946 RRHWHFKWDPBEMH-UHFFFAOYSA-N 290.260 3.884 30 20 CHED Cc1cc(CN(C)Cc2cccc(F)c2)ccc1C#N 362963537 NJKQNXGKLFYWLQ-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CCC(=O)Nc1sc(-c2ccccc2)cc1C#N 77687439 NZXZEUBPOUEBJJ-UHFFFAOYSA-N 256.330 3.635 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccc(C#N)s1 184769789 VOQCMLBEPXNKFV-SNAWJCMRSA-N 275.354 3.586 30 20 CHED CC(C)(C)C1CC(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 411024360 AQKIYBGRNXRXAG-UHFFFAOYSA-N 291.782 3.617 30 20 CHED COc1ccc(OCCSc2ccc(C#N)cc2)cc1 509667187 ZASBLFGYUBQLEE-UHFFFAOYSA-N 285.368 3.738 30 20 CHED Cc1cccc(N2CCN(CCCCC(C)(C)C#N)CC2)c1 318381477 GMIAMXORMBMSIJ-UHFFFAOYSA-N 299.462 3.837 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1cccc(C)c1C 125646229 HXRLIVSTOVCUDL-INIZCTEOSA-N 257.377 3.933 30 20 CHED Cc1cccc(N(C)C(=O)Cc2c(F)cccc2C#N)c1C 507730100 CSHJMQSUILYXIR-UHFFFAOYSA-N 296.345 3.520 30 20 CHED CC#CCCCC(=O)N1CCCc2ccc(C)c(F)c21 411093369 DMEDNURQPPJWGC-UHFFFAOYSA-N 273.351 3.607 30 20 CHED COc1cccc(/C=C/C(=O)c2ccccc2F)c1 78281347 LMXNFNPNOYDIKX-MDZDMXLPSA-N 256.276 3.730 30 20 CHED C=CCC[C@@H](N[C@@H](C)c1nccn1C)c1ccccc1 183362996 MYIUVLZWUPYLRN-GOEBONIOSA-N 269.392 3.778 30 20 CHED C=CCOCCS[C@@H](C)c1ccc(F)cc1F 419391046 HDCXWCVOFZNPLK-JTQLQIEISA-N 258.333 3.962 30 20 CHED C=CCn1c(N2CCC(CC)(CC)C2)nnc1C(C)(C)C 508841998 VMCMHALKBCEJHB-UHFFFAOYSA-N 290.455 3.778 30 20 CHED C=C(C)CSCc1nc(Cc2ccccc2C)no1 79920026 QIAWUKYGWMJXOR-UHFFFAOYSA-N 274.389 3.778 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2N(C)CCCC#N)cc1 75886317 WZHONQLSTGTJEM-SJORKVTESA-N 256.393 3.867 30 20 CHED Cc1sccc1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416092881 CJXBQAGEQAMFMY-INIZCTEOSA-N 296.395 3.736 30 20 CHED CC(C)(C)CN(CCC#N)CCCCC(C)(C)C#N 336806194 KRFSSBMOKUNSHY-UHFFFAOYSA-N 263.429 3.968 30 20 CHED CN(C(=O)c1cc(C#N)cs1)[C@@H]1CCC[C@H]1C(C)(C)C 416297415 XHOVCUJYIDHNEX-CHWSQXEVSA-N 290.432 3.907 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)Cc1cc(C#N)n(C)c1 191210693 GKZXBISGIBMUKL-ZDUSSCGKSA-N 293.370 3.836 30 20 CHED C=CCOc1ccccc1C(=O)N1CC(C)(C)[C@@H]1C1CC1 427270666 WTWDSYJBLQBWGI-INIZCTEOSA-N 285.387 3.512 30 20 CHED N#Cc1cccc(CNCc2cnc(C3CCCC3)s2)c1 135866827 XBQYPINRAYQGRA-UHFFFAOYSA-N 297.427 3.962 30 20 CHED C[C@H]1CCCC[C@@H]1NC1CCN(c2ccc(C#N)cc2)CC1 514098448 GWRKBNKGPFVKHS-KXBFYZLASA-N 297.446 3.695 30 20 CHED Cn1cc(CN2CCC[C@H]2c2cccc(Cl)c2)cc1C#N 191230201 DPNODVDQHKLAHS-KRWDZBQOSA-N 299.805 3.887 30 20 CHED CC1(C)C(C/N=C(/O)c2ncoc2C2CC2)C1(C)C 329048959 GPDXTDNCTYVERU-UHFFFAOYSA-N 262.353 3.539 30 20 CHED Cc1cc(C)cc([C@H]2CCN(Cc3cc(C#N)n(C)c3)C2)c1 191475768 SGXWVSILZGZDGP-KRWDZBQOSA-N 293.414 3.503 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(F)c(Cl)c1 130813432 UDEQIVZLBKCBEJ-NSHDSACASA-N 253.748 3.933 30 20 CHED N#Cc1csc(C(=O)Nc2cccc(-c3cnco3)c2)c1 84084737 FYSZEXPJKJTTQE-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC(C)c1nccc(N(C)[C@@H](C)c2cccc(C#N)c2)n1 425283749 POEMHTCGSNWGGL-ZDUSSCGKSA-N 280.375 3.669 30 20 CHED CCCCN(C(=O)c1ccccc1OCC#N)[C@H](C)CC 194188030 MQVAYPBGBMBBLW-CQSZACIVSA-N 288.391 3.630 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(c2ccnc(C#N)c2)C2CC2)o1 339975082 YLTOJBYOEWLNMI-PXAZEXFGSA-N 293.370 3.839 30 20 CHED CC[C@H](C)CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 420880558 QBIBTSHVDWXNNS-BHYGNILZSA-N 299.418 3.514 30 20 CHED CC(C)c1nc(CN[C@H]2CC[C@@H](CC#N)C2)c2ccccn12 515854467 WQOYVVDISHHGEY-GJZGRUSLSA-N 296.418 3.630 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2[nH]ccc2c1 336093015 RTBCYNYAOVGYNP-AWEZNQCLSA-N 269.348 3.740 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@](C)(CC)C1 338861638 RQBBVTHOTNAIQU-KRWDZBQOSA-N 288.439 3.748 30 20 CHED C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)cc1F 337551498 OTTUECPAUPVANX-CUOATXAZSA-N 298.308 3.508 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCOCC2)[C@@H]1C 334582003 LTOUGGFBXIUWJM-GJZGRUSLSA-N 284.403 3.510 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1cccc(O)c1 146998530 GANJBQIGDAVTDE-PLNGDYQASA-N 260.239 3.567 30 20 CHED CCC1CCC(N(C)C(=O)NCC(C)(C)CCC#N)CC1 513113771 RUCBTLGCEORCSV-UHFFFAOYSA-N 293.455 3.927 30 20 CHED CC1=C(C)C[C@H](C(=O)N(CCC#N)Cc2ccco2)CC1 516971891 NQVGMIQMJAFODU-OAHLLOKOSA-N 286.375 3.658 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2cccc(CC#N)c2)CC1(C)C 334995192 RLFJHUKKICMUAF-OAHLLOKOSA-N 285.391 3.651 30 20 CHED COc1cc(CN[C@H](C)c2ccc(F)cc2)ccc1C#N 234950091 RHSHSYHFMOAPPF-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CCO[C@H](c1ccccc1)c1noc(C(C#N)(CC)CC)n1 528184463 YZURATKZJCLRIR-CQSZACIVSA-N 299.374 3.777 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ncccc1Cl 528513653 CCMQOFASMDJYMB-UHFFFAOYSA-N 283.762 3.559 30 20 CHED CC(C)N(CCC#N)C(=O)c1[nH]c2ccccc2c1Cl 522237318 HLVJNUHLPBIBIG-UHFFFAOYSA-N 289.766 3.586 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(COCC)cc1 432991863 LTYKWXXQMSUGOF-UHFFFAOYSA-N 290.407 3.947 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2cc(C#N)c[nH]2)n1 341182259 IMAVQMRNDOKYSM-NEPJUHHUSA-N 270.336 3.620 30 20 CHED C=CCOc1ccccc1CNC(=O)C(C)(C)CC(C)C 439745302 MSVFTQSFCGNMJL-UHFFFAOYSA-N 289.419 3.940 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)[C@H](c1ccccc1)N(C)C 439126444 ATHVFMFRYNGISV-FZKQIMNGSA-N 297.377 3.801 30 20 CHED C=CCCCCNC(=O)c1ncsc1-c1ccccc1 438459099 LRLWMDHLJPZJCD-UHFFFAOYSA-N 286.400 3.896 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 342002399 JYEJAIBJVISNHY-RFQIPJPRSA-N 273.376 3.541 30 20 CHED CC(C)(C)CCCCC(=O)N(CCC#N)CC(F)(F)F 342094418 YGWQBHNIPNXTKJ-UHFFFAOYSA-N 292.345 3.897 30 20 CHED N#Cc1nn(Cc2ccc(C(F)F)cc2)c2ccccc12 432477859 QSVFDVVLYUULLF-UHFFFAOYSA-N 283.281 3.894 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@@H](OCC)C1=CCCC1 343263948 ZAEGYIOKJXSGKR-GDBMZVCRSA-N 279.424 3.753 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1C[C@H](C)CCC#N 602597925 UJQVCDMUPAXIGG-WOPDTQHZSA-N 262.319 3.589 30 20 CHED Cc1nc2ccc(C(=O)Nc3sccc3C#N)cc2s1 432713010 CVWONJQDIXDGDN-UHFFFAOYSA-N 299.380 3.790 30 20 CHED CC(C)(C)C(=O)CSCc1ccc(CC#N)cc1 342548911 RQUNFMIOSQVVTK-UHFFFAOYSA-N 261.390 3.601 30 20 CHED COc1ccccc1[C@@H](CC(C)C)NCC1(C#N)CC1 343606082 MKCRGCDQMOSQCG-OAHLLOKOSA-N 272.392 3.676 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1sc(CC)nc1C 341637498 FJEHPALSOVUBQQ-CYBMUJFWSA-N 252.383 3.555 30 20 CHED N#Cc1cccc(C2(NCc3cccc4cc[nH]c34)CC2)c1 341238716 PMHDUYPSEORHIG-UHFFFAOYSA-N 287.366 3.818 30 20 CHED COc1ccc(-c2nnc(S[C@@H](C)CCC#N)o2)cc1 340572402 XCJNGBZJNDRGOK-JTQLQIEISA-N 289.360 3.530 30 20 CHED CCc1ccc(C(C)=NNc2ccccc2C(=O)O)cc1 254405839 XVUJOZJSUZSDMH-UHFFFAOYSA-N 282.343 3.783 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccccc2C#N)cc1[N+](=O)[O-] 255125936 IUWZUOGPLXLYNT-HJWRWDBZSA-N 292.294 3.671 30 20 CHED Cc1cc(SCc2noc(C3CCC3)n2)ccc1C#N 600554770 HBGGXFZGMFJGSD-UHFFFAOYSA-N 285.372 3.810 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)CC1 343347637 WUXVGZOPDCCTQU-IAGOWNOFSA-N 299.414 3.627 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@H]1CCCS1 255900708 NYWKRDWQSFNWJI-GPLLRDDGSA-N 271.385 3.860 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C\c1ccccc1C#N 254944664 GVHCWQKSNZKQKL-YFHOEESVSA-N 294.329 3.659 30 20 CHED CC(=NOCc1cccc2ccccc12)c1cnn(C)c1 255312784 AICYQPZDZBKXTA-UHFFFAOYSA-N 279.343 3.514 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C#N)Cc1ccccc1 604435767 ZBTOSERHKGBYBH-MRXNPFEDSA-N 291.354 3.504 30 20 CHED CCC(C#N)(CC)c1nc(Cc2ccc3c(c2)CCC3)no1 528159984 YGJPIEKQTAJSMZ-UHFFFAOYSA-N 295.386 3.730 30 20 CHED CCc1nnc(S[C@@H](C#N)CCc2ccccc2)s1 601087863 JROKTZFUVKUPBI-GFCCVEGCSA-N 289.429 3.718 30 20 CHED Cc1ccc(-c2n[nH]cc2C=NOCc2ccccc2)o1 252474506 GSIMHWHYPXAMOU-UHFFFAOYSA-N 281.315 3.529 30 20 CHED N#Cc1cccnc1/C=C/c1cc(F)c(F)cc1F 352009346 WDLQGFXSPYEYGL-ONEGZZNKSA-N 260.218 3.541 30 20 CHED C=CCSCCNC(=O)Nc1cc2[nH]ccc2cc1C 444962109 ACKZFLWMHZPFEW-UHFFFAOYSA-N 289.404 3.517 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N(CC#N)c1ccccc1 609566505 RSIWZDVJTXUOSZ-QGZVFWFLSA-N 292.382 3.812 30 20 CHED Cc1ccccc1[C@@H](CC(F)(F)F)NCCCC#N 444774868 KXKVJHRQAKJNLX-CYBMUJFWSA-N 270.298 3.882 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(C)ccc2O)CCCC1(C)C 443861607 RUCDWDBHVZGRTJ-MRXNPFEDSA-N 287.403 3.908 30 20 CHED C[C@@H](CNC[C@H](C)CCC#N)Oc1ccccc1Cl 602557015 ISHSFHDPTJDFIC-OLZOCXBDSA-N 280.799 3.637 30 20 CHED Cc1ccc2cc(CN(C)CC(C)(C)C#N)ccc2n1 354017538 KSDPVCOLSCMBGJ-UHFFFAOYSA-N 267.376 3.525 30 20 CHED CCn1c(-c2ccc(C#N)c(OC)c2)nc2ccc(F)cc21 443032010 ZYCDYFIGTKRWCP-UHFFFAOYSA-N 295.317 3.743 30 20 CHED CC[C@@H](CC(=O)N(C)c1ccc(C#N)cc1)C(C)C 269627992 FCVGBSHTEFKYRP-AWEZNQCLSA-N 258.365 3.593 30 20 CHED CC1(C#N)CCC(NCC2(c3cccc(F)c3)CC2)CC1 449158269 SQRUOWXUWHFPMC-UHFFFAOYSA-N 286.394 3.919 30 20 CHED C[C@H]1CCCN1C(=O)c1cn(CCCC#N)c2ccccc12 444240276 CVOKYMBRDZZIOZ-AWEZNQCLSA-N 295.386 3.570 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1nc(C2CCC2)cs1 442067719 ANSJCVPJYBZEIZ-LBPRGKRZSA-N 291.420 3.983 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(F)cc(Cl)c2)C1 536073719 XGSLVZHBTNTSPS-ZUZCIYMTSA-N 294.757 3.681 30 20 CHED C=CCCNC(=O)c1cnc(-c2ccc(C)cc2C)s1 617615329 HSSQORUJVVSYGK-UHFFFAOYSA-N 286.400 3.733 30 20 CHED COc1cc(C#N)ccc1CN1CCCc2sccc2C1 611235695 UBYGPEDEPMBMFI-UHFFFAOYSA-N 298.411 3.577 30 20 CHED Cc1ccccc1C(C)(C)CN[C@H]1CC[C@H](C#N)C1 442780740 LGYHXUFIBYUQKX-GJZGRUSLSA-N 256.393 3.555 30 20 CHED Cn1c(C(C)(C)C)nc2cc(N[C@H]3CC[C@H](C#N)C3)ccc21 442845628 NHYCHEOJQXVCHC-STQMWFEESA-N 296.418 3.975 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](CC)CC(F)(F)F 452142498 XRPNQUUEENPGKI-JTQLQIEISA-N 265.319 3.684 30 20 CHED C=CCN(Cc1ccc(C)cc1)c1ccc2nc(O)[nH]c2c1 440732069 PXMLSCJWVFEXJY-UHFFFAOYSA-N 293.370 3.770 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 355217477 WNGQOKMKJXAXAE-YESZJQIVSA-N 290.451 3.991 30 20 CHED COc1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1 353308663 UWOZEBXDVBJAPC-OAHLLOKOSA-N 294.354 3.721 30 20 CHED CCc1noc(CC)c1CNc1ccc(C#N)c(Cl)c1 268039805 NPXNSBXMQKHPPC-UHFFFAOYSA-N 289.766 3.937 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(C[C@@H](C#N)CCC#N)C1 267568215 COKDMZPJSRINJF-RTBURBONSA-N 295.430 3.775 30 20 CHED CN(CC(C)(C)C#N)C(=O)N[C@H]1CCCCC12CCCC2 458820464 UVQKNXOZQYQSTD-AWEZNQCLSA-N 291.439 3.681 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC2(CCCC2)[C@@H]1C(C)C 457134888 FSSXEEXQGBOUGE-KRWDZBQOSA-N 296.414 3.908 30 20 CHED Fc1ccc(C#CCN[C@H](c2ccccc2)C2CC2)cc1 538392252 PWAUIBVJEPVQLK-LJQANCHMSA-N 279.358 3.918 30 20 CHED C=C(CNC(=O)[C@]1(C)CCC[C@H]1C)c1ccccc1 452001612 GFXLLFTYNBMNCI-RHSMWYFYSA-N 257.377 3.642 30 20 CHED C=CC(C)(C)CNC(=O)c1cc2cccc(C)c2o1 452775799 JCCMLBHZVWNORZ-UHFFFAOYSA-N 257.333 3.683 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(SC)ccc2O)C1 617779095 VKZDERUTGKOMSD-GFCCVEGCSA-N 291.416 3.542 30 20 CHED CC(C)[C@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@H]1C(C)C 458761773 INVKGYKKZOBSJI-CABCVRRESA-N 293.455 3.638 30 20 CHED C=CCC[C@@H](C)NCCc1nc2c(C)cccc2o1 273387655 IVUMQAOXBSMTRF-CYBMUJFWSA-N 258.365 3.623 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H]1CCSc2ccc(Cl)cc21 362368427 AZFIDWAFYPIEFX-SKDRFNHKSA-N 296.823 3.751 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 617789656 PNFJZBKWWAHYBR-LBPRGKRZSA-N 286.400 3.725 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)N(C2CC2)C2(C#N)CCC2)C1(C)C 616175439 VOEPUQOZSCRWMH-LSDHHAIUSA-N 286.419 3.662 30 20 CHED C=C(CC)CNC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 456813249 PUCKHGYDVXYATC-UHFFFAOYSA-N 299.370 3.569 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)c1ccccc1 543630326 NIGWAKQKWRFASA-CYBMUJFWSA-N 293.370 3.792 30 20 CHED C=C[C@](C)(CCOC)C(=O)N(C)c1ccc(SC)cc1 275543731 ZZEKLLSZWSXLPA-MRXNPFEDSA-N 293.432 3.600 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](CC)c1ccc(OC)cc1 452771992 CIFDILYCVHGCLZ-OAHLLOKOSA-N 275.392 3.517 30 20 CHED C=CCCC(=O)NCc1cc(F)c(C(F)(F)F)cc1F 360359175 IAROIQFHSZIJSX-UHFFFAOYSA-N 293.235 3.566 30 20 CHED CCC1(NC(=O)Nc2ccc(CC#N)cc2)CCCCC1 454342018 JMEFSUCLJNOENR-UHFFFAOYSA-N 285.391 3.987 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cccnc1C 362827506 RFLQDTKVBGDWLK-UHFFFAOYSA-N 284.384 3.920 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1cccc(C#N)c1[N+](=O)[O-] 450442448 XGWSZSCVYJAOPO-VIFPVBQESA-N 287.241 3.609 30 20 CHED C[C@@H](NCCCC#N)c1ccc(SCC(F)F)cc1 273167473 BARBZPWENBFOHE-LLVKDONJSA-N 284.375 3.998 30 20 CHED C=CCC1(C(=O)Nc2cc(C)cc(C#N)c2)CCC1 456955452 BYBSQQJYWFVBJM-UHFFFAOYSA-N 254.333 3.552 30 20 CHED CC(C)(CC#N)CNCc1cc2ccccc2s1 459733454 PZACSBBWVWLWAP-UHFFFAOYSA-N 258.390 3.931 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 278782154 PSZFGBFOCXUOIO-SJLPKXTDSA-N 283.415 3.893 30 20 CHED C=CCC1(C(=O)NCc2c(CC)noc2CC)CCCC1 450081677 NUPBJYUVANXMOB-UHFFFAOYSA-N 290.407 3.552 30 20 CHED C=CCN(C(=O)Cc1cc2ccccc2o1)C(C)(C)C 622943426 ASJGXCYDQCDBLZ-UHFFFAOYSA-N 271.360 3.788 30 20 CHED CCCN(CC(C)C)C(=O)c1ccc(Cl)c(C#N)c1 542530831 DWDNWCKXDYSWGO-UHFFFAOYSA-N 278.783 3.720 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)CCSCC 540567355 GPMMVGPIEACJEK-UONOGXRCSA-N 286.485 3.904 30 20 CHED N#Cc1cccc(CN[C@H]2CCC[C@@H](c3cccnc3)C2)c1 374294510 KNNLODBZHLWGHU-MJGOQNOKSA-N 291.398 3.769 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Cl)cc1-n1cccc1 465250838 HXTOPURBLSKKFD-LLVKDONJSA-N 289.766 3.827 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccncc2F)CCCC1(C)C 278123990 LWOIYIWMGVFGFQ-CQSZACIVSA-N 291.370 3.819 30 20 CHED Cc1cscc1C(=O)Nc1cc(C#N)ccc1NC1CC1 281128741 IXPUIMWSSPULKI-UHFFFAOYSA-N 297.383 3.755 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)C[C@H](C)CC 463894741 IKIWYESXUBMZBS-KGLIPLIRSA-N 275.392 3.806 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(-c2cc[nH]n2)s1 620857359 YNODFPGBHRNSBD-UHFFFAOYSA-N 289.404 3.613 30 20 CHED CC(C)(C(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(Cl)cc1 464716238 ZRGAAVGLCLPMIP-ZDUSSCGKSA-N 292.810 3.672 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1ccc(OCC)cc1 467744802 BWIWJVUUWYBEJI-UHFFFAOYSA-N 287.403 3.812 30 20 CHED CN(c1cccc(C#N)n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 289135442 RUYKNMPMKQYTDV-KLPPZKSPSA-N 283.297 3.511 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc2c(cn1)CCCC2 462971782 HTXOGSBIVXFKAH-INIZCTEOSA-N 258.365 3.501 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cc(C(=O)OC)cs1 556887029 ORIGKCRUKKTSPH-NWDGAFQWSA-N 281.421 3.930 30 20 CHED C=C[C@H](CC(=O)Nc1ccn(C(C)C)n1)c1ccccc1 280490365 OUWBNSTYXYNGCO-CQSZACIVSA-N 283.375 3.762 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)c1cccc(Br)c1 462592573 KESKTYZKQIGDGZ-LLVKDONJSA-N 296.208 3.587 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cccc2c1ccn2CC(C)C 557599315 JRXDZONOGMGRBF-GOSISDBHSA-N 297.402 3.719 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@@H]1CCC(C)C 558448266 UDYCJXHBBXWVBY-OAHLLOKOSA-N 290.455 3.993 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 552154818 ZFILWWSYPCAUCK-HOCLYGCPSA-N 276.424 3.745 30 20 CHED C[C@@H]1CN(CCOc2ccccc2C#N)[C@@H]1c1ccccc1 471022598 ODUZWJOTYQPWKK-BEFAXECRSA-N 292.382 3.630 30 20 CHED C=CCOCCCN1C[C@@H](c2ccccc2C)C[C@H]1C 470771786 HFUMFVDZGLRHAL-SJORKVTESA-N 273.420 3.766 30 20 CHED C=C(CNC(=O)c1ccc(CC)s1)c1ccccc1 807798314 SUILIXXNQOEADB-UHFFFAOYSA-N 271.385 3.754 30 20 CHED Cc1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1F 298009453 SJTXTZRWQLIMCF-MRXNPFEDSA-N 272.323 3.547 30 20 CHED CC1(C#N)CCN(C(=O)Nc2ccc3c(c2)CCCC3)CC1 297296367 GKFHHTMRPOSZGM-UHFFFAOYSA-N 297.402 3.723 30 20 CHED Cc1cc(F)ccc1NN=Cc1c[nH]c(C(F)(F)F)c1 807978785 COXCGHOEGJYVRX-UHFFFAOYSA-N 285.244 3.927 30 20 CHED COc1ccc([C@H](Cc2ccc(F)cc2)NCCC#N)cc1 299711817 QNFQJOQMHDMRAM-SFHVURJKSA-N 298.361 3.621 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)[C@H]1CC2CCC1CC2 381663901 KDONNLFGTLZCOZ-MRWWZRLISA-N 298.430 3.893 30 20 CHED C=C(C)COC(=O)c1ccc(Cl)c2ncccc12 801441781 BUKILYBPZZIKLW-UHFFFAOYSA-N 261.708 3.621 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@@H](CC)c1ccccc1OC 809281260 URDSKGHANYPGFO-HNNXBMFYSA-N 287.403 3.654 30 20 CHED CN(Cc1csc2ccccc12)C(=O)CCCC#N 292612261 MYTZNHZAPBGQGO-UHFFFAOYSA-N 272.373 3.554 30 20 CHED C=CCOCCCSCc1cc(F)ccc1F 479580912 HNPJFUSNRGSITH-UHFFFAOYSA-N 258.333 3.791 30 20 CHED CCc1cc(C#N)c(NC(=O)c2c(C)nsc2C)s1 298608597 RCYCNTMCSOTPQL-UHFFFAOYSA-N 291.401 3.508 30 20 CHED C[C@H](NC(=O)[C@H]1CC12CCCCC2)c1ccc(C#N)cc1 477333299 SGSXUYDULPVRRR-XJKSGUPXSA-N 282.387 3.706 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H]2CC[C@@H](C)C2)o1 800811415 UJVYUNOBZABTTL-GHMZBOCLSA-N 260.341 3.504 30 20 CHED C=C(CNC(=O)C1(C(F)(F)F)CCC1)c1ccccc1 295277561 FMWFTNITQMYCLS-UHFFFAOYSA-N 283.293 3.549 30 20 CHED C=CCOCCCN[C@@H](c1ccccc1C)C(C)C 470762495 UGPBMQACWKYPFW-QGZVFWFLSA-N 261.409 3.874 30 20 CHED CC#CC(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC 801158794 NWXPXVINYWEAHN-CQSZACIVSA-N 293.794 3.575 30 20 CHED C=CCCC1(C(=O)NCC(C)(C)c2cccc(F)c2)CC1 476078565 ZOHKSICISAKTOM-UHFFFAOYSA-N 289.394 3.966 30 20 CHED CCCCCCCC(=O)N1C[C@H]2CCC[C@@H](C2)C1 804343635 YXELFRCGDKISJI-GJZGRUSLSA-N 251.414 3.996 30 20 CHED CCC(CC)n1ccc(CSc2cccnc2C#N)n1 566472415 JLKYFQHFHBTGCL-UHFFFAOYSA-N 286.404 3.803 30 20 CHED CC(C)c1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1 561018018 QGTCDRPLHXKEHJ-WBVHZDCISA-N 256.393 3.934 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)OCC2(C#N)CC2)c1 802993155 ZLYZPRVVUNUQBI-CQSZACIVSA-N 285.387 3.836 30 20 CHED FCC[C@H]1CCCC1=NNc1nccnc1C1CCC1 807993626 BNVYOYPMOMHFKI-LLVKDONJSA-N 276.359 3.672 30 20 CHED C=CCN(CCc1cccc(C)n1)Cc1ccccc1F 566167782 WIOXBAIMWNSPHE-UHFFFAOYSA-N 284.378 3.760 30 20 CHED Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)c2ccccc2c1 297504118 UXZADBZLMDJNOJ-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C=CCC[C@@H](C(=O)Nc1nc(C)cc(C)n1)c1ccccc1 291062642 DEUYGHQOMURDNW-MRXNPFEDSA-N 295.386 3.782 30 20 CHED CSCc1cnc(CNc2ccc(CC#N)cc2)s1 293658304 SYNSBQWYAILFLS-UHFFFAOYSA-N 289.429 3.684 30 20 CHED C[C@H]1/C(=C/c2cccc(O)c2)C(=O)c2ccccc21 809155790 FXMXDNFHXRSGOH-FFCYNSPCSA-N 250.297 3.776 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1cc(C)ccc1O 807992761 PLLVWXILOKTFBZ-UHFFFAOYSA-N 296.374 3.594 30 20 CHED C=CCCCCCCNC(=O)C[C@@H](C)n1nc(C)cc1C 805220016 DCVOSXHWEHROSR-MRXNPFEDSA-N 291.439 3.704 30 20 CHED C=CCCCCNC(=O)CCOc1ccc(Cl)cc1 471674242 QDILKXPYNOBXRL-UHFFFAOYSA-N 281.783 3.581 30 20 CHED C[C@H](CN1CCCc2cc(C#N)ccc21)C(F)(F)F 565175498 VQWVPKYZIJQAKX-SNVBAGLBSA-N 268.282 3.509 30 20 CHED C[C@@H](CN(C)C(=O)c1ccc(C#N)cc1F)c1ccccc1 1435028392 YCVRKOKDTKWBOD-ZDUSSCGKSA-N 296.345 3.573 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccncc3)C2)c(Cl)c1 565172480 OJZJKCPIZDILDA-HNNXBMFYSA-N 297.789 3.596 30 20 CHED C#C[C@@H](NCc1ccc(OC(F)F)c(Cl)c1)C(C)C 809685160 CDFZROLWXWXSCX-GFCCVEGCSA-N 287.737 3.689 30 20 CHED C=CCCCCn1cc(-c2ccccc2C(C)=O)nn1 640939252 NANHMDNSRSUBPU-UHFFFAOYSA-N 269.348 3.504 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN1CCC(CCC#N)CC1 563069161 UMGSQZKYBLOODS-WBVHZDCISA-N 278.440 3.597 30 20 CHED C[C@H](NN=Cc1ccc2[nH]ccc2c1)c1ccccc1 811639504 BOIDNIOOKFNXAD-ZDUSSCGKSA-N 263.344 3.853 30 20 CHED C=C(C)C[C@@H](C)c1nc(C2CCSCC2)no1 561919946 SOXUHIIKYUBNOS-SNVBAGLBSA-N 252.383 3.750 30 20 CHED CCSc1cccc(CNc2nnc(C)c(C)c2C#N)c1 488678613 VUAYIMUKXYNQCY-UHFFFAOYSA-N 298.415 3.689 30 20 CHED CC(CCCc1cccnc1)=NN[C@H](C)c1ccncc1 819818433 MHQHHJLAMYNQHN-OAHLLOKOSA-N 282.391 3.526 30 20 CHED C=CCCO[C@H](C)C(=O)N1c2ccccc2CC[C@H]1CC 482827489 NFAJKGITLHXOIA-GDBMZVCRSA-N 287.403 3.726 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(C#N)s2)c1 487240891 UNWAQGAIGLJXMS-GFCCVEGCSA-N 284.384 3.728 30 20 CHED Cc1sccc1C=NNc1c(F)cccc1F 814852699 LCHQJWKUMRHMRK-UHFFFAOYSA-N 252.289 3.781 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OCC)cc1C 488327142 DQYYVUVYDAUGLU-AWEZNQCLSA-N 288.391 3.966 30 20 CHED O=C(/C=C/c1cnn2ccccc12)c1nccc2ccccc12 811697315 CCVIGBXWSVANPG-CMDGGOBGSA-N 299.333 3.779 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccccc1 812239828 FYGWJPMJZDOGMO-CLFYSBASSA-N 256.276 3.730 30 20 CHED Cc1sc(NC(=O)[C@H](C)c2ccccc2)c(C#N)c1C 483919644 XZWDDTJRTISOCB-LLVKDONJSA-N 284.384 3.979 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc2n(n1)CCC2 570662550 MKAHLEICJRUSHV-PBHICJAKSA-N 294.402 3.525 30 20 CHED C=C(CC)CN[C@H](COC)c1ccc(Cl)cc1 488801004 UGIMNHYJYXSCAA-CQSZACIVSA-N 253.773 3.583 30 20 CHED c1ccc(C2CC(=NOCc3cccnc3)C2)cc1 814883793 AQVDKHUQKVKMGD-UHFFFAOYSA-N 252.317 3.532 30 20 CHED Cc1cc(C#N)cnc1C(=O)Oc1ccc(C(C)C)cc1 815903569 WDVVFORFIXTQNN-UHFFFAOYSA-N 280.327 3.604 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(Cl)nc(NC)c2)n1 815706748 WLXFOIOPRQTYRQ-UHFFFAOYSA-N 292.770 3.680 30 20 CHED COCC(Cc1ccccc1)=NNc1cccc(C)c1 814687853 WGHSRJOWKUIQDH-UHFFFAOYSA-N 268.360 3.652 30 20 CHED C=CCn1c(C(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 574745449 FHWFEYJETHZIQV-ZNMIVQPWSA-N 288.439 3.602 30 20 CHED C=CCCCC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 480011460 HBIXZKHJWZUATO-WBVHZDCISA-N 271.404 3.822 30 20 CHED C[C@@H]1C[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)C[C@@H](c2ccccc2)C1 576840959 MUDKYIIVCYMQOQ-CMASPNFDSA-N 296.414 3.625 30 20 CHED C=CCC[C@@H](NC[C@H](C#N)CCC#N)c1ccccc1 570710959 PAQJGHHQYXSWNH-DOTOQJQBSA-N 267.376 3.727 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 812639681 KXPUUMFTBYGUMC-NILFDRSVSA-N 257.333 3.599 30 20 CHED C#CCOCSc1nccn1-c1ccccc1C(C)C 814731879 NAMSBGCTHGMZHW-UHFFFAOYSA-N 286.400 3.695 30 20 CHED Cc1cc(O)c(CN(CCC#N)CC(C)C)cc1Cl 824502618 JSWDNWKAMKPFJE-UHFFFAOYSA-N 280.799 3.726 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)Cc1ccc(C)s1 495244131 QISDRFVXEUVFSD-GXTWGEPZSA-N 292.448 3.738 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)/C=C(\C)CC)cc1 823080529 JCQQDQGLUBDPQU-BUHFOSPRSA-N 286.375 3.688 30 20 CHED C=CCCOC(=O)c1ccc(OCCCC)c(OC)c1 729073834 XHHOLSJJAFBCTE-UHFFFAOYSA-N 278.348 3.607 30 20 CHED CCN(Cc1ccc(O[C@@H](C)C#N)cc1)c1cccc(O)c1 827907551 BJYKZMBEQOMFAX-AWEZNQCLSA-N 296.370 3.710 30 20 CHED CC(C)(C#N)c1ccccc1CN[C@@H]1CCC1(C)C 580446345 IQGFGEZOLCBMHX-OAHLLOKOSA-N 256.393 3.766 30 20 CHED C[C@H](C#N)Oc1ccc(CNCC(C)(C)C2CCC2)cc1 824789752 GHLUPHDWIGSAGZ-CQSZACIVSA-N 286.419 3.893 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2F)CC1 827838215 IZPVPBVGPCDMIH-CQSZACIVSA-N 288.366 3.596 30 20 CHED COCOc1ccc(C#N)cc1-c1ncc(C(C)C)s1 904886180 ZPDWTKYMTCEUBX-UHFFFAOYSA-N 288.372 3.788 30 20 CHED C=CCC1(C(=O)NCC(=C)Br)CCCCC1 822804540 BUDSSEGZOROQEI-UHFFFAOYSA-N 286.213 3.538 30 20 CHED COCc1ccc(Sc2snc(C)c2C#N)cc1 588821100 UOIBYEUCGVPYOQ-UHFFFAOYSA-N 276.386 3.621 30 20 CHED C[C@@H]1C[C@H](NCCc2cccc(C#N)c2)c2ccccc21 583225697 APYLHLCRYVVQEC-KUHUBIRLSA-N 276.383 3.939 30 20 CHED CCN(CC#N)C(=O)CC1(CCc2ccccc2)CCCC1 498042217 CDZDXHRSJAVAPK-UHFFFAOYSA-N 298.430 3.942 30 20 CHED O=C(/C=C\c1ccc(C(F)F)cc1)c1cc2n(n1)CCC2 901560350 JSZQOAWXMJYACW-YVMONPNESA-N 288.297 3.663 30 20 CHED CC(C)n1cncc1/C=C1\Cc2c(Cl)cccc2C1=O 901466801 AEGIRZPCOJBFQX-IZZDOVSWSA-N 286.762 3.940 30 20 CHED C=C(C)CN1CCC(N[C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 491038353 PKJDUEDCASQFML-OXJNMPFZSA-N 298.474 3.858 30 20 CHED CN(C(=O)CCCCCC#N)c1ccc2ccccc2n1 588630189 XPSFDAMRNUUWBH-UHFFFAOYSA-N 281.359 3.672 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1cccc2ccccc12 497111831 BXNSIYXKNHIIMD-MRXNPFEDSA-N 282.387 3.994 30 20 CHED C=C[C@@H](CC)Cc1nc([C@H]2CCC(F)(F)C2)no1 904069748 QDCOVTUQKGPNEC-UWVGGRQHSA-N 256.296 3.727 30 20 CHED C=CCCC(=O)OCCCOc1c(C)cccc1C 733010974 SACBPJHTNXAOND-UHFFFAOYSA-N 262.349 3.582 30 20 CHED O=C(C#CC1CC1)N[C@H](c1ccccc1F)C1CCCC1 837462479 CMFZDTKLDCHGFO-SFHVURJKSA-N 285.362 3.587 30 20 CHED Cc1ccccc1C=NNc1ccc(Br)nc1 732713201 SHVVGUWMUIHZDH-UHFFFAOYSA-N 290.164 3.599 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(C(F)(F)F)[nH]1 838060770 KAJULISDSPFXTA-UHFFFAOYSA-N 288.269 3.520 30 20 CHED C=C[C@H](CCC(=O)O)NC[C@@H](CCC)c1ccccc1 904014529 UIYNLFUQSOIVSL-HZPDHXFCSA-N 275.392 3.579 30 20 CHED CCc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)s1 839053343 DCGAAOGASCHFTD-QWRGUYRKSA-N 263.362 3.550 30 20 CHED C=CCC[C@H](C(=O)O[C@@H](C)C(=O)CC)c1ccccc1 837652319 BYDJVRVMFNHIQQ-ZFWWWQNUSA-N 274.360 3.647 30 20 CHED CCC(CC)CN(CC)C(=O)CCCCCC#N 588289077 QIBCLVFESLMBIM-UHFFFAOYSA-N 252.402 3.745 30 20 CHED C=C1CCN(C(=O)Cc2ccccc2SCC)CC1 906580509 OTDBBQHMKSWKMR-UHFFFAOYSA-N 275.417 3.520 30 20 CHED C=C(C)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 839650363 LMJITKAGOONPGU-NSHDSACASA-N 292.232 3.503 30 20 CHED Cc1ccc(-c2ncc(C=NNC3CCCC3)s2)cc1 734299870 YBBKOQKLNNSBHM-UHFFFAOYSA-N 285.416 3.985 30 20 CHED C=CCCCCCN(C)S(=O)(=O)[C@H](C)c1ccccc1 583230850 CYGNTFWPRRWHND-OAHLLOKOSA-N 295.448 3.756 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H]2CCc3ccccc3C2)c1 732534487 RWBZNWXQJZPFIP-MRXNPFEDSA-N 289.378 3.802 30 20 CHED CCOC(CON=C(C)c1cc2ccccc2o1)OCC 588589252 ZJFGAABAAIXNTA-UHFFFAOYSA-N 291.347 3.573 30 20 CHED CC(=NNc1ccccc1Cl)c1nccs1 732622012 LNFPQSQDGIETIK-UHFFFAOYSA-N 251.742 3.633 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(F)c2)cnn1C(C)(C)C 588559257 OJHBDMCOQUCUGS-HJWRWDBZSA-N 286.350 3.982 30 20 CHED C[C@@H]1CC(=NNc2ccccc2)c2c(O)ccc(F)c21 730542127 TYKSMXUEZCVMMH-SNVBAGLBSA-N 270.307 3.855 30 20 CHED C=CCC1(C(=O)N[C@H](CC)c2ccccn2)CCCC1 911145379 ZPQYTKNJWCYDAL-CQSZACIVSA-N 272.392 3.785 30 20 CHED C#CCOc1cccc(OC(=O)C(C)(C)c2ccccc2)c1 730498431 UBFVCUCDNAPBFW-UHFFFAOYSA-N 294.350 3.582 30 20 CHED COc1ccc(C=NNc2ccccn2)cc1OCC(C)C 916273401 BEERPKHUCDIJMU-UHFFFAOYSA-N 299.374 3.571 30 20 CHED C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)CC(F)F 591853014 DTGDCYKQMAXNFT-SECBINFHSA-N 292.251 3.685 30 20 CHED N#CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 597914962 JMBANVDHWCLEPV-MRXNPFEDSA-N 296.414 3.651 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1ncccc1Cl 917549027 GUGDBMSQWKVQDH-UHFFFAOYSA-N 284.750 3.971 30 20 CHED C[C@@H](C=NNc1cc(Cl)ccc1[N+](=O)[O-])CCC#N 835008289 FBXKOIWTFGSMED-SECBINFHSA-N 280.715 3.586 30 20 CHED C=CCCSCCNC(=O)Nc1cccc(Cl)c1 596456916 ULKNCXJRDYDFGH-UHFFFAOYSA-N 284.812 3.771 30 20 CHED Clc1cccnc1NN=C1C2CC3CC(C2)CC1C3 917549633 XMCOFFLWUJACGP-UHFFFAOYSA-N 275.783 3.959 30 20 CHED C=CCCSCCNCc1cc2c(C)cccc2[nH]1 594968487 PCXUPBKIGXUPDB-UHFFFAOYSA-N 274.433 3.875 30 20 CHED CCN(CCc1ccc(C#N)cc1)Cc1occc1C 595548399 RGZHMWQJWAKBEY-UHFFFAOYSA-N 268.360 3.524 30 20 CHED C=C[C@H](C)ON=C(C)c1sc(C(C)C)nc1C 844621507 IENHEOWSXXGZPJ-VIFPVBQESA-N 252.383 3.890 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@@H](N)[C@@H](C)C1 841858529 RFMFAIQCAFVEHR-JKSUJKDBSA-N 297.487 3.506 30 20 CHED CC(C)(C)c1ccc(C(=O)OCC2(CC#N)CC2)cc1 744279166 ADPDKEAQPROGLQ-UHFFFAOYSA-N 271.360 3.835 30 20 CHED CCCCCCCCNc1ccc2c(c1)C(=O)NC2 749269683 VCIGPCKQBQBISZ-UHFFFAOYSA-N 260.381 3.702 30 20 CHED CCCCCCCCCCCC(=O)N1CCOC[C@H]1C#N 748342548 OOPQQLBLKCIKDL-MRXNPFEDSA-N 294.439 3.658 30 20 CHED CO[C@H](CN[C@@H](CCC#N)c1ccccc1)CC(C)C 591375701 UBLJTCDXTGYMFS-IRXDYDNUSA-N 274.408 3.682 30 20 CHED C=CCC[C@@H](CC)NC[C@H](CO)c1ccc(Cl)cc1 672620503 QCHUACFDSGDWEX-GDBMZVCRSA-N 281.827 3.750 30 20 CHED Cc1cc(C=NNc2ncccn2)c(C)n1C1CCCCC1 912974032 HCNAIQUZKCFORD-UHFFFAOYSA-N 297.406 3.846 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)c1ccc(CC)cc1 741639690 MGYLJUKQYZMWDP-UHFFFAOYSA-N 297.329 3.652 30 20 CHED C=C(CC)CNC(=S)N[C@@H](CC)c1cccs1 840826269 JIFFNNFSKGUEQQ-NSHDSACASA-N 268.451 3.630 30 20 CHED CC1(C)C[C@@H](C(=O)OCC2(CC#N)CC2)c2ccccc2O1 842312446 FRELIIYXCDBJQJ-CQSZACIVSA-N 299.370 3.568 30 20 CHED Fc1ccc(CNN=C2CCC(F)(F)CC2)cc1F 848414818 DMOCXTRZHUEJEZ-UHFFFAOYSA-N 274.261 3.620 30 20 CHED Cc1cc(C(=O)/C=C/c2ccnn2CC2CC2)cc(C)c1F 849245556 SOMVLEZCRQWCDM-AATRIKPKSA-N 298.361 3.945 30 20 CHED C=CCOc1ccccc1C(=O)O[C@H]1COc2ccccc21 746986212 UKJDFDDVRINKIJ-KRWDZBQOSA-N 296.322 3.542 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCCCCc1ccc(F)cc1 594088110 OSJDKMHMSIVJSJ-MRXNPFEDSA-N 290.382 3.689 30 20 CHED CC(=NNCc1ccccc1)c1cccc(OC(F)F)c1 916343839 JIXCIHCZDHAIMM-UHFFFAOYSA-N 290.313 3.802 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cc(C)on2)cc1 844549650 DHTAEVCQEZLZCV-TWGQIWQCSA-N 271.316 3.668 30 20 CHED Brc1cccc(NN=Cc2ccccc2)c1 745990722 IOZDMEKMRCQOBJ-UHFFFAOYSA-N 275.149 3.895 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](CCC(C)C)C(C)(C)C 593473368 BGQRRKKWFKKFCP-STQMWFEESA-N 252.402 3.503 30 20 CHED Cc1cc(C2=NNC(=Nc3ccccc3)SC2)ccc1F 749933713 GOMSGZOVSQZWGO-UHFFFAOYSA-N 299.374 3.862 30 20 CHED COc1ccc(C(C)=NNc2ccc(Cl)nc2)cc1 743449687 DSQARKJEQHNYFU-UHFFFAOYSA-N 275.739 3.580 30 20 CHED COc1ccc(/C=C2/CCc3c(O)cccc3C2=O)cc1C 742435487 UPUXBPSUTGPRPE-KAMYIIQDSA-N 294.350 3.922 30 20 CHED C[C@H](CO)N(C)N=C1CC=C(c2ccc(Cl)cc2)CC1 842538476 KVORYTKFWAZKTH-GFCCVEGCSA-N 292.810 3.576 30 20 CHED Cc1cccnc1CC(=NOCC(C)C)C(F)(F)F 749636820 SIMCRCSEGPVCAT-UHFFFAOYSA-N 274.286 3.523 30 20 CHED Cc1cc(-c2ccc(C#N)cc2)ccc1O[C@H]1CCOC1 592442867 WZVJDLAAJIKNOO-KRWDZBQOSA-N 279.339 3.701 30 20 CHED COc1ccc([C@@H](CC(C)C)NCCCC#N)cc1 592389426 ZZMXPVMZAUNUPA-MRXNPFEDSA-N 260.381 3.676 30 20 CHED CCC(C=NNc1oc(C(C)(C)C)nc1C#N)CC 746498305 VULLJSOJHAJKEE-UHFFFAOYSA-N 262.357 3.678 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCC[C@@H]1CCOC1 840708684 DAGZOMXEXOPEHS-ONDHQXCVSA-N 283.371 3.781 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C[C@H](C)C1CC1 748328389 YKKYBWUMZSQDFB-LBPRGKRZSA-N 285.391 3.755 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ccc(CC(=O)O)cc1 848415087 VKWRKANMWNJZEA-XJKSGUPXSA-N 286.375 3.704 30 20 CHED CC/C=C(/C)C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 847043379 LVSDTLJULILOFK-VXXVJXPCSA-N 270.376 3.628 30 20 CHED C[C@H](NC(=O)/C=C/c1ccccc1C#N)C1CCCCC1 741596973 PXAJCXWZJBOGCF-GETOMWPZSA-N 282.387 3.656 30 20 CHED CCOc1cc(C)ccc1CNc1nc(C#N)ccc1C 596155457 ASWHZPDHJYOBQJ-UHFFFAOYSA-N 281.359 3.581 30 20 CHED C=C(C)CCOC(=O)c1ccc(Br)s1 744302849 CDVWEIXGHUIVMR-UHFFFAOYSA-N 275.167 3.634 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)nn1C 840714880 JJUVXFBVJCLMRG-ZHACJKMWSA-N 282.387 3.922 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cccc(C#N)c1 920382839 PRIDZDUHTGSMOO-ZDUSSCGKSA-N 263.344 3.633 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1ncc(C#N)cc1C 851145390 WUXQQORAZAYKEK-LSDHHAIUSA-N 284.359 3.553 30 20 CHED COC1(C(C)=NNc2ccc(Cl)c(F)c2)CCC1 853314404 OWONZYNPZGSRQP-UHFFFAOYSA-N 270.735 3.836 30 20 CHED N#CC[C@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 853760218 BEDCXCJGCUSBAF-SNVBAGLBSA-N 295.289 3.662 30 20 CHED C=CCOC(=O)C1(c2c(Cl)cccc2Cl)CC1 759440297 VWQODGRVSBQTBD-UHFFFAOYSA-N 271.143 3.754 30 20 CHED C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc2ccccc12 852099013 BFWWYYVNJPJBPD-IFXJQAMLSA-N 294.398 3.558 30 20 CHED CN(C)c1ccc(Cl)cc1N=Cc1cccc(O)c1O 920944307 UPGJEQCVYHQRAZ-UHFFFAOYSA-N 290.750 3.568 30 20 CHED C#CCOc1ccc([C@H](C)NCCCOC(C)(C)C)cc1 850526931 TVCJFXVTAZIOID-HNNXBMFYSA-N 289.419 3.554 30 20 CHED CCCCCCOc1ccc(CNC[C@@H](C)C#N)cc1 757906085 IOOLKPXHHCQPCV-HNNXBMFYSA-N 274.408 3.895 30 20 CHED Fc1cc(F)cc(NN=C[C@@H]2CCOc3ccccc32)c1 752164110 IXTKRTOFJQLWEJ-NSHDSACASA-N 288.297 3.929 30 20 CHED C(=NOCc1cccnc1)c1cccn1Cc1cccs1 755801700 KMFGDYICVFIHHP-UHFFFAOYSA-N 297.383 3.544 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2nc(Cl)cs2)cc1 759071136 FQULCYSKLFCTOB-WAYWQWQTSA-N 274.732 3.564 30 20 CHED FC(F)(F)CON=Cc1cccn1Cc1cccs1 755803680 USWZPYSKNPSSHQ-UHFFFAOYSA-N 288.294 3.511 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1c(C)[nH]c2ccccc12 755987927 HAISTWYHNZTNSB-LBPRGKRZSA-N 257.333 3.527 30 20 CHED CCCc1ccc(CCCC(=O)N2CCC[C@H](C#N)C2)cc1 928214635 QHOCMODXIJTEJE-GOSISDBHSA-N 298.430 3.724 30 20 CHED CC(C)C#CC(=O)Nc1ccc(SC(F)F)cc1 854116497 LCYFPHXMSXFPOP-UHFFFAOYSA-N 269.316 3.599 30 20 CHED CC(C)CCOC(=O)Oc1ccc(C#N)c(Cl)c1 859124584 NUVQOGVTSDWNSY-UHFFFAOYSA-N 267.712 3.773 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(SC(F)F)c1 757222337 NWMGSVQVEQRQKZ-MRVPVSSYSA-N 272.320 3.697 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1cc(F)ccc1O 757467172 BJCSXARNGAWVMK-VURMDHGXSA-N 293.297 3.976 30 20 CHED CCCCCCCNC(=O)Nc1cc(N)ccc1C 859698783 BOBYCWCJIHFZDJ-UHFFFAOYSA-N 263.385 3.669 30 20 CHED CCCCCCCCC(=O)N[C@H](CC)[C@@H]1CCCO1 756105006 DTWDJFIPYRBTMM-CABCVRRESA-N 269.429 3.811 30 20 CHED Fc1ccc(NN=C[C@H]2CCOc3ccccc32)cc1 752156275 ZMHKHECBVKBDSK-GFCCVEGCSA-N 270.307 3.790 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNCc1ccc(C#N)cc1 756895508 QFHBFRVRIWUHTH-UHFFFAOYSA-N 297.789 3.952 30 20 CHED C#CCOc1ccccc1CN(C)[C@H](C)c1cccs1 768417433 OKESKCLSXGFGQK-CQSZACIVSA-N 285.412 3.953 30 20 CHED C=C(C)CNC(=S)Nc1cc(-c2ccccc2)cnc1C 760244308 KNOUEOLTCVVSNK-UHFFFAOYSA-N 297.427 3.920 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H](c2ccccc2OC)C1 933284457 IEMIWNKCUUPSDW-CABCVRRESA-N 287.403 3.613 30 20 CHED C[C@@H](CCc1ccsc1)NCc1ccc(C#N)cc1 765601280 PMONISDWIFSNAM-ZDUSSCGKSA-N 270.401 3.731 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(C)cc(N(C)C)cc1C 935050495 GDCFZVOUPJUYSJ-AWEZNQCLSA-N 274.408 3.910 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 935580563 JLJLHXMEMCVZDV-GHMZBOCLSA-N 277.330 3.778 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cccc(F)c1 766772564 UWULFQBPHFTVCB-VOTSOKGWSA-N 255.292 3.679 30 20 CHED C=CCCC(=O)COC(=O)C[C@H](C)c1ccc(F)cc1F 761427758 NVDWTSUIFPSDRM-NSHDSACASA-N 296.313 3.537 30 20 CHED C#CCCN(Cc1ccc(Cl)s1)CC(F)(F)F 767899658 KAGKVELEDCERAQ-UHFFFAOYSA-N 281.730 3.789 30 20 CHED COc1cc(F)c(C(=O)/C=C/c2ccsc2)cc1OC 760262574 BHUOJURBTVGRNE-ONEGZZNKSA-N 292.331 3.801 30 20 CHED CC(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)cn2)CC1 1163112687 KJROPDNTLFARIC-CABCVRRESA-N 257.381 3.970 30 20 CHED C=CCC(C)(C)c1nnc(-c2nnc(-c3ccccc3)o2)o1 1118371829 XZHACCCAPQIJHS-UHFFFAOYSA-N 296.330 3.640 30 20 CHED Cc1cc(C)c(C=NNc2ccc(Cl)cc2[N+](=O)[O-])[nH]1 760242998 MHTDGPHJGLYULA-UHFFFAOYSA-N 292.726 3.639 30 20 CHED CCCCCCCC(=O)N(C)[C@H](C)C1CCN(C)CC1 765105763 DFXCPKZYRJACON-OAHLLOKOSA-N 282.472 3.536 30 20 CHED CC(C)C[C@H](C)CC(=O)Oc1ccc(C#N)cc1F 769739359 JEFBCGUDYRAGSM-NSHDSACASA-N 263.312 3.675 30 20 CHED C#CCCc1noc([C@@H]2C[C@H]2c2cccc(Cl)c2)n1 762011588 MYQJMPOKMMNHGJ-QWHCGFSZSA-N 272.735 3.560 30 20 CHED COc1cc(F)ccc1NN=C[C@H]1C[C@H]2CC[C@H]1C2 761884872 MKZLLFKKHKJYSB-SDDRHHMPSA-N 262.328 3.668 30 20 CHED CC(C)(c1ccncc1)c1noc(C2(C#N)CCCCC2)n1 871854641 BCBCPJZLUKBLKU-UHFFFAOYSA-N 296.374 3.516 30 20 CHED Cc1nc2ccccc2cc1C(=O)OCCC(C)(C)C#N 776365863 JQJVDMYUTRCUBV-UHFFFAOYSA-N 282.343 3.640 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=Cc1cc(C#N)cs1 777448873 RUYFSWKGKSVQJR-KRWDZBQOSA-N 297.427 3.811 30 20 CHED CC(C)(C)c1ccc(C(=O)OCC2(C#N)CC2)s1 775868267 OZSBMERMZFHOQT-UHFFFAOYSA-N 263.362 3.506 30 20 CHED Cc1ccc(F)cc1C(=O)OCc1cccc(C#N)c1F 774911718 IGNFPLHNPDXWMF-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#C[C@H](OC(=O)[C@@H](C)Oc1cccc2ccccc12)C1CC1 774154251 DGZCDOBTMCSGOA-DYVFJYSZSA-N 294.350 3.562 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3cc(F)ccc3F)n2c1 771851762 VBXDSRNQDXALKE-GQCTYLIASA-N 298.292 3.817 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2OC(=O)c1c[nH]c(C#N)c1 779237318 TYFPSMCQRBBVDM-IAQYHMDHSA-N 280.327 3.600 30 20 CHED Fc1ccc2c(c1)C(=NOCCC(F)(F)F)CCS2 777455948 PONPITTZJLYGSA-UHFFFAOYSA-N 293.285 3.995 30 20 CHED C=C(CC)COC(=O)/C=C\c1nc2ccccc2s1 773449080 DBOYNFDPOXRPIR-HJWRWDBZSA-N 273.357 3.819 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(F)c1F 870428750 MAEWTYILPNFZOT-WDEREUQCSA-N 279.286 3.512 30 20 CHED CCc1noc(C2CCC(=NOC3CCCCC3)CC2)n1 777457199 OLCLTNLBFSNWHA-UHFFFAOYSA-N 291.395 3.995 30 20 CHED C#CCCCCCC(=O)Nc1nc2ccccc2n1CC 779754691 JBFDSJQFWYWLCJ-UHFFFAOYSA-N 283.375 3.578 30 20 CHED N#Cc1cccc(COC(=O)c2cccc(Cl)c2)c1F 774882956 NDSCSSUZEUCUNZ-UHFFFAOYSA-N 289.693 3.708 30 20 CHED N#C[C@H](OC(=O)c1cc2ccsc2[nH]1)C1CCCCC1 776362504 FXBBTHHBBMVGIA-ZDUSSCGKSA-N 288.372 3.859 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cn(C)nc1CC 770688062 GGRXIHIZVXQVJK-CQSZACIVSA-N 293.455 3.709 30 20 CHED CC1(C)CC(=NOCCC(F)(F)F)c2ccoc2C1 777460501 XWOHMVIOCPAPKN-UHFFFAOYSA-N 275.270 3.925 30 20 CHED CCC(=NOCCC(F)(F)F)c1ccc(OC)cc1 777461150 VBIVWRLKXKFRRR-UHFFFAOYSA-N 275.270 3.778 30 20 CHED COc1ccc(C#N)cc1COc1c(C)ccnc1Cl 779643528 VVKKTDSKKZUZLA-UHFFFAOYSA-N 288.734 3.503 30 20 CHED CCCCCC[C@H](C)NN=C1CCOC2(CCOCC2)C1 884432391 CYKSGFGIDSAIKM-HNNXBMFYSA-N 296.455 3.651 30 20 CHED CCCCCCCCCC(=O)N(C)Cc1nccn1C 886929366 RKDSPFYMWUYOKD-UHFFFAOYSA-N 279.428 3.519 30 20 CHED Cc1c(F)cccc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 1126527418 NTPHPMDRMSDPII-LBPRGKRZSA-N 296.345 3.823 30 20 CHED CC(C)(C#N)CC(=O)OCc1ccc(C(C)(C)C)cc1 781944834 WLMONQWTLYCHHE-UHFFFAOYSA-N 273.376 3.967 30 20 CHED C#CCC1(C(=O)NCC2(C)CCCC2)CCCCC1 788209935 NVYDETSPUQCRGL-UHFFFAOYSA-N 261.409 3.657 30 20 CHED C=C[C@@H]1CCCCN1C(=S)N[C@@H](C)c1cccs1 782408963 QVSOSRGQNOPSPQ-NWDGAFQWSA-N 280.462 3.724 30 20 CHED C=C(C)CN(CC)C(=O)CSCCSC(C)(C)C 783553533 ASLGELHJHWMKGR-UHFFFAOYSA-N 289.510 3.676 30 20 CHED Cc1c(Cl)cnc(SCc2ccco2)c1C#N 784139706 NRLHRNXKPLYQCA-UHFFFAOYSA-N 264.737 3.800 30 20 CHED C1CCC2(CC1)CCC(=NOC[C@@H]1CCOC1)CC2 788030322 MQCQZPQTXAAPEK-CQSZACIVSA-N 265.397 3.920 30 20 CHED C=CCCCCCOC(=O)C[C@H](C)c1c(C)n[nH]c1C 784364933 NYVJRBHNZNGJES-LBPRGKRZSA-N 278.396 3.810 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 784201189 XKQSZFVKXMQVFI-JKOKRWQUSA-N 289.762 3.691 30 20 CHED c1ccc2c(c1)COCC2=NNc1cccc2c1CCCC2 782206050 OTVRSQHBXPYFNS-UHFFFAOYSA-N 292.382 3.912 30 20 CHED N#Cc1cccc(Nc2cnn(C3CCCC3)c2)c1[N+](=O)[O-] 895889273 VGQFTRFUXYQKGD-UHFFFAOYSA-N 297.318 3.522 30 20 CHED Clc1c(C=NOC[C@H]2CCOC2)sc2ccccc12 788034616 UPUUADWPJDUDTC-JTQLQIEISA-N 295.791 3.942 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cc(Cl)cs1 782111238 OBERVKMYIYLDHM-UHFFFAOYSA-N 281.724 3.756 30 20 CHED O=C(O)c1csc(/C=C/C(=O)c2ccc(F)cc2F)c1 782199877 JJJFZZSXTBTZCD-DUXPYHPUSA-N 294.278 3.621 30 20 CHED O=C(/C=C/c1ccc(F)c(Cl)c1)c1cncs1 787168016 HAWQXEBKQLIYDC-DUXPYHPUSA-N 267.712 3.832 30 20 CHED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCF)n2)cc1 892512414 FSVLADDGQHZIPH-GFCCVEGCSA-N 288.347 3.654 30 20 CHED N#Cc1ccc(N[C@@H]2CCCc3sccc32)c(CO)c1 893208758 GXCPSYUWAKREFW-OAHLLOKOSA-N 284.384 3.602 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccc2[nH]c(C)cc2c1 794689834 UAKXTKXFWDVZPR-YBFXNURJSA-N 294.354 3.810 30 20 CHED CC(C)C[C@@H](C)C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 799104582 BYJSSKNAAXBLKR-SNVBAGLBSA-N 294.311 3.583 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)CCCC 799922548 KILQJJFKYOUMOX-CQSZACIVSA-N 275.367 3.614 30 20 CHED Cc1c(C(=O)O[C@H]2C=CCC2)sc2ccc(C#N)cc12 797047824 HCLCIQOASXJMGQ-LBPRGKRZSA-N 283.352 3.957 30 20 CHED N#CC1(CNC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 797428023 FGFCOLBGABKVAD-UHFFFAOYSA-N 291.354 3.779 30 20 CHED COCc1ccc(C=NN[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)o1 794541831 ULXPSXXEFIPQNP-ISTRZQFTSA-N 290.407 3.564 30 20 CHED C#CCCCCNC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 792604742 YMWTVDWXRKAKAA-HZPDHXFCSA-N 283.415 3.896 30 20 CHED N#Cc1ccc(OC(=O)[C@H](F)CC2CCCCC2)cc1 796504131 CGHPOIIFPICTBO-OAHLLOKOSA-N 275.323 3.772 30 20 CHED CC(C)[C@H]1CCCCC1=NNCCC(F)(F)F 794547971 NZEBCMWKURFOHS-SNVBAGLBSA-N 250.308 3.731 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1coc(C(C)C)n1 799477259 NBZUFHOFHINDHZ-UHFFFAOYSA-N 293.317 3.590 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1ncccc1F 792073879 FGQPXOADBBHILX-AWEZNQCLSA-N 294.414 3.876 30 20 CHED CC[C@H](C)CON=Cc1cccc(OC)c1OC(F)F 793145357 IOYLFCMTJFEKGE-JTQLQIEISA-N 287.306 3.693 30 20 CHED CC[C@@H](CC#N)Nc1cc(-c2cccc(Cl)c2)ncn1 1307091662 ZWZPNAALLJOEPS-ZDUSSCGKSA-N 286.766 3.901 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@H]2CCCC[C@H]2C1 1318531714 PSQCXZAXBCTHES-ZJUUUORDSA-N 281.812 3.685 30 20 CHED C=CCCN[C@@H](C)c1sccc1Br 168552173 HHRBMRWRCRGWHR-QMMMGPOBSA-N 260.200 3.737 30 20 CHED C=CCC(F)(F)C(=O)N(CCc1ccccc1)C(C)C 1325517860 NEBJQLUPUAHCMB-UHFFFAOYSA-N 281.346 3.678 30 20 CHED C[C@H](Nc1c(C#N)nnc2ccccc12)c1cccs1 85919969 QQYCFQLAEHIJNP-JTQLQIEISA-N 280.356 3.736 30 20 CHED Cc1ccc(CNc2cc(F)cc(C#N)c2)cc1F 600855509 FQDYEIOHLFMTKC-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCCCCCCN[C@@H](C)CC(=O)Nc1ccccc1 703722172 GDIUAFGJGWYTEQ-HNNXBMFYSA-N 276.424 3.964 30 20 CHED Cc1cc(C)c(NN=Cc2cccc3cn[nH]c23)c(C)c1 1322141315 PFFDFPMJJZLVRD-UHFFFAOYSA-N 278.359 3.934 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC(C)(C)CC)c1 744504283 NDQQYSKXACMSQV-UHFFFAOYSA-N 257.377 3.847 30 20 CHED N#CCOc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 1254105032 RXVFQQKYUIQPLY-GOSISDBHSA-N 296.345 3.505 30 20 CHED Cc1ccc(-c2ccc(C=NNc3ccn(C)n3)s2)cc1 1326242751 WWKYEROEFMDMNY-UHFFFAOYSA-N 296.399 3.903 30 20 CHED N#CC1(NC(=O)C2CCCCCCC2)CCCCC1 86579661 JLGSCDJPDNUYBO-UHFFFAOYSA-N 262.397 3.690 30 20 CHED Cc1ccc(CC2CCN(c3cccc(C#N)n3)CC2)cc1 1337596694 YVVPXOASAWVNOA-UHFFFAOYSA-N 291.398 3.721 30 20 CHED CCCCCCC[C@@H](C)N[C@@H]1CCn2ccnc2C1 779194649 WOSXOHHPRFUNBA-HUUCEWRRSA-N 263.429 3.537 30 20 CHED CCC[C@]1(C)CCCN(c2cc(C)c(C#N)cn2)C1 1185526443 BKFXQRBALVPKIO-MRXNPFEDSA-N 257.381 3.668 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1ccc(OC)cc1 1339280727 LZQNYDIRDMATOX-MRXNPFEDSA-N 287.403 3.585 30 20 CHED N#C[C@H](C(=O)C=C1CCCC1)c1nc2cccc(Cl)c2[nH]1 1344930485 NTVXSIWZDNGVGF-LLVKDONJSA-N 299.761 3.893 30 20 CHED COc1cc(C#N)ccc1C(=O)Nc1ccc(C(C)C)cc1 1348749898 SEEKXWZYCFFPOM-UHFFFAOYSA-N 294.354 3.943 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc2cc(C)c(C)cc2o1 1342733394 QBKUKXJVSVONKT-ZFWWWQNUSA-N 273.376 3.901 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc2c(C)cc(C)nc2s1 1345887360 NPMBKIQDISJBPD-LLVKDONJSA-N 288.372 3.762 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H]1CCC[C@H](C)C1 1351264048 OVXLQNVNGKZGIN-FZMZJTMJSA-N 257.333 3.602 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1csc(C#N)c1 1520689603 OSEMMZOUZGFWNE-SMDDNHRTSA-N 276.405 3.708 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(CC)CCCC 1539799278 OPAIRZTXEVTKPD-UHFFFAOYSA-N 296.846 3.925 30 20 CHED Cc1c(F)cccc1C(=O)Nc1cc(C#N)c(F)cc1F 1535439655 RMOQECHRSMYQPS-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@@H]1CCC[C@H](Cn2cc(C#N)c3ccccc3c2=O)C1 1614734256 GVMXWHCWZFPCSZ-KGLIPLIRSA-N 280.371 3.699 30 20 CHED Cc1cc(C#N)nc(NC2CCC3(CCCCC3)CC2)n1 1472758334 LXMAEVHLWQUTQY-UHFFFAOYSA-N 284.407 3.962 30 20 CHED CC1(C)CC(CNCc2cccc(C#N)n2)CC(C)(C)C1 1621431369 KVDOTYVNHLZBAF-UHFFFAOYSA-N 285.435 3.895 30 20 CHED CCc1nc(C#N)cc(SC2CCC(C)(C)CC2)n1 1639791527 PWKNWSLIIRGREQ-UHFFFAOYSA-N 275.421 3.972 30 20 CHED C[C@@H](CCSc1ccccc1)N1CCC[C@@H](C#N)C1 1644439990 URWUMHDKQRMVKI-GJZGRUSLSA-N 274.433 3.793 30 20 CHED CC(C)c1ccc(C(=O)Nc2cccc(CC#N)c2)c(O)c1 1640867567 DBWRVYPNDMEGHE-UHFFFAOYSA-N 294.354 3.834 30 20 CHED C#Cc1cccc(N(C)Cc2ccc(C(=O)O)c(Cl)c2)c1 1588522439 XVRHNZBNFFBZOB-UHFFFAOYSA-N 299.757 3.656 30 20 CHED N#Cc1nc(N2CCc3c(F)cccc32)sc1Cl 1651725617 CDLMFHAKRZWCTJ-UHFFFAOYSA-N 279.727 3.501 30 20 CHED C[C@H]1CC[C@@H](Nc2nccc(Oc3cccc(C#N)c3)n2)C1 1655855992 GIRIINXTGWSVMO-GXTWGEPZSA-N 294.358 3.741 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CCC[C@@H](C)C1 1749267200 PFLMPBVASBGGLN-LLVKDONJSA-N 294.830 3.534 30 20 CHED CCCC1(CNC(=O)Nc2cc(C)cc(C#N)c2)CC1 1672775228 HFLHJXKICFQWMW-UHFFFAOYSA-N 271.364 3.569 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1csnc1C 1776784362 BKYXARCUXSERHL-CQSZACIVSA-N 298.452 3.745 30 20 CHED C=CCC[C@@H]1CCCN1Cc1ccc(C(=O)O)c(Cl)c1 1776170860 WQGSQGVSULYPMO-CYBMUJFWSA-N 293.794 3.969 30 20 CHED C=CCCCCN1C[C@@H](C(=O)O)C[C@@H](c2ccccc2)C1 1776207679 BJRKQZWYMLCIIX-SJORKVTESA-N 287.403 3.533 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@@H]2C=CCCCC2)CC1 1776168183 FGRQXVRQUZWNMN-MRXNPFEDSA-N 291.435 3.866 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)C1C(C)(C)C1(C)C 1776013458 XPLKTNJZPWWYIL-UHFFFAOYSA-N 274.364 3.855 30 20 CHED C=CCCC[C@@H](NCc1ccccc1C(C)(C)C)C(=O)O 1776207342 SPIKQYKTUHYBAF-MRXNPFEDSA-N 289.419 3.883 30 20 CHED Cc1ccc2cc(C=NNc3cccc(C(=O)O)c3)[nH]c2c1 1776037481 KOPJNTHCUUVIKZ-UHFFFAOYSA-N 293.326 3.621 30 20 CHED C=CCN(Cc1ccc(F)cc1)Cc1ccc(C(=O)O)cc1 1776180026 IPECKNGTIAJOCC-UHFFFAOYSA-N 299.345 3.712 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/C=C/c2ccccc2)c1 1777684989 ZGCZWVKSWPEYDB-XFRMRLMGSA-N 278.307 3.837 30 20 CHED N#CCOc1cc(F)ccc1NCc1ccc(F)c(F)c1 150767032 JBTWZDYGMLVTEI-UHFFFAOYSA-N 292.260 3.618 30 20 CHED N#Cc1ccc(OC(=O)CCC2CCCC2)c(F)c1 158239219 JSQPYTMVBNHYDA-UHFFFAOYSA-N 261.296 3.573 30 20 CHED N#Cc1ccc(CNc2cc(F)ccc2OC(F)F)s1 152357486 FSXOLARFRLBRKY-UHFFFAOYSA-N 298.289 3.972 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(C#N)c(Cl)c1 154157444 AVJGFDCPZLKPAK-PHIMTYICSA-N 276.767 3.615 30 20 CHED COc1ccc(C)cc1NCc1ccc(C#N)s1 157468882 OPCOMQWSBHCPHZ-UHFFFAOYSA-N 258.346 3.549 30 20 CHED C#CCCCCNC(=O)c1ccc(SC(C)C)cc1 156528525 DFEYUXGTNTVXKX-UHFFFAOYSA-N 275.417 3.720 30 20 CHED C[C@@H]1CCCN(c2c(Br)cccc2C#N)C1 1651306091 UKEDWTXQSSUPFY-SNVBAGLBSA-N 279.181 3.557 30 20 CHED C[C@H](CC(C)(C)C#N)NCCC1CC(OC(C)(C)C)C1 926284318 CBOXMGSREPNZOH-WLYUNCDWSA-N 280.456 3.888 30 20 CHED CCOc1cccc(CNc2ccc(F)cc2C#N)c1 113317166 OTIVUFADLZXIIY-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CC(C)Oc1ccc([C@H](C)NCC(C)(C)C#N)cc1 122299187 NWJSPCOWPAVQGL-ZDUSSCGKSA-N 260.381 3.674 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2ccc(Cl)cc2)n1 22798180 WCHDRBFDIBMMPJ-UHFFFAOYSA-N 285.778 3.878 30 20 CHED N#Cc1cccc(COc2cc(Cl)ccc2C#N)c1 161663880 LAJGAWLOYKCYAN-UHFFFAOYSA-N 268.703 3.662 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cnc2ccccc2c1 55142452 LKZWXZHHSVZJIQ-UHFFFAOYSA-N 267.332 3.503 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(F)ccc2C)c1 308208658 VINUPWMOUOJZKG-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CCO[C@H]1C[C@@H](Nc2cccc(C#N)c2)C12CCCC2 85677949 WPXXXIGECKXHRH-CVEARBPZSA-N 270.376 3.708 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 442800793 NBBDIQBHCMHNRI-UHFFFAOYSA-N 292.382 3.755 30 20 CHED Cc1ccc(C)c([S@](=O)Cc2ccc(CC#N)cc2)c1 342133051 JJPDADHRSYQBOL-HXUWFJFHSA-N 283.396 3.677 30 20 CHED CSc1ccc(C(C)=NNCc2ccccc2)cc1 916343700 BHLLLIDTCDOIKR-UHFFFAOYSA-N 270.401 3.922 30 20 CHED C#C[C@H](C)N(C)Cc1cc(Cl)ccc1Br 775179154 LICNMQBLARKRPR-VIFPVBQESA-N 286.600 3.556 30 20 CHED N#Cc1ccc(OCCSc2ccccc2)cc1 34651346 KENIYKXQXDWJDN-UHFFFAOYSA-N 255.342 3.729 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cc1 34992047 BUDAJPMLZPZTFS-CYBMUJFWSA-N 284.334 3.579 30 20 CHED N#Cc1ccc(NC(=O)CCCc2ccc(F)cc2)cc1 40644642 XXXVABNDJPDDAQ-UHFFFAOYSA-N 282.318 3.659 30 20 CHED CCN(Cc1ccc(OC(F)(F)F)cc1)C[C@H](C)C#N 42449611 IUWZCICSBMCKCI-LLVKDONJSA-N 286.297 3.567 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)c1cccc(CC#N)c1 44971650 GYRQEURWSCYDDB-GFCCVEGCSA-N 284.384 3.647 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccccc1C(C)=O 45170904 NZYNGKFLKJASKN-UHFFFAOYSA-N 295.338 3.706 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc(C)c1C 49489995 VHZLTYUJCWPUSY-UHFFFAOYSA-N 264.328 3.736 30 20 CHED C[C@H](OC(=O)c1sccc1C#N)c1cc(F)ccc1F 52222953 NRKFLZLUVUJBSW-QMMMGPOBSA-N 293.294 3.816 30 20 CHED C=C(C)CN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 53137763 XGJBMYYLJCIDNN-UHFFFAOYSA-N 297.345 3.837 30 20 CHED N#Cc1ccc(N2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])c1 54838567 DEPFKDTWQIBDKQ-AWEZNQCLSA-N 285.347 3.625 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1C 59950427 AVWDPTDCSWTJEU-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#Cc1ccnc(SCc2ccc(OC(F)F)cc2)c1 60429539 JDQIMRUNPVBCIE-UHFFFAOYSA-N 292.310 3.847 30 20 CHED CCN(Cc1ccccc1)c1cccc(F)c1C#N 60991491 JKXVJSLCKUITIT-UHFFFAOYSA-N 254.308 3.724 30 20 CHED Cc1ccc(-c2ccsc2C(=O)N(C)C[C@@H](C)C#N)cc1 65880876 YAYYDQQKAGEKKY-ZDUSSCGKSA-N 298.411 3.955 30 20 CHED N#Cc1cccc(-c2csc(-c3ccoc3)n2)c1 70414742 SZYMAOMYPCQMJG-UHFFFAOYSA-N 252.298 3.942 30 20 CHED CSc1ccc([C@@H](C)Nc2ncccc2C#N)cc1 75669142 FHHBXUXTLKMPMD-LLVKDONJSA-N 269.373 3.848 30 20 CHED Cc1cc(/C=C/C(=O)c2cncc(F)c2)ccc1F 78022956 MUDSITVHJPQXQM-HWKANZROSA-N 259.255 3.564 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N[C@@H]1CCSC1 78502368 HSVNISONVQVVAL-LLVKDONJSA-N 289.791 3.677 30 20 CHED CC(=O)Nc1c(C)ccc(NCc2cccc(C#N)c2)c1C 78824671 CMMWWYHNEBOCJT-UHFFFAOYSA-N 293.370 3.746 30 20 CHED C=CCn1c(S[C@@H](C)CC)nnc1-c1ccco1 78837787 NSJWGHZJIPQBSF-JTQLQIEISA-N 263.366 3.615 30 20 CHED CC[C@@H]1CCC[C@@H](NCc2cc(C#N)ccc2F)C1 85065289 JNTHLLBEGTXBJQ-IUODEOHRSA-N 260.356 3.756 30 20 CHED COc1ccc(CN2CCc3sccc3[C@H]2C)cc1C#N 87833326 VYISMBSCKNRZNB-GFCCVEGCSA-N 298.411 3.748 30 20 CHED C=CCCOCCN[C@@H](C)C(C)(C)c1ccccc1 90883565 VLNTYFYNELBNAN-HNNXBMFYSA-N 261.409 3.535 30 20 CHED Cc1cc(F)ccc1CCN[C@H](C)c1ccc(C#N)cc1 94950033 LNGMIJANLMCZRM-CQSZACIVSA-N 282.362 3.899 30 20 CHED COc1cc(C#N)ccc1OCc1cc(F)ccc1C 97849368 QELYAJLSYCQCEX-UHFFFAOYSA-N 271.291 3.593 30 20 CHED Cc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1F 103025848 WHFWOVZTDYCKHG-UHFFFAOYSA-N 282.318 3.577 30 20 CHED COc1cccc([C@H](C)Nc2ccc(C#N)cc2F)c1 112012251 KBTWRSGLQWMBQV-NSHDSACASA-N 270.307 3.879 30 20 CHED CC(C)[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)CC1 114779651 UYCFZLDZOWFCPL-HNNXBMFYSA-N 285.391 3.848 30 20 CHED N#C[C@@H](NC(=O)CCC1CC1)c1cccc(Cl)c1Cl 115376606 RNLDBAVJVLEFLD-GFCCVEGCSA-N 297.185 3.864 30 20 CHED C=CCCCOC(=O)CCC(=O)c1ccc(C)s1 117993636 XCDXFRMVHQMBRY-UHFFFAOYSA-N 266.362 3.529 30 20 CHED N#Cc1cccc(NC(=O)c2cc(Cl)ncc2Cl)c1 121587916 YUUKYLNRCWIVQK-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCCCc1ccc(CC(=O)N[C@@](C)(C#N)C(C)C)cc1 122284454 QQVPQZQKGFSSQT-SFHVURJKSA-N 286.419 3.626 30 20 CHED C=C(C)COCCNCc1cccc(Cl)c1Cl 125814190 YDYURRHHYWQMLT-UHFFFAOYSA-N 274.191 3.676 30 20 CHED COCc1ccc(/C=C2\Cc3ccccc3C2=O)cc1 132421766 NXVCVAWCBMAWKB-MHWRWJLKSA-N 264.324 3.655 30 20 CHED CC(=O)c1ccc(OCc2cc(C#N)ccc2F)c(F)c1 134572099 GEIDDYMKKMLTTQ-UHFFFAOYSA-N 287.265 3.618 30 20 CHED CCCCCCCCCn1c(C)nc(C#N)c1C#N 135479320 GPNOQYBCXUUGPG-UHFFFAOYSA-N 258.369 3.685 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[C@H](SCC)C1 151032797 FLEKSUKTIRPSRJ-CABCVRRESA-N 281.465 3.887 30 20 CHED CCN(C(=O)c1ccc(F)cc1C)c1ccc(C#N)cc1 152251056 HOGVJFKYILRRFF-UHFFFAOYSA-N 282.318 3.673 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc(F)cc2)CC1 153027943 FAZRSPOZIPUTRN-CQSZACIVSA-N 276.399 3.517 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@]1(C)CCCS1 153096532 AACKTTWIJWQJIL-HNNXBMFYSA-N 284.469 3.660 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)nc1 153750557 GNJKHKKRLBSWDL-UHFFFAOYSA-N 279.387 3.674 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 154166027 KBCDHGBAESNEHB-JMJZKYOTSA-N 284.186 3.788 30 20 CHED CCN(CC#N)C(=O)C1(c2cccc(C)c2)CCCCC1 154974108 LUVBZUZJQIHZCX-UHFFFAOYSA-N 284.403 3.569 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(F)cc1F)C(C)C 155130326 FFOWESZYIWATPS-HZMBPMFUSA-N 282.334 3.536 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1SC(F)F 156191446 WRUPUFWNIIQZOA-UHFFFAOYSA-N 272.320 3.651 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)cc1 157470201 HFKILWQUCSSYLH-UHFFFAOYSA-N 295.317 3.524 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(C)cc(C)nc1C 159326331 SWNDYXJGDHCNOT-UHFFFAOYSA-N 258.365 3.714 30 20 CHED CCn1cc(C(=O)/C=C/c2cccc(Cl)c2F)cn1 160715994 ONOXUDAAXQRWOT-VOTSOKGWSA-N 278.714 3.592 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(F)c(Br)c1 161747125 IMVDIHUAWDUFGZ-MRVPVSSYSA-N 292.579 3.991 30 20 CHED N#CCOc1cccc(NCc2cccc(Cl)c2F)c1 166378858 LWWRZSLTCUISKN-UHFFFAOYSA-N 290.725 3.994 30 20 CHED N#Cc1cc(F)ccc1COc1c(F)cccc1F 170852459 ODWMPHDJRBFLCK-UHFFFAOYSA-N 263.218 3.555 30 20 CHED N#CCCCCNC(=O)c1cccc(Oc2ccccc2)c1 171507422 HKVFXSRNQCQQGZ-UHFFFAOYSA-N 294.354 3.903 30 20 CHED Cc1cccc(C(=O)/C=C/c2nccn2CC(F)(F)F)c1 171538183 UHCQSPSFOXSUCK-AATRIKPKSA-N 294.276 3.650 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1cccc(CC#N)c1 172469572 RLQOWISEKKVJHL-ZDUSSCGKSA-N 272.392 3.697 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc2cc[nH]c12 173428689 VQEBFEUTXNUOBM-UHFFFAOYSA-N 290.366 3.996 30 20 CHED N#Cc1ccccc1SCc1nc(-c2ccccc2)no1 173713010 GGOVXPWQDAEXCW-UHFFFAOYSA-N 293.351 3.901 30 20 CHED N#Cc1ccc(CNCc2ccc3ccccc3c2)o1 174309180 MXTVSGSBGKKTTL-UHFFFAOYSA-N 262.312 3.594 30 20 CHED N#Cc1cc(F)ccc1N1CC=C(c2ccc(O)cc2)CC1 174674775 SRLLOSQDWAFTDQ-UHFFFAOYSA-N 294.329 3.697 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(C#N)c(Cl)c2)o1 175273595 OMRXNWJKWZCVGD-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CC(C)C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 175820522 LVXIEBGNXJMRKY-UHFFFAOYSA-N 281.311 3.912 30 20 CHED C=CCCCC(=O)N1c2ccccc2SC[C@@H]1C 176639722 TWQQSBRYOVCHTR-LBPRGKRZSA-N 261.390 3.870 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1(c2cccc(F)c2)CC1 178634356 SMJSKJPCAFGYDC-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1c1cccc(F)c1 179795920 QVZAYXJKNQZVJR-MRXNPFEDSA-N 273.351 3.683 30 20 CHED CCc1oc2ccccc2c1C(=O)O[C@@H]1CC[C@H](C#N)C1 179952310 NJKYGSYYTAHIMJ-NWDGAFQWSA-N 283.327 3.844 30 20 CHED N#Cc1cccc(C(=O)Nc2cncc(Cl)c2Cl)c1 180105031 QPIWLPGIMYSRNY-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCC[C@H](SC)C1 181117423 ZIUSPCIKMPLPJP-KGLIPLIRSA-N 284.469 3.658 30 20 CHED COC[C@@H](C#N)N[C@@H](CC1CCCCC1)c1ccccc1 181331478 CECWMRRUJJJRRF-MSOLQXFVSA-N 286.419 3.826 30 20 CHED CCn1cc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cn1 181578340 UOFPFWJLCKKLPT-RHSMWYFYSA-N 282.391 3.599 30 20 CHED C[C@H](NCCCNc1ccccc1)c1ccc(C#N)cc1 181773512 SYBFLCZAOPFVQQ-HNNXBMFYSA-N 279.387 3.711 30 20 CHED CC[C@H](NCc1ccccc1C(C)(C)C#N)[C@@H]1CCCO1 182382234 FKSKBTKXYYVQCN-IRXDYDNUSA-N 286.419 3.535 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)CCCOC 182854328 HLGYXEPIYOMJBG-HNNXBMFYSA-N 281.440 3.644 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 184910591 MCWMNJIWWWFEHH-LLVKDONJSA-N 297.320 3.932 30 20 CHED C=C(C)[C@@H](NC(=O)c1ccc(C)o1)c1ccc(F)c(F)c1 186055625 OJGPVPYIXPNDGI-OAHLLOKOSA-N 291.297 3.913 30 20 CHED C=C(C)[C@@H](N[C@H]1CCN(C)[C@@H](C)C1)c1ccc(F)c(F)c1 186450950 CZBVJZVBPVHICV-RVSPLBMKSA-N 294.389 3.654 30 20 CHED Cn1cccc1[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N 187193529 GRCAOUHMISKBRR-KRWDZBQOSA-N 299.805 3.887 30 20 CHED C=C(C)[C@H](NCC[C@H]1CCCN1C)c1ccc(F)c(F)c1 187773721 UBGVSQNANALHOA-PBHICJAKSA-N 294.389 3.656 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(CCO)cc1)c1ccccc1 190213766 WAVDOOKJUNQMFA-SFHVURJKSA-N 295.382 3.520 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2ccc(OCC)cc2C1 191206986 PRORCHRKLJYCAU-GOSISDBHSA-N 287.403 3.572 30 20 CHED CCCCCCCCCNC(=O)NCc1nccs1 194352988 XFOIFNANIAILSU-UHFFFAOYSA-N 283.441 3.693 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@H]1c1cc(C)ccc1C 195688800 BBCSMJORRHTEBY-GOSISDBHSA-N 290.366 3.503 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C\c1cccnc1 213111210 OGJGGRLLLKKFBT-XQRVVYSFSA-N 273.719 3.640 30 20 CHED C#CCCCN[C@@H](CC)c1ccc(Br)cc1 230185929 NXLOTQVHYVIEQR-AWEZNQCLSA-N 280.209 3.903 30 20 CHED CC1CCC(CNc2nc(Cl)c(C#N)s2)CC1 232827603 JGPKXUHCQFUCCL-UHFFFAOYSA-N 269.801 3.906 30 20 CHED CCCCCCCC(=O)Nc1ccc(CNC)cc1 232932025 XYKDUFJGJJENAK-UHFFFAOYSA-N 262.397 3.705 30 20 CHED C[C@H](Nc1nccc(C#N)c1Cl)c1ccc(C#N)cc1 235538721 VYFGSCGJWYHQAW-JTQLQIEISA-N 282.734 3.651 30 20 CHED COc1cc(CNc2cccc(C#N)c2)ccc1OC(C)C 237276983 UNOITYNOAWELEF-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)C[C@@H](c2ccsc2)O1 246396068 ILQBZKXXBONNSL-ZFWWWQNUSA-N 292.448 3.840 30 20 CHED Cc1cc(C)cc(N/C(N)=N\[C@H]2c3ccccc3O[C@H]2C)c1 262273878 JBJSHSSIXUTHQA-SUMWQHHRSA-N 295.386 3.552 30 20 CHED Cc1cccc2cc(C(=O)N(CCC#N)CC3CC3)oc12 264009418 AJHIGPUEQJXZLQ-UHFFFAOYSA-N 282.343 3.507 30 20 CHED N#Cc1ccc(CNC2CC(c3ccccc3)C2)s1 267217788 SBYMPZLFHOVJGQ-UHFFFAOYSA-N 268.385 3.656 30 20 CHED C=CCOc1ccc(CN(C)Cc2ccon2)cc1Cl 271166123 CMMWPOOVKIZECA-UHFFFAOYSA-N 292.766 3.525 30 20 CHED Cc1csc([C@@H](C)CNc2ccc(C#N)cc2F)n1 273383950 ZFEWJRLZYOWSKR-VIFPVBQESA-N 275.352 3.678 30 20 CHED N#CC1(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CCC1 273754982 RVEBKDDKDXLZDE-UHFFFAOYSA-N 293.248 3.701 30 20 CHED C=CCN(C(=O)NCc1c(C)oc2ccccc12)C1CC1 274368671 PHKOZFIZNWBZKA-UHFFFAOYSA-N 284.359 3.601 30 20 CHED CN(CCCCC#N)[C@]1(c2ccccc2)CCCCC1=O 276260415 AXWZZAUBRPMQLZ-SFHVURJKSA-N 284.403 3.651 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 276364031 JIUBLMYHOSQJDK-AWEZNQCLSA-N 297.398 3.986 30 20 CHED CC[C@@H](NCc1ccsc1)c1ccc(C#N)cc1 278276872 PQOXANOUAUWQRQ-OAHLLOKOSA-N 256.374 3.861 30 20 CHED Cc1ccsc1-c1nnc(S[C@H]2CC[C@@H](C#N)C2)o1 278524008 HAJWUKOOWJBSJE-ZJUUUORDSA-N 291.401 3.891 30 20 CHED C#CC(C)(C)N(C)Cc1ccc(OCc2ccccn2)cc1 279207189 GRGORWVDBVDBPH-UHFFFAOYSA-N 294.398 3.504 30 20 CHED Cc1cc(C)cc(NCCCC2(C#N)CCOCC2)c1 280944572 FXTQJHZUCFNGMS-UHFFFAOYSA-N 272.392 3.816 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 285790918 CSEAEONAPFFQCS-XNRPHZJLSA-N 290.794 3.642 30 20 CHED C[C@H](CCOCc1ccccc1)N[C@H]1CCC[C@@H](C#N)C1 286997057 JWMGSKLRXPVWEE-NXHRZFHOSA-N 286.419 3.654 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(-c2ccccc2OCC#N)n1 289171679 OTPLVGNXFSBZSZ-STQMWFEESA-N 297.358 3.933 30 20 CHED C#Cc1ccccc1Cc1nc([C@@H]2CCCCS2)no1 289755740 JUTRELNYRLAZQI-AWEZNQCLSA-N 284.384 3.600 30 20 CHED C=C(Cl)CN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 292031324 DJVPKXMYPUMZJQ-SWLSCSKDSA-N 283.774 3.636 30 20 CHED Cc1nc(N[C@H]2CCO[C@@H](C(C)C)C2)c(Cl)cc1C#N 292782938 XMAHKTJZGYTONU-GXTWGEPZSA-N 293.798 3.531 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(CC)c(Cl)c1 296882106 CINUOSVYYXCGRF-UHFFFAOYSA-N 291.782 3.836 30 20 CHED Cc1ccc(OC(=O)[C@]2(C#N)CC23CCCC3)cc1F 298561998 GIVSUTYRTFJUCC-MRXNPFEDSA-N 273.307 3.514 30 20 CHED N#Cc1cccc(Cl)c1N1CCc2sccc2C1 301162072 CJFOAGWGOJCMJZ-UHFFFAOYSA-N 274.776 3.836 30 20 CHED Cc1ccc(C(C)(C)CNc2ncccc2C#N)cc1 301187838 KMBOVDAHWMXKLK-UHFFFAOYSA-N 265.360 3.651 30 20 CHED Cc1cc(F)cc2c(NC3CCCC3)c(C#N)cnc12 301361356 QIBIOTBERITSLM-UHFFFAOYSA-N 269.323 3.909 30 20 CHED C[C@H](Nc1cccc(C#N)n1)[C@H](C)c1ccccc1 301480898 RZNIDARCLVVSQG-STQMWFEESA-N 251.333 3.557 30 20 CHED C[C@@]1(CNc2ccc(Cl)cc2C#N)CCCC[C@@H]1O 301485257 HBDITAQMTSXWLX-GJZGRUSLSA-N 278.783 3.565 30 20 CHED C=CCOc1ccccc1CNc1nc(C(C)C)ns1 301543177 WBNUIPSNQPIOSN-UHFFFAOYSA-N 289.404 3.838 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H](C)Cc2cccs2)cc1 304793895 LTCFUWRVYGATOF-ZDUSSCGKSA-N 287.432 3.662 30 20 CHED Cc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(F)c1 308069409 ATPMKRSZXOFJOP-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1c(Cl)cccc1NC[C@@H]1CC1(Cl)Cl 309523397 AFLFEVWXPFZVQS-ZETCQYMHSA-N 275.566 3.817 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCCC(F)(F)C1 311149174 OWUPGJCJVCWHAJ-SNVBAGLBSA-N 268.282 3.935 30 20 CHED N#Cc1cccc(NC(=O)c2cc(F)ccc2Cl)c1 311884055 YWHBJGFXSKBOLF-UHFFFAOYSA-N 274.682 3.603 30 20 CHED OC1=NC2(CCC2)[C@H](/N=C(/O)c2cccc3c2CCC3)CC1 328727903 DMUFDDLWBXWWFQ-OAHLLOKOSA-N 298.386 3.522 30 20 CHED Cc1nc(N=C(O)[C@@H]2CC[C@H](C)C2)nc2c1CCCC2 329606536 IBMOQKHKXMOAAZ-CMPLNLGQSA-N 273.380 3.688 30 20 CHED CSc1cccc(N/C(O)=N/C[C@@]2(C)CCCO2)c1C 330711852 VHGCVCIFQONYEK-OAHLLOKOSA-N 294.420 3.612 30 20 CHED CC[C@H](C)c1nc([C@@H](C)/N=C(/O)c2cc(C)oc2C)n[nH]1 331118327 FMMUAUMARMAGIX-WCBMZHEXSA-N 290.367 3.594 30 20 CHED CN(C(=O)NCC1(C#N)CCC1)[C@@H]1CCC[C@@H]1C(C)(C)C 331577016 ZJFDLKQTYHGUGJ-UONOGXRCSA-N 291.439 3.536 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)cc2)n1 331670013 NSRGFQKRGAMPAY-RISCZKNCSA-N 267.332 3.902 30 20 CHED N#C[C@]1(C(=O)NCCC2=CCCCCC2)CC12CCCC2 333649818 DWTYHHRSAPIEDQ-SFHVURJKSA-N 286.419 3.857 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 335558628 IXIHYLDXOHEGAE-DZGCQCFKSA-N 257.377 3.808 30 20 CHED C[C@@H](CC1CC1)N[C@@H]1CCCc2cc(C#N)ccc21 341716967 ZNWKXLQDDAKOTP-YVEFUNNKSA-N 254.377 3.714 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCSc2c(Cl)cccc21 341871325 DFECFLWNYPHHKC-FZMZJTMJSA-N 297.851 3.651 30 20 CHED COCCCCCSCc1ccc(CC#N)cc1 342572391 VCOBGJOCKWBUJD-UHFFFAOYSA-N 263.406 3.803 30 20 CHED COc1cc(Cl)ccc1CNc1nccc(C)c1C#N 343482317 WBZAMKBCQVRFIA-UHFFFAOYSA-N 287.750 3.536 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(OC(F)F)c(F)c1 351625399 XVGDSNHKNIKUGZ-NSHDSACASA-N 299.292 3.608 30 20 CHED C=CCN(C)Cc1nc(-c2ccc(C)cc2)cs1 351824687 SBOGUWBWFIVXMO-UHFFFAOYSA-N 258.390 3.736 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1CCCSC1)c1ccccc1 355173909 YOBZNBQYEQAVDO-CVEARBPZSA-N 289.444 3.953 30 20 CHED CCCOc1ccc(CNc2ccccc2C#N)cc1OC 356742343 LEFPARAWVNDPOO-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CC#CCCCC(=O)N[C@H]1CCCc2ccc(F)cc21 357462075 BHKYHVJYVBYBHQ-INIZCTEOSA-N 273.351 3.513 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(-c2ncco2)c1C 359145385 UVNJDVFPYHPGRQ-MRXNPFEDSA-N 283.331 3.528 30 20 CHED N#CCc1ccc(NC(=O)c2cccc3cnccc23)cc1 362559647 DBORIYUHOFXJDK-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C[C@H]1CCCC[C@@H]1CN1CCC(C#N)(c2ccccn2)CC1 370532808 FDGSNQQRNGQCQW-DLBZAZTESA-N 297.446 3.765 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1cc(Cl)ccc1Cl 384218273 RJHRPZRATFOAGM-ZDUSSCGKSA-N 270.159 3.525 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@@H](c1ccccc1)C(C)C 410829239 QEEKKVNSKMSVIV-IAGOWNOFSA-N 286.419 3.967 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)CCC#N 411722501 VCUAEUHAPDADNF-HNNXBMFYSA-N 274.412 3.534 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1ccc(OC)c(OC)c1 414164574 KIURZHLUKZDKGI-CQSZACIVSA-N 290.407 3.684 30 20 CHED N#CC1(CC[S@@](=O)c2ccc(F)cc2)CCCCC1 414235310 UFODYFQPQWOTQY-LJQANCHMSA-N 279.380 3.797 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1)CCN2 415856936 GNWDYARGKYAMMX-GFCCVEGCSA-N 273.380 3.521 30 20 CHED CC[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)[C@H]1CC1(C)C 416066708 BPXIRAQOMJWTOV-WQVCFCJDSA-N 284.403 3.603 30 20 CHED CCCCCC(=O)Nc1cccc(C#N)c1Br 416080581 OYHFIOPOTSMSQI-UHFFFAOYSA-N 295.180 3.840 30 20 CHED CSc1cc(NC(=O)N(C)C[C@@H](C)C#N)ccc1Cl 417296559 QMPWGUQQICXKKU-VIFPVBQESA-N 297.811 3.685 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc(C#N)s1 421602243 RPEHMYRRFGZCGE-ZDUSSCGKSA-N 298.411 3.738 30 20 CHED CC(C)CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 424189351 DICWLLWAEKELEK-DLBZAZTESA-N 286.419 3.893 30 20 CHED CC(C)[C@@H](COCc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 424330482 QSLWPLSNLXEVLK-RCCFBDPRSA-N 286.419 3.510 30 20 CHED C=C(C)C(C)(C)c1nc(CC2CC(F)(F)C2)no1 424361023 KYHHOLQNHVIRKK-UHFFFAOYSA-N 256.296 3.511 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(-c2ncc[nH]2)ccc1C 424812438 NNBWYPPEQNGUCT-UHFFFAOYSA-N 283.375 3.926 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CCCC[C@@H]1C 425560689 MAGVMDIJTQOYLI-KBPBESRZSA-N 264.413 3.744 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC1(C)Cc2ccccc2C1 426205081 JMUYRIIOZDDUJY-QGZVFWFLSA-N 298.430 3.542 30 20 CHED C=CCC(C)(C)c1nc(COc2ccc(F)cc2)no1 426417398 ARFWCPZYWOHQSE-UHFFFAOYSA-N 276.311 3.641 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc([C@H]2CCCO2)s1 426572184 ZLRJEPUKAHMYJU-TZMCWYRMSA-N 278.421 3.535 30 20 CHED Cc1cc(N(C)CC(C)(C)C#N)c2cccc(F)c2n1 432154251 BIJFHXFSECDHDF-UHFFFAOYSA-N 271.339 3.668 30 20 CHED CCc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)sc1C 434024264 WEMGOSNCMOBCAR-CQSZACIVSA-N 290.432 3.773 30 20 CHED C=CCC[C@@H](NC(=O)c1cccnc1OC)c1ccccc1 435290609 KZJGGPSYHLJZMN-MRXNPFEDSA-N 296.370 3.528 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccccc1Cl 435667975 SDYQQNFIAHUYBM-XEZPLFJOSA-N 279.811 3.972 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC(C)(C)c2ccccc21 436284950 NDDRJELXCYWFKV-OLMNPRSZSA-N 285.431 3.980 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H](c3ccccc3F)C2)C1 442876308 VCSIRIMDQWIOME-APIJFGDWSA-N 272.367 3.744 30 20 CHED CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(C)c2)C12CCCC2 443993290 KYNPLJITDPXZPS-QZTJIDSGSA-N 298.430 3.694 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(C#N)s1 444448111 NEICPHZQIKUOBD-UHFFFAOYSA-N 281.340 3.662 30 20 CHED C=CC[C@@H]1N(CCc2cccnc2)CCCC1(C)C 444778966 KGEQVGXJWCXBDF-INIZCTEOSA-N 258.409 3.691 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1cccc(C)c1Cl 447776679 JLYCHQDMRCJSLQ-ZDUSSCGKSA-N 295.810 3.840 30 20 CHED N#Cc1ccc(NCc2ccc(-c3ccco3)cc2F)cn1 447817286 PLZHICAQTXMJJP-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=CCC1(C(=O)NCCOC2CCCCC2)CCCC1 449798132 PCOKXSVWHUEIMQ-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3c(O)cccc32)CCCC1 449839120 AORPIMRLYHBEHJ-HNNXBMFYSA-N 285.387 3.632 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)n(C(C)C)n1 449916752 RRIYDSLPQTVWCW-UHFFFAOYSA-N 277.412 3.591 30 20 CHED C=C(C)CN(CCCC(=O)CC)Cc1cnn(C(C)C)c1 450980209 DKSSQFVESLOWIW-UHFFFAOYSA-N 291.439 3.601 30 20 CHED C[C@H](CCCc1cccnc1)NCc1ccc(C#N)cc1F 453104529 UOKFRRNXSNUYCI-CQSZACIVSA-N 297.377 3.593 30 20 CHED C=CCC[C@H](Nc1cccc(CCO)c1)c1ccco1 453421373 WNXKVCVESDDDSZ-INIZCTEOSA-N 271.360 3.934 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H](CC)C(F)F)c1 454664748 GUBNHMPGNSXSAK-CYBMUJFWSA-N 298.333 3.807 30 20 CHED C=C(C)CCNC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 455311299 NQVICYFAVYRAIH-RYUDHWBXSA-N 292.345 3.621 30 20 CHED C=CCC1(NC(=O)[C@H]2CCC(F)(F)C2)CCCCC1 456362427 HEOPJNCZXTXAMB-LBPRGKRZSA-N 271.351 3.817 30 20 CHED C=C(CC)CNC(=O)C[C@H](c1ccccc1)C(F)(F)F 456833343 ZSUHYUYSUASTIW-CYBMUJFWSA-N 285.309 3.805 30 20 CHED C=CCN(C(=O)Nc1ccc(OC)c(SC)c1)C1CC1 459762455 KGFISKWXTYPXIF-UHFFFAOYSA-N 292.404 3.599 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(CC)C1CCCC1 460775759 AJUGRNFTYZFVHV-UHFFFAOYSA-N 276.428 3.747 30 20 CHED Cc1nc(N2CCCC[C@H](C)C2)c(Cl)cc1C#N 461939870 YOEQBIJNKWGOSJ-JTQLQIEISA-N 263.772 3.542 30 20 CHED C=C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 465113114 XLEFJICXZZEZTD-VUCTXSBTSA-N 265.356 3.634 30 20 CHED C=CCCN(C)C(=O)c1cc2ccccc2n1CCC 469879935 HNHUTNIABGEXOU-UHFFFAOYSA-N 270.376 3.699 30 20 CHED C=CCCCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 471665724 DNMQAUHXEUXSGZ-UHFFFAOYSA-N 295.810 3.970 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C)CC2(C)C)cc1 471709821 UKZRHLNRTJTEOE-CYBMUJFWSA-N 273.376 3.512 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2ccccc2C)CCC1 472137258 WZALRGXYLYUTBY-UHFFFAOYSA-N 271.404 3.841 30 20 CHED Cc1ccnc(NCc2cccc(C(C)C)c2)c1C#N 475739643 NNNBYUVOCOMGFT-UHFFFAOYSA-N 265.360 3.997 30 20 CHED C=C(C)CN(CC)C(=O)C1(Cc2cccc(F)c2)CCC1 476431039 RRMTURKTCLRLFQ-UHFFFAOYSA-N 289.394 3.963 30 20 CHED C=CCCCC(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl 479598918 MVTAJRLPVNTGNQ-MFKMUULPSA-N 281.758 3.808 30 20 CHED CCCN(CCC)Cc1ccc(C#N)cc1Br 480719072 RBJDHNPLCQZTTA-UHFFFAOYSA-N 295.224 3.943 30 20 CHED N#Cc1ccc(Sc2ccc(Cl)c(C#N)n2)cc1 486929016 WIQQTEANHUXRSR-UHFFFAOYSA-N 271.732 3.630 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)s1 487332630 IFACAIGVRBLOGU-JSGCOSHPSA-N 290.432 3.954 30 20 CHED N#Cc1cccc(NC[C@H]2CCCCC(F)(F)C2)n1 488436041 BQJSQZXKVXVHOV-NSHDSACASA-N 265.307 3.581 30 20 CHED CC1(C)CN(c2nccc(C#N)c2Cl)[C@@H]1c1cccnc1 488498237 CCOWMWUSPKIEMY-CQSZACIVSA-N 298.777 3.589 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cnc2c(c1)CCCC2 488526709 AYGCCXAIZPZZBO-OAHLLOKOSA-N 285.391 3.533 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)n(C(CC)CC)n1 488824964 AATSUHFDFMRJTF-HNNXBMFYSA-N 289.423 3.733 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H](C(C)(C)C)CC1 488949688 TURDFNHNSVFBOU-OAHLLOKOSA-N 288.435 3.963 30 20 CHED CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)c(C)c1 488995923 WFOFYUKGVHLWGO-SFHVURJKSA-N 286.419 3.648 30 20 CHED CCC(CC)CN(CCC#N)c1nc(C(C)(C)C)ns1 489405703 OMHYBJOYFOYINW-UHFFFAOYSA-N 294.468 3.992 30 20 CHED CCN(CCc1cccs1)Cc1ccc(F)cc1C#N 489626017 WIOWJNSVZODSQD-UHFFFAOYSA-N 288.391 3.823 30 20 CHED C=CCCCS(=O)(=O)N1C[C@H](C(C)C)c2ccccc21 489823280 UYBXDJCHYJUHDA-OAHLLOKOSA-N 293.432 3.542 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(O)c2ccccc2c1 489828979 YZULJNAIUXGYNU-UHFFFAOYSA-N 283.371 3.878 30 20 CHED C=CCN(C)C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 490039916 WIBBCTHNPWAIMZ-CQSZACIVSA-N 275.392 3.530 30 20 CHED C=CCCCCNC(=O)N1CC2(CCC2)[C@@H]1C(C)C 490204935 VVXYOWDTIUMHBQ-AWEZNQCLSA-N 264.413 3.563 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 495617403 GPEGLRBJMAVMNG-ZDUSSCGKSA-N 275.392 3.904 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](C)C(C)C)c1 498086552 VLGJCYJDSUSGKO-CYBMUJFWSA-N 261.365 3.872 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc2c(c1)CCCC2 498957736 QYSOWDFTTQICAZ-UHFFFAOYSA-N 258.365 3.501 30 20 CHED COc1ccccc1CCCOc1cccc(C#N)c1 503276059 QJWZHDCNJQBZTD-UHFFFAOYSA-N 267.328 3.578 30 20 CHED C=C(C)CCSc1n[nH]c(=NCc2ccccc2)s1 505427365 LZHSRQBLFBLTDL-UHFFFAOYSA-N 291.445 3.630 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](C)C(C)(F)F)CCCC1(C)C 508073009 IFSHSPXOJQJINF-NWDGAFQWSA-N 273.367 3.871 30 20 CHED C=C(C)CCc1noc(-c2cccc3cc[nH]c23)n1 508597015 AQKRBBQDCLWVOZ-UHFFFAOYSA-N 253.305 3.727 30 20 CHED C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(CC#N)cc1 518183395 YZRWSWDYEOUCPI-LBPRGKRZSA-N 299.399 3.567 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CC)Cc1ccc(Cl)cc1 523940149 XUHSFAVHFNNUMF-IUODEOHRSA-N 294.826 3.925 30 20 CHED N#Cc1ccc(C(=O)NC2CCC3(CCCCC3)CC2)nc1 527053601 AXDMVFVPTBUBMT-UHFFFAOYSA-N 297.402 3.576 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@@H](C)c1ccco1 528822324 DBSWQOGJFXZUKR-GFCCVEGCSA-N 297.358 3.715 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 535124677 HBCJORKINQZKNJ-HRCADAONSA-N 261.409 3.794 30 20 CHED N#Cc1cc(C(=O)Nc2ccsc2)ccc1Cl 537166605 RNBHPSQIECNMGT-UHFFFAOYSA-N 262.721 3.525 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1)Oc1ccccc1 537299272 DLWGZXJDNUPIHV-UHFFFAOYSA-N 280.371 3.505 30 20 CHED Cc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 539608671 YARADOOOLBYVOO-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 540069781 JIKLGUXAFBSTHI-CVEARBPZSA-N 296.455 3.578 30 20 CHED C=CCN(C(=O)N[C@H]1CCC(C)(C)C[C@H]1C)C1CC1 540127572 NICQSDAWOMGZGW-OCCSQVGLSA-N 264.413 3.561 30 20 CHED C=CCOc1ccc(CN(C)CCc2ccccc2O)cc1 543410707 USVYFODREMORMT-UHFFFAOYSA-N 297.398 3.632 30 20 CHED C=CCCCC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 552718805 ZPWFUUNARDKNLZ-UHFFFAOYSA-N 297.345 3.595 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCOC1CCCCCC1)CC2 558492658 FSYZRONQSVARAG-LJQANCHMSA-N 298.430 3.875 30 20 CHED CC(C)Oc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1C#N 560194414 RTCWOFFWJATCPA-WWGRRREGSA-N 298.386 3.720 30 20 CHED C[C@H]1CC[C@H](CNC2CCN(c3ccc(C#N)cc3)CC2)C1 560545792 WPYQFDUPXFNSRA-RDJZCZTQSA-N 297.446 3.553 30 20 CHED Cc1ncncc1[C@H](C)Nc1cccc(OCCCC#N)c1 565213524 BEJLKJSFHYECSJ-AWEZNQCLSA-N 296.374 3.641 30 20 CHED C=CCCCCN[C@H](C)c1cncc(Br)c1 568276631 NUGAWDZEQYRIPP-LLVKDONJSA-N 283.213 3.851 30 20 CHED C=C[C@@H](Cc1nc(-c2ncoc2C)no1)c1ccccc1 569432219 QYUDJOUSBZKYQL-LBPRGKRZSA-N 281.315 3.545 30 20 CHED N#CC1(COc2ccc(Oc3ccccc3)nc2)CCC1 574862269 PPZSDHWDJJOLFU-UHFFFAOYSA-N 280.327 3.947 30 20 CHED C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(C)=C(C)C1 576862211 GWQHWOGBBULOTM-UHFFFAOYSA-N 298.390 3.579 30 20 CHED CC[C@@H](NCc1nnc(C2CC2)s1)c1ccc(C#N)cc1 579448295 GOJHEUKCGJWTOT-CQSZACIVSA-N 298.415 3.528 30 20 CHED C=CCC1(c2nc(Cc3cc(C)on3)no2)CCCCC1 580621114 AIYWSWAGRJDPDG-UHFFFAOYSA-N 287.363 3.735 30 20 CHED C=CCC1(c2nc(-c3cccc(F)c3)no2)CCC1 582750439 QBLZOBSOMKRREE-UHFFFAOYSA-N 258.296 3.874 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 584734577 BKWZHVXUINMWMC-OAHLLOKOSA-N 273.420 3.953 30 20 CHED C=CC(C)(C)CNC(=O)c1c(Cl)cc(C#N)cc1Cl 590870847 FKSYLOUDFLLKEP-UHFFFAOYSA-N 297.185 3.807 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1CC[C@H](C#N)C1 592639565 VEFJXFLINHSQHG-QLFBSQMISA-N 262.397 3.567 30 20 CHED Cc1cc(-c2ccc(C#N)cc2)cc(C)c1N1CCCC1=O 593955362 YWNMHFBPAWODHO-UHFFFAOYSA-N 290.366 3.969 30 20 CHED CCCc1sc(C(=O)N(C)[C@H](C#N)CC)cc1CC 594097234 HGWBNIYOGVRBHZ-LBPRGKRZSA-N 278.421 3.637 30 20 CHED Cc1cccc([C@H](C)NCCc2ccc(C#N)cc2)c1 594708844 CEGLZHDYEVLBOB-HNNXBMFYSA-N 264.372 3.760 30 20 CHED C[C@H](NCCCCC#N)c1cc2ccncc2s1 595009904 DWMGDRBCZPFZDN-NSHDSACASA-N 259.378 3.641 30 20 CHED CCCCN(C)CC1CCN([C@H](C#N)c2ccccc2)CC1 595293944 VGWRXIQPFFAQQA-LJQANCHMSA-N 299.462 3.695 30 20 CHED N#CCCN(CCC#N)CCSc1cccc(Cl)c1 595396216 PKRCPKZTEOSEPA-UHFFFAOYSA-N 293.823 3.561 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@@H]1c1ccc(F)cc1 595700656 CYNOKHKTESHQQY-QGZVFWFLSA-N 296.345 3.653 30 20 CHED C[C@@H](C#N)N(CCn1ccc2cc(Cl)ccc21)C1CC1 595709997 LLCTXFMRIAPHRI-LBPRGKRZSA-N 287.794 3.671 30 20 CHED C[C@@H](C#N)N(Cc1ccc(Cl)cc1Cl)C1CC1 595711305 XWYMRZASAUCBPQ-VIFPVBQESA-N 269.175 3.870 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 596793889 QJVROAWXZWPRHF-JTQLQIEISA-N 295.745 3.637 30 20 CHED N#Cc1c(NC(=O)CCCF)sc2c1CCCCC2 598802355 WMVRVVBKZXVBGV-UHFFFAOYSA-N 280.368 3.577 30 20 CHED Cc1ccc2sc(CN3CCC[C@@](C)(C#N)C3)nc2c1 599361538 IVHXDFUBQUDERL-INIZCTEOSA-N 285.416 3.730 30 20 CHED C[C@@H](CCC#N)CN1CC=C(c2ccc(F)cc2)CC1 602430132 LAGPGCHIAMRRHH-AWEZNQCLSA-N 272.367 3.855 30 20 CHED C[C@@H](CCC#N)CNc1cccc(OCC(F)(F)F)c1 602491176 HHAOQLFNXSIJAT-NSHDSACASA-N 286.297 3.979 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1ccc(C)cc1F 606902288 VSCKKFXMGHVXGU-UHFFFAOYSA-N 292.398 3.751 30 20 CHED C=CCCCCCN(C)Cc1nc(O)c2ccccc2n1 606902292 XZINFKRGJBKFHU-UHFFFAOYSA-N 285.391 3.514 30 20 CHED N#CCn1c(C(=O)Nc2ccccc2F)cc2ccccc21 609159307 IPUGKPKFNRRGMZ-UHFFFAOYSA-N 293.301 3.556 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cccc3ccccc23)C1 612159029 QGYUJYZIMIFNMF-SFHVURJKSA-N 264.372 3.965 30 20 CHED CCc1cc(C)nc(N(CCC#N)CC(CC)CC)n1 613282223 LUEVXIBRAPPXPM-UHFFFAOYSA-N 274.412 3.504 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]1C(C)(C)C 614397249 GCNXBKPDKSFMJL-INIZCTEOSA-N 256.393 3.877 30 20 CHED CCC(C)(C)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 619593929 OFOTYXGAQSKWNY-OAHLLOKOSA-N 287.407 3.861 30 20 CHED CC(C)(C)CCNCc1ccc(C#N)c(Cl)c1 619847232 CVHDWMQRGAQKPU-UHFFFAOYSA-N 250.773 3.737 30 20 CHED C=CCCOCC(=O)Nc1ccc(CCC(C)C)cc1 621035647 RSWDTLQHMJWQAW-UHFFFAOYSA-N 275.392 3.806 30 20 CHED C=C(C)CCNC(=O)c1ccc(-c2csc(C)n2)s1 633308655 YVCNOKLYQJVTGC-UHFFFAOYSA-N 292.429 3.876 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2sc(C)cc2C)n1 633894549 MFNGENUCOJZDFH-SNVBAGLBSA-N 276.386 3.620 30 20 CHED CC(C)C(=O)Nc1cccc(C#Cc2cccs2)c1 637315076 YWKHXMQRVYPPGS-UHFFFAOYSA-N 269.369 3.742 30 20 CHED CC#CCN(C)C(=O)c1cccc(N[C@H](C)C(C)C)c1C 647541458 UFKJQXDERXGGQT-OAHLLOKOSA-N 286.419 3.547 30 20 CHED C=CCC(C)(C)c1nc([C@H]2CCOC(C)(C)C2)no1 651438565 GDPWWNKLQHAGSL-NSHDSACASA-N 264.369 3.596 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2ncc(C)s2)C1 660810595 NXKYNWAPNAFQHI-STQMWFEESA-N 293.436 3.510 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc3ccccc3nc2C)C1 661377612 QKZOCVRURZRRHW-OAHLLOKOSA-N 281.403 3.726 30 20 CHED C=CCCNC(=O)N1CCC(c2ccc(F)cc2C)CC1 661568895 AXIGJHYPHSEXQB-UHFFFAOYSA-N 290.382 3.599 30 20 CHED C=CCC1(NC(=O)Nc2cccc(C(C)=O)c2)CCCC1 664403442 NLLMJBGUPNVBOV-UHFFFAOYSA-N 286.375 3.900 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCn1cnc2ccccc21 678894327 AXQYJQKKWIBHHD-HNNXBMFYSA-N 299.418 3.678 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)CC(F)(F)F 682023557 PZHQAFRLWSOJLW-UHFFFAOYSA-N 263.303 3.602 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2C#N)c1 695723603 HZJNMCMXVVAGFY-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 717675376 MQBFBSNGUPITPE-UHFFFAOYSA-N 296.754 3.723 30 20 CHED C=CCN(C(=O)N[C@H]1CCc2ccc(C)cc21)C(C)C 730131406 MDCIEUDQCSJUDE-INIZCTEOSA-N 272.392 3.588 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cccc(OCC#N)c1 733749348 KOTKEAXHXQFWKV-AATRIKPKSA-N 283.352 3.855 30 20 CHED C=CCCCOC(=O)CCc1ccc(OC(F)F)cc1 735529867 OUVAVPNCMXLICO-UHFFFAOYSA-N 284.302 3.730 30 20 CHED CCCCCCCN1CCCN(c2nccs2)CC1 740876183 PUASFBJIYHROAK-UHFFFAOYSA-N 281.469 3.626 30 20 CHED COCc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1 741842048 DHLOAGNWDFJJMU-LZYBPNLTSA-N 284.286 3.588 30 20 CHED C#CCOc1cc(F)ccc1NCc1cccs1 742376134 MYSYEUMRCUASFZ-UHFFFAOYSA-N 261.321 3.511 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1ccccc1)C2=O 742438400 WWKWDJPYRLBMCT-YBEGLDIGSA-N 259.308 3.771 30 20 CHED COc1ccc(O)c(C=Nc2ccc(-c3cnc[nH]3)cc2)c1 743334096 LYUDRANEGUDCSJ-UHFFFAOYSA-N 293.326 3.542 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Oc1ccc(Cl)cc1C 744304796 DOAYPXVDAHKYJT-LBPRGKRZSA-N 282.767 3.925 30 20 CHED C=C(C)CCOC(=O)c1c(-c2ccccc2)noc1C 744305325 YLLUNOGDQWRXOB-UHFFFAOYSA-N 271.316 3.773 30 20 CHED C#CC[C@H](OC(=O)Cc1c[nH]c2c(C)cccc12)C(C)C 747193280 YSRGTAJTDKRXSD-INIZCTEOSA-N 283.371 3.610 30 20 CHED C=CCNC(=S)N[C@H](c1ccc(CC)cc1)C(C)C 747755672 QJYVFCQATMMJSK-HNNXBMFYSA-N 276.449 3.596 30 20 CHED CCOc1ccccc1Oc1ccccc1C(=O)OCC#N 748913885 QWAMZFHTNQSXEL-UHFFFAOYSA-N 297.310 3.558 30 20 CHED Cc1cc(F)ccc1/C=C1/Oc2ccc(F)cc2C1=O 750911066 XCTVEJVUQOXUBQ-VIZOYTHASA-N 272.250 3.889 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1cc2ccc(C)cc2o1 754830024 OTVWATRYMYTHEY-BQYQJAHWSA-N 294.354 3.933 30 20 CHED CCCCCCCCNC(=O)c1cnn(C(C)(C)C)c1 754843446 WYCQIYAVWGHIOS-UHFFFAOYSA-N 279.428 3.728 30 20 CHED CCCCCCCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 754869314 VIUMINPTUVJCTE-UAGQMJEPSA-N 293.451 3.811 30 20 CHED C(=NNCCCOc1ccccc1)[C@@H]1CCc2ccccc21 755696442 NOPSBIAHMMLXJK-KRWDZBQOSA-N 294.398 3.761 30 20 CHED FC(F)(F)c1cccc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)n1 755740624 UAWAICQGWGYQJL-DCAQKATOSA-N 281.281 3.710 30 20 CHED C#CC[C@H](NCC1=Cc2ccccc2OC1)c1ccccc1 756995946 NAMGDRHONCUYDL-IBGZPJMESA-N 289.378 3.817 30 20 CHED N#Cc1ccc(COC(=O)c2cccc3[nH]ccc23)c(F)c1 757049878 WQWVLAYFJWFLNH-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C#CC[C@@H](NC(=O)N(CCC)CC(C)C)c1ccccc1 757759446 COTOAVPGHMGMNJ-QGZVFWFLSA-N 286.419 3.829 30 20 CHED C[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)c1cccs1 758953522 NJDIPUIKCVKUKA-SNVBAGLBSA-N 289.331 3.606 30 20 CHED C#Cc1cccc(NC(=S)NCC2(CC)CCCC2)c1 760279299 KKTHPWUMTMMUND-UHFFFAOYSA-N 286.444 3.925 30 20 CHED C=C(C)COC(=O)[C@H](C)Sc1nc2ccccc2s1 762905295 DRPXDMWBCDSJHL-JTQLQIEISA-N 293.413 3.896 30 20 CHED Fc1cccc2[nH]cc(C=Nn3cnc4ccccc43)c12 763358478 APVLPXJKZPQUDM-UHFFFAOYSA-N 278.290 3.539 30 20 CHED C#CC[C@H](NC(=O)c1cccn1C(C)C)c1ccccc1 764233885 NLQNAQRDOIHRAX-INIZCTEOSA-N 280.371 3.563 30 20 CHED COc1ccc(CN(CCC#N)CC(C)C)cc1Cl 764272159 ZTHFUTVXVAMQMR-UHFFFAOYSA-N 280.799 3.720 30 20 CHED CC#CCCSc1nnc(-c2ccccc2)s1 764954074 DEFMBDPPDCWXJX-UHFFFAOYSA-N 260.387 3.711 30 20 CHED CCCCCCCC(=O)N(C)[C@@H](C)C1CCN(C)CC1 765105759 DFXCPKZYRJACON-HNNXBMFYSA-N 282.472 3.536 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1cccc([N+](=O)[O-])c1 765992029 FPOAYEFYUWVVSW-SNVBAGLBSA-N 261.325 3.819 30 20 CHED N#CC1(OC(=O)c2ccc(-c3ccco3)s2)CCC1 766394508 MRTGQSBZKREPOM-UHFFFAOYSA-N 273.313 3.611 30 20 CHED C#Cc1ccc(C(=O)O[C@H](C)c2c(C)cccc2C)nc1 766558801 FYJKKMAOWFYUMI-CQSZACIVSA-N 279.339 3.598 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 767079246 OMJPBJBVBBSKOT-GXFFZTMASA-N 293.769 3.501 30 20 CHED C#C[C@H](C)N(C)C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 767244286 TWMWSSQIQHBVTH-MMRAYRKESA-N 295.304 3.589 30 20 CHED CC(=NOCc1ccccc1)c1ccc(C(C)(C)O)cc1 767356931 WZJIPBDTTYRVJQ-UHFFFAOYSA-N 283.371 3.855 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1cscn1 767901606 VDAQCWNMIAKLOI-UHFFFAOYSA-N 286.278 3.965 30 20 CHED CC(C)CN(CCC#N)Cc1cccc(OCCCC#N)c1 768153228 BFIDTMHAWRTDNK-UHFFFAOYSA-N 299.418 3.741 30 20 CHED CCCCCCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 769896262 GMSQGTINMKAVDU-STQMWFEESA-N 281.362 3.592 30 20 CHED c1ccc([C@H]2CCCCC2=NOC2CCOCC2)cc1 774456147 AZVPFCPYUKSGKD-MRXNPFEDSA-N 273.376 3.896 30 20 CHED Cc1ccccc1C(=N)NOCc1ccc(Cl)cc1C#N 774719976 VENZGRAWZGIFLQ-UHFFFAOYSA-N 299.761 3.567 30 20 CHED N#Cc1cccc(/C=C2\CCc3ccc(F)cc3C2=O)c1 776191660 FLEWCHDBNZVMGW-OQLLNIDSSA-N 277.298 3.910 30 20 CHED Cc1ccc(Cl)c(OCC(=O)OCCC(C)(C)C#N)c1 776356258 YQDHGLGLOGPQPC-UHFFFAOYSA-N 295.766 3.510 30 20 CHED C[C@@H]1CC/C(=C/C(=O)O[C@H](C#N)C2CCCCC2)C1 776392315 ODSRDBCGGOTZFP-RIHWVARESA-N 261.365 3.748 30 20 CHED CC[C@@H](NC(=O)Cc1ccccc1CC#N)c1ccccc1 776797168 JXDVUQMKHKUJFY-GOSISDBHSA-N 292.382 3.563 30 20 CHED C[C@@H]1CC[C@@H](C)C1N[C@H]1CCCc2cc(C#N)ccc21 777126709 KCHHQJDLTZFDAI-XNJGSVPQSA-N 268.404 3.960 30 20 CHED Cc1ccc(C)c(C=NNc2ccc3[nH]ncc3c2)c1 779815627 CZUQTMBKJFVQNT-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C[C@@H]1CC(C(=O)OCc2ccc(CC#N)cc2)C[C@@H](C)C1 780031208 GNCHUMAUASZVHB-KBPBESRZSA-N 285.387 3.868 30 20 CHED COc1cccc(NN=Cc2c[nH]nc2-c2ccsc2)c1 780199634 SIDJTRLASPJRLB-UHFFFAOYSA-N 298.371 3.593 30 20 CHED CC1(C)CCC(C=NN[C@@H]2CCOC(C)(C)C2)CC1 780252110 ZFHKMCZELNJTAE-CQSZACIVSA-N 266.429 3.736 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](C)C2(CCC2)C1 780728769 WBGMOJITLBCWQM-OAHLLOKOSA-N 261.409 3.609 30 20 CHED C=CCC[C@@H](C(=O)NC[C@@H]1CCC=CO1)c1ccccc1 781068653 OAXASTPMWSKYFE-DLBZAZTESA-N 285.387 3.545 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2ccc(OC)cc2)CCCCC1 788179422 TZRCZRBWCDNMRZ-HNNXBMFYSA-N 299.414 3.846 30 20 CHED C[C@@H]1CCC(=NN[C@H](CO)c2ccccc2)c2ccccc21 788453739 BBAZCAWMQQYQCT-AUUYWEPGSA-N 294.398 3.611 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1C(=O)OCC1=CCCC1 790832643 GIJMEUBVWPWREC-UHFFFAOYSA-N 295.260 3.844 30 20 CHED C#C[C@H](N[C@H](C)[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCCO1 793086282 UUSWRFZBAJKNDF-OMNBBPDLSA-N 291.822 3.602 30 20 CHED COC(=O)c1cc(NN=C2CCC[C@@H]2CCF)ccc1C 793097630 LBMIBAVWKYVYTR-GFCCVEGCSA-N 292.354 3.709 30 20 CHED C[C@H](NN=Cc1cn[nH]c1-c1ccc(F)cc1)C(C)(C)C 793113013 YXJSRYGXQDKORX-NSHDSACASA-N 288.370 3.574 30 20 CHED C=CCCCCC[C@H](C)NC[C@@]1(N(C)C)CCSC1 793535996 USPLBALXRKWJEO-HOTGVXAUSA-N 284.513 3.538 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C=O)c(C)cc1C 793548720 LAKOAESRNCMTGK-UHFFFAOYSA-N 287.403 3.934 30 20 CHED FC(F)c1ccc(C=NNc2cncc(Cl)n2)cc1 794492179 GGZJLOYUKXKUBM-UHFFFAOYSA-N 282.681 3.514 30 20 CHED Cc1ccc(C(=O)OCc2ccc(C#N)cc2F)cc1C 794671769 RLXUKAAZBRVWEQ-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=CCOc1ccc(C/N=C\c2cccc(OC)c2O)cc1 794679405 HCIDASUAJLKRDY-UYRXBGFRSA-N 297.354 3.585 30 20 CHED CN(C)c1ccc(/C=C2/COc3cc(F)ccc3C2=O)cc1 794728314 OLRXOWNETUPUAD-LCYFTJDESA-N 297.329 3.550 30 20 CHED C=C(Cl)COc1ccc(C(C)=NOCCCOC)cc1 795048664 OWBYPEVCMDOWNX-UHFFFAOYSA-N 297.782 3.595 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccc(C#N)cc1C 796639217 KETCLBCQQNBSAU-UHFFFAOYSA-N 274.367 3.502 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc2c(c1)CCCC2 797078746 XAXSRPUBFXFUJO-GFCCVEGCSA-N 295.338 3.948 30 20 CHED C[C@H]1CC[C@@H](OC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 797240353 YSHFLVUGYSONEP-XHDPSFHLSA-N 289.350 3.707 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(N(C)C)c(C)c1 798497454 OKLDMPYQBSUYCQ-ZDUSSCGKSA-N 275.396 3.537 30 20 CHED Cc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)cc1C#N 799298048 TXQUYMXARIMGLV-AWEZNQCLSA-N 290.366 3.848 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cc(C)n(C)n1 799876029 IVEFUYGDFWJFKJ-AWEZNQCLSA-N 298.434 3.927 30 20 CHED C[C@@H](C#N)OCCOC(=O)CC1CCC(C(C)(C)C)CC1 801848629 KVZAYVHHHIBQLA-NFOMZHRRSA-N 295.423 3.701 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc(Cl)c2ncccc12 802064432 QBCAKFLMVGSUEB-ZDUSSCGKSA-N 288.734 3.593 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OCCC2CCCC2)c1 803834988 ZTWPMXLUSOXSGY-UHFFFAOYSA-N 277.751 3.949 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc2occc2s1 804836009 OUDMMPQOLLXXFP-UHFFFAOYSA-N 295.363 3.770 30 20 CHED CCCCCCCCN1CC[C@@H](N2CCCC2)[C@@H]1C 805767778 HFRSJDVYLVRZCT-DLBZAZTESA-N 266.473 3.906 30 20 CHED C=C(CC)CN(C)c1ccc2c(C)cc(=O)oc2c1 805770979 PQXQAJNKULANNG-UHFFFAOYSA-N 257.333 3.504 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@@H]2C[C@H]21)c1ccccc1 807000957 KYIYUHBVMNXNAK-IXDOHACOSA-N 284.403 3.888 30 20 CHED COc1ccc(C)cc1C=NNc1nccnc1C1CCC1 807993286 YUJVUNKYXCPXNN-UHFFFAOYSA-N 296.374 3.507 30 20 CHED COc1nc(C)cc(C)c1CON=Cc1ccccc1C 808244808 ORQUEPIRVNBARE-UHFFFAOYSA-N 284.359 3.566 30 20 CHED C#C[C@H](NC(=O)NCc1oc2ccccc2c1C)C(C)(C)C 808271865 UWBZTKPFNBSIQL-INIZCTEOSA-N 298.386 3.588 30 20 CHED C#Cc1ccc(CNc2ccccc2OCCCOC)cc1 809599721 KKTPZGVOMDZOIW-UHFFFAOYSA-N 295.382 3.695 30 20 CHED C#C[C@H](C)N[C@@H](C)CCc1cccc(C(F)(F)F)c1 809683788 OZHYSYZCEMZQHW-RYUDHWBXSA-N 269.310 3.638 30 20 CHED C=CCCCCOC(=O)c1cccc(NC(=O)C2CC2)c1 811013085 JMRSARIMQAMYEF-UHFFFAOYSA-N 287.359 3.548 30 20 CHED C#C[C@H](NC(=O)C(C1CC1)C1CC1)c1ccc(Cl)cc1 811947767 NYQHGWBVGZJKAS-HNNXBMFYSA-N 287.790 3.567 30 20 CHED Cc1cccc2c1CCN(c1nc(C)c(C#N)cc1Cl)C2 812458674 MCAGUCAMZAUPHJ-UHFFFAOYSA-N 297.789 3.786 30 20 CHED N#CCCCC(=O)Nc1cccc(COc2ccccc2)c1 812478120 CZOQIBDMXRPZBG-UHFFFAOYSA-N 294.354 3.898 30 20 CHED Cc1cccc(NN=Cc2cccc(O)c2Cl)c1 814687207 BVWOGNPLLCWQEY-UHFFFAOYSA-N 260.724 3.800 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccc2cc[nH]c12 814787716 UJCNWVUDPXZPPP-UHFFFAOYSA-N 288.354 3.962 30 20 CHED N#C[C@@H]1CCCC(=NNc2ncccc2C(F)(F)F)C1 814801761 RQCMXVOLAKCTHZ-SECBINFHSA-N 282.269 3.582 30 20 CHED CC(C)c1cnc(C=NN[C@H](C)c2ccccc2)s1 814814978 HRTIWHVYXSQPOS-GFCCVEGCSA-N 273.405 3.951 30 20 CHED CCOc1ccc(NN=Cc2ccc3oncc3c2)cc1 814985233 XWKVUKADFCLEHC-UHFFFAOYSA-N 281.315 3.673 30 20 CHED CCOc1ccc(NN=C2C[C@@H](OCC)C23CCC3)cc1 814985634 MYJPMVHBHDHCGP-MRXNPFEDSA-N 288.391 3.832 30 20 CHED Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1N(C)C 821742482 HOMKNHBFJLJWHV-UHFFFAOYSA-N 299.418 3.864 30 20 CHED C=C[C@H](CC(=O)OC[C@]1(C)C[C@H]1F)c1ccccc1 822121737 YTAFSLPNACVQDD-XPKDYRNWSA-N 262.324 3.638 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1cc(C#N)ccc1C 824645659 NPQLJWIEYIBKRC-HNNXBMFYSA-N 262.328 3.724 30 20 CHED CCn1nnc(C)c1/C=C1\CC(C)(C)c2ccccc2C1=O 834438014 FCIRGXBKXFEQQI-JLHYYAGUSA-N 295.386 3.554 30 20 CHED Cc1cccc(C=NNc2oc(C(C)C)nc2C#N)c1F 834947692 HZPLISYQNQGLAT-UHFFFAOYSA-N 286.310 3.563 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCc1ccccc1C#N 835119051 PBWAZVMQNRNTSE-SNVBAGLBSA-N 285.265 3.580 30 20 CHED C=CCCCCOC(=O)[C@@H](CC)CC(F)(F)F 835448964 FAKBYYAWUJQXJB-JTQLQIEISA-N 252.276 3.865 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC[C@]1(C)CC1(Cl)Cl 836911690 JWYHOSGYMBIKCY-NWDGAFQWSA-N 278.223 3.679 30 20 CHED CC(C)(C)Cc1nc2cc(NC(=O)C#CC3CC3)ccc2o1 837403823 JBZFCMOWROUXIT-UHFFFAOYSA-N 296.370 3.768 30 20 CHED CC(C)c1ocnc1C(=O)OCCC1(C#N)CCCCC1 840229284 NDEDVPAUISPAMW-UHFFFAOYSA-N 290.363 3.819 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(C)nc(Cl)c1 840578126 STPXSYOGAAOEKP-UHFFFAOYSA-N 267.756 3.689 30 20 CHED Cc1cc(Cl)cc([C@@H](C)NCC(C)(C)CC#N)c1O 840788040 UWEISYXCVUNFRD-LLVKDONJSA-N 280.799 3.945 30 20 CHED Cc1ccccc1OCCSCC1(C#N)CCC1 842165388 VZXATQAUGCICBN-UHFFFAOYSA-N 261.390 3.801 30 20 CHED C#C[C@H](OC(=O)C1(F)CCCC1)c1ccc(Cl)cc1F 842354167 TXWQOBSNXXQJPL-ZDUSSCGKSA-N 298.716 3.979 30 20 CHED CC(C)CC(Cc1cccc(Cl)c1)=NN(C)[C@H](C)CO 842541203 PWMYPWQWTBVJRG-CYBMUJFWSA-N 296.842 3.597 30 20 CHED N#C[C@H](C(=O)[C@H]1CC12CCCC2)c1nc(C2CC2)cs1 842941706 SWUIMYDRNOYNJH-VXGBXAGGSA-N 286.400 3.777 30 20 CHED C/C=C(/CC)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842944361 JNRXXBKMWGAUIO-IMAIQDNJSA-N 260.362 3.553 30 20 CHED C=CCN(C(=O)Nc1ccn(-c2ccc(C)cc2)n1)C(C)C 847219497 PROVITBAZUSDNH-UHFFFAOYSA-N 298.390 3.609 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCc2ccccc2C1 851204663 BYOSEWBMSKTSFC-CJNGLKHVSA-N 285.387 3.663 30 20 CHED C/C(=C/C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccco1 851206907 YHIJOBLNWDKTJQ-KGTBHZDVSA-N 261.321 3.554 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC[C@@H](C)C1 851210930 ZVYJWUBOMFMAAJ-FRRDWIJNSA-N 251.370 3.684 30 20 CHED C=C[C@H](OC(=O)[C@H]1CCC(F)(F)C1)c1ccccc1 851452796 WQDJGICFZPXRAG-STQMWFEESA-N 266.287 3.892 30 20 CHED CCON=C(C)c1ccc2cc(OC)c(OC)cc2c1 853286943 YFHYSHRAHMBZAS-UHFFFAOYSA-N 273.332 3.618 30 20 CHED O=C1Nc2ccccc2C12CCC(=NOCC1CCC1)CC2 853439360 FKINNXZTWGXXLZ-UHFFFAOYSA-N 298.386 3.623 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NOCC2CCC2)C1 853441261 UTDHOKFSJMHAAL-CYBMUJFWSA-N 281.396 3.693 30 20 CHED CCCc1ccc(C=NNCCC(F)(F)F)s1 857210096 UNURLJTXLGMWOE-UHFFFAOYSA-N 264.316 3.577 30 20 CHED Clc1cnc(NN=C2C[C@@H]3CCCc4cccc2c43)nc1 857220883 PELYWHAKQXXGLG-NSHDSACASA-N 298.777 3.770 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2ccc(F)c(Cl)c2)C1 860825166 CHSPEOUEYLXASO-NWDGAFQWSA-N 295.741 3.647 30 20 CHED CCCCCCCNC(=O)N1CCC[C@](C)(OC)CC1 875764151 BMZPYVXOKHBIFR-INIZCTEOSA-N 284.444 3.557 30 20 CHED C#CCCCCCCNCc1ccnc(C(F)(F)F)c1 877562513 VFXAYVILIVNSHL-UHFFFAOYSA-N 284.325 3.774 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 879496697 JLOSBABRKFETMB-AWEZNQCLSA-N 289.423 3.560 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cc2nc(C)no2)cc1 885612386 CVGCTJRKLNMXLB-UHFFFAOYSA-N 299.374 3.510 30 20 CHED C=C1CCC(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 887937137 MOQWISHFJGJQRJ-UHFFFAOYSA-N 288.347 3.897 30 20 CHED CC(C)[C@H]1CCc2nc(NC(=O)CCCC#N)sc2C1 890595904 PPYFXHSYNLAIPB-NSHDSACASA-N 291.420 3.536 30 20 CHED C=C1CCN(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)CC1 893395256 MVNFTWCPVROSKJ-GJZGRUSLSA-N 272.392 3.540 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2cccc(CC#N)c2)C1 894767530 BRFNSPKOVZYNIO-HUUCEWRRSA-N 260.406 3.839 30 20 CHED N#C[C@H]1CCCN(c2nc(-c3ccccc3F)cs2)C1 895648606 QCVNSVWPKNWZFM-LLVKDONJSA-N 287.363 3.689 30 20 CHED C=CC[C@@H](C(=O)N(O)Cc1ccc(F)cc1)c1ccccc1 900094541 PDXODAPBUALFIV-QGZVFWFLSA-N 299.345 3.903 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C(=O)O)c1cc(C)cc(C)c1 901532059 OJZAKQYCEPIYNR-OFQRWUPVSA-N 275.392 3.619 30 20 CHED COc1ccc([C@H](CC(C)C)NCC2(C#N)CC2)cc1 903106040 LOBFPRQGVKYMKV-INIZCTEOSA-N 272.392 3.676 30 20 CHED C=CCN(C(=O)c1cccc(OCC(C)C)c1)C(C)C 915153519 OSSOSGJNJYMTNW-UHFFFAOYSA-N 275.392 3.758 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 915496246 VWFATVSGWTXOOY-SECBINFHSA-N 289.158 3.880 30 20 CHED CC(=NNC(=S)Nc1ccccc1F)c1ccccc1 915920330 FLGXWRVPHZYJBV-UHFFFAOYSA-N 287.363 3.536 30 20 CHED CCC(=NNc1nc(C)cc(C)n1)c1cccc(Cl)c1 916241941 OVOICSUHRGYTFY-UHFFFAOYSA-N 288.782 3.973 30 20 CHED Cc1nc2sccn2c1C=NNc1ccc(Cl)cc1 916246670 GUDSPXQZRHFYQK-UHFFFAOYSA-N 290.779 3.804 30 20 CHED C=C(Cl)COC(=O)Cc1ccc(Cl)c(Cl)c1 916609362 CAOWKDXZLXAYHE-UHFFFAOYSA-N 279.550 3.832 30 20 CHED CCc1nc2cc(N=Cc3c(O)cccc3OC)ccc2o1 917559264 IZOZCSGXTQSREX-UHFFFAOYSA-N 296.326 3.855 30 20 CHED C=C(Br)CN1CC[C@H](C)[C@H]2CCCC[C@H]21 919647820 TWQTXMNVVKCUOM-CYZMBNFOSA-N 272.230 3.796 30 20 CHED CCCCCCCOC(=O)c1ccc(F)c(NC(C)=O)c1 920116289 GPEVTDRICXFJRX-UHFFFAOYSA-N 295.354 3.911 30 20 CHED Cc1ccc([C@@H](C)/N=C\c2cccc(O)c2O)s1 920174741 PAYBKNSUPISIAJ-IIBSKXHVSA-N 261.346 3.648 30 20 CHED CCOc1ccc(C=Nc2ccc(F)cc2F)c(O)c1 920942577 KTJYQXFXZFICIG-UHFFFAOYSA-N 277.270 3.820 30 20 CHED Cc1csc([C@@H](N[C@H](C)CC(C)(C)C#N)C2CC2)n1 925145690 CCHDFJMPRHHOJW-MFKMUULPSA-N 277.437 3.821 30 20 CHED C=C[C@H](CC)CC(=O)N1Cc2ccccc2[C@@H](C)C1 929375293 VEQDDIGTMVMJAJ-UONOGXRCSA-N 257.377 3.735 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(-c2ncco2)cc1 935176357 VXCVNIWRSIQKQL-LBPRGKRZSA-N 270.332 3.882 30 20 CHED N#Cc1cc(C(=O)NC[C@H](c2ccccc2)C2CC2)cs1 1117763138 XZLSEVVVJNYLNA-MRXNPFEDSA-N 296.395 3.543 30 20 CHED C=C(CC)C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 1123869405 UBKLNJBMUKOOCD-CABCVRRESA-N 293.794 3.643 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(F)c(C#N)c1 1125726174 JVIMEOJTZZDREU-UHFFFAOYSA-N 295.317 3.531 30 20 CHED Cc1cc(F)c(C(=O)Nc2cc(F)cc(C#N)c2)cc1F 1132445315 DRZNRRKXJCFONI-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cc(C)cs1 1150797153 IVOLFEFUCYESLP-UHFFFAOYSA-N 285.372 3.612 30 20 CHED C[C@H]1C[C@@H](N2CC(C)(C#N)C2)c2ccsc2S1 1206174458 NBHWIDKIPFAUQJ-GXSJLCMTSA-N 264.419 3.519 30 20 CHED C=CC1CCN(C(=O)c2[nH]ccc2-c2ccccc2)CC1 1261258701 KOPBMLUIZGQBBV-UHFFFAOYSA-N 280.371 3.720 30 20 CHED C[C@]1(C(=O)[C@@H](C#N)c2cccc(F)n2)C[C@@H]1c1ccccc1 1263383916 IVFSZJBOEDZUDO-IYOUNJFTSA-N 294.329 3.591 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC[C@H]2c2ccccc2)nn1 1307119461 HODQWVRQQLSEBB-WBVHZDCISA-N 292.386 3.734 30 20 CHED N#CCOc1cccc(NC/C=C/c2cccc(F)c2)c1 1308678264 VQYNMROVLHBNRZ-HWKANZROSA-N 282.318 3.853 30 20 CHED CC(C)Oc1ccccc1NC(=O)CC#Cc1ccccc1 1319123443 GOIRNJKMTIQGPI-UHFFFAOYSA-N 293.366 3.854 30 20 CHED C=CCCCCCN(C)C(=O)c1nccc(Cl)c1F 1320797003 IZUQSQZXQKJAIC-UHFFFAOYSA-N 284.762 3.693 30 20 CHED CCCCSCCc1nnc(-c2cccc(C#N)c2)o1 1322585914 UBIDAEFDWUDCAV-UHFFFAOYSA-N 287.388 3.684 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc2c(c1)oc1ccccc12 1324117515 ATFAIMCFOMYOCF-OAHLLOKOSA-N 292.338 3.864 30 20 CHED CC(C)(CC#N)CNC(=O)NC(C)(C)C1CCCCC1 1324739761 LGYYDTLWQKFXPT-UHFFFAOYSA-N 279.428 3.584 30 20 CHED C=C[C@H](COC)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 1325239935 POOGYWWCYWROJQ-NUEKZKHPSA-N 279.811 3.767 30 20 CHED C=C[C@@H](COC)NC(=O)[C@H](CCC)c1ccc(Cl)cc1 1328559884 NKPYHCRZRVHSBS-LSDHHAIUSA-N 295.810 3.541 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C(C)C)cn1 1337488780 PKCACLGDAOIOST-HNNXBMFYSA-N 272.392 3.776 30 20 CHED C=CC(C)(C)CC(=O)OCc1csc(C(F)(F)F)n1 1337737013 GQYRBPOSAPTTIP-UHFFFAOYSA-N 293.310 3.807 30 20 CHED CSCc1cccc(CNc2cccc(CC#N)n2)c1 1338591555 AAHMGIRZZCYZOU-UHFFFAOYSA-N 283.400 3.623 30 20 CHED C#C[C@@H](CC)NC(=O)c1nc(-c2ccccc2)oc1C(C)C 1338999054 QZHWDPKGZPSMEO-AWEZNQCLSA-N 296.370 3.607 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 1346974079 DLZHJKFBMJXOKH-CQSZACIVSA-N 296.414 3.806 30 20 CHED C=C(C)CCC(=O)N1CCc2cccc(C(F)(F)F)c2C1 1347242815 LKMLYQGIBPXNIP-UHFFFAOYSA-N 297.320 3.946 30 20 CHED CCCCS[C@@H](C)C(=O)O[C@@H](CC#N)c1ccco1 1350311013 DGVKSQPFCHWRJF-AAEUAGOBSA-N 281.377 3.699 30 20 CHED C#CC[C@@H](C)OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 1357580557 PCNKCRKCJGTNNH-GFCCVEGCSA-N 296.322 3.718 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)c1ccsc1C#N 1359849191 RPRJWAPMIJHUGW-AWEZNQCLSA-N 298.411 3.761 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2ccncc2s1 1457266660 NLHTUEDJWWIQTH-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C(Br)CN1CCc2ccccc2C1(C)C 1460280721 VLMPVICZYZVSOR-UHFFFAOYSA-N 280.209 3.688 30 20 CHED C=C(CC)C(=O)N1CCc2cc(-c3ccccc3)oc2C1 1527934477 YFIAFNNXKJSNQL-UHFFFAOYSA-N 281.355 3.798 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2ccsc2C#N)c1 1530445626 RPRNHVNFOPYBFI-LBPRGKRZSA-N 284.384 3.728 30 20 CHED COc1ccc(NC(=O)C2(C3CCCCC3)CC2)cc1C#N 1532697389 WJNNCYBZSLTFNA-UHFFFAOYSA-N 298.386 3.866 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CCCC(C)(C)C1 1535276850 IWPCNQIWFIASOF-LLVKDONJSA-N 261.321 3.585 30 20 CHED Cc1cc(NCC2(c3cccc(F)c3)CC2)ncc1C#N 1559111907 APRWUZZKUPBQMQ-UHFFFAOYSA-N 281.334 3.545 30 20 CHED CC[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1C 1585516172 LCGOBWLEPNDHTP-ZIAGYGMSSA-N 284.403 3.748 30 20 CHED CC(C)(C#N)CCCCOc1cnc(Cl)cc1C(=O)O 1609647293 BCMZZAQJBCLJBF-UHFFFAOYSA-N 296.754 3.532 30 20 CHED N#CC1(CS[C@@H]2CCOc3ccccc32)CCC1 1640990770 LKWSDSCXJQIARP-CQSZACIVSA-N 259.374 3.937 30 20 CHED C=C(CNC(=O)N[C@@H]1CCCC(C)(C)C1)c1ccccc1 1681451249 ZAYABLNATZMQLB-MRXNPFEDSA-N 286.419 3.968 30 20 CHED O=C(O)c1cc(Cl)sc1C=NOC1CCCCC1 1776056492 QTVAZUCHLCTKPX-UHFFFAOYSA-N 287.768 3.783 30 20 CHED Cc1c(NN=C2CCC[C@H](C)[C@H]2C)cccc1C(=O)O 1776087523 HVURRSONEFGSGN-WDEREUQCSA-N 274.364 3.917 30 20 CHED C=C(C)CCCN1CCC([C@@H]2CCC[C@H]2C(=O)O)CC1 1776138739 KMOAPNQNDSRBAY-JKSUJKDBSA-N 279.424 3.556 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@@H](C)c2ccc(Cl)cc2)C1 1776157371 GGFJYPADGOGYNX-BLLLJJGKSA-N 293.794 3.754 30 20 CHED C=CCCCCCN1CC[C@@H]2C[C@H](CC(=O)O)CC[C@@H]2C1 1776173381 KIUGRKVIXYDSGJ-BRWVUGGUSA-N 293.451 3.946 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cccc(C(=O)O)c1F 1777477214 JQRPOGCXYMLOIP-WAYWQWQTSA-N 290.315 3.790 30 20 CHED N#CCCCCNC(=O)CSc1ccc2ccccc2c1 171504544 VGZZSOWXHWFZFR-UHFFFAOYSA-N 298.411 3.742 30 20 CHED CCCCCCCC(=O)Nc1cc(C(N)=O)ccc1Cl 109718536 VBXVFZXURAOGIT-UHFFFAOYSA-N 296.798 3.738 30 20 CHED Cc1ccccc1CNCc1ccc(N(C)CCC#N)cc1 119824742 PZNVWABPQVKMKQ-UHFFFAOYSA-N 293.414 3.635 30 20 CHED N#CCCCN1CCC[C@@H]1c1ccc(Br)cc1 52453299 XYPJOYSXCLOSQD-CQSZACIVSA-N 293.208 3.890 30 20 CHED C=C(C)CN(CC)C(=O)C[C@H](C)c1ccccc1C 115985223 UPAOHUOGJXVDTM-HNNXBMFYSA-N 259.393 3.913 30 20 CHED CCN(Cc1cccnc1C)[C@H](C)c1ccc(C#N)cc1 179464337 FPRCTXDPELFHHU-OAHLLOKOSA-N 279.387 3.845 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(OCCC)c(OCC)c1 116854245 FVDCXHQTNXDSSB-CYBMUJFWSA-N 291.391 3.569 30 20 CHED C[C@@H](NC(=O)N1CCC(C#N)CC1)[C@H](C)C1CCCCC1 175442961 AFDKQFQYHNNJAP-UONOGXRCSA-N 291.439 3.536 30 20 CHED CC[C@H](C)NC(=O)[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 172418423 PFMXVGAOWNDBSO-AVGNSLFASA-N 290.432 3.656 30 20 CHED C#CCCCNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 175598575 CIJMXRJCIYSHMH-SFHVURJKSA-N 296.414 3.651 30 20 CHED C[C@H](CC(=O)N(CC#N)c1ccccc1)c1ccccc1F 171159980 ZGJKKFSFYBUANJ-CQSZACIVSA-N 296.345 3.876 30 20 CHED Cc1cccc2ncnc(N(CCC#N)CCC(C)C)c12 301739731 KAMZUGMXSYJSCI-UHFFFAOYSA-N 282.391 3.704 30 20 CHED C=CCC1(CNC(=O)[C@H](C)CC(F)F)CCCC1 412389260 FPCSCCMXICXHIB-LLVKDONJSA-N 259.340 3.530 30 20 CHED Cc1ncccc1/C=C/C(=O)c1ccc(F)cc1F 171418624 JTIFQFQKMZKAMH-QPJJXVBHSA-N 259.255 3.564 30 20 CHED C[C@H]1CC[C@H](NC(=O)NCCCCC#N)c2ccccc21 179174123 RSXYXGGGLRJHLN-BBRMVZONSA-N 285.391 3.618 30 20 CHED C=CC1CCN(C(=O)c2c(C)[nH]c3ccccc23)CC1 110969502 VHUMNVULPJVOBH-UHFFFAOYSA-N 268.360 3.515 30 20 CHED C[C@@H](CC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 26111652 CHWIEYOWCJCEEP-GJZGRUSLSA-N 292.382 3.929 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccc(Cl)cc1C#N 301148363 IAKWFWLWJXZGFD-UHFFFAOYSA-N 281.746 3.720 30 20 CHED O=C1/C(=C\c2cnc3ccccn23)CCc2ccccc21 172586664 XCLABYSHDHXZCZ-KAMYIIQDSA-N 274.323 3.547 30 20 CHED C[C@H](C#N)CN(C)C[C@@H](C)c1cccc(Br)c1 509782659 MHXFZWSGMWJMRU-VXGBXAGGSA-N 295.224 3.644 30 20 CHED C=CCOC(=O)[C@H](CC)Cc1cccc(Br)c1 303646305 CPLUMLSWGMHECJ-GFCCVEGCSA-N 297.192 3.747 30 20 CHED C#CCCCNC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 174126304 MEEYNLCEICKUDT-MRXNPFEDSA-N 298.430 3.973 30 20 CHED C=CCCCCCN(C)Cc1ccnc(Cl)c1 172654974 UGQRAYUEAPWYRZ-UHFFFAOYSA-N 252.789 3.913 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1cc(C#N)ccc1C 175290795 MPJBXGFDRGTLMJ-LBPRGKRZSA-N 273.380 3.767 30 20 CHED C=CCN(CC=C)C(=O)c1cc2cc(F)ccc2s1 302001709 RMQNFUBCCHQQAI-UHFFFAOYSA-N 275.348 3.855 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCCO[C@H]1C(C)C 177906641 CFQMFEZOSRJJBG-RDJZCZTQSA-N 283.456 3.914 30 20 CHED N#Cc1ccc(/C=C/c2cccc(Cl)c2F)nc1 178030132 OQDPVJJZZSOMRK-FNORWQNLSA-N 258.683 3.916 30 20 CHED CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 79440684 MUJKWFYIZIWMKU-CQSZACIVSA-N 299.761 3.747 30 20 CHED CC(C)Cc1ccc(CC(=O)Nc2sccc2C#N)cc1 61202743 AYKHQWCKYFFEBX-UHFFFAOYSA-N 298.411 3.999 30 20 CHED Cc1nc(CN(Cc2ccc(C#N)cc2)C(C)C)oc1C 63750281 FGAXQZLCROTUGO-UHFFFAOYSA-N 283.375 3.574 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](c1ccccc1)C1CC1 122905087 GBILAHGWCYRQBO-INIZCTEOSA-N 257.377 3.605 30 20 CHED CC(C)Oc1ccccc1CNc1c(C#N)cccc1C#N 302840549 LMVJOPSTQIEWEP-UHFFFAOYSA-N 291.354 3.829 30 20 CHED C=CCC[C@H](CCC)NC[C@H](O)c1ccc(F)cc1 124909094 FAVOGJTZCYQVNT-HOTGVXAUSA-N 265.372 3.584 30 20 CHED CCc1cccc2c(CCNc3ccc(C#N)cn3)c[nH]c12 301244893 KUZRJALTUUOWDV-UHFFFAOYSA-N 290.370 3.652 30 20 CHED C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1cccc(C#N)c1 37281078 KCYAVOBAIJNORU-SNVBAGLBSA-N 285.278 3.779 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1NCCCC 125729593 FYZDYFGPCZODAJ-UHFFFAOYSA-N 274.408 3.937 30 20 CHED C=CCC(CC=C)C(=O)N(CC)c1cccc(F)c1 122932786 YVEWBPYCWQUNCK-UHFFFAOYSA-N 261.340 3.947 30 20 CHED CC1(CC(=O)NCc2cc(C#N)ccc2F)CCCCC1 125556105 LOMFONANNVTSHF-UHFFFAOYSA-N 288.366 3.674 30 20 CHED CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 358642704 ASHINWKIYPHCQN-AWEZNQCLSA-N 271.364 3.601 30 20 CHED C=CC[C@H](C(=O)Nc1cccc2[nH]cnc12)c1ccccc1 189690172 CXARQZCPNARJNF-AWEZNQCLSA-N 291.354 3.861 30 20 CHED CCN(C(=O)C[C@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 186830013 NXCGHZQDLXWMJA-DZGCQCFKSA-N 270.376 3.737 30 20 CHED Cc1cccc(N(C)Cc2cn3ccccc3c2C#N)c1 303120409 FMWCPLLINUSDSH-UHFFFAOYSA-N 275.355 3.756 30 20 CHED C=C(C)CNC(=O)CSc1cc(Cl)ccc1Cl 123071751 WZJYPDDPGYGWOD-UHFFFAOYSA-N 290.215 3.778 30 20 CHED CC(C)CCN(C(=O)/C=C/c1ccccc1C#N)C1CC1 75874250 UJOPLZFRUUIQLK-JXMROGBWSA-N 282.387 3.609 30 20 CHED C=CC[C@@H](C)NC(=O)c1coc2cc(C)c(C)cc12 184561083 VHJGYRXORSUPHU-GFCCVEGCSA-N 257.333 3.744 30 20 CHED C=CCC[C@H](NCc1nc(O)cc(CC)n1)c1ccccc1 180038959 LJIQRWBXRKRNJO-INIZCTEOSA-N 297.402 3.542 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](C)c1nccs1 187721743 NGKNKJAEMMRMRV-OLZOCXBDSA-N 285.416 3.811 30 20 CHED Cc1c(F)cccc1NC(=O)N[C@H](C)c1cccc(C#N)c1 72604579 AKKOWWWBXRIZDM-GFCCVEGCSA-N 297.333 3.889 30 20 CHED Cc1ccc(CCN[C@H](C)c2cccc(C#N)c2)cc1 181978627 MYQQTSFHMJUNER-OAHLLOKOSA-N 264.372 3.760 30 20 CHED CC(C)Cc1c[nH]c(C(=O)N(CCC#N)CC(C)(C)C)c1 412212640 JTQUHUHTOLXGGI-UHFFFAOYSA-N 289.423 3.615 30 20 CHED CCCCC[C@@](C)(CC)C(=O)NCCCCC#N 186634562 VQIXNNGXZXJNJA-OAHLLOKOSA-N 252.402 3.793 30 20 CHED CC#CCCCC(=O)Nc1cc(C(C)C)c(O)cc1C 184767942 WDZDPDBUXNWDDP-UHFFFAOYSA-N 273.376 3.956 30 20 CHED C=CCCCNC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C 507456347 QBIHJOVKVFNCRO-LRDDRELGSA-N 292.810 3.841 30 20 CHED CCCOc1ccc(CNCc2ccc(C#N)o2)c(C)c1 188794705 ZAMRJEIEEREUAV-UHFFFAOYSA-N 284.359 3.538 30 20 CHED C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 315615007 VNJZTMOZPPERLV-QWHCGFSZSA-N 295.342 3.878 30 20 CHED C[C@@H](NCCSCc1ccccc1C#N)c1cccnc1 181395039 YCNUJGVNOIWRMD-CQSZACIVSA-N 297.427 3.537 30 20 CHED C[C@H](CC#N)NC(=O)CCCc1ccc2ccccc2c1 180099085 HSDCIVXFQJUHJG-CQSZACIVSA-N 280.371 3.581 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1cc(C)ccc1F 507860151 OJQFUUQXOSVMMW-UHFFFAOYSA-N 263.356 3.695 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 75276248 OEUCWVQCODKJIX-CABCVRRESA-N 292.382 3.848 30 20 CHED CSc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1 186394602 LKMLLPDJDZUPJJ-KRXBUXKQSA-N 273.332 3.839 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc(C)c2)c1 210604973 OXDAJWCEORAZDQ-KTKRTIGZSA-N 252.313 3.900 30 20 CHED C[C@@H](CC(=O)N1CCc2cc(C#N)ccc21)c1ccccc1 416016794 IPGMVKIWUDAVNQ-AWEZNQCLSA-N 290.366 3.641 30 20 CHED C#Cc1cccc(NC(=O)NCc2ccc(CC)s2)c1 45987949 KDUYATWYVQROOU-UHFFFAOYSA-N 284.384 3.614 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(CC#N)cc1 454344188 NECMJBIQGOGFLO-GFCCVEGCSA-N 273.380 3.699 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1ccc2ccccc2c1 410120157 SRWFTEGCVCCNGS-QGZVFWFLSA-N 267.372 3.853 30 20 CHED CCn1c(NC(=O)C[C@@H](C)C(C)C)nc2cc(C#N)ccc21 131960900 ZAYAFCBZFJIYHE-GFCCVEGCSA-N 298.390 3.549 30 20 CHED Cc1nc2c(/C(O)=N/C[C@H]3C[C@H]4CC[C@H]3C4)cccc2o1 329968421 WARNNPBAKBXQIW-RWMBFGLXSA-N 284.359 3.877 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Cl)cc(F)c1F 410822203 MYXJQOZQPXXEBH-UHFFFAOYSA-N 259.683 3.769 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1F 134507449 DPHVNUWQYJCBBC-GORDUTHDSA-N 287.315 3.664 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(CC)C1CCC1 413840803 WAWSXIPVSZDNTF-MRXNPFEDSA-N 286.419 3.758 30 20 CHED C=C1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 341990624 DFSOBAJSYCBKRV-UHFFFAOYSA-N 272.323 3.633 30 20 CHED C[C@H]1Cc2ccccc2N(C(=O)[C@@]2(C#N)CC23CCCC3)C1 410439339 JTYIVPBAOLQWLH-LIRRHRJNSA-N 294.398 3.686 30 20 CHED C=CCC1(C(=O)Nc2cc(C#N)ccc2OCC)CCC1 191885801 JUBIBSPYMNWCEK-UHFFFAOYSA-N 284.359 3.642 30 20 CHED CCCC/C(N)=N/OCc1ncc(-c2ccc(C)cc2)o1 131268091 RZMFQRLKKRDVBK-UHFFFAOYSA-N 287.363 3.629 30 20 CHED CO[C@]1(C)C[C@@H](/N=C(/O)c2cncc3ccccc23)C1(C)C 329845532 XZVWJKUUGKKFMS-CRAIPNDOSA-N 298.386 3.743 30 20 CHED C=CCS[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C 134028206 OJJJDKSZZOASNY-STQMWFEESA-N 275.417 3.662 30 20 CHED C[C@@H]1CCC[C@](C#N)(/N=C(/O)[C@H]2CCCSC2)C1 329782717 UOWYEJVBHAEQSI-DYEKYZERSA-N 266.410 3.559 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1 199704216 GIFJNCMLXXAHJM-UITAMQMPSA-N 274.266 3.870 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(C)(C)Oc1ccccc1 424671392 VXRBUHMHEACGTF-UHFFFAOYSA-N 275.392 3.563 30 20 CHED CC(C)c1ccsc1C(=O)[C@@H](C#N)c1ccccn1 49004989 YMLJLGQTNAOXQX-LBPRGKRZSA-N 270.357 3.757 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(NCCC)cc1 193026898 BWWCNEWZRZWNOZ-UHFFFAOYSA-N 286.419 3.893 30 20 CHED C[C@H]1CC[C@@H](C(O)=Nc2ccc3c(c2F)CCN=C3O)C1 328906598 KXIIYSHGPUNOHT-VHSXEESVSA-N 290.338 3.711 30 20 CHED N#Cc1csc(CN(Cc2cccc(F)c2)C2CC2)c1 130156220 JPHQQMDGNCYPFS-UHFFFAOYSA-N 286.375 3.923 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC[C@@H](N)C2)cc1C(F)(F)F 420285345 PNZXANHEPQHENX-ZYHUDNBSSA-N 297.324 3.506 30 20 CHED CC[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(C)cc1 194715205 OLPAAYUHXBZPGF-SFHVURJKSA-N 292.382 3.677 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 425561976 QMVQNAKGQMIRDI-UHFFFAOYSA-N 299.330 3.684 30 20 CHED C[C@@H](c1ccco1)N(CCOc1ccc(C#N)cc1)C1CC1 86235784 GKLRMIYCXFPTKX-AWEZNQCLSA-N 296.370 3.756 30 20 CHED Cc1ccc(F)c(OCCCOc2ccc(C#N)cc2)c1 85555766 KUJBGJXWTSYDEE-UHFFFAOYSA-N 285.318 3.854 30 20 CHED OC(=Nc1ccc2oc(C3CC3)nc2c1)N1CCC12CCC2 330122427 KIMWNVGDYLWPPH-UHFFFAOYSA-N 297.358 3.879 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1cccc2[nH]ccc12 424794477 AUWIDOUXXLKZKK-UHFFFAOYSA-N 270.376 3.729 30 20 CHED CCCCCCCCn1cnc2ccsc2c1=O 161833319 XFNITFMSFFHREX-UHFFFAOYSA-N 264.394 3.819 30 20 CHED COc1c(Cl)cc(N=C(O)NC(C)(C)C)cc1Cl 330952218 QKMXBJLESIMTPV-UHFFFAOYSA-N 291.178 3.936 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCCC[C@H]1C 425382544 IDSMHIDKIJRBEF-KEYYUXOJSA-N 299.418 3.839 30 20 CHED CCC[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1CCCC1 334034290 MUOHQTHLXWFVGW-MAUKXSAKSA-N 288.435 3.936 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](CO)CC1CCCC1 511014976 TUSWJVZLRTWXHC-HZPDHXFCSA-N 253.430 3.652 30 20 CHED C=CCCc1csc(C[C@H](C)n2cc(Cl)cn2)n1 90065544 XHWYYNXNQPLLRA-JTQLQIEISA-N 281.812 3.915 30 20 CHED N#CCCCOc1ccc(C(=O)c2ccccc2)cc1 98070090 LDPDEEYPFZXJAJ-UHFFFAOYSA-N 265.312 3.600 30 20 CHED N#Cc1cn(CCC2=CCCCC2)c2ccccc2c1=O 336268099 UUDZVPJTSAUFKS-UHFFFAOYSA-N 278.355 3.764 30 20 CHED CCC1(/N=C(/O)C[C@H]2Oc3ccccc3N=C2O)CCC1 330059695 LLCUVHIKCMGWPV-CYBMUJFWSA-N 288.347 3.715 30 20 CHED CC(C)CN(CCCCC#N)Cc1ccc(C#N)cc1 338735009 STPCUVRQVHRDPW-UHFFFAOYSA-N 269.392 3.710 30 20 CHED CC(C)(C(=O)Nc1ccccc1)c1cc(F)cc(C#N)c1 335938302 GVJGJZIMXRRJOA-UHFFFAOYSA-N 282.318 3.614 30 20 CHED Cc1cc(-c2nc([C@@H]3CCCC[C@@H]3C)no2)ncc1C#N 331646623 LGHYRDAEAWHKIO-GXFFZTMASA-N 282.347 3.605 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@@H]1C1CC1 434075458 QDXMBCFQDBNTAL-HZPDHXFCSA-N 261.409 3.627 30 20 CHED CCSc1ccc([C@@H](C)NC(=O)C(C)(C)C#N)cc1 349103844 DGLRTDZTDULESG-LLVKDONJSA-N 276.405 3.526 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1F)c1ccc(OC)cc1 341029472 AUTNWYIJVGXACE-QGZVFWFLSA-N 298.361 3.947 30 20 CHED C[C@H]1CCCN(c2ccccc2OC[C@@H](C#N)CCC#N)C1 245688918 JERINTPSKUHGPI-JKSUJKDBSA-N 297.402 3.745 30 20 CHED CCCCCOc1ccc(Oc2nccnc2C#N)cc1 522624443 URHWCUMZUGLRRZ-UHFFFAOYSA-N 283.331 3.710 30 20 CHED C=CCn1c(SCCC2CC2)nnc1-c1ccoc1C 340636459 ZYZRYLMXKWJWNW-UHFFFAOYSA-N 289.404 3.925 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)c1cc(C#N)cs1 437666369 KOTFCNCRHDXSAC-UHFFFAOYSA-N 298.411 3.918 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(C)cc(F)c1 433263795 XARWHOIJLFQFRV-UHFFFAOYSA-N 264.344 3.858 30 20 CHED Cc1ccc(C#N)c(NC[C@H](C)Sc2ccccc2)n1 346819083 RVGQCULXRFOXRI-ZDUSSCGKSA-N 283.400 3.854 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc2ccccc2o1 435744453 XNLYQRQIEFJTIE-RHSMWYFYSA-N 271.360 3.504 30 20 CHED N#CCC[C@@H](NCc1ncc(Cl)s1)c1ccccc1 349647901 WQIYPOSSICWCED-GFCCVEGCSA-N 291.807 3.931 30 20 CHED N#Cc1cccnc1Oc1ccccc1NCCC1CC1 526120284 LSSFMCAYSGNJIG-UHFFFAOYSA-N 279.343 3.958 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(C)=O)s2)n1 349769420 BAJMBPTYDLCDTI-UHFFFAOYSA-N 262.334 3.509 30 20 CHED C[C@@H](NC(=O)C1(C#N)CC2(CC2)C1)c1cc2ccccc2o1 600958782 KVYXHLLSLLFUKL-GFCCVEGCSA-N 294.354 3.694 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccccc1 347303861 IYAGWEBRAOGHSK-GOSISDBHSA-N 292.382 3.904 30 20 CHED C=CCCCCCN(C)Cc1cc(C#N)ccc1F 523551743 DPZCLLUNXQOJIV-UHFFFAOYSA-N 260.356 3.876 30 20 CHED COc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)cc1C#N 250403631 OMRKHGDNDSMFRP-HOTGVXAUSA-N 284.403 3.579 30 20 CHED CC[C@@H](CC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)C 609162809 UEGWZMSZRDKZAT-ZFWWWQNUSA-N 272.392 3.808 30 20 CHED O=C(/C=C\c1cncs1)c1coc2ccccc12 255082864 HMHJVPXSVHDHEY-WAYWQWQTSA-N 255.298 3.785 30 20 CHED C=CCOc1ccc(CC(=O)NC2CCCCCC2)cc1 448567527 YYFDKFSBIDOGBO-UHFFFAOYSA-N 287.403 3.633 30 20 CHED C=CCCCCCSc1n[nH]c(-c2cccnc2)n1 447302075 OHXZAHJPHHEOQY-UHFFFAOYSA-N 274.393 3.705 30 20 CHED C=C(C)CN(CC)C(=O)COc1cc(C)ccc1C(C)C 255925725 VXUOUDVAAIPEIX-UHFFFAOYSA-N 289.419 3.922 30 20 CHED C[C@H](CCC#N)CN(Cc1ccccc1)C[C@H]1CCCO1 602450832 ZDPMRBLKADYYKD-SJLPKXTDSA-N 286.419 3.607 30 20 CHED C=CCn1cccc1C(=O)N[C@H]1CCCc2ccc(F)cc21 357463349 YFNVNICFOLSGSE-INIZCTEOSA-N 298.361 3.621 30 20 CHED C=CCOCCCC(=O)N(CC)c1ccc(Cl)c(F)c1 441409669 OPAMQYOIEYWXEE-UHFFFAOYSA-N 299.773 3.815 30 20 CHED C=CCN(C(=O)Nc1cnc(C(F)(F)F)cc1C)C1CC1 353883611 QMPDJSLRZLSKHH-UHFFFAOYSA-N 299.296 3.591 30 20 CHED C=CCN(CC=C)C(=O)C1(Cc2cccc(Cl)c2)CC1 448567629 YTQRKMZWYBXPMW-UHFFFAOYSA-N 289.806 3.863 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)cc(OC)c1 351624580 OKGAXFJXJPZNSU-ZDUSSCGKSA-N 279.767 3.529 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2Cc2ccc(F)cc2)cc1 604016806 CVZVLCFZSYAFST-IBGZPJMESA-N 294.373 3.904 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)NCC(C)(C)CC#N 600001593 NJBQGJDHGIRBKK-UHFFFAOYSA-N 296.370 3.925 30 20 CHED Cc1cc(CNc2ccc(-n3ccnc3)cc2)ccc1C#N 443989537 LUQNIAZTLMMDJY-UHFFFAOYSA-N 288.354 3.665 30 20 CHED Cc1ccccc1CN(C(=O)c1sccc1C#N)C1CC1 353604948 PFKUIDSKYAYVAX-UHFFFAOYSA-N 296.395 3.733 30 20 CHED C[C@@H]1C[C@H]1[C@H](NCC1(C#N)CC1)c1ccc(Cl)cc1 538325261 VPLWOTWTJRKQJQ-KCPJHIHWSA-N 274.795 3.930 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(OCC#N)cc1 264135923 NLGLZEZETMJAJA-CQSZACIVSA-N 298.361 3.921 30 20 CHED CCSCCCc1noc(/C=C\c2ccccc2C#N)n1 445768841 PUTVVAMFZSUZTB-KTKRTIGZSA-N 299.399 3.797 30 20 CHED C=CC[C@H](CO)CN[C@H](CC(C)C)c1cccs1 539295206 LSFQUNORUKWKPB-UONOGXRCSA-N 267.438 3.610 30 20 CHED Cc1ccc(O[C@H](C)CNCc2ccc(C#N)cc2F)cc1 533309061 VGKRYRHBOGWDGF-CQSZACIVSA-N 298.361 3.563 30 20 CHED C[C@H](CC#N)NC(=O)c1ccc(C(C)(C)C)c(Cl)c1 353782163 TUEBVNNXHZZFLI-SNVBAGLBSA-N 278.783 3.669 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)c1ccc(Cl)cc1F 441392817 DNIYIBBWLJVYTM-LLVKDONJSA-N 299.773 3.813 30 20 CHED C/C=C(\C=C\C(=O)N[C@@H](C)c1ccc(C#N)cc1)CC 268727661 BBNNRERCEHFAPO-FFZXOJQJSA-N 268.360 3.648 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 352944411 XSWDHKFYGLBDLD-JONQDZQNSA-N 288.435 3.744 30 20 CHED Cc1ccccc1CCCN1CCC[C@@](C)(C#N)C1 612167325 LSPGRGVUOAMKLC-KRWDZBQOSA-N 256.393 3.553 30 20 CHED COc1cc(CN2[C@H]3CCCC[C@@H]3C[C@H]2C)ccc1C#N 442881887 BMTTXAVORNAPDQ-UNEWFSDZSA-N 284.403 3.720 30 20 CHED CC[C@H](F)CSCCCC1(C#N)CCOCC1 442559367 SPEZTPHNMLWQAU-LBPRGKRZSA-N 259.390 3.568 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618848086 NKJKJSNHPHWJOH-XGWLTEMNSA-N 297.402 3.518 30 20 CHED CCOc1ccccc1N(C)Cc1cccc(C#N)c1 533670217 DTJNTXUFOPRWMW-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C=CCC1(C(=O)NCc2sc(C)nc2C)CCCCC1 449956348 CDGFJWPYOIUMJA-UHFFFAOYSA-N 292.448 3.903 30 20 CHED C=CCCNC(=O)c1ccc(Cl)c(C(F)(F)F)c1 617616799 IATOYILJLSPNPF-UHFFFAOYSA-N 277.673 3.665 30 20 CHED Cc1ccc(CN(C)c2nc(C(C)(C)C)ccc2C#N)nc1 616064756 YLBMORAECDCGGQ-UHFFFAOYSA-N 294.402 3.591 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N[C@@H](CCC#N)c2ccccc2)C1 269621420 QTPZUJVWTJKKIA-BIPIRPLISA-N 282.387 3.894 30 20 CHED CN(CCCc1ccccc1)Cc1cc(F)ccc1C#N 535326120 OAKZQWPHDSABEO-UHFFFAOYSA-N 282.362 3.762 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)NC1CC=CC1 610743412 BPZPGHYZYFRXIL-UHFFFAOYSA-N 288.350 3.674 30 20 CHED Cc1ccnc(CSc2ccc(C#N)cc2F)c1 616214636 OXWCNDUUOJFCHZ-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCC[C@H](C#N)C2)o1 613255193 XNHKVDZPENSBBB-OSFYFWSMSA-N 258.365 3.575 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)CCCC2=O 455727579 FFUYVBJRQUYHGI-UHFFFAOYSA-N 286.375 3.636 30 20 CHED CC1=CCN(c2nc3ccccc3c(C)c2C#N)CC1 450409210 VOIGSYAZLWIZDR-UHFFFAOYSA-N 263.344 3.571 30 20 CHED C=CCN(C(=O)[C@@H](C)c1nc(C)cs1)c1ccccc1 615001267 CVKFMPZLPKHNGP-ZDUSSCGKSA-N 286.400 3.774 30 20 CHED CCc1nc2ccccc2c(N2CC[C@@](F)(C#N)C2)c1C 619587266 FRAZVPCIATZTOE-QGZVFWFLSA-N 283.350 3.548 30 20 CHED C[C@H](NC(=O)NCC1(C)CCCCC1)c1cccc(C#N)c1 610707803 UGKVVYOZHUZSGW-AWEZNQCLSA-N 299.418 3.889 30 20 CHED CN(Cc1ccccc1Br)[C@H]1CC[C@@H](C#N)C1 278524216 CYBORFOGMAROIO-YPMHNXCESA-N 293.208 3.573 30 20 CHED C=CCCNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 617616282 PWKXGXKMLYEHGV-LLVKDONJSA-N 285.309 3.891 30 20 CHED C=CCC1(NC(=O)c2ccc(C(C)=O)s2)CCCCC1 456386657 TZYPUQUMTNUDSW-UHFFFAOYSA-N 291.416 3.960 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCCC12CCOCC2 367086066 JLLCOPRYZIWWPN-CABCVRRESA-N 251.414 3.670 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@H]1N[C@H]1CC[C@@H](CC#N)C1 453289140 IBTAIFOHBUPGMH-LMMLAZSQSA-N 272.367 3.731 30 20 CHED N#Cc1cccc(C#N)c1NCCCc1ccccc1F 360063765 OFQJTZRFSLTZAT-UHFFFAOYSA-N 279.318 3.614 30 20 CHED CC#CCCNC(=O)[C@H](CC1CCCCC1)C(C)C 544582931 XKRRUCYEFVHHBB-MRXNPFEDSA-N 263.425 3.759 30 20 CHED CC[C@H](C)Oc1ccc(-c2noc([C@@]3(C#N)C[C@H]3C)n2)cc1 453105737 CINXFVFMVFITGM-BWACUDIHSA-N 297.358 3.715 30 20 CHED C[C@H](N[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 367800388 JBDWPZXPQPNRMP-IFXJQAMLSA-N 292.382 3.665 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccc(F)c(Cl)c1)C1CC1 451350776 DKHMAVLICOFAGQ-BBRMVZONSA-N 297.801 3.847 30 20 CHED C=CCCCCNC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 546027167 VRXMAPVXVXAVSK-TZMCWYRMSA-N 276.380 3.559 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 450817287 XRBWNHCKXPGPBP-NXHRZFHOSA-N 299.414 3.505 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccc(F)c(F)c1)C(C)(C)C 622943809 RSGCDQJDVFWONP-LLVKDONJSA-N 297.345 3.545 30 20 CHED Cc1ccnc(N2CCC[C@@H]2c2ccccc2)c1C#N 273352533 PLBQVXUBFFOMOD-MRXNPFEDSA-N 263.344 3.603 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)CC)cc1)OCC 628692460 OYCBTHRLHBOFOC-INIZCTEOSA-N 289.375 3.589 30 20 CHED Cc1nc2ccccc2nc1S[C@H]1CC[C@@H](C#N)C1 278505641 DJKFBIAIHBDCEX-NEPJUHHUSA-N 269.373 3.723 30 20 CHED C#CCCCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 372951567 GLFHIXCAAJGCEG-MRXNPFEDSA-N 291.341 3.822 30 20 CHED C=CCC1(NCc2ncn(-c3ccccc3)n2)CCCCC1 625935417 ZLEDZLOGDJDUDG-UHFFFAOYSA-N 296.418 3.636 30 20 CHED C[C@@H]1C[C@H](CCNc2ccc(Cl)cc2C#N)CCO1 543210357 RVGGLINXNWDJFG-VXGBXAGGSA-N 278.783 3.829 30 20 CHED C#CCCN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 273301225 MZDDWUHBTPLGIX-LLVKDONJSA-N 288.391 3.932 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(SC)cc1OC 278381510 LQDMHRHXLGSJOB-OAHLLOKOSA-N 279.405 3.958 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 273849591 JPTKYIRZEGNYRE-KOLCDFICSA-N 299.201 3.905 30 20 CHED N#Cc1ccc(SC[C@@H]2CCC3(CCCCC3)O2)nc1 466482494 RIOPYYOZMDWXDW-AWEZNQCLSA-N 288.416 3.927 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(Cl)c1OC(C)C 465247965 DIVWOFAFQFBBEQ-JTQLQIEISA-N 282.771 3.823 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H]1C1CC1)c1ccccc1 372859504 VHXHMYDQOFRGNZ-RHSMWYFYSA-N 269.388 3.747 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nccn2Cc2ccccc2)C1 283115864 SEELSCMSSHQTAZ-CABCVRRESA-N 283.400 3.716 30 20 CHED CCCC[C@H](C)N(C)C(=O)[C@H](C)c1cccc(C#N)c1 462459357 NDCVFSHVPBCUMX-UONOGXRCSA-N 272.392 3.699 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC 289386987 LFEMNFXNBRDGSN-JTQLQIEISA-N 299.823 3.985 30 20 CHED CC(C)c1ccc(C(=O)NCC(C)(C)CCC#N)cc1 554098921 JIDNJIXWCWJWBZ-UHFFFAOYSA-N 272.392 3.870 30 20 CHED CCCC[C@@H](C)C(=O)N[C@H](CCC#N)c1ccccc1 283511783 MNHLMKAJPHCJFP-GDBMZVCRSA-N 272.392 3.974 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@H]1CC[C@H](C)C1 464471879 CDJAUKSUVHIIBU-KBPBESRZSA-N 273.376 3.512 30 20 CHED C[C@H](NCC1(c2ccccn2)CCC1)c1ccc(C#N)cc1 375638207 YOTIFKGNWSNKST-HNNXBMFYSA-N 291.398 3.726 30 20 CHED C[C@H]1C[C@@H]1CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 464443167 AOFLPLGJXJHBIR-WIJYIZELSA-N 276.424 3.647 30 20 CHED C=CCOc1ccc(CN(C)CC(C)(C)C#N)cc1Cl 552085113 QDMDQKHRPHKKNV-UHFFFAOYSA-N 292.810 3.886 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cc(C(C)(C)C)ccc1O 281273495 LKXPNLRVKNWGED-UHFFFAOYSA-N 298.342 3.715 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(F)c(NC(=O)NC)c1 287632415 UGPKQCNKBVJRGT-QWRGUYRKSA-N 279.359 3.590 30 20 CHED C=CCOCCCC(=O)N(CCC)c1ccccc1F 637520328 GIHHIJKQAZSASM-UHFFFAOYSA-N 279.355 3.552 30 20 CHED CCCn1ccc2ccc(NC(=O)[C@](C)(C#N)CC)cc21 286098892 MLWHNUABWAYIMR-KRWDZBQOSA-N 283.375 3.930 30 20 CHED C=CCC[C@H](C)NCc1c(F)cccc1N1CCCC1 556911377 CYZXGHWMLJDWKJ-AWEZNQCLSA-N 276.399 3.870 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCN(C)[C@@H](c2ccccc2)C1 550796069 SRAQZAHPQDKUHH-RCCFBDPRSA-N 272.436 3.766 30 20 CHED Cc1oc(C#N)cc1C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 286464501 VFOQOQOQUPCETD-YVEFUNNKSA-N 294.354 3.683 30 20 CHED C=CCOCCCOc1ccc(Cl)cc1Cl 475938501 JKVQVNZZNUOJRD-UHFFFAOYSA-N 261.148 3.965 30 20 CHED C=CCC(CC=C)C(=O)N1CC(C2CCCCC2)C1 294475815 WZKHCTWHHNPWAP-UHFFFAOYSA-N 261.409 3.794 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(N(C)C)c(F)c2)n1 551471834 LLUFAQAIFKPEDU-UHFFFAOYSA-N 289.354 3.795 30 20 CHED CC(C)C(CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N)C(C)C 556617376 JMEFUMPTTDVTNX-ROUUACIJSA-N 292.467 3.842 30 20 CHED C[C@@H]1CC[C@H](C=NNc2cccc(F)c2[N+](=O)[O-])C1 800817941 ZXFLSMGGHTXZBN-ZJUUUORDSA-N 265.288 3.568 30 20 CHED CC(=NN[C@H]1CCSC1)c1cc2ccccc2s1 808000859 CIWHCTLRXPCYJB-LBPRGKRZSA-N 276.430 3.720 30 20 CHED C[C@@](C#N)(NC(=O)[C@@H]1CC12CCCCC2)C1CCCCC1 550742876 DJLFOMHDIGEHJR-RDJZCZTQSA-N 288.435 3.936 30 20 CHED COc1cc(Cl)ccc1COc1ccc(C#N)cc1F 475896992 LKSIUCWNUKXSES-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CSc1ccccc1[C@@H](C)OC(=O)c1cnccc1C#N 808807587 OQEGYKXGBADILW-LLVKDONJSA-N 298.367 3.593 30 20 CHED C=C(CNCc1nn(CC)c2ccccc12)c1ccccc1 472037748 LKDKSDMYLJPDDC-UHFFFAOYSA-N 291.398 3.859 30 20 CHED C#C[C@@H](CC)N[C@@H](C)Cc1ccc(F)cc1Br 809686718 JAQWNVHNIQEKSD-GWCFXTLKSA-N 298.199 3.521 30 20 CHED Cc1ccc(C[C@@H]2CCCN(c3ccnc(C#N)c3)C2)cc1 565320719 GAZWTLLMWBBYRH-KRWDZBQOSA-N 291.398 3.721 30 20 CHED CCOc1cccc(CN2CCCC(C)(C)[C@@H]2C#N)c1 563675302 HBYSZIVQMKMZNT-INIZCTEOSA-N 272.392 3.599 30 20 CHED C=CC[C@H](C)NC(=O)CCc1ccc2ccccc2c1O 295323970 SWSDTJQBEAPPEC-ZDUSSCGKSA-N 283.371 3.559 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)c1cccc(CC#N)c1 295586666 KHUYKHURKKOUDH-AWEZNQCLSA-N 270.376 3.617 30 20 CHED C=CCCCCCCCCNC(=O)c1[nH]ccc1C 807845378 YEHLRRYFXXRVOO-UHFFFAOYSA-N 262.397 3.970 30 20 CHED C[C@@H](C#N)N(C)C(=O)C1(c2cccc(Cl)c2)CCCC1 294477317 WQIISSXZKHGDFV-LBPRGKRZSA-N 290.794 3.522 30 20 CHED C=CCCC1(C(=O)N2CC[C@](C)(c3ccccc3)C2)CC1 476304085 LWEXVESHAUOBEB-SFHVURJKSA-N 283.415 3.923 30 20 CHED Cc1ccc(C(=O)NC(C2CCC2)C2CCC2)cc1C#N 804729968 UYYMWKKQDMMANO-UHFFFAOYSA-N 282.387 3.565 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc2n(n1)CCCC2 649595733 XBSYKYYBHIELCK-UHFFFAOYSA-N 295.430 3.798 30 20 CHED C=CCCCCCCCNC(=O)Nc1cc(CC)nn1C 809877896 IFTXWVUIPXVXSI-UHFFFAOYSA-N 292.427 3.631 30 20 CHED C#Cc1ccc(CNc2ccc(OC)c3ncccc23)cc1 809633939 NPDIMJBVQXLBJF-UHFFFAOYSA-N 288.350 3.837 30 20 CHED CCc1c(C)nc2ccccc2c1N(C)C[C@@H](C)C#N 477072723 UXWZQYFJUSKLQS-LBPRGKRZSA-N 267.376 3.702 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(C)nc1C 806344695 JTCPFMJWPPOVLB-UHFFFAOYSA-N 275.396 3.956 30 20 CHED C[C@H](NCC1(C#N)CC1)[C@H](C)c1nc2ccccc2s1 565517618 HDIOGLGEXYQMNC-RYUDHWBXSA-N 285.416 3.682 30 20 CHED C#CCC(C)(C)c1nc(COc2ccc(Cl)cc2)no1 809295838 LXHDFMDKTOLDRK-UHFFFAOYSA-N 290.750 3.603 30 20 CHED Cc1ccc(N(C)C(=O)[C@@]2(C#N)CC23CCCC3)c(C)c1 298630911 UNISCHKHFCEQMF-SFHVURJKSA-N 282.387 3.740 30 20 CHED C#CC[C@@H](NCc1csc(C)c1)c1ccccc1 294910534 AGINDJGBBCJYMM-MRXNPFEDSA-N 255.386 3.911 30 20 CHED O=C(/C=C\c1cnccn1)c1ccc(SC(F)F)cc1 809154013 LGKKNBXBDKQGSU-UTCJRWHESA-N 292.310 3.687 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CC[C@H]2CC)c1 806147186 UVZAJXYQKYHVEL-BFYDXBDKSA-N 272.392 3.646 30 20 CHED C=CCOc1ccccc1-c1nc([C@H](C)C2CC2)no1 567427635 XIMMIYQZYKESSN-LLVKDONJSA-N 270.332 3.815 30 20 CHED Cc1oc(C#N)cc1-c1nc(Cc2ccc(Cl)cc2)no1 567426488 YQUVLDKKVPYJJJ-UHFFFAOYSA-N 299.717 3.754 30 20 CHED C=CCCCCNC(=O)Nc1c(OC)ccc2c1CCC2 485019628 ATSWOANAWDCJNQ-UHFFFAOYSA-N 288.391 3.662 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C2=C(C)CCC2)cc1 568174123 PHGIKFRXSMUFSO-QGZVFWFLSA-N 282.387 3.772 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1c1ccccc1 488561763 GYJWIEXLTMGVKI-INIZCTEOSA-N 280.371 3.651 30 20 CHED CC(=NOCCC1CC1)c1cc(F)c(F)c(F)c1 814245953 PFCXQNUGBLETIM-UHFFFAOYSA-N 257.255 3.645 30 20 CHED CCCC(=NOCc1ccccc1OC)c1ccccn1 814924289 YPOKENRMXCZIGW-UHFFFAOYSA-N 284.359 3.811 30 20 CHED CCC(=NOCc1cccnc1)c1ccc(Cl)c(N)c1 814884396 WGEFUCVFVGNCDX-UHFFFAOYSA-N 289.766 3.648 30 20 CHED C=C(CC)CNC(=O)NCc1cccc2ccsc12 651143946 QRFJXTDGONXQHT-UHFFFAOYSA-N 274.389 3.667 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC[C@H]1[C@H](C)CC 815663126 ODHXCSFZMKZFFL-NEPJUHHUSA-N 259.340 3.625 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1c(C2CC2)cnn1C 658213278 QJXSTASKDRGODA-HOCLYGCPSA-N 273.424 3.522 30 20 CHED C#C[C@@H](NC(=O)CCCc1ccccc1Cl)C(C)(C)C 811528423 HYWUBHITEZIKIT-OAHLLOKOSA-N 291.822 3.827 30 20 CHED CC[C@H](NC1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 572946171 LNVBHAGURNMKPL-XNJGSVPQSA-N 272.392 3.555 30 20 CHED C=CC[C@@H](C(=O)NCC1CCCC1)c1ccccc1 488608905 LRUNIDGXZWUSTJ-MRXNPFEDSA-N 257.377 3.653 30 20 CHED CCCCCCCCC(=O)N1CC(CC(F)F)C1 819729730 OAPJEUVLKLDCND-UHFFFAOYSA-N 261.356 3.851 30 20 CHED Cc1csc([C@H](C)Nc2ccc(C#N)cc2C)n1 203505681 QNQUDIZXTFKGJI-NSHDSACASA-N 257.362 3.805 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CC=CC[C@H]2C)cc1 578904854 SSIGLRVWJMPTDR-OLMNPRSZSA-N 296.414 3.874 30 20 CHED CCOc1ccc(NN=Cc2ccc(O)c(Cl)c2)cc1 814984927 XVADWDIZNIUYIW-UHFFFAOYSA-N 290.750 3.890 30 20 CHED N#Cc1cc(C(=O)Oc2ccc(C3CC3)cc2Cl)c[nH]1 816217175 OZBWYTCFMASEHN-UHFFFAOYSA-N 286.718 3.636 30 20 CHED C=CCCC(CCC)=NNc1ccc(C(=O)O)cc1OC 814887679 WHMXEQJUNQGJFE-UHFFFAOYSA-N 290.363 3.928 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)O)cc1 578523905 VCDRHQCTZFZUET-PKOBYXMFSA-N 289.334 3.514 30 20 CHED CCC#C[C@@H](C)N1CCC(OC2CCCCC2)CC1 656569008 QNGBHBHEGYIMKF-OAHLLOKOSA-N 263.425 3.602 30 20 CHED C=CCC(F)(F)C(=O)N1CCCCc2ccccc21 815395274 OEHFPEJTRBDDSB-UHFFFAOYSA-N 265.303 3.567 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cccc(-n3ccnc3)c2)no1 577420354 DPCGVXKWUHQIDB-QGZVFWFLSA-N 294.358 3.776 30 20 CHED COc1cccc(NN=C2COc3ccc(Cl)cc32)c1 814778981 ZGPZBBWWTBNUTO-UHFFFAOYSA-N 288.734 3.557 30 20 CHED C=C(Br)COC(=O)C[C@@H](CC)C(C)C 729760080 DZRIHRVXGWIYGF-SNVBAGLBSA-N 263.175 3.511 30 20 CHED C=CCC1(C(=O)NCCc2ccc(F)c(F)c2F)CCC1 480555157 NDPVQCJBGUSQDI-UHFFFAOYSA-N 297.320 3.509 30 20 CHED Cc1ccccc1C[C@@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 571731452 PZGIDGKIQVWAEL-DNVCBOLYSA-N 296.414 3.516 30 20 CHED Cc1cccc2c(C(=O)OCC(C)(C)CC#N)coc12 820628246 ZFQSNSVEYZLNIJ-UHFFFAOYSA-N 271.316 3.838 30 20 CHED Cc1cc(C)nc(NN=C2CC(C)(c3ccccc3)C2)n1 729631579 KAFROJHNNMHSDQ-UHFFFAOYSA-N 280.375 3.613 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc2c(c1)-c1ccccc1C2 726533290 ZBAWTGOAGSRKGD-INIZCTEOSA-N 290.366 3.680 30 20 CHED C=CCCO[C@H](C)c1nc(C2(c3ccncc3)CCC2)no1 656033920 FCHOZFUZPNFVMD-CYBMUJFWSA-N 299.374 3.588 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccsn1 822697249 JVVKBNMWRDMZJX-UHFFFAOYSA-N 268.426 3.966 30 20 CHED N#Cc1ccc(NN=C(Cc2ccccc2)C2CC2)cc1 729142386 RHRPCOGVZLDBSQ-UHFFFAOYSA-N 275.355 3.979 30 20 CHED C=CC[C@@H]1CCCN(c2nc(C(F)(F)F)cs2)C1 664256830 RPPGKFGCIDDMAZ-SECBINFHSA-N 276.327 3.954 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Cc1ccc(OCC)cc1 665480597 JIMDFZWLIMIFQV-ZBFHGGJFSA-N 289.419 3.735 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC2(CCC2)[C@H]1C(C)C 490304285 YFWDOIJMEMJSRT-ZIAGYGMSSA-N 264.413 3.561 30 20 CHED CCCSC[C@@H](C)NC1(c2cccc(C#N)c2)CC1 903139933 WMYCIJPESNRYIW-CYBMUJFWSA-N 274.433 3.669 30 20 CHED N#Cc1ncccc1SCCCCC1(C#N)CCC1 901574708 HVDPTGWSRUCMNO-UHFFFAOYSA-N 271.389 3.910 30 20 CHED CC(F)(F)CCC(=O)N(O)Cc1cccc2ccccc12 904170188 GBYIPUZEMXYHGA-UHFFFAOYSA-N 293.313 3.993 30 20 CHED C=CCC1(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCOCC1 668550761 FTLNVJSOBGNANE-QLFBSQMISA-N 251.414 3.526 30 20 CHED CC(C)(C#N)c1ccccc1CSCc1nncs1 902556386 IPFQHVZBJBABRE-UHFFFAOYSA-N 289.429 3.773 30 20 CHED CC[C@@H](N[C@H]1CCCC12CCOCC2)c1cccc(C#N)c1 902981439 OJEKSPVJGVYIBU-MSOLQXFVSA-N 298.430 3.948 30 20 CHED CC(C)(C)c1ccccc1Nc1ccc(C(=O)NO)cc1 901367741 KQMJVEOIGFYIQK-UHFFFAOYSA-N 284.359 3.847 30 20 CHED Cc1ccccc1C(=NNc1ccc(Cl)nn1)C1CC1 731923549 RMCUGLSNYRADEK-UHFFFAOYSA-N 286.766 3.665 30 20 CHED N#CC1(CSc2c(F)cc(F)cc2F)CCC1 581469777 MYYQHVUKDIUJJF-UHFFFAOYSA-N 257.280 3.890 30 20 CHED CC[C@H](N[C@H](COC)c1ccc(C)o1)c1cccc(C#N)c1 902831431 YMGMONBQPQZRNB-DLBZAZTESA-N 298.386 3.888 30 20 CHED C[C@@H](N[C@H]1CCc2cccc(O)c21)c1cccc(C#N)c1 834612469 TYJMRSKRHUPJDN-WBMJQRKESA-N 278.355 3.602 30 20 CHED CC[C@H](NCc1c(C)nn(CC)c1C)c1cccc(C#N)c1 902790969 TYDMNIVCLITZRJ-SFHVURJKSA-N 296.418 3.632 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](C)c2ccsc2)cc1 669867590 YDEIHCZIUKXQKQ-LBPRGKRZSA-N 287.384 3.804 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)[C@H]1CCCC[C@@H]1C 834973264 UYDFRVVFRQBOCZ-CFVMTHIKSA-N 266.429 3.736 30 20 CHED COc1cc(C)ccc1N[C@@H]1CCc2ccc(C#N)cc21 589343589 MVDUGAUNWXSUIS-MRXNPFEDSA-N 278.355 3.975 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2cccc3ccccc23)n1 586986262 PTLCXXVWOPQATD-CYBMUJFWSA-N 288.354 3.983 30 20 CHED COc1cc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)sn1 901488111 DSZHEFICWAQWAL-ZBQKXELDSA-N 297.379 3.852 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(OC(F)F)c2)C1 839043270 IYGVVNCJIKSNQF-CMPLNLGQSA-N 295.285 3.527 30 20 CHED N#CCCCCCC(=O)N(c1ccccc1)C1CC1 839421463 GNLKJWSVLTYUEJ-UHFFFAOYSA-N 256.349 3.656 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCc3nc(C)sc32)c1 834902442 IBDPPRVKYCEPHS-OAHLLOKOSA-N 282.412 3.600 30 20 CHED N#Cc1cccc(C(=O)NC2CCC3(CCCCC3)CC2)n1 589461508 RNFYMGACVHGYMV-UHFFFAOYSA-N 297.402 3.576 30 20 CHED CC(C)N(Cc1ccc(C#N)cn1)[C@@H](C)c1ccccc1 580960093 DBWJWKYGIMPZLR-HNNXBMFYSA-N 279.387 3.925 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 736398246 WCDWBSJRJPKEHM-LBPRGKRZSA-N 287.190 3.843 30 20 CHED C=CCCCC(=O)OCc1cc(CCc2ccccc2)no1 835701011 JFZYDHFNUYOHIH-UHFFFAOYSA-N 299.370 3.859 30 20 CHED Cc1ccccc1C(=NNCc1ccccc1)C1CC1 731924191 WWEWPSQBNZZGLP-UHFFFAOYSA-N 264.372 3.899 30 20 CHED Cc1cccc(/C=C\C(=O)c2c(C#N)c3n(c2C)CCC3)c1 730086047 XRDRVMRKXQPEJE-HJWRWDBZSA-N 290.366 3.819 30 20 CHED CC(=NNc1ccccn1)C(C)(C)c1ccc(F)cc1 734977857 KORDVSSDFFLDKU-UHFFFAOYSA-N 271.339 3.986 30 20 CHED C=C(Cl)CN[C@H](C)c1cccc(OC(C)C)c1 839539243 OSJQIMZJODDVQP-GFCCVEGCSA-N 253.773 3.877 30 20 CHED CCCCOc1ccc(C=NNCCC)cc1OCC 915966220 ZTVFOJUCXHYQTP-UHFFFAOYSA-N 278.396 3.598 30 20 CHED CC[C@](C)(C=NNc1ccc(C#N)c(C(F)(F)F)c1)OC 834952225 NERWUXCXDYTASZ-CYBMUJFWSA-N 299.296 3.790 30 20 CHED C=CCCCCOC(=O)c1cc(O)nc2ccc(F)cc12 837533136 ADWVZMHWSGHUEH-UHFFFAOYSA-N 289.306 3.593 30 20 CHED C[C@H]1CC[C@H](C)C(=NNc2ccc(C(F)(F)F)nn2)C1 834967123 XVAUPZFLAQEECJ-IUCAKERBSA-N 286.301 3.719 30 20 CHED CCc1cc(C#N)c(NC(=O)CCCc2cccnc2)s1 598806591 ALPHDYWKODVEMC-UHFFFAOYSA-N 299.399 3.539 30 20 CHED C=C(Cl)CNC(=O)c1cccc(N[C@H](C)C(C)C)c1C 743463154 SIEAZHHVXOZKGW-CYBMUJFWSA-N 294.826 3.934 30 20 CHED CC[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(F)cc1F 837432054 WIIIMKFZXSEJPO-CQSZACIVSA-N 279.330 3.582 30 20 CHED CO[C@@H]1CC(=NNc2nccc3sccc23)C12CCC2 834940656 BUNFTGWSSDVMAL-CYBMUJFWSA-N 287.388 3.653 30 20 CHED N#CC[C@@H]1CCCN(CCSCc2ccccc2)C1 595622513 BRYLTLLXMKRWLA-HNNXBMFYSA-N 274.433 3.545 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)CSc1ccccc1 599487327 CEZSKMGTJRHSHF-AWEZNQCLSA-N 277.433 3.839 30 20 CHED CC#CCOC(=O)C1CCC(c2ccccc2)CC1 745500107 AMFAYOLMQVAYLK-UHFFFAOYSA-N 256.345 3.527 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCCc1ccc(C#N)cc1 595446346 CHOJMDWMVCDNHH-DLBZAZTESA-N 288.460 3.755 30 20 CHED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1cccc(C)c1 746498546 UPWTVILUSZZBMQ-UHFFFAOYSA-N 296.374 3.988 30 20 CHED CCO[C@@H](CC)c1noc(/C=C/c2cccc(C#N)c2)n1 596615692 KYQPENRXUUGXLZ-VFNNOXKTSA-N 283.331 3.599 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2cccc(C#N)n2)cc1 841618033 CXLNNPXGNKMQMC-CQSZACIVSA-N 292.386 3.761 30 20 CHED CC[C@@H](OCCN1CCC(C)(C#N)CC1)c1ccccc1 593022543 ZWNBPQIAXWHSAN-QGZVFWFLSA-N 286.419 3.780 30 20 CHED CCCCCCCC(=O)Nc1cc(F)ccc1O 748853938 GWMAMPUSHDXAKW-UHFFFAOYSA-N 253.317 3.830 30 20 CHED CCC(=NNc1nccnc1C(C)C)[C@@H]1CC1(C)C 841636716 XHBWMSNZLABMRP-NSHDSACASA-N 260.385 3.824 30 20 CHED Cc1cccc2[nH]c(CN3CCC(CC#N)CC3)cc12 597081124 FCSPKSDSRDKUOC-UHFFFAOYSA-N 267.376 3.602 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)=C(C)C 840538241 OCBPSEXXWNISEU-INIZCTEOSA-N 257.377 3.646 30 20 CHED C[C@@H](C#N)N(C(=O)[C@H](C)c1ccc2ccccc2c1)C1CC1 598129987 AIGMRQCCNBCIGV-UONOGXRCSA-N 292.382 3.846 30 20 CHED CCC(=O)Nc1ccc(Cl)c(NCC2(CC#N)CC2)c1 594706251 UBQIXYYOSYWSES-UHFFFAOYSA-N 291.782 3.794 30 20 CHED N#Cc1ccc(F)c(CSCc2cc(C3CC3)no2)c1 596403622 TWTVXGAGHXUHHE-UHFFFAOYSA-N 288.347 3.996 30 20 CHED CO[C@H](C#N)c1ccc(-c2ccc(CCN(C)C)cc2)cc1 846780043 CWKORRJJBHIRTD-LJQANCHMSA-N 294.398 3.669 30 20 CHED C#CCOc1ccc(CN[C@H]2CCC[C@H](C3CC3)C2)cc1 742376970 JJPPZLMPIAJYFW-ROUUACIJSA-N 283.415 3.757 30 20 CHED N#C[C@H](c1ccccc1)N1CCC[C@H]([C@@H]2CCCCO2)C1 595786865 IBAFEHUUBIIQKG-KSZLIROESA-N 284.403 3.532 30 20 CHED C#CCN(C(=O)Cc1cc2ccccc2o1)C1CCCCC1 743690187 ZXYVXQLJHYWKKX-UHFFFAOYSA-N 295.382 3.770 30 20 CHED Cc1ccc(SCCC(=O)OCC2(CC#N)CC2)cc1 744277288 GYDMXJCTHQFMQB-UHFFFAOYSA-N 289.400 3.714 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)C1CCCCCCC1 841344945 RTFMYNFUAWUMJJ-UHFFFAOYSA-N 282.387 3.808 30 20 CHED CC(C)c1[nH]ccc1C(=O)OC[C@@H](C#N)Cc1ccccc1 845483351 LCXJPYFEZJJJIO-OAHLLOKOSA-N 296.370 3.677 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC)cc1C)C(C)C 916716081 HMTRMOHHCRTZDI-UHFFFAOYSA-N 276.380 3.822 30 20 CHED CCc1ccnc(-c2noc(CC3(C#N)CCCCC3)n2)c1 596597871 ZUFFYKNKXVXMLG-UHFFFAOYSA-N 296.374 3.711 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(F)ccc2OC(F)F)C1 595614521 DDHRNTCDSRDHEX-LLVKDONJSA-N 298.308 3.553 30 20 CHED N#C[C@@H]1CCC[C@H](NCCC[C@@H]2CC2(Cl)Cl)C1 846109432 JDFFWZOOVIBQEG-UTUOFQBUSA-N 275.223 3.632 30 20 CHED C[C@H]1CN([C@H](C#N)c2ccccc2)Cc2ccccc2O1 595508441 ADUCVFDXJSBTPK-WMLDXEAASA-N 278.355 3.534 30 20 CHED C#Cc1cccc(NCCCOc2ccc(F)cc2)c1 742257738 IHMGSLLRIMSZMK-UHFFFAOYSA-N 269.319 3.688 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1ccc2c(c1)COC2 742435928 BWOSASCXZVFSAZ-VOTSOKGWSA-N 286.277 3.891 30 20 CHED CC(C)(C#N)CCNC1(c2ccccc2Cl)CC1 592138005 RXGREIJFAWEGBT-UHFFFAOYSA-N 262.784 3.859 30 20 CHED CCCCCC(C)=NNc1ccc(CC(=O)OC)cc1 844606679 DOPCWIFMYSYEEE-UHFFFAOYSA-N 276.380 3.770 30 20 CHED Cc1nc(Cl)cc(NN=C2CCCCCC2)n1 741766209 PDBAOECRSHRMKK-UHFFFAOYSA-N 252.749 3.561 30 20 CHED C=C1CCN(C(=O)Nc2cccc(C(C)C)c2)CC1 929335101 SELXERATSUYPNU-UHFFFAOYSA-N 258.365 3.994 30 20 CHED CCCCCCCCN1CCCN(C[C@H]2CCCO2)CC1 740878535 LGHJTVZLEYCQOK-GOSISDBHSA-N 296.499 3.534 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCCC1(C)C 749855320 JCOLPGMCLYVNCV-UHFFFAOYSA-N 261.325 3.881 30 20 CHED CC(=O)Nc1ccc(N[C@H](C)CC(C)(C)C#N)cc1C 925984641 TUUFJLPMXRMJQB-GFCCVEGCSA-N 273.380 3.694 30 20 CHED C=CCOCCNC[C@@H](C)c1ccc(C(F)(F)F)cc1 685426919 RVQGXCGQIZHGMH-GFCCVEGCSA-N 287.325 3.601 30 20 CHED N#Cc1cccc(COC(=O)C2(Cc3ccccc3)CC2)c1 752604576 YIVKGEFHNLDSBP-UHFFFAOYSA-N 291.350 3.624 30 20 CHED C=CCCOCc1nc([C@H](C)c2ccccc2C)no1 680790606 CGGRHBWFMCGFHJ-CYBMUJFWSA-N 272.348 3.623 30 20 CHED Cc1c(Cl)cc(NC(=O)C#CC2CC2)cc1Cl 854509987 HBNDGZUMFPVBDV-UHFFFAOYSA-N 268.143 3.654 30 20 CHED C#CCCCC(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 759198680 WRPKUYUCYDYXTB-UHFFFAOYSA-N 286.371 3.514 30 20 CHED CC(=Nn1cc(Br)cn1)c1cc(C)ccc1C 752747649 ORRDZMYPIIXXPE-UHFFFAOYSA-N 292.180 3.535 30 20 CHED CC(F)(F)CC(=O)OCc1ccccc1C(C)(C)C#N 758729307 FJFVEIPYNWRPBU-UHFFFAOYSA-N 281.302 3.576 30 20 CHED FC(F)CON=C/C(Br)=C\c1ccccc1 758907552 YCKJOCJNGRLINZ-RQYGLHCESA-N 290.107 3.690 30 20 CHED N#Cc1cc(COC(=O)C=C2CCCCC2)ccc1F 758941268 UWQWONZTLDPAFG-UHFFFAOYSA-N 273.307 3.631 30 20 CHED N#CCCCOC(=O)c1cc2cccc(Cl)c2o1 753529035 WYSHXDBNIJABNA-UHFFFAOYSA-N 263.680 3.547 30 20 CHED C[C@H](NCCCC#N)c1ncc(C(F)(F)F)cc1Cl 926133939 VPTVAAPUQCZFQG-QMMMGPOBSA-N 291.704 3.708 30 20 CHED Cc1ccccc1COC(=O)N(CCC#N)Cc1ccco1 858882884 HYCJOAQUVLNYPV-UHFFFAOYSA-N 298.342 3.641 30 20 CHED C[C@H]1CCCCN1N=Cc1cnc(C2CCC2)s1 853380886 XMVKRNCPMUNKMT-NSHDSACASA-N 263.410 3.619 30 20 CHED CCCCCCCCC(=O)N=S1(=O)CCCC1 925929885 ASWWGNDYRZGGJD-UHFFFAOYSA-N 259.415 3.525 30 20 CHED CC(C)Oc1ccccc1C=NOCC1(CC#N)CC1 853640790 PZAFMUMKTZFZMH-UHFFFAOYSA-N 272.348 3.518 30 20 CHED N#C[C@H](OC(=O)[C@@H]1CCNc2ccccc21)C1CCCCC1 850030616 OZLOPUCQTFAFGS-WBVHZDCISA-N 298.386 3.601 30 20 CHED C#CCCOC(=O)Oc1ccc(SC(F)(F)F)cc1 859157980 VULUFQAXJNAHON-UHFFFAOYSA-N 290.262 3.837 30 20 CHED C#Cc1cccnc1N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 853478652 URGUOBLREMUVMY-IRXDYDNUSA-N 296.345 3.534 30 20 CHED C#CC[C@@H](NCc1ccc(OC)c(OC)c1)c1ccccc1 756996846 SHFOOIZHAQKUPT-QGZVFWFLSA-N 295.382 3.558 30 20 CHED C(=NNc1ncnc2ccsc12)[C@H]1C[C@@H]1c1ccccc1 755794805 FAWKLABEUHTSHJ-CHWSQXEVSA-N 294.383 3.893 30 20 CHED Cc1nc(CNc2ccc(OC(C)(C)C)c(C#N)c2)[nH]c1C 850322876 KPPFRGSFYLSOGI-UHFFFAOYSA-N 298.390 3.688 30 20 CHED C#C[C@@H](CC)NCc1c(-c2ccccc2)nc2sccn12 752977738 QIOCNIFKYHVUPJ-AWEZNQCLSA-N 295.411 3.564 30 20 CHED C=C[C@H](OC(=O)[C@H]1CCCSC1)c1ccccc1 851451639 KGVSTMVKJZYRGN-KBPBESRZSA-N 262.374 3.600 30 20 CHED COc1ccc(NN=Cc2csc(C(C)(C)C)n2)cc1 750946616 XGJGSBWZRCFRQS-UHFFFAOYSA-N 289.404 3.895 30 20 CHED O=C(C#Cc1ccccc1)OCc1ccc(C(F)F)cc1 764497980 UKQHLGUFUNZEHN-UHFFFAOYSA-N 286.277 3.719 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](c2ccccc2C)C1 931425934 PQXDVUYQUBXQKU-JKSUJKDBSA-N 271.404 3.913 30 20 CHED Cc1nc(CCC(=O)OCCCCC(C)(C)C#N)cs1 768699173 SWALXIFIWJLXQX-UHFFFAOYSA-N 294.420 3.647 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1c1cccn1C 933979394 WRLICEIGTVAOJA-HOCLYGCPSA-N 274.408 3.681 30 20 CHED Cc1cccc(F)c1CNc1ccc([N+](=O)[O-])c(C#N)c1 766084223 BGOYWUUGKIOXOW-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CC[C@@H]1C[C@@H](C)CN1Cc1ccc(O[C@@H](C)C#N)cc1 769448471 RVXHIEHDTZPGGX-IJEWVQPXSA-N 272.392 3.598 30 20 CHED Cc1cc(C)cc(C2CCN(C[C@@H](C#N)CCC#N)CC2)c1 934801735 RFFYCIZVDMGVEO-QGZVFWFLSA-N 295.430 3.926 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](CC)C1CCC(C)CC1 764783944 LGFLJBXXJDEUSQ-CLRIEMFWSA-N 251.370 3.684 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1ccsc1 764777580 FAFWHMPBGSUFMX-UHFFFAOYSA-N 281.384 3.810 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@@H](C#N)C(C)(C)C 768010793 CRAGSGZWPVURTM-HNNXBMFYSA-N 285.343 3.765 30 20 CHED C=C(C)CCOC(=O)c1ccc(F)c(SC)c1 766653610 OZENFKOFYIRZDK-UHFFFAOYSA-N 254.326 3.671 30 20 CHED CC1(C)CC(=NNCc2cnc3ccccc3c2)C(C)(C)O1 764787412 CSYCBZPQELXZRP-UHFFFAOYSA-N 297.402 3.658 30 20 CHED CCCCCCCc1nnc(Cc2cccnc2)o1 1117265203 UMUKUITXAKYZML-UHFFFAOYSA-N 259.353 3.568 30 20 CHED COc1ccc(NN=C[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 768367977 UMQQIZYFCAWDNP-NWDGAFQWSA-N 291.351 3.827 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)Cc1ccccc1CC#N 1117770682 LYQJPYAZRXVBHT-OAHLLOKOSA-N 284.403 3.546 30 20 CHED Cn1cc(C=NOC2CCCCC2)c(-c2ccccc2)n1 777457420 UHYHGNYABHZYLX-UHFFFAOYSA-N 283.375 3.770 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 774144278 ITYKAFUHNSMADN-DOMZBBRYSA-N 271.360 3.989 30 20 CHED CC(=O)c1cc(OCCCC(C)(C)C#N)ccc1F 871801585 GYJKKLUDKZTQEP-UHFFFAOYSA-N 263.312 3.737 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(F)c2Cl)s1 771991247 BSEXKVZLCJAVTF-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CC(=NOC1CCOCC1)c1ccc2ccccc2c1 774439744 YNZFSBDAGKHEAK-UHFFFAOYSA-N 269.344 3.759 30 20 CHED Oc1nc2ccccc2cc1/C=N\[C@@H]1CCC[C@@H](F)C1 1118192344 CDQHYTARYILXJU-AHFBHCKLSA-N 272.323 3.640 30 20 CHED C[C@@H](C(=O)OCCC(C)(C)C#N)c1ccc(Cl)s1 776393265 DNPJIZALIUBKPM-SECBINFHSA-N 285.796 3.988 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@H]1CC[C@@H](C)O1 777349609 BSSFFRMPSKNQRX-CHWSQXEVSA-N 292.400 3.689 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(Cl)c(C(F)(F)F)c1 775178368 IYGSKJBTBMMDTL-SECBINFHSA-N 275.701 3.812 30 20 CHED CCOc1ccccc1-c1cccc(C(=O)O[C@H](C)C#N)c1 772127250 GCFJIECZVFYGJD-CYBMUJFWSA-N 295.338 3.821 30 20 CHED N#Cc1csc(-c2nnc(-c3ccccc3Cl)o2)c1 1117167714 UAINUNGVAMSUOB-UHFFFAOYSA-N 287.731 3.990 30 20 CHED N#Cc1cc(COC(=O)C2=CCCCCC2)ccc1F 775049031 MAOYFRPWHRLASB-UHFFFAOYSA-N 273.307 3.631 30 20 CHED Cn1ccc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)n1 773151559 UYOCPWZUBAOUTR-CSKARUKUSA-N 288.350 3.568 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2coc3ccccc23)c1 774136698 RSVXKQBHWCEXAE-VOTSOKGWSA-N 296.278 3.709 30 20 CHED C=C(CC)C(=O)NCc1cccc(COC(C)(C)C)c1 1123638187 NEDNDKVVSFXEMC-UHFFFAOYSA-N 275.392 3.584 30 20 CHED C=C1CCC(C(=O)OCc2cccc(Cl)n2)CC1 885652419 WHGJFVHMWAUWCG-UHFFFAOYSA-N 265.740 3.525 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(C#N)c(F)c1 776758505 SAVUNAPOXCRXCQ-UHFFFAOYSA-N 289.260 3.812 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1ccccn1 777448729 PWOTVDGTXOJJNL-SFHVURJKSA-N 281.403 3.663 30 20 CHED CC(C)n1cccc1C(=O)O[C@@H](C#N)C1CCCCC1 776397844 XGWJRAQYIINLFX-HNNXBMFYSA-N 274.364 3.698 30 20 CHED Cc1cc2cc(C(=O)/C=C\c3ccn(C)n3)oc2cc1C 773154906 XRBJYOLYAMRPKJ-PLNGDYQASA-N 280.327 3.679 30 20 CHED C=CCC1(O)CCN(CC[C@@H]2CCc3ccccc32)CC1 886778562 HJVMIZYCPSCSHQ-KRWDZBQOSA-N 285.431 3.510 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cc3ccccc3[nH]2)c1 788409408 WSFNDTWAXJBROH-UHFFFAOYSA-N 280.287 3.522 30 20 CHED C=CC(C)(C)CC(=O)N(c1ccccn1)C1CCCC1 889586030 DKQRKEYYIWAGQQ-UHFFFAOYSA-N 272.392 3.960 30 20 CHED CCC[C@@H](NC(=O)C(C#N)(CC)CC)C1CCCC1 1129757542 HBEQKRBYNUTJQZ-CQSZACIVSA-N 264.413 3.791 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC23CCCC3)cc1 788698499 COYXMNQMFFLPOW-UHFFFAOYSA-N 259.309 3.717 30 20 CHED Fc1cc(NN=C2CC[C@H]3CCCC[C@@H]3C2)ccn1 781134220 WYOJSKOYQRVZGI-VXGBXAGGSA-N 261.344 3.979 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1cccc(CC#N)c1 890608650 ATIXBPDNUDDFJP-GOSISDBHSA-N 290.366 3.860 30 20 CHED CCc1ccccc1CC(=O)OCc1ccc(F)cc1C#N 785832158 RADWFGMPDIIQNG-UHFFFAOYSA-N 297.329 3.546 30 20 CHED COc1ncc(C(=O)/C=C/c2ccccc2F)cc1Cl 789156586 BYJHCZQSAUUJEJ-VOTSOKGWSA-N 291.709 3.779 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccccc1Br 782299928 JVMCRVIKYLHDIR-CYBMUJFWSA-N 295.224 3.951 30 20 CHED CC(C)c1ccoc1C(=O)OCc1ccc(OCC#N)cc1 792596740 CYJPGNMGLIGGJV-UHFFFAOYSA-N 299.326 3.662 30 20 CHED CCn1c(C(C)=NNc2ncccc2C)nc2ccccc21 790190705 KXUFRKCRFUKLQC-UHFFFAOYSA-N 293.374 3.596 30 20 CHED COc1ccc2ccccc2c1CCNC[C@H](C)CCC#N 896814514 RSSUSTZJHWPULV-OAHLLOKOSA-N 296.414 3.920 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc3n[nH]cc3c2)c1 794918809 MDAIOIBGXYGTIN-UHFFFAOYSA-N 298.321 3.547 30 20 CHED C#Cc1ccc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc1 797406552 CYZJEXDDGYEZIB-ARFHVFGLSA-N 283.371 3.579 30 20 CHED CC[C@H](C)CON=C(C)c1cc2c(C)nn(C)c2s1 793145579 KSVYNAIFNIPIAA-VIFPVBQESA-N 279.409 3.730 30 20 CHED Cc1cc(C)cc(CNC(=O)[C@H](CC#N)c2ccccc2)c1 1131546900 QPIJQIYQJORYLL-GOSISDBHSA-N 292.382 3.617 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H](F)CC1CCCCC1 796903684 FMWQBKUQCZSIKX-XJKSGUPXSA-N 282.403 3.739 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC3(CC2)CC3)c1 792630618 CFTRIQAQELISDN-UHFFFAOYSA-N 259.309 3.717 30 20 CHED Cc1oc(C#N)cc1C(=O)NCCCCCCC(C)C 797822699 YBDKZSWVWNNGLS-UHFFFAOYSA-N 276.380 3.796 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)OC(C)(C)C 796122734 RMBNODDKNUCMIX-UHFFFAOYSA-N 293.411 3.777 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H](O)c1cccc(F)c1 793530685 XGRHVZFKRAALLZ-PBHICJAKSA-N 279.399 3.974 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CCC23CCC3)c1 799876890 DQAMOHQXXIRDOE-UHFFFAOYSA-N 291.395 3.741 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1ccccc1CC#N 1141533696 SXYCERJGPLSGEX-HOCLYGCPSA-N 284.403 3.699 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(Cl)cc1 44766671 YDABWASYAYFWIJ-LLVKDONJSA-N 278.783 3.847 30 20 CHED N#CCCCOc1cccc(NC(=O)c2ccsc2)c1 55569420 MSPKXNQYMRRIIO-UHFFFAOYSA-N 286.356 3.683 30 20 CHED CCCCCCCC(=O)Nc1ccc(-n2cncn2)cc1 1317820104 YMIYGUWLQGRPJX-UHFFFAOYSA-N 286.379 3.566 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(C#N)cc2)c(C)c1 19471491 WRTUTNBYNJNRBU-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CC(C)(C)c1ccc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)nn1 1318928484 JJEINIMSESBXTO-RQJABVFESA-N 298.434 3.998 30 20 CHED C[C@H](C(=O)Oc1ccc(C#N)cc1)c1ccc(F)cc1F 1318749689 GGFRTLIRLKLREY-JTQLQIEISA-N 287.265 3.546 30 20 CHED Cc1cc(C)cc(-c2nnc(-c3cccc(C#N)c3)o2)c1 1322342402 BOSOXPHCGHAJKE-UHFFFAOYSA-N 275.311 3.892 30 20 CHED CCCN(Cc1cc(C#N)ccc1Br)C(C)C 1171598749 KIUNITBHZJXAAR-UHFFFAOYSA-N 295.224 3.941 30 20 CHED CC(C)n1ncc2c1[C@H](/N=C/c1ccccc1O)CCC2 1320242545 SMMNZPZOWCDSGU-BFERYNQYSA-N 283.375 3.666 30 20 CHED C#CCN(C[C@H](O)c1cccc(Cl)c1)C1CCCCC1 743843378 YTIWNXRSEXMOFF-KRWDZBQOSA-N 291.822 3.641 30 20 CHED N#CCN(Cc1ccc2ncccc2c1)C1CCCC1 80215765 VOXNCGICFUQOGF-UHFFFAOYSA-N 265.360 3.503 30 20 CHED N#CC[C@H](Cc1nnc([C@H]2CCCCO2)o1)c1ccccc1 1329108992 SBJZFMLJIANGHS-HUUCEWRRSA-N 297.358 3.551 30 20 CHED COC(=O)c1cccc(C=NNc2ccccc2Cl)c1 1323857263 IIEIUQFDBRBRDU-UHFFFAOYSA-N 288.734 3.573 30 20 CHED N#Cc1ccc(CN2CCC3(CCCC3)CC2)cc1 62953855 XHHVRSGHDCXGDV-UHFFFAOYSA-N 254.377 3.714 30 20 CHED Cc1c(C#N)cccc1C(=O)N1Cc2ccccc2[C@H](C)C1 1332385888 WCEOVKGRPZJJLI-CYBMUJFWSA-N 290.366 3.626 30 20 CHED CC1(C(=O)Nc2ccc(Cl)c(C#N)c2)CC(F)(F)C1 720490992 MXEWLGIZNKEZEQ-UHFFFAOYSA-N 284.693 3.586 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2F)s1 76342434 MPXFDVDUUPTCMM-UHFFFAOYSA-N 274.364 3.699 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccc(F)cc1 88154606 IRJAQYLVVLVAMR-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C[C@@H]1CCC[C@H](CNc2cccc(CC#N)n2)[C@@H]1C 1256388083 KTEYEPZCGFOMBX-MGPQQGTHSA-N 257.381 3.632 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1Cc1ccc(C#N)s1 1331108792 AIQDOAWPWZRZTO-LLVKDONJSA-N 286.375 3.878 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCc2ccccc21 1332363763 GWXDMPYSCRLXSK-ZFWWWQNUSA-N 256.393 3.634 30 20 CHED C=C(CC)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 1346153299 OXORVISOBBXSHX-LLVKDONJSA-N 251.757 3.826 30 20 CHED CC1(C)C[C@H](C(=O)O[C@@H]2CC[C@H](C#N)C2)c2ccccc2O1 1347216678 GGSDVIFLUIGMSU-GUTXKFCHSA-N 299.370 3.567 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CCC[C@@H](C)[C@@H]1C 1458515000 FIEVPEKFUJEJFT-BFQNTYOBSA-N 271.360 3.848 30 20 CHED C[C@H](OC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 1524302453 PRHWSBKTGBYYIY-WIRVQXDCSA-N 283.371 3.989 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N(C)[C@H](C)c1ccco1 1520373098 TVBSOHDZBWSHLM-CYBMUJFWSA-N 298.390 3.688 30 20 CHED C=CCC[C@@H](CC)Nc1cc(C(=O)O)cc(OC)c1OC 1602856650 DZMOPYBDDBRJCJ-GFCCVEGCSA-N 293.363 3.559 30 20 CHED Cc1ccnc(NN=C2CCC[C@H](CCCC(=O)O)C2)c1 1600600824 UTDNNUXQCCVDPN-CYBMUJFWSA-N 289.379 3.603 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)cc2F)C1 1530481478 ZMEWYQBUPNOBHI-KBPBESRZSA-N 288.366 3.642 30 20 CHED O=C(O)c1cccc(NN=C2CCCCCC2)c1F 1610849021 XWIZMQQRCYVZBX-UHFFFAOYSA-N 264.300 3.646 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 1475823479 GUZNGYHKQDOETA-LSDHHAIUSA-N 285.391 3.896 30 20 CHED CO[C@@H](CNc1cc(C)cc(C#N)c1)Cc1ccccc1 1621390096 JJKLHDIBECDWTI-GOSISDBHSA-N 280.371 3.536 30 20 CHED N#Cc1ccc(CSc2ccc3[nH]ncc3c2)cc1 1559424751 YHRNFCHARVEBAN-UHFFFAOYSA-N 265.341 3.727 30 20 CHED CCc1ccc(F)cc1C(=O)N(CCC#N)CCC(C)C 1628457436 XWAZZVZJSIWSLJ-UHFFFAOYSA-N 290.382 3.790 30 20 CHED N#Cc1cccc(CN[C@H](C2CCCCC2)C2CCC2)n1 1621407871 KQNDYWONOHQTEZ-GOSISDBHSA-N 283.419 3.792 30 20 CHED CC[C@@H](Nc1cc(C#N)nc(C)n1)c1cc(C)ccc1C 1559257768 DXHSRFAGBTZZIZ-MRXNPFEDSA-N 280.375 3.837 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCC[C@H]2CCC(C)C)n1 1639423309 ZJUIYPXRZHPQQF-DZGCQCFKSA-N 272.396 3.674 30 20 CHED N#CCc1ccccc1C(=O)Nc1nccc2ccccc12 1636555233 ZXILISDLRRJADL-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C[C@@H](CCSc1ccccc1)N1CCC[C@H](C#N)C1 1644439992 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1673532762 VBHSILOIBWFDRB-UHFFFAOYSA-N 280.331 3.523 30 20 CHED CCc1ccc(CN(C)c2cccc(F)c2C#N)cc1 1639160585 VECPJVVKLWLCPE-UHFFFAOYSA-N 268.335 3.896 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1cc(C)ccc1O 1776086407 SNHBYPXQSYPNBI-UHFFFAOYSA-N 298.342 3.543 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CCCc3sccc32)cc1 161175331 KAVCOBMZQDNBMW-CQSZACIVSA-N 297.383 3.819 30 20 CHED CC(C)(C)C1=CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 162483526 HGMNJBDHFRVEAE-UHFFFAOYSA-N 285.347 3.649 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1cccc(OC)c1 206089269 SJTNFXFODXMWOT-QXMHVHEDSA-N 282.339 3.990 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc(F)cc2F)CC1 152971474 YVUPHBRMFBKXNX-ZDUSSCGKSA-N 294.389 3.656 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 153549236 OXLRLLRGCGWXDK-SNVBAGLBSA-N 286.297 3.594 30 20 CHED Oc1ccc2ccccc2c1/C=N/[C@@H]1CCO[C@@H](C2CC2)C1 154223610 MIYOPCPGLSQXPJ-SRKDWSFESA-N 295.382 3.922 30 20 CHED C=CCN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C 159871271 HBHIQDNHJVHSEG-NSHDSACASA-N 288.416 3.964 30 20 CHED C=CCCCCCCCN[C@H]1CCCn2ccnc21 848550044 BAKKTPQIMLZQMU-HNNXBMFYSA-N 261.413 3.834 30 20 CHED CN(c1nc(C(C)(C)C)ccc1C#N)C1CC(C)(C)C1 1655550766 JJKHACRLTWLPDT-UHFFFAOYSA-N 271.408 3.876 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 902916821 DFUUYBDFCVUWOY-VIFPVBQESA-N 298.173 3.761 30 20 CHED C=CCC1(NC(=O)c2cc(C)cnc2Cl)CCCC1 1119486307 YEWCZQYDWXDIMX-UHFFFAOYSA-N 278.783 3.662 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 235189474 OPETWIAVDWRNRY-VXGBXAGGSA-N 291.376 3.553 30 20 CHED CCCc1sc(C(=O)NCCCCC#N)cc1CC 171509487 CZOITIFTUJUNTE-UHFFFAOYSA-N 278.421 3.687 30 20 CHED FC(F)(F)c1ccc(C#CCNC2CCCC2)cc1 177715118 NZVNOLKMCFIQAI-UHFFFAOYSA-N 267.294 3.589 30 20 CHED C#CCCCCC(=O)Nc1ccc(C(F)(F)F)cc1 179662341 ZYMXYVIDJFIUEF-UHFFFAOYSA-N 269.266 3.838 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(F)c2F)cc1Cl 54190262 DMXPWGYBLDTDSU-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCOCCCN[C@@H](C)c1ccc(Cl)cc1 459790319 YMXFKDJPWOXNCE-LBPRGKRZSA-N 253.773 3.583 30 20 CHED N#Cc1ccc(CC(=O)Nc2ccc(Cl)cc2F)cc1 70158535 WKFAKSXOCCMMRT-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(C#N)cc1 339133507 DBSIAYPUBBXEHG-SNVBAGLBSA-N 282.734 3.651 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H](C)Cn1ccnc1C 657868643 CHUQWCRAEKVZGW-UAGQMJEPSA-N 275.440 3.552 30 20 CHED C=CCCS(=O)(=O)N[C@H](c1ccccc1)C(CC)CC 480927687 KWMXONYSAMQQOJ-INIZCTEOSA-N 295.448 3.659 30 20 CHED C=CCCSCCN[C@H](C)c1ccccc1F 594709290 FLPSDDCNOUFBFU-GFCCVEGCSA-N 253.386 3.786 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC)c(Cl)c1 393749605 BBCGROSFYSKQNW-GFCCVEGCSA-N 253.773 3.793 30 20 CHED Cc1cc(C)c(CN2CCC(CC#N)CC2)c(C)c1 397213519 FKGPXNHBQUXAND-UHFFFAOYSA-N 256.393 3.738 30 20 CHED COc1ccccc1[C@H]1CCCN1CC1(C#N)CCC1 450351325 SIHJGYZBZKRBTO-OAHLLOKOSA-N 270.376 3.526 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2cc(C)ccc2o1 58091354 ZQZUIWZFTGYEJG-UHFFFAOYSA-N 257.333 3.779 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1ncccc1C#N 52324861 KOZRGQXVFBCDGE-CQSZACIVSA-N 281.359 3.980 30 20 CHED CCCCCCCC(=O)Nc1sccc1C(=O)O 59082230 SWJARPQLDLDTTE-UHFFFAOYSA-N 269.366 3.745 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(F)cc1C#N)C(C)C 177587895 NITYBEVMLUBIEZ-NSHDSACASA-N 262.328 3.708 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1ccc(O)c(F)c1 170851837 HDTUYDUUYCUQNL-FNORWQNLSA-N 278.229 3.706 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccccc2)cc1 107318639 IOOJPMBVPJVKBE-HUUCEWRRSA-N 280.371 3.828 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2)o1 176852821 HLNLKKQZHVZFEK-CSKARUKUSA-N 284.311 3.661 30 20 CHED CCN(CC#N)C(=O)c1sccc1-c1ccc(C)cc1 68915980 HFDVJDZPCSSVKP-UHFFFAOYSA-N 284.384 3.709 30 20 CHED Cc1ccc(C[C@H](C)Nc2ccc(C#N)cn2)c(C)c1 301216581 ZSNUQTAEZUNJKJ-AWEZNQCLSA-N 265.360 3.613 30 20 CHED N#CC1(CC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1 1352043609 MTHQRKWYLCWYAB-HRCADAONSA-N 288.435 3.793 30 20 CHED Cc1ccccc1C[C@H](C)NCc1cccc(OCC#N)c1 119739852 SJXRNXPXHDAYOK-INIZCTEOSA-N 294.398 3.618 30 20 CHED COc1ccc([C@H](C)CCNc2ccc(C#N)nc2)cc1 301573761 SBPWEZSMDMVEIJ-CYBMUJFWSA-N 281.359 3.568 30 20 CHED C=CCN(CCCCCn1cccn1)Cc1cccs1 68456374 BSHPBNWHWASAJC-UHFFFAOYSA-N 289.448 3.803 30 20 CHED N#Cc1cccc(C#N)c1N1CCc2ccc(Cl)cc21 302892919 QBJZAIVDBKVMMS-UHFFFAOYSA-N 279.730 3.778 30 20 CHED Cc1ccc2cc(C(=O)Nc3cc(C#N)ccc3C)[nH]c2c1 64070583 SGHJTRDYSAZTJL-UHFFFAOYSA-N 289.338 3.909 30 20 CHED O=C1/C(=C/c2cccs2)CCOc2ccc(F)cc21 23174984 XRYSGPFOJWQQGS-CSKARUKUSA-N 274.316 3.936 30 20 CHED N#Cc1c(F)cccc1Oc1c(F)cc([N+](=O)[O-])cc1F 301843001 KIAXGEQEFIGXPM-UHFFFAOYSA-N 294.188 3.676 30 20 CHED Cc1nsc(NCC(C)(C)c2cccs2)c1C#N 126387177 RUCBHSMUUBXCDS-UHFFFAOYSA-N 277.418 3.774 30 20 CHED C=CCCC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C 176046019 ZHSWHBLLLDGNCP-JTQLQIEISA-N 292.766 3.797 30 20 CHED Cc1csc(CCCNc2ccc(F)cc2C#N)n1 301403863 KNVSJQFMOCNQKP-UHFFFAOYSA-N 275.352 3.507 30 20 CHED N#Cc1ccccc1Oc1ccnc(-c2ccccc2)n1 68427791 STPNHGAINZQRAP-UHFFFAOYSA-N 273.295 3.808 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 303049134 IUFCNDKFNZRNDO-YESZJQIVSA-N 299.389 3.614 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccc(C#N)c(Cl)c1 185806151 GPZNPLZRQZUGNR-QMTHXVAHSA-N 291.782 3.864 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 188472729 UAGKYWNMLDAFNG-KBXCAEBGSA-N 297.402 3.652 30 20 CHED CCc1oc2ccccc2c1C(=O)N(CC)C[C@@H](C)C#N 120225217 SFCJRHIPLXHXQO-LBPRGKRZSA-N 284.359 3.617 30 20 CHED C[C@@H](CC(=O)OCC1(C#N)CCC1)c1ccccc1F 183865305 FNCZWQGGVBTZKP-LBPRGKRZSA-N 275.323 3.556 30 20 CHED CC#CCCCC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 185647200 PWYUTXQXZPZHEF-UHFFFAOYSA-N 283.415 3.988 30 20 CHED C=CCSCCN[C@H]1CCCc2sccc21 129345619 GIMRFUVVGIPHNL-LBPRGKRZSA-N 253.436 3.634 30 20 CHED C=CCCCN[C@@H](C[C@H]1CCOC1)c1ccccc1 181214679 UUEUHJAOXSOCDD-WBVHZDCISA-N 259.393 3.710 30 20 CHED C[C@@H](Nc1ccc2c(c1)OCCO2)c1cccc(C#N)c1 37201174 ADFIPLYDAZBBFC-GFCCVEGCSA-N 280.327 3.503 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 186624721 PFCHIAWTRUGNQR-MLGOLLRUSA-N 288.416 3.729 30 20 CHED C[C@H](c1c(F)cccc1F)N(C)Cc1ccc(C#N)o1 507252164 LXNHXNLCUMIUSG-SNVBAGLBSA-N 276.286 3.622 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1cccc(Cl)n1 75673936 ZAGOUFULCLICQQ-UHFFFAOYSA-N 288.753 3.510 30 20 CHED CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC)c1ccccc1 503265006 MGMQPYNNKVFZEO-OAHLLOKOSA-N 293.370 3.732 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(OC)c(OC)c2)c1 33410973 LABXLRQBRJUXNG-CLFYSBASSA-N 298.338 3.609 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(F)cc2)c1 33410959 ISKRMQFOKPOZFL-YHYXMXQVSA-N 256.276 3.730 30 20 CHED C[C@H](O)CCCOc1ccc(Oc2ccc(C#N)cc2)cc1 418889923 BTQQQQGCKVSYFK-AWEZNQCLSA-N 297.354 3.890 30 20 CHED C#Cc1cccc(NC(=O)Nc2cc(C)c(O)c(C)c2C)c1 189723923 CQCOAVOPFDEMKK-UHFFFAOYSA-N 294.354 3.943 30 20 CHED N#CC1(CNCc2cccc(-c3cccnc3)c2)CCC1 418142651 NHWYCHABNHFMJM-UHFFFAOYSA-N 277.371 3.532 30 20 CHED C=CCN(C(=O)C1=C(c2ccccc2)CCC1)C1CC1 410663075 MVIMFGPNONGVAG-UHFFFAOYSA-N 267.372 3.801 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)N[C@H](C#N)c1ccccc1Cl 410636532 AJRKXVXAJAXWJT-DJSGYFEHSA-N 290.794 3.847 30 20 CHED C=CCC[C@H](N[C@H](C)[C@@H]1CCOC1)c1ccccc1 181507947 NJRZAHCHFXBFHW-OIISXLGYSA-N 259.393 3.709 30 20 CHED C=CC[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccccc1 186500189 JJDUCRWQJCNAAG-SFHVURJKSA-N 290.366 3.534 30 20 CHED C#Cc1cccc(N(C(=O)c2cccc(C#N)c2)C(C)C)c1 77293966 SRPBLYPIBKVZOT-UHFFFAOYSA-N 288.350 3.595 30 20 CHED C=CCCC(=O)Nc1n[nH]c(C)c1-c1cccc(Cl)c1 76783901 GZKDMUNVTXZHNF-UHFFFAOYSA-N 289.766 3.943 30 20 CHED CO[C@@H]1Cc2ccccc2N([C@H](C)c2ccc(C#N)cc2)C1 502508216 COMAHJOZNUQBDM-RDTXWAMCSA-N 292.382 3.697 30 20 CHED O=C(/C=C/c1cncs1)c1cccc(OC(F)(F)F)c1 130071509 KOKBYLVTJHNRND-SNAWJCMRSA-N 299.273 3.938 30 20 CHED C[C@@H](NCCCSCC#N)c1ccc2c(c1)CCCC2 181938728 KRIWYJQJBCKGMN-CQSZACIVSA-N 288.460 3.863 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(COC)cc1 181420662 FCUSEKCORRHRNZ-UHFFFAOYSA-N 296.370 3.715 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@]2(C)CC=CCC2)cc1 410867487 ZSVMMVJPYPCSBL-WMZOPIPTSA-N 282.387 3.676 30 20 CHED C[C@@H]1CC[C@@H](Nc2c(C#N)nnc3ccccc23)[C@H](C)C1 85920579 APVAYDFDULLLOX-YRGRVCCFSA-N 280.375 3.738 30 20 CHED N#CC1(CNCc2ccccc2OC2CCCC2)CCC1 418144319 SPCJRSSJGJSYIO-UHFFFAOYSA-N 284.403 3.791 30 20 CHED N#Cc1cnc(NC[C@@H]2CCCCC(F)(F)C2)c(F)c1 413306064 UIVAZHIJAHVBJY-SNVBAGLBSA-N 283.297 3.720 30 20 CHED Cc1csc(CSCc2ccc(C#N)cc2F)n1 88308957 QPRZPFFGCBLAFW-UHFFFAOYSA-N 278.377 3.896 30 20 CHED CC[C@]1(C)Oc2ccc(N=C(O)C[C@H]3CCOC3)cc2O1 329991154 JQCJMKHVHDRZBV-BDJLRTHQSA-N 291.347 3.599 30 20 CHED Cc1cccc(NCc2nnc(-c3ccc(C#N)cc3)o2)c1 133001816 UIUCUGYIUQRZKI-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CCn1cc(/C=C2/C[C@H](C)c3ccccc3C2=O)cn1 131150428 CNSZHJWRLLYZTQ-CJAAZZPWSA-N 266.344 3.677 30 20 CHED N#Cc1ccccc1C(=O)/C=C/C1=Cc2ccccc2OC1 194585952 IQNSVNKGBDDWQD-MDZDMXLPSA-N 287.318 3.773 30 20 CHED C/C(O)=N/[C@H](/C(O)=N/C[C@@H]1CCCSC1)C1CCCC1 329275528 BQFKEZBYPSQSRY-JSGCOSHPSA-N 298.452 3.621 30 20 CHED C=CC[C@@H](C(=O)N1CCS[C@H](C)CC1)c1ccccc1 191367275 YPLNMMFZMWOVNP-GDBMZVCRSA-N 289.444 3.700 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1F 41543360 ICQLKPPCVOGYBS-GFCCVEGCSA-N 294.285 3.765 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1CCCSCC#N 514662663 KXRAWCDYLIGBAR-KGLIPLIRSA-N 268.470 3.780 30 20 CHED C[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 192986325 GUKVZWQAJKRFBH-QWHCGFSZSA-N 294.354 3.699 30 20 CHED C=CCC1(C(=O)N2CCc3c(C#N)cccc32)CCCC1 421658534 SZWGJQXAJXPIKY-UHFFFAOYSA-N 280.371 3.584 30 20 CHED CC1(C)CCCC[C@@H]1/C(O)=N/Cc1nnc(C2CC2)o1 329381605 OBRRIGVYLUVWOK-LLVKDONJSA-N 277.368 3.620 30 20 CHED C=CC[C@@H](CC)NCc1cc(O)ccc1Br 381338291 WNZJFLDXQMSGQW-LLVKDONJSA-N 284.197 3.599 30 20 CHED Cc1ccc(CCCN(C)[C@H](C)c2cccc(C#N)c2)cn1 425365983 NQLCXTCTFMSYLE-MRXNPFEDSA-N 293.414 3.887 30 20 CHED Cc1cc(C#N)ccc1CSCC[C@H]1CCCO1 190154115 HWBKQNYMGKPFCO-OAHLLOKOSA-N 261.390 3.669 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H]2CCC[C@H]21)c1ccccc1 428167465 QQTTUKIVLNDFLE-HYVNUMGLSA-N 269.388 3.747 30 20 CHED CC[C@@H](C#N)OC(=O)C[C@H](c1ccccc1)C(F)(F)F 84712387 VVSWPVUQZHSCOI-NWDGAFQWSA-N 285.265 3.568 30 20 CHED C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 331776222 LHIUSXQCBLBUFN-SZOQZIPDSA-N 297.402 3.616 30 20 CHED CCN(C(=O)c1sccc1C#N)c1ccccc1Cl 334272482 XHPDSTFMQVZAKF-UHFFFAOYSA-N 290.775 3.940 30 20 CHED C=CCC1(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CCC1 191848554 CNVNXWJMHKDLAN-CABCVRRESA-N 261.409 3.914 30 20 CHED CC(C)(C#N)CCCCN1CCc2sccc2C1 232531953 GOBUUBWLJJYOEE-UHFFFAOYSA-N 262.422 3.826 30 20 CHED C/C(=C\c1ccc(C(C)C)cc1)c1nc(C)c(C#N)c(=O)[nH]1 193610011 YVUDRRMZYWMPBE-FMIVXFBMSA-N 293.370 3.634 30 20 CHED CC(C)(C)c1csc(NC(=O)[C@@H]2CCSC2)c1C#N 334809690 AJGXLMPBLPFZPR-SECBINFHSA-N 294.445 3.609 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1CCCC[C@@H]1CC 330786772 NWMDDDWXEUEHKJ-WCQYABFASA-N 264.369 3.819 30 20 CHED C=C(C)COC(=O)c1cc(Cl)ccc1Br 97150397 MBGUVIRBMWVGIW-UHFFFAOYSA-N 289.556 3.835 30 20 CHED Cc1csc(C(=O)Nc2cccc(C#N)c2)c1Cl 235967201 MGSZZLHEXABOGY-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C1 333761217 PFSZHKWNFXCPNT-KDOFPFPSSA-N 288.435 3.793 30 20 CHED CCCC[C@@H](C)C(=O)N(CCC#N)CCC(C)C 337505055 YQZILPKLIBESHL-CQSZACIVSA-N 252.402 3.601 30 20 CHED C/N=C(/O)c1ccc(OC)c(NC[C@@H]2CCCC[C@H]2C)c1 330791639 BJHDBEWMGMNMMQ-OCCSQVGLSA-N 290.407 3.868 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N[C@@H]3CCC[C@@H]3C#N)oc12 331752017 GVQKCAHINKJWLH-ZIAGYGMSSA-N 296.370 3.780 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1O 436819135 CPJNZUQWKMALTD-AWEZNQCLSA-N 273.376 3.696 30 20 CHED Cc1nn(Cc2sc3ccccc3c2Cl)cc1C#N 439206106 PWPWWOADGLXURO-UHFFFAOYSA-N 287.775 3.980 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H](C)c1ccccc1 337758420 NHSCGEBFZWAJOK-CQSZACIVSA-N 278.355 3.700 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@@H](C)CCC[C@@H]1C 337943420 FZVPDYGZMFCXRE-STQMWFEESA-N 270.376 3.517 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H]1C1CCCC1 432560889 VXDFOVGYMVFSGP-HNNXBMFYSA-N 278.440 3.953 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@H](CC)C2)CC1 524889883 ZPQGWZFJJIVTCW-GJZGRUSLSA-N 264.413 3.563 30 20 CHED Cc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1 93492410 CBCCDYCGGBAOTD-GFCCVEGCSA-N 256.374 3.779 30 20 CHED C[C@@H](CSCc1ccc(C#N)cc1)C(F)(F)F 439033384 KZLKGERELNIDKR-VIFPVBQESA-N 259.296 3.990 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1C 435158182 IQTCEMUHLGPUMG-CPUCHLNUSA-N 296.414 3.531 30 20 CHED CCn1ccnc1[C@@H]1CCCCN1CCCC(C)(C)C#N 439003070 RQPOOVJOQGWTEM-HNNXBMFYSA-N 288.439 3.760 30 20 CHED CCN(Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)C(C)C 245571813 YBMYVKQRJGGPFB-LSDHHAIUSA-N 274.408 3.844 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1ccccc1 246181440 JHPJKVXSUOWWMT-ULQDDVLXSA-N 269.388 3.856 30 20 CHED Cc1ccc(C#N)c(NCC2(c3ccncc3)CCCC2)n1 342936015 CWBCYTDMJUADNZ-UHFFFAOYSA-N 292.386 3.581 30 20 CHED Cc1oc2ccccc2c1CNC(=O)c1ccc(C#N)s1 341968803 ZICZJGBOGUKNEG-UHFFFAOYSA-N 296.351 3.604 30 20 CHED CC(C)(CCC#N)CNC(=O)C/C=C\c1ccccc1F 345883158 KECJMFBKQJYNMX-YVMONPNESA-N 288.366 3.675 30 20 CHED CSc1c(F)cccc1NC[C@@H](C)CCC#N 602708304 ZKFJNWQFPJGUDV-JTQLQIEISA-N 252.358 3.899 30 20 CHED CC/C=C/CCn1cc(CC2(C#N)CCCCC2)nn1 603224255 OJLJTYDCRDOSFG-ONEGZZNKSA-N 272.396 3.651 30 20 CHED C[C@H](NCc1ccsc1)c1ccc(C#N)c(F)c1 346147893 CCPBBWJOJBZAES-JTQLQIEISA-N 260.337 3.610 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)cs1 298140700 XZUUBMGZFSBCKE-UHFFFAOYSA-N 264.394 3.601 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)[C@H](C#N)CCc1ccccc1 433217358 AEPVQQODDDXGJL-ZBFHGGJFSA-N 296.370 3.572 30 20 CHED C=CCCCCCN(C)C(=O)Cn1ccc2ccccc21 606815034 LJFWHPTUTVTVNO-UHFFFAOYSA-N 284.403 3.846 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(Cc2ccccc2)CC1 604900979 NGMDZIHVNCDQML-OAHLLOKOSA-N 286.419 3.615 30 20 CHED CCc1ccc([C@H](C/N=C\c2ccccc2O)N(C)C)cc1 255517982 BENDTXBPEMNUCP-YNGKYYQNSA-N 296.414 3.676 30 20 CHED C[C@@H](ON=Cc1cccs1)c1nc(-c2ccccc2)no1 255622163 DDTZUKSXCXLUHU-LLVKDONJSA-N 299.355 3.910 30 20 CHED C=CCCN(Cc1ccc2c(c1)OCO2)C1CCCC1 606896399 SUTJGYDSSITKPV-UHFFFAOYSA-N 273.376 3.736 30 20 CHED COc1cc(/C=C2\CCc3cc(F)ccc3C2=O)ccc1O 255359898 OUHCECKRJLSCTD-MDWZMJQESA-N 298.313 3.752 30 20 CHED CCN(CC)Cc1ccc(NC[C@@H](C)CCC#N)cc1 602631313 SNIGMUWJCBZDNF-HNNXBMFYSA-N 273.424 3.880 30 20 CHED COCCCOc1ccccc1N=Cc1ccccc1O 255831889 UYCVWMSLSMFZJP-UHFFFAOYSA-N 285.343 3.558 30 20 CHED C[C@H](NC(=O)c1ccccc1CC#N)[C@H](C)c1ccccc1 601273264 RYHOXGPMPXUBKG-GJZGRUSLSA-N 292.382 3.675 30 20 CHED CCc1cnccc1C(=O)Nc1sc(C)c(CC)c1C#N 347712054 XDOLXFHXPJOOML-UHFFFAOYSA-N 299.399 3.700 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cnc3ccccn23)c1 255231738 GIPPETQGNWYJLL-SREVYHEPSA-N 276.339 3.847 30 20 CHED C=C(CNC(=O)CCC(=O)c1cccs1)c1ccccc1 345856852 PLYSQTGARZTHDW-UHFFFAOYSA-N 299.395 3.541 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1 255723887 QDNGXTJKNYZGRQ-ALCCZGGFSA-N 257.720 3.940 30 20 CHED COc1cc(C#N)ccc1OCCSCCC(C)C 524887365 SFMMWWYNLWNRGI-UHFFFAOYSA-N 279.405 3.725 30 20 CHED Cc1ccc(CCNC2CCC(C)(C#N)CC2)cc1 449142360 NTAQEPMHUJQFMF-UHFFFAOYSA-N 256.393 3.600 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(COc3ccc(C#N)cc3)n2)C1 356184770 DZCGLLFGJKAAKJ-TZMCWYRMSA-N 297.358 3.814 30 20 CHED C=CCCCc1nc(-c2cc(OC3CCC3)ccn2)no1 357477644 BMFOUQJMOCMUOH-UHFFFAOYSA-N 285.347 3.572 30 20 CHED N#Cc1cc(CNc2cc3c(cc2Cl)CCC3)ccn1 530123506 OCNREBLPILCPGV-UHFFFAOYSA-N 283.762 3.707 30 20 CHED C=CCOc1cccc(NC(=O)CC2CC(F)(F)C2)c1 449806546 RSPXLEDOGMDLLH-UHFFFAOYSA-N 281.302 3.625 30 20 CHED CC[C@@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)(C)C 609240194 SQTCMWWYAKAHFQ-IUODEOHRSA-N 287.407 3.743 30 20 CHED CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 609091460 VKVRFSQNPIXCQY-KRWDZBQOSA-N 293.370 3.582 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](CCC)C1 539390681 VKTYHFZBSQZENF-HUUCEWRRSA-N 266.429 3.953 30 20 CHED CC(C)N(CCC#N)Cc1ccc2c(c1)CCC(C)(C)O2 535786860 YGRYTBWOHPXTOZ-UHFFFAOYSA-N 286.419 3.914 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 444881599 UPWTXIOVVZHNHM-KOLCDFICSA-N 277.755 3.522 30 20 CHED CC(C)(C#N)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F 611617861 IVVFOQVWPGWCSM-UHFFFAOYSA-N 287.241 3.575 30 20 CHED Cc1cc(CNc2cnc3c(c2)CCCC3)ccc1C#N 443985667 IBBSOLYCKGOHFS-UHFFFAOYSA-N 277.371 3.753 30 20 CHED COCCN(Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 351590537 WLJPKGNHDFZFSU-INIZCTEOSA-N 294.398 3.768 30 20 CHED CC(C)CN(C)CC#Cc1ccc(OC(F)(F)F)cc1 446758772 LHOOHRIGOOSLPL-UHFFFAOYSA-N 285.309 3.525 30 20 CHED C=CCOCCCOc1ccccc1OC(F)(F)F 358565368 UWAYQGHXWFGNEY-UHFFFAOYSA-N 276.254 3.557 30 20 CHED Cc1cc(C)c(CN2CCC[C@](C)(C#N)C2)cc1C 612406113 ILLOEWKISLPHRU-QGZVFWFLSA-N 256.393 3.738 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C\c1ccc(Cl)s1 357568065 OSNMRTSKBDDMFH-DJWKRKHSSA-N 290.731 3.537 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)C1 531555211 MEMRHIPCZXWGOE-ZHTDJMBKSA-N 296.414 3.855 30 20 CHED CC(C)(C)OCCCCNc1ccc(F)c(C#N)c1 352542908 WWQSSIUAOWNSCD-UHFFFAOYSA-N 264.344 3.705 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(NC(=O)OC)c1 268173634 QXNABUYUGCLHHE-UHFFFAOYSA-N 288.347 3.572 30 20 CHED CC(C)c1cnc(NC(=O)NCC(C)(C)CCC#N)s1 351694923 SIBYECXRDKUBAA-UHFFFAOYSA-N 294.424 3.718 30 20 CHED N#Cc1ccc(Oc2ccc3cccnc3c2)c([N+](=O)[O-])c1 359857136 OYTAUQODPDKHMU-UHFFFAOYSA-N 291.266 3.807 30 20 CHED COc1ccc(C[C@H](C)CN(C)CCC(C)(C)C#N)cc1 538514739 PQYPIPGIRCNIHU-HNNXBMFYSA-N 288.435 3.745 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(OCC#N)cc1 264135919 NLGLZEZETMJAJA-AWEZNQCLSA-N 298.361 3.921 30 20 CHED C=CCCCNc1ccc(Cl)c(C(=O)OC)c1 610132146 NSWBXGGITACNKX-UHFFFAOYSA-N 253.729 3.505 30 20 CHED N#CCc1ccc(C(=O)NCCCCc2ccccc2)cc1 611143242 OGYRAFWGXFYQJN-UHFFFAOYSA-N 292.382 3.505 30 20 CHED CCO[C@@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)C12CCCC2 538395430 AZWBBRLTSVYBED-BMGDILEWSA-N 298.430 3.947 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](C)C2CCCC2)s1 610550838 ZGXIBUGSJVCTIM-SNVBAGLBSA-N 276.405 3.947 30 20 CHED N#Cc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)s1 611268277 IXICSDQCFNBOSL-QGZVFWFLSA-N 298.411 3.583 30 20 CHED C[C@H](NCCCCC#N)c1nc2ccccc2n1C(F)F 264169408 YNUUMUPEVZKDFF-NSHDSACASA-N 292.333 3.776 30 20 CHED C=C(CC)CNC(=O)Nc1cc(SC)ccc1C 455071143 JAOFBCJXXPXFLP-UHFFFAOYSA-N 264.394 3.805 30 20 CHED Cc1cn2nc(N[C@H](CCC#N)c3ccccc3)sc2n1 269681746 ILAZQLQWHXFSOV-CYBMUJFWSA-N 297.387 3.556 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1 454174081 PESQEENCLLUWSV-CQSZACIVSA-N 285.391 3.848 30 20 CHED Cc1cc(C(=O)N2CCC[C@](C)(C#N)C2)c(C)cc1Cl 619442803 VKKIEYXCIUZSCY-MRXNPFEDSA-N 290.794 3.723 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@@H](C(C)(C)C)C1)C1CC1 536834715 SZWSOEZEJMLVGT-OWCLPIDISA-N 265.441 3.915 30 20 CHED CC(C)(C#N)CNCc1csc(-c2ccsc2)n1 612585241 TZQYJXLHUDGJDA-UHFFFAOYSA-N 277.418 3.511 30 20 CHED CCN(C[C@H](C)C#N)C[C@H](C)CCc1ccccc1 537207016 NSAXIRLRMOVQJW-HZPDHXFCSA-N 258.409 3.737 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccccc1NC1CCCCC1 530368418 DGQKKSCXTUOUGL-CQSZACIVSA-N 299.418 3.663 30 20 CHED N#Cc1cccc(N2CCC[C@H]2CC2CCCCC2)n1 533683965 GOSZUQDVBRTYMB-INIZCTEOSA-N 269.392 3.892 30 20 CHED COCCN(Cc1ccc(C#N)cc1C)[C@@H]1CC[C@@H](C)C1 616873180 XPKJLPBZAQPGEC-RDTXWAMCSA-N 286.419 3.504 30 20 CHED C=CCC1(C(=O)N2CCO[C@@H](CCC)C2)CCCCC1 450274990 DDMKWCLIMBCCER-HNNXBMFYSA-N 279.424 3.541 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)[S@](=O)CCC(C)(C)C#N 616184066 PYSSNZZGXVNICY-APBUJDDRSA-N 285.359 3.714 30 20 CHED CCC[C@@H](CC)NC(=O)c1ccc(Cl)c(C#N)c1 541605952 HXUBKINUJPXCBV-GFCCVEGCSA-N 264.756 3.520 30 20 CHED CC(C)(C)C1=CCN(C(=O)c2ccc(CC#N)cc2)CC1 270376065 CQJFVOBMBCBNMR-UHFFFAOYSA-N 282.387 3.571 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N 452683771 OGDQDDBYLFLLSR-LSDHHAIUSA-N 298.386 3.720 30 20 CHED CC[C@H](NC[C@]1(C)CCO[C@@H]1C1CC1)c1ccc(C#N)cc1 365804359 DVDDRARUVNGMPS-OTWHNJEPSA-N 298.430 3.804 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(OCCC)cc1C 451117068 STXHBMPYMKLMGX-UHFFFAOYSA-N 275.392 3.612 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccccc1SCC 453335538 AHNREVQPZKUTRB-KBPBESRZSA-N 279.449 3.776 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(C2CC2)cc1 459546284 UGHNRDOLBRAERL-MSOLQXFVSA-N 271.404 3.635 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 454665274 JHKBKVHPHXBDJR-XPTSAGLGSA-N 296.773 3.804 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1c1ncccc1C#N 450911407 KYRVYTHTIMESHS-MRXNPFEDSA-N 281.334 3.742 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCO[C@H](C(C)(C)C)C1 540144907 UEMSKSVKSANIDC-ZNMIVQPWSA-N 253.430 3.915 30 20 CHED C[C@H]1CC(C(=O)N(CCC#N)Cc2ccco2)C[C@H](C)C1 272667203 JGGDKZDCTHJHKN-ZIAGYGMSSA-N 288.391 3.594 30 20 CHED C[C@H](NCCc1ccc(F)cc1)c1ccc(C#N)c(F)c1 540701194 BODDGHZVYIHCJG-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OCCC)c(OC)c1 627137955 DEFHSIULPHYGCS-UHFFFAOYSA-N 292.379 3.572 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)NCC(C)(C)CC#N 457988358 CGYZAMGIMYLTAV-OAHLLOKOSA-N 286.419 3.701 30 20 CHED C=C(C)CCNC(=O)Nc1cc(C(F)(F)F)ccc1F 454686885 FLDWMBLBSDAYIP-UHFFFAOYSA-N 290.260 3.932 30 20 CHED C=CCC1(C(=O)N2Cc3cccc(OC)c3C2)CCCC1 629111659 GXQCFPXBZZFTSU-UHFFFAOYSA-N 285.387 3.674 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(C)c(F)c1 540489769 GFKHKJXKXNGYMY-CYBMUJFWSA-N 278.371 3.678 30 20 CHED C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)[C@H]2CCCC[C@@H]12 542975774 RFPKXEIJHXSYBC-PVUWLOKVSA-N 272.367 3.708 30 20 CHED C=CCCC(C)(C)NC(=O)CCCc1nc2ccccc2[nH]1 620863054 DIYDDRFDPOLFKF-UHFFFAOYSA-N 299.418 3.747 30 20 CHED N#CCCCNC(=O)CCCc1csc2ccccc12 273017464 KJHMDXZVSGBVEL-UHFFFAOYSA-N 286.400 3.644 30 20 CHED CCc1noc(CC)c1CN[C@@H](CC)c1ccc(C#N)cc1 278877594 XMOQKOUNBBKFSA-INIZCTEOSA-N 297.402 3.912 30 20 CHED Cc1cccc(N(C)C(=O)[C@H](C)c2cccc(C#N)c2)c1C 463456304 GGLSRFUKBLRCRG-OAHLLOKOSA-N 292.382 3.942 30 20 CHED CC[C@H](N[C@@H]1CCN(C2CCCC2)C1)c1ccc(C#N)cc1 370053286 NEQIAMZZGAZREW-MJGOQNOKSA-N 297.446 3.616 30 20 CHED C=C[C@H](C)NC(=O)NCC(CC)(CC)c1ccccc1 464755160 HEKCVOXZSUNMEM-AWEZNQCLSA-N 274.408 3.618 30 20 CHED N#Cc1ccc(N2CCC(c3c(F)cccc3F)CC2)nc1 372262888 TUMXBAUQCMUELS-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@](C)(CCC)C1 466406968 VVWNGPKXEXVREO-HOCLYGCPSA-N 266.429 3.953 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2cc(C)c(C)o2)o1 282313615 XWOZBWRUUAMPRW-FNORWQNLSA-N 288.299 3.562 30 20 CHED C[C@]1(CCc2ccccc2)CCN(c2ccnc(C#N)c2)C1 553446881 VRJPRSGHWPRQFF-IBGZPJMESA-N 291.398 3.802 30 20 CHED CC[C@H](C)CCC(=O)N[C@](C)(C#N)C1CCCCC1 552188022 PLNHFARWSYOKFQ-XJKSGUPXSA-N 264.413 3.791 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 285567813 GKWVRJBFVZVQCX-FZMZJTMJSA-N 276.767 3.520 30 20 CHED Cc1cc(OCc2nnc(C(C)C)o2)c(C)c(C)c1C#N 285147121 LLDVWPAPMUHKFH-UHFFFAOYSA-N 285.347 3.569 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 280563531 GBFNFBBHSUCQLT-ZDUSSCGKSA-N 296.370 3.556 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 281618490 NNYLTAPQWSONAL-JSGCOSHPSA-N 293.407 3.718 30 20 CHED C=CCC(C)(C)C(=O)NCC1(CC(C)C)CCC1 551807545 IDJUZPTUNGCUPA-UHFFFAOYSA-N 251.414 3.921 30 20 CHED C=Cc1ccc(CCNc2ccc([N+](=O)[O-])c(C#N)c2)cc1 461863487 GBRNPIFBXHIKHI-UHFFFAOYSA-N 293.326 3.764 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 465121736 PWRBZWUUCRZOPR-UONOGXRCSA-N 275.392 3.576 30 20 CHED CC#CCCCC(=O)Nc1cccc(NC(=O)CCC)c1 464438438 TZXMLTKSZSEHKQ-UHFFFAOYSA-N 286.375 3.557 30 20 CHED CC(C)(C#N)CCSCC(=O)Nc1ccc(F)c(F)c1 289355639 HLDIKMUGBYREQX-UHFFFAOYSA-N 298.358 3.576 30 20 CHED Cc1ncsc1CCSCc1ccc(C#N)cc1F 285188748 VEDXSIJNLFMDAZ-UHFFFAOYSA-N 292.404 3.938 30 20 CHED C=CCCCCCCNC(=O)C[C@@H](C)c1c(C)n[nH]c1C 286991073 JYAWXRBBLWUXFR-CYBMUJFWSA-N 291.439 3.773 30 20 CHED C=CCOCCN[C@H](c1ccc(F)cc1F)C(C)(C)C 559147296 QOPLWQCFSCCOKA-OAHLLOKOSA-N 283.362 3.844 30 20 CHED C=CCc1ccc(OC[C@H](O)CC2CCCC2)c(OC)c1 473772411 KOJCBMBLGZNHKO-MRXNPFEDSA-N 290.403 3.744 30 20 CHED COc1cccc(C(=O)/C=C/c2c[nH]c(C(F)(F)F)c2)c1 806565147 IFQBGTYUIHRYGO-AATRIKPKSA-N 295.260 3.938 30 20 CHED C#CC[C@H](Nc1nc(CC)cc(CC)n1)c1ccccc1 804580363 ZPGRCZNBKIJASX-KRWDZBQOSA-N 279.387 3.778 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc(Cl)cc(C)c1O 808706620 PIBHMZNDVHSNKN-LBPRGKRZSA-N 283.799 3.597 30 20 CHED Cc1nn(C)c(Cl)c1/C=C1/C(=O)c2ccccc2[C@@H]1C 809159915 ZFBDPBWOJCOKQZ-ITTMYVLYSA-N 286.762 3.765 30 20 CHED Cc1nc(Oc2ccc(F)c3c2C(=O)C[C@@H]3C)ccc1C#N 555535060 HXROKDNBBGCUEJ-VIFPVBQESA-N 296.301 3.883 30 20 CHED CC[C@@H](C)CCC(=O)OCc1cc(F)ccc1C#N 803880042 UFWZYXFAYPNYLS-LLVKDONJSA-N 263.312 3.567 30 20 CHED CCCCCCCC(=O)OCc1cnc(COC)s1 292172633 IENCRNAHUBUZLM-UHFFFAOYSA-N 285.409 3.693 30 20 CHED CC(C)[C@H]1CCc2ccccc2N1C(=O)CCCC#N 291346741 NNQANGWDYYNGHD-OAHLLOKOSA-N 270.376 3.684 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2cc(OC)ccc2c1 806615011 GSVQDGNZIXURIP-HNNXBMFYSA-N 296.370 3.772 30 20 CHED C=CCCCCN1CCC(CO)(Cc2ccccc2)CC1 565991499 YACFNUOGOLXEDI-UHFFFAOYSA-N 287.447 3.660 30 20 CHED C#CCCCCc1nc(C2(c3cc(F)ccc3C)CC2)no1 809513998 NBHHQKNRIBUHDT-UHFFFAOYSA-N 298.361 3.943 30 20 CHED C=CCCOCCN[C@H](c1cc(F)ccc1F)C(C)C 479393249 PCXCZJXSIABBLE-INIZCTEOSA-N 283.362 3.844 30 20 CHED CC[C@H](C)CCC(=O)[C@@H](C#N)c1cnc2ccccc2n1 802814077 UDBPEVCCPHXQOO-STQMWFEESA-N 281.359 3.632 30 20 CHED C[C@@H]1/C(=C/c2ccc(O)cc2)C(=O)c2ccccc21 809159247 LQISQVOAEPHMLC-OKHBPPCESA-N 250.297 3.776 30 20 CHED Cc1ccc(C)n1C1CCN(Cc2ccc(C#N)cc2)CC1 299566868 SWPNXQXDACRBAL-UHFFFAOYSA-N 293.414 3.814 30 20 CHED CCCC[C@@H](C)C(=O)OCC#Cc1ccc(F)cc1 800277451 TUBFUPIGDGZBKA-CYBMUJFWSA-N 262.324 3.547 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)NCc1cc(C#N)ccc1F 476121834 OWCDJYSNXXGTQM-UKRRQHHQSA-N 288.366 3.530 30 20 CHED Cc1cc(F)c(F)cc1OC(=O)CCCCCC#N 805997942 HZANQJGEPMSESY-UHFFFAOYSA-N 267.275 3.653 30 20 CHED CCCCN(CCO[C@@H](C)C#N)[C@H](C)c1ccc(C)o1 801915077 JDUSMHQNJPWOJF-LSDHHAIUSA-N 278.396 3.680 30 20 CHED Cc1c(C(=O)N[C@@H]2C=CCCC2)sc2ccc(C#N)cc12 563682427 GRCVUOMVOPJOSE-CYBMUJFWSA-N 296.395 3.920 30 20 CHED Cc1cc(CN(C)C[C@@H](C)c2nccs2)ccc1C#N 488271155 YFCAJFROZPYZRU-CYBMUJFWSA-N 285.416 3.559 30 20 CHED C[C@H]1CC(C(=O)Nc2ccccc2CC#N)C[C@H](C)C1 568796421 ZCDASPRMZNYTOK-CHWSQXEVSA-N 270.376 3.763 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)C[C@H]1CC=CCC1 488982862 QDTBYSCHKBIYIA-KRWDZBQOSA-N 298.430 3.671 30 20 CHED C#CCN(C(=O)c1ccc(C(C)(C)C)c(Cl)c1)C1CC1 811078462 UBCSAPLHXNHPLZ-UHFFFAOYSA-N 289.806 3.875 30 20 CHED Clc1cccc(C#CCSc2nc3c([nH]2)CCC3)c1 487927866 UUQHQOPDAXWFER-UHFFFAOYSA-N 288.803 3.696 30 20 CHED C=CCN(C)C(=O)Nc1cnn(CCC(C)C)c1C(C)C 487601643 AZBHAAIQZPLISS-UHFFFAOYSA-N 292.427 3.702 30 20 CHED CC(C)CC(=NOC/C=C\Cl)c1ccccn1 811668180 CDEUIWLAPCMSNO-BTESIMECSA-N 252.745 3.601 30 20 CHED CCCCCCCCCNC(=O)[C@@H]1CCc2cccnc21 819840739 XDBMYEHLSZGLPY-MRXNPFEDSA-N 288.435 3.978 30 20 CHED Cc1ccnc(NN=Cc2ncc(-c3ccccc3)s2)c1 811644199 SBJDRWPMGWXLQI-UHFFFAOYSA-N 294.383 3.960 30 20 CHED c1cc2[nH]ncc2cc1NN=C1CC[C@@H]1C1CCC1 814900276 LQGUQIQZHCQNHY-CYBMUJFWSA-N 254.337 3.541 30 20 CHED C[C@H](C(=O)OCc1ccc(Cl)cc1C#N)C(C)(F)F 815493173 CHXKDLBMGAPJAH-MRVPVSSYSA-N 287.693 3.546 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCCO[C@@H]1CC(C)C 480737725 VZRFXPVIPYFUGS-ARFHVFGLSA-N 253.430 3.915 30 20 CHED CC(C)OCc1cc(N=Cc2ccccc2O)ccc1O 811624602 KKKIPQOTAXQFHL-UHFFFAOYSA-N 285.343 3.773 30 20 CHED Cc1ccc(NN=C2CC(C)(C)Oc3ccsc32)nc1 814831585 ILMGNMSDFOTRFY-UHFFFAOYSA-N 287.388 3.829 30 20 CHED CC(Cn1cccn1)=NNc1cc(Cl)ccc1Cl 814861616 XSJWGQNJTYQCGE-UHFFFAOYSA-N 283.162 3.678 30 20 CHED Cc1cc(NC(=O)[C@@]2(C#N)C[C@H]2C)ccc1-c1ccncc1 574523796 KEXKWKPFBVZWFY-FZKQIMNGSA-N 291.354 3.545 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C/c1cccc(O)c1O 727781865 ZBVGMHVLCCRUGY-BRFSQIRFSA-N 269.344 3.538 30 20 CHED Fc1ccccc1NC(=S)NN=C1CC[C@@H]1C1CCC1 814712945 UFMYJPWMYPGHSZ-LLVKDONJSA-N 291.395 3.678 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)ccc1F 729149501 LGKHGVUGRXYWDF-UTCJRWHESA-N 284.286 3.759 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(CCCC)cc2)nc1 728797978 AEJINHCDCZRLLF-UHFFFAOYSA-N 278.355 3.658 30 20 CHED N#CC1(COC(=O)/C(F)=C\C2CCCCC2)CCC1 816023318 WWIJJDPJIDHJSL-UKTHLTGXSA-N 265.328 3.657 30 20 CHED C=CCNCc1cnc(-c2ccc(C)c(C)c2)s1 655703213 BYHNETGAFJBRAS-UHFFFAOYSA-N 258.390 3.703 30 20 CHED C=CCCCCN(CCc1ccccn1)Cc1cccnc1 574149747 VPZBFKUEPNNPRZ-UHFFFAOYSA-N 295.430 3.878 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3cccc(C#N)n3)C2)cc1 486483826 DKHMGWNXVXQNSC-HOCLYGCPSA-N 277.371 3.644 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C#N)cc(N(C)C)c2)n1 579938495 YQGVWIOICVGBDK-UHFFFAOYSA-N 296.374 3.528 30 20 CHED CCCCCCCC(=O)NCc1ccc(N(C)C)cc1 825488405 GAMAOJJACHAYAM-UHFFFAOYSA-N 276.424 3.729 30 20 CHED C=C(Cl)CN1CCC(Cc2ccc(F)cc2)CC1 726072529 YGMMNQTUTKLHMC-UHFFFAOYSA-N 267.775 3.833 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 491315202 LOOZETXLVJVXAB-KGLIPLIRSA-N 282.387 3.580 30 20 CHED Cc1cc([C@H](C)NC(=O)C#Cc2cccs2)c(C)s1 824839472 ZJYKOJPBLAUQLK-NSHDSACASA-N 289.425 3.655 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N1CCC(CCC#N)CC1 579955013 CYRWQZFIMQDKPM-UHFFFAOYSA-N 299.418 3.669 30 20 CHED N#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccccn1 826715930 SZCHUZHJNBJGHV-BZUAXINKSA-N 297.402 3.545 30 20 CHED C=CCCCCN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C 828468646 TUVCODRTTWWKBE-HUUCEWRRSA-N 296.455 3.578 30 20 CHED C=C(CNC(=O)[C@H](SC)c1ccccc1)c1ccccc1 588776112 WERHWBUJEBGWDY-QGZVFWFLSA-N 297.423 3.920 30 20 CHED CN(CCCCc1ccccc1)C(=O)CCCCCC#N 588151848 FBYPEUYRWNBTFG-UHFFFAOYSA-N 286.419 3.942 30 20 CHED N#Cc1cccc(C2(NCC[C@H]3CC3(Cl)Cl)CC2)c1 822818713 RXRXYBASTRCCOD-ZDUSSCGKSA-N 295.213 3.721 30 20 CHED CCC(=NNc1ccc(F)c(F)c1)c1c(C)nn(C)c1C 901317168 FWUFMAWNXQUHIY-UHFFFAOYSA-N 292.333 3.541 30 20 CHED CC[C@@H]1CCCN1Cc1cc(C#N)ccc1Br 492764321 CBSZDLYUZKRUSO-CYBMUJFWSA-N 293.208 3.695 30 20 CHED N#CC1(CCCCOC(=O)c2nccc3occc23)CCC1 909503465 WJGQHEXJZLCXSQ-UHFFFAOYSA-N 298.342 3.849 30 20 CHED CCc1cc(CC)nc(N[C@@H]2CCc3cc(C#N)ccc32)n1 588035766 WNPFXQKZUFHGJU-QGZVFWFLSA-N 292.386 3.572 30 20 CHED COc1ccc2c(c1)C(C)(C)C[C@@H]2NCC1(C#N)CCC1 903033344 UHLVEXLSNQSTAX-INIZCTEOSA-N 284.403 3.701 30 20 CHED CCc1nc(C)c(CN[C@@H](CC)c2cccc(C#N)c2)o1 902999864 QUGJHYZFASJLEQ-HNNXBMFYSA-N 283.375 3.658 30 20 CHED CCc1ccc(C(=O)/C=C\c2c(OC)cccc2OC)o1 588386688 WWAPUSYQLGHVRW-KTKRTIGZSA-N 286.327 3.755 30 20 CHED N#Cc1sccc1C(=O)NC[C@@H](c1ccccc1)C1CC1 908375335 IAPRTFPHWBQMQW-HNNXBMFYSA-N 296.395 3.543 30 20 CHED C=C(CC)CS[C@H](C)C(=O)c1[nH]c(C)c(C(=O)O)c1C 833371029 VDJUIIDRLXRXLX-LLVKDONJSA-N 295.404 3.600 30 20 CHED C=CCC1(C(=O)Nc2cccc3c(OC)ccnc23)CCC1 581859767 JYWAJKUGMPOHOJ-UHFFFAOYSA-N 296.370 3.928 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 584876262 LVFOUTBTEXAQFM-JSGCOSHPSA-N 290.407 3.805 30 20 CHED CC(=NOCCOC(C)C)c1c(C)oc2ccccc12 834981596 SZFAEOQMQGSLKS-UHFFFAOYSA-N 275.348 3.907 30 20 CHED COCc1cccc(C=NN[C@H]2CCc3c(F)cccc32)c1 835021054 RKPDCXNVBIRWMU-SFHVURJKSA-N 298.361 3.583 30 20 CHED C=C[C@H](CC)CC(=O)N(CCCC)c1cccnc1 906075597 NOCPYFLPMUREKB-CQSZACIVSA-N 260.381 3.817 30 20 CHED CC(=NOC(C)C)c1sc2nc(C)nc(C)c2c1C 835004502 QBANLMKMNJFYMN-UHFFFAOYSA-N 277.393 3.766 30 20 CHED C[C@]1(C#N)CCCN(C/C=C\c2ccc(F)c(F)c2)C1 589173322 XBMOSHLBYBPFLN-ZENLRNHISA-N 276.330 3.604 30 20 CHED C=CCOc1cccc(CNCCCOc2ccccc2)c1 675510935 KNXRFVXSUVBNFJ-UHFFFAOYSA-N 297.398 3.810 30 20 CHED CC(=O)Nc1cccc([C@@H](C)/N=C\c2ccccc2O)c1 914556643 DKOFKYGCLKUQOI-OTWJJXBCSA-N 282.343 3.531 30 20 CHED CCc1nc(NC(=O)/C=C\c2ccccc2C#N)sc1C 916080301 CPNZEAAEUMWANM-HJWRWDBZSA-N 297.383 3.538 30 20 CHED Fc1cccc2c1CC[C@H]2NN=C1CCCc2cccnc21 835020235 KRKKNEAERHNARM-MRXNPFEDSA-N 295.361 3.538 30 20 CHED C=CC[C@@H](NC(=O)N1CCCC[C@@H]1CC)c1ccncc1 734680363 SIYPHVZTFTXSGK-JKSUJKDBSA-N 287.407 3.673 30 20 CHED COCC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCCC1 590780090 QOYLUZRZACABJK-GOSISDBHSA-N 298.430 3.732 30 20 CHED CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cc(C)ccc1C 599645139 MXZCRAFFPQUZNS-RDJZCZTQSA-N 288.435 3.645 30 20 CHED CCC[C@@H](C(=O)N(CC)CC#N)c1ccc(Cl)cc1 596916440 NPEYNZBPUVHPBF-CQSZACIVSA-N 278.783 3.596 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C\c1ccccc1 743679303 RLOPBIJXEYQPHG-RAXLEYEMSA-N 293.341 3.501 30 20 CHED CCC(=NNc1ccc(C#N)cc1)c1ccc(F)cc1 915961558 HHILRCKHVBZLKI-UHFFFAOYSA-N 267.307 3.924 30 20 CHED Fc1ccc2[nH]cc(C=NNc3ncccc3Cl)c2c1 747047851 ILFKFQZBFQRQBE-UHFFFAOYSA-N 288.713 3.801 30 20 CHED COCCON=Cc1ccc(-c2ccc(F)cc2)s1 748792287 XETCWZBFRZPMLQ-UHFFFAOYSA-N 279.336 3.551 30 20 CHED CCSCC[C@H](C)N(C)c1nc(C#N)c(Cl)s1 590583168 DVFFSHRHYJAZDO-QMMMGPOBSA-N 289.857 3.636 30 20 CHED COc1cccc(NN=C(C)[C@@H]2C[C@H]2c2cccs2)n1 841634422 SVDUVGIEWCXMMV-NWDGAFQWSA-N 287.388 3.743 30 20 CHED CCc1nc(C)c(COc2cc(C)c(C#N)c(C)c2C)o1 596281716 UQKFSLLCSWLRIO-UHFFFAOYSA-N 284.359 3.921 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(Cl)nc(C2CC2)c1 847071314 NTNHPPNORQCLIT-UHFFFAOYSA-N 278.783 3.554 30 20 CHED COCc1cccc(C=NNCc2ccccc2Cl)c1 743438669 OOXWKYYAHQOVED-UHFFFAOYSA-N 288.778 3.610 30 20 CHED Oc1ccc(Br)cc1/C=N\CC1CCCC1 914701972 UMPQOEJKPOZTPS-DHDCSXOGSA-N 282.181 3.764 30 20 CHED O=C(/C=C\c1ccccc1OC1CCCC1)c1ncccn1 840722282 HPMRKOIVVUDNSM-KHPPLWFESA-N 294.354 3.694 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)CC1(C#N)CCCCC1 597294405 QVOSCVBOSNFGQF-CABCVRRESA-N 276.424 3.888 30 20 CHED CCCCCCCN1CCc2c(cccc2NC(C)=O)C1 740875150 HZFKIGYUXIUKRD-UHFFFAOYSA-N 288.435 3.974 30 20 CHED CCC(C#N)(CC)C(=O)N(C)C/C(C)=C/c1ccccc1 599826229 SYYNPGRGMRANOV-NTCAYCPXSA-N 284.403 3.878 30 20 CHED Cc1cc(C#N)ccc1N1CCC(Cc2cccnc2)CC1 846750752 GFTJUFCFVOUYGJ-UHFFFAOYSA-N 291.398 3.721 30 20 CHED C[C@H](NC(=O)c1ccc(C2CC2)cc1)c1cccc(C#N)c1 597320958 BXHJARJXLHMYJU-ZDUSSCGKSA-N 290.366 3.927 30 20 CHED O=C(/C=C\c1ccnn1CC1CC1)c1cccc(Cl)c1 849241913 QIXLXCBIFMQVJM-SREVYHEPSA-N 286.762 3.843 30 20 CHED CCCCC(C)=NNC(=S)Nc1ccccc1C 915921509 YWGIPANFJCMWRF-UHFFFAOYSA-N 263.410 3.848 30 20 CHED CCCCCCCCC(=O)NC(C)(C)c1cnn(C)c1 741616280 VFGNFUQJLMVASN-UHFFFAOYSA-N 279.428 3.522 30 20 CHED Cc1cccc2cc(C(=O)OCc3cccc(C#N)c3)oc12 747264070 HTGSJXWSVBGKOT-UHFFFAOYSA-N 291.306 3.970 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 842342375 JOUGHTHRNULPMX-MELADBBJSA-N 277.751 3.679 30 20 CHED CCCCCCCC(=O)OCc1cccc(C#N)c1 919222156 LBFDUEWFINGMRL-UHFFFAOYSA-N 259.349 3.962 30 20 CHED C[C@@H](NC(=O)C1=CCC(C)(C)CC1)c1cccc(C#N)c1 590847940 WALBMHXCJBPLEL-CYBMUJFWSA-N 282.387 3.872 30 20 CHED Cc1csc(NC(=O)NC2(CC(C)C)CC2)c1C#N 596902909 DEUTUQQDPLPAGE-UHFFFAOYSA-N 277.393 3.628 30 20 CHED N#CC1(NC(=O)CCC2CCCCCC2)CCSCC1 594001686 JGBWZJLJCYQUJC-UHFFFAOYSA-N 294.464 3.643 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1Cc1ccc(C#N)cn1 593962583 RWZUEILPKWFPTF-IBGZPJMESA-N 291.398 3.709 30 20 CHED CC/C(=C/C(=O)O[C@@H](C)C#N)c1cccc(Cl)c1 745753519 KPOUHJWLZDSFEN-DFYQSJSGSA-N 263.724 3.589 30 20 CHED C=CCCC(=O)OCc1ccc2nc(C)sc2c1 842857754 IQZABCLEGJYONL-UHFFFAOYSA-N 261.346 3.614 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H](C)c1ccco1 599346011 GSLCVPRIOTXTNS-CQSZACIVSA-N 290.407 3.952 30 20 CHED C=CCC[C@@H](CCC)NC[C@H](c1ccnn1C)C(C)C 682643167 JWWUIGBNEMLRCJ-CVEARBPZSA-N 277.456 3.884 30 20 CHED CC(C)OCc1cccc(N=Cc2cccc(O)c2O)c1 920479918 WHHVOTCYJLFVBW-UHFFFAOYSA-N 285.343 3.773 30 20 CHED C=C(C)[C@H](C)OC(=O)c1cccc(NC(=O)c2ccco2)c1 755990658 ZPHZJBLRGDYWNZ-LBPRGKRZSA-N 299.326 3.653 30 20 CHED C=CC(C)(C)CCOC(=O)c1sc(COCC)nc1C 851300659 ZHJJUGMVVHVBAP-UHFFFAOYSA-N 297.420 3.747 30 20 CHED CCC#C[C@@H](C)N1CCC(n2c(C)nc3ccccc32)CC1 684621647 XKVZGBDNWMMAGT-OAHLLOKOSA-N 295.430 3.784 30 20 CHED C#CCCCCNC(=O)Nc1ccc(OC(C)C)cc1C 758586924 VGHDBFVWZUUZBK-UHFFFAOYSA-N 288.391 3.707 30 20 CHED C=C(Br)CNC(=O)N[C@@H](C)CCCCCC 921075018 GBLBXJVVNNHCOW-NSHDSACASA-N 291.233 3.553 30 20 CHED CCn1cc(C(=O)/C=C\c2ccccc2C2CC2)cn1 751032171 NNTGMVMZZOEXDH-KTKRTIGZSA-N 266.344 3.677 30 20 CHED Cc1oncc1CS[C@H](C)c1cccc(C#N)c1 853772594 ULJPRPDXUXBNJN-LLVKDONJSA-N 258.346 3.849 30 20 CHED O=C1/C(=C\c2ccccc2[N+](=O)[O-])Cc2c(F)cccc21 921267078 VTQZDMQAFNVPFI-FLIBITNWSA-N 283.258 3.556 30 20 CHED CCc1ccccc1NN=Cc1nc(Cl)cs1 758108468 UTQRLDKSTBCAOT-UHFFFAOYSA-N 265.769 3.805 30 20 CHED C=CCC[C@@H](C)NCc1cccc(O[C@H](C#N)CC)c1 756709306 KQJYUZUIFTVAJN-ZBFHGGJFSA-N 272.392 3.812 30 20 CHED C=CCc1cc(OC)cc(CN(CCC)CC(F)F)c1O 754730655 UVHJSWPXWGOMQN-UHFFFAOYSA-N 299.361 3.606 30 20 CHED C#CC[C@H](Nc1ncnc2c1CCCC2)c1ccccc1 756957436 QKWUZUBNDPTMAJ-INIZCTEOSA-N 277.371 3.532 30 20 CHED CCCCCCCCNC(=O)c1c[nH]c2ncccc12 755216927 ZXUMIMSUHRKMID-UHFFFAOYSA-N 273.380 3.653 30 20 CHED C#CCCCC(=O)N(Cc1ccccc1)CC(C)(C)C 758285567 KRURSFKRUIHBAA-UHFFFAOYSA-N 271.404 3.865 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)c(O)c1 757475237 IILXHETUSDYJPY-UTCJRWHESA-N 280.323 3.532 30 20 CHED N#Cc1ccsc1NC(=O)CC[C@H]1CC1(Cl)Cl 857568713 IGJPYCQIVVCYFT-QMMMGPOBSA-N 289.187 3.532 30 20 CHED Cc1cccc(C(=O)OCCCCC#N)c1Br 757820919 RTBWHOQSCZVWKB-UHFFFAOYSA-N 296.164 3.608 30 20 CHED C=CCC[C@H](C(=O)O[C@@H](C)c1nccn1C)c1ccccc1 851575847 RCUUEOBPZGNTKI-HOCLYGCPSA-N 298.386 3.774 30 20 CHED CCn1nccc1C=NN[C@@H](C)c1ccc(C(C)C)cc1 753698078 UNBBRKQCVCOUOE-AWEZNQCLSA-N 284.407 3.711 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnn(C)c1-c1ccccc1 935976672 DIZUFAWDSQPQJT-CYBMUJFWSA-N 283.375 3.628 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H]1CCCC(F)(F)C1 935830719 XTDYAQPDLTYGRK-NEPJUHHUSA-N 259.340 3.530 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2ccccc2[C@H]1C 932177181 LIBGQIXQEFFACY-KGLIPLIRSA-N 257.377 3.735 30 20 CHED CCC(CCc1ccccc1)=NNc1ccc(C)nn1 863092243 LMPWNIJZMDHGHM-UHFFFAOYSA-N 268.364 3.596 30 20 CHED C#CCCCCC(=O)N[C@@H](CC)CCc1ccccc1 862691146 POTOPABPGNJSNX-KRWDZBQOSA-N 271.404 3.708 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2ccc(Cl)c(C#N)c2)C1 767526678 OUPZWBVFPUGYCX-BXKDBHETSA-N 263.724 3.557 30 20 CHED CS(C)(=O)=Nc1cccc(NCc2ccc(C#N)cc2)c1 864015139 GHEPWBQNAPDLLR-UHFFFAOYSA-N 299.399 3.529 30 20 CHED C#CCCCCCc1nc(Cc2ccccc2F)no1 761330224 OICUEWDXQFWKHB-UHFFFAOYSA-N 272.323 3.536 30 20 CHED Cn1c(NN=C2CC[C@@H]2c2ccccc2)nc2ccccc21 769782120 VCHCCEVRUKADKH-CQSZACIVSA-N 290.370 3.919 30 20 CHED CC(C)c1cc(C(=O)OCCCCC(C)(C)C#N)on1 768696463 JMLXJFXWCZNHKM-UHFFFAOYSA-N 278.352 3.675 30 20 CHED C#Cc1ccc(CNc2cccc(N=S(C)(C)=O)c2)cc1 864015129 FRAYQVMQVHNKCB-UHFFFAOYSA-N 298.411 3.639 30 20 CHED CCOc1ccc(/C=N\CCC[C@H]2CCCCO2)c(O)c1 761016178 VGKDBJLDSUYLNP-QLENYVDCSA-N 291.391 3.559 30 20 CHED C=CCOc1ccc(COC(=O)C(C#N)(CC)CC)cc1 860658477 HUWQKPAHGJOAKY-UHFFFAOYSA-N 287.359 3.625 30 20 CHED CC[C@H](CNCc1cccc(OCC#N)c1)c1ccccc1 1116430950 QKMRNDOLPYRXFL-QGZVFWFLSA-N 294.398 3.872 30 20 CHED CC(C)O[C@@H]1CC(=NNc2cnnc3ccccc23)C1(C)C 764910062 MZGUGKSPOOFNOC-MRXNPFEDSA-N 298.390 3.621 30 20 CHED Cn1cnc2cc(/C=C3\Cc4c(F)cccc4C3=O)ccc21 761201949 YBJJWAZGCAFSJJ-KPKJPENVSA-N 292.313 3.535 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 767254440 JLXXUFUFPIQWCK-FZMZJTMJSA-N 297.320 3.679 30 20 CHED C#CCCCOC(=O)c1ccc(C(F)(F)F)cc1Cl 775102801 CARNNSGRZQGHFI-UHFFFAOYSA-N 290.668 3.929 30 20 CHED Cc1cc(C#N)ccc1CN1Cc2ccccc2[C@@H](C)C1 776789435 IZCBQAPYHKXPEO-HNNXBMFYSA-N 276.383 3.986 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2cc(Cl)ccn2)C1 777906652 ZCEQZMJWTKGNJS-WDEREUQCSA-N 251.761 3.959 30 20 CHED Clc1cccc(C=NOC2CCOCC2)c1Cl 774457822 MRLCPXUPQVGJOU-UHFFFAOYSA-N 274.147 3.523 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)c1cn(C)c2ccccc12 772846442 BWCHCIGGEDDXBS-NSHDSACASA-N 277.751 3.578 30 20 CHED C[C@H](C(=O)OCc1ccc(CC#N)cc1)c1cccc(F)c1 776114136 WPXGLVCEKBUFPG-ZDUSSCGKSA-N 297.329 3.739 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)c2ccccc2n1 1116888645 LTIMDNVOMTUOML-KDOFPFPSSA-N 282.387 3.936 30 20 CHED CC(C)[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2O)CCO1 771521672 VCYPXEUNJCMPJW-CFNHKTIUSA-N 281.783 3.668 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(c1)C(=O)CCC2 779927885 CDZXTSURFWYMKI-UHFFFAOYSA-N 283.371 3.728 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)o1 772799456 COBCPRCBGXMSHW-FNORWQNLSA-N 269.275 3.749 30 20 CHED C[C@H](OC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 885667488 KUYIRUQQMWZJMD-XJKSGUPXSA-N 299.370 3.512 30 20 CHED C=C(CC)COC(=O)c1csc(Cc2ccccc2)n1 773491189 DKEBCHHLNAQOSW-UHFFFAOYSA-N 287.384 3.857 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1ccc(C#N)c(C)c1 1461019599 PZMUHBAETUCXOS-DOTOQJQBSA-N 256.393 3.925 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCCSC(C)(C)C 770289031 BAFAYUASEBDKKS-UHFFFAOYSA-N 291.420 3.520 30 20 CHED CCCCN(C(=O)Cc1ccccc1CC#N)[C@@H](C)CC 776807394 RJYSBTWRNPIWIP-HNNXBMFYSA-N 286.419 3.722 30 20 CHED Cc1nc2sccn2c1C=NN[C@H]1CCCCC1(C)C 773126485 SYIGBXRZURGXDD-ZDUSSCGKSA-N 290.436 3.597 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(Cl)n1C 1123234498 WBFQMEWXIDXQQM-GHMZBOCLSA-N 295.814 3.712 30 20 CHED COc1cc(Cl)ccc1N=Cc1cccc(OC)c1O 773906873 OJLWTMLFORKPTQ-UHFFFAOYSA-N 291.734 3.813 30 20 CHED N#CCc1ccc(COc2ccc(N3CCCC3)cc2)cc1 784054731 CFDGGOHEHLGVDK-UHFFFAOYSA-N 292.382 3.932 30 20 CHED CCc1ccccc1COC(=O)Cc1ccccc1CC#N 782300442 ZAGBGMAYQJUSBR-UHFFFAOYSA-N 293.366 3.601 30 20 CHED C=CCCCCCNc1ccc2c(c1)C[C@@H](OC)C2 783214916 GUIGWGNAPZHFHV-KRWDZBQOSA-N 259.393 3.959 30 20 CHED CC1(C(=O)OCc2ccc(CC#N)cc2)CCCCC1 781267823 FQNQTIHNLURCKI-UHFFFAOYSA-N 271.360 3.766 30 20 CHED O=C(/C=C\c1ccc2cnccc2c1)c1cc(O)ccc1O 782348783 UBJOWPXCXWVWCT-DJWKRKHSSA-N 291.306 3.542 30 20 CHED C=CCc1ccc(OC(=O)[C@](C)(C=C)CC)c(OC)c1 786610563 PLXSSMZSAKSWLK-QGZVFWFLSA-N 274.360 3.931 30 20 CHED C=Cc1ccccc1NC(=O)N1CCC(C=C)CC1 880215419 WVNIFHQKCIREQN-UHFFFAOYSA-N 256.349 3.760 30 20 CHED CC1(C)CCC[C@@H]1NN=C/C=C/c1ccccc1[N+](=O)[O-] 782287186 KWYIEGVYESEADW-COQGHMFXSA-N 287.363 3.762 30 20 CHED C(=NNC1CCCCC1)c1cnc(C2CCC2)s1 786041649 AONUMTUCWLTHEJ-UHFFFAOYSA-N 263.410 3.667 30 20 CHED C=CC1CCN(C(=O)Nc2ccccc2-c2ncco2)CC1 889025688 ICBAKKYIRYXUAU-UHFFFAOYSA-N 297.358 3.772 30 20 CHED C=C[C@@H]1CCCCN1c1nc2ccc([N+](=O)[O-])cc2s1 784672383 RSPVNYCQMXRVMV-SNVBAGLBSA-N 289.360 3.749 30 20 CHED CC1(C)CC[C@@H](C(=O)OCc2cccc(C#N)c2F)C1 781692848 AHTDVKFJIZDSTP-LLVKDONJSA-N 275.323 3.567 30 20 CHED C#CCC1(C(=O)NCCC2=CCCCC2)CCCCC1 788133156 BMFJSZRTHPCMGB-UHFFFAOYSA-N 273.420 3.967 30 20 CHED C=CCCCCCOC(=O)c1scnc1Cl 783048734 ZZRKTQFAXXDFAQ-UHFFFAOYSA-N 259.758 3.700 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1ccoc1C(C)C 796399291 SGQIFVXELUQFHW-UHFFFAOYSA-N 283.327 3.940 30 20 CHED COc1ccc(C(C)=NNc2ccccc2)c(C)c1OC 794856861 RXOFUUHQIDEIQX-UHFFFAOYSA-N 284.359 3.848 30 20 CHED C#C[C@H](OC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc(C)cc1 893251934 ZFSPSGIHFVTPSX-SJORKVTESA-N 298.382 3.562 30 20 CHED N#CC1(CCCC[S@](=O)C2CCCC2)CCC1 899275900 JWRLIEXKNJQTMD-KRWDZBQOSA-N 253.411 3.542 30 20 CHED COc1ccc([C@H](C)OC(=O)c2ccc(C)c(C#N)c2)cc1 799356687 GTVYEDCPDULBFL-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED Fc1ccc(-n2nccc2C=NOCc2ccccc2)cc1 794489511 WXEHVRAGOKMEAL-UHFFFAOYSA-N 295.317 3.562 30 20 CHED CC#CCCOC(=O)c1sc2ccc(C#N)cc2c1C 796614393 JNPFRHSKFQQLNA-UHFFFAOYSA-N 283.352 3.652 30 20 CHED CC(C)c1ccc(C(=O)Nc2cccc(C#N)c2)c(O)c1 1135494362 CCDXKXPPCRPDID-UHFFFAOYSA-N 280.327 3.640 30 20 CHED C=C(C)CCc1noc(-c2c(Cl)nc3ccccn23)n1 795765066 XALGCQFPBMTGHF-UHFFFAOYSA-N 288.738 3.546 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccnc(F)c2)s1 794718585 BLYFDFBQZFJCOM-WAYWQWQTSA-N 261.321 3.741 30 20 CHED COc1ccc(OC(=O)C[C@@H](CC#N)c2ccccc2)cc1 796510655 KOQAGCDRYMTHTK-OAHLLOKOSA-N 295.338 3.688 30 20 CHED CCc1occc1C(=O)O[C@@H](C)c1cccc(C#N)c1 797487509 JUISIXBMZFTRAR-NSHDSACASA-N 269.300 3.632 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCCCCC 797998221 CKTLRQBZALPJGH-PMPSAXMXSA-N 253.430 3.916 30 20 CHED C#CC[C@H](N[C@@H](C)c1cccc(O)c1)c1ccccc1 799720432 IBASHVMHGWWJLR-KSSFIOAISA-N 265.356 3.807 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(C(C)(C)C#N)cc1 796036709 MMFNKJGARSPRPA-UHFFFAOYSA-N 298.386 3.975 30 20 CHED C=CC[C@@H](CC)NC(=O)C(F)(F)c1ccc(C)cc1 798553594 GDULKQHZVHSITC-CYBMUJFWSA-N 267.319 3.558 30 20 CHED C#CCCCNc1ncnc2scc(C(C)(C)C)c12 793099669 UVANBNOVSRLPEH-UHFFFAOYSA-N 273.405 3.814 30 20 CHED CCC(=NOCCSC)c1c(F)cccc1Cl 794572533 SZCJJRNCILIYTB-UHFFFAOYSA-N 275.776 3.973 30 20 CHED C=CCCCCC[C@@H](C)NC1CCN(CC=C)CC1 793527215 OTWZXNLFYPYQET-MRXNPFEDSA-N 264.457 3.751 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 791067541 RYDMJMRTLWLNKY-IXDOHACOSA-N 298.430 3.684 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](N)[C@@H](CC)C1 134123557 JOEHLQOEUXGADY-JKSUJKDBSA-N 282.472 3.713 30 20 CHED CC[C@H](Nc1nccc(C)c1C#N)c1cc(F)ccc1OC 1307212945 VKBDLFGVBKOQMM-HNNXBMFYSA-N 299.349 3.973 30 20 CHED Cc1ccc(NC(=O)c2ccccc2CC#N)cc1Cl 58248234 WSQZBNDNANFSJF-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CC(C)(C)c1cnc(Sc2cccc(F)c2C#N)[nH]1 1163868037 LAFOLPXUJVQLNL-UHFFFAOYSA-N 275.352 3.869 30 20 CHED N#Cc1ccc(CCN2CCOC3(CCCCCC3)C2)cc1 1167658697 KKVGCBRDOJSMAU-UHFFFAOYSA-N 298.430 3.526 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc2c(c1)oc1ccccc12 1325913935 HHPCDBSYPKSLON-CYBMUJFWSA-N 277.323 3.728 30 20 CHED CC(C)(C)ON=C1CCCCc2cc(C#N)ccc21 1325014132 COCIRIPBYPYCFD-UHFFFAOYSA-N 256.349 3.804 30 20 CHED CC(C)(CNC(=O)c1csc(C#N)c1)Cc1ccccc1 1326471889 FWFFJHQPCZDAHU-UHFFFAOYSA-N 298.411 3.618 30 20 CHED Cc1ccc(CO)cc1N[C@H](C)c1cccc(C#N)c1 600851118 VSKCYQGVOZTLAJ-CYBMUJFWSA-N 266.344 3.532 30 20 CHED Cc1ccc2oc(C(=O)N(CCC#N)C(C)C)cc2c1 42893596 AIIHYQGMFDJAOJ-UHFFFAOYSA-N 270.332 3.506 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCC1)c1ccc(Cl)cc1Cl 83794983 OJYMGPLDMRCYOI-SECBINFHSA-N 297.185 3.864 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2csc(C#N)c2)C1 1326516651 JTHDXWAOQOPJSS-LRDDRELGSA-N 296.395 3.843 30 20 CHED CO[C@@H]1CCC[C@H](Sc2nc(C)cc(C)c2C#N)C1 1188086222 YWRAWZAIIQURRI-OLZOCXBDSA-N 276.405 3.620 30 20 CHED Cc1cccc([C@H](C)NC(=O)Nc2ccc(C#N)cc2)c1 1184763073 NHNZFZVQWUOUOI-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED C#Cc1cccc(N(C)Cc2cc(C)ccc2OC)c1 728574264 NPQKDRVRXBISMD-UHFFFAOYSA-N 265.356 3.621 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)c1ncccc1C)c1ccccc1 1336256870 YRLJTSWPHXZRKO-NVXWUHKLSA-N 294.398 3.927 30 20 CHED C=C(C)COCCN[C@H](C)c1cnc2ccsc2c1 90450983 YSDFXBNROZARKL-GFCCVEGCSA-N 276.405 3.540 30 20 CHED CCc1ccc([C@@H]2CCN(Cc3cccc(C#N)n3)C2)cc1 1182072385 PCUANNJQNHTVNT-QGZVFWFLSA-N 291.398 3.505 30 20 CHED CCCCCCCCNC(=O)N(C)CC1CCC1 1191064185 QXNVMKMNJJXVDM-UHFFFAOYSA-N 254.418 3.788 30 20 CHED C/C(=C/C(C)(C)C)C(=O)O[C@H](CC#N)c1ccco1 1347949082 QEFTVWWTVCBZNI-BSYHEUMXSA-N 261.321 3.770 30 20 CHED CCCCC[C@@H](C)CC(=O)[C@@H](C#N)c1nccn1CC 1344325678 BRAQJLIPIPXNNY-ZIAGYGMSSA-N 275.396 3.686 30 20 CHED N#CCc1cccc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)n1 1344476301 MLKJSXAIUFBMOV-LSDHHAIUSA-N 283.762 3.769 30 20 CHED C=C(CC)C(=O)Nc1ccc2nc(C3CC3)oc2c1 1349288468 NMRXFHSDZHZCCO-UHFFFAOYSA-N 256.305 3.610 30 20 CHED C=C[C@@H](COC)N[C@@H](CC)c1cc(Cl)ccc1OC 1342732991 NSVCZFMAZFRYPS-JSGCOSHPSA-N 283.799 3.590 30 20 CHED C=C(Br)CN1CCC[C@@H]1[C@@H](C)CCC 1192174425 ROKNKWAVCZYSBU-CMPLNLGQSA-N 260.219 3.796 30 20 CHED CC(C)(C)CCCC(=O)O[C@H](CC#N)c1ccco1 1263660983 WDJTYRFIQGZGEP-CYBMUJFWSA-N 263.337 3.994 30 20 CHED C=CC(C)(C)c1nnc(-c2cn(C)c3ccccc23)o1 1261574236 RVGAKBSKPOMJFF-UHFFFAOYSA-N 267.332 3.692 30 20 CHED COc1ccccc1C1(NC[C@@H](C)CCC#N)CCC1 1349613281 ZLIZAJXFPYANIX-AWEZNQCLSA-N 272.392 3.604 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1cccc(F)n1 1344004575 LVGFORVBBIPBTR-CABCVRRESA-N 296.345 3.666 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1cc(C#N)cs1 1358307994 FCKTYMQFCATCOW-JTQLQIEISA-N 287.340 3.546 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 1351645370 LHVFMDQVFLWOOU-ZFWWWQNUSA-N 293.432 3.639 30 20 CHED C[C@@H](Nc1nc(C(C)(C)C)ns1)c1cccc(C#N)c1 1353041985 AEFKMAGOYVOEAV-SNVBAGLBSA-N 286.404 3.880 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 1351645369 LHVFMDQVFLWOOU-UKRRQHHQSA-N 293.432 3.639 30 20 CHED N#Cc1cc(C(=O)NCC2CCCCCCC2)ccc1F 1527649786 RLRZFKFUYBYFRI-UHFFFAOYSA-N 288.366 3.788 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 1521711918 RABQCNZIBXMJGB-GJZGRUSLSA-N 298.386 3.916 30 20 CHED C=C(Cl)COC(=O)Cc1ccc(C(F)(F)F)cc1 805782742 OFEMDMVNGGDDKR-UHFFFAOYSA-N 278.657 3.544 30 20 CHED C=CCC(C)(C)COC(=O)C12CCC(C(=O)O)(CC1)CC2 1609290795 YEPKVSOCNYVICT-UHFFFAOYSA-N 294.391 3.557 30 20 CHED CCC[C@H](CC)C(=O)O[C@@H](C)c1cccc(C#N)c1 1544187849 VZAXIPBGHVOUOP-JSGCOSHPSA-N 259.349 3.989 30 20 CHED C=C[C@H](C(=O)Nc1cnc(C)nc1C1CC1)c1ccccc1 1548700119 QUTQEPXDLYIUHM-HNNXBMFYSA-N 293.370 3.571 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNc1cccc(C#N)n1 1559212208 DSWNLSWQSROYRM-ZIAGYGMSSA-N 257.381 3.972 30 20 CHED N#Cc1nc(N[C@@H]2CSc3ccccc32)sc1Cl 1559112975 TWGOFRQAXBGXQX-SECBINFHSA-N 293.804 3.927 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 1564828136 WAYVIOABJCJBSY-GJZGRUSLSA-N 292.810 3.622 30 20 CHED CCC[C@H]1CN([C@@H](C)CCC#N)CCN1Cc1ccccc1 1642391935 KCUMCHOVSSXHDW-HKUYNNGSSA-N 299.462 3.665 30 20 CHED C=C(Cl)CN([C@H](C)COC)[C@@H]1CCc2ccccc21 1644046622 NHPLROUEKSAIEG-CZUORRHYSA-N 279.811 3.763 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1F)c1ccccc1 1642809211 CSVPAAMNMDDGKF-CQSZACIVSA-N 255.296 3.656 30 20 CHED CC(C)CC1CCN(Cc2ccc(C#N)cc2F)CC1 1658416972 BJVDLLAKJCALTP-UHFFFAOYSA-N 274.383 3.955 30 20 CHED CC[C@H]1CCC[C@H]1CNc1c(C#N)nnc2ccccc12 1651861450 ZEBSZMMVBOFLGC-STQMWFEESA-N 280.375 3.740 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1nc(C)ccc1C#N)CCC2 1651661600 IJERGIMQXFZTBZ-KRWDZBQOSA-N 293.370 3.760 30 20 CHED CCCOc1ccc(Nc2ncc(C#N)cc2F)cc1 1655281123 SRJAXNFTZRAVRU-UHFFFAOYSA-N 271.295 3.625 30 20 CHED Cc1ccc(CN(C)c2snc(C)c2C#N)cc1C 1655567678 XZIUINWZLXGTQY-UHFFFAOYSA-N 271.389 3.576 30 20 CHED N#Cc1ccccc1OCCN1CCC(C2CCCC2)CC1 1653495216 UCKLLNBSUFPOHT-UHFFFAOYSA-N 298.430 3.839 30 20 CHED C=C[C@H](Nc1cccc(CSC2CCCC2)c1)C(=O)O 1588702226 NKFGDINSKITLDW-HNNXBMFYSA-N 291.416 3.914 30 20 CHED CC[C@H](CC#N)N[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1664167135 SRPKWSWFJRSROK-KBMXLJTQSA-N 272.392 3.514 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(OC)c(C#N)c1 1595801712 AEBPPXUTSQRSQL-IUODEOHRSA-N 286.375 3.722 30 20 CHED Cc1cccc(C#N)c1SCCC1(C(=O)O)CCC1 1594386933 RVYSCGKYHWPQSD-UHFFFAOYSA-N 275.373 3.604 30 20 CHED N#Cc1cccc(CN2CCC[C@H]3CCCC[C@H]32)c1 217666162 SKJWGHFWLIXAHV-IAGOWNOFSA-N 254.377 3.713 30 20 CHED COc1cc(/C=C\C(=O)C2CCCCC2)ccc1C(=O)O 1777287529 HCJAXAOSIPDDDD-NTMALXAHSA-N 288.343 3.556 30 20 CHED C=CC[C@]1(C(=O)O)CCN(CC[C@@H]2CCC[C@H](C)C2)C1 1776160706 XGDPFEMOYYVFOX-ZOBUZTSGSA-N 279.424 3.556 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C(=O)O)s2)cs1 1777420953 UKGVJJCPTAZHTA-NSCUHMNNSA-N 278.354 3.712 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccc(Br)s1 121606997 BNNODYRPYIVIJE-ZDUSSCGKSA-N 299.642 3.512 30 20 CHED CCCON=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1 1776082748 OCLBMIARQCMASZ-UHFFFAOYSA-N 283.327 3.812 30 20 CHED CC(C)c1ccc(N(C)C[C@H](O)c2ccc(C#N)cc2)cc1 158244162 UYRRJKPGMQXSDX-IBGZPJMESA-N 294.398 3.851 30 20 CHED C=CCN(CCc1ccccc1)CCc1c(C)noc1C 165045058 SJYGYAVXPFJEDO-UHFFFAOYSA-N 284.403 3.565 30 20 CHED Cc1ccc(/C=C/C(=O)c2cn(-c3ccccc3)nn2)s1 165054704 JYIBZLBJDOZYCT-MDZDMXLPSA-N 295.367 3.533 30 20 CHED C#CCCCCC(=O)N[C@H](CC(C)(C)C)C(F)(F)F 155057705 GNOSYFPQFGMDJE-LLVKDONJSA-N 277.330 3.663 30 20 CHED N#Cc1cccc(OCc2noc(C3CCCCC3)n2)c1 159055500 NEZSHHOIZCVJDP-UHFFFAOYSA-N 283.331 3.568 30 20 CHED Cc1ccc(C)c(NCc2cc(C#N)ccc2F)c1 20056049 HQULYRGDRMVLIT-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=CCCCCCCNC(=O)Nc1cccc(C#N)c1 806119311 VLTMGTDFAHWITO-UHFFFAOYSA-N 271.364 3.816 30 20 CHED N#Cc1cccc(C[S@](=O)Cc2ccc(Cl)cc2)c1 107938400 FAWCPIZOPDSIKF-IBGZPJMESA-N 289.787 3.661 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2C2CCCC2)c1 44352400 GCDLZEXHVDTSGO-KRWDZBQOSA-N 254.377 3.713 30 20 CHED N#Cc1c(Cl)cccc1NCc1cccc2c1OCO2 48553065 IPVAAETYPSGVKD-UHFFFAOYSA-N 286.718 3.552 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)nc(C(C)C)n1 301080099 SOUOTFXVGYQATQ-UHFFFAOYSA-N 253.305 3.572 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)CCO1 70349851 CCTMGSLXYVEWLQ-DZGCQCFKSA-N 278.783 3.827 30 20 CHED C[C@@H]1CCC[C@H](CNCc2ccc(OCC#N)cc2)C1 193696541 XMBXRUFWCCLSDD-ZBFHGGJFSA-N 272.392 3.505 30 20 CHED C[C@H]1C[C@@H](C)CN1c1cc(Br)c(C#N)cc1F 310123673 FFTRXZWOIUSOLX-BDAKNGLRSA-N 297.171 3.695 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc3[nH]ccc23)C1 617785800 OHNNLCZGOTYXMI-ZDUSSCGKSA-N 268.360 3.596 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC1CCCC1 471487730 JLHNHKCTAJNHFL-UHFFFAOYSA-N 272.392 3.717 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCc1ccc(Cl)c(Cl)c1 716319165 VOCQNMNEKXMEEA-AWEZNQCLSA-N 299.201 3.592 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC)c(Cl)c1 393749609 BBCGROSFYSKQNW-LBPRGKRZSA-N 253.773 3.793 30 20 CHED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 61614106 LVMJZQDZYUJADF-CQSZACIVSA-N 270.719 3.586 30 20 CHED C[C@@H](SCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 7210742 FBMKTMIVYVNOSD-CYBMUJFWSA-N 296.395 3.991 30 20 CHED C=CCN(CC=C)C(=O)c1oc2c(C)cccc2c1C 53060844 HKJCQIRGUOHVDN-UHFFFAOYSA-N 269.344 3.864 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1C 104817330 JFVOPDBGMXAIAN-YOEHRIQHSA-N 299.418 3.668 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)Cc2cc(F)ccc21 172044781 OQJYVSZHNSWVDW-GHXNOFRVSA-N 256.251 3.787 30 20 CHED CCCCNc1ccccc1C(=O)N(CC)C[C@@H](C)C#N 119049139 VQQUBTBBBLZSKA-AWEZNQCLSA-N 287.407 3.520 30 20 CHED C=CC1CCN(C(=O)C(C)(C)c2ccc(F)cc2)CC1 110362469 RHSDMGTWJKQAHD-UHFFFAOYSA-N 275.367 3.528 30 20 CHED CC(C)Sc1ccccc1C(=O)NCCCCC#N 171508009 FPJSSXQEVMTFKC-UHFFFAOYSA-N 276.405 3.611 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(-c2nccc(C)n2)cc1 117007691 FOSNPFVPZRFZNZ-LBPRGKRZSA-N 296.374 3.538 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 60528949 BFMWKZGXUXVELQ-BQYQJAHWSA-N 299.330 3.512 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCCC(F)(F)C1 409631954 MTQYRKKEQUHDJL-OLZOCXBDSA-N 288.382 3.856 30 20 CHED CC(C)[C@H](CNCc1ccc(C#N)o1)c1ccccc1 174259349 NJASJUVPKJKVLT-KRWDZBQOSA-N 268.360 3.681 30 20 CHED CC(C)c1cccc(N/C(N)=N/Cc2ccccc2)c1 303704720 KLHVJMWLYDJXKM-UHFFFAOYSA-N 267.376 3.737 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)Cc1ccccc1 117591693 DDUCYAGQAUHDLO-UHFFFAOYSA-N 259.393 3.680 30 20 CHED N/C(=N/CC1CC1)Nc1cccc(Oc2ccccc2)c1 304507390 VEFCESSUBDSYJX-UHFFFAOYSA-N 281.359 3.616 30 20 CHED CC(C)CC1(CNc2c(C#N)cccc2C#N)CC1 302886141 MXWNVPKCCAZIPC-UHFFFAOYSA-N 253.349 3.668 30 20 CHED C=CCCCC(=O)Nc1sc2c(c1C#N)CCCC2 175596444 ZQCIZMXNGAVQRP-UHFFFAOYSA-N 274.389 3.793 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)C1CCCCC1 229748319 RSVBXOGQLLESDE-UHFFFAOYSA-N 260.356 3.852 30 20 CHED N#Cc1ccc(Cn2ccc(-c3ccsc3)n2)c(F)c1 111178508 YLXUVVKQYOQPSH-UHFFFAOYSA-N 283.331 3.671 30 20 CHED CCCCCCCC(=O)Oc1cc([N+](=O)[O-])ccc1OC 112879978 CGJPGGKQIOWPTH-UHFFFAOYSA-N 295.335 3.869 30 20 CHED COCc1cccc(COc2cc(C#N)ccc2C)c1 446945645 IGTJDUYBRXYYRR-UHFFFAOYSA-N 267.328 3.592 30 20 CHED C=CC1CCN(C(=O)c2ccc(O[C@@H](C)CC)cc2)CC1 176440062 MUSYZXWEFDXSSH-AWEZNQCLSA-N 287.403 3.902 30 20 CHED C[C@H](SC(=S)N1CCCC1)c1ccc(C#N)cc1 118173031 JCHGKQOKVWWARQ-NSHDSACASA-N 276.430 3.733 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 69358854 OVXJCNRJGQBEMZ-KBPBESRZSA-N 291.391 3.784 30 20 CHED CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C(C)C 171370239 IOSCRQVODKLETB-UHFFFAOYSA-N 273.380 3.750 30 20 CHED C[C@@]1(Cc2ccccc2)CCCN1c1ncccc1C#N 302215476 HKIYMLMMWIOLOE-SFHVURJKSA-N 277.371 3.555 30 20 CHED CCC[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCO1 301831207 IDKJWSMXILTAFM-CYBMUJFWSA-N 298.308 3.582 30 20 CHED CC(C)c1cccc(CNCc2ccc(C#N)cc2)c1 479399940 WYVTYTLAZQNPPO-UHFFFAOYSA-N 264.372 3.971 30 20 CHED C=C[C@H](CC(=O)N(C(C)C)C1CC1)c1ccccc1 128807281 GRKMGDCYTHJILP-CQSZACIVSA-N 257.377 3.746 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1cccs1 37748779 DJSGEAJGWKIEQY-AWEZNQCLSA-N 256.374 3.861 30 20 CHED C=CCCOCCNc1cc(C)nc2c(F)c(F)ccc12 302765911 ZOSIPBSEJPHPNE-UHFFFAOYSA-N 292.329 3.826 30 20 CHED Cc1ccc(N/C(N)=N\C[C@H](C)c2ccccc2)cc1 303793241 ZESFMVYMZMEOPD-AWEZNQCLSA-N 267.376 3.525 30 20 CHED C=CCC[C@@H](NC(=O)/C=C/c1ccc[nH]1)c1ccccc1 188588464 YMOWMWPCHKJNSM-GZKZCVOOSA-N 280.371 3.852 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1OCC(F)F 120308816 RODCXMVHBLZSHS-UHFFFAOYSA-N 298.333 3.760 30 20 CHED COc1ccc([C@H](C)N(C)c2ccc(C#N)cc2F)cc1 301499181 CWBMHVGVPUMBJQ-LBPRGKRZSA-N 284.334 3.903 30 20 CHED CC[C@@H](CC#N)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 183964042 QHKDCLUULVOUNK-QWHCGFSZSA-N 298.308 3.531 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1ccccc1 180372537 WNBAFYGRKKFKNB-UONOGXRCSA-N 260.381 3.792 30 20 CHED Cc1ccc(CCSc2nnc(C)c(C)c2C#N)cc1 182707304 QATUBRZFGVZDPL-UHFFFAOYSA-N 283.400 3.608 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N[C@@](C)(C#N)C(C)C 125741055 VXRRYUGSSVBEFY-YHVDPYDOSA-N 290.794 3.798 30 20 CHED C[C@@H](NC(=O)c1cccc2cc[nH]c12)c1cccc(C#N)c1 75273959 ANEQVZOGFBZFOC-GFCCVEGCSA-N 289.338 3.531 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 185970163 VSYXLBHPUABIMV-SOLBZPMBSA-N 284.403 3.830 30 20 CHED C=CCCC1(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)CC1 411116511 VTOLTLRZCUFSJX-AWEZNQCLSA-N 289.394 3.962 30 20 CHED CCCCS[C@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 75267485 IGMRHGRRGLNJTG-CHWSQXEVSA-N 290.432 3.657 30 20 CHED CN(C(=O)CCCc1ccccc1)c1ccccc1C#N 128652036 FGLBAWHNWHJQCK-UHFFFAOYSA-N 278.355 3.544 30 20 CHED C=C(C)CCc1noc(CCc2cc(F)ccc2F)n1 508612577 ATNSTZLXSQWIEU-UHFFFAOYSA-N 278.302 3.642 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 180948640 HASAVOYTIUSNNH-NWDGAFQWSA-N 278.352 3.609 30 20 CHED C=CCOCCSCc1ccccc1SC 419466395 VSKACVQBRCTQKK-UHFFFAOYSA-N 254.420 3.844 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1F)c1nc2c(s1)CCC2 413397818 QVCYLFJGKRMZSO-SECBINFHSA-N 287.363 3.816 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 315523414 KDTGFYSORWIAIY-FMNGTHHXSA-N 297.358 3.703 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 122520341 YQNRDUJYGRSPDK-NVXWUHKLSA-N 286.375 3.744 30 20 CHED CCN(CC#N)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 78090780 FRCWOSXRLSOEPW-NSHDSACASA-N 298.308 3.571 30 20 CHED CC(C)CN(CC(C)C)C(=O)CSCC1(C#N)CCC1 419593492 ZYVWGBBZECLOAW-UHFFFAOYSA-N 296.480 3.554 30 20 CHED COc1ccc(OC)c(/C=C\C(=O)c2cccc(C)c2)c1 210605720 CZZNOWZVGKRFIE-CLFYSBASSA-N 282.339 3.908 30 20 CHED CSc1ccccc1CN(C)c1nc(C)ccc1C#N 343084458 FQPGCDNVFKVOAL-UHFFFAOYSA-N 283.400 3.620 30 20 CHED C=CCC[C@@H](NCc1ncc(-c2ccccc2)cn1)C1CC1 186059642 QIJOJEFBXHOFSO-GOSISDBHSA-N 293.414 3.978 30 20 CHED C=C(CC)Cn1nnc(-c2ccc(Cl)cc2)c1C 418993685 AUVKYYNPNYDDHN-UHFFFAOYSA-N 261.756 3.873 30 20 CHED COCCOc1cc(C)ccc1N[C@@H]1CCC[C@H](C#N)C1 185722480 XQCCMFINUZDYAC-LSDHHAIUSA-N 288.391 3.515 30 20 CHED COc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1[N+](=O)[O-] 317157200 JAFVIMFBFZHQCB-NSHDSACASA-N 297.314 3.648 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(SCC)cc1 504719668 CGJAHCRRCATTRR-GFCCVEGCSA-N 263.406 3.942 30 20 CHED C#CCCCCC(=O)N1CCc2cc(OCCC)ccc2C1 120034945 KCMZMADIZIJEKW-UHFFFAOYSA-N 299.414 3.554 30 20 CHED CSCc1ccccc1NC(=O)Cc1ccc(C#N)cc1 186067402 UJDZRRBXHCZFLG-UHFFFAOYSA-N 296.395 3.602 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)N[C@@H](CCC#N)c1ccccc1 186668893 DHMBGNGAIVTJHG-UAGQMJEPSA-N 284.403 3.974 30 20 CHED C=CCCN(C)c1ncc(Cl)cc1Br 379517499 ZNROBLBVHPGEEV-UHFFFAOYSA-N 275.577 3.510 30 20 CHED N#Cc1cccc(CSCCC2CCOCC2)c1F 419479790 OWYQIRAQSOJVAS-UHFFFAOYSA-N 279.380 3.747 30 20 CHED C[C@@H](CC(=O)NC1(C#N)CCCCC1)C1CCCCC1 504567512 DNUGCARVZYQPMS-AWEZNQCLSA-N 276.424 3.936 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1c1ncc(C#N)cc1F 413322827 HMYMHDROJYTYLG-XJKCOSOUSA-N 295.361 3.863 30 20 CHED CC(C)CCCCC(=O)Nc1ccc(F)cc1C#N 410553598 AQVLQJPCXLMHJE-UHFFFAOYSA-N 262.328 3.852 30 20 CHED CCCCCc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1 501271023 VMDFWLXHFYGHOR-UHFFFAOYSA-N 281.359 3.871 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(CC(C)(C)C)nn1C 131869043 AUFYYXSGDYVPQW-UHFFFAOYSA-N 289.423 3.716 30 20 CHED C#CCCCC(=O)Nc1ccc(O[C@H](C)CC)cc1 192088400 VUWHQENJYHGVRS-CYBMUJFWSA-N 259.349 3.606 30 20 CHED CC[C@H](CC#N)NC(=O)c1[nH]c2c(Cl)cccc2c1C 412254079 SCCUOHZMSBZJCP-SNVBAGLBSA-N 289.766 3.552 30 20 CHED N#CC1(CCS[C@H]2CCCOC2)CCCCC1 413001017 OXARBPITCVDFIJ-ZDUSSCGKSA-N 253.411 3.763 30 20 CHED CC(C)(C#N)CCN[C@H]1CCC[C@H]1c1ccccc1 133448640 SOXLCXOOVGAUBX-HOTGVXAUSA-N 256.393 3.852 30 20 CHED C=CCC1(C(=O)Nc2ccccc2C(C)=O)CCC1 191838895 LAGSHFFGJBXSEZ-UHFFFAOYSA-N 257.333 3.574 30 20 CHED O/C(=N/[C@@H]1CCCc2occc21)[C@@H]1CCc2cccnc21 329334991 XOOKNCZMGVYSPF-ZIAGYGMSSA-N 282.343 3.739 30 20 CHED CC[C@@H]1C[C@]1(NCc1cc(C#N)n(C)c1)c1cccc(C)c1 500480967 IAVLFYRQLOFUEV-VQIMIIECSA-N 293.414 3.620 30 20 CHED CC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 135096008 ZODUJQVVHJOPQB-UHFFFAOYSA-N 256.393 3.720 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(Cl)c1F 44765360 MHVSUFSMVJHKFT-UHFFFAOYSA-N 268.719 3.748 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/Cc2cnc3ccccc3c2)CCC1=O 328956918 NVBMKZNDBQUVKW-IUODEOHRSA-N 296.370 3.697 30 20 CHED CC(C)N(Cc1ccc(O[C@H](C)C#N)cc1)CC1CCC1 195080228 HJQFZKPZIAPNAL-OAHLLOKOSA-N 286.419 3.988 30 20 CHED CC(C)(CCC#N)CNCCc1cccc2cccnc12 135143019 SDPJRYYLPDHDLQ-UHFFFAOYSA-N 281.403 3.697 30 20 CHED CCN(C)c1ccc(/C=C2/CCc3ccccc3C2=O)cn1 191209130 YZADZRIFKAYWSV-VBKFSLOCSA-N 292.382 3.750 30 20 CHED C[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)cc2Cl)C1 429627250 ZOFHHOQJTBBYDD-ZYHUDNBSSA-N 291.782 3.864 30 20 CHED C[C@H]1CCCN(c2ccc(C#N)c(Br)c2)CC1 228187546 XQGMVCYDNYWFBD-NSHDSACASA-N 293.208 3.947 30 20 CHED C=CCN(Cc1nccn1CC(F)(F)F)c1ccccc1 191972215 CTAPOIDBVONXOO-UHFFFAOYSA-N 295.308 3.638 30 20 CHED N#CCC[C@H](N[C@H]1C[C@H](N)c2ccccc21)c1ccccc1 423001093 WLMSTQGLYNKEPB-FHWLQOOXSA-N 291.398 3.766 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccsc2Cl)no1)OCC 420504717 RZWGBQDUGLGSSW-JTQLQIEISA-N 298.795 3.975 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(Cl)cc2F)C1 614912426 VDRDPUMLQUZFAF-AWEZNQCLSA-N 266.747 3.605 30 20 CHED COc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C(C)C)cc1 424336774 YPLMSTDGGBSVKK-LXZKKBNFSA-N 272.392 3.674 30 20 CHED CC(C)(C)Cc1cc(NC(=O)Nc2ccc(C#N)cc2)n[nH]1 190914562 IQBFOGJAEBOADK-UHFFFAOYSA-N 297.362 3.514 30 20 CHED C=CCC[C@H](NC(=O)c1scnc1C)c1ccccc1 133726196 MQHYFYLFIQFFRY-AWEZNQCLSA-N 286.400 3.889 30 20 CHED C=CCOCCCC(=O)N(C)C/C(C)=C/c1ccccc1 427216906 HJYHFTWUOWTNTJ-JQIJEIRASA-N 287.403 3.531 30 20 CHED O/C(=N/[C@@H]1C[C@H]2CC[C@H]1C2)Nc1scnc1C1CC1 328914740 JBZRRJUBQVOGEX-INTQDDNPSA-N 277.393 3.535 30 20 CHED Cc1ccc(/C(O)=N/[C@@](C)(C#N)CC(C)C)c(F)c1 330484019 WFFPNMFOBTYXTJ-OAHLLOKOSA-N 262.328 3.767 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 337255403 RMWGFULWYFKRET-ZDUSSCGKSA-N 288.395 3.591 30 20 CHED C[C@@H]1SCCN(CC#Cc2ccc(Cl)cc2)[C@@H]1C 427023244 MRRNJOJLUIJDSW-OLZOCXBDSA-N 279.836 3.517 30 20 CHED CC1(C)CCC(CNC(=O)c2cccc(CC#N)c2)CC1 89314671 GIQJRRBIKOFAIZ-UHFFFAOYSA-N 284.403 3.699 30 20 CHED C[C@@H]1CN(c2ncc3c(c2C#N)CCC3)[C@@H]1c1ccccc1 425229196 LCJOGLJFECNFAD-ACJLOTCBSA-N 289.382 3.639 30 20 CHED CC#CCCNCc1ccc(Cl)cc1Br 163416070 MWDPDGNDPNUVJW-UHFFFAOYSA-N 286.600 3.606 30 20 CHED CC(C)(C)c1ncc(C(=O)Nc2sccc2C#N)s1 335976365 CMZNPZSDDRJVBF-UHFFFAOYSA-N 291.401 3.626 30 20 CHED C=CCn1c(CCCC)nnc1N1CCCCC[C@@H]1C 516216904 ZMFPVIWXLOPALB-AWEZNQCLSA-N 276.428 3.576 30 20 CHED Cc1c(NC(=O)CC2CCCCC2)ccc(C#N)c1C#N 421559577 OTZHTRQNIDZETR-UHFFFAOYSA-N 281.359 3.647 30 20 CHED C[C@H](CC(=O)N(C)[C@@H](C)CC#N)Cc1ccc(Cl)cc1 92895565 YSVIIWBKCUFNCB-STQMWFEESA-N 292.810 3.669 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccccc1O 96854252 CHDPAERIXVAOKJ-YFHOEESVSA-N 290.265 3.890 30 20 CHED CC[C@H](NCCCCC#N)c1cc(C)ccc1OC 93405012 FFVMKKLYAXSSLI-HNNXBMFYSA-N 260.381 3.738 30 20 CHED COc1cccc(C)c1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331318081 GXWQZLMTEDNGHM-ZYHUDNBSSA-N 262.353 3.518 30 20 CHED CCC[C@](C)(CC)C(=O)N1CCc2c(C#N)cccc21 421655141 FWQYOFYSSCRWSD-KRWDZBQOSA-N 270.376 3.664 30 20 CHED CC(C)[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 514762021 RLQFCYPCXFPYDX-ZDUSSCGKSA-N 289.354 3.597 30 20 CHED C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@@H]2CCCC[C@@H]12 513107316 FFEOQEXHJGLTJV-QLFBSQMISA-N 291.439 3.536 30 20 CHED Cc1cc(C)c(Cc2noc(C3(C#N)CCCC3)n2)c(C)c1 332122091 CKKJNJBGDKEEGG-UHFFFAOYSA-N 295.386 3.921 30 20 CHED N#Cc1ccncc1C(=O)Nc1cc(Cl)cc(Cl)c1 334178091 DQYJXZVROQBXCN-UHFFFAOYSA-N 292.125 3.512 30 20 CHED COc1cc(OC)c(NCC(C)(C)CCC#N)cc1F 92172104 LJHCTUNWTGAOOI-UHFFFAOYSA-N 280.343 3.585 30 20 CHED C=CC[C@@H](C)NCc1ccc(C)c(Br)c1 163052233 WJLTYHHDBSSMHU-LLVKDONJSA-N 268.198 3.812 30 20 CHED C=CCC(CC=C)C(=O)OCc1nc(C2CC2)cs1 91140308 BJRBPYVAOILNSC-UHFFFAOYSA-N 277.389 3.832 30 20 CHED C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccncc1F 338019038 PEZZXEZCMKJBAE-QWRGUYRKSA-N 287.313 3.643 30 20 CHED C=C(C)COc1cc(CN2CCC=C(C)C2)ccc1OC 437342099 FZPQWVSBNQMBKD-UHFFFAOYSA-N 287.403 3.802 30 20 CHED CC1(C)CCC(c2noc(-c3ccnc(C#N)c3)n2)CC1 232838245 BCFQBZYUIIFPPE-UHFFFAOYSA-N 282.347 3.687 30 20 CHED CC(C)c1cc(/C(O)=N/C[C@H]2CC[C@@H](C)C2)no1 331061282 CFATZFRHAZYVMD-MNOVXSKESA-N 250.342 3.539 30 20 CHED CC[C@H](/N=C(/O)c1oc2c(C)ccc(C)c2c1C)[C@H](C)O 331354947 PZNIEYMKGAENHN-STQMWFEESA-N 289.375 3.822 30 20 CHED N#Cc1ccc(C(=O)N(C2CCC2)C2CCC2)cc1Cl 334322582 YGCVTWAOOHSCDI-UHFFFAOYSA-N 288.778 3.759 30 20 CHED CCCc1occc1/C(O)=N/C[C@@H]1CCCO[C@@H]1C(C)C 330385055 LAYWCANKGRHPRK-XJKSGUPXSA-N 293.407 3.988 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccnc(OC3CCCCC3)c2)C1 521531463 KAWVYBLUADGSHL-GOEBONIOSA-N 299.418 3.575 30 20 CHED CC(C)(C#N)CCN1CCC[C@@]2(CCc3ccccc3O2)C1 528728099 ITQKITFAZUFCAO-LJQANCHMSA-N 298.430 3.786 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 522975500 BLLUARSVZDBMPT-SNVBAGLBSA-N 285.347 3.515 30 20 CHED N#Cc1ccnc(N2CCc3c(F)ccc(F)c32)c1Cl 432170914 XAYMHSIGLWFXNN-UHFFFAOYSA-N 291.688 3.579 30 20 CHED C=CC[C@@H](C)NC(=O)c1csc2c1CC[C@H](C)C2 523962936 MOWUOYSYRAWHPV-WDEREUQCSA-N 263.406 3.567 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2c(c1)CCC1(CCC1)O2 529707560 NBKHQWHKYYBYKY-QGZVFWFLSA-N 298.386 3.813 30 20 CHED N#Cc1ccc(SCCOCC(F)(F)C(F)F)cc1 344735572 WZPWWTYQXXBRTD-UHFFFAOYSA-N 293.285 3.567 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1ccc(C)cc1 432557357 LZTNAYJMUYCAIQ-UHFFFAOYSA-N 274.408 3.739 30 20 CHED CC[C@H](NCc1cccc(C#N)c1F)c1nc(C)cs1 347637317 NTDSRFAQFVPIAC-ZDUSSCGKSA-N 289.379 3.703 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)c1cc(C#N)cs1 529798419 CNAFFQDPUBZRTF-OAHLLOKOSA-N 298.411 3.761 30 20 CHED C=CCCCCCN(C)C(=O)c1ccnc(C2CC2)c1 341240807 NDOCAFHKCYNZNO-UHFFFAOYSA-N 272.392 3.777 30 20 CHED N#Cc1cccc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 602646281 NQNRPEFWPAYVOP-WJYNOGRTSA-N 297.789 3.642 30 20 CHED C=C[C@@H](CC(=O)N(C)C(C)(C)CC)c1ccccc1 527444355 WDAPQMASNQHMLY-AWEZNQCLSA-N 259.393 3.993 30 20 CHED COCCOc1c(Cl)cccc1NC[C@H](C)CCC#N 602494779 UXNGQHWFIFSPQC-GFCCVEGCSA-N 296.798 3.717 30 20 CHED CC(C)[C@@H]1C[C@H](N=c2cc[nH]c(C#N)c2)c2ccccc21 343084219 NLBDWGZSNHTDKE-ROUUACIJSA-N 277.371 3.672 30 20 CHED COc1ccc(C)cc1[C@H](C)NC[C@H](C)CCC#N 602510262 GLUPEEIXXYMXGJ-KGLIPLIRSA-N 260.381 3.594 30 20 CHED Cc1noc(C)c1CSCc1cccc(C#N)c1F 340851685 DYINBBRRVBCLQS-UHFFFAOYSA-N 276.336 3.736 30 20 CHED CCC(CC)(C(=O)NC[C@H](C)C#N)c1ccc(Cl)cc1 609524896 LVGATNDDJBVHKZ-GFCCVEGCSA-N 292.810 3.674 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc2ccoc2c1 343953740 ACUCBPIQAGNUOK-INIZCTEOSA-N 273.332 3.600 30 20 CHED Cc1cc(C#N)ccc1OCc1ccc(CC#N)cc1 542219360 QCZDDKHTNSUXNG-UHFFFAOYSA-N 262.312 3.512 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC(F)F)c(OC)c1 341451099 DFGFMPOOMPSVFQ-GFCCVEGCSA-N 285.334 3.741 30 20 CHED C=CCC[C@H](NCC[C@@H]1CCOC1)c1ccccc1 346860124 INJTUCPYHNPRRF-WBVHZDCISA-N 259.393 3.710 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)CCC1CCCCC1 604248058 YULISGVYQGXEPP-HUUCEWRRSA-N 281.440 3.833 30 20 CHED CCc1nc(CN[C@@H]2CCCc3cc(C#N)ccc32)cs1 341692793 FFAGDTOAMRRCEQ-MRXNPFEDSA-N 297.427 3.744 30 20 CHED N#CCCCNc1cnc2cc(Cl)c(Cl)cc2n1 343610219 TTXSCGFYKXKPIN-UHFFFAOYSA-N 281.146 3.652 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2cccc(OCCCC#N)c2)C1 345189736 SFSYFWDBHZELKX-KBPBESRZSA-N 286.375 3.744 30 20 CHED Cc1cc(C)n(-c2cccc(NC[C@@H](C)CCC#N)c2)n1 602492370 QOXUXUHCIKWEDW-ZDUSSCGKSA-N 282.391 3.841 30 20 CHED C[C@@H]1CN(Cc2cc(F)ccc2C#N)CC(C)(C)C1 544117331 QKNZJOQOALGJGV-LBPRGKRZSA-N 260.356 3.565 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc2occc2s1 609875412 OESXSBLPNCCOOV-UHFFFAOYSA-N 290.388 3.896 30 20 CHED C#CCCCNC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 255070676 UVRHGVIZAJCADI-BENRWUELSA-N 295.304 3.638 30 20 CHED Cc1cc(NC(=O)/C=C\c2ccccc2C#N)cnc1Cl 255905289 LVOBWOYMIAPPCR-SREVYHEPSA-N 297.745 3.567 30 20 CHED Cc1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)cc1F 357326640 QAQAEPNSFJRHCB-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C[C@H](SCC1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 359161860 OZHOTKFODKSARD-VIFPVBQESA-N 294.807 3.682 30 20 CHED C=CCCc1nc(Cn2c(C(C)C)nc3ccccc32)no1 445656541 JOMJKSANZIKFTF-UHFFFAOYSA-N 296.374 3.710 30 20 CHED C=CC1CCN(CCOc2ccc(SC)cc2)CC1 441392715 JPWBWKYPJRLWDQ-UHFFFAOYSA-N 277.433 3.685 30 20 CHED N#CCCCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 359988963 ZKZYNBKEWOPHOS-GOSISDBHSA-N 296.345 3.725 30 20 CHED C=CC(C)(C)C(=O)NCC(C)(C)c1ccc(C)cc1 448894974 CDTIANRIVGRGMA-UHFFFAOYSA-N 259.393 3.601 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1C[C@@H](C)C[C@H](C)C1 356769042 MICHFHWITLXXQU-GJZGRUSLSA-N 278.440 3.847 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc2cccnc2c1 602277572 AFHHCAIFHDMXCU-UHFFFAOYSA-N 295.386 3.827 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(CC(F)(F)F)c2)C1 442850657 DMHOQHBUXYYHNQ-WCQYABFASA-N 268.282 3.896 30 20 CHED C=CCC1(CNC2CCC(COC)CC2)CCCC1 449606048 PEJRDFYNKBXTFP-UHFFFAOYSA-N 265.441 3.918 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](c1ccccc1)C1CC1 538612531 XSOVAPRDRLNSRZ-HOTGVXAUSA-N 272.392 3.792 30 20 CHED C=CCC[C@H](NC(=O)C(=O)c1ccccc1)c1ccccc1 350511395 KGKXMCDRSQELBZ-KRWDZBQOSA-N 293.366 3.693 30 20 CHED CCc1cc(C#N)ccc1OCc1ccc(F)cc1C#N 442091857 OUHCDKHYLCEBKK-UHFFFAOYSA-N 280.302 3.710 30 20 CHED CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)nc1 352187083 BWEXKEFITPTRAU-CYBMUJFWSA-N 293.370 3.568 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc2c1OCC(=O)N2 449327789 GMIBJPXEAPRJNY-GFCCVEGCSA-N 274.364 3.564 30 20 CHED Cc1cc(CN[C@H]2COc3ccc(Cl)cc32)ccc1C#N 443992969 YYOUOYYSSCAMBV-INIZCTEOSA-N 298.773 3.743 30 20 CHED Cc1cc(C)c2oc(=NCc3ccc(C#N)c(C)c3)[nH]c2c1 618615312 JJQIILPTQQYURG-UHFFFAOYSA-N 291.354 3.659 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H](C)c1cc(F)cc(F)c1 449298149 GDBXECIQYHFNAP-AHIWAGSCSA-N 295.373 3.639 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccccc1)C1CCCC1 448744878 CSOPEKHINKPKEY-FGTMMUONSA-N 299.414 3.625 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)C1(C#N)CCCC1 269009223 LBEYPGVQHLTBDL-CYBMUJFWSA-N 257.333 3.683 30 20 CHED N#Cc1ccc(CNCCCCOc2ccccc2)cc1F 449736971 PRWKSXLWJOFIBO-UHFFFAOYSA-N 298.361 3.646 30 20 CHED C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C1(C#N)CCCC1 266873247 LJJXEDGZCNGPFW-DOTOQJQBSA-N 296.414 3.550 30 20 CHED N#Cc1ccc(NCCOc2ccccc2Cl)cc1 531387383 JSRJJIXMVSKFSB-UHFFFAOYSA-N 272.735 3.703 30 20 CHED N#CCSCCCN[C@H](c1ccccc1)C(F)(F)F 532642434 DGJZITXKXGUXRH-GFCCVEGCSA-N 288.338 3.526 30 20 CHED CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1OC(F)F 537855025 RIELNDASIAXVNS-BXUZGUMPSA-N 294.345 3.923 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccccc1)C1CCCC1 533064587 MSVBRBNSJAKQSA-ZWKOTPCHSA-N 273.420 3.835 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2cccc(C)c2)cn1 530265846 MCBRZLDQNVCTEM-GOSISDBHSA-N 293.370 3.935 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2NCC(C)(C)CC#N 459736243 UHLZGEASBOXFIR-INIZCTEOSA-N 272.392 3.602 30 20 CHED C=CC(C)(C)C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F 451825727 DGHNSCWYODIDPH-ZDUSSCGKSA-N 299.336 3.736 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2sccc2C#N)C[C@H]1C 459867240 YQPCIXOLGJKUPM-MXWKQRLJSA-N 262.378 3.631 30 20 CHED C=CCC1(C(=O)N(C)C[C@H]2CCCC[C@@H]2O)CCCCC1 450467606 JHQOBOOQADSVHD-CVEARBPZSA-N 293.451 3.523 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](OCC(C)C)C2)CCCCC1 450109449 AYTKZFGLFODFFM-MRXNPFEDSA-N 293.451 3.787 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 452540900 KKGNXFFPOVLTCC-RHSMWYFYSA-N 274.408 3.712 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)C(CC)CC)C1 617781675 RNJXHOVUODGNFR-KBPBESRZSA-N 251.414 3.873 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(-c3nccs3)cc2)C1 531555137 AOWXLAWQXCYAJQ-UHFFFAOYSA-N 297.383 3.688 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 617611070 LFOZEYMORQOPEG-WDEREUQCSA-N 284.186 3.789 30 20 CHED CC(C)(C#N)CNC1CCC(c2ccc(O)cc2)CC1 612585933 ZASLRKMHGNXTIM-UHFFFAOYSA-N 272.392 3.558 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Br)co1 457723436 YDAJVAKDGGSUAL-VIFPVBQESA-N 286.169 3.517 30 20 CHED CC1(C)CO[C@@H](c2ccccc2)CN1CC1(C#N)CCC1 450342396 AEGJAEFJFSQSET-MRXNPFEDSA-N 284.403 3.532 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(Cl)c1F 454252480 DMTYSPNPWFOCKE-UHFFFAOYSA-N 270.735 3.813 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(F)cc2C#N)C1(C)C 610577735 CXVKYXXDUUKDCW-DZGCQCFKSA-N 286.350 3.874 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc(F)cc1C#N 618693787 PFFXLDLTRUTJGT-QGZVFWFLSA-N 277.302 3.668 30 20 CHED C=CC[C@@H](C(=O)NCCC(C)(C)F)c1ccccc1 618411114 VUOGJBPTTNBMAZ-CQSZACIVSA-N 263.356 3.601 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cn(C(C)(C)C)nn1 279647907 KBDPSLDKQCGPSV-UHFFFAOYSA-N 298.434 3.611 30 20 CHED C[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)s1 457757296 XFMOKNTZQLNWPX-SECBINFHSA-N 299.827 3.654 30 20 CHED COc1ccccc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 618803522 XMAQNROLPYNKMF-UGSOOPFHSA-N 292.382 3.905 30 20 CHED C=C(C)[C@H](NC(=O)CC(C)(C)OC)c1ccc(F)c(F)c1 278829834 QNDBEPFEOXNCLI-HNNXBMFYSA-N 297.345 3.513 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 271432112 DWFOJVJLJKZGOR-KBPBESRZSA-N 289.423 3.832 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 611286107 UMPSUFLHWMGNCR-UWVGGRQHSA-N 299.201 3.905 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cccc(-c3ccccn3)c2)C1 612406069 HQVVBIRWKLFVKI-IBGZPJMESA-N 291.398 3.874 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc[nH]c2C(C)C)C1 617779042 TZYZFCSHLOGRLJ-ZDUSSCGKSA-N 260.381 3.566 30 20 CHED CC(C)c1ccsc1C(=O)NCC(C)(C)CC#N 457994209 XLXIYECVZWOWAB-UHFFFAOYSA-N 264.394 3.541 30 20 CHED CC(C)(CC#N)CNCCc1ccc(F)cc1Cl 459683902 BLMJLXSPIGPDBG-UHFFFAOYSA-N 268.763 3.551 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC[C@@H](C)C#N)CCC2 543806417 CAXUEIZAHLKWDI-GUYCJALGSA-N 299.418 3.646 30 20 CHED N#Cc1cccnc1N1CCC(=Cc2ccccc2F)CC1 362561360 RCOHOTLABUMYIT-UHFFFAOYSA-N 293.345 3.776 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 277241326 CQQUPRZMKDQWDT-GUDVDZBRSA-N 295.426 3.975 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N[C@]1(C)CC=CCC1 459355999 IPVMVVXXMGQTDL-QGZVFWFLSA-N 299.374 3.577 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)CC(C)(C)C1 542238935 RUTVLJHKQGXBAT-KGLIPLIRSA-N 266.429 3.809 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@H](c2ccccc2Cl)C1 549302263 CFTANAZNJHRHTN-HAQNSBGRSA-N 283.762 3.965 30 20 CHED CC(C)OCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 371781489 KUPCNWUZQAWOHJ-ZWKOTPCHSA-N 286.419 3.573 30 20 CHED CC(C)(C#N)CCCCN1CCC(c2ccncc2)CC1 278606717 FECQMHMNDOLWHM-UHFFFAOYSA-N 285.435 3.981 30 20 CHED C=CCCC(=O)N1CCCC[C@H]1c1nc2ccccc2o1 373110417 NQDONWOGAUWGDQ-AWEZNQCLSA-N 284.359 3.848 30 20 CHED N#CCC[C@@H](NC(=O)N1[C@H]2C=CC[C@H]1CC2)c1ccccc1 370925856 ZWRNFNZVGWTGFM-YESZJQIVSA-N 295.386 3.534 30 20 CHED Cc1ccnc(N2CCCC[C@H]2c2ccccc2)c1C#N 543083003 NRRRAVHOASJPIK-KRWDZBQOSA-N 277.371 3.993 30 20 CHED N#CCC[C@@H](C#N)CNCc1ccccc1OC1CCCC1 548926131 NCGXNAAKGAGMNF-HNNXBMFYSA-N 297.402 3.541 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 466779346 YZEVFRSYYOLMSK-IRXDYDNUSA-N 286.419 3.615 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(C)c1Cl 286037767 JNRYCMUQKGUEGG-ZDUSSCGKSA-N 250.729 3.527 30 20 CHED CC(C)(C)c1cnc(/C=C/C(=O)c2ccco2)s1 280642417 MVRGZFJVQJEOHV-VOTSOKGWSA-N 261.346 3.930 30 20 CHED C=CCCCN[C@H](COC)c1cccc(C(F)(F)F)c1 552978179 DJOZFLFSFLFBTN-CQSZACIVSA-N 287.325 3.949 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)C1 464158502 JWTPDRFUXVAWLN-DVOMOZLQSA-N 264.413 3.647 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCOc1ccc(Cl)cc1 466361148 PXIHLTZDAHRWHS-MRXNPFEDSA-N 295.810 3.780 30 20 CHED CC(C)[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)c2ccccc21 557673096 CNHURSXUTGSBQL-SJLPKXTDSA-N 277.371 3.672 30 20 CHED CC(C)(CCC#N)CNCCc1ccc2[nH]ccc2c1 282290999 JAIPXJAQRBKRGV-UHFFFAOYSA-N 269.392 3.630 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCCCN1CCCC 467817945 UOTQKQPEDSVPQU-QGZVFWFLSA-N 292.467 3.526 30 20 CHED C=CCC[C@H](NC(=O)c1ocnc1C1CC1)c1ccccc1 288568066 KMFLSUNQYBWYLF-HNNXBMFYSA-N 296.370 3.989 30 20 CHED Cc1ccccc1NC(=O)COc1c(C)cc(C#N)cc1C 388092275 OARLSJXUGKCJML-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 474894562 SHEAIRNLXUHNSM-RDBSUJKOSA-N 281.827 3.606 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1cc(C)ccc1OC 477001673 MGOYDKGPTMHRRN-LBPRGKRZSA-N 279.405 3.640 30 20 CHED C=C(C)[C@H](NC(=O)C[C@H]1C[C@@H]1C)c1ccc(F)c(F)c1 558563957 VSOYNAOXKIHMCD-IETSOEAISA-N 279.330 3.744 30 20 CHED C=CCN(CCC#N)Cc1ccc(C(C)C)nc1CC 293577263 NLLLLNLQDKDROV-UHFFFAOYSA-N 271.408 3.669 30 20 CHED C=C(C)[C@H](N[C@H](C)[C@@H]1CCCOC1)c1ccc(F)c(F)c1 474927663 KUBKTGIZFUWHLI-MRRJBJDNSA-N 295.373 3.987 30 20 CHED C=C(C)CSCCC(=O)Nc1cccc(Cl)c1 477012992 VGPBUQQTIJPQRS-UHFFFAOYSA-N 269.797 3.978 30 20 CHED C=CCOc1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)cc1 647499598 YJNCKLZOFXQQFY-DLBZAZTESA-N 299.414 3.902 30 20 CHED C[C@H]1CC[C@H](C=NNc2nccnc2C2CCC2)C1 807991576 OQXQCROLXABMRK-RYUDHWBXSA-N 258.369 3.578 30 20 CHED Cc1cccc(F)c1NC(=O)c1ccc(Cl)c(C#N)c1 569889924 VIWJQPNAWRICTJ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccccc1OC(C)(C)C 806273872 IJFJVUBABSZZPA-ZDUSSCGKSA-N 288.391 3.787 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H](CCC)C1 472835537 RZCHGLAXWSCIKT-AWEZNQCLSA-N 252.402 3.564 30 20 CHED C/C(=C\C(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1 805278442 ALJVWQUXRRCEKW-ACCUITESSA-N 288.366 3.675 30 20 CHED Cc1ccnc(N2CCC[C@H](Cc3ccccc3)C2)c1C#N 569883766 BZJMLVUUTSVSNJ-QGZVFWFLSA-N 291.398 3.721 30 20 CHED C=C(CNC(=O)/C(C)=C\C(C)(C)C)c1ccccc1 809243115 HAPIRLUFUOYVTI-QBFSEMIESA-N 257.377 3.808 30 20 CHED C=CCCCCCCNC(=O)CCc1scnc1C 298510690 UGHJERHDJZDBSW-UHFFFAOYSA-N 280.437 3.637 30 20 CHED C=CC(C)(C)C(=O)N1CCc2sccc2[C@@H]1CC 298166146 BXYCMDUZWHNPIL-LBPRGKRZSA-N 263.406 3.796 30 20 CHED Cc1ccc(C)c(NC(=O)[C@]2(C#N)CC23CCCC3)c1 294217719 KAQNATYJLUQDQG-QGZVFWFLSA-N 268.360 3.716 30 20 CHED C=CCOCCCN[C@H](c1ccc(F)cc1)C(F)(F)F 470872512 RXXSXUBRCYRNMQ-CYBMUJFWSA-N 291.288 3.611 30 20 CHED Cc1ccncc1CCCNc1ccc(CC#N)cc1 290239044 GONGLFRKAXNGCG-UHFFFAOYSA-N 265.360 3.501 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCC(C)(C)[C@@H]1C#N 562421731 VSOVBCZFHFEEMZ-KFWWJZLASA-N 276.424 3.744 30 20 CHED CC(C)CCC(=NNCCC(F)(F)F)C1CC1 802713515 NFBVYQLMGFKTKG-UHFFFAOYSA-N 250.308 3.731 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@H](C#N)c1ccc(CC)cc1 809257096 AOJUBHHPLFBXQO-BFFYNSAMSA-N 270.376 3.676 30 20 CHED C=CCC(C)(C)CNC1CCC(c2nc(C)no2)CC1 293674633 JUAGYCXUMNLKPQ-UHFFFAOYSA-N 277.412 3.596 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2cccc(F)c2)cn1 806565501 OZTKVEKGEBTZHN-BQYQJAHWSA-N 284.334 3.809 30 20 CHED FCCC[C@H]1CCCC1=NNc1cnnc2ccccc12 800812300 BAJOSBYVBYCKKM-GFCCVEGCSA-N 286.354 3.948 30 20 CHED C=CCC(C)(C)c1noc(COc2ccccc2C)n1 645629373 HXRSVVIWHBBJRC-UHFFFAOYSA-N 272.348 3.811 30 20 CHED C#Cc1cncc(C(=O)N(CCCCC)CCCCC)c1 806497110 AAXBSUBCTJWTHV-UHFFFAOYSA-N 286.419 3.886 30 20 CHED CCOC(=O)c1ccc(/C=C2\C(=O)c3ccccc3[C@H]2C)o1 809155719 DOYWIQFOEVUNMD-MKVLZVNKSA-N 296.322 3.840 30 20 CHED CC1(C)CCCc2cc(C#N)c(N3CCC[C@H]3CF)nc21 567333735 VHPIHXSYLQAJQB-AWEZNQCLSA-N 287.382 3.505 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CCC[C@@H](F)C1)c1ccccc1 564728809 FUJBJTKFXUPILU-BMFZPTHFSA-N 275.367 3.743 30 20 CHED COc1cccc(NN=Cc2ncc(C(C)C)s2)c1 814776725 AXQNXLOREOJYJJ-UHFFFAOYSA-N 275.377 3.721 30 20 CHED CCOc1ccc2ccccc2c1COC(=O)CCCC#N 812874619 IBGALBZATNVOCP-UHFFFAOYSA-N 297.354 3.976 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1c1ccc(CC)o1 488959805 FQBPZALSORYPDG-HNNXBMFYSA-N 298.386 3.807 30 20 CHED Cc1ccc(C=NN[C@H](C)COc2ccccc2)cc1F 811669268 YRYBADGDBJMGQY-CQSZACIVSA-N 286.350 3.525 30 20 CHED N#Cc1ccc(OCC#Cc2ccc(Cl)cc2)c(F)c1 486678636 YKGSSPICGPBCOJ-UHFFFAOYSA-N 285.705 3.781 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(/C=C\C)cc1 487944621 AJHUDNZVQHMFIM-KKTNHOPESA-N 284.403 3.721 30 20 CHED Fc1ccc2nc(C=NOC/C=C/Cl)sc2c1 811672330 WMXMUPQZRAGIPI-UOZKWQDASA-N 270.716 3.538 30 20 CHED C=CCN(CCC#N)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 488509502 DLFDFTAILPOIJC-UHFFFAOYSA-N 299.252 3.520 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](Cc1ccccc1)C(C)C 481164117 OOIZPXZSGPOVPI-KRWDZBQOSA-N 273.420 3.926 30 20 CHED C#C[C@H](NC(=O)C(F)=C1CCCC1)c1ccc(Cl)cc1 812352930 YGUVAAGSFTXAEF-AWEZNQCLSA-N 291.753 3.928 30 20 CHED C[C@H]1CCC[C@@H](C)N1Cc1ccc(Cl)cc1C#N 480556303 OHUDNRBEYHWUQF-TXEJJXNPSA-N 262.784 3.975 30 20 CHED CCc1nnc(C/N=C\c2c(O)ccc3ccccc23)s1 811625103 CZKRPABPPZTTLA-MFOYZWKCSA-N 297.383 3.578 30 20 CHED Cc1ccc2oc(CN[C@@H]3CC[C@@H](C#N)C3)cc2c1 573383507 DDGYIRCINMDBPA-TZMCWYRMSA-N 254.333 3.523 30 20 CHED Cc1ccc(-c2ncc(C=NOCC3CC3)s2)cc1 814242006 RBMOWTBHSNNUEL-UHFFFAOYSA-N 272.373 3.879 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)nc1 488927137 AXZQWYXSZXUALS-NSHDSACASA-N 299.296 3.673 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCc1ccc(C)s1 488872963 BMIJJABHFRWXCW-AWEZNQCLSA-N 277.433 3.946 30 20 CHED C=CCOCCCC(=O)Nc1cccc(CC)c1CC 489522490 LRJVXESSEBJKAF-UHFFFAOYSA-N 275.392 3.733 30 20 CHED CC#CCCCc1nc(-c2ccnc(O[C@H](C)CC)c2)no1 577541369 BZHDNUOGUISWSA-CYBMUJFWSA-N 299.374 3.655 30 20 CHED C=CCCO[C@@H](C)c1nc(C2(c3ccncc3)CCC2)no1 656033921 FCHOZFUZPNFVMD-ZDUSSCGKSA-N 299.374 3.588 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCc1ccc(C)nc1 657882434 ZMKDGKKXBAKCEO-DLBZAZTESA-N 258.409 3.657 30 20 CHED CCCCCCCCCOC(=O)c1cccc(C#N)n1 811253970 VRZFQPQGFSODDS-UHFFFAOYSA-N 274.364 3.861 30 20 CHED C#CCCCC(=O)N(CCCC)[C@H]1CCC[C@@H](C)C1 818801931 HUXNUYGGFVKFBE-CVEARBPZSA-N 263.425 3.997 30 20 CHED Clc1cccc(C#CCN2CC[C@H](c3cccnc3)C2)c1 578646787 LWCNWYAUMOSZFI-KRWDZBQOSA-N 296.801 3.576 30 20 CHED Cc1nc(CN(C)[C@H](C)c2cccc(C#N)c2)cs1 489104622 ROLYBTWUSSBNTA-LLVKDONJSA-N 271.389 3.516 30 20 CHED C[C@@H]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 821480911 FNEFUPWYJXJIGF-SNVBAGLBSA-N 291.420 3.791 30 20 CHED N#Cc1cc(F)ccc1COC(=O)/C=C/c1ccccc1F 728617634 MILSSDAIBUUPOP-SOFGYWHQSA-N 299.276 3.593 30 20 CHED N#Cc1cc(F)ccc1COC(=O)/C=C\c1ccsc1 728614641 GWJVYVNHZNJXSI-RJRFIUFISA-N 287.315 3.515 30 20 CHED CCC[C@@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 499331234 YDMGIRQVXHXTIC-SNVBAGLBSA-N 264.756 3.976 30 20 CHED CC(C)C[C@@H](C)CN(C#N)c1ccc(F)c(C#N)c1 499974627 PSMFOYFZSMZIAJ-GFCCVEGCSA-N 259.328 3.667 30 20 CHED N#CC1(CSC[C@H]2CC2(Cl)Cl)CCC1 829083433 OHBVFYYRNJLYAI-MRVPVSSYSA-N 250.194 3.607 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(Cl)ccn1 667048976 PBJRVYQFQIQHNO-UHFFFAOYSA-N 267.760 3.601 30 20 CHED CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(O)c1 725847793 DRGRALFXJKAEGW-ZDUSSCGKSA-N 296.370 3.513 30 20 CHED CC(C)[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccccn1 828249883 YLJUUTLEDOWMNO-QGZVFWFLSA-N 299.418 3.759 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC)CCC 822870507 FQLFAJZDWZMFRI-AWEZNQCLSA-N 293.407 3.503 30 20 CHED C#C[C@@H](NCc1ccc(C)o1)c1ccc(Cl)cc1 491737984 ONGUQZBEIPABFP-OAHLLOKOSA-N 259.736 3.706 30 20 CHED C#Cc1cccc(N(C(=O)Cc2occc2C)C(C)C)c1 827628937 CCWHJRFXENHZBD-UHFFFAOYSA-N 281.355 3.553 30 20 CHED N#Cc1ccc2c(c1)[C@@H](Nc1cccc3c1OCCC3)CC2 589342921 UPJKXKLDONZUMF-KRWDZBQOSA-N 290.366 3.983 30 20 CHED CCCCCCCCCNC(=O)/C=C(\C)c1cnccn1 824626041 UEXWPZPWEOLZEO-FYWRMAATSA-N 289.423 3.747 30 20 CHED C=C(C)CNC(=S)N[C@H](C)CCC1CCCCC1 734309512 XHAOMLKTCVVAMO-CYBMUJFWSA-N 268.470 3.776 30 20 CHED Cc1cc(NN=C2CCC[C@H]2c2ccccc2)ncn1 732532353 HKILCXYQSJPJFW-AWEZNQCLSA-N 266.348 3.521 30 20 CHED C=C(Cl)CNC(=O)N(CCC)[C@H]1CCc2ccccc21 736399049 NMDXHHUIRYAZTP-HNNXBMFYSA-N 292.810 3.848 30 20 CHED CCCC(Cc1ccccc1)=NNc1nccnc1Cl 733080581 RFILLTQEHHLBPS-UHFFFAOYSA-N 288.782 3.941 30 20 CHED C=CCCC[C@H](N)c1nc([C@@H]2CCC[C@H](C)C2)no1 904576165 GLVFJLNJHGKISD-XQQFMLRXSA-N 263.385 3.719 30 20 CHED Cc1ccccc1C(=NNc1nccnc1Cl)C1CC1 733078968 OZNQNZAUBFNHSR-UHFFFAOYSA-N 286.766 3.665 30 20 CHED C#C[C@H](NCc1csc(C)n1)c1ccc(Cl)cc1 491761568 WGEAHHYZFOGCMY-AWEZNQCLSA-N 276.792 3.569 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)Cc2cc(F)ccc21 734305007 DOXAPIUGQAYXDA-IZZDOVSWSA-N 274.241 3.926 30 20 CHED N#CC1(CCCCOC(=O)[C@H]2CC2(Cl)Cl)CCC1 908775896 ORLCQLHDKMNQLP-SNVBAGLBSA-N 290.190 3.588 30 20 CHED C#C[C@@H](NC(=O)Nc1scnc1C1CC1)c1ccccc1 831589013 QUKMMOOBLIIITL-CYBMUJFWSA-N 297.383 3.517 30 20 CHED CC(C)(C)OC(=O)NCCS[C@@H](C#N)c1ccccc1 901620481 VXUJKZQLQRQJSK-ZDUSSCGKSA-N 292.404 3.509 30 20 CHED CC(C)(C#N)c1ccc(-c2nc(-c3ccoc3)no2)cc1 589147524 ZRVWWTFONVEVQJ-UHFFFAOYSA-N 279.299 3.798 30 20 CHED Cc1cc(C)c(NC(=O)CCCC#N)c(Cl)c1 589742074 OTCQECYJTRJVFS-UHFFFAOYSA-N 250.729 3.589 30 20 CHED CCOc1cccc([C@H](C)NC(=O)CCCCCC#N)c1 588154754 MLPVELDETGKBGY-AWEZNQCLSA-N 288.391 3.737 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H]2CCC[C@H](SC)C2)c1 735229041 PIDIMUAQTIZWTM-OXOWVQSXSA-N 293.432 3.884 30 20 CHED C=C1CCN(C(=O)[C@H]2CCc3c(Cl)cccc32)CC1 678836407 XZIPCQMNJNZWRV-AWEZNQCLSA-N 275.779 3.548 30 20 CHED C=CC1CCN(C(=O)c2ccc(C)c(-n3cccc3)c2)CC1 732002720 CKBFUWCQJHPVRW-UHFFFAOYSA-N 294.398 3.824 30 20 CHED CC(C)C[C@H](C)OC(=O)N[C@@H]1CCc2cc(C#N)ccc21 831307556 CNXROLFBTLBTDD-BLLLJJGKSA-N 286.375 3.706 30 20 CHED CC[C@@H](NCCC1(COC)CCC1)c1cccc(C#N)c1 903001874 YVBUVLMTBKUTOK-QGZVFWFLSA-N 286.419 3.806 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)cc2F)cc(C)c1O 734302777 OBVHVXRULZCDNS-UHFFFAOYSA-N 294.276 3.872 30 20 CHED CC(C)c1nc2ccc(NC(=O)C#CC3CC3)cc2s1 837367863 CXRTZXYQRKADJL-UHFFFAOYSA-N 284.384 3.772 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2nncc3ccccc23)o1 732762447 YOHLVMUERIOZQX-IAQYHMDHSA-N 292.342 3.792 30 20 CHED Oc1ccccc1/C=N/[C@@H]1C[C@H]1c1c(F)cccc1F 734752568 GXKWHDXWPQGBOO-DJBSCQQSSA-N 273.282 3.645 30 20 CHED C=CC[C@@H](NCc1cccc2[nH]ccc12)c1ccncc1 734509522 LIFJKOXZRNBESO-QGZVFWFLSA-N 277.371 3.970 30 20 CHED N#CCOc1ccc(COC(=O)CC2=CCCCC2)cc1 733490939 YFCJESQUUZZPJY-UHFFFAOYSA-N 285.343 3.523 30 20 CHED CC/C=C(/C)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 734082048 WPABXTREJPCTQS-KPVYPLCOSA-N 297.383 3.738 30 20 CHED CON=Cc1cccc(OCCCc2ccccc2)c1 731925929 CFDDJSXDYUWOEL-UHFFFAOYSA-N 269.344 3.679 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](CC)C1 670204910 AZNWYRXIJBNTAF-OAHLLOKOSA-N 290.455 3.679 30 20 CHED C=C(C)CCOC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 744299953 MAIBHHQLVKSPEO-ILXRZTDVSA-N 268.397 3.870 30 20 CHED C=CCCSCCNC(=O)c1ccc(Cl)cc1C 597968441 GXXAWVCQIQCOSV-UHFFFAOYSA-N 283.824 3.688 30 20 CHED C=CCC1(c2nc(CC3CCOCC3)no2)CCCCC1 834581934 RNFPKVSJLADUKI-UHFFFAOYSA-N 290.407 3.817 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)CN(CCC#N)CC(C)C 916645030 NCGRWBZWWNKMEN-UHFFFAOYSA-N 297.402 3.531 30 20 CHED Cc1cccc2c1CN([C@@H](C#N)c1ccccc1)CC2 595457457 AFIIVUWMEKPUIB-SFHVURJKSA-N 262.356 3.618 30 20 CHED N#CCCCCOC(=O)c1ccc(C(F)(F)F)cc1 912956588 MIOVKKRCDQTFNU-UHFFFAOYSA-N 271.238 3.556 30 20 CHED CS[C@@H]1CCCC[C@H]1Nc1snc(Cl)c1C#N 845626860 ZADNNGXMANOJAN-RKDXNWHRSA-N 287.841 3.754 30 20 CHED N#Cc1ccc(C(=O)COC(=O)C2CCCCCCC2)cc1 748289250 DCILENMDSCJRIL-UHFFFAOYSA-N 299.370 3.645 30 20 CHED C#CC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 843426929 NOEYUEVHDFGBIV-UHFFFAOYSA-N 284.186 3.544 30 20 CHED C=CC[C@@H](OC(=O)C[C@@H](C)c1cnn(C)c1)c1ccccc1 842339148 KUYNRBXYRBSCAF-RHSMWYFYSA-N 298.386 3.774 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2nc(Cl)c(C#N)s2)C1 841223908 DZUPVTIYPFAYIW-QMMMGPOBSA-N 297.811 3.823 30 20 CHED CC(C)N(CCC#N)C(=O)c1cc(F)c2ccccc2c1 590199832 IFECPWUTPOTPNC-UHFFFAOYSA-N 284.334 3.743 30 20 CHED COc1cc(C=NNc2ccc(C#N)cc2)ccc1SC 746490501 ZOPYXGVTBPZZJI-UHFFFAOYSA-N 297.383 3.735 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)c1ccc(C)cc1 917559584 PYVLGGRLSAJLQM-FHNWIRHTSA-N 269.344 3.889 30 20 CHED Cc1ccsc1CCCC(=O)OCc1cccc(C#N)c1 748431643 XZOUULDAXKQDOF-UHFFFAOYSA-N 299.395 3.994 30 20 CHED C=C(C)CN(CC)CC(=O)Nc1ccc2ccccc2c1 916144175 RMHBOIUZNPNXOH-UHFFFAOYSA-N 282.387 3.676 30 20 CHED N#Cc1cnnc(N2CCC[C@@H]2CCC2CCCCC2)c1 596166652 XFUWNGJWUZYKTC-MRXNPFEDSA-N 284.407 3.678 30 20 CHED CCCCCCN1CCC(Oc2cccc(C#N)c2)CC1 740877072 XPVNGQUUGQLZAV-UHFFFAOYSA-N 286.419 3.982 30 20 CHED C=C[C@](C)(CC)COC(=O)c1cn(C(C)C)nc1C 847690490 MEYIVPAXKCTPFX-OAHLLOKOSA-N 264.369 3.532 30 20 CHED CCCOc1ccc(-c2ccc(C)nc2)cc1C#N 844233100 FSBFYOLLGPLYLX-UHFFFAOYSA-N 252.317 3.718 30 20 CHED Cc1occc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 598884534 GWAHWTMTTZJVIB-UHFFFAOYSA-N 280.327 3.659 30 20 CHED CC[C@@H]1CCCC[C@@H]1C=NNc1ccc(CC(=O)O)cc1 848414646 PYSHWMPTNYLYCY-HUUCEWRRSA-N 288.391 3.928 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1ccc(F)cc1F 741767043 ZTAKDUHLNPCWDJ-UHFFFAOYSA-N 296.708 3.553 30 20 CHED CCCn1nc(C)c(-c2ccc(OCCC#N)cc2)c1C 596641805 XAHFIMLDLFXRNY-UHFFFAOYSA-N 283.375 3.869 30 20 CHED Cc1nsc(NCCC[C@H]2CC2(Cl)Cl)c1C#N 845747029 TZHWWFHSGKAFAU-QMMMGPOBSA-N 290.219 3.709 30 20 CHED C=CCCC(=NNc1cc(F)cc(OC)c1)C1CC1 747766641 VYODDBLTQZVSHI-UHFFFAOYSA-N 262.328 3.978 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CCC1CCCCCC1 593956022 WGDMVPNBBDEIJN-INIZCTEOSA-N 264.413 3.791 30 20 CHED Cc1ccc(C)c(NN=Cc2c[nH]c3ncccc23)c1 741757190 VCZSAEXKOOXZQI-UHFFFAOYSA-N 264.332 3.626 30 20 CHED Cc1cc(-c2ccccc2OC[C@@H]2CCOC2)ccc1C#N 592986046 KNNOBFQMVMSWHT-OAHLLOKOSA-N 293.366 3.949 30 20 CHED CCSc1ccccc1CCNCc1ccc(C#N)o1 922704766 DQQCHGWVZDYDFQ-UHFFFAOYSA-N 286.400 3.596 30 20 CHED CCOc1cccc(/C=N\Cc2ccccc2F)c1O 920942114 LORKSTWIRBADPB-WQRHYEAKSA-N 273.307 3.549 30 20 CHED C=CCOc1cccc(CNCc2cc(C#N)ccc2F)c1 742381647 ATUFWMUAZCKGHC-UHFFFAOYSA-N 296.345 3.552 30 20 CHED CCOc1ccccc1/C=C1\COc2c(F)cccc2C1=O 921265961 GWYZBEHJVXLYSY-JLHYYAGUSA-N 298.313 3.883 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccc(CC(=O)O)cc2)C1 848415297 YYJNUISOAAXPMP-JSGCOSHPSA-N 274.364 3.538 30 20 CHED Cc1cccc(C)c1NC(=S)N1CCC[C@H](CC#N)C1 849271220 CZDPKRYUWWPRAR-CQSZACIVSA-N 287.432 3.626 30 20 CHED CC#CCOC(=O)CSc1ccc(C(C)(C)C)cc1 744542360 KZRAZHKRJBVNLQ-UHFFFAOYSA-N 276.401 3.643 30 20 CHED CCOc1cccc(C(=O)O[C@H](C)CC(C)(C)C#N)c1 851212570 UMUXFZKLFOLYRR-GFCCVEGCSA-N 275.348 3.570 30 20 CHED CCCOc1ccc(C=NN[C@H](C)c2ccncc2)c(C)c1 853360170 XBEALPYUFZCKEW-OAHLLOKOSA-N 297.402 3.864 30 20 CHED C#CCCN(Cc1cccs1)Cc1cccs1 920415689 CAECMDXKCSLUQW-UHFFFAOYSA-N 261.415 3.835 30 20 CHED COc1ccc(CC[C@@H](C)/N=C/c2cccc(O)c2O)cc1 921260534 AOYJIRVXRVWUPD-KZKLBEMASA-N 299.370 3.547 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)[nH]1)c1ccc(F)cc1Cl 752495886 RZTJWIJPRMPMDO-MRVPVSSYSA-N 292.697 3.597 30 20 CHED C[C@@]1(COC(=O)CC2(C#N)CCCCC2)C[C@@]1(F)Cl 851098346 RPTZPWBCIVLHJZ-JSGCOSHPSA-N 287.762 3.708 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc(Cl)cs1 758337731 YCBYXEQWGGFFIV-UHFFFAOYSA-N 284.812 3.803 30 20 CHED C(=NOCc1ccc(OCc2ccccc2)nc1)C1CC1 853736197 PPOILXPPGRNIAZ-UHFFFAOYSA-N 282.343 3.573 30 20 CHED CCOc1ccccc1C=NNc1ccc(OC)cc1 750945053 CWBQVIWWRUIELS-UHFFFAOYSA-N 270.332 3.540 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)[nH]1)c1ccc(Cl)cc1 752487771 LFOQYRAGIVZAIR-AWEZNQCLSA-N 288.734 3.848 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cc(F)cc(F)c1)C2 755602284 VTCDYADDFKBYIC-UUILKARUSA-N 286.277 3.796 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@H]1CC1(C)C 751803013 VAMUYCSVCSKMFM-CQSZACIVSA-N 271.360 3.577 30 20 CHED C#CC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 756957013 JIAUTCKNANHOQW-OAHLLOKOSA-N 291.310 3.643 30 20 CHED CCCn1nccc1/C=C\C(=O)c1cc(C)ccc1C 853002364 LSNNRDGVOJBJSA-FPLPWBNLSA-N 268.360 3.806 30 20 CHED Cc1ccc(NC(=S)N2CCc3ccc(C#N)cc32)cc1 756853739 JWDLSCMNURRTGA-UHFFFAOYSA-N 293.395 3.626 30 20 CHED Cc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)s1 754663566 PDXDLWBVIPDGPA-CYBMUJFWSA-N 273.376 3.898 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc(Cl)c1 851213069 CSTFGJAPKVFUJO-JTQLQIEISA-N 265.740 3.825 30 20 CHED C#C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccccc1 851086091 GEHKRWLJEVCHSL-MRXNPFEDSA-N 281.355 3.768 30 20 CHED Cc1cc(NN=C[C@@H]2CCCC(C)(C)C2)nc(C)n1 752726900 LYVGXKDLAHCZNZ-CYBMUJFWSA-N 260.385 3.708 30 20 CHED FC(F)CON=Cc1ccc(Cl)cc1Cl 758907175 RDSFFEHLOZATET-UHFFFAOYSA-N 254.063 3.609 30 20 CHED CC(C(=O)OCc1cc(F)ccc1C#N)=C1CCCC1 759359761 ISPDRHOZJNUYIW-UHFFFAOYSA-N 273.307 3.631 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(SC(F)F)c1 757222339 NWMGSVQVEQRQKZ-QMMMGPOBSA-N 272.320 3.697 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](CC(F)(F)F)C(C)C 935556297 GVQPBFLEFYYUNM-ZDUSSCGKSA-N 298.308 3.574 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 757914493 DPFLIVMOHMQLCF-MRXNPFEDSA-N 277.795 3.957 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)Oc2cc(C)ccc21 758510612 SXDZYONYZXFFRL-AWEZNQCLSA-N 285.387 3.877 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccc(C(F)F)cc1 933100505 KMWMUFKWCQZWTA-UHFFFAOYSA-N 281.306 3.638 30 20 CHED COc1cc(NC(=O)N(C)[C@@H](C)CC#N)cc2ccccc12 933773663 PGDABGLKDOTIFV-LBPRGKRZSA-N 297.358 3.614 30 20 CHED N#Cc1cccc(NN=Cc2ccccc2Cl)c1 767335147 ADRHEWJPVYBEKW-UHFFFAOYSA-N 255.708 3.658 30 20 CHED CCCCNN=Cc1csc(Cl)c1Cl 761782786 QLZZYFAYUAJQLF-UHFFFAOYSA-N 251.182 3.779 30 20 CHED Cn1cc(NN=C2CCC[C@@H]2c2ccc(Cl)cc2)cn1 761868159 ZMIKLUUYEKPTDS-CQSZACIVSA-N 288.782 3.809 30 20 CHED CC#CCCCC(=O)O[C@@H]1CCOc2ccc(CC)cc21 767117294 LSSSTBRWMYKSON-QGZVFWFLSA-N 286.371 3.809 30 20 CHED Cc1ccc(C(=O)O[C@@H](C#N)C(C)C)cc1C(F)(F)F 860517756 ANDQURJTNBJEGC-LBPRGKRZSA-N 285.265 3.719 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCc2ccc(Cl)cc21 863634936 FSMHFRAHIJEHIM-OAHLLOKOSA-N 290.794 3.918 30 20 CHED C#CCOc1ccc(CN(C)Cc2ccc(C)s2)cc1 769317448 QGSSCIQIRFQMIP-UHFFFAOYSA-N 285.412 3.701 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C/c2cnnn2CC)cc1 863197465 RKLBEBWEPDKBOX-OCHBPSSRSA-N 283.375 3.708 30 20 CHED CCC(C)(CC)C(=O)OCc1cn2ccccc2c1C#N 767615183 WDWKUQFLTCJRED-UHFFFAOYSA-N 284.359 3.680 30 20 CHED C#Cc1ccc(-c2nc([C@H](C)c3ccccc3C)no2)cn1 762335371 KPXKRRIKJCFAJP-CYBMUJFWSA-N 289.338 3.573 30 20 CHED CCCCCCCNC(=O)C[C@H](C)c1ccncc1 862355495 PPYQQOPKRFEYEE-AWEZNQCLSA-N 262.397 3.662 30 20 CHED C#CCCc1noc(C[C@@H]2C[C@H](C)CC(C)(C)C2)n1 762008046 XOEIQBHBCPDLDJ-STQMWFEESA-N 260.381 3.640 30 20 CHED Cc1cc(C)c(NC(=O)/C=C/c2ccccc2C#N)cc1O 762699807 TWJDYXLNHFIQFR-BQYQJAHWSA-N 292.338 3.533 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)c1ccc(C(C)C)cc1 767164063 AFHALMRVKNPBRF-UHFFFAOYSA-N 297.320 3.838 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1c(F)cccc1F 767683000 YVKYRTZUTIRGGI-LLVKDONJSA-N 266.287 3.763 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCC1)c1ccc(Cl)cc1 764563628 LJFUJTVPRXJBAD-SNVBAGLBSA-N 263.724 3.638 30 20 CHED C#CCCOc1ccc(CN2CCc3ccsc3C2)cc1 769433480 KXVBPKVNLZAMQW-UHFFFAOYSA-N 297.423 3.709 30 20 CHED C=C(Cl)CN1CC=C(c2ccc(OCC)cc2)CC1 768778298 MNLFETMDBBGLFN-UHFFFAOYSA-N 277.795 3.927 30 20 CHED Cn1cc(CC/N=C/c2ccccc2O)c2ccc(F)cc21 769718893 WGMYZSWNIOBUME-RGVLZGJSSA-N 296.345 3.685 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCCC#CC 767044103 YBAUBGMVPJQGNM-UHFFFAOYSA-N 272.344 3.523 30 20 CHED CCC(CC)n1ccc(CNc2ccc(OC)c(C#N)c2)n1 871866830 PTWNJXWLDPFKSO-UHFFFAOYSA-N 298.390 3.737 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1csc([N+](=O)[O-])c1 773122632 BOSUUWITNGSCBY-NSHDSACASA-N 281.381 3.549 30 20 CHED CC(CC1CCOCC1)=NN[C@H]1CCCCC1(C)C 773122657 CFPKCDQPIRHFGT-HNNXBMFYSA-N 266.429 3.737 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1nc2ccccc2s1 777468871 YOQNSHJCLPQOFO-FNORWQNLSA-N 284.315 3.727 30 20 CHED N#Cc1ccnc(SCCSc2ccccc2F)c1 776283833 YTXZQGYZWSCGQF-UHFFFAOYSA-N 290.388 3.977 30 20 CHED N#CCC[C@@H](NC[C@H]1CC1(Cl)Cl)c1ccccc1 775554701 ZLZZXHUKGOVXEX-CHWSQXEVSA-N 283.202 3.815 30 20 CHED CCCCCCCC(=O)N1CCC[C@H](CCC(=O)OC)C1 874535095 DFHDKZOTWYGWFZ-OAHLLOKOSA-N 297.439 3.539 30 20 CHED CN(C)c1ccc(C2CCN(CCC(C)(C)C#N)CC2)cc1 775883414 WQMDNNNBLGGSNA-UHFFFAOYSA-N 299.462 3.872 30 20 CHED N#C[C@@H](OC(=O)c1c(O)cccc1Cl)C1CCCCC1 776379988 UOGSFAPOGVTAPP-CYBMUJFWSA-N 293.750 3.675 30 20 CHED O=C(/C=C\c1ccccc1F)OCC#Cc1ccc(F)cc1 771318680 LVASRADYKFMVPP-XFXZXTDPSA-N 298.288 3.573 30 20 CHED CCCc1cccc(C=NNc2cncc(Cl)n2)c1 774364981 XMQXEHARGLTAFO-UHFFFAOYSA-N 274.755 3.529 30 20 CHED CC[C@H]1CCCCC1=NNc1nncc2ccccc12 779757250 ARGZWSGCPNIMMV-LBPRGKRZSA-N 268.364 3.998 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1c(F)cccc1F 779812011 WCVYFOYVCUJLAR-GFCCVEGCSA-N 279.330 3.726 30 20 CHED Cc1ccncc1[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 770745077 DKCAFZZCAOBCDL-HUUCEWRRSA-N 295.386 3.532 30 20 CHED C[C@@H](CC(=O)Nc1cccc(CC#N)n1)C1CCCCC1 882475630 SKYQAXJQKDMCDX-ZDUSSCGKSA-N 285.391 3.693 30 20 CHED O=C1CCC(=NNc2ccc(Cl)cc2)c2ccccc2N1 783773485 YZJPGNAZKRCMMD-UHFFFAOYSA-N 299.761 3.889 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](C(F)(F)F)C2)CCCCC1 888022618 CVFWHGFGYYYTEP-GFCCVEGCSA-N 289.341 3.924 30 20 CHED C#CCCCCCC(=O)O[C@H](C)C(=O)c1ccc(F)cc1 780258083 HHYYXJXTSDJVKZ-CYBMUJFWSA-N 290.334 3.524 30 20 CHED O=C(/C=C/c1sccc1Cl)c1cncs1 782324619 FPBHIMPFOHDEIU-OWOJBTEDSA-N 255.751 3.754 30 20 CHED CC(=NNc1ccc(Cl)cc1)[C@]1(C)CCCO1 782098691 VNSIJTJHYPDNNS-ZDUSSCGKSA-N 252.745 3.697 30 20 CHED N#CC[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccco1 1123462398 KJXYNFTVUZZZJU-DZKIICNBSA-N 299.301 3.720 30 20 CHED C[C@@]1(C#N)CCCN([C@H]2CCc3cc(Cl)ccc32)C1 782192600 JBWPBTBPJZAKKH-HOTGVXAUSA-N 274.795 3.953 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(Cl)cc2F)cc1 783511369 OMZVVHPKIGDFDX-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C#CCN(Cc1c[nH]nc1-c1ccsc1)C1CCCCC1 783550254 GRPSPUMYEJAKTH-UHFFFAOYSA-N 299.443 3.906 30 20 CHED CC(C)(C#N)CCCSCC(=O)OC1CCCCC1 783498166 XMSTVDCCCLCBMH-UHFFFAOYSA-N 283.437 3.925 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2nc(-c3ccncc3)no2)C1 783840434 JFOAEVGTLKWPKW-OLZOCXBDSA-N 299.378 3.746 30 20 CHED C#CCCCCC(=O)NCC(C)(C)c1ccc(C)cc1C 794878302 JQSXJQXVJHSUTC-UHFFFAOYSA-N 285.431 3.891 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2ccccn2)cc1OC 794472359 WITVFTFJFPKVOX-LBPRGKRZSA-N 299.374 3.690 30 20 CHED CC(CCc1ccc(F)cc1F)=NOCc1cccnc1 794924244 WEYSTRZRZRZWJL-UHFFFAOYSA-N 290.313 3.885 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc(C)c(C)c1 798376434 YQIBUIFBTIKFOO-CYBMUJFWSA-N 262.422 3.945 30 20 CHED C=CCCCOC(=O)CCc1cnc2ccccc2c1 795801048 JXWDSFPZGMWZKI-UHFFFAOYSA-N 269.344 3.677 30 20 CHED CC#CCCN(Cc1ccccc1)C[C@@H](O)c1ccccc1 796365686 ZLAZTHBMYNQNNS-HXUWFJFHSA-N 293.410 3.636 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CCCOc2c(F)cccc21 797093671 SEGVFIDDSZDBEE-CYBMUJFWSA-N 291.322 3.522 30 20 CHED C=C(CC)CN1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 799360402 MIGPVAVVKVPHNO-HNNXBMFYSA-N 296.455 3.579 30 20 CHED C[C@@H](N[C@@H]1CCc2ccccc21)c1cccc(C#N)c1 37230000 UMFLNPBJRSVWOP-FZKQIMNGSA-N 262.356 3.896 30 20 CHED CC(=NNc1cncnc1)c1cc2ccccc2s1 794977189 WVKYLSNDJNZTAU-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(-c2ccco2)s1 791197931 XFLCRIMKEPBZLG-LLVKDONJSA-N 273.357 3.540 30 20 CHED O=C(O)c1cc(NN=C[C@@H]2CCCSC2)ccc1Cl 794854439 GGVSUBKQLWEXLX-VIFPVBQESA-N 298.795 3.579 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccc(O)c(F)c2)CC1 790178722 JQPXPWLIRDRFGR-UHFFFAOYSA-N 278.371 3.623 30 20 CHED FC(F)Oc1ccc(C=NNc2cccc(Cl)n2)cc1 793176050 XLKYFJQJXHFCJQ-UHFFFAOYSA-N 297.692 3.782 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1F)c1ccnc(F)c1 794719090 MFQZIXIULDRPRE-HSFFGMMNSA-N 289.256 3.951 30 20 CHED C#CCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 796281037 HUPHHAIXMNSZQO-RCCFBDPRSA-N 253.389 3.668 30 20 CHED C=CC[C@H](CC)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C 798937195 PALWDQPDINGTRO-RDBSUJKOSA-N 284.444 3.623 30 20 CHED C=CCCC[C@H](C)NC(=S)NCCCCC(F)(F)F 794989308 QXVMWWKBJTXXIG-NSHDSACASA-N 296.402 3.928 30 20 CHED C[C@H](Nc1ccc(C#N)c(Br)c1)c1ccc[nH]1 1307087791 WXEJMOKEGJNWHI-VIFPVBQESA-N 290.164 3.822 30 20 CHED C=C(C)COC(=O)c1ccc2cc(OC)ccc2c1 1317868498 DHKFLWDOLOEHGC-UHFFFAOYSA-N 256.301 3.581 30 20 CHED CCO[C@@H]1C[C@H](N(C)CC2(CC#N)CC2)C1(CC)CC 1167820276 SBIQOTYOHIYNSF-LSDHHAIUSA-N 278.440 3.596 30 20 CHED CCc1oc2ccccc2c1C(=O)N[C@H](C#N)CC(C)C 1319675622 GICQETPVGBQDTD-LBPRGKRZSA-N 284.359 3.663 30 20 CHED N#Cc1cnc(N[C@H]2C[C@@H]2C2CCCCC2)c(Cl)c1 563488697 IQRFAHHZWORRCP-OCCSQVGLSA-N 275.783 3.987 30 20 CHED N#Cc1cccc(C2(c3nnc(-c4ccccc4)o3)CC2)c1 1322309558 DQOVKHSYNRACPB-UHFFFAOYSA-N 287.322 3.688 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2c(F)cccc2[nH]1 1337480224 SWERQOYDDORBQS-GFCCVEGCSA-N 286.350 3.878 30 20 CHED CCCCCCCN1CC[C@H](C)[C@@H](n2ccnc2)C1 767435624 UNOXFPGBIKPXLB-HOTGVXAUSA-N 263.429 3.736 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc(Cl)c(C)c1 787308612 DVHYKCBMAPOXFK-CYBMUJFWSA-N 250.773 3.584 30 20 CHED Cc1ccc(-c2nnc(C3CCCC3)o2)cc1C#N 1330092870 IQGHFIBAEYZUSY-UHFFFAOYSA-N 253.305 3.574 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1ccc(C#N)cc1 1265620519 MPIFOOHRLGUDTI-CYBMUJFWSA-N 290.322 3.656 30 20 CHED C=CCc1cc(CN(CC)C(C)(C)C)cc(OC)c1O 1347791438 FGTFAGOBZXZPAN-UHFFFAOYSA-N 277.408 3.750 30 20 CHED C#CCOc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 1345802284 WCALVTIEDLRBOV-UHFFFAOYSA-N 290.322 3.724 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(F)cc1F 1347510162 FRBUABTZOSWCDQ-GFCCVEGCSA-N 265.303 3.536 30 20 CHED Cc1cccc(Oc2ccccc2C(=O)N(C)[C@@H](C)C#N)c1 1527366503 ZWNKGRZQHXZRSB-AWEZNQCLSA-N 294.354 3.771 30 20 CHED N#Cc1cc(Cl)ccc1SCc1ccns1 1458969439 OBEFDHUOWXYKHJ-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)c1ccoc1C1CC1 1525833061 KDNNUFWUWOSMEL-ZDUSSCGKSA-N 295.338 3.539 30 20 CHED COc1ccc(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1C#N 1535536894 QARNCEPYCPWIRX-JHJVBQTASA-N 286.375 3.578 30 20 CHED CCC[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1ccccc1 1473338236 SXWLFXQEDHLSBS-MOPGFXCFSA-N 294.398 3.723 30 20 CHED C=C(CC)C(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 1548687280 IROSRJBCTZAGEF-INIZCTEOSA-N 286.419 3.910 30 20 CHED Cc1cccc(CN(C)CCOc2cccc(C#N)c2)c1C 1559861195 BQXNLHJXHRVRTI-UHFFFAOYSA-N 294.398 3.686 30 20 CHED Cc1ccc(Sc2snc(C)c2C#N)s1 1559212090 ASUKFRNIDUOLER-UHFFFAOYSA-N 252.389 3.844 30 20 CHED N#Cc1ccc(SCC(=O)[C@@H](C#N)c2ccccc2)cc1 1640865766 IZTFSZHMBGVSFM-INIZCTEOSA-N 292.363 3.527 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(C(=O)O)ccc1Cl 1588718826 GVYNLFXJKDMUKR-CYBMUJFWSA-N 279.767 3.579 30 20 CHED N#Cc1ccc(NC(=O)[C@@H](F)CC2CCCCC2)cc1F 1583075705 DZCNMLBURWZCDX-HNNXBMFYSA-N 292.329 3.944 30 20 CHED N#Cc1ccc(CNc2ccc(-c3ccon3)cc2)c(F)c1 1658657964 JLBALVVQGXDPMX-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=CC[C@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1588771014 LHFQUTNZCDEINJ-JTQLQIEISA-N 276.311 3.668 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)Nc1ccc(F)cc1C#N 1667629158 ZUZGLRVUEXGTGY-UHFFFAOYSA-N 295.317 3.600 30 20 CHED CC[C@@H](C)CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C 1670821302 HSEBMRFBMWLHAR-GFCCVEGCSA-N 290.411 3.672 30 20 CHED CC[C@]1(C)CCCN(c2nc(C)c(C#N)cc2Cl)C1 1639530912 QYRJPQFZLIHNDT-OAHLLOKOSA-N 277.799 3.932 30 20 CHED N#Cc1cccc(Br)c1N1CCC2(CCC2)C1 1642648545 FAKCXIHHLMTMCW-UHFFFAOYSA-N 291.192 3.701 30 20 CHED C[C@@H]1CC[C@@H](C)C(=NNc2ccc(C(=O)O)c(F)c2)C1 1776075616 UACBUTNWBWBTRS-NXEZZACHSA-N 278.327 3.748 30 20 CHED C=C(C)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 17274935 MUAYJHYUASLCFS-UHFFFAOYSA-N 298.411 3.795 30 20 CHED CSc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 18057478 IURAZFPMLFCCQY-UHFFFAOYSA-N 286.312 3.981 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 18063168 OZRXHROPWWXXSQ-DHZHZOJOSA-N 299.333 3.640 30 20 CHED C=C(C)CNC(=O)c1oc2c(Cl)cccc2c1C 161153310 FXWOOMHBMMQQGD-UHFFFAOYSA-N 263.724 3.701 30 20 CHED C#CCCCCNC(=O)C(CC)(CC)c1ccccc1 156188831 VWFYRESXYHDWHM-UHFFFAOYSA-N 271.404 3.664 30 20 CHED Cc1ccc(NCc2ccc(C#N)o2)cc1Br 157498564 QMTLNRMJCAJCQK-UHFFFAOYSA-N 291.148 3.834 30 20 CHED COc1cc(CN(CC#N)C2CCCC2)ccc1SC 156681205 XWTNTIJLHFUDCS-UHFFFAOYSA-N 290.432 3.685 30 20 CHED C#CCCCCNC(=O)Nc1ccc(OC(C)C)c(C)c1 154821688 RVRVRLMZCZAKLC-UHFFFAOYSA-N 288.391 3.707 30 20 CHED C#Cc1ccc(CNCc2cc3ccccc3o2)cc1 809606675 ZKNOOPDAUXZKOB-UHFFFAOYSA-N 261.324 3.704 30 20 CHED Cc1ccsc1CN[C@H](C)c1ccc(OCC#N)cc1 112840372 YOYIPEGWBKUYKZ-CYBMUJFWSA-N 286.400 3.810 30 20 CHED Cc1cc(F)cc(C(=O)Nc2ccc(C#N)cc2Cl)c1 226345274 VZTNNINONYYYSR-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H](Nc1nccc2occc12)c1ccc(C#N)cc1 227532245 LRXDOKALDRPINQ-LLVKDONJSA-N 263.300 3.873 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)[C@@H]1C[C@H]2CC[C@H]1C2 251551016 LPDAQDKCFKMDMA-DSPQJCBJSA-N 272.367 3.612 30 20 CHED N#Cc1cc(NC[C@@H]2CCCS2)ccc1C(F)(F)F 124022112 HAQGAFXYHYHUOZ-NSHDSACASA-N 286.322 3.885 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC([C@@H]2CCCO2)CC1 276012283 MGNZOOLOPIPLBQ-INIZCTEOSA-N 290.794 3.607 30 20 CHED N#Cc1ccc(NC2CC(F)(F)C2)cc1C(F)(F)F 276956358 CIICXNGBZQFCAR-UHFFFAOYSA-N 276.208 3.787 30 20 CHED Cc1ccc(Br)c(N[C@@H]2CC[C@H](C#N)C2)c1 309884081 XFWABXIBUIJJJD-WDEREUQCSA-N 279.181 3.862 30 20 CHED CC[C@@H](C)N(CC)Cc1ccc(Br)cc1C#N 310296771 PBTNWXZMWKRUJC-LLVKDONJSA-N 295.224 3.941 30 20 CHED C[C@H]1Cc2ccccc2N1c1ncc(C#N)cc1Cl 513651349 YWVWHECXCLBSEY-JTQLQIEISA-N 269.735 3.689 30 20 CHED CC[C@H](C#N)S[C@@H]1CCCN(Cc2ccccc2)C1 565891898 HSIZRVTYCDTSFW-HZPDHXFCSA-N 274.433 3.686 30 20 CHED COc1ccc(F)c(NCc2ccc(CC#N)cc2)c1 342562531 FAULVZABISYBCY-UHFFFAOYSA-N 270.307 3.512 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1ccc(Cl)cn1 343226376 QSZUPMIDGXJFSS-SECBINFHSA-N 275.714 3.919 30 20 CHED CCCCCCCCN[C@@H](C)c1nnc(C)s1 391872519 KNOMVBPISORNCD-NSHDSACASA-N 255.431 3.858 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 398145507 QBOUZVBAYUMXJA-JTQLQIEISA-N 296.754 3.723 30 20 CHED O=C1/C(=C/c2ccc3ncccc3c2)COc2ccccc21 3169180 PDXPTQQVLUPHII-RVDMUPIBSA-N 287.318 3.894 30 20 CHED C#Cc1cccc(NCc2ccc(OCC)cc2)c1 19876805 VOAZFIOZZAEUHM-UHFFFAOYSA-N 251.329 3.679 30 20 CHED Cc1nnc(Oc2cccc(C(F)(F)F)c2)c(C#N)c1C 24052689 VXOMQQLAHSYJPB-UHFFFAOYSA-N 293.248 3.776 30 20 CHED C=C(Cl)COC(=O)c1cc2c(C)cc(C)cc2[nH]1 28463920 CWSBKWKBSQCEJH-UHFFFAOYSA-N 263.724 3.694 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C)cc1 45935090 KMFDVZMCPVGMOQ-UHFFFAOYSA-N 265.356 3.823 30 20 CHED C#CCOc1ccc(CNC2CCCCCC2)cc1 45945858 BNOIQIXCLQTXTG-UHFFFAOYSA-N 257.377 3.511 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)s2)cc1C 48501960 XOTTUHZTYLCQDP-AATRIKPKSA-N 286.352 3.959 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cc(Cl)c[nH]1 49318537 GGZPAOGNZJLQRJ-UHFFFAOYSA-N 292.741 3.636 30 20 CHED C=C(C)CSc1nc(Cc2ccccc2)c(C)[nH]1 57650964 TWPHBKXWYDCKSQ-UHFFFAOYSA-N 258.390 3.977 30 20 CHED N#CCSCC(=O)Nc1ccc2c(c1)oc1ccccc12 58138561 KEEYVOZEBLRALU-UHFFFAOYSA-N 296.351 3.781 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccc(C#N)c(Cl)c1 61941987 KNUPHSIXEKSBGA-UHFFFAOYSA-N 281.746 3.720 30 20 CHED C=CCCO[C@@H](C)C(=O)NCc1ccc(-c2ccccc2)o1 66318948 RGOPCHNFXMZCIB-AWEZNQCLSA-N 299.370 3.544 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccc(F)c2F)cc1 67090164 SCRFSAGKNSLQBR-UHFFFAOYSA-N 289.281 3.782 30 20 CHED C=CCCC(=O)Nc1ccccc1NC(=O)OC(C)(C)C 68773213 IIOUZJWQMZJDGC-UHFFFAOYSA-N 290.363 3.938 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N(C)CCCSCC#N 74980893 SNFPIDOAVJWLRV-LLVKDONJSA-N 284.375 3.604 30 20 CHED CC[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1ccccc1 76695623 WSQZPSIUECMETH-CQSZACIVSA-N 294.383 3.651 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(F)cc2)s1 79262942 GQLXRZBZOWGXNC-UHFFFAOYSA-N 274.320 3.574 30 20 CHED CN(C(=O)c1cccc(SCC#N)c1)C1CCCCC1 79380063 OLRNRFYITLJKKJ-UHFFFAOYSA-N 288.416 3.707 30 20 CHED C[C@H](Nc1ccnc2ccncc12)c1ccc(C#N)cc1 85656594 UHRNLJAXLPKTNT-LBPRGKRZSA-N 274.327 3.675 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(F)c(C#N)c1 92224360 LCWMRVRGQRRKNO-KRWDZBQOSA-N 283.350 3.675 30 20 CHED Cc1cc(CN(C)[C@H](C)CC#N)cc(C)c1OC(F)F 93090607 YCEKHHQOSMQJJR-GFCCVEGCSA-N 282.334 3.639 30 20 CHED COc1ccc(Cl)cc1NCc1cc(C#N)cs1 93685051 XIBGCAVBEFTHFI-UHFFFAOYSA-N 278.764 3.894 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(Cl)c2F)CC1 111710513 KEZUVIWBLWOXLO-UHFFFAOYSA-N 282.746 3.909 30 20 CHED Cc1ccc(C)c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 116804410 FLEDJHPFDDFEOS-CXAGYDPISA-N 270.376 3.506 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 116860618 NHGZWTSZGZHJJJ-DGCLKSJQSA-N 285.309 3.803 30 20 CHED C=CC[C@H](C)NCc1ccc(OC(C)C)c(OC)c1 116927097 BYNJHRBKERFOET-ZDUSSCGKSA-N 263.381 3.537 30 20 CHED C=C(C)CN1CCC(NC(=O)C[C@@H](CC)CCCC)CC1 117254639 TURMQFXXPVBSFI-INIZCTEOSA-N 294.483 3.750 30 20 CHED C=CCCCSCCC(=O)N1CCc2ccccc21 117944414 IRRBSQDBZJSAFH-UHFFFAOYSA-N 275.417 3.665 30 20 CHED C[C@@H](SCc1cccc(C(N)=O)c1)c1ccc(C#N)cc1 118444021 NESMDTBTCXUCAQ-GFCCVEGCSA-N 296.395 3.652 30 20 CHED C#CCCCCC(=O)Nc1ccc(Br)c(F)c1 119911267 OMHTTWFRVQECLK-UHFFFAOYSA-N 298.155 3.720 30 20 CHED C=CCC[C@@H](NCc1ccc(-n2cccn2)cc1)C1CC1 120191858 FOUPTIAEMSNNLW-GOSISDBHSA-N 281.403 3.707 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 120227747 ZVZDIJAXEWSYHZ-OLZOCXBDSA-N 292.810 3.527 30 20 CHED CCC[C@H](C(=O)N[C@H](C#N)C1CCCCC1)C(C)C 120697116 MMUWDKXACQIFOM-LSDHHAIUSA-N 264.413 3.647 30 20 CHED C=C[C@H](CC(=O)OCc1nc(C)c(C)o1)c1ccccc1 122429066 FJLKEDUCYCAUTE-CQSZACIVSA-N 285.343 3.695 30 20 CHED Cc1cc(C(=O)/C=C/c2c(Cl)cnn2C)c(C)s1 122631336 VGSIJVHBGHIUEG-SNAWJCMRSA-N 280.780 3.648 30 20 CHED C=CCOCCCC(=O)N[C@@H]1CC(C)(C)c2ccccc21 127413432 CGCUBTVSGREHCC-MRXNPFEDSA-N 287.403 3.508 30 20 CHED CCN(CCC#N)C[C@@H](C)c1cccc(Br)c1 127670786 CPPVVBSKPBMHPH-GFCCVEGCSA-N 295.224 3.788 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 128753019 OXPBFJXAASFOEI-UHFFFAOYSA-N 277.412 3.526 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3ccc(F)cc3F)ccc21 130757736 LPDWZLKZNCCWKR-XVNBXDOJSA-N 299.320 3.853 30 20 CHED C=C(Br)CN[C@H](C)c1ccc2c(c1)CCC2 133311661 ULQOEWVJUCNSOC-LLVKDONJSA-N 280.209 3.735 30 20 CHED N#CCN(Cc1nc2ccccc2s1)C1CCCC1 134713301 CEQPWVGRMYFIGQ-UHFFFAOYSA-N 271.389 3.564 30 20 CHED Cc1ncc(CNc2ccc(OC(C)C)c(C#N)c2)s1 151992949 YVOJRROCVXTOBS-UHFFFAOYSA-N 287.388 3.723 30 20 CHED CC[C@H]1CCCCN1C(=O)c1ccc(C#N)c(Cl)c1 153468526 OHNJKUBLRJHTLG-ZDUSSCGKSA-N 276.767 3.616 30 20 CHED COc1cc([C@H](C)NCc2ccc(C#N)s2)ccc1F 154467821 HAKIDXSCNUSMLK-JTQLQIEISA-N 290.363 3.618 30 20 CHED C=CCCCCCN(C)C(=O)CCc1ccccc1 156801469 WDCHPTXTKORGRV-UHFFFAOYSA-N 259.393 3.824 30 20 CHED CC(C)[C@@H](C)N(Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 156979389 CMGOWEYYZGXMIQ-LSDHHAIUSA-N 286.419 3.986 30 20 CHED O=C(/C=C/c1cccc(-n2cccn2)c1)c1cccc(F)c1 157180173 FAGCZESLWHCEAV-CMDGGOBGSA-N 292.313 3.908 30 20 CHED C=C(C)CSCc1nnc(Cc2ccccc2C)o1 158102906 ZDZZESHYNNAIMI-UHFFFAOYSA-N 274.389 3.778 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@@H]1CCCCS1 158201361 DQSLFDTZPGSZIL-LBPRGKRZSA-N 266.797 3.909 30 20 CHED COCc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 158454966 LNXZUJGAVMRVOR-UHFFFAOYSA-N 292.382 3.869 30 20 CHED COCc1ccc([C@@H]2CCCN2c2ccc(C#N)cc2)o1 161576763 YMLAXBIJIIVBEL-INIZCTEOSA-N 282.343 3.639 30 20 CHED CC#CCS[C@H](C)c1nc(-c2ccc(OC)cc2)no1 166772322 HYTBMFPVQARHIV-LLVKDONJSA-N 288.372 3.563 30 20 CHED C=CC[C@@H](C)NC(=O)NCCc1csc2ccccc12 172077941 BVJHWEXALNIMJG-GFCCVEGCSA-N 288.416 3.708 30 20 CHED CC1CCC(N(CCCSCC#N)C2CC2)CC1 173869010 CRIZHTFAUKYCKG-UHFFFAOYSA-N 266.454 3.676 30 20 CHED CC[C@@H](C)[C@H](C)N(CCCSCC#N)C1CC1 173883129 GCYBSOFFZZPMHB-OLZOCXBDSA-N 254.443 3.532 30 20 CHED CCCCCCCC(=O)Nc1ccc([S@](C)=O)cc1 174045853 JXWJXUGHNMRJSZ-IBGZPJMESA-N 281.421 3.723 30 20 CHED C=CCOCCCC(=O)N(CC1CCC1)c1ccccc1 175399721 PZOMHDCOYNSRDT-UHFFFAOYSA-N 287.403 3.803 30 20 CHED C[C@H](OC(=O)CCC(F)(F)F)c1ccc(C#N)cc1 175804108 MZZIFVJIZPRUHZ-VIFPVBQESA-N 271.238 3.505 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H](C)C1(C)CC1 175971212 MZXGLASMZXWQKZ-GFCCVEGCSA-N 271.364 3.519 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C2CC2)sc2ccc(F)cc12 176064761 NETUZDDYZDCLRQ-GFCCVEGCSA-N 289.331 3.808 30 20 CHED Cc1csc(CSCc2ccc(C#N)cc2)n1 176410823 LFQVHXYKQQUFIU-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C=CCN1CCC(N[C@@H](C)c2cccc(Cl)c2)CC1 177909197 YZZJTZZASUCULI-ZDUSSCGKSA-N 278.827 3.641 30 20 CHED Cc1ccc(NC(=O)CNc2cccc(C#N)c2C)c(C)c1 179057219 VNXSSNQZBKAFQB-UHFFFAOYSA-N 293.370 3.534 30 20 CHED COCc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1 181117634 OGQIVGOYBCHYNE-AWEZNQCLSA-N 296.370 3.736 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cc2Br)[C@@H]1C 181134628 HLIIYGXXAQCCEV-WDEREUQCSA-N 293.208 3.551 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(-c3cccs3)c2)c[nH]1 181330927 YZBDXHPNTNGBPT-UHFFFAOYSA-N 293.351 3.867 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(Cl)cccc1OC 182610010 DNBVJRYNJLIBJI-NSHDSACASA-N 281.783 3.823 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccc(OC(F)F)cc1 182634033 ZTCSNJZZPQAHHL-LBPRGKRZSA-N 297.345 3.692 30 20 CHED C=C(C)CN(CC)C(=O)NCc1c(C)oc2ccccc12 185602774 DCQOJRMGFJTXRR-UHFFFAOYSA-N 286.375 3.849 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(Cl)c1C 187755170 ZOLNYIHWJQLLPN-OAHLLOKOSA-N 281.783 3.816 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OCCOC)cc1C 187839928 UMFIXTJWQZIPQF-QGZVFWFLSA-N 291.391 3.561 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)c2cccc(F)c2)CC1 187977928 INHHFZTWGWPZCF-GOSISDBHSA-N 290.426 3.907 30 20 CHED C=CCC[C@H](CC)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 188606924 COLBXQJXUWKJRM-MELADBBJSA-N 293.373 3.804 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C(F)(F)F)nc1 189068333 DAEYCTFIUKFVAD-LBPRGKRZSA-N 272.270 3.641 30 20 CHED Cc1ccoc1C(=O)/C=C/c1nccn1-c1ccccc1 191327270 ZRTKZLIMTLFMNS-BQYQJAHWSA-N 278.311 3.670 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1c1cc(C)ccc1C 192171067 BXDPWVGZZXWRGH-KRWDZBQOSA-N 269.388 3.770 30 20 CHED COc1cc(C)c(N[C@H]2CCC[C@H](C#N)C2)cc1F 193304445 XXZMYQGWVYTWAQ-RYUDHWBXSA-N 262.328 3.637 30 20 CHED N#CC1(C(=O)Oc2cccc3ncccc23)CCCCC1 194337701 FCEUDOWWJLWMLS-UHFFFAOYSA-N 280.327 3.614 30 20 CHED C=CCOc1cccc(NC(=O)N2CCc3ccccc32)c1 195635906 JSNOXIRMPAFVDB-UHFFFAOYSA-N 294.354 3.846 30 20 CHED CC(C)(C)c1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 201789254 GSJNQJSXQWBTPW-UHFFFAOYSA-N 292.382 3.786 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc(OC(F)F)cc1 210052927 KKILDKFSQSHVGI-BAQGIRSFSA-N 275.254 3.579 30 20 CHED C=CCN1CCC[C@H]1c1cccc(Br)c1 217166228 IDYJQMZVRSXRPT-ZDUSSCGKSA-N 266.182 3.772 30 20 CHED C#CCSCCN[C@@H](C)c1oc2ccccc2c1C 222112037 IHVBKUSNOJGPDI-ZDUSSCGKSA-N 273.401 3.758 30 20 CHED CC(C)[C@@H]1CCCN1c1ccc(C#N)c(Br)c1 228189992 JENVPWNPPLQRBO-AWEZNQCLSA-N 293.208 3.946 30 20 CHED C#CCCCNc1cc(F)c(Br)cc1F 231634320 PEPNZAUTNYXJGL-UHFFFAOYSA-N 274.108 3.553 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H]2CCC[C@H]2C1)c1ccccc1 248030716 KHIHMGVOJRYJDZ-PVAVHDDUSA-N 269.388 3.605 30 20 CHED CC[C@H]1CC[C@H](C(=O)NCc2cc(C#N)ccc2F)CC1 249398762 UNOAZVLWHLWCOC-MQMHXKEQSA-N 288.366 3.530 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(OC)c(F)c2)c1 255436018 YGCZHKCNQVMWAU-UHFFFAOYSA-N 289.306 3.689 30 20 CHED N#C[C@H](C(=O)/C=C\Sc1ccccc1)c1ccccn1 255848337 XAMJAAMOHDTVIC-FPAJZGIOSA-N 280.352 3.564 30 20 CHED Cc1ccc(NC(=O)N(C)C[C@@H](C)C#N)cc1C(F)(F)F 264073766 BSZTYSAVIPXGKZ-VIFPVBQESA-N 299.296 3.637 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 264075348 OVUSSDLHAVDCGA-GFCCVEGCSA-N 297.402 3.840 30 20 CHED C[C@@H](N(C)C(=O)Nc1ccc(C#N)cc1Cl)C1(C)CC1 269172631 XSEUDPLSTUHBIL-SNVBAGLBSA-N 291.782 3.864 30 20 CHED C[C@@H](C#N)CN(C)[C@H](C)CCSc1ccccc1 269266701 HCQCNBDZBMWMIB-UONOGXRCSA-N 262.422 3.649 30 20 CHED C=CCN(C(=O)c1oc2ccc(F)cc2c1C)C1CC1 271474066 HLLLOJZTNLQCLP-UHFFFAOYSA-N 273.307 3.671 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(SC)c1C 274373087 ZLKCPCTZDYSYBT-UHFFFAOYSA-N 261.390 3.705 30 20 CHED CC(C)(C#N)CCOc1ccc([C@H]2CCOC2)cc1 282031635 WQQURJVWHQYZTI-AWEZNQCLSA-N 259.349 3.509 30 20 CHED CC[C@@H](C)CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 285563374 TZTOYBWVDKDICZ-CQSZACIVSA-N 284.403 3.876 30 20 CHED C=CCC[C@H](NC[C@@H]1CCO[C@@H](C)C1)c1ccco1 285901842 CUCVHFHCOXMXNT-ZNMIVQPWSA-N 263.381 3.692 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(-c2ccccc2)cnc1C 285910184 YZUYDSROGLQBAQ-GOSISDBHSA-N 293.370 3.935 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cncc(C)c2)cc1 287468227 MHFXWPCVROKSOO-HNNXBMFYSA-N 282.387 3.806 30 20 CHED C[C@@H]1CN(CCCC(C)(C)C#N)Cc2ccccc2O1 292337273 GMEOUFDLVMBILT-CQSZACIVSA-N 272.392 3.599 30 20 CHED CCCCCCCC(=O)NCc1oc(CC)nc1C 293575792 DYOGSEUNVYJOGW-UHFFFAOYSA-N 266.385 3.522 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(F)cccc1Cl 293759603 LMHJIICGHMAQSM-UHFFFAOYSA-N 269.747 3.811 30 20 CHED CC(F)(F)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 293841693 XUHXRUJMCWRMLB-HIFRSBDPSA-N 278.346 3.970 30 20 CHED CCCOc1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 294463564 LSKYXUSPKDTHFY-SFHVURJKSA-N 298.386 3.888 30 20 CHED C[C@@H](CCC#N)N(C)Cc1cccc(Br)c1 298054010 ICRAPBGYYZULDC-NSHDSACASA-N 281.197 3.573 30 20 CHED C=CCN(CCc1ccco1)[C@@H](C)c1nc(C(C)C)no1 299172327 YGGWSIWRDWEJBZ-ZDUSSCGKSA-N 289.379 3.578 30 20 CHED Cc1nnc(Nc2cccc(OCC(C)C)c2)c(C#N)c1C 301070737 HENWMXLOLQYMCR-UHFFFAOYSA-N 296.374 3.744 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(SC2CCCCC2)c1 302191711 BQMMLJGASRQDPU-UHFFFAOYSA-N 262.334 3.891 30 20 CHED COc1cccc(Sc2cc(C#N)ccc2[N+](=O)[O-])c1 302209095 LPSLHQFSHQHXBX-UHFFFAOYSA-N 286.312 3.626 30 20 CHED N#Cc1ccc(OC[C@H]2CCCC(F)(F)C2)cc1 302488224 RRMBOZATTLECKK-LBPRGKRZSA-N 251.276 3.763 30 20 CHED CC(C)C[C@H](C)n1nccc1N/C(O)=N/[C@H]1C=CCCC1 330035618 BVYBAQNQBZODKA-KBPBESRZSA-N 290.411 3.925 30 20 CHED CC(C)(C)C[C@@H](O)C/N=C(/O)c1csc(C(C)(C)C)n1 330830796 IUEFETBWJFZAPD-SNVBAGLBSA-N 298.452 3.542 30 20 CHED Cc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)c(Cl)c1Cl 332015789 USPBYAQOSHEMOM-AWEZNQCLSA-N 297.185 3.724 30 20 CHED Cc1ccc2ncc(C#N)c(O[C@@H]3C[C@@H](C)CCC3=O)c2c1 333711288 PVUSZQBSTIHGLE-YVEFUNNKSA-N 294.354 3.551 30 20 CHED N#CC1(COc2ccc(Cl)c3cccnc23)CC1 334372080 QVMKUJJRJREQIL-UHFFFAOYSA-N 258.708 3.571 30 20 CHED C[C@@H](C(=O)Nc1ccc(F)cc1F)c1cccc(C#N)c1 334553988 RYNBFTPFVDZODV-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)c1ccc(F)c(C#N)c1 336579940 QWODWWSKQWGSPZ-SNVBAGLBSA-N 288.347 3.592 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc(Br)s1 336726957 BVXZXIXNSGFGMF-VIFPVBQESA-N 299.237 3.855 30 20 CHED C=CCn1c(C)nnc1SC[C@H]1CCCC(F)(F)C1 337746064 GHVXMLQJDZKOGB-NSHDSACASA-N 287.379 3.690 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)c1ccncc1F)c1ccccc1 338194982 MPUPYMSCBFLYFO-CJNGLKHVSA-N 298.361 3.758 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(OCC)c(F)c1)OCC 339205693 UYXLITHBTGAVOL-HNNXBMFYSA-N 295.354 3.534 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)c2ccccc2F)ccn1C(C)C 339860819 NUMMLUVGTIZBHI-INIZCTEOSA-N 299.349 3.511 30 20 CHED N#Cc1cccc(Cl)c1NCc1nccc(C(F)F)n1 340996927 PYVIGXPBEHXYAB-UHFFFAOYSA-N 294.692 3.551 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCCc2cccc(C#N)c2)o1 341473471 VRGVPXWKFKQULK-SUMWQHHRSA-N 280.371 3.607 30 20 CHED CC#CCN[C@H](CCOC)c1ccc(Cl)c(Cl)c1 342024733 SGLVKRJCNFSCRD-CQSZACIVSA-N 286.202 3.684 30 20 CHED CCCN(CC1(C#N)CC1)[C@H]1C[C@H](OCC)C12CCCC2 343321973 PGTJSFCTYMTVRZ-HOTGVXAUSA-N 290.451 3.740 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 344341317 YGDIYFQFLWOKIX-NWDGAFQWSA-N 296.292 3.670 30 20 CHED CC(C)N(Cc1ccccc1F)C(=O)c1cccc(C#N)c1 346497682 ZLBSTJGIBLKOHM-UHFFFAOYSA-N 296.345 3.748 30 20 CHED C=CCn1cccc1-c1nc([C@@H]2CCc3ccccc32)no1 346524815 GXOHVTFYBWQOJT-OAHLLOKOSA-N 291.354 3.802 30 20 CHED Cc1ccc(C#N)c(NCCc2ccc(F)cc2Cl)n1 346822622 DRODCNHMVMBWBJ-UHFFFAOYSA-N 289.741 3.709 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CCC(C)C)cc1C 349361051 YWZZZBLHHLMFOD-UHFFFAOYSA-N 272.392 3.705 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H]2CCc3c(Cl)cccc32)C1 349426725 XCAPWVCJQGQSAB-HFAKWTLXSA-N 260.768 3.609 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccc(C)c(O)c1 354417065 WOGZIUVKITYUNU-UHFFFAOYSA-N 299.345 3.668 30 20 CHED CC[C@H](C)n1ncc(NC(=O)[C@](C)(C#N)CC)c1C1CC1 354437060 UYRDSOUCDRHBDJ-ZBEGNZNMSA-N 288.395 3.610 30 20 CHED C=CCCC1(C(=O)N2CC=C(c3ccc(C)nc3)CC2)CC1 356690178 BFZLOFDGSGOAFC-UHFFFAOYSA-N 296.414 3.752 30 20 CHED N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CC12CCCCC2 357007761 FKOPUKXBFKGLTK-CQSZACIVSA-N 287.338 3.542 30 20 CHED CC(C)Sc1ccc(Cn2ccc(C#N)c2)cc1 358290141 HUZJEOZDBROOFG-UHFFFAOYSA-N 256.374 3.909 30 20 CHED Cc1cc([C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)c(C)o1 360112450 XSGMRQDDVZJAQW-CHWSQXEVSA-N 296.370 3.749 30 20 CHED C=CCCC(=O)N1CCOc2cc(Cl)c(Cl)cc21 362009433 AVTHNOUCVJQBRJ-UHFFFAOYSA-N 286.158 3.685 30 20 CHED C#CCCCCC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 362642803 VYJMBKCREPGRKS-UHFFFAOYSA-N 294.398 3.555 30 20 CHED COc1ccc(C[C@@H]2CCCN(CCCCC#N)C2)cc1 369620491 XQWMBVXAOCDHDB-KRWDZBQOSA-N 286.419 3.644 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccccc1O 374267139 DGKNPZFFPBRVSL-MSOLQXFVSA-N 292.382 3.664 30 20 CHED CCCCCCCC(=O)N[C@H]1CCCC12CCOCC2 374458398 ZTVFLVJYVKLGCN-HNNXBMFYSA-N 281.440 3.812 30 20 CHED N#Cc1cc(F)cc(OCc2ccc(Cl)s2)c1 383332422 VSGNCFQJLBBTRI-UHFFFAOYSA-N 267.712 3.991 30 20 CHED CC(=O)c1ccc(OCc2ccc(CC#N)cc2)c(C)c1 399024876 ITDBXLSAYFWIFL-UHFFFAOYSA-N 279.339 3.843 30 20 CHED C[C@H](CCc1ccc(O)cc1)NCc1ccc(C#N)c(F)c1 404840427 MJPSZDLFDPVULR-CYBMUJFWSA-N 298.361 3.514 30 20 CHED C=CC[C@@H](CC)NC(=O)CSc1ccc(C)cc1C 410135895 PNIITTIQIABUTK-CQSZACIVSA-N 277.433 3.866 30 20 CHED CCC[C@H](NC(=O)C1(C#N)CCCC1)C1CCCC1 411120051 CMPFZCHRTRGSCQ-AWEZNQCLSA-N 262.397 3.545 30 20 CHED CCC[C@H](NCC(C)(C)CC#N)c1cccc([N+](=O)[O-])c1 414170569 SUVWVNPUDSWNDU-HNNXBMFYSA-N 289.379 3.965 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cccnc1 414302078 MMOVEQAJWZIDNI-CRAIPNDOSA-N 266.388 3.920 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc(Cl)cc1Cl 417622896 HWBUJFKPNNYLCU-LLVKDONJSA-N 288.174 3.502 30 20 CHED CCO[C@H](CNCc1ccc(C#N)c(F)c1)c1ccccc1 421382969 JGVJVLWEJZWCEG-GOSISDBHSA-N 298.361 3.565 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H]2CCCF)s1 421874873 IQIIQYGCCZCUEF-RISCZKNCSA-N 266.385 3.628 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cccc(-c3ccncc3)c2)C1 424202903 TXNXVBAVFFLCRS-KDOFPFPSSA-N 277.371 3.530 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2nncn2CC)c1 424587362 VYTGTOJXOXWOPN-UHFFFAOYSA-N 298.390 3.506 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)NCC(C)(C)CC#N 424888696 GYRXHCNSXWDYHC-HNNXBMFYSA-N 286.419 3.620 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@]1(C)CCC[C@H]1C 425641449 VOUKMVGJKPXECQ-HBUWYVDXSA-N 284.403 3.904 30 20 CHED CCOc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1F 425959414 KEILMAKSSOOXST-MRXNPFEDSA-N 290.382 3.739 30 20 CHED C=C[C@H]1CCCCN1Cc1nc2ccc(F)cc2s1 426558192 IAFOCKALSNJENK-LBPRGKRZSA-N 276.380 3.976 30 20 CHED CCCC[C@H](C)N(C)C(=O)[C@@H](C#N)CCc1ccccc1 428158659 RLBQSSBNYMXXJF-DOTOQJQBSA-N 286.419 3.796 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H]2CC[C@H](C)C2)cc1 429234198 OKJSKWMCTWUGPW-ZFWWWQNUSA-N 273.376 3.512 30 20 CHED CSC[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 429288964 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780282551 GTPKAHGECIBWTG-UHFFFAOYSA-N 288.782 3.919 30 20 CHED C[C@@H]1C(=NNc2nncc3ccccc23)CCC[C@H]1C 781116502 FCUPIZZETPMNPH-NEPJUHHUSA-N 268.364 3.854 30 20 CHED Cc1cccnc1C=NNc1ccccc1C(F)(F)F 781571080 GSBGJZODTVUFQP-UHFFFAOYSA-N 279.265 3.855 30 20 CHED CCO[C@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 783179693 WWORYYIDHPIVBZ-HNNXBMFYSA-N 289.375 3.637 30 20 CHED CC(C)(C)C1CCC(C=NNC2CCOCC2)CC1 783854744 AAGZSYUKMLOISC-UHFFFAOYSA-N 266.429 3.593 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C1(CC)CC1 783871826 AKUPOFVVHKCWKW-UHFFFAOYSA-N 273.376 3.713 30 20 CHED CCCCCCC(=O)COc1ccc(C#N)cc1OCC 783980768 WCTIDLOFNSQTBD-UHFFFAOYSA-N 289.375 3.875 30 20 CHED CC(C)[C@@H](C#N)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786384843 YZGUUAZSLZHJEN-MLGOLLRUSA-N 284.359 3.753 30 20 CHED COc1c(C/N=C\c2ccccc2O)oc2ccccc12 788675249 SHDZDDBNSDOMAJ-ZDLGFXPLSA-N 281.311 3.766 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3cccs3)cn2c1 789127967 POZCXPJGCGZFRI-AATRIKPKSA-N 268.341 3.600 30 20 CHED CCCCCCCCS(=O)(=O)c1ccc(COC)cc1 790173226 FSNKJTJFZLSPJU-UHFFFAOYSA-N 298.448 3.967 30 20 CHED CC(=NNCc1cccc(Cl)c1Cl)c1cccnc1 790182997 IXSLBCJXUQSXGV-UHFFFAOYSA-N 294.185 3.902 30 20 CHED C=CCN(C(=O)Cc1cccc(C(F)F)c1)C(C)C 790792847 RXHQNTDSBMGKRN-UHFFFAOYSA-N 267.319 3.590 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC=C(c2ccc(C)cc2)CC1 791058373 FRPPMEUCIIBUIZ-GOSISDBHSA-N 296.414 3.596 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@](C)(OC)C1 792147064 FNQIQCAPCGAFKV-INIZCTEOSA-N 284.444 3.557 30 20 CHED CC(C)[C@@H](C=NNCC(F)(F)F)c1ccccc1 794533951 CIQRLVWIDDBPPK-GFCCVEGCSA-N 258.287 3.564 30 20 CHED CCC(=NOCCSC)c1cc(Cl)ccc1OC 794573698 HRPZDUVENZWXQP-UHFFFAOYSA-N 287.812 3.842 30 20 CHED CC(C)C1CCC(C=NO[C@H]2CCCCO2)CC1 794922746 LNZRLLZTPXQFBH-NRXISQOPSA-N 253.386 3.978 30 20 CHED CCCCCCCCNCC1CCC2(CC1)OCCO2 795890826 RDLOYAXTKWGTHW-UHFFFAOYSA-N 283.456 3.870 30 20 CHED Cc1occc1COC(=O)c1ccc(C(C)(C)C#N)cc1 796710890 XONAZCUZQIGEOS-UHFFFAOYSA-N 283.327 3.746 30 20 CHED N#CCOc1cccc(NCCSCc2ccccc2)c1 797601551 VXNHLDDRBDPKHP-UHFFFAOYSA-N 298.411 3.934 30 20 CHED Cc1cc(F)ccc1NN=Cc1cn(C(C)C)nc1C 799112314 RXMLVEAPMFCHKV-UHFFFAOYSA-N 274.343 3.666 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)c1c(F)cc(C#N)cc1F 799494066 AQMAMUHERNFQQE-LBPRGKRZSA-N 279.286 3.572 30 20 CHED COc1cc(/C=C\C(=O)c2cc(F)ccc2F)ccc1C#N 799495454 RIJCYAJRZJYULT-CLTKARDFSA-N 299.276 3.741 30 20 CHED Cn1cnc(/C=C2/Cc3cc(Cl)cc(Cl)c3C2=O)c1 800794861 SBSVQYAUTRICGG-WTKPLQERSA-N 293.153 3.549 30 20 CHED C=CCCCCCCNC(=O)Cc1cccc(F)c1 805218396 ZSZPIQQOFFIYRK-UHFFFAOYSA-N 263.356 3.621 30 20 CHED N#CCCCCCC(=O)OCc1ccc(Cl)cc1F 805696942 MKPWBOWPZZLCMC-UHFFFAOYSA-N 283.730 3.996 30 20 CHED C=CCCCCCCNC(=O)Nc1nnc(C2CC2)s1 806130327 VLZMRORGUYEARU-UHFFFAOYSA-N 294.424 3.674 30 20 CHED CC[C@@H](NCC1(CC#N)CC1)c1cccc(Cl)c1O 806164519 VSWFBBBDHREWFS-CYBMUJFWSA-N 278.783 3.780 30 20 CHED CCc1ccccc1NC(=S)NCC(C)(C)CCC#N 806596941 CGVWDUNAJVLRNJ-UHFFFAOYSA-N 289.448 3.865 30 20 CHED C=CC[C@@H]1N(C(=O)C2=C(C)OCCS2)CCCC1(C)C 807425350 QNVBOLSDWBPYHN-ZDUSSCGKSA-N 295.448 3.575 30 20 CHED C#C[C@H](NC(=O)CC[C@H](C)c1ccccc1)C(C)(C)C 807884738 VQCGMKAAXNDGDW-HOCLYGCPSA-N 271.404 3.734 30 20 CHED CC(=NNc1ncccc1F)c1cc(Cl)cc(C)c1O 807988746 XZINAONLYUYDJI-UHFFFAOYSA-N 293.729 3.724 30 20 CHED CC(=NNc1nc[nH]n1)c1ccccc1SC(C)(C)C 807997203 UATMMLGQHBEMSW-UHFFFAOYSA-N 289.408 3.531 30 20 CHED C#C[C@@H](NC(=O)N[C@H](C)c1cc(C)sc1C)C(C)(C)C 808214485 JWFGVYVLSPPKIG-BXUZGUMPSA-N 292.448 3.773 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)C1(C(F)F)CCCC1 808648548 URMARGOSFAQZCK-UHFFFAOYSA-N 296.288 3.546 30 20 CHED Cc1cc(OC(=O)C2CCCC2)c(C)c(C)c1C#N 809035006 UALDNMLLNXVYKH-UHFFFAOYSA-N 257.333 3.579 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@@](C)(C#N)CSC 809137132 RPNBZJKZWATJCG-HIFRSBDPSA-N 284.469 3.744 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C\c2cnccn2)c1 809156725 JNCPIVLDSGXUOB-SREVYHEPSA-N 266.344 3.571 30 20 CHED C#Cc1ccc(CN(C)[C@H](C)c2ccc(OC)cc2)cc1 809543855 VWQKIBNPYPXURY-OAHLLOKOSA-N 279.383 3.870 30 20 CHED C#Cc1ccc(CNC[C@@H](C)Cc2cccs2)cc1 809623975 FYYARPHZHMIAJH-AWEZNQCLSA-N 269.413 3.698 30 20 CHED C#C[C@H](C)NCCCCc1cccc(C(F)(F)F)c1 809684321 YLWKEKSMIOXIMX-LBPRGKRZSA-N 269.310 3.639 30 20 CHED C=CCOc1ccc(COC(=O)C2(F)CCCCC2)cc1 810676125 OIQRPBJYRLSLPH-UHFFFAOYSA-N 292.350 3.967 30 20 CHED C=CCN(Cc1ccnc(Cl)c1Cl)C(C)C 811456269 JVWKYAIXGUHYLT-UHFFFAOYSA-N 259.180 3.785 30 20 CHED Cc1cccc(C(C)C)c1NN=CC1CCOCC1 812231990 NYAGNCWCNRLFKU-UHFFFAOYSA-N 260.381 3.943 30 20 CHED CC(C)[C@@H]1N(c2nc(Cl)c(C#N)s2)CC12CCC2 813611748 COTKGBOLFPWXIE-JTQLQIEISA-N 281.812 3.683 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2ccc(C(=O)O)cc2)CS1 814680901 NJKJRZJKGYBENT-ZDUSSCGKSA-N 292.404 3.704 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccccc1C#N 814873181 QGPXWZKQFYXHNQ-UHFFFAOYSA-N 283.762 3.725 30 20 CHED C=CCCn1cc(C(=O)Oc2ccccc2[C@H](C)CC)nn1 819942649 BDJZBKBILKVWJA-CYBMUJFWSA-N 299.374 3.587 30 20 CHED CC(C)C#CC(=O)Nc1cccc(OC2CCCC2)c1 820910256 AFPDYPHDXQXTBW-UHFFFAOYSA-N 271.360 3.606 30 20 CHED C#Cc1cccc(NC(=O)C[C@]2(C)CC2(Cl)Cl)c1 822321633 ULPASGOZHTZCSY-CYBMUJFWSA-N 282.170 3.580 30 20 CHED CC[C@@H](COC)Nc1ccc(OC(C)(C)C)c(C#N)c1 824722447 SVZCBLITBWAPLK-ZDUSSCGKSA-N 276.380 3.572 30 20 CHED CCCCCC[C@H](C)NN=Cc1cc(C(=O)O)c(C)o1 829357717 VAQMSSJQABYCHL-NSHDSACASA-N 280.368 3.569 30 20 CHED Cn1ncc(Cl)c1/C=C\C(=O)c1cccc(C2CC2)c1 834444475 FDCUOJCLWNZWQY-FPLPWBNLSA-N 286.762 3.847 30 20 CHED CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1nc(C)cs1 835034316 ADYPIIQIMNPTSK-NEPJUHHUSA-N 264.394 3.700 30 20 CHED CC[C@H](CC#N)OC(=O)C1(Cc2cccc(Cl)c2)CC1 835341480 VCFGFFPKNRHWGX-CQSZACIVSA-N 291.778 3.898 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C 836887979 HXFAKJXBVNGNGO-WBVHZDCISA-N 263.425 3.709 30 20 CHED Cc1cccc([C@@H](C)NC(=O)C#CC(C)(C)C)c1C 837424504 UKPHFIMBZLIRAY-CQSZACIVSA-N 257.377 3.530 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccccc2C(F)(F)F)C1 839054071 GSHPJIPJNAECID-WDEREUQCSA-N 297.276 3.945 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ncoc2-c2ccccc2)C1 839054515 VROZCOQCQRBFFU-JSGCOSHPSA-N 296.326 3.581 30 20 CHED Cc1cc2ccccc2n1CC(=O)O[C@@H]1CCC[C@H](C#N)C1 839059104 VPFOCRMTHGTLPX-GOEBONIOSA-N 296.370 3.575 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C(C2CCC2)C2CCC2)C1 839064313 WDPIHCSNPMBQTJ-SWLSCSKDSA-N 275.392 3.828 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1nc(Cl)c(C#N)s1 841227152 ZCNHYUXSBGVTBO-MRVPVSSYSA-N 285.800 3.823 30 20 CHED CCC(CC)n1ccc(COc2cccc(OCC#N)c2)n1 842108129 GADJTHNIRZWYLV-UHFFFAOYSA-N 299.374 3.726 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(C)C 842196237 MHZVKBYAYUGMQI-QGZVFWFLSA-N 297.402 3.542 30 20 CHED CCC(=CC(=O)[C@H](C#N)c1nc(C2CC2)cs1)CC 842942393 YDJHSASOWXCOIT-LBPRGKRZSA-N 274.389 3.943 30 20 CHED N#CCC1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 845513105 GZQNMVJEHDGRGU-UHFFFAOYSA-N 297.717 3.517 30 20 CHED CCCCCCCCNC(=N)NCCc1ccc(C)o1 849063419 GWYIRTWFIVQABB-UHFFFAOYSA-N 279.428 3.605 30 20 CHED CC[C@](C)(C#N)C(=O)OCC[C@H]1CCc2ccccc21 849775372 IKSMVTORCDKNNZ-RHSMWYFYSA-N 271.360 3.590 30 20 CHED N#C[C@@]1(C(=O)OCCCC2CCC2)CC12CCCC2 849791111 KHVDKTKZUKVTGK-MRXNPFEDSA-N 261.365 3.584 30 20 CHED CC(=NNc1cc(F)cc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1O2 853395540 AQAQGUOFRWYSAZ-MGPQQGTHSA-N 282.746 3.834 30 20 CHED C#C[C@@H](OC(=O)CC[C@@H](C)SC)c1ccc(C)cc1 860964240 KYEWSYVZXOBGLN-UKRRQHHQSA-N 276.401 3.744 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C/c1ccc(SC)s1 861512648 OEFQWUQDQGEQBF-MXMFLMJRSA-N 281.446 3.954 30 20 CHED CC[C@@H](C)c1ccc(C(C)=NNc2ncccn2)cc1 863079062 FEEKGKHYUMXDTL-GFCCVEGCSA-N 268.364 3.826 30 20 CHED CC(=NNc1ccc(F)c(Cl)c1)C1CCOCC1 863178995 MXBJAQBTPGNDLB-UHFFFAOYSA-N 270.735 3.694 30 20 CHED C#CCCCCC(=O)Nc1cccc2c1OC(C)(C)CC2=O 870770630 NAPMPOCOTGVCLT-UHFFFAOYSA-N 299.370 3.563 30 20 CHED CC(C)c1nn(C)cc1-c1ccc(C2(C#N)CC2)cc1 871885992 XNCVDGUHLBEGAH-UHFFFAOYSA-N 265.360 3.766 30 20 CHED C[C@@H](CC(=O)N(C)c1ccc(C#N)c(Cl)c1)C1CC1 876166258 OLXQODPPZNZTBF-JTQLQIEISA-N 276.767 3.611 30 20 CHED CCC[C@H](CC)C(=O)Nc1cc(C#N)c(F)cc1F 876352174 VYBKEJKTUPRIOC-VIFPVBQESA-N 266.291 3.601 30 20 CHED CC(=O)[C@](C#N)(CCN(C(C)C)C1CCC1)c1ccccc1 878255167 NLLLLIRFNXOXNI-LJQANCHMSA-N 298.430 3.690 30 20 CHED C=CCCC[C@@H](NCc1cnn(C)c1C)c1ccccc1 880390313 XYKZPTAJSKKNQJ-GOSISDBHSA-N 283.419 3.916 30 20 CHED CCC1(C)CCN(C(=O)Nc2cc(C#N)ccc2F)CC1 888356018 AXDSNXNQTOTTFI-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=CC(C)(C)CC(=O)N(C1CC1)[C@@H](C)c1ccco1 888373936 VYRYGYUJWXVOHP-LBPRGKRZSA-N 261.365 3.934 30 20 CHED Cc1cc(Oc2ccccc2C#N)nc(C2CCC2)n1 891437253 VDHAAFNNMBHMTM-UHFFFAOYSA-N 265.316 3.717 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(=C)CC1 895381552 XXAWMXFZCIDTQN-KRWDZBQOSA-N 284.403 3.535 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1CCCc2cccnc21 896413854 XSSSDQPRHVSGKX-SNVBAGLBSA-N 290.779 3.553 30 20 CHED N#Cc1nc(N[C@H](c2ccncc2)C2CC2)sc1Cl 897423294 IFTKUSTUSCKLNP-NSHDSACASA-N 290.779 3.626 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1ccccc1F 901166226 ZMSBGUCLBBLBLY-UHFFFAOYSA-N 274.343 3.666 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1ccnc(Cl)c1 901263282 XFIYXIHUMDYHEY-UHFFFAOYSA-N 291.786 3.575 30 20 CHED N#CC1(CCCCOc2ccccc2[N+](=O)[O-])CCC1 901373585 NDXWMHSARYQVHE-UHFFFAOYSA-N 274.320 3.838 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2nc(C)c(C)[nH]2)cc1C 901492060 UHECJMXTEHIJJM-SREVYHEPSA-N 284.359 3.548 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@@H]1CCC(C)C)C(=O)O 901689782 GRYOQXKHZMLDCR-KFWWJZLASA-N 267.413 3.600 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cc(Br)ccc1F 903105578 FBERPGIZMCRVNZ-VIFPVBQESA-N 297.171 3.543 30 20 CHED C=CCCC[C@@H](N)c1nc(C2CCC(C)CC2)no1 904576408 HSZPODTYCPWBJI-WXRRBKDZSA-N 263.385 3.719 30 20 CHED N#CCc1cc(-c2ccccc2OC[C@H]2CCOC2)cs1 904757696 KMIFXISOZDPFMQ-ZDUSSCGKSA-N 299.395 3.896 30 20 CHED Cc1cccc(C/N=C/c2cc3ccccc3nc2O)c1 912787420 QXGRDAUPTXACTF-XDHOZWIPSA-N 276.339 3.868 30 20 CHED CCc1ccc(C=NNCc2cc(F)ccc2F)cc1 915979247 RCXQYQZNMRKVLA-UHFFFAOYSA-N 274.314 3.651 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2F)cc(C)c1O 916250888 PLNTVRKXCPVIGQ-UHFFFAOYSA-N 276.286 3.733 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccccc1 916268887 CXPFWMUSGWDENO-UHFFFAOYSA-N 269.304 3.821 30 20 CHED COc1cc2c(cc1C=NNc1ccc(C)cc1)O[C@@H](C)C2 916539763 HGMKEJQUSGGMIE-ZDUSSCGKSA-N 296.370 3.773 30 20 CHED C=C(Br)CSc1ncnc2sccc12 918714388 ILZRMQPOTZFABW-UHFFFAOYSA-N 287.207 3.692 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1cccc(F)c1F 925666353 RVQPHBNQICAIRP-MNOVXSKESA-N 266.335 3.944 30 20 CHED COC1CCC(CCNc2cc(C#N)cc(Cl)n2)CC1 1160638786 AHUCCRHJMNQNFW-UHFFFAOYSA-N 293.798 3.614 30 20 CHED CCN(CCc1ccc(C#N)cc1)Cc1ccccc1F 1208928057 SDNADVJJPRZKPP-UHFFFAOYSA-N 282.362 3.762 30 20 CHED C#C[C@H](NC(=O)N(C)CC1CCCCC1)c1ccccc1 1261648700 NHHZCZZBFSREIG-KRWDZBQOSA-N 284.403 3.583 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H]1CCc2c(Cl)cccc21 1262813087 OJZXEMOUSBEKMD-RISCZKNCSA-N 290.794 3.520 30 20 CHED COc1cc(NC(=O)C(C)(C)CC(C)C)c(F)cc1C#N 1280498947 LDOPADXOWVUYDX-UHFFFAOYSA-N 292.354 3.717 30 20 CHED C=CCn1cnnc1SCCCc1ccc(Cl)cc1 1318720984 ZWBCJFWSRPEZLB-UHFFFAOYSA-N 293.823 3.842 30 20 CHED CCCCNc1nnc(S[C@H]2CC[C@H](C#N)C2)s1 1324719535 CXVYSZWDKMWBCZ-UWVGGRQHSA-N 282.438 3.534 30 20 CHED N#Cc1ccc(-c2nnc(C=C3CCSCC3)o2)cc1 1325750023 BWOKMTMIMAHXSX-UHFFFAOYSA-N 283.356 3.519 30 20 CHED CCC[C@H]1C[C@H](c2nnc(-c3cccc(C#N)c3)o2)CCO1 1326941628 WOTZMERQRBPXFS-CABCVRRESA-N 297.358 3.671 30 20 CHED N#CC1(CC(=O)OCc2cccc(F)c2)CCCCC1 1327183811 MKLWHGXVPIQPIE-UHFFFAOYSA-N 275.323 3.733 30 20 CHED C=CCC(F)(F)c1nnc(-c2cc3c(s2)CCC3)o1 1327324302 CCJVNHSJKDJRCV-UHFFFAOYSA-N 282.315 3.955 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc(C(C)(C)OC)no1 1329353491 DIQAQWRIQBZDIB-ZDUSSCGKSA-N 272.348 3.659 30 20 CHED N#Cc1cc(C(=O)N(C2CCCCC2)C2CC2)cs1 1330503797 HDHKFJDBYAEPOI-UHFFFAOYSA-N 274.389 3.557 30 20 CHED C#C[C@@H](NC(=O)C1(C(C)(F)F)CC1)c1ccc(Cl)cc1 1331321505 GZWPPYQHDCHIST-GFCCVEGCSA-N 297.732 3.566 30 20 CHED C#Cc1ccc(N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)nc1 1336634119 QAHUDTCDDDQPOF-BETUJISGSA-N 282.309 3.620 30 20 CHED Cc1cccc2cc(C(=O)O[C@H]3CC[C@H](C#N)C3)oc12 1342665420 YVJCGGXLNYCMJP-AAEUAGOBSA-N 269.300 3.590 30 20 CHED Cc1cccc([C@@H](C)CNc2cccc(CC#N)n2)c1 1342844896 ZDYWEZOSQDYAQI-AWEZNQCLSA-N 265.360 3.672 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)[C@H](C#N)c1ccncn1 1345579266 JGCWTAGQKIOYGJ-OAHLLOKOSA-N 293.370 3.555 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N(C)C1CCCCC1 1346270551 UOQNDZVACTXFPJ-UHFFFAOYSA-N 284.354 3.561 30 20 CHED C=C(CC)C(=O)Nc1ccc(C)cc1OCC(F)(F)F 1346304692 AHBGOBVKKNRDCK-UHFFFAOYSA-N 287.281 3.841 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)cn2)c2ccccc12 1435032563 QIOVMTJIYSUJGJ-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1ccc(F)c(C)c1 1439107228 XFDXZVMLRTVXGQ-UHFFFAOYSA-N 288.347 3.734 30 20 CHED COc1ccc(C)cc1CNc1nc(C#N)c(Cl)s1 1458132014 LXZXHEHMBCHOHA-UHFFFAOYSA-N 293.779 3.597 30 20 CHED CCC[C@H]1CCCC[C@@H]1Nc1ncc(C#N)cc1F 1458166297 QIHBGGAQCHYFMY-JSGCOSHPSA-N 261.344 3.863 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc(F)cc(C#N)c1 1467153833 ZXWDULUNPWRXSG-GHMZBOCLSA-N 277.343 3.644 30 20 CHED CC[C@H]1CCC[C@H](Nc2c(C#N)cccc2C#N)C1 1472701893 IELKYZXHIWWRPR-WFASDCNBSA-N 253.349 3.811 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2c(F)cc(C#N)cc2F)C1 1527731683 DXMIAHZFLORJSJ-NSHDSACASA-N 293.313 3.962 30 20 CHED CC1(C)CCCN(c2c(Br)cccc2C#N)C1 1559165386 DZVPAYUZAQBXOZ-UHFFFAOYSA-N 293.208 3.947 30 20 CHED CSC1(CNc2c(Br)cccc2C#N)CC1 1559178600 TTZPNLILASSXTK-UHFFFAOYSA-N 297.221 3.628 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)Nc2sccc2C#N)C1 1563023406 GFWHROJBLLLQCW-GFCCVEGCSA-N 291.420 3.910 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2sccc2C#N)C1 1563023851 NYUBKYJZSFRYGM-DGCLKSJQSA-N 291.420 3.956 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccsc1C#N 1583877354 NAFUPTFYBHIVRE-STQMWFEESA-N 290.432 3.956 30 20 CHED C=CCCCCCNc1cc(F)c(C(=O)O)c(F)c1 1588799694 AYXOHOBLLKSUSH-UHFFFAOYSA-N 269.291 3.821 30 20 CHED C=CCCCOc1ccn(Cc2ccccc2)c1C(=O)O 1588803849 NUQYEYFFRDJOFU-UHFFFAOYSA-N 285.343 3.580 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(C)c1)C1CCCC1 1620936084 PYQUNFIZHCTENE-QGZVFWFLSA-N 256.393 3.925 30 20 CHED CC[C@@H](CNc1nccc(C)c1C#N)c1ccccc1 1639390786 VPESBSCICZJHDT-AWEZNQCLSA-N 265.360 3.867 30 20 CHED Cc1cc(N2CCC[C@H]2/C=C\c2ccccc2)ncc1C#N 1643252052 ZBIXYLWSAXQEEQ-LPADLIQXSA-N 289.382 3.944 30 20 CHED N#CC1(CCN2CC[C@H](C3CCC3)C2)CCCCC1 1646175481 CSZQUMMRVAIPCE-INIZCTEOSA-N 260.425 3.973 30 20 CHED CC1(C)CN(CCOc2ccccc2C#N)c2ccccc21 1647944997 YEPINWHBJFIYBM-UHFFFAOYSA-N 292.382 3.735 30 20 CHED CCO[C@H]1C[C@H](Nc2ccc(C#N)c(C)n2)C1(CC)CC 1650800946 CYQHCDARIOJIAX-GJZGRUSLSA-N 287.407 3.657 30 20 CHED CCCCc1cc(N(CCC#N)CC(CC)CC)ncn1 1651707941 IMKHDFMZBGHHNC-UHFFFAOYSA-N 288.439 3.975 30 20 CHED CC[C@@H](C)N(CC)Cc1ccc(C#N)cc1Br 1659398532 PMTOKJUBBLJNST-LLVKDONJSA-N 295.224 3.941 30 20 CHED Cc1ccccc1COC(=O)N[C@H](C)c1ccc(C#N)cc1 1666732260 QXFDMRVWFYTNKJ-CQSZACIVSA-N 294.354 3.854 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)C2CCC(C)CC2)c1 1672775205 GESKGYBWLOWMBJ-UHFFFAOYSA-N 285.391 3.909 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ccc(C(=O)O)c(F)c1 1776074571 IGYUDXIQUUBLBF-SMDDNHRTSA-N 290.338 3.914 30 20 CHED Cc1c(NN=C2CC[C@@H]2C(C)(C)C)cccc1C(=O)O 1776088596 WPCCDWQOCRVCIT-LBPRGKRZSA-N 274.364 3.917 30 20 CHED C=CCCCCCCCNc1ncccc1C(=O)O 1776172833 LPSGOZYQYMOUID-UHFFFAOYSA-N 262.353 3.718 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)o1 25437547 ZZVUNPZBBZFQFH-UHFFFAOYSA-N 268.316 3.642 30 20 CHED C=C(C)COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 28353152 QXTPXRUTRJLTRR-UHFFFAOYSA-N 291.347 3.767 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)cc2O)c(C)c1 39172727 GAJPXCGUDBOROB-VMPITWQZSA-N 268.312 3.611 30 20 CHED N#CC1(C(=O)NCCc2cccc3ccccc23)CCCC1 41949188 DZOWNSBKFYHHHR-UHFFFAOYSA-N 292.382 3.582 30 20 CHED C[C@@H](Nc1ncccc1C#N)c1ccc(OC(F)F)cc1 44724793 BKAIDYHZFMKQGA-SNVBAGLBSA-N 289.285 3.728 30 20 CHED C=CCn1cnnc1SCc1ccc(C(F)(F)F)cc1 48398359 PUGRJYAMKUIIIL-UHFFFAOYSA-N 299.321 3.775 30 20 CHED C=CCOc1cccc(NC(=O)/C=C/c2cccs2)c1 48975771 HFMMDEKVYPDPFR-CMDGGOBGSA-N 285.368 3.965 30 20 CHED CSc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 49091579 WZVCJAAIJJXBGW-UHFFFAOYSA-N 282.412 3.912 30 20 CHED C#CCNC(=O)N(CCC)[C@H](C)c1cc2ccccc2o1 54541949 DCZVCKYWYXWPHQ-CYBMUJFWSA-N 284.359 3.549 30 20 CHED Cc1cccc(NC(=O)CSCc2ccc(C#N)cc2)c1 58235870 VKUFWMXMMKOZEA-UHFFFAOYSA-N 296.395 3.739 30 20 CHED C=C(C)CN(CC)C(=O)CCc1nc2ccccc2s1 60624885 YPMYDDYTVPPNDU-UHFFFAOYSA-N 288.416 3.654 30 20 CHED C=CCNC(=O)CS[C@H](C)c1cccc2ccccc12 63650043 ILRHXENJVIWDCZ-CYBMUJFWSA-N 285.412 3.936 30 20 CHED Cc1cc(O)c(C(C)C)cc1C(=O)Nc1cccc(C#N)c1 75912389 YRGZQBRKGRTXJE-UHFFFAOYSA-N 294.354 3.948 30 20 CHED CCc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)o1 83982189 NZTZNOVMBPCXQM-HWKANZROSA-N 278.254 3.722 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@@H]2c2ccccc2)c1 84179699 BUCCOSFOVBNUBZ-CQSZACIVSA-N 282.368 3.597 30 20 CHED CCCc1nsc(N[C@H](C)c2ccc(C#N)cc2)n1 87640743 VGRKTCPGUUUPEX-SNVBAGLBSA-N 272.377 3.535 30 20 CHED CC(=O)c1cc(Cl)ccc1OCC1(CC#N)CC1 88255520 FMKQXAAAECZUEZ-UHFFFAOYSA-N 263.724 3.615 30 20 CHED C=CCN1CCC(N[C@H](c2ccc(C)cc2)C2CC2)CC1 91334223 OTSYECKUAVNGOD-LJQANCHMSA-N 284.447 3.686 30 20 CHED C#CCCCCNC(=O)C[C@H](C)Cc1ccc(Cl)cc1 92959759 FCFANPGDUVEEOY-CQSZACIVSA-N 291.822 3.828 30 20 CHED C=C(Cl)COC(=O)/C=C/c1nc2ccccc2s1 104774697 BOOSOFSJWHDOSD-VOTSOKGWSA-N 279.748 3.605 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc(Cl)c1 106422572 GINZWRSUPKECNH-UHFFFAOYSA-N 278.783 3.932 30 20 CHED C=CC1CCN(C(=O)c2cc(Cl)ccc2F)CC1 110368554 QBRCTXQMOTTZDL-UHFFFAOYSA-N 267.731 3.517 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C)o1 112184208 DGQLRTYNYUXJJU-UHFFFAOYSA-N 261.365 3.797 30 20 CHED C=CCNC(=O)N[C@H](c1ccccc1Cl)C(C)C 115641943 UKZYIVVYNJOAOY-ZDUSSCGKSA-N 266.772 3.522 30 20 CHED C[C@H](CC(=O)[C@H](C#N)c1ccccn1)c1cccc(F)c1 116592238 SNZWACVRUAAXES-IUODEOHRSA-N 282.318 3.591 30 20 CHED C#CCCCCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 119892335 AFAZWJGOPHPYOI-LSDHHAIUSA-N 275.779 3.506 30 20 CHED N#CCC[C@@H](C#N)CN[C@H](c1ccc(F)cc1)C1CCC1 119901262 COJYRIFFHXPTPT-GUYCJALGSA-N 285.366 3.700 30 20 CHED C#CCCCCC(=O)Nc1cc(F)ccc1Br 120269641 CCCHLHLOKZXJAB-UHFFFAOYSA-N 298.155 3.720 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 120941863 QHVNBVIZSRECDA-CYBMUJFWSA-N 295.386 3.857 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1ccc(F)c(F)c1 122386714 FDWMCJAIFMKWJF-UHFFFAOYSA-N 279.330 3.692 30 20 CHED C=C[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 123465950 HTSZCTKQZVJHFF-SSDOTTSWSA-N 260.215 3.600 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 123960909 YHCJOVVKGSRFFO-IRXDYDNUSA-N 292.382 3.773 30 20 CHED C=CCn1c(C2CC2)nn(CN(CCC)CCC)c1=S 124349220 LSROPRYWLVXFMQ-UHFFFAOYSA-N 294.468 3.557 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Cc1cccc(Cl)c1 125745178 YXHAKKQRWNMDJM-WBMJQRKESA-N 292.810 3.573 30 20 CHED CCCCCCCCn1cnc2c(cnn2C(C)C)c1=O 126986841 CJADGWKLCAPKEB-UHFFFAOYSA-N 290.411 3.534 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2cccc(Cl)c2)o1 127255857 QGJXFQGBRJFCQM-SNVBAGLBSA-N 279.752 3.784 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc2c1ccn2C 128738509 QCWLTABXMFMMJT-UHFFFAOYSA-N 284.403 3.997 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)c1ccccc1 130390345 WOLJTZJKTDPQOH-UHFFFAOYSA-N 266.344 3.593 30 20 CHED N#CCC[C@@H](NC(=O)C1=CCCCC1)c1ccccc1 131781228 CQMFBLATOVKGEJ-MRXNPFEDSA-N 268.360 3.648 30 20 CHED C[C@H](Cc1ccc(F)cc1)Nc1cccc(C#N)c1 133599914 WAPHEQVYHYXIQG-GFCCVEGCSA-N 254.308 3.740 30 20 CHED CC(C)(C#N)c1ccccc1CSCc1ccon1 134049396 GBBWJVYFWRZAQF-UHFFFAOYSA-N 272.373 3.909 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C#N)cs2)c(O)c1 156704248 MGRUEBAEYSTWIX-HWKANZROSA-N 269.325 3.530 30 20 CHED C=CCCCCCN(C)C(=O)c1ccccc1COC 156791750 AFLQDJMWRHVSCA-UHFFFAOYSA-N 275.392 3.651 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](N2CCCC2)CC1 157266505 HELJVMIVFKQXJN-APWZRJJASA-N 297.446 3.570 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 157904351 NFYIVKROYCNFHU-KDOFPFPSSA-N 286.419 3.797 30 20 CHED C#CCCCCNC(=O)N[C@H](C)c1cc(C)sc1C 160335079 WTVVUQKMAUGFEX-GFCCVEGCSA-N 278.421 3.529 30 20 CHED CCCCN(Cc1ccc(C#N)cc1Cl)C1CC1 162880789 PAIRAASXCLVSQU-UHFFFAOYSA-N 262.784 3.976 30 20 CHED CC(C)[C@@H](CC(=O)N(C)C1(C#N)CCC1)c1ccccc1 171287185 FRBPDELDWHYKIU-MRXNPFEDSA-N 284.403 3.721 30 20 CHED C=CCCCC(=O)Nc1ccc(OC)c(Cl)c1 175088891 YZUGEQRHHRWIPQ-UHFFFAOYSA-N 253.729 3.643 30 20 CHED C#Cc1cccc(NC(=O)N(CC)C[C@H](C)CC)c1 175148985 BSLSZEGVSHJQEI-CYBMUJFWSA-N 258.365 3.568 30 20 CHED N#CCN(C(=O)c1cccc(F)c1Cl)c1ccccc1 175168776 AHFICWZWXKZZBC-UHFFFAOYSA-N 288.709 3.649 30 20 CHED CCOC(=O)c1ccc(/C=C2\CCc3ccccc3C2=O)o1 176853325 UMEUKWGLYMKOBA-ACCUITESSA-N 296.322 3.669 30 20 CHED CCCC(CCC)[S@@](=O)Cc1ccc(C#N)cc1 177109253 MVNZWZULBJKBCA-SFHVURJKSA-N 263.406 3.776 30 20 CHED CCC[C@@H](NCCCCC#N)c1ccc(OC)cc1 178641447 WUACIDAAJLZEAO-MRXNPFEDSA-N 260.381 3.820 30 20 CHED N#Cc1ccc(SCCCCCO)cc1C(F)(F)F 180389652 RLYYILMKKOCMOM-UHFFFAOYSA-N 289.322 3.832 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 180463756 MTYLHYFQYFYVHO-LBPRGKRZSA-N 299.336 3.919 30 20 CHED CC[C@@H](NCCCSCC#N)c1ccc(C)cc1 181709654 DMSOJPLPGIGMPG-OAHLLOKOSA-N 262.422 3.683 30 20 CHED Cc1nnc(SCc2ccc(F)cc2F)c(C#N)c1C 182707612 QKKPGMLRSVNWRX-UHFFFAOYSA-N 291.326 3.536 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1cccc(-n2cccn2)c1 183571042 YKWUFIFIMFKDAA-OAHLLOKOSA-N 296.418 3.853 30 20 CHED C[C@H](C#N)CNCc1ccccc1OCc1ccccc1 183826237 SGYKJCVGAMYASG-OAHLLOKOSA-N 280.371 3.515 30 20 CHED N#CCC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 185232072 BJGXORRRQRWUDD-HNNXBMFYSA-N 276.767 3.601 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1ccc(F)c(F)c1 186106257 MOPBAYZCXIRCDK-SNVBAGLBSA-N 266.287 3.619 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1ccco1 186185404 SEUQBXSQGKLXCI-ZDUSSCGKSA-N 254.333 3.653 30 20 CHED Cc1cc(C#N)ccc1CN(C)CCOCc1ccccc1 186256102 WIQCHBATIKHQEJ-UHFFFAOYSA-N 294.398 3.515 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](O)[C@H](C)C1 186619857 RUSIKLQVHBSNMA-HZPDHXFCSA-N 283.456 3.747 30 20 CHED C=CC[C@@H](C(=O)N1CCC[C@@H](C)C1)c1ccccc1 187272703 VCPTXJSLIITZNC-GDBMZVCRSA-N 257.377 3.605 30 20 CHED C[C@@H](c1cccnc1)N(C)Cc1ccc(Cl)cc1C#N 187365479 OFVMQTZEZIMUHO-LBPRGKRZSA-N 285.778 3.800 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 189437611 YKYWFXNCPZJHMF-QGZVFWFLSA-N 276.339 3.857 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccc(O)c1)CS2 191799125 FZIDHGUFKGFXBL-GHXNOFRVSA-N 298.363 3.773 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c(F)c2F)CCC1 191833806 PETGRHJOMCGQDU-UHFFFAOYSA-N 269.266 3.789 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 192300515 ZGGIBMWEKNGURS-SSDOTTSWSA-N 288.178 3.662 30 20 CHED COc1cc(NCc2ccc(F)c(C#N)c2)ccc1Cl 193318547 FBLAWBPHOAMXOG-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCNC(=O)c1ccc(NCc2ccc(C)cc2C)cc1 193923019 QMGAHZQIDIGKLW-UHFFFAOYSA-N 294.398 3.831 30 20 CHED Cc1cccc(CCN[C@@H](C)c2ccc(OCC#N)cc2)c1 194611007 RSDBBZNASUFMDQ-INIZCTEOSA-N 294.398 3.791 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)s2)c(OC)c1 212531429 DWWPHPXYTURNLP-CLFYSBASSA-N 288.368 3.970 30 20 CHED C=CCCC(=O)N1CCC[C@H]1/C=C\c1ccccc1 212837529 UYRNNSUKIRRBDZ-AHKFDXCISA-N 255.361 3.657 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 243730039 PSYSDEZQHNBFST-AOLWHUPESA-N 283.375 3.504 30 20 CHED N#CCOc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 252404602 CWPNKSOKUOMMAG-UWLPGLTFSA-N 282.387 3.826 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)N2CCC(C#N)CC2)cc1 255436267 GGKKRRGZUVJXMT-TWGQIWQCSA-N 296.414 3.759 30 20 CHED C/C(=C/C(=O)O[C@H](C)c1ccc(C#N)cc1)C1CC1 255543083 WUDYTHNRSFRNSL-UCQJPZFISA-N 255.317 3.519 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)/C=C\c2ccc(Cl)s2)C1 255770772 KFWALQREHLAJHM-IVRGCMMQSA-N 281.764 3.650 30 20 CHED C=C1CCN(Cc2coc(-c3ccc(OC)cc3)n2)CC1 264505851 WNYWFZSRJBTJPW-UHFFFAOYSA-N 284.359 3.502 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)OCC 270024565 JUTMGVPEMJSALB-SJORKVTESA-N 287.403 3.721 30 20 CHED Cc1nc2ccccc2n1C[C@H]1CCCN1CCCCC#N 270383709 WMLQFZHNJXHNKZ-MRXNPFEDSA-N 296.418 3.503 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](c2ccccc2C)C1 271386581 TWQFFUPZOLKEBC-MRXNPFEDSA-N 269.388 3.505 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1c(F)cccc1Cl)C1CC1 271615976 XPTGISAYIBNKMZ-JTQLQIEISA-N 296.773 3.900 30 20 CHED COCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccco1 272397165 DQQCHPYDGQVABB-BBRMVZONSA-N 284.359 3.580 30 20 CHED CC(C)OCCCCN[C@H](C)c1ccc(C#N)c(F)c1 272840460 JONHTFFSIDRBEP-CYBMUJFWSA-N 278.371 3.553 30 20 CHED N#CCCCNC(=O)CCCSc1ccc(Cl)cc1 273044474 PRHNBFPEOTZQGQ-UHFFFAOYSA-N 296.823 3.632 30 20 CHED C=CCCN[C@H](C)c1nc(-c2ccc(CC)cc2)no1 273328548 RQTUMWPVHCTVIU-GFCCVEGCSA-N 271.364 3.526 30 20 CHED C=C(Cl)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273410897 IDWGGJDWFROICK-HUUCEWRRSA-N 283.774 3.730 30 20 CHED C#CCC1(C(=O)N2CCc3c(F)cccc3C2)CCCCC1 276700727 UEPGSQIRRKXPKR-UHFFFAOYSA-N 299.389 3.684 30 20 CHED CC[C@H](NCc1ccc([C@@H](C)O)cc1)c1ccc(C#N)cc1 278259861 NMRJRFIKKUXQSG-KUHUBIRLSA-N 294.398 3.852 30 20 CHED CC[C@H](NCCCCn1ccnc1C)c1ccc(C#N)cc1 278673127 JIPYJBAZZOLFBG-SFHVURJKSA-N 296.418 3.584 30 20 CHED CCC[C@@H](CC)Sc1nccc(C#N)c1[N+](=O)[O-] 280206758 JWTMVQHJNDYPDU-SNVBAGLBSA-N 265.338 3.532 30 20 CHED C=C(C)CCc1noc(CSc2ccc(O)cc2)n1 285031775 GDPRVXYHWILFDN-UHFFFAOYSA-N 276.361 3.576 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)c1ccc(C(C)C)cc1 286841341 VZSVZTJJHORYNM-INIZCTEOSA-N 258.365 3.713 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(OC(C)C)cc2)no1 288824745 BAVSYIJHQAYONB-INIZCTEOSA-N 285.347 3.715 30 20 CHED COc1ccncc1CS[C@@H](C)c1cccc(C#N)c1 289476173 WRWBUBIFQSYRGN-LBPRGKRZSA-N 284.384 3.956 30 20 CHED CC(C)(CCC#N)CN1CCC(c2ccncc2)CC1 289879351 RYGBGYKPDWRSRD-UHFFFAOYSA-N 271.408 3.591 30 20 CHED C=CCOc1ccccc1-c1nc(CCC(F)(F)F)no1 289950732 BOPUJKPCTOHOIM-UHFFFAOYSA-N 298.264 3.796 30 20 CHED CC[C@H](C#N)NC(=O)C1(Cc2cccs2)CCCCC1 292570002 RLMZYRZOYZKOMK-CYBMUJFWSA-N 290.432 3.659 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccc(F)cc2F)no1)OCC 293376166 PPVKAMLLIKXVAR-ZDUSSCGKSA-N 294.301 3.539 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2nnc(C)o2)c1 293388906 QSXKGQFOYCUQCP-UHFFFAOYSA-N 285.347 3.586 30 20 CHED N#C[C@H]1CC[C@H](N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)C1 294162716 PMYZPCQUTBOFFN-WQANXHIZSA-N 278.399 3.999 30 20 CHED CCN(Cc1ccncc1C)[C@H](C)c1ccc(C#N)cc1 294767741 JEWQPDNCTSGJFT-OAHLLOKOSA-N 279.387 3.845 30 20 CHED Cc1ccccc1C1(C(=O)N(C)[C@@H](C)C#N)CCCCC1 297744666 LFAPJWOCRJILBO-HNNXBMFYSA-N 284.403 3.567 30 20 CHED N#Cc1ccc(NCCCc2nc3c(s2)CCCC3)cc1 301169494 WLGNENKNTUVSAE-UHFFFAOYSA-N 297.427 3.938 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1Nc1ccc(C#N)cn1 301851096 BDVHCEOCYNFRFH-SJCJKPOMSA-N 263.344 3.689 30 20 CHED C[C@@H]1CC[C@@H](C)N1c1ccc(C#N)c(C(F)(F)F)c1 301904959 PYHMDXLWOHIDBH-NXEZZACHSA-N 268.282 3.954 30 20 CHED CCC[C@@H]1CCCCN1c1ncc(C#N)cc1Cl 302128100 JCGCZBZRKDWEQT-GFCCVEGCSA-N 263.772 3.766 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC3(CCC3)C2)c1 302239404 ARQLPCIRGDCOJM-UHFFFAOYSA-N 280.293 3.957 30 20 CHED C=CCN(C(=O)COc1ccc(C)cc1)c1ccccc1 302704985 XTJDZSOEYFAGRG-UHFFFAOYSA-N 281.355 3.593 30 20 CHED CCc1ccc(OCCO[C@H](C)C#N)c(C(C)(C)C)c1 312331230 JBQPHLMKCWAYOW-CYBMUJFWSA-N 275.392 3.854 30 20 CHED N#CCc1cccc(NC2CCN(c3ccccc3)CC2)c1 313421924 DBXHPLCDNLATGN-UHFFFAOYSA-N 291.398 3.834 30 20 CHED CC1CCC(C)(N/C(O)=N/[C@H]2CCOC3(CCC3)C2)CC1 330236869 UPCRMVYVXYPKGK-BBBYJDLNSA-N 294.439 3.561 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC(C3CCCCC3)C2)c1 333659556 LYISXRHAKDMVPJ-UHFFFAOYSA-N 297.402 3.911 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2C)c(C(C)C)n1 334563959 RJUDVEQGLVBZJU-UHFFFAOYSA-N 293.370 3.946 30 20 CHED Cc1cc([C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)on1 335340692 HVKCTTBQAYSINE-INIZCTEOSA-N 281.359 3.500 30 20 CHED N#CC1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 335736978 HBQAUKWNYKYKTA-UHFFFAOYSA-N 284.334 3.821 30 20 CHED N#Cc1cc(NC(=O)c2cccnc2C2CC2)ccc1Cl 335985849 NDSKQSFMZWOAPF-UHFFFAOYSA-N 297.745 3.736 30 20 CHED Cc1cccc(CSc2ccc(C#N)cc2F)n1 336373964 WTVOYHYZUCZKLN-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CCCC(F)(F)C1 337025727 ZTHGZCJLVZPOSG-LBPRGKRZSA-N 286.366 3.743 30 20 CHED C/C(=C/c1ccccc1C(F)(F)F)CNCCC#N 337502259 MKVRMXUKTBGINA-LUAWRHEFSA-N 268.282 3.612 30 20 CHED Cc1ccc([C@H]2OCCC[C@H]2Nc2cccc(C#N)n2)cc1 339216098 WZSQUPHPNSRMQV-SJLPKXTDSA-N 293.370 3.594 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cccc(C2CC2)c1 340378566 ZPCRMMWBJQKJDL-CYBMUJFWSA-N 254.377 3.908 30 20 CHED N#Cc1cc(NC(=O)C[C@H]2C[C@H]2c2ccccc2)ccc1F 340743789 NYIWFKWYKQVIOF-CJNGLKHVSA-N 294.329 3.830 30 20 CHED CC(C)Cn1ncc(NCc2ccccc2C#N)c1C1CC1 342272411 DZPOUYJFMIHKOI-UHFFFAOYSA-N 294.402 3.900 30 20 CHED C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)c(F)c1 344101463 HRFXGZHJDYGAMP-IUCAKERBSA-N 274.261 3.689 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@H]1CC[C@H](C)C1 345489840 RSAFPICGVXNKTO-HOCLYGCPSA-N 278.440 3.991 30 20 CHED Cc1oc(C#N)cc1-c1nc(CCCc2ccccc2)no1 345874064 YNFPGKMJNZIVER-UHFFFAOYSA-N 293.326 3.685 30 20 CHED CC(C)Sc1c(Cl)cccc1NC(=O)[C@@H](C)C#N 346478010 VQARCINUCUPVFO-VIFPVBQESA-N 282.796 3.939 30 20 CHED CC(C)N(Cc1ccc(Br)cc1C#N)C1CC1 346841083 UBFIUYUJPDCGFA-UHFFFAOYSA-N 293.208 3.694 30 20 CHED Cc1ccc(C#N)c(NCC(C)(C)Oc2ccccc2)n1 346849083 JZTMTPRQGGWDFA-UHFFFAOYSA-N 281.359 3.531 30 20 CHED CCC[C@H](NCC(C)(C)CCC#N)c1cccnc1 348207233 NZPVEFBWXOOQLH-HNNXBMFYSA-N 259.397 3.842 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCO[C@H](C)CC(C)C 348540128 DHZUXVPSQXEVOJ-OAHLLOKOSA-N 296.455 3.759 30 20 CHED CC(C)COc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 349823526 USQANPYYZFHADB-HOCLYGCPSA-N 272.392 3.503 30 20 CHED C[C@H]1CCC[C@H]1Nc1c(C#N)cnc2c(F)cc(F)cc12 352323835 DCQOMACMTHQMGX-LKFCYVNXSA-N 287.313 3.985 30 20 CHED C=C(C)CCN1CC[C@@H](C(=O)OCC)c2ccccc21 352403052 SCSOQIAREUPCIJ-OAHLLOKOSA-N 273.376 3.510 30 20 CHED C=CCN(CCc1ccco1)Cc1csc(CCC)n1 352721465 SDTXNRIUUBEYTR-UHFFFAOYSA-N 290.432 3.919 30 20 CHED Cc1c(C#N)cccc1NCc1cccc(-n2cccn2)c1 354748314 KHKHIPOLZXNWLD-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1cc(C#N)ccc1NC1CC1 355628142 MLINWMPSMUDSIU-OCCSQVGLSA-N 297.402 3.897 30 20 CHED C[C@H](CNc1cccnc1C#N)Sc1ccccc1 357523108 GVKMLPMVDBDLMT-GFCCVEGCSA-N 269.373 3.546 30 20 CHED C=CCN(Cc1coc(-c2cccc(F)c2)n1)C1CC1 357552124 KINJLWKELXOTGM-UHFFFAOYSA-N 272.323 3.631 30 20 CHED N#Cc1ncccc1N[C@@H]1C[C@@H]1c1cccc(Cl)c1 357666595 YVUSXCMNZDYQBP-TZMCWYRMSA-N 269.735 3.575 30 20 CHED C=C(CNC(=O)c1ccc2ncccc2c1)c1ccccc1 360206974 DKMKLJSLOKKXIX-UHFFFAOYSA-N 288.350 3.678 30 20 CHED COCCCCCN[C@@H]1CCCCc2cc(C#N)ccc21 360834931 JKQFJVTYIGAJAP-GOSISDBHSA-N 286.419 3.732 30 20 CHED COc1ccccc1CSc1snc(C)c1C#N 361003162 RWCLBXHTEBWUPZ-UHFFFAOYSA-N 276.386 3.624 30 20 CHED C=CCCC(=O)N1CCC(c2nc3ccccc3o2)CC1 363372371 NOAIVLVVNZJQMX-UHFFFAOYSA-N 284.359 3.500 30 20 CHED Cc1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)oc1C 365677271 AIGNHODFCVACSB-SJORKVTESA-N 295.386 3.563 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1C#N 370005324 HXWZJDIDFOUUCA-INIZCTEOSA-N 296.395 3.906 30 20 CHED N#Cc1cc(F)cc(OC[C@H]2CCCC2(F)F)c1 381696260 OEKPTTHSPFFSPB-SNVBAGLBSA-N 255.239 3.512 30 20 CHED C[C@H](CN=c1c(C#N)c[nH]c2ccccc12)CC(F)(F)F 397003376 UYOIDQYMTPGSJI-JTQLQIEISA-N 293.292 3.529 30 20 CHED C=CCCC[C@@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 398131636 VWNQTOBZLOOHHG-HUUCEWRRSA-N 296.455 3.720 30 20 CHED C=CCCC[C@H](C)NCc1cc(C)nc(Cl)c1 401970984 MGMOYAKXVRXMGO-NSHDSACASA-N 252.789 3.878 30 20 CHED C=CCC[C@@H](NC(=O)N1CC[C@@H](C)C1)c1ccccc1 409503686 RZXANCKLXNSSDP-GDBMZVCRSA-N 272.392 3.745 30 20 CHED C=CC[C@H](CC)NC(=O)CSc1ccc(C)cc1 410137872 YPHYVCRBXMONIR-ZDUSSCGKSA-N 263.406 3.558 30 20 CHED C[C@@H](C(=O)OC(C)(C)C)N(CCCC(C)(C)C#N)C1CC1 411903933 KUDRFTDTZDKURW-ZDUSSCGKSA-N 294.439 3.511 30 20 CHED C=CCn1c(SCCC2(O)CCC2)nc2ccccc21 412978875 OLQAETVIQNGHDL-UHFFFAOYSA-N 288.416 3.620 30 20 CHED N#CC1(CCn2sc3ccccc3c2=O)CCCCC1 413000033 NVLIIHGFWOCRKD-UHFFFAOYSA-N 286.400 3.927 30 20 CHED C[C@@H](NCCCC#N)c1csc(-c2ccccc2)n1 414115324 UXCYTGHVMNPVOX-GFCCVEGCSA-N 271.389 3.764 30 20 CHED COCC1CCC(N[C@H](C)c2ccc(C#N)c(F)c2)CC1 414317876 WRAGFCMZKGBCDT-VEAWUBTESA-N 290.382 3.553 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1nc(C(F)(F)F)cs1 424325495 LDHSXAFTLNGKQP-HRDYMLBCSA-N 289.326 3.505 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1c(C)oc2ccccc12 424772286 DSIQUAZZDMNDHB-UHFFFAOYSA-N 271.360 3.960 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(CC)cc1 429909020 IKALHENRPBLUNL-UHFFFAOYSA-N 259.393 3.810 30 20 CHED C[C@H](c1ncc(C(C)(C)C)o1)N(C)CC(C)(C)C#N 433294769 AUCOXMXETMWXDK-LLVKDONJSA-N 263.385 3.515 30 20 CHED CN(CCCc1ccccc1Cl)CC(C)(C)C#N 433310464 IDDPBLLAYGSXBR-UHFFFAOYSA-N 264.800 3.754 30 20 CHED C[C@@H](C1CC1)N(C(=O)[C@H](C#N)CCc1ccccc1)C1CC1 433313241 PMFPPTLXGCEWSF-YOEHRIQHSA-N 296.414 3.548 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(C(F)(F)F)cc1 435747281 GFSOMXSGVLPXDX-UKRRQHHQSA-N 299.336 3.776 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)C1CCCCC1 436314571 YOZSCTJATXTHIG-IMJJTQAJSA-N 251.414 3.526 30 20 CHED C[C@]1(CN[C@@H]2CC[C@H](C#N)C2)CCCc2ccccc21 442826999 PDEVMNOQSLLGHA-YXJHDRRASA-N 268.404 3.562 30 20 CHED C=CC[C@H]1N(Cc2cn3ccsc3n2)CCCC1(C)C 444781947 BQAZDWPRUATNFE-CQSZACIVSA-N 289.448 3.963 30 20 CHED CCS[C@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 447044584 MXHJGQSIHLBZNQ-KRWDZBQOSA-N 291.435 3.785 30 20 CHED C=CCOc1ccc(CC(=O)N(C2CC2)[C@H](C)C2CC2)cc1 448686086 FQKQAPOZAGYXBE-CQSZACIVSA-N 299.414 3.583 30 20 CHED CCN(Cc1cc(OC)c2ccccc2c1)C[C@@H](C)C#N 449015697 LOXJWONCPFUWPV-AWEZNQCLSA-N 282.387 3.830 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N(C)CC1(C#N)CCC1 450226805 MZYNIHKGLCEVOB-NSHDSACASA-N 264.319 3.651 30 20 CHED N#Cc1c(Cl)cccc1NCCC[C@@H]1CCCCO1 450442831 YWSOSMLSVGBEGF-LBPRGKRZSA-N 278.783 3.973 30 20 CHED N#CC1(COc2ccc(F)cc2Br)CCC1 450665500 DRNPBWZAKBDPFC-UHFFFAOYSA-N 284.128 3.661 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2CCOC3(CCC3)C2)c1 450721022 VHISCXQDFJOGMN-AWEZNQCLSA-N 298.386 3.522 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1C[C@]1(C)c1ccccc1 451243397 BJYUUNAGRHRWFP-LZLYRXPVSA-N 269.388 3.531 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccc(C2CCCCC2)cc1 452165157 WNIAHRPJPGPSNK-LIRRHRJNSA-N 296.414 3.900 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(Cl)c2cccnc12 452776053 KALHIYJRHDKMIV-UHFFFAOYSA-N 288.778 3.830 30 20 CHED Cc1cc(Cl)cc(Br)c1OCCC#N 453019572 AJBKEAFRVYKVGJ-UHFFFAOYSA-N 274.545 3.703 30 20 CHED C=CCCc1noc([C@@H](c2ccccc2)N(CC)CC)n1 453241159 VOFRINSGRJYOGU-MRXNPFEDSA-N 285.391 3.619 30 20 CHED C=CCCCCNC(=O)NC[C@H]1CSc2ccccc21 454821839 VNAICOQXLDWJBM-ZDUSSCGKSA-N 290.432 3.531 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 454892475 UMDVUVWDSXAPGR-KGLIPLIRSA-N 290.382 3.727 30 20 CHED CCC[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C1CCC1 458329246 LLWOITWEWCBABA-CXAGYDPISA-N 284.403 3.747 30 20 CHED CN(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC(C)(C)C1 458577831 QBFONYSUWDYGEY-INIZCTEOSA-N 299.418 3.861 30 20 CHED C=CCC1(NC(=O)NCC2(C(F)F)CC2)CCCCC1 458741661 NABNCEMQPIOKHI-UHFFFAOYSA-N 286.366 3.610 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cccc2c1CCCC2 459226249 DCLBHAUPWLMARA-UHFFFAOYSA-N 285.391 3.627 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccccc1C(C)(F)F 459611800 URWCEGLARQXFAK-UHFFFAOYSA-N 295.333 3.860 30 20 CHED Cc1cc(NC2CCC(C)(C#N)CC2)ccc1CN(C)C 459744886 DULUFODKYBTNNF-UHFFFAOYSA-N 285.435 3.941 30 20 CHED C[C@H](C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C)c1cccc(C#N)c1 462334406 JSLCEEXMDGXBRC-KRXQYRFLSA-N 298.430 3.850 30 20 CHED COc1ccc(CCCN(C)c2ccc(F)cc2C#N)cc1 462775280 FTNNUUHQJKRSCM-UHFFFAOYSA-N 298.361 3.775 30 20 CHED CCC(CC)N(CC)C(=O)[C@H](C)c1cccc(C#N)c1 464566173 LOKGBEMZYHZHEE-CYBMUJFWSA-N 272.392 3.699 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@H](C)C(C)C 469938544 KUQPLUDWOUCCAQ-LBPRGKRZSA-N 273.380 3.611 30 20 CHED N#Cc1ccc(SCCCOc2cccc(C#N)c2)cc1 477527845 MUJUIMQEVGEVND-UHFFFAOYSA-N 294.379 3.991 30 20 CHED C=CCCOCCN[C@@H](c1cc(F)ccc1F)C(C)C 479393250 PCXCZJXSIABBLE-MRXNPFEDSA-N 283.362 3.844 30 20 CHED C=CC1CCN(C(=O)C[C@H]2CCc3ccccc3C2)CC1 480050748 KRTINNWZOSFBHV-INIZCTEOSA-N 283.415 3.606 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC#CC 483472922 KQRRNCZHCZUIMA-UHFFFAOYSA-N 296.823 3.513 30 20 CHED C=C[C@H]1CCCCN1c1ccnc2cc(F)ccc12 486488003 MWQFBIUCFVCJSQ-ZDUSSCGKSA-N 256.324 3.919 30 20 CHED COc1ccc(CN(C)c2ccc(C#N)cc2F)cc1C 487979723 PZBZUBLCDNHFKA-UHFFFAOYSA-N 284.334 3.651 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1ccc(OC(F)F)cc1 488646155 WDRZWUFRTQXXTR-NWDGAFQWSA-N 282.334 3.831 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1C 488881372 SRERSYPUNDWSRA-GFCCVEGCSA-N 263.768 3.829 30 20 CHED C=CCC[C@H](C(=O)NCCC(F)(F)F)c1ccccc1 489077152 STJSKVVPNCYGGE-ZDUSSCGKSA-N 285.309 3.805 30 20 CHED CCCN(CC#N)C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 489940780 SUJHATGAWYOVPX-HUUCEWRRSA-N 284.403 3.738 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@@H](C)C(C)C 490299435 LLRVBUWWGWLZJA-CQSZACIVSA-N 263.381 3.519 30 20 CHED COc1cc(C#N)ccc1COc1cccc(C)c1F 502424172 HBUVEEIVIVJLDU-UHFFFAOYSA-N 271.291 3.593 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 504676343 HPQILHJFYVIKPC-YYESSZKYSA-N 295.386 3.504 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(C#N)cc1 505363564 DDIHWONQGWIHEJ-XJIUQZFPSA-N 299.418 3.743 30 20 CHED N#Cc1ccc(NCCOc2cccc(Cl)c2)c(F)c1 506810048 XZQBOWHTHQABNS-UHFFFAOYSA-N 290.725 3.842 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2ccc(C#N)cc2F)C1 507020908 HAFGCGKCBRYOJY-OAHLLOKOSA-N 280.346 4.000 30 20 CHED C=C(C)CCc1noc(C/C=C/c2ccccc2F)n1 508684678 CCZNKNQKVYJDFJ-FNORWQNLSA-N 272.323 3.973 30 20 CHED N#Cc1ccccc1CN[C@@H]1CCC[C@H]1c1ccccc1 513084152 SYJLDCHPQGRHMW-RBUKOAKNSA-N 276.383 3.984 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)CC1 523707535 ILJXOMKCNPDMKR-GOSISDBHSA-N 298.430 3.506 30 20 CHED Cc1cccc(OCc2cn3ccccc3c2C#N)c1 530633391 BBDCUKTWLBITDZ-UHFFFAOYSA-N 262.312 3.698 30 20 CHED Cn1ccc2c(NCCCC(C)(C)C#N)cccc21 532413755 FHMQFIMQECFYCS-UHFFFAOYSA-N 255.365 3.920 30 20 CHED CC1(C)CCC(CC(=O)Nc2cc(CC#N)ccn2)CC1 532784809 HPLOUNOWYUAZHV-UHFFFAOYSA-N 285.391 3.693 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N(C)c1ccccc1C#N 533113988 CCXPORDQBIFWON-MRXNPFEDSA-N 292.382 3.790 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)cc1)OCC 535126804 KPOROMNXOMPNCE-CYBMUJFWSA-N 267.756 3.650 30 20 CHED CC1(CNC(=O)c2cccc(CC#N)c2)CCCCCC1 537339155 PYHXQXXFOPJPBU-UHFFFAOYSA-N 284.403 3.843 30 20 CHED COc1ccc(C[C@H](C)CNc2nccc(C)c2C#N)cc1 541277314 GZKVVMOUNOXUDC-ZDUSSCGKSA-N 295.386 3.561 30 20 CHED Cc1ccnc(N2CC[C@H](c3ccccc3)[C@H](C)C2)c1C#N 541279014 MZAUCNQHIVKVPT-WBVHZDCISA-N 291.398 3.892 30 20 CHED CN(CC#Cc1ccc(Cl)cc1)CCc1ccccc1O 543246660 FCDBEFDUXKESTD-UHFFFAOYSA-N 299.801 3.572 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2coc3ccccc23)C1 552200286 KVCFSPNLSCVGEB-SCLBCKFNSA-N 296.370 3.564 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C#N)s2)C1 553675344 XINQILGJLOOHIS-IUODEOHRSA-N 296.395 3.843 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 557020807 SMGUOCJTUIWFDL-HIFRSBDPSA-N 299.418 3.549 30 20 CHED CC(C)(C)CN(CCC#N)c1nc(C2CCCC2)ns1 568252385 QMCLMSLCZGPJFH-UHFFFAOYSA-N 292.452 3.962 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@H](F)C2)cc1OC 569120571 ZSCRBPHSPHWHCQ-LSDHHAIUSA-N 293.382 3.630 30 20 CHED N#Cc1cc(N2CCC(CCc3ccccc3)CC2)ccn1 576722172 OVKRROXJFPFRPA-UHFFFAOYSA-N 291.398 3.802 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1NCc1ccco1 576835857 BLYPJPUTGLWNTN-AWEZNQCLSA-N 298.386 3.976 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2cccc(C#N)c2C)CC1 578133193 DLMHQGLUWPIVPJ-CQSZACIVSA-N 268.360 3.942 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(F)c(C)c2)no1 580978246 TVHPVCXRJLQPEN-UHFFFAOYSA-N 283.306 3.839 30 20 CHED N#CCCC1CCN(c2nnc(-c3ccccc3)s2)CC1 583140896 DHIAJRGQTFFRRS-UHFFFAOYSA-N 298.415 3.725 30 20 CHED CCN(C(=O)CCCCCC#N)[C@@H](C)c1ccc(C#N)cc1 588544092 YWZYOFIRUJANND-HNNXBMFYSA-N 297.402 3.942 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C1CCCCC1 593934896 RKEOEOOBUVXANZ-AWEZNQCLSA-N 284.403 3.528 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1sc2cccc(F)c2c1C 594097445 KYZHXHVKCLVUFQ-JTQLQIEISA-N 290.363 3.723 30 20 CHED C[C@H](C#N)N(C/C=C/c1ccc(Cl)cc1)C1CC1 595710002 LMLSCMVDNJNGSV-QAVQXKDTSA-N 260.768 3.730 30 20 CHED CCCOc1ccc(CNc2nc(C#N)ccc2C)cc1 596083353 SMSLSINBIVANLP-UHFFFAOYSA-N 281.359 3.663 30 20 CHED Cc1cnc([C@H](C)SCCc2ccc(C#N)cc2)o1 596383354 CXKRQQWCAOYUPR-LBPRGKRZSA-N 272.373 3.892 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2Cl)C1 596724251 SZEBRPLJWKGSRX-JTQLQIEISA-N 295.745 3.637 30 20 CHED C[C@@H](Cc1ccsc1)NC(=O)CC1(C#N)CCCCC1 596890404 UUAPRGQFJSZUPI-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED CCc1ccc([C@H](C)C(=O)N2CCC[C@@H](CC#N)C2)cc1 597913200 NPTURUYQORIWRN-HOCLYGCPSA-N 284.403 3.505 30 20 CHED Cc1cc2occ(C(=O)N(C3CC3)[C@H](C)C#N)c2cc1C 598137692 MLIISNVXELKRED-GFCCVEGCSA-N 282.343 3.566 30 20 CHED CC(C)c1cccc(CNC(=O)c2ccccc2CC#N)c1 601461406 CXJOQGIVDGYHSW-UHFFFAOYSA-N 292.382 3.806 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1CC12CCCC2 602386564 LFFHLBRIXDRBJJ-CQSZACIVSA-N 286.350 3.571 30 20 CHED N#Cc1cccc(CN[C@H]2CCC[C@H](c3ccccc3)C2)n1 602636714 ZLVLOJRMSVDPRM-IRXDYDNUSA-N 291.398 3.769 30 20 CHED CC#CCN(Cc1cccs1)Cc1cccs1 607725654 HHEGWMSAGZMBDL-UHFFFAOYSA-N 261.415 3.835 30 20 CHED C[C@@H](NCc1csc(C2CC2)n1)c1cccc(C#N)c1 610344827 IUVHMJPQEHPDOZ-LLVKDONJSA-N 283.400 3.743 30 20 CHED CSc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610364231 NNVPHDAVZFIMMA-LBPRGKRZSA-N 296.395 3.771 30 20 CHED C[C@@H](Nc1ncc(Cl)cc1F)c1cccc(C#N)c1 610569615 ZTVHFEOVZZQSAO-SECBINFHSA-N 275.714 3.919 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C#N)cc1 611553990 AOIAGORDCGZSBV-BXUZGUMPSA-N 282.309 3.721 30 20 CHED C=CCC1(NC(=O)c2cc(C)ccc2F)CCCC1 619104504 NNZSREXFLUAJOZ-UHFFFAOYSA-N 261.340 3.753 30 20 CHED C=CCC1(NC(=O)C(=O)c2ccc(Cl)s2)CCCC1 619111320 UKRXKOMDIMROMS-UHFFFAOYSA-N 297.807 3.589 30 20 CHED C=CCC1(NC(=O)c2ccc(C(F)F)nc2)CCCC1 619112224 XHPSMAQJHYEFFQ-UHFFFAOYSA-N 280.318 3.638 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCCc2cc(C#N)ccc21 619611608 RGDOHTZZASCAQM-WBVHZDCISA-N 254.377 3.880 30 20 CHED CC[C@H](CC(=O)NCc1ccc(C#N)c(Cl)c1)C(C)C 619765967 LYYHVQTVACCFFM-CYBMUJFWSA-N 292.810 3.900 30 20 CHED C=CCC(C)(C)C(=O)N1CC(C)(C)c2ccccc21 645768458 KCNUPORGPWIBKY-UHFFFAOYSA-N 257.377 3.913 30 20 CHED C=CCCCC[C@H](C)NCCc1ccc(O)c(OC)c1 648455626 FJGYYDUQTDJHNE-AWEZNQCLSA-N 277.408 3.668 30 20 CHED C=CCC1(C(=O)NCc2cc(C)ccc2OC)CCCC1 648722576 UNDYLBKYYODTFA-UHFFFAOYSA-N 287.403 3.756 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccnc(N2CCCC2)c1 657831917 GOOPCNGFAMUHLR-MSOLQXFVSA-N 299.462 3.906 30 20 CHED C=CCC1(NCC(=O)Nc2ccccc2CC)CCCC1 661847760 BKXNSGQCNCPJKZ-UHFFFAOYSA-N 286.419 3.666 30 20 CHED C=CCOc1ccc(OCc2ccc(OCC)cn2)cc1 674864781 XIRNSIWRYUVRPY-UHFFFAOYSA-N 285.343 3.624 30 20 CHED N#Cc1cccnc1NCc1ccc(Cl)c(Cl)c1 689254291 IFIRHZGCHKNKCZ-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C#CC(C)(C)NC(=O)c1cc(C(F)(F)F)ccc1Cl 695016421 JJIZVADWVAMDFO-UHFFFAOYSA-N 289.684 3.500 30 20 CHED CC#CCCNC(=O)/C=C\c1cc(Cl)cc(Cl)c1 700592869 GCDHAQSQYJAFRH-WAYWQWQTSA-N 282.170 3.536 30 20 CHED C#C[C@H](CC)NC(=O)CCCSc1ccc(Cl)cc1 700597211 UZSAKUSAWBHJLO-CYBMUJFWSA-N 295.835 3.740 30 20 CHED N#Cc1ccccc1COc1cc(F)cc(Cl)c1 703710542 UJYWCPWPXDHWOL-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC(=NNc1ncnc2sccc12)c1ccc(F)cc1 725818748 WBOHWZXVCCHTDA-UHFFFAOYSA-N 286.335 3.667 30 20 CHED C=CCCOC(=O)CCC(=O)c1ccc2ccccc2c1 729073349 SDMKKSSOVXLFPC-UHFFFAOYSA-N 282.339 3.922 30 20 CHED CCc1ccc(C=NNCCCc2ccccc2)cc1 729145976 IVZYRYVGOXVLBV-UHFFFAOYSA-N 266.388 3.805 30 20 CHED CC(C)CCCOC(=O)c1cc2ccccc2n1CC#N 729891251 QZTOHNCIWFLJHC-UHFFFAOYSA-N 284.359 3.758 30 20 CHED CCCCCCCn1cnc2c(C)cccc2c1=O 733753092 FYDJKGZRYMPOOI-UHFFFAOYSA-N 258.365 3.675 30 20 CHED C#CCOc1ccc(CNc2cccc(CC)c2)cc1 734157107 JPPBTQUVWHSHDF-UHFFFAOYSA-N 265.356 3.873 30 20 CHED C=CC[C@H](NC(=O)/C=C\c1cccc(F)c1)c1ccncc1 734233978 DHSRENQDWSBFKY-QWPQOLDESA-N 296.345 3.668 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(C)c(F)c1)c1ccncc1 734237953 XFNGQVDFFNWAMV-MRXNPFEDSA-N 284.334 3.576 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)c1C 734305612 XRWOVVUROWMQSK-SOFGYWHQSA-N 297.310 3.813 30 20 CHED Fc1ccccc1-c1ccc(C=NNc2cccnn2)s1 735974719 MPPNJYDZOCCBIT-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C=C(Cl)CN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 736945238 FSXMXKURIKJOJZ-AAEUAGOBSA-N 253.748 3.756 30 20 CHED Cc1ccc(C[C@@H](C)/N=C/c2cccc(O)c2O)s1 737441203 YZNIPIKMJMSFBW-VCBXAZPMSA-N 275.373 3.518 30 20 CHED CCN(CC)c1ccc(C=NNC2CCCC2)cc1F 739410351 VIDSMHHAHZSVGQ-UHFFFAOYSA-N 277.387 3.538 30 20 CHED Oc1cccc(/C=N/Cc2ccccc2OCC2CC2)c1O 739425630 GQMZVRLTRNQRDF-YBFXNURJSA-N 297.354 3.506 30 20 CHED COc1ccc(/C=C2/CCc3c(O)cccc3C2=O)cc1F 742434476 HZUHOSDZTLXLGN-XFXZXTDPSA-N 298.313 3.752 30 20 CHED CCO[C@H]1CC(=NNc2ccc(F)cc2)C12CCCC2 743420445 GJUIEHPHBAAZOL-HNNXBMFYSA-N 276.355 3.963 30 20 CHED Fc1ccc(/C=C/C=NNc2nncc3ccccc23)cc1 747744671 QAUUVFALHAYIFG-KMMPQYOHSA-N 292.317 3.880 30 20 CHED CCCCCCCCC(=O)Nc1ccn(CC(F)F)n1 748760343 NFMFZLNYAHFQJY-UHFFFAOYSA-N 287.354 3.837 30 20 CHED Cc1cccc(/C=C2/Oc3ccc(F)cc3C2=O)c1 749747465 ZJSXWSWJTGPAHC-OVCLIPMQSA-N 254.260 3.750 30 20 CHED N#C[C@@H](OC(=O)CCc1ccc(-c2ccccc2)o1)C1CC1 751176563 UXUILGZTMYONRC-QGZVFWFLSA-N 295.338 3.725 30 20 CHED CC[C@H](C#N)OC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 753552236 AQUJBRPQWFTTCT-MELADBBJSA-N 271.360 3.821 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1)C1CC1 753785153 KTNPLMOSQJKFMC-IAGOWNOFSA-N 296.414 3.520 30 20 CHED C/C(=C\C(=O)N[C@@H](C#N)C(C)(C)C)c1cccc(Cl)c1 754392454 RQUOFIWAUSAKTH-ZHZWZMEUSA-N 290.794 3.798 30 20 CHED CSc1ccc(CN(CCC#N)CC(C)C)cc1 755669777 LIJKVHUMSIOZFJ-UHFFFAOYSA-N 262.422 3.780 30 20 CHED C[C@H](N[C@@H](C)c1cc(F)ccc1O)c1cccc(C#N)c1 756626318 NRILSFLNNIDFPB-RYUDHWBXSA-N 284.334 3.815 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)/C=C\c1ccccc1C#N 757767178 SEHMWIOCUACHRM-BLIJAFNYSA-N 282.387 3.656 30 20 CHED Cc1ccc(NN=C[C@@H](C)CC2CCCCC2)nn1 758112212 SGEKASWLBDQUEK-LBPRGKRZSA-N 260.385 3.789 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(C(=O)O)cc1 759653442 QKYMBQOWIQJOSN-UHFFFAOYSA-N 286.306 3.668 30 20 CHED FC(F)(F)c1cccnc1CON=Cc1cccs1 762191526 QQQXHZIUJMFACC-UHFFFAOYSA-N 286.278 3.713 30 20 CHED CCc1oc2ccccc2c1C=NOCCCCCCO 762457291 KHZMPELELNJSJX-UHFFFAOYSA-N 289.375 3.898 30 20 CHED C#CCCCON=Cc1cc(Cl)c(OCC)c(OC)c1 766743712 PAOGCFJZYTZVFP-UHFFFAOYSA-N 295.766 3.511 30 20 CHED C#CCCCN(C)Cc1c(Cl)cccc1Cl 766894266 CSOJALKCQKRASV-UHFFFAOYSA-N 256.176 3.839 30 20 CHED C[C@@H]1CC(=NNc2cc(C#N)cc(Cl)n2)C[C@@H](C)C1 768374774 KKJQESVANISLCL-UWVGGRQHSA-N 276.771 3.831 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(F)cc1 768378654 SUHIDHVLVIYHFM-UHFFFAOYSA-N 263.312 3.703 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1csc(C(C)C)n1 768764469 UXSHNSIUYKJPGJ-UHFFFAOYSA-N 289.408 3.509 30 20 CHED N#C[C@H](OC(=O)[C@H](F)c1ccccc1)C1CCCCC1 769171986 RCTKFKDCVXRQGE-LSDHHAIUSA-N 275.323 3.713 30 20 CHED CCn1nc(/C=C\C(=O)c2sccc2O)c2ccccc21 773144065 VSKAUEQHIIGLOE-FPLPWBNLSA-N 298.367 3.719 30 20 CHED CC(C)c1cccc2c1OCC/C(=C\c1ccn(C)n1)C2=O 773153333 KHEPIHIBHXHWQU-ACCUITESSA-N 296.370 3.592 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1nc2ccccc2s1 773303228 KFEPYGLDYJTDAO-GFCCVEGCSA-N 286.400 3.667 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CCCC1 773694695 YIJLLGSHAMBBPO-HNNXBMFYSA-N 269.429 3.501 30 20 CHED CC(C)(CCCc1ccccc1)C(=O)OCC1(C#N)CC1 775857130 SVYFLRFPFSQYRY-UHFFFAOYSA-N 285.387 3.882 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(C)ccc1OC 776192110 MPABGENXCUFOSS-SREVYHEPSA-N 281.355 3.857 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)Cc1ccccc1CC#N 776895855 XZJKKEJZJPBCIU-FUHWJXTLSA-N 298.430 3.770 30 20 CHED CC(=NNc1ncnc2ccsc12)C1CCSCC1 777442528 DXEVMTDXXTWZRO-UHFFFAOYSA-N 292.433 3.622 30 20 CHED Cc1ccc(OC(F)F)c(C=NOCCC(F)(F)F)c1 777458723 BFCCTSSJIDZASK-UHFFFAOYSA-N 297.223 3.899 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CCc2ccc(C(C)C)cc21 777496773 UKBPSQDZBFBCLU-MRXNPFEDSA-N 288.460 3.838 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2ccc(N(C)C)cc2)cc1 777602703 SXZVAWJQTVISLR-OAHLLOKOSA-N 294.398 3.938 30 20 CHED CSc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1 780188806 PPQYQCCCARMPAL-JYRVWZFOSA-N 282.364 3.937 30 20 CHED C#CCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1O 780419317 HSDZNNVMKHYBKT-UHFFFAOYSA-N 299.292 3.933 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc(F)c(C#N)c1Cl 782298847 CXKMDLBTJICVIG-CYBMUJFWSA-N 293.773 3.853 30 20 CHED Cc1cn2c(C=NN[C@@H]3CCCC3(C)C)c(C)nc2s1 782299841 JKWQAOKXBMBVKD-CYBMUJFWSA-N 290.436 3.515 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1F 782327823 HNRSPNHAWMJSHI-VURMDHGXSA-N 295.313 3.992 30 20 CHED C=CCC1(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)CCC1 784927431 NWNTWMSSFVLRGJ-UHFFFAOYSA-N 293.294 3.524 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1c(C)cccc1C 787290501 NHMUUJOXWMVUMK-OAHLLOKOSA-N 272.392 3.554 30 20 CHED CCCCCCCCCCNC(=O)c1snnc1C 787999405 JOTLKENXEHYNMK-UHFFFAOYSA-N 283.441 3.717 30 20 CHED COc1ccc(NN=C(C)C2CCC(F)(F)CC2)nc1 788725753 KWVKSQFQGVGNSY-UHFFFAOYSA-N 283.322 3.704 30 20 CHED CC(=NNc1cc(C)c2ccc(C)c(C)c2n1)c1ncc[nH]1 790150087 UNGVGLSCURMDJE-UHFFFAOYSA-N 293.374 3.719 30 20 CHED Oc1cccc(C=NNCc2cccc(Cl)c2Cl)c1 790183001 IZSKPPXBDWKTDL-UHFFFAOYSA-N 295.169 3.823 30 20 CHED CCCCCCCCCCN1CCn2cnnc2[C@H]1C 792378792 WZZBKMGGRVLIKV-OAHLLOKOSA-N 278.444 3.795 30 20 CHED CC(C)Oc1ccc(N[C@@H](C)[C@@H]2CCCOC2)cc1C#N 793063139 MPPUQHWNHHQEGI-UONOGXRCSA-N 288.391 3.572 30 20 CHED CCc1nc(C)c(C(C)=NN[C@H](C)C(C)(C)C)s1 793116009 QYSOHVGZFIZEBO-LLVKDONJSA-N 267.442 3.762 30 20 CHED CC[C@H](C)CON=Cc1cnc(C2CCC2)s1 793164033 QKTGAHWHCGQRCC-JTQLQIEISA-N 252.383 3.807 30 20 CHED CC(C)C[C@H]1CCCC(=NNCCOC(C)C)C1 794526634 NIFKBGVHTBIGGS-CQSZACIVSA-N 254.418 3.593 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1cc(C(C)C)oc1C 794830377 SSDHSROTABXTEU-UHFFFAOYSA-N 299.326 3.811 30 20 CHED Brc1cscc1C=NOC1CCCC1 794923262 YDMHCPDCOIHAOK-UHFFFAOYSA-N 274.183 3.804 30 20 CHED Cc1ncc(CON=Cc2ccc(C(C)(C)C)cc2)cn1 795198175 YDKHEBCYBYNJNW-UHFFFAOYSA-N 283.375 3.633 30 20 CHED CC[C@@H](C)CCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 796739712 SWSRJTDSPAAJOE-VXGBXAGGSA-N 269.348 3.565 30 20 CHED C#CCCOc1ccc(CNc2ncccc2Cl)cc1 798188799 JHIHKVSZZJDXCE-UHFFFAOYSA-N 286.762 3.749 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1c(C)cccc1C 798374927 DILBRRIOOHILHO-CYBMUJFWSA-N 262.422 3.945 30 20 CHED C#C[C@@H](NC(=O)C1(c2cccc(C)c2)CCCC1)C(C)C 799046221 FFVDFVBTJUDTAE-QGZVFWFLSA-N 283.415 3.581 30 20 CHED Cc1cc(C(=O)/C=C/c2ccn(-c3ccccc3)n2)oc1C 799897598 QUDIASYOYZCHHR-CMDGGOBGSA-N 292.338 3.978 30 20 CHED C[C@@H](C#N)OCCN[C@@H](c1ccccc1F)C1CCCC1 801938732 IOWHBVFAVOXFRL-SUMWQHHRSA-N 290.382 3.575 30 20 CHED CC[C@H](SCCO[C@@H](C)C#N)c1ccc(F)cc1 802752417 QEWMIKQCAKKXKX-FZMZJTMJSA-N 267.369 3.939 30 20 CHED C[C@@H](C#N)OCCS[C@@H]1CCc2c(Cl)cccc21 802753207 XMEIPRRTHZDQOQ-IINYFYTJSA-N 281.808 3.989 30 20 CHED CC(C)SCCOC(=O)C[C@H](CC#N)c1ccccc1 803513363 SRTDCFHKZPNINY-HNNXBMFYSA-N 291.416 3.759 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@H](OCC(C)C)C1 806004056 ZUYJSVBXCARBMZ-INIZCTEOSA-N 296.455 3.579 30 20 CHED CCCCCCCC(=O)N[C@H](C1CC1)C(F)(F)F 807906433 AACLQIHXZIOKNU-GFCCVEGCSA-N 265.319 3.804 30 20 CHED COc1ccc(/C=C2/C(=O)c3ccccc3[C@@H]2C)cc1O 809155957 IBTSOMRDLIZJJA-ZRRZQRFHSA-N 280.323 3.784 30 20 CHED CON(CCC(C)(C)C#N)C[C@@H]1CCC[C@@H](C)C1 810140488 VNVQFWZVXDLUCC-ZIAGYGMSSA-N 252.402 3.616 30 20 CHED C=CCCCCCCCN[C@@H](C)c1cn(C)nc1C 810243598 QXIYDTKIXNZMCF-AWEZNQCLSA-N 263.429 3.906 30 20 CHED C#Cc1ccccc1Cc1nc(-c2cc(C)oc2C)no1 810310942 IFLKRVDKSNOUFR-UHFFFAOYSA-N 278.311 3.519 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NOC/C=C/Cl 811672085 PKAMPDIRRJZPKV-IKJXDERQSA-N 274.751 3.758 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1cc(F)ccc1O 812243061 BOPXKSUBNDBETL-GORDUTHDSA-N 290.265 3.575 30 20 CHED Fc1ccc(C=NNc2ccccc2F)cc1F 812459118 RTKRUJKDWQDWOC-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CCOc1cc(C=NOCCC2CC2)cc(Cl)c1OC 814247121 SAVHMGQZIXWPCC-UHFFFAOYSA-N 297.782 3.898 30 20 CHED CCc1nocc1C=NNc1cccc(C(F)(F)F)c1 814690228 ZCYKCBDEVYHRDH-UHFFFAOYSA-N 283.253 3.702 30 20 CHED Cc1cc(Cl)cc2c1OCC2=NNc1cccc(C#N)c1 814786551 MWTQWDAYSSJFNU-UHFFFAOYSA-N 297.745 3.729 30 20 CHED COCC(=NNc1ccccc1F)c1ccc(Cl)cc1 814790355 SCAHZGHQNHURSJ-UHFFFAOYSA-N 292.741 3.942 30 20 CHED CC(C)CCC=NNc1ncccc1C(F)(F)F 814801368 HZTPOQJMENWOIM-UHFFFAOYSA-N 259.275 3.934 30 20 CHED COCCC(C)=NNc1c(Cl)cc(F)cc1Cl 814890991 JUANQEVVYIGZNX-UHFFFAOYSA-N 279.142 3.957 30 20 CHED CCOC1CC(=NNc2nc3ccccc3cc2C)C1 814894001 AJIGWMHNRQPVMJ-UHFFFAOYSA-N 269.348 3.510 30 20 CHED COCC(=NOCCC(F)(F)F)c1cccc(Cl)c1 814909654 JKVSEIJMRFTHMV-UHFFFAOYSA-N 295.688 3.660 30 20 CHED C=CCC(F)(F)C(=O)N(CC)c1cc(C)cc(C)c1 814971654 LSVFHUNXMKGUBJ-UHFFFAOYSA-N 267.319 3.868 30 20 CHED N#CCC[C@@H](C#N)CNC(C1CCCC1)C1CCCC1 819079661 BGHADORZUJNBBK-AWEZNQCLSA-N 273.424 3.769 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 819529545 OYGJQXQBNHRYIN-ZWNOBZJWSA-N 290.234 3.631 30 20 CHED CCN(CC(C)(C)C)c1snc(Cl)c1C#N 820586294 IFMLBJLAYXEIKP-UHFFFAOYSA-N 257.790 3.541 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CC[C@@H](O)c1ccccc1 823617699 KUVSTKNAZBXSFY-DNVCBOLYSA-N 294.398 3.675 30 20 CHED CC[C@H](C)CC=NNc1oc(C(C)(C)C)nc1C#N 834948451 BWFHMGNZLWYTBP-JTQLQIEISA-N 262.357 3.678 30 20 CHED CO[C@@H]1CC(=NNc2cccc3cnccc23)C12CCC2 834953607 KQWWGMPEOIIZJX-MRXNPFEDSA-N 281.359 3.592 30 20 CHED CC(C)c1cnc(C=NNCc2ccccc2F)s1 835011563 NSHMDZZQGRVHCX-UHFFFAOYSA-N 277.368 3.529 30 20 CHED C=CCC1(C(=O)OC[C@](C)(C=C)CCOC)CCCC1 835338518 VJUUERNREJJRHD-MRXNPFEDSA-N 280.408 3.895 30 20 CHED CCCCCCCCC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1O2 837883106 DDHVAPIKBPNMBB-BZUAXINKSA-N 281.440 3.811 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1cc(C)ccc1Br 839433727 MOWPWYQARGDSCY-ZDUSSCGKSA-N 296.164 3.603 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)c1csnn1 839883684 HZSMYYPOXFSKPE-GFCCVEGCSA-N 283.441 3.856 30 20 CHED C#C[C@H](OC(=O)c1cc(C)n([C@H](C)CC)n1)c1ccccc1 842366003 WSTDNYGYWXLLOG-DYVFJYSZSA-N 296.370 3.694 30 20 CHED C[C@@H]1Cc2cc(NCc3ccc(C#N)s3)ccc2O1 846748601 CAWFGMTWDWMJPF-SNVBAGLBSA-N 270.357 3.555 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccnn2CC2CC2)c1 849245128 DQMRHXUUCGJGAH-HJWRWDBZSA-N 296.370 3.588 30 20 CHED C=CCCSCCNC(=S)Nc1cc(C)cc(C)c1 849278373 NSZOGUNHQDARHQ-UHFFFAOYSA-N 294.489 3.899 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC1SCCS1 850562811 ZTNFCZNDYHGLLP-RYUDHWBXSA-N 257.468 3.517 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cnc(C2CC2)s1 851210419 QGWWLBKCHPYNRH-SECBINFHSA-N 278.377 3.506 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@H](C)[C@@H](CO)C1 857364840 MCCOVSMKRCOMNG-DLBZAZTESA-N 297.483 3.994 30 20 CHED C/C=C/C=C\C(=O)N(c1ccc(C#N)cc1)C1CCC1 857676659 GJTAKAJAORKLIL-HOJFPOIOSA-N 266.344 3.576 30 20 CHED CCCCCCCNC(=O)NCc1nc(C2CC2)cs1 858111274 ZGOZCWYYZPAIGW-UHFFFAOYSA-N 295.452 3.790 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccc(Cl)cc32)C1 858582983 VPHBGCJMOLMWBG-DJSGYFEHSA-N 274.795 3.999 30 20 CHED CCCOc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1OC 858604479 KNVAIAHFVWSTQN-OLZOCXBDSA-N 274.364 3.588 30 20 CHED C#CCCOC(=O)N[C@@H](CC)c1cccc(Cl)c1 858901729 JIGKYUFCJRVPFT-ZDUSSCGKSA-N 265.740 3.541 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@@H](C)c2ccco2)c1 859181011 UZLRMRDOYLSADE-CQSZACIVSA-N 281.355 3.808 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 859858496 CVUPBHIZZIPBFV-IXDOHACOSA-N 297.398 3.836 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)OC1(CC#N)CCC1 860745958 XYWGHBOWBREGRU-CQSZACIVSA-N 271.360 3.553 30 20 CHED CCc1nocc1/C=C1\CCc2c(F)cccc2C1=O 865227748 WDSOSAQQHMRUBI-CSKARUKUSA-N 271.291 3.589 30 20 CHED CC(=NNc1nc2c(C)cccc2s1)[C@@H]1CCCOC1 872419625 PFPBPXLPRVEWOK-GFCCVEGCSA-N 289.404 3.819 30 20 CHED C#CCCCCCCNCc1noc2ccccc12 877621349 QXBGRNUFSSFSRN-UHFFFAOYSA-N 256.349 3.501 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2nc(C)oc2c1 878114171 FISPOBLSQHEKAZ-UHFFFAOYSA-N 258.321 3.677 30 20 CHED C=CCN(C(=O)Nc1ccc(C(F)(F)F)cn1)C(C)C 879153476 HFAHLJPCJCHQHG-UHFFFAOYSA-N 287.285 3.529 30 20 CHED CCC(CC)N(CC)C(=O)Nc1ccc(OC)c(C#N)c1 880880744 WMGDWPHAUYIDPJ-UHFFFAOYSA-N 289.379 3.609 30 20 CHED C=CCN(C(=O)[C@@H]1CCOC2(CCC2)C1)c1ccccc1 887912658 JFSUFUYLLMPZBL-OAHLLOKOSA-N 285.387 3.555 30 20 CHED C=C1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 891527406 IDCWHIZFDWLNFD-LBPRGKRZSA-N 278.783 3.763 30 20 CHED C=C1CC(c2noc(-c3cccnc3OCC(C)C)n2)C1 896877949 WRUQLDRLQRYBQY-UHFFFAOYSA-N 285.347 3.600 30 20 CHED C=C1CC(c2noc(COCCCCCC)n2)C1 896882237 RZJCPXGBEFNERN-UHFFFAOYSA-N 250.342 3.600 30 20 CHED CS[C@H]1CCCC(=NNc2ncnc3ccsc23)C1 901209461 ZWBABBUOTFGSKA-JTQLQIEISA-N 292.433 3.765 30 20 CHED Cc1ccc(C(=O)N(O)Cc2ccc(F)cc2)cc1Cl 901375164 DTZCVZRDFMVDKQ-UHFFFAOYSA-N 293.725 3.819 30 20 CHED COc1cc(CNc2cc(C#N)cc(C)n2)ccc1SC 902222473 APWCIOIYBOSRCF-UHFFFAOYSA-N 299.399 3.604 30 20 CHED Cc1cc([C@H](NCC2(C#N)CC2)c2cccnc2)ccc1F 903106792 VKOOANXVLRCYGX-KRWDZBQOSA-N 295.361 3.512 30 20 CHED CCN(C(=O)/C=C\c1ccccc1C#N)c1cccc(C)c1 914472473 RSFQJCHLDWZNTK-QXMHVHEDSA-N 290.366 3.933 30 20 CHED Cc1ccc(C)c(SCC(=O)OCCCCC#N)c1 914616382 DKTURIZHGHVXHO-UHFFFAOYSA-N 277.389 3.633 30 20 CHED CCCCC(C)=NNC(=S)Nc1ccc(C)cc1 915923752 YMIWXVHPTKHDNN-UHFFFAOYSA-N 263.410 3.848 30 20 CHED Fc1ccc2c(c1)C(=NNCc1ccccc1)CCS2 916343764 GDQHQWAIWAMHAF-UHFFFAOYSA-N 286.375 3.815 30 20 CHED CCc1ncc(COc2c(C)cc(Cl)cc2C#N)o1 917859138 OFQYNPUKIDSCAQ-UHFFFAOYSA-N 276.723 3.650 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)c1cccc(C#N)c1 917960219 OXDQMVKEVPIJGP-CQSZACIVSA-N 279.339 3.736 30 20 CHED C=CCCOCC(=O)Oc1ccc(Cl)c2ccccc12 920708372 BEMSPHJFAVEHLU-UHFFFAOYSA-N 290.746 3.991 30 20 CHED CC1(C#N)CCC(NCc2nc3c(s2)CCCC3)CC1 922697957 XUGHQICPLOOKJX-UHFFFAOYSA-N 289.448 3.584 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](c1ccccc1)c1ccccn1 929775113 UDXXEPWKHMURGW-DNVCBOLYSA-N 294.398 3.890 30 20 CHED C=C[C@H](CC)CC(=O)NCc1ncc(-c2ccccc2)o1 930202261 VXCXFWZDYGLBOS-CYBMUJFWSA-N 284.359 3.560 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1cc(C(CC)CC)no1 933511242 MAXVIHCSARQNER-LBPRGKRZSA-N 278.396 3.797 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)CCCC(F)(F)F 935640030 PVVKAHYLBKRYMO-QWRGUYRKSA-N 265.319 3.826 30 20 CHED CCCC(=NNc1ccc(C(C)(C)C)nn1)c1ccccn1 1117703993 NFQOBERYBRGZBN-UHFFFAOYSA-N 297.406 3.785 30 20 CHED Cc1cc(C#N)ccc1N[C@@H](C)c1ncccc1C 1120890188 WFJKFPPRAGAFIS-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)O[C@@H](CC#N)c1ccco1 1123371177 ZLUNIGZTQAPXAE-KOLCDFICSA-N 289.253 3.756 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(F)c1 1129459340 IAVXQKVREBDTGG-FZMZJTMJSA-N 274.339 3.852 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(C#N)c(C)c1 1180018334 NJTDDZLJXFHXSQ-UHFFFAOYSA-N 278.399 3.931 30 20 CHED CCC[C@@H]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 1294687239 NWONVTZKZOBDCS-QZTJIDSGSA-N 298.430 3.798 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1F)C1CCCCCC1 1307096221 VETJSECQNQYCJU-LLVKDONJSA-N 261.344 3.863 30 20 CHED Cc1cc(CNCC(C(C)C)C(C)C)ccc1C#N 1308376382 JEDOTUPBGVPYAL-UHFFFAOYSA-N 258.409 3.885 30 20 CHED CCC1(CC)CCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 1311104566 WSQUCYUZCZJCKC-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=C(CNC(=O)NC[C@H]1CCCC[C@H]1C)c1ccccc1 1311789986 LGYISWHMTXISJV-RHSMWYFYSA-N 286.419 3.825 30 20 CHED C#CC[C@H](NC(=O)N1CC(C)(C)C1(C)C)c1ccccc1 1319515812 QUKUKEWSSDECBP-HNNXBMFYSA-N 284.403 3.581 30 20 CHED Fc1cc(Cl)c(OCC#Cc2ccc(Cl)cc2)cn1 1325846717 CBXHKBZBZVNDKM-UHFFFAOYSA-N 296.128 3.958 30 20 CHED N#CCc1cccc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)n1 1330285562 JIPOVUOVDCZTKY-SAZUREKKSA-N 281.334 3.645 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc2c(Cl)nccc12 1331368761 NFIOHZVXALGONK-OAHLLOKOSA-N 287.750 3.767 30 20 CHED C#C[C@H](CC)NC(=O)c1nc(-c2ccccc2)oc1C(C)C 1338999055 QZHWDPKGZPSMEO-CQSZACIVSA-N 296.370 3.607 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC(F)F)cc1 1339481818 HVDDSUHNOCEEFQ-UHFFFAOYSA-N 255.264 3.583 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCCC[C@H]1CC 1341964691 ARJKPIGQYCGTBX-LLVKDONJSA-N 284.354 3.561 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1CC[C@H](C)[C@H]1C 1343680372 WQECMEWCILXBHE-UONOGXRCSA-N 286.423 3.523 30 20 CHED Cc1nc(C(C)C)oc1C(=O)O[C@@H](CC#N)c1ccco1 1347949577 YYSIJKCAYFODFJ-LBPRGKRZSA-N 288.303 3.511 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@@H](C)c1cccc(O)c1 1349310398 KTPCEDMWOBTWAZ-ZDUSSCGKSA-N 261.365 3.514 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CCSc2ccccc21 1357650435 DOWOCPOETPWPIO-CQSZACIVSA-N 299.351 3.854 30 20 CHED CCCC(CCC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1438139202 YHZNTZAOJXBSPY-UHFFFAOYSA-N 284.363 3.589 30 20 CHED CC[C@@](C)(NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1456451760 ITTZXJDXUMOEOO-GOSISDBHSA-N 296.345 3.753 30 20 CHED CCC(C)(C)c1ccc(CNc2nc(C)cc(C#N)n2)cc1 1458275835 JFVAAYFZKCLEKX-UHFFFAOYSA-N 294.402 3.956 30 20 CHED C[C@H](NCc1cccc(C#N)n1)c1ccc(F)cc1Cl 1474542420 SCVLYSBMSJWJMG-JTQLQIEISA-N 289.741 3.597 30 20 CHED CN(Cc1cc2ccccc2o1)C(=O)c1csc(C#N)c1 1515181765 JQULVSLOPRGKFR-UHFFFAOYSA-N 296.351 3.638 30 20 CHED N#CC[C@H](C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1519829637 SPOIIJPTRQACFS-OWLYRPNTSA-N 296.414 3.626 30 20 CHED COc1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1C#N 1544954972 CEUAZMSESZRCDU-UHFFFAOYSA-N 294.354 3.744 30 20 CHED N#Cc1cnc(Oc2ccc3cnccc3c2)c(Cl)c1 1559283781 YQMWGBKXSIWFOJ-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CCN1CCC(CN(CC)[C@@H](C)c2ccc(C#N)cc2)CC1 1560685719 VVXNGOZGDWJVOK-INIZCTEOSA-N 299.462 3.673 30 20 CHED CCC1(C)CCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 1562938638 GTLHWBOOICKEOB-UHFFFAOYSA-N 285.391 3.911 30 20 CHED C[C@H]1CN(C(=O)[C@@H](CC#N)c2ccccc2)c2ccccc21 1584292346 XNULLNYFMREXPK-YOEHRIQHSA-N 290.366 3.834 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(C(=O)O)c(Cl)c1 1588529993 ONWXFVIRTMSXPD-UHFFFAOYSA-N 282.723 3.546 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cc(C(=O)O)n(C)c2)cc1 1596058247 HMBQWWZHVZZHCG-JXMROGBWSA-N 297.354 3.572 30 20 CHED Cc1cccc(NC(=O)c2cc(F)c(C#N)c(F)c2)c1C 1623660844 OGJOXUFCYPZHEK-UHFFFAOYSA-N 286.281 3.706 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)sc1Cl 1650700892 AFWGSKTWVWYSIW-MVCUBJFGSA-N 293.823 3.905 30 20 CHED Cc1cccc(C)c1CN(CC(C)C)c1ccnc(C#N)n1 1651175049 ZMWPMMYOJNCDAG-UHFFFAOYSA-N 294.402 3.628 30 20 CHED Cc1cc(CN2CCOC3(CCCCCC3)C2)ccc1C#N 1658388939 YDXSEDVLRZNGPF-UHFFFAOYSA-N 298.430 3.792 30 20 CHED N#Cc1cccc(CN2CC[C@H]2c2ccc(F)cc2)c1F 1659357376 QZDKFAAMOUYWAC-INIZCTEOSA-N 284.309 3.783 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccccc1 1679985398 KGJHAPZYKXKFPP-GRDNDAEWSA-N 286.419 3.824 30 20 CHED CC(=NNc1ccccc1C(=O)O)[C@H](C)CC(C)C 1776031921 DSRSQOQSHBEIRV-LLVKDONJSA-N 262.353 3.855 30 20 CHED C[C@@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)[C@H](C)C1 1776062412 SNULRPRISUNBEG-NXEZZACHSA-N 278.327 3.748 30 20 CHED O=C(O)Cc1ccc(NN=C2CCC3(CCC3)CC2)cc1 1776085947 UAIFPZKOQGZJRE-UHFFFAOYSA-N 286.375 3.826 30 20 CHED C=C(C)C[C@H](NCc1scc(Cl)c1Cl)C(=O)O 1776138437 QSEBVEUOSSIWJJ-QMMMGPOBSA-N 294.203 3.564 30 20 CHED C=CCC1(C(=O)O)CCN(CCC2=CCCCC2)CC1 1776160650 OSUCNLGUZOHEEU-UHFFFAOYSA-N 277.408 3.620 30 20 CHED Cc1cccc2c1CC/C(=C/c1csc(C(=O)O)c1)C2=O 1777457193 CXILVUVBZPVACQ-GHXNOFRVSA-N 298.363 3.967 30 20 CHED CC#CCCCC(=O)Nc1ccccc1Br 6262178 FCQXPJUNYUCGDA-UHFFFAOYSA-N 280.165 3.581 30 20 CHED C#CCCCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 179154024 DXOTUDAYYAPLCI-HNNXBMFYSA-N 271.404 3.518 30 20 CHED C[C@@H](C(=O)Oc1ccc(C#N)cc1)c1ccc(Cl)s1 175501153 BQDMFWYYNQAUQF-SECBINFHSA-N 291.759 3.982 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](CC)c1ccccc1 113480837 PPWVRCFNUPKNOZ-ZFWWWQNUSA-N 262.349 3.662 30 20 CHED C#CCCCCC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 119857112 LLXFITRAMINNPX-RDJZCZTQSA-N 269.388 3.585 30 20 CHED N#Cc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)s1 176408386 PTIOFKPMLKODPJ-YFHOEESVSA-N 269.300 3.581 30 20 CHED CCCN(CCC)Cc1cn(C)nc1-c1ccc(C#N)cc1 179867653 XZLYGRORZNNGLC-UHFFFAOYSA-N 296.418 3.581 30 20 CHED COCc1cccc(/C=C2\Cc3cc(F)ccc3C2=O)c1 172818802 UFKBKBJMOGHNST-OVCLIPMQSA-N 282.314 3.795 30 20 CHED C[C@H](C1CC1)n1cc(Nc2ccc(Cl)c(C#N)n2)cn1 302345002 ARKAJZQTFUMERH-SECBINFHSA-N 287.754 3.518 30 20 CHED N#Cc1cc(F)ccc1NCCc1ccc(F)cc1F 301405211 UABBFMNHAIHQKL-UHFFFAOYSA-N 276.261 3.630 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc(C#N)c1 110718275 ULSVZOASNTZDFC-GDBMZVCRSA-N 270.376 3.647 30 20 CHED N#Cc1ccc(N[C@H](CC2CCC2)c2ccccc2)nn1 302016105 CBDKZQKMMNCIMM-MRXNPFEDSA-N 278.359 3.692 30 20 CHED C=CCOc1ccccc1CNc1nc(C)nc(C)c1C 301700975 SOXXSRRIQONMBL-UHFFFAOYSA-N 283.375 3.579 30 20 CHED CC(C)(C#N)CCCNC1(c2ccccc2)CCC1 174814053 DLHCNFYZNLUCLW-UHFFFAOYSA-N 256.393 3.985 30 20 CHED C[C@H](Nc1c(F)cc(C#N)cc1F)c1nc2ccccc2[nH]1 301082848 FPYQSXIJVFPGJT-VIFPVBQESA-N 298.296 3.886 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)[C@@H]1C 175058301 QYIKAVGGPSRRPD-VHSXEESVSA-N 287.313 3.619 30 20 CHED CCN(Cc1cccc(Cl)c1)c1ccc(C#N)nc1 301548876 XPIURTGOAGZKGP-UHFFFAOYSA-N 271.751 3.633 30 20 CHED N#Cc1ccccc1CNc1ccc2c(c1)C(=O)CCC2 175147491 ROWTWTDKXZNRDE-UHFFFAOYSA-N 276.339 3.689 30 20 CHED N#Cc1cccc(CN2CCSC[C@H]2c2ccccc2)c1 172010747 OBBRXERYJAVMFD-SFHVURJKSA-N 294.423 3.848 30 20 CHED CCOc1cc(C#N)ccc1OCC(=O)c1ccc(C)cc1 68885371 XJHAQYIKIJWKQB-UHFFFAOYSA-N 295.338 3.527 30 20 CHED CCC(=O)Nc1ccc(NCc2cccc(C#N)c2)cc1 37068240 FVHQSCCOEWXTRX-UHFFFAOYSA-N 279.343 3.519 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cn1 60212559 FUKIRNJKEXWWCR-HWKANZROSA-N 290.750 3.719 30 20 CHED CC(C)c1cccc(N/C(N)=N/C[C@]2(C)CCCS2)c1 305089367 ZTYSIVUEQHVWEA-INIZCTEOSA-N 291.464 3.822 30 20 CHED Cc1ncc(CN(Cc2ccc(C#N)cc2)C(C)C)s1 123197811 NLZVJEXQODFAKP-UHFFFAOYSA-N 285.416 3.734 30 20 CHED CCCOc1c(CN[C@H](CC)CC#N)cccc1OCC 184088341 BLEOXHNYMMDXEV-OAHLLOKOSA-N 290.407 3.656 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1OC(F)(F)F 181533257 BHRIHTYIOYZJTM-UHFFFAOYSA-N 288.269 3.625 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)C[C@H](C#N)CCC#N 76513945 XAKHTOQPBJLLKC-ZDUSSCGKSA-N 295.308 3.581 30 20 CHED C[C@H](c1cccs1)N(C)c1nccc(C#N)c1Cl 235182740 OHHDYGISJOKIOX-SECBINFHSA-N 277.780 3.866 30 20 CHED C=C(C)[C@H](N[C@H](C)c1cn[nH]c1C)c1ccc(F)c(F)c1 186452609 ZWNQIROXBNAOQK-HWPZZCPQSA-N 291.345 3.964 30 20 CHED Cc1nc(N2CCCC23CCCCC3)ccc1C#N 488090263 QPMZGWZVUJAQMI-UHFFFAOYSA-N 255.365 3.565 30 20 CHED Cc1cc(F)cc(NC(=O)Nc2cccc(C#N)c2)c1 155093122 KOWGWMARBGZGRX-UHFFFAOYSA-N 269.279 3.650 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1F 71813685 UVKGOZYIUFBQNM-GQCTYLIASA-N 260.264 3.632 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)CCc1cccs1 181374140 LAYQGKCFZYQNDW-ZDUSSCGKSA-N 280.437 3.677 30 20 CHED C#CCCCCNC(=O)N[C@H](c1ccccc1)C1CCC1 124774916 QNOPYVSWTLJTEL-QGZVFWFLSA-N 284.403 3.631 30 20 CHED C=C(C)CN(CC)Cc1cn(C)nc1-c1cccs1 183476475 RXEFZUGRKRHFKZ-UHFFFAOYSA-N 275.421 3.547 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1noc(-c2ccccc2)n1 187781882 FRTBLHXQNUTEPU-ZDUSSCGKSA-N 298.342 3.534 30 20 CHED C=CCOc1cccc(CN[C@H](C)[C@](C)(OC)C2CC2)c1 414495827 CHRUBYNLSCQTTM-KDOFPFPSSA-N 289.419 3.545 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cnc2cc(C)nn2c1C 182182390 VTOGMUPYCOKLDZ-TZMCWYRMSA-N 286.423 3.742 30 20 CHED CC(C)(C#N)CC(=O)Nc1scc(C(C)(C)C)c1C#N 410927425 HRTBAFZKOUSNEM-UHFFFAOYSA-N 289.404 3.796 30 20 CHED C=CCOc1ccc(F)cc1C(=O)c1ccccc1 506381194 LRQZECFIWZTHKU-UHFFFAOYSA-N 256.276 3.622 30 20 CHED N#CC1(CCOc2ccc(-c3nnco3)cc2)CCCCC1 418807154 PMIREOVUGHDOCJ-UHFFFAOYSA-N 297.358 3.980 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1 33732011 XXOOCJANIAKHNK-GHXNOFRVSA-N 280.323 3.678 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(F)(F)F)c(F)c1 410142783 ZTAINZKZVLOSHQ-JTQLQIEISA-N 289.272 3.929 30 20 CHED N#Cc1cccc(CN[C@H](C2CCCC2)C2CC2)c1 453071845 DOLZEJWRHURSTF-QGZVFWFLSA-N 254.377 3.617 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 412162081 KUSYZVQYUHMURR-OAHLLOKOSA-N 285.387 3.532 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1ccccc1Br 506056549 NGXLTEJSUNQTTJ-VXGBXAGGSA-N 295.224 3.992 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(CCOCC)CCCC1 188518919 XEECYKAJKJVRCN-MRXNPFEDSA-N 281.440 3.692 30 20 CHED C[C@@](O)(CNc1c(Cl)cccc1C#N)c1cccs1 78297537 DOKWWDZATLIDNC-CQSZACIVSA-N 292.791 3.593 30 20 CHED C[C@H](CC(=O)N(CCC#N)CC1CC1)CC(C)(C)C 609142375 ZAMJWQWPHGQEFQ-CYBMUJFWSA-N 264.413 3.601 30 20 CHED Cc1csc(SCc2cc(F)ccc2C#N)n1 130137048 IAWJWWYOCWABQY-UHFFFAOYSA-N 264.350 3.755 30 20 CHED CC[C@@H]1C[C@@H](C(O)=Nc2scnc2C2CC2)CCO1 329387256 QVVQXFJHRZCCAG-WDEREUQCSA-N 280.393 3.814 30 20 CHED C#Cc1cccc(NC(=O)CCc2cc(Cl)cs2)c1 134405281 LVOMSBSLFGMDAA-UHFFFAOYSA-N 289.787 3.954 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)cc1 500474000 GCTQJBHJAHZLSA-HUUCEWRRSA-N 297.345 3.501 30 20 CHED CC(C)(CCNc1c(C#N)nnc2ccccc12)C1CC1 328501778 UZFYKIBBUYHFJM-UHFFFAOYSA-N 280.375 3.740 30 20 CHED CC(C)CCc1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 507994685 JBCZDCUZCAQCOM-UHFFFAOYSA-N 299.349 3.749 30 20 CHED C=CCNC(=O)c1ccc(NCc2ccc(F)cc2C)cc1 195086923 PUTSEAXIKORPOQ-UHFFFAOYSA-N 298.361 3.662 30 20 CHED N#CCN(Cc1ccc(OCC2CC2)cc1)C1CCCC1 191386264 JYBNZYVDQGXOGM-UHFFFAOYSA-N 284.403 3.744 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 192147450 ZAJFRRPUNSVCLW-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OC(F)F)cc1F 424818292 GUJWGZCDUBWBHI-UHFFFAOYSA-N 287.281 3.968 30 20 CHED C[C@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)CCS1 617221897 YOEBEYZWMDJVNY-LBPRGKRZSA-N 289.448 3.583 30 20 CHED O/C(=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1c[nH]c2cccnc12 328798093 WIJCAGJASAJQQY-QCPCCJPKSA-N 295.386 3.692 30 20 CHED C=C(CNC(=O)N1CCc2sccc2C1)c1ccccc1 512672374 KAUZIULHEFSYDE-UHFFFAOYSA-N 298.411 3.529 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 424333520 ULIOPXYDJQDNKI-WCFLWFBJSA-N 277.437 3.918 30 20 CHED C[C@@H](CCC1CC1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425505929 ZNDOGZJWKBTYQG-UONOGXRCSA-N 299.418 3.839 30 20 CHED CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)C(C)(C)C 517948871 OZTUFXSBKOFZGY-ZDUSSCGKSA-N 261.325 3.703 30 20 CHED CC(C)Oc1ccc(N(C)C(=O)C2(C#N)CCCC2)cc1 191631781 OGGWNYHBCAVKQZ-UHFFFAOYSA-N 286.375 3.521 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1nc(C(C)C)cs1 425919874 GQUFOAHPFKDLPH-LBPRGKRZSA-N 293.436 3.517 30 20 CHED N#Cc1ccc(OCc2ncccc2C(F)(F)F)cc1F 428073769 XWFYWUGHVHZFLW-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNCc1cccc(C#N)c1 512223571 CRUVMDVRBCYIBI-RHSMWYFYSA-N 256.393 3.864 30 20 CHED C[C@H](c1ccccc1Br)N(C)CCCC#N 194975330 QASCSZVJDSEWCE-LLVKDONJSA-N 281.197 3.746 30 20 CHED CSc1ccccc1COc1ccc(C#N)cc1F 511849621 PUKUZIYYTAGCGK-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=CCC[C@H](NC[C@@H](C)O)c1ccc(C(F)(F)F)cc1 337184937 OMDOAWBNHYORSB-RISCZKNCSA-N 287.325 3.683 30 20 CHED N#Cc1cccc(/C=C2/CCOc3ccc(F)cc3C2=O)c1 96988710 UKOUMYPTRSHGJC-ZROIWOOFSA-N 293.297 3.746 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cc2ccccc2s1 49632970 UYPFZLQYRYWRJU-UHFFFAOYSA-N 286.400 3.913 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(F)c2ccccc12 232648843 QOABROZXEBEHAP-UHFFFAOYSA-N 284.334 3.743 30 20 CHED CC(C)O[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 427987414 ARLCZMSVDBKXCG-QGZVFWFLSA-N 294.354 3.663 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)Cc1cccs1 335746634 VWJGBDPRWWZZLL-UHFFFAOYSA-N 285.372 3.592 30 20 CHED Cc1ccc(C)n1C1CCN(Cc2ccccc2C#N)CC1 337671331 JXQVJFGFLGHEIM-UHFFFAOYSA-N 293.414 3.814 30 20 CHED C[C@@H]1CCC[C@@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 339994825 NYJSXLRIZZSQDN-DJIMGWMZSA-N 284.403 3.626 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc(C#N)cc2Cl)c1 335821287 HBWSSPSFWBRERN-UHFFFAOYSA-N 295.729 3.530 30 20 CHED Cc1oc(C(C)C)cc1/C(O)=N/C[C@@]1(C)CCCO1 330605831 HXVSZYHTUSOPHT-OAHLLOKOSA-N 265.353 3.585 30 20 CHED CC1(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC(=O)CC1 335355556 XTQOROQJVRQSQL-UHFFFAOYSA-N 298.386 3.576 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@H](C(=N)O)C(C)C 330398975 SVZSERFKKLMVCT-NSHDSACASA-N 297.424 3.514 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 338362659 SZNIIXLFBBRDPZ-INIZCTEOSA-N 279.343 3.831 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(N(C)C)cc1C 334641421 SCDNEHPRDJTYBY-AWEZNQCLSA-N 287.407 3.633 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@@H](C)CCc1ccccc1 435742684 WQTFXRYKKYXVHE-UHOSZYNNSA-N 287.447 3.826 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H](c2ccccc2)C1 431946585 QYWUEFCTTHAQCQ-GOEBONIOSA-N 272.392 3.540 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(CC)c(C)s1 431323983 RYMLIVLASIVINK-UHFFFAOYSA-N 252.383 3.555 30 20 CHED CCN(C(=O)C1=C(C)CCC1)[C@@H](C)c1ccc(C#N)cc1 437266401 KSZSNNXCFBRYFB-AWEZNQCLSA-N 282.387 3.968 30 20 CHED COC[C@H](C)n1c(-c2ccc(C#N)cc2)nc2ccccc21 435713798 NCUJIQDABQNVIV-ZDUSSCGKSA-N 291.354 3.782 30 20 CHED Cc1ccnc(N(Cc2ccccc2F)C2CC2)c1C#N 343509810 LKCVBOSJEFFTME-UHFFFAOYSA-N 281.334 3.570 30 20 CHED CC(C)N(Cc1cccc(F)c1)CC1(CC#N)CC1 602765010 TXFBAUKZYFZMRX-UHFFFAOYSA-N 260.356 3.730 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1ccccc1OC(F)F 602507707 QUUYAKZABZTMJK-NEPJUHHUSA-N 282.334 3.878 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NC[C@H](C)CCC#N)c1 602558331 OTMMHWCKYYAGMT-CZUORRHYSA-N 258.409 3.764 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@@H](CC(C)C)C2)n1 346851088 OAGGXNFHQNEIFT-AWEZNQCLSA-N 257.381 3.524 30 20 CHED Cc1c[nH]cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 343359120 JJIOMXCGQJDOFQ-LBPRGKRZSA-N 299.399 3.970 30 20 CHED Cc1ccc(-c2nc(CN(CC#N)C3CCCC3)co2)cc1 524593771 QNZBXSCYAQHYKF-UHFFFAOYSA-N 295.386 3.918 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccccc1-n1ccnn1 340429233 IQTXADATXHEPCU-AWEZNQCLSA-N 284.407 3.520 30 20 CHED CCC(CC)CN(CCC#N)[C@@H](c1nccn1C)C1CC1 602464174 CSWFNGGERDEECW-MRXNPFEDSA-N 288.439 3.523 30 20 CHED CC[C@H](C)[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 341685101 QNGZYUQRYIRBNE-DCGLDWPTSA-N 256.393 3.960 30 20 CHED CC(C)[C@H](NC(=O)NCCCC#N)c1ccccc1Cl 343813471 LJWGAOLAPROAGG-AWEZNQCLSA-N 293.798 3.640 30 20 CHED C=CC[C@H](C)NC(=O)N(C)Cc1ccc(F)c(Cl)c1 432905515 SULJETYZJVZMMO-JTQLQIEISA-N 284.762 3.585 30 20 CHED N#Cc1ccc(/C=C/c2cnc(-c3ccco3)s2)nc1 340590850 ZBPFDUKWZDYJHH-AATRIKPKSA-N 279.324 3.840 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1cccc(C#N)c1 523449704 SWHCXAUPWOHLNK-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CCOc1cccc(N=Cc2cc(OC)ccc2O)c1 255741230 RQJRDXFNVVFXAM-UHFFFAOYSA-N 271.316 3.550 30 20 CHED C[C@H](CCC#N)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 602676198 MEEFVZXSFYPFHS-CZUORRHYSA-N 292.810 3.733 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@H](C)Cc1ccsc1 602624839 OWHKWSXFAXCRKH-UONOGXRCSA-N 264.438 3.941 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CC12CCCCC2 343054765 XHIVARJKOAMUPL-HNNXBMFYSA-N 279.424 3.588 30 20 CHED C/C(=C\c1ccc(C#N)cc1)c1nc(O)c2ccsc2n1 255363119 JMIGXKARJYYXLP-CSKARUKUSA-N 293.351 3.829 30 20 CHED CCN(CC#Cc1ccc(F)cc1)Cc1ccccc1 448196440 KPAFOGSALVFOAU-UHFFFAOYSA-N 267.347 3.699 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cc(C)cc(Cl)c1 355655982 SJTRNROYWSDFEO-UHFFFAOYSA-N 299.761 3.814 30 20 CHED CC[C@H](CCc1ccccc1)NC[C@@H](C)CCC#N 602719299 AYDJPGFTCUOORI-DOTOQJQBSA-N 258.409 3.927 30 20 CHED COCc1cc(C#N)ccc1N[C@H]1CCC[C@H](SC)C1 603290486 AOBMMZDDRNZYBK-GJZGRUSLSA-N 290.432 3.791 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H]1CCCC[C@@H]1C 444681171 YOFZSXWIVZRSQS-XJKSGUPXSA-N 272.392 3.577 30 20 CHED COc1ccccc1[C@H]1CCCCN1CCCC#N 609280925 WRPCHBGTDFSVHK-OAHLLOKOSA-N 258.365 3.526 30 20 CHED CN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCCCC1 353825896 MAXDSWIWCWZGSI-MRXNPFEDSA-N 284.403 3.865 30 20 CHED C[C@H](CCC#N)CNC[C@H]1CCCCC(F)(F)C1 602674744 YPARQTIUTRWQIN-OLZOCXBDSA-N 258.356 3.731 30 20 CHED C=CCCC(=O)N1CCC(CCN(CC)CC(C)C)CC1 539135030 NHYSLPSMHHWVTG-UHFFFAOYSA-N 294.483 3.559 30 20 CHED N#C[C@@H]1CCCC[C@H]1NCCc1cccc(C(F)(F)F)c1 600180633 MNTLUMVHTUPBGM-DZGCQCFKSA-N 296.336 3.920 30 20 CHED C[C@H](CCC#N)CNC1CCN([C@H](C)c2ccccc2)CC1 602553882 XNADGYBTCAQNPL-IAGOWNOFSA-N 299.462 3.741 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 533706414 UKKKQPKZKSPZOK-ZDUSSCGKSA-N 277.795 3.697 30 20 CHED Cc1cc(CN[C@@H]2COc3ccc(Cl)cc32)ccc1C#N 443992970 YYOUOYYSSCAMBV-MRXNPFEDSA-N 298.773 3.743 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccccc1F)C1CCCC1 538226526 SPOCBIMKSLBYQX-YJBOKZPZSA-N 291.410 3.974 30 20 CHED COc1cccc2c1CC[C@H](Nc1cccc(CC#N)c1)C2 449696200 JTALCWHVQCREMW-KRWDZBQOSA-N 292.382 3.731 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 356646704 QUNKJUHQFQYRDT-LBPRGKRZSA-N 288.347 3.518 30 20 CHED Cc1cc2c(SC[C@H](C#N)CCC#N)ncnc2s1 447161976 DGPRVJZIRYYDKM-JTQLQIEISA-N 288.401 3.535 30 20 CHED CCCCN(C(=O)c1cc(C#N)[nH]c1C)C1CCCCC1 448822812 KGEPVWWUAGNUPL-UHFFFAOYSA-N 287.407 3.770 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cc2cccc(F)c2o1 355750598 VLDUMTNLVLOKCW-JTQLQIEISA-N 258.296 3.526 30 20 CHED C=CCCCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 267342032 SXUNERSTRDTASR-IBGZPJMESA-N 294.398 3.776 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccccc1 352304513 PFLCFZRWDFZOAG-UHFFFAOYSA-N 295.292 3.997 30 20 CHED Cc1csc(C/N=C(/N)Nc2ccc(C)c(C)c2)c1 263213927 ZMWIAJFDRYLGIQ-UHFFFAOYSA-N 273.405 3.600 30 20 CHED C[C@@H]1CN(C)c2ccccc2N(CCC(C)(C)C#N)C1 538466233 HBIAWYYCQBITAY-CQSZACIVSA-N 271.408 3.519 30 20 CHED CC(C)[C@H](C)N(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 263648971 CQGWATBRHFGLAK-LBPRGKRZSA-N 290.411 3.623 30 20 CHED C=CC(C)(C)CNCc1ccc(OC(F)F)c(OC)c1 449485270 LUISFSKOELNWRN-UHFFFAOYSA-N 285.334 3.598 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 539094693 BKIFAAFWGBJGHU-CABCVRRESA-N 291.460 3.994 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(O)cc1Cl 616940827 GPBWAYNJCNZWFV-CYBMUJFWSA-N 253.729 3.586 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H](CCc2ccccc2)C(F)F)C1 613666824 BAIASMWWXSFIOC-QLFBSQMISA-N 278.346 3.535 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)cc1 537594113 SSKPCQADDLEYLK-FZKQIMNGSA-N 290.366 3.612 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N(C)CC1(C#N)CCC1 450226804 MZYNIHKGLCEVOB-LLVKDONJSA-N 264.319 3.651 30 20 CHED C=C(CC)CN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 453374708 TXQWUZNEXMXTDN-DLBZAZTESA-N 287.403 3.724 30 20 CHED CC(C)(C(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CCCC1 618786638 SXVIBTIOMCJYDD-KRWDZBQOSA-N 296.414 3.878 30 20 CHED CC[C@H]1CCN(c2c(C#N)cnc3c(C)cccc23)C1 610677951 RIVALUWLTOWRBU-ZDUSSCGKSA-N 265.360 3.651 30 20 CHED N#C[C@H]1CC[C@H](Sc2nc3cc(F)c(F)cc3[nH]2)C1 450783877 FSBLWCVCYMEJPZ-YUMQZZPRSA-N 279.315 3.625 30 20 CHED CC(C)c1ccccc1NC(=O)NCC(C)(C)CC#N 459225050 BLRYVZIKRXWVGH-UHFFFAOYSA-N 273.380 3.871 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 617789430 IUSUHXGRTHMHKK-CQSZACIVSA-N 282.387 3.525 30 20 CHED N#CCCCC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 360382507 UFDMPEJPDYUUHH-UHFFFAOYSA-N 295.342 3.851 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(F)cc1Cl 454185433 NUNRNJJCODLCGL-UHFFFAOYSA-N 256.708 3.567 30 20 CHED CC[C@H](C)CCCCC(=O)N[C@H](C#N)CC(C)C 612052319 JFFQSIPDEHQONH-KBPBESRZSA-N 252.402 3.647 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)NCC(C)(C)C#N)cc1 611689942 CNTJNVOZUPPACY-AWEZNQCLSA-N 286.419 3.970 30 20 CHED C[C@H](CNCC(C)(C)CC#N)c1cccc(Cl)c1 459737801 WVZKCCXGFPCNQF-GFCCVEGCSA-N 264.800 3.973 30 20 CHED C=CCCN(C)C(=O)c1c[nH]cc1-c1ccc(C)s1 276151616 GNGFMVJNVWYYPJ-UHFFFAOYSA-N 274.389 3.700 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H](CC(C)C)c1ccccc1 611250530 KJTUPVZXTOAANY-IAGOWNOFSA-N 286.419 3.871 30 20 CHED CC(C)N(Cc1cccs1)C(=O)NCC(C)(C)CC#N 459256151 HZSDLTZAYYFSGI-UHFFFAOYSA-N 293.436 3.608 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OC)c(OC(C)C)c1 455149902 VSFLOPODNFBJAP-UHFFFAOYSA-N 292.379 3.570 30 20 CHED C#CC[C@H](NCc1sccc1C)c1ccccc1 270152273 DEKGHOFNKONBSX-HNNXBMFYSA-N 255.386 3.911 30 20 CHED C=CCC[C@H](C(=O)NCc1cccnc1C)c1ccccc1 628899521 WGGHXRONZDABKI-SFHVURJKSA-N 294.398 3.756 30 20 CHED CN(C(=O)[C@@]1(C#N)CC12CCCC2)C1CCCCCC1 459913110 WBHFXSQWNORDPM-KRWDZBQOSA-N 274.408 3.642 30 20 CHED CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452659741 YQJFJSADSTZXRJ-NEPJUHHUSA-N 276.767 3.637 30 20 CHED C=CCC1(CNCc2cnc(C3CC3)nc2)CCCC1 459570581 MLDZIYDVVGOBNU-UHFFFAOYSA-N 271.408 3.580 30 20 CHED C=CCCc1noc(CCc2c[nH]c3cc(C)ccc23)n1 453230703 HLNWZLDSCSVCGO-UHFFFAOYSA-N 281.359 3.763 30 20 CHED C=CCN(C(=O)Nc1cc(OCC)ccc1Cl)C1CC1 455757690 OWAAPNRLQAEJIU-UHFFFAOYSA-N 294.782 3.921 30 20 CHED C=C(CNC(=O)c1nccc2ccccc12)c1ccccc1 360207410 HFDJDXOEJNEFCE-UHFFFAOYSA-N 288.350 3.678 30 20 CHED C=CCCCC(=O)N1CC[C@H](c2cccc(C)c2)C1 273053288 GLWSOJDAZAVIKU-INIZCTEOSA-N 257.377 3.667 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@]2(CCSC2)C1 450899422 DMFPJDBSVPRIBR-HNNXBMFYSA-N 292.835 3.935 30 20 CHED Clc1cccc(C#CCS[C@H]2CCCOC2)c1 272397091 DPPOROOHZSHIGB-AWEZNQCLSA-N 266.793 3.604 30 20 CHED C=CCN(C)C(=O)CCc1nc2cc(Cl)ccc2s1 548616577 GNJPYPYNRFBXFU-UHFFFAOYSA-N 294.807 3.527 30 20 CHED CC#CCCCc1nc(-c2ccc(Cl)cc2)no1 545225772 HDBOALPYMCFXDR-UHFFFAOYSA-N 260.724 3.736 30 20 CHED Cc1nc(N2CC=C(c3ccccc3)C2)c(Cl)cc1C#N 461937528 UMNYGJRANFYLFW-UHFFFAOYSA-N 295.773 3.819 30 20 CHED C=CCC(C)(C)CN[C@H]1CCN(C(C)=O)c2ccccc21 621762412 BTTQCYHBWNEFNT-INIZCTEOSA-N 286.419 3.676 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCCC1CCCC1 464163383 IXSWRPJUJSMLDQ-MRXNPFEDSA-N 264.413 3.791 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1cc(Cl)ccc1OC 289323972 BXQJDQOQNDOCOM-SNVBAGLBSA-N 299.823 3.985 30 20 CHED CCCCCCCC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 375143719 RFELVBKRJXETRB-IAGOWNOFSA-N 281.440 3.668 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCC(F)(F)C1 552997455 KXQQKPKNCJDWCM-OCCSQVGLSA-N 273.367 3.921 30 20 CHED Cc1ccc([C@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 461906548 ZCDHMKGOZSMSIB-CABCVRRESA-N 292.382 3.848 30 20 CHED CC(C)Oc1ccc(NCCC(C)(C)C#N)cc1C#N 288773960 VDRKEWGCQFFYMR-UHFFFAOYSA-N 271.364 3.697 30 20 CHED CN(Cc1ccc(C(F)(F)F)s1)CC(C)(C)C#N 552316788 LYBRNPAHDAHRPS-UHFFFAOYSA-N 276.327 3.748 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@H](C)CCC1CCCCC1 550812398 KSFPFPLCSRCBPQ-CQSZACIVSA-N 299.418 3.741 30 20 CHED C=CCCCCCN(C)C(=O)c1noc2c1C[C@@H](C)CC2 469472851 QWGOJRXNVMUSOA-ZDUSSCGKSA-N 290.407 3.618 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1ccc2nc(O)oc2c1 631737544 QRCNUYOVOLAQFF-MNOVXSKESA-N 260.337 3.539 30 20 CHED CC#CCCN(CCC)[C@@H](C)c1ccccc1OC 462323081 RZIAAEGQSBWTLZ-HNNXBMFYSA-N 259.393 3.882 30 20 CHED C[C@H](NCCC#N)[C@H](C)c1ccccc1C(F)(F)F 280550738 JZSSBUUXYXXAPJ-QWRGUYRKSA-N 270.298 3.701 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)c1ccc(C(C)C)cc1 281358249 SEKWWFRYSNBAIO-UHFFFAOYSA-N 282.343 3.860 30 20 CHED COCC(C)(C)CCCNc1cc(C#N)ccc1C(C)=O 808076227 QVMXUAQXYDANFV-UHFFFAOYSA-N 288.391 3.626 30 20 CHED C[C@H](SCCO[C@H](C)C#N)c1ccc(F)cc1 801658044 UBBHUBFZYFNBLT-MNOVXSKESA-N 253.342 3.549 30 20 CHED C=CCCCCNC(=O)NCc1cc(F)ccc1SC 472751710 ODVVFUHMTQTZNX-UHFFFAOYSA-N 296.411 3.703 30 20 CHED O=C(/C=C/c1ccc(C(F)F)cc1)c1ccnc(O)c1 806555725 HRVJRTMOLAUMGP-ZZXKWVIFSA-N 275.254 3.621 30 20 CHED C#Cc1ccc(CN[C@H](C)c2cc(F)ccc2OC)cc1 809606742 COBVMELAYWVESE-CYBMUJFWSA-N 283.346 3.666 30 20 CHED C[C@@H](C#N)OCCSCc1cccc(Cl)c1F 802751660 KMOSCBMPIWAUEH-VIFPVBQESA-N 273.760 3.641 30 20 CHED C=CCCCCNC(=O)[C@H](C)c1cn(C)c2ccccc12 476301789 GPDFYBWTBQQKOP-CQSZACIVSA-N 284.403 3.754 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](C)c1cccc(C)c1 804836170 YVRBZNBRHFLWDD-KRWDZBQOSA-N 291.394 3.761 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](CC)SC)CCCC1(C)C 470270560 KWCVXYWHQJWMTE-STQMWFEESA-N 269.454 3.721 30 20 CHED C#CCCCNc1cnn(-c2ccc(Cl)cc2)c1C 809202058 XYQXCGBDRIGYGF-UHFFFAOYSA-N 273.767 3.659 30 20 CHED CC(C)C[C@H](C)C=NNc1nccnc1C1CCC1 807994909 WPNVEQVXDPUMNM-LBPRGKRZSA-N 260.385 3.824 30 20 CHED C=C(C)COCCNCc1c(Cl)cccc1CC 474349638 XHLCFAVXFSXHQT-UHFFFAOYSA-N 267.800 3.585 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 295164411 QXWBBDJAGVCXHG-UHFFFAOYSA-N 285.347 3.661 30 20 CHED C=CCC1(C(=O)N[C@H]2CCS[C@@H]2C)CCCCC1 648677668 RYNKSXODOVCILA-OLZOCXBDSA-N 267.438 3.523 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1csc(C(C)(C)C)n1 294253818 OCSHBXXRPSDVML-UHFFFAOYSA-N 294.464 3.702 30 20 CHED C=CCC[C@H](O)CN1Cc2ccccc2-c2ccccc2C1 472680005 USROIDWSFCFEIY-SFHVURJKSA-N 293.410 3.996 30 20 CHED CCC[C@@H](CCc1ccccc1)NC(=O)CCCC#N 292076914 IWIWPUPQZZVGLJ-INIZCTEOSA-N 272.392 3.598 30 20 CHED CC(C)CN(CC#N)[C@H](C)c1ccccc1Cl 563523760 QBCUMNCRYIRBDG-GFCCVEGCSA-N 250.773 3.883 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCc1occc1C 292030659 GTHQCXUOFCVUHM-UHFFFAOYSA-N 298.386 3.528 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)C(C)C)c1ccc(Cl)cc1F 804419647 SDGOXTZBZPDNOB-QMTHXVAHSA-N 281.758 3.562 30 20 CHED C=CC[C@H](CO)CN[C@H](CC(C)C)c1ccc(OC)cc1 647295958 ZMUHPHJKIOHJMP-MAUKXSAKSA-N 291.435 3.557 30 20 CHED CC[C@H](C)CCC(=O)O[C@H](C#N)C1CCCCC1 802799848 HZFOSSGAXKECEN-GXTWGEPZSA-N 251.370 3.828 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2cccc(Cl)c2[nH]1 561226946 TYBASKWUTKDHDD-CQSZACIVSA-N 277.755 3.757 30 20 CHED C=CCCCCCCNC(=O)c1ncccc1CSC 810730022 WLOHTIRDVBKMKD-UHFFFAOYSA-N 292.448 3.811 30 20 CHED c1ccc2c(NN=C3CCCc4sccc43)nncc2c1 814705848 OXWUZVQHXJIRDT-UHFFFAOYSA-N 294.383 3.844 30 20 CHED C=CC[C@H](CC)N[C@@H](C)Cc1ccc(OC)c(OC)c1C 560536254 JVOLVIIKEGZDKK-BBRMVZONSA-N 291.435 3.888 30 20 CHED Cc1ccc(NN=Cc2ncc(C(C)(C)C)s2)nc1 814831818 RZGICEIUVVJEQE-UHFFFAOYSA-N 274.393 3.590 30 20 CHED C[C@@H](OC(=O)CCCC#N)c1ncc(-c2ccccc2)o1 812616585 IORQWNKJIMWNNP-GFCCVEGCSA-N 284.315 3.640 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC1(CCOC)CCC1 657906587 VEGGYLWBZYUXET-HZPDHXFCSA-N 265.441 3.918 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccccc1C#N 814697557 TWDDJNCUCZHVKI-UHFFFAOYSA-N 286.338 3.943 30 20 CHED C=C(CC)COC(=O)c1cc(C(F)(F)F)cc(Cl)n1 811229269 CWEBDHWOIPOHCC-UHFFFAOYSA-N 293.672 3.877 30 20 CHED C=CCC[C@@H](NCc1cn(CCC=C)nn1)c1ccccc1 653606662 WZYDDYSWPUEBPV-GOSISDBHSA-N 296.418 3.651 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C)OC2(CCC2)C1)c1ccccc1 571048886 MXNPEOPEVDJXIP-HZPDHXFCSA-N 299.414 3.516 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1c(Cl)cnn1C 812232010 OMMGHNFLBZLDKA-UHFFFAOYSA-N 290.798 3.951 30 20 CHED COc1ccc(O)c(C=Nc2cc(F)ccc2Cl)c1 727972636 AFXZYJPRZKCWKG-UHFFFAOYSA-N 279.698 3.944 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1ccccc1F 726739264 IRQNDUNGEGTUQP-UHFFFAOYSA-N 296.305 3.712 30 20 CHED Fc1cccc(C2CC(=NOC/C=C\Cl)C2)c1 811669272 NORAQRSUTVHZSZ-DESBOOFNSA-N 253.704 3.828 30 20 CHED COc1cc(F)cc(NN=C2CCc3cccnc3CC2)c1 817326242 UGZHQZXGVDRTGV-UHFFFAOYSA-N 299.349 3.576 30 20 CHED COCc1ccccc1/C=C(\C)C=NNc1ccc(F)cn1 814222179 ZQZIEHKPGKQMSO-OTQCRUNXSA-N 299.349 3.868 30 20 CHED C=CCCCCOC(=O)CCC(=O)c1ccccc1 811013458 WLWZUDRHVUBVRX-UHFFFAOYSA-N 260.333 3.549 30 20 CHED Cc1ccc(C2=CCN(c3ccc(C#N)c(C)n3)CC2)cc1 813583958 ISABJWJNOHVJCT-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC1(CCO)CCCC1 657894600 AIEIUZKCPGZTRC-CVEARBPZSA-N 265.441 3.654 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1onc(C(F)(F)F)c1CC 577505215 FEXIXLAHBSWMTC-GFCCVEGCSA-N 290.285 3.797 30 20 CHED CCCC(Cc1ccccc1)=NNC(=S)NC(C)(C)C 727257062 SZRPWLBQCLIXMF-UHFFFAOYSA-N 291.464 3.648 30 20 CHED C=CC(C)(C)c1nc([C@H]2CCc3ccccc3C2)no1 651246038 PQBDIJAUFNRZFD-AWEZNQCLSA-N 268.360 3.806 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1nccc2[nH]ccc12 827370541 GLWDGTCPEYKJPX-UHFFFAOYSA-N 297.402 3.771 30 20 CHED Cc1ccc(C2CC(=NNc3ccc([N+](=O)[O-])cn3)C2)cc1 729816493 NBGGVRJSZPFCKW-UHFFFAOYSA-N 296.330 3.644 30 20 CHED C#Cc1ccc(CNc2cccc(NC(=O)OC)c2C)cc1 496962273 LYEFRGPWVOPBDA-UHFFFAOYSA-N 294.354 3.767 30 20 CHED C=CCCCCS(=O)(=O)Cc1cc(C)ccc1C 666332930 CHGVNEVBYSDMGX-UHFFFAOYSA-N 266.406 3.575 30 20 CHED C=CCCCCCN[C@H](CC)c1nnc2n1CCCCC2 661941216 MCNYJZKLONHZIB-OAHLLOKOSA-N 290.455 3.792 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC(C)(C)c1ccccc1F 494697131 NXMPZXRIAZPJPL-CYBMUJFWSA-N 292.398 3.757 30 20 CHED Cc1cccc2c1CCN2Cc1ccc(F)cc1C#N 728570240 ZIKYZJAQLLDFFN-UHFFFAOYSA-N 266.319 3.569 30 20 CHED COc1cc(C#N)ccc1OCCSCC=C(C)C 584194969 HMAWZOKIEUKMKA-UHFFFAOYSA-N 277.389 3.645 30 20 CHED C=CC(C)(C)CNC[C@@H](O)Cc1ccc2ccccc2c1 580423245 KQDQJIWZFFTKPQ-SFHVURJKSA-N 283.415 3.545 30 20 CHED CC(C)CCCCCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 823885972 LIFSORYGWFPFLI-LSDHHAIUSA-N 279.428 3.584 30 20 CHED C[C@@]1(CNc2snc(Cl)c2C#N)CC1(Cl)Cl 828791199 QQIQEUQNTVMOST-QMMMGPOBSA-N 296.610 3.664 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cnc(C3CCCCC3)s2)C1 583866309 RPZRHGQDPALWOV-OCCSQVGLSA-N 289.448 3.973 30 20 CHED CCc1nc(C)c(C(C)=NNC(CC)CC)s1 735229451 ZRGPLPHJNYTPRS-UHFFFAOYSA-N 253.415 3.516 30 20 CHED C/C=C(/C=C/C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CC 493142690 XVROLUJQHFNTGM-SLIOFAAKSA-N 282.387 3.990 30 20 CHED c1ccc2c(OCCON=C3CCCOCC3)cccc2c1 588398023 DPCKWIHCALGSFG-UHFFFAOYSA-N 299.370 3.792 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1cncn1C(C)C)C2 901518639 NBPVIUGMNWCTGC-ZSOIEALJSA-N 266.344 3.595 30 20 CHED C=C(CN[C@@H]1CCc2ccccc2OC1)c1ccccc1 493811067 BHMOVJARRBOKMN-GOSISDBHSA-N 279.383 3.683 30 20 CHED C#CCC[C@H](C)OC(=O)CCSc1ccccc1 839033359 DBWLMONQBUFOGF-ZDUSSCGKSA-N 262.374 3.514 30 20 CHED C=CC[C@@H](NC(=O)N[C@H](C)CCCCC)c1ccncc1 734653079 YOPXZDDCLVTIBB-GDBMZVCRSA-N 289.423 3.967 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2ccncc2)cc1 588386333 GVERMCNXASPHBA-YVMONPNESA-N 267.328 3.765 30 20 CHED C#CCOc1cccc(OC(=O)c2cc(C)sc2C)c1 730501791 QMBDHHCRIAPZOU-UHFFFAOYSA-N 286.352 3.596 30 20 CHED O=C1/C(=C/c2cccc(F)c2)COc2ccc(F)cc21 731565255 JBWWWWGYLGLHCV-IZZDOVSWSA-N 272.250 3.624 30 20 CHED C=CCN(C(=O)Nc1scnc1C(C)C)C(C)C 836740168 KFOLJCYQZBHQJZ-UHFFFAOYSA-N 267.398 3.695 30 20 CHED N#Cc1c(Cl)nsc1N1CCCc2sccc2C1 730566959 IXDQFOLHDLWQHW-UHFFFAOYSA-N 295.820 3.682 30 20 CHED Fc1ccccc1[C@]1(F)CCN(CC#Cc2ccccc2)C1 670107726 GDEJVSIMGDZIQT-IBGZPJMESA-N 297.348 3.748 30 20 CHED C=CCC(=NNCc1ccc(OC)cc1)c1ccc(F)cc1 735612831 PRUBVAGVTXABRI-UHFFFAOYSA-N 298.361 3.904 30 20 CHED N#CCOc1ccc(CN[C@H](C2CCCC2)C2CC2)cc1 834640566 OTOOUPJARNFUFY-GOSISDBHSA-N 284.403 3.647 30 20 CHED CCc1ccc(COC(=O)/C=C\c2ccccc2C#N)cc1 735341364 LMBQEYFQYIHQKK-QXMHVHEDSA-N 291.350 3.877 30 20 CHED N#Cc1c(F)cccc1Sc1nc(C2CC2)ns1 596306432 QENDECQRBJPLKN-UHFFFAOYSA-N 277.349 3.577 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)C#CC(C)(C)C 837352457 KNXRWPWWLYZRTL-INIZCTEOSA-N 269.388 3.708 30 20 CHED CCS[C@H]1CC[C@@H](N(C)CCc2ccc(C#N)cc2)C1 595329680 AJCJEUWPBZOIDO-SJORKVTESA-N 288.460 3.707 30 20 CHED COc1ccc(C)cc1C(C)=NNc1nc2ccccc2[nH]1 744665427 MXCOAGCSKCSOMZ-UHFFFAOYSA-N 294.358 3.716 30 20 CHED CC(C)=CCCC(C)=NNc1nccnc1Cl 749164304 IYZZLVKZLNTZJQ-UHFFFAOYSA-N 252.749 3.664 30 20 CHED C=C(C)COC(=O)c1c(-c2ccc(F)cc2)noc1C 914924382 MKGHAQHIPXIXAR-UHFFFAOYSA-N 275.279 3.522 30 20 CHED CC(C)(C#N)CCN[C@]1(c2ccccc2)CC1(C)C 595910873 TWRYGCBZGNOLHG-KRWDZBQOSA-N 256.393 3.841 30 20 CHED CCC(CC)Oc1ccc(C(=O)N(CC)[C@H](C)C#N)cc1 598350667 RVQXXHQWQJJIAR-CYBMUJFWSA-N 288.391 3.628 30 20 CHED C=C(C)CONC(=O)C1(c2cccs2)CCCCC1 846537372 LJCYDHFILGCGLA-UHFFFAOYSA-N 279.405 3.574 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CC34CCCC4)[nH]c12 747479645 OUBIQCMEJOVJAN-OLZOCXBDSA-N 293.370 3.628 30 20 CHED N#C[C@@H](C(=O)C[C@@H]1C=CCC1)c1nc(C2CC2)cs1 842938628 OFURQHAQCZTVKV-PWSUYJOCSA-N 272.373 3.553 30 20 CHED Cc1cc(CCCC(=O)N(C2CC2)[C@H](C)C#N)c(C)s1 598131096 JKRWEMDHUJXYTB-LLVKDONJSA-N 290.432 3.591 30 20 CHED C=C(C)CONC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 845593068 VMMFXFOCWRDDDS-CQSZACIVSA-N 294.370 3.720 30 20 CHED CC(=NNc1ccc(Br)c(C)c1)[C@H]1CCOC1 741762600 PEVPTQCRGZLOCH-NSHDSACASA-N 297.196 3.582 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@H](C)CC2CCCC2)n1 598855867 ZOIJTMPVVUHMTC-GFCCVEGCSA-N 285.391 3.725 30 20 CHED C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc2ccccc12 598599448 IYWAIGVVCIFAPA-ZBFHGGJFSA-N 296.414 3.791 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1 747735762 KEMQWEQXEKHTSF-ZDUSSCGKSA-N 261.325 3.819 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](CC)C1CCCCC1)OCC 677302963 JBEDZEGNODQZHB-JKSUJKDBSA-N 281.440 3.833 30 20 CHED N#Cc1c(Cl)cccc1N1CCOCC2(CCCC2)C1 590697770 ADCMLMWHMSCMQK-UHFFFAOYSA-N 290.794 3.609 30 20 CHED CSc1cc(C)c(C(=O)N(CCC#N)CCC(C)C)o1 597143721 CHEWCABMVIUDNL-UHFFFAOYSA-N 294.420 3.712 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@H](C)C2CC2)cc1 847041852 DDPWGHBBTYTGMX-GUYCJALGSA-N 284.403 3.708 30 20 CHED Cc1cc(/C=C2/Oc3ccccc3C2=O)ccc1F 742437959 YBEHLCJPEFWHHQ-OQLLNIDSSA-N 254.260 3.750 30 20 CHED Cc1ccc(-c2noc(CC3(C#N)CCCCC3)n2)nc1C 596600900 LNBPJHZCMPLXOY-UHFFFAOYSA-N 296.374 3.765 30 20 CHED O=C1/C(=C/c2ccnn2CC2CC2)CSc2ccccc21 849243812 YGJBYHWYFSLBPY-UKTHLTGXSA-N 296.395 3.665 30 20 CHED C[C@@H]1CC/C(=C\C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)C1 842940696 IPVBETCAZVTURF-PLOHRWSOSA-N 286.400 3.943 30 20 CHED CC1(C)C[C@]1(C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 597498478 IJLVPQNJRXXQKM-RTBURBONSA-N 296.414 3.507 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccc(OC(C)C)cc1 914557992 OKIFPTWKKTZJNA-UNOMPAQXSA-N 299.370 3.807 30 20 CHED CCCCNN=Cc1csc(-c2ccc(F)cc2)n1 915966602 YNPDHKORDABAFI-UHFFFAOYSA-N 277.368 3.673 30 20 CHED C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1CCC(C)(C)C#N 592156144 HEPITBOTWBSSCE-CJNGLKHVSA-N 290.382 3.527 30 20 CHED C=CCCCCNC(=O)c1ccccc1Oc1cccnc1 681145590 FXERNQFMXNAYKA-UHFFFAOYSA-N 296.370 3.960 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 593984936 DMBDFYSDJMQDNY-IIDMSEBBSA-N 298.430 3.822 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccc(CC(=O)O)cc2)C1 848415300 YYJNUISOAAXPMP-TZMCWYRMSA-N 274.364 3.538 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H]1CC12CCC2)c1ccc(F)c(F)c1 681246232 SGNWHNXXNOLOOP-IUODEOHRSA-N 291.341 3.888 30 20 CHED Cc1ccc(NN=Cc2ccccc2C(C)C)nc1 848405606 QTUGVQRVIXIRKL-UHFFFAOYSA-N 253.349 3.959 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCCC1CCC1)CC2 595078858 GLCAVDWROBAYSX-QGZVFWFLSA-N 254.377 3.715 30 20 CHED N#Cc1ccc(/C=C2\Cc3c(F)ccc(F)c3C2=O)s1 749589746 JBDGIOFUMUQWDO-VMPITWQZSA-N 287.290 3.720 30 20 CHED CCC(=NNc1nc(O)c2ccccc2n1)[C@H]1CC1(C)C 841628905 DXHPEILKLYGOAI-LLVKDONJSA-N 284.363 3.559 30 20 CHED CC#CCOC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 745352713 RMSDDUHYFDXFOI-LJQANCHMSA-N 292.378 3.970 30 20 CHED CCC/C(C)=C/C(=O)OCc1cn2ccccc2c1C#N 920692903 MSGYARGDPXPOCA-UKTHLTGXSA-N 282.343 3.601 30 20 CHED C=C[C@@H](OC(=O)CCC(C)(F)F)c1ccccc1 851452018 GODFWOKUXSPDHX-GFCCVEGCSA-N 254.276 3.892 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCCCc1ccc(O)cc1 684999459 WEWOVBPLRWJXGP-MRXNPFEDSA-N 289.419 3.966 30 20 CHED C=C(C)CCc1noc([C@H]2CCN(c3ccccc3)[C@@H]2C)n1 685384968 MQQPJPJSISHFMO-ZBFHGGJFSA-N 297.402 3.961 30 20 CHED Cc1cccc2c1[C@@H](NCc1ccc(OCC#N)cc1)CC2 925366225 FFLYZXBKNYHPQT-SFHVURJKSA-N 292.382 3.675 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(Cl)c2ncccc12 682415237 NEKIAJZRRXNFAB-UHFFFAOYSA-N 289.766 3.928 30 20 CHED CN1CCc2cc(/C=C3/CCc4sccc4C3=O)ccc21 751536466 UUBRAVNHHDEUPF-KAMYIIQDSA-N 295.407 3.953 30 20 CHED O=C(O)c1ccc(/C=C2\Cc3c(Cl)cccc3C2=O)cc1 921263664 IJAFHTMJSARFRE-XYOKQWHBSA-N 298.725 3.861 30 20 CHED CC(C)c1ncc(C=NNc2cc(F)cc(F)c2)s1 758372165 JSPGTLYLDFGMBF-UHFFFAOYSA-N 281.331 3.991 30 20 CHED Cc1cccc2ncc(/C=C/C(=O)c3cc(F)cc(F)c3)n12 755707138 XQJBLDQMMDIISR-AATRIKPKSA-N 298.292 3.817 30 20 CHED C#CCOc1ccccc1NCc1cc(COC)cs1 850252303 PQMMITGGFYGFDS-UHFFFAOYSA-N 287.384 3.519 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(CC)CCC#N 750008651 WWCWONJVEBQEBA-CQSZACIVSA-N 252.402 3.745 30 20 CHED COc1ccc(O)c(C=Nc2ccc(F)cc2Cl)c1 920942907 UADUFWYZKNVUKV-UHFFFAOYSA-N 279.698 3.944 30 20 CHED N#Cc1ccc(C=NOc2ccccc2C(F)(F)F)o1 754709564 KQHJQDALHOCBRE-UHFFFAOYSA-N 280.205 3.583 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1noc(-c2ccccc2)n1 925273335 FIIZAGNALCHENX-QWHCGFSZSA-N 298.390 3.716 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1C)CO2 750907640 YIKFUVYMZCKZRR-MDWZMJQESA-N 298.313 3.801 30 20 CHED CCC(=NOc1ccccc1C(F)(F)F)c1cnn(C)c1 754712438 OETRCNUYNGNKLM-UHFFFAOYSA-N 297.280 3.632 30 20 CHED N#C[C@H](OC(=O)c1cnc(F)c(Cl)c1)C1CCCCC1 924233533 QTTMTOHNGHBRHH-LBPRGKRZSA-N 296.729 3.503 30 20 CHED Oc1nc2ccccc2cc1/C=N/Cc1ccc(F)c(F)c1 920387961 WTKOSRVLWAMAIA-KEBDBYFISA-N 298.292 3.838 30 20 CHED N#CCCCCOC(=O)c1cccc(C(F)(F)F)c1F 750977518 ITCRMJIKGAFRJY-UHFFFAOYSA-N 289.228 3.695 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(CC)[C@H](C)C#N)cc1 856075598 OFKOAAVUNZHJRR-QWHCGFSZSA-N 258.365 3.574 30 20 CHED Cc1ccnc2[nH]c([C@H](C#N)C(=O)C[C@H](C)CC(C)C)nc12 750724498 RTHSORBVUVEVLE-DGCLKSJQSA-N 298.390 3.515 30 20 CHED Clc1cccc(Cl)c1C=NO[C@@H]1CCCCO1 755813408 GCGOTZIGDYPUIR-GFCCVEGCSA-N 274.147 3.871 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1csc(C(C)(C)C)n1 851209571 HGBJCMYJAXJHRH-JTQLQIEISA-N 294.420 3.926 30 20 CHED Cc1cc(C)nc(NN=C[C@H]2CCCC(C)(C)C2)n1 752712606 AIMWLRWPPBFAIO-ZDUSSCGKSA-N 260.385 3.708 30 20 CHED COc1cccc(/C=C/C(=O)c2ccco2)c1OC(F)F 762303348 FFWILQHOVRSZGF-BQYQJAHWSA-N 294.253 3.786 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1CCCSCC#N 932278500 PSZACYIYQCTYTL-WBVHZDCISA-N 288.460 3.901 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(C#N)s1 769841025 RUNJRIPNVKLCMI-UHFFFAOYSA-N 273.336 3.903 30 20 CHED CCC1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 768932067 WSIVDMAJAJMZMG-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C#CCCc1noc(CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 762012166 VEQQSNGGEFAVCD-RRFJBIMHSA-N 290.407 3.613 30 20 CHED N#CC1(OC(=O)CSc2ccc3ccccc3c2)CCC1 762099343 YUGVBRILLHEULW-UHFFFAOYSA-N 297.379 3.921 30 20 CHED C#CCCc1noc([C@H](C)Oc2ccc(Cl)c(C)c2)n1 762016721 UYINHLFOMRAXKW-NSHDSACASA-N 290.750 3.737 30 20 CHED Cc1ccc(C=NNc2cccc(Cl)c2F)cn1 764905473 WTUITSTVDWRWJX-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCO[C@H]1CCCC1=NNc1nc(C(F)(F)F)cs1 766456349 ZQRANWHFCPWADX-QMMMGPOBSA-N 293.314 3.519 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H](F)c1ccccc1 769312062 GQTMAKMOGTYIKH-INIZCTEOSA-N 283.302 3.621 30 20 CHED C=C(CC)COC(=O)c1ccc(Cl)nc1C(F)(F)F 769197811 MQKIMUDVACRUOV-UHFFFAOYSA-N 293.672 3.877 30 20 CHED O=[N+]([O-])c1cccc(C=NNc2c(F)cccc2Cl)c1 769827360 UQHORXGGHGUYSE-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C[C@H](C=NNCc1ccc(C#N)cc1)CCc1ccccc1 769822340 ZCQMOEIBCFKBOP-INIZCTEOSA-N 291.398 3.903 30 20 CHED C#CCN[C@@H](CCC)c1cccc(C(F)(F)F)c1 764600454 YXIPMXYRTWOUOX-ZDUSSCGKSA-N 255.283 3.769 30 20 CHED C#CCCCCCc1nc([C@@H](C)SCC)no1 762322079 ATNVVLUEKURHEI-LLVKDONJSA-N 252.383 3.620 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccnc(Cl)c1 779461079 UUMANRZUCSMMCE-OWOJBTEDSA-N 294.719 3.601 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccnc3ccccc23)cn1 776433911 MWXUCBNRMQJYST-BQYQJAHWSA-N 291.354 3.908 30 20 CHED C#CCCCN[C@H](c1ccccc1OC)C1CCCC1 774444612 UINWGKTUFBVFCR-SFHVURJKSA-N 271.404 3.930 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C#N)c(F)c2)ccc1C 773143193 PLMAMLIYHQPKAE-VMPITWQZSA-N 295.313 3.911 30 20 CHED C=CC[C@H](C(=O)OCc1ccccc1C#N)c1ccccc1 778419195 WHNWTMWPKHRAKY-SFHVURJKSA-N 291.350 3.961 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CC[C@@H](SC)C1)c1ccccc1 777696613 YGPYYPIXOYPNHM-XHSDSOJGSA-N 289.444 3.747 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 770060414 VNJLAHGIMALDCA-CYBMUJFWSA-N 290.366 3.743 30 20 CHED CC(C)(C#N)OC(=O)CCc1cccc2ccccc12 870244395 ZMVBLHOCGIZTNQ-UHFFFAOYSA-N 267.328 3.618 30 20 CHED CSc1ccc(NC(=O)Cc2ccccc2CC#N)cc1 776754488 VZQVRHWCRUVETI-UHFFFAOYSA-N 296.395 3.656 30 20 CHED N#C[C@@H](OC(=O)C=C1CCCCC1)C1CCCCC1 776379849 ZKYWCWQNJFXTCA-OAHLLOKOSA-N 261.365 3.893 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H](CC)c1ccccc1 775106309 GYVMOYXTLHOKBI-HNNXBMFYSA-N 297.354 3.955 30 20 CHED Cc1cc(C#N)ccc1N[C@@H](C)C[C@H](O)c1cccs1 1120033825 UDSDGMLAEJKGIJ-WFASDCNBSA-N 286.400 3.852 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 1121252953 KCSRWRAJMSHUIE-QLFBSQMISA-N 290.794 3.594 30 20 CHED c1ccc2nc(NN=C3CC4(CCC4)C3)ccc2c1 772831441 VMQGDJMWJNBFCQ-UHFFFAOYSA-N 251.333 3.967 30 20 CHED COc1c(F)cc(NCc2cccc(C#N)c2F)cc1F 775338415 LVMPJAHWZQDYRQ-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=C[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 1123663153 QMHRFFBKLGJDKE-UWWQBHOKSA-N 282.387 3.545 30 20 CHED C=C(Cl)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 787136626 GFIMQUAXHIJGCA-HTQZYQBOSA-N 277.172 3.801 30 20 CHED N#Cc1c(Cl)nsc1NCC(F)(F)c1ccccc1 788860612 FNXUMPWJUAKJBK-UHFFFAOYSA-N 299.733 3.872 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@H]1CCC(C)(C)C1 781684844 QHLCKMBTQXXOOP-LBPRGKRZSA-N 289.350 3.603 30 20 CHED Clc1csc(C=NNc2cnc3ccccc3n2)c1 782219778 GYSHXLIVMICZRI-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C[C@H](C=NNc1ncncc1Cl)CCc1ccccc1 780282985 SUUHSUYIFITANW-LBPRGKRZSA-N 288.782 3.797 30 20 CHED CO[C@H](C(C)=NNc1ccccc1C(=O)O)c1ccccc1 782177023 LPKRBBBERGQLHF-MRXNPFEDSA-N 298.342 3.560 30 20 CHED C=CCCCCCOC(=O)c1cn2ccc(C)cc2n1 782541788 MYJCYQGBBZGLDH-UHFFFAOYSA-N 272.348 3.546 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)C)c(F)c1Cl 789911135 JTRSVUBDPIOYDV-UHFFFAOYSA-N 296.773 3.799 30 20 CHED C=C(C)CCOC(=O)c1cnn(C2CCCCC2)c1C 781458553 GZEMPQSEUHBVDL-UHFFFAOYSA-N 276.380 3.820 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H](CCC)C2)CCCCC1 788233824 ZCHHUIIEXKLYCD-MRXNPFEDSA-N 275.436 3.999 30 20 CHED CC[C@H]1CCCC[C@H]1OCC(=O)OCCCC(C)(C)C#N 784741078 LHZSMDQRQRYAFR-LSDHHAIUSA-N 295.423 3.845 30 20 CHED Cc1cccc(NC(=S)N2CCC[C@@](C)(C#N)C2)c1C 783773441 LBPNKYFCXCHVMH-INIZCTEOSA-N 287.432 3.626 30 20 CHED CCc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)s1 780187487 VEZAYRDDVLNFCC-PKNBQFBNSA-N 270.353 3.839 30 20 CHED N#C[C@@H]1CCCN(c2ccnc3c(Cl)cccc23)C1 895649918 FVQOGLPTVVAIJW-NSHDSACASA-N 271.751 3.628 30 20 CHED CCCC[C@H](CC)CNC(=S)N1CCC(CC#N)CC1 781546044 ALEPJTQZKGGLJU-AWEZNQCLSA-N 295.496 3.703 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccccc1COc1ccccc1 781141564 LPARWWCZRXZPCW-HNNXBMFYSA-N 295.338 3.725 30 20 CHED CC[C@@H](C)C[S@@](=O)CCCCC1(C#N)CCC1 899287423 UXRADGKVOICHCT-DYVFJYSZSA-N 255.427 3.645 30 20 CHED C#CC[C@H](OC(=O)c1cc2ccsc2[nH]1)C(C)(C)C 781556419 COLUWGJMEYARBJ-LBPRGKRZSA-N 275.373 3.824 30 20 CHED CC(=NNc1ccc(Br)c(C)c1)[C@@H]1CCCO1 783833211 KZZZSXFCXNWVRG-ZDUSSCGKSA-N 297.196 3.724 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 15603582 CNNYKRUHBZYWAH-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CN(c1snc(Cl)c1C#N)[C@H]1CCC(C)(C)C1 795271205 SLHOMBWBKFQGSU-QMMMGPOBSA-N 269.801 3.683 30 20 CHED CCc1cccc(C)c1NN=C(C)c1ccc(O)cc1O 799492159 MWERQRACNZZIRE-UHFFFAOYSA-N 284.359 3.805 30 20 CHED C=CC(C)(C)Cc1nc([C@H]2CCCCS2)no1 896161366 FWXJINMOFHISCT-SNVBAGLBSA-N 252.383 3.783 30 20 CHED Cc1cc(/C=C2/CCc3ccc(O)cc3C2=O)cc(C)c1O 794959959 GZANPRGVIKLTMA-DHDCSXOGSA-N 294.350 3.927 30 20 CHED O=C(/C=C\c1cccc(Cl)c1)c1ccnc(F)c1 794721045 VLGKRVCIDXUSFP-PLNGDYQASA-N 261.683 3.770 30 20 CHED COc1ccc2cc(C=NNc3ncccc3F)ccc2c1 794990560 PCNNYYFFSXVXDV-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C[C@H](NC[C@@H]1CCC(F)(F)C1)c1ccc(OCC#N)cc1 797585647 KKKVEQQCIDNPGF-QWHCGFSZSA-N 294.345 3.675 30 20 CHED COc1cccc(C=NN[C@@H](C)c2ccccc2)c1F 799877205 QIMILHOANUQQQG-LBPRGKRZSA-N 272.323 3.519 30 20 CHED O=C(/C=C/c1c(F)ccc(O)c1F)c1ccsc1 794935795 UREBFGQSGYDHPY-HNQUOIGGSA-N 266.268 3.628 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(C(F)F)cc1 794936173 WKEXLIRCFQWZJK-TWGQIWQCSA-N 290.313 3.871 30 20 CHED C[C@@H](NN=C/C=C\c1ccc(F)c(F)c1)C(C)(C)C 793113562 AYCYAODYZMTTMB-INVXWIGMSA-N 266.335 3.988 30 20 CHED Cc1cc(CN2CCn3c(Cl)ccc3[C@@H]2C)ccc1C#N 794438772 YODZTUBSJRQYMG-ZDUSSCGKSA-N 299.805 3.898 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H]1Cc2ccc(F)cc21 796075732 RECMQNVXROMRFQ-HNNXBMFYSA-N 289.350 3.729 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCSC(C)(C)C 798551789 WCBAPQXDBJYVIU-GFCCVEGCSA-N 257.443 3.769 30 20 CHED O=C1/C(=C/c2c(F)ccc(O)c2F)Cc2ccc(F)cc21 794941527 QKWHLDNEKNZIJV-RMKNXTFCSA-N 290.240 3.632 30 20 CHED N#Cc1ccc(OCc2ccc(F)cc2F)c(F)c1 134312579 PGGSOTGSGPTEJT-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CCc1ccc([C@H](C)Nc2ccc(OCC#N)cc2)o1 1319974503 QOAHCVYHMMFWER-LBPRGKRZSA-N 270.332 3.917 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Br)s1 393819299 QRUJZRZNMFKBGG-QMMMGPOBSA-N 288.210 3.595 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(-c2cccs2)s1 1325493418 CCBNTUROHUWSMA-SNVBAGLBSA-N 290.413 3.899 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc2c(c1)CCC2 1320866299 VGOOEHVAQLBFKU-RQZCQDPDSA-N 286.334 3.540 30 20 CHED C=CC[C@@H](NC[C@@H](C)c1cccc(Cl)c1)C(=O)OCC 1320765786 DMJSFTCEZVTELA-IUODEOHRSA-N 295.810 3.541 30 20 CHED Cn1cc(-c2ccc(C=NN[C@@H]3CCCC3(C)C)cc2)cn1 1325012794 UYHORNWXPDOHGN-QGZVFWFLSA-N 296.418 3.589 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1320706648 KQKQXCWEQGHESO-PWSUYJOCSA-N 296.773 3.641 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(C3CC3)cc2)C1 590959824 PNFUDXKCHSWBFF-KRWDZBQOSA-N 254.377 3.690 30 20 CHED CC(Cc1ccccc1Cl)=NNC1CCCC1 1323151567 IIJWGLZFDCBVMM-UHFFFAOYSA-N 250.773 3.791 30 20 CHED C[C@@H](CC#N)N[C@H](C)c1ccc(Cl)c(Cl)c1 68607788 ONIQGVUYDYMXPQ-DTWKUNHWSA-N 257.164 3.946 30 20 CHED Cc1nc(N2C[C@H](C)C(F)(F)[C@H](C)C2)c(Cl)cc1C#N 599118428 NHSBRMAPUVIGAS-DTORHVGOSA-N 299.752 3.643 30 20 CHED Cc1c(C=NNCc2ccc(F)cc2)n(C)c2ccccc12 1330310020 DHPVLUNTWNKMGJ-UHFFFAOYSA-N 295.361 3.750 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C 695866436 YVIIATOPFHYAIZ-NUJGCVRESA-N 299.462 3.567 30 20 CHED COc1ccc2nc(SCCCC(C)(C)C#N)[nH]c2c1 87609104 ABLVINDKCVBOAX-UHFFFAOYSA-N 289.404 3.994 30 20 CHED CCCCCCCCN(C)Cc1ncc(Cl)n1C 778986552 ICTQJHLEBXJNMW-UHFFFAOYSA-N 271.836 3.866 30 20 CHED C=C(CC)C(=O)NCc1ccc(OC2CCCC2)cc1 1263793819 DZOLRXMFMBNPOG-UHFFFAOYSA-N 273.376 3.590 30 20 CHED CCc1cccc(N(C)CCOc2cccc(C#N)c2)c1 1194921601 CRVKMEPAFUUGSU-UHFFFAOYSA-N 280.371 3.636 30 20 CHED CCOc1ccc(C#N)cc1NCc1cccn1C1CC1 1261255299 SSYNVESEKGGWPR-UHFFFAOYSA-N 281.359 3.705 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(NC(=O)OCC)cc1 1342795160 AJPAFMNKAFULKS-GFCCVEGCSA-N 290.363 3.796 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)CC/C=C/c1ccccc1 1344325853 PTEMBDIFJIMCJA-VGZDNEPHSA-N 293.370 3.573 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)Cc1cccc2ccccc12 1349907040 NMRPESVYKYPNOD-INIZCTEOSA-N 280.371 3.533 30 20 CHED C=C[C@H](C(=O)N1CCC[C@@H]1c1cccnc1)c1ccccc1 1518821945 TWONVDMXZCWUOJ-ZWKOTPCHSA-N 292.382 3.715 30 20 CHED N#Cc1cn(C/C=C/c2ccccc2)c(=O)c2ccccc12 1459175812 XHGCFXSGKREQNO-RMKNXTFCSA-N 286.334 3.587 30 20 CHED Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(C#N)s1 1524590087 VTXAUDIDRHWRAK-UHFFFAOYSA-N 296.395 3.830 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2cc(C#N)c(F)cc2F)C1 1535868721 WIEBETQYKPICRC-URLYPYJESA-N 292.329 3.847 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2ccc(F)c(Cl)c2)c1 1602549818 BPGQAXSKSKPSMU-DUXPYHPUSA-N 294.665 3.666 30 20 CHED Cc1ccc([C@@H]2C[C@H]2Nc2ccc(C#N)c(C)n2)cc1 1612525751 WTIUHFWUNXKYQX-JKSUJKDBSA-N 263.344 3.538 30 20 CHED CC[C@@H](C#N)C(=O)NCC1(c2ccccc2)CCCCCC1 1626705725 XQTWCEGFMAPZJO-INIZCTEOSA-N 298.430 3.945 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2cc(F)cc(C#N)c2)C[C@H]1C 1624291865 VKHZTTNUPYPDLK-WZRBSPASSA-N 274.339 3.708 30 20 CHED CCC(CC)CN(CCC#N)c1cc(C2CC2)ncn1 1642527774 FECAZBJMHPNZLY-UHFFFAOYSA-N 272.396 3.510 30 20 CHED COc1cc(C#N)ccc1CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1645364205 CKHHTFUCAORBEX-SZVBFZGTSA-N 298.430 3.871 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1649407214 IIUHHVNGUNUBST-UHFFFAOYSA-N 293.370 3.807 30 20 CHED CC[C@H](NC[C@@H](C#N)CCC#N)c1ccc(C)c(F)c1 1642556661 SMOZKTHUBRPACS-CJNGLKHVSA-N 273.355 3.618 30 20 CHED C#Cc1ccc(NC2CCC(CC(=O)O)CC2)c(Cl)c1 1588517980 LPPXXGPBIZNKLF-UHFFFAOYSA-N 291.778 3.767 30 20 CHED Cc1ccc([C@@H]2CCN(CC3(CC#N)CC3)C2)c(C)c1 1658527216 JQBKTPPXWAHATJ-MRXNPFEDSA-N 268.404 3.787 30 20 CHED N#Cc1cnc(NC[C@@H]2CCC[C@@H]2C2CC2)c(Cl)c1 1655567175 OGQZIANLQJIMFM-QWHCGFSZSA-N 275.783 3.845 30 20 CHED Cc1cc(OCc2csc(Cl)n2)ccc1C#N 1652813775 SBAGOZIZNCINDO-UHFFFAOYSA-N 264.737 3.556 30 20 CHED C=C(Br)CN(C)[C@H](C)Cc1cccc(F)c1 1658943289 VQJRESDEYYBDNS-LLVKDONJSA-N 286.188 3.597 30 20 CHED COc1ccc(CN(CCC#N)CC(C)(C)C)c(C)c1 1658956030 PTNHETPYHMXCOF-UHFFFAOYSA-N 274.408 3.765 30 20 CHED C=C(C)CCSc1ccc(-c2nn[nH]n2)cc1Cl 1588424821 NVVULEJKOBSUON-UHFFFAOYSA-N 280.784 3.578 30 20 CHED CC(CCC(=O)O)=NNc1c(Cl)cc(F)cc1Cl 1592470552 MNGSHJQVSQKAEC-UHFFFAOYSA-N 293.125 3.785 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)NCC(C)(C)CC#N 1673509908 YOWRGBIVXBISEJ-AWEZNQCLSA-N 279.428 3.536 30 20 CHED N#Cc1ccc(CNCCc2ccc(Cl)cc2)cc1 20122568 TWXCMXPDNHDVNG-UHFFFAOYSA-N 270.763 3.544 30 20 CHED C[C@H](CNC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1671464102 UJGPQJSBCOEJMU-CQSZACIVSA-N 293.370 3.678 30 20 CHED CC(=NO[C@H](C)c1ccccc1)c1ccc(C(=O)O)cc1 1776083341 YZGGDKZTQUMVLX-CYBMUJFWSA-N 283.327 3.887 30 20 CHED C=CCc1cccc(CN2CC[C@]3(C(=O)O)CCCC[C@H]23)c1 1776187132 BUHHDUZSFKJVPI-PKOBYXMFSA-N 299.414 3.634 30 20 CHED CCCCCCC(C)=NNc1ccc(C(=O)O)nc1 1776069127 RHWFWCYXYAJNAE-UHFFFAOYSA-N 263.341 3.538 30 20 CHED Cc1cccc(C(=O)/C=C/c2csc(C(=O)O)c2)c1C 1777443839 OKROQARBMRCAJI-VOTSOKGWSA-N 286.352 3.959 30 20 CHED COc1cccc(SCc2ccc(C#N)cc2)c1 19847593 HSRNBFYVXIPKAN-UHFFFAOYSA-N 255.342 3.859 30 20 CHED N#CCOc1cc(F)ccc1NCc1cc(F)ccc1F 150770233 LWUVCHGRQLQRAW-UHFFFAOYSA-N 292.260 3.618 30 20 CHED C[C@@H](SCCCCC#N)c1cn(-c2ccccc2)nn1 161954356 CYEXRYAHUPLSQC-CYBMUJFWSA-N 286.404 3.755 30 20 CHED Oc1ccc2ccccc2c1/C=N\Cc1ccco1 169560657 YMYJMKRWCRBSQR-BOPFTXTBSA-N 251.285 3.758 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2ccccc2c(Cl)n1 158065113 FHAPNATXACQTMZ-JTQLQIEISA-N 274.751 3.583 30 20 CHED Cc1nnc(-c2cccc(NCc3ccc(C#N)s3)c2)o1 151000386 KHYKIJLNUOJRKL-UHFFFAOYSA-N 296.355 3.590 30 20 CHED N#CCCCN1C[C@H]2CCCC[C@@]21c1ccccc1 152523342 YWTKHGHJKIWSFK-IAGOWNOFSA-N 254.377 3.691 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 152964195 IYDKFAKCUJQCGB-MRXNPFEDSA-N 285.391 3.991 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)cc1 152686828 CGRAYHUFJKASLX-VMPITWQZSA-N 298.338 3.781 30 20 CHED C=CCCCCCN(C)C(=O)c1cc2c(s1)CCOC2 156743522 RJFQDHZPXNWITH-UHFFFAOYSA-N 293.432 3.639 30 20 CHED C=CCC[C@H](NCc1ccc(OC)nc1)c1ccccc1 159897923 HGRYMVFTBGEHTA-KRWDZBQOSA-N 282.387 3.887 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2C#N)C1 1119425913 PWJCYBYQPFIBEY-NXEZZACHSA-N 262.740 3.586 30 20 CHED C[C@@H](CCc1ccccc1)NCC(C)(C)CCC#N 229671582 ZDHXLAHTGBWVJF-HNNXBMFYSA-N 258.409 3.927 30 20 CHED C=CCSCCNc1ccc(C(F)(F)F)c(C#N)c1 231716602 NPJYDWDVYXSKBZ-UHFFFAOYSA-N 286.322 3.908 30 20 CHED CC[C@](C)(C#N)NC(=O)CCc1ccc(Cl)cc1Cl 127622075 TVBSSEIPSNSLKN-CQSZACIVSA-N 299.201 3.734 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCCCC1CCCC1 29526899 FNZVRQMEVHSINZ-UHFFFAOYSA-N 273.336 3.849 30 20 CHED N#Cc1cc(NCc2cccc(Cl)c2)ccc1[N+](=O)[O-] 157496633 JICIGDZRWRWIJO-UHFFFAOYSA-N 287.706 3.732 30 20 CHED N#Cc1ccc(Cl)cc1NCc1ccccc1[N+](=O)[O-] 36954171 YRSRFAPUZZOWOS-UHFFFAOYSA-N 287.706 3.732 30 20 CHED Cc1ccc(Cl)c(OCC(=O)c2ccc(C#N)cc2)c1 48022308 GYBBNVIVXAVIKS-UHFFFAOYSA-N 285.730 3.782 30 20 CHED CC1CC(C#N)(C(=O)NCc2c(Cl)cccc2Cl)C1 531564014 ZRCSMEZRNBIMPZ-UHFFFAOYSA-N 297.185 3.549 30 20 CHED COc1ccc(CNc2ccc(C#N)cc2)cc1Cl 86583607 PNURSHPNKAVDGN-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](Nc1ncccc1C#N)C2 341912380 DYFJOWAOHIFVMZ-ZENOOKHLSA-N 255.365 3.580 30 20 CHED C=C[C@@H]1CCCCN1c1ccc(Br)c(C)n1 486470137 WWQVQRWUPLMWCY-LLVKDONJSA-N 281.197 3.697 30 20 CHED C=CCC1(NCc2cccc(Br)n2)CCCC1 690714240 RUYYPOJYMZJSDG-UHFFFAOYSA-N 295.224 3.823 30 20 CHED CCCCCCC[C@H](C)NCC1([S@](C)=O)CCC1 393697615 CHOFDBRAGAWNSK-KSSFIOAISA-N 273.486 3.626 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 396778139 KNAOSXMNQAETCV-HNNXBMFYSA-N 260.356 3.708 30 20 CHED N#CCCC1CCN(Cc2ccc(Br)o2)CC1 399265832 FGYHEHITLPZEFL-UHFFFAOYSA-N 297.196 3.558 30 20 CHED CCCn1c(C)cc(C(=O)COc2ccc(C#N)cc2)c1C 3532696 JSJROJFBRVAXOH-UHFFFAOYSA-N 296.370 3.648 30 20 CHED C=CCNC(=S)N[C@@H](C)c1ccc(Cl)cc1Cl 7678825 WCPGDXZXRMZYBH-QMMMGPOBSA-N 289.231 3.705 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCC1CCCC1 106422565 FBZINEDITJWMJL-UHFFFAOYSA-N 264.413 3.936 30 20 CHED C[C@@]1(c2ccccc2)CCCN(CCCCC#N)C1 113265321 UYJAQCOMCPOFFU-QGZVFWFLSA-N 256.393 3.734 30 20 CHED CCN(C(=O)c1sccc1C#N)c1ccccc1C 52030110 RGTSOYSKAOZOPP-UHFFFAOYSA-N 270.357 3.595 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)Cc1ccc(O)cc1 105447891 PPGMMIZSGITIDR-HNNXBMFYSA-N 297.398 3.678 30 20 CHED C=CC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 110367301 ZVBUOHVHKZKQNY-CABCVRRESA-N 289.806 3.868 30 20 CHED CN(CCc1ccc(Cl)cc1)Cc1ccc(C#N)s1 179726512 XJEMKPOLBYPVLC-UHFFFAOYSA-N 290.819 3.948 30 20 CHED C#CCCCN[C@@H](C)c1sc(-c2cccnc2)nc1C 178058349 WBIMXSJNVBETCH-LBPRGKRZSA-N 285.416 3.578 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@H](C)c2ccccc2F)n1 109038231 UAAAVLXQMHWPBP-PWSUYJOCSA-N 288.347 3.571 30 20 CHED C=CCC(CC=C)C(=O)[C@H](C#N)c1nc2ccccc2o1 177197670 NYLRZKSVCFRAMH-ZDUSSCGKSA-N 280.327 3.772 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1 179410844 DPBDLQGQKPBVMI-FNORWQNLSA-N 287.746 3.778 30 20 CHED C=CCCCC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 175217354 WWYUVUPJEJAMKA-ZDUSSCGKSA-N 261.365 3.571 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 171153589 DZILIHQNUUZJNR-VXGBXAGGSA-N 290.411 3.671 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccccc1F 175852379 OVHMMFSINFZVHR-SECBINFHSA-N 275.304 3.677 30 20 CHED C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1cccs1 171085130 YSDCUBVOLSOUCK-VIFPVBQESA-N 289.335 3.642 30 20 CHED CCc1nc([C@@H](C)/N=C/c2ccccc2O)cs1 110129742 JUMJQLCVYKFEAW-XBLUXWHVSA-N 260.362 3.591 30 20 CHED N#Cc1cc(CSc2ccccc2C#N)ccc1F 177354481 SHKDAADHFLNUJB-UHFFFAOYSA-N 268.316 3.861 30 20 CHED C[C@H](Nc1ccc(Cl)c(C#N)n1)[C@@H]1COc2ccccc21 301871743 WYGJSWUEYVOVLT-JQWIXIFHSA-N 299.761 3.583 30 20 CHED CC(C)[C@@H](CNCc1ccc(C#N)cc1)Nc1ccccc1 118449178 ZHPLSFLBJOPSIQ-LJQANCHMSA-N 293.414 3.785 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 1275797559 WUDQGBKGYMFYGY-UHFFFAOYSA-N 295.729 3.644 30 20 CHED N#Cc1ccc(N[C@@H](CC2CCC2)c2ccccc2)nn1 302016104 CBDKZQKMMNCIMM-INIZCTEOSA-N 278.359 3.692 30 20 CHED CC/C(=C\C(=O)NCCCCC#N)c1cccc(Cl)c1 174292338 XSMVIFIKMIEBMQ-OUKQBFOZSA-N 290.794 3.943 30 20 CHED C#Cc1cccc(NC(=O)N2Cc3ccccc3C[C@H]2C)c1 174786793 ICMOKZAHDBYINY-CQSZACIVSA-N 290.366 3.647 30 20 CHED N#Cc1ccc(NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 301069923 FFSBPOHVLKMKGK-OAHLLOKOSA-N 295.361 3.636 30 20 CHED Cc1ccc(N/C(N)=N/CCSc2ccc(C)cc2)cc1 303785744 QRVRSTKKGXMSPI-UHFFFAOYSA-N 299.443 3.822 30 20 CHED Cc1cccc2ncnc(Oc3ccccc3C#N)c12 301479035 CPFNPVOITXNUQO-UHFFFAOYSA-N 261.284 3.602 30 20 CHED C=CCCCC(=O)Nc1ccc(-c2cnco2)cc1 177555421 REASUUNJFAIKPU-UHFFFAOYSA-N 256.305 3.636 30 20 CHED CCN(Cc1cccs1)Cc1ccc(C#N)cc1OC 179653325 DGXINIDLTSWWOS-UHFFFAOYSA-N 286.400 3.650 30 20 CHED C=CC[C@H](C)NCc1cc(OC)ccc1Br 128156018 WDEXYWRXGALCGW-JTQLQIEISA-N 284.197 3.512 30 20 CHED CCCCOc1ccc(CN(CC)CCC#N)cc1 127646013 BSKWFSFMIOPBFT-UHFFFAOYSA-N 260.381 3.601 30 20 CHED N#Cc1ccc(N2CCC(COc3ccccc3)CC2)cc1 301120018 XJJAIOKCICMXIZ-UHFFFAOYSA-N 292.382 3.854 30 20 CHED C[C@@H]1OCC[C@H]1SCc1ccc(Cl)cc1C#N 186650209 UMLNGNHAQDNQHF-TVQRCGJNSA-N 267.781 3.622 30 20 CHED CC[C@@H](Nc1ccc(C#N)nn1)C(C)(C)c1ccccc1 301924316 GOEJDWCDXBCQQP-OAHLLOKOSA-N 280.375 3.517 30 20 CHED COc1ccc(C#N)cc1CNc1c(F)cc(F)cc1F 129257802 NRUCUSPMGOKXPI-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CC(C)Oc1cc(CN(CCCCC#N)C2CC2)ccn1 122405256 UJVRCYQXBKEWIB-UHFFFAOYSA-N 287.407 3.527 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(F)cc(C(F)(F)F)c1 410129618 GAQJPURQXCSYCO-LBPRGKRZSA-N 289.272 3.929 30 20 CHED C=CCCS(=O)(=O)Nc1cccc(-c2cccs2)c1 120153408 MDUGGZZEUTZWKA-UHFFFAOYSA-N 293.413 3.733 30 20 CHED CCC[C@H](CC(C)C)C(=O)N[C@H](C#N)C(C)(C)C 410546302 MGZCEVMYKRSZJJ-CHWSQXEVSA-N 252.402 3.503 30 20 CHED N#Cc1ccnc(Oc2cc(F)ccc2F)c1Cl 236159318 DQTPHSUNAFMWHA-UHFFFAOYSA-N 266.634 3.677 30 20 CHED COc1cc(F)cc(CN(CCC#N)CC(C)(C)C)c1 449022149 HDPJNSBETDOJSZ-UHFFFAOYSA-N 278.371 3.596 30 20 CHED C=CCOc1ccc(C(=O)N2[C@H](C)CCC2(C)C)cc1 411085384 KRKDITFUTADNAT-CYBMUJFWSA-N 273.376 3.655 30 20 CHED CSCCCCCCNCc1ccc(C#N)s1 184178832 RVAOEJHKTMODDC-UHFFFAOYSA-N 268.451 3.633 30 20 CHED Cc1ccc(Br)c(OCC2(C#N)CCC2)c1 451074696 XZBVULFOEDTHMW-UHFFFAOYSA-N 280.165 3.830 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(Cl)c1F 130261348 JJCVOESKSLXCKO-UHFFFAOYSA-N 255.720 3.517 30 20 CHED N#Cc1ccc(CN[C@@H](C2CCCC2)C2CC2)cc1F 453396125 YEVFVESTFNISPJ-KRWDZBQOSA-N 272.367 3.756 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C)c1 33178845 OMRHOXXQZPNYDX-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C=CCN(CC=C)Cc1ccc(OCc2ccccn2)cc1 505897311 DHIPNDCTUHFOBD-UHFFFAOYSA-N 294.398 3.835 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 125744709 YXHAKKQRWNMDJM-LRDDRELGSA-N 292.810 3.573 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2C#N)cnn1C(C)(C)C 188875096 QWQKXRGVEIHLPC-MDZDMXLPSA-N 293.370 3.714 30 20 CHED C=CCC[C@H](NCc1ccnc(N2CCCC2)c1)C1CC1 120060176 KYUGYTLDHNJZSB-KRWDZBQOSA-N 285.435 3.516 30 20 CHED N#CCCN(CCCc1cccc(F)c1)Cc1ccccn1 182828445 XFNNKTMFHYOXQE-UHFFFAOYSA-N 297.377 3.569 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1nc2ccccc2s1 189473331 YQYTUYGNBCXKCV-OAHLLOKOSA-N 275.373 3.942 30 20 CHED CCCCCCC[S@@](=O)Cc1ccccc1OC 132908324 BATTVDPGUQBAKS-SFHVURJKSA-N 268.422 3.914 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(-c2nccs2)cc1 181520599 GUTDNZLMVDFQJW-UHFFFAOYSA-N 287.388 3.850 30 20 CHED CC#CCCCC(=O)N(CC)Cc1ccccc1Cl 185064098 YLYBOQHLQHXWRC-UHFFFAOYSA-N 277.795 3.882 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@H](C)c1n[nH]c(C)n1 411135965 NWSOXHYNEJZRJS-SECBINFHSA-N 296.827 3.577 30 20 CHED Cc1ncc(/C(O)=N/[C@@H]2CCCC[C@@H]2c2ccccc2)[nH]1 328799670 XUQOSTTXTDTKRW-HUUCEWRRSA-N 283.375 3.749 30 20 CHED C[C@@H]1CCC[C@@H](CNc2c(C#N)nnc3ccccc23)C1 226142500 BHMOHJYPXRZWNV-CHWSQXEVSA-N 280.375 3.740 30 20 CHED CCOC1(C(O)=Nc2cccc3ocnc23)CCCC1 328847441 ARJUQSRJUXRRBA-UHFFFAOYSA-N 274.320 3.765 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C)(C)C1 413833614 KSJGWWDRMNBEKO-INIZCTEOSA-N 286.419 3.615 30 20 CHED CN(C(=O)NCC1(CC#N)CC1)[C@H]1CCC[C@@H]1C(C)(C)C 419520100 LSCLYWKRKUSUHO-KBPBESRZSA-N 291.439 3.536 30 20 CHED Cc1cc2ccccc2nc1N1CCC[C@](C)(C#N)C1 612107292 CXVWCDOYYRUCFS-QGZVFWFLSA-N 265.360 3.673 30 20 CHED O/C(=N/[C@H]1CCc2c(O)cccc21)c1cccnc1C1CC1 329497643 FDDOFNQIRROKQW-HNNXBMFYSA-N 294.354 3.657 30 20 CHED CC(=O)c1csc(/N=C(\O)C(F)(F)c2ccccc2)n1 47248866 SEQPUZUDRWVYEQ-UHFFFAOYSA-N 296.298 3.726 30 20 CHED C[C@@]1(/N=C(/O)CCc2cc3ccccc3o2)CCCOC1 329141139 KAUYTALGCCSHGS-QGZVFWFLSA-N 287.359 3.891 30 20 CHED C[C@@H]1CN(c2ncc(C#N)cc2F)CC[C@H]1c1ccccc1 413174776 QIKYSLSETZEKRN-CZUORRHYSA-N 295.361 3.722 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1ccsc1 194615394 CKGYOOCJKJUTQM-DUXPYHPUSA-N 250.269 3.922 30 20 CHED N#Cc1ccc(OCc2ncc(-c3ccccc3)o2)c(F)c1 134309262 YHTUTQRSUZGLBB-UHFFFAOYSA-N 294.285 3.931 30 20 CHED C[C@@H](C#N)Nc1cc(Br)cc(C(F)(F)F)c1 83851957 VNAVWONTDQBOFI-LURJTMIESA-N 293.086 3.792 30 20 CHED C/C(O)=N/C1(c2noc(CCC3CCC3)n2)CCCCC1 329556570 HKXWKHCYJBNOIO-UHFFFAOYSA-N 291.395 3.938 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccccc2C)no1 424217452 LOFVPOVZIGRSPJ-UHFFFAOYSA-N 256.349 3.823 30 20 CHED Cn1cc(CN[C@H](c2ccc(Cl)cc2)C2CC2)cc1C#N 190690920 HWLXWAKBACCMFF-KRWDZBQOSA-N 299.805 3.791 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2ccc(F)cc2F)c1 87240612 VBAKXJJXCBNTCJ-UHFFFAOYSA-N 299.320 3.542 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cc(-c2ccccc2)no1 424586701 SJSBYCZJGYUUTD-UHFFFAOYSA-N 284.359 3.560 30 20 CHED Cc1nc(C)c([C@H](C)NCC(C)(C)CCC#N)s1 229692378 YSBFWHDRSCRAJR-JTQLQIEISA-N 265.426 3.741 30 20 CHED C#CCCCC(=O)Nc1ccc(Cl)cc1Cl 192039501 WFYMMUCLJLAYQC-UHFFFAOYSA-N 256.132 3.735 30 20 CHED C=CCC(CC=C)C(=O)NCCCc1c[nH]c2ccccc12 131734525 RDTHKBXKOAJFDL-UHFFFAOYSA-N 296.414 3.985 30 20 CHED C[C@H](/N=C(/O)c1snnc1C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 329784581 PIZOAXWTMIUURK-QSFUFRPTSA-N 291.420 3.545 30 20 CHED C=CCC1(C(=O)NCc2cc(-c3ccccc3)on2)CCC1 190987983 ZWGOQRLVWWTDNB-UHFFFAOYSA-N 296.370 3.704 30 20 CHED C=CCCCC(=O)N1CCC(c2ccc(F)cc2)CC1 81677925 BPNMDADKWUGRSU-UHFFFAOYSA-N 275.367 3.888 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCO[C@@H](C(C)C)C2)cc1 512573853 OMWCOXJUAFVAPC-SJLPKXTDSA-N 289.419 3.545 30 20 CHED N#Cc1ccc(Sc2ccc(F)cc2[N+](=O)[O-])cc1 48837473 ATAXAJADMYBIFJ-UHFFFAOYSA-N 274.276 3.757 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CCO2 193872058 FTGLQSHLOVOQML-SFHVURJKSA-N 292.382 3.734 30 20 CHED C=C(C)[C@H](CC(=O)N1C[C@H](C)c2ccccc21)OCC 339418616 FBQCYPPWCCBKFL-BBRMVZONSA-N 273.376 3.508 30 20 CHED Cc1ccsc1CN(C)CCCC1(C#N)CCOCC1 337124529 DCICUJSKENLWCC-UHFFFAOYSA-N 292.448 3.589 30 20 CHED Cc1sc(NC(=O)[C@H]2CCC(F)(F)C2)c(C#N)c1C 335708002 RQCYANRARNQEPV-VIFPVBQESA-N 284.331 3.611 30 20 CHED C[C@H](NC1CCC(F)(F)CC1)c1ccc(C#N)c(F)c1 335104629 VIGZAQOICUBLHM-JTQLQIEISA-N 282.309 3.926 30 20 CHED C[C@@H](CC(=O)N(C)c1ccccc1C#N)c1ccc(F)cc1 337858460 LYBMTPCSOSROAR-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED CC(C)[C@H](CNc1cc(C#N)ccn1)Nc1ccccc1 516577683 GMLKZOPNVZVLGV-INIZCTEOSA-N 280.375 3.502 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H](c2ccc(F)cc2)c2cccnc2)C1 424325961 LKIVNCAFUNYSDU-VHSSKADRSA-N 295.361 3.592 30 20 CHED C=CCCC(=O)N(c1ccc(Br)cn1)C(C)C 338663739 VFMVXCFFHVOZLI-UHFFFAOYSA-N 297.196 3.552 30 20 CHED C[C@H](C#N)C(=O)N1CC=C(c2cccc3ccccc23)CC1 334961474 GVWGUXWVVWMREE-CQSZACIVSA-N 290.366 3.615 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2C[C@H]3CCCC[C@H]3C2)cc1 335346792 NLOOUZCMQJPARH-IYBDPMFKSA-N 296.414 3.750 30 20 CHED CCC[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 425392605 BLRJFJJWIYIOCY-IMJJTQAJSA-N 285.391 3.519 30 20 CHED CC1(CNC2CCN(c3ccc(C#N)cc3)CC2)CCCC1 513703531 WXRDKMFGZLHODS-UHFFFAOYSA-N 297.446 3.697 30 20 CHED Cc1ccnc(NC[C@H]2CCC3(CCCCC3)O2)c1C#N 330098780 ZHHQUAIEABYYAS-CQSZACIVSA-N 285.391 3.556 30 20 CHED C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@@H]1c1ccccc1 437574236 AVZQFKPUSSWEDS-BEFAXECRSA-N 279.358 3.870 30 20 CHED N#CCc1cccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 333225706 XCSWFTVURIGPIF-HLLBOEOZSA-N 297.402 3.843 30 20 CHED C[C@H]1Cc2ccccc2N(C(=O)c2cccc(CC#N)c2)C1 336134227 QOFLIWJKNGKVFC-AWEZNQCLSA-N 290.366 3.592 30 20 CHED CCSc1cc(C(=O)Nc2ccccc2CC#N)ccn1 339175670 UKLQTAGRALBXGC-UHFFFAOYSA-N 297.383 3.512 30 20 CHED CCN(Cc1cc(F)cc(Br)c1)C[C@H](C)C#N 93938811 TWULXZOVRKSAIB-SNVBAGLBSA-N 299.187 3.570 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1c(C#N)cccc1C#N 436308037 BFJXXHYLEBRLBJ-QGZVFWFLSA-N 273.339 3.838 30 20 CHED C=CCC(C)(C)c1noc(C[C@H](C)c2ccncc2)n1 528201511 BPLWHRQNLBSQNQ-LBPRGKRZSA-N 271.364 3.665 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)CSCc1ccccc1 342045952 ZABAYACKIPQFJV-AWEZNQCLSA-N 277.433 3.590 30 20 CHED N#Cc1ccc(SCCOc2ccccc2C#N)c(F)c1 525116697 JJKDTCIHDBOMKB-UHFFFAOYSA-N 298.342 3.740 30 20 CHED C=CCCOCCCCC(=O)N1CCCC[C@H]1CC 342588885 QGHNVONTUFRXIM-OAHLLOKOSA-N 267.413 3.541 30 20 CHED Cc1cc(CN[C@H](c2ccccc2)C(F)F)ccc1C#N 433048501 NKIHNZJCSVLDIC-MRXNPFEDSA-N 286.325 3.963 30 20 CHED N#CCCNc1ccc2nc(C(F)F)sc2c1 520398943 KAAYQZORSJERPO-UHFFFAOYSA-N 253.277 3.559 30 20 CHED Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c(C)n1C1CC1 434438209 RHYWHLJBLDFDRP-MRXNPFEDSA-N 299.418 3.594 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H](CCC)OCC 529274082 LSBVNQBXDXRPSC-MRXNPFEDSA-N 275.392 3.949 30 20 CHED CCN(C(=O)CSC(C)C)[C@@H](C)c1ccc(C#N)cc1 603529432 WOYVQWWWQSICMX-ZDUSSCGKSA-N 290.432 3.609 30 20 CHED C[C@H](CN(C)c1ncc(C#N)cc1Cl)c1ccccc1 608974451 XDLBQKZVWFEGRK-GFCCVEGCSA-N 285.778 3.847 30 20 CHED CCC[C@]1(C)CCCN(C(=O)C(C#N)(CC)CC)C1 528710215 VTWXQSKZLVIYLH-OAHLLOKOSA-N 264.413 3.745 30 20 CHED N#CC1(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 343325870 NSUPTTNLFMAXSJ-INIZCTEOSA-N 297.789 3.718 30 20 CHED C=CCCOCCCCC(=O)N1[C@@H](C)CC[C@@H]1CC 343049823 INBCCPRCLZBGPL-GJZGRUSLSA-N 267.413 3.539 30 20 CHED C[C@@H](N(C)C(=O)C[C@@H](CC#N)c1ccccc1)C(C)(C)C 527243671 JCUNLBXSLVIKKE-GDBMZVCRSA-N 286.419 3.967 30 20 CHED C=CCCC1(C(=O)NCCCc2cccs2)CC1 527003113 PPCDPXQEYUCYGM-UHFFFAOYSA-N 263.406 3.543 30 20 CHED COc1cc(Cl)ccc1CNc1snc(C)c1C#N 342195523 BRFDMKSNTQNACZ-UHFFFAOYSA-N 293.779 3.597 30 20 CHED CC(C)(C)c1ccc([C@@H](NCC#N)C(F)(F)F)cc1 604484071 WTGUAZHFOWWAQR-GFCCVEGCSA-N 270.298 3.701 30 20 CHED CCc1cc2c(NCC(C)(C)C#N)nc(C)nc2s1 603330549 CMLZZEULVPJSTI-UHFFFAOYSA-N 274.393 3.524 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N[C@@H](C)CC#N)cc1 609987936 SPZJGJAVWJWAFD-KGLIPLIRSA-N 272.392 3.722 30 20 CHED C=CCOc1ccccc1CNC(=O)N[C@@H](CC)CCC 522053108 QRRUCBSBULYTAO-HNNXBMFYSA-N 290.407 3.629 30 20 CHED C=CC1CCN(C(=O)NC[C@H](C)c2cccc(C)c2)CC1 525492385 RTFKPMBXPBQLEI-HNNXBMFYSA-N 286.419 3.706 30 20 CHED C[C@@H](CCC#N)CN(C)[C@H]1CCCc2ccccc21 602436596 XHSJBNXHDHLQEW-YOEHRIQHSA-N 256.393 3.936 30 20 CHED CCc1ccc(C=NOCc2cccnc2Cl)cc1 255559858 YMWNTVLGEMRESL-UHFFFAOYSA-N 274.751 3.848 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(O)c2ccccc12)OCC 535205687 JHDCJHZALUNROC-QGZVFWFLSA-N 299.370 3.855 30 20 CHED C[C@H](NC[C@H](C)CCC#N)C(C)(C)c1ccccc1 602534340 SZCAPEKSTJISSG-CABCVRRESA-N 258.409 3.882 30 20 CHED COCCCC[C@H](Nc1ccc(C#N)nc1)c1ccccc1 359899807 MFCXOOSWRWVKFZ-SFHVURJKSA-N 295.386 3.923 30 20 CHED C=CCCC1(C(=O)N2CC3(CCC3)[C@H]2C(C)C)CC1 359192532 XEHBUXKEQWSZBE-CQSZACIVSA-N 261.409 3.770 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)s2)cc1C 449762433 IBPQQHWBIJHDHD-UHFFFAOYSA-N 270.401 3.869 30 20 CHED C=CCCC(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 534898622 MYQRMISEJMGLKD-UHFFFAOYSA-N 289.375 3.855 30 20 CHED C=CCCCCCN(C)C(=O)Nc1nc(C)c(C)o1 265824687 YRWSBKGZDQCYBC-UHFFFAOYSA-N 265.357 3.502 30 20 CHED C=C(C)CSCC(=O)N[C@H](CCC)c1ccccc1 357035163 DSHHPPHVBJTGPN-OAHLLOKOSA-N 277.433 3.953 30 20 CHED CC(C)(C)[C@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl 352582040 DAVZWGWPNOBIOF-CQSZACIVSA-N 290.794 3.862 30 20 CHED CCC(CC)CN(CCC#N)Cc1nc2c(s1)CCC2 611413629 JAVNNDWCVSIXGX-UHFFFAOYSA-N 291.464 3.784 30 20 CHED Cc1cc(C)c(CC(=O)Nc2ccc(C#N)cc2)c(C)c1 536940069 WJYBONPDOPUPMT-UHFFFAOYSA-N 278.355 3.665 30 20 CHED N#CCOc1ccc(CNC2(c3ccccc3)CCC2)cc1 264555193 MJBHUQQXTOMGAE-UHFFFAOYSA-N 292.382 3.758 30 20 CHED C=CCC1(NC(=O)c2coc(C3CCC3)n2)CCCC1 619110592 HAZSKSDIGYVWFA-UHFFFAOYSA-N 274.364 3.561 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 537199390 NYPYOPLNAGOYGA-IAGOWNOFSA-N 293.451 3.834 30 20 CHED CCC(=O)c1cc(Cl)ccc1OCCCC#N 533194646 IFTVWDUTGUUJJM-UHFFFAOYSA-N 251.713 3.615 30 20 CHED C=CCCC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C 618982101 SSLLVBQYLCOFTB-WBMJQRKESA-N 293.794 3.595 30 20 CHED COCCc1ccccc1NC1CCC(C)(C#N)CC1 449268986 KWVGBZZDTVNQAN-UHFFFAOYSA-N 272.392 3.760 30 20 CHED Cc1c(NC(=O)CC(C)(C)C#N)cccc1-c1ncco1 359158077 MXUANEMXARJJMZ-UHFFFAOYSA-N 283.331 3.528 30 20 CHED Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c(C)n1 611300382 XGWYNKHITVGCQA-UKRRQHHQSA-N 279.387 3.982 30 20 CHED C=CCCCC(=O)N(CC(F)F)c1ccccc1 267194384 DTXOWPRRSXMUSQ-UHFFFAOYSA-N 253.292 3.641 30 20 CHED CC(C)C(NC(=O)C[C@@H](CC#N)c1ccccc1)C(C)C 619440423 DRCZRNLRKGKIRT-MRXNPFEDSA-N 286.419 3.871 30 20 CHED N#Cc1ccc(CNC2(Cc3ccccc3)CCC2)cc1 532119934 CTAMTYYPJBSHQZ-UHFFFAOYSA-N 276.383 3.813 30 20 CHED Cc1cc(CNCC(C)(C)C#N)c(OC(F)F)cc1C 612585353 YURSJENIUNPRQZ-UHFFFAOYSA-N 282.334 3.544 30 20 CHED CC[C@@H]1CN(C(=O)[C@]2(C#N)C[C@H]2C)CC[C@H]1c1ccccc1 450017209 NGGPJZRMTKWNCQ-LFEHRJTNSA-N 296.414 3.578 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 456501989 ISWPGGJXPRTDMF-XJKCOSOUSA-N 293.432 3.687 30 20 CHED C=CCC1(CNC(=O)N2CCC(CF)CC2)CCCC1 455471963 ZIZOIHFJLALDNC-UHFFFAOYSA-N 282.403 3.514 30 20 CHED N#Cc1nnc2ccccc2c1Oc1ccc(Cl)cc1 610128586 ZXJTVQUZVOEIKZ-UHFFFAOYSA-N 281.702 3.947 30 20 CHED N#Cc1cccc(N[C@H]2CC[C@H](c3ccccc3F)C2)n1 360266562 LMBYUDRTZNTSMO-STQMWFEESA-N 281.334 3.841 30 20 CHED COc1cccc2c(NCC(C)(C)CCC#N)nccc12 450528769 QMLUHCZLTDJFNP-UHFFFAOYSA-N 283.375 3.985 30 20 CHED C=CC(C)(C)CNC(=O)Cc1cc2ccccc2s1 456121301 XCZJXZPUJPEITH-UHFFFAOYSA-N 273.401 3.772 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C2CC2)[C@@H](C)C2CC2)c1 455978780 CLQAAXZDZKHIPM-LBPRGKRZSA-N 283.375 3.662 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)C1(C#N)CCCC1 366956701 VVHAMLJMFKAIHG-WBVHZDCISA-N 296.414 3.865 30 20 CHED Cc1cccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)c1 619750023 TYXKCHOOSRDARS-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C=CCN(C)c1nnc(-c2ccccc2C)n1CC(C)C 549828633 NSTHEBXBHYONCC-UHFFFAOYSA-N 284.407 3.532 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)CC(C)C 450983374 QEBGKCRXATWMSS-CQSZACIVSA-N 265.397 3.585 30 20 CHED N#Cc1cccc(Sc2nnc(-c3ccccn3)s2)c1 361043618 FPSVYCZNVMLMOH-UHFFFAOYSA-N 296.380 3.623 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)cc1 271267849 BVSIWCZMYTUQTI-SCLBCKFNSA-N 298.361 3.563 30 20 CHED Cc1ccc(CCCNc2cnccc2C#N)c(C)c1 611280657 XSQGEZXGNHJWRJ-UHFFFAOYSA-N 265.360 3.615 30 20 CHED CC[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CCCO1 543994103 UIRMECBUHRFSQM-GFCCVEGCSA-N 298.308 3.582 30 20 CHED COC[C@@H](NCCCCC(C)(C)C#N)c1ccc(C)o1 278543372 AJDZHHRVWRHXFI-CQSZACIVSA-N 278.396 3.585 30 20 CHED C=CCSc1ccccc1C(=O)N(CC=C)CC=C 361450996 YDEDAFOVTDHLFH-UHFFFAOYSA-N 273.401 3.779 30 20 CHED C=CCC1(C(=O)Nc2cnn([C@@H](C)CC)c2C)CCC1 361312603 UPXAIISJNLWCOK-LBPRGKRZSA-N 275.396 3.847 30 20 CHED CCc1ccc(N(CC)C(=O)CC(C)(C)C#N)cc1 278191620 DZYSMUOSLVMYOQ-UHFFFAOYSA-N 258.365 3.542 30 20 CHED C[C@H]1CCC[C@H](CC(=O)NCc2ccc(C#N)c(F)c2)C1 456846006 ULSMUQAALKKFDZ-STQMWFEESA-N 288.366 3.530 30 20 CHED C=CC[C@H](C(=O)N1C[C@H]2CCCC[C@H]21)c1ccccc1 365791802 GXWTZEPEGUULAG-IXDOHACOSA-N 269.388 3.747 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cc(C)c(O)c(C)c2)no1 278112172 IUYGSNMAOAWPED-LBPRGKRZSA-N 288.347 3.713 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 451117174 UQALTMNZNVQADV-SNVBAGLBSA-N 275.323 3.961 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC(C)(C)C[C@H]2C)CC1 542700356 RUKZTHZWXMDGAX-WBVHZDCISA-N 278.484 3.831 30 20 CHED C=CCSCCNC(=O)N[C@H](C)c1c(C)cccc1C 546191140 DNFPNOYXOFVPLS-CQSZACIVSA-N 292.448 3.583 30 20 CHED CCCCCCCCCCNC(=O)CCc1ccncn1 277294777 STGKDCCVCXKVRA-UHFFFAOYSA-N 291.439 3.666 30 20 CHED C=C[C@H](Cc1nc(-c2cncc(C)c2)no1)c1ccccc1 545030803 OSJNCHJZIGIAIL-CQSZACIVSA-N 291.354 3.952 30 20 CHED C=CCCN(C)Cc1ccc(C)cc1Br 467367214 CAAHKAIAOVQLKM-UHFFFAOYSA-N 268.198 3.765 30 20 CHED N#CC1(c2nc(Cc3ccccc3F)no2)CCCCC1 273762974 QYXJUZMIHDNSJT-UHFFFAOYSA-N 285.322 3.525 30 20 CHED C[C@@H](C(=O)Nc1ccc(F)c(F)c1)c1cccc(C#N)c1 462291220 ATQKQCUJODEEPT-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C(F)(F)F)c(F)c1 626618329 PMOFFHQOSNPGAG-UHFFFAOYSA-N 290.260 3.884 30 20 CHED C=C(C)COCCN[C@H]1CCC[C@H]1c1ccccc1 540163070 KPXLTXHYXBNXKT-IRXDYDNUSA-N 259.393 3.505 30 20 CHED Cc1c(Cl)c[nH]c(=NCc2ccc(Cl)cc2)c1C#N 544067970 WKSYRQHVYBCSOK-UHFFFAOYSA-N 292.169 3.603 30 20 CHED C=CCC[C@@H](C)NCc1ccc(OC(C)(C)C)nc1 541739946 GXLWEFUUCHWVTG-CYBMUJFWSA-N 262.397 3.703 30 20 CHED C=CCC1(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CCCCC1 627659358 NAMNVEHCEQZZKV-RCCFBDPRSA-N 295.426 3.968 30 20 CHED Cc1n[nH]cc1C1CCN(CCCCC(C)(C)C#N)CC1 375349928 QYUIZSILVJMXRE-UHFFFAOYSA-N 288.439 3.618 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1nc(C(C)C)c(C)s1 281821105 VRADWBUIBHHYTN-GFCCVEGCSA-N 280.437 3.588 30 20 CHED Cc1cc(CNc2ccc([C@H]3CCOC3)cc2)ccc1C#N 550291380 CMPLTCRLBCDGEA-SFHVURJKSA-N 292.382 3.983 30 20 CHED N#Cc1nc(N2CCC=C(c3ccccc3)C2)ccc1Cl 553254325 XRYIZRODJUPXDN-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(F)cc1Cl 466366454 HTTYUVKGSGBRDL-JTQLQIEISA-N 270.735 3.955 30 20 CHED CC[C@](C)(C#N)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 286278735 CGDJVUNOFNYNQC-HDMKZQKVSA-N 284.403 3.639 30 20 CHED CSc1ccccc1[C@@H](C)NC[C@@H](C#N)CCC#N 283593412 SGXFBKVQWVDEED-CHWSQXEVSA-N 273.405 3.503 30 20 CHED N#Cc1ccc(NCC2CCC(C#N)CC2)cc1Cl 281547190 BUHLYUCXIICEQK-UHFFFAOYSA-N 273.767 3.954 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 555237102 NOPZMOCOLFNGNC-LSDHHAIUSA-N 299.418 3.596 30 20 CHED Cc1cc(CN[C@@H](C(C)(C)C)C(F)(F)F)ccc1C#N 555545389 ULWMPSXSQQZHPW-ZDUSSCGKSA-N 284.325 3.933 30 20 CHED C=C(C)COC(=O)c1cc(F)c(C(F)(F)F)cc1F 805594431 SPJLGVJMUCNESV-UHFFFAOYSA-N 280.192 3.717 30 20 CHED N#CCCCN(c1ccccc1)C1Cc2ccccc2C1 470965365 BXTRJBLVGUMFRZ-UHFFFAOYSA-N 276.383 3.964 30 20 CHED CN(CCC#N)C(=O)C1(c2cccc(Cl)c2)CCCC1 298439482 HUFUEKIXSLVHJG-UHFFFAOYSA-N 290.794 3.524 30 20 CHED CC[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 294513360 SQTKMMJYNZPELC-DNVCBOLYSA-N 296.414 3.770 30 20 CHED N#Cc1ccncc1C(=O)Nc1cccc(Cl)c1Cl 564044964 GVRROTHJAHRKLM-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1COc2cc(C)c(C)cc21 472393544 BODDLHAXBDBRLB-GOEBONIOSA-N 287.403 3.640 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)N(C)[C@@H](C)C#N)c1C 297951713 ULWRXXARLJFKLJ-NSHDSACASA-N 282.343 3.548 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C)cc2F)cc1 564214826 WHFBVTZMBGGMLK-QGZVFWFLSA-N 296.345 3.691 30 20 CHED CC#CCCCC(=O)NC[C@H](Cc1ccccc1)C(C)C 470735717 ZRJLGOWYLYHDBX-SFHVURJKSA-N 285.431 3.811 30 20 CHED CC(CCC1CC1)=NNc1ccc([N+](=O)[O-])cc1C 807990170 WEDBVBLEGJGHSP-UHFFFAOYSA-N 261.325 3.881 30 20 CHED CCCCCCCN1CC[C@@H](N2CCCC2)[C@H]1C 805766906 BVZLXNXCVLZRKD-HZPDHXFCSA-N 252.446 3.515 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C2CC2)nc1C 298064195 RRCZURAYVKGMTA-UHFFFAOYSA-N 299.418 3.812 30 20 CHED C#C[C@@H](NC(=O)Cc1cccc(Cl)c1Cl)C(C)(C)C 807878588 WCRMLJUQPWFGTK-GFCCVEGCSA-N 298.213 3.700 30 20 CHED C=CCCCCNC(=O)CSc1ccc(Cl)cc1 471691874 IGYZIYMUNAAVPM-UHFFFAOYSA-N 283.824 3.905 30 20 CHED COc1cccc2c1CCCN2Cc1ccc(C#N)s1 567743046 BLALEVRXMKYIGO-UHFFFAOYSA-N 284.384 3.581 30 20 CHED CCOC1CC(CCNc2nc(C)c(C#N)cc2Cl)C1 292681681 RAGZWUPLDUNDKJ-UHFFFAOYSA-N 293.798 3.532 30 20 CHED N#Cc1cccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 292853464 ZLJNSNCNODPWDA-SAABIXHNSA-N 280.346 3.733 30 20 CHED C=CCCCCCCNC(=O)c1cc2occc2[nH]1 805219404 JJOFXEPTTDCMCE-UHFFFAOYSA-N 260.337 3.627 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCC2(CCCCC2)CC1 470781548 YGGFIXCIPRALKX-INIZCTEOSA-N 293.451 3.931 30 20 CHED C#Cc1ccc(CN[C@H](COC)c2ccc(Cl)cc2)cc1 809656518 XSRUHXOXAKCFDE-GOSISDBHSA-N 299.801 3.799 30 20 CHED CC(C)(C#N)CCSCc1cc(Br)no1 292138801 UAJSNBSLGRSORY-UHFFFAOYSA-N 289.198 3.610 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC1(CCC)CC1 471071858 LFIDGBFIZADNOE-UHFFFAOYSA-N 286.419 3.965 30 20 CHED C=CCOc1ccc(CNC2CCC(COC)CC2)cc1 296951066 TYWBTAGUECJTHJ-UHFFFAOYSA-N 289.419 3.546 30 20 CHED C#CCCCCC(=O)NC(C)(C)c1ccccc1C 293818649 CQWUBMJYDYRJMD-UHFFFAOYSA-N 257.377 3.540 30 20 CHED C=CCC[C@H](C)Nc1cc(F)c(N2CCOCC2)cc1F 560570475 QCCHZIJXDSIJQU-LBPRGKRZSA-N 296.361 3.568 30 20 CHED C#C[C@H](C)NCc1cc(Cl)c(OCCC)c(OCC)c1 809683991 UTTJVLIXQJVUQY-LBPRGKRZSA-N 295.810 3.639 30 20 CHED C#CCCCS[C@H](C)C(=O)NCCC1=CCCCC1 808363387 FHRMZZOEURNAQC-CQSZACIVSA-N 279.449 3.528 30 20 CHED CCOC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)C(C)C 560001857 COLBVOPIOJWTHO-IRXDYDNUSA-N 274.408 3.660 30 20 CHED N#Cc1ccc(CN2CCCCC[C@H]2c2ccco2)nc1 562629656 KREDMDHRYQEAPN-INIZCTEOSA-N 281.359 3.664 30 20 CHED Cc1ccc(C(C)(C)NCc2ccc(C#N)c(C)c2)cn1 488256073 AGFNFLJZVRQOOX-UHFFFAOYSA-N 279.387 3.595 30 20 CHED N#CCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 485859056 LUVLSJLCQIRORH-BBWFWOEESA-N 254.377 3.558 30 20 CHED C=CCC1(C(=O)N(C)CCOC(C)(C)C)CCCCC1 649183879 NMXBMBXJAQYAOA-UHFFFAOYSA-N 281.440 3.787 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(C(C)(C)C)cc1 480512975 HCGJTVHIPCBSOZ-AWEZNQCLSA-N 286.419 3.535 30 20 CHED Fc1cc(NN=C2CC(c3ccccc3)C2)ccn1 814901937 BUJFQLVBNQQKDX-UHFFFAOYSA-N 255.296 3.566 30 20 CHED Cc1ccc(Oc2ccccc2)c(NC(=O)NCCC#N)c1 488964226 YKIMURPYFUBJDN-UHFFFAOYSA-N 295.342 3.823 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCc2ccccc21 573057990 KCRZJDVOMGFVNP-KZNAEPCWSA-N 299.414 3.504 30 20 CHED C=C(CNC(=O)[C@H]1CCc2ccccc2C1)c1ccccc1 650033343 UWYSMBOKXUNKLR-IBGZPJMESA-N 291.394 3.621 30 20 CHED CCC(=NNC[C@@H](C)C#N)C12CC3CC(CC(C3)C1)C2 811645562 RMDSNAOTOWAFRE-ORVZXPRGSA-N 273.424 3.718 30 20 CHED C=CCC[C@H](C(=O)NC1(C(F)(F)F)CC1)c1ccccc1 655093635 OJGZAJYLJWICSL-ZDUSSCGKSA-N 297.320 3.948 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)c1c(F)cccc1F 489905100 FBMDSKRZNCWNFV-NSHDSACASA-N 281.346 3.787 30 20 CHED C=C(C)CCN1CCC(Cc2ccccc2C(=O)O)CC1 575332298 TYTMYRSSGOMVNE-UHFFFAOYSA-N 287.403 3.606 30 20 CHED CC(C)(C)[C@H]1CCCN(c2c(C#N)nnc3ccccc23)C1 481061191 OPQIZWSTTZVPQQ-ZDUSSCGKSA-N 294.402 3.764 30 20 CHED Cc1ccc2ncc(C#N)c(N3CC[C@@H](C4CC4)C3)c2c1 488102327 WGENNHDCTJVXSD-CQSZACIVSA-N 277.371 3.651 30 20 CHED C=CCOc1ccc(/C=C/c2ncccc2C#N)cc1OC 486077594 NTSRZZSSQLZTTC-SOFGYWHQSA-N 292.338 3.697 30 20 CHED C(=NNc1cncnc1)c1ccc(C2CCCC2)cc1 812229262 BWVMRIOOEJSKNC-UHFFFAOYSA-N 266.348 3.580 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(OC(C)C)c1 814105956 LFOBVLGBFJKHAD-UHFFFAOYSA-N 275.392 3.692 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCCCCSC 819490837 OKTPIHORJSUNBL-UHFFFAOYSA-N 257.443 3.628 30 20 CHED Cc1cc2sc(C(=O)N[C@H](C#N)C3CC3)c(C)c2cc1C 486452039 PVGWPZHXDNFLEP-CQSZACIVSA-N 298.411 3.859 30 20 CHED Cl/C=C/CON=Cc1cnc(C2CCCC2)s1 811672016 OAOUUFAFZIMYQR-LPTQTZJXSA-N 270.785 3.904 30 20 CHED CCCc1[nH]ccc1C(=O)N(CCC#N)c1ccc(F)cc1 575114312 CPOPSLQLBMLWBP-UHFFFAOYSA-N 299.349 3.667 30 20 CHED CCOc1ccccc1C(C)=NOC/C=C/Cl 811671704 JZAQAWSQDCHKHQ-LSRQXAJVSA-N 253.729 3.578 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(C(C)=O)c1 654188338 LWUZQGWEJRRELS-MRXNPFEDSA-N 259.349 3.738 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C/c1cccc(F)c1 728871433 QHSFCEMFVSFNQZ-BQYQJAHWSA-N 288.366 3.627 30 20 CHED C=CCOc1cccc(CN[C@H]2CCc3ccc(O)cc32)c1 657690830 BEFGWOYXNVWQCY-IBGZPJMESA-N 295.382 3.734 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1CCC 829501445 FQJKHIFSXMVQMV-QWHCGFSZSA-N 289.341 3.617 30 20 CHED C=C(C)CN(C)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 497832529 QCQQIPIYSNYRJL-NEPJUHHUSA-N 292.345 3.573 30 20 CHED C#C[C@@H](N[C@H](C)C1CCOCC1)c1ccc(Cl)cc1F 491473262 BZNDJJKIBILIRA-BDJLRTHQSA-N 295.785 3.558 30 20 CHED Cc1cccc(C)c1OC(=O)CSc1ccc(C#N)cc1 728451192 HOLLHMKYYYSMHY-UHFFFAOYSA-N 297.379 3.873 30 20 CHED c1ccc(CCCNN=C2CSCc3ccccc32)cc1 729146390 UQYHUHMNRIZHTO-UHFFFAOYSA-N 296.439 3.860 30 20 CHED FC(F)(F)c1ccc(C=Nn2cnc3ccccc32)cc1 725847876 JJGPLGBWGUVCOG-UHFFFAOYSA-N 289.260 3.937 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](CC)c1ccncc1 664207044 AKKROKQFRGKDJW-AWEZNQCLSA-N 275.396 3.577 30 20 CHED C=CCC1(NC(=O)Nc2ccccc2N(C)C)CCCC1 665456644 HUXBXCHBGRJSKV-UHFFFAOYSA-N 287.407 3.763 30 20 CHED C=C[C@@H](CC(=O)N(O)Cc1ccc(F)cc1)c1ccccc1 901371440 BYRUGMRUVDEIBS-HNNXBMFYSA-N 299.345 3.903 30 20 CHED C=CCC1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC1 580741497 LXUJFRYQVYOTPT-UHFFFAOYSA-N 285.303 3.643 30 20 CHED C=CC(C)(C)Cc1nc([C@H](OCC)C(C)C)no1 904127303 JLPDSBZTIKMUIF-GFCCVEGCSA-N 252.358 3.558 30 20 CHED C=CCCC[C@H](N)c1nc(-c2cc(C)ccc2F)no1 904690548 SGMVKEVHBIJODY-ZDUSSCGKSA-N 275.327 3.540 30 20 CHED O=C1/C(=C\C2=Cc3ccccc3OC2)Cc2cc(F)ccc21 734305265 OKKZROODJCDELN-NVNXTCNLSA-N 292.309 3.967 30 20 CHED CC(C)Oc1cccc(/C=C2/C(=O)c3nccn3[C@H]2C)c1 901561305 RIZCNIBDFAKSBF-XBUHWIKASA-N 282.343 3.511 30 20 CHED CCn1c(NC(=O)[C@H](C)C(C)(C)C)nc2cc(C#N)ccc21 490744397 KKWUKAOIPNVBRR-NSHDSACASA-N 298.390 3.549 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cncc(F)c1 737423327 SQTYZDAKXQROFB-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CC[C@H]1CN(c2cccnc2C#N)CC[C@H]1c1ccccc1 589582101 RDUBTXOPDIRYFJ-DOTOQJQBSA-N 291.398 3.973 30 20 CHED Cc1noc(C)c1CN(C)CCC1(C#N)CCCCC1 839467176 OMJZCTJIZXQHSB-UHFFFAOYSA-N 275.396 3.587 30 20 CHED CCC(CC)N(CC)C(=O)c1cc2ccccc2n1CC#N 589097501 RWAQMPSAKHGGFI-UHFFFAOYSA-N 297.402 3.816 30 20 CHED COc1ccc2[nH]cc(C=NNc3ccccc3)c2c1 730145343 ZSBCTGCQTHAZCT-UHFFFAOYSA-N 265.316 3.623 30 20 CHED Cc1ccc(C)c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 839042658 IDOAVESELHLGEL-KGLIPLIRSA-N 257.333 3.543 30 20 CHED CC[C@H](NC1CCN(C2CCC2)CC1)c1cccc(C#N)c1 902777199 UBDLBZCBTAHWDK-IBGZPJMESA-N 297.446 3.616 30 20 CHED CCOc1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1 731565695 YCAFKJPOMJAIRS-LCYFTJDESA-N 298.313 3.883 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@H](C)CC[C@@H]2C)n1 834963259 SLOHISLHOYJIQD-BDAKNGLRSA-N 266.776 3.662 30 20 CHED C#CCOc1ccccc1CNCc1ccc(C)c(C)c1 734159774 XVCQMBAGGJQBIO-UHFFFAOYSA-N 279.383 3.605 30 20 CHED N#CCCCCCC(=O)Nc1cc(C#N)ccc1NC1CC1 589852718 IDQSIDLHPMNSMK-UHFFFAOYSA-N 296.374 3.545 30 20 CHED C#Cc1ccc([C@@H](OC(=O)C2CC=CC2)C(F)(F)F)cc1 836079605 CUSBSGNNBOHOTG-CQSZACIVSA-N 294.272 3.781 30 20 CHED C#Cc1cncc(C(=O)N2CC[C@H](C)c3cccc(C)c32)c1 839386021 JOUXZVCENRFZFE-ZDUSSCGKSA-N 290.366 3.525 30 20 CHED CCC#C[C@@H](C)Sc1nnc(-c2ccccc2)n1CC 677132142 XRENDRNDBOSMGS-CYBMUJFWSA-N 285.416 3.859 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](c2ccccc2C)C[C@H]1C 737447830 GTERGDFHFZBMDE-CABCVRRESA-N 288.460 3.623 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(OCC=C)cc1 678896186 ZSMXXEKFZSDILD-AWEZNQCLSA-N 273.376 3.726 30 20 CHED C#CCOc1ccc([C@H](C)NCc2cc(C)cs2)cc1 834883541 QROSCDNWSGGZHY-AWEZNQCLSA-N 285.412 3.919 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1ccccc1C(F)(F)F 837362588 RKWNAWHDOGSSJO-LLVKDONJSA-N 297.320 3.932 30 20 CHED CCOCCC1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCCC1 839050682 BRRAMQFZLFWQHL-HUUCEWRRSA-N 293.407 3.599 30 20 CHED C#CCCc1noc([C@@H]2CCC[C@@H]2c2ccccc2)n1 834585236 KJNYNBVVOXTVOC-HUUCEWRRSA-N 266.344 3.687 30 20 CHED Oc1ccccc1/C=N\CC1(c2ccccc2)CC1 839386581 SZKOYISDBNCXTL-PDGQHHTCSA-N 251.329 3.543 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(C)c1C 731153315 FWLJVJGKWSGCLC-UHFFFAOYSA-N 299.330 3.666 30 20 CHED C[C@H](NC(=O)Cc1ccccc1CC#N)[C@H]1CCC[C@@H](C)C1 837155582 MHLSTYDLGTYTDX-VYDXJSESSA-N 298.430 3.626 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cc(F)c(O)c(F)c1)C2=O 749891441 KDGXXOOFRNMFDV-XGICHPGQSA-N 286.277 3.801 30 20 CHED C#CCN(CC)C(=O)N[C@H](c1ccc(CC)cc1)C(C)C 919899931 ANRAVVVNWGZKMB-KRWDZBQOSA-N 286.419 3.611 30 20 CHED C#CCOc1ccc(C(=O)N(CCCC)[C@H](C)CC)cc1 741533176 OYKOUSNOCQBSHC-OAHLLOKOSA-N 287.403 3.739 30 20 CHED N#Cc1csc(C=NNc2cccc(Cl)c2F)c1 748075487 JRGQVPRQWVPFRS-UHFFFAOYSA-N 279.727 3.858 30 20 CHED CCC[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)OCC 599058786 GAATXVMQKUSMOW-SJLPKXTDSA-N 286.419 3.730 30 20 CHED Cc1cccc(CSCCc2ccc(C#N)cc2)n1 596352540 NYBAEMTZUPLNHB-UHFFFAOYSA-N 268.385 3.738 30 20 CHED COc1ccc2c(c1)CCN(CCCCC(C)(C)C#N)C2 595760738 XCLHETJEOVBUJO-UHFFFAOYSA-N 286.419 3.773 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2cccc3cc[nH]c23)c1 745543458 SEFAKNNBIRPZGI-UHFFFAOYSA-N 294.285 3.536 30 20 CHED Cc1csc(COc2nc3c(cc2C#N)CCCCC3)n1 918688051 IIOHFLVAZJYURW-UHFFFAOYSA-N 299.399 3.566 30 20 CHED C=CCCSCCNC(=O)N[C@H](C)c1ccc(C)cc1 595457135 ZQRWQTALURBZAM-CQSZACIVSA-N 292.448 3.665 30 20 CHED C=CCCSCCNC(=O)CCc1ccccc1Cl 597974520 MRUZMMDJDVMCHA-UHFFFAOYSA-N 297.851 3.698 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1sccc1C 743449715 FWMWFTFIXMJEQB-UHFFFAOYSA-N 265.769 3.941 30 20 CHED CCOc1cccc(C(C)=NNCc2ccccc2)c1 743525914 MCWUCJDKXPSMFU-UHFFFAOYSA-N 268.360 3.599 30 20 CHED CC(C)[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 842298375 GABKLYOJGVQTHH-BFHYXJOUSA-N 277.751 3.535 30 20 CHED COc1ccccc1CC(C)=NNc1cccc([N+](=O)[O-])c1 916269133 SYMWBVBFKVOYQK-UHFFFAOYSA-N 299.330 3.634 30 20 CHED C#Cc1ccc(CNC2(c3ccccc3C)CC2)cc1 843419548 XLQSXSXNFVUCLN-UHFFFAOYSA-N 261.368 3.755 30 20 CHED CC(C)[C@H]1CCCC1=NNCCc1ccccc1F 747765591 DLDWBUQLXXKWGM-CQSZACIVSA-N 262.372 3.770 30 20 CHED CC(C)(C#N)c1ccc(-c2ccccc2C(=O)O)cc1 592967608 BRSBALICEREHQX-UHFFFAOYSA-N 265.312 3.853 30 20 CHED CC/C=C(\C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 918562628 HDEGDSPBVNPNJH-VIZOYTHASA-N 290.366 3.776 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC[C@@H](CC#N)C1 595533969 DHGHYCGUSKETON-ILXRZTDVSA-N 291.439 3.536 30 20 CHED COc1cccc(O)c1C=Nc1ccc([C@H]2CCOC2)cc1 840707548 WOTUYAQQOPHJEW-AWEZNQCLSA-N 297.354 3.655 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 743620469 NJRXPPNOSAZPKX-DOMZBBRYSA-N 292.810 3.574 30 20 CHED Cc1cccc(C=NNc2cc([N+](=O)[O-])ccc2C)c1 747062057 SAFDYJGUQNISMC-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1nc(C2CC2)cs1)C1CC1 842940490 BDPYGPLICUPSAG-UVMWJGKXSA-N 272.373 3.553 30 20 CHED CC(C)SCCOC(=O)CC1(C#N)CCCCC1 849906651 HBJLAROUOOEELH-UHFFFAOYSA-N 269.410 3.535 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N(C3CC3)[C@@H](C)C#N)oc12 598129457 IJHKJJXCAMKZOL-LBPRGKRZSA-N 296.370 3.875 30 20 CHED CCCCCCC[C@@H](C)CNC(=S)NC1CC1 917602834 PKFAWKQQUZWZNY-GFCCVEGCSA-N 256.459 3.610 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCOc1ccc(C)cc1 683788049 FIHCOWHFLWXVSH-MRXNPFEDSA-N 287.403 3.721 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)C(F)F)c2C#N)[C@H](C)C1 844546438 YLYDEOILPPQXDO-NKWVEPMBSA-N 284.331 3.509 30 20 CHED c1ccc(COc2ccc(CON=C3CCC3)cn2)cc1 848510055 OBZCHTLZDRWKPP-UHFFFAOYSA-N 282.343 3.717 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2cc(F)ccc2[C@@H]1C 684928879 DJJNNUFRGOQZDV-WFASDCNBSA-N 290.382 3.809 30 20 CHED C=C[C@H](C)ONC(=O)C(C)(C)Cc1ccc(Cl)cc1 846553516 BYMXJVAHQSBWHG-NSHDSACASA-N 281.783 3.531 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCC1CCC(C#N)CC1 595037468 ANIFMBPICXDXNU-NCOXYXGASA-N 260.425 3.731 30 20 CHED CC[C@@H](CC#N)NCc1nc(C2CCCCC2)cs1 594006881 VBNVAJMOCKONCR-ZDUSSCGKSA-N 277.437 3.973 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 593477530 BUNANUOKHURBPF-RKDXNWHRSA-N 285.174 3.720 30 20 CHED CCOCc1cccc(N[C@@H](C)CC(C)(C)C#N)c1 925917349 DJLHLUNMPPSILY-ZDUSSCGKSA-N 260.381 3.963 30 20 CHED COCC(=NNc1ccc(Br)cc1C)C(C)C 741464452 PMWOSWQYUMWYFC-UHFFFAOYSA-N 299.212 3.828 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(CSCC)cc1 844699051 RKNAAMZZPPAPFV-NSHDSACASA-N 280.393 3.567 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(NC(C)=O)cc1 743450595 NPFRJWKMGISORI-CQSZACIVSA-N 289.423 3.927 30 20 CHED C=C(C)CNC(=S)N(C)c1cc(Cl)ccc1C 840760453 YXLPNLNNAIPQAU-UHFFFAOYSA-N 268.813 3.535 30 20 CHED C=CCCCCNC(=O)NCCC[C@H]1CC1(Cl)Cl 845124619 OLWWLFQYPTVOOA-NSHDSACASA-N 293.238 3.616 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@H](C)C#N)c21 928583700 BXHROTFDUYFWQZ-WDEREUQCSA-N 256.349 3.570 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](C)CSc1ccccc1 844683125 RIXYADWQWSJCKF-HNNXBMFYSA-N 289.444 3.819 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(O)cc1 920376488 JGAYDBWXFWLNOK-UHFFFAOYSA-N 262.259 3.507 30 20 CHED CC(/C=C\C(=O)c1cn(C)nc1C)=C\c1ccccc1 750913005 JRZVYLBESUMXFQ-AZQRDTPRSA-N 266.344 3.571 30 20 CHED N#Cc1cc(COC(=O)/C=C/c2cccs2)ccc1F 758914723 OPTBNGSLYCZPOV-GQCTYLIASA-N 287.315 3.515 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccnc2cc(Cl)ccc12 758358755 KHQNBQBBYIYDJH-ZJUUUORDSA-N 259.740 3.942 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1OC 758375290 PPJBAQCPQGDQJV-SNVBAGLBSA-N 277.324 3.581 30 20 CHED Fc1ccc(-c2ccc(C=NNC3CC3)s2)cc1 758127497 QCOOKPLBSPDCCX-UHFFFAOYSA-N 260.337 3.640 30 20 CHED COCCCC(C)=NNc1ncnc2sc(C)c(C)c12 759187021 JQCDSZPJQCJBQV-UHFFFAOYSA-N 292.408 3.523 30 20 CHED CCOc1ccc(O)c(/C=N\CCOc2ccc(C)cc2)c1 920942207 RCDCMTTXBNPPEZ-UYRXBGFRSA-N 299.370 3.597 30 20 CHED CC(=C\c1ccccc1)/C=C1\CCc2c(cnn2C)C1=O 750914199 TZKLKZVRTWGQGH-FVIOEUFFSA-N 278.355 3.579 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 854760909 KPNCLBAMSUMVDG-INIZCTEOSA-N 293.769 3.706 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 855544499 CRMLIYCWSUREKW-MRXNPFEDSA-N 287.403 3.987 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](c2ccccn2)C2CC2)C1 925571922 GWHMYZAIKWPFMY-PBHICJAKSA-N 299.418 3.530 30 20 CHED CCC(=NNc1ccc(C(=O)OC)cn1)C1CCCCC1 758139373 JYTLWOYNLBYCOA-UHFFFAOYSA-N 289.379 3.626 30 20 CHED C=CC[C@@H](NC(=O)C=C(CC)CC)c1ccncc1 759218302 LXFDQCLBYMXPNR-OAHLLOKOSA-N 258.365 3.561 30 20 CHED C=CC(C)(C)CCOC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C 851299891 CSBGTDUPMSASRB-QWHCGFSZSA-N 280.408 3.773 30 20 CHED CC[C@H](C#N)NC(=O)c1sccc1-c1ccc(F)cc1 758955960 YFWQRQDPJPZBQF-GFCCVEGCSA-N 288.347 3.586 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cccc2cc[nH]c12 851209627 NDPIMDZVOOMHOB-LLVKDONJSA-N 270.332 3.653 30 20 CHED C=CCCONC(=O)CCc1ccc(Cl)cc1Cl 856029976 KXTYSGMMYDKXPG-UHFFFAOYSA-N 288.174 3.550 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)C1CCC(OC)CC1 851143524 MAQPJCMGOQQDJI-SLTXQBBLSA-N 280.408 3.870 30 20 CHED CCCCCC[C@H](C)C(=O)N1CCC[C@@H](CC#N)C1 855254913 RZNWAPIGMXQLGU-GJZGRUSLSA-N 264.413 3.745 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2ccc(F)cc2OCC#N)CS1 754145493 TYGATDPDQZVVTD-DOMZBBRYSA-N 294.395 3.670 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@](C)(O)c1cccs1 850435689 CXJWORXUWXTXLT-IIAWOOMASA-N 279.449 3.680 30 20 CHED O=C(O)c1ccc(NN=C2CCC(C3CCC3)CC2)nc1 853325396 HZTPMZLOAZZGFN-UHFFFAOYSA-N 287.363 3.538 30 20 CHED CC[C@H](C)n1nc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1C 851208335 RXJISKCNVGPQBZ-AAEUAGOBSA-N 291.395 3.648 30 20 CHED CC[C@@H](C)CCNCc1ccc(N(C)CCC#N)cc1 850355675 LLQBSQGBYVPSIJ-OAHLLOKOSA-N 273.424 3.562 30 20 CHED CC(C)(C#N)CCCCOC(=O)C=C1CCSCC1 768832470 GEADKSTUPQBGOD-UHFFFAOYSA-N 281.421 3.703 30 20 CHED Cc1cc(C)cc(NC(=S)Nc2cc(CC#N)ccn2)c1 763169801 URTKBJRPVWDLIJ-UHFFFAOYSA-N 296.399 3.573 30 20 CHED C#Cc1cccc(NCc2nccc3ccccc23)c1 766447469 RPZSZXUNWCKRIK-UHFFFAOYSA-N 258.324 3.828 30 20 CHED CCC(=O)c1ccc(C(=O)Oc2ccc(C#N)c(C)c2)cc1 765091046 CHTSHDJBKIUDEB-UHFFFAOYSA-N 293.322 3.679 30 20 CHED CC#CCCCC(=O)Oc1ccc2ccc(OC)cc2c1 767045140 CTWVMIGIIIEDQR-UHFFFAOYSA-N 282.339 3.947 30 20 CHED Cc1cc(O)c(CN2CCCC(C)(C)[C@H]2C#N)cc1C 766114862 ZAPOUWCRVPZIIZ-MRXNPFEDSA-N 272.392 3.523 30 20 CHED CCN(CC)c1ccc(CNC[C@@H](C)CCC#N)cc1F 877026609 CXJZQURGDMFOFB-AWEZNQCLSA-N 291.414 3.701 30 20 CHED C=CC(C)(C)CC(=O)Nc1onc(C(F)(F)F)c1CC 879534308 OJIPHDVFCHWEBN-UHFFFAOYSA-N 290.285 3.797 30 20 CHED C[C@@H](O)c1ncc(C=NNc2cccc3ccccc23)s1 773053241 DETJUCVFSOGSPC-LLVKDONJSA-N 297.383 3.796 30 20 CHED CCCCC[C@H](CC)C(=O)OCC1(CC#N)CC1 776095203 YHWIHJDJOFYLNB-ZDUSSCGKSA-N 251.370 3.830 30 20 CHED C[C@]1(CCNc2c(C#N)cccc2C#N)CC1(Cl)Cl 1117801128 DNGPCLNRMKGJJF-ZDUSSCGKSA-N 294.185 3.816 30 20 CHED C=CCN(Cc1cc(=O)oc2c(C)c(C)ccc12)C1CC1 772382590 SQVCNNXYGDMQCY-UHFFFAOYSA-N 283.371 3.560 30 20 CHED Cn1ccc(/C=C2/Cc3cc(Cl)cc(Cl)c3C2=O)n1 773153241 JFFFNPMLXPHBMM-TWGQIWQCSA-N 293.153 3.549 30 20 CHED CCC(CC)CN(CCC#N)Cc1nc(Cl)cs1 876691931 TXRWXEWGAGTAAK-UHFFFAOYSA-N 285.844 3.948 30 20 CHED C[C@@H](C#N)COC(=O)C(C)(C)c1ccc2ccccc2c1 770933087 NWTLKGBHYNGRPT-ZDUSSCGKSA-N 281.355 3.820 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1cc2ccccc2o1 879059724 HYYOZRAONSLFSD-UHFFFAOYSA-N 271.360 3.994 30 20 CHED C=C(CC)COC(=O)c1ncoc1-c1ccc(C)cc1 773523448 PVQCFYPIEJSTPZ-UHFFFAOYSA-N 271.316 3.773 30 20 CHED C=CCCCCNS(=O)(=O)/C=C\c1cccc(Cl)c1 770277240 SYIDIBQMNAZZAB-LUAWRHEFSA-N 299.823 3.586 30 20 CHED C=CCCC[C@H](C)NC(=S)N[C@@H](C)c1ccccc1 776203659 RJOIYVMZANQYMI-KBPBESRZSA-N 276.449 3.957 30 20 CHED C=C[C@@H](CC)OC(=O)Cc1c[nH]c2ccc(Cl)cc12 776100750 KXSGGLUMEVBHQB-LBPRGKRZSA-N 277.751 3.872 30 20 CHED C=CCN(C(=O)c1c(C)oc2ccc(OC)cc12)C1CC1 771827615 LWXPKEHKWAUJCC-UHFFFAOYSA-N 285.343 3.540 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1ccc[nH]1 776786650 ZLJOMWMNIZFQBP-UHFFFAOYSA-N 264.332 3.707 30 20 CHED CC(C)C[C@H]1C[C@H](Nc2cc(C#N)cc(Cl)n2)CCO1 1120833524 PBNIEPRWENWFDP-OLZOCXBDSA-N 293.798 3.612 30 20 CHED FC(F)(F)CCON=C1CC[C@@H]1c1ccccc1 777462972 UKWSBKSSXVBNGO-LLVKDONJSA-N 257.255 3.889 30 20 CHED C=C(C)CCC(=O)Nc1c(F)cccc1Br 1121076674 VVRJYHLQSOCPDJ-UHFFFAOYSA-N 286.144 3.883 30 20 CHED CCCCCCCC(=O)N[C@H](c1cnn(C)c1)C(C)C 885440319 WQMCRLPVEQMKCB-INIZCTEOSA-N 279.428 3.594 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ccccc1C(=O)O 773191545 UFQGXBBURLQMBC-TZMCWYRMSA-N 272.348 3.775 30 20 CHED C=C(Cl)CN[C@@H]1CC(C)(C)c2cc(OC)ccc21 788984030 MIFFNVJIEHEKCI-CQSZACIVSA-N 265.784 3.760 30 20 CHED Cc1ccc(COC(=O)CC(C)(C)C#N)c(Cl)c1 785097407 QJBSPIJJOGZZTF-UHFFFAOYSA-N 265.740 3.632 30 20 CHED CC(C)(C#N)CNC(=O)N1CCC(C2CCCCC2)CC1 781953346 DRMCJCWLTPJOSC-UHFFFAOYSA-N 291.439 3.538 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](c2ccccn2)C2CC2)n1 1120873309 AMAVYXRWPRMYCH-INIZCTEOSA-N 278.359 3.528 30 20 CHED CCCCCCCCCCN1CCC2(CC1)CNC(=O)O2 781999673 NJFZRLDBZANOHN-UHFFFAOYSA-N 296.455 3.702 30 20 CHED C=CCCCCCN(C)C(=O)c1ccnn1[C@@H](C)CC 1121133191 XTSJVJLNTYYWJS-AWEZNQCLSA-N 277.412 3.673 30 20 CHED C[C@@H]1C(=NNc2nc3ccccc3[nH]2)CCC[C@H]1C 781116662 FXZMJXXKYWPQJC-MNOVXSKESA-N 256.353 3.787 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2cc(C#N)ccc2F)C1 1129764693 AGVBAFCZJOZWHW-CYBMUJFWSA-N 288.366 3.644 30 20 CHED C=CCN(C(=O)/C=C/c1cnccc1C)c1ccccc1 783871754 MWQNJMRAOMGNMV-MDZDMXLPSA-N 278.355 3.622 30 20 CHED CCCCC[C@H](C)CC(=O)N1CCC[C@](C)(C#N)C1 784747486 ROJKEZQLWAGPAY-GOEBONIOSA-N 264.413 3.745 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(F)c(F)c1C 1129668494 NWYMBLXYHDVHJB-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C=CCCCCCOC(=O)[C@@H]1CC(=O)c2ccccc21 784922087 LUJKVMOOWJERKA-OAHLLOKOSA-N 272.344 3.646 30 20 CHED C=CCCCCCOC(=O)c1scnc1CC 784327279 WSSIEKWTERNRMU-UHFFFAOYSA-N 253.367 3.609 30 20 CHED CC(C)C(C=NNc1nc(O)c2ccccc2n1)C(C)C 789022514 DPGKWYHLMQDHTO-UHFFFAOYSA-N 286.379 3.661 30 20 CHED COc1cccc(CC(=NNc2ccnc(F)c2)C2CC2)c1 781127586 ODTJRUUKHSKAFV-UHFFFAOYSA-N 299.349 3.650 30 20 CHED Cc1cc(C)c(C=NNc2ccnc(F)c2)c(C)c1 781133438 VPAMBDFLKALBAK-UHFFFAOYSA-N 257.312 3.592 30 20 CHED C#CCOc1ccc(CN[C@@H](CC(F)(F)F)C(C)C)cc1 782543511 LIRKOEKGJBSACT-HNNXBMFYSA-N 299.336 3.765 30 20 CHED C=C1CCC(C(=O)N2CC(C)(CC(F)(F)F)C2)CC1 897938980 IZUFMTLVDHKRRD-UHFFFAOYSA-N 275.314 3.534 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2cccc(C#N)n2)cc1 1130113614 GBLNNDITTVAFJK-UHFFFAOYSA-N 279.343 3.503 30 20 CHED C#C[C@@H](CCC)NC(=O)N(Cc1ccccc1)CC(C)C 791069526 MHTUBICASPKSOL-KRWDZBQOSA-N 286.419 3.656 30 20 CHED C#Cc1cncc(C(=O)N(c2cc(C)ccc2C)C(C)C)c1 798245086 BKNHQRNENMKIQH-UHFFFAOYSA-N 292.382 3.735 30 20 CHED CC[C@H](C)NN=Cc1cc(C)c(C)cc1OC(F)F 790189545 OWTGRQYCBRXXEW-NSHDSACASA-N 270.323 3.627 30 20 CHED CCC(Cc1cccs1)=NNc1cccc(F)n1 795007702 MTKFMTRZZIRVBB-UHFFFAOYSA-N 263.341 3.703 30 20 CHED N#Cc1ccc(CCC(=O)O[C@@H]2CCc3ccccc32)cc1 790219403 BLEUUOMKSCUGRT-GOSISDBHSA-N 291.350 3.722 30 20 CHED CSCCON=C(C)c1sccc1Br 794573434 BKTXTGFKCLKIHN-UHFFFAOYSA-N 294.239 3.614 30 20 CHED CCn1nccc1/C=C1/Sc2cc(C)ccc2C1=O 798232664 ZKYVTBXSSKOOSC-NTEUORMPSA-N 270.357 3.541 30 20 CHED C[C@H](NN=Cc1ccc(F)c(C#N)c1Cl)C(C)(C)C 793112769 WUODWUIMIZUJHF-VIFPVBQESA-N 281.762 3.709 30 20 CHED CCCc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 798243614 RJPILAMDQSYUSJ-UHFFFAOYSA-N 299.761 3.811 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNc1ncncc1Cl 797403374 KFSSQTPRRUKLGF-VHSXEESVSA-N 266.776 3.744 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCCCCCC 798071961 RXOQHVKHSSPCCH-HZPDHXFCSA-N 296.455 3.627 30 20 CHED CC(C)n1nccc1C=NNc1cccc(C(F)(F)F)c1 794453059 IIHCLGGBZRHUMZ-UHFFFAOYSA-N 296.296 3.929 30 20 CHED N#CCc1cccc(N2CC[C@@H](C3CCCCC3)C2)n1 1149999032 LLZGQFLCCUDAII-OAHLLOKOSA-N 269.392 3.554 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1c[nH]c2cc(F)ccc12 794934291 IQGZZTHLSLUFAJ-XQRVVYSFSA-N 297.333 3.981 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N(CC)CCC 1301036604 JCEBMJMOIKUVNG-UHFFFAOYSA-N 296.846 3.925 30 20 CHED CC[C@@H](CNc1cc(C)c(C#N)cn1)Oc1cccc(F)c1 1306989234 ZGFFXNPCTTXXGM-HNNXBMFYSA-N 299.349 3.670 30 20 CHED N#CCCN(Cc1cccc(Cl)c1)Cc1ccco1 78665854 HIELYBMUGDFEBO-UHFFFAOYSA-N 274.751 3.849 30 20 CHED CC(C)(C)ON=Cc1ccc(CSC(F)F)o1 1319579639 WVDSIYNZHLXLBW-UHFFFAOYSA-N 263.309 3.884 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H]2CCCC[C@@H]2C1 1319164847 UGUATLDBUKTMBO-GDBMZVCRSA-N 261.409 3.794 30 20 CHED C=C(C)CN(CC)Cc1ccc(F)cc1Br 514492349 QYZARWHWEROINT-UHFFFAOYSA-N 286.188 3.986 30 20 CHED C=CCCCCCN(C)C[C@H]1OCCc2ccccc21 516606355 IDBHPSDUUZJXMW-GOSISDBHSA-N 273.420 3.979 30 20 CHED CCCCCCCN[C@H](C)CC(=O)Nc1ccccc1 703722173 GDIUAFGJGWYTEQ-OAHLLOKOSA-N 276.424 3.964 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2csc(C#N)c2)C1 1326488658 LORDSJFVMJNELM-LBPRGKRZSA-N 276.405 3.518 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCN(C)C1CCCCC1 695843765 RIEFOZZBUADFRP-OAHLLOKOSA-N 279.472 3.559 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1csc(-c2ccccc2)n1 1327377717 YQDOUNJAALTOJZ-JSGCOSHPSA-N 288.416 3.662 30 20 CHED N#CCc1cccc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)n1 1321116048 UGOWRLDNXJGMFR-LSDHHAIUSA-N 283.762 3.769 30 20 CHED CC1(C)CN(c2nc3ccccc3cc2C#N)C1(C)C 690301289 QODSSIMVRLAFLL-UHFFFAOYSA-N 265.360 3.731 30 20 CHED C=CCCO[C@H](C)c1nnc(-c2cccc3ncccc23)o1 1257877009 VAFTXWHVWWHNAK-GFCCVEGCSA-N 295.342 3.939 30 20 CHED C=CCC1(O)CCN(C(=O)[C@@H](C)CC2CCCCC2)CC1 1331911675 NUCMOTBTTWBSQF-HNNXBMFYSA-N 293.451 3.523 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2F)C1 1337304493 YZQJTYYJSHGIEJ-ZDUSSCGKSA-N 288.366 3.596 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(-c2ccccc2)s1)C1CC1 1334537292 RHDQPHNSVFHTSS-GFCCVEGCSA-N 296.395 3.932 30 20 CHED Cc1nccn1CCCSCc1cccc(C#N)c1F 1345182767 AUUSYTFEAQELCN-UHFFFAOYSA-N 289.379 3.526 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1CCOC(C)(C)C1 1347068335 HMKYLDMKVZSDOA-OAHLLOKOSA-N 287.403 3.949 30 20 CHED C#CCC1(C(=O)N2C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)CCCCC1 1261269338 KZBGQMVJJVCSJC-XLAORIBOSA-N 297.442 3.631 30 20 CHED COc1ccc2cc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)ccc2c1 1263379376 KGSAWMOIMHFVHW-SJKOYZFVSA-N 295.338 3.697 30 20 CHED N#CC1(COC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CCCCC1 1344697942 KOZWZWOPZQAZAK-YESZJQIVSA-N 295.382 3.590 30 20 CHED C=CCOCCCOC(=O)C1(C(F)(F)F)CCCCC1 1261628362 WVGWVRGDFHCYEF-UHFFFAOYSA-N 294.313 3.635 30 20 CHED C[C@H]1CN(CCc2ccc(C#N)cc2)Cc2ccccc21 1197552431 JPMPICLPXWNTGF-HNNXBMFYSA-N 276.383 3.720 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2cnc(Cl)cc2C#N)CC1 1340722547 PFDQYYDKIABLTD-LLVKDONJSA-N 289.766 3.682 30 20 CHED CC1(C)C[C@]1(C(=O)O[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 1342631142 AKKLWEZWJMCZNR-DDUZABMNSA-N 283.371 3.590 30 20 CHED CC(C)Sc1ccccc1NCCO[C@H](C)C#N 802743847 QFTMXNCSFBNXGL-GFCCVEGCSA-N 264.394 3.528 30 20 CHED N#Cc1ccc(C(=O)NCC2CCCCCC2)cc1Cl 1272805671 WTQAFAHOHMTQKD-UHFFFAOYSA-N 290.794 3.912 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2cc(C#N)ccc2F)c1C 1360280074 KXFHGDSPVRPJDW-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED C[C@H]1CCCC[C@@H]1CN1CCN(c2ccccc2C#N)CC1 1459413014 LXJMEGBZHOPMBT-FUHWJXTLSA-N 297.446 3.507 30 20 CHED Cc1cc(SCC(=O)COc2ccccc2)ccc1C#N 1459144387 XNKILUFQMICPIL-UHFFFAOYSA-N 297.379 3.607 30 20 CHED CC1(C)[C@@H]2CN(c3c(C#N)cnc4c(Cl)cccc34)C[C@H]21 1458205324 QJJMOFHWCOUTTM-CHWSQXEVSA-N 297.789 3.852 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2cccc(C#N)c2)CCC[C@H]1C 1527767731 KCUHQDVBFXFENC-XUJVJEKNSA-N 257.333 3.540 30 20 CHED COc1ccc2cc(NCc3cccc(C#N)n3)ccc2c1 1462224162 IKTTYTJKXNSKLR-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CSc1ccc(C)c(NC(=O)c2ccsc2C#N)c1 1520565376 WXRODJMYYIAAJT-UHFFFAOYSA-N 288.397 3.902 30 20 CHED C[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)c1cccs1 1531984837 KIGRBADLYDVLRJ-SECBINFHSA-N 274.320 3.501 30 20 CHED C[C@H]1CN(CCc2ccc(C#N)cc2)c2ccc(F)cc2O1 1615674767 WLWAPMGHLMRIEH-ZDUSSCGKSA-N 296.345 3.527 30 20 CHED Cc1ccccc1C1(C(=O)N(C)[C@H](C)CC#N)CCCCC1 1540239428 HMKOOSVWMTZSCG-MRXNPFEDSA-N 298.430 3.958 30 20 CHED N#Cc1cccc(OCCN2CCc3cc(Cl)ccc32)c1 1648553378 FCPNCEYCORJDIP-UHFFFAOYSA-N 298.773 3.653 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@]1(C(=O)O)CC=CCC1 1588460450 IFIMGVUUJPBNRO-GOSISDBHSA-N 299.370 3.555 30 20 CHED N#Cc1cc(C(=O)Nc2ccc3occc3c2)cs1 1588226420 SKROJAYXAOKYDI-UHFFFAOYSA-N 268.297 3.618 30 20 CHED CCCN(C[C@H](C)CCC#N)[C@@H]1C[C@H](OCC)C1(C)C 1658251725 XIBZPGNMBQCDEJ-OAGGEKHMSA-N 280.456 3.842 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1Cc1cccc(C#N)n1 1658197880 UVTSOXABSZPZHA-SPYBWZPUSA-N 291.398 3.720 30 20 CHED CCCC[C@@H](COC)Nc1nc(C(C)(C)C)ccc1C#N 1650769659 QFEYZQFZXWXHEA-AWEZNQCLSA-N 289.423 3.868 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCC[C@H](C(C)C)CC2)n1 1642600274 MBHJSSSDHDSQPV-UONOGXRCSA-N 272.396 3.674 30 20 CHED C=CCC[C@H]1CCCN1Cc1ccc(C(=O)O)c(C)c1 1776170646 DABLCXFFMHYNOG-HNNXBMFYSA-N 273.376 3.624 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(C(=O)O)c(F)c1 1777465252 BUVORKSOTRZDLS-VQHVLOKHSA-N 284.286 3.728 30 20 CHED O=C(O)c1cccc(NN=C2CCC3(CCCC3)C2)c1 1776038683 YJQNJOYBMRBXLX-UHFFFAOYSA-N 272.348 3.897 30 20 CHED CCCCCCCCCN(C)c1ccnc(C(=O)O)c1 1776785367 FJWPOZXRCOQECD-UHFFFAOYSA-N 278.396 3.967 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1C 11298703 LHDFWGARGJJEGM-QPJJXVBHSA-N 298.338 3.614 30 20 CHED C#Cc1cccc(NCc2cn[nH]c2-c2cccc(C)c2)c1 158292188 WFNCLFWVKBNCGZ-UHFFFAOYSA-N 287.366 3.979 30 20 CHED N#CC1(NC(=O)CC2(CCc3ccccc3)CCCC2)CC1 160708458 UYYASXWMAPNRJE-UHFFFAOYSA-N 296.414 3.742 30 20 CHED CCCN(CC1CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 160713920 WQPDNVRPWYEGGG-KRWDZBQOSA-N 299.418 3.863 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)c1nc2ccccc2n1C 151643349 JJFKUJCCWMJDMO-CYBMUJFWSA-N 298.386 3.946 30 20 CHED C=CCN(C)C(=O)Nc1ccc(OCCC(C)C)cc1 157529658 IQMGKBYQDOVPQD-UHFFFAOYSA-N 276.380 3.761 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(Cl)c1Cl 156919253 KESABIWPFRQOML-MRVPVSSYSA-N 286.162 3.807 30 20 CHED Cc1cccc(CCNc2cccc(F)c2C#N)c1 111249322 HQXYMYBMIOPWKO-UHFFFAOYSA-N 254.308 3.660 30 20 CHED N#Cc1ccc(NCCCOCC(F)(F)F)c(Cl)c1 225234370 HOXGMDJGMCNNME-UHFFFAOYSA-N 292.688 3.593 30 20 CHED N#Cc1cc(F)cc(NCc2ccc(F)c(F)c2)c1 227612118 LSXCEPGZQHATNS-UHFFFAOYSA-N 262.234 3.588 30 20 CHED Cc1ccc(F)cc1CN(C)Cc1cccc(C#N)c1 129157634 WFTICPBFDIUHTE-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C[C@@H](NC[C@H]1CCCCS1)c1ccc(OCC#N)cc1 156376836 FLRRAYKTNLNFOU-CZUORRHYSA-N 290.432 3.525 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 300408162 JNUKRGYLGYEGAC-DLOVCJGASA-N 274.751 3.586 30 20 CHED CC1(C)[C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21 301449382 KVOVSPSHDYAFBQ-CHWSQXEVSA-N 280.293 3.669 30 20 CHED C=CC1CCN(Cc2ccc(Br)s2)CC1 600681494 PWBGXUXFKPNDFP-UHFFFAOYSA-N 286.238 3.909 30 20 CHED Cc1occc1CNc1cccc(OCCCC#N)c1 321218401 JRFSCBKTZDYMLG-UHFFFAOYSA-N 270.332 3.883 30 20 CHED Cc1csc(CNc2nc(C)cc(C)c2C#N)c1 344625751 JQQCGPKIBAJTAE-UHFFFAOYSA-N 257.362 3.552 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H](CO)CC1 378755739 SCXGSQOZVNPJQQ-INIZCTEOSA-N 283.456 3.748 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C[C@@H]1CC[C@H]2C[C@H]12 716915797 KJNHUXNDWFDPSP-KWBADKCTSA-N 274.751 3.586 30 20 CHED Cc1ccnc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1C#N 394286761 KTQCXNJFWLYXOD-DYVFJYSZSA-N 269.392 3.667 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(CC#N)cc1 399008333 VTZSYTWQWLSSTI-YOEHRIQHSA-N 256.393 3.763 30 20 CHED CCC[C@H]1CCCCN1Cc1ccc(CC#N)cc1 399000745 SCJXUMHNZIUOOJ-KRWDZBQOSA-N 256.393 3.907 30 20 CHED CC(=NOCc1ccccc1)c1ccc(C#N)s1 762446153 DPXBJXGTEIUIHL-UHFFFAOYSA-N 256.330 3.561 30 20 CHED CC[C@@H]1C[C@H]1CN(CC)[C@H](C)c1ccc(C#N)cc1 1653200443 PCQAMNGCWCVHFN-UNEWFSDZSA-N 256.393 3.987 30 20 CHED CCCCCCCCCN1CCC[C@@]1(C)C(=O)O 112791478 BVRXXPYYJISLPH-HNNXBMFYSA-N 255.402 3.676 30 20 CHED N#Cc1c(F)cccc1Nc1ccc2c(c1)OCCCO2 105791338 DZWFJXYXZCHHJA-UHFFFAOYSA-N 284.290 3.602 30 20 CHED CCCc1ncc(C(=O)Nc2cccc(C#N)c2C)s1 178372862 PHAYXHPJIANFBI-UHFFFAOYSA-N 285.372 3.528 30 20 CHED C[C@H]1CCC[C@H](Nc2ncc(Br)cc2C#N)C1 310067920 CEWIMWSBCVIIHU-CABZTGNLSA-N 294.196 3.706 30 20 CHED C=CCS[C@@H](C(=O)N1CCCCC1)c1ccccc1 114757448 HKTQMAWGZGQBTR-OAHLLOKOSA-N 275.417 3.659 30 20 CHED C=CCCCN(CCC)CC(=O)Nc1ccccc1C 172173489 LCIDZMLNNHGODI-UHFFFAOYSA-N 274.408 3.612 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCc2cc(F)ccc21 57141677 PGTFGHAGHTZUTJ-INIZCTEOSA-N 297.289 3.705 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1 108241563 UNTFSIKNVWENCZ-GFCCVEGCSA-N 297.383 3.586 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](C)c1ccc(Cl)s1 175580496 KETMKCMLTYKCBX-VHSXEESVSA-N 284.812 3.513 30 20 CHED CCCC[C@H](NC(=O)c1cc(C#N)cs1)C1CCC1 177126008 KSTNWYKQNIKRFC-ZDUSSCGKSA-N 276.405 3.708 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc(C(C)C)[nH]n2)c1 66727128 YDNIPAYWBCQYOV-UHFFFAOYSA-N 299.374 3.740 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc(-c3ccccc3)[nH]2)C1 179937899 CJYAVDFVONGQIU-GXTWGEPZSA-N 280.327 3.531 30 20 CHED C/C(=N\OCc1nc(C2CC2)no1)c1cc2ccccc2o1 172411620 BIYCXUNNKAZALO-VCHYOVAHSA-N 297.314 3.634 30 20 CHED C=C(C)COC(=O)c1csc(-c2ccccc2F)n1 64280311 MUHNVXWUEHSROL-UHFFFAOYSA-N 277.320 3.682 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(c2ccccc2)CC1 172078759 CMNUDNDKUTWCNP-CQSZACIVSA-N 272.392 3.540 30 20 CHED Cc1nc(CC(C)C)c(C(=O)[C@@H](C#N)c2ccccn2)s1 119954769 DYNLWHVGSPBNRT-LBPRGKRZSA-N 299.399 3.535 30 20 CHED C=CC1CCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 110366025 YSGUZGZARINTQH-LSDHHAIUSA-N 261.409 3.649 30 20 CHED CCc1ncc(C(=O)Nc2sc(C)c(C)c2C#N)s1 65048904 QXMNLHIYELVETJ-UHFFFAOYSA-N 291.401 3.508 30 20 CHED C#CCCCCC(=O)N1CCCC[C@H]1CCC(C)C 120278891 ILPLJENXSHAYOT-INIZCTEOSA-N 263.425 3.997 30 20 CHED Cc1ccc(Nc2ncccc2C#N)cc1OC(F)F 301288946 MWCUWTFVJWXUNW-UHFFFAOYSA-N 275.258 3.607 30 20 CHED C=CCN1CCC(N[C@@H](Cc2ccc(C)cc2)C2CC2)CC1 177914421 GMCGMYWBQAMQOI-FQEVSTJZSA-N 298.474 3.556 30 20 CHED Cc1ccc(N/C(N)=N/Cc2cccc(Cl)c2)cc1 303705514 KZUBVAKWQMBFTL-UHFFFAOYSA-N 273.767 3.575 30 20 CHED C#Cc1cccc(NC(=O)C[C@H](C)c2ccc(OC)cc2)c1 175220268 ZYWMFXOWNADJIG-AWEZNQCLSA-N 293.366 3.809 30 20 CHED C#CCCCCC(=O)Nc1cc(CN2CCCC2)ccc1C 120294788 SWNDYCXAOJQQNI-UHFFFAOYSA-N 298.430 3.723 30 20 CHED N#Cc1ccc2nc(NCCC[C@H]3CCCCO3)ccc2c1 302226373 PNPBLDPFXYJSLI-MRXNPFEDSA-N 295.386 3.868 30 20 CHED C=C(C)COCCNc1nc(-c2ccccc2)cs1 301691256 XRDMZXUADNBJLL-UHFFFAOYSA-N 274.389 3.815 30 20 CHED CCN(CC)CCC[C@@H](C)Nc1c(F)cc(C#N)cc1F 126966565 VXYCRBNOVWYNMG-GFCCVEGCSA-N 295.377 3.759 30 20 CHED CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(C#N)c1 74255861 DCSGTUGPOMRKIV-UHFFFAOYSA-N 297.333 3.770 30 20 CHED CC(C)N(CCC#N)Cc1ccc(F)c(Cl)c1 218995346 WUFNOJSNNUUWHE-UHFFFAOYSA-N 254.736 3.603 30 20 CHED COC[C@@H](NCC(C)(C)CC#N)c1ccc(Cl)cc1 414159916 CCYRPFOACHZCOY-CQSZACIVSA-N 280.799 3.557 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)CSCc1ccccc1 180413737 FWFPDWJVWIOMMC-AWEZNQCLSA-N 277.433 3.590 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Cl)cc1C 129829773 UCABOWKLJKUMSI-UHFFFAOYSA-N 251.757 3.687 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)CC(F)F)CCCC1(C)C 412294262 QXKOBLWCFJONDG-RYUDHWBXSA-N 273.367 3.871 30 20 CHED C=CC[C@@H](C)N[C@@H](Cc1cccc(OC)c1)C1CC1 180948584 UKKFRDYEZGZJPE-DYVFJYSZSA-N 259.393 3.571 30 20 CHED CSC(C)(C)CNc1ccc(Cl)cc1C#N 128008233 GSBKJBBZFVQYMH-UHFFFAOYSA-N 254.786 3.765 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H](C)CC(F)(F)F 413749208 PCHDSMHAYQSERH-LBPRGKRZSA-N 294.361 3.963 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(N(C)CCC)cc1 410146896 DSYJOCBYADZWOA-HNNXBMFYSA-N 274.408 3.617 30 20 CHED CCC(=O)Nc1ccc(C)c(NCc2ccccc2C#N)c1 79160279 VCFAMZIYAQQWIU-UHFFFAOYSA-N 293.370 3.827 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(OC(F)F)cc1 189884592 SLHJYAZYCXEYRS-OAHLLOKOSA-N 283.318 3.507 30 20 CHED CC(C)(CC#N)CNc1ccc(C(F)(F)F)cc1C#N 413405784 JOKATJRYLVZZMN-UHFFFAOYSA-N 281.281 3.929 30 20 CHED C#CCCCCN[C@@H](C)Cc1ccccc1SC 183617342 MFKBAIODZIURFR-AWEZNQCLSA-N 261.434 3.733 30 20 CHED CC(C)[C@H](NCCCSCC#N)c1ccc(F)cc1F 181656517 ZQPZHTBEGRLJPW-HNNXBMFYSA-N 298.402 3.898 30 20 CHED N#Cc1cc(NC2CC=CC2)ccc1C(F)(F)F 128047911 XEALIZDLKNMNSY-UHFFFAOYSA-N 252.239 3.708 30 20 CHED N#Cc1cc(F)ccc1COc1cccc(F)c1F 77567215 ZOHYDBVEVYSYKV-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CCCCCCCS[C@@H](C)c1nc(COC)no1 182134909 KJCIWFVXSNBJOF-NSHDSACASA-N 272.414 3.981 30 20 CHED C=CCC[C@H](NC[C@@H](C)CCOC)c1ccco1 414201255 MBXUGCGLEOWMAN-KBPBESRZSA-N 251.370 3.549 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](C)[C@H](C)CC 503057262 SZLZLFYKAJBXCY-CVEARBPZSA-N 273.420 3.926 30 20 CHED N#CCC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 335916670 XQMKVXCVILPMJX-UHFFFAOYSA-N 295.745 3.637 30 20 CHED COC1CCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1 414164111 ABQLUCKQNCJKPZ-FAFZWHIHSA-N 298.430 3.873 30 20 CHED C[C@H](NC[C@@H](C)Oc1ccccc1)c1cccc(C#N)c1 181965534 GEFIIWAOKPOCME-CABCVRRESA-N 280.371 3.676 30 20 CHED C=CCN(C)C(=O)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 413758972 PGOMOMKHLGORRW-USXIJHARSA-N 286.419 3.786 30 20 CHED CC(C)(NC(=O)Nc1cccc(C#N)c1)c1ccccc1 74628645 HNBHJRCAGOMUFS-UHFFFAOYSA-N 279.343 3.615 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N 180034227 ZKVJQPBTEWIVOG-AVGNSLFASA-N 289.379 3.534 30 20 CHED N#CC1(CCOc2ccc3oc(=O)oc3c2)CCCCC1 418999107 QMIBCXSOCKBZIU-UHFFFAOYSA-N 287.315 3.629 30 20 CHED CC(C)Oc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 185724581 OFHQJWWJUHXVDV-DZGCQCFKSA-N 258.365 3.968 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O 134928702 ARKIVHWKERXDOJ-YUMQZZPRSA-N 288.160 3.519 30 20 CHED CCCC(CCC)C(=O)NC1(c2cccc(C#N)c2)CC1 410604528 TUDCRGIDCATXHY-UHFFFAOYSA-N 284.403 3.880 30 20 CHED CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(C#N)ccc1C 81065495 IZJNTSQFJZBLJB-RISCZKNCSA-N 271.364 3.519 30 20 CHED Cc1cc(CSCCOC2CCC2)ccc1C#N 342130292 VETOLIQKIFCCKS-UHFFFAOYSA-N 261.390 3.669 30 20 CHED CC(C)CCN(C)c1ccc(C#N)c(Br)c1 228179960 LBYYMXSOOHOQNX-UHFFFAOYSA-N 281.197 3.803 30 20 CHED CN(Cc1ccc(F)cc1F)Cc1cc(C#N)ccc1F 43630311 YNZFBRCBZLUOJX-UHFFFAOYSA-N 290.288 3.608 30 20 CHED N#Cc1cc(/C(O)=N/[C@H]2CC23CCCCC3)ccc1F 328884204 NRNOXSIAITZCKD-AWEZNQCLSA-N 272.323 3.725 30 20 CHED C#CCCCC(=O)Nc1cc(OC)ccc1OCCCC 192069676 ZWXZSPOWANBILX-UHFFFAOYSA-N 289.375 3.616 30 20 CHED Cc1cc(/C(O)=N/[C@@H](C)CCC2CC2)c2n[nH]cc2c1 329962679 SHGZAQZTLRGRRS-NSHDSACASA-N 271.364 3.755 30 20 CHED CC[C@H]1CC[C@H](C(=O)NCC#Cc2cccc(F)c2)CC1 513220608 WXKMRRCFRXHCCI-KOMQPUFPSA-N 287.378 3.510 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(c1cnccc1C#N)CC2 511887115 CHGRHOVIEJUCHR-UHFFFAOYSA-N 291.398 3.813 30 20 CHED C=CCCCCCOc1c(OC)cccc1C(=O)N(C)C 195390328 UCZPUMQZGPUBLB-UHFFFAOYSA-N 291.391 3.522 30 20 CHED C[C@@H](CCN(CC#N)C1CCCC1)c1ccccc1 193986582 MJWWGKDEPFSZHM-HNNXBMFYSA-N 256.393 3.948 30 20 CHED C=CCN(C(=O)c1ccoc1Cl)c1ccccc1 192266294 RKAIHMZJCKEJHO-UHFFFAOYSA-N 261.708 3.766 30 20 CHED Cc1cccnc1C/N=C(/O)c1coc(C2CCCC2)n1 329933090 JBFFKXFRKIFLMR-UHFFFAOYSA-N 285.347 3.540 30 20 CHED CN(Cc1cccc(Cl)c1Cl)C[C@H](C#N)CCC#N 194078528 PKPSCVZWYQZZQR-NSHDSACASA-N 296.201 3.869 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cc(C)c(C)s2)n1 41520953 QGQPWWQTKYJSCE-SNVBAGLBSA-N 276.386 3.620 30 20 CHED OC(=Nc1ncn(C2CCCCC2)n1)[C@H]1CC12CCCC2 329552831 JZGRODKKFCBCGK-CYBMUJFWSA-N 288.395 3.952 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCc1cccc(Cl)c1 424629686 RFQRJTDUQHAVOY-UHFFFAOYSA-N 279.811 3.991 30 20 CHED CCN(CC)C(=O)[C@H](C)S[C@H](C)c1cccc(C#N)c1 190904768 VBFABYSCLRHEIA-OLZOCXBDSA-N 290.432 3.609 30 20 CHED CN(CCC1CCCCC1)C(=O)Nc1cccc(C#N)c1 510058855 CXSUTIQDXLNBHX-UHFFFAOYSA-N 285.391 3.992 30 20 CHED N#Cc1cc(Cl)ccc1CO[C@H]1CCCc2c[nH]nc21 190143613 YCVIXBHKTKSOKO-AWEZNQCLSA-N 287.750 3.529 30 20 CHED CC1(C)CCCC[C@H]1NCCCC1(C#N)CCOCC1 337205132 JWYBZVZEFIVHIE-OAHLLOKOSA-N 278.440 3.645 30 20 CHED C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CC(C)(C)C#N 335165450 NHHZWGBPEQFNET-RYUDHWBXSA-N 288.366 3.600 30 20 CHED N#CC1CCN(C(=O)Nc2ccc(C3CCC3)cc2)CC1 330220682 QMCKLSRMDCLGSJ-UHFFFAOYSA-N 283.375 3.722 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(-c2cccs2)n1 161925134 OOWDVEXJQBGWQX-SNVBAGLBSA-N 277.418 3.606 30 20 CHED Cc1cc(C(=O)Nc2sccc2C#N)nc2ccccc12 192665246 UXFWGXWEMBIMLH-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C[C@H](C)/N=C(/O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 330935684 OLZDXZHBVTZZLS-NSHDSACASA-N 292.427 3.836 30 20 CHED C=CC[C@@H]1N(C[C@H]2CCCC[C@@H]2O)CCCC1(C)C 519778744 SIBFMZSXQNHDSC-PMPSAXMXSA-N 265.441 3.604 30 20 CHED COc1cc(C#N)ccc1O[C@H](C)c1ccc(C#N)cc1 194624613 CFMZJAPFGJTUCH-GFCCVEGCSA-N 278.311 3.579 30 20 CHED CC(C)c1ccc([C@@H](NC(=O)[C@H](C)C#N)C(C)C)cc1 510338198 DGBOCCZOKNTKSB-CJNGLKHVSA-N 272.392 3.783 30 20 CHED CC(C)C1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 93670041 HUEVOMSHWWTNKF-HNNXBMFYSA-N 286.419 3.845 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[C@H](F)C1 512873141 WWTPUVBWZNTWEN-LSDHHAIUSA-N 282.403 3.655 30 20 CHED C[C@@H]1CC[C@@H](/N=C(/O)Nc2cc(C(F)(F)F)ccn2)C1 331221399 UXNSVGCWKQATDU-PSASIEDQSA-N 287.285 3.615 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccccc2F)s1 92398616 KSZYJCXDWNKQSF-UHFFFAOYSA-N 274.364 3.900 30 20 CHED C[C@@]1(CNCc2cccc(C#N)c2)C[C@@H]1c1ccccc1 339443840 AXFWPZVTSNDWRA-MOPGFXCFSA-N 276.383 3.842 30 20 CHED Cc1ccc(-c2n[nH]cc2CN(CCC#N)CC2CC2)cc1 93091235 OTKCQJPOCOCVIN-UHFFFAOYSA-N 294.402 3.511 30 20 CHED CCN(C(=O)[C@H](C)CSC)c1ccc(C#N)c(Cl)c1 91206254 GEFCOQDXBTWNDV-SNVBAGLBSA-N 296.823 3.564 30 20 CHED CCCN(CC#N)Cc1cnc(-c2ccc(C)cc2)s1 92398550 OUDSQDCFGFVCDM-UHFFFAOYSA-N 285.416 3.854 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(O)c(OC)c1 96792751 HUZGIMXHGCSLTR-NTMALXAHSA-N 298.338 3.696 30 20 CHED C[C@@H]1CN(c2cccc(Cl)c2)CCN1CCCCC#N 519742058 QCJDAQSTRVNKRO-CQSZACIVSA-N 291.826 3.544 30 20 CHED CCC[C@@H](C)N(C)C(O)=Nc1cccc(C#N)c1C 331184405 NZNJWLDDBSYVMU-LLVKDONJSA-N 259.353 3.533 30 20 CHED N#Cc1ccc(NCCCc2cccs2)cc1[N+](=O)[O-] 515173261 ROQBQMGNGOVREU-UHFFFAOYSA-N 287.344 3.573 30 20 CHED COc1ccc(C#N)cc1CN(Cc1ccccc1)C1CC1 384430283 QKSGDEZEIOWHDI-UHFFFAOYSA-N 292.382 3.731 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 331495617 GRVIBMUXEOEGLF-ZJIFWQFVSA-N 291.439 3.583 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)s1 335987017 CTANXKICLCIHPZ-AWEZNQCLSA-N 282.368 3.597 30 20 CHED C=CCCCCCN(C)c1cc(N2CCCCC2)ncn1 523533462 KNVGFMCAFKVKDN-UHFFFAOYSA-N 288.439 3.650 30 20 CHED CC(C)CO[C@@H]1C[C@H](NCC(C)(C)CCC#N)C1(C)C 344467586 YTLWJMYVBNJVFP-LSDHHAIUSA-N 280.456 3.746 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@@H]1CCCC(F)(F)C1 432345457 IDCJRKOKSWZMRI-GFCCVEGCSA-N 288.382 3.713 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCSc3ccc(F)cc32)C1 349355066 NPNOZHRFZBCGFX-MPKXVKKWSA-N 276.380 3.644 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 437986329 NUOCBJGCFDKJQR-MNOVXSKESA-N 277.343 3.644 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1CCCC[C@@H]1C 602393187 RNAXQEXZZBKANL-SWLSCSKDSA-N 288.366 3.817 30 20 CHED CCS[C@@H]1CCC[C@H](Nc2nccc(C)c2C#N)C1 343536873 SVLIVLUHRDLLOH-QWHCGFSZSA-N 275.421 3.738 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCCC2(CCC2)C1 348171945 WRNINURSMFXHEL-AWEZNQCLSA-N 254.377 3.885 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H]1C(C)=CCC[C@@H]1C 435733162 UAEUFSMKANGDFW-YVSFHVDLSA-N 263.425 3.550 30 20 CHED N#Cc1cc(COc2ccc3c(c2F)CCC3=O)ccc1F 344580578 OXFLKKBGFZEGSI-UHFFFAOYSA-N 299.276 3.544 30 20 CHED CCOC(=O)Nc1ccc(N=Cc2ccccc2O)cc1 255373654 FAFOWSJKHNQKOM-UHFFFAOYSA-N 284.315 3.711 30 20 CHED O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccco1 255322366 WRXJGMMGCNJMSK-YVMONPNESA-N 292.294 3.758 30 20 CHED CC[C@H](CNC(=O)Nc1cccc(C#N)c1)c1ccccc1 520029248 MKKYHQWSKVEMKS-OAHLLOKOSA-N 293.370 3.874 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1)CCO2 255418126 GCASNJXCRYRBTK-SDNWHVSQSA-N 280.323 3.744 30 20 CHED C=C[C@@H](C)NC1CC(c2ccc(Br)cc2F)C1 449197063 ZORYACSQQQEUFQ-GRZMOONWSA-N 298.199 3.998 30 20 CHED C=CCN(C)C(=O)Nc1ccc2c(c1)CCC1(CCC1)O2 529173334 GZBJQEWNLDKYKN-UHFFFAOYSA-N 286.375 3.584 30 20 CHED N#C[C@@H]1CC[C@H](NC[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 442775354 ALSYECDRNZTZNO-VOAKCMCISA-N 274.330 3.637 30 20 CHED Cc1ccsc1-c1noc(CNc2ccc(C#N)cc2)n1 354024812 URVWRZUBZFRPBH-UHFFFAOYSA-N 296.355 3.590 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2[C@H]3CCc4ccccc4[C@H]32)C1 359873569 PPFVHLVKETWEML-VBHNQGOESA-N 280.415 3.634 30 20 CHED C=CCC1(C(=O)Nc2nc(C)c(C)s2)CCCC1 449187432 QQHATWNFEHRNJI-UHFFFAOYSA-N 264.394 3.835 30 20 CHED COc1cccc2c1N(Cc1cc(C#N)cs1)CCC2 600179411 PGJGNYSMFDMSQN-UHFFFAOYSA-N 284.384 3.581 30 20 CHED C[C@@H](CC(=O)N(C)CC(C)(C)C#N)c1c[nH]c2ccccc12 353296723 PNRLFUOOORSJFA-ZDUSSCGKSA-N 297.402 3.670 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(CC#N)cc1 536102830 GTOADNAPNWPBJI-DOTOQJQBSA-N 284.403 3.841 30 20 CHED C=CC[C@@H](C)NC(=O)N(Cc1ccccc1)CC(C)C 604900802 KYRTXEBPKURBOE-OAHLLOKOSA-N 274.408 3.819 30 20 CHED CCc1cc(C#N)c(NC(=O)C2=C(C)CCC2)s1 532612392 QBAYYDCIKQORTA-UHFFFAOYSA-N 260.362 3.621 30 20 CHED COCCN(CCCCC(C)(C)C#N)[C@H]1CCC[C@H]1C 444692405 MBWMDXDXYMLFFK-CVEARBPZSA-N 280.456 3.843 30 20 CHED Cc1ccc(-c2ccc(CNCCC#N)s2)cc1 357533977 UDPLUELBUZEEBJ-UHFFFAOYSA-N 256.374 3.727 30 20 CHED N#CCn1c(-c2nc(C3CCCC3)no2)cc2ccccc21 609474651 RMQVLVOKRDSQRU-UHFFFAOYSA-N 292.342 3.872 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2c(ccc3ccccc32)[nH]1 358062427 HWCVSWCOSRHGLT-CYBMUJFWSA-N 291.354 3.743 30 20 CHED N#Cc1cc(F)ccc1NCCc1ccc2[nH]ccc2c1 440541295 VMNYSZPFFAZPGK-UHFFFAOYSA-N 279.318 3.833 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)NC(C)(C)CC)CCCC1(C)C 444629012 BWRRTXYAPWGLOX-CABCVRRESA-N 294.483 3.746 30 20 CHED CC1(C#N)CCN(C[C@]2(C)C[C@H]2c2ccccc2)CC1 602603866 FRFRYAXLYVNEJE-WMZOPIPTSA-N 268.404 3.806 30 20 CHED CC[C@@H](NC[C@H](CC(C)C)N(C)C)c1ccc(C#N)cc1 447539358 GVDIFOPNTGDJTC-ZWKOTPCHSA-N 287.451 3.575 30 20 CHED C=C(C)[C@H](N[C@H]1CSC[C@@H]1C)c1ccc(F)c(F)c1 449252188 UGDBCTFQQHFVLJ-LKTVYLICSA-N 283.387 3.923 30 20 CHED C[C@@H]1CCC[C@H](CN2CCC[C@]3(CCCCO3)[C@H]2C#N)C1 447924823 XOAUIRBNNYMWJK-XMTFNYHQSA-N 290.451 3.740 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@@H]1CCCC[C@H]1C 449302790 WBWZQQRNHSLBKS-HHARLNAUSA-N 265.441 3.772 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3ncon3)cc2)CCCC1 449827245 MROIGQNEDXQGJP-UHFFFAOYSA-N 297.358 3.812 30 20 CHED CC(C)(NCC1(C#N)CC1)c1ccc(Br)cc1 611430599 KHRPCUUSZRIZFC-UHFFFAOYSA-N 293.208 3.578 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NC(C)(C)C2CC2)cc1 535747297 JWTUZFJMLYWIQI-UHFFFAOYSA-N 285.391 3.798 30 20 CHED CC(C)[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 268589481 FMMOWMLXTPWLMV-MOPGFXCFSA-N 294.398 3.579 30 20 CHED C=CCC1(NC(=O)C[C@H](C)c2c(C)noc2C)CCCC1 619108076 OQTPIMXSAKEGED-LBPRGKRZSA-N 290.407 3.790 30 20 CHED CC[C@H](NC[C@]1(C)CCO[C@H]1C1CC1)c1ccc(C#N)cc1 365804356 DVDDRARUVNGMPS-FHWLQOOXSA-N 298.430 3.804 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)[C@@H](C#N)CCc1ccccc1 453005529 UYAFCMHHHBLUOV-KURKYZTESA-N 298.430 3.701 30 20 CHED C[C@H](NCC(C)(C)C1(O)CCCC1)c1ccc(C#N)cc1 453370111 FMXPOASHSIWWDD-AWEZNQCLSA-N 286.419 3.540 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)Nc1ccc(C#N)nc1 530695247 LWZJSSWEOCPPLK-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C=C(CC)CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 456828292 LFVLIWGRHIOBOL-KBPBESRZSA-N 263.768 3.526 30 20 CHED CC(C)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 618578783 YSXWLMXBPPOING-RHSMWYFYSA-N 256.393 3.982 30 20 CHED COc1cc(CN2CCC[C@](C)(C#N)C2)ccc1SC 612159552 WEYFCPYDXMKFAY-MRXNPFEDSA-N 290.432 3.543 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CC[C@H]1CCCO1 279627022 ZEWNHBRHOBGGRP-QGZVFWFLSA-N 287.403 3.551 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C 457777017 BLDBKEDZFWVWKO-XSWJXKHESA-N 293.451 3.546 30 20 CHED C[C@H](NC(=O)[C@@H](C)C1CCCC1)c1ccc(C#N)cc1 610519848 WXJUCNDTRQSKHH-STQMWFEESA-N 270.376 3.562 30 20 CHED Cc1cc(N[C@H](C)c2ccc(F)cc2F)nn1CCC#N 271035535 QELRNFGTEPEGBR-LLVKDONJSA-N 290.317 3.557 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 455315674 UQQVLRVSNBKBIH-KRWDZBQOSA-N 286.419 3.678 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2csnn2)cc1 276183420 KOEIXVBERYVPGT-HNNXBMFYSA-N 287.388 3.746 30 20 CHED C=CCC1(CN[C@H](CC)[C@H]2CCOC2)CCCC1 453354740 HVVCUJZDFBWHAL-LSDHHAIUSA-N 251.414 3.528 30 20 CHED CCC[C@H](OC)c1noc([C@@H](C)c2cccc(C#N)c2)n1 453218407 LDFZFTDVCJGUNQ-FZMZJTMJSA-N 285.347 3.581 30 20 CHED CC(C)(CCC#N)CNC(=O)NC[C@H]1CCCC(C)(C)C1 454968034 WBJAPSNXWWMKEK-AWEZNQCLSA-N 293.455 3.832 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 362962828 GNWVUYFHBRAFED-CYBMUJFWSA-N 270.357 3.501 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(OC)c2ccccc12 540397679 RNEUEFFHDCWIEM-GJZGRUSLSA-N 299.414 3.684 30 20 CHED C=CCC1(CNC(=O)[C@@H](C)C(C)(F)F)CCCC1 456510087 RGJXQWCDLWVBBW-LLVKDONJSA-N 259.340 3.530 30 20 CHED CC1(C)C[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1Cl 455699697 HQINDSVTOAQAJM-LLVKDONJSA-N 291.782 3.574 30 20 CHED C=C(CC)CNC(=O)N1CC(C)(C)[C@H]1c1cccs1 455541768 QMLZFYRIVKULLO-CYBMUJFWSA-N 278.421 3.807 30 20 CHED C=C(C)CN[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 273273942 FKVNDVDMSQJJGN-LBPRGKRZSA-N 271.364 3.526 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N[C@H](C#N)C(C)C 362059524 SLGGKCXRJCIWSM-GFCCVEGCSA-N 296.823 3.730 30 20 CHED FCC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 451389325 RXJXEBSTRANUCJ-UHFFFAOYSA-N 299.311 3.738 30 20 CHED C=CCC1(NC(=O)c2c(Cl)cnn2CC)CCCCC1 622880539 ZDYXOSFZPCWFSB-UHFFFAOYSA-N 295.814 3.565 30 20 CHED C=CCn1cc(-c2cccc(CN3CCC[C@@H]3C)c2)cn1 629702332 LSDKPZREDMUFAA-HNNXBMFYSA-N 281.403 3.720 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1O 273533118 WTAXJZNCYJAEHH-GFCCVEGCSA-N 296.345 3.743 30 20 CHED C=CCC[C@H](C)NCc1ncc(-c2ccccc2)cn1 274012014 CAGURRDOTXQIOS-AWEZNQCLSA-N 267.376 3.588 30 20 CHED C=CCCN(C)C(=O)C1(c2cccc(OC)c2)CCCC1 276335203 FGNBSZWZNDJYOU-UHFFFAOYSA-N 287.403 3.542 30 20 CHED C=CCCN(C)C(=O)c1cc2c(s1)CCCCC2 467057555 FQDIGPDKDBACLU-UHFFFAOYSA-N 263.406 3.665 30 20 CHED C[C@H](C#N)CNC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 541017935 BOLSZFWTTIYQFZ-HUUCEWRRSA-N 299.418 3.719 30 20 CHED C=CCCN(C)C(=O)NC[C@@H](Cc1ccccc1)C(C)C 469136418 UHXDXRMZGQRJBK-QGZVFWFLSA-N 288.435 3.719 30 20 CHED Cc1cccc(Oc2ccccc2NC(=O)[C@@H](C)C#N)c1 468210185 LOMBQFQJCZBDES-ZDUSSCGKSA-N 280.327 3.886 30 20 CHED CC#CCCCC(=O)Nc1c(Cl)ccc(F)c1C 279284234 XDPRWJJYVQPDJS-UHFFFAOYSA-N 267.731 3.920 30 20 CHED C=CCCN(C)C(=O)c1cccc(-c2nc(C)cs2)c1 276434228 RVMHXNDQHNJGFD-UHFFFAOYSA-N 286.400 3.767 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@H](C)c1c(C)noc1C 620858026 SNPYKQAJJBSLHV-LLVKDONJSA-N 278.396 3.646 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C#N)cc1 466971041 LHGYIGHTCOEBDY-HOCLYGCPSA-N 285.391 3.991 30 20 CHED C[C@H](OC(=O)[C@@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1 281809227 GUHFDTXSHZHAIC-SMDDNHRTSA-N 293.313 3.988 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC(c2ccsc2)CC1 281241855 FODTUPONZUADEO-OAHLLOKOSA-N 292.448 3.992 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C1CC1 556950920 ACMINJKFWYSWNX-VNQPRFMTSA-N 261.409 3.770 30 20 CHED CC#CCCN1CCC(Oc2ccc(C)c(C)c2)CC1 462315828 MWBFPYROHAWHOZ-UHFFFAOYSA-N 271.404 3.560 30 20 CHED N#Cc1cncc(N[C@H](c2ccc(F)cc2)C2CCCC2)n1 557634805 KORMOTDLTDQLJG-KRWDZBQOSA-N 296.349 3.831 30 20 CHED C[C@@H](C(=O)NCC1CCC(C)(C)CC1)c1cccc(C#N)c1 462277197 XZPWHMNQXGUNPW-CQSZACIVSA-N 298.430 3.994 30 20 CHED N#Cc1ccnc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c1 286538209 SRCKMLOMVGMIKX-BCDXTJNWSA-N 289.382 3.868 30 20 CHED CCCn1nccc1CNc1cccc(OCCCC#N)c1 389698307 BUJHPDMFAXQSDU-UHFFFAOYSA-N 298.390 3.588 30 20 CHED N#Cc1c(F)cccc1SCC(=O)C1CCCCC1 559629014 BDUWRGHIYXCPEG-UHFFFAOYSA-N 277.364 3.939 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc4c(c3)CCC4)no2)s1 386258545 XPAOEWZMIZFOCI-UHFFFAOYSA-N 293.351 3.825 30 20 CHED C=CCC[C@@H](NC[C@@H](C)CN1CCCC1)c1ccco1 556863287 XDTMNMROXVMDLT-HZPDHXFCSA-N 276.424 3.608 30 20 CHED Cc1cc(C(=O)N(CC#N)C2CCCC2)c(C)cc1Cl 476085159 RUUGVCGTWVRLNX-UHFFFAOYSA-N 290.794 3.865 30 20 CHED CCCC(C#N)(CCC)NC(=O)C1C(C)(C)C1(C)C 475731525 NTISCGJFOQSELH-UHFFFAOYSA-N 264.413 3.647 30 20 CHED CC(C)(CCC#N)CN1CC(C)(C)[C@@H]1c1ccncc1 293996994 SMMPOVVPZLWMQS-HNNXBMFYSA-N 271.408 3.794 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(OCCCC)cc1C 296294922 FICUNDVSBBTYSI-UHFFFAOYSA-N 288.391 3.661 30 20 CHED CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)CCC#N 563220108 ORHJAHGIXAWQNG-KBPBESRZSA-N 260.381 3.817 30 20 CHED N#Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1Cl 297971439 YFNZSNPDHAQKRL-INIZCTEOSA-N 299.761 3.624 30 20 CHED C[C@@H]1CCC[C@@H](CCSCCO[C@H](C)C#N)C1 802751216 GTYISFPOAAIMKK-MCIONIFRSA-N 255.427 3.865 30 20 CHED C#C[C@H](CC)N[C@@H](C)Cc1ccc(F)cc1Br 809686719 JAQWNVHNIQEKSD-GXFFZTMASA-N 298.199 3.521 30 20 CHED CC#CC(=O)N(CC)C(c1ccccc1)c1ccccc1 801165469 BFXPMFVHUFBKKZ-UHFFFAOYSA-N 277.367 3.648 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 566639441 OMYZMAKEPPOLBA-LBPRGKRZSA-N 286.350 3.867 30 20 CHED CC(C)N(C)C(=O)Nc1ccccc1C#Cc1ccccc1 473805956 DJCRZECJENTYCX-UHFFFAOYSA-N 292.382 3.959 30 20 CHED CCCCCCCCCC(=O)NCC1=CCCOC1 807847618 ZNEWJRGPOXZNAR-UHFFFAOYSA-N 267.413 3.590 30 20 CHED CC[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1 291696458 KDDMSVYRWHVWEL-RHSMWYFYSA-N 272.392 3.625 30 20 CHED C=CCN(CCC(C)(C)CC(=O)O)Cc1cccs1 566358633 JQJYSHQFBWIILB-UHFFFAOYSA-N 281.421 3.627 30 20 CHED CC(C)(C#N)CCNc1ccc([C@@H]2CCOC2)cc1 297565942 GJCRADWIBNPABB-CQSZACIVSA-N 258.365 3.542 30 20 CHED C=CCN(C(=O)c1cnn(CC(C)C)c1C)c1ccccc1 647741864 MWVBDRLUVAVERQ-UHFFFAOYSA-N 297.402 3.680 30 20 CHED C=CCC(C)(C)c1noc(Cc2c(F)cccc2F)n1 645623813 PFKLEPDGCVQHRR-UHFFFAOYSA-N 278.302 3.792 30 20 CHED C=CCCCCCCNC(=O)NC[C@@H](C)c1nccs1 805278642 HAXPWFIHJYLQFG-CYBMUJFWSA-N 295.452 3.682 30 20 CHED N#CCCCC(=O)N(CC1CCC1)c1ccccc1 291270311 DWMMMFVGUAFYHH-UHFFFAOYSA-N 256.349 3.514 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N1CCc2cc(C#N)ccc21 561064913 OTVXFSFDSACKFD-HIFRSBDPSA-N 282.387 3.664 30 20 CHED CC(C)(C(=O)N[C@@H](C#N)C(C)(C)C)C1CCCCC1 813284014 LJMPVFVGXKTOAF-ZDUSSCGKSA-N 264.413 3.647 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCc4ccccc4C3)CC2)c1 560072018 VKSAUBHMEBPEPW-IBGZPJMESA-N 288.394 3.694 30 20 CHED C=CCCCCCCCNC(=O)N(C)Cc1ccccn1 812493512 MGMDZBKNCZXJHC-UHFFFAOYSA-N 289.423 3.750 30 20 CHED C(=NOC1CCC1)c1cccc(-c2cccnc2)c1 812237151 MJKAPVYZWYKBOS-UHFFFAOYSA-N 252.317 3.652 30 20 CHED C=CCCS(=O)(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 480989980 KNDYRWOHZKPLQT-OAHLLOKOSA-N 295.448 3.578 30 20 CHED COCCC(=NNc1ccc(F)c(F)c1F)C(C)C 814945885 VHVWISPPXYPRBJ-UHFFFAOYSA-N 274.286 3.564 30 20 CHED C[C@]1(C#N)CCCN(CCc2ccc(F)cc2Cl)C1 811489191 YZDHZIRMFXPNLM-OAHLLOKOSA-N 280.774 3.647 30 20 CHED Cc1cc(F)ccc1C1CCN(c2cnccc2C#N)CC1 488452642 VUCIWFFYIHXCCU-UHFFFAOYSA-N 295.361 3.785 30 20 CHED CC(C)[C@@H](C=NOCCC1CC1)CNC(=O)OC(C)(C)C 814245488 USKFCZXRRIBHGI-CQSZACIVSA-N 298.427 3.586 30 20 CHED C=CC[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 487632225 KWCFNWSFCJGLQV-SFHVURJKSA-N 279.383 3.971 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1O 811699782 ZKDHSPWAWZLAAB-YWEYNIOJSA-N 288.730 3.950 30 20 CHED CC1(C)CCC[C@H]1CNc1snc(Cl)c1C#N 814948810 GIFGEAWUIXGIQX-QMMMGPOBSA-N 269.801 3.906 30 20 CHED C=CCCCCC[C@@H](C)NCCc1nnc(C)s1 810242978 JSKMEZOJFYFUOJ-GFCCVEGCSA-N 267.442 3.504 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1=CCCCC1 579465644 WXCVCVKWTRKCGY-CQSZACIVSA-N 297.402 3.761 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H](c2ccc(F)cc2)CC1 481437521 GUGFXULEDSUNBZ-YJBOKZPZSA-N 291.410 3.722 30 20 CHED C=CCCn1cc(CNc2cccc(C(C)C)c2)nn1 657320652 DPSKIRORJIZPCD-UHFFFAOYSA-N 270.380 3.590 30 20 CHED C=CCCC(=O)NC[C@@H](C)Oc1ccc(C(C)C)cc1 570953074 SAGGOQCVTFEDPY-CQSZACIVSA-N 275.392 3.660 30 20 CHED N#CCCC[C@H](NC[C@H]1CCCC[C@@H]1O)c1ccccc1 577955672 CLQGLKGFNBNZNA-SQNIBIBYSA-N 286.419 3.562 30 20 CHED CC(C)(C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 481074800 SAQKXKMFLRYJOL-ZDUSSCGKSA-N 287.363 3.729 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCCCCC1 571603736 ZLRVQPQJGGNFTO-UHFFFAOYSA-N 282.391 3.512 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNC[C@H]1CCSC1 811659813 ZHSHYTOIQZIORF-KGLIPLIRSA-N 268.470 3.921 30 20 CHED C[C@@H]1CCCC1=NNCc1ccc(C(F)(F)F)cc1 729141700 DCNVTXZYLMZNBR-SNVBAGLBSA-N 270.298 3.971 30 20 CHED C#C[C@H](NCc1cncn1C(C)C)c1ccc(Cl)cc1 491418787 SKZBFRXGZAGZQF-INIZCTEOSA-N 287.794 3.582 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2[C@H]2CCCOC2)cc1Cl 575746321 UEYQHQVDYZZKNB-XJKSGUPXSA-N 290.794 3.607 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 576416536 CAEJILIBCGKTNR-GOSISDBHSA-N 286.419 3.882 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC(C)(C)[C@@H]1c1cccnc1 571645087 MGEGUIWTXVNSJG-WMLDXEAASA-N 272.392 3.593 30 20 CHED CC(=NNc1ncccn1)c1ccc(SC(C)C)cc1 728425459 HEFXYAHCRCXMHV-UHFFFAOYSA-N 286.404 3.813 30 20 CHED O=C1/C(=C2/COc3ccc(F)cc32)Cc2c(F)cccc21 729149178 GHRZEPQIAZOJST-YPKPFQOOSA-N 284.261 3.550 30 20 CHED C=CCCCCCCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 823629247 MERSUIVEDMCAEZ-LSDHHAIUSA-N 277.412 3.504 30 20 CHED C[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727927551 MRDFDAIJZNHQOA-SZEHBUNVSA-N 284.142 3.552 30 20 CHED C=CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 826915171 FDXHJVKFMDWAOO-UHFFFAOYSA-N 275.135 3.567 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(OCC)c2)C1 665793824 SCSNCHFKTKOFCX-AWEZNQCLSA-N 288.391 3.905 30 20 CHED N#Cc1ccc(Oc2nc3ccc([N+](=O)[O-])cc3s2)cc1 729629231 UJDNSXXUDGHJAZ-UHFFFAOYSA-N 297.295 3.868 30 20 CHED CC1(C)C[C@H](NCC2(C#N)CC2)c2ccccc2S1 903109895 WVUZFPULIFZJFT-ZDUSSCGKSA-N 272.417 3.895 30 20 CHED CCSc1ccc([C@@H](C)NC(=O)C#CC(C)C)cc1 826100243 OJOJDJJHTXDWCN-CYBMUJFWSA-N 275.417 3.635 30 20 CHED CC[C@H](NC[C@@H](C)c1ccncc1)c1cccc(C#N)c1 902832494 NLYZTPZFMKWQAH-KDOFPFPSSA-N 279.387 3.798 30 20 CHED C=CCCNC(=O)N[C@H](C)c1cccc(C2CC2)c1 661246623 DUWLUHHXDCHORX-GFCCVEGCSA-N 258.365 3.500 30 20 CHED C#C[C@H](NC(=N)Nc1ccccc1)c1ccc(Cl)cc1 491619787 BURFPCLYBIXMIA-HNNXBMFYSA-N 283.762 3.651 30 20 CHED N#Cc1ccc(OC(=O)C[C@@H]2CCc3ccccc3C2)cc1 732532305 ZAMDOLMABNTYEB-OAHLLOKOSA-N 291.350 3.659 30 20 CHED CC[C@@H](N[C@H](C)Cc1c(C)noc1C)c1cccc(C#N)c1 902811818 HOOZRVKLVLCHRM-KZULUSFZSA-N 297.402 3.835 30 20 CHED CCCc1cccc(/C=C\C(=O)c2cn(C)nc2C)c1 588509480 ZQOPKJOXWWJYOM-KTKRTIGZSA-N 268.360 3.577 30 20 CHED CCn1cncc1/C=C\C(=O)c1cc2c(s1)CCCC2 901486290 ZUXITUHRCFDHFG-FPLPWBNLSA-N 286.400 3.739 30 20 CHED N#CC1(c2ccc(-c3ccc(O)nc3F)cc2)CCC1 906170795 JTSGLNILQGJWLF-UHFFFAOYSA-N 268.291 3.539 30 20 CHED C#CCC[C@@H](C)OC(=O)Cc1c[nH]c2cc(Cl)ccc12 839036111 RAPKXIDHOYBZFT-LLVKDONJSA-N 289.762 3.709 30 20 CHED C=CC[C@H](NC(=O)NCC(C)(C)CC=C)c1ccncc1 838479066 YPVNOTNHTFDNSB-HNNXBMFYSA-N 287.407 3.600 30 20 CHED C=CC[S@@](=O)[C@H](C)c1ccc(C(C)(C)C)cc1 905198668 GPXQUECNMVOTPI-SJKOYZFVSA-N 250.407 3.980 30 20 CHED Cc1cc(/C=C2\Cc3cc(F)ccc3C2=O)cc(C)c1O 734305456 VYAKWSPRQNEGJM-VGOFMYFVSA-N 282.314 3.971 30 20 CHED Fc1ccc(C=NNc2cc(F)c(F)cc2F)c(F)c1 734302697 KKWYPZMYLSLOFY-UHFFFAOYSA-N 286.203 3.828 30 20 CHED CCO[C@@H]1CCC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 902983433 ZMHBDKMXLXGUPX-LSDHHAIUSA-N 292.810 3.649 30 20 CHED C=C(Cl)CN[C@H](CCCCOC)c1ccccc1 839587902 PREMWZKUXBUPLD-OAHLLOKOSA-N 267.800 3.887 30 20 CHED C=CC[C@H](OC(=O)[C@H]1CC1(F)F)c1ccccc1 835325889 YKEJZQSTCKSBRL-NEPJUHHUSA-N 252.260 3.502 30 20 CHED C#CCCCCCC(=O)NC1(CC=C)CCCCC1 836957571 UWSIZQFMOCUXIN-UHFFFAOYSA-N 261.409 3.965 30 20 CHED Cc1ccc(NN=C2C[C@@H](C)n3ccnc32)c(Cl)c1 835012399 SQWJIIOKMZRHPX-SNVBAGLBSA-N 274.755 3.626 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1CCC(OC(F)F)CC1 583646680 CQTBANDAWDGNIQ-PNESKVBLSA-N 289.366 3.645 30 20 CHED C=CCCCc1nc(C2(c3cccc(OC)c3)CC2)no1 583348361 LFWSENWBGVTAQG-UHFFFAOYSA-N 284.359 3.667 30 20 CHED C=CCCC[C@@H](N)c1nc(Cc2ccc(Cl)cc2)no1 900003209 CWVPVYCZWXXHLL-CYBMUJFWSA-N 291.782 3.670 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(C(F)(F)F)cn1 903007647 DPYDKPJYNJHNMF-SNVBAGLBSA-N 258.287 3.717 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(O)c1Br 908709448 KZQUDHUZQQDDEZ-ZDUSSCGKSA-N 298.180 3.696 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCC#Cc1ccccc1 835090881 GPCOFLJCHUIAOL-ZDUSSCGKSA-N 284.277 3.560 30 20 CHED N#Cc1cccc(Cl)c1NCCc1ccc2c[nH]nc2c1 588048336 KQTGBPSFMOFBKO-UHFFFAOYSA-N 296.761 3.743 30 20 CHED CN(C(=O)c1ccsc1C#N)[C@@H]1CCCc2ccccc21 901509998 VXNDBUACRANWTF-OAHLLOKOSA-N 296.395 3.769 30 20 CHED C=CC[C@@H](NC(=O)N(CC)[C@@H](C)C(C)C)c1ccncc1 734678339 GEZIYPVITLZPNW-GOEBONIOSA-N 289.423 3.775 30 20 CHED C[C@H](C#N)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 736675962 PGCNLMFOEZUXBO-ZWNOBZJWSA-N 296.292 3.529 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC1(Cl)Cl 732644409 SALOYQCIJBRFHH-LBPRGKRZSA-N 290.234 3.775 30 20 CHED C=CCON=C1CC[C@@H](c2ccccc2)C[C@H]1OC 835015056 OUYYNXXJMJCPOL-GDBMZVCRSA-N 259.349 3.528 30 20 CHED COc1ccccc1CON=Cc1ccc(Cl)cc1 836690566 KADGGXCZIQJACX-UHFFFAOYSA-N 275.735 3.899 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H]1CCCc2sccc21 839038763 ZAMUFFXFZPLLCJ-AAEUAGOBSA-N 262.374 3.513 30 20 CHED FC(F)Oc1ccccc1C=NNc1ncccc1Cl 917549051 HIYUADPFAJSDAH-UHFFFAOYSA-N 297.692 3.782 30 20 CHED N#C[C@H]1CCC[C@H](NCC2(c3ccccc3F)CCC2)C1 593642905 RAYDWOHNOOBHFW-GJZGRUSLSA-N 286.394 3.919 30 20 CHED C=CCn1c(SCCCOC(C)(C)C)nnc1C1CC1 674904343 RZYQWYMRVUTBRF-UHFFFAOYSA-N 295.452 3.639 30 20 CHED C#CC(C)(C)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F 741695623 FZUWOULCWWUPPQ-NSHDSACASA-N 297.320 3.727 30 20 CHED CC[C@H](C)[C@@H](C/N=C\c1cc(Cl)ccc1O)OC 840705573 FCEJBRIOBQBVLJ-SCDYTWBZSA-N 269.772 3.526 30 20 CHED CCc1ccccc1NN=Cc1ccc(OC)c(F)c1 915051710 NYOLNJTXGLPRQL-UHFFFAOYSA-N 272.323 3.843 30 20 CHED CCC1(CC)CCCN(C(=O)c2cccc(F)c2C#N)C1 598220976 SORQFCSGRIJSKU-UHFFFAOYSA-N 288.366 3.740 30 20 CHED N#CC[C@H]1CCCN(Cc2coc(-c3cccs3)n2)C1 595612611 YKPQMDZKANBGIN-GFCCVEGCSA-N 287.388 3.529 30 20 CHED CC(C)CCOc1ccc(C(=O)OCCCCC#N)cc1 912956128 OBQSZAVUFZRFEW-UHFFFAOYSA-N 289.375 3.962 30 20 CHED COc1ccc(/C=C2/CCc3cc(C#N)ccc3C2=O)cc1 742437693 PGNUHXLESIKTKJ-YBEGLDIGSA-N 289.334 3.779 30 20 CHED C=CCC[C@H](C(=O)OCc1ccns1)c1ccccc1 847832342 HXYCDHHWPQWBBD-HNNXBMFYSA-N 287.384 3.936 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC1CC(C(F)F)C1 840970506 AKTHOHSCOCAXBI-SLTAFYQDSA-N 265.347 3.807 30 20 CHED N#CCCCCCC(=O)N[C@H]1CCCc2cc(C#N)ccc21 591316402 AVZIYLYZGUIYKH-KRWDZBQOSA-N 295.386 3.526 30 20 CHED C[C@@H]1CN(C(=O)/C=C\c2ccccc2C#N)c2ccccc21 915634261 BKSAIISKTFMOAM-IWMPZKFUSA-N 288.350 3.722 30 20 CHED C#CCN(CC)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 746965223 AXMWFEIFCDZWNQ-JTQLQIEISA-N 299.201 3.719 30 20 CHED C#CCOc1ccc([C@H](C)NCc2ccc(C)c(C)n2)cc1 840785387 XXRAWRKDJIPYMF-INIZCTEOSA-N 294.398 3.561 30 20 CHED C#Cc1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1 911583903 BKACVOZGBJCWNF-UHFFFAOYSA-N 274.323 3.710 30 20 CHED COc1cccc(/C=N\[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1O 741845405 TXDFOXBXKUGYMH-HPHCMBEUSA-N 273.376 3.789 30 20 CHED Cc1cc(/C=C2\CCc3c(C)ccc(C)c3C2=O)n(C)n1 841486954 LPNVMGLBFOJNBS-GXDHUFHOSA-N 280.371 3.558 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(Cl)cc1O 841753094 SBBLDNCPIHPBES-HSMVNMDESA-N 295.810 3.677 30 20 CHED C=CCn1c2ccccc2n2nc(C)c(C(C)=NOCC)c12 915958134 ODHISUOTNCFHBX-UHFFFAOYSA-N 296.374 3.544 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@H]1CCC(C)C 590175180 SGQKGQOPCIQQLM-HOTGVXAUSA-N 278.440 3.975 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](/N=C\c2ccccc2O)C12CCC2 849171581 AAMYVNQZJVCZCB-PYNDNQFYSA-N 287.403 3.937 30 20 CHED C=CCCSCCNC(=O)c1c(C)cc(C)cc1C 597968627 KSGXFJWTUHKBOG-UHFFFAOYSA-N 277.433 3.651 30 20 CHED CC[C@H](OCCN1CCC(CC#N)CC1)c1ccccc1 593023365 RHALJIPFXGOIRK-SFHVURJKSA-N 286.419 3.780 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)c2cccc(F)c2)c1 741921751 ZDMPNPSHQVXOAG-AWEZNQCLSA-N 295.357 3.964 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCC[C@@H]1CCC 590639025 AAEJXXYJMARHOU-GJZGRUSLSA-N 266.429 3.953 30 20 CHED CC(C)(CC#N)CNC(=S)Nc1ccc(F)c(Cl)c1 840845817 QSMFFRAJSGDFSP-UHFFFAOYSA-N 299.802 3.705 30 20 CHED C=CCCCCNC(=O)N(Cc1ccc(C)o1)C1CC1 681191970 RSBCAZZAIMOYRI-UHFFFAOYSA-N 276.380 3.618 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)C[C@H](O)CC(C)(C)C#N 598586086 OFLDXKRPGMYCRL-QWHCGFSZSA-N 294.826 3.634 30 20 CHED CCC#C[C@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 680380273 RXAPEFZBANVLHE-KBPBESRZSA-N 299.393 3.772 30 20 CHED C[C@@H](CCN1CCC[C@@H](CC#N)C1)c1ccccc1 597176135 FSMLBKQLTQUECD-HOTGVXAUSA-N 256.393 3.806 30 20 CHED C/C(=C/C(=O)N(CC#N)c1ccccc1)C(C)(C)C 744361582 YWCIACGEZGOODL-SEYXRHQNSA-N 256.349 3.536 30 20 CHED C[C@H](NC(=O)/C=C/c1cccc(F)c1)c1cccc(C#N)c1 743776653 DBYZQONOSGKONO-XEHSLEBBSA-N 294.329 3.588 30 20 CHED C=C(Br)CN(CCC)Cc1ccc(OC)cc1 746650942 FPMPIIBLLWIFTG-UHFFFAOYSA-N 298.224 3.816 30 20 CHED CO[C@@H](CN[C@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 925158967 VYTAYIXVZKOQTH-DOMZBBRYSA-N 294.826 3.945 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(OC)cc1Cl 683788988 YALAXHSHWHZDBB-LLVKDONJSA-N 279.767 3.529 30 20 CHED Cc1cccc2c1OCCC2=NOCc1ccccc1 920376284 XYRSRYQZOQJEDF-UHFFFAOYSA-N 267.328 3.698 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@H](C#N)C1 928221576 NLVOXWBEOIBPGO-CEFACKQISA-N 288.778 3.505 30 20 CHED N#Cc1cccc(NN=C2CCc3c(F)cc(F)cc32)c1 752723431 KZUIXTPCYPOMJQ-UHFFFAOYSA-N 283.281 3.599 30 20 CHED C[C@H]1C[C@@H]1C=NNc1cccc(Br)c1 758374900 ZBHJFBSPFGSGCS-DTWKUNHWSA-N 253.143 3.503 30 20 CHED C#CC[C@H](Nc1ncnc2cccc(F)c12)c1ccccc1 756956335 BUEKNPDPKKEFEZ-HNNXBMFYSA-N 291.329 3.945 30 20 CHED C#CC[C@H](N[C@@H](C)c1cccc2c1OCO2)c1ccccc1 925638012 WUDOQGBOKHNIRQ-YOEHRIQHSA-N 293.366 3.831 30 20 CHED Oc1c(Cl)cc(Cl)cc1C=NO[C@H]1CCCCO1 755824330 PUSPRYVGRKMSHQ-NSHDSACASA-N 290.146 3.576 30 20 CHED C#CC[C@@H](NCc1ccc2c(c1)COC2)c1ccccc1 756995912 MHKCEAOXIDJKBC-LJQANCHMSA-N 277.367 3.571 30 20 CHED CCCC[C@@](C)(F)C(=O)NCc1ccc(C#N)c(Cl)c1 854371865 MTKIAQAASIKYLL-OAHLLOKOSA-N 296.773 3.746 30 20 CHED C#CCCCC(=O)Nc1ccc(Cl)c2cccnc12 757918963 BOQLBIWQTNWJDN-UHFFFAOYSA-N 272.735 3.630 30 20 CHED N#Cc1ccc(O)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 756788350 KTODZFWFPDNYBH-QLFBSQMISA-N 298.386 3.809 30 20 CHED C=C(C)COC(=O)Cc1cccc2ccc(OC)cc12 754306630 PYNQNTFPDNQALW-UHFFFAOYSA-N 270.328 3.510 30 20 CHED CC#CCCCC(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 855550431 MGTRUWLSFCFVBV-QGZVFWFLSA-N 285.387 3.579 30 20 CHED COc1ccccc1C(C)=NNc1ccc(F)cc1C 750938772 OGOSQRQSQJIHFO-UHFFFAOYSA-N 272.323 3.979 30 20 CHED COc1ccc(Cl)cc1N=Cc1cccc(O)c1O 920946243 WABNSOKNWOXIBP-UHFFFAOYSA-N 277.707 3.510 30 20 CHED COc1ccc(Cl)cc1CN[C@H](C)CC(C)(C)C#N 924838960 QNBFTQOCERCLTI-LLVKDONJSA-N 280.799 3.767 30 20 CHED CO[C@@H](C=NNc1ccc(Cl)cc1Cl)C1CC1 853275726 WKKQACNSDSOKLK-LBPRGKRZSA-N 273.163 3.816 30 20 CHED C#CC[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1 756957007 IUTXRHDCZAXQDL-CQSZACIVSA-N 266.300 3.771 30 20 CHED Cc1cc(C(=O)OC[C@@H](C#N)Cc2ccccc2)sc1C 750782691 DSUMVZPQRCEUSP-OAHLLOKOSA-N 299.395 3.904 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CCc3c(OC)cccc32)c1 759643375 MICBLWNSSOUMML-YDDPGSGASA-N 297.354 3.516 30 20 CHED C=CCCCCCCCNC(=O)c1ccnn1C(F)F 854499771 KTOLQODXQUPYRP-UHFFFAOYSA-N 285.338 3.535 30 20 CHED C#C[C@@H](CC)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 754389750 DVMJGYNDNJZNEN-KOLCDFICSA-N 284.186 3.625 30 20 CHED C#CCCCCCC(=O)NCc1ccc(Cl)c(C)c1 754688567 WHACJTACKBKQED-UHFFFAOYSA-N 277.795 3.848 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CCCOc2ccccc21 931362248 HWRBRSMSIDSSNH-HIFRSBDPSA-N 273.376 3.619 30 20 CHED CCn1c(C)cc(C=NNc2cc(F)cc(OC)c2)c1C 759206512 LUCNHHLNEIFQAH-UHFFFAOYSA-N 289.354 3.719 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CC=C)c1ccncc1 758489021 ZHUSBLOCUJUUAS-MRXNPFEDSA-N 270.376 3.583 30 20 CHED C1=C[C@H]2C[C@H]1C[C@@H]2C=NNc1nccc2sccc12 755650495 IUVAKOTZPKJESF-SDDRHHMPSA-N 269.373 3.906 30 20 CHED COc1cccc(C)c1/C=C1\CCc2scnc2C1=O 863198814 UIYTXVQZXOOIKZ-DHZHZOJOSA-N 285.368 3.673 30 20 CHED COc1cccc(NN=C(C)c2ccc(C(C)(C)O)cc2)c1 767362709 YEQUAHDWTOIYJO-UHFFFAOYSA-N 298.386 3.759 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1ccc(C(=O)O)cn1 763370154 LOUKPCJTVZWFEJ-UHFFFAOYSA-N 297.358 3.509 30 20 CHED Cc1cccc(NN=Cc2cnc(C(C)(C)C)s2)n1 863162142 VIMJXHHGYCWVBL-UHFFFAOYSA-N 274.393 3.590 30 20 CHED C=CCCCC(=O)OCc1ccc(OC)c(Cl)c1 761813951 UTDVGCJDZYMVGK-UHFFFAOYSA-N 268.740 3.748 30 20 CHED C=C[C@H](CC)CC(=O)N1CC=C(c2ccccc2)C1 935289968 GCUAIVDPMOQLJG-CQSZACIVSA-N 255.361 3.515 30 20 CHED CCCCCCCNC(=O)c1sccc1CN(C)C 862358382 FERKPYNDQUGXSF-UHFFFAOYSA-N 282.453 3.510 30 20 CHED CSc1ccc(/C=C\C(=O)O[C@H](C)C(C)(C)C#N)s1 860623506 LZBIRHRBOTVDET-ONRRBMGISA-N 295.429 3.965 30 20 CHED CC[C@@H](NCCCSCC#N)c1cc(F)ccc1OC 932475466 UUAIGQRMQIFZFX-CQSZACIVSA-N 296.411 3.522 30 20 CHED Cc1ccccc1C[C@H](C)Nc1cccc(OCC#N)c1 768518462 FVDCRKDUKJLVFN-HNNXBMFYSA-N 280.371 3.941 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CCC[C@H]3C)[nH]c12 769300773 UEJBKLXPNONLAG-MRVWCRGKSA-N 295.386 3.874 30 20 CHED CCC(CCc1ccccc1)=NNCC(F)(F)F 863107763 CONIYPWBVQELHQ-UHFFFAOYSA-N 258.287 3.537 30 20 CHED C#Cc1cccc(NCc2nc3ccc(Cl)cc3n2C)c1 766447463 RHJVYKQUCKDOPE-UHFFFAOYSA-N 295.773 3.820 30 20 CHED CC(=NNCc1ccccc1)c1nc2c(s1)CCCC2 761250790 OQKJAZYFBKLIKJ-UHFFFAOYSA-N 285.416 3.536 30 20 CHED O=C(/C=C\c1cncs1)c1cc2c(s1)CCCC2 767731095 WFQNNUGQUNDKHS-WAYWQWQTSA-N 275.398 3.980 30 20 CHED N#CC1(COC(=O)c2cc3ccc(F)cc3s2)CCC1 768090400 DLBTWBLTJYFYSL-UHFFFAOYSA-N 289.331 3.891 30 20 CHED C#CCN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1 763795016 KRYDOBTYIHFOBZ-RTBURBONSA-N 289.378 3.568 30 20 CHED Cc1c(Br)cccc1CON=C1CCC1 761311484 CAXCYNAWUKZUAH-UHFFFAOYSA-N 268.154 3.814 30 20 CHED C#C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 767528017 ZKEDJKIADHRXLQ-FHWLQOOXSA-N 290.362 3.898 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc([C@@H]2C[C@H]2C)o1 761884306 DDKXGPGAAVTFRA-ZWNOBZJWSA-N 288.322 3.997 30 20 CHED C=C(C)CNC(=S)N(C)c1ccc(C(C)C)cc1 763141637 NRABVPZOXNJTIX-UHFFFAOYSA-N 262.422 3.697 30 20 CHED CC1=CC(=NNc2cncc(Br)c2)CCC1 1116391406 CEUJQOYTJZUIEW-UHFFFAOYSA-N 280.169 3.742 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1cc(C#N)cc(Cl)n1 773207814 MAJJTCJKLQMOEW-DGCLKSJQSA-N 288.782 3.997 30 20 CHED Clc1ccc(C=NNc2cc(Cl)ccn2)cc1 777907213 POOVLHWKYMACRM-UHFFFAOYSA-N 266.131 3.834 30 20 CHED Cc1oc(C(C)C)cc1C(=O)N[C@@H](C#N)C1CCCC1 1119506135 KHUMOOOUJWFIPU-AWEZNQCLSA-N 274.364 3.524 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](CC)[C@H](O)c1c(F)cccc1F 773028928 IODIXWHENUTELQ-HJXMPXNTSA-N 297.389 3.967 30 20 CHED C=CC(C)(C)CC(=O)NCC1(c2ccc(F)cc2)CC1 878268551 BEIAJUXHWGIYDQ-UHFFFAOYSA-N 275.367 3.576 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1cc(Cl)ccn1 777905669 NJFFYDHDYYMOCF-UHFFFAOYSA-N 275.714 3.637 30 20 CHED COC[C@@H](C)NN=Cc1c(Cl)ccc(Cl)c1Cl 777894107 ZXIRVVBKRZMWQK-SSDOTTSWSA-N 295.597 3.605 30 20 CHED N#CCc1ccccc1CC(=O)O[C@@H]1CC[C@@H]2CCC[C@@H]2C1 771016437 OHNFELDUEFVLHI-YXJHDRRASA-N 297.398 3.807 30 20 CHED C=CC[C@H](C)NCc1cc(Br)ccc1F 116927689 ODVBDMWDMQLMBL-VIFPVBQESA-N 272.161 3.642 30 20 CHED C=CCC[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 778320135 NRYXNHMOPIOLCC-AWEZNQCLSA-N 270.332 3.672 30 20 CHED Cc1ccccc1CCC(=O)O[C@@H](C#N)C1CCCCC1 776383058 HHDOXRUOLJIZMQ-KRWDZBQOSA-N 285.387 3.943 30 20 CHED C#CCCCCC(=O)Oc1ccc(Br)c(C)c1 773802020 KMHUVVUZRVJTNS-UHFFFAOYSA-N 295.176 3.857 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(F)c(Cl)c1F 776399242 IPLCRERGONZCRM-UHFFFAOYSA-N 287.693 3.715 30 20 CHED C=CCCCCOC(=O)c1cc(C(F)(F)F)ccn1 884648277 NQRUTGXFVIKPGF-UHFFFAOYSA-N 273.254 3.614 30 20 CHED CC(C)(CNc1cccc(OCC#N)c1)c1ccccc1 779587534 APMWLBUAGDTZKU-UHFFFAOYSA-N 280.371 3.979 30 20 CHED C#CCOc1ccccc1N[C@H](C)c1cccc(C#N)c1 775587048 RAMJEPWZKKEDEZ-CQSZACIVSA-N 276.339 3.743 30 20 CHED CCC(=O)N(C)c1ccc(NCC(C)(C)CCC#N)cc1 883310752 ZGMILTRGWGJKAR-UHFFFAOYSA-N 287.407 3.801 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2ccc(SC)cn2)cc1 777206656 WOBYNUAQFXAJKB-CYBMUJFWSA-N 298.411 3.989 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(Cl)cn1 774399104 LSZCTPFOGJEIEV-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 779922449 INZFVUUHMGLHEA-ARFHVFGLSA-N 261.409 3.655 30 20 CHED CC(C)c1ccccc1C(=O)Nc1cccc(OCC#N)c1 1125148364 BHIPZJVLLHTRJX-UHFFFAOYSA-N 294.354 3.965 30 20 CHED COc1ccc(CNCc2ccccc2C(C)C)cc1C#N 782539170 FVBDHIVEHIKBIS-UHFFFAOYSA-N 294.398 3.980 30 20 CHED Cc1ccc(C)c(NC(=S)N2CCC[C@@](C)(C#N)C2)c1 783774006 QJJXFGRREZDGOX-INIZCTEOSA-N 287.432 3.626 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(-n2cccn2)cc1 785759533 LNSWPFZWGDZOEU-QGZVFWFLSA-N 284.359 3.518 30 20 CHED FC(F)(F)c1ccc(CON=C[C@H]2CCSC2)cc1 782255733 XASHAFPPEXROIV-LLVKDONJSA-N 289.322 3.961 30 20 CHED CCC[C@H](C)C(CC)=NNc1ncncc1Cl 780275123 KGWNFWTVTZDBHV-VIFPVBQESA-N 254.765 3.744 30 20 CHED C=C1CC(c2noc([C@@H](C)OCc3ccc(F)cc3)n2)C1 896877747 UNGYCNVPCGVQFC-LLVKDONJSA-N 288.322 3.920 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)Cc2ccc(F)cc21 899362560 XBJDXLAOBISJET-MLPAPPSSSA-N 282.318 3.570 30 20 CHED C=C1CC(c2noc(-c3cccc(NC(=O)CC)c3)n2)C1 896885536 ZQLTXKFNSTXEIE-UHFFFAOYSA-N 283.331 3.519 30 20 CHED C=CC1(OC(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)CC1 893359362 XARUYPREUFSTEH-UHFFFAOYSA-N 298.338 3.748 30 20 CHED CCC[C@@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl 1136288832 JDWWDYDJTFVUGS-MRVPVSSYSA-N 285.174 3.783 30 20 CHED O=C(NO)c1ccc(Oc2cccc(Cl)c2Cl)cc1 782172248 NUEAPZQXMILUMB-UHFFFAOYSA-N 298.125 3.905 30 20 CHED C=C1CC(c2noc([C@@H](C)c3ccccc3F)n2)C1 896881523 JFEKTQJTPWFBGJ-JTQLQIEISA-N 258.296 3.794 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=CC1CCCCC1 790311015 UFUIKJDUBJGBEJ-UHFFFAOYSA-N 265.288 3.712 30 20 CHED C=C1CCC(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC1 891188286 CKBFLUUFIZVWOZ-MRXNPFEDSA-N 285.387 3.875 30 20 CHED c1ccc(NN=C2CCC[C@@H]2c2ccccn2)cc1 794855855 BREDXGYVXYMTFY-CQSZACIVSA-N 251.333 3.817 30 20 CHED C=C(Br)CN1CCc2cc(Cl)ccc2C1 792307671 PLPRUAGXKQNERK-UHFFFAOYSA-N 286.600 3.607 30 20 CHED C=CCC(C)(C)C(=O)OCc1csc([C@H](C)OCC)n1 796473136 DZELNJALAXFRPP-NSHDSACASA-N 297.420 3.886 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@H]3c3ccc(OC)cc3)n2)C1 896874382 LWBPUSTUQCZZGH-LSDHHAIUSA-N 282.343 3.783 30 20 CHED Cc1cc(F)ncc1/C=C\C(=O)c1coc(C(C)C)n1 899370147 ACTNJTFHDAJYIW-PLNGDYQASA-N 274.295 3.537 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1ccc(Br)cn1 793115074 PIEZPKWJAIZZMN-SNVBAGLBSA-N 298.228 3.592 30 20 CHED CCOc1cccc(/C=N/C[C@@H]2CCC(F)(F)C2)c1O 797398941 SDHSNVKVWLPBMH-VDCVXVNISA-N 283.318 3.645 30 20 CHED CC[C@@H](/N=C/c1ccccc1O)c1ccc(OC)c(OC)c1 794678208 ZMBTTZKPKNYFRT-IYSPOMMRSA-N 299.370 3.980 30 20 CHED COc1cccc(C=NNc2c(C)cccc2F)c1F 799885167 BMCSNUFEAJXJPS-UHFFFAOYSA-N 276.286 3.728 30 20 CHED COc1ccc2c(c1)C(=NNc1ncccc1C)CCS2 790186686 OPYJJPICXNSVMM-UHFFFAOYSA-N 299.399 3.711 30 20 CHED CC1(C)CCC[C@H](CNCc2cccc(C#N)c2)C1 1177217181 BPJBKNOZGIHWNH-INIZCTEOSA-N 256.393 3.864 30 20 CHED Fc1ccc(/C=C\C=NNCc2ccccc2)cc1F 794878666 RSDSFKFQFJMSAR-WJFQHQKPSA-N 272.298 3.754 30 20 CHED CCc1cccc(C)c1NN=C1C(=O)Nc2c(C)cccc21 799493722 MTEQLILMTQRXIK-UHFFFAOYSA-N 293.370 3.634 30 20 CHED C[C@@H](NN=Cc1c(C2CC2)nc2sccn12)C(C)(C)C 793112184 RBFHHDBWTAUGRZ-SNVBAGLBSA-N 290.436 3.631 30 20 CHED CCOC1(C(=O)O[C@H](C)c2cccc(C#N)c2)CCCC1 792823947 OFZOFXSICPGKLI-CYBMUJFWSA-N 287.359 3.512 30 20 CHED C#Cc1cccc(NCc2ccnc(Cl)c2Cl)c1 798185688 JAEVHNGQPVZHTQ-UHFFFAOYSA-N 277.154 3.982 30 20 CHED COc1cccc(/C=C2\Cc3ccc(C)cc3C2=O)c1F 799893498 RIMWBTMQJYACLF-GXDHUFHOSA-N 282.314 3.965 30 20 CHED C#C[C@H](CCC)NC(=O)NCc1ccc(-c2ccccc2)o1 791017631 ILLVHOLDBQATQC-OAHLLOKOSA-N 296.370 3.548 30 20 CHED N#CCc1ccc(C(=O)Nc2nccc3ccccc23)cc1 1140696144 POHOJEMNMJIQND-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@@H]1N=c1cc[nH]c(C#N)c1 1307089154 IUMIGMGFRMMEPW-IEBWSBKVSA-N 291.398 3.747 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncc(C#N)cc1F 1307215456 BHDFWAZNPVJOJZ-DYVFJYSZSA-N 295.361 3.865 30 20 CHED Cc1ccnc(N(C)Cc2ccccc2Cl)c1C#N 135065843 YUMBFTKVWGALLL-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cccc2ccoc12 1236733132 RGVRGPKLBBCUPT-UHFFFAOYSA-N 276.339 3.936 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 58243083 RFHXYRQWUVCUEH-UHFFFAOYSA-N 270.719 3.658 30 20 CHED COc1ccc(C)cc1[C@@H](C)Nc1cccc(CC#N)n1 1325563264 FGRGJASECSTIPX-CYBMUJFWSA-N 281.359 3.638 30 20 CHED C[C@H](NC[C@H](C)CC(F)(F)F)c1ccc(C#N)cc1 396932442 VFGGVYRRRHEWFB-MNOVXSKESA-N 270.298 3.797 30 20 CHED CC(=NNCc1ccc(F)cc1)c1ccc(F)cc1C 1322617219 FEUGUSAUKVDITC-UHFFFAOYSA-N 274.314 3.787 30 20 CHED C[C@@H](NCCc1ccc(N(C)C)cc1)c1ccc(C#N)cc1 1320070384 IHDVWLBUFYOGRJ-OAHLLOKOSA-N 293.414 3.518 30 20 CHED CCc1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1 187528624 YFBDAOUZQHCVFD-UHFFFAOYSA-N 272.392 3.793 30 20 CHED CCCCCCCCN(C)Cc1nnc2ccccn12 746458012 BFYHJTMWPUHIOH-UHFFFAOYSA-N 274.412 3.522 30 20 CHED CC(C)(C#N)CCCSCc1nnc2n1CCCCC2 1321116496 ZBJCLYWSRSUCEO-UHFFFAOYSA-N 292.452 3.568 30 20 CHED CCCc1nc(C)c(-c2nnc(-c3ccc(C#N)cc3)o2)o1 1327865420 OVXGKLGPVPWCGP-UHFFFAOYSA-N 294.314 3.524 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)OC1CCCCC1 1326167074 OHCFOZFBKKAXIE-AWEZNQCLSA-N 294.439 3.655 30 20 CHED COc1cc(/C=C2\Oc3ccc(F)cc3C2=O)ccc1F 1322985720 PFADQAZFACOZGA-CHHVJCJISA-N 288.249 3.590 30 20 CHED CC1=C(C)C[C@@H](C(=O)OCc2ccc(C#N)s2)CC1 1327195554 RGGCCDBBBUZCET-LBPRGKRZSA-N 275.373 3.799 30 20 CHED Fc1ccc(CNN=Cc2ccc(OC(F)F)cc2)cc1 1322629352 KZKZJMFDGVGKQB-UHFFFAOYSA-N 294.276 3.551 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)c(C)c1)C[C@H](C)O2 1180633508 PHJRXPYDIAAADZ-HNNXBMFYSA-N 292.382 3.963 30 20 CHED N#C[C@H]1CCCN(CCc2cc(Cl)cc(Cl)c2)C1 722115505 RTPCJUCCQMXONP-GFCCVEGCSA-N 283.202 3.771 30 20 CHED CCCCCCCCN1CCC[C@@H](c2n[nH]c(C)n2)C1 760962435 MZHZWZOHXDXNRX-OAHLLOKOSA-N 278.444 3.653 30 20 CHED CCN(Cc1ccccc1F)c1ncc(C#N)cc1Cl 1339110208 INKMQMDCLSPNFD-UHFFFAOYSA-N 289.741 3.772 30 20 CHED COc1cc(/C=C/C(=O)c2sccc2OC)ccc1F 1338163141 DWYLWVQDVIMTCX-GQCTYLIASA-N 292.331 3.801 30 20 CHED N#Cc1cccc(CNCc2ccc(C3CC3)cc2)c1 94519105 SPZDHEPHGVDHNE-UHFFFAOYSA-N 262.356 3.725 30 20 CHED C=C[C@H](COC)NC1CCC(C)(c2ccccc2)CC1 1338112756 PZDFWRDSWYWNDJ-WWDZGPRUSA-N 273.420 3.678 30 20 CHED COc1ccc(NCc2csc(C(C)C)n2)cc1C#N 1331945289 GAUDOSLIHDDVOB-UHFFFAOYSA-N 287.388 3.759 30 20 CHED C#C[C@H](NC(=N)Nc1ccc(C)cc1)c1ccc(Cl)cc1 1349923650 UEEUIROOBYPSKQ-INIZCTEOSA-N 297.789 3.959 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c2c1CCC2 1352467905 IWEHILXPGIWKPC-UHFFFAOYSA-N 294.329 3.747 30 20 CHED CSc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)co1 1518213954 UYEILJVGCAVDAC-SNVBAGLBSA-N 287.340 3.791 30 20 CHED CC/C(C)=C\C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1517123639 MDQKALJLWFPQPT-UJICNMFASA-N 287.750 3.749 30 20 CHED C=C(CC)C(=O)Nc1ccccc1S[C@@H](C)CC#N 1520976229 RMIKZVUZWHSFQJ-LBPRGKRZSA-N 274.389 3.986 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 1529884352 GLDWCRKWZUIOIH-BLLLJJGKSA-N 288.366 3.786 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1ccc(C(=O)O)o1)C2=O 1600552052 AJMKADRLWDPRGY-AAIQCTMTSA-N 282.295 3.670 30 20 CHED Cc1ccc(CNc2cccc(C#N)c2C)cc1F 1461538730 KWDYYASYZSRXJX-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CCc1ccc2c(c1)CCN2Cc1ccc(C#N)cc1OC 1460927776 FRTFLRBYYUPVNI-UHFFFAOYSA-N 292.382 3.692 30 20 CHED C=CCOc1cccc(/C=C\c2ccc(C(=O)O)cn2)c1 1609460315 PAXUSTIACWECNP-VURMDHGXSA-N 281.311 3.515 30 20 CHED C=CCC[C@H](CCC)NCCc1ccccc1C(=O)O 1602857254 ORIWMBUKHMPLLZ-HNNXBMFYSA-N 275.392 3.652 30 20 CHED C[C@@H](CCC#N)CN[C@@H](CCC(=O)O)CC1CCCCC1 1604130676 RCWRVGFOSCYRAU-HOCLYGCPSA-N 294.439 3.720 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)oc1C 1460924587 ZYMJURDEPZQEPP-KBPBESRZSA-N 288.391 3.796 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2/C=C\c2ccccc2)c(F)c1 1472892787 HLWUKCOWYDGYDV-HLRDLLSLSA-N 293.345 3.775 30 20 CHED COC(=O)[C@@H]1CCCC[C@@H]1CSc1ccccc1C#N 1559374192 ZKLWZSISGUJCMH-ZIAGYGMSSA-N 289.400 3.630 30 20 CHED CC(C)Nc1ccccc1NC(=O)Cc1cccc(C#N)c1 1640665780 ASQPKOOHOLLUJT-UHFFFAOYSA-N 293.370 3.560 30 20 CHED CC(C)[C@@]1(C)C[C@H]1Nc1ncc(C#N)cc1Br 1642770984 KQMLMYYMIPCBEV-DGCLKSJQSA-N 294.196 3.562 30 20 CHED CCCCCCCCCNC1(Cc2cnn[nH]2)CCC1 1576393665 CHAPODJFZBDAOP-UHFFFAOYSA-N 278.444 3.610 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2C[C@H]2CC(C)C)c1C#N 1655553899 ZARVSGZHIQTYAI-ZWNOBZJWSA-N 263.772 3.762 30 20 CHED COc1ccc(C#N)cc1NC1CCc2ccccc2CC1 1657716606 CBNKEAACSRDWIU-UHFFFAOYSA-N 292.382 3.926 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCc2c(C#N)cccc21 1653954931 ZINVGRQURURPCQ-UHFFFAOYSA-N 293.757 3.646 30 20 CHED CN(CC1(CC#N)CC1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1658882691 WISLXGLSYNWSEG-IRXDYDNUSA-N 298.430 3.858 30 20 CHED CC[C@H]1CCC[C@H](NCCc2ccc(C#N)cc2)C1 1656621948 AWMORAMYXFAKRK-YOEHRIQHSA-N 256.393 3.659 30 20 CHED CCc1cccc(CNCc2ccc(C#N)c(F)c2)c1 1665004356 GIUVMLUKEDJHDL-UHFFFAOYSA-N 268.335 3.550 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCc3ccccc32)c1 1596854875 AZKPANNXDOKHTI-QGZVFWFLSA-N 294.329 3.756 30 20 CHED CCC(CC)CN(CCC#N)C[C@H]1CCCC[C@@H]1C(=O)O 1595111615 QNLRSKWINARSPP-CVEARBPZSA-N 294.439 3.529 30 20 CHED CC(C)(C)CC(=NNc1ccc(C(=O)O)cc1)C1CC1 1776012678 KAPZOBYFGYDQLV-UHFFFAOYSA-N 274.364 3.999 30 20 CHED C=CC1CCN([C@@H](C(=O)O)c2cccc3ccccc23)CC1 1776150152 JKYHAXPCCAMPHQ-GOSISDBHSA-N 295.382 3.864 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc(C2CC2)c(C2CC2)c1 1776148315 IQERLPYXJRCBFE-MRXNPFEDSA-N 299.414 3.950 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1c(C)noc1C 1776782968 APBMZQLTXRJIKQ-CQSZACIVSA-N 296.411 3.585 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)[C@@H](C)CC(C)C 1776051643 UMEWHOSCXLQKQG-NSHDSACASA-N 292.379 3.863 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1ccc(C(=O)O)c(F)c1)C2 1777455636 HSUFXGWQULXXHC-NTUHNPAUSA-N 296.297 3.655 30 20 CHED C=CCc1ccccc1C=NNc1ccc(F)c(C(=O)O)c1 1776064698 ZWOCRCPPNZFESC-UHFFFAOYSA-N 298.317 3.698 30 20 CHED CSc1cccc(NCc2ccc(C#N)cc2)c1 19900605 HWUAVJYEJSYDOM-UHFFFAOYSA-N 254.358 3.892 30 20 CHED N#Cc1ccc(OC(=O)c2c(F)cccc2Cl)c(F)c1 158139265 XCBAHILMFROPGD-UHFFFAOYSA-N 293.656 3.709 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(C)[C@@H](C)CC#N)cc1 158887005 MJDOPSIRFVVJTK-KGLIPLIRSA-N 272.392 3.503 30 20 CHED C#CC[C@H](OC(=O)c1cccc(C)c1Cl)c1ccccn1 160203136 PIXQHJJAIBOKKC-HNNXBMFYSA-N 299.757 3.965 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CCC#N)c1ccccc1 160625694 ZIWMVWMQVIIHPP-INIZCTEOSA-N 285.391 3.639 30 20 CHED COc1ccc([C@H](C)NCc2ccc(C#N)cc2C)cc1 165339431 XIZFVAJTOHQHLV-AWEZNQCLSA-N 280.371 3.726 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(CC(F)(F)F)cc1 156105743 YZXGKPZZMKBPEO-LLVKDONJSA-N 299.296 3.605 30 20 CHED Cc1cccc2c1CCN(c1nc(Cl)c(C#N)s1)C2 804432105 QWUIWIMWJLTRMI-UHFFFAOYSA-N 289.791 3.539 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 221386081 FWWFHPKYMIAVPV-IAGOWNOFSA-N 256.393 3.863 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(Br)cs1 226397163 NVZAZFLRHVQOGA-HTQZYQBOSA-N 260.200 3.736 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1cccc(F)c1 166518633 NXWFEQIRCLROFE-KRWDZBQOSA-N 268.335 3.938 30 20 CHED C[C@@H](NC[C@H]1CC=CCC1)c1ccc(OCC#N)cc1 45629099 JLSNBGSNAGRZQH-CABCVRRESA-N 270.376 3.596 30 20 CHED C[C@]1(F)CCN(c2ccc(C(F)(F)F)cc2C#N)C1 346646707 CCOGNPNJTIBDPG-LBPRGKRZSA-N 272.245 3.515 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)cc2cccnc12 567018766 KQKYXRROPPOEJY-HNNXBMFYSA-N 287.750 3.767 30 20 CHED C=CCNC(C)(C)c1ccc(Br)c(C)c1 309188533 PFRCICVNQFVIAK-UHFFFAOYSA-N 268.198 3.768 30 20 CHED C[C@@H](CCCC(F)(F)F)NCc1ccc(C#N)c(F)c1 404625384 BRPDMPUIYHZYMH-JTQLQIEISA-N 288.288 3.908 30 20 CHED C[C@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N 78835891 NKJXPJWDIRDSNZ-WCBMZHEXSA-N 269.270 3.573 30 20 CHED N#Cc1ccc(N2CCC(c3ccccc3)CC2)cc1 79031374 IWJIXFMRBDFLSB-UHFFFAOYSA-N 262.356 3.942 30 20 CHED C=CCCCCN1CCC[C@H]([C@H]2CCCCO2)C1 661874235 IZPFUQHWMSQEJW-JKSUJKDBSA-N 251.414 3.624 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@H](C(C)(C)C)CC2)n1 79343716 YPPDSXBVAYKBRE-HNNXBMFYSA-N 271.408 3.914 30 20 CHED Cc1ncsc1COc1cc(Cl)ccc1C#N 351674644 MGANVXRGAHUBGR-UHFFFAOYSA-N 264.737 3.556 30 20 CHED N#CCCC1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 335501504 RNTRVYYPSPRVKX-UHFFFAOYSA-N 294.757 3.635 30 20 CHED Cc1ncc(COc2cc(C)c(C#N)c(C)c2C)s1 336809660 FZHRRBSBUGULCA-UHFFFAOYSA-N 272.373 3.827 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H](OC2CCC2)C1 594025914 BDPUAUSOWNCRPP-MRXNPFEDSA-N 278.440 3.740 30 20 CHED COc1cc(CN2CCCC[C@@H]2C(C)C)ccc1C#N 395762857 BCRYMFZQEZHBMY-MRXNPFEDSA-N 272.392 3.577 30 20 CHED FC(F)(F)C1CCC(=NNCc2ccccc2)CC1 766015358 KUYFPWHQPYNSCZ-UHFFFAOYSA-N 270.298 3.885 30 20 CHED Cc1c(NCCC#N)cccc1NC(=O)OC(C)(C)C 863574479 JMEGRXLAWOSWOC-UHFFFAOYSA-N 275.352 3.668 30 20 CHED CCCCOc1ccc(C(=O)Nc2ccccc2C#N)cc1 5861972 KLIWPBJDYJELKS-UHFFFAOYSA-N 294.354 3.989 30 20 CHED N#Cc1ccccc1COc1ccccc1Br 11834176 SQMPAGXZBRONMU-UHFFFAOYSA-N 288.144 3.900 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@@H]3CCCC[C@@H]3C2)c1 25432108 XPJUEDMOBIDFJA-LSDHHAIUSA-N 272.367 3.709 30 20 CHED Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)o1 25438480 YCTSHXJWIDTHCZ-UHFFFAOYSA-N 282.343 3.950 30 20 CHED COc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1F 37256509 GAHDUGHBXNXWHE-NSHDSACASA-N 270.307 3.879 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2ccccc2OC)cc1 43900447 USJDCNAJZQEOHE-UHFFFAOYSA-N 298.342 3.795 30 20 CHED N#Cc1cc2c(nc1NCc1ccc(Cl)cc1)CCC2 44346661 FKCDJTDMKYKYMJ-UHFFFAOYSA-N 283.762 3.707 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1nc2ccc(C)cc2s1 49341053 CSTNKKKKBCNCGK-NSHDSACASA-N 290.388 3.524 30 20 CHED Cc1ccc(NC(=O)Nc2ccc(F)c(C#N)c2)cc1 51637792 IFTLHRLATOYKBJ-UHFFFAOYSA-N 269.279 3.650 30 20 CHED Cc1cc(C)c(CCNC(=O)C2(C#N)CCCCC2)c(C)c1 57396137 MBHMSNALUXAUQN-UHFFFAOYSA-N 298.430 3.745 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](C)c1ccc(F)cc1 57449797 OIPPIRLVEQCHBS-CYBMUJFWSA-N 263.356 3.744 30 20 CHED CCCCCCCOc1cccc(CNCCC(=O)O)c1 59615768 XRLFMLBUJSHRRO-UHFFFAOYSA-N 293.407 3.600 30 20 CHED Cc1ccn2cc(CNc3ccc(C#N)c(Cl)c3)nc2c1 68429820 JJBJEQNTVDFJRN-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C[C@H]1C[C@H](C)CN(c2nc3ccccc3cc2C#N)C1 70217999 YSZGYMPNHYNZDS-STQMWFEESA-N 265.360 3.589 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 72500870 XFOUKDSGPSTSCC-GXFFZTMASA-N 291.782 3.864 30 20 CHED CC(C)c1ccccc1-n1ccnc1S[C@H](C)C#N 73416036 RSATYEGOODTKJE-GFCCVEGCSA-N 271.389 4.000 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)CCCSCC#N 74991531 BQTYXZDLGRUXNM-INIZCTEOSA-N 276.449 3.586 30 20 CHED C=CCc1ccc(OCc2csc(C)n2)c(OC)c1 76422979 QOKMURGKUIIPSN-UHFFFAOYSA-N 275.373 3.768 30 20 CHED C=CCc1ccc(OC(=O)OC(C)(C)C)c(OC)c1 78574100 ZORUJHTVGVLTQH-UHFFFAOYSA-N 264.321 3.738 30 20 CHED Cc1ccc(C#N)cc1NCc1noc(-c2cccs2)n1 86204551 ZVYPMVKFUSKNLC-UHFFFAOYSA-N 296.355 3.590 30 20 CHED CCc1noc(CC)c1CNc1c(F)cc(C#N)cc1F 88741974 XXIXYUHJXJJUAJ-UHFFFAOYSA-N 291.301 3.561 30 20 CHED C=CCCOCCN[C@@H](CC)c1cc(C)ccc1OC 90883657 ZHZPOLNWMQAAGE-INIZCTEOSA-N 277.408 3.637 30 20 CHED CC(C)(CCC#N)CNc1cnn(-c2ccccc2)c1 92568451 SYCAXVXCDROXQB-UHFFFAOYSA-N 268.364 3.614 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cn1 96939536 PYGQZIHXEMCVTA-GHXNOFRVSA-N 288.350 3.983 30 20 CHED CCCCCCCCN1Cc2ccccc2C[C@H]1C(=O)O 108972378 CQVLPAABAMDGTB-KRWDZBQOSA-N 289.419 3.858 30 20 CHED Cc1cccc(CCNc2c(F)cc(C#N)cc2F)c1 111249287 CHBKYPVNHFLMPA-UHFFFAOYSA-N 272.298 3.800 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)Cc1cccc(C#N)c1 111744046 DABVYCLZDJHWPQ-DLBZAZTESA-N 256.393 3.959 30 20 CHED CCCc1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1 111892377 IAILMKIILFHHOF-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C=CC[C@H](C)NC(=O)Cc1c(Cl)cccc1Cl 116850961 ADFHSLAZKRBLRQ-VIFPVBQESA-N 272.175 3.617 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc2cn[nH]c2c1 119176738 PCZPLEBMTYBKHV-UHFFFAOYSA-N 284.407 3.715 30 20 CHED CC(C)Oc1cccc(CN(C)CCCSCC#N)c1 120592185 PEHDAPARVIIVKX-UHFFFAOYSA-N 292.448 3.552 30 20 CHED N#CCCCCNc1ccc(C(F)(F)F)cc1C#N 122962609 KIJKKUJGTWZPRB-UHFFFAOYSA-N 267.254 3.683 30 20 CHED CC(C)(C)OC(=O)CSc1ccc(C#N)cc1Cl 123515642 JOOTZIVJPVHSMA-UHFFFAOYSA-N 283.780 3.645 30 20 CHED CCc1nnc(NCC2CCC(C)CC2)c(C#N)c1CC 124968775 PTXVGRUSCRNSOK-UHFFFAOYSA-N 286.423 3.711 30 20 CHED CC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(C)cc1 126661835 BHXAKZPHGWOMAW-MOPGFXCFSA-N 294.398 3.641 30 20 CHED CCCCCCCCCC(=O)NCC(F)(F)F 128124845 IRJCOKBDKYHNAS-UHFFFAOYSA-N 253.308 3.806 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(C)cc1SC 129330126 ZCWACDJPYNIKGP-UHFFFAOYSA-N 292.448 3.825 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N(C)[C@H](C)CC#N 129539054 DVGUSOPIZDAOBZ-LMMOQWNQSA-N 276.767 3.504 30 20 CHED Cc1nc(CCN[C@@H](C)c2ccc(C#N)cc2)sc1C 130505589 QMBGBRDVXBTRRW-LBPRGKRZSA-N 285.416 3.525 30 20 CHED CC[C@@H](CC#N)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 133202682 QEYVDUNSHYKBPB-KBPBESRZSA-N 281.403 3.616 30 20 CHED C=CCOc1ccccc1CNCc1ccc(CC)o1 133530107 OLTMLVRTEYNUTF-UHFFFAOYSA-N 271.360 3.697 30 20 CHED Cc1ccnc(N[C@@H](C)CCc2ccccc2)c1C#N 135072100 IZWKQTPAXNMKLW-AWEZNQCLSA-N 265.360 3.695 30 20 CHED CN(C(=O)c1cc(Cl)ccc1F)c1ccccc1C#N 148769974 XNSFVDKLUZXEOQ-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)Sc1ccccn1 152411856 QWTCGVLMZCBQTQ-AWEZNQCLSA-N 292.448 3.767 30 20 CHED C=CCN(C(=O)c1ccc(F)c(OC)c1)c1ccccc1 154014142 XCQIJKPGDVNYKS-UHFFFAOYSA-N 285.318 3.667 30 20 CHED C[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)c1 154080547 LVAVCNZINUOLKY-SECBINFHSA-N 254.255 3.566 30 20 CHED C=CCn1c(SCCC#CC)nnc1-c1ccccc1C 155314903 SBXFXWAENVDIDH-UHFFFAOYSA-N 297.427 3.945 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(C)c(C)o2)cc1 155543060 SPUZTHWCBGSKLH-UHFFFAOYSA-N 282.343 3.765 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(O)cc2C)cc1 156449940 GCRAFAZDFVABIG-UHFFFAOYSA-N 283.327 3.518 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cc(C)cc(C)c2)o1 171670809 DJFVZHKDCRNBTM-GQCTYLIASA-N 284.311 3.579 30 20 CHED Cc1cscc1C(=O)Nc1ccc(Cl)c(C#N)c1 175436397 BOAODTKGDKLDEM-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C/C=C(\C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 176284400 OYXNXGNIADNIIB-TXGYYHNKSA-N 283.158 3.640 30 20 CHED COCc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1 178755767 LAAHCSAJJOSJFY-IBGZPJMESA-N 294.398 3.968 30 20 CHED CC[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1F 180848425 KCLLBCIDXXISJO-SFHVURJKSA-N 298.361 3.969 30 20 CHED Clc1cccc(C#CCN(Cc2ccccn2)C2CC2)c1 180867999 IEXZVYMBNJSEPH-UHFFFAOYSA-N 296.801 3.751 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)ccn1 184054187 SSBNZWHFHKVCSR-UHFFFAOYSA-N 281.359 3.610 30 20 CHED CC[C@H](CC#N)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 184089784 OJEDBDQHQLXDKM-CYBMUJFWSA-N 299.330 3.637 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 184126295 NXEHINIIHOUYID-CYBMUJFWSA-N 296.370 3.568 30 20 CHED CC[C@H](C)Sc1ccc(NC(=O)CC#N)c(C)c1 184433236 SUTWVNLHNSYAEG-NSHDSACASA-N 262.378 3.738 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc2c(C)c(F)ccc2s1 186024423 RHFLJXQLKKNCQC-UHFFFAOYSA-N 290.363 3.732 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H]1C=CCCC1 186597845 YUKCHFSAGJODOF-MRXNPFEDSA-N 269.388 3.948 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H](CC)C1)c1ccccc1 188507652 JCUFYNGFOLQHPS-HOCLYGCPSA-N 257.377 3.605 30 20 CHED Cc1c(Cl)cccc1NC(=O)c1cccc(F)c1C#N 189406990 HYVHNIWZSQOBSW-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 190570026 NBOQOMCBWPRMIN-UHFFFAOYSA-N 288.347 3.532 30 20 CHED CCOc1ccccc1[C@@H](CC)NCc1cc(C#N)n(C)c1 190921228 VJFLPPKKXRICJV-QGZVFWFLSA-N 297.402 3.536 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2cc(Cl)ccc2C1 191498734 QSIMTBWPIMXNRL-MRXNPFEDSA-N 277.795 3.827 30 20 CHED N#C[C@H]1CCC[C@H](NCCOc2ccc3ccccc3c2)C1 192639177 QABQHGBDCASZHS-YJBOKZPZSA-N 294.398 3.891 30 20 CHED CCCNc1ccc(C/N=C(\N)Nc2ccccc2C)cc1 193062554 FVDLPRNHPIIUJZ-UHFFFAOYSA-N 296.418 3.744 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(-c2cccs2)c1 195387327 UENGZGGAVXRFLS-UHFFFAOYSA-N 270.357 3.903 30 20 CHED CC1(CNc2ccc(Br)cc2C#N)CC1 228557248 RRXVTRATURJJRT-UHFFFAOYSA-N 265.154 3.533 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H](Cc2ccccc2)C2CC2)C1 248939333 YQQLQFKIQKWAMD-NXHRZFHOSA-N 268.404 3.680 30 20 CHED CCn1nccc1/C=C\C(=O)c1oc2ccccc2c1C 255170886 DSQGKCYUSCRWJB-HJWRWDBZSA-N 280.327 3.854 30 20 CHED O=C(/C=C\c1ccn(-c2ccccc2)n1)c1cccs1 255298665 IRPUKCCCMAHEKK-HJWRWDBZSA-N 280.352 3.830 30 20 CHED CC(C)(C)[C@H]1CCCN1Cc1ccc(OCC#N)cc1 264535453 GAYQOZBQNRFPFR-MRXNPFEDSA-N 272.392 3.599 30 20 CHED CCN(CC)CCC[C@@H](C)Nc1ncc(C#N)cc1Cl 265305049 PYKJDQPGDAFTNY-GFCCVEGCSA-N 294.830 3.529 30 20 CHED C=CCCN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 268374479 LHMCUSXTPJNCRX-HUUCEWRRSA-N 263.381 3.524 30 20 CHED CC(C)(C)C1=CCN(C(=O)c2cccc(CC#N)c2)CC1 270513567 YXLIQZDJDHKLNA-UHFFFAOYSA-N 282.387 3.571 30 20 CHED CC[C@@H](C)Oc1ccc(-c2noc(C(C)(C)C#N)n2)cc1 273795975 HEHDKHWPPVMLAD-LLVKDONJSA-N 285.347 3.715 30 20 CHED C=C(C)[C@H](Cc1nc([C@H]2CCCC[C@H]2C)no1)OCC 273876964 NYXPTSWFCFICIX-RDBSUJKOSA-N 278.396 3.887 30 20 CHED C[C@@H](CCC#N)N1CCC(CN(C)Cc2ccccc2)CC1 276319289 OKEYPWGJCATRIB-KRWDZBQOSA-N 299.462 3.523 30 20 CHED C=CCCN(C)C(=O)Nc1cc(Cl)ccc1C 276370253 XERZQYJNARAJCC-UHFFFAOYSA-N 252.745 3.688 30 20 CHED CC(C)(C#N)CCCCN[C@@H]1CCO[C@H]1c1ccccc1 278934416 XOTJZSJIZUJVEV-SJORKVTESA-N 286.419 3.826 30 20 CHED CCc1ccc(C(C)(C)NC(=O)CC(C)(C)C#N)cc1 278964931 IJKMFEWSRYCAEM-UHFFFAOYSA-N 272.392 3.540 30 20 CHED CO[C@@]1(C)CCCN(c2c(Cl)cccc2C#N)CC1 280199311 JGOFZFSXMHITMY-HNNXBMFYSA-N 278.783 3.607 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 289109112 DWICCBFIMKPUSA-CYBMUJFWSA-N 284.281 3.892 30 20 CHED CC[C@](C)(C#N)c1nc(-c2cccc(CSC)c2)no1 289202800 RTKNXQBPOHFTIS-OAHLLOKOSA-N 287.388 3.791 30 20 CHED N#CCCCC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 291633450 GNMMHKZIPQGFMX-UHFFFAOYSA-N 291.782 3.573 30 20 CHED CC(C)(CNC(=O)CCCC#N)c1ccc(F)cc1Cl 291760640 UQTCUUKDPOWHDJ-UHFFFAOYSA-N 296.773 3.567 30 20 CHED CC(F)(F)c1ccc(CNCc2ccc(C#N)o2)cc1 292984795 NKXWOOJVQMUDRP-UHFFFAOYSA-N 276.286 3.553 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(c3ccc(F)c(F)c3)CC2)C1 293061269 LDTNTPZCVMPWEE-IUODEOHRSA-N 290.357 3.836 30 20 CHED C=CCC(C)(C)C(=O)NCc1csc(-c2ccco2)n1 293302991 IWELPLZBMKOMSJ-UHFFFAOYSA-N 290.388 3.622 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(OCC#N)c1 294534010 PWYBOIBRVVGTKE-CZUORRHYSA-N 286.375 3.744 30 20 CHED C=CCCC(=O)O[C@@H](c1ccc(OC)cc1)C(F)(F)F 296189628 MYCUMGBPKSMBKM-ZDUSSCGKSA-N 288.265 3.808 30 20 CHED C#CCN(C(=O)Nc1ccccc1SC(C)C)C1CC1 296477282 BRJLIKLOFROINP-UHFFFAOYSA-N 288.416 3.817 30 20 CHED C=CCCc1noc(-c2oc(Br)cc2C)n1 297362130 PWGUOGLVNYDXKV-UHFFFAOYSA-N 283.125 3.519 30 20 CHED C=C(Cl)CSc1nnc(-c2sc(C)nc2C)o1 298159319 DTHXTXDRCIQZKV-UHFFFAOYSA-N 287.797 3.655 30 20 CHED Cc1cc(CC(C)(C)NCCC#N)ccc1Br 298509003 VBVUGVLLKAZYIA-UHFFFAOYSA-N 295.224 3.582 30 20 CHED Cc1ccc2c(c1)N(c1ccc(Cl)c(C#N)n1)CC2 301553717 WCGLEVLEEGCCJW-UHFFFAOYSA-N 269.735 3.609 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1c1ccc(Cl)c(C#N)n1 301596798 WPLZPUFYPGKSGT-GXTWGEPZSA-N 297.789 3.989 30 20 CHED CCc1nnc(Nc2ccc3[nH]ccc3c2)c(C#N)c1CC 301620925 MWXONYMHFWEYFX-UHFFFAOYSA-N 291.358 3.698 30 20 CHED C[C@@H](C#N)CNc1nc(-c2ccc(F)cc2)cs1 302069025 XFUDWOAJJXHMBW-VIFPVBQESA-N 261.325 3.521 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/CCCCCOC)cc1 303990925 ZBFKJVVMYJWCHM-AWEZNQCLSA-N 291.439 3.743 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc2cc(OC)ccc2c1 320402895 PDPWVRRWDRNPGM-KDOFPFPSSA-N 299.414 3.826 30 20 CHED CC1=C(/C(O)=N/[C@H]2CCCc3nc(O)ccc32)CCC1 328624911 ZVYDQZWRXXXSRP-AWEZNQCLSA-N 272.348 3.622 30 20 CHED C[C@H]1CC(=O)CC[C@H]1C(O)=Nc1nc2ccsc2s1 329001860 WBQQCYOVGJIENG-IONNQARKSA-N 294.401 3.951 30 20 CHED Cc1nc2ccc(N=C(O)C[C@H]3CCC[C@@H](C)C3)cn2n1 329009580 OENWHRRHLFZZIJ-YPMHNXCESA-N 286.379 3.842 30 20 CHED C[C@](/N=C(/O)C[C@@H]1CCCC(O)=N1)(C1CC1)C(F)(F)F 329342064 SLVMJDMKNXHAPW-CABZTGNLSA-N 292.301 3.573 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)c2snnc2C2CC2)[C@H](C)C1 329630654 QXRSSHKPNKWEND-KKZNHRDASA-N 279.409 3.545 30 20 CHED C[C@@H]1CCC[C@@H](CC/N=C(/O)CCc2cnccn2)C1 330019291 UVTISHICURAOKV-KGLIPLIRSA-N 275.396 3.582 30 20 CHED Cc1oc2ccc(N=C(O)N[C@H]3CCC[C@@H]3C#N)cc2c1C 330051300 NGKGOVSPJYLIIT-DOMZBBRYSA-N 297.358 3.877 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H]1CCCCC12CCCC2 331676400 QLOLCIMXZRQDEY-CQSZACIVSA-N 291.439 3.728 30 20 CHED N#Cc1ccc(CN[C@H]2CCCNc3ccccc32)cc1F 334738498 MQYJLNMZADCZPB-SFHVURJKSA-N 295.361 3.734 30 20 CHED N#CCCC1CCN(C(=O)c2c(F)cccc2Cl)CC1 335384464 GMASYRKAVZLRGV-UHFFFAOYSA-N 294.757 3.635 30 20 CHED COc1ccc(F)cc1CNc1ccc(CC#N)cc1 336833067 NITCRNMVBRGXFF-UHFFFAOYSA-N 270.307 3.512 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(CSC)cc1 337089658 IQZBHQLQMQKNHC-CQSZACIVSA-N 263.406 3.634 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccc(C#N)c1C 337760256 OLYAIVCWIZZORV-UHFFFAOYSA-N 296.395 3.757 30 20 CHED COc1ccccc1[C@H](C)[S@](=O)Cc1ccccc1C#N 339149376 HYBBZIKRBHRIJS-YEJXKQKISA-N 299.395 3.577 30 20 CHED C[C@H](C[S@@](=O)Cc1ccccc1C#N)c1ccccc1 339152314 GSTXJHVINGFGLG-JLTOFOAXSA-N 283.396 3.611 30 20 CHED CC(C)C1(NCc2cccc(OCCCC#N)c2)CC1 339506635 NUYYCHJNVWKGSE-UHFFFAOYSA-N 272.392 3.647 30 20 CHED Cc1c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)ccn1C(C)C 340427953 GTPYIGBNCHUJIL-SUMWQHHRSA-N 287.407 3.580 30 20 CHED N#Cc1ccnc(NCCc2csc3ccccc23)c1 341719563 CIOVGKRRHNCTKW-UHFFFAOYSA-N 279.368 3.823 30 20 CHED C=CCCOCCCCc1nc(-c2ccsc2)no1 342660145 HPINJVQEXPRUKN-UHFFFAOYSA-N 278.377 3.714 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1CCC[C@H](SC)C1 342886723 XXIFQOFFBFQHIY-GJZGRUSLSA-N 299.480 3.540 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)Cc2ccccc2C)n1 346842368 VYULXNRCXLLBGJ-CQSZACIVSA-N 265.360 3.613 30 20 CHED C=CCCCCNCc1cn(-c2ccccc2)nc1C 349561492 APOUURHTXFPYOK-UHFFFAOYSA-N 269.392 3.627 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cccc3nc(C)[nH]c23)no1 349693972 QFFJIQFNKFGLGF-SNVBAGLBSA-N 298.346 3.575 30 20 CHED Cc1cc(-c2noc(CCCCCC#N)n2)c(C)o1 350278719 OTTAHCXPXBFMPP-UHFFFAOYSA-N 259.309 3.573 30 20 CHED C=CCn1c(-c2cc(C)oc2C)nnc1N(C)[C@@H](C)CC 351074023 LCUFDCXNYNTPHJ-NSHDSACASA-N 288.395 3.576 30 20 CHED C[C@H]1COC[C@H](c2ccccc2)N1Cc1ccccc1C#N 354857474 ISQUEVQSZITZAI-HNAYVOBHSA-N 292.382 3.520 30 20 CHED C=CCCC1(C(=O)N2CCC=C(c3ccco3)C2)CC1 358968526 SLYMLQAYMGFWDX-UHFFFAOYSA-N 271.360 3.642 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@H](c2ccccc2F)C1 360267259 NTTZXGUFPPCYEV-GXTWGEPZSA-N 281.334 3.841 30 20 CHED COc1cccc([C@H]2C[C@H](C)CN2CCCCC#N)c1 360465654 GSWFELVBLKXNBG-WMLDXEAASA-N 272.392 3.772 30 20 CHED C=CCCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1 385583772 GKCOYTMTWCUABX-UHFFFAOYSA-N 287.190 3.662 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cc(OC)ccc1OC 393792115 FLKPHEOBVNEISR-STQMWFEESA-N 263.381 3.709 30 20 CHED C[C@H](SCCC#N)c1nc(-c2cccs2)no1 413009623 DFTNSNOBJDUIDD-QMMMGPOBSA-N 265.363 3.506 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 413103682 LOYXZMRGDOOCPW-HOTGVXAUSA-N 299.418 3.572 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@H]2C1 413834411 LYTPXOSUCFMZDS-OKZBNKHCSA-N 298.430 3.615 30 20 CHED N#CC1(CCOc2ccc(F)cc2[N+](=O)[O-])CCCCC1 418874237 ZIDXCVWDEOZLMN-UHFFFAOYSA-N 292.310 3.977 30 20 CHED CC(C)c1noc([C@@H](C)SCC2(C#N)CCC2)n1 419389065 SKTZBRDGRLYMHI-SNVBAGLBSA-N 265.382 3.681 30 20 CHED C=CCC[C@@H](NCc1cccc2c1CCCN2)C1CC1 423414774 NZXBSXBWGMBKDB-QGZVFWFLSA-N 270.420 3.879 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ncccc1Cl 429920459 FAIPVHMSJFMXGV-UHFFFAOYSA-N 292.791 3.625 30 20 CHED Cc1ccc2sc(C(=O)NCC3(CC#N)CC3)c(C)c2c1 431170314 XFGMOYDGSOQQIV-UHFFFAOYSA-N 298.411 3.942 30 20 CHED COc1cccc(C)c1NCc1ccc(CC#N)cc1 435884499 TXYWHNLLSVLOOE-UHFFFAOYSA-N 266.344 3.682 30 20 CHED CC(C)(C#N)Cc1nc(-c2ccc(O)c3ccccc23)no1 436614475 YBSVHIKMKPUFPN-UHFFFAOYSA-N 293.326 3.688 30 20 CHED CC[C@@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 437157704 UNVQLLLTAHXGAJ-CYBMUJFWSA-N 280.318 3.534 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C)C1CCCCC1 437487819 BOZUTTHKYLCHFE-LESCRADOSA-N 293.451 3.690 30 20 CHED C=C(C)CN(CC)Cc1ccc(C(=O)OC(C)C)cc1 441155985 MIRHSUKQFNQLAB-UHFFFAOYSA-N 275.392 3.650 30 20 CHED CC[C@H](CN[C@@H]1CC[C@H](C#N)C1)Oc1ccccc1Cl 442783757 NYKJLOIBSADFCP-BFHYXJOUSA-N 292.810 3.779 30 20 CHED C=CC[C@H](C)N[C@H](CCCOC)c1ccc(F)cc1 442854311 ACUJLBGJRABYEY-XJKSGUPXSA-N 265.372 3.848 30 20 CHED COc1cc(CN2[C@H]3CCCC[C@H]3C[C@H]2C)ccc1C#N 442881885 BMTTXAVORNAPDQ-KMFMINBZSA-N 284.403 3.720 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(C)ccc2O)CCCC1(C)C 443861606 RUCDWDBHVZGRTJ-INIZCTEOSA-N 287.403 3.908 30 20 CHED CC(C)(C)[C@@H]1CN(c2nccnc2C#N)c2ccccc21 443961207 KTGBFSZBIIJGBV-CYBMUJFWSA-N 278.359 3.630 30 20 CHED C=C(C)COc1cccc(N[C@@H]2C[C@H](C)O[C@H]2C)c1 449056216 ZKTKVISTCMIYQZ-HEHGZKQESA-N 261.365 3.619 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)C2CCCC2)CC1 449123287 NRMVPWKJRPHSBB-QGZVFWFLSA-N 264.457 3.585 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 449207929 RTPZGCTVTIMCMG-STQMWFEESA-N 264.417 3.714 30 20 CHED CC[C@H](CC(C)C)C(=O)N1CCc2ccc(C#N)cc21 450258824 TVQWNHLBNQWUJQ-CQSZACIVSA-N 270.376 3.520 30 20 CHED CCc1ccc(C(C)(C)NCC2(C#N)CCC2)cc1 450685389 WTQSMBOAOKFQOL-UHFFFAOYSA-N 256.393 3.768 30 20 CHED C=CCC1(C(=O)N[C@H](CC)CC(F)(F)F)CCCC1 450883307 PQFPRGGRBMAQNK-LLVKDONJSA-N 277.330 3.970 30 20 CHED C=C(C)[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc(F)c(F)c1 451154812 MKCKGFYQSGBUHD-WVATUKLVSA-N 281.346 3.738 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(Cl)cc1C 452775336 NXFAJPWLBWPGGU-UHFFFAOYSA-N 251.757 3.590 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2Cc3cccc(C)c3O2)n1 453190108 SGVLOEYLKWKDGS-ZDUSSCGKSA-N 284.359 3.908 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 454469824 XFEIBSGIKUWJEV-NSHDSACASA-N 295.452 3.767 30 20 CHED C=C(CC)CNC(=O)N(C)Cc1cccc(OC(C)C)c1 455515911 CAEJKCNGFNNRDR-UHFFFAOYSA-N 290.407 3.581 30 20 CHED C=C(C)CCNC(=O)c1ccc(-c2cccs2)nc1C 456121746 MZMCKPGDVZVKOK-UHFFFAOYSA-N 286.400 3.815 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N(C)CC(C)(C)C#N 458263084 ZMBWJSADSFNASM-CABCVRRESA-N 293.455 3.782 30 20 CHED C[C@@H]1CCC[C@@H](N2CCC(NCC(C)(C)CC#N)CC2)C1 459726305 DXPZGFFAFVSLJB-NVXWUHKLSA-N 291.483 3.559 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)NCC(C)(C)CC#N 459737107 VPYBIIBBTPEQFP-GFCCVEGCSA-N 264.800 3.800 30 20 CHED Cc1cccc(CN(CC(C)C)C(=O)[C@@]2(C#N)C[C@H]2C)c1 459974622 VSRLPVJWQNPPJH-CRAIPNDOSA-N 284.403 3.529 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]1CC 460561724 XGWVAZDITYHLAA-CQSZACIVSA-N 290.455 3.822 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](CC)C1CCC(C)CC1 461674291 WTWMLDFVNYSEEG-OOJKYFRXSA-N 251.414 3.920 30 20 CHED C[C@H]1CCC[C@@H]1N=c1c(C#N)c[nH]c2ccc(Cl)cc12 462822200 TYFUZSFNSLYAKZ-HZMBPMFUSA-N 285.778 3.782 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)C1CCCCC1 462857114 RNDBJWLAWUAMKH-JTQLQIEISA-N 263.772 3.987 30 20 CHED C=C[C@@H](C)NC(=O)C(C)(C)CCCc1ccccc1 465111835 KHPYCMGDFZDJDM-CQSZACIVSA-N 259.393 3.726 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](C(C)(C)C)C1 466365834 AJHGRKQGXTXDOK-ZIAGYGMSSA-N 266.429 3.809 30 20 CHED Cc1cc(Cl)ccc1CNCCc1cccc(C#N)c1 466412704 VJFCMFKZZAAJEI-UHFFFAOYSA-N 284.790 3.852 30 20 CHED CC#CCCCC(=O)Nc1cccc(-c2nccc(C)n2)c1 466421819 OHFGUZJTQVOIAX-UHFFFAOYSA-N 293.370 3.584 30 20 CHED CC#CCCCC(=O)Nc1ccc2c(c1)CC(C)(C)O2 466438880 QWCOQMCNAPRDSQ-UHFFFAOYSA-N 271.360 3.532 30 20 CHED C=CCOCCCN1CCC[C@H]1c1ccc(OCC)cc1 470715685 HPXZBSARGJAMCV-SFHVURJKSA-N 289.419 3.815 30 20 CHED CCCOc1cc(F)ccc1NC(=O)c1cccc(C#N)c1 470887064 BHFKNDOZPRMTME-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C=C(C)CN(CCO[C@@H]1CCCCO1)Cc1ccccc1 470919257 PJDUBIRVICAEDC-GOSISDBHSA-N 289.419 3.608 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1Nc1ccc(C#N)cc1 480530343 SRSMPRAVIAAPAN-HOTGVXAUSA-N 258.365 3.564 30 20 CHED C=CCN(CC(=O)N(C(C)C)C(C)C)CC1CCCCC1 484492354 WYWMADKNYIJECW-UHFFFAOYSA-N 294.483 3.700 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC(C(F)F)CC1 486813372 UQKCVWHKLYFNAH-UHFFFAOYSA-N 292.373 3.965 30 20 CHED Cc1nc(N2CC[C@@H](c3ccccc3)[C@H]2C)ccc1C#N 488118287 AKPRAYKIXYWTGS-RHSMWYFYSA-N 277.371 3.644 30 20 CHED N#Cc1c(F)cccc1COc1c(F)cccc1F 488224403 ALMIJIXMVRVOOD-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1csc(Cl)c1 488871905 AOSOSRADPYZUAD-SNVBAGLBSA-N 255.770 3.582 30 20 CHED C#CCN(Cc1oc(CC)nc1C)[C@H]1CCc2ccccc21 491362025 OWKZOHKBDBDBAO-KRWDZBQOSA-N 294.398 3.668 30 20 CHED N#Cc1ccc(NC(=O)CCc2ccsc2)c(Cl)c1 494619341 YSIHZSUBAHBUDK-UHFFFAOYSA-N 290.775 3.844 30 20 CHED Cc1c(C#N)cccc1NCc1cc(F)cc(F)c1 500750850 MDIHNTNCJLFEMK-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C[C@H](COc1cccc(F)c1)Nc1cccc(F)c1C#N 507019771 AQFVJEBDMSCTJY-LLVKDONJSA-N 288.297 3.716 30 20 CHED CCC(CC)(NC(=O)[C@@H](C)C#N)c1ccc(Cl)cc1 510401736 JQNSNXLZVZOKGG-NSHDSACASA-N 278.783 3.631 30 20 CHED C=CCN(CC=C)C(=O)COc1cccc(C(C)(C)C)c1 514592486 XLKIPNAXMVSJGZ-UHFFFAOYSA-N 287.403 3.564 30 20 CHED CC[C@@H](N[C@H](CO)C1CCCCC1)c1ccc(C#N)cc1 517215494 OAVZHJNEKOHYAJ-QZTJIDSGSA-N 286.419 3.540 30 20 CHED CC(C)(C#N)Cc1nc(-c2cccc3ccccc23)no1 518832455 MBWGLJNYGDTLID-UHFFFAOYSA-N 277.327 3.982 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cn2)CC[C@H]1c1ccccc1 521894588 UAVCPUXAJAXMCX-DNVCBOLYSA-N 291.398 3.579 30 20 CHED C=CC1CCN(Cc2ccc(F)cc2Cl)CC1 523606664 MBKDBAMXNZXTFX-UHFFFAOYSA-N 253.748 3.877 30 20 CHED CC(C)(C#N)CCC[S@@](=O)c1c(F)cc(F)cc1F 531341238 KHUUGQWUIYFKEL-LJQANCHMSA-N 289.322 3.541 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H]2CCCN2c2ccccc21 531561494 GOKKAIIRKSOGRM-MRXNPFEDSA-N 296.414 3.770 30 20 CHED Cc1ncc(-c2ccc(NC(=O)C3(C#N)CC(C)C3)cc2)o1 531815861 VDWGAXDNCPDTOD-UHFFFAOYSA-N 295.342 3.528 30 20 CHED Cc1cn(CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1C#N 532343461 SUICVKFIHASHRO-UHFFFAOYSA-N 295.386 3.604 30 20 CHED C=C(C)CN1CCC(NC[C@@H]2CCCC(C)(C)C2)CC1 532785802 MGAXZTTUCSHIJH-MRXNPFEDSA-N 278.484 3.833 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H](C(C)C)CC1)OCC 533684324 IEJORLIQMUTQTD-HZPDHXFCSA-N 281.440 3.642 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1F 537228974 FFIRRJMPXKJWSV-UKRRQHHQSA-N 293.382 3.844 30 20 CHED C[C@H]1CCN(c2ccc(Cl)c(C#N)n2)CC12CCC2 540024828 RUCJSLASPGSOBD-NSHDSACASA-N 275.783 3.623 30 20 CHED C=C(CC)CSCCOc1ccc([N+](=O)[O-])cc1 540193809 QDLPGNRCNHOVRT-UHFFFAOYSA-N 267.350 3.673 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCc1cc2ccccc2[nH]1 540482103 IMLJORYCBUPCGM-CQSZACIVSA-N 299.418 3.754 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C#N)s1 540895562 PRPMELUXDCAIFF-BZNIZROVSA-N 296.395 3.673 30 20 CHED C=CCC[C@H](C)NC[C@H]1SCCc2ccccc21 542704774 ISLKVDSJBZVPJY-XJKSGUPXSA-N 261.434 3.961 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H](C)C1 544444436 FJSAYACSJVPORI-UEKVPHQBSA-N 290.794 3.766 30 20 CHED C=CCCC(=O)Nc1c(-c2ccccc2)nc2ccccn12 545288387 HWBAEDXHRUAVHB-UHFFFAOYSA-N 291.354 3.906 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ncccc1Cl 550648407 MPCHFWDHRSYIEK-UHFFFAOYSA-N 292.810 3.944 30 20 CHED N#Cc1cccc(C2(NC/C=C\c3ccccc3)CC2)c1 551580677 TYQIAWFDBCAZHT-UITAMQMPSA-N 274.367 3.850 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 552154816 ZFILWWSYPCAUCK-GDBMZVCRSA-N 276.424 3.745 30 20 CHED C=CCn1cccc1C(=O)NC[C@H](c1ccccc1)C1CC1 554394401 GMYBCRRSLUPXLW-QGZVFWFLSA-N 294.398 3.598 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(OC)c(C)c(OC)c1 554439109 NVDYRLHWEOPTGN-UHFFFAOYSA-N 289.375 3.719 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@H](C)C1 555270694 IDLVCGBTLACOLX-RBSFLKMASA-N 290.455 3.850 30 20 CHED Cc1cc(CN[C@H](C(C)(C)C)C(F)(F)F)ccc1C#N 555545388 ULWMPSXSQQZHPW-CYBMUJFWSA-N 284.325 3.933 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C#N)ccc1Cl 556968906 NGPSSQPHXHVZNT-LLVKDONJSA-N 276.767 3.686 30 20 CHED N#CC1(CNC(=O)CCCc2ccc3ccccc3c2)CC1 559609799 CJNMVXCKPYZGBI-UHFFFAOYSA-N 292.382 3.582 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cccc(-n2ccnn2)c1 562056890 MGXHQNXXYBXDES-CABCVRRESA-N 284.407 3.663 30 20 CHED CCCC[C@@H](SCc1ccc(C#N)s1)C(=O)OC 564669046 YDVCQUYLXYLNCR-GFCCVEGCSA-N 283.418 3.585 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)c1cccc(F)c1C#N 566488885 QMDUSMUIOANVRS-HXUWFJFHSA-N 292.379 3.525 30 20 CHED C=CCCCCN(CC)CC(=O)Nc1c(F)cccc1F 569544621 BCYNWCUYJWYXEN-UHFFFAOYSA-N 296.361 3.582 30 20 CHED Cc1csc(NC(=O)N2CC(C)(C)[C@@H]2C2CC2)c1C#N 570642563 YHBRQMWTNDMGDN-LBPRGKRZSA-N 289.404 3.581 30 20 CHED N#CCCC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 571673999 LOBJRGVUSKOPIP-UHFFFAOYSA-N 293.754 3.768 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@H](F)C2)cc1C(F)(F)F 572694391 IIEQJKUTUSXGGQ-UWVGGRQHSA-N 272.245 3.880 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2ccccc2C#N)CC1 578444374 RSPYMIAGSCKUAG-CYBMUJFWSA-N 254.333 3.633 30 20 CHED COc1ccc(-n2ccnc2SCC2(C#N)CCC2)cc1 579798256 HJJQGAOKWKXACX-UHFFFAOYSA-N 299.399 3.667 30 20 CHED CCc1nocc1CNc1cc(C#N)ccc1OC(C)C 581440053 SJCVTEZWAFFHDZ-UHFFFAOYSA-N 285.347 3.508 30 20 CHED CC(C)c1ccc([C@H]2CCCN2c2cc(C#N)ncn2)cc1 583542862 BWUFJXCMXZXGFZ-QGZVFWFLSA-N 292.386 3.813 30 20 CHED CCCOc1cccc(NC(=O)CCCCCC#N)c1 588150317 DMBOLJJJLLYQJK-UHFFFAOYSA-N 274.364 3.888 30 20 CHED C[C@H](N[C@H](C)C[C@@H]1CCCCCN1)c1cccc(C#N)c1 591571007 SKQZWQHEPXDANV-VKJFTORMSA-N 285.435 3.520 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(Br)c(C)cc1C 593618896 UONFIMBMHITMIM-SNVBAGLBSA-N 295.180 3.554 30 20 CHED C=CCCSCCNC/C=C/c1ccccc1[N+](=O)[O-] 594960332 OJWIYYRSUNPGMO-SOFGYWHQSA-N 292.404 3.507 30 20 CHED N#CCNC1(c2ccc(Br)cc2)CCCCC1 595602422 VOWTYGGQPUYVKL-UHFFFAOYSA-N 293.208 3.722 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)NC2(C#N)CCCCC2)cc1C 597034941 VHOBXMXPNNCZCO-DLBZAZTESA-N 296.414 3.750 30 20 CHED CC(C)c1ccsc1C(=O)N1CCC[C@H](CC#N)C1 597911039 GDEOFANYUNJCHF-GFCCVEGCSA-N 276.405 3.637 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1ccccc1SC 599854434 BXYDLLSGNZEKAA-UHFFFAOYSA-N 290.432 3.697 30 20 CHED N#Cc1cc(Cl)ccc1SCCO[C@H]1CCCCO1 601914187 ULHIZUKZZFEMGA-AWEZNQCLSA-N 297.807 3.847 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2cccc(C#N)n2)C1 602477645 KSVXVTUJURIVAM-JKSUJKDBSA-N 291.398 3.640 30 20 CHED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)NCCCC#N 603168096 MIERNIKMXDSTLU-UHFFFAOYSA-N 299.296 3.748 30 20 CHED COc1c(C)ccc(N[C@@H](C#N)Cc2ccccc2)c1C 603585233 ZJFZONVGNBTBQK-MRXNPFEDSA-N 280.371 3.859 30 20 CHED Cc1cccc2c(N3[C@H]4CCC[C@H]3CC4)c(C#N)cnc12 610647745 HEPCYHDILIBRDZ-GJZGRUSLSA-N 277.371 3.936 30 20 CHED C[C@H](CCc1cccc(F)c1)N1CCC[C@](C)(C#N)C1 612406526 ORYQMIJHASHGSW-RHSMWYFYSA-N 274.383 3.772 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 619697579 VRIKUCHJULHPGR-SMDDNHRTSA-N 292.329 3.561 30 20 CHED C=CC[C@@H](C(=O)NCC1=CCCC1)c1ccccc1 620008566 NXIMAWDMIJVEET-MRXNPFEDSA-N 255.361 3.573 30 20 CHED C=CCN(C(=O)Cc1cc(Cl)ccc1OC)C(C)(C)C 622943292 WFZOQVPJVKRUDZ-UHFFFAOYSA-N 295.810 3.704 30 20 CHED C=CCN(C(=O)Cc1cc(F)c(C)cc1F)C(C)(C)C 622945372 BDLLONDHUHDIDF-UHFFFAOYSA-N 281.346 3.629 30 20 CHED CN(CC1(CC#N)CC1)[C@@]1(c2ccccc2)CCCCC1=O 639600930 LPQZKKQUUGPBPM-LJQANCHMSA-N 296.414 3.651 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 648592694 TVMZMKKAOSGLCN-YNEHKIRRSA-N 279.346 3.557 30 20 CHED C=CCCCCNC(=O)[C@@H](C)c1ccc(Cl)cc1 649932756 FBFVZEBYFVZOFN-LBPRGKRZSA-N 265.784 3.916 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2c(cnn2C(F)F)c1 652746596 UREBAGIUKGPWAY-UHFFFAOYSA-N 294.305 3.519 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC(C)(C)C[C@H](C)O 657921732 ZZALTCKFGNPPFQ-RRFJBIMHSA-N 253.430 3.508 30 20 CHED CC#CCCNc1nc(C(F)F)nc2ccc(F)cc12 663779632 RYCCJKRPYXDKNV-UHFFFAOYSA-N 279.265 3.532 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(OC)cc1C 665951174 GWYGPWOCAVSOBD-UHFFFAOYSA-N 276.380 3.870 30 20 CHED C=CCC1(NC2CC(c3ccc(C)cc3)C2)CCOCC1 668552478 MYDITWLETSGKEY-UHFFFAOYSA-N 285.431 3.956 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccccc1N1CCCC1 675150226 ILBNNZKQUPWGOU-UHFFFAOYSA-N 298.430 3.671 30 20 CHED CCC#C[C@@H](C)Sc1n[nH]c(-c2ccccc2F)n1 677130853 IKAGVUYJIMKUSM-SNVBAGLBSA-N 275.352 3.505 30 20 CHED C=C[C@@H](CC(=O)NC[C@H](C)C1CC1)c1ccccc1 677522927 NXVABQDNYYBUEF-KBPBESRZSA-N 257.377 3.509 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCc2c(Cl)cccc21 678816293 OEVSUWMZULJNGP-CQSZACIVSA-N 277.795 3.794 30 20 CHED C=CCCSCCN[C@@H](C)c1cc(C)ccc1O 710142710 MMGSKXZAMAWTDW-ZDUSSCGKSA-N 265.422 3.661 30 20 CHED C=CCCC(=O)OCc1coc(-c2ccc(C)cc2)n1 726652404 OYXVMTQZMWRKLU-UHFFFAOYSA-N 271.316 3.659 30 20 CHED C#CCCOC(=O)c1csc(-c2cccc(Cl)c2)n1 727042152 UUJZPOCQNIWPRY-UHFFFAOYSA-N 291.759 3.644 30 20 CHED C=C(C)CNC(=S)NC(C)(C)c1ccc(Cl)cc1 727289642 RRELAXOURFDMFV-UHFFFAOYSA-N 282.840 3.615 30 20 CHED C#Cc1ccc(C(=O)N(CC)[C@H](CC)c2ccccc2)cn1 728810594 KMJBUAALTWIWBN-GOSISDBHSA-N 292.382 3.676 30 20 CHED C#CCN(Cc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 728918342 XKMCWKYPATYKIC-UHFFFAOYSA-N 290.338 3.502 30 20 CHED C(=NNCCCOc1ccccc1)C1CCCCC1 729148207 VIROOUAIUUXZAN-UHFFFAOYSA-N 260.381 3.611 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1CCc2c(C)cccc21 729641353 GHRIKYJTNOIKAE-YLRSXTQRSA-N 281.355 3.816 30 20 CHED C=C(Br)CN1CC[C@@H](c2ccccc2F)C1 730663153 ABTFNDYNCZOTAZ-LLVKDONJSA-N 284.172 3.524 30 20 CHED C#CCOc1cccc(NC(=O)c2sccc2C2CC2)c1 731010978 DZZWBKDHBYFZKO-UHFFFAOYSA-N 297.379 3.890 30 20 CHED CCc1ccc(C=NNCCCc2ccccc2)s1 731153474 NUCXREQSYOJMFV-UHFFFAOYSA-N 272.417 3.867 30 20 CHED C=CCOc1ccccc1C/N=C\c1c(O)cccc1OC 731937070 GOCGCCUELXNXSY-UYRXBGFRSA-N 297.354 3.585 30 20 CHED CSc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)o1 732902840 NJRQVTXDKCTMTJ-JTQLQIEISA-N 287.340 3.791 30 20 CHED C#CCCOc1ccc(CNC2(c3ccccc3)CC2)cc1 733328665 XPQAFJMNPFQMTH-UHFFFAOYSA-N 291.394 3.868 30 20 CHED C=CC[C@H](NC(=O)c1ccc(OCC)cc1)c1ccncc1 734237007 JMAMTOUHPUWYGS-KRWDZBQOSA-N 296.370 3.528 30 20 CHED Cc1ccc(F)c(C=NNCCCOc2ccccc2)c1 734979426 PFLJJIAZXJEPGI-UHFFFAOYSA-N 286.350 3.527 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CC[C@@H](COC)C1 740473700 OQQOMWVXIVQNJN-HZPDHXFCSA-N 298.471 3.661 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1cccc(N(C)C)c1 741754441 QQYJXJICKTVCSG-UHFFFAOYSA-N 296.389 3.527 30 20 CHED COCc1ccc(C=NNc2ccc3ccccc3n2)cc1 741757979 WZFKBBUXTFNMNE-UHFFFAOYSA-N 291.354 3.827 30 20 CHED CC1(C)C(=NNc2cc(F)cc(F)c2)[C@H]2CCCO[C@@H]21 743437207 DJOSWQSTGOLGRV-OCCSQVGLSA-N 280.318 3.568 30 20 CHED CCCCCC[C@@H](C)NN=C1CCCC[C@@H]1OC 743450989 WEYXXFNWSAIYQV-HIFRSBDPSA-N 254.418 3.880 30 20 CHED C[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 745349563 WOCDQHJUGGLTCK-NZXMKCKXSA-N 284.142 3.552 30 20 CHED C=CCOCCCC(=O)OCc1cccc2ccccc12 745530214 LITZDFKABBAIJT-UHFFFAOYSA-N 284.355 3.866 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCC[C@H](C)C1 747061988 QKVUSIQABAPRNJ-JTQLQIEISA-N 261.325 3.881 30 20 CHED C=C(C)CN1CCC(NC(=O)CCCCCC(C)C)CC1 747905416 AEYIGNYUTZURRQ-UHFFFAOYSA-N 294.483 3.750 30 20 CHED Cc1cccc2cc(C(=O)N(CCC#N)CC(C)C)oc12 751375157 ZEUQYJFTDMVFJY-UHFFFAOYSA-N 284.359 3.753 30 20 CHED COc1cc(C)c(C=NNc2ccc(C)cc2)cc1OC 751515916 AWIGGAZQVAMFHR-UHFFFAOYSA-N 284.359 3.767 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(Cl)cc1 751516989 OCPSRXWDYCTHKR-LLVKDONJSA-N 252.745 3.554 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc3c(c2)CCN3C)s1 751524296 QQLILACCCMDTMP-ALCCZGGFSA-N 283.396 3.945 30 20 CHED Cc1ncsc1/C=C1/Cc2c(F)cc(F)cc2C1=O 751536513 RQKNOZUGRFPGHV-BAQGIRSFSA-N 277.295 3.552 30 20 CHED CCc1ccc(C(C)=NNc2nc3ccccc3[nH]2)o1 752159075 BYTSXGLAZIWPIA-UHFFFAOYSA-N 268.320 3.554 30 20 CHED C=CCN(C(=O)NCCCCCCSC)C(C)C 753259262 CYGMZHWEVVYNKT-UHFFFAOYSA-N 272.458 3.516 30 20 CHED CC/C(=C\C(=O)O[C@H](C#N)CC)c1cccc(Cl)c1 753422654 YTQJDMVAPOZDHO-MARXPDLDSA-N 277.751 3.979 30 20 CHED C=C(Cl)CN[C@H](c1ccc(F)cc1)c1ccccn1 753678293 ISSJIOMXUCKGFP-OAHLLOKOSA-N 276.742 3.652 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(OCC#N)cc1 755061433 FQOWPYNETRDQLQ-UHFFFAOYSA-N 296.370 3.624 30 20 CHED C#CC[C@H](NC(=O)c1cc2occc2s1)c1ccccc1 757598721 QKFNXCQPJFIKRW-ZDUSSCGKSA-N 295.363 3.989 30 20 CHED C=CCOC(=O)c1cncc(-c2ccc(Cl)cc2)c1 757882932 FAGYQQGOOIUCNT-UHFFFAOYSA-N 273.719 3.745 30 20 CHED C#CCCCC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 758061557 DPUZUEZZVUZJET-HUUCEWRRSA-N 263.425 3.901 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)Cc2c(F)cc(F)cc21 759083060 JNPDVAFRLXYLQV-QHHAFSJGSA-N 297.713 3.897 30 20 CHED CCC1(C)CCC(=NNc2ncccc2[N+](=O)[O-])CC1 759200363 ASXZMUZYLWBQSZ-UHFFFAOYSA-N 276.340 3.748 30 20 CHED C=C[C@@H](CC(=O)Nc1ccnn1CC1CC1)c1ccccc1 759478382 NBHSIHCFDIDSNI-HNNXBMFYSA-N 295.386 3.592 30 20 CHED C[C@@H]1C[C@H](CC(=O)[C@@H](C#N)c2ccncn2)CC(C)(C)C1 760351218 DGTRLQVNSIPHQB-MCIONIFRSA-N 285.391 3.505 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)C(CC)CC)c1ccncc1 761703418 BGQAFUDMZPNSRR-CJNGLKHVSA-N 274.408 3.887 30 20 CHED CCOc1cccc(/C=N\[C@H]2COc3ccc(C)cc32)c1O 763097067 OKUDHESHGDBGDS-HNIBHBHRSA-N 297.354 3.652 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)c1ccncc1 764022556 QGHNFBCXRFRYLD-JKSUJKDBSA-N 274.408 3.887 30 20 CHED Fc1ccccc1C=NNCc1ccc(Cl)cc1 764716989 CGTNBQSAMVIDFN-UHFFFAOYSA-N 262.715 3.603 30 20 CHED CC1CCC(=CC(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 765117302 AUWMCPRZHLTDAT-AWKYBWMHSA-N 274.408 3.664 30 20 CHED O=C(O)c1csc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 765826748 SNCAZVQINGUTRT-DUXPYHPUSA-N 294.278 3.621 30 20 CHED N#CCCCCOC(=O)c1ccc(-c2ccco2)s1 766365801 PRPBWMFJCVXLGH-UHFFFAOYSA-N 275.329 3.859 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1C#N 766491826 RMLYZHACSDDGJN-UTCJRWHESA-N 281.286 3.608 30 20 CHED C/C(=C/C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 766580960 FGALWIBQOBGDNL-LUJNMSEFSA-N 288.366 3.674 30 20 CHED CCON=C(C)c1cc(F)c(Cl)cc1Cl 767470703 YXFXNFPPINCUHU-UHFFFAOYSA-N 250.100 3.893 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc([N+](=O)[O-])s1 768365352 XVJKYVRHPSMXBS-UHFFFAOYSA-N 296.348 3.533 30 20 CHED CC(CCC1CC1)=NNc1nc2cc(F)c(F)cc2[nH]1 768772837 JWQQVELUJKXCFX-UHFFFAOYSA-N 278.306 3.819 30 20 CHED CC(=NNc1cccc(C)c1)c1ccccc1N(C)C 769567595 RYKLPOCPTPYHTN-UHFFFAOYSA-N 267.376 3.897 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(CCC(C)C)cc1 770328448 ZOAKCGVPTPGODI-CQSZACIVSA-N 272.392 3.761 30 20 CHED C/C=C(\C)C(=O)N(Cc1ccco1)c1ccccc1C#N 770490169 QQZVHWKQPZNKSZ-QLKAYGNNSA-N 280.327 3.651 30 20 CHED CCc1nn(C)cc1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 770576566 ZSSGRCUUASJRNY-DWKHYPNZSA-N 292.382 3.682 30 20 CHED C[C@H](C#N)COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 770931196 SNQPWDBWXDKTTK-JLZZUVOBSA-N 279.339 3.646 30 20 CHED C[C@H](C#N)CNN=Cc1cccc(Oc2ccccc2)c1 771107605 OFTVBPMBWNNMGD-CQSZACIVSA-N 279.343 3.562 30 20 CHED C=CCCCOC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 772104887 CQHLULSEAYLGDP-UHFFFAOYSA-N 284.359 3.817 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])c1 772805949 JKMYKPQRSPUKQF-UTCJRWHESA-N 297.310 3.813 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](CC)C2CC2)c1 772985786 YWBZUBREGPDKNB-NVXWUHKLSA-N 272.392 3.646 30 20 CHED CCC(=NNc1cc(F)cc(OC)c1)c1ccc(C#N)cc1 773068483 MTDFSROWPBINBC-UHFFFAOYSA-N 297.333 3.932 30 20 CHED C#C[C@@H](C)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 775384206 BQTOSKCJPVWDQL-CYBMUJFWSA-N 289.806 3.680 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@H](CO)C1 775552649 JKIZKYSGNCWFEK-HOTGVXAUSA-N 283.456 3.604 30 20 CHED N#C[C@@H](OC(=O)/C=C\c1ccccc1)C1CCCCC1 776360623 CIVWHYPIMCMYGW-YUQCYMQKSA-N 269.344 3.715 30 20 CHED CC(C)(C)c1nc(C=NNc2cc(Cl)ccn2)cs1 777907056 QEUPGECSDOAZDF-UHFFFAOYSA-N 294.811 3.935 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)Cc1ccccc1CC#N 779373014 VBQWXJXNFZKLLE-JKIFEVAISA-N 285.387 3.663 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](c2ccccc2F)C1 779905103 GQICCOHMWUNAAP-OAHLLOKOSA-N 287.378 3.725 30 20 CHED Cc1cccc(/C=C2/Cc3cc(O)ccc3C2=O)c1C 780187798 IKCHBKUDYHRVFL-NVNXTCNLSA-N 264.324 3.831 30 20 CHED CC(C)(C#N)CCCOC(=O)c1coc2ccccc12 783670638 SZWLLCOTDLGABY-UHFFFAOYSA-N 271.316 3.920 30 20 CHED CC(C)(C)C1CCC(C=Nn2c(S)nnc2S)CC1 783816418 RDPVOGUWDMKCNW-UHFFFAOYSA-N 298.481 3.542 30 20 CHED CCOc1ccc(CN(CCC#N)CC(C)C)cc1F 787049669 MOHCWOPTTLWTGT-UHFFFAOYSA-N 278.371 3.596 30 20 CHED CC[C@H](C)CON=C(C)c1cnn(C(C)(C)C)c1C 793158405 FGSBULBCVVFHLF-NSHDSACASA-N 265.401 3.733 30 20 CHED CCc1nc(C)c(C(C)=NOC[C@H](C)CC)s1 793159746 RFBXLAXOKGGOEJ-SECBINFHSA-N 254.399 3.801 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@@H]2CCC(C)(C)C2)cc1 793353363 SDKRBJBNECHSEL-GOEBONIOSA-N 286.419 3.988 30 20 CHED CN(C)c1ccccc1CNN=Cc1ccc2occc2c1 794956391 RIVQFXJWHFFNKR-UHFFFAOYSA-N 293.370 3.623 30 20 CHED COCCCON=C1CCCC[C@@H]1c1ccccc1 795055696 OIRVHHNUKNUTKT-OAHLLOKOSA-N 261.365 3.753 30 20 CHED CCC[C@@](C)(CC)C(=O)OCC(=O)c1cccc(C#N)c1 796333750 VCOQHAHXPVQKCI-QGZVFWFLSA-N 287.359 3.501 30 20 CHED COc1ccc(N(CCC(C)C)CC2(C#N)CC2)cc1 796502006 ARLQXORKKAMEJA-UHFFFAOYSA-N 272.392 3.851 30 20 CHED C#C[C@H](NC(=O)N(CC)Cc1cccc(Cl)c1)C(C)C 798553782 YZZKACIDMCSBFG-HNNXBMFYSA-N 292.810 3.529 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(C#N)c1 799309058 ZAXRRBGLKCNQSG-CJNGLKHVSA-N 270.376 3.565 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(C)c(C#N)c2)cc1C 799320227 SVJQPFKJHNUSCA-UHFFFAOYSA-N 278.355 3.760 30 20 CHED CCCCCCCCC[S@](=O)Cc1cnc(C)cn1 800800603 PLXFJXVEXHLXRY-IBGZPJMESA-N 282.453 3.784 30 20 CHED CC(C)C(Cn1cccn1)=NNc1cccc(Cl)c1F 802709324 AYHZUPBRABRNAX-UHFFFAOYSA-N 294.761 3.800 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1nc(Cl)c(C#N)s1 804505506 YUQQTJKSHACGTF-SMDDNHRTSA-N 289.791 3.810 30 20 CHED CC(C)CC1(C(=O)OCCCSCC#N)CCCC1 805489616 CFMLLELERMCXFU-UHFFFAOYSA-N 283.437 3.783 30 20 CHED Cc1c(C(=O)OC(C)(C)C#N)sc2cc(F)ccc12 805897236 KNEGFHRWXSOPDS-UHFFFAOYSA-N 277.320 3.808 30 20 CHED C=C(C)COC(=O)c1ccc(-c2ccccc2)nc1C 806282682 QECPTAUJPRZCBO-UHFFFAOYSA-N 267.328 3.790 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc(C#N)cc2F)co1 806557887 KZHMPPWCKPROSA-WAYWQWQTSA-N 284.290 3.705 30 20 CHED Cn1c(SCC2(C#N)CCCC2)nc2ccccc21 806580455 MZPFXXTUGMWTBX-UHFFFAOYSA-N 271.389 3.749 30 20 CHED C[C@H]1CC[C@@H](C=NNc2nccnc2C2CCC2)C1 807991575 OQXQCROLXABMRK-NWDGAFQWSA-N 258.369 3.578 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@@](C)(C#N)CSC)cc1 809137658 YLSYDOLXOXUBQN-WBMJQRKESA-N 290.432 3.575 30 20 CHED C#CCCCCCC(=O)N1Cc2ccccc2OC(C)(C)C1 809220765 FCHVNWBUTCXNRF-UHFFFAOYSA-N 299.414 3.770 30 20 CHED CC(C)c1scnc1NC(=O)Cc1ccccc1CC#N 809392362 PVDVFEGDKPNQQP-UHFFFAOYSA-N 299.399 3.514 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2cccc(OC)c2)cc1 809608348 QECVOMBOBYLMMS-AWEZNQCLSA-N 265.356 3.527 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2cccc(OCC)c2)cc1 809611489 DYYNHKKELXFOOZ-HNNXBMFYSA-N 279.383 3.917 30 20 CHED C=CCCCCOC(=O)c1c(-c2cccnc2)noc1C 811013481 XAQMDEBTFGRSCW-UHFFFAOYSA-N 286.331 3.558 30 20 CHED FC(F)(F)c1cccc(C=NOC/C=C\Cl)c1 811670676 YOPBUTWXOYILKX-JLKWVEIZSA-N 263.646 3.808 30 20 CHED C#CCCCNc1ccc(-n2ccc(C(F)(F)F)n2)cc1 811786438 PVACDTCHEBYMPO-UHFFFAOYSA-N 293.292 3.716 30 20 CHED CC(C)OCCON=Cc1cc(Cl)cc(Cl)c1 812238461 VXTVQWSZOBLSSN-UHFFFAOYSA-N 276.163 3.769 30 20 CHED CC(=NNc1ccccc1Br)c1ccccn1 812461488 XJXGHYNJMBQPSL-UHFFFAOYSA-N 290.164 3.680 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C(C)C)cn2)c1 812974243 VTPARDGCHJIJIF-UHFFFAOYSA-N 292.382 3.853 30 20 CHED CCCCCC[C@@H](CC)C(=O)N[C@@](C)(C#N)CC 813081043 IHDDGGDOSJAMHT-UKRRQHHQSA-N 252.402 3.791 30 20 CHED CC/C=C(/C)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813221498 TUNLUZGZHQHFSG-NJHLSQGMSA-N 282.265 3.633 30 20 CHED COc1ccccc1CC(=NOCC1CC1)C(C)C 814243628 GXXMTGUCBDXXQD-UHFFFAOYSA-N 261.365 3.676 30 20 CHED CC(C)c1cnc(C=NOC2CCCCC2)s1 814909803 KYBNEWNMKNBGPT-UHFFFAOYSA-N 252.383 3.950 30 20 CHED CCOc1ccc(NN=Cc2cccc(OC)c2F)cc1 814984603 DBFSVCURSUWHDV-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(CCSC)cc1 815325240 WRRJBJXRGALXQO-UHFFFAOYSA-N 285.359 3.742 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)/C=C/c1ccccc1C#N 819180513 BZEWTRIOBJUFAK-ZNFPLGDCSA-N 282.387 3.514 30 20 CHED C[C@@H](NN=C1Cc2ccc(Cl)cc2C1)c1ccncc1 819817068 UZTAUQGMXLGNNO-LLVKDONJSA-N 285.778 3.540 30 20 CHED Cc1cc(CNCC[C@]2(C)CC2(Cl)Cl)ccc1C#N 824971131 PFXSABPXSIZYDH-CQSZACIVSA-N 297.229 3.930 30 20 CHED C#Cc1cccc(CN[C@H]2CCCOc3cc(C)ccc32)c1 834902937 LOGWUAYXQGUNDH-IBGZPJMESA-N 291.394 3.980 30 20 CHED Cc1cnccc1C=NNc1ccc(C(C)C)cc1 835018057 GBOZSWLUJDPGCK-UHFFFAOYSA-N 253.349 3.959 30 20 CHED CC[C@@H]1CCCC1=NNc1cccc(Br)n1 835024211 FNKVBYQDHPZGMN-SECBINFHSA-N 282.185 3.822 30 20 CHED Cc1ccc(C(C)(C)C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 839048815 GPYYZNXYEZISAC-GDBMZVCRSA-N 285.387 3.898 30 20 CHED CCCCOc1ccc(C(=O)/C=C\c2cc(C)nn2C)cc1 841487491 VUDZWMWUYNGDRW-FLIBITNWSA-N 298.386 3.804 30 20 CHED Fc1ccc(F)c(CNN=C2CCC(F)(F)CC2)c1 842528820 VGQUEAMFCYMEMX-UHFFFAOYSA-N 274.261 3.620 30 20 CHED C[C@@H]1CC/C(=C/C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)C1 842940698 IPVBETCAZVTURF-TZHJSBJOSA-N 286.400 3.943 30 20 CHED C=CCC(C)(C)c1noc(CNc2ccccc2)n1 843235599 SIASKSRBWDSKIM-UHFFFAOYSA-N 257.337 3.535 30 20 CHED C=C(Cl)CN(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 844328142 ISXFTODTIDZRKZ-CQSZACIVSA-N 298.883 3.563 30 20 CHED CCCCCCCCCNC(=O)N1C[C@@H]2[C@H](C1)C2(F)F 844865717 ZVAZUMYCBLDREN-BETUJISGSA-N 288.382 3.644 30 20 CHED COc1cc(N[C@H]2CCC[C@@H](C#N)C2)cc(Cl)c1OC 846048764 KYOAUDLLVPPCFX-MNOVXSKESA-N 294.782 3.851 30 20 CHED C=C[C@@H](C)ONC(=O)CCc1ccc(Cl)cc1Cl 846544673 RSQZPDULPLMMCP-SECBINFHSA-N 288.174 3.548 30 20 CHED C=C[C@H](C)ONC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 846556131 YEPHZCSFJNZNFL-IHRRRGAJSA-N 273.376 3.598 30 20 CHED Cc1ccc(COC(=O)[C@H](C)Cc2ccc(C#N)cc2)s1 846912780 NWTJDNANWDBNST-GFCCVEGCSA-N 299.395 3.850 30 20 CHED C[C@@H](OC(=O)c1cc(Cl)nc(C2CC2)c1)C(C)(C)C#N 847668169 SJGQAYIGOVDDEF-SECBINFHSA-N 292.766 3.707 30 20 CHED CC1(NC(=S)Nc2ccc(C#N)c(Cl)c2)CC=CC1 848646389 HOWKGZPNHNAAKY-UHFFFAOYSA-N 291.807 3.607 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1nc(C2CC2)cs1)c1ccco1 851100481 JMEQQMYQVJJCMP-UMAGTOLTSA-N 298.367 3.893 30 20 CHED C[C@@H](Cc1ccsc1)OC(=O)CCc1ccc(C#N)cc1 851144648 JQGWUFNMHJHDKX-ZDUSSCGKSA-N 299.395 3.727 30 20 CHED C=CC(C)(C)CCOC(=O)CCCc1csc(C)n1 851299280 FQCUKJQBIZUBPG-UHFFFAOYSA-N 281.421 3.920 30 20 CHED C=CC[C@H]1CCCN(Cc2ccnc(Cl)c2)C1 852410026 GFJORTLHOOOEJW-LBPRGKRZSA-N 250.773 3.523 30 20 CHED CC(C)OCCON=C1CCC(=C2CCC2)CC1 853348498 JGVMLLKFZMGXBB-UHFFFAOYSA-N 251.370 3.839 30 20 CHED C[C@@H](ON=CC1CC1)C(=O)Nc1ccc(C(C)(C)C)cc1 853735170 OMWIKRKWLCENDT-GFCCVEGCSA-N 288.391 3.724 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1cccc(F)c1 853783746 XZCIGQMWADICMM-SECBINFHSA-N 273.760 3.638 30 20 CHED C=CCCCC(=O)Nc1nccc2ccc(C)cc12 855094265 ZHTPZDZHADXINQ-UHFFFAOYSA-N 254.333 3.838 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H]1c1cccnc1 858111654 NJNSJWPRGJDEAW-MRXNPFEDSA-N 289.423 3.899 30 20 CHED CC[C@H](C#N)OC(=O)/C=C/c1ccccc1C(F)(F)F 869739325 GKVQAVDJLOOEAP-WSKFYRRCSA-N 283.249 3.564 30 20 CHED CC#CCCCC(=O)Nc1ccc(C(=O)C(F)(F)F)cc1 870749662 YKQRLEYQAVRNCQ-UHFFFAOYSA-N 297.276 3.564 30 20 CHED Cc1cccc2sc(C(=O)NCCC#N)c(Cl)c12 871595681 HOBRXQGSFSAETH-UHFFFAOYSA-N 278.764 3.507 30 20 CHED C=CCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)C(C)(C)C 878950800 ZIGVRUPKNVTMJK-LJQANCHMSA-N 298.430 3.714 30 20 CHED CCC(CC)N(CC)C(=O)Nc1cc(C#N)ccc1F 888369282 QUMOXWJVWQLVBL-UHFFFAOYSA-N 277.343 3.740 30 20 CHED N#CCOc1cc(F)ccc1NC1CC2(CCCC2)C1 893437101 OXTCQUAYZXECJY-UHFFFAOYSA-N 274.339 3.863 30 20 CHED C=CCC1(C(=O)NCc2cccc(-c3cnco3)c2)CCC1 898155816 FHEHKPJIQPHJOT-UHFFFAOYSA-N 296.370 3.704 30 20 CHED Cn1cc(/C=C\C(=O)c2cccc(Cl)c2)c(C2CC2)n1 899336313 SAXKJVJSMWUZEK-FPLPWBNLSA-N 286.762 3.847 30 20 CHED N#Cc1sccc1C(=O)N1CCCC2(CCCCC2)C1 906654610 KWCWRYPDPGMGSH-UHFFFAOYSA-N 288.416 3.806 30 20 CHED Cc1nsc(C)c1C(=O)OCCCCC1(C#N)CCC1 909337789 LOSHXBXXHBTXEQ-UHFFFAOYSA-N 292.404 3.781 30 20 CHED C=CCN(C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)C 915153044 BBKCGFSOXJXSER-BRWVUGGUSA-N 295.467 3.887 30 20 CHED CC(C)Oc1ccc(C=NNc2ccccc2[N+](=O)[O-])cc1 915933564 BSKSBWBPCNFGQC-UHFFFAOYSA-N 299.330 3.828 30 20 CHED CCCCNN=Cc1c(C)nn(-c2ccccc2)c1Cl 915969267 HECMHPHXCJXVKI-UHFFFAOYSA-N 290.798 3.558 30 20 CHED Oc1ccccc1/C=N\Cc1cc2c(s1)CCCC2 915981834 XJWHHSFJKLOWRL-YVLHZVERSA-N 271.385 3.952 30 20 CHED CC(C)c1ccc(C=NNc2cccc(C(=O)O)c2)cc1 916255268 NRJZJXZXMSVMMH-UHFFFAOYSA-N 282.343 3.954 30 20 CHED COc1cc(C=NNc2cccc(Cl)c2)cc(OC)c1 916268183 OUKBVWLFZDFHBO-UHFFFAOYSA-N 290.750 3.803 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc3c(c2)OCCO3)c1 916345847 PBMLTWAGGHUVBZ-UHFFFAOYSA-N 282.343 3.521 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1cc(C)ccc1Cl 917309039 UDRMJFIEZDOUPX-NSHDSACASA-N 268.740 3.535 30 20 CHED COc1cccc(/C=N/Cc2ccccc2OC(C)C)c1O 917557882 GYMMIWJLBIKKSZ-XDHOZWIPSA-N 299.370 3.807 30 20 CHED COc1ccc(O)c(C=Nc2cc(C)ccc2F)c1 920942765 CYDSZGRXZVSUDY-UHFFFAOYSA-N 259.280 3.599 30 20 CHED CN(C)c1ccc(N=Cc2cc(Cl)ccc2O)cc1 920943630 XXOZVJVCGIYEGB-UHFFFAOYSA-N 274.751 3.862 30 20 CHED C#CCCCCN[C@@H](C)c1cc(-c2ccccc2)no1 925527211 OTGMQPDZHVKKMQ-AWEZNQCLSA-N 268.360 3.796 30 20 CHED Cc1ccccc1C[C@H](NCC1(C#N)CC1)c1ccco1 926873310 FLAFFIYZYGVCEE-INIZCTEOSA-N 280.371 3.765 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1ccc(F)c(F)c1 930542105 RSKZLHQTEGPJDJ-JTQLQIEISA-N 253.292 3.530 30 20 CHED C=CCN(C(=O)Nc1ccc(C(F)F)cc1)[C@H](C)COC 933094535 RXGPEQBNBXIMKI-LLVKDONJSA-N 298.333 3.679 30 20 CHED COC(=O)c1cccc(/C=C\C(=O)c2sccc2C)c1 1116270660 FERSFWJMZFVQNN-SREVYHEPSA-N 286.352 3.739 30 20 CHED N#Cc1cc2ccccc2nc1N1CCCC(F)(F)CC1 1118810848 NFPYMBVEFSPRRD-UHFFFAOYSA-N 287.313 3.732 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC[C@@H]1[C@@H](C)CCC 1121699527 YXYPJWLIUKQWEV-NWDGAFQWSA-N 298.381 3.807 30 20 CHED N#C[C@@H](C(=O)C=C1CCC1)c1nc2cccc(Cl)c2[nH]1 1123347341 ROSUAPNWNARQNA-JTQLQIEISA-N 285.734 3.503 30 20 CHED C=C[C@H](C(=O)N[C@@]1(C#N)CCC[C@H](C)C1)c1ccccc1 1123663154 QMHRFFBKLGJDKE-ZVZYQTTQSA-N 282.387 3.545 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2cc(Cl)ccc2F)n1 1162995048 QNQAULVVUJOSAJ-SECBINFHSA-N 290.729 3.622 30 20 CHED N#Cc1cncc(Sc2c(Cl)cccc2Cl)n1 1184536921 ZKLFRGQBFRQVKP-UHFFFAOYSA-N 282.155 3.806 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC2CCCCC2)c1 1186882438 ZTJWUEPGLLYTGQ-UHFFFAOYSA-N 271.364 3.569 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1275465529 WJRKMTVXHIZTCC-TUVASFSCSA-N 263.381 3.828 30 20 CHED Cc1ccnc(N2CCC[C@]2(C)CC(C)C)c1C#N 1307130865 WTWNKOXQZQWYHV-MRXNPFEDSA-N 257.381 3.667 30 20 CHED Cc1cc(SCC(=O)N(C)c2ccccc2)ccc1C#N 1307363173 YPSJUTAJZCEQIY-UHFFFAOYSA-N 296.395 3.622 30 20 CHED COc1cccc([C@H](C)Nc2nc(C)cc(C)c2C#N)c1 1317902816 MEFVZMRPNDGGPC-ZDUSSCGKSA-N 281.359 3.752 30 20 CHED COC(=O)c1cccc(C=NNc2cc(C)cc(C)c2)c1 1323859590 YKKVUNLKLISOES-UHFFFAOYSA-N 282.343 3.536 30 20 CHED CC[C@H](NC(=O)c1csc(C#N)c1)C1CCCCC1 1326814668 NAFDUNRIWZBQAA-AWEZNQCLSA-N 276.405 3.708 30 20 CHED CC[C@@H](C)c1nnc(-c2cc(-c3cccc(C#N)c3)no2)o1 1329094898 NPTVQASCLRIZCD-SNVBAGLBSA-N 294.314 3.777 30 20 CHED C=C(C)CCC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 1337087580 JJWUAGMYAMUMDP-FUHWJXTLSA-N 287.403 3.627 30 20 CHED C[C@H](CC#N)N(C)C(=O)C(c1ccccc1)c1ccccc1 1339160374 GJNVRAICDJBSMG-OAHLLOKOSA-N 292.382 3.579 30 20 CHED C[C@H](CC#N)OC(=O)c1c(Cl)cccc1OCC1CC1 1343276043 WUPLKMLWLDSYDY-SNVBAGLBSA-N 293.750 3.588 30 20 CHED CSc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1 1348995869 HNJXLRZXCXKOAF-UHFFFAOYSA-N 286.331 3.672 30 20 CHED N#Cc1sccc1C(=O)Nc1ncc(Cl)cc1Cl 1352097050 JSPDEULFTSLTIM-UHFFFAOYSA-N 298.154 3.574 30 20 CHED Cc1cc(C)c(CCNC(=O)c2ccsc2C#N)c(C)c1 1435665798 WOFOTDDTEAWAMA-UHFFFAOYSA-N 298.411 3.518 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)c2c1CCC2 1457401195 OYZNIXVBGDRAKP-UHFFFAOYSA-N 294.329 3.747 30 20 CHED CN(c1ncc(C#N)cc1F)[C@@H]1CCC[C@H]1c1ccccc1 1458428813 VDBMMALDKPMRDQ-DOTOQJQBSA-N 295.361 3.865 30 20 CHED CC1(CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCCCC1 1460797636 NQJBKDWJNHRPAY-ZIAGYGMSSA-N 263.381 3.972 30 20 CHED C[C@H](NCc1cccc(C#N)n1)c1cc2ccccc2o1 1462096952 WLCBNSUWLCBEHF-LBPRGKRZSA-N 277.327 3.550 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(C#N)c(F)cc1F 1462285158 PRSHCFDXLUOLEK-NXEZZACHSA-N 278.302 3.601 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)/C=C/SC)c1cccs1 1515589773 ORDHZCGLGOHKRW-XKGOSNOPSA-N 281.402 3.759 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC 1519293102 RTXBQPONONJHJW-MRXNPFEDSA-N 297.402 3.686 30 20 CHED CSc1ccc(CCC(=O)O[C@@H]2CC[C@@H](C#N)C2)cc1 1525006742 PNWMTMCGNOVADB-ZIAGYGMSSA-N 289.400 3.577 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C#N)cc2F)C1 1529107591 QYHRKXJFGCSORL-OBJOEFQTSA-N 288.366 3.642 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@@H](C)CC(C)C 1533138482 ICNHRKZFRAELPW-LBPRGKRZSA-N 286.375 3.772 30 20 CHED N#Cc1c(F)cc(C(=O)NCC2CCCCCC2)cc1F 1556629496 WHAJUGNQEUBSLS-UHFFFAOYSA-N 292.329 3.537 30 20 CHED CCC[C@@H](C)N(C)c1nccc(Oc2cccc(C#N)c2)n1 1559067423 JJRVMLTVQKBSDJ-CYBMUJFWSA-N 296.374 3.765 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2ccc(O)cc2)cc1 1559362175 VWSRQWDDJOJQLI-INIZCTEOSA-N 269.369 3.928 30 20 CHED CN1CCN(CCC(C)(C)C#N)c2ccc(Cl)cc21 1560042533 QTNGLICDJSZACY-UHFFFAOYSA-N 277.799 3.536 30 20 CHED C=CC[C@@H](N[C@@H](C)c1csc2ccccc12)C(=O)O 1588745510 JRCHYEHSIBRTAN-GXFFZTMASA-N 275.373 3.581 30 20 CHED COc1ccc(NC(=O)C2CCCCCCC2)cc1C#N 1595803251 MKQHPJTYISRDPY-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C=CC[C@@H](CC)N[C@H](C(=O)O)c1c(F)cccc1Cl 1609290785 XQUOFLHVVYMAPZ-RNCFNFMXSA-N 285.746 3.549 30 20 CHED Cc1cc(C)c(C(=O)O)cc1NC1CCC(C)(C#N)CC1 1610450225 WJDZWOSVGWQCFU-UHFFFAOYSA-N 286.375 3.886 30 20 CHED Cc1ccc(NN=C2CCC[C@H]2C(C)(C)C#N)cc1C(=O)O 1610509423 HTYZKNYSGJLPQN-CQSZACIVSA-N 299.374 3.811 30 20 CHED Cc1cc(NCCc2c(C)cccc2C)ncc1C#N 1612105705 CKVRZKBGWFHPID-UHFFFAOYSA-N 265.360 3.533 30 20 CHED N#Cc1cc(=N[C@H](C2CCCCC2)C2CCC2)cc[nH]1 1651978015 LIDMCHTWZDKEFG-QGZVFWFLSA-N 269.392 3.536 30 20 CHED COc1ccc(CN[C@@H]2CCC[C@H]2C(C)(C)C)cc1C#N 1656419906 UJYKFYBXYOJWAR-HZPDHXFCSA-N 286.419 3.871 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1 1657521101 DIEUZHHJSKDKJM-JKSUJKDBSA-N 256.393 3.863 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)c(F)c2)[C@@H]1C 1659009536 PKMWEGULLAQBNK-IOASZLSFSA-N 274.383 3.859 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC2CCC(C)(C)CC2)C1 1776153954 ZRMYCKYUTOZZJQ-SFHVURJKSA-N 293.451 3.946 30 20 CHED C=CCN(Cc1cccc(F)c1)Cc1ccccc1C(=O)O 1776181161 BBQVBUALPKBHDX-UHFFFAOYSA-N 299.345 3.712 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 23010186 HGKLAFFMQXAQBU-CVEARBPZSA-N 267.372 3.845 30 20 CHED C[C@H]1CCCCN1c1ccc(C#N)c(C(F)(F)F)c1 35994563 VGJJKTNTZNQCIE-JTQLQIEISA-N 268.282 3.956 30 20 CHED CC(=O)Nc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 37187614 QQTSDRNSDSWBRR-LBPRGKRZSA-N 279.343 3.690 30 20 CHED COc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 37216282 MVGBUTPTIHBGJF-GFCCVEGCSA-N 252.317 3.740 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 37748681 MSDXJFJFLUYDDK-QGZVFWFLSA-N 268.335 3.938 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)c(C)c1 40360722 NYPIOWITBWTDGN-MRXNPFEDSA-N 270.376 3.506 30 20 CHED N/C(=N\Cc1cccc(C(F)(F)F)c1)Nc1ccccc1 48069751 ALGWOEKOSROCRW-UHFFFAOYSA-N 293.292 3.632 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2cccs2)cc1 49882530 IXOZMPQNUBPXGL-AWEZNQCLSA-N 284.384 3.647 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1ccc(C)cc1C 49990496 JXARBBOLYOJBLM-UHFFFAOYSA-N 258.365 3.596 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc(C(F)(F)F)cc1 52027957 YVJLTNBXFNMANF-UHFFFAOYSA-N 296.273 3.891 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)cc1F 54802617 JWCHHSNYKHVKNG-DJWKRKHSSA-N 298.313 3.665 30 20 CHED Cc1cc(C)c(CNc2nnc(C)c(C)c2C#N)c(C)c1 63736306 AOXUJWVSULZPDS-UHFFFAOYSA-N 280.375 3.502 30 20 CHED CCC[C@H](C)C(=O)Nc1sc(C)c(CC)c1C#N 68677900 ARYALJDQUOXUJJ-VIFPVBQESA-N 264.394 3.865 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC1CCCC1 75299358 IBVLWHLAQKOINM-MSOLQXFVSA-N 296.414 3.865 30 20 CHED CCCCS(=O)(=O)/N=C(\O)[C@@H](c1ccccc1)C(C)C 76762212 LTDNTSYTJBAHOO-CQSZACIVSA-N 297.420 3.513 30 20 CHED N#Cc1nnc2ccccc2c1Oc1ccc2c(c1)CCC2 77165277 IYOHLLARVJTQQA-UHFFFAOYSA-N 287.322 3.782 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2cncc(F)c2)c1 78023099 WLFOAXJKHRWRJJ-ONEGZZNKSA-N 255.292 3.734 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cnc(Cl)s1 78688885 BZJZSKDZMLVIQA-UHFFFAOYSA-N 271.817 3.558 30 20 CHED Cc1ccc(CCCC(=O)Oc2ccc(C#N)cc2)s1 79380501 PRIPMQKDVYANLG-UHFFFAOYSA-N 285.368 3.857 30 20 CHED CC[C@@H](C#N)OC(=O)c1oc2ccc(Cl)cc2c1C 84709455 PTNRQNMLGPYJDE-JTQLQIEISA-N 277.707 3.854 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc(C(C)C)nc2ccccc12 92005467 YENLYNBDSIWFNF-CYBMUJFWSA-N 295.386 3.780 30 20 CHED N#Cc1c(Cl)nsc1Nc1ccc(F)cc1 92581292 NNZIXGXOPGPINW-UHFFFAOYSA-N 253.689 3.551 30 20 CHED Cc1cc(N(C)C)ccc1NCc1cc(C#N)cs1 93685848 MNPOQRZYFTXUIX-UHFFFAOYSA-N 271.389 3.606 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2CCCCCC2)n1 102115457 WBZROILROUJMTO-GFCCVEGCSA-N 262.378 3.598 30 20 CHED C#Cc1cccc(N(C(=O)c2ccc(C#N)cc2)C(C)C)c1 102909311 HPUFINLKKMMUDY-UHFFFAOYSA-N 288.350 3.595 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 111722772 DQIOPGQQVSMPPH-UHFFFAOYSA-N 297.402 3.918 30 20 CHED CCn1cc(/C=C/C(=O)c2cccc3ccccc23)cn1 111998076 URJIQAMIJCFVCF-ZHACJKMWSA-N 276.339 3.952 30 20 CHED C=C(Br)CN(CCCC)CC(F)(F)F 112408435 GQTQWTDKBGLCRM-UHFFFAOYSA-N 274.124 3.559 30 20 CHED C=CCCC(=O)N1CCSC[C@H]1c1ccc(C)cc1 116134967 HGOXLGUMHODYRB-HNNXBMFYSA-N 275.417 3.578 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CCC2CCCC2)C1 116802469 RGGCXQZCYTYLNE-CZUORRHYSA-N 262.397 3.545 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cccc(-c2ccncc2)c1 119370155 YLWBQWVBGJQLAD-KGLIPLIRSA-N 252.361 3.974 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(C(C)(C)C)cc1 120655175 KGYSTAXOXFDOAM-QGZVFWFLSA-N 272.392 3.652 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CCc1ccccc1 122873982 WEJVOYSBQSSMTI-OAHLLOKOSA-N 264.372 3.794 30 20 CHED C=CCC[C@H](CCC)NC[C@@H](O)c1ccc(F)cc1 124909537 FAVOGJTZCYQVNT-JKSUJKDBSA-N 265.372 3.584 30 20 CHED C[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(C#N)cc1 126629188 ONIUOWBEWURUQV-KGLIPLIRSA-N 280.371 3.546 30 20 CHED C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C1CCC1 128412309 ZQCQMSKKWGZWRF-CZUORRHYSA-N 285.391 3.519 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1cccc(C#N)c1 131139540 JDSTVCSFESJWJB-SOFGYWHQSA-N 265.287 3.902 30 20 CHED C[C@@H](Nc1cnn(-c2ccccc2)c1)c1ccc(C#N)cc1 132480390 COOAPVUNWWDQEZ-CQSZACIVSA-N 288.354 3.917 30 20 CHED Cc1c(NC(=O)C(C)(C)C#N)cccc1C(F)(F)F 132530339 DWDGGENOECFITC-UHFFFAOYSA-N 270.254 3.502 30 20 CHED COc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1C#N 134949100 PZUOWCUYOPHALL-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED COc1ccc(C#N)cc1CSCc1cnc(C)s1 151512439 BWIMMKHGPGCFEZ-UHFFFAOYSA-N 290.413 3.765 30 20 CHED N#CCCN(CCc1cccc(F)c1)C1CCCC1 152557410 YGXZRPIQLRBASO-UHFFFAOYSA-N 260.356 3.526 30 20 CHED CCCCCCCC(=O)NC[C@@H](C)c1c(C)noc1C 152889008 PPIBWJRAXZDBGS-GFCCVEGCSA-N 280.412 3.872 30 20 CHED CCC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)C(C)C 153124953 RAVLCQFZOBKGJL-UONOGXRCSA-N 297.402 3.822 30 20 CHED C=CCC[C@H](CCC)NC[C@@H](c1ccco1)N(C)C 154146491 DFMNGQGOLSFPOZ-GJZGRUSLSA-N 264.413 3.607 30 20 CHED C[C@H]1CSC(S[C@@H](C)c2ccc(C#N)cc2)=N1 155379490 WJFAOMPADMMZNV-UWVGGRQHSA-N 262.403 3.844 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC)c(OC)c1Cl 159013146 FYLVKSLXYIVMMZ-UHFFFAOYSA-N 283.799 3.755 30 20 CHED N#Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)[nH]1 159384484 AQFFADHLDSQGNT-KRWDZBQOSA-N 293.370 3.644 30 20 CHED C[C@H](CCc1ccc(O)cc1)NCc1ccc(C#N)cc1F 162496983 WXOZDLFUCUGWNV-CYBMUJFWSA-N 298.361 3.514 30 20 CHED CC1(C)CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 162657423 MOBLIAVDOSBWQU-JTQLQIEISA-N 283.297 3.963 30 20 CHED C=CCCCOc1ccc(Br)cc1C#N 167751255 OOHWWQFZETVEIJ-UHFFFAOYSA-N 266.138 3.666 30 20 CHED Cc1ccccc1C1(C(=O)Nc2ccc(CC#N)cc2)CC1 170701451 UMEOZHHSWTUNJY-UHFFFAOYSA-N 290.366 3.731 30 20 CHED Cc1ccc(N/C(N)=N/[C@@H]2C[C@H]2c2cccc(F)c2)cc1C 170911151 YCFGZLHFBDKSHF-DLBZAZTESA-N 297.377 3.725 30 20 CHED C#CCCCNC(=O)Nc1ccc(C(C)(C)C)cc1 174256372 TXGPZMKAFVEVMI-UHFFFAOYSA-N 258.365 3.519 30 20 CHED N#CCC1(COC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 174756829 JQGHAGHTLBICGY-UHFFFAOYSA-N 289.762 3.609 30 20 CHED Cc1cc(C)c(C(=O)N[C@@H](C#N)c2ccccc2Cl)o1 176680396 YBLZMFPRONNCKU-ZDUSSCGKSA-N 288.734 3.545 30 20 CHED COCCn1c(SCCCC(C)(C)C#N)nc(C)c1C 177232459 DPDGRPOBFMRANX-UHFFFAOYSA-N 295.452 3.568 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@@H](C)CC1)c1ccccc1 179179734 HFKZFSFNNCBVBM-CVEARBPZSA-N 271.404 3.995 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnn(C(C)C)c1 179456102 NTBDPLCLEBMBCG-UHFFFAOYSA-N 276.428 3.616 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H](C)CCCc1ccccc1 179839994 GNSZIXZFIYGOGC-HZPDHXFCSA-N 286.419 3.654 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C)c(C)cc1Cl 180808909 HUMYCKNDWDQZIS-LLVKDONJSA-N 251.757 3.651 30 20 CHED C[C@]1(CNCc2ccc(C#N)o2)CCCc2ccccc21 182005336 HXXYDUNQOJDWSD-GOSISDBHSA-N 280.371 3.535 30 20 CHED C[C@H](CN(C)CCCC(C)(C)C#N)c1nccs1 183922685 ODKRCDLWPGRZPE-GFCCVEGCSA-N 265.426 3.508 30 20 CHED N#Cc1cccc(CN2C[C@H]3CCC(=O)c4cccc2c43)c1 184789538 WEIUYNUWLVZGIO-OAHLLOKOSA-N 288.350 3.639 30 20 CHED CN(Cc1cscn1)c1cc(C#N)ccc1C(F)(F)F 185243226 RMHADKQSOITOKQ-UHFFFAOYSA-N 297.305 3.670 30 20 CHED C[C@@H](C#N)Nc1cc(Cl)ccc1OC1CCCC1 186538493 QTCWUNOFBXUCEQ-JTQLQIEISA-N 264.756 3.985 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCCc1ccccc1 187522019 CORRZMRBXNLBNF-UHFFFAOYSA-N 286.419 3.940 30 20 CHED C[C@]1(c2ccccc2)CC[C@H](NCCCCC#N)C1 187950553 SJFHXVKSOQRLPC-IRXDYDNUSA-N 256.393 3.780 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)nc1Br 188022346 ILNYMCUOSBPUGT-CYBMUJFWSA-N 297.196 3.693 30 20 CHED CC(=O)c1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 188188963 PMTZBNMCPWCGTB-LBPRGKRZSA-N 264.328 3.934 30 20 CHED C=CCC[C@@H](C(=O)N(C)CC(=C)C)c1ccccc1 189012164 RVHLUZSXGVGSIV-MRXNPFEDSA-N 257.377 3.771 30 20 CHED N#Cc1cccc(OCCCSCC[C@@H]2CCCO2)c1 190051193 LXIVERSDBWXANF-HNNXBMFYSA-N 291.416 3.629 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCc3c(O)cccc32)CCC1 190217410 PEEMZBXDVCZAOY-OAHLLOKOSA-N 285.387 3.632 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)cc1 191246879 JIJNYYPKKMHHHT-VAWYXSNFSA-N 297.402 3.882 30 20 CHED C=CCSCCN[C@H]1CCSc2ccc(OC)cc21 191529098 RXYPYRJGWHUBCO-AWEZNQCLSA-N 295.473 3.741 30 20 CHED C#CCCCC(=O)N[C@H](CC)c1cccc(Cl)c1 192071243 AGTKDTJRLUILSV-CQSZACIVSA-N 263.768 3.711 30 20 CHED CCCCCCCCC(=O)Nc1ccc(F)nc1 224608026 XNOWQERVKRJWDV-UHFFFAOYSA-N 252.333 3.910 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1cccc(C#N)c1F 229593133 PNCRDTCPQYTCHQ-WFASDCNBSA-N 260.356 3.756 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(F)cc(Cl)c1 230015932 APJVIZSIKXRXIA-UHFFFAOYSA-N 268.719 3.748 30 20 CHED C[C@@H](CNc1c(F)cc(C#N)cc1F)c1nccs1 230606978 ABLDKOJNQMMZHH-QMMMGPOBSA-N 279.315 3.509 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1 248074286 HZLIIYQSRMMVFC-GOSISDBHSA-N 290.366 3.844 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2[C@H]3CCC[C@H]32)CC1 248632684 IHZQYIWLDWKWIJ-KFNLSRQFSA-N 288.435 3.647 30 20 CHED C[C@H](CCN[C@@H]1CCC[C@@H](C#N)C1)N(C)Cc1ccccc1 248756171 GDZNIBWUCBHKQW-BHIYHBOVSA-N 299.462 3.569 30 20 CHED CC[C@H](C)[C@@H](C(=O)N[C@H](CC)CC#N)c1ccccc1 249745687 NAYUFWOUPHQLGV-NUEKZKHPSA-N 272.392 3.625 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O 250833961 SRPVLFDDNOSZKJ-GVDBMIGSSA-N 295.467 3.889 30 20 CHED Cc1cccc(/C=C\C(=O)c2c(C)nn(C)c2C)c1C 255049287 RMJMVFWJACKOIS-KTKRTIGZSA-N 268.360 3.550 30 20 CHED CCOc1ccc(C=NOCc2ccccc2)cc1 255481184 YYWRPNAKCJJGRF-UHFFFAOYSA-N 255.317 3.636 30 20 CHED Oc1ccc2ccccc2c1/C=N\Cc1ccccn1 255541907 VFROWZLAAHGPSP-PDGQHHTCSA-N 262.312 3.560 30 20 CHED Cc1ccc(-c2ccc(/C=C\C(=O)c3cnn(C)c3)o2)cc1 255711070 LLSJJKJRDVCRRN-CLFYSBASSA-N 292.338 3.885 30 20 CHED O=C1/C(=C/c2csc([N+](=O)[O-])c2)Cc2cc(F)ccc21 255905929 NRFIJHWYCAGBPB-XCVCLJGOSA-N 289.287 3.618 30 20 CHED Cc1noc(C)c1C[C@@H](C)Nc1ccc(C#N)c(Cl)c1 265541139 DLSFGSZVSIWNHT-SECBINFHSA-N 289.766 3.860 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCCc1nc2c(C)cccc2o1 268903700 GIUGZMGPWAECHM-TZMCWYRMSA-N 272.392 3.869 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2cscn2)s1 271766509 AMMFQMSKRSFHQM-SNAWJCMRSA-N 278.402 3.793 30 20 CHED Cc1ccsc1CN[C@H](C)c1ccc(C#N)c(F)c1 271910591 ALJXRIFHVKTSSI-LLVKDONJSA-N 274.364 3.918 30 20 CHED C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H]2CCCC[C@H]12 272904819 GSHLPZOKIIAMFB-ZTFGCOKTSA-N 284.403 3.599 30 20 CHED Cc1nc(-c2ccc(C)c(N[C@@H]3CCC[C@@H](C#N)C3)c2)n[nH]1 274242408 WMIZEFZEZCGENB-UKRRQHHQSA-N 295.390 3.583 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCC1(C)C 274693242 KPDDVSWKRLGUNO-OLZOCXBDSA-N 286.375 3.742 30 20 CHED C=C(C)CCN[C@@H](c1ccccc1)c1nccs1 274782366 LCIRRYIRJDNIIM-AWEZNQCLSA-N 258.390 3.788 30 20 CHED C#CCCCNc1cc(Cl)ccc1OC[C@H]1CCOC1 275019555 PKRCFXJKYXYWKI-ZDUSSCGKSA-N 293.794 3.581 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C(=O)CC(C)(C)C#N 278414809 WHNZPDORFSUWSJ-INIZCTEOSA-N 272.392 3.782 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccccc1SC)C1CC1 282064453 WHHOPJMSAWPYEF-LBPRGKRZSA-N 290.432 3.830 30 20 CHED CCCCN(C(=O)c1ccc(C#N)c(Cl)n1)[C@H](C)CC 283163978 VVNFHHVASROLFD-LLVKDONJSA-N 293.798 3.647 30 20 CHED Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)c(Cl)cc1F 287400611 BNSNMQOVRKWDHH-VIFPVBQESA-N 283.734 3.553 30 20 CHED C=C(C)CCc1noc(-c2cccc(NC(C)=O)c2C)n1 289330745 ZNGIGUSHFJAAAT-UHFFFAOYSA-N 285.347 3.512 30 20 CHED CCC(CC)c1cc(CNc2ccc(C#N)c(C)n2)on1 291855722 HOLJGQXAXYLZCL-UHFFFAOYSA-N 284.363 3.765 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc([C@H]3CCOC3)cc2)C1 294904005 FRMNJOTZDPLQSP-UKPHBRMFSA-N 270.376 3.685 30 20 CHED C=CCNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 301217416 BEQNISYFAXMISR-ZZXKWVIFSA-N 289.684 3.674 30 20 CHED COCc1ccc(Sc2cccc(F)c2C#N)cc1 301484189 VFRRXHNSOSKJNX-UHFFFAOYSA-N 273.332 3.995 30 20 CHED N#Cc1ccc(NCCCc2cccc(Cl)c2)cn1 301494427 AUTUYCMVACTIRO-UHFFFAOYSA-N 271.751 3.651 30 20 CHED Cc1ccc([C@H]2CCCCN2c2ccc(C#N)cn2)cc1 301569856 KQAGCEYAUGQADA-QGZVFWFLSA-N 277.371 3.993 30 20 CHED CCC[C@@H]1CCCCN1c1snc(Cl)c1C#N 302133602 LKNNBXDCVCTYNV-SECBINFHSA-N 269.801 3.827 30 20 CHED C=CC[C@H](CC)NCc1cscc1Br 308604903 PHWVSDZLCWDBKL-JTQLQIEISA-N 274.227 3.955 30 20 CHED C#C[C@H](NCc1cc(F)cc(C(F)(F)F)c1)C(C)C 311276184 HIYJPFZVISBAOX-ZDUSSCGKSA-N 273.273 3.592 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1sc(C(C)(C)C)nc1C 320460678 LFCGXNZWKQXPME-AAEUAGOBSA-N 296.480 3.727 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cccc(C3CC3)n2)CCC1=O 329287657 PHRQAXVNRLWEAZ-ZYHUDNBSSA-N 272.348 3.552 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)c2cnc3cnccc3c2)[C@@H]1C 329288706 QCVIIARNFZKBIW-JMSVASOKSA-N 283.375 3.759 30 20 CHED CSC1(C(O)=Nc2cccc([C@H]3CN=C(O)C3)c2)CC1 330011231 IQEMTEXKJAOENI-LLVKDONJSA-N 290.388 3.614 30 20 CHED CC(C)c1ccoc1/C(O)=N/[C@H](CO)CC1CCCC1 330483384 UTKGONCNRODROG-ZDUSSCGKSA-N 279.380 3.649 30 20 CHED C=CC/N=C(/O)Nc1ncc(C2CCCCC2)s1 330816998 REBBGYUAOZWFCH-UHFFFAOYSA-N 265.382 3.703 30 20 CHED CC[C@@H]1CCCCN1C(O)=Nc1cc(F)cc([N+](=O)[O-])c1 330977322 OQMVWOPXCTZFPP-GFCCVEGCSA-N 295.314 3.544 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1ccoc1Br 331130635 OUSXYBUDLNTONQ-GFCCVEGCSA-N 299.168 3.675 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1N[C@@H](C(=N)O)c1ccc(C#N)cc1 331358632 VLEWTHWOFZVEAZ-GUYJKWIASA-N 285.391 3.549 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 331477662 DOOVWOXQASLXET-ZACQAIPSSA-N 297.402 3.534 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)c1cccc(CC#N)c1 335334254 BMLIXWCUEZQSTE-UHFFFAOYSA-N 298.773 3.991 30 20 CHED N#CCC1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 335978645 OLIYWHWTWFKRJM-UHFFFAOYSA-N 294.354 3.712 30 20 CHED CSc1ccc(C)c(NC(=O)c2ccc(C#N)c(C)n2)c1 336576114 XJGDXBBXDGCPCE-UHFFFAOYSA-N 297.383 3.544 30 20 CHED Cc1ccc(C#N)c(NCC2(c3ccccc3)CCC2)n1 341424531 YOYKQCPSZMANHC-UHFFFAOYSA-N 277.371 3.796 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 341853903 PEVMXYVADIJWPR-UONOGXRCSA-N 293.382 3.716 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[C@@H](C#N)C(C)C 343677320 UCSFHNFPTLEQQU-YCPHGPKFSA-N 284.403 3.640 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C1C(C)(C)C1(C)C 345325130 UPUPZMWFIDMWME-UHFFFAOYSA-N 278.440 3.847 30 20 CHED CCc1ccccc1[C@H]1C[C@H]1C(=O)NCC(C)(C)CCC#N 346023512 VXOKNKQJGVEEPQ-IAGOWNOFSA-N 298.430 3.799 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 347882099 OUNYRTPNVIGQPH-UHFFFAOYSA-N 290.366 3.777 30 20 CHED C=CCOCCCN[C@@H](Cc1ccccn1)c1ccccc1 348093453 ZXZHQMIHGWBGII-IBGZPJMESA-N 296.414 3.548 30 20 CHED N#CC1(CN[C@@H](CC2CCC2)c2ccccc2)CC1 351151934 YALKQYWGKCSDBL-INIZCTEOSA-N 254.377 3.811 30 20 CHED C[C@@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@@H](C)C1 354344491 VAGBVZFRHGHSIT-NEPJUHHUSA-N 290.794 3.720 30 20 CHED CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc(CC#N)cc1 355083741 UBEKEIOOTKWCMI-LLVKDONJSA-N 299.296 3.605 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc3ncccc3c2)no1 356129484 CCCMPAJNANQYMH-LBPRGKRZSA-N 295.342 3.939 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 356623692 CXIKEBWQYPTKIT-DOTOQJQBSA-N 284.403 3.935 30 20 CHED C=CCCC1(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)CC1 356706529 FEVFPIASEATDCG-GOEBONIOSA-N 261.409 3.772 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@H]1c1ccc(Cl)cc1 357679177 HEKZOZXKVVQQLM-JSGCOSHPSA-N 269.735 3.575 30 20 CHED CCc1cnccc1[C@@H](C)NCc1ccc(C#N)cc1F 358515719 NKBGQYSIKOOBLZ-GFCCVEGCSA-N 283.350 3.506 30 20 CHED CC[C@H](C(=O)N(C)[C@H](C)CC#N)C1CCC(C)CC1 359290539 CWASZNAETBHWOS-JYVUQVBGSA-N 264.413 3.599 30 20 CHED Cc1ccnc(N[C@@H]2CCCc3ccc(F)cc32)c1C#N 360103467 VPOVKKVXAWQKMX-MRXNPFEDSA-N 281.334 3.890 30 20 CHED Cc1cc([C@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)o1 360112453 XSGMRQDDVZJAQW-STQMWFEESA-N 296.370 3.749 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)CC(F)(F)F)c1C#N 361757261 QZGPDMVNTPPFLA-LURJTMIESA-N 277.677 3.668 30 20 CHED N#Cc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1F 362290234 ZLZZSGGZNFHRTB-UHFFFAOYSA-N 298.292 3.507 30 20 CHED CC1=C(C)CN(c2ccc(C#N)cc2Br)CC1 382999701 PMTKIDOQGUSRTP-UHFFFAOYSA-N 291.192 3.867 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(-c2cccc(C#N)c2)n1 395034670 BHUYBJXPIOSUSZ-BXUZGUMPSA-N 267.332 3.902 30 20 CHED C=CCc1ccccc1OCC[C@H](O)c1ccccc1 402433916 JFBJPLHPKUFLKK-KRWDZBQOSA-N 268.356 3.918 30 20 CHED CC[C@H](C)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 409445850 CAECVTFUBCFEIP-USXIJHARSA-N 256.393 3.804 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(CCC#N)C(C)(C)CC 410726833 YDFIMROGRTTZAH-AWEZNQCLSA-N 266.429 3.990 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(C(C)(C)C)s1 410826744 JAUIHOWZULOJDG-NSHDSACASA-N 278.421 3.810 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccc(F)c(Br)c1 411765192 AIDROCDVKGQVDL-NXEZZACHSA-N 299.187 3.931 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(SC)c1 413945649 GEZGGSRVWJPXLJ-CYBMUJFWSA-N 282.796 3.940 30 20 CHED N#CCCN[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 414450147 WMJIDMJVMTVKRX-HIFRSBDPSA-N 262.784 3.869 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](CC(C)C)OC)c1 415103077 BXEUMRNERKDNMO-INIZCTEOSA-N 291.391 3.641 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)CC(F)(F)F 416922793 PBDDMOMCCLIRGM-VIFPVBQESA-N 299.296 3.577 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CC[C@H](C#N)C2)c1 425274927 RYXUJEQENWIYCU-GXSJLCMTSA-N 279.265 3.681 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl 425553669 UEHZYNAKYBPDPP-JQWIXIFHSA-N 276.767 3.976 30 20 CHED C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C 426426341 HDFWMAQJDLWRLZ-STQMWFEESA-N 281.321 3.787 30 20 CHED C[C@H](CN(C#N)c1ccc(F)c(C#N)c1)c1ccccc1 428320969 WYTRBFRVQMNWBY-CYBMUJFWSA-N 279.318 3.789 30 20 CHED CO[C@@H](C)c1noc(CSCCCCC(C)(C)C#N)n1 435889319 SHKFXEDAHUJXDI-NSHDSACASA-N 297.424 3.730 30 20 CHED CN(C(=O)C1C[C@H]2CCC[C@H](C1)C2)c1ccccc1C#N 435903655 SDYOBUOATPPYAD-KBPBESRZSA-N 282.387 3.737 30 20 CHED N#Cc1cccn(CC2CCC(c3ccccc3)CC2)c1=O 436044025 AUZQEMWLFMCECH-UHFFFAOYSA-N 292.382 3.694 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1O 436819136 CPJNZUQWKMALTD-CQSZACIVSA-N 273.376 3.696 30 20 CHED CCN(C(=O)N[C@H](CCC#N)c1ccccc1)C1CCC1 440236891 GDEKJEIJWPPRIK-MRXNPFEDSA-N 285.391 3.615 30 20 CHED C=CC[C@H]1N(Cc2nc(C(C)C)no2)CCCC1(C)C 444780024 DAOATWKNCBQYSY-CYBMUJFWSA-N 277.412 3.760 30 20 CHED C=C[C@](C)(CCOC)C(=O)NC(CC(C)C)CC(C)C 445666527 WKWUVZUCRVFZEK-QGZVFWFLSA-N 283.456 3.792 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)C1CCCCC1 446191622 JEBCXPMPCKACRL-STQMWFEESA-N 252.402 3.561 30 20 CHED C=C(CN[C@@H](c1ccccc1)c1ncc[nH]1)c1ccccc1 446826396 IGTSZQCUZGBMIE-SFHVURJKSA-N 289.382 3.802 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCC#Cc1ccccc1 449211968 YRLVUBWOLQBFJY-KRWDZBQOSA-N 271.404 3.617 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC[C@@H](CC)c1ccccc1 449548875 RMRZSVZUEBDRMG-OIISXLGYSA-N 259.393 3.503 30 20 CHED C=CCC1(C(=O)N2CCc3cccc(F)c3C2)CCCC1 450339028 NJVMPPDIQCIKPV-UHFFFAOYSA-N 287.378 3.847 30 20 CHED C=C(C)CCNC(=O)[C@H](C)Cc1cccc(Cl)c1 452716014 GBEUIHJZBLHODR-GFCCVEGCSA-N 265.784 3.601 30 20 CHED C=CCC1(c2nc(Cc3cccnc3)no2)CCCCC1 453047919 MWJVOULQOYNTCH-UHFFFAOYSA-N 283.375 3.833 30 20 CHED CC(C)[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@H]1C(C)C 454166783 JVMDTLZZIYEZBM-CVEARBPZSA-N 285.391 3.703 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CCSc2ccc(F)cc21 454190813 HRTLXHHOBAQGIN-ZDUSSCGKSA-N 294.395 3.628 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)NCCCCC#N 454450579 HWNAUAMQEOEMSO-LSDHHAIUSA-N 279.428 3.586 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1c(F)cccc1F 455007364 ZYPZXQVWLRWZRG-UHFFFAOYSA-N 296.361 3.709 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1[C@H](C)CCC 455319708 GUNRMJOEYDJICL-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC2(CCCC2)CC1 455365269 KHQGWVADOZJPDX-UHFFFAOYSA-N 264.413 3.564 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(C#N)CC1 455538559 KFEQRWDVIMDIJF-JKSUJKDBSA-N 291.439 3.538 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H]2CCCC[C@H]21 459297665 RPZYVBLGKQXKNB-CZUORRHYSA-N 299.374 3.621 30 20 CHED CN(CCCSCC#N)[C@@H]1CCC[C@H]1c1ccccc1 459681859 YDAKORHNTKWZKP-DLBZAZTESA-N 288.460 3.901 30 20 CHED C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC=C(C)CC1 460799612 PCXYPYBNZVCDQD-UHFFFAOYSA-N 298.390 3.579 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H](C(C)(C)C)C1 466365832 AJHGRKQGXTXDOK-KGLIPLIRSA-N 266.429 3.809 30 20 CHED C[C@@H](CNCCc1cccc(C#N)c1)Cc1ccccc1 467541029 DENFTBWRWJLCCQ-MRXNPFEDSA-N 278.399 3.569 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 467816958 YKERDNLTRFHPHF-BPKGMFCQSA-N 273.420 3.696 30 20 CHED C=CCN1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 468845190 FHPWUDRPIOYESL-LJQANCHMSA-N 279.383 3.981 30 20 CHED C=CCOCCCN1CC[C@@H](CSc2ccccc2)C1 470789822 NDIVUZFRVMONKQ-MRXNPFEDSA-N 291.460 3.693 30 20 CHED C=C(C)CSCCC(=O)Nc1ccc(Cl)cc1 477016639 DMSNMJVLPIVJJE-UHFFFAOYSA-N 269.797 3.978 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N 481182377 BKQAUFMTKCLSBJ-BLLLJJGKSA-N 260.356 3.756 30 20 CHED C=CCN(CC1CCCCC1)C(=O)COc1ccccc1 482738665 WTHICUKZYVQWPI-UHFFFAOYSA-N 287.403 3.660 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)cc1C#N 483778209 QWZXUKXPQCWOGF-RISCZKNCSA-N 274.339 3.852 30 20 CHED Cn1cc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)cc1C#N 486866726 OCMZKXUZWONRBZ-MSOLQXFVSA-N 293.414 3.713 30 20 CHED Cc1cc(CN2CC[C@@H](c3cccc(F)c3)C2)ccc1C#N 487886433 ZBSVCWJPDSSZPP-GOSISDBHSA-N 294.373 3.995 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@H]4CCC[C@@H]4C3)c2c1 488128466 RVDARICUUHILRL-ZIAGYGMSSA-N 277.371 3.651 30 20 CHED C=CCn1cccc1C(=O)N(CCCC)CCCC 488483210 SGBFRDJIJPIPPW-UHFFFAOYSA-N 262.397 3.717 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 488823360 WVCFEAUDDAVRGS-FRRDWIJNSA-N 291.341 3.635 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)SCc1ccccc1 488846505 TTYSOQJTAMGIQH-ZBFHGGJFSA-N 289.444 3.875 30 20 CHED C=C[C@@H]1CCCCN1Cc1ncc(-c2cccs2)o1 489466630 YSFVJXVPHUYGLK-GFCCVEGCSA-N 274.389 3.944 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2CC2(C)C)cc1 490674271 UGCMXCWXOOIWFM-ZDUSSCGKSA-N 285.391 3.655 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cc2c(s1)CCCCC2 497133659 UIMHIUDMPOEAGG-UHFFFAOYSA-N 290.432 3.639 30 20 CHED C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc(C#N)cc1 502594090 UFRKRJUBRUCSBN-NILFDRSVSA-N 294.345 3.759 30 20 CHED Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1C 509668801 RRLJGYSRMOGJHN-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CC[C@](C)(C#N)C(=O)NCCCc1ccc(C(C)C)cc1 513021949 MNLNKDFVZJLPLQ-GOSISDBHSA-N 286.419 3.799 30 20 CHED N#Cc1c[nH]c2c(F)ccc(Cl)c2c1=NC1CCCC1 515549122 BIRPILAVQZVEAI-UHFFFAOYSA-N 289.741 3.675 30 20 CHED Cc1ccccc1C[C@H](C)Nc1ccc(C#N)cc1 517760397 NXRGHPMAIUWFRH-AWEZNQCLSA-N 250.345 3.910 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cc(Cl)cc3cccnc23)C1 521967002 AEUMRXWRKFLCSF-MFKMUULPSA-N 271.751 3.992 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(C(C)C)c(Cl)c1 526042934 USONBQRVXUCEQN-HNNXBMFYSA-N 278.783 3.885 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c2cccnc12 527034694 POSSTOHVJBOPAI-QGZVFWFLSA-N 284.359 3.784 30 20 CHED C[C@H](NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 527850407 WTWOIZANRPHLQY-GKEYINFOSA-N 282.387 3.562 30 20 CHED C[C@H](N(C)Cc1cn2ccccc2c1C#N)C(C)(C)C 532929078 YSELKUBKVRYJAQ-ZDUSSCGKSA-N 269.392 3.677 30 20 CHED N#Cc1ccc(SCCN2CCCCC2)c(Cl)c1 533177432 MZJJDXBSKQKYHM-UHFFFAOYSA-N 280.824 3.790 30 20 CHED CC[C@@H](C)CSCc1cccc(C(=O)OC)c1C#N 534428435 BLALGSNOLQEDRZ-LLVKDONJSA-N 277.389 3.624 30 20 CHED C=CCN(CC=C)C(=O)NCC1CCC(C)(C)CC1 534703000 VHETVXZJYUEOIC-UHFFFAOYSA-N 264.413 3.586 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(C)c1F 537314369 NWCBCMBMBQZFHV-UHFFFAOYSA-N 279.355 3.836 30 20 CHED C=CCN(C(=O)NC[C@@H](CC)c1ccccc1)C1CC1 539016930 UZMLGNFVCVEGRN-CQSZACIVSA-N 272.392 3.540 30 20 CHED C=CCN(C(=O)CCc1c[nH]c2cc(C)ccc12)C1CC1 539035621 PYLHRDQPTVSZBX-UHFFFAOYSA-N 282.387 3.586 30 20 CHED C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1CCC(C)(C)C#N 540715243 OKICHNQTMNEUMR-DLBZAZTESA-N 299.462 3.521 30 20 CHED CCCCCN(CCCCC)C(=O)NC[C@H](C)C#N 541945940 SHFSDELCDZTDEI-CQSZACIVSA-N 267.417 3.538 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC1(Cc2ccccc2)CC1 542142002 JYPTVVQOHDDWKO-MRXNPFEDSA-N 286.419 3.663 30 20 CHED C=C(C)CN1CCC(NC[C@@H]2CCC[C@H](CC)C2)CC1 544111900 GYDZGDCNAAZTLE-DLBZAZTESA-N 278.484 3.833 30 20 CHED N#CCc1ccc(-c2nc(Cc3cccc(F)c3)no2)cc1 546261327 UADWLDKQXAGQGH-UHFFFAOYSA-N 293.301 3.533 30 20 CHED N#Cc1ccc(F)c(CNc2cccc3cc[nH]c23)c1 548467549 GLQZEAQKGVWKHB-UHFFFAOYSA-N 265.291 3.791 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cnc(OC)c(Cl)c1 551240017 CIZWRZMUUAIDIP-LLVKDONJSA-N 282.815 3.997 30 20 CHED CCc1ccc(CNC2(c3cccc(C#N)c3)CC2)s1 551581614 OJDUUMOGXJXHQE-UHFFFAOYSA-N 282.412 3.961 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)CC(C)(C)c1ccc(C)cc1 552049907 IECNHPKZMFVAPS-SFHVURJKSA-N 286.419 3.671 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H](CC2CC2)C1 555696752 DVRFQMIQCUYNGS-CZUORRHYSA-N 254.377 3.741 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1Nc1cccc(C#N)n1 556597325 VSHWWYUABADCCX-SJCJKPOMSA-N 263.344 3.689 30 20 CHED COc1cc(N[C@@H]2CCc3ccc(C#N)cc32)ccc1F 562104614 UYCHWJVQAMZIHK-MRXNPFEDSA-N 282.318 3.805 30 20 CHED CC[C@H](CC(=O)N1CCc2ccc(C#N)cc21)C(C)C 564351280 WIPCDSRMXFUXAS-CQSZACIVSA-N 270.376 3.520 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)OCC(C)C)CCCC1(C)C 564622374 UWGGBAVCAQVPEI-GJZGRUSLSA-N 281.440 3.641 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(c2ccc(C#N)c(N)n2)C1 565784460 IXIUQWJGDNJXJC-OAHLLOKOSA-N 292.386 3.513 30 20 CHED CCc1nc(S[C@H](C)c2cccc(C#N)c2)nc(O)c1C 566926452 LSKVJUUIRFCSNT-LLVKDONJSA-N 299.399 3.778 30 20 CHED CC(C)(CC#N)CSc1n[nH]c(CCC2CCCC2)n1 568269769 XBQUUBZYLCJOPO-UHFFFAOYSA-N 292.452 3.959 30 20 CHED C=CCOCCOc1ccc(Cl)c(C(F)(F)F)c1 568416695 CKDGDKRNCIDTAJ-UHFFFAOYSA-N 280.673 3.940 30 20 CHED CC1(C)CCC[C@H](CNC(=O)N2CCC(CC#N)CC2)C1 570045286 IVLDZOOHCKBMIR-HNNXBMFYSA-N 291.439 3.538 30 20 CHED CC1(C)CC[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 571906192 XMNXKMYYLKNOIP-CQSZACIVSA-N 296.330 3.615 30 20 CHED C[C@H]1CN(C(=O)CCCCCC#N)c2ccccc21 588151697 JWEYJSXCISHRJV-ZDUSSCGKSA-N 256.349 3.611 30 20 CHED Cc1ccc([C@H](C)NCC(C)(C)CCC#N)c(C)n1 588231646 HODQHKULVUHAHV-ZDUSSCGKSA-N 259.397 3.679 30 20 CHED Cc1cccc2c1N(C(=O)CCCCCC#N)CCC2 588835273 ORRFZBBMEONLJN-UHFFFAOYSA-N 270.376 3.748 30 20 CHED C=C(C)COc1cccc(NC(=O)COCCCCC)c1 589383016 UGIDZFJFUUPIIM-UHFFFAOYSA-N 291.391 3.787 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1sccc1C#N 592572412 HGVCWSINRLYWFB-WDEREUQCSA-N 262.378 3.631 30 20 CHED Cc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)o1 592988565 KAKFODPLNFWNCK-UHFFFAOYSA-N 267.328 3.827 30 20 CHED CCc1cc(C#N)c(NC(=O)CC2(CSC)CC2)s1 593035702 ABFJQPCHCQIGHC-UHFFFAOYSA-N 294.445 3.654 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N(C)c1ccc(C#N)nc1 593274425 CAUYUWKYHPNSBY-AWEZNQCLSA-N 285.391 3.689 30 20 CHED CC[C@H](CC#N)NC(=O)CCCc1ccc2c(c1)CCCC2 593606008 NGCALECRNIGBMR-GOSISDBHSA-N 298.430 3.697 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCCC1(C)C 593990813 RWGBKHWKKJUVKP-RHSMWYFYSA-N 298.430 3.822 30 20 CHED CCc1cc(C(=O)N[C@@H](C)C#N)sc1-c1ccccc1 594003104 ZJCKURWKSOQGSK-NSHDSACASA-N 284.384 3.619 30 20 CHED C=CCCSCCNCc1cccc2cccnc12 594960379 PFKSJCGJKMWYDY-UHFFFAOYSA-N 272.417 3.634 30 20 CHED C=CCCSCCN[C@H](C)c1ccccc1OC 595059883 QXTWEIKSTWWABX-CYBMUJFWSA-N 265.422 3.655 30 20 CHED N#CCN(Cc1cc(F)ccc1OC(F)F)C1CCCC1 595329393 RKEVWMOEARIEIA-UHFFFAOYSA-N 298.308 3.695 30 20 CHED CCC1(CC)CCN(c2nc(C#N)c(Cl)s2)C1 596166012 WUKRFELWYSKREQ-UHFFFAOYSA-N 269.801 3.685 30 20 CHED N#Cc1cc(-c2ccc(C#N)s2)cc(N2CCCC2)c1 596630640 MVNNDOYXPZEKNQ-UHFFFAOYSA-N 279.368 3.759 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)CC1(C#N)CCCCC1 597165365 KQYJXCWHOFZQNP-OAHLLOKOSA-N 296.414 3.996 30 20 CHED CC1(C)CC(CNC(=O)C(C)(C)C#N)CC(C)(C)C1 598141785 RQPUTZDOGVXFFI-UHFFFAOYSA-N 264.413 3.505 30 20 CHED COC[C@H](C)N(CCCCC#N)[C@H]1CCc2ccccc21 599681469 FHJZZCPVEZZNDW-YJBOKZPZSA-N 286.419 3.705 30 20 CHED Cc1ccc([C@H](C)CN2CCC[C@@](C)(C#N)C2)cc1 600146436 WIWXIYJPZSHNJZ-WBVHZDCISA-N 256.393 3.724 30 20 CHED CC1CC(C#N)(C(=O)N[C@H]2C[C@@H](C(C)C)c3ccccc32)C1 600415985 UGZOWCMTJBLDTC-SEXGHCQPSA-N 296.414 3.927 30 20 CHED CCCc1ccc(C(=O)NCC(C)(C)CCC#N)s1 601581757 PWQMMDWBVHYCCK-UHFFFAOYSA-N 278.421 3.760 30 20 CHED CC(C)[C@H]1CCC[C@H](N[C@H](C)CC2(C#N)CCOCC2)C1 602543332 BFWFQKLZPIPXAH-IKGGRYGDSA-N 292.467 3.890 30 20 CHED CC(C)N(Cc1ccccc1F)CC1(CC#N)CC1 602769033 LTMKMXNEUPJINF-UHFFFAOYSA-N 260.356 3.730 30 20 CHED CC(C)(C#N)CCCn1cc(-c2cccc(Cl)c2)nn1 603261846 VTWSMJCNBOCJDB-UHFFFAOYSA-N 288.782 3.928 30 20 CHED Cc1ccc(SCc2ccccc2C(C)(C)C#N)nn1 603316731 JFIHAKPNACPHHL-UHFFFAOYSA-N 283.400 3.879 30 20 CHED Cc1sc(NC(=O)C(C)(C)C#N)nc1-c1ccccc1 603945601 KWHQTDALWVVMCF-UHFFFAOYSA-N 285.372 3.607 30 20 CHED Cn1ccc2c(N[C@@H](C#N)Cc3ccccc3)cccc21 608889182 QPOAJAKMHWLQBY-OAHLLOKOSA-N 275.355 3.725 30 20 CHED CC[C@H](C#N)NC(=O)c1sc2cc(C)ccc2c1Cl 609169225 AAKNENOYFWUNMN-SECBINFHSA-N 292.791 3.895 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)c1ccco1 610171143 KHRLUPSOJFYCGV-CQSZACIVSA-N 296.370 3.694 30 20 CHED Cc1cccc2c(N(C)Cc3ccoc3)c(C#N)cnc12 610275672 GWYVDFXSKOBLJJ-UHFFFAOYSA-N 277.327 3.644 30 20 CHED Cc1cccc(C2(C(=O)N[C@@H]3CCC[C@@H]3C#N)CCCC2)c1 610498040 FZVRMCQPXQTFLW-NVXWUHKLSA-N 296.414 3.615 30 20 CHED C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)C1CCCC1 610976314 ZUYOSCUHXLRGAK-RHSMWYFYSA-N 284.403 3.974 30 20 CHED C/C(=C/c1ccccc1)CN1CCC[C@@](C)(C#N)C1 612406756 SLZQNHPKUHVTHW-HKBKRHGFSA-N 254.377 3.716 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(F)cc(C)cc1F 613274991 LBDZLBUZCZFOJR-LLVKDONJSA-N 267.319 3.748 30 20 CHED C=CCN(C)C(=O)[C@H](CCC)c1ccc(Cl)cc1 613663876 CZJVFHFLXAOTNR-CQSZACIVSA-N 265.784 3.868 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C)cc2F)C1 617782403 DYKBFDOTHDBTCF-CYBMUJFWSA-N 261.340 3.562 30 20 CHED C=CCC1(NC(=O)c2ccc(Br)o2)CCCC1 619105811 JSBGEZRDGKCHOS-UHFFFAOYSA-N 298.180 3.661 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](CC)Nc1ccccc1 620861362 MYUCTBDEQRAYQC-OAHLLOKOSA-N 274.408 3.738 30 20 CHED C=CCN(C(=O)c1cc(F)c(F)cc1F)C(C)(C)C 622944173 HYWFITMXICHEBY-UHFFFAOYSA-N 271.282 3.531 30 20 CHED C=CCC[C@@H](NC[C@H]1CCCN1CC(F)F)c1ccco1 624096584 CSFCFZVWHHJRAM-ZIAGYGMSSA-N 298.377 3.606 30 20 CHED C=CCOc1c(Cl)cc(CN2CC=CCC2)cc1OC 628234442 AKNWIGJAUMMXIE-UHFFFAOYSA-N 293.794 3.675 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)N(CC)CC2 645289027 ZHGGMYPNIGHCTN-UHFFFAOYSA-N 272.392 3.610 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1ccc(C)s1 663573313 KRHLZCGVCUWQGR-UHFFFAOYSA-N 266.410 3.601 30 20 CHED C=CCC1(NC(=O)N[C@@H]2CCCc3occc32)CCCC1 663680819 UAQQIYQXRYISLC-CQSZACIVSA-N 288.391 3.845 30 20 CHED CC#CCCNC(=O)Nc1cc(C)ccc1C(F)(F)F 667941958 SIPSPQMRTDJWKD-UHFFFAOYSA-N 284.281 3.549 30 20 CHED C#CCN(C(=O)CC(C)(C)C1CC1)C1CCCCC1 688896367 CYJDVMSPSZGMNP-UHFFFAOYSA-N 261.409 3.607 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccccc2COC)c1 726463698 XNUXRWVGHAFFLY-UHFFFAOYSA-N 296.395 3.623 30 20 CHED C#Cc1cccc(NC(=S)NN=C2CCCC[C@@H]2C)c1 727260515 YYUIUDZCEHGGPZ-LBPRGKRZSA-N 285.416 3.520 30 20 CHED C=CC[C@@H](C)C(C)=NNc1nc2ccccc2n1C 727778917 TWPHKGIANUIIFD-LLVKDONJSA-N 256.353 3.573 30 20 CHED C#Cc1cccc(N(C(=O)CC2CCCC2)C(C)C)c1 728247813 ICJMOCMLDLAXMX-UHFFFAOYSA-N 269.388 3.990 30 20 CHED Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1cccs1 728438428 WWSAJLROZBIADL-PLNGDYQASA-N 287.171 3.685 30 20 CHED C#Cc1ccc(C(=O)OCCCC2CCCCC2)cn1 728799436 PYBQDDZECZVNNZ-UHFFFAOYSA-N 271.360 3.580 30 20 CHED C(=NNCCCOc1ccccc1)c1c[nH]c2ccccc12 729148696 DFPKJSSKYUFKHJ-UHFFFAOYSA-N 293.370 3.561 30 20 CHED COc1cccc(/C=N\[C@H]2CCc3ccc(C)cc32)c1O 730147032 JWIWDYXJAFEGRX-YLRSXTQRSA-N 281.355 3.816 30 20 CHED CCCCCCCCCC(=O)N=c1cc[nH]cc1C 730565979 LXOHEGCZXXJPER-UHFFFAOYSA-N 262.397 3.891 30 20 CHED C=CC1CCN(C(=S)N[C@@H](C)c2ccccc2)CC1 731942049 FMUAYUGXMDQGSX-ZDUSSCGKSA-N 274.433 3.520 30 20 CHED N#Cc1cccc(OCCCCC(=O)O[C@H]2C=CCCC2)c1 733495007 IODCFOVWTVEIKF-INIZCTEOSA-N 299.370 3.759 30 20 CHED C=CCN(C(=O)Nc1ccc2oc(CC)nc2c1)C(C)C 735577247 LFERKSIGELBTBB-UHFFFAOYSA-N 287.363 3.819 30 20 CHED Cc1ccc2[nH]cc(C=NNc3ncccc3Cl)c2c1 735612476 LVNSUIWZJRSNLK-UHFFFAOYSA-N 284.750 3.971 30 20 CHED C=C(Cl)CNC(=O)c1sc(-c2ccc(C)o2)nc1C 736240328 LLQFEZDNORDUIM-UHFFFAOYSA-N 296.779 3.502 30 20 CHED CC[C@@H](C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739600484 YTFHYEWYNXULRQ-GFCCVEGCSA-N 298.411 3.949 30 20 CHED COc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1C#N 741842132 FCIHZEZCUWIIJL-GHXNOFRVSA-N 293.297 3.528 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(COC)cc1 742376486 VENZKNHQASTEQV-UHFFFAOYSA-N 299.345 3.596 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(OCC)cc1 742377027 LSMRPQUMZVQXAS-UHFFFAOYSA-N 299.345 3.849 30 20 CHED Cc1cc(C)c(CNCc2cc(C#N)ccc2F)c(C)c1 742381705 DVGGTQGCYFPWGG-UHFFFAOYSA-N 282.362 3.912 30 20 CHED C#CCCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 742784362 PGHKXEOZPMGQFW-UHFFFAOYSA-N 297.329 3.761 30 20 CHED C=CCOc1ccc(OC(=O)c2cccc(F)c2F)cc1 742860625 BCUKYHDJNOBQRM-UHFFFAOYSA-N 290.265 3.749 30 20 CHED C=C(C)CCOC(=O)c1cc(Cl)c2c(c1)OCCCO2 744304593 ZSRVBBBPAIHSMA-UHFFFAOYSA-N 296.750 3.624 30 20 CHED Fc1ccc2c(c1)C(=NOCc1cccnc1)CCS2 746587932 UKXKCRICIQNNQB-UHFFFAOYSA-N 288.347 3.637 30 20 CHED C[C@@H](C#N)OC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 747024057 ISQVWSGPNHTABW-YUMQZZPRSA-N 272.131 3.552 30 20 CHED Fc1ccc2c(c1)C(=NN=c1cc[nH]c3ccccc13)CC2 748787673 FAGKQQBMQPWYLT-UHFFFAOYSA-N 291.329 3.558 30 20 CHED Cc1cccc2ncc(/C=C3\Cc4cc(F)ccc4C3=O)n12 749006356 UBSGWKZLAIFECG-UKTHLTGXSA-N 292.313 3.604 30 20 CHED CCSc1ccccc1OC(=O)c1ccc(C#N)s1 750711789 DKZLIKCTPSNLPU-UHFFFAOYSA-N 289.381 3.951 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 753148036 FHRLXLZZIXWJIH-UWVGGRQHSA-N 299.201 3.765 30 20 CHED C=CCN(C(=O)CCc1cn(C)c2ccccc12)C(C)C 755193511 NGAQVVAZHZRYKI-UHFFFAOYSA-N 284.403 3.534 30 20 CHED Cc1cc(C)nc(NN=CC[C@H](C)c2ccccc2)n1 755457360 ZXZJBAQGZLZAJA-LBPRGKRZSA-N 268.364 3.685 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H]2CCc3ccccc32)n1 755742142 GHYLSDALZSBYPD-LBPRGKRZSA-N 286.766 3.566 30 20 CHED C=CCOc1ccc(OC(=O)C[C@H](OCC)C(=C)C)cc1 755941388 USORDKDFJLVGFS-INIZCTEOSA-N 290.359 3.528 30 20 CHED CN(CCC#N)c1ccc(CNCC23CCC(CC2)C3)cc1 756991022 WYCQQHGFJYFTKG-UHFFFAOYSA-N 297.446 3.706 30 20 CHED CS[C@@H](C)CC(=O)[C@H](C#N)c1ccc2ccccc2n1 757390775 QRPQRNGTNUHFKE-WCQYABFASA-N 284.384 3.553 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cc(F)c(O)c(F)c2)c1 757476821 SZFLSHIZVUCDBG-HYXAFXHYSA-N 290.265 3.581 30 20 CHED N#CCc1ccc(C(=O)O[C@@H]2CCc3ccc(F)cc32)cc1 759896191 QKNNXHKZBQYYCM-QGZVFWFLSA-N 295.313 3.736 30 20 CHED C[C@H](Sc1nccc(C#N)c1[N+](=O)[O-])c1cccs1 760469181 CYAIOVUUTGOSRG-QMMMGPOBSA-N 291.357 3.776 30 20 CHED C#CCCN(Cc1ccccc1)Cc1ccc(OC)cc1 760850518 DIVGVZNOLULGBL-UHFFFAOYSA-N 279.383 3.721 30 20 CHED C=CCCC(=O)COC(=O)/C=C(\CC)c1ccc(C)cc1 761400756 BEVCQFCFIWFMRJ-NTCAYCPXSA-N 286.371 3.867 30 20 CHED C=C[C@@H](Cc1nc(CC2CCOCC2)no1)c1ccccc1 761981758 ZAXDSIYQRGLEBC-HNNXBMFYSA-N 298.386 3.551 30 20 CHED CC#CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 764220319 ZYAUFYIUDGLWJW-QGZVFWFLSA-N 283.758 3.569 30 20 CHED FC(F)(F)CON=Cc1c[nH]c2cc(Cl)ccc12 764839656 LETYFSUTRXEORG-UHFFFAOYSA-N 276.645 3.734 30 20 CHED C#CCCOC(=O)c1ccccc1OCc1cccs1 765473436 KQWGGJSXUGYNDA-UHFFFAOYSA-N 286.352 3.507 30 20 CHED C#CCCCCCC(=O)O[C@H]1CCOc2cc(F)ccc21 766298047 VFUHZSXZJZFBSS-HNNXBMFYSA-N 290.334 3.776 30 20 CHED COc1cc(C#N)ccc1NC(=O)/C=C(\C)c1ccccc1 766642812 DLRWTMCBLRMTJI-JLHYYAGUSA-N 292.338 3.609 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C=C1CCC(C)CC1 767164402 GQAHDAXBRPXVKE-UHFFFAOYSA-N 287.325 3.537 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCc2c[nH]nc2C1 768517028 GZIPDOVOIBOMQB-ZFWWWQNUSA-N 263.429 3.606 30 20 CHED COc1cc(C)ccc1C(=O)OCCCCC(C)(C)C#N 768876050 CCQKPSSFADWTMY-UHFFFAOYSA-N 289.375 3.881 30 20 CHED C=CCCC(=NNc1ccnc(Br)c1)C1CC1 769799296 MEUOCCNRGJJJAA-UHFFFAOYSA-N 294.196 3.988 30 20 CHED C=CC[C@@H](NC(=O)c1ccccc1CC)c1ccncc1 770552526 IFFBPDNGHYFYOA-QGZVFWFLSA-N 280.371 3.691 30 20 CHED COc1cccc(/C=N\[C@@H]2CC23CCCCC3)c1O 770566955 BZARRRDSHVFCGU-RQNDZEIBSA-N 259.349 3.543 30 20 CHED C=C(CC)COC(=O)C[C@@H](C)c1cccc(OC)c1 773522109 JIIUIOPUZSCFRR-CYBMUJFWSA-N 262.349 3.698 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H]1CCCC1(C)C 773969621 BUHUDUHNRLQTMK-ZDUSSCGKSA-N 287.359 3.689 30 20 CHED CCCC(CC)=NNC(=S)Nc1ccc(N(C)C)cc1 776186320 LTSDZNFFYDDVIS-UHFFFAOYSA-N 292.452 3.605 30 20 CHED COc1ccccc1/C(C)=C/C(=O)OCCC(C)(C)C#N 776383476 NABOUMOOVZCYJC-ACCUITESSA-N 287.359 3.582 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(F)cc1N(C)C 777462704 IFSNNYQWLFVADT-UHFFFAOYSA-N 292.276 3.585 30 20 CHED C=CCC[C@H](C(=O)OCCOC(C)C)c1ccccc1 778559804 WAPLANIVLYIYFT-INIZCTEOSA-N 276.376 3.705 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@@H](CCC#N)c1ccccc1 779990240 DPBCVHUNBCNRDH-VUSFMPOISA-N 270.376 3.894 30 20 CHED CC(F)(F)CCC(=O)OCc1ccc(Cl)cc1C#N 780036782 WPBADVONLHHNIT-UHFFFAOYSA-N 287.693 3.690 30 20 CHED CCC(CC)NN=Cc1cccn1Cc1ccccc1C#N 780226959 HXUURMVHXIBIOC-UHFFFAOYSA-N 294.402 3.520 30 20 CHED CC(C)n1cc2c(n1)[C@H](NCC(C)(C)CCC#N)CCC2 780763655 BIYCXERRZRPBBZ-OAHLLOKOSA-N 288.439 3.761 30 20 CHED Fc1cc(NN=Cc2nc(-c3ccccc3)cs2)ccn1 781130345 SABKGJNVUHBIQL-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Cc1cc(COC(=O)/C=C/c2cccc(F)c2)ccc1C#N 782030934 LIYHBICBPUGVGP-SOFGYWHQSA-N 295.313 3.762 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2nc(O)c3ccccc3n2)C1 783854815 CJDCAWCXIRUWRV-STQMWFEESA-N 298.390 3.950 30 20 CHED CCCCS[C@H](C)C(=O)O[C@@H](C#N)C1CCCCC1 785755157 SLTRGDRTVJGFFY-OCCSQVGLSA-N 283.437 3.924 30 20 CHED CC(=NNC1CCCCC1)c1ccc2ccccc2n1 786039536 DMIPEPAHBVLTLD-UHFFFAOYSA-N 267.376 3.881 30 20 CHED C[C@@H](CC(=O)O[C@H](C#N)C1CC1)c1c[nH]c2ccccc12 786434817 BNPAKXCCAAYMPL-MEDUHNTESA-N 282.343 3.507 30 20 CHED C=CCCN(C)CC(=O)Nc1ccc(-c2ccccc2)cc1 786446139 RTLLFSMXUOJKPM-UHFFFAOYSA-N 294.398 3.800 30 20 CHED CC(C)(C)OCCCCON=C1CCOc2ccccc21 788785091 DALDWPMJAAPWGI-UHFFFAOYSA-N 291.391 3.785 30 20 CHED CC[C@H](C)NN=C(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C 790191495 ZEWHPBHHJSLAOZ-JSGCOSHPSA-N 297.443 3.540 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)nc1 792302607 SRROFUCVUJSDNJ-JTQLQIEISA-N 289.741 3.597 30 20 CHED CC(C)OCCON=C[C@@H](OC(C)C)c1ccccc1 793055925 PSIVNPDDLJREFK-MRXNPFEDSA-N 279.380 3.580 30 20 CHED C=CCCCCC[C@@H](C)NC1CCN(CC2CC2)CC1 793526294 XROAAFFPGIHGLI-MRXNPFEDSA-N 278.484 3.975 30 20 CHED C[C@@H]1CSC[C@H]1/N=C\c1c(O)ccc2ccccc12 794675500 COWVMSNQKYUXAV-SPECWMITSA-N 271.385 3.716 30 20 CHED N#CCCCC[S@](=O)[C@@H]1CCc2cc(Cl)ccc21 794786907 GWOCMHLPOJZJDA-KDOFPFPSSA-N 281.808 3.770 30 20 CHED CCC[C@](C)(CC)C(=O)OCC(=O)c1cccc(C#N)c1 796333749 VCOQHAHXPVQKCI-KRWDZBQOSA-N 287.359 3.501 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C(/C)c1ccccc1OC 798554350 OPVCHMUXFUSOSM-WUFNSSIPSA-N 273.376 3.569 30 20 CHED CCC1(C)CCN(C(=O)c2ccc(C)c(C#N)c2)CC1 799598184 OCEMZRIMILTUSX-UHFFFAOYSA-N 270.376 3.519 30 20 CHED Cc1cc(C(=O)/C=C\c2c(F)ccc(O)c2F)oc1C 799894635 ABIGCKZYQSWKIL-HYXAFXHYSA-N 278.254 3.776 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC[C@@H]1CCCF 800803314 DNIWPNZGPJLEGV-LLVKDONJSA-N 279.315 3.913 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cn(C)c(C)n1 800815619 HSXGXCUGGBLDQY-UHFFFAOYSA-N 284.407 3.862 30 20 CHED C=C[C@H](CC(=O)OCC1CCC(=O)CC1)c1ccccc1 803410906 ABKJZRGAHKGJGW-OAHLLOKOSA-N 286.371 3.649 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1cc(C)cc(F)c1 806358299 QERSULPKRGSROL-UHFFFAOYSA-N 296.345 3.801 30 20 CHED C#C[C@H](NC(=O)C[C@H](C)c1ccccc1C)C(C)(C)C 807881916 FUHDJOJWEVXXMD-HOCLYGCPSA-N 271.404 3.653 30 20 CHED CCOc1cccc2cc(C(=O)/C=C\c3cnccn3)oc12 809153111 NIVAOVNGPNLFBH-SREVYHEPSA-N 294.310 3.518 30 20 CHED CC(C)CCOc1ccc(C(=O)/C=C/c2cnccn2)cc1 809153567 XVJIGKSMCNYPIS-VMPITWQZSA-N 296.370 3.798 30 20 CHED C#Cc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 809627790 GYHVBFUAGZZXAN-LJQANCHMSA-N 274.367 3.803 30 20 CHED C#CCN(Cc1ccccc1)Cc1nccc2ccccc12 809717451 IEPMSFPXPIJGMN-UHFFFAOYSA-N 286.378 3.870 30 20 CHED CC(=NOC/C=C\Cl)c1c(Cl)nc2sccn12 811669576 QSAWJJXJKNKEIY-NVSQZKJESA-N 290.175 3.542 30 20 CHED N#Cc1c(F)cccc1/C=C1\Cc2c(F)cc(F)cc2C1=O 811694350 VOFRNTVRTLAGMR-ONNFQVAWSA-N 299.251 3.798 30 20 CHED CCC(=NNc1ccc(F)cc1F)c1ccco1 814686647 UTDUXPSOYCFLHW-UHFFFAOYSA-N 250.248 3.784 30 20 CHED Clc1ccccc1NN=Cc1nc2c(s1)CCC2 814691391 ZBXFLGGRWFQFAE-UHFFFAOYSA-N 277.780 3.731 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(Cl)c(N)c1 814814985 IACDOVNRXVNGKZ-LLVKDONJSA-N 287.794 3.997 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNCCCOc1ccccc1 814838726 ZJDXBXGHAPJFNY-INIZCTEOSA-N 299.418 3.751 30 20 CHED Cc1ccc(NN=C2CC[C@H](Cc3ccccc3)C2)nn1 814841031 YPDGPXBGLRJAFG-OAHLLOKOSA-N 280.375 3.596 30 20 CHED C[C@H]1CC(=NNc2c(F)cccc2Cl)CC[C@H]1C(=O)O 814904868 CBAFLEFCNFUMGE-WCBMZHEXSA-N 298.745 3.768 30 20 CHED C[C@@H]1C(=NOC2CCCCC2)CC[C@H](C(=O)O)C1(C)C 814910141 QYGZPMHLKKNQDF-DGCLKSJQSA-N 281.396 3.849 30 20 CHED CCN(C(=O)c1ncc(C#N)cc1C)c1ccc(C)cc1C 815074157 KJPPNOFPZPIROF-UHFFFAOYSA-N 293.370 3.545 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2sc(C)nc2c1 816033036 YITQIJVBXWEKQE-UHFFFAOYSA-N 282.315 3.755 30 20 CHED C#CCCCC(=O)NC1(Cc2ccc(Cl)cc2)CCC1 816811335 VYEKMDFRHZAYMU-UHFFFAOYSA-N 289.806 3.725 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1cccc(C2CC2)c1 817342680 FLQIALCBOAZYTN-RMKNXTFCSA-N 266.344 3.502 30 20 CHED C#Cc1cccc(NC(=O)CSCc2cccc(C)c2)c1 817842548 OCZOTIZTNZRVHG-UHFFFAOYSA-N 295.407 3.848 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1cc(C)cc(C)c1 819814930 IRSVLNLXOKVDTH-AWEZNQCLSA-N 267.376 3.773 30 20 CHED C#C[C@H](NC(=O)Nc1ccc2occ(C)c2c1)C(C)C 821566334 ZMPADJMDDMRWOW-AWEZNQCLSA-N 270.332 3.521 30 20 CHED C#CC1CCN(Cc2cc(Cl)cc3cccnc23)CC1 830321614 UBMPXJLKGJDHJR-UHFFFAOYSA-N 284.790 3.733 30 20 CHED Cn1c(Cl)cnc1/C=C1\C(=O)c2cccc3c2[C@H]1CCC3 834434778 STSDCUREMHFEMF-LFTLCWSBSA-N 298.773 3.773 30 20 CHED CCC(=NNc1nncc2ccccc12)C1CCC1 834921373 TXVVVRVKRWAIFZ-UHFFFAOYSA-N 254.337 3.608 30 20 CHED FC(F)CON=Cc1cnc(CCc2ccccc2)s1 834969849 WXXPBDWUGRYCQM-UHFFFAOYSA-N 296.342 3.544 30 20 CHED CC(C)C[C@H](C)CC(=O)O[C@H]1CCC[C@H](C#N)C1 839051875 OVPMTKMVKIDUCX-IHRRRGAJSA-N 251.370 3.684 30 20 CHED C=C(Cl)CSCc1cnc2c(cnn2C(C)C)c1 842188686 NKJKJSNEGMLCCQ-UHFFFAOYSA-N 281.812 3.998 30 20 CHED FC1(F)CCC(=NNC(=S)Nc2ccccc2)CC1 842521745 IBYFCOAAZQQASG-UHFFFAOYSA-N 283.347 3.538 30 20 CHED Cc1c(NN=C2CCCCCC2)cccc1C(=O)O 844627762 QPTQHRNSDWRFHS-UHFFFAOYSA-N 260.337 3.815 30 20 CHED C[C@H](CC#N)OC(=O)c1cccc(SC(F)(F)F)c1 850843156 RFAYGAVSQYWYKI-MRVPVSSYSA-N 289.278 3.757 30 20 CHED C#Cc1cccnc1N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 853478646 URGUOBLREMUVMY-DLBZAZTESA-N 296.345 3.534 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1ccccc1OC 853783986 SWSZBABMLUXVGG-SNVBAGLBSA-N 285.796 3.508 30 20 CHED CCCc1ccc(/C=C2\CCc3c(cnn3C)C2=O)s1 857201593 CZCDYRWEQADBOU-PKNBQFBNSA-N 286.400 3.647 30 20 CHED C[C@@H]1CCC(=NNc2ncc(Cl)cn2)c2ccccc21 857221328 ZEJZWSMKRCOHFJ-SNVBAGLBSA-N 286.766 3.844 30 20 CHED CCCOc1ccc(NCc2ccc(C#N)o2)cc1OC 858344004 PTSICOBWYLRRAF-UHFFFAOYSA-N 286.331 3.561 30 20 CHED C=C(C)C[C@@H](NCc1cc(Cl)cc(Cl)c1)C(=O)O 864530274 UWULYHUYBAMKJP-GFCCVEGCSA-N 288.174 3.502 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(F)c(F)c(F)c1F 880682814 RJHOSBCSMBXPEW-UHFFFAOYSA-N 290.260 3.673 30 20 CHED C=C1CC(c2noc(CNc3ccccc3Cl)n2)C1 896883365 CQDCQSLYAWVTNM-UHFFFAOYSA-N 275.739 3.769 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1c1ncccn1 898959927 MCGCOHSHKXQBBW-CQSZACIVSA-N 275.396 3.501 30 20 CHED N#CC1(CCCC[S@](=O)c2ccccc2)CCC1 899275875 JGSOJFYODLJQKC-SFHVURJKSA-N 261.390 3.658 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1cccc(CN(C)C)c1 899379590 ZSUBDKKDSZSGIR-MDZDMXLPSA-N 298.386 3.503 30 20 CHED N#CC1(CCCCn2ccc(=O)c3ccccc32)CCC1 902714219 MQEWMPPBHGHFEO-UHFFFAOYSA-N 280.371 3.866 30 20 CHED Cc1n[nH]cc1C=NNc1cc(C)c2cc(Cl)ccc2n1 915956427 SUSRRGWENYXUII-UHFFFAOYSA-N 299.765 3.674 30 20 CHED CCCNN=C(C)c1cc2cc(Cl)ccc2o1 915965482 JWCCRDCLKHRXIY-UHFFFAOYSA-N 250.729 3.810 30 20 CHED CC(C)Oc1ccccc1C=NNc1ccc(C(=O)O)cc1 916240334 FLJMNAIOWUTWKA-UHFFFAOYSA-N 298.342 3.618 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc3ccccc3c2)c1 916255276 NZKBCNKHFJSCGQ-UHFFFAOYSA-N 290.322 3.984 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 916268036 FYQLRFFZFUWHHQ-UHFFFAOYSA-N 273.267 3.570 30 20 CHED Cc1cc(C=NNc2cccc3c2CCCC3)c(C)[nH]1 917552520 JQYPEMMHBOFZKJ-UHFFFAOYSA-N 267.376 3.956 30 20 CHED CCCCCCCCCC(=O)N1CCC(CN(C)C)CC1 918695505 JSDINWHKJBXMES-UHFFFAOYSA-N 296.499 3.927 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1\Cc2ccccc2C1=O 918749215 PZPUTUGWNZPEKR-FMIVXFBMSA-N 266.344 3.530 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 920241564 SBEREJLKYCEPOF-MVTUOISNSA-N 292.334 3.910 30 20 CHED CCN(CC)c1ccc(C=Nc2ccccc2OC)c(O)c1 920943546 MIPBYSJMWCAXTG-UHFFFAOYSA-N 298.386 3.998 30 20 CHED C[C@@H](CN[C@H](C)CC(C)(C)C#N)Oc1ccccc1F 925156742 LKXNSBOVPKFICW-OLZOCXBDSA-N 278.371 3.511 30 20 CHED C#CCCCCN[C@@H](c1ccc(C)cc1)c1ccccn1 925525358 AKAMRNUMFIKSQA-IBGZPJMESA-N 278.399 3.873 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(c3cccc(F)c3)CCC2)C1 926921424 DWFWYIIZTUAEIP-CJNGLKHVSA-N 272.367 3.529 30 20 CHED C[C@@H]1CN(C(=O)Nc2sccc2C#N)CC(C)(C)C1 931836850 BQVCJTGPQVPPJY-JTQLQIEISA-N 277.393 3.520 30 20 CHED N#C[C@@H]1CCCN(Cc2nc(C3CCCCC3)cs2)C1 932148551 PRWRXPACZVZNDI-ZDUSSCGKSA-N 289.448 3.926 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1cccc(C)n1 934893126 LUYUBIISRONBPI-ZBFHGGJFSA-N 272.392 3.656 30 20 CHED CSc1ccc(N(C)C(=O)CC#Cc2ccccc2)cc1 1116270143 FUFGUWDVGDNEOU-UHFFFAOYSA-N 295.407 3.813 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2cccc(CC#N)n2)C1 1116636267 IUUINAJRSVWTSD-LJQANCHMSA-N 291.398 3.706 30 20 CHED C[C@@H](c1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 1117214444 SDWGAYODUNZJMT-LLVKDONJSA-N 267.332 3.902 30 20 CHED C=C(C)CCC(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 1122900210 PFUFDSBFLXZJKA-NSHDSACASA-N 276.405 3.973 30 20 CHED C=C[C@H](C(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 1123634244 IBNGTRVFSCBUKK-DLBZAZTESA-N 282.387 3.545 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CC2CCC1CC2 1125262819 AOTDDAJLPUBLPS-ZALBZXLWSA-N 299.418 3.880 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1125640164 ZNQFANANSHUHCA-BXUZGUMPSA-N 290.794 3.768 30 20 CHED CSc1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)n1 1127021888 JQHMDQHRAKCVSZ-LLVKDONJSA-N 298.367 3.593 30 20 CHED CC1(C)C[C@]1(NC(=O)c1sccc1C#N)c1ccccc1 1131463776 NLUBFXIYWKZEGB-KRWDZBQOSA-N 296.395 3.675 30 20 CHED N#Cc1ccc(S[C@@H](C(=O)C2CC2)c2ccccc2)nc1 1188612678 RJSIOAVZSAGSTG-QGZVFWFLSA-N 294.379 3.766 30 20 CHED CSc1ccccc1C(C)=NNc1cc(C)nc(C)n1 1256574429 AJYFAZMQPFWHPD-UHFFFAOYSA-N 286.404 3.651 30 20 CHED CC(C)[C@]1(C)C[C@@H]1c1nnc(COc2ccc(C#N)cc2)o1 1261572800 ZEKDQYVXXHBNIT-PBHICJAKSA-N 297.358 3.670 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2sccc2C#N)C1 1262307695 RUVOLEBBVMMQMN-GFCCVEGCSA-N 277.393 3.520 30 20 CHED 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C=CCCCNC(=O)c1sc2ccc(C#N)cc2c1C 509518920 YSCNQLWUYSAFLX-UHFFFAOYSA-N 284.384 3.777 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCN(C)c2ccc(F)cc21 187949263 NKQZPWLHUUYVOT-KRWDZBQOSA-N 290.382 3.601 30 20 CHED C=CCC[C@@H](NC(=O)C[C@@H]1CCCCO1)c1ccccc1 133797384 ZXAXIPKHMKNMAS-DLBZAZTESA-N 287.403 3.769 30 20 CHED C[C@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)o1 185085604 LHVNIZDOLVDOAW-SCLBCKFNSA-N 280.371 3.955 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H](C)C1 505151096 NLLVEZCFYINVPB-DOTOQJQBSA-N 286.419 3.963 30 20 CHED CC[C@@H](NCC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 414162449 HARXFZDWADKWLP-BRSBDYLESA-N 284.403 3.557 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1 132672720 OQSPATQHHMWXOX-UHFFFAOYSA-N 294.354 3.988 30 20 CHED Cc1cscc1C(=O)Nc1ccc(C#N)cc1Cl 226348705 IOTQJCSYEGUUBY-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](CC)[C@@H]1CCOC1 414297293 HECFKBCPYAMTBM-KZNAEPCWSA-N 273.420 3.579 30 20 CHED N#Cc1sc(NC[C@@H]2CCCC(F)(F)C2)nc1Cl 286301678 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YWUTVQFNTPXCQV-UHFFFAOYSA-N 266.335 3.727 30 20 CHED CCc1ccccc1CNc1nc2c(cc1C#N)CCC2 84203512 HNBCQLASVMAIRO-UHFFFAOYSA-N 277.371 3.616 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn(C2CCCC2)c1C 192709798 BXDUNNHQVBEXCS-INIZCTEOSA-N 275.396 3.847 30 20 CHED C[C@H]1CCN(CC#Cc2cccc(Cl)c2)CCS1 192170780 COIJINZLTXAXEH-ZDUSSCGKSA-N 279.836 3.519 30 20 CHED C=C[C@H](CC(=O)NCC1(SC)CCC1)c1ccccc1 194490736 CYTBDRVQYWAROB-CQSZACIVSA-N 289.444 3.748 30 20 CHED Cc1ccc(C(C)(C)/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2)cn1 329770636 GEKNWOYDUPKACV-DGCLKSJQSA-N 288.391 3.587 30 20 CHED Cc1cc(C#N)ccc1CN(Cc1ccco1)C(C)C 614396796 PHVDTXHIVKTWCD-UHFFFAOYSA-N 268.360 3.870 30 20 CHED CN(c1ncc(C#N)cc1Cl)[C@@H]1CCc2ccccc2C1 511652784 HQVNIHLJRIRDOO-OAHLLOKOSA-N 297.789 3.600 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCCOc3cc4c(cc32)CCC4)C1 424327559 MVUSMACNLLMPKI-RPVQJOFSSA-N 296.414 3.671 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCCc2c(O)cccc21 190991391 UVSMWZRNCYYOJA-XJKSGUPXSA-N 287.403 3.673 30 20 CHED C=CCOCCCc1nc(CCC2CCCCC2)no1 517634889 QGQVTLQFGGUFIG-UHFFFAOYSA-N 278.396 3.718 30 20 CHED C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(-n2cccn2)c1 192920877 DJBXLLXUYBXDQK-HLLBOEOZSA-N 294.402 3.605 30 20 CHED C=C(CNC(=O)N1CC[C@@H](C)[C@@H]1CC)c1ccccc1 512672667 LTPOXJNTQVWNRR-CJNGLKHVSA-N 272.392 3.530 30 20 CHED CCS[C@@H]1CCC[C@@H]1/N=C(/O)c1c(CC)noc1C 331157155 ZBBGTTHCYGPUIY-NWDGAFQWSA-N 282.409 3.524 30 20 CHED C=CCC[C@H](NCCSCC=C)c1ccco1 513690557 KRCDCRDUIUSHDW-ZDUSSCGKSA-N 251.395 3.796 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2cc(C#N)cs2)c1 83942578 TWZJPBXKZNWMBL-NSHDSACASA-N 271.341 3.846 30 20 CHED CC(C)COCCSCc1cccc(F)c1C#N 427700816 FBQWWAMBNIKFPT-UHFFFAOYSA-N 267.369 3.603 30 20 CHED N#Cc1cccc(Oc2ccc(F)cc2Br)n1 81595157 ZFCUWMSSKVDOSY-UHFFFAOYSA-N 293.095 3.647 30 20 CHED CCc1nc(/C(O)=N/[C@H](C)CC2CCCCC2)co1 331098775 DUZWPUOSUPICAJ-LLVKDONJSA-N 264.369 3.901 30 20 CHED Cc1cc(C(=O)N2CCC(CCC#N)CC2)cc(C)c1F 335500905 NOBJOKXRBKSDJJ-UHFFFAOYSA-N 288.366 3.599 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 424717525 WMJFSVGKIHABLB-GDBMZVCRSA-N 271.404 3.993 30 20 CHED CC[C@@H](C)[C@@H](C)N(Cc1ccc(C#N)cc1)C1CC1 513454152 CTGNGIJTWKFTFH-ZIAGYGMSSA-N 256.393 3.957 30 20 CHED Cc1cscc1NC(=O)C1(c2cccc(C#N)c2)CC1 335701002 BRYCXSHOHUWBLQ-UHFFFAOYSA-N 282.368 3.599 30 20 CHED N=C(O)C1(C/N=C(/O)Nc2cccc(Cl)c2)CCCC1 330808075 NHTOCQCXCLOAJH-UHFFFAOYSA-N 295.770 3.762 30 20 CHED Cc1ccnc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 334903175 CAPDYJPKLSOZSV-KDOFPFPSSA-N 291.398 3.990 30 20 CHED C#C[C@](C)(CC)NC(=O)c1cc(Cl)sc1Cl 384219944 RYPKRWZPGYNHIS-LLVKDONJSA-N 276.188 3.587 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(OC)c(C)c1 424645585 OMAGXDOCKNWCIO-UHFFFAOYSA-N 275.392 3.564 30 20 CHED C=CC[C@@H](C)NC/C(C)=C/c1ccccc1COC 511082828 VHZQOVBEFJTLQS-ATGUSINASA-N 259.393 3.791 30 20 CHED Cc1ccc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)o1 96248595 VEDIVLPACCEESG-WAYWQWQTSA-N 286.356 3.810 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 336245479 FXWKXHIUCRDHPO-BMLIUANNSA-N 297.358 3.614 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 424664055 OGKFFGMTDSXTEM-HHXXYDBFSA-N 298.430 3.844 30 20 CHED Cc1oc2ccccc2c1C(=O)N1CCC(CCC#N)CC1 335500420 DZXWGQQUTBMIQL-UHFFFAOYSA-N 296.370 3.897 30 20 CHED COC(=O)CC1(C/N=C(/O)C2=CCCCC2)CCCCC1 330892171 DANNTKKUERBCRO-UHFFFAOYSA-N 293.407 3.957 30 20 CHED CCS[C@H]1CC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 437579541 PUGPBYHCBJKLTQ-IRXDYDNUSA-N 291.435 3.783 30 20 CHED N#Cc1ccc(/C=C\c2csc(Br)c2)nc1 339182462 XQFWSCZGVJCINB-IWQZZHSRSA-N 291.173 3.948 30 20 CHED CC(C)(C)[C@@H]1CCN(Cc2cc(F)ccc2C#N)C1 230142221 DFNWSJSMDCCUSU-CQSZACIVSA-N 260.356 3.565 30 20 CHED CC[C@H](/N=C(/O)c1cc[nH]c1C(C)C)C1CCOCC1 330611202 OOEAQXRMXJAFLI-AWEZNQCLSA-N 278.396 3.648 30 20 CHED C/C(=C/c1ccccc1)CN(CC#N)C1CCCC1 93563295 ZCQCDEQYRXRAEP-SQFISAMPSA-N 254.377 3.858 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCC2CCC(F)(F)CC2)c1 336989098 JPGVLRLFSNDBLJ-UHFFFAOYSA-N 295.289 3.704 30 20 CHED C=C(C)CN(C)Cc1csc(C2CCCC2)n1 181292104 ASAJKMPNFVZLBS-UHFFFAOYSA-N 250.411 3.809 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1cc(F)ccc1F 436302853 ACDSAKWPGHJYHB-DQYPLSBCSA-N 295.373 3.987 30 20 CHED N#Cc1ccnc(N[C@H]2CC[C@H](c3ccccc3F)C2)c1 343035960 XBNBLERZOJCNFF-KBPBESRZSA-N 281.334 3.841 30 20 CHED N#CC1(CN2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)CC1 343312772 CVILAVXVHLMZAG-CAOSSQGBSA-N 258.409 3.581 30 20 CHED CC(C)c1nnc(CNc2c(Cl)cccc2C#N)s1 343903239 XZOXTKCNSJPEQC-UHFFFAOYSA-N 292.795 3.799 30 20 CHED COc1cc([C@@H](C)NCCCCC#N)ccc1OC(C)C 341645458 SFPDQYIZMOMDDI-CQSZACIVSA-N 290.407 3.827 30 20 CHED CC(C)(C)CCCC(=O)NCC(C)(C)CCC#N 345904703 KKIOXKXWOBFJBQ-UHFFFAOYSA-N 252.402 3.649 30 20 CHED N#Cc1cc(NCCCc2c[nH]c3ccc(F)cc23)ccn1 343082599 WSBIHQHPBINSGE-UHFFFAOYSA-N 294.333 3.618 30 20 CHED N#CCCCCN[C@H](c1ccc(F)cc1)c1cccnc1 346547940 CBUDDKNYDSBOPI-QGZVFWFLSA-N 283.350 3.594 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccccc2)C(F)F)c1F 433070665 HAXZQCMSSQHWFX-HNNXBMFYSA-N 290.288 3.793 30 20 CHED N#Cc1ccc(CN2CCc3ccc(C#N)cc32)c(Cl)c1 433267133 CRRZKPVQBVOEOB-UHFFFAOYSA-N 293.757 3.646 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCC1(CC#N)CC1 430187263 QFFDPXPMOASUGR-UONOGXRCSA-N 291.439 3.584 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@@H](C)Cc1ccc(OC)cc1 602442194 UCNKQPJYCDHAEY-HOTGVXAUSA-N 288.435 3.888 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1Cc1cccc(C#N)c1 522467196 ATVPMKVGWZDQRN-KXBFYZLASA-N 276.383 3.936 30 20 CHED C[C@@H]1CC[C@H](Nc2c(C#N)nnc3ccccc23)C[C@H]1C 251989704 ZGALWLXONWBILC-UPJWGTAASA-N 280.375 3.738 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1CC1(CC#N)CC1 602776635 AFVLFKJPNVJMCY-GOEBONIOSA-N 254.377 3.558 30 20 CHED CCOc1cccc([C@H](C)NC[C@@H](C)CCC#N)c1 602530152 DWVAYWNDJHDYAV-KBPBESRZSA-N 260.381 3.676 30 20 CHED C=CCN=c1[nH]c(-c2cc(C)n(CCC)c2C)cs1 340605261 YXAPFZWXANHJHX-UHFFFAOYSA-N 275.421 3.658 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(CC2(C#N)CC2)C1 343312418 BKGCHBGDHJKDNY-WFASDCNBSA-N 258.340 3.512 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N(CCC#N)C(C)C 609701701 VWNLWXJUYIQGER-HNNXBMFYSA-N 272.392 3.639 30 20 CHED CC(C)CC(C)(C)CN[C@@H](C)CC1(C#N)CCOCC1 602571119 DVLSYIUEUFYRQB-HNNXBMFYSA-N 280.456 3.747 30 20 CHED CCCn1ncc(NC2CCC(C#N)CC2)c1C1CC1 602675969 BKOXXTASHNEEHJ-UHFFFAOYSA-N 272.396 3.665 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(CS(=O)(=O)CC)cc1 449771163 FIVYDIDVHMJGKP-UONOGXRCSA-N 295.448 3.634 30 20 CHED C=CCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 525329240 OATTZVSYPOEOKR-CQSZACIVSA-N 286.202 3.943 30 20 CHED C[C@@H]1C[C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)CCO1 356793964 LUSCEKIOZUVMMZ-MNOVXSKESA-N 298.308 3.804 30 20 CHED CCc1ccccc1NCc1cn2ccccc2c1C#N 446620804 SLCPNAUVNKSJST-UHFFFAOYSA-N 275.355 3.985 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC(C)(C)C 532356164 MKCUWBAUNRWQMN-UHFFFAOYSA-N 287.407 3.524 30 20 CHED C=CCCC1(C(=O)N2CCC(OC3CCCC3)CC2)CC1 355423693 LXHFTKHEGITFGW-UHFFFAOYSA-N 291.435 3.683 30 20 CHED COC(=O)c1cccc(CSC2CCCC2)c1C#N 535160172 ARLRCAFHXCFLIV-UHFFFAOYSA-N 275.373 3.521 30 20 CHED C=CCCNC(=O)CCCOc1cccc2ccccc12 617614732 LUXSENCBUWFGNL-UHFFFAOYSA-N 283.371 3.691 30 20 CHED N#CC[C@H](CC(=O)Nc1ccsc1)c1ccccc1 356114687 HHFGFEHHHXRHJA-CYBMUJFWSA-N 270.357 3.774 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccc(C)o1 352376374 OEZJOYKUUGCDQP-UHFFFAOYSA-N 271.360 3.785 30 20 CHED C=CC(C)(C)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 449484803 JGEAXLXIYAERBX-LCYFTJDESA-N 274.364 3.800 30 20 CHED C[C@H]1C[C@H](CC(=O)Nc2cc(CC#N)ccn2)CC(C)(C)C1 531670191 RZNYBMILVQJNQJ-DZGCQCFKSA-N 299.418 3.939 30 20 CHED Cc1cc(CN2CCC[C@](C)(C#N)C2)c2ccccc2n1 612163083 NZMCSIHABVJJCH-GOSISDBHSA-N 279.387 3.669 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(C2(C#N)CCCC2)n1 356582513 SFXGNYBTGIZBPT-VXGBXAGGSA-N 259.353 3.699 30 20 CHED CC[C@@H](CC#N)NCc1cnc(-c2ccsc2)s1 358293471 XAHFJWGIWYWQLL-NSHDSACASA-N 277.418 3.653 30 20 CHED Cc1cc2occ(C(=O)N3CCC[C@](C)(C#N)C3)c2cc1C 613811517 ACQVQLYFZQHASU-GOSISDBHSA-N 296.370 3.816 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cc(C)[nH]c1C 615971898 YHPZSHNSMLRQIO-UHFFFAOYSA-N 286.350 3.599 30 20 CHED N#Cc1c(NC(=O)CCC2CC2)sc2c1CCCC2 265133887 KMPMGVVKIZIMEL-UHFFFAOYSA-N 274.389 3.627 30 20 CHED C[C@@]1(NCc2ccccc2C#N)CCCc2ccccc21 539807711 ATBVHPNRKIMICM-LJQANCHMSA-N 276.383 3.900 30 20 CHED COc1cc(C)c([C@H](C)N2CCC[C@](C)(C#N)C2)cc1C 614963956 PEVXBQIUXDDTNE-MAUKXSAKSA-N 286.419 3.999 30 20 CHED C=C(C)CN(CC)C(=O)NCCCc1ccc(C)cc1C 611738313 JMIYWKAIZDASCO-UHFFFAOYSA-N 288.435 3.844 30 20 CHED C=CCCOCCCCC(=O)N[C@@]1(C)CCCC[C@@H]1C 457268744 SAOGSXZUAXHGDK-RDJZCZTQSA-N 281.440 3.834 30 20 CHED C=CCCc1noc(-c2csc(Br)c2C)n1 453238616 QTQWGOJTCFHFOF-UHFFFAOYSA-N 299.193 3.988 30 20 CHED CCc1c(N[C@@H]2CCC[C@H](C#N)C2)cnn1CC(C)C 613255907 UEMXQJDGWMRYNL-UONOGXRCSA-N 274.412 3.596 30 20 CHED CC(C)N(CCC#N)C(=O)c1cccc(C2CCC2)c1 547387025 PNWGBIWGSOFPHJ-UHFFFAOYSA-N 270.376 3.718 30 20 CHED C=CCCC1(C(=O)Nc2ccc(N(C)C)cc2C)CC1 361572391 SIAFTEFWYVOQMD-UHFFFAOYSA-N 272.392 3.746 30 20 CHED N#CC1(CN(Cc2ccco2)c2ccccc2)CCC1 450565525 UFUXFWUYUCIEEP-UHFFFAOYSA-N 266.344 3.980 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](CC)c1cccs1 455371924 UFFQGUSGMNRULZ-NSHDSACASA-N 266.410 3.711 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)CCCC1 619111467 YYGSTYHHJVKYDX-HOTGVXAUSA-N 293.451 3.833 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 456829999 PWICTWWONNUXIN-ZOBORPQBSA-N 273.376 3.589 30 20 CHED C[C@@H](NCCCC#N)c1ccc(-c2ccccc2)o1 273282759 QPYAFPQNZZFNMW-CYBMUJFWSA-N 254.333 3.901 30 20 CHED C=CCn1c(C)nnc1S[C@H]1C=CCCCCC1 549621179 MKRUMJXYJURAIJ-ZDUSSCGKSA-N 263.410 3.754 30 20 CHED C#CCCCSc1nnc(-c2cccc(Cl)c2)n1C 270875740 NJMCMGRODIXXGF-UHFFFAOYSA-N 291.807 3.641 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)CCCC1 451722382 ZZOBCNLESWHAAJ-CYBMUJFWSA-N 297.402 3.877 30 20 CHED C#CCCCSc1nnc(-c2cccs2)n1C1CC1 270918189 YPBGKJIXPXINTB-UHFFFAOYSA-N 289.429 3.847 30 20 CHED C=C(CC)CNC(=O)CCc1ccc2ccccc2c1O 456857723 SOYIFRWLCITCBI-UHFFFAOYSA-N 283.371 3.560 30 20 CHED CC(C)CCOc1ccc(NC(=O)NCCCC#N)cc1 273182302 FIVQYZNDYMTDRQ-UHFFFAOYSA-N 289.379 3.537 30 20 CHED N#CCCCC(=O)N1CCC(=Cc2cccc(F)c2)CC1 360022903 INKPAQMGVMFXEQ-UHFFFAOYSA-N 286.350 3.525 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)CCCC1 628402804 SCIWJOMJLBYDTP-CHWSQXEVSA-N 285.378 3.873 30 20 CHED CCC(CC)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 279078042 AAQWBPZEFIJDGF-UHFFFAOYSA-N 272.392 3.731 30 20 CHED C=CC[C@@H](C(=O)NCCCC(F)(F)F)c1ccccc1 274996795 CGVFPHKMWAOLGM-CYBMUJFWSA-N 285.309 3.805 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C[C@@H](C)CC)cc1 277262930 NNXIGKHBMIVIPR-AWEZNQCLSA-N 288.391 3.768 30 20 CHED N#CCC1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 541920821 OZVMJMPDDNFMBC-UHFFFAOYSA-N 298.308 3.553 30 20 CHED C=CCOc1ccc(OCCOc2cccc(C#N)c2)cc1 543875612 FAHGTAMCZRQZAU-UHFFFAOYSA-N 295.338 3.581 30 20 CHED Cc1ccnc(N[C@H]2CCOC3(CCCCC3)C2)c1C#N 273396042 VQZWXOOJRHYGCL-AWEZNQCLSA-N 285.391 3.556 30 20 CHED C[C@@H]1C[C@@H](CCNc2ccc(Cl)cc2C#N)CCO1 543210354 RVGGLINXNWDJFG-NEPJUHHUSA-N 278.783 3.829 30 20 CHED C=CCOc1ccc(OCc2ccccc2[N+](=O)[O-])cc1 462653294 FQOWJDXZWAQNJJ-UHFFFAOYSA-N 285.299 3.739 30 20 CHED Cc1ccnc(N2CCC(c3ccccc3F)CC2)c1C#N 543137595 XSCDQZRRHWMBPD-UHFFFAOYSA-N 295.361 3.785 30 20 CHED CC[C@@H](Nc1cc(C#N)ccn1)c1ccc(OC)c(OC)c1 286518654 ZJTGSMDRDFYHBE-CQSZACIVSA-N 297.358 3.534 30 20 CHED COc1ccncc1CS[C@H](C)c1ccc(C#N)cc1 289391725 LXLTUABFXRAOGH-GFCCVEGCSA-N 284.384 3.956 30 20 CHED C=CCOc1cccc(NC(=O)C(CC=C)CC=C)c1 467363896 HDVIUFYNEBPLBO-UHFFFAOYSA-N 271.360 3.958 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC=C(c2cccc(OC)c2)CC1 375125220 MQQYPKZLLMSLKR-OAHLLOKOSA-N 299.414 3.913 30 20 CHED C=CCC[C@H](Nc1ccc2c(c1)CN(C(C)=O)C2)C1CC1 376168527 XALOONNDTFUDBQ-SFHVURJKSA-N 284.403 3.705 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cnn(C)c1-c1ccccc1 288767429 CTMVZBBBNMRDAD-UHFFFAOYSA-N 298.390 3.517 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(CC)cc2)no1 559928908 UCVOYYDXMJSNHI-UHFFFAOYSA-N 264.275 3.967 30 20 CHED CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)C1(C)C 463038683 ZIMCCOGURAAPGN-RRQGHBQHSA-N 286.419 3.801 30 20 CHED CCOC1CC(CSCc2ccc(C#N)cc2F)C1 285191498 VLILZJMXABYMLZ-UHFFFAOYSA-N 279.380 3.746 30 20 CHED CCCC1(CNC(=O)[C@H](C)c2cccc(C#N)c2)CCC1 462202933 IZZRJAUKESYNBN-CQSZACIVSA-N 284.403 3.748 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2C[C@@H]2C2CC2)cc1 555980748 PWFXRPPNGKUUMP-IKGGRYGDSA-N 296.414 3.711 30 20 CHED C=CCOc1ccc(CNC(=O)c2cc[nH]c2C(C)C)cc1 285766142 BRYWAUCDCQPVMJ-UHFFFAOYSA-N 298.386 3.633 30 20 CHED C[C@H](C(=O)N1CCCCC(C)(C)C1)c1cccc(C#N)c1 462336741 BJDNNTCCQICZIZ-AWEZNQCLSA-N 284.403 3.700 30 20 CHED CS[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])C(C)(C)C 466479310 UEKODFWADKMVKT-ZDUSSCGKSA-N 293.392 3.656 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2ccc3c(c2)OCO3)n1 556362000 WKUQZUAEVIPYNB-SOFGYWHQSA-N 298.342 3.822 30 20 CHED CCCCCCCS(=O)(=O)N[C@H](C)c1ccsc1 800951922 QPIZQDSHMRAKKM-GFCCVEGCSA-N 289.466 3.699 30 20 CHED N#Cc1ccc(CN2CC[C@@](F)(c3ccccc3F)C2)cc1 558863473 UQAZLFSEMHLIEV-SFHVURJKSA-N 298.336 3.768 30 20 CHED C=CCC[C@H](CC)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O 477849476 IKJNXDCXIMORIU-NZSAHSFTSA-N 289.463 3.951 30 20 CHED CC(=NNc1ccc(F)cn1)c1c(F)cccc1Cl 807972841 QNZFCEMIJVKBHF-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CCCCCCCCOCc1nc(-c2ccn(C)c2)no1 809501664 OXHHMTHTYWSQBW-UHFFFAOYSA-N 291.395 3.952 30 20 CHED C=CCOCCCSCc1cc(F)ccc1C 479613293 OAACPBIXEUETGJ-UHFFFAOYSA-N 254.370 3.960 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(C2CCC2)cc1 802764872 AHIGSNSPMXKEFZ-MRXNPFEDSA-N 257.333 3.799 30 20 CHED C[C@H](NC[C@@H]1CCOC[C@@H]1C)c1ccc(C#N)cc1Cl 568064811 QYDULJSRJCUCTK-OBJOEFQTSA-N 292.810 3.535 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1cccc(F)c1Cl 561137542 GYYMXRCRFLOQGC-SFHVURJKSA-N 287.787 3.668 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)CC(C)(C)C#N 561322473 VCXZCLNIEBWNPF-UHFFFAOYSA-N 271.191 3.975 30 20 CHED CC1(C(=O)OCCCC2(C#N)CCOCC2)CCCCC1 800205323 IRFVXZWXRYONRA-UHFFFAOYSA-N 293.407 3.601 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[C@@H]1C1CC1 806159225 ZXCDVOLYUFHQOB-MRVWCRGKSA-N 256.349 3.578 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@@H](OCC(C)C)C1 806004057 ZUYJSVBXCARBMZ-MRXNPFEDSA-N 296.455 3.579 30 20 CHED C[C@H](C#N)OCCN(C1CC1)[C@H](C)c1ccc(Cl)cc1 801930391 OPTQHGQKPZCTSN-CHWSQXEVSA-N 292.810 3.794 30 20 CHED C=CCC[C@@H](NCc1oc(CC)nc1C)c1ccco1 291943646 QCPOOPCHJHBMOR-CYBMUJFWSA-N 274.364 3.936 30 20 CHED C=CCCCCNC(=O)C(C)(C)c1ccc(C)cc1 471701984 SCWXWWQDUUECFA-UHFFFAOYSA-N 259.393 3.745 30 20 CHED C#Cc1ccc(CNc2cc(C3CCCC3)nn2C)cc1 809637150 BEZHNLWAKPJBHI-UHFFFAOYSA-N 279.387 3.671 30 20 CHED C(=NNc1nccnc1C1CCC1)[C@H]1C[C@H]2CC[C@H]1C2 807991383 MDQWEWODEICKNF-FPMFFAJLSA-N 270.380 3.578 30 20 CHED C=CCC1(C(=O)Nc2nc(C)c3c(n2)CCCC3)CCCC1 563133493 KOOIXWLHMOTZPX-UHFFFAOYSA-N 299.418 3.739 30 20 CHED C#Cc1ccc(CN(C2CC2)[C@H](C)c2ccco2)cc1 809552378 MMVJJLAONQZQAO-CQSZACIVSA-N 265.356 3.987 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cscc1Cl 640782414 VAFRGCOTWHFDES-VIFPVBQESA-N 270.785 3.974 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 488823359 WVCFEAUDDAVRGS-AGIUHOORSA-N 291.341 3.635 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccccc1OC(F)(F)F 488840779 PBZGRLOYAAHAFX-NSHDSACASA-N 299.292 3.766 30 20 CHED Cc1cc(F)ccc1/C=C1/Cc2ccc(C#N)cc2C1=O 811696969 XIKQZLYHORGRLV-NVNXTCNLSA-N 277.298 3.828 30 20 CHED C#C[C@H](C)N(C)C(=O)NCC1(c2ccccc2)CCCCC1 812006871 ZWBCRGHDNVMQQF-INIZCTEOSA-N 298.430 3.552 30 20 CHED N#Cc1c(F)cccc1/C=C1/Cc2c(F)ccc(F)c2C1=O 811694322 VDIUOTTURBFAMP-POHAHGRESA-N 299.251 3.798 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCc2c1ccc(OC)c2F 564153811 WRTYHJITYLAQKT-RISCZKNCSA-N 263.356 3.766 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(C#N)cc1F 812243547 OHBPQIIUQMPECZ-UTCJRWHESA-N 299.276 3.741 30 20 CHED C[C@H](Sc1cccc(F)c1C#N)C(=O)OC(C)(C)C 481102922 HQLGONKWYARNSZ-VIFPVBQESA-N 281.352 3.520 30 20 CHED COc1ccc2c(c1)C(=NOCC1CC1)CCCS2 814941041 MGCKWYQSBUFDMA-UHFFFAOYSA-N 277.389 3.712 30 20 CHED CC1(C)CCC[C@H]1CN[C@@H]1CCc2ccc(C#N)cc21 569950410 OTWIHTGNVHTGAZ-DOTOQJQBSA-N 268.404 3.961 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(OC(F)F)c(OC)c1 489446102 YYTCHFUVRNOLTP-ZDUSSCGKSA-N 297.345 3.837 30 20 CHED CC#CCCNC(=O)N[C@H](C)c1cccc2ccccc12 482633285 RUROJRLWWSKDFQ-CQSZACIVSA-N 280.371 3.613 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1cccc(OC)c1 486802149 FPXVSQWLNGYFAR-UHFFFAOYSA-N 289.419 3.691 30 20 CHED C=CCC[C@@H](NCc1snnc1C)c1ccccc1 562342846 AKTFYVZCRXALED-CQSZACIVSA-N 273.405 3.644 30 20 CHED C=CCCCC(=O)Nc1ccnn1-c1ccc(Cl)cc1 480904431 XXXRNZFTBZIIEY-UHFFFAOYSA-N 289.766 3.821 30 20 CHED FC(F)(F)c1ccc(NN=Cc2nccs2)cc1 814882200 JSVOZRCYDGRVMY-UHFFFAOYSA-N 271.267 3.608 30 20 CHED CC#CCCN[C@@H]1CC=C(c2ccc(F)cc2)CC1 482166289 SVNGPOQPOCDRBE-QGZVFWFLSA-N 257.352 3.765 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(C)o1 812242360 VETCMCJABABERF-XQRVVYSFSA-N 260.264 3.632 30 20 CHED Cc1cc(Cl)cc2c1O/C(=C/c1cccnc1)C2=O 811696888 HMZGDCONCZHLSB-AWNIVKPZSA-N 271.703 3.660 30 20 CHED CO[C@@H]1CCCC(=NNc2cc(Cl)nc(Cl)c2)C1 819828986 XRHQMFFNTMWCHF-SNVBAGLBSA-N 288.178 3.745 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(F)c1)C2 811695398 FPOQJUIHEFOTCN-NSIKDUERSA-N 263.271 3.520 30 20 CHED C=CCC1(NCc2ccc(-c3cc[nH]n3)o2)CCCC1 657703519 ZIFREJWNMIEVKU-UHFFFAOYSA-N 271.364 3.648 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1cccc(C(F)F)c1C#N 570107034 RZPUMOOHMHTZJX-MNOVXSKESA-N 280.318 3.865 30 20 CHED CC[C@@H](N=c1ccc(C#N)c(C)[nH]1)c1cccc(Cl)c1 488055446 IWUVKMVYICIGBQ-OAHLLOKOSA-N 285.778 3.900 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1ccc2[nH]ccc2c1 811667181 PDONYFPMXGYURR-CQSZACIVSA-N 293.370 3.559 30 20 CHED CC#CCN(C)C(=O)c1ccccc1CCc1ccccc1 570122137 XWOUBZLHMHAXIL-UHFFFAOYSA-N 291.394 3.567 30 20 CHED C[C@H]1CC(=NOC/C=C\Cl)c2c(O)ccc(F)c21 811670142 YKQZOPBIZQTOOQ-LGDYINGASA-N 269.703 3.512 30 20 CHED CC[C@@H](NC1Cc2ccccc2C1)c1ccc(C#N)cc1 575949947 KXODWOMSDHFKJP-LJQANCHMSA-N 276.383 3.766 30 20 CHED CC[C@](C)(C#N)NC(=O)CCSc1cccc(Cl)c1 573478628 PADUELVZNFLDMR-CQSZACIVSA-N 296.823 3.631 30 20 CHED C=CCC1(NC(=O)c2cc3c(C)cccc3o2)CCOCC1 825208395 QFLBDILXCNBDSZ-UHFFFAOYSA-N 299.370 3.596 30 20 CHED C=CCCN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 658115441 VTBUYCQUPPEOFT-GFCCVEGCSA-N 270.298 3.644 30 20 CHED Cc1ccc2sc(C(=O)N(CCC#N)C(C)C)cc2c1 576440976 ZWTJBNALDZMNHG-UHFFFAOYSA-N 286.400 3.974 30 20 CHED Cc1csc(NC(=O)c2csc(C3CC3)n2)c1C#N 579280948 VBOXPWKVMMIHOD-UHFFFAOYSA-N 289.385 3.514 30 20 CHED C=CCSCCNC(=O)Nc1ccc(/C=C/C)cc1 497408515 YDCSZMMSTDDHED-HWKANZROSA-N 276.405 3.760 30 20 CHED N#Cc1ccc(Br)c(COc2ccccc2)c1 492701160 ZWNRANNOCPCTSP-UHFFFAOYSA-N 288.144 3.900 30 20 CHED CC#CCCN1CCc2nc(-c3ccccc3)sc2C1 661541832 TXDZMUSOGUDZAU-UHFFFAOYSA-N 282.412 3.582 30 20 CHED CCOCC(C)=NNc1cc(C)c2ccc(C)c(C)c2n1 726424124 PJAOYXKOPFRIAA-UHFFFAOYSA-N 285.391 3.984 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)NCCC(C)(C)F 661327129 VTMRLXFEFPCZQI-OAHLLOKOSA-N 292.398 3.611 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 908635774 NMPSGTOVKZRYQL-SNVBAGLBSA-N 297.807 3.541 30 20 CHED O=[N+]([O-])c1ccc(CCCC/N=C/c2ccccc2O)cc1 739427779 YZUFQKMJSWPUNX-QGOAFFKASA-N 298.342 3.742 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)OCC(C)(C)C#N 588419039 MWCTYQZRENSCSI-XFFZJAGNSA-N 277.751 3.836 30 20 CHED CC[C@@H](C)[C@H](C)N(Cc1ccc(OCC#N)cc1)C1CC1 732200810 APUQEDJBPOULQM-CABCVRRESA-N 286.419 3.988 30 20 CHED N#CC1(CCCCOC(=O)c2cccs2)CCC1 908701622 BJKRXXLBJXROHA-UHFFFAOYSA-N 263.362 3.769 30 20 CHED COCc1ccc(C=NN[C@H]2CCc3c(F)cccc32)cc1 835020460 MEIDLAAECYKHRY-SFHVURJKSA-N 298.361 3.583 30 20 CHED Cc1cccc(Cl)c1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839448703 JKDFWVPGXJDZBR-NEPJUHHUSA-N 277.751 3.888 30 20 CHED Fc1cc(F)c(NN=Cc2cccc(F)c2F)cc1F 734302818 QDFZAUWIGFMIPH-UHFFFAOYSA-N 286.203 3.828 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc3ccccc3o2)C1 839041070 CNRLOOMNNBSDOZ-YPMHNXCESA-N 269.300 3.672 30 20 CHED N#CC1(c2ccc(-c3ccc4c(c3)CC(=O)N4)cc2)CCC1 906170343 WGAHJHYRIFCVNW-UHFFFAOYSA-N 288.350 3.793 30 20 CHED C=C(CNc1sccc1[N+](=O)[O-])c1ccccc1 588840860 WYZLOWGKSINLJR-UHFFFAOYSA-N 260.318 3.782 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ncc(C)s1)CO2 834417103 CUDFXSDVARBTHL-WUXMJOGZSA-N 285.368 3.727 30 20 CHED CCc1cccc(C)c1NN=C(C)[C@H]1C[C@H]2CC[C@H]1O2 834976021 GVGXWDQONKNWKW-BZUAXINKSA-N 272.392 3.913 30 20 CHED Cc1ccccc1C1CC(=NN[C@H](C)C(F)(F)F)C1 835000594 KYEFFLIFQADLAN-NFJWQWPMSA-N 270.298 3.769 30 20 CHED Cc1ccc(CC(=O)O[C@H]2CCC[C@@H](C#N)C2)c(Cl)c1 839058745 LUMKOZMDHKCBSO-OCCSQVGLSA-N 291.778 3.817 30 20 CHED CC(=NNc1nc2ccccc2s1)[C@@H]1C[C@H]2CC[C@H]1O2 834913635 BSWNJMRHSQSUNT-NTZNESFSSA-N 287.388 3.652 30 20 CHED C[C@@H](OC(=O)[C@]1(C)CC=CCC1)c1ccc(C#N)cc1 835205531 YJPOGLHXLNNJDQ-CXAGYDPISA-N 269.344 3.909 30 20 CHED CCc1ccc([C@H]2CCCCCN2C(=O)C#CC2CC2)o1 837432910 ZBEBLVUCHHOJMW-MRXNPFEDSA-N 285.387 3.699 30 20 CHED COc1ccc(N(CCCSCC#N)CC2CC2)cc1 831587714 IAWLSIXQTRBGAM-UHFFFAOYSA-N 290.432 3.558 30 20 CHED Cc1ccc2cc(C(=O)N(O)Cc3ccc(F)cc3)[nH]c2c1 900096271 XZSZNXMXRXUALZ-UHFFFAOYSA-N 298.317 3.647 30 20 CHED Cc1cccc(-c2n[nH]cc2/C=C\C(=O)c2ccncc2)c1 588386487 YMDVONRHKGAIMJ-WAYWQWQTSA-N 289.338 3.676 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 675488941 BHHDCXFLYFJKQZ-IAGOWNOFSA-N 298.430 3.674 30 20 CHED C=C(C)CN(C)C(=O)NCc1cccc(Cl)c1Cl 679288288 IHVJSHLEZXLFDI-UHFFFAOYSA-N 287.190 3.711 30 20 CHED C=CC1CCN(C(=S)NC[C@H](CC)CCCC)CC1 731942125 IDCPXOWCEONMEO-OAHLLOKOSA-N 282.497 3.975 30 20 CHED C=CC[C@@H](NC(=O)N(CC)Cc1ccoc1)c1ccncc1 734682944 HNVLGORHUGFYGY-MRXNPFEDSA-N 299.374 3.524 30 20 CHED C[C@H](Nc1ccc(NC(=O)O)c(F)c1)c1ccc(C#N)cc1 833524111 ANUNWNCPABIBCX-JTQLQIEISA-N 299.305 3.960 30 20 CHED C=CCC(C)(C)CNC(=O)N(C1CCCC1)C1CC1 582770303 FJFORAKRGOOOEC-UHFFFAOYSA-N 264.413 3.705 30 20 CHED CCC(CC)NN=Cc1cn(CCC#N)c2ccccc12 734366323 NBEMQGHSHFUCNR-UHFFFAOYSA-N 282.391 3.667 30 20 CHED CN(Cc1ccc(NCC(C)(C)CCC#N)cc1)C(=O)O 830835101 BIGWGJJKWSWFMM-UHFFFAOYSA-N 289.379 3.538 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C#N 592604601 GNECRUKWNHYHCR-GXFFZTMASA-N 274.339 3.708 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 916268972 JSSNTPWRYBDOIX-UHFFFAOYSA-N 273.267 3.570 30 20 CHED Cc1cc(CN2CCC([C@H]3CCCCO3)CC2)ccc1C#N 595782241 IAAHBPKEJYQBRR-LJQANCHMSA-N 298.430 3.648 30 20 CHED CCCCCCCCCNC(=O)N(C)CC1CC1 918194145 ANENKERPXFSJCO-UHFFFAOYSA-N 254.418 3.788 30 20 CHED CCC#C[C@H](C)N1CCC(Nc2cccc(C)c2)CC1 677478837 JLXMYRNKJNJSQO-INIZCTEOSA-N 270.420 3.673 30 20 CHED C=C(Cl)COC(=O)c1cc(-c2ccccc2Cl)[nH]n1 914821746 KAHLIMVHWJEDNV-UHFFFAOYSA-N 297.141 3.639 30 20 CHED C[C@H]1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)CC1 597545582 QOHSPROCONHMSR-GJZGRUSLSA-N 276.424 3.936 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccc(N)cc2)CCCC1(C)C 841297056 MAMJSPSGVLCUAC-OAHLLOKOSA-N 287.407 3.867 30 20 CHED Clc1ccc(NN=Cc2ccc3ccccc3c2)nn1 916288234 PTIFHSDMPVEZBU-UHFFFAOYSA-N 282.734 3.729 30 20 CHED Cc1cccc(NN=Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 747735758 KECHNJTZNAYUSI-UHFFFAOYSA-N 294.314 3.831 30 20 CHED C=C(CNCc1cc(C)c(C)cc1O)c1ccccc1 742368852 KIYXFGMOLARYQB-UHFFFAOYSA-N 267.372 3.812 30 20 CHED C#C[C@H](OC(=O)CC1CCSCC1)c1ccc(F)cc1 842407614 OOMUJHKPKMGEFA-HNNXBMFYSA-N 292.375 3.577 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 597761594 SEEDYJBIGQAWOU-IAGOWNOFSA-N 298.430 3.701 30 20 CHED N#CCN(C(=O)C[C@@H]1C=CCC1)c1ccc(Cl)cc1 592651614 WYTNOOZSBZMSTJ-GFCCVEGCSA-N 274.751 3.553 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)cc1 749374697 ZTPKTYOUHZSYHL-CXOKCQFOSA-N 290.794 3.798 30 20 CHED C[C@@H](C(=O)N1CCCc2cc(C#N)ccc21)C1CCCC1 591005622 KZHIEXWAADJURW-CYBMUJFWSA-N 282.387 3.664 30 20 CHED N#CCC1(CSc2nnc(-c3ccccc3)s2)CC1 849883442 DEVUQGXHXYSPNL-UHFFFAOYSA-N 287.413 3.991 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OC/C(Cl)=C/Cl 848798522 RQBGHACSYSKTKA-QVASGMJFSA-N 298.169 3.599 30 20 CHED Cc1ccc(C(F)(F)F)c(NC(=O)N(C)C[C@@H](C)C#N)c1 597074941 HLTYDAKQYAWJDK-JTQLQIEISA-N 299.296 3.637 30 20 CHED C#CC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 843708594 WFPQTEBWBQVPQE-UHFFFAOYSA-N 297.329 3.571 30 20 CHED C#CCN(C(=O)N[C@H]1CCC[C@@H](CC)C1)C1CCCCC1 741091430 KPZNDZGFGOWSHQ-CVEARBPZSA-N 290.451 3.933 30 20 CHED C=CCN(CCc1ccccc1)Cc1oc(C)nc1C 683899243 ZPNSQZLTYUNFLR-UHFFFAOYSA-N 270.376 3.522 30 20 CHED Cc1ccc2ncc(CN3CCC[C@H](CC#N)C3)cc2c1 595623382 OOHGVWUHXYCKLW-OAHLLOKOSA-N 279.387 3.669 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2)cc1Cl 741452070 WHTUDDCBNSDMMC-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 594085245 VMBXLXZFGRVKQI-ZWNOBZJWSA-N 298.308 3.727 30 20 CHED C#C[C@H](C)OC(=O)c1cccc(Nc2ccccc2)c1 744181077 JOZFKNYJMHMWKL-ZDUSSCGKSA-N 265.312 3.609 30 20 CHED Cc1cccc2c1CCN(c1c(C#N)cnc3ccccc13)C2 742402728 VWSMWWADIZHTTO-UHFFFAOYSA-N 299.377 3.978 30 20 CHED COc1cncc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)c1 849245919 CJHGCSVTZIHSOU-ZUZCKIMGSA-N 291.350 3.790 30 20 CHED COc1cccc([C@@H]2C[C@H]2CN[C@H](C)CC(C)(C)C#N)c1 926596663 VXLORDPKTNBZEG-KMFMINBZSA-N 286.419 3.717 30 20 CHED CCc1oc2ccccc2c1C=NOCc1cccnc1 746587951 GZLPZMRGPFHQMX-UHFFFAOYSA-N 280.327 3.941 30 20 CHED N#C[C@H](C(=O)[C@H]1CCSc2ccccc21)c1ccccn1 744026024 RKCJTHAJQRZVLT-KBPBESRZSA-N 294.379 3.537 30 20 CHED Cc1ccnc(NN=CC[C@@H](C)c2ccccc2)c1 755770047 JDKZFJLHKBVKMX-CQSZACIVSA-N 253.349 3.982 30 20 CHED C=C(C)[C@H](N[C@H](C)c1nc(C)no1)c1ccc(F)c(F)c1 681464769 NWITWPJEIGIHSE-OTYXRUKQSA-N 293.317 3.624 30 20 CHED CC1(CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)CC1 759462834 PNTMOWUXUZQNDL-GFCCVEGCSA-N 297.383 3.572 30 20 CHED C[C@H]1CCCCN1N=Cc1cccc(-c2cccnc2)c1 853380428 UDBFCXNAAMQUII-HNNXBMFYSA-N 279.387 3.957 30 20 CHED N#Cc1cc(COC(=O)c2coc3ccccc23)ccc1F 758956196 YDYKKYDVORAFIJ-UHFFFAOYSA-N 295.269 3.801 30 20 CHED C=C(C)CCc1noc([C@@H]2CCN(c3ccccc3)[C@H]2C)n1 685384966 MQQPJPJSISHFMO-GOEBONIOSA-N 297.402 3.961 30 20 CHED CCCCCCCNC(=O)N(CCC)CC(F)F 858111721 QGFWRPHBFPGPHC-UHFFFAOYSA-N 264.360 3.644 30 20 CHED Cc1cccc(C)c1/C=C/C(=O)c1ccc(O)cc1O 755599089 OTMDWTITGDPPLO-CMDGGOBGSA-N 268.312 3.611 30 20 CHED C#CC[C@@H](NCc1sc(C)nc1C)c1ccccc1 756998270 UAIJQJVUKQIDOQ-OAHLLOKOSA-N 270.401 3.614 30 20 CHED C[C@H](Cc1ccsc1)OC(=O)CCc1ccc(C#N)cc1 851144647 JQGWUFNMHJHDKX-CYBMUJFWSA-N 299.395 3.727 30 20 CHED C=CCN(Cc1ccccc1F)Cc1oc(C)nc1C 683898818 ORHWSJGGTMDTGU-UHFFFAOYSA-N 274.339 3.619 30 20 CHED COc1ccc(N(C)Cc2cccc(C#N)c2)cc1Cl 757857252 NUAVKNHQZCEKRR-UHFFFAOYSA-N 286.762 3.857 30 20 CHED CCCCCC[C@H](C)C(=O)N1CCC[C@@](C)(C#N)C1 753164196 OHWHQQRZKSDELB-HOCLYGCPSA-N 264.413 3.745 30 20 CHED C/C=C(/C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 751363198 GPIBYJPJZZDTTB-RZNTYIFUSA-N 270.376 3.509 30 20 CHED Cc1cccc(C)c1C=NNc1nncc2ccccc12 755491304 QGSSKLFIFHPDBI-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H](O)c1cccc2ccccc12 926692166 GGVWTBUBACOTKG-KSSFIOAISA-N 296.414 3.791 30 20 CHED C/C(=C/C(=O)Nc1ccc(F)cc1C#N)C(C)(C)C 751295311 YKSVNDCLKYEZGQ-YFHOEESVSA-N 260.312 3.628 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851206254 PSWPNVWYYFDPFJ-JHJVBQTASA-N 251.370 3.540 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](O)c1cccc2ccccc12 855483030 FNXRLTRDPUJPRU-PKOBYXMFSA-N 297.398 3.592 30 20 CHED CCC(=CC(=O)O[C@@H](C)c1ccc(C#N)cc1)CC 759471408 DBUQYCOFFUDJKV-LBPRGKRZSA-N 257.333 3.909 30 20 CHED CCN(C[C@@H](O)c1ccc(C)cc1)[C@H](C#N)c1ccccc1 851789974 GBNRRWLTJAMRPY-RTBURBONSA-N 294.398 3.615 30 20 CHED C#CC[C@H](CCOC)N[C@H]1CC[C@@](C)(c2ccccc2)C1 862549268 YLRBEZSERHBZPD-CEXWTWQISA-N 285.431 3.515 30 20 CHED C=CC[C@H](N[C@@H]1CCc2ccc(OC)cc21)c1ccncc1 766023015 ZFQQYXMFPSUYFM-RBUKOAKNSA-N 294.398 3.985 30 20 CHED C#CCCN(C/C=C/c1ccccc1)CC(F)(F)F 767894945 KVHVETAUJPKYCN-JXMROGBWSA-N 267.294 3.587 30 20 CHED O=C(/C=C\c1ccc(F)cc1Cl)c1cc(O)ccc1O 767731416 YCTTVBSMSKRGLO-DJWKRKHSSA-N 292.693 3.786 30 20 CHED CCCOc1ccc(NC(=O)C2(C#N)CCCC2)cc1C 863529830 ROKKRHUKMNOFSV-UHFFFAOYSA-N 286.375 3.806 30 20 CHED C#CCCN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 760821614 VRQBYKTWKCNDLE-NSHDSACASA-N 255.283 3.722 30 20 CHED CC(=NNc1ccnc(Br)c1)c1cccs1 769803364 BGCQGERJNDDPAZ-UHFFFAOYSA-N 296.193 3.742 30 20 CHED C=CC1CCN(Cc2cc3cccc(OC)c3o2)CC1 769401930 SISUGLLQPOETPW-UHFFFAOYSA-N 271.360 3.839 30 20 CHED CCCCCCC[C@H](C)NC[C@@H](O)c1ccc(C)o1 768518524 VCVRRUCEGSQDCC-DZGCQCFKSA-N 267.413 3.960 30 20 CHED CCCCCCCCCNC(=O)N[C@@H]1CCO[C@H](C)C1 769735310 KCUITMPCMFFAPD-HUUCEWRRSA-N 284.444 3.604 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2nncc3ccccc23)C1 768352896 TVNSPBBFZRCJQF-OLZOCXBDSA-N 268.364 3.854 30 20 CHED CCCCCCC[C@H](C)CN[C@H](C)[C@H]1CCOC1 765255606 QPKSRSPSYSTXSA-XHSDSOJGSA-N 255.446 3.998 30 20 CHED CC(Cc1ccncc1)=NNc1cc(F)c(F)c(F)c1 767786593 CQFVIHNEXXHULQ-UHFFFAOYSA-N 279.265 3.529 30 20 CHED C[C@](C#N)(NC(=O)[C@@H](F)c1ccccc1)C1CCCCC1 769472838 CSKOJVPDHSRIFP-DOTOQJQBSA-N 288.366 3.676 30 20 CHED CCO[C@H]1CC(=NNc2c(C)cccc2F)C1(C)C 769840859 OAVHXIPPWCEJHW-ZDUSSCGKSA-N 264.344 3.737 30 20 CHED COc1ccc(NN=Cc2cc3cc(OC)ccc3o2)cc1 763370395 PETBHDVUAAWQPS-UHFFFAOYSA-N 296.326 3.896 30 20 CHED C=CCN(C(=O)Nc1ccc(OCCC)cc1)C(C)C 768932702 PXGXQFZPYRNRQT-UHFFFAOYSA-N 276.380 3.904 30 20 CHED CCCCCCCC(=O)NCCOc1ccc(Cl)cn1 760712182 CPGMHIGOAPQQGI-UHFFFAOYSA-N 298.814 3.591 30 20 CHED C#C[C@@H](C)N(C)Cc1nc(-c2ccccc2Cl)cs1 769977287 DVUXVIAYZRJYIT-LLVKDONJSA-N 290.819 3.917 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1cccc(CC#N)c1 768193452 UJLLAGZYEQZJLK-CQSZACIVSA-N 279.339 3.979 30 20 CHED Cc1cccc(F)c1NN=Cc1c(F)cccc1F 769842053 YCRZZZQFOPATKF-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C/C(=C\C(=O)OCCCCC(C)(C)C#N)c1ccco1 1118404293 VGRDNRXGVNBPTM-ACCUITESSA-N 275.348 3.946 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1ccc(O)c(F)c1 1116139322 HWZIFYRFPXKEQY-YVMONPNESA-N 282.314 3.916 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)[C@H]1CCCOC1 779751071 BBJZLMGZABDIMX-NSHDSACASA-N 286.297 3.920 30 20 CHED C#CCCCCC(=O)Oc1ccccc1Oc1ccccn1 773774086 ZHXLNKNDDUWBQJ-UHFFFAOYSA-N 295.338 3.973 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)cc1 772808603 WYYKIRFVBSKHAB-YFHOEESVSA-N 295.313 3.992 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(N)ccc2Cl)n1 872182579 OAYRJEPVAVTJGE-UHFFFAOYSA-N 277.755 3.826 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 879169996 NRTKZSYGWARCGC-CHWSQXEVSA-N 269.454 3.721 30 20 CHED C#CCCCCCC(=O)N(C)[C@H](C)c1ccccc1F 779807962 UBBSMNXLIAVLQB-CQSZACIVSA-N 275.367 3.929 30 20 CHED CC(C)Oc1ccc(NC[C@H](C)CCC#N)cc1C#N 877176657 OSBOFZJKYYKPMK-CYBMUJFWSA-N 271.364 3.697 30 20 CHED C#CCCCCCCNc1ccc(NC(C)=O)c(OC)c1 876834327 PGASOEVFRZMFFW-UHFFFAOYSA-N 288.391 3.649 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)[C@@H](C#N)c1ccccn1 873497663 NQSSNGLHVLPXMD-IRXDYDNUSA-N 292.382 3.835 30 20 CHED C#CCOc1ccccc1NC(=O)/C=C(\C)c1ccccc1 775938834 HDWLPQITODPVDZ-CCEZHUSRSA-N 291.350 3.741 30 20 CHED CS[C@@H](C)CCC(=O)[C@H](C#N)c1ccc2ccccc2n1 773762002 XVLXNCXGMSCIPJ-GXTWGEPZSA-N 298.411 3.943 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(N(C)C)cc1 779171052 XSPCKXQGZUBRLF-UHFFFAOYSA-N 284.403 3.576 30 20 CHED N#Cc1c(F)cccc1C(=O)O[C@@H]1CCc2ccc(F)cc21 777710674 UDIFHVVVRPBXKH-MRXNPFEDSA-N 299.276 3.681 30 20 CHED CCc1nn(C)cc1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 770576568 ZSSGRCUUASJRNY-KNGSKEOJSA-N 292.382 3.682 30 20 CHED COC[C@@H](C)C(C)=NNc1ccc(C(F)(F)F)cc1 777889316 UXZRFMFCYFKWBB-SECBINFHSA-N 274.286 3.776 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2nnc(C)o2)cc1 779955130 YBNQMJIEBGKGBP-UHFFFAOYSA-N 297.358 3.567 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)OCCC(C)(C)C#N 776385890 HZMWMYWNVMZPTE-MRXNPFEDSA-N 287.403 3.984 30 20 CHED Cc1ncsc1/C=C/C(=O)O[C@@H](C)c1cccc(C#N)c1 777306568 GPKLGKDDUMVASH-SYTKJHMZSA-N 298.367 3.641 30 20 CHED CC1=C(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)CCC1 887703422 QZBROJWVFQHCAK-UHFFFAOYSA-N 294.398 3.765 30 20 CHED N#Cc1cccc(CNC(=O)CCCCc2ccccc2)c1 887964396 SIOUYBVXLXEAQP-UHFFFAOYSA-N 292.382 3.587 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1-c1ncco1)C(C)(C)C 889012465 GQWBUXYOYPLAKX-CQSZACIVSA-N 297.358 3.511 30 20 CHED C[C@H](CC(=O)OCc1cccc(C#N)c1F)c1ccccc1 774876519 UPNKJBRBARUMCF-CYBMUJFWSA-N 297.329 3.934 30 20 CHED CCCC[C@@H](CC)CNC(=O)Cc1ccccc1CC#N 776725577 NJVKDTKPDONWNU-OAHLLOKOSA-N 286.419 3.628 30 20 CHED N#Cc1ccsc1NC(=O)CCCc1ccc(F)cc1 1124254680 FAERDYLCPGDFSZ-UHFFFAOYSA-N 288.347 3.720 30 20 CHED C[C@H](CC(=O)OCC1(CC#N)CC1)c1c[nH]c2ccccc12 786432003 UAHMODUMOXPWFQ-CYBMUJFWSA-N 296.370 3.899 30 20 CHED N#CC1(COC(=O)/C=C/c2cccc(F)c2)CCCCC1 780483983 RMQRDWBKRYEADT-BQYQJAHWSA-N 287.334 3.856 30 20 CHED CCCCCCCCC(=O)N[C@]1(C)CCO[C@H]1C1CC1 784745521 IQZUTVJGETVVGA-DLBZAZTESA-N 281.440 3.811 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1 782378060 XIPLPFNNAHDVIV-JTQLQIEISA-N 288.265 3.592 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)cs2)CC1 1128211468 PVFZXJBOXCVTPU-ZIAGYGMSSA-N 290.432 3.954 30 20 CHED C=CCN(CCCCCC)S(=O)(=O)c1cccs1 783553069 OQMRTSQQGVBZEB-UHFFFAOYSA-N 287.450 3.505 30 20 CHED N#Cc1cc(Cl)ccc1N1CCc2ccsc2C1 132462272 PSBIMUOINOOETB-UHFFFAOYSA-N 274.776 3.836 30 20 CHED Cc1ncc(C=NNCCC(C)(C)C)n1-c1ccccc1 782906761 FLTQILZBDFAAIV-UHFFFAOYSA-N 284.407 3.540 30 20 CHED CC1(C)CCC[C@H](C=NN2Cc3ccccc3C2=O)C1 781597545 LSVKLPVWMDIWDR-ZDUSSCGKSA-N 270.376 3.845 30 20 CHED C=CCN(C(=O)Nc1cc2[nH]ccc2cc1C)C(C)C 782090068 HIAICSQRFCWGET-UHFFFAOYSA-N 271.364 3.905 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1-c1nnc(C)o1 1120255656 LSOIMHKUHUWSPM-GFCCVEGCSA-N 285.347 3.586 30 20 CHED Fc1cccc(C2CC(=NNc3cncc(Cl)n3)C2)c1 781588946 BXLXACYFTIZYHQ-UHFFFAOYSA-N 290.729 3.615 30 20 CHED C/C=C/c1ccc(OC(=O)CC(C)(C)C#N)c(OC)c1 786282565 BWBVCRZRGCYEOH-AATRIKPKSA-N 273.332 3.574 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC(c2cc(C)cc(C)c2)CC1 891291265 HYKAFXLEINIPMG-IBGZPJMESA-N 298.430 3.949 30 20 CHED C(=NN[C@H]1CCCOC1)c1cccc(Oc2ccccc2)c1 780265667 NDNNGTCHYYZQTQ-INIZCTEOSA-N 296.370 3.581 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccccc1 782300041 BJTOTXPXDKQYHX-CMDGGOBGSA-N 255.342 3.917 30 20 CHED CC1(C)C(=NNCCc2ccccn2)C[C@@H]1c1ccccc1 789112848 NJZHLUCTIGJWLR-QGZVFWFLSA-N 293.414 3.783 30 20 CHED CC(C)CC(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 891937867 HCGBRBBRIXCWFL-UHFFFAOYSA-N 293.370 3.533 30 20 CHED CC[C@@H](C)CON=Cc1ccc(-c2cnn(C)c2)s1 793160529 VEUCWVBMYNVDCU-LLVKDONJSA-N 277.393 3.545 30 20 CHED C(=NNc1cncnc1)c1cc(-c2ccccc2)cs1 794973623 XKEPMBSRMQMVML-UHFFFAOYSA-N 280.356 3.651 30 20 CHED Cc1ccc2c(C(=O)O[C@@H](C#N)C(C)C)csc2c1 796675653 PYNHBWGMNXPNGE-ZDUSSCGKSA-N 273.357 3.915 30 20 CHED CC(=NOCc1ccc(C(F)(F)F)cc1)c1cnoc1C 799483789 UUYVEYYYUBZLBF-UHFFFAOYSA-N 298.264 3.943 30 20 CHED Cc1cccnc1NN=C/C=C/c1ccc(F)cc1F 790190173 GMBRIAFSXKCVGC-IAJFVOMFSA-N 273.286 3.779 30 20 CHED N#Cc1ccc(NC(=O)[C@@H](F)CC2CCCCC2)cc1C#N 793532142 GYFJIJVWFOXYEM-INIZCTEOSA-N 299.349 3.677 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1C#N 799340845 KQMOTMILLCVHOF-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1cccc(Cl)n1 793173977 GCRUTVGBQRKRQR-WDEREUQCSA-N 251.761 3.959 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(F)n2)C12CCCCC2 795005655 BWSDTGVABAEZPW-CYBMUJFWSA-N 291.370 3.748 30 20 CHED COCCCON=C(C)c1ccc(OC)c2ccccc12 795042803 ZFRQVXZNRNOCFZ-UHFFFAOYSA-N 287.359 3.626 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2CCC(F)(F)C2)c(Cl)c1 796374933 OAKNUXMUDQZDQB-JTQLQIEISA-N 299.704 3.690 30 20 CHED FC(F)C1CCC(=NNc2ncnc3sccc23)CC1 799473648 LRWBYRRHSOKCOF-UHFFFAOYSA-N 296.346 3.915 30 20 CHED CCN(CCc1cccs1)Cc1ccccc1C#N 508708114 YXXUGDQFNHJMHM-UHFFFAOYSA-N 270.401 3.684 30 20 CHED C=C(Cl)CN1CC[C@H]1c1ccc(Br)cc1 1307951754 KSWZVJFVONHKRL-LBPRGKRZSA-N 286.600 3.948 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)OC1CCCCC1 1319827194 XTDLXRVMEZQEHY-UONOGXRCSA-N 267.413 3.585 30 20 CHED C=C(CNC(=O)NC(C(C)C)C(C)C)c1ccccc1 1312256794 KBYBSGUIRSTHQB-UHFFFAOYSA-N 274.408 3.680 30 20 CHED Cc1cc(C)cc(CNC(=O)Nc2sccc2C#N)c1 1310956370 ITLCIZNGKGADQD-UHFFFAOYSA-N 285.372 3.558 30 20 CHED CS[C@@H]1CC[C@H](N(C)Cc2cn3ccccc3c2C#N)C1 1318793477 WBCYVDXKWGFPBY-LSDHHAIUSA-N 299.443 3.527 30 20 CHED C=CC(C)(C)CNC(=O)CCc1cccc(Cl)c1 1328077494 KFVCQGGCMWKQLP-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C=CCC[C@@H](NCCc1nc(C(C)C)no1)c1ccco1 1322073490 MZNUQALJCWQCDZ-CYBMUJFWSA-N 289.379 3.626 30 20 CHED N#CCCN(Cc1cc(F)ccc1Cl)CC1CC1 189067551 IJSFJGDMTUZNDC-UHFFFAOYSA-N 266.747 3.605 30 20 CHED N#Cc1ccc(CN2CCC[C@H](C3CC3)C2)c(Cl)c1 588978284 UYSCQJLMADUWCN-AWEZNQCLSA-N 274.795 3.834 30 20 CHED C=CCCSc1nc(-c2ccc(CC)cc2)n[nH]1 1325661242 BSBDSEWIEHEIJE-UHFFFAOYSA-N 259.378 3.702 30 20 CHED N#Cc1cncnc1N1C[C@@H](c2ccccc2)c2ccccc21 1186305031 RBWWPNCRJVLLNR-KRWDZBQOSA-N 298.349 3.632 30 20 CHED CCc1ccc(CC)c(NC(=O)c2ccc(C#N)o2)c1 689592213 VTWZWVOULSWCSZ-UHFFFAOYSA-N 268.316 3.528 30 20 CHED CC(=NNCc1ccc(F)cc1)c1cc(C)c(C)o1 1256587876 IARTXFMDXIMOHO-UHFFFAOYSA-N 260.312 3.549 30 20 CHED CC(C)[C@H](CNc1cccc(CC#N)n1)Nc1ccccc1 1338233801 UZTHZXOZLJGMQJ-KRWDZBQOSA-N 294.402 3.696 30 20 CHED CCc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)cc1 1252953379 GXQUVEPRTPCLCY-UHFFFAOYSA-N 275.311 3.838 30 20 CHED C=CC[C@H](NC1CCC2(CCCC2)CC1)C(=O)OCC 1343553758 YNRSLEQHLFFZIV-HNNXBMFYSA-N 279.424 3.587 30 20 CHED C=C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C)c1ccccc1 1347018650 NZSWFPQIPFKTPN-KWCYVHTRSA-N 297.320 3.756 30 20 CHED Cc1ccc(N(C)C(=O)C2(c3cccc(C#N)c3)CC2)cc1 1340766280 OXNNPOWQPQCJCK-UHFFFAOYSA-N 290.366 3.561 30 20 CHED C=C(C)CCC(=O)NCc1cc(F)ccc1SC 1262612694 KNJCVDVJFQRMAL-UHFFFAOYSA-N 267.369 3.520 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cccc(C(F)F)c1 1348993815 FDEFJUIGVMFYIJ-UHFFFAOYSA-N 267.319 3.843 30 20 CHED C#CCCCCCC=NNc1cncc(Br)c1 1344437469 FRJQFXMYVWLBFO-UHFFFAOYSA-N 294.196 3.826 30 20 CHED CCc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1351600755 LQMFNENVTAHNPW-KRWDZBQOSA-N 278.355 3.885 30 20 CHED N#CC[C@@H](C(=O)NC1CCCCCC1)c1ccccc1 1352231296 NWMHFDIIIFGCJU-MRXNPFEDSA-N 270.376 3.523 30 20 CHED C[C@H](CC#Cc1cccnc1)OC(=O)[C@H](C)c1ccsc1 1515324578 XCAYQRVYNZYXSZ-ZIAGYGMSSA-N 299.395 3.620 30 20 CHED Cc1cccnc1[C@H](C)Nc1nc(C#N)c(Cl)s1 1516144744 VVGMKCJNRIKNEU-QMMMGPOBSA-N 278.768 3.545 30 20 CHED C=C(C)[C@H](C)OC(=O)c1oc(C2CC2)nc1C(F)F 1525269228 UKKAWIROVKWKRI-ZETCQYMHSA-N 271.263 3.611 30 20 CHED COc1cc(C#N)ccc1CN[C@@]1(C)CCCC[C@H]1C 1460213773 RBGGXMMTMOFHRQ-DYVFJYSZSA-N 272.392 3.625 30 20 CHED C=CC[C@@H](C)S[C@@H](Cc1ccc(C)cc1)C(=O)O 1602837523 ZMKYHTSKADNCCN-OCCSQVGLSA-N 264.390 3.689 30 20 CHED CC[C@H](C)CON=C1CCC[C@H](CCCC(=O)O)C1 1604955559 INASRLBXJFENMW-QWHCGFSZSA-N 269.385 3.850 30 20 CHED N#Cc1cc(C(=O)N[C@@H]2CCc3ccccc32)ccc1Cl 1531365810 FQONFAUEULFPCW-MRXNPFEDSA-N 296.757 3.629 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2sccc2C#N)cc1 1466981551 KDYFXLBNCKQYCT-NSHDSACASA-N 285.372 3.811 30 20 CHED CCc1oc2ccccc2c1CC(=O)N(CC)[C@@H](C#N)CC 1538757852 VAFJVBZZTONZML-CYBMUJFWSA-N 298.386 3.688 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1ccc(C#N)cc1 1534673709 CFZUKHWYYZCHEE-OAHLLOKOSA-N 272.392 3.895 30 20 CHED O=C(O)c1coc(/C=C\C(=O)c2ccc(F)c(Cl)c2)c1 1610866372 JDRJGIOFEYDXRL-RQOWECAXSA-N 294.665 3.666 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccc(C#N)cc1OC 1544380448 JPVQDHOVWDLFNZ-UHFFFAOYSA-N 288.391 3.513 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C#N 1617557606 WSJGVSOGPLOEIV-UWVGGRQHSA-N 264.756 3.832 30 20 CHED C=C(CC)C(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 1548687282 IROSRJBCTZAGEF-MRXNPFEDSA-N 286.419 3.910 30 20 CHED CC(C)CC[C@@H](C)Nc1nc(C#N)c(Cl)s1 1559083388 FHFMVGWQQOSXMO-MRVPVSSYSA-N 257.790 3.905 30 20 CHED N#Cc1ccc(-c2cc(C(F)(F)F)c(Cl)nn2)cc1 536956864 AMDDFFFAFOMUQT-UHFFFAOYSA-N 283.640 3.687 30 20 CHED Cc1cc(N(Cc2ccccc2F)C2CC2)ncc1C#N 1559064633 WWBBTIPSZIGZLQ-UHFFFAOYSA-N 281.334 3.570 30 20 CHED N#CCC1(CNc2cc(-c3cccc(Cl)c3)ncn2)CC1 1559180174 WVTBRYIQSQUETC-UHFFFAOYSA-N 298.777 3.903 30 20 CHED C[C@H](CN(C)c1ncccc1C#N)C1CCCCC1 1559255600 XFSGXNLVHBPBOR-CYBMUJFWSA-N 257.381 3.606 30 20 CHED CCN(C(=O)c1cccc(Nc2ccccc2)c1)[C@@H](C)C#N 1641256549 FCKVQNUKGWUCTR-AWEZNQCLSA-N 293.370 3.804 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1Cc1cccc(C#N)c1 1653768443 ZVDARWOARZMKQD-RHSMWYFYSA-N 256.393 3.959 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc2c(c1)CCCCC2 1585357883 OJUWYBIVBFFLMT-UHFFFAOYSA-N 294.354 3.981 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2F)[C@H](C)C1 1670761133 PCCHLWVHPPANDJ-JTNHKYCSSA-N 289.354 3.644 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@H](C)c2cccc(Cl)c2)C1 1776157547 ZZELLIBULHJMFY-MLGOLLRUSA-N 293.794 3.754 30 20 CHED Cc1c(NN=CC2(C)CC(C)C2)cccc1C(=O)O 1776090026 QWLDEDVYCFLOTL-UHFFFAOYSA-N 260.337 3.527 30 20 CHED Cc1ccc(NN=C2CC[C@H](CC(=O)O)[C@@H]2C)c(Cl)c1 1776060828 QPZGNKGJAPJDMP-WDEREUQCSA-N 294.782 3.937 30 20 CHED C=C1C[C@@H](C(=O)O)N(Cc2ccc(C3CCCCC3)cc2)C1 1776146418 IFJLFJPLXXMZLJ-SFHVURJKSA-N 299.414 3.949 30 20 CHED CC(C(=O)[C@H](C#N)c1nc2ccccc2n1C)=C1CCCC1 161886677 JRRYLOHNOJLMDU-AWEZNQCLSA-N 293.370 3.640 30 20 CHED C[C@H](CC#N)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 162294675 AXOBVMRDPOMTSN-GHMZBOCLSA-N 298.308 3.617 30 20 CHED Cn1ncc2c1CC/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 206764277 HQYHJUSGCBYMEL-SDNWHVSQSA-N 294.398 3.930 30 20 CHED C[C@H](C(=O)Oc1ccc(C#N)cc1F)c1cccc(F)c1 158297092 FBPGBRIRQQTLQD-JTQLQIEISA-N 287.265 3.546 30 20 CHED C/C=C/C=C/C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 160959611 OZOVHCKPCNWNSC-CRBCFSCISA-N 295.367 3.753 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@@H](O)CCC)cc1 163638487 ZWCCMLVLZHDQGW-ZFWWWQNUSA-N 297.826 3.630 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C2CC2)cccc1-c1ccccn1 163816000 LHDQLUIRMPEQIF-QGZVFWFLSA-N 292.338 3.516 30 20 CHED CCC(CC)(CC)NC(=O)CSc1ccc(C#N)cc1 152617557 YKEYSUFCNUUWKG-UHFFFAOYSA-N 290.432 3.735 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 152043569 MVMAAQMDTINXPS-DCAQKATOSA-N 281.758 3.663 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cccc(C)c2)CC1 153046266 DNBBGYFWGZMTAV-INIZCTEOSA-N 272.436 3.686 30 20 CHED C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C#N)c(Cl)c1 153462847 ITJRVCGYWRXHCA-NSHDSACASA-N 296.757 3.803 30 20 CHED COc1cc(F)c(NCCCC(C)(C)C#N)cc1OC 153912903 LDIJWQADJFTDIC-UHFFFAOYSA-N 280.343 3.585 30 20 CHED Cc1ccc(Oc2ccccc2)c(NC(=O)CC#N)c1 153966342 KFJRXYOKQCONOA-UHFFFAOYSA-N 266.300 3.640 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(F)c(Cl)c1 155232733 WNFHGYVMTIGIOL-UHFFFAOYSA-N 256.708 3.519 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2ccc(N(C)C)cc2)cc1 157692308 DBEJTQQWBADHAF-AWEZNQCLSA-N 295.386 3.656 30 20 CHED C=CCCCCCN(C)C(=O)c1sccc1OC 156764237 DLJBFIWDESTMRI-UHFFFAOYSA-N 267.394 3.575 30 20 CHED C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 19878233 IZJMPZRCIHPVEW-KBPBESRZSA-N 250.345 3.970 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 20035410 WOFIGENFTWVLKE-LBPRGKRZSA-N 254.308 3.548 30 20 CHED CCCCCCCC(=O)N1CCc2c(C#N)cccc21 817469560 GXISPBQGSPCVBY-UHFFFAOYSA-N 270.376 3.808 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]2CCC[C@H]21 229150435 UMPHSFFQRDJZKK-NVXWUHKLSA-N 254.377 3.631 30 20 CHED CCC(CC)(CNc1cc(C#N)ccc1[N+](=O)[O-])SC 231778939 JENHBALSQHDOKG-UHFFFAOYSA-N 293.392 3.800 30 20 CHED N#CCc1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 23626309 RFZIFSFJOFOHCE-UHFFFAOYSA-N 294.141 3.640 30 20 CHED C=CCCCCNC1CCN(c2ccccc2)CC1 274418100 GFJQGADKWPYWAT-UHFFFAOYSA-N 258.409 3.601 30 20 CHED N#Cc1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1 47861524 IGKSPKLVMDGIIQ-UHFFFAOYSA-N 285.734 3.533 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]3CCCC[C@H]32)c1Cl 300265986 NRTMNMHBIOHORD-WCQYABFASA-N 275.783 3.766 30 20 CHED CSC(C)(C)CNc1c(Cl)cccc1C#N 301449804 PMGDDVYMDIZXRG-UHFFFAOYSA-N 254.786 3.765 30 20 CHED C[C@H](N(C)c1nc(C(F)(F)F)ccc1C#N)C1(C)CC1 301549570 GEJHCVPCXMFOIS-VIFPVBQESA-N 283.297 3.597 30 20 CHED CS[C@H]1CCCCN(c2ccc(C#N)c(Cl)c2)C1 301780385 MXAUEFBPFCEBPV-ZDUSSCGKSA-N 280.824 3.934 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC2(CCC2)CC1 308736573 ZURIVIGSDIUDJD-UHFFFAOYSA-N 260.768 3.982 30 20 CHED N#Cc1cc(F)c(NCCC(F)F)cc1Br 309435679 ZZVCVLAGUULKSP-UHFFFAOYSA-N 293.086 3.527 30 20 CHED C=CCCCCCCN[C@H]1CCO[C@H](C(F)(F)F)C1 312081098 TWMQVSPDMCYSOJ-STQMWFEESA-N 279.346 3.822 30 20 CHED C=CCN(CCCCC1CCOCC1)C(C)(C)C 661759969 NJERWLUTPWNCTI-UHFFFAOYSA-N 253.430 3.870 30 20 CHED CC[C@@H](CC#N)NCc1cccc(Br)c1C 566429583 WQVBXNKGHLOHEN-LBPRGKRZSA-N 281.197 3.539 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCCC(C)(C)C#N 543472295 VSGIBUDACMROFL-KFWWJZLASA-N 250.430 3.977 30 20 CHED C=CCN(CC=C)CC[C@@H](C)OCc1ccccc1 354889474 IVVDZIXOSVQXHW-MRXNPFEDSA-N 259.393 3.656 30 20 CHED Cc1cc(C)c(C#N)c(SCCC(C)(F)F)n1 450607789 BEEXASJLANEGBW-UHFFFAOYSA-N 256.321 3.708 30 20 CHED C=CCCNCc1cc(Cl)c(OC)cc1Cl 657582823 IGXDGHAPAWWRHV-UHFFFAOYSA-N 260.164 3.668 30 20 CHED C=CCC(C)(C)CNCc1ccc2ncccc2c1 381725243 MBDOSIXYPOIEJF-UHFFFAOYSA-N 254.377 3.927 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)CCC(C)(C)C 386278918 QMZZIRMZDRSCOG-GFCCVEGCSA-N 252.402 3.647 30 20 CHED CC(C)(C#N)CCCCN1CCC(CCC#N)CC1 399387068 INSYKVICZIBMMI-UHFFFAOYSA-N 261.413 3.722 30 20 CHED Cc1ccc(CNc2cccc(F)c2C#N)c(C)c1 36138543 KSPQEKBGYSFVDO-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CSc1ccccc1NC(=O)c1cccc(CC#N)c1 42201227 JBQNIXUUCLZYTK-UHFFFAOYSA-N 282.368 3.727 30 20 CHED C=C(C)CNC(=S)N(C)Cc1ccc2ccccc2c1 44511990 RZLFPNXAAGKPPS-UHFFFAOYSA-N 284.428 3.722 30 20 CHED CCc1sc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C 45217682 PAJMTKOCPHKMSN-GFCCVEGCSA-N 298.411 3.982 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1cc(Cl)cc(Cl)c1 48625434 KCSOGWUOMDUDFI-ONEGZZNKSA-N 295.169 3.931 30 20 CHED CC[C@H](NC(=O)c1sccc1C#N)c1cccs1 52032528 YJFPXHCMBRKZPF-JTQLQIEISA-N 276.386 3.562 30 20 CHED N#CCN(C(=O)c1ccccc1Cl)c1ccccc1 57565731 QMDGAIYVAJMFFN-UHFFFAOYSA-N 270.719 3.510 30 20 CHED CCN(Cc1c(C)cc(C)c(C(C)=O)c1C)C[C@@H](C)C#N 64248818 IIWKXXGDDQXMMZ-LBPRGKRZSA-N 286.419 3.796 30 20 CHED C#CCN(C(=O)c1cc(Cl)ccc1F)C1CCCCC1 65777011 PFMLZFJNVILKMY-UHFFFAOYSA-N 293.769 3.887 30 20 CHED CC(C)OCc1cccc(NC(=O)C2(C#N)CCCC2)c1 68221358 IJOYDXGDFDDOCL-UHFFFAOYSA-N 286.375 3.634 30 20 CHED C[C@@H](C#N)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 68924995 SXZOUANUXKCRTR-XJKSGUPXSA-N 296.395 3.548 30 20 CHED Cc1ccccc1CCC(=O)N[C@@H](C)c1cccc(C#N)c1 75272512 WCGHMXATGRVIHI-HNNXBMFYSA-N 292.382 3.677 30 20 CHED CC(C)[C@H](C(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 76825474 SIDVRHYKYYWRQS-RDJZCZTQSA-N 278.355 3.698 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(SC)cc1 78595254 VISLJIUBDKQEER-ZDUSSCGKSA-N 293.432 3.600 30 20 CHED N#CCCN(CCc1ccccc1Cl)Cc1ccccn1 81159274 QKYGGNKMFWWNBV-UHFFFAOYSA-N 299.805 3.693 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C/c1cccc(OC2CCCC2)c1 84713397 KOZWPTHHHNSCBX-NKSUMMKUSA-N 299.370 3.867 30 20 CHED CC[C@@H](CC#N)NCc1ccc(Br)c(C)c1 85706930 GSABTLCYLKDRIJ-LBPRGKRZSA-N 281.197 3.539 30 20 CHED N#C[C@@H](NC(=O)C1CCCCCCC1)C1CCCCC1 86579678 CNOSLCORMBPVDS-MRXNPFEDSA-N 276.424 3.936 30 20 CHED Cc1ncc([C@@H](C)N[C@H](CCC#N)c2ccccc2)c(C)n1 90664983 SOAZEACXFWOACR-RDTXWAMCSA-N 294.402 3.789 30 20 CHED CCN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](C)C#N 91982517 IPVYJCNFMKFILR-INIZCTEOSA-N 285.435 3.658 30 20 CHED N#Cc1c(Cl)nsc1Oc1cc(F)ccc1F 92650229 ZJAZNOCGLMDIJS-UHFFFAOYSA-N 272.663 3.739 30 20 CHED COc1ccccc1C/N=C\c1cc(Cl)ccc1O 103010769 PQLYKJDYLDMGDJ-YVLHZVERSA-N 275.735 3.673 30 20 CHED C[C@H](NC(=O)CCCC(C)(C)C)c1ccc(C#N)cc1 103373007 SMTYTFUDWUSKOK-ZDUSSCGKSA-N 272.392 3.952 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Sc1ccccc1Cl 116851967 YRYRUYXSRMUNLV-MNOVXSKESA-N 283.824 3.901 30 20 CHED C=CC[C@@H](C)NC(=O)CCCCCc1cccs1 116855362 NYHUWKXZIMQOFX-CYBMUJFWSA-N 265.422 3.932 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cc2cccc(F)c2o1 124996116 ILPOOOXZSARWOK-GFCCVEGCSA-N 275.279 3.667 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)c2ccc(C)cc2)c1 126894665 AVCDLKVJQYVKSA-FHXOWUIVSA-N 269.344 3.889 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H](c2ccccc2)CC1 128248813 GIAPNYBYOPZRGH-HOCLYGCPSA-N 272.392 3.540 30 20 CHED CCC(=CC(=O)N[C@@](C)(C#N)CCc1ccccc1)CC 129377736 RQRGAPZDYJCPRF-GOSISDBHSA-N 284.403 3.764 30 20 CHED O=C(/C=C/c1cncs1)c1cc2c(s1)CCCC2 130124868 WFQNNUGQUNDKHS-AATRIKPKSA-N 275.398 3.980 30 20 CHED N#Cc1cccc(CNCCCCc2ccccc2)c1 131143528 BHHMCPZMPZUXGY-UHFFFAOYSA-N 264.372 3.671 30 20 CHED CC[C@H](CC#N)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 133202844 QEYVDUNSHYKBPB-KGLIPLIRSA-N 281.403 3.616 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 136199844 FDARUSHECKIXLE-LBPRGKRZSA-N 288.244 3.723 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CCCSC(C)(C)C)C1 155131386 SMFWLPWTZLEUDX-XJKSGUPXSA-N 296.480 3.887 30 20 CHED CC(C)(C#N)CCN1CCC(c2nc3ccccc3[nH]2)CC1 157964156 IJHMIPKYFFIJIZ-UHFFFAOYSA-N 296.418 3.682 30 20 CHED CC[C@H](C)CN(CC)C(=O)c1ccc(C#N)c(Cl)c1 157973676 DONBFKOVJLGLDJ-NSHDSACASA-N 278.783 3.720 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccnc1-c1ccccc1 158567392 WZRLRWKYDZAMRJ-AWEZNQCLSA-N 294.358 3.562 30 20 CHED C=CCN(C)C(=O)N[C@H](CC)c1ccc(Cl)cc1 161436930 LZRVAFRQTOHETR-CYBMUJFWSA-N 266.772 3.619 30 20 CHED N#Cc1ccc(COC(=O)[C@H](c2ccccc2)C2CC2)cc1 162235745 HITSREOCTBVJOF-GOSISDBHSA-N 291.350 3.795 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(SCC)c1 172105096 CCVBMZCGYQGJOF-LLVKDONJSA-N 264.394 3.885 30 20 CHED C#CCCCNC(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 174301280 CJXOIWCHKCFKSC-WMZOPIPTSA-N 298.430 3.625 30 20 CHED CC(C)(C#N)CCCN1CC[C@H](Cc2ccccc2)C1 174873813 WRJCMSDNMDZRFO-QGZVFWFLSA-N 270.420 3.881 30 20 CHED C[C@@H](OC(=O)c1ccc2cc[nH]c2c1)c1ccc(C#N)cc1 175756136 RVMCGAYKJDASLB-GFCCVEGCSA-N 290.322 3.958 30 20 CHED Cc1cc(Cl)cc(NC(=O)C2(C#N)CCCCC2)c1O 175838484 QLNSHAMPKYWKLV-UHFFFAOYSA-N 292.766 3.767 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C(\C)c1ccccc1Cl 176008150 ODXSWGZFZXHQIQ-UQSGXBNBSA-N 263.724 3.589 30 20 CHED Cc1cccc(C(C)(C)NCc2ccc(C#N)s2)c1 176972453 JAJKFHQUTBTSIE-UHFFFAOYSA-N 270.401 3.953 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2C[C@@H]1C 177176103 IZZBTZOKJOQZNT-AWEZNQCLSA-N 269.388 3.728 30 20 CHED C=CCCCC(=O)Nc1ccc(OC(C)C)cc1F 177785686 WCJMMSPKHGCCJN-UHFFFAOYSA-N 265.328 3.908 30 20 CHED C=CCN1CCC(N[C@@H](C)c2cc(C)sc2C)CC1 177905536 OYMSIUCXDWMTDM-ZDUSSCGKSA-N 278.465 3.666 30 20 CHED Cc1cccc(C)c1CN(CCC#N)Cc1ccccn1 178386683 HGNFZEJXBVJASF-UHFFFAOYSA-N 279.387 3.614 30 20 CHED N#Cc1cc(COc2cccc(C(F)(F)F)n2)ccc1F 179954894 ZHDXXIWYPBGVIV-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 180442181 PGCRQSUKFBGOPG-UONOGXRCSA-N 297.320 3.843 30 20 CHED Cc1cccc(COc2ccc([C@H](C)NCC#N)cc2)c1 182066682 VSKPGSMUDCAYSH-HNNXBMFYSA-N 280.371 3.748 30 20 CHED C=CCC[C@@H](Nc1ccc(OC)c(NC(C)=O)c1)C1CC1 182111564 OVUOOKFPKKRHJW-OAHLLOKOSA-N 288.391 3.810 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)OCC2(C#N)CCC2)cc1 183831985 CJRSHFVXKNYHHD-ZDUSSCGKSA-N 287.359 3.715 30 20 CHED C=CCCCN[C@H](COCC(C)C)c1ccco1 184211461 WUIYFCQKGDUTCF-CQSZACIVSA-N 251.370 3.549 30 20 CHED N#CCC(=O)N[C@H](CC1CCCCC1)c1ccccc1 184836504 MUPZURQXZHQWJO-MRXNPFEDSA-N 270.376 3.728 30 20 CHED CC#CCCCC(=O)Nc1ccc(C(C)(C)C#N)cc1 185277885 OTQPDYPCAZSRQD-UHFFFAOYSA-N 268.360 3.620 30 20 CHED CC#CCCCC(=O)N(CC1CC1)C1CCCCC1 185653229 LKYJJZRUXGRUJO-UHFFFAOYSA-N 261.409 3.751 30 20 CHED CC(=O)CCc1ccc(OCc2ccc(C#N)cc2C)cc1 186107147 MNXNZATVSYREIJ-UHFFFAOYSA-N 293.366 3.967 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@@H](C)C1)c1ccccc1 187272669 VCPTXJSLIITZNC-ZBFHGGJFSA-N 257.377 3.605 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(F)cn1)c1ccccc1 187575736 JQSYQSSLUVYCRP-CQSZACIVSA-N 270.307 3.519 30 20 CHED N#Cc1ccccc1OCCOc1cnc2ccccc2c1 187886522 FWPYAJPLUPCNIQ-UHFFFAOYSA-N 290.322 3.564 30 20 CHED C[C@H](C1CC1)n1cc(NCC(C)(C)CCC#N)cn1 189242682 CWZKKBJXSIYAKO-GFCCVEGCSA-N 260.385 3.596 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)CCC1 190064171 JULSLHSDZXQVPB-CVEARBPZSA-N 293.451 3.833 30 20 CHED C[C@@H](SCCCC#N)c1nc(-c2ccccc2)no1 190976279 DTKFPUZYBXEFMR-LLVKDONJSA-N 273.361 3.835 30 20 CHED C=CCC1(C(=O)NCC2(c3ccccc3C)CC2)CCC1 191040216 MPRMPWGIJZEAOH-UHFFFAOYSA-N 283.415 3.889 30 20 CHED C#CCN(C)C(=O)c1ccc(CSc2ccccc2)cc1 191107366 JOJPSUMQQHSOGG-UHFFFAOYSA-N 295.407 3.684 30 20 CHED N#CCN(CCSCc1ccccc1)C1CCCC1 192624852 CFSILFJKLIKSTE-UHFFFAOYSA-N 274.433 3.688 30 20 CHED CC(C)CCOC1CCN(Cc2cccc(C#N)c2)CC1 193107128 ZVANIOGZYIYMJO-UHFFFAOYSA-N 286.419 3.585 30 20 CHED C=CCCCCCN1CCC(OC[C@H]2CCCCO2)CC1 193373698 RCQJWWQYKIQZTL-GOSISDBHSA-N 295.467 3.783 30 20 CHED N#CCN(Cc1sccc1Cl)C1CCCC1 194407923 MKSKXWYKAXNTJF-UHFFFAOYSA-N 254.786 3.670 30 20 CHED CCCOc1cccc(C(=O)N(CC#N)c2ccccc2)c1 195117944 KMYNRXCPYOTWKV-UHFFFAOYSA-N 294.354 3.646 30 20 CHED C=CCSCCN[C@@H](C)CCc1cccc(C)c1 221942965 NSMIWFBWQXXLNJ-HNNXBMFYSA-N 263.450 3.825 30 20 CHED CCOc1ccc(NCc2cccc(C#N)c2F)cc1 223729637 MAGKBQQIDMAAMM-UHFFFAOYSA-N 270.307 3.708 30 20 CHED Cc1cc(OCCCCC(C)(C)C#N)ccc1C(=O)O 232365901 OMSVJCDGIZPTFU-UHFFFAOYSA-N 275.348 3.792 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)NC2(C#N)CCCCC2)CC1 245522613 CRGRDOPQPPYXHA-SHTZXODSSA-N 276.424 3.791 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 248398066 MNGPUZLLRMLFIZ-FHLIZLRMSA-N 292.382 3.752 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2CCCOc3cc(F)ccc32)C1 248898585 UFENXRGTXUQQKT-XPKDYRNWSA-N 288.366 3.711 30 20 CHED C=CCSc1nccn1-c1cccc(Cl)c1 249692512 MTXCNMKEQCYSIH-UHFFFAOYSA-N 250.754 3.804 30 20 CHED CCN(CC)[C@@H](C/N=C\c1ccccc1O)c1ccccc1 255830684 QGZODROGWSWCGP-HJHGFDQJSA-N 296.414 3.894 30 20 CHED C#Cc1cccc(NC(=O)Cc2csc(C(C)(C)C)n2)c1 263726236 HPMXXHSOHLBQRJ-UHFFFAOYSA-N 298.411 3.603 30 20 CHED CCCc1sc(C(=O)N(C)[C@H](C)CC#N)cc1CC 264081170 QDOYRPPPNZNQGJ-LLVKDONJSA-N 278.421 3.637 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](c1ccccc1C)C1CC1 264828882 HXRPUTJYTDWQSV-RHSMWYFYSA-N 287.403 3.544 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1ccc(SC)cc1)OCC 270067251 QTSXPCSDIYHGOH-OAHLLOKOSA-N 293.432 3.743 30 20 CHED Cc1nnc(CS[C@@H](C)c2ccc(C#N)cc2)s1 271376815 PUQIAALQIYCFOX-VIFPVBQESA-N 275.402 3.713 30 20 CHED COCCN(CCC(C)(C)C#N)[C@@H](C)c1ccccc1 272029318 OTDDRIVTIJIDHT-HNNXBMFYSA-N 274.408 3.636 30 20 CHED C=C(C)[C@@H](Cc1nc([C@H](C)c2cccs2)no1)OCC 273849890 KEDXJUJWFOGEMU-VXGBXAGGSA-N 292.404 3.807 30 20 CHED C=CCCN[C@@H](C)c1nc2ccccc2n1C(F)F 275469078 OEVKISOLRRSYEK-JTQLQIEISA-N 265.307 3.658 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)c(Cl)cc1OC 276271825 HEZMSHJTXGGCTI-UHFFFAOYSA-N 282.771 3.697 30 20 CHED C[C@@H](CCC#N)N[C@@H](C)c1c(F)cccc1Cl 276305828 KXXPQDGCWQVEJC-UWVGGRQHSA-N 254.736 3.822 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C)sn1 279435718 LPGJJBSIGHYIND-UHFFFAOYSA-N 286.400 3.670 30 20 CHED Cc1ccc(OCCCC2(C#N)CCOCC2)cc1C 281239335 GAWRGMMATJPUBI-UHFFFAOYSA-N 273.376 3.783 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1ccc(Cl)cc1F 281622686 ARVICJFBHCXOHK-UHFFFAOYSA-N 282.746 3.772 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@@H](C)c1cccnc1 287176044 DRMZSSMQXFBCFK-HNNXBMFYSA-N 289.423 3.921 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)c1nc(C(F)(F)F)cs1 287648577 IAAVYDNHSSZSAC-SSDOTTSWSA-N 298.293 3.602 30 20 CHED C=CCCC(=O)Nc1c(F)cccc1SCC 291613756 HPDHCRFLXXKOGH-UHFFFAOYSA-N 253.342 3.842 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 295597688 OWGUFPHSMHZXIZ-YVEFUNNKSA-N 270.376 3.681 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(C(C)(F)F)cc1 297350794 OAHNPFZGVSKRPF-UHFFFAOYSA-N 296.361 3.906 30 20 CHED CC[C@H](C(=O)N(C)[C@H](C)C#N)c1cccc(C(F)(F)F)c1 297659317 BPBMRQLIRWKHQQ-MFKMUULPSA-N 298.308 3.569 30 20 CHED CCc1ccc(OC(=O)[C@@]2(C#N)CC23CCCC3)cc1 297825699 KQXVBMWXLKSHQC-KRWDZBQOSA-N 269.344 3.628 30 20 CHED N#C[C@@]1(C(=O)Nc2cccc(F)c2Cl)CC12CCCC2 297876142 UMLIHACGKAOEIT-OAHLLOKOSA-N 292.741 3.892 30 20 CHED C=CCn1c(S[C@H](C)c2cccnc2)nnc1C1CC1 299074989 QIPVIUAJCHUNKZ-LLVKDONJSA-N 286.404 3.590 30 20 CHED N#CC1(NC(=O)/C=C/c2c(Cl)cccc2Cl)CCC1 299294993 BFMIEZPVZFZTKS-AATRIKPKSA-N 295.169 3.569 30 20 CHED C=C[C@H](C)Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1 301616230 VSHFZCLSVKHCBW-VIFPVBQESA-N 294.280 3.544 30 20 CHED Cc1cc(F)cc2c(N3CCC4(CCC4)C3)c(C#N)cnc12 301616372 AEUVHPGIUKFZKE-UHFFFAOYSA-N 295.361 3.934 30 20 CHED N#Cc1ccc(Oc2cc(C#N)ccc2[N+](=O)[O-])c(Cl)c1 302231442 YQGRYJHMDJHGDQ-UHFFFAOYSA-N 299.673 3.784 30 20 CHED CC(C)(C)C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 307842476 XZILRSMYROZVKF-AWEZNQCLSA-N 274.383 3.955 30 20 CHED Cc1cc(C#N)ccc1CN[C@]1(C)CCCC[C@H]1C 308709380 LMJKUHLSTWFOHD-RHSMWYFYSA-N 256.393 3.925 30 20 CHED CCC1(CC)CCN(c2nc(Cl)c(C#N)s2)C1 310120217 AJDCOWGADWFNEZ-UHFFFAOYSA-N 269.801 3.685 30 20 CHED Cc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1Cl 313454003 WJLXIQLGUJFWCU-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CC(C)[C@H]1CC[C@H](/C(O)=N/Cc2noc(C3CC3)n2)CC1 328896314 BZRAXCYERSALQI-HAQNSBGRSA-N 291.395 3.866 30 20 CHED Cc1nc(CC/N=C(/O)C[C@@H]2CC[C@@H](C)C2)c(C)o1 329035793 RCLAPUGOLFWNPZ-ZWNOBZJWSA-N 264.369 3.617 30 20 CHED Cc1ncc(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(C)n1 329207397 FDWXUKCZIZXBHR-RRFJBIMHSA-N 287.407 3.757 30 20 CHED CC[C@H](C)n1ncc(N=C(O)[C@@H]2CCCOCC2)c1C 329933531 BNHCSNHYDVYXNQ-WCQYABFASA-N 279.384 3.567 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@H]1[C@@H]2c3ccccc3CC[C@H]21 330146261 HWAVTCFQLNCPON-KBRIMQKVSA-N 296.370 3.578 30 20 CHED Cc1noc(-c2ccccc2)c1N=C(O)N1CCC12CCC2 330175473 ZRWPBTOBFFOHRO-UHFFFAOYSA-N 297.358 3.824 30 20 CHED CCC(O)(CC)C/N=C(/O)c1coc(C2CCCCC2)n1 330427027 FQMINFCZIPCERP-UHFFFAOYSA-N 294.395 3.578 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(O)=Nc1ccc(C)c([N+](=O)[O-])c1 330632703 REPYGWUSBJSQHO-DGCLKSJQSA-N 291.351 3.712 30 20 CHED Cc1ccc([N+](=O)[O-])cc1/C(O)=N/C[C@@H]1CC[C@H](C)C1 331093898 YTYHHBWHQCCGLF-CMPLNLGQSA-N 276.336 3.644 30 20 CHED Cc1cccc([C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c1 333552960 UWYWXLQUGDPXRI-RDTXWAMCSA-N 282.387 3.646 30 20 CHED Cc1cc(CN[C@@H]2CCOc3c(F)cccc32)ccc1C#N 334568787 KEPYBPYOABBDQU-QGZVFWFLSA-N 296.345 3.619 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(F)F)cc1 337056789 CRLDVVQTFMRFHQ-GFCCVEGCSA-N 253.292 3.709 30 20 CHED CC(C)(C)CCNCc1cccc(OCCCC#N)c1 338950998 BTFBSFFNJNUKLK-UHFFFAOYSA-N 274.408 3.895 30 20 CHED C=CCOCCN(Cc1ccoc1)C1CCCCC1 339004439 BIFISUUVSYTLOS-UHFFFAOYSA-N 263.381 3.617 30 20 CHED Cc1ccc(C)c(CC(=O)N(CCC#N)CC(C)(C)C)c1 343020643 ULJOLFLDCDKLJI-UHFFFAOYSA-N 286.419 3.634 30 20 CHED N#Cc1cnc(N2CCC=C(c3ccccc3)C2)c(Cl)c1 343147771 JJVNDAGRQYLSBG-UHFFFAOYSA-N 295.773 3.900 30 20 CHED CC1CCC(N(C)Cc2ccc(F)cc2C#N)CC1 343735160 PZJBIIKHEMTPLN-UHFFFAOYSA-N 260.356 3.708 30 20 CHED C=C(CNC(=O)[C@H](C)c1cccs1)c1ccccc1 345703084 BSYHOUYIGOEAPW-CYBMUJFWSA-N 271.385 3.681 30 20 CHED C[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccc(F)c(F)c1 345979890 BLNKHGGTPJPHDB-LLVKDONJSA-N 294.345 3.514 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)s1 346646293 WFQYRDFCPLPFKF-VHSXEESVSA-N 269.797 3.540 30 20 CHED C=CCC(C)(C)C(=O)Nc1csc(-c2ccncc2)n1 346772571 SHEDQSLCQYMOOL-UHFFFAOYSA-N 287.388 3.746 30 20 CHED N#Cc1cnccc1/C=C\c1cscc1Br 349106436 IOXGJQAGXWNTJJ-UPHRSURJSA-N 291.173 3.948 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C(=O)OCC)o1 351589349 NCRWFZZBLHMIDE-UHFFFAOYSA-N 299.370 3.645 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccc(Cl)cn1 352039041 NUWGOKOXQIEPTE-NSHDSACASA-N 278.783 3.681 30 20 CHED N#CC1(F)CCN(Cc2cccc3ccccc23)CC1 352450614 SBZFNUYLJZUKJK-UHFFFAOYSA-N 268.335 3.667 30 20 CHED C=CCOCC(=O)N1CCC[C@@H]1c1cccc2ccccc12 354712482 IOPPJFPDQBMSDD-GOSISDBHSA-N 295.382 3.706 30 20 CHED C=CCOc1ccc(C(=O)N2[C@H](C)CC[C@H]2CC)cc1 357757191 HTYQUFLKMQTBJC-UKRRQHHQSA-N 273.376 3.655 30 20 CHED C=CCC1(C(=O)Nc2ccc(N3CCCCC3)nc2)CCC1 357930591 OJOKETWYPGVHDD-UHFFFAOYSA-N 299.418 3.757 30 20 CHED CCCC[C@@H](C)N(C)C(=O)c1cccc(SCC#N)c1 359710189 WGMWHTLZOXJIMZ-CYBMUJFWSA-N 290.432 3.953 30 20 CHED Cc1noc(C)c1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 363285373 JIVBLGMOPBKEGL-WMZOPIPTSA-N 295.386 3.563 30 20 CHED N#Cc1ccc(NCc2ncoc2-c2ccccc2)cc1 366094961 SIVIFGFUCRGBMH-UHFFFAOYSA-N 275.311 3.825 30 20 CHED N#Cc1ccc(SCCCO[C@H]2CCCCO2)cc1 412993108 NYSWYHKNDWUXHW-HNNXBMFYSA-N 277.389 3.584 30 20 CHED N#CCCSCc1cn2cc(Cl)cc(Cl)c2n1 413017628 ZOEAUPMDIQPILR-UHFFFAOYSA-N 286.187 3.788 30 20 CHED C[C@H]1CC[C@@H](CNc2cc(C#N)ccc2C(F)(F)F)O1 413376566 MWCXMKXXHDSKGD-ONGXEEELSA-N 284.281 3.556 30 20 CHED C[C@@H]1O[C@H](C)C[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 413544167 YILZVQGQSFCGER-JFGNBEQYSA-N 298.308 3.802 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](CC)C1 413842668 YKJGRKOLYCKJKB-DOTOQJQBSA-N 286.419 3.615 30 20 CHED C=C[C@H](CC(=O)NC(C)(C)COC(C)C)c1ccccc1 414004024 ZNQLYSFHSAVWTF-OAHLLOKOSA-N 289.419 3.666 30 20 CHED CC1(CNc2ccc(Oc3ccccc3)c(C#N)c2)COC1 419768492 UQOOYVPXGBEOAW-UHFFFAOYSA-N 294.354 3.799 30 20 CHED C=C(C)CCc1noc(COCc2cccc(Cl)c2)n1 420506636 SVJIEVWNPYCDQQ-UHFFFAOYSA-N 292.766 3.949 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H](Cc2ccccc2Cl)C2CC2)C1 424337606 ZQZPWOGRTMSNHA-MJEQTWJJSA-N 288.822 3.943 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 424664051 OGKFFGMTDSXTEM-AYBZRNKSSA-N 298.430 3.844 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)NCC(C)(C)CC#N 424888699 GYRXHCNSXWDYHC-OAHLLOKOSA-N 286.419 3.620 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(Br)cc1 429898966 BQMWNDGNZSZJFC-UHFFFAOYSA-N 296.208 3.668 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)Cc1cccc(F)c1 432600107 XIKPKGIQGNQTEI-UHFFFAOYSA-N 292.398 3.960 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)C(F)F)cc1F 433053390 QBIXUAJXLWDJOM-HNNXBMFYSA-N 290.288 3.793 30 20 CHED CC(C)C[C@H](C)CC(=O)N1CCCC(C)(C)[C@@H]1C#N 434029848 FCGUSHDGFSADJX-KBPBESRZSA-N 264.413 3.599 30 20 CHED CC(C)CCC[C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 435052717 XFRRYIKYVQTQGT-HNNXBMFYSA-N 298.430 3.921 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1Nc1ccc(C#N)nc1 435601635 OYUWITUIRSIRJI-IAGOWNOFSA-N 287.407 3.739 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1 436025065 GTRBUIYOYMLGET-XSWJXKHESA-N 288.435 3.791 30 20 CHED C=CCN(CC=C)C(=O)Nc1ncc(C(C)(C)C)s1 438526862 AKSVBYWKROHWSK-UHFFFAOYSA-N 279.409 3.647 30 20 CHED C=CCCCN(Cc1ccccc1)C[C@@](C)(O)CC 439258643 FSZILZIMANFLFW-KRWDZBQOSA-N 261.409 3.616 30 20 CHED N#C[C@@H]1CC[C@H](NCCc2csc(-c3ccccc3)n2)C1 442637359 ORVUCHOGFGYEDW-HIFRSBDPSA-N 297.427 3.634 30 20 CHED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1OC(F)F 442868150 MZWKHVIDLQXUDT-WDEREUQCSA-N 266.291 3.701 30 20 CHED COc1cc(CN(C)[C@@H]2CCC(C)(C)C2)ccc1C#N 443061789 KBPUNNGDKVCIPS-OAHLLOKOSA-N 272.392 3.577 30 20 CHED Cc1cc(CNCC(C)(C)Oc2ccccc2)ccc1C#N 443999165 BMZFAQABAMMKIR-UHFFFAOYSA-N 294.398 3.814 30 20 CHED CC1(C)CCCN(Cc2cccc(OC(F)F)c2)[C@H]1C#N 444720994 UYMKSGISBIVTHW-AWEZNQCLSA-N 294.345 3.802 30 20 CHED N#Cc1cc(CN2CCCC3(CCCC3)C2)ccc1F 445857166 XAJXFUDXFKCQKU-UHFFFAOYSA-N 272.367 3.854 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(CC(=O)N(C)C)cc1 449041330 MIBWDQKTABBEEX-HNNXBMFYSA-N 288.435 3.864 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CSC[C@H]2C)c1 449056280 ZYALQMMXFTTZBD-IUODEOHRSA-N 263.406 3.805 30 20 CHED C[C@H](Cc1coc2ccccc12)NCCCCC#N 449133828 ZVFFLLYPXBUTME-CYBMUJFWSA-N 256.349 3.647 30 20 CHED C=CCCCC[C@@H](C)NCCC(=O)Nc1ccccc1 449137074 DIXFKEMPUNHTCA-OAHLLOKOSA-N 274.408 3.740 30 20 CHED Cc1ccc(C2(CN[C@@H]3CC[C@H](C#N)C3)CC2)c(C)c1 449381943 ZWUBMLUUANAWKW-JKSUJKDBSA-N 268.404 3.617 30 20 CHED C=C(C)CCNCc1c[nH]nc1-c1cccc(Cl)c1 449475581 LORIYKKNVKDZON-UHFFFAOYSA-N 275.783 3.786 30 20 CHED N#CCc1cccc(NC[C@H]2C[C@H]2c2ccccc2)c1 449698241 MXJJOJPKDRFALV-AEFFLSMTSA-N 262.356 3.968 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(NC2CCCC2)c1 449847922 CNRIKRUONXTTKI-SJCJKPOMSA-N 283.375 3.529 30 20 CHED CCc1ccc2nccc(N3CCC(F)(C#N)CC3)c2c1 450527894 INMSTCLJTRIMGZ-UHFFFAOYSA-N 283.350 3.629 30 20 CHED C=CCCC(=O)COc1ccc(C(F)(F)F)cc1F 450930568 KNZCBLOOXHTYTM-UHFFFAOYSA-N 276.229 3.759 30 20 CHED C=CCCN(C)C(=O)c1ccc(C(F)(F)F)cc1C 451058128 GDYYAHJTLZBQCA-UHFFFAOYSA-N 271.282 3.662 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2ccc(C)nc2)cn1 452154444 VNSJKJOGHZFEMX-SFHVURJKSA-N 295.386 3.993 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@@H](c2ccncc2)C1)C1CC1 453341745 IFGAONZNSRLYRM-FGTMMUONSA-N 286.419 3.636 30 20 CHED C=C(CC)CN[C@@H](c1ccc(Cl)cc1)c1nccn1C 453367284 PXWHWNNBPWTPSH-HNNXBMFYSA-N 289.810 3.719 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(C)nc2C(C)C)n1 453596613 XFQQWOBMODQGNN-CYBMUJFWSA-N 299.399 3.768 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1CCc1ccccc1 455308672 JYRXQZFFYOPQCN-KRWDZBQOSA-N 286.419 3.759 30 20 CHED C=C(C)CCNC(=O)N1CC=C(c2cccc(C)c2)CC1 455310029 CPWWPBPUGWEMID-UHFFFAOYSA-N 284.403 3.760 30 20 CHED C=CCC1(NC(=O)c2cc(C(C)C)on2)CCCCC1 456364473 JTFBBGAAMVVBPI-UHFFFAOYSA-N 276.380 3.807 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2nc3c(s2)CCC3)CC1 457911494 GALXLDUCTMYDEW-LLVKDONJSA-N 290.432 3.555 30 20 CHED CCc1ccc(C(C)(C)C(=O)NCC(C)(C)CC#N)cc1 457987596 BIBVOIGFPSDANE-UHFFFAOYSA-N 286.419 3.583 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@H](c1ccccc1)C1CC1 458793159 MOYRRYZIJVGVAN-QGZVFWFLSA-N 286.419 3.788 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 459315142 QJCPNRNCOJXNLC-SQNIBIBYSA-N 298.430 3.963 30 20 CHED CC(C)(CC#N)CN[C@H]1CCC[C@@H](C(F)(F)F)C1 459727570 HENGBTCRTMYHLJ-MNOVXSKESA-N 262.319 3.637 30 20 CHED CC#CCCSCc1cc(C(C)=O)ccc1OCC 462370591 CTXDSAHUSJGHIP-UHFFFAOYSA-N 276.401 3.935 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C#N)C(C)(C)C 464711270 OOUYDDGKHLJWOG-CQSZACIVSA-N 288.416 3.633 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@H]1CC 466379011 URTFLTYVWQTILA-ILXRZTDVSA-N 266.429 3.951 30 20 CHED C=CCc1cc(CNC[C@H]2CCC[C@@H]2C)cc(OC)c1O 466422798 AGKRZUGLZZMKOR-XJKSGUPXSA-N 289.419 3.655 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(NC(=O)CC)ccc1C 468107684 HFHLYGDPMNVGEO-KRWDZBQOSA-N 288.391 3.884 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccc(C#N)s1 468893528 IBOQZRLHJGAGMF-UHFFFAOYSA-N 264.394 3.566 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(F)ccc1C#N 468952388 LIXQAEFLLVGUJV-IIYDPXPESA-N 272.367 3.850 30 20 CHED C=CC[C@@H]1N(C(=O)C2C[C@H](C)O[C@@H](C)C2)CCCC1(C)C 470283454 DLYQLCGTZFFXJU-DZKIICNBSA-N 293.451 3.783 30 20 CHED C=CCC[C@H](O)CN(Cc1ccccc1)[C@@H](C)CC 472778827 OLOPBPYKJRIZDS-RDJZCZTQSA-N 261.409 3.614 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)CSc1ccc(C)cc1 472877609 QPDIPBZKTRCXBP-KGLIPLIRSA-N 292.448 3.739 30 20 CHED C=C(C)CN(C)C(=O)CCc1ccc(CC(C)C)cc1 479289465 YMYRNOHUZWGRLS-UHFFFAOYSA-N 273.420 3.852 30 20 CHED C=CCCCCNC(=O)Cc1cccc(Cl)c1OCC 480436058 MEXXVYTWLVTAJB-UHFFFAOYSA-N 295.810 3.754 30 20 CHED N#Cc1ncccc1NC[C@H]1CCCCC(F)(F)C1 488429580 MKFLVEHCSYNUQR-NSHDSACASA-N 265.307 3.581 30 20 CHED C=C(CN[C@H]1CS[C@@H](C(C)C)C1)c1ccccc1 488435031 QYIHAVMMIWYBDF-HZPDHXFCSA-N 261.434 3.820 30 20 CHED Cc1cc(CN(C)CCc2cccs2)ccc1C#N 488465816 VFBSXEKNRXSZJY-UHFFFAOYSA-N 270.401 3.603 30 20 CHED C=CCC[C@H](C(=O)N1CCC(C)CC1)c1ccccc1 489533214 XJMRHHRNQJXAHJ-KRWDZBQOSA-N 271.404 3.995 30 20 CHED Cc1cc([C@@H](C#N)C(=O)c2cccc(Cl)c2C)nc(C)n1 489882321 HBXUUQDWOQBCTK-CYBMUJFWSA-N 299.761 3.545 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1CCC(C)(C)CC1 490601119 MAAFLWCFDFPNAF-UHFFFAOYSA-N 286.375 3.722 30 20 CHED C#C[C@@H](C)N(C)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 491286660 IZOLSOXAQSMSJM-NWDGAFQWSA-N 297.320 3.679 30 20 CHED C#C[C@H](C)N(C)C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 491670990 PSWYTPOKQFOJOI-ULQDDVLXSA-N 293.451 3.622 30 20 CHED CC[C@H](C(=O)Nc1cc(C#N)ccc1OC)c1ccccc1 494141766 RTZBFKNKARVZJG-HNNXBMFYSA-N 294.354 3.699 30 20 CHED N#Cc1ccc(SCCOc2cccc(Cl)c2)nc1 495267763 MVXSXWWDTHVJKC-UHFFFAOYSA-N 290.775 3.778 30 20 CHED COC(=O)Nc1cccc(NCc2ccc(C#N)cc2)c1C 497056630 SLXORGYABOCLMD-UHFFFAOYSA-N 295.342 3.657 30 20 CHED C=CCN(CCc1ccco1)C(=O)NCC1(CCC)CC1 498269157 ZJFMKXWNWCCVJL-UHFFFAOYSA-N 290.407 3.600 30 20 CHED C=CCc1cc(CN2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O 505343797 MMGSGXIDBRNEDC-ZIAGYGMSSA-N 289.419 3.607 30 20 CHED CC(C)[C@H](C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 505540655 QOPYVDRQGCLXRW-CABZTGNLSA-N 299.201 3.966 30 20 CHED CC(C)CC(CC(C)C)Nc1ncc([N+](=O)[O-])cc1C#N 505604614 BUODOPNNNFFREU-UHFFFAOYSA-N 290.367 3.734 30 20 CHED C[C@H](CCNC(=O)CC(C)(C)C#N)CC(C)(C)C 507545283 FBHFYWJZJDKLNA-GFCCVEGCSA-N 252.402 3.505 30 20 CHED C=CC1CCN(Cc2conc2Cc2ccccc2)CC1 508520479 OZAAECDZTLQBIP-UHFFFAOYSA-N 282.387 3.663 30 20 CHED C=C(C)CCc1noc([C@H](C)c2ccccc2F)n1 508616783 XACYHMWEHBCEIB-LLVKDONJSA-N 260.312 3.869 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccc(Cl)s1 511323927 OZBCXUQZGXIGTI-JTQLQIEISA-N 269.797 3.511 30 20 CHED C=CCOc1cccc(CN[C@@H]2c3ccccc3O[C@@H]2C)c1 516209667 HBUBGGXSQQUNGA-KUHUBIRLSA-N 295.382 3.863 30 20 CHED C=CCCCNC(=O)NCc1ccc2sccc2c1 516359087 BXQWWRUVNKTFPW-UHFFFAOYSA-N 274.389 3.667 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1[C@@H](C2CC2)[C@H]1C 527783741 RZABVOIAFJEAMI-KCPJHIHWSA-N 275.417 3.555 30 20 CHED CCC(C#N)(CC)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 528156811 GUTNVLIEBCZQOH-HNNXBMFYSA-N 284.403 3.926 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)Nc1cc(CC#N)ccn1 531924590 KKTHDWDIAWXDMJ-MRXNPFEDSA-N 299.418 3.939 30 20 CHED CC[C@@H](C)n1ncc(Nc2cccc(C#N)n2)c1C1CC1 534980037 MYDRILUCBWHNJF-LLVKDONJSA-N 281.363 3.742 30 20 CHED C[C@@H]1C[C@@H](C)N(Cc2cccc(OCCCC#N)c2)C1 536681490 JQOHSNPQNMMRHI-HUUCEWRRSA-N 272.392 3.599 30 20 CHED C=CCN(C(=O)CCCCc1ccc(C)cc1)C1CC1 537932694 UAGHDAUFGBLRTN-UHFFFAOYSA-N 271.404 3.885 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CC[C@H](C)SC 540212535 NNGNLSGSSBXGIS-HNNXBMFYSA-N 291.460 3.775 30 20 CHED CO[C@]1(C)C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1(C)C 540708252 PJWQDYCDGOPJQK-RGYTYGDFSA-N 290.382 3.552 30 20 CHED N#Cc1cc(C(=O)NC2CCC(F)(F)CC2)ccc1Cl 542522863 NKDZBURKVMJLBG-UHFFFAOYSA-N 298.720 3.519 30 20 CHED C=CC[C@H](CC)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 545271816 KMYRWSRXGSQKEC-NEWSRXKRSA-N 286.463 3.841 30 20 CHED C[C@@]1(NC(=O)c2cc(C#N)cs2)CCCc2ccccc21 546537027 JEEDDDOALHLFCO-QGZVFWFLSA-N 296.395 3.601 30 20 CHED C=CCC(C)(C)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 551240237 GNDPWDFPWZRISN-RBSFLKMASA-N 263.425 3.526 30 20 CHED C=CCN(C)C(=O)NCCCCc1ccc(Cl)s1 551299719 RFZNMWPSTHREBF-UHFFFAOYSA-N 286.828 3.552 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)CCC1CC1 555063670 XUXYXXRCCQHXQE-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CCCCc1nc(Cc2cc(Cl)ccc2OC)no1 562799807 JCAKMWCCQPUYOR-UHFFFAOYSA-N 292.766 3.831 30 20 CHED COc1nc2ccccc2cc1CNCC(C)(C)CCC#N 565797259 OBNPKRYKCTZILI-UHFFFAOYSA-N 297.402 3.663 30 20 CHED N#Cc1ccc(CNC2(c3ccccc3)CCCC2)nc1 568104032 WZQBHOZDCCWWBP-UHFFFAOYSA-N 277.371 3.512 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 568852370 QYZODSTYVSFGBE-YJBOKZPZSA-N 298.430 3.943 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2scc(C)c2C#N)C1 569137123 HHQJEZHSHWXRLH-GFCCVEGCSA-N 291.420 3.972 30 20 CHED Cc1nc2ccccc2cc1OCCC(C)(C)C#N 569972827 MOWZPHPYOJMZKE-UHFFFAOYSA-N 254.333 3.862 30 20 CHED C[C@H](Cc1ccsc1)N1CCCC(C)(C)[C@@H]1C#N 570664852 CDYXSAFHCMVDGX-OCCSQVGLSA-N 262.422 3.693 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CC12CCCC2 571267558 XXCAABYKVZEPHB-IRXDYDNUSA-N 294.398 3.632 30 20 CHED CC[C@](C)(C#N)NC(=O)C(CC(C)C)CC(C)C 571986013 JJGHHTIPJCLNHF-OAHLLOKOSA-N 252.402 3.503 30 20 CHED C=CCN(C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1)C1CC1 577899345 QZZMXLCTOVRBEX-KGLIPLIRSA-N 278.440 3.951 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)Cc1ccc(C#N)cn1 578903411 GICPOHJISRVZAJ-GOSISDBHSA-N 279.387 3.782 30 20 CHED Cc1cn(Cc2csc(-c3ccc(F)cc3)n2)cc1C#N 580926757 VBBISCQQDMRJMR-UHFFFAOYSA-N 297.358 3.979 30 20 CHED N#C[C@H](c1ccc(Cl)cc1)N1C[C@H]2CCC[C@H]2C1 585719628 FUBKDYPESAVUGI-VNHYZAJKSA-N 260.768 3.637 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1occc1C 588386655 RZPGBCDEBFIGHC-FPLPWBNLSA-N 272.300 3.501 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)CCCCCC#N 588654475 TZTUQKBOUGJTIH-QGZVFWFLSA-N 284.403 3.996 30 20 CHED N#Cc1ccccc1/C=C\c1nc(CC2CCCC2)no1 590280742 MVUIPQYWSPFOAK-KTKRTIGZSA-N 279.343 3.844 30 20 CHED Cc1ccncc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C#N 591153415 LKRQOZPJFWSORT-GFCCVEGCSA-N 296.330 3.651 30 20 CHED CC[C@@H](C#N)C(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl 593415871 KKFXRSUCAVSNHI-RYUDHWBXSA-N 290.794 3.942 30 20 CHED CC[C@@H](C#N)C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 593481862 LMEZVCLXJUOBRB-DOTOQJQBSA-N 284.403 3.989 30 20 CHED N#CCCCOc1cccc(CN2CCCC(F)(F)C2)c1 593655860 DMQWCALKKFZPDW-UHFFFAOYSA-N 294.345 3.600 30 20 CHED CC[C@H](N[C@@H](C)Cc1ccccn1)c1ccc(C#N)cc1 594514477 IZSGEROPBYBBND-KSSFIOAISA-N 279.387 3.625 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1(CC(C)C)CC1 596708955 RPTSBXLBVVWCEE-UHFFFAOYSA-N 271.364 3.567 30 20 CHED CC(C)[C@@H]1N(C(=O)CC2(C#N)CCCCC2)CC12CCC2 597684070 MWQFZSCWCBHSCI-INIZCTEOSA-N 288.435 3.888 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1cnn(CCF)c1 599069279 DYVACPRKVZQRGO-KRWDZBQOSA-N 298.365 3.604 30 20 CHED C=C(CC)CS[C@@H]1CCN(C2CCCCC2)C1=O 600625547 OJJGCTKOCYAZHI-CQSZACIVSA-N 267.438 3.619 30 20 CHED N#CCc1ccccc1C(=O)N1CCC(C2CCCC2)CC1 601256168 KPUDCULBHVGAKW-UHFFFAOYSA-N 296.414 3.795 30 20 CHED C[C@@H](NC(=O)c1ccccc1CC#N)[C@H](C)c1ccccc1 601273266 RYHOXGPMPXUBKG-LSDHHAIUSA-N 292.382 3.675 30 20 CHED C[C@@H](C#N)Cn1nc(C(F)(F)F)cc1-c1ccccc1F 601930779 CNUNLOFKWYNATD-VIFPVBQESA-N 297.255 3.868 30 20 CHED C[C@H](CCC#N)CN(C)Cc1ccc(Cl)c(F)c1 602479962 CQBQKZBCVIGHEW-LLVKDONJSA-N 268.763 3.851 30 20 CHED Cc1ccc(C[C@H](C)NC[C@@H](C)CCC#N)c(C)c1 602545704 NYUMBAWOZNEKJH-HOCLYGCPSA-N 258.409 3.764 30 20 CHED C[C@H](CCC#N)CN1C[C@@H]2CCCCN2c2ccccc21 602677090 SDRFCHQRRIJYCH-CVEARBPZSA-N 283.419 3.805 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC2CCN(CC#N)CC2)CC1 610958722 GYUJHHFBTQNVEO-HZPDHXFCSA-N 291.483 3.559 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc(C#N)cc1F 611541224 HZNXMNUSBDBRFZ-ONGXEEELSA-N 286.272 3.865 30 20 CHED CCCc1ccccc1NC(=O)N1CCC[C@](C)(C#N)C1 612295324 KOVOMVFDCRZDBT-QGZVFWFLSA-N 285.391 3.797 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(C#N)c1 613281385 PQCTYYWMDCDHHR-NSHDSACASA-N 292.298 3.511 30 20 CHED C=CCC1(NC(=O)CCc2ccc(C)s2)CCCC1 619110711 NXELNJUULRFXIN-UHFFFAOYSA-N 277.433 3.994 30 20 CHED C=CCC1(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CCCC1 619112162 VNCCJAKMXNHDQP-QLFBSQMISA-N 259.393 3.594 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnn(CCC(C)C)c1C 620857720 HERTVMLGJAIFGM-UHFFFAOYSA-N 291.439 3.712 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](CC)CCc1ccccc1 628609990 NDFRJNBRRAWFHZ-HNNXBMFYSA-N 259.393 3.726 30 20 CHED C=CC(C)(C)C(=O)Nc1nc2ccccc2n1C1CC1 649232368 IXBQYAIXZOYRCF-UHFFFAOYSA-N 269.348 3.522 30 20 CHED N#Cc1c(F)cccc1S[C@H]1CCCCCC1=O 657261229 YUKCNLNNUPFQQJ-AWEZNQCLSA-N 263.337 3.691 30 20 CHED C=CCC1(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)CCOCC1 657632128 ACVZGNLDXWOJMN-JSRQGNBESA-N 275.436 3.526 30 20 CHED C=CCC1(NCc2cc3c(C)cccc3[nH]2)CCOCC1 657635130 WVENTEYIPRMXLV-UHFFFAOYSA-N 284.403 3.691 30 20 CHED C=CCC1(NC[C@H](OC)c2ccccc2)CCCC1 661851464 VLSYPYATFVPZOE-INIZCTEOSA-N 259.393 3.853 30 20 CHED C=CCC[C@@H](C(=O)NC[C@H](C)C1CC1)c1ccccc1 681654296 LGSFCHOMXJDQGU-WMLDXEAASA-N 271.404 3.899 30 20 CHED C#CC1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 692381257 NDHZIFWPGCGYJF-UHFFFAOYSA-N 287.359 3.526 30 20 CHED C[C@@H](NC1CC2(CCC2)C1)c1ccc(OCC#N)cc1 697709416 KIJGMXFGZUOZKF-CYBMUJFWSA-N 270.376 3.572 30 20 CHED C#C[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C(C)(C)C 702238996 HBQMREHBBQNKJB-STQMWFEESA-N 251.414 3.613 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc(F)ccc2Cl)c1 720291996 GNVHHHMAGUNIPK-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C#CCCOC(=O)c1ccccc1Oc1ccccc1 727041587 DPHXNBYSVBRITK-UHFFFAOYSA-N 266.296 3.659 30 20 CHED Cc1ccccc1CCC(=O)OCc1ccc(F)cc1C#N 729012407 PEVLIIATUKHQKC-UHFFFAOYSA-N 297.329 3.682 30 20 CHED C[C@@H](C(=O)OCc1ccccc1C#N)c1ccccc1F 731391548 RCUGYJNULSBDFU-GFCCVEGCSA-N 283.302 3.544 30 20 CHED CCCCC(CC)=NNc1ccc([N+](=O)[O-])cc1OC 732924603 ACUUTTOPTXWAPC-UHFFFAOYSA-N 279.340 3.972 30 20 CHED C=CC[C@H](NC(=O)/C=C\c1cccs1)c1ccncc1 734235193 YHZIADNRZGOYKK-XHPSBEMXSA-N 284.384 3.590 30 20 CHED C=CC[C@@H](NC(=O)CSc1ccccc1)c1ccncc1 734360947 OPABMHSSLXWHOY-MRXNPFEDSA-N 298.411 3.607 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc2c(c1)OCO2 735614757 AYEHYPZNTSTECO-UHFFFAOYSA-N 290.269 3.530 30 20 CHED FC(F)(F)c1cccc(NN=C2CCc3ccccc32)n1 739421164 DXIPAESBUBGWFG-UHFFFAOYSA-N 291.276 3.863 30 20 CHED C/C(=C/C(=O)N(C)c1cccc(C#N)c1)C(C)(C)C 742582077 DSYGWIOCRFEBHJ-XFXZXTDPSA-N 256.349 3.513 30 20 CHED C=C(Br)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 743854331 UHFDEICOENITMP-GRYCIOLGSA-N 258.203 3.548 30 20 CHED C=C(C)CCOC(=O)CCOc1ccc(C)c(C)c1 744304362 SCJPVNVODCVJPT-UHFFFAOYSA-N 262.349 3.582 30 20 CHED CCC(=NN=C(C)c1cnccn1)c1ccc(Cl)s1 745206783 PZUUZEWHRPROLI-UHFFFAOYSA-N 292.795 3.815 30 20 CHED C[C@@H](C#N)OC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 747024053 ISQVWSGPNHTABW-JGVFFNPUSA-N 272.131 3.552 30 20 CHED COCCON=Cc1c(Cl)ccc(Cl)c1Cl 748789643 MPZVKPDDYGTUEZ-UHFFFAOYSA-N 282.554 3.644 30 20 CHED O=C1/C(=C\c2ccccc2F)Oc2ccc(F)cc21 749744858 AAYGCYFHFPQCFV-VGOFMYFVSA-N 258.223 3.581 30 20 CHED Clc1cc(Cl)c(NN=Cc2cnc[nH]2)c(Cl)c1 755466013 SFSTWEOJGNXHJX-UHFFFAOYSA-N 289.553 3.816 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)cc1 755568707 CYOGHOLLFWRTRF-FARCUNLSSA-N 274.266 3.870 30 20 CHED C=CCOc1ccc(C(=O)O[C@H](C)c2ccncc2)cc1 757687760 OFFWQNHXFHYCRY-CYBMUJFWSA-N 283.327 3.564 30 20 CHED C=C[C@@H](CC(=O)Oc1cccc([N+](=O)[O-])c1)c1ccccc1 758143222 CFNQYYDDFKGCSF-ZDUSSCGKSA-N 297.310 3.860 30 20 CHED C=CC[C@H](NC(=O)NCC1(CCC)CC1)c1ccncc1 760171589 UNYHZOYDNJUTPN-HNNXBMFYSA-N 287.407 3.578 30 20 CHED Cc1cc(C)nc(NN=C2CCCC[C@@H]2C(C)C)n1 764639485 HOBUGSSPXNXLFN-CYBMUJFWSA-N 260.385 3.708 30 20 CHED Fc1ccc(C=NNCc2ccc(Cl)cc2)c(F)c1 764716280 PQJDOLPHMRVWAN-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C=CCCCOC(=O)CCc1cncc2ccccc12 765567457 UKXRMQDIUGSCIC-UHFFFAOYSA-N 269.344 3.677 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)/C=C/c1ccc2[nH]ccc2c1 765629762 FBTNBPZDBQKACJ-KEDPEKRHSA-N 282.343 3.663 30 20 CHED C#CC[C@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)C1CC1 765961334 YFHDBPJHPLFWCP-OOYWPUHTSA-N 279.339 3.526 30 20 CHED C#CCCCN[C@H](Cc1cccc(OC)c1)c1ccccc1 766222186 IHZOPPKECJGAJS-HXUWFJFHSA-N 293.410 3.982 30 20 CHED C=CC[C@H](N[C@H](C)c1cscn1)c1ccncc1 768103581 HFJYEGIJFDKDMJ-YPMHNXCESA-N 259.378 3.506 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(F)c(F)c1 768407842 WGFUHIQJIZXTSM-UHFFFAOYSA-N 281.302 3.842 30 20 CHED C=CCCCCNC(=S)N[C@@H](C)c1cccs1 769759774 FMGLRUKPRZDAMB-NSHDSACASA-N 268.451 3.630 30 20 CHED CC(=NNCC(F)(F)F)c1ccc(Cl)c(Cl)c1 769815147 QZYVTAJZMMCECO-UHFFFAOYSA-N 285.096 3.869 30 20 CHED Fc1ccc(F)c(CNN=Cc2cscc2Cl)c1 771876719 CFMVJOCNOJAQNZ-UHFFFAOYSA-N 286.734 3.803 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2C[C@]2(C)C(C)C)c1 772965647 APRFGAHKLMNQGQ-FUHWJXTLSA-N 269.388 3.703 30 20 CHED C=C(C)COCCN[C@H](CC)c1ccc2c(c1)CCCO2 773059932 OKJZVVCKYFCJNO-QGZVFWFLSA-N 289.419 3.645 30 20 CHED Cc1ccc(CCC=NNc2ccc(F)cc2C)cn1 774395030 PYSNXTFWNGHKDZ-UHFFFAOYSA-N 271.339 3.868 30 20 CHED CCCC[C@@H](CC)C(=O)OCc1cccc(C#N)c1F 774920671 DJQJOFIWAASVHQ-GFCCVEGCSA-N 277.339 3.957 30 20 CHED C[C@H](CCO)C1(C/N=C/c2cc(Cl)ccc2O)CCC1 775632404 YNHKCCLTKIIINZ-SGEFVQMOSA-N 295.810 3.653 30 20 CHED CC[C@H](C)Oc1cc(C/N=C/c2ccccc2O)ccn1 776725406 LYJSVBNWTABTMW-HTMJNSLASA-N 284.359 3.584 30 20 CHED COc1cc(F)cc(NN=CCCc2cnccc2C)c1 776726980 XNNDPRYUWSESPG-UHFFFAOYSA-N 287.338 3.568 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1coc(C2CC2)n1 776744004 YFESOJSBENTGMX-UHFFFAOYSA-N 299.326 3.508 30 20 CHED C=CCSc1ccccc1C(=O)OCCCCC(C)=O 777076075 QAIIDBPICDTDFP-UHFFFAOYSA-N 292.400 3.881 30 20 CHED CC(C)(C)n1cc(N[C@@H]2CCCc3cc(C#N)ccc32)cn1 777274011 HQMQVRISOFZGBW-QGZVFWFLSA-N 294.402 3.999 30 20 CHED Cc1nc2c(s1)C(=NOC1CCCCC1)CCC2 777458595 HMJGXXYMJBLWTB-UHFFFAOYSA-N 264.394 3.841 30 20 CHED FC(F)C(Cc1ccccc1)=NOCCC(F)(F)F 777460103 VBRQEKFMAJUYSS-UHFFFAOYSA-N 281.224 3.819 30 20 CHED Brc1ccc(C=NOC2CCCCC2)nc1 777460415 XCMAQBOERASPEX-UHFFFAOYSA-N 283.169 3.527 30 20 CHED FC(F)(F)CCON=C(Cc1ccccc1)C1CC1 777463054 XTQKQCWYZDUQSU-UHFFFAOYSA-N 271.282 3.964 30 20 CHED Clc1ccnc(NN=C[C@H]2C[C@H]2c2ccccc2)c1 777905697 KGEJDWYSECYJSX-OCCSQVGLSA-N 271.751 3.936 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc([N+](=O)[O-])cc1F)C2 777916901 SKMSKPREQRSHKD-JYRVWZFOSA-N 297.285 3.865 30 20 CHED C#CCCCCCC(=O)Oc1ccc(C(=O)CC)cc1 779715627 MEEDSNGNWMILBF-UHFFFAOYSA-N 272.344 3.768 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc(S[C@@H](C#N)CC)c1 781194132 GZAJNLIVSGLGLO-CHWSQXEVSA-N 288.372 3.540 30 20 CHED CO[C@@H](C(C)=NNc1cccc(C(=O)O)c1)c1ccccc1 782112465 ZRFVVGAYWRSAHE-INIZCTEOSA-N 298.342 3.560 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccccc1Cl 782197634 UYFBCFMAAOZTNZ-HNNXBMFYSA-N 282.767 3.612 30 20 CHED Cc1cccc(C(=O)/C=C\c2cc(C(=O)O)cs2)c1 782200504 RWKYOTQXCSMGPY-WAYWQWQTSA-N 272.325 3.651 30 20 CHED CC(C)(C)CCNN=Cc1c(F)cccc1Cl 782908235 SWZXACBZVHXMIP-UHFFFAOYSA-N 256.752 3.839 30 20 CHED CC(=NOCCC1CC1)c1ccc(NC(=O)C2CC2)cc1 783556183 KJBHIHKAQUWEQX-UHFFFAOYSA-N 286.375 3.576 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1ccc(F)cc1Cl 784216931 BNNKRWJYBMABIK-UHFFFAOYSA-N 297.757 3.895 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc(SC)cc1 785766366 BNVFIFDXGJQSOW-INIZCTEOSA-N 292.400 3.737 30 20 CHED Cn1c(NN=C2CCC23CCCC3)nnc1-c1ccccc1 788712081 MPLKVWJSVZYOJC-UHFFFAOYSA-N 295.390 3.604 30 20 CHED c1ccc(CCNN=C2c3ccccc3-c3ccccc32)nc1 789125211 UCNHWUKYJHLUFE-UHFFFAOYSA-N 299.377 3.647 30 20 CHED CCOC1(C(=O)OCCCCC(C)(C)C#N)CCCC1 792822731 CYFMBANLQAUJHG-UHFFFAOYSA-N 281.396 3.599 30 20 CHED C=CCCCCC[C@H](C)NCc1ccc(-n2ccnc2)nc1 793524900 MANQGVHCKAFMRY-INIZCTEOSA-N 298.434 3.882 30 20 CHED CSCCON=CC1CCC(C(F)(F)F)CC1 794573982 QIPLSPJUIWIUME-UHFFFAOYSA-N 269.332 3.721 30 20 CHED CSCc1ccc(C/N=C/c2cccc(O)c2O)cc1 794676277 LDTHUZTXEBRZPA-LICLKQGHSA-N 287.384 3.580 30 20 CHED CN(C)c1ccccc1CNN=Cc1ccccc1Cl 794952371 OUGSVSJNRJETFA-UHFFFAOYSA-N 287.794 3.530 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1cccc(C#N)c1 796328394 JZIOTRDPIBLZDJ-MRXNPFEDSA-N 259.349 3.818 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(C(=O)CC)cc1F 796979892 CSSLYCIOQPUPBJ-UHFFFAOYSA-N 278.323 3.926 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)CCCCCC 798037028 URWYRDYMEDFIFA-XHSDSOJGSA-N 281.440 3.690 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCCCCCC 798071962 RXOQHVKHSSPCCH-JKSUJKDBSA-N 296.455 3.627 30 20 CHED Cn1cnc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c1 798232149 OOPTZTJFEBITRD-QXMHVHEDSA-N 288.350 3.983 30 20 CHED FCCC[C@H]1CCCC1=NOCc1cccnc1 800814137 JCWXDBHIXYXGPC-CYBMUJFWSA-N 250.317 3.504 30 20 CHED COC(=O)c1ccccc1NN=C[C@@H](C)C(C)(C)C 800815180 OLBJXWRLSYAHDB-LLVKDONJSA-N 262.353 3.553 30 20 CHED CC#CC(=O)N(CCC)[C@H](CCC)Cc1ccccc1 801149191 ZKMVIQPPNLSOOH-QGZVFWFLSA-N 271.404 3.660 30 20 CHED C[C@@H](C#N)OCCN1C[C@@H](c2ccccc2)c2ccccc21 801949046 AOKDPPJYBNSXIY-YJBOKZPZSA-N 292.382 3.567 30 20 CHED C=CCCCCCCNS(=O)(=O)Cc1cccc(C)c1 805104538 VJSDZVKODVMWRO-UHFFFAOYSA-N 295.448 3.551 30 20 CHED C=CCCCCCCNC(=O)NCc1ncc(CC)s1 805161087 MMNSYGLXJDJJKE-UHFFFAOYSA-N 295.452 3.641 30 20 CHED C=CCCCCCCNC(=O)CCn1cnc2ccccc21 805221007 IZRPVSXOSSQBMZ-UHFFFAOYSA-N 299.418 3.679 30 20 CHED C#Cc1cncc(C(=O)N[C@H](CCC=C)c2ccccc2)c1 807112702 BLQIXVWTPJUPRX-GOSISDBHSA-N 290.366 3.500 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cncc(C(F)(F)F)c1 808821381 GJVVMJUJYKJZLR-CYBMUJFWSA-N 287.281 3.746 30 20 CHED Cc1cccc2cc(C(=O)O[C@@H](C)CC#N)sc12 808986531 RLBIQTQJCAIUKI-JTQLQIEISA-N 259.330 3.669 30 20 CHED C=CCCCCOC(=O)[C@@H](C)CC(=O)c1ccccc1F 811011814 NIRZOOBAYJSJDW-ZDUSSCGKSA-N 292.350 3.934 30 20 CHED CC(=NNC[C@@H]1CCSC1)[C@@H](C)c1ccccc1 811660184 IMGBHUUYZFZBPH-OCCSQVGLSA-N 262.422 3.509 30 20 CHED C=CCCCCCCCN1C(=O)[C@@H]2C[C@H](C)CCN2C1=O 811841544 KMPQCDGVCYZUQF-CABCVRRESA-N 292.423 3.576 30 20 CHED C#Cc1ccccc1CC(=O)NC(C)(C)CC(C)(C)C 811873889 DJHMFYHCYZDWOB-UHFFFAOYSA-N 271.404 3.541 30 20 CHED CCCCCCC[C@H](C)CNC(=O)CC1CCN(C)CC1 813419614 DOVJMONJIOUPQF-INIZCTEOSA-N 296.499 3.831 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1c[nH]nc1C 814690218 YQHNYIOHYBEFDC-UHFFFAOYSA-N 282.269 3.573 30 20 CHED CC(=NOC1CCCC1)[C@H](C)CCCCC(=O)O 814894083 IWAFYRWCMLEGCO-LLVKDONJSA-N 255.358 3.603 30 20 CHED CCOc1ccc(NN=C2C[C@](C)(OC)C2(C)C)cc1 814985021 PDOJJZFQGXSDLS-INIZCTEOSA-N 276.380 3.688 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccc(OCC2CC2)cc1 815147412 VWSNCKXOXDDSDG-UHFFFAOYSA-N 282.286 3.592 30 20 CHED C#C[C@H](NC(=O)N(CC)C(CC)CC)c1ccccc1 820590229 CQORVENNZANNLL-INIZCTEOSA-N 272.392 3.581 30 20 CHED CN(CCSCC1(C#N)CCCC1)Cc1ccccc1 821085073 WAQYXOXFTXWBDE-UHFFFAOYSA-N 288.460 3.936 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CSC(F)F 823272193 KZMZOSIZQPHZRN-UHFFFAOYSA-N 277.380 3.537 30 20 CHED CCCCCCCC(=O)NCCOc1cccc(C)c1 824409984 BBWDJOYJBNKCLV-UHFFFAOYSA-N 277.408 3.851 30 20 CHED O=C(C#Cc1cccs1)N1CCCCC[C@@H]1c1ccco1 826096033 WLTXJKHFIXXMDA-OAHLLOKOSA-N 299.395 3.837 30 20 CHED Cn1ncc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)c1Cl 834434340 HDGUSTJLDCJQKN-ZBQKXELDSA-N 298.773 3.773 30 20 CHED C#Cc1cccc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)c1 834903997 UQDQLFWANSVLDV-MLGOLLRUSA-N 295.357 3.851 30 20 CHED CC[C@@H](C)CC=Nn1c(S)nnc1-c1ccc(C)cc1 834923430 JGENNHRFZICLSE-LLVKDONJSA-N 288.420 3.812 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1csc(C)c1 834979231 HMYZCFHILNKSBA-UHFFFAOYSA-N 286.404 3.950 30 20 CHED C[C@]1(CC(=O)OCc2cccc(C#N)c2)CC1(Cl)Cl 835146563 HULCUOCBWCEINF-ZDUSSCGKSA-N 298.169 3.575 30 20 CHED CC(C)(C)C#CC(=O)Nc1cccc(N2CCCCC2)c1 837359024 FSECUDLSTTZLMC-UHFFFAOYSA-N 284.403 3.665 30 20 CHED C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(C#N)c1 837901774 GVHNDBNBOZHDLJ-UGSOOPFHSA-N 294.354 3.637 30 20 CHED CC(C)(C#N)CCCOC(=O)C(C)(C)C1CCC1 838157692 OFENRCPRZHLYJP-UHFFFAOYSA-N 251.370 3.686 30 20 CHED O=C(CC1CC(F)(F)C1)OCC#Cc1ccccc1Cl 838262656 CGNMFPAAOJUWFR-UHFFFAOYSA-N 298.716 3.670 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)Oc2cccc(OCC#N)c2)C1(C)C 841342904 RLMAONXARVGZIB-JKSUJKDBSA-N 299.370 3.733 30 20 CHED C#C[C@H](NC(=O)CCCc1ccc(SC)cc1)C(C)C 843591441 YZRHQBFWKMDYRA-INIZCTEOSA-N 289.444 3.505 30 20 CHED C#C[C@@H](NC(=O)CCCSC(C)(C)C)c1ccccc1 843642292 MLPCTVYKAMWUTB-OAHLLOKOSA-N 289.444 3.789 30 20 CHED C=C[C@@H](C)ON=C1CCc2[nH]c3ccc(OC)cc3c2C1 844621903 PGKNFRJNOYVLDF-LLVKDONJSA-N 284.359 3.612 30 20 CHED Cc1c(NN=C[C@@H](C)C(C)(C)C)cccc1C(=O)O 844622606 HFQGSKSJJGBUAY-SNVBAGLBSA-N 262.353 3.773 30 20 CHED N#C[C@@H](C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nc2ccccc2o1 845445980 NZOAEIJTWGFJHL-RQJABVFESA-N 292.338 3.606 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1cc(F)ccc1C#N 849847239 SWTIDGOSVLSTNT-OAHLLOKOSA-N 281.302 3.659 30 20 CHED N#CCOc1ccc(COC(=O)C2CCC3(CC2)CC3)cc1 850267422 YLHUAISWEMIRAS-UHFFFAOYSA-N 299.370 3.603 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CC[C@H](C)CC1 851206409 RTCUMPKTYBRUAR-JHJVBQTASA-N 251.370 3.684 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CC(C)(C)C1CC1 851206941 YRUWSTIPYRWRBF-NSHDSACASA-N 251.370 3.684 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1(c2ccccc2)CC1 851214293 YKRQULRMLKBOKV-ZDUSSCGKSA-N 271.360 3.590 30 20 CHED Cc1cc(O)c(CN2CCC[C@H](CC#N)C2)cc1C(C)C 853526755 YHUQFHFXWMMLPA-OAHLLOKOSA-N 286.419 3.950 30 20 CHED C=CC[C@H](NC(=O)NCCCC1CCC1)c1ccncc1 853746270 HNSUIPFPLASRDQ-INIZCTEOSA-N 287.407 3.578 30 20 CHED C/C(=C/C(C)(C)C)C(=O)Nc1nc(C)cc(C)c1C#N 857638836 AKOPXHQINKXCBY-FLIBITNWSA-N 271.364 3.501 30 20 CHED C=C(C)CN(CC)C(=O)/C=C/c1ccc(SC)s1 858420088 XTVHLKHHZDHKFK-SOFGYWHQSA-N 281.446 3.908 30 20 CHED C=CCN(C)C(=O)[C@@H](CC)c1ccc(Br)cc1 860976663 PKUAUWYQCNMJAK-ZDUSSCGKSA-N 296.208 3.587 30 20 CHED C[C@H](NN=Cc1ccsc1C(F)(F)F)C(F)(F)F 863116036 GXVPGHIOYKDKIJ-YFKPBYRVSA-N 290.232 3.641 30 20 CHED CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)CCCC#N)C1 863255476 WHZPFUZGAVZZOW-HNNXBMFYSA-N 284.403 3.932 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(C)CC(F)(F)C1 875059656 YGLQPACBTZMBCX-UHFFFAOYSA-N 285.359 3.698 30 20 CHED C=C1CCC(C(=O)Nc2c(F)cccc2-n2cccn2)CC1 888838720 AKOVPSVJUXASFI-UHFFFAOYSA-N 299.349 3.696 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)CCc2ccc(F)cc21 899367025 UIMHKIMHAOMXAD-RIYZIHGNSA-N 296.345 3.960 30 20 CHED CC[C@@H](NCc1ccc2c(c1)OCO2)c1cccc(C#N)c1 902721169 VJXNMLMPOIMCFI-MRXNPFEDSA-N 294.354 3.528 30 20 CHED CC[C@H](N[C@H](C)c1nnc(C)s1)c1cccc(C#N)c1 902951607 OKSQHAWEWCPAGI-YGRLFVJLSA-N 286.404 3.520 30 20 CHED C=C[C@@H](CC(=O)Nc1nccnc1C1CC1)c1ccccc1 906421960 WHLQCNRFUHPSPG-ZDUSSCGKSA-N 293.370 3.652 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)CCc1ccco1 911737128 ZGGLQFJIJNNEPI-GJZGRUSLSA-N 290.407 3.741 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccccc2)ccc1OC 916134367 PPUGGOHJTJFXOY-LUAWRHEFSA-N 282.339 3.990 30 20 CHED C=CCN(C(=O)Nc1ccc2ncsc2c1)C(C)C 916709510 UWOKHUWYJAHJCU-UHFFFAOYSA-N 275.377 3.725 30 20 CHED CCCOc1cccc(C(=O)OCc2ccccc2C#N)c1 917280750 JDUYYVBUQFDTDT-UHFFFAOYSA-N 295.338 3.704 30 20 CHED Cc1ccc(N(C)CCOc2ccccc2C#N)cc1C 918739608 QJOSVEWDOGEASY-UHFFFAOYSA-N 280.371 3.690 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCCOc2ccc(F)cc21 920174777 QBZDQBUFXUVSTO-MXDDHBLUSA-N 285.318 3.864 30 20 CHED CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)CC(C)(C)C#N)CCC2 926183362 MGPZYNRLNQJXGV-ZFWWWQNUSA-N 288.439 3.759 30 20 CHED CCO[C@@H](CN[C@@H](C)CC(C)(C)C#N)c1ccccc1 926299740 QDMDLLWIHBCIMW-HOCLYGCPSA-N 274.408 3.682 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H](c2ccccc2)C1 931141473 DYFZJRHDENZNCO-ZBFHGGJFSA-N 257.377 3.605 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](C#N)C(C)(C)C 934232345 FBAGWIXEERLEOJ-LBPRGKRZSA-N 276.380 3.554 30 20 CHED N#Cc1cc(C(=O)N(CC2CC2)c2ccccc2)cs1 1117756879 QODPBLGPHCXDFT-UHFFFAOYSA-N 282.368 3.677 30 20 CHED N#Cc1nc(N2CC[C@H]3CCCC[C@@H]3C2)sc1Cl 1118578098 BGBVVJPGMWFYNI-NXEZZACHSA-N 281.812 3.685 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1(C(C)(F)F)CC1 1118713286 XQFTVWTZWOMJMQ-AWEZNQCLSA-N 293.357 3.725 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(C#N)c1 1125865816 JBGPWINLBUXFRF-RHSMWYFYSA-N 284.403 3.955 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C)c(C#N)c1 1127096655 PQDFKWQXPSSFFD-YOEHRIQHSA-N 284.403 3.908 30 20 CHED CC(C)c1ccc(C(=O)Nc2cccc(CC#N)c2)cn1 1128982328 MELCCVQLNKVSRO-UHFFFAOYSA-N 279.343 3.523 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 1155481464 MDMDQUFUWGGNRO-HALDLXJZSA-N 297.402 3.755 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccccc1C 1155486685 GMFJOJPKZGNYBD-CYBMUJFWSA-N 293.370 3.651 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)c1cc(C)c(C#N)cn1 1162786408 IHEVQAXXPAAFID-DZGCQCFKSA-N 257.381 3.667 30 20 CHED Cc1nccnc1CSc1ccc(Cl)cc1C#N 1165765029 ZAWBSNNDCMSPEX-UHFFFAOYSA-N 275.764 3.602 30 20 CHED CC1(C)CCc2ccccc2[C@@H](N=c2cc[nH]c(C#N)c2)C1 1186230680 LCCGFTOBESNCDN-SFHVURJKSA-N 291.398 3.891 30 20 CHED C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)C1CCCCC1 1186343225 TTWDPFDCKLRGPV-LLVKDONJSA-N 289.354 3.788 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc2c1OCC2 1204497787 TWWJAPZKIMJGRA-UHFFFAOYSA-N 286.419 3.773 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CC1(C)C 1219031169 ZOEVBQSPSVKZDN-GXTWGEPZSA-N 289.354 3.644 30 20 CHED CC(C)(C)Cc1nnc(/C=C/c2ccccc2C#N)o1 1257876805 OXHIWYNHEYEZME-CMDGGOBGSA-N 267.332 3.700 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(c2cccc(CC#N)n2)C1 1258172087 FEVDXFDOWCQDEP-WMLDXEAASA-N 277.371 3.735 30 20 CHED CCC(=NOC(C)(C)C)c1ccc(Cl)c(N)c1 1261236823 YDXDWAYLLIYRNX-UHFFFAOYSA-N 254.761 3.851 30 20 CHED CC[C@H](CC(=O)[C@H](C#N)c1nccn1CC)c1ccccc1 1263617085 UNNMUUPLDJALOT-ZBFHGGJFSA-N 295.386 3.663 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCC[C@H](C)C2)c1C#N 1306927677 FQTYHURDYCWPKB-ONGXEEELSA-N 263.772 3.906 30 20 CHED Cc1nsc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1C#N 1306949780 UGQHBPDLBZFRNC-DKKFBCOVSA-N 273.405 3.560 30 20 CHED CC(C)NC(=S)NN=C(CC(C)(C)C)c1ccccc1 1317852001 DMEHOKGORARSBR-UHFFFAOYSA-N 291.464 3.699 30 20 CHED C=C(CC)COC(=O)c1cc(C)c2ccccc2n1 1320022214 LMCFOKMMCFXZDD-UHFFFAOYSA-N 255.317 3.666 30 20 CHED O=C(/C=C/c1ccc(N2CCCC2)cc1)c1cncs1 1320756076 WZJQRZOAIPRABK-VMPITWQZSA-N 284.384 3.639 30 20 CHED N#Cc1ccc(-c2nnc(C=C3CCCC3)o2)cc1 1328350177 XKAWUCFGXHHDQO-UHFFFAOYSA-N 251.289 3.566 30 20 CHED CCN(Cc1cnc(-c2ccccc2)s1)[C@@H](C)C#N 1328429231 MQDMTDULMQYHMK-LBPRGKRZSA-N 271.389 3.544 30 20 CHED C=CC[C@H]1CCCC[C@H]1Nc1ccc(CCC(N)=O)cc1 1330316098 OOZFBFYBNWLIQE-DOTOQJQBSA-N 286.419 3.651 30 20 CHED C=C1CCC(C(=O)N(CCCC)c2cccnc2)CC1 1331470407 VYZSBQANDFADFI-UHFFFAOYSA-N 272.392 3.961 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCC(=O)c1cccs1 1336238659 RNKVANZZKQIXTI-CYBMUJFWSA-N 291.416 3.668 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnc(O)c2ccccc12 1336759667 NQPOEJXGDVOPPE-ZDUSSCGKSA-N 296.370 3.511 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 1337164704 PQYOCSKVHYATGM-DOTOQJQBSA-N 271.404 3.995 30 20 CHED CS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)c(C)c2)C1 1339345243 KGBZKCZWNUMQGH-JKSUJKDBSA-N 274.433 3.583 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc(-c2cccs2)s1 1343368067 YELMKRHUGBSGOM-SECBINFHSA-N 277.370 3.936 30 20 CHED C=C(C)CCC(=O)N[C@H](C)Cc1nc2ccccc2s1 1348718071 KTFDCDJKWBLCFG-GFCCVEGCSA-N 288.416 3.700 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)N1CCC[C@H](C#N)C1 1354751388 CYUQIWROBIQVEZ-GFCCVEGCSA-N 291.782 3.724 30 20 CHED CCc1ccc2occ(C(=O)N(CC)[C@H](C#N)CC)c2c1 1355089211 SKRDNGMHFMRWFU-ZDUSSCGKSA-N 284.359 3.759 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2cccc(C#N)c2)C1 1460731927 VVGABAXQLRCHKP-AWEZNQCLSA-N 257.333 3.684 30 20 CHED CCN(CCC#N)Cc1ccc(OC)c(C(C)(C)C)c1 1462046174 UGCSMXLAUGHYOR-UHFFFAOYSA-N 274.408 3.728 30 20 CHED CCCOC1(CNC[C@@H](C)CCC#N)CCCCC1 1462197876 DJKSCCALEISVSU-HNNXBMFYSA-N 266.429 3.645 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1 1466836540 ANIZSNGSDFQVGY-MLGOLLRUSA-N 285.391 3.909 30 20 CHED Cc1ccc(F)cc1[C@@H](C)OC(=O)c1cc(C#N)cs1 1537554857 KDYGYVMFNIPTAU-SNVBAGLBSA-N 289.331 3.985 30 20 CHED N#Cc1cccc(OCCN2CCCc3c(F)cccc32)c1 1559580522 LALLLFJDYVJPSI-UHFFFAOYSA-N 296.345 3.529 30 20 CHED N#Cc1ccsc1NC(=O)NC1(C2CCCCC2)CC1 1563024383 HQGORRHPGDTTAD-UHFFFAOYSA-N 289.404 3.854 30 20 CHED C[C@H](CSC(F)(F)F)C(=O)O[C@H]1CCC[C@@H](C#N)C1 1583566567 XAHQTLYMMAXIMB-BBBLOLIVSA-N 295.326 3.501 30 20 CHED C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)C1CCCCC1 1584409683 UKGPVNDEZZUNHH-WMLDXEAASA-N 284.403 3.769 30 20 CHED Cc1cc(C)c2c(c1)CN(Cc1ccc(F)cc1C#N)CC2 1642763672 TZTVEPUAZZAGQQ-UHFFFAOYSA-N 294.373 3.873 30 20 CHED Cc1cc(N2CCC[C@@](C)(c3ccccc3)C2)ncc1C#N 1651511069 AVHFULYLBAJCBY-LJQANCHMSA-N 291.398 3.820 30 20 CHED C[C@H](CCC1CCCCC1)Nc1cncc(C#N)n1 1651519408 SKIDPAUTAQATNB-GFCCVEGCSA-N 258.369 3.509 30 20 CHED COc1ccc([C@H](C)COc2ccc(C#N)c(OC)c2)cc1 1651953871 UEBUAHLMSSQOEF-CYBMUJFWSA-N 297.354 3.758 30 20 CHED CO[C@H](CNc1ncc(C#N)cc1Cl)C1CCCCC1 1652081824 PJCYPQWIACAYCO-CQSZACIVSA-N 293.798 3.614 30 20 CHED N#Cc1cc2c(nc1OC/C(Cl)=C\Cl)CCCCC2 1653033652 MWCWWQQMRMIHTM-KPKJPENVSA-N 297.185 3.920 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 1668156867 SNPAEZYXBPZAHK-AWEZNQCLSA-N 289.354 3.788 30 20 CHED O=C(O)c1ccc2c(c1)CCCCC2=NNc1ccccc1 1776032846 YTZICFPXKURQNR-UHFFFAOYSA-N 294.354 3.927 30 20 CHED CC(C)c1ccc(NN=Cc2cc(C(=O)O)co2)cc1 1776060477 WZEDISNHGNKNDQ-UHFFFAOYSA-N 272.304 3.547 30 20 CHED C=CCc1ccccc1CNc1cccc(C(=O)O)c1 1776188670 OITDYKODSBQPAL-UHFFFAOYSA-N 267.328 3.725 30 20 CHED Cc1c(NCc2ccc(C#N)cc2F)cccc1[N+](=O)[O-] 11550154 MNUNBXMPJVDMOQ-UHFFFAOYSA-N 285.278 3.526 30 20 CHED N#Cc1cccc(CSc2ncnc3ccsc23)c1 26960083 IDFLIAXECRXODA-UHFFFAOYSA-N 283.381 3.855 30 20 CHED N#Cc1ccc(OCCOc2ccc3c(c2)CCC3)cc1 34651428 UDTWRNMNLMERKS-UHFFFAOYSA-N 279.339 3.505 30 20 CHED CCN(Cc1cccc2ccccc12)C[C@@H](C)C#N 42287643 CUIMWGYDXDOPPQ-AWEZNQCLSA-N 252.361 3.821 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1ccccc1OC(C)C 44165832 XBIKOLICGFSTRC-ZDUSSCGKSA-N 292.448 3.575 30 20 CHED Cc1cc(C)c(C#N)c(N(C)CC2CCCCC2)n1 47873316 XIEYPRLEXCAHRM-UHFFFAOYSA-N 257.381 3.587 30 20 CHED C=CCOc1cccc(NC(=O)C2(C#N)CCCCC2)c1 57398485 LUUMNURAFBEXAQ-UHFFFAOYSA-N 284.359 3.664 30 20 CHED Cc1ccc(N/N=C2\C(=O)Nc3c(C)ccc(Cl)c32)cc1 59155363 IHXAQMPXHSACDA-UHFFFAOYSA-N 299.761 3.725 30 20 CHED C[C@H](CC#N)NC(=O)c1sc2ccccc2c1Cl 64332965 SQZHVXJXWIXIRG-MRVPVSSYSA-N 278.764 3.587 30 20 CHED C#CCN(C(=O)/C=C/c1cccs1)C1CCCCC1 65777729 HCOGSZDXCIAHGX-ZHACJKMWSA-N 273.401 3.556 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@]12CCC[C@@H](C)C2 66131437 XNGLVGAWDYTWKM-CXAGYDPISA-N 270.376 3.647 30 20 CHED C[C@H](NC(=O)c1sccc1C1CC1)c1ccc(C#N)cc1 67160709 AUQCPPBHKVPPLR-NSHDSACASA-N 296.395 3.988 30 20 CHED CCCCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 68454246 ZKAQUBJSXVOLCZ-LBPRGKRZSA-N 285.174 3.864 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1ccccc1O 69973721 RYBRUABPHOGSOI-UHFFFAOYSA-N 287.403 3.530 30 20 CHED C=CCN(C(=O)c1cccc(OC)c1OC)c1ccccc1 75476644 CWWSNOWKDOKVBO-UHFFFAOYSA-N 297.354 3.537 30 20 CHED C=CCN(C(=O)[C@H]1CCOc2ccccc21)c1ccccc1 76776543 HQOPRSZUMYEVBB-KRWDZBQOSA-N 293.366 3.772 30 20 CHED C=CCCCOc1cccc(Oc2ncccn2)c1 77239366 IOIGTLZFQBJWCU-UHFFFAOYSA-N 256.305 3.614 30 20 CHED C[C@](O)(CNc1c(Cl)cccc1C#N)c1ccccc1 78260764 SQYWCRQWCZEVOQ-INIZCTEOSA-N 286.762 3.531 30 20 CHED C=CCCC(=O)N1CCCc2c(Cl)ccc(OC)c21 78465462 NXCSLTRAAWYXJN-UHFFFAOYSA-N 279.767 3.594 30 20 CHED CC#CCSc1nnc(-c2cccc(Cl)c2)o1 78942826 DXEBZJPMMSJMCZ-UHFFFAOYSA-N 264.737 3.505 30 20 CHED CCc1ccc(NCc2ccc(F)c(C#N)c2)cc1 83399078 GBILCAIVFBPLID-UHFFFAOYSA-N 254.308 3.872 30 20 CHED CC(C)(C#N)CCOc1cc(Cl)ccc1[N+](=O)[O-] 87596151 RISGHCPJHKKROZ-UHFFFAOYSA-N 268.700 3.567 30 20 CHED CC[C@H](CSC)N(C)c1ccc2cc(C#N)ccc2n1 91022520 QSCPSLJDKVPRCY-CQSZACIVSA-N 285.416 3.684 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1cccc(C#N)c1 93325496 VLIBQFZUEGBTNF-UHFFFAOYSA-N 272.392 3.845 30 20 CHED CCCCCCCCCN(C)C(=O)c1cscn1 102998362 CAGIEOQFYDCKMI-UHFFFAOYSA-N 268.426 3.966 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc(Cl)cc1F 103440504 BWXQZGOHUPQSAL-UHFFFAOYSA-N 296.773 3.881 30 20 CHED N#Cc1ccc(OCc2ccsc2C(=O)O)c(Cl)c1 110952930 CMJJUPFWMSMNNV-UHFFFAOYSA-N 293.731 3.550 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(CC)c2)CC1 111706694 ZVJHMIDGLNOCTF-UHFFFAOYSA-N 258.365 3.679 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c1 112775609 BAQPTPKNJLDLFH-CABCVRRESA-N 298.292 3.579 30 20 CHED Cc1cccc(CCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 116812190 WDMIGYVKPVQMEF-MAUKXSAKSA-N 284.403 3.516 30 20 CHED C=CCCCS[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 117944731 DGRXJNZAMSUXDG-ZDUSSCGKSA-N 291.416 3.916 30 20 CHED C#CCCCCC(=O)NC1(c2cccc(Cl)c2)CC1 120198400 UCSVXXUSWCWFRO-UHFFFAOYSA-N 275.779 3.639 30 20 CHED C#CCCOc1ccc(CN(C)Cc2ccsc2)cc1 120476383 BMGNQVZWLOLVHX-UHFFFAOYSA-N 285.412 3.782 30 20 CHED COc1ccc(CN(CC(C)(C)CCC#N)C2CC2)cc1 120736136 YMRFUJIRRJZGRF-UHFFFAOYSA-N 286.419 3.990 30 20 CHED C=CCC[C@H](N[C@@H](C)Cc1ccc(O)cc1)C1CC1 120996543 OZNMBFRKMNNWAE-GUYCJALGSA-N 259.393 3.658 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H](C)c1ccccc1 124018978 KSEWGHOUPHTSDN-HNNXBMFYSA-N 295.382 3.671 30 20 CHED CCc1nnc(Oc2cc(F)cc(F)c2)c(C#N)c1CC 125040801 APAGCFYDRUFXQK-UHFFFAOYSA-N 289.285 3.544 30 20 CHED CC[C@H](SC)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 127747208 OTBIJFUUNLVVIT-WFASDCNBSA-N 290.432 3.609 30 20 CHED O=C(/C=C/c1ccc(O)c(Br)c1)c1ccco1 130868463 FKTUWKXSPIUMEC-GQCTYLIASA-N 293.116 3.644 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H](C)c1cccs1 131021556 VBMUXFCMKVSXGG-LBPRGKRZSA-N 285.368 3.775 30 20 CHED CCCNC(=O)c1cccc(NCCCC(C)(C)C#N)c1 133685826 CXAGMWRFVLSFGS-UHFFFAOYSA-N 287.407 3.568 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 135062662 NXKCHTHYPZVBND-MRXNPFEDSA-N 285.347 3.586 30 20 CHED C#CCCCCNCc1ccc(OC)c(OCC(=C)C)c1 150737861 JLGLWDCICSQZSG-UHFFFAOYSA-N 287.403 3.543 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](Cc2ccccc2)C1 150848809 XKCXUOHNJDZBJA-KRWDZBQOSA-N 283.415 3.846 30 20 CHED CSc1cc(C)ccc1CNCc1ccc(C#N)cc1 153525365 NPPMSBPXIFPSQS-UHFFFAOYSA-N 282.412 3.878 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)cc(OC)c1O 156078394 LARNMFRBFXOTSA-UHFFFAOYSA-N 291.391 3.528 30 20 CHED C=C(C)CNC(=O)N(Cc1ccccc1)CC1CCC1 156832061 XKHKSEZQLKCJSO-UHFFFAOYSA-N 272.392 3.574 30 20 CHED O=C1/C(=C/c2cccc(-n3cccn3)c2)Cc2ccccc21 157191903 GCMRKKMSVNWMPY-LFIBNONCSA-N 286.334 3.695 30 20 CHED CCN(Cc1ncc(-c2ccccc2)s1)C[C@H](C)C#N 157749261 GPRGOHRQVXCEBU-CYBMUJFWSA-N 285.416 3.792 30 20 CHED CC(=O)CCCCCCC(=O)Nc1ccc(CC#N)cc1 161060334 KYAPJZUHUWYGRR-UHFFFAOYSA-N 286.375 3.621 30 20 CHED CC(C)CC(C)(C)C(=O)N[C@@H](C#N)c1ccccc1F 161417255 OWGVTABZFRFURU-AWEZNQCLSA-N 276.355 3.579 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C 162218691 IZCFHROTHKQNDR-AWEZNQCLSA-N 260.381 3.601 30 20 CHED C=CCN(C(=O)c1ccc(C)cc1Br)C1CC1 165367329 DUNVTSKHSFXLDU-UHFFFAOYSA-N 294.192 3.548 30 20 CHED C=CCCCOC(=O)[C@H]1SCCc2ccccc21 173782046 ZBGLVUCNGQLMSP-AWEZNQCLSA-N 262.374 3.526 30 20 CHED CCOc1ccc(CNCC(C)(C)CCC#N)cc1OC 174267004 BCFOQTVDPSFING-UHFFFAOYSA-N 290.407 3.513 30 20 CHED CC[C@H](CC(=O)N[C@H](C#N)C1CCCCC1)C(C)C 176595382 UDJPMLWTOGIXJN-UKRRQHHQSA-N 264.413 3.647 30 20 CHED O=C(/C=C\c1c[nH]nc1-c1ccccc1F)c1ccco1 178994399 AWYIHJGENHRLAZ-FPLPWBNLSA-N 282.274 3.705 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)C1CCC1 179819181 MWDZVCLTRDYYCA-ZDUSSCGKSA-N 258.365 3.970 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1cccc(F)c1F 179912347 MHGLKGNICQUQTM-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 180061217 YHCKXMWBUPPRBI-CYBMUJFWSA-N 298.390 3.575 30 20 CHED C=CCSCCN[C@@H](CC(C)C)c1ccccn1 180457638 GZLAWLBTOOQCML-HNNXBMFYSA-N 264.438 3.678 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(C2SCCS2)cc1 181831614 HJDCQJUVCZISMC-UHFFFAOYSA-N 293.413 3.624 30 20 CHED CC[C@H](NCCCC(C)(C)C#N)c1c(C)noc1C 182394905 UCRSVAQFKIMFOA-ZDUSSCGKSA-N 263.385 3.662 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 185680381 CUNHUHYWQVGKEJ-WMZOPIPTSA-N 283.415 3.832 30 20 CHED CC#CCCCC(=O)Nc1cc(C)ccc1-n1cc(C)cn1 186078055 YKUNODWCBPINPF-UHFFFAOYSA-N 295.386 3.621 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccc(C(C)(C)O)cc1 186612182 AQHTUPAWVFJSMS-KGLIPLIRSA-N 261.409 3.604 30 20 CHED COc1ccc2c(c1)CN([C@H](C)c1cccc(C#N)c1)CC2 187225863 LUZZWEWQLGWRJI-CQSZACIVSA-N 292.382 3.686 30 20 CHED C=CCCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187279272 TWDGOLITLBJTMA-UHFFFAOYSA-N 262.397 3.567 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@H](CC)C1)c1ccccc1 188507697 JCUFYNGFOLQHPS-GOEBONIOSA-N 257.377 3.605 30 20 CHED C=CCCC(=O)NC[C@@H](Cc1ccccc1)C(C)C 188779996 BVSPKXWOEKCOPX-MRXNPFEDSA-N 259.393 3.584 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1)C(C)(C)COC 191323978 VIMBYAZHFKMBTO-UHFFFAOYSA-N 289.419 3.797 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 192069714 NOCSEFCRMANILB-CQSZACIVSA-N 298.411 3.763 30 20 CHED CC1(C)OB(c2ccccc2Nc2ccccc2)OC1(C)C 206168736 SXKKDEXCRQUQIP-UHFFFAOYSA-N 295.191 3.729 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2ccccc2F)c1 206976629 MCQHGYBLJSOATN-HJWRWDBZSA-N 251.260 3.593 30 20 CHED N#Cc1ccsc1NC(=O)/C=C\c1ccc(Cl)cc1 212347221 OXZCLHUVBWFZRL-UTCJRWHESA-N 288.759 3.925 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccccc1O 214519841 FYNDZYQDQOBNHI-HJWRWDBZSA-N 268.312 3.605 30 20 CHED CCN(Cc1cccc(C#N)c1F)c1ccc(F)cc1 219526239 NNJFWSJGURGEAQ-UHFFFAOYSA-N 272.298 3.863 30 20 CHED Cc1cc(Cl)ccc1C(=O)N(C)c1ccc(C#N)cc1 227855542 HSMSOKMHKMOOQS-UHFFFAOYSA-N 284.746 3.797 30 20 CHED COc1cc(C=O)ccc1OCCCCC(C)(C)C#N 234910445 ZRHTYZXSFQVIMG-UHFFFAOYSA-N 275.348 3.607 30 20 CHED COc1ccc(CNc2ccc(C#N)cc2Cl)c(F)c1 234941643 AMTBMWFITJVCBL-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CSC1(CNc2cccc(Cl)c2C#N)CC1 235185405 PDMKBCSVYQNSLT-UHFFFAOYSA-N 252.770 3.519 30 20 CHED Cc1cnc([C@H](C)Nc2nc(Cl)c(C#N)s2)s1 235554740 OXQHYOFYLPVTJW-LURJTMIESA-N 284.797 3.606 30 20 CHED CCCCCCCC(=O)NCCc1cccs1 248255910 KRMBZIALJYEXGA-UHFFFAOYSA-N 253.411 3.767 30 20 CHED C=CCN1C(=O)/C(=C\c2ccc(F)cc2C)SC1=S 254914632 DCXMBEXLTVCZTC-XYOKQWHBSA-N 293.388 3.521 30 20 CHED N#C[C@@H](COC(=O)/C=C\c1cccs1)Cc1ccccc1 255165063 CNKKSGUUUZEVGG-CDNLZTBQSA-N 297.379 3.687 30 20 CHED C/C(=C\c1cc(C#N)cs1)c1nc(O)c2ccsc2n1 255621584 PGCFWHYXUDEKGL-XBXARRHUSA-N 299.380 3.891 30 20 CHED N#CCC[C@H](NC(=O)/C=C\c1ccccc1)c1ccccc1 255673906 BIPVJBYXQYEALI-HWOXTHGCSA-N 290.366 3.861 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(Cl)ccc2F)C1 260164517 ROPWFMBZQPMFHI-NSHDSACASA-N 266.747 3.605 30 20 CHED N#C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCC(=O)C1 261508737 WJWMKKSFZOQAMA-CYBMUJFWSA-N 267.250 3.610 30 20 CHED C=CCCC(=O)N[C@H](C)c1cccc(OC(C)C)c1 263728077 ZGTZGOYFCLJGBC-CYBMUJFWSA-N 261.365 3.617 30 20 CHED CCCN(CCc1cccc(F)c1)C[C@H](C#N)CCC#N 265020490 SGCCSHQSVBPUSI-INIZCTEOSA-N 287.382 3.524 30 20 CHED N#C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C1CCCCC1 267210023 FOTQFXIRJBVAEP-INIZCTEOSA-N 299.349 3.509 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@H](C)c1ccccc1)OCC 270134053 PWGUIBKFVXWFGI-ZBFHGGJFSA-N 275.392 3.577 30 20 CHED C=CCN(C(=O)Nc1ccc(OC(C)C)cc1)C1CC1 271540714 NJGNHMWVCLWBNW-UHFFFAOYSA-N 274.364 3.656 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1nnc(C(C)(C)C)s1 271563663 YAQXHDIBBDNFRC-QWRGUYRKSA-N 267.442 3.526 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc(F)c(C)c1)C1CC1 271606196 WHXAGVFNFPBSQJ-GFCCVEGCSA-N 276.355 3.555 30 20 CHED COc1cc(C(C)=O)ccc1S[C@@H]1CC[C@H](C#N)C1 278696005 ZSXAFIHUYMIEHI-WCQYABFASA-N 275.373 3.682 30 20 CHED CC[C@H](N[C@@H]1CCCC[C@@H]1OC)c1ccc(C#N)cc1 278768255 PAGOIVYLUUKCJI-BBWFWOEESA-N 272.392 3.557 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(N3CCCCC3)nc2)C1 278875478 XISGQNAFCPRBCC-GJZGRUSLSA-N 284.407 3.566 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1CCC(C)C 281004217 GJSPPMFVBHKLML-CYBMUJFWSA-N 274.364 3.501 30 20 CHED C#CCCCC(=O)Nc1cc(Cl)c(Cl)cc1F 281166049 XGOPQEZOZJCBOU-UHFFFAOYSA-N 274.122 3.875 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(OC2CCCC2)cc1 285495763 PDYQUJFDTYJXOP-QGZVFWFLSA-N 286.375 3.886 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(C(F)F)c1 285689533 QYOVJNHBNQHWSC-CYBMUJFWSA-N 252.264 3.503 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2ccc(Cl)cc2n1 286024192 RXRXQPPAAPUOKS-HNNXBMFYSA-N 287.750 3.767 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CCCC#N 292366744 CYWLMVBCYGTIES-NSHDSACASA-N 264.756 3.553 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCC2(F)F)cc1[N+](=O)[O-] 294874273 FHZGHFBDSMECQI-NSHDSACASA-N 295.289 3.704 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(C2CCC2)c1 297251556 BXAKKVQDDWIFMC-UHFFFAOYSA-N 283.375 3.888 30 20 CHED Cc1c(C#N)c(S[C@H](C)CCC#N)nc2c1CCC2 298208612 GLJSKEKZSNIQIE-SNVBAGLBSA-N 271.389 3.535 30 20 CHED C=CCCO[C@H](C)C(=O)N(C1CC1)[C@H](C)c1ccccc1 299332694 ROTTUAMKLVUXIC-HUUCEWRRSA-N 287.403 3.720 30 20 CHED C[C@@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 301190165 VWOLTFPCDDNODF-SNVBAGLBSA-N 268.282 3.813 30 20 CHED CN(c1ccccc1)C1CCN(c2ccc(C#N)cc2)CC1 301265398 PMBBFFOXKQLMIJ-UHFFFAOYSA-N 291.398 3.663 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2ccc(C#N)cn2)C1 301305723 XZNLUHWCSXQCGV-GOSISDBHSA-N 277.371 3.511 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2nnc(C)c(C)c2C#N)c1 301478509 XQFXGHSJUWMWSP-CYBMUJFWSA-N 294.402 3.625 30 20 CHED CCc1cnc(CN(C)c2ccc(Cl)cc2C#N)s1 301482946 UCMMJSRCDXWXBF-UHFFFAOYSA-N 291.807 3.867 30 20 CHED CC[C@H](Nc1ccc(C#N)nc1)c1cc(F)ccc1F 301528691 GXTDEHBVLXMYQL-HNNXBMFYSA-N 273.286 3.795 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@@H](C)C[C@H](C)C2)c1 302156377 WGGKNHQAAZWPRT-OLZOCXBDSA-N 270.376 3.633 30 20 CHED CN(CCCc1ccccc1)c1cc(C#N)ccc1[N+](=O)[O-] 302189104 ALFGJBUEPMGAFO-UHFFFAOYSA-N 295.342 3.535 30 20 CHED Cc1cc2cc(Nc3c(C#N)cccc3C#N)ccc2[nH]1 302445383 NWBFUSTYLUFFJN-UHFFFAOYSA-N 272.311 3.963 30 20 CHED C=C(Cl)CSc1nc2c(cc1C#N)CCCC2 302957074 OAUYJPSAWSPQLJ-UHFFFAOYSA-N 264.781 3.677 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCCC(F)(F)C1 311149173 OWUPGJCJVCWHAJ-JTQLQIEISA-N 268.282 3.935 30 20 CHED N#Cc1ccc(OCCCCC2CCOCC2)cc1F 312207673 MCZLZXUZVGWVAW-UHFFFAOYSA-N 277.339 3.673 30 20 CHED Cc1cc(CNc2cccc(CC#N)c2)cc(C)c1O 313431300 WBLNVWJEVDTFOO-UHFFFAOYSA-N 266.344 3.687 30 20 CHED C[C@H](/N=C(/O)C[C@@H]1CCc2ccccc2C1)c1ccon1 329204053 YSVNJKLHUNSZEM-QWHCGFSZSA-N 284.359 3.887 30 20 CHED O/C(=N/[C@H]1CCCC(F)(F)C1)c1ccc2nsnc2c1 329436509 JIFRASCASBMKLG-VIFPVBQESA-N 297.330 3.574 30 20 CHED C[C@H](/C(O)=N/[C@H]1CCCN=C1O)c1cc2ccccc2o1 330073515 KORNOXWYUKQCMF-JQWIXIFHSA-N 286.331 3.612 30 20 CHED CCCC1(/C(O)=N/[C@H]2CCCc3c[nH]nc32)CCC1 330148639 JOZMFEBDUGOVAB-LBPRGKRZSA-N 261.369 3.714 30 20 CHED CCc1ccc(N/C(O)=N/[C@@H](C)C2CCOCC2)cc1C 330613527 YYJNHUCUXKEQOK-ZDUSSCGKSA-N 290.407 3.698 30 20 CHED CC(C)c1ncsc1/C(O)=N/C[C@]1(C)CCCC[C@@H]1O 331306540 FATKQDPETRMXFT-NHYWBVRUSA-N 296.436 3.512 30 20 CHED Cc1oc2ccccc2c1C(=O)N1CCCC(C)(C)[C@H]1C#N 332004899 RLECZAQEEACMNK-OAHLLOKOSA-N 296.370 3.896 30 20 CHED N#Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 332780730 UZZXRFSHAJGCLK-KZNAEPCWSA-N 296.414 3.781 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cn2)c1 334341248 OCRBRDGKOAPTGV-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCc1cccc(C)c1NC(=O)N1CCC(CC#N)CC1 335905719 DQFXHHJWESCWIS-UHFFFAOYSA-N 285.391 3.715 30 20 CHED CSc1ccccc1[C@@H](C)NC(=O)c1ccc(C#N)cc1 337157842 QQTXUCDUPKWAEW-GFCCVEGCSA-N 296.395 3.771 30 20 CHED N#CCCCOc1cccc(CNC[C@H]2C[C@H]3CC[C@H]2C3)c1 338954316 NDPZXNBLWXDHIA-RYQLBKOJSA-N 298.430 3.895 30 20 CHED Cc1ccc([C@@H](NCCOCCC#N)c2ccccc2)cc1 339021055 HALHNISIEDVZGG-IBGZPJMESA-N 294.398 3.604 30 20 CHED CC1=CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1 339212819 DYNPEURXQOBOLL-UHFFFAOYSA-N 281.334 3.710 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1sc(C)c(C)c1C#N 341456458 IMYXKZCVBWFBKF-BXUZGUMPSA-N 262.378 3.611 30 20 CHED CC(C)CC1(C)CCN(C(=O)NCC2(CC#N)CC2)CC1 341464423 IXRUTRMYNLDEST-UHFFFAOYSA-N 291.439 3.538 30 20 CHED Cc1cc(NCc2coc(-c3ccccc3)n2)cc(C#N)n1 342292891 LXXUILNQPJZXQH-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc2cccnc12 343246747 IOCHKNKPCCGEHD-CYBMUJFWSA-N 268.360 3.709 30 20 CHED C=CCOc1ccccc1CNc1nc(C)cc(C)c1C#N 347299107 YJRZPRMXLPMZGP-UHFFFAOYSA-N 293.370 3.747 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCCOc3cc(Cl)ccc32)C1 349338774 ATIPUEOMVCDWMW-OSAQELSMSA-N 290.794 3.836 30 20 CHED Cc1cnccc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 351056599 NKGZYRDAXUNTHG-UHFFFAOYSA-N 293.370 3.565 30 20 CHED C=C1CCN(Cc2ccc(OCC)c(OCC)c2)CC1 353321430 QGMHTAJBCUPYFK-UHFFFAOYSA-N 275.392 3.636 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@H]2C=CCCC2)cc1 355731573 QGQQVCYMCDSVCP-HNNXBMFYSA-N 285.387 3.614 30 20 CHED Cc1nc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1C#N 356116049 SCMQZYVAQCIHCR-UHFFFAOYSA-N 296.717 3.632 30 20 CHED N#CCCCC(=O)Nc1cccc(Oc2ccncc2)c1 360212553 OSEPKMVTJCANQG-UHFFFAOYSA-N 281.315 3.506 30 20 CHED N#CCCNc1ccnc2cc(C(F)(F)F)ccc12 362676602 VSLSMKZVFLAYAE-UHFFFAOYSA-N 265.238 3.579 30 20 CHED Cc1cc(CN(C)[C@@H](C)c2ccco2)ccc1C#N 362935567 QCVNRZDIIFMXKD-ZDUSSCGKSA-N 254.333 3.653 30 20 CHED N#Cc1ccncc1N1CCC(c2cccc(F)c2F)CC1 364913768 ANFIVRAMIGLXAB-UHFFFAOYSA-N 299.324 3.615 30 20 CHED N#CCC1(CN[C@@H]2CCC[C@H]2c2ccccc2)CC1 370667446 MLZPAAOEXCNOOO-JKSUJKDBSA-N 254.377 3.606 30 20 CHED C[C@@H]1N(c2ccc(C#N)c(Cl)c2)CCC12CCOCC2 374905918 AUTYIVLKWKPRDS-LBPRGKRZSA-N 290.794 3.607 30 20 CHED C=CCCC[C@@H](C)Nc1ccc(-c2nc(C)no2)cn1 378443722 NVMBUSOQNVCMIK-LLVKDONJSA-N 272.352 3.597 30 20 CHED C[C@H]1CCC[C@H](C(=O)Nc2ccc(C#N)cc2Cl)C1 383238082 UUCYYBIAGRIFQU-JQWIXIFHSA-N 276.767 3.976 30 20 CHED C=CC(C)(C)CNCc1csc(Br)c1 384933306 HTRLPUDLHYWHIW-UHFFFAOYSA-N 274.227 3.812 30 20 CHED Cc1cc(SCCO[C@@H](C)C#N)nc2ccccc12 394057431 DBCVFMCMWOLCOH-LBPRGKRZSA-N 272.373 3.564 30 20 CHED Cc1nc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)ccc1C#N 394281385 FLYZZMHUMXCJJX-PBHICJAKSA-N 269.392 3.667 30 20 CHED N#CC[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 397672575 GBLYNKLSKAXBJT-LLVKDONJSA-N 266.747 3.605 30 20 CHED C=CCn1cccc1C(=O)NC1CC(C)(c2ccccc2)C1 410074097 IYYNQTOYZFSAFR-UHFFFAOYSA-N 294.398 3.524 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(C)n1 411178337 JMDGGYZAARONCP-UHFFFAOYSA-N 286.400 3.588 30 20 CHED C[C@H]1[C@H](Cc2ccccc2)CCN1[C@H](C)CCC#N 411301602 DKRAEMJOORWRMZ-VYDXJSESSA-N 256.393 3.632 30 20 CHED C[C@@H](NCCC1(C#N)CCCCC1)c1ccncc1F 411690553 HPDZXLVBPIUHRW-CYBMUJFWSA-N 275.371 3.735 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)C(C)C 412840416 NHKIMHFSJISVND-GDBMZVCRSA-N 259.393 3.582 30 20 CHED N#Cc1cc(NC[C@H]2CCC[C@H](N)C2)ccc1C(F)(F)F 420291148 VNDUOXOUXPGGBK-JQWIXIFHSA-N 297.324 3.506 30 20 CHED COc1ccc([C@H](NCC2(CC#N)CC2)C(C)C)c(F)c1 421861448 VWESYPWMGUDKTC-MRXNPFEDSA-N 290.382 3.815 30 20 CHED N#CCCCOc1cccc(CN[C@@H]2C[C@H]2C2CCC2)c1 424195730 MMXPZTFIIXTYMC-ZWKOTPCHSA-N 284.403 3.647 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccc(C)cc2)no1 424337735 MCOSFQMYEBIQAC-UHFFFAOYSA-N 256.349 3.823 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 424696792 NVHPUNWOJYOLQT-CQSZACIVSA-N 297.402 3.652 30 20 CHED Cc1cc(N2CCSC3(CCCCC3)C2)c(C#N)cn1 425222857 BHMZNXKGUVXGMK-UHFFFAOYSA-N 287.432 3.518 30 20 CHED C[C@@H]1c2ccccc2CCN1c1ncc2c(c1C#N)CCC2 425240575 YQZJNDSOTZKWTB-CYBMUJFWSA-N 289.382 3.566 30 20 CHED N#Cc1c(N[C@@H]2CSc3ccccc32)ncc2c1CCC2 425240716 ZBUMKGWBJGHEHB-OAHLLOKOSA-N 293.395 3.701 30 20 CHED Cc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)ccc1C#N 425367328 SKTITJNKTPTZJK-OAHLLOKOSA-N 289.382 3.931 30 20 CHED C=CCSc1ccccc1C(=O)N1CC2(CCCC2)C1 428315569 DBUMJBOIUYZQFE-UHFFFAOYSA-N 287.428 3.981 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1Cc2ccccc2C1 431356233 LCAZMGWXVFSYJM-UHFFFAOYSA-N 297.423 3.678 30 20 CHED CC(C)CCc1nc(CN(C)CC(C)(C)C#N)cs1 433300842 FUDUVPOOFMBSSM-UHFFFAOYSA-N 279.453 3.713 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cnc(C(C)(C)C)s1 435741867 QZZOWZORFFUQDG-TZMCWYRMSA-N 294.464 3.511 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1 436025064 GTRBUIYOYMLGET-LLDVTBCESA-N 288.435 3.791 30 20 CHED N#Cc1cccc(C#N)c1Nc1cccc(N2CCCC2)c1 436310066 GSALEAJQSXQZRB-UHFFFAOYSA-N 288.354 3.774 30 20 CHED CC(C)(C)NC(=O)c1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 437116210 NBKCIBOVDVLSKO-BBRMVZONSA-N 299.418 3.709 30 20 CHED CCc1cc(C#N)ccc1OCc1ccc(C#N)cc1OC 442114694 YWDJBICIIHWYJT-UHFFFAOYSA-N 292.338 3.580 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccncc3)cc2)C1 442790135 ZLAQBRINLGJEFX-MAUKXSAKSA-N 277.371 3.530 30 20 CHED Cc1cc(CNC2CCC3(CCOCC3)CC2)ccc1C#N 443996794 KETLBXLWTIYQPZ-UHFFFAOYSA-N 298.430 3.696 30 20 CHED C=CC[C@H]1N(Cc2ccc(OC)c(O)c2)CCCC1(C)C 446831003 ZIKKAVWWRIKDBZ-QGZVFWFLSA-N 289.419 3.968 30 20 CHED Cc1cc(COc2ccc(CC[C@H](C)O)cc2)ccc1C#N 447327140 WBRNWWZPVWLKHL-HNNXBMFYSA-N 295.382 3.759 30 20 CHED N#CCCCOc1cccc(NCc2ccncc2F)c1 449039313 BFDHLOPYJJFOCI-UHFFFAOYSA-N 285.322 3.515 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)C1CCCC1 449298588 IFLYSHLUVSTVJX-XHSDSOJGSA-N 251.414 3.526 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(Cl)cc1 449548714 PYNAWKBWPBDCLQ-GLQYFDAESA-N 265.784 3.724 30 20 CHED CCO[C@@H]1C[C@@H](NCCCCC(C)(C)C#N)C12CCC2 451486089 ZUEQSZLCOIKQKK-HUUCEWRRSA-N 278.440 3.644 30 20 CHED C=CCC[C@@H](C(=O)NC[C@@H](CCC)OC)c1ccccc1 452297823 LJXUJCFHLWOCED-IAGOWNOFSA-N 289.419 3.668 30 20 CHED C=CCCc1noc([C@@H]2C[C@H]2c2ccccc2C)n1 453240458 UIKQZOLKRHEBCF-UONOGXRCSA-N 254.333 3.768 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)CC1 456141987 ZLCVEIVGNBSYBA-RYUDHWBXSA-N 289.341 3.922 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 456810417 FPTZRHWQLDJPND-LBPRGKRZSA-N 293.794 3.631 30 20 CHED C=CCCC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 458044443 AMCOFWPZKIDBOU-HZPDHXFCSA-N 257.377 3.747 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)NCC(C)(C)CC#N 459256443 IMOCPUKTWXHDFE-MRXNPFEDSA-N 299.418 3.781 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)[C@@]1(C#N)C[C@H]1C 460005194 BWWXAHANTPYVOL-MEBBXXQBSA-N 292.766 3.617 30 20 CHED Cc1cccc2c1CN(c1nc(C)c(C#N)cc1Cl)CC2 461947234 JJLYSVPIXFKGJG-UHFFFAOYSA-N 297.789 3.786 30 20 CHED CCC[C@H]1CCCCN1C(=O)[C@H](C)c1cccc(C#N)c1 462592556 NPMWWHAATZWQLO-PBHICJAKSA-N 284.403 3.843 30 20 CHED N#Cc1ccc(N[C@H]2C[C@@H]2Cc2ccccc2)c(F)c1 462886778 HBUVADQIYCGDLG-YOEHRIQHSA-N 266.319 3.740 30 20 CHED CC[C@H](C#N)NC(=O)c1ccc(C(C)(C)C)c(Cl)c1 464393978 UUTPMWBODWINEJ-LLVKDONJSA-N 278.783 3.669 30 20 CHED CC#CCCCC(=O)N1CCCC[C@@H]1Cc1ccccc1 464442462 DLECSKRWJUJQEO-GOSISDBHSA-N 283.415 3.804 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)CC(C)(C)C1 464707677 FHPFLQZEASRHEN-HZSPNIEDSA-N 278.440 3.893 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 464759050 UYLPXWBEJNIWMX-TZMCWYRMSA-N 292.810 3.631 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1Cc1ccccc1 465176277 TVZRUJXZDFSUDS-AWEZNQCLSA-N 280.371 3.973 30 20 CHED CC#CCCCC(=O)NCC1CCC(C(C)C)CC1 466437282 ACNJQHPIVRPXRB-UHFFFAOYSA-N 263.425 3.759 30 20 CHED CCCC(CCC)Sc1nccc(C#N)c1[N+](=O)[O-] 471049881 FLKWMUGLGIODFS-UHFFFAOYSA-N 279.365 3.922 30 20 CHED C=CCCCCN[C@@H](C(=O)OC)c1ccccc1Cl 471880354 NSCPCHFQSBKZDU-CQSZACIVSA-N 281.783 3.500 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H]1CC(C)C 472835146 MQBHJAKIGIWWID-CQSZACIVSA-N 252.402 3.563 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 473869351 QPRPOXRGXWUFRF-LLVKDONJSA-N 290.338 3.850 30 20 CHED C=CCOc1cccc(CN2CCC[C@](C)(OC)CC2)c1 475554748 JOLYPCHYMOOTQQ-SFHVURJKSA-N 289.419 3.642 30 20 CHED C=CCCC1(C(=O)NCCc2ccc(CC)cc2)CC1 476082426 ZMYBQJLAPCENDT-UHFFFAOYSA-N 271.404 3.654 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCO[C@@H]1CC(C)C 477194540 SAHYCOKQFHGCNZ-ARFHVFGLSA-N 296.455 3.624 30 20 CHED CCc1ccc(CCC(=O)N(C2CC2)C2(C#N)CCC2)cc1 477396112 XBUQLNJTQXHUPO-UHFFFAOYSA-N 296.414 3.619 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(C)c1Cl 488877501 KGSZCTALDWQPIH-LBPRGKRZSA-N 263.768 3.829 30 20 CHED CCN(Cc1ccc(C#N)c(C)c1)c1cccc(O)c1 489027227 NCRQHDMTMJCFDE-UHFFFAOYSA-N 266.344 3.599 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1NCCCC 489178312 KWGRVPSOCGEAHL-ZDUSSCGKSA-N 260.381 3.593 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@H](OCC2CC2)C1 489910958 JJIARYRSGDSRDG-AWEZNQCLSA-N 290.794 3.607 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(OCCCC)cc1C 491653917 DTASGRLULQCFKW-AWEZNQCLSA-N 288.391 3.659 30 20 CHED CCN(CC#N)C(=O)[C@@H](CC1CCCCC1)C(C)C 492169819 UHMZCMOSJKKBOO-HNNXBMFYSA-N 264.413 3.601 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)NCC(C)(C)C#N 497606602 GGUNHOALIRNCCA-CYBMUJFWSA-N 279.428 3.584 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1ccc(Cl)c(F)c1 497934959 CGYAQGUNUUCNIV-LLVKDONJSA-N 299.773 3.719 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(F)c(Cl)c1 500097945 KFKILRMSHHFCFG-VIFPVBQESA-N 270.735 3.955 30 20 CHED C=C[C@H](C)NC(=O)c1sc2cc(F)ccc2c1C 500917302 SARILLREGPVRDK-QMMMGPOBSA-N 263.337 3.653 30 20 CHED C=CCN(CC=C)Cc1cnn(-c2ccc(Cl)cc2)c1 505899447 WRAHFSMCCPHJTD-UHFFFAOYSA-N 287.794 3.700 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](C)[C@H](C)C1 508734812 STLHAUXWEWHWPP-LSDHHAIUSA-N 296.418 3.613 30 20 CHED CN(CCCOc1ccccc1)c1cccc(F)c1C#N 513140711 IYMQHFRBCQZCQW-UHFFFAOYSA-N 284.334 3.603 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C3CCC2CC3)cc1 514514461 QJALRAGXYNYCJW-UHFFFAOYSA-N 283.375 3.646 30 20 CHED Cc1coc(-c2cccc(N[C@H]3CC[C@H](C#N)C3)c2)n1 517274555 JGOVVOVGPCOGLX-WFASDCNBSA-N 267.332 3.754 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(OCCCC)c1 522652842 GGKQUGJTXJGNJI-CYBMUJFWSA-N 276.380 3.952 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 529493393 XNXUPNQVBUBMRI-OKDNKWQNSA-N 283.415 3.582 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(CC)c1ccc(C#N)cc1 534178331 XPMYHLQKDQXUHX-CYBMUJFWSA-N 272.392 3.983 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1CC)OCC 535969806 WZYJLYSFWIHURK-OAGGEKHMSA-N 281.440 3.785 30 20 CHED C=C(CC)COc1c(Cl)cc(C#N)cc1OC 536890727 ULCOHKVWBDTZNB-UHFFFAOYSA-N 251.713 3.565 30 20 CHED COc1cccc([C@@H](C)NCC#Cc2ccc(F)cc2)c1 537029501 YTFNYNKYIFTPSC-CQSZACIVSA-N 283.346 3.537 30 20 CHED C=CCCC[C@H](C)NC(=O)N(Cc1ccco1)C(C)C 537269396 YYDZVASXGVOUFC-AWEZNQCLSA-N 278.396 3.944 30 20 CHED C=C(CC)CNc1ccccc1C(=O)NC(C)(C)C 537993791 VFWHRDJNCXBABL-UHFFFAOYSA-N 260.381 3.593 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1coc2cc(F)ccc12 538336037 QFQGUPKLUFHPDE-GFCCVEGCSA-N 289.350 3.975 30 20 CHED CO[C@H](C)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541089064 ICJNTCNYFUTCFK-CABCVRRESA-N 294.398 3.911 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@H]1CCC2(CCCCC2)O1 545256865 BDXDSCHCPAHWOO-HUUCEWRRSA-N 294.439 3.522 30 20 CHED C=CCCCN(C)C(=O)N[C@@H](C)c1c(C)cccc1C 545499205 UETQNURKFJYIKI-HNNXBMFYSA-N 274.408 3.972 30 20 CHED CC1CC(C#N)(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)C1 546013900 BKJQJKKXNYIORS-DGNOSDGRSA-N 276.424 3.647 30 20 CHED CC1CCC(C)(NC(=O)c2ccc(C#N)c(Cl)c2)CC1 548610770 QKPPISIYGDZULI-UHFFFAOYSA-N 290.794 3.910 30 20 CHED C=CCn1cc(Br)c(-c2ccc(C)cc2)n1 549929898 YGVADIIRNAXQPS-UHFFFAOYSA-N 277.165 3.807 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 550105498 JWGOCGWZAACGMW-GYFISPQKSA-N 298.430 3.620 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[C@H](F)C1 554343456 WEGMZJRFTVAPRX-HOTGVXAUSA-N 290.382 3.665 30 20 CHED C[C@@H]1CCC[C@@H](NC2(c3cccc(C#N)c3)CC2)[C@@H]1C 556610112 QMIKXRLZNDRNBZ-CKEIUWERSA-N 268.404 3.962 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1c(F)cccc1SC 560997077 ZZLXNTIATOIQPJ-OAHLLOKOSA-N 281.396 3.766 30 20 CHED COCC1(CN[C@H](C)c2cccc(C#N)c2)CCCCC1 562091978 OATWUKAARGKBII-OAHLLOKOSA-N 286.419 3.806 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H](c3ccncc3)C2)CC1 568515454 RIRCYCHWACNPBU-INIZCTEOSA-N 284.403 3.534 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@@H]2CCC[C@@H]2C)cc1 569679200 BKUQTSLBFQYIRJ-HOCLYGCPSA-N 287.403 3.694 30 20 CHED N#CCc1cccc(Br)c1OC1CCCC1 569970436 NDSMQORJTPNAIV-UHFFFAOYSA-N 280.165 3.837 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c1 572109728 GAMHOVHXONAHOA-KCQAQPDRSA-N 295.386 3.507 30 20 CHED C[C@H](NC(=O)C(C1CCC1)C1CCC1)c1ccc(C#N)cc1 572430047 QDDVOQNRHMCPEX-ZDUSSCGKSA-N 296.414 3.952 30 20 CHED C=CCCCCCn1cnc2scc(C)c2c1=O 575029907 PIOLVYHWSFJVFG-UHFFFAOYSA-N 262.378 3.513 30 20 CHED Cc1cccc2oc(CCNC3CCC(C)(C#N)CC3)nc12 575477408 LZEYFELYYVCKTD-UHFFFAOYSA-N 297.402 3.741 30 20 CHED C=CCOCCSCc1ccccc1Br 579856037 LYJRFIJIGQDRKO-UHFFFAOYSA-N 287.222 3.885 30 20 CHED N#Cc1ccc(Cl)cc1NCC1CCC(C#N)CC1 581170219 ZNCAHWBMOCLOQH-UHFFFAOYSA-N 273.767 3.954 30 20 CHED C=CCCCCN1CCc2c(ncn2-c2ccccc2)C1 583303803 VPUIXEJYMQGVGQ-UHFFFAOYSA-N 281.403 3.587 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CC[C@@H](F)C1 583462204 YQRIBGOTBPNINY-MNOVXSKESA-N 272.245 3.880 30 20 CHED N#CCCCCCC(=O)NCc1cccc2ccccc12 588154867 ZNFJJTIJAPHKSB-UHFFFAOYSA-N 280.371 3.930 30 20 CHED COc1ccc([C@H](C)N(C)C(=O)CCCCCC#N)cc1 588274569 MLGVOXPLLBGPMY-AWEZNQCLSA-N 288.391 3.689 30 20 CHED N#Cc1ccc(Cl)c(C(=O)NC2(C(F)F)CCCC2)c1 589117093 CXWRIGLDVMPGIB-UHFFFAOYSA-N 298.720 3.519 30 20 CHED CCc1ccccc1Cc1noc(CCCCCC#N)n1 589149023 MHIWNRJKZSLFLF-UHFFFAOYSA-N 283.375 3.849 30 20 CHED N#CCCCCCC(=O)N[C@@H](c1ccccc1)C(F)F 590472006 XNPUZYPXFNVONM-AWEZNQCLSA-N 280.318 3.583 30 20 CHED CC1(C)C[C@@H](Nc2cccc(C#N)n2)c2cc(F)ccc2O1 593496364 OVJMLAOXDGTARM-CQSZACIVSA-N 297.333 3.807 30 20 CHED Cc1nc(SCC2(CC#N)CC2)n(CC(C)C)c1C 594881283 VWLHQYKAJUDHQJ-UHFFFAOYSA-N 277.437 3.942 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc([C@H](C)SCC)no2)C1 595659133 KYNKZKLDVCGZDZ-QWHCGFSZSA-N 295.452 3.672 30 20 CHED N#CCSCCCN1CC[C@H](C2CCCCC2)C1 595734520 NISVOMFGVPTFAN-HNNXBMFYSA-N 266.454 3.535 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(SC)ccc1Cl 597926132 WEBUHEYYTURCSC-MRVPVSSYSA-N 268.769 3.550 30 20 CHED Cc1c(C(=O)N2CC[C@H]3C[C@H]3C2)sc2ccc(C#N)cc12 598329562 KASMRSFDPBVBCA-STQMWFEESA-N 296.395 3.563 30 20 CHED CCN(C(=O)c1cc(F)c(Cl)cc1Cl)[C@@H](C)C#N 598348506 AYTKVODRYVKEFY-ZETCQYMHSA-N 289.137 3.507 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@@H]2CCCC)CC1 600870127 YYUQPCOIIOHLRM-JKSUJKDBSA-N 278.440 3.953 30 20 CHED Cc1ccc(NC(=O)C(C)C)cc1NC[C@H](C)CCC#N 602491672 CTNJMVNLPYGTTC-CYBMUJFWSA-N 287.407 3.941 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CCC[C@@H](C)C1 602526619 OWQOWAUCMPJWPY-OWCLPIDISA-N 278.440 3.501 30 20 CHED C/C(=C\c1ccccc1)CN(C)C[C@H](C)CCC#N 602632015 BLHYNDVHJMKRPE-XYGUXCPDSA-N 256.393 3.962 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 604332700 ZUPKNFMXBITLHH-QGZVFWFLSA-N 290.366 3.782 30 20 CHED N#Cc1cnc(NCc2cc3ccccc3o2)c(Cl)c1 608886106 WFJVJXWOJXJBLY-UHFFFAOYSA-N 283.718 3.965 30 20 CHED CCCC[C@H](CC)CC(=O)N(CCC#N)C(C)C 609762242 FSSSFPTUZMUULJ-AWEZNQCLSA-N 252.402 3.744 30 20 CHED C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 610407254 SNRKQQNXLUGKPT-GRDNDAEWSA-N 299.418 3.839 30 20 CHED N#Cc1c(F)cccc1N[C@H]1COc2c(Cl)cccc21 610709879 HZFRAVOFKWVQSJ-AWEZNQCLSA-N 288.709 3.896 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1ccc(C2CC2)cc1 611330668 PRVROSTYPAZCEQ-UHFFFAOYSA-N 283.375 3.722 30 20 CHED Cc1oc2ccccc2c1CN1CCC[C@@](C)(C#N)C1 612405627 BMTAGTJSQFOTNJ-KRWDZBQOSA-N 268.360 3.867 30 20 CHED COc1cccc([C@@H](C)c2noc(C3(C#N)CCCC3)n2)c1 612918158 UKFBNJMHQNNMAS-GFCCVEGCSA-N 297.358 3.565 30 20 CHED C[C@H]1SCCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H]1C 613426449 HLUBOMYRHMVBCD-VXGBXAGGSA-N 289.448 3.581 30 20 CHED CC(C)(C#N)c1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1 614171192 FJPIUSZCVYRTCK-HZPDHXFCSA-N 268.404 3.720 30 20 CHED C[C@H](N[C@H]1CCCc2cccnc21)c1cccc(C#N)c1 619611242 AELVWRIBBVGSCP-GUYCJALGSA-N 277.371 3.681 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@H]1CCc2ccccc21 620858735 PSEMRXRPCHZNHI-OAHLLOKOSA-N 271.404 3.968 30 20 CHED C=C(C)CN(CC1=CCCC1)Cc1cnn(C(C)C)c1 645911257 KIFDUVKTBVYTEA-UHFFFAOYSA-N 273.424 3.952 30 20 CHED C=CC[C@@H]1CCCN(Cc2cn(C(C)C)nc2C)C1 668493233 LCHFUJODMORVJU-OAHLLOKOSA-N 261.413 3.561 30 20 CHED C=CCC1(NCc2ccccc2C(F)(F)F)CCOCC1 668552767 SYKIXAHRKFAKKL-UHFFFAOYSA-N 299.336 3.920 30 20 CHED C=CCCCCCN1CCC[C@@H](C[C@H]2CCOC2)C1 683785707 OSAIUFFOPIJUGK-DLBZAZTESA-N 265.441 3.871 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](CCC)c1ccccn1 683831473 ZOMVFIWSWMBDPM-ZBFHGGJFSA-N 287.407 3.673 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(CC)C1CCCC1 685548617 HQZOHSOGQXAUEQ-ZDUSSCGKSA-N 276.428 3.747 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 706543256 NXHOLJWJOGAHKI-UHFFFAOYSA-N 288.734 3.552 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1ccc(C)c(C)c1O 728155548 RBFYFVLKPSQCTP-UHFFFAOYSA-N 299.330 3.753 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CSC(F)(F)F 732644415 SIPDXZALBMMYLI-UHFFFAOYSA-N 295.370 3.834 30 20 CHED C=CC[C@@H](NC(=O)N(CC)CCCC)c1ccncc1 734682176 AOADCMXWIGWAGX-OAHLLOKOSA-N 275.396 3.530 30 20 CHED C=CCCCOC(=O)C1(c2cccc(F)c2)CCC1 735525869 PQRBWDSJEDCKSK-UHFFFAOYSA-N 262.324 3.757 30 20 CHED C=CCCCOC(=O)c1ccc(Cl)nc1Cl 735535040 QTAGPORMKCIVPD-UHFFFAOYSA-N 260.120 3.511 30 20 CHED CCC[C@H](C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 735793649 WXLBJAQREKLOTQ-AAEUAGOBSA-N 283.375 3.874 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2cccc(OCC#N)c2)c1 739516635 YCPGNAQGWKPGAI-AWEZNQCLSA-N 294.354 3.640 30 20 CHED C=C(C)CNC(=S)N1C[C@H](C)C[C@@H]1c1ccccc1F 743010861 ZKODBVJPTMAAHG-IUODEOHRSA-N 292.423 3.659 30 20 CHED CCON=C1C[C@@H](C)c2c(Br)cccc21 743433716 DFRSGDSYCDOCQI-MRVPVSSYSA-N 268.154 3.697 30 20 CHED C=C(Cl)CNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 743620999 VDAHBIDHIMCIOO-YGRLFVJLSA-N 296.773 3.671 30 20 CHED C#CCN(C(=O)Cc1ccc(C)c(C)c1)C1CCCCC1 743692210 QNSMAMHTYWHLQU-UHFFFAOYSA-N 283.415 3.640 30 20 CHED C[C@@H](CCc1cccc(F)c1)C(=O)OCCCCC#N 744141250 SJSRMUPJGYQCOI-ZDUSSCGKSA-N 277.339 3.631 30 20 CHED CCCCCCCC(=O)Oc1ccc(OC)c(OC)c1 744323301 BHHBRZJGKJUMIK-UHFFFAOYSA-N 280.364 3.970 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)cc1 746347534 LYTYXZNWNXZVHM-KHPPLWFESA-N 299.333 3.640 30 20 CHED CCOc1ccc(/C=N/CCc2cccc(F)c2)c(O)c1 747715867 QTYBGUFSRRIGRP-XDHOZWIPSA-N 287.334 3.592 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc(O)c([N+](=O)[O-])c1 749613093 WKHMLAKICONAIL-UHFFFAOYSA-N 299.330 3.753 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 749788318 VLMRERVZTIYPGX-UHFFFAOYSA-N 298.773 3.807 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)C(C)C 749982222 XSJMKTOMHZVZBV-CQSZACIVSA-N 275.392 3.612 30 20 CHED CCc1noc(C)c1C(C)=NNc1ccc(F)cc1C 750939214 YKOWPYIXZRVUPE-UHFFFAOYSA-N 275.327 3.829 30 20 CHED CC(C)n1cc(/C=C2/Cc3c(F)cc(F)cc3C2=O)cn1 751535212 ICOADXCZUCGZGV-JYOAFUTRSA-N 288.297 3.565 30 20 CHED Clc1ccc(NN=C[C@@H]2CCOc3ccccc32)cn1 752166887 ZUFJGZJFTQRXKT-NSHDSACASA-N 287.750 3.699 30 20 CHED C#CCCCCN[C@@H](c1ccc(F)cc1)c1cccnc1 753684660 AMHNYVRDMHLSMY-SFHVURJKSA-N 282.362 3.703 30 20 CHED N#Cc1ccc(C(=O)OCc2cc3ccccc3s2)nc1 754812783 SGXGJWYMAIIIPB-UHFFFAOYSA-N 294.335 3.525 30 20 CHED CCCCCCCCNC(=O)c1cc2c(s1)CCOC2 754854097 LTDSZWOHQLIAOK-UHFFFAOYSA-N 295.448 3.911 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)cc1 755706034 QNZHJSUHKOZRHA-UTCJRWHESA-N 288.249 3.559 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cc(F)ccc1F 757474884 MJSDYPBLVQRHLZ-DAFODLJHSA-N 296.219 3.845 30 20 CHED CC(CC1CCOCC1)=NNc1c(F)cccc1F 757584303 NJNCRCUVFZYJHJ-UHFFFAOYSA-N 268.307 3.569 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@H]1CCC[C@H](C)C1)c1ccccc1 757765638 XHCQYFLJURBJBW-SZMVWBNQSA-N 298.430 3.971 30 20 CHED CCCCCCCC(=O)NC[C@@]1(C)CCCS1 758605304 FCOYDIXCLRUKPC-CQSZACIVSA-N 257.443 3.749 30 20 CHED CC1(C)Cc2cc(N=Cc3ccccc3O)ccc2O1 759116276 NDTGQYJOFWDONM-UHFFFAOYSA-N 267.328 3.856 30 20 CHED Cc1cc(C=NNc2cc(F)cc(F)c2)cnc1Cl 760252519 BEFIBWLFGOUSTI-UHFFFAOYSA-N 281.693 3.768 30 20 CHED CCCCCCCCc1nc(Cc2cccnc2)no1 761541415 OLOPHWKJLRRWCL-UHFFFAOYSA-N 273.380 3.958 30 20 CHED C[C@@H](NC(=O)C(F)=C1CCCC1)c1ccc(C#N)cc1 762598297 RFGAOYDEACSOCH-LLVKDONJSA-N 272.323 3.533 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C(F)=C1CCCC1 762602053 FPFIDWFSNFHEED-UHFFFAOYSA-N 289.325 3.585 30 20 CHED Cc1ccc(C=NNc2cccc(C(F)(F)F)c2)cn1 764887422 ZHOMOGROORRHHQ-UHFFFAOYSA-N 279.265 3.855 30 20 CHED Cc1ccc(C=NNc2cccc3c2CCCC3)cn1 764904761 NEYMDLGSMSPKTN-UHFFFAOYSA-N 265.360 3.715 30 20 CHED CC(C)O[C@@H]1CC(=NOCc2ccccc2)C1(C)C 764905163 HDDODRLRWSOXQA-OAHLLOKOSA-N 261.365 3.783 30 20 CHED CC(C)(C)C1CCC(=CC(=O)N2CCC(C#N)CC2)CC1 765338353 YYIKMUPMPJUWHP-UHFFFAOYSA-N 288.435 3.911 30 20 CHED CCCCC[C@H](C(=O)N[C@@H](C#N)C(C)C)C(C)C 766640517 ITFKQVFYYMKVKM-KBPBESRZSA-N 252.402 3.503 30 20 CHED CC#CCCCC(=O)OCc1ccccc1Br 767097823 CNAYSORVLAMJNB-UHFFFAOYSA-N 295.176 3.686 30 20 CHED C/C=C(/C=C\C(=O)OCc1ccc(OCC#N)cc1)CC 767659019 JOYUJWKKBRNILY-IKBKROPXSA-N 285.343 3.545 30 20 CHED COC(=O)c1ccc(C(C)=NN[C@@H](C)c2ccccc2)cc1 767780090 RAOYFQQASCIELE-ZDUSSCGKSA-N 296.370 3.548 30 20 CHED Cn1cc(Cl)cc1C(=O)OCCCCC(C)(C)C#N 768453990 GJUUIIQKJBPURZ-UHFFFAOYSA-N 282.771 3.555 30 20 CHED CC/C(C)=C(/C)C(=O)OCCCCC(C)(C)C#N 768844942 INBMSQIYYAIKIT-SEYXRHQNSA-N 251.370 3.996 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)Cc1ccc(F)cc1 770238174 IZUUWNUKJZZEHG-LBPRGKRZSA-N 296.345 3.823 30 20 CHED C=CCC[C@@H](NC(=S)NCCCC)c1ccccc1 771847190 DZDJBYRXQNSKBR-OAHLLOKOSA-N 276.449 3.958 30 20 CHED C=CCC[C@@H](NC(=S)NCC(=C)C)c1ccccc1 771852393 ZUTQSQJAUNZFMF-OAHLLOKOSA-N 274.433 3.734 30 20 CHED Cc1nc2sccn2c1C=NN[C@@H]1CCCCC1(C)C 773126483 SYIGBXRZURGXDD-CYBMUJFWSA-N 290.436 3.597 30 20 CHED O=C(/C=C/c1cc(F)c(F)cc1F)c1sccc1O 773142877 HGTHXZNYMRVTQO-OWOJBTEDSA-N 284.258 3.767 30 20 CHED C#CCCCCC(=O)OCc1ccc(F)cc1Cl 773634659 CAJGDUKMXJLZFE-UHFFFAOYSA-N 268.715 3.716 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1O 775413010 UJYZEIANOWVHSV-MRXNPFEDSA-N 284.334 3.644 30 20 CHED C=CCCCC(=O)Oc1cc(Br)ccc1F 777251798 QDGHJTJQIHRRBB-UHFFFAOYSA-N 287.128 3.850 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)Cc1ccccc1CC#N 777408916 NRPSZVDUEZBJCA-QAPCUYQASA-N 298.430 3.722 30 20 CHED N#Cc1ccc2[nH]cc(C=NOC3CCCCC3)c2c1 777456918 INCCXIVJGANELF-UHFFFAOYSA-N 267.332 3.723 30 20 CHED C=C(CC)CN[C@H](C(=O)OC(C)(C)C)c1ccccc1 777725127 HXUNWNGGVFQIMF-HNNXBMFYSA-N 275.392 3.625 30 20 CHED CCC(Cc1ccccc1)=NNc1cccc(OC)n1 779818627 AIXXICFRQLMYLK-UHFFFAOYSA-N 269.348 3.511 30 20 CHED C#CCCCCCC(=O)N(C)c1cccc(SC)c1 779903522 NJZKUQHJGLJLPX-UHFFFAOYSA-N 275.417 3.955 30 20 CHED C/C(=C/C(=O)Nc1ccccc1O[C@H](C)C#N)C(C)(C)C 780147404 GYPDKRHWEZCUGX-KXXVWKPMSA-N 286.375 3.908 30 20 CHED Cc1cc(/C=C2/Cc3cc(O)ccc3C2=O)cnc1Cl 780187196 CUKFDDOBMKIPSN-XGICHPGQSA-N 285.730 3.571 30 20 CHED CCn1cc(C=NNc2ncncc2Cl)c2ccccc21 780280756 SLVDNGHRHRNXLS-UHFFFAOYSA-N 299.765 3.551 30 20 CHED CCCCCCCCNC(=O)c1csnc1C 781350521 GKDKSETYZGXLDZ-UHFFFAOYSA-N 254.399 3.542 30 20 CHED Fc1cccc(C2CC(=NNCc3ccccc3)C2)c1 781584004 LJZGHOKVZFDDQP-UHFFFAOYSA-N 268.335 3.849 30 20 CHED Clc1csc(C=NNCc2ccccc2)c1 782166201 IYTWDESNTZITDT-UHFFFAOYSA-N 250.754 3.525 30 20 CHED CC(C)(C)CCNN=Cc1ccccc1Br 782907711 NREYWDOQICJRFG-UHFFFAOYSA-N 283.213 3.809 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@H]1CCOc2ccccc21 786636308 DEKQIUWUXKJXCF-HOCLYGCPSA-N 260.333 3.656 30 20 CHED CC[C@@H](CC#N)OC(=O)c1c(C)[nH]c2ccc(Cl)cc12 787084603 PIBXMPLYCRANIE-NSHDSACASA-N 290.750 3.979 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2csc(Cl)c2)c1 787186139 MBLLGPXZPUFULI-PLNGDYQASA-N 292.743 3.996 30 20 CHED C#CCC1(C(=O)NC[C@@H](SC)C(C)(C)C)CCCCC1 788242385 CXHIHXJJYGTPEV-CQSZACIVSA-N 295.492 3.854 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C2CCC23CCCC3)o1 788712541 KCTGESLKCMZHAE-UHFFFAOYSA-N 286.379 3.966 30 20 CHED C#CCC1(C(=O)N(C)[C@H](C)CCSCC)CCCCC1 789647633 IZKSMCWOSXQYBP-OAHLLOKOSA-N 295.492 3.950 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H](c2ccccc2)CC1 791070096 QUELXZCUTZVGOY-QZTJIDSGSA-N 298.430 3.768 30 20 CHED FC(F)Oc1cccc(C=NNc2cccc(Cl)n2)c1 793175479 VKKPJUDYYDEJAD-UHFFFAOYSA-N 297.692 3.782 30 20 CHED C[C@H]1CSCC1=NNc1ccccc1OC(F)(F)F 794930949 NCFSCQGHQSAFSO-QMMMGPOBSA-N 290.310 3.736 30 20 CHED Fc1cccnc1NN=Cc1ccc(C(F)(F)F)s1 794993049 HYBXFTJVZOAXFM-UHFFFAOYSA-N 289.257 3.747 30 20 CHED C=C(C)CNC(=S)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 795005411 ULDRUVKQUJTEDW-ZFWWWQNUSA-N 292.423 3.502 30 20 CHED C[C@@H](O)c1cc(NCc2ccc(C#N)cc2F)ccc1F 796518596 IZMQYGPJCZUFHH-SNVBAGLBSA-N 288.297 3.502 30 20 CHED CC[C@@H](SC)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797567426 HUYRTJHTQCKDMR-VHSXEESVSA-N 296.461 3.758 30 20 CHED FCCC[C@H]1CCCC1=NNC(=S)Nc1ccccc1 800806440 YAOFBQXJVWKHDU-GFCCVEGCSA-N 293.411 3.879 30 20 CHED CC(C)Oc1cccc(CNC(=O)CCCCCC#N)c1 805166518 NKHZSYVKMSNCOA-UHFFFAOYSA-N 288.391 3.564 30 20 CHED N#CCCCCCC(=O)OCc1ccc2occc2c1 805999396 NZOMSACJHVEQIO-UHFFFAOYSA-N 271.316 3.950 30 20 CHED Clc1cccc(C2CC(=NN[C@@H]3CCSC3)C2)c1 808004038 CKNAMVFYEAYLHY-GLGOKHISSA-N 280.824 3.669 30 20 CHED C#Cc1ccc(CN[C@H](C(C)C)[C@H](O)c2ccccc2)cc1 809657162 WIWHLHQFDXAVAW-WOJBJXKFSA-N 293.410 3.516 30 20 CHED C#C[C@@H](N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1)C(C)C 809685127 ATDBGXXFYXEUDR-RHSMWYFYSA-N 280.415 3.581 30 20 CHED C#Cc1ccccc1Cc1nc(Cc2ccc(C)cc2)no1 810279209 SMBQRPQNHGSXAD-UHFFFAOYSA-N 288.350 3.541 30 20 CHED COc1cccc(/C=C2\Cc3ccc(C#N)cc3C2=O)c1F 811695389 FMJHAYKJSSPPGQ-NTEUORMPSA-N 293.297 3.528 30 20 CHED CC(=NNc1ccccc1C(=O)O)C1CCCCC1 812441845 HJDMSNZNSZHIAC-UHFFFAOYSA-N 260.337 3.753 30 20 CHED CC(=NNc1ccc(Cl)nc1)[C@H](C)CCCCC(=O)O 814858597 DCYKBEXEARMBMU-SNVBAGLBSA-N 297.786 3.804 30 20 CHED CCCC[C@](C)(F)C(=O)N[C@@H](C)c1ccc(C#N)cc1 821048531 DGUCHOXRGUOXQV-LRDDRELGSA-N 276.355 3.654 30 20 CHED C=CCC1(NC2CCC(C(F)(F)F)CC2)CCOCC1 827147651 URVWTTAPUQWLPM-UHFFFAOYSA-N 291.357 3.822 30 20 CHED C[C@@H](CNC(=O)CC1(C#N)CCCCC1)C(C)(C)C 827884844 JQAQUGXHOVQYFP-ZDUSSCGKSA-N 264.413 3.649 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccccc1Cl 833387025 KQAUVTFZFDTHKM-UHFFFAOYSA-N 288.734 3.874 30 20 CHED C=C(CC)CNC(=O)c1ccccc1SC(F)(F)F 837100636 JAWODWUCGOHSIE-UHFFFAOYSA-N 289.322 3.995 30 20 CHED Cc1ccc(NC(=O)C#CC(C)(C)C)cc1-c1ncco1 837473918 AKGNNFGZLQMBSL-UHFFFAOYSA-N 282.343 3.638 30 20 CHED CCCCCCCC(=O)N(C)c1ccc(F)cn1 839416527 MNSNMABQMKZSFW-UHFFFAOYSA-N 252.333 3.544 30 20 CHED Oc1nc2ccccc2cc1/C=N/[C@@H]1CCCC[C@H]1F 840712282 IHJBYUYMONQOJA-ANRBODTLSA-N 272.323 3.640 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(C3CC3)c2)n(C)n1 841487212 OUKRVMBLGLBXTK-HJWRWDBZSA-N 266.344 3.502 30 20 CHED CC(=NNc1oc(C)nc1C#N)[C@@H]1C[C@H]1c1cccs1 841619260 LYLMJQDLRCMIBV-WDEREUQCSA-N 286.360 3.508 30 20 CHED COC[C@@H](C)NN=C1CC[C@@H](c2cccc(Cl)c2)C1 841632839 XFMNEHPHAJQHCC-DGCLKSJQSA-N 280.799 3.588 30 20 CHED N#CC1(COC(=O)c2cccc3ccncc23)CCCCC1 842757125 RDTWITUGMPEDDX-UHFFFAOYSA-N 294.354 3.866 30 20 CHED C=CCNC(=S)Nc1ccc(N(CCC)CCC)cc1 844586272 LVUBRDTUDBSOBF-UHFFFAOYSA-N 291.464 3.785 30 20 CHED C=CCC1(C(=O)OC[C@@H](CC)CC(F)F)CCC1 845762493 JXEJAUZRSHUUIW-NSHDSACASA-N 260.324 3.957 30 20 CHED C=CCC[C@@H](C)OC(=O)CCC(=O)c1c(F)cccc1F 850274610 YFYNEWOABYZQPO-LLVKDONJSA-N 296.313 3.826 30 20 CHED C#CC[C@H](OC(=O)CCc1cccnc1Cl)C(C)(C)C 850947705 JRFICBXQUGICCV-ZDUSSCGKSA-N 293.794 3.649 30 20 CHED C=CCN1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C 852598716 WDIIYUJXHHMJQA-HUUCEWRRSA-N 296.455 3.578 30 20 CHED CCCc1cccc(/C=C2/CCn3nccc3C2=O)c1 853009404 ILLUZQXJCBSOKJ-QINSGFPZSA-N 266.344 3.506 30 20 CHED C=C(Cl)CSCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 853783573 MCOAKPIZLOVKCX-STQMWFEESA-N 287.856 3.653 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)[C@@H]1c1ccncc1 854043631 OWZQTRCBJBXKHK-QGZVFWFLSA-N 295.361 3.675 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccc(C#N)o1 855214211 JIXPQMFQNQREFV-HNNXBMFYSA-N 294.354 3.745 30 20 CHED C=CCN[C@H](C)c1ccc(C(F)(F)F)nc1Cl 856778106 HPFDRBINLCGEEL-SSDOTTSWSA-N 264.678 3.590 30 20 CHED C#CCCOC(=O)N[C@@H](CCC)c1ccc(F)cc1F 859060960 FENJMHIPCUIWIY-AWEZNQCLSA-N 281.302 3.556 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(SC)cc1 860194718 VWZDXTBVYNNSHP-UHFFFAOYSA-N 277.389 3.782 30 20 CHED CC(=NNc1cccc(C)n1)[C@H](C)c1ccccc1 863160145 SDCTZRZLYGSIOT-ZDUSSCGKSA-N 253.349 3.982 30 20 CHED CCCc1ccc(C(=O)OCCCCC#N)s1 869936217 ZJPDOIQGZYTMOD-UHFFFAOYSA-N 251.351 3.551 30 20 CHED Cc1ccncc1-c1cccc(C2(C#N)CCOCC2)c1 871888300 XMYFCECZKBXSSZ-UHFFFAOYSA-N 278.355 3.629 30 20 CHED CC(C)CN(CCC#N)C(=O)C/C=C\Cc1ccccc1 874231334 JRMWTELAATYMOJ-SREVYHEPSA-N 284.403 3.574 30 20 CHED CN(C(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1ccc(C#N)c(Cl)c1 876168179 KQWCRFOLHLOVRY-MJVIPROJSA-N 288.778 3.611 30 20 CHED CON=Cc1ccc(C(=O)Oc2cccc(Cl)c2)cc1 876477768 NXIBDTXXRYYXAS-UHFFFAOYSA-N 289.718 3.540 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccccc2O)cc1 877756551 QXJMYXKETRJYAE-ZIAGYGMSSA-N 296.370 3.534 30 20 CHED C=CCC[C@@H](C(=O)N(C)CCCF)c1ccccc1 895297517 YFSZQVBKWLTSBA-OAHLLOKOSA-N 263.356 3.554 30 20 CHED C=C1CN(C(=O)C[C@H](C)c2ccccc2C(F)(F)F)C1 898697135 QQCZLXDVRGKEBY-NSHDSACASA-N 283.293 3.597 30 20 CHED Cc1cc(C(=O)/C=C/c2cnn(C3CCC3)c2)ccc1O 899352897 GAXVCNJTQYOBJW-FNORWQNLSA-N 282.343 3.518 30 20 CHED N#CCC1(CSc2nc3ncc(Cl)cc3o2)CC1 901674339 ZARVWJRLAZUSSZ-UHFFFAOYSA-N 279.752 3.662 30 20 CHED CC[C@H](NCCC1(OC)CCC1)c1cccc(C#N)c1 903000578 LJUXTRJRTGBYOW-INIZCTEOSA-N 272.392 3.558 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(C2CC2)c1 908666148 BOLXXVWNRZJNDA-QGZVFWFLSA-N 297.398 3.704 30 20 CHED Cc1cccc(NN=Cc2ccc(N(C)CCC#N)cc2)c1 916255297 PYGMEVOPKKBEFZ-UHFFFAOYSA-N 292.386 3.791 30 20 CHED CC(C)CC(CC(C)C)=NNc1ccc(Cl)nn1 916288397 YYGNYWDXGCGIPO-UHFFFAOYSA-N 268.792 3.990 30 20 CHED CC(=NNCc1ccccc1)c1ccccc1OC(F)F 916343798 HTZIEXXMEZCCTG-UHFFFAOYSA-N 290.313 3.802 30 20 CHED CCCCCCCOC(=O)Cc1ccc(C(C)=O)cc1 918493683 DYRACECBSOGZKP-UHFFFAOYSA-N 276.376 3.945 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cccc(F)c1 920386123 QPEWJVKMGKAIDJ-LBPRGKRZSA-N 256.324 3.901 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(C)cc2)c1C 920927666 HCUPCBBIGOWIMC-KHPPLWFESA-N 268.360 3.724 30 20 CHED CCC1CC(=O)C(=CN[C@H](C)CCCC(C)C)C(=O)C1 920976943 UHBYRZXODDUFDT-KWCCSABGSA-N 279.424 3.633 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1cccc(Cl)c1 921220138 WHOWBTGUMGAVQE-NWDGAFQWSA-N 282.767 3.925 30 20 CHED CC(C)Oc1cccc(C=NNc2ccc(C#N)cc2)c1 921258157 NOBIHZTYVRIDSC-UHFFFAOYSA-N 279.343 3.791 30 20 CHED CCc1onc(C)c1NCc1cccc(OCCCC#N)c1 922136746 YVQLIHTWYRALCP-UHFFFAOYSA-N 299.374 3.840 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1cccnc1N(C)C)C2=O 1117349954 FFSJATXUZDQODA-KWWJGWKXSA-N 292.382 3.839 30 20 CHED CC[C@H](C(=O)N[C@H](C#N)C1CCCC1)c1ccc(F)cc1 1119446789 XNMYYTWQZFEGKK-JKSUJKDBSA-N 288.366 3.518 30 20 CHED C=C(C)COc1cccc(NC(=O)NCCCC(F)F)c1 1119692996 UJRUNIJXWWDJEW-UHFFFAOYSA-N 298.333 3.808 30 20 CHED C=C(C)CCC(=O)N1CCc2ccccc2C1(C)C 1120727819 AZQCIYWBXAMKCE-UHFFFAOYSA-N 257.377 3.663 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1sc(CC)nc1C 1120733948 SWGKZHPIRPZROO-GFCCVEGCSA-N 278.421 3.585 30 20 CHED C=C(C)CCC(=O)N[C@](C)(CC)c1nc(C)cs1 1120949907 LJQWVYSELOAZEQ-CQSZACIVSA-N 266.410 3.549 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c1 1129687897 OFEFQRHMQADUSW-VXGBXAGGSA-N 270.376 3.878 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1csc(C#N)c1 1129864053 MVAMFKGDWWBZQB-CHWSQXEVSA-N 290.432 3.956 30 20 CHED CSc1cc(C)ccc1NC(=O)c1cc(C#N)oc1C 1129953411 YJRORVRJGVSDQI-UHFFFAOYSA-N 286.356 3.742 30 20 CHED N#Cc1cc(NC(=O)c2ccoc2C2CC2)c(F)cc1F 1132690318 XBZISAUMIFCGDF-UHFFFAOYSA-N 288.253 3.559 30 20 CHED C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)c1ccccc1 1185023740 RDGNXGSCUDUAAM-LLVKDONJSA-N 283.306 3.580 30 20 CHED O=C(CC#Cc1ccccc1)OCC1CCC(F)(F)CC1 1261293483 NUOFBDPGJXOQDL-UHFFFAOYSA-N 292.325 3.797 30 20 CHED N#CC1(CC(=O)OCc2cnc(Cl)s2)CCCCC1 1261598201 SKTCPAYMLWXEPB-UHFFFAOYSA-N 298.795 3.704 30 20 CHED COc1cccc(NC(=O)[C@@H](CC#N)c2ccccc2)c1C 1279287225 VMQPHDAJCQLGMR-HNNXBMFYSA-N 294.354 3.640 30 20 CHED COc1cccc(CNc2nc(Cl)c(C#N)s2)c1C 1307171399 UIQHZJWRUVWWPS-UHFFFAOYSA-N 293.779 3.597 30 20 CHED CCn1c(SCc2cc(C#N)ccn2)nc2ccccc21 1307236206 GXSJBNNMHFOUST-UHFFFAOYSA-N 294.383 3.615 30 20 CHED CCCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1C 1308859455 LVXRHWDDCUWMIE-MRXNPFEDSA-N 286.419 3.910 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H]1CCSc2ccccc21 1319856694 XJNQEIWVKFUATA-GXTWGEPZSA-N 292.400 3.748 30 20 CHED Cc1ccc(C=NNCc2ccc(F)cc2)cc1C 1323961434 BKZINMKNRGFLJM-UHFFFAOYSA-N 256.324 3.566 30 20 CHED Cc1ccc([C@H]2CCCN2c2cccc(CC#N)n2)cc1 1325710278 OHNJRJVYNAMZQF-QGZVFWFLSA-N 277.371 3.798 30 20 CHED C=CCCCCCn1cc(CNC(=O)OC(C)(C)C)cn1 1326593370 OFJMXTWGKFJZGL-UHFFFAOYSA-N 293.411 3.654 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc2c(c1)oc1ccccc12 1329460677 AIMKMADIRFCGRG-LLVKDONJSA-N 265.312 3.890 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(SC(F)(F)F)c1 1329514809 KUIUYGLNWCELMG-VIFPVBQESA-N 289.278 3.757 30 20 CHED C=C(C)CCC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 1337087581 JJWUAGMYAMUMDP-SJLPKXTDSA-N 287.403 3.627 30 20 CHED CCO[C@H]1C[C@@H](Nc2cccc(CC#N)n2)C12CCCCC2 1338243870 LPAMRAUAYHFIKK-CVEARBPZSA-N 299.418 3.687 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc1 1339102252 JSECKWBOAJFWIS-BZUAXINKSA-N 298.386 3.603 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1sc(C(C)(C)C)nc1C 1342734493 XVZKIXZGOXJDJI-PWSUYJOCSA-N 282.453 3.601 30 20 CHED CC1(C(=O)[C@H](C#N)c2cccc(F)n2)CCCCCC1 1343331301 LNMXASDFVIUAAJ-GFCCVEGCSA-N 274.339 3.757 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)Cc1ccoc1)c1cccs1 1345146745 HHPLBNRPLOPKLO-IUODEOHRSA-N 289.356 3.718 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(F)cc(C#N)c1 1345372187 YENKJPVDJQSJKP-HNNXBMFYSA-N 287.338 3.660 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1345432896 LAMSOSFHQJEBTG-XPTSAGLGSA-N 282.746 3.596 30 20 CHED C=CCn1cnnc1SCc1ccccc1C1CC1 1349825808 YZCOWLJYQMUDSC-UHFFFAOYSA-N 271.389 3.634 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(C)nc1Cl 1350001493 ARHAEZVFLLDTCK-UHFFFAOYSA-N 296.798 3.745 30 20 CHED CCCC[C@H](C(=O)Nc1cccc(C#N)c1)C(C)C 1351937033 MRBNZGYQXMEJHS-HNNXBMFYSA-N 258.365 3.959 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)cc1)C1CCCCCC1 1515018925 IFLZALUQVJPSOG-ZDUSSCGKSA-N 270.376 3.647 30 20 CHED C=C(CC)C(=O)N(CC)Cc1ccc(Cl)s1 1518833200 CXLXOEORVRLGAW-UHFFFAOYSA-N 257.786 3.716 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1cccc(C#N)c1 1521495341 NLYKOCPQCULLKM-CYBMUJFWSA-N 264.328 3.609 30 20 CHED CCC[C@H](NC(=O)c1ccsc1C#N)C1CCCC1 1528197727 MZQSHIDHSIXQHY-ZDUSSCGKSA-N 276.405 3.708 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc3c2CCCC3)C1 1583566644 YOIYUXAHAVBFFC-UKRRQHHQSA-N 283.371 3.805 30 20 CHED CCCN(C(=O)c1ccc(C#N)cc1)c1ccccc1F 1586318137 GSAXPNQSLZFMAW-UHFFFAOYSA-N 282.318 3.754 30 20 CHED CC(C)C[C@@H](C)CN1CCCN(c2ccccc2C#N)CC1 1615417792 KCGXDLHBEWBNTH-QGZVFWFLSA-N 299.462 3.753 30 20 CHED COc1ccc(CN[C@H](C)[C@H]2CCCC[C@H]2C)cc1C#N 1621498550 ZYENWLMOOCPLLP-CPUCHLNUSA-N 286.419 3.871 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1ccc(F)cc1 1642372120 TXOMFSXBEQHVAY-SFHVURJKSA-N 282.362 3.981 30 20 CHED CC(C)(C)[C@@H]1CCCN1CCc1ccc(C#N)cc1 1644728784 MTEJPZURJUBYPH-INIZCTEOSA-N 256.393 3.611 30 20 CHED N#Cc1ccccc1SCc1ncccc1Cl 1651816065 QNMPQWGBRWIWLO-UHFFFAOYSA-N 260.749 3.899 30 20 CHED N#Cc1ccc(COc2cccc(Cl)c2F)s1 1652782826 NIYIGNNZANIVBR-UHFFFAOYSA-N 267.712 3.991 30 20 CHED CCc1cccc2cc(CNCc3ccc(C#N)cn3)oc12 1662572404 VCXYBSYBDDKDAR-UHFFFAOYSA-N 291.354 3.552 30 20 CHED Cc1cccc(N(C)C(=O)Nc2ccc(C#N)c(F)c2)c1 1678225673 UBRJPZZPHUAFOA-UHFFFAOYSA-N 283.306 3.674 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CCCC[C@@H](C)C1 1740810603 XHTCNAUOTBPTGZ-LLVKDONJSA-N 294.830 3.534 30 20 CHED CC[C@@H]1CCCC(=NNc2ccc(C(=O)O)nc2)CC1 1776071487 BPHLBWQTSAZFQO-LLVKDONJSA-N 275.352 3.538 30 20 CHED CCc1cccc(/C=C/C(=O)c2ccc(C(=O)O)s2)c1 1776974923 WOEOBQVSPAHSOD-VOTSOKGWSA-N 286.352 3.905 30 20 CHED N#Cc1cccc(CN(Cc2ccco2)Cc2ccco2)c1 16418621 OQKVJMHPIPGKQU-UHFFFAOYSA-N 292.338 3.947 30 20 CHED N#CCCOc1ccc(OCc2ccccc2)cc1 19510645 OWCLZLLJUQSLPC-UHFFFAOYSA-N 253.301 3.558 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccsc1 23986669 CZXOKOSWZAQJEJ-CQSZACIVSA-N 270.357 3.501 30 20 CHED Cc1cc2occ(CC(=O)O[C@H](C)C#N)c2cc1C(C)C 28874555 HKDOTZJVOHFMCP-GFCCVEGCSA-N 285.343 3.862 30 20 CHED N#CCCNCc1c(Cl)ccc(Cl)c1Cl 35054842 ZIFIPMPSBKJPGA-UHFFFAOYSA-N 263.555 3.650 30 20 CHED C=CCOc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 41515995 SEBOUWORFVNJAX-CQSZACIVSA-N 298.367 3.506 30 20 CHED N#Cc1ccc(CNCCc2ccc(Cl)cc2)c(F)c1 42336090 WOINYCHOZFRIPE-UHFFFAOYSA-N 288.753 3.683 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2ccccc2Cl)n1 43399363 MYAVNXZLLSZKQW-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CN(Cc1ccccc1Cl)C(=O)C1(C#N)CCCCC1 44385526 FTVJAFPGWHOUGU-UHFFFAOYSA-N 290.794 3.772 30 20 CHED CCC1CCC(CNC(=O)c2ccc(C#N)cc2)CC1 44569207 AEOFWTVVVCPZAX-UHFFFAOYSA-N 270.376 3.504 30 20 CHED N#C[C@H](C(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 46440584 SUWODYCRZCLVOS-GFCCVEGCSA-N 295.729 3.706 30 20 CHED C=CCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 47830048 HXWISCODKXTYSP-UHFFFAOYSA-N 278.661 3.666 30 20 CHED CCN(Cc1cc(C#N)ccc1F)c1ccc(F)cc1 48353367 UGVUHQNSPXKDNO-UHFFFAOYSA-N 272.298 3.863 30 20 CHED Cc1ccccc1NC(=O)CSc1ccc(C#N)cc1 48512078 NCUYCSLQYDNISX-UHFFFAOYSA-N 282.368 3.598 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1)C(=O)Nc1ccccc1 48512088 OADQTCNQFFSHMV-GFCCVEGCSA-N 282.368 3.678 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2cccc(CC)c2)nc1 57679345 LVYKNLLUNBCHGX-UHFFFAOYSA-N 297.358 3.744 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC1(C)CCCC1 66668887 GVSIKANRTSADSN-UHFFFAOYSA-N 271.364 3.569 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1SC 69360146 RMMLEEKXDIHPHP-JTQLQIEISA-N 299.823 3.982 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H](C)CC)c1 76831301 GBHVGRVXDJXRCW-AWEZNQCLSA-N 281.355 3.840 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)c2ccccc2)n1 80457614 LDZJEVCRPMUFMQ-GFCCVEGCSA-N 270.357 3.757 30 20 CHED C=CCN(C)Cc1ccc(Cl)cc1Br 82146256 UQJKIGZKSFHWFD-UHFFFAOYSA-N 274.589 3.720 30 20 CHED CC(C)(C)c1cc(NC(=O)C2CC=CC2)c(C#N)s1 91208788 BWMFZHKDXJRORY-UHFFFAOYSA-N 274.389 3.822 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1cc(F)cc(F)c1 94826979 OIJTWBKJFRLNFL-NSHDSACASA-N 272.298 3.687 30 20 CHED CCN(CCCCC#N)[C@H](C)c1ccc(C#N)cc1 102397492 YNWJSGKSDAYVQW-CQSZACIVSA-N 255.365 3.635 30 20 CHED N#Cc1c(F)cccc1Oc1ccc(C=O)cc1Cl 112012555 IGAKCQVVYYPYEM-UHFFFAOYSA-N 275.666 3.956 30 20 CHED Cc1ccc(C)c(COc2ccc(C#N)c(F)c2)c1 113649721 MJIRAKYILLLSJG-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N1CCC(C#N)CC1 116183978 JCMNEMAARJDBQR-INIZCTEOSA-N 276.424 3.601 30 20 CHED C=CCCCOC(=O)c1csc(Cc2ccccc2)n1 117994260 VRUBQJQADRVBKV-UHFFFAOYSA-N 287.384 3.857 30 20 CHED C=C[C@H](CC(=O)N1CC(C)(C)C1(C)C)c1ccccc1 119193707 ZVVANJHMZCMFDJ-CQSZACIVSA-N 271.404 3.993 30 20 CHED CC(C)Cc1ccc(CCC(=O)N2CCC(C#N)CC2)cc1 119815653 ZJXRIQQXKNIYKR-UHFFFAOYSA-N 298.430 3.580 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccc2ccccc2c1 119858838 WMLLUGYKWPECPH-GFCCVEGCSA-N 267.332 3.606 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@H](C)C1)c1ccccc1 121625380 WCDWICGXVHBDFF-GJZGRUSLSA-N 257.377 3.605 30 20 CHED Cc1cccc([C@@H](C)C(=O)[C@H](C#N)c2nc(C)cs2)c1 123797731 YZPQUWZAHNFKNO-OCCSQVGLSA-N 284.384 3.740 30 20 CHED N#CCN(C(=O)c1cc(F)c(F)cc1Cl)C1CCCC1 125183419 JDGHAXVKWDTDCQ-UHFFFAOYSA-N 298.720 3.527 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 125852248 SDQKJOFKXCQBQU-BBRMVZONSA-N 270.376 3.710 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1c(C)nn(C)c1C 126461614 OYFWQGCFBOSDAD-CYBMUJFWSA-N 293.455 3.763 30 20 CHED COCCC1(CNc2cc(C#N)ccc2C(F)(F)F)CC1 127638650 CMUDFFQQNWMYIT-UHFFFAOYSA-N 298.308 3.806 30 20 CHED N#Cc1ccccc1Oc1cc(Cl)nc(C2CC2)n1 131487828 QKKAZDXCCLUGKT-UHFFFAOYSA-N 271.707 3.671 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](C)[C@H](C)C1)c1ccccc1 132188986 MLHBCMUYCSJLHJ-ARFHVFGLSA-N 271.404 3.851 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 134386338 IABHVYJKUJPGRQ-XJKSGUPXSA-N 285.391 3.991 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(Cl)cn1 134851611 CLRGUYKZIRPXAR-UHFFFAOYSA-N 293.798 3.527 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](c1cccnc1)C(C)C 135104251 BNJHYXNDZSYECC-RDJZCZTQSA-N 274.408 3.540 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 135361014 JRPVONJGVDSJRM-OAHLLOKOSA-N 285.391 3.797 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)s2)s1 135686359 BVXWDCWYWMFDHL-JTQLQIEISA-N 262.403 3.841 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1cc(F)ccc1OC 135720522 FQRMXFSWNVZBKG-NEPJUHHUSA-N 251.345 3.840 30 20 CHED C#CCCCCNC(=O)N[C@H](CC)c1ccc(F)cc1F 150905895 KZSFZCMHWSCXLV-OAHLLOKOSA-N 294.345 3.519 30 20 CHED N#Cc1cccc(CNCc2ccc(F)c3cccnc23)c1 151376057 CGPBKELQGFNYFG-UHFFFAOYSA-N 291.329 3.535 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C1CCCC1)C(F)(F)F 151788447 GBQLGBUSWOFYJA-CYBMUJFWSA-N 289.341 3.992 30 20 CHED C#Cc1cccc(NCc2c[nH]nc2-c2ccc(C)cc2)c1 158296574 SZFYLORDGHQMEM-UHFFFAOYSA-N 287.366 3.979 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)Cc2ccc(C#N)cc2)c1 171719236 URJDVUARCBIQLE-HNNXBMFYSA-N 292.382 3.595 30 20 CHED C=CC1CCN(C(=O)/C=C(\C)c2ccccc2)CC1 171882713 WJSKIYVNGIAGNY-BUHFOSPRSA-N 255.361 3.515 30 20 CHED C=CCCCC(=O)N[C@H](C1CCCC1)C(F)(F)F 177625136 SZESRRNCDZPLAF-GFCCVEGCSA-N 263.303 3.580 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC(C)(C)C1 179273558 YCEFFDZFROXMSY-INIZCTEOSA-N 284.403 3.733 30 20 CHED C#CCCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 180653760 YWENGMBGUYLSFL-IBGZPJMESA-N 279.383 3.788 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1ccc(C#N)s1 182254537 WVUBGQRBCGJADA-BQYQJAHWSA-N 299.351 3.533 30 20 CHED CSc1ccccc1C[C@@H](C)NCCCCC#N 183490126 DISABOQDZPLPDW-CYBMUJFWSA-N 262.422 3.623 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1c(C)cccc1SC 184636084 KUZNKZFBIBTKTC-LBPRGKRZSA-N 279.405 3.637 30 20 CHED N#Cc1ccc(CNc2c[nH]nc2-c2ccccc2)s1 184751349 LQRRDBMATHIXGR-UHFFFAOYSA-N 280.356 3.622 30 20 CHED C#Cc1cccc(N(C(=O)CCCC#CC)C(C)C)c1 185671604 RFNQXRTWGDOCNZ-UHFFFAOYSA-N 267.372 3.603 30 20 CHED C=C(C)COCCN[C@@H](C)c1csc(C(C)C)n1 186420712 VVDOVODBBLTLPC-LBPRGKRZSA-N 268.426 3.510 30 20 CHED C=C(C)[C@@H](NCc1cccnc1)c1ccc(F)c(F)c1 187373074 AAQFRIBBGIHACM-MRXNPFEDSA-N 274.314 3.767 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(F)c1C#N 188200207 IKAMMPAYINHQQB-UHFFFAOYSA-N 274.339 3.516 30 20 CHED N#CC1(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CCCC1 189614892 IOTJQQLWKXTQCM-IAGOWNOFSA-N 296.414 3.598 30 20 CHED C[C@@H](Sc1cc(C#N)ccn1)c1cccc(C#N)c1 189835896 VEYLHJNZDSDYNB-LLVKDONJSA-N 265.341 3.678 30 20 CHED N#Cc1ccc(C(=O)N2CCC=Cc3ccccc32)cc1 190124194 YNXVVJQMGZYVPM-UHFFFAOYSA-N 274.323 3.622 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCCOc1ccccc1 190440593 ZALXWGIVAYLIIA-KRWDZBQOSA-N 275.392 3.516 30 20 CHED C#CCCCC(=O)Nc1cccc(OC2CCCC2)c1 192063876 ZUUAGWBGXXVRCZ-UHFFFAOYSA-N 271.360 3.750 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H](C)C1CCSCC1 192699781 RXYRCEDQRUGPGF-LBPRGKRZSA-N 290.432 3.901 30 20 CHED CCC1CCC(c2noc(-c3cc(C#N)cn3C)n2)CC1 230999094 DMEXORXGEZJSFQ-UHFFFAOYSA-N 284.363 3.631 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)c1ccc(F)cc1F 232526160 HDGVUZBQOPWVNO-LJQANCHMSA-N 285.359 3.792 30 20 CHED N#Cc1cc(F)ccc1CN1CCS[C@@H]2CCCC[C@H]21 246076660 DKAHNSRLZNKLLK-HZPDHXFCSA-N 290.407 3.557 30 20 CHED CCO[C@@H]1C[C@H](N[C@H]2CCC[C@H](C#N)C2)C12CCCCC2 248882424 RTKAGVOJOBJNKY-LUKYLMHMSA-N 290.451 3.786 30 20 CHED Oc1ccccc1C=Nc1cc(F)c(F)cc1F 255296556 FYICNIKTVNANJG-UHFFFAOYSA-N 251.207 3.560 30 20 CHED COC1CCC(N(C)c2ccc(C#N)c(Cl)c2)CC1 265258540 XTLPPAQDIZLTJS-UHFFFAOYSA-N 278.783 3.605 30 20 CHED CCCCCCCCOCC(=O)N[C@H](C)c1cccnc1 266118394 XVSLIRDCBRVIMW-OAHLLOKOSA-N 292.423 3.636 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 268804373 ZVOXYAOPLNATTP-BFHYXJOUSA-N 286.419 3.823 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1cccc2ncccc12)OCC 270536969 XANHGCNXZLGWQK-KRWDZBQOSA-N 298.386 3.569 30 20 CHED C=C(C)CCSc1nncn1[C@H](C)c1ccccc1 274762982 RHHOVEXUKWQOGC-CYBMUJFWSA-N 273.405 3.946 30 20 CHED COc1ccnc(CS[C@@H](C)c2cccc(C#N)c2)c1 276149309 DQWFZICUJIWPJV-LBPRGKRZSA-N 284.384 3.956 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 277241327 CQQUPRZMKDQWDT-IPMKNSEASA-N 295.426 3.975 30 20 CHED C=CCCCc1nc(-c2c(Cl)nc3sccn23)no1 278010026 XJSSNAMQADJLQB-UHFFFAOYSA-N 294.767 3.608 30 20 CHED CC(C)(C)c1cnc(S[C@H]2CC[C@@H](C#N)C2)o1 278557587 MHQBVFDMRQGZQJ-ZJUUUORDSA-N 250.367 3.756 30 20 CHED COc1cc(C(C)=O)ccc1S[C@@H]1CC[C@@H](C#N)C1 278696002 ZSXAFIHUYMIEHI-DGCLKSJQSA-N 275.373 3.682 30 20 CHED CC1=C(C)CN(c2nc(C(F)(F)F)ccc2C#N)CC1 280941649 JKOGHJVBKJYVKM-UHFFFAOYSA-N 281.281 3.519 30 20 CHED CC(C)c1ccc2occ(C(=O)N3CC(C)(C#N)C3)c2c1 286593468 HVYXIBDQPDTLGQ-UHFFFAOYSA-N 282.343 3.542 30 20 CHED CCN(CC1(SC)CC1)[C@H](C)c1ccc(C#N)cc1 289003750 FAUOKCFRLSJYLT-CYBMUJFWSA-N 274.433 3.837 30 20 CHED C[C@H](CNCCCC#N)c1ccc(C(F)(F)F)cc1 290234120 GCOSSCWDPAWHSU-LLVKDONJSA-N 270.298 3.702 30 20 CHED CCCC[C@H](NC(=O)CCCC#N)c1ccc(OC)cc1 291597802 CHJSDSPDTDVIPH-INIZCTEOSA-N 288.391 3.737 30 20 CHED CC(C)(C#N)CCCOc1cccc(Cl)c1[N+](=O)[O-] 292721415 SGRAEBFQKDWEGQ-UHFFFAOYSA-N 282.727 3.957 30 20 CHED C#CCOc1ccccc1NCc1ccc(C(C)(C)O)cc1 295623095 FGEHZVLPYVILPR-UHFFFAOYSA-N 295.382 3.538 30 20 CHED CC(C)(C)SCCNc1ccc(F)cc1C#N 301393825 CSNJTQYCSXCJDK-UHFFFAOYSA-N 252.358 3.641 30 20 CHED C=C(C)CN(CC)c1nc(-c2ccccc2)ns1 301716368 HBFDVEJAGGIPSQ-UHFFFAOYSA-N 259.378 3.608 30 20 CHED CCSCC[C@H](C)N(C)c1c(F)cc(C#N)cc1F 301753122 VZEYURQELBXSCG-JTQLQIEISA-N 284.375 3.804 30 20 CHED N#Cc1ccc(N2CCC3(CCC3)C2)c(Br)c1 301877783 TYDDMNQWTAOBNZ-UHFFFAOYSA-N 291.192 3.701 30 20 CHED Cc1ccc2c(c1)N(c1snc(Cl)c1C#N)CC2 301919851 DFPOLOLNCWLYKZ-UHFFFAOYSA-N 275.764 3.671 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CCC[C@@H](C)C1 303837410 CKOJKELGOZYLRE-ZBFHGGJFSA-N 278.440 3.991 30 20 CHED O/C(=N/Cc1ccccn1)c1coc(C2CCCCC2)n1 328758517 VYDZYVKNAPBXRQ-UHFFFAOYSA-N 285.347 3.622 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cccc(-c3ncco3)c2)CCC1=O 329003099 HJQXRAVUNUKESD-VXGBXAGGSA-N 298.342 3.935 30 20 CHED C[C@]1(/N=C(/O)CCc2cc3ccccc3o2)CCCOC1 329141138 KAUYTALGCCSHGS-KRWDZBQOSA-N 287.359 3.891 30 20 CHED N#CC1(C(O)=Nc2cccc3ocnc23)CCCCC1 330095453 VMFLRULJGJQWAV-UHFFFAOYSA-N 269.304 3.890 30 20 CHED CC(C)(C)NC(O)=Nc1ccccc1OC(C)(C)C 330951356 PSHCSHFBEZMKEH-UHFFFAOYSA-N 264.369 3.798 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N(C)CC2CCCC2)c1C 331101242 CYQSXFBJZLWARY-GFCCVEGCSA-N 292.427 3.830 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC(=O)CCCC1CCCCC1 331121534 XLHZRFGETLBNCB-GJZGRUSLSA-N 262.397 3.545 30 20 CHED C=C1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 334925687 DHKGTTDOLIGGSY-UHFFFAOYSA-N 289.766 3.542 30 20 CHED Cc1nc2cc(Cl)c(NC(=O)C(C)(C)C#N)cc2s1 335695278 VEYHOMRAOXHUCR-UHFFFAOYSA-N 293.779 3.746 30 20 CHED CCN(C(=O)c1sccc1C#N)c1cccc(C)c1 335771690 RFYGTGIJVAYPNG-UHFFFAOYSA-N 270.357 3.595 30 20 CHED CC(C)OC[C@@H](C)Nc1cccc(OCCCC#N)c1 337341172 QAMHTUFNPDZAPT-CQSZACIVSA-N 276.380 3.595 30 20 CHED N#Cc1cccc(N2CC[C@@H]2c2ccc(Cl)cc2)n1 339215540 CYJMAZKUVYIVBW-CQSZACIVSA-N 269.735 3.558 30 20 CHED N#Cc1cccc(NCc2ccc(C(F)(F)F)cn2)c1 340605957 YFTACTVOMHFTOD-UHFFFAOYSA-N 277.249 3.584 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1cnccc1C#N)CCC2 340977038 MSYIXARTVYIPCD-INIZCTEOSA-N 263.344 3.751 30 20 CHED COc1ccc2ccccc2c1CNc1cc(C#N)ccn1 341742591 GOABDYSEDOPNNJ-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CC(C)(C#N)CCSCCCC1(C#N)CCOCC1 342004652 NZCMNVLTZBNHNR-UHFFFAOYSA-N 280.437 3.760 30 20 CHED CC[C@H](Nc1cc(C#N)ccn1)c1ccc(F)cc1F 342367614 FCWLDFASIYBBCQ-AWEZNQCLSA-N 273.286 3.795 30 20 CHED Cc1ccc2oc(SCc3cc(C#N)ccc3F)nc2n1 342427597 BOZLHGFRDGAPKA-UHFFFAOYSA-N 299.330 3.834 30 20 CHED C=CCCN(C)[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 342765565 PMXUBTAHGVKESY-DOTOQJQBSA-N 288.435 3.540 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)CC1(C#N)CC1 343165293 YLDJGJSBIODDMH-UHFFFAOYSA-N 269.175 3.729 30 20 CHED CSCC[C@](C)(C#N)NC(=O)[C@@H](C)CCC(C)(C)C 344689240 YRAINAIDPINMHR-SWLSCSKDSA-N 284.469 3.600 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@@H]2CCC[C@H](C)C2)no1 346257885 XWUDYHMLBLLWGQ-WOSRLPQWSA-N 278.396 3.844 30 20 CHED C[C@@H]1C[C@H](NCCCC#N)C[C@H](c2ccccc2)C1 346332882 MPFQGCIWYOXYRV-UAGQMJEPSA-N 256.393 3.852 30 20 CHED COc1ccc(CC[C@H](C)Nc2nc(C)ccc2C#N)cc1 346841492 SWILGVGKGPCGNL-ZDUSSCGKSA-N 295.386 3.704 30 20 CHED CN(Cc1cc(F)c(C(F)(F)F)cc1F)CC(F)F 346854604 QDVZCNPRWYXDNB-UHFFFAOYSA-N 289.194 3.681 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1 351484546 MHXDOARUTUXCSO-UHFFFAOYSA-N 295.338 3.706 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(OC(F)F)c(F)c1 351625398 XVGDSNHKNIKUGZ-LLVKDONJSA-N 299.292 3.608 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N[C@@H](CCCC#N)c1ccccc1 352190469 DGFCJQYZPXTDNC-KBMXLJTQSA-N 270.376 3.584 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 353839511 YVIQMBZROBJKNX-RRFJBIMHSA-N 291.439 3.584 30 20 CHED C=CCC[C@@H](NC(=O)Cc1cccnc1C)c1ccccc1 354205966 IHANNRKRBRYLPC-GOSISDBHSA-N 294.398 3.756 30 20 CHED N#CC[C@@H](CC(=O)NCc1cccc(F)c1)c1ccccc1 354314163 ZOIGDAMPOOCCCW-INIZCTEOSA-N 296.345 3.529 30 20 CHED N#CC[C@H](CC(=O)NC[C@H]1CC=CCC1)c1ccccc1 355162739 IZEPOOFUWAUSEL-DOTOQJQBSA-N 282.387 3.546 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)CCC#N)CC1 355252839 HYXPWHWCZHSPNJ-KGLIPLIRSA-N 279.428 3.584 30 20 CHED Cc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)o1 355352926 HTKPMFCMQILTDH-UHFFFAOYSA-N 278.355 3.749 30 20 CHED C=C(CNC(=O)NCc1cscc1C)c1ccccc1 355665349 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CC(C)Cc1ccc(CC(=O)N2CCC[C@H](CC#N)C2)cc1 597916753 QGMUMTDWINYEFW-GOSISDBHSA-N 298.430 3.580 30 20 CHED CC1(C)C[C@@]1(CNC(=O)C1(C#N)CCCC1)c1ccccc1 598579709 ZWWLVSDMNHMFEL-LJQANCHMSA-N 296.414 3.554 30 20 CHED CCSCc1ccc(NC[C@@H](O)CC(C)(C)C#N)cc1 598730696 YXHBZRNXOJVDKK-HNNXBMFYSA-N 292.448 3.652 30 20 CHED CCN(CCC#N)C(=O)c1cc(-c2ccccc2)oc1C 599137904 DLQMPSHBKZAFRS-UHFFFAOYSA-N 282.343 3.631 30 20 CHED C[C@@H]1CCN(C[C@H](C)CCC#N)[C@H](c2ccco2)C1 602483470 RBIRGJSXGNPDRX-KFWWJZLASA-N 260.381 3.992 30 20 CHED C[C@@H](CCC#N)CNc1cccc(NC(=O)c2ccoc2)c1 602489583 AIQFZWVJUGCIKU-ZDUSSCGKSA-N 297.358 3.884 30 20 CHED Cc1ccc(NC[C@H](C)CCC#N)c2cccnc12 602588170 LDYDXUFSODRZGL-GFCCVEGCSA-N 253.349 3.895 30 20 CHED CC(C)[C@@H]1C[C@H](NCc2cccc(C#N)n2)c2ccccc21 602725203 KANUTCCUQOSPCK-OALUTQOASA-N 291.398 3.927 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@@H](C)CC(C)(C)C 608822965 BNJHJLGIZNWEGK-CHWSQXEVSA-N 252.402 3.503 30 20 CHED CC[C@H](NC(=O)CSc1ccc(C#N)cc1)C(C)(C)C 609230132 WWJYWPMPWQEKKM-AWEZNQCLSA-N 290.432 3.591 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1c1ccc(Cl)c(C#N)n1 609675045 PWDVRBUKLZUNPU-GXTWGEPZSA-N 297.789 3.989 30 20 CHED C[C@H](NC(=O)N[C@H](C)C1CCCCC1)c1cccc(C#N)c1 610352415 YSOHKXMRFNYWIV-KGLIPLIRSA-N 299.418 3.887 30 20 CHED C[C@H](NC(=O)NC1CCCCCC1)c1cccc(C#N)c1 610356134 JYUAYTYHGFJUJV-ZDUSSCGKSA-N 285.391 3.641 30 20 CHED COCc1ccc(SCCOc2ccccc2C#N)cc1 610480784 WTJTWPBAQZHDNZ-UHFFFAOYSA-N 299.395 3.876 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCC(F)(F)C2)cc1Cl 610791922 KHVMSRYNGWVUNM-JTQLQIEISA-N 299.708 3.521 30 20 CHED CCC1(O)CCC(Nc2ccc(Cl)cc2C#N)CC1 611306589 QZNDTNNJLPFEIQ-UHFFFAOYSA-N 278.783 3.707 30 20 CHED CC(C)(C#N)CCN[C@@H](CN1CCCCC1)c1ccccc1 611937922 AOPZMXBRDOZJTK-SFHVURJKSA-N 299.462 3.743 30 20 CHED CC(C)Oc1cccc(CN2CCC[C@](C)(C#N)C2)c1 612161789 ACEKHOKBCLOCCY-QGZVFWFLSA-N 272.392 3.599 30 20 CHED CC[C@@H](C(=O)N[C@@H](C#N)CC(C)C)C1CCC(C)CC1 613113861 ANNXIVYJSMSIDV-QDIHITRGSA-N 278.440 3.893 30 20 CHED Cc1cccc(Cl)c1NC(=O)N1CCC[C@@](C)(C#N)C1 613504871 QVFFNBWUIQBHCU-HNNXBMFYSA-N 291.782 3.806 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](CC)Cc1ccc(F)cc1 617167477 HHNSFYLTVBEJIA-HNNXBMFYSA-N 277.383 3.865 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 617784010 LMMIKPWGXUWREK-OLZOCXBDSA-N 263.406 3.666 30 20 CHED COc1ccccc1N(C)Cc1ccc(C#N)c(C)c1 618744280 NVBHMGFLYOPAMG-UHFFFAOYSA-N 266.344 3.512 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCC12CCCC2 618807425 UNOSRACHKWURAJ-IRXDYDNUSA-N 266.388 3.858 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 620600575 NCQPURYHHCFLSP-ZBFHGGJFSA-N 287.403 3.577 30 20 CHED C=CCN(C(=O)c1ccc(CN(CC)CC)o1)C(C)(C)C 622943882 VMEFUCXKQPKURR-UHFFFAOYSA-N 292.423 3.548 30 20 CHED C=CCOc1c(Cl)cc(CNC2(C)CCC2)cc1OC 623472611 USYOAGGACIYEPW-UHFFFAOYSA-N 295.810 3.946 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](OC)c1cccc(OC)c1 624031317 DALOKBXGIHKKMT-JJRVBVJISA-N 277.408 3.573 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCc1ccc(C)o1 633492853 FZFNGBZJZREAEQ-UHFFFAOYSA-N 290.388 3.547 30 20 CHED C=CC(C)(C)C(=O)Nc1cnn([C@H](C)c2ccccc2)c1 648503075 NSSGJALWNQTKFB-CYBMUJFWSA-N 283.375 3.643 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](COC)c1cccc(OC)c1 658165136 PSPVISAOZMZBEH-ZQIUZPCESA-N 277.408 3.573 30 20 CHED C=C(C)COc1cccc(NC(=O)NCCC(C)(C)F)c1 665956692 WHMLPGHKXRYJFI-UHFFFAOYSA-N 294.370 3.901 30 20 CHED C=C1CCN(C(=O)c2ccc(-c3ccco3)s2)CC1 675782359 FOBFMLCRYMXHAM-UHFFFAOYSA-N 273.357 3.800 30 20 CHED CCCCCCCCC(=O)N(CC(=O)O)CC(C)(C)C 701287454 WLSAVOUWTGLSPA-UHFFFAOYSA-N 285.428 3.696 30 20 CHED C=C(C)CN(CC)C(=S)N[C@@H](C)c1cccs1 726436192 UPPBEISJYZQJPB-NSHDSACASA-N 268.451 3.582 30 20 CHED Cc1cccc(N(C)C(=O)/C=C/c2ccccc2C#N)c1 727093143 KEKWTKWHFYUYBM-ZHACJKMWSA-N 276.339 3.543 30 20 CHED CCCC(Cc1ccccc1)=NNc1cncc(Cl)n1 727256473 WRYARXRZMKNPMO-UHFFFAOYSA-N 288.782 3.941 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(F)cc2)c(C#N)c2n1CCC2 730084888 JVOSCDSCUXQQPP-RMKNXTFCSA-N 294.329 3.650 30 20 CHED C#CCOc1ccccc1OCc1cc(F)ccc1F 730566877 MRYIKJBGOFGDBN-UHFFFAOYSA-N 274.266 3.556 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1cccc(C#N)c1 730930149 WERQXIDMDGBKTO-LBPRGKRZSA-N 277.389 3.523 30 20 CHED C=CCNC(=S)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 730952000 ZXIUISHMPDNDMX-MRXNPFEDSA-N 299.443 3.755 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=Nn2cnc3ccccc32)o1 732766781 VWRSPTLWKMGVPY-WCQYABFASA-N 265.316 3.635 30 20 CHED CCCOC(=O)c1cccc(COc2ccc(C#N)cc2)c1 734586800 XYNWGARWSCZVHI-UHFFFAOYSA-N 295.338 3.704 30 20 CHED CC(=NNc1cnccn1)c1ccc(SC(F)F)cc1 734978313 COAYJNZIUHYHEC-UHFFFAOYSA-N 294.330 3.627 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1SC(F)(F)F 735066643 ULDOSSJZVAZCGN-SECBINFHSA-N 289.322 3.993 30 20 CHED CC(C)CN(CCC#N)CCc1ccccc1Cl 739914910 SBWHVKQUOBOCNZ-UHFFFAOYSA-N 264.800 3.754 30 20 CHED O=C1/C(=C\c2nccc3ccccc23)Cc2c(O)cccc21 740764914 KIFDSLAATFVMBK-QBFSEMIESA-N 287.318 3.763 30 20 CHED CCCCCCCC(=O)NC[C@@H](O)c1ccccc1Cl 740929847 YBRSGWHOYOZPKD-OAHLLOKOSA-N 297.826 3.850 30 20 CHED C=C(C)COC(=O)c1ccccc1Oc1ccccn1 740999455 QPAFEQLPYKIFBV-UHFFFAOYSA-N 269.300 3.607 30 20 CHED CCO[C@H]1CC(=NNc2cccc3cnccc23)C12CCC2 741164557 PYUOXIYKXYCKQN-KRWDZBQOSA-N 295.386 3.982 30 20 CHED CCCCNN=C(C)c1cccc(-c2ccncc2)c1 741459428 ANXSLXOEXKIANW-UHFFFAOYSA-N 267.376 3.862 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1c(C)noc1C)CC2 741848202 NRKBVUAIRTYVSE-MDWZMJQESA-N 283.327 3.513 30 20 CHED C=C(C)CCOC(=O)[C@H](C)CCc1ccccc1F 744305110 NJFDVUMHNGYWPY-CYBMUJFWSA-N 264.340 3.904 30 20 CHED CCC(C)(C)CCOC(=O)c1ccccc1OCC#N 744340661 CXWCQUBFQLOVHY-UHFFFAOYSA-N 275.348 3.572 30 20 CHED C#CCN(Cc1cnccc1C)[C@@H]1CCc2ccccc21 746451006 QITUXARTWDXDJZ-LJQANCHMSA-N 276.383 3.513 30 20 CHED Fc1ccc2[nH]cc(C=NNc3ccccc3F)c2c1 747046525 APTUPHMEGRTNGI-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 747695538 XLZLAFPCUXICGU-RYUDHWBXSA-N 295.379 3.558 30 20 CHED C#Cc1cccc(NC(=S)Nc2cscc2C)c1 747707078 YPFPAPVHQCODGT-UHFFFAOYSA-N 272.398 3.847 30 20 CHED CCC(Cc1ccc(Cl)cc1Cl)=NOCCOC 748791083 FOAYNOBECSVLAC-UHFFFAOYSA-N 290.190 3.965 30 20 CHED N#Cc1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)s1 749000024 ZQYWZZIIDANMNJ-MLPAPPSSSA-N 287.727 3.889 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc2cccc(Cl)c2o1 753293713 JZWOGUQEBQWWFQ-LLVKDONJSA-N 290.750 3.754 30 20 CHED CC(=O)c1ccc(C#N)c(N2Cc3ccccc3[C@@H](C)C2)c1 754001198 ZOZFKGBOZQMBMD-ZDUSSCGKSA-N 290.366 3.885 30 20 CHED Cc1ccc(C=NNCc2cccc(Cl)c2)cc1 756826551 AAXDSEZZFAALAO-UHFFFAOYSA-N 258.752 3.772 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 756920622 BYXYLNYDXZYMOZ-MRXNPFEDSA-N 282.318 3.712 30 20 CHED C=CCNC(=S)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 758436491 ABQXLPCAXKPVKS-ZDUSSCGKSA-N 298.402 3.702 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCc1ccc(F)c(C#N)c1 758952952 KVBPXYRYQJYZGT-LBPRGKRZSA-N 289.350 3.957 30 20 CHED Fc1cnc(NN=Cc2ccccc2-c2ccccc2)nc1 760255101 SOKYZLFNKWUSQN-UHFFFAOYSA-N 292.317 3.729 30 20 CHED N#Cc1c(F)ccc(C=Nn2cnc3ccccc32)c1Cl 761786899 SIGGPFJDRPYIHY-UHFFFAOYSA-N 298.708 3.583 30 20 CHED CCCCCCCC(=O)Nc1cc(C(=O)O)cs1 762143688 QKHKJHOQNFZKDG-UHFFFAOYSA-N 269.366 3.745 30 20 CHED C#CCN(C(=O)c1ccc(N(CC)CCCC)cc1)C1CC1 763801413 RFMRWJGSHZFKHO-UHFFFAOYSA-N 298.430 3.551 30 20 CHED CCCCCCC[S@](=O)Cc1sc(C)nc1C 764465182 WUQFMVIJZPVLAC-KRWDZBQOSA-N 273.467 3.979 30 20 CHED Cc1cc(C=NNc2ncnc3ccsc23)ccc1F 764840744 KFFXITCIEGNCIU-UHFFFAOYSA-N 286.335 3.585 30 20 CHED CCc1nc(C)c([C@@H](C)NCc2ccc(C#N)cc2)s1 765013048 QTQAXTGFKPYWMZ-LLVKDONJSA-N 285.416 3.736 30 20 CHED Cc1cc(OC(=O)/C=C2\CC[C@H](C)C2)ccc1C#N 765117984 LODQHVAKNCMBKL-GJSJWPQCSA-N 255.317 3.519 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1nc2ccccc2s1 767076352 HDLMHBLDBOGMPB-GFCCVEGCSA-N 286.400 3.667 30 20 CHED C#CCCN(Cc1cc(C)cc(C)c1)CC(F)(F)F 767902653 SGCYIYGFFADSRU-UHFFFAOYSA-N 269.310 3.691 30 20 CHED CCc1ccccc1CCOC(=O)c1cc(C#N)cs1 768743890 DHTXCMPALBBKTQ-UHFFFAOYSA-N 285.368 3.582 30 20 CHED COc1cc(C)c(/C=C\C(=O)c2ccco2)cc1OC 769771530 PWMRGWMQMYYTSP-SREVYHEPSA-N 272.300 3.501 30 20 CHED CC(=NNc1cccc2cnccc12)c1sccc1O 769781443 HFNROKMKBWTQFU-UHFFFAOYSA-N 283.356 3.838 30 20 CHED N#Cc1ccc(CNN=C(Cc2ccccc2)C2CC2)cc1 769823526 SRGLNYDEUBMRQQ-UHFFFAOYSA-N 289.382 3.657 30 20 CHED C#C[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 773592320 FOAPFSMTAROKSQ-YOEHRIQHSA-N 284.403 3.678 30 20 CHED Clc1cccc(C2CC(=NOC3CCOCC3)C2)c1 774451679 BNTXRKSPMZHDMO-UHFFFAOYSA-N 279.767 3.769 30 20 CHED Brc1ccccc1C=NN[C@@H]1C[C@H]2CC[C@H]1C2 774605870 BMIDTXZUVIWLSI-COPLHBTASA-N 293.208 3.561 30 20 CHED C[C@H](NCc1cccc(C#N)c1F)c1ccc(N(C)C)cc1 775835632 HIGSWEHSHSWYMY-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED N#CC1(COC(=O)[C@@H](OC2CCCC2)c2ccccc2)CC1 775855177 NTYVKDLWHRJHCC-INIZCTEOSA-N 299.370 3.534 30 20 CHED C=C[C@H](CC)OC(=O)Cc1c[nH]c2cc(Cl)ccc12 776104054 DCWVUBKOLNDVRZ-GFCCVEGCSA-N 277.751 3.872 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(C#N)cc1F 776189463 GNWMYLPVCSBIGD-AATRIKPKSA-N 280.302 3.551 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 776383536 UDBRBCBLNAIFLI-KBPBESRZSA-N 291.778 3.927 30 20 CHED COc1cc(C=NOC2CCCCC2)ccc1OC(F)F 777457188 OGBRMXKGKDMTNF-UHFFFAOYSA-N 299.317 3.980 30 20 CHED Clc1ccnc(NN=Cc2csc(C3CC3)n2)c1 777906822 HLDLOGGGMRGINM-UHFFFAOYSA-N 278.768 3.515 30 20 CHED Cc1ccc(C)c(COC(=O)c2cccc(F)c2C#N)c1 778375192 NVILJFMCUXSZDO-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C1/CC[C@H](C)C1 778985821 WEEDXPZIQVYEOD-RHIYTYFCSA-N 273.376 3.583 30 20 CHED C#CCCCCCC(=O)Nc1ccc(SC)cc1 779755979 ORCKIFVUOBNXPR-UHFFFAOYSA-N 261.390 3.931 30 20 CHED c1ccc2c(c1)CCC(=NNc1ccc3[nH]ncc3c1)C2 779812192 OEGRHLYSPMRKGS-UHFFFAOYSA-N 276.343 3.520 30 20 CHED C#CCCCCCC(=O)Nc1ccnc(-c2ccccc2)n1 779987678 ZCJJZCLYJTXOIJ-UHFFFAOYSA-N 293.370 3.666 30 20 CHED Cc1sc2ncnc(NN=CC3(C)CC3)c2c1C 782133114 RGBUTPGXOSLZJK-UHFFFAOYSA-N 260.366 3.506 30 20 CHED C[C@H](Nc1cccc2c1OCO2)c1ccc(C#N)c(F)c1 782779607 YFNXPBZWHHIEOW-JTQLQIEISA-N 284.290 3.599 30 20 CHED C=CCCCCCOC(=O)CC[C@H]1CCCCO1 783623474 FNOXGVLBIMKTSX-CQSZACIVSA-N 254.370 3.625 30 20 CHED Cn1cc(C=NOC2CCCC2)c(C2CCCCC2)n1 783860031 VAHFORSKWIFMMU-UHFFFAOYSA-N 275.396 3.761 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1CO[C@H](C)C1 784133183 XQZOTSYVLUAGJR-HUUCEWRRSA-N 269.429 3.668 30 20 CHED C=CCCCOC(=O)C1(Cc2ccccc2F)CC1 785814978 UMTSIVKMSIQQOK-UHFFFAOYSA-N 262.324 3.658 30 20 CHED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(F)F)cc1 786963251 SBFPKTVIUOZZKS-CQSZACIVSA-N 286.281 3.546 30 20 CHED CCCCCCCCOC(=O)Cc1ncc(C)s1 787018540 RJPVBHQZBYPXSU-UHFFFAOYSA-N 269.410 3.898 30 20 CHED CC(CC(C)(C)c1ccccc1)=NOC[C@@H]1CCOC1 788031128 SKEXVUHREXPOCB-OAHLLOKOSA-N 275.392 3.783 30 20 CHED C#CCC1(C(=O)Nc2cnn(C(C)(C)C)c2)CCCCC1 788178706 PRPFEHXPMIYDTI-UHFFFAOYSA-N 287.407 3.550 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)c1occc1C(C)C 790370233 NWGQASSSEQCXRU-UHFFFAOYSA-N 299.345 3.818 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)COc2cc(F)ccc21 794728418 PMBFCXAGUHTJIS-BJMVGYQFSA-N 289.693 3.533 30 20 CHED Cc1cc(Br)ccc1NN=C1CSC[C@@H]1C 794903985 AXFJTRWJADQTON-VIFPVBQESA-N 299.237 3.908 30 20 CHED CCc1oc2ccccc2c1C=NOC[C@H]1CCCO1 795203599 QWEFUVYZPVDCEJ-GFCCVEGCSA-N 273.332 3.525 30 20 CHED C#CCC(C)(C)COC(=O)c1ccc(C(C)(C)C#N)cc1 796823273 WRBIWZSOLFVNTN-UHFFFAOYSA-N 283.371 3.694 30 20 CHED C[C@H](C=NNc1ncnc2ccsc12)C(C)(C)C 800814581 RUWUGKSQDPTMOP-SECBINFHSA-N 262.382 3.771 30 20 CHED Cc1oc(C(C)C)cc1C(=O)OCC1(C#N)CCC1 802764865 ACLWGNMHZIRAKS-UHFFFAOYSA-N 261.321 3.562 30 20 CHED C=CCCCCCCNC(=O)NC[C@H]1CC1(Cl)Cl 804942244 NHXVVOUOOROREO-LLVKDONJSA-N 293.238 3.616 30 20 CHED C=C(CNC(=O)/C=C\c1ccccc1)c1ccccc1 805251063 MCJRENZTYISIIU-SEYXRHQNSA-N 263.340 3.529 30 20 CHED C[C@H](C#N)OCCSCc1cc(Cl)nc(Cl)c1 808367533 HVGAZGJYMGIXBW-MRVPVSSYSA-N 291.203 3.550 30 20 CHED C[C@@H](OC(=O)C1(C(F)F)CCCC1)c1cccc(C#N)c1 808647490 CMCJNELGDVVYBV-LLVKDONJSA-N 293.313 3.988 30 20 CHED C=C(C)COC(=O)c1cc2ccccc2cc1NC(C)=O 808969026 XSVVFGKJYRPBCV-UHFFFAOYSA-N 283.327 3.531 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1cccc(C)c1)C2=O 809158208 YVEVNBRDHNLWSV-UKTHLTGXSA-N 282.314 3.965 30 20 CHED C#Cc1cccc(NC(=S)NC2(C(F)F)CCCC2)c1 809166341 WKTXELLAVOMVRI-UHFFFAOYSA-N 294.370 3.532 30 20 CHED C[C@H]1CCC[C@@H](c2noc(-c3ccccc3OCC#N)n2)C1 809343720 HXKSLZKLFUCULL-QWHCGFSZSA-N 297.358 3.933 30 20 CHED C#CCC(C)(C)c1nc([C@H](C)c2ccccc2C)no1 809439569 VYCLWCDMJAFRRJ-CYBMUJFWSA-N 268.360 3.831 30 20 CHED C#Cc1ccc(CNC2(C)CCC(F)(F)CC2)cc1 809637667 KZOZIXSIQJRAEO-UHFFFAOYSA-N 263.331 3.726 30 20 CHED C#Cc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cc1 809650732 KUTRIDCJDYGCGF-CQSZACIVSA-N 281.321 3.831 30 20 CHED C#Cc1ccccc1Cc1nc(-c2c[nH]c3ccccc23)no1 810307555 BUKXHLWDYVURTO-UHFFFAOYSA-N 299.333 3.790 30 20 CHED C#Cc1ccccc1CC(=O)O[C@@H](C)c1ccc(OC)cc1 810646331 ACZZQBAHQPZIHY-AWEZNQCLSA-N 294.350 3.523 30 20 CHED C=CCCCCCCCNC(=O)NCc1cncc(C)c1 811898668 KOSAPIYJMJDMNU-UHFFFAOYSA-N 289.423 3.716 30 20 CHED CCOC(=O)c1ccc(NN=C[C@H](C)CC)cc1C 812228431 PMPWQSMZTKLUJQ-LLVKDONJSA-N 262.353 3.616 30 20 CHED CCC(=NOCCOC(C)C)c1ccc2c(c1)CCCO2 812239105 NDFRYZTUIGJGSZ-UHFFFAOYSA-N 291.391 3.567 30 20 CHED C[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)C1 813217656 ILEAOOIJGAVWLZ-JFGNBEQYSA-N 296.292 3.713 30 20 CHED CC1CC(OC(=O)c2cn(CCCC#N)c3ccccc23)C1 813232597 UKSHZWWUMMFVSA-UHFFFAOYSA-N 296.370 3.900 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C)c(Cl)c1 814688871 DFKRNELOKOPVJE-UHFFFAOYSA-N 259.683 3.798 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1cccc(C#N)c1 814787370 ZLWHWUMMNMLHMK-AWEZNQCLSA-N 266.348 3.676 30 20 CHED c1ccc(C[C@@H]2CCC(=NNC3CCCC3)C2)cc1 814833007 UIJPNUSSDHXZHQ-HNNXBMFYSA-N 256.393 3.917 30 20 CHED CC(=NNc1ccc(F)cc1C)c1csc(C(=O)O)c1 814885243 SPLUJHLCAMIGHO-UHFFFAOYSA-N 292.335 3.730 30 20 CHED N#Cc1c(COC(=O)CC2CCCCC2)cn2ccccc12 818031088 BPPPIQNUYKQXAR-UHFFFAOYSA-N 296.370 3.825 30 20 CHED N#C[C@H]1CC[C@@H](NC(=S)Nc2ccc3ccccc3c2)C1 819022597 SASLRIKOBYWEHS-SWLSCSKDSA-N 295.411 3.818 30 20 CHED C=CCCN(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 824250356 NMMNOBPKKXKDSE-LSDHHAIUSA-N 296.455 3.530 30 20 CHED C=CCCCNC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 824307278 FEEKUOGKVZQRTK-LSDHHAIUSA-N 296.455 3.578 30 20 CHED C=CC[C@H]1CCCN(CCCc2cnccc2C)C1 826947458 QNKCEGZVKDFSKI-INIZCTEOSA-N 258.409 3.611 30 20 CHED C=CCC1(N[C@@H](C)CSC(C)(C)C)CCOCC1 827147536 SRCXGUWDIBQWPI-ZDUSSCGKSA-N 271.470 3.622 30 20 CHED C=C[C@H](CC)CC(=O)N1Cc2ccccc2N2CCC[C@@H]2C1 829519412 BTNYFYUTPYGDCF-NVXWUHKLSA-N 298.430 3.600 30 20 CHED C=CCCCCN[C@@H](C)c1nc(Br)cs1 834770910 ZYENCYJMNINWTQ-VIFPVBQESA-N 289.242 3.913 30 20 CHED CC(C)(C)CCC(=NNc1ccncn1)c1cscn1 835002360 VHTXIHXUIYXUIK-UHFFFAOYSA-N 289.408 3.576 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H](c1ccccc1)C(C)(C)C 837353137 HNJJRIYRWXXBND-INIZCTEOSA-N 271.404 3.940 30 20 CHED C=CC(C)(C)C(=O)OCc1nc(-c2ccccc2)oc1C 837863543 KWIUBCNFDWWTCP-UHFFFAOYSA-N 285.343 3.905 30 20 CHED CCCCCC[C@@H](C)C(=O)NCC(C)(C)CC#N 837888512 JHWZRSGWIJBTRS-CYBMUJFWSA-N 252.402 3.649 30 20 CHED C#CCCCCC(=O)N1CCCc2ccc(Cl)c(F)c21 839439008 UMKSMVRZUQPADW-UHFFFAOYSA-N 293.769 3.952 30 20 CHED CC1(C)C[C@@H](C(=O)OCCCCC#N)c2ccccc2O1 840658105 CHEFTHBOQGUNAG-CQSZACIVSA-N 287.359 3.568 30 20 CHED CC(C)(C/N=C\c1cc2ccccc2nc1O)OCC1CC1 840711939 UHDPOPQEKXUCRH-GRSHGNNSSA-N 298.386 3.565 30 20 CHED Cc1cc(/C=C2/CC(C)(C)c3ccccc3C2=O)nn1C 840720579 RJKHMBFHKWGDMS-RAXLEYEMSA-N 280.371 3.676 30 20 CHED C[C@H]1C[C@@H](C(=O)Oc2cccc(OCC#N)c2)CC[C@H]1C 841344072 NWSIVPFESUGJKO-RDBSUJKOSA-N 287.359 3.567 30 20 CHED N#Cc1ccc(-c2ccc([C@@H](O)C3CC3)cc2)s1 844232263 LBSMUTHCIMEWKV-OAHLLOKOSA-N 255.342 3.730 30 20 CHED Cc1cc(C#N)ccc1NCc1ccc2c(c1)OCCCO2 846747957 BSELJFAIBOOFIX-UHFFFAOYSA-N 294.354 3.640 30 20 CHED C[C@@H](C#N)COC(=O)CCc1c(Cl)cccc1Cl 847665829 SBWXFQMMBGSSQU-VIFPVBQESA-N 286.158 3.629 30 20 CHED Fc1ccc(CON=Cc2ccc(OC(F)F)cc2)cc1 849732449 SBDXLSAMLVQUGE-UHFFFAOYSA-N 295.260 3.978 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C(C)(C)C1CCC1 851206677 VQNDPJKAJSIIPI-LLVKDONJSA-N 251.370 3.684 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@@H]1CCc2ccccc21 851208668 AILNBIBTDFJUCP-ZFWWWQNUSA-N 285.387 3.978 30 20 CHED C=C[C@H](OC(=O)C[C@H](OCC)C(=C)C)c1ccccc1 851452872 XTFWIBWLUKVPHA-HOTGVXAUSA-N 274.360 3.828 30 20 CHED Cc1ccccc1C=NOCCOc1ccccc1F 852228027 YKKMSRXRRHVOLL-UHFFFAOYSA-N 273.307 3.564 30 20 CHED Cc1cccc(C(C)C)c1NN=C1CCCn2nccc21 853347491 LAYBANSOOOKYPR-UHFFFAOYSA-N 282.391 3.925 30 20 CHED CCc1cc(C#N)ccc1OCCC1SCCS1 853697127 BQFLLRIQNYLHHK-UHFFFAOYSA-N 279.430 3.696 30 20 CHED Cc1ccc(CON=CC2CC2)c(Br)c1 853735794 AEKDZYJAVUCJIM-UHFFFAOYSA-N 268.154 3.670 30 20 CHED C=C(Cl)CSCC(=O)N(CC)c1ccccc1 853782712 KODJCGGHQXQYKO-UHFFFAOYSA-N 269.797 3.525 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)NC[C@H](C)c1ccccc1 853783492 KZRHLPSKEDJLAL-WCQYABFASA-N 297.851 3.781 30 20 CHED C=CCC1(NC(=O)c2nc(Cl)sc2C)CCCC1 855928246 MNYFCMKNFYVOPV-UHFFFAOYSA-N 284.812 3.724 30 20 CHED C=CCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 855945539 AFTOGCWJLMOKJM-GXTWGEPZSA-N 263.768 3.668 30 20 CHED Clc1cnc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)nc1 857221662 KPVGBXZRBXSDDC-WDEREUQCSA-N 278.787 3.888 30 20 CHED Cc1cc(F)c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(F)c1 857627934 WWRZFHNMHOBSSD-WDEREUQCSA-N 279.286 3.512 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1nn(C)cc1Cl 858682749 OBZCWICKLGVYBJ-GFCCVEGCSA-N 299.846 3.800 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N(CCC#N)CC(C)C 858826853 PXDKNLLOVMPMME-INIZCTEOSA-N 286.419 3.572 30 20 CHED Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C#CC1CC1 868530978 SQVVWWYARVJCSS-UHFFFAOYSA-N 285.240 3.505 30 20 CHED N#Cc1cc(Cl)ccc1SCOC1CCC1 871658383 VOHVDJSMHULPRV-UHFFFAOYSA-N 253.754 3.830 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1(C)CC(F)(F)C1 875253554 LBCRRFNYYFIDSN-UHFFFAOYSA-N 293.357 3.679 30 20 CHED C[C@H](CCC#N)CN1CC[C@H](c2c(F)cccc2F)C1 877399252 LLGKRYJSLVFUMJ-OLZOCXBDSA-N 278.346 3.694 30 20 CHED CC(C)(C)CN(C(=O)c1ccc(C#N)s1)c1ccccn1 891498248 QHXRXYBKLKQKEL-UHFFFAOYSA-N 299.399 3.708 30 20 CHED C=CCC[C@@H](CCC)NCCOC1CCSCC1 898439710 LBHIOTMQZNOBJR-CQSZACIVSA-N 271.470 3.623 30 20 CHED CC(C)(C)OCc1cccc(NC[C@@H](C#N)CCC#N)c1 899897486 ZCYLLVKKAJJPTC-OAHLLOKOSA-N 285.391 3.857 30 20 CHED C=C1CCC(C(=O)N(Cc2ccc(O)cc2)CC2CC2)CC1 901127527 KBYVXLVBTZMYDH-UHFFFAOYSA-N 299.414 3.877 30 20 CHED C=CCC[C@@H](NCc1ccc2nonc2c1)c1ccco1 903324162 HSJRPVLKZMYYNF-CQSZACIVSA-N 283.331 3.613 30 20 CHED C=CCN(C(=O)COc1cc(C)ccc1C(C)C)C(C)C 914683022 BIVMKQYTQNRFTC-UHFFFAOYSA-N 289.419 3.920 30 20 CHED CCOc1cccc(C=NNc2cccc(C)c2)c1 915935692 GOVSNFNFEPCLIN-UHFFFAOYSA-N 254.333 3.840 30 20 CHED N#CCCCCOC(=O)c1ccsc1C(F)F 924252586 KNIBIQVVMYGION-UHFFFAOYSA-N 259.277 3.536 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1nc(Br)ccc1F 925433590 ZFCLGHCQOYLOMY-RKDXNWHRSA-N 287.176 3.598 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H](Cc1ccccc1)C1CC1 925452523 WOJIGXCXDGXGSJ-PBHICJAKSA-N 270.420 3.926 30 20 CHED C=CCOCCN[C@H](c1cccnc1)c1cc(C)cc(C)c1 926114711 GKUCAOVJCAOZGW-LJQANCHMSA-N 296.414 3.580 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H](O)c1cccc2ccccc12 926692164 GGVWTBUBACOTKG-KDOFPFPSSA-N 296.414 3.791 30 20 CHED C#CC[C@H](NCc1coc(C(C)(C)C)n1)c1ccccc1 930219066 CXPTXEOIHKFFCC-INIZCTEOSA-N 282.387 3.826 30 20 CHED CC(C)CN(C[C@H](O)CC#N)[C@@H](C)c1ccccc1Cl 930371562 WZAHNIYIYVMYNG-UONOGXRCSA-N 294.826 3.634 30 20 CHED C#Cc1cccc(N(C)C(=O)N[C@@](C)(CC)C(F)(F)F)c1 933513665 FHZWOJOCVOVNNO-AWEZNQCLSA-N 298.308 3.545 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](CCC#N)c1ccccc1 935027963 VLDNLLRUQZWLFK-HOCLYGCPSA-N 270.376 3.750 30 20 CHED N#CCc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 1115844912 HLVFEBPOMAXEJO-JKSUJKDBSA-N 297.402 3.797 30 20 CHED C[C@@]1(CCNc2c(C#N)cccc2C#N)CC1(Cl)Cl 1117801127 DNGPCLNRMKGJJF-CYBMUJFWSA-N 294.185 3.816 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)c1cccc2c1CCCN2 1120643511 QJIVXKRTWIDLPD-UHFFFAOYSA-N 272.392 3.610 30 20 CHED C#C[C@H](C)OC(=O)c1nc(-c2ccccc2)oc1C(C)C 1122633666 PSZGAFAEIZBQKM-LBPRGKRZSA-N 283.327 3.644 30 20 CHED N#CCOc1cccc(NC(=O)c2ccsc2Cl)c1 1125149833 ZYNJXAJWKIFYNA-UHFFFAOYSA-N 292.747 3.556 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1ccc(CC#N)cc1 1126375215 LNFHJSWBAUMDFE-WWGRRREGSA-N 271.360 3.734 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1129724234 GLRKOSYUQYGSGH-KBXIAJHMSA-N 263.381 3.828 30 20 CHED CCc1ccc(N[C@@H](C)c2cccc(C#N)c2)nc1 1167710867 RXMQDABAZGIHLF-LBPRGKRZSA-N 251.333 3.689 30 20 CHED CN(CC(C)(C)C)c1nccc(Oc2cccc(C#N)c2)n1 1185198340 ZDJDFKGLYFAARN-UHFFFAOYSA-N 296.374 3.623 30 20 CHED CN(Cc1cc(C#N)ccn1)Cc1cccc2ccccc12 1232480816 LSMNEPNLTZTCKH-UHFFFAOYSA-N 287.366 3.738 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)C[C@H]1CC1(C)C 1232609610 MGDJTTWBQQFTHR-CYBMUJFWSA-N 262.784 3.690 30 20 CHED N#CC1(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)CC1 1254177656 LRPROPNZBZMBKO-FUHWJXTLSA-N 266.388 3.691 30 20 CHED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3C[C@H]3F)c2)cc1 1265040220 LQZQVMVFJQAAST-JKSUJKDBSA-N 296.301 3.647 30 20 CHED CCC(CC)(CNc1cc(C#N)nc(C)n1)c1ccccc1 1306982837 RJQKTCLIYZYVOR-UHFFFAOYSA-N 294.402 3.827 30 20 CHED COC(=O)[C@H]1CCCC[C@H]1CSc1ccc(C#N)cc1 1307292113 GYAREPDQDLLPMW-ZFWWWQNUSA-N 289.400 3.630 30 20 CHED COc1ccc(C#N)cc1CN1CCCC[C@@H]1CC(C)C 1307558520 RCFNAURVSRQPFR-QGZVFWFLSA-N 286.419 3.967 30 20 CHED Cc1cc(CN2C[C@@H](C)c3ccccc32)ccc1C#N 1308827602 QPBHZHCJYLHXMC-CQSZACIVSA-N 262.356 3.990 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H](C)CC1CCCCC1 1318547805 QRKPOYUTYZEUOH-OAHLLOKOSA-N 278.440 3.991 30 20 CHED Cc1cc(F)ccc1C=NNc1ccc(C(C)(C)C)nn1 1318625212 AGNGVLXAENEHNJ-UHFFFAOYSA-N 286.354 3.668 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(N)c(Cl)c1 1319547627 ZCGDQDORPQYLQC-UHFFFAOYSA-N 277.730 3.816 30 20 CHED C#CCCCNC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1320795241 QGLGUGOVEUAKKE-UHFFFAOYSA-N 283.415 3.761 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)CC#Cc2ccccc2)s1 1322556897 DFZCMSJKORSVEG-CQSZACIVSA-N 297.423 3.546 30 20 CHED C#CCN(CC1CC1)C(=S)Nc1cccc(Cl)c1C 1322953035 UCKRJRYNROEWMX-UHFFFAOYSA-N 292.835 3.690 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@@H]2CCCC[C@H]2C1 1323234329 OWHZAZGKOUDZLC-HOTGVXAUSA-N 284.403 3.579 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](c2cccc(C)c2)C1 1337223732 RWBKMQNJLXHJDV-INIZCTEOSA-N 257.377 3.667 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1oc2c(F)cccc2c1C 1337716202 NTFZOPWALGOQHY-LLVKDONJSA-N 288.322 3.645 30 20 CHED C=CC[C@@H](NCc1c(C)cc(Cl)cc1C)C(=O)OCC 1339092555 DBAUSHMAMZUGIR-OAHLLOKOSA-N 295.810 3.554 30 20 CHED C#CC[C@@H](CC)c1nnc(N2CCC(=C)CC2)n1CC(=C)C 1342512817 NZGXXQSLJGCZPC-MRXNPFEDSA-N 298.434 3.528 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cc(-c3ccccc3)ns2)C1 1342574089 HLXIQGZYXJJVNE-DGCLKSJQSA-N 298.367 3.659 30 20 CHED Cc1cnc(Cl)cc1C(=O)O[C@H](C)CC(C)(C)C#N 1345419840 JQROJJMRVJTXBP-SNVBAGLBSA-N 280.755 3.529 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 1351341397 NQCFBJPYPAMIST-JTQLQIEISA-N 291.420 3.536 30 20 CHED N#C[C@@H](Nc1ccc2occc(=O)c2c1)C1CCCCC1 1353988262 KKGPAPRASYFMHE-OAHLLOKOSA-N 282.343 3.677 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2F)C1 1435089397 UOIVKJJNXDXWDR-KBPBESRZSA-N 288.366 3.642 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)Nc1cccc(C#N)c1 1465139695 HBMREXQAERJLDJ-UHFFFAOYSA-N 293.370 3.839 30 20 CHED N#Cc1cnc(Sc2ccc(F)cc2F)c(F)c1 1472642711 DKTLCXRIGVAUDX-UHFFFAOYSA-N 266.247 3.522 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCc3ccc(F)cc32)cc1C#N 1524315403 VKTLVQZTPVRJJS-QGZVFWFLSA-N 295.313 3.850 30 20 CHED CC[C@@H](C)CN(CC)C(=O)[C@@H](CC#N)c1ccccc1 1539984418 NUVQVAGOQAHXIQ-ZBFHGGJFSA-N 272.392 3.578 30 20 CHED CCOC(=O)[C@@H](Sc1ccc(C#N)c(C)c1)C(C)C 1559428877 AQTGXQQNQLTMLY-AWEZNQCLSA-N 277.389 3.547 30 20 CHED COc1cccc(CN2CCCC(C)(C)[C@@H]2C#N)c1Cl 1559813131 VQDVYLHPZKXPSC-AWEZNQCLSA-N 292.810 3.863 30 20 CHED Cc1cnc(OC(C)C)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 1560848500 JKHLXXXPZLCFMR-ZIAGYGMSSA-N 273.380 3.672 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2sccc2C#N)[C@@H]1C 1563024515 MTFQMNLQFIMNHT-NQBHXWOUSA-N 291.420 3.814 30 20 CHED CCOc1ccc(Nc2cc(C)c(C#N)cn2)cc1OCC 1639153869 BRLYEXQLQJNUGR-UHFFFAOYSA-N 297.358 3.803 30 20 CHED CCc1c[nH]c2ncnc(Sc3cccc(F)c3C#N)c12 1651987310 YBOBJQSQXYGGMR-UHFFFAOYSA-N 298.346 3.682 30 20 CHED C=C(Cl)CN[C@](C)(CC)COc1ncccc1Cl 1653816454 YYEBYFOUZJFXQQ-CYBMUJFWSA-N 289.206 3.625 30 20 CHED N#Cc1cnc(NCC2(c3ccc(F)cc3)CCC2)c(F)c1 1655071921 DXCNVSIAICECTK-UHFFFAOYSA-N 299.324 3.765 30 20 CHED CSCc1ccc(CNc2ncc(C#N)cc2F)cc1 1655458200 MXOVIZCDUDNDTP-UHFFFAOYSA-N 287.363 3.567 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 1665578604 DITPLNCDCLGXIZ-ZDUSSCGKSA-N 271.364 3.506 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)NCC(C)(C)CC#N)CC1 1681627069 ZEDYLBVVCUWOMF-LSDHHAIUSA-N 293.455 3.830 30 20 CHED CCC(CC)CC=NNc1ccc(C(=O)O)c(F)c1 1776074097 IARQZUJBVKREFA-UHFFFAOYSA-N 266.316 3.748 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2F)o1 1776966003 ONWSBDXNUZVGMX-SOFGYWHQSA-N 288.274 3.575 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)C1(C#N)CCCC1 55769577 ZIYIZZVWZZXDAE-UHFFFAOYSA-N 286.375 3.805 30 20 CHED C=CCCCSc1nncn1CCc1cccs1 117550100 VALQPRMLDOBCAC-UHFFFAOYSA-N 279.434 3.641 30 20 CHED N#CCCCCN[C@@H]1CCC[C@H]1Cc1ccccc1 178646880 OGFAYZSIGPWEMN-DLBZAZTESA-N 256.393 3.681 30 20 CHED C=CCOc1cccc(CN[C@H]2CCc3c(O)cccc32)c1 105487338 AZYORHVIGKWKCH-SFHVURJKSA-N 295.382 3.734 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccncc1Cl 173204841 YMRYZLIZMNOOQC-UHFFFAOYSA-N 288.753 3.510 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@H](CC(C)C)C1 178558089 LOBSXGMGCJBLDZ-CQSZACIVSA-N 285.391 3.767 30 20 CHED C=CCCCC(=O)NC[C@H](C)Oc1ccc(Cl)cc1 176072368 RYUZIDMZQRRXEF-LBPRGKRZSA-N 281.783 3.580 30 20 CHED CC[C@H]1CN(c2cccc(C#N)n2)CC[C@H]1c1ccccc1 301428427 INEPAIYUKVUTAJ-MAUKXSAKSA-N 291.398 3.973 30 20 CHED C[C@H](CC#N)NC(=O)C1(Sc2ccccc2)CCCC1 116739221 VCIFXXZMABWIEH-CYBMUJFWSA-N 288.416 3.510 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)c1cccc(OC(F)F)c1 301502846 HFODBGRJIYCWPL-SNVBAGLBSA-N 289.285 3.728 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 176020943 RRTZCMIRPDNRMY-BRWVUGGUSA-N 279.339 3.789 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 177080024 RJEVMRPYJKPASS-ZWKOTPCHSA-N 299.414 3.791 30 20 CHED Cc1cccc(CSCC(=O)Nc2ccc(C#N)cc2)c1 28313603 RAWAOHKPVCEZNI-UHFFFAOYSA-N 296.395 3.739 30 20 CHED CO[C@@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 175808564 WYABXSXRXARDGY-CXAGYDPISA-N 295.338 3.550 30 20 CHED C=CCS[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 114757400 VKBASBKVDIXHAZ-DZGCQCFKSA-N 277.433 3.952 30 20 CHED C#CCCCCC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 119696570 DRKVUTGFAGMBIB-OAHLLOKOSA-N 282.387 3.661 30 20 CHED C=C(C)CSCCC(=O)NCc1ccccc1Cl 177871028 ZWRBZNYJCHMDIC-UHFFFAOYSA-N 283.824 3.656 30 20 CHED C=CCN(CCCCCCO)Cc1ccc(Cl)s1 175739112 XLMCPVUPHRPUEY-UHFFFAOYSA-N 287.856 3.942 30 20 CHED N#Cc1sc(SCC2CCCC2)nc1Cl 306734292 UQEALTIYIIEUBU-UHFFFAOYSA-N 258.799 3.950 30 20 CHED CC(C)(CNc1ncccc1C#N)Cc1ccccc1 301305051 XVHAAGZMVBWARP-UHFFFAOYSA-N 265.360 3.634 30 20 CHED C=CCCSc1cc2c(cc1Cl)OCCO2 303764163 FUCYSGIUVPXXQV-UHFFFAOYSA-N 256.754 3.779 30 20 CHED C[C@@H](CC(=O)N(CC#N)c1ccccc1)c1ccccc1F 171159976 ZGJKKFSFYBUANJ-AWEZNQCLSA-N 296.345 3.876 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCC1CCC1 37180910 SXLMUUCVDRCFNA-UHFFFAOYSA-N 254.255 3.789 30 20 CHED N#Cc1cc(F)c(NCc2cc3ccccc3[nH]2)c(F)c1 301130220 QSGGIXJEOMSHMO-UHFFFAOYSA-N 283.281 3.930 30 20 CHED N#Cc1c(F)cccc1N(CCC(F)(F)F)CC1CC1 301556775 IVSKIXJLRMWHIH-UHFFFAOYSA-N 286.272 3.866 30 20 CHED CNC(=O)c1ccc(/C=C\C(=O)c2ccc(C)c(C)c2)cc1 212804553 UMUJGSSAAWLVTC-XFFZJAGNSA-N 293.366 3.559 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(C)[nH]c2ccccc12 182655826 DZJZZZRHLDCNJW-GFCCVEGCSA-N 270.376 3.951 30 20 CHED CCCCn1c(S[C@H](C#N)CC)nc(C)c1C 127424493 DGYHWVOKSIKSGQ-LBPRGKRZSA-N 251.399 3.694 30 20 CHED C#CCC(C)(C)C(=O)Nc1ncc(Cc2ccccc2)s1 185002337 BXLXLWDQFFVNBP-UHFFFAOYSA-N 298.411 3.722 30 20 CHED COc1ccc(C#N)cc1COc1cccc(Cl)c1 129265596 QORQWQXVOMKOSX-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc2c1ccn2C 78419606 WWTBNIRHISNCCD-UHFFFAOYSA-N 297.402 3.580 30 20 CHED CCCC[C@H](CC)C(=O)N[C@H](C)c1cccc(C#N)c1 75276393 RINNTUSFQXMJJH-HIFRSBDPSA-N 272.392 3.952 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)c1cc(C)sc1C 125268563 GXIONCUSTPUIOT-VXGBXAGGSA-N 281.421 3.523 30 20 CHED C=CCCC(=O)NC(C)(C)c1cccc(Cl)c1F 184204873 PUOZFCOVBOHCOK-UHFFFAOYSA-N 269.747 3.797 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C#N)C(C)(C)C 122232224 SGQCGWAKRBGMBG-ZFWWWQNUSA-N 272.392 3.543 30 20 CHED CCc1nc(C)c(CNc2c(C#N)cnc3ccccc23)o1 319866975 WDPKGTCZBGQDGJ-UHFFFAOYSA-N 292.342 3.577 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccoc1 181574558 UNAFMQMLCPYAJM-BBRMVZONSA-N 254.333 3.975 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc2c(cc1O)CCCC2 186114299 MQWVPEOIGYRERI-AWEZNQCLSA-N 289.419 3.514 30 20 CHED CC[C@H]1[C@H](C)CCN1C(=O)c1cccc(SCC#N)c1 185410805 YKPAKAMGCXBSDZ-DOMZBBRYSA-N 288.416 3.563 30 20 CHED N#CC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC1 129002606 GVQVCUXVUVPADN-UHFFFAOYSA-N 284.359 3.640 30 20 CHED C=C(C)[C@@H](Nc1ccc(C#N)nc1)c1ccc(F)c(F)c1 185777468 MUCNNAPOERVCDQ-MRXNPFEDSA-N 285.297 3.961 30 20 CHED N#Cc1c(Cl)cccc1N1CCC[C@H]1c1cccnc1 335946112 CRKXNJMVOUPSMS-HNNXBMFYSA-N 283.762 3.948 30 20 CHED C#CCC(C)(C)C(=O)NCc1cccc(OCCCC)c1 185171797 SMJTWNNHGWKNNI-UHFFFAOYSA-N 287.403 3.531 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1c(C)cccc1SC 184688885 JCFHNERKJVUKBN-LLVKDONJSA-N 277.393 3.531 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl 186111788 AUJJKFWAEZIVRB-RISCZKNCSA-N 276.767 3.623 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)CCc1cccc(F)c1 410140261 QFRZNGPAJJMXRF-BBRMVZONSA-N 277.383 3.865 30 20 CHED Cc1nc(N2CCC[C@@H](C)[C@@H]2C)c(Cl)cc1C#N 336786464 CASFPFHCMIUWJZ-KOLCDFICSA-N 263.772 3.540 30 20 CHED Cc1cc2cc(C(=O)[C@H](C#N)c3ccccn3)oc2cc1C 122751691 VIHTZCFOAJHAQW-CQSZACIVSA-N 290.322 3.935 30 20 CHED Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(CN(C)C)c1 185747498 XAFWFUJGCVEVHY-GOEBONIOSA-N 271.408 3.551 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc2c(cc1Cl)OCCO2 189974511 YXFACUDUTPHDBV-HNNXBMFYSA-N 295.766 3.652 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@H]2CCCOCC2)c1 185674890 GHTWLEHFOWJAOA-NSHDSACASA-N 284.281 3.558 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CC[C@@H](C)c1ccccc1 410829749 SDMBCXFHSFPRSG-ZBFHGGJFSA-N 272.392 3.721 30 20 CHED COc1ccccc1[C@H]1CCN(c2cccc(F)c2C#N)C1 78021467 YNMRZXKANBPDBA-ZDUSSCGKSA-N 296.345 3.700 30 20 CHED C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCC1 418144735 VCIJJLMERPWRAS-LBPRGKRZSA-N 296.336 3.920 30 20 CHED CC(C)(CC#N)CN=c1[nH]c(-c2ccc(F)cc2)cs1 413411200 QTCPCGBWARNUOQ-UHFFFAOYSA-N 289.379 3.723 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ccc(C)cc1 181376700 XAPPZWKVNNOIMW-HNNXBMFYSA-N 274.408 3.881 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3ccccc3F)C2)c(F)c1 501246496 PVIGCAAGCJMSMZ-CYBMUJFWSA-N 284.309 3.830 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1 504676342 HPQILHJFYVIKPC-LMLQULGWSA-N 295.386 3.504 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(C)c(Cl)c2)cn1 194159528 DAJLLEGQIUDZRL-VOTSOKGWSA-N 274.751 3.761 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NCc1ccc(C#N)cc1F 192541499 XUOAMAIIDCOWJP-UHFFFAOYSA-N 299.305 3.835 30 20 CHED C#CCCCCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 179669606 ONXGWMFDTKLUKV-ZDUSSCGKSA-N 261.340 3.539 30 20 CHED CC1(C)CCC[C@H]1/N=C(/O)Nc1scnc1C1CC1 328937226 RCNAAMIBBIFPKJ-SNVBAGLBSA-N 279.409 3.925 30 20 CHED C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)CC 194392722 UHSQTVCSGJHFAH-CVEARBPZSA-N 289.419 3.795 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc3scnc3c2)C1 193355876 VHFYBEJZQNFHSW-MNOVXSKESA-N 257.362 3.791 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@H]1OCCc2ccccc21 80119463 KYIJHZFEVQVLFZ-QGZVFWFLSA-N 298.773 3.938 30 20 CHED N#CCC1(COc2ccccc2Br)CC1 88255537 INNSPQIVYYTCMU-UHFFFAOYSA-N 266.138 3.522 30 20 CHED O/C(CC12CC3CC(CC(C3)C1)C2)=N/Cc1cccnn1 329957694 PMUWXHVWCCMIPY-UHFFFAOYSA-N 285.391 3.540 30 20 CHED CC#CCNC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C 190091263 GAJPARMMXCULMT-OAHLLOKOSA-N 299.418 3.519 30 20 CHED C=C(Cl)CN1CCC[C@H]1c1nc2ccccc2n1CC 84496604 DOXYHWFTCWHMHV-HNNXBMFYSA-N 289.810 3.946 30 20 CHED N#CC1(c2ccccc2)CC(NCC(C2CC2)C2CC2)C1 88455455 YLVCLEMHGYIPBC-UHFFFAOYSA-N 280.415 3.636 30 20 CHED CC(C)(C#N)CCN[C@H](CC(F)F)c1ccccc1 421002976 YLYNEDSOMMCANW-CYBMUJFWSA-N 266.335 3.912 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCO[C@H](C(C)C)C2)cc1 512573847 OMWCOXJUAFVAPC-AEFFLSMTSA-N 289.419 3.545 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCCCCO)cc1 192932654 NXPCYUHJQJUJDP-CQSZACIVSA-N 297.826 3.631 30 20 CHED COc1c(C)ccc(N[C@@H]2CCC[C@H](C#N)C2)c1C 193073088 ZDNIOIPHISFRKY-UONOGXRCSA-N 258.365 3.806 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2Cc2ccc(F)cc2)cc1 515607435 SWQPBWHSKAPOFN-GOSISDBHSA-N 280.346 3.909 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCc2cccc(Cl)c2)C1 192977447 CAMYKUSHOMZWCI-GDBMZVCRSA-N 276.811 3.945 30 20 CHED Cc1cc(C)c2c(c1)N(C(=O)c1cc(C#N)cs1)CCC2 84095220 KSBRNBPZTCIWFR-UHFFFAOYSA-N 296.395 3.830 30 20 CHED Cc1ccc2sc(C(=O)N(C)CC(C)(C)C#N)cc2c1 335869365 DROVHVVDVMAEKA-UHFFFAOYSA-N 286.400 3.832 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccccc3F)o2)C1 424197758 OOFAHYKJUNAJJP-QWHCGFSZSA-N 284.334 3.868 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)C2CC(C)(C)C2)c1 332504331 XOXJBSBVTCZZJF-UHFFFAOYSA-N 271.364 3.519 30 20 CHED C=C[C@H](C)NC(=O)c1cnn(CC(C)C)c1-c1ccccc1 428496821 GLDFKHDHMOVXNY-AWEZNQCLSA-N 297.402 3.510 30 20 CHED C=CCN(C[C@H](OC)c1ccc(Cl)cc1)C1CC1 514137346 FIHMQLAGGWSUBC-HNNXBMFYSA-N 265.784 3.678 30 20 CHED CC(C)c1ncsc1/C(O)=N/CC1(C(=N)O)CCCC1 331304689 DKTMLUMFBMHQNO-UHFFFAOYSA-N 295.408 3.667 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(C)(C(C)C)CC1 424787307 HRBKXOIYRHDMOG-UHFFFAOYSA-N 251.414 3.873 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccncc1Cl 421839090 WMLFDVMWYNXUBT-GFCCVEGCSA-N 297.789 3.947 30 20 CHED C[C@H](NCCCCC#N)c1nc2ccc(Cl)cc2n1C 91319615 PSQZUHAHSFCHTF-NSHDSACASA-N 290.798 3.571 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(F)cc1Cl 90451153 HSUGPTRHIZPUGO-LLVKDONJSA-N 271.763 3.722 30 20 CHED CCCC[C@H](CC)CNC(=O)NCc1ccc(C#N)s1 420766301 RWRQPOBXVLBURN-LBPRGKRZSA-N 293.436 3.635 30 20 CHED C[C@H]1C[C@@]1(NCc1ccc(C#N)cn1)c1ccc(Cl)cc1 518996072 RZWLTLHRGUKCKZ-SJCJKPOMSA-N 297.789 3.632 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 424119650 GAGDCAISCFQXEY-NTZNESFSSA-N 298.308 3.928 30 20 CHED C=CCC[C@H](C(=O)Nc1ccnn1CC)c1ccccc1 513571126 FYFBVHXHMPGXJV-HNNXBMFYSA-N 283.375 3.592 30 20 CHED C=CCCC(C)(C)NC(=O)c1occc1Br 620859115 WXOYILSYZNYWSC-UHFFFAOYSA-N 286.169 3.517 30 20 CHED CCOC(=O)C[C@H](C)SCCCCC(C)(C)C#N 436196552 VIMFMQPFGJFEPD-LBPRGKRZSA-N 271.426 3.781 30 20 CHED CC(C)n1cc2cc(N/C(O)=N/CCC3CC3)ccc2n1 330030758 SCXKSCLUDQDISC-UHFFFAOYSA-N 286.379 3.743 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 517350011 XCNBZKNYZHLOOS-FUHWJXTLSA-N 289.419 3.526 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 334532992 BDAQMCMDHAXWGE-DGCLKSJQSA-N 288.778 3.947 30 20 CHED C[C@H]1CCC[C@H](C)N1Cc1ccc(C#N)cc1OC(F)F 437142946 CMZNFJAKALOWRM-RYUDHWBXSA-N 294.345 3.923 30 20 CHED C=C(C)COCCN[C@H]1CC[C@](C)(c2ccccc2)C1 438201692 QTRUXUWFCSIFIM-ROUUACIJSA-N 273.420 3.679 30 20 CHED C=CCOc1cccc(CNc2ccc(C(=O)OC)cc2)c1 432413741 HXSPIPDTWJAEFM-UHFFFAOYSA-N 297.354 3.650 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](CCC#N)c1ccccc1 432113014 OMRUVDCBSYNNAI-INIZCTEOSA-N 299.418 3.933 30 20 CHED CC(C)N(Cc1ccc(N(C)CCC#N)cc1)C1CCC1 93608369 FUMBFSFBGCQGKT-UHFFFAOYSA-N 285.435 3.799 30 20 CHED CC1(C)COc2cc(NC(=O)C3(C#N)CCCCC3)ccc21 529641522 BXDQFMDCGSFILB-UHFFFAOYSA-N 298.386 3.769 30 20 CHED CCC(C#N)(CC)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 528966660 MELKSFUTKPWXND-LLVKDONJSA-N 289.404 3.773 30 20 CHED C[C@H](SCc1ccc(C#N)cc1Cl)c1cnccn1 438881762 ZRMZJWPKWVZWPN-JTQLQIEISA-N 289.791 3.996 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1ccc(F)c(C#N)c1 340869173 KWXKDPUIZKIYNT-UHFFFAOYSA-N 298.317 3.657 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 341241675 YGSKYSVYIWXYMN-SQWLQELKSA-N 283.375 3.649 30 20 CHED C[C@@H](CC(=O)N(CCC#N)Cc1ccco1)c1ccccc1 248179222 XQXZHJRWVMDWHO-HNNXBMFYSA-N 296.370 3.716 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1 345903357 JJLCXTKUIJMHIU-ZDUSSCGKSA-N 290.382 3.765 30 20 CHED C=CCC[C@H](NC(=O)Nc1cnc(C)nc1)c1ccccc1 435615043 HUDYHUGTJGZVBF-INIZCTEOSA-N 296.374 3.614 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)cc1 521269587 HGAGYYOYNHLOLH-OCCSQVGLSA-N 256.349 3.713 30 20 CHED C=CCN(Cc1ccc(OC)cc1)CC1(SC)CC1 347632272 AMCSLIJHKJDUFO-UHFFFAOYSA-N 277.433 3.579 30 20 CHED C=CCC1(c2nc([C@@H]3CC[C@H](C)O3)no2)CCCC1 528244334 WDKCDBOFBVCNPQ-RYUDHWBXSA-N 262.353 3.698 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCc2cc(OC)c(OC)cc21 343502093 JTTVYKGWRRWTIJ-UKRRQHHQSA-N 275.392 3.635 30 20 CHED C[C@@H](CN(C)CCC#N)Oc1ccc(Cl)c(Cl)c1 346477830 DVJLECWXNQGBKR-JTQLQIEISA-N 287.190 3.606 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(SC)cn1 345218486 MCIUPZLRHBXOEG-NSHDSACASA-N 279.409 3.670 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C#N)cc1 609043137 ZLMPQDVCODPYHE-DLBZAZTESA-N 299.418 3.716 30 20 CHED N#Cc1cnc(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c(Cl)c1 434946682 LAHWKCYHXKAOOI-CWRNSKLLSA-N 295.773 3.747 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC[C@H](C)C1 345268477 BSIZDELAUZIMEG-DZGCQCFKSA-N 264.413 3.601 30 20 CHED C=CC[C@H](CO)CN[C@H](CC1CCC1)c1ccccc1 344310855 WPJPPRLRKDLFKI-FUHWJXTLSA-N 273.420 3.692 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCO[C@H](CC)C2)n1 340784286 WPFMEIRDLAIKSQ-NWDGAFQWSA-N 264.369 3.596 30 20 CHED C=C1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CC1 341993541 DRCANUALQBIIBU-UHFFFAOYSA-N 293.414 3.513 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 449866666 DXGIDCGGCDSFCO-MAUKXSAKSA-N 288.435 3.745 30 20 CHED Cc1cccc(-n2ccnc2S[C@H](C#N)C2CC2)c1 601072891 WTDHOWTURIYGAI-CQSZACIVSA-N 269.373 3.575 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C#N)s1)C2 255208096 PSMFVCNFLPBUTB-WQLSENKSSA-N 265.337 3.751 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(O)c1)C2 255495884 AAASOEDVWNTILJ-RIYZIHGNSA-N 250.297 3.523 30 20 CHED Cc1nc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)ccc1C#N 603566926 HMRSBAIONSUYFY-LSDHHAIUSA-N 299.418 3.596 30 20 CHED COC[C@@H](NC[C@@H](C)CCC#N)c1cccc(Cl)c1 602667998 ACOHMEGUKBBUEO-SWLSCSKDSA-N 280.799 3.557 30 20 CHED CC(C)Cn1ccc2c(C(=O)N(C)C[C@@H](C)C#N)cccc21 446099795 LHCNDODKWAFJDD-AWEZNQCLSA-N 297.402 3.529 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccc(F)c(C)c1 444088338 SQLXHZSQMOZRAD-UHFFFAOYSA-N 278.371 3.632 30 20 CHED Cc1cc(C)c(C(=O)N2CCCc3cc(C#N)ccc32)s1 602342011 NWIKZMFHBJRHJB-UHFFFAOYSA-N 296.395 3.830 30 20 CHED C=CCOCCCSc1ccc(C(C)=O)cc1OC 355953726 KZULBNIYFCDSAF-UHFFFAOYSA-N 280.389 3.583 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)n1 602538326 KCPAFMZFCBOCIK-GOSISDBHSA-N 295.361 3.723 30 20 CHED C=C(C)[C@@H](CC(=O)N(C1CCC(C)CC1)C1CC1)OCC 533715382 AGHWKNOPRDATPG-VMBOVVBDSA-N 293.451 3.927 30 20 CHED CNCC1(c2ccc(-c3ccc(C#N)s3)cc2)CC1 600774846 HJEHEZQSYHCNOW-UHFFFAOYSA-N 268.385 3.538 30 20 CHED C[C@@H](CC#N)NCc1ccc(OCc2ccc(F)cc2)cc1 602867454 CEAXSOKGMCXAAH-AWEZNQCLSA-N 298.361 3.796 30 20 CHED C[C@H]1CCN(Cc2cccc(C#N)c2)CC12CCC2 357007576 DRGFHSGWBOITTG-AWEZNQCLSA-N 254.377 3.570 30 20 CHED COCCCCSCc1ccc(C#N)cc1Cl 350721800 XEUJCILRSKAGPY-UHFFFAOYSA-N 269.797 3.871 30 20 CHED C=C1CCN(C(=O)C2(CCOCc3ccccc3)CC2)CC1 352850196 LAJWBUNLMCRADG-UHFFFAOYSA-N 299.414 3.552 30 20 CHED CC1(C#N)CCC(NCCCNc2ccccc2)CC1 449057764 DVNHDZKNUFSNKN-UHFFFAOYSA-N 271.408 3.551 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 538323165 IJQAGRSGAOIHJI-KKBVYLPWSA-N 293.838 3.954 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] 357169309 GQQMYVPAPAUFKN-OAHLLOKOSA-N 297.289 3.705 30 20 CHED N#Cc1ccc(N[C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] 357494398 XKUQYWJZJYAVBL-CYBMUJFWSA-N 297.339 3.725 30 20 CHED Cc1nc(NC(=O)C[C@H](CC#N)c2ccccc2)sc1C 354600640 MFLNOJCNFJPLKS-AWEZNQCLSA-N 299.399 3.786 30 20 CHED CC(C)(C)CN(CCC#N)CCOC1CCCCCC1 610133191 KAUAFAUAYGOKMN-UHFFFAOYSA-N 280.456 3.988 30 20 CHED C=CCC1(NC(=O)CC2CCC(C)(C)CC2)CCOCC1 618248752 UEKUSBNZQLBHOL-UHFFFAOYSA-N 293.451 3.834 30 20 CHED C=CCOCCCSCc1nc(C)sc1C 359154963 PSSGOINUJQFJBM-UHFFFAOYSA-N 257.424 3.586 30 20 CHED CC(C)(C)OCc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 442774970 DQVZIVPZIKEINY-WMLDXEAASA-N 286.419 3.784 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)C(C)C 539463116 GAYKQOKXXSEGDM-KGLIPLIRSA-N 266.429 3.950 30 20 CHED Cc1cc(-c2noc(/C=C\c3ccccc3C#N)n2)c(C)o1 445860920 HGQIMPUEZLQIQJ-FPLPWBNLSA-N 291.310 3.989 30 20 CHED CC(C)(C#N)CNC(=O)c1cccc(Nc2ccccc2)c1 611696726 HKBQLLJTRPSRED-UHFFFAOYSA-N 293.370 3.710 30 20 CHED C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1cccc(Cl)c1 612236830 OXEOCIXTYJZUQG-LRDDRELGSA-N 290.794 3.596 30 20 CHED CCc1cccc2c1OCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 618571740 UEEBWQHZXDHSDO-QRTARXTBSA-N 284.403 3.745 30 20 CHED N#CCC1CCN(CCSCc2ccccc2)CC1 619166946 ZWROALHUKAFQGK-UHFFFAOYSA-N 274.433 3.545 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 536894319 UFYOVUIEMUZDKL-CVEARBPZSA-N 294.329 3.748 30 20 CHED CC1(CC(=O)N(CCC#N)Cc2ccco2)CCCCC1 269918680 FUVCPOWLSXZAEI-UHFFFAOYSA-N 288.391 3.882 30 20 CHED Cc1cc(N[C@H](C)c2ccc(C#N)cc2)nc(C2CC2)n1 265373476 PDSDRJRUHDINKC-GFCCVEGCSA-N 278.359 3.707 30 20 CHED COc1cc(C#N)ccc1NCCCCOC(C)(C)C 530436431 BLFDPEZNEVCMOH-UHFFFAOYSA-N 276.380 3.574 30 20 CHED C=CCC1(C(=O)N2C[C@H]3CCCC[C@H]3C2)CCCC1 450069756 XUNRBZVMAZMKAW-GASCZTMLSA-N 261.409 3.772 30 20 CHED CC(C)[C@H](C)N(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CC1 610664039 COXWGUKTEBHNRC-KGLIPLIRSA-N 299.418 3.838 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(F)c1 537183452 DJQZXOJZRBYXBL-LLVKDONJSA-N 250.317 3.692 30 20 CHED N#Cc1ccnc(SCCCc2ccsc2)c1 360948654 CBXXRXGNVKGGRL-UHFFFAOYSA-N 260.387 3.740 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@@H](C)c2ccccc21 453379263 YVLNQRBNCPYUCH-YYQUZTFQSA-N 257.377 3.558 30 20 CHED CC[C@H](NC[C@@H](OC)[C@H](C)CC)c1ccc(C#N)cc1 453271780 UHWKPEFUGYIFQE-XOKHGSTOSA-N 274.408 3.660 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ncc(C(F)(F)F)s1 277369141 ZYEUMSJIAJMTSU-ZETCQYMHSA-N 278.299 3.703 30 20 CHED C#CCCCCC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 278782147 PSZFGBFOCXUOIO-AEFFLSMTSA-N 283.415 3.893 30 20 CHED CCCCCC[C@@H](C)C(=O)Nc1cc(C)n(CCC#N)n1 271162839 WKLCEFOXFBOECL-CYBMUJFWSA-N 290.411 3.650 30 20 CHED CC1(C)CN(C(=O)c2cccc(F)c2C#N)c2ccccc21 614504392 UZOPXASOAULVDD-UHFFFAOYSA-N 294.329 3.635 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cnc(OC)c(Cl)c1 453314205 XWIIZZAGVXHVCY-JTQLQIEISA-N 268.788 3.606 30 20 CHED C[C@@H](C#N)C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 452834014 LKNAEVKMPHZZDN-AWEZNQCLSA-N 298.430 3.850 30 20 CHED C=CCN(C(=O)N[C@H](C)c1cc2ccccc2o1)C1CC1 271545718 ZOAASTGAYMLVCH-GFCCVEGCSA-N 284.359 3.854 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCC(F)(F)F)C1 617781376 LCHNLPCILKELLI-NSHDSACASA-N 263.303 3.534 30 20 CHED C[C@H](NC(=O)NCC(C)(C)C1CCC1)c1ccc(C#N)cc1 454344686 INTBWABLMZVINS-ZDUSSCGKSA-N 299.418 3.745 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](c2ccccc2)C1 275027893 RNFGYAQSVLUQNG-HNAYVOBHSA-N 292.382 3.693 30 20 CHED C=CCCN(C)C(=O)Nc1cc(OCC)ccc1OCC 276365715 WHPXIXNMPGIQAI-UHFFFAOYSA-N 292.379 3.524 30 20 CHED C=CCCN(C)C(=O)c1ccc(OCCCC)c(OC)c1 276465968 WLQHIWPTJDIJNF-UHFFFAOYSA-N 291.391 3.522 30 20 CHED Cc1cccc([C@H](C)Nc2cc(C)n(CCC#N)n2)c1 271038900 RACVIQQADIHDAL-AWEZNQCLSA-N 268.364 3.587 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccc(F)c(C2CC2)c1 455376879 BDJMQAWLFVEGDJ-UHFFFAOYSA-N 289.354 3.717 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 279857325 CEXHASWOCVNHIQ-HOCLYGCPSA-N 287.378 3.628 30 20 CHED C=CCCC(C)(C)NC(=O)COC[C@H](C)c1ccccc1 620864565 HTCPQNMOFUCGOC-HNNXBMFYSA-N 289.419 3.668 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](n2cc(C)cn2)C1 378094338 QDQYWOBNDARBNW-MRXNPFEDSA-N 291.439 3.716 30 20 CHED COc1ccc(-c2ccccc2)cc1CNC[C@H](C)C#N 543619727 LXMLTUHSYRKZNY-CQSZACIVSA-N 280.371 3.611 30 20 CHED C=CCOCCCC(=O)N(CC)[C@@H](CC)c1ccccc1 463574359 IXUCFXSTQMHQST-KRWDZBQOSA-N 289.419 3.969 30 20 CHED C=CCN(C(=O)[C@H]1SCCc2ccccc21)C(C)(C)C 622944055 BWWSEXYNTJJYGE-HNNXBMFYSA-N 289.444 3.830 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(Cl)c(C#N)c1 542545647 WRIIAVYNUFQKBC-GHMZBOCLSA-N 290.794 3.766 30 20 CHED C[C@H](CCc1cccc(F)c1)NCCc1cccc(C#N)c1 467438779 IFEDSKUTSFUJEE-OAHLLOKOSA-N 296.389 3.851 30 20 CHED COc1cc(C#N)ccc1NCC#Cc1cccc(Cl)c1 545998869 GZWIRYTVYMOKFC-UHFFFAOYSA-N 296.757 3.684 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCc1ccc(F)cc1 280788584 JEWHDJLVUTTZRF-LESCRADOSA-N 291.410 3.718 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1csc(C(C)(C)C)n1 620861091 ABORAASMNVBOFC-UHFFFAOYSA-N 294.464 3.844 30 20 CHED C=CCCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 286215337 CQQNIHRGKQXDED-GOEBONIOSA-N 257.377 3.952 30 20 CHED C=C(C)CCc1noc([C@H]2[C@H]3c4ccccc4C[C@H]32)n1 624606968 AXPRJYMOMVZBHG-VNQPRFMTSA-N 266.344 3.632 30 20 CHED CCC1(C(=O)N[C@@H](C#N)c2ccccc2F)CCCCC1 461092187 PVXBKPXXSCLXTQ-HNNXBMFYSA-N 288.366 3.867 30 20 CHED C=CCOCCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 286283385 IFUGVOJSMPDGMS-DOTOQJQBSA-N 287.403 3.579 30 20 CHED C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(C#N)c1 468585785 LRMUORHWHDRMPA-MDWZMJQESA-N 293.326 3.982 30 20 CHED C=CCC(C)(C)c1noc(CCc2ccccc2OC)n1 551490782 WESFKKTVYGDOFD-UHFFFAOYSA-N 286.375 3.717 30 20 CHED C=CC[C@@H](C)NCc1nc2cc(Br)ccc2o1 638609391 KZGSTAJAMGQGKQ-SECBINFHSA-N 295.180 3.645 30 20 CHED C=CCCCC[C@@H](C)NCc1cnn2ccccc12 552599823 SKSUDDIPCQFPKN-CQSZACIVSA-N 257.381 3.559 30 20 CHED Cc1ccc(F)c(NCCCC2(C#N)CCOCC2)c1 285315167 XFNQVOFUMKDNHN-UHFFFAOYSA-N 276.355 3.647 30 20 CHED CC(C)(C)[C@@H]1CC[C@@H]1NCCc1cccc(C#N)c1 554586962 YRRFBGOGWBEKCE-CVEARBPZSA-N 256.393 3.515 30 20 CHED C=C[C@@H](C)NC(=O)N(CCC)[C@H]1CCc2ccccc21 464761399 NWCMZGDKDCXDPS-CJNGLKHVSA-N 272.392 3.670 30 20 CHED CCc1occc1C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 281930692 HSXTUYBVWVPILM-CYBMUJFWSA-N 296.370 3.937 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ncccc2CC)no1 289086516 OTDWDHFHRFYZLO-HNNXBMFYSA-N 257.337 3.548 30 20 CHED C=CCCCCNC(=O)[C@H](C)Cc1ccc(Cl)cc1 471709468 PNRVIWVWPMRFTB-CYBMUJFWSA-N 279.811 3.991 30 20 CHED C#Cc1ccc(CN(C)Cc2ccc(C)s2)cc1 809568121 URUGFDJPPHXERZ-UHFFFAOYSA-N 255.386 3.670 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C2\CC[C@@H](C)C2)cc1 804139568 DELYHKCIFRALKO-RGHBXIHOSA-N 285.387 3.614 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)cc1 557400750 PNLXXEKNASUSDR-UHFFFAOYSA-N 293.370 3.976 30 20 CHED N#Cc1cccc(CN2CC[C@H](c3ccc(F)cc3)C2)c1 556883372 KVIMLCMCFVIZMN-KRWDZBQOSA-N 280.346 3.687 30 20 CHED C=CCN(C/C=C\c1ccc(F)c(F)c1)C(C)C 809547043 JLAGQKFQADLJLS-WAYWQWQTSA-N 251.320 3.874 30 20 CHED Cc1cc(F)ccc1C1CCN(CCCC#N)CC1 298185530 AOARSLKQLGBYSW-UHFFFAOYSA-N 260.356 3.617 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cnc(-c2ccccc2)s1 552124782 NOZLNLLURLWLFD-OAHLLOKOSA-N 285.372 3.688 30 20 CHED Cc1ccccc1/C=C/C(=O)c1cccc(C(=O)O)c1 806559254 XXBLUFVNJJDJEB-MDZDMXLPSA-N 266.296 3.589 30 20 CHED C=CCN(CC=C)C(=O)CCCOc1ccc2c(c1)CCC2 479816916 IZLNHMXWBPYVQX-UHFFFAOYSA-N 299.414 3.535 30 20 CHED C/C=C(/C=C/C(=O)OCCCC1(C#N)CCOCC1)CC 800185673 LCYPOJUUYPFPJJ-PIVMFZEJSA-N 291.391 3.543 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1cncc2ccccc12)C(C)C 808196513 YOHPUXAMGXMDSQ-HNNXBMFYSA-N 296.414 3.836 30 20 CHED C=CCC[C@H](NCC(C)(C)c1ccccn1)C1CC1 297163806 DAFDYRBHZKUTJD-HNNXBMFYSA-N 258.409 3.694 30 20 CHED CCOc1ccccc1[C@@H](CC)N[C@H](C)CCC#N 299727283 VEMKRWMWHDLQKY-UKRRQHHQSA-N 260.381 3.818 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)nn1 806572036 UGFLCSMBAVYAJX-GQCTYLIASA-N 293.729 3.548 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cc(Cl)ccc1SC 806231825 UEEDRDPGJFOAJN-JTQLQIEISA-N 282.796 3.595 30 20 CHED C=CCOc1ccc(CN[C@H]2[C@@H]3c4ccccc4C[C@H]32)cc1 568447609 YWYXYGAYBQIXPH-VAMGGRTRSA-N 291.394 3.679 30 20 CHED CC#CCN(C)C(=O)CCCc1csc2ccccc12 565678767 REFJZTTXTSCHFK-UHFFFAOYSA-N 285.412 3.706 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccc(C)c(C)n2)cc1 298899888 NOLHUBXQRDYRCY-UHFFFAOYSA-N 293.370 3.567 30 20 CHED C#Cc1ccc(CNc2cc(C#N)ccc2OC(C)C)cc1 809636048 OIHSUWNNXZTCRR-UHFFFAOYSA-N 290.366 3.939 30 20 CHED CCCCN(CCO[C@H](C)C#N)[C@@H](C)c1ccccc1 801913846 OJKGNNVJWIACRC-CVEARBPZSA-N 274.408 3.778 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2nccnc2C2CCC2)o1 807991790 RZWYRILYQRXOPV-RISCZKNCSA-N 296.374 3.907 30 20 CHED C=CCCCCCCN[C@H](c1nnc[nH]1)c1cccs1 294526075 ZPPDGVLBYFFEGS-AWEZNQCLSA-N 290.436 3.682 30 20 CHED Cc1cccc2c1OC[C@@H](N[C@@H](C)c1cccc(C#N)c1)C2 568920797 VRDCXLNDHBYANU-KSSFIOAISA-N 292.382 3.521 30 20 CHED CC(C)(C)C[C@H](NC(=O)CCCC#N)c1ccccc1 292350437 BXJJTUWYOQDEMI-HNNXBMFYSA-N 272.392 3.974 30 20 CHED C#C[C@H](Nc1ncc(Cl)cn1)c1ccc(Cl)cc1F 804807217 BGJZYVVOALSJKF-LBPRGKRZSA-N 296.132 3.709 30 20 CHED C#Cc1ccc(CN2CCC(OCCC(C)C)CC2)cc1 809550359 RIUIJEGHUYDBIN-UHFFFAOYSA-N 285.431 3.695 30 20 CHED CC(C)c1cccnc1NC(=O)CCCCCC#N 807147263 CDLDUVVIXDIVMT-UHFFFAOYSA-N 259.353 3.618 30 20 CHED CC(C)n1ccnc1SCc1ccccc1C#N 293341566 NDSNCXLZYDVVKS-UHFFFAOYSA-N 257.362 3.628 30 20 CHED C=CCOCCCN1CCC[C@@H](c2ccccc2)CC1 470778619 GPETUHJLGTYNAU-GOSISDBHSA-N 273.420 3.849 30 20 CHED CCN(CCC#N)C(=O)C1(c2ccccc2C)CCCC1 291409912 FMAJHLLFHXFIKC-UHFFFAOYSA-N 284.403 3.569 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2sccc2C)no1 568807971 WKPPZMGOUOZVFV-AWEZNQCLSA-N 278.377 3.587 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CC1(Cl)Cl 813256618 ICJCLPKHBLPACE-NSHDSACASA-N 278.223 3.823 30 20 CHED Cc1ccc(C=NNc2ccc(F)cc2Br)o1 812461553 ABXJRXFDMSLFIG-UHFFFAOYSA-N 297.127 3.936 30 20 CHED Cc1nn(-c2ccccc2)c(Cl)c1C=NOC1CCC1 812235399 FXUZYZVRUQGDCH-UHFFFAOYSA-N 289.766 3.737 30 20 CHED C=CCC(C)(C)CNCc1ccc(OC)c(COCC)c1 815141609 CQPGBOQLRGTDJC-UHFFFAOYSA-N 291.435 3.924 30 20 CHED C[C@H]1CCCC[C@H]1N1CCC(=NOC2CCC2)CC1 812236820 VPIKREFBMBQURY-XJKSGUPXSA-N 264.413 3.586 30 20 CHED FC(F)(F)c1ccc(C=NOC/C=C/Cl)cc1 811670052 MOQPRVOITFQQIM-BHJCGQKCSA-N 263.646 3.808 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2ccc(C#N)nc2)c1 579298810 UBZRDFDRCIENRO-AWEZNQCLSA-N 265.360 3.613 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN2CCC(CCC#N)CC2)o1 575989640 UTSVQLNOPLBBAQ-CZUORRHYSA-N 272.392 3.919 30 20 CHED C#CCCCNC(C)(C)c1ccc(Br)c(C)c1 810131487 ZGYPDNLDRIKKND-UHFFFAOYSA-N 294.236 3.996 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc(Cl)c(F)cc1O 816504236 FDUXRXDFYPXOQD-UHFFFAOYSA-N 298.789 3.946 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc3ccccc3c2O)C1 816568073 VNZCSHNCNORZAQ-GOSISDBHSA-N 280.371 3.671 30 20 CHED C#Cc1ccccc1CC(=O)Nc1c(C)cccc1Cl 813030723 QUXDXPOPSFYRMO-UHFFFAOYSA-N 283.758 3.811 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc2[nH]ccc2c1 811649144 CJTORBVRAJYTNF-UHFFFAOYSA-N 283.306 3.762 30 20 CHED C[C@@H](NCC1(C#N)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 578708064 UTONOAHLWHFTLT-OUAUKWLOSA-N 280.824 3.787 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1cnnc2ccccc12 814849491 XOFKWYGCGPMSGY-ZDUSSCGKSA-N 293.374 3.748 30 20 CHED C[C@@H]1CC(N[C@@H]2CCCCc3cc(C#N)ccc32)C[C@@H](C)O1 574973838 PSGONMDAXGSRIW-PJIJBLCYSA-N 298.430 3.871 30 20 CHED C#C[C@H](NC(=O)N[C@H](C)CCC)c1ccc(Cl)cc1 811853032 YEKLXYBIZSZXNK-RISCZKNCSA-N 278.783 3.502 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCCCCC1 811666720 IRFLWGSVZODKCD-CQSZACIVSA-N 260.381 3.754 30 20 CHED CCC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)C1CCCC1 819366500 QXMVGPJXQRNKGE-QZTJIDSGSA-N 286.419 3.540 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H](C(C)(C)C)CC1 488949686 TURDFNHNSVFBOU-HNNXBMFYSA-N 288.435 3.963 30 20 CHED CC1(c2ccccc2)CC(=NNc2ccc(Cl)nn2)C1 729632678 GTCNIFMVWUXDMS-UHFFFAOYSA-N 286.766 3.650 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1cc(F)ccc1F 489940883 JRHRZZVJGJOMLN-UHFFFAOYSA-N 281.346 3.616 30 20 CHED CCn1c(C)cc(C=NNc2cccc(OC)c2)c1C 728226276 LPZOBMKSOFCGOE-UHFFFAOYSA-N 271.364 3.579 30 20 CHED Cc1cc(CN[C@@H](C)c2cccc(F)c2F)ccc1C#N 488170241 PBZIVLRZHSOQLZ-LBPRGKRZSA-N 286.325 3.996 30 20 CHED C=C(Cl)CN1CCC(c2ccc(F)c(F)c2)CC1 729543250 JFVDSXUUNCXPNP-UHFFFAOYSA-N 271.738 3.897 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc2c(c1)NC(=O)CO2 823684463 WZOKJURMLYFAAK-GFCCVEGCSA-N 274.364 3.564 30 20 CHED CCn1cc(CNc2ccc(OC(C)(C)C)c(C#N)c2)cn1 824722081 NHJNOLNSGSQLIN-UHFFFAOYSA-N 298.390 3.564 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2cccc(C#N)c2)C1 493583019 YMSNRAMEXAFNRA-QWHCGFSZSA-N 256.349 3.713 30 20 CHED C[C@H](C#N)Oc1ccc(C=NOCc2ccccc2)cc1 727684405 XFCLXRDSYCFAQA-CQSZACIVSA-N 280.327 3.528 30 20 CHED COc1cc(C#N)ccc1OC[C@@]1(C)CC1(Cl)Cl 828407831 KLMLXZFHLGGJKA-GFCCVEGCSA-N 286.158 3.530 30 20 CHED C=C(Br)CNC[C@@H](C)c1cc(F)cc(F)c1 823818582 ITYQPXZSTOGACD-MRVPVSSYSA-N 290.151 3.567 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)Cc1cccc(C#N)c1 577092707 XUMUTBSIKLFTSO-UHFFFAOYSA-N 298.773 3.726 30 20 CHED C#C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1C)C(C)C 821563682 ZZXBRGCQCLUNMJ-LBPRGKRZSA-N 298.308 3.793 30 20 CHED CC1(C)CC(NC[C@H](C#N)CCC#N)CC(C)(C)C1 579463252 KTYZFVFFJQEVNL-ZDUSSCGKSA-N 261.413 3.624 30 20 CHED C=C(CNC(=O)N[C@@H]1CCCC1(C)C)c1ccccc1 499110728 KJQGQDOWWSVVDU-OAHLLOKOSA-N 272.392 3.578 30 20 CHED CCC(CC)[C@H]1C[C@H](NC(=O)CCCCCC#N)CCO1 588163205 DRHMSTGEZPCYHW-HZPDHXFCSA-N 294.439 3.560 30 20 CHED C[C@@H]1CN(c2cc(C#N)ccn2)CC[C@@H]1c1ccccc1 583951775 QEVGXCRGPFKYNC-PBHICJAKSA-N 277.371 3.583 30 20 CHED C[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1cccc(C#N)c1 585726111 UNJCRILAGXJUQR-YJYMSZOUSA-N 292.382 3.992 30 20 CHED C=CCCCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 828334294 RRUJLZNPGODUIV-HUUCEWRRSA-N 296.455 3.578 30 20 CHED C#CCN(Cc1ccncc1C)[C@H]1CCc2ccccc21 823375523 YDAJAVKTDRZCQL-IBGZPJMESA-N 276.383 3.513 30 20 CHED CC(C)n1cc([C@H](C)NCCC2(C#N)CCCCC2)cn1 582891372 LNQAOYMXXDPVQN-HNNXBMFYSA-N 288.439 3.979 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CCCC1CC1 589696874 UOQZSUOILDSXRV-UHFFFAOYSA-N 282.387 3.653 30 20 CHED CCc1ccc(CON=Cc2ccc(F)cc2)cc1 735302639 BHCUIJQVOZHXBS-UHFFFAOYSA-N 257.308 3.939 30 20 CHED CCCCC(COC)=NNc1cc(F)cc(F)c1 737430631 WXAPCQANUYDFDD-UHFFFAOYSA-N 256.296 3.569 30 20 CHED CC[C@@H](C)[C@@H](CC)OC(=O)c1ccccc1OCC#N 835587829 JOUIPPIIGOZNRP-TZMCWYRMSA-N 275.348 3.570 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccncc1 734681547 WVLGXHKZQFTCBJ-DLBZAZTESA-N 299.418 3.673 30 20 CHED COc1ccc(NC(=S)NN=C(C)C2CCCC2)cc1 733077786 LZMMLQKRVNNJTB-UHFFFAOYSA-N 291.420 3.548 30 20 CHED C=C(Cl)CN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 839531656 MONVQHCWMZKNHG-CYBMUJFWSA-N 289.810 3.803 30 20 CHED C[C@@H]1CC[C@H](C=NNc2cc(C(F)(F)F)ccn2)C1 834984649 XGYVOBUFCROEST-ZJUUUORDSA-N 271.286 3.934 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC(C2CCCC2)CC1)OCC 677310687 RFQQNMOEASUNIL-KRWDZBQOSA-N 293.451 3.787 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)CCCCCC#N)c1 588157426 QPRYQWYHCCDFGG-HNNXBMFYSA-N 272.392 3.955 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1ccccc1Cl 834995828 BSRDGUXZXBCHCQ-MRVPVSSYSA-N 264.678 3.604 30 20 CHED C(=NNc1ccc2ccccc2n1)c1ccc2c(c1)CCO2 917532319 RGPFICTUIZCICO-UHFFFAOYSA-N 289.338 3.616 30 20 CHED CCC(CC)Oc1ccc(C(=O)O[C@@H](C#N)C2CC2)cc1 835196262 PUXSPLTYPRXAMM-INIZCTEOSA-N 287.359 3.713 30 20 CHED C=C(CNC(=O)[C@@H](C)c1cccc(OC)c1)c1ccccc1 672483058 PAOBOFNEWBUIOA-HNNXBMFYSA-N 295.382 3.628 30 20 CHED CCC(=NNc1ccncn1)C12CC3CC(CC(C3)C1)C2 835001792 PPWISRVYVTXSOV-UHFFFAOYSA-N 284.407 3.871 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)O[C@@H](C)C(C)(C)C#N 835245618 REAGZEUAOBQYPV-XQQFMLRXSA-N 251.370 3.684 30 20 CHED N#CC[C@@H]1CCCN(CCSc2ccc(F)cc2)C1 595612668 ZRRMKSKJTZRPKB-ZDUSSCGKSA-N 278.396 3.543 30 20 CHED C#CCC[C@@H](C)OC(=O)C[C@H](C)c1cccc(OC)c1 839037726 TZQSGCKANNTIES-UONOGXRCSA-N 274.360 3.534 30 20 CHED CC(C)OCCNc1c(C#N)cnc2c(Cl)cccc12 591931043 TZNJBTRPEQJKAN-UHFFFAOYSA-N 289.766 3.597 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CCc2cc(F)ccc21 747440044 NWDDOBJJGBLXKD-JYRVWZFOSA-N 297.285 3.946 30 20 CHED C/C(=C\C(=O)N(CCC#N)C(C)C)c1cccc(Cl)c1 749932590 CEWSBKKCBLJDIM-JLHYYAGUSA-N 290.794 3.894 30 20 CHED C[C@H](NC(=O)CCCCCC#N)[C@@H]1CCC[C@@H](C)C1 590888726 SUGYZGIZEMGMLM-QLFBSQMISA-N 264.413 3.791 30 20 CHED CCCCN(CCc1ccc(C#N)cc1)CC(F)(F)F 595312334 JOKPTYSPLWDVOV-UHFFFAOYSA-N 284.325 3.765 30 20 CHED Oc1cccc(/C=N\Cc2c(F)cccc2Cl)c1O 745625102 SCHJYZKPBGOUKY-IDUWFGFVSA-N 279.698 3.509 30 20 CHED Cc1nc(-c2cccc(C(=O)O[C@H](C)CC#N)c2)cs1 744135356 KHDHLGODEAUZBS-SNVBAGLBSA-N 286.356 3.578 30 20 CHED N#CC[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 596328548 HGUBGPQJNFEADN-LLVKDONJSA-N 293.292 3.707 30 20 CHED CCO[C@@H]1CC(=NNCc2ccccc2)C12CCCC2 743428241 QIIMACXGPYXMIG-MRXNPFEDSA-N 272.392 3.501 30 20 CHED CC(C)c1[nH]ccc1C(=O)OCC(C)(C)CCC#N 845554932 LVXUZEDBLZUVNW-UHFFFAOYSA-N 262.353 3.625 30 20 CHED C#CCN(C(=O)N[C@@H](C)C[C@H](C)CC)C1CCCCC1 745888486 OHMQLQWCZNBOMG-CABCVRRESA-N 278.440 3.789 30 20 CHED C=C(C)CNC(=S)N1CCCC2(CCCCCC2)C1 743017497 LILPCBWGWRDZNS-UHFFFAOYSA-N 280.481 3.873 30 20 CHED CCN(CC)c1ncc(C=NNc2ccc(C)cc2)s1 916250257 RSCMWRWLMSUHLU-UHFFFAOYSA-N 288.420 3.744 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 743537940 DVCPRWLDAHWMHY-FLIBITNWSA-N 297.310 3.890 30 20 CHED CCCCCCCC(=O)OCC(=O)N1CCCC[C@@H]1CC 919223057 NKILVSHLDDSCRI-HNNXBMFYSA-N 297.439 3.681 30 20 CHED CN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccc(C#N)nc1 593275355 GFPKSGWWZWZBFY-KBRIMQKVSA-N 297.402 3.523 30 20 CHED CCOc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1 749744967 CTOLXZLHSHTBDK-CXUHLZMHSA-N 284.286 3.841 30 20 CHED CC[C@](C)(NC(=O)CC1(C#N)CCCCC1)C(F)(F)F 598815663 NXRZHSXFFHUYFH-LBPRGKRZSA-N 290.329 3.698 30 20 CHED CC(C)Oc1ccc(C=NNc2ccccc2)cc1 915933096 LXGKNALWAOSDAP-UHFFFAOYSA-N 254.333 3.920 30 20 CHED CCCCCCCC(=O)N1CCC([C@H]2NCC2(C)C)CC1 842513707 QGFUPVQEEPKMNZ-QGZVFWFLSA-N 294.483 3.584 30 20 CHED CCCn1nccc1CNc1cc(C#N)ccc1OC(C)C 594946417 PEWWJDYNYICATO-UHFFFAOYSA-N 298.390 3.564 30 20 CHED C[C@@H](OC(=O)c1cc(Cl)ccn1)c1ccc(C#N)cc1 748679731 MVZWJNASJMYIGC-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C#C[C@@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccccc1 843642755 YDODWGPIBIQPNI-GGPKGHCWSA-N 289.378 3.671 30 20 CHED Cc1cc(C#N)ccc1NC[C@@H]1CCOC2(CCC2)C1 846756651 YMZXIZIIGMMTHZ-OAHLLOKOSA-N 270.376 3.628 30 20 CHED N#CC1(CCCCOC(=O)/C=C\c2cccnc2)CCC1 910180739 YALZDOFTHJJYFV-SREVYHEPSA-N 284.359 3.502 30 20 CHED CC(=NN=C1CCC(c2ccccc2)CC1)c1cnccn1 745206736 PBEYIWCYTXEYPX-UHFFFAOYSA-N 292.386 3.999 30 20 CHED CCc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 593622608 ZGEQEEKNNNQUER-LJQANCHMSA-N 276.383 3.898 30 20 CHED C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)[C@H](C)[C@@H]1C 841889356 CHENXNKGPQMKAX-BZUAXINKSA-N 285.435 3.513 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@](C)(C#N)C2)cc1C 597498986 KPPQKMIZRXJJHA-SCTDSRPQSA-N 296.414 3.559 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)c(C)c1 849242265 BYVNLOLIULKQKP-SOFGYWHQSA-N 280.371 3.806 30 20 CHED C=C[C@@H](C)ONC(=O)CCC[C@H](C)c1cccc(OC)c1 846555964 WAFKUIHDHQFSIY-UONOGXRCSA-N 291.391 3.591 30 20 CHED Clc1cccc([C@@H]2CCC(=NN[C@H]3CCCOC3)C2)c1 841637840 LANQKVGWWSSOIV-CJNGLKHVSA-N 292.810 3.732 30 20 CHED C#C[C@@H](NC(=O)C1(c2cccc(C)c2)CC1)c1ccccc1 843638244 JNPANSPVEKMKMR-GOSISDBHSA-N 289.378 3.517 30 20 CHED FC(F)(F)c1cccnc1NN=C1CCC[C@@H]2C[C@H]12 841618980 ZGLBKUDDXJNYRJ-BDAKNGLRSA-N 269.270 3.688 30 20 CHED C#CCCSc1ncnc2sc3c(c12)CCCC3 751750420 PJUPBRXABNCLGA-UHFFFAOYSA-N 274.414 3.686 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2cccc(F)c2F)c1 757466889 AGSJMXGEPJQCKB-ALCCZGGFSA-N 290.265 3.575 30 20 CHED CCc1nn(C)c(Cl)c1C=NNc1ccc(F)cc1C 750938906 QDQPRKQLMOEPGU-UHFFFAOYSA-N 294.761 3.529 30 20 CHED C#CC[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)C1)c1ccccc1 757009131 ABMJBJMSPFQOGJ-OIISXLGYSA-N 284.403 3.629 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C1/CC[C@@H](C)C1 753582986 VYTHYOYQQOEPGM-WIZMWCRPSA-N 269.388 3.948 30 20 CHED COc1ccnc([C@H](C)N[C@H](CCC#N)c2ccccc2)c1 925602728 XGHXYNWBLSFFBM-WMLDXEAASA-N 295.386 3.786 30 20 CHED C#CC[C@H](NC(=O)c1csc(C2CC2)n1)c1ccccc1 757604413 JWMCAPONYHEIBH-AWEZNQCLSA-N 296.395 3.515 30 20 CHED C#CC[C@H](NC(=O)c1cc2ccsc2[nH]1)c1ccccc1 757598915 LGLRCSRFNNGKND-AWEZNQCLSA-N 294.379 3.724 30 20 CHED FC(F)CON=Cc1cc(Cl)ccc1OC(F)F 758911457 PKABDLNPNOTAGY-UHFFFAOYSA-N 285.624 3.557 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1ccccc1Cl 920723562 XKPBHOAFXZWQOI-NSHDSACASA-N 268.740 3.537 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(CSC)CC1 921817263 RRYABZZABJGLBL-CYBMUJFWSA-N 284.469 3.516 30 20 CHED Cc1cnc(F)cc1-c1cc(C#N)cc(N2CCCC2)c1 854189422 TWRXEEAEPWZEIZ-UHFFFAOYSA-N 281.334 3.668 30 20 CHED N#Cc1ccccc1C=NNc1nc2ccccc2s1 755463451 CJOFDIOETCAUOY-UHFFFAOYSA-N 278.340 3.614 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1nc(C)c(-c2ccccc2)s1 752972409 BLXCFBGMZPXBHG-ZDUSSCGKSA-N 299.399 3.652 30 20 CHED CN(C)c1ccc(/C=C2/CCCC(C)(C)C2=O)cc1 757535393 SCUJXMZCEJVXOX-OWBHPGMISA-N 257.377 3.915 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNC1CCOCC1 757589140 DGKLWAHGOOJKTG-CQSZACIVSA-N 252.402 3.513 30 20 CHED Clc1cccc(SCCON=C2CCC2)c1 853669079 DJEGMMNDLJCRBK-UHFFFAOYSA-N 255.770 3.989 30 20 CHED C#CC[C@H](Nc1nnc(C(F)F)s1)c1ccccc1 756957514 SZWIHSIFACQUFK-JTQLQIEISA-N 279.315 3.652 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1 755602408 DLNQJCIIRFYHOO-WOSRLPQWSA-N 270.376 3.614 30 20 CHED C[C@@H](c1cccc(Br)c1)N1CCC[C@@H](C#N)C1 932157030 ARMWHMUPESPHTK-RYUDHWBXSA-N 293.208 3.746 30 20 CHED CCCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 862355034 IVZZYWNIVCQSMQ-DLBZAZTESA-N 284.403 3.748 30 20 CHED CCCCC=NNc1ccc(Cl)c(C(=O)O)c1 864358113 JUXOPYXPWLCXKC-UHFFFAOYSA-N 254.717 3.626 30 20 CHED N#Cc1ccc(CNN=CC2CCCCCC2)cc1 769816436 UFBOQQYCLLJGSH-UHFFFAOYSA-N 255.365 3.604 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc(C#N)cc1F 769744678 PBVHYQIXLIYDNU-PLNGDYQASA-N 287.315 3.664 30 20 CHED C#CCCCCCC(=O)N([C@@H](C)CC)[C@H](C)CC 767514093 IDLRYVIGHQKQIW-GASCZTMLSA-N 251.414 3.996 30 20 CHED CC1(C)C(=NNCCN2CCCCC2)C[C@@H]1c1ccccc1 768481990 GLAABWYHMSWCCZ-QGZVFWFLSA-N 299.462 3.632 30 20 CHED COC(=O)c1coc(C(=O)/C=C/C(C)=C/c2ccccc2)c1 766503099 UENJUKZMPSXODP-PEGOPYGQSA-N 296.322 3.909 30 20 CHED N#CC1(C(=O)N[C@H]2CCc3ccc(Cl)cc32)CCCC1 863639536 SXCFSQCDCHINDS-AWEZNQCLSA-N 288.778 3.527 30 20 CHED Clc1ccc(C#CCN[C@H](c2ccncc2)C2CC2)cc1 934692421 OHIAYYSQZLBHFM-SFHVURJKSA-N 296.801 3.827 30 20 CHED CC/C=C\CCOC(=O)CSc1ccc(C#N)cc1 767533428 FDWBGLMVFWNNQL-ARJAWSKDSA-N 275.373 3.550 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CC(C)(C)C[C@@H]2C)o1 766014396 SXXPIJUBYVLPHR-NSHDSACASA-N 288.395 3.969 30 20 CHED C=C1CN(C(=O)Nc2cc(Cl)c(C)cc2Cl)C1 930507072 CCWIMWOYMJGQOP-UHFFFAOYSA-N 271.147 3.706 30 20 CHED C#CCCc1noc(COc2cc(Cl)ccc2Cl)n1 762009283 MYJTXMAEHLWFJB-UHFFFAOYSA-N 297.141 3.521 30 20 CHED C[C@H](c1ccc(Br)cc1)N1CCC[C@@H](C#N)C1 932155009 VCSSDBBOWRXPRT-NEPJUHHUSA-N 293.208 3.746 30 20 CHED C#CCCN(C)[C@H](C)c1cccc(C(F)(F)F)c1 760821613 VRQBYKTWKCNDLE-LLVKDONJSA-N 255.283 3.722 30 20 CHED Brc1cc(NN=C2CCCCCC2)ccn1 769805653 QURBWGPRUZAJSP-UHFFFAOYSA-N 282.185 3.966 30 20 CHED C=C(C)COCCNC(=O)c1ccc([C@H](C)CC)cc1 762190857 PNPBKVBBHOEZOI-CQSZACIVSA-N 275.392 3.523 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F 863390787 BRTFFALTYLJRIO-GOEBONIOSA-N 291.341 3.521 30 20 CHED Cc1ccc(COC(=O)/C=C\c2ccccc2C#N)cc1F 766284842 QWCSRKOLLTWGEI-HJWRWDBZSA-N 295.313 3.762 30 20 CHED CC[C@@](C)(CNc1c(Br)cccc1C#N)OC 1163347289 WHIOLLBUQBUAIG-ZDUSSCGKSA-N 297.196 3.548 30 20 CHED C#CCOc1ccc([C@@H](C)NC(C2CC2)C2CC2)cc1 765351614 RAXZFPOXUQZTPD-CYBMUJFWSA-N 269.388 3.538 30 20 CHED Cc1cccc(F)c1NN=Cc1cc(F)c(F)cc1F 769840762 NVSLYZVPNQMXTP-UHFFFAOYSA-N 282.240 3.997 30 20 CHED CCCCCCCCC(=O)NC[C@H](O)c1cccc(C)c1 768309379 AUBRFEBYNLNJBU-KRWDZBQOSA-N 291.435 3.895 30 20 CHED C[C@@H](CC#N)OC(=O)c1cc(Cl)cc(Cl)c1F 870204155 BQIJDWGKUZITST-LURJTMIESA-N 276.094 3.591 30 20 CHED C#CCCCCC(=O)NCCC(C)(C)c1ccccc1 773281513 HWSPQESHKDYNFB-UHFFFAOYSA-N 271.404 3.664 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H](C)c2ccncc2CC)c1 773147409 FRQZVRAKJPBQOK-RQZLXBNYSA-N 298.386 3.928 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnc2c(cnn2C(C)C)c1 878073776 COTQQBSTBZABLF-UHFFFAOYSA-N 286.379 3.553 30 20 CHED Fc1ccc(N2CCC(=NOC3CCCC3)CC2)c(F)c1 774597694 VNUHMKCMEFPMHI-UHFFFAOYSA-N 294.345 3.880 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@@H]1c1ccccc1 773084978 AGFXYVLWVNERMF-CQSZACIVSA-N 280.375 3.946 30 20 CHED CO[C@H]1CCCCC1=NN[C@H](Cc1ccccc1)C(C)C 777447858 KELSQGZQWPFHMQ-MSOLQXFVSA-N 288.435 3.788 30 20 CHED Fc1ccc(C=NNc2cccc(C(F)(F)F)c2)cn1 777418607 NSBJATZDWHEZOX-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1(C)C 888364571 GJBSPCGNZCWEGS-LLVKDONJSA-N 289.354 3.597 30 20 CHED Cc1ncc(C=NN[C@@H](Cc2ccccc2)C(C)C)s1 777449754 YUQQVJPRCNSSLY-INIZCTEOSA-N 287.432 3.642 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccc(F)cn1 770606471 MKYFKZCHNGZFFI-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C[C@@H]1CC(=NOCc2ccc(C(F)(F)F)cc2)CCO1 773208747 ODRGLVFDAMSMFN-SNVBAGLBSA-N 287.281 3.777 30 20 CHED C=C(CC)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 1123811199 QSZFWXPPCGDSJF-CYBMUJFWSA-N 277.339 3.510 30 20 CHED Clc1ccnc(NN=C/C=C/c2ccccc2)c1 777906074 SDEHHYHJPVIKKR-FHDCMQJJSA-N 257.724 3.846 30 20 CHED N#Cc1ccc(COC(=O)/C=C\c2ccccc2)c(Cl)c1 784186961 LWTZAHPZHJFHPI-CLFYSBASSA-N 297.741 3.968 30 20 CHED Cc1ccccc1C1CC(=NNc2ccnc(F)c2)C1 781133634 ZBMJSPWVANOJKQ-UHFFFAOYSA-N 269.323 3.875 30 20 CHED COC(=O)c1ccccc1NN=C[C@@H]1CCCC[C@@H]1C 783860247 XFHCEZSCPVNMIM-STQMWFEESA-N 274.364 3.697 30 20 CHED CCCCC1CCC(C(=O)[C@@H](C#N)c2nccn2C)CC1 1122517608 FZOCOIGXCVOKHC-YMAMQOFZSA-N 287.407 3.593 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2ncncc2Cl)C1 780280781 TZEDLJGBUFVFGT-WDEREUQCSA-N 266.776 3.744 30 20 CHED CS[C@H](CNc1snc(Cl)c1C#N)C(C)(C)C 784174219 MSXPBLRANRLVFD-MRVPVSSYSA-N 289.857 3.858 30 20 CHED N#CC[C@H](OC(=O)C(C1CCC1)C1CCC1)c1ccco1 1123369725 OPHVQAVDANIBRM-HNNXBMFYSA-N 287.359 3.994 30 20 CHED C[C@H](N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc(C#N)c1 785530120 NBXJHVYPVWHXQN-JBBXEZCESA-N 280.346 3.904 30 20 CHED C#CC[C@H](NC(=O)N1C[C@H](C)CC(C)(C)C1)c1ccccc1 784397621 OIWKNVDBRIZVRC-WBVHZDCISA-N 298.430 3.829 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)c1cc(C#N)[nH]c1C 1137995899 SFOQQDJAFBQWJW-UHFFFAOYSA-N 287.750 3.717 30 20 CHED N#CC1(C(=O)Oc2ccc3cnccc3c2)CCCCC1 894446511 VEIQDTBUSYDTMR-UHFFFAOYSA-N 280.327 3.614 30 20 CHED CSc1cccc(COC(=O)c2ccc(C#N)s2)c1 797043027 KIFXTAGGSBHOAU-UHFFFAOYSA-N 289.381 3.699 30 20 CHED Cc1ccoc1C/N=C\c1cc(Br)ccc1O 793653864 IZFLMMMVBOLORS-CHHVJCJISA-N 294.148 3.675 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1ccc(F)c(F)c1 794935312 XVQORYLWHPWIAR-XQRVVYSFSA-N 276.286 3.638 30 20 CHED FC(F)(F)c1cc(C=NNc2cccc(Cl)c2)[nH]n1 799465954 SOFJTWDLPQQBGN-UHFFFAOYSA-N 288.660 3.528 30 20 CHED CCN(Cc1ccccc1)C(=O)c1ccc(C)c(C#N)c1 799293406 KFJRPAIGBPNIQN-UHFFFAOYSA-N 278.355 3.529 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC(C)(c2ccccc2)CC1 791065701 WJLOWWFWAWVPNA-QGZVFWFLSA-N 298.430 3.552 30 20 CHED CC1(CNN=Cc2cccc3cccnc23)CCCC1 793084286 JSUGRLANYHHUFO-UHFFFAOYSA-N 267.376 3.739 30 20 CHED C[C@H](NN=Cc1cc(F)cc2cccnc12)C(C)(C)C 793115258 QIXBILXNFGLVRX-NSHDSACASA-N 273.355 3.732 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2cccnc2)c(Cl)c1 891611813 CEEPDTNNDTUIKE-HNNXBMFYSA-N 283.762 3.948 30 20 CHED N#CC[C@@H](CC(=O)OC1CCCCC1)c1ccccc1 796507093 OXNDQPBRYMHHGK-HNNXBMFYSA-N 271.360 3.950 30 20 CHED C#CCCCOc1cccc(F)c1C(=O)OCCCC 794727573 FNHZHSFBFSBUPH-UHFFFAOYSA-N 278.323 3.575 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)c1nc(C)no1 792178347 ZLMGSWNKALUIED-VXGBXAGGSA-N 253.390 3.778 30 20 CHED C=CCCCCN(CCCC(=O)O)Cc1ccccc1 1776173751 QQMNGNLPRWMAJS-UHFFFAOYSA-N 275.392 3.710 30 20 CHED C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)C1CCC1 1153624950 XHXUZVGAVAWDKK-MRVPVSSYSA-N 297.185 3.783 30 20 CHED CC(C)(C=NNc1cncc(Br)c1)CCC#N 1319517240 HRZAKYGSWROXEX-UHFFFAOYSA-N 295.184 3.572 30 20 CHED N#Cc1cc(CNc2c(F)cccc2F)ccc1F 83451463 HSYDDFBIZHKOPI-UHFFFAOYSA-N 262.234 3.588 30 20 CHED Cc1ccc(-c2n[nH]cc2C=NOC(C)(C)C)cc1 1323132444 OUIFJRQEKJUYEY-UHFFFAOYSA-N 257.337 3.534 30 20 CHED CC[C@H](C#N)NC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1325568045 RLMMZRWEYZCUOW-MRXNPFEDSA-N 284.403 3.650 30 20 CHED CCCCCCCCCC(=O)N1CC[C@](CO)(C(C)C)C1 1327577141 SMCXOVCZHYAXIN-SFHVURJKSA-N 297.483 3.994 30 20 CHED N#CCCN(Cc1sccc1Cl)CC1CC1 194379912 XCRMAQDUPRRZCI-UHFFFAOYSA-N 254.786 3.527 30 20 CHED N#Cc1ccc(N[C@H]2CCOC3(CCC3)C2)cc1Cl 94367255 KNKDIQNGMMQEGQ-ZDUSSCGKSA-N 276.767 3.725 30 20 CHED CCC1(CC)CCN(Cc2ccc(C#N)cc2F)C1 94802969 IXHKNGZFIZJYSS-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C#Cc1cccc(NCc2cc(OC)ccc2Cl)c1 790521953 SMSRGAABTUIEDJ-UHFFFAOYSA-N 271.747 3.942 30 20 CHED COC[C@H](Nc1ccc(F)cc1C#N)c1ccc(F)cc1 1336405285 DVRHCADWGPZAFQ-INIZCTEOSA-N 288.297 3.636 30 20 CHED N#Cc1ccccc1NC(=O)Cc1ccc(F)c(Cl)c1 1348049294 WBFZPMNKVCVPNI-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C=CCC[C@H](C(=O)OCc1conc1C)c1ccccc1 1346758087 QRVBRXJRJACDKY-INIZCTEOSA-N 285.343 3.776 30 20 CHED CC(=NNc1ccn(C)n1)c1ccc(C(C)(C)C)cc1 1343529170 JFTHPOXSEZSJLG-UHFFFAOYSA-N 270.380 3.554 30 20 CHED C=C(CC)C(=O)Nc1ccc(F)cc1OC(C)(C)C 1347103355 WOENGPQUKMJLDM-UHFFFAOYSA-N 265.328 3.908 30 20 CHED N#C[C@@H](OC(=O)c1ccc(-c2cccs2)s1)C1CC1 1344023345 SHRBYIJAQBUQQZ-SNVBAGLBSA-N 289.381 3.936 30 20 CHED C=C(C)CCNC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 1344459460 JFBVBGMVIUBFCQ-UHFFFAOYSA-N 298.390 3.577 30 20 CHED C=C(C)CCC(=O)Nc1c(F)cccc1N1CCCC1 1357901517 UIKNOBHCFUEIDO-UHFFFAOYSA-N 276.355 3.721 30 20 CHED C[C@H]1CCC[C@@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 1435509207 YHWVKYGLFXPWFS-WOSRLPQWSA-N 271.360 3.989 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1scnc1Cl 1461547672 HQQNNCPAJFWPKG-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C=CCC(C)(C)CN[C@H](CC)c1ccc(-c2nn[nH]n2)cc1 1602808407 DCGBCHQLSVRSGA-OAHLLOKOSA-N 299.422 3.510 30 20 CHED Cn1c(CNc2cc(F)cc(C#N)c2)cc2ccccc21 1461694444 XZLMDKVPJNHBHQ-UHFFFAOYSA-N 279.318 3.801 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1nc2ccsc2s1 1530292195 TVIJGOVLFMNSDD-UHFFFAOYSA-N 299.380 3.790 30 20 CHED CCc1nc(C#N)cc(NCC(C)(C)c2ccccc2C)n1 1611916985 COVOCHJRSXLRPQ-UHFFFAOYSA-N 294.402 3.609 30 20 CHED C[C@@H](CCNc1ncc(C#N)cc1F)CC(C)(C)C 1472758362 NBBPMBJZAZNVIE-NSHDSACASA-N 263.360 3.967 30 20 CHED CCN(CCC#N)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 1543457557 HTBLNSSZJVYLQA-RYUDHWBXSA-N 290.329 3.507 30 20 CHED COc1cc(C#N)ccc1CN1CCCCc2sccc21 1617576271 KVTIJGBXTOQYIK-UHFFFAOYSA-N 298.411 3.971 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1ccc(C#N)cc1 1557530809 WUJFYBBJEZCRTK-UHFFFAOYSA-N 279.343 3.631 30 20 CHED CC(C)c1cccc2c1CCN(Cc1cc(C#N)ccn1)C2 1642963123 AKASGXYIWUXUIZ-UHFFFAOYSA-N 291.398 3.635 30 20 CHED CC(C)(C)[C@H]1CCCN(CCOc2ccccc2C#N)C1 1645418081 UGIGUAMCOAMWOL-INIZCTEOSA-N 286.419 3.695 30 20 CHED CC[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F 1642715996 BVJKXMXEXPBSCR-TZMCWYRMSA-N 294.345 3.828 30 20 CHED CC(C)(C)[C@H](N=c1cc[nH]c(C#N)c1)c1ccccc1 1655276269 MKNAIFPSTWVULC-MRXNPFEDSA-N 265.360 3.574 30 20 CHED Cc1cc(CCNc2ccc(C#N)c(C)n2)ccc1Cl 1651881742 KOSZPUIWHIIMEP-UHFFFAOYSA-N 285.778 3.878 30 20 CHED C[C@@]1(Cc2ccc(F)cc2)CCCN1c1cccc(C#N)n1 1655589040 OHICBLQVAHMDED-SFHVURJKSA-N 295.361 3.694 30 20 CHED N#Cc1nc(NCC(F)(F)c2ccccc2)sc1Cl 1651909852 RWYJPPCIYWQXDF-UHFFFAOYSA-N 299.733 3.872 30 20 CHED Cc1cccc(C[C@H](C)Nc2cccc(C#N)c2)c1 1664114079 DGRIXPSJKRTPJN-AWEZNQCLSA-N 250.345 3.910 30 20 CHED N#Cc1c[nH]nc1NCc1ccc(-c2cccc(F)c2)s1 1662409285 LVOOQECSRHOKPT-UHFFFAOYSA-N 298.346 3.761 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(/C=C\C(=O)O)o1 1777477219 KFPNLKISGBWVMC-GUBXDBFYSA-N 288.324 3.643 30 20 CHED N#Cc1ccc(NCC2(CO)CCCC2)cc1C(F)(F)F 160183769 PKBBRNMLBZVGBT-UHFFFAOYSA-N 298.308 3.542 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(OC(C)C)cc1 163365421 ZALIIISLMCQDST-GFCCVEGCSA-N 253.773 3.877 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 151026791 LZRABPVYYIOPMR-WMLDXEAASA-N 269.388 3.974 30 20 CHED CC(C)Oc1ccc(NCc2ccc(C#N)cc2)cc1C#N 151990041 NCGOPTYKUMTHHL-UHFFFAOYSA-N 291.354 3.829 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)CCOC)cc1 152771036 BFSVRISNNQIBBY-KGLIPLIRSA-N 297.826 3.894 30 20 CHED C=C[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 153688108 XVMIFOPZQYQXIQ-HNNXBMFYSA-N 292.382 3.801 30 20 CHED C=CC[C@H](C)NC(=O)CCC(C)(C)c1ccccc1 155169192 WVUKDGAQPCFEST-AWEZNQCLSA-N 259.393 3.825 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cc(O)ccc1[N+](=O)[O-] 157218716 DDBCXOHLILDDQC-RMKNXTFCSA-N 283.283 3.505 30 20 CHED C#CCCCCNC(=O)[C@@H](C)c1ccc2ccccc2c1 156311708 UEGKVMZJLDNOIU-HNNXBMFYSA-N 279.383 3.863 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc(OCC(F)F)cc3)nc2c1 154232956 NLGRFCVDKGBGOK-UHFFFAOYSA-N 299.280 3.745 30 20 CHED COc1ccc(C[C@@H](C)CNCc2cccc(C#N)c2)cc1 157898025 RUGZUJKJUGQHPC-OAHLLOKOSA-N 294.398 3.535 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)c(Cl)c1 154270340 RXPOVJPDPLRKMU-ABAIWWIYSA-N 290.794 3.862 30 20 CHED CCOc1ccc(OCc2ccccc2C#N)cc1 11834171 VKTFPSHLMUKIBN-UHFFFAOYSA-N 253.301 3.536 30 20 CHED CCCCCCCNC(=O)Nc1ccc(CC#N)cc1 860352365 DYGDOGCCKPKDOK-UHFFFAOYSA-N 273.380 3.845 30 20 CHED N#CCN(C(=O)CCc1ccccc1Cl)C1CCCC1 125233944 FAIQBKCUIBDIQK-UHFFFAOYSA-N 290.794 3.567 30 20 CHED COc1cc(CNc2ccc(C)c(F)c2)ccc1C#N 234902976 AEYALAKDOBVZOE-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1ccccc1C#N 42267799 DUGOZQNGBKZAGF-UHFFFAOYSA-N 270.763 3.844 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1C=CCCC1 187264765 HAEYTBAMUYPXEQ-CYBMUJFWSA-N 254.333 3.552 30 20 CHED C=CCCCN1CCC([C@H](O)c2ccc(F)cc2)CC1 304202136 ARLSQEIHFSCBOK-QGZVFWFLSA-N 277.383 3.537 30 20 CHED N#Cc1sc(Sc2ccccc2)nc1Cl 306719438 KQVXRBCKEUEIRS-UHFFFAOYSA-N 252.751 3.819 30 20 CHED CCc1ccc(Oc2ccc(C#N)c(C)n2)c(OC)c1 312241566 CNIUNZXUQFNIDP-UHFFFAOYSA-N 268.316 3.625 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCC1 610519584 ASXSGBLUDCGTDX-JTQLQIEISA-N 276.767 3.976 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc2ccsc12 335745669 SYGCOIHHAMNHLA-CQSZACIVSA-N 258.346 3.780 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC1CC(C)(C)CC(C)(C)C1 710862072 RLVXCXZVXHEAQS-KRWDZBQOSA-N 278.440 3.895 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(Cl)cc(C(=O)O)c1 393752076 WOCDIGFVQOQPRV-NSHDSACASA-N 296.754 3.514 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccccc2c(Cl)n1 393818857 KNNMMOGTWOOWLL-LBPRGKRZSA-N 288.778 3.973 30 20 CHED C=CCN(C(=O)c1ccccc1)c1nc2c(s1)CCCC2 574076 FPBZGBGAIVUOGW-UHFFFAOYSA-N 298.411 3.855 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)OCc2cccc(C#N)c2)C1(C)C 5159070 NGTRBEQCNBMLRY-CVEARBPZSA-N 283.371 3.840 30 20 CHED O=C1/C(=C/c2cccc(O)c2)CSc2ccc(F)cc21 7713554 RRMUYUGKQMDDQV-IZZDOVSWSA-N 286.327 3.903 30 20 CHED Cc1ccc(NC(=S)NN=C2CCCC[C@@H]2C)cc1 13144531 OZBSRQUCTJBHSD-LBPRGKRZSA-N 275.421 3.848 30 20 CHED C=C(Cl)CSc1nnc(NCc2ccco2)s1 14303415 ZPBOJWMYNDUFSK-UHFFFAOYSA-N 287.797 3.588 30 20 CHED C[C@H]1CC(=O)c2c(OCc3ccccc3C#N)ccc(F)c21 15396498 HXUZYERRJOWAML-NSHDSACASA-N 295.313 3.966 30 20 CHED CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(C#N)c1 22533336 ZMXUWEIGZPVUBP-OAHLLOKOSA-N 296.395 3.769 30 20 CHED N#CCOc1ccc(N[C@@H]2CCc3ccccc3C2)cc1 37228569 WSNLIRFUHIJXGQ-QGZVFWFLSA-N 278.355 3.558 30 20 CHED C=CCOc1ccccc1CNC(C1CC1)C1CC1 37230132 ZLQMMDIPTGMCLD-UHFFFAOYSA-N 257.377 3.530 30 20 CHED N#Cc1ccccc1CNc1ccc(OC(F)F)cc1 37326311 WWOBRZHHUAXJFZ-UHFFFAOYSA-N 274.270 3.772 30 20 CHED C=CCN(C(=O)c1cc2ccccc2c(Cl)n1)C(C)C 37987721 IVCIRQZNIOANFB-UHFFFAOYSA-N 288.778 3.925 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)sc1C 41547125 WVLJIKAYQGLCMS-LLVKDONJSA-N 296.351 3.996 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccccc2Cl)c1 41654464 YAEWOJOCHAFNKD-UHFFFAOYSA-N 270.719 3.965 30 20 CHED Cc1c(Cl)cccc1NC(=O)c1cccc(CC#N)c1 42194988 CYJTXHDIGNZZKH-UHFFFAOYSA-N 284.746 3.967 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)c(C)o1 44729769 IONSSBBPURBORB-CYBMUJFWSA-N 284.359 3.650 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(F)c(F)c1 45934566 AIPNHYAZTKDCMW-UHFFFAOYSA-N 287.309 3.793 30 20 CHED N#Cc1c(F)cccc1NCCOc1cccc(Cl)c1 49321059 JLKBCABXRUVYEP-UHFFFAOYSA-N 290.725 3.842 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CC1CCCCC1 49524620 MWDLVDXWLPWRIM-UHFFFAOYSA-N 256.349 3.776 30 20 CHED Cc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)cc1 49556825 QMCCTWHIKODHBN-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccccc1C 55891233 BXETXKKYPHWZEL-UHFFFAOYSA-N 295.382 3.832 30 20 CHED C=C(C)CN(CC)C(=O)Cc1ccc(Cl)c(Cl)c1 57157932 KTSWAIOVRLPKEL-UHFFFAOYSA-N 286.202 3.961 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cccnc2)cc1OC 57825015 RZPDHRVCZFRPNE-SOFGYWHQSA-N 297.354 3.775 30 20 CHED Cc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1 60340102 GREZWSUITANWEN-XNTDXEJSSA-N 264.324 3.913 30 20 CHED N#Cc1ccccc1OCCN1CCC2(CCCC2)CC1 62953873 BNXJSOGWZPVUAP-UHFFFAOYSA-N 284.403 3.593 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2ccc(O)cc2)cc1OC 66746373 UPCPYDSETXPDHG-RMKNXTFCSA-N 298.338 3.614 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](CC)c1cccc(Cl)c1 69343542 UTYLVRIDFSUUFV-IUODEOHRSA-N 295.810 3.889 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(C#N)cc1 72901752 XYMRGCQFHKDDHO-ZDUSSCGKSA-N 262.422 3.522 30 20 CHED N#Cc1cccnc1N[C@H]1CCSc2c(F)cccc21 73803062 GABPEYRYTUBGLN-ZDUSSCGKSA-N 285.347 3.741 30 20 CHED N#Cc1cccnc1N[C@@H]1CCSc2c(F)cccc21 73803063 GABPEYRYTUBGLN-CYBMUJFWSA-N 285.347 3.741 30 20 CHED Cc1occc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 75297794 UXSPXUNUFSGKCP-SJORKVTESA-N 294.354 3.500 30 20 CHED C=CCOc1cccc(NC(=O)NCC2(CC)CC2)c1 78511276 VYCMUAWQXBURMF-UHFFFAOYSA-N 274.364 3.563 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(F)c1 79172976 XAKIXCDYCYOVQF-GFCCVEGCSA-N 283.302 3.924 30 20 CHED N#Cc1ccc(NCCCC(F)(F)F)cc1Cl 97987396 BSUHCIJQQYRSAH-UHFFFAOYSA-N 262.662 3.966 30 20 CHED CCN(CCC#N)C(=O)[C@@H](C)Sc1ccccc1Cl 103209445 YQTIOZUWENXXBI-LLVKDONJSA-N 296.823 3.583 30 20 CHED C=CCCC(=O)NCC1(c2cccc(OC)c2)CCCC1 108216282 DUNAQBQNTMMQTO-UHFFFAOYSA-N 287.403 3.589 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)CSc1ccccc1 110195143 IXJURQFJQZZFMR-AWEZNQCLSA-N 275.417 3.615 30 20 CHED Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1C 116805751 JJLGZAUVUOFNHR-SJKOYZFVSA-N 270.376 3.506 30 20 CHED C=CCCCN1CCC(OCCc2ccccc2)CC1 117874983 KYHLKFPXJIRPQB-UHFFFAOYSA-N 273.420 3.676 30 20 CHED COc1ccc(/C=C/C(=O)c2occc2C)c(OC)c1 119019572 PBDPPMLFACSPGD-FNORWQNLSA-N 272.300 3.501 30 20 CHED C=C[C@@H](CC(=O)N(CCC)CCC)c1ccccc1 121741879 BBYVMHSRISFWOO-HNNXBMFYSA-N 259.393 3.995 30 20 CHED CCN(CC)C[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 122652943 KUNGLAQMVCGSNM-LLVKDONJSA-N 299.340 3.719 30 20 CHED C#CCCOC(=O)c1cncc(-c2ccc(Cl)cc2)c1 124707395 NHOYCPUICGQSIM-UHFFFAOYSA-N 285.730 3.582 30 20 CHED Cc1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1F 125365985 YQOOIXPATPVIRR-UHFFFAOYSA-N 299.349 3.815 30 20 CHED CCCCCCCCOC(=O)Cc1c(C)noc1C 125989808 VKMBZAUZFQWWAT-UHFFFAOYSA-N 267.369 3.738 30 20 CHED COc1ccc(C#N)cc1CN1CCC(C(C)(C)C)CC1 130452814 HDCROJVYMDQHLL-UHFFFAOYSA-N 286.419 3.825 30 20 CHED C=CCC[C@H](C)Nc1ccc(C)cc1OCCOC 130589121 VQYXWCLVSGZFIO-AWEZNQCLSA-N 263.381 3.787 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 131967598 GIKLUTHHBGRUPL-ZETCQYMHSA-N 279.598 3.979 30 20 CHED CC(C)(CCC#N)CNCCc1cc2ccccc2[nH]1 135914201 DRJZASKGRQHUJC-UHFFFAOYSA-N 269.392 3.630 30 20 CHED C=CCCOc1ccc(C(=O)c2ccccc2)cc1 138382588 RWINCPCCURQRFL-UHFFFAOYSA-N 252.313 3.873 30 20 CHED COc1ccccc1[C@@H]1CCN(c2ccc(C#N)cc2)C1 150927789 GPZUPVGUTXCPNP-OAHLLOKOSA-N 278.355 3.561 30 20 CHED C=C[C@H](C)NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 154215219 VNBWUZPTDPQUDU-KGLIPLIRSA-N 259.393 3.994 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(CCC(F)(F)F)cc1 155169539 JBUUDRLNEPIDRP-LBPRGKRZSA-N 285.265 3.640 30 20 CHED C#CCCCCNC(=O)C1(c2cccc(F)c2)CCCC1 156235175 XFSRJIKSVANYMM-UHFFFAOYSA-N 287.378 3.557 30 20 CHED C=CCN(C)C(=O)Nc1ccc(-c2csc(C)n2)cc1 156268672 BLIBTGARAIIUSF-UHFFFAOYSA-N 287.388 3.768 30 20 CHED N#CCCCN1CCC[C@H](COc2ccccc2Cl)C1 157094538 XZCRJIFILBWFHX-AWEZNQCLSA-N 292.810 3.735 30 20 CHED C=C[C@H](C)N[C@H](C)c1sccc1Br 157251106 PIDHDZFMUPKAGG-JGVFFNPUSA-N 260.200 3.736 30 20 CHED C=C(C)CNC(=O)Nc1cc(C(F)(F)F)ccc1F 157308888 DZWAXZYBMKBBHE-UHFFFAOYSA-N 276.233 3.542 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1ccc(C#N)s1 157843994 GSFNSPDJBZHGJW-JTQLQIEISA-N 262.403 3.874 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 161041857 IKAJBXYRDMJEEL-WDEREUQCSA-N 284.186 3.789 30 20 CHED C=C(C)CCNc1cc(Cl)c(OC)cc1OC 164418659 OHUDSRQEGAYXPE-UHFFFAOYSA-N 255.745 3.735 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(F)cc1F 165535330 HPGVHONQEXJJOJ-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cn1 171981634 YFLNRSVKSLLFDH-ZZXKWVIFSA-N 276.286 3.638 30 20 CHED C=CCOCCCC(=O)N(C)C1CCCCCCC1 172941760 IGRDTOONAKRIFG-UHFFFAOYSA-N 267.413 3.541 30 20 CHED C#CCCCN[C@@H](C)c1ccc2cc(OC)ccc2c1 174273775 DSEBQCCFSVJKEM-AWEZNQCLSA-N 267.372 3.912 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1nc2ccccc2[nH]1 176907635 SFRQRXAWPVTTDR-GFCCVEGCSA-N 283.375 3.509 30 20 CHED C#Cc1cccc(N(C(=O)CCc2ccoc2)C(C)C)c1 177228589 UCKNQQICPBCUJI-UHFFFAOYSA-N 281.355 3.635 30 20 CHED CCCCCCCNc1cc(C(=O)N(C)C)ccc1OC 178315912 GPFNSRPPLLRZEA-UHFFFAOYSA-N 292.423 3.779 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2C)c(C)c1 178631660 MGRIFHNZUBQUSM-UHFFFAOYSA-N 264.328 3.736 30 20 CHED N#Cc1csc(C(=O)OCCCCC(F)(F)F)c1 179251678 VLBGNYNHHOINTL-UHFFFAOYSA-N 277.267 3.509 30 20 CHED N#Cc1ccccc1SCC(=O)C1CCCCC1 179306564 LMOWARGUBZXHQH-UHFFFAOYSA-N 259.374 3.800 30 20 CHED C#CCCCCC(=O)Nc1ccc2cnn(C(C)C)c2c1 179902803 MVLNEKGZJNNXSR-UHFFFAOYSA-N 283.375 3.749 30 20 CHED C=CCCN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 180952062 KEAUQHCWGCLHKQ-NSHDSACASA-N 273.298 3.854 30 20 CHED C[C@H](C#N)CNCc1cccc(OCc2ccccc2)c1 183824561 MCDRZFMIVLGKKE-OAHLLOKOSA-N 280.371 3.515 30 20 CHED CC#CCCCC(=O)N1CCC(Nc2cccc(C)c2)CC1 184149490 BPXAMGSTVBUZIO-UHFFFAOYSA-N 298.430 3.592 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C)cn1 184230310 HNLDWXRQGQRHFY-UHFFFAOYSA-N 299.349 3.749 30 20 CHED Cc1cc(C)c(CN[C@@H]2CCC[C@H](C#N)C2)c(C)c1 185802398 PJLYFIZHNKHDLO-JKSUJKDBSA-N 256.393 3.784 30 20 CHED CC#CCCCC(=O)N1CC=C(c2cccc(C)c2)CC1 185983045 WASYQPOSLBNYGN-UHFFFAOYSA-N 281.399 3.804 30 20 CHED C=CC[C@@H](C(=O)N(C)C1CCCC1)c1ccccc1 186734551 DFBOAIFDJFNTLE-MRXNPFEDSA-N 257.377 3.747 30 20 CHED CCCCc1ccc(NCc2cc(C#N)n(C)c2)cc1 189579105 HUQSAJZIYSDOQO-UHFFFAOYSA-N 267.376 3.851 30 20 CHED Cn1ccc2cccc(NCCCC(C)(C)C#N)c21 190808017 CALUMOLMXCXTQP-UHFFFAOYSA-N 255.365 3.920 30 20 CHED CCO[C@H](C)c1nc(CSCCCC#N)cs1 190950569 JTIISDSSMXUKQW-SNVBAGLBSA-N 270.423 3.778 30 20 CHED C#CCCCC(=O)NCC1CCC(c2ccccc2)CC1 192116962 JJPUPAJPHJODRG-UHFFFAOYSA-N 283.415 3.880 30 20 CHED N#Cc1ccc(NCCSCc2ccccc2C#N)cc1 193388141 VJEAEDWLSWEIFF-UHFFFAOYSA-N 293.395 3.775 30 20 CHED COc1cccc2c1CC/C(=C\c1ccccc1C#N)C2=O 194593774 MQWOAJSIJDMRJI-SDNWHVSQSA-N 289.334 3.779 30 20 CHED C=C(Br)CN[C@@H](C)c1ccccc1SC 194883816 WIIRKEVBKCKAJM-JTQLQIEISA-N 286.238 3.968 30 20 CHED C=CCN(C(=O)/C=C/c1ccccc1)c1ccccc1 215736223 DBDJPTXZLUXCQV-BUHFOSPRSA-N 263.340 3.919 30 20 CHED C#C[C@@H](CC)Nc1ncc(C(F)(F)F)cc1Cl 233905103 RUHJVUOPNJJDPN-QMMMGPOBSA-N 262.662 3.578 30 20 CHED N#Cc1ccc(/C=C\c2cccc(Cl)c2F)nc1 255013463 OQDPVJJZZSOMRK-ALCCZGGFSA-N 258.683 3.916 30 20 CHED Cc1c(CON=Cc2ccccc2F)cccc1[N+](=O)[O-] 255578882 GEUVDVFXLUYJNY-UHFFFAOYSA-N 288.278 3.593 30 20 CHED C=C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 264144188 HRQMKADQAAXEDH-UHFFFAOYSA-N 270.159 3.786 30 20 CHED CCCCCCCCOCC(=O)N[C@@H](C)c1ccccn1 266102370 SUMCZPJTLUAYPT-HNNXBMFYSA-N 292.423 3.636 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H](C)c1cccc(O)c1 269607528 QMDPDZYWWDQUKS-CYBMUJFWSA-N 273.376 3.680 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1cccc(C#N)c1 271362947 IOXBKTKUPFWYLY-SCLBCKFNSA-N 298.361 3.563 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(SC)ccc1C 271987583 FRUKCENUYKLDOX-LLVKDONJSA-N 264.394 3.803 30 20 CHED C=CCCCCN[C@H](C)c1ccc(OCC#N)cc1 274420725 HAGOVMJXGWDXCK-CQSZACIVSA-N 258.365 3.596 30 20 CHED CC[C@](C)(O)CN(CCC(C)(C)C#N)Cc1ccccc1 275894994 QVPBNINCUUTMHY-SFHVURJKSA-N 288.435 3.589 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(N(C)C)cc1C 276150916 PBNULQDKYOOMED-INIZCTEOSA-N 260.381 3.602 30 20 CHED C=CC[C@H](CC)NC(=O)c1scnc1C(C)(C)C 281436550 RDGNEMMRXKWSFC-JTQLQIEISA-N 266.410 3.525 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2c(C)coc2C)cc1 284066393 VOXPOBSYQKMXNB-UHFFFAOYSA-N 282.343 3.765 30 20 CHED C=C(C)CCc1noc([C@H](CC)NC(=O)OC(C)(C)C)n1 285087043 KEPNQXFLHDNSMA-NSHDSACASA-N 295.383 3.554 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1ccc(C)o1)c1ccco1 285898006 CPJBAFVZZJFHFD-ZIAGYGMSSA-N 275.348 3.512 30 20 CHED C#Cc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 289164773 DWCWEZRODNXQEX-GOSISDBHSA-N 277.367 3.671 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)C[C@@H]1C=CCCC1 297763764 MEQLLTUOBMVHGC-CQSZACIVSA-N 280.371 3.584 30 20 CHED CCCCCCCCCC(=O)N(C)Cc1cnn(C)c1 298189169 MHWXSRWHGFCQPU-UHFFFAOYSA-N 279.428 3.519 30 20 CHED C=CCNC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 299418877 RCVVAZNRFJWFAU-SNVBAGLBSA-N 286.297 3.594 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1ncc(-c2ccccc2)o1 301861488 UAKCDCKYQZUGDI-LBPRGKRZSA-N 290.326 3.781 30 20 CHED CCc1c(C)nc2ccccc2c1NC[C@H](C)C#N 302036110 FOWFMCNSJAHUQM-LLVKDONJSA-N 253.349 3.677 30 20 CHED CC[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H](C)O1 302309158 SBFUZCQGRHRXNU-PWSUYJOCSA-N 298.308 3.581 30 20 CHED COc1cccc2c1CC[C@H]2Nc1c(C#N)cccc1C#N 302886740 NHGIBACCUQYMHW-MRXNPFEDSA-N 289.338 3.538 30 20 CHED N/C(=N/Cc1cc2ccccc2o1)NC1CCCCCC1 305747708 SVGKPEZKNKYQMR-UHFFFAOYSA-N 285.391 3.560 30 20 CHED CC(C)(CC#N)CNC(=O)c1cc2ccc(F)cc2s1 315347819 GSQDOQXNVWUFDN-UHFFFAOYSA-N 290.363 3.710 30 20 CHED CCC1(C(O)=Nc2cccc3ocnc23)CCOCC1 328901884 ZQRLISXGMGIVSE-UHFFFAOYSA-N 274.320 3.623 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc3c(c2)CCC=C3)C1 329652070 KZIFUOYDJOSQNP-LIRRHRJNSA-N 294.398 3.848 30 20 CHED CC(C)c1nnc(C/N=C(/O)C2[C@@H]3CCCC[C@@H]23)s1 329836385 VDAUZGWATKSQAU-NXEZZACHSA-N 279.409 3.554 30 20 CHED CCCc1occc1/C(O)=N/C[C@@H]1CCCO[C@H]1C(C)C 330385054 LAYWCANKGRHPRK-BBRMVZONSA-N 293.407 3.988 30 20 CHED CCCCn1ncc(N=C(O)N2CCC[C@@H](C)[C@@H]2C)c1C 330611723 QGNDRUAJPYBWMM-OLZOCXBDSA-N 292.427 3.658 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCCC2(C)C)cc1 331077404 WENRHLUQJSLETG-HNNXBMFYSA-N 284.403 3.796 30 20 CHED CC(C)c1ncsc1/C(O)=N/CC1(CCO)CCCC1 331335448 UQHWYSFYCFSTRT-UHFFFAOYSA-N 296.436 3.514 30 20 CHED Cc1cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c2ccccc2c1 334648002 ZTNBWRRCELEOBO-YVEFUNNKSA-N 264.328 3.637 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCCC[C@@H]1c1ccco1 336217132 GESITGQVEVLOBR-OAHLLOKOSA-N 297.358 3.545 30 20 CHED CCC[C@H]1CCCCN1CCCC1(C#N)CCOCC1 337206906 NKFSGCIZHPFWFF-INIZCTEOSA-N 278.440 3.742 30 20 CHED CC[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 338352306 JNHUGTYHQBAJSC-HNNXBMFYSA-N 297.333 3.970 30 20 CHED CCN(Cc1ccc(Cl)cc1)c1cccc(C#N)n1 339219236 JUGDOIAVDIQNTC-UHFFFAOYSA-N 271.751 3.633 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCCC(C)(C)C1 339364366 UDGICHRSLHYUHC-HNNXBMFYSA-N 278.440 3.991 30 20 CHED N#CCc1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)cc1 340046565 LYELLBZNKFPGHJ-MRXNPFEDSA-N 296.395 3.695 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccoc1C 341126471 MEUZYXYFZDBQMA-UHFFFAOYSA-N 273.307 3.556 30 20 CHED CC1(C)CCC(C(=O)N(C2CC2)C2(C#N)CCC2)CC1 341606739 QJGNXFHKADQTLO-UHFFFAOYSA-N 274.408 3.640 30 20 CHED C=CCCOCCCCC(=O)N(C)C1CCC(C)CC1 342607908 OTYUTUOPSVBABD-UHFFFAOYSA-N 281.440 3.787 30 20 CHED C=CCC[C@H](NC(=O)c1cnc(C2CC2)[nH]1)c1ccccc1 343420640 HLGKUAWPPLJRAY-HNNXBMFYSA-N 295.386 3.724 30 20 CHED N#CCc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1 343537329 MJJDCDOADFLMDV-IRXDYDNUSA-N 286.444 3.613 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC1CCC1)c1ccccc1 344310854 WPJPPRLRKDLFKI-AEFFLSMTSA-N 273.420 3.692 30 20 CHED CC1=C(C(=O)Nc2cc(C#N)c3ccccc3n2)CCC1 345002904 BNHDXPLQZXAFRX-UHFFFAOYSA-N 277.327 3.545 30 20 CHED N#Cc1ccccc1OCCN(Cc1ccccc1)C1CC1 345230936 HMMXPAKEOBXFOZ-UHFFFAOYSA-N 292.382 3.602 30 20 CHED C[C@@H](c1ccccc1Br)N(C)CC1(C#N)CC1 347456397 FHMPERFJJHZHSM-NSHDSACASA-N 293.208 3.746 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(-c2ccccc2)cn1 351909595 OJNKPRCLARAFBB-UHFFFAOYSA-N 279.343 3.627 30 20 CHED COc1ccccc1[C@H]1CC[C@@H](C)CN1CC1(C#N)CC1 352246181 NGDKTWIQGPFHFQ-GDBMZVCRSA-N 284.403 3.772 30 20 CHED Cc1ccccc1CN(C)C(=O)Nc1ccc(C#N)c(F)c1 353546311 FYZADXCTODTCFC-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C=CCOCC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 354707901 DCIVQSUQDIYXHN-CYBMUJFWSA-N 287.359 3.545 30 20 CHED N#CCCn1cc(C(=O)CSCC2CC2)c2ccccc21 359156742 LMBKRGCMWVRDBT-UHFFFAOYSA-N 298.411 3.881 30 20 CHED CN(C)CC(C)(C)CN[C@H]1CCCCc2cc(C#N)ccc21 360838713 DLWTUSFGWSILSW-SFHVURJKSA-N 299.462 3.503 30 20 CHED CO[C@H](C1CC1)[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 388356430 QVRFLVMPKOUEGC-XPTSAGLGSA-N 298.308 3.802 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2csc3ccccc23)C1 397586557 JADQPJPIMCBHMZ-GFCCVEGCSA-N 284.384 3.667 30 20 CHED Cc1cccc2cc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)oc12 408004246 KAUHEUATZUZKKP-SGTLLEGYSA-N 296.370 3.944 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Cl)ccc1C 410122728 MYIGJKFNGLJQOK-LBPRGKRZSA-N 251.757 3.733 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)c1ccc(F)c(F)c1 410127414 MTSZHZKWFNLRIZ-PWSUYJOCSA-N 267.319 3.539 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)N[C@H](C#N)c1ccccc1Cl 410636538 AJRKXVXAJAXWJT-XFJVYGCCSA-N 290.794 3.847 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1cnc(C#N)c(Cl)c1 411036625 XVXJHWMGSACFTQ-SNVBAGLBSA-N 279.771 3.617 30 20 CHED CCN(CC#N)[C@@H](C)c1ccc(Cl)c(Cl)c1 411216153 SVAUAVDWDAQZTC-VIFPVBQESA-N 257.164 3.900 30 20 CHED C[C@@H]1CN(CCC2(C#N)CCCCC2)CCC1(F)F 411744934 HDVZICJXAISTKS-CYBMUJFWSA-N 270.367 3.828 30 20 CHED C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1ncc(C#N)cc1F 413181027 JJIGPLOATAKURC-CZUORRHYSA-N 295.361 3.550 30 20 CHED N#Cc1c(Cl)cccc1NCc1nnc(C2CC2)s1 413573397 CMUGCASXFREEGG-UHFFFAOYSA-N 290.779 3.553 30 20 CHED C=CCC[C@H](NCC[C@@H]1CCCN(C)C1)c1ccco1 414178005 JPHPGVMAMJSREY-HOTGVXAUSA-N 276.424 3.608 30 20 CHED C[C@@H](SCCn1cc(Cl)cn1)c1cccc(C#N)c1 419462538 JQCFDBSTNRTKTM-LLVKDONJSA-N 291.807 3.903 30 20 CHED C=CCC[C@@H](CCC)Nc1cccc(N(C)C(N)=O)c1 426552833 MCZZTYRYMLSZFV-CYBMUJFWSA-N 275.396 3.748 30 20 CHED CC1(C)CCC(c2noc(-c3ccc(C#N)o3)n2)CC1 426612810 OLBJAKVTFFYCAD-UHFFFAOYSA-N 271.320 3.885 30 20 CHED C=CCC[C@@H](O)CN1CCCC[C@@H]1c1ccc(F)cc1F 432028746 YMLGYSKHDFTPOC-RHSMWYFYSA-N 295.373 3.819 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC1[C@@H](C)CCC[C@@H]1C 432271777 RXFDMWJKOLWHMZ-RYUDHWBXSA-N 285.391 3.813 30 20 CHED CC(C)CN(C(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(C#N)cc1 433011402 OBSPGLBOLOKDBL-SJORKVTESA-N 282.387 3.593 30 20 CHED C[C@H](C1CC1)N(C(=O)[C@H](C#N)CCc1ccccc1)C1CC1 433313238 PMFPPTLXGCEWSF-PBHICJAKSA-N 296.414 3.548 30 20 CHED Cc1ccc(C)c(C(=O)COc2ccc(C#N)c(C)c2)c1 434647261 TULKATAKDSRGEX-UHFFFAOYSA-N 279.339 3.745 30 20 CHED C=CCC[C@H](NC(=O)NC1CCCC1)c1ccccc1 434982960 SJHRUZKJWRYAQV-INIZCTEOSA-N 272.392 3.936 30 20 CHED CCCCN(C)C(=O)CSCCCCC(C)(C)C#N 436200751 GKYMGUUBOAMTAI-UHFFFAOYSA-N 284.469 3.698 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)cc(C)c1 436285026 NFMJLPQFNCXTGU-JZXOWHBKSA-N 273.420 3.935 30 20 CHED CN(Cc1cccc(C#N)c1F)CC1(c2ccccc2)CC1 444680059 DAONSGFCUHMIBU-UHFFFAOYSA-N 294.373 3.861 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccnc1C1CC1 448132358 KRFSDXYENFJAFN-UHFFFAOYSA-N 298.411 3.849 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@@H]2OCC[C@H]21 449181421 HHICZPINXYCSLA-JONQDZQNSA-N 251.414 3.669 30 20 CHED C=CCC1(NCc2ccc(OC)c(O)c2)CCCCC1 449572464 JOGCOFYEVBNKHD-UHFFFAOYSA-N 275.392 3.769 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)NCC1(CC(C)C)CCCC1 450080945 HYCUTVQMTPETPN-UHFFFAOYSA-N 287.407 3.531 30 20 CHED C[C@H](SC1CCC1)C(=O)N(CCC#N)c1ccccc1 450994234 YEHUTFPYMYXKMP-ZDUSSCGKSA-N 288.416 3.607 30 20 CHED C=CC(C)(C)c1nc(C(C)(C)c2cccc(F)c2)no1 453164628 REKZBKGWCOZZFW-UHFFFAOYSA-N 274.339 3.998 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCO[C@@H](c3cccs3)C2)C1 453424869 NAKHTILZTZOSDW-KBUPBQIOSA-N 290.432 3.640 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@@H]1c1cccc(F)c1 455364066 ISIXSJFXGKQBGJ-OAHLLOKOSA-N 290.382 3.884 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(OC(F)F)cn1 455565997 XNVVXBUOTWENEI-JTQLQIEISA-N 299.321 3.549 30 20 CHED CC(C)CCN(C(=O)NCC(C)(C)CC#N)C1CCCC1 459253416 DLKIVNUQXFTXRH-UHFFFAOYSA-N 293.455 3.927 30 20 CHED C[C@@H](C(=O)N[C@H]1CCCCC1(C)C)c1cccc(C#N)c1 462198465 JCNGWGYQBMRSSP-CJNGLKHVSA-N 284.403 3.747 30 20 CHED C[C@H](C(=O)NC(C)(C)c1cccs1)c1cccc(C#N)c1 463876517 ZPUHIVUTVWWSAF-LBPRGKRZSA-N 298.411 3.775 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 466401283 HXINPPNCCFEOOL-MJGOQNOKSA-N 298.430 3.979 30 20 CHED CC#CCCCC(=O)N[C@H](C1CCCCC1)C(F)(F)F 466441577 LRSVCTFLFZQFEO-CQSZACIVSA-N 289.341 3.807 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)c1cc2ccccc2o1 466502467 HCQXNAZKDRKSDQ-JTQLQIEISA-N 296.351 3.857 30 20 CHED Cc1ccccc1OCCN(C)Cc1ccc(F)c(C#N)c1 468278785 VFTKXFYXAQMUJQ-UHFFFAOYSA-N 298.361 3.517 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)Cc1ccc(F)cc1 468513157 BIAAPJDXVKPHFW-LBPRGKRZSA-N 284.334 3.749 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CC=CCC2)CCCC1(C)C 470309235 PRVZHRKLUZPXGH-GJZGRUSLSA-N 261.409 3.936 30 20 CHED C=CCCCCNC(=O)c1cc(C)nc2ccccc12 471673599 IZIGXIXJEZZHCI-UHFFFAOYSA-N 268.360 3.629 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@@H]1CCC(=O)[C@H]1C 475906027 OKCDXRLGHBKRTJ-HOCLYGCPSA-N 291.435 3.587 30 20 CHED CC(C)c1cccc(CNC(=O)c2cc(C#N)cs2)c1 475983801 NXPHURSYKQREON-UHFFFAOYSA-N 284.384 3.673 30 20 CHED C=CCNC(=O)c1ccccc1NCCCc1ccccc1 484790149 UCDOKDXXXUAXTJ-UHFFFAOYSA-N 294.398 3.647 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)cc1C 485600426 OXCYDOIKYDHRND-CQSZACIVSA-N 258.365 3.876 30 20 CHED COc1ccc(C#N)cc1NCc1cc2ccc(F)cc2[nH]1 488595461 XALMURGKAWKPDB-UHFFFAOYSA-N 295.317 3.799 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCOc1c(C)cccc1C 488847798 ACKUNWWUIPGYSC-MRXNPFEDSA-N 287.403 3.639 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccccc1SC 488857391 QDLXQTJWSGLNHT-GFCCVEGCSA-N 261.390 3.589 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1Cl 488927859 YUACTCZULXOMHK-GFCCVEGCSA-N 289.766 3.784 30 20 CHED C=CCC(C)(C)CNC(=O)C1(c2cccc(C)c2)CC1 489887119 UKJGBQHWRCVEJY-UHFFFAOYSA-N 271.404 3.745 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)C(CC)CC 490212393 KPWKZZOKPXQDOZ-AWEZNQCLSA-N 277.408 3.909 30 20 CHED C=CC[C@H](CC)NC(=O)NC(C)(C)c1ccccc1F 490301198 PMSQRNIAUYAXRW-LBPRGKRZSA-N 278.371 3.715 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(C)cccc1Cl 491146896 PJYKSJHJJDPGTN-LLVKDONJSA-N 264.756 3.572 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](C)c1cccc2ccccc12 491316854 YCRRHRYOAYAQCL-KBPBESRZSA-N 280.371 3.564 30 20 CHED CC(C)(CCC#N)CNC(=O)NCCC1=CCCCCC1 502187465 PKDKTUJKEPDVAI-UHFFFAOYSA-N 291.439 3.896 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 503488624 BMDVRPICKFGGLP-YGRLFVJLSA-N 276.767 3.520 30 20 CHED C=CCOCC(=O)Nc1cccc(Nc2ccccc2)c1 511499402 LKCSHXRFEDFAGV-UHFFFAOYSA-N 282.343 3.571 30 20 CHED CCCCc1nc(COc2ccccc2C#N)cs1 513636241 XTLZXBQMRZTRKZ-UHFFFAOYSA-N 272.373 3.936 30 20 CHED COc1cc(C#N)ccc1Oc1nc2cc(C)ccc2o1 513649135 BSCIZHHKVPVDKB-UHFFFAOYSA-N 280.283 3.809 30 20 CHED C=CCC[C@H](NC[C@@H](CC)N1CCCC1)c1ccco1 514084605 RAVYVCIOUVLPBE-CVEARBPZSA-N 276.424 3.751 30 20 CHED C=CCN(CC(F)(F)F)C(=O)CC1CCC(C)CC1 524538184 PSRGTRSKSGZTFL-UHFFFAOYSA-N 277.330 3.780 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ncc(CC)o1 525787934 MHIFMYSKIJKQPX-UHFFFAOYSA-N 283.375 3.521 30 20 CHED C[C@H](SCCOC[C@@H]1CCCO1)c1cccc(C#N)c1 526948384 CPRUWEFLMYMOEJ-BBRMVZONSA-N 291.416 3.548 30 20 CHED CCC(C#N)(CC)c1nc([C@H]2CCC[C@H](C)C2)no1 528113954 KENMYHNZFCVYSU-RYUDHWBXSA-N 261.369 3.945 30 20 CHED CCCC[C@@H](CCC)CNC(=O)C1(C#N)CC(C)C1 532079160 MTNOAWXSUVXJAV-NPCAHTBFSA-N 264.413 3.649 30 20 CHED N#Cc1c(F)cccc1OCc1ccc(OC(F)F)cc1 533674861 CROFBVBNZGWJDF-UHFFFAOYSA-N 293.244 3.878 30 20 CHED CCCOc1cccc(C(=O)N[C@](C)(C#N)CC(C)C)c1 535326897 TYODJXFHBFSNCQ-KRWDZBQOSA-N 288.391 3.534 30 20 CHED C[C@H](NCc1cccc(C#N)c1F)c1c(F)cccc1F 537026077 TXLXVWYORDWMHW-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCC[C@H](C)C1 538367265 BEDNKYSURHJCCG-SOUVJXGZSA-N 266.429 3.951 30 20 CHED C=CCC[C@@H](NCCc1ccccc1OCC)C1CC1 540176641 UJQLTMQRJIKYKI-QGZVFWFLSA-N 273.420 3.962 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@@H]1Cc1ccccc1 540488122 STHXTYMHCALAHP-XIRDDKMYSA-N 286.419 3.662 30 20 CHED C=C(C)CS[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 540724417 MWCLRXSQFXMUEM-ZDUSSCGKSA-N 299.798 3.894 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N1CCC(CC#N)CC1 543831552 CYSNVMLHFVGRNI-HNNXBMFYSA-N 284.403 3.641 30 20 CHED N#Cc1cccc(OCCNc2c(F)cccc2Cl)c1 544369323 NKOYNCQATCZGCD-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCC1CCCC1 546916296 LQBVZHNYEYYVFI-CYBMUJFWSA-N 269.454 3.723 30 20 CHED C[C@H](NC[C@H](C)C(F)(F)F)c1ccc(C#N)cc1F 548158483 JENCUXGGHHGLRN-IUCAKERBSA-N 274.261 3.546 30 20 CHED C=C(C)Cn1c(N2CCC[C@H](CC)C2)nnc1C(C)(C)C 555266752 FDHCEWSUNRHHRT-AWEZNQCLSA-N 290.455 3.778 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccccc2C)no1 559971086 LFTXYSWKJOBATP-INIZCTEOSA-N 256.349 3.823 30 20 CHED CC1(C)CCCN(C/C=C\c2ccc(F)c(F)c2)[C@H]1C#N 564305688 YGPGBFYGTXQMIZ-IMMZDGJCSA-N 290.357 3.992 30 20 CHED Cc1ccccc1-n1cnnc1SCC(C)(C)CC#N 565237530 JPHNVBRRLRCNBQ-UHFFFAOYSA-N 286.404 3.608 30 20 CHED CCCn1ccc2cc(NC[C@H](C#N)CCC#N)ccc21 566125567 OCEVWBLJCPKFLT-AWEZNQCLSA-N 280.375 3.907 30 20 CHED C=CCCCCCNC(=O)N(C)[C@@H]1CC[C@@H](C)C1 568187940 SDRCXNOXSWXCSB-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCCCC(F)(F)C1 569468181 DQWJTCOCGWGZRF-GFCCVEGCSA-N 273.367 3.921 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)Cc1cnc2ccc(C#N)cn12 575028025 OHIIDBGXNLXDKR-DOTOQJQBSA-N 296.418 3.607 30 20 CHED COc1cc(C)ccc1CN1CCC(CCC#N)CC1 578194051 GWBAMJWEFBKJIR-UHFFFAOYSA-N 272.392 3.519 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 581755638 WNKYHGKJJQTWDU-SUMWQHHRSA-N 254.377 3.880 30 20 CHED N#Cc1sccc1-c1ccc2c(c1)CC[C@@]21C[C@H]1C(=O)O 582133030 GQIQYAWSGPYBRT-WMLDXEAASA-N 295.363 3.575 30 20 CHED CCCC1(C(=O)N[C@H](C#N)c2ccc(CC)cc2)CC1 584745472 LTPHKGTZHUZSEY-OAHLLOKOSA-N 270.376 3.510 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)CCCCCC#N)CCC2 588798504 AFIQKOHZMFTPJQ-KRWDZBQOSA-N 284.403 3.963 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)c2ccccc2n1)C1CCCC1 589042322 CRRPAWRIZPJIRD-LBPRGKRZSA-N 293.370 3.871 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 593388785 LTLPETZGHNZOLR-BDAKNGLRSA-N 285.174 3.720 30 20 CHED CC(C)CCN(CCC#N)Cc1cc2cnccc2o1 593573007 RTPAAHJROQSKKG-UHFFFAOYSA-N 271.364 3.590 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H](C)CC1 594009431 MOJYHOTXXVTRGS-VKJFTORMSA-N 298.430 3.822 30 20 CHED CC[C@@H](Cc1cccc(-c2csc(C#N)c2)c1)C(=O)O 594871982 LRCNTOMQQSTFDU-LBPRGKRZSA-N 285.368 3.940 30 20 CHED N#Cc1ccc(CCNC2(c3nccs3)CCCC2)cc1 595381849 KSJDWLVWTKNRDG-UHFFFAOYSA-N 297.427 3.616 30 20 CHED CCS[C@@H]1CCCC[C@H]1N[C@H](C#N)c1ccccc1 595449686 PMAKKXRHZYURRZ-BZUAXINKSA-N 274.433 3.905 30 20 CHED C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)CC(C)(C)C1 597493497 ILVOAMTVTUSIPN-CQSZACIVSA-N 276.424 3.745 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1C#N 597568090 JKFYHAVNDHNIJR-MRXNPFEDSA-N 282.387 3.718 30 20 CHED CC(C)c1ccc(C(=O)NCCc2ccc(C#N)cc2)cc1 597898009 NEAYKKSXLGRNPP-UHFFFAOYSA-N 292.382 3.654 30 20 CHED CCCCc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1 597916983 WBIIXCPQQBDAOH-INIZCTEOSA-N 284.403 3.795 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N(C2CC2)[C@H](C)C#N)c1 598135526 XQQIFMNEXQZBBY-HUUCEWRRSA-N 298.430 3.892 30 20 CHED CC1(C)CCN(C(=O)c2cc(C#N)cs2)CC(C)(C)C1 598184238 GYZQUEKEVORPGV-UHFFFAOYSA-N 290.432 3.908 30 20 CHED CCN(C(=O)CSc1ccc(C(C)C)cc1)[C@@H](C)C#N 598352090 GNMPHGPSLDLGDG-ZDUSSCGKSA-N 290.432 3.663 30 20 CHED CC(C)CC[C@H](NC[C@@H](O)CC(C)(C)C#N)C(C)(C)C 598600498 FOKXNIJSQAETBB-GJZGRUSLSA-N 282.472 3.728 30 20 CHED C=CCN(C(=O)C[C@@H](CC#N)c1ccccc1)C(C)(C)C 598871180 KNZHOGUFSOVYNM-MRXNPFEDSA-N 284.403 3.887 30 20 CHED Cc1ccc2occ(CC(=O)N[C@@](C)(C#N)C(C)(C)C)c2c1 602301939 BYVIEPGDZUICOL-SFHVURJKSA-N 298.386 3.728 30 20 CHED C=CCN(CCc1ccccc1)C[C@@H](C)CCC#N 602456211 VPAASMWQERHKHD-INIZCTEOSA-N 256.393 3.657 30 20 CHED CC(C)OCc1ccc(NC[C@@H](C)CCC#N)cc1 602487955 QEGKHHZTCZFBSK-AWEZNQCLSA-N 260.381 3.963 30 20 CHED C[C@@H](CCC#N)CNCc1cccc2ccsc12 602700466 SJLMVZZDBXHIDP-LBPRGKRZSA-N 258.390 3.931 30 20 CHED COc1ccccc1[C@@H]1CCCCN1CC1(CC#N)CC1 602775106 IFEHUOJZALSPOM-INIZCTEOSA-N 284.403 3.916 30 20 CHED Cc1occc1CN=c1c(C#N)c[nH]c2ccc(Cl)cc12 610275817 ZHFQPLXYBLGQRV-UHFFFAOYSA-N 297.745 3.695 30 20 CHED C[C@H](NCc1ccc2c(c1)CCC2)c1cccc(C#N)c1 610344657 DAXNYBCIDRKADN-AWEZNQCLSA-N 276.383 3.898 30 20 CHED C[C@H](NCc1ccc(Cl)o1)c1cccc(C#N)c1 610344847 JHZPGCKLFIUDKV-JTQLQIEISA-N 260.724 3.655 30 20 CHED C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1cccc(C#N)c1 610360976 LZEUTIMYSGZHTL-ZDUSSCGKSA-N 290.366 3.538 30 20 CHED N#Cc1ccc(F)cc1CN1CCC[C@@H]1c1ccc(O)cc1 610728652 JXDSZJVJWFZPSP-GOSISDBHSA-N 296.345 3.740 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1nc(C)ccc1C#N)CC2 611227505 XAYPPEBOTZBFPL-MRXNPFEDSA-N 263.344 3.670 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCOC1CCCCC1 611392414 QRJRJGZAEVIOJB-IBGZPJMESA-N 298.430 3.875 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Br)cc(C)c1C 613305330 RFMRSPUECSKRBB-UHFFFAOYSA-N 296.208 3.714 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(C)cc(C(F)(F)F)c1 617032316 ASULZGRQTAMQSC-LLVKDONJSA-N 299.296 3.828 30 20 CHED CC1(C)CCCN(Cc2ccc3cnccc3c2)[C@H]1C#N 618822747 KXSALUCSMYJZPD-KRWDZBQOSA-N 279.387 3.749 30 20 CHED C=CCC1(NC(=O)c2cccc3cc[nH]c23)CCCC1 619107441 AULOERRTMVKBSF-UHFFFAOYSA-N 268.360 3.787 30 20 CHED C=CCCCCCN(C)[C@H](c1nccn1C)C1CC1 638094782 LJJHAMFQAINGBC-HNNXBMFYSA-N 261.413 3.549 30 20 CHED C=C(CC)CNCc1cc2cc(Cl)cnc2o1 648840303 WCOYEHARLISZPK-UHFFFAOYSA-N 250.729 3.537 30 20 CHED C=CCCC1(CN[C@@H](C)c2ccncn2)CCCC1 658098635 OHWXRDMHBAZCEF-AWEZNQCLSA-N 259.397 3.654 30 20 CHED C=CCCNC(=O)N[C@H](CC)c1cccc(Cl)c1 660391110 MPECRVWWGGZPNR-CYBMUJFWSA-N 266.772 3.666 30 20 CHED C=C1CCN(C(=O)[C@@]2(c3ccccc3)CC2(C)C)CC1 668303291 CNARUWCKKLOYJC-SFHVURJKSA-N 269.388 3.533 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](CC)C1 670204909 AZNWYRXIJBNTAF-HNNXBMFYSA-N 290.455 3.679 30 20 CHED C=CCSc1ccccc1C(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 681625638 YFMXZOYBZPXFRX-APYUEPQZSA-N 299.439 3.739 30 20 CHED C[C@H](COc1ccccc1)Nc1ccc(C#N)cc1F 699342270 JAPPVIFAJBNDQH-GFCCVEGCSA-N 270.307 3.577 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1O 727973687 WYDIUACMMKIHNY-UHFFFAOYSA-N 299.330 3.753 30 20 CHED CC(C)c1ccc2cc(C(=O)NCCCCC#N)[nH]c2c1 728892040 GJUPSFHAQJBIRL-UHFFFAOYSA-N 283.375 3.715 30 20 CHED Cc1sc2ncnc(NN=C3CCC[C@@H]3C)c2c1C 729140865 PKJQDQPRKRNUAA-QMMMGPOBSA-N 274.393 3.896 30 20 CHED Cc1ccc(NN=Cc2ccc(-c3ccccc3F)o2)nn1 729936112 HEXCWHRXZUAKAV-UHFFFAOYSA-N 296.305 3.630 30 20 CHED Cc1cc(/C=C\C(=O)c2csc(C(=O)O)c2)ccc1F 730148117 BUFVQNIASLZGFC-HYXAFXHYSA-N 290.315 3.790 30 20 CHED C#CCOc1ccccc1OC(=O)/C=C(\C)c1ccccc1 730510092 YVBLQWJUGFRORI-CCEZHUSRSA-N 292.334 3.708 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(CC)cc1)c1ccncc1 734233925 BYTXHVWEQDGYKZ-QGZVFWFLSA-N 280.371 3.691 30 20 CHED CCc1ccc(CON=Cc2cccc(OC)c2OC)cc1 735302622 AVRIWXYFHLKORZ-UHFFFAOYSA-N 299.370 3.817 30 20 CHED C=CCCCOC(=O)[C@H](C)Sc1ccc(OC)cc1 735530832 QBVRMZLHXIVBJO-LBPRGKRZSA-N 280.389 3.685 30 20 CHED C#Cc1cccc(NC(=O)c2cc3occc3s2)c1 735996138 DLDQIKOEHOHZCC-UHFFFAOYSA-N 267.309 3.728 30 20 CHED CCCCCCCN1CCC[C@@H](c2ccnn2C)C1 740875250 OCQMEAHQDTZOAK-OAHLLOKOSA-N 263.429 3.570 30 20 CHED C(=NNc1cnnc2ccccc12)c1ccc2ccccc2n1 741460517 NYEWIKOVEUETPO-UHFFFAOYSA-N 299.337 3.624 30 20 CHED C=CC[C@@H](NC(=O)c1cccc2cc[nH]c12)c1ccncc1 742675908 DTGDRNZZXLCOER-MRXNPFEDSA-N 291.354 3.610 30 20 CHED Cc1nc2cc(N=Cc3cc(Cl)ccc3O)ccc2n1C 743045512 NEBDTNCYSIQLND-UHFFFAOYSA-N 299.761 3.991 30 20 CHED CCCCCC[C@H](C)NN=C1CCCC[C@@H]1OC 743450991 WEYXXFNWSAIYQV-ZFWWWQNUSA-N 254.418 3.880 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(OC)c(OC)c1 743451104 ZUSKZOJUBABHET-CQSZACIVSA-N 292.423 3.986 30 20 CHED CO[C@H](C)C(C)=NOCc1ccc(C(F)(F)F)cc1 746576173 LRFLNBNAJBWRPA-SNVBAGLBSA-N 275.270 3.633 30 20 CHED Cc1ccc([C@H](NC(=O)C#Cc2ccccc2)C2CC2)cc1 747202899 DCFJUEWIIGKDBW-FQEVSTJZSA-N 289.378 3.614 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)cc1)C2 747439426 ADOYHCLPBGULGS-OQLLNIDSSA-N 264.324 3.826 30 20 CHED CC(C)C(=NNc1cc(F)c(F)c(F)c1)C1CC1 747642705 UAOZSBFWTJIQQO-UHFFFAOYSA-N 256.271 3.938 30 20 CHED C[C@@H](C=NNc1cncc(Cl)n1)CCc1ccccc1 749158373 MVUGMBTXUVKIGM-GFCCVEGCSA-N 288.782 3.797 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)/C=C(/C)c1cccc(Cl)c1 749914530 ZWNGPOBAHKJQSJ-OEMOTLHWSA-N 290.794 3.751 30 20 CHED C(=NNc1nncc2ccccc12)c1ccccc1C1CC1 751131305 OSMZKHBQVBBXQM-UHFFFAOYSA-N 288.354 3.953 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1cnc2ccccc2n1 751133023 KYTPXNHXQLUILA-LBPRGKRZSA-N 288.354 3.638 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(N(C)C)c(F)c2)o1 752238510 UYZQVJVIOZCIIP-TWGQIWQCSA-N 287.334 3.943 30 20 CHED CC(C)CN(CCC#N)Cc1ncc(C(C)C)s1 753541488 ZGDAFHHFWJZYQZ-UHFFFAOYSA-N 265.426 3.638 30 20 CHED C[C@H](OC(=O)/C=C1/CC[C@@H](C)C1)c1ccc(C#N)cc1 753644671 RVUZNSKMIAXNSP-JKIKXBSOSA-N 269.344 3.909 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1ccccn1 754710581 URYXWHIPWJZYJV-UHFFFAOYSA-N 280.249 3.903 30 20 CHED CCn1ccnc1C=NNc1c(Cl)cccc1Cl 755773868 WANLLEOVNGXVSW-UHFFFAOYSA-N 283.162 3.656 30 20 CHED Clc1ccc2c(c1)CCC2=NO[C@@H]1CCCCO1 755815176 OYVSJSBLTYVFDU-CQSZACIVSA-N 265.740 3.534 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccc(F)c(F)c1)OCC 756475036 AAOYUHNHOXXOIV-NHYWBVRUSA-N 298.329 3.940 30 20 CHED C#CC[C@@H](N[C@H](C)c1ccc(F)cc1O)c1ccccc1 756774210 ANIAUGWQVIPTOV-CXAGYDPISA-N 283.346 3.947 30 20 CHED CC(CC1CC1)=NNC(=S)Nc1cc(C)ccc1F 756835160 RSGKEVBXLQTCEQ-UHFFFAOYSA-N 279.384 3.597 30 20 CHED C#CC[C@H](NC(=O)CCSCCCC)c1ccccc1 757578884 MIUAPHMCVVZRAQ-INIZCTEOSA-N 289.444 3.791 30 20 CHED Clc1ccc(NN=Cc2cc3ccccc3s2)nn1 758359135 NZYMKYPCWMONJF-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CCC[C@@H](C#N)NC(=O)/C(C)=C\c1cccc(Cl)c1 758949242 NRSGFHNXXHSQKP-MSKHEQNASA-N 276.767 3.552 30 20 CHED CCC(=NNc1cc(C)ccn1)c1ccc(N(C)C)cc1 759206146 SSSLOYIOCDVDSF-UHFFFAOYSA-N 282.391 3.682 30 20 CHED C#CCCc1noc(-c2csc(-c3ccccc3F)n2)n1 762007904 USYXEMRGUCKEKX-UHFFFAOYSA-N 299.330 3.565 30 20 CHED C#CCCc1noc(-c2ccc(-c3ccsc3)nc2C)n1 762011013 VAOLBXVLNPHBSC-UHFFFAOYSA-N 295.367 3.734 30 20 CHED Cn1c(C=NNc2ccccc2)nc2ccc(Cl)cc21 763338768 LDDXBXSLVRSBQE-UHFFFAOYSA-N 284.750 3.673 30 20 CHED CCc1ccc(C(=O)/C=C/c2sccc2OC)o1 764442604 OZYGAROQCWOGML-FNORWQNLSA-N 262.330 3.808 30 20 CHED CC#CC(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 764469673 FASRMVRNEVYKSX-AWEZNQCLSA-N 297.320 3.932 30 20 CHED CCCCCCC[C@H](C)CN[C@@H](C)[C@H]1CCOC1 765255605 QPKSRSPSYSTXSA-JYJNAYRXSA-N 255.446 3.998 30 20 CHED CCn1cc(/C=C2\C(=O)c3ccccc3[C@H]2C(C)C)cn1 766507734 XBIMSMTULXNOFY-VHEJECIDSA-N 280.371 3.923 30 20 CHED C[C@H]1CCC(=NNc2nc3ccccc3[nH]2)C[C@@H]1C 767357633 IJOUSULPKYCPGW-QWRGUYRKSA-N 256.353 3.787 30 20 CHED C[C@H]1CCC(=NNc2ncnc3ccsc23)C[C@@H]1C 767387376 HUKWTPQMVXHXIB-UWVGGRQHSA-N 274.393 3.915 30 20 CHED Fc1cc(F)c(C=NNCc2cccc(Cl)c2)cc1F 767786562 BJOLKOSWWHURQY-UHFFFAOYSA-N 298.695 3.881 30 20 CHED Cc1ccnc(NN=Cc2cnc(C3CCCC3)s2)c1 767789543 YSKORVMENGSLRM-UHFFFAOYSA-N 286.404 3.950 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)cc2F)c(C)o1 767908379 QYHFVFIOECDNDN-UHFFFAOYSA-N 268.238 3.760 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1csc(C(C)C)n1 768784125 LQXSXGJQLYJTRZ-AVGNSLFASA-N 277.437 3.769 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(SC(F)(F)F)cc1 768878242 QEOLJCMXVGOPAO-JTQLQIEISA-N 288.338 3.890 30 20 CHED O=C(/C=C/c1ccccc1Br)c1cscn1 769266546 XUKVLGSLYHIJJB-AATRIKPKSA-N 294.173 3.802 30 20 CHED CCC(CC)n1ccc(CON=Cc2cccc(F)c2)n1 771182183 SROJKCNVSMCMNP-UHFFFAOYSA-N 289.354 3.934 30 20 CHED N#Cc1ccc(/C=C2/Cc3c(F)cccc3C2=O)c(F)c1 772806170 KMCCJMFPYYMGBS-GHXNOFRVSA-N 281.261 3.659 30 20 CHED C#CCN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 774371175 QTMBTJFRUGBADO-CYBMUJFWSA-N 255.283 3.625 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NOC1CCCC1 774597198 PMYCCBGIMUWHNP-UHFFFAOYSA-N 283.375 3.782 30 20 CHED N#Cc1cccc(COC(=O)/C=C\c2cccs2)c1F 774882729 JOYQJHJHQUURFY-SREVYHEPSA-N 287.315 3.515 30 20 CHED CS[C@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 776384969 BJTINSQAZODAJP-ZDUSSCGKSA-N 277.389 3.574 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@H]1C=CCCC1 777693651 BZPNJBFDXNXLMA-ZDUSSCGKSA-N 287.334 3.523 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc(O)cc1 777912628 WLBXMJSMXLZNEB-UITAMQMPSA-N 256.276 3.736 30 20 CHED C=C(C)COC(=O)c1ccnc(SC(C)(C)C)c1 778863035 OMTXNUZDOHFXPI-UHFFFAOYSA-N 265.378 3.705 30 20 CHED COc1cc(C)c(CNc2cc(C#N)ccc2C)cc1OC 779589909 LPQYXLKSSNKQGP-UHFFFAOYSA-N 296.370 3.804 30 20 CHED CCCCCCCCC(=O)N[C@H](C)C1=CCN(C)CC1 781183610 JDLMWOQJVZKYJL-OAHLLOKOSA-N 280.456 3.504 30 20 CHED N#CCC1CCN(Cc2c(O)ccc3ccccc23)CC1 781570955 AFFZLBNETACKMF-UHFFFAOYSA-N 280.371 3.671 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCC(C)(C)C1 781850743 SZNHTRMUTIAMPQ-OLZOCXBDSA-N 286.375 3.742 30 20 CHED C=CCCCCCOC(=O)Cc1ccccc1OC 781979839 PTYNEMZDDRFNAA-UHFFFAOYSA-N 262.349 3.527 30 20 CHED C#CCCSc1nc(C(C)C)nc2ccccc12 783441765 QJQKMYPENSIKOY-UHFFFAOYSA-N 256.374 3.869 30 20 CHED COc1cccc(NN=Cc2cc(C)c3ncccc3c2)c1 783817149 WRKWPTDKDBHQOA-UHFFFAOYSA-N 291.354 3.998 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2c(C)noc2C2CC2)c1 783958058 WCJAGVRLQNZUBT-UHFFFAOYSA-N 294.354 3.508 30 20 CHED C#CCC1(C(=O)N2CCCC[C@H](SC)C2)CCCCC1 788233993 ZPUHLJRTNLHFBC-HNNXBMFYSA-N 293.476 3.704 30 20 CHED CCCC[C@@H]1CCCC1=NN[C@@H](CO)c1ccccc1 788458581 ZIOLMNPRCFPYSP-PBHICJAKSA-N 274.408 3.656 30 20 CHED COC1(C=NNc2nc(C(F)(F)F)cs2)CCCC1 790167037 IDPNDHKNHQOWRS-UHFFFAOYSA-N 293.314 3.519 30 20 CHED CC(=NNc1ncccc1C)c1cc(F)cc(F)c1 790190850 MQMNNFVKMDWPSF-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C=CCC1(C(=O)OCc2cnn(-c3ccccc3)c2)CCC1 791562814 PQZWEUCCLOAQKX-UHFFFAOYSA-N 296.370 3.662 30 20 CHED C#CC[C@@H](NCCCc1ccc(C)nc1)c1ccccc1 793024435 ALYMLPKHQBOLDI-LJQANCHMSA-N 278.399 3.677 30 20 CHED COc1ccc(Cl)cc1/C=C\C(=O)c1ccnc(F)c1 794720044 PHUDFAOMXLIRAS-RQOWECAXSA-N 291.709 3.779 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc2n[nH]cc2c1 794901642 NOVWTDZTDSRLDT-UHFFFAOYSA-N 268.295 3.538 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc2n[nH]cc2c1 794902610 ZHRCOHXYUXYHQS-UHFFFAOYSA-N 286.285 3.677 30 20 CHED Cc1cc(F)ccc1NN=C[C@@H]1CCCSC1 794922647 KQKNQWUPZWDTDV-NSHDSACASA-N 252.358 3.675 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1ccnc(F)c1 794935953 NNRUQOYJELWSRJ-ZDUSSCGKSA-N 263.360 3.503 30 20 CHED CC1(C)CC(=NNc2cccc(F)n2)c2ccoc2C1 795007948 ACVJCRFARWNGSH-UHFFFAOYSA-N 273.311 3.602 30 20 CHED CC(C)c1occc1C(=O)OCc1cc(C#N)ccc1F 796396064 NZHPWBHQIHRAFP-UHFFFAOYSA-N 287.290 3.771 30 20 CHED CCc1onc(-c2ccccc2)c1C(=O)OCC(C)(C)C#N 796826081 JKSIIJAUBUUKBC-UHFFFAOYSA-N 298.342 3.611 30 20 CHED CSc1cccc(COC(=O)c2cccc(C#N)c2)c1 797034890 OSORALWJWOZPOH-UHFFFAOYSA-N 283.352 3.637 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)c1nccs1 797405059 VMPOZHNWIPTGJI-UHFFFAOYSA-N 295.799 3.546 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)CCC2CC2)s1 797571752 VWDXNLVSBDXDBH-LLVKDONJSA-N 276.405 3.807 30 20 CHED C#C[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)C(C)C 799046653 NLSADENCBVLOLR-DAWZGUTISA-N 283.415 3.734 30 20 CHED N#C[C@H]1CC[C@H](Nc2cnn(-c3ccccc3Cl)c2)C1 799722316 MLMBMDQZFIPXGO-RYUDHWBXSA-N 286.766 3.630 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1c(C)cc(C)cc1O 799873676 VCEUSPVLIRHKOO-UHFFFAOYSA-N 298.342 3.543 30 20 CHED c1cncc([C@@H]2CCCC(=NN[C@H]3C[C@H]4CC[C@H]3C4)C2)c1 799883496 FKRWVBJYFAEOTO-KRXQYRFLSA-N 283.419 3.873 30 20 CHED CC#CC(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 801161053 YZJGFOWSTWXCGE-AWEZNQCLSA-N 293.366 3.563 30 20 CHED CC#CC(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 801185902 DJNZNNULSCPUCB-OAHLLOKOSA-N 291.272 3.583 30 20 CHED C=C(C)CCOC(=O)c1ccc(Cl)nc1Cl 803323356 LBPGHCFFUAQPGN-UHFFFAOYSA-N 260.120 3.511 30 20 CHED CCOc1ccccc1CNc1nc(Cl)c(C#N)s1 804373515 URXLVRDNCSXTRI-UHFFFAOYSA-N 293.779 3.679 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(-c2ccco2)cc1F 806479569 ZTNTTXJRXNKSBG-LBPRGKRZSA-N 286.306 3.619 30 20 CHED C[C@H]1/C(=C\c2ccccc2C#N)C(=O)c2ccccc21 809155656 CPPRUCMWGHWJSQ-YXHQGMJNSA-N 259.308 3.942 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C2/CC[C@H](C)C2)cc1 809258216 ODOMSPDUPDGXSC-GBQYURHRSA-N 282.387 3.676 30 20 CHED C#Cc1ccc(CN[C@H](CC)c2ccc(OC)cc2)cc1 809602636 UOXLIEJXNDXYHL-LJQANCHMSA-N 279.383 3.917 30 20 CHED C#C[C@H](N[C@@H](C)CCc1ccc(F)cc1F)C(C)C 809685276 LDAOPEFFFRIJIE-LRDDRELGSA-N 265.347 3.533 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 811998131 URXQFGKAYUZCEB-WFASDCNBSA-N 292.810 3.700 30 20 CHED CCCCCCCCNC(=O)N1CC[C@](CO)(CCC)C1 812181310 YCENMNBMLGSIIY-QGZVFWFLSA-N 298.471 3.541 30 20 CHED N#C[C@@H]1CCCC(=NNc2ccc3ccccc3n2)C1 814697468 PQLMHSGJWDZLHL-GFCCVEGCSA-N 264.332 3.716 30 20 CHED CCC(=NO[C@@H]1CCCCO1)c1ccc(Cl)c(N)c1 814888407 YYMNLOWHOCGHNK-CQSZACIVSA-N 282.771 3.580 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CC[C@H]1C1CC1 814921987 OEKLRWVVBBYNSM-JTQLQIEISA-N 278.787 3.841 30 20 CHED CCCn1cccc1C=NNc1ccc(OCC)cc1 814983472 AFGSPBCLCPFNPH-UHFFFAOYSA-N 271.364 3.743 30 20 CHED Cc1c(C(=O)OCc2ccc(CC#N)cc2)ccn1C(C)C 815316188 KSMGJPQGVADRRG-UHFFFAOYSA-N 296.370 3.801 30 20 CHED COc1cc(C(=O)/C=C/C(C)=C/c2ccccc2)on1 821021040 BPAIQVKNSBANKM-CDKJVOIVSA-N 269.300 3.526 30 20 CHED C=CCN(C(=O)Nc1ccc(F)cc1SC)C(C)C 832173684 VBPRQAHDLBGHMT-UHFFFAOYSA-N 282.384 3.976 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccc(C2CCC2)cc1 834417023 AZONJESKEINHOZ-FLIBITNWSA-N 280.371 3.892 30 20 CHED C=CCCc1noc([C@@H](C)Cc2ccc(F)cc2)n1 834814092 FBZHMDDEJOLGRF-NSHDSACASA-N 260.312 3.674 30 20 CHED CC(=NN[C@@H]1CCOC1(C)C)C12CC3CC(CC(C3)C1)C2 835015448 QKBSNKSCJRQTTB-QFQXCOSMSA-N 290.451 3.736 30 20 CHED CC(C)Sc1ccc([C@H](C)NC(=O)C#CC2CC2)cc1 837396054 ZMKFZCMYAMQHRU-ZDUSSCGKSA-N 287.428 3.778 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2c[nH]c3ccccc23)C1 839041940 FPMSMFVTNXUTSW-UKRRQHHQSA-N 296.370 3.726 30 20 CHED Cc1cccc(C2(C(=O)O[C@H]3CCC[C@H](C#N)C3)CC2)c1 839047024 BVTHHMKVGIJSFW-HOCLYGCPSA-N 283.371 3.652 30 20 CHED Cc1c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)ccn1C(C)C 839063221 QJNXGXHOSYMRRI-KGLIPLIRSA-N 274.364 3.617 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(OC(C)C)c(OC)c1 839539530 VZAUESYYUIBMHW-GFCCVEGCSA-N 283.799 3.886 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)CCCc1cccnc1 840712123 WBWOAZOQUHLHHU-ZXOFLVKFSA-N 298.386 3.626 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Oc1cccc(OCC#N)c1 841343816 JABAKKYQTCVNMR-AWEZNQCLSA-N 289.375 3.957 30 20 CHED C=CCCCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842942113 WFKWUBCVRPKYTP-LLVKDONJSA-N 260.362 3.553 30 20 CHED C=C[C@H](C)ONC(=O)N(CC)C[C@H](CC)c1ccccc1 845623300 HFZMMAAIVIGIOE-GJZGRUSLSA-N 290.407 3.718 30 20 CHED O=C1/C(=C/c2ccnn2CC2CC2)CCc2sccc21 849245318 GZBKZLMHIOEJOP-FMIVXFBMSA-N 284.384 3.567 30 20 CHED N#Cc1ccc(CCOC(=O)CCCc2cccs2)cc1 849653474 NEIVSYSRZHRNER-UHFFFAOYSA-N 299.395 3.728 30 20 CHED C#CCCCCCOC(=O)CC[C@@H]1CC1(Cl)Cl 850928382 GRWUOCDVWFIHBI-LLVKDONJSA-N 277.191 3.697 30 20 CHED C=C[C@H](OC(=O)CC1CC(F)(F)C1)c1ccccc1 851451069 BTQPRKZHJBWACN-ZDUSSCGKSA-N 266.287 3.892 30 20 CHED C=CCCONC(=O)CCC[C@H](C)c1cccc(OC)c1 856035161 XCFPGNJAFULQOX-AWEZNQCLSA-N 291.391 3.593 30 20 CHED C=CC[C@H](OC(=O)c1conc1CC)c1ccccc1 860678253 XNUKZMGOPCJEDD-HNNXBMFYSA-N 271.316 3.711 30 20 CHED CC(=NNc1cccc(F)c1Cl)C1CCOCC1 863158490 DELPOFPYQCNLPC-UHFFFAOYSA-N 270.735 3.694 30 20 CHED Cc1ncc(COc2c(C)cc(Cl)cc2C#N)s1 864047394 AKJVPZWGJIOERA-UHFFFAOYSA-N 278.764 3.864 30 20 CHED C=C1CCC(C(=O)OCc2csc([C@H](C)OC)n2)CC1 885649816 LDDWJBKSUFOTJU-NSHDSACASA-N 295.404 3.640 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc2cnccc2c1 894443044 BTAIIAHIJOZSHN-UHFFFAOYSA-N 255.317 3.743 30 20 CHED C=CCC1(O)CCN(C(=O)CCCCCC(C)C)CC1 899590365 YUPKEROTQQXPLT-UHFFFAOYSA-N 281.440 3.523 30 20 CHED CC[C@H](N[C@@H]1CC[C@@H](SC)C1)c1cccc(C#N)c1 902821366 IVQIVIIHNPYZGO-OAGGEKHMSA-N 274.433 3.883 30 20 CHED CC(C)[C@@H](CSc1ccccc1)NCC1(C#N)CC1 903105633 GKJWYWMMVBBGLF-OAHLLOKOSA-N 274.433 3.697 30 20 CHED CN(C)Cc1cccc(-c2csc(CC#N)c2)c1 904758385 LUXGZWUESJGNAT-UHFFFAOYSA-N 256.374 3.543 30 20 CHED N#CC1(CCCCOC(=O)C(C2CC2)C2CC2)CCC1 909096988 GYGFXNHESPOLNF-UHFFFAOYSA-N 275.392 3.830 30 20 CHED CC(CC12CC3CC(CC(C3)C1)C2)=NNc1ncccn1 912973223 LZGVTIXUDONPGL-UHFFFAOYSA-N 284.407 3.871 30 20 CHED CC(=NNc1ccccc1F)c1cccc(C#N)c1 915957887 ALLFJVBYUIRJNE-UHFFFAOYSA-N 253.280 3.533 30 20 CHED CCCNN=Cc1sc(Nc2ccccc2)nc1Cl 915966027 UULKVLKMWPZGQU-UHFFFAOYSA-N 294.811 3.874 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cn1)c1ccc(C)cc1 915969106 JWJKPNTXVRNAGN-UHFFFAOYSA-N 284.319 3.524 30 20 CHED CC(=NNc1nccc2sccc12)c1ccco1 915980152 OGGNDSLXTJGFNW-UHFFFAOYSA-N 257.318 3.725 30 20 CHED C=CCN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C 916046978 DSNAERKJDUTNHJ-NWDGAFQWSA-N 277.330 3.778 30 20 CHED Cc1cc(C)nc(NN=Cc2cc(C)n(CC(C)C)c2C)n1 916241016 BQBPNHASKLTHHN-UHFFFAOYSA-N 299.422 3.614 30 20 CHED Clc1ccc(NN=Cc2ccc(-n3ccnc3)cc2)cc1 917022986 VGNXVUMDEYCKBU-UHFFFAOYSA-N 296.761 3.972 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C/N=C/c2ccccc2O)o1 917556791 MYZNRJHXTDUMJE-WRGXQLIMSA-N 255.317 3.728 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc(F)cc2F)c1 920376084 BRTQKGOEDKRXMS-UHFFFAOYSA-N 268.213 3.689 30 20 CHED CCCC[C@@H](CC)CNC=C1C(=O)CC(CC)CC1=O 920976138 HKGVIERHAHCZNA-KWCCSABGSA-N 279.424 3.635 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1ncco1)c1ccc(F)c(F)c1 926205054 CIHTVWXNRLAVST-IINYFYTJSA-N 278.302 3.921 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1ncco1 926592118 RSCKSNWSGWYYTL-DZGCQCFKSA-N 256.349 3.513 30 20 CHED C[C@H](O)CN(CCCCC1(C#N)CCC1)c1ccccc1 929704259 BASBJPKDOWOYDR-INIZCTEOSA-N 286.419 3.738 30 20 CHED CC[C@H](C)N(CC)C(=O)Nc1cc(C#N)ccc1C 930018401 MYMFOJJLTNTZCM-LBPRGKRZSA-N 259.353 3.519 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1ccc(F)c(F)c1 930542107 RSKZLHQTEGPJDJ-SNVBAGLBSA-N 253.292 3.530 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2ccccc2[C@H]1C 932177183 LIBGQIXQEFFACY-ZIAGYGMSSA-N 257.377 3.735 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)cc(F)c1OC 934740495 SSXDVPAIEQQUEA-SECBINFHSA-N 269.291 3.514 30 20 CHED Cn1ccc(NN=Cc2ccc(-c3ccccc3)cc2)n1 1116759719 MBTKNFPNPNFARK-UHFFFAOYSA-N 276.343 3.533 30 20 CHED N#Cc1ccc(CSC2CCC3(CC2)OCCO3)s1 1118417586 YWODMXXOPNIEIC-UHFFFAOYSA-N 295.429 3.539 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C2CC2)nc1C 1120814121 WODCACVMCWTMLJ-OAHLLOKOSA-N 284.403 3.838 30 20 CHED CC[C@H](C)N(CC)c1nnc(C(C#N)(CC)CC)n1CC 1121683272 KZUKQHHAEGVBGX-ZDUSSCGKSA-N 291.443 3.504 30 20 CHED C#CCCCC(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1123105260 DHRWURGLESVIBC-WFASDCNBSA-N 275.373 3.686 30 20 CHED N#Cc1ccc(F)c(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 1129715860 SCPBTRBQCUIGRH-CHWSQXEVSA-N 286.350 3.852 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccccc1C 1155486687 GMFJOJPKZGNYBD-ZDUSSCGKSA-N 293.370 3.651 30 20 CHED Cc1nc(C#N)cc(N[C@@H](c2ccc(F)cc2)C(C)C)n1 1159062718 PWPGYEJKSXUWBP-MRXNPFEDSA-N 284.338 3.605 30 20 CHED COc1cccc2c1CN(CCC1(C#N)CCCCC1)CC2 1170342284 LZGAQMKVZCGURU-UHFFFAOYSA-N 298.430 3.917 30 20 CHED CCN(CCc1ccc(C#N)cc1)C1CCCCC1 1208921114 ZYVUWIXKAATEQE-UHFFFAOYSA-N 256.393 3.755 30 20 CHED Cc1ccc(NN=Cc2ccccc2C#N)cc1Cl 1253641329 ODADWSIDOHWAQM-UHFFFAOYSA-N 269.735 3.966 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)[C@]1(C)CC[C@H](C)C1(C)C 1263616749 HGWVRWYDOPNOSC-DCGLDWPTSA-N 287.407 3.542 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc(OC(C)C)c1 1273389513 ONSZYWSDSFLECD-UHFFFAOYSA-N 294.354 3.906 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(C(C)C)nc1 1289142394 AOKQDEOHSVFERR-UHFFFAOYSA-N 279.343 3.637 30 20 CHED Cc1cc(N2CCC[C@@H](Cc3ccccc3)C2)c(C#N)cn1 1306958954 MCRJBRVXAPYAGV-KRWDZBQOSA-N 291.398 3.721 30 20 CHED C#CCOCCN(C)Cc1sc2ccccc2c1Cl 1319773196 LNYBYJKUHXABED-UHFFFAOYSA-N 293.819 3.636 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H](C)n1ccnc1 1320179630 SJMJQFLZNYINFW-CABCVRRESA-N 279.428 3.557 30 20 CHED N#Cc1cccc(NC(=O)CCSCCCCCF)c1 1322209866 UYFBNKDGGHAMOK-UHFFFAOYSA-N 294.395 3.760 30 20 CHED Cc1cccc2nc(NCC3CCC(C#N)CC3)oc12 1324716314 MFZMFVHWEWECIE-UHFFFAOYSA-N 269.348 3.878 30 20 CHED C=C1CCC(C(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 1334162159 URLCAAIYNVCLDB-CYBMUJFWSA-N 290.234 3.823 30 20 CHED C=C(C)CCC(=O)NC1CC(C)(c2ccccc2)C1 1335922097 XAZAOFDQOVJGTI-UHFFFAOYSA-N 257.377 3.579 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C(C)(C)C)on1 1336760972 VNGHYTXVFZGGBX-GFCCVEGCSA-N 276.380 3.543 30 20 CHED CC[C@H](C#N)N(CC)C(=O)/C=C/c1ccc(Cl)cc1 1338328962 OMZLUUBUGCLGLF-DNGMOHDESA-N 276.767 3.504 30 20 CHED CC(C)(CCC#N)CNCc1ccc2c(c1)CCC2 1339510929 XUUYPIBVKHTCAK-UHFFFAOYSA-N 256.393 3.595 30 20 CHED C[C@H](CC(=O)[C@@H](C#N)c1cccc(F)n1)CC(C)(C)C 1344593753 BQUOMHTXGURASI-NEPJUHHUSA-N 276.355 3.859 30 20 CHED CCC1(C(=O)O[C@H](CC#N)c2ccco2)CCCC1 1345982445 RGWAJHWRHTWNFE-CYBMUJFWSA-N 261.321 3.748 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccc(Br)cc1 1346287674 KWTIBNJUMIXVRD-UHFFFAOYSA-N 296.208 3.764 30 20 CHED C=C[C@H](C(=O)NC[C@@H]1CCCCC1(F)F)c1ccccc1 1347137618 XXZGPYSSWSICQL-GJZGRUSLSA-N 293.357 3.898 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCc3c(Cl)cccc32)C1 1347140298 ZYTUEDWAXAPOOR-UHIISALHSA-N 289.762 3.605 30 20 CHED C=C(C)CCC(=O)N(CCC#N)c1ccc(OCC)cc1 1357900772 MRIBMWQRFNDKST-UHFFFAOYSA-N 286.375 3.688 30 20 CHED CCC1(NC(=O)Nc2cc(C)cc(C#N)c2)CCCC1 1476740912 XBJSAFPTCXCRIZ-UHFFFAOYSA-N 271.364 3.711 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2ccc(F)c(C#N)c2)CC[C@H]1C 1520423810 UMTPELBPEHKONS-GRYCIOLGSA-N 274.339 3.708 30 20 CHED N#Cc1cc(C(=O)Nc2ncc(Cl)cc2Cl)cs1 1525386453 YDTXTSTVWWMUFB-UHFFFAOYSA-N 298.154 3.574 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)C1CCCCC1 1526210003 ULDTULOHGSDMRX-ZDUSSCGKSA-N 270.376 3.565 30 20 CHED C=C(CC)C(=O)Nc1ccccc1SC[C@H](C)C#N 1527680555 PWTHJLMTMGIKNP-LLVKDONJSA-N 274.389 3.843 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2ccc(C#N)cc2)[C@@H]1C 1527768684 NHNBOJZZYGHARC-JMSVASOKSA-N 257.333 3.540 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)Nc1sccc1C#N 1563024524 NBFGLOLHPHWHMS-LLVKDONJSA-N 285.372 3.811 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc(Cl)c(C#N)c1 1583221375 OZTAXQJORPUQNC-MEDUHNTESA-N 290.794 3.910 30 20 CHED C=CCC[C@H](CCC)N[C@H](C(=O)O)c1ccccc1F 1588777965 NYRYFEDZRPSNPB-WFASDCNBSA-N 279.355 3.676 30 20 CHED CCCC[C@@H](SCc1ccc(F)cc1C#N)C(=O)O 1595656868 FASVZEJPPFMZBY-CYBMUJFWSA-N 281.352 3.574 30 20 CHED Cc1ccc2sc(NCc3ccnc(C#N)c3)nc2c1C 1612335868 KSMCZKJAPNSYFF-UHFFFAOYSA-N 294.383 3.792 30 20 CHED CC(C)[C@H]1CCC[C@@H](Nc2ncccc2C#N)CC1 1642600570 PFWOPGZYKJPQAZ-DZGCQCFKSA-N 257.381 3.970 30 20 CHED C[C@H]1C[C@@H](C)CN(c2nc(C(C)(C)C)ccc2C#N)C1 1649266018 TUEAQRXSDIWSLO-BETUJISGSA-N 271.408 3.733 30 20 CHED CCC(CC)Nc1c(Br)cccc1C#N 1654893770 QMKHIUYZBNKPEB-UHFFFAOYSA-N 267.170 3.921 30 20 CHED CC[C@H]1CCN(c2ccc(C#N)c(Br)c2)[C@H]1C 1655393398 YYJIQLUWBFWRPX-QWRGUYRKSA-N 293.208 3.946 30 20 CHED Cc1nc(N2CC(C)(C)C[C@H]2C)c(Cl)cc1C#N 1655574775 AIMJIGVLAGCADM-SECBINFHSA-N 263.772 3.540 30 20 CHED C=C(Cl)CN(Cc1ccccc1)C1(CO)CCCC1 1658781270 IHKLVZYMWHVROF-UHFFFAOYSA-N 279.811 3.546 30 20 CHED C=C(CNC(=O)NC[C@H]1CCC[C@@H](C)C1)c1ccccc1 1675971056 UXPZMVHCZPDIES-ZBFHGGJFSA-N 286.419 3.825 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCC(C)(C)CC#N 1678523516 JSJGRSLTZQQAAP-HUUCEWRRSA-N 293.455 3.830 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccccc1 1679071015 RFLGNRKVRXLOOG-RCCFBDPRSA-N 298.430 3.968 30 20 CHED C=CC1CCN(c2nc3ccccc3c(C)c2C(=O)O)CC1 1776150170 DOECZFKNIJMZKA-UHFFFAOYSA-N 296.370 3.644 30 20 CHED Cc1ccc(-c2ccc(C(=O)N(C)CCC#N)c(F)c2)cc1 106751175 GDVRKNKOZYWQOK-UHFFFAOYSA-N 296.345 3.787 30 20 CHED CCS[C@@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 176983385 SXIIUXWEMVPNFR-JKSUJKDBSA-N 274.433 3.712 30 20 CHED CCN(Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1 102675959 MLRAWINEEDOGPQ-UHFFFAOYSA-N 293.414 3.646 30 20 CHED N#Cc1ccc(CSc2ccccc2C#N)cc1 172679187 NWMXPAJKGSZVAT-UHFFFAOYSA-N 250.326 3.722 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)C(C)C 171927612 YSBYOWRCCKVNJD-AWEZNQCLSA-N 275.392 3.502 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OCCCC)cc1 57158022 KGHZNFJCFGYZQH-UHFFFAOYSA-N 275.392 3.904 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccccc1O 101353473 TUXXLLJAIKMZJR-VURMDHGXSA-N 260.239 3.567 30 20 CHED CCN(CC#N)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 68231716 YZOHQAGQEUMLTG-NSHDSACASA-N 298.308 3.571 30 20 CHED C#CCCCNC(=O)N(CCCC)[C@H](C)c1ccccc1 174119738 PLOAIXAJFGKYSR-MRXNPFEDSA-N 286.419 3.973 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(-n2cccn2)cc1 119020742 RSRSBHPOODHANW-VMPITWQZSA-N 278.311 3.670 30 20 CHED CC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 117448553 KOULZCQWNNTWJA-CABCVRRESA-N 299.418 3.841 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@@H](Cc2ccccc2)C1 302489675 JOTGPRYJIXLOBG-DOTOQJQBSA-N 277.371 3.777 30 20 CHED C[C@@H]1CN(CCCSCC#N)c2cc(Cl)ccc2O1 74991850 AWVPLZFXELKKBV-LLVKDONJSA-N 296.823 3.574 30 20 CHED C#CCCCCC(=O)N1CCC(Nc2cccc(C)c2)CC1 180245383 BOJDFVSDCZPRQM-UHFFFAOYSA-N 298.430 3.592 30 20 CHED CSc1ccc([C@H](C)NCC(C)(C)CC#N)cc1 414161018 DWJZKVSAXKUWIQ-LBPRGKRZSA-N 262.422 3.999 30 20 CHED COc1ccc(NCc2ccccc2C#N)cc1Cl 20041220 GVTXVVBGMXKNMK-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=CCOc1cccc(NC(=O)c2oc(C)cc2C)c1 176160751 XWTFAAJWCDENRJ-UHFFFAOYSA-N 271.316 3.714 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)c1ccc(Cl)c(C#N)n1 301503137 FVCHOUZZSHARRU-SNVBAGLBSA-N 289.741 3.943 30 20 CHED C=CCCn1cnc2cc(-c3ccccc3)sc2c1=O 128731427 GBKMDALCHDBHMH-UHFFFAOYSA-N 282.368 3.701 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1cc2ccccc2s1 175597640 JFKQDPRQRLSLSK-SNVBAGLBSA-N 295.367 3.592 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccc(C)c1 60677852 HYLIMVLBFFOYDV-UHFFFAOYSA-N 271.385 3.885 30 20 CHED CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ccc(C#N)cc1 301289640 OGRWRWHKXJNDEZ-ZBFHGGJFSA-N 272.392 3.811 30 20 CHED C[C@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)[C@H]1C 301499280 WCTZKXLSBADCAF-UWVGGRQHSA-N 268.282 3.812 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2nc(C)ccc2o1 182652688 JEDSOMKTNRPRRL-NSHDSACASA-N 272.348 3.611 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)c1cccc(F)c1 604515107 VVWSLYAEBGFEOE-LLVKDONJSA-N 270.307 3.879 30 20 CHED CCC(=O)c1cc(Br)ccc1OCCCC#N 121748432 TYODSVVEKXCAQM-UHFFFAOYSA-N 296.164 3.724 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)cc1OCCC 185221604 ODEBQOPFWPJJSB-UHFFFAOYSA-N 273.376 3.916 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(SC)cc1 78595251 VISLJIUBDKQEER-CYBMUJFWSA-N 293.432 3.600 30 20 CHED N#CC1(CNC(=O)N[C@@H](c2ccccc2)C2CCC2)CCC1 419452742 HLFDEMJZXDZQCB-INIZCTEOSA-N 297.402 3.521 30 20 CHED CCCc1cccc(CNCc2cccc(C#N)c2)c1 187118011 WXYHIGDLCGSFDX-UHFFFAOYSA-N 264.372 3.801 30 20 CHED CC#CCNc1cccc(COCc2ccc(OC)cc2)c1 182304487 JRADTTVIJAWEFP-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C#CCCCNC(=O)Nc1cccnc1-c1ccc(C)s1 189463590 HCGOQNJFSXBDEN-UHFFFAOYSA-N 299.399 3.653 30 20 CHED CC[C@@H]1C[C@H]1C(=O)Nc1sc(C(C)(C)C)cc1C#N 411004481 CNSPGYTXJWROTF-MWLCHTKSSA-N 276.405 3.902 30 20 CHED C=C(C)CCSCc1csc(-c2ncccn2)n1 507115543 JNQUHVCDSKLQBT-UHFFFAOYSA-N 277.418 3.800 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@@](C)(C#N)C(C)C)cc1 120920271 WQHMDCPWUIIPDR-SFHVURJKSA-N 286.419 3.797 30 20 CHED COCCCOc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 185741761 IPCKXIUNRDITCV-HUUCEWRRSA-N 288.391 3.596 30 20 CHED CCC1(CC)CCN(Cc2ccc(F)cc2C#N)C1 446724929 CZVUNBXLSPORLF-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=CCSCCN[C@H]1CCSc2ccc(F)cc21 180459387 UZBFEFGRGDUHQX-ZDUSSCGKSA-N 283.437 3.871 30 20 CHED N#Cc1ccc(OCC[C@@H]2CCCO2)c2ccccc12 419054602 MBYYMXDRJBDFRX-AWEZNQCLSA-N 267.328 3.659 30 20 CHED C=C(Br)CN[C@H](C)c1cc(C)ccc1C 133310931 XHISYGOTGKNYIS-GFCCVEGCSA-N 268.198 3.863 30 20 CHED CCCc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)CCC)cc1 76762620 UYWUVFCHDPRFBN-LBPRGKRZSA-N 297.420 3.721 30 20 CHED C=CC[C@H](CC)NC(=O)CCCOc1ccc(Cl)cc1 410142294 KSKMANUHHHFIIH-AWEZNQCLSA-N 295.810 3.970 30 20 CHED CC#CCCCC(=O)NCCc1ccc(C(F)(F)F)cc1 184895265 SUMPGMKIAINHHV-UHFFFAOYSA-N 297.320 3.558 30 20 CHED CC[C@@H](C#N)Sc1nnc(Nc2cccc(C)c2)s1 127092286 BLHDUBYGHRWOIR-NSHDSACASA-N 290.417 3.984 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc(Cl)cc1 410136100 UMYHKFQZKJIEMC-AWEZNQCLSA-N 265.784 3.744 30 20 CHED Cc1nnc(-c2cccc(N[C@@H]3CCC[C@H](C#N)C3)c2)o1 185748399 YUNPEQHGSAZJBK-GXTWGEPZSA-N 282.347 3.539 30 20 CHED C=CCN1C(=O)/C(=C/c2ccc(F)cc2C)SC1=S 131061900 DCXMBEXLTVCZTC-WQLSENKSSA-N 293.388 3.521 30 20 CHED COc1cc(C(=O)/C=C/c2cncs2)ccc1SC 130050984 NKLHZSLHNGPLHM-SNAWJCMRSA-N 291.397 3.770 30 20 CHED C=CCC[C@H](C(=O)NCc1cncc(C)c1)c1ccccc1 187373391 QPBHBDGYGDJFQD-SFHVURJKSA-N 294.398 3.756 30 20 CHED CC(C)c1cnc(NCc2cccc(C#N)c2)s1 185983560 DGDTYAUVDXXCRJ-UHFFFAOYSA-N 257.362 3.750 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccccc2C2CC2)C1 612406893 WKCCEGKFBXUDPO-KRWDZBQOSA-N 254.377 3.690 30 20 CHED Cc1cnc(-c2cccc(N=C(O)[C@@H]3C[C@]34CCOC4)c2)o1 329601195 KMMHGBMHSHEQTJ-YOEHRIQHSA-N 298.342 3.665 30 20 CHED C#CCCCC(=O)Oc1ccc(Oc2nccs2)cc1 192371692 UNDBAQNDIMRHDG-UHFFFAOYSA-N 287.340 3.644 30 20 CHED C=CCCCOc1ccc(Br)c(F)c1 83119653 QSGOZOCJICYQQK-UHFFFAOYSA-N 259.118 3.933 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccc(C#N)cc1F 88154159 KBPORKJBHWZAMS-UHFFFAOYSA-N 280.302 3.765 30 20 CHED Cc1ncc(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cn1 328775108 KMTKOMBOCXGOJQ-MELADBBJSA-N 273.380 3.980 30 20 CHED C=CC[C@@H](C(=O)NCC(C)(C)CC)c1ccccc1 190891238 MPDGBKGWIVTRSL-OAHLLOKOSA-N 259.393 3.899 30 20 CHED Cc1cnc(-c2cccc(N=C(O)[C@@H]3C[C@@]34CCOC4)c2)o1 329601192 KMMHGBMHSHEQTJ-WMLDXEAASA-N 298.342 3.665 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(C(C)(C)C)cc1 48151158 PCBSPBNONDNUKA-UHFFFAOYSA-N 286.419 3.996 30 20 CHED C[C@H]1CC[C@@H](C)N1Cc1cc(C#N)ccc1Br 191807588 GKTPDGVTBWGZFQ-PHIMTYICSA-N 293.208 3.694 30 20 CHED C[C@@H](Oc1ccc2c(c1)CCC2=O)c1cccc(C#N)c1 194706395 DGTOQNMWWZGVAK-GFCCVEGCSA-N 277.323 3.827 30 20 CHED CCN(C)c1ccc(/C=C/C(=O)c2ccc(F)cc2)cn1 191208931 QKEJLRNMCLTDCP-ONNFQVAWSA-N 284.334 3.573 30 20 CHED Cc1ccnc(NCc2ccc(F)c(C#N)c2Cl)c1 428859567 CQVDOTPHURGMJH-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccc(-c2ccccc2)cc1 84059440 VJNXJKLTWVNFTD-ZDUSSCGKSA-N 279.343 3.635 30 20 CHED C=CCC[C@H](CCC)NCc1cc2ccccc2n(C)c1=O 426343277 OZOVIMQCSAGROF-KRWDZBQOSA-N 298.430 3.763 30 20 CHED CC(C)(C#N)CCC[S@](=O)c1ccc(Cl)cc1 87611168 PYAZSVZNZMRXEJ-QGZVFWFLSA-N 269.797 3.778 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 429091387 FFGXHLUYTUNUJJ-BDAKNGLRSA-N 287.190 3.928 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2c(C)nn(C)c2C)c1 194356646 DVFNSQVCIDWVIQ-CMDGGOBGSA-N 268.360 3.550 30 20 CHED CC(C)CSCCCNc1nc2c(cc1C#N)CCC2 339366442 NIXKJBKRCYQWCA-UHFFFAOYSA-N 289.448 3.633 30 20 CHED Cc1ccc2c(c1)CN(CCCCC(C)(C)C#N)CCO2 512176830 DYIADGBSGYXPRY-UHFFFAOYSA-N 286.419 3.910 30 20 CHED CCC(CC)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425123597 DNHYVTDQLZPLKK-GFCCVEGCSA-N 258.365 3.514 30 20 CHED Cc1nc(C)c(C/N=C(/O)N[C@H](C)CCC(C)(C)C)s1 330935529 NRTULYQGRMRBGP-SNVBAGLBSA-N 297.468 3.978 30 20 CHED C[C@@H]1CCC[C@@H](CC/N=C(/O)N[C@H](C(=N)O)C(C)(C)C)C1 330709421 RWYKLGQVRGWLMM-FRRDWIJNSA-N 297.443 3.656 30 20 CHED CC(C)N(Cc1ccc(O[C@H](C)C#N)cc1)C1CCC1 93608307 DFDQEIZPYZFWBB-CQSZACIVSA-N 272.392 3.740 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)c1cccc(O)c1 336212229 RGOFHGOYXILORC-YGONEPDPSA-N 258.365 3.515 30 20 CHED Cc1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)oc1C 335082391 DFUGPFZDQDVWTA-GFCCVEGCSA-N 282.343 3.601 30 20 CHED Cc1oc2ccccc2c1CN[C@H]1CC[C@H](C#N)C1 334546528 BQLKECWXIRWYJA-STQMWFEESA-N 254.333 3.523 30 20 CHED CSc1ccc(CCNc2nccc(C)c2C#N)cc1 435602069 SJUDMVXFWACNNE-UHFFFAOYSA-N 283.400 3.638 30 20 CHED C[C@H](CSCCOc1ccc(C#N)cc1)C(F)(F)F 439028745 PABNYQCHHAHTPT-SNVBAGLBSA-N 289.322 3.869 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1(c2ccccc2F)CC1 432326819 QSANXYKPWSJVPW-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc2[nH]c(C)cc2c1 432565556 ADJSJPNOLDVMMX-UHFFFAOYSA-N 299.418 3.878 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)c2cc3ccccc3o2)C1 527190671 HMHZATZANKYCRC-VMBJYNEYSA-N 282.343 3.550 30 20 CHED C=CC[C@H](C)NCc1cc(OC)cc(C(F)(F)F)c1 527661681 MRDBXIZAXVUHFF-JTQLQIEISA-N 273.298 3.768 30 20 CHED CCOc1cc(NCC(C)(C)CCC#N)ccc1[N+](=O)[O-] 340944683 ZCGNKTFVORXFHU-UHFFFAOYSA-N 291.351 3.735 30 20 CHED CCC(=O)c1cccc(NC(=O)c2ccc(CC#N)cc2)c1 340260616 FANZRERBDCHMLV-UHFFFAOYSA-N 292.338 3.598 30 20 CHED CN(CC#Cc1ccc(F)cc1)[C@@H]1CCc2ccccc2C1 437551449 XZRPBCUVAXVYQG-HXUWFJFHSA-N 293.385 3.667 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(OC)ccc1OCC 439495348 GEGJEFVOFVTMSZ-LBPRGKRZSA-N 292.379 3.570 30 20 CHED C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(C#N)c1 245868107 IYQWIIAQIDHYCW-KYNGSXCRSA-N 292.382 3.739 30 20 CHED Cc1ccccc1-c1nsc(N2CCC(CC#N)CC2)n1 527957429 NXPMJQCSCLARHB-UHFFFAOYSA-N 298.415 3.644 30 20 CHED N#Cc1ccc(-c2ccc(OC[C@@H]3CCOC3)cc2)cc1 525641895 KWCWAGBQJYGBRG-OAHLLOKOSA-N 279.339 3.641 30 20 CHED CCOc1cccc(CNc2ccc(C#N)cc2COC)c1 603276715 MPDXFYSPXWGYJU-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C=CC1CCN(Cc2ccc(-n3nc(C)cc3C)cc2)CC1 348166758 MDAZOQBBDKGSGV-UHFFFAOYSA-N 295.430 3.887 30 20 CHED CCC(CC)CN(CC#Cc1ccc(F)cc1)CCC#N 437581354 RRTGEWQAAVOVBA-UHFFFAOYSA-N 286.394 3.829 30 20 CHED CN(CC#N)C(=O)CCCCc1ccc(C(C)(C)C)cc1 608878737 HIZIADPSZJFRCJ-UHFFFAOYSA-N 286.419 3.679 30 20 CHED Cc1cccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)n1 346452184 BGKBEENLUGQEHD-UHFFFAOYSA-N 293.370 3.565 30 20 CHED C=CCC(CC=C)C(=O)Nc1sc(CC)nc1C 341637182 DFCPWINUXBHFRY-UHFFFAOYSA-N 264.394 3.721 30 20 CHED C[C@@H](Nc1nc2c(cc1C#N)CCC2)c1c(F)cccc1F 603871978 XOBUNCHROHLSEE-SNVBAGLBSA-N 299.324 3.893 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)/C=C\c1ccccc1C#N 255304349 DVYKTLYKLIRPII-LMQHERIESA-N 282.387 3.609 30 20 CHED C=CCN(CCC#N)Cc1cc(Cl)c(OC)cc1Cl 430098900 KPAJHCYSSBZHEV-UHFFFAOYSA-N 299.201 3.904 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2cnccc2C#N)CC1 345363585 CYPUFMSMNWTOLI-LSDHHAIUSA-N 299.418 3.678 30 20 CHED COCCOc1cccc(/C=C\C(=O)C2CCCCC2)c1 255118837 SYOUAILAOYFJLT-KHPPLWFESA-N 288.387 3.874 30 20 CHED C=CCC1(C(=O)NC(C2CCC2)C2CCC2)CCC1 343379370 OJFGQCSJNPUWSI-UHFFFAOYSA-N 261.409 3.818 30 20 CHED C=CC[C@@H]1N(C(=O)c2cnccc2C)CCCC1(C)C 347424967 HCQDFQHMGFDGIV-HNNXBMFYSA-N 272.392 3.597 30 20 CHED C=CCCN(C)Cc1ccc(Br)cc1C 522016773 QDBJFKHOFRFXON-UHFFFAOYSA-N 268.198 3.765 30 20 CHED CCCN(Cc1ccc(OC)cc1)Cc1ccccc1C#N 603925913 PVXMHUZGUSMRHS-UHFFFAOYSA-N 294.398 3.979 30 20 CHED CCOc1ccc(CNc2ncccc2C#N)cc1Cl 343156792 CLTOIBNPMBRVOG-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CCN(CC)Cc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442858198 OQBUXORQLMZBGF-PBHICJAKSA-N 271.408 3.633 30 20 CHED C=C1CCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1 448912753 QZSNSWZNISKJEU-IRXDYDNUSA-N 269.388 3.749 30 20 CHED COc1cccc([C@@H]2C[C@H](C)CN2CC2(CC#N)CC2)c1 602803823 GGRKOUMNWVNKES-YOEHRIQHSA-N 284.403 3.772 30 20 CHED C=CC[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 523943851 LCNIGIHMUFMDDP-HNNXBMFYSA-N 299.418 3.690 30 20 CHED O=C(/C=C\c1ccccc1)c1cnn(Cc2ccccc2)c1 255298428 KLXCMLLZIBBUKT-QXMHVHEDSA-N 288.350 3.828 30 20 CHED N#Cc1cccc(NCC2(Cc3ccc(F)cc3)CC2)n1 356794037 MHYZLOHZRFEUQO-UHFFFAOYSA-N 281.334 3.527 30 20 CHED C=CCN(CCc1ccc2c(c1)CCO2)Cc1cccs1 441243359 IEASHEBUAKCDBJ-UHFFFAOYSA-N 299.439 3.914 30 20 CHED C=CCN(CCc1ccccc1)c1nc(C2CC2)ns1 356620124 XZJQJUMUDXHGNF-UHFFFAOYSA-N 285.416 3.651 30 20 CHED CC[C@@H](C)CCC(=O)N(CCC#N)CC(C)(C)C 352271380 BQAUVBUFGUXEJE-CYBMUJFWSA-N 252.402 3.601 30 20 CHED C/C=C/C=C\C(=O)N(CC)c1ccc(C#N)c(Cl)c1 255067552 AYOVGNNBBIZVCU-WZWXSLMZSA-N 274.751 3.697 30 20 CHED C=C1CCN(C(=O)c2ccc(SCC)cc2)CC1 350764953 DMWCIMXRZGHCAG-UHFFFAOYSA-N 261.390 3.591 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)Cc1ccsc1 539388814 UBBDKOFAPPIYIU-CHWSQXEVSA-N 280.437 3.723 30 20 CHED CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)CC#N 356195175 SHFPFENHOARNRG-INIZCTEOSA-N 272.392 3.550 30 20 CHED C=C(CC)CSCC(=O)NCc1ccc(Cl)cc1 358638088 UQWFLHKFQVFUTC-UHFFFAOYSA-N 283.824 3.656 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2cccc(Cl)c2)no1)OCC 533690709 NKELDIMVHFSJAT-CYBMUJFWSA-N 292.766 3.914 30 20 CHED N#Cc1cccnc1N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 359907390 WFCRMHVBWBVCMR-CJNGLKHVSA-N 281.334 3.841 30 20 CHED Cc1cc(-c2cccc(F)c2)nnc1NCCCCC#N 266365529 LAMVZHJWJPBYNB-UHFFFAOYSA-N 284.338 3.697 30 20 CHED C=C(C)CCSCC(=O)N[C@@H](C)c1ccccc1 350768629 ZEZIGFNIXPDDTJ-ZDUSSCGKSA-N 263.406 3.563 30 20 CHED N#CC1(C(=O)Nc2cc3c(cc2Cl)CCC3)CCCC1 530015684 DGZXBTPCVCBOQX-UHFFFAOYSA-N 288.778 3.851 30 20 CHED CC1(C)CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)C1 356588318 FRPDZDFGZSXYHB-CVEARBPZSA-N 284.403 3.769 30 20 CHED CCc1cnccc1[C@H](C)NC1CCC(C)(C#N)CC1 449208424 SLNOSEJAJOZGBX-KTAKPFMOSA-N 271.408 3.767 30 20 CHED C=C(CC)CSc1nc2cc(Br)cnc2[nH]1 539095746 XBNQPVZSGWGJDY-UHFFFAOYSA-N 298.209 3.779 30 20 CHED C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)C(C)(C)C 265333896 WXKZKPSNPACLEW-CYBMUJFWSA-N 288.391 3.990 30 20 CHED C[C@](Cc1ccccc1)(NCc1ccc(C#N)o1)C1CC1 449778316 RVKWALDAMCJUJR-GOSISDBHSA-N 280.371 3.652 30 20 CHED C=C(CC)CSCc1cc([N+](=O)[O-])cc2c1OCOC2 539095105 QFCYRFUQAZQQKD-UHFFFAOYSA-N 295.360 3.661 30 20 CHED CCC[C@@H](Sc1ccc(C#N)cc1F)C(=O)OCC 610218716 LIYWOWHQZJFJMT-CYBMUJFWSA-N 281.352 3.521 30 20 CHED CO[C@@H](c1ccccc1Cl)[C@H](C)NCC1(C#N)CCC1 450698051 IZXRFDMMIHIDBJ-SWLSCSKDSA-N 292.810 3.699 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)C1CCSCC1 619755802 UBTAGJHFQXNTSI-NSHDSACASA-N 294.851 3.833 30 20 CHED CCC(C)(C)[C@@H]1CCCN1Cc1cccc(C#N)c1 533086805 WQKSQGDGDLSSFL-INIZCTEOSA-N 256.393 3.959 30 20 CHED CCc1ccc(C(C)(C)CNC(=O)C2(C#N)CC(C)C2)cc1 532081240 DWBIIISXNYCWKZ-UHFFFAOYSA-N 298.430 3.583 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 267830583 CSXXLDQSXGIHAS-COTYYPEISA-N 288.778 3.767 30 20 CHED C[C@@H](C#N)CNC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 532669723 ZEZYPHCKDFKMBR-ZDUSSCGKSA-N 286.419 3.538 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2cccc(C)c2C1 617567005 PRLRRMBJDJJFEQ-UHFFFAOYSA-N 276.383 3.733 30 20 CHED C=CCCC1(C(=O)N2CCn3c(cc4ccccc43)C2)CC1 361025275 LMMBYDLOTGBBEK-UHFFFAOYSA-N 294.398 3.730 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(F)cc1OC(F)F 454874665 UCAUOJWOXQBBMK-UHFFFAOYSA-N 288.269 3.515 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C 456342275 PDLLCBGKXQHDCT-UONOGXRCSA-N 251.414 3.728 30 20 CHED C=CCC1(CNC(=O)c2cnc(C)nc2C2CC2)CCCC1 456503114 IGSIHGLOUKIURC-UHFFFAOYSA-N 299.418 3.529 30 20 CHED N#CCc1ccc(-c2nc(Cc3ccccc3F)no2)cc1 546955983 AAMVYTWANJZAQU-UHFFFAOYSA-N 293.301 3.533 30 20 CHED CCS[C@@H](C)c1noc([C@H](C)c2cccc(C#N)c2)n1 361263834 WCUILUCZRDIRJH-MNOVXSKESA-N 287.388 3.907 30 20 CHED N#C[C@]1(F)CCN(CCCOc2cccc3ccccc23)C1 615637883 DIQSUCRKNOLQGY-GOSISDBHSA-N 298.361 3.546 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccccc2C#N)C[C@H]1C 459834909 LZELMUMXWOUYGL-UPJWGTAASA-N 256.349 3.569 30 20 CHED COc1ccc([C@H]2CCCN2C[C@@H](C)CCC#N)cc1 618887019 FNTJRYHGWNSLCN-WMLDXEAASA-N 272.392 3.772 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](CC)OC2CCCC2)C1 617784573 ULMZJNPNJUVQGL-ZBFHGGJFSA-N 279.424 3.539 30 20 CHED C=CCC1(CN[C@@H](C)c2cnn(CC)c2)CCCC1 453389841 XWEVUBFVJLCBCW-AWEZNQCLSA-N 261.413 3.690 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CSc3ccccc32)C1 617784445 SGOIOXZOKNOPCB-DZGCQCFKSA-N 287.428 3.691 30 20 CHED Cc1ccc(C)c(-n2ncc([C@@H](C)NCCCC#N)c2C)c1 273293223 SQQVTWZPINTBCX-OAHLLOKOSA-N 296.418 3.752 30 20 CHED C=C(C)CCNC(=O)c1sc(-c2ccc(C)o2)nc1C 452721208 GVXFCLOQUBJDQJ-UHFFFAOYSA-N 290.388 3.716 30 20 CHED C[C@@H](CCC#N)N[C@H](c1ccc(F)cc1)C1CCC1 276273884 DMYMAJFMMPRSBG-LRDDRELGSA-N 260.356 3.949 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@H](c3ccccc3Cl)C2)c1 549283878 FARYVKVAYPETBY-JOCQHMNTSA-N 283.762 3.965 30 20 CHED C=CC[C@H]1N(C(=O)Cc2cccs2)CCCC1(C)C 549355244 UNKFMIIGGLBYRG-CQSZACIVSA-N 277.433 3.884 30 20 CHED CC#CCCCC(=O)Nc1ccccc1C(C)(F)F 452667446 HCFIMZQMDMADII-UHFFFAOYSA-N 265.303 3.930 30 20 CHED Cc1ccnc2ccc(C(=O)Nc3ccccc3C#N)cc12 360926046 ZMEXFNKDZMQPCY-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1cccc(OC(F)F)c1 272009478 JWOMHISCVZMSLD-NSHDSACASA-N 282.334 3.878 30 20 CHED C[C@@H]1CC=C(C(=O)N[C@@H](C#N)c2ccccc2Cl)CC1 455647232 LLTNJGBXWMYFPR-ABAIWWIYSA-N 288.778 3.767 30 20 CHED C=CCC[C@@H](C(=O)NC/C=C\CC)c1ccccc1 452607805 VZKMNYYPVSYVKZ-MGDKSHQASA-N 257.377 3.819 30 20 CHED Cc1ccsc1CCN[C@@H](C)c1cccc(C#N)c1 540604948 FBEJYIWWZCPIGY-ZDUSSCGKSA-N 270.401 3.822 30 20 CHED C[C@@H](NC(=O)N[C@H](C)C1CCCCC1)c1ccc(C#N)cc1 465669566 USZUMMZMSXIMHW-ZIAGYGMSSA-N 299.418 3.887 30 20 CHED C[C@@H]1Cc2ccccc2[C@H]1NCCc1cccc(C#N)c1 467457047 VKQLIBNNMMDMRD-KUHUBIRLSA-N 276.383 3.624 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)s1 557898727 DNCLZAOOLFPTHJ-HNNXBMFYSA-N 276.405 3.649 30 20 CHED CC(C)(C#N)c1ccccc1CN1[C@H]2C=CC[C@H]1CC2 372138794 UDHUNBYFMZFJER-HOTGVXAUSA-N 266.388 3.781 30 20 CHED N#Cc1ccc(C2=CCN(Cc3ccccc3O)CC2)cc1 374890692 BHBKDDGMRLHGAA-UHFFFAOYSA-N 290.366 3.553 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)cc1 280635658 MQPBWRIVJDPPAL-IYARVYRRSA-N 262.356 3.594 30 20 CHED C=CCC1(C(=O)Nc2nccc(C3CC3)n2)CCCCC1 637537767 IXHWSBMFUOBLFC-UHFFFAOYSA-N 285.391 3.819 30 20 CHED CC(C)CC1(C(=O)N[C@H](C#N)C(C)(C)C)CCCC1 464712533 OXYZKJINGHQGTK-CYBMUJFWSA-N 264.413 3.647 30 20 CHED N#CCCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 285551511 UQIDEOXFWKEVTK-KSZLIROESA-N 268.404 3.948 30 20 CHED C=C(C)[C@H](NCCN1CCCCC1)c1ccc(F)c(F)c1 469790720 LDAZJCOGLAKDAP-KRWDZBQOSA-N 294.389 3.658 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 464400555 CDGUJDBBPNRTOI-NXEZZACHSA-N 276.405 3.902 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(-c2ncco2)ccc1C 285711481 IMICJFHPRDIRCY-MRXNPFEDSA-N 283.331 3.528 30 20 CHED C=CC[C@@H](CC)NC(=O)N1Cc2ccccc2C[C@H]1CC 466366390 GZVHUWSILWMOTA-IAGOWNOFSA-N 286.419 3.888 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 468015415 DRTPMJOLKATILH-CRAIPNDOSA-N 273.420 3.953 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 460781690 VAKRPKDBXPEEHJ-UONOGXRCSA-N 276.428 3.602 30 20 CHED N#Cc1ccc(CN2CCCc3cccc(F)c32)s1 557816933 NFDXSJQATQUKJJ-UHFFFAOYSA-N 272.348 3.712 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1CCC(C)C 281004222 GJSPPMFVBHKLML-ZDUSSCGKSA-N 274.364 3.501 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(N3CCCC3)cc2)no1 288966485 BAHLHTLAZXYTOY-KRWDZBQOSA-N 296.374 3.528 30 20 CHED N#Cc1cc(N2CC[C@H](CC3CC3)C2)nc2ccccc12 558989454 UAPQTFJOFKDZKS-CQSZACIVSA-N 277.371 3.733 30 20 CHED N#Cc1ccnc(N2CC3C[C@H]4CC2C[C@@H](C3)C4)c1Cl 557558114 PSEOPTFUMXCLCP-KCXRBIIJSA-N 287.794 3.622 30 20 CHED C=CCCCCCCNC(=O)N1CCn2cccc2[C@@H]1C 807570142 OQZINAIHNRUBPI-HNNXBMFYSA-N 289.423 3.711 30 20 CHED CCC1(CC)CN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 297339479 OCGOJIBJYZOFJH-MRXNPFEDSA-N 299.418 3.863 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(N2CCCCCC2)cc1 801776506 WTAXAEVFYNTGIO-HNNXBMFYSA-N 299.418 3.552 30 20 CHED C=CCNC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 471488158 LIRQSEBARXYLMH-UHFFFAOYSA-N 292.810 3.589 30 20 CHED Cc1cccc2[nH]c(COC(=O)CCCCCC#N)cc12 805892249 JGCXLIQHYTYPEN-UHFFFAOYSA-N 284.359 3.994 30 20 CHED C#Cc1ccc(CN(C)[C@H](C)c2sc(C)nc2C)cc1 809572439 NAPLIQOCAULEFF-CYBMUJFWSA-N 284.428 3.934 30 20 CHED C=CCCCCNC1CCN([C@H]2CCC[C@@H](C)C2)CC1 471610785 NVBBXDIKSFUDLD-AEFFLSMTSA-N 278.484 3.975 30 20 CHED Cc1ccc(N(CCC#N)C(=O)CCC(C)C)cc1 299255746 GXNQZSGTHCUCGQ-UHFFFAOYSA-N 258.365 3.678 30 20 CHED N#CC1(C(=O)Oc2cccc(-c3ccncc3)c2)CCCC1 297619105 BIILFFFZXQMKDF-UHFFFAOYSA-N 292.338 3.738 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2cccc(Cl)c2F)no1 290251192 ZQXVIJOUBLCXSU-AWEZNQCLSA-N 293.729 3.644 30 20 CHED CC[C@@H]1CN(c2ccnc(C#N)c2)CC[C@@H]1c1ccccc1 561263092 PJHUCSBRZKILNI-BEFAXECRSA-N 291.398 3.973 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 560767981 HNWQYIFEEMPBES-MJQMVNBJSA-N 296.414 3.603 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 644570846 CHFODOJSYZZNBS-UHFFFAOYSA-N 296.414 3.963 30 20 CHED C=CCC(C)(C)c1nc(Cc2csc(CC)n2)no1 291809197 CMPBMGLZUKOXKH-UHFFFAOYSA-N 277.393 3.533 30 20 CHED Cc1cccc(F)c1CNc1nc(Cl)c(C#N)s1 804510805 LQHNMXBUPSCBFS-UHFFFAOYSA-N 281.743 3.728 30 20 CHED C[C@H](SCc1ccc(CC#N)cc1)C(=O)OC(C)(C)C 479709436 FPPJAAJDSUVJOS-LBPRGKRZSA-N 291.416 3.716 30 20 CHED N#CCCCCCC(=O)Nc1ccc(Cl)c(Cl)n1 808754668 XJKQFUXLTMKAIT-UHFFFAOYSA-N 286.162 3.801 30 20 CHED C#Cc1ccc(CNC2CCN(C3CCCCC3)CC2)cc1 809625332 BSDQGIUJKIHTJH-UHFFFAOYSA-N 296.458 3.555 30 20 CHED N#Cc1sc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)nc1Cl 804344277 OQECAACTZAKNLN-SAVGLBRCSA-N 293.823 3.905 30 20 CHED C=CCCCCCCNC(=O)NCc1ccc(Cl)nc1 804934346 TXTODJULNOYFPT-UHFFFAOYSA-N 295.814 3.671 30 20 CHED C#CCCCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 801601531 IUALESFOAMWZOB-BCDXTJNWSA-N 253.389 3.810 30 20 CHED C=CCCCC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl 479598916 MVTAJRLPVNTGNQ-GWCFXTLKSA-N 281.758 3.808 30 20 CHED C=C[C@@H](CC(=O)NCCC(C)(F)F)c1ccccc1 295555579 KTLOWUSIARJVCX-LBPRGKRZSA-N 267.319 3.508 30 20 CHED Cc1cc(Cl)cc(C=NNCc2ccc(C#N)cc2)c1 814882495 IXLKQLQLQNXGBA-UHFFFAOYSA-N 283.762 3.644 30 20 CHED CC1(C)CCCN(CCCc2ccc3c(c2)CCO3)[C@H]1C#N 482463245 MCVCOAGQORJZPA-SFHVURJKSA-N 298.430 3.568 30 20 CHED COc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc1F 811693012 FMRPFGZLFASTTB-MKMNVTDBSA-N 293.297 3.528 30 20 CHED CCC(=NNc1ccc(Br)nc1)c1ccco1 814847560 SUEUCZKDJZCWPW-UHFFFAOYSA-N 294.152 3.663 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NN=C1CCC[C@@H](C#N)C1)C2 814919099 LBKUNXZDGKBJDV-RMRKRWHISA-N 273.424 3.861 30 20 CHED Clc1cc(Cl)cc(NN=Cc2nccs2)c1 814913484 RMGBNFRJGOLWIB-UHFFFAOYSA-N 272.160 3.896 30 20 CHED C[C@H](OC(=O)[C@H]1CCCCCC(=O)C1)c1ccc(C#N)cc1 811386106 NHMAIZKGQCRZBV-BBRMVZONSA-N 299.370 3.702 30 20 CHED CC[C@@H](CNCCC#N)Cc1cccc(Br)c1 566555969 CINHMXCJTKBYDW-GFCCVEGCSA-N 295.224 3.521 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)c1ccccc1Cl)OCC 489571779 LSMQMERLCPVTDS-IUODEOHRSA-N 295.810 3.889 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCCCN(C)C1CC1 658029817 AXKSAZRBAOJYQJ-WBVHZDCISA-N 264.457 3.585 30 20 CHED C#C[C@@H](C)NC1CCC(O)(c2ccc(C(C)C)cc2)CC1 816607447 SPASXTPLGROYIS-VNCLNFNDSA-N 285.431 3.552 30 20 CHED C=CCCCCCCCNC(=O)/C=C/c1cccnc1 813256341 CLUBODNAKWCBKQ-VAWYXSNFSA-N 272.392 3.738 30 20 CHED CC[C@H](CNCc1ccc(C#N)c(OC)c1)c1ccccc1 579533320 QCMRORLBRQZCBR-MRXNPFEDSA-N 294.398 3.850 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc2c(c1)CCO2 812242712 ZJTLNJGCJQVAJO-GORDUTHDSA-N 298.313 3.665 30 20 CHED Oc1cc(OCc2ccccc2)ccc1C=NOC1CCC1 812234931 CUNSSHRXSYSALM-UHFFFAOYSA-N 297.354 3.874 30 20 CHED C#CCCCCCc1nc(C2(COC)CCCCC2)no1 810326932 ZMIOMNPIIHTCBM-UHFFFAOYSA-N 290.407 3.654 30 20 CHED Cc1cc(N2C[C@H](C)C[C@H]2c2ccccc2)cc(C#N)n1 578897787 SMYTWTOQYDCOOQ-ACJLOTCBSA-N 277.371 3.849 30 20 CHED CC(=NOCC1CC1)c1sc2nc(C)nc(C)c2c1C 814244935 OHTLYHWJIYREKT-UHFFFAOYSA-N 289.404 3.767 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc2ccncc2s1 658029942 NDDRXOHEUPBTLQ-BNOWGMLFSA-N 288.416 3.681 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc2cccc(Cl)c2s1 571286021 HWHGPCJTGTWAKR-CQSZACIVSA-N 292.791 3.977 30 20 CHED CC(=NOCCOC(C)C)c1ccc(Cl)s1 812239165 NWXXVUCQAYAJLJ-UHFFFAOYSA-N 261.774 3.567 30 20 CHED C=C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(OCC)c1 486500769 VMVLEWWYJNXFGH-GFCCVEGCSA-N 276.336 3.538 30 20 CHED CCC(CSc1ccccc1[N+](=O)[O-])=NOCC1CC1 814241658 MPMVBLDWQQLIEA-UHFFFAOYSA-N 294.376 3.880 30 20 CHED C=CCN(CCC#N)Cc1ccccc1N1CCCCC1 814171237 LZPSXOHQELSGTE-UHFFFAOYSA-N 283.419 3.579 30 20 CHED C=CCOc1ccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)cc1 480435578 UIOZXZAVOWRKQI-INIZCTEOSA-N 287.403 3.758 30 20 CHED CC(CC1CC1)=NNc1cc(Cl)nc(Cl)c1 819828746 OVTJGULGVSHUOQ-UHFFFAOYSA-N 258.152 3.976 30 20 CHED C=CCC(F)(F)C(=O)Oc1ccccc1Br 814812764 MHXFQETZVCPRQB-UHFFFAOYSA-N 291.091 3.566 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cccc(Cl)c1 489974819 AWKVNJVIKOQZGU-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C=C(C)CCN1CCC[C@@H]1c1ccc(Br)cn1 577045455 PJIVJATYOGYRGA-CQSZACIVSA-N 295.224 3.947 30 20 CHED N#CCCCCCC(=O)OCC[C@@H]1CC1(Cl)Cl 820666062 ZTYURUFRPJKLHZ-SNVBAGLBSA-N 278.179 3.588 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC2(CCC2)[C@@H]1C(C)C 820216841 YBPFEPKREUFQOA-INIZCTEOSA-N 282.387 3.517 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](C)CCC(C)C)cc1 497666024 MDFUZMOOEIZYHU-CQSZACIVSA-N 275.392 3.806 30 20 CHED C=CCOCC(=O)N[C@@H](CCCCC)c1ccccc1 729374731 XANWAOWKGSFIMR-INIZCTEOSA-N 275.392 3.627 30 20 CHED CCc1c(Nc2ncccc2C#N)cnn1CCC(C)C 491758480 FHUKMNMZIGFWDD-UHFFFAOYSA-N 283.379 3.502 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC[C@H](C2CCCCC2)C1 660681674 UAGFYCMONSOXET-HIFRSBDPSA-N 264.413 3.563 30 20 CHED C[C@@H]1CCCC[C@H]1[C@@H](C)NCc1ccc(OCC#N)cc1 823830837 GHVPILHASYNCMR-IIDMSEBBSA-N 286.419 3.893 30 20 CHED CCSc1cccc(/C=C\C(=O)c2cc3n(n2)CCC3)c1 901561652 VDZOBRDERLNXIT-HJWRWDBZSA-N 298.411 3.837 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)CC(C)C 822809155 QCHBYXMYJWYXEC-HUUCEWRRSA-N 264.413 3.601 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(N(C)C(=O)CC)cc1 829340274 ANTHEGJGYNZMBB-CYBMUJFWSA-N 288.391 3.600 30 20 CHED C=CCn1cccc1C(=O)N(C)c1cc(C)cc(C)c1 490077442 DSSZMAARZGFTCM-UHFFFAOYSA-N 268.360 3.568 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2CCC(F)(F)C2)CCC1 909276788 ZDCWWSMXUMUOGY-GFCCVEGCSA-N 285.334 3.829 30 20 CHED N#CC1(CCCCOC(=O)[C@H]2CC23CCC3)CCC1 909073808 ISGHNZFCSNCTMP-CYBMUJFWSA-N 261.365 3.584 30 20 CHED CC[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)C(C)(C)C 582035121 KZUORRNARXMXBQ-ZDUSSCGKSA-N 261.325 3.703 30 20 CHED C=CCN(Cc1ccc(-c2ccc(C(=O)O)cc2)o1)C1CC1 902530062 ZYUGPOJTTOZMJG-UHFFFAOYSA-N 297.354 3.795 30 20 CHED C[C@H](C=NNC1CCCC1)c1cc(F)cc(F)c1 834954538 ZBRQDEBGHJUWOB-SNVBAGLBSA-N 252.308 3.586 30 20 CHED C=CCCC(=O)N(C)Cc1cccc2ccccc12 588022753 BARCKWCEYFUGFG-UHFFFAOYSA-N 253.345 3.764 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H](C)c1cnccn1 906364537 RGWIOSJCLNQJBW-LSDHHAIUSA-N 291.439 3.693 30 20 CHED C[C@@H](CC(C)(C)C)NCc1ccc(N(C)CCC#N)cc1 835066250 XBVNKVJCLALMQQ-HNNXBMFYSA-N 287.451 3.951 30 20 CHED Cc1cccc(C=NN[C@H](C)c2ccccc2)c1C 731151262 KQJALUMFFVQGEZ-OAHLLOKOSA-N 252.361 3.988 30 20 CHED N#Cc1ccc(F)c(COC(=O)[C@@H]2CCCCC2(F)F)c1 835201565 DFSYRZKKKOPEOG-LBPRGKRZSA-N 297.276 3.566 30 20 CHED N#Cc1cccc(Cl)c1N1CCC(C2CC2)CC1 589874141 ZRMPUMPXEQBVIL-UHFFFAOYSA-N 260.768 3.838 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839061426 CZVAPUDFOKCZCT-KGLIPLIRSA-N 286.375 3.753 30 20 CHED Cc1cccc2oc(C(=O)OCC3(CC#N)CC3)cc12 909552375 BJOBDGGULYZVNZ-UHFFFAOYSA-N 269.300 3.592 30 20 CHED CCc1cccnc1C(=O)OCCCCC1(C#N)CCC1 909126985 FSHWFANDCHMQBK-UHFFFAOYSA-N 286.375 3.665 30 20 CHED Cn1ccc2c(NCC#Cc3ccc(F)cc3)cccc21 676352692 CRURPRQZAPTEJK-UHFFFAOYSA-N 278.330 3.781 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccc(/C=C\C(=O)O)o1 902349161 DBKDGZTUGLLGPZ-XONSNMTISA-N 289.375 3.602 30 20 CHED CC(=NNC1CCCC1)c1ccccc1OC(F)(F)F 730946966 WHOJLSSWHLUXPP-UHFFFAOYSA-N 286.297 3.841 30 20 CHED C#C[C@H](C)N(C)C(=O)c1c(Cl)cc(Cl)cc1Cl 839338709 AUHLIOZBKPXBNB-ZETCQYMHSA-N 290.577 3.741 30 20 CHED Cc1cccc(-c2cccc(C(=O)NC3(C#N)CCC3)c2)c1 906425193 OKNHEENIYAEDFJ-UHFFFAOYSA-N 290.366 3.838 30 20 CHED C=CCC[C@@H](C(=O)NCc1coc(CC)n1)c1ccccc1 836979859 JDXQNMOVSMHJRI-MRXNPFEDSA-N 298.386 3.603 30 20 CHED CCC1(C(=O)N(O)Cc2cccc3ccccc23)CC1 901371175 OGFMEDZDOQQZDL-UHFFFAOYSA-N 269.344 3.748 30 20 CHED N#CC1(CCCCOC(=O)c2cccc(F)c2F)CCC1 908974762 JEZYJJAIIKBEGH-UHFFFAOYSA-N 293.313 3.986 30 20 CHED C#CCCCN[C@@H](C)c1ccc(Oc2ccccc2)cn1 834606027 CMEGMCBIPATUPU-HNNXBMFYSA-N 280.371 3.938 30 20 CHED CC[C@H](OC(=O)c1cc(C#N)[nH]c1C)c1cccc(OC)c1 835178884 PRUWOQLJERWZRQ-INIZCTEOSA-N 298.342 3.512 30 20 CHED Cc1ccc2c(c1)C(=NNc1cccc(F)c1)CC2 730946688 ISKQIHZQGWADQX-UHFFFAOYSA-N 254.308 3.897 30 20 CHED CC(C)ON=Cc1csc(-c2cccs2)n1 835000680 PWLVJBGGTUFIQW-UHFFFAOYSA-N 252.364 3.631 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)C[C@H]1CCCCO1 839434336 DGFJMIDZSBMVTR-MRXNPFEDSA-N 294.354 3.609 30 20 CHED CC(C)(C)N(Cc1ccsc1)C(=O)CCCC#N 598853480 OHTXMTHXCWVSOP-UHFFFAOYSA-N 264.394 3.569 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC12CCCCC2 594000679 JPWKWRJKQWUPLK-PBHICJAKSA-N 296.414 3.576 30 20 CHED Cn1cc(-c2ccc(C3(C#N)CCCCC3)cc2)cn1 592986152 VMGMIZVCOWNTQJ-UHFFFAOYSA-N 265.360 3.813 30 20 CHED CCCc1ccc(C(=O)/C=C\c2ncc(Cl)n2C)cc1 834408025 HLPOGDUMKXNYTR-KTKRTIGZSA-N 288.778 3.922 30 20 CHED Cc1cc(N(C)C)ccc1CNc1ccc(CC#N)cc1 840938290 AWFRUMOAHQXJRP-UHFFFAOYSA-N 279.387 3.739 30 20 CHED CC(C)=CCCSCC(=O)Nc1cccc(C#N)c1 596421592 ASDIROTVPSDXFA-UHFFFAOYSA-N 274.389 3.586 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cnn(C)c1CC 917871667 SXNVGULGJHQQIB-AWEZNQCLSA-N 293.455 3.709 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 597176972 KVZRXXOCLGIFOH-LLVKDONJSA-N 298.308 3.553 30 20 CHED C[C@@H]1CCC[C@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)C1 748686654 ZOTGKYUVBOEGTM-IOASZLSFSA-N 271.360 3.989 30 20 CHED C=CCN(C(=O)N[C@H](c1ccccc1)C(C)C)C(C)C 918059782 MVNGSESNRHYOAO-INIZCTEOSA-N 274.408 3.990 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccsc1 749100005 XVIFUHCLRVPRLP-UHFFFAOYSA-N 252.289 3.862 30 20 CHED CC(C)c1cccc(NC(=O)N2CCC[C@H](CC#N)C2)c1 596654285 ZZHCQHGYQMWYAN-CQSZACIVSA-N 285.391 3.968 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(-c3ccc(F)cc3)no2)C1 595610986 FNKICFCNFLLNJE-CYBMUJFWSA-N 299.349 3.606 30 20 CHED C=C(Cl)CSCCCOc1ccc(OC)cc1 913396299 XFYKOTQOQQPVCK-UHFFFAOYSA-N 272.797 3.950 30 20 CHED C=CCN(C(=O)[C@H](C)Sc1ccc(OC)cc1)C(C)C 917659344 WWRXSLYGVPQQSN-ZDUSSCGKSA-N 293.432 3.599 30 20 CHED C/C(=C/C(=O)NCC1(C#N)CCC1)c1cccc(Cl)c1 841466626 DJLHOJOKGXTKBO-WQLSENKSSA-N 288.778 3.553 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(N(C)C)nc1 684410871 BRPKKKZWWDLUKR-UHFFFAOYSA-N 295.430 3.726 30 20 CHED Cc1cc(C)cc(C=NNc2oc(C(C)(C)C)nc2C#N)c1 746498340 MKNOKZCDWBJNLW-UHFFFAOYSA-N 296.374 3.907 30 20 CHED Cc1ccc(C=NNc2ccc(Cl)nc2)s1 743450411 KOFJTCOKKWEZPF-UHFFFAOYSA-N 251.742 3.551 30 20 CHED Cc1cnc(C[S@](=O)CCC2(C#N)CCCCC2)s1 841721393 AQZVRXNZPGCPRD-LJQANCHMSA-N 296.461 3.564 30 20 CHED C=C(Cl)COc1ccc(NC(=O)c2ccco2)cc1 916610080 SDYFCFRFCUBNER-UHFFFAOYSA-N 277.707 3.663 30 20 CHED CC#CCCSCc1ncsc1Br 596420938 BYXKEMVACOOLIZ-UHFFFAOYSA-N 276.224 3.552 30 20 CHED C=CCCSCCNCc1c(C)nn(C(C)(C)C)c1C 594960347 OPBXXQBZBWULCY-UHFFFAOYSA-N 295.496 3.654 30 20 CHED C[C@@H]1CN(C(=O)CCCC#N)CCc2ccc(Cl)cc21 593291529 HGVPZOWIQDKZFH-GFCCVEGCSA-N 290.794 3.522 30 20 CHED C[C@@H]1CC(NCc2ccc(N(C)CCC#N)cc2)C[C@@H](C)C1 740018488 UXURYSDADSJGIQ-HOTGVXAUSA-N 299.462 3.951 30 20 CHED C=CC[C@H]1N(C(=O)c2coc(C3CC3)n2)CCCC1(C)C 683458154 YKCTURXEBDRGKJ-CQSZACIVSA-N 288.391 3.759 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)Cc1ccncc1 749487124 YTIPDSOGELDETE-HNNXBMFYSA-N 276.424 3.879 30 20 CHED C=CCCCC(=O)Oc1cccc(OCC(F)(F)F)c1 748673840 LYWQQFLWPNOVCA-UHFFFAOYSA-N 288.265 3.889 30 20 CHED C=C(C)CNC(=S)N1CC(C)(C)[C@@H]1c1ccccc1 920074531 FBRKCMONJKOVMQ-AWEZNQCLSA-N 274.433 3.520 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cccc3c1OCO3)C2=O 921268691 DGTFCYXFKUHLBY-ZSOIEALJSA-N 278.307 3.546 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc(Br)cc1 755823724 NSHDCDLFJNPLFN-CYBMUJFWSA-N 298.180 3.716 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC12CCC2)c1ccc2ccccc2n1 759815905 VBSZOLGIJTWKSC-KBPBESRZSA-N 276.339 3.601 30 20 CHED Fc1ccccc1NN=Cc1cnc([C@H]2CCCO2)s1 755628891 NWJWRHSGMAIVPV-CYBMUJFWSA-N 291.351 3.580 30 20 CHED CCOc1ccccc1CN[C@H](C)CC(C)(C)C#N 924743178 VHASXBBMFBPCRS-CYBMUJFWSA-N 260.381 3.503 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1ccc(C#N)cc1C(C)=O 857626517 KTWVXFDRLBLOCL-INIZCTEOSA-N 290.338 3.618 30 20 CHED C#CC[C@@H](CCOC)Nc1cc(C)nc2c(F)cccc12 858857785 XYZOCDSLDJHYAY-ZDUSSCGKSA-N 286.350 3.523 30 20 CHED COc1cc(F)cc(NN=Cc2ccc3ccccc3n2)c1 759205311 DLAUPHJKEXDFCB-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)C1CCCC1 851210273 SZYOSRPRTCWKAU-NWDGAFQWSA-N 251.370 3.684 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(O)c(OC)c1 757460610 YQFUMJIPSJLBER-UHFFFAOYSA-N 284.359 3.799 30 20 CHED Fc1ccc2[nH]c3c(c2c1)C(=NOCC(F)F)CCC3 758912993 ZKPMYLLJZKRSLR-UHFFFAOYSA-N 282.265 3.629 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(O)c(F)c1 755592268 HDYYWVUGURCYJT-KXFIGUGUSA-N 274.266 3.875 30 20 CHED C=CC[C@H]1CCCCC1=NNc1ncncc1Cl 853335693 CVEVHKBKSKGYBR-JTQLQIEISA-N 264.760 3.664 30 20 CHED C=CCON=Cc1ccc(OCc2ccccc2)c(OC)c1 754779557 ZDLRHWOSJRPPMX-UHFFFAOYSA-N 297.354 3.811 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1CCc2c(OC)cccc21 759641709 FZIMRGFDSIUGMX-VUQQOUJSSA-N 297.354 3.516 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2ccc3c(c2)CCO3)c1 757469062 YXMHZEJVMZYZIR-ZZXKWVIFSA-N 280.323 3.532 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(C)c(F)c2)c1 759213316 YGCFWKKFTRHWJY-UHFFFAOYSA-N 276.286 3.728 30 20 CHED C#CCCCOC(=O)/C(C)=C/c1cccc(Cl)c1 759252618 SYTBYZSIJRAUCY-ZRDIBKRKSA-N 262.736 3.700 30 20 CHED C#Cc1cccnc1NCC(C)(C)c1cccs1 853336161 QLZDMWDOQFWWNT-UHFFFAOYSA-N 256.374 3.514 30 20 CHED C[C@H](C=NNc1nc2ccccc2[nH]1)c1ccc(F)cc1 756869944 CGRFTNOYRZQTAD-LLVKDONJSA-N 282.322 3.903 30 20 CHED Fc1ccc([C@@H]2CCCC2=NO[C@H]2CCCCO2)cc1 755814681 NMRYETMNYJJRFP-HOCLYGCPSA-N 277.339 3.992 30 20 CHED Cn1c(NN=CCCc2ccccc2)nc2ccccc21 755649696 YJZWCCUYDCESMI-UHFFFAOYSA-N 278.359 3.604 30 20 CHED Cc1cccc2c1CCN([C@@H](C#N)c1ccccc1)C2 851753175 SWOZDXBTGYNDQL-SFHVURJKSA-N 262.356 3.618 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCc3ccc(Cl)cc32)C1 858582984 VPHBGCJMOLMWBG-WPGHFRTFSA-N 274.795 3.999 30 20 CHED C[C@H]1CCC(=NOCc2cccnc2)c2ccccc21 752734689 KKZSWVQAQQJJGL-ZDUSSCGKSA-N 266.344 3.900 30 20 CHED C#CCCCNC(=O)c1cccc(-c2c(F)cccc2F)c1 757031946 AMNVHDOVBTVVOK-UHFFFAOYSA-N 299.320 3.775 30 20 CHED Clc1ccc(NN=Cc2scnc2C2CC2)nc1 853437998 YEAMDVSRWMUEAW-UHFFFAOYSA-N 278.768 3.515 30 20 CHED Cc1csc(C=NNCc2ccc(C(F)(F)F)cc2)n1 755658835 YEAULLPZRZNYHH-UHFFFAOYSA-N 299.321 3.594 30 20 CHED Cc1cc(F)ccc1/C=C1\COc2ccccc2C1=O 750893345 PGANGPUJFOTDLP-UKTHLTGXSA-N 268.287 3.793 30 20 CHED C=C[C@@H](OC(=O)c1cc(C(C)C)nn1C)c1ccccc1 851451034 BDJLUCVGGRQHDA-MRXNPFEDSA-N 284.359 3.628 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 935801199 XEWXLRUXZOTIGC-KWCYVHTRSA-N 279.330 3.539 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNc1ncccc1[N+](=O)[O-] 759202461 YJNXZLQEWZWDJK-JTQLQIEISA-N 276.340 3.604 30 20 CHED Fc1ccc(NN=Cc2coc(-c3ccccc3)n2)cc1 755472384 RATFXALHKWJBCR-UHFFFAOYSA-N 281.290 3.927 30 20 CHED C[C@H]1CN(C(=O)c2ccccc2CC#N)Cc2ccccc21 864543456 XABPDAWMDJRVMV-AWEZNQCLSA-N 290.366 3.512 30 20 CHED CC#CCCN1CCC(c2cc3ccccc3[nH]2)CC1 764953244 GKJOWAXSAGLVBF-UHFFFAOYSA-N 266.388 3.761 30 20 CHED C#CCC(C)(C)C(=O)OCc1csc(C2CCCC2)n1 767667925 ZOUNMOPAAALIFF-UHFFFAOYSA-N 291.416 3.893 30 20 CHED C=CCOCSc1nnc([C@H](CC)c2ccccc2)o1 865355433 MRVXSWWEKFZQKF-CYBMUJFWSA-N 290.388 3.864 30 20 CHED N#C[C@H](C(=O)CC(C1CCC1)C1CCC1)c1ccccn1 860469063 XEZNZEPQDJIZCD-INIZCTEOSA-N 282.387 3.864 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)nn1 767208487 LBPHSUSVURLVLD-TZMCWYRMSA-N 272.396 3.613 30 20 CHED Fc1cc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)cc(F)c1F 762424785 UEKFLQWEUPOBLP-GUBZILKMSA-N 268.282 3.938 30 20 CHED CC(C)c1cnc(SCc2ccc(OCC#N)cc2)[nH]1 863364457 NTVQRDOANKJROA-UHFFFAOYSA-N 287.388 3.728 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(C#N)s1 762450775 VVEGAAQJPHGQEC-UHFFFAOYSA-N 283.400 3.566 30 20 CHED C#CCCc1noc(-c2ccc(OCCC(C)C)cc2)n1 761999762 UMGGJIZGKLGJAA-UHFFFAOYSA-N 284.359 3.727 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 767121852 JPHQAIVDXBESMX-INIZCTEOSA-N 296.414 3.714 30 20 CHED C/C(=C/C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)C1CC1 769511129 YNJYHLZIMBIBIB-QBFSEMIESA-N 288.435 3.958 30 20 CHED C#CCCOC(=O)Cc1cc2c(ccc3ccccc32)o1 765503067 QWXNWLPBONXWFK-UHFFFAOYSA-N 278.307 3.695 30 20 CHED COc1ccsc1/C=C\C(=O)c1cc(C)ccc1O 764441695 IYKJGIXUCGLIIS-WAYWQWQTSA-N 274.341 3.667 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1C[C@@]12CCOC2 763424872 DCEQHVYGDFQHFN-ZMSDIMECSA-N 281.440 3.526 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C(C)(C)C1CCCCC1 768140875 YDKDRSLXRUOPOR-AWEZNQCLSA-N 264.413 3.647 30 20 CHED Cc1coc(C(=O)N(C)c2cc(Cl)ccc2C#N)c1C 1117502518 LPSCAOJWPGUSSL-UHFFFAOYSA-N 288.734 3.698 30 20 CHED Fc1ccccc1NN=CCCc1ccc2c(c1)CCO2 774368047 AXZOIEICOUJDSB-UHFFFAOYSA-N 284.334 3.791 30 20 CHED CON=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 771877700 WTSXNWYGNAIJCJ-UHFFFAOYSA-N 271.160 3.705 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(Cl)ccc1O 779167166 CVEKVONOQJGHSK-UHFFFAOYSA-N 291.778 3.869 30 20 CHED CSC(C)(C)CN[C@@H]1CCCc2cc(C#N)ccc21 775393163 DSAOWBLVDWAOJC-OAHLLOKOSA-N 274.433 3.667 30 20 CHED C#CCCCCCC(=O)N(C)c1cc(C)cc(C)c1 779852946 CNVMSRXRNPOQBP-UHFFFAOYSA-N 257.377 3.850 30 20 CHED O=C1/C(=C\c2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 776191940 GHXDVMVGNXPHPR-LCYFTJDESA-N 297.285 3.946 30 20 CHED Cc1cccc(NN=CC2([C@@H]3CCCCO3)CCC2)n1 872392954 FHZIIZVPFRQCLG-AWEZNQCLSA-N 273.380 3.527 30 20 CHED C#C[C@H](NC1c2ccccc2-c2ccccc21)[C@@H]1CCCO1 775790225 HHNSKKXSHSBLNN-OALUTQOASA-N 289.378 3.527 30 20 CHED CCc1c(C)sc(NC(=O)C2(F)CCCC2)c1C#N 776313113 BPGHLSXBFHVBAH-UHFFFAOYSA-N 280.368 3.711 30 20 CHED C#CCOc1ccccc1NC(=O)NC1(C)CCCCC1 776094655 HHRWIWUIPNCYNG-UHFFFAOYSA-N 286.375 3.543 30 20 CHED C#CCCCN1CCC[C@H](c2ccc(F)cc2)CC1 778243486 LYHZTALHTBIMTG-HNNXBMFYSA-N 259.368 3.809 30 20 CHED CCCCCCOc1ccc(C=Nn2ccccc2=O)cc1 776790592 AQBQWQZUDDRFFP-UHFFFAOYSA-N 298.386 3.690 30 20 CHED C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(C#N)cc1 777702215 RDSCHFMTEHGMEE-ZDUSSCGKSA-N 297.377 3.932 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cnc3ccc(C)cn13)C2=O 771858258 IWHJNLJSLJRSJM-DHDCSXOGSA-N 288.350 3.774 30 20 CHED C#CCCCCCC(=O)Nc1ccc(N(C)C)c(C)c1 779831493 DJZGJJOUMKZBRX-UHFFFAOYSA-N 272.392 3.583 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc2c(c1)CCCC2 776362623 DHOIPCGRMBJQQY-UHFFFAOYSA-N 271.360 3.662 30 20 CHED C#C[C@@H](C)NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 775385458 HWPHBLJCFBFCBS-SNVBAGLBSA-N 298.773 3.517 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2)[C@H]1Oc1ccccc1 774313955 WFVCEMHFOVWZTB-QZTJIDSGSA-N 296.370 3.711 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1ccnc(Cl)c1 779461367 YXDVIYLMUTTXFR-DUXPYHPUSA-N 279.673 3.909 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NOC1CCCCC1 779686924 BXBFDWVPRSBBOC-UHFFFAOYSA-N 288.391 3.649 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@]2(C)C(C)C)cc1 775824395 HAEYOERIFCWCGB-FUHWJXTLSA-N 284.403 3.924 30 20 CHED CCc1cnccc1C(=O)/C=C\C1=Cc2ccccc2OC1 776192503 QTTJMUVZEKBXDI-FPLPWBNLSA-N 291.350 3.859 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccccc1-c1ncco1 1123841062 ZSGUMBGMBCPUFU-UHFFFAOYSA-N 270.332 3.882 30 20 CHED CCc1cccc(Cl)c1C=NNc1ccnc(F)c1 788726661 YNVXOXFGNMAGQQ-UHFFFAOYSA-N 277.730 3.883 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 780772819 HPCCLPYGIFFJKT-HNNXBMFYSA-N 292.382 3.849 30 20 CHED C/C(=C/C(=O)N[C@H]1CCc2cc(C#N)ccc21)C(C)(C)C 786386153 LWPHXDBDPIESSP-CKDIWJPDSA-N 282.387 3.654 30 20 CHED C=C1CCC(C(=O)N(CC(F)(F)F)C2CCC2)CC1 889372673 GMWBRXBUENDUPP-UHFFFAOYSA-N 275.314 3.676 30 20 CHED C#CCCCCCC(=O)OCc1ccc([N+](=O)[O-])c(C)c1 781172100 UAYBFUOIMOMFJL-UHFFFAOYSA-N 289.331 3.530 30 20 CHED C[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccncc1 893845378 YDTOMLJSXLUFTM-ZDUSSCGKSA-N 272.348 3.550 30 20 CHED CC(C)(C#N)CC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 782835802 SPYMJEIJUHIAKI-KGLIPLIRSA-N 278.440 3.895 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2ccc(Cl)cn2)CC1 897493068 QFAWOISBGONOPS-NSHDSACASA-N 278.783 3.659 30 20 CHED FC(F)(F)[C@H]1CCCC(=NO[C@H]2CCCCO2)C1 783522335 QGEGNYPLIPVJHI-ONGXEEELSA-N 265.275 3.638 30 20 CHED C=C1CCC(C(=O)N(Cc2ccccn2)C(C)(C)C)CC1 890125295 TUFAINGHOHYLRR-UHFFFAOYSA-N 286.419 3.955 30 20 CHED Cc1cc(COC(=O)Cc2ccc(C#N)cc2)ccc1Cl 781174199 XWYKSDYMGLYUIK-UHFFFAOYSA-N 299.757 3.806 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 782231408 VCCAOOCBZYYCBW-GJZGRUSLSA-N 289.350 3.802 30 20 CHED Cc1ccc(C(=O)N(C)C2CCCCCC2)cc1C#N 799300456 VUGQPRFSWSVBHK-UHFFFAOYSA-N 270.376 3.662 30 20 CHED N#CCCCCCC(=O)Nc1cnc(Cl)cc1Cl 890997813 MCLFWPOIGUVKRJ-UHFFFAOYSA-N 286.162 3.801 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(C#N)cc1CC 799440883 NUZYGTYXCLZCGD-MRXNPFEDSA-N 257.333 3.628 30 20 CHED Clc1cccc(C=NNc2cccc(Cl)n2)c1 793181570 UMCHZWZAVBVIHS-UHFFFAOYSA-N 266.131 3.834 30 20 CHED C=CCC(C)(C)C(=O)OCc1cccc(NC(=O)CC)c1 797211751 IIDMOSYOXYMZHO-UHFFFAOYSA-N 289.375 3.681 30 20 CHED CC(F)(F)c1ccc(C(=O)OCCCSCC#N)cc1 796267822 HSBLQRDWYFZVHG-UHFFFAOYSA-N 299.342 3.602 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1ccnc(O)c1 790281535 IXPIFLWKAYBMCW-UHFFFAOYSA-N 295.264 3.642 30 20 CHED CC(C)C1CCC(C=NO[C@@H]2CCCCO2)CC1 794922751 LNZRLLZTPXQFBH-YMAMQOFZSA-N 253.386 3.978 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)COc2cc(F)ccc21 794728861 WLCMRLGSZMUOSD-BJMVGYQFSA-N 290.240 3.763 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(C)oc2ccc(OC)cc12 798554122 MOZPNSSUXXUNDV-GFCCVEGCSA-N 287.359 3.834 30 20 CHED COCCCON=Cc1cc2cccc(C)c2nc1Cl 795050717 GUVMASKLCSZGOP-UHFFFAOYSA-N 292.766 3.584 30 20 CHED COCC(=NNc1cc(Cl)cc(Cl)c1)C1CC1 790202773 YIZGXAZTSKWGQQ-UHFFFAOYSA-N 273.163 3.818 30 20 CHED Cc1ccccc1CC(=N)NO[C@@H](C)c1ccc(C#N)cc1 794719195 CEZUOYNLYOXWPH-AWEZNQCLSA-N 293.370 3.669 30 20 CHED C[C@@H]1CC[C@H](OC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 797240349 YSHFLVUGYSONEP-ABAIWWIYSA-N 289.350 3.707 30 20 CHED C=CCCCCOC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 797272860 POTXAGRIPZLCQF-WFASDCNBSA-N 294.416 3.898 30 20 CHED CCC[C@@H](C)OC(=O)C[C@@H](CC#N)c1ccccc1 795983135 URCLJXSUPBJBFI-UKRRQHHQSA-N 259.349 3.806 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H](CC)c1ccc(F)cc1 161341560 TVVRUUNXAHOUBN-SMDDNHRTSA-N 281.396 3.701 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1ccc(Cl)c(C#N)n1 1157883256 XUIKRNSOVZNTEC-NXEZZACHSA-N 251.761 3.843 30 20 CHED COc1cc(OCc2cccc(F)c2Cl)ccc1C#N 1307336976 QGHIABGXYBVNKX-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)Cn1ccnc1 59487446 WHTYSHKBKKSONJ-HUUCEWRRSA-N 251.418 3.610 30 20 CHED C=C(Cl)CNCc1cccc(C)c1Br 1177905992 WGCVXLCBNAAZDX-UHFFFAOYSA-N 274.589 3.600 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc(C(C)(C)C)nn1 1324646300 RXNMDCSDGHIPSP-LLVKDONJSA-N 274.412 3.998 30 20 CHED CCCCCCCNCc1ccc(OC)c(C#N)c1 703772402 VKROQJRLMLNBIV-UHFFFAOYSA-N 260.381 3.627 30 20 CHED C=C(C)CONC(=O)Nc1ccc(C)c(Cl)c1Cl 1326716934 ZABIWUOWAGDZTO-UHFFFAOYSA-N 289.162 3.931 30 20 CHED C[C@@H]1C[C@@H](CCN=c2cc[nH]cc2C#N)CC(C)(C)C1 1186315815 KEDSJFBDDBGAOF-ZIAGYGMSSA-N 271.408 3.640 30 20 CHED C[C@H](C#N)N(Cn1cc(-c2ccccc2)oc1=S)C1CC1 1330044543 DRTITOYBDGNCLU-GFCCVEGCSA-N 299.399 3.812 30 20 CHED C=C[C@H]1CCCCN1C(=O)C(F)(F)c1ccccc1C 1256130283 CSBSZOPNWVZKFI-ZDUSSCGKSA-N 279.330 3.654 30 20 CHED C=C[C@H](C)N[C@H]1CCc2c(Br)cccc21 91370181 MYKYRWCSTATPOM-ZANVPECISA-N 266.182 3.601 30 20 CHED Cc1ncc([C@H](C)Nc2cc(C#N)cc(Cl)n2)s1 1339791914 BQXXIBNRBHSDMF-ZETCQYMHSA-N 278.768 3.545 30 20 CHED Cc1cc(SCc2ccncc2F)ccc1C#N 1189584632 WYPWXMNOEDTHDC-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C[C@@H](CCC#N)CNCCc1ccc(OC(C)(C)C)cc1 1331724176 CAYZEQWMXVARHG-HNNXBMFYSA-N 288.435 3.936 30 20 CHED N#Cc1ccc(-c2nnc(CC3=CCCCC3)o2)cc1 1341532360 PPMIFGWCTGUDTA-UHFFFAOYSA-N 265.316 3.651 30 20 CHED C=C[C@H](C(=O)N1CCC(F)(F)C[C@H]1C)c1ccccc1 1347352719 QVTGIMNOALQJTI-OCCSQVGLSA-N 279.330 3.602 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC)cc1Br 1347035158 DHSPVGDVEFJCSK-UHFFFAOYSA-N 298.180 3.753 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)C1CCCCCC1 1268832826 TUPYCFNWINODOF-AWEZNQCLSA-N 284.403 3.955 30 20 CHED N#CC1(COC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 1344784186 BFAOYHJMNPAAEU-OWOJBTEDSA-N 296.153 3.854 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 1346312022 MDSIPODLCROSTO-HNNXBMFYSA-N 269.348 3.521 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CC[C@H](C(C)(C)C)C1 1346269478 JPSBUIWUVHGMED-NSHDSACASA-N 298.381 3.664 30 20 CHED N#Cc1ccnc(C(=O)Nc2cc(Cl)ccc2Cl)c1 1351776060 UFHPPTKYCLPFSI-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)c1ccccc1 1355049141 XIMSYVUCDGYYFO-UHFFFAOYSA-N 264.328 3.533 30 20 CHED N#Cc1cc(C(=O)O[C@H]2CCc3cc(F)ccc32)cs1 1457410018 UJHMDQTUVQQLGJ-AWEZNQCLSA-N 287.315 3.603 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2ccc(CC#N)cc2)[C@@H]1C 1527767175 IFJUQVLHRCCZSN-XJKCOSOUSA-N 271.360 3.734 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 1457196041 XLICARGALZCYKS-XNRPHZJLSA-N 271.360 3.989 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)CC[C@@H](C)c1ccccc1 1526586777 CZDNIBNHLMEYNR-GDBMZVCRSA-N 295.386 3.663 30 20 CHED C=C(C)C[C@@H](C)C(=O)OCc1c(Cl)cccc1C(=O)O 1602746506 CMSOLPABCDOEFQ-SNVBAGLBSA-N 296.750 3.684 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)cc1F 1522283798 ZQOGOYVNEROSCV-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCc1cccc(C(C)C)c1NC(=O)CCCC(=O)O 1609463838 BFKINUZSQMMWTI-UHFFFAOYSA-N 289.375 3.732 30 20 CHED C=CC[C@@H](SCc1ccc(C)c(C)c1)C(=O)O 1602849008 KBGVGZJHJIURHD-CYBMUJFWSA-N 250.363 3.566 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](C)Cc2cccc(F)c2)c1 1460862003 GHOHMZDQVMRQQS-CYBMUJFWSA-N 296.345 3.823 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)O[C@H]1CCC[C@H](C#N)C1 1460793424 CTPUFRUNVIKDRF-BARDWOONSA-N 263.381 3.828 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1ccc(Cl)cc1 1538483839 UHOBGMJESVFNHR-UHFFFAOYSA-N 290.775 3.940 30 20 CHED CO[C@@H]1CCC[C@H](Sc2ccc(C#N)c(C)c2)C1 1473049072 MQALVIUOZSTUKY-KGLIPLIRSA-N 261.390 3.916 30 20 CHED CN(c1c(C#N)cccc1C#N)C1CCC(C)(C)CC1 1559132854 IBMULQGMYAPGJA-UHFFFAOYSA-N 267.376 3.835 30 20 CHED C[C@@H](NC(=O)c1ccccc1CC#N)c1ccccc1Cl 1556479848 UIDKPOYIMQWPIR-GFCCVEGCSA-N 298.773 3.897 30 20 CHED N#Cc1ccc(Oc2nc3cccc(F)c3o2)c(F)c1 1639625326 BWLRPJRUSRNVPN-UHFFFAOYSA-N 272.210 3.770 30 20 CHED CC(C)(CNCc1cccc(F)c1C#N)C1CCC1 1560837293 NMLJBHVZURIKCS-UHFFFAOYSA-N 260.356 3.613 30 20 CHED C[C@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC1(C)C 1633668238 XHMUTGMWGLANOC-GOEBONIOSA-N 284.403 3.578 30 20 CHED N#Cc1ncccc1SCc1ccc2ncccc2c1 1643929126 OXYRALSXAZSWRL-UHFFFAOYSA-N 277.352 3.794 30 20 CHED N#CCC1(CN2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)CC1 1652421354 OYTGWKBDLDXGGL-NXOAAHMSSA-N 272.436 3.971 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(=O)O)c(F)c2)CCCC1 1588764704 GSCAVFGIYBDILZ-UHFFFAOYSA-N 291.322 3.599 30 20 CHED N#Cc1cc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(F)cc1F 1597367200 RKDUPIALIPHJIK-GARJFASQSA-N 290.313 3.601 30 20 CHED C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)CC[C@H]1C 1639655129 BSEITPCHVZIPLV-CHWSQXEVSA-N 271.408 3.733 30 20 CHED COc1ccc(C(C)=NNc2cccc(C(=O)O)c2)c(C)c1 1776037703 WMBYYFQVJXSFAA-UHFFFAOYSA-N 298.342 3.538 30 20 CHED Cc1ccc(C(=O)/C=C\c2csc(C(=O)O)c2)c(C)c1 1776132669 BFQNDKDSBBMESN-XQRVVYSFSA-N 286.352 3.959 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(Cc2ccccc2C(C)C)C1 1776162280 VQDNYGMKQZTWQA-GOSISDBHSA-N 287.403 3.663 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1cccc2ccccc12 161231592 RQSIDELPYGPCIF-ZDUSSCGKSA-N 268.360 3.776 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cccn2C(C)C)cc1 161916791 ATCIEWORJHAKBH-UHFFFAOYSA-N 295.386 3.938 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C)c(-c2ncco2)c1 162078628 OGWCNIMLXKHEJF-UHFFFAOYSA-N 297.358 3.575 30 20 CHED COc1ccc([C@H](C)N(C)Cc2ccc(F)c(C#N)c2)cc1 160661700 XIRJECNIUUWODM-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED N#Cc1cccc(CN[C@@H]2CSCCc3ccccc32)c1 151391036 HRUHFTYHYLTNOO-GOSISDBHSA-N 294.423 3.678 30 20 CHED C=C(C)CN(CC)C(=O)c1cnc(C)c(Cl)c1Cl 151971548 VKIZGFWXUGBXHO-UHFFFAOYSA-N 287.190 3.735 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 153289365 YKOSRQQMPWSAEC-UHFFFAOYSA-N 291.351 3.805 30 20 CHED N#CCc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 153831918 WFXGMSXINAXIEK-UHFFFAOYSA-N 295.729 3.530 30 20 CHED CCOc1ccc(N(C)C(=O)C2(C#N)CCCCC2)cc1 155155510 HZZOVWWDZICLDX-UHFFFAOYSA-N 286.375 3.522 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)CC1(C#N)CC1 258961597 RTUXEDCQSSHQOI-UHFFFAOYSA-N 256.393 3.720 30 20 CHED C#CCCCCC(=O)Nc1cccc(-c2nccs2)c1 119649553 LIGPWKDEANBPQO-UHFFFAOYSA-N 284.384 3.942 30 20 CHED C[C@@H]1CCC[C@H](NCc2ccc(F)c(C#N)c2)[C@@H]1C 229591919 QEGUZOQPZUMYBU-HSMVNMDESA-N 260.356 3.612 30 20 CHED CCCCC1CCC(C(=O)N(CC)C[C@@H](C)C#N)CC1 42296877 VWSNLUUBCUEIFL-FHERZECASA-N 278.440 3.991 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1ccc(C#N)cc1 45026973 CXIQPVMFQXJLJV-LBPRGKRZSA-N 259.353 3.504 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1ccoc1 178089949 GNFFZAPASKZDAD-CYBMUJFWSA-N 257.333 3.695 30 20 CHED COc1ccc(Cl)cc1NCc1ccc(C#N)c(F)c1 190312305 WFOZWLLQCGYVBE-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)[C@H]1CN(CCCCC(C)(C)C#N)CCS1 409445545 NFNFOFHNXUTHBR-CQSZACIVSA-N 268.470 3.780 30 20 CHED C=CCCCN1CCCN(Cc2ccccc2)C[C@H]1C 525409047 RDBLDGDDRPOUIC-QGZVFWFLSA-N 272.436 3.549 30 20 CHED N#Cc1cnc(N2CC[C@@H](C3CCCC3)C2)c(Cl)c1 420615406 DENKVBFIIOABLB-CYBMUJFWSA-N 275.783 3.623 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 444751004 AMSRMGREDNEWPW-KRWDZBQOSA-N 256.393 3.621 30 20 CHED CC(C)CSCCNc1c(F)cc(C#N)cc1F 339362295 PCTSBVZPQWLZFW-UHFFFAOYSA-N 270.348 3.638 30 20 CHED N#CCc1ccc(CSc2ccc(O)cc2)cc1 342548865 QZZTVEHSBUTNDO-UHFFFAOYSA-N 255.342 3.751 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@H](C)C1 361768127 QKOBBTXSVFVYJA-HSMVNMDESA-N 260.356 3.612 30 20 CHED C=C[C@H]1CCCCN1c1cc(C)c(Br)cn1 486464395 GBJFFYWHHPWKOK-NSHDSACASA-N 281.197 3.697 30 20 CHED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 61614107 LVMJZQDZYUJADF-AWEZNQCLSA-N 270.719 3.586 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(OC)c(F)c2)cc1 7905182 GQNMIMYIJQJNRM-YCRREMRBSA-N 286.302 3.739 30 20 CHED N#Cc1ccc(C[S@](=O)c2ccc(Cl)cc2)cc1 8552662 CXKDWXBJGHKKNK-GOSISDBHSA-N 275.760 3.519 30 20 CHED C=CCNC(=O)Nc1cccc(-c2cccs2)c1 171378551 WWJBJAGFAUNUEY-UHFFFAOYSA-N 258.346 3.723 30 20 CHED C[C@H](NC(=O)NC1(C)CCCCC1)c1ccc(C#N)cc1 116490897 KNWAAASQXWUJGS-ZDUSSCGKSA-N 285.391 3.641 30 20 CHED CC(=O)c1ccc(NCCCOc2ccc(C#N)cc2)cc1 55824272 GPRLGIQNXGFVAS-UHFFFAOYSA-N 294.354 3.642 30 20 CHED COCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 107099001 KATSGHHYKVEDNV-KPKJPENVSA-N 296.366 3.916 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1F 116996927 MRSSVUGQSYUQEZ-MRVPVSSYSA-N 256.708 3.565 30 20 CHED Cc1ccc(C(C)(C)C(=O)[C@H](C#N)c2ccccn2)cc1 103329848 KGPSRAPMKWMXSI-OAHLLOKOSA-N 278.355 3.544 30 20 CHED CC(C)CCN(c1ncccc1C#N)C1CCCC1 110363383 ZLWJXGNEGBELBM-UHFFFAOYSA-N 257.381 3.748 30 20 CHED Cc1c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)oc2ccccc12 116806151 PFASRAGWIMSBTH-XIKOKIGWSA-N 296.370 3.944 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1F 52020263 GFNXQRYHNWUIRE-GFCCVEGCSA-N 295.354 3.533 30 20 CHED COc1cc(F)ccc1N[C@@H](C#N)C1CCCCC1 115606009 WXHMJBRVOPQDIT-AWEZNQCLSA-N 262.328 3.719 30 20 CHED C#CCCCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 119978870 MKRGPOHZTPASRG-RDJZCZTQSA-N 269.388 3.585 30 20 CHED C[C@@H](CC#N)OC(=O)c1nc(-c2ccccc2)oc1C1CC1 113692939 XNOKUXAPZHGHHZ-NSHDSACASA-N 296.326 3.678 30 20 CHED C[C@H](c1ccccc1F)N(C)C(=O)c1sccc1C#N 52030080 MAWXZHFHSDGNEV-SNVBAGLBSA-N 288.347 3.592 30 20 CHED C=CCCCC(=O)N[C@@H]1CCc2c(Cl)cccc21 175413740 FENPAEFWXKGUIY-CQSZACIVSA-N 263.768 3.800 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1cc(C)ccc1C 177871396 RCZMVBMNFNHYNR-ZDUSSCGKSA-N 263.406 3.940 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2cccc(F)c2)cc1 111691011 SNDCHJCVRCXZCC-WTKPLQERSA-N 281.286 3.624 30 20 CHED CC(C)(CNCc1cccc(C#N)c1)c1cccc(F)c1 118453854 GRYNUCDPUFCJFA-UHFFFAOYSA-N 282.362 3.765 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)C 116935928 WXWSOTSGOYJPSU-DZGCQCFKSA-N 260.381 3.648 30 20 CHED CN(Cc1cc2ccccc2o1)C(=O)C1(C#N)CCCCC1 173910960 RBJCSRBDROOYCL-UHFFFAOYSA-N 296.370 3.865 30 20 CHED CCOc1ccc(Oc2ccc(Cl)c(C#N)n2)cc1 301573983 XYFBOCMYHIKJKY-UHFFFAOYSA-N 274.707 3.798 30 20 CHED CC(=O)c1cccc(NC(=O)[C@H](CC#N)c2ccccc2)c1 1355165161 TZQMUXNNYKVLLL-QGZVFWFLSA-N 292.338 3.525 30 20 CHED CCCOc1cccc(C(=O)Nc2cc(C#N)ccc2C)c1 63962257 XQEJKGQTUFDAKE-UHFFFAOYSA-N 294.354 3.908 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1c1cc(C)ccc1C 177963684 PSKKKRUQBLQLMF-KRWDZBQOSA-N 284.403 3.563 30 20 CHED N#CCCN(Cc1ccco1)C(=O)c1ccc(Cl)s1 60792338 CNDFIXKMDCHFAC-UHFFFAOYSA-N 294.763 3.551 30 20 CHED C=C(C)CCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 1353427620 BIIPCJHJCMADIC-UHFFFAOYSA-N 288.391 3.510 30 20 CHED C[C@H](O)c1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 171830698 CTPLPZZBDIIVHA-NSHDSACASA-N 286.762 3.877 30 20 CHED Cc1ccccc1[C@H]1CN(Cc2ccc(C#N)s2)CCO1 127508412 AUQKEQNTPOTDLE-QGZVFWFLSA-N 298.411 3.502 30 20 CHED CC[C@@H](SC)C(=O)Nc1sc2c(c1C#N)CCCC2 178450320 KCSIOMKQJMDPOM-LLVKDONJSA-N 294.445 3.579 30 20 CHED Cc1ccc(C[C@@H](C)Nc2nc3ccccn3c2C#N)s1 302193028 RPOBZXBYJBPQPL-LLVKDONJSA-N 296.399 3.619 30 20 CHED Cc1ccc(CC(C)(C)NC(=O)c2cccc(C#N)c2)cc1 62078247 QAZWEARUZAUPND-UHFFFAOYSA-N 292.382 3.618 30 20 CHED C[C@H]1CC[C@H](C)N1c1ccc(C(F)(F)F)c(C#N)c1 302194620 NRQCNWJZNJYAPX-UWVGGRQHSA-N 268.282 3.954 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H](C)c1ccc(F)cc1 120463885 IHEOVCSPMVUVLN-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C=CCN(CC=C)CC(=O)Nc1ccc([C@H](C)CC)cc1 301759899 IDIPTSJGVRYOFW-OAHLLOKOSA-N 286.419 3.813 30 20 CHED N#Cc1cccnc1N[C@@H]1CCC[C@@H]1Cc1ccccc1 301338333 DCVULOSHDMBWEP-NVXWUHKLSA-N 277.371 3.777 30 20 CHED C=C(Br)CN[C@@H](C)[C@H](C)c1ccccc1 125033476 SAQNBYJPQGPYFP-RYUDHWBXSA-N 268.198 3.677 30 20 CHED C=CCSCCN[C@H](C)c1ccc(F)cc1F 180459258 HGENRCUXBCFECI-SNVBAGLBSA-N 257.349 3.535 30 20 CHED Cc1ccccc1Nc1nc(CN(C)CCC#N)cs1 78636875 DEGHRHOHHONCMS-UHFFFAOYSA-N 286.404 3.541 30 20 CHED Cc1c(C#N)cccc1C(=O)NC[C@H](C)c1ccc(F)cc1 509586152 MBKZNLZOSOIOKL-LBPRGKRZSA-N 296.345 3.539 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(C#N)c(F)c1 483963302 QMWVRMQPYUFQMV-IFIJOSMWSA-N 272.367 3.850 30 20 CHED CN(C(=O)C[C@H]1C=CCCC1)c1cc(Cl)ccc1C#N 188479887 GBRGDGZRONSAIU-LBPRGKRZSA-N 288.778 3.921 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 184126875 RONUWIBLBREZKX-AWEZNQCLSA-N 296.370 3.712 30 20 CHED CCCN(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 419642531 NOCOCPVDULKLKI-KRWDZBQOSA-N 297.402 3.520 30 20 CHED CCC[C@H](O)CSc1ccc(C#N)c(C(F)(F)F)c1 413002599 RVACKXQGSZPFIA-JTQLQIEISA-N 289.322 3.830 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccccc1CSCC 410835248 NBVINRARJSJJBB-AWEZNQCLSA-N 290.432 3.704 30 20 CHED CCCC[C@@H](NCCCSCC#N)C1CCC1 184869577 PVAHHQJMOBTWND-CQSZACIVSA-N 254.443 3.582 30 20 CHED CC(C)(C)OC(=O)CCCCCN[C@@H]1CCC[C@H](C#N)C1 185894990 JTNOIEXSHGJTAQ-LSDHHAIUSA-N 294.439 3.560 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1c(F)cccc1F 182764782 KTQLIZMMOFZVBF-SNVBAGLBSA-N 268.307 3.831 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cccc(C)c1Cl 410125117 YWABMCSGKVNEKQ-CYBMUJFWSA-N 265.784 3.662 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1C 504567028 XMDZMLJJCMYVRU-UEKVPHQBSA-N 290.794 3.766 30 20 CHED N#CCC[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccccc1 188745662 MZJZPSCQBVJSAG-WBVHZDCISA-N 282.387 3.894 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CC=CC1 77743253 TYEFBTZOIWEQCK-GFCCVEGCSA-N 286.400 3.986 30 20 CHED CC#CCCSCc1nc(C(F)(F)F)cs1 184935030 WYELRRKFLKPPIK-UHFFFAOYSA-N 265.325 3.809 30 20 CHED CC(C)CCC[C@@H](C)NCc1ccc(C#N)s1 135665978 YBRUYUUAGGMFQE-GFCCVEGCSA-N 250.411 3.924 30 20 CHED C=CC[C@H](CC)NC(=O)c1oc2ccccc2c1C 410125892 RGIIHRQFHWYMDR-LBPRGKRZSA-N 257.333 3.826 30 20 CHED C=CCCO[C@H](C)C(=O)NC(CC(C)C)CC(C)C 504627999 RKYRIOSDRQHLLI-CQSZACIVSA-N 269.429 3.545 30 20 CHED CC1(CC(=O)Nc2ccc(Cl)cc2CC#N)CC1 410963015 DWCYAMKVTQPHFC-UHFFFAOYSA-N 262.740 3.535 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1ccc(OC)cc1 414169381 RQYHGPQFHNBLHU-OAHLLOKOSA-N 260.381 3.676 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(Cl)ccc1Cl 134874936 KPZXXJRZGLEZPH-UHFFFAOYSA-N 279.554 3.867 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCO[C@@H](C)c1ccccc1 189926984 GPTNXVQFNRKBJJ-YJBOKZPZSA-N 289.419 3.873 30 20 CHED O/C(CSc1nncs1)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329681648 XBNRQLFQNXKLFD-HBNTYKKESA-N 297.449 3.556 30 20 CHED N#CC1CCC(C/N=C(/O)c2cccc3c2CCC3)CC1 328737031 ZVMANVFREYVADF-UHFFFAOYSA-N 282.387 3.810 30 20 CHED Cc1cc(C)c(C(=O)N2CCc3cc(C#N)ccc32)c(C)c1 416024539 UAUBUGQNLAIYDN-UHFFFAOYSA-N 290.366 3.686 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(CN2CCCCCC2)cc1 195125434 LUAULBXZRPBWKW-UHFFFAOYSA-N 299.418 3.551 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(C(C)(C)C)s1 132226563 AVYDVCQIWRHDRQ-NSHDSACASA-N 278.421 3.667 30 20 CHED C=CC1CCN(C(=O)C/C=C\c2ccccc2F)CC1 426280270 ZGQDZWKYHFUTRH-ALCCZGGFSA-N 273.351 3.654 30 20 CHED N#Cc1cccc(OCCCSCC[C@H]2CCCO2)c1 190051209 LXIVERSDBWXANF-OAHLLOKOSA-N 291.416 3.629 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2cc(Cl)ccc2C1 424810186 XCLZHWAQKYXXEB-UHFFFAOYSA-N 277.795 3.827 30 20 CHED C=CCCCCCNc1ccc(C(=O)NC)c(Cl)c1 195448082 DPUDIGOSBHUKPQ-UHFFFAOYSA-N 280.799 3.858 30 20 CHED Cc1cccc(CNC(=O)Nc2ccc(C#N)cc2Cl)c1 426165858 LHCYLVHSCRVROG-UHFFFAOYSA-N 299.761 3.842 30 20 CHED N#CC1(CN2CCCc3c2cccc3C(F)(F)F)CC1 425582345 GNKZSXZQHNORNB-UHFFFAOYSA-N 280.293 3.762 30 20 CHED N#Cc1ccnc(Sc2ccc3c(c2)CCC3)c1[N+](=O)[O-] 132598670 QEMYAHQUROJWKU-UHFFFAOYSA-N 297.339 3.501 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)Cc2ccccc21 44013215 UQAZKMUTZLQIJV-XYOKQWHBSA-N 256.251 3.787 30 20 CHED C=CCSCC(=O)N1CCc2sccc2[C@@H]1CC 44400662 FECHOYYDTBUPNO-LBPRGKRZSA-N 281.446 3.503 30 20 CHED N#CCN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C1CCCC1 513364897 BQQHBZWVUAFOFV-DJIMGWMZSA-N 288.435 3.888 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H](c2ccccc2)[C@H]2CCCO2)C1 192772338 JANFNAXRCOYAKZ-HPBDAGMYSA-N 284.403 3.579 30 20 CHED Cc1nnc(SCc2cccc(F)c2F)c(C#N)c1C 193049935 RTGUZIBMDDSYTE-UHFFFAOYSA-N 291.326 3.536 30 20 CHED C=CCOc1ccc(CNCc2cc(C)ccc2F)cc1 512516618 IWSQVGKMEPXNDY-UHFFFAOYSA-N 285.362 3.989 30 20 CHED C=CCN(CC=C)C(=O)NC1CCC(CCC)CC1 195636079 PIXJJTSNURHZNL-UHFFFAOYSA-N 264.413 3.729 30 20 CHED OC(=Nc1nc2cccnc2[nH]1)[C@@H]1C[C@@H]1C1CCCCC1 330294497 FGPOLDACWZBXTJ-VXGBXAGGSA-N 284.363 3.762 30 20 CHED COc1ccc2c(OCCC(C)(C)C#N)ccnc2c1 337121698 ACAWHPWNYSTFDC-UHFFFAOYSA-N 270.332 3.562 30 20 CHED C[C@H]1CCCC[C@@H]1OCCNc1ncc(C#N)cc1Cl 339136351 LPPAJCVQTCKFLF-FZMZJTMJSA-N 293.798 3.614 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(Cl)c1C 335683368 ZGCDQYNBBBJSRP-UHFFFAOYSA-N 274.707 3.674 30 20 CHED Cc1cccc2c1CN([C@@H](C)c1ccc(C#N)cc1)CC2 429557896 CWKGIUVSSPTICK-HNNXBMFYSA-N 276.383 3.986 30 20 CHED C[C@H](CCc1ccccc1)CN[C@@H]1CC[C@H](C#N)C1 424204355 VNHZVGMCLPAXGZ-HYVNUMGLSA-N 256.393 3.537 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(C)CCCC1 425438430 AVABZGQWFFXILO-CQSZACIVSA-N 299.418 3.841 30 20 CHED CC1(C)COc2ccc(C(=O)Nc3sccc3C#N)cc21 335717341 SBNAMAUKZOWCAS-UHFFFAOYSA-N 298.367 3.542 30 20 CHED COc1nc2ccccc2cc1CN(CC#N)C1CCCC1 93563203 DQZKUNDIDKDSAV-UHFFFAOYSA-N 295.386 3.512 30 20 CHED C=C(C)COCCN[C@@H](CC)c1ccccc1OC(F)F 90450741 MMYOPVPTHAIYKU-AWEZNQCLSA-N 299.361 3.921 30 20 CHED Cc1c(C#N)cccc1-c1nc(C2CCCCC2)no1 511242039 RGPHLXOVNRTBEI-UHFFFAOYSA-N 267.332 3.964 30 20 CHED C[C@H](c1ccccn1)N(C)CC#Cc1ccc(Cl)cc1 91701810 QOICUEDJFWZYCT-CQSZACIVSA-N 284.790 3.780 30 20 CHED CCC1CCC(CNC(=O)[C@@]2(C#N)CC23CCCC3)CC1 333537726 KKNQYHSHFXRDFX-JMLCCBQJSA-N 288.435 3.793 30 20 CHED CCCN(CC#N)Cc1cc(F)cc(C(F)(F)F)c1 92398365 DUEFOFVEVPHDOQ-UHFFFAOYSA-N 274.261 3.580 30 20 CHED N#CCc1ccc(NC(=O)N2CCC23CCC3)c(Cl)c1 335583537 HXLYFVLGUGOEPV-UHFFFAOYSA-N 289.766 3.566 30 20 CHED COc1c(/C(O)=N/C2(C)CCCCC2)cccc1[N+](=O)[O-] 331040899 CFOONYXPWMQYIK-UHFFFAOYSA-N 292.335 3.631 30 20 CHED CC1(C#N)CCC(NC2(c3ccc(F)cc3)CC2)CC1 334649941 AILQEIXMOQQHRF-UHFFFAOYSA-N 272.367 3.877 30 20 CHED C=CCC1(NC(=O)c2nn(C)c3ccccc23)CCCCC1 529461003 YCOZAJHAKOODOP-UHFFFAOYSA-N 297.402 3.582 30 20 CHED CC[C@H](N[C@@H](C)c1ncccc1F)c1ccc(C#N)cc1 528036816 YESWJQFFKDWEDN-LRDDRELGSA-N 283.350 3.894 30 20 CHED C=CCC[C@H](NC[C@H](c1cccc(F)c1)N(C)C)C1CC1 439078464 LKLGWPQKGBQDJK-ZWKOTPCHSA-N 290.426 3.763 30 20 CHED C[C@@H](NCCCC#N)c1ccc(F)c2ccccc12 340361221 NBFTWIPKJATESJ-GFCCVEGCSA-N 256.324 3.933 30 20 CHED C=CCCC(=O)NCc1c(C)c(C)c(C)c(C)c1C 435294794 MPKBHPPLHBNMMT-UHFFFAOYSA-N 259.393 3.811 30 20 CHED C=CC1CCN(C(=O)c2ccc(SC3CC3)cc2)CC1 341318653 UJBQTUCSMWSUSO-UHFFFAOYSA-N 287.428 3.979 30 20 CHED C/C(Cl)=C\CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 528392975 HMVYOHLKUBCJTO-LXUUZPSESA-N 274.795 3.901 30 20 CHED CC[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 248754132 PCVDMYBEHCABHC-HFTRVMKXSA-N 284.403 3.769 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 248454062 ZGZUQLPAYUPLKA-UHOFOFEASA-N 283.375 3.601 30 20 CHED C[C@@H](CCC#N)CNC[C@@H](c1ccccc1)C1CC1 602668108 BOMLFVNXDSRQKL-YOEHRIQHSA-N 256.393 3.710 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] 435583586 JZXOKNALNBBVIF-IINYFYTJSA-N 296.754 3.641 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1cccc(Cl)c1 606902236 BUDARNUGOLRVBK-UHFFFAOYSA-N 294.826 3.957 30 20 CHED C[C@@](C#N)(NC(=O)C1CCC=CCC1)C1CCCCC1 602104617 TWGIFVTYWFXFHZ-KRWDZBQOSA-N 274.408 3.712 30 20 CHED COc1ccc(-c2ncc(C(C)C)s2)c(C#N)c1 600789485 FHQBDLMMIIBHTR-UHFFFAOYSA-N 258.346 3.814 30 20 CHED CC1CCC(CC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 522320161 HNYFDZQBIRQPGQ-SLTAFYQDSA-N 284.403 3.952 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CSC1CCC(C)(C)CC1 344443513 FFZTUPKSAHHJKB-MRXNPFEDSA-N 296.480 3.743 30 20 CHED Cc1nc(C(C)C)oc1COc1cccc(F)c1C#N 436473221 FSAUIKDGBYCOAA-UHFFFAOYSA-N 274.295 3.696 30 20 CHED N#Cc1cc(N(Cc2ccc(Cl)cc2)C2CC2)ccn1 341719558 CHMKZEUFZJNROQ-UHFFFAOYSA-N 283.762 3.776 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)C1CCCCC1 255316421 MKHGBROORNVIDD-KTKRTIGZSA-N 259.305 3.757 30 20 CHED C=CC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 541999776 YRVHEIDZBPDUPX-UHFFFAOYSA-N 280.755 3.646 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)cc1 607554685 OZAXDIIANGEHRW-CABCVRRESA-N 287.403 3.902 30 20 CHED COc1ccsc1[C@@H](C)NCC(C)(C)CCC#N 348216515 OIRPNJHLRKOZRV-LLVKDONJSA-N 266.410 3.737 30 20 CHED CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)[C@H]1CCC#N 601937814 IIHUHAMETNJJJQ-LBPRGKRZSA-N 296.157 3.636 30 20 CHED C[C@@H](NCc1ccc(F)cc1)c1ccc(C#N)c(F)c1 346052185 UPBLKMYKJFJMHE-LLVKDONJSA-N 272.298 3.687 30 20 CHED COc1cc2ccccc2cc1CNCCCCC#N 449131324 LWBVBTQBMJWLBL-UHFFFAOYSA-N 268.360 3.632 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3ncsc3c2)c1 255540070 DIRSYICJWRSKTJ-UHFFFAOYSA-N 299.311 3.661 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2ccc(C)s2)SC1=S 255641991 HZBIWBAJBKMCBT-WDZFZDKYSA-N 295.454 3.834 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CCO[C@H]2c2ccccc2)CC1 449287320 WEVOGCVXJYTRJP-BMHOQUIDSA-N 298.430 3.826 30 20 CHED COc1ccccc1C1(CN[C@@H]2CC[C@@H](C#N)C2)CCCC1 442723348 WWMCCLZMQKQIHW-HZPDHXFCSA-N 298.430 3.789 30 20 CHED CC(C)Oc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 609103213 ZKFZSLIQWSLCCU-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CN(Cc1cccs1)c1ccc(C(F)(F)F)c(C#N)n1 443409557 XJHNCWJQFWXEBE-UHFFFAOYSA-N 297.305 3.670 30 20 CHED Cn1nccc1/C=C\C(=O)c1ccc(SC(F)F)cc1 255103408 YZYXBXMNOGVHEG-DAXSKMNVSA-N 294.326 3.631 30 20 CHED COC1CCC(C)(CN[C@@H](C)c2ccc(C#N)cc2)CC1 359000652 JWLVGGXLFHTDCG-NNGSBXSVSA-N 286.419 3.804 30 20 CHED C[C@@H](Cc1nnc(S[C@H](C#N)C2CC2)o1)c1ccccc1 601072964 YYHJYWJCNDDTMO-SMDDNHRTSA-N 299.399 3.810 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H](C)C1 355329176 FVXWIZDYUIJATJ-UEKVPHQBSA-N 289.354 3.644 30 20 CHED N#Cc1ccc(N2CCCC3(CCCC3)C2)c([N+](=O)[O-])c1 445660759 WKTCGZGMTWAKKL-UHFFFAOYSA-N 285.347 3.627 30 20 CHED C[C@H]1CCN(Cc2ccc(F)cc2C#N)CC12CCC2 357020946 GVMDTZGZNDQGBI-ZDUSSCGKSA-N 272.367 3.709 30 20 CHED CSC1CCN(Cc2ccc(Cl)cc2C#N)CC1 602921880 BCYYNGZFFFUBOG-UHFFFAOYSA-N 280.824 3.539 30 20 CHED CCn1cc(C(=O)NCC(C)(C)CCC#N)c2ccccc21 359766773 SLSXNUYCPYBECW-UHFFFAOYSA-N 297.402 3.721 30 20 CHED Cc1ccccc1N[C@@H](C)CC1(C#N)CCOCC1 602494274 NBZUDCIOYOIYCC-AWEZNQCLSA-N 258.365 3.506 30 20 CHED N#Cc1ccccc1CN1CCS[C@H](c2ccccc2)C1 609800525 LGYSZLBXDFJTRY-SFHVURJKSA-N 294.423 3.848 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(COC2CCCC2)cc1 449915375 ODMDUVMZNYDVIX-UGSOOPFHSA-N 298.386 3.634 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCOc3ccc(F)cc32)CC1 355829443 NPJPEFIMFAMNES-CQSZACIVSA-N 289.350 3.512 30 20 CHED Cc1c(Cl)ccc2ccc(N(C)C[C@@H](C)C#N)nc12 537164968 UYEGSUCNBNONQH-JTQLQIEISA-N 273.767 3.793 30 20 CHED CC[C@H](C(=O)N(CC)CC#N)c1cccc(C(F)(F)F)c1 267626682 MOUFWDBMILWETL-ZDUSSCGKSA-N 298.308 3.571 30 20 CHED COc1c(F)cc(F)cc1NCc1cc(C#N)cs1 355434298 GAYYMXLWZMZCEM-UHFFFAOYSA-N 280.299 3.519 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 358635068 HTSUGWDUSFRUFW-ZDUSSCGKSA-N 291.416 3.916 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1OCC1CC1 538333466 DVWBOGUXPYKPJN-AWEZNQCLSA-N 287.403 3.950 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)CCc1ccc2ccccc2c1 267505802 HFMIXHRQPOMEHU-QGZVFWFLSA-N 294.398 3.827 30 20 CHED Cc1ccc(C)c(CN[C@@H]2CCc3cc(C#N)ccc32)c1 618741532 GWWMZCTZRUSCJQ-LJQANCHMSA-N 276.383 3.952 30 20 CHED C=CCC1(C(=O)NCc2ccc(F)c(F)c2)CCCC1 449431201 DCGMUMCBHVRJOI-UHFFFAOYSA-N 279.330 3.718 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)CNc1ccccc1 539468776 YGRNIAVYWCUFEC-LSDHHAIUSA-N 289.423 3.531 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1C 448664074 HXSVXDAPLCNZJE-UHFFFAOYSA-N 298.411 3.981 30 20 CHED CN1CCCN(Cc2cccc(C#N)c2)c2ccc(F)cc21 532729938 JDRAZHNKGJKAAQ-UHFFFAOYSA-N 295.361 3.544 30 20 CHED N#Cc1ccc(CNCC[C@@H]2CCc3ccccc32)cc1 449377546 OXFSBQRHYCDXDW-SFHVURJKSA-N 276.383 3.768 30 20 CHED CC(C)C1CCC(NC(=O)N2CCC[C@](C)(C#N)C2)CC1 612143812 MTAACXCXQLJSGH-VMBOVVBDSA-N 291.439 3.536 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(C)cc(F)cc1C 613273028 QMNIANWVGMKFQG-CYBMUJFWSA-N 263.356 3.917 30 20 CHED CC#CCCCC(=O)NCc1cc(Cl)cc(Cl)c1 616988237 LYQXVSPPIRHHGC-UHFFFAOYSA-N 284.186 3.803 30 20 CHED CO[C@H]1CCC[C@@H]1CNc1ccc(C(F)(F)F)cc1C#N 538131556 KYTACRGGRDAACL-YGRLFVJLSA-N 298.308 3.804 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)OCC 458353803 BEOIKIVDFMXEOG-SWLSCSKDSA-N 295.810 3.889 30 20 CHED CC(C)c1cccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)n1 610771721 DMDHRTPXHVBFHP-ZDUSSCGKSA-N 293.370 3.568 30 20 CHED CCc1ccc(CCN(CCC#N)Cc2ccccn2)cc1 266865760 MMWZPQJXKCKBEV-UHFFFAOYSA-N 293.414 3.602 30 20 CHED CC[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612357480 DFYQPULIHFTRGN-QAPCUYQASA-N 299.418 3.515 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C)nc2C2CC2)C1 617777332 MOYMWJLMWICYAR-AWEZNQCLSA-N 284.403 3.696 30 20 CHED Cc1ccccc1[C@@H](NCC1(CC#N)CC1)C(C)C 619535124 ZFPPMYSJBUSWJR-INIZCTEOSA-N 256.393 3.976 30 20 CHED C=CCC[C@@H](CO)N[C@@H]1CCSc2cc(C)c(C)cc21 453359487 OVQXSDHFGTXAMQ-GOEBONIOSA-N 291.460 3.757 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCC[C@@H]1CCCC)OCC 533717561 UWWSTFWMGSCXAV-JYJNAYRXSA-N 281.440 3.833 30 20 CHED C=C(CNC(=O)N1CC(CC)(CC)C1)c1ccccc1 458765697 SVYIYKKLYVLBAE-UHFFFAOYSA-N 272.392 3.531 30 20 CHED CCC1CCC(c2noc([C@@]3(C#N)C[C@@H]3C)n2)CC1 453140119 XMVKDVRQFGSIQZ-ZIULKBFBSA-N 259.353 3.555 30 20 CHED CO[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C 611394043 ZETTZVSEBFPIAZ-IAGOWNOFSA-N 286.419 3.586 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@H](c2ccco2)C1)c1ccccc1 364481706 JAUSXPGPIGWJTG-SJORKVTESA-N 295.382 3.955 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)SCc1ccccc1 452778679 RLXUHHSJKYTNIK-CYBMUJFWSA-N 277.433 3.637 30 20 CHED N#CCCCC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 457054688 BROXDIQHTHSBOL-ZFWWWQNUSA-N 290.794 3.786 30 20 CHED Cc1nc(NC(=O)C(C)(C)C(C)C)sc1SCC#N 362678780 AATYSVQZRKODBF-UHFFFAOYSA-N 297.449 3.688 30 20 CHED Cc1ccnc(N[C@H](Cc2ccccc2)C2CC2)c1C#N 543136949 DSVVFLMXAAHAPP-QGZVFWFLSA-N 277.371 3.695 30 20 CHED C=CCC[C@@H](C(=O)Nc1nc(C)ns1)c1ccccc1 274994913 BXHXDWSTPZPPOU-CYBMUJFWSA-N 287.388 3.535 30 20 CHED C[C@H](C#N)CNC1CC(c2ccc(C(F)(F)F)cc2)C1 542693586 LDBFQMGWNSKSIJ-PWQPVHBWSA-N 282.309 3.701 30 20 CHED C=CCCCc1nc(-c2ccc3ncccc3c2)no1 544142820 SHWYEYBGDMGHNZ-UHFFFAOYSA-N 265.316 3.794 30 20 CHED C=C(C)[C@H](Cc1nc(-c2cccc3[nH]ccc23)no1)OCC 273842436 ZLCFJCQASXYJMP-HNNXBMFYSA-N 297.358 3.742 30 20 CHED C=CCCN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273375269 CIQJKQWGFITELF-HOTGVXAUSA-N 263.356 3.554 30 20 CHED N#CCCCN1CCC(Cc2ccc(F)c(F)c2)CC1 368666980 OQQQBCJGNYPYHK-UHFFFAOYSA-N 278.346 3.523 30 20 CHED C=C(C)CCNC(=O)C(C)(C)Oc1cccc(Cl)c1 452726073 ULTNMQYVDMBOPT-UHFFFAOYSA-N 281.783 3.580 30 20 CHED C=CCCCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 459672175 XOENJPPIDVJPSX-CYBMUJFWSA-N 291.357 3.634 30 20 CHED Cc1nc(CCNc2ccc(CC#N)cc2Cl)cs1 453137254 VLLKJDVSBFEKLK-UHFFFAOYSA-N 291.807 3.826 30 20 CHED C[C@@H](NC1(c2ccccc2)CC1)c1ccc(OCC#N)cc1 271952760 DYVWGTXBJIFVKG-OAHLLOKOSA-N 292.382 3.929 30 20 CHED CCc1cc(C#N)c(NC(=O)C2Cc3ccccc3C2)s1 278013165 MGBPTRQELAJUDN-UHFFFAOYSA-N 296.395 3.536 30 20 CHED CN1CCCN(Cc2ccc(CC#N)cc2)c2ccccc21 542210504 ZRHLWUXRFRNYPW-UHFFFAOYSA-N 291.398 3.599 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc2ccccc2s1 272467477 ZWKCQTIURABPTP-MRXNPFEDSA-N 286.400 3.959 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCC(F)(F)F)c1 273235769 SJMGKAYZXUENFR-UHFFFAOYSA-N 270.254 3.515 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCC2(CCC2)C1 549647597 YVDCENJPIWSUCC-UHFFFAOYSA-N 288.439 3.577 30 20 CHED CC#CCCCC(=O)N1CCC[C@H](Cc2ccccc2)C1 373345566 GGALPWHNEZDRDN-GOSISDBHSA-N 283.415 3.661 30 20 CHED C=CCC[C@H](NC(=O)CC(C)(C)OC)c1ccccc1 278864438 YOCSQBMXVPBYRE-HNNXBMFYSA-N 275.392 3.625 30 20 CHED COCCC(C)(C)C/N=C(\N)Nc1cccc(C(C)C)c1 273483052 NDJWCWFVMMSERZ-UHFFFAOYSA-N 291.439 3.599 30 20 CHED CC(C)(NCc1ccc(CC#N)cc1)c1cccc(F)c1 542253652 MOVYTGMAYKRUDU-UHFFFAOYSA-N 282.362 3.917 30 20 CHED C=CCSCCNC(=O)CCCc1ccc(Cl)cc1 542817158 LERLVQMYJPBYRX-UHFFFAOYSA-N 297.851 3.698 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](CCC)c1cccc(Cl)c1 626066272 CGYPNKQBXZJWHP-RISCZKNCSA-N 265.784 3.914 30 20 CHED C[C@@H](NC(=O)N[C@@H]1CCCCC1(C)C)c1ccc(C#N)cc1 466200223 ITJYBVYRQFMWLS-CZUORRHYSA-N 299.418 3.887 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(-c2ccccc2Cl)o1 465118692 XRKNWMVJQLDDSF-JTQLQIEISA-N 275.735 3.904 30 20 CHED N#Cc1cccc(CNC[C@H](c2ccccc2)C2CC2)c1 552059576 LDYMZFBDNAEWIT-LJQANCHMSA-N 276.383 3.842 30 20 CHED C=CCC(C)(C)CN[C@@H](C)CC(=O)Nc1ccc(F)cc1 550857488 UQIOHPNFKLBSFS-ZDUSSCGKSA-N 292.398 3.735 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 464759002 UYLPXWBEJNIWMX-GXTWGEPZSA-N 292.810 3.631 30 20 CHED C=CCOCCN[C@@H](Cc1ccccc1)c1ccccc1F 555420351 AIMUQASRFGSOIO-IBGZPJMESA-N 299.389 3.902 30 20 CHED CC[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C(C)(C)C 462063678 YDHJFKJCVKOLQJ-WFASDCNBSA-N 272.392 3.603 30 20 CHED C=Cc1ccc(CCNC(=O)N2CCCC[C@@H]2C=C)cc1 464433866 MIKUZXJABDYCDX-KRWDZBQOSA-N 284.403 3.622 30 20 CHED C[C@@H](NC[C@@H]1CCC(F)(F)C1)c1ccc(C#N)c(F)c1 281282970 ZJPFLXZNLPACCQ-GHMZBOCLSA-N 282.309 3.783 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 466539838 MNHLQCTYJJVXNF-UGUYLWEFSA-N 281.440 3.831 30 20 CHED C=CCNC(=O)c1ccccc1N[C@@H](C)c1ccccc1F 630056023 HESUKBXDWMSNSI-ZDUSSCGKSA-N 298.361 3.915 30 20 CHED CCC[C@](C)(CC)C(=O)N(C)Cc1cccc(C#N)c1 280829441 JOQVZOASUZYQSJ-KRWDZBQOSA-N 272.392 3.733 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1C[C@H]1C1CCCCC1 469017482 NYPYOPLNAGOYGA-DLBZAZTESA-N 293.451 3.834 30 20 CHED CCCCCCNC(=O)NCc1ccc(C#N)c(Cl)c1 800984857 IJILQKMUMWPECD-UHFFFAOYSA-N 293.798 3.591 30 20 CHED CCc1ccc([C@@H]2CCCN(C(=O)[C@](C)(C#N)CC)C2)cc1 557687753 QREYMOXPKZJMRP-MJGOQNOKSA-N 298.430 3.895 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2cccc(C(F)(F)F)n2)C1 800812833 MSSNQZTUTXHVOU-NXEZZACHSA-N 271.286 3.934 30 20 CHED Fc1ccc(NN=Cc2ccc(C(F)(F)F)[nH]2)c(F)c1 807944009 VCHRVVVJEJNEOF-UHFFFAOYSA-N 289.207 3.758 30 20 CHED Cc1cc(C)cc(NC(=O)N2CCc3ccc(C#N)cc32)c1 479671422 GTNJTRYLXRQIJI-UHFFFAOYSA-N 291.354 3.770 30 20 CHED CC(NC(=O)CCCC#N)(c1ccccc1)c1ccccc1 291876226 VJHFXQIZBLPYDO-UHFFFAOYSA-N 292.382 3.760 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C 292944903 YAUWGGXLOIRMHP-GDBMZVCRSA-N 271.404 3.993 30 20 CHED C=CC(C)(C)C(=O)NCc1cccc(COC(C)(C)C)c1 294536431 LRLTUXKWFOVNNT-UHFFFAOYSA-N 289.419 3.830 30 20 CHED C#C[C@H](N[C@H]1CS[C@H](C(C)(C)C)C1)C(C)(C)C 809781235 KGVGIMPOLHBNJQ-AGIUHOORSA-N 253.455 3.544 30 20 CHED C=C(C)COc1cccc(NCCC(C)(C)C(=O)OC)c1 474386630 XOWMVJXWOYOASN-UHFFFAOYSA-N 291.391 3.643 30 20 CHED C=CCCCCCCNC(=O)Nc1cc(C)ccn1 806406179 UUBXPPCKKZFKOB-UHFFFAOYSA-N 261.369 3.648 30 20 CHED N#Cc1cccc(OCCCN2CC[C@@H]2c2ccccc2)c1 477272254 GWQOHFCJKLCNDH-LJQANCHMSA-N 292.382 3.774 30 20 CHED CC(C)c1[nH]ccc1C(=O)OCc1ccc(CC#N)cc1 803780001 INEZMRAYLWSVQO-UHFFFAOYSA-N 282.343 3.561 30 20 CHED C#C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(C)(C)C 807884724 VIUVYCAGILUZDP-KRWDZBQOSA-N 296.414 3.655 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2CC23CCCC3)c1 474354079 IZOXEWLONWADPW-HNNXBMFYSA-N 271.360 3.770 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(C(C)(C)CC)cc1 806498466 KXMCIYABLQTXGX-LBPRGKRZSA-N 258.365 3.517 30 20 CHED Cc1nc(Sc2nc(Cl)c(C#N)s2)sc1C 804507126 XCBZUDZXGKNQBN-UHFFFAOYSA-N 287.822 3.893 30 20 CHED C#C[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C(C)(C)C 807879671 ZMFNYNDKAHVGES-OLZOCXBDSA-N 251.414 3.613 30 20 CHED CC1(CNC(=O)N2CCC(CCC#N)CC2)CCCCC1 569234199 VFEXHPYZIRKIMT-UHFFFAOYSA-N 291.439 3.682 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1c1cc(C)nc(C#N)c1 561258746 FCRMNTHYWDGKFP-LRDDRELGSA-N 257.381 3.667 30 20 CHED C=CCCOCCNC(=O)c1cc2cc(C)ccc2s1 562167546 WOQKCGWHFBQLTE-UHFFFAOYSA-N 289.400 3.532 30 20 CHED C=CCCCOC(=O)c1ccc(OC(F)F)c(F)c1 815484282 JYBCUFOXXMTNBD-UHFFFAOYSA-N 274.238 3.550 30 20 CHED N#Cc1cncnc1SCc1ccccc1C1CC1 563531632 IZCAYWXKEOEAOK-UHFFFAOYSA-N 267.357 3.518 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1CC 486770680 JGPNQVHZBUTTRQ-CQSZACIVSA-N 258.365 3.821 30 20 CHED CCCC(=NNc1ccc(F)cn1)c1ccc(OC)cc1 814842966 WPUIZZLSAFEQSU-UHFFFAOYSA-N 287.338 3.846 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1cccs1 812240349 MIDCBSZSXZZSMQ-GQCTYLIASA-N 262.305 3.792 30 20 CHED Clc1cncnc1NN=C1CC[C@@H](c2ccccc2)C1 814909376 KKBKZRGMZDAJBT-GFCCVEGCSA-N 286.766 3.866 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 815753883 VQUYSMLUNPOXFK-QWRGUYRKSA-N 259.340 3.529 30 20 CHED C=CCCCCOC(=O)c1c(F)cc(F)cc1F 811011983 TXDOUBNXGIUTCL-UHFFFAOYSA-N 258.239 3.617 30 20 CHED CC#CCCNC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 483420459 NBUIHFLYFSWZCI-GOSISDBHSA-N 298.430 3.953 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)c1c(F)cccc1F 488832444 USZVIZHEAPIFDM-NEPJUHHUSA-N 279.330 3.635 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@@H]2CC[C@@H](C)C2)cc1 570432715 ZCJWWZSYMDRDAN-UNEWFSDZSA-N 284.403 3.756 30 20 CHED C=CCn1cccc1C(=O)N1Cc2ccccc2C[C@@H]1CC 488908168 HJQLPYSLDYMZJT-KRWDZBQOSA-N 294.398 3.651 30 20 CHED CC(C)CC[C@H](NC(=O)c1ccc(C#N)o1)C(C)(C)C 814116676 WLTFSVBIZZICNY-AWEZNQCLSA-N 276.380 3.732 30 20 CHED Cc1c(C(=O)N2C[C@H](C)C[C@H]2C)sc2ccc(C#N)cc12 578677224 NQCZQDOXXPPBIP-GHMZBOCLSA-N 298.411 3.952 30 20 CHED CC(=NOC1CCCCC1)c1ccc(CN(C)C)cc1 814909345 HWQRPCKIOPXCAK-UHFFFAOYSA-N 274.408 3.822 30 20 CHED N#Cc1cccc(F)c1Cc1nc(CC2CCCCC2)no1 572800265 RPOQSXNZRYSYJI-UHFFFAOYSA-N 299.349 3.794 30 20 CHED Clc1cc(NN=C2CCC[C@@H]3C[C@H]23)cc(Cl)n1 819828611 JYDOBIVOBYYPPA-APPZFPTMSA-N 270.163 3.976 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCc2ccc(C)cc21)C(C)C 813850326 VPVVDNRQTKZWBE-QGZVFWFLSA-N 286.419 3.978 30 20 CHED CCC1=C(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CCCO1 819736178 DJMRVQCRSZSCCT-CYBMUJFWSA-N 298.386 3.552 30 20 CHED N#CC1(CCOc2ccc3c(c2)NC(=O)CC3)CCCCC1 579935819 IWJXCDZEZAIAAB-UHFFFAOYSA-N 298.386 3.814 30 20 CHED CC(Cc1ccsc1)=NNc1ccc(C#N)cc1 729637540 NXDAQVLRZDLZSF-UHFFFAOYSA-N 255.346 3.650 30 20 CHED Cc1cccc(NN=Cc2cc(F)c(F)c(F)c2)c1 727970116 QWXFTGRSOFNQFF-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C=C(C)COc1cccc(NCC(C)(C)COC)c1 494161110 HBHSHIPIACQTJA-UHFFFAOYSA-N 263.381 3.726 30 20 CHED Cc1cc(C=NNC2CCCC2)c(C)n1CC(C)C 727652686 UVYPMGUXZIDZPT-UHFFFAOYSA-N 261.413 3.627 30 20 CHED Cc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2C)cc1 588559834 PUJSGNOWARJETQ-KTKRTIGZSA-N 268.360 3.977 30 20 CHED C=CCCC[C@H](NCC1CCC(CCC)CC1)C(=O)O 900068382 GSMKTZLMCHESPO-GPANFISMSA-N 281.440 3.992 30 20 CHED C#CCO[C@H](C)c1nc(-c2c(Cl)cccc2Cl)no1 904308055 ACLPOFLFYREPRK-MRVPVSSYSA-N 297.141 3.754 30 20 CHED C=CCCCC[C@@H](C)NCc1cc(C2CC2)nn1C 824074874 YEYABKYEEDFPQP-CYBMUJFWSA-N 261.413 3.522 30 20 CHED C=CCCCOC(=O)c1cnc(C(C)(C)C)s1 735533583 YMABRSIGNQMAOT-UHFFFAOYSA-N 253.367 3.564 30 20 CHED COc1c(C)cc([C@@H](C)NCC2(C#N)CC2)cc1Cl 903106864 XCGFPUSELGLJAD-LLVKDONJSA-N 278.783 3.611 30 20 CHED CCc1noc(CC)c1CN[C@@H](CC)c1cccc(C#N)c1 902840230 YUGVQCKFLXJSRV-INIZCTEOSA-N 297.402 3.912 30 20 CHED CC[C@@H](NC[C@@H](O)c1ccccc1C)c1cccc(C#N)c1 902803740 XYNZETNEMPSTFF-RTBURBONSA-N 294.398 3.641 30 20 CHED CC(=NNC[C@H]1CCSC1)c1c(C)oc2ccccc12 834979439 ITJJGRQCXKXJBI-CYBMUJFWSA-N 288.416 3.808 30 20 CHED C=CCN(C)C(=O)C1(c2ccc(F)cc2)CCCCC1 490952758 FOYADELRXFGDIV-UHFFFAOYSA-N 275.367 3.672 30 20 CHED C[C@@H](CC(=O)N(O)Cc1ccc(F)cc1)c1ccccc1 901378314 GFPWQZVHPILAMA-ZDUSSCGKSA-N 287.334 3.737 30 20 CHED CCc1nc(C)c(C(C)=NNc2cccc(OC)c2)s1 735226990 IRKOLJVREZPFDD-UHFFFAOYSA-N 289.404 3.859 30 20 CHED CC[C@H](N[C@H]1CC[C@H](SC)C1)c1cccc(C#N)c1 902821365 IVQIVIIHNPYZGO-JYJNAYRXSA-N 274.433 3.883 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H]2CNc3ccccc32)n1 904724991 USFUDACYZAOBHB-GFCCVEGCSA-N 283.375 3.675 30 20 CHED C[C@H]1CCC[C@H](N(C)Cc2ccc(OCC#N)cc2)C1 731211454 JXOVJBWYHQQUBD-HOCLYGCPSA-N 272.392 3.599 30 20 CHED C=CCOc1ccc(OC(=O)OC2CCCC2)cc1 830739171 LEJGRCVDTXTAHE-UHFFFAOYSA-N 262.305 3.709 30 20 CHED CC(Cc1cnccn1)=NNc1ccc(C(C)(C)C)cc1 834974139 UCUXFFVSZPRXLZ-UHFFFAOYSA-N 282.391 3.805 30 20 CHED CN(Cc1cccc2ccccc12)C(=O)C#CC(C)(C)C 837331667 SZAIYUSADWHZDX-UHFFFAOYSA-N 279.383 3.848 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1 833309929 JKHPUIJYAVKPCQ-HJWRWDBZSA-N 288.249 3.559 30 20 CHED C=CCCCCCN(C)CC(=O)Nc1c(F)cccc1F 580247625 PTDVPAGNZUSWJR-UHFFFAOYSA-N 296.361 3.582 30 20 CHED N#Cc1ccc(/C=C\c2ccc([N+](=O)[O-])c(Cl)c2)nc1 588509226 DIKIFGXMXVGGKN-RJRFIUFISA-N 285.690 3.685 30 20 CHED CCC#C[C@@H](C)N1CCC(C(F)(F)F)(C(F)(F)F)C1 677133379 SRVVJMHDAZZNAX-SECBINFHSA-N 287.247 3.605 30 20 CHED C#CC[C@H](OC(=O)CCCCC(C)C)c1ccccn1 838797795 AAPNMUBRBNRYET-INIZCTEOSA-N 273.376 3.906 30 20 CHED CCc1ccc(CC/N=C\c2ccccc2O)cc1 735978972 RNALRKLWPMBKNV-AQTBWJFISA-N 253.345 3.616 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C=C1CCC(C)CC1 734101306 GRPKTTPQUGZKGK-UHFFFAOYSA-N 299.370 3.999 30 20 CHED O=C(C#CC1CC1)N[C@@H](c1ccccc1F)C1CCCC1 837462478 CMFZDTKLDCHGFO-GOSISDBHSA-N 285.362 3.587 30 20 CHED C=CCCOCC(=O)N(c1ccc(F)cc1)C1CCCC1 675042152 MKNIUIAUWIILAK-UHFFFAOYSA-N 291.366 3.694 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 594546771 WOAYMUQRJFZFGR-NSHDSACASA-N 269.348 3.585 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1OCC(F)(F)F 837324031 WYRONHQQBWRGPW-UHFFFAOYSA-N 299.292 3.616 30 20 CHED COC(=O)c1cccc(NN=C2CC[C@H]2C2CCC2)c1F 835019002 KGQRKMWNZHBAOR-NSHDSACASA-N 290.338 3.590 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc2c(c1)COC2 743450262 NXXMXHVEZULFJV-UHFFFAOYSA-N 287.750 3.601 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C1CCCCC1 593983632 FQXNGESFSWTKIP-LSDHHAIUSA-N 298.430 3.822 30 20 CHED C=C[C@@H](C)NC(=O)C(C)(C)c1ccc2ccccc2c1 674955745 HEAKHQSYNSOQRP-CYBMUJFWSA-N 267.372 3.808 30 20 CHED CCN(CC)c1ccc(/C=N\[C@@H]2CCS[C@@H]2C)c(O)c1 843264720 RPGSMUNRHJDFBS-QIUTTXHRSA-N 292.448 3.551 30 20 CHED CCC#C[C@@H](C)N1CCC(Nc2cccc(C)c2)CC1 677478838 JLXMYRNKJNJSQO-MRXNPFEDSA-N 270.420 3.673 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)/C=C/Sc1ccccc1 749616082 UCEDHBNACLDHFU-SCOAYWHSSA-N 288.416 3.737 30 20 CHED C=C(C)CCOC(=O)CCOc1cc(C)ccc1C 744307544 XPELMIIETJSABH-UHFFFAOYSA-N 262.349 3.582 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccnn1CC1CC1 849244758 JYUCZIOUCRKNRL-PLNGDYQASA-N 272.373 3.559 30 20 CHED CC1(C)CN(c2nc(C#N)c(Cl)s2)[C@H]2CCC[C@@H]21 596248252 VADDQNWNFAPIKK-WPRPVWTQSA-N 281.812 3.683 30 20 CHED COc1ccc(-c2ccc(O)c(C#N)c2)cc1N1CCCC1 593953524 NXKYUIRVCRDCLX-UHFFFAOYSA-N 294.354 3.540 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC(C2CCCC2)CC1)OCC 677310698 RFQQNMOEASUNIL-QGZVFWFLSA-N 293.451 3.787 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)[C@H](C#N)CCc1ccccc1 598461547 JESBQXYBWKWBOP-RYQLBKOJSA-N 298.430 3.939 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1c(F)cccc1SCC 844666706 JXMGTXLDFURJGF-SECBINFHSA-N 284.356 3.565 30 20 CHED CN(C(=O)C1[C@H]2CCCCCC[C@H]12)c1ccc(C#N)cc1 598814450 LNKSOILEYLGBJV-HOTGVXAUSA-N 282.387 3.737 30 20 CHED C#CC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 742076547 OXBGMHBDCMUJEF-CHWSQXEVSA-N 296.197 3.625 30 20 CHED N#CCC1CCN(C(=O)c2ccc(C(F)F)cc2F)CC1 594341726 SKBSHGLMWYLDFZ-UHFFFAOYSA-N 296.292 3.529 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccccn1 842710275 LSOANFZDSLYSIB-LZWOXQAQSA-N 285.387 3.762 30 20 CHED COc1ccc(N=Cc2cc(Cl)ccc2O)cc1F 915983210 UCJVSXZSWOFVQN-UHFFFAOYSA-N 279.698 3.944 30 20 CHED CC[C@H](C#N)C(=O)NC1CCC(C)(c2ccccc2)CC1 593535871 GUQZRFZFJYRFFT-MXWWQKGMSA-N 284.403 3.553 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H]1c1cc(C)ccc1C 593527649 CNLCJNRYCCDPLH-ZBFHGGJFSA-N 270.376 3.517 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(C2CC2)c1 593995551 XAOICSXVEUUKBI-KRWDZBQOSA-N 270.376 3.622 30 20 CHED Cc1ccc(C#N)nc1N[C@@H](C)CCOCc1ccccc1 596236108 PYQCDWNVEKEDPB-HNNXBMFYSA-N 295.386 3.669 30 20 CHED COc1ccc([C@H](C)NCCc2ccc(C#N)cc2)c(F)c1 595059589 GVFDKNAEJABNRM-ZDUSSCGKSA-N 298.361 3.599 30 20 CHED CCCCCCCCCC(=O)N(C)c1ccc(C)nn1 846895093 IDIILSSXVXBURG-UHFFFAOYSA-N 277.412 3.889 30 20 CHED C#CC1CCN(C(=O)C[C@@H](CC)c2ccc(C)cc2)CC1 843706645 XMQDKZQHEAPWTH-QGZVFWFLSA-N 283.415 3.751 30 20 CHED CCC#C[C@H](C)N1CCO[C@H](c2cccc(Cl)c2)C1 681032300 MJXNCTHKXWFGNC-BBRMVZONSA-N 277.795 3.515 30 20 CHED C=C(C)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 590925875 ZZPZPLHNPBRQTA-HNNXBMFYSA-N 254.377 3.923 30 20 CHED Oc1ccc(Cl)cc1/C=N/C[C@H]1CCOC2(CCC2)C1 840708156 USEFJKXWBWSDFA-HWQJWEFDSA-N 293.794 3.814 30 20 CHED C=CCCn1cc(CN(C)c2ccc(C(C)C)cc2)nn1 846819086 ZFRQQJZASOYRSI-UHFFFAOYSA-N 284.407 3.614 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(C)c(C)cc1Cl 844693114 UCZGNILCOAEOJW-SNVBAGLBSA-N 268.744 3.584 30 20 CHED COC[C@H](C)NN=C1CC[C@@H](c2cccc(Cl)c2)C1 841632853 XFMNEHPHAJQHCC-WCQYABFASA-N 280.799 3.588 30 20 CHED Fc1cccc(NN=Cc2ccccc2OC(F)F)c1 920383759 KEEYNGCSFONNCH-UHFFFAOYSA-N 280.249 3.873 30 20 CHED CCON=Cc1cn(-c2ccccc2)nc1C(C)(C)C 758374904 ZBYPTNZRDBIVTM-UHFFFAOYSA-N 271.364 3.540 30 20 CHED Cc1ccc(-c2ccc(C=NNC3CC3)s2)cc1 758132401 CNWNOPRCUSYYOG-UHFFFAOYSA-N 256.374 3.809 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1ccccn1)CC(C)C 922335954 RJIQRMWZRPSFKU-HNNXBMFYSA-N 289.423 3.604 30 20 CHED C=CCC1(C(=O)N2CCNc3ncc(C)cc32)CCCCC1 858000484 IGAAXJIWECVDGE-UHFFFAOYSA-N 299.418 3.675 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc(Cl)cc1 755813059 BPDQFEZAKWOYDQ-CYBMUJFWSA-N 253.729 3.607 30 20 CHED COc1nc2ccccc2cc1C=NOCc1ccccc1 755632524 QEJWCEYSDAKINV-UHFFFAOYSA-N 292.338 3.794 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 755293966 XREQLJOQSYRNNN-XJKSGUPXSA-N 272.392 3.868 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1ccc(OCC#N)cc1 753500753 SUIAEOGGAPUTBM-UHFFFAOYSA-N 289.375 3.704 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(CC)s1 853002188 ILYWQCVVNBGQFP-ALCCZGGFSA-N 274.389 3.813 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1cc(O)ccc1O 757468819 YGYOVAWIKXMULS-CYAIPPBNSA-N 280.323 3.940 30 20 CHED C#CC[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 756953047 HNFBGWMZCQDYMZ-HNNXBMFYSA-N 284.290 3.910 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)Cc1cnc[nH]1 851967282 IDTVJTLQHLFTHX-CQSZACIVSA-N 294.443 3.548 30 20 CHED C=C[C@@H](OC(=O)c1c(CC)noc1C)c1ccccc1 857659459 YDNUYFYDYWVBNP-CQSZACIVSA-N 271.316 3.630 30 20 CHED C#C[C@](C)(CC)NC(=O)c1ccc(-c2csc(C)n2)cc1 854704335 QGNXRBQQCDPXPH-QGZVFWFLSA-N 298.411 3.650 30 20 CHED C=CCCN1CCC[C@@H]1c1cncc(Br)c1 932254247 VDSGBAMPNBYOEP-CYBMUJFWSA-N 281.197 3.557 30 20 CHED CC(C)Oc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 765928973 QRAYAXJZGMHQJD-HOCLYGCPSA-N 272.392 3.646 30 20 CHED COc1cc(/C=C/C(=O)c2cscn2)ccc1SC 769258961 FZMCDOOCZWOOIV-HWKANZROSA-N 291.397 3.770 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)OCc1ccc(F)c(C#N)c1 769175146 FAZALFNHHNKYON-AAEUAGOBSA-N 275.323 3.567 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)c(F)cc1OC 936030736 JSBKYAWTIDTFQS-VIFPVBQESA-N 269.291 3.514 30 20 CHED CC(C)(C)CC(=NNc1ncc(F)cn1)c1ccccc1 760248297 WVQCPKIIEMNZOY-UHFFFAOYSA-N 286.354 3.868 30 20 CHED CC[C@H](C)N(CC)C(=O)Nc1scc(C)c1C#N 931412431 HMNBRSICWKPMCA-JTQLQIEISA-N 265.382 3.581 30 20 CHED C=CCCCCCN(C)C(=O)Nc1noc2c1CCCC2 934359425 RHFCBBNREQQBLN-UHFFFAOYSA-N 291.395 3.764 30 20 CHED C=C(Cl)CNCc1ccccc1N1CCCCC1 763431078 ALDCOJDDUDOJRL-UHFFFAOYSA-N 264.800 3.519 30 20 CHED COc1ccsc1/C=C1\CCCC(C)(C)C1=O 764443226 WAQPACZYBAJZRJ-MDZDMXLPSA-N 250.363 3.919 30 20 CHED CCCCC[C@H](C(=O)N[C@@H](C#N)CC(C)C)C(C)C 768145146 XUBNLGODHGGDHF-CABCVRRESA-N 266.429 3.893 30 20 CHED CCCCCCC[C@H](C)NC[C@](C)(O)c1ccco1 768517610 NSYVAZDXDJCVIA-HOCLYGCPSA-N 267.413 3.826 30 20 CHED CCCCCCCNC(=O)c1ccc(C(F)F)nc1 862354615 BYCYGQYSQGIAQR-UHFFFAOYSA-N 270.323 3.719 30 20 CHED CC(C)(C)c1ccc(C=NOCc2ccccn2)cc1 767534163 NFNMLSYZWUPWDY-UHFFFAOYSA-N 268.360 3.930 30 20 CHED CCC(C)(CC)C(=O)OCc1ccc(CC#N)cc1 767121349 DMAJOLUFLAYZCI-UHFFFAOYSA-N 259.349 3.622 30 20 CHED C[C@@H](OC(=O)C(C1CC1)C1CC1)c1cccc(C#N)c1 764616146 ZNZKUKGEDOTMOE-LLVKDONJSA-N 269.344 3.599 30 20 CHED C[C@@H](NN=Cc1cccc(-n2cccn2)c1)c1ccccc1 760254188 SMZOMDCCKURGAA-OAHLLOKOSA-N 290.370 3.557 30 20 CHED C#CCCCC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 760129777 BQMIKYUYRQGRQY-MRXNPFEDSA-N 294.398 3.677 30 20 CHED COc1ccc2oc(C=NNc3ccccc3)cc2c1 763337752 FGQYBCYCTADOHQ-UHFFFAOYSA-N 266.300 3.887 30 20 CHED C/C(=C/C1CCC(C)CC1)C(=O)N1CCC[C@@H](CC#N)C1 869230706 JULHKRJMLYGQRE-NYAOFWHDSA-N 288.435 3.911 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ncccn1)CCCO2 767770740 LIDNMFOUGKPGCE-UHFFFAOYSA-N 296.374 3.589 30 20 CHED COCc1cccc(C=NNCc2ccc(Cl)cc2)c1 764719104 STPUFTXBVIDJRK-UHFFFAOYSA-N 288.778 3.610 30 20 CHED O=C1/C(=C/c2nc3c(s2)CCCC3)Cc2cc(F)ccc21 776266392 QPTOMMXINDRRGS-PKNBQFBNSA-N 299.370 3.983 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 779743761 UFLCLAXMTAZARU-UHFFFAOYSA-N 294.738 3.770 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1nc(-c2ccncc2)cs1 872123720 ZKXQOSBLRQYQCH-OLZOCXBDSA-N 287.432 3.895 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Oc2ccc(C#N)cc2)cc1 779193965 IOANXGNCNPLDSH-CQSZACIVSA-N 279.339 3.651 30 20 CHED CCCCCCCCC(=O)N[C@@H](CO)c1ccccc1C 771212906 PKNUKIBGSYHEIP-KRWDZBQOSA-N 291.435 3.895 30 20 CHED CCCCCCCC(=O)OCc1ccc(CO)cc1 778778660 IRMSKEOCEJDKEI-UHFFFAOYSA-N 264.365 3.583 30 20 CHED C#CCCCCCC(=O)N1CCCc2cccc(F)c21 779776484 ODICXCSTXAACHI-UHFFFAOYSA-N 273.351 3.689 30 20 CHED COc1cccc(O)c1C=Nc1cccc(C)c1F 775630599 MXLICPKQBSDTOR-UHFFFAOYSA-N 259.280 3.599 30 20 CHED C=CCCCOC(=O)[C@H](C)c1cn(C)c2ccccc12 772852441 ULUDUVUZMRKKHB-CYBMUJFWSA-N 271.360 3.791 30 20 CHED C#CCCCCCC(=O)NCc1cc2c(s1)CCCC2 779854736 XGLRHQZFSNPNMH-UHFFFAOYSA-N 289.444 3.827 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)CCCC=C)c1 776203570 QUQIRPFLBBIEKL-CYBMUJFWSA-N 272.417 3.699 30 20 CHED CC(Cc1ccncc1)=NN[C@@H]1CCCCC1(C)C 773125764 QKKNGIVUMUWDIR-OAHLLOKOSA-N 259.397 3.558 30 20 CHED C=CCN(C(=O)c1cc(C)nn1C(CC)CC)C(C)C 775712788 IENYGLDDYFBMIE-UHFFFAOYSA-N 277.412 3.589 30 20 CHED COc1cccc2cc(C(=O)OCCC(C)(C)C#N)oc12 776376025 WSCVEPLNPUOLNM-UHFFFAOYSA-N 287.315 3.538 30 20 CHED CCc1ccc(CNc2ccc(F)cc2OCC#N)s1 779609235 KYIQWJGQCQMDDB-UHFFFAOYSA-N 290.363 3.964 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](CC=C)c1ccncc1 776044737 LNLRHWLOPUSQNO-GOEBONIOSA-N 287.407 3.743 30 20 CHED COc1cccc(/C=N\[C@@H](C)c2ccc(N(C)C)cc2)c1O 773907899 VWWKFGYMYWXNJC-QXGSTRBFSA-N 298.386 3.647 30 20 CHED C#CCC1(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1 788194945 PFNMKMKWUVFRTM-JYJNAYRXSA-N 273.420 3.513 30 20 CHED CC[C@@H](NC(=O)c1sccc1C#N)c1ccc(F)cc1 1127464742 YURHWEUUKWEEQK-CYBMUJFWSA-N 288.347 3.640 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc2cccc(OC)c2o1 787309662 KZPMEMMFDOLOMB-CQSZACIVSA-N 271.360 3.982 30 20 CHED C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1(C)C 888364572 GJBSPCGNZCWEGS-NSHDSACASA-N 289.354 3.597 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NNc1ccccn1 785449335 JKKUBSMWVHFBBO-UHFFFAOYSA-N 279.265 3.855 30 20 CHED CCCCc1nnc(S)n1N=C[C@@H]1CCCC[C@H]1C 783798822 JBCKDDRVLOPPIQ-NEPJUHHUSA-N 280.441 3.570 30 20 CHED CCOc1cccc(/C=N/[C@@H]2C[C@H]2c2cccc(F)c2)c1O 788316969 DVTYBNIWQURSAY-PWIMYCEHSA-N 299.345 3.905 30 20 CHED CCn1c(C)cc(C=NN[C@@H]2CCCC2(C)C)c1C 782287674 NHYFOFRCIRXHDP-OAHLLOKOSA-N 261.413 3.627 30 20 CHED O=C(/C=C\c1coc(-c2ccccc2)n1)c1cncs1 787170764 BLDBTZCZYQKPDS-SREVYHEPSA-N 282.324 3.694 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1cnc2ccccc2n1 783839747 QWJVFHIFBNXMSM-STQMWFEESA-N 268.364 3.854 30 20 CHED CC(C)[C@H](C)N(C(=O)c1ccc(C#N)cn1)c1ccccc1 894226210 OIFRKECROJLEMA-AWEZNQCLSA-N 293.370 3.645 30 20 CHED C#CC[C@@H](NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 780012220 BDBFAULGHUPVOA-MXSMSXNCSA-N 283.415 3.940 30 20 CHED CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccsc1 892558052 JAVRNVLGSUQJSL-CQSZACIVSA-N 284.384 3.798 30 20 CHED C#CCCCNc1cccc(CCC(=O)OC(C)(C)C)c1 795044127 AJRALPGRKMJASF-UHFFFAOYSA-N 287.403 3.786 30 20 CHED C=C1CC(c2noc(-c3ccccc3OC3CC3)n2)C1 896877423 QSDMEZCZWFCRDA-UHFFFAOYSA-N 268.316 3.711 30 20 CHED C[C@H]1CC(=NNc2cccc(Cl)n2)C[C@H](C)C1 793164814 ZQSWLPPKNSQDJO-NXEZZACHSA-N 251.761 3.959 30 20 CHED C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C#N)C(C)(C)C 797270098 RFRXOQDNZAVVBJ-BBRMVZONSA-N 298.386 3.759 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC23CCC3)cc1C 799868607 ZVFSWLXQJXHZIO-UHFFFAOYSA-N 287.432 3.910 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@](C)(CC)CCC)c1 793414007 PNFVUUFDDJARMZ-QGZVFWFLSA-N 257.377 3.847 30 20 CHED CN(C/C=C\c1cccc(F)c1)Cc1cccc(C#N)c1 1205077792 SVASORIGNYHNBP-YWEYNIOJSA-N 280.346 3.843 30 20 CHED C=CCCOCCCCC(=O)Oc1cc(F)c(F)cc1C 791403451 QNAXXZHTWMIYIU-UHFFFAOYSA-N 298.329 3.942 30 20 CHED CN(C)c1ccc(/C=C2/CCc3ccc(O)cc3C2=O)cc1 794960167 MUZOXUPYMIPEIU-PTNGSMBKSA-N 293.366 3.671 30 20 CHED N#Cc1cccc(COC(=O)[C@H](F)CC2CCCCC2)c1 796208127 YUBCRJBLNTXCBA-MRXNPFEDSA-N 289.350 3.910 30 20 CHED CC1(C)CC[C@H](C(=O)[C@H](C#N)c2cnc3ccccc3n2)C1 792110835 UOGSXSJSDOYVAQ-QWHCGFSZSA-N 293.370 3.632 30 20 CHED CCOCc1cc(C=NN[C@@H](C)C(C)(C)C)ccc1OC 793118035 ZOGAGUJPWLGWQB-ZDUSSCGKSA-N 292.423 3.590 30 20 CHED COCC[C@H]1CCCC1=NNc1cc(F)c(F)c(F)c1 799881211 JAZITRWMBWKSLA-SECBINFHSA-N 286.297 3.708 30 20 CHED N#CC[C@H](CC(=O)OCc1ccsc1)c1ccccc1 796729690 COBMFHSOJHWVKE-OAHLLOKOSA-N 285.368 3.879 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)CCCc1ccccc1)C(C)C 799046388 HXRNBVORDGTTTB-QGZVFWFLSA-N 285.431 3.810 30 20 CHED C#CCOc1ccc(CNCc2ccc(C3CC3)cc2)cc1 790995379 ODSGTAYRGAEBHB-UHFFFAOYSA-N 291.394 3.866 30 20 CHED c1ccc([C@H]2CCCC2=NNC2CCCCC2)nc1 794933560 YAPYOKCNUVEZFO-CQSZACIVSA-N 257.381 3.627 30 20 CHED CCN(C[C@H](C)CCC#N)[C@H](COC)Cc1ccccc1 1308621258 GHXUTAVOABUFOL-AEFFLSMTSA-N 288.435 3.506 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cccc(Cl)c1F 135185840 QKEOEGRXLUQEAF-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 1310384817 IIGZKHQPUAZLRE-YABSGUDNSA-N 289.354 3.644 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@@H](C#N)C2CCCCC2)CC1 393304247 CPWYLIIDZBPXJL-BPUTZDHNSA-N 276.424 3.791 30 20 CHED C[C@H]1CCCC[C@@H]1CN1CCc2c(C#N)cccc21 1171345055 VAGCPCCNTZQGGA-DZGCQCFKSA-N 254.377 3.747 30 20 CHED N#Cc1cccc(OCc2cscc2Br)c1 515118716 IWPFZSABZUIMAI-UHFFFAOYSA-N 294.173 3.961 30 20 CHED Cc1ccoc1CC(=O)OCCC1(C#N)CCCCC1 1328009161 RQCAHYAEGCXMSK-UHFFFAOYSA-N 275.348 3.538 30 20 CHED C[C@H]1CCCC[C@H]1OCc1nnc(-c2ccc(C#N)cc2)o1 1328348089 NQLDXIHWUCPDHQ-SWLSCSKDSA-N 297.358 3.704 30 20 CHED C=CCOCCN(C)Cc1c(Cl)cccc1Cl 549796592 CZZNQPZHHQGLIA-UHFFFAOYSA-N 274.191 3.628 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(C(C)(F)F)cc1 550354662 WBNZSAIANYFHEP-UHFFFAOYSA-N 280.318 3.563 30 20 CHED N#CCC[C@H](NCc1cccn1C1CC1)c1ccccc1 1325116669 CXYYDWWGYZPFHX-SFHVURJKSA-N 279.387 3.958 30 20 CHED CCCCCCCN(C)Cc1nccn1CC(F)(F)F 740876373 SCGZGNHWEWOEOG-UHFFFAOYSA-N 291.361 3.848 30 20 CHED Cc1cc(C)cc(OCc2nnc(C3(C#N)CCCC3)o2)c1 1257678870 GNACUYBLRHBPJR-UHFFFAOYSA-N 297.358 3.601 30 20 CHED N#Cc1cc(Sc2cc(Cl)ccc2F)ccn1 1186397770 ZRBLIIOZLLEXFZ-UHFFFAOYSA-N 264.712 3.897 30 20 CHED C=CCCSCCNc1ncccc1C(F)(F)F 596413763 VQVZBJHULMVFTB-UHFFFAOYSA-N 276.327 3.822 30 20 CHED CCCOc1ccc(Nc2ncc(C#N)cc2F)c(C)c1 1184972973 NHYRRSSCVPOSIS-UHFFFAOYSA-N 285.322 3.933 30 20 CHED C=C(C)CCC(=O)Nc1ccc(F)cc1SC 1337332808 BLBMXMRMYNRKEH-UHFFFAOYSA-N 253.342 3.842 30 20 CHED CC#CCCCC(=O)N(CC(C)(C)C)c1cccc(C)n1 1332495560 NKNMJQPLPOPOPQ-UHFFFAOYSA-N 286.419 3.963 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1c(F)cccc1F 695735702 AZAXEHALKWREMV-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(OC)ccc1OC(F)F 1332853593 MEFFZFXOUVTQNB-SNVBAGLBSA-N 299.317 3.837 30 20 CHED N#CC[C@@H](OC(=O)[C@@H]1CCc2cc(F)ccc21)c1ccco1 1345977764 WKHJHDVQILTYKO-GDBMZVCRSA-N 299.301 3.647 30 20 CHED CCc1ccc2c(c1)CCN2Cc1cccc(C#N)c1F 1198587292 QUSPWGUBBCRYPI-UHFFFAOYSA-N 280.346 3.822 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1cccc(F)n1 1342701252 WUTCXHYAPZLHFP-AGIUHOORSA-N 274.339 3.613 30 20 CHED Cc1cc(CNCc2cccc(Cl)c2F)ccc1C#N 1343794714 ODXXOCYLMVIICO-UHFFFAOYSA-N 288.753 3.949 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1coc2c(C)cccc12 1340895633 VEXBUAFBCIFYDN-GFCCVEGCSA-N 270.332 3.506 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1cnccc1C 1263723035 LVHPCNKGGPTWND-LSDHHAIUSA-N 287.407 3.591 30 20 CHED C[C@H](CCC(=O)OCc1ccc(C#N)cn1)c1ccccc1 1343754730 XPOJPFPEBKKBQP-CQSZACIVSA-N 294.354 3.580 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)CCCCCC(C)C 1346096745 UJFTVLZRYKMUOG-AWEZNQCLSA-N 275.396 3.686 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCC[C@@H](C)CC1 1356019128 JQIKWJOKMBHDNP-CHWSQXEVSA-N 294.468 3.515 30 20 CHED CCCCC(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1517123647 MJPAMQQYCHSMCP-VIFPVBQESA-N 275.739 3.583 30 20 CHED C=C(Cl)COC(=O)Cc1csc(-c2cccs2)n1 804762166 QWXAEARUSPJVHE-UHFFFAOYSA-N 299.804 3.710 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@@H]1c1cc(C)no1)c1ccccc1 1527451902 QMQQXOHIKSNDBE-HZPDHXFCSA-N 296.370 3.616 30 20 CHED Cc1cc(C)cc(C(=O)O[C@@H](CC#N)c2ccco2)c1 1526994054 YWFBKZJDQUDMTO-HNNXBMFYSA-N 269.300 3.708 30 20 CHED COc1cc(C#N)ccc1CN[C@@H]1CCC(C)(C)C[C@H]1C 1617401678 OLWQPWAGHUAIJB-CZUORRHYSA-N 286.419 3.871 30 20 CHED COc1cc(C)cc(NC(=O)c2cc(C#N)ccc2C)c1C 1543952851 UPMQSCGAXCITBJ-UHFFFAOYSA-N 294.354 3.744 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1C#N 1624564174 HKFFVDSGJMOQEJ-GIPNMCIBSA-N 291.420 3.874 30 20 CHED N#Cc1c(F)cccc1SCc1nc2ccccc2[nH]1 1559208674 RORBAVRXCLAPHJ-UHFFFAOYSA-N 283.331 3.866 30 20 CHED CCCCCCCCCC(=O)N1CC[C@@H](C)[C@H](C(=O)O)C1 1573841247 RMDTTYSUVRFQHT-HUUCEWRRSA-N 297.439 3.696 30 20 CHED CC[C@@H](C)[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)OC 1640999119 OOZKGZZAEPGHMT-NOZJJQNGSA-N 297.807 3.891 30 20 CHED COC(=O)c1ccc(SCC2(C#N)CCCC2)cc1 1652593413 XRPAGZYBSYFHDK-UHFFFAOYSA-N 275.373 3.649 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1Nc1ncc(C#N)cc1F 1650821245 SASRCCMAKHSWOR-GWCFXTLKSA-N 261.344 3.719 30 20 CHED Cc1cc(OCc2cccc3ncccc23)ccc1C#N 1652810061 SBLSFYLRWKUBKP-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C[C@H](CNc1n[nH]cc1C#N)Cc1ccc(C(C)(C)C)cc1 1656220862 FTYZUEOKDVWDQQ-ZDUSSCGKSA-N 296.418 3.870 30 20 CHED Cc1cc(C#N)cc(N[C@@H]2CCc3cccnc3CC2)c1 1657528704 POGMCDKNAMYMTF-MRXNPFEDSA-N 277.371 3.621 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCC(C)(C)c1ccccc1 1585347091 IRNZQJUJUWZREH-INIZCTEOSA-N 286.419 3.895 30 20 CHED N#Cc1ccnc(COc2c(F)cc(Cl)cc2Cl)c1 1652055961 QCLIKDDHRCYYOW-UHFFFAOYSA-N 297.116 3.978 30 20 CHED C=CCC[C@H](CCC)Nc1ccc(C(=O)O)cc1OC 1588777997 OPPYYOPOAXHDDY-ZDUSSCGKSA-N 277.364 3.940 30 20 CHED N#Cc1cnc(Sc2cccc(F)c2C#N)c(Cl)c1 1651186843 FMJNNVQSWJKMND-UHFFFAOYSA-N 289.722 3.769 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)c1ccc2ccccc2c1 1584800192 KPKAUFVOMUOZBJ-UHFFFAOYSA-N 298.345 3.914 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1cc(F)cc(C#N)c1 1596855387 FXIRQQIIBZGZGQ-AWEZNQCLSA-N 266.291 3.554 30 20 CHED C[C@@H](CNc1ccc(OCC#N)cc1)c1ccccc1 20126584 BJVUEODVOCAKEK-AWEZNQCLSA-N 266.344 3.805 30 20 CHED CC1(C)CCC/C(=C/c2csc(C(=O)O)c2)C1=O 1776548666 VUQCSEHHZWWCIE-POHAHGRESA-N 264.346 3.609 30 20 CHED C=CCCC1(C(=O)O)CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 1776168444 PHSWWDSYFVVMQM-IAGOWNOFSA-N 299.414 3.676 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc2ccccc2c1O 168845092 WKQHCPAWVUHCBF-CQSZACIVSA-N 285.387 3.789 30 20 CHED Cc1nc(CC(C)C)c(C(=O)Nc2ccc(C#N)cc2)s1 151998331 LCNCTYVKXPYUMF-UHFFFAOYSA-N 299.399 3.774 30 20 CHED Cc1cc(N2CCCC2)ccc1NCc1ccc(C#N)o1 155376430 KYEVZRBANGQROX-UHFFFAOYSA-N 281.359 3.672 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)cc2OC)cc1 209439531 KIYLVAIHSFSLAP-XFFZJAGNSA-N 282.339 3.908 30 20 CHED C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 6343180 SZBSCRKMOCWIAB-LLVKDONJSA-N 284.746 3.703 30 20 CHED N#C[C@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 932158200 AHYVKNBAJGVRJD-GFCCVEGCSA-N 275.421 3.536 30 20 CHED FC(F)C(F)(F)CN[C@H](c1ccccc1)C(F)(F)F 227767742 JEHSSTSCFOIWDK-MRVPVSSYSA-N 289.194 3.780 30 20 CHED C[C@H]1CCC[C@H](c2noc(-c3cccc(C#N)c3)n2)C1 230997542 SLIPDIPTTFARKA-AAEUAGOBSA-N 267.332 3.902 30 20 CHED N#Cc1cccc(CSc2ccc3c(c2)OCCO3)c1 6916309 LECLUVNBZLJGTN-UHFFFAOYSA-N 283.352 3.622 30 20 CHED Cc1ccccc1CS(=O)(=O)CCCCC(C)(C)C#N 235780486 RFDADMAPFHDYGH-UHFFFAOYSA-N 293.432 3.630 30 20 CHED N#CCOc1cccc(NCc2cccc(Cl)c2)c1 37069625 UFJRZUYWVVCDQQ-UHFFFAOYSA-N 272.735 3.854 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1cccc(OCC#N)c1 37294488 UFLWEPOTZSGJLG-NVXWUHKLSA-N 272.392 3.647 30 20 CHED CCCC1(CN[C@@H](C)c2ccc(OCC#N)cc2)CC1 182016334 RXWQRZJHDUNVSR-AWEZNQCLSA-N 272.392 3.820 30 20 CHED CCC(C)(C)OCCNc1nc(C)c(C#N)cc1Cl 308511293 HUXUAYGHJQZVQL-UHFFFAOYSA-N 281.787 3.532 30 20 CHED N#Cc1cc(NCCC(F)F)ccc1C(F)(F)F 311005186 WDEPQNXUUXERRY-UHFFFAOYSA-N 264.197 3.644 30 20 CHED N#Cc1cc(F)ccc1CSC1(CO)CCCCC1 313156688 YAWGMJLFIZRDPR-UHFFFAOYSA-N 279.380 3.626 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cc1 320276778 MUDSXAUUEZVXBO-BXUZGUMPSA-N 287.325 3.683 30 20 CHED C=CCN(Cc1ccccc1)Cc1nc(C)c(C)s1 81648874 OUXSBHNKKZUSLW-UHFFFAOYSA-N 272.417 3.948 30 20 CHED Cc1cccc2nc(-c3ccc(C#N)cc3F)[nH]c12 535364121 FAEDVDWHEPJTTF-UHFFFAOYSA-N 251.264 3.549 30 20 CHED COc1ccc(CNc2cc(F)ccc2C)cc1C#N 87822399 WGPLITLCLXNVKT-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1nc(N[C@H](C)CCc2ccco2)c(Cl)cc1C#N 336829331 CMXAMWIZJBRMSZ-SNVBAGLBSA-N 289.766 3.941 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC[C@@H](C)SC 358552156 IPXCKDSKZGLZRK-CQSZACIVSA-N 277.433 3.733 30 20 CHED C[C@@H](N[C@H]1CCC12CCCC2)c1ccc(C#N)cc1 474061074 SRUBWYLMFACKAR-CJNGLKHVSA-N 254.377 3.932 30 20 CHED N#Cc1cc(Cl)ccc1NCC1CC(F)(F)C1 383114641 ATZBMHIATBYVHN-UHFFFAOYSA-N 256.683 3.669 30 20 CHED Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 7042327 OCBQALLGDTVJHQ-CQSZACIVSA-N 293.370 3.614 30 20 CHED Cc1cc2c(cc1O)C=C1C=CC(=O)C(C)(C)[C@@H]1CC2 12153305 CGDLYSDMNSOBAM-OAHLLOKOSA-N 268.356 3.812 30 20 CHED biogenic CC(=O)c1cc(Cl)ccc1OCc1ccc(C#N)cc1 21024618 WKTNXIVDMPAAOC-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CC(C)=CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 22900491 WUGHVQSTPYGDQL-UHFFFAOYSA-N 297.383 3.510 30 20 CHED COCc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 37270747 WRFVIACSVZVRRK-CYBMUJFWSA-N 266.344 3.878 30 20 CHED C[C@@H](NC[C@H]1Cc2ccccc21)c1ccc(C#N)cc1 37565361 ZIQFZZXQYGMOKC-CXAGYDPISA-N 262.356 3.549 30 20 CHED COc1ccc(Cl)c(NCc2cc(C#N)ccc2F)c1 43317807 YDWKGZJNAFQUSJ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)s1 43640009 SGQVNQSOGLDEGX-ZDUSSCGKSA-N 276.405 3.513 30 20 CHED C#Cc1cccc(NC(=O)c2cc(SC)ccc2C)c1 48429183 HGMOAYBPOYKOJL-UHFFFAOYSA-N 281.380 3.951 30 20 CHED N#Cc1ccc(CNCC2(c3ccccc3)CCC2)cc1 48710285 DWEQKKIFJRBPKU-UHFFFAOYSA-N 276.383 3.770 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCc1nccs1 50234227 HVIAZFUITDIZHG-GZTJUZNOSA-N 282.368 3.664 30 20 CHED C[C@H](Sc1ccc2ccccc2c1)C(=O)N(C)CCC#N 52440240 AVXLGGUBTDOLJS-ZDUSSCGKSA-N 298.411 3.692 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(C(F)(F)F)cc1 54178306 FVHPTCDXVYPPCE-JTQLQIEISA-N 285.269 3.519 30 20 CHED C=CCSCC(=O)Nc1ccc(C)cc1Cl 59271430 UQOJJUCHUDDUEG-UHFFFAOYSA-N 255.770 3.506 30 20 CHED CCCCCC[C@@H](C)CC(=O)N1CCC(C#N)CC1 67915758 LBKJGDYOTFNBRS-CQSZACIVSA-N 264.413 3.745 30 20 CHED C[C@@H]1CC[C@H](NCc2cccc(OCC#N)c2)[C@H](C)C1 70110535 TYRUZYFLXSEXEF-CPUCHLNUSA-N 272.392 3.503 30 20 CHED CC(C)[C@@H]1CCCN(c2nc3c(cc2C#N)CCC3)CC1 71029191 AFYNGZRYDRPEJT-CQSZACIVSA-N 283.419 3.704 30 20 CHED CC(C)CCCNc1nc(C(F)(F)F)ccc1C#N 78833542 ZZUQOYMBBGZXKH-UHFFFAOYSA-N 271.286 3.820 30 20 CHED C=CCNC(c1cccc(OC)c1)c1cccc(OC)c1 89118420 UEYKTBLURFLTOR-UHFFFAOYSA-N 283.371 3.569 30 20 CHED N#Cc1ccncc1N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 89268915 PDRMZTJYSIVIKP-HOCLYGCPSA-N 299.761 3.549 30 20 CHED CCC[C@@H](C#N)NC(=O)C(C)(C)Cc1cccc(Cl)c1 92004294 GPMIHBYZJAKHTE-AWEZNQCLSA-N 292.810 3.717 30 20 CHED Cc1nsc(NCc2ccccc2C(F)(F)F)c1C#N 92912348 SVYQYNWFXDTMJP-UHFFFAOYSA-N 297.305 3.954 30 20 CHED C[C@H](N[C@H](C)C[C@@H]1CCCCCN1)c1ccc(C#N)cc1 93515132 XCXIKWQMLZFANS-VKJFTORMSA-N 285.435 3.520 30 20 CHED N#Cc1cccc(CNCc2cccc(C3CC3)c2)c1 94519104 DAVPFXLDLHCXBL-UHFFFAOYSA-N 262.356 3.725 30 20 CHED N#Cc1ccc(Cn2ccc(-c3ccsc3)n2)cc1 106437517 MVXAAKTVULPLCI-UHFFFAOYSA-N 265.341 3.532 30 20 CHED Cc1ccc(-c2cc(CO/N=C(/N)C3CCCC3)on2)cc1 108203579 KMELTJXDAPLCSS-UHFFFAOYSA-N 299.374 3.629 30 20 CHED CCCCCCCC(=O)Nc1cccc([S@](C)=O)c1 110022782 XFPHQPLWAUOSLZ-LJQANCHMSA-N 281.421 3.723 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)C1(C#N)CCCCC1 115139139 MBNDGDDXLXMPRV-RDJZCZTQSA-N 296.414 3.865 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 116958840 XUVWBOGBGLXMPO-IMJJTQAJSA-N 272.392 3.587 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)c(OCC(F)F)c1 117005182 GHENOZGFOVGOLQ-LLVKDONJSA-N 298.333 3.725 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1cccc(OC(F)F)c1 119603195 YWLCRBIQUFTKJD-GFCCVEGCSA-N 295.329 3.659 30 20 CHED CC(C)(C#N)CCN1CCO[C@H](c2ccccc2Cl)C1 119911516 VVWZUYNBGIEUMW-HNNXBMFYSA-N 292.810 3.653 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1csc2c1CC[C@@H](C)C2 120701110 SUMHLUMCAPIXGY-BZNIZROVSA-N 290.432 3.541 30 20 CHED C=CCCC(=O)Nc1cc(C)ccc1Br 121270504 IGHHEGOLYFXCSS-UHFFFAOYSA-N 268.154 3.662 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H](CC1CCCCC1)C(C)C 123500618 OMWYMWXFFQQUGL-CABCVRRESA-N 264.413 3.647 30 20 CHED C=CCSCCNC(=O)[C@@H](C)Cc1cccc(Cl)c1 124011768 YIOQUMHAMPTQMP-LBPRGKRZSA-N 297.851 3.554 30 20 CHED N#CCN(C(=O)CCc1cccc(Cl)c1)C1CCCC1 125136454 WBQQIAYUXKEETI-UHFFFAOYSA-N 290.794 3.567 30 20 CHED C=C(Br)CN[C@@H](c1ccccc1)C1CC1 128079877 PKSWVIQBHFAWAX-ZDUSSCGKSA-N 266.182 3.636 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2ccc(CC#N)cc2)C1 131597771 LJFNSIWEOHQCCM-GXTWGEPZSA-N 256.349 3.517 30 20 CHED C=CCC(CC=C)C(=O)NCc1ccc(Cl)cc1OC 131779278 WRPQASPGMSOPNA-UHFFFAOYSA-N 293.794 3.733 30 20 CHED C=C(C)CN(CC)C(=O)Cc1c[nH]c2ccc(Cl)cc12 132667013 JGYSSHWDDVIOQS-UHFFFAOYSA-N 290.794 3.788 30 20 CHED C=C[C@H](CC(=O)N(CC)c1ccncc1)c1ccccc1 135111822 SBRJKBMYODYVQW-OAHLLOKOSA-N 280.371 3.794 30 20 CHED N#Cc1ccc(CNc2ccccc2Br)s1 135511999 WQIBJRIEHKQQST-UHFFFAOYSA-N 293.189 3.994 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)c1ncc[nH]1 140734528 WTIIZFXUDKFNRG-CYBMUJFWSA-N 265.401 3.728 30 20 CHED COc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1 146198332 FLKDHYYPJCFDAT-XNTDXEJSSA-N 264.324 3.826 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc(SC)c(F)c1 152660806 IISOEPPGMZPFOW-AATRIKPKSA-N 290.363 3.660 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(F)cc(Cl)c1 153153185 KPEMEGMIKZYXAO-QMMMGPOBSA-N 256.708 3.565 30 20 CHED Cc1cccc(CC(=O)N[C@H](CCC#N)c2ccccc2)c1 153544716 BELFNDGSVCLUOX-GOSISDBHSA-N 292.382 3.699 30 20 CHED C=CCCCCCN(C)C(=O)NC(C1CC1)C1CC1 153951936 PYZTUKZNMUZJOE-UHFFFAOYSA-N 264.413 3.563 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cc(F)ccc1F 154171211 FBQIYYMTWAUUSV-UHFFFAOYSA-N 296.361 3.853 30 20 CHED CCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 155440130 QQLUNIOODJBSIU-VXGBXAGGSA-N 269.348 3.565 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](OC)c1ccccc1 156868251 RPPPZMILXKUHNZ-MRXNPFEDSA-N 275.392 3.579 30 20 CHED C#CCCCCNC(=O)Nc1cccnc1-c1ccccc1 157208221 JMUARFZGRPHEMI-UHFFFAOYSA-N 293.370 3.674 30 20 CHED N#Cc1cccc(SCC(=O)c2ccccc2F)c1 158695934 YVOYQZZVHIKEMD-UHFFFAOYSA-N 271.316 3.672 30 20 CHED CCCCCCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] 159231697 YGZCWIPNDVVORV-UHFFFAOYSA-N 296.342 3.824 30 20 CHED C=C(C)CNC(=O)CC(c1ccccc1)c1ccccc1 160972705 ZKKWRZXGNVRVSE-UHFFFAOYSA-N 279.383 3.901 30 20 CHED Cc1cccc([C@H](C)Sc2nc(N)c(C#N)cc2C#N)c1 172909384 BHGFRJSVMFZHJV-NSHDSACASA-N 294.383 3.569 30 20 CHED CN(Cc1cccc(C#N)c1)[C@H]1CCc2ccc(F)cc21 177683883 JZCBWEYQZZEWOM-SFHVURJKSA-N 280.346 3.817 30 20 CHED Cn1c(Cl)cnc1CSc1ccc(C#N)cc1Cl 178830548 OYFGQYWFVVWKHZ-UHFFFAOYSA-N 298.198 3.891 30 20 CHED C=CCCC(=O)Nc1ncccc1-c1ccccc1 179468139 OJTWKDQBRSBGTM-UHFFFAOYSA-N 252.317 3.653 30 20 CHED C#CCCCCC(=O)Nc1cccc(-c2ccnc(C)n2)c1 179735518 WUAWNHLFPUWNTE-UHFFFAOYSA-N 293.370 3.584 30 20 CHED C=CCCCC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 180138284 GYWRXKQPOFQBHH-UHFFFAOYSA-N 287.338 3.615 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccccn1 181385199 RDDMVONQDMGBMG-KGLIPLIRSA-N 275.396 3.529 30 20 CHED C=CCCN[C@@H](C)c1ccc(OCC)c(OCC)c1 181388201 RXHFCOKRKSJINZ-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED COCc1ccc(CNc2cccc(C#N)c2C)cc1 181456959 MEGYRWJXICOBGU-UHFFFAOYSA-N 266.344 3.625 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(Oc2ccccn2)c1 181769210 SQYGGMHYVJCGLM-UHFFFAOYSA-N 297.358 3.914 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Cc1cccc(F)c1 182644405 UCHJPWWUZCXUMY-ZIAGYGMSSA-N 277.383 3.865 30 20 CHED Cc1nc(-c2ccccc2)oc1C(=O)O[C@@H](C#N)C(C)(C)C 184932431 CULNJVXLKQNWFM-ZDUSSCGKSA-N 298.342 3.745 30 20 CHED N#CCc1ccc(NCC2=Cc3ccccc3OC2)cc1 185154514 GZDDNEZYMXLKBY-UHFFFAOYSA-N 276.339 3.641 30 20 CHED CC(C)c1ccc(OCCN[C@H]2CCC[C@H](C#N)C2)cc1 185791607 BRDMUCYXOLOUMK-RDJZCZTQSA-N 286.419 3.861 30 20 CHED CC#CCCCC(=O)Nc1cc(C2CCCCC2)nn1C 186046583 NGYXMXMUXGBKLP-UHFFFAOYSA-N 287.407 3.600 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1N[C@@H](C)c1cccc(C#N)c1 186823668 LJLYVYQHEUXDJF-WBAXXEDZSA-N 286.419 3.803 30 20 CHED Cc1nnc(SCc2cc(F)cc(F)c2)c(C#N)c1C 188178646 AUYAJHZOQKXTHK-UHFFFAOYSA-N 291.326 3.536 30 20 CHED Cc1ccccc1-n1ccnc1S[C@H](C)CCC#N 188259503 GBPKJYHLIIKUNU-CYBMUJFWSA-N 271.389 3.965 30 20 CHED C=CC[C@H](C(=O)NCC1(C(C)C)CC1)c1ccccc1 188496611 DZMIJYVXCGOYCD-INIZCTEOSA-N 271.404 3.899 30 20 CHED C#CCC(C)(C)C(=O)NCCCCCc1ccc(F)cc1 188941217 WLEAJYCYQRRHHQ-UHFFFAOYSA-N 289.394 3.704 30 20 CHED C=CCC1(C(=O)Nc2cc(CN(C)C)ccc2C)CCC1 188945793 DQGOCUZJCIJINF-UHFFFAOYSA-N 286.419 3.742 30 20 CHED N#Cc1cccc(CNC(=O)Nc2ccsc2Cl)c1 189306234 KSUMRBZQHCPDGH-UHFFFAOYSA-N 291.763 3.595 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N 189482759 PMAYGJBIQUPHMR-HZPDHXFCSA-N 292.423 3.851 30 20 CHED CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 189583174 UPZLTEDRVRXZTP-MRXNPFEDSA-N 287.794 3.791 30 20 CHED N#Cc1cccc(C(=O)N2CCC=Cc3ccccc32)c1 190118992 MZOIOVCYLHGGKK-UHFFFAOYSA-N 274.323 3.622 30 20 CHED C=C(C)COc1cc(CNc2nocc2C)ccc1OC 191560570 OJWPWEBFIBXUTG-UHFFFAOYSA-N 288.347 3.559 30 20 CHED C#CCCCC(=O)NCc1ccccc1Oc1ccccc1 192096150 SUJQTKYXQZUQPC-UHFFFAOYSA-N 293.366 3.899 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)c1 195252225 JGKNWYZSLVZXBW-MOPGFXCFSA-N 292.382 3.568 30 20 CHED O=C1/C(=C\c2ccccc2F)CCc2cc(O)ccc21 207933408 LSKQXSUWNSQNNN-LCYFTJDESA-N 268.287 3.744 30 20 CHED CC(C)CN(CCC#N)CCCCc1ccccc1 228444180 VSCSQAPEBYMCLO-UHFFFAOYSA-N 258.409 3.881 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2)c(F)c1 229909990 RCRAJTROYSAJJK-YFHOEESVSA-N 256.276 3.730 30 20 CHED CC(C)(CCC#N)CNc1ccc(C#N)cc1Cl 232522273 CCTPLNKOLUBOEN-UHFFFAOYSA-N 261.756 3.954 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 247706334 ZAFRRPRXRQWHLF-HNAYVOBHSA-N 292.382 3.520 30 20 CHED N/C(=N/C[C@H]1CCC[C@H]1C1CC1)Nc1cc(F)ccc1F 263132729 NGLRMRJGUJNPJE-YPMHNXCESA-N 293.361 3.518 30 20 CHED CCOc1ccc(CNCC(C)(C)CCC#N)cc1 266214470 PGFIJUZGSQPOKF-UHFFFAOYSA-N 260.381 3.505 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 268936844 OETFSWHURXTCOR-LBPRGKRZSA-N 285.309 3.692 30 20 CHED C=CCN(C(=O)Nc1cccc(Br)c1)C1CC1 271328819 FGTKHWPOQPNQAB-UHFFFAOYSA-N 295.180 3.631 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(F)cc1Cl 272420409 NKKNUDWLACEIPL-AWEZNQCLSA-N 282.746 3.537 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(C(F)F)c1 276044692 GQQRCTCBTJAKSW-UHFFFAOYSA-N 254.280 3.664 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](Cc1nc(C)no1)c1ccccc1 277089007 KHYZSCHUPXEJLT-JJRVBVJISA-N 299.418 3.852 30 20 CHED CC(C)(C#N)CC(=O)N1CCCc2cc(Cl)cc(F)c21 278783906 VIBAUCJENBLXEW-UHFFFAOYSA-N 294.757 3.698 30 20 CHED C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 279521559 BFVLKIMZUTYGJU-CQSZACIVSA-N 292.382 3.979 30 20 CHED CC[C@@H](CC#N)NC(=O)c1csc2cc(C)ccc12 280189995 IPQUXQNJCLEERT-NSHDSACASA-N 272.373 3.632 30 20 CHED C=CC[C@H](CC)NCc1ccc2c(c1)COC(C)(C)O2 281216093 KACKYUREGYZICQ-HNNXBMFYSA-N 275.392 3.776 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(O)c1 282246691 JHFLIZMCRJOEDN-ZDUSSCGKSA-N 278.355 3.604 30 20 CHED C=CCCCCCCNC(=O)N[C@H](C)c1cccnc1 286932536 BYFOENVNKRIKPI-CQSZACIVSA-N 275.396 3.578 30 20 CHED C=CC[C@H](CC)NC(=O)N1Cc2cccc(Cl)c2C1 287245901 QIVSHPPJNIXREU-LBPRGKRZSA-N 278.783 3.720 30 20 CHED N#Cc1ncccc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 290624921 LVUBPJDROATBQZ-MAUKXSAKSA-N 293.370 3.533 30 20 CHED C=CCC(C)(C)C(=O)N1Cc2ccccc2OC(C)(C)C1 292538099 VKZVLHZXIKDLSU-UHFFFAOYSA-N 287.403 3.789 30 20 CHED CCn1ccnc1[C@@H](C)Nc1cccc(OCCCC#N)c1 297083117 WWWISGPKVWGHMJ-CQSZACIVSA-N 298.390 3.759 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccsc1C 297781718 QLTOCZGHYXGLDR-UHFFFAOYSA-N 264.394 3.649 30 20 CHED N#Cc1ccc(NCCc2cn3ccccc3n2)cc1Cl 301162507 GPZKLZGVQGXPDB-UHFFFAOYSA-N 296.761 3.514 30 20 CHED CC(C)c1ccc(CCCNc2nccnc2C#N)cc1 301311770 HJFVXVAHRVHYAN-UHFFFAOYSA-N 280.375 3.516 30 20 CHED CC(C)[C@@H]1OCCC[C@H]1CNc1ccc(C#N)cc1F 301599657 UMTVRXBLPSPDEZ-BBRMVZONSA-N 276.355 3.560 30 20 CHED CCOc1ccccc1C/N=C(/N)Nc1ccc(C)c(C)c1 303788995 UYAWRRJPBKWXCP-UHFFFAOYSA-N 297.402 3.629 30 20 CHED C=C(C)CCSc1nnc(NCCCC)s1 309590303 UOLZZJCTUXMZFW-UHFFFAOYSA-N 257.428 3.808 30 20 CHED C=CCC(C)(C)CNCc1cn2cc(Cl)ccc2n1 311882243 NHQDJAGXWJELQY-UHFFFAOYSA-N 277.799 3.680 30 20 CHED CCc1ccc(Nc2nnc(C)c(C)c2C#N)cc1C 312466036 UBZJQSICOCGGKB-UHFFFAOYSA-N 266.348 3.580 30 20 CHED COc1cc(C#N)ccc1OCc1cnc2ccccc2c1 318029064 FAYCZHSCAPWGDJ-UHFFFAOYSA-N 290.322 3.694 30 20 CHED O/C(C/N=C(/O)c1ccsc1)=N/[C@@H]1CC12CCCCC2 329125493 SZVDPGFNSDGONX-GFCCVEGCSA-N 292.404 3.732 30 20 CHED CCCC1(C/N=C(/O)c2cc3nc[nH]c3cc2F)CCC1 329175774 BPDUBLGCNMWRRG-UHFFFAOYSA-N 289.354 3.977 30 20 CHED Cc1ccc2c(c1)[C@@H](N/C(O)=N/[C@@H]1CCC[C@@H]1C#N)CCC2 329365816 GQDMAOJFOFTRAM-OIISXLGYSA-N 297.402 3.568 30 20 CHED Cc1nc(C)c(C(O)=Nc2cnc3c(c2)CCCC3)s1 329463705 QRAUEIGAZYDMFH-UHFFFAOYSA-N 287.388 3.670 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cc(C3CC3)ccn2)CCC1=O 329663555 PDZPAIWRWLNPDL-ZWNOBZJWSA-N 272.348 3.552 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(CC#N)cc2)C1 330469481 BWGJWXPZGXKFKI-SJORKVTESA-N 284.403 3.697 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@](C)(C#N)CC(C)C)c1 330478604 KVMZTPCQYUOFTE-YOEHRIQHSA-N 272.392 3.543 30 20 CHED COc1c(C)ccc(N=C(O)NC2(C)CCCC2)c1C 330580336 KQERNLXPXXGJCD-UHFFFAOYSA-N 276.380 3.780 30 20 CHED CCCC1(CNC(=O)NCC2CCC(C#N)CC2)CCC1 331389584 CUAHQRMOANJKSJ-UHFFFAOYSA-N 291.439 3.586 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C#N)c(F)c2)C1 334156865 ZUQOPLCOWUGCJK-UGSOOPFHSA-N 295.361 3.675 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCOCC2)[C@H]1C 334582006 LTOUGGFBXIUWJM-LSDHHAIUSA-N 284.403 3.510 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@]1(C)CC=CCC1 335136507 ZSMLLGZKAVGONA-RDTXWAMCSA-N 282.387 3.824 30 20 CHED C=C1CCN(C(=O)[C@H](C)Cc2cncc3ccccc23)CC1 335969490 YVPJWBBQFFBAMK-OAHLLOKOSA-N 294.398 3.592 30 20 CHED CC1(C#N)CCC(NC[C@@H]2CSc3ccccc32)CC1 336229193 LVGMVUWKOMHNTJ-TUBUQKNSSA-N 286.444 3.938 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccs1 336455188 LSFHQULVDVMKPV-HUUCEWRRSA-N 296.395 3.660 30 20 CHED CCC(C)(C)[C@H]1CCCN1C(=O)c1cccc(C#N)c1C 337759764 JODYDCZSJWYMGO-MRXNPFEDSA-N 284.403 3.908 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCc2ccc(C)cc21)OCC 339361010 QCYLGIARCPSFGB-KRWDZBQOSA-N 287.403 3.646 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H]2F)c(C(F)(F)F)c1 339589706 JFSBOGYTANJOFD-OLZOCXBDSA-N 286.272 3.557 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(OC)c(OC)c2)n1 340812544 FDRHVQUWSFSGIH-UHFFFAOYSA-N 288.347 3.608 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H](C)C1 340924314 WTFKMXSZWLODAE-OLZOCXBDSA-N 260.356 3.565 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1ccccc1SC 341900189 KBKMGOKJZFIXDJ-JTQLQIEISA-N 267.419 3.655 30 20 CHED N#CC1(CSCc2nc(C3CC3)cs2)CC1 342556092 KJWBSFKHCXEEGN-UHFFFAOYSA-N 250.392 3.557 30 20 CHED CC1(C)C[C@H](Nc2cc(C#N)ccn2)c2ccccc21 342778503 LUFCZJVYMRIGPH-HNNXBMFYSA-N 263.344 3.788 30 20 CHED C=C(C)CCNc1ccc(NC(C)=O)cc1Cl 345416126 TZPJNGYOFYCAPT-UHFFFAOYSA-N 252.745 3.677 30 20 CHED COc1ccc([C@H]2CCCC[C@@H]2NCCCC#N)cc1F 346827339 JCUKXUVCLGJCKH-ZBFHGGJFSA-N 290.382 3.754 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCc2ccccc2C1 351075675 QCJSSZVYROSTMZ-AWEZNQCLSA-N 296.418 3.540 30 20 CHED COc1ccccc1[C@H]1CC[C@H](C)CN1CC1(C#N)CC1 352246182 NGDKTWIQGPFHFQ-GOEBONIOSA-N 284.403 3.772 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1nc2cccnc2s1 352341730 JFHWAWQDTBBKSV-UHFFFAOYSA-N 295.367 3.759 30 20 CHED Cc1cccc(C(=O)N(CCC#N)CCC(C)C)c1C 353886528 JSEOYRFBRSMEHS-UHFFFAOYSA-N 272.392 3.705 30 20 CHED Cc1ncsc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 353929577 DDSKABFRGCHNOG-HZPDHXFCSA-N 297.427 3.723 30 20 CHED CCc1c(NC(=O)[C@](C)(C#N)CC)cnn1C(CC)CC 355115004 VERASYYDTHPQBY-INIZCTEOSA-N 290.411 3.685 30 20 CHED CC[C@H](C)CN(C)C(=O)c1ccc(C(C)(C)C#N)cc1 355987833 NLIBYRIIMSPHHN-ZDUSSCGKSA-N 272.392 3.606 30 20 CHED N#Cc1cccc(C#N)c1NCC(F)(F)c1ccccc1 357607715 FLKRSBNQKQUDCF-UHFFFAOYSA-N 283.281 3.634 30 20 CHED Cc1cc(C)c2cc(CNCCCCC#N)[nH]c2c1 359082379 DWWCRVLPTJLRJA-UHFFFAOYSA-N 255.365 3.568 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CCC[C@H](C)C1 359248307 YSHBDDUSEVJFEV-ZFWWWQNUSA-N 288.439 3.747 30 20 CHED Cc1nc(NCCC[C@H]2CCCCO2)c(Cl)cc1C#N 360047493 MCTQJEPLSYLGSA-CYBMUJFWSA-N 293.798 3.676 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(=Cc2cccc(F)c2)CC1 373372081 ZGJTUEMDFRQQPE-UHFFFAOYSA-N 299.389 3.881 30 20 CHED CC(C)(C#N)CCCN1CCC(Cc2cccnc2)CC1 374471239 LYFNNIDIOILPCL-UHFFFAOYSA-N 285.435 3.666 30 20 CHED C#CCCNc1c(Br)cccc1SCC 390000853 SUACQIXQVSYJEX-UHFFFAOYSA-N 284.222 3.996 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1cc(Cl)cs1 410133055 ZOMXQLYKOVKNGK-LLVKDONJSA-N 271.813 3.805 30 20 CHED CCCCOc1ccc(C(=O)N(C)[C@@H](C#N)CCC)cc1 410826971 JPKPPVLGFWLKCY-OAHLLOKOSA-N 288.391 3.630 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C(C)(C)CC(C)C 411059544 FNSOASOAOXXPJX-UHFFFAOYSA-N 286.375 3.772 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N([C@H](C)CCC#N)C2)cc1 411683790 HPYVTYSPQNJRKT-BFYDXBDKSA-N 256.393 3.865 30 20 CHED CCOC(=O)C(CC)(CC)NCCC1(C#N)CCCCC1 411760103 RJWXSFWBJSLPAQ-UHFFFAOYSA-N 294.439 3.562 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412136410 NRVZIOQYZAUBOT-IHETXDGRSA-N 296.414 3.699 30 20 CHED C=CCC[C@H](C(=O)NC[C@H](C)CCOC)c1ccccc1 412488616 RPBJNIJTPOBKBY-WBVHZDCISA-N 289.419 3.525 30 20 CHED CCN(Cc1occc1C)c1ncc(C#N)cc1Cl 413557722 SCESFUULPXBQRV-UHFFFAOYSA-N 275.739 3.535 30 20 CHED CCO[C@@H]1C[C@@H](NCC(C)(C)CC#N)C12CCCCC2 414175357 ZCJFGSKBFIMFCI-HUUCEWRRSA-N 278.440 3.644 30 20 CHED Cc1c(NC(=O)[C@@H]2CCCC2(C)C)ccc(C#N)c1C#N 421553138 DEKCKGWBKAQXAR-AWEZNQCLSA-N 281.359 3.503 30 20 CHED CCC[C@H](C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425129625 MGHMTNBMBCPQCU-QWHCGFSZSA-N 258.365 3.514 30 20 CHED C[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](CCC#N)c2ccccc2)C1 428962470 AMLDQLOKUATFLF-DJIMGWMZSA-N 299.418 3.861 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)Nc1ccc(C#N)cc1 431714704 ZKWZLSHDQBXSOY-UHFFFAOYSA-N 273.380 3.752 30 20 CHED C=C(C)CCc1noc(-c2ccc(C)c(C)c2O)n1 436690325 TZTXALKXAMGIHI-UHFFFAOYSA-N 258.321 3.568 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCCC(C)(C)C 437935015 QWNFYYNVFSUVNN-ZDUSSCGKSA-N 269.454 3.745 30 20 CHED CCc1c(N[C@H]2CC[C@H](C#N)C2)cnn1C(CC)CC 442865885 VINFYWATESYFRG-STQMWFEESA-N 274.412 3.911 30 20 CHED CCCOc1cc(F)ccc1N[C@@H]1CC[C@H](C#N)C1 442868984 DGNUFZWKHMJSAF-WCQYABFASA-N 262.328 3.719 30 20 CHED CSCC1CCC(N[C@@H]2CCC[C@@H](C#N)C2)CC1 449421346 ILTJEKHPOCINQP-HXSCFSKGSA-N 266.454 3.580 30 20 CHED CN(CCC#N)c1nccc2cc(C(F)(F)F)ccc12 450209632 XGXBPPPNMVRVLI-UHFFFAOYSA-N 279.265 3.603 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cc(C)ccc1F 450425131 MHMAWJRZSZUIGD-ZDUSSCGKSA-N 263.356 3.538 30 20 CHED CC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CCCC1 454345179 IYWXDUSFCAYTGC-GUYCJALGSA-N 299.418 3.887 30 20 CHED C=C(C)CCNC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 455307938 JEYNSDJVMBTVOF-RYUDHWBXSA-N 292.345 3.621 30 20 CHED C=CCCC(=O)Nc1cc(OCC)ccc1Cl 456045993 MEADBUBBJMQYJR-UHFFFAOYSA-N 253.729 3.643 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2=CC[C@H](C)CC2)cc1 456047458 LVJOGLOIOAPMNY-SUMWQHHRSA-N 282.387 3.676 30 20 CHED C=CC(C)(C)CNC(=O)c1c[nH]cc1-c1cccc(OC)c1 456122288 ZORSBHFOKBGKAZ-UHFFFAOYSA-N 298.386 3.632 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2ccccn2)CCCCC1 457453089 JGNCNBFUCXDOID-CQSZACIVSA-N 287.407 3.721 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCC(C)(C)CC#N 459264358 YYZQUWFSFCTTJB-HOCLYGCPSA-N 299.418 3.514 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cccc(C(F)F)c1 459381174 UORBTFPNAUQDRC-UHFFFAOYSA-N 281.306 3.686 30 20 CHED Cc1ccc2c(c1F)N(CCCSCC#N)CCC2 459530241 TYOMPPPPXRBBIA-UHFFFAOYSA-N 278.396 3.534 30 20 CHED CC(C)(CC#N)CNCc1ccc(C(F)(F)F)s1 459732129 OQGIJLLYOTXPDM-UHFFFAOYSA-N 276.327 3.796 30 20 CHED Cc1c(C(=O)N(C)c2ccc(C#N)cc2)oc2ccccc12 461536576 RRYWZZXASBTZJI-UHFFFAOYSA-N 290.322 3.890 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCC#N 462725243 AXARUMUMCBLUDZ-NVXWUHKLSA-N 299.418 3.549 30 20 CHED C=CC[C@H](CC)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 463246463 CVJHTJMUTDONOL-WDSOQIARSA-N 286.463 3.984 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H]1CC1CCCCC1 463573828 KNEBOMCUJFLBGC-KRWDZBQOSA-N 293.451 3.931 30 20 CHED C=C(C)C[C@@H](C)C(=O)N(CC(=O)OC(C)(C)C)[C@@H](C)CC 466429264 WUMFRQMPNIWYBY-KGLIPLIRSA-N 297.439 3.558 30 20 CHED C=CCCN(C)C(=O)NCCCC1CCCCC1 466973479 NGICHDFNVKQPKO-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2ccccc2n1 467850489 KLZMSYZIZIAOSQ-MRXNPFEDSA-N 254.333 3.776 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(CSC)c1 467879444 WRAILDDWVPODAV-MRXNPFEDSA-N 277.433 3.768 30 20 CHED CN(CCSc1ccccc1C#N)c1ccccc1 471251841 SWKLXFDJCSZSFS-UHFFFAOYSA-N 268.385 3.787 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 482736354 OKEYTPMZGWARIM-HUUCEWRRSA-N 287.403 3.902 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(OC)c(C2CC2)c1 488814891 KCILDONWXSOHAZ-OAHLLOKOSA-N 285.387 3.753 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1cccc(OC(C)C)c1 488865399 DZCFFSSEWRIZFR-INIZCTEOSA-N 287.403 3.583 30 20 CHED C#C[C@@H](NCc1ccc(C)cn1)c1ccc(Cl)cc1F 491486400 VUTMYXINDUONQX-MRXNPFEDSA-N 288.753 3.647 30 20 CHED C=CCOc1ccc(CN(C)CC(=C)C)cc1Cl 497260127 IIIVGRFWDLAOSU-UHFFFAOYSA-N 265.784 3.913 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 503554731 UKUSDMBOWSISKJ-CKEIUWERSA-N 276.424 3.585 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](C)CCc1ccccc1 509034673 QRVCVHWEVLJNQT-CQSZACIVSA-N 292.382 3.618 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)CC1 511275139 CSYNRFUSBJNXJY-MGPQQGTHSA-N 264.413 3.503 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(C#N)cc1 512235894 ZGKLSVHQJOPVRW-UKRRQHHQSA-N 285.391 3.896 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H]1Cc1ccccc1 514189434 HUGJWQBNYPRNNK-SUMWQHHRSA-N 293.326 3.510 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)NC[C@@H](C)C#N 517220744 PNHBPSSQPJHKBA-KBPBESRZSA-N 267.417 3.536 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](CC)Cc1ccccc1 517753952 UOGAGHROEWHTEV-HZPDHXFCSA-N 259.393 3.726 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CCC)Cc1ccccc1 524403984 UEIXTISZROEJJO-KRWDZBQOSA-N 286.419 3.781 30 20 CHED C[C@H](N(C)C(=O)C[C@@H](CC#N)c1ccccc1)C(C)(C)C 527243672 JCUNLBXSLVIKKE-GOEBONIOSA-N 286.419 3.967 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1ccc(C)c(C)c1 527310909 OPFHZXFZFPEGML-UHFFFAOYSA-N 286.419 3.777 30 20 CHED CCC(C#N)(CC)c1nc([C@H]2CCC(F)(F)C2)no1 528192059 ZOZUNYCGCRMJTJ-VIFPVBQESA-N 269.295 3.554 30 20 CHED N#CC1(CN2CCC[C@]3(CCc4ccccc4O3)C2)CCC1 528728058 IIEVUXBEHSWUEL-IBGZPJMESA-N 296.414 3.540 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C)CC1(C)C)c1ccccc1 534654714 KXWNHTXDQVVQNA-LSDHHAIUSA-N 271.404 3.993 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 538334537 YEHYZYBBGCWIBR-CHWSQXEVSA-N 295.810 3.968 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1Cl 539783931 XXYXWVITVMTLAW-ABAIWWIYSA-N 288.778 3.616 30 20 CHED C=C(C)COCCN[C@@H](Cc1ccc(F)cc1)C(C)C 540157748 FWYITTKEUJMYBV-KRWDZBQOSA-N 279.399 3.575 30 20 CHED C=CC[C@H](CC)NC(=O)NCC[C@H](OCC)C1CCCC1 541239838 PRIBYONVVGZOGB-HOTGVXAUSA-N 296.455 3.626 30 20 CHED C[C@H](C#N)CNCc1cccc(-c2ccccc2)c1 542696664 XFMHCHNHPPUBPE-CQSZACIVSA-N 250.345 3.603 30 20 CHED N#Cc1cccc(CNC/C=C/c2ccc(F)cc2F)c1 543631463 MTMQYWSHWUJKRU-GORDUTHDSA-N 284.309 3.639 30 20 CHED C=CCN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 547981827 IRPREZMQRKEYIC-UHFFFAOYSA-N 282.387 3.695 30 20 CHED N#Cc1ccnc(NC/C=C\c2ccccc2)c1Cl 553380090 IDNBFHFHVSHGLR-DAXSKMNVSA-N 269.735 3.732 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc3c(c2)CCO3)n1 556365641 ZZTVLUSRONCELQ-UHFFFAOYSA-N 270.332 3.525 30 20 CHED Cc1c(C(=O)N2C[C@@H](C)[C@@H](C)C2)sc2ccc(C#N)cc12 560081732 HJOJZKCQZLBWNU-PHIMTYICSA-N 298.411 3.809 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N(C)c1ccccc1 570010763 GTXKRGBEMAVTNJ-UHFFFAOYSA-N 284.407 3.821 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1ccccc1CC#N 571440907 DGUNRWPIOGRVKS-MRXNPFEDSA-N 292.382 3.960 30 20 CHED CC(C)N(CCC#N)C[C@H](C)c1cc(F)cc(F)c1 572827577 DDGCBVJWQRAXJP-LBPRGKRZSA-N 266.335 3.692 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)NC2(c3cccc(C#N)c3)CC2)C1 572980507 CKNKEZQFCLVQIL-FOLVSLTJSA-N 296.414 3.736 30 20 CHED C[C@@](C#N)(NC(=O)c1cc2ccccc2[nH]1)C1CCCCC1 576252866 OYVGXOBUFSTYQL-SFHVURJKSA-N 295.386 3.760 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cncc2ccccc12 579223661 KAZDYTHAMNZUQW-UHFFFAOYSA-N 254.333 3.776 30 20 CHED C=CCC1(NC(=O)CSC(C)C)CCCCC1 581651079 CTPAZDSIUSFPQO-UHFFFAOYSA-N 255.427 3.523 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC2(CCC2)[C@@H]1C(C)C 582338318 NASMIGVSDGFKSK-INIZCTEOSA-N 297.402 3.909 30 20 CHED Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1F 583722674 IHJSGELDEMQOSH-GOSISDBHSA-N 280.346 3.783 30 20 CHED CN(CCOCCC#N)c1ccc(-c2ccccc2)cc1 584733474 FIWMNVURQIMUAX-UHFFFAOYSA-N 280.371 3.720 30 20 CHED N#CCCCCCC(=O)Nc1nc(-c2ccc[nH]2)cs1 588265203 WTCPTIPUPWPYQN-UHFFFAOYSA-N 288.376 3.551 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H]1c1ccc(F)cc1 588269875 DJNKWXQNZHXQFR-INIZCTEOSA-N 288.366 3.963 30 20 CHED CCCOc1ccccc1NC(=O)CCCCCC#N 588271207 FNZLZZSFGNZMQE-UHFFFAOYSA-N 274.364 3.888 30 20 CHED O=C(/C=C\c1nccn1-c1ccccc1)c1ccccc1F 588579580 TWVLBSVWRUVWEL-KHPPLWFESA-N 292.313 3.908 30 20 CHED CC1(C)Cc2cccc(NC(=O)CCCCCC#N)c2O1 588709598 YGPPKFZZWJZSQA-UHFFFAOYSA-N 286.375 3.813 30 20 CHED Cc1cccc(-c2nnc(SCC3(C#N)CCC3)o2)c1 590708750 KHUNTIIGQAYYMY-UHFFFAOYSA-N 285.372 3.831 30 20 CHED CC(C)(CC(F)(F)F)NCc1ccc(C#N)c(F)c1 591502705 LPVHCRJQVAXTGZ-UHFFFAOYSA-N 274.261 3.518 30 20 CHED CC[C@H](C#N)C(=O)NCC1(c2ccccc2)CCCCC1 593404694 VBSGJXZWJPPGHS-OAHLLOKOSA-N 284.403 3.554 30 20 CHED CC[C@@H](C#N)C(=O)NCC1CCC(c2ccccc2)CC1 593454279 HKKUFPVDFSRJSE-CKDBGZEDSA-N 284.403 3.626 30 20 CHED CC(C)Oc1cccc(CNCCc2ccc(C#N)cc2)c1 594955492 POQMHDWPFGDDPZ-UHFFFAOYSA-N 294.398 3.678 30 20 CHED CO[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C1CCCC1 595093465 BBKJWXNHPCLSJK-RTBURBONSA-N 298.430 3.730 30 20 CHED Cc1ccc(CN(C)c2nc(C#N)c(Cl)s2)s1 596111035 VHYQUGALNITAJD-UHFFFAOYSA-N 283.809 3.675 30 20 CHED Cc1cc2ccccc2nc1N1CCC[C@@H](CC#N)C1 596329441 KZBUYNIZAJKIMB-AWEZNQCLSA-N 265.360 3.673 30 20 CHED COCc1csc(CN(CCC#N)CC(C)(C)C)c1 596994938 FEIRIGGGECXDPK-UHFFFAOYSA-N 280.437 3.656 30 20 CHED N#CC1(CC(=O)N2CC3(CCC3)[C@@H]2C2CC2)CCCCC1 597668195 GWODGODNHMBELI-INIZCTEOSA-N 286.419 3.642 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1nc(C(C)C)c(C)s1 597893205 ASQHNJNIXVWOCP-UHFFFAOYSA-N 289.360 3.600 30 20 CHED N#CCCCC(=O)NCc1ccc(-c2cccs2)cc1 597975734 KIWBYRBJNSLVBM-UHFFFAOYSA-N 284.384 3.725 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N(C2CC2)[C@@H](C)C#N)c1 598135527 XQQIFMNEXQZBBY-LSDHHAIUSA-N 298.430 3.892 30 20 CHED CC(C)CCN(C[C@@H](O)CC(C)(C)C#N)C1CCCC1 598588641 AIPZJPLVLLAXBJ-INIZCTEOSA-N 280.456 3.578 30 20 CHED CCCc1ccc(CNCc2cccc(C#N)c2)s1 598641347 RYLDUUYINYEXKV-UHFFFAOYSA-N 270.401 3.862 30 20 CHED CC[C@@H](C)Cc1noc(CSc2ccc(C#N)cc2)n1 601398532 HFSGOHWHDYCOCK-LLVKDONJSA-N 287.388 3.822 30 20 CHED CC[C@H](C)N(Cc1ccccc1)Cc1cccc(C#N)n1 602430524 AVRWVOCVSWMVBL-HNNXBMFYSA-N 279.387 3.754 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C[C@@H](C)CCC#N 602473368 GJXPAWJFMCPJNP-DOTOQJQBSA-N 258.409 3.879 30 20 CHED Cc1cc(C)c2c(c1)CN(C[C@@H](C)CCC#N)CC2 602624717 QEJSILWLQHEFOI-ZDUSSCGKSA-N 256.393 3.601 30 20 CHED N#Cc1cccc(CNC[C@@H]2CCC[C@@H]2c2ccccc2)n1 602672017 BUCNBXBKQPIIAQ-QFBILLFUSA-N 291.398 3.627 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)c2cccc(C)c2C)CC1 604670178 YNWNDFHFXDOAGC-HNNXBMFYSA-N 286.419 3.972 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H](CC)CC2)cc1 604948755 QZFOSBRBNSSJBU-OAHLLOKOSA-N 287.403 3.904 30 20 CHED CCC1(CC)CN(c2ccc(C#N)nn2)c2ccccc21 611242491 HHNRGAVHZHPABZ-UHFFFAOYSA-N 278.359 3.558 30 20 CHED Cc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)c(Cl)c1C 612233369 QGWGRYRGZVPCPZ-MRXNPFEDSA-N 290.794 3.723 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC[C@@H](c3ccco3)C2)n1 613423848 QJHJDFYDCGEQAU-CQSZACIVSA-N 295.386 3.838 30 20 CHED Cc1cc(C#N)ccc1CN1Cc2ccccc2OC[C@@H]1C 614407273 LKWVYANDJQCTMK-HNNXBMFYSA-N 292.382 3.650 30 20 CHED C[C@@H](N[C@H](C)C1CCSCC1)c1cccc(C#N)c1 614633745 AMMBBXFIVQWECS-CHWSQXEVSA-N 274.433 3.741 30 20 CHED CCC[C@@H](CN1CC[C@@](F)(C#N)C1)c1ccccc1 615652028 VULKYMJXTGHBPM-JKSUJKDBSA-N 260.356 3.508 30 20 CHED CC(C)(C#N)CC[S@@](=O)C1CCC(C)(C)CC1 615779551 VCSTUVHHRCVCJT-QGZVFWFLSA-N 255.427 3.644 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C)nc2C2CC2)C1 617777333 MOYMWJLMWICYAR-CQSZACIVSA-N 284.403 3.696 30 20 CHED CSc1ccncc1NCc1ccc(C#N)c(C)c1 618195233 SYQHWQTXGAJDFM-UHFFFAOYSA-N 269.373 3.596 30 20 CHED COc1ccccc1C(C)(C)CN[C@@H]1CCC[C@@H](C#N)C1 618570461 CTCJLKMLDOUZBD-HUUCEWRRSA-N 286.419 3.645 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1ncc(Cl)s1 618693326 FAXSTDFRMFBEBE-LLVKDONJSA-N 275.764 3.768 30 20 CHED C=CCN(C(=O)[C@H](C)OCCC(C)C)c1ccccc1 620455374 DILDHWGMSYWDLV-HNNXBMFYSA-N 275.392 3.657 30 20 CHED C=CCC1(NC(=O)[C@H](OC)c2ccc(F)cc2)CCCC1 628112441 PDGBSAQWNKUDLE-OAHLLOKOSA-N 291.366 3.518 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cnn(CCCC)c1C 666410740 BUGKKDLYYUGNJJ-UHFFFAOYSA-N 292.427 3.858 30 20 CHED C=CCC[C@H](C(=O)NCc1ccoc1C)c1ccccc1 681660267 WEMOAULJVZEVBX-KRWDZBQOSA-N 283.371 3.954 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 682417481 ZBVLGYBLDITYQM-UHFFFAOYSA-N 287.363 3.991 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2c(C)cccc21 682437716 UDVOFLDLUNIOQM-KRWDZBQOSA-N 257.377 3.877 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N(C)C(C)(C)CC 684901865 GQORBSPEDVCVNW-UHFFFAOYSA-N 274.408 3.915 30 20 CHED C=CC[C@H](CC)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 724044148 XCGCSQDSVYAMIS-ILXRZTDVSA-N 296.455 3.624 30 20 CHED COc1cccc(NN=C/C=C\c2ccccc2)c1 725853059 DLUKTCWEDXQZKO-FUMQGXJOSA-N 252.317 3.806 30 20 CHED C=C(C)CNC(=S)Nc1cccc(OCC(=C)C)c1 727284295 WBLUVBJMDXKCBT-UHFFFAOYSA-N 276.405 3.504 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1ccc2nc(O)[nH]c2c1 728158138 VHBGHNOOEGDWPZ-DAXSKMNVSA-N 296.301 3.612 30 20 CHED CC(C)(C)CCCCNC(=O)/C=C\c1ccccc1C#N 729388859 QZYCHRAQEVXWOS-KHPPLWFESA-N 284.403 3.904 30 20 CHED C/C=C/C=C\C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 731198400 KOHVXYLKLQALFQ-RDDKTXLXSA-N 282.387 3.797 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccc2c(c1)OCCO2 731321537 JNCMQTXPKSNTDM-KXFIGUGUSA-N 298.313 3.801 30 20 CHED C/C(C=NNc1nccnc1Cl)=C/c1ccccc1 733080665 VPKVHBCYWSHQLV-SALNACHASA-N 272.739 3.631 30 20 CHED CO[C@H](C/N=C\c1c(O)ccc2ccccc12)C(F)(F)F 733205348 SKXOCKQWTXCDAK-HFTHVURISA-N 297.276 3.542 30 20 CHED C=CC[C@H](NC(=O)CCc1ccccc1F)c1ccncc1 734234114 HAHANASWFFQLHS-KRWDZBQOSA-N 298.361 3.587 30 20 CHED C#CCOc1ccc(CN[C@H](CC=C)c2ccncc2)cc1 734509684 OUIHXMQVQLANKU-LJQANCHMSA-N 292.382 3.501 30 20 CHED C=CCCCOC(=O)CCOc1ccc(F)c(Cl)c1 735529536 DEYFWVCYOAZVES-UHFFFAOYSA-N 286.730 3.757 30 20 CHED CC1(C)CCC(=NNC(=S)NC2CCCCC2)CC1 735970810 OXDOGABRBFXNCX-UHFFFAOYSA-N 281.469 3.739 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1nccs1 743445117 DZMQQILBXOIMLA-UHFFFAOYSA-N 259.378 3.904 30 20 CHED CCCCCC[C@H](C)NN=C(C)c1cnc(C)nc1C 743450397 KEQDSXLDBYNUSL-LBPRGKRZSA-N 276.428 3.766 30 20 CHED N#C[C@H](C(=O)[C@H]1Cc2ccccc21)c1ccc2ccccc2n1 744015109 GQOIVENSDSHXKG-IRXDYDNUSA-N 298.345 3.751 30 20 CHED C=C(C)CCOC(=O)CSc1ccccc1Cl 744304262 IIIISDHIQMVFKA-UHFFFAOYSA-N 270.781 3.942 30 20 CHED CC#CCOC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 744994381 KNKIGDUDBZXHHR-SJORKVTESA-N 264.324 3.510 30 20 CHED CCc1nc2ccccc2c(C(=O)OCCCCC#N)c1C 747661855 ZXGIKLDKAAETQP-UHFFFAOYSA-N 296.370 3.956 30 20 CHED O=C1/C(=C/c2cccs2)Cc2c(F)ccc(F)c21 749588956 GTQMOQLNQLQFSO-SOFGYWHQSA-N 262.280 3.849 30 20 CHED Cc1cc(F)ccc1/C=C1/COc2ccccc2C1=O 750893344 PGANGPUJFOTDLP-LCYFTJDESA-N 268.287 3.793 30 20 CHED N#C[C@H](OC(=O)c1cc2c(s1)CCCCCC2)C1CC1 751176813 KVVLEUIKVNROII-ZDUSSCGKSA-N 289.400 3.866 30 20 CHED Cc1ccc(C(C)C)cc1OC(=O)c1ccc(C#N)[nH]1 752475234 ZHALUJOQUAGQOQ-UHFFFAOYSA-N 268.316 3.537 30 20 CHED CC#CCOC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 753561737 KTPCXFKSRYBVCI-ZIAGYGMSSA-N 256.345 3.542 30 20 CHED C#CC[C@@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 756995918 BAJXCDREUSDALY-DZJNRPSUSA-N 251.373 3.553 30 20 CHED C#CC[C@H](NC(=O)N1CCCCCCC1)c1ccccc1 757066201 ZDHKSXJPLNGXHK-KRWDZBQOSA-N 284.403 3.727 30 20 CHED Cc1c(NCC(C)(C)C)cccc1C(=O)OCCCC#N 757111436 ZSJTVGVOHWIUOS-UHFFFAOYSA-N 288.391 3.914 30 20 CHED Cc1cccc2ncc(/C=C3/CCCC(C)(C)C3=O)n12 757534631 NVPKGEXYOXNYMA-RAXLEYEMSA-N 268.360 3.805 30 20 CHED C#CC[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 757580130 QZXOKKMFBNPUDE-DKIMLUQUSA-N 281.399 3.694 30 20 CHED C=C[C@H](CC(=O)OCCCCC#N)c1ccccc1 758906532 DKNZFSADIHUPSO-CQSZACIVSA-N 257.333 3.583 30 20 CHED CCCCCCCOC(=O)/C=C/c1cncc(F)c1 759254279 BYKXUHANTMJPRN-BQYQJAHWSA-N 265.328 3.748 30 20 CHED Cc1ccc(NN=C2CCCc3ccc(Cl)cc32)nn1 761258656 KIOALLPVQFGMSH-UHFFFAOYSA-N 286.766 3.591 30 20 CHED CC1(C)CCC(C=NNc2nccnc2Cl)CC1 764692740 QDJFTVQCEVKWDZ-UHFFFAOYSA-N 266.776 3.744 30 20 CHED Oc1ccc(C=NNCc2ccc(Cl)cc2)cc1Cl 764719373 XDWGDQQAXRERLU-UHFFFAOYSA-N 295.169 3.823 30 20 CHED Cc1ccc2c(CC(=O)O[C@H](C#N)C(C)(C)C)coc2c1 765631677 SRUJNRZFNPQPCU-OAHLLOKOSA-N 285.343 3.765 30 20 CHED C[C@H](C=NNc1nccc2sccc12)CCC#N 766012807 YYFLKSLCXDJIEL-JTQLQIEISA-N 258.350 3.634 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccc(Cl)cc1 766425290 YPSIETKLDRCDSX-CYBMUJFWSA-N 252.745 3.697 30 20 CHED C#CCCCN1CCC[C@H]1c1ccccc1Br 766907189 WRUPFCXKLFKBRO-HNNXBMFYSA-N 292.220 3.999 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 767072332 UKICKRLTPMYXQD-NSHDSACASA-N 290.432 3.646 30 20 CHED CC(C)[C@H](C)C(=O)OCc1ccccc1C(C)(C)C#N 768023109 HRRSRIAJDRHWRH-ZDUSSCGKSA-N 273.376 3.823 30 20 CHED C#C[C@H](CC)OC(=O)c1cc(-c2ccccn2)ccc1Cl 768046327 BTCJQFGCXSKWJW-CYBMUJFWSA-N 299.757 3.971 30 20 CHED O=C(CC1=CCCCC1)OCC#Cc1ccc(F)cc1 771354380 DWGNZXMNSDFVBX-UHFFFAOYSA-N 272.319 3.611 30 20 CHED C=C[C@H](C)OC(=O)c1ccccc1NC(=O)OC(C)(C)C 774223412 DLOHBMTZEZLUSC-NSHDSACASA-N 291.347 3.765 30 20 CHED CC(=NOC1CCOCC1)c1ccc(C(F)(F)F)cc1 774429540 CFHUGLAKSYOLBG-UHFFFAOYSA-N 287.281 3.625 30 20 CHED C#C[C@H](C)N(C)Cc1cn(-c2ccccc2)nc1C(C)(C)C 775179866 STTFCSZKGUBJNV-HNNXBMFYSA-N 295.430 3.623 30 20 CHED C#CCOc1ccc([C@H](C)Nc2ccc(OC)cc2)cc1 776783186 ZNBIFNZVKLLSHL-AWEZNQCLSA-N 281.355 3.880 30 20 CHED CC(Cc1ccncc1)=NN[C@@H](Cc1ccccc1)C(C)C 777449160 SXFPWHOGCZDZDF-IBGZPJMESA-N 295.430 3.857 30 20 CHED CC(=NOCCC(F)(F)F)c1cc(C)cc(C)c1 777458638 CSYMUTVXLRCLIB-UHFFFAOYSA-N 259.271 3.996 30 20 CHED Clc1ccnc(NN=C[C@@H]2C[C@@H]2c2ccccc2)c1 777905695 KGEJDWYSECYJSX-GXTWGEPZSA-N 271.751 3.936 30 20 CHED COc1ccc2nc(NN=C3CCCOCC3)c(C)cc2c1 777913799 SLKFSXRZDWHZBF-UHFFFAOYSA-N 299.374 3.520 30 20 CHED CCC(=NNCCOC(C)C)c1ccc(Cl)s1 778551245 JTTCXSAQNRMFAA-UHFFFAOYSA-N 274.817 3.530 30 20 CHED C#CCCCCCC(=O)N(C)c1ccc(C)c(C)c1 779856019 MFBISAUOLAVICY-UHFFFAOYSA-N 257.377 3.850 30 20 CHED CC/C(C)=C(/C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 780024276 QVKQFXHJVNOLSR-PFONDFGASA-N 294.398 3.920 30 20 CHED C=C(C)CNC(=S)Nc1ccc(-c2ccco2)cc1F 782439491 KFLNEUAYKYBMQS-UHFFFAOYSA-N 290.363 3.948 30 20 CHED Cc1cc(C=NNc2ccc(C#N)c(Cl)c2)c(C)[nH]1 783878252 SYARZCIOMBYBPU-UHFFFAOYSA-N 272.739 3.603 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1cnccc1C 783881173 SFEJARWJMHZFJI-UHFFFAOYSA-N 284.750 3.751 30 20 CHED C[C@@H](OC(=O)/C=C\c1cccc(O)c1)c1ccc(C#N)cc1 784062385 QMLMTGRRKJMHQR-PGJNLMOESA-N 293.322 3.581 30 20 CHED CCOc1ccc(N(C)Cc2ccc(CC#N)cc2)cc1 784155088 VFJHVGKENDOHHD-UHFFFAOYSA-N 280.371 3.788 30 20 CHED C=CCCN(C)C(=O)/C=C/c1cc(C)c(C)cc1C 786671587 QOYOYUVBWNURHH-CMDGGOBGSA-N 257.377 3.660 30 20 CHED CC(=NO[C@@H]1CCCCO1)C1CCC(F)(F)CC1 788722653 YFKHLDIIGWECQU-GFCCVEGCSA-N 261.312 3.731 30 20 CHED O=C1/C(=C\c2ccsc2Cl)Cc2cc(O)ccc21 790223386 NAEZJSWHTHRKLV-YHYXMXQVSA-N 276.744 3.930 30 20 CHED CCc1nc(C)c(C/N=C/c2cc(Cl)ccc2O)o1 793670391 WJRVLPLBZCEEAP-FRKPEAEDSA-N 278.739 3.524 30 20 CHED COc1cc2c(cc1OC)C(=NOCc1ccccc1)CC2 794488184 DVPNFSCPTPTUKW-UHFFFAOYSA-N 297.354 3.571 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2ccc(F)cc2C)[C@H]1C 794523531 IQWLIJSAVXIYNZ-NWDGAFQWSA-N 292.354 3.511 30 20 CHED CC(C)OC(=O)CC[C@H](C)/N=C/c1cc(Cl)ccc1O 794833182 LUWJHQLLKJYAAC-DTQASYIRSA-N 297.782 3.585 30 20 CHED CCCON=C(C)c1ccc(Br)cc1F 795246284 MPQHZBFGRYZZSP-UHFFFAOYSA-N 274.133 3.739 30 20 CHED C=CCCC(=O)COC(=O)c1cc(C)c(Cl)cc1C 795926868 IVJLAHDSZJEBCI-UHFFFAOYSA-N 280.751 3.649 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)CC[C@H](C)CC 796641939 NCWXWAVQVKRRLI-GFCCVEGCSA-N 277.339 3.603 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)CC[C@H](C)CC 796786833 OJCQJNHPUNBAJV-GFCCVEGCSA-N 275.348 3.689 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)C2CC=CC2)s1 797573362 RHLJXNVKMLOGQG-LLVKDONJSA-N 274.389 3.583 30 20 CHED C/C(=C\Cl)CSCCOc1ccccc1C#N 797813738 LLMQBYOTWYAMEK-DHZHZOJOSA-N 267.781 3.813 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@@H](c3cccnc3)C2)n1 799866248 ZORVVMKVZFKYCQ-CQSZACIVSA-N 295.390 3.614 30 20 CHED C/C(=C/C(=O)NCc1ccc(C#N)c(Cl)c1)C(C)(C)C 801072078 FPWIQUFLGNJJSO-XFFZJAGNSA-N 290.794 3.820 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@H](CCC)C(C)C 804835024 VUQSGHLTDRHAES-QGZVFWFLSA-N 271.404 3.721 30 20 CHED C#C[C@H](NC(=O)CCc1c[nH]c2c(C)cccc12)C(C)(C)C 807879283 TTZDERYUMGJBCW-INIZCTEOSA-N 296.414 3.573 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1ccc(C)cc1)C2=O 809156657 NBEPVIDJMYDLAE-LCYFTJDESA-N 282.314 3.965 30 20 CHED C(=NNc1nncc2ccccc12)c1ccc2[nH]ccc2c1 811631240 QCULCMHWFMPFKN-UHFFFAOYSA-N 287.326 3.557 30 20 CHED COc1ccc(NN=Cc2ccc3[nH]ccc3c2)cc1 811645238 FDFRNJSZZVWYBE-UHFFFAOYSA-N 265.316 3.623 30 20 CHED CCCC[C@H](C)N(C)C(=O)c1ccc(C)c(C#N)c1 811959410 KBPWJYBVTHWUNK-ZDUSSCGKSA-N 258.365 3.517 30 20 CHED C=CCC[C@H](C(=O)NOC/C=C\Cl)c1ccccc1 812399833 VWTFPOWQUWINKK-JOHMGYAOSA-N 279.767 3.537 30 20 CHED CC(=NNc1ccccc1F)c1ccc(C#N)cc1 812458764 KKJHZQZRGSCAKF-UHFFFAOYSA-N 253.280 3.533 30 20 CHED CCSCCSc1nc(C)c(C#N)cc1Cl 812465040 FAUAVPRSOMHMAU-UHFFFAOYSA-N 272.826 3.760 30 20 CHED CC[C@@H](OC(=O)CCCC#N)c1cc(C)ccc1OC 813082723 XKLZDSRKVOTPFS-CQSZACIVSA-N 275.348 3.692 30 20 CHED Cc1nc(C(C)C)oc1COC(=O)c1ccc(CC#N)cc1 813319776 PCDZEDDEGHIAHW-UHFFFAOYSA-N 298.342 3.530 30 20 CHED FC(F)Oc1ccc(NN=C2CC[C@@H]2C2CC2)cc1 814828395 APKVLUKSTHYDQV-GFCCVEGCSA-N 266.291 3.876 30 20 CHED CCc1cnc(C=NNc2c(F)cccc2Cl)s1 814905113 OOLNJSYZHRKIBX-UHFFFAOYSA-N 283.759 3.944 30 20 CHED CC(C)[C@@H]1CC(=NNc2nccnc2C2CCC2)CS1 814932083 NOQBBIYMTCNTKG-ZDUSSCGKSA-N 290.436 3.674 30 20 CHED CCOc1ccc(NN=C2CCCC23CCOCC3)cc1 814983935 IOLGSBUDUKEKCT-UHFFFAOYSA-N 288.391 3.834 30 20 CHED CCNc1ccc(C#N)cc1NCC[C@@H]1CC1(Cl)Cl 819072403 LDXMRRFQURQOKG-LLVKDONJSA-N 298.217 3.986 30 20 CHED Clc1cc(NN=C2CCSCC2)cc(Cl)n1 819833242 YWLNYDRMXYEUEY-UHFFFAOYSA-N 276.192 3.683 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H]1CCCc2cccnc21 821006761 YQICWHKQAZNFDS-CQSZACIVSA-N 273.376 3.647 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N1CCc2c(C#N)cccc21 823096666 KZINJGFNCWRRLA-CQSZACIVSA-N 290.366 3.560 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)[C@H]1CCCC[C@H]1C 823830840 GHVPILHASYNCMR-VKJFTORMSA-N 286.419 3.893 30 20 CHED C=CCCCC[C@H](C)NCCc1cnc(C)s1 824027164 GPTOFXCQUIUEBL-LBPRGKRZSA-N 252.427 3.719 30 20 CHED CCC(F)(F)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 826915550 OLMJCFJAHIISAM-ZDUSSCGKSA-N 294.345 3.710 30 20 CHED C=CCN(CCc1ccco1)Cc1csc(Cl)n1 828746157 ZJUQWUPCEDMEDL-UHFFFAOYSA-N 282.796 3.620 30 20 CHED C[C@]1(C(=O)OCc2cccc(C#N)c2)CCc2ccccc21 830265329 VDSGEDKJJANRRI-IBGZPJMESA-N 291.350 3.506 30 20 CHED C#CCCCCCC(=O)Oc1cc(Cl)ccc1C(=O)O 833361604 CUGOTRPJYJYECM-UHFFFAOYSA-N 294.734 3.527 30 20 CHED FC(F)(F)c1ccnc(NN=CC2CCCC2)c1 834984213 SGWFGJIQWHXOBT-UHFFFAOYSA-N 257.259 3.688 30 20 CHED C#C[C@H](C)OC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 835178032 JWKQXUXBJORGAX-UWVGGRQHSA-N 270.250 3.531 30 20 CHED C#CCCCCCCOC(=O)c1cc2ccccc2nc1O 835710517 IRYZWOPZDVBIRV-UHFFFAOYSA-N 297.354 3.681 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)C#CC(C)(C)C 837395932 OHLNBHNHKHBIMB-OAHLLOKOSA-N 271.404 3.863 30 20 CHED N#C[C@@]1(C(=O)OCc2ccc3c(c2)CCC3)CC12CCCC2 837903252 PDLYAXJWZLCJBD-LJQANCHMSA-N 295.382 3.693 30 20 CHED CC[C@H](CC(C)C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839060210 YJKFPINCVNTCHM-BFHYXJOUSA-N 251.370 3.684 30 20 CHED C=COc1ccc(NC(=O)N2CCC(C=C)CC2)cc1 839151603 ZJGWUZLKADSORE-UHFFFAOYSA-N 272.348 3.639 30 20 CHED CCN(CC)c1ccc(CNCC(C)(C)CC#N)cc1F 839163859 TXVHKXHGTYNWIX-UHFFFAOYSA-N 291.414 3.701 30 20 CHED CC[C@@H]1CC[C@@H](C(=O)Nc2cc3ccccc3cc2C#N)O1 839435408 MJMVJNXSQNLQGP-WBVHZDCISA-N 294.354 3.608 30 20 CHED Cc1cccc(C)c1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839451617 ZFESVQKPEVRIHN-ZIAGYGMSSA-N 257.333 3.543 30 20 CHED CC(CCCCC#N)=NNc1ccc(Cl)c(C(=O)O)c1 841603249 NFKFUCAARBASEN-UHFFFAOYSA-N 293.754 3.910 30 20 CHED C[C@H](NN=C1CCC(F)(F)CC1)c1ccccc1 842525331 QAFOWSNPAFIBBY-NSHDSACASA-N 252.308 3.903 30 20 CHED C=C[C@H](C)ON=C(CC)c1ccc(Cl)c(N)c1 844620786 POMOBYJTTXIMHC-VIFPVBQESA-N 252.745 3.627 30 20 CHED CC(C)(C)C/N=C(/Nc1ccccc1)N1CCCCC1 849058148 PVUFUVGEGALMBT-UHFFFAOYSA-N 273.424 3.987 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCCOc1ccccc1 851212497 KQHKWUUAXGMHAR-CQSZACIVSA-N 289.375 3.717 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(C)s1 853002789 WBJREIPYXIFBNI-AATRIKPKSA-N 260.362 3.559 30 20 CHED C[C@@H]1CCCCN1N=Cc1cccn1Cc1cccs1 853381073 ZPVKKZXZQCPPAK-CQSZACIVSA-N 287.432 3.806 30 20 CHED CCCC[C@](C)(F)C(=O)NCc1ccc(C#N)c(Cl)c1 854371849 MTKIAQAASIKYLL-HNNXBMFYSA-N 296.773 3.746 30 20 CHED Cc1cc(F)c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(F)c1 857627930 WWRZFHNMHOBSSD-MNOVXSKESA-N 279.286 3.512 30 20 CHED CCOc1ccc(/C=N/[C@H](C)c2cnc(C)s2)c(O)c1 864347090 KCIDBUADEQYNMY-LYQMGENXSA-N 290.388 3.736 30 20 CHED O=C(/C=C/c1ccc2nccnc2c1)C1CCCCC1 871657268 UJMNEWIYYORAAX-VQHVLOKHSA-N 266.344 3.792 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 878626174 OEWCJUOBZGRDTL-WBVHZDCISA-N 287.403 3.625 30 20 CHED C=C1CCC(c2nc(-c3cccc(C)n3)no2)CC1 896043036 HYKXQYHPJXWURX-UHFFFAOYSA-N 255.321 3.654 30 20 CHED C=C1CC(c2noc([C@@H](C)c3cccc([N+](=O)[O-])c3)n2)C1 896877841 QMZYZPMSFAORGK-JTQLQIEISA-N 285.303 3.563 30 20 CHED N#CC1(CCCC[S@@](=O)Cc2cccc(F)c2)CCC1 899381030 LMXXSAMJBODPFM-HXUWFJFHSA-N 293.407 3.939 30 20 CHED CCn1cc(/C=C2/CCc3c(F)cccc3C2=O)c(C)n1 899389537 MYKFEUREPAQKCP-XFXZXTDPSA-N 284.334 3.563 30 20 CHED C[C@@H](N)c1ccc(OCCCCC2(C#N)CCC2)cc1 899586601 FZPAWKMEQDUWOR-CQSZACIVSA-N 272.392 3.949 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(C(=O)O)cc1F 901754784 DAEAGTBYROGYQQ-LBPRGKRZSA-N 279.355 3.748 30 20 CHED CC(=O)c1ccc(OCC2(CC#N)CC2)cc1Cl 902682676 PBQNSQYWONHVDD-UHFFFAOYSA-N 263.724 3.615 30 20 CHED CC[C@H](NC[C@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 903009063 XOEWCRUNZIOCAS-WMZOPIPTSA-N 298.430 3.948 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 904069899 QDLBBOIQEXUEKT-ZIAGYGMSSA-N 299.330 3.758 30 20 CHED Cn1ncc2ncc(-c3ccc(C4(C#N)CCC4)s3)cc21 904871792 AUHURBXBUKJUNU-UHFFFAOYSA-N 294.383 3.642 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(F)cc3ccoc23)C1 905929432 PGNRAZJTYBRSNN-ZWNOBZJWSA-N 287.290 3.811 30 20 CHED N#Cc1cc(Cl)cc(-c2cncc([C@H]3CCCN3)c2)c1 906185041 KZOQZGPEEWTMFI-MRXNPFEDSA-N 283.762 3.698 30 20 CHED C(/C=C/c1ccccc1)=NNc1nncc2ccccc12 915909334 FTWVBSVDDWSEOS-ODGAGTQYSA-N 274.327 3.741 30 20 CHED CC(=NNc1nncc2ccccc12)c1ccc(C)cc1 915909496 LCPUDMIEJHREEK-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CC(=NNC(=S)Nc1ccccc1)C1CCCCC1 915923478 FGCVASAYTNWHLV-UHFFFAOYSA-N 275.421 3.929 30 20 CHED C/C(C=NNc1ccc(Cl)nn1)=C/c1ccccc1 916288373 YEOQUMXJWQMTGS-XEAYUMASSA-N 272.739 3.631 30 20 CHED Cc1nc(SCC2(C#N)CCCC2)sc1C 917102893 HFRPTYQDXMAKJW-UHFFFAOYSA-N 252.408 3.936 30 20 CHED CCCCCCCCCN(C)C(=O)C[C@@H]1CCCO1 918397600 HJPHSCTZKKTHBE-HNNXBMFYSA-N 269.429 3.765 30 20 CHED C=CCCOC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 919668003 VVTFTFXZIYRWNW-UHFFFAOYSA-N 284.311 3.882 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(-c3ccccc3F)o2)cn1 920834032 UDXADJONMOWRDV-VURMDHGXSA-N 296.301 3.715 30 20 CHED Oc1cccc(C=Nc2cccc(Cl)c2F)c1O 920943831 AUBAVEYKDXMVAB-UHFFFAOYSA-N 265.671 3.641 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)Cc2c(F)cccc21 921263476 DZJHDGJCBNBIHP-FLIBITNWSA-N 283.258 3.556 30 20 CHED C=CCC(C)(C)c1noc([C@]2(c3ccccc3)CCCO2)n1 924080495 WTBRVRMRKMVJCY-GOSISDBHSA-N 298.386 3.977 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC1(c2ccc(F)cc2)CC1 924697587 QZVXAUHBJVBSES-ZDUSSCGKSA-N 274.383 3.775 30 20 CHED Cc1c(N[C@H](C)CC(C)(C)C#N)cnn1-c1ccccc1 926109191 JHKWIKDMSFEXDN-CYBMUJFWSA-N 282.391 3.921 30 20 CHED CC(C)CN(Cc1ccccn1)Cc1ccc(C#N)cc1F 932443448 KLYUUMLYGXUFIU-UHFFFAOYSA-N 297.377 3.751 30 20 CHED C#CCOc1cccc(NC(=O)[C@H](C)c2cccc(C)c2)c1 1116114047 CCXWQGNNBHTZFL-OAHLLOKOSA-N 293.366 3.749 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccnc(Cl)c1 1116530120 GCEBACDOWCUZBF-SNAWJCMRSA-N 289.766 3.652 30 20 CHED FC(F)(F)c1cccc(NN=Cc2cccn2C2CC2)n1 1117831488 OXAMHWOQYGSSFO-UHFFFAOYSA-N 294.280 3.683 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccsc1Cl 1126698088 NDUJDLKNDWWLMX-UHFFFAOYSA-N 276.748 3.834 30 20 CHED N#Cc1ccc(F)cc1CSc1ccc2[nH]ncc2c1 1166345392 IIQVQOLNYREQLX-UHFFFAOYSA-N 283.331 3.866 30 20 CHED Cc1cc(=NCC[C@@H]2C[C@H](C)CC(C)(C)C2)c(C#N)c[nH]1 1186316396 SWMFZJLAMOIEOF-DZGCQCFKSA-N 285.435 3.948 30 20 CHED CO[C@H](Cc1ccccc1)CN(CCC#N)CCC(C)C 1191368009 VWKBTHWBACQKGK-GOSISDBHSA-N 288.435 3.506 30 20 CHED CC[C@H]1CCC[C@H](Nc2cc(C#N)ccc2OC)C1 1205346756 FZRKBDVJHYTYLC-JSGCOSHPSA-N 258.365 3.948 30 20 CHED C[C@H]1C[C@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)CO1 1205493090 QLKFXOFVMDNDLN-BBRMVZONSA-N 294.354 3.940 30 20 CHED COc1cc(CN(C)Cc2ccc(C)c(C)c2)ccc1C#N 1238416271 KSLQQVWJQJLBFB-UHFFFAOYSA-N 294.398 3.816 30 20 CHED C=C(C)CCc1noc(-c2ccc(-n3cccn3)c(F)c2)n1 1257419440 QNSDLPMFDKUOFZ-UHFFFAOYSA-N 298.321 3.570 30 20 CHED CC[C@H](NCCCCC1(C#N)CCC1)C1CCOCC1 1262239703 HMCZSFWDAFJFFY-INIZCTEOSA-N 278.440 3.645 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)C(C#N)(CC)CC)n1 1288113578 WQJUVSOPRQPUIX-LBPRGKRZSA-N 289.379 3.527 30 20 CHED Cc1nc(C#N)cc(Nc2ccc(OC3CCCC3)cc2)n1 1306926478 RBSSSYCMQMBTJK-UHFFFAOYSA-N 294.358 3.722 30 20 CHED CCCCCCCCC(=O)NCCC1CCOCC1 1318603212 FGEXAXHEDRACLN-UHFFFAOYSA-N 269.429 3.670 30 20 CHED CC1(NCc2cccc(OCc3ccccc3C#N)c2)CC1 1318683373 SNPGUEDGNXMJLI-UHFFFAOYSA-N 292.382 3.779 30 20 CHED C=CCCC(=O)COC(=O)c1c(CC)oc2ccccc12 1319564200 BJMVSAFXYKTWTI-UHFFFAOYSA-N 286.327 3.687 30 20 CHED CC(C)(C)ON=CC(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1 1320326055 WSBGYKOXPPGUFE-AWEZNQCLSA-N 292.379 3.874 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CNCc1cccc(OCC#N)c1 1321387408 SGTZFARNNYEGBW-MAUKXSAKSA-N 284.403 3.671 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NCc2cccc(OCC#N)c2)C1 1324975423 ITNYDZQFNZVDEN-IAGOWNOFSA-N 286.419 3.893 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Cn2cccc2)cc1 1325138568 BTEUDEAKOAZJOG-QGZVFWFLSA-N 282.387 3.621 30 20 CHED Cc1c(C#N)cccc1C(=O)Oc1ccc2cccnc2c1 1325216254 HYFAQVRXGRZIGU-UHFFFAOYSA-N 288.306 3.634 30 20 CHED C/C(=C/C(=O)O[C@@H](C#N)C1CCCCC1)c1ccco1 1327128937 UOEZSGPYGGEEEH-WQTVUKCASA-N 273.332 3.699 30 20 CHED CC[C@H](CON=Cc1ccc(C(=O)OC)cc1)CC(F)F 1327676020 XLWQBOVISCACKT-NSHDSACASA-N 299.317 3.505 30 20 CHED CC(C)C(C)(C)c1nnc(-c2cccc(C#N)c2)o1 1327866246 SFXSIXCJTRSUCH-UHFFFAOYSA-N 255.321 3.542 30 20 CHED CCCCCCCCc1nnc([C@@H]2CCO[C@H]2C)o1 1329484700 XSGNKYYOYAAMHO-QWHCGFSZSA-N 266.385 3.865 30 20 CHED Cc1cocc1C(=O)N(c1ccccc1C#N)C1CCC1 1332588416 KVWDIRNIGJDSDC-UHFFFAOYSA-N 280.327 3.659 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)c2ccccc21 1336215115 BEQVJVYBGIJUDP-RHSMWYFYSA-N 297.398 3.704 30 20 CHED C=C(C)CCC(=O)N(CC(F)(F)F)c1nc(C)cs1 1338236813 AGVLXLAYIYMUSI-UHFFFAOYSA-N 292.326 3.703 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc2sccc2c1 1338328935 NZVYPSJWXGEBDH-ZDUSSCGKSA-N 272.373 3.666 30 20 CHED C=C[C@@H](Cc1nnc(CC2CC2)o1)c1ccccc1 1341612440 UHAAIXIYCFCVRW-ZDUSSCGKSA-N 254.333 3.534 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(C)(C)C)nn2)[C@@H](C)C1 1342193825 BBAFUPKLGQVKDP-RYUDHWBXSA-N 274.412 3.998 30 20 CHED Cc1ccc2occ(CC(=O)O[C@@H]3CC[C@H](C#N)C3)c2c1 1342719270 UCCNDXJCJAHXOV-GXTWGEPZSA-N 283.327 3.519 30 20 CHED C=CC[C@@H](NC1CCC2(CCCC2)CC1)C(=O)OCC 1343553759 YNRSLEQHLFFZIV-OAHLLOKOSA-N 279.424 3.587 30 20 CHED Cc1c(C#N)cccc1C(=O)OC[C@@]1(C)CC1(Cl)Cl 1348045921 JFTHCCRJAAQWJW-CYBMUJFWSA-N 298.169 3.607 30 20 CHED N#Cc1ccccc1NC(=O)Cc1cccc(C2CC2)c1 1349134605 PUWULFNJPOESSY-UHFFFAOYSA-N 276.339 3.617 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C)cc(C)n1 1350083441 GYVHTYQEPWMDCR-CQSZACIVSA-N 273.380 3.661 30 20 CHED C=CCC[C@@H]1CCCN1c1nnc(C2CC2)n1CC1CC1 1350518410 NKWDINSHSDKFCC-OAHLLOKOSA-N 286.423 3.501 30 20 CHED Cc1c(NC(=O)c2ccc(F)c(C#N)c2)ccc(F)c1F 1460854453 ZJNQKUPJVTXRLT-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 1464239317 KVYDWZHZOUWYEZ-CYBMUJFWSA-N 278.440 3.847 30 20 CHED CCCC[C@H](CCC)NC(=O)c1cc(C#N)ccc1C 1524754143 UEEYYLYMLCGOFW-HNNXBMFYSA-N 272.392 3.955 30 20 CHED Cc1c(F)cccc1C(=O)OCc1cc(C#N)ccc1F 1532199633 QTQLWDQHJACFAU-UHFFFAOYSA-N 287.265 3.502 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)c1 1534138634 SIPMWFVAODXZSA-MRXNPFEDSA-N 296.757 3.629 30 20 CHED Cc1cc(N(C)C2CCCCCCC2)ncc1C#N 1559093722 MWEYBGPBWQMTTI-UHFFFAOYSA-N 257.381 3.811 30 20 CHED CCC(CC)CN(CC)c1ncc(C#N)cc1Cl 1559147867 MIFGVPMLLRKCKV-UHFFFAOYSA-N 265.788 3.869 30 20 CHED CC(C)(C)CCNN=C1CCC[C@@H](CCCC(=O)O)C1 1589776716 CQUUGFJIDOZZKL-ZDUSSCGKSA-N 282.428 3.813 30 20 CHED CCCCCCCN1C[C@@H](C(=O)O)[C@@H](c2ccccc2)C1 1605267700 UKIIGDVIJWOGGK-IAGOWNOFSA-N 289.419 3.757 30 20 CHED CCCC1(CNC(=O)c2cc(F)c(C#N)c(F)c2)CCC1 1622878985 NGKNUMKWYFHACT-UHFFFAOYSA-N 292.329 3.537 30 20 CHED N#Cc1cc(Cl)c(C(=O)Nc2ccccn2)c(Cl)c1 1624882923 RKARVZLYFJPVOV-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1nc(N[C@@H]2C[C@@H]2Cc2ccccc2)sc1Cl 1639493671 VPLOOFHNNDVRIO-WDEREUQCSA-N 289.791 3.711 30 20 CHED CO[C@@H]1CCC[C@H](Sc2cccc(F)c2C#N)C1 1641163000 PKMLNYPTDWDSHX-MNOVXSKESA-N 265.353 3.747 30 20 CHED CC[C@@H](Cc1ccccc1)Nc1cc(C)c(C#N)cn1 1650721765 YGSXPBVQYSJMFP-INIZCTEOSA-N 265.360 3.695 30 20 CHED Cc1cccc(N(C)CCc2ccc(C#N)cc2)c1 1657181774 PNVGVONDRARMSM-UHFFFAOYSA-N 250.345 3.546 30 20 CHED CC(C)c1ccccc1CN1CCC[C@](C)(C#N)C1 1657895545 MATXTFSIMUHIOH-QGZVFWFLSA-N 256.393 3.936 30 20 CHED N#Cc1c(F)cccc1CN[C@H]1C[C@H](c2cccc(F)c2)C1 1657917955 LXEPQDNLEYSBBQ-KOMQPUFPSA-N 298.336 3.872 30 20 CHED CC[C@H]1CN(C[C@H](C)CCC#N)CCN1Cc1ccccc1 1658775147 XTYDKLNYHKCBLW-MJGOQNOKSA-N 299.462 3.523 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1NCc1ccc(C#N)c(C)c1 1662022745 VGDXXRQTNYMMJE-SJORKVTESA-N 286.419 3.550 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 1678225604 RGIZXAHJMDFZQZ-IAQYHMDHSA-N 289.354 3.788 30 20 CHED CCCC[C@H](CC)CC(CC)=NN[C@@H](CC)C(=O)O 1776067423 ADIVOAXEDFCYFU-JSGCOSHPSA-N 270.417 3.812 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCCC(C)(C)C)C1 1776156493 NIJWMLIDXHLGLC-INIZCTEOSA-N 267.413 3.556 30 20 CHED C[C@H]1C/C(=C\c2cncc(C(=O)O)c2)C(=O)c2sccc21 1776589491 GHXHUBHWJDRLFZ-WUFUFFIZSA-N 299.351 3.615 30 20 CHED CCCCCCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)O 1776785869 FYOMDXMAPGOAPC-UHFFFAOYSA-N 294.351 3.984 30 20 CHED COc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1C(=O)O 1777359887 CRYFQYWJFIKBGQ-XFXZXTDPSA-N 288.343 3.556 30 20 CHED O=C1/C(=C\c2ccc(Cl)s2)Oc2cc(O)ccc21 14180204 ZNMWEZGZORJRSD-IZZDOVSWSA-N 278.716 3.723 30 20 CHED CCCOc1ccccc1OCc1ccc(C#N)cc1 19804999 QXKGHQAJTZKOJE-UHFFFAOYSA-N 267.328 3.926 30 20 CHED C#CCOc1ccccc1CNc1cc(Cl)ccc1C#N 36954184 NGCUDRYZMDZMNH-UHFFFAOYSA-N 296.757 3.836 30 20 CHED N#Cc1ccc(CNc2cc(Cl)ccc2[N+](=O)[O-])cc1 36970539 SKVXWYQDTGKVHB-UHFFFAOYSA-N 287.706 3.732 30 20 CHED Cc1cccc(OCCN[C@H](C)c2cccc(C#N)c2)c1 42895673 ZZZPNAIAWDWJDX-OAHLLOKOSA-N 280.371 3.596 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(C#N)c1 43329331 QXDTYOIRGVNSIH-LBPRGKRZSA-N 297.333 3.922 30 20 CHED N#CC1(C(=O)Nc2cccc(Cl)c2)CCCCC1 44385107 UIRQZJHJKVOXNQ-UHFFFAOYSA-N 262.740 3.753 30 20 CHED CN(Cc1ccsc1)c1ccc(Cl)cc1C#N 52859594 SUIBNVGLOGDTNM-UHFFFAOYSA-N 262.765 3.910 30 20 CHED CCOc1cc(C)ccc1NC(=O)Nc1cccc(C#N)c1 55329427 PJVLUXZIBZDDIN-UHFFFAOYSA-N 295.342 3.909 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(-c2ccsc2)nc1C 66645867 PCWNMMIZSHKEKM-ZDUSSCGKSA-N 299.399 3.541 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)NC2(C#N)CCCCC2)C1(C)C 73171426 KAOKIBJWKAEEDB-KGLIPLIRSA-N 274.408 3.567 30 20 CHED C=CCn1c(SCC(F)(F)F)nnc1-c1ccccc1 74238224 PREOJRZBAJLTNI-UHFFFAOYSA-N 299.321 3.786 30 20 CHED C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccccc1 75458130 CFGXAQSQVOXEDC-CYBMUJFWSA-N 296.395 3.528 30 20 CHED N#CC1(C(=O)Nc2cc(F)ccc2Cl)CCCC1 76179479 RODMVHGCRJVMKX-UHFFFAOYSA-N 266.703 3.502 30 20 CHED C=CCN(C(=O)C1CC=CC1)c1nc2c(s1)CCCC2 77733734 DDNJBPMEDVNRAC-UHFFFAOYSA-N 288.416 3.507 30 20 CHED CCN(Cc1ccc(Cl)s1)C[C@H](C#N)CCC#N 78773300 YKEWXJDJABNJBT-NSHDSACASA-N 281.812 3.667 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1(C)CCCC1 79840442 JLQZVLXZJUBKNF-UHFFFAOYSA-N 275.367 3.921 30 20 CHED COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2)ccc1O 88305085 GJLWKGHQKOLWMH-DUXPYHPUSA-N 290.265 3.575 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 91919323 MBTLAGZTATYUIK-LSDHHAIUSA-N 272.392 3.599 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)F 92831087 BCNYHZZATXQQCL-SNVBAGLBSA-N 280.368 3.625 30 20 CHED CC(C)CCC[C@H](C)NCc1cc(C#N)cs1 93492026 NKEUYPFMYUCGHJ-LBPRGKRZSA-N 250.411 3.924 30 20 CHED CSc1ccc(NCc2cc(C#N)cs2)cc1 93684954 WQIFAFXPRVEGFN-UHFFFAOYSA-N 260.387 3.954 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2ccccc2OC)c1 96401287 GNXWDCYUIVJPQR-NTMALXAHSA-N 298.338 3.609 30 20 CHED C=CCCC(=O)Nc1sc2c(c1C#N)CCCCC2 102216249 UEDYJFZTBHQZPW-UHFFFAOYSA-N 274.389 3.793 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(SCCOC)cc1 103405317 LPJPDFNOBSMMPD-CYBMUJFWSA-N 293.432 3.569 30 20 CHED C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)cc1 111410813 XXJIWNSRPJPOKS-FZKQIMNGSA-N 262.356 3.581 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2cccc(F)c2F)cn1 112570156 ZQUDRUJUGXJDTK-VOTSOKGWSA-N 276.286 3.638 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 112775569 HXLMOCQQSGWKOO-ZIAGYGMSSA-N 298.292 3.579 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@H](C)c1cccc(C)c1 120988316 SKNFHTFSWUGRQO-HNNXBMFYSA-N 274.408 3.706 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](C)c1cc2ccccc2o1 122208670 JOGVDOYEGYSYQM-UKRRQHHQSA-N 273.376 3.753 30 20 CHED C#CCCCCNC(=O)c1ccc(CCC(F)(F)F)cc1 122746649 RVHNZVCIAQDZMH-UHFFFAOYSA-N 297.320 3.715 30 20 CHED C[C@@H](c1cccc(Br)c1)N1CCC(C#N)CC1 125000491 GSFSBCLNQQHIJQ-NSHDSACASA-N 293.208 3.746 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F 128541736 RMVZFZWZNPGJKF-ZJUUUORDSA-N 286.297 3.640 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccccc1Cl 128596329 FNWNCIOWPAPYJX-GHMZBOCLSA-N 266.772 3.617 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C=C(C)C)cc1 131484690 OBKIVNYRTITKSF-XJKSGUPXSA-N 298.386 3.814 30 20 CHED C=C(Cl)CNCc1ccc(Br)cc1Cl 131671095 ODNQLDXMKFWHCI-UHFFFAOYSA-N 295.007 3.945 30 20 CHED C=C(Br)CN[C@@H](C)c1nc2ccccc2s1 133325782 HJWWTKWPNBHHFO-VIFPVBQESA-N 297.221 3.856 30 20 CHED CSC[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 133448653 ACLXNFPRKDDLFM-QMMMGPOBSA-N 274.311 3.740 30 20 CHED C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(C(C)(C)C#N)cc1 135424413 DANVCKYUKOSYFV-STQMWFEESA-N 285.391 3.892 30 20 CHED CCCC[C@H](CC)CNC(=O)c1c(F)cc(C#N)cc1F 151716808 VLJJAGJDCPWWQP-NSHDSACASA-N 294.345 3.783 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)Cc2ccccc2C)CC1 153006745 OUVWSXNDQPFEPC-KRWDZBQOSA-N 286.463 3.556 30 20 CHED N#CCC[C@H](C#N)COc1ccc(Oc2ccccn2)cc1 153754063 ISXSOGDTYPVPSA-CQSZACIVSA-N 293.326 3.696 30 20 CHED Cc1cc(Oc2ccc(C#N)cn2)ccc1Br 155747737 WBDQQCDTLJFONL-UHFFFAOYSA-N 289.132 3.817 30 20 CHED C#CCCCCNC(=O)C1(c2cccs2)CCCCC1 156045757 PVXXSZHSWGNDCE-UHFFFAOYSA-N 289.444 3.870 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1N(C)C1CCCC1 157601507 LPXGADFGCPIQFR-UHFFFAOYSA-N 287.407 3.715 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CCO1 157863329 WPNOWPGRYLMBJZ-SKDRFNHKSA-N 284.281 3.556 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@H]2c2c(F)cccc2F)n1 161469515 HCLBOKFVOZVOEH-BXUZGUMPSA-N 285.297 3.508 30 20 CHED Cc1ccc(C#N)c(NC[C@H]2CCCO[C@@H]2C(C)(C)C)n1 161503758 RQRIDRFXVJJIRA-CABCVRRESA-N 287.407 3.515 30 20 CHED CC[C@H](C)[C@@H](C(=O)Nc1ccc(C#N)cn1)c1ccccc1 161671815 XHYDFSIIROYYHL-SUMWQHHRSA-N 293.370 3.722 30 20 CHED C=CCN(C)C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 161719942 HMVOWCPBMWNBJZ-HOTGVXAUSA-N 281.440 3.787 30 20 CHED CCCN(Cc1ccc(C#N)cc1Cl)CC1CC1 162880313 NDBWEYPJFXAZMU-UHFFFAOYSA-N 262.784 3.834 30 20 CHED C=CCCC(=O)N(C)[C@H](C)c1ccccc1Br 171430130 ROJROVPIIJFLSX-LLVKDONJSA-N 296.208 3.935 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c(C)c1 172034186 GSYPGIPVLZULQZ-INIZCTEOSA-N 298.773 3.952 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2ccc3c(c2)CCO3)cc1 172192476 UCGKKTMBFXDLBR-CYBMUJFWSA-N 294.354 3.524 30 20 CHED CCCCN(CCCC(C)(C)C#N)CC(F)(F)F 174837416 OOFZRLKDNZYQSK-UHFFFAOYSA-N 264.335 3.981 30 20 CHED Cc1cccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)c1 175319918 GQEZBSCFNFKKOA-AATRIKPKSA-N 274.266 3.875 30 20 CHED C=CCCCC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 175425808 LVMNDXJTRGBHHW-FUHWJXTLSA-N 287.403 3.627 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H](C)c2ncc(C)s2)c1 175894924 UPZNDCYLGTWSKH-LKBVRNOZSA-N 290.388 3.736 30 20 CHED C#CCCCNC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 176372371 PFKZTGNIAGVPHT-OAHLLOKOSA-N 290.382 3.626 30 20 CHED CC(C)C[C@@H](C)CC(=O)N[C@H](C#N)C1CCCCC1 176623219 ZISVVHWUMCZNCW-UKRRQHHQSA-N 264.413 3.647 30 20 CHED N#Cc1ccc(CNCCc2ccccc2Cl)s1 176958210 BXFIDLQQUSDRPB-UHFFFAOYSA-N 276.792 3.605 30 20 CHED CCSCC[C@@H](C)NC(=O)Nc1cccc(C#N)c1C 178543374 VGLAITHHVIXELD-LLVKDONJSA-N 291.420 3.520 30 20 CHED Cc1ncc(CN(C)CC#Cc2cccc(Cl)c2)s1 178918063 NAASFKNKTRKKRL-UHFFFAOYSA-N 290.819 3.588 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCc1ccccc1C#N 179095209 HCKRUBZJZXKFAI-HOTGVXAUSA-N 274.433 3.712 30 20 CHED C=C(C)COc1cccc(NCc2cccc3nccn23)c1 179430182 UBHJFNMZIQIRAG-UHFFFAOYSA-N 293.370 3.901 30 20 CHED C=CCSCCN[C@@H](CC)c1ccc2c(c1)CCO2 180454597 FJCLEAORXJWQRC-HNNXBMFYSA-N 277.433 3.581 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)cc1Cl 181496407 RBIMVFAFPWDQFN-UHFFFAOYSA-N 252.745 3.688 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](C)CCCOC)c1 182702990 ITWIRYWNFKMOSX-CQSZACIVSA-N 291.391 3.643 30 20 CHED CC[C@@H](CC#N)NC(=O)CCCc1ccc2ccccc2c1 183946893 MZYRCPXJTXLHEQ-SFHVURJKSA-N 294.398 3.971 30 20 CHED CC#CCCCC(=O)Nc1ccc(C(F)(F)F)cc1 184882196 YGNNZATWPKZQFE-UHFFFAOYSA-N 269.266 3.838 30 20 CHED C[C@H](NCCCCC#N)c1cc2c(cc1O)CCCC2 185339385 CFPLMDNAWZKVNL-ZDUSSCGKSA-N 272.392 3.615 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1ccc(C(F)F)cc1 185652506 UGMPWADXGRQUGS-SNVBAGLBSA-N 285.359 3.548 30 20 CHED CCN(CCCN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 185761217 ISRWPBIBVABGHP-DLBZAZTESA-N 285.435 3.575 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2coc(-c3cccs3)n2)C1 185799529 GTPCTDUXOHRULM-NWDGAFQWSA-N 287.388 3.575 30 20 CHED CCO[C@@H](CCN[C@H]1CCC[C@H](C#N)C1)C1CCCC1 185851967 NNOMOHCHVKPLLL-XIRDDKMYSA-N 278.440 3.644 30 20 CHED C=CCOc1ccccc1CNC(=O)C1=CCCCCC1 186337458 ZRDQINDNEYSYSH-UHFFFAOYSA-N 285.387 3.758 30 20 CHED C=CCCCC(=O)Nc1ccc(OC)c(OC(C)C)c1 186647049 NKOBLMUQSAADNA-UHFFFAOYSA-N 277.364 3.777 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCCC1=CCCCCC1 186842960 IGBOOWULDNKIHY-QGZVFWFLSA-N 279.424 3.612 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1ccc(F)cc1 188250105 NRAZEZCMALSNKT-KRWDZBQOSA-N 277.383 3.822 30 20 CHED C=CCC1(C(=O)NCCc2ccc(Cl)cc2)CCC1 190404015 GUPKCAPVTWPHNL-UHFFFAOYSA-N 277.795 3.745 30 20 CHED CCCCNC(=O)[C@H](C)S[C@H](C)c1cccc(C#N)c1 190874924 NTWBJUFHVNHYPA-OLZOCXBDSA-N 290.432 3.657 30 20 CHED C#CCCCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 192095183 RAFUFAMWUSXALT-UHFFFAOYSA-N 273.229 3.587 30 20 CHED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C)o1 193051749 LSCTVOAWASHLKP-UHFFFAOYSA-N 294.354 3.573 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](CC)c1ccc(F)cc1 193122159 KQZUDMZOYPGXRI-HNNXBMFYSA-N 261.340 3.520 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1 209918066 HKCXUICOFVDVGU-FLIBITNWSA-N 287.309 3.927 30 20 CHED C=CCSCCN[C@@H](C)c1ccccc1OCC 221936743 NRCFNVRXGWKZEI-ZDUSSCGKSA-N 265.422 3.655 30 20 CHED CC(C)OCCCCNc1ccc(C#N)c(Cl)c1 228562383 LGRCNBFEAJCNEX-UHFFFAOYSA-N 266.772 3.829 30 20 CHED Cc1csc(C(=O)Nc2ccccc2C#N)c1Cl 235967551 KIWRFHXAHASFTG-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](C)c1ccccc1Cl 246055560 VGNMHKGKNYXIEB-OLZOCXBDSA-N 267.800 3.660 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 246958409 PNAXUKWCLAFYLO-HALDLXJZSA-N 299.418 3.524 30 20 CHED C=CCCCOC(=O)/C=C\SCc1ccco1 255392340 GTOOREWEPGRIOZ-YFHOEESVSA-N 252.335 3.536 30 20 CHED C=C1CCN(C(=O)c2cc(Br)ccc2C)CC1 266177267 XTMOUPDLFJOUSZ-UHFFFAOYSA-N 294.192 3.550 30 20 CHED CCCN(CC#N)C(=O)/C=C(\C)c1cccc(Cl)c1 267358645 NLLKMGJIDOJFIY-ZRDIBKRKSA-N 276.767 3.505 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Cl)cc1Cl 267524506 NMNMDKQAGOQEQQ-NSHDSACASA-N 285.174 3.661 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@@H]1Cc1ccccc1 268191389 KTWCEAIXDQOBMN-IRXDYDNUSA-N 269.388 3.502 30 20 CHED Cc1cccc(C(C)(C)NCc2ccc(OCC#N)cc2)c1 271764965 IPNDNGLEZHASTP-UHFFFAOYSA-N 294.398 3.922 30 20 CHED COc1cccc(C2(N[C@H](C)c3ccc(C#N)cc3)CC2)c1 272310463 TUCHCMIEUGXUDN-CQSZACIVSA-N 292.382 3.907 30 20 CHED C[C@H](c1cccnc1)N(C)CCCCC(C)(C)C#N 277592434 DJEJMGDARPOJQW-CQSZACIVSA-N 259.397 3.794 30 20 CHED CC(C)(C#N)CCCCN(Cc1ccccn1)C1CC1 277879427 ZDSXEFOFYWWQLW-UHFFFAOYSA-N 271.408 3.766 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(Cc3cccc(F)c3)CC2)C1 278580644 KDLPHDJWJGQKPV-WMZOPIPTSA-N 286.394 3.772 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(OC)c(C)cc1C)OCC 279984723 ITRIWDCMSKSDCS-HNNXBMFYSA-N 291.391 3.622 30 20 CHED C=C(C)CCc1noc(C[C@@H](O)c2ccc(Cl)cc2)n1 285043338 GVZHTCLXTKJQQK-CYBMUJFWSA-N 292.766 3.508 30 20 CHED COCCCCSCc1ccc(Cl)cc1C#N 285234376 YLNRLNRLGPQKRD-UHFFFAOYSA-N 269.797 3.871 30 20 CHED C[C@@]1(c2ccccc2)CCCN(C[C@H](C#N)CCC#N)CC1 285432198 RENOXOAPVBLPPR-PKOBYXMFSA-N 295.430 3.874 30 20 CHED C=CCCCCCCNC(=O)Nc1c(C)nn(CC)c1C 287058025 KOPDHOURNSRELO-UHFFFAOYSA-N 292.427 3.778 30 20 CHED Cc1csc(NC(=O)c2nc(C(C)C)oc2C)c1C#N 288817666 MUGMINJAPDDOCT-UHFFFAOYSA-N 289.360 3.600 30 20 CHED C=CCC[C@@H](C(=O)Nc1nc(C2CC2)c[nH]1)c1ccccc1 289261905 GOFIFBRBUWLCAO-OAHLLOKOSA-N 295.386 3.976 30 20 CHED C=C(C)CN1CCC(c2noc3cc(F)ccc23)CC1 289852023 PUOLILFFRXXJTD-UHFFFAOYSA-N 274.339 3.722 30 20 CHED C=CCCCN[C@@H]1c2ccccc2CC12CCOCC2 290062827 FGGQMKNQVLDVGU-QGZVFWFLSA-N 271.404 3.636 30 20 CHED Cc1nc(N2CCc3sccc3C2)c(Cl)cc1C#N 291004673 UFRFUAPNFFGVFB-UHFFFAOYSA-N 289.791 3.539 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)c2cscn2)s1 297765687 MFQKXDGJAUXYLT-UHFFFAOYSA-N 291.401 3.626 30 20 CHED CCN(CC#N)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 298026889 DZBSPLKSJDYRMZ-NSHDSACASA-N 289.766 3.901 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@@H]2CCCC[C@H]2C1 300406354 VUOBSAAUIRLSLS-ZFWWWQNUSA-N 272.367 3.709 30 20 CHED CCC(CC)(CCO)CNc1c(Cl)cccc1C#N 301444840 XQRNXSXGMDEKMT-UHFFFAOYSA-N 280.799 3.812 30 20 CHED C=C[C@@H](C)Nc1ccc(C(=O)Nc2ccc(C)cc2)cn1 301605705 MOBLIDUYMGEXIZ-CYBMUJFWSA-N 281.359 3.629 30 20 CHED C=C(C)COCCNc1c(C#N)cnc2c(C)cc(F)cc12 301673456 PDLUPONRMHIDDT-UHFFFAOYSA-N 299.349 3.559 30 20 CHED Cc1cccc([C@H](O)CNc2ccc(Cl)cc2C#N)c1 301680977 FPIQKBWPAFXPNV-MRXNPFEDSA-N 286.762 3.666 30 20 CHED N#Cc1ccc(NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c(F)c1 301720622 ZXHXYFINCJHYDQ-IIDMSEBBSA-N 278.330 3.695 30 20 CHED Cc1c(Nc2cccc(F)c2C#N)cnn1CCC(C)C 301760592 BFXFGIPZIKDPCU-UHFFFAOYSA-N 286.354 3.992 30 20 CHED C#CCCNc1cc(Br)c(C)cc1C 306634818 XCKGOOMNKZEMRJ-UHFFFAOYSA-N 252.155 3.501 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2nccc3sccc23)CCC1=O 329612891 OPNIETSYSSOOHI-NXEZZACHSA-N 288.372 3.890 30 20 CHED CC(C)c1ncc(/C(O)=N/[C@@H](CO)CC2CCCC2)s1 330429907 KZTXHVHUMOAYDT-GFCCVEGCSA-N 296.436 3.512 30 20 CHED Cc1cccc(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] 331057645 ADKFPKMMSHXZAA-ZYHUDNBSSA-N 276.336 3.644 30 20 CHED N#CCC1CCN(C(=O)Nc2cccc(F)c2Cl)CC1 334240401 OOYXIRCLRFQMRL-UHFFFAOYSA-N 295.745 3.637 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc2sccc2c1 334345591 PADXSOVZCYSNNF-UHFFFAOYSA-N 272.373 3.523 30 20 CHED C=C1CCN(Cc2coc(-c3cccs3)n2)CC1 334576179 IVRNPDHHXRIABQ-UHFFFAOYSA-N 260.362 3.555 30 20 CHED Cc1ccc(F)cc1NC(=O)C1(c2cccc(C#N)c2)CC1 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CCN(CC#N)C/C(C)=C/c1ccccc1C(F)(F)F 503909404 LTTDAOPDUIRCSL-ZRDIBKRKSA-N 282.309 3.954 30 20 CHED COc1cccc(Cl)c1CSc1ccc(C#N)cn1 505659152 KDQLHBRMPOOZOQ-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=CCOc1ccccc1-c1nc(-c2ccco2)no1 508000311 QHZYMAPPLBOOSG-UHFFFAOYSA-N 268.272 3.561 30 20 CHED C=C(C)CCc1noc(-c2ccc(N3CCC(C)=N3)cc2)n1 508622437 XIAPVDQRWMRNTE-UHFFFAOYSA-N 296.374 3.831 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)Nc1cccc(C#N)c1 514102821 VXOMCZZUGANUMO-CYBMUJFWSA-N 273.380 3.895 30 20 CHED CCc1nocc1CSCCCC(C)(C)C#N 516663749 ZHUXBYPJOLMKDN-UHFFFAOYSA-N 252.383 3.800 30 20 CHED Cc1csc(NC(=O)N2CCC[C@H]2C2CCC2)c1C#N 521757640 ZUNCALVUTLDJBB-ZDUSSCGKSA-N 289.404 3.725 30 20 CHED C[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 522977108 WWAAHDQVAIAIKY-ABAIWWIYSA-N 290.794 3.847 30 20 CHED C=CCN(C(=O)CCCOc1ccc(Cl)cc1)C1CC1 536821133 LIFIGPAWACRMCM-UHFFFAOYSA-N 293.794 3.676 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 538334539 YEHYZYBBGCWIBR-QWHCGFSZSA-N 295.810 3.968 30 20 CHED C[C@@H](c1ccccc1)N1CC[C@H](Nc2cccc(C#N)c2)C1 538862553 LTHNGKHIBZTRDQ-KXBFYZLASA-N 291.398 3.806 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)c1ccc(C)cc1 539715714 PDTWNNFJZSLNPA-HIFRSBDPSA-N 260.381 3.710 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)CC(C)(C)c1ccccc1 540604974 BFJSBYIHXCMSKI-JKSUJKDBSA-N 275.436 3.517 30 20 CHED CC#CCCNC(=O)C1(c2cccc(C)c2)CCCCC1 544579035 KZJRQUCHLWBVDL-UHFFFAOYSA-N 283.415 3.727 30 20 CHED C=CCC(C)(C)CNCc1cnc(C2CC2)s1 550223639 KZSHBMCNYDQHGP-UHFFFAOYSA-N 250.411 3.712 30 20 CHED C=CCC(F)(F)c1nc(-c2cc(F)cc(F)c2)no1 551337823 HHVIACXYSXMZEG-UHFFFAOYSA-N 272.201 3.683 30 20 CHED CC(C)(C#N)CCN(CCN1CCCCCC1)C1CCC1 558147432 MKJPEZGNUHKTRJ-UHFFFAOYSA-N 291.483 3.657 30 20 CHED C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCCCC1 558984768 KFKOOOACBMJQHJ-UHFFFAOYSA-N 296.418 3.820 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@@H](C)c1ccccc1 559392580 CSYHSOGHKUESBA-CQSZACIVSA-N 259.393 3.899 30 20 CHED C=CC[C@H](CC)NC(=O)NC1(c2ccc(Cl)cc2)CC1 563989871 MHXZHEXSDIDOJH-AWEZNQCLSA-N 292.810 3.983 30 20 CHED CCCCCc1ccc(Oc2ncncc2C#N)cc1 566150487 SPHGQEMTCTZEGO-UHFFFAOYSA-N 267.332 3.873 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCC(C)(C)c1ncccc1C 571814127 MTMDIBYMJKERJQ-UKRRQHHQSA-N 260.425 3.858 30 20 CHED C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)[C@H](C)[C@@H]1C 573942789 ZBTQKJPWHNIKMC-JHJVBQTASA-N 265.360 3.587 30 20 CHED C=CCCCNCc1cnc(-c2ccsc2)s1 575371135 MCKVYHWGYQVOQD-UHFFFAOYSA-N 264.419 3.927 30 20 CHED C=CCCc1noc([C@H](C)Oc2ccc3c(c2)CCC3)n1 578114703 CNMJGDYLQAGCJL-LBPRGKRZSA-N 284.359 3.817 30 20 CHED CC(C)C(C)(C)NC(=O)c1ccc(C(C)(C)C#N)cc1 578411705 OVHUNLDHHCUZHI-UHFFFAOYSA-N 272.392 3.652 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1c2cc(C)ccc2C[C@H]1C 578801896 BAJJDBHSROGWTK-JZGRTCEGSA-N 285.431 3.799 30 20 CHED Cc1[nH]c(=NCc2cccc(Cl)c2Cl)ccc1C#N 581532137 DKZSXGPNGGHLPF-UHFFFAOYSA-N 292.169 3.603 30 20 CHED Cc1cc(NC(=O)[C@H]2CC[C@H](C)CC2)c(C#N)cc1N(C)C 582967821 INEJJCYKZLGGJA-MQMHXKEQSA-N 299.418 3.698 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1)C1CCCC1 593414847 NPDGJNWVALKTBA-CZUORRHYSA-N 270.376 3.584 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1ccccc1)CC(C)(C)C 593453516 IFFAZHILQQPZGK-OAHLLOKOSA-N 272.392 3.611 30 20 CHED CCC1(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CCCC1 593991393 BNRDWFGOWUUCBU-HNNXBMFYSA-N 298.430 3.823 30 20 CHED Cc1ncc([N+](=O)[O-])c(OCCCCC(C)(C)C#N)c1C 594902622 ADHVXADRKXMLTF-UHFFFAOYSA-N 291.351 3.706 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(C#N)cc1F 595058309 HEDQFRZRILQWOV-GFCCVEGCSA-N 278.396 3.657 30 20 CHED C[C@@H](C#N)N(Cc1ccc(C(F)F)cc1)C1CC1 595709062 CDQODEXWEKOQAD-JTQLQIEISA-N 250.292 3.501 30 20 CHED CCN(Cc1ccccc1Oc1cccnc1)[C@H](C)C#N 595813431 MTFWVJDUDPNDAK-CQSZACIVSA-N 281.359 3.608 30 20 CHED N#Cc1nc(N2CC3(CC3)c3ccccc32)sc1Cl 596134822 NYGBKHYBCCXWFQ-UHFFFAOYSA-N 287.775 3.851 30 20 CHED Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)[C@H](C)C#N 597782634 WHNHTYHTUSYRIU-MRVPVSSYSA-N 297.185 3.741 30 20 CHED CCN(C[C@H](O)CC(C)(C)C#N)[C@H](C)c1ccc(F)cc1 598586659 KJIOIQXMQNRHEW-CZUORRHYSA-N 292.398 3.509 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccnc(-c3ccccc3)c2)C1 599088959 UXVFMFGANIUXCD-YOEHRIQHSA-N 277.371 3.530 30 20 CHED CCc1ccc([C@@H]2CN(C[C@H](C)CCC#N)CCO2)cc1 602635876 VISPCJRIGQEGBS-QAPCUYQASA-N 286.419 3.562 30 20 CHED Cn1ccc2c(NC(=O)C3(C#N)CCCCC3)cccc21 608882834 VJOWSONOHZQDHJ-UHFFFAOYSA-N 281.359 3.591 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 608962609 PCQMSNQEMSJQQS-SOUVJXGZSA-N 278.440 3.893 30 20 CHED CCCN(CC(C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1 610407491 XSUDHHGHIRKCLS-AWEZNQCLSA-N 287.407 3.697 30 20 CHED N#Cc1ccc(NC(=O)CCCc2ccccn2)c(Cl)c1 610872532 RJZIDSYVTVPQMX-UHFFFAOYSA-N 299.761 3.568 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 611115236 ZTFIHEDZNPPWST-WFASDCNBSA-N 292.810 3.573 30 20 CHED CC[C@H](C#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 611148995 RAHHPHOLCROPLM-RKDXNWHRSA-N 285.174 3.515 30 20 CHED C=C(CC)CSCc1csc(-c2cnn(C)c2)n1 611339398 FVXCFOZTJYAOLC-UHFFFAOYSA-N 279.434 3.743 30 20 CHED C[C@H](C(=O)NCCCC#N)c1c(Cl)cccc1Cl 612063456 RHGATVNXLZDGIW-VIFPVBQESA-N 285.174 3.517 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(F)cc2Cl)C1 612164917 IXCRXXCGWVWJDE-CQSZACIVSA-N 266.747 3.605 30 20 CHED N#Cc1cc(O)cc(C(=O)Nc2cccc3ccccc23)c1 614357752 WAISPGXINZMIQJ-UHFFFAOYSA-N 288.306 3.669 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)n([C@H](C)CC)n2)C1 617781108 FDZDRQRJPNFKFS-UKRRQHHQSA-N 289.423 3.591 30 20 CHED COc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 618802451 KMOOJVNFRSABHP-YJYMSZOUSA-N 292.382 3.905 30 20 CHED CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618852485 UYIBNNLMVIMITE-NVXWUHKLSA-N 297.402 3.520 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCO[C@H](CCC)C2)CCCC1 619111299 TYQOIOLPSAHAFA-HUUCEWRRSA-N 279.424 3.587 30 20 CHED C=CCNC(=O)c1ccccc1NCc1ccc(CC)cc1 630056261 XEBJZBKJOIOKCT-UHFFFAOYSA-N 294.398 3.777 30 20 CHED C=CCC1(C(=O)NC2(C(F)(F)F)CC2)CCCCC1 655092882 NKYGDDXLBGIAGA-UHFFFAOYSA-N 275.314 3.724 30 20 CHED C=CC[C@@H]1CCCN(Cc2sc(C)nc2C)C1 661379767 IFUGPXQARYHCCU-CYBMUJFWSA-N 250.411 3.548 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2c(F)cc(F)cc2F)C1 666215465 IEOQMFAXAPXDSN-SNVBAGLBSA-N 298.308 3.924 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)ns1 683689722 KFBVPKDBAVMVBL-SECBINFHSA-N 291.401 3.522 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H]1CCc2c(Cl)cccc21 684939210 MMAAOPMPHAUFDX-RISCZKNCSA-N 277.795 3.841 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 690184670 LHIGIXICCZQTRY-ZWNOBZJWSA-N 276.767 3.832 30 20 CHED CSC1(CN[C@H](C)CC(C)(C)C#N)CCCCC1 695821090 YHWOJYOXTHWKOV-CYBMUJFWSA-N 268.470 3.970 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1ccco1 726426769 GDCRFCWYVQCANR-UHFFFAOYSA-N 266.247 3.717 30 20 CHED C/C(=C/C(=O)OCCCCC#N)c1ccccc1Cl 727573447 BULPNGZBTJCODJ-QXMHVHEDSA-N 277.751 3.980 30 20 CHED CC(=NNC1CCCC1)c1ccc(OC(C)C)cc1 727652704 VUDFJOKWZIVENV-UHFFFAOYSA-N 260.381 3.730 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@@H](C)CC(C)C 727660772 CLPVCVWXAGGTAM-ZDUSSCGKSA-N 289.375 3.935 30 20 CHED N#CCOc1cccc(/C=C2\CCc3ccccc3C2=O)c1 727744745 JOTYKEXYMIEKQQ-FOWTUZBSSA-N 289.334 3.801 30 20 CHED CCc1ccc(NC(=S)N(CCC#N)CC2CC2)cc1 728793732 WOQVFDCEGWKGPV-UHFFFAOYSA-N 287.432 3.571 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C/c1cc(Br)ccc1O 729641861 ZWRUUQLCCDEDGY-ZDIKFTBFSA-N 282.181 3.762 30 20 CHED CC/C=C(\C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 729891035 WDXASRJYTGDVFV-CYIWUNGXSA-N 264.328 3.767 30 20 CHED COc1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1C 731565088 DPQXPZILDANUNI-JYRVWZFOSA-N 298.313 3.801 30 20 CHED CCC(C=NNc1ccc(Br)nc1)CC 732713315 XOVOETQXSFTICI-UHFFFAOYSA-N 270.174 3.678 30 20 CHED CC(=NNc1ncnc2sccc12)C1CCCC1 733076915 YJLKZJNCIKTKBV-UHFFFAOYSA-N 260.366 3.669 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1 733323172 MEFPSDWUYJOCKY-CQSZACIVSA-N 283.346 3.689 30 20 CHED C#CCOc1ccc(CNC[C@@H](C)c2ccc(F)cc2)cc1 733327797 BESRGTYCFHWSCJ-OAHLLOKOSA-N 297.373 3.731 30 20 CHED C#CCCOc1ccc(CN[C@H](CC)CCC)cc1 733327886 DZCMVKOESIXCFW-MRXNPFEDSA-N 259.393 3.757 30 20 CHED C=CC[C@H](NC(=O)Cc1cc(C)ccc1C)c1ccncc1 734354765 RFOBMKVYYIXMDU-SFHVURJKSA-N 294.398 3.675 30 20 CHED N#Cc1cccc(NC(=O)/C=C\C2CCCCC2)c1 735422715 YYCWWCXBANAZCK-KTKRTIGZSA-N 254.333 3.633 30 20 CHED CCCCCCCCCCC(=O)Nc1cccnn1 736025012 RXFXCPHPUGZJBK-UHFFFAOYSA-N 263.385 3.946 30 20 CHED Cc1cc(C)cc(C=NNc2ccc(Cl)nc2)c1 743450781 ZKKJIAVCTZYRBN-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CC#CCOC(=O)c1sc2ccccc2c1Cl 744466807 VNXNUXPCYXCXRF-UHFFFAOYSA-N 264.733 3.735 30 20 CHED CC#CCOC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 744960379 WZWPFIFCWIYIMH-UHFFFAOYSA-N 291.306 3.531 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1cccs1 747062229 VNSBKNWPYHFBKS-UHFFFAOYSA-N 275.333 3.801 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCc2cc(C)cc(C)c21 747309520 UDWMFDHASYLPTD-HNNXBMFYSA-N 287.403 3.564 30 20 CHED CC(C)CCCCCC(=O)NCC#Cc1ccccc1 747873225 DBFQBPUXAONQKV-UHFFFAOYSA-N 271.404 3.761 30 20 CHED CC(=NNCc1ccccc1)c1ccc2ccccc2n1 749809190 BVIJLNUZBGLSEX-UHFFFAOYSA-N 275.355 3.749 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)OCC1(C#N)CC1 753565685 PLZGSINQDUPHAE-UONOGXRCSA-N 283.371 3.823 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1ccccc1F)OCC 756470050 JEYJCXLYFQPDCD-DOMZBBRYSA-N 280.339 3.801 30 20 CHED C=C[C@H](C)NC(=S)Nc1c(CC)cccc1CC 756795029 FZJVGEXBGRIUMX-NSHDSACASA-N 262.422 3.672 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)cc1F)C1CCCC1 757843638 WEPVQPXMWZRSTG-UHFFFAOYSA-N 289.350 3.957 30 20 CHED C=C[C@@H](CC(=O)N(CCC#N)CC(C)C)c1ccccc1 758773613 CQDMWUHYWWVKLL-INIZCTEOSA-N 284.403 3.745 30 20 CHED C#CCCCC(=O)OCc1cccc(C(F)(F)F)c1 759173776 PBCVFDIYAYKKGF-UHFFFAOYSA-N 270.250 3.552 30 20 CHED C[C@@H]1CC(=NNc2ncc(F)cn2)C[C@@H](c2ccccc2)C1 760264333 AVLWLUNYJPIMTK-JSGCOSHPSA-N 298.365 3.987 30 20 CHED C#CCCCCCc1nc([C@H]2CCc3ccccc32)no1 762069123 JAVKIUSMKUJOJA-INIZCTEOSA-N 280.371 3.884 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)o1 762428428 ZDNWCZFXOBASRB-AVGNSLFASA-N 286.379 3.579 30 20 CHED Cc1cc(OC(=O)CSc2ccccc2)ccc1C#N 765093577 CGNTYJURVSZNQJ-UHFFFAOYSA-N 283.352 3.564 30 20 CHED C#C[C@H](C)N(C)C(=O)C1(c2cccc(Cl)c2)CCCC1 767258669 BORROWVBDCPCEX-ZDUSSCGKSA-N 289.806 3.632 30 20 CHED N#CC1(COC(=O)c2cccc(OC3CCCC3)c2)CCC1 768106322 XFIWSCMWZFCUAB-UHFFFAOYSA-N 299.370 3.859 30 20 CHED C=C(C)COc1cccc(N[C@H](C)C[C@@H]2CCOC2)c1 768515363 BVASWDBWNGYHCZ-CABCVRRESA-N 275.392 3.869 30 20 CHED Cc1ccnc(NN=C2CC[C@H]2c2ccccc2)c1 769792828 KYXCJWSAWCCAOD-AWEZNQCLSA-N 251.333 3.736 30 20 CHED CC1(C)CC(=NNCC(F)(F)F)CC(C)(C)C1 769810250 KFWYHDIKZFCWSC-UHFFFAOYSA-N 250.308 3.731 30 20 CHED C=CCCCc1nc(Cc2ccccc2CC)no1 771419513 NUBONWCJFNWPPR-UHFFFAOYSA-N 256.349 3.732 30 20 CHED C=C(Cl)CN[C@H]1CCc2ccc(OC(F)(F)F)cc21 773004478 LKVDHXQCCHJICD-LBPRGKRZSA-N 291.700 3.915 30 20 CHED CCCc1cccc(C=NOCc2cccnc2)c1 774392153 BRYOVUXFNLFTEQ-UHFFFAOYSA-N 254.333 3.585 30 20 CHED C#C[C@@H](C)N(C)Cc1cc(-c2ccccc2)cs1 775183999 RMIYMVTUKNYPSY-CYBMUJFWSA-N 255.386 3.869 30 20 CHED C#CCCCCC(=O)N1c2ccccc2CC[C@H]1CC 775613759 PCLATFRTFOAAMK-MRXNPFEDSA-N 269.388 3.938 30 20 CHED C=C[C@H](CC)OC(=O)c1[nH]c(-c2ccccc2)nc1C 776101208 OBSRILANKMDYDI-CYBMUJFWSA-N 270.332 3.507 30 20 CHED COc1ccc(/C=C/C(=O)O[C@H](C#N)C2CCCCC2)cc1 776360714 DJRQVHDNRZUJCW-XLNAKTSKSA-N 299.370 3.724 30 20 CHED CC(C)(C#N)CCOC(=O)c1sccc1-n1cccc1 776365282 XFSHAKSZWNDPNY-UHFFFAOYSA-N 288.372 3.635 30 20 CHED C[C@H](C(=O)O[C@H](C#N)C1CCCCC1)C1CCCC1 776394269 WJZCUGRHESMDPQ-SWLSCSKDSA-N 263.381 3.828 30 20 CHED Cc1cc(C)cc(CCC(=O)Oc2ccc(C#N)cc2F)c1 777039316 ZNKWXKMMZGNDBR-UHFFFAOYSA-N 297.329 3.852 30 20 CHED Oc1ccccc1/C=N\Cc1ccc(Cl)cc1F 777401399 NOQISZPEYYQNFZ-MFOYZWKCSA-N 263.699 3.804 30 20 CHED COc1cc(C=NOC2CCCCC2)cc(Cl)c1O 777457154 NCXMUMFJROPCKO-UHFFFAOYSA-N 283.755 3.737 30 20 CHED Oc1ccccc1/C=N\[C@H]1CCCOc2c(F)cccc21 777873550 OGVDQZPFLUYKPT-VUQQOUJSSA-N 285.318 3.864 30 20 CHED CCSCCON=Cc1ccccc1OC(C)C 778020933 XIJMYKSVGHZRON-UHFFFAOYSA-N 267.394 3.577 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2ncsc2c1 778083417 INSYAEWGOXYFPG-UHFFFAOYSA-N 288.372 3.783 30 20 CHED C=CCN(CCc1ccco1)C(=S)Nc1ccccc1 778534032 UVZGWTGDOSPQPN-UHFFFAOYSA-N 286.400 3.707 30 20 CHED FC(F)(F)CON=Cc1ccc(Oc2ccccc2)o1 779783740 NPTLUKNVQRYOJJ-UHFFFAOYSA-N 285.221 3.985 30 20 CHED C#CCCCCCC(=O)Nc1cc(-c2ccccc2)[nH]n1 780378345 WKSMCULMZPFVIH-UHFFFAOYSA-N 281.359 3.599 30 20 CHED CC(=O)Nc1ccc(C(C)=NNc2cccc(C)c2)cc1 781575428 UCAQIUYGRARBHM-UHFFFAOYSA-N 281.359 3.790 30 20 CHED C=CCOC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1 781749164 MACMKKOULYJBLY-UHFFFAOYSA-N 280.751 3.668 30 20 CHED C[C@H](OC(=O)[C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 781800997 JHMHISGRFPMWLQ-WFASDCNBSA-N 271.360 3.989 30 20 CHED COC(=O)c1cccc(NN=Cc2sccc2Cl)c1 782267581 FHFCTFBPFWZGBN-UHFFFAOYSA-N 294.763 3.634 30 20 CHED C=CCCCCCOC(=O)c1cnc(NC2CC2)s1 784255490 BQIGSFWFCCMNOR-UHFFFAOYSA-N 280.393 3.621 30 20 CHED Cc1cc(COC(=O)C[C@H]2C=CCCC2)ccc1C#N 784832568 UGTLBBLHFUHZBW-AWEZNQCLSA-N 269.344 3.656 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccn(-c2ccccc2)n1 785769076 OSRZAHUOGLUKRD-QGZVFWFLSA-N 284.359 3.518 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C(\C)c1ccccc1 785852043 FBWUAJMJVIZJHP-FIFPYPGSSA-N 255.361 3.657 30 20 CHED C#Cc1ccc(C(=O)OC/C=C/c2ccc(Cl)cc2)nc1 787694648 KVWZISBKGBKFMC-ONEGZZNKSA-N 297.741 3.587 30 20 CHED C#CCC1(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)CCCCC1 788222598 GUZOPEQTOHTHEM-MJGOQNOKSA-N 295.426 3.807 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CC=C(C)CC2)c1 788646068 QMJALZWZHKUNGD-DLBZAZTESA-N 284.403 3.956 30 20 CHED Cc1cccc(OC(=O)c2ccc(F)c(C#N)c2)c1Cl 791034205 IIWYUBKOYNSLNV-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C#C[C@@H](CCC)NC(=O)CCc1ccc(-c2ccccc2)o1 791197485 PNQSSTHHRQCHHZ-INIZCTEOSA-N 295.382 3.797 30 20 CHED N#Cc1ccc(C(=O)OCCCCCF)cc1Cl 792156734 FLCOFKXRQCGHRN-UHFFFAOYSA-N 269.703 3.508 30 20 CHED CC(C)O[C@H](C=NNc1ncccc1F)c1ccccc1 793052845 DUPQRYMVWIWODZ-OAHLLOKOSA-N 287.338 3.785 30 20 CHED C=CCOc1ccc(C=NN[C@H](C)C(C)(C)C)cc1OC 793115648 SFGSTVCAPVXPLO-CYBMUJFWSA-N 290.407 3.618 30 20 CHED CC(C)CC[C@H]1CCCC1=NNc1ncncc1F 793210942 OZRNIVDPNNRMDK-LLVKDONJSA-N 264.348 3.620 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H](C(C)(C)C)C1 794348605 PYDBZDLUWIBJMV-OAHLLOKOSA-N 263.425 3.855 30 20 CHED COC(=O)C[C@@H]1CCC(=NN[C@@H]2CCCCC2(C)C)[C@@H]1C 794538622 UBWZMOWXEAAWCB-VNHYZAJKSA-N 294.439 3.510 30 20 CHED CCCOc1ccc(C(C)=NOCCSC)cc1 794573134 SSFFZGQGKCQZIX-UHFFFAOYSA-N 267.394 3.579 30 20 CHED CCC(=NNc1ncccc1C)c1cccc(C)c1 794940004 OSXSOHNNZPTRAF-UHFFFAOYSA-N 253.349 3.925 30 20 CHED CC(C)c1ccc(/C=C2\CCc3nn(C)cc3C2=O)cc1 794965424 SCELWVRDPHZKBX-XNTDXEJSSA-N 280.371 3.756 30 20 CHED Fc1ccccc1-c1ccc(C=NNc2cncnc2)s1 794978696 MSPBSSXLKRXFJK-UHFFFAOYSA-N 298.346 3.790 30 20 CHED Cc1ccc(C2CC(=NNc3ncccc3F)C2)cc1 794989758 BOJFLZYAWCCRED-UHFFFAOYSA-N 269.323 3.875 30 20 CHED Fc1cccc(NN=C2CCC[C@@H](C(F)(F)F)C2)n1 795008353 GAKLTLGHTBCJEL-MRVPVSSYSA-N 275.249 3.741 30 20 CHED CCC[C@@H](C)OC(=O)c1ccc(C(C)(C)C#N)cc1 796037349 VSJVCDYTNRLODG-GFCCVEGCSA-N 259.349 3.833 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cc(C)c(Cl)c(C)c1 796783573 YZYBBOZBOUHMKF-CQSZACIVSA-N 265.740 3.802 30 20 CHED C/C=C(/C=C/C(=O)Nc1cc(C#N)ccc1NCC)CC 797163398 YODJZOMUXHSERJ-MGFPLEHVSA-N 283.375 3.841 30 20 CHED CC1(C)C[C@H](OC(=O)c2ccc(C#N)o2)c2ccccc2O1 797243341 LXOBRXIYGWUQDZ-HNNXBMFYSA-N 297.310 3.610 30 20 CHED C/C(=C\Cl)CS[C@H](C#N)Cc1ccccc1 797809649 FBORJCCZUHBOII-YKWSONSWSA-N 251.782 3.997 30 20 CHED C#CCCCCC(=O)N1CCCCc2sccc21 798047115 BQLQONGERIMOQW-UHFFFAOYSA-N 261.390 3.611 30 20 CHED CC(C)C[C@@H](C)C=NNc1oc(C(C)C)nc1C#N 799109976 MCIKJHKKGOQRPB-LLVKDONJSA-N 262.357 3.750 30 20 CHED C=C(C)COc1cccc(NCc2ncc(Cl)n2C)c1 799339198 JOPICOZWSBRROK-UHFFFAOYSA-N 291.782 3.641 30 20 CHED Cc1oc(C(C)C)cc1C(=O)OCCCSCC#N 805569107 CFPXATKZTYJMAF-UHFFFAOYSA-N 281.377 3.515 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(C(=O)O)c2)s1 806559017 RWWPMEKGUQKHAO-FPLPWBNLSA-N 272.325 3.651 30 20 CHED C#Cc1ccc(CN(Cc2cccs2)C2CC2)cc1 809546287 PLHJXIJFVVHCRA-UHFFFAOYSA-N 267.397 3.894 30 20 CHED C#Cc1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1 809584357 OFPCRHNJGIWMAZ-GOSISDBHSA-N 265.331 3.754 30 20 CHED C#Cc1ccc(CNC(C)(C)c2nc(C)c(C)s2)cc1 809620048 CGKXBFKMAZQQIV-UHFFFAOYSA-N 284.428 3.766 30 20 CHED C#Cc1ccc(CNCCC2CC(OC(C)(C)C)C2)cc1 809654335 ZLBXUXZQRBYJKI-UHFFFAOYSA-N 285.431 3.741 30 20 CHED C=CCC[C@H](CCC)Nc1cccc2c1COC2=O 809790754 DUQIOOFTEZXKRR-LBPRGKRZSA-N 259.349 3.904 30 20 CHED C=CCCCCCCCNC(=O)N(C)CC(F)(F)F 809852701 IKQREYSEGDKPFG-UHFFFAOYSA-N 280.334 3.717 30 20 CHED C=CCC1(C(=O)Oc2ccc3c(c2)CCCO3)CCC1 810994806 LSYFJVFREHPYSV-UHFFFAOYSA-N 272.344 3.663 30 20 CHED C=CCCCCOC(=O)c1ccc(C(F)(F)F)nc1C 811011309 RKNLPMJDAGBUNR-UHFFFAOYSA-N 287.281 3.922 30 20 CHED N#CC1(C(=O)OCc2cc(Cl)cc(Cl)c2)CCC1 811127336 ANTLIPWTVTYQSC-UHFFFAOYSA-N 284.142 3.730 30 20 CHED C#C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 811517203 KYTAPRDQVVSPEE-RCBQFDQVSA-N 272.779 3.686 30 20 CHED Cl/C=C/CON=C1c2ccccc2CC12CCOCC2 811668010 JDWCPNJNRHWAPE-IKJXDERQSA-N 291.778 3.513 30 20 CHED CC(=NOC1CCC1)c1ccc(OC(F)F)cc1 812235444 GYPDVEYNSRFLBP-UHFFFAOYSA-N 255.264 3.581 30 20 CHED CCO[C@@H]1CC(=NOCCOC(C)C)C12CCCCC2 812239035 LDMGHTJXAINWSC-OAHLLOKOSA-N 283.412 3.543 30 20 CHED CCc1cnc(C=NNc2ccc(Cl)cc2)s1 814683512 DLHVAUKQFJKQBU-UHFFFAOYSA-N 265.769 3.805 30 20 CHED C[C@@H]1C[C@H](C(=O)O)CCC1=NNc1ccc2ccccc2n1 814697472 PTVQEYBXZMUHQO-DGCLKSJQSA-N 297.358 3.524 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNCCCc1ccccc1 814838028 WDRGWWXSWHYIAM-MRXNPFEDSA-N 283.419 3.915 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccc(C)nc1C 814841313 LOGASGFPWKOFIX-UHFFFAOYSA-N 290.370 3.505 30 20 CHED CCCC(=NNc1cnnc2ccccc12)c1cccnc1 814849026 DQKRJLALLIYZRI-UHFFFAOYSA-N 291.358 3.641 30 20 CHED CC[C@H](C=NNc1cc(C)ccn1)c1ccccc1 814868533 WXJOQPDJFVKCLQ-CQSZACIVSA-N 253.349 3.982 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=C1CCC[C@H](C#N)C1 814906562 ABPYYUAOAYOIMS-WMZOPIPTSA-N 283.419 3.913 30 20 CHED CC(C)(C)C1CCN(N=C2CCC[C@H](C#N)C2)CC1 814913772 VKMCPIGRMPISLV-ZDUSSCGKSA-N 261.413 3.814 30 20 CHED COc1cc(NN=C2CCS[C@@H]2C)ccc1Cl 814919388 KOBDHSNHJFPPCN-MRVPVSSYSA-N 270.785 3.642 30 20 CHED C=CCC(F)(F)C(=O)N(CC)c1cccc(C)c1 814970220 INVZOLFTFLKPIY-UHFFFAOYSA-N 253.292 3.559 30 20 CHED C#C[C@@H](CC)NC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 821567264 JHPRTGMPGTZOLB-YJBOKZPZSA-N 296.414 3.650 30 20 CHED C#CCCCCC(=O)Nc1csnc1-c1ccccc1 821627495 CJWFBDUVJUUREE-UHFFFAOYSA-N 284.384 3.942 30 20 CHED C=C[C@H](CC)CC(=O)NCC[C@]1(C)CC1(Cl)Cl 821761454 BZUXSDBYSDBXNZ-ZYHUDNBSSA-N 278.223 3.679 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1cscn1 823063859 WAZPSNCCTSYHLV-ZDUSSCGKSA-N 282.453 3.798 30 20 CHED C=CCCCNC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 824307275 FEEKUOGKVZQRTK-CABCVRRESA-N 296.455 3.578 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2cc(OC)ccc2OC)c1 834903798 SFNBADHGLIQBHN-AWEZNQCLSA-N 295.382 3.536 30 20 CHED CCON=C1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 834937164 LFAZPXDWBQCLKY-TZMCWYRMSA-N 296.411 3.579 30 20 CHED O=C(O)c1ccc(NN=C2CCCC23CCCCC3)nc1 834966836 PEENUBWAXGNMMY-UHFFFAOYSA-N 287.363 3.682 30 20 CHED C=CC(C)(C)C(=O)Oc1ccccc1Br 835048780 ADBNCWGFHIZPOB-UHFFFAOYSA-N 269.138 3.567 30 20 CHED C=CC(C)(C)COC(=O)c1ccc2nc(C(F)F)[nH]c2c1 835724881 QTKZIDRSTKDFOM-UHFFFAOYSA-N 294.301 3.870 30 20 CHED C#CCN(C(=O)Nc1cc(C)cc(C(F)(F)F)c1)C1CC1 836556432 OHJJBEZPTBKYMV-UHFFFAOYSA-N 296.292 3.643 30 20 CHED CCCCCCCCCC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 836938436 OJQSUKAYYADOLF-ALOPSCKCSA-N 294.483 3.869 30 20 CHED C#Cc1cccc(CNC(=O)CCCc2ccc(C)s2)c1 837105076 HNHVWZLLWCNOPT-UHFFFAOYSA-N 297.423 3.677 30 20 CHED C[C@H](c1cc(F)ccc1F)N(C)C(=O)C#CC(C)(C)C 837333828 OLSSZVRZHJZQJB-LLVKDONJSA-N 279.330 3.534 30 20 CHED CCCCC[C@@H](CC)C(=O)NCC(C)(C)CC#N 837889916 RDZIDHQLFRFMLA-CYBMUJFWSA-N 252.402 3.649 30 20 CHED C#CCCCCCC(=O)Oc1ccccc1SC 839427717 KACFPUCBPAKBNZ-UHFFFAOYSA-N 262.374 3.898 30 20 CHED CSc1ccccc1CC(=O)O[C@H]1CCC[C@@H](C#N)C1 839450273 RPPYSBJJBCRWLK-OCCSQVGLSA-N 289.400 3.577 30 20 CHED C=C(C)CCNC(=S)Nc1cccc(Br)c1 840791240 CGSNQHNCYIMSGO-UHFFFAOYSA-N 299.237 3.702 30 20 CHED C[C@H](O)CN(C)N=C1CCC[C@@H](c2ccc(Cl)cc2)C1 841648499 LTHZTYXWABZOPT-GXTWGEPZSA-N 294.826 3.666 30 20 CHED N#CC1(CNc2ccc(C(F)(F)F)c(Cl)n2)CCC1 842053405 VGXOGWMHMXDMFZ-UHFFFAOYSA-N 289.688 3.860 30 20 CHED C=CCC(C)(C)COC(=O)CCc1scnc1C 842367193 HWOLAVDZRQEXAP-UHFFFAOYSA-N 267.394 3.530 30 20 CHED CCC/C(C)=C/C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842943868 ZQBKCBVNCYMLPB-PMDBQALLSA-N 274.389 3.943 30 20 CHED C#CC1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 843283203 KVBATVXHLFCBGB-UHFFFAOYSA-N 296.798 3.521 30 20 CHED C=CCCCC(=O)N(CC#N)c1ccc(Cl)cc1 843610288 FJFUZJXTTRMZCB-UHFFFAOYSA-N 262.740 3.553 30 20 CHED C#C[C@@H](NC(=O)CCCc1sccc1C)c1ccccc1 843643631 TXAHSYMPQRUYHI-MRXNPFEDSA-N 297.423 3.870 30 20 CHED C=CCCC(=O)OCCO[C@H](CC)c1ccccc1 845114586 SDDURCUNKMHZKV-OAHLLOKOSA-N 262.349 3.664 30 20 CHED CC(C)(C)SCCSCc1ccc(C#N)cn1 848434724 NAIGUMGUVDOCEZ-UHFFFAOYSA-N 266.435 3.718 30 20 CHED C=CC(C)(C)CCOC(=O)c1cnc2n1[C@H](C)CCC2 851300740 LKPXIUOYJOJYSC-GFCCVEGCSA-N 276.380 3.540 30 20 CHED C=C[C@H](OC(=O)[C@H](C)C(C)(F)F)c1ccccc1 851452290 QIWAGVZFCAHUBF-JQWIXIFHSA-N 254.276 3.748 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(OCC)cc1 853004555 USFLCWXKAMRXOH-JXMROGBWSA-N 284.359 3.588 30 20 CHED Cc1cccc2c1CCN(c1nc(C#N)c(Cl)s1)C2 853271932 OWJUNJWBLGSNHC-UHFFFAOYSA-N 289.791 3.539 30 20 CHED CCOC1CCC(=NOCc2ccccc2OC)CC1 853343232 YXAYNSNYUIGYCS-UHFFFAOYSA-N 277.364 3.547 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(O)c3ccccc3c2)C1 855436869 MQJFHTFWZCZPNN-CQSZACIVSA-N 295.382 3.974 30 20 CHED Cc1ccccc1SC[C@H](C)COC(=O)C(C)(C)C#N 859510664 XCGWAEJVSJBSDF-GFCCVEGCSA-N 291.416 3.816 30 20 CHED COCc1ccc(/C=C2\CCc3scnc3C2=O)cc1 863196141 AFHJAUKZSVBXPO-MDWZMJQESA-N 285.368 3.502 30 20 CHED C#Cc1ccc(CNc2cccc3c(OC)nccc23)cc1 864015094 DKOQMLHXNXKDMF-UHFFFAOYSA-N 288.350 3.837 30 20 CHED C#CCCOc1ccc(CNc2ccc(OC)cc2F)cc1 864042554 RVJKKKWQEIZZBJ-UHFFFAOYSA-N 299.345 3.849 30 20 CHED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 872133775 SOTLALZUSJBPIS-ZOCIIQOWSA-N 294.398 3.721 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc2c([nH]1)CCCC2 872340381 YCVJTXJMYDFWRE-UHFFFAOYSA-N 292.386 3.688 30 20 CHED CCC[C@@H](CC)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 873504955 NAMZZCXIEHYGOG-OLZOCXBDSA-N 283.375 3.874 30 20 CHED C=CCOc1cccc(NC(=O)C2(C)CC(F)(F)C2)c1 874163262 QRVVQFNVNNKESQ-UHFFFAOYSA-N 281.302 3.625 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1c(C)cc(OC)c(C)c1C 879569489 QIDODCWUWASBJP-QGZVFWFLSA-N 288.391 3.544 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1cccc(-c2ncco2)c1C 879646555 UFNNBCMCLORCTO-QGZVFWFLSA-N 297.358 3.573 30 20 CHED N#CC1(CCN2CCC[C@H](CF)C2)CCCCC1 880237883 JWUFHDONHZXYPM-CQSZACIVSA-N 252.377 3.532 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)c(O)cc1Cl 885677935 DOUQRSLXJMJFGV-UHFFFAOYSA-N 271.719 3.726 30 20 CHED C=C(C)CONC(=O)Nc1scc(C(C)(C)C)c1C#N 888226207 UQLNNAMSBGPMLC-UHFFFAOYSA-N 293.392 3.546 30 20 CHED N#CCN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ccccn1 892477334 RWWARGMTEFQURE-ARFHVFGLSA-N 297.402 3.545 30 20 CHED Cn1ncnc1/C=C/C(=O)c1ccc(C2CCCCC2)cc1 899335643 GUKQUFJNUAQMHM-VAWYXSNFSA-N 295.386 3.759 30 20 CHED CCc1onc(C)c1/C=C1/C(=O)c2ccccc2[C@@H]1C 899375320 WWBNLYRYJQWKEA-RSYJBZMQSA-N 267.328 3.929 30 20 CHED C=CCC1(O)CCN(C(=O)CCC2CCCCCC2)CC1 899595252 NDWUODZLSLCVBL-UHFFFAOYSA-N 293.451 3.667 30 20 CHED C=CCCC[C@H](NCc1c(Cl)cccc1CC)C(=O)O 900069445 ZLYVSEHRMXLQFB-HNNXBMFYSA-N 295.810 3.802 30 20 CHED CCCNc1ccc(C#N)cc1NCc1cnc(CC)o1 901413611 YAWFMHLSGWQAGJ-UHFFFAOYSA-N 284.363 3.543 30 20 CHED CCO[C@@H]1CCC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1 902826605 GFJCVJVZSHFOAG-IAOVAPTHSA-N 272.392 3.557 30 20 CHED C=CCOc1ccccc1CN[C@@H](c1ccccn1)C1CC1 903092176 IMOJJHJEWJKFAR-LJQANCHMSA-N 294.398 3.887 30 20 CHED Cc1ccc(C#N)cc1-c1ccc(CN(C)C)s1 904864854 OJRXFDGFXUYHGO-UHFFFAOYSA-N 256.374 3.657 30 20 CHED CC(=O)CC(C)(C)CC(=O)OCCCCC1(C#N)CCC1 909221141 RRSFVMISUFRSGN-UHFFFAOYSA-N 293.407 3.789 30 20 CHED N#CCCCCOC(=O)Cc1cccc2ccccc12 912957560 HUDMYOKEMKLFHT-UHFFFAOYSA-N 267.328 3.619 30 20 CHED CSc1ccc(C(C)=NNc2cc(C)nc(C)n2)cc1 915970865 QHDIYBZMZMCIDK-UHFFFAOYSA-N 286.404 3.651 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc(F)cc1F)O2 915988747 FNLCTOSLXDDAIQ-LHHJGKSTSA-N 288.249 3.595 30 20 CHED CCCn1cccc1C=NNc1nc2ccccc2s1 918151405 RYYIQWPVOQAGNX-UHFFFAOYSA-N 284.388 3.954 30 20 CHED CCCCCCCCC(=O)NCc1cccc2c1OCO2 918390503 SPUOGUJAGZSYKD-UHFFFAOYSA-N 291.391 3.782 30 20 CHED CCCC[C@@H](CC)C(=O)OCCOc1ccc(C#N)cc1 919223839 TYQCAEMSIIWNTM-OAHLLOKOSA-N 289.375 3.697 30 20 CHED C=C(Br)COC(=O)C[C@H]1CCCC[C@@H]1C 920724945 JBXOKGITYJPZKZ-GXSJLCMTSA-N 275.186 3.655 30 20 CHED COc1ccc2ccccc2c1CCN[C@H]1CC[C@@H](C#N)C1 926912245 RWGMXVJEWGVTCK-ZBFHGGJFSA-N 294.398 3.673 30 20 CHED Cc1ccccc1C1(C(=O)N2CCC[C@@H](C#N)C2)CCCC1 928214982 GRRZJESMODAFLE-INIZCTEOSA-N 296.414 3.569 30 20 CHED C#CCCCCc1nnc(COc2cc(C)cc(C)c2)o1 1117172155 KDHSATVUBHNFIX-UHFFFAOYSA-N 284.359 3.611 30 20 CHED C=CCn1c([C@H](C)OC(C)(C)C)nnc1N(C)CCCC 1121682354 QBRPLYPJLPXOAA-ZDUSSCGKSA-N 294.443 3.577 30 20 CHED N#Cc1nc(Oc2ccc(F)cc2F)sc1Cl 1184563756 JYEZQRIUWGZTHH-UHFFFAOYSA-N 272.663 3.739 30 20 CHED C[C@@H]1[C@@H](CNCc2ccc(C#N)cc2F)CCC[C@H]1C 1202202518 DHQSKHWLRJTKBL-VNHYZAJKSA-N 274.383 3.859 30 20 CHED C=C(C)CN(CC)Cc1ccc(N2CCCC2)cc1 1204322643 UPJMWJOSVHRJGM-UHFFFAOYSA-N 258.409 3.685 30 20 CHED C=CCn1c([C@H](C)OC(C)(C)C)nnc1N(CC)C(C)C 1262976239 CEFKMNZHWGLASU-ZDUSSCGKSA-N 294.443 3.575 30 20 CHED COc1cc(C#N)ccc1OC[C@H]1CCCC[C@@H]1C 1307243245 YNYKRZGYAVQQFM-GXTWGEPZSA-N 259.349 3.772 30 20 CHED CC(C)CN(CC(C)C)C(=O)Nc1cc(F)cc(C#N)c1 1311103404 FFYRSTUJXPMIPD-UHFFFAOYSA-N 291.370 3.843 30 20 CHED C=CCC[C@@H](NCc1ccc(NC(=O)C2CC2)cc1)C1CC1 1320010204 ONWGAHBLVVBPIT-GOSISDBHSA-N 298.430 3.870 30 20 CHED C=CCCc1noc(C2(Sc3ccccc3)CC2)n1 1324601945 PFDJRLBQZORFFJ-UHFFFAOYSA-N 272.373 3.970 30 20 CHED N#Cc1ccnc(/C=C/c2cc(Br)cs2)c1 1324932121 AGYCHOQWERCZGX-OWOJBTEDSA-N 291.173 3.948 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2ccc(OCC#N)cc2)C[C@H]1C 1325099365 FNOPLRXLIKHOFB-MCIONIFRSA-N 286.375 3.600 30 20 CHED CCCCCCCCCc1nnc(C(=O)N2CCCC2)o1 1326119922 UBDXGFLTOOMLJU-UHFFFAOYSA-N 293.411 3.599 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](CC)CC(F)(F)F 1337550634 KUCIOSFHBOOVCN-VXGBXAGGSA-N 277.330 3.922 30 20 CHED CC(C)[C@H](C(=O)N(C)[C@@H](C)CC#N)c1cccc(Cl)c1 1339160341 GFCALKUQDYKGBH-WFASDCNBSA-N 292.810 3.840 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2cc(C)ccc2s1 1340892764 NAYBRNOCFIESJO-ZDUSSCGKSA-N 286.400 3.974 30 20 CHED CCc1ccc(C(=O)[C@@H](C#N)c2cccc(F)n2)cc1CC 1342575983 SXVVEFZFXGVOEI-HNNXBMFYSA-N 296.345 3.836 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(OC)c(C#N)c1 1344782297 CWYGLHFGYWCMKG-OAHLLOKOSA-N 299.374 3.529 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCOC3(CCC3)C2)CCCCC1 1354030720 IABSORHOKYGNNG-OAHLLOKOSA-N 291.435 3.731 30 20 CHED Cc1sc(-n2cccc2)c(C(=O)O[C@H](C)CC#N)c1C 1356016512 FHMXNXIWVBLNOC-SNVBAGLBSA-N 288.372 3.615 30 20 CHED CCCCC1CCC(CNC(=O)c2cccc(C#N)n2)CC1 1357476057 CIORHNOGMSCJLQ-UHFFFAOYSA-N 299.418 3.680 30 20 CHED CSc1cccc(N(C)C(=O)c2cc(C#N)ccc2C)c1 1357529123 RCTWJQRTKNZCNY-UHFFFAOYSA-N 296.395 3.865 30 20 CHED Cc1nnc(NCC2(CC(C)C)CCC2)c(C#N)c1C 1472730824 VOUCWNNWAOZQGA-UHFFFAOYSA-N 272.396 3.593 30 20 CHED N#Cc1c(F)cccc1Oc1cc(-c2ccccc2)ncn1 1472734133 RBYWTSMOBYZOKD-UHFFFAOYSA-N 291.285 3.947 30 20 CHED C[C@H]1OCC[C@@H]1CSc1ccc(C#N)cc1Cl 1473005365 LPCSXCBKMBJQBD-MWLCHTKSSA-N 267.781 3.729 30 20 CHED CCC(CC)(CNC(=O)Nc1sccc1C#N)SC 1476828831 FPFWCDGVKRFFHC-UHFFFAOYSA-N 297.449 3.663 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H](C)c2cccc(F)c2)n1 1526860889 VUFLMDIYQZYQIY-NSHDSACASA-N 297.333 3.533 30 20 CHED CC1(C)C[C@@]1(NC(=O)c1ccc(C#N)cc1)c1ccccc1 1533977397 JSJMJPDAQGRXAP-LJQANCHMSA-N 290.366 3.613 30 20 CHED C[C@@H]1SCC[C@H]1Nc1c(Br)cccc1C#N 1559228568 JGCUJXLJAGGQLL-GZMMTYOYSA-N 297.221 3.627 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1CC 1559484192 KIHUAWWAIAXMEC-SJORKVTESA-N 256.393 3.816 30 20 CHED C=CCC1(N[C@@H](C)c2ncc(C(=O)O)s2)CCCCC1 1588768790 GEVHWLBUNJOXRB-NSHDSACASA-N 294.420 3.771 30 20 CHED CCCCCCCNc1cc(C)cc(F)c1-c1nn[nH]n1 1590594887 WJFUWHQBRJHDHX-UHFFFAOYSA-N 291.374 3.697 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1c(C)sc(C)c1C(=O)O 1602837057 DGOSDQGVCIUVJK-JTQLQIEISA-N 296.392 3.539 30 20 CHED COc1cc(CN2C[C@@H](C(C)C)[C@@H]2C(C)C)ccc1C#N 1621334772 WDKRORFVRRYZNI-WMZOPIPTSA-N 286.419 3.679 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2c(F)cccc21 1645200715 XHLDZPARRJPJDS-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CCN(CCOc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1C 1645287172 JLGNCRHPYMKQFH-MAUKXSAKSA-N 286.419 3.838 30 20 CHED CC(C)(CNc1cccc(C#N)n1)C1CCCCC1 1651659404 KDQXKRQSQGVOII-UHFFFAOYSA-N 257.381 3.972 30 20 CHED C=C(Cl)CN(CCN(CC)CC)Cc1ccccc1 1652652605 TYSUOOWNTQLCAW-UHFFFAOYSA-N 280.843 3.583 30 20 CHED CC[C@H]1Cc2ccccc2CN1CC1(CC#N)CC1 1654063480 BACXQPLGSJEMHC-INIZCTEOSA-N 254.377 3.517 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1Cc1cccc(C#N)n1 1658197878 UVTSOXABSZPZHA-CLCXKQKWSA-N 291.398 3.720 30 20 CHED Cc1cccc(C[C@H](C)Nc2cccc(OCC#N)c2)c1 1658800082 WXAWYCGIMCXARE-HNNXBMFYSA-N 280.371 3.941 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(OC)c(C#N)c1 1664152605 GHKBGFGFJDHFFT-RYUDHWBXSA-N 289.379 3.513 30 20 CHED CC(=NNc1ccccc1Cl)c1ccccc1C(=O)O 1776014895 LVWRCVJEFPIPNQ-UHFFFAOYSA-N 288.734 3.874 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CCC[C@H](C)CC1 1776050784 CHVLOQCFNAQAJH-NSHDSACASA-N 290.363 3.762 30 20 CHED CCC[C@H]1CCCC1=NNc1ccc(C(=O)O)c(F)c1 1776075285 YKEOXBDJHAGYAL-JTQLQIEISA-N 278.327 3.892 30 20 CHED N#CCCCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 175863396 QVPQSDPBQSDXLN-CABCVRRESA-N 292.448 3.720 30 20 CHED COc1cc(C#N)ccc1OC(=O)C(C)(C)CC(C)C 177060526 MONQYOKSHITMRT-UHFFFAOYSA-N 275.348 3.545 30 20 CHED Cc1ccccc1SCC(=O)N(CC#N)c1ccccc1 59929713 VEDBLWVLNIIDPJ-UHFFFAOYSA-N 296.395 3.644 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc2c(c1)OCCO2 63994289 RJFBENCJAIVALS-UHFFFAOYSA-N 295.382 3.646 30 20 CHED C[C@@H](NCCSCc1ccccc1C#N)c1ccoc1 177823721 HBVNWSYGAVWLRE-CYBMUJFWSA-N 286.400 3.735 30 20 CHED CCn1c(-c2ccc(OC)c(C#N)c2)nc2ccccc21 173743976 VBTDVPSGNLWEPW-UHFFFAOYSA-N 277.327 3.603 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)cc2)C1 116814621 IXULIWUVTJSOMB-NHYWBVRUSA-N 276.767 3.542 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1cc2ccccc2o1 175126012 AGQIEIBBLJVLGK-LBPRGKRZSA-N 257.333 3.966 30 20 CHED CC(C)c1noc([C@@H](C)Sc2ccccc2C#N)n1 172682225 DAZHJJZFPANMSI-SNVBAGLBSA-N 273.361 3.918 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 65749502 AQOXFSAJVVJJNZ-UHFFFAOYSA-N 293.366 3.992 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/Cc2ccc(O)cc2)cc1 303774819 GENUHURICBDYPN-CYBMUJFWSA-N 297.402 3.833 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 69329691 TVLIJJADHVVHCN-CHWSQXEVSA-N 287.359 3.591 30 20 CHED CC[C@@H](C#N)NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 171005503 CJOMZJOFQFBNFH-FROQITRMSA-N 296.292 3.527 30 20 CHED CCC1(CC)CCN(c2c(C#N)cccc2C#N)CC1 302900501 SRJJPTXJINJWFP-UHFFFAOYSA-N 267.376 3.837 30 20 CHED COCCOc1ccc(/C=C/C(=O)c2ccsc2)cc1 171686762 PXZVSAXASMLVFX-QPJJXVBHSA-N 288.368 3.669 30 20 CHED Cc1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1 111681914 BGHVPNCRFANDMU-HJWRWDBZSA-N 267.284 3.799 30 20 CHED CC(C)n1ccc(CSCc2ccc(F)cc2C#N)n1 172039420 BNICWNPDLCDZPU-UHFFFAOYSA-N 289.379 3.908 30 20 CHED N#CCC[C@@H](C#N)COc1ccc(Cl)c2cccnc12 119286596 NYJDZSKHDYXRTI-NSHDSACASA-N 285.734 3.711 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/Cc2cccnc2)cc1 303709305 NTFSFVKLYPLITQ-CYBMUJFWSA-N 282.391 3.522 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cc(OC)c(C#N)cc1F 1438030159 JADICLBKAKBRJG-SNVBAGLBSA-N 292.354 3.717 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccc2c(c1)oc1ccccc12 176377118 HWGPCGIRDOVZCA-LLVKDONJSA-N 293.326 3.867 30 20 CHED CCN(Cc1nnc(C(C)C)o1)[C@@H](C)c1ccc(C#N)cc1 171145693 VOYFWEWDJGBGAO-ZDUSSCGKSA-N 298.390 3.648 30 20 CHED CCN(Cc1ccc(OC)cc1)CC(C)(C)CCC#N 179328162 SONSHEYRUXVOLL-UHFFFAOYSA-N 274.408 3.847 30 20 CHED CCCCC[C@H](Nc1ccc(C#N)nn1)C(C)(C)C 302011253 WMAXXLZQAOSRIG-ZDUSSCGKSA-N 260.385 3.755 30 20 CHED COc1cc(C#N)ccc1NCc1ccccc1Cl 127979151 KHRKUHAFKIPYJE-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H]2CCC[C@@H](C)C2)cc1 303906203 ZUEQVJSIWKXYTR-ZIAGYGMSSA-N 259.397 3.548 30 20 CHED CCC[C@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 301618890 LJXXGQCPCFVMHK-NSHDSACASA-N 263.772 3.623 30 20 CHED C#CCN(Cc1cccnc1C)[C@H]1CCc2ccccc21 127535757 TXLHAKIVGMXEOX-IBGZPJMESA-N 276.383 3.513 30 20 CHED C[C@H](CCC#N)Sc1nnc(CCC2CCCC2)[nH]1 188288370 FPANUSQMWOQVDX-LLVKDONJSA-N 278.425 3.712 30 20 CHED C=CCN(C(=O)c1ccc(Cl)cn1)c1ccccc1 128933585 OQNDKUPZFCOFGK-UHFFFAOYSA-N 272.735 3.568 30 20 CHED CC[C@H](CC#N)NC(=O)c1oc2c(C)ccc(C)c2c1C 183842417 DRVOHDRSSVQXQN-CYBMUJFWSA-N 284.359 3.780 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CCC[C@H](C)C1 121646119 KSEDDWQDRNHRBM-UONOGXRCSA-N 264.413 3.791 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCOc1ccccc1 189341058 WTNYLWARTRRALT-HNNXBMFYSA-N 280.371 3.630 30 20 CHED C=CC1CCN(C(=O)c2ccc(C(C)C)s2)CC1 185943000 FDTHYFVOQCLQEL-UHFFFAOYSA-N 263.406 3.910 30 20 CHED CC(C)CCCS(=O)(=O)CCC1(C#N)CCCCC1 414217823 CVRVSILJVCPNGX-UHFFFAOYSA-N 285.453 3.702 30 20 CHED C=CCCO[C@@H](C)C(=O)NC1(c2ccccc2)CCCC1 70955623 LUUFDKCSWHNGHY-HNNXBMFYSA-N 287.403 3.553 30 20 CHED CC[C@H](C#N)NC(=O)c1ccc(-c2ccc(F)cc2)s1 120117820 JJGQNMKPUGTNNW-GFCCVEGCSA-N 288.347 3.586 30 20 CHED C=CCn1nnnc1S[C@H](C)c1ccc(F)c(Cl)c1 505895026 SYJXUXGIXXIBGN-MRVPVSSYSA-N 298.774 3.505 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc(F)c(Cl)c2)cn1 121129887 YYASYFXXKJFVCL-GQCTYLIASA-N 278.714 3.592 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)C2(C#N)CC(C)C2)c1 124174737 WWTMMRBQPCIUDR-UIORMTCPSA-N 286.375 3.742 30 20 CHED CC[C@@H](C#N)OC(=O)c1coc2cc(C)c(C)cc12 187529213 QGYULQGOFJKUBD-NSHDSACASA-N 257.289 3.509 30 20 CHED Cc1c(Cl)cnn1CCC1(C#N)CCCCC1 418934580 KMJLFOREHHUPAK-UHFFFAOYSA-N 251.761 3.709 30 20 CHED C#CCSCCN[C@H](C)c1sc(C(C)C)nc1C 181097015 FCBOXEDOZJQEDQ-LLVKDONJSA-N 282.478 3.592 30 20 CHED CCOc1cccc2cc([C@@H](C)N[C@@H](C#N)CC)oc12 122199889 RAOWJPMJHXLKNK-DGCLKSJQSA-N 272.348 3.784 30 20 CHED CN(Cc1csc2ccccc12)C[C@H](C#N)CCC#N 76494812 IUTGKYUYSPXRIC-ZDUSSCGKSA-N 283.400 3.777 30 20 CHED CCCc1cnc(NC(=O)C2(C#N)CCCCC2)s1 180256270 FMAKZFXMQBDZNQ-UHFFFAOYSA-N 277.393 3.508 30 20 CHED CC(C)CCCSCC(=O)N(CC#N)c1ccccc1 180127335 XDXRBTZKVXHJBD-UHFFFAOYSA-N 290.432 3.713 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)CCC1CCCCC1 416014131 DPZXLRYPFXVVBH-UHFFFAOYSA-N 282.387 3.808 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)c1cccc(F)c1 121689935 ADDKHOPDACMYIE-CYBMUJFWSA-N 290.382 3.908 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC(=O)c3ccccc32)CCCCC1 416195413 UZYADYXEHPGOHX-MRXNPFEDSA-N 297.398 3.957 30 20 CHED N#CC1(C(=O)NCCC2=CCCCCC2)CCCCC1 186019562 RPODMJHJEKERJK-UHFFFAOYSA-N 274.408 3.857 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cc(C#N)cs1 181124896 LRGPQCJWHBBHRV-LLVKDONJSA-N 283.356 3.523 30 20 CHED COc1ccc(OC(F)F)c(N[C@H]2CCC[C@H](C#N)C2)c1 185738415 QHYIOPWUPKSLET-QWRGUYRKSA-N 296.317 3.791 30 20 CHED Cc1ncccc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187284034 SEPJARKOYNLHEK-UHFFFAOYSA-N 299.418 3.619 30 20 CHED COCCSc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 411465233 OHBONLHQTRPEMW-KBPBESRZSA-N 292.448 3.768 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(C(C)C)s1 410838807 YMPQOAJZHAXJFN-NSHDSACASA-N 264.394 3.636 30 20 CHED Cc1ncsc1/C=C1\CCc2ccccc2C1=O 78691992 AQTVOYAEZWKYBE-XYOKQWHBSA-N 255.342 3.664 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2sccc2C#N)C1 130896167 QIQJPEMFTTUXMY-MNOVXSKESA-N 262.378 3.775 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1nccc2ccccc12 414171856 VMJDPESGKALJIO-CYBMUJFWSA-N 267.376 3.825 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 185970180 VSYXLBHPUABIMV-BQFCYCMXSA-N 284.403 3.830 30 20 CHED Cc1ccc(C#N)cc1OCc1cccc2cccnc12 229947416 OMJOZPPJBBLYDH-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C[C@@H](CCC#N)N1CCC(c2c(F)cccc2F)CC1 411558083 DWINWHNDTASCKY-LBPRGKRZSA-N 278.346 3.836 30 20 CHED C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc(C#N)n(C)c1 191226827 KNPYTXVJJYFLHF-LBPRGKRZSA-N 287.794 3.743 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2ccc3sccc3c2)C1 612238734 SVDGCXCZTROVLA-MRXNPFEDSA-N 284.384 3.667 30 20 CHED CC1(C)CCC(/N=C(/O)[C@H]2CCC(=O)c3cccn32)CC1 329883122 QTAVNPWSGWOXPU-CQSZACIVSA-N 288.391 3.931 30 20 CHED C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](C)S1 135256019 QQJLMKRDCKNVCP-KBPBESRZSA-N 288.460 3.814 30 20 CHED C=CCOCCCC(=O)N[C@@H](c1ccccc1)C1CCC1 80034579 HSHPNYKFMGGXIW-SFHVURJKSA-N 287.403 3.627 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1 191571666 BXSVNCSJYVOAEC-SRVKXCTJSA-N 265.401 3.618 30 20 CHED C[C@H](NCCCN(C)c1ccccc1)c1cccc(C#N)c1 192914366 PZHXNZLJGSDWGF-INIZCTEOSA-N 293.414 3.735 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1Nc1ccc(C#N)cn1 80231396 KVNNGZRRSLMAIY-PIGZYNQJSA-N 281.334 3.828 30 20 CHED CCC(C#N)(CC)C(=O)NCc1ccc2sccc2c1 529401940 NXMIMHDHJHMUOU-UHFFFAOYSA-N 286.400 3.847 30 20 CHED CCCCCCCCC(=O)O[C@@H](C)c1nnc(C)o1 195351321 MIYBHRXZIHLVGD-NSHDSACASA-N 268.357 3.733 30 20 CHED CCCSCC(=O)N(CC(C)C)c1ccc(C#N)cc1 515647507 LKRQAUUZMCSHJK-UHFFFAOYSA-N 290.432 3.690 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425635715 IYXRSKFVIPKMNQ-CYBMUJFWSA-N 270.376 3.680 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)nc2Cl)c(F)c1 193093063 RZPLODXHIACLKL-UHFFFAOYSA-N 297.116 3.978 30 20 CHED CN(Cc1ccc(Br)o1)CC(C)(C)CCC#N 130712974 DJWOJSXTNDEZSX-UHFFFAOYSA-N 299.212 3.804 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCCOc2cc(F)ccc21 424778438 FHKICRYAAPCNLC-AWEZNQCLSA-N 291.366 3.758 30 20 CHED Cc1nc(COc2c(C)cc(C#N)cc2C)cs1 88154172 BXPWUFNVLMODJC-UHFFFAOYSA-N 258.346 3.519 30 20 CHED CCN(Cc1ccc(OC)c(C#N)c1)Cc1cccs1 87833236 PNYSPGOTECFXPC-UHFFFAOYSA-N 286.400 3.650 30 20 CHED O=C(CCC1CCCCC1)NCC#Cc1cccc(F)c1 513217934 FXUIOCRIRPPONJ-UHFFFAOYSA-N 287.378 3.654 30 20 CHED C[C@H](CC(=O)NCc1ccc(C#N)cc1)c1ccccc1F 338855733 GGPQHPYSRYCCMO-CYBMUJFWSA-N 296.345 3.507 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)CCC1 421962391 LWAFRNWZWAXPFZ-LBPRGKRZSA-N 289.341 3.924 30 20 CHED CC1(C)CCC(CC(=O)N2CCC(CC#N)CC2)CC1 336629402 QIAVHVCDAUATGI-UHFFFAOYSA-N 276.424 3.745 30 20 CHED N#CC1(CCCN2CCC3(CCCC3)CC2)CCOCC1 337167730 CQZBLNYWZPBJLM-UHFFFAOYSA-N 290.451 3.743 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1OCC(C)C 429815524 SIPLLFHFZAVSII-UHFFFAOYSA-N 289.419 3.940 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2ccsc2)c1 96766884 ZAWRIUPSRRJQTC-WAYWQWQTSA-N 271.341 3.603 30 20 CHED N#C[C@@H]1CC[C@H](NCc2nc(-c3ccccc3)cs2)C1 424203038 UHCWNXZFWTZXFV-OCCSQVGLSA-N 283.400 3.592 30 20 CHED N#Cc1ccnc(SC[C@H]2CCCCC2(F)F)c1 295676382 GNJYZLHEPHCMTP-LLVKDONJSA-N 268.332 3.871 30 20 CHED CCc1ccc([C@@H]2CCN(c3cnccc3C#N)C2)cc1 431509691 WJEFMLSUEOPHSO-QGZVFWFLSA-N 277.371 3.510 30 20 CHED CC(C)Oc1ccc([C@@H](C)Nc2ccc(C#N)nc2)cc1 338655762 JBYLVPABRRZDLN-CYBMUJFWSA-N 281.359 3.914 30 20 CHED COc1cc(N/C(O)=N/[C@@H]2CCC[C@H](C)C2)cc(OC)c1 330393314 HZBJYIQCTUHMJF-NWDGAFQWSA-N 292.379 3.608 30 20 CHED CCCCc1ccc(C(=O)/C=C\c2cnn(C)c2)cc1 96939802 ZDRXGQHNEHVOBY-FLIBITNWSA-N 268.360 3.659 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1=CCCCC1 527107221 PLXZOTRTJVGZKW-MSOLQXFVSA-N 294.398 3.785 30 20 CHED CCN(Cc1cccc(F)c1)c1ccc(C#N)cc1F 524620702 BJXFLYGERCMNTM-UHFFFAOYSA-N 272.298 3.863 30 20 CHED C=CCN(CC=C)C(=O)CCC(=O)c1cc(C)sc1C 98067319 OSPCCWAVIQCVSU-UHFFFAOYSA-N 291.416 3.528 30 20 CHED N#CCCCNC(=O)N[C@@H](CC1CCCC1)c1ccccc1 344001831 WTDNWQKNXRCLEB-KRWDZBQOSA-N 299.418 3.911 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NCc2ccc(O[C@H](C)C#N)cc2)C1 246198360 NHABIDOMMALLGC-DLTWYDFYSA-N 286.419 3.892 30 20 CHED CN(Cc1cc(F)cc(F)c1)c1nccc(C#N)c1Cl 343220713 ZKIWDAWQDGBFHN-UHFFFAOYSA-N 293.704 3.521 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccccc1CC 432750519 LTBKXDAWCXZZJB-UHFFFAOYSA-N 260.381 3.973 30 20 CHED C=C(C)CCNc1ccc(C(=O)N[C@H](C)CC)cc1C 520884353 VAMHAQUNLYEAES-CQSZACIVSA-N 274.408 3.901 30 20 CHED CCc1ccc(CCN(CC#N)C2CCCC2)cc1 524595067 APOFHBDZKRCSDS-UHFFFAOYSA-N 256.393 3.560 30 20 CHED C=CCOc1ccccc1CNC(=O)C1C(C)(C)C1(C)C 346917828 NKBKRQLGUSUDDX-UHFFFAOYSA-N 287.403 3.550 30 20 CHED CCc1ccccc1N[C@@H](C)CC1(C#N)CCOCC1 602491613 BRISXKFJEZQQMA-AWEZNQCLSA-N 272.392 3.760 30 20 CHED C=CCNC(=O)CSCCCc1cccc2ccccc12 609904009 SKLWFZXBMPTGGY-UHFFFAOYSA-N 299.439 3.808 30 20 CHED C[C@@H](CC1CCOCC1)N[C@@H]1CCCc2cc(C#N)ccc21 341663368 ZUJHYGRYUZJWFX-IFXJQAMLSA-N 298.430 3.730 30 20 CHED N#CCc1ccc(C(=O)Nc2nc3ccsc3s2)cc1 340180757 LBRSFCRIKCOXJE-UHFFFAOYSA-N 299.380 3.676 30 20 CHED CC(C)Nc1cccc(-c2cn([C@@H]3CC[C@H](C#N)C3)nn2)c1 600973400 OHADRSKRXCHBHU-XJKSGUPXSA-N 295.390 3.630 30 20 CHED C=CCCCN1CCC[C@H]1CC(=O)c1cccs1 344399326 JLNVKPSOGFKMGS-ZDUSSCGKSA-N 263.406 3.752 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(Oc2cccnc2)cc1 343951451 YSKSZHGNTBAQIK-AWEZNQCLSA-N 293.370 3.828 30 20 CHED CC(C)Cn1ncc(NC[C@@H](C)CCC#N)c1C1CC1 602663007 RDWCFHXALYORIO-ZDUSSCGKSA-N 274.412 3.768 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C)nc3onc(C)c23)n1 340764225 BDXAMPSAHYPRFO-UHFFFAOYSA-N 298.346 3.743 30 20 CHED Cc1ccc(F)c(CN(C)Cc2cc(F)ccc2C#N)c1 444737175 AWLYOKBIIOWSJC-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=CC(C)(C)CN[C@@H]1CCC[C@H](c2cccnc2)C1 449484298 GBILMROVUHZLPW-GOEBONIOSA-N 258.409 3.910 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 601686655 YLISRBQAEVUIEV-HZPDHXFCSA-N 284.403 3.769 30 20 CHED C=C(CC)CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 359877845 RDTMLNDZJBANON-LBPRGKRZSA-N 287.329 3.505 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1cccc(C(F)(F)F)c1 255670557 VSCQUPLZAXDAKB-SREVYHEPSA-N 294.276 3.643 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCSc2ccccc21 351683223 BLNOAPMVJJIMIR-AWEZNQCLSA-N 290.432 3.879 30 20 CHED CC1(C)CCCN(CCSc2ccc(F)cc2)[C@@H]1C#N 444720324 CFESEOWAWDRGGQ-OAHLLOKOSA-N 292.423 3.932 30 20 CHED C[C@@H](CN(C)C(=O)c1sccc1C#N)C1CCCCC1 530039862 MJJVSFSABKOSHT-LBPRGKRZSA-N 290.432 3.908 30 20 CHED CC(C)Cc1ccc(CC(=O)N(CC#N)C2CCCC2)cc1 609976978 WLUXJERGJXKPIY-UHFFFAOYSA-N 298.430 3.722 30 20 CHED C#C[C@@H](/N=C(\N)Nc1ccc([C@H](C)CC)cc1)C(C)C 262244806 YLODJVCDYRIQHW-CZUORRHYSA-N 271.408 3.585 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N(CCC#N)CC1CC1 358048973 NGMWQALVDVGKTB-CQSZACIVSA-N 276.424 3.745 30 20 CHED C=CCCO[C@@H](C)c1nc(C2(CC)CCCC2)no1 445779467 CXYIKYYBIGHMNL-LBPRGKRZSA-N 264.369 3.945 30 20 CHED C=CC[C@@H](C)NC(=O)c1cccn1[C@H](C)Cc1ccccc1 539118908 JXRLBDTTYMCSEO-HZPDHXFCSA-N 296.414 3.986 30 20 CHED C=CCC[C@H](NC(=O)c1conc1CC)c1ccccc1 612709148 XEJVJNWATWGVKL-INIZCTEOSA-N 284.359 3.674 30 20 CHED C=C(CC)CSCC(=O)N[C@H](C)Cc1ccccc1C 536881888 NXSNEMIQQSEXDM-OAHLLOKOSA-N 291.460 3.742 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc(C)cc(F)c1 352591299 RKUSENZFOSQEMR-UHFFFAOYSA-N 287.334 3.598 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1Cl)c1cccc(C#N)c1 615229096 HPGJVBXNHFUKGM-GFCCVEGCSA-N 295.773 3.934 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)c1ccc(Cl)c(F)c1 441407228 SUXUBVAURBYHAA-LLVKDONJSA-N 299.773 3.813 30 20 CHED CC(C)CCSCC(=O)N[C@H](C)c1cccc(C#N)c1 610365005 ZMTVNIUAXKTSER-CYBMUJFWSA-N 290.432 3.515 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3ccccc3C2)C1 617777150 IZQAIYLSLWXBFN-CRAIPNDOSA-N 283.415 3.606 30 20 CHED CC[C@H](N[C@H](CO)CCC(C)(C)C)c1ccc(C#N)cc1 359088184 XOKSKOUMIOOFBG-IRXDYDNUSA-N 288.435 3.786 30 20 CHED C[C@H](C#N)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 530577678 NCJOUSSDSKNFKV-SECBINFHSA-N 299.201 3.547 30 20 CHED CCOc1ccc(N=Cc2cccc(OC)c2O)cc1 263622238 PXCSZAGGZYACSN-UHFFFAOYSA-N 271.316 3.550 30 20 CHED C=CCC1(NC(=O)c2cnn(CCCC)c2C)CCCC1 619107597 GKEVYLKJKMTYHI-UHFFFAOYSA-N 289.423 3.610 30 20 CHED C=CCC1(CNc2ccccc2S(C)(=O)=O)CCCC1 450840724 AADJYCANLHSFMO-UHFFFAOYSA-N 293.432 3.639 30 20 CHED COc1cc2ccccc2cc1C(=O)N[C@H](C#N)CC(C)C 611249660 LKZILNUPGCGNNR-HNNXBMFYSA-N 296.370 3.516 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CC(C)(c2ccccc2)C1 459525155 GSQHHAGQANUVBE-WEOZKBJRSA-N 285.431 3.678 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cccc(F)c1 453332391 CDICDIDUJDIIEA-OAGGEKHMSA-N 263.356 3.600 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H](C#N)C1)CC2 613254399 ISIAEJXGKYHYHT-UKPHBRMFSA-N 254.377 3.654 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 455371883 TWIYTLXTDUSDTD-UKRRQHHQSA-N 272.392 3.601 30 20 CHED C[C@H](CNCC(C)(C)CC#N)c1cc(F)cc(F)c1 459739018 YQESNNZOWHOQBV-LLVKDONJSA-N 266.335 3.598 30 20 CHED C=CCCC1(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)CC1 456355820 XCVMVXJCOZYFOI-HUUCEWRRSA-N 263.425 3.872 30 20 CHED Cc1ccc(-c2nc(CN[C@@H]3CCC[C@H](C#N)C3)co2)cc1 278904552 ZSGOMAVHZFUOPB-GOEBONIOSA-N 295.386 3.822 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 276842207 CDUUNFKZPZSEBR-VOAKCMCISA-N 264.417 3.570 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H](C)Cc1cccc(F)c1 458991951 UVWKLSSOAGWIHT-ZDUSSCGKSA-N 292.398 3.610 30 20 CHED N#CCCCNCc1ccc(-c2ccc(Cl)cc2)o1 542482118 DRJNPMVMLGSKQG-UHFFFAOYSA-N 274.751 3.993 30 20 CHED C=C(CC)CNC(=O)N1CCC(c2ccsc2)CC1 455527646 VNAQAGNSSIIVGG-UHFFFAOYSA-N 278.421 3.603 30 20 CHED CSC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCC1 279108226 OYINYAAYPXLAAA-LLVKDONJSA-N 278.396 3.634 30 20 CHED CC1(C#N)CCN(c2ncnc3c2oc2ccccc23)CC1 272413877 CSYHRMFYVDTGFQ-UHFFFAOYSA-N 292.342 3.506 30 20 CHED CC[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)s1 273521720 QRGMVWSQLQPONG-GHMZBOCLSA-N 281.812 3.886 30 20 CHED C=CC[C@H](CC)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 545271819 KMYRWSRXGSQKEC-WDSOQIARSA-N 286.463 3.841 30 20 CHED C=CCC1(NC(=O)c2ccc(O)cc2F)CCCCC1 456365261 KWAFPSMXOAKJMU-UHFFFAOYSA-N 277.339 3.540 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(Cl)c(C#N)c2)C1 542512875 MGZDPSBPKPVLLB-BXUZGUMPSA-N 290.794 3.862 30 20 CHED C=CCCC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 360187821 MYFWRECADPLTOR-CYBMUJFWSA-N 284.359 3.500 30 20 CHED C=C(C)CCN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 277109890 VLCRSUGWGSNWIJ-LSDHHAIUSA-N 265.784 3.726 30 20 CHED N#CC1(c2nc(-c3ccc4cc[nH]c4c3)no2)CCCC1 273884033 HGUISAKMSJIEIH-UHFFFAOYSA-N 278.315 3.553 30 20 CHED C=CCC[C@H](N[C@H]1C[C@H]1Cc1ccccc1)C1CC1 540185259 HXINWPOLXRXOOX-SQNIBIBYSA-N 255.405 3.952 30 20 CHED C[C@H](C(=O)NCC(C)(C)CC#N)c1ccc(Cl)s1 457994041 NIOAAYNETJXEIC-VIFPVBQESA-N 284.812 3.561 30 20 CHED C#CC[C@H](NCc1cc(OC)cc(OC)c1)c1ccccc1 270228276 QLTCRVPTRQUPKQ-IBGZPJMESA-N 295.382 3.558 30 20 CHED C=C(C)[C@@H](NCc1nnc(C)s1)c1ccc(F)c(F)c1 274840043 CNUQOBRXLUEFNS-CQSZACIVSA-N 295.358 3.532 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(c2)CCCC3=O)CC1 452314170 PVDSTHKRKKCLDN-UHFFFAOYSA-N 283.371 3.891 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)NCCCC#N)cc1 273239254 MXPXLAJZTSFATH-INIZCTEOSA-N 285.391 3.535 30 20 CHED CC[C@@H](C)Oc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 274004556 YNLUFMGQJKBBSK-GFCCVEGCSA-N 297.358 3.859 30 20 CHED C=CC(C)(C)CN[C@@H](Cc1ccccn1)c1cccnc1 453311711 SRQWADXAFGEBAN-KRWDZBQOSA-N 281.403 3.562 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)CCCCC1 450053457 RBPWYQQFKZJGEE-HZPDHXFCSA-N 292.467 3.502 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)CCSCC 540486763 GHILXRBBQUCYAD-STQMWFEESA-N 272.458 3.562 30 20 CHED C=CC[C@H](C)NC(=O)c1sc(C)cc1Br 457576478 PALSWODOGATJHH-ZETCQYMHSA-N 288.210 3.513 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1CCCCC1(F)F 620856379 VVESPVYKLFCDMH-NSHDSACASA-N 259.340 3.673 30 20 CHED COc1ccc(CCSCCC(C)(C)C#N)cc1 276607360 LBSHFBXLXWYLOY-UHFFFAOYSA-N 263.406 3.911 30 20 CHED C=CCN(C(=O)Nc1ccccc1SC)C1CC1 271373232 NJISTMWVTBEZDN-UHFFFAOYSA-N 262.378 3.591 30 20 CHED C=CCN(C(=O)c1c(Cl)cccc1Cl)C1CC1 273321285 WTTCCVUMGAHHDY-UHFFFAOYSA-N 270.159 3.784 30 20 CHED C#CC[C@@H](NC(=O)Nc1sc(C)nc1C)c1ccccc1 270189413 CUTVZHSMKVCZFV-CQSZACIVSA-N 299.399 3.646 30 20 CHED C=CCCC[C@H](C)N[C@H]1CCN(C(C)=O)c2ccccc21 621755879 CUIOZHVFVWXKPZ-YOEHRIQHSA-N 286.419 3.819 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(OCc2cccs2)c1 465105195 WXUVWTQTGTURFQ-GFCCVEGCSA-N 287.384 3.631 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2coc3ccccc23)no1 289097087 OHYHRSIRBANZPZ-KRWDZBQOSA-N 298.342 3.963 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(Cl)c1F 466367181 QOGUUEDYDJPAGC-SECBINFHSA-N 270.735 3.955 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cnc2ccc(Cl)cc2c1 289578711 HNVCZFMQFUKBMO-OAHLLOKOSA-N 288.734 3.733 30 20 CHED C=CCCC(C)(C)NC(=O)CNc1cccc(Cl)c1 620861131 BZFXADQLAIGHAE-UHFFFAOYSA-N 280.799 3.613 30 20 CHED CCCCCN(CCCOC)c1nccc(C#N)c1Cl 557645266 CUERGZKPSFAPOX-UHFFFAOYSA-N 295.814 3.640 30 20 CHED C[C@@H]1CCC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 558493277 MVXFZUVGKWJPLY-VMGRFDJRSA-N 254.377 3.714 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(C3CC3)no2)CCCC1(C)C 282883168 ZJCFDDWDQPORPN-HNNXBMFYSA-N 288.391 3.759 30 20 CHED Cc1ccc(-c2csc(CN(C)C[C@H](C)C#N)n2)cc1 286174238 YXAQGHJACHBPON-CYBMUJFWSA-N 285.416 3.710 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(C(C)(C)C)n1 280736208 WJZJBNIPPKMDIY-TZMCWYRMSA-N 294.464 3.511 30 20 CHED CCc1nn(C)cc1N[C@@H]1CCCCc2cc(C#N)ccc21 467415052 CLMNBVRPHLAVOP-QGZVFWFLSA-N 294.402 3.734 30 20 CHED C=CC[C@H](CC)NC(=O)c1sccc1C(C)C 466534708 SEXNETIYKMGBIK-NSHDSACASA-N 251.395 3.956 30 20 CHED C=CCOCCCC(=O)NCc1ccc(C(C)(C)C)cc1 463314458 MJZZBYMYNHPGEY-UHFFFAOYSA-N 289.419 3.583 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C#N)cc1 466971040 LHGYIGHTCOEBDY-GOEBONIOSA-N 285.391 3.991 30 20 CHED CC#CCCCC(=O)NCCc1ccc(Cl)c(C)c1 462475585 OZEFBXSTCGYHCG-UHFFFAOYSA-N 277.795 3.501 30 20 CHED N#CC1(NC(=O)c2cc(F)c3ccccc3c2)CCCCC1 555657990 XNDHVGNYXFFRST-UHFFFAOYSA-N 296.345 3.935 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC=CC[C@H]1C 551161115 KBRWORSVRQTYCZ-GDBMZVCRSA-N 287.378 3.943 30 20 CHED Cc1sc(Nc2ccc(C#N)cc2)nc1C1CCOCC1 295356532 OEZDRPNTTKZSRZ-UHFFFAOYSA-N 299.399 3.961 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)cc1)C1CC1 298354059 GKLCHPFMIYSOAS-AWEZNQCLSA-N 290.366 3.924 30 20 CHED N#CCCN(CCCc1ccc(Cl)cc1)CC1CC1 471190151 CZSJQZMUKHHHDA-UHFFFAOYSA-N 276.811 3.898 30 20 CHED Cc1c(C(=O)NC(C)(C)C2CC2)sc2ccc(C#N)cc12 551054213 XJHYCVHGULJYDE-UHFFFAOYSA-N 298.411 4.000 30 20 CHED C#C[C@H](NC(=O)CCCc1ccc(Cl)cc1)C(C)(C)C 807881645 OSZSFGYKFWVWEZ-HNNXBMFYSA-N 291.822 3.827 30 20 CHED C=CCCCCNC(=O)N1C[C@@H](C)CCC[C@@H]1C 472832308 ICQMMFABPMNTRG-KBPBESRZSA-N 252.402 3.563 30 20 CHED C=C(C)CCOC(=O)c1cc(Cl)ncc1Cl 803450243 UFFAVPCOMKJSNX-UHFFFAOYSA-N 260.120 3.511 30 20 CHED Cc1cc(CNc2ccccc2S[C@@H](C)CC#N)on1 290694507 UZLJYSNRYRPWQK-LBPRGKRZSA-N 287.388 3.989 30 20 CHED CO[C@]1(C)CC(=NNc2ccc([N+](=O)[O-])cc2C)C1(C)C 807990217 XXYPLVYBTIDBFA-OAHLLOKOSA-N 291.351 3.506 30 20 CHED C[C@H](C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C 800804099 RNHKLPVTCNQEJB-SECBINFHSA-N 294.311 3.583 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(C)cc1Cl 292909261 WWGKOTCOPDOTNH-UHFFFAOYSA-N 277.755 3.582 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(C2CC2)nc1C 294824233 WLZRIGJJQCMTFK-UHFFFAOYSA-N 291.354 3.700 30 20 CHED N#Cc1ccc(SCC[C@H](O)c2ccccc2)c(F)c1 806582624 UCZPWXDUDLUMKE-HNNXBMFYSA-N 287.359 3.913 30 20 CHED CC1CC(C#N)(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)C1 562743593 XJBAEUHQMIQCIL-LBXLTVQDSA-N 296.414 3.626 30 20 CHED CC[C@H]1CN(C(=O)CCCC#N)c2cccc(Cl)c2O1 291471330 CBIQYTQQKPWDIM-NSHDSACASA-N 292.766 3.538 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc1C 566028890 JAGGJYBUIAYQJM-SFHVURJKSA-N 284.403 3.896 30 20 CHED Cc1nc(Sc2c(F)cc(F)cc2F)ccc1C#N 562330747 GZIWITFAOIMALN-UHFFFAOYSA-N 280.274 3.830 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](c1ccccc1Cl)C(C)C 812046536 LCSOPYKIJQHHKL-WFASDCNBSA-N 292.810 3.700 30 20 CHED CCc1cc(NC(=O)NCc2cccc(C#N)c2)ccc1F 486893342 KHQRMVPNFSXVTQ-UHFFFAOYSA-N 297.333 3.581 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)N[C@@]2(C#N)CC2(C)C)cc1 813303305 MEBGVYKRWALFOT-SCEWNMGZSA-N 296.414 3.806 30 20 CHED CSc1ccc(/C=C\c2ncccc2C#N)cc1 486075562 ITFYQZNSASCKMU-TWGQIWQCSA-N 252.342 3.846 30 20 CHED C[C@@H]1CC(=NN2CCC(C(C)(C)C)CC2)CC[C@@H]1C(=O)O 814914025 ZHGHFYOIWINFFX-DOMZBBRYSA-N 294.439 3.621 30 20 CHED Cc1c(Cl)cnc(N2CC(C3CCCC3)C2)c1C#N 480843335 MCFCDRZWJJVWJM-UHFFFAOYSA-N 275.783 3.542 30 20 CHED O=[N+]([O-])c1cc(NN=C2CC[C@H]2C2CCC2)ccc1F 814905199 RPKIVYKIASOMTK-NSHDSACASA-N 277.299 3.712 30 20 CHED C=CCC(F)(F)C(=O)N[C@@]1(C)CCCc2ccccc21 815229361 FKRMBVCAEZIGGK-HNNXBMFYSA-N 279.330 3.566 30 20 CHED Cc1ccc2c(c1)/C(=C/c1ccc(F)c(C#N)c1)C(=O)N2C 811698220 JKXSPPWSMOMTDX-DHDCSXOGSA-N 292.313 3.523 30 20 CHED C/C(=C\C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 813258885 LKRDIMCPJQZXID-FMIVXFBMSA-N 280.302 3.739 30 20 CHED CCc1nocc1C=NNc1ccc(C(F)(F)F)cc1 814881956 CMJVUNTZNAVYAC-UHFFFAOYSA-N 283.253 3.702 30 20 CHED Fc1ccc(C2CC(=NOC/C=C\Cl)C2)cc1 811669372 OOWXVPOTEKMYQN-JUIIPUMSSA-N 253.704 3.828 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc3ccccc3c2O)C1 816568074 VNZCSHNCNORZAQ-SFHVURJKSA-N 280.371 3.671 30 20 CHED C=CCCCS(=O)(=O)Oc1cc(Cl)ccc1Cl 813642265 BPGGCJJFFUSTHT-UHFFFAOYSA-N 295.187 3.668 30 20 CHED CCOC(=O)c1ccc(NN=C2CCCC2)cc1C 812228521 SYJYATIJKHICHV-UHFFFAOYSA-N 260.337 3.514 30 20 CHED Cc1cccc(F)c1NN=Cc1ncc(Cl)s1 814905541 YJZSMYGKGCDICY-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(Cl)cc1F 815309924 CLEPJEOLBVCBDY-UHFFFAOYSA-N 278.657 3.734 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)CCC1 571332737 YYBDSABFUGDGFA-GDBMZVCRSA-N 269.388 3.952 30 20 CHED C[C@@H]1C(=NNc2ccc(Cl)c(F)c2)CC[C@@H]1CC(=O)O 814862757 QQKBXTZDWKMHOZ-DTWKUNHWSA-N 298.745 3.768 30 20 CHED C#CC[C@@H](OC(=O)c1ccc2cc(C)ccc2n1)C1CC1 815975653 OOSUXNPNVZKSPO-QGZVFWFLSA-N 279.339 3.502 30 20 CHED C[C@@H]1C[C@@H]1[C@H](Nc1ccnc(C#N)n1)c1ccc(Cl)cc1 579374376 QKHHIJJJFYLLFV-AKWBHNSASA-N 298.777 3.811 30 20 CHED Cc1ccc(C)c(CON=Cc2ccccc2F)c1 824118176 UMMLXCDEWIMEAP-UHFFFAOYSA-N 257.308 3.993 30 20 CHED CC1(C)CCC[C@@H](c2noc(-c3ccc(C#N)cn3)n2)C1 570318715 KUXDTXVQPCIWAZ-GFCCVEGCSA-N 282.347 3.687 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C#Cc1cccs1 826942347 IKSYHNGASCJMSP-RHSMWYFYSA-N 295.407 3.504 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@H](c3cccc(F)c3)C2)c1 577131002 CGOJIYWJKNXGQG-HNNXBMFYSA-N 298.336 3.826 30 20 CHED Cc1ccc([C@]2(C)CCN([C@H]3CC[C@H](C#N)C3)C2)cc1 578848013 XAUJRXAZUSRHTP-RYQLBKOJSA-N 268.404 3.651 30 20 CHED C=CCOc1ccccc1-c1nc(-c2ccc(F)cn2)no1 578678986 SRXBMCIWEITMBO-UHFFFAOYSA-N 297.289 3.503 30 20 CHED C=C(C)CCc1noc(-c2cc(C)cc(Cl)n2)n1 904068550 APAJWSIKMWKQHH-UHFFFAOYSA-N 263.728 3.602 30 20 CHED CS[C@H]1CCCC(=NNc2cccc(C#N)c2)C1 901163352 HCQHBJDQWHBASR-AWEZNQCLSA-N 259.378 3.632 30 20 CHED CC[C@@H](NCc1ccccc1N(C)C)c1cccc(C#N)c1 902870804 GYUKSMHNVUVOHX-GOSISDBHSA-N 293.414 3.865 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 736243295 ZFUGSTMQTQQJPR-GFCCVEGCSA-N 295.810 3.620 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1nccnc1C 835018970 ZFGVLDDLZCHTTF-UHFFFAOYSA-N 268.364 3.745 30 20 CHED CC(C)(C)C#CC(=O)NCCC(C)(C)c1ccccc1 837364595 FGZZHQHQCQFVEQ-UHFFFAOYSA-N 271.404 3.520 30 20 CHED C=CCN1CC[C@@H](Nc2ccc(CCCCC)cc2)C1=O 491344367 ZPBVZPVLXZQHFV-QGZVFWFLSA-N 286.419 3.618 30 20 CHED CC[C@@H](NC(=O)CCCCCC#N)C1CCCCC1 588155622 VSKLTJGWLWQQKP-OAHLLOKOSA-N 264.413 3.936 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C1CC1)C(F)(F)F 582627694 BAIPUEGHTDIQPT-GFCCVEGCSA-N 292.345 3.715 30 20 CHED C=C(CC)CN[C@@H](C)c1cc(Br)ccc1O 834902469 IMZCSSPABASJPR-JTQLQIEISA-N 284.197 3.772 30 20 CHED C[C@@H](NN=C1CC(c2ccc(F)cc2)C1)C(F)(F)F 835003616 ZPGOYUROIVHJHL-HNHGDDPOSA-N 274.261 3.600 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cc2cccc(F)c2o1 588177712 QNJVEEBXYBQSSF-UHFFFAOYSA-N 288.322 3.632 30 20 CHED CCCCNN=Cc1sc(C)cc1Br 834940036 BNIAYAHZAHTVPD-UHFFFAOYSA-N 275.215 3.543 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1C 583941482 MEKXORAPMRWSHU-UHFFFAOYSA-N 298.434 3.922 30 20 CHED N#CC1(C(=O)OCc2ccc3c(c2)CCC3)CCCCC1 734579191 SCTPZHYBYAVXBS-UHFFFAOYSA-N 283.371 3.693 30 20 CHED CC1(OCC(=O)N(O)Cc2cccc3ccccc23)CCC1 901371327 RTILATOEONQCBN-UHFFFAOYSA-N 299.370 3.517 30 20 CHED CCc1cccc(C)c1NN=C1C[C@H](C)n2ccnc21 834975726 DIZZVGXSCHWIKA-LBPRGKRZSA-N 268.364 3.535 30 20 CHED CC(C)C[C@H](C)OC(=O)Oc1cccc(CC#N)c1 831268770 ALBUWTLCWBMMNZ-LBPRGKRZSA-N 261.321 3.703 30 20 CHED C=CCN(C(=O)c1ncoc1C(C)C)c1ccccc1 731904685 RSEFTJBOBDRSRP-UHFFFAOYSA-N 270.332 3.631 30 20 CHED CC(CCCc1cccnc1)=NNc1ccc(Cl)nc1 834960172 HHOMCTSZPRNGEC-UHFFFAOYSA-N 288.782 3.941 30 20 CHED CCCCCCCCNC(=O)N[C@@H](C)c1cnn(CC)c1 836372422 ACLJHOBTGDHQJA-AWEZNQCLSA-N 294.443 3.624 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](C)C1 670224895 LSSBMUMGUVCCQA-CQSZACIVSA-N 288.439 3.748 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H](F)C1 583259716 MSQUQTZHUVRIFO-NSHDSACASA-N 289.741 3.698 30 20 CHED C#Cc1ccc([C@@H](OC(=O)CCC)C(F)(F)F)cc1 836080915 NYTOITBNGCPCCB-CYBMUJFWSA-N 270.250 3.615 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(Cl)cc2)C1 839044452 RPDTYRKDSSWETO-GXFFZTMASA-N 263.724 3.579 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1occ2c1CCC2 671838796 HMLGHRVNHZLUIF-UHFFFAOYSA-N 295.382 3.987 30 20 CHED C=CCC1(NC(=O)c2ccnc(Cl)c2F)CCCCC1 836957239 RPQNLKUABLXPMR-UHFFFAOYSA-N 296.773 3.883 30 20 CHED C#CCCCCCC(=O)NCC[C@@H]1CCc2ccccc21 833398327 DVBRUIMSJKBACO-KRWDZBQOSA-N 283.415 3.806 30 20 CHED CSc1ccccc1CC(=O)O[C@H]1CCC[C@H](C#N)C1 839450270 RPPYSBJJBCRWLK-JSGCOSHPSA-N 289.400 3.577 30 20 CHED C#Cc1cccc(CN[C@@H](CCC)c2ccccn2)c1 834904652 ZZTHYHHUHNIQIP-KRWDZBQOSA-N 264.372 3.694 30 20 CHED C[C@H]1CC[C@@H](C)CC1=NNc1nc(O)c2ccccc2n1 834961986 SYFMQGSOKUHXOH-MNOVXSKESA-N 284.363 3.559 30 20 CHED Cc1c(C#N)c(N2CCC[C@@](C)(C#N)C2)nc2ccccc12 590697183 QITRUAZXOMPEJC-SFHVURJKSA-N 290.370 3.545 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCCC(F)(F)CC1 599553329 ZYYZVXXQVBDQFS-LBPRGKRZSA-N 264.319 3.740 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C2CC2)cc1)OCC 678484095 MPMAQIIVEIRHRC-MRXNPFEDSA-N 273.376 3.874 30 20 CHED Oc1cccc(C=Nc2ccc(CC(F)(F)F)cc2)c1O 741466282 LKSPTNUXEZGEAJ-UHFFFAOYSA-N 295.260 3.953 30 20 CHED CC(C)(C#N)CCSc1ccc(-c2ccco2)nn1 593442719 ZIGNSVMCWKGIDK-UHFFFAOYSA-N 273.361 3.769 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1Br)C1CC1 595766388 URZZKZSFEZYHFL-AWEZNQCLSA-N 293.208 3.599 30 20 CHED CC1(C#N)CCN(c2nc3ccccc3n3cccc23)CC1 596188649 KDTCSDSSIDDEAG-UHFFFAOYSA-N 290.370 3.618 30 20 CHED C[C@H](C#N)CSc1ccccc1NCCC1(O)CCC1 594705922 QISLXJDLBJNTKD-CYBMUJFWSA-N 290.432 3.655 30 20 CHED N#C[C@H](C(=O)[C@H]1CC12CCCC2)c1ccc2ccccc2n1 747478692 FXSUUKGPSJAJEI-LSDHHAIUSA-N 290.366 3.991 30 20 CHED CC1(C)CCCN(Cc2nsc3ccccc23)[C@@H]1C#N 595466153 QBQAOBQBCZXRRS-OAHLLOKOSA-N 285.416 3.810 30 20 CHED N#CC1(CSCCc2noc3ccccc23)CCC1 594559847 MLVNDDYZPREANL-UHFFFAOYSA-N 272.373 3.797 30 20 CHED C=CCCSCCNC(=O)Nc1cccc(C)c1F 596822257 QMRJRRDVIGANDY-UHFFFAOYSA-N 282.384 3.565 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C2CCC2)C1 591336979 VVKQHAUUWAOZSG-HNNXBMFYSA-N 283.375 3.521 30 20 CHED C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H](CC#N)C1 595619735 GLXFQOOFNFLGLG-STQMWFEESA-N 269.348 3.514 30 20 CHED CCSCCS[C@H](C#N)Cc1ccc(C)cc1 842569158 NTXIRZRIAGCXAY-AWEZNQCLSA-N 265.447 3.916 30 20 CHED CC(=NN=Cc1ccc(-c2ccccc2)o1)c1cnccn1 745203714 OHSSMVKHQDWXBL-UHFFFAOYSA-N 290.326 3.580 30 20 CHED CO[C@@H](C=NNc1ncnc(Cl)c1C(C)C)CC(C)C 841635443 BUFBGYPVCIDOBR-LLVKDONJSA-N 298.818 3.712 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NC[C@@H]1CCCOC1 918018895 JMIXDSZMGOXQNX-HOTGVXAUSA-N 298.471 3.709 30 20 CHED N#Cc1ccc(CCNC2CC(c3cccc(F)c3)C2)cc1 595055938 MXQFDZHRIJDIQE-UHFFFAOYSA-N 294.373 3.776 30 20 CHED C=C[C@H](C)ONC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 846545388 NWBYVERUYJPNDT-JCURWCKSSA-N 281.355 3.566 30 20 CHED COc1ccc(C)cc1C(C)=NNc1ccc(F)cc1 744563696 XGYCZPGHMWCHGD-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H](c1ccnn1C)C(C)C 682643169 JWWUIGBNEMLRCJ-HZPDHXFCSA-N 277.456 3.884 30 20 CHED C#CCN(C(=O)c1cccc2cc[nH]c12)C1CCCCC1 742591882 CRGINNLRDVFJNJ-UHFFFAOYSA-N 280.371 3.576 30 20 CHED COc1cncc(/C=C/C(=O)c2csc(C(C)C)n2)c1 849249280 GOANRCNXJOZLOS-SNAWJCMRSA-N 288.372 3.566 30 20 CHED CCCCNN=Cc1ccc(OC)c(OCCCC)c1 915965923 GQHUPBKYTWHGTO-UHFFFAOYSA-N 278.396 3.598 30 20 CHED N#CCCC[C@H](NC(=O)N[C@]12CCC[C@@H]1C2)c1ccccc1 596606890 YRBCPYZUZQOMAE-RYRKJORJSA-N 297.402 3.663 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 593403836 RYXGCJRPWRGZMK-NSHDSACASA-N 295.342 3.707 30 20 CHED Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc(Cl)cc1 849240921 YZNQXYAJZUNUKL-CMDGGOBGSA-N 286.762 3.847 30 20 CHED C[C@@H](O)CN(C)N=C1CCC[C@@H](c2ccc(Cl)cc2)C1 841648502 LTHZTYXWABZOPT-TZMCWYRMSA-N 294.826 3.666 30 20 CHED C=CCC1(O)CCN(C(=O)[C@@H](CCCCC)C(C)C)CC1 924439386 YYDCTJCXGBRICO-INIZCTEOSA-N 295.467 3.769 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(OC)c(N)c1 841262860 XZUXQKGWVTZVRE-UHFFFAOYSA-N 291.395 3.535 30 20 CHED CCC[C@H](/N=C\c1c(CO)cnc(C)c1O)c1ccccc1 747712900 KOMXFUIXWTVKDA-BCUAHEQISA-N 298.386 3.548 30 20 CHED C[C@@H]1CCC(=NNc2ccc(CC(=O)O)cc2)C[C@H]1C 848413651 BBMCKLFMUQWUAA-VXGBXAGGSA-N 274.364 3.538 30 20 CHED C=CCCC[C@H](C)OC(=O)c1cnc2n1[C@H](C)CCC2 845285991 LBJSNBAVSYKJPG-OLZOCXBDSA-N 276.380 3.682 30 20 CHED CC(CC1CCCC1)=NNc1cc(Cl)nc(C)n1 752735249 RYJQTPQVXUYVDS-UHFFFAOYSA-N 266.776 3.807 30 20 CHED C=C[C@@H](CC(=O)OCC[C@H]1CCCC1=O)c1ccccc1 758922409 YKMDPGMFGOUUHT-GOEBONIOSA-N 286.371 3.649 30 20 CHED N#Cc1ccc(F)cc1COC(=O)/C=C/c1cccs1 759349863 UCXVODRSKVDFKP-AATRIKPKSA-N 287.315 3.515 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc(F)c(C#N)c2)c1 758708102 AAEUIGQJTLNXRM-UHFFFAOYSA-N 278.330 3.705 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1nccc2sccc12 751526739 MCVLFTXOYIDNFY-NSHDSACASA-N 275.377 3.511 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C/c1ccccc1 851214532 RMXHTKVAJJYGQU-WTNCMQEWSA-N 257.333 3.571 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cc(C)oc1C 920386175 SRZACYRNCXHIQN-LBPRGKRZSA-N 256.349 3.971 30 20 CHED C=CCN(Cc1c(O)ccc2ccccc12)[C@@H](C)COC 853533012 SCPOVMZOQHPQPY-AWEZNQCLSA-N 285.387 3.568 30 20 CHED CCc1ccc(C(C)=NNc2ncc(Cl)cn2)s1 857222997 HDAUKHFMWGMFSX-UHFFFAOYSA-N 280.784 3.590 30 20 CHED Cc1cccc(C)c1/C=C/C(=O)c1csc(C(=O)O)c1 755591406 AYNCPPFRIZPIOL-VOTSOKGWSA-N 286.352 3.959 30 20 CHED C#C[C@](C)(CC)NCc1csc(-c2ccc(C)o2)n1 852099584 NFKZMPOQZXCHTJ-OAHLLOKOSA-N 274.389 3.603 30 20 CHED N#Cc1ccc(NN=C[C@@H]2C[C@H]2c2ccccc2)cc1 755650659 DHCXGAQDPSWYPH-RDJZCZTQSA-N 261.328 3.760 30 20 CHED CCC(=NNc1ccccc1)c1ccc(N(C)C)cc1 759178721 DLJPYRVOENDFSY-UHFFFAOYSA-N 267.376 3.979 30 20 CHED C#CCNc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 754307226 FMFBPOHSICKWFH-UHFFFAOYSA-N 292.260 3.938 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=Cc1cncs1 753948101 YAZNFCDMEGIYMN-UHFFFAOYSA-N 289.257 3.747 30 20 CHED C=C(Cl)COC(=O)c1cnc(Cc2ccccc2)s1 756538037 YXJZGPMRWZOBIP-UHFFFAOYSA-N 293.775 3.643 30 20 CHED C[C@H](c1cccc(Br)c1)N1CCC[C@H](C#N)C1 932157031 ARMWHMUPESPHTK-VXGBXAGGSA-N 293.208 3.746 30 20 CHED C=C[C@@H](Cc1nc(-c2cccc(N)c2)no1)c1ccccc1 759191982 GSLBNGPLGRMTMO-ZDUSSCGKSA-N 291.354 3.831 30 20 CHED N#CCCSc1ccc([N+](=O)[O-])cc1C(F)F 865870943 GFRAOBNGJOMSPK-UHFFFAOYSA-N 258.249 3.538 30 20 CHED C#CC[C@@H](NCc1coc(C(C)(C)C)n1)c1ccccc1 930219068 CXPTXEOIHKFFCC-MRXNPFEDSA-N 282.387 3.826 30 20 CHED Cc1ccccc1[C@H](C)C(=O)NCC(C)(C)CCC#N 935991867 BXOSEYKFUFHFAH-AWEZNQCLSA-N 272.392 3.545 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(OC)cc1 766772558 UPYYOCWWQCDQRX-TWGQIWQCSA-N 267.328 3.549 30 20 CHED CC(C)O[C@@H]1CC(=NNc2c(F)cccc2F)C1(C)C 764910998 YFAQPAZYZQSWDX-CYBMUJFWSA-N 282.334 3.956 30 20 CHED CC1(CCC(=O)N[C@](C)(C#N)C2CCCCC2)CC1 932885633 AIUXONIUKZWMKN-MRXNPFEDSA-N 262.397 3.545 30 20 CHED CC(C)N(CCC#N)Cc1ccc(N2CCCCC2)cc1 768766008 XWFWUUGBDVQYQO-UHFFFAOYSA-N 285.435 3.801 30 20 CHED C#Cc1cccc(NC/C=C\c2ccccc2[N+](=O)[O-])c1 766444375 AIUUTJSNNGOJIR-TWGQIWQCSA-N 278.311 3.701 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2ncc(F)cn2)cc1 760261865 GPJGJELWSHMLFO-AWEZNQCLSA-N 284.338 3.660 30 20 CHED C=CCCC(=O)COC(=O)[C@H](C)c1ccc(Cl)s1 761411491 SUCVMAYLIFOEEI-SECBINFHSA-N 286.780 3.584 30 20 CHED C=C(C)C[C@H](NCc1c(Cl)oc2ccccc12)C(=O)O 864529295 GUOZFCRUNRYRTO-LBPRGKRZSA-N 293.750 3.595 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1cccc(C(C)C)c1 863195500 BWORZROBTOEQMU-CMDGGOBGSA-N 268.360 3.748 30 20 CHED C=CC[C@@H]1N(C[C@@H](O)c2ccc(C#N)cc2)CCCC1(C)C 769953984 QMTAMEXMELBIFU-MSOLQXFVSA-N 298.430 3.658 30 20 CHED C=CCN(C(=O)Nc1ccc(OC)c2ncccc12)C(C)C 768971727 MTMKHNUPCIROIR-UHFFFAOYSA-N 299.374 3.672 30 20 CHED CC(=NOCC(F)(F)F)c1ccc2ccccc2c1O 764844127 GPAVEYBZMVGBSB-UHFFFAOYSA-N 283.249 3.848 30 20 CHED CC(CCc1cccc(F)c1)=NOCC(F)(F)F 764846004 DFVNEFBFLCDILK-UHFFFAOYSA-N 263.234 3.713 30 20 CHED Cc1cc(OC(=O)CCc2ccccc2F)ccc1C#N 765095440 VMRMRWCOQPPUGW-UHFFFAOYSA-N 283.302 3.544 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1sccc1C 768380504 AIQRBTRQTPSOMC-UHFFFAOYSA-N 290.779 3.813 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 879427046 XRRUBTJPYRTEHS-GHMZBOCLSA-N 277.330 3.778 30 20 CHED CC(C)(C)c1ncc(C=NOC2CCCC2)s1 774596642 JDQHWRFTIPMASN-UHFFFAOYSA-N 252.383 3.734 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1cc(Cl)nc(C)n1 773203579 RQUOQRKXQODSFN-JQWIXIFHSA-N 278.787 3.829 30 20 CHED O=C1C/C(=C/C=C\c2ccccc2)C(=O)c2ccccc2N1 774140265 HNFDNMQDXJSQRS-IAGWCDOLSA-N 289.334 3.851 30 20 CHED N#CCOc1cccc(NC/C=C/c2ccc(F)cc2)c1 779588880 RMEHGXSQMQUTBP-NSCUHMNNSA-N 282.318 3.853 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)C2(C#N)CCCCC2)[C@@H]1C 779269283 GZBDVSCDCLSUJK-MGPQQGTHSA-N 263.381 3.828 30 20 CHED C[C@@H]1CCN(C(=O)c2csc(C#N)c2)c2ccccc21 1117778017 KKICCEAOWGBYQR-LLVKDONJSA-N 282.368 3.774 30 20 CHED C[C@@H](C#N)N(Cc1ccc2ccc(Cl)cc2n1)C1CC1 878919138 HUWORIDDAKFHJA-NSHDSACASA-N 285.778 3.765 30 20 CHED C=C(C)COC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 777155919 PMLHSLMYNBPVTN-UHFFFAOYSA-N 290.750 3.567 30 20 CHED C=C(CC)COC(=O)[C@H]1C[C@H]1c1sccc1C 773537484 VDACRHJADVPRBW-NEPJUHHUSA-N 250.363 3.669 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1ccco1 776782330 IMUUNDCUKUIZHK-UHFFFAOYSA-N 265.316 3.972 30 20 CHED Cc1ccc(C=NN[C@H](Cc2ccccc2)C(C)C)cn1 777449520 WUOKGFZHBGAZGG-GOSISDBHSA-N 281.403 3.581 30 20 CHED CCOCCON=C(C)c1oc2ccccc2c1C 774415902 YGKYXQCRNKQZFE-UHFFFAOYSA-N 261.321 3.518 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(-c2ccccc2OC)cc1 775179828 SDXAFOSKFXBPJD-OAHLLOKOSA-N 279.383 3.816 30 20 CHED CC(C)[C@H]1C[C@@H]1COC(=O)c1cc2ccccc2n1CC#N 774861476 JJLMBZBVAHBJOX-HUUCEWRRSA-N 296.370 3.614 30 20 CHED C=C1CCC(C(=O)Nc2cc(C)n([C@@H](C)CC)n2)CC1 889870242 ZJAYTXIZVUTMPJ-LBPRGKRZSA-N 275.396 3.847 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccc(C(F)(F)F)nn1 783861676 FQXKVPRRQRDIFG-VHSXEESVSA-N 286.301 3.719 30 20 CHED CC(C)C1CCC(=NNc2ncncc2Cl)CC1 780275060 KFOWOQNJFRDGOR-UHFFFAOYSA-N 266.776 3.744 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1n[nH]cc1-c1ccccc1 889868902 XYKLCCUWALGRPS-LBPRGKRZSA-N 269.348 3.618 30 20 CHED N#CCc1cccc(NC(=O)c2cccc(C(F)F)c2)c1 1129090671 WWNBAJLBCPFNFE-UHFFFAOYSA-N 286.281 3.943 30 20 CHED N#C[C@@H](C(=O)c1cc2cccc(Cl)c2o1)c1ccccn1 783068660 ICIAFNGEVMLZON-LLVKDONJSA-N 296.713 3.971 30 20 CHED N#Cc1sc(N[C@@H](c2ccccn2)C2CC2)nc1Cl 895795528 FQTKETVKYOPNHW-LLVKDONJSA-N 290.779 3.626 30 20 CHED C/C=C(/CC)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 789661077 KGACNMNHAJJUFZ-CQPUUCJISA-N 280.371 3.530 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 780013467 ORAHSSSORICKEB-BOLDSZDNSA-N 290.794 3.626 30 20 CHED Cc1ccc(C(=O)N(C)c2ccc(C#N)nc2)c(Cl)c1C 1130448592 YQVQOBBDAXRTQR-UHFFFAOYSA-N 299.761 3.500 30 20 CHED CC1(C)CC(C(=O)N(CC#N)c2ccccn2)CC(C)(C)C1 892472860 IRASPFMJGAOWHN-UHFFFAOYSA-N 299.418 3.791 30 20 CHED Cc1c(C(=O)OCC(C)(C)C#N)oc2ccc(F)cc12 781467685 IWXDCMRNPCOPAA-UHFFFAOYSA-N 275.279 3.587 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)CCc2c(F)cccc21 899390093 SFEMUAYCAQBKCK-UKTHLTGXSA-N 296.345 3.960 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(OC(C)C)cc1 785593956 NNYKEVLSOUPRNH-INIZCTEOSA-N 262.349 3.982 30 20 CHED CC(C)[C@@H]1CCCN(c2snc(Cl)c2C#N)C1 780638539 IDXGOLUPSASWLD-SECBINFHSA-N 269.801 3.541 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(C)C)cc2)n(C)n1 789158655 FXIGEEXJLYVFBQ-YFHOEESVSA-N 268.360 3.748 30 20 CHED CC1(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CCCCC1 781453711 XLUUYKNQFGMYSX-GFCCVEGCSA-N 282.343 3.974 30 20 CHED COc1ccccc1CON=C/C=C/c1ccccc1 799117924 OOUJIJFBSAFWRD-XKBVOMFJSA-N 267.328 3.911 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1nc2c(s1)CCCC2 793113434 ABIIGGUUESTRIC-NSHDSACASA-N 279.453 3.770 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2cccc(F)n2)cc1 795006178 FUDWIUOQEGMGMC-LLVKDONJSA-N 287.338 3.821 30 20 CHED C=CCC[C@@H](NC[C@@]1(O)CCc2ccccc21)c1ccco1 796842377 ZCMLZKHZBYFKNF-MJGOQNOKSA-N 297.398 3.711 30 20 CHED CC(=NNc1ncccc1C)c1ccccc1OC(F)F 790190238 HPWRXUDQHIVRQR-UHFFFAOYSA-N 291.301 3.828 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N 1201432235 FXGGCMWTQYNSPG-FZMZJTMJSA-N 289.354 3.788 30 20 CHED Cc1ccc([C@H](O)[C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 797057614 AFIHMRCBDMRXSW-SPYBWZPUSA-N 294.398 3.639 30 20 CHED CCc1ccc(C(C)=NNc2ncccc2F)s1 794988936 BCTCOJHEGUKNNY-UHFFFAOYSA-N 263.341 3.681 30 20 CHED C#C[C@@H](NC(=O)c1ccc(SC(C)C)cc1)C(C)C 799047138 REFXUDIHUNCNOY-OAHLLOKOSA-N 275.417 3.575 30 20 CHED Clc1ccc(NN=C2CCC23CCOCC3)cc1 799866050 SGEGDWUCUXAOAD-UHFFFAOYSA-N 264.756 3.699 30 20 CHED CC(=NNCC(F)(F)F)[C@@H](C)c1ccc(Cl)cc1 794533942 CCLXLVBFFUDHGO-MRVPVSSYSA-N 278.705 3.971 30 20 CHED CC(C)=CC/N=C/c1cc(Br)ccc1O 790100273 HDTAQJGLKHUJOZ-RIYZIHGNSA-N 268.154 3.540 30 20 CHED CCc1occc1C(=O)OCc1ccc(Cl)cc1C#N 797478123 HHJIVFHAZJDPDC-UHFFFAOYSA-N 289.718 3.724 30 20 CHED CC[C@@H](C)c1ccc(OC(=O)c2ccc(C#N)o2)cc1 796729598 BUGGYEHMAQQTCP-LLVKDONJSA-N 269.300 3.884 30 20 CHED CC(C)(C#N)CCOC(=O)C1CC(c2ccc(F)cc2)C1 796092193 CTLULYBDOLMJPA-UHFFFAOYSA-N 289.350 3.802 30 20 CHED Cc1cc(C)c(NN=Cc2ccnn2C(C)C)c(C)c1 794515056 HXEJWCAKTTUCNJ-UHFFFAOYSA-N 270.380 3.835 30 20 CHED C=CC[C@H](CC)NS(=O)(=O)/C=C/c1ccccc1Cl 798467107 LDCHARBLZPXHIA-NHAQELONSA-N 299.823 3.585 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C#N)c1 48682909 CDNZEOMBXMTYJN-UKRRQHHQSA-N 271.364 3.649 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccsc2Cl)c1 1525310499 AVNSCKHCXNELOQ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(C)C1CCCCC1 1301012948 JOAFNHWMNQYTEN-UHFFFAOYSA-N 296.846 3.923 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2ccccc2c1O 19839065 ORHROQALABSQCS-UHFFFAOYSA-N 269.344 3.584 30 20 CHED CC[C@@H](CC(F)F)CN1CCc2ccc(C#N)cc21 1193011042 FOPSWWGKHNDJOK-NSHDSACASA-N 264.319 3.602 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(Br)c1C 393817769 GOQSZJCZCQKEEP-LLVKDONJSA-N 296.208 3.842 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 73024511 SOIRRGFEGISJDX-HNNXBMFYSA-N 292.382 3.999 30 20 CHED Fc1ccc(CNN=C2CCC3(CCOCC3)CC2)cc1 1319184440 WHKRSRQRCFQVII-UHFFFAOYSA-N 290.382 3.642 30 20 CHED C=CCC1(c2nnc(-c3ccc4c(c3)OCO4)o2)CCCC1 1326954999 ROZGNAOIORZBTF-UHFFFAOYSA-N 298.342 3.853 30 20 CHED CCCCCCCCC(=O)NC[C@H](O)c1ccccc1 59250562 ZPXGYCPPCIXMPP-INIZCTEOSA-N 277.408 3.587 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2CCC1CC2 1325566180 WJZFWRKXBGKSMC-LXPRWKDFSA-N 298.430 3.758 30 20 CHED N#CCOc1ccc(N[C@@H]2CCc3nc(Cl)ccc32)cc1 1324583803 AYHZQUZKKQHDEX-CQSZACIVSA-N 299.761 3.737 30 20 CHED Cc1cc(N(CC2CC2)C2CCCCC2)ncc1C#N 1185242518 XMGPGBZFRNOEOT-UHFFFAOYSA-N 269.392 3.811 30 20 CHED COc1cc(C(C)=NNc2ccc(C)c(Cl)c2)ccn1 1321026139 XGFFVNXVPSVIPF-UHFFFAOYSA-N 289.766 3.888 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc(Cl)ccc1Cl 1338113624 VITQCEIEWYAYGT-KOLCDFICSA-N 274.191 3.845 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H]1CCC 1336163670 NOGQUDXNUSIEMG-HNNXBMFYSA-N 267.413 3.541 30 20 CHED C#CCN(CC)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1336413441 LFCNPTPZPBXYFA-UHFFFAOYSA-N 298.213 3.753 30 20 CHED C#CCN(C(=O)c1ccc(SC(F)(F)F)cc1)C1CC1 763800693 XBZQQTBQCDXIRF-UHFFFAOYSA-N 299.317 3.536 30 20 CHED N#CC1(C(=O)OCc2cnc(-c3ccccc3)s2)CCC1 1251975834 CKAOFRYTLSTEMX-UHFFFAOYSA-N 298.367 3.547 30 20 CHED CC[C@@H]1CCC[C@H](NCc2ccc(OC)c(C#N)c2)C1 87824482 SZHHVAAFPUITRE-CJNGLKHVSA-N 272.392 3.625 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1cccc2c1CCCN2 1338984341 NCYHXICZWAEIAY-QGZVFWFLSA-N 272.392 3.610 30 20 CHED CC1(C)C[C@@H](NCCCCC2(C#N)CCC2)C(C)(C)O1 1332887975 TVOCPFNTFZBPJE-CQSZACIVSA-N 278.440 3.786 30 20 CHED C[C@@H](NN=Cc1ccc(N2CCCC2)cc1)c1ccccc1 1337811380 ANSUOKFLTXQMEV-MRXNPFEDSA-N 293.414 3.972 30 20 CHED C=C(C)CCC(=O)NCCc1c[nH]c2cc(Cl)ccc12 1335741078 FMVJCYGYMMVROX-UHFFFAOYSA-N 290.794 3.836 30 20 CHED CC(C)(CNc1cccc(CC#N)n1)Cc1ccccc1 1342844017 TUWXNWPMLAIKTN-UHFFFAOYSA-N 279.387 3.828 30 20 CHED CCCC[C@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1348919866 IGGQECSQWUFWLN-NSHDSACASA-N 255.321 3.902 30 20 CHED C=C(CC)C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 1347025439 KORWSNPARGVYQS-OAHLLOKOSA-N 283.375 3.583 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cnc(Cl)cc1C#N 1349666413 BZLSWNKONKOSNA-JQWIXIFHSA-N 291.782 3.762 30 20 CHED C[C@@H](OC(=O)c1ncc(Cl)s1)c1cccc(C#N)c1 1344439316 JLNDMTYITODYNU-MRVPVSSYSA-N 292.747 3.586 30 20 CHED CN(Cc1ccccc1Cl)C(=O)c1ccsc1C#N 1351717438 LDPYKHUIZBHMIW-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1occc1C(C)C 1355120084 BWHJRSMTWGMFLC-CYBMUJFWSA-N 261.365 3.974 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C2C(C)(C)C2(C)C)cc1 1524111411 PWFRDYGRKLKXFH-OAHLLOKOSA-N 298.430 3.954 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 1294731334 RYBHFASDGRYWOE-AWEZNQCLSA-N 292.329 3.535 30 20 CHED CCCCCCC[C@@H](C)CNc1cnc(C(=O)O)cn1 1605267374 UQRZMDGLDUQAFJ-GFCCVEGCSA-N 279.384 3.583 30 20 CHED CCC[C@H](CC)C(=O)Nc1ccnn1-c1ccc(C#N)cc1 1521811690 DTAZWJPWNDHZHM-AWEZNQCLSA-N 296.374 3.509 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(C(=O)O)co2)cc1Cl 1600398356 ORIWMIASWXQCBX-SNAWJCMRSA-N 290.702 3.836 30 20 CHED O=C(O)Cc1ccc(NN=Cc2ccc(C3CC3)cc2)cc1 1602137809 PTKWQSGDTAKOHN-UHFFFAOYSA-N 294.354 3.637 30 20 CHED CC(C)(C(=O)O)c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 1603270656 CBEZBNSTEYRKIU-IUODEOHRSA-N 286.375 3.543 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2cc(F)cc(C#N)c2)C1(C)C 1474666194 ISTOYWJUGSBOHR-HUUCEWRRSA-N 276.355 3.701 30 20 CHED N#Cc1ccc(CNc2nc3cccc(F)c3s2)cc1 1472699987 ZNGSICKRPPUOGI-UHFFFAOYSA-N 283.331 3.919 30 20 CHED CC(C)[C@H]1CN(c2ccc(Cl)c(C#N)n2)[C@H]1C(C)C 1612378517 SWWVNUXTLAVVIS-ABAIWWIYSA-N 277.799 3.723 30 20 CHED Cc1cc(CCNc2nccc(C)c2C#N)ccc1Cl 1472791122 UUDPIWBPSLTAQL-UHFFFAOYSA-N 285.778 3.878 30 20 CHED CCCC(C)(C)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1628458853 VPWMTGLVPFPEPT-UHFFFAOYSA-N 284.363 3.508 30 20 CHED C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)[C@H](C)[C@@H]1C 1559922798 OCCYCMLBSYBNMH-IJLUTSLNSA-N 262.784 3.688 30 20 CHED CCC[C@H](Nc1cc(C#N)nc(CC)n1)C1CCCC1 1559209722 LMPXKUPUEYAXNS-AWEZNQCLSA-N 272.396 3.681 30 20 CHED Cc1cc(C#N)nc(NCC2(C)CCC(C)(C)CC2)n1 1612493697 FBHZLIDHUAKVHU-UHFFFAOYSA-N 272.396 3.675 30 20 CHED C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(C#N)cc1 1562052272 LBWAOWDBOVBJHB-LBPRGKRZSA-N 299.399 3.715 30 20 CHED C=C(CNC(=O)c1cccc2ccncc12)c1ccccc1 1583132536 GPGLSTHBUNYOOW-UHFFFAOYSA-N 288.350 3.678 30 20 CHED Cc1cc(C#N)cc(NCc2cc(F)ccc2N(C)C)c1 1651210674 NYVWWNRBFQBJGT-UHFFFAOYSA-N 283.350 3.684 30 20 CHED CC(C)C1(C)CCN(CCOc2cccc(C#N)c2)CC1 1654221991 SDYHGMLWCLDJEX-UHFFFAOYSA-N 286.419 3.695 30 20 CHED Cc1cc(C#N)nc(S[C@H](C)c2ccccc2F)n1 1655048968 CYVCLQAICMMFIZ-SNVBAGLBSA-N 273.336 3.649 30 20 CHED CCCN(Cc1cc(C#N)ccn1)CC1CCCCC1 1653204944 IIVRCINDMCQAPW-UHFFFAOYSA-N 271.408 3.746 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc(Cl)cs2)c1 1588159139 IIKDSMKXQZFXMJ-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@H](CNC(=O)Nc1cc(C#N)ccc1F)C(C)(C)C 1672126298 WWJKLJHYVJQNOY-SNVBAGLBSA-N 277.343 3.501 30 20 CHED C=CCCC1(C(=O)O)CCN(CCCCC2CC2)CC1 1776169759 JOUQLWFYUFCVKM-UHFFFAOYSA-N 279.424 3.700 30 20 CHED C=CC[C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C(=O)O)c1 1776151915 IXIABXGUBYOGHR-ZDUSSCGKSA-N 289.375 3.870 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(C)c(C(=O)O)c2)c1 1776048029 DBOROJKIQIGFRN-UHFFFAOYSA-N 286.306 3.587 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)C1CC2(CCC2)C1 1776038322 DKSXZOIMGTZXIJ-UHFFFAOYSA-N 272.348 3.753 30 20 CHED CCCc1ncc(C(=O)N(CC)c2ccc(C#N)cc2)s1 152056408 FHBODPJELSYADL-UHFFFAOYSA-N 299.399 3.634 30 20 CHED Cc1cscc1C(=O)N[C@@H](CCC#N)c1ccccc1 153177929 PXQFJQRSKBCVSU-HNNXBMFYSA-N 284.384 3.831 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(Cl)ccc1SC 157284262 NCGNZRNCTZVDNU-JTQLQIEISA-N 297.811 3.876 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2ccc(CC)o2)SC1=S 155382824 AWNSIJHZTOYZRQ-KPKJPENVSA-N 293.413 3.619 30 20 CHED C#CCCCCNC(=O)c1ccc(Oc2ccccc2)o1 156658229 IXTLKFWGONSHBD-UHFFFAOYSA-N 283.327 3.605 30 20 CHED COc1cc(C#N)ccc1COc1ccc2ncccc2c1 159640122 UKBZGXMUKMDQRA-UHFFFAOYSA-N 290.322 3.694 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCS2)cc1C(F)(F)F 125673916 JRMKLVPXFYOLAK-NSHDSACASA-N 286.322 3.885 30 20 CHED CCN(CCC#N)C(=O)Nc1cccc2ccccc12 42247418 PRSNNIJAOAVSAM-UHFFFAOYSA-N 267.332 3.607 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cccc(NC(C)=O)c1 281706680 TUGVYUXNCXEZGO-WFASDCNBSA-N 260.381 3.650 30 20 CHED CN(C(=O)CCC1CCCCC1)c1cccc(C#N)c1 59095629 MJPCOVVUEHHQFW-UHFFFAOYSA-N 270.376 3.882 30 20 CHED C[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)[C@H]1C 301624446 FYLWULSOZSANLP-UWVGGRQHSA-N 268.282 3.812 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@@H](C)CCC=C(C)C 522003524 FXOMQTNVTSDLOS-LSDHHAIUSA-N 264.413 3.767 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)c1ccsc1 619745855 IVTXSHSRLSAVHF-QMMMGPOBSA-N 263.753 3.841 30 20 CHED C=C(CC)CN(CCCCOC)Cc1ccccc1 536893042 JREKYRLMRDRILW-UHFFFAOYSA-N 261.409 3.881 30 20 CHED N#Cc1cccc(CCNc2ccc(Cl)cc2C#N)c1 582985233 SHYVTTNFAFKYJL-UHFFFAOYSA-N 281.746 3.738 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)O)s1 709362004 GXVRUJGDGFSLHM-DGCLKSJQSA-N 279.405 3.671 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc(Cl)s3)no2)c1 384421232 TVJOXCQHMRAJHS-UHFFFAOYSA-N 287.731 3.990 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c(Cl)c1 593100609 FWZGSKWILNGWIE-KGYLQXTDSA-N 286.762 3.752 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1ccc(C#N)c(C(F)(F)F)c1 109129346 OQNXXYCIVQRRFZ-ZWNOBZJWSA-N 298.308 3.947 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2ccc(F)cc2F)c1 59270278 REJUNEGRQBYTTH-FNORWQNLSA-N 269.250 3.733 30 20 CHED C=CCC[C@H](NCc1cnn(Cc2ccccc2)c1)C1CC1 178675252 UJFYUTVKWREHKS-IBGZPJMESA-N 295.430 3.766 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C#N)s2)cc1[N+](=O)[O-] 176400713 DSJPJYDJGROPKN-VOTSOKGWSA-N 298.323 3.733 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(C)cc1 116973138 QQOOPKDRKMKTFB-KGLIPLIRSA-N 260.381 3.662 30 20 CHED N#Cc1cc(F)c(N[C@H](CCO)C2CCCCC2)c(F)c1 301546283 OZUZKMLTQZYKML-OAHLLOKOSA-N 294.345 3.580 30 20 CHED C=C(C)CCOC(=O)c1csc(-c2ccccc2)n1 174795539 WQAZMSJBMIFEIH-UHFFFAOYSA-N 273.357 3.933 30 20 CHED C=CC1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 115216402 WBUIZQSPUFAONV-INIZCTEOSA-N 269.388 3.531 30 20 CHED CSCCc1ccc(Nc2ccc(C#N)cn2)cc1 68906980 AAANMLVVPDNKTN-UHFFFAOYSA-N 269.373 3.602 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(Oc2ccccc2)CC1 134986087 SCHXQOSTEXOMKX-SFHVURJKSA-N 287.403 3.659 30 20 CHED CCN(CCc1cncs1)[C@@H](C)c1ccc(C#N)cc1 411184655 FVQXQRUVMVTWDU-ZDUSSCGKSA-N 285.416 3.640 30 20 CHED Cc1ccsc1/C(O)=N/c1nnc(C(F)(F)F)s1 29283384 YQJYJRRKHIHYJB-UHFFFAOYSA-N 293.295 3.563 30 20 CHED C[C@@H]1CN(c2ccc(F)cc2C#N)[C@@H]2CCCC[C@H]12 302067021 BAWHEFNZAPPXQP-DJSGYFEHSA-N 258.340 3.712 30 20 CHED N#Cc1cc(Br)ccc1NCCC1CC1 132723100 MOKGQNZNVJHYTN-UHFFFAOYSA-N 265.154 3.533 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2ccc3c(c2)CCO3)cc1 172192471 UCGKKTMBFXDLBR-ZDUSSCGKSA-N 294.354 3.524 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC2(CCCC2)C1 173760422 VELPHUOYBYDVJU-UHFFFAOYSA-N 285.387 3.658 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cccc(Cl)c1OCC 410140277 QGZYAZXZMZJHDS-ZDUSSCGKSA-N 295.810 3.752 30 20 CHED N#CCCCCNC(=O)Nc1ccc2c3c(cccc13)CC2 171365939 VKIMYIVNHSQMQP-UHFFFAOYSA-N 293.370 3.754 30 20 CHED CCSCc1cccc(NC(=O)C2(C#N)CCCC2)c1 128748879 MITXMINFZFQPCW-UHFFFAOYSA-N 288.416 3.962 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(C#N)cc1OC 121467455 YMEBTAZZGIXUEP-CYBMUJFWSA-N 292.448 3.530 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 180805922 QMMQWMPPYUCLSU-OAHLLOKOSA-N 288.435 3.960 30 20 CHED N#Cc1ccc(NCCCc2cccc(F)c2)cc1 301162129 CKYSBOQWZWDEAV-UHFFFAOYSA-N 254.308 3.742 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccc(C(=O)O)cc1 213739425 MMKYWZZHFRHBNW-TWGQIWQCSA-N 296.322 3.598 30 20 CHED Cc1cc(Cl)cc(C(=O)N(C)Cc2ccc(C#N)cc2)c1 129054335 CVTJZVLFAZPBLG-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C[C@H]1CN(Cc2ccccc2C#N)C[C@H](c2ccccc2)O1 70695016 QQOBHXPKMRUZKM-HNAYVOBHSA-N 292.382 3.520 30 20 CHED COc1ccccc1OCCSCc1ccc(C#N)cc1 79376630 FRSSPPYYWXBTIM-UHFFFAOYSA-N 299.395 3.879 30 20 CHED C=CCOc1cccc(CN[C@@H](CCOC)C(C)(C)C)c1 509964278 SKBAIOITGLBALZ-KRWDZBQOSA-N 291.435 3.792 30 20 CHED C=CCCCCCN(C)c1nnc([C@H](C)CC)n1C 507814732 XELKJWOSKYKRGZ-CYBMUJFWSA-N 264.417 3.511 30 20 CHED C=CCNC(=O)Nc1ccc(NCc2cc(C)oc2C)cc1 120535621 JVAKTLNJNCDLAX-UHFFFAOYSA-N 299.374 3.816 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(SC)cc1 125940511 AZEVIVJGTYIVDQ-ZDUSSCGKSA-N 292.448 3.634 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc2c(c1)CCCC2 411436326 HBVXGYJYNILINX-UONOGXRCSA-N 256.393 3.908 30 20 CHED CC(C)(CNCc1ccc(C#N)cc1F)c1ccccc1 37935076 GTMGIWXGBOAWLK-UHFFFAOYSA-N 282.362 3.765 30 20 CHED C=CCC[C@H](C)N[C@H](C)c1nc(Cc2ccccc2)no1 185399579 MCJDGEPKWWDIAZ-UONOGXRCSA-N 285.391 3.666 30 20 CHED C=C(C)CN[C@@H](CC)c1nc(C(F)(F)F)cs1 185941897 AGCTUVDVGFGNNX-QMMMGPOBSA-N 264.316 3.779 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)Cc1cccc(F)c1 411116786 XEOKJFCERXTODY-GUYCJALGSA-N 277.383 3.817 30 20 CHED Cc1cccc(CNc2ccc(F)cc2OCC#N)c1C 181542744 MCESHPNWKWLBAO-UHFFFAOYSA-N 284.334 3.957 30 20 CHED CN(CCCCC#N)Cc1c(F)cccc1Cl 71016092 DCYCNBDXONOTFT-UHFFFAOYSA-N 254.736 3.605 30 20 CHED N#CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 72679978 GVHJJQFROLVZAE-UHFFFAOYSA-N 294.398 3.760 30 20 CHED N#Cc1ccc(N2CCC[C@H]2CCC2CCCC2)cn1 410207477 OUTPOIZNIWSCPL-INIZCTEOSA-N 269.392 3.892 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(C#N)s2)cc1 505632000 HASQFBPOCXNUMJ-UHFFFAOYSA-N 286.400 3.650 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)n2ccnc21 414305409 RSLYWWJKVHOKQX-DJIMGWMZSA-N 281.403 3.666 30 20 CHED CCCC[C@@H](C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 415711258 SBAWYJNMFXHDII-GFCCVEGCSA-N 287.407 3.698 30 20 CHED C[C@H](N[C@@H](C)c1nccs1)c1ccc(C#N)c(F)c1 414227683 WQFBJFMKGACFHN-UWVGGRQHSA-N 275.352 3.566 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C/C=C/Cl 76153513 CUQNXCGLDZDKGY-LTBMOJJQSA-N 260.768 3.511 30 20 CHED CO[C@](C)(C1CC1)[C@H](C)NCc1ccc(C#N)cc1Cl 411968425 JPPIMEQMQFCFFD-ZBEGNZNMSA-N 292.810 3.505 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)NCC(C)(C)C#N)C1(C)C 413438626 JEQBJQNQVQYHEN-CYBMUJFWSA-N 293.455 3.782 30 20 CHED CC(C)[C@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1F 500863957 HSNOFXFNTVEEBM-HNNXBMFYSA-N 294.345 3.718 30 20 CHED CC(C)c1noc([C@H](C)SCC2(C#N)CCC2)n1 419389064 SKTZBRDGRLYMHI-JTQLQIEISA-N 265.382 3.681 30 20 CHED CC(C)(C#N)CCN[C@@H]1CCC[C@@H]1c1ccccc1 133448048 SOXLCXOOVGAUBX-HZPDHXFCSA-N 256.393 3.852 30 20 CHED C#CCCCC(=O)Nc1ccc(F)cc1C(F)(F)F 192268977 JQIBKRBHNBIGMM-UHFFFAOYSA-N 273.229 3.587 30 20 CHED CCN(C)c1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cn1 191299441 NVFQSXFYIZUSSN-YBEGLDIGSA-N 292.382 3.669 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H](c3ccccc3C)C2)n1 507026560 HBOWMQFLVLTHTA-MRXNPFEDSA-N 291.398 3.872 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(C)Cc2ccc(C#N)cc2)C1 131297521 RTVRPCAACKVOQY-YOEHRIQHSA-N 284.403 3.733 30 20 CHED N=C(O)C1(/N=C(/O)CC2CC(c3ccccc3)C2)CC1 329844568 OJHYUYZZJIIHKE-UHFFFAOYSA-N 272.348 3.595 30 20 CHED CC1(C)CCC(C)(C)c2cc(C(=O)NCCC#N)ccc21 427651345 PCMJVDYBSUAJCU-UHFFFAOYSA-N 284.403 3.679 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1noc(C(C)C)n1 421186846 FUVIQNSKYNCSLO-UHFFFAOYSA-N 291.738 3.606 30 20 CHED CC(C)c1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)on1 425130820 OTGMELSURWQPPE-GFCCVEGCSA-N 297.358 3.503 30 20 CHED Cc1ccccc1S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C 48835162 ACLRTDRLGWOQMT-CJNGLKHVSA-N 290.432 3.530 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2C2CCCC2)s1 130962560 AJZRXXZGNPOMGO-HNNXBMFYSA-N 260.406 3.774 30 20 CHED C#CCCCC(=O)Nc1cc(CCc2ccccc2)ccn1 192372901 OUMCMLVLPLWNCT-UHFFFAOYSA-N 292.382 3.609 30 20 CHED N#C[C@@H]1CCC[C@H]1/N=C(/O)Nc1cccc2ccsc12 329740351 NZCXDKFUJRKCSL-NWDGAFQWSA-N 285.372 3.919 30 20 CHED CC[C@H](C)CCC(=O)Nc1ccc(C#N)c(C#N)c1C 421559131 NXDKTIQATFADQX-NSHDSACASA-N 269.348 3.503 30 20 CHED N#CCC[C@H](C#N)CN1CCCC2(CCCCC2)CC1 190318706 ITCCMEYXHRVYSW-MRXNPFEDSA-N 273.424 3.866 30 20 CHED C=CCSCCNCc1cc(C)cc(Cl)c1 382315794 RMUYFYJDCSOKSR-UHFFFAOYSA-N 255.814 3.657 30 20 CHED COc1ccc(CN2CCC[C@@H]3CCCC[C@H]32)cc1C#N 228162812 GJJSGEFJHOTJJI-DOTOQJQBSA-N 284.403 3.721 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2cc(C#N)cs2)c1 84085004 IUQOBQUQCBWDIZ-UHFFFAOYSA-N 270.357 3.513 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](CC)Cc1ccccc1 517753951 UOGAGHROEWHTEV-HOTGVXAUSA-N 259.393 3.726 30 20 CHED Cc1ccccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 336376344 KILFVAMNRPLEPB-UHFFFAOYSA-N 296.345 3.922 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C(/O)c1ncc(C#N)cc1Cl 331177359 FWMLPIUMSYEMSH-YPMHNXCESA-N 291.782 3.880 30 20 CHED N#Cc1ccc(NCc2ccnc(OC3CCC3)c2)c(F)c1 89641582 SRGHUPUVUCMQOL-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CC[C@@H](C)[C@@H](NC(=O)c1cccc(C#N)c1C)C(F)(F)F 511333113 LPDKWWFIHIJMOG-NOZJJQNGSA-N 298.308 3.574 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CCOCC1 335119657 GEQQSXAYZWNVOO-JKSUJKDBSA-N 291.435 3.541 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1oc(CC)nc1C 428469987 XUUOUNMKSRSRKA-UHFFFAOYSA-N 297.402 3.829 30 20 CHED C[C@@]1(/N=C(/O)CCc2cnc[nH]2)CCCc2ccccc21 330024834 KDAQIZOYVLPVNP-QGZVFWFLSA-N 283.375 3.551 30 20 CHED Cc1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1F 334224420 AKTYBAOJEFOEFZ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H](C)C1 332264200 FNJASMFWGTTWBU-NEPJUHHUSA-N 289.354 3.597 30 20 CHED Cc1nccc(N2CCC(CCC#N)CC2)c1Cl 335379851 ONBPGBFSTHULPE-UHFFFAOYSA-N 263.772 3.564 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(N2CCCCCC2)c1 334764456 LEUDFTXJJGKXQK-KSSFIOAISA-N 297.402 3.555 30 20 CHED CC#CCCCC(=O)N1Cc2cc(C)ccc2CC1(C)C 513684540 HKGGURONNMXYQS-UHFFFAOYSA-N 283.415 3.852 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)c(Cl)c1 336566236 PRSVMZJACUIRJH-OAHLLOKOSA-N 278.783 3.707 30 20 CHED C[C@@H]1SCC[C@H]1Nc1ccc(C#N)c(Cl)c1 235379328 RAHJDEQNKURANF-QPUJVOFHSA-N 252.770 3.518 30 20 CHED C=CC[C@H](C(=O)N(C)Cc1cccc(C)n1)c1ccccc1 427475954 JQBORYUSZMJXQA-SFHVURJKSA-N 294.398 3.708 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)cn1 90665510 FDTQQSIENHQDOV-CXAGYDPISA-N 283.350 3.916 30 20 CHED C[C@H](Nc1ccc(OC(F)F)cn1)c1cccc(C#N)c1 91729472 VITJYYOOFDJJAL-JTQLQIEISA-N 289.285 3.728 30 20 CHED C[C@@H](CC#N)N(C)Cc1cnc(-c2cccs2)s1 93090882 UOAWZLUEWBMGLT-JTQLQIEISA-N 277.418 3.606 30 20 CHED CN(Cc1ccc(C#N)cc1Cl)c1ccccc1 162855934 NKVHHLZWKCHDPR-UHFFFAOYSA-N 256.736 3.848 30 20 CHED C=C1CCN(C(=O)c2cc(Oc3ccccc3)ccn2)CC1 334711654 WKOPQJPWVFAXDT-UHFFFAOYSA-N 294.354 3.666 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 430304214 KGLIDXKSYCFVMN-MRXNPFEDSA-N 288.366 3.589 30 20 CHED Cc1cnc(C/N=C(/O)[C@@H]2CCSc3ccccc32)o1 330117377 WYHMWLRSERUGPQ-GFCCVEGCSA-N 288.372 3.719 30 20 CHED CCN(Cc1cccc(-c2ccncc2)c1)C[C@@H](C)C#N 91983445 KJJUFXVBVBKWLL-HNNXBMFYSA-N 279.387 3.730 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C(=O)O)c1ccccc1 520240260 PVUPLOGNWWEMEX-QGZVFWFLSA-N 287.403 3.881 30 20 CHED C[C@@H](F)CCSc1nc(C(F)(F)F)ccc1C#N 349815879 GZCPLRVNGAQGPQ-SSDOTTSWSA-N 278.274 3.812 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@@H]2CCc3ccccc32)no1 346520545 AYYWDTZIXFGHTK-PMPSAXMXSA-N 296.370 3.596 30 20 CHED C[C@H]1C[C@@H](C)CN(Cc2ccc(C#N)cc2OC(F)F)C1 437439253 ODTYWRRICGZADU-TXEJJXNPSA-N 294.345 3.638 30 20 CHED CCn1c(S[C@@H](C#N)C2CC2)nnc1-c1cccc(C)c1 601072688 PLDXMDICICJUIM-AWEZNQCLSA-N 298.415 3.668 30 20 CHED C=CCC[C@@H](C)NCc1ccccc1N(C)C(C)C 437085708 HEIGUISFYQNQPJ-OAHLLOKOSA-N 260.425 3.976 30 20 CHED N#Cc1ccc(Sc2nccc(C#N)c2Cl)cc1 341708513 XGRDFKUTEZDBLH-UHFFFAOYSA-N 271.732 3.630 30 20 CHED C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C 437577360 JVPBTSVYUJUNME-STQMWFEESA-N 297.320 3.525 30 20 CHED N#CC1(F)CCN(Cc2ccc(-c3ccccc3)o2)CC1 348717519 UMFMQHRLVQSAMK-UHFFFAOYSA-N 284.334 3.774 30 20 CHED Cc1ccc(S[C@H](C#N)Cc2ccccc2)nc1 603725812 KJMTXPIANFXOPA-AWEZNQCLSA-N 254.358 3.617 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](CC)c1ccccc1 341185708 AYHAPXGTAZEJPQ-WBVHZDCISA-N 288.435 3.540 30 20 CHED Cc1cccc(F)c1NCc1ccc(F)c(C#N)c1 182750105 FJNVBTKONVSJDK-UHFFFAOYSA-N 258.271 3.757 30 20 CHED COCCOc1c(Cl)cccc1NC[C@@H](C)CCC#N 602494781 UXNGQHWFIFSPQC-LBPRGKRZSA-N 296.798 3.717 30 20 CHED CCc1sc(C(=O)NCC(C)(C)CCC#N)cc1C 345990643 JKQIPPULCDTFNU-UHFFFAOYSA-N 278.421 3.679 30 20 CHED C[C@@H](CCC#N)CNc1ccc(-n2cccn2)c(Cl)c1 602494561 HCMKATFTIXGNOR-LBPRGKRZSA-N 288.782 3.877 30 20 CHED C=CCOc1ccccc1-c1nc(-c2ccoc2)no1 347122179 LUBHEAXMPXYLLA-UHFFFAOYSA-N 268.272 3.561 30 20 CHED CN(Cc1ccc(F)cc1F)c1cccc(F)c1C#N 603438497 XISIBYQFOYRULW-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C[C@@H](CCC#N)CNc1ccc([C@@H]2CCOC2)cc1 602677120 TYTACTKGOIDCOG-DZGCQCFKSA-N 258.365 3.542 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccsc2)cc1[N+](=O)[O-] 255428283 LKZUXLLBZJOALB-PLNGDYQASA-N 273.313 3.861 30 20 CHED C[C@H](NC(=O)c1ccccc1CC#N)[C@@H](C)c1ccccc1 601273256 RYHOXGPMPXUBKG-CABCVRRESA-N 292.382 3.675 30 20 CHED O=C(/C=C\c1cncs1)c1cccc(OC(F)(F)F)c1 254990278 KOKBYLVTJHNRND-PLNGDYQASA-N 299.273 3.938 30 20 CHED C[C@@H]1c2cc(F)cc(F)c2CCN1CC1(CC#N)CC1 602789480 VSMVGRLYFQOHFN-LLVKDONJSA-N 276.330 3.578 30 20 CHED C=C(C)CN(C)Cc1ccc(Br)s1 53149173 LFRADKJSIJAJKB-UHFFFAOYSA-N 260.200 3.519 30 20 CHED CCO[C@@H]1C[C@@H](N[C@@H](CC)c2ccc(C#N)cc2)C12CCC2 447540326 CITUNQQNVIZCRL-RCCFBDPRSA-N 298.430 3.947 30 20 CHED CC[C@H](F)CN(CCC(F)(F)F)CC(F)(F)F 440494294 IILPAIXOYWMCGN-ZETCQYMHSA-N 269.204 3.551 30 20 CHED N#Cc1cc(Cl)ccc1CN(C#N)c1ccc(F)cc1 440605392 LNXWOPQPJQGONF-UHFFFAOYSA-N 285.709 3.838 30 20 CHED CCN(CCc1cccs1)Cc1cc(C#N)cs1 351659767 SQZLOFQVTLHSJU-UHFFFAOYSA-N 276.430 3.746 30 20 CHED C[C@@H](CCC#N)CNCCc1cc2ccccc2s1 602676534 SMMAIEPBBIEQCN-ZDUSSCGKSA-N 272.417 3.973 30 20 CHED CC(C)(C)c1ccc(OCCN[C@@H]2CC[C@H](C#N)C2)cc1 442764619 CUHHYKWIBCBTQT-GOEBONIOSA-N 286.419 3.645 30 20 CHED Cc1ccc2c(CC(=O)N[C@](C)(C#N)CC(C)C)coc2c1 533875353 GSAYUIDYDXYCBQ-SFHVURJKSA-N 298.386 3.728 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1ccc(C#N)cc1F 533309188 MYLLRQMXZSLFEE-ATCWAGBWSA-N 260.356 3.612 30 20 CHED C=C(C)CCNC(=O)c1sc(-c2cccs2)nc1C 448550905 MRNZIAOUIKEUAU-UHFFFAOYSA-N 292.429 3.876 30 20 CHED C=CCN(CCC#N)C(=O)CCc1ccc(CC(C)C)cc1 359398630 AGNMAIXJEZOVDP-UHFFFAOYSA-N 298.430 3.746 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](CC3CC3)C2)cc1 359674384 ICLOOQHATIMAGU-OAHLLOKOSA-N 296.414 3.750 30 20 CHED C=CCN(C(=O)CC(C)(C)CC(C)=O)c1ccccc1 615001812 JKMMEPHKFUNUNS-UHFFFAOYSA-N 273.376 3.601 30 20 CHED CC(C)c1cnc(CN2CCCC(C)(C)[C@H]2C#N)s1 446975187 PUFXRZGHWZBCCW-CYBMUJFWSA-N 277.437 3.781 30 20 CHED CC(C)(C#N)c1ccc(-c2nc(-c3cncs3)no2)cc1 350242357 GSQXMPSBFRMLDR-UHFFFAOYSA-N 296.355 3.661 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)Cc1ccsc1 610905870 FBRTVLWUIYRDMP-LLVKDONJSA-N 299.399 3.681 30 20 CHED CC[C@@H](N[C@H](C)c1c(C)noc1C)c1ccc(C#N)cc1 618567971 BCUALCFULDZUGE-BDJLRTHQSA-N 283.375 3.965 30 20 CHED C[C@H](CCc1ccco1)NC1CCC(C)(C#N)CC1 449058148 GRSXNDWKAPKOFU-VQCLRJIVSA-N 260.381 3.663 30 20 CHED CC(C)(C)c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1 614970270 ZGLNVHUFPVGQCV-AWEZNQCLSA-N 296.374 3.580 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cccc(CCC(=O)O)c1 263514871 OJDPAJMJWMPBIG-OLZOCXBDSA-N 261.365 3.716 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CCC[C@H]1C)c1ccccc1 535187272 WDGRBPKTPUBGRH-PVAVHDDUSA-N 271.404 3.899 30 20 CHED CCN(Cc1ccc(Cl)cc1)C(=O)NCCCCC#N 264177049 XPUMJYVHXSAMCJ-UHFFFAOYSA-N 293.798 3.565 30 20 CHED Cc1ccc(CN(CC(C)(C)CCC#N)C2CC2)o1 611254247 FOJZQDWIQDFIEO-UHFFFAOYSA-N 260.381 3.882 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1c(F)cccc1Cl 450036126 VCMONEJSZXFPLW-SECBINFHSA-N 269.747 3.869 30 20 CHED C=CCC1(CN[C@H]2C[C@@H](C)n3ccnc32)CCCC1 453387896 WESJGQPGRHXAKK-KGLIPLIRSA-N 259.397 3.615 30 20 CHED C=C[C@@H](S[C@H](CC)c1ccccc1)C(=O)OC 619689569 OQZYFLIJIYIAEQ-CHWSQXEVSA-N 250.363 3.599 30 20 CHED CC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(F)F 453253948 XNMRWYQPWXPTNW-CABCVRRESA-N 278.346 3.959 30 20 CHED N#CCCCC(=O)NCc1cccc(Oc2ccccc2)c1 360005288 IHTFIXJVKDPZFG-UHFFFAOYSA-N 294.354 3.789 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@@H](C)c1ccc(F)cc1F 611030142 PABRLJRXMXEKOI-YPMHNXCESA-N 294.345 3.513 30 20 CHED N#CCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 270286182 NDKMDNJMUKRNOL-SFHVURJKSA-N 290.366 3.634 30 20 CHED C=CC[C@H](C)NC(=O)C(C)(C)Cc1ccc(Cl)cc1 457560825 BQJOBDUQTAGKCN-LBPRGKRZSA-N 279.811 3.990 30 20 CHED C=C(C)CCNC(=O)N1CCC(c2ccccc2)CC1 455305650 FLWFHISSTDLCHD-UHFFFAOYSA-N 272.392 3.542 30 20 CHED C=CCC1(C(=O)NCc2cscc2C)CCCC1 451237681 CITFSWLSYBQAAR-UHFFFAOYSA-N 263.406 3.809 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NCCCC2(C#N)CCOCC2)C1 452057915 HLGKIGFJYNNILF-YESZJQIVSA-N 292.467 3.891 30 20 CHED Cc1ccc(SC[C@H](C)NC(=O)CC(C)(C)C#N)cc1 278882653 WLNVXBNPQVTXKF-ZDUSSCGKSA-N 290.432 3.532 30 20 CHED CC[C@@H](NCCCC(F)(F)F)c1ccc(C#N)cc1 278664993 IXRJVRKQRDIIHG-CYBMUJFWSA-N 270.298 3.941 30 20 CHED CCC1(CNC(=O)NCc2ccc(C#N)cc2)CCCCC1 546589714 KZEKAVOIYDRUKD-UHFFFAOYSA-N 299.418 3.718 30 20 CHED CC(C)[C@H]1CN(C[C@@H](C#N)CCC#N)c2ccccc21 278041428 CMMVEKVPAJOEKR-GDBMZVCRSA-N 267.376 3.690 30 20 CHED C=CCOc1ccc(CNC(=O)[C@]2(C)CC=CCC2)cc1 451884806 DPQRYAXVZRTOOP-GOSISDBHSA-N 285.387 3.614 30 20 CHED C=C(CC)CNC(=O)CCCOc1ccccc1Cl 456824981 GAZPURANNSYZQL-UHFFFAOYSA-N 281.783 3.581 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2ccc(CC#N)cc2)C1 270418154 SUWZXABMWFPNOW-INIZCTEOSA-N 284.403 3.651 30 20 CHED C=CCN(C(=O)c1oc2ccccc2c1CC)C1CC1 450385185 DNIOFIMGTBFXOQ-UHFFFAOYSA-N 269.344 3.786 30 20 CHED COc1ccc(C[C@H]2CCCN(CCCCC#N)C2)cc1 369620496 XQWMBVXAOCDHDB-QGZVFWFLSA-N 286.419 3.644 30 20 CHED N#Cc1ccc(CNCCCSc2ccccc2)s1 540510210 WFPDUDXLPWFMIV-UHFFFAOYSA-N 288.441 3.892 30 20 CHED CCCCCCCC(=O)N1CC[C@H](c2ccco2)C1 377611285 KBJJIDQWDMWLEN-AWEZNQCLSA-N 263.381 3.956 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CC(C)(C)C#N)C1 279292272 POHZERDTOPYINY-SWLSCSKDSA-N 288.366 3.675 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)OCC 270027430 KMSHTNBGWVGIOF-AWEZNQCLSA-N 292.766 3.521 30 20 CHED C=CC[C@H]1N(C(=O)c2cncc(C)c2)CCCC1(C)C 278143920 ATNWWZXJLPLJRP-OAHLLOKOSA-N 272.392 3.597 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(F)cc1F 622874331 OOBXEQJOPXUUBX-NSHDSACASA-N 299.386 3.870 30 20 CHED C[C@H](C(=O)N1CCC2(CCCCC2)C1)c1cccc(C#N)c1 462148143 KRSYSCCSUMGBOW-HNNXBMFYSA-N 296.414 3.845 30 20 CHED C=CCCN(C)C(=O)c1ccc(OC)cc1OCCCC 467067351 AMAGWNPYIPHEDC-UHFFFAOYSA-N 291.391 3.522 30 20 CHED COC[C@@H](NCCCC(C)(C)C#N)c1cccc(Cl)c1 288779961 KILYDEIXNCPULJ-OAHLLOKOSA-N 294.826 3.947 30 20 CHED CN(C)Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1Cl 281634601 OOZFYKMVQWGSAG-OCCSQVGLSA-N 291.826 3.896 30 20 CHED C[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1cccs1 461767835 BXNPHNGRGBLKJE-NEPJUHHUSA-N 284.384 3.601 30 20 CHED C=CCCC(C)(C)NC(=O)C1(Cc2ccccc2)CC1 622980740 KOSMBTWVKALOJS-UHFFFAOYSA-N 271.404 3.870 30 20 CHED C=CCCCC(=O)N1CCC(c2ncccc2Cl)CC1 375931971 MBOBWDJSBMBYMJ-UHFFFAOYSA-N 292.810 3.797 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccccc1-n1ccnn1 552277389 SRRCSPAOAYSLGK-HUUCEWRRSA-N 284.407 3.663 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1Cl 464154179 UXUCILSVRBUGSK-OAHLLOKOSA-N 278.783 3.707 30 20 CHED CC[C@H](Nc1cc(C#N)ccn1)c1ccc(OC)c(OC)c1 286518651 ZJTGSMDRDFYHBE-AWEZNQCLSA-N 297.358 3.534 30 20 CHED C=C(C)CN(CC)c1nnc(C(C)(C)C)n1CC(=C)C 460566793 TWNLLEORTRTIIQ-UHFFFAOYSA-N 276.428 3.554 30 20 CHED CC#CCCCC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 466642207 PHAXLIBTXLDEIL-FZKQIMNGSA-N 287.378 3.759 30 20 CHED Cc1cc(=N[C@H](c2ccc(F)cc2)C(C)C)cc(C#N)[nH]1 552909678 LQNPRTWPKWFENW-KRWDZBQOSA-N 283.350 3.632 30 20 CHED CC(C)c1ccoc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 284161651 JXLAATOIJWPMBA-WBMJQRKESA-N 274.364 3.605 30 20 CHED C=CCC[C@H](NCC(C)(C)OCC)c1ccco1 287522387 OPLKDYKTIFHGDA-ZDUSSCGKSA-N 251.370 3.692 30 20 CHED Cc1ccc(C(=O)N2CCCc3cc(C#N)ccc32)s1 297837495 RCXZVJOGKQWJGM-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C=CCOCCCN(CC)[C@H](C)c1cccc(OC)c1 470719638 JWDRSGFACKZVOG-OAHLLOKOSA-N 277.408 3.671 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(Cl)ccc1C 299320208 OXMDDKPVXXKQME-LLVKDONJSA-N 267.756 3.568 30 20 CHED C=CCSc1ccccc1C(=O)N(C)[C@@H](C)C1CC1 630639863 LGSNIKQNCFWDRI-LBPRGKRZSA-N 275.417 3.835 30 20 CHED Cc1nsc(NCc2c(O)ccc3c2CCCC3)c1C#N 807984748 FDLJWXWXUWYERC-UHFFFAOYSA-N 299.399 3.520 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1c1ccsc1 291098634 TWWONTYABOWSSQ-CQSZACIVSA-N 288.420 3.566 30 20 CHED C#C[C@@H](NC(=O)[C@H]1CCc2c(Cl)cccc21)C(C)(C)C 807882452 QAFHDWUBZXVJIO-DZGCQCFKSA-N 289.806 3.534 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(CN(CC)CCC)cc1 479336656 AMNFHHWDAAZMOB-UHFFFAOYSA-N 288.435 3.567 30 20 CHED C=CCCCCNC(=O)N(C1CC1)[C@@H](C)c1ccco1 474080644 MMWKHCSRULHPKE-ZDUSSCGKSA-N 276.380 3.871 30 20 CHED Cc1cccc(CCCSCCO[C@H](C)C#N)c1 802752119 OGSPEZSXNFTRHP-CQSZACIVSA-N 263.406 3.590 30 20 CHED C=CCC[C@H](O)CN1CCCCC[C@H]1c1ccc(C)o1 472588942 LMHMDJFGQCWDCB-HOTGVXAUSA-N 277.408 3.832 30 20 CHED CCC(CC)OC(=O)C(C)(C)c1cc(F)cc(C#N)c1 803924996 DJTZXQZMDTWMMX-UHFFFAOYSA-N 277.339 3.707 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@@H]1Nc1cc(C#N)ncn1 566775140 YOKWAKHJJSIMML-CRAIPNDOSA-N 292.386 3.720 30 20 CHED O=C1/C(=C/c2cnccn2)Cc2c1ccc(Cl)c2Cl 809154502 WUFOJKYKIMUOBO-VMPITWQZSA-N 291.137 3.606 30 20 CHED C=CCn1c(N2CC[C@H](C)C[C@@H](C)C2)nnc1C(C)(C)C 566037992 YLTBOGTWFPZNCV-UONOGXRCSA-N 290.455 3.634 30 20 CHED C=CCC1(C(=O)NCCOc2c(C)cccc2C)CCC1 478676421 KLLZLZHFGMPNAK-UHFFFAOYSA-N 287.403 3.545 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1C(C)C)C(C)(C)C 808482157 KNJFQWTXAPFYAL-HNNXBMFYSA-N 272.392 3.979 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc2c(c1)C(=O)OC2 809788027 GSNKQOZTMRUDGF-CYBMUJFWSA-N 259.349 3.904 30 20 CHED Cc1oc2ccc(NC(=O)CCCC#N)cc2c1C 291977916 UFLOXPIJCOGSSP-UHFFFAOYSA-N 256.305 3.682 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnn(CC(F)F)c2)cc1C 292420770 ZXKGWFSETHANOO-GQCTYLIASA-N 290.313 3.661 30 20 CHED C[C@@H](C#N)OCCOc1ccc(Cl)cc1C(F)(F)F 802732496 MMSWDQINSSRITH-QMMMGPOBSA-N 293.672 3.666 30 20 CHED C#C[C@H](NC(=O)c1ccc(SC(F)F)cc1)C(C)(C)C 807878727 ZWLKVJJKOBSKMD-LBPRGKRZSA-N 297.370 3.779 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)s1 487342308 YCWKNCBRODUPDS-WCQYABFASA-N 276.405 3.708 30 20 CHED CC1(C)CCC[C@@H]1CN[C@H]1CCc2ccc(C#N)cc21 569950415 OTWIHTGNVHTGAZ-WBVHZDCISA-N 268.404 3.961 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 817884447 LIUPLFXRGWMFND-UHFFFAOYSA-N 286.334 3.711 30 20 CHED CC#CCCNC(=O)c1ccccc1NC1CCCCC1 480747551 DLILZQRKSVKFLL-UHFFFAOYSA-N 284.403 3.574 30 20 CHED CCCCCC(C)(C)C(=O)N(C)CC(C)(C)C#N 817618055 RLOHLJACVUHEPP-UHFFFAOYSA-N 252.402 3.601 30 20 CHED CCN(CC)c1ncc(C=NNc2ccccc2F)s1 812460305 NLVVEKXNXRWYHK-UHFFFAOYSA-N 292.383 3.574 30 20 CHED C=CCOCc1nc([C@@H](c2ccc(C)cc2)C(C)C)no1 564280871 RMYPXOKGVIUSCA-MRXNPFEDSA-N 286.375 3.869 30 20 CHED C=CCC[C@@H](NC[C@H](C)N1CCC(C)CC1)c1ccco1 569754099 FIDJKVBQYNALHV-DLBZAZTESA-N 290.451 3.997 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc(-c2ccc(CC)cc2)no1 489493991 ISAFXILXXQELCX-MRXNPFEDSA-N 297.402 3.840 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C2CCC2)cc1 489785873 AOFUABMOIWYGGM-UHFFFAOYSA-N 258.365 3.994 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(CN(C)C)cc1 814814945 GRRGLQCJDRNJLG-HNNXBMFYSA-N 295.430 3.823 30 20 CHED COc1ccc(NN=C(C)c2ccc(CN(C)C)cc2)cc1 814884955 GAWFSHZAHQMITC-UHFFFAOYSA-N 297.402 3.593 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccc(O)c(C)c1 814946609 SKXLEOPDXRAKID-UHFFFAOYSA-N 294.276 3.954 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1 488887965 XOLITGVUCQNYSN-NCOADZHNSA-N 293.451 3.927 30 20 CHED C#CCON=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 812233418 QREIEZWYRVDEAT-LBPRGKRZSA-N 281.277 3.979 30 20 CHED C=CCCCCCCCNC(=O)c1c(C)nn(C)c1Cl 813257245 VLUQMUMAQGLQMC-UHFFFAOYSA-N 297.830 3.638 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2CCCc3ccccc32)c1 728482302 AFZHXLRBMRINGM-LJQANCHMSA-N 289.378 3.751 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] 571967009 HRJIPVCSBKSHEG-SGMGOOAPSA-N 285.347 3.847 30 20 CHED CCCC[C@@H]1CCC[C@H]1/N=C\c1ccc(O)c(O)c1O 727781881 ZHQOQWKIQRUCSM-VNYHSAJNSA-N 277.364 3.581 30 20 CHED Clc1cncc(NN=Cc2ccc(C3CCC3)cc2)n1 814797595 LLSWHOVSKGFWNI-UHFFFAOYSA-N 286.766 3.844 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@@H](C2CC2)C1)c1ccccc1 489616189 CZIIGFBDQWGLOM-QZTJIDSGSA-N 283.415 3.995 30 20 CHED Cc1ccc2ncc(C#N)c(O[C@@H]3C=CCCC3)c2c1 488269628 YTYYRWNWFMOSLA-CQSZACIVSA-N 264.328 3.902 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2Cc2ccc(C#N)cn2)c1 576527344 XVQXVWPOJUCRDD-LJQANCHMSA-N 291.398 3.907 30 20 CHED Clc1cccc(C=NNc2nc(-c3ccccc3)no2)c1 726739083 CHRDBYFAVIAXTQ-UHFFFAOYSA-N 298.733 3.836 30 20 CHED C=CCCCCOC(=O)[C@@H](C)CC(=O)c1cccc(F)c1 811011806 NFDOQKXTBKIEPU-ZDUSSCGKSA-N 292.350 3.934 30 20 CHED O=C1c2ccccc2CCN1N=CCC1CCCCC1 814892836 RATKBNRMEGDCCT-UHFFFAOYSA-N 270.376 3.641 30 20 CHED C=C(C)CN(CC)C(=O)CCCc1ccc(F)cc1 577646669 SHJLAXZBTFWGBP-UHFFFAOYSA-N 263.356 3.573 30 20 CHED C=C(Br)CN1CC[C@H](c2ccccc2C)C1 726071868 PVPPMOJRBMJHEF-ZDUSSCGKSA-N 280.209 3.693 30 20 CHED N#Cc1c(F)cccc1S[C@@H]1CCCCCC1=O 657261230 YUKCNLNNUPFQQJ-CQSZACIVSA-N 263.337 3.691 30 20 CHED C=CCC1(NCc2cnc3cccc(C)n23)CCCC1 657703105 SXUMMJXTPMFDLX-UHFFFAOYSA-N 269.392 3.621 30 20 CHED CC(C)(C)CCCC(=O)OCCOc1ccc(C#N)cc1 729026683 GSVTWZRISZCCMC-UHFFFAOYSA-N 289.375 3.697 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1CCc2ccccc2N1 653232616 GGQITJOOUQAKJO-ZBFHGGJFSA-N 286.419 3.522 30 20 CHED CC(Cc1cccs1)=NNc1ncccc1Cl 729637738 SCASQPDHHAWBFE-UHFFFAOYSA-N 265.769 3.827 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC[C@@H]2COCC)cc1 574300323 ACRBZACQOKRZFU-AEFFLSMTSA-N 289.419 3.546 30 20 CHED C=C(C)CNC(=S)N[C@H]1CCC[C@@H]1CCC(C)C 727784025 ATEHJXLBNSYXQK-KGLIPLIRSA-N 268.470 3.632 30 20 CHED N#CCCNCCOc1c(Cl)cc(Cl)cc1Cl 572834444 KFEGUWUWQVLNOV-UHFFFAOYSA-N 293.581 3.529 30 20 CHED C=CCC1(N[C@@H](CC)Cc2ccccc2)CCOCC1 668551915 ZUQDUPKMHSMAMK-KRWDZBQOSA-N 273.420 3.723 30 20 CHED CCCc1cc(C(=O)N(C)CC(C)(C)C#N)sc1C 497278018 UBDIGRWZZRHELR-UHFFFAOYSA-N 278.421 3.631 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1nc2c(s1)CCC2 666459492 BIPNPCDVBGYTQS-OAHLLOKOSA-N 298.455 3.909 30 20 CHED C=CCC1(c2nc(-c3ncccc3OC(C)C)no2)CCC1 664993012 KMBWFKZIMBOVIU-UHFFFAOYSA-N 299.374 3.917 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1 822818989 MHMQDQOQPCLYBD-UHFFFAOYSA-N 286.419 3.505 30 20 CHED N#CCCC1CCN(c2nc(-c3ccccc3)ns2)CC1 581068645 FWZFKLZFKUYQDH-UHFFFAOYSA-N 298.415 3.725 30 20 CHED C=CCCCC(=O)Nc1scc(C2CC2)c1C(=O)O 825671559 TYCJRJBYVKUXAF-UHFFFAOYSA-N 279.361 3.619 30 20 CHED C#CCOc1ccccc1NCc1coc(C(C)(C)C)n1 901403277 LJHRIYQFLJKEOB-UHFFFAOYSA-N 284.359 3.596 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 589341743 NVJYTNCGWUMMFI-QFYYESIMSA-N 281.359 3.501 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1cncn1C(C)C)C2=O 901459863 ULQMNHDLDSTEGD-AUWJEWJLSA-N 296.370 3.740 30 20 CHED C=CCC[C@@H](NC1CCC(c2ccccc2)CC1)C(=O)O 901691699 BXKYOXLKQUVCLO-OFLPRAFFSA-N 287.403 3.722 30 20 CHED CO[C@H](C#N)c1ccc(-c2cncc(OC(C)C)c2)cc1 906196524 QHOYULVCEJNJBL-QGZVFWFLSA-N 282.343 3.747 30 20 CHED C#C[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 491772075 SXXKIPZYTGBICA-QGZVFWFLSA-N 280.758 3.676 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C(C2CCC2)C2CCC2)C1 839064312 WDPIHCSNPMBQTJ-IUODEOHRSA-N 275.392 3.828 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCO[C@@H](CC)C1 666238492 AUZFMPFDQFREHJ-KURKYZTESA-N 273.420 3.721 30 20 CHED COc1ccc(O)c(/C=N/CC2(c3cccc(F)c3)CC2)c1 739424997 AICCQKSLOKXITJ-RGVLZGJSSA-N 299.345 3.691 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cc(C)nc2ccccc12 839043289 PWBAXWKUMBEQFX-CYBMUJFWSA-N 267.328 3.502 30 20 CHED C/C=C(\C)C(=O)Nc1scc(C(C)(C)C)c1C#N 839370666 YRDDTPMYRRAXHP-RMKNXTFCSA-N 262.378 3.822 30 20 CHED CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)CC#N)o2)cc1 733710997 QBSGDEZLESOVCO-LLVKDONJSA-N 297.310 3.608 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)n1 835201097 SJWOJIFLYUEWED-YVECIDJPSA-N 288.416 3.879 30 20 CHED C=CCOc1ccc(CNc2nc(C)cc(CC)n2)cc1 672319556 MTEMHQHXEAVXCS-UHFFFAOYSA-N 283.375 3.524 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cncn1C)CC2 901488915 KBYNEMMVVYPQJC-OVCLIPMQSA-N 280.371 3.756 30 20 CHED C=CCN(CCOc1ccc(C(F)(F)F)cc1)C(C)C 730567686 QDAVQLQHUIVEMY-UHFFFAOYSA-N 287.325 3.981 30 20 CHED Cc1nc(/C=C/C(=O)c2cccc(C3CC3)c2)[nH]c1C 901514610 VUAFRBBSWZXXDP-CMDGGOBGSA-N 266.344 3.800 30 20 CHED Cc1ccc(C[C@@H](C)/N=C\c2cccc(O)c2O)s1 737441202 YZNIPIKMJMSFBW-MQHRVFIMSA-N 275.373 3.518 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(C)c(F)c2)c1C 731490388 WIIDJTCTFKXPAY-HJWRWDBZSA-N 286.350 3.863 30 20 CHED CN(C(=O)/C=C\C1CCCCC1)c1ccc(C#N)cc1F 735438272 XLLXBGMYBJPDPB-NTMALXAHSA-N 286.350 3.797 30 20 CHED CCCCCCCC(=O)Nc1ccc(C2CC2)nn1 734774930 JPRAYWVQZQXTNK-UHFFFAOYSA-N 261.369 3.653 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H]1CCSc2ccccc21 839039545 QLOPFMTWABULAG-OCCSQVGLSA-N 274.385 3.611 30 20 CHED CCn1cc(C(C)=NNc2ccc(C(C)C)cc2)cn1 835018089 GLEVCDCBHSCSDE-UHFFFAOYSA-N 270.380 3.863 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1c[nH]nc1C 835018893 WVPVWHCTPDGAJU-UHFFFAOYSA-N 256.353 3.678 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OC2CCCC2)cc1 679204413 DMVFQBYIDDXJEX-UHFFFAOYSA-N 273.376 3.656 30 20 CHED CCCCCCCCCN(C)c1cnn(C)c(=O)c1Cl 918734954 CMVDWAMCCJDKKY-UHFFFAOYSA-N 299.846 3.621 30 20 CHED CCCCCCCCNCc1cccc(C(=O)N(C)C)c1 914795906 LFLPDEPVDNQKEB-UHFFFAOYSA-N 290.451 3.839 30 20 CHED Cc1csc(-c2cccc(C3(C#N)CCOCC3)c2)n1 594629488 QDJQCQISMMWABG-UHFFFAOYSA-N 284.384 3.690 30 20 CHED CN(C)c1ccc(/C=C2/Oc3ccccc3C2=O)cc1F 742437923 XNYMWWQPGPKUQV-MHWRWJLKSA-N 283.302 3.508 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 598797001 GEYXLFHCRUAYNA-FOLVSLTJSA-N 268.360 3.713 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](C#N)C(C)(C)C 599637761 UYHXRAYIOYTBJS-MRXNPFEDSA-N 296.370 3.923 30 20 CHED C=C(C)CCOC(=O)CSc1ccc(C)cc1C 744304695 YCMFAICXDSTGHI-UHFFFAOYSA-N 264.390 3.905 30 20 CHED C=CC[C@H](NC(=O)N1CCC2(CCCC2)C1)c1ccncc1 745827564 LTKPNOKAWXMVHC-INIZCTEOSA-N 299.418 3.675 30 20 CHED CC(C)CCCCC(=O)Oc1cccc(OCC#N)c1 841343589 FENMCKJWUUDLNO-UHFFFAOYSA-N 275.348 3.711 30 20 CHED C=CCOc1cccc(NC(=O)c2c(C)cncc2C)c1 675443188 TVXSLAWHILZKHA-UHFFFAOYSA-N 282.343 3.516 30 20 CHED COc1ccc(O)c(/C=N\C[C@H](C)c2cccc(C)c2)c1 741165067 FTZVGRHQEIOXFY-YQNUULROSA-N 283.371 3.932 30 20 CHED Clc1cccc([C@H]2CCCC(=NNc3nc[nH]n3)C2)c1 841638500 UWINEBRDOQHPII-NSHDSACASA-N 289.770 3.584 30 20 CHED Fc1cccc(F)c1C=NNCc1cccc2cccnc12 915960098 YTFSNWQWCVXIRP-UHFFFAOYSA-N 297.308 3.637 30 20 CHED N#C[C@@H](C(=O)C[C@H]1C=CCC1)c1nc(C2CC2)cs1 842938626 OFURQHAQCZTVKV-JQWIXIFHSA-N 272.373 3.553 30 20 CHED CC(=NNc1ccccc1)c1cnn(-c2ccccc2)c1 746485000 QKFJOQSAKLQIBY-UHFFFAOYSA-N 276.343 3.708 30 20 CHED CCCN(c1cc(C#N)cnn1)[C@H](CC)c1ccccc1 596095860 SOEQFPBCXXIXFD-MRXNPFEDSA-N 280.375 3.716 30 20 CHED C=CCC[C@H](NC[C@H](OC)C(C)(C)C)c1ccco1 671749546 HDERZHCWWWIJJK-ZFWWWQNUSA-N 265.397 3.938 30 20 CHED CC(C)CC[C@@H](C)NC(=O)CC1(C#N)CCCCC1 596711858 UYMDHUVTOPJXHW-CQSZACIVSA-N 264.413 3.791 30 20 CHED CC#CCOC(=O)c1sccc1-c1ccc(C)cc1 744521350 UJIRBYXURCGXOM-UHFFFAOYSA-N 270.353 3.904 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(CNC)cc1 841329462 GNWVIEYZKMRJDE-UHFFFAOYSA-N 289.423 3.664 30 20 CHED COc1ccc2c(c1)C(=NNc1ccc(F)cc1)CC2 747626167 WDCIEWXRYYPSPU-UHFFFAOYSA-N 270.307 3.597 30 20 CHED CC(C)n1cc(/C=C2/CCc3cc(C#N)ccc3C2=O)cn1 742437649 PBTIUSGYBLEDBM-PXNMLYILSA-N 291.354 3.548 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc2c(ccn2CCC)c1 844532412 SDZHWLHBCWMIOI-GFCCVEGCSA-N 287.363 3.679 30 20 CHED CSCCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842941759 JYDOIIKXFMPXBD-NSHDSACASA-N 294.445 3.730 30 20 CHED CC(=O)c1ccc(C(=O)OCCC2(C#N)CCCCC2)o1 840499713 PZNWWOXADAJDGX-UHFFFAOYSA-N 289.331 3.503 30 20 CHED C#Cc1cccc(NC(=O)[C@@]2(C)CCc3ccccc3C2)c1 742507405 CYVJKUCTJDQEHC-FQEVSTJZSA-N 289.378 3.802 30 20 CHED CCCCO[C@@H]1CC(=NNc2nccnc2Cl)C1(C)C 747631102 AAVFPDJGCDPMAL-LLVKDONJSA-N 296.802 3.513 30 20 CHED C=C(C)CCOC(=O)Cc1cccc(OC(C)C)c1 744304016 KLMJEWXZSWZGBB-UHFFFAOYSA-N 262.349 3.526 30 20 CHED CCc1cc(OC(=O)Cc2ccc(C#N)cc2)ccc1Cl 749785159 HFLFGSBQBMVROA-UHFFFAOYSA-N 299.757 3.922 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCc1ccc(F)cc1 748935041 CPBJMZNFQVEGGZ-UHFFFAOYSA-N 297.329 3.682 30 20 CHED COc1ccc(CCCN(C)[C@@H](C#N)c2ccccc2)cc1 595295642 NQVQQGHTOMVWFX-IBGZPJMESA-N 294.398 3.824 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C)CC(C)(C)C 684783186 UQFYVPKOLRFVAW-YCPHGPKFSA-N 281.440 3.546 30 20 CHED CC(C)CCC[C@@H](C)NC(=N)NCC(C)(C)CCC#N 849028931 OWOADPKRKREDIE-CQSZACIVSA-N 280.460 3.645 30 20 CHED C#CCCCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F 742788977 KNTWAHBWBJJADV-UHFFFAOYSA-N 295.357 3.944 30 20 CHED C=CCOCCCC(=O)O[C@@H](CC)c1ccc(F)cc1F 744169009 SDDMCYSLJZGONJ-HNNXBMFYSA-N 298.329 3.942 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccc2c(c1)COC2 742436252 ILDHKUDNVKBAGJ-VOTSOKGWSA-N 296.370 3.634 30 20 CHED CCOc1ccc(O)c(/C=N/CCC2CC(F)(F)C2)c1 840711078 UXCHALXXGLXTFE-VCHYOVAHSA-N 283.318 3.645 30 20 CHED C(=NNc1nc2ccccc2[nH]1)c1ccc2ccccc2n1 741452573 AIZGGIGKLOITRL-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C=C(Cl)CNc1ccccc1N1C[C@H]2CC[C@H]1C2 849317648 YWIGWKDEOQUCPQ-STQMWFEESA-N 262.784 3.840 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@@H](C)c1ncccn1 929131159 MRXSDIPNILYENU-NSHDSACASA-N 293.823 3.941 30 20 CHED Cc1cc(Br)ccc1NN=C[C@@H]1C[C@@H]1C 758369769 JTGAULWIAKSFPN-WPRPVWTQSA-N 267.170 3.811 30 20 CHED CCCCCCCCCCN1CC[C@H](C)[S@](=O)CC1 759871775 WOYAOFQCYFUSOL-QFBILLFUSA-N 287.513 3.970 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)CCc1c(C)noc1C 851142418 QGPASUXKRCDMLG-HOCLYGCPSA-N 291.391 3.902 30 20 CHED Cc1cc(C)nc(NN=Cc2c(C)cc(Cl)cc2C)n1 756871864 DBQUAHMIOLAHQH-UHFFFAOYSA-N 288.782 3.810 30 20 CHED Cc1ccnc(NN=C2CC3(CCC3)Oc3ccccc32)c1 755900771 OZQUZZAQYACPGS-UHFFFAOYSA-N 293.370 3.911 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2ccc(O)c(Cl)c2)c1 757467713 IJKCQPWSUIWYBP-UTCJRWHESA-N 288.730 3.956 30 20 CHED C#CCCCN[C@@H](C)c1ccc(C(F)(F)F)nc1Cl 856776811 IZCPRCDYPNPVRJ-VIFPVBQESA-N 290.716 3.818 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccnc(Br)c1 853333974 NDSUEBPITLNYDP-UHFFFAOYSA-N 295.184 3.572 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C1CCSCC1 851144574 RXLOEHJGXXXEOX-TZMCWYRMSA-N 268.422 3.808 30 20 CHED C[C@H](C=NNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 756871880 DSEHRIQZNNEMBD-LLVKDONJSA-N 287.294 3.935 30 20 CHED CN(C)c1ncc(C=NNc2cccc3ccccc23)s1 755681185 VOTVDXXSOYNEEL-UHFFFAOYSA-N 296.399 3.808 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCO[C@H](c2ccccc2)C1 926179705 GEWYKRMWQZSUSR-PVAVHDDUSA-N 286.419 3.825 30 20 CHED C[C@H](NN=Cc1csc(C2CC2)n1)c1ccccc1 920383120 SQMCKPZBMPMVSN-NSHDSACASA-N 271.389 3.705 30 20 CHED C(=NO[C@@H]1CCCCO1)c1ccc(-c2ccccc2)o1 755821850 PBCFFPICIYZCQS-MRXNPFEDSA-N 271.316 3.824 30 20 CHED Cn1ccnc1C(=O)/C=C\c1ccc(Cl)c(Cl)c1 920963954 YNDYECVSLAHIEA-HYXAFXHYSA-N 281.142 3.623 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 752876634 XZNKDZSNVUPZFO-VMPITWQZSA-N 296.257 3.502 30 20 CHED CCN(C(=O)/C=C(\C)C(C)(C)C)c1ccc(C#N)cc1 753167022 ARNXBISKLGXCER-ACCUITESSA-N 270.376 3.904 30 20 CHED CC/C(=C\C(=O)O[C@H](C#N)CC)c1ccc(C)cc1 753415765 KICHUFCKYJWBAE-VOMSXAGXSA-N 257.333 3.634 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCCC1CCC1 756117765 ADCFEFJHVPZPAX-UHFFFAOYSA-N 290.382 3.714 30 20 CHED CC(C)c1cccc(C=NNCCC(F)(F)F)c1 853341444 PFNKMIGHKUEGDW-UHFFFAOYSA-N 258.287 3.686 30 20 CHED Cc1ccnc(NN=C2CCCc3cc(F)ccc32)c1 755900566 LKMDXBXVEGTITQ-UHFFFAOYSA-N 269.323 3.682 30 20 CHED CCCCCCCNC(=O)c1c(F)ccc(F)c1F 862357361 UPULGQYRSDDEJS-UHFFFAOYSA-N 273.298 3.804 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc2c(F)ccc(Cl)c2s1 869820451 SEXUHGSTNYALFN-ZCFIWIBFSA-N 297.742 3.577 30 20 CHED Cn1c(C=NOCc2ccccc2)nc2ccc(Cl)cc21 763355048 XUOXJSYBILTGQU-UHFFFAOYSA-N 299.761 3.777 30 20 CHED CCSc1cccc(C=NO[C@H]2CCCCO2)c1 769799180 JKMBZHPEIOTPOQ-AWEZNQCLSA-N 265.378 3.676 30 20 CHED Clc1cc(Cl)c2c(c1)CCC2=NNc1ncccn1 764681154 BKCVWMHUCNGYQT-UHFFFAOYSA-N 293.157 3.546 30 20 CHED N#Cc1ccc(C=NNc2c(Cl)cccc2Cl)o1 763187543 CPZOEOSWLWPCQN-UHFFFAOYSA-N 280.114 3.904 30 20 CHED C=CCCc1ccccc1NC(=O)c1cc(C2CC2)nn1C 935833608 YVYRSYZKZYLXEK-UHFFFAOYSA-N 295.386 3.668 30 20 CHED CCc1nc2ccccc2n1N=C[C@H]1CC=CCC1 767359226 GPFNNORPCUUSDD-ZDUSSCGKSA-N 253.349 3.789 30 20 CHED C[C@@H](OC(=O)C(C)(C)c1cccnc1)c1cccc(C#N)c1 760204540 LSCBMVMRNARNMY-CYBMUJFWSA-N 294.354 3.535 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cn(C)nc1C(C)(C)C)C2=O 769606278 CZFBEQVOVMUTIV-UVTDQMKNSA-N 294.398 3.848 30 20 CHED COc1ccc(NC(=S)Nc2cccc(C#N)c2C)cc1 769795554 NRUKJOUOAHXARK-UHFFFAOYSA-N 297.383 3.684 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2ccc(Cl)s2)c1 766501373 FWNURBSLWWQWPU-RQOWECAXSA-N 296.731 3.677 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccncc1 766019954 OAARFCFVZIZPJC-BBRMVZONSA-N 296.370 3.778 30 20 CHED C[C@@H]1CCCCC1=NNc1cc(C#N)cc(Cl)n1 768381549 JFDGXLFTFKSEIM-SECBINFHSA-N 262.744 3.585 30 20 CHED COc1ccsc1/C=C1/Cc2ccc(C)cc2C1=O 764432185 JZELRUVEGVCFNC-XFXZXTDPSA-N 270.353 3.888 30 20 CHED Clc1ccc2c(c1)C(=NO[C@H]1CCCCO1)CCC2 761270915 DVDUITPZVQZFMC-HNNXBMFYSA-N 279.767 3.924 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1nc2ccccc2s1 877045969 HNINZTFKRLCGDE-NEPJUHHUSA-N 273.405 3.887 30 20 CHED Fc1ccc(C=NOCCC(F)(F)F)c2ncccc12 777462435 BCKPMJMNMQZJMG-UHFFFAOYSA-N 286.228 3.677 30 20 CHED C#CCCCCCC(=O)NC(C)(C)c1cccs1 779948974 GUFIJDYHWOYZOB-UHFFFAOYSA-N 263.406 3.683 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(F)c2)cc1F 776727250 UCUKIPIFPSOLOP-DAXSKMNVSA-N 269.250 3.733 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1 1117795992 VWWGEWPEVHOOGX-HZPDHXFCSA-N 297.402 3.911 30 20 CHED Cc1ccc(Br)c(F)c1CNCCCCC#N 873042873 RHIJOULIHIQSCE-UHFFFAOYSA-N 299.187 3.680 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C[C@@H]1C=CCCC1 777746311 IHEPBXMHTSXQCN-CQSZACIVSA-N 269.344 3.656 30 20 CHED CCC(CC)c1noc(-c2cccc(C#N)c2C)n1 1117589583 AWTWCNFKRFBDFP-UHFFFAOYSA-N 255.321 3.820 30 20 CHED C=CCC[C@H](C(=O)OC[C@H]1CCCCO1)c1ccccc1 777412847 VVVWVRYJFXIVEK-SJORKVTESA-N 288.387 3.849 30 20 CHED CCCC(CC)=NNc1oc(CC(C)C)nc1C#N 776180455 NDHFSZOZVVRDSV-UHFFFAOYSA-N 262.357 3.723 30 20 CHED C=C(Cl)CN[C@@H](c1ccc(F)c(C)c1)C1CC1 774450596 UYKHGUPNEJCVBN-CQSZACIVSA-N 253.748 3.927 30 20 CHED C[C@@H](Oc1cccc(Cl)c1)C(=O)OCCC(C)(C)C#N 776367357 XMYAAXLACHZFEU-LLVKDONJSA-N 295.766 3.590 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 879427049 XRRUBTJPYRTEHS-WDEREUQCSA-N 277.330 3.778 30 20 CHED COc1ccc(CNCC(C)(C)CCC#N)cc1Cl 132314840 BTLKTDVIFPYNOS-UHFFFAOYSA-N 280.799 3.768 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCCC1CC1 1559555127 RVPCACYGCQKKRW-QZTJIDSGSA-N 268.404 3.948 30 20 CHED Cc1cc(C(=O)O[C@H](C#N)C2CCCCC2)oc1C 776395157 IESOOGKMDUGBAY-CQSZACIVSA-N 261.321 3.526 30 20 CHED C=C(Cl)CN[C@H](c1ccc(OC)cc1)C(C)C 779963398 LTBOOJWWGDLXJV-AWEZNQCLSA-N 253.773 3.734 30 20 CHED C=CCN(C(=O)/C(C)=C\c1cccc(Cl)c1)C1CC1 772894880 DAKIFKKFWGUKMZ-BENRWUELSA-N 275.779 3.920 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)OCC2(C#N)CC2)cc1 775841643 XIYCIZMAJPIQJC-TWGQIWQCSA-N 283.371 3.844 30 20 CHED CCc1ccc([C@H](O)CN[C@H](C)c2cccc(C#N)c2)cc1 789364229 VGLNIRXINCDJKR-AUUYWEPGSA-N 294.398 3.505 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3cc(F)ccc3F)cn2c1 789129172 CYWRXNPJJWBFLC-GQCTYLIASA-N 298.292 3.817 30 20 CHED CCS[C@H](C(=O)OCc1cccc(C#N)c1F)C(C)C 785826165 RDFNZSQKWAFPLR-AWEZNQCLSA-N 295.379 3.518 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C3=CCCCC3)[nH]c12 783093945 DANAOTKBPMJGHZ-ZDUSSCGKSA-N 279.343 3.548 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(F)c1F 1123402451 VKAWUCIVXAZJOI-NSHDSACASA-N 280.318 3.927 30 20 CHED C=C1CCC(C(=O)NC(C)(C)c2nc(C)c(C)s2)CC1 889072843 ADOUTLRYWXFJLG-UHFFFAOYSA-N 292.448 3.858 30 20 CHED C#CCC1(C(=O)N2CC[C@@H]2Cc2ccccc2)CCCCC1 788515163 UCDWYRSLKWWGHE-GOSISDBHSA-N 295.426 3.804 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(N(C)C)cc1 1123264746 UORZJWUHZBEFAK-MRXNPFEDSA-N 287.407 3.715 30 20 CHED CC(C)C(C)(C)C(=O)Nc1ccccc1O[C@@H](C)C#N 784153467 IVJNADAMYFLIOF-LBPRGKRZSA-N 274.364 3.598 30 20 CHED C#CCC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 788429739 CAYUOCQTRDJHAZ-UHFFFAOYSA-N 286.331 3.507 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1cn(C)nc1C1CC1)C2=O 899367136 WKVUAPCLZPUUGS-GFQQVXNGSA-N 292.382 3.989 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(Cl)nc(Cl)c2)s1 787938324 QEUCHVBQFBIKDL-UHFFFAOYSA-N 298.154 3.574 30 20 CHED C=C1CCC(C(=O)Nc2nn(C(C)C)cc2Cl)CC1 894871747 BHJGKRQEYNSOOB-UHFFFAOYSA-N 281.787 3.802 30 20 CHED CCc1onc(C)c1/C=C1/CCc2ccc(F)cc2C1=O 899365931 FTATUCRAMUZZPV-WQLSENKSSA-N 285.318 3.897 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C2=CC[C@H](C)CC2)cc1 1136505522 LYJRTZZVBQGRMI-AWEZNQCLSA-N 282.387 3.988 30 20 CHED C=C[C@H](CC)CC(=O)N1CC(c2cccc(Cl)c2)C1 899154680 HGGROVGDASJQQQ-GFCCVEGCSA-N 277.795 3.868 30 20 CHED C[C@H]1CCC[C@H](CCOC(=O)c2ccc(C#N)o2)C1 796148833 SNDIJUHEZWJUPH-NWDGAFQWSA-N 261.321 3.524 30 20 CHED Cc1nc(Cl)ccc1N[C@H](C)CC(C)(C)C#N 894119184 UYLIEIFVPWLSJE-SECBINFHSA-N 251.761 3.784 30 20 CHED N#Cc1cc(NC[C@H]2CCC=CO2)ccc1OC(F)(F)F 799738935 ONUQJSKFPMHPLS-GFCCVEGCSA-N 298.264 3.561 30 20 CHED COCCCON=C(C)c1cccc(Cl)c1Cl 795054887 CZZQAOWEXVNJSM-UHFFFAOYSA-N 276.163 3.771 30 20 CHED N#CCOC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 799592133 DVQILHNFRWMPKL-UHFFFAOYSA-N 295.125 3.669 30 20 CHED CC1(C)CC(=NNc2ncccc2F)c2ccccc21 794983592 IJHHTNTYKINIIA-UHFFFAOYSA-N 269.323 3.718 30 20 CHED C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(F)cc1 792749510 FGJUDVNHGZDDSR-CYBMUJFWSA-N 297.329 3.934 30 20 CHED CCCCCCCCCS(=O)(=O)Cc1cscn1 790143334 GCXCCMHWYRFYJT-UHFFFAOYSA-N 289.466 3.809 30 20 CHED C#CCCCNc1ccc(F)cc1OCCC(F)(F)F 799973969 HCMPYCYWHGJFDL-UHFFFAOYSA-N 289.272 3.982 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccc(C#N)s2)CC1 790178604 DSVZPGKXGSNCED-UHFFFAOYSA-N 275.421 3.712 30 20 CHED Cc1ccc(C(=O)N2CCCc3cc(F)ccc32)cc1C#N 799308157 XHVZJPSMSVWWQC-UHFFFAOYSA-N 294.329 3.599 30 20 CHED CCN(C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 1205528080 BTVQQDQPODXTFD-UHFFFAOYSA-N 291.420 3.933 30 20 CHED CC(C)(C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 794541900 ZQYYAJWRCLLOND-UHFFFAOYSA-N 297.329 3.718 30 20 CHED CCCCCCCCC(=O)OC[C@@H]1CCO[C@@H]1C 793421046 FLSWJXARYDXSIC-KGLIPLIRSA-N 256.386 3.705 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 792951063 BNWFNSJDHGMQJQ-AULYBMBSSA-N 299.201 3.638 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 791065906 DBKDFSYSUNLYBZ-CVEARBPZSA-N 284.403 3.581 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NOC1CCCC1 792156971 LOVKEYYEQJJDJC-UHFFFAOYSA-N 288.391 3.649 30 20 CHED CCN(C)c1ccc(/C=C2/Cc3c(C)cccc3C2=O)cn1 790219113 GWARMXBFEDVSGJ-GDNBJRDFSA-N 292.382 3.669 30 20 CHED CS[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1 245950595 WIIBTFDOLNUQNR-UHOFOFEASA-N 274.433 3.883 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CCC[C@@H](C)CC1 1301037330 TVORFJSTIJIJFW-LLVKDONJSA-N 294.830 3.534 30 20 CHED Cc1ccc(C(C)(C)CNc2cccc(C#N)n2)c(C)c1 1163390941 WBURJGATRFQQML-UHFFFAOYSA-N 279.387 3.960 30 20 CHED N#Cc1cnnc(SCc2c(Cl)cccc2Cl)c1 1162319938 CKQXDSOFTFMNHA-UHFFFAOYSA-N 296.182 3.947 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1cccc(CC#N)c1)CC2 1310750854 FGLXXNYVBZAJAJ-UHFFFAOYSA-N 291.354 3.656 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cc(C)oc1C)C(C)C 1318058509 YEZAOAWDAWMQEJ-LBPRGKRZSA-N 264.369 3.563 30 20 CHED C=CCC[C@H](NC(=O)NC1(C)CC1)c1ccccc1 1319526443 UQAKWOXJOFAZKZ-AWEZNQCLSA-N 258.365 3.546 30 20 CHED CC[C@H](CNC(=O)CC#Cc1ccccc1)CC(F)(F)F 1325269674 ZSXSXBMABLVHLG-ZDUSSCGKSA-N 297.320 3.523 30 20 CHED CC[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 83640434 INNWQSFWWFWWOD-YPMHNXCESA-N 273.336 3.847 30 20 CHED C=CCN(CC=C)Cc1cc(-c2ccc(C)cc2)no1 510151746 SDWPOPLSQCFXDA-UHFFFAOYSA-N 268.360 3.824 30 20 CHED CC[C@H]1CN(CCC2(C#N)CCCCC2)C[C@H](CC)O1 1171321218 NDOHKLFUBSULDO-HOTGVXAUSA-N 278.440 3.740 30 20 CHED CC1(C)CCC[C@H]1OC(=O)C1(c2cccc(C#N)c2)CC1 1327030483 BMOOKHHRZCIPKI-OAHLLOKOSA-N 283.371 3.712 30 20 CHED CN(c1ccncc1C#N)C1CC(C)(C)CC(C)(C)C1 693086851 TWWPXAZGKDODDU-UHFFFAOYSA-N 271.408 3.994 30 20 CHED COc1cccc(CNc2ccc(Cl)c(C#N)c2)c1F 193177070 CWDHSNZEMZTGEL-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CC[C@H]1CCCN(c2cccc(F)c2C(C)=O)C1 664253985 SGRANZNJYXPMLN-ZDUSSCGKSA-N 261.340 3.821 30 20 CHED C=C(C)CCC(=O)N1CCc2ccccc2[C@H]1CC 1336966340 ZIQCFKTWKBHAOW-MRXNPFEDSA-N 257.377 3.879 30 20 CHED CCC(CC)(CN[C@H](C)CC(C)(C)C#N)SC 695866449 YZRAVNBSYPGSQJ-GFCCVEGCSA-N 256.459 3.826 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)s2)cc1 585857183 ARPGYNRTGDBRID-UHFFFAOYSA-N 296.273 3.891 30 20 CHED N#Cc1ccc(-c2nnc(Cc3ccc(Cl)cc3)o2)cc1 1254229648 PWDRALSKIDAQML-UHFFFAOYSA-N 295.729 3.852 30 20 CHED CC1(C)CCCC[C@H]1NCc1cccc(OCC#N)c1 94323033 YMTGFSQILGOOOX-MRXNPFEDSA-N 272.392 3.647 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1332609298 ITYVZYWOUXEBMI-JKSUJKDBSA-N 282.387 3.519 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H](CC)CC(C)C 1264785613 LZHMHBUJZFLBQG-CQSZACIVSA-N 288.391 3.968 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1csc(C#N)c1 1347812449 BIWCHDYVESXIEF-BXUZGUMPSA-N 276.405 3.661 30 20 CHED CC(C)N(CCc1ccccc1)C(=O)c1cc(C#N)cs1 1340060036 XBFBOPYWDMKMQT-UHFFFAOYSA-N 298.411 3.713 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)c1ccccc1F 1358387596 VWUIQMKDDNAFMQ-UHFFFAOYSA-N 282.318 3.673 30 20 CHED CC[C@@H](OC(=O)c1csc(C#N)c1)c1ccccc1 1458523587 SMKPFYOYEKSOEW-CQSZACIVSA-N 271.341 3.928 30 20 CHED CC[C@H](OC(=O)c1cc(C#N)ccn1)c1ccc(C)c(F)c1 1520774877 DWLSOBNEVFCVMR-INIZCTEOSA-N 298.317 3.709 30 20 CHED C=CCCCCCCCNCc1cnn(C)c1Cl 815141020 QJXKUDUSKBGNNY-UHFFFAOYSA-N 269.820 3.690 30 20 CHED C=CCCCCN1CCC[C@H]1c1nc(C(=O)O)c(C)s1 1602870701 PYNZOZNAOWRMIJ-LBPRGKRZSA-N 294.420 3.643 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1csc(C#N)c1 1534875247 KRQYPIJVJCTJKX-SMDDNHRTSA-N 276.405 3.661 30 20 CHED C=CCCCCCN(C)[C@@H](C)c1ncc(C(=O)O)s1 1602870601 NUVWYACROZWYDC-NSHDSACASA-N 282.409 3.581 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2cccc(SCC#N)c2)C1 1535807830 DNILJKCPRQYPDZ-DGCLKSJQSA-N 275.373 3.648 30 20 CHED C=C[C@H](N[C@@H](C)c1ccccc1Oc1ccccc1)C(=O)O 1602816715 PVUPLZAMOQCZDD-BBRMVZONSA-N 297.354 3.769 30 20 CHED Cc1c([C@H](C)Nc2cncc(C#N)n2)oc2ccccc12 1472776983 HJCBPKRGTONTKJ-NSHDSACASA-N 278.315 3.576 30 20 CHED Cc1ccc(CCNc2nc(C#N)c(Cl)s2)c(C)c1 1611869817 MGKGIPCUIZVTOZ-UHFFFAOYSA-N 291.807 3.940 30 20 CHED Cc1ccc(-c2ccc(CNc3n[nH]c(C)c3C#N)o2)cc1 1620962127 PZTGYPMSHJHXAR-UHFFFAOYSA-N 292.342 3.770 30 20 CHED CCOc1cccc(F)c1CN(C)Cc1ccc(C#N)cc1 1621169755 TUNZIDOEBJPAHC-UHFFFAOYSA-N 298.361 3.728 30 20 CHED CC(C)N(CC1CCC1)C(=O)[C@H](C#N)CCc1ccccc1 1626427833 SQHGKMSZAOYODQ-SFHVURJKSA-N 298.430 3.796 30 20 CHED C[C@@H](Cc1ccc2c(c1)CCCC2)NCC1(C#N)CCC1 1621397728 QIHKMCKCDHSQFW-HNNXBMFYSA-N 282.431 3.780 30 20 CHED CC(C)CC[C@H]1CCCN1CCOc1ccccc1C#N 1559646256 GPSBDKYLRJZYQZ-QGZVFWFLSA-N 286.419 3.838 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1 5128828 YFZNHECDJPCFPK-RUDMXATFSA-N 282.339 3.914 30 20 CHED N#CCc1cccc(Nc2cnc3cc(F)c(F)cc3n2)c1 1642700493 YWMYRRBZTJBXEY-UHFFFAOYSA-N 296.280 3.718 30 20 CHED C=CCC1(CNC(=O)c2cccc(NC)c2)CCCC1 1574897483 OTUSKVDEAWBEKO-UHFFFAOYSA-N 272.392 3.595 30 20 CHED Cc1cc(N2CC=C(c3ccc(F)cc3)CC2)ncc1C#N 1654918253 ADEVTFSFSMXOEI-UHFFFAOYSA-N 293.345 3.695 30 20 CHED Cc1cc(C)c2nc(N(C)[C@H](C)CC#N)sc2c1 1650816364 ZVEFWRJDJBUJCC-LLVKDONJSA-N 259.378 3.652 30 20 CHED C=CCC[C@H](C)Nc1cc(C(=O)O)cc2cccnc12 1588777479 AHNLDLZNHCYKPY-NSHDSACASA-N 270.332 3.700 30 20 CHED Cc1nc(C#N)cc(NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 1655058448 QBWOQZJAWKMESV-INWMFGNUSA-N 286.423 3.777 30 20 CHED C=CC[C@@H]1N(C[C@@H]2CCCC[C@H]2C(=O)O)CCCC1(C)C 1588773868 LQJBIKCAWJYIFH-XHSDSOJGSA-N 293.451 3.944 30 20 CHED CCN(Cc1ncccc1F)[C@@H](C)c1ccc(C#N)cc1 1663888549 FYUKEACAYCWQAU-ZDUSSCGKSA-N 283.350 3.675 30 20 CHED CC[C@@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)C1 1776074313 TVMRAZNLIUKREE-SNVBAGLBSA-N 278.327 3.892 30 20 CHED C=C(C)CCCN1CC[C@H](CC(=O)O)c2ccccc21 1776138847 ZKAGPMJIYPWTFG-CQSZACIVSA-N 273.376 3.811 30 20 CHED COc1ccc(C(=O)O)cc1/C=C/C(=O)c1ccc(C)cc1 1776114202 IYQCFFUUCZUELW-VQHVLOKHSA-N 296.322 3.598 30 20 CHED O=C(O)Cc1ccc(NN=Cc2ccccc2C2CC2)cc1 1776084692 IUYZYRUYDGHLKL-UHFFFAOYSA-N 294.354 3.637 30 20 CHED Cc1ccc(C)c(COC(=O)CCc2ccc(C#N)cc2)c1 12956820 SEXOBYTZJARZHA-UHFFFAOYSA-N 293.366 3.851 30 20 CHED CC(C)CN(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 160603326 IYHIRNLJDDUTLD-KRWDZBQOSA-N 299.418 3.861 30 20 CHED CCCCCCCOC(=O)c1cnccc1Cl 163139062 HNUNHOZHTCNXRE-UHFFFAOYSA-N 255.745 3.862 30 20 CHED CC#CCS[C@@H](C)c1nc(-c2ccccc2C)no1 166762231 WGEZHQODOVVZNO-LBPRGKRZSA-N 272.373 3.863 30 20 CHED C=CCCN(CCC)C1CCN(C(=O)OC(C)(C)C)CC1 152630336 AVYQBUNHCYDAOW-UHFFFAOYSA-N 296.455 3.674 30 20 CHED N#CCC[C@H](NC(=O)CCc1ccsc1)c1ccccc1 153145215 ZFKJLCAJMRZEAB-INIZCTEOSA-N 298.411 3.842 30 20 CHED N#CCC[C@@H](NC(=O)c1cccnc1Cl)c1ccccc1 153203901 KGBWPUKQGNMETE-CQSZACIVSA-N 299.761 3.510 30 20 CHED COC(=O)[C@@H](Sc1cccc(C#N)c1)c1ccccc1C 156896866 SSLAPPVEUZGDCU-INIZCTEOSA-N 297.379 3.873 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccccc1 208130333 NEUQSOGPVIHBII-KTKRTIGZSA-N 252.313 3.900 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1 107423466 OHLYMGMKKBFBLN-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1ccccc1-c1noc(-c2cccc(C#N)c2)n1 113731046 DODNQKVAYIIAFE-UHFFFAOYSA-N 261.284 3.584 30 20 CHED C[C@@H]1CC[C@@H](NCc2cc(C#N)ccc2F)C[C@H]1C 251950076 WSLNHJXVFPZYEP-LALPHHSUSA-N 260.356 3.612 30 20 CHED CCOCc1ccccc1CNc1ccc(C#N)cc1 37501514 WDSGZHNOSLSOHF-UHFFFAOYSA-N 266.344 3.707 30 20 CHED N#Cc1c(Cl)cccc1N1CC=C(C(F)(F)F)CC1 167214350 OMTLYRDEEQPLSB-UHFFFAOYSA-N 286.684 3.910 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2C)nc(C(C)C)n1 301541900 CPXDISSANZYJOR-UHFFFAOYSA-N 267.332 3.881 30 20 CHED C=C[C@H](Nc1cccc(Oc2ccccc2)c1)C(=O)O 312588411 NLLOFPHCHZMCGP-HNNXBMFYSA-N 269.300 3.530 30 20 CHED CC(C)(CCNc1nc(Cl)c(C#N)s1)C1CC1 328478919 JQQOKVCLHALZTO-UHFFFAOYSA-N 269.801 3.906 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cc(Cl)ccc1OC 540170823 POUZRXVUWNCBTA-QWRGUYRKSA-N 253.773 3.964 30 20 CHED N#CC1(C(=O)Nc2cccc(F)c2Cl)CCCC1 335994043 DCNUVFWJYLUALZ-UHFFFAOYSA-N 266.703 3.502 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cc(Br)cs1 336741672 NKBOUUSMXAQLQB-VIFPVBQESA-N 299.237 3.855 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCCn1nc(C)cc1C 657822155 WPEIJROZVMAUKP-IRXDYDNUSA-N 275.440 3.615 30 20 CHED C=CCCCCCCNCc1nc2ccccc2n1C 383620741 GLEADSDKLFFUSK-UHFFFAOYSA-N 271.408 3.799 30 20 CHED CC(C)(C#N)CCCSCCNC(=O)OC(C)(C)C 901612417 RYGPQNIPOBKNGD-UHFFFAOYSA-N 286.441 3.574 30 20 CHED C[C@H](NC[C@H](C)CC(F)(F)F)c1cccc(C#N)c1 396906605 FOIODULAULXIBF-MNOVXSKESA-N 270.298 3.797 30 20 CHED C#CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 8570463 BGFLNEPKDRSIHT-UHFFFAOYSA-N 279.339 3.568 30 20 CHED CCc1ccc(CNc2ccc(CC#N)cc2)cc1 37071261 VTIAMLNSPDUJLW-UHFFFAOYSA-N 250.345 3.927 30 20 CHED N#CCCCOc1cccc(NCc2cccc(O)c2)c1 37777353 GPKTXYLAYZKCHU-UHFFFAOYSA-N 282.343 3.687 30 20 CHED N#Cc1ccc(NCCc2ccc3ccccc3c2)nc1 42105845 UQCMBDJNFKXFBB-UHFFFAOYSA-N 273.339 3.761 30 20 CHED C[C@H]1CCCC[C@@H]1OCCN(C)Cc1ccc(C#N)cc1 46054169 BFSWONAKVSYZKF-YJBOKZPZSA-N 286.419 3.585 30 20 CHED CC[C@@H](NCc1ccccc1C#N)c1cccs1 49530754 WFQNTEPSXLYAMZ-CQSZACIVSA-N 256.374 3.861 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(-c2ccccc2)cc1 51040505 OBGGODWGLUDYDR-ZDUSSCGKSA-N 264.328 3.842 30 20 CHED C=CCN(C(=O)c1cccc(OC)c1)c1ccccc1 60525351 AGNGRUYIZOIXNX-UHFFFAOYSA-N 267.328 3.528 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)c1ncccc1C#N 62016659 QQJIELYTVKZQNM-NSHDSACASA-N 271.751 3.804 30 20 CHED COc1ccccc1C(C)(C)CNCc1ccc(C#N)cc1 63319959 LEIDBRFVNLAVOU-UHFFFAOYSA-N 294.398 3.634 30 20 CHED CC(=O)Nc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1 72274756 YJWRZSFXACBQKU-LCYFTJDESA-N 295.313 3.607 30 20 CHED Cc1cc(C)c2c(c1)N(CCCSCC#N)CCC2 72515805 PXACTJIFGLHQTK-UHFFFAOYSA-N 274.433 3.703 30 20 CHED C=C(C)CN(CC)Cc1cc(=O)oc2cc(C)c(C)cc12 72553276 LXFQZNRRNRFDRE-UHFFFAOYSA-N 285.387 3.808 30 20 CHED C#CC[C@H](OC(=O)c1ccc(Cl)s1)c1ccccn1 73292850 QJAVFSKZRLQYLB-NSHDSACASA-N 291.759 3.718 30 20 CHED CC(C)[C@@H](C(=O)[C@H](C#N)c1ccccn1)c1ccccc1 76825489 SIDVRHYKYYWRQS-NVXWUHKLSA-N 278.355 3.698 30 20 CHED COc1cc(CN(CCC#N)CC2CC2)ccc1SC 81044060 VLJKFXSQISNFCE-UHFFFAOYSA-N 290.432 3.543 30 20 CHED C=CCC[C@H](CCC)NCc1ccc([S@@](C)=O)cc1 90221186 VUPRRBYEHQVWHN-KXBFYZLASA-N 279.449 3.649 30 20 CHED N#CCCN(Cc1cccc(-c2cccnc2)c1)CC1CC1 93091372 LLUYJXLUDCNPQD-UHFFFAOYSA-N 291.398 3.874 30 20 CHED N#Cc1csc(CNCCc2ccc(Cl)cc2)c1 93492044 WMOXZPPPRPUQCO-UHFFFAOYSA-N 276.792 3.605 30 20 CHED N#Cc1ccc(N(Cc2cccs2)C2CC2)cc1[N+](=O)[O-] 94592972 ZWGIVLRCBCYJPN-UHFFFAOYSA-N 299.355 3.697 30 20 CHED COc1cc(OC)cc(-c2cc(C)c(C#N)c(Cl)n2)c1 95831313 QSRRKTFOKORTIV-UHFFFAOYSA-N 288.734 3.599 30 20 CHED C=CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 110363564 JRVTWSJOBQQCOE-UHFFFAOYSA-N 283.293 3.744 30 20 CHED CC1CCC(=CC(=O)N(C)Cc2cccc(C#N)c2)CC1 114635848 DMPKAAWSEXVNFO-UHFFFAOYSA-N 282.387 3.653 30 20 CHED C=CC[C@H](C)NC(=O)c1cnc(-c2ccccc2F)s1 116862270 QFYIDVJCODMSFO-JTQLQIEISA-N 290.363 3.644 30 20 CHED N#CCC[C@H](C#N)COc1ccc(Cl)c2cccnc12 119286670 NYJDZSKHDYXRTI-LLVKDONJSA-N 285.734 3.711 30 20 CHED C#CCCCCC(=O)NCc1ccccc1OCC(C)C 119681832 RNJLBFOYBMRSCM-UHFFFAOYSA-N 287.403 3.531 30 20 CHED C#CCCCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 119878348 ZMXDGGAZOASYKC-ROUUACIJSA-N 283.415 3.708 30 20 CHED C=CCC[C@H](NCc1ccc(OC)c(F)c1)C1CC1 119985397 CSARUNVCBLKLSH-HNNXBMFYSA-N 263.356 3.669 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(C)cc1OC(C)C 120303187 SIQARDXUEXVAKK-AWEZNQCLSA-N 290.407 3.546 30 20 CHED CCc1nc(C)c([C@H](C)N(C)CCCCC#N)s1 122077206 FAFQRGMPYFXLPR-LBPRGKRZSA-N 265.426 3.701 30 20 CHED CCN(Cc1ccc(C)nc1)[C@@H](C)c1ccc(C#N)cc1 122351309 NLTBIXPLIKLERJ-HNNXBMFYSA-N 279.387 3.845 30 20 CHED COc1ccc2oc(CNCc3cccc(C#N)c3)cc2c1 123158503 IXYJKMJNMYAURE-UHFFFAOYSA-N 292.338 3.603 30 20 CHED CSC(C)(C)CNc1ccc(C#N)c(Cl)c1 128015314 SCLOYPUHCBLJEM-UHFFFAOYSA-N 254.786 3.765 30 20 CHED C=C(Cl)CNCc1cc(Cl)ccc1Br 128954482 SRUKCPCTZANABO-UHFFFAOYSA-N 295.007 3.945 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(C)nc1Sc1ccccc1 132475366 GXWZXAMXLUYVNF-GFCCVEGCSA-N 298.411 3.846 30 20 CHED C=C[C@H](CC(=O)Nc1cc(C)cnc1OC)c1ccccc1 137240966 WLGISYRBHIGFSL-CQSZACIVSA-N 296.370 3.697 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(-n2cccn2)cc1 151303892 FEMOBJOLVRSYJX-UHFFFAOYSA-N 296.370 3.684 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 152281305 OWHONLLUOKUASQ-RYUDHWBXSA-N 265.784 3.599 30 20 CHED C=C(C)CN1CCC(N[C@H](C)[C@H](C)c2ccccc2)CC1 152959669 ISPUMBBCHNJYAM-DLBZAZTESA-N 286.463 3.809 30 20 CHED CC[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N 154267585 AANKOXUPYGGCRL-VIFPVBQESA-N 264.394 3.902 30 20 CHED Cc1nc2ccc(NCc3ccc(C#N)o3)cc2s1 155673725 QUESBFNEURXIID-UHFFFAOYSA-N 269.329 3.682 30 20 CHED C#CCCOc1ccc(CNc2ccc(OC)c(F)c2)cc1 155971778 BULSBVCVXMLYOG-UHFFFAOYSA-N 299.345 3.849 30 20 CHED C=CCN(C)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 157284048 KERDQFCXHIDJJW-UHFFFAOYSA-N 285.391 3.947 30 20 CHED C/C=C(\C=C\C(=O)Nc1ncccc1OCCCC#N)CC 161165054 UWFGIVLYOFZUOF-NZBXDPCTSA-N 299.374 3.615 30 20 CHED C=CCN(C(=O)c1cc(Cl)ccc1F)C(C)(C)C 165231360 LCSUBWYRGUWDLH-UHFFFAOYSA-N 269.747 3.906 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(F)c(F)c1 165554501 DYUDTKNBBKJCPQ-UHFFFAOYSA-N 259.255 3.724 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1ccc([N+](=O)[O-])cc1 171349269 LFOUFAWKDSQKFT-VMPITWQZSA-N 288.690 3.539 30 20 CHED CCC(CC)CN(CC)C(=O)c1cc(C#N)cs1 176945855 PVSRFZQLOZTTAV-UHFFFAOYSA-N 264.394 3.518 30 20 CHED Cc1ncsc1CCSc1cccc(C#N)c1 177108269 NJCJVEXQFFVAMO-UHFFFAOYSA-N 260.387 3.658 30 20 CHED CC[C@H](c1ccccc1)[S@@](=O)Cc1ccc(C#N)cc1 178109776 XUEJEGKBVZTHKD-XLIONFOSSA-N 283.396 3.958 30 20 CHED Cc1cc(C(=O)N(CC#N)c2ccccc2)cc(C)c1F 179274160 DTTKTBGSURUQBT-UHFFFAOYSA-N 282.318 3.613 30 20 CHED CC(C)(C(=O)O[C@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 179892909 HQYUHHDABPDVMU-FZMZJTMJSA-N 291.778 3.853 30 20 CHED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc2ccccc12 181147332 MDWRGUKUWJVHJM-GFCCVEGCSA-N 289.338 3.531 30 20 CHED N#CCCCNC1(c2ccc(F)cc2F)CCCC1 181256858 UMFWVPYTYMLXGQ-UHFFFAOYSA-N 264.319 3.627 30 20 CHED C=CCCCC(=O)O[C@H](C)c1nc2ccccc2o1 181693177 FSCDPLQFDXRSCR-LLVKDONJSA-N 259.305 3.788 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccnc(SC(C)(C)C)c1 181985388 YUIMGPUAKTTWKA-LLVKDONJSA-N 278.421 3.667 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1cc2ccccc2s1 184383338 SJPFXKWXJJMVRP-GXTWGEPZSA-N 275.417 3.879 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C)[C@@H]1CC)c1ccccc1 185373652 GOXVMFWXJPUSAT-INMHGKMJSA-N 271.404 3.993 30 20 CHED CCSc1cccc(CNCc2cccc(C#N)c2)c1 185463503 MRYFCROHTMGZJE-UHFFFAOYSA-N 282.412 3.960 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1cc(C)cc(C)c1 185499339 XOUZWSPXKHJAOT-HNNXBMFYSA-N 257.377 3.674 30 20 CHED Cc1ccccc1C[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 185805711 HUXWFPWADLHSML-HLLBOEOZSA-N 256.393 3.598 30 20 CHED CC#CCCCC(=O)N[C@H]1c2ccccc2CC[C@@H]1C 185962706 DCFSBMCCLCVNGQ-KBXCAEBGSA-N 269.388 3.620 30 20 CHED C=CC[C@@H](C(=O)NCCc1cccc(F)c1)c1ccccc1 186275077 CSBGMDZRHFREIO-GOSISDBHSA-N 297.373 3.844 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](O)c1ccc2ccccc2c1 188765387 SCZHFPPDBGSTHF-PKOBYXMFSA-N 297.398 3.592 30 20 CHED Cc1cnc(S[C@H](C)c2cccc(C#N)c2)nc1 189836780 FXHRNMNHMHVPPI-LLVKDONJSA-N 255.346 3.510 30 20 CHED N#Cc1ccc(CN(C2CCCC2)C2CC2)cc1F 192014832 VKVBZDGGFKWGJH-UHFFFAOYSA-N 258.340 3.604 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc(Cl)s2)C1 192751446 DYGLZSVLWQQPHJ-ZJUUUORDSA-N 254.786 3.573 30 20 CHED C#Cc1cccc(NCc2cnc(-c3ccco3)s2)c1 193203346 MTRKNJCQNPWHHA-UHFFFAOYSA-N 280.352 3.997 30 20 CHED CCc1c(C(=O)/C=C\c2cnn(C)c2)oc2ccccc12 206442773 SFWBYYHMHWIPLR-HJWRWDBZSA-N 280.327 3.625 30 20 CHED COc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1 207933196 QCPZBJHECPIRCW-UVTDQMKNSA-N 280.323 3.613 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1cc(F)ccc1C#N 229956195 KRPBBZIXOTVZEO-UHFFFAOYSA-N 288.753 3.983 30 20 CHED Cc1ccc(Cl)c(NC(=O)C2(C#N)CC(C)C2)c1 230255652 MSWCTYNIHMXETK-UHFFFAOYSA-N 262.740 3.527 30 20 CHED CCCCCCNCc1ccc(O[C@H](C)C#N)cc1 236651801 XNNCJLLBLRSTQP-CQSZACIVSA-N 260.381 3.647 30 20 CHED CCCCCCCC(=O)N[C@H](CC(=O)O)c1cccs1 236841573 FHLVBKCEBPUEKN-GFCCVEGCSA-N 297.420 3.741 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H]2CCCC[C@H]2C1 253283450 MALLBMVXTPZBJZ-AEFFLSMTSA-N 268.404 3.879 30 20 CHED CC[C@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 264441628 ANAUJJREIIAEIV-RYUDHWBXSA-N 276.405 3.923 30 20 CHED CCc1nc([C@H](C)Nc2ccc(F)cc2C#N)cs1 266335033 HLIOQOLUVZVYKT-VIFPVBQESA-N 275.352 3.889 30 20 CHED CN(CC#N)C(=O)CCCCc1ccc(Cl)c(Cl)c1 269983921 WZPYFWXQFVRCBH-UHFFFAOYSA-N 299.201 3.688 30 20 CHED CCN(CCC#N)C(=O)c1ccccc1CCC(F)(F)F 270954736 YBWKENKQGQQNCW-UHFFFAOYSA-N 298.308 3.557 30 20 CHED C[C@H](CC#N)N(C)Cc1c(Cl)oc2ccccc12 271158225 JAQACBAZNUJKRJ-SNVBAGLBSA-N 262.740 3.820 30 20 CHED C#CCCCCC(=O)N1CCCCC[C@@H]1c1ccncc1 271399395 UPACBKLCCPYYBZ-QGZVFWFLSA-N 284.403 3.719 30 20 CHED Cc1nonc1CSc1ccc(C#N)c(C(F)(F)F)c1 272729485 BSOMYTRYMPQOJC-UHFFFAOYSA-N 299.277 3.561 30 20 CHED N#Cc1cc(Cl)ccc1CS[C@H]1CCCOC1 274758515 QKFYILFOVSJACG-ZDUSSCGKSA-N 267.781 3.624 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(Br)cc1C 276318527 OFBNKHRXYYCFLD-UHFFFAOYSA-N 297.196 3.797 30 20 CHED CC(C)(C#N)CC(=O)NCC(C)(C)c1ccc(Cl)cc1 278228640 JKDQATLBFIVPDU-UHFFFAOYSA-N 292.810 3.674 30 20 CHED C=CC[C@H]1N(C(=O)c2cccnc2C)CCCC1(C)C 278379327 LKYITWLROTWHDK-OAHLLOKOSA-N 272.392 3.597 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1ccc(F)cc1)CC1CC1 278380987 QOQICTMXPLXAEP-UHFFFAOYSA-N 288.366 3.504 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1 280135059 YIXBYVMKXGNGRB-CMDGGOBGSA-N 254.333 3.669 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cnn(C(C)(C)C)c1C 281612592 NCKLUOVDWNNBKJ-JSGCOSHPSA-N 263.429 3.952 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(Cl)nc1C 281869522 FGGVAVIGSKOQMK-SNVBAGLBSA-N 267.760 3.520 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](c1ncccc1C)C(C)C 281932086 RQLMCRKAXBZQJL-GJZGRUSLSA-N 289.423 3.741 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)[C@@H](C)C1CCCCC1 283735959 ZZCAMRNIJXELAW-NSHDSACASA-N 274.364 3.501 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1sccc1Cl 285402357 OUOBBIRMJJPBEM-UHFFFAOYSA-N 284.812 3.803 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(OCC(C)C)cc1 285654904 CPTFADYFLFRWNN-MRXNPFEDSA-N 275.348 3.567 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(SC)c1C 285739108 GXLYYCKMCJEMTG-AWEZNQCLSA-N 262.378 3.595 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC(C)(c2ccccc2)CC1 285780939 OEBDQXAJXZCQOW-QGZVFWFLSA-N 284.403 3.507 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)CCc1cccc2ccccc12 286309096 HBXWJTZHAWHCKY-LJQANCHMSA-N 294.398 3.781 30 20 CHED CC1(C)CN(C(=O)NCCCCC#N)[C@@H]1c1cccs1 287373099 KTEMLZNRNJKFFY-CYBMUJFWSA-N 291.420 3.534 30 20 CHED N#CCCCC(=O)OCc1ccc(Cl)cc1Cl 291044547 HNQAZFGIAXWVTM-UHFFFAOYSA-N 272.131 3.730 30 20 CHED C[C@H](CN(C)C(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1 294743280 YJNSBTHIURZCIR-BEFAXECRSA-N 296.414 3.723 30 20 CHED N#C[C@@]1(C(=O)Nc2cccc(Cl)c2F)CC12CCCC2 297871780 PDLNMNGYRRBLPP-OAHLLOKOSA-N 292.741 3.892 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)CC=C 298624749 TTZPHULYPHHKJV-UHFFFAOYSA-N 287.403 3.812 30 20 CHED N#Cc1cc2c(nc1N1CCC[C@H]1c1cccs1)CCC2 298755953 YFAHNOLSFPYTFS-HNNXBMFYSA-N 295.411 3.845 30 20 CHED C[C@H](c1ccccc1F)N(C)c1ccc(Cl)c(C#N)n1 301494881 AGRAJVURQIXHKT-SNVBAGLBSA-N 289.741 3.943 30 20 CHED N#Cc1ccc(N2CCC[C@H]2Cc2ccccc2Cl)cn1 301522624 OCSYGESAYPNILX-HNNXBMFYSA-N 297.789 3.818 30 20 CHED C[C@H]1CC(Nc2c(Cl)cccc2C#N)C[C@H](C)O1 301986288 ZHTMLOCATMAHEA-UWVGGRQHSA-N 264.756 3.580 30 20 CHED C[C@H](C#N)CNc1nc(-c2cc(Cl)cc(Cl)c2)no1 302053011 PBUCREXNOGFLRE-SSDOTTSWSA-N 297.145 3.615 30 20 CHED C[C@@H]1CC(O)=N[C@H](C(O)=Nc2nc(C(C)(C)C)cs2)C1 328838013 NGCCFNCSVYRJFS-IUCAKERBSA-N 295.408 3.784 30 20 CHED CC1(C(O)=Nc2ncn(C3CCCCC3)n2)CCC1 329497832 FFLOQANAJKSPJV-UHFFFAOYSA-N 262.357 3.562 30 20 CHED CN(Cc1ccon1)/C(O)=N/[C@@H]1CCCCC12CCCC2 329625067 OJHZYIDOPCUBAJ-CQSZACIVSA-N 291.395 3.523 30 20 CHED Cc1nc2ccc(N=C(O)C[C@@H]3CCOC3)cc2s1 329776835 KDWGRLGWNIQZLB-JTQLQIEISA-N 276.361 3.619 30 20 CHED Cc1cc(Cl)ccc1C(=O)N[C@](C)(C#N)CC(C)C 330485096 ZLLXZLZKCVVWPT-HNNXBMFYSA-N 278.783 3.707 30 20 CHED CCc1nc(N=C(O)c2cn(C)nc2C(C)C)sc1C 330537831 QNWGTCUHOGSDPI-UHFFFAOYSA-N 292.408 3.507 30 20 CHED CCC(CC)c1cc(C/N=C(/O)N[C@@H]2CC[C@H](C)C2)on1 331221790 KDUGUMXNUWQBTJ-WCQYABFASA-N 293.411 3.770 30 20 CHED Cc1cccc2c(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)coc12 332358856 WDSNMKIWPOQZOP-KZULUSFZSA-N 296.370 3.944 30 20 CHED CC1(C)CCC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 333262756 BENFZXOQBKEDFP-GUYCJALGSA-N 274.408 3.545 30 20 CHED CC1(C#N)CCC(Nc2ccc(CC#N)cc2)CC1 335590840 JRAQFAPSNPVBER-UHFFFAOYSA-N 253.349 3.637 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 336586966 RLZVUOAICCHYHX-GOSISDBHSA-N 290.366 3.578 30 20 CHED C[C@@]1(CNc2ncccc2C#N)C[C@@H]1c1ccccc1 338737925 FOVSHPFTFFUAQN-WBVHZDCISA-N 263.344 3.559 30 20 CHED C=CC[C@@H](C(=O)Nc1cncc(F)c1)c1ccccc1 341539231 AASMMKUINOZIDG-OAHLLOKOSA-N 270.307 3.519 30 20 CHED N#CCc1ccc(C[S@](=O)c2cccc(Cl)c2)cc1 342167745 PBYVUISZLJODNB-IBGZPJMESA-N 289.787 3.714 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@@H](C)C1 345462127 UIBUHVZSJDHXNM-RHSMWYFYSA-N 282.387 3.509 30 20 CHED Cc1ccc(C#N)c(NCCc2ccccc2Cl)n1 346827688 JMISPPOHEQZLKQ-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CCc1cccnc1[C@H](C)NCC(C)(C)CCC#N 348239612 BMZLTVHYZSOOCH-ZDUSSCGKSA-N 259.397 3.625 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccnc(-c2ccccc2)c1 348844414 NFFPETNKPZSFQD-ZDUSSCGKSA-N 294.358 3.514 30 20 CHED C=CCN(CC=C)C(=O)c1coc2ccc(CC)cc12 349087632 VOXULFUEESLPFB-UHFFFAOYSA-N 269.344 3.809 30 20 CHED N#Cc1ccc(SCCCCCn2cccn2)cc1 352538309 IKQXYGWKPMCQGK-UHFFFAOYSA-N 271.389 3.717 30 20 CHED C=CC1CCN(Cc2cc3cc(F)ccc3o2)CC1 353593407 LALVDXHDZDGNNP-UHFFFAOYSA-N 259.324 3.970 30 20 CHED COc1ccc(CN(C)[C@@H]2CCC(C)(C)C2)cc1C#N 355576494 BZJZOFQWNIFEFA-OAHLLOKOSA-N 272.392 3.577 30 20 CHED CCC(CC)CNC(=O)C[C@@H](CC#N)c1ccccc1 355670948 KZRLSBPZCMOPFB-MRXNPFEDSA-N 272.392 3.626 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccc(C)s1 356066121 XVTDBYHMGVDMKA-ZDUSSCGKSA-N 263.406 3.556 30 20 CHED N#Cc1cccc(SCc2nc3cccnc3s2)c1 356185272 DFKQQWGKWKUJOX-UHFFFAOYSA-N 283.381 3.855 30 20 CHED C=CCN(C(=O)c1ccc(O[C@H](C)CC)cc1)C1CC1 357492391 HVMNZKXWOVJWIM-CYBMUJFWSA-N 273.376 3.655 30 20 CHED C=CCSCCN[C@@H](CC)c1cc(F)ccc1F 358027472 RQFDYOLEHGTWBL-AWEZNQCLSA-N 271.376 3.925 30 20 CHED C=C(C)Cn1c(C)nnc1N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 358962189 XDNHIAOTQKGJNP-PBHICJAKSA-N 288.439 3.568 30 20 CHED CC(C)[C@H](C(=O)NCC(C)(C)CCC#N)c1ccccc1 359775359 ZGGJGNQOCLLYAS-INIZCTEOSA-N 286.419 3.872 30 20 CHED N#Cc1cccnc1N1CC=C(c2cccc(Cl)c2)CC1 359903786 BNRQLEXVNZHZBP-UHFFFAOYSA-N 295.773 3.900 30 20 CHED COc1cc(Oc2nc(C)c(C#N)cc2Cl)ccc1C#N 360048815 YPPHQMQBQYLQMW-UHFFFAOYSA-N 299.717 3.588 30 20 CHED C=CCN(CC=C)C(=O)c1c(-c2ccccc2)noc1CC 361451206 ZDNJTVDGJJAKCZ-UHFFFAOYSA-N 296.370 3.718 30 20 CHED N#CCCCN1CCC[C@]2(CCCc3ccccc32)C1 361828612 LWPMCYCBHMHRGB-GOSISDBHSA-N 268.404 3.660 30 20 CHED CC#CCCCC(=O)Nc1sc(CCC)nc1C 362519423 MTJPCDQTQMKWHB-UHFFFAOYSA-N 264.394 3.536 30 20 CHED CN(Cc1ccccc1)[C@H]1CCN(CC(C)(C)CCC#N)C1 363102775 VGRQDOUPYWVWGR-SFHVURJKSA-N 299.462 3.523 30 20 CHED COc1cccc([C@H]2CCCN2c2cc(C#N)cc(C)n2)c1 370552386 SJNQZDVTULGIRJ-QGZVFWFLSA-N 293.370 3.612 30 20 CHED CC(C)(C#N)CCCCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 377784818 PXFASWWIHNJGCP-CVEARBPZSA-N 290.451 3.740 30 20 CHED C#C[C@@H](CC)NC[C@H](C)c1cccc(Br)c1 381555721 OSZPZZHQOZLSIK-FZMZJTMJSA-N 280.209 3.554 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@]1(C)CCC[C@H]1C 411056717 NICJJGSXIOTJSM-PIGZYNQJSA-N 284.359 3.526 30 20 CHED C=C(CC)CN1CC2(CCOCC2)[C@H]1c1ccccc1 412010692 ITHDKABVYSDUKN-QGZVFWFLSA-N 271.404 3.806 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)CC(F)F 413233983 VPPAVJJLPVCMDS-SNVBAGLBSA-N 296.317 3.575 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H](C2CCC2)C2CC2)c1 413357377 JSYPKXZWTCQOON-KRWDZBQOSA-N 268.360 3.751 30 20 CHED Cc1nc(C[S@](=O)CCC2(C#N)CCCCC2)cs1 417153949 PMFORNCZAWDOEM-LJQANCHMSA-N 296.461 3.564 30 20 CHED Cc1cccc2nc(CSCC3(C#N)CCC3)cn12 419463660 PMVREACYMMDZII-UHFFFAOYSA-N 271.389 3.570 30 20 CHED CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1F 424328477 ODHWBHZQRDXXKS-NORZTCDRSA-N 278.346 3.944 30 20 CHED CC[C@@H](C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425115504 UFAJXKSKEPOEPZ-OLZOCXBDSA-N 258.365 3.514 30 20 CHED Cc1cc([C@@H](C)Nc2ncc3c(c2C#N)CCC3)c(C)o1 425205533 BPZFIYNBXOFTKT-LLVKDONJSA-N 281.359 3.825 30 20 CHED CC(=O)c1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 425529625 CFNJJLFKDGBRII-CQSZACIVSA-N 292.382 3.954 30 20 CHED CC(C)C[C@@H](Cc1cccc(Cl)c1)NCCC#N 426005945 UZALVOKMWOUPBQ-HNNXBMFYSA-N 264.800 3.800 30 20 CHED CCC(C)(C)NC(=O)c1sc2ccc(C#N)cc2c1C 429925326 KYNVCHNEGZUEOO-UHFFFAOYSA-N 286.400 4.000 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl 430372280 RHNWEDSOFIPTKO-QMTHXVAHSA-N 262.740 3.586 30 20 CHED CCc1ccc([C@@H]2CCN(c3cccc(C#N)n3)C2)cc1 431498698 XXLVNHZALSFFPH-MRXNPFEDSA-N 277.371 3.510 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 431749911 MJRSOAHJYHFLRE-IIAWOOMASA-N 297.402 3.957 30 20 CHED C=CCC[C@H](C)NC[C@H]1CCCN(c2ccccc2)C1 433087618 JMJAZDJORUSOTL-DLBZAZTESA-N 272.436 3.847 30 20 CHED C=CC[C@H]1N(CCC2CCOCC2)CCCC1(C)C 433203563 CJXXAPSISQAXRA-MRXNPFEDSA-N 265.441 3.870 30 20 CHED C[C@@H](C1CC1)N(C(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 433313240 PMFPPTLXGCEWSF-WMLDXEAASA-N 296.414 3.548 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[C@@H](C)C[C@@H]1CC 436294953 PMHKYAGUEROJAV-JJTUDDRGSA-N 265.441 3.772 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCCC(C)(C)C2)CC1 443174580 GYOIDNOCNWEPKA-CQSZACIVSA-N 264.413 3.563 30 20 CHED C[C@H]1CC[C@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)C1 443508052 JLDWEWWJNVQODW-UWVGGRQHSA-N 283.297 3.597 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H]1c1ccccc1 448158566 FPAPYPSRWHQWRE-SFHVURJKSA-N 292.382 3.904 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 448927918 ZFNVQEJVQCDCRJ-BYCMXARLSA-N 290.794 3.847 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 450303550 NHJLQTSEWURFEZ-WBVHZDCISA-N 296.414 3.880 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)NCC(C)(C)C1CCCCC1 450321966 WHRRTOIVDZRQME-UHFFFAOYSA-N 287.407 3.531 30 20 CHED CN(CC1(C#N)CCC1)c1cccc(OC(F)(F)F)c1 450347701 IWALUOHSDJQBIC-UHFFFAOYSA-N 284.281 3.715 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(CC#N)cc1 452420229 MCGZUXSYHPAFOO-WBVHZDCISA-N 284.403 3.699 30 20 CHED C=CC(C)(C)CNC(=O)C1(Cc2ccc(Cl)cc2)CC1 452778852 ZSNRPOJFPBEECN-UHFFFAOYSA-N 291.822 3.991 30 20 CHED CCC[C@H](OC)c1noc([C@H](C)c2cccc(C#N)c2)n1 453218408 LDFZFTDVCJGUNQ-RISCZKNCSA-N 285.347 3.581 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C)cc1Cl 454174418 QNTKOOIGWMMGHP-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=C(C)CCNC(=O)c1cc(C(C)C)c(O)cc1C 456117833 HFICQUGJVUHIAO-UHFFFAOYSA-N 261.365 3.520 30 20 CHED CCC(CC)(C(=O)NCC(C)(C)CC#N)c1ccccc1 457999325 ZOBOEBAUZYAPNQ-UHFFFAOYSA-N 286.419 3.800 30 20 CHED CCC[C@@H](NC(=O)c1cc(C#N)cs1)C1CCCC1 458350697 XIWIXYJZYLDVFW-CYBMUJFWSA-N 276.405 3.708 30 20 CHED C=C(CC)CNC(=O)N(Cc1cccc(F)c1)C(C)C 459076639 MJMDHORRTURXBO-UHFFFAOYSA-N 278.371 3.712 30 20 CHED Cc1cc(F)c(CN2CCC(F)(C#N)CC2)c(Cl)c1 459546430 SMMIHHWXPOZARK-UHFFFAOYSA-N 284.737 3.615 30 20 CHED Cc1ccc(-c2noc(-c3cc(C#N)cs3)n2)c(F)c1 460146865 RPSQALVIAMFIMD-UHFFFAOYSA-N 285.303 3.784 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1C 460949220 MGQBLEPMASDKOP-KGLIPLIRSA-N 290.455 3.678 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C)[C@@H]1C 460958700 NNAMUOPUSZUAPX-RDBSUJKOSA-N 276.428 3.602 30 20 CHED Cc1cc(CCN[C@@H]2CCC[C@H](C#N)C2)ccc1Cl 462802937 IZIWBXFJTBCYCW-LSDHHAIUSA-N 276.811 3.863 30 20 CHED CC(C)(C)[C@H]1OCCC[C@H]1CNc1ccc(F)cc1C#N 462864894 WZWXLDVCDYXICF-LRDDRELGSA-N 290.382 3.951 30 20 CHED CN(Cc1cccc(C#N)c1)c1ccc2ccc(F)cc2n1 462921153 ZFIUFJVJQYYLPA-UHFFFAOYSA-N 291.329 3.882 30 20 CHED CC#CCCCC(=O)N(CC)c1cccc(C)c1C 464569586 YONPZNWWWXQSGV-UHFFFAOYSA-N 257.377 3.850 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](c1cccc(Cl)c1)C(C)C 465117281 YHZZQCJXJRFYEX-RISCZKNCSA-N 265.784 3.770 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccccc1OC1CCCC1 465156719 POIGVFBUQJCFLO-GFCCVEGCSA-N 274.364 3.704 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)NCC#Cc1ccccc1 466247718 CPVFJAHETVSSGC-ZWKOTPCHSA-N 298.430 3.648 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc(C#N)c1 466975432 YHATUKBYGMRPCM-ZBFHGGJFSA-N 285.391 3.991 30 20 CHED C=CCC[C@@H](CCC)N[C@H](CO)Cc1ccc(C)cc1 467363665 DEMQSQJAQVBTKW-MSOLQXFVSA-N 275.436 3.623 30 20 CHED C=CCN(CCCC1CCOCC1)Cc1cccs1 469904411 GXWXUHUEPFBMSA-UHFFFAOYSA-N 279.449 3.943 30 20 CHED C=C1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 470169938 MAILXHJAPOHJDJ-GXDHUFHOSA-N 272.348 3.650 30 20 CHED C=CCOCCCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 470762265 QMOOMHBCSDCRJQ-INIZCTEOSA-N 281.346 3.764 30 20 CHED C=CCCCCNC(=O)CSc1ccc(C)cc1 471667787 HNJZSSSGNXKSAR-UHFFFAOYSA-N 263.406 3.560 30 20 CHED C=CCCCCNC(=O)[C@@]1(C)CCc2ccccc2C1 471709445 PIMNTODRJUOOCA-SFHVURJKSA-N 271.404 3.654 30 20 CHED C=C(C)CS[C@H]1CCN(c2ccc(Cl)cc2)C1=O 477011090 LDUYYNWLJNPYJL-ZDUSSCGKSA-N 281.808 3.755 30 20 CHED C=C(C)[C@@H](NCCSCC)c1ccc(F)c(F)c1 481591750 IRYWNCYBHYRIGR-CQSZACIVSA-N 271.376 3.925 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C#N 483051868 RSYUDVYGUOOJAX-GXTWGEPZSA-N 256.349 3.713 30 20 CHED C=CCCN(C)C(=O)Nc1cnn(C(CC)CC)c1CC 485147617 OCHKRMUJKGEDSF-UHFFFAOYSA-N 292.427 3.846 30 20 CHED C=CC[C@@H](C(=O)N(C)[C@H](C)C(C)C)c1ccccc1 487692523 MRZPWPBVEHQXLM-GDBMZVCRSA-N 259.393 3.849 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1OC 488824890 JPYXGGZIWQVYMA-GFCCVEGCSA-N 279.767 3.529 30 20 CHED CCC(CC)(CC)NCCCC1(C#N)CCOCC1 499547055 HCSKJOCEHIVXPX-UHFFFAOYSA-N 266.429 3.645 30 20 CHED Cc1ccc(CCOc2ccc(C#N)cc2F)cc1 503923583 FNGOZSUQJAANSS-UHFFFAOYSA-N 255.292 3.627 30 20 CHED C[C@@H](C#N)CN(C)Cc1cc(C(F)(F)F)ccc1Cl 509831676 GXHVGAUFZVBOAP-VIFPVBQESA-N 290.716 3.950 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 522977110 WWAAHDQVAIAIKY-NHYWBVRUSA-N 290.794 3.847 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2cc(F)c(Cl)cc21 527905335 NKVAQXUFSNYQMW-XHSDSOJGSA-N 295.785 3.790 30 20 CHED CN(C/C=C\c1ccccc1)Cc1cc(C#N)ccc1F 532501520 BSNHTFUQAXUAFU-YVMONPNESA-N 280.346 3.843 30 20 CHED C=C(C)COCCNCc1c(C)cc(Cl)cc1C 536049937 MHELWDJWKNLDCN-UHFFFAOYSA-N 267.800 3.639 30 20 CHED C=CCCCC(=O)Nc1cccc2c(OC)ccnc12 536616159 YRZCAJJVYXGWRT-UHFFFAOYSA-N 270.332 3.538 30 20 CHED C=CCOc1cccc(CN2C[C@@H](C)S[C@H](C)C2)c1 536655912 YWPBTLAUXPOEOD-ZIAGYGMSSA-N 277.433 3.577 30 20 CHED C=CCN(C(=O)Nc1ncc(C(C)(C)C)s1)C1CC1 536797113 RQSFQBIWEVGJHW-UHFFFAOYSA-N 279.409 3.623 30 20 CHED Cc1cc(C)c(CC(=O)N(C)c2ccccc2C#N)c(C)c1 539175088 JWXNEYKMEKOIRU-UHFFFAOYSA-N 292.382 3.689 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCc2ccc(F)cc21 539390251 CNDDZXAFUURHLS-MLGOLLRUSA-N 290.382 3.857 30 20 CHED C=CCN(Cc1csc(Cc2ccccc2)n1)C1CC1 552835753 ZIBCKFNJHNSIMK-UHFFFAOYSA-N 284.428 3.884 30 20 CHED CC(C)N1CCCC[C@H]1CSc1cccc(C#N)c1 555470607 ZZFJUMHQGUZWID-HNNXBMFYSA-N 274.433 3.913 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 556810330 CVVHMTPYCBCBQP-ARFHVFGLSA-N 276.424 3.744 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 557430579 BNVOJZTXCOVUTG-OALUTQOASA-N 298.430 3.897 30 20 CHED CCCCCSc1c(C#N)nnc2ccccc12 557433781 ILIHXQWXJPWIHM-UHFFFAOYSA-N 257.362 3.784 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1c1nccc(C#N)c1Cl 557583229 MHQDWHKQZUSNOV-NQBHXWOUSA-N 275.783 3.764 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)c1nccc(C#N)c1Cl 561112575 OVZRKHHUZGEEGP-JTQLQIEISA-N 289.741 3.943 30 20 CHED N#Cc1cccnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 561358575 HRIBNFRYVPEVMO-KSZLIROESA-N 289.382 3.726 30 20 CHED N#CCc1cccc(NC(=O)[C@H]2CC23CCCCC3)c1 564418959 KZIIBNLQTWLEOY-OAHLLOKOSA-N 268.360 3.662 30 20 CHED C=C1CCN(Cc2nc(C(C)C)n3ccccc23)CC1 566337645 QAFPDADIBBRYBH-UHFFFAOYSA-N 269.392 3.610 30 20 CHED CC(C)CC1(C(=O)Nc2cc(C#N)c3ccccc3n2)CC1 566526546 HQAZIACFDJKONQ-UHFFFAOYSA-N 293.370 3.871 30 20 CHED Cc1cc(N2C[C@@H](c3ccccc3C)C[C@@H]2C)cc(C#N)n1 566578336 LXOPXTPLUBYGCT-HOTGVXAUSA-N 291.398 3.953 30 20 CHED C=CCC(C)(C)c1noc(CCc2ccsc2)n1 567067026 LYLJYABKASZQOQ-UHFFFAOYSA-N 262.378 3.770 30 20 CHED CCc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)s1 571693991 FIFDGCCGBMFHSS-KRWDZBQOSA-N 282.412 3.959 30 20 CHED CCc1cccc(CN(CCC#N)Cc2cccnc2)c1 576680762 ZOISTNHMTQHFQL-UHFFFAOYSA-N 279.387 3.560 30 20 CHED Cc1csc(C(=O)N[C@](C)(C#N)C2CCCCC2)c1 581351081 DDIFEDKIDFSUCX-OAHLLOKOSA-N 276.405 3.649 30 20 CHED CC[C@@H](CC#N)NCc1ccc(SC(C)C)cc1 581496904 FFDQMKVTMXMARF-AWEZNQCLSA-N 262.422 3.969 30 20 CHED C=CCC[C@@H](CCC)NCC1(SC)CCN(C)CC1 582575959 OFZMUVONYKKOCK-OAHLLOKOSA-N 284.513 3.538 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccsc2C)n1 583555454 GDZYHZLJUYAQCV-UHFFFAOYSA-N 262.378 3.884 30 20 CHED CCc1cc(NC(=O)N2CCC[C@](C)(C#N)C2)ccc1F 588305619 ZAJQJNJXSXACNW-MRXNPFEDSA-N 289.354 3.546 30 20 CHED COc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1O 589340356 ATOFHMHRRPGLAB-QWHCGFSZSA-N 296.370 3.684 30 20 CHED C=C1CCN(C(=O)c2cc(Cl)ccc2OC(C)C)CC1 591092352 DRMHCYUAHKUHNH-UHFFFAOYSA-N 293.794 3.919 30 20 CHED CO[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)CC(C)C 591348212 KJTOXGMCCAQGAY-SJLPKXTDSA-N 286.419 3.586 30 20 CHED N#Cc1cc(F)c(N[C@H]2CCC[C@@H](F)C2)c(F)c1 591958293 SGUYNFZHUXFDLL-ZJUUUORDSA-N 254.255 3.529 30 20 CHED CC[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CCCC1 594039702 HZPDDOKRKYLHQT-KBXCAEBGSA-N 298.430 3.822 30 20 CHED C[C@@H](C#N)N(CCc1ccc2ccccc2c1)C1CC1 595720473 IGJYVELCLWIXCR-AWEZNQCLSA-N 264.372 3.759 30 20 CHED COc1ccc2c(c1)CCN([C@@H](C)c1cccc(C#N)c1)C2 595758811 HIWCZSIOBJFZHI-AWEZNQCLSA-N 292.382 3.686 30 20 CHED C=CCC1(NCc2nc([C@@H](C)SCC)no2)CCCC1 595780079 GWWMFLGZXFWICD-GFCCVEGCSA-N 295.452 3.862 30 20 CHED CC(C)c1ccc2c(c1)CN(c1ncc(C#N)cc1F)CC2 596407152 BOKKQLXDPHVFDY-UHFFFAOYSA-N 295.361 3.778 30 20 CHED Cc1ccc(NC(=O)N2CCC[C@H](CC#N)C2)c(Cl)c1 596629620 LUBGZJRMMSNDLM-GFCCVEGCSA-N 291.782 3.806 30 20 CHED Cc1ccc(CCCC(=O)N2CCC[C@H](CC#N)C2)s1 597908611 UQTKJQDLJAJEHG-CQSZACIVSA-N 290.432 3.532 30 20 CHED CC[C@H](C(=O)N(C1CC1)[C@@H](C)C#N)C1CCC(C)CC1 598131795 CZLYRDMVTCLTSR-HTHKGWQXSA-N 276.424 3.742 30 20 CHED CCCC1CCC(N(C)C[C@H](O)CC(C)(C)C#N)CC1 598616300 NUBWIMQIFCTYKR-UYSNPLJNSA-N 280.456 3.578 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)CCCC(C)C)CC1 600840712 UJRAGSLHBPMNLZ-CQSZACIVSA-N 266.429 3.809 30 20 CHED CC[C@@H](C)Cc1noc(CC2(C#N)CCCCC2)n1 601399180 NWMATKNHOMZZEL-GFCCVEGCSA-N 261.369 3.675 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2cccc(C#N)n2)c1 602440498 PSPDSKYQKSYMIL-SFHVURJKSA-N 277.371 3.599 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CC(C)(C)Oc2ccc(F)cc21 602699286 PJJGTRWVOQUWQU-SWLSCSKDSA-N 290.382 3.957 30 20 CHED CC(C)(C#N)CCCN1CC(C)(C)[C@@H]1c1ccco1 602927467 SIEWFQQKEQJYBL-AWEZNQCLSA-N 260.381 3.992 30 20 CHED CSc1ccc(CN[C@H](C)c2cccc(C#N)c2)o1 603426377 MBIOUMOZAHGVCK-LLVKDONJSA-N 272.373 3.724 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2NCc2cc(C#N)cs2)cc1 603434113 ZXVQNDQNOHUTGP-DLBZAZTESA-N 298.411 3.664 30 20 CHED N#CCN(C(=O)c1cccc(OC2CCCCC2)c1)C1CC1 609969021 DPUKYCFUUSRYDT-UHFFFAOYSA-N 298.386 3.526 30 20 CHED CC(C)(C(=O)NCCCCC#N)c1ccc2ccccc2c1 610227535 BVLBNTWYLBPLSO-UHFFFAOYSA-N 294.398 3.927 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H](C)c2ccco2)cc1C#N 610934151 INYBAENRHUXGNN-LBPRGKRZSA-N 298.342 3.681 30 20 CHED C[C@]1(C#N)CCCN(c2ccc3ccc(F)cc3n2)C1 612107483 GCKYZBNWILVCML-MRXNPFEDSA-N 269.323 3.504 30 20 CHED Cc1cc(C)cc(OCCCN2CCC[C@](C)(C#N)C2)c1 612164648 DHYQUSKVIYFROI-GOSISDBHSA-N 286.419 3.698 30 20 CHED CC#CCCCC(=O)Nc1nc(C(C)C)c(C)s1 617247502 HTOGTUXTTDYZJG-UHFFFAOYSA-N 264.394 3.707 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(F)c2)C1 617782649 JSRMBDZHSDPFHH-KBPBESRZSA-N 275.367 3.744 30 20 CHED C=CCCCC[C@@H](C)NCCc1nc(C)cs1 648417881 NGOPGKBTGLSCPG-GFCCVEGCSA-N 252.427 3.719 30 20 CHED C=CCC[C@@H](NCCc1ncc(C)cc1C)C1CC1 655809050 PESYHLMLGBGITQ-QGZVFWFLSA-N 258.409 3.575 30 20 CHED C=CCCC(C)(C)NCc1ccc(O[C@@H]2CCOC2)cc1 657806793 RXEKMTVOJNFFFC-QGZVFWFLSA-N 289.419 3.689 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC1(CCOCC)CC1 657932573 QBORZAWLYZFJLW-CVEARBPZSA-N 265.441 3.918 30 20 CHED C=CCCCN[C@@H](CO)c1cccc(Cl)c1Cl 662052328 QYOVMOAJTGXFQQ-LBPRGKRZSA-N 274.191 3.583 30 20 CHED C=C(CNC(=O)N1CC[C@@H](C2CCC2)C1)c1ccccc1 665749147 MYJXYWXPFNEPLG-QGZVFWFLSA-N 284.403 3.531 30 20 CHED C=CCN(C(=O)Nc1cc(C)ccc1Cl)[C@H](C)COC 666347827 JGCJPGWDKDPWBH-GFCCVEGCSA-N 296.798 3.703 30 20 CHED C=C(CNC(=O)N1C2CCCC1CCC2)c1ccccc1 673194863 JFGVOPSOCUQCCL-UHFFFAOYSA-N 284.403 3.816 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2c(cnn2C(C)C)c1 679232475 CRYRQDCOYYZKJI-UHFFFAOYSA-N 286.379 3.657 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)CCC1 682905139 XJJMMLPDYOXGDG-DOTOQJQBSA-N 269.388 3.579 30 20 CHED C=CCCCn1cc(Br)c2ccsc2c1=O 685585636 JCAGUAFGFONWKD-UHFFFAOYSA-N 298.205 3.792 30 20 CHED C=CCOCC(=O)O[C@@H](C)c1ccc(Cl)c(Cl)c1 729757860 BBDDJZAHKHSTAG-VIFPVBQESA-N 289.158 3.800 30 20 CHED Fc1cccc(Cl)c1C=NN=c1cc[nH]c2ccccc12 730146653 CVXMCFCWSYXFGY-UHFFFAOYSA-N 299.736 3.895 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NN=c2cc[nH]c3ccccc23)o1 730147764 JSHTXYXIQDVTPY-DOMZBBRYSA-N 291.354 3.819 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1cc(C)cc(C)c1 730429881 KAEPTQKRTHUSFG-UHFFFAOYSA-N 282.343 3.838 30 20 CHED CCc1cccc(C)c1N=C1NN=C(C(C)C)CS1 730814443 BLOYQENLOZVPMO-UHFFFAOYSA-N 275.421 3.893 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1csc2ccccc12 732918622 QEWXTSLRKQMIHZ-STQMWFEESA-N 283.400 3.995 30 20 CHED C[C@H](CNCc1ccc(N(C)CCC#N)cc1)C(C)(C)C 734508772 CKLMURPQXCIAPY-OAHLLOKOSA-N 287.451 3.808 30 20 CHED C=CCCCN(Cc1ccc(N(C)C)cc1)C(C)C 735563995 ZTBWJUIPQCCMOC-UHFFFAOYSA-N 260.425 3.929 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 736241600 BNHNSOJZYAJWQL-LBPRGKRZSA-N 295.810 3.620 30 20 CHED O=C(/C=C\c1cnc2ccc(Cl)cn12)c1ccsc1 737443100 FYXHTIVTYDTGQM-IHWYPQMZSA-N 288.759 3.945 30 20 CHED C=C(C)CNC(=S)N1CCCCC[C@@H]1c1ccc(C)o1 737465834 XONYPCSTRQAWPD-CQSZACIVSA-N 292.448 3.956 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CC[C@H](COC)C1 740473698 OQQOMWVXIVQNJN-CVEARBPZSA-N 298.471 3.661 30 20 CHED CCO[C@@H]1CC(=NNc2ccc3ccccc3n2)C12CCC2 741160111 JVBYTURJBYELNC-MRXNPFEDSA-N 295.386 3.982 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2cnccn2)cc1 741846396 ALRPRHHMFYPKSL-AWEZNQCLSA-N 266.348 3.521 30 20 CHED CCCCCCCCCNC(=O)c1cncc(C)c1 742520602 LUUCRABTIHBHNA-UHFFFAOYSA-N 262.397 3.870 30 20 CHED C#C[C@@H](C)OC(=O)CCn1c2ccccc2c2ccccc21 744179131 YCYDBHOHJYCPOH-CQSZACIVSA-N 291.350 3.750 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](COCC)C1 747931860 UFRKJZUGFSTUFG-HNNXBMFYSA-N 269.429 3.622 30 20 CHED C=CCCCC(=O)OCc1cc(Cl)c2c(c1)OCCO2 748224525 BXEIMODJIWOUSZ-UHFFFAOYSA-N 296.750 3.511 30 20 CHED N#Cc1csc(/C=C2/CCOc3ccccc3C2=O)c1 748440097 GTIGFUBYZCDOCM-WQLSENKSSA-N 281.336 3.669 30 20 CHED C=CCCCN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 749506233 VOZJJLRBSYAFAB-SJORKVTESA-N 277.383 3.680 30 20 CHED Cn1c(Cl)cnc1/C=C\C(=O)c1cc2ccccc2o1 752888752 QLUABQWTKUEVIO-SREVYHEPSA-N 286.718 3.716 30 20 CHED CC[C@H](C/N=C/c1ccccc1O)Oc1cccc(F)c1 753137653 JCONSMLQAZOZJX-SKCQWOFPSA-N 287.334 3.808 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@@H]2CCCCS2)cc1 753731343 NFBWTAUIGFPDEX-YOEHRIQHSA-N 289.444 3.635 30 20 CHED COc1cc(F)cc(NN=Cc2c(C)cccc2C)c1 755768730 ITSPTRZGAPNYAC-UHFFFAOYSA-N 272.323 3.897 30 20 CHED C#CCCCCNC(=O)/C=C\c1ccccc1O[C@H](C)CC 758636663 NICBHEKJDWVVQM-OMACXJQVSA-N 299.414 3.797 30 20 CHED CCc1ccc(COC(=O)c2ccc(CC#N)cc2)cc1 758687484 NSFDJTWUGLTFSL-UHFFFAOYSA-N 279.339 3.672 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](CC)C(=O)c1ccccc1 759011438 RYBPWKNFYIHMMW-MRXNPFEDSA-N 286.371 3.960 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C\c1cccs1 759608517 KGABDDVCGGFMEJ-VURMDHGXSA-N 297.383 3.703 30 20 CHED COc1ccc(CCNN=Cc2cc(C)sc2C)cc1 760260800 SZSVCINHCBWTSF-UHFFFAOYSA-N 288.416 3.540 30 20 CHED Cc1ccc(CON=Cc2cccc(F)c2)cc1C 762188450 IWNMZHQTLWZQMK-UHFFFAOYSA-N 257.308 3.993 30 20 CHED CCN(CC)c1ccnc(NN=C(C)C2CCCCC2)n1 762608467 RSYRFEYLOPOUJM-UHFFFAOYSA-N 289.427 3.691 30 20 CHED CCC1(C(=O)Oc2ccc(C#N)cc2F)CCCCC1 763515472 MYSXSPRDPBBXHN-UHFFFAOYSA-N 275.323 3.963 30 20 CHED COCc1ccc(C=NNc2ccccc2Cl)o1 764647995 DMZZPWNNTIWMSU-UHFFFAOYSA-N 264.712 3.525 30 20 CHED O=C(O)c1csc(/C=C/C(=O)c2ccc(Cl)cc2)c1 765822993 CPYQMPMHFFZHBY-AATRIKPKSA-N 292.743 3.996 30 20 CHED C=CCN(CCCC(=O)Nc1c(C)cccc1C)C(C)C 766855510 HIIDYRYSNNMOIE-UHFFFAOYSA-N 288.435 3.919 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1cccc2ccccc12 769379532 KHAPNFGKAYSOEJ-CYBMUJFWSA-N 270.328 3.726 30 20 CHED COc1ccc(/C=C/C(=O)c2occc2C)cc1C 769783240 AZGUBVZZYZTVAC-GQCTYLIASA-N 256.301 3.801 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(-c2ccsc2)cc1 769977502 GSTIKUVICKLTKX-CYBMUJFWSA-N 255.386 3.869 30 20 CHED CCCCCCCCc1nc(-c2ncoc2C)no1 771723291 GLVWIQYSYRFVRW-UHFFFAOYSA-N 263.341 3.936 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(OCC#N)cc1 772957387 FDFLSTRLMDVKDB-IBGZPJMESA-N 292.382 3.675 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1cnn(C(C)(C)C)c1 773124894 IDBCYQIKSJRLPL-CQSZACIVSA-N 276.428 3.530 30 20 CHED C#CCCCNC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 773337114 HJTHAWWKBIFDSL-INIZCTEOSA-N 298.430 3.600 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1cccc(F)c1F 776268404 NHRIFIRMCJIHRC-SNAWJCMRSA-N 285.702 3.971 30 20 CHED Cc1cc(C#N)ccc1CON=Cc1ccc(F)cc1 776743332 QQRQHKJULFUWJO-UHFFFAOYSA-N 268.291 3.557 30 20 CHED C=CCSc1ccccc1C(=O)O[C@@H]1CCCCC1=O 777077484 UDVWTDWIRQVZOZ-CQSZACIVSA-N 290.384 3.633 30 20 CHED Fc1ccc(/C=C/C=NOCCC(F)(F)F)c(F)c1 777461068 UZBFCXJYVCMXNK-RNQMDFJESA-N 279.208 3.933 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccc(F)nc2)c1 777466060 OJIBJWADRBQRFL-ALCCZGGFSA-N 255.292 3.734 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1cc(F)cc(F)c1 779820642 KWZDBKWBLHWCQI-UHFFFAOYSA-N 286.285 3.677 30 20 CHED CCc1oc2ccccc2c1C=NOCCOC(C)C 782310755 XWLUAXSUYOTSJA-UHFFFAOYSA-N 275.348 3.771 30 20 CHED CC(C)(C#N)CC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 782835804 SPYMJEIJUHIAKI-ZIAGYGMSSA-N 278.440 3.895 30 20 CHED C#CCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 783005435 XAYUDMICCDIADI-KRWDZBQOSA-N 284.790 3.632 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2cccnc2)cc1C 783712303 FHUVIEZWPGIQAL-VOTSOKGWSA-N 267.328 3.603 30 20 CHED COc1ccc(CNN=C[C@H]2CCCC[C@H]2C)cc1 783832259 FBMLBSPNNGRJBS-UKRRQHHQSA-N 260.381 3.597 30 20 CHED CC1(C)CCC(=NNc2cncc(Br)c2)C1 783861685 FTNFQBXETANBGP-UHFFFAOYSA-N 282.185 3.822 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)CCCCC 786838501 QMLFXIULGPNLCE-KBPBESRZSA-N 252.402 3.705 30 20 CHED C#CCC1(C(=O)Nc2ccc(SC)cn2)CCCCC1 788225107 QJPJHIDPWQNJDF-UHFFFAOYSA-N 288.416 3.716 30 20 CHED C#C[C@H](C)NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 788534937 SMEUKRFABJDLGT-GJZGRUSLSA-N 293.366 3.578 30 20 CHED CC(C)(C)OCCCCON=Cc1cccc(F)c1 788783217 BVCBNDMDGGGYPC-UHFFFAOYSA-N 267.344 3.772 30 20 CHED c1ccc([C@@H]2CCCC2=NNCCc2ccncc2)cc1 789097538 RNNYIRRTFOIEGQ-KRWDZBQOSA-N 279.387 3.537 30 20 CHED C=C(CC)COC(=O)c1cnn(C2CCCC2)c1CC 789260176 PKZXQVJEBRDQMN-UHFFFAOYSA-N 276.380 3.684 30 20 CHED CC[C@H](C)NN=CC(C)(C)CN(C)Cc1ccccc1 790183941 XIMWGAOWRXZLIX-HNNXBMFYSA-N 275.440 3.519 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(C#N)c2)s1 790330038 RUPLSUATDXZJPP-SNVBAGLBSA-N 288.347 3.558 30 20 CHED C[C@H](NN=Cc1ccc(OCC(F)F)cc1)C(C)(C)C 793112106 PKBOCXBMKFPKTR-NSHDSACASA-N 284.350 3.689 30 20 CHED Cc1cc(C=NNc2cccc(Cl)n2)c(C)s1 793161952 NWLJWROCDMKIEY-UHFFFAOYSA-N 265.769 3.859 30 20 CHED C=CCCCCC[C@@H](C)NC1CCN(C2CC2)CC1 793520637 UUAHTKUXUVAFAY-OAHLLOKOSA-N 264.457 3.728 30 20 CHED C#CCC1(C(=O)NC[C@@H]2CC[C@@H](C)C2)CCCCC1 794264369 UNZHCDHMLDDVJK-HUUCEWRRSA-N 261.409 3.513 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc(OC(C)C)cc1 794545223 JCNWALPUQFKHSA-UHFFFAOYSA-N 288.313 3.740 30 20 CHED Cc1cc(/C=C/C(=O)c2ccnc(F)c2)ccc1F 794719566 PAYXZQPQOZBCAP-HWKANZROSA-N 259.255 3.564 30 20 CHED COCCN(C)N=Cc1ccc(-c2ccc(Cl)cc2)o1 794973315 DETUJCUVOLWNQF-UHFFFAOYSA-N 292.766 3.512 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NNc1cccc(F)n1 795006827 LVPRMFBLTARKON-NSHDSACASA-N 269.323 3.853 30 20 CHED C=CCc1ccc(OCC[C@@H](O)c2ccccc2)c(OC)c1 795199266 KBSHLZGJXFMFOG-QGZVFWFLSA-N 298.382 3.926 30 20 CHED Cc1c(C(=O)O[C@@H](C)C(F)F)sc2ccc(C#N)cc12 797142120 MYGGAGGAHZLZDU-QMMMGPOBSA-N 295.310 3.892 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C\c1ccc2[nH]ccc2c1 798554121 MNTBGCFTCAOQCX-VIHMKRCTSA-N 268.360 3.652 30 20 CHED COc1cccc(C=NNCc2cccc(Cl)c2)c1F 799881242 MTANPJYJFSXIIK-UHFFFAOYSA-N 292.741 3.611 30 20 CHED COc1cccc(/C=C2\Oc3ccc(F)cc3C2=O)c1F 799894157 ZDCVAWPBZKVQSW-AUWJEWJLSA-N 288.249 3.590 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cnc3ccccn23)c(O)c1 799896539 WGBQPDPEEHNLGW-SREVYHEPSA-N 292.338 3.553 30 20 CHED C=CCCCCCCNC(=O)c1cc(C(C)(C)C)on1 805218216 VBPFTLDBFFZALL-UHFFFAOYSA-N 278.396 3.838 30 20 CHED C=CCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1F 805220488 UBTPARUZGMPCBB-UHFFFAOYSA-N 294.326 3.600 30 20 CHED C=CCCCCCCNC(=O)[C@H](F)c1ccccc1 805221602 RXBFUKAYDQWQII-OAHLLOKOSA-N 263.356 3.950 30 20 CHED C=CCCCCCCNC(=O)N(C)C[C@@H](C)CC 806005208 DBHZVGWEZYODOG-AWEZNQCLSA-N 254.418 3.810 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@H](O)[C@@H](C)C1 806944183 TVAROCRRGVNQMV-HOTGVXAUSA-N 298.471 3.539 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@@H](O)[C@@H](C)C1 806944195 TVAROCRRGVNQMV-JKSUJKDBSA-N 298.471 3.539 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1ccc(CC)cc1)C(C)(C)C 807879594 GCTVARKOTGPDRQ-CZUORRHYSA-N 271.404 3.517 30 20 CHED C#C[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(C)(C)C 807880111 RFCBADGYKYIRFL-INIZCTEOSA-N 281.355 3.724 30 20 CHED C#C[C@@H](NC(=O)N1CCC(c2ccccc2)CC1)C(C)(C)C 808314735 YXZCYXXVHQPQLV-QGZVFWFLSA-N 298.430 3.624 30 20 CHED C#C[C@H](N[C@H](C)COC(C)C)c1ccc(Cl)cc1F 809698791 GETWSLIFUPEZDZ-ABAIWWIYSA-N 283.774 3.557 30 20 CHED C#C[C@@H](NC1CCC(C(=O)OC(C)(C)C)CC1)C(C)(C)C 809782502 WNWKABFUDVRWOP-YMAMQOFZSA-N 293.451 3.524 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(C(C)(C)C)on1 810723759 DJYPEHZAVXGGIG-UHFFFAOYSA-N 277.364 3.784 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1nccc2ccccc12 811699110 OVFSWTFVIAZXFL-CMDGGOBGSA-N 275.307 3.837 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc(OC)c(O)c2)s1 811699666 YBXKYTRTUJLSIA-BQYQJAHWSA-N 288.368 3.921 30 20 CHED CC(C)OCCON=C1C[C@H](C)Sc2sccc21 812238809 GYLSEDYJSDRIJV-JTQLQIEISA-N 285.434 3.778 30 20 CHED Brc1cccc2[nH]cc(C=NOCC3CC3)c12 814243488 YXOAUHREZXQWKO-UHFFFAOYSA-N 293.164 3.691 30 20 CHED CC[C@H](C=NNc1nc(C)cc(C)n1)c1ccccc1 814681396 JYQDKWMIGXNXIA-CQSZACIVSA-N 268.364 3.685 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccc(C3CCC3)cc2)nc1 814805898 LEUBEVQAXPIUOC-UHFFFAOYSA-N 296.330 3.703 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1cccc(CO)c1 814811889 XVDWZJZFGLKTBY-UHFFFAOYSA-N 294.398 3.894 30 20 CHED CCC(=NOC/C=C/Cl)c1ccc(F)cc1F 814933959 GUAURXBHYWOLCH-PWCPDNTMSA-N 259.683 3.848 30 20 CHED C=CCC(F)(F)C(=O)N(CCC)Cc1ccccc1F 814943292 MRESJLSHVPHKNC-UHFFFAOYSA-N 285.309 3.776 30 20 CHED CCOc1ccc(NN=Cc2cnc(C3CC3)s2)cc1 814984714 GFJHFCFFYHDRHG-UHFFFAOYSA-N 287.388 3.865 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CC)c1ccccc1OCC 815225805 DTWKNCWERPPNIV-ZDUSSCGKSA-N 297.345 3.864 30 20 CHED CCCN(C(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 815552529 DJFLEJRZRYFXHT-UHFFFAOYSA-N 288.734 3.861 30 20 CHED C[C@@H](NN=C1CC(C)(C)Cc2occc21)c1ccncc1 819815051 LGLRCPSXABFRDZ-GFCCVEGCSA-N 283.375 3.702 30 20 CHED CC(COC(C)C)=NNc1cc(Cl)nc(Cl)c1 819828883 SRMWRGFFPGNQEF-UHFFFAOYSA-N 276.167 3.601 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 821141946 CNRINNAAJMSZBR-UMVBOHGHSA-N 273.376 3.617 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 826861087 ANNKILUJTOJKFZ-SNVBAGLBSA-N 299.201 3.825 30 20 CHED CCc1nocc1/C=C1/COc2cc(C)cc(C)c2C1=O 834416984 AAHDYNOLDDXDGG-QPEQYQDCSA-N 283.327 3.513 30 20 CHED C#Cc1cccc(CN[C@H]2CCCc3nc(CC)sc32)c1 834904047 UYPRYNXPBFHSGC-HNNXBMFYSA-N 296.439 3.854 30 20 CHED CC[C@H](C)[C@H](C=NNc1ccc(OC(F)F)cc1)OC 834952744 WXFKYDMOLPMPBE-GWCFXTLKSA-N 286.322 3.747 30 20 CHED C[C@H]1CC[C@@H](C)C(=NNc2nccnc2C2CCC2)C1 834979814 OHTLVNNZQVUCSV-NWDGAFQWSA-N 272.396 3.968 30 20 CHED C=CC[C@H](OC(=O)[C@H](CCC)OC)c1ccccc1 835324253 REVDYIMSRGNVJB-GJZGRUSLSA-N 262.349 3.662 30 20 CHED C=C[C@](C)(CCOC)COC(=O)C(C)(C)C1CCC1 835336373 FWPHRSBUXTUWIN-MRXNPFEDSA-N 268.397 3.585 30 20 CHED CC#CC(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 837187154 CORJPSAVFCTCLR-ZFWWWQNUSA-N 275.779 3.506 30 20 CHED O=C(C#CC1CC1)N(Cc1ccc(F)cc1)C1CCCCC1 837394858 ILTARLOMDLKNRK-UHFFFAOYSA-N 299.389 3.900 30 20 CHED CC[C@H](CC(C)C)C(=O)OCCCC1(C#N)CCOCC1 838251491 HTFHXKXIGUCOQI-OAHLLOKOSA-N 295.423 3.702 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CSc3ccccc32)C1 839057380 XDMNBUSWQMSDSB-YRGRVCCFSA-N 287.384 3.501 30 20 CHED CC(C)(CC#N)CNCc1ccc(CSC(F)F)o1 839163156 JXTIAUKNEFBKJY-UHFFFAOYSA-N 288.363 3.765 30 20 CHED Cc1cc(OC(=O)CC2CC(F)(F)C2)c(C)c(C)c1C#N 839357091 SZPQZDRXLUIXKR-UHFFFAOYSA-N 293.313 3.824 30 20 CHED COc1cccc(/C=N\Cc2cnccc2C(C)(C)C)c1O 840711480 RAZDSYJSHKZOFN-JMIUGGIZSA-N 298.386 3.712 30 20 CHED CC[C@H](C/N=C/c1c(O)cccc1OC)CC(F)(F)F 840712683 KUNCXRGYOPPAQT-NTOSSWPYSA-N 289.297 3.798 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C\C1CCCC1 843574130 AABISFHBMNMNEJ-KTKRTIGZSA-N 273.376 3.583 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2cc(C)on2)c1 844551552 MIBCHVMIKRWDND-FPLPWBNLSA-N 271.316 3.668 30 20 CHED C=C(C)CON=Cc1ccc(CSC(F)F)o1 844615652 XKQMKWSEVDUVNB-UHFFFAOYSA-N 261.293 3.662 30 20 CHED C[C@H](OC(=O)c1ccn(C)c1-c1ccccc1)C(C)(C)C#N 850906420 JWGUNTAAZYJFOO-ZDUSSCGKSA-N 296.370 3.787 30 20 CHED C=C[C@@H](OC(=O)[C@H]1CCCCS1)c1ccccc1 851451127 CWERQIQZMMMVGH-ZIAGYGMSSA-N 262.374 3.743 30 20 CHED C=C[C@H](OC(=O)[C@@H]1CC12CCSCC2)c1ccccc1 851452539 UJBCEHCSVGIDFU-GJZGRUSLSA-N 288.412 3.990 30 20 CHED C=C[C@H](OC(=O)C1SCCCS1)c1ccccc1 851452812 WYNFXUSJLIKSLO-LBPRGKRZSA-N 280.414 3.653 30 20 CHED C#C[C@](C)(CC)NCc1csc(-c2ccsc2)n1 852099062 CPRQBEWMFFPBCK-CQSZACIVSA-N 276.430 3.763 30 20 CHED C(=NOCC1CCC1)c1cnc(-c2ccco2)s1 853440585 FBWTVILYSFJYIP-UHFFFAOYSA-N 262.334 3.554 30 20 CHED CCCc1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)cc1 854225502 GWYVTBUMPOZTAY-HNNXBMFYSA-N 285.391 3.797 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 855545048 IXMXEKNRASNJLR-HNNXBMFYSA-N 273.376 3.597 30 20 CHED CC1(C)C(c2noc(-c3ccccc3OCC#N)n2)C1(C)C 858845304 GENGMRNJTSJUIJ-UHFFFAOYSA-N 297.358 3.789 30 20 CHED CCCCCCCNC(=O)c1c(C)noc1C(F)(F)F 862358336 CTYOINOFLATBBX-UHFFFAOYSA-N 292.301 3.702 30 20 CHED CCN(C)c1ccc(C(C)=NNc2cccc(C)n2)cc1 863160261 WZXPTXFOCHECIQ-UHFFFAOYSA-N 282.391 3.682 30 20 CHED N#CC1(OC(=O)/C=C/c2ccccc2C(F)(F)F)CCC1 870231961 CXEYYAYLDQRVQF-VOTSOKGWSA-N 295.260 3.708 30 20 CHED Cc1cccc2sc(NN=C3C[C@H](C)n4ccnc43)nc12 872419288 CVPHRDGGRZZZJJ-JTQLQIEISA-N 297.387 3.582 30 20 CHED CSC(C)(C)CCNc1ccccc1O[C@@H](C)C#N 877184893 PBWWUVBCZVEHLX-LBPRGKRZSA-N 278.421 3.921 30 20 CHED C=CCC(CC=C)c1nc(C2(SC)CC2)no1 896783055 GGOFJOMFGCIUGI-UHFFFAOYSA-N 250.367 3.658 30 20 CHED O=C([C@@H]1CCCc2ccccc21)N(O)Cc1ccc(F)cc1 901376398 RYURCKBMDATQAP-QGZVFWFLSA-N 299.345 3.664 30 20 CHED C=C[C@@H](CC)CC(=O)N(c1ccccn1)C1CCCC1 903987850 QQQGLPXMHGOHAQ-AWEZNQCLSA-N 272.392 3.960 30 20 CHED C=C[C@H](CC)CC(=O)O[C@@H](c1ccccn1)C(F)(F)F 904016505 IIDUJVAMOSHBAS-MFKMUULPSA-N 287.281 3.831 30 20 CHED C=CCN(C(=O)c1ccc(Cl)cc1F)C(C)C 914683031 BPSAYHAJGADUGV-UHFFFAOYSA-N 255.720 3.516 30 20 CHED COc1cc(C/N=C\c2ccccc2O)ccc1OC(C)C 914835853 WRIKPRQDKYOFEJ-UNOMPAQXSA-N 299.370 3.807 30 20 CHED N#Cc1ccc(NN=C2CCc3ccccc3C2)cc1 915962758 VWHBOSRJXKKRJJ-UHFFFAOYSA-N 261.328 3.515 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1cc(C)ccc1Cl)C(C)C 916382915 CCFXLWZDLFIRMT-ZDUSSCGKSA-N 295.810 3.839 30 20 CHED C=C(C)COC(=O)[C@@H](C)Sc1ccc(Cl)cc1 916594271 CJBKOVHUDNEXJA-SNVBAGLBSA-N 270.781 3.940 30 20 CHED N#C[C@H](C(=O)CC1CCCC1)c1nc2ccccc2o1 917510118 ONGUKJXNBCTSTK-GFCCVEGCSA-N 268.316 3.584 30 20 CHED COc1ccc(CNN=Cc2ccc3ccccc3c2)cc1 917549449 ZNLCRANFKHLOHS-UHFFFAOYSA-N 290.366 3.972 30 20 CHED Cc1nc(C#N)c(NN=C(CCc2ccccc2)C(C)C)o1 917555416 ZDPMVHBVRWRXKB-UHFFFAOYSA-N 296.374 3.911 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H](C)c1ccc(C)cc1C 918164003 TWDXVLWLVDJHHU-AWEZNQCLSA-N 276.449 3.747 30 20 CHED C=CCc1ccc(OC(=O)C[C@@H](C)C2CC2)c(OC)c1 920789941 IEOVJBQFUDUMON-GFCCVEGCSA-N 274.360 3.765 30 20 CHED CCCCCCCCCN(C)Cn1ncn(C)c1=S 921052149 MIQQXYIWLHWKBU-UHFFFAOYSA-N 284.473 3.591 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 921561496 HYVOACDMANVGFX-RDJZCZTQSA-N 297.402 3.639 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1[C@@H](C)c1ccccc1 928388887 YLLWJNJRUNLZQB-GOEBONIOSA-N 257.377 3.747 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(F)c2occc12 931302351 HMZOZUOWPQELTM-INIZCTEOSA-N 288.322 3.630 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 1116926076 LPJFBJVKNNDMLC-CYBMUJFWSA-N 290.322 3.656 30 20 CHED C#CCCCCc1nnc(-c2ccc3ccccc3n2)o1 1117166128 KVQRWXZXCAMNSD-UHFFFAOYSA-N 277.327 3.631 30 20 CHED Cc1cc(NCC(C)(C)CC#N)nc2ccccc12 1117942905 IROUDMODWORFSG-UHFFFAOYSA-N 253.349 3.895 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)C1CC=CC1)c1cccs1 1123008109 CGGSALYLOOVZRF-BXUZGUMPSA-N 275.373 3.848 30 20 CHED CCN(C(=O)c1ccsc1Cl)c1ccc(C#N)cc1 1126353410 ZDHMIISEEULFCH-UHFFFAOYSA-N 290.775 3.940 30 20 CHED N#Cc1ccnc(CS[C@H]2CCOc3ccccc32)c1 1165818902 ZWTBEKGRRLYYMK-INIZCTEOSA-N 282.368 3.710 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)c1cccc(C)c1)c1ccncc1 1252038056 DCCUSMXNRLBXOR-MAUKXSAKSA-N 294.398 3.927 30 20 CHED N#Cc1cccc(-c2nnc(CC3CCCCC3)o2)c1 1257004399 MUQRTBWWCWWMJP-UHFFFAOYSA-N 267.332 3.731 30 20 CHED C=CCC1(CNC(=O)c2snnc2C(C)C)CCCC1 1262627443 QWZKOHGDFCTRRA-UHFFFAOYSA-N 293.436 3.528 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1sccc1C#N 1264108145 WKJTXKATTWBCEC-UHFFFAOYSA-N 274.320 3.574 30 20 CHED COc1cc(O)ccc1C=NNc1ccccc1Cl 1317930537 TVUJVACBPJSXOG-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C=C(C)CNc1nc(-c2cc3ccccc3oc2=O)cs1 1318197768 CFIMMDLSFQTRHO-UHFFFAOYSA-N 298.367 3.905 30 20 CHED Fc1ccc(CNN=Cc2cc(Cl)cs2)cc1 1321025489 PFEQWUKIAOHIBW-UHFFFAOYSA-N 268.744 3.664 30 20 CHED Cc1ccc([C@@H]2CCN(c3cccc(CC#N)n3)C2)c(C)c1 1321234427 ZTWWDFUVHQOWDW-MRXNPFEDSA-N 291.398 3.758 30 20 CHED CC(C)CCO[C@@H](C)c1nnc(-c2cccc(C#N)c2)o1 1322343402 SMGWRZMDLPQHGH-LBPRGKRZSA-N 285.347 3.732 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)CC#Cc2ccccc2)C1 1323873653 YYMFRMJZFXQFNP-ROUUACIJSA-N 283.415 3.759 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 1324651684 PQEIPXJCALKPHY-AWEZNQCLSA-N 296.414 3.680 30 20 CHED N#CCc1cccc(N2CCC[C@@H](c3ccccc3)C2)n1 1325148445 OOIXBMSXIXUZED-MRXNPFEDSA-N 277.371 3.532 30 20 CHED C=CCC[C@@H](NCc1c(C)cnn1COC)c1ccccc1 1334097217 NNWXNSAULUKLKK-QGZVFWFLSA-N 299.418 3.593 30 20 CHED C=C(C)CCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 1337060208 LKJRPSHTXPPUOQ-OAHLLOKOSA-N 288.435 3.588 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(F)c2cccnc12 1337356630 DSMYKEYSXAZKCQ-LBPRGKRZSA-N 284.334 3.555 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)NCC(C)(C)CCC#N 1470400442 BZZZGXJAQXNBRA-HNNXBMFYSA-N 293.455 3.927 30 20 CHED N#CCc1ccc(NCc2cccc3ncccc23)cc1 1473945398 LIMHBNGVPJDVNS-UHFFFAOYSA-N 273.339 3.913 30 20 CHED CCC[C@H](C(=O)Nc1cc(F)cc(C#N)c1)C(C)C 1535145413 BXMHPJDCYYLLKW-AWEZNQCLSA-N 262.328 3.708 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1cccc(C#N)c1C 1539599410 CCWQZIBESLENCZ-GOSISDBHSA-N 290.366 3.974 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 1583671317 NKEJPSVMHUXYSV-ZFWWWQNUSA-N 288.366 3.642 30 20 CHED C=C[C@H](N[C@H](C)c1ccc(Cl)c2ccccc12)C(=O)O 1588692603 FQOAZRMQNZHPAJ-BMIGLBTASA-N 289.762 3.783 30 20 CHED CC(CCCCC#N)=NNc1ccc(C(=O)O)c(Cl)c1 1592485827 XCSIGCLTAJRBSQ-UHFFFAOYSA-N 293.754 3.910 30 20 CHED Cc1ccc(C[C@@H](Sc2ccccc2C#N)C(=O)O)cc1 1600404715 VALHEXJXVNTWOP-MRXNPFEDSA-N 297.379 3.655 30 20 CHED C=C[C@H](CC)CC(=O)Nc1scc(C2CC2)c1C(=O)O 1602815638 BMNKMHCEGYHSTC-SECBINFHSA-N 293.388 3.865 30 20 CHED N#Cc1c(F)cccc1S[C@H](C(=O)O)c1ccsc1 1608194118 KKAJEVGCFQYOJP-LBPRGKRZSA-N 293.344 3.677 30 20 CHED CC(C)C[C@]1(C)CCCN1Cc1ccc(OCC#N)cc1 1618069264 HKOLNHCTZLMKEX-SFHVURJKSA-N 286.419 3.990 30 20 CHED CSc1ccc(CNc2cccc(CC#N)c2)o1 1620939787 VINKGVAZNLHXFL-UHFFFAOYSA-N 258.346 3.680 30 20 CHED CC[C@H](CC#N)Nc1ccnc(-c2cccc(Cl)c2)n1 1639745446 LKHNCBICGKWPTE-CYBMUJFWSA-N 286.766 3.901 30 20 CHED CC[C@H](N=c1cc[nH]c(C#N)c1)c1cc(C)ccc1C 1640275437 XUKZOYMPDKQREK-KRWDZBQOSA-N 265.360 3.555 30 20 CHED CC(=O)c1c(F)cccc1OCc1ccc(OCC#N)cc1 1644217008 TZRISTSCGWQHDJ-UHFFFAOYSA-N 299.301 3.510 30 20 CHED CC(C)(CC1CCCCCC1)Nc1cc(C#N)ncn1 1655379768 LLWKKSNLCUAJIG-UHFFFAOYSA-N 272.396 3.899 30 20 CHED N#Cc1ccc2c(c1)N(CCC1(C#N)CCCCC1)CC2 1658108977 ASRQXDJQEPONFC-UHFFFAOYSA-N 279.387 3.785 30 20 CHED CC(C)CC(CC(C)C)NC(=O)Nc1ccnc(C#N)c1 1672164886 YYRIAKPHLBEEDN-UHFFFAOYSA-N 288.395 3.536 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1)c1cccc(C)c1 1776037130 AHBYEQLVIXOWBJ-UHFFFAOYSA-N 282.343 3.919 30 20 CHED C=CCC[C@@H]1CCC(=NNc2cccc(C(=O)O)c2)C1 1776038292 BRBZOQQDGFWJCC-GFCCVEGCSA-N 272.348 3.919 30 20 CHED C=C(C)CCCN1C[C@H](c2ccccc2)C[C@@H](C(=O)O)C1 1776138660 VIEYPFAEJFEARH-IAGOWNOFSA-N 287.403 3.533 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@H](C)c2ccccc2Cl)C1 1776157437 MKTPMZZWMZDYPS-MLGOLLRUSA-N 293.794 3.754 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCCCc1ccccc1 4905927 VZQQDTHOMJLAAS-UHFFFAOYSA-N 281.315 3.511 30 20 CHED COc1cc(C(=O)/C=C/c2c(F)cccc2F)ccc1O 8322738 GVUBAYIFSQHUHZ-SOFGYWHQSA-N 290.265 3.575 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)cc1 32417503 NAEQGMQDPURAJC-HZPDHXFCSA-N 284.403 3.893 30 20 CHED N#Cc1ccc(CNc2cccc3cnccc23)cc1 35038536 KGJXXDJCQUTJSS-UHFFFAOYSA-N 259.312 3.719 30 20 CHED COc1ccc([C@H](C)Nc2cccc(F)c2C#N)cc1 36138853 VYXLCHWLBQUEKG-NSHDSACASA-N 270.307 3.879 30 20 CHED Cc1cc(C)cc(C(=O)N[C@H](C#N)C2CCCCC2)c1 40360688 PJVFVEKMJNIAAU-MRXNPFEDSA-N 270.376 3.506 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CCC2CCCC2)n1 41520037 YIDSGAKPRAEPMF-LBPRGKRZSA-N 262.378 3.598 30 20 CHED Cn1ncc2c1CC/C(=C/c1cccc3ccccc13)C2=O 47313353 YPUGIMVMSQSOAU-PTNGSMBKSA-N 288.350 3.786 30 20 CHED CCc1sc(C(=O)N(C)c2cccc(C#N)c2)cc1C 49064410 DPHPSMZHOOLMPJ-UHFFFAOYSA-N 284.384 3.767 30 20 CHED C=C(C)CN(CC)C(=O)CSc1ccc(Cl)cc1 49535219 BOFLEQDIQLHJMD-UHFFFAOYSA-N 283.824 3.857 30 20 CHED CN(CCCCC#N)Cc1ccc(N2CCCCC2)cc1 57626087 DBOPQVNHQZPTAA-UHFFFAOYSA-N 285.435 3.803 30 20 CHED C=C(Br)CNCc1ccccc1C(F)(F)F 61626689 PULIPMLZSICJST-UHFFFAOYSA-N 294.114 3.704 30 20 CHED C=CCN(C(=O)CSc1ccc(O)cc1)c1ccccc1 64037600 HULUFMRXKOKMBE-UHFFFAOYSA-N 299.395 3.704 30 20 CHED N#Cc1cccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 76509208 ATHBBVXRHLDXCX-MRXNPFEDSA-N 294.354 3.909 30 20 CHED N#Cc1cccc(CNCC2(c3ccc(F)cc3)CC2)c1 78499261 UWAZECMVQQAFFU-UHFFFAOYSA-N 280.346 3.519 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(C(F)(F)F)ccc1C 78652074 NTXDXZXTNSNREA-UHFFFAOYSA-N 299.296 3.781 30 20 CHED CCCCN(CC)c1nc(C(F)(F)F)ccc1C#N 78832633 CANNVDMZHUEYFU-UHFFFAOYSA-N 271.286 3.598 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc(Cl)c(C#N)n1 81005506 XCBMKDJHYFMNKR-SUNKGSAMSA-N 275.783 3.764 30 20 CHED CSc1cccc(NC(=O)c2cc(C#N)cs2)c1 84057874 FBEADVJJCJIQGP-UHFFFAOYSA-N 274.370 3.594 30 20 CHED Cc1ccccc1CCCN(CCC#N)Cc1ccco1 84678383 MKYXFORAXMMKDL-UHFFFAOYSA-N 282.387 3.937 30 20 CHED CCO[C@H]1C[C@H](Nc2ccc(CC#N)cc2)C12CCCC2 85679615 KZMZALYFLBSMQC-IRXDYDNUSA-N 284.403 3.902 30 20 CHED COCc1cccc(Nc2snc(Cl)c2C#N)c1 92605993 LWNGOEBOPXOQOB-UHFFFAOYSA-N 279.752 3.558 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccccc1O 96923907 FYNDZYQDQOBNHI-CMDGGOBGSA-N 268.312 3.605 30 20 CHED C=CCCC(=O)Nc1nc2cc(Cl)ccc2s1 102224976 GLVYVBVQNAXRLF-UHFFFAOYSA-N 266.753 3.854 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1CC(=O)OC 103357375 HJLUIEITCRMGKK-OAHLLOKOSA-N 297.439 3.681 30 20 CHED CCCCCCCC(=O)N[C@H](C#N)C1CCCCC1 103488036 CDMCYQMJSGZRJZ-OAHLLOKOSA-N 264.413 3.936 30 20 CHED C=CCNC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 103504855 VNCAKDZBXLWMGW-GFCCVEGCSA-N 278.421 3.733 30 20 CHED CCCCCC(=O)N[C@@](C)(C#N)CCc1ccccc1 110014004 SFGMJTIKOOGLDE-QGZVFWFLSA-N 272.392 3.598 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(Br)cc1 119341491 ZBEDAKKYDKOPBK-NXEZZACHSA-N 254.171 3.674 30 20 CHED Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)ccc1Cl 119637433 WSLVGMJHOPLEGF-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C#CCCCCC(=O)Nc1cccnc1-c1ccccc1 120327195 OUAPMNAYFYVOLC-UHFFFAOYSA-N 278.355 3.881 30 20 CHED CCCC(C#N)(CCC)NC(=O)C1(Cc2ccccc2)CC1 121584560 KHSABOROBDBFNQ-UHFFFAOYSA-N 298.430 3.988 30 20 CHED N#CCCCN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 123887991 CUBQQURHJNKVMW-QZTJIDSGSA-N 286.419 3.658 30 20 CHED C=CCOc1ccc(-c2nnc(SC(C)C)o2)cc1 126299273 QEIQHSDKCIOSII-UHFFFAOYSA-N 276.361 3.802 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 129323320 ACQCSOLLWBSFEQ-ZDUSSCGKSA-N 291.354 3.861 30 20 CHED CC(C)(CCC#N)CNc1ccc2c(c1)CCCC(=O)N2 130414372 LHCOHMNISBSIDS-UHFFFAOYSA-N 285.391 3.703 30 20 CHED Cc1cscc1CNc1c(F)cc(C#N)cc1F 133645252 PJZVEORJVKYDND-UHFFFAOYSA-N 264.300 3.819 30 20 CHED C#C[C@H](OC(=O)c1cccc(-c2nc(C)cs2)c1)C1CC1 134049487 BXNVYZMSNGZPLK-HNNXBMFYSA-N 297.379 3.687 30 20 CHED Cc1ccnc(NCc2ccc(F)c(Cl)c2)c1C#N 135075518 CMQZTQQXCYUQAX-UHFFFAOYSA-N 275.714 3.666 30 20 CHED CSCCNc1c(C#N)cnc2c(F)ccc(Cl)c12 151996042 KMLSVLRFBDHISS-UHFFFAOYSA-N 295.770 3.674 30 20 CHED O=C(/C=C/c1ccc(Cl)c(F)c1)c1cc(O)cc(O)c1 152698542 KEEQWRWBCNMLIE-DUXPYHPUSA-N 292.693 3.786 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H]1CCCc2ccc(F)cc21 155228494 LFNYLEHTUSULFL-BLLLJJGKSA-N 260.356 3.685 30 20 CHED N#Cc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 155487247 COEDRFTZSHGGLA-KRWDZBQOSA-N 278.355 3.562 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C[C@H]1CCCCC1(C)C 158719916 BGEIRXPFVVOWDM-UONOGXRCSA-N 264.413 3.601 30 20 CHED CC(C)C[C@@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 160879945 GPJFBUWQUFHSRL-ZBFHGGJFSA-N 287.407 3.765 30 20 CHED COCc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1 173018075 CODFDDHNXBJVDV-YVLHZVERSA-N 278.351 3.964 30 20 CHED N#CCN(C(=O)CCCC1CCCC1)C1CCCC1 173637855 KRTBOWYPPSNNMV-UHFFFAOYSA-N 262.397 3.642 30 20 CHED C=CCCCC(=O)Nc1ccc(CCSC)cc1 175540586 JSHNAGLYDMMXEB-UHFFFAOYSA-N 263.406 3.887 30 20 CHED CC(C)[C@@H](C(=O)NCCCCC#N)c1cccc(Cl)c1 176488271 AHGFXOKSCUVKKT-OAHLLOKOSA-N 292.810 3.890 30 20 CHED CCS[C@@H]1CCC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 176703989 BVOUXNBXQWBNKA-ZIAGYGMSSA-N 294.464 3.641 30 20 CHED C=C(Cl)CN(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 176915275 OTUYGGIZXUWVBA-DOTOQJQBSA-N 292.854 3.724 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C#N)c1ccccc1Cl 177134279 OSZDDCNPUKEJJY-HNNXBMFYSA-N 288.778 3.789 30 20 CHED CCCCCCCN1CCC(OC[C@@H]2CCCO2)CC1 177474936 YOOCAFOYHYODOU-KRWDZBQOSA-N 283.456 3.617 30 20 CHED C=CCCCC(=O)N1CCCc2cccc(OC(F)F)c21 177853661 ZVVVRIVZIVIJEZ-UHFFFAOYSA-N 295.329 3.924 30 20 CHED C/C(=C\C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 178623558 ACXKQKZZUNUPHP-DBTPVHCXSA-N 268.360 3.504 30 20 CHED C=CCCCC(=O)N(C)Cc1cccc(OC(C)C)c1 179121779 FONBUUKQKCCMCW-UHFFFAOYSA-N 275.392 3.789 30 20 CHED C=CCSCCN[C@@H](CC)c1ccc(OC)cc1 180454470 MXIJVIMBBWCKCO-HNNXBMFYSA-N 265.422 3.655 30 20 CHED C=CCSCCN[C@H](C)c1ccc(OCC)cc1 180456296 LBGAHNJWCDPPRB-CYBMUJFWSA-N 265.422 3.655 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cc(OC)c(OC)cc1C 180954121 LNJCDJADZFXAIT-STQMWFEESA-N 263.381 3.627 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(F)cc(Cl)cc1F 181949206 SNSQDGFVQBKGNH-UHFFFAOYSA-N 274.698 3.658 30 20 CHED C[C@H](Sc1cc(C#N)ccn1)c1nc2ccccc2o1 182310303 RFALKCAVPWEFSI-JTQLQIEISA-N 281.340 3.948 30 20 CHED C[C@@H]1CCCC[C@@H]1CN(CCC#N)Cc1cccnc1 182944818 PLKQAVJRKMJVLQ-NVXWUHKLSA-N 271.408 3.624 30 20 CHED C=CCC[C@@H](NCCC[C@@H]1CCCCO1)C1CC1 183997182 IFAFHTSKJGSWQY-JKSUJKDBSA-N 251.414 3.670 30 20 CHED C=CCCN(CCCCC#N)OCc1ccccc1 187376520 HJRYDWIRMQGPEG-UHFFFAOYSA-N 258.365 3.690 30 20 CHED CC[C@@H](CC#N)OC(=O)CCCc1c[nH]c2ccccc12 187912100 OKMGIDPYVCJAJE-AWEZNQCLSA-N 284.359 3.726 30 20 CHED C=CCCCN(C)C(=O)Nc1ccsc1Cl 189306017 WVXDDMUTWJZXKA-UHFFFAOYSA-N 258.774 3.831 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)CCC1 190064185 JULSLHSDZXQVPB-HZPDHXFCSA-N 293.451 3.833 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2ncccc12 191802580 NARDWXIJLFSXFT-INIZCTEOSA-N 254.333 3.776 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc2ncccc2c1 192977381 YAXFUZPTBFQMEV-UONOGXRCSA-N 254.377 3.925 30 20 CHED CCCCCCCCCN(C)C(=O)c1ncoc1C 194820782 MQOLMGYZSIQNRP-UHFFFAOYSA-N 266.385 3.806 30 20 CHED C/C=C/C=C\C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 209937846 YGEIZVZYAHVASH-BHYHJWACSA-N 295.169 3.807 30 20 CHED C=CCSCCNCc1c(OC)ccc2ccccc12 222062597 YVVFXKWRUGQHID-UHFFFAOYSA-N 287.428 3.857 30 20 CHED CC1(C)[C@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]2CCCO[C@H]21 227079379 IMVKRDYYSKYBKI-NWANDNLSSA-N 290.794 3.827 30 20 CHED CC1(C)CCCN(c2nccc(C#N)c2Cl)CC1 232913906 NHYNFJWHNGFLJJ-UHFFFAOYSA-N 263.772 3.623 30 20 CHED C[C@H]1CCC[C@@H](N(C)c2nccc(C#N)c2Cl)C1 235665884 APLSFMFTYCLQMD-CMPLNLGQSA-N 263.772 3.622 30 20 CHED CC(C)CCOc1ccccc1CNCc1ccc(C#N)o1 236775904 IVCWVCHYQIWGII-UHFFFAOYSA-N 298.386 3.866 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(O)cc(O)c2)c(C)c1 255328906 RTTCOFXATMACSW-WAYWQWQTSA-N 268.312 3.611 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc(Cl)nc1 255583469 URGLYCZYVPCUSS-ALCCZGGFSA-N 297.741 3.950 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(c2ncccc2C#N)C1 266274178 RSUUYTDBXDNTNU-LRDDRELGSA-N 281.334 3.680 30 20 CHED C[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccc(C#N)cc1 266519951 ZJMUYHKEDQFGKW-ZIAGYGMSSA-N 292.382 3.905 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 268117207 ADHDKIJUJTXHDT-UHFFFAOYSA-N 298.386 3.742 30 20 CHED C=CCC(CC=C)C(=O)N(CCC#N)CCC(C)C 268180735 LANSJIWFBFFMFS-UHFFFAOYSA-N 262.397 3.543 30 20 CHED CC[C@@H]1CN(C(=O)NCCCC#N)CC[C@@H]1c1ccccc1 273435366 BGVCSZIHKWOBPN-WBVHZDCISA-N 299.418 3.515 30 20 CHED C#C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 274823848 QOVULXFZRZLENV-NXEZZACHSA-N 299.201 3.718 30 20 CHED C=C[C@@H](CC(=O)N1CCCC[C@H]1C(=O)CC)c1ccccc1 274870189 YZIMALFIRJREAS-RDJZCZTQSA-N 299.414 3.707 30 20 CHED C=CCCN(C)C(=O)C(C)(C)c1cccc(Cl)c1 276335047 FFSXDWUZPVINQQ-UHFFFAOYSA-N 265.784 3.652 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1CCCc1ccccc1 278832898 VFKDGBNNDQPMKO-QGZVFWFLSA-N 298.430 3.940 30 20 CHED CC(C)n1nccc1/C=C1\CCc2ccccc2C1=O 279978240 FEFVXJCGLNYMPD-SDNWHVSQSA-N 266.344 3.677 30 20 CHED Cc1cc(C)cc(OCCCC2(C#N)CCOCC2)c1 281258738 HIQFJGQFDQUKOE-UHFFFAOYSA-N 273.376 3.783 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 281421133 QUWVPSSUPJPQCM-ZFWWWQNUSA-N 290.407 3.752 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC1(c2ccccc2)CCCC1 285003277 AYERNWSCNGYLIC-KRWDZBQOSA-N 284.403 3.554 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ncc(-c2ccccc2)s1 285049852 ITXRGBSCYGOGRD-HNNXBMFYSA-N 285.372 3.688 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OC(F)F)cc1F 292281864 HRRCOPQTTNEQGH-UHFFFAOYSA-N 287.281 3.968 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 292771976 LJUBAMVCTKUIME-CQSZACIVSA-N 297.402 3.652 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccco1 293069078 SCCGTNWNKSQTSD-LBPRGKRZSA-N 286.379 3.522 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](c1ccccc1)C(F)F 293717196 BPPOLUCODTVYLA-CQSZACIVSA-N 279.330 3.877 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1O[C@H](C)C#N 295626087 AWALPLKLEGMADR-MCIONIFRSA-N 286.375 3.742 30 20 CHED C=CCCCCCN(C)C(=O)c1coc2c1C(=O)CCC2 295775217 IUDWWKZEFXFWCL-UHFFFAOYSA-N 289.375 3.617 30 20 CHED C[C@H]1Cc2ncn(CCCC(C)(C)C#N)c2C[C@@H]1C 295911369 IYCRXKWUNRFVPV-STQMWFEESA-N 259.397 3.584 30 20 CHED C[C@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1C#N 301116924 ZDRNWHPFOOZIRI-LLVKDONJSA-N 299.305 3.649 30 20 CHED N#Cc1cc(F)ccc1NCc1cc2ccccc2[nH]1 301401532 IZUCBHRVFMQVRZ-UHFFFAOYSA-N 265.291 3.791 30 20 CHED CC(C)CC[C@@H]1CCCCN1c1cccc(C#N)n1 301766484 IDSJFOBTUGYGEM-HNNXBMFYSA-N 257.381 3.748 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(c2cccc(F)c2C#N)C1 302121578 GIVGTJKNBACACM-SJCJKPOMSA-N 281.334 3.680 30 20 CHED C=CCN(CCOC)c1cc2ccccc2c(Cl)n1 302656668 CZWZMHMVPNPWRU-UHFFFAOYSA-N 276.767 3.527 30 20 CHED N#Cc1ccc(Sc2nc(-c3ccccc3)co2)nc1 302824803 LZVFOQFZAMKNFI-UHFFFAOYSA-N 279.324 3.759 30 20 CHED C=C(Br)CN1CCC[C@H](C(C)C)CC1 303592244 HZIWKWQHYVZGAQ-LBPRGKRZSA-N 260.219 3.653 30 20 CHED C#CCCCOC(=O)C(C)(C)c1cccc(Cl)c1 303769401 JBVOKIOFYUFAGI-UHFFFAOYSA-N 264.752 3.574 30 20 CHED N#Cc1ccc(NC[C@H]2C[C@H]3CC[C@H]2O3)cc1C(F)(F)F 314517479 OFLCZRPEUHXIBG-MPKXVKKWSA-N 296.292 3.556 30 20 CHED Cc1ccc2oc(C(=O)N(C)c3ccc(C#N)cc3)cc2c1 315542104 KLRXQKSQMLIJRY-UHFFFAOYSA-N 290.322 3.890 30 20 CHED O/C(=N/CCC1=CCCCC1)c1ncoc1C1CC1 328685250 FMSZTGNUUFNOHJ-UHFFFAOYSA-N 260.337 3.747 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cccc(-c3cnco3)c2)CCC1=O 328938335 GQZDRAZOULBGAZ-AAEUAGOBSA-N 298.342 3.935 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 329802794 ZFXLTTBBPXFFPX-OJDJGZDQSA-N 288.391 3.990 30 20 CHED CC1(/N=C(/O)[C@@H]2CCC(=O)c3cccn32)CCCCC1 329836850 HZHOUSADAIVCFJ-ZDUSSCGKSA-N 274.364 3.685 30 20 CHED CC(C)c1cnc(N/C(O)=N/C[C@H]2CCCCS2)s1 330242070 FZNVDIDHAWLPSJ-SNVBAGLBSA-N 299.465 3.878 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)C1CC1)c1ccc(Cl)c(Cl)c1 331832458 JRGZSWGAJVHKIK-AMIZOPFISA-N 297.185 3.515 30 20 CHED CC1(C)CC[C@@H]1NC(=O)Nc1ccc(C#N)c(Cl)c1 332476053 NSSOOEXDXACNBR-LBPRGKRZSA-N 277.755 3.522 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1C(F)(F)F 334376695 FKVNDHVFLNKYMM-UHFFFAOYSA-N 294.232 3.731 30 20 CHED CC[C@@H](c1ccc(C#N)cc1)N1CCC[C@]2(CCOC2)C1 334531017 NGVCAVAAVIXYBP-ROUUACIJSA-N 284.403 3.512 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(C(F)F)CC1 334662776 DILRTAAURBUEHA-LLVKDONJSA-N 264.319 3.596 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)C)c(Cl)c1C 335987211 QRVBBSPUKQMNHT-OAHLLOKOSA-N 278.783 3.625 30 20 CHED Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c(F)c1 336182930 QFJJNCXYLZFNEG-GFCCVEGCSA-N 282.318 3.748 30 20 CHED Cc1c(C(=O)N(C)[C@@H](C)CC#N)sc2cccc(F)c12 336382693 CITICMUYXVDPFW-VIFPVBQESA-N 290.363 3.723 30 20 CHED CC[C@@H]1CCCN(C(=O)c2cccc(C#N)c2C)CC1 337870063 QLXFBKVWCRRRKM-CQSZACIVSA-N 270.376 3.519 30 20 CHED C=CCOc1ccc(-c2nc3cnccc3s2)cc1OC 338240873 YNMNFTSXFLYFMM-UHFFFAOYSA-N 298.367 3.932 30 20 CHED C=CCCC1(C(=O)NCc2cc(-c3ccccc3)on2)CC1 341222974 GETYCCLSXHWINJ-UHFFFAOYSA-N 296.370 3.704 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2ccnc(C#N)c2)C1 342412871 LPVWRKZMWYYDMF-GJZGRUSLSA-N 277.371 3.644 30 20 CHED N#CC1(CN2CCC[C@@H]2Cc2ccccc2Cl)CC1 343137979 GDIXBHLUWTWZTH-CQSZACIVSA-N 274.795 3.651 30 20 CHED N#CC1(CN2CCC[C@H]2c2cccc(Cl)c2)CC1 343161370 NBLUUYWPSJOWLN-AWEZNQCLSA-N 260.768 3.781 30 20 CHED N#CCc1ccc(COc2ccc3c(c2F)CCC3=O)cc1 344584902 DURAUTVYIVBGCD-UHFFFAOYSA-N 295.313 3.600 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 346929573 NEZOJEBFYBTWJW-UHFFFAOYSA-N 292.382 3.857 30 20 CHED CCSc1cccc(CN2CCC(F)(C#N)CC2)c1 348714435 YTMIUSPENNZXCK-UHFFFAOYSA-N 278.396 3.626 30 20 CHED CCC[C@H](OC)c1noc(C[C@H](CC#N)c2ccccc2)n1 351140837 ZALFWOMPVCTZGV-GJZGRUSLSA-N 299.374 3.797 30 20 CHED C=C(C)COCCN[C@H](CCC(C)C)c1ccoc1 353625584 VZCKWKXFILCNDF-MRXNPFEDSA-N 265.397 3.939 30 20 CHED C=CCCC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 354318995 NCWDWMJZINHCKZ-UHFFFAOYSA-N 298.386 3.720 30 20 CHED CCCCCN(Cc1ccc(Cl)cc1)C(=O)CC#N 356849699 VLBLOICBJXSQLQ-UHFFFAOYSA-N 278.783 3.772 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H]2Cc3ccccc32)c1C#N 358610713 VUYVWFLTSQPFMY-CQSZACIVSA-N 296.395 3.769 30 20 CHED CC[C@@H](CC#N)NCc1cc2c(C)cc(C)cc2[nH]1 361158328 ZVWRRPNQEVCNDC-ZDUSSCGKSA-N 255.365 3.567 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1-c1noc(C)n1 361330558 HHSYPOHTJZWIBF-UHFFFAOYSA-N 297.358 3.752 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccccc2CC#N)nc1 362195744 XXSVUSRYGHGKNF-UHFFFAOYSA-N 279.343 3.523 30 20 CHED CC1(C)CN(Cc2cc(F)ccc2C#N)[C@@H]2CCC[C@@H]21 378846673 STQXWGHQSFBLEA-JKSUJKDBSA-N 272.367 3.708 30 20 CHED C=C(Br)CN(C)C1CCC(CC)CC1 389302101 MJCVKHJNRYUVOS-UHFFFAOYSA-N 260.219 3.796 30 20 CHED C[C@@H](CCC1CC1)N[C@@H](C)c1ccc(OCC#N)cc1 398135163 XLHSKDWZCNNZAW-KBPBESRZSA-N 272.392 3.818 30 20 CHED CCC[C@@H](NCc1ccc(C#N)c(F)c1)C1CCC1 404235325 TUHQZHXUPKPBAK-MRXNPFEDSA-N 260.356 3.756 30 20 CHED CCC[C@H](CC(C)C)C(=O)N[C@@H](C#N)C(C)(C)C 410546308 MGZCEVMYKRSZJJ-OLZOCXBDSA-N 252.402 3.503 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCc1c[nH]c2cc(C)ccc12 410825098 FGBQPVCLILNMFC-OAHLLOKOSA-N 297.402 3.560 30 20 CHED C[C@H]1SCCN(CCC2(C#N)CCCCC2)[C@@H]1C 411282120 WYFDXTHQQXTBKP-ZIAGYGMSSA-N 266.454 3.676 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1cccc(Cc2ccccc2)c1 413398491 HWEUCUDRIIXVFZ-SFHVURJKSA-N 292.382 3.555 30 20 CHED CC[C@H](C)C[S@@](=O)CCC1(C#N)CCCCC1 414243006 JCVKNZMRQVGRQU-GUYCJALGSA-N 255.427 3.645 30 20 CHED Cc1occc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 414392625 BSQSTUHUDAZRAR-ZWKOTPCHSA-N 280.371 3.860 30 20 CHED CC[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1CC1(C)C 416744869 YQLAKHUQCUOGDD-HOTGVXAUSA-N 299.418 3.524 30 20 CHED C=CCOCCSCc1csc([C@@H](C)OCC)n1 419429838 VBNZEDVFUUIWSG-LLVKDONJSA-N 287.450 3.676 30 20 CHED C[C@H](CCc1ccsc1)NCc1ccc(C#N)s1 421351045 NJEINGYKOXWPHV-LLVKDONJSA-N 276.430 3.792 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(OC)c(OC)c2)no1 424222401 MLZRMEFLFAMYLN-UHFFFAOYSA-N 288.347 3.608 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@H](C)C2 424318182 CPXSAVKJMXMIDT-IARIHHJXSA-N 254.377 3.510 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cc(CC)ccn2)no1 424358889 HBZGPMGQAHMLGZ-UHFFFAOYSA-N 257.337 3.548 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C(C)C)CC1 424671759 WVIDSUPBRZEILJ-CQSZACIVSA-N 251.414 3.873 30 20 CHED N#Cc1c(N[C@@H]2CCc3cc(F)ccc32)ncc2c1CCC2 425204507 ACHRMLDFHBBUFM-QGZVFWFLSA-N 293.345 3.680 30 20 CHED N#Cc1c(N[C@H]2CCCc3sccc32)ncc2c1CCC2 425245658 UVGBOAOGPPARTP-HNNXBMFYSA-N 295.411 3.993 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccccc2OC)no1 426338577 GPGWYTCDWNRCEF-UHFFFAOYSA-N 272.348 3.523 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@@H]2c2ccccc2)cn1 426889977 PLTYGBNKOZYAPK-SJORKVTESA-N 263.344 3.701 30 20 CHED CCC(CC)n1nccc1C(=O)Nc1cccc(C#N)c1C 432327781 UTWRUUAKTYOUEI-UHFFFAOYSA-N 296.374 3.677 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(Cl)c1Cl 432748067 RLTWOQDMDHUJQS-ZETCQYMHSA-N 263.193 3.789 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)CCO2 433256506 PRCUBEBAWCGLHU-CQSZACIVSA-N 292.382 3.686 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](c1ccc(F)cc1)C(C)C 434621536 UKMZQMSPGIUCFS-DLBZAZTESA-N 279.399 3.782 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@H](C(C)C)C1 435729587 DNECFVOGWXYZCJ-YVSFHVDLSA-N 265.441 3.772 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(C(C)C)cc1 435749384 SZDNZITVWDKJSQ-ZWKOTPCHSA-N 273.420 3.881 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(O)cc2Cl)no1 436520658 IEPDVDAIKYKIDN-UHFFFAOYSA-N 286.665 3.764 30 20 CHED CC1=C(C(=O)Nc2cc(C#N)ccc2OC(C)C)CCC1 437280291 ZCZZQBUCXHEEKC-UHFFFAOYSA-N 284.359 3.784 30 20 CHED N#C[C@H]1CC[C@H](NCCSc2ccc(Cl)cc2)C1 442634710 HOCPVCARAYIZTR-AAEUAGOBSA-N 280.824 3.714 30 20 CHED COc1cc(CN2C[C@H](C)[C@@H]2c2ccccc2)ccc1C#N 442890083 MTWWKOUAYCUQJJ-IFXJQAMLSA-N 292.382 3.760 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(N2CCNC2=O)cc1C 442962853 FRTPWCUQXCKFFT-CQSZACIVSA-N 287.407 3.681 30 20 CHED Cc1cc(CNCCO[C@H]2CCCC[C@@H]2C)ccc1C#N 443969132 RKOGCDYBSYHAHY-KSSFIOAISA-N 286.419 3.552 30 20 CHED C=CC[C@@H]1N(Cc2ccc3c(c2)nnn3C)CCCC1(C)C 444772838 BMLBBTIUQDOMMG-KRWDZBQOSA-N 298.434 3.535 30 20 CHED C=CCC[C@@H](CCC)NCC1CCN(C2CC2)CC1 446889426 WXBGOFWQCHHMPM-MRXNPFEDSA-N 264.457 3.585 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC)c(Br)c1 448961007 ILQWSPQBJMHGFF-UHFFFAOYSA-N 298.180 3.608 30 20 CHED N#Cc1ccc(CNC[C@@H]2CSc3ccccc32)s1 449365073 OTSXXEPTKINESP-LLVKDONJSA-N 286.425 3.599 30 20 CHED C=CCC1(C(=O)Nc2cnc(CC)nc2)CCCCC1 450187163 YMVUOPPPSGPWPY-UHFFFAOYSA-N 273.380 3.504 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 450466202 IAJKIZIELDIAPN-IAGOWNOFSA-N 271.404 3.995 30 20 CHED Cc1cc(C#N)cc(N2[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]2C)n1 450571217 QWDLOGCXRYUSGT-LOWVWBTDSA-N 297.324 3.817 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1Br 454133918 JZHWOCIPIBJXMY-UHFFFAOYSA-N 283.169 3.537 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1CCC(CSC)CC1 454918625 RXYUGXJSJPGUBS-ROKHWSDSSA-N 284.469 3.562 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@H]2C[C@H]3CC[C@H]2O3)CCCC1(C)C 456035993 JIJRGXJHLCBHQO-FPCVCCKLSA-N 291.435 3.537 30 20 CHED CC(C)[C@]1(C)C[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 458577531 PPWCVWPURIBSRS-BQFCYCMXSA-N 299.418 3.765 30 20 CHED N#Cc1ccc(CCC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 460476072 ABXPXJIYPQCBCG-FGTMMUONSA-N 296.414 3.576 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H](C)C1CCC1 460775814 AQXWKKIMKFSVSV-ZDUSSCGKSA-N 276.428 3.602 30 20 CHED C=CCCCCNC(=O)c1cc(-c2ccc(C)cc2)no1 471698535 VUBJIULOSFUMPV-UHFFFAOYSA-N 284.359 3.736 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 473930305 ZHPBTACFTORPQC-JTQLQIEISA-N 276.311 3.508 30 20 CHED C=C(C)[C@@H](N[C@H](C)C1CCOCC1)c1ccc(F)c(F)c1 474932748 UMCHLEZTZUYTJT-SJKOYZFVSA-N 295.373 3.987 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 476427900 BKOUJQQBKKEWRO-YESZJQIVSA-N 290.451 3.953 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)CCCC(F)(F)F)CC1 477084123 FIKUKCAZRCCWNS-NSHDSACASA-N 277.330 3.970 30 20 CHED C=C(C)[C@H](N[C@H](C)[C@@H](C)OC)c1ccc(F)c(F)c1 480666920 QJGSHMLGKYJJGF-HFAKWTLXSA-N 269.335 3.595 30 20 CHED C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)CC12CCCCC2 483304341 JENXFODLGBZETC-OAHLLOKOSA-N 285.435 3.689 30 20 CHED C=C(C)CNC(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 488561744 QVVNBYZLCMNVRJ-BBRMVZONSA-N 272.392 3.575 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1c[nH]c2cccc(C)c12 488871155 USYWIBHTFDQDKV-OAHLLOKOSA-N 282.387 3.586 30 20 CHED C=CCn1cccc1C(=O)Nc1sc(CCC)nc1C 488903584 YLQBPIXRUKIROR-UHFFFAOYSA-N 289.404 3.644 30 20 CHED CC(C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 490889640 RHHLXNLNVFEIRF-UHFFFAOYSA-N 281.311 3.916 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(C(F)F)ccc1Cl 491736543 NNCJDEYXLLMKIA-MRVPVSSYSA-N 286.709 3.763 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)C/C(C)=C\c1ccccc1 494828878 JCSVDEIVMPBZHD-IKESIWSLSA-N 272.392 3.696 30 20 CHED CC1(C#N)CCC(Nc2ccc(N3CCOC3=O)cc2)CC1 496011630 DDGLYUVUXFHLDI-UHFFFAOYSA-N 299.374 3.528 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)o1)CC2 501723322 KPFJSDBTKJGZRL-INIZCTEOSA-N 294.354 3.692 30 20 CHED CCCN(CC1CCCCC1)C(=O)Cc1ccc(C#N)cc1 502137656 IQMCOUDWUVFMTF-UHFFFAOYSA-N 298.430 3.920 30 20 CHED CC(C)(C)c1ccc(CN2CCC(F)(C#N)CC2)cc1 510886608 DVKYRFUBXKIJJC-UHFFFAOYSA-N 274.383 3.812 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1C[C@H]2CCC[C@@H](C2)C1 511881022 XWRZVJGZPRXVIG-KBMXLJTQSA-N 254.377 3.741 30 20 CHED C=C(CNC(=O)N1[C@@H](C)CC[C@@H]1CC)c1ccccc1 512660471 NLORPTGFIZEETM-HOCLYGCPSA-N 272.392 3.672 30 20 CHED CC#CCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 514975665 GAWWBWFQBCFBSH-LJQANCHMSA-N 279.383 3.592 30 20 CHED Cc1[nH]c(C#N)cc1-c1nc(C2CCCCCC2)no1 520812964 LETFOKSEPJCZMF-UHFFFAOYSA-N 270.336 3.683 30 20 CHED CC1(C)CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 526946846 IBGPFDDQTXEXOP-ZDUSSCGKSA-N 290.794 3.910 30 20 CHED C=C(C)CN1CCC(NCc2ccc(C(F)F)cc2)CC1 527517844 BNPJGXHFMLAMGX-UHFFFAOYSA-N 294.389 3.754 30 20 CHED CCC(C#N)(CC)C(=O)N(Cc1ccccc1Cl)OC 529411462 SLLOWBUMKPYZHP-UHFFFAOYSA-N 294.782 3.560 30 20 CHED CCN(CC)C[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 530714328 DVQVFHVYUJGCEL-RBUKOAKNSA-N 299.462 3.548 30 20 CHED C[C@H]1c2ccccc2CCN1CCOc1ccccc1C#N 531140225 KHIXWOBJNXKZKR-HNNXBMFYSA-N 292.382 3.556 30 20 CHED Cc1cn(Cc2ccccc2C(C)(C)C#N)cc1C#N 533228355 UHYNADIIPMMFKA-UHFFFAOYSA-N 263.344 3.518 30 20 CHED Cc1cccc2c1CC[C@@H]2NCc1ccc(C#N)cc1F 533308833 OXVVCTVNFLZGQB-SFHVURJKSA-N 280.346 3.783 30 20 CHED CC(C)Oc1cccc(CN(CCC#N)C(C)C)c1 536645250 BLQCSFAHOMUVNV-UHFFFAOYSA-N 260.381 3.598 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(CC(C)C)cc1 538195306 QBUBFERTVIMNOX-WBVHZDCISA-N 275.436 3.720 30 20 CHED C[C@H](C#N)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 542695814 FEVJPSXPYAPGEY-WBMJQRKESA-N 258.340 3.511 30 20 CHED C=CCCCc1nc(-c2ccc(N(C)C)cc2C)no1 544983151 WVDKAPVZSGBIFC-UHFFFAOYSA-N 271.364 3.620 30 20 CHED C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCC1 549634605 SBOMBGBVPLGEIT-UHFFFAOYSA-N 296.418 3.684 30 20 CHED N#Cc1ccnc(NC/C=C/c2ccccc2)c1Cl 553380091 IDNBFHFHVSHGLR-QPJJXVBHSA-N 269.735 3.732 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCC12CCCC2 556178914 PCDNTMHWDDSMMB-XHSDSOJGSA-N 263.425 3.670 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](CC1CCCC1)C(C)C 557383728 PUIDLGFLZZPIIF-INIZCTEOSA-N 276.424 3.767 30 20 CHED CCc1nc(C)cc(Oc2cc(C)c(C#N)c(C)c2C)n1 557763391 SFEDTDMHWGJBPS-UHFFFAOYSA-N 281.359 3.937 30 20 CHED COc1ccc([C@@H](N=c2cc(C)[nH]c(C#N)c2)C(C)C)cc1 561106900 XIQWDARDNGIDRA-SFHVURJKSA-N 295.386 3.501 30 20 CHED N#CCc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1 563833811 GTVIHDQEHDHVNQ-SFHVURJKSA-N 294.373 3.881 30 20 CHED COc1cccc(CSc2nccc(C#N)c2Cl)c1 567098794 CBEKXRZCTUSVNW-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=CC[C@H](CC)NCCc1ccc(F)cc1Cl 577805485 VZHOOVNWNZRMID-ZDUSSCGKSA-N 255.764 3.966 30 20 CHED C=C(C)C[C@H](C)c1nc([C@@H](C)c2ccncc2)no1 581037734 QQMRWZPUDOLMRO-RYUDHWBXSA-N 257.337 3.686 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@@](C)(C#N)C2CCCCC2)C1 581092187 YAMBSMBBDLLFQJ-DYVFJYSZSA-N 276.424 3.791 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(O)c2ccccc12 582216918 JFRLELZAGDGMDA-UHFFFAOYSA-N 292.338 3.785 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)cn2)c1 584566279 VVFFBNXMFUDRGO-SFHVURJKSA-N 277.371 3.599 30 20 CHED COc1ccc([C@@H](C)N(C)C(=O)CCCCCC#N)cc1 588274570 MLGVOXPLLBGPMY-CQSZACIVSA-N 288.391 3.689 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C2CC2)C1 588977771 IVPKPXQKFKKROK-CXAGYDPISA-N 254.377 3.741 30 20 CHED CCCC[C@H](C)N(C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 589648474 ORHKCLZESQNBLA-GUYCJALGSA-N 299.418 3.766 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@]12CCC[C@@H]1C2 591515470 OBDCEEVZKNXSCI-IAQYHMDHSA-N 274.751 3.535 30 20 CHED C[C@H](C[C@H]1CCCCCN1)N[C@H](C)c1cccc(C#N)c1 591571004 SKQZWQHEPXDANV-IIDMSEBBSA-N 285.435 3.520 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1nc2c(s1)CCC2 591839081 CCNVGEWSFWFZFN-LBPRGKRZSA-N 297.427 3.696 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl 593557464 BZSNLURJDLLDHB-ZJUUUORDSA-N 299.201 3.590 30 20 CHED CC[C@H](CC#N)NC(=O)c1coc2ccc(Cl)cc12 593606507 TUVHRTOMBNELAY-SNVBAGLBSA-N 276.723 3.508 30 20 CHED CC[C@@H](C#N)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 593657089 LPCBKDPTMIALCI-GXTWGEPZSA-N 270.376 3.713 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C1CCCCCC1 593955635 RMJWXKORQOPERZ-HNNXBMFYSA-N 298.430 3.918 30 20 CHED CC(C)C(NC(=O)[C@H](C)Cc1ccc(C#N)cc1)C(C)C 593993534 VNICOASIDFCTJE-CQSZACIVSA-N 286.419 3.534 30 20 CHED CCC[C@@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CCC1 594368882 QUXGMETYIPGVAO-RDTXWAMCSA-N 298.430 3.822 30 20 CHED C=CCCSCCNc1ncnc2scc(C)c12 594660261 MKEVFXSKPJDSBB-UHFFFAOYSA-N 279.434 3.721 30 20 CHED CC[C@@H](COc1ccc(C#N)cc1OC)CC(F)F 594879885 BJWMBFKCEGCBGC-SNVBAGLBSA-N 269.291 3.627 30 20 CHED N#Cc1ccc(OCCN2CC[C@@H]2c2ccc(F)cc2)cc1 595699758 AGWMMGYWPKBIDK-GOSISDBHSA-N 296.345 3.523 30 20 CHED CC(C)(C#N)CCCCN1CCC([C@H]2CCCCO2)CC1 595785165 VWLGKROXYJBNIY-QGZVFWFLSA-N 292.467 3.988 30 20 CHED CC(C)c1cccc(C[S@@](=O)CCC(C)(C)C#N)c1 596040140 PDVNWFOMRDDMOK-IBGZPJMESA-N 277.433 3.999 30 20 CHED CCc1cccc(C)c1NC(=O)N1CCC[C@H](CC#N)C1 596626619 LUOAWBYCPGXWJJ-CQSZACIVSA-N 285.391 3.715 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H](CC#N)C1 597911638 ALVPGKJYDZTOLX-HOTGVXAUSA-N 276.424 3.745 30 20 CHED CCCc1ccc(/C=C(/C)c2nc(=O)c(C#N)c(C)[nH]2)s1 598698203 QAAVFMHSCIJGNI-NTMALXAHSA-N 299.399 3.525 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C(C2CCC2)C2CCC2)n1 598859769 YKZHSQPWEVNZDR-UHFFFAOYSA-N 297.402 3.725 30 20 CHED C=CCCSCCNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 600090669 MJWZXHIBVDYWLT-JKSUJKDBSA-N 289.444 3.524 30 20 CHED N#CCc1ccccc1C(=O)N1CCCC2(CCCCC2)C1 601156567 YOGZIXGRWWUHDD-UHFFFAOYSA-N 296.414 3.939 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)CC1=CCCCC1 602387019 OETWEOIMJUWSKK-UHFFFAOYSA-N 286.350 3.881 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)Nc1ccccc1Cl 602489172 HKYRZZCIFBVFIP-LBPRGKRZSA-N 278.783 3.851 30 20 CHED Cc1ccccc1[C@H]1CCCN1CC1(CC#N)CC1 602763833 DUGYECYCPODVMG-MRXNPFEDSA-N 254.377 3.826 30 20 CHED CC(C)(C#N)CCCn1cc(-c2c(F)cccc2F)nn1 603258537 DEFLRKVWMJMXTO-UHFFFAOYSA-N 290.317 3.553 30 20 CHED C=CC[C@H](C)NC(=O)COc1ccccc1-c1ccccc1 604880053 NFCKWYCXKQKNSO-HNNXBMFYSA-N 295.382 3.813 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@H](C)C1 606922066 KTVGZGVRCBDXCK-LSDHHAIUSA-N 266.429 3.953 30 20 CHED C=C1CCN(C(=O)[C@H](CC(C)C)c2ccccc2)CC1 607111863 YAIOOQNYIQOHEL-QGZVFWFLSA-N 271.404 3.995 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 609569686 PZWDSIXNUZEFJI-INIZCTEOSA-N 284.403 3.598 30 20 CHED N#CC1(CN2Cc3ccccc3-c3ccccc32)CC1 611430638 SFTLPQUEAHCGSR-UHFFFAOYSA-N 260.340 3.977 30 20 CHED CC(C)(CNC(=O)N1CCC[C@](C)(C#N)C1)C1CCCC1 612145654 SOUCVXYGFKZBIA-QGZVFWFLSA-N 291.439 3.538 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cccc(-c3cccnc3)c2)C1 612406079 HZHQMUMYSLZJOI-IBGZPJMESA-N 291.398 3.874 30 20 CHED CC1(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCCCC1 618789969 SKRUORMSXXMLMG-MRXNPFEDSA-N 282.387 3.632 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccsc1 618803000 GKGLWZKKSAENCD-ZBEGNZNMSA-N 268.385 3.958 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cc(F)c(C)cc1F 620855556 GCYJIBHHWOEEJA-UHFFFAOYSA-N 281.346 3.677 30 20 CHED C=CCN(C(=O)COC[C@@H](C)c1ccccc1)C(C)(C)C 622945786 SRRDYCLZGUPRSV-OAHLLOKOSA-N 289.419 3.620 30 20 CHED C=C(C)[C@H](CC(=O)N(CCCC)c1ccccn1)OCC 637720440 FNPLWQOHXNGHNJ-HNNXBMFYSA-N 290.407 3.586 30 20 CHED C=CCC(C)(C)c1noc(-c2coc(C3CCC3)n2)n1 645623179 RYNGEZVHVJPPNS-UHFFFAOYSA-N 273.336 3.846 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3ccco3)C2)CCCC1 648924675 KDMTYOOFZUUMAX-AWEZNQCLSA-N 273.376 3.732 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](CCO)c1ccccc1 657889712 TVQHKOPJUIZBAV-QRVBRYPASA-N 287.447 3.877 30 20 CHED C=CCN(C(=O)Nc1cccc(C(F)F)c1)[C@H](C)COC 665932604 WQGQIQAPCZDCSR-LLVKDONJSA-N 298.333 3.679 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1c2ccccc2O[C@H]1C 673560991 CUQRZPILBMFYFW-HEHGZKQESA-N 288.391 3.553 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccn([C@H](C)c2ccccc2)n1 675386273 WAGVPQDLBSQIPH-ZIAGYGMSSA-N 298.390 3.579 30 20 CHED C=CCCCCNC(=O)C[C@@H]1CCc2ccccc21 681144743 BBQOLRDUOGEOFF-HNNXBMFYSA-N 257.377 3.579 30 20 CHED C=CCCOCC(=O)Nc1ccc(C(C)(C)CC)cc1 684159477 QHGYKZLBGZVZKQ-UHFFFAOYSA-N 275.392 3.905 30 20 CHED C=C(CNCC1Cc2ccccc2C1)c1ccccc1 685840532 LLFSXXUARZHVHY-UHFFFAOYSA-N 263.384 3.704 30 20 CHED C#CCN(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 688821280 DWRJXMWTECWKPC-HRCADAONSA-N 273.420 3.607 30 20 CHED C#C[C@@H](NC(=O)/C=C\c1ccc(Cl)s1)C(C)(C)C 702239353 KTYBAIMKAUIBMV-GXMKHXEJSA-N 281.808 3.579 30 20 CHED CCCCCCC[C@H](C)NCc1cccnc1O 714953699 KGFOENZCRPMGPV-ZDUSSCGKSA-N 250.386 3.626 30 20 CHED C=CCCCCN[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 724103313 PJAWCHZCYQOULE-LSDHHAIUSA-N 296.455 3.626 30 20 CHED C/C(=C/C(=O)N(CCC#N)c1ccc(C)cc1)C1CC1 726941927 LSQJIGFGSBXTST-OWBHPGMISA-N 268.360 3.598 30 20 CHED CC(=NNC1CCCC1)c1ccc(F)c(Cl)c1 727652287 XIPYGLUIGZRLDB-UHFFFAOYSA-N 254.736 3.735 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccccc1OC)C(C)C 728466029 UBGKMRQTKWSOCO-CQSZACIVSA-N 275.392 3.612 30 20 CHED Cc1cccc2c1CCC2=NOCc1ccccc1 729142642 BJEVNXFGYDPFID-UHFFFAOYSA-N 251.329 3.862 30 20 CHED C=C1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 731032221 FICBNJFLEBVQPC-AWEZNQCLSA-N 283.375 3.758 30 20 CHED Cc1ccc(C)c(C(=O)OCc2ccc(OCC#N)cc2)c1 733389923 BZRCAXVSOXXFJO-UHFFFAOYSA-N 295.338 3.563 30 20 CHED C[C@H]1CCCC[C@H]1N1CCC(=NNc2ccccn2)CC1 733906208 AHOFAYDTTFWGCH-GOEBONIOSA-N 286.423 3.524 30 20 CHED C=C(Cl)CN1CCS[C@@H](c2ccccc2)C1 735561754 DAGHRVKYPABKBK-CYBMUJFWSA-N 253.798 3.529 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(COC)cc1 741762539 KZUZSKVVFJMEMV-UHFFFAOYSA-N 293.370 3.627 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1ccc2c(c1)COC2 742437033 QGDPXRFNNBAZQB-DAXSKMNVSA-N 268.287 3.752 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1nc2ccccc2o1)C(C)(C)C 744041189 SJDJRNXVGLWPNV-MMRAYRKESA-N 282.343 3.996 30 20 CHED COc1cc2ccccc2cc1C(=O)OCC1(CC#N)CC1 744278032 IKDFJGVAHJQHOE-UHFFFAOYSA-N 295.338 3.699 30 20 CHED CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)C2(C#N)CCC2)cc1 745063139 OSDCHSGQZDEOLU-CYBMUJFWSA-N 299.370 3.618 30 20 CHED CC#CCOC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 745351656 SUKJRVLRMLZBFS-CHWSQXEVSA-N 283.154 3.663 30 20 CHED CC#CCOC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 745351657 SUKJRVLRMLZBFS-OLZOCXBDSA-N 283.154 3.663 30 20 CHED C=C(C)COC(=O)c1cc(C2CC2)nc2ccc(F)cc12 745593619 LDWGEGUIQDRYBV-UHFFFAOYSA-N 285.318 3.984 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccco1 747638896 WFUWXOLBAFDKRQ-UHFFFAOYSA-N 254.211 3.533 30 20 CHED Cc1nsc(N(C)C(=O)C[C@H](C)CC(C)(C)C)c1C#N 748236608 WQEZGHDCFGDLAJ-JTQLQIEISA-N 293.436 3.748 30 20 CHED C=CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 748525077 VADYJUDCQCNGFI-UHFFFAOYSA-N 288.435 3.846 30 20 CHED COc1ccc(C)cc1/C=C1/Cc2ccc(F)cc2C1=O 749006016 PHSFUDNMOMGLKV-ZROIWOOFSA-N 282.314 3.965 30 20 CHED CCC(CC)CN(CCC#N)C[C@@H]1CC1(Cl)Cl 749115858 LGTJJQVOLNQZKZ-LBPRGKRZSA-N 277.239 3.832 30 20 CHED C[C@H](Cc1ccncc1)/N=C/c1c(O)ccc2ccccc12 749844886 NGKICINZKSLTEV-CNRHGSOZSA-N 290.366 3.991 30 20 CHED C[C@@H](Cc1ccccc1Cl)Nc1ccc(C#N)nc1 750016443 YANSCRDQFBBVMM-NSHDSACASA-N 271.751 3.650 30 20 CHED C[C@@H](CC#N)OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 751842615 IOBVSZHZZOVPCZ-JTQLQIEISA-N 298.317 3.710 30 20 CHED CC1(C)CCC(CC(=O)OCC2(CC#N)CC2)CC1 752510139 ZGWYDDWSWFHNCJ-UHFFFAOYSA-N 263.381 3.830 30 20 CHED N#Cc1cc(F)c(C(=O)OCC2CCCCC2)c(F)c1 756241736 XGHMDLISBZYPBJ-UHFFFAOYSA-N 279.286 3.574 30 20 CHED COc1ccsc1/C=C1\Oc2cc(F)cc(F)c2C1=O 758030165 OTQJSUFXYIOQBC-WDZFZDKYSA-N 294.278 3.651 30 20 CHED CC1(C)CCC/C(=C\c2nc(Cl)cs2)C1=O 759082615 FSWAYGIRFRSJLR-SOFGYWHQSA-N 255.770 3.959 30 20 CHED COCCCC(C)=NNc1ncc(Cl)cc1Cl 759185685 RILDRLCCNMOXFU-UHFFFAOYSA-N 276.167 3.603 30 20 CHED C[C@@H]1CC[C@H](CC(=O)OCc2ccc(F)c(C#N)c2)C1 759426957 VFDOZLLBXAEGFO-NEPJUHHUSA-N 275.323 3.567 30 20 CHED CC(=NNc1ncc(F)cn1)c1ccc(-c2ccccc2)o1 760262705 NCVMDTGKIOZFRG-UHFFFAOYSA-N 296.305 3.712 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1ccc(F)c(C#N)c1 761489355 JLFZOEDCRPIVNI-NSHDSACASA-N 277.339 3.813 30 20 CHED Cc1ccc(C=NOCc2ccn(C3CCCC3)n2)cc1 763174697 AKQYCODUYOUQNF-UHFFFAOYSA-N 283.375 3.857 30 20 CHED Cc1cc(OC(=O)[C@H]2CCC[C@@H](C)C2)ccc1C#N 765092100 QGGLCJHTSANKBK-YPMHNXCESA-N 257.333 3.598 30 20 CHED Cc1cc(OC(=O)C[C@@H]2CCc3ccccc32)ccc1C#N 765118276 QFROXVKIGWQTQW-HNNXBMFYSA-N 291.350 3.892 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2cccc(C)c2C)c1 766500348 AOFDTOCIOCXLMR-BQYQJAHWSA-N 284.311 3.579 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(C(F)(F)F)cc1 767652509 MQSQSZYKLSXSTB-UHFFFAOYSA-N 284.277 3.798 30 20 CHED CCCCCCCCNC(=O)c1ccc(O)c(F)c1 768324365 YZXWGPAUDKBPSK-UHFFFAOYSA-N 267.344 3.622 30 20 CHED O=C(/C=C\c1ccccc1Br)c1cscn1 769266547 XUKVLGSLYHIJJB-WAYWQWQTSA-N 294.173 3.802 30 20 CHED CCCCCCCC(=O)Nc1nncn1-c1ccccc1 770444021 NLXKXRVXLROVHF-UHFFFAOYSA-N 286.379 3.566 30 20 CHED C#CCCCCC(=O)NC1(C(F)(F)F)CCCCC1 773375152 KUGZSZRMBLYJRZ-UHFFFAOYSA-N 275.314 3.561 30 20 CHED C[C@H](OC(=O)C#Cc1ccccc1)c1ccc(F)cc1F 773455339 YPEXGQHOHSSLHL-LBPRGKRZSA-N 286.277 3.621 30 20 CHED Cc1nc(C2CCCCC2)sc1C(=O)O[C@@H](C)C#N 775120082 SDMPBJQBCVJXBC-VIFPVBQESA-N 278.377 3.568 30 20 CHED C#CCCCN[C@H](COc1ccccc1F)C(C)(C)C 776024553 OMKIVDUMWBYQAL-MRXNPFEDSA-N 277.383 3.622 30 20 CHED N#C[C@H](OC(=O)c1cc2c(s1)CCC2)C1CCCCC1 776355099 RJJSRFQXWSWSOJ-ZDUSSCGKSA-N 289.400 3.866 30 20 CHED Cc1ccc2oc(C(=O)O[C@@H](C#N)C3CCCCC3)cc2n1 776385683 GTHCLVDQYUCHJX-INIZCTEOSA-N 298.342 3.766 30 20 CHED Cc1ccc(F)cc1C=NNc1cc(F)cc(F)c1 777883296 XZVULORXHMPAFZ-UHFFFAOYSA-N 264.250 3.858 30 20 CHED CC(C)=CCC[C@H](C)CC=NNc1cc(Cl)nc(N)n1 778548965 OQBHEIXADRNZTC-NSHDSACASA-N 295.818 3.883 30 20 CHED CC[C@@H](OC(=O)c1c[nH]c(C#N)c1)c1ccc(Cl)cc1 779198484 ZTUCLHLNPFCDIW-CQSZACIVSA-N 288.734 3.848 30 20 CHED CC(=NN=c1cc[nH]cc1)c1cc(Cl)sc1Cl 779808717 GQMPSFMNLFKYQR-UHFFFAOYSA-N 286.187 3.708 30 20 CHED CC/C(C)=C(\C)C(=O)OCc1ccc(C#N)cc1C 779991132 KLUVOEGJKVZDEB-ACCUITESSA-N 257.333 3.656 30 20 CHED Cc1ccccc1CC(=O)OCc1ccc(Cl)cc1C#N 780038227 CZYCPNWTHJBFEL-UHFFFAOYSA-N 299.757 3.806 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1nc(C2CC2)cs1 781189971 OSXXHQFSRZGXGT-SNVBAGLBSA-N 298.367 3.810 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1nccnc1C 783520373 CZTNNASASMKNLE-UHFFFAOYSA-N 295.173 3.928 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)CSC(C)(C)C 783586359 ADLQMIFOZMGDQH-NSHDSACASA-N 278.421 3.899 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(F)(F)F)nn2)[C@@H](C)C1 783863886 SDCJLABDSJYSRL-IUCAKERBSA-N 286.301 3.719 30 20 CHED CSC1(C(=O)OCc2ccc(Cl)cc2C#N)CCC1 784675094 NSFQTYVIQOCDKN-UHFFFAOYSA-N 295.791 3.541 30 20 CHED COc1ccc(C=NNC2CCCCC2)c(Cl)c1OC 786042900 CNYLOOVHUYXUCK-UHFFFAOYSA-N 296.798 3.613 30 20 CHED C/C(=C\C(=O)N[C@H]1CCc2cc(C#N)ccc21)C(C)(C)C 786386158 LWPHXDBDPIESSP-YHVDPYDOSA-N 282.387 3.654 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccccc1Oc1cccnc1 787088523 PFNYVGBNPPHGSQ-CYBMUJFWSA-N 296.326 3.723 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccnc(Oc2ccccc2)c1 787092016 KTISXUUSEPPIIY-AWEZNQCLSA-N 296.326 3.723 30 20 CHED CC(=Nn1cnnc1)c1cc(F)ccc1SC(C)(C)C 790281338 GHAURIMMYAKQTL-UHFFFAOYSA-N 292.383 3.580 30 20 CHED Cc1csc(C(=O)Oc2ccc(C#N)cc2)c1Cl 791766251 YGGFVNHTKDVQJK-UHFFFAOYSA-N 277.732 3.801 30 20 CHED C[C@@H]1CC(=NNc2cccc(Cl)n2)C[C@@H](C)C1 793164815 ZQSWLPPKNSQDJO-UWVGGRQHSA-N 251.761 3.959 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(OC)cc1O 793389481 ZKVHLQGHFMIKOI-AWEZNQCLSA-N 263.381 3.625 30 20 CHED CC(CC1CCOCC1)=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 794541098 HWAQELHKVUWITB-JFIYKMOQSA-N 292.467 3.983 30 20 CHED CCCOc1ccc(C(C)=NNCCC(F)(F)F)cc1 794544712 DTNLIVBPVOPNBL-UHFFFAOYSA-N 288.313 3.741 30 20 CHED O=C(/C=C/c1ccccc1C1CC1)c1ccnc(F)c1 794719982 OSBWUHXWADBVBD-BQYQJAHWSA-N 267.303 3.994 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc3occc3c2)c1 794858344 GINCRIUYUBJLOR-UHFFFAOYSA-N 281.271 3.787 30 20 CHED Cc1cnn(C)c1C=NN[C@@H](C)c1ccc(C(C)C)cc1 794898086 XRLHUFUGRCXUKS-AWEZNQCLSA-N 284.407 3.537 30 20 CHED CC(=NNc1ncccc1F)c1ccc(F)cc1Cl 794981159 VXNLJYOTRRJAIX-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=CCOC(=O)c1c(-c2cccc(Cl)c2)noc1C 796385413 FBWPJULRGMXWCR-UHFFFAOYSA-N 277.707 3.646 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@H]1CCC(F)(F)C1 796537047 XGENGOWMEZIIML-LBPRGKRZSA-N 296.313 3.765 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNc1cncc(Cl)n1 797401881 OQKZQBCTXAULFD-ZJUUUORDSA-N 266.776 3.744 30 20 CHED C=CCCOC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798784745 FSVDYKGCEQQSMK-JTQLQIEISA-N 272.266 3.928 30 20 CHED COc1ccccc1CON=C(C)c1cccs1 799117588 LEVUFCAMKCXBJS-UHFFFAOYSA-N 261.346 3.698 30 20 CHED CCCC[C@@H](C)C(=O)Oc1c(Cl)cc(C#N)cc1OC 799861695 UOFODKQYMNFARJ-SNVBAGLBSA-N 295.766 3.952 30 20 CHED COCC[C@H]1CCCC1=NNc1ccccc1Cl 799863826 CNHDPBAMSRYXGX-LLVKDONJSA-N 266.772 3.945 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1cc(C)n(C)n1 799881385 LNDLQJBHJTVXJT-UHFFFAOYSA-N 297.189 3.871 30 20 CHED N#Cc1ccc(C/N=C\c2ccccc2O)cc1Cl 800790810 VWKDKVAXDFDSNN-ZDLGFXPLSA-N 270.719 3.536 30 20 CHED C[C@H](C#N)OCCSCc1csc(-c2ccoc2)n1 802752264 OYAHPMRVFSLZKU-SNVBAGLBSA-N 294.401 3.565 30 20 CHED Cc1cc(Cl)ccc1CSCCO[C@H](C)C#N 802753038 VZLWCFHCLKZWRZ-LLVKDONJSA-N 269.797 3.810 30 20 CHED C[C@H]1Cc2ccccc2CN1c1nc(Cl)c(C#N)s1 804618717 WBFUATDERPIBPL-VIFPVBQESA-N 289.791 3.619 30 20 CHED C=CCCCCCCNC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 805254056 YWBGRSFCSZROKP-HZPDHXFCSA-N 296.455 3.626 30 20 CHED N#CCCCCCC(=O)OCc1cccc(OC(F)F)c1 805697261 SKCSOZNSAQKBLG-UHFFFAOYSA-N 297.301 3.805 30 20 CHED C#CCN(Cc1ccccc1)C(=O)NC[C@H](C)C(C)(C)C 806815383 CHHRPGPMAWQGCK-HNNXBMFYSA-N 286.419 3.514 30 20 CHED Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2C)c(C)o1 807988855 ADCLWCAGISVLDN-UHFFFAOYSA-N 273.292 3.559 30 20 CHED C=CCN(C(=O)CCCOC(C)(C)C)c1ccccc1 808082969 NOVAYLPHGCXMIQ-UHFFFAOYSA-N 275.392 3.801 30 20 CHED Cc1csc(NC(=O)/C=C\c2cccc(F)c2)c1C#N 809003553 ZAHHIGIJPDZPEK-WAYWQWQTSA-N 286.331 3.719 30 20 CHED O=C1/C(=C/c2cnccn2)CSc2c(Cl)cccc21 809154310 RHXHMNRTKANXHP-RMKNXTFCSA-N 288.759 3.502 30 20 CHED C#Cc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1 809625726 PTDAFMVBGPFOQS-UHFFFAOYSA-N 285.337 3.971 30 20 CHED CCCCCCC[C@H](C)NCC1CCN(C(=O)OC)CC1 809710619 VRCJKMWSKGKLHG-HNNXBMFYSA-N 298.471 3.803 30 20 CHED C=CCCCCOC(=O)c1cc2ccccc2c(OC)n1 811010738 GQXHNHHMTDYOLN-UHFFFAOYSA-N 285.343 3.757 30 20 CHED FC(F)(F)CCNN=Cc1cscc1C(F)(F)F 811648446 RTMFRZWYAIIANE-UHFFFAOYSA-N 290.232 3.643 30 20 CHED CC(=NOC/C=C\Cl)c1ccc([N+](=O)[O-])cc1Cl 811668850 KKYRGXOGWVUZRJ-WLWPVCBVSA-N 289.118 3.741 30 20 CHED Cl/C=C\CON=CCSCc1ccccc1 811671468 FYZCJENPOFKBEW-XXHVMYQTSA-N 255.770 3.675 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1O 811699142 QTWCXJHNFOAUGX-FNORWQNLSA-N 290.265 3.575 30 20 CHED C#C[C@@H](NC(=O)NCCC1(C)CC1)c1ccc(Cl)cc1 811914017 YWUJQNMRQLZERS-CQSZACIVSA-N 290.794 3.504 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(N(C)C)cc1 812242126 RDLMIIFJOWLCPW-POHAHGRESA-N 299.345 3.796 30 20 CHED C=CCCCCCCNC(=O)N1CC(C)(C)[C@@H]1C1CC1 812373402 CSLHKHVDKCXDTA-HNNXBMFYSA-N 278.440 3.953 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ccccc2C(=O)O)o1 812446213 SFLYTVXMWAJFIH-GXFFZTMASA-N 284.315 3.547 30 20 CHED CC[C@@H](C)NN=C/C(C)=C\c1ccccc1COC 814227307 GBEFKKSGHAQILL-HRXAXHHGSA-N 260.381 3.610 30 20 CHED Cc1ccc(Cn2nc(C)c(C=NOCC3CC3)c2C)cc1 814245151 TVIRDQOLFFLKHR-UHFFFAOYSA-N 297.402 3.617 30 20 CHED Cc1cc(Cl)cc(C=NNc2nc(C)cc(C)n2)c1 814681304 FXJYJABAPDKUCH-UHFFFAOYSA-N 274.755 3.501 30 20 CHED C=CCn1c(SCSC)nc2ccccc21 814718977 SQYWXWVUZXVGBY-UHFFFAOYSA-N 250.392 3.635 30 20 CHED CCC(=NNc1nc(-c2ccccc2)no1)c1ccco1 814829054 HTKUGGDDXHJCMF-UHFFFAOYSA-N 282.303 3.556 30 20 CHED c1ccc(-c2noc(NN=C3CC[C@H]3C3CCC3)n2)cc1 814829202 LOSDUDBSFXIPNC-ZDUSSCGKSA-N 282.347 3.715 30 20 CHED CCc1cccc(C)c1NN=C1CC[C@@H](CC(=O)O)[C@@H]1C 814923296 ONSDONBSIDEGBW-JSGCOSHPSA-N 288.391 3.846 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(-c2nccs2)c1 815065823 PCLCUSBBZYLYEE-UHFFFAOYSA-N 294.326 3.960 30 20 CHED C=C(Cl)CN1C[C@@H]2CCCCN2c2ccccc21 815228806 XAOWYEICZWVRFR-ZDUSSCGKSA-N 262.784 3.618 30 20 CHED C#CCCOc1ccc(C(=O)N(C(C)C)C2CCCC2)cc1 823097368 VEOFNEGQTVNQKS-UHFFFAOYSA-N 299.414 3.882 30 20 CHED Cc1cc(CN(C)C[C@H](C)C#N)ccc1N1CCCCC1 827641958 WYIHZPWQTYGAJO-OAHLLOKOSA-N 285.435 3.577 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccccc1Cl)C(C)C 827885370 YZTMEDWJCMLFPZ-INIZCTEOSA-N 277.795 3.813 30 20 CHED O=C(O)C1(C/N=C/c2c(O)ccc3ccccc23)CCCC1 833174520 QYOKNCUJYRUKET-YBFXNURJSA-N 297.354 3.609 30 20 CHED C=CCC[C@@H](OC(=O)c1cccc(NC(=O)O)c1)C1CC1 833373294 JYAAHYHIAURFMK-CQSZACIVSA-N 289.331 3.678 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1 834872144 WVMUSEJMUFFHSJ-YWEYNIOJSA-N 280.323 3.526 30 20 CHED CCCNN=C(C)c1ccc(Oc2ccccc2)cn1 834940927 KSRYHKAXHZUEBO-UHFFFAOYSA-N 269.348 3.598 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1coc2ccccc12 834999298 CNIZKDHAFVKLLE-VIFPVBQESA-N 270.254 3.697 30 20 CHED CCn1cc(C(C)=NNc2ccc(C)cc2Cl)cn1 835011841 NOEKFQLRPROFDM-UHFFFAOYSA-N 276.771 3.701 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CCC2(CCCC2)CC1 835021697 QPSQQJSSGOKDFF-AWEZNQCLSA-N 264.413 3.634 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H]1CCCC[C@@H]1SC(C)C 835284072 AIBURKAAJQKAMO-QPSCCSFWSA-N 298.448 3.574 30 20 CHED CCCCCCCCNC(=O)N1CC[C@@H](O)CC(C)(C)C1 838526851 CZPSFGJOVCPEAD-OAHLLOKOSA-N 298.471 3.539 30 20 CHED COc1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)ccc1Cl 839050776 CJPNCUGVGAOIOO-JQWIXIFHSA-N 293.750 3.588 30 20 CHED C=COc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1 839162328 ULLOPVVVYQDWKP-UHFFFAOYSA-N 287.363 3.660 30 20 CHED N#CC1(CCOC(=O)[C@@H]2CC23CCC3)CCCCC1 840291172 MTVQPDXSJFEVLK-ZDUSSCGKSA-N 261.365 3.584 30 20 CHED CCO[C@@H]1CCC[C@H]1/N=C/c1c(O)ccc2ccccc12 840709177 HNFVIGCJMUXRIB-MFYXZRBDSA-N 283.371 3.922 30 20 CHED C#C[C@@H](OC(=O)CC[C@H](C)SC)c1ccc(F)cc1 842408340 UARWHKNMOCGILL-SMDDNHRTSA-N 280.364 3.575 30 20 CHED C=CCN(C(=O)[C@@H]1CCCc2ccc(OC)cc21)C(C)C 846811948 QJZJCERSYOKOTO-MRXNPFEDSA-N 287.403 3.538 30 20 CHED C=CCCSCCN[C@@H](C)c1cccnc1Cl 850503882 OSLGISWXFGZDDK-NSHDSACASA-N 270.829 3.695 30 20 CHED CC1=C(C)C[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)CC1 851205020 GBWVZJYGJLQVMU-ZIAGYGMSSA-N 263.381 3.994 30 20 CHED C=C[C@H](OC(=O)CSC(F)(F)F)c1ccccc1 851453672 TUAOIWAYYBFGKS-JTQLQIEISA-N 276.279 3.710 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1F)[C@H]1C[C@H]1C 853396902 SIUFIAJBSDAMFH-SCZZXKLOSA-N 265.288 3.568 30 20 CHED C#CCCCOc1cccnc1N1Cc2cccc(F)c2C1 853684386 SJVIJDFCQGQCDN-UHFFFAOYSA-N 296.345 3.533 30 20 CHED C=CCCC(C)(C)NC(=O)c1snc(Cl)c1Cl 856371930 BTAHOXOKVOFHHD-UHFFFAOYSA-N 293.219 3.925 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)C(C)(C)C 857651365 ZICSSAMXRHSIQF-UHFFFAOYSA-N 284.403 3.832 30 20 CHED CC(C)CCN(CCC#N)c1nc(Cl)cs1 858452928 PVNBRTHRLFETBG-UHFFFAOYSA-N 257.790 3.563 30 20 CHED CC[C@H](C)c1ccc(C(=O)/C=C/c2cn(C)cn2)cc1 863197282 NJZFHXUPTBFMLR-LXKVQUBZSA-N 268.360 3.830 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(c2cccc(F)c2)CC1 872895543 KHVXWIHHMCWAAF-ZDUSSCGKSA-N 290.382 3.679 30 20 CHED CC(C)Oc1ccc(NC[C@@H](C)CCC#N)c(F)c1 876835600 YMUWGPNURUGRSM-LBPRGKRZSA-N 264.344 3.965 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2ncc[nH]2)cc1 878564758 XBQUUGMZABDPOI-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C[C@H](c1cccc(F)c1)c1noc(C2(C#N)CCCC2)n1 897079110 VKSCZBPCKTXUII-LLVKDONJSA-N 285.322 3.696 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1ccc(C)s1 899342721 DLQCTANSSHDJOW-SREVYHEPSA-N 261.346 3.811 30 20 CHED CCc1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)o1 899361741 CETUPMRKLZOHKU-VURMDHGXSA-N 270.332 3.660 30 20 CHED CC(=NNc1ccc(Cl)cc1F)[C@@H]1CCCOC1 901317957 PUYFJUXLNDPKAO-SNVBAGLBSA-N 270.735 3.694 30 20 CHED CC[C@H](NCc1ccc(OC)cc1)c1cccc(C#N)c1 902720243 CXEVVWLOUAYVJB-SFHVURJKSA-N 280.371 3.808 30 20 CHED CC[C@H](N[C@H]1CCCC12CCOCC2)c1cccc(C#N)c1 902981441 OJEKSPVJGVYIBU-ROUUACIJSA-N 298.430 3.948 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(N2CCCCC2)cc1 903102141 SSOHQZVBMSQSJR-HNNXBMFYSA-N 283.419 3.631 30 20 CHED C=CCN(CCC1(C(=O)O)CCC1)CC1CCCCC1 903695732 HMUGMEOVQOYXJP-UHFFFAOYSA-N 279.424 3.700 30 20 CHED C=C[C@H](CC)CC(=O)OCc1ccc(NC(=O)OC)cc1 904230014 WKDABIPBWMYNGP-GFCCVEGCSA-N 291.347 3.510 30 20 CHED Cc1cc(C)c(/C=C/C=C2\C(=O)c3ncnn3[C@@H]2C)cc1C 905083157 BWQIEHRBIRYEMZ-FVURKLFWSA-N 293.370 3.600 30 20 CHED N#Cc1ccc(-c2cncc([C@H]3CCCN3)c2)cc1Cl 906165546 RQVFYZIZMHNQJR-MRXNPFEDSA-N 283.762 3.698 30 20 CHED CCCC(CCC)=NNc1nc2ccccc2n1C 915967765 OHLKJHOBNRUREL-UHFFFAOYSA-N 258.369 3.941 30 20 CHED O=C(/C=C\c1cccs1)c1cc(F)ccc1F 916133350 IGGHARAVQFTBSM-XQRVVYSFSA-N 250.269 3.922 30 20 CHED Cc1ccc(C=NNC(=S)Nc2cccc(Cl)c2)o1 916285507 OWSBRLJSBAVKFC-UHFFFAOYSA-N 293.779 3.562 30 20 CHED COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)cc(OC)c1 921263934 LILGAVTUSLVFTM-VIZOYTHASA-N 294.350 3.835 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc2ccncc12 926089995 ZJUKEHOERWZQJY-LBPRGKRZSA-N 253.349 3.975 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1[C@H](C)c1ccccc1 928388885 YLLWJNJRUNLZQB-GDBMZVCRSA-N 257.377 3.747 30 20 CHED CSCC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 932587007 FQVCWCJZPNIWKD-ZDUSSCGKSA-N 274.433 3.694 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC(Cc2ccccc2C)C1 934421927 LRWTYODNQCIHEP-HNNXBMFYSA-N 271.404 3.598 30 20 CHED C#Cc1ccc(NC(=O)Nc2cnn([C@H](C)CC)c2C)cc1 934927573 DDOGPDHORPZOEU-GFCCVEGCSA-N 296.374 3.788 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cnc(CC(C)C)s1 934970533 YHRDCLPFAXFLIX-UHFFFAOYSA-N 299.399 3.774 30 20 CHED CN(C)c1ncccc1/C=C/C(=O)c1ccc(Cl)s1 1117350873 NBFXSRASRHBNHG-AATRIKPKSA-N 292.791 3.759 30 20 CHED C=C(C)CCC(=O)NCCCCOc1ccc(C)cc1 1120585158 ZZDIVABEOSXGKY-UHFFFAOYSA-N 275.392 3.627 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CC[C@H]1CC1(Cl)Cl 1121246680 WLPCWFWWAVTFDJ-NWDGAFQWSA-N 290.234 3.918 30 20 CHED C#CCCCCC(=O)[C@@H]1CCC[C@H]1C(=O)CCCCC#C 1123212674 NWJHOIIDOOFLAU-IAGOWNOFSA-N 286.415 3.928 30 20 CHED C[C@@H](CC#N)NC(=O)c1cc2c(ccc3ccccc32)o1 1136736687 LOQJASOAQUNVPY-NSHDSACASA-N 278.311 3.618 30 20 CHED N#Cc1cnc(NCC23CCC(CC2)C3)c(Cl)c1 1162960609 VCKUROGHNIAIHO-UHFFFAOYSA-N 261.756 3.599 30 20 CHED CC[C@H](C)[C@H](Sc1ccc(Cl)cc1C#N)C(=O)OC 1165764988 XPQRDDLEIQBINJ-ZANVPECISA-N 297.807 3.891 30 20 CHED N#Cc1cccc(Sc2ccc(Cl)c(F)c2)n1 1186951635 APSUHEUDGBQQOP-UHFFFAOYSA-N 264.712 3.897 30 20 CHED CCN(C(=O)/C=C(\C)c1ccccc1Cl)[C@@H](C)C#N 1261755432 FDCFTBVJFPWJKX-ZKQHCESOSA-N 276.767 3.504 30 20 CHED C[C@@H]1C[C@H](CC(=O)N2CCC[C@@H](C#N)C2)CC(C)(C)C1 1303427866 DEPLNAWBKDZWSH-QLFBSQMISA-N 276.424 3.601 30 20 CHED CNc1ccc(C)cc1CNc1cccc(OCC#N)c1 1308678680 ZIUMOQHHANNWGT-UHFFFAOYSA-N 281.359 3.551 30 20 CHED C=C[C@@H](COC)N[C@@H](CC)c1ccc(Cl)cc1 1320591326 FNNOYXVRLHHBQL-KBPBESRZSA-N 253.773 3.582 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1F 1322983396 BHGFTWFMHOQWLU-ZZXKWVIFSA-N 290.265 3.575 30 20 CHED CC[C@H]1CCC[C@@H](CNCc2cccc(OCC#N)c2)C1 1323785789 NTNHBVYHTSPARX-JKSUJKDBSA-N 286.419 3.895 30 20 CHED C=C(CC)CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 1324859477 MIWOWEQBGKZMOW-AWEZNQCLSA-N 269.392 3.709 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1OCCc2ccccc21 1336759720 ONNUFHWIGJLBSI-AEFFLSMTSA-N 299.414 3.648 30 20 CHED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1cscn1 1341802879 QBUCRSAGDBFYAR-YVMONPNESA-N 284.384 3.639 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC#N)c(Cl)c1Cl 1343397066 LWPRPUYPKHBIKW-QMMMGPOBSA-N 272.131 3.761 30 20 CHED CC[C@@H](C)Cc1noc(C2(c3cccc(C#N)c3)CC2)n1 1348573956 MQDASYIJKMBDMP-GFCCVEGCSA-N 281.359 3.610 30 20 CHED C=C(Cl)CN1CCN([C@@H](CC)c2ccc(F)cc2)CC1 1473771697 LUXUUZTWTVSALK-INIZCTEOSA-N 296.817 3.647 30 20 CHED C/C(=C\c1ccccc1)CN(C)C(=O)c1ccsc1C#N 1515964051 LCNGETICDJCDIT-JLHYYAGUSA-N 296.395 3.795 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2c(F)cc(C#N)cc2F)C1 1527731682 DXMIAHZFLORJSJ-LLVKDONJSA-N 293.313 3.962 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)c1ccc(C#N)c(Cl)c1 1528168853 FQNAFATZZYNGFT-JTQLQIEISA-N 278.783 3.766 30 20 CHED CCCC[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(C)C 1543408411 YTMNKPVDDFLGFL-CYBMUJFWSA-N 298.390 3.835 30 20 CHED Cc1nc(C#N)cc(N[C@H](c2ccc(F)c(C)c2)C2CC2)n1 1559143820 NRADBLQUPFAACK-KRWDZBQOSA-N 296.349 3.667 30 20 CHED COc1ccc2c(c1)[C@H](Nc1cc(C)c(C#N)cn1)CCC2 1559155667 RIXUQGXCXPSKFD-QGZVFWFLSA-N 293.370 3.760 30 20 CHED C[C@H]1CC(C)(C)CN1c1nc(C(C)(C)C)ccc1C#N 1559213738 FGWJCPQTSQKMTD-LBPRGKRZSA-N 271.408 3.876 30 20 CHED Cc1ccnc(NCCC2CCC(F)(F)CC2)c1C#N 1559299762 QOUPPJCUPSIYNO-UHFFFAOYSA-N 279.334 3.889 30 20 CHED N#CCC1(CS[C@H]2CCOc3ccccc32)CC1 1559385879 WVDYTPZNQLXSQY-AWEZNQCLSA-N 259.374 3.937 30 20 CHED CC(C)Cc1ccc(CNCC(C)(C)CC#N)cc1 1560500569 VIUZKFHBDLOUNA-UHFFFAOYSA-N 258.409 3.915 30 20 CHED CCOc1ccc(C#N)cc1NCCc1ccc(C)cc1 1560744780 SDWYSEAQYMGLNH-UHFFFAOYSA-N 280.371 3.920 30 20 CHED CC(C)(CC#N)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 1560878616 AHYCLEBOBYBRGB-UONOGXRCSA-N 278.440 3.642 30 20 CHED C=C[C@@H](N[C@@H](CC)c1cccc2ccccc12)C(=O)O 1573347170 JJLMJEIMYLHLSH-JKSUJKDBSA-N 269.344 3.520 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCc1ccc2occc2c1 1586922813 RDLLBIWRPZPLHP-UHFFFAOYSA-N 290.322 3.543 30 20 CHED C=CC1(CC(=O)N[C@H](CC(=O)O)C(C)(C)C)CCCCC1 1602828472 IFHUGCSLDOHRFR-CYBMUJFWSA-N 295.423 3.519 30 20 CHED Cc1c(Cl)cnc(NCC2Cc3ccccc3C2)c1C#N 1611983400 KYEJGCKCQJSJHO-UHFFFAOYSA-N 297.789 3.742 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCc2cccc(C)c21 1623179783 VWFGFRFFVDSDIU-UHFFFAOYSA-N 291.354 3.770 30 20 CHED C[C@H]1C[C@H]1CNc1c(C#N)cnc2c(Cl)cccc12 1639279679 UGDBJHBKSIVPCX-UWVGGRQHSA-N 271.751 3.828 30 20 CHED N#Cc1ccc(NC2(Cc3cccc(Cl)c3)CC2)nc1 1639916370 PCDWDFUOLRVMFD-UHFFFAOYSA-N 283.762 3.794 30 20 CHED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@H](C)[C@H]1C 1653942489 NRUOUHMXVHBIEC-QLFBSQMISA-N 270.420 3.964 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNc1ncccc1C#N 1655570504 IOOOAMSDLYAVKF-HIFRSBDPSA-N 257.381 3.972 30 20 CHED N#Cc1ccc(CN2CCc3c(Cl)cccc32)c(F)c1 1659396877 SHQZMCWENLGVJN-UHFFFAOYSA-N 286.737 3.913 30 20 CHED N/C(=N\OCc1ccc(Cl)cc1Cl)c1ccccc1 7042375 HDFGQFHFPGAJST-UHFFFAOYSA-N 295.169 3.831 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 36240605 RJAOFLUJRNIWHQ-GFCCVEGCSA-N 266.300 3.577 30 20 CHED CCOc1cccc(CNc2ccc(C#N)cc2F)c1 37680033 UTAAJICLSOZSLO-UHFFFAOYSA-N 270.307 3.708 30 20 CHED Cc1ccc(C#N)cc1NCC(=O)Nc1cccc(Cl)c1 50212776 UZKQGYSJPRIFTA-UHFFFAOYSA-N 299.761 3.571 30 20 CHED CN(CCOc1cccc(C#N)c1)[C@H]1CCc2ccccc21 51650469 CQXJKORIGJNNEB-IBGZPJMESA-N 292.382 3.556 30 20 CHED CC[C@@H](Nc1nnc(C)c(C)c1C#N)C1CCCCC1 52343233 HBPUHRDKRIICFE-OAHLLOKOSA-N 272.396 3.736 30 20 CHED CC(C)Oc1ccc([C@H](C)Nc2ccc(C#N)cn2)cc1 52356129 YOCOBBFUDWVKOO-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED CCN(C(=O)Nc1cccnc1)[C@H](C)c1ccc(C#N)cc1 53734009 MSOZJMZKAADTGE-CYBMUJFWSA-N 294.358 3.568 30 20 CHED CCCCCCCCOCC(=O)Nc1ccccc1C#N 59087827 MZMFKZKEGFWZJM-UHFFFAOYSA-N 288.391 3.874 30 20 CHED C=CCN(CC=C)Cc1ccc(F)cc1Br 59385246 VHZPIQOYZYQKAO-UHFFFAOYSA-N 284.172 3.762 30 20 CHED N#CCC[C@H](C#N)CSc1ccc(Cl)cc1 66237236 KPNRUPKVTRRAPC-SNVBAGLBSA-N 250.754 3.876 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H](C)CC)c1 67319724 ZLCKJCYILFFKCH-GFCCVEGCSA-N 262.353 3.562 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 79540714 XWCHADRWULIQTJ-DLBZAZTESA-N 299.418 3.668 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)c1cccc(C#N)n1 81619470 JQLQLZCKHSQJKJ-LLVKDONJSA-N 271.751 3.804 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H](c2ccccc2)C1 87608682 ILMQJIYCKYALMN-MRXNPFEDSA-N 256.393 3.806 30 20 CHED N#Cc1ccc(-c2csc([C@H]3CCCOC3)n2)cc1 87815594 SJAIGLKBMVHBIV-ZDUSSCGKSA-N 270.357 3.576 30 20 CHED COc1ccc(CNC(C)(C)CC(C)(C)C)cc1C#N 87823622 PTDKFVRVCGFWPS-UHFFFAOYSA-N 274.408 3.871 30 20 CHED CCOc1ccccc1C/N=C(/N)Nc1cc(C)cc(C)c1 104161624 GIANBQHAWQBQPD-UHFFFAOYSA-N 297.402 3.629 30 20 CHED C=CCCCN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 117876348 DLMMQABTSRHWDP-HNNXBMFYSA-N 296.455 3.532 30 20 CHED C=CCOc1cccc(N[C@@H](C(=O)OC)c2ccccc2)c1 117938289 NUSKRSBIUYXHRX-QGZVFWFLSA-N 297.354 3.578 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccccn1 119613545 PYGNYDMZDRLMBH-UHFFFAOYSA-N 262.397 3.904 30 20 CHED C#CCCCCC(=O)N[C@H](CC)c1cc(F)ccc1F 119891417 WUIMIPGHHGLIIG-OAHLLOKOSA-N 279.330 3.726 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OC)c2ncccc12 126277690 IITFKWJRHFNMBF-UHFFFAOYSA-N 296.370 3.950 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCc1ccc(-c2ccccc2)o1 127367505 NQCYUWXTGAIPMQ-SFHVURJKSA-N 296.370 3.688 30 20 CHED 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CC(C)(C#N)c1ccccc1CN1Cc2ccc(O)cc2C1 599536932 XJQSONWNEFFQRU-UHFFFAOYSA-N 292.382 3.709 30 20 CHED CC(C)O[C@H](CNCc1cccc(C#N)c1)c1ccccc1 602508409 MLLCGIOYSSUTLD-LJQANCHMSA-N 294.398 3.814 30 20 CHED C[C@@H]1CCN(CC2(CC#N)CC2)[C@H](c2ccco2)C1 602783630 PRLJXJJNIJNCMG-KGLIPLIRSA-N 258.365 3.746 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H](c2cccs2)C2CC2)c1 603645329 MANXIWWWTDRUPT-OAHLLOKOSA-N 297.383 3.893 30 20 CHED C[C@@H](CC#N)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 604573844 ZLFGQPGAVSAYBL-LBPRGKRZSA-N 298.317 3.650 30 20 CHED C=CCCN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606896999 BNWHKMOOUUQCBO-DTORHVGOSA-N 275.236 3.625 30 20 CHED Cn1ccc2c(NCCOc3ccc(C#N)cc3)cccc21 608886480 PAXYMKIHNDZIRZ-UHFFFAOYSA-N 291.354 3.541 30 20 CHED CN(C(=O)CC1CCCCC1)c1ccc(C#N)cc1F 609216712 UTMGXSDBINGYJV-UHFFFAOYSA-N 274.339 3.631 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@H](C)CCC1CCCCC1 609687814 UBNWFMLOAKHNAT-UONOGXRCSA-N 279.428 3.536 30 20 CHED N#Cc1c(F)cccc1NCC1Cc2ccccc2C1 609765664 IPFNXIVRVMSBLQ-UHFFFAOYSA-N 266.319 3.524 30 20 CHED CC(C)Oc1ccccc1[C@H](C)Nc1cccc(C#N)n1 609891495 UQGVBILOZVORJJ-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1c1cccc(F)c1C#N 611541248 JQCCWBBKDYQXAB-ZJUUUORDSA-N 286.272 3.865 30 20 CHED N#C[C@]1(F)CCN(Cc2cccc(Oc3ccccc3)c2)C1 615638707 PMBGDLYZJXGFNA-GOSISDBHSA-N 296.345 3.916 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccsc1[N+](=O)[O-] 618693349 FPPDFRNAGWGGDB-LBPRGKRZSA-N 285.328 3.627 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC/C=C/c1ccccc1 618743189 ZNXPIXMXBSDRDA-ZLHKHBAESA-N 274.367 3.849 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCC12CCCC2 618807424 UNOSRACHKWURAJ-IAGOWNOFSA-N 266.388 3.858 30 20 CHED CC(C)C(NC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 619440474 VFUUXUZDCKBQIQ-UHFFFAOYSA-N 286.419 3.898 30 20 CHED C=CCCc1ccccc1NC(=O)c1c(C2CC2)cnn1C 622863810 KYHZTAZVFHPTDV-UHFFFAOYSA-N 295.386 3.668 30 20 CHED Cc1ncc([C@@H](C)NCC#Cc2cccc(Cl)c2)s1 639994771 FAYWLIUTUXUFAO-LLVKDONJSA-N 290.819 3.807 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc2oc(C)nc12 640245946 MFFMMMVTPRFAGJ-GFCCVEGCSA-N 285.347 3.709 30 20 CHED C=CCC1(C(=O)NC2CCC(OC(C)C)CC2)CCCC1 649218245 BUGMNRZNSGUCKP-UHFFFAOYSA-N 293.451 3.975 30 20 CHED C=CCC1(c2nc([C@@H](CC)OCC)no2)CCCC1 665044030 PHCMHBXBEMYMOI-GFCCVEGCSA-N 264.369 3.945 30 20 CHED C=CC(C)(C)c1nc(C(C)(C)c2ccc(C)cn2)no1 665087397 WMCQRWPZAXKPEP-UHFFFAOYSA-N 271.364 3.563 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)[nH]c1C 665667010 PXXYRPAZIYZYAA-INIZCTEOSA-N 282.387 3.549 30 20 CHED C=CCCNC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 665946404 XRAWQDHKFUKICX-QGZVFWFLSA-N 297.402 3.981 30 20 CHED CCC#C[C@H](C)Sc1nnc(-c2ccccc2C)o1 677130911 JDEJKSSACBMBRM-LBPRGKRZSA-N 272.373 3.939 30 20 CHED C=C[C@@H](CC(=O)N[C@H]1CCC(F)(F)C1)c1ccccc1 677573324 MEJLYKAXDIDCLI-JSGCOSHPSA-N 279.330 3.650 30 20 CHED COc1ccc(C)cc1CNc1cc(C(C)=O)ccc1C#N 680371488 GWJKCNYRTBVAQJ-UHFFFAOYSA-N 294.354 3.690 30 20 CHED CC(C)CCN(C)C(=S)Nc1ccc(C#N)c(Cl)c1 726473006 XZMXBTQAUWGOQV-UHFFFAOYSA-N 295.839 3.886 30 20 CHED C#CCNC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 726768586 ZVBRXIJMFSXIBL-UHFFFAOYSA-N 295.407 3.612 30 20 CHED Cc1ncccc1/C=C\C(=O)c1cn(C)c2ccccc12 728787960 YHTVKRCZJKHOJY-KTKRTIGZSA-N 276.339 3.778 30 20 CHED C#Cc1ccc(C(=O)N(C)CCCCCCCCC)nc1 728818494 RADYARYRGLZFGH-UHFFFAOYSA-N 286.419 3.886 30 20 CHED C[C@H]1CCCC(=NNCCCOc2ccccc2)C1 729148018 QLTAEEXGNYWVOG-AWEZNQCLSA-N 260.381 3.611 30 20 CHED COc1cccc(/C=C2/Cc3c(C)cccc3C2=O)c1 729148928 BRDYJYUDFXEJCC-ZROIWOOFSA-N 264.324 3.826 30 20 CHED CC(=NNC1CCCC1)c1cccc(OC(F)(F)F)c1 730946691 IXHFNIBFAKHBAR-UHFFFAOYSA-N 286.297 3.841 30 20 CHED Fc1cc(F)c(NN=Cc2ccsc2)cc1F 734302880 TUXUSYVIJFMZDK-UHFFFAOYSA-N 256.252 3.611 30 20 CHED CC(=NNc1cccnn1)c1ccc(-c2ccccc2)cc1 735973410 IOXAMPIITWZTBE-UHFFFAOYSA-N 288.354 3.980 30 20 CHED C=C(Cl)CNC(=O)c1ccc(N(CC)CCCC)cc1 736238417 JZXPSHVHDRAWEA-UHFFFAOYSA-N 294.826 3.795 30 20 CHED C=CCN(C(=O)CCc1cc(Cl)cs1)C(C)C 736465829 SLUKYZTURVURQF-UHFFFAOYSA-N 271.813 3.757 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)NCc1cc(C#N)ccc1F 742733590 FLVZZSMTPYGETO-GXTWGEPZSA-N 288.366 3.530 30 20 CHED Cc1ncsc1C=NNc1ccccc1Cl 743420937 TWGAYXUZEWRSOA-UHFFFAOYSA-N 251.742 3.551 30 20 CHED Cn1cnc2cc(N=Cc3cc(Cl)ccc3O)ccc21 743501724 QKBVSNZBKQTDOM-UHFFFAOYSA-N 285.734 3.683 30 20 CHED C=CCOCCCC(=O)O[C@H](CC)c1ccc(C)cc1 744076685 MILJJFPVOXPABT-MRXNPFEDSA-N 276.376 3.972 30 20 CHED N#CCC1(COC(=O)CSc2ccc(Cl)cc2)CC1 744277003 UYEKHQLLPUZNEH-UHFFFAOYSA-N 295.791 3.669 30 20 CHED C[C@H](C#N)OC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 745349561 WOCDQHJUGGLTCK-HFKOZYHYSA-N 284.142 3.552 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1cc(C)oc1C 745624931 PROVIWIUMLEIBD-UHFFFAOYSA-N 286.335 3.716 30 20 CHED C=CCN(C(=O)N[C@@H](C)C1CCCCC1)C(C)C 745837687 IUHZLHMANCVCCC-ZDUSSCGKSA-N 252.402 3.561 30 20 CHED CCCCCOc1cc(C=NNCCC)ccc1OC 747047922 MJQQLGOWJCPLMR-UHFFFAOYSA-N 278.396 3.598 30 20 CHED Cc1cc(F)cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 748678089 ZLNSITUWQNJCNZ-GFCCVEGCSA-N 283.302 3.924 30 20 CHED CCCCCCCCNC(=O)NCc1cccc(C#N)c1 754841468 JTLUWGNQUSTFBM-UHFFFAOYSA-N 287.407 3.718 30 20 CHED Cc1ccc(-c2nc(C=NNCc3ccccc3)co2)cc1 755565012 QLQVRCIVPBYXTN-UHFFFAOYSA-N 291.354 3.774 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)cc1 755601671 QDSPJQIDNGFZQC-WMZJFQQLSA-N 299.345 3.884 30 20 CHED COc1ccc(NN=CCCc2ccccc2)cc1 755803206 ZSSHMASUVSDUFR-UHFFFAOYSA-N 254.333 3.726 30 20 CHED C=C[C@H](C)NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 757004919 ULEXCRGJMOFDNY-JUDLJHIGSA-N 283.293 3.799 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(O)cc1O 757473445 XKDQNCHLYORIDD-JXMROGBWSA-N 298.338 3.781 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccc(C)cc2O)ccc1O 757475055 GGRPCHZTHSQLPY-YVMONPNESA-N 298.338 3.701 30 20 CHED CC(C)CC(=NNC1CCOCC1)c1ccc(Cl)cc1 757585467 LAGCEKRWWIISRY-UHFFFAOYSA-N 294.826 3.859 30 20 CHED C#CCCCCNC(=O)N1CCc2cc(C(C)(C)C)ccc21 758887196 ZBPSWFOYKPGDCO-UHFFFAOYSA-N 298.430 3.860 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(F)cc1)C2=O 759665939 SGTSHWOBJFWKMV-FMIVXFBMSA-N 268.287 3.657 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2F)cnc1Cl 760217321 VBRJLIAOBBNBOY-UHFFFAOYSA-N 281.693 3.768 30 20 CHED COCC(=NNc1c(Cl)cccc1Cl)C1CC1 763187507 BILFBGCTRGUURG-UHFFFAOYSA-N 273.163 3.818 30 20 CHED CC#CC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 764069864 OASGWZHBGSLOJS-LJQANCHMSA-N 291.394 3.890 30 20 CHED CCCCS[C@H](C)C(=O)Oc1ccc(C#N)c(C)c1 765092397 SWZIJPGNPKJWNL-GFCCVEGCSA-N 277.389 3.694 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCc1c(C)cccc1C 765997561 FREWSPFCBXNIPK-UHFFFAOYSA-N 293.370 3.805 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(C)cc1Br 767045628 MNMBUBSVHNPQHP-UHFFFAOYSA-N 295.176 3.712 30 20 CHED CC#CCCCC(=O)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 767048739 XRJZQTBLGBNKNF-NSHDSACASA-N 288.318 3.615 30 20 CHED CSCC[C@H](C)Nc1nc(C(C)(C)C)ccc1C#N 767194292 IXSZSCACJNRALZ-NSHDSACASA-N 277.437 3.804 30 20 CHED CC(C)(C#N)CCOC(=O)c1cccc2ccsc12 767632378 WABNZMUGPRYBMT-UHFFFAOYSA-N 273.357 3.998 30 20 CHED CC#CCCCC(=O)OCC(=O)c1ccc(CCC)cc1 767666043 LKJSMZBQIFNPBK-UHFFFAOYSA-N 286.371 3.559 30 20 CHED Fc1cccc2c1SCCC2=NNCc1ccccc1 767825062 RTZZLHNJEBWWOI-UHFFFAOYSA-N 286.375 3.815 30 20 CHED CC/C=C/CCn1ccc(-c2ccc(C#N)cc2)n1 768921974 IRLSVFGTGGMNCQ-ONEGZZNKSA-N 251.333 3.778 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(F)cn1 770597938 SVWGPUKSHNTDQX-UHFFFAOYSA-N 299.136 3.759 30 20 CHED C[C@H](C#N)CNN=Cc1sc2ccccc2c1Cl 771104362 SQHOXHMDFJHGHV-SECBINFHSA-N 277.780 3.638 30 20 CHED N#Cc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(F)c1 772800977 DJGCOJKUTAMEGF-AWNIVKPZSA-N 298.704 3.843 30 20 CHED C=CCN(C(=O)/C(C)=C/c1cccc(Cl)c1)C1CC1 772894882 DAKIFKKFWGUKMZ-ZRDIBKRKSA-N 275.779 3.920 30 20 CHED COc1ccc(CN[C@H](C)CCC=C(C)C)cc1C#N 773084242 RTJJKGMAQSETQW-CQSZACIVSA-N 272.392 3.791 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1nccnc1Cl 773202616 APULKNQVTVZIKS-UHFFFAOYSA-N 295.173 3.814 30 20 CHED CCc1nc(C)c(C(C)=NN[C@H]2C[C@H]3CC[C@H]2C3)s1 774608160 PGWORIOQISLVMG-AVGNSLFASA-N 277.437 3.516 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cnc(Cl)c(C)c1 776010414 RUJVNJVRLILWAI-LLVKDONJSA-N 281.787 3.910 30 20 CHED CC[C@H](C#N)OC(=O)c1ccccc1NCc1ccccc1 776097932 VUIVRYLIVZBSMK-OAHLLOKOSA-N 294.354 3.758 30 20 CHED Cc1ccc(-c2cccc(C=Nn3ccccc3=O)c2)cc1 776791177 GPTZHUQJYKDVKZ-UHFFFAOYSA-N 288.350 3.706 30 20 CHED CC(=NNc1cc(F)cc(F)c1)C1CCSCC1 777432353 AKQZLFNIUIFIGZ-UHFFFAOYSA-N 270.348 3.896 30 20 CHED Fc1ccc(C=NOc2ccccc2C(F)(F)F)cn1 777444441 VXOBWFOVGZNJFO-UHFFFAOYSA-N 284.212 3.652 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccccc1OC(F)(F)F 777450985 AEKUAGSCWXULBF-RKDXNWHRSA-N 258.243 3.639 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1C1CCOCC1 777493641 HIXPITNGOVKOBZ-MRXNPFEDSA-N 281.440 3.765 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc([N+](=O)[O-])cc1 777910485 BUPIWMDPODTSKK-UITAMQMPSA-N 285.274 3.938 30 20 CHED CC(C[C@H](C)CC(C)C)=NNC(=S)Nc1ccccn1 779783978 OJEPLTDBPUIHNS-GFCCVEGCSA-N 292.452 3.816 30 20 CHED COCCC1(C=NNc2nccnc2Cl)CCCCC1 780227455 OQMSJVVEQCXRAQ-UHFFFAOYSA-N 296.802 3.515 30 20 CHED Cc1cc(COC(=O)CCc2cccs2)ccc1C#N 782074057 LNBUBCHJNRPQBB-UHFFFAOYSA-N 285.368 3.604 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1cc(F)ccc1Cl 782261106 MQDKUTLAJHFZIW-JTQLQIEISA-N 286.730 3.504 30 20 CHED CCOC(=O)[C@@H]1CCC(=NN[C@H]2CCCC2(C)C)[C@H](C)C1 782302891 VCBKNLWWLWCWBS-NFAWXSAZSA-N 294.439 3.510 30 20 CHED C[C@@H](OC(=O)/C=C\c1ccc(O)cc1)c1ccc(C#N)cc1 782439271 HWXIODPEZDGOOK-TUOYRWMMSA-N 293.322 3.581 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2ccc(Cl)nn2)C1 783777991 OAUBYCKYYLKWPL-WDEREUQCSA-N 266.776 3.744 30 20 CHED CC1(C)CCC(=NNc2cnc3ccccc3n2)C1 783839394 JXZGOQYVPLHVBD-UHFFFAOYSA-N 254.337 3.608 30 20 CHED CC(=NNc1cc(C(F)(F)F)ccc1F)[C@H]1CCCO1 783864758 ZXKPCQUXBXCARH-GFCCVEGCSA-N 290.260 3.811 30 20 CHED C[C@@H]1CCC[C@H](CCOC(=O)CC(C)(C)C#N)C1 785108574 RVPIIMGZWXRKGC-CHWSQXEVSA-N 251.370 3.686 30 20 CHED C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2[C@@H](C)C1 785449304 IGYHHDGRDWMZMG-GUYCJALGSA-N 257.377 3.735 30 20 CHED CCc1ccccc1CC(=O)O[C@@H](C)c1cccc(C#N)c1 785889736 NGJRIFCCCDXWDX-AWEZNQCLSA-N 293.366 3.968 30 20 CHED O=[N+]([O-])c1ccccc1/C=C/C=NNC1CCCCC1 786042431 WKPBAOWTFIZRCM-ZUQJHFSSSA-N 273.336 3.516 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cccc2ccccc12 788039205 OWPIVXIUSGIOGR-AWEZNQCLSA-N 269.344 3.617 30 20 CHED C/C(C=NNc1ncccc1C)=C\c1ccccc1 790185965 LRPCUHPFPZBVDZ-OWISRODJSA-N 251.333 3.891 30 20 CHED Cn1ccnc1NN=C1CCC(C2CCCCC2)CC1 790299727 IHMFXHFUSHEGHI-UHFFFAOYSA-N 274.412 3.959 30 20 CHED Cc1ncc(C=NN[C@H](C)C(C)(C)C)n1-c1ccccc1 793118050 ZVRRUVXCEXPIJW-CYBMUJFWSA-N 284.407 3.539 30 20 CHED CC[C@H](C)CON=C(CSC)c1ccccc1 793164122 SKAKBKJNUOPULQ-LBPRGKRZSA-N 251.395 3.816 30 20 CHED O=C(/C=C/c1cscc1Br)c1cccnc1 794690621 JZLBTKBFAAUFDG-ONEGZZNKSA-N 294.173 3.802 30 20 CHED FC(F)Oc1ccc(NN=C[C@H]2CCCSC2)cc1 794905981 MLHOHXUCFVSIPN-SNVBAGLBSA-N 286.347 3.829 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1cc(F)cc(F)c1 794941728 WMABHODRNAWFTB-IWQZZHSRSA-N 296.219 3.845 30 20 CHED COCCCON=Cc1ccc(-c2ccc(F)cc2C)o1 795050423 CAQJWUVNOQVXED-UHFFFAOYSA-N 291.322 3.781 30 20 CHED C#Cc1cccc(NC(=S)NC(C2CCC2)C2CCC2)c1 795154124 BWOFMEVGMGVHDT-UHFFFAOYSA-N 298.455 3.923 30 20 CHED CCCCCCCCCN1C[C@@H](N2CCOCC2)C[C@@H]1C 796376736 JWQBJPQMILWKFC-ROUUACIJSA-N 296.499 3.532 30 20 CHED Cc1cc(CNCC2(CC#N)CC2)cc(C)c1OC(F)F 797469022 SHDUNYXTXFNPEU-UHFFFAOYSA-N 294.345 3.688 30 20 CHED C#CCCCNc1cccc(C[S@@](=O)c2ccccc2)c1 799591486 OQFTXJZMXQFHDL-OAQYLSRUSA-N 297.423 3.820 30 20 CHED CCCCCCCCCN(C)C(=O)N(C)C1CCOCC1 800902257 YDDTVCSZYFPUIP-UHFFFAOYSA-N 298.471 3.900 30 20 CHED C[C@@H](C#N)OCCSC1=Nc2ccccc2CS1 801656125 VPPFYRSJONXMPI-JTQLQIEISA-N 278.402 3.583 30 20 CHED Cc1cc(N(C)C)ccc1Nc1nc(Cl)c(C#N)s1 804354716 OMXASZBLUTVIPK-UHFFFAOYSA-N 292.795 3.786 30 20 CHED C#C[C@@H](NC(=O)C1(CC)CCC1)c1ccc(Cl)cc1F 804416276 MWDAPVWYQORCRS-CQSZACIVSA-N 293.769 3.850 30 20 CHED C=CCCCCCCNC(=O)c1ccc(C(C)=O)s1 805217661 HOFNRZBLQNNNNV-UHFFFAOYSA-N 279.405 3.817 30 20 CHED FC(F)CON=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2 807985427 HEGCGWUQJRHENP-OKILXGFUSA-N 279.330 3.839 30 20 CHED C#Cc1ccccc1CC(=O)N(C)[C@@H](C)c1ccc(C)cc1 810074222 LPMRKKUKHLFGHW-INIZCTEOSA-N 291.394 3.738 30 20 CHED C#CC[C@@H](OC(=O)c1ccc2c(c1)CCCCC2=O)C1CC1 810610450 WUDSVOUZYPPWSM-GOSISDBHSA-N 296.366 3.554 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)OC1(CC#N)CCC1 810859992 YXAQAFIHABWMEY-UHFFFAOYSA-N 292.404 3.742 30 20 CHED C=CCCCCOC(=O)c1cc2nc(C)ccc2o1 811011166 NYBMUWGOCYCANB-UHFFFAOYSA-N 259.305 3.649 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccccc1CCC=C 811495357 AZLAXAXOUPKRQW-UHFFFAOYSA-N 289.378 3.968 30 20 CHED Brc1ccc2c(c1)CCC(=NOC1CCC1)C2 812238116 NERHTQJJEDADHB-UHFFFAOYSA-N 294.192 3.863 30 20 CHED COCc1ccccc1/C=C(\C)C=NOCCSC 814230000 ISKMJZHESTXMSM-GLWOHCGISA-N 279.405 3.602 30 20 CHED C=CCC(C)(C)CNc1nccc2c1C(=O)OC2(C)C 814369382 IEACNVJYCWKMKY-UHFFFAOYSA-N 274.364 3.501 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1ccc([N+](=O)[O-])cc1 814682846 RFJPMAXPJIDZKV-UHFFFAOYSA-N 287.294 3.764 30 20 CHED C[C@@H]1C(=NNc2cccc3cnccc23)CC[C@H]1CC(=O)O 814835852 DGWGZPPVDGIQCN-RYUDHWBXSA-N 297.358 3.524 30 20 CHED Fc1cc(F)cc(C2CC(=NN[C@H]3C[C@H]4CC[C@H]3C4)C2)c1 814893289 KUNCFUWZBQKHRQ-ZFAUQTQTSA-N 290.357 3.976 30 20 CHED COc1cc(F)ccc1NN=Cc1cccc2cc[nH]c12 814915696 DYJNEJCXVMSQIQ-UHFFFAOYSA-N 283.306 3.762 30 20 CHED C[C@H](NN=C1CC[C@H]2CNc3cccc1c32)C(C)(C)C 814938692 RWPCPTYVGMYKPZ-RYUDHWBXSA-N 271.408 3.718 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@@H](C)c2ccccc21 815048338 VGOMGAUWHFJULO-LLVKDONJSA-N 265.303 3.738 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(C)s1 819148790 DLFKTBRBJMYMPP-LLVKDONJSA-N 251.395 3.836 30 20 CHED O=C(/C=C\c1ccc2oncc2c1)c1ccc(F)cc1 821027021 BHKDNXCZWQVJSL-XFSBKJJWSA-N 267.259 3.863 30 20 CHED CC/C(C)=C\C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 823222869 RTBGWGASLKGRPL-SZNGSJQDSA-N 296.292 3.743 30 20 CHED CC(C)N(Cc1cccc(C(=O)O)c1C#N)c1ccccc1 833499867 ZYWNBHRYWIFUGG-UHFFFAOYSA-N 294.354 3.671 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(F)cc2N(C)C)c1 834903827 TZWIHRQMWYMGKI-AWEZNQCLSA-N 296.389 3.724 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 834952752 XCSNMDCZGGUICX-HZSPNIEDSA-N 296.317 3.643 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)[C@@H]1CCCC[C@H]1C 834973261 UYDFRVVFRQBOCZ-BPLDGKMQSA-N 266.429 3.736 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NN[C@@H](C)C(F)(F)F)C1 834998264 SDSCFRNRCQZOQD-NWDGAFQWSA-N 299.340 3.944 30 20 CHED Cc1ccc(NN=C2CCCOCC2)c(Cl)c1 835012549 UZTYVYCVZMYWEE-UHFFFAOYSA-N 252.745 3.617 30 20 CHED CC#CCCCCOC(=O)C[C@@]1(C)CC1(Cl)Cl 835311623 UQSYIMKSUJYQON-LBPRGKRZSA-N 277.191 3.697 30 20 CHED C=CC(C)(C)COC(=O)C1(c2cccnc2)CCCC1 835721422 JFYGZGVNKQGVGV-UHFFFAOYSA-N 273.376 3.649 30 20 CHED C=CC(C)(C)COC(=O)c1ncsc1C(C)C 835722184 QCHZWGWWPVYTDS-UHFFFAOYSA-N 253.367 3.636 30 20 CHED C#CC[C@@H](NC(=O)N[C@H](C1CCC1)C1CC1)c1ccccc1 836376096 IILDTXTZLUSVDS-QZTJIDSGSA-N 296.414 3.629 30 20 CHED CCOC(=O)Nc1ccc(NC2CC3(CCC3)C2)cc1C#N 839000423 YFGWWTDTJVYKDF-UHFFFAOYSA-N 299.374 3.871 30 20 CHED Cc1ccc2c(CC(=O)O[C@H]3CCC[C@H](C#N)C3)c[nH]c2c1 839049320 IIBOUWSDAXTQHJ-ZFWWWQNUSA-N 296.370 3.644 30 20 CHED CC[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 839056493 MGTHWUHJHXOFTP-KBMXLJTQSA-N 271.360 3.806 30 20 CHED C=C(Cl)CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 839603113 PFPCXRJEUOKSRT-CQSZACIVSA-N 275.783 3.761 30 20 CHED C=CC(C)(C)CNC(=S)Nc1c(C)cccc1C 840794583 MJXVWXQLHPYHID-UHFFFAOYSA-N 262.422 3.802 30 20 CHED C#CC1CCN(C(=O)c2ccc(OCCC(C)C)cc2)CC1 843709106 SCEOUILQBSEMKB-UHFFFAOYSA-N 299.414 3.597 30 20 CHED C=C(C)CONC(=O)CCc1c(Cl)cccc1Cl 848244685 MZYNOJSPKKUWLO-UHFFFAOYSA-N 288.174 3.550 30 20 CHED CCCCNN=Cc1oc2ccccc2c1Br 848403669 XVHLSXPBDNTSJA-UHFFFAOYSA-N 295.180 3.919 30 20 CHED C=C[C@H](OC(=O)[C@@H](OC)[C@@H](C)CC)c1ccccc1 851451385 GXBJQPSARRMFSY-QEJZJMRPSA-N 262.349 3.518 30 20 CHED C[C@@H]1CCCCN1N=Cc1cccc(F)c1OC(F)F 853383855 GTBSVTORUITNSV-SNVBAGLBSA-N 286.297 3.635 30 20 CHED Cc1cc(CN(C2CC2)[C@@H](C)C#N)c(O)c(C(C)(C)C)c1 853548955 VGXAMFJQGXEURQ-ZDUSSCGKSA-N 286.419 3.875 30 20 CHED C#CCCCCCC(=O)Nc1ccc2occc2c1 863008339 OABHEDSEOVWBNK-UHFFFAOYSA-N 255.317 3.955 30 20 CHED C=C(Cl)C[S@@](=O)Cc1nc2cc(C)ccc2s1 864485947 SGIKHXSUAHEZHH-QGZVFWFLSA-N 285.821 3.606 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC 872040824 CPGTXPBFKPNSCD-UWVGGRQHSA-N 266.366 3.542 30 20 CHED N#CCCCNC(=O)Nc1cc(Cl)cc(Cl)c1F 880893122 ZMNWIXGFIOLPNU-UHFFFAOYSA-N 290.125 3.558 30 20 CHED C[C@H](NN=C1CCC(C)(N2CCCC2)CC1)C(C)(C)C 884472177 RNMATNJKCZVGJF-MBIQTGHCSA-N 279.472 3.795 30 20 CHED C=C1CCC(C(=O)N(c2ccccc2)[C@H]2CCOC2)CC1 890181193 NWUSPXGMTXJQES-KRWDZBQOSA-N 285.387 3.555 30 20 CHED Cc1c(Br)cncc1N[C@H]1CCC[C@H](C#N)C1 897833780 YBSJYZSJIBHBFT-QWRGUYRKSA-N 294.196 3.647 30 20 CHED CS[C@@H]1CCCC(=NNc2oc(C(C)C)nc2C#N)C1 901179348 GRCCMDONFJZOMI-LLVKDONJSA-N 292.408 3.743 30 20 CHED CC(C)n1cncc1/C=C1\CCc2c(F)cccc2C1=O 901543711 KESFTXAWPRXUAK-XYOKQWHBSA-N 284.334 3.816 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@@H]1c1ccc(C)cc1)C(=O)O 901692837 PRXMHLZZVDIPBK-IKGGRYGDSA-N 287.403 3.640 30 20 CHED CC[C@@H](NCCC1CCN(CC)CC1)c1cccc(C#N)c1 902820080 NYRZVWJIXYQGGX-LJQANCHMSA-N 299.462 3.721 30 20 CHED CC(C)c1cccc2c1OCCC[C@H]2NCC1(C#N)CC1 903106192 NHXGCBRBZUSIMS-MRXNPFEDSA-N 284.403 3.917 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1ncc(C(C)(C)C)o1 904188285 YTMJSUXPHGNSPL-NSHDSACASA-N 265.353 3.618 30 20 CHED CC(C)Oc1cncc(-c2csc(CC#N)c2)c1 904831388 MCJAKDSKFXEEQI-UHFFFAOYSA-N 258.346 3.663 30 20 CHED CC(=NN1CCOCC1)c1ccc(Oc2ccccc2)cc1 915934559 FDEINWCFIOJVOI-UHFFFAOYSA-N 296.370 3.535 30 20 CHED Fc1ccc(NN=Cc2ccccc2OC(F)F)cc1 916268184 OUVGHNBUGOYHCT-UHFFFAOYSA-N 280.249 3.873 30 20 CHED C=CCN(Cc1csc(CCCC)n1)C(C)C 917069664 UDVUZOJAUJMFAN-UHFFFAOYSA-N 252.427 3.882 30 20 CHED C=C(C)COC(=O)[C@H](C)Sc1ccccc1Cl 917323477 YTPRZBSFWNAQBX-JTQLQIEISA-N 270.781 3.940 30 20 CHED CCCCCCCCCN(C)C(=S)NC1CC1 918722303 CILQEXLJFISSOS-UHFFFAOYSA-N 256.459 3.706 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(F)cc1Cl 921228073 LBZNZGMQYUDYED-SNVBAGLBSA-N 286.730 3.504 30 20 CHED CC[C@](C)(C#N)c1nc(C2(c3cccc(F)c3)CCC2)no1 924189517 UXBIVQFMJWVRLT-MRXNPFEDSA-N 299.349 3.870 30 20 CHED Cc1ccnn1-c1ccccc1N[C@@H](C)CC(C)(C)C#N 926141682 HVLFVDMRZGOOFO-ZDUSSCGKSA-N 282.391 3.921 30 20 CHED CCCCC[C@H](C(=O)N1CCC[C@@H](C#N)C1)C(C)C 928221651 QYDRPJYADZEVSR-GJZGRUSLSA-N 264.413 3.601 30 20 CHED N#Cc1ccsc1NC(=O)N1CC[C@@H](c2ccccc2)C1 931845954 FHXYQYVHCJMGLG-CQSZACIVSA-N 297.383 3.641 30 20 CHED C=C(C)CONC(=O)Nc1ccccc1COC(C)(C)C 932540016 MNJPNLJIXFMETP-UHFFFAOYSA-N 292.379 3.631 30 20 CHED CCOc1ccc(C=NOCc2ccc(C)cc2)cc1OC 1086830824 GBMFRJRTCQYOHL-UHFFFAOYSA-N 299.370 3.953 30 20 CHED CC(C)CCN(CCC#N)CCc1ccc(F)cc1F 1116530513 OAWHCYNYLXNILA-UHFFFAOYSA-N 280.362 3.769 30 20 CHED CCCN1CCCC[C@@H]1C(=O)OCCCCC(C)(C)C#N 1116790207 FUYDXCLHPWETPI-OAHLLOKOSA-N 294.439 3.514 30 20 CHED CCCCN(C(=O)c1csc(C#N)c1)[C@@H](C)CC 1117820122 YQSIPBWOFCOFTR-NSHDSACASA-N 264.394 3.661 30 20 CHED N#CC1(COc2c(Cl)cccc2Br)CC1 1118927832 UVXAGGJUEBVJAT-UHFFFAOYSA-N 286.556 3.785 30 20 CHED Cc1ncsc1C(=O)N(c1cccc(C#N)c1)C1CCC1 1119426905 WRHMEZOEUWFJOY-UHFFFAOYSA-N 297.383 3.523 30 20 CHED CCCC[C@H](C(=O)[C@H](C#N)c1ncc(Cl)n1C)C(C)C 1123232737 CBEZNAVFWLXURW-RYUDHWBXSA-N 295.814 3.712 30 20 CHED Cc1ccnc(N[C@H]2C[C@@H]2C2CCCCC2)c1C#N 1185555709 WQQLPMPXIRFMHB-HIFRSBDPSA-N 255.365 3.642 30 20 CHED N#Cc1cnc(SCc2c(F)cccc2F)c(F)c1 1186626188 FRYWLEOMSOKPBY-UHFFFAOYSA-N 280.274 3.663 30 20 CHED CC[C@H]1CCC[C@H]1CNCc1cccc(F)c1C#N 1205858972 FZSRHRBKONNKRF-STQMWFEESA-N 260.356 3.613 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(CN2CCCC2)c1 1320743708 QKGIVCDCTPXGDH-SFHVURJKSA-N 286.419 3.823 30 20 CHED C=CCCc1noc([C@@H]2Cc3ccc(C)cc3S2)n1 1324551393 PYAKOMPOYMXOLV-ZDUSSCGKSA-N 272.373 3.886 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC[C@H](SC)C2)CCCCC1 1326481781 KPLREOBVEUKBSM-KGLIPLIRSA-N 281.465 3.913 30 20 CHED CCCCCC1=CCCC1=NNCC1CCOCC1 1328550210 DSYODBUUHCJMSA-UHFFFAOYSA-N 264.413 3.659 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)CC#Cc2ccccc2)c1 1332983757 QVEKYLBEZFWIDB-QGZVFWFLSA-N 291.394 3.922 30 20 CHED C=C(C)CCC(=O)NC[C@H](c1ccsc1)N(CC)CC 1338776471 DDQHPEWRKLBCLM-OAHLLOKOSA-N 294.464 3.604 30 20 CHED Cc1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)cc1C(F)(F)F 1344696469 AOLIJPAYSHDIJF-PWSUYJOCSA-N 297.276 3.863 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C[C@H]1CCCCC1(C)C 1345646142 FZJTVMGQIVICGB-KGLIPLIRSA-N 287.407 3.686 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCCC1(F)F 1348312397 GKFVLIWOSMTEDE-GFCCVEGCSA-N 261.356 3.899 30 20 CHED CC(C)C#CC(=O)Nc1cccc(N2CCCCCC2)c1 1350767399 AGCTWMPCXQJVKR-UHFFFAOYSA-N 284.403 3.665 30 20 CHED CN(C(=O)c1csc(C#N)c1)c1ccc(F)c(Cl)c1 1435721716 XMWNFZJGBTZDBZ-UHFFFAOYSA-N 294.738 3.689 30 20 CHED N#Cc1cc(NC(=O)c2ccccc2Cl)c(F)cc1F 1438614094 QOQODCTYWBJNBR-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1ccc(OC)c(C#N)c1 1438665715 QAVIPEQGPDRVHJ-ZDUSSCGKSA-N 288.391 3.968 30 20 CHED N#Cc1cc(Cl)ccc1CN1C[C@H]2CCC[C@H]1C2 1460910069 NFCDCUCRDBYTIP-NHYWBVRUSA-N 260.768 3.586 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)N(C)CCC#N 1464508984 XUGLAFUEJGHJBV-UHFFFAOYSA-N 278.355 3.648 30 20 CHED CC(C)CC(C)(C)CNc1c(C#N)cccc1C#N 1472718173 QZLOEPQTDONPCY-UHFFFAOYSA-N 255.365 3.914 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1507855591 YXYGVXWZFRZCMO-NEPJUHHUSA-N 296.846 3.636 30 20 CHED C=C(C)CCC(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1520068372 HAUPBXCIUNZFDM-JTQLQIEISA-N 287.750 3.749 30 20 CHED CCCc1ccc(C(=O)Nc2ccccc2C#N)s1 1529992462 RWWNBJXPHOSVTJ-UHFFFAOYSA-N 270.357 3.825 30 20 CHED CC[C@H](Nc1ccc(Cl)c(C#N)n1)[C@@H]1CC1(C)C 1559215484 CFZTULQJTPDNBS-ONGXEEELSA-N 263.772 3.843 30 20 CHED Cc1cccc(CN(C)CC(C)(C)C#N)c1Br 1559859674 IWYQISJEMGMQMG-UHFFFAOYSA-N 295.224 3.739 30 20 CHED Cc1c(F)cccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1584415073 INSANMNNKZMTMJ-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED Cc1ccc(C#N)c(NC[C@@]2(C)CCCc3ccccc32)n1 1642528652 QWAJIXYRNGKRME-LJQANCHMSA-N 291.398 3.968 30 20 CHED Cc1ncsc1CSc1cccc(F)c1C#N 1652860890 FUTXTZHLEONBAI-UHFFFAOYSA-N 264.350 3.755 30 20 CHED N#Cc1cccc([C@@H](O)CN(CC2CC2)C2CCCCC2)c1 1653309259 ZMUBSLIKRDZMNF-IBGZPJMESA-N 298.430 3.636 30 20 CHED CCCN(CCOc1ccccc1C#N)c1ccccc1F 1655067822 MAUAHNZIBQFIOM-UHFFFAOYSA-N 298.361 3.993 30 20 CHED N#Cc1cccc(CN2CC[C@@H]2c2ccc(F)cc2)c1F 1659357377 QZDKFAAMOUYWAC-MRXNPFEDSA-N 284.309 3.783 30 20 CHED C[C@H](CNCc1cccc(F)c1C#N)c1ccccc1 1659361758 QVQPRMNCFRHIIW-CYBMUJFWSA-N 268.335 3.591 30 20 CHED Cc1cc(C)c(/C=C/CN(C)C[C@@H](C)C#N)c(C)c1 1663928895 BPKKYURGHYMCSP-UZYOAWRESA-N 256.393 3.717 30 20 CHED CCC[C@@H](CC)NC(=O)Nc1cc(C#N)c(F)cc1F 1664256046 OHSKPMYLZCXAAH-SNVBAGLBSA-N 281.306 3.537 30 20 CHED N#Cc1ccccc1CSCc1ccc(C(=O)O)cc1 13220461 OJGMUFYLOTVXCF-UHFFFAOYSA-N 283.352 3.690 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1 14202540 WXKOWACKCYZRHR-WEVVVXLNSA-N 294.350 3.916 30 20 CHED C[C@H](Nc1ccc(F)cc1)c1ccc(OCC#N)cc1 37210521 BPWMMQVFQMSIRQ-LBPRGKRZSA-N 270.307 3.901 30 20 CHED C[C@H](Cc1cccs1)N[C@H](C)c1cccc(C#N)c1 37291803 QOGUQBZDHWBUGB-CHWSQXEVSA-N 270.401 3.902 30 20 CHED CCCC[C@H](CC)C(=O)N(CCC#N)CC(C)C 48322294 OMHGIYISZHRBJB-AWEZNQCLSA-N 252.402 3.601 30 20 CHED Cc1cc(C)c(C#N)c(SCCOCCC(C)C)n1 59738978 XEFVWCLLJPMNOS-UHFFFAOYSA-N 278.421 3.725 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](C)OCCCC)c1 66462894 CIHCBDDCTMOIBB-CQSZACIVSA-N 291.391 3.785 30 20 CHED CC[C@@H]1CCC[C@@H](Nc2ccc(OCC#N)cc2)C1 71106542 MMXGFTXQNAKWDF-UKRRQHHQSA-N 258.365 3.970 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc(-c2ccccc2)s1 71641707 YHXFRVSWSTUWFD-CYBMUJFWSA-N 284.384 3.693 30 20 CHED CC1(C)CCCN(c2c(C#N)nnc3ccccc23)CC1 78373612 MUUUEBIOGHSGJZ-UHFFFAOYSA-N 280.375 3.518 30 20 CHED C[C@@H](c1ccccc1F)S(=O)(=O)CCCC(C)(C)C#N 83025847 MUNWPVPAICIVPM-LBPRGKRZSA-N 297.395 3.631 30 20 CHED Cc1ccc(NCc2ccc(F)c(C#N)c2)c(F)c1 83429857 FDENAHBYBDQUJJ-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC(C)Oc1ccc(OC(=O)c2cc(C#N)cs2)cc1 83942512 FWZXVHPFBGMEEH-UHFFFAOYSA-N 287.340 3.626 30 20 CHED Cc1csc(CNc2ccc(Cl)c(C#N)c2)n1 88523033 UCRQHTXILJNZJE-UHFFFAOYSA-N 263.753 3.589 30 20 CHED N#Cc1ccc(NCc2ncc(-c3ccccc3)[nH]2)c(F)c1 91463035 HGGKZHUDLCZEHB-UHFFFAOYSA-N 292.317 3.700 30 20 CHED CC(C)CN(Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 92008922 FNAIWMLWSFYSJY-AWEZNQCLSA-N 272.392 3.598 30 20 CHED N#Cc1ccc(N[C@H]2CCCc3ccc(F)cc32)cn1 92976594 AOTUVOANXUTRRM-INIZCTEOSA-N 267.307 3.582 30 20 CHED CCCCCCCC(=O)N1CCN(c2ccccc2)CC1 109217034 KXOQKVKMUGCGLX-UHFFFAOYSA-N 288.435 3.696 30 20 CHED CCn1cc(/C=C/C(=O)c2cc3cccc(OC)c3o2)cn1 111998534 UDOPAQOXUGIHTH-BQYQJAHWSA-N 296.326 3.554 30 20 CHED C=CCNC(=O)N(C)[C@H](c1ccccc1C)C(C)C 112430176 ZSHMTTKYCNCDIO-HNNXBMFYSA-N 260.381 3.520 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 115972511 QNVSJZMHQZUAME-NEPJUHHUSA-N 298.292 3.579 30 20 CHED C=CC[C@@H](C)NC(=O)NCCCCCOC1CCCCC1 116958760 IEEDYXJLIKCSNT-OAHLLOKOSA-N 296.455 3.770 30 20 CHED O=C(/C=C/c1cnc(C2CCC2)s1)c1ccco1 118962344 AIPZHTLONXWATH-VOTSOKGWSA-N 259.330 3.900 30 20 CHED C#CCN(CCc1csc(C)n1)[C@H]1CCc2ccccc21 119427608 VCKNYDOVNXEPFL-SFHVURJKSA-N 296.439 3.617 30 20 CHED Cc1cc(Cl)ccc1C(=O)N[C@H](C#N)C1CCCCC1 124673422 NHQFJQUPZORFCZ-OAHLLOKOSA-N 290.794 3.851 30 20 CHED C=CC[C@H](C)NCc1ccc(Cl)c2cccnc12 125415694 CIPNMXYIGLKPIQ-NSHDSACASA-N 260.768 3.942 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)C1CCC1 130603074 FGNMAOPRNPHKPG-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C[C@@H](OC(=O)CCc1cn(C)c2ccccc12)C(C)(C)C#N 130894698 OKIYYHZHNMUNTD-CYBMUJFWSA-N 298.386 3.592 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)[C@H](C)CCC)CC1 153009282 GPMCKBFYZTWABR-WBVHZDCISA-N 266.473 3.831 30 20 CHED CCOc1ccc(CN(CCC#N)Cc2ccco2)cc1 153096971 DBWJKNQWGNXXSZ-UHFFFAOYSA-N 284.359 3.594 30 20 CHED Cn1cc(CCC(=O)O[C@H](C#N)C(C)(C)C)c2ccccc21 154416005 NKRZHRZXBIPNST-MRXNPFEDSA-N 298.386 3.592 30 20 CHED Cc1cscc1NC(=O)c1cccc(SCC#N)c1 154447424 YWBDFPLVEDRLKZ-UHFFFAOYSA-N 288.397 3.925 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)NC2(C#N)CCC2)cc1 157312168 TZANGXBIIMXIQY-CQSZACIVSA-N 284.403 3.866 30 20 CHED C=CCN(C)C(=O)Nc1ccc(SC)c(Cl)c1 157542057 VRVNILJRISFTMD-UHFFFAOYSA-N 270.785 3.712 30 20 CHED COCc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1 173017840 LWWCMODGCPMRRF-ZROIWOOFSA-N 298.313 3.631 30 20 CHED C=CCS[C@@H]1CCCN(c2ccccc2Cl)C1=O 173825852 NQMCEBHAAOOEDG-CYBMUJFWSA-N 281.808 3.755 30 20 CHED CC(C)(CCC#N)CNC[C@H]1C[C@@H]1c1ccccc1 174378435 NFAKYMNXSLXGTI-HZPDHXFCSA-N 256.393 3.710 30 20 CHED C[C@H](OC(=O)c1cc(F)cc(F)c1)c1ccc(C#N)cc1 175761407 LRSNPIAMQPCJAQ-JTQLQIEISA-N 287.265 3.754 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(Oc2ccccc2)o1 176094169 JEUGQULSLOAMRL-CYBMUJFWSA-N 298.342 3.694 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 176475655 LKIWVSBLLWQKEU-HUUCEWRRSA-N 272.392 3.562 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1cc(C#N)cs1)C2=O 176839724 INTFBDJNRULSKP-MDWZMJQESA-N 295.363 3.841 30 20 CHED CCCOc1ccccc1NC(=O)c1cc(C#N)cs1 176855756 AKXRPLSVERVJRT-UHFFFAOYSA-N 286.356 3.661 30 20 CHED Cn1cc(/C=C2\CCCC(C)(C)C2=O)c(-c2ccncc2)n1 177022125 UYIRKTQMHLUVRB-SDNWHVSQSA-N 295.386 3.645 30 20 CHED C[C@@H](C(=O)Nc1ccc(F)cc1C#N)c1cccs1 177573544 VAZVFZPHMPBUSO-SECBINFHSA-N 274.320 3.501 30 20 CHED Cc1cccc([C@@H](C)[S@@](=O)Cc2ccc(C#N)cc2)c1 178114252 RDRDCHBGLVEXGL-VLIAUNLRSA-N 283.396 3.877 30 20 CHED C[C@@H](C#N)Oc1ccc(-c2nc3ccc(F)cc3n2C)cc1 178976439 GEUHPBMUEAGZKA-NSHDSACASA-N 295.317 3.670 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cccc(OC3CCCC3)c2)C1 179895538 KJHCXVFBUGDIEL-CXAGYDPISA-N 299.370 3.857 30 20 CHED C=C(C)CN(C)C(=O)CCOc1ccc2ccccc2c1 180471484 LTBDXOMERYNDCS-UHFFFAOYSA-N 283.371 3.643 30 20 CHED CCC(CC)CN(CCC#N)Cc1ncc(C)s1 180529131 VFYAOMFITRFRJK-UHFFFAOYSA-N 265.426 3.603 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](CC)c1nc(C)cs1 181423285 VLYCYBVEOOYFNC-AAEUAGOBSA-N 295.452 3.947 30 20 CHED CCC[C@@H](NCCCSCC#N)c1ccccc1 181786654 DJJGBQILTVNGGI-OAHLLOKOSA-N 262.422 3.764 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(Br)o1 182628554 GZHNMNUOMAIJRA-SECBINFHSA-N 286.169 3.517 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1nc(C)c(SCC#N)s1 183165956 XUOFOMHGEYGBGV-IUCAKERBSA-N 297.449 3.688 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)cc1OCCC 186031529 VFVZYONLQCCDDT-UHFFFAOYSA-N 277.339 3.747 30 20 CHED C=C(C)[C@H](N[C@@H](C)COCC)c1ccc(F)c(F)c1 186454189 DGSLNGIZXRBFGA-NHYWBVRUSA-N 269.335 3.597 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc(OC)ccc1Cl 188380291 CUKCRYUIZPRVHR-HNNXBMFYSA-N 297.782 3.516 30 20 CHED CC(C)C[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 189584079 OSUORAOHWSYEAX-SFHVURJKSA-N 281.403 3.774 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccccc1COCCC 190733168 YXSXOCSAXZOVOR-GOSISDBHSA-N 289.419 3.832 30 20 CHED Cc1ccc2nc(/C=C/c3cc(C#N)n(C)c3)ccc2c1 191237558 CPKYGEFYEGVYCI-GQCTYLIASA-N 273.339 3.924 30 20 CHED CCC(=O)Nc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 193110867 NVHDSVBUNRDYRL-IUODEOHRSA-N 271.364 3.529 30 20 CHED C=CCCCCCN[C@@H](C)c1nc(C(C)(C)C)no1 193553835 WOAAZSDMDDJNSQ-LBPRGKRZSA-N 265.401 3.764 30 20 CHED N#Cc1cccc(NCc2nc(-c3ccccc3)c[nH]2)c1 194409208 VGWAMKXUIXXKHU-UHFFFAOYSA-N 274.327 3.560 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1F 194972728 WPDSFVMUMGPCHC-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 221386181 FWWFHPKYMIAVPV-SJORKVTESA-N 256.393 3.863 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1 229698546 GDDNSSVATFXSJU-CYBMUJFWSA-N 260.381 3.676 30 20 CHED N#Cc1ccc(F)cc1CN1CCC[C@H]2CCCC[C@H]21 236153124 VDNABBHORNTQNM-CXAGYDPISA-N 272.367 3.852 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C\c1ccccc1 255040764 CEPMPRSXJNKLGK-KHPPLWFESA-N 262.312 3.519 30 20 CHED N#Cc1csc(/C=C\C(=O)c2cc(Cl)ccc2O)c1 255361817 HNVXRNGSMGNMLV-RQOWECAXSA-N 289.743 3.875 30 20 CHED CC[C@@H](Nc1ccc(C#N)nc1)c1ccc(OC)cc1 267415827 SNXUQWFDYZBMGX-MRXNPFEDSA-N 267.332 3.525 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(OC)ccc1Cl)OCC 270126776 WSUYSINOSSUMNL-CQSZACIVSA-N 297.782 3.658 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CCO1 270789940 RFHOBJZKZUYRPT-DGCLKSJQSA-N 293.798 3.612 30 20 CHED C=C(Cl)CN[C@@H](C)c1sc(-c2cccnc2)nc1C 271469688 IRCQNACWLFYZPL-JTQLQIEISA-N 293.823 3.917 30 20 CHED CSc1ccsc1C(=O)N[C@@](C)(C#N)C(C)(C)C 272381448 FACDZSNAIKHFGG-ZDUSSCGKSA-N 282.434 3.528 30 20 CHED N#CCCN1CCC(c2ccccc2Br)CC1 275929429 WZVOPQIZJIKPIB-UHFFFAOYSA-N 293.208 3.542 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC(C)(C)[C@H]1C#N 277826134 HXYZAEZBTISWFS-GVDBMIGSSA-N 296.414 3.639 30 20 CHED CC(C)(C#N)CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 278165591 BAAODXSACYRKFP-QGZVFWFLSA-N 296.414 3.995 30 20 CHED C#CCN(C)C(=O)Nc1cccc(CSC(C)C)c1C 278681375 YOGMHPLHYAUCPA-UHFFFAOYSA-N 290.432 3.734 30 20 CHED CC[C@@H]1CN(C(=O)CC(C)(C)C#N)CC[C@@H]1c1ccccc1 278992332 LETRUHAXEKDDNS-WBVHZDCISA-N 298.430 3.969 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(OC)c(C)cc1C)OCC 279984725 ITRIWDCMSKSDCS-OAHLLOKOSA-N 291.391 3.622 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1cn(C)c2ccccc12 280987314 BWYMOLSRNADWEY-UONOGXRCSA-N 284.403 3.753 30 20 CHED Cc1oc(C(C)C)nc1C(=O)O[C@H](C)c1ccc(C#N)cc1 285762619 SSVBBMNSJWMHBN-LLVKDONJSA-N 298.342 3.896 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C2CCC2)cc1 287097830 OHEGGLBVZVLWTH-MRXNPFEDSA-N 256.349 3.832 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2ccccc2C)CC1 294666363 QVDLDMSEJCIOPF-UHFFFAOYSA-N 271.404 3.913 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc([C@H]2CCOC2)cc1 297389330 MMWJBVRGNLHRFQ-GJZGRUSLSA-N 288.391 3.667 30 20 CHED CCOc1cc(C)ccc1NC(=O)[C@@]1(C#N)CC12CCCC2 298245118 CWQIFRIFOVDKMZ-SFHVURJKSA-N 298.386 3.806 30 20 CHED COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@@H](C)C#N)cc1 299291984 UMEUNLDSHJLZFD-SCLBCKFNSA-N 298.361 3.620 30 20 CHED C[C@@H](CNc1cccc(F)c1C#N)N(C)Cc1ccccc1 301272996 RFFIPVWSTLNGCE-AWEZNQCLSA-N 297.377 3.630 30 20 CHED COc1ccc([C@H](C)CCNc2ccc(C#N)cn2)cc1 301433489 RCPWCDQONZOKSF-CYBMUJFWSA-N 281.359 3.568 30 20 CHED N#CCN(C[C@@H]1CCCC(F)(F)C1)C1CCCC1 302543588 YXUCQGGEGGAOHD-GFCCVEGCSA-N 256.340 3.580 30 20 CHED CN(CC[C@H]1CCCO1)c1ccc(C(F)(F)F)c(C#N)c1 302701369 IJAXLJYKSUAKTJ-CYBMUJFWSA-N 298.308 3.582 30 20 CHED CC[C@@H]1CCC[C@@H](/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)C1 328840097 OSYCJIKKIFNHLN-LOWDOPEQSA-N 266.385 3.667 30 20 CHED OC(C[C@@H]1C[C@H]2CC[C@H]1C2)=Nc1ccc(-n2cccn2)nc1 329245151 QJSJOYKUSRIONW-IHRRRGAJSA-N 296.374 3.682 30 20 CHED OC(=Nc1csc(-c2ccncc2)n1)[C@@H]1[C@H]2CCC[C@H]21 329611624 JSYPAOWWMHNKIC-PJXYFTJBSA-N 285.372 3.839 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc3c(c2)CCC=C3)C1 329652066 KZIFUOYDJOSQNP-IFXJQAMLSA-N 294.398 3.848 30 20 CHED Cc1cccc(C)c1N=C(O)NC1(CCO)CCCCC1 331047258 GXVWOTIEKULSOO-UHFFFAOYSA-N 290.407 3.524 30 20 CHED C=C1CCN(C(=O)CSc2nccc3ccccc23)CC1 335733969 UZDSZXJGWZIGFW-UHFFFAOYSA-N 298.411 3.506 30 20 CHED CSc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)o1 336114539 IGSVZQXURICSFL-UHFFFAOYSA-N 292.747 3.779 30 20 CHED N#Cc1csc(CNC[C@@H]2CCCC(F)(F)C2)c1 337280595 HHYAIALKTGTHDL-SNVBAGLBSA-N 270.348 3.535 30 20 CHED Cc1nsc(N2Cc3ccccc3OC(C)(C)C2)c1C#N 341041868 HESZJQIQXOZGQC-UHFFFAOYSA-N 299.399 3.501 30 20 CHED COc1ccccc1OCCSCCC(C)(C)C#N 341924656 LEXBBROFOMQADH-UHFFFAOYSA-N 279.405 3.747 30 20 CHED CCc1nc2cc(NC(=O)c3cccc(C#N)c3)ccc2o1 341925022 SMLFLPFBMWOECC-UHFFFAOYSA-N 291.310 3.514 30 20 CHED C=CCCN(C)C(=O)Nc1ccnn1[C@H](C)CC(C)C 341945312 FFKLRPXIYRTBFP-CYBMUJFWSA-N 278.400 3.530 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 342002400 JYEJAIBJVISNHY-XDQVBPFNSA-N 273.376 3.541 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(F)cc1OC 342621715 NEPMMDTYWCJFLY-UHFFFAOYSA-N 295.354 3.536 30 20 CHED CCC(CC)[C@H](CCNc1snc(C)c1C#N)OC 342781167 MTLRURXBACAWLD-ZDUSSCGKSA-N 281.425 3.576 30 20 CHED N#Cc1cccc(C#N)c1NCC1(C(F)(F)F)CCC1 343975720 VIRFMKZYZKYUJD-UHFFFAOYSA-N 279.265 3.574 30 20 CHED CSCC[C@](C)(C#N)NC(=O)c1ccc(C(C)C)s1 344724267 UPGUDTXWWRGLJN-CQSZACIVSA-N 296.461 3.637 30 20 CHED CCSc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1 349224735 OKZGHLPEAMVIDE-UHFFFAOYSA-N 296.395 3.600 30 20 CHED CCSCC[C@H](C)N(C)CCCC(C)(C)C#N 350115301 MBEUHKWYDNLICZ-ZDUSSCGKSA-N 256.459 3.780 30 20 CHED C=CCN1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 351504726 WXDANMLLNGTXDF-INIZCTEOSA-N 267.376 3.790 30 20 CHED C/C=C\c1ccc(NCc2nc(C#N)cs2)cc1 352852828 KRUPACIEJWZGMY-IHWYPQMZSA-N 255.346 3.660 30 20 CHED N#Cc1ccncc1NCCc1ccccc1C(F)(F)F 354567171 XDBKGGBEEGFPLK-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1sccc1Cl 355541916 CQYOPWPJLSLURD-SECBINFHSA-N 255.770 3.582 30 20 CHED Cc1csc(-c2noc(/C=C\c3ccc(C#N)cc3)n2)n1 356672188 AETMXPPIWVOXRG-SREVYHEPSA-N 294.339 3.544 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCCOc2ccc(F)cc21 367468785 DIGDQYUJTCULGD-HNNXBMFYSA-N 290.382 3.959 30 20 CHED C[C@H](N[C@H]1c2ccc(F)cc2O[C@@H]1C)c1cccc(C#N)c1 367578140 UYCIAKAJWAVUQW-VNBZBWLYSA-N 296.345 3.870 30 20 CHED C[C@@H](NC[C@H]1OCCc2ccccc21)c1cccc(C#N)c1 367748735 JUNUTDZXXCHNOO-AUUYWEPGSA-N 292.382 3.523 30 20 CHED CC(C)(C)CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 369752639 JBPXFUVHVBYBSW-HZPDHXFCSA-N 299.418 3.514 30 20 CHED CCCCCCCC(=O)N1CCCCC[C@H]1c1ncon1 374912660 DYVGDYYGERRLRL-AWEZNQCLSA-N 293.411 3.874 30 20 CHED CC1(C)CCCC[C@H]1NCc1ccc(CC#N)cc1 398992186 LYYMCPDJKBQHGC-MRXNPFEDSA-N 256.393 3.811 30 20 CHED N#CCCC1CCN(Cc2cccc(F)c2Cl)CC1 399499513 XJEYPVLEHCGAMB-UHFFFAOYSA-N 280.774 3.995 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OCC(C)C)cc1 410127042 HYUVCIZLKGNQQE-OAHLLOKOSA-N 275.392 3.806 30 20 CHED CC(C)(C(=O)N[C@H](C#N)c1ccc(Cl)cc1)C1CCC1 410641014 KLZQUGNZAVNPRV-CQSZACIVSA-N 290.794 3.847 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCCCc1ccc(C)cc1 410830381 VARSQZSSRCBNBW-KRWDZBQOSA-N 286.419 3.859 30 20 CHED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)C1CC(C)(C)C1 412813451 OZWBXGUONDSJHN-ZDUSSCGKSA-N 284.403 3.699 30 20 CHED Cc1cccc([C@@H](C)C(=O)N2CCc3cc(C#N)ccc32)c1 416015348 QETOYLNLXVNLAY-CQSZACIVSA-N 290.366 3.560 30 20 CHED C=CCOc1ccc(CN[C@H]2COCc3ccccc32)cc1 418104733 YOMKLMGSRJWZES-IBGZPJMESA-N 295.382 3.613 30 20 CHED CC(C)c1nnc(CSCc2ccccc2C#N)s1 419384159 AZNJNHTYKXGUOW-UHFFFAOYSA-N 289.429 3.967 30 20 CHED C[C@H](C(=O)N1CC[C@H](C2CCCC2)C1)c1cccc(C#N)c1 421644980 GMFQLFYNTRVROF-KSSFIOAISA-N 296.414 3.700 30 20 CHED COc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCS2 424337530 ZJMMTRBBNJULSB-ZOWXZIJZSA-N 288.416 3.514 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCC[C@@H]1C 424800415 ZSLBPVVEVYZEOL-GOEBONIOSA-N 275.392 3.663 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc2[nH]c(C)cc2c1 424844821 HPVUNEHKHHJIHR-UHFFFAOYSA-N 270.376 3.695 30 20 CHED C[C@@H](Cc1cccs1)Nc1ncc2c(c1C#N)CCC2 425202500 CDNHOMAGYPOMQU-NSHDSACASA-N 283.400 3.547 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCCCCC1 425644063 KSKZBNVPBLTFCE-AWEZNQCLSA-N 299.418 3.983 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2cccc(C)c2C1 428953631 PHDTWLVKHMBIGK-OAHLLOKOSA-N 286.419 3.808 30 20 CHED CC[C@@H](NC(=O)c1cccc(SCC#N)c1)C(C)(C)C 430693292 MZXWPJVNIYJNKT-CQSZACIVSA-N 290.432 3.857 30 20 CHED Cc1ccnc(N2CC3(CCC3)[C@@H]2c2ccccc2)c1C#N 432133123 KELJXFVSNSPDMQ-KRWDZBQOSA-N 289.382 3.993 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@H](C(C)(C)C)C1 432562746 NQXYFOQUFXBLCJ-ZDUSSCGKSA-N 266.429 3.666 30 20 CHED C[C@@H](C#N)C(=O)NCc1ccc(Sc2ccccc2)cc1 437471106 HWBZVZPHNSOQGA-ZDUSSCGKSA-N 296.395 3.614 30 20 CHED C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1C 437573445 BISPHGWJLWXNNI-STQMWFEESA-N 297.320 3.667 30 20 CHED COc1ccc(C#N)cc1CN1C[C@H](C)[C@@H]1c1ccccc1 437573907 COCVRWWLLJNAJX-IFXJQAMLSA-N 292.382 3.760 30 20 CHED COc1cc(Oc2ccccc2)ccc1NC(=O)[C@H](C)C#N 438209357 HPCAWIUVRPAOTL-GFCCVEGCSA-N 296.326 3.586 30 20 CHED COc1ccc(CNc2ccc(C#N)cc2)c(Cl)c1 438844995 YVFSRTHHBFCBQZ-UHFFFAOYSA-N 272.735 3.832 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(c3ccc(F)cc3)CCCC2)C1 442719595 QMHKYLXQMIQNCS-RHSMWYFYSA-N 286.394 3.919 30 20 CHED CC(C)[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1 443508570 FUWAJGWNWQVCRY-LBPRGKRZSA-N 283.297 3.597 30 20 CHED CC[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 443510568 MZHFDSTUZGKMKF-NSHDSACASA-N 297.324 3.989 30 20 CHED Cc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1C 444737266 RPOOYHUMRSWMJN-INIZCTEOSA-N 256.393 3.818 30 20 CHED CC(C)c1ccc(-c2noc(-c3cc(C#N)cs3)n2)cn1 445522117 YKUMOZODVFKEQF-UHFFFAOYSA-N 296.355 3.855 30 20 CHED CCC[C@]1(COC)CCCN1CCCCC(C)(C)C#N 447396422 VSPZJVOESVLAEP-QGZVFWFLSA-N 280.456 3.988 30 20 CHED CC[C@@H](NCCOc1ccccc1)c1ccc(C#N)cc1 447513517 WYMYFOCZCCPKOJ-GOSISDBHSA-N 280.371 3.678 30 20 CHED C[C@@H]1C[C@@H]1[C@@H](Nc1nccc(C#N)n1)c1ccc(Cl)cc1 450358468 SBTHFXZVFGXBJX-ONERCXAPSA-N 298.777 3.811 30 20 CHED N#Cc1ccnc(N[C@@H](c2cccc(F)c2)C2CCCC2)n1 450380584 RDYYURJDLRFOLJ-MRXNPFEDSA-N 296.349 3.831 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccc(Cl)c(OC)c1 450424024 JSTWWLSPMCCAQT-GFCCVEGCSA-N 295.810 3.752 30 20 CHED C=C(C)CN1CCCC[C@H]1c1nc2ccccc2[nH]1 451879515 RLHZUTHTQOHLRJ-HNNXBMFYSA-N 255.365 3.666 30 20 CHED C=C(C)CCNC(=O)[C@@H](CC(C)C)c1ccccc1 452716411 HPKFXSLJPLKLFB-INIZCTEOSA-N 259.393 3.899 30 20 CHED C=CCC[C@H](N[C@H](C)c1nccn1CC)c1ccco1 453336721 FLDCRWOVXJTYDD-KGLIPLIRSA-N 273.380 3.854 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(Cl)c1C 454151544 HRENIKOEKJXOQE-UHFFFAOYSA-N 266.772 3.982 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC(C)(C)C)cc1 454852692 IXDYQMFVKYAOIF-UHFFFAOYSA-N 276.380 3.952 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCc3occc32)c1 456004273 OBPZGLSBYUZPLK-HNNXBMFYSA-N 295.342 3.659 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(C)nc1C1CC1 456066103 NOPNCTYZJFANHX-UHFFFAOYSA-N 272.392 3.600 30 20 CHED C=CCCCC(=O)Nc1ccc2c(c1)CC[C@H]2N(C)C 456273649 MDABRWCEHJKIEM-MRXNPFEDSA-N 272.392 3.530 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 458011745 YNVYQLHMVSTYLB-IAGOWNOFSA-N 298.430 3.678 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 466230944 APBBUGKFARLUEX-GXTWGEPZSA-N 296.292 3.952 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCSC(CC)(CC)C1 466377139 RIJQAYUKISXFNH-CYBMUJFWSA-N 284.469 3.658 30 20 CHED CC1(C)C[C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc21 471581779 KTWYCUZGIKKVFL-XEZPLFJOSA-N 254.377 3.691 30 20 CHED C=CCC[C@H](O)CN(CCC(C)C)C1CCCC1 472774479 XZXWAROLJNDABF-INIZCTEOSA-N 253.430 3.604 30 20 CHED C=CCCCCNC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 472838015 YFXIPBKZDPATBB-ZBFHGGJFSA-N 272.392 3.745 30 20 CHED C=CCCC1(C(=O)NCCCc2c[nH]c3ccccc23)CC1 475757923 HUYSOMKEWCVGHX-UHFFFAOYSA-N 296.414 3.963 30 20 CHED C=CCCCCCSc1nc(CC)cc2nncn12 477044778 ORCPQEQEXGAUHN-UHFFFAOYSA-N 276.409 3.525 30 20 CHED COc1cc(C#N)ccc1CN(C#N)c1cccc(Cl)c1 478738971 OQKDIGYMUYBTIP-UHFFFAOYSA-N 297.745 3.708 30 20 CHED CCC[C@@](C)(CC)C(=O)N[C@H](C#N)c1ccccc1F 483974559 DQKDTMQJGXPICM-GDBMZVCRSA-N 276.355 3.723 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(C)c1C 485594151 PCNBLWNGPWXRFW-CQSZACIVSA-N 258.365 3.876 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H](C)c1cccc(OC)c1 490083111 FTFNEYLRDWUKGT-CQSZACIVSA-N 289.419 3.907 30 20 CHED C#C[C@@H](C)N(C)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 491812283 NMTSEOILZKPDER-NWDGAFQWSA-N 297.320 3.679 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 503327700 DUMBDHYPOACFCE-STQMWFEESA-N 288.391 3.966 30 20 CHED C=C(C)CCc1noc(-c2cncc3ccccc23)n1 508664112 ISYBJJVBLAMDHT-UHFFFAOYSA-N 265.316 3.794 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](c1cccs1)C1CC1 509122649 KIRPOYPNJJZDLD-MRXNPFEDSA-N 296.395 3.809 30 20 CHED CC(C)CCN(CCC(C)C)C(=O)NCCCCC#N 510578702 LKWMDQKTTXJXRN-UHFFFAOYSA-N 281.444 3.784 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@](F)(c2ccccc2F)C1 513522209 XKYBSRLJXKFYFS-KRWDZBQOSA-N 293.357 3.825 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2c(s1)CC[C@H](C)C2 523968530 ZIUROQHWUQQBQX-WDEREUQCSA-N 263.406 3.567 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(Cc2ccc(C#N)nc2)n1 528205881 LSKJYXBOBIJNPR-DZGCQCFKSA-N 296.374 3.611 30 20 CHED C=CCCO[C@H](C)c1nc(N(CC)c2ccccc2)no1 528220991 DVAPZMUVWJTLRX-CYBMUJFWSA-N 287.363 3.881 30 20 CHED C=CCC1(c2nc([C@H]3CC[C@@H](C)O3)no2)CCCC1 528244339 WDKCDBOFBVCNPQ-VXGBXAGGSA-N 262.353 3.698 30 20 CHED C=C1CCN([C@H](C)C(=O)Nc2cccc3ccccc23)CC1 533281026 BSDOAWGEGFDOAL-OAHLLOKOSA-N 294.398 3.819 30 20 CHED CC1=C(C(=O)Nc2sc(C)c(C)c2C#N)CCC1 533328968 PSHLLSBNUAHEIB-UHFFFAOYSA-N 260.362 3.676 30 20 CHED C=C(C)[C@@H](CC(=O)NC(C)(C)c1cccc(C)c1)OCC 534396610 ICGPBSXDXHCMTN-MRXNPFEDSA-N 289.419 3.718 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cc(Cl)ccc1Cl 538194766 LKUTZFSQHJDDRB-QWRGUYRKSA-N 288.218 3.829 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](c1ccccc1)C1CC1 538612528 XSOVAPRDRLNSRZ-CVEARBPZSA-N 272.392 3.792 30 20 CHED N#Cc1c[nH]c2ccccc2c1=NCCCc1cccs1 538788632 RUDANGKXHIBTNR-UHFFFAOYSA-N 293.395 3.635 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@H]1CC(C)C 540495307 TVOLOZLQETUXBR-INIZCTEOSA-N 281.440 3.787 30 20 CHED C=CCCc1nc(-c2ccccc2OCC(C)C)no1 545636583 KTJMJLYMSBLZLF-UHFFFAOYSA-N 272.348 3.890 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](CC)C1 549700179 ULZYBQRTQAPDMS-OAHLLOKOSA-N 296.418 3.758 30 20 CHED C=CCOCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 550105715 TWPRUPZLVPVDAU-OAHLLOKOSA-N 297.851 3.709 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(NC3CC3)nc2)n1 551136657 OYOGNFHPEBXSJB-UHFFFAOYSA-N 284.363 3.560 30 20 CHED C=CCCCCCNc1ccc(C)cc1C(=O)NC 556056127 DUGKFDQGTIXKHQ-UHFFFAOYSA-N 260.381 3.513 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](CO)C1CCCCC1 556241541 NCCQQOQZTFIKAD-JKSUJKDBSA-N 253.430 3.510 30 20 CHED C=CCOCCSc1nc(-c2ccccc2)ccc1C#N 558825444 JUGOJVFNMFHVRC-UHFFFAOYSA-N 296.395 3.915 30 20 CHED N#CCC[C@@H](C#N)CNc1cccc(Oc2ccccn2)c1 565460295 YGZYQHMHRVUQRF-AWEZNQCLSA-N 292.342 3.729 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](Nc1cc(C#N)ncn1)CC2 569887579 QRNARHUHTAOPIT-INIZCTEOSA-N 278.359 3.571 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC2CCCCCC2)c1 572580889 HJWRDAPSTUUNMP-DLBZAZTESA-N 282.387 3.501 30 20 CHED Cc1csc(NC(=O)N2CCCCC(C)(C)C2)c1C#N 573575425 HBPAWTCPGGPMHA-UHFFFAOYSA-N 291.420 3.972 30 20 CHED C[C@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccc(C#N)cc1 578999862 BLAYXUOKZXUAPP-JQFCIGGWSA-N 297.402 3.593 30 20 CHED CC[C@@H](CC#N)NC(=O)C[C@H](C)CCC=C(C)C 579125551 NVNWTIFEVCIZEO-KGLIPLIRSA-N 250.386 3.567 30 20 CHED C[C@](C#N)(NC(=O)[C@H]1CCCCC1(F)F)C1CCCCC1 581865147 NXMQGQXPDJPOQA-UKRRQHHQSA-N 298.377 3.791 30 20 CHED C[C@H]1C[C@H](NCCc2cccc(C#N)c2)c2ccccc21 583225698 APYLHLCRYVVQEC-LIRRHRJNSA-N 276.383 3.939 30 20 CHED CC(C)Cn1ncc(N[C@H]2CCC[C@@H](C#N)C2)c1C1CC1 588232843 WVNHIELBMKWBMR-HIFRSBDPSA-N 286.423 3.911 30 20 CHED CC(=O)Nc1ccc(-c2ccc(C#N)c(Cl)c2)cc1 589963008 SPYVXCRZEWWDPZ-UHFFFAOYSA-N 270.719 3.837 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N[C@H](C2CCC2)C2CC2)c1 590892862 HRBBAVAFJVFWRS-OAHLLOKOSA-N 288.778 3.520 30 20 CHED C=CC[C@@H](C(=O)N(CC)CCSC)c1ccccc1 592738098 SAMKQHHJYQOGJW-OAHLLOKOSA-N 277.433 3.558 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(COC2CCCC2)cc1 593483054 YIPBRSXXWQVVAO-AWEZNQCLSA-N 286.375 3.634 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccccc1 593934671 POTVBEMUAZIBMD-LSDHHAIUSA-N 292.382 3.614 30 20 CHED CC[C@@H](N[C@H](C)Cc1ccccn1)c1ccc(C#N)cc1 594514478 IZSGEROPBYBBND-RDTXWAMCSA-N 279.387 3.625 30 20 CHED N#Cc1cccc(-c2ccc(CC3(CN)CC3)cc2)c1 600777018 ONSYGZNMCDBCCD-UHFFFAOYSA-N 262.356 3.507 30 20 CHED Cc1ccc(CNCc2cccc(OCCCC#N)c2)o1 601151890 HHJSVAZNFHYOFU-UHFFFAOYSA-N 284.359 3.560 30 20 CHED Cc1ncc([C@H](C)Nc2nc(C)c(C#N)cc2Cl)s1 601227295 DYHYAIUUKKMZCM-QMMMGPOBSA-N 292.795 3.853 30 20 CHED COc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cccc(C#N)c1 601267011 SQTOKBXXTUXOLV-ORAYPTAESA-N 292.382 3.905 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)C#N)c1cc(C)ccc1C 602285979 FCRWQLKAAJNKJS-OAHLLOKOSA-N 287.407 3.604 30 20 CHED Cc1ccc(Br)cc1CNC[C@H](C)CCC#N 602626194 JRMOCNRGEJZAPR-LLVKDONJSA-N 295.224 3.787 30 20 CHED CN(C(=O)c1coc2ccccc12)c1ccc(C#N)cc1F 609587241 WPIMVAYNBORUFA-UHFFFAOYSA-N 294.285 3.720 30 20 CHED CCc1ccc([C@H](C)C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 609735688 PLGBNLIAPMEWKT-VCBZYWHSSA-N 298.430 3.941 30 20 CHED CC[C@H](C)CN(CC)C(=O)N[C@H](C)c1cccc(C#N)c1 610500060 XLNOGOWHPCXMDE-UONOGXRCSA-N 287.407 3.697 30 20 CHED CSc1ccc(CN2CCC[C@](C)(C#N)C2)cc1 612155542 WPXFNKGMRNGYTR-OAHLLOKOSA-N 260.406 3.534 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 614134140 TZCJAXFBCOGHFB-FGTMMUONSA-N 283.415 3.974 30 20 CHED CC(C)(CC(F)(F)F)Nc1cccc(F)c1C#N 614830528 AHHWVADFTHGGTN-UHFFFAOYSA-N 260.234 3.840 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(F)c(C)cc2F)C1 617782787 MLVJCERFIXXLNE-GFCCVEGCSA-N 279.330 3.702 30 20 CHED C=C(C)[C@H](CC(=O)N1CC[C@H](C2CCCCC2)C1)OCC 618184733 DWMHBUOTZFLHSK-IRXDYDNUSA-N 293.451 3.787 30 20 CHED CC[C@H](N[C@H](C)c1c(C)noc1C)c1ccc(C#N)cc1 618567972 BCUALCFULDZUGE-BZNIZROVSA-N 283.375 3.965 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](CC)C1CC1)c1ccccc1 618868107 KPIJFFZQSLHABN-CVEARBPZSA-N 257.377 3.651 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc([C@H]2CCOC2)c1 620857937 PIZDOAFUSIPSGI-INIZCTEOSA-N 287.403 3.665 30 20 CHED C=CCCC(C)(C)NC(=O)c1c(F)ccc(C)c1F 622981418 XWFRAPWWZDZZBC-UHFFFAOYSA-N 267.319 3.748 30 20 CHED C=CCn1cc(-c2ccc(CN3CCC[C@H]3C)cc2)cn1 629702785 UZHYDIRVNBCINZ-OAHLLOKOSA-N 281.403 3.720 30 20 CHED C=CCCOc1ccccc1-c1cnc2n1CCCC2 630053924 YUJTWMBOHAHKAJ-UHFFFAOYSA-N 268.360 3.841 30 20 CHED C=CCCc1ccccc1NC(=O)c1cnn(CC2CC2)c1 632883234 QLXDLRXSORSQEN-UHFFFAOYSA-N 295.386 3.664 30 20 CHED C=CCC1(NCc2cc(C)c(C)cc2C)CCOCC1 657632867 OYEDNLKKCVXGRS-UHFFFAOYSA-N 273.420 3.827 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1ccccc1 663402057 GNTFFMHMUAAJNC-ZDUSSCGKSA-N 260.381 3.792 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(OC)cc1OC 665177072 KQAYPCVSGDFRGW-UHFFFAOYSA-N 292.379 3.570 30 20 CHED CCC#C[C@H](C)Sc1nnc(Cc2cccs2)o1 677132859 VSPAPGYUKFIFHP-JTQLQIEISA-N 278.402 3.616 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CCCC(F)(F)C1 695130631 IFNQANFPWBPCBG-GFCCVEGCSA-N 250.292 3.857 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CCc2sccc21 726889519 DAMWQRGMXJXSOF-FLIBITNWSA-N 285.324 3.869 30 20 CHED CCCC[C@@H]1CCC[C@@H]1/N=C\c1ccc(O)c(O)c1O 727781875 ZHQOQWKIQRUCSM-JYINORFOSA-N 277.364 3.581 30 20 CHED N#Cc1cc(F)ccc1COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 728616176 PLZCGEMBRDBWKZ-OBJOEFQTSA-N 287.334 3.567 30 20 CHED CSc1ccc2c(c1)CCCC2=NNc1ccc(C)nn1 729938290 SUNOQXPJLUMSNL-UHFFFAOYSA-N 298.415 3.659 30 20 CHED CCCCN(C(=O)c1ccc(C=NOC)cc1)[C@H](C)CC 732094263 FMABSKWWJWZDJS-CQSZACIVSA-N 290.407 3.708 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NC[C@@]1(C)CCOC1 733340782 QDNFFHPLENRJNK-NVXWUHKLSA-N 298.471 3.709 30 20 CHED C[C@@H]1CCCC[C@H]1N1CCC(=NNC2CCCC2)CC1 733902043 ZCIPRBAKUQRNHJ-RHSMWYFYSA-N 277.456 3.549 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)/C=C/c1ccccc1C#N 737593797 ZBNICOYXFAYRFD-XAZATZFJSA-N 296.414 3.999 30 20 CHED Cc1cccc(NN=Cc2nccc3ccccc23)c1 740760544 WZFZJEMIDNMIDJ-UHFFFAOYSA-N 261.328 3.989 30 20 CHED C#CCN(CCC(F)(F)F)[C@@H]1CCc2ccccc21 740874748 GEOCHAZKZGPXLM-CQSZACIVSA-N 267.294 3.562 30 20 CHED C=C(Cl)COC(=O)[C@H]1C[C@@]12CCCc1ccccc12 745719506 HZEIJKROJHJAJZ-GDBMZVCRSA-N 276.763 3.576 30 20 CHED N#Cc1csc(/C=C2\CCc3sccc3C2=O)c1 748440102 GXLOXQSOOUIXMP-UXBLZVDNSA-N 271.366 3.894 30 20 CHED CCO[C@H]1CC(=NNc2ccc(F)cc2C)C1(C)C 750938693 MFFBVTCWQJPQIZ-AWEZNQCLSA-N 264.344 3.737 30 20 CHED CC(C)[C@@H](O)C(C)(C)CNc1nc2ccccc2cc1C#N 754070782 RKHLADGUAPLFJH-MRXNPFEDSA-N 297.402 3.561 30 20 CHED C#CCN(C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21)C1CC1 754313435 ZTYLDMOVBVCNKT-HUUCEWRRSA-N 281.399 3.600 30 20 CHED C(=NNc1ncnc2sccc12)c1cccc2[nH]ccc12 755589264 QEGAMVFDWVSVCV-UHFFFAOYSA-N 293.355 3.619 30 20 CHED C(=NOCc1ccccc1)c1cnc([C@@H]2CCCO2)s1 755633626 XIXZZMDVZJKSQS-AWEZNQCLSA-N 288.372 3.545 30 20 CHED CCN(C)c1ccc(C(C)=NNc2cc(C)ccn2)cc1 755900810 PDWJBDPVXLKKMU-UHFFFAOYSA-N 282.391 3.682 30 20 CHED CSc1cc(C)ccc1C/N=C\c1cccc(O)c1O 756775014 LHFNWTPFCQWERB-YVLHZVERSA-N 287.384 3.747 30 20 CHED N#Cc1ccc(O)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 756788355 KTODZFWFPDNYBH-SOUVJXGZSA-N 298.386 3.809 30 20 CHED Cc1ccc(C)c(/C=C/C(=O)c2cc(O)ccc2O)c1 757466995 AJHISQWRFRDBNT-FNORWQNLSA-N 268.312 3.611 30 20 CHED Cc1ccc(COC(=O)c2cccc(C#N)c2)cc1C 758365492 WRNQCUXETVLNBF-UHFFFAOYSA-N 265.312 3.532 30 20 CHED COc1cc(F)cc(NN=CC2=Cc3ccccc3OC2)c1 759210239 PFWZAGMBOLFZQU-UHFFFAOYSA-N 298.317 3.708 30 20 CHED C=C(C)CNC(=S)N1CCCC[C@@H]1CCC(C)C 760281304 CRDPPIQCUCMISY-CQSZACIVSA-N 268.470 3.728 30 20 CHED C=CCCC(=O)COC(=O)[C@H](Cc1ccccc1)C(C)C 761401051 FCGYVCOJCZFXPL-QGZVFWFLSA-N 288.387 3.580 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 762722270 JTVMZOONXYIFCR-CQSZACIVSA-N 283.375 3.713 30 20 CHED Cn1nccc1/C=C1/CCc2c(sc3ccccc23)C1=O 763102654 ZMIMFGIJRDJWDR-KHPPLWFESA-N 294.379 3.847 30 20 CHED CC(=NOCC(F)(F)F)c1cc(C)sc1C 764845124 QRFUCJGHVNXUBF-UHFFFAOYSA-N 251.273 3.668 30 20 CHED Clc1ccc(Cl)c(NN=C2CCN3CCC[C@H]23)c1 765582292 WEJFXWDGBROUEI-CYBMUJFWSA-N 284.190 3.629 30 20 CHED CC#CCCCC(=O)Nc1cccc(N2CCCCC2)c1 767077612 HYWGXIWDJCYEQX-UHFFFAOYSA-N 284.403 3.809 30 20 CHED CC1CC(C#N)(C(=O)OCc2ccc(Cl)c(Cl)c2)C1 767423815 DZXZLOKRIYKKNE-UHFFFAOYSA-N 298.169 3.976 30 20 CHED Cc1cc(C=NNc2cccc3cnccc23)c(C)o1 767907956 JBEXZNINTJLZPK-UHFFFAOYSA-N 265.316 3.891 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccc([N+](=O)[O-])cc2)C1 768358782 YSDASFIITJKZRJ-NWDGAFQWSA-N 261.325 3.819 30 20 CHED FC(F)(F)CON=C1CCCOc2cc3c(cc21)CCC3 768481843 BOGAWICQMADOTB-UHFFFAOYSA-N 299.292 3.631 30 20 CHED CCC[C@H](C=NNc1ncccc1[N+](=O)[O-])c1ccccc1 769585223 MHZBBONFJVOCLD-CQSZACIVSA-N 298.346 3.971 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Oc1ccc(C#N)cc1F 769739461 PEZQYFGTXXLBCV-DGCLKSJQSA-N 275.323 3.819 30 20 CHED COc1ccsc1C(=O)/C=C1/COc2ccc(F)cc21 769744774 QMRJKDMDFCXREZ-TWGQIWQCSA-N 290.315 3.555 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cnc(-c2ccccc2)nc1 769783971 KOURUSHHAQZNEW-FPLPWBNLSA-N 290.322 3.941 30 20 CHED O=[N+]([O-])c1cc(NN=C/C=C\c2ccccc2)ccc1F 769830263 MUHCROXZHGPVTR-HKWHNATCSA-N 285.278 3.845 30 20 CHED C=CCN(C(=S)Nc1ccc(C)c(C)c1)C1CC1 771545116 CBGTXXSMNZNFSE-UHFFFAOYSA-N 260.406 3.651 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cn1 772648031 ACHOREIEHMFBLI-CYBMUJFWSA-N 294.354 3.995 30 20 CHED C[C@@H](OC(=O)C#Cc1ccccc1)c1ncc(C(C)(C)C)o1 773452054 HZKVCSRGXLNGBK-CYBMUJFWSA-N 297.354 3.628 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2ccccc2Cl)c1 774104644 JTMVYEGRODFSFY-SREVYHEPSA-N 290.702 3.616 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2cccc(F)c2F)c1 774133652 GEMVWRPHXXUSKH-FPLPWBNLSA-N 288.249 3.559 30 20 CHED COc1cc(F)c(C(C)=NOC2CCCC2)cc1OC 774597729 WYUJUZMUJOMLFP-UHFFFAOYSA-N 281.327 3.526 30 20 CHED CC[C@H](NCc1cccc(C#N)c1F)c1ccccc1OC 775073889 BFESVARBKMUSAJ-INIZCTEOSA-N 298.361 3.947 30 20 CHED C=C(Cl)CNC(=O)Nc1c(C)noc1-c1ccccc1 775763917 UZVSNALOMUAACR-UHFFFAOYSA-N 291.738 3.524 30 20 CHED N#C[C@@H](OC(=O)/C=C/c1ccsc1)C1CCCCC1 776363582 IZFHWVPZJCWYCR-PSKZRQQASA-N 275.373 3.777 30 20 CHED C[C@H](CC(=O)OCc1ccccc1C#N)c1ccccc1 776465984 KEUPBIIYWGHVHU-CQSZACIVSA-N 279.339 3.795 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](F)Cc1ccccc1 778009618 IEYMTGGPQSWSDE-INIZCTEOSA-N 277.383 3.772 30 20 CHED N#CCOc1cccc(NC[C@H]2C[C@@H]2c2ccccc2)c1 779588590 OJLIZQGOGCXLBZ-CRAIPNDOSA-N 278.355 3.805 30 20 CHED C#CCSCCNCc1ccc(Oc2ccccc2)o1 779974179 XZBGNJLKEYMFSX-UHFFFAOYSA-N 287.384 3.528 30 20 CHED C/C(C=NN[C@@H]1CCOC(C)(C)C1)=C\c1ccccc1 780251297 UAERAUBGFJTMDR-LRSVSDOESA-N 272.392 3.623 30 20 CHED CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNCCC(C)(C)C 782903205 RIEYYUCPVMGVNR-LBPRGKRZSA-N 299.459 3.691 30 20 CHED C=C[C@@H]1CCCCN1C[C@H](O)c1ccc(Cl)c(F)c1 785997274 KKCFLALMXPAXIE-DOMZBBRYSA-N 283.774 3.553 30 20 CHED C=C(CC)CN1CCC(COc2ccc(Cl)nc2)CC1 789313102 LEEKRAQMJNFFBV-UHFFFAOYSA-N 294.826 3.792 30 20 CHED C#CCCCNC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 792598958 UIAPIVVARGQBBO-CABCVRRESA-N 269.388 3.506 30 20 CHED CC[C@@H](C)CON=Cc1ccc(Oc2cnccn2)cc1 793146967 WVQDBHLCLDONSH-CYBMUJFWSA-N 285.347 3.666 30 20 CHED N#Cc1ccc(C(=O)N2CCC(C3CCCCC3)CC2)o1 794239297 QTUYWWFROSCNSI-UHFFFAOYSA-N 286.375 3.584 30 20 CHED Fc1ccc(NN=Cc2ccc(C(F)F)cc2)nc1 794510283 MDAZMUFNXUTKDW-UHFFFAOYSA-N 265.238 3.604 30 20 CHED CCc1cccc2c1OC/C(=C/c1cc(C#N)cs1)C2=O 794728039 LVORYRKPANIAQF-QPEQYQDCSA-N 295.363 3.841 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H](C)c1ccc(F)cc1F 797883950 BFALAPLCHOOSIU-QMMMGPOBSA-N 291.253 3.656 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1cccc3nccn13)C2=O 798232576 XPIDLPSKACIZEY-XNTDXEJSSA-N 292.363 3.972 30 20 CHED C#C[C@H](NC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C)C(C)C 798555368 CPMLGVNOTWZINB-RYRKJORJSA-N 298.430 3.540 30 20 CHED O=[N+]([O-])c1cccnc1NN=CCC1CCCCCC1 799111516 SIAVYARMIATRDP-UHFFFAOYSA-N 276.340 3.748 30 20 CHED CCOc1ccccc1NC(=O)c1ccc(C)c(C#N)c1 799294565 FXGWIXYXQZAMNK-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CC(=NNc1nccnc1C(C)C)c1cc(C)c(C)o1 799886793 CLEREVYHXJUJLD-UHFFFAOYSA-N 272.352 3.646 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1CCCC12CCOCC2 799887335 UIWFVOPKRCRJPC-AWEZNQCLSA-N 278.440 3.882 30 20 CHED CC#CC(=O)NCC1(c2ccc(C(C)C)cc2)CCCC1 801153769 CEMPWOUTHVOPTJ-UHFFFAOYSA-N 283.415 3.761 30 20 CHED C[C@@H]1CN(c2nc(Cl)c(C#N)s2)Cc2ccccc21 804327314 NWBOZYOGKQMDLL-SECBINFHSA-N 289.791 3.792 30 20 CHED C=CCCCCCCCCNC(=O)N[C@@H]1CCO[C@@H](C)C1 805252303 ZUBIIMZFGYYNRK-JKSUJKDBSA-N 296.455 3.770 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2cc(OC)ccc2c1 806615013 GSVQDGNZIXURIP-OAHLLOKOSA-N 296.370 3.772 30 20 CHED C#CCCCS[C@@H](C)C(=O)NCCC1=CCCCC1 808363386 FHRMZZOEURNAQC-AWEZNQCLSA-N 279.449 3.528 30 20 CHED C#C[C@@H](CC)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 809686796 LKCYPTLRPJBVMZ-DLBZAZTESA-N 257.352 3.763 30 20 CHED C#Cc1ccccc1CC(=O)NCC(CC)(CC)CC 810526612 BPSRNCAHDWXQQK-UHFFFAOYSA-N 271.404 3.543 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1cc(F)cc(F)c1 811690524 BUHRAZJLYHYSQI-PLNGDYQASA-N 287.240 3.872 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@@H]1CC)c1ccc(Cl)cc1 811959716 VEFCBSAKLCNZNT-LSDHHAIUSA-N 290.794 3.598 30 20 CHED CCC[C@H](Nc1ccc(C#N)c(C)n1)[C@H](O)c1ccccc1 813606339 XAMZGFPXTHQOTB-FUHWJXTLSA-N 295.386 3.576 30 20 CHED C1=C([C@H]2CCCCC2=NNc2cnccn2)CCCC1 814797607 RSOZKKPZRLFUFC-CQSZACIVSA-N 270.380 3.935 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CC[C@H]1C1CCC1 814824343 SIXNYIMWNULYPU-ZDUSSCGKSA-N 273.336 3.881 30 20 CHED CC(=NOC1CCCCC1)[C@H](C)CCCCC(=O)O 814910096 QHEIRWNYTXJKMH-GFCCVEGCSA-N 269.385 3.993 30 20 CHED Fc1cncnc1NN=C1CCCCC12CCCC2 814939718 BTUWEJHNJFISLN-UHFFFAOYSA-N 262.332 3.518 30 20 CHED Cc1ccc2nc(C(=O)OCCC(C)(C)C#N)ccc2c1 815395396 RZCWJJCQOHNVDR-UHFFFAOYSA-N 282.343 3.640 30 20 CHED C=CCCOC(=O)c1cc(Cl)c(F)cc1Cl 815503089 HENDNMHNYASVGL-UHFFFAOYSA-N 263.095 3.865 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc2ccccc2c1O 816599018 ZKQWTZWELHYJGN-APWZRJJASA-N 297.398 3.616 30 20 CHED CN(C)C1CCC(/N=C/c2c(O)ccc3ccccc23)CC1 817708444 XWPJYNZJYADYDI-DEDYPNTBSA-N 296.414 3.837 30 20 CHED N#CCC[C@H](NCc1cccc(C(=O)O)c1)c1ccccc1 821320845 ZYHALTCSSXXAEV-KRWDZBQOSA-N 294.354 3.519 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(CN(C)C)c(C)c1 822484371 NLZJEZKWGHJPCE-CQSZACIVSA-N 274.408 3.597 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1 825291310 JJIOCNXPPMGWNR-MXSMSXNCSA-N 284.403 3.646 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)N1CCC[C@H](C#N)C1 830065846 MRDCPEVZIWSXLI-CQSZACIVSA-N 284.403 3.651 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc(C(=O)O)cc1 832890397 UXCDYQHTNLXNHZ-VQHVLOKHSA-N 284.286 3.728 30 20 CHED N#Cc1ccc(SCc2occc2C(=O)O)c(Cl)c1 833074084 ODEYPHNFAFHHAK-UHFFFAOYSA-N 293.731 3.795 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)O)c(F)c1 833369666 COXKDOOJCJVCQY-UHFFFAOYSA-N 292.310 3.623 30 20 CHED CC[C@@H](C)[C@H](C=NNc1ncccc1C(F)(F)F)OC 834940430 GEAPYOCIGIICDZ-KOLCDFICSA-N 289.301 3.559 30 20 CHED c1ccc2nc(NN=C3CCCC34CCC4)cnc2c1 834956408 UUTFPVXBCCNMOC-UHFFFAOYSA-N 266.348 3.752 30 20 CHED CSCCON=C1CCC(OC2CCCC2)CC1 834975314 GFIYDQRRYBPUEJ-UHFFFAOYSA-N 271.426 3.624 30 20 CHED C[C@@H](NN=Cc1ccc(C(F)(F)F)s1)C(F)(F)F 834998260 SDOILLYUMWGTCF-RXMQYKEDSA-N 290.232 3.641 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1 835393043 SQSPBVHBTHCKCD-VIFPVBQESA-N 287.281 3.917 30 20 CHED Cc1cccc(Cl)c1COC(=O)C1(C#N)CCCC1 835485345 CXUBQBMWCOEDDW-UHFFFAOYSA-N 277.751 3.776 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 837595467 FNRLNGIUEBEVSF-SMDDNHRTSA-N 293.769 3.501 30 20 CHED CC(C)(CC#N)CNc1nc2ccc([N+](=O)[O-])cc2s1 840335420 WFRQZKYFSIZEFL-UHFFFAOYSA-N 290.348 3.556 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)C[C@@H]1CCOC1 840887712 NKNAZTBZYNZYAJ-BPQIPLTHSA-N 273.420 3.579 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1cnc(C(C)(C)C)nc1)C2 841487855 BFRZXEROKXUQLU-OVCLIPMQSA-N 292.382 3.905 30 20 CHED C[C@@H]1CC(=NNc2ccc(Cl)c(Cl)c2)CO1 842524450 CDXMPXVZSGQOND-SSDOTTSWSA-N 259.136 3.570 30 20 CHED CCCON=Cc1csc(-c2ccsc2)n1 842558237 VNMLRRBJUAGMEO-UHFFFAOYSA-N 252.364 3.632 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)c1cccc(F)c1 843265870 QCLASGKJZNSVGS-VOTSOKGWSA-N 272.323 3.574 30 20 CHED CC/C(=C/C(=O)N(C)[C@H](C#N)CC)c1cccc(Cl)c1 847167978 KIWFJOROBACXEU-WQTVUKCASA-N 290.794 3.894 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@@H]1CCC(=O)[C@H]1C 847743850 JBKBQSIHIUXHDV-JLHDYFKBSA-N 292.419 3.916 30 20 CHED C#C[C@@H](C)NCc1cnc(-c2ccc(C)c(C)c2)s1 848911620 WMJVHNVSVMETPE-CYBMUJFWSA-N 270.401 3.538 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc(C)sc1-n1cccc1 850979443 QFZINZRQXNVYJN-LBPRGKRZSA-N 288.372 3.696 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@H](C)CCCOC 851144917 UULXHVMOMYCTQA-KFWWJZLASA-N 268.397 3.727 30 20 CHED Cc1ccc2[nH]cc(C=NN3CCCC[C@H]3C)c2c1 853380086 NBIJMVHEWTYQEM-CYBMUJFWSA-N 255.365 3.685 30 20 CHED CCO[C@H]1CC(=NNc2ccnc(Cl)c2)C12CCCC2 853394797 ZNZWBZDTENOFKP-ZDUSSCGKSA-N 293.798 3.872 30 20 CHED C=CCC1(NC(=O)c2ccc(CF)cc2)CCCC1 855928482 RCEJJKWAKXABPP-UHFFFAOYSA-N 261.340 3.775 30 20 CHED CC1(C)CCCN(C(=O)Nc2sccc2C#N)CC1 864256256 NCOXQOZAZTWJGA-UHFFFAOYSA-N 277.393 3.664 30 20 CHED C=CCc1ccc(OC(=O)c2ccccc2OC)c(OC)c1 875123748 LULZLOKJTGUWMA-UHFFFAOYSA-N 298.338 3.652 30 20 CHED C#CCCCCCCN1CCCC[C@H]1c1ncc[nH]1 876655978 AOGSSNPTLMOZHA-HNNXBMFYSA-N 259.397 3.520 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2cccc(OC)c2)CC1 887955873 QKBVBMSPVXCNBI-ZDUSSCGKSA-N 273.376 3.619 30 20 CHED C=CC(C)(C)CC(=O)N(CC(C)C)CC(F)(F)F 888196675 HVBAYHDCHFADSP-UHFFFAOYSA-N 265.319 3.636 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(OC)ccc1OCC 888818637 NHLBLVXLISIMDZ-UHFFFAOYSA-N 277.364 3.635 30 20 CHED N#Cc1ccc(N[C@@H]2CCCc3ccc(F)cc32)c(CO)c1 893617200 PWJMTJXEJLMCKB-GOSISDBHSA-N 296.345 3.679 30 20 CHED CC[C@H](C)CC(=O)N(O)Cc1cccc2ccccc12 901371256 SUDLHIGRZIPXMR-ZDUSSCGKSA-N 271.360 3.994 30 20 CHED N#Cc1csc(/C=C/c2scnc2C2CC2)n1 901544016 MGXXEHXERDIUBP-ONEGZZNKSA-N 259.359 3.519 30 20 CHED C=C(C)C[C@H](N[C@@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)O 901680364 WUMBGCWWGOLXDA-ZNMIVQPWSA-N 281.440 3.990 30 20 CHED C=CCC[C@@H](NCc1c(CC)oc2ccccc12)C(=O)O 901689876 HOZQYDFLCPLFKQ-CQSZACIVSA-N 287.359 3.504 30 20 CHED N#CC1(CCCCOC(=O)c2c[nH]cc2C2CC2)CCC1 909488152 OVIVONCCZOZTDC-UHFFFAOYSA-N 286.375 3.913 30 20 CHED C[C@H]1CCc2c(C(=O)OCCCCC#N)csc2C1 912956130 ODHAKRGVWAFHBQ-NSHDSACASA-N 277.389 3.724 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C\c1ccco1 914611474 BFPXTCKJQLYPRJ-KHPPLWFESA-N 267.328 3.508 30 20 CHED CC(=NNc1nncc2ccccc12)c1cc(C)oc1C 915910001 ZAZQMVJXJGPTDO-UHFFFAOYSA-N 280.331 3.676 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(C)C 915976679 XQMKWKINFFIIOL-UHFFFAOYSA-N 255.705 3.692 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C\c1c(C)n[nH]c1C 915988429 VUJGBUWPLDLIFK-WAYWQWQTSA-N 290.750 3.585 30 20 CHED Cc1ccc(-c2nnc(S)n2N=C[C@@H]2CC=CCC2)cc1 916306308 HFFWWHMGTKYHMP-CYBMUJFWSA-N 298.415 3.732 30 20 CHED Cc1ccc([C@@H](C)/N=C\c2cccc(O)c2O)cc1 917559112 GPEPJEBJAKVZCI-HJPCULJESA-N 255.317 3.586 30 20 CHED C=C(Cl)COC(=O)c1cc(-c2ccc(C)cc2)no1 919100786 ZXTBBHABGXYEKW-UHFFFAOYSA-N 277.707 3.559 30 20 CHED C=CCOC(=O)CCn1c2ccccc2c2ccccc21 919298731 CAIRSRQZCOOFDZ-UHFFFAOYSA-N 279.339 3.914 30 20 CHED C#CCCOc1ccc(-c2nc3ccccc3[nH]2)cc1 920424113 XFALQYYIDPTIFG-UHFFFAOYSA-N 262.312 3.632 30 20 CHED CCOc1cccc(/C=N\[C@@H]2C[C@@H]2c2cccc(F)c2)c1O 921260663 DVTYBNIWQURSAY-FASCHPMRSA-N 299.345 3.905 30 20 CHED C=CC[C@@H](N[C@H](C)C1(Br)CC1)c1ccncc1 925075803 QXKMKHMDITZSAO-DGCLKSJQSA-N 295.224 3.604 30 20 CHED COc1c(CN[C@@H](C)CC(C)(C)C#N)oc2ccccc12 926257598 BVYBUDAIRVXUQS-LBPRGKRZSA-N 286.375 3.859 30 20 CHED C=CCCCCCCCN[C@H](C)c1ccnc(O)c1 926443811 MUZWBPKUVBWVAX-CQSZACIVSA-N 262.397 3.964 30 20 CHED N#CC1(CCCCN2CCCc3occc3C2)CCC1 930506706 SNGGAXOFZBCCAM-UHFFFAOYSA-N 272.392 3.892 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](c1nc(C)cs1)C1CC1 933509922 RWRKIYZWGPKYDG-BXUZGUMPSA-N 278.421 3.621 30 20 CHED C=C(CC)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 1116462185 LQJVDSJPRWIAOS-UHFFFAOYSA-N 284.311 3.882 30 20 CHED Cc1nc(-c2nnc(-c3ccccc3Cl)o2)ccc1C#N 1117195421 ULEYPENDBHWALW-UHFFFAOYSA-N 296.717 3.632 30 20 CHED C#CCN(C(=O)c1ccc(-c2cccs2)s1)C1CC1 1117795241 KYPRJPVNCJPICM-UHFFFAOYSA-N 287.409 3.714 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)Nc1ccccc1C#N 1124195391 WWWYPZTWONWZLN-UHFFFAOYSA-N 279.343 3.637 30 20 CHED Cc1cc(C)c(CNC(=O)c2cc(C#N)ccc2F)c(C)c1 1124911743 YXLNAVAWUUGNHV-UHFFFAOYSA-N 296.345 3.553 30 20 CHED CC(C)CCN(c1ncc(C#N)cc1F)C1CCCC1 1185074091 YYEKRQHNUUYVCZ-UHFFFAOYSA-N 275.371 3.887 30 20 CHED CC(C)[C@@H]1N(c2ccnc(C#N)c2)CC12CCCCC2 1186669158 CHAHBHGYKMWELO-INIZCTEOSA-N 269.392 3.748 30 20 CHED Cc1ccccc1OC(=O)C1(c2cccc(C#N)c2)CC1 1253311413 DWLNULJGFGLTKQ-UHFFFAOYSA-N 277.323 3.504 30 20 CHED CC(C)CN(CCc1ccccc1)c1ccc(C#N)cn1 1307075951 ZZTUZPHJADBCIZ-UHFFFAOYSA-N 279.387 3.658 30 20 CHED C=CCCCCCN(C)C(=O)CCOc1ccccc1C 1318707409 GKNQZJNXJTWZEH-UHFFFAOYSA-N 289.419 3.969 30 20 CHED CC(C)c1nc(CN[C@@H]2CCc3cc(C#N)ccc32)cs1 1321051148 GMGPJYNANRDHJH-MRXNPFEDSA-N 297.427 3.915 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1cccc(F)c1F 1323476249 RNEJFRZISDQXFM-JTQLQIEISA-N 284.375 3.996 30 20 CHED CCCn1nccc1/C=C1/COc2c(C)ccc(C)c2C1=O 1327599682 VYSGDYKALQLKPR-UVTDQMKNSA-N 296.370 3.569 30 20 CHED C=C(Br)CN(C)Cc1cc2ccccc2[nH]1 1331662769 ZHVRKUOVPQYXCS-UHFFFAOYSA-N 279.181 3.508 30 20 CHED N#C[C@H](Sc1ncc(-c2ccccc2)o1)C1CC1 1331881491 MJMQWHPKEXZEMY-ZDUSSCGKSA-N 256.330 3.736 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1CC[C@H](C#N)C1 1331893788 GUBKOYBUBKXLCZ-IGQOVBAYSA-N 270.376 3.531 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)c1ncccc1C)c1ccccc1 1336256871 YRLJTSWPHXZRKO-RDJZCZTQSA-N 294.398 3.927 30 20 CHED C=CC1CCN(c2ccc(-c3ccccc3OC)nn2)CC1 1337034039 DYCKTXAOJWLYEV-UHFFFAOYSA-N 295.386 3.555 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(CF)cc1 1337558373 PTGNKFCMKYGUAT-HNNXBMFYSA-N 261.340 3.727 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 1340096803 MHVIUFFYLXWQKV-GFCCVEGCSA-N 291.395 3.651 30 20 CHED C=C(C)Cn1c(N2C[C@@H](C)C[C@@H]2CC)nnc1C(C)(F)F 1341808540 OLWCHMYDCPHEKJ-RYUDHWBXSA-N 298.381 3.591 30 20 CHED C=C[C@H](COC)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 1343276517 TWARWTROYBQNKK-BXUZGUMPSA-N 287.325 3.600 30 20 CHED CC1(COC(=O)C2(c3cccc(C#N)c3)CC2)C[C@H]2C[C@@H]2C1 1344812736 KYZCJCPDNYOZNS-HUUCEWRRSA-N 295.382 3.569 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2CCCc3ccccc32)s1 1346542553 XTGRLEWSSREMTK-INIZCTEOSA-N 297.379 3.783 30 20 CHED C#CCCCc1nnc(CSc2ccc(Cl)cc2)o1 1346638556 ILFOPSRCQCRGLC-UHFFFAOYSA-N 292.791 3.971 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H]1CCC[C@@H](C)C1 1351264047 OVXLQNVNGKZGIN-BXUZGUMPSA-N 257.333 3.602 30 20 CHED CC(C)c1cccc(C(=O)Nc2sccc2C#N)c1 1354179172 VNTMRBGJOLFAOA-UHFFFAOYSA-N 270.357 3.995 30 20 CHED CCc1ccc(N(CC)C(=O)c2cc(C#N)ccc2F)cc1 1355689517 XCGYPTSCGRJWCN-UHFFFAOYSA-N 296.345 3.926 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1ccc(F)c(C#N)c1 1360860091 DUQNLIZSTTZUMB-ZETOZRRWSA-N 275.323 3.679 30 20 CHED CN(CCC(C)(C)C)C(=O)[C@@H](CC#N)c1ccccc1 1461150734 VJGUGPVWDXPEKR-HNNXBMFYSA-N 272.392 3.578 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)cc1C 1462284841 XLQKFWTYPJPAJR-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C=C[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1 1519811655 HHQMYXGRFVGIIM-IRXDYDNUSA-N 299.414 3.564 30 20 CHED N#CCc1ccc(C(=O)N(c2ccccc2)C2CC2)cc1 1526049776 ZFXBCPYMWVNYIK-UHFFFAOYSA-N 276.339 3.562 30 20 CHED N#Cc1cccc(NC(=O)c2cccc(Cl)c2Cl)n1 1529721117 WBWPDDKSPQHPTO-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C[C@H](OC(=O)[C@@H]1CC2CCC1CC2)c1cccc(C#N)c1 1544187560 HEXDDXCGOMLKHF-HEAFNYJSSA-N 283.371 3.989 30 20 CHED CCC(CC)CN(CC)Cc1cccc(F)c1C#N 1560679767 XWCCWCBSDVDXSF-UHFFFAOYSA-N 262.372 3.955 30 20 CHED C=CCCCC(=O)Nc1c(C)ccc(Cl)c1C(=O)O 1588782842 OCKKLRJMJPDBOT-UHFFFAOYSA-N 281.739 3.641 30 20 CHED O=C(O)c1ccc(Cl)c(/C=C\C(=O)c2ccco2)c1 1602358963 RGGHZBDXXNFVAE-XQRVVYSFSA-N 276.675 3.527 30 20 CHED C=CCCCC(=O)Nc1ccc2sc(C(=O)O)cc2c1 1602861042 XPIMHKDLRMKBGT-UHFFFAOYSA-N 289.356 3.894 30 20 CHED CC1(C)CCC[C@@H]1NN=C1CCC[C@@H](CCCC(=O)O)C1 1604531971 KNXHPRADVUOMER-ZFWWWQNUSA-N 294.439 3.956 30 20 CHED N#Cc1c(F)cccc1SC[C@H]1CCCC[C@@H]1C(=O)O 1608194436 PLAYIOIPVYTVOI-MNOVXSKESA-N 293.363 3.680 30 20 CHED C=C(Cl)CN1C[C@@H](C)Oc2ccc(Cl)cc21 1644707762 QBJTWBWTFFKRIG-SECBINFHSA-N 258.148 3.680 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCN(c2ccc(C#N)cc2)CC1 1654544174 ZTYHBVWCTVALOV-SJLPKXTDSA-N 297.446 3.507 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2nc(C)ccc2C#N)c1 1655188823 UCFHRBWXAFUMBL-OAHLLOKOSA-N 279.387 3.922 30 20 CHED Cc1cc(CNC2C[C@H](C)C[C@@H](C)C2)ccc1C#N 1655671593 MUZCIUAANTVSOG-CHWSQXEVSA-N 256.393 3.781 30 20 CHED C[C@H]1Cc2cc(CNc3cccc(F)c3C#N)ccc2O1 1655832213 HAHXPFYFRCQOGN-NSHDSACASA-N 282.318 3.633 30 20 CHED O=C(O)c1ccc(NN=C[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 1776012402 RGPHENZQMKRNSW-XJKSGUPXSA-N 298.317 3.725 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CC[C@H](C(C)C)C1 1776050376 MVKLVEUZZHAGPV-NSHDSACASA-N 290.363 3.617 30 20 CHED Cc1c(NN=Cc2cc3c(o2)CCCC3)cccc1C(=O)O 1776089288 KYYMDVHBFVZVMR-UHFFFAOYSA-N 298.342 3.611 30 20 CHED C=CCN(Cc1ccc(Cl)cc1)[C@H](CC(C)C)C(=O)O 1776180588 UHJLRCAVIRRTDO-OAHLLOKOSA-N 295.810 3.827 30 20 CHED N#Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1Cl 8331399 KAGSTODOMILUQD-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H]2C2CCC2)cc1 102878165 OLJUMQAWZQZGHH-KRWDZBQOSA-N 285.387 3.656 30 20 CHED N#C[C@H](C(=O)C1CCCCCC1)c1nc2ccccc2[nH]1 102115826 PIODYJLXXFODTG-CYBMUJFWSA-N 281.359 3.710 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc3c(c2)CCO3)c1 109324243 DERJMSWUMLTSNF-SOFGYWHQSA-N 294.350 3.916 30 20 CHED CCCCCCCOC(=O)c1cccnc1Cl 108662634 BETSKUIMLDGXNP-UHFFFAOYSA-N 255.745 3.862 30 20 CHED C=CCN(C(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 102983971 ZZGXAHNGKLLXPC-UHFFFAOYSA-N 291.272 3.937 30 20 CHED CCc1cccc2c(/C=C/C(=O)c3cn(C)nc3C)c[nH]c12 54806581 AZAZAUABVTVQGH-CMDGGOBGSA-N 293.370 3.668 30 20 CHED CC1(CC(=O)NC2(C#N)CCCCC2)CCCCC1 178769284 QQEOBQWJJVDVDS-UHFFFAOYSA-N 262.397 3.690 30 20 CHED CC(C)(C#N)CCCN1CCO[C@H](c2ccccc2F)C1 174843254 JHKDTWQDZZGULM-INIZCTEOSA-N 290.382 3.529 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccncc1 66802114 HKMQDDHJLXFTTB-LBPRGKRZSA-N 297.383 3.728 30 20 CHED N#Cc1cccnc1NCC1(c2ccccc2Cl)CC1 301924526 YLJBBJBREVDCHD-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CC(C)c1nnc(/N=C(\O)CN2[C@@H](C)CCC[C@@H]2C)s1 25790939 FTLGXEDQHRBWAO-QWRGUYRKSA-N 296.440 3.512 30 20 CHED CN(CCC#N)c1nc(-c2ccccc2Cl)cs1 302096555 SKHPMDRAQQHAID-UHFFFAOYSA-N 277.780 3.813 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1 66320049 HSJRMGAXGFXSTA-WBVHZDCISA-N 287.403 3.640 30 20 CHED Cc1ccc(NCc2ccc(C#N)o2)cc1OC(F)F 174398535 RYNXCJWRFRHLJR-UHFFFAOYSA-N 278.258 3.673 30 20 CHED COc1ccc2ccccc2c1CNc1ccc(C#N)nc1 176767650 AOPMGUHMKHMUAR-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1sccc1C 65775803 CMWAASQXHPIKHE-UHFFFAOYSA-N 285.412 3.927 30 20 CHED C=C(C)CCN(Cc1cccs1)C[C@H]1CCCO1 351865527 UPEKELFSASMOIS-CQSZACIVSA-N 265.422 3.695 30 20 CHED CC(C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 69203012 XLLZVMPJFKTRKS-UHFFFAOYSA-N 295.342 3.880 30 20 CHED CC(C)SCCNc1ccc(Br)cc1C#N 304263687 JOWAHMNHPLIUHK-UHFFFAOYSA-N 299.237 3.874 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 63581499 LHEGLDMVVBPAIG-DNVCBOLYSA-N 292.382 3.520 30 20 CHED C[C@H](N[C@H](CCCO)c1ccccc1)c1cccc(C#N)c1 305756608 ALWDMRNGPUASCT-HNAYVOBHSA-N 294.398 3.723 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(F)c(F)c1F 179798744 RPSBQDYAXRENCZ-VIFPVBQESA-N 271.282 3.579 30 20 CHED Cc1ncsc1CCN(Cc1ccc(C#N)cc1)C1CC1 172530530 RBSRPHPFMJHQBX-UHFFFAOYSA-N 297.427 3.530 30 20 CHED CCN(C(=O)c1cccc(SCC#N)c1)[C@H](C)C(C)C 175697767 JVYFHPSTBWWROC-CYBMUJFWSA-N 290.432 3.809 30 20 CHED C[C@H](C#N)CNC(=O)c1cc(-c2ccccc2)ccc1Cl 171845044 AHKKLALJMIBHNA-GFCCVEGCSA-N 298.773 3.896 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)Cc1ccc(C(C)C)cc1 126386965 GCFNWGFEFRZDSR-OAHLLOKOSA-N 289.419 3.750 30 20 CHED COc1ccc(N/C(N)=N/CC2(CC(C)C)CCC2)cc1 305048717 ZIISMPWGLOEBQZ-UHFFFAOYSA-N 289.423 3.638 30 20 CHED CCCCCCCC(=O)N(C)[C@H](C)c1ccncc1 125569781 UCMWDOZLJBHYMG-CQSZACIVSA-N 262.397 3.962 30 20 CHED C/C=C(\C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(CCCC)cc1 127851417 XLAUZXBWCLHYFA-ZUFYJRLNSA-N 298.386 3.643 30 20 CHED Cc1cc(C)c2nc(NC(=O)C3(C#N)CCC3)sc2c1 127817197 BPOHWUXDCCPXDC-UHFFFAOYSA-N 285.372 3.546 30 20 CHED Cc1ccc(O)c([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 36991947 QABSILZTXCHSQM-ZIAGYGMSSA-N 280.371 3.984 30 20 CHED CCC[C@H](Cc1ccccc1)Nc1ncccc1C#N 301144048 FERYMFIFFKGWOR-MRXNPFEDSA-N 265.360 3.777 30 20 CHED N#Cc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2Cl)nc1 181434615 AIMYUUIHHVTSJB-GORDUTHDSA-N 285.690 3.685 30 20 CHED COc1ccc([C@@H](NCCCSCC#N)C(C)C)cc1 182058814 QXVVQBTZQSZLKL-INIZCTEOSA-N 292.448 3.629 30 20 CHED C[C@@H](O)c1ccc(CNc2cc(Cl)ccc2C#N)cc1 180430335 DZLDBINLQJHWQG-LLVKDONJSA-N 286.762 3.877 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2cc(C)ccc2C)s1 76139134 LCSVLWGDIGMMGD-UHFFFAOYSA-N 298.411 3.980 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H](C)CC1CCCCC1 72565007 PEYJEWVRDXKRCJ-ZIAGYGMSSA-N 264.413 3.601 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1ccccc1C(F)(F)F 120644190 YBHXOYSGCVWWJY-BQYQJAHWSA-N 294.276 3.643 30 20 CHED CC[C@@H](C(=O)Nc1ccc(F)cc1C#N)c1ccccc1 126512671 GUYNEZSJXYPCHK-OAHLLOKOSA-N 282.318 3.830 30 20 CHED C=CCCCC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 189600478 OYRIJUMSIYDPRP-IRXDYDNUSA-N 271.404 3.870 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCC(C)(C)C 505448209 WGQQEQZZIUQZIB-UHFFFAOYSA-N 274.408 3.820 30 20 CHED CCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1OC 185734409 BJZRCYMCAHMOQQ-CHWSQXEVSA-N 274.364 3.588 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1ccc(Cl)cc1Cl 417622897 HWBUJFKPNNYLCU-NSHDSACASA-N 288.174 3.502 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CC(C)(C)Oc2ccc(N)cc21 415034023 KPTNIANVVYENEJ-IUODEOHRSA-N 274.408 3.815 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1nccn1CC 414299291 KNCYENIHJLDKIN-DOTOQJQBSA-N 283.419 3.741 30 20 CHED C=CCCOCCCCC(=O)N1[C@H](C)CCC1(C)C 411093145 WJWUVXVNOBDXGB-CQSZACIVSA-N 267.413 3.539 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCCCCC1 419619230 XXSFHIOKYUVDPY-KRWDZBQOSA-N 297.402 3.521 30 20 CHED CN(C(=O)NCCCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 413435161 GVDTWJWSBJWNHU-SJORKVTESA-N 299.418 3.658 30 20 CHED CCCC/C(N)=N/OCc1nc(-c2cccs2)oc1C 121094984 KLRUKEIRUZRITM-UHFFFAOYSA-N 293.392 3.691 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cnc(C#N)c(Cl)c1 411034962 TYKAAVPYUZHXAV-VIFPVBQESA-N 279.771 3.617 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Cc1ccc(Cl)cc1 180387479 QLVXTSMITBKRJE-GFCCVEGCSA-N 265.784 3.553 30 20 CHED CC(C)(C)CCC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416096126 HLWWBFXZKKOXJR-INIZCTEOSA-N 284.403 3.878 30 20 CHED C=C(C)CN(C)C(=O)C(C)(C)c1cccc(Cl)c1 180436046 WFBYUPPJXQORLE-UHFFFAOYSA-N 265.784 3.652 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1NCCCC 183603244 AUQLFASXTHVZHI-UHFFFAOYSA-N 260.381 3.547 30 20 CHED N#CCc1ccc(NC(=O)c2nccc3ccccc23)cc1 316085200 HEXLZYZCIAEYHK-UHFFFAOYSA-N 287.322 3.553 30 20 CHED N#Cc1ccc(CN2CCCc3ccc(F)cc32)s1 507848910 BJKALFSIUYQNBJ-UHFFFAOYSA-N 272.348 3.712 30 20 CHED C[C@H](C#N)N(C)C(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 410884150 QAVOKZQHDQUWAZ-CYBMUJFWSA-N 286.419 3.632 30 20 CHED N#CC1(CSCCCOc2ccccc2)CCC1 419353372 CBXDMNVHRJOCMT-UHFFFAOYSA-N 261.390 3.883 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)c1ccccc1C 73982020 GZEAPSSIQJFCDG-UHFFFAOYSA-N 292.382 3.852 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(O)c2)c(C)s1 213707904 CDNLARREYJSBNP-SREVYHEPSA-N 258.342 3.967 30 20 CHED C=CC[C@H](CC)NCc1csc(Br)c1 379532981 JVOWVNARUYRUSK-JTQLQIEISA-N 274.227 3.955 30 20 CHED CCCNC(=O)CCCS[C@H](C)c1cccc(C#N)c1 419468032 ULQXGCDLODWCID-CYBMUJFWSA-N 290.432 3.659 30 20 CHED CCOC1CC(CSCCCC(C)(C)C#N)C1 507123244 XXJKPZSSZZVZHB-UHFFFAOYSA-N 255.427 3.865 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)[C@H](c2ccccc2)CO1 130936058 LXHYOFZWZLCQLT-DYVFJYSZSA-N 298.411 3.582 30 20 CHED CN(CCC#N)CC/C=C/c1ccc(Br)cc1 83219158 TZGABBZFNMSZGT-GORDUTHDSA-N 293.208 3.698 30 20 CHED CCC(C#N)(CC)C(=O)NCc1c(C)cc(C)cc1C 527846823 YYLQHRFQVATLTR-UHFFFAOYSA-N 272.392 3.558 30 20 CHED COc1ccc([C@@H](C)CC(=O)Nc2ccc(C#N)cc2)cc1 40643348 NHMRPKGZASCIJX-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)cc1C 136180353 FIKULKSGYONVNW-CYBMUJFWSA-N 250.729 3.527 30 20 CHED N#Cc1cccc(C2(/C(O)=N/CC3(C4CC4)CC3)CC2)c1 328653680 LECJAYPLQWSNKQ-UHFFFAOYSA-N 280.371 3.737 30 20 CHED N#Cc1cccc(C/N=C(/O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 329292791 RGYPXTGMANYHEX-YESZJQIVSA-N 297.402 3.531 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N(CCC#N)c1ccc(F)cc1 519575449 XVJFEUDJVYTFCH-KGLIPLIRSA-N 288.366 3.899 30 20 CHED Cc1nnc(N=C(O)C[C@H]2CCC[C@H](C)C2)n1C1CC1 329084951 TYTHSQKBBDWHHC-JQWIXIFHSA-N 276.384 3.726 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O 134928725 ARKIVHWKERXDOJ-SFYZADRCSA-N 288.160 3.519 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)N[C@@H]1CCC[C@H]1c1ccccc1 329318474 DKACJJUHZVNWCJ-LUKYLMHMSA-N 297.402 3.519 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)CC1 517453374 TWWOJTPZZPVPBK-CYBMUJFWSA-N 293.794 3.594 30 20 CHED Cc1ccccc1Cc1noc(CSCCCC#N)n1 190966000 ZJNJIOJZGAYTAF-UHFFFAOYSA-N 287.388 3.506 30 20 CHED Cn1cc(CN2CCCCC[C@H]2c2ccco2)cc1C#N 191368777 VMFGPMODYWMQAI-INIZCTEOSA-N 283.375 3.607 30 20 CHED N#CCSCCCN[C@H]1CCC[C@@H]1c1ccccc1 133466203 UZNJNCBAUBJDML-CVEARBPZSA-N 274.433 3.559 30 20 CHED C=CCCOC(=O)c1ccc2ccc(Cl)cc2n1 83939091 BFUVTHVBJFIZBZ-UHFFFAOYSA-N 261.708 3.621 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccccc1Cl 424532953 YBMOYGAAKOWDDZ-UHFFFAOYSA-N 251.757 3.559 30 20 CHED C=CCN(CCC#N)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 428853279 WLOUMGATQSHPJS-AWEZNQCLSA-N 296.374 3.508 30 20 CHED CCCCCCCCCN(C)C(=O)NC1CCOCC1 194159292 DEVKAWNARQLULQ-UHFFFAOYSA-N 284.444 3.557 30 20 CHED C[C@H]1c2cccn2CCN1CC#Cc1ccc(Cl)cc1 426366447 QTAKJRYSBQOKRT-AWEZNQCLSA-N 284.790 3.570 30 20 CHED N#CCc1cccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1 334980738 BOOQQEGPVKZGMW-GDBMZVCRSA-N 283.375 3.549 30 20 CHED CCOc1cc(C)ccc1CN[C@H]1CCC[C@@H](C#N)C1 192952403 YMFACWYPEUBGNP-ZBFHGGJFSA-N 272.392 3.566 30 20 CHED CC(F)(F)c1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 429688245 WOQINBWXJOMGQM-CYBMUJFWSA-N 286.281 3.683 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc(C(C)(F)F)cc2)no1 334667773 GWHKCCNMJFLCKZ-PSLIRLAXSA-N 289.285 3.649 30 20 CHED Cc1noc(-c2ccccc2)c1N=C(O)N1C[C@H]2CCC[C@@H]21 330055617 UREAZQGPGDSYSB-KGLIPLIRSA-N 297.358 3.680 30 20 CHED C#CCCCC(=O)N(CC)[C@H](CC)Cc1ccccc1 192386841 FJCZTCJLQVISMD-QGZVFWFLSA-N 271.404 3.660 30 20 CHED CC[C@@H](C)CNCc1ccc(OC)c(O[C@@H](C#N)CC)c1 93075180 AAAKKAWXXFTSSP-UKRRQHHQSA-N 290.407 3.512 30 20 CHED C=C(C)COc1cc(CN[C@@H]2CCC[C@H]2C)ccc1OC 237150705 AHTIMUOXTVCVBC-GDBMZVCRSA-N 289.419 3.928 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cncc(F)c1 335906359 XEMDUHZFSNBRJW-XIKOKIGWSA-N 295.361 3.821 30 20 CHED CC(C)[C@H](C#N)/N=C(/O)c1cccc(CN2CCCCC2)c1 331305963 AYNWBXVPSFNZNW-KRWDZBQOSA-N 299.418 3.525 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 331052334 IZLJCGKYNKTEFN-CVEARBPZSA-N 284.403 3.769 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)C1CCCCC1 512626422 XJIBHDANAGSHTN-UKRRQHHQSA-N 266.429 3.951 30 20 CHED C=C(Cl)CN(C)Cc1cc(Cl)ccc1OC 96982401 DOEXXWCRBHHONN-UHFFFAOYSA-N 260.164 3.533 30 20 CHED COc1cc(F)c(N/C(O)=N/[C@H]2CC[C@H](C)CC2)cc1F 330975588 HHDKGPKAXNVPJY-MGCOHNPYSA-N 298.333 3.878 30 20 CHED C=CCC(C)(C)CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 432138256 IPIKBHINAYBDHD-UHFFFAOYSA-N 276.336 3.812 30 20 CHED CC[C@@]1(C)CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 438850720 NBLXXJVTAXJHRU-AEFFLSMTSA-N 299.418 3.863 30 20 CHED Cc1nsc(NC[C@H](c2ccccc2)C2CC2)c1C#N 431483955 KOYWTQUYTYBKED-OAHLLOKOSA-N 283.400 3.929 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(-c2cccs2)c1 336249560 RKMKNZVLAGHVNK-ZBEGNZNMSA-N 282.368 3.903 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(F)cc(F)c1OC 433261240 VLTXNTCXTKRJFX-UHFFFAOYSA-N 298.333 3.697 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(Cl)c2F)c(F)c1 1124276511 LWPWFDHMJMDNLW-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1ccnc(NC(=O)c2ccc(-c3cccs3)o2)c1 436013260 YEHGGXAJDSMVAF-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C[C@@H]1CCC[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 341448953 FJYQSWVCTXYVQE-HYVNUMGLSA-N 299.418 3.767 30 20 CHED C=CCC1(NC(=O)NC2C[C@H](C)O[C@@H](C)C2)CCCCC1 521566527 WRAUBTZZGSFRES-KBPBESRZSA-N 294.439 3.521 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N(CC)CCC#N 344190540 STJAHMZJJOQNGC-OAHLLOKOSA-N 264.413 3.745 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(CC)cc1 436286177 RQXDLFWUGZJPRK-JLSDUUJJSA-N 273.420 3.881 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCCc3ccc(F)cc32)n1 343032172 FBBIVHKHDRHPSM-INIZCTEOSA-N 281.334 3.890 30 20 CHED CC(C)(CCC#N)CNC/C=C\c1ccc(F)c(F)c1 342278239 CPTAMEKECNLKHE-HYXAFXHYSA-N 278.346 3.898 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C(C)=O)c(C)c1 439428314 FNJGPAPXKIGPSE-CYBMUJFWSA-N 274.364 3.674 30 20 CHED C=CCCOCCCCC(=O)Nc1c(C)noc1C1CC1 346033005 JCGLRPPMTRQDMN-UHFFFAOYSA-N 292.379 3.562 30 20 CHED CCN(CCC#N)[C@@H](C)c1ccccc1Br 346676137 XQGRVHCNEMWYLA-NSHDSACASA-N 281.197 3.746 30 20 CHED CC(C)CC1(CNC(=O)NCC2(CC#N)CC2)CCCC1 430846764 IVMVQSLPZIMVAI-UHFFFAOYSA-N 291.439 3.586 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H](c2nc3ccccc3o2)C1 602437213 FOZJVOCDAMVKFR-HUUCEWRRSA-N 297.402 3.947 30 20 CHED CC[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 246664082 HJQSGZQVYHVZPP-AGIUHOORSA-N 297.185 3.515 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)CCCC(F)(F)F 602634701 OGJBKSZNDBQHTK-QWRGUYRKSA-N 250.308 3.637 30 20 CHED C=CCC[C@H](O)CN[C@@H](CC(C)C)c1ccccc1 341052996 FXQKCTXOPRJZTG-IRXDYDNUSA-N 261.409 3.691 30 20 CHED CC[C@@H](CC#N)NCc1ccc(F)c(Cl)c1Cl 432915005 CJCNZENTYIUENM-VIFPVBQESA-N 275.154 3.914 30 20 CHED N#Cc1ccccc1/C=C1/CCOc2ccccc2C1=O 254925926 CNFWVPOGQMACGO-KAMYIIQDSA-N 275.307 3.607 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N(CC#N)c2ccccc2)C1(C)C 604517865 VLHPGFHSXHCJAZ-HZPDHXFCSA-N 282.387 3.782 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@@H]1c1ccccc1 436307793 LLAIKLDQXLUVHA-YRXWBPOGSA-N 285.431 3.894 30 20 CHED CCCC[C@@H](COC)N[C@@H]1CCCc2cc(C#N)ccc21 341698410 PLBMTOSFVXONKB-FUHWJXTLSA-N 286.419 3.730 30 20 CHED COc1ccc(C)cc1CSc1nc(C)nc(C)c1C#N 600823082 LOAOJLFGXXYHDU-UHFFFAOYSA-N 299.399 3.574 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(C)c(O)c1 438756774 QMFBMNDXUHUVLE-UHFFFAOYSA-N 283.327 3.518 30 20 CHED C[C@@H](CC(=O)N(C)c1ccc(C#N)cc1)c1cccc(F)c1 439944158 SECGWYBXAMAQHX-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED CC(C)CC1(C)CCN(c2ccc(C#N)nc2)CC1 341041356 JRLXZNVTHKBNDT-UHFFFAOYSA-N 257.381 3.606 30 20 CHED CCC[C@H](C)NCc1ccc(OC)c(OCCCC#N)c1 604512440 PERQQGRFUHRLEY-AWEZNQCLSA-N 290.407 3.656 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@@H](C)c1ccc(CC)cc1 609990199 HCHYTPJXJZTEBO-CJNGLKHVSA-N 272.392 3.551 30 20 CHED Cc1ncc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)s1 601297495 AQWKJBIJAJELAH-ZJUUUORDSA-N 289.379 3.874 30 20 CHED Cc1csc(NC(=O)C2C(C)(C)C2(C)C)c1C#N 344891053 JFTVKZCQCKDWSE-UHFFFAOYSA-N 262.378 3.549 30 20 CHED C=CCCCC[C@H](C)N[C@@H](CO)c1cccc(F)c1 449145265 WQSDKIGTAXWSDS-BBRMVZONSA-N 265.372 3.584 30 20 CHED N#CCC1(CN2CC=C(c3ccc(F)cc3)CC2)CC1 602761036 UQCLGISKDOSEFG-UHFFFAOYSA-N 270.351 3.609 30 20 CHED C=CCCCC[C@H](C)NC[C@@H](c1ccccc1)c1nc[nH]n1 449670653 QFNGNCLJQKNFMC-RDJZCZTQSA-N 298.434 3.661 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(C)(C(C)C)CC1 442935226 KNJRQZRRZVFZET-HNNXBMFYSA-N 251.414 3.873 30 20 CHED CC[C@H](CCc1ccccc1)NC[C@H](C)CCC#N 602719300 AYDJPGFTCUOORI-NVXWUHKLSA-N 258.409 3.927 30 20 CHED CCn1c(S[C@@H](C#N)C2CC2)nnc1-c1ccc(C)cc1 601080036 GSSJNMCLLSSHMW-AWEZNQCLSA-N 298.415 3.668 30 20 CHED COc1cccc(C(C)(C)CNC[C@H](C)CCC#N)c1 602572596 RLRRTNDOGWTSLC-CQSZACIVSA-N 274.408 3.502 30 20 CHED N#Cc1ccc(CNc2nccc3ccc(F)cc23)cc1 354341385 SYVYFAMJHFRAPO-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)[C@]3(C#N)C[C@H]3C)ccc21 448806861 WPRGRGPYDJQACX-ACJLOTCBSA-N 295.386 3.786 30 20 CHED CC(C)c1cnc(SCc2ccc(C#N)cc2)[nH]1 600584052 JFIUNROFLKDLLM-UHFFFAOYSA-N 257.362 3.697 30 20 CHED C[C@@H]1CC[C@@H](N(C)C(=O)C[C@@H](CC#N)c2ccccc2)C1 357147572 NHGQKCPVZZRIFA-DJIMGWMZSA-N 284.403 3.721 30 20 CHED Cc1cc([C@H](C)NC(=O)NCC(C)(C)CCC#N)c(C)o1 352339651 HAQIWFXWXPIVFD-LBPRGKRZSA-N 291.395 3.587 30 20 CHED N#C[C@H]1CC[C@@H](N2CCc3ccc(C(F)(F)F)cc3C2)C1 602928480 OGBZURZFKITSMU-XHDPSFHLSA-N 294.320 3.756 30 20 CHED Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(CC#N)C1CC1 601016016 RFKFNVJUQQPDEU-AWEZNQCLSA-N 299.418 3.580 30 20 CHED CC(C)CC1(CNCc2cccc(C#N)c2)CCC1 532046197 UNYNCWAQQFDGFE-UHFFFAOYSA-N 256.393 3.864 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(CC)c(C)c1)OCC 537691926 DZRNRNYBWVOORB-MRXNPFEDSA-N 275.392 3.867 30 20 CHED C=CCCCCCN(C)Cc1cnc2cccc(C)n12 536668932 SCNSLFNWGYJSHW-UHFFFAOYSA-N 271.408 3.821 30 20 CHED N#Cc1csc(CN2CC(c3cccc(Cl)c3)C2)c1 449558758 ZSHSBNDLYKGWJU-UHFFFAOYSA-N 288.803 3.873 30 20 CHED C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CC[C@H]1C 356635428 PETZRBJGBWFLPH-INMHGKMJSA-N 284.403 3.578 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc(NC(N)=O)c1 449047611 RNDKNLZDGQKWNQ-GFCCVEGCSA-N 261.369 3.724 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1cccc(N2CCCC2)c1 268024408 IVEJZHWONAFNJF-CQSZACIVSA-N 292.386 3.727 30 20 CHED C[C@@H](CCc1ccccc1)CN1CCC[C@](C)(C#N)C1 612406830 VCZHBYXAADOGSQ-FUHWJXTLSA-N 270.420 3.881 30 20 CHED CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)o1 445265691 VVFMPLXKYOJDCK-UHFFFAOYSA-N 296.326 3.536 30 20 CHED C=CCC[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C1CC1 358257530 UPQKIQCBONPDTQ-QKMWGZLOSA-N 291.460 3.819 30 20 CHED CC[C@@H]1CN(Cc2ccc(C#N)cc2)c2ccccc2O1 441367211 PZXHNOYVIUEFLX-MRXNPFEDSA-N 278.355 3.736 30 20 CHED C=CCOc1cccc(CN2CCC(OC(C)C)CC2)c1 534343110 XRJOKRYSLZWUFX-UHFFFAOYSA-N 289.419 3.641 30 20 CHED C[C@@H](Cc1ccsc1)NCc1ccc(C#N)c(Cl)c1 619755583 MBFHKDPEVWWETI-NSHDSACASA-N 290.819 3.994 30 20 CHED C=CCC1(C(=O)N(C)C[C@@H]2CCCC[C@H]2O)CCCCC1 450467609 JHQOBOOQADSVHD-JKSUJKDBSA-N 293.451 3.523 30 20 CHED C=C(CC)CNC(=O)N(C)Cc1ccc(F)c(Cl)c1 455519070 HPMSVUNAABDAMR-UHFFFAOYSA-N 284.762 3.587 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(-n2cccc2)c1 361951982 HRIVUETZPGYABC-GOSISDBHSA-N 295.386 3.535 30 20 CHED C=CCC1(C(=O)NC2CC(C)(F)C2)CCCCC1 452276080 KUEIBJVDHMKQHH-UHFFFAOYSA-N 253.361 3.520 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(c2cccc(C#N)n2)C1 535128447 IADWUKKGUUUZOE-LRDDRELGSA-N 281.334 3.680 30 20 CHED Cc1ccncc1[C@@H](C)NCc1ccc(Cl)cc1C#N 614182380 NRBWFJCBBHGFQP-GFCCVEGCSA-N 285.778 3.766 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cnc(C2CC2)s1 618741523 FHWZHMJPZIQHHD-MRXNPFEDSA-N 295.411 3.669 30 20 CHED C[C@@H](c1nc2ccccc2o1)N1CCC[C@](C)(C#N)C1 612162774 MKHQTAFMZCPBNP-BLLLJJGKSA-N 269.348 3.514 30 20 CHED N#CCCCNC(=O)Nc1cccc(CCC(F)(F)F)c1 273307913 XEUYOKAITDMTCX-UHFFFAOYSA-N 299.296 3.607 30 20 CHED C=CC(C)(C)C(=O)Nc1nc(C2CCC2)cs1 451214756 XWRONOYVFIZZGU-UHFFFAOYSA-N 250.367 3.561 30 20 CHED C=CCCN(C)C(=O)c1ccccc1NCCCC 276526354 UELQSGQNGOFQLO-UHFFFAOYSA-N 260.381 3.547 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(F)c(C#N)c1)C1CC1 278641556 NZLIFSXXAMTAPD-NWDGAFQWSA-N 288.366 3.737 30 20 CHED C[C@@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 455199263 VKWJAHYGASFFLA-INTQDDNPSA-N 297.185 3.515 30 20 CHED CCSCc1ccc(NC(=O)N[C@@H](CC)CC#N)cc1 455858120 KPNSSCSDNFYVFO-ZDUSSCGKSA-N 291.420 3.753 30 20 CHED CC(C)C[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)CCO1 272022407 NKKJNAXQJVYGLA-BMGDILEWSA-N 286.419 3.803 30 20 CHED C=C(C)[C@@H](NCc1cc(C)no1)c1ccc(F)c(F)c1 274920787 YZMPUXWFPHYOMA-OAHLLOKOSA-N 278.302 3.668 30 20 CHED CC(C)[C@H]1C[C@H](Nc2ccc(CC#N)cc2)CS1 277388192 YBQBVQAYBOVNBS-LSDHHAIUSA-N 260.406 3.695 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCO[C@H](c2ccccc2)C1 275027894 RNFGYAQSVLUQNG-KXBFYZLASA-N 292.382 3.693 30 20 CHED Cc1cc(C#N)cc(N2CCS[C@H](c3ccccc3)C2)n1 376407584 MUGXJEAACZELBL-INIZCTEOSA-N 295.411 3.556 30 20 CHED C=CCC[C@H](C)Nc1ccc(-n2nnnc2C(C)C)c(C)c1 542692648 DTQCQENIMFUUCA-AWEZNQCLSA-N 299.422 3.861 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(O[C@@H](C)CC)cc1 465153459 SHINUOJDUSYJJI-NEPJUHHUSA-N 262.353 3.560 30 20 CHED C=CC[C@@H]1N(Cc2nc(C)c(C)[nH]2)CCCC1(C)C 628253083 SSLRBUNODDAXFF-AWEZNQCLSA-N 261.413 3.593 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(CC#Cc2ccc(F)cc2)C1 373579137 CAOKJEHKNOWOPU-BEFAXECRSA-N 294.373 3.655 30 20 CHED C=CCN(C(=O)CSc1ccccc1OC)C(C)(C)C 622944877 IPPYGNFCWDUWFU-UHFFFAOYSA-N 293.432 3.600 30 20 CHED Cc1cc(F)cc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 462243133 AOMVGCIIVOPQOT-GFCCVEGCSA-N 282.318 3.748 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1oc2ccccc2c1C 464749690 FCHAIONVHXFIHK-CMPLNLGQSA-N 272.348 3.676 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C)cc1 280916292 SSCCBIUYFVVWJB-PVAVHDDUSA-N 259.393 3.627 30 20 CHED C=CCOc1cccc(CN2CCC[C@@H]2c2cc(C)on2)c1 371391519 BAPBBNMXVWPCJI-GOSISDBHSA-N 298.386 3.885 30 20 CHED C#CCC(C)(C)c1nc(Cc2c[nH]c3cccc(C)c23)no1 289061925 GHQIVHYAIVNWMB-UHFFFAOYSA-N 293.370 3.751 30 20 CHED Cc1cc(Cl)cc(CN2CCC(CC#N)CC2)c1 552161307 DLEBTHWWYGTDEI-UHFFFAOYSA-N 262.784 3.774 30 20 CHED C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)C(F)(F)F 463417191 VNSXHJKOMQRJTI-VIFPVBQESA-N 284.281 3.625 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F 551240296 ITZALFQYFIHJST-LBPRGKRZSA-N 260.356 3.950 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3cccnc3c2)C1 633620028 ZAXDHHWFFPXMOY-CQSZACIVSA-N 280.371 3.663 30 20 CHED C=C[C@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 465118891 GKULWUZIQAVAGF-NSHDSACASA-N 297.320 3.818 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC1(c2cccc(C#N)c2)CC1 551573640 XJMNCVKMTJUNNT-JKIFEVAISA-N 268.404 3.962 30 20 CHED C[C@H]1CCCN([C@H](C)CNc2c(Cl)cccc2C#N)C1 462781264 XRXBBBGOASOSCL-QWHCGFSZSA-N 291.826 3.744 30 20 CHED C=CCC[C@@H](NCC1(C)CCN(C)CC1)c1ccco1 285917935 CGSYMGIEPFAMKS-OAHLLOKOSA-N 276.424 3.608 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(C(C)(C)C)s1 468015077 AZDLASDIGXSKCW-AWEZNQCLSA-N 266.410 3.981 30 20 CHED C#CC[C@@H](NCc1cn(C(C)C)nc1C)c1ccccc1 281472865 UWALKPUBINLUTR-GOSISDBHSA-N 281.403 3.627 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ncc(-c2ccccc2)o1 281083456 OCJYPLRBLCXXNS-OAHLLOKOSA-N 298.386 3.745 30 20 CHED COc1ccc(Br)c(OCCC(C)(C)C#N)c1 281949427 PXNAOOYYPLKIJN-UHFFFAOYSA-N 298.180 3.776 30 20 CHED CC(C)(C#N)C(=O)Nc1cc(Cl)c(Cl)cc1F 281083513 OEDAVOPUSGUAKZ-UHFFFAOYSA-N 275.110 3.621 30 20 CHED N#CCc1ccc(NC(=O)c2ccc3c(c2)CCC=C3)cc1 551659723 MUHBNMRCFLQHMO-UHFFFAOYSA-N 288.350 3.964 30 20 CHED CC[C@H]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)C1 551529716 FZVCVFSJYUKGEA-LBPRGKRZSA-N 298.411 3.954 30 20 CHED C#CCCCCNC(=O)Nc1c(F)cccc1SCC 290142986 PABKGFBIOICDKR-UHFFFAOYSA-N 294.395 3.863 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(CCC#N)Cc1cccnc1 294638390 GQFINEBXSDHWOX-IRXDYDNUSA-N 299.418 3.540 30 20 CHED C=CCCCCNC(=O)CCSc1ccccc1 471679922 QVFWYXPKIIURJX-UHFFFAOYSA-N 263.406 3.641 30 20 CHED Cc1cccc2c1CCC2=NNc1nccnc1C1CCC1 807994224 NJSQDJLLAFPWSG-UHFFFAOYSA-N 292.386 3.815 30 20 CHED CC#CC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 801141128 FHAFWXGJYFTAEU-KRWDZBQOSA-N 297.785 3.763 30 20 CHED N#CCCC1CCN(Cc2ccn(C3CCCC3)n2)CC1 399322973 IWZAGUZVAKUJSX-UHFFFAOYSA-N 286.423 3.514 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 397626549 SGJIOGCGUMJOSE-LUKYLMHMSA-N 288.435 3.745 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)N[C@H](C)c1ccc(C#N)cc1 477767826 QGDNJWCOBJVFHB-OEUWWYETSA-N 299.418 3.743 30 20 CHED CC#CC(=O)N(Cc1ccccc1)Cc1ccccc1C 801142198 CBRSLHKPKMRSRC-UHFFFAOYSA-N 277.367 3.547 30 20 CHED C=CCC[C@H](C)NC[C@@H]1CCN(c2ccccc2F)C1 291231323 OBYRFJQKMXMCNA-GJZGRUSLSA-N 276.399 3.596 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2CF)c1 296608281 WWUWRTUEIJBBKT-AWEZNQCLSA-N 292.354 3.607 30 20 CHED C=C(C)CCNCc1cscc1Br 395662476 ZKWYQQKOKLCAJU-UHFFFAOYSA-N 260.200 3.566 30 20 CHED N#CC1(C(=O)Nc2ccc(-c3ccccc3)cn2)CCCC1 299159407 SLUPIVYEFIYCLL-UHFFFAOYSA-N 291.354 3.771 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2ncnc3ccsc23)C1 800814767 XPIWPIMWSMVMPI-NXEZZACHSA-N 260.366 3.525 30 20 CHED N#Cc1csc(C(=O)Oc2cnc3ccc(F)cc3c2)c1 801024922 KSOLQPQCBZXWNF-UHFFFAOYSA-N 298.298 3.526 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(C#N)cc1 295771748 KURBZLVYDTTZIE-KRWDZBQOSA-N 270.376 3.599 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 563934356 BJSVDGKREDUHBP-STQMWFEESA-N 276.355 3.755 30 20 CHED C=CC(C)(C)C(=O)N1CC=C(c2cccc(C)c2)CC1 297548288 QNSUVHKQGVBCEV-UHFFFAOYSA-N 269.388 3.823 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1(C)C 567800009 PKQVREDZLHBSAZ-LLVKDONJSA-N 289.354 3.597 30 20 CHED N#C[C@H]1CC[C@H](Sc2nnc(Cc3cccs3)o2)C1 296005177 NDIVMTYBWOFPHT-ONGXEEELSA-N 291.401 3.506 30 20 CHED C[C@H](C#N)OCCSCc1ccc(Cl)cc1F 802750893 DTDIRKWOMVVBBE-SECBINFHSA-N 273.760 3.641 30 20 CHED Cc1c(NN=C[C@@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] 800811914 NUHKOXHNKVBPGA-ZYHUDNBSSA-N 261.325 3.737 30 20 CHED CC(C)[C@@H]1CN(Cc2ccc(C#N)cn2)c2ccccc21 566017349 OLTLBJRRUNJBFD-KRWDZBQOSA-N 277.371 3.713 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H]1CC[C@@H](F)C1 483140492 PPOVWUUYOSMOLJ-ZIAGYGMSSA-N 276.355 3.817 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCN(C(=O)C2CCCC2)C1 648476303 QXFXXLFPLNIZCE-RDJZCZTQSA-N 292.467 3.502 30 20 CHED C=CCOCCCC(=O)N1CCC[C@@H]1CCC1CCCC1 488270706 IRLBYYGUXJYCCP-QGZVFWFLSA-N 293.451 3.931 30 20 CHED C=C(C)CNC(=O)N[C@@H](CC)c1ccc(Cl)s1 488562686 SFYIBVVOMWHYLT-VIFPVBQESA-N 272.801 3.728 30 20 CHED C=C(C)COC(=O)[C@@H](C)c1cccc(Br)c1 812608403 LXSSJRFPRXTOES-JTQLQIEISA-N 283.165 3.672 30 20 CHED C=CCCCC(=O)Nc1ccc(C(=O)C2CCC2)cc1 489667903 QFTAYVJAZFQZPF-UHFFFAOYSA-N 271.360 3.964 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cccc(F)c1C#N 811687972 UKMUZVQNBOJTBV-MDZDMXLPSA-N 265.287 3.902 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCCCC(F)(F)F)c2c1 487723591 NWMXASOYDZLGBH-UHFFFAOYSA-N 293.292 3.591 30 20 CHED CC#CCCN[C@H](C)Cc1ccc(F)cc1Br 576028265 CGELRXJOUTTYEK-LLVKDONJSA-N 298.199 3.522 30 20 CHED CCC(CC)(CNCc1cc(C#N)n(C)c1)c1ccccc1 480343214 LSYYHPSMCXAJNI-UHFFFAOYSA-N 295.430 3.744 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1cccc(F)c1 814815415 XBOBLWHLLHQGKC-ZDUSSCGKSA-N 259.328 3.943 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 815633922 ZODQYGLWBLJTSE-GFCCVEGCSA-N 273.367 3.873 30 20 CHED CC[C@@](C)(C#N)NC(=O)C(CC(C)C)CC(C)C 571986012 JJGHHTIPJCLNHF-HNNXBMFYSA-N 252.402 3.503 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccc(F)c(C)c2)cc1 578898728 FIJXXBRBRANKNS-QGZVFWFLSA-N 296.345 3.691 30 20 CHED C=CC(C)(C)CNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 653091611 NNADUHGORRDPSQ-HNNXBMFYSA-N 286.419 3.991 30 20 CHED Cc1cccc(OCCN(C)[C@H](C)c2cccc(C#N)c2)c1 487664884 HDCFSOOAWJDRBD-MRXNPFEDSA-N 294.398 3.939 30 20 CHED C[C@H](NN=C[C@@H]1CCCC(C)(C)C1)c1ccncc1 819816908 RTMACOZPYOPKCE-UONOGXRCSA-N 259.397 3.934 30 20 CHED C=CCC(C)(C)c1noc(-c2ccccc2OC)n1 576722617 RCUIDMWMRQKCPR-UHFFFAOYSA-N 258.321 3.599 30 20 CHED C=CCC[C@@H](C(=O)NCCc1ccco1)c1ccccc1 487652404 NLHNHFIRFCNVHW-QGZVFWFLSA-N 283.371 3.688 30 20 CHED Cc1ccccc1Cn1ccc(-c2ccc(C#N)cc2)n1 728710692 APQZIXATVKMYMM-UHFFFAOYSA-N 273.339 3.779 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2cnc3ccccc3n2)o1 727256194 LUSODFFDPHJGHJ-YPMHNXCESA-N 292.342 3.792 30 20 CHED C#C[C@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 491819412 NVIXWOJYHQJOOE-VZAMPYOESA-N 277.795 3.560 30 20 CHED C#C[C@@H](NCc1cnc(-c2ccccc2F)s1)C(C)C 824363465 DWCURMHJRDZHSH-OAHLLOKOSA-N 288.391 3.697 30 20 CHED C=CCCC(=O)N1CCCSC1=Nc1ccccc1 726496729 HXMQKILASIJIMK-UHFFFAOYSA-N 274.389 3.606 30 20 CHED CCC/C=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 729349631 OLWIQSBVHIHJAW-VOTSOKGWSA-N 284.403 3.899 30 20 CHED Cc1cccc2c1C/C(=C/c1cccnc1Cl)C2=O 729150748 MEPPSLCOMZAQCQ-WQLSENKSSA-N 269.731 3.866 30 20 CHED C=CCCCCSCc1ccc(C(=O)NC)cc1 584770057 LDARTJBRXZHRDA-UHFFFAOYSA-N 263.406 3.636 30 20 CHED C=C[C@H]1CCCCN1c1cc(C(F)(F)F)ccn1 584796590 CECQOWDAUPAEFC-NSHDSACASA-N 256.271 3.645 30 20 CHED CC[C@@H](NCC(C)(C)CCOC)c1cccc(C#N)c1 902950782 IUMKGOAHOLSRGJ-MRXNPFEDSA-N 274.408 3.662 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 733758753 SXMPEWOCOZVQFX-KLHDSHLOSA-N 281.440 3.667 30 20 CHED C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C)C1 661379362 XHBCPIQZVRISOZ-JKSUJKDBSA-N 286.419 3.610 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(CCC#N)CC(C)C 734092635 WGJWNFSZVQDVIF-INIZCTEOSA-N 278.440 3.991 30 20 CHED C[C@@H]1CC[C@H](OC(=O)/C=C\c2ccccc2C#N)[C@H](C)C1 736029533 SGKVEBCXJAHPHQ-SKQLWMKHSA-N 283.371 3.939 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)c1ccc(C)o1 839892558 XMPBFQILXIHIEZ-RDJZCZTQSA-N 297.398 3.995 30 20 CHED CCn1cncc1/C=C1\C(=O)c2ccsc2S[C@H]1C 901478632 XEVRSWLYMKZGPG-TXEUWIOXSA-N 290.413 3.725 30 20 CHED N#CCCC1CCN(CCCCOc2ccccc2)CC1 583869636 BQLIKIMAOAJBJS-UHFFFAOYSA-N 286.419 3.861 30 20 CHED CC(C)(C=NNc1ccc(C(=O)O)c(Cl)c1)CCC#N 833451753 ZDBMIEWQYJXDOH-UHFFFAOYSA-N 293.754 3.766 30 20 CHED Cc1cc(C(=O)/C=C\c2cnn(C(C)C)c2)cs1 834447557 OMYDRRGNGYZBEF-PLNGDYQASA-N 260.362 3.730 30 20 CHED C=CCOC(=O)C1(c2cccs2)CCCCC1 738702580 MJHWMWDRMCQXNC-UHFFFAOYSA-N 250.363 3.679 30 20 CHED COc1ccc(C=NN[C@H](C)C(F)(F)F)c2ccccc12 834995841 LWKACVDLHMFITH-SNVBAGLBSA-N 296.292 3.723 30 20 CHED C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CCCCCC#N 588160453 SCRXQGBYHDEEEL-FUHWJXTLSA-N 298.430 3.940 30 20 CHED Cc1ccccc1S[C@@H](C(=O)O)c1ccc(C#N)cc1 738785300 NWGSSYBFGNLKGN-OAHLLOKOSA-N 283.352 3.785 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1ccccn1 731925098 YIGIHHIJOWJNOC-UHFFFAOYSA-N 253.349 3.811 30 20 CHED C=CCC1(c2nc([C@H](OCC)C(C)C)no2)CCC1 904123933 UMYXLUVNPWMJCB-GFCCVEGCSA-N 264.369 3.801 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 585817378 FEPASEWJMYSBAB-CQSZACIVSA-N 298.308 3.604 30 20 CHED CC[C@H](CC(=O)Nc1ccccc1CC#N)C(C)C 583405009 UPEPHJOLCFXGKT-CYBMUJFWSA-N 258.365 3.763 30 20 CHED CC1=C(C)CN(C(=O)Nc2scc(C)c2C#N)CC1 581202199 SPWGNUIJLYNCLN-UHFFFAOYSA-N 275.377 3.502 30 20 CHED CC(=NNc1cnnc2ccccc12)c1cccc(F)c1 733748197 LBIQRBFAEXMPAQ-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(N(C)CC)cc1 834894360 RNPHQAGNHIAPGD-QGTPRVQTSA-N 288.435 3.527 30 20 CHED Cc1cc(NN=C2CCC[C@H]2c2ccccc2)nc(C)n1 732528761 XQSPPZPXHKLWEZ-HNNXBMFYSA-N 280.375 3.829 30 20 CHED C=CCCCCCSCCc1cncc(C)n1 593196329 GEJVVTUIGGRXTH-UHFFFAOYSA-N 250.411 3.807 30 20 CHED Cc1cc(CNC(=O)CC2(C#N)CCCCC2)ccc1F 596695472 XQJWUADSSCXDEU-UHFFFAOYSA-N 288.366 3.615 30 20 CHED Cc1cc(-c2noc(CC3(C#N)CCCCC3)n2)c(C)o1 596594207 QKEDOTKEFJNOJC-UHFFFAOYSA-N 285.347 3.963 30 20 CHED CCCCC1CCC(C(=O)N(C)c2ccc(C#N)nc2)CC1 593273614 YQFURJGDHYBOIV-UHFFFAOYSA-N 299.418 3.913 30 20 CHED Cc1cc(Cl)cc(/C=C2/CCc3nn(C)cc3C2=O)c1 834438318 NYSYRBDYVZTSTN-GHXNOFRVSA-N 286.762 3.594 30 20 CHED C=CCCSCCN[C@H](C)c1ccc2c(c1)COC2 595058274 GDVYBPOPLRDYOQ-CYBMUJFWSA-N 277.433 3.677 30 20 CHED CCc1ccc(C(=O)/C=C/c2c(C)n[nH]c2C)s1 915988270 SRBRIUPRMGAQGS-VOTSOKGWSA-N 260.362 3.547 30 20 CHED C[C@@H](NC(=O)C1CCC2(CC1)CC2)c1ccc(C#N)cc1 596742139 RPLZILGVMVPFRE-CYBMUJFWSA-N 282.387 3.706 30 20 CHED Cc1ccccc1OCC(=O)O[C@H](C)c1ccc(C#N)cc1 748680809 UJUMLRFFWDVLQN-CQSZACIVSA-N 295.338 3.550 30 20 CHED C[C@]1(C(=O)OCC2(C#N)CCCC2)CCc2ccccc21 842756646 JUZRWMARRJBWGG-KRWDZBQOSA-N 283.371 3.518 30 20 CHED C[C@@H](C#N)N(CCOc1ccc2ccccc2c1)C1CC1 595715851 FTFSQAARUYHWKX-AWEZNQCLSA-N 280.371 3.595 30 20 CHED C[C@@H](NCCCC1CCC1)c1ccc(C#N)c(F)c1 595079668 GKFHNQWGQSBYOW-GFCCVEGCSA-N 260.356 3.928 30 20 CHED CC(C)[C@H](C#N)NC(=O)CCc1c(Cl)cccc1Cl 594000009 OHFGHQRFRBFITF-ZDUSSCGKSA-N 299.201 3.590 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN([C@H](C)CCC#N)CC3 591017577 HKTBCUMLCXOLRT-CYBMUJFWSA-N 267.376 3.527 30 20 CHED C=CCOc1cccnc1C(=O)Nc1ccc(C2CC2)cc1 678755707 YUBGCOBQMZEAFA-UHFFFAOYSA-N 294.354 3.776 30 20 CHED C[C@H](CCc1cccc(F)c1)C(=O)OCCCCC#N 744141249 SJSRMUPJGYQCOI-CYBMUJFWSA-N 277.339 3.631 30 20 CHED CCN(CC)c1ccc(C=NNCc2ccccc2)cc1 916343935 LALXSMACXPUCJW-UHFFFAOYSA-N 281.403 3.657 30 20 CHED C#C[C@H](OC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C)c1ccccc1 842363436 ITLKEYNGJTYPIG-UNEWFSDZSA-N 298.382 3.546 30 20 CHED Cc1cc(F)c2c(c1)CCCN2CCC(C)(C)C#N 741754014 FJXLLYAXUFNJSV-UHFFFAOYSA-N 260.356 3.827 30 20 CHED CC[C@H](C#N)Sc1nc2ccc(F)cc2s1 918932813 YKTUCWDARSIPEW-MRVPVSSYSA-N 252.339 3.830 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 593518348 XPBJXMHRNACMDD-BLLLJJGKSA-N 288.366 3.723 30 20 CHED CC(C)(C/N=C/c1ccccc1O)c1ccccc1F 749749003 SKORTAATHNYOGF-YBFXNURJSA-N 271.335 3.928 30 20 CHED COc1ccc(CN[C@H]2CCc3c(C)cccc32)cc1C#N 742370538 ZWBWBZKWJWFWLT-SFHVURJKSA-N 292.382 3.652 30 20 CHED COCCOCc1cccc(-c2cccc(C)c2C#N)c1 844231368 RFCLZNNFLFVBJG-UHFFFAOYSA-N 281.355 3.697 30 20 CHED N#Cc1cccc(C(=O)OCCCC2CCCC2)c1 744464308 MXTZIQJXHBZOCQ-UHFFFAOYSA-N 257.333 3.685 30 20 CHED N#CC1(c2ccc(-c3ccc(O)cc3)cc2)CCOCC1 596646373 KYTNVIVTKFNHSZ-UHFFFAOYSA-N 279.339 3.631 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)c2c[nH]c(C#N)c2)c(C)c1 846299199 NKTFJQKSZIVHGJ-UHFFFAOYSA-N 295.386 3.806 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 683788459 OIJVEMZHHRJUHE-LZWOXQAQSA-N 287.403 3.903 30 20 CHED C#CCCCNc1nc(-c2cccnc2)nc2ccccc12 742423097 WMYNBYMHTIRWPX-UHFFFAOYSA-N 288.354 3.517 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1cccs1 745623771 BKBFIZUDDJTGAO-UHFFFAOYSA-N 274.349 3.567 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccccc1C#N 748764806 NMJRMCVBPPWRBH-FVNWOWOISA-N 282.387 3.609 30 20 CHED CC(C)CCOc1ccccc1NC(=O)c1ccc(C#N)o1 847167148 LXYUSXZBHLTCNS-UHFFFAOYSA-N 298.342 3.828 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](C)c2ccc(C)o2)s1 744363230 RCGCJWDQAJVVGP-SNVBAGLBSA-N 288.372 3.826 30 20 CHED N#C[C@@H](C(=O)/C=C/C1CCCC1)c1nc2ccccc2o1 842694232 TUVIDOLAXZENII-LXKVQUBZSA-N 280.327 3.750 30 20 CHED C=CCOC(=O)CCCOc1cccc(Cl)c1Cl 921221880 HJBRQZZAWHRPSD-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C#CCCCC(=O)Nc1nnc(-c2ccc(C)cc2C)s1 758152256 NQJCYBQEUDJLCN-UHFFFAOYSA-N 299.399 3.564 30 20 CHED CC1CC(C#N)(C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)C1 758181983 AYKZSVHAWHARRH-NWPKHEMWSA-N 290.451 3.895 30 20 CHED CC(C)[C@@H](C#N)OC(=O)Cc1ccc(-c2ccccc2)cc1 751157354 HOUYHGCNTSGIGG-GOSISDBHSA-N 293.366 3.987 30 20 CHED C[C@@H]1CCCCN1N=Cc1c[nH]c2ccc(F)cc12 853379028 BWRJBLPXOFEOKL-LLVKDONJSA-N 259.328 3.515 30 20 CHED COc1ccc(F)cc1N[C@@H](C)CC(C)(C)C#N 925936187 LTRHUKVMMLSDCT-JTQLQIEISA-N 250.317 3.575 30 20 CHED Fc1ccccc1NN=Cc1coc(-c2ccccc2)n1 755627522 AOGQOXDGNBDRMN-UHFFFAOYSA-N 281.290 3.927 30 20 CHED CC(C)(CC/N=C/c1cccc(O)c1O)c1ccccc1 920177312 GBKLLIGJRTWXIT-CPNJWEJPSA-N 283.371 3.885 30 20 CHED Cc1ccc(-c2nnc([C@@H](C)ON=CC3CC3)o2)cc1 853735766 ZSZFDIZMMPRNNG-LLVKDONJSA-N 271.320 3.518 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1CCc2cc(F)ccc21 920177301 FVVLFNLZTYZNLG-RPJLVFAOSA-N 285.318 3.646 30 20 CHED CCC[C@H](C#N)NC(=O)/C(C)=C/c1cccc(Cl)c1 758949240 NRSGFHNXXHSQKP-BMGYJQCNSA-N 276.767 3.552 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(c3cccc(F)c3)CCC2)C1 926921425 DWFWYIIZTUAEIP-CZUORRHYSA-N 272.367 3.529 30 20 CHED COc1ccccc1C(C)=NNc1cc(C)ccc1F 759652393 IOVJVIXAFWKZAZ-UHFFFAOYSA-N 272.323 3.979 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 854170648 WOYNMENQFQJZCQ-AWEZNQCLSA-N 293.370 3.997 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)cc1 756270691 UQFRINQGSVTSGP-OQFOIZHKSA-N 281.286 3.602 30 20 CHED CCCCCCCNCc1ccc(N2CCCC2)nc1 758473381 IIDXVWOWDUNQLF-UHFFFAOYSA-N 275.440 3.742 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc2c(c1)CCN2C 751523192 MVMNREIYTFDGCL-NTMALXAHSA-N 277.367 3.883 30 20 CHED CC(C)(C)c1nc(C=Nn2cnc3ccccc32)cs1 920373104 QWPZZUOCYIJUPE-UHFFFAOYSA-N 284.388 3.673 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)[nH]1)c1ccc2ccccc2c1 752483264 LDGVLEGLSCAXSC-GFCCVEGCSA-N 290.322 3.958 30 20 CHED C#Cc1cccnc1N1CC[C@H](CSc2ccccc2)C1 853391008 WCISRTPUNJNDFP-HNNXBMFYSA-N 294.423 3.682 30 20 CHED C=C[C@H](CC)CC(=O)N1Cc2ccccc2C[C@@H]1C 933492172 DAVLOGCGOVLRJP-UONOGXRCSA-N 257.377 3.562 30 20 CHED Cc1ccc2oc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc2n1 851207680 GAHRRXOGRWXOFJ-NSHDSACASA-N 286.331 3.621 30 20 CHED C=CCC[C@@H](NCc1cc(Cl)cc(Cl)c1)C(=O)O 756391739 ZJEKXDGPZYULBV-GFCCVEGCSA-N 288.174 3.502 30 20 CHED C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1C#N)C1CC1 764270847 BBJHVHARCRWLRF-JTQLQIEISA-N 276.767 3.611 30 20 CHED C#CC[C@H](NC(=O)C[C@H](C)c1ccco1)c1ccccc1 860433493 GVFMEFHQGNOELY-HOCLYGCPSA-N 281.355 3.654 30 20 CHED C=C1CCN(C(=O)Nc2cscc2Cl)CC1 864252619 CIGZOMYXMCRXRU-UHFFFAOYSA-N 256.758 3.585 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@](C)(O)c1ccccc1Cl 765677192 LCBOGOZDQPUUQG-ZENOOKHLSA-N 281.827 3.738 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1ccc(F)c(Cl)c1 863179495 XQOLXKNQFIFULU-UHFFFAOYSA-N 298.745 3.912 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1sccc1OC 764433324 QUUOVXQIQZEAAU-VOTSOKGWSA-N 288.368 3.970 30 20 CHED CO[C@](C)(C1CC1)[C@@H](C)NCCCCC1(C#N)CCC1 930714630 BJDSRIZIWOXCTI-ZBFHGGJFSA-N 278.440 3.644 30 20 CHED C#CCCCSc1nnc2n(C(C)C)c3ccccc3n12 766742824 DCVQXXYEPAQOBL-UHFFFAOYSA-N 298.415 3.770 30 20 CHED C#CCCN(C[C@@H]1CCc2ccccc21)CC(F)(F)F 767898623 BSGAAUBSCJVJNK-AWEZNQCLSA-N 281.321 3.604 30 20 CHED N#Cc1cccc(OCCCON=Cc2ccccc2F)c1 763172017 CYHGAVJGYKXKDO-UHFFFAOYSA-N 298.317 3.517 30 20 CHED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccco1)c1nc(C2CC2)cs1 860844262 HEIIITJLJGKUDY-IJLUTSLNSA-N 298.367 3.593 30 20 CHED Cc1cc(/C=C2/Oc3cc(F)cc(F)c3C2=O)ccc1C#N 766492009 UHGRWAPMYXLKSN-PJQLUOCWSA-N 297.260 3.761 30 20 CHED CCCOc1ccc(N=Cc2cccc(O)c2O)cc1 768267526 ALUCKOKIWSIGRH-UHFFFAOYSA-N 271.316 3.637 30 20 CHED O=C1CCCN1N=Cc1ccc(F)c(-c2cccs2)c1 769593217 LLHOLCMIGGFJNV-UHFFFAOYSA-N 288.347 3.511 30 20 CHED CC(=NNCc1cnc2ccccc2c1)C1CCC1 764787568 DUWIMQCKRIGGBZ-UHFFFAOYSA-N 253.349 3.500 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCCc2sccc21 1116926053 KUOPORMIWXDCBG-UHFFFAOYSA-N 296.395 3.911 30 20 CHED COc1ccc(NN=Cc2cc(F)ccc2C)cc1 777889152 SVDIACZIFKTPAG-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CCCOc1ccc(CN2CCC(C)(C#N)CC2)cc1C 877182000 IQZQFFOROHLKPB-UHFFFAOYSA-N 286.419 3.910 30 20 CHED CCCCC[C@@H](CC)C(=O)Nc1cc(CC#N)ccn1 775777257 JKSMKVXXIKRDLT-CQSZACIVSA-N 273.380 3.693 30 20 CHED CCCCCCCN[C@H](C)[C@H]1CCCN(C(=O)OCC)C1 776823317 NXAKNEQVVNJYKI-CVEARBPZSA-N 298.471 3.803 30 20 CHED CCCOCc1ccccc1CNc1cccc(CC#N)n1 1116285432 FNWQWMROCNYDFA-UHFFFAOYSA-N 295.386 3.686 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1cnccc1C 771560109 NMMRYPWUPHXBID-UHFFFAOYSA-N 294.280 3.640 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ccc(OCC#N)cc2)C1 1119629378 PVVXRHBBZPOWBL-DZGCQCFKSA-N 276.405 3.675 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2nc(Cl)cs2)cc1F 776727307 VLYHZYXZEUNFDZ-ARJAWSKDSA-N 292.722 3.703 30 20 CHED C=CCCCCNC(=O)N(CCc1ccccc1)C1CC1 771376650 LNXLZKPBSUWHKR-UHFFFAOYSA-N 286.419 3.759 30 20 CHED C#CCCN1CCN([C@@H](C)c2cccc3ccccc23)CC1 776594521 KUDAZRAOWHQVKU-KRWDZBQOSA-N 292.426 3.542 30 20 CHED CC(C)CNN=Cc1ccc(-c2c(F)cccc2F)o1 771567650 QSXZHMGIXAQQOU-UHFFFAOYSA-N 278.302 3.804 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@H](O)C1 775525936 SEWUPCOXAHCITG-CVEARBPZSA-N 283.456 3.747 30 20 CHED COc1cc(/C=C2\COc3ccccc3C2=O)ccc1C 773126373 SSBRDCAWEPPYCG-NTEUORMPSA-N 280.323 3.662 30 20 CHED C=CCCCCNC(=O)/C=C(/C)Cc1ccccc1OC 770083749 ZBJZZVNSJRHGPB-PFONDFGASA-N 287.403 3.657 30 20 CHED CCC(CC)CNN=C1CCC2(CCOCC2)CC1 774465567 VRGAWCWSHCOOFM-UHFFFAOYSA-N 266.429 3.739 30 20 CHED CC[C@H](N[C@@H](C)c1ccc[nH]1)c1ccc(C#N)cc1 774267261 OARXPFJMOIXSGL-WFASDCNBSA-N 253.349 3.688 30 20 CHED CSCc1cccc(C/N=C\c2ccccc2O)c1 782194886 XXONIKODGIHJMT-BOPFTXTBSA-N 271.385 3.874 30 20 CHED C=C1CCC(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 887698688 XKLNNCHVMIFWST-UHFFFAOYSA-N 287.359 3.533 30 20 CHED C=C1CCC(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)CC1 889985204 CZXWZAAHWDXCRD-AWEZNQCLSA-N 295.382 3.840 30 20 CHED COc1cc(C(C)=NNc2nc3ccccc3s2)ccn1 782098623 UWSZVXFDTNMKKC-UHFFFAOYSA-N 298.371 3.536 30 20 CHED CC(C)c1cc(NCc2ccc(C#N)cn2)nc(C(C)C)n1 780612018 HGNTVQXWQKCTIC-UHFFFAOYSA-N 295.390 3.602 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc([S@@](C)(=O)=NC)c1 895736085 PLQWEOUPWRBOST-XEKQOVJPSA-N 280.437 3.786 30 20 CHED Fc1ccccc1NN=Cc1ccc2cnccc2c1 782185714 HQWQHBWLTWUQDV-UHFFFAOYSA-N 265.291 3.820 30 20 CHED COc1ccc(C(=O)OCC2(C#N)CCCCC2)c(C)c1 780486077 XOSHKIJWEYMDNB-UHFFFAOYSA-N 287.359 3.635 30 20 CHED CC(CCc1ccccc1F)=NN[C@@H]1CCOC(C)(C)C1 780252338 YBLXEQPIQDNPNE-OAHLLOKOSA-N 292.398 3.681 30 20 CHED Cc1cc2c(cc1N[C@@H](C)c1ccc(C#N)c(F)c1)OCO2 781424616 CBHBCUDNIAZVDP-NSHDSACASA-N 298.317 3.908 30 20 CHED C=CCC1(O)CCN(Cc2cccc(C(F)F)c2)CC1 886778809 VUJHQXGEOFAPNA-UHFFFAOYSA-N 281.346 3.527 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC[C@H]1CCc2ccccc21 1205650689 RCGZDFUGLBMIAW-YLJYHZDGSA-N 288.394 3.865 30 20 CHED CCCn1c(-c2c(C)noc2CC)nc2cc(C#N)ccc21 899259710 NYKFYPPZFVQCOA-UHFFFAOYSA-N 294.358 3.844 30 20 CHED C#C[C@@H](NC(=O)[C@@H](CCC=C)c1ccccc1)C(C)C 799046036 BELUEZPHPIGLFU-DLBZAZTESA-N 269.388 3.510 30 20 CHED Cc1ccnc(CON=Cc2ccccc2OC(F)F)c1 790487177 RRTQJIUSIRJLJB-UHFFFAOYSA-N 292.285 3.542 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1c(C)cc(C)cc1O 799865234 XPYVNLQWEANJAH-UHFFFAOYSA-N 298.342 3.543 30 20 CHED C/C(=C/Cl)CS[C@@H](C)C(=O)Nc1ccccc1C#N 797815442 SLFYFRSNLGFDOX-BRNRAETOSA-N 294.807 3.761 30 20 CHED Cc1cc(C(=O)/C=C\c2nccn2-c2ccccc2)oc1C 799895232 MMIBACDZVRDLSB-HJWRWDBZSA-N 292.338 3.978 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNc1ncccc1[N+](=O)[O-] 797401100 ALYFRHHZUHUUAN-WDEREUQCSA-N 276.340 3.604 30 20 CHED C=CCCCCC[C@H](C)NC[C@H](O)c1ccc(F)cc1 793525455 OKWYNFVZXKMXNH-YOEHRIQHSA-N 279.399 3.974 30 20 CHED CCCCCCCNc1ccc(C(=O)N(C)OC)cc1 795264371 PZRKJCZYURUQRF-UHFFFAOYSA-N 278.396 3.702 30 20 CHED c1ccc(NN=C2CCC[C@H]2c2ccccn2)cc1 794855853 BREDXGYVXYMTFY-AWEZNQCLSA-N 251.333 3.817 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1c(C)cnn1C)CS2 794714839 VNGZZBWTKPRFHV-NTUHNPAUSA-N 298.411 3.717 30 20 CHED Cc1nc2ccc(NC(=O)c3ccc(C)c(C#N)c3)cc2o1 799303263 JGVYOOATTXJAOT-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CC(C)c1ccoc1C(=O)OCc1ccccc1C#N 792599414 SWQUQZYFDCNEGP-UHFFFAOYSA-N 269.300 3.632 30 20 CHED CCC(=NNc1cccc(F)n1)c1ccc2c(c1)CCCO2 795006962 UYBJZUFLPGCTAN-UHFFFAOYSA-N 299.349 3.772 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(C(F)(F)F)cn1 796462982 JLGJPBOORSWKAR-UHFFFAOYSA-N 287.281 3.746 30 20 CHED C#C[C@H](NC(=O)N(Cc1ccccc1)CC1CCC1)C(C)C 798552042 FGXUPYMKAZCNKI-SFHVURJKSA-N 298.430 3.656 30 20 CHED COc1cc(CNc2cccc(F)c2C#N)ccc1C 48894244 SZKJQXUYMMANNT-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1ccc(C)c(CNc2ccc(F)c(C#N)c2)c1 51636244 NVJCVLMZBCQNES-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(C)CN(Cc1ccccc1F)c1cccc(C#N)n1 1162303128 KUEXBRIVAUOUHJ-UHFFFAOYSA-N 283.350 3.755 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H](C(C)C)CC1 1167424169 CVJARFBPRZMIQJ-INIZCTEOSA-N 286.419 3.825 30 20 CHED CCN(Cc1csc(C)n1)[C@H](C)c1ccc(C#N)cc1 76720331 JCIRCHTXIWQNLP-GFCCVEGCSA-N 285.416 3.906 30 20 CHED CC(=NOC(C)(C)C)c1ccccc1Br 1319584005 RZTDBUVSJBJZIS-UHFFFAOYSA-N 270.170 3.988 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1cc(C)ccc1OC 1317913258 QEAAWJLKDRHJBJ-VURMDHGXSA-N 298.338 3.614 30 20 CHED N#Cc1cc(F)ccc1NC1CC(OCc2ccccc2)C1 547327141 UZGRNQOCLZWPLX-UHFFFAOYSA-N 296.345 3.857 30 20 CHED CC1=C(C)C[C@@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 584352047 DSQQBAVMDKQYOG-GJZGRUSLSA-N 274.408 3.664 30 20 CHED Cc1ccc(C)c(C=NNc2ccc(C(C)(C)C)nn2)c1 1321922795 FSXUBUPDMMWOQK-UHFFFAOYSA-N 282.391 3.837 30 20 CHED C=CCC(C)(C)c1nnc(COc2ccccc2OC)o1 1327009148 XHQLPXVYFQRMMY-UHFFFAOYSA-N 288.347 3.511 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1 171517041 FWVANUQLZZZTRH-UHFFFAOYSA-N 272.254 3.748 30 20 CHED CC#CCCCc1nnc(-c2cn(C)c3ccccc23)o1 1329309072 HCBROPHNHAYTQZ-UHFFFAOYSA-N 279.343 3.574 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1ccnc(F)c1 1325840951 DJMMSHZZRBOOEN-ALCCZGGFSA-N 267.303 3.606 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@@H](C#N)C2CCCCC2)CC1 592614503 KFMDCYIYOBHFRN-CVEARBPZSA-N 274.408 3.712 30 20 CHED CC(C)c1ocnc1COc1cc(Cl)cc(C#N)c1 1323546249 TXPUMGCBDYSSEK-UHFFFAOYSA-N 276.723 3.902 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccsc2Cl)C1 595617457 TVZZKHDUJQLRIU-JTQLQIEISA-N 254.786 3.527 30 20 CHED CCc1cc(NC(=O)CC#Cc2ccccc2)ccc1F 1323722935 VURFIQOFOGWAFM-UHFFFAOYSA-N 281.330 3.768 30 20 CHED Cn1cc(CSCc2cccc(C#N)c2)c(C(F)F)n1 1320625411 LRIMTNNYIIWEGN-UHFFFAOYSA-N 293.342 3.663 30 20 CHED C=C[C@H](COC)N[C@H](C)c1oc2ccc(OC)cc2c1C 1255019785 UHUQBBKZGPNMAT-CHWSQXEVSA-N 289.375 3.601 30 20 CHED CC1(C)CCc2ccccc2[C@H](N=c2cc[nH]c(C#N)c2)C1 1186230679 LCCGFTOBESNCDN-GOSISDBHSA-N 291.398 3.891 30 20 CHED N#Cc1cc(Cl)nc(N[C@@H](c2ccccn2)C2CC2)c1 1337993858 OQIMDZDHHQMOHG-OAHLLOKOSA-N 284.750 3.565 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1cc(F)cc(C#N)c1 720285282 VMINASGJMQAHDH-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(Cl)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 752076525 XORVXLLUJLFIHW-CABCVRRESA-N 260.768 3.511 30 20 CHED COc1cc(F)ccc1N[C@@H](C)CC(C)(C)C#N 695787484 NPMAYSNWRHAQKN-JTQLQIEISA-N 250.317 3.575 30 20 CHED COc1ccc(CN(C)c2ccc(C)cc2)cc1C#N 87833355 SSXKMSILMJAKDQ-UHFFFAOYSA-N 266.344 3.512 30 20 CHED Cc1cc(CN(CCC#N)CC(C)(C)C)cnc1Cl 769335890 ROHXYPAKFPKCNA-UHFFFAOYSA-N 279.815 3.805 30 20 CHED C=C(C)CCC(=O)Nc1cccc(NC(=O)C(C)C)c1 1336998424 TWOGMCALZTZGDR-UHFFFAOYSA-N 274.364 3.576 30 20 CHED C=C(C)CCC(=O)OCc1nc2ccccc2n1C(F)F 1341971237 GXLQDLXUTGQMBY-UHFFFAOYSA-N 294.301 3.831 30 20 CHED CCCN(CC#N)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 98022228 YVPZKQUNJPHDSN-LLVKDONJSA-N 296.823 3.583 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1Cl 1535479785 ZXBLCTPKDDQBKA-WCQYABFASA-N 277.751 3.888 30 20 CHED C=CCC1(NC(=O)CSCc2cccs2)CCCC1 1261780227 ISQRKVAIBLGWHK-UHFFFAOYSA-N 295.473 3.986 30 20 CHED CCc1ccc(C(=O)O[C@@H](CC#N)c2ccco2)cc1 1346720640 VWFHENFFMRMKBP-HNNXBMFYSA-N 269.300 3.654 30 20 CHED C[C@@H]1Cc2cc(/C=C3/CCc4ncccc4C3=O)ccc2O1 1343414370 FAFJIDQNXHAOIP-XTCQQWIJSA-N 291.350 3.618 30 20 CHED C[C@@H](C#N)N(C)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1348356761 RIOOVJCJMBWOME-VIFPVBQESA-N 299.201 3.641 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(OC)c(C2CC2)c1 1348312344 FVCFKTQVFYEREL-UHFFFAOYSA-N 273.376 3.515 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1349109721 KYJGCULCXOAXLV-YESZJQIVSA-N 296.414 3.955 30 20 CHED CC(C)c1ccc(CNC(=O)c2cc(C#N)ccc2F)cc1 1352775995 UWHDFJWENLELJS-UHFFFAOYSA-N 296.345 3.751 30 20 CHED C#CC[C@@H](C)OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 1516697356 WREHTBYSXNYENA-LLVKDONJSA-N 297.329 3.820 30 20 CHED CC[C@@H](CCc1ccccc1)Nc1ccc(C#N)cn1 1458488759 ORMKDJCCUUBVCU-INIZCTEOSA-N 265.360 3.777 30 20 CHED CCOc1ccc(NC(=O)c2ccc(CC#N)cc2)c(F)c1 1525850641 JEJYBGDMIPNPFA-UHFFFAOYSA-N 298.317 3.543 30 20 CHED C=CCCC[C@H](C)OC(=O)c1nncc2ccccc12 1524792782 GJSIFXWYBZLUSQ-LBPRGKRZSA-N 270.332 3.531 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)NCC(C)(C)CC#N 1528385981 IKDAEUISUOUBPF-UHFFFAOYSA-N 286.419 3.945 30 20 CHED C=C[C@H](CC(=O)O[C@@H](C)CCCOC)c1ccccc1 1520005063 KHHUBOCASQBCQV-LSDHHAIUSA-N 276.376 3.705 30 20 CHED N#Cc1ccc(F)c(NC(=O)NCCC2CCCCC2)c1 1466787012 MENAVFZDQNSIJO-UHFFFAOYSA-N 289.354 3.789 30 20 CHED C=CCC(C)(C)CNCc1cc(C(=O)O)c(C(C)C)[nH]1 1602836574 YGMYOFRWLJUZTF-UHFFFAOYSA-N 278.396 3.528 30 20 CHED Cc1csc(CNc2nc(C#N)c(Cl)s2)c1 1472787608 RLVFJGVUCZKLPG-UHFFFAOYSA-N 269.782 3.650 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(C(F)F)cc1 1618039092 NBIURQNLEXFOED-UHFFFAOYSA-N 276.242 3.650 30 20 CHED Cc1cccc2c1CCN2C(=O)Nc1ccc(F)cc1C#N 1562451228 SMPNDXTWNUIANY-UHFFFAOYSA-N 295.317 3.600 30 20 CHED Cc1cccc(C(C)(C)CNc2nc(C)ccc2C#N)c1 1639370993 MFZPSUNBHCQFJS-UHFFFAOYSA-N 279.387 3.960 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(C#N)cc1F 1522227787 FKJRXHKTJZIPQL-NSHDSACASA-N 276.355 3.642 30 20 CHED Cc1c(Cl)cnc(N(C)C2CC(C)(C)C2)c1C#N 1640009109 NSHWUHRVEUQDSH-UHFFFAOYSA-N 263.772 3.540 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1OC)c1ccc(F)cc1 1652975796 MVXQSQUJGHEFIB-QGZVFWFLSA-N 298.361 3.947 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(C)c(F)c1 1651591335 LPASNLYIWIGXTO-UHFFFAOYSA-N 285.318 3.984 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2ccc(C#N)cc2F)[C@@H]1C 1584093495 ZBIBABDTMAURPJ-HFAKWTLXSA-N 275.323 3.679 30 20 CHED Cc1cc(C)c(CNC(=O)Nc2sccc2C#N)c(C)c1 1663160161 WXEALIBXMZNBJE-UHFFFAOYSA-N 299.399 3.867 30 20 CHED Cc1ccccc1COC(=O)N(C)c1cccc(C#N)c1 1660985526 YFMDNGCAYRLBQW-UHFFFAOYSA-N 280.327 3.640 30 20 CHED CC(C)[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H](C#N)C1 1660704383 GSNKZUWOSOVWQM-KURKYZTESA-N 270.420 3.926 30 20 CHED CC(C)CCOC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1668387503 YBVSZOWIIHHDDV-UHFFFAOYSA-N 298.386 3.830 30 20 CHED COc1ccc(NC(=O)N[C@@H](C)CC(C)(C)C)cc1C#N 1674303878 WHQWEXYVONTVHR-NSHDSACASA-N 289.379 3.513 30 20 CHED C[C@@H](NCc1cc(C#N)ccn1)c1ccc(Cl)s1 1642657586 RJZAHWYJCKLNSP-SECBINFHSA-N 277.780 3.519 30 20 CHED CC(C[C@H]1C=CCC1)=NNc1ccc(F)c(C(=O)O)c1 1776064204 CVEUCXWGDJPLRC-NSHDSACASA-N 276.311 3.668 30 20 CHED Cc1cccc2c(C(=O)/C=C/c3cc(C(=O)O)co3)coc12 1777449113 YQFABHDUHWMKLY-AATRIKPKSA-N 296.278 3.929 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@@H]2CCCC[C@H]2C1 250772538 WQONMORLPMCKCU-STQMWFEESA-N 258.340 3.714 30 20 CHED Cc1cc(CN(C)[C@H]2CCC[C@@H](C)C2)ccc1C#N 1652051151 CDVOBVRFZAOKKN-DYVFJYSZSA-N 256.393 3.877 30 20 CHED N#Cc1ccccc1NCc1cccc(Br)c1 19921341 PZBLUSUTGWXLJJ-UHFFFAOYSA-N 287.160 3.933 30 20 CHED Cc1ccc(CN2CCCC2)cc1NCc1ccc(C#N)o1 152457797 UVCZWJOKAGVSOB-UHFFFAOYSA-N 295.386 3.668 30 20 CHED CCN(Cc1cccc(OCCCC#N)c1)CC(C)C 153689343 WEVQKCFEMNNVBG-UHFFFAOYSA-N 274.408 3.847 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccc(C)cn1 156272680 XCHLXBFTPCNBTK-UHFFFAOYSA-N 282.387 3.587 30 20 CHED CC(C)(C)SCCCC(=O)Oc1ccc(C#N)cc1F 157419111 CETVNEJCSISPEC-UHFFFAOYSA-N 295.379 3.915 30 20 CHED COc1cc(OC)c(NCCCC(C)(C)C#N)cc1F 154308447 UFWWPMPTVIBQSS-UHFFFAOYSA-N 280.343 3.585 30 20 CHED C=CCn1c(SC[C@H](C)CC)nnc1-c1cccnc1 154467544 UDDPANPMUJONDR-GFCCVEGCSA-N 288.420 3.664 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)c1c(C)noc1C 156787653 IJFRIDCFCNZWBA-GFCCVEGCSA-N 278.396 3.600 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](N=c2cc[nH]c(C#N)c2)CC1 1655379863 NYZIVGVBFHMDEW-UONOGXRCSA-N 271.408 3.782 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1ccc(C#N)c(OC)c1 234047949 ZAVLLTMRKVVFCP-GOEBONIOSA-N 272.392 3.625 30 20 CHED CCCc1nc(COc2ccc(C#N)cc2OC)cs1 42337472 QOKYIKZTNCPLMJ-UHFFFAOYSA-N 288.372 3.555 30 20 CHED C[C@H](NCCc1cccc(F)c1)c1ccc(C#N)cc1 36778743 REEHAHFJTKTTKZ-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED N#Cc1cnc(NCc2ccc(Cl)s2)c(Cl)c1 171068119 TVZCYRLTHMOCOL-UHFFFAOYSA-N 284.171 3.934 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc2sccc2c1 348570793 MXWLMTAKQXKGNL-LLVKDONJSA-N 272.373 3.523 30 20 CHED N#Cc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1Cl 301822062 MMIYKWBGNWJHAI-NWANDNLSSA-N 288.778 3.581 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C 309653945 AYNLFHWZDKJWOK-XYJFISCASA-N 272.436 3.594 30 20 CHED N#Cc1cc(N[C@@H]2CCCCC23CCCC3)ccn1 311646668 CHTQLCKTTJOGFI-OAHLLOKOSA-N 255.365 3.868 30 20 CHED C#CCCCCC(=O)Nc1c(F)cccc1Cl 692904997 BYWDVVSQLNJGNO-UHFFFAOYSA-N 253.704 3.611 30 20 CHED C=CCN(Cc1cc(C(=O)O)sc1C)C(C)(C)C 382478326 LCKAIALFMMRDTI-UHFFFAOYSA-N 267.394 3.541 30 20 CHED Cc1ccc(C#N)cc1OCc1ccc(CC#N)cc1 399001984 UCBHVDCAYYRNBP-UHFFFAOYSA-N 262.312 3.512 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ocnc1C 894601465 SEYIIRLVIPQOEB-UHFFFAOYSA-N 256.349 3.561 30 20 CHED N#Cc1ccc(Sc2cccc(F)c2C#N)cc1 34523088 VLAYQWWPULSBAU-UHFFFAOYSA-N 254.289 3.720 30 20 CHED C=CCNc1nc(-c2cccs2)nc2ccccc12 3404392 UJAYXCOTDJCIOA-UHFFFAOYSA-N 267.357 3.956 30 20 CHED N#Cc1ccc(NC(=O)CCc2cc3ccccc3o2)cc1 25384653 FMYXSDUPIDGADI-UHFFFAOYSA-N 290.322 3.876 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2cccs2)cc1 33594820 PMNTWMAKQSTUMA-TWGQIWQCSA-N 271.341 3.603 30 20 CHED CC[C@H](C(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 40360159 IVFYLADLOPFFMX-DLBZAZTESA-N 284.403 3.769 30 20 CHED N#Cc1cc(Cl)ccc1NCc1ccc(F)cc1 52856848 UXLROOJGNWSFJB-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 55862769 ZZCHUYDLWYHXFK-KRWDZBQOSA-N 294.329 3.675 30 20 CHED COc1ccc([C@@H]2CCCN2CCCCC#N)cc1 57590754 RDEGLWRKVURCOQ-INIZCTEOSA-N 258.365 3.526 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1CC1CCCCC1 60874385 NHYFCPPDPUXAFN-MRXNPFEDSA-N 269.392 3.892 30 20 CHED COc1ccccc1CN(C)c1ccc(C#N)c(Cl)c1 61850960 SNTINELAKCUBHJ-UHFFFAOYSA-N 286.762 3.857 30 20 CHED N#Cc1ccc(CNCc2csc(-c3ccco3)n2)cc1 63521721 UFFYETOEAFSWGZ-UHFFFAOYSA-N 295.367 3.565 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCc1ccc(F)cc1 63961289 KJMGYMAXLYDBCQ-UHFFFAOYSA-N 282.318 3.577 30 20 CHED N#Cc1cccc(NC(=O)c2coc3ccccc23)c1 70379572 DYJDURFRLZDIDZ-UHFFFAOYSA-N 262.268 3.557 30 20 CHED C=CCn1c(C)nnc1S[C@@H](C)c1ccccc1 72736160 OOVKWQZCDSGVAO-NSHDSACASA-N 259.378 3.626 30 20 CHED C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 75997317 XTVSMTCUPZALHV-PHIMTYICSA-N 291.782 3.721 30 20 CHED Cc1ccc(CN(C)c2c(C#N)nnc3ccccc23)s1 77216882 YQACYYAIVRPOBE-UHFFFAOYSA-N 294.383 3.508 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H](C3CC3)C2)cc1 77898354 ZAYJQZTUGUTQNI-DLBZAZTESA-N 254.377 3.617 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H](C3CC3)C2)cc1 77898357 ZAYJQZTUGUTQNI-IAGOWNOFSA-N 254.377 3.617 30 20 CHED C[C@H]1CN(Cc2ccccc2C#N)[C@@H]1c1ccccc1 81573322 FFBAOURQHBVIBV-KSSFIOAISA-N 262.356 3.751 30 20 CHED C=CCN(Cc1cccs1)Cc1nc(C)cs1 81645811 OVMNTVARZHCAHA-UHFFFAOYSA-N 264.419 3.701 30 20 CHED N#Cc1csc(C(=O)Nc2cc(F)ccc2Cl)c1 84095862 DVKUKILFULMAGU-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 88191212 VYMBEWZLBAMAFF-LBPRGKRZSA-N 298.308 3.947 30 20 CHED CCCCCCCCN1CCC(C(=O)OCC)CC1 88204779 RFGCLSJOHMJOBA-UHFFFAOYSA-N 269.429 3.622 30 20 CHED C[C@H](CC#N)N(C)Cc1cc(F)cc(C(F)(F)F)c1 93090889 JEYHXDVHYCPAIV-SECBINFHSA-N 274.261 3.578 30 20 CHED CCCCCCCCN1CCCC[C@H]1CC(=O)O 104776866 HCSQEPBNNWXSMN-AWEZNQCLSA-N 255.402 3.676 30 20 CHED CCCC(CCC)[S@@](=O)Cc1cccc(C#N)c1 108111256 LONYUOPAYLANMT-GOSISDBHSA-N 263.406 3.776 30 20 CHED CCC1(CC)CCN(CCOc2cccc(C#N)c2)CC1 110265651 JNRUVSRLBXCIOV-UHFFFAOYSA-N 286.419 3.839 30 20 CHED N#Cc1cc(F)ccc1N1CCC[C@H]1C1CCCC1 111036537 WFXAOTWKCRKYQS-HNNXBMFYSA-N 258.340 3.856 30 20 CHED C[C@H]1CO[C@H](c2ccccc2Cl)CN1CCCCC#N 111309946 SHKLNCJBORZXEE-BBRMVZONSA-N 292.810 3.796 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N(CC)C[C@@H](C)C#N 114318489 XAWJGIYJFIDOHU-ZFWWWQNUSA-N 264.413 3.601 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@H](C)CC 120251307 JRJQVONDHHOWPS-CABCVRRESA-N 299.418 3.690 30 20 CHED CC(C)(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 121424032 LWYHDWSYPVLIMJ-UHFFFAOYSA-N 299.399 3.590 30 20 CHED C[C@@H](CCC(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 123958154 FJZUZEIALHQUNE-ZFWWWQNUSA-N 272.392 3.625 30 20 CHED COc1ccc([C@@H]2CCCN2c2nc(C)ccc2C#N)cc1 127532922 QAOPRBVXZWXTJT-KRWDZBQOSA-N 293.370 3.612 30 20 CHED CCN(Cc1ccccc1)Cc1cc(C#N)ccc1OC 130395066 DTYGNVCXIIIDNZ-UHFFFAOYSA-N 280.371 3.589 30 20 CHED CC(C)(C)[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 131340419 SHNVVTRJLKCESI-CQSZACIVSA-N 260.356 3.565 30 20 CHED N#Cc1cnc(NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c(Cl)c1 132491841 YGYGAQSKPHOLFP-FMKPAKJESA-N 295.773 3.604 30 20 CHED C[C@H]1CCCCN1Cc1ccccc1C(C)(C)C#N 135096357 WWYAVBRTVJKKLW-AWEZNQCLSA-N 256.393 3.862 30 20 CHED C=CCCS[C@@H](C)C(=O)NCc1ccc(Cl)cc1 151989647 OFNQXQGSRVAEDV-NSHDSACASA-N 283.824 3.654 30 20 CHED CC(C)(C)c1ccc(C(=O)N(CCC#N)CC2CC2)s1 152413351 VIBSKZGBWWWJSE-UHFFFAOYSA-N 290.432 3.811 30 20 CHED C#Cc1cccc(N(C)C(=O)CCCSC(C)(C)C)c1 152707746 UYALSMOEKZOKOS-UHFFFAOYSA-N 289.444 3.943 30 20 CHED CC[C@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 154592306 FKEIKONRKHSWQV-ZDUSSCGKSA-N 293.370 3.830 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SCCC#CC 155268607 NTQYKCXEIYOBFU-UHFFFAOYSA-N 297.427 3.560 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3sccc32)s1 157909463 JPHPXADZJSLWGQ-CYBMUJFWSA-N 274.414 3.848 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1F)c1nc(C)cs1 162537854 YEXVFUPBLFXPFH-AWEZNQCLSA-N 289.379 3.703 30 20 CHED N#Cc1cc(NC2CCCC2)ccc1C(F)(F)F 163896971 JIDCZDYNGAAYAR-UHFFFAOYSA-N 254.255 3.932 30 20 CHED N#Cc1ccc(Cl)cc1OC/C(Cl)=C\Cl 164112696 ADZKYOQNSDRKOF-RUDMXATFSA-N 262.523 3.909 30 20 CHED N#Cc1c(Br)cccc1NC[C@@H]1CCCS1 165001230 OJVCFBAUNOHCOA-VIFPVBQESA-N 297.221 3.628 30 20 CHED COc1cccc(/C=N/[C@H](C)C2CCCCC2)c1O 166180378 LRQFKKAGKBWPAL-PBSOMRJOSA-N 261.365 3.789 30 20 CHED N#CCCCCNC(=O)c1ccccc1Nc1ccccc1 171594202 XPHCMTMLYRMYRU-UHFFFAOYSA-N 293.370 3.854 30 20 CHED C#CCCCNC(=O)c1cc2ccccc2c2cccnc12 172928142 OHDZLKHHPLFLNY-UHFFFAOYSA-N 288.350 3.531 30 20 CHED CCC[C@H](C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 175023922 FSHMZAFTUCASIF-LBPRGKRZSA-N 297.320 3.609 30 20 CHED COc1ccc(CNc2ccc3ncsc3c2)cc1C#N 178193555 LISKACJJFDZRMK-UHFFFAOYSA-N 295.367 3.789 30 20 CHED C=CCCCC(=O)Nc1ccc(SC(F)F)nc1 178323520 CYKXNSQYENCQTL-UHFFFAOYSA-N 272.320 3.691 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[C@@H](C)C1 178546388 IXDRTCOPVLNFAS-RISCZKNCSA-N 271.364 3.567 30 20 CHED CCCN(CC1CC1)C(=O)Nc1cccc(C#N)c1C 178555703 LEELWZNZHRKSKD-UHFFFAOYSA-N 271.364 3.521 30 20 CHED CCN(c1ccc(NCc2ccc(C#N)o2)cc1)C(C)C 178800234 XBEVHYCXEVPOKT-UHFFFAOYSA-N 283.375 3.998 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1ccc(Cl)nc1 179412814 UGWKCWUMJQGCDW-FNORWQNLSA-N 268.703 3.503 30 20 CHED C=CCN1CCC(N[C@H]2C[C@@H](C)c3c(C)cccc32)CC1 179421060 YYEOFEBGHZMNAN-QAPCUYQASA-N 284.447 3.783 30 20 CHED CC[C@H](C)N(C(=O)c1cccc(C#N)c1)[C@H](C)CC 180520194 UMWCPAZFEGYHPU-BETUJISGSA-N 258.365 3.597 30 20 CHED CC(C)Cn1cc(/C=C/C(=O)c2cccc(F)c2)cn1 180692696 LQJVPFBAGXLOBA-VOTSOKGWSA-N 272.323 3.574 30 20 CHED C[C@H]1CCCCN1Cc1ccc(C#N)cc1Br 180939922 CVWZNXNZTMHFHV-NSHDSACASA-N 293.208 3.695 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)C1(C)CC1 181097249 JVPFHKPPDNUIHA-OLZOCXBDSA-N 252.402 3.561 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1C1CCC1 181417303 YODKAWZBKPXXGN-HIFRSBDPSA-N 264.413 3.705 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](SC)c1ccccc1 182592468 BAVGVTAEMFXQSZ-HIFRSBDPSA-N 277.433 3.952 30 20 CHED Cc1cc(CNC(=O)c2cc(C#N)cs2)ccc1Cl 183840828 UKMRULSDKHGABB-UHFFFAOYSA-N 290.775 3.512 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 183861929 ZQVJZAHMLJSIOU-RCCFBDPRSA-N 292.382 3.752 30 20 CHED N#CC1(COC(=O)c2ccc3ccccc3c2)CCC1 183906218 JZFVOVFTLDZSIG-UHFFFAOYSA-N 265.312 3.690 30 20 CHED C[C@@H](NCCC[C@H]1CCCCO1)c1cccc(C#N)c1 183993587 JTRGEAIARVTKFW-RHSMWYFYSA-N 272.392 3.558 30 20 CHED C=CCOc1ccc(CN[C@@H](CC)CC#N)cc1Cl 184095233 YTIQXCRMLKCTHV-ZDUSSCGKSA-N 278.783 3.687 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 185173012 HPACTFDPLBQCMF-HNNXBMFYSA-N 287.403 3.845 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccccc2Br)C1 185803585 HVFJDDDJMFYLSK-AAEUAGOBSA-N 293.208 3.621 30 20 CHED CC(C)COC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccco1 185806167 FQKUQAJCMFQCOF-XHSDSOJGSA-N 290.407 3.665 30 20 CHED CC#CCCCC(=O)Nc1nc(Cc2ccccc2)cs1 186138781 AUFCBJNFIHCFLT-UHFFFAOYSA-N 298.411 3.866 30 20 CHED CC1=CCC[C@@H](C)[C@H]1CNCc1ccc(OCC#N)cc1 187213103 KOJVRMDWJWVYLG-QAPCUYQASA-N 284.403 3.671 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCc1cccs1 187702512 YKCIWGHYQKKXNZ-ZDUSSCGKSA-N 270.401 3.855 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(c2cccc(F)c2)CC1 188440671 MMOZMUGXZZJNRX-MRXNPFEDSA-N 275.367 3.576 30 20 CHED C=CCC1(C(=O)Nc2cc(F)c(OC)cc2F)CCC1 189311262 SONTVXKQIWZRJU-UHFFFAOYSA-N 281.302 3.658 30 20 CHED N#Cc1ccc(OCc2cc(F)ccc2C#N)cc1Cl 190264445 VDPWOZNEWMFLCA-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C=CCCCS[C@H]1CCc2ccccc2NC1=O 190948770 OGSFLURJXHVLPX-AWEZNQCLSA-N 261.390 3.639 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc2ncsc2c1 193965127 JZRWQIVGQISQND-UHFFFAOYSA-N 296.311 3.820 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(C)o2)c1 206967170 PPYDJMHSAQTUHS-HJWRWDBZSA-N 256.301 3.883 30 20 CHED O=C(/C=C\c1cccc2c1OCCCO2)c1ccc(F)cc1 208339007 MLVWKCBHVGRIIO-YFHOEESVSA-N 298.313 3.883 30 20 CHED O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccccc1F 211731577 YOIOSKURWBUYGQ-HJWRWDBZSA-N 271.247 3.630 30 20 CHED CCCC[C@@H](CCC)Nc1nnc(C)c(C)c1C#N 226030878 AOWUHRNQAIWPGI-CYBMUJFWSA-N 260.385 3.736 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCO[C@H]1C1CC1 230308288 KVCDBBZWUCITIR-KBPBESRZSA-N 296.292 3.556 30 20 CHED CCCCCCCCNC(=O)Cc1ccc2c(c1)CCO2 248267878 PBPONZPUGTWFFY-UHFFFAOYSA-N 289.419 3.641 30 20 CHED C[C@@H](C=NNc1nc2ccccc2[nH]1)c1ccccc1 254412183 LBGQVLARMMBDQC-LBPRGKRZSA-N 264.332 3.764 30 20 CHED N#Cc1ccc(CON=Cc2ccc(Cl)cc2)cc1 254491797 NNNPQGZAQMRBBA-UHFFFAOYSA-N 270.719 3.762 30 20 CHED C#CCOc1ccc(/C=C\C(=O)c2ccco2)cc1OCC 255083133 CESYTYOWXGNBAG-CLFYSBASSA-N 296.322 3.586 30 20 CHED C/C(=C/C(=O)Nc1ccc(F)cc1C#N)c1ccc(F)cc1 255367835 JYYVNMUMHGNUFS-FLIBITNWSA-N 298.292 3.878 30 20 CHED CCc1ccc(C(=O)/C=C\c2cnc3ccccn23)s1 255522650 GPTVHFZXDQRBCY-VURMDHGXSA-N 282.368 3.854 30 20 CHED C[C@H](CC#N)N(C)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 264079561 PWTGJTSBBIKILF-HMDXOVGESA-N 297.185 3.767 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1OCCC)OCC 270057011 STVHBWIKYARZET-MRXNPFEDSA-N 291.391 3.785 30 20 CHED CC(C)n1ccnc1Sc1snc(Cl)c1C#N 271594319 TUDJATQTQLLDBF-UHFFFAOYSA-N 284.797 3.597 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)[C@H]1CCCc2ccccc21 274313607 ISQNMRXZRMAOMK-YJBOKZPZSA-N 284.403 3.551 30 20 CHED N#CCCCCSc1nc2ccc([N+](=O)[O-])cc2s1 279398122 ZJHVYXAACVVYLI-UHFFFAOYSA-N 293.373 3.990 30 20 CHED CCCCCCC[C@H](C)CNC(=O)CCc1cnccn1 279556729 BAHUJIYGEGVOLZ-HNNXBMFYSA-N 291.439 3.522 30 20 CHED C=CC[C@@H](CC)NC(=O)c1scnc1C1CCCC1 281185106 ZBGAZASROXLSTB-GFCCVEGCSA-N 278.421 3.885 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)CC(=O)c1ccccc1F 281710466 MTBMLYBXPVCENR-CHWSQXEVSA-N 291.366 3.506 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC(C)(C)c1ccccc1Cl 285347233 PHNJYQZBKSZRFG-INIZCTEOSA-N 292.810 3.674 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)CC(C)(C)C#N)C1 286427871 RPUWCMCNQGVPEC-HIFRSBDPSA-N 270.376 3.536 30 20 CHED C=C[C@](C)(CC)c1nc(-c2c(C)nc3sccn23)no1 288950685 BYGBNZKTAHRURM-CQSZACIVSA-N 288.376 3.608 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@@H]1c1cccs1 289429211 RQYBTKUCVUPWMM-MRXNPFEDSA-N 295.407 3.636 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2nncn2CC)c1 292234032 KWCJAUCKYRUEBL-UHFFFAOYSA-N 298.390 3.506 30 20 CHED C=CCC(C)(C)C(=O)N1CCc2cc(Cl)ccc2C1 292317470 JYELCOYOTYMCHV-UHFFFAOYSA-N 277.795 3.827 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1COCCC 292341994 STVKWFFNSBUGDD-UHFFFAOYSA-N 289.419 3.832 30 20 CHED COc1ccccc1CNc1c(Cl)cccc1C#N 301213643 XQOGSTVMXMFZKF-UHFFFAOYSA-N 272.735 3.832 30 20 CHED Cc1cccc([C@@H](C)Nc2ncccc2C#N)c1C 301290776 NNRUXAFRAFCLFT-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#Cc1cccc(NCCNc2cccc3ccccc23)n1 301295150 WYEYSYUJJYPYCE-UHFFFAOYSA-N 288.354 3.630 30 20 CHED CC(C)[C@@H]1CN(c2ccc(Cl)cc2C#N)CCS1 301477554 UFLWCENTNXEUOE-AWEZNQCLSA-N 280.824 3.789 30 20 CHED C[C@@H](C[C@@H](O)c1ccccc1)Nc1cccc(F)c1C#N 301622542 DXHUADRYCUNOSX-YVEFUNNKSA-N 284.334 3.621 30 20 CHED CC(C)C/N=C(/Nc1ccccc1)N1CCCCC1 303697142 FMWWCONDKWOTQE-UHFFFAOYSA-N 259.397 3.596 30 20 CHED C=CC[C@@H](C)N[C@H]1CCc2ccc(Br)cc21 304219010 GZIIOWDRFUCLSQ-YGRLFVJLSA-N 280.209 3.991 30 20 CHED C=C(Br)CN1CCC2(CCCC2)CC1 306391181 FIXPSEWDMLJOLW-UHFFFAOYSA-N 258.203 3.551 30 20 CHED N#Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1F 307971752 YIRHWRJSTPAXLL-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(C#N)c(Br)c1 310220714 GZUKHPQETDOKDE-SECBINFHSA-N 295.180 3.695 30 20 CHED Cc1cccc(C)c1C(=O)Nc1cccc(CC#N)c1 313515833 MCOVXOTTWVFDIN-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CCc1ccc([C@@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 318064310 QDBAFVWISGOEKW-IBGZPJMESA-N 295.430 3.946 30 20 CHED Cc1cnc(N=C(O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)[nH]1 328877246 TXBUIGQTANDFMO-FRRDWIJNSA-N 261.369 3.913 30 20 CHED OC(=Nc1ccc(C2CCC2)cn1)[C@@H]1CCCOCC1 329321450 UMROEJBNWWKNFE-CYBMUJFWSA-N 274.364 3.754 30 20 CHED C[C@@H]1CCCC[C@H]1N/C(O)=N/Cc1ncc(C(C)(C)C)o1 330725573 DZKSYCKABKAGLP-VXGBXAGGSA-N 293.411 3.554 30 20 CHED CC[C@H](CC1CCCC1)C(=O)NC1(C#N)CCCCC1 330799841 YYVNGZBUDAKQBM-OAHLLOKOSA-N 276.424 3.936 30 20 CHED CC(C)[C@H](/N=C(/O)c1csc(C(C)(C)C)n1)C(C)(C)O 331097627 BIXMOUJRXLKGMI-NSHDSACASA-N 298.452 3.541 30 20 CHED CC1(C)CCc2cc(CN3CCC(C#N)CC3)ccc2O1 334180037 DPHCPVJDMITTFX-UHFFFAOYSA-N 284.403 3.526 30 20 CHED Cc1ncccc1C(=O)Nc1scc(C(C)(C)C)c1C#N 334830013 PLNUHUFRNCMNKL-UHFFFAOYSA-N 299.399 3.873 30 20 CHED Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)s1 335087871 YMUVJLXROJUIGI-LBPRGKRZSA-N 284.384 3.761 30 20 CHED CC(C)(C#N)C(=O)N1CC=C(c2cccc3ccccc23)C1 335971205 QSVMEDQTTDTDTN-UHFFFAOYSA-N 290.366 3.615 30 20 CHED C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)C1 336197110 QLJKXBOAZRJCKA-CZUORRHYSA-N 282.387 3.502 30 20 CHED Cc1cc(CN[C@@H]2CCCc3occc32)ccc1C#N 336314666 VGGGNWMXZRGWHS-MRXNPFEDSA-N 266.344 3.627 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2csc3ccccc23)C1 336611814 UFIBELWEVNYEHJ-DGCLKSJQSA-N 256.374 3.683 30 20 CHED C[C@H]1CC=CC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 340902329 GYLWQKTVPSBGPN-KSSFIOAISA-N 294.398 3.652 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OC)c2ncccc12 341477183 OBCOWZQPBXEIMG-LBPRGKRZSA-N 299.374 3.720 30 20 CHED Cc1cc(CSCc2cccnc2)ccc1C#N 342000329 PAFHIPJHDQSGKW-UHFFFAOYSA-N 254.358 3.695 30 20 CHED CC(C)(CCC#N)CNCc1ccc2occc2c1 342285709 JDCZOWUUUKWUJO-UHFFFAOYSA-N 256.349 3.852 30 20 CHED C=CCCN(C)Cc1nc2cc(C(F)(F)F)ccc2n1C 343465394 HOWLFCLQPAEXRP-UHFFFAOYSA-N 297.324 3.600 30 20 CHED COc1ccc(C#N)cc1CSc1ncccc1C 344586503 ZZJHCUIXXGSLAB-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CSc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 345635987 VDNLKJMPONMDTE-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cnn(C(C)C)c1 347883060 RGVOGLUVXMHKFH-UHFFFAOYSA-N 297.402 3.683 30 20 CHED C=CCCC(=O)N(Cc1cccs1)CC(F)(F)F 348064026 XHEFSTGENKVKHU-UHFFFAOYSA-N 277.311 3.605 30 20 CHED C=CC[C@H](CC)N1C(=O)[C@@H]2CC[C@H](c3ccccc3)N2C1=O 348567744 XXZINHCRORYFPU-XHSDSOJGSA-N 298.386 3.509 30 20 CHED C=C[C@@H]1CCCCN1Cc1ncc(CSC)s1 353231276 IMVMUQKIMXEBID-LLVKDONJSA-N 268.451 3.547 30 20 CHED C=CC1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 353601932 BVPRPCUBOIRQOT-UHFFFAOYSA-N 295.430 3.887 30 20 CHED COC(=O)c1ccc([C@H](C)Sc2ccccc2C#N)o1 357503163 MXKYGRLUWYRXLW-JTQLQIEISA-N 287.340 3.791 30 20 CHED CCc1ccc(CCN(CCC#N)Cc2ccco2)cc1 357923899 ZHGBHZVYZBFFON-UHFFFAOYSA-N 282.387 3.800 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 358912152 BIRXMJJBMMTBMH-LLVKDONJSA-N 285.347 3.654 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CC2(CCC2)c2ccccc21 360481094 CQCAFICUWLGUOA-SFHVURJKSA-N 299.414 3.684 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C 374250448 SUVNRLSTFRSOAT-WMZOPIPTSA-N 283.415 3.975 30 20 CHED N#Cc1ccc(NC(=O)CC(C2CC2)C2CC2)cc1Cl 400868137 QDOAPBOCUDWBAT-UHFFFAOYSA-N 288.778 3.976 30 20 CHED N#Cc1ccc(N2CCC=C(Cl)C2)cc1Br 404470368 ZEQCZHWEWARTNL-UHFFFAOYSA-N 297.583 3.654 30 20 CHED C[C@H]1CC[C@H](N(C)c2ccc(C(F)(F)F)c(C#N)n2)C1 409653501 RLTMFBSIJJWDQE-UWVGGRQHSA-N 283.297 3.597 30 20 CHED C=CC[C@H](CC)NC(=O)Cn1ccc2ccc(Cl)cc21 410127418 MUPMPHWPIXHBCQ-AWEZNQCLSA-N 290.794 3.766 30 20 CHED CC(C)C[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 410411847 VJDQWCAUKWOYIV-KRWDZBQOSA-N 292.467 3.845 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410964238 HJQCWHNHFKBGCW-SWLSCSKDSA-N 276.767 3.781 30 20 CHED CCN(CC#N)[C@H](C)c1ccc(Cl)c(Cl)c1 411216152 SVAUAVDWDAQZTC-SECBINFHSA-N 257.164 3.900 30 20 CHED C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H](C)C1 412204992 JEFGVSWQBKHJCU-IDCJVQTKSA-N 296.414 3.556 30 20 CHED Cc1ccccc1C1CCN(c2ncc(C#N)cc2F)CC1 413128197 NSNVHYAVPRSBPZ-UHFFFAOYSA-N 295.361 3.785 30 20 CHED CC(C)(CC#N)CNc1ccc([N+](=O)[O-])cc1OC(F)F 413412104 RUKCEDDPQZGWLU-UHFFFAOYSA-N 299.277 3.548 30 20 CHED COc1ccc(C)cc1[C@H](C)NCC(C)(C)CC#N 414162316 GZCBXWXETSXORE-ZDUSSCGKSA-N 260.381 3.594 30 20 CHED CC[C@@H](NCC(C)(C)c1cccnc1)c1ccc(C#N)cc1 414329720 IHPHPBJDSVDOTA-GOSISDBHSA-N 293.414 3.972 30 20 CHED CCn1cc(CCS[C@@H](C)c2ccc(C#N)cc2)cn1 419433016 YUHLZBUYFNUTQL-ZDUSSCGKSA-N 285.416 3.812 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@H](C)c1ccccc1 424649460 XTXZLIWJEKKRTA-AWEZNQCLSA-N 259.393 3.899 30 20 CHED C=C[C@@H]1CCCCN1Cc1nn(CC)c2ccccc12 426573091 JMYZZZDJQKPDPQ-CQSZACIVSA-N 269.392 3.597 30 20 CHED Cc1cccc(CN(C)Cc2ccc(F)c(C#N)c2)c1C 428735143 CPIUJKVEZREYPL-UHFFFAOYSA-N 282.362 3.946 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc(OC(F)F)cc1 429779530 AMHQOUNPKFYLCB-NSHDSACASA-N 280.318 3.632 30 20 CHED C=CCC(C)(C)C(=O)N(CC)Cc1cccc(F)c1 429934225 ZNEWGRKETKEOOS-UHFFFAOYSA-N 263.356 3.777 30 20 CHED C=CCN(C)C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 430304212 KGLIDXKSYCFVMN-INIZCTEOSA-N 288.366 3.589 30 20 CHED C=CC1CCN(c2ccnc3c([N+](=O)[O-])cccc23)CC1 432339533 ZZGUIGKZPUNHQO-UHFFFAOYSA-N 283.331 3.545 30 20 CHED C[C@@H]1CC[C@H](N(C)Cc2cccc(OCCCC#N)c2)C1 433048646 XWJMXIWRNFXLKP-WBVHZDCISA-N 286.419 3.990 30 20 CHED Cc1oc(C#N)cc1C(=O)NCC(C)(C)C1CCCCC1 436148536 BSJBKVBJDBLCLR-UHFFFAOYSA-N 288.391 3.796 30 20 CHED C[C@@H](CSCc1ccccc1C#N)C(F)(F)F 439024996 PWTKWFTXPORYTD-VIFPVBQESA-N 259.296 3.990 30 20 CHED C[C@H](SCC(C)(C)C)C(=O)Nc1cccc(C#N)c1 440593825 KCZGJRFIOQWAIO-NSHDSACASA-N 276.405 3.665 30 20 CHED C=CC[C@H](CC)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 440656236 RUINMEWHNRWFIK-VIFPVBQESA-N 286.278 3.963 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1(CC(C)C)CC1 440716197 PNAGZGUPIAUXLN-UHFFFAOYSA-N 296.414 3.899 30 20 CHED C[C@H]1CN([C@H](C)c2cccc(C#N)c2)CC(C)(C)C1 442894853 CJSGAYFZRXOMKB-ZIAGYGMSSA-N 256.393 3.987 30 20 CHED CC1(C)CCCN(Cc2cc(Cl)ccc2F)[C@@H]1C#N 444718245 KJTYLKHSEVKZHW-CQSZACIVSA-N 280.774 3.993 30 20 CHED CCN(CCC#N)CCc1cc(Cl)cc(Cl)c1 447310806 BMKDHZYOODSEGF-UHFFFAOYSA-N 271.191 3.771 30 20 CHED CC[C@H](N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C)c1ccc(C#N)cc1 447581568 VFLKYKXWISUSNL-VJUNAUMWSA-N 286.419 3.658 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1C 448822539 KZCMIFWINUZODU-UONOGXRCSA-N 256.349 3.632 30 20 CHED C=CC1CCN(C(=O)c2ccc(C)nc2C(C)C)CC1 448957211 RRMYRJIETHENCX-UHFFFAOYSA-N 272.392 3.552 30 20 CHED C=CCC1(NCc2cc(C#N)cs2)CCCCC1 449577469 WXGYZQBTJVCUSR-UHFFFAOYSA-N 260.406 3.988 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 449866665 DXGIDCGGCDSFCO-CRAIPNDOSA-N 288.435 3.745 30 20 CHED C=CCCCCCN(C)C(=O)c1cc2c([nH]1)CCCC2 449916603 RECHTLIAFGEHOM-UHFFFAOYSA-N 274.408 3.712 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(C#N)c1C 450172087 JXYMPDHCXOSYJD-TZMCWYRMSA-N 256.349 3.632 30 20 CHED N#CC1(CN(Cc2ccco2)C2CCCC2)CCC1 450271370 QMQGYTKDYJQKRE-UHFFFAOYSA-N 258.365 3.718 30 20 CHED Cc1ccc([C@@H]2CCCN2CC2(C#N)CCC2)s1 450409923 LZMZUVLHWWRXPS-ZDUSSCGKSA-N 260.406 3.887 30 20 CHED C=CCCCCCN(C)Cc1nnc(C2CC2)s1 450429170 KSJINLMHVHFBLO-UHFFFAOYSA-N 265.426 3.594 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 451002372 JEPKSMWNPBOHBL-CVEARBPZSA-N 271.404 3.726 30 20 CHED N#CCCN1CCc2ccc(-c3ccccc3)cc2C1 451161444 YMSODYQNFLJLDK-UHFFFAOYSA-N 262.356 3.625 30 20 CHED C=CCC1(C(=O)N(C)Cc2conc2CC)CCCCC1 452142156 LLKZTJHRBZBURW-UHFFFAOYSA-N 290.407 3.722 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccccc1SCC 453335546 AHNREVQPZKUTRB-UONOGXRCSA-N 279.449 3.776 30 20 CHED C=C(CC)CN[C@H]1CCCc2nc(CC)sc21 453368371 QHHSPHKWRAPWDW-NSHDSACASA-N 250.411 3.639 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 457079556 MAKWQIVXCJIBMP-KBXCAEBGSA-N 288.435 3.745 30 20 CHED CC(C)[C@@H]1N(C(=O)NCCCCC#N)CC12CCCCC2 458289405 MEEOBIXKUCYISR-HNNXBMFYSA-N 291.439 3.681 30 20 CHED C=CCC(C)(C)CNC(=O)NC(C)(C)c1nc(C)cs1 458812739 RCZJIVJPKCFLFA-UHFFFAOYSA-N 295.452 3.588 30 20 CHED CCC[C@H]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462196924 RYPCSUUCZIMNHG-CABCVRRESA-N 284.403 3.700 30 20 CHED COc1ccccc1[C@@]1(C)C[C@H]1Nc1ccc(F)cc1C#N 462869851 IIRDVJRQLOTIBT-QZTJIDSGSA-N 296.345 3.848 30 20 CHED C=CCOCCCN[C@@H](C)c1c(F)cccc1Cl 470762447 TVSFGWKMKFEOKH-NSHDSACASA-N 271.763 3.722 30 20 CHED N#Cc1ccnc(SCCc2ccccc2Cl)c1 477118229 VQKLWMNCJIEJKZ-UHFFFAOYSA-N 274.776 3.941 30 20 CHED C[C@H](NC(=O)[C@@H]1CC12CCCCC2)c1ccc(C#N)cc1 477333294 SGSXUYDULPVRRR-BBRMVZONSA-N 282.387 3.706 30 20 CHED C=CC1CCN(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)CC1 477447267 UNQVGJWNZHGPTB-HOTGVXAUSA-N 278.440 3.809 30 20 CHED C=CCCCC(=O)N[C@@H](C)[C@H](OC)c1ccccc1Cl 479785028 JCUZBCSRPYGKHW-LRDDRELGSA-N 295.810 3.889 30 20 CHED C=CCNC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 481665258 YCOKQAPQCUEFNG-UHFFFAOYSA-N 278.661 3.666 30 20 CHED CCN(C[C@@H](O)CCC(C)C)[C@H](C)c1ccc(C#N)cc1 482673314 RABXSCKGHLVFPK-QAPCUYQASA-N 288.435 3.738 30 20 CHED CC#CCCNC(=O)N(CCC)[C@H]1CCc2ccccc21 483418754 GPKYXIGFFNBUHQ-KRWDZBQOSA-N 284.403 3.509 30 20 CHED CC[C@@H]1CN(Cc2ccc(C#N)s2)c2ccccc2O1 484757767 YLIQPSKPFWEGEH-GFCCVEGCSA-N 284.384 3.797 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2ccc(C#N)s2)CC1 487036737 IDTVDNOMTFRIEI-LBPRGKRZSA-N 276.405 3.518 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1nc(CCC)cs1 488571691 GWAPBCCNSGOVRW-LBPRGKRZSA-N 279.409 3.668 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(Cl)c1C 488573982 CCNQAQWOPLSPQB-UHFFFAOYSA-N 274.751 3.888 30 20 CHED C=C(C)CN(C)Cc1ccc(F)cc1C(F)(F)F 497197735 HGIPNALKQNHALM-UHFFFAOYSA-N 261.262 3.852 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N(CCC#N)CC2CC2)CC(C)(C)C1 505214150 WXJUKEMUSIMJJY-ZBFHGGJFSA-N 290.451 3.991 30 20 CHED C=C(C)[C@@H](CC(=O)NC(C)(C)c1ccccc1C)OCC 508059425 QOHFSZZXQRZIFH-MRXNPFEDSA-N 289.419 3.718 30 20 CHED C=C(C)CCc1noc(-c2ccc3c(c2)CCC3)n1 508645991 QDELJZLZLQFHPG-UHFFFAOYSA-N 254.333 3.734 30 20 CHED C=C(C)CCc1noc(C(C)(C)c2ccc(OC)cc2)n1 508669588 CXFXRQOWEFSOBS-UHFFFAOYSA-N 286.375 3.913 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1cccc(C#N)c1 510591635 UAAHNAZBCSBLDY-HIFRSBDPSA-N 270.376 3.504 30 20 CHED CC[C@H](C)[C@@H](C)N(Cc1cccc(C#N)c1)C1CC1 513450330 JISBQWQVTDEPGG-UONOGXRCSA-N 256.393 3.957 30 20 CHED CN(Cc1cc(C#N)ccc1F)c1ccc(F)c(F)c1 516614242 AHRVXUSUPWQSPE-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C=CCCCSCCCOc1ccc2c(c1)OCO2 522758020 CSQLTJZJJUZPIL-UHFFFAOYSA-N 280.389 3.884 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)C#N)cc1OCCC(C)C 523560287 OJESVLCTBWNNAS-ZDUSSCGKSA-N 274.364 3.518 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(Cl)cn1 527470174 QMLUBGKPDPSVEU-HZMBPMFUSA-N 266.772 3.515 30 20 CHED CCC(C#N)(CC)C(=O)N1CC(C)(C)c2ccccc21 528820140 SLZHMQCKCOQRKG-UHFFFAOYSA-N 270.376 3.641 30 20 CHED CCc1cnc(CSCc2ccc(F)cc2C#N)o1 532368212 MQENFPYNTOGRCM-UHFFFAOYSA-N 276.336 3.681 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@](C)(CCC)C1)OCC 534421667 YLPHHZIEGZBAAF-WBVHZDCISA-N 281.440 3.787 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc([C@H]2C[C@H]2C)o1 537518133 DKODANLSOUSDCQ-DYEKYZERSA-N 276.380 3.557 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H]1CCCCS1 541332858 WWIQTQVIHQIDEZ-LLVKDONJSA-N 266.797 3.909 30 20 CHED CC(C)(CCC(=O)N1CCC(CC#N)CC1)c1ccccc1 541979291 RDEVZCRWBKPFNJ-UHFFFAOYSA-N 298.430 3.897 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(SC2CC2)cc1 543999923 OJVAUPWNZJRJTC-UHFFFAOYSA-N 288.416 3.705 30 20 CHED N#Cc1ccc(-c2nc(-c3cccc4[nH]ccc34)no2)s1 546273241 UHZQVBJMHIUCOE-UHFFFAOYSA-N 292.323 3.818 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1ccccn1 548157916 ZWUACJJJYACUNK-QGZVFWFLSA-N 297.789 3.944 30 20 CHED C=C1CCN(c2cc(C(C)C)nc(C(C)C)n2)CC1 551238849 VFXKMGGVVTYMOB-UHFFFAOYSA-N 259.397 3.880 30 20 CHED FCCCCCN(CCC(F)(F)F)CC(F)(F)F 551447601 LXYXHZVHVGDAIY-UHFFFAOYSA-N 283.231 3.943 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc2ccn(C)c(=O)c2c1 551570501 FPGFHSUSDSTDJP-CHWSQXEVSA-N 270.376 3.551 30 20 CHED C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CCC#N)CC1 567791387 PNUUIHGAGKLUEH-CYBMUJFWSA-N 287.363 3.672 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(CC)CC1CCC1 569292164 CUXXNZGZWMGSIA-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CCC[C@H](NC[C@]1(C)OCCc2sccc21)C1CC1 570977946 IHPLMRMRQCNRQS-RDJZCZTQSA-N 291.460 3.870 30 20 CHED N#CC1(CNc2ncnc3oc(-c4ccccc4)cc23)CC1 573180623 OLADFZCXJYWRND-UHFFFAOYSA-N 290.326 3.605 30 20 CHED N#Cc1ncccc1SCc1ccn(C2CCCC2)n1 573338039 ATVLXGVILHMGKB-UHFFFAOYSA-N 284.388 3.557 30 20 CHED C[C@H]1CN(CCCCC(C)(C)C#N)CCC1(F)F 573648570 QFZQIKZNZORABF-LBPRGKRZSA-N 258.356 3.684 30 20 CHED C=CCC[C@H](CCC)Nc1cc(CCOC)ccn1 574300597 PDEQYHQPGXBHBG-HNNXBMFYSA-N 262.397 3.817 30 20 CHED C=CCCCCN(Cc1ccc(-n2cncn2)cc1)C1CC1 574879029 MHUHTSXYURWFKS-UHFFFAOYSA-N 296.418 3.588 30 20 CHED N#CC1(CNCc2ccc(OCc3ccccc3)cc2)CC1 579190039 HVCVJVGQTNIZKB-UHFFFAOYSA-N 292.382 3.659 30 20 CHED C=CCCCN(C)c1nnc(C2CCCC2)n1C1CC1 579604867 NZQILHUDAAXWCL-UHFFFAOYSA-N 274.412 3.673 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H](C)C#N)c2c1 583037219 PKBDNBCVOIVBKY-JTQLQIEISA-N 284.750 3.640 30 20 CHED CCCN(Cc1ccc(C#N)cn1)[C@H]1CCc2ccccc21 584061468 MFUGYRAOMZWUNO-IBGZPJMESA-N 291.398 3.853 30 20 CHED C=CCC[C@H](N[C@H]1CSC1(C)C)c1ccco1 584129262 RQWBKJYAPSDFRM-AAEUAGOBSA-N 251.395 3.771 30 20 CHED Cc1cccc(-c2noc(CCCCCC#N)n2)c1 589073818 SESRFFLWWABWDV-UHFFFAOYSA-N 255.321 3.672 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc(C2CC2)o1 590780176 UISWPXJOVWRPLL-QGZVFWFLSA-N 293.370 3.591 30 20 CHED CC[C@H](NC(=O)CCCCCC#N)C1CCCC1 590883477 WJZAIRPOUGSWGJ-AWEZNQCLSA-N 250.386 3.545 30 20 CHED N#CC1(CCN2CCOc3ccccc3C2)CCCCC1 591011437 SRKLHTZBXABCOR-UHFFFAOYSA-N 284.403 3.745 30 20 CHED C[C@H]1C[C@H](C(=O)N2CCC(CCC#N)CC2)CC[C@H]1C 592817788 OFEDABKPVTUPCP-IJEWVQPXSA-N 276.424 3.601 30 20 CHED CN(C)Cc1cccc(-c2cccc(C3(C#N)CC3)c2)c1 592987134 PVGDWOPQYWYZQO-UHFFFAOYSA-N 276.383 3.970 30 20 CHED CC[C@@H](C#N)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 593445222 GFHGTTAMIIIGDQ-ZJUUUORDSA-N 299.201 3.763 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1N(C)C1CCCC1 593528483 MGJYWRMQCCVGFY-CYBMUJFWSA-N 285.391 3.554 30 20 CHED COC[C@H](CC(C)(C)C)Nc1ccc(CC#N)cc1 593615274 LHBHRGGXYLFRBP-HNNXBMFYSA-N 260.381 3.616 30 20 CHED CC1CCC(N(C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 593953662 PXBNSNNMSIOXAO-CSLYMUCUSA-N 298.430 3.774 30 20 CHED C[C@H](Cc1cccc(F)c1)N(C)CCc1ccc(C#N)cc1 595541069 QTHOQQPBTMKRLK-OAHLLOKOSA-N 296.389 3.803 30 20 CHED N#Cc1cnnc(S[C@@H]2CCCc3ccccc32)c1 596161872 MFSHLJSBWMPOCL-CQSZACIVSA-N 267.357 3.518 30 20 CHED N#Cc1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 598150446 FLJLOTSHFAQSBY-QGZVFWFLSA-N 282.387 3.601 30 20 CHED CC(C)(C#N)C[C@@H](O)CSCc1ccccc1Cl 598701418 KHZDWSUYNHEZFD-GFCCVEGCSA-N 283.824 3.874 30 20 CHED CCCC[C@@H](C(=O)N[C@@H](C#N)CC(C)C)C(C)C 598826930 YKOBGACSNKJYSD-ZIAGYGMSSA-N 252.402 3.503 30 20 CHED C[C@H](CCC#N)CNCC(C)(C)c1cccs1 602554043 ZAPWAVCSWXJWMS-GFCCVEGCSA-N 250.411 3.555 30 20 CHED CSc1ccc(Cl)c(C(=O)N[C@@H](C#N)CC(C)C)c1 608824114 VEYJXHVUUFMXDF-SNVBAGLBSA-N 296.823 3.730 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 610138493 JYRYSDMMURHNJW-CKEIUWERSA-N 299.418 3.887 30 20 CHED Cc1cc(C)c(C#N)c(N2Cc3ccccc3C(F)(F)C2)n1 610915586 ZSDYIFSGWLCYKK-UHFFFAOYSA-N 299.324 3.682 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)NCC(C)(C)C#N 611696783 JEFGJSAFBQNLBT-AWEZNQCLSA-N 264.413 3.649 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@](C)(C#N)C1 612121432 ZZLRBFMBZKNTHH-INMHGKMJSA-N 291.439 3.681 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Cc1ccccc1C 615969979 VTARTRXPUWMBNP-UHFFFAOYSA-N 297.373 3.891 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3ccsc3[nH]2)C1 617787612 SLWYDRYNEGFCEY-LLVKDONJSA-N 274.389 3.658 30 20 CHED N#Cc1ccc(NC[C@H](c2ccccc2)N2CCCC2)cc1 619511063 BDKLZHDCDZMAQK-LJQANCHMSA-N 291.398 3.807 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)sc1C 620863861 FSUVMCZMKBJIBA-UHFFFAOYSA-N 251.395 3.840 30 20 CHED C=CC[C@H](C)NC(=O)Cc1cc(Cl)cc(Cl)c1 625698460 HRQJSZLARVPKGX-VIFPVBQESA-N 272.175 3.617 30 20 CHED C=CCCC(=O)N([C@H]1CCc2ccccc21)[C@H](C)COC 629749479 MYWLBTBSECSGSF-PBHICJAKSA-N 287.403 3.504 30 20 CHED C=CCN(CCCCCC(=O)O)CC1CCCCC1 652413537 WAEYKLBVJHWJPL-UHFFFAOYSA-N 267.413 3.700 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc(C2CCOCC2)no1 656749055 GPWSISYGIRQMPH-HNNXBMFYSA-N 284.359 3.672 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC(C)(C)C(C)(C)O 658032929 YRXSZYPXMHSNGP-KBPBESRZSA-N 253.430 3.508 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H](CC)C1CC1 661873769 GHKNPSRYAVTPDN-AWEZNQCLSA-N 278.421 3.634 30 20 CHED CC#CCCSc1nnc(-c2cccc(C)c2)o1 680882755 XNJFSINUHKKHME-UHFFFAOYSA-N 258.346 3.551 30 20 CHED C#CC1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 692293423 IQOSXFCYZFMUQI-UHFFFAOYSA-N 288.199 3.540 30 20 CHED N#Cc1ccc(Cl)cc1NCc1cccc2c1OCC2 693062212 YQQQXHFLUGWORH-UHFFFAOYSA-N 284.746 3.759 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccccc1Cl 695859626 OVHIRBHVUSXBAR-LLVKDONJSA-N 250.773 3.758 30 20 CHED CCCCCCCNC(=O)c1cccnc1Br 703777192 PTYGEOHXIPMBKP-UHFFFAOYSA-N 299.212 3.544 30 20 CHED N#Cc1ccc(OCc2ncccc2Cl)c(Cl)c1 703857846 DBSCSGOGTMJEJM-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C=CCCC(C)(C)CNCc1cc(C(=O)O)cs1 704024425 WRIJVRMWRMVKJO-UHFFFAOYSA-N 267.394 3.528 30 20 CHED N#Cc1ccc(COC(=O)c2ccc(C(F)F)cc2)cc1 726665390 ULKMPHKIQFFVHF-UHFFFAOYSA-N 287.265 3.853 30 20 CHED CC[C@H](CC(=O)N(CCC#N)CC(C)C)c1ccccc1 728862706 HPIJSOWHLVFTGO-MRXNPFEDSA-N 286.419 3.969 30 20 CHED CCC[C@H](/N=C\c1ccccc1O)c1ccccn1 729150380 UXZPFCRMVIYKNZ-HIXWQLQUSA-N 254.333 3.748 30 20 CHED C[C@H]1CCC[C@@H](OC(=O)c2cc3ccccc3n2CC#N)C1 729648879 IWWOONDYMDHOQP-DZGCQCFKSA-N 296.370 3.900 30 20 CHED COc1cccc(/C=N/[C@H]2CCc3ccc(C)cc32)c1O 730147033 JWIWDYXJAFEGRX-ZVCOJXFSSA-N 281.355 3.816 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccccc1F)C2 730948686 JSBGFADCYAEARX-UVTDQMKNSA-N 252.288 3.957 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)c2ccc(C)s2)CC1 732452791 LBFHXAFTFMALJZ-LBPRGKRZSA-N 278.421 3.725 30 20 CHED CON=Cc1ccc(-c2nc(-c3ccccc3C)no2)cc1 733737301 KAQFZBVMHJSXKY-UHFFFAOYSA-N 293.326 3.692 30 20 CHED CC(CCc1ccco1)=NNc1cnnc2ccccc12 733749919 FUTZSJZBIWHKMV-UHFFFAOYSA-N 280.331 3.643 30 20 CHED C[C@@H](Sc1ccc(Cl)nn1)c1ccc(C#N)cc1 735618030 DADGTWBZDLCBNN-SECBINFHSA-N 275.764 3.855 30 20 CHED Fc1ccccc1C=NNc1cccc(C(F)(F)F)n1 739421606 MNNCVNFVDHCPIF-UHFFFAOYSA-N 283.228 3.686 30 20 CHED O=C(O)c1ccc(NN=Cc2cc3cc(F)ccc3o2)cc1 741759926 OGPUEPHNZNSEND-UHFFFAOYSA-N 298.273 3.716 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc(Cl)c(F)c2)n1 741764318 ZLHNZMGBFKPBBX-UHFFFAOYSA-N 299.136 3.677 30 20 CHED C=C(C)CNC(=S)N(C)CC(C)(C)c1ccc(C)cc1 741874593 HNEKLZDDLZVSHX-UHFFFAOYSA-N 290.476 3.655 30 20 CHED Cc1ccc(/C=C2/Oc3ccccc3C2=O)cc1C 742435404 ANYBNKZLEBFTDA-MHWRWJLKSA-N 250.297 3.920 30 20 CHED CC(C)c1nccc(N[C@@H](C)c2cccc(C#N)c2)n1 743459922 PLTNTCZWLIFMPM-LBPRGKRZSA-N 266.348 3.645 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1ccccn1)c1cccc(Cl)c1 744025772 NIVCSXIRCVLFPN-RISCZKNCSA-N 284.746 3.715 30 20 CHED C=C(C)CCOC(=O)C[C@@H](C)c1ccc(F)cc1 744304187 PBYWMQVGQJWXLG-GFCCVEGCSA-N 250.313 3.829 30 20 CHED CC/C(=C\C(=O)OCCCC#N)c1cccc(Cl)c1 745756810 CFEBJIQSBIZRBS-VAWYXSNFSA-N 277.751 3.980 30 20 CHED CCCCCCCOC(=O)Cc1n[nH]c2ccccc12 746582620 GLYABHVRKDDJPU-UHFFFAOYSA-N 274.364 3.619 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1cccc(C#N)c1 747060088 GSDPTTBYMSHEGJ-UHFFFAOYSA-N 294.314 3.611 30 20 CHED CC(C)c1ocnc1C(=O)O[C@H](C)c1ccc(C#N)cc1 748677145 KSAFOQQMXVWARR-LLVKDONJSA-N 284.315 3.588 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc(C#N)s1 748999751 SHZYCBUYZMWEQQ-VURMDHGXSA-N 283.352 3.833 30 20 CHED Cc1nc(C#N)c(NN=C[C@H](C)CCc2ccccc2)o1 749157528 GFVAHKLYQVKXMT-GFCCVEGCSA-N 282.347 3.521 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H](C)c1ccc(Cl)s1 749927415 YRLSRZVCDJKFAJ-LLVKDONJSA-N 298.839 3.903 30 20 CHED CCCCCCCCCN(C)C(=O)NCC(F)F 752019112 MUJYMWCNFQIQIB-UHFFFAOYSA-N 264.360 3.644 30 20 CHED C#CCCCCc1nc(-c2occc2C(C)C)no1 752911779 MPLYKHNFFXXXCU-UHFFFAOYSA-N 258.321 3.799 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N[C@@](C)(C#N)CCc2ccccc2)C1 753609766 MNIKTTRNHLLXGA-TUCNFPDKSA-N 296.414 3.764 30 20 CHED O=C(O)c1ccc(NN=Cc2cc(Cl)ccc2F)cc1 753690932 HGXXPENNYLYGLO-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=C(Br)CNC(=O)[C@H](CCCCC)C(C)C 755237939 HQLCRJRZDZHQEJ-GFCCVEGCSA-N 290.245 3.864 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NNc1ccc(F)cc1 755472551 XFPDRJQHVYGSPP-UHFFFAOYSA-N 294.333 3.766 30 20 CHED C=CC[C@H](N[C@H](C)c1cc(F)ccc1O)c1ccncc1 756582063 FLDPLQFZDKAADW-WBMJQRKESA-N 286.350 3.894 30 20 CHED C#CC[C@@H](Nc1c(F)c(F)nc(F)c1F)c1ccccc1 756956403 DUASVHXNSJWCBQ-SNVBAGLBSA-N 294.251 3.815 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 758515922 HEZXDZAIKGOHNC-GFCCVEGCSA-N 289.331 3.967 30 20 CHED C#CCCCCNC(=O)N1CCCC[C@H]1Cc1ccccc1 758880214 MCCIMUSSQSTQOI-SFHVURJKSA-N 298.430 3.597 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1ccc(Cl)nc1 759084664 VYDKMLIHEBHBTP-GQCTYLIASA-N 279.673 3.909 30 20 CHED C#CCCCC(=O)O[C@H](C)c1ccc(F)c(Cl)c1 759166170 HMTPAXRPZFLUQZ-SNVBAGLBSA-N 268.715 3.887 30 20 CHED C#CCCCC(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 759182332 IQEZOHBUWQYIHE-CYBMUJFWSA-N 283.327 3.749 30 20 CHED C=CCCC(=O)COC(=O)c1cc2ccccc2s1 761366822 QNQINGWILVIKRI-UHFFFAOYSA-N 274.341 3.593 30 20 CHED CCC1(CC)C(=NNc2nc3ccccc3[nH]2)C[C@H]1OC 762605072 TUTMEZQGMZDUEG-CQSZACIVSA-N 286.379 3.556 30 20 CHED FC(F)(F)CON=Cc1cc(Cl)cc2cccnc12 764835569 LQKZWJNCGLZAPN-UHFFFAOYSA-N 288.656 3.801 30 20 CHED C#CCC(C)(C)C(=O)OCc1coc(-c2ccc(C)cc2)n1 767650318 NHVGDGWIQFRHEK-UHFFFAOYSA-N 297.354 3.743 30 20 CHED Cc1ncccc1C(=O)OCc1ccccc1C(C)(C)C#N 768021117 GQPJXLDFONGKDC-UHFFFAOYSA-N 294.354 3.548 30 20 CHED CC(C)COc1cccc(C(=O)OCC2(C#N)CCC2)c1 768103551 NMWASKOBTJKZDV-UHFFFAOYSA-N 287.359 3.572 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(OCC(F)F)cc1 768153882 OHGBGIINYDGVGV-UHFFFAOYSA-N 296.361 3.702 30 20 CHED Cc1ccc(C=NNc2cc(C#N)cc(Cl)n2)cc1C 768380487 PSLAVMAXBAKPHC-UHFFFAOYSA-N 284.750 3.670 30 20 CHED C=CCN(Cc1nc2ccc(Cl)cc2n1C)C(C)C 768547467 NRPWUIRNXGQKTM-UHFFFAOYSA-N 277.799 3.623 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(O)c(F)c1 769840988 QRYLDLHDMZUPTB-UHFFFAOYSA-N 276.286 3.815 30 20 CHED COc1cccc(NCC#Cc2cccc(Cl)c2)c1F 769898660 QGMHTNKFCAIOTH-UHFFFAOYSA-N 289.737 3.951 30 20 CHED CC(=NNc1nc2ccccc2s1)c1ccc(F)cn1 770588882 JZMQDLXYACCRQS-UHFFFAOYSA-N 286.335 3.667 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc(F)cn1 770590805 BZBHYOGKEQXBLH-UHFFFAOYSA-N 257.312 3.674 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 770945492 PPIXOAPMEIEGLQ-RYUDHWBXSA-N 296.370 3.609 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCOC2CCC2)c1 772093105 WLXZYLJVKONWJD-UHFFFAOYSA-N 284.281 3.558 30 20 CHED CCN(C)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 773815081 YEIUYLCFLJKLCG-HNNXBMFYSA-N 293.414 3.865 30 20 CHED C=CCc1ccc(OC(=O)C2(F)CCCC2)c(OC)c1 773966886 ONVJHGUXRQCOAK-UHFFFAOYSA-N 278.323 3.611 30 20 CHED Cc1cccc(C)c1/C=C1/CC(=O)Nc2ccccc2C1=O 774144075 ZHYJXPCSJIGBPO-UVTDQMKNSA-N 291.350 3.912 30 20 CHED Fc1cccc(NN=CCCc2ccc3c(c2)CCO3)c1 774373910 BHVSOPGDQCGUGH-UHFFFAOYSA-N 284.334 3.791 30 20 CHED C(=NOC1CCOCC1)c1cc(-c2ccccc2)cs1 774451873 UIFMDXFJJJCWOA-UHFFFAOYSA-N 287.384 3.945 30 20 CHED Clc1ccc(C2CC(=NOC3CCOCC3)C2)cc1 774457646 LFKXFPGNEABJJP-UHFFFAOYSA-N 279.767 3.769 30 20 CHED N#CC1(COC(=O)C(c2ccccc2)c2ccccc2)CC1 775829161 VEVXSMPLWFUKLJ-UHFFFAOYSA-N 291.350 3.665 30 20 CHED N#CCc1ccccc1CC(=O)OCc1ccc(Cl)cc1 776740215 WBAARLMAODMZFA-UHFFFAOYSA-N 299.757 3.692 30 20 CHED CSc1ccc(OC(=O)Cc2ccccc2CC#N)cc1 776746446 AKTSUBOQFSAIBA-UHFFFAOYSA-N 297.379 3.623 30 20 CHED COc1cccc(/C=N\Cc2ccc(Cl)cc2F)c1O 777401772 QYOCRDSPTRTDSC-NVMNQCDNSA-N 293.725 3.812 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc([N+](=O)[O-])cc1F)C2=O 777916884 RZKJXCORYWLBSI-GHXNOFRVSA-N 297.285 3.865 30 20 CHED N#C[C@H](OC(=O)[C@@H](F)Cc1ccccc1)C1CCCCC1 778199827 RLFYYTGMARUBJK-HOTGVXAUSA-N 289.350 3.583 30 20 CHED C=CC[C@@H](C(=O)OCc1cccc(C#N)c1)c1ccccc1 778428721 TUHMSELDLOBWFI-GOSISDBHSA-N 291.350 3.961 30 20 CHED C=CCc1ccc(OC(=O)c2ncc(C)cc2C)c(OC)c1 779738923 AUNDUWHJRFZOIE-UHFFFAOYSA-N 297.354 3.655 30 20 CHED CC/C(C)=C(\C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 779807052 PCYHAFRXJBNFMO-BUHFOSPRSA-N 282.387 3.796 30 20 CHED C#CCCCCCC(=O)NCCc1c(C)[nH]c2ccccc12 779899670 RXTOSPWUAFNLJG-UHFFFAOYSA-N 296.414 3.719 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1c1cccc(OC)c1 780330961 KIRKALILVGRVAQ-GOSISDBHSA-N 299.414 3.942 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccccc1SC)OCC 781252856 RCFPPBXPTWMOGH-CQSZACIVSA-N 294.416 3.823 30 20 CHED Cc1cc(NN=C2CC(c3cccc(F)c3)C2)nc(C)n1 781589106 CHNQXBUVYFFVDN-UHFFFAOYSA-N 284.338 3.578 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1ccccc1C 782535723 UQXQRSKWMYXRHY-YOEHRIQHSA-N 276.376 3.828 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1cnc(C)s1 783881238 UVSQRLYWQGQNKQ-UHFFFAOYSA-N 290.779 3.813 30 20 CHED C[C@]1(C#N)CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1 784742394 ANKHQJPUXVLBKV-YVARQFDVSA-N 294.807 3.567 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cc(-c2ccccc2)no1 785758868 DRIKCKNTEMHEHC-KRWDZBQOSA-N 285.343 3.987 30 20 CHED CC1(C)CCC1=NNc1ncnc2sc3c(c12)CCC3 788967154 WPGFBQQUWMBHJZ-UHFFFAOYSA-N 286.404 3.768 30 20 CHED CCC(=NNc1ncccc1C)c1ccc(OC)cc1 790185716 LMBJLXRHVGEFTA-UHFFFAOYSA-N 269.348 3.625 30 20 CHED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O[C@H](C)C#N 792509654 CPKBFBLWHYXXAC-ZYHUDNBSSA-N 299.292 3.729 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNCCC(F)(F)F 794551116 BPGPJGANDAKSAK-NXEZZACHSA-N 250.308 3.731 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccnc(F)c1 794720451 ROYVKCGCHJRAQE-UTCJRWHESA-N 293.244 3.718 30 20 CHED COCCCON=Cc1cc(-c2ccccc2)ccc1OC 795050503 FBIIIQQJZVAYSI-UHFFFAOYSA-N 299.370 3.749 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H]1CCc2cc(Cl)ccc21 795380521 CWSZSGGGWQSCTH-QMTHXVAHSA-N 295.835 3.751 30 20 CHED N#Cc1ccc(CNC/C=C\c2ccc(F)c(F)c2)cc1 796265318 GTHIPYNFKKDHFN-UPHRSURJSA-N 284.309 3.639 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C/c1ccc2[nH]ccc2c1 798554119 MNTBGCFTCAOQCX-LOWQCSRCSA-N 268.360 3.652 30 20 CHED C=CC[C@H](CC)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 799035306 WMRRJOOMYCUMOM-AWEZNQCLSA-N 295.304 3.528 30 20 CHED Cc1ccc(C(=O)N2C[C@@H](C)Cc3ccccc32)cc1C#N 799333626 VSHBOPSHDFUYCT-ZDUSSCGKSA-N 290.366 3.706 30 20 CHED C[C@H](Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CC1 799347396 WDZWAQFWQGEYBL-QMMMGPOBSA-N 270.254 3.667 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@@H](C)c1ccccc1SC 799384656 HULMNGIDNSKQBI-QWHCGFSZSA-N 290.432 3.571 30 20 CHED CCOc1ccc(C=NOCCSC(C)C)cc1 800868331 WZHICCXMSIJDDL-UHFFFAOYSA-N 267.394 3.577 30 20 CHED CC(C)[C@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1F 801939014 OPICSSRNPYWILW-ABAIWWIYSA-N 298.789 3.694 30 20 CHED Cc1cc(SCCO[C@H](C)C#N)c2ccccc2n1 802751757 OYPDMMQMHYPAAZ-GFCCVEGCSA-N 272.373 3.564 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cccc(N2CCCCCC2)c1 806295649 RTFCCEQIFDUPHJ-HNNXBMFYSA-N 299.418 3.600 30 20 CHED C[C@@H]1CCC(=NNc2nccnc2C2CCC2)[C@H](C)C1 807992096 ZGGAKEJLDKYWGY-VXGBXAGGSA-N 272.396 3.968 30 20 CHED CCC[C@@H](C)c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 809360134 VORIBNZOBOZCSL-DOMZBBRYSA-N 294.358 3.695 30 20 CHED C#Cc1ccc(CNCC2(c3ccc(F)cc3)CC2)cc1 809606896 IVAQMMUXMDRIGG-UHFFFAOYSA-N 279.358 3.628 30 20 CHED C#CCCCCCC(=O)Oc1ccc2c(c1)CCCO2 810991224 SPLCOAADTVMDPY-UHFFFAOYSA-N 272.344 3.501 30 20 CHED C=CCCCCCCCNC(=O)[C@](C)(C#N)CC 811590792 LJDDGUJTGVMYLW-HNNXBMFYSA-N 250.386 3.569 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NOC/C=C\Cl 811672084 PKAMPDIRRJZPKV-AMPHXSDXSA-N 274.751 3.758 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)cc2C)cc1O 811698163 IXVOGNLMJDZEQH-VURMDHGXSA-N 282.339 3.914 30 20 CHED CC(=NOC1CCC1)c1ccc2ccccc2c1O 812235603 KMCXCXWKBQYOTH-UHFFFAOYSA-N 255.317 3.839 30 20 CHED Cc1nc(Cl)cc(NN=C2CCCc3sccc32)n1 814856002 XNBJXAXFZXZUPQ-UHFFFAOYSA-N 292.795 3.652 30 20 CHED Fc1cccc(NN=C2COc3cccc(Cl)c32)c1F 814859137 KXMOZTKCANHYDB-UHFFFAOYSA-N 294.688 3.827 30 20 CHED CC[C@H](C=NN1Cc2ccccc2C1=O)c1ccccc1 814902592 QFAPMLNCYAHMOK-CQSZACIVSA-N 278.355 3.822 30 20 CHED c1cnc(C2CCC2)c(NN=C2CC[C@H]2C2CCC2)n1 814932393 YRBROTPSJJJFEV-ZDUSSCGKSA-N 270.380 3.722 30 20 CHED C[C@@H](C(=O)OCC#Cc1cccc(Cl)c1)C(C)(F)F 815487986 RYZJKALNLAPRST-JTQLQIEISA-N 286.705 3.526 30 20 CHED CCCCCCCC(=O)Nc1cccc2nc(O)[nH]c12 816653728 GDGUPLVPFMCJGG-UHFFFAOYSA-N 275.352 3.568 30 20 CHED O=C1/C(=C\c2cccc(C3CC3)c2)CCc2nc(O)ccc21 817345407 DOFSKBHYBPBXOT-PTNGSMBKSA-N 291.350 3.877 30 20 CHED C[C@@H](N[C@H]1CCc2cccnc2CC1)c1cccc(C#N)c1 817578675 OAVVISXGIUPSIC-KDOFPFPSSA-N 291.398 3.551 30 20 CHED CC(C)COc1ccccc1C=NN[C@H](C)c1ccncc1 819818596 NXJXGJOXKRTBFY-OAHLLOKOSA-N 297.402 3.801 30 20 CHED Nc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cn1 821038848 NDMWWVFPJPOHRE-XFSBKJJWSA-N 292.260 3.579 30 20 CHED C=CCCCC[C@H](C)NC[C@H](O)c1cccc(F)c1 823737015 REJZPTZGACHUDF-BBRMVZONSA-N 265.372 3.584 30 20 CHED C=C(C)CCNCc1cc(C)cc(Br)c1O 824743978 UFXMGELLINGOEC-UHFFFAOYSA-N 284.197 3.519 30 20 CHED C=CC[C@@H](C)N[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1 825660172 YSWFKBMWAWLHFP-PELKAZGASA-N 288.174 3.673 30 20 CHED CCCCCCCCNC(=O)Cc1ccc(CC)cn1 831166685 UQXDITKOZFMYAB-UHFFFAOYSA-N 276.424 3.663 30 20 CHED C=CCCCCN[C@H](C)c1nc(Br)cs1 834770901 ZYENCYJMNINWTQ-SECBINFHSA-N 289.242 3.913 30 20 CHED CC[C@](C)(C=NNc1ccc(OC(F)F)cc1)OC 834952637 VUMINYWJDBBIPJ-CYBMUJFWSA-N 272.295 3.501 30 20 CHED Cc1cc(C=NNc2cc(C(F)(F)F)ccn2)c(C)n1C 834984697 YBBSYJHFCKKYCP-UHFFFAOYSA-N 296.296 3.502 30 20 CHED CC(C)ON=C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 835000245 LCPZRSMUAIVCSL-CALCHBBNSA-N 272.392 3.594 30 20 CHED COCC1CCC(=NN[C@@H]2CCc3c(F)cccc32)CC1 835020928 LLYNGHIWKBRHDK-RGUGMKFQSA-N 290.382 3.595 30 20 CHED C=CCCC[C@@H](C)OC(=O)[C@H]1CC12CCSCC2 835271123 ZAJKXSMVSISGGF-CHWSQXEVSA-N 268.422 3.808 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(C)C 836424017 ZEJQBFHAFMBDKM-ZDUSSCGKSA-N 298.308 3.571 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)O[C@H](C#N)C1CCCCC1 837778627 VJBJLIQOKFOGPN-QGZVFWFLSA-N 298.386 3.897 30 20 CHED CN(C(=O)C#CC(C)(C)C)[C@@H]1CCC[C@@H]1c1ccccc1 837927024 FNSHFJTTXQRKNQ-IAGOWNOFSA-N 283.415 3.831 30 20 CHED Cc1cccc2c(CC(=O)O[C@@H]3CCC[C@H](C#N)C3)c[nH]c12 839053857 MEKQXXUTIKQZKS-DZGCQCFKSA-N 296.370 3.644 30 20 CHED Cc1ccc(/C=C/C(=O)OCCC2(C#N)CCCCC2)cn1 840438498 XKFRNGHNFUBGES-BQYQJAHWSA-N 298.386 3.811 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2ccsc2)cn1 840716201 IDXBVPSLZIOJFI-SNAWJCMRSA-N 272.373 3.732 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccc(Cl)c(F)c1F 841310419 BWLAKGDYJYUCKA-MRVPVSSYSA-N 290.693 3.505 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccc(C)c(Cl)c1 841333271 ZYPFMUKDXCSUPF-LLVKDONJSA-N 268.740 3.535 30 20 CHED CCCON=C(C)[C@H](C)c1ccc(OC)c(OC)c1 842550593 INSXKHPGUIQJPI-NSHDSACASA-N 265.353 3.610 30 20 CHED COc1ccc(/C=C\C(=O)c2coc(C(C)C)n2)c(F)c1 844551713 HBMWJPHLPKPEND-ALCCZGGFSA-N 289.306 3.842 30 20 CHED COc1ccc(N(Cc2ccc(C#N)cn2)C(C)C)cc1F 846820909 BVFIICYWHSNXHW-UHFFFAOYSA-N 299.349 3.516 30 20 CHED C[C@@H](OC(=O)CCCc1ccc(F)cc1)C(C)(C)C#N 847667336 JKYYCHJLDOWLDG-GFCCVEGCSA-N 277.339 3.630 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H]1C[C@@H](C)C(=O)C(C)(C)C1 847943519 VGRULVVPQZCESD-NEPJUHHUSA-N 266.381 3.526 30 20 CHED C=CC(C)(C)CCOC(=O)c1oc(CCC)nc1C 851300210 MKXGLCSFBRIJGO-UHFFFAOYSA-N 265.353 3.695 30 20 CHED CCN(Cc1cc2ccccc2nc1Cl)[C@@H](C)C#N 852637933 JHJOTXPKWURURM-NSHDSACASA-N 273.767 3.622 30 20 CHED C=C(CNC(=O)CC[C@H]1CC1(Cl)Cl)c1ccccc1 854470882 LVEDAKAQXJPACV-ZDUSSCGKSA-N 298.213 3.790 30 20 CHED C#CC[C@H](N[C@H]1CCCc2scnc21)c1ccccc1 858382075 KJKMYVQQKDONFU-GJZGRUSLSA-N 282.412 3.875 30 20 CHED Cc1cc(N(C)C)ccc1/C=C1\CCc2scnc2C1=O 863198813 UIICWIOSHYVACV-UKTHLTGXSA-N 298.411 3.730 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1cccc2ncccc12 873380414 MTZSIKBJYWYVKP-GOSISDBHSA-N 299.370 3.507 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H]1c1cccc(N(C)C)c1 876749112 KEAUFSCSQIBUED-MAUKXSAKSA-N 285.435 3.829 30 20 CHED Cc1nc(C#N)cc(S[C@@H](C)c2cccs2)n1 882001950 WGYLBFOEFUXRSW-QMMMGPOBSA-N 261.375 3.572 30 20 CHED C=C[C@](C)(CC)C(=O)NCCC1CCC(F)(F)CC1 890058328 GRZBPEHXSJEZHP-CQSZACIVSA-N 273.367 3.921 30 20 CHED C=CCN(Cc1cnn(C2CCC2)c1)Cc1cccs1 891510741 YWMBYKZFGKQHTR-UHFFFAOYSA-N 287.432 3.858 30 20 CHED C=C1CC(c2noc(-c3ccc4c(c3)CCCC4=O)n2)C1 896877432 RDSISGJMBJZYJB-UHFFFAOYSA-N 280.327 3.689 30 20 CHED C=CCC1(NC(=O)N[C@H](c2ccncc2)C2CC2)CCCC1 898999470 DBXDCRYUFMCOFZ-INIZCTEOSA-N 299.418 3.721 30 20 CHED CC[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc(C#N)c1 902820273 QHTVJXHBAWAXQA-FJIDUMEYSA-N 298.430 3.803 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2cc(F)ccc2C)no1 904551053 KUEPYJDOPGQDOE-CYBMUJFWSA-N 275.327 3.540 30 20 CHED Brc1ccc(NN=C2CCCC2)cc1 912822115 KXWIDKIIDUQCJZ-UHFFFAOYSA-N 253.143 3.791 30 20 CHED C=CCOc1ccccc1C(=O)Oc1ccc(C)cc1OC 914294181 PAAAORLZMYDVDE-UHFFFAOYSA-N 298.338 3.788 30 20 CHED C[C@@H](C=NNc1ccccc1[N+](=O)[O-])c1ccccc1 916249935 FMJBPNKVHQFLAW-LBPRGKRZSA-N 269.304 3.796 30 20 CHED CCC/C(C)=C\C(=O)[C@@H](C#N)c1nc2ccccc2o1 920324153 LSCIHJNUIGDTPJ-UCQJPZFISA-N 268.316 3.750 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2cccc3c2CCC3)c1 920677813 KMIVHCQAIITXLZ-UHFFFAOYSA-N 295.313 3.543 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1cccc(-n2cccn2)c1 925187630 DRKWCGNKMGTJTF-CABCVRRESA-N 296.418 3.851 30 20 CHED N#CC1(CCCCN2CCc3ccccc3C2)CCC1 929124784 KNIZUJFSQZCNKL-UHFFFAOYSA-N 268.404 3.909 30 20 CHED CN(CCCCC1(C#N)CCC1)[C@H](CO)c1ccccc1 929504081 LNBFWCDRZDQUSB-QGZVFWFLSA-N 286.419 3.516 30 20 CHED C=C(C)CN(CC)C(=O)c1c[nH]cc1Cc1ccccc1 930117570 QQZVXXVIHIMSND-UHFFFAOYSA-N 282.387 3.644 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](C(C)(C)C)C(F)(F)F 933657108 HBBWINOCOYFHMZ-ZDUSSCGKSA-N 298.308 3.574 30 20 CHED CC1(CCC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 935181833 VXZBSVAYLDFWGJ-UHFFFAOYSA-N 294.398 3.754 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccc(C)cc2S1 1116821464 MDKWFLSTTBZHNM-ZBFHGGJFSA-N 287.428 3.579 30 20 CHED C=CCn1c(C(F)F)nnc1N1CC[C@@H](CC(C)(C)C)C1 1121699022 SBEAUESWVKSDMP-NSHDSACASA-N 298.381 3.664 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1C)c1ccc(F)cc1 1127463383 SUZQMXPVRFHEIG-QGZVFWFLSA-N 296.345 3.887 30 20 CHED Cc1cc(SCCN2CCC(C)CC2)ccc1C#N 1189581916 DBYGORUBPXHKRG-UHFFFAOYSA-N 274.433 3.691 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)c1ccc(C#N)cc1F 1262627195 LPRCPEAXCVKGTP-GFCCVEGCSA-N 274.339 3.562 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@@](C)(CC)C1 1286620420 LSGLZVXLIVUAGB-OAHLLOKOSA-N 296.846 3.780 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](CC)C1CCC(C)CC1 1289299981 XZZFJHSGWXKYLJ-SSHXOBKSSA-N 278.440 3.990 30 20 CHED Cc1cc(OC(=O)C(C)(C)Oc2ccccc2)ccc1C#N 1320915733 KMJJEMGZVSTVOM-UHFFFAOYSA-N 295.338 3.630 30 20 CHED CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nc2ccccc2[nH]1 1321354196 CDKXRJMDICPSRE-IOASZLSFSA-N 282.391 3.542 30 20 CHED CC(C)(C)ON=Cc1cnc(NC(=O)OC(C)(C)C)s1 1321684692 IMSMKOLSHABTPO-UHFFFAOYSA-N 299.396 3.639 30 20 CHED CC(C)CN(CCC#N)Cc1nc2c(s1)C[C@H](C)CC2 1323269872 PYWMFXVAWYECSS-CYBMUJFWSA-N 291.464 3.640 30 20 CHED CCc1cccc2c1N(C(=O)CC#Cc1ccccc1)CC2 1323871592 CHYMIBDRIIOOSR-UHFFFAOYSA-N 289.378 3.580 30 20 CHED N#CC1(c2ccccc2)CC(NCCC2CC(F)(F)C2)C1 1328090845 JMJCHDYUTNAWGK-UHFFFAOYSA-N 290.357 3.635 30 20 CHED C=CCCc1nnc(-c2cc(C)nc3ccccc23)o1 1328196175 GRMDQGUDWNZWEY-UHFFFAOYSA-N 265.316 3.712 30 20 CHED CC[C@@H](c1ccccc1)c1nnc(C#CC(C)C)o1 1329326516 TYLVYWNFWBQDLT-AWEZNQCLSA-N 254.333 3.619 30 20 CHED Cc1cccc([C@H]2CCN(C(=O)c3csc(C#N)c3)C2)c1 1330593440 ZDIMZKKSCGGITA-AWEZNQCLSA-N 296.395 3.558 30 20 CHED C=C(C)CCC(=O)N(CCC)Cc1ccc(C#N)cc1 1335645486 IYGKYDGMBVQQFP-UHFFFAOYSA-N 270.376 3.653 30 20 CHED N#CC1(COC(=O)CCCC(=O)c2ccccc2)CCCC1 1342651305 DCQRPJPMFXDKAM-UHFFFAOYSA-N 299.370 3.667 30 20 CHED C=C[C@H](CC)CC(=O)O[C@H](c1ccccc1)c1cnn(C)c1 1345925863 XTZDNNKZSTXOSN-RDTXWAMCSA-N 298.386 3.655 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cc3ccc(F)cc3s2)C1 1347136823 KMQQVIIDBOTGSN-CABZTGNLSA-N 289.331 3.889 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(-c2cn[nH]c2)cc1 1347332568 DHSUKOQVBDUUCI-UHFFFAOYSA-N 283.375 3.551 30 20 CHED Cc1cc(OCCCCC2(C#N)CCC2)cc(C)n1 1356057686 SGISPEKPEISILB-UHFFFAOYSA-N 258.365 3.941 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 1356481957 VUPUUTQFXJXLJI-JSGCOSHPSA-N 287.407 3.880 30 20 CHED N#Cc1cccc(C#N)c1N1CCc2cccc(Cl)c2C1 1458427233 HZGZPQSXPSUCSE-UHFFFAOYSA-N 293.757 3.646 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 1466354976 QGFIFURHEFBYRL-DLBZAZTESA-N 298.430 3.654 30 20 CHED C[C@H]1Cc2cc(CNc3cc(F)cc(C#N)c3)ccc2O1 1474236406 ZGUZEOBCLXQSKS-NSHDSACASA-N 282.318 3.633 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 1514859202 PXARHGKLLNKRSW-OAHLLOKOSA-N 274.408 3.808 30 20 CHED CC(C)C[C@H](C(=O)N(C)[C@H](C)CC#N)c1ccccc1 1518826093 SSRRGYFSFGTGHU-ZBFHGGJFSA-N 272.392 3.577 30 20 CHED C[C@H](CC#N)N(C)C(=O)C(C)(C)c1cccc(Cl)c1F 1518826698 WUADTBBOZMIXIO-SNVBAGLBSA-N 296.773 3.517 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2)c(C(C)C)n1 1530020088 FVOSWILAKKRQLP-UHFFFAOYSA-N 279.343 3.637 30 20 CHED Cc1c(Cl)cnc(N[C@H]2C[C@H]2Cc2ccccc2)c1C#N 1559109690 BAIVNVFNDAWPQD-CJNGLKHVSA-N 297.789 3.958 30 20 CHED N#Cc1cc(NC[C@H]2CCCC[C@H]2c2ccccc2)ncn1 1559190567 VSRJNDLGMGBDAJ-WBVHZDCISA-N 292.386 3.734 30 20 CHED N#Cc1ccc2c(c1)CCCN2CCCC1CCC1 1559870351 VBSKIFHXLXKVDM-UHFFFAOYSA-N 254.377 3.891 30 20 CHED C=C(Cl)CN1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 1560001211 ZFOVQCLZPIMCGE-QGZVFWFLSA-N 292.854 3.581 30 20 CHED N#CCc1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 1587601855 IQRJTKDMKFXIND-UHFFFAOYSA-N 298.773 3.977 30 20 CHED N#CC1(c2ccc(-c3ccccc3CC(=O)O)s2)CCC1 1601057591 BBYUOCZQWGRCRT-UHFFFAOYSA-N 297.379 3.987 30 20 CHED C=C(C)c1cccc(NCc2cc(C(=O)O)c(C)[nH]2)c1 1602772037 HMXAGRHOIXXVNR-UHFFFAOYSA-N 270.332 3.667 30 20 CHED Cc1nc(N[C@H](CCC#N)c2ccccc2)ccc1C(=O)O 1610560312 MAZQAWJCOKOHFT-OAHLLOKOSA-N 295.342 3.545 30 20 CHED Cc1nc(N(CC2CC2)C2CCCCC2)ccc1C#N 1611937088 YSVKWAOHKAEAOA-UHFFFAOYSA-N 269.392 3.811 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C#N)CCc1ccccc1 1628457248 QWEMRRTUNKSHEE-HLLBOEOZSA-N 284.403 3.548 30 20 CHED CCc1ccc(NC(=O)c2cc(C#N)[nH]c2C)cc1Cl 1640278945 OETSGIQQARVXOI-UHFFFAOYSA-N 287.750 3.663 30 20 CHED Cc1cccnc1[C@H](C)Nc1cccc(F)c1C#N 1643304956 OYYYAMCEEPITTQ-NSHDSACASA-N 255.296 3.574 30 20 CHED CC(C)C[C@H](C)OC(=O)N1CCCC(C)(C)[C@H]1C#N 1655248406 NZRQEUOLNFOXID-QWHCGFSZSA-N 266.385 3.572 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cc(C#N)ccn1 1658845972 JPTXISXVEGVNSM-ZFWWWQNUSA-N 271.408 3.600 30 20 CHED CC[C@H](CC#N)N[C@H](C)c1nccc2ccccc12 1664166439 AVCQEDHXVULXSZ-TZMCWYRMSA-N 253.349 3.578 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(-c2ncco2)c1C 1672396847 SDKWVAMLDYITOK-UHFFFAOYSA-N 291.738 3.524 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc(CC2CCC2)cc1 1776149392 NRFPMLPHPPBOGR-QGZVFWFLSA-N 287.403 3.538 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cccc(C(=O)O)c1F 1777465341 SXENEUXZXHTKOA-KTKRTIGZSA-N 284.286 3.728 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1[N+](=O)[O-] 16406031 UXGPOPZAGBYACA-RMKNXTFCSA-N 292.294 3.671 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2ccc(C#N)cc2F)cc1 30002573 KLQXSSWINVZCFA-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C[C@H]1CCCC[C@@H]1CNCc1cccc(OCC#N)c1 42858804 AQEOKFLQTSRVIG-GOEBONIOSA-N 272.392 3.505 30 20 CHED C=CCN(CC=C)Cc1csc(CCCC)n1 45914507 QBXOQMPKQVYPSL-UHFFFAOYSA-N 250.411 3.660 30 20 CHED CCCCN(CCCOc1cccc(C#N)c1)C1CC1 48993584 RZELKIVGHUGMNU-UHFFFAOYSA-N 272.392 3.592 30 20 CHED Cc1ccnc(Sc2ccc(C#N)c(C(F)(F)F)c2)n1 51331552 MBRXEGKMOYCCMZ-UHFFFAOYSA-N 295.289 3.827 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1 56587219 NTHKDXBWPLMUCH-QGZVFWFLSA-N 282.387 3.854 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)c1ccsc1 61361408 TUKWTNDUVHJJCL-GFCCVEGCSA-N 272.373 3.501 30 20 CHED N#CC1CCN(Cn2ccc(=S)c3ccccc32)CC1 68617141 OFRUMSRAJMPCHE-UHFFFAOYSA-N 283.400 3.564 30 20 CHED CCC[C@@H](Nc1ccc(C#N)cn1)c1ccccc1 73868909 XYRAPPUUWJZSES-OAHLLOKOSA-N 251.333 3.907 30 20 CHED C[C@H](NC(=O)CCC(C)(C)C)c1cccc(C#N)c1 75272940 PVYRQQYLNDZJEB-LBPRGKRZSA-N 258.365 3.562 30 20 CHED CC(C)c1ccccc1C(=O)Nc1cccc(C#N)c1 75912548 MOZJQQUFIATHGC-UHFFFAOYSA-N 264.328 3.934 30 20 CHED CCCCCCCCC(=O)NCCCc1cn[nH]c1C 88216513 RJJUEOHNHUMAJW-UHFFFAOYSA-N 279.428 3.518 30 20 CHED C=CCC[C@H](CCC)NCc1ccc([S@](C)=O)cc1 90221184 VUPRRBYEHQVWHN-HNAYVOBHSA-N 279.449 3.649 30 20 CHED CC[C@@H](C#N)NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 102352909 CJOMZJOFQFBNFH-KJJQSCHISA-N 296.292 3.527 30 20 CHED O=C1/C(=C/C2=Cc3ccccc3OC2)Cc2c(O)cccc21 102598702 HDSHEVHYFWUVDG-NTEUORMPSA-N 290.318 3.533 30 20 CHED CCOc1ccccc1CN(C)Cc1ccc(F)cc1C#N 103226706 LRULEGKQKYVAJS-UHFFFAOYSA-N 298.361 3.728 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc2c(s1)CCC2 106422587 BYKBIXQGKYZHSV-UHFFFAOYSA-N 290.432 3.829 30 20 CHED C[C@H](NC(=O)CC1=CCCCC1)c1ccc(C#N)cc1 106610687 IMCIYBFLGOMGKJ-ZDUSSCGKSA-N 268.360 3.626 30 20 CHED COc1cc(/C=C2\Cc3cc(F)ccc3C2=O)cc(OC)c1 114992368 FOQWKOPZNWEIMY-WLRTZDKTSA-N 298.313 3.665 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 116972759 IVDDWRZOEBEBHF-SQWLQELKSA-N 272.392 3.539 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(Cl)ccc1C 116997606 KBHTXKKZWKQRRZ-JTQLQIEISA-N 252.745 3.735 30 20 CHED C=CCN(Cc1ccc2cn[nH]c2c1)Cc1cccs1 119930615 UXHZKUGWRLILFU-UHFFFAOYSA-N 283.400 3.813 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@@H](C)c1ccc(F)cc1F 120843843 MRKMFQXXFQPECS-BZNIZROVSA-N 294.345 3.513 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](C=C)c1ccccc1 121768264 YGGODUXVNNUKEP-OAHLLOKOSA-N 255.361 3.547 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2C[C@]2(C)CC)s1 123498825 PCAUZHJHDNBDJL-FZMZJTMJSA-N 262.378 3.557 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC)c(OC(C)C)c1 129246017 NAZZIZQPHNIHTB-UHFFFAOYSA-N 289.375 3.615 30 20 CHED N#CCSCCCN[C@@H]1CCC[C@@H]1c1ccccc1 133466645 UZNJNCBAUBJDML-HZPDHXFCSA-N 274.433 3.559 30 20 CHED CCOc1cccc(CNCC(C)(C)CCC#N)c1 135150344 CVDATKKNQVVWED-UHFFFAOYSA-N 260.381 3.505 30 20 CHED CCC[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 135361032 JRPVONJGVDSJRM-HNNXBMFYSA-N 285.391 3.797 30 20 CHED CN(Cc1cccnc1)c1ccc(C(F)(F)F)c(C#N)c1 154078963 GJBKRNHBVHDYTB-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Cc1ccccc1Cl 155167186 BEJXOKUIUMSIMR-NEPJUHHUSA-N 265.784 3.599 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(F)ccc1OC 156734062 IBDZBMHCVTVMNK-UHFFFAOYSA-N 279.355 3.653 30 20 CHED CN(CCC(C)(C)C#N)Cc1ccc(OC(F)F)cc1 157364794 ACEBXPLVKCUTPX-UHFFFAOYSA-N 282.334 3.660 30 20 CHED CCCCCCCCNC(=O)Nc1ccc(N)cc1 161069290 PEKRDBXMFDFTLM-UHFFFAOYSA-N 263.385 3.751 30 20 CHED C=CCN(C)C(=O)c1sc2ccc(F)cc2c1C 161770048 WPWQLDLUUHDWBU-UHFFFAOYSA-N 263.337 3.607 30 20 CHED N#CCC[C@@H](Nc1cncc(Cl)n1)c1ccccc1 164337971 CXOAZBYJYBTKDA-GFCCVEGCSA-N 272.739 3.587 30 20 CHED C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C 164483448 OVJZYZQCBDAZQL-NXEZZACHSA-N 268.282 3.669 30 20 CHED CCN(Cc1c(O)ccc2ccccc12)C[C@@H](C)C#N 171065510 SXDSOWQSHTTYQB-ZDUSSCGKSA-N 268.360 3.527 30 20 CHED N#CCCCCNC(=O)c1sc2ccccc2c1Cl 171506676 IMROTEQGVBMIQS-UHFFFAOYSA-N 292.791 3.978 30 20 CHED CC[C@H](NCCCCC#N)c1ccc(F)cc1F 172620644 RLEJZYZWZXKEGY-AWEZNQCLSA-N 252.308 3.699 30 20 CHED C[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc(C#N)c1 174445226 AXFVOBBXLSTACQ-CYBMUJFWSA-N 291.354 3.537 30 20 CHED Cc1csc([C@H](C#N)C(=O)CC2CCCCCC2)n1 175081475 KWUTURCMWOPOBL-CYBMUJFWSA-N 276.405 3.988 30 20 CHED C=CCCCC(=O)Oc1cccc(NC(=O)c2ccco2)c1 175703559 UNZOQZNTTKOMFV-UHFFFAOYSA-N 299.326 3.794 30 20 CHED CC(C)N(C)C(=O)[C@@H](C)S[C@H](C)c1ccc(C#N)cc1 177852083 MTBDUQUSVJYHOX-CHWSQXEVSA-N 290.432 3.608 30 20 CHED N#Cc1ccc(OCC(=O)c2ccc(Cl)s2)c(F)c1 178342901 HWPHYJCUDVWBFJ-UHFFFAOYSA-N 295.722 3.674 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(CCC#N)CCC(C)C 178534543 CCGJVACVUGFMBJ-UHFFFAOYSA-N 298.390 3.660 30 20 CHED Cc1cc(CNC(=O)Nc2cccc(C#N)c2C)ccc1F 178576842 CVQQUSCSPOINHB-UHFFFAOYSA-N 297.333 3.636 30 20 CHED N#Cc1cccc(OCCN[C@@H](c2ccccc2)C2CC2)c1 179103199 HZICXLMTQRHYER-IBGZPJMESA-N 292.382 3.678 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCCOCC1 180181427 KWTKUDKWZRSYRC-HNNXBMFYSA-N 269.429 3.812 30 20 CHED C=CCSCCN[C@H](C)c1sc(CC)nc1C 180454184 VTIXZNKCKSPEOY-SNVBAGLBSA-N 270.467 3.584 30 20 CHED CCC(CC)[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccccc1 181224196 DIXPCWCYWJSNEE-KRWDZBQOSA-N 295.386 3.794 30 20 CHED N#CCOc1cc(F)ccc1NC1CCCCCC1 181544949 AOTMIUQUXDMPJV-UHFFFAOYSA-N 262.328 3.863 30 20 CHED C[C@H]1CCCC[C@H]1CN(CCC#N)Cc1ccccn1 183048138 ADFSDEMQVZKGNT-HOTGVXAUSA-N 271.408 3.624 30 20 CHED C=CCC[C@H](C)N[C@@H](COCC(C)C)c1ccco1 184199494 JLFYLUNAJMTOOA-GJZGRUSLSA-N 265.397 3.938 30 20 CHED C=CCC(CC=C)C(=O)NCC1(CCOC)CCCCC1 185386321 LNOHCXHXKKYCHF-UHFFFAOYSA-N 293.451 3.858 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)nc1)CC2 186421808 ZPBHHKQACOCHAG-ZROIWOOFSA-N 267.303 3.742 30 20 CHED CCN(CCCCC#N)[C@H](C)Cc1ccsc1 187795834 TXUUIIYVKUQPBH-CYBMUJFWSA-N 250.411 3.695 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-n2cccn2)c(F)c1 190766603 VZAUPQNIZKMJHO-MRXNPFEDSA-N 287.338 3.552 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(OC)c(OC)c2)no1 191158727 JQLCFGMOSLBNBH-MRXNPFEDSA-N 288.347 3.608 30 20 CHED C=CCCC[C@H](C)NCc1cccc(OC)c1F 192707742 FTKNNKYXMDHFNZ-LBPRGKRZSA-N 251.345 3.669 30 20 CHED C[C@@H](NCCc1c[nH]c2ccccc12)c1cccc(C#N)c1 192934270 UFXABCLSSFEDPP-CQSZACIVSA-N 289.382 3.933 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C(C)(C)C#N 193776113 MZTQEMXUZZJUEB-CYBMUJFWSA-N 252.402 3.649 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)[C@@H](O)c1ccccc1 220249111 SFXYCGSDCAGERV-MAUKXSAKSA-N 291.435 3.975 30 20 CHED Cc1ccc(C#N)cc1OCc1ccc(C#N)cc1Cl 220978979 YENLACGNRUABSS-UHFFFAOYSA-N 282.730 3.971 30 20 CHED COc1cccc([C@H](C)NCc2ccc(F)c(C#N)c2)c1 223629366 AEEWMRVDKUKVKO-LBPRGKRZSA-N 284.334 3.557 30 20 CHED CN(Cc1ccco1)c1ccc(C#N)c(Br)c1 228178191 YCSIJYXSXWGMRX-UHFFFAOYSA-N 291.148 3.550 30 20 CHED C#CCCCCNC(=O)C1CCC(CCCC)CC1 229745691 JIEDKDKYMLFYDK-UHFFFAOYSA-N 263.425 3.903 30 20 CHED CN(C(=O)c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 231632514 DJUADDBJCSCJQY-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CCCCCCCCCCn1cccc(C#N)c1=O 231784526 BONFMQVKRNFCGO-UHFFFAOYSA-N 260.381 3.861 30 20 CHED CCC(CC)(CC)NCc1ccc(C#N)c(OC)c1 232838441 FVJGRHWMQGRVDS-UHFFFAOYSA-N 260.381 3.625 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1nc(C(C)(C)C)no1 248808256 BXSVNCSJYVOAEC-SDDRHHMPSA-N 265.401 3.618 30 20 CHED O=C1CCCCN1c1cccc(N=Cc2ccccc2O)c1 255618055 LYKSWQUXEWUEHG-UHFFFAOYSA-N 294.354 3.660 30 20 CHED CCCCCCC(=O)NC1(c2cccc(C#N)c2)CC1 269609560 LMGQCXQOMWEMJO-UHFFFAOYSA-N 270.376 3.634 30 20 CHED Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 271460331 PQYLGWYESKAOBC-KGLIPLIRSA-N 265.360 3.674 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1cccc(F)c1F 272023612 NPKFGVFFDULOFL-JTQLQIEISA-N 252.308 3.555 30 20 CHED CC[C@@H](CC#N)NC(=O)CCc1ccc(Cl)c(Cl)c1 273881190 QZFZJPGMYIUINX-NSHDSACASA-N 299.201 3.734 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Cc1ccccc1Cl 276438545 SOJQVARCBDUTDK-LBPRGKRZSA-N 265.784 3.553 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1ccc(OC(F)F)cc1 278302891 IDYUNMPRTAPOEJ-JTQLQIEISA-N 297.301 3.832 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1c(F)cccc1Cl 278616393 MYXHIGFUSVARIJ-AXFHLTTASA-N 266.747 3.822 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)nc1C 279524268 PRQZFQHMYGNOGV-CYBMUJFWSA-N 252.745 3.584 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccc(F)cc1 280523471 BFOWRYZFUHZBFP-XIRDDKMYSA-N 277.383 3.848 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C)cc1 280916290 SSCCBIUYFVVWJB-OIISXLGYSA-N 259.393 3.627 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 287258870 BYSGOIVJDNBFBM-MOPGFXCFSA-N 298.430 3.798 30 20 CHED CC[C@@H](CC#N)NC(=O)CCSc1cccc(Cl)c1 288672196 HRJMCFXOYXUUER-LBPRGKRZSA-N 296.823 3.631 30 20 CHED C=CC[C@@H]1N(Cc2cnc([C@@H](C)O)s2)CCCC1(C)C 289850655 VKTLJYCVBJKOLW-OCCSQVGLSA-N 294.464 3.763 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccccc1 291275072 LRPNNNOTLFKTGJ-NEPJUHHUSA-N 289.272 3.711 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](COc2ccccc2)C1 293503810 OYWFRPQBRDGEMI-OAHLLOKOSA-N 287.403 3.516 30 20 CHED C=CCOc1ccccc1CNCc1ccsc1C 293654998 STDURQREZVKRME-UHFFFAOYSA-N 273.401 3.911 30 20 CHED C=CC1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 301237673 IKWZQRVSMYXOKV-UHFFFAOYSA-N 283.331 3.545 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(c2cccc(F)c2C#N)C1 302121576 GIVGTJKNBACACM-PXAZEXFGSA-N 281.334 3.680 30 20 CHED C=C(Cl)CN(C)Cc1ccc(C(F)(F)F)cc1 302836275 FLVOTPDNTVZUHX-UHFFFAOYSA-N 263.690 3.890 30 20 CHED CCO[C@@H](CNc1c(C#N)cccc1C#N)c1ccccc1 302838697 YPMDFZYTAPUVOZ-KRWDZBQOSA-N 291.354 3.620 30 20 CHED N#Cc1ccc(N[C@H]2CC=CCC2)nc1N[C@H]1CC=CCC1 302869979 BGBKFHYUWYAKRF-HOTGVXAUSA-N 294.402 3.994 30 20 CHED CC[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)CC1 310285618 QLYZQFAORULVKQ-SECBINFHSA-N 269.801 3.685 30 20 CHED C=CCCCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 311679632 BCMZFSISIBHFQC-HNNXBMFYSA-N 262.353 3.992 30 20 CHED N#CCOc1ccc(NCc2ccsc2Cl)cc1 312557179 MQNJZBHGGQWSGW-UHFFFAOYSA-N 278.764 3.916 30 20 CHED N=C(O)C[C@H](/N=C(/O)[C@@H]1CCCSC1)C1CCCCC1 329783271 UZKCZFVIFRFGDN-OLZOCXBDSA-N 298.452 3.960 30 20 CHED CC[C@H](/N=C(/O)N1CCC[C@H]1CC)c1c(C)noc1C 330470860 MUFJBEDTIDTWSO-OLZOCXBDSA-N 279.384 3.531 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1/C(O)=N/[C@H](C)C[C@H](C)O 330792359 DMDPSXLRMQJMOH-BDAKNGLRSA-N 294.782 3.594 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 331395797 BWPTXXVPASJDAY-ZNMIVQPWSA-N 291.439 3.536 30 20 CHED N#Cc1cc(Oc2ccc(C3CC3)cc2Cl)ncn1 334708908 MXCLZMQETNFPPT-UHFFFAOYSA-N 271.707 3.671 30 20 CHED N#CCCCC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 335707259 TTXDVGMYTSRDBX-LJQANCHMSA-N 296.414 3.577 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2sccc2C2CC2)C1 336418237 MFGIUAGRUFJDNA-BDJLRTHQSA-N 288.416 3.828 30 20 CHED CCCc1nc(CSc2ccc(C#N)cn2)cs1 337740928 UPBPNOIELVCEPE-UHFFFAOYSA-N 275.402 3.655 30 20 CHED N#CCc1ccc(CSCc2nccs2)cc1 342563447 HFDQXRORPOYALI-UHFFFAOYSA-N 260.387 3.643 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1N(C)C 344076269 SVTDKBSNVCHBQY-HNNXBMFYSA-N 293.414 3.817 30 20 CHED CO[C@@H]1[C@H](C)[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1(C)C 344327337 LMVKGHMMRNZMHU-GQAVTEOGSA-N 298.430 3.585 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)s1 345388104 YOYUUIHTQLWYQZ-NSHDSACASA-N 295.367 3.731 30 20 CHED C=C(C)CN(C)C(=O)c1cccc2c1ccn2CC(C)C 346588103 WZAOKLZKZOJCDH-UHFFFAOYSA-N 284.403 3.945 30 20 CHED Cc1cc(Cl)c2c(c1)[C@H](NCCCC#N)CCCO2 346804327 HDYHVLOOVRXYME-CQSZACIVSA-N 278.783 3.756 30 20 CHED COC(=O)[C@@H](Sc1ccccc1C#N)c1ccsc1 347771806 AIBALWKBFBGPJX-ZDUSSCGKSA-N 289.381 3.626 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)C1CC1 347778527 NXSJUHNDIKIFQH-MRVPVSSYSA-N 265.765 3.671 30 20 CHED Cc1ccc(NC(=O)NCC(C)(C)CCC#N)c(C)c1 348150180 CHVHIWNWWJVRKO-UHFFFAOYSA-N 273.380 3.755 30 20 CHED COc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1 353308661 UWOZEBXDVBJAPC-HNNXBMFYSA-N 294.354 3.721 30 20 CHED C=CCCC1(C(=O)N2CCC(OC(C)(C)C)CC2)CC1 356416596 WLFVMWPXIFUFHP-UHFFFAOYSA-N 279.424 3.539 30 20 CHED C[C@H]1CN(Cc2cc(C#N)cs2)c2ccccc21 356989706 YQLNRKSECQXDGE-NSHDSACASA-N 254.358 3.743 30 20 CHED C=CCCC1(C(=O)Nc2sc(C)c(C)c2C#N)CC1 361446591 TWAONPBBXSBAIR-UHFFFAOYSA-N 274.389 3.922 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 367187359 PCOVCXABPYLDPQ-BHADISHBSA-N 290.357 3.883 30 20 CHED N#CCC[C@@H](NC(=O)N1CC2(CCCC2)C1)c1ccccc1 373547471 VCLHLGVTGHEBDJ-MRXNPFEDSA-N 297.402 3.617 30 20 CHED C[C@H](CC(=O)N1CCC[C@@H](CC#N)C1)CC(C)(C)C 397571178 CMRRASDWDCXWFZ-KGLIPLIRSA-N 264.413 3.601 30 20 CHED C=CCCC[C@@H](C)Nc1ccc(OC(F)F)cn1 398171296 YUHKGFRMMUAXTF-SNVBAGLBSA-N 256.296 3.840 30 20 CHED C[C@H]1CN(Cc2cc(C#N)ccc2F)c2ccccc21 398488600 HIMKKTHKXABQQA-LBPRGKRZSA-N 266.319 3.821 30 20 CHED C[C@@H](O)CCc1ccc(OCc2ccc(CC#N)cc2)cc1 398991258 LCMMJLDYYNXYJZ-OAHLLOKOSA-N 295.382 3.645 30 20 CHED CCCC[C@@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl 410011427 MYZWNCXGDLBFRL-RISCZKNCSA-N 278.783 3.847 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(OCCC)c1 410125838 QKGMVMVXJQHKOF-CQSZACIVSA-N 261.365 3.560 30 20 CHED C=CC[C@@H](CC)NC(=O)CSc1cc(C)ccc1C 410136300 IPVNGOCUMGIQPQ-CQSZACIVSA-N 277.433 3.866 30 20 CHED N#Cc1ccc(F)cc1CSCCOCC1CCC1 419641354 JFIUSLQNXGMZFV-UHFFFAOYSA-N 279.380 3.747 30 20 CHED COC1([C@H](C)NCc2ccc(C#N)c(F)c2)CCCCC1 421865713 ZWLNTLZUGZQLJD-ZDUSSCGKSA-N 290.382 3.525 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2ccc(Cl)cc2C1 424749674 RGWMICRXGGUTDM-UHFFFAOYSA-N 277.795 3.827 30 20 CHED CC(C)(C)[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 425649424 JQHTVKMJXOBBBI-NUEKZKHPSA-N 299.418 3.765 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn(CCC(C)C)c1CC 426883536 ORBWVIDTZXAXBU-UHFFFAOYSA-N 291.439 3.530 30 20 CHED COc1ccc(CCNc2cccc(C#N)c2C)cc1 431345315 SSTVBNHNCVTFSR-UHFFFAOYSA-N 266.344 3.530 30 20 CHED C/C(=C\c1ccccc1)CN(C)c1c(C#N)cccc1C#N 436357097 CPUYVIUSIIOMCC-RVDMUPIBSA-N 287.366 3.970 30 20 CHED CC1=C(C(=O)Nc2ccc(Cl)c(C#N)c2)CCC1 437365188 NNTVFLBEFLOKRA-UHFFFAOYSA-N 260.724 3.651 30 20 CHED C=CCCC[C@H](C)N[C@@H]1Cc2[nH]c3ccccc3c2C1 442834522 DNWYIKPBQOCLIA-KBPBESRZSA-N 268.404 3.970 30 20 CHED N#Cc1cccc(NCc2cnc(C(F)(F)F)s2)c1 443982416 CCPLYRQTUQVWOI-UHFFFAOYSA-N 283.278 3.646 30 20 CHED C=CCN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 444821643 ZXWNTGGIZQGCTD-SNVBAGLBSA-N 267.653 3.858 30 20 CHED CC[C@H](N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C)c1ccc(C#N)cc1 447581566 VFLKYKXWISUSNL-KKBVYLPWSA-N 286.419 3.658 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 448860841 QQCINKNIOXBNDA-WCQYABFASA-N 297.320 3.890 30 20 CHED CCN(CC1(C#N)CCC1)[C@@H](C)c1ccc(C#N)cc1 450285124 MSDZDQUAWCSLKW-AWEZNQCLSA-N 267.376 3.635 30 20 CHED CC(C)Oc1ccc2[nH]ccc(=NCCCCC#N)c2c1 450311307 CWVCDFMAZUUJRI-UHFFFAOYSA-N 283.375 3.550 30 20 CHED CC[C@H](c1ccc(Cl)cc1Cl)N(C)CC#N 450348846 SOZGPZRFKOWVHK-GFCCVEGCSA-N 257.164 3.900 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccsc1Br 451428226 XXUCLUIJCBVIFH-MRVPVSSYSA-N 288.210 3.595 30 20 CHED C=C(C)CCNC(=O)CCCCCc1ccc(OC)cc1 452725774 TUUVEQHWMDROAL-UHFFFAOYSA-N 289.419 3.881 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 452778637 YJKUDEAURMTMBP-ZOBORPQBSA-N 287.403 3.835 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1c(F)cccc1F 455373290 VWQNXHYUDRJTDQ-NSHDSACASA-N 296.361 3.879 30 20 CHED C=C(CC)CNC(=O)Cc1coc2cc(C)c(C)cc12 456826433 IYQBPSFWKUTORK-UHFFFAOYSA-N 271.360 3.675 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)C[C@H]1C 460949223 MGQBLEPMASDKOP-ZIAGYGMSSA-N 290.455 3.678 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)CCc1ccc(Cl)cc1 466366696 KQWDVXSMEBDHMD-OAHLLOKOSA-N 294.826 3.879 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCCC(C)(C)C1 466376374 HLLMBEPQUQBODN-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=CCCN(C)C(=O)CCCCCc1ccc(F)cc1 466629964 WAVSUULYDGNKJO-UHFFFAOYSA-N 277.383 3.963 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cccc([N+](=O)[O-])c1C 467404989 OJWKLWILLMOWRC-CHWSQXEVSA-N 262.353 3.909 30 20 CHED C[C@H](CC1CCCC1)NCCc1cccc(C#N)c1 467430425 QQHGASOYSTURKO-CQSZACIVSA-N 256.393 3.659 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1NC1CCCCC1 479283983 IHCLCWUFWAGMNZ-CYBMUJFWSA-N 272.392 3.736 30 20 CHED C[C@H](SCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C 479709960 GYKLZVTVCBVILE-JTQLQIEISA-N 295.379 3.661 30 20 CHED C=CCc1cc(CN2CC[C@@H](C)[C@H]2CC)cc(OC)c1O 482496232 OBZZRMXSMBBULM-CZUORRHYSA-N 289.419 3.750 30 20 CHED CC(C)=CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 483797015 WYGXLGLIJWRXAT-UHFFFAOYSA-N 297.280 3.665 30 20 CHED COCc1cccc(COc2cc(Cl)cc(C#N)c2)c1 487422952 YADOCTHMAPSNLT-UHFFFAOYSA-N 287.746 3.937 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC[C@H](C)C3)c2c1 487935653 RNWQONQGAXEKNO-ZDUSSCGKSA-N 265.360 3.651 30 20 CHED Cc1ccccc1[C@@H]1CCCN1c1ccc(C#N)c(C)n1 488062348 GFCNBOBBTUQGRF-KRWDZBQOSA-N 277.371 3.912 30 20 CHED CC1(C)CN(c2nccc(C#N)c2Cl)[C@H]1c1cccnc1 488498235 CCOWMWUSPKIEMY-AWEZNQCLSA-N 298.777 3.589 30 20 CHED C=C[C@H]1CCCCN1C(=O)COc1cccc(C(C)C)c1 488845891 RCPLWGVBFIBSBO-INIZCTEOSA-N 287.403 3.756 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(F)c1Cl 495338197 PRWUKDRAASJTAA-SECBINFHSA-N 270.735 3.955 30 20 CHED C[C@H](NCCOc1ccccc1C#N)[C@@H](C)c1ccccc1 495404321 YJHVJIOLGOJGES-CVEARBPZSA-N 294.398 3.719 30 20 CHED C=C(C)CN(C)Cc1cc(C)ccc1OC(F)F 497159609 HBDQUKNDGNWQEO-UHFFFAOYSA-N 255.308 3.604 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@H](C)C[C@H](C)C1 500848104 AVMGOKBTFLPIBN-GJZGRUSLSA-N 287.403 3.760 30 20 CHED CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 503417178 DTAHZABPZUYGCX-ZIAGYGMSSA-N 284.403 3.983 30 20 CHED C=C(C)CCc1noc(CCc2cccc(F)c2F)n1 508606438 WKFCCBWTXDWSAZ-UHFFFAOYSA-N 278.302 3.642 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)C[C@H](C)c1ccccc1 509505028 CQXLGTCELFQVGG-AWEZNQCLSA-N 292.382 3.742 30 20 CHED CC1(C(=O)N[C@@H](C#N)c2ccccc2F)CCCCCC1 511608146 CGICANUCOJOWFA-HNNXBMFYSA-N 288.366 3.867 30 20 CHED C=C(CNC(=O)N1CC[C@@H]1c1ccccc1)c1ccccc1 512674600 XZROBEWNFYRZTG-GOSISDBHSA-N 292.382 3.856 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC(C)=C(C)C1 519129828 PCUWJORYHGQEBO-UHFFFAOYSA-N 294.402 3.678 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc(OC)c(O)c1 519484718 YDTVJJQJWFNKLO-CHWSQXEVSA-N 263.381 3.796 30 20 CHED Cc1cc(C)c(CNC(=O)Nc2cccc(C#N)c2)c(C)c1 521184000 JAEBSABMMLOUHZ-UHFFFAOYSA-N 293.370 3.805 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1C[C@@H]1C 521705510 XHVQPCKOSUBCQM-WDEREUQCSA-N 283.824 3.962 30 20 CHED C=CCOc1cccc(CN(C)[C@@H](C)CCSC)c1 536659956 PDGCGYJVOFYZOJ-AWEZNQCLSA-N 279.449 3.825 30 20 CHED C=C(CC)CSCC(=O)Nc1ccc(Cl)cc1 536880598 DXQQXVRPVMHHAP-UHFFFAOYSA-N 269.797 3.978 30 20 CHED C[C@@H]1CN(c2cnccc2C#N)CC[C@H]1c1ccccc1 537657332 NGKQABRXWPBUGI-RHSMWYFYSA-N 277.371 3.583 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(N(C)C)cc1C 538338416 LTLCWLXFUJTRLO-CQSZACIVSA-N 289.423 3.927 30 20 CHED C=CC[C@H](C)[C@@H](C)NC1(c2ccc3c(c2)OCO3)CC1 538552642 UZRQAAKNJGPTBZ-QWHCGFSZSA-N 273.376 3.595 30 20 CHED C=C(CC)CN[C@H](C)c1cc(OC)c(OC)cc1C 540397814 JOJLEPKNLIRPRV-CYBMUJFWSA-N 263.381 3.629 30 20 CHED CC(C)(C)[C@H](NCc1ccccc1C#N)C(F)(F)F 540917408 JVLCNOVMXDXHSW-LBPRGKRZSA-N 270.298 3.625 30 20 CHED CC(C)[C@H](CC(=O)N1CCC(CC#N)CC1)c1ccccc1 543837113 DJQMPKDPTGNGEK-SFHVURJKSA-N 298.430 3.969 30 20 CHED CC(C)[C@H](NC(=O)[C@@H](C)C#N)c1ccc(C(C)(C)C)cc1 549140379 HOCHVUVEZCAJBH-BBRMVZONSA-N 286.419 3.957 30 20 CHED C=CCN(CC=C)C(=O)c1c(C)c(CC)nc2ccccc12 550151037 VCTKCAAPXRTTQJ-UHFFFAOYSA-N 294.398 3.920 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@H]1CCCC[C@@H]1C 551182651 YNPABAMKACBTBK-UONOGXRCSA-N 251.414 3.921 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 551363841 DCPNXXFRTHIUOV-KBPBESRZSA-N 259.393 3.897 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cn1 554074203 VZBMDRLNQIJVGW-HZPDHXFCSA-N 271.408 3.648 30 20 CHED C=CCCCCSCc1nnc2n1CCCCC2 557268583 IDQNGDLACPXWMG-UHFFFAOYSA-N 265.426 3.594 30 20 CHED N#Cc1ccnc(N2CC=C(c3ccc(Cl)cc3)CC2)c1 557603198 CIJNNFFIQUVUQQ-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCO[C@@H](C(C)C)C1 558010177 GOTMWSQVBLIHIB-ARFHVFGLSA-N 253.430 3.915 30 20 CHED Cc1nc(SCC(C)(C)CC#N)c2ccccc2n1 563440758 SAIGMSOUQMXTSP-UHFFFAOYSA-N 271.389 3.970 30 20 CHED CCC(=O)c1cc(Cl)ccc1OC[C@@H](C#N)CCC#N 572784640 IIOZDCPKIQYNJU-LLVKDONJSA-N 290.750 3.755 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CCC=C(C)C1 573409120 LNGWHMMKWOFEJB-UHFFFAOYSA-N 294.402 3.596 30 20 CHED C[C@@H](C1CC1)n1cc(N[C@H]2CCc3ccc(C#N)cc32)cn1 573529657 HDLIEQYNNNCDSD-SGTLLEGYSA-N 292.386 3.825 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1cc(C)nn1CCC#N 577348624 NFLZVLFIJKQNIC-AWEZNQCLSA-N 290.411 3.506 30 20 CHED CC[C@@H](CC#N)NCCCc1ccccc1Br 578450814 MHBWKWDPOQMZGV-ZDUSSCGKSA-N 295.224 3.664 30 20 CHED Cc1ccccc1C(=O)Nc1cc(C#N)c2ccccc2n1 580122708 MBJHFKGPGKHDJX-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC1(C)CCCN(Cc2cc(-c3ccccc3)on2)[C@H]1C#N 582733929 OENMPGCABRIQER-KRWDZBQOSA-N 295.386 3.856 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H]1Cc1ccccc1 588269314 SVKNXBWYXPXQIY-KRWDZBQOSA-N 284.403 3.694 30 20 CHED N#CCCCCCC(=O)NCCc1ccc2ccccc2c1 588283801 PMIGAGGFKUMJAZ-UHFFFAOYSA-N 294.398 3.973 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC(C)(C)CC2)c1 588942757 LKMYIXRQHZTCPZ-UHFFFAOYSA-N 288.391 3.905 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)N1CCC[C@@](C)(C#N)C1 590326632 BUXDLPPMQHWZKI-SFHVURJKSA-N 299.418 3.533 30 20 CHED Cc1cc(Cl)cc(CN2CCC[C@@](C)(C#N)C2)c1 590362428 HGDUDIGFFNIAKL-HNNXBMFYSA-N 262.784 3.774 30 20 CHED N#Cc1nc(N2CCC[C@H]2C2CCCC2)sc1Cl 590573630 DWYZPSNPWWTSOM-NSHDSACASA-N 281.812 3.827 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1OC 590989054 GPDMOXIMBFGKDS-KBPBESRZSA-N 286.375 3.722 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NCC(C)(C)CC#N 591243353 ZUKSUHCCQVMKEY-CJNGLKHVSA-N 256.393 3.839 30 20 CHED Cc1ccc(CC(C)(C)NC(=O)CCCCCC#N)cc1 591314304 NLEHLBRRCSYXQU-UHFFFAOYSA-N 286.419 3.906 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 593593740 FGTKXANTVINGDY-YGRLFVJLSA-N 296.773 3.842 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 593682742 JRGYDAGHBDBHSI-XJKSGUPXSA-N 284.403 3.756 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C1CCC1)C1CCC1 594038293 OCSMNOLVLWSXPF-AWEZNQCLSA-N 296.414 3.670 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1ccc(C#N)cc1F 595010294 GITUKNZEKBISGG-YCPHGPKFSA-N 272.367 3.612 30 20 CHED Cc1nc(C)c([C@H](C)N(C)CCc2ccc(C#N)cc2)s1 595314888 WBWXGOQLOYHWBR-ZDUSSCGKSA-N 299.443 3.867 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1CCc1ccc(C#N)cc1 595429727 JGSUDQXNIADBGT-DOMZBBRYSA-N 296.336 3.764 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@H](CC#N)C1 595510330 ASRCLSQLUVGJSS-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED N#CC[C@H]1CCCN(CCCSCc2ccccc2)C1 595621697 XSFVXUSYAQIGPP-MRXNPFEDSA-N 288.460 3.936 30 20 CHED Cc1cccc2c1CN(c1nc(C#N)c(Cl)s1)CC2 596206849 BZWSLFBFYLEFAN-UHFFFAOYSA-N 289.791 3.539 30 20 CHED N#CCC1(CSCc2nc(-c3ccccc3)no2)CC1 596327534 RVNOBVLASXSDKY-UHFFFAOYSA-N 285.372 3.664 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)CC1 597545583 QOHSPROCONHMSR-HUUCEWRRSA-N 276.424 3.936 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](CC#N)C1 597911637 ALVPGKJYDZTOLX-CVEARBPZSA-N 276.424 3.745 30 20 CHED CCOC(=O)[C@@H](CC)S[C@@H](C#N)CCc1ccccc1 601078186 HTOUAQBLUNFCMQ-HUUCEWRRSA-N 291.416 3.586 30 20 CHED C[C@H](CCc1c[nH]c2ccccc12)NCCCCC#N 601267214 IMMKHFWBAAXGDA-CQSZACIVSA-N 269.392 3.772 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc(-c2ccccc2)oc1C 602354429 JVIVUPWUWXAYQS-AWEZNQCLSA-N 282.343 3.629 30 20 CHED C[C@H](CCC#N)CNCC[C@@H]1CCc2ccccc21 602673762 NEWYEXQUASENCF-ZBFHGGJFSA-N 256.393 3.636 30 20 CHED CC(C)N(CCC#N)C(=O)CSc1ccc(Cl)cc1 603897342 UENKRTHLEGCPOB-UHFFFAOYSA-N 296.823 3.583 30 20 CHED CC#CCSc1nc2ccccc2n1C(F)F 607435093 RYFFGXAWNGCIAK-UHFFFAOYSA-N 252.289 3.547 30 20 CHED N#Cc1cccc(CN[C@H]2C[C@H]2C2CCCCC2)c1 610271481 NCKRNYKUMAIKMO-IRXDYDNUSA-N 254.377 3.617 30 20 CHED C[C@@H](NCc1ccnc2ccccc12)c1cccc(C#N)c1 610344930 MZVJRFPZBDCNJR-CQSZACIVSA-N 287.366 3.957 30 20 CHED Cc1ccc(CCN[C@@H]2CCCc3cc(C#N)ccc32)o1 611390792 SELVTUMGQMKLJA-GOSISDBHSA-N 280.371 3.669 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@H]1CCc2ccccc21 611548962 AFKKBTXCXZACHH-GOSISDBHSA-N 276.383 3.720 30 20 CHED C=CCCNC(=O)CCCC(=O)c1c(C)cc(C)cc1C 617614558 FFGWFGVPRNMJQX-UHFFFAOYSA-N 287.403 3.657 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccnc3ccccc23)C1 617788322 GLAYPWMKZZNXIH-CQSZACIVSA-N 280.371 3.663 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnc2ccsc2c1 620858294 DDYLVOMTQJAPOU-UHFFFAOYSA-N 274.389 3.771 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)C(C)(C)C 622945001 OITWZYUDOXMMFC-AWEZNQCLSA-N 289.419 3.687 30 20 CHED C=CCC1(NCc2noc(C(C)(C)C)n2)CCCCC1 625936896 BAXIROBAFUISJG-UHFFFAOYSA-N 277.412 3.736 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](CCC)c1cccc(Cl)c1 626066271 CGYPNKQBXZJWHP-FZMZJTMJSA-N 265.784 3.914 30 20 CHED C=CCC1(NC(=O)Nc2cccc3c2OCC3)CCCC1 626689248 KULWNUSHOPXBHS-UHFFFAOYSA-N 286.375 3.632 30 20 CHED C=CCN(CCc1ccccc1)[C@@H](c1nccn1C)C1CC1 637974594 PHIREAQQQQUWOZ-GOSISDBHSA-N 295.430 3.602 30 20 CHED C=CCC[C@H](NCc1ccc(CO)cc1)c1ccco1 647322483 XVIURXRTZRNUGM-INIZCTEOSA-N 271.360 3.569 30 20 CHED C=CCC(CC=C)C(=O)N1c2ccccc2NC(=O)C1(C)C 653849133 CEJZTJFAHUISKL-UHFFFAOYSA-N 298.386 3.519 30 20 CHED C=CC(C)(C)C(=O)N(Cc1cccc(OC)c1)CC(C)C 658505328 ZHIOGBIVMAYJJS-UHFFFAOYSA-N 289.419 3.892 30 20 CHED C=CCCC(C)(C)NC(=O)NCCC1C[C@H](C)O[C@@H](C)C1 664845333 NELIRKDMRWRITL-KBPBESRZSA-N 296.455 3.624 30 20 CHED C=CCCCCCN(C)C(=O)CCCc1cccnc1 669048849 DOBRPTXPMLXTIC-UHFFFAOYSA-N 274.408 3.609 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1ccncc1 671724650 YCPYNDZREZCVBL-MRXNPFEDSA-N 298.434 3.998 30 20 CHED C=C(C)COc1cc(CN2[C@H]3C=CC[C@H]2CC3)ccc1OC 678342310 ZULPFTCDBLVTCW-IRXDYDNUSA-N 299.414 3.943 30 20 CHED CS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2C)C1 687962974 RDNNOOTUQSVYGT-JKSUJKDBSA-N 274.433 3.583 30 20 CHED COc1cccc(C=NNc2ccc(OC(F)F)cc2)c1 726430191 WTPUECRRQUSWGC-UHFFFAOYSA-N 292.285 3.743 30 20 CHED C#CCCCOC(=O)CSc1ccc(C(C)C)cc1 727040600 BPGWSYQLAXDEKS-UHFFFAOYSA-N 276.401 3.859 30 20 CHED C#Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)nc1 728800278 RUYDTGXIKBMYJK-UHFFFAOYSA-N 291.137 3.622 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1F 729149794 OUSQEUZMNJWPLB-YCRREMRBSA-N 285.274 3.938 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1F 729151819 YBLMCACTUAMFSS-UTCJRWHESA-N 274.266 3.875 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cccc3c2OCO3)c1 730436965 OBYITDQMQAVTMS-SREVYHEPSA-N 280.323 3.928 30 20 CHED Cc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1C 731157129 RTHWVBPZNMICJE-LZYBPNLTSA-N 266.296 3.625 30 20 CHED Fc1ccc(NN=C2CCc3c(Cl)cccc32)nc1 731321663 NFOROOYUFVHSCJ-UHFFFAOYSA-N 275.714 3.637 30 20 CHED O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cncs1 735792827 LLTOUPURFZLIKX-DUXPYHPUSA-N 294.719 3.601 30 20 CHED C=C(Cl)CNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 736237925 BTKUFIXETKEYQN-PWSUYJOCSA-N 257.805 3.708 30 20 CHED FC(F)Oc1ccc(C=NOCCC(F)(F)F)cc1 740872993 ZBKKHMVASWVSMI-UHFFFAOYSA-N 283.196 3.591 30 20 CHED CCCCCCCCOCC(=O)N1CCC[C@@H]1CC 741683970 QHJLIBNSGBDPNJ-HNNXBMFYSA-N 269.429 3.765 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(F)cc2C)cc1C#N 741841495 LRSOZUBOWQNUJI-XVNBXDOJSA-N 295.313 3.911 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](C)c1ccc(C)o1 742592845 XTBQDONWHYJIGB-MRXNPFEDSA-N 297.398 3.949 30 20 CHED C=CCOc1ccc(OC(=O)c2cccc(F)c2)cc1 742864619 VEHSYNKREUXCAW-UHFFFAOYSA-N 272.275 3.610 30 20 CHED C#CCCOc1ccc(CNCCCC(F)(F)F)cc1 743495499 GQRUXWDMKDLZEK-UHFFFAOYSA-N 285.309 3.521 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c1 743539150 UZFDIJXQFQBNEU-KHPPLWFESA-N 297.310 3.890 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 744352726 PKEXHURJVHGKRT-SNVBAGLBSA-N 288.734 3.855 30 20 CHED Oc1cccc(/C=N\Cc2ccccc2C(F)(F)F)c1O 745624826 OAOCYZZYIBHNHX-OCKHKDLRSA-N 295.260 3.736 30 20 CHED C=CCSCCNC(=O)N(C)C1CCCCCCC1 749011287 ZZODARLFKFZSJV-UHFFFAOYSA-N 284.469 3.660 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C/c1cccc(O)c1O 749929705 DGWBBURMCLXUFS-QWMFHAOCSA-N 279.405 3.581 30 20 CHED Cc1cc(C)c(COC(=O)Cc2ccc(C#N)cc2)c(C)c1 750246923 UWDQFHSAOXOJQM-UHFFFAOYSA-N 293.366 3.769 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(C)s2)c1C 750912114 CEIXYSCBRRUNSA-HJWRWDBZSA-N 274.389 3.786 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@H](CCC)c1ccc(F)cc1F 753180043 MKHSRRXPMUPUNO-SWLSCSKDSA-N 294.345 3.517 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc2c(c1)-c1ccccc1C2 753428720 POHKQMJAONOOKB-OAHLLOKOSA-N 277.323 3.717 30 20 CHED C=C(Cl)COC(=O)c1scc(C)c1Br 753645378 KKNBNFYXXRVCCJ-UHFFFAOYSA-N 295.585 3.728 30 20 CHED C#Cc1ccccc1C(C)=NNc1cccc([N+](=O)[O-])c1C 753700590 MGUBAUHVDFYZFK-UHFFFAOYSA-N 293.326 3.721 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 755274853 SPQSKRXUQLFYLQ-DYVFJYSZSA-N 272.392 3.868 30 20 CHED CN(C(=O)/C=C/c1ccccc1C#N)C1CCC(C)(C)CC1 755579661 PLCAGOXGEJMJGT-CMDGGOBGSA-N 296.414 3.999 30 20 CHED C[C@@H](CC=NNc1cncc(Cl)n1)c1ccccc1 755639101 DGKXTIWDZMBTNO-NSHDSACASA-N 274.755 3.722 30 20 CHED CCCC(=NO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 755816938 XGXIAHWBVZWPRY-HNNXBMFYSA-N 292.335 3.642 30 20 CHED C#CCCCOC(=O)[C@@H](C)CSc1ccc(F)cc1 756239206 IBZQEZFICXJMFM-LBPRGKRZSA-N 280.364 3.511 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(F)cc2O)s1 757476994 WKEREYFTXCTOOR-ALCCZGGFSA-N 262.305 3.797 30 20 CHED C#CC[C@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 757597432 LLXHVIGMHTVZMM-SCOAYWHSSA-N 281.380 3.642 30 20 CHED C#CC[C@H](NC(=O)c1ccc(C)s1)c1ccccc1 757598105 ILBGCNAXDQSAJB-AWEZNQCLSA-N 269.369 3.551 30 20 CHED CCCOc1c(Cl)cc(C=NNC2CC2)cc1OCC 758129338 LOTGFIKJDDBLQX-UHFFFAOYSA-N 296.798 3.613 30 20 CHED CC(CC1CCC1)=NNc1nc2ccccc2n1C 758371872 GDESNOOPBMYKCK-UHFFFAOYSA-N 256.353 3.551 30 20 CHED C#CCCCC(=O)OCc1ccc(OC(C)C)c(Cl)c1 759173390 JUSHDWBJXYLKHD-UHFFFAOYSA-N 294.778 3.974 30 20 CHED Clc1cccc(CNN=Cc2cnc(C3CC3)s2)c1 761817350 MSCQDPRYUPFFKB-UHFFFAOYSA-N 291.807 3.798 30 20 CHED N#Cc1c(F)ccc(C=NOCCC(F)(F)F)c1Cl 761827242 NPILBKVTDCTLBF-UHFFFAOYSA-N 294.635 3.654 30 20 CHED Cc1cc(OC(=O)CC2=CCCCC2)ccc1C#N 765118293 RINSEDLXOSZBPA-UHFFFAOYSA-N 255.317 3.663 30 20 CHED C#CCOc1ccccc1CNCc1ccc(C)c(Cl)c1 767691784 UXDPOEPAGSCVPE-UHFFFAOYSA-N 299.801 3.950 30 20 CHED CCCCCCSCC(=O)Nc1ccc(C#N)cc1 767876515 OSUDRXLXYKYVLE-UHFFFAOYSA-N 276.405 3.810 30 20 CHED Cc1cc(C=NNc2cc([N+](=O)[O-])ccc2C)c(C)o1 767908443 SYTSWWAJJZWFBX-UHFFFAOYSA-N 273.292 3.559 30 20 CHED Cc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)oc1C 768168326 BIKQBNYWXVSYQY-LBPRGKRZSA-N 269.300 3.686 30 20 CHED C=CCN(Cc1ccc(OC)cc1OC(F)F)C(C)C 768548268 ZNQFWZMTZPVXRZ-UHFFFAOYSA-N 285.334 3.693 30 20 CHED CCCCCCOc1cccc(C=NN2CCCC2=O)c1 769592900 IIRMPSMCXJEMLD-UHFFFAOYSA-N 288.391 3.602 30 20 CHED O=C1/C(=C\c2ccccc2C2CC2)CCc2nc(O)ccc21 769615271 PSJDPGSBKXFWCH-KAMYIIQDSA-N 291.350 3.877 30 20 CHED CC(=NNCC(F)(F)F)c1sc(C(C)(C)C)nc1C 769811234 YXLYQKRJGVXANK-UHFFFAOYSA-N 293.358 3.625 30 20 CHED CCCC1CCC(C=NNCC(F)(F)F)CC1 769813420 FRZDCGNOJXIIOB-UHFFFAOYSA-N 250.308 3.731 30 20 CHED CO[C@H]1CCCCC1=NNc1c(F)cccc1Cl 769826736 IVEQOXBFIIBFBV-LBPRGKRZSA-N 270.735 3.836 30 20 CHED C[C@H](C#N)COC(=O)c1ccccc1-c1ccccc1C#N 770929929 BCMMRSDVHLBITJ-CYBMUJFWSA-N 290.322 3.542 30 20 CHED CC(=NNC[C@H](C)C#N)c1ccc2c(c1)Cc1ccccc1-2 771108754 VERRJMTXTXOMTN-CYBMUJFWSA-N 289.382 3.731 30 20 CHED C=CCc1cc(OCC)cc(CN(CC=C)C2CC2)c1O 771641080 SUZYKVKXDIDFFZ-UHFFFAOYSA-N 287.403 3.670 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 771939278 PJMDMSKNFZKGSF-DNVCBOLYSA-N 292.382 3.924 30 20 CHED CC[C@H](Cc1ccccc1)NCc1cc(C#N)ccc1F 773028125 SJXBCTVEFRFCBA-QGZVFWFLSA-N 282.362 3.808 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1nccnc1C(C)C 773091089 MYOFICNYUMHKAH-KGLIPLIRSA-N 272.396 3.990 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1sccc1O 773148812 IAVDKHKDNYCNCU-PLNGDYQASA-N 274.341 3.667 30 20 CHED C[C@H]1CC(=NNc2nc(-c3ccccc3)cs2)CCO1 773188214 CSMZYBFATHFLFR-NSHDSACASA-N 287.388 3.777 30 20 CHED CCOCCON=C(C)c1ccc(-c2ccccc2)o1 774418698 YXASIWGLVGELFO-UHFFFAOYSA-N 273.332 3.724 30 20 CHED C=CCCC[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1 775924104 HFQDZVFRLWORIG-JWAFFJSPSA-N 273.376 3.569 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@@H]1CCCC[C@H]1C 775940714 SPWZCFSUCLVBKN-CABCVRRESA-N 285.387 3.854 30 20 CHED C#CC[C@H](N[C@H]1C[C@H](OCC)C12CCC2)c1ccccc1 776170967 LVYCZYQCOQIKTL-BZSNNMDCSA-N 283.415 3.688 30 20 CHED Cc1cc(Cl)ccc1OCC(=O)OCCC(C)(C)C#N 776361066 JTVFCBBXSSLEKX-UHFFFAOYSA-N 295.766 3.510 30 20 CHED Fc1cc(Cl)cc(C=NNCc2ccccc2)c1 776723947 NYSSIAYCKPAGSJ-UHFFFAOYSA-N 262.715 3.603 30 20 CHED COCCCC(C)=NNc1nc2ccccc2cc1C 776785130 DPGWJWGNZATVQD-UHFFFAOYSA-N 271.364 3.758 30 20 CHED C=CCN(C)C(=S)Nc1ccc(SC(F)F)cc1 777471808 OYORIHFGPUCJRP-UHFFFAOYSA-N 288.388 3.816 30 20 CHED C=CCN(Cc1ccc(F)nc1)CC1CCCCC1 779158094 YWTNRKTWCDOINH-UHFFFAOYSA-N 262.372 3.789 30 20 CHED C#CC[C@H](NC(=O)/C(C)=C(\C)CC)c1ccccc1 780015821 XHASYIRVNGVCKG-VUSFMPOISA-N 255.361 3.614 30 20 CHED COc1ccc(NN=C(C)c2ccc(C)c(C)c2)nc1 780270955 NGVDXFHUECSMRQ-UHFFFAOYSA-N 269.348 3.543 30 20 CHED Cc1cc(Cl)c(C(=O)OCC2(CC#N)CC2)cc1C 781459631 MUMMTPOJAZHACI-UHFFFAOYSA-N 277.751 3.808 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N[C@H](C#N)CCC 782547251 VLGCPMKEZCNJIL-DZGCQCFKSA-N 252.402 3.791 30 20 CHED CSCCCCC(=O)OCc1ccc(C#N)cc1Cl 784228207 GVHMRBYSYJQDQK-UHFFFAOYSA-N 297.807 3.788 30 20 CHED C/C(C=NNC1CCCC1)=C\c1cccc([N+](=O)[O-])c1 787155902 VBPWMNHOLCAXPQ-VAKNNNDASA-N 273.336 3.516 30 20 CHED C(=NOC[C@@H]1CCOC1)C(c1ccccc1)c1ccccc1 788031695 XSQZMTGTGGXOLV-MRXNPFEDSA-N 295.382 3.857 30 20 CHED N#Cc1cccc(-c2cc(C(=O)OC3CCCCC3)on2)c1 790615516 OKAKBNSIBCXTPS-UHFFFAOYSA-N 296.326 3.703 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC)Cc1ccc(Cl)cc1 791069442 LCEHASXHLAUHES-HNNXBMFYSA-N 292.810 3.673 30 20 CHED C=CCN(C(=O)c1ccccc1CC(C)C)C1CC1 792546203 WWKFPGWTBBLPJM-UHFFFAOYSA-N 257.377 3.676 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc2c(c1)CCCC2 792886293 SDOUZSHLQALGOW-LUAWRHEFSA-N 294.398 3.812 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCCC2)c1ccnc(F)c1 792904724 IYCYOHYFVVLEKB-SOFGYWHQSA-N 281.330 3.996 30 20 CHED C#CC[C@H](NC(=O)N(CC1CC1)C1CCC1)c1ccccc1 793125565 AOIDWQKHLLLLQF-SFHVURJKSA-N 296.414 3.725 30 20 CHED CC[C@@H](C)CON=C(C)c1ncc(Br)s1 793164063 RFJIGQBSCSRCDK-SSDOTTSWSA-N 291.214 3.692 30 20 CHED Cc1ccsc1C=NNc1cccc(Cl)n1 793173993 FTTQAQMAUSMIHA-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1CCO 793557173 LNXXLATZVABXLP-ARFHVFGLSA-N 253.430 3.652 30 20 CHED CC(=NN[C@@H]1CCCOC1)[C@H](C)c1ccc(Cl)cc1 794536934 UDKMUHIPNHLNOG-XHDPSFHLSA-N 280.799 3.588 30 20 CHED CCc1cccc2c1OC/C(=C\c1ccnn1C(C)C)C2=O 794728442 PZWLGLIRTOJJCY-GXDHUFHOSA-N 296.370 3.685 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=S)NN=C1CCC[C@H]1CCF 794869944 GPYHPQZVQJUXGS-FRRDWIJNSA-N 299.459 3.545 30 20 CHED FCC[C@@H]1CCCC1=NNCc1cnc2ccccc2c1 794917769 IQTFHXNTTVKUSM-AWEZNQCLSA-N 285.366 3.840 30 20 CHED CC(C)C1CCC(C=NNCC(F)(F)F)CC1 794930728 LGXGDCNPDBRUIY-UHFFFAOYSA-N 250.308 3.587 30 20 CHED CCc1cccc(C)c1NN=C(C)c1ccnc(F)c1 794937062 GQAMXJPQQDBTTC-UHFFFAOYSA-N 271.339 3.928 30 20 CHED N#Cc1ccc(OCCCSCCCCF)cc1 795365834 MSEGMCJEYIDFIM-UHFFFAOYSA-N 267.369 3.810 30 20 CHED C=C(Cl)COC(=O)c1cc(C)n(C(C)C)c1C 796380491 IPHCJCWVRJXVLI-UHFFFAOYSA-N 255.745 3.595 30 20 CHED C=CCCCCOC(=O)[C@@H](C)[C@H]1OCCc2sccc21 797272859 POTXAGRIPZLCQF-SWLSCSKDSA-N 294.416 3.898 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)c1ccc(Cl)cc1F)C(C)C 799046836 MTSPKABTKYSAMX-CQSZACIVSA-N 295.785 3.531 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(C)C 799047385 XMNMJWVCPZXNNQ-IINYFYTJSA-N 298.213 3.871 30 20 CHED Fc1cc(NN=C2CCCC23CCOCC3)cc(F)c1F 799881545 OJDPXNISLVLVFE-UHFFFAOYSA-N 298.308 3.853 30 20 CHED C[C@@H](C=NNc1ccc(C(F)(F)F)nn1)C(C)(C)C 800814937 FJLVOVMFEPDBMZ-QMMMGPOBSA-N 274.290 3.575 30 20 CHED CCCCN(CCO[C@H](C)C#N)[C@H](C)c1ccc(C)o1 801915067 JDUSMHQNJPWOJF-HUUCEWRRSA-N 278.396 3.680 30 20 CHED C=CCOc1ccccc1C(=O)OCCSC(C)C 803273248 QXNVOBDZIXCKAI-UHFFFAOYSA-N 280.389 3.550 30 20 CHED C=CCCCCCCNC(=O)Cc1cc(F)ccc1OC 805219309 FJIJQDHRNPPJLN-UHFFFAOYSA-N 293.382 3.630 30 20 CHED O=C1/C(=C\c2ccccc2F)Cc2nc(Cl)ccc21 806579959 WXYRJYJFWUHTRY-YFHOEESVSA-N 273.694 3.697 30 20 CHED N#Cc1ccc(SCOC2CCCC2)c(F)c1 808022057 FWJJLEGCABMCAF-UHFFFAOYSA-N 251.326 3.706 30 20 CHED C#C[C@H](NC(=O)N(C)C/C(C)=C\c1ccccc1)C(C)(C)C 808317120 NCMRDWNQYAWMKY-REZBVGGZSA-N 298.430 3.779 30 20 CHED C[C@H]1/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 809157845 WGLPBKQNADWKRF-FFCYNSPCSA-N 279.295 3.978 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2CC[C@H]2C2CC2)cc1C#N 809635021 BMRHWFWJVYOAPL-HOCLYGCPSA-N 299.374 3.727 30 20 CHED C#CCCCNCc1c(Cl)cc(Cl)cc1N(C)C 810147028 ZFVMZUXEIVZDTG-UHFFFAOYSA-N 285.218 3.562 30 20 CHED C=CCCCCOC(=O)c1cc(C)nc(Cl)c1 811013402 TXNCLGRNEJGKDX-UHFFFAOYSA-N 253.729 3.557 30 20 CHED Fc1ccc(C(C[C@@H]2CCCO2)=NNC2CCCC2)cc1 811640879 DMYABXXFRAVJPB-INIZCTEOSA-N 290.382 3.631 30 20 CHED C=CCCCCCCCNC(=O)N1CCC=C(C)C1 811927842 QJQSGICETLNDOY-UHFFFAOYSA-N 264.413 3.875 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](c1cccs1)C(CC)CC 812010456 JVZWDPCZHMZKDO-SWLSCSKDSA-N 292.448 3.889 30 20 CHED CC(C)OCCON=Cc1ccc2c(c1)CCC(C)(C)O2 812238383 YSYJFXCKAZBATI-UHFFFAOYSA-N 291.391 3.566 30 20 CHED CSc1ccc(C(C)=NOCCOC(C)C)cc1F 812239580 XKQOECKWVCLCQF-UHFFFAOYSA-N 285.384 3.713 30 20 CHED C=CCCCCCCNC(=O)N1CCCc2occc2C1 812373746 KKXZNUIUSNJDCO-UHFFFAOYSA-N 290.407 3.874 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C#N)o1 814117868 MVSXMWGISKQPMS-OAHLLOKOSA-N 296.370 3.553 30 20 CHED CC(C)c1c(Cl)ncnc1NN=Cc1ccc(Cl)o1 814922003 OUKJXIMPNGLYCJ-UHFFFAOYSA-N 299.161 3.946 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1cccc2cc[nH]c12 814935172 INNWRMNOWMKZSX-CQSZACIVSA-N 293.370 3.559 30 20 CHED C[C@H](COC(=O)c1ccc(C#N)o1)C1CCCCC1 815249011 COJXQUYWRWWGET-LLVKDONJSA-N 261.321 3.524 30 20 CHED C=CCC1(c2nc(-c3cnn(C)c3Cl)no2)CCCC1 817094844 DXVHLKBONSYHAG-UHFFFAOYSA-N 292.770 3.511 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](C3CCCC3)C2)cc1 817414057 BTLWEDBDVQWGAP-MAUKXSAKSA-N 298.430 3.990 30 20 CHED C=CC[C@H](Cc1ccccc1)NC[C@H](O)c1ccccc1F 819368131 MXDTZDXYMAXZJX-APWZRJJASA-N 299.389 3.636 30 20 CHED CCN(c1ccc(NC[C@@H](C#N)CCC#N)cc1)C(C)C 819398962 WVVDJFRGRBCNKN-OAHLLOKOSA-N 284.407 3.777 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CC[C@@H](O)c1ccccc1 823617700 KUVSTKNAZBXSFY-HNAYVOBHSA-N 294.398 3.675 30 20 CHED C=C(C)CN(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 824114188 QZUHHYVAFXFMLI-HUUCEWRRSA-N 296.455 3.530 30 20 CHED Cc1ccc([C@H](C)Nc2nc3c(cc2C#N)COCC3)s1 827441722 ARZMRSCJRGYFRJ-NSHDSACASA-N 299.399 3.569 30 20 CHED CC(C)C#CC(=O)N1CCCC[C@H]1c1nc2ccccc2o1 830298268 VFEJZDPDKAHYBS-HNNXBMFYSA-N 296.370 3.541 30 20 CHED c1nc(NN=C2CCCC23CCC3)c2ccsc2n1 834933579 DIOJVESRYXJHRY-UHFFFAOYSA-N 272.377 3.813 30 20 CHED C[C@@H](C=NO[C@@H]1CCCCO1)c1cc(F)cc(F)c1 834967094 SPAPEOSXOSEACU-IINYFYTJSA-N 269.291 3.597 30 20 CHED C=C(C)[C@H]1CC=C(COC(=O)c2cncnc2C2CC2)CC1 835199943 ZGRQBGQUAWLYNF-AWEZNQCLSA-N 298.386 3.813 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CSc2ccc(F)cc2)C1 839045161 YAWSMPXZVLCZDJ-DGCLKSJQSA-N 293.363 3.543 30 20 CHED CSc1ccccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839060367 ZYCQIOBIVAHDMC-NWDGAFQWSA-N 275.373 3.648 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)/C=C(\C)CC 839225501 WEMLJBBZGCLIAK-UXBLZVDNSA-N 293.750 3.872 30 20 CHED Oc1ccccc1/C=N/Cc1ccccc1OC(F)F 839386950 FPXKBVJZOFUDNQ-GIJQJNRQSA-N 277.270 3.613 30 20 CHED C=CCC1(C(=O)Nc2ncc(CCCC)cn2)CCC1 839433843 IYIUWSKXUFNPOP-UHFFFAOYSA-N 273.380 3.504 30 20 CHED Cc1cc(C)cc(OCCOc2cccc(OCC#N)c2)c1 842108459 NYYXOEBKWLTEOV-UHFFFAOYSA-N 297.354 3.664 30 20 CHED C=CCCNC(=S)Nc1c(CC)cccc1CC 849277835 LTEFAKNZQFBKCN-UHFFFAOYSA-N 262.422 3.674 30 20 CHED C=C(Cl)CNc1cc(Cl)ccc1C(=O)N1CCCC1 849313540 CHBBUGVGRLNUBX-UHFFFAOYSA-N 299.201 3.740 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C[C@@H](O)c1ccco1 850441672 FPISQQZCDVKTHD-XUWVNRHRSA-N 277.408 3.816 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)O[C@H](C)CC(C)(C)C#N 851205341 FGURONQPRKRKLT-LALPHHSUSA-N 251.370 3.540 30 20 CHED CCN(Cc1cc2ccccc2nc1Cl)[C@H](C)C#N 852637932 JHJOTXPKWURURM-LLVKDONJSA-N 273.767 3.622 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CCC(=C2CCC2)CC1 853355510 PUOURKRVFVWKSR-HNNXBMFYSA-N 262.397 3.554 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(Cl)nc1 853871478 CTXKDCOJBWRHAE-UHFFFAOYSA-N 267.760 3.601 30 20 CHED CCCOc1ccc(NCc2ccc(C#N)cc2)cc1OC 858341272 DNKBIMQHGWXKIV-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@H](C)c1ccccc1 860197258 HQFOFSWVURMSIG-ZDUSSCGKSA-N 259.349 3.663 30 20 CHED CN(C)c1ccc(C=NNCc2ccc(Cl)cc2)cc1 864027204 WHULSPPODRPYJA-UHFFFAOYSA-N 287.794 3.530 30 20 CHED C=CCCCCCCCOC(=O)C1(F)CCOCC1 870352220 HEYIPGYKLKHOTI-UHFFFAOYSA-N 272.360 3.575 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](c3ccccc3)C2)CC1 888577212 WSUADVPRMWBETC-KRWDZBQOSA-N 269.388 3.749 30 20 CHED C=C1CCC(C(=O)N[C@H]2CSc3ccccc32)CC1 889046750 GLJISAYEAHFMET-AWEZNQCLSA-N 273.401 3.696 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1ccc2c(c1)COC2 899360351 JPJIPARPSODQAU-DAXSKMNVSA-N 294.354 3.534 30 20 CHED C=CCCC[C@H](NC[C@H]1CCC[C@@H](CC)C1)C(=O)O 900069354 YOTCMSQKKYDXJS-ILXRZTDVSA-N 267.413 3.602 30 20 CHED N#Cc1cc(F)cc(OCCCCC2(C#N)CCC2)c1 901547272 HIZDOSIIPMJJKT-UHFFFAOYSA-N 272.323 3.940 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C(=O)O)c1ccc(F)c(C)c1 901841390 FICZOAYLBFCKQR-CJNGLKHVSA-N 293.382 3.984 30 20 CHED N#CC1(CCCCONC(=N)C2CCCC2)CCC1 902697631 FARFTLKQZAAFGH-UHFFFAOYSA-N 263.385 3.539 30 20 CHED CCc1cc(C#N)c(NC(=O)CCC2(C)CC2)s1 902773544 GMJVMSRTNCVEKV-UHFFFAOYSA-N 262.378 3.701 30 20 CHED CC[C@H](NCCCCOC(C)C)c1cccc(C#N)c1 902947469 JGFDJAVDYKKRIZ-KRWDZBQOSA-N 274.408 3.804 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1cccc(C#N)c1 902979187 PLTOMYGNDURYSU-KSZLIROESA-N 284.403 3.580 30 20 CHED Cc1nc(C(C)(C)C)sc1[C@@H](C)NCC1(C#N)CC1 903101545 INZUNTXBWTWBTP-SNVBAGLBSA-N 277.437 3.703 30 20 CHED C=CCCC[C@@H](N)c1nc(Cc2cc(C)ccc2C)no1 904539138 SXWCRQBMGGKPGK-OAHLLOKOSA-N 285.391 3.633 30 20 CHED C=CC[S@@](=O)[C@H](C)c1ccc(Cl)c(Cl)c1 905169226 WJWDZIOXOKJKGQ-ANRSDYALSA-N 263.189 3.989 30 20 CHED N#CC1(CCCCOC(=O)Cc2cccs2)CCC1 908702859 NPXWAMIWKYNGNH-UHFFFAOYSA-N 277.389 3.698 30 20 CHED N#CC1(CCCCOC(=O)[C@@H]2CC2(Cl)Cl)CCC1 908775895 ORLCQLHDKMNQLP-JTQLQIEISA-N 290.190 3.588 30 20 CHED CCCCC(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 916877910 IQIQRIJLKDFIDW-ZDUSSCGKSA-N 282.343 3.558 30 20 CHED C=CCN(Cc1ccccc1OC(F)F)C(C)C 917071517 UIJVBCFDHGNMQO-UHFFFAOYSA-N 255.308 3.684 30 20 CHED C=C(C)CNC(=S)N[C@H](c1ccccc1)C1CCCC1 918725589 GIBYJSXJKDCBKH-MRXNPFEDSA-N 288.460 3.958 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc2c(c1)OC(C)(C)O2 926044982 GKEIGHMHORMSFE-NSHDSACASA-N 274.364 3.934 30 20 CHED N#CCCCCN1CCC[C@@H](c2nc3c(s2)CCC3)C1 932192335 KCMDDJACIGXBDU-CYBMUJFWSA-N 289.448 3.505 30 20 CHED C=CCCCCCOC(=O)c1ncc(Cl)s1 1116894998 UGULFNONZKCNSB-UHFFFAOYSA-N 259.758 3.700 30 20 CHED C=C(C)CCC(=O)NCCc1nc2ccccc2n1C(C)C 1120605511 ULLSZRIMSRZCOJ-UHFFFAOYSA-N 299.418 3.632 30 20 CHED C=C(C)CCC(=O)N1CC(Cc2c(F)cccc2Cl)C1 1120615322 MKEJXBYMGYTBGD-UHFFFAOYSA-N 295.785 3.836 30 20 CHED C=C(C)CCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 1120677381 PFTKZNGRCLWICW-UHFFFAOYSA-N 292.404 3.593 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 1122732109 RONAXGCIMKCTPS-QCEMKRCNSA-N 275.392 3.828 30 20 CHED N#CC[C@@H](C(=O)Nc1c[nH]c2ccccc12)c1ccccc1 1157072291 LMOBZKDSEOSGSR-CQSZACIVSA-N 289.338 3.804 30 20 CHED COc1ccc(C[C@@H](C)CNc2cccc(C#N)c2)cc1F 1180488226 FDAPYXUGCPQUGT-CYBMUJFWSA-N 298.361 3.997 30 20 CHED C=C(CNC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1211226345 MHPAQPCJAZRXSL-FZCLSBEQSA-N 298.430 3.824 30 20 CHED C=C(CNC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1211226349 MHPAQPCJAZRXSL-UOVPBQLFSA-N 298.430 3.824 30 20 CHED Cc1cc(C#N)cc(NC(=O)Nc2cccc3cc[nH]c23)c1 1219115543 KWLSDRIBUOLJIO-UHFFFAOYSA-N 290.326 3.992 30 20 CHED COCC(=NOC(C)(C)C)c1cccc(C(F)(F)F)c1 1253788659 IAUPIUSRSKMJHG-UHFFFAOYSA-N 289.297 3.871 30 20 CHED N#Cc1ccc(-c2nnc([C@H]3C[C@H]4CC[C@H]3C4)o2)cc1 1257871969 ANGRBPQJEVIGMN-UBHSHLNASA-N 265.316 3.512 30 20 CHED C=CCCC[C@H](N)c1nc(-c2cc3ccccc3o2)no1 1262481492 UWSHNTFJIUGMSO-LBPRGKRZSA-N 283.331 3.839 30 20 CHED Cc1ccc(NN=C2COc3ccc(F)cc32)cc1Cl 1317938260 ANEHPJHEEFILRV-UHFFFAOYSA-N 290.725 3.996 30 20 CHED C(=NNc1ncnc2sccc12)c1ccc2c(c1)CCC2 1318778128 OVMBIJAIWSBTJS-UHFFFAOYSA-N 294.383 3.626 30 20 CHED CC(C)Nc1nnc(SCCCC(C)(C)C#N)s1 1319046131 NSSOJJFRMKWMBH-UHFFFAOYSA-N 284.454 3.780 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2cccc(F)c2)s1 1320298673 JWEICYCWVGHTHL-CQSZACIVSA-N 291.391 3.845 30 20 CHED N#Cc1cccc(NCc2cccc(C(F)F)c2)n1 1320818009 FWIWAQZWSHZHDZ-UHFFFAOYSA-N 259.259 3.503 30 20 CHED C=CCn1cnnc1SC[C@H](C)C1CCCCC1 1324202779 XWRCSTHAWRSDQP-LBPRGKRZSA-N 265.426 3.773 30 20 CHED N#CCc1cccc(NCc2cc(C3CC3)ccc2F)n1 1324426025 UZELPKIXIMUTCL-UHFFFAOYSA-N 281.334 3.776 30 20 CHED C=CCN(C(=O)[C@@H](C)OC1CCCCC1)C(C)(C)C 1329653579 GQOLZVOFILWZSA-CYBMUJFWSA-N 267.413 3.537 30 20 CHED C=CCn1c([C@H]2CC=CCC2)nnc1N(C)Cc1ccoc1 1339180450 AHLZGKAYNSEEAZ-HNNXBMFYSA-N 298.390 3.517 30 20 CHED C[S@@](=O)c1ccc(C=NNc2ccc(Cl)cc2)cc1 1339941977 OIWBTSDHSZHFQG-LJQANCHMSA-N 292.791 3.523 30 20 CHED COc1ccc2cc(C(=O)O[C@H](C#N)C(C)C)ccc2c1 1342579856 NZKHZLKGYLDURF-MRXNPFEDSA-N 283.327 3.553 30 20 CHED C=C(C)Cn1c([C@H](C)C(C)C)nnc1N1CCC(F)CC1 1343232064 DEGMMGDLOWTOFK-CYBMUJFWSA-N 294.418 3.552 30 20 CHED C=CCOCCS[C@H]1CCc2c(F)cccc21 1345180456 QZZOONGVCDBXSX-AWEZNQCLSA-N 252.354 3.749 30 20 CHED Cc1cnc(Cl)cc1C(=O)OCCCC(C)(C)C#N 1345429024 YDTWALDWMPDJHG-UHFFFAOYSA-N 280.755 3.530 30 20 CHED C[C@@H](Cc1ccccc1)C(=O)O[C@@H](CC#N)c1ccco1 1347949586 ZETFJJNVLKLZFZ-BBRMVZONSA-N 283.327 3.656 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 1355225690 NAZTZCXMAILFDC-NHYWBVRUSA-N 288.366 3.642 30 20 CHED Cc1c(C(=O)O[C@@H](C)CC#N)cccc1-c1ccccn1 1356043573 VOCPDYZDNTVSLO-LBPRGKRZSA-N 280.327 3.516 30 20 CHED CN(C(=O)c1ccc(C2CC2)cc1)c1ccccc1C#N 1457943133 WCIMYUKTOZTZRR-UHFFFAOYSA-N 276.339 3.712 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(c2ccnc(C#N)c2)C1 1458227276 MMVIMMWTPRQLDA-SJKOYZFVSA-N 281.334 3.680 30 20 CHED C=C(CNc1nc(C(C)(C)C)ns1)c1ccccc1 1458413289 LSOCXLXFPRZGTQ-UHFFFAOYSA-N 273.405 3.961 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCN(C)C2(CCCCC2)C1 1473486539 LUTFZMRGACRWCU-MRXNPFEDSA-N 297.446 3.570 30 20 CHED C=C(C)CCC(=O)Nc1cc(F)c(F)c(F)c1F 1514537313 YWEOVFVIDGWLCF-UHFFFAOYSA-N 261.218 3.538 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCO[C@H](CCC)C1 1514859108 OQTYLXICZHPPNL-BZUAXINKSA-N 279.424 3.539 30 20 CHED Cc1ccc(F)cc1[C@H](C)OC(=O)c1ccc(C#N)cc1 1521214233 VOQZCXVEWCSECP-LBPRGKRZSA-N 283.302 3.924 30 20 CHED N#Cc1ccc(C(=O)N(Cc2ccccc2)C2CC2)c(F)c1 1524276418 IUNBUEZYLFPGQG-UHFFFAOYSA-N 294.329 3.502 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1 1525019167 SSJUOBRCMLKSFJ-UHFFFAOYSA-N 296.301 3.542 30 20 CHED C[C@H](Sc1ccnc(C#N)c1)c1ccc(F)cc1 1559086783 NRBXJGVXWSTYCY-JTQLQIEISA-N 258.321 3.946 30 20 CHED Cc1nc(C#N)cc(N[C@H](CCC(C)C)C(C)(C)C)n1 1611987706 UWWFETCDNZAZNJ-CQSZACIVSA-N 274.412 3.920 30 20 CHED CCc1nc(C#N)cc(NCCC2CCC(F)(F)CC2)n1 1613057142 ZKVPKVSYCPKBRD-UHFFFAOYSA-N 294.349 3.538 30 20 CHED COc1cc(C(C)=O)ccc1Sc1cc(C)c(C#N)cn1 1639681959 IHFPTUBREAVAMZ-UHFFFAOYSA-N 298.367 3.624 30 20 CHED Cc1cc(=N[C@@H](C)c2cc3ccccc3o2)c(C#N)c[nH]1 1639787824 UFYRZHVRYCKHHG-LBPRGKRZSA-N 277.327 3.603 30 20 CHED Cc1cc(C#N)nc(NC[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 1642172528 JVENMKJXCLFDQM-DUVNUKRYSA-N 286.423 3.777 30 20 CHED CC(C)[C@@H]1CCC[C@H](Nc2cccc(C#N)n2)CC1 1650991449 RRSWCXGDDIDFJG-KGLIPLIRSA-N 257.381 3.970 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)s2)cc1F 1656272418 NQBCKXCOPKBOBB-UHFFFAOYSA-N 275.304 3.540 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)Nc1ccc(F)cc1C#N 1659657278 FIUCKGREOSMRBN-UHIISALHSA-N 289.354 3.644 30 20 CHED C=C(Cl)CN1CCc2ccc(C(F)(F)F)cc2C1 1659747048 URQRQBQXYRZWNR-UHFFFAOYSA-N 275.701 3.816 30 20 CHED Cc1cc(CN2Cc3ccccc3[C@H](C)C2)ccc1C#N 1659959517 QHESVSAPDRAHQI-OAHLLOKOSA-N 276.383 3.986 30 20 CHED Cc1ccc(-n2ccc(NCc3ccc(C#N)cc3)n2)cc1 1662769925 JOCITTYSVNIYFL-UHFFFAOYSA-N 288.354 3.665 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1scc(C)c1C#N 1669735877 IAEBCNVTBANPLI-GXSJLCMTSA-N 279.409 3.874 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCc3cc(C)ccc32)c1 1672776239 YIYKQVDBNGFCDY-UHFFFAOYSA-N 291.354 3.770 30 20 CHED C[C@H](NC(=O)N[C@]1(C)CCCC[C@@H]1C)c1ccc(C#N)cc1 1676107766 DIAOOUMGKPWCCO-SUNYJGFJSA-N 299.418 3.887 30 20 CHED C=C(Cn1c(C)nnc1N1CCC[C@H]1CC)c1ccccc1 1690322929 VJLNEESYSXLKFO-QGZVFWFLSA-N 296.418 3.679 30 20 CHED COc1ccc(C(C)=NNc2ccc(C(=O)O)cc2)c(C)c1 1776013266 RSDDAORVMBIEBY-UHFFFAOYSA-N 298.342 3.538 30 20 CHED C[C@@H]1CCC(=NNc2ccc(F)c(C(=O)O)c2)C[C@H]1C 1776062690 GBDFCNAKGJEXNP-NXEZZACHSA-N 278.327 3.748 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2cc(C)ccc2C)CC1 1776162033 VTJGOPIROKJGJF-UHFFFAOYSA-N 287.403 3.546 30 20 CHED N#Cc1ccc(NC(=O)/C=C/Sc2ccccc2)cc1 15580035 XPGXWSQUCIQYSC-ZHACJKMWSA-N 280.352 3.803 30 20 CHED Cc1ccc(OCCC(=O)Nc2ccccc2C#N)c(C)c1 20261433 ZOKWMCHBYPFUBV-UHFFFAOYSA-N 294.354 3.583 30 20 CHED Cc1cccc(OCCCC(=O)Nc2ccccc2C#N)c1 20261540 KLFHIQRFRKDTCJ-UHFFFAOYSA-N 294.354 3.664 30 20 CHED CCCC(CCC)=NNC(=S)Nc1cccc(OC)c1 20786716 QRGUFXRLBLTELF-UHFFFAOYSA-N 293.436 3.938 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/C2CCCCCCC2)c1 22727051 BWLCJYPUJVAGGV-LFIBNONCSA-N 276.336 3.832 30 20 CHED N#Cc1cccc(NC(=O)NCc2ccc(Cl)s2)c1 43329196 OKNTURKSSVUUHS-UHFFFAOYSA-N 291.763 3.595 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(Cl)n2)cc1Cl 51072804 HCNCACQGGAHEJG-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1cccc(CCN[C@H](C)c2cccc(C#N)c2)c1 51669428 GVJIAURHQZHQSX-OAHLLOKOSA-N 264.372 3.760 30 20 CHED CC(=O)Nc1c(C)ccc(NCc2ccccc2C#N)c1C 55892209 DRRQGAOCMYYAFB-UHFFFAOYSA-N 293.370 3.746 30 20 CHED CC(C)n1cc(N[C@H](C)c2cccc(C#N)c2)cn1 61683114 XCUQUOXYYPVOCT-GFCCVEGCSA-N 254.337 3.509 30 20 CHED C/C(=C\c1ccccc1)CNCc1cccc(C#N)c1 66971903 OUUQNPVZDGMNHQ-XNTDXEJSSA-N 262.356 3.751 30 20 CHED C[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1cccc(C#N)c1 74917609 ZYXJJXMRYZBTDU-CHWSQXEVSA-N 297.402 3.592 30 20 CHED C#CCOc1ccc(CNC2(c3ccccc3F)CC2)cc1 76766713 VCRLLYIWRUPUFF-UHFFFAOYSA-N 295.357 3.617 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc(C#N)cn2)C1 78450588 YXTPNQZBXLEJOA-BLLLJJGKSA-N 281.334 3.680 30 20 CHED CC(C)(C)CN(CCC#N)CCOc1ccc(Cl)cc1 78594412 UXOVKIISUGZWBK-UHFFFAOYSA-N 294.826 3.981 30 20 CHED CSc1ccc(NC(=O)C(C)(C)C#N)cc1Cl 81104923 BLDAVLMBFMZCOG-UHFFFAOYSA-N 268.769 3.550 30 20 CHED C=CCCCN1CCC[C@@H]1c1nc2ccccc2n1C 84116428 AAWKODMKAFMBAY-MRXNPFEDSA-N 269.392 3.676 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(Cl)ccc1Cl 87759872 RNRIAPDOZDSLJK-SECBINFHSA-N 257.164 3.585 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)nc1 89269335 KBCMZYHXLBULCX-GDBMZVCRSA-N 299.761 3.549 30 20 CHED C[C@@H]1CSC(S[C@@H](C#N)C2CCCCC2)=N1 89523007 BKZPGLPRBZTKCK-KOLCDFICSA-N 254.424 3.683 30 20 CHED CCN(CCC#N)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 92894858 IZSJSYZDJFZUOO-CYBMUJFWSA-N 292.810 3.671 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C#N)cs2)C1 93868983 FZJLELLDMJCZJK-CHWSQXEVSA-N 280.462 3.726 30 20 CHED CC[C@H](CNc1cnccc1C#N)c1ccccc1 94132272 CUEVVQBFVFLEKC-CYBMUJFWSA-N 251.333 3.559 30 20 CHED CC(C)[C@H](C#N)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94543972 KOBQIVWXFFOFHS-UWUYSDQOSA-N 288.435 3.647 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2C)cc1 96792664 MHNSDNMBRWVVAO-XFFZJAGNSA-N 294.350 3.986 30 20 CHED C=CCCC(=O)Nc1nnc(-c2ccc(C)cc2C)s1 102242449 HUKDXZABGAVUJP-UHFFFAOYSA-N 287.388 3.727 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C)sc1C 106422542 LIOKFZRPXZHCEL-UHFFFAOYSA-N 278.421 3.957 30 20 CHED CCCCN(C)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 107183047 QKSZUJOCSLBDQW-UHFFFAOYSA-N 299.418 3.945 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 111901359 WSLYYFYVOGQFHL-IRXDYDNUSA-N 284.403 3.706 30 20 CHED CC(C)[C@H](OC(=O)c1cccc(C#N)c1)c1ccccn1 113658318 MRDHIICSLZUEBO-INIZCTEOSA-N 280.327 3.507 30 20 CHED C=CCCCN(Cc1ccccc1)CC1CCOCC1 117882306 XXHSNBPWAHJXGP-UHFFFAOYSA-N 273.420 3.881 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1CCC(C)C 120327249 PRHFLSUFVLAVKE-KBPBESRZSA-N 252.402 3.561 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1ccc(Cl)cc1 122296265 FTKRMDZJTASWFB-ZDUSSCGKSA-N 250.773 3.930 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](OCC)C1 126951973 CWJRHXMPYQTILR-OAHLLOKOSA-N 269.429 3.765 30 20 CHED CCCC[C@@H](COC)Nc1cccc(OCCCC#N)c1 129939201 XVAZKKQKPVVQIC-INIZCTEOSA-N 290.407 3.986 30 20 CHED CC(C)c1ccc(C[C@@H](C)NC(=O)C2(C#N)CCCC2)cc1 134176593 GRNQPPQFZWAYGJ-OAHLLOKOSA-N 298.430 3.941 30 20 CHED C=CCC[C@@H](C)Nc1ccc(Br)nc1 134967588 BNPRIMMPILMMBD-SECBINFHSA-N 255.159 3.611 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2cnccc2C#N)CC1 135610060 TUKTUZFWNRWNDA-CQSZACIVSA-N 257.381 3.606 30 20 CHED CC#CCNC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 135979771 QIZLJBFHUYACNY-CYBMUJFWSA-N 284.359 3.549 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CC[C@@H](C)c1ccccc1 137016557 LXEARALVAZKRFX-RHSMWYFYSA-N 272.392 3.625 30 20 CHED C=CCCOCC(=O)N[C@@H](c1cccs1)C(CC)CC 138776543 APQFKZMUOFVKGC-MRXNPFEDSA-N 295.448 3.934 30 20 CHED N#Cc1c(Cl)cccc1NCCCC(F)(F)F 149422789 NSAAHGVTVYRKIK-UHFFFAOYSA-N 262.662 3.966 30 20 CHED N#Cc1ccccc1NC(=O)c1ccc(Cl)c(F)c1 154814917 CXQFMDLSHKPUIP-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=C(C)COc1cccc(NCc2ccc(C)nc2)c1 156378664 GOWHNZPRRZRRKK-UHFFFAOYSA-N 268.360 3.957 30 20 CHED C#CCOc1ccc(CNc2ccc3nc(C)oc3c2)cc1 159003610 GEYZYNHRUWHTFJ-UHFFFAOYSA-N 292.338 3.760 30 20 CHED COc1cccc(OCc2ccc(C#N)cc2Cl)c1 162966513 AWSUJJFCLUZPAN-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C#CCCCNc1cccc(C)c1Br 163106896 BANOFCVAGMLPEQ-UHFFFAOYSA-N 252.155 3.583 30 20 CHED C#CCCCCNCc1cccc(Cl)c1Cl 165933739 LPFSNBWFNPLIBQ-UHFFFAOYSA-N 256.176 3.887 30 20 CHED N#CCN(C(=O)/C=C/c1ccc(Cl)s1)C1CCCC1 172454351 FTMOWKWFZVUUGI-SOFGYWHQSA-N 294.807 3.709 30 20 CHED C#CCCCNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 172947335 GXEYYKYNXLLGJZ-OAHLLOKOSA-N 271.404 3.833 30 20 CHED C=CCOCCCC(=O)N(C)Cc1ccc(C(C)C)cc1 173074101 LNEBZFHRLSJMLD-UHFFFAOYSA-N 289.419 3.751 30 20 CHED CCCCCc1ccc(NC(=O)NC[C@@H](C)C#N)cc1 176292127 ISCFCBQICQHRET-ZDUSSCGKSA-N 273.380 3.700 30 20 CHED Cc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C#N)c[nH]2)o1 177878956 FJKMSMOHTJJADP-HNNXBMFYSA-N 297.358 3.545 30 20 CHED Cc1nc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)s1 179085893 TWKHLPZIMYEOBV-UHFFFAOYSA-N 299.399 3.813 30 20 CHED CC1(CNC(=O)Cc2ccc(C#N)cc2)CCCCCC1 179847502 KFTFPJQOPYEMGZ-UHFFFAOYSA-N 284.403 3.577 30 20 CHED C=C(C)CN(C)[C@H](C(=O)Nc1ccccc1)c1ccccc1 181299087 BMQHVTXGKGQJEJ-SFHVURJKSA-N 294.398 3.874 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccsc1 181418635 KGGZXEYMJIFCBY-UHFFFAOYSA-N 258.346 3.631 30 20 CHED C=CCN(CC=C)Cc1ncc(Cl)cc1Cl 182034913 RJZICEDOMQXBSU-UHFFFAOYSA-N 257.164 3.562 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2sccc2C#N)c1 182347245 SSLQMBWHTRUNSA-UHFFFAOYSA-N 284.384 3.808 30 20 CHED C=CCOc1cccc(CN(C)[C@H](C)c2cccnc2)c1 183717543 KVJLVGNSVDZUHK-OAHLLOKOSA-N 282.387 3.839 30 20 CHED N#CC1(COC(=O)c2ccc(Oc3ccccc3)o2)CCC1 183830973 FZARQMQZBLDIJV-UHFFFAOYSA-N 297.310 3.923 30 20 CHED CC[C@@H](CC#N)NCc1cccc(-c2cccnc2)c1 184089981 KMILBGPMXQYDBC-KRWDZBQOSA-N 265.360 3.530 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1 185550408 ZDCFJNQWBPRKQY-UHFFFAOYSA-N 283.375 3.605 30 20 CHED C=CCCCN1CCO[C@H](c2cccc(Cl)c2)C1 185609490 UHHYXEHXKDIVOF-HNNXBMFYSA-N 265.784 3.680 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C(C)=O)ccc1Cl 186038754 MMHZEHGTHHWHTJ-UHFFFAOYSA-N 277.751 3.531 30 20 CHED C=CC[C@@H](C(=O)N(C)C[C@H](C)CC)c1ccccc1 187855181 GLRNZWMDFBTYPT-GDBMZVCRSA-N 259.393 3.851 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@H](C)OC)cc1 188129963 MUKXDZRZNVDPSJ-QWHCGFSZSA-N 283.799 3.503 30 20 CHED C#CCCCCNC(=O)CCCCCc1ccc(F)cc1 188545824 ITXSSBBTTBYQFI-UHFFFAOYSA-N 289.394 3.848 30 20 CHED CC(C)C(C)(C)CNCc1ccc(N(C)CCC#N)cc1 189469934 UWYXODIJFZVNLU-UHFFFAOYSA-N 287.451 3.808 30 20 CHED C=CCC1(C(=O)Nc2ccc(Cl)cc2O)CCC1 189797182 PQJUIRXLZMUFJX-UHFFFAOYSA-N 265.740 3.731 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1CC[C@H](C)C1 189912770 JMZILETXGYEYCU-KBPBESRZSA-N 264.413 3.744 30 20 CHED N#Cc1ccc(CN(Cc2cccs2)C2CC2)cc1F 191891371 HJBFDANZXBYUPG-UHFFFAOYSA-N 286.375 3.923 30 20 CHED C=CCC1(C(=O)Nc2cc(C3CCCC3)[nH]n2)CCC1 191904122 JEOPTRGIRYHNPS-UHFFFAOYSA-N 273.380 3.752 30 20 CHED C#CCCCC(=O)N[C@H](C)c1ccc(SCC)cc1 192110946 ZGXNSHKDMYZRKX-CYBMUJFWSA-N 275.417 3.779 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H]1CCN(Cc2ccccc2)C1 192923105 RXFSAGIOLFGOGX-SCTDSRPQSA-N 286.463 3.699 30 20 CHED CC(C)N(Cc1cc(C#N)ccc1F)CC1CCC1 193201097 BROGPYUVBCBSGC-UHFFFAOYSA-N 260.356 3.708 30 20 CHED CCc1cccc(C)c1NC(=O)c1ccccc1OCC#N 194069813 MUIXNCXRYHZLIM-UHFFFAOYSA-N 294.354 3.712 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)C12CC3CC(CC(C3)C1)C2 194080072 CMRFDENRICHIGD-LNOPCHKWSA-N 285.435 3.624 30 20 CHED N#Cc1cccc(CSc2ccc(O)cc2)c1F 219765850 FSQBJOXAZIELRX-UHFFFAOYSA-N 259.305 3.695 30 20 CHED N#Cc1ccc(NCC(F)(F)c2ccccc2)cc1 227898586 GPXUTZLGIXIWQZ-UHFFFAOYSA-N 258.271 3.762 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCO2)cc1Br 228254527 LDWTXIZZEAGBTQ-JTQLQIEISA-N 298.205 3.592 30 20 CHED CC(C)(C#N)CCCCOc1ccc(Br)nc1 232519706 OKRIVQQWLSFOKZ-UHFFFAOYSA-N 297.196 3.943 30 20 CHED COCc1ccc(/C=C2\CCOc3ccccc3C2=O)cc1 255565033 CUIJFQAHFDRWNQ-FOWTUZBSSA-N 294.350 3.882 30 20 CHED C=C(C)CN(CC)C(=O)CSc1cc(C)ccc1C 255932372 WIHPAPXBXHELFS-UHFFFAOYSA-N 277.433 3.820 30 20 CHED C[C@@H](c1ccc(Br)cc1)N(C)C[C@@H](C)C#N 264761758 DIXOEXDAHLFKJS-QWRGUYRKSA-N 281.197 3.602 30 20 CHED C=C1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)CC1 267343806 DGBYJTMSBMVMML-JTQLQIEISA-N 269.797 3.684 30 20 CHED C=C(C)[C@@H](CC(=O)NC(C)(C)c1cccc(F)c1)OCC 270102268 ZRGZJYAXPYFKJX-OAHLLOKOSA-N 293.382 3.548 30 20 CHED Cc1cc(C)cc([C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 271759231 AKWOPQRSWYDFHD-KXBFYZLASA-N 294.398 3.559 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](C)C(C)(C)C 272729242 UZBXFHGOTQHLQA-RYUDHWBXSA-N 274.364 3.598 30 20 CHED C[C@@H](CC(=O)NCCCC#N)c1cccc(C(F)(F)F)c1 273058536 SJNMXVZTRMWAOC-NSHDSACASA-N 298.308 3.619 30 20 CHED C#CCC(C)(C)c1nc(Cc2cccc(Cl)c2)no1 274353051 TWAWKHYQUPYMOE-UHFFFAOYSA-N 274.751 3.615 30 20 CHED C=C(C)CNC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 275014493 KNGIFBVZXOTBRQ-UHFFFAOYSA-N 298.386 3.566 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[C@@H]1CCO 275030759 OHGSSXJTKALZJE-ZWNOBZJWSA-N 298.308 3.540 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2cccc(OCC#N)c2)CS1 276835690 BSTUOMPOWAKPGZ-HIFRSBDPSA-N 290.432 3.921 30 20 CHED C=CC[C@@H]1N(Cc2nccn2C(F)F)CCCC1(C)C 277688857 GWYFKNGBFSROOC-LBPRGKRZSA-N 283.366 3.845 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(C)c(OC(C)C)c1 278388268 DPUVITYHIRVNLC-CYBMUJFWSA-N 289.379 3.596 30 20 CHED CN(Cc1csc(Br)c1)[C@H]1CC[C@H](C#N)C1 278750926 WZVDKRKONDNLEA-ONGXEEELSA-N 299.237 3.635 30 20 CHED C[C@@H]1Sc2ccccc2N(C(=O)CC(C)(C)C#N)[C@H]1C 279067445 TUPMAHGXWYQKNK-RYUDHWBXSA-N 288.416 3.842 30 20 CHED C=CCC[C@H](CCC)NC[C@@H]1CCO[C@@H]1C(=C)C 280720908 FSJWDCNKNCUJCS-HRCADAONSA-N 251.414 3.692 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccsc2)cc1 282969608 LEUBVJRAOAFBJU-CYBMUJFWSA-N 271.385 3.611 30 20 CHED Cc1csc(CCCCNc2snc(C)c2C#N)n1 288053641 AQWBTIUSINCLQO-UHFFFAOYSA-N 292.433 3.523 30 20 CHED Cc1nsc(N[C@H](C)c2ccc(Cl)cn2)c1C#N 288509095 VASFNNUJYCBMBD-MRVPVSSYSA-N 278.768 3.545 30 20 CHED C=CCC[C@H](C)NC[C@H]1CCN(c2ccccc2F)C1 291231328 OBYRFJQKMXMCNA-LSDHHAIUSA-N 276.399 3.596 30 20 CHED N#CCCCC(=O)N(c1ccccc1)C1CCCC1 291614693 BHPWIVMEMBZJIC-UHFFFAOYSA-N 256.349 3.656 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2C(=O)CCCC#N)c1 291853304 GRANMACCIJLZHT-MRXNPFEDSA-N 270.376 3.661 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 292615035 BPLASJZCGNEITB-GDBMZVCRSA-N 271.404 3.993 30 20 CHED C=CCOCCSc1ccc(C#N)cc1Cl 292663987 NRFVNTPWQHGNQH-UHFFFAOYSA-N 253.754 3.506 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)c(OC)cc1F 292728601 IYXASNVALAEFPF-UHFFFAOYSA-N 269.291 3.514 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(Cl)c1O 293453095 NAPPAWMPJMSGTM-UHFFFAOYSA-N 253.729 3.586 30 20 CHED CCc1ccc([C@@H]2CCN([C@H]3CC[C@H](C#N)C3)C2)cc1 293684814 VYSQFEUCTSKKBJ-JQHSSLGASA-N 268.404 3.731 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc2ccccc2c1O 294205121 CBUVOKSCPOZIJH-UHFFFAOYSA-N 297.398 3.903 30 20 CHED C=CCN(Cc1ccccc1F)[C@H]1CC[C@H](C#N)C1 298302415 YEVMZFNFPGLKKZ-ZFWWWQNUSA-N 258.340 3.506 30 20 CHED C[C@@H](CCC#N)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 299195987 DSTKQBWSGLJZAX-XHDPSFHLSA-N 296.773 3.545 30 20 CHED CCCO[C@@H]1CCCN(c2ccc(Cl)cc2C#N)CC1 301212022 VCKOKIKHINBLRS-OAHLLOKOSA-N 292.810 3.997 30 20 CHED C[C@H](Cc1ccccc1F)Nc1cc(C#N)ccc1[N+](=O)[O-] 302215580 OSAXNCKQNUFPPD-LLVKDONJSA-N 299.305 3.649 30 20 CHED Cc1ccc(N/C(N)=N/CCCNc2ccccc2)cc1C 303972341 FQWKUXQYMLYKQC-UHFFFAOYSA-N 296.418 3.532 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2nc3c(s2)CCCC3)CCC1=O 328908699 DDQBAZXJRNKJIZ-NXEZZACHSA-N 292.404 3.615 30 20 CHED OC(=Nc1ccc(C2CCC2)cn1)[C@H]1CCCOCC1 329321452 UMROEJBNWWKNFE-ZDUSSCGKSA-N 274.364 3.754 30 20 CHED Cc1cc(C/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)no1 329703469 IUIUDDXQBCKEAF-BFHYXJOUSA-N 276.380 3.841 30 20 CHED Cc1ccccc1[C@H](C)C/C(O)=N/[C@H]1CCc2c[nH]nc2C1 329859554 OWOIWEOPKNSFJC-HIFRSBDPSA-N 297.402 3.726 30 20 CHED CCC1(CC)CCC(N/C(O)=N/CC(C)(C)C(=N)O)CC1 331016290 LRNPACBXNYXPEE-UHFFFAOYSA-N 297.443 3.800 30 20 CHED C[C@H](C(=O)Nc1ccc(F)cc1C#N)c1ccsc1 335286948 BKNDENRHPFPUSP-VIFPVBQESA-N 274.320 3.501 30 20 CHED CCN(CCC#N)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 337054357 OTQXOMMHVOPCAC-LLVKDONJSA-N 298.308 3.571 30 20 CHED Cc1nsc(NC[C@@]2(C)C[C@H]2c2ccccc2)c1C#N 338738584 HCPODGNDUGKXSO-GOEBONIOSA-N 283.400 3.929 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)Cc1cc2ccccc2o1 338810043 XOOISDGDMLSAAN-UHFFFAOYSA-N 296.374 3.545 30 20 CHED C=CCCn1cnc2scc(-c3ccccc3)c2c1=O 339096952 MIXLAYOMJMIXQL-UHFFFAOYSA-N 282.368 3.701 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C1 339098468 HWZBUZMELBFCOR-TZMCWYRMSA-N 271.364 3.506 30 20 CHED Cc1ccc(SCCNc2nccc(C)c2C#N)cc1 343524078 YJKVCIUWDXCAJN-UHFFFAOYSA-N 283.400 3.774 30 20 CHED CSc1ccc(F)cc1CNCc1cccc(C#N)c1 344725339 NURYOKVEPVKMAE-UHFFFAOYSA-N 286.375 3.709 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1ccccc1)CC1CCC1 345754581 KLCKMDYBGJWKRB-UHFFFAOYSA-N 284.403 3.755 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1COCc1ccccc1 347075452 SDETXTMILVPXGN-CQSZACIVSA-N 294.354 3.502 30 20 CHED N#CCN(C(=O)CCc1cc2ccccc2o1)C1CCCC1 348485043 UCOVMEDGOSZKFW-UHFFFAOYSA-N 296.370 3.660 30 20 CHED CCS[C@@H]1CCCCN(Cc2ccc(F)cc2C#N)C1 350947097 DPTBSFHTHQLBKX-MRXNPFEDSA-N 292.423 3.805 30 20 CHED C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(C)s1 351596663 PCEORYFSVZMHIQ-KBPBESRZSA-N 265.422 3.521 30 20 CHED CC(C)CCN(CCC#N)Cc1c(F)cccc1F 353420823 UPEDXXCLRKTRTM-UHFFFAOYSA-N 266.335 3.727 30 20 CHED C=C1CCN(C(=O)c2csc3c2CC[C@@H](C)C3)CC1 354386973 MPMTVCRYOIODSK-GFCCVEGCSA-N 275.417 3.665 30 20 CHED Cc1cscc1CNC(=O)C[C@H](CC#N)c1ccccc1 357130799 UBRBVWOHAMPHOD-HNNXBMFYSA-N 298.411 3.760 30 20 CHED C=CCN(C(=O)Nc1cc(C)cc2cccnc12)C1CC1 357750887 AEMTWMLJVACMDG-UHFFFAOYSA-N 281.359 3.726 30 20 CHED C=CCC1(C(=O)NCCCCN2CCCC[C@@H]2C)CCC1 358498119 POZSKKITYMWCQB-INIZCTEOSA-N 292.467 3.504 30 20 CHED N#CCCCN[C@@H]1CCCc2cc(Br)ccc21 358977773 FCFQFZNBHZJVJY-CQSZACIVSA-N 293.208 3.720 30 20 CHED C=CCOc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 359461766 FCZHISXNBDMSSG-KRWDZBQOSA-N 297.398 3.656 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H]2[C@H]3c4ccccc4CC[C@H]32)C1 359873572 PPFVHLVKETWEML-VXKGYBDPSA-N 280.415 3.634 30 20 CHED C=CCCCC(=O)N1CCN(CC2CC2)c2ccccc21 360301503 VDSJOMKJBWZRQT-UHFFFAOYSA-N 284.403 3.606 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC1CCCC1 360839297 GTKBBYPPKYFTFM-QGZVFWFLSA-N 254.377 3.858 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1cccc(C2CCC2)c1 361794344 CNKUNFOFFXDBDJ-GFCCVEGCSA-N 271.364 3.720 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H]1CCC(C)(C)c2ccccc21 362379225 JLNXYJHJQYBJEB-DOMZBBRYSA-N 272.392 3.673 30 20 CHED CCC[C@@H](CNc1cccc(Br)c1C#N)OC 383237789 CJDFAZJRUSVRCO-JTQLQIEISA-N 297.196 3.548 30 20 CHED C=CCC(C)(C)CNc1cc(OC)c([N+](=O)[O-])cc1F 383989600 IPMFENGAYFBJCH-UHFFFAOYSA-N 282.315 3.757 30 20 CHED C#CCCNC(C)(C)c1ccc(Br)c(C)c1 390676455 XWHBXQAFZRXXEB-UHFFFAOYSA-N 280.209 3.606 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1ccc(C(F)(F)F)cc1 410146683 BIAFMJAJDKIKMJ-ZDUSSCGKSA-N 285.309 3.719 30 20 CHED CC(C)CCCCC(=O)N[C@](C)(C#N)C(C)(C)C 410671663 HGUUTPZIPKUEQN-OAHLLOKOSA-N 252.402 3.647 30 20 CHED C=CCN(Cc1cccs1)[C@H](C)c1nc(C2CC2)no1 411129822 CFVPTPFWSJZINR-LLVKDONJSA-N 289.404 3.758 30 20 CHED CCN(C(=O)[C@@H](C)CC(F)F)[C@@H](C)c1ccc(C#N)cc1 412127332 FSWHUHSXYZHGOF-RYUDHWBXSA-N 294.345 3.759 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)CC1 412458602 CTCOQVGKIZSFEM-GJZGRUSLSA-N 261.409 3.675 30 20 CHED Cc1ccc(CNC(=O)C2(C#N)CCCC2)c2ccccc12 413877371 CNNCGZFUCVFNKH-UHFFFAOYSA-N 292.382 3.848 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 415631567 QFMUSGLISGPBIY-SOUVJXGZSA-N 290.794 3.594 30 20 CHED CC[C@H](CC(=O)N1CCc2cc(C#N)ccc21)C(C)C 416013731 NUOXYRSUACUWKB-CQSZACIVSA-N 270.376 3.520 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1ccc(C2CC2)cc1 419353094 KTXYIIJEGWFMIM-DYVFJYSZSA-N 259.393 3.542 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H](CCc2ccccc2)C(F)F)C1 424316657 BAIASMWWXSFIOC-RRFJBIMHSA-N 278.346 3.535 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 424829630 HLMUJXDBCWGISE-NNUKFRKNSA-N 293.357 3.929 30 20 CHED CC(C)Cc1ccc(CCC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 424969191 ZZKDKHIPBISBDY-ZWKOTPCHSA-N 298.430 3.626 30 20 CHED CC(C)(NCc1ccc(F)c(C#N)c1)c1ccccc1F 429251166 BYTDXQIECPAXJF-UHFFFAOYSA-N 286.325 3.861 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(C(=O)c2ccccc2)CC1 429935216 ARZDNRNNJYUNBS-UHFFFAOYSA-N 299.414 3.710 30 20 CHED C=CCN(CCC#N)Cc1cccc(OCC(C)C)c1 430088123 GTNTXGHVJBJIBD-UHFFFAOYSA-N 272.392 3.623 30 20 CHED CC(C)[C@@H]1N(c2ccc(C(F)(F)F)c(C#N)n2)CC1(C)C 431507525 TUQWHZOCIVYYMR-ZDUSSCGKSA-N 297.324 3.843 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](CC)CC(F)(F)F 432349216 WQQSRWYWEXUKHS-SNVBAGLBSA-N 280.334 3.619 30 20 CHED CC(=O)c1c(C)cc(C)c(CN(C)CC(C)(C)C#N)c1C 433300493 FILZNZYSCGVVGM-UHFFFAOYSA-N 286.419 3.796 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCCC(C)(C)C 437935014 QWNFYYNVFSUVNN-CYBMUJFWSA-N 269.454 3.745 30 20 CHED CCCOc1cc(F)ccc1N[C@@H]1CC[C@@H](C#N)C1 442868982 DGNUFZWKHMJSAF-DGCLKSJQSA-N 262.328 3.719 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)NCc1cccc(C#N)c1 446216081 QKXBELUUVYIKOU-AWEZNQCLSA-N 299.418 3.716 30 20 CHED Cc1cccc(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1C 448283991 QAVIGRAGWWGHPU-MOPGFXCFSA-N 298.430 3.731 30 20 CHED C[C@H](NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccc(C#N)cc1 448667747 YCCOBWOVDUPRIH-XJIUQZFPSA-N 284.403 3.808 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 448766289 YYKHFRDPGQYPCW-YCPHGPKFSA-N 287.378 3.777 30 20 CHED C=CC(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1 448774319 YGZKIYGKDHEJBL-UHFFFAOYSA-N 252.383 3.591 30 20 CHED C[C@H]1CCCN(CCCCNC2CCC(C)(C#N)CC2)C1 449084785 YTKDUQDRJUBISQ-AOCRQIFASA-N 291.483 3.561 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccc(C#N)c2)CCCC1 449440087 KQKIBXSVVHJTJT-UHFFFAOYSA-N 282.387 3.653 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCOC3(CCC3)C2)CCCCC1 450157092 MYMPIKBPTZXLAW-OAHLLOKOSA-N 291.435 3.731 30 20 CHED C[C@@H]1CN(c2cccc(Cl)c2C#N)CCC1(F)F 450530066 BVHBBRFAGWKHPG-SECBINFHSA-N 270.710 3.693 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCCCC1 450636719 OFCOQLSYNBZWAN-CVEARBPZSA-N 291.435 3.587 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2ccc(F)cc21 453369950 VDPFBURHUPPNTR-BBWFWOEESA-N 275.367 3.526 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(-c2ncco2)c1C 455501895 FQXQIJUXSKDPEZ-UHFFFAOYSA-N 285.347 3.738 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1scnc1C(C)C 455859389 FYMYOTKTTMORKA-JTQLQIEISA-N 267.398 3.743 30 20 CHED CC(C)[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@@H]1C(C)C 456304974 WUUZAUFQIAFWIJ-PKOBYXMFSA-N 298.430 3.630 30 20 CHED C=CCC1(CNC(=O)c2c(C)coc2C)CCCC1 456503101 IGCUBZGMGIMZTJ-UHFFFAOYSA-N 261.365 3.763 30 20 CHED C=C(CC)CNC(=O)[C@H](C)c1ccc(Cl)s1 456810108 DODVPPLRQBZMNA-SECBINFHSA-N 257.786 3.587 30 20 CHED CCN(C(=O)[C@@H](C)C1CCC1)[C@@H](C)c1ccc(C#N)cc1 457472491 QRAKQNBMWDIMIU-KBPBESRZSA-N 284.403 3.904 30 20 CHED C=C(C)CCNC(=O)N1CCCC[C@@H]1[C@H](C)CC 458989367 BBTKWFKZPOCIRN-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)[C@H](C)c1cccc(C#N)c1 461745590 KLPKQKVOKRAVDA-CABCVRRESA-N 292.382 3.881 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(OC(C)(C)C)cc1 463027013 BMQBPFQUGAYJLU-HUUCEWRRSA-N 291.435 3.699 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 464758059 OQAXYGSDLKDCMP-KGLIPLIRSA-N 260.381 3.580 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(Cl)c1OC 466405868 UKEOQAZKNURXSV-JTQLQIEISA-N 282.771 3.825 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 466968502 YPOSCIJFHKSBAS-WBMJQRKESA-N 290.382 3.667 30 20 CHED CN(Cc1cc(F)ccc1C#N)c1c(F)cccc1F 469090497 WPDXMVVJZNXPOA-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1C=CCC1 470638019 SVYADEXMVVURES-MRXNPFEDSA-N 269.388 3.948 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 472835232 OFBKIFQXOXODGL-RDJZCZTQSA-N 286.419 3.930 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCCc1ccccc1F 475477115 DFVJOVAMNFWBQN-HNNXBMFYSA-N 290.382 3.508 30 20 CHED C=C[C@H](C)NC(=O)c1ccc2nc(-c3ccccc3)oc2c1 476307471 HRKDBUGQRQIQOB-LBPRGKRZSA-N 292.338 3.799 30 20 CHED C=CCCCN1CCC(CCN2CCCC[C@H]2C)CC1 476987790 RLBRIFMMZGJTRR-QGZVFWFLSA-N 278.484 3.929 30 20 CHED C=C(C)CN(C)C(=O)c1cc(CC)c(CCC)s1 479306924 DANSLGAXIBKABG-UHFFFAOYSA-N 265.422 3.911 30 20 CHED CC[C@@H](C)CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 480111002 RTZAGBVJKULZIA-ZWNOBZJWSA-N 298.308 3.822 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NCc1cc(C#N)n(C)c1 480342789 ITELLOJGGLQSAK-WBVHZDCISA-N 273.424 3.591 30 20 CHED C=CCN1CCC(COc2ccccc2C(F)(F)F)CC1 481562980 CDDGNTPVZHFHCU-UHFFFAOYSA-N 299.336 3.982 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1C#N 483778210 QWZXUKXPQCWOGF-SMDDNHRTSA-N 274.339 3.852 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(F)c(CC)c1 486487887 KVPOHOFRAPUPEL-UHFFFAOYSA-N 264.344 3.818 30 20 CHED Cc1ccccc1[C@@H]1CN(c2ccc(C#N)cc2)[C@@H](C)CO1 487631939 ISZCFBQOAUASJI-KXBFYZLASA-N 292.382 3.833 30 20 CHED N#Cc1ccc(SC[C@@H]2CCC[C@@H](O)C2)c(Cl)c1 488254766 RJIVGICEVGCAAJ-VXGBXAGGSA-N 281.808 3.855 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)c1cccc(C)c1 488872647 HDFAHEMPBQVGFT-GDBMZVCRSA-N 257.377 3.666 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)Cc1ccccc1F 494406211 PIMHQVOJAGOXAE-ZFWWWQNUSA-N 290.382 3.507 30 20 CHED C=CC[C@@H](CC)NC(=O)NC(C)(C)c1ccccc1 494681912 WASSJXCCNUJRSE-CQSZACIVSA-N 260.381 3.576 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)CC(C)(C)C#N)CC1 505128960 MKUGWFGJYFQTPF-KGLIPLIRSA-N 264.413 3.647 30 20 CHED C=CCn1c(CC(C)C)nnc1N1CCC(C(C)C)CC1 508481567 SLGMAEHWNFQDDB-UHFFFAOYSA-N 290.455 3.535 30 20 CHED CCc1cccc(NC(=O)CC(C)(C)C#N)c1CC 508753680 IRZSYEXPGWECDQ-UHFFFAOYSA-N 258.365 3.690 30 20 CHED C=C(C)CCN1CCC(Nc2ccc(F)cc2)CC1 509348089 JXJFWMFDYLGNEU-UHFFFAOYSA-N 262.372 3.668 30 20 CHED C[C@@H](C#N)CN(C)Cc1cccc(OC2CCCC2)c1 509818035 FFNVBPIPSLSECE-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C[C@H]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)CC1 511881066 YDCLUNJUZUNNNY-UMSPYCQHSA-N 276.767 3.520 30 20 CHED C[C@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 520489987 PZQXCTVMTFBKAL-GFCCVEGCSA-N 297.333 3.623 30 20 CHED C=CCN(Cc1cccc(Br)c1)C1CC1 521480263 RHYTYNYKLTYQFN-UHFFFAOYSA-N 266.182 3.600 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](CC(C)C)C1 538288843 QQUZWGTZWAROOZ-GJZGRUSLSA-N 266.429 3.809 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC[C@H]1C(C)C 538369643 DOUCHXNRINREOI-GJZGRUSLSA-N 266.429 3.951 30 20 CHED C=C(CC)COc1ccc(NC(=O)c2ccco2)cc1 539095846 NZODDARCQFJLOI-UHFFFAOYSA-N 271.316 3.877 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cc(C)cc(OC)c1 539390265 MMICTQRUBBLVEM-AWEZNQCLSA-N 290.407 3.548 30 20 CHED Cc1ccccc1O[C@H](C)CN[C@H](C)c1ccc(C#N)cc1 539494693 MHHFDDMEXVPBFP-HZPDHXFCSA-N 294.398 3.985 30 20 CHED C=CCN(C(=O)Nc1ccc(C(C)C)cc1)C1CC1 540064644 QSHZFFNEPCWBBN-UHFFFAOYSA-N 258.365 3.992 30 20 CHED C=C(CC)CN1CCC(C(=O)c2ccc(OC)cc2)CC1 540194213 QDAPJMGDFYUWJX-UHFFFAOYSA-N 287.403 3.556 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H]1CSc2ccccc21 540490906 ZKIRHGSPLHOEGY-OCCSQVGLSA-N 290.432 3.877 30 20 CHED C=CCCOCCCCC(=O)NC[C@@H]1CCCC[C@@H]1C 540498220 SHRSLBDMCGWSKJ-HOTGVXAUSA-N 281.440 3.692 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](Cc1ccccc1)C1CC1 541220042 HUAOSHJWJUEBKE-IRXDYDNUSA-N 286.419 3.662 30 20 CHED Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1c(C)cccc1C 545454778 NDIGIMJEHBRBPR-HNNXBMFYSA-N 292.382 3.975 30 20 CHED C/C=C\COc1ccc(CC[C@H](C)NC[C@@H](C)C#N)cc1 547361822 PERULHLLEUTNCV-UDLYIEAKSA-N 286.419 3.712 30 20 CHED Cc1cc(C#N)ccc1OCc1ccc2ncccc2c1 547434391 BLJNUZRCQCUTMK-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=CCC(C)(C)CNCc1cc(OC)ccc1OC(F)F 550225321 DHNROYUUEBUWME-UHFFFAOYSA-N 299.361 3.989 30 20 CHED C=C(C)COc1cccc(NC(=O)C[C@@H]2C[C@@H]2C)c1 555021778 ZIXJVRKOTHQTTP-STQMWFEESA-N 259.349 3.626 30 20 CHED COC(=O)c1ccc(C)c(OCCCCC(C)(C)C#N)c1 555867298 VRBTWLDBIYSFAG-UHFFFAOYSA-N 289.375 3.881 30 20 CHED C=C(C)CCc1noc(-c2cc3ccc(OC)cc3[nH]2)n1 556806171 SAQAHEIBPFHLDR-UHFFFAOYSA-N 283.331 3.735 30 20 CHED N#Cc1ncccc1N1CC=C(c2ccccc2Cl)CC1 558595796 FOGDUANBWVMFRC-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C=C(C)[C@@H](Nc1cc(C#N)ccn1)c1ccc(F)c(F)c1 561273642 FWEFIGRKEYOONJ-MRXNPFEDSA-N 285.297 3.961 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)oc1C 562635549 ZUSXFEGZBHHOEJ-DOMZBBRYSA-N 274.364 3.548 30 20 CHED C[C@@H](NCCOCC1CCC1)c1ccc(C#N)cc1Cl 565517938 DPCOQDNECTXCRF-GFCCVEGCSA-N 292.810 3.679 30 20 CHED C[C@]1(Cc2cccc(F)c2)CCCN1CCCC#N 566174480 SNZTZTFGHQXMKQ-MRXNPFEDSA-N 260.356 3.526 30 20 CHED C=CCOCCCC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 568922275 HSXSQZNMUOVROO-LSDHHAIUSA-N 281.440 3.642 30 20 CHED CCc1ccc([C@@H]2CCCN(c3ccnc(C#N)c3)C2)cc1 573631597 HNCVGHACAIPHJP-QGZVFWFLSA-N 291.398 3.900 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H]2CCCSC2)c1 574728345 JCELCOATRASJDA-CYBMUJFWSA-N 291.416 3.723 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1cc(C#N)ccc1[N+](=O)[O-] 578410843 NKRQERIVZFRXLJ-OAHLLOKOSA-N 293.326 3.874 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C)OC3(CCC3)C2)CCCCC1 582967345 VIVRVIOBWKQCTI-OAHLLOKOSA-N 291.435 3.683 30 20 CHED CCCC1(C(=O)N[C@@H](C#N)c2ccc(CC)cc2)CC1 584745467 LTPHKGTZHUZSEY-HNNXBMFYSA-N 270.376 3.510 30 20 CHED C=C(C)CCNc1cccc(C(=O)OC)c1Br 584745489 LYRSEWBXQUUOGM-UHFFFAOYSA-N 298.180 3.614 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 584816327 QRIRGBYOFSDJLO-DGCLKSJQSA-N 261.365 3.622 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 586751410 ARKPACMPKUVRTB-KRWDZBQOSA-N 297.358 3.837 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C#N)cc2)c1F 588619096 NNFRNEJMJUMETE-KTKRTIGZSA-N 281.286 3.602 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1(C(F)F)CCCC1 588995371 CTHQDICDVZOSLO-UHFFFAOYSA-N 293.317 3.566 30 20 CHED N#C[C@H](C(=O)c1ccoc1)c1nc2cc(F)ccc2s1 592974175 PEDJNYNVGKIUMB-SNVBAGLBSA-N 286.287 3.518 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 593456144 AWQOAGBZCNHMSH-LLVKDONJSA-N 299.374 3.905 30 20 CHED CCC[C@H](CC)NC1CCN(Cc2cccc(C#N)c2)CC1 593703997 YCNOSRFSJVLCML-SFHVURJKSA-N 299.462 3.691 30 20 CHED CCCCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CC1 593959357 AJIXZJNGCAGQQJ-AWEZNQCLSA-N 284.403 3.528 30 20 CHED N#CCCSc1ccccc1NCC1(CC#N)CC1 594705909 QCQDSQZLWBKVBF-UHFFFAOYSA-N 271.389 3.798 30 20 CHED CC1(C)C[C@]1(CNCc1ccc(C#N)o1)c1ccccc1 596061865 LCBDKSCHTVOOGM-SFHVURJKSA-N 280.371 3.609 30 20 CHED COc1ccc(-c2ccc(F)cc2CO)cc1C1(C#N)CC1 596646390 LSASTQRPCAQYIA-UHFFFAOYSA-N 297.329 3.549 30 20 CHED CN(C)c1ccccc1N(C)C(=O)CC1(C#N)CCCCC1 597415906 PKPJHLWZJUUDDA-UHFFFAOYSA-N 299.418 3.580 30 20 CHED C[C@@H](CC(=O)N1CCC[C@H](CC#N)C1)C1CCCCC1 597912268 UFENCBSVSUSDRQ-LSDHHAIUSA-N 276.424 3.745 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 597994512 JFQWQQGDPGQAQA-QAPCUYQASA-N 296.414 3.552 30 20 CHED Cc1ccc2oc(CNC(=O)CCCCCC#N)cc2c1 598204217 VSOWXTVXRVYOLC-UHFFFAOYSA-N 284.359 3.832 30 20 CHED CC(C)c1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1 598588293 HTAWTPNKMVKVLJ-KRWDZBQOSA-N 288.435 3.543 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N[C@@H](C#N)C1CCCCC1 599629978 PTQVDTDREQTZIF-QAPCUYQASA-N 298.430 3.762 30 20 CHED N#CCc1ccc(N[C@H]2CCc3cccnc3CC2)cc1 601100363 AKYQQEYOIQTGEF-KRWDZBQOSA-N 277.371 3.507 30 20 CHED N#Cc1cccc(CNC[C@H]2CCC[C@@H]2c2ccccc2)n1 602672018 BUCNBXBKQPIIAQ-VQIMIIECSA-N 291.398 3.627 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@H](C)CC1(C#N)CCOCC1)CC2 602697147 DCOYQJNLDXVTHN-CRAIPNDOSA-N 298.430 3.671 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccc(Cl)c(C#N)n1 609675048 PWDVRBUKLZUNPU-TZMCWYRMSA-N 297.789 3.989 30 20 CHED CCc1cccnc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 611559436 AYWRSTZYVSCVMR-KGLIPLIRSA-N 279.387 3.927 30 20 CHED CCc1nnc(CS[C@H](C)c2ccc(C#N)cc2)s1 612019570 LTZQDHLRMPXUQH-SNVBAGLBSA-N 289.429 3.967 30 20 CHED C[C@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)CC(C)(C)C 613365895 PYDBCDXMYVDUFT-MLGOLLRUSA-N 266.429 3.893 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H]1CCc2ccccc21 614397532 BXUNXKSWMHSYEO-LJQANCHMSA-N 276.383 3.986 30 20 CHED Cc1cc(C)c(N[C@@H](C)c2cccc(C#N)c2)cc1CO 615705081 LNDHCOXKZHFRAE-AWEZNQCLSA-N 280.371 3.841 30 20 CHED C=CCCNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 617615571 RJHBOSPHWCUDRF-IRXDYDNUSA-N 265.356 3.636 30 20 CHED C=CCCNC(=O)C1(c2ccccc2OC)CCCCC1 617618501 RUVNZKIZXLIIGZ-UHFFFAOYSA-N 287.403 3.589 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3cc(C)ccc3[nH]2)C1 617786973 DXLFTFWNPDWASB-CQSZACIVSA-N 282.387 3.905 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618732688 CSEJSTGHIPWBMF-SUMWQHHRSA-N 284.403 3.734 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cncc(Cl)c2)no1 664919595 UDWHZVMTYMLJBM-ZDUSSCGKSA-N 263.728 3.639 30 20 CHED C=CC[C@@H](C)N[C@H]1CN(Cc2ccccc2)C(C)(C)C1 678929823 OQGGXVKERYNWDC-NVXWUHKLSA-N 272.436 3.594 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H](C2CCCCC2)C1 708254296 JSRZJSJKDGQKJG-QGZVFWFLSA-N 275.436 3.999 30 20 CHED C[C@H](Cc1ccsc1)Nc1ccc(OCC#N)cc1 709690825 AWFOJTSJVBSZIK-GFCCVEGCSA-N 272.373 3.694 30 20 CHED CC(=NNC1CCCC1)c1ccc(F)cc1Cl 727651868 CPDLOCGPRVLQSB-UHFFFAOYSA-N 254.736 3.735 30 20 CHED C(/C=C\c1ccco1)=NNc1cccc2cnccc12 728432786 BBZAALWPNYYXHY-SXBWANFFSA-N 263.300 3.939 30 20 CHED COc1ccccc1C(C)=NNCCCc1ccccc1 729147865 JUMBWVQKXYWLTI-UHFFFAOYSA-N 282.387 3.642 30 20 CHED C#CCOc1ccc(NC(=O)CC2=CCCCC2)cc1 730979360 GINJOSQWTVJJDM-UHFFFAOYSA-N 269.344 3.528 30 20 CHED Cc1ccc(C)c(NN=C2C(=O)Nc3c(F)ccc(C)c32)c1 732711874 WJNUSBRHNIRELX-UHFFFAOYSA-N 297.333 3.519 30 20 CHED N#Cc1cccc(COC(=O)c2coc3ccccc23)c1 733601042 ZFBVJHIQSRMXHA-UHFFFAOYSA-N 277.279 3.661 30 20 CHED CC1(C)CCC(=NNc2cnc3ccccc3n2)CC1 735971534 KISSOWGYWOMPBL-UHFFFAOYSA-N 268.364 3.998 30 20 CHED CSCCCCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 740527841 KROGTANURMDXDE-AWEZNQCLSA-N 298.411 3.944 30 20 CHED C#CCOc1ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 742379148 RWSLEQAGLBODCP-KZNAEPCWSA-N 283.415 3.757 30 20 CHED Cc1ccc(/C=C2/CCc3c(O)cccc3C2=O)cc1 742435724 XPEOMKZCKRXADM-KAMYIIQDSA-N 264.324 3.913 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2cc(C#N)ccc2C)o1 742595476 MDPGQBZFAGFUIT-LBPRGKRZSA-N 268.316 3.510 30 20 CHED C#CCCOC(=O)C[C@H](Cc1ccccc1)c1ccccc1 744050887 OGURCOBMOLDCFC-IBGZPJMESA-N 292.378 3.970 30 20 CHED CC#CCOC(=O)[C@@H](SCc1ccccc1)C(C)C 744935792 MYTHPQAGNUUQHA-HNNXBMFYSA-N 276.401 3.511 30 20 CHED CC(=NN=C1CC[C@H]2CCCC[C@H]2C1)c1cnccn1 745204095 RZNBBHUWHVCHHZ-KGLIPLIRSA-N 270.380 3.632 30 20 CHED CC(C)(CNc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 746719065 ZYORGNNTFRSCQU-UHFFFAOYSA-N 294.354 3.677 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C(C)C 747373665 MQOSCNGLFSABEF-HUUCEWRRSA-N 277.795 3.867 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cnc3cccc(C)n13)C2 749005225 IZUCOTFOTKDKJT-XNTDXEJSSA-N 288.350 3.774 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)s1 749005467 KDTJXXKHUALXRK-WAYWQWQTSA-N 281.336 3.546 30 20 CHED CSCC(=NNc1ccc(C#N)cc1)c1ccccc1 749446933 KPFZLLFEQBVFGS-UHFFFAOYSA-N 281.384 3.737 30 20 CHED COc1ccc(NN=C(C)c2cc(F)cc(F)c2)cc1 750925707 SEJNDSXYBMPXDE-UHFFFAOYSA-N 276.286 3.810 30 20 CHED Cc1cccc(NC(=O)N2CCC[C@](C)(C#N)C2)c1Cl 752685139 LHLBLISLHIQAGR-OAHLLOKOSA-N 291.782 3.806 30 20 CHED C=CCCCCCCCNC(=O)[C@@H](C)c1ccccn1 752985289 OGLGPJQWILGRPC-HNNXBMFYSA-N 274.408 3.828 30 20 CHED CCCCCCCCNC(=O)NCc1csc(C)n1 754842960 WHYGCVXKIDGZCP-UHFFFAOYSA-N 283.441 3.611 30 20 CHED CCCCCCCOC(=O)Cc1ccc2c(c1)COC2 755123423 ZKLPGSANEHMGAW-UHFFFAOYSA-N 276.376 3.773 30 20 CHED CCc1nc2ccccc2n1N=Cc1c(O)cccc1Cl 755624851 MXMIQPCUWYTQGX-UHFFFAOYSA-N 299.761 3.840 30 20 CHED Cc1ccc(-c2nc(C=NNc3cc(C)ccn3)co2)cc1 755770689 OKXAZIDZZXPOMG-UHFFFAOYSA-N 292.342 3.799 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2)c(O)c1C 756417229 LPPBUXRWFWNKAP-CQSZACIVSA-N 280.371 3.732 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCC[C@@H]2CC)c1 756808728 MOMRCALBULZTAM-ZFWWWQNUSA-N 272.417 3.533 30 20 CHED Cc1cc(NN=Cc2c(C)cc(Cl)cc2C)nc(C)n1 756880427 MOVSIWQRZKYSFM-UHFFFAOYSA-N 288.782 3.810 30 20 CHED C#CCCCC(=O)OCCSc1ccc(C)c(C)c1 759198664 WOVWYUPYFZNZKF-UHFFFAOYSA-N 276.401 3.742 30 20 CHED CCCCCCC(=O)OCc1cc(F)ccc1C#N 759355122 ZBYAAQNUONKMBV-UHFFFAOYSA-N 263.312 3.711 30 20 CHED COc1ccc(C(C)=NOCc2ccccc2OC)cc1 759637200 PRPZYXKUNVIAJG-UHFFFAOYSA-N 285.343 3.645 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc3c(c1)ncn3C)C2=O 761201544 WBRFDSLUWGGHJI-OVCLIPMQSA-N 288.350 3.704 30 20 CHED C#CCCc1noc(-c2cc3ccc(C(C)C)cc3[nH]2)n1 762016200 IJIPVZICIYRVAI-UHFFFAOYSA-N 279.343 3.907 30 20 CHED CCC(CC)c1noc(Cc2ccccc2CC#N)n1 762032325 KTBCWCOPCYBGRK-UHFFFAOYSA-N 269.348 3.630 30 20 CHED N#Cc1cc(C(=O)OCC[C@@H]2CCCc3ccccc32)c[nH]1 763049119 HCXCEGHWIINWKX-AWEZNQCLSA-N 294.354 3.553 30 20 CHED c1nc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c2sccc2n1 764840702 JUOCIUQGLJKTHM-KKOKHZNYSA-N 298.415 3.915 30 20 CHED CCC(Cc1cccs1)=NOCC(F)(F)F 764847955 WQHIDZUXUMJZOR-UHFFFAOYSA-N 251.273 3.636 30 20 CHED C#CCCCSc1nnc(-c2ccc(C)cc2)n1CC=C 766292671 KCXLBBPWSLJCNH-UHFFFAOYSA-N 297.427 3.945 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H]1CCOc2ccc(CC)cc21 767115963 DMSUOFMZDNPIIE-MRXNPFEDSA-N 286.371 3.665 30 20 CHED C[C@@H]1CCC[C@H](C=Nn2c(S)nnc2C(C)(C)C)C1 768351711 IKKSTIMQKLLDIT-MNOVXSKESA-N 280.441 3.525 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1ccsc1 768374410 GDSDEMDQIDLBQT-UHFFFAOYSA-N 276.752 3.504 30 20 CHED C[C@H](C#N)CN(C)Cc1ccccc1-c1ccccc1 768876041 BXFSLSUOTOPUCM-OAHLLOKOSA-N 264.372 3.945 30 20 CHED CCCCNN=Cc1ccc(F)cc1C(F)(F)F 771877491 RPEHGLNAACKKMG-UHFFFAOYSA-N 262.250 3.568 30 20 CHED C=C(CC)COC(=O)c1csc(C(C)(C)C)n1 773500765 IIZMOSMKEIARTC-UHFFFAOYSA-N 253.367 3.564 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(OCC(F)F)cc2)C1 774304020 TYWAFKPTUVBHSM-WCQYABFASA-N 280.318 3.825 30 20 CHED C#CCOc1ccccc1NCc1ccc(Cl)cc1C#N 774373542 MSLYRHFYIZCAEI-UHFFFAOYSA-N 296.757 3.836 30 20 CHED C=CCc1cc(CN2CC[C@@H](C)[C@H]2CC)c(O)c(OC)c1 774620199 VNVJJBWPCXDQJS-CZUORRHYSA-N 289.419 3.750 30 20 CHED CCCCC1CCC(C(=O)OCC2(C#N)CC2)CC1 775835348 FADSMGVHIOTSNO-UHFFFAOYSA-N 263.381 3.830 30 20 CHED Cc1cc(C)c(CC(=O)OCCC(C)(C)C#N)c(C)c1 776399764 OHFWOPIREJQMKV-UHFFFAOYSA-N 273.376 3.637 30 20 CHED O=c1ccccn1N=Cc1ccc(-c2ccc(Cl)cc2)o1 776786273 AGGBBUJJXXNOGP-UHFFFAOYSA-N 298.729 3.644 30 20 CHED C[C@H](C[C@H]1CCOC1)Nc1cccc(OCCCC#N)c1 776842095 TXHWSRIXZWSDAV-HUUCEWRRSA-N 288.391 3.596 30 20 CHED FC(F)(F)c1cccnc1C=NOC1CCCCC1 777456957 JFYJMVFNNUFWCB-UHFFFAOYSA-N 272.270 3.784 30 20 CHED CC(C)Oc1ccc(COC(=O)C(C)(C)C#N)cc1Cl 777813108 WVPPEXYIMMUCEZ-UHFFFAOYSA-N 295.766 3.720 30 20 CHED Cc1ccc(F)cc1C=NNc1ccc(Cl)nc1 777889392 UOYZRBTUZYMLSG-UHFFFAOYSA-N 263.703 3.629 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1nc2ccccc2s1 780187527 VUMOBJFANPMWQP-UHFFFAOYSA-N 295.367 3.764 30 20 CHED COCCC1(C=NO[C@H]2CCCCO2)CCCCC1 780238179 VDKDACKVISLZGM-AWEZNQCLSA-N 269.385 3.502 30 20 CHED Cc1cc(Cl)ccc1C=NN[C@H]1CCOC(C)(C)C1 780240320 BIYOWJUTWJVVIG-AWEZNQCLSA-N 280.799 3.530 30 20 CHED FC(F)(F)c1cc(Cl)cc(C=NN=c2cc[nH]cc2)c1 780243325 PPCOGOFEMJGHSA-UHFFFAOYSA-N 299.683 3.622 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1CC(F)(F)C(F)F 780384312 HEHRXZLDLXVFIL-NKWVEPMBSA-N 281.215 3.550 30 20 CHED CCOc1ccc(CC(=O)OCCCC(C)(C)C#N)cc1 780528861 WOTZSRYZXPOHRB-UHFFFAOYSA-N 289.375 3.501 30 20 CHED CC(C)c1cccc2c1OCCC2=NNc1ccnc(F)c1 781133659 ZRDHHLQFJYGUPE-UHFFFAOYSA-N 299.349 3.943 30 20 CHED Cc1cccc2c1CCN([C@H](C)c1cccc(C#N)c1)C2 782183217 IVOBDWXJBHADRR-OAHLLOKOSA-N 276.383 3.986 30 20 CHED COc1ccc(C=NN[C@H]2CCCC2(C)C)c(Cl)c1 782288007 NSLOCEONPIHMFL-AWEZNQCLSA-N 280.799 3.851 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2NCc2ccc(C#N)cn2)cc1 783301475 WXQGWWQQLOMPNO-OALUTQOASA-N 291.398 3.688 30 20 CHED Cc1c(F)ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1N 784646399 BOYBQZHWKMGGKH-LLVKDONJSA-N 298.317 3.506 30 20 CHED Cc1cc(COC(=O)[C@@H](C)c2ccccc2)ccc1C#N 784675880 LASLSDSXRNHYCO-AWEZNQCLSA-N 279.339 3.714 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccn(C2CCCC2)n1 785756598 BUCDXPDYOPSMRJ-INIZCTEOSA-N 276.380 3.644 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C(/C)c1ccccc1 785852046 FBWUAJMJVIZJHP-OMACXJQVSA-N 255.361 3.657 30 20 CHED C=CCCOC(=O)c1cc2ccccc2n1CC(F)(F)F 786337594 NYMLLERBUBBCMB-UHFFFAOYSA-N 297.276 3.937 30 20 CHED C/C(=C\C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(C)(C)C 786386156 LWPHXDBDPIESSP-ONOODXEBSA-N 282.387 3.654 30 20 CHED CCOCCC=NNc1ccc(Cl)c(Cl)c1 788424531 IAUIBXMCLORRPP-UHFFFAOYSA-N 261.152 3.818 30 20 CHED C#CCC1(C(=O)N2CCC[C@H](C)[C@@H]2C)CCCCC1 788447588 IQVYXTLJNZZGIG-GJZGRUSLSA-N 261.409 3.607 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C/c1cccnc1)C2=O 788736775 VNQAXCJLUYPMCV-CXUHLZMHSA-N 279.339 3.648 30 20 CHED C#CCOc1ccccc1NC(=S)Nc1ccsc1 790326017 ANDQVQBWDUOKOX-UHFFFAOYSA-N 288.397 3.569 30 20 CHED C#C[C@@H](CCC)NC(=O)C(C)(C)c1cccc(Cl)c1F 791742878 WYCPKAFHMUDGGF-NSHDSACASA-N 295.785 3.675 30 20 CHED C=CCc1ccc(OC(=O)C[C@@H](C)CC)c(OC)c1 791770600 YFNVQVCACAILIA-LBPRGKRZSA-N 262.349 3.765 30 20 CHED CC(=NNCCC(F)(F)F)c1ccc(Cl)cc1 794545587 MQIPNLRWWBVEJD-UHFFFAOYSA-N 264.678 3.606 30 20 CHED Clc1cccc(CNN=C[C@@H]2CCCSC2)c1 794919293 VTCOSJXZYSAFRU-LBPRGKRZSA-N 268.813 3.559 30 20 CHED Fc1cccnc1NN=Cc1cccc(Cl)c1Cl 794986094 YPSPYBXOBDVBDF-UHFFFAOYSA-N 284.121 3.974 30 20 CHED Cc1ccc(COC(=O)C[C@H](CC#N)c2ccccc2)nc1 795981385 ITXBJVREFAMAID-INIZCTEOSA-N 294.354 3.521 30 20 CHED C#CCOc1ccccc1CNCc1ccc2occc2c1 796306926 GKXHUXOOZPAVCV-UHFFFAOYSA-N 291.350 3.735 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 796473976 NIIOMFULSCVUJI-LBPRGKRZSA-N 257.333 3.765 30 20 CHED CN(C(=O)[C@@H](F)CC1CCCCC1)c1ccccc1C#N 796808858 LSGXWPFCAXEVTQ-HNNXBMFYSA-N 288.366 3.830 30 20 CHED CCCc1ccc(OC(=O)c2cc(C#N)oc2C)cc1 797954586 WKYKUOYHCCCXDC-UHFFFAOYSA-N 269.300 3.631 30 20 CHED Cc1ccc(C(=O)Oc2cccc3ncccc23)cc1C#N 799308784 DETBDWXCRCEDFH-UHFFFAOYSA-N 288.306 3.634 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H](CC(C)C)C2)cc1C#N 799350425 SYBDRFZCGDBYNX-OAHLLOKOSA-N 284.403 3.765 30 20 CHED N#CCOc1ccc(CNC2CCC(C(F)F)CC2)cc1 799719133 GYMTUBCHALKILN-UHFFFAOYSA-N 294.345 3.502 30 20 CHED COCC[C@H]1CCCC1=NNc1nc2ccccc2s1 799865942 PBHGYPVIWONVNT-LLVKDONJSA-N 289.404 3.901 30 20 CHED C[C@@H]1CC[C@H](C=NNc2ncnc3sccc23)C1 800808760 OZABVXWWAYIJRY-ZJUUUORDSA-N 260.366 3.525 30 20 CHED CC[C@](C)(C#N)C(=O)OCC(=O)c1cccc2ccccc12 803785087 VULHMEDQXMFXNR-GOSISDBHSA-N 295.338 3.506 30 20 CHED N#Cc1sc(NCCc2c(F)cccc2F)nc1Cl 804357939 RDQRONHSBBUPOH-UHFFFAOYSA-N 299.733 3.601 30 20 CHED C=C[C@@H](CC(=O)OCC(=O)CC(C)(C)C)c1ccccc1 805518885 CPXUMNPHGMFIMU-AWEZNQCLSA-N 288.387 3.895 30 20 CHED Cc1ccc(COC(=O)CCCCCC#N)cc1C 805697628 BOQSIFIFYFPKAE-UHFFFAOYSA-N 259.349 3.821 30 20 CHED N#CCOc1ccc(CN2Cc3cccc(Cl)c3C2)cc1 805805012 ISAKOGQLWGGNJV-UHFFFAOYSA-N 298.773 3.758 30 20 CHED C=CCc1cc(CN[C@H]2CC[C@@H]2CC)cc(OC)c1OC 806145987 PYBKMQMIVSCLBL-HOCLYGCPSA-N 289.419 3.711 30 20 CHED CC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)CCC#N 808093628 RDDDBCOZALGLBD-UHFFFAOYSA-N 289.335 3.539 30 20 CHED C#C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)C(C)(C)C 808316085 PNPUYAKWVJKGOJ-HOTGVXAUSA-N 298.430 3.827 30 20 CHED CC[C@H]1CC[C@@H](C)N1Cc1ccc(N(C)CCC#N)cc1 809768540 OGKPYMXLQMTZCB-WBVHZDCISA-N 285.435 3.799 30 20 CHED C#C[C@@H](NCc1cccc(OC)c1OC(C)C)C(C)(C)C 809782172 JNOXYABTUBFDBK-MRXNPFEDSA-N 289.419 3.620 30 20 CHED C=CCCCCOC(=O)CCc1nc(C2CCCC2)no1 811012328 HPGSUEWHWRBGKY-UHFFFAOYSA-N 292.379 3.559 30 20 CHED Oc1cc(C=NOC2CCCC2)cc(C(F)(F)F)c1 811646903 QAWGZJUNVNHZSH-UHFFFAOYSA-N 273.254 3.704 30 20 CHED c1cc2c3c(c1)C(=NNC[C@@H]1CCSC1)C[C@@H]3CCC2 811661424 KXLYUTHLBSOBMN-JSGCOSHPSA-N 286.444 3.557 30 20 CHED C=CCCCCCCCNC(=O)NCc1ccc(C)nc1 811857928 CHVGVYYTNAFNQY-UHFFFAOYSA-N 289.423 3.716 30 20 CHED C=CCCCCCCCNC(=O)NCC1(C)CCOCC1 811887819 FMWSNGOWUTZOBP-UHFFFAOYSA-N 296.455 3.629 30 20 CHED C#CCON=C(CCc1ccccc1)c1ccccc1 812233944 JNKIPUVAPMIIHY-UHFFFAOYSA-N 263.340 3.673 30 20 CHED C#CCCCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 813859610 XBHJCSXEDIHKBF-CRAIPNDOSA-N 289.394 3.687 30 20 CHED COc1ccc2cc(C=NOCC3CC3)ccc2c1 814244958 OPRYBVZPJMZNKF-UHFFFAOYSA-N 255.317 3.609 30 20 CHED CC(=NOCc1ccccc1)[C@@H](C)CCCCC(=O)O 814791662 IMWUAKTXYUKPBV-ZDUSSCGKSA-N 277.364 3.860 30 20 CHED Oc1cccc(C=NNc2cc(F)cc(F)c2)c1Cl 814813080 HNMWWGCKOIBWFT-UHFFFAOYSA-N 282.677 3.770 30 20 CHED COc1ccccc1CON=Cc1ncc(C(C)C)s1 814923383 GJNWLHLLJJCHEF-UHFFFAOYSA-N 290.388 3.826 30 20 CHED CC[C@H](C)CON=C1CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C 814939060 CLHMVZLKZOYEIC-TUAOUCFPSA-N 269.385 3.562 30 20 CHED FC(F)(F)CC=NNc1nc(C(F)(F)F)cs1 817326004 RDVFQGSADMGZID-UHFFFAOYSA-N 277.193 3.512 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1 825291311 JJIOCNXPPMGWNR-XYVMCAHJSA-N 284.403 3.646 30 20 CHED CCCc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)O)c2)cc1 829566687 SMSQVMNQOQTLON-RMKNXTFCSA-N 283.327 3.562 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1CCC(F)(F)F 829983050 XPKOSBFMRRJIBU-UHFFFAOYSA-N 283.293 3.779 30 20 CHED CC[C@@H](C)[C@H](C=NNc1ccc(Cl)cc1)OC 834914219 NBVHEWLMTJQOAF-MFKMUULPSA-N 254.761 3.799 30 20 CHED CC(=NOC(C)C)c1nc(-c2ccccc2)cs1 835000039 HVLMRJCZPXFXHW-UHFFFAOYSA-N 260.362 3.959 30 20 CHED CC(=NOC(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 835002525 MKAWKRURYGFEDY-LLVKDONJSA-N 264.325 3.574 30 20 CHED CC(=NNCc1ccc(C)cc1)c1coc(C(C)C)n1 835009512 XTXOXNDSVSNNHV-UHFFFAOYSA-N 271.364 3.620 30 20 CHED CC(C)CC(CC(C)C)C(=O)OCCCCC#N 835160431 WGFSNFLLKRAEJR-UHFFFAOYSA-N 253.386 3.932 30 20 CHED C[C@]1(C(=O)OCc2ccc(CC#N)cc2)CC=CCC1 835272712 CPJJUXQVEQANDY-KRWDZBQOSA-N 269.344 3.542 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc3ncsc3c2)C1 839445839 VBMZCRRDEXVYOS-PWSUYJOCSA-N 286.356 3.535 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)n(C)n1 841487388 NCLZFAVNPKSNPB-ZHACJKMWSA-N 282.387 3.922 30 20 CHED CS[C@@H](C)CCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940402 DGUNEYTXJKPJMQ-ONGXEEELSA-N 294.445 3.728 30 20 CHED C=C(CNC(=N)Nc1ccc2c(c1)CCC2)c1ccccc1 849077741 KVKNWYYGOAGILK-UHFFFAOYSA-N 291.398 3.825 30 20 CHED C=CCCCCOC(=O)[C@@H]1CCNc2cc(F)ccc21 849832981 UPAZUSSAXAIREP-CQSZACIVSA-N 277.339 3.624 30 20 CHED C=C[C@H](OC(=O)[C@H](OC)c1cccc(OC)c1)C(C)(C)C 851008128 LSEFAMKHZXAPII-LSDHHAIUSA-N 292.375 3.527 30 20 CHED Cc1c(C(=O)O[C@H](C)CC(C)(C)C#N)ccn1C(C)C 851203784 FLMVDTGXOXZWPJ-GFCCVEGCSA-N 276.380 3.863 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc2ccccc2o1 851214124 NSZIGFILIJUYAK-LLVKDONJSA-N 271.316 3.918 30 20 CHED CCOc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851214581 SIUVGNIUBCAMEB-LBPRGKRZSA-N 275.348 3.570 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc(Cl)c(C(=O)O)c1 853258455 PYHXMWFVCHPZIN-UHFFFAOYSA-N 293.754 3.766 30 20 CHED CCCC(=CC(=O)N1CCC[C@@H](CC#N)C1)CCC 855254932 SWDQRPZZLIOPGC-HNNXBMFYSA-N 262.397 3.665 30 20 CHED Cc1ccc2occ(CC(=O)O[C@@H]3CCC[C@@H](C#N)C3)c2c1 860825515 KBTVCIXETDVLFF-UKRRQHHQSA-N 297.354 3.909 30 20 CHED CCCON=C(C)CCc1cncc2ccccc12 872383404 DTXCAEYBSVPTTN-UHFFFAOYSA-N 256.349 3.970 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1cc(C)co1 878954126 RQSBDFIBWLVPSV-UHFFFAOYSA-N 283.331 3.534 30 20 CHED C=CCCCCN[C@@H](Cn1ccnc1)c1ccccc1 880568994 GIAZIZMNSCUFMP-KRWDZBQOSA-N 269.392 3.570 30 20 CHED CC[C@@H](C#N)OC(=O)c1c(Cl)cccc1C(F)(F)F 885416855 NIOKHNIBFOULOP-ZETCQYMHSA-N 291.656 3.818 30 20 CHED C=CC(C)(C)CC(=O)Nc1ncc(Cl)cc1Cl 887848561 RJLPEWAIMQTBBV-UHFFFAOYSA-N 273.163 3.929 30 20 CHED C=C1CCC(C(=O)Nc2nc3c(s2)CSCC3)CC1 890509226 HNKRLSBRYVXDTI-UHFFFAOYSA-N 294.445 3.617 30 20 CHED C=C1CC(c2noc(-c3ccccc3OCC3CC3)n2)C1 896876812 AATNUUWZYIUBHE-UHFFFAOYSA-N 282.343 3.959 30 20 CHED C=C1CC(c2noc([C@H](C)OCc3ccccc3)n2)C1 896881266 GOVNLVFKJXQVKG-LBPRGKRZSA-N 270.332 3.781 30 20 CHED C=C1CC(c2noc(Cc3c[nH]c4c(C)cccc34)n2)C1 896881460 BUOSGHNMCFINFM-UHFFFAOYSA-N 279.343 3.884 30 20 CHED COC[C@H](S[C@H]1CC[C@@H](C#N)C1)c1ccccc1 901661586 GUCSZBOWECUVDB-SNPRPXQTSA-N 261.390 3.800 30 20 CHED CC1CC(CSCCCC2(C#N)CCOCC2)C1 901884762 WWEROUOVZCKXMH-UHFFFAOYSA-N 267.438 3.866 30 20 CHED CC(=NO[C@@H](C)c1nc(C2CC2)no1)c1ccc(F)cc1 902857089 XVQOBPYNJXXOBR-JTQLQIEISA-N 289.310 3.588 30 20 CHED CC[C@@H](N[C@H](C)CC(F)(F)F)c1cccc(C#N)c1 902958218 XVXFJQLTTZQKMZ-ZWNOBZJWSA-N 270.298 3.940 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc(-c2ccc(F)cn2)no1 904935791 BJTPRMRFSFXXMF-AWEZNQCLSA-N 295.317 3.979 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)c(C(=O)O)c1 907583078 YUCLKALAUQBINI-VIFPVBQESA-N 281.739 3.579 30 20 CHED CC(Cl)(Cl)C(=O)OCCCCC1(C#N)CCC1 909141735 KQUIJUFKBXLJNT-UHFFFAOYSA-N 278.179 3.588 30 20 CHED CCC(C=NNc1nc2cc(F)c(F)cc2[nH]1)CC 912825255 NVWYGMVHMUQWLJ-UHFFFAOYSA-N 266.295 3.675 30 20 CHED C=CCOc1ccc(/C=C\C(=O)OCCCC)cc1OC 913259234 OCXHMSXVFLSZEF-NTMALXAHSA-N 290.359 3.617 30 20 CHED CCCCCCCC(=O)NCc1cccc(COC)c1 915634494 ZOINPBBIBQMUOC-UHFFFAOYSA-N 277.408 3.810 30 20 CHED Cc1ccc(NC(=S)NN=Cc2cccs2)cc1C 915919319 RIAUGHRNVQXZGP-UHFFFAOYSA-N 289.429 3.685 30 20 CHED COc1ccc(O)c(/C=N\C[C@H](C)c2ccc(F)cc2)c1 920178346 OVTFECNCIBEYQQ-XHEYCZLTSA-N 287.334 3.763 30 20 CHED Cc1ncc(CON=Cc2ccccc2OC(F)F)s1 920256938 ICVJPIKNQUFMNB-UHFFFAOYSA-N 298.314 3.604 30 20 CHED Oc1nc2ccccc2cc1C=Nc1cccc(F)c1F 921260953 IXJLTAMJGZOZNZ-UHFFFAOYSA-N 284.265 3.969 30 20 CHED COc1cc(OC)c(N[C@H](C)CC(C)(C)C#N)cc1F 926098255 UQXKQXWAMRTQMY-SNVBAGLBSA-N 280.343 3.583 30 20 CHED CC[C@H](C)c1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1 928219577 AFRIGSQCJBLGGG-UONOGXRCSA-N 270.376 3.576 30 20 CHED C#CCN(C(=O)Nc1ccccc1SC(F)F)C(C)C 929336818 GPLHHAGLYNSJKE-UHFFFAOYSA-N 298.358 3.877 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1CCSc2ccccc21 929392076 ZUVRGSGYHCQSBW-JSGCOSHPSA-N 275.417 3.942 30 20 CHED CN(CCCCC1(C#N)CCC1)C(C1CC1)C1CC1 929419916 OQHKRXPDDKTMPT-UHFFFAOYSA-N 260.425 3.971 30 20 CHED N#CC1(CCCCN(CC(F)(F)F)C2CC2)CCC1 930115614 ZOZSLUNLFKBHSO-UHFFFAOYSA-N 274.330 3.877 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](CC(F)(F)F)C(C)C 935557079 QFYHEEONGWTOJP-QWRGUYRKSA-N 265.319 3.682 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccc(SC)cc1 935697941 OUTIBPWJCIZXNL-HNNXBMFYSA-N 289.444 3.908 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC[C@H]1CCCC[C@@H]1C 1126126664 MCVCWSYOMVUZOI-XJKSGUPXSA-N 284.403 3.813 30 20 CHED CC1(C)Cc2cccc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)c2O1 1129608624 HASRLAWMXQFORL-OCCSQVGLSA-N 299.370 3.639 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc2c(c1)C[C@@H](C)O2 1178901551 RRHHLKQOBFPQCS-CYBMUJFWSA-N 278.355 3.802 30 20 CHED N#Cc1cc(N(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)ccn1 1184973735 ZJCTWRBWCFCCMD-KKUMJFAQSA-N 281.403 3.748 30 20 CHED CO[C@@H]1CCC[C@@H](Sc2nc(C)cc(C)c2C#N)C1 1188086221 YWRAWZAIIQURRI-CHWSQXEVSA-N 276.405 3.620 30 20 CHED CC(C)CC1(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1197131553 GJKBYDLOCKUSKF-UHFFFAOYSA-N 291.782 3.912 30 20 CHED CCc1ccc(NC(=O)NCc2ccc(C#N)c(F)c2)cc1 1202945068 CYBMOGNFTXKFFF-UHFFFAOYSA-N 297.333 3.581 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1cc(F)cc(C#N)c1 1208346234 QQLZBSQQRVGGQB-JTQLQIEISA-N 277.343 3.644 30 20 CHED CC(C)OCc1ccccc1CNc1cccc(CC#N)n1 1255096764 XFTQIJCNLNPOPC-UHFFFAOYSA-N 295.386 3.685 30 20 CHED CC[C@@H](C)CCNc1nccc(Oc2cccc(C#N)c2)n1 1307159702 CMNMVXARDMFPRM-CYBMUJFWSA-N 296.374 3.989 30 20 CHED C=CCCCOC(=O)[C@H](C)c1ccc(F)cc1F 1322189751 NFZLHDZEGQNUEC-SNVBAGLBSA-N 254.276 3.578 30 20 CHED N#Cc1sc(Oc2cnc(F)cc2Cl)nc1Cl 1323218009 DXIVOPHVLIXEAG-UHFFFAOYSA-N 290.106 3.648 30 20 CHED C#CCN(CC1CC1)C(=O)/C(C)=C\c1cccc(Cl)c1 1324612101 PXVTXAMRVJNPHO-RAXLEYEMSA-N 287.790 3.615 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cc2n(n1)CCC2 1325298912 QICMBUMYDDEFDN-UHFFFAOYSA-N 288.782 3.627 30 20 CHED C=C(C)CCOC(=O)C1(Sc2ccccc2)CC1 1325941418 FCONFPZMOAHEBD-UHFFFAOYSA-N 262.374 3.821 30 20 CHED Cc1c(C#N)cccc1-c1nc(-c2ccc(F)cc2F)no1 1326298730 NQFYGTGUUMYNTR-UHFFFAOYSA-N 297.264 3.862 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1cccc(C#N)c1C 1327101929 OQPOVDLYGPKAMM-UHFFFAOYSA-N 290.322 3.520 30 20 CHED CC[C@@](C)(C#N)c1nnc(-c2ccc(Cl)cc2OC)o1 1330091669 BIXLDBPNUZYLJE-AWEZNQCLSA-N 291.738 3.590 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2ccc(OCC)cc2C1 1330671688 GUOUYFLMYZVRRJ-UHFFFAOYSA-N 287.403 3.572 30 20 CHED C=C(C)CCC(=O)N[C@H](c1ccco1)c1ccccc1OC 1337535384 NGFWLOKTNYCWBR-SFHVURJKSA-N 299.370 3.850 30 20 CHED N#Cc1ccc(OCc2nnc(C=C3CCCCC3)o2)cc1 1341311448 VXLSTZRHQVFGHR-UHFFFAOYSA-N 295.342 3.868 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@@H]2CCC=C)c1 1344565131 LRXFFOHPKSTJRF-INIZCTEOSA-N 268.360 3.630 30 20 CHED CCc1nc([C@@H](C)Nc2cc(C#N)cc(Cl)n2)cs1 1347990112 KWAHMASUGJKFDM-MRVPVSSYSA-N 292.795 3.799 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1349597306 WCYPGXFRYJUWAD-LSDHHAIUSA-N 296.418 3.682 30 20 CHED C=CC[C@@H](C)NC[C@H](O)c1ccc(Cl)cc1Cl 1353317230 VGFOESIRFQYJMN-RNCFNFMXSA-N 274.191 3.581 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(-n3cccc3)c2)C1 1436649825 RIFAXJPPMXVEFW-PBHICJAKSA-N 294.354 3.716 30 20 CHED Cc1cc(N2CC3(CCCC3)[C@H]2C(C)C)ncc1C#N 1458430627 FNBPEFLPZVNMCB-MRXNPFEDSA-N 269.392 3.667 30 20 CHED C[C@@H](NC(=O)c1ccsc1C#N)c1cc2ccccc2o1 1458995666 QRBNCDDZAQVYCZ-SNVBAGLBSA-N 296.351 3.857 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cccc2c1CCC2 1461897275 LKEBAHLFTAQKQB-UHFFFAOYSA-N 270.420 3.937 30 20 CHED COc1cc(-c2ccccc2)ccc1CN1CC(C)(C#N)C1 1462316590 OKVBKVKYUDKSIM-UHFFFAOYSA-N 292.382 3.708 30 20 CHED C=C(Cl)CN(C)[C@]1(c2ccccc2)CCCCC1=O 1473389924 YWAJXJMYRCQCHH-INIZCTEOSA-N 277.795 3.709 30 20 CHED COc1c(Cl)cccc1NC(=O)c1csc(C#N)c1 1535032583 XLSDTLUTHVVNGM-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC(C)c1ncsc1C(=O)Nc1cc(F)cc(C#N)c1 1535154415 JRWQLJCUXCTOBB-UHFFFAOYSA-N 289.335 3.530 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H]1CCOc2c(C)cccc21 1548691845 SGSSKAMDIRCIPQ-OAHLLOKOSA-N 273.376 3.537 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1cccc(C#N)c1 1583878364 SWUWVRLEFQUJKQ-QZTJIDSGSA-N 298.430 3.823 30 20 CHED C[C@H](NC(=O)c1ccsc1C#N)[C@H]1CCC[C@@H](C)C1 1585135221 NVPROIHIRKJDLC-WOPDTQHZSA-N 276.405 3.564 30 20 CHED C=C(C)c1cccc(NCc2cc(-c3nn[nH]n3)cs2)c1 1588443388 ZAIOAHJYYQCDOP-UHFFFAOYSA-N 297.387 3.573 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(C(=O)O)ccc2C)c1 1597130871 YJYUBAJHHDAXST-UHFFFAOYSA-N 299.326 3.548 30 20 CHED CC(C)[C@H](Cc1ccccc1)NC(=O)c1sccc1C#N 1597787669 QLKXTRJHJICJAM-HNNXBMFYSA-N 298.411 3.617 30 20 CHED CC(C)(C#N)CC(=O)N(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 1627493442 SWVPOPOWIIKUDC-SOUVJXGZSA-N 288.435 3.744 30 20 CHED C=C(Br)CN[C@H]1CCC[C@@H]1CCCC 1642621691 ZGIUSOMYOUKJOZ-RYUDHWBXSA-N 260.219 3.844 30 20 CHED Cc1ccc(C#N)c(Nc2cccc(-c3ccon3)c2)n1 1643223651 ZVWYBCCGHFRVDQ-UHFFFAOYSA-N 276.299 3.660 30 20 CHED Cc1cccc([C@H](C)NCc2ccc(F)cc2C#N)c1 1653855937 QUGYUMOMIDJQQA-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED COc1ccc(CNc2cc(C)c(C#N)cn2)cc1Cl 1655833386 YCRYZMBLYVILAG-UHFFFAOYSA-N 287.750 3.536 30 20 CHED N#Cc1cccc(CN2CCCc3c(F)cccc32)c1F 1657479080 JCASQSHLWFOVEY-UHFFFAOYSA-N 284.309 3.789 30 20 CHED CN(CCc1ccc(C#N)cc1)c1cccc2cccnc12 1658475013 YGGNQEPDROPYKQ-UHFFFAOYSA-N 287.366 3.785 30 20 CHED N#Cc1ccccc1OCCN1CCc2cc(Cl)ccc21 1660527548 PSQLJLVJSIFGSF-UHFFFAOYSA-N 298.773 3.653 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cc(F)cc(C#N)c1 1672410216 KIIULYSMYWWGJJ-QWRGUYRKSA-N 289.354 3.644 30 20 CHED N#Cc1ccsc1NC(=O)NCc1coc2ccccc12 1673282721 KGVMVOHKIQDISF-UHFFFAOYSA-N 297.339 3.688 30 20 CHED O=C(O)c1ccc(C=NNc2cccc(Cl)c2)cc1F 1776032692 KFYZDYAMCNVKSY-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=C(Cl)C[C@@H](NCc1ccc(C2CC2)c(C)c1)C(=O)O 1776142781 JAIJIDLBMOELDQ-OAHLLOKOSA-N 293.794 3.558 30 20 CHED C=CCCCCN(C)Cc1cc(C(=O)O)sc1C 1776174981 WWAPKKINHATJAR-UHFFFAOYSA-N 267.394 3.543 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)c1nc2ccccc2[nH]1 54867407 YYHHLLYYWCCUHA-SNVBAGLBSA-N 280.306 3.747 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCc2c(Cl)cccc21 56900393 RPESDXRVOPSNQN-OAHLLOKOSA-N 292.810 3.935 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCCC1=CCCCC1 58453704 HXZAJVKMFCMYLB-UHFFFAOYSA-N 283.375 3.879 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1ccc(O)c(Cl)c1 119276753 PRECFIJISLOLSY-DAFODLJHSA-N 294.137 3.990 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1oc2ccc(F)cc2c1C 56410049 YOHIBZGPGFKCCI-JTQLQIEISA-N 288.322 3.502 30 20 CHED C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)c1cccc(F)c1 172968471 REWCBHZXHPGVEZ-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C#Cc1cccc(NC(=O)Nc2cccc(C)c2C)c1 113535509 DPMOBTNZMYOUSW-UHFFFAOYSA-N 264.328 3.929 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(Cl)cc1F 116996925 MRSSVUGQSYUQEZ-QMMMGPOBSA-N 256.708 3.565 30 20 CHED CC[C@H](SC)C(=O)Nc1sc2c(c1C#N)CCCC2 178450310 KCSIOMKQJMDPOM-NSHDSACASA-N 294.445 3.579 30 20 CHED COc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1 60340075 QCPZBJHECPIRCW-GXDHUFHOSA-N 280.323 3.613 30 20 CHED COc1cc(C(=O)Nc2sccc2C#N)ccc1Cl 179883534 RSRCSZUFGHNYMP-UHFFFAOYSA-N 292.747 3.534 30 20 CHED N#Cc1ccsc1NC(=O)[C@@H]1CCCc2sccc21 137796018 KLMILZJMPPISIH-LLVKDONJSA-N 288.397 3.740 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C1CCC1 116955398 KAGZAAUUFXCIKW-CJNGLKHVSA-N 272.392 3.792 30 20 CHED C#CCCCNC(=O)Nc1cccc(N2CCCCCC2)c1 173561112 WKBGMOIYIFDNQS-UHFFFAOYSA-N 299.418 3.602 30 20 CHED CC(C)C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1 301438187 SUWSTASLYRBVGL-NSHDSACASA-N 297.324 3.844 30 20 CHED Cc1ccc(CNc2ccc(Cl)c(C#N)n2)cc1 301137701 DAIVRWHCMWJFCI-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=C(C)CSCC(=O)c1cc(C)n(CCCOC)c1C 177865193 HJRRILQYTPZARY-UHFFFAOYSA-N 295.448 3.633 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1cc(C)cc(C)c1 116957269 FFNUQQNIJHFASU-UONOGXRCSA-N 260.381 3.628 30 20 CHED CCc1nc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cs1 174078185 OVYLMTKEEQWOHY-VXGBXAGGSA-N 285.416 3.989 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(c1ncccc1C#N)CC2 302055388 QFHCQHPTNSKPER-UHFFFAOYSA-N 291.398 3.813 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(c2cccc(C#N)n2)C1 301332589 AWWUISKZYAUVDP-LSDHHAIUSA-N 277.371 3.644 30 20 CHED C=CCOCCCC(=O)NC(C)(C)c1ccc(Cl)cc1 173024841 BIEUGYPQQYJNJY-UHFFFAOYSA-N 295.810 3.674 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc(Cl)cc2Cl)C1 179863332 UUBVXSWSJLXDPX-SCZZXKLOSA-N 284.142 3.842 30 20 CHED C[C@@H](CNc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C)C1 303542294 YRUIAEPCXSQWQD-OLZOCXBDSA-N 291.826 3.744 30 20 CHED C[C@]1(C/N=C(/N)Nc2ccccc2)CCCc2ccccc21 305771157 KDWCKTNLJPCHJV-LJQANCHMSA-N 293.414 3.707 30 20 CHED N#Cc1ccc(NCCc2ccccc2C(F)(F)F)nc1 64915721 ZBVMKCHQVSLEGW-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=CCC[C@H](Nc1nccc(N(C)C)n1)c1ccccc1 301770667 JBLYARZEEWLOCO-HNNXBMFYSA-N 282.391 3.662 30 20 CHED C=CCCOCCNC(=O)Nc1cccc(C(C)C)c1 122487039 GRDPENFQWBWJFZ-UHFFFAOYSA-N 276.380 3.524 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CCOc2ccc(F)cc21 68765460 BZGVGOBGRUNGOV-OAHLLOKOSA-N 286.281 3.772 30 20 CHED Cc1cncc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 189815427 BBNJPIRPANUDPB-UHFFFAOYSA-N 279.387 3.672 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 39424579 DEMTTXCFDLXBHH-ACCUITESSA-N 295.294 3.644 30 20 CHED CC[C@@H](C)Sc1ccc(N[C@@H](C#N)COC)c(C)c1 181331070 VQVQPBAAVOHZND-OLZOCXBDSA-N 278.421 3.836 30 20 CHED C=CCC[C@@H](NC(=O)N(C)CC(=C)C)c1ccccc1 181573343 XBCWIJVGCPIFOL-MRXNPFEDSA-N 272.392 3.911 30 20 CHED COCCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 185729694 WZBQAHUZKKOSOS-HUUCEWRRSA-N 288.391 3.515 30 20 CHED N#Cc1ccc(NC(=O)CCSc2ccccc2)cc1 14908530 USXCLCLKBONFBR-UHFFFAOYSA-N 282.368 3.679 30 20 CHED CCN(Cc1ccccc1OC(F)(F)F)C[C@H](C)C#N 120519115 IVJUUAOGFSKPFS-LLVKDONJSA-N 286.297 3.567 30 20 CHED N#Cc1ncccc1NC[C@@H]1CCCCC(F)(F)C1 488429578 MKFLVEHCSYNUQR-LLVKDONJSA-N 265.307 3.581 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(Cc2ccccc2)CC1 184869348 NWKMPUHOSHTDRU-UHFFFAOYSA-N 283.415 3.517 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)OCC(C)(C)CC#N 184776093 NOPHMIGOERVIKL-UHFFFAOYSA-N 284.359 3.502 30 20 CHED CCC(CC)c1cc(CN[C@H]2CCC[C@H](C#N)C2)on1 185844472 KTLJKXPFAMEIOY-JSGCOSHPSA-N 275.396 3.750 30 20 CHED CC(C)C[C@@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 416344807 DMCFJDKJMQPLOT-MRXNPFEDSA-N 284.403 3.626 30 20 CHED CC(C)c1ccc(C(=O)N2CCc3cc(C#N)ccc32)cc1 416017802 JYUIRRHAOFUERS-UHFFFAOYSA-N 290.366 3.885 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C(C)C)[C@@H](C)c1ccccc1 410898055 VBMZTJYXEYYYFB-HOTGVXAUSA-N 289.419 3.966 30 20 CHED C=CCN(CC=C)C(=O)CCCc1c[nH]c2ccccc12 35128252 RJRCPRITCFURGD-UHFFFAOYSA-N 282.387 3.691 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N(CC1CC1)CC1CC1 78836377 DCXOTUUONNTYLS-UHFFFAOYSA-N 295.308 3.598 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(-c2ccccc2F)o1 188027429 HFVOEJUIFWIQGR-NSHDSACASA-N 287.290 3.935 30 20 CHED C=C(Cl)C[S@@](=O)Cc1cccc(C(F)(F)F)c1 125039270 SQKDSDJWZLFRKF-KRWDZBQOSA-N 282.714 3.707 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccccc1)c1ccccc1 73982120 NMVMLLBENRXLMC-OAHLLOKOSA-N 281.355 3.673 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)CC#N)c(C)c1 414172623 WFNYSHWYKRHLKR-CYBMUJFWSA-N 260.381 3.594 30 20 CHED N#CCCN(Cc1ccc(F)c(Cl)c1)Cc1ccco1 159570415 XFSUIKOGNVEOBX-UHFFFAOYSA-N 292.741 3.988 30 20 CHED CCN(Cc1cccc(F)c1)C(=O)c1cccc(CC#N)c1 78796034 SFILAOGRAKREHQ-UHFFFAOYSA-N 296.345 3.554 30 20 CHED C[C@H](CCc1c(F)cccc1F)NCC1(C#N)CCC1 418143277 PAQHBXWAPMKVPF-GFCCVEGCSA-N 278.346 3.569 30 20 CHED C=C(Br)CN[C@H](CC)c1ccc(C)cc1 133308555 GYUDTDNLPIGIPY-CYBMUJFWSA-N 268.198 3.944 30 20 CHED CC(C)C(=O)Nc1scc(C(C)(C)C)c1C#N 75296504 CQFHQPJORFEQHT-UHFFFAOYSA-N 250.367 3.512 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccc(C#N)cc1F 182553622 YJJKUYNGQVZFDF-GFCCVEGCSA-N 295.317 3.600 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411322282 JQRJTJQCTADENE-BVPBIZIASA-N 296.414 3.699 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2ccc(Cl)s2)n1 43399419 WFAHDYCHYVBXHI-UHFFFAOYSA-N 277.780 3.613 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@@H](C(O)=Nc3ccccc3)C2)C1 328708131 AYWDGAILDWRLQY-INMHGKMJSA-N 297.402 3.679 30 20 CHED CCOCc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 193891619 WPBVJATUISWNPI-HNNXBMFYSA-N 294.398 3.946 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 223627692 PMHNQDQLCOOHRP-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C=C(C)CCc1noc(C2(c3cccc(F)c3)CC2)n1 508684714 COVCLHYVKNCUHX-UHFFFAOYSA-N 272.323 3.797 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(SC)c(F)c2)cn1 132714953 IQHOTZKDGBGKHL-GQCTYLIASA-N 290.363 3.660 30 20 CHED N#CCC1(COc2ccccc2C(F)(F)F)CC1 88259726 GQJXFEMWKKZZSR-UHFFFAOYSA-N 255.239 3.778 30 20 CHED C=C1CCN(Cc2nc(-c3cccs3)oc2C)CC1 264486056 RLRWXDLRNSEFLS-UHFFFAOYSA-N 274.389 3.864 30 20 CHED CC(C)c1cc(N(C)[C@H](C)c2cccc(C#N)c2)ncn1 425285502 SJQKTWWYSFETJN-CYBMUJFWSA-N 280.375 3.669 30 20 CHED C[C@@H]1CCC[C@@H]1N/C(O)=N/[C@H]1CCOC2(CCCCC2)C1 328689215 CYZBMHZWKAXRNF-ILXRZTDVSA-N 294.439 3.561 30 20 CHED CCC(CC)OC(=O)CSCc1ccc(C#N)cc1 135340936 HDJKVNFMLNCJNH-UHFFFAOYSA-N 277.389 3.523 30 20 CHED COC1(CC/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)CCC1 329575267 VMTZQDAEZCZPLB-STQMWFEESA-N 295.423 3.544 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 191596931 GCKNHAUCYPJVIH-KFWWJZLASA-N 299.418 3.912 30 20 CHED C[C@H](C#N)CNc1nc(-c2cccs2)nc2ccccc12 80757733 WCQIHZXQMDFKFO-LLVKDONJSA-N 294.383 3.930 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCOC1CCC1 516577732 IYYAAWTUXIAZAK-UHFFFAOYSA-N 276.376 3.680 30 20 CHED N#CCCC[C@H](NC(=O)[C@]12CCC[C@@H]1C2)c1ccccc1 421572774 FOBTXOADKSOXJU-RYRKJORJSA-N 282.387 3.728 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C)cc1OCCC 193643918 NANYJYDDHVIESO-UHFFFAOYSA-N 288.391 3.990 30 20 CHED CC1(C)C(C(=O)[C@H](C#N)c2nc3ccccc3o2)C1(C)C 80282268 ZOMIMIAWNBGFRD-JTQLQIEISA-N 282.343 3.686 30 20 CHED CC1(NC(O)=Nc2cccc(OC(F)F)c2)CCCC1 330458821 ZHCPHQXKPWNCPS-UHFFFAOYSA-N 284.306 3.756 30 20 CHED CC[C@H](N=c1cc[nH]c(C#N)c1)c1cccc(Cl)c1 519593242 SWFVYYBMDJAFKL-HNNXBMFYSA-N 271.751 3.592 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(F)c(Cl)c1 190863250 IICWBBBLMZGOJD-SNVBAGLBSA-N 291.757 3.540 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(O)c(OCC)c2)no1 424356137 KYHHIHZTSQVPCN-UHFFFAOYSA-N 288.347 3.695 30 20 CHED C[C@H]1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 424324995 KOVYLXPULIGKBZ-SZOQZIPDSA-N 254.377 3.907 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(Cl)c1O 424759295 VVRBJCIBZNOYFW-UHFFFAOYSA-N 253.729 3.586 30 20 CHED C[C@@]1(CNc2cc(C#N)ccn2)C[C@H]1c1ccccc1 338737345 BJBIPSUKEOMEEG-RDJZCZTQSA-N 263.344 3.559 30 20 CHED CCN(/C(O)=N/CCc1cccc(C#N)c1)C1CCCCC1 330985417 PXSLDHLSNZZVJY-UHFFFAOYSA-N 299.418 3.669 30 20 CHED CCc1noc2ncc(/C(O)=N/CCC(C)(C)C)cc12 330540120 RMMKGSBIOAOMOB-UHFFFAOYSA-N 275.352 3.526 30 20 CHED CC(C)C[C@@H](C)n1nccc1N/C(O)=N/C1CCCC1 330881035 NLOGTICSJSZRFA-GFCCVEGCSA-N 278.400 3.759 30 20 CHED CN(Cc1cc(C#N)ccc1F)[C@@H]1CCc2ccccc2C1 512316206 XSCCGVSUZWPGKG-GOSISDBHSA-N 294.373 3.687 30 20 CHED C=CCCC[C@@H](C)NCc1ncc(CSC)s1 339340129 NBNWMNMVKNVCIU-LLVKDONJSA-N 270.467 3.841 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CC(C)(C)c1ccc(C)cc1 97727851 OQBQHRUWKYHDJL-HNNXBMFYSA-N 286.419 3.671 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1O 96930425 JSFSAYMQOWKUOX-ALCCZGGFSA-N 272.300 3.588 30 20 CHED C[C@@H](NCC1(C#N)CC1)C1CCC(C(F)(F)F)CC1 517272735 YJKCRBCFXXTETB-VOMCLLRMSA-N 274.330 3.637 30 20 CHED CCc1ccc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)o1 93902045 QHRILGCEPFYUJK-VQHVLOKHSA-N 286.375 3.769 30 20 CHED Cc1coc(C)c1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 334873490 ZTCKFTXSCCZFDD-MRXNPFEDSA-N 294.354 3.576 30 20 CHED CC(C)(C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 336364662 YMFTWSNLKXHEBL-UHFFFAOYSA-N 294.398 3.610 30 20 CHED CC(C)N(CCCC1(C#N)CCOCC1)C1CCCC1 337163357 WRGWWIAAWRDVCH-UHFFFAOYSA-N 278.440 3.740 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H](Cc2ccccc2)C1 523943737 CQZMRYGWQLAZGW-WBVHZDCISA-N 286.419 3.615 30 20 CHED CCC(CC)(CNc1cc(Cl)ccc1C#N)OC 386210329 XRDSELKDOWTNNV-UHFFFAOYSA-N 266.772 3.829 30 20 CHED Fc1ccc(C#CCN2CC[C@@H]2c2ccccc2)cc1 437566029 DTZYHBFARPSPCE-GOSISDBHSA-N 265.331 3.624 30 20 CHED COc1ccc(CN2CC[C@H]2c2ccccc2)cc1C#N 340193892 BHGQDBWFRIKETD-KRWDZBQOSA-N 278.355 3.514 30 20 CHED COc1cc(C#N)ccc1CN1Cc2ccccc2C[C@H]1C 347240099 RDUNUJOQGOMNTJ-CQSZACIVSA-N 292.382 3.514 30 20 CHED CC(C)(CC(=O)Nc1ccc(C#N)cc1Cl)C1CC1 297552710 ATWUYIFGVXZXAO-UHFFFAOYSA-N 276.767 3.976 30 20 CHED N#Cc1ccc2[nH]c(=NCc3cccc4cc[nH]c34)ccc2c1 527500621 GKVIFKQZQREOHT-UHFFFAOYSA-N 298.349 3.622 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)c1ccc2n[nH]cc2c1 343934549 FXMXJFOMIBSHII-NSHDSACASA-N 262.316 3.608 30 20 CHED C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 248410639 DHSHMVRXKQPQME-FHLIZLRMSA-N 296.414 3.528 30 20 CHED Cc1c(Cl)cnc(N2CCC(F)(F)C[C@@H]2C)c1C#N 528206184 HASKWDBHAXJAFD-QMMMGPOBSA-N 285.725 3.539 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2oc(CC)nc2c1 431326623 DCEUFBITQSYKII-UHFFFAOYSA-N 272.348 3.931 30 20 CHED Cc1ccc(C#N)c(NCC2(Sc3ccccc3)CC2)n1 346851246 ONPWCKQDLQJEDF-UHFFFAOYSA-N 295.411 3.999 30 20 CHED Cc1cc(Br)cc2c1N(CCCC#N)CCC2 346016635 OQQWZGVHPOYJOH-UHFFFAOYSA-N 293.208 3.814 30 20 CHED C=CCCN(C)C(=O)CSCc1cccc(Cl)c1 342011850 BUTPTXUSDZQJOT-UHFFFAOYSA-N 283.824 3.608 30 20 CHED C=CC[C@@H](C)NC(=O)c1[nH]c2ccccc2c1Cl 342361566 RQRWCQQRALHEGG-SECBINFHSA-N 262.740 3.516 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)NC[C@H](C)CCC#N 602564374 FGMIVQCBBBXWRY-RHSMWYFYSA-N 276.399 3.922 30 20 CHED C[C@@H](CNc1ncc(C#N)cc1Cl)c1ccc(F)cc1 524166424 FYMSURZBWYQFKK-JTQLQIEISA-N 289.741 3.961 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1(C#N)CCC1 609853436 ROSHOUUUOKAKRE-UHFFFAOYSA-N 284.403 3.636 30 20 CHED CCC(CC)CN[C@@H]1CCCc2cc(C#N)ccc21 341696775 FKLXGFFXTOUSAJ-QGZVFWFLSA-N 256.393 3.961 30 20 CHED C=CCN(C)C(=O)c1ccc(C(C)C)c(Cl)c1 342451546 VCJFFAGJSDAZRL-UHFFFAOYSA-N 251.757 3.721 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1cncc(F)c1 255887837 KLYJOJJLFOMYME-FPLPWBNLSA-N 271.291 3.516 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 522632838 VAFFUOJURFUIRR-GJZGRUSLSA-N 274.408 3.970 30 20 CHED CCN(CCC#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 343873710 NQEFBTXXGMSAKI-KBPBESRZSA-N 264.413 3.601 30 20 CHED Cc1ccc(-c2ccc([C@@H]3NC(=O)C3(C)C)cc2)cc1C#N 600795550 ZAYPKHOWESIYPP-KRWDZBQOSA-N 290.366 3.731 30 20 CHED C=CCOCCCN1CCC[C@@H](c2nc(C)c(C)s2)C1 347963493 CSTRHVVQFBCJON-OAHLLOKOSA-N 294.464 3.532 30 20 CHED N#CC1CCC(CNCc2cc3c(F)cccc3[nH]2)CC1 441357381 NJTLEWQJHKVEEZ-UHFFFAOYSA-N 285.366 3.727 30 20 CHED CC#CCNC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 443608944 KUGIQDAUSWEHBH-UHFFFAOYSA-N 299.374 3.561 30 20 CHED C=CCC1(C(=O)Nc2cc(OC)cc(OC)c2)CCCC1 449061498 VSWRVOVEDYSAJS-UHFFFAOYSA-N 289.375 3.779 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1 255509307 WVPQANKOGUHXKK-VURMDHGXSA-N 287.746 3.778 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(-c2cc(C#N)cs2)n1 356570760 BYFSTKBIHIBSBS-KOLCDFICSA-N 273.361 3.963 30 20 CHED CN(C(=O)CCc1cccc(Cl)c1)c1ccccc1C#N 533113954 TVJVNDQHBFOVRF-UHFFFAOYSA-N 298.773 3.807 30 20 CHED CC(C)C1(CN[C@H]2CCc3ccc(C#N)cc32)CC1 353249101 CLINMDXLSCYRLL-INIZCTEOSA-N 254.377 3.571 30 20 CHED C=CCN(CCC#N)C(=O)c1cc2c(s1)CCCCC2 359371910 FONLJUNPMDIQEY-UHFFFAOYSA-N 288.416 3.559 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1nccc2sccc12)OCC 359428376 QVCOKHQELJRXRT-GFCCVEGCSA-N 290.388 3.606 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)C1CCCCC1 446191621 JEBCXPMPCKACRL-OLZOCXBDSA-N 252.402 3.561 30 20 CHED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)NC[C@@H](C)C#N 603163779 GPHNCHSGANXVNK-QMMMGPOBSA-N 299.296 3.603 30 20 CHED C=CCC[C@@H](NCCCN(C)C(C)C)c1ccco1 353448682 OEKFOKPQHNSYPB-OAHLLOKOSA-N 264.413 3.607 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H](c1ccccc1)C(C)C 448688815 CWVZQUTVKIMZEC-OAHLLOKOSA-N 259.393 3.755 30 20 CHED CC1(C)CN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1C1CC1 359290070 MLCSVVDMSXGOAX-SJLPKXTDSA-N 296.414 3.721 30 20 CHED CC1(C#N)CCC(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1 449100470 RCDKGAQZCQKMSR-VIMCOHPGSA-N 272.436 3.873 30 20 CHED Cc1cc2cc(CN(CC#N)C3CC3)oc2cc1C 352736374 LVOCNCHPNDCNAV-UHFFFAOYSA-N 254.333 3.538 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn(CC(C)C)c1C1CC1 353409420 VLEKEIYEUSUILU-LBPRGKRZSA-N 290.411 3.503 30 20 CHED CCC[C@@]1(C(F)(F)F)CCCN1Cc1ccc(C#N)o1 539860200 ZFGCCTPUCUKZQE-ZDUSSCGKSA-N 286.297 3.848 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CC2CCCCCC2)C1 535321182 KJKPGSMOXUPCKS-RHSMWYFYSA-N 276.424 3.936 30 20 CHED COc1ccc(C2(CN[C@@H]3CCC[C@H](C#N)C3)CCC2)cc1 446749501 ARGNPJHTMSASHD-DOTOQJQBSA-N 298.430 3.789 30 20 CHED CCC(CC)[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1ccccc1 443589564 GRUOGQYTVNZTAC-QGZVFWFLSA-N 295.386 3.794 30 20 CHED COc1cc(CN[C@@H]2C[C@H]2C2CCCCC2)ccc1C#N 440822603 PPZGGSLXLCGXTO-DLBZAZTESA-N 284.403 3.625 30 20 CHED N#Cc1cc(C(=O)NCCCc2ccccc2)ccc1Cl 538267530 NWSMSKAVWYWRIN-UHFFFAOYSA-N 298.773 3.574 30 20 CHED C[C@@H](NCc1cccc(F)c1F)c1cccc(C#N)c1 610344631 BJHFBXLRSGTJKY-LLVKDONJSA-N 272.298 3.687 30 20 CHED C=CCN(C(=O)c1ccc(C(F)(F)F)c(OC)c1)C1CC1 613238666 BMOZQLFTEPGTLP-UHFFFAOYSA-N 299.292 3.505 30 20 CHED CC(C)(C#N)CCSc1nnc(-c2ccccc2F)o1 610285559 CUEWIUHGZYLMEL-UHFFFAOYSA-N 291.351 3.908 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H]1[C@@H](C)CCC)OCC 535941243 APJJFVUVYRXRCM-XHSDSOJGSA-N 281.440 3.785 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc2c1CCCC2)OCC 535911605 OIMFYHCFKRYKGR-QGZVFWFLSA-N 287.403 3.875 30 20 CHED CC(C)(C#N)CC(=O)NCCc1ccc(Cl)cc1Cl 618623179 FKCGZLMDKQEISM-UHFFFAOYSA-N 299.201 3.592 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccoc2C(C)C)C1 617780633 XVHSAAPEEWGSAW-ZDUSSCGKSA-N 261.365 3.831 30 20 CHED N#C[C@]1(F)CCN(Cc2ccc(-c3cccs3)cc2)C1 618308066 JNPSXQAIQLRPSO-MRXNPFEDSA-N 286.375 3.853 30 20 CHED C#CCN(CC)C(=O)Nc1cc(C(F)F)ccc1Cl 269155182 RUCNGENHVVNAMZ-UHFFFAOYSA-N 286.709 3.765 30 20 CHED C=CCCc1noc(-c2ccc(Cl)cc2OCC)n1 453229575 HDUUNVXIMAIUBJ-UHFFFAOYSA-N 278.739 3.907 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1ccc(CC#N)cc1 459658776 PZOQRTCXKSYOSZ-HNNXBMFYSA-N 294.398 3.921 30 20 CHED CCCc1cc(C(=O)N(CCC#N)C(C)(C)CC)ccn1 362170154 DGTFRULWHKSFLG-UHFFFAOYSA-N 287.407 3.579 30 20 CHED N#CCC[C@@H](NCc1ccncc1Cl)c1ccccc1 611406997 RCZQPKDSLADAFY-MRXNPFEDSA-N 285.778 3.870 30 20 CHED C=CCC1(C(=O)NCc2cc(C)ccn2)CCCCC1 452157237 ZMQQTVCYOOUJTB-UHFFFAOYSA-N 272.392 3.533 30 20 CHED C=CC(C)(C)c1nc(C(C)(C)c2ccccc2OC)no1 453178070 SVYXOHALWJSOJB-UHFFFAOYSA-N 286.375 3.868 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(CSCC)c1 362678696 FJHXUPXEIOASCD-NSHDSACASA-N 264.394 3.636 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@H]1c1ccsc1)OCC 270070988 XPBQBYKKFKVFCJ-LSDHHAIUSA-N 293.432 3.783 30 20 CHED C=C(C)CCNC(=O)C[C@H](CC)c1ccc(C)cc1 452716373 HGEWXEDVUPQDHN-HNNXBMFYSA-N 259.393 3.961 30 20 CHED C=CCOCCCc1nc(-c2ccc(Cl)s2)no1 277914108 MOUVJXVXYYQMBF-UHFFFAOYSA-N 284.768 3.587 30 20 CHED CC(C)(C#N)CCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 272064666 APOXYKUCWQGLDV-UHFFFAOYSA-N 298.346 3.788 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(C#N)c1 540895297 UWZFRAUBQLITLE-FZKQIMNGSA-N 290.366 3.612 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2sccc2C#N)CC[C@H]1C 459867242 YQPCIXOLGJKUPM-OUAUKWLOSA-N 262.378 3.631 30 20 CHED C[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 279765171 ZKKXMTIKYAKQBN-ZDUSSCGKSA-N 270.376 3.502 30 20 CHED C=CCCCCNC(=O)Nc1ccc(NC(=O)CC)cc1 274575215 IGGUAKGRTIXLIK-UHFFFAOYSA-N 289.379 3.513 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)CC1(C#N)CCC1 451035896 GNUXHJLBNIRNES-MRXNPFEDSA-N 272.392 3.772 30 20 CHED Cc1ccc([C@@H](C)N(C)Cc2cc(C#N)n(C)c2)c(C)c1 361508690 ONKBXCAOXHOCMK-OAHLLOKOSA-N 281.403 3.707 30 20 CHED N#Cc1ccc(CNc2ccccc2N2CCCC2)c(F)c1 270649240 QBBSYRYKGFJXGD-UHFFFAOYSA-N 295.361 3.910 30 20 CHED N#CCCCCN1CCC(Cc2cccc(F)c2F)CC1 451961447 SJRANWJWWXJFDU-UHFFFAOYSA-N 292.373 3.913 30 20 CHED N#CCCCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 272833729 LPPLMNVDCPIMCW-QGZVFWFLSA-N 299.805 3.912 30 20 CHED C[C@H](NC(=O)c1ccc(CC#N)cc1)[C@@H]1CCC[C@@H](C)C1 456996021 HTUUVXFUBGKMNI-JKIFEVAISA-N 284.403 3.697 30 20 CHED N#Cc1ccc(NCCC[C@H]2CCOC2)c(C(F)(F)F)c1 450890413 VKQWPHFUJYNRMO-NSHDSACASA-N 298.308 3.806 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1SC)OCC 270012833 GBIDHLOHPBHFBM-CYBMUJFWSA-N 279.405 3.718 30 20 CHED O=[N+]([O-])c1ccc(/C=N/O[C@H]2CCCc3ccccc32)o1 271763649 ZQBQNLVPNANTBW-KNGSKEOJSA-N 286.287 3.616 30 20 CHED Cc1ccc(CCC(=O)Nc2ccccc2CC#N)c(C)c1 549691617 BSRVSOUEJMSLNW-UHFFFAOYSA-N 292.382 3.941 30 20 CHED CSc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 278797442 QWQFXFYTNQQEQJ-ZFWWWQNUSA-N 274.433 3.889 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 542707031 RRFGABLZFWFQSZ-CORIIIEPSA-N 285.391 3.813 30 20 CHED CC(C)(C#N)c1nc(-c2ccc(C(F)(F)F)cc2)no1 273780325 VMZUJVREWUPDBN-UHFFFAOYSA-N 281.237 3.557 30 20 CHED C#CCCCSc1nnc(-c2cc(C)cc(C)c2)o1 270803015 AWNNIDQJEAZERF-UHFFFAOYSA-N 272.373 3.859 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@H](OC)c1ccc(OC)cc1 542705944 LUBTXOWYAFEYOG-ZQIUZPCESA-N 277.408 3.716 30 20 CHED Cc1cc(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)[nH]n1 276054456 PGIPVBPLULISFG-AWEZNQCLSA-N 294.402 3.530 30 20 CHED CO[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 371725807 FIFKJBMUZVCDRC-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2CCCC(C)(C)C#N)C1 374074978 OWOGPKJDRDLHGO-VQHPVUNQSA-N 292.467 3.578 30 20 CHED C[C@@H](C#N)NC(=O)C1(C2CCCCC2)CCCCC1 378316755 QYAMLBZWZZFZRD-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED CC#CCCCC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 466439610 ZLKWIWCKSPIQBM-STQMWFEESA-N 289.341 3.665 30 20 CHED C=C(C)CCN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 379657603 TZZRMCMIMCANCQ-AEFFLSMTSA-N 272.436 3.595 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CCC[C@H]1c1ccccc1 280670783 PTPNQXJSYOUJCZ-RDJZCZTQSA-N 294.354 3.526 30 20 CHED C=CCCN(C)C(=O)NC[C@@H](c1ccccc1)C(C)C 466984936 RGRNVNJWSGRBOH-MRXNPFEDSA-N 274.408 3.644 30 20 CHED C=CCN(C(=O)C1(Cc2ccc(F)cc2)CC1)C(C)(C)C 622945233 XYZMSEKRJQHOOF-UHFFFAOYSA-N 289.394 3.962 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cc(C)c(C)o2)CC1 282229709 PHRBSHNICYPIHE-AWEZNQCLSA-N 276.424 3.588 30 20 CHED CC1CCC(CC(=O)N[C@](C)(C#N)C(C)(C)C)CC1 464154645 VYCXOLAQKZYZPE-SEEARECTSA-N 264.413 3.647 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC)c(OCCC)c1 466384195 RFBRZDWXSQGZPY-HNNXBMFYSA-N 277.408 3.928 30 20 CHED CCC(CC)CC(=O)N(CCC#N)CC(CC)CC 469279776 WVLXDVNGQROOHC-UHFFFAOYSA-N 266.429 3.991 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](CC)c1ccc(OC)cc1 466525595 BNCIRCOQCHMMKR-GDBMZVCRSA-N 275.392 3.660 30 20 CHED CC#CCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 462313658 IQWQDHFJFQRMRU-CJNGLKHVSA-N 257.377 3.781 30 20 CHED C=C[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 289680154 HQOAGRVWECXRTE-RHSMWYFYSA-N 297.398 3.560 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C1CC1)C1CC1 637222796 DPJNGZPEJSNJSP-OAHLLOKOSA-N 284.403 3.510 30 20 CHED Cc1cc([C@@H](C)NCc2cccc(C#N)c2)oc1C 282089294 IBOLBUYNPIVQOP-GFCCVEGCSA-N 254.333 3.619 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2cccc(Cl)c2n1C 467923712 ZPZHEALOOIWZBZ-HNNXBMFYSA-N 291.782 3.768 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccc2nc(O)oc2c1 631737319 LVKMYTPQTXQRTL-SDDRHHMPSA-N 274.364 3.785 30 20 CHED CCCCOc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c(C)c1 460033811 PBVRLDMEBJWOSN-SUMWQHHRSA-N 286.375 3.662 30 20 CHED CC1(C#N)CN(C(=O)Nc2cccc(-c3cccs3)c2)C1 281050282 WWECVPSGIKPVKY-UHFFFAOYSA-N 297.383 3.792 30 20 CHED C#CCCCCNC(=O)N1CC(C)(C)[C@@H]1c1cccs1 287815395 AQSFJIKSMREXMX-AWEZNQCLSA-N 290.432 3.644 30 20 CHED C=CC1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 469273632 XMAKLHNNSWRELB-UHFFFAOYSA-N 298.213 3.961 30 20 CHED C=C[C@@H](Cc1nc(-c2ccco2)no1)c1ccccc1 556313890 FHPIWRCJHSVAPL-LBPRGKRZSA-N 266.300 3.842 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3cc(C#N)ccn3)C2)cc1 557675543 PLILOYDUYCUBAU-WMLDXEAASA-N 277.371 3.644 30 20 CHED C=CCCCCNC(=O)c1sc(C)cc1OC(F)F 471703642 XUTXTLZITYTSGJ-UHFFFAOYSA-N 289.347 3.744 30 20 CHED C=CCOCCCN1CC[C@@H](C)Sc2ccccc21 470765068 JPRRKCJVMFHHGH-CQSZACIVSA-N 277.433 3.970 30 20 CHED C=CC[C@H](C(=O)OCCC1(OC)CCC1)c1ccccc1 809048465 PTLIYGAPFYJYIK-INIZCTEOSA-N 288.387 3.849 30 20 CHED Cc1nc(N2CCC[C@H]2c2ccccc2)ccc1C#N 291704535 UTMXEXFGMPMKCP-INIZCTEOSA-N 263.344 3.603 30 20 CHED C#C[C@@H](NC/C=C/c1ccc(F)c(F)c1)C(C)(C)C 809782717 FKNDJVORYHUQPM-LQYUOIDQSA-N 263.331 3.616 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cc(F)ncc1F 806568511 YIUXOENYZJKKTB-SNAWJCMRSA-N 289.281 3.573 30 20 CHED Cc1ccc(CSCCO[C@H](C)C#N)c(Cl)c1 802751663 KQDDGMHXNXQMIA-LLVKDONJSA-N 269.797 3.810 30 20 CHED CC[C@H]1CCC1=NNc1ccc(C(F)(F)F)cn1 807945942 JHBSVFIZRTYBOO-QMMMGPOBSA-N 257.259 3.688 30 20 CHED C=CC[C@@H](C)NC(=O)N(CC(=C)C)Cc1ccccc1 474569454 AZHDTBZYILGJQK-OAHLLOKOSA-N 272.392 3.739 30 20 CHED CC(C)Sc1ccc(CN2CC(C)(C#N)C2)cc1 568167199 BYMQIIQASBPQNO-UHFFFAOYSA-N 260.406 3.533 30 20 CHED C=CCOCc1nc([C@@H](c2ccccc2C)C(C)C)no1 565720452 FWZQPYPXJAYGPJ-MRXNPFEDSA-N 286.375 3.869 30 20 CHED FC(F)c1ccc(C=NNCC2CCCC2)cc1 808007118 QINHPOONDIJGHO-UHFFFAOYSA-N 252.308 3.738 30 20 CHED C=CC(C)(C)C(=O)N(CCC)CCc1cccs1 295360436 OLSFTUCUTIPFSD-UHFFFAOYSA-N 265.422 3.741 30 20 CHED C=CC[C@@H](CC)NCc1cc2cc(Cl)cnc2o1 648566507 PEWHRWOVYJIGEC-GFCCVEGCSA-N 264.756 3.926 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 295392542 GEKWEUMJPYRPGK-TZMCWYRMSA-N 273.376 3.617 30 20 CHED C=CCCCCCN1CCC[C@H]1[C@@H]1CCCOC1 645949186 QLQFXXVYMRHKEQ-CVEARBPZSA-N 251.414 3.624 30 20 CHED CCn1nc(CN2CCC(CCC#N)CC2)c2ccccc21 399374251 WNSVSTJKURHSGN-UHFFFAOYSA-N 296.418 3.572 30 20 CHED COc1ccccc1-c1ccc(CNCC2(C#N)CC2)cc1 562391830 VCKWHNKAIIXKDL-UHFFFAOYSA-N 292.382 3.756 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]1C 483674629 YBJWMUAJZDCODO-GOEBONIOSA-N 278.440 3.953 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C=C1CCCCC1 819737385 WWCXAAPPJMLURL-AWEZNQCLSA-N 282.387 3.968 30 20 CHED Cc1cc(C)c2cc(CN(C[C@@H](C)C#N)C3CC3)[nH]c2c1 481989544 IYLMDIDSPKCKBM-ZDUSSCGKSA-N 281.403 3.909 30 20 CHED C=CCCCCCCCNC(=O)C1CCN(C2CC2)CC1 811590068 OAXYOIRXFALVQR-UHFFFAOYSA-N 292.467 3.504 30 20 CHED CCc1nc(C)c(C(C)=NOC/C=C\Cl)s1 811668122 BLJYFNVGNJPUMX-OEDRUEIKSA-N 258.774 3.507 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 816704051 DVLOTTDOEKUCKV-NWDGAFQWSA-N 273.367 3.871 30 20 CHED C=CCC(C)(C)CNC(=O)CCC(=O)c1ccc(C)cc1 489990962 SOSCEMZSUXJWBU-UHFFFAOYSA-N 287.403 3.676 30 20 CHED CCCC(=NN[C@@H](C)COc1ccccc1)c1cccnc1 814934711 YKJWXXGZXOPDAU-HNNXBMFYSA-N 297.402 3.643 30 20 CHED CSCc1cnc(C=NNc2cccc(C)c2)s1 814687539 KMFHYNVTFCJNOG-UHFFFAOYSA-N 277.418 3.761 30 20 CHED C=CCOCCN1CCc2cc(-c3ccccc3)oc2C1 815072030 CHSGGINZQCQIJJ-UHFFFAOYSA-N 283.371 3.507 30 20 CHED COc1ccc(NN=C2CCCCc3ccc(N)cc32)cc1 817325338 AFEMCYXWOSDWHT-UHFFFAOYSA-N 295.386 3.820 30 20 CHED C#CCC1(C(=O)OCC(=O)C(C)(C)CC)CCCCC1 811191968 NGBWJBJQMVPYNW-UHFFFAOYSA-N 278.392 3.509 30 20 CHED C=C(C)COCCNC(=O)c1cc2cc(C)ccc2s1 576628833 INXVFJPPUMBPSF-UHFFFAOYSA-N 289.400 3.532 30 20 CHED C=CCC(C)(C)CNC(=O)NC1CCC(OC(C)C)CC1 655726473 IEUFUFMQOZGGII-UHFFFAOYSA-N 296.455 3.624 30 20 CHED Cc1cc(CN2CC[C@@H](Nc3ccccc3)C2)ccc1C#N 488177652 FZTQSMFROGEUBO-LJQANCHMSA-N 291.398 3.553 30 20 CHED CCCCCC[C@H](CC)C(=O)N[C@](C)(C#N)CSC 813248647 WQXSTFIICOCYKD-DZGCQCFKSA-N 284.469 3.744 30 20 CHED C=CCCCCN1Cc2ccccc2C[C@@H]1c1nnc(C)o1 573196217 HYEXSYSGWXEKNM-QGZVFWFLSA-N 297.402 3.834 30 20 CHED CCC(=NNc1cccnn1)C12CC3CC(CC(C3)C1)C2 811643453 FHCGYKZXHLDZHQ-UHFFFAOYSA-N 284.407 3.871 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCC[C@@H]1CC 489825750 OAGUWFFYFVCQDG-KBPBESRZSA-N 251.414 3.921 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnccc1C(F)(F)F 653735275 USLFCWCYXSVDNZ-JTQLQIEISA-N 286.297 3.575 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C 815729497 WXQMMDHEZUHLKG-AWEZNQCLSA-N 299.336 3.720 30 20 CHED CCOc1ccc(NN=C(C)c2ncccc2CC)cc1 814984532 AZXYBVWRZYTANR-UHFFFAOYSA-N 283.375 3.879 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C)ccc1F 727091639 NVVOHCADSDBPQU-UHFFFAOYSA-N 299.320 3.549 30 20 CHED COc1cccc([C@@H](C)NCc2ccc(C#N)c(C)c2)c1 488147679 JVKQWTABRFRYLS-CQSZACIVSA-N 280.371 3.726 30 20 CHED Cc1cccc2c1C/C(=C\c1ccccc1F)C2=O 729151319 RBURETGHMYXLKR-UKTHLTGXSA-N 252.288 3.957 30 20 CHED CC[C@H](NC1C[C@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 572946168 LNVBHAGURNMKPL-DCGLDWPTSA-N 272.392 3.555 30 20 CHED CCCCCC(C)=Nn1c(S)nnc1C(C)(C)C 818225582 GQNLGZJGGQNUHW-UHFFFAOYSA-N 268.430 3.669 30 20 CHED Cc1cc(COC(=O)CC(C)(C)C2CC2)ccc1C#N 815469565 OVFRUOGPBHUDQX-UHFFFAOYSA-N 271.360 3.736 30 20 CHED CCCC1CCC(NC(=O)c2ccc(C#N)s2)CC1 486661888 GGCFVXPHQUCBBK-UHFFFAOYSA-N 276.405 3.708 30 20 CHED C(=NNc1cccc2cnccc12)c1cnc2ccccc2n1 728431906 HLZWUZDWRQYLGD-UHFFFAOYSA-N 299.337 3.624 30 20 CHED C[C@H]1CCCC(=NNc2nc(-c3ccccc3)no2)C1 726739695 RZCSMFFUPAKNJN-NSHDSACASA-N 270.336 3.715 30 20 CHED C=C(C)CCNc1nc2ccc([N+](=O)[O-])cc2s1 828778911 HQFHRQOIHLMTIZ-UHFFFAOYSA-N 263.322 3.583 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)cc1C 728230203 BJIDCCASKPHGDO-QPJJXVBHSA-N 282.339 3.914 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cnc3c(c2)CCCC3)C1 666634260 IZCLVEUUGUDOIW-AWEZNQCLSA-N 299.418 3.780 30 20 CHED CC(C)CCN(CCC#N)Cn1cc(-c2ccccc2)cn1 728901585 NKGAIIBYUUPSJB-UHFFFAOYSA-N 296.418 3.769 30 20 CHED CC(C)CN(Cc1cccc(C#N)c1)Cc1ccccn1 729542874 YXDIRPAXPSIERF-UHFFFAOYSA-N 279.387 3.611 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(CC(C)C)cc1 725927886 XWHQSGGXQNEZGI-OAHLLOKOSA-N 290.403 3.910 30 20 CHED C=CCOc1cccc(CN2CC[C@@H](c3cccnc3)C2)c1 581727176 MEFXBVKCBORVIN-GOSISDBHSA-N 294.398 3.636 30 20 CHED C[C@H](OC(=O)c1ccc2cc[nH]c2c1)c1cccc(C#N)c1 727635929 CXVZNSMARGPAJM-LBPRGKRZSA-N 290.322 3.958 30 20 CHED C=CCCNC(=O)Nc1cccc(OCCCC)c1 665832548 ANXYHLNHZAMWKE-UHFFFAOYSA-N 262.353 3.563 30 20 CHED Cc1ccccc1C(=NNc1ccccn1)C1CC1 731924204 AFFURLYSQMJHRY-UHFFFAOYSA-N 251.333 3.616 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(O)c(C)c2)c1 499895849 RUNHQPVLKXAZTC-UHFFFAOYSA-N 283.327 3.518 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(Cl)nc(Cl)c2)C1 839444910 KXKPVHBGFOTNRC-WPRPVWTQSA-N 299.157 3.628 30 20 CHED C=C[C@H](CC)Cc1nc(CCCCSC)no1 904160037 CEBMXCQKILQMDK-LLVKDONJSA-N 254.399 3.510 30 20 CHED C[C@@H](S[C@@H](C#N)c1ccccc1)C(=O)OC(C)(C)C 581677937 UERVPSKFYGRWJM-YPMHNXCESA-N 277.389 3.715 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CCc2ccc(C)cc21 730147213 NFLRLNJNIBZRIY-VXIUPONVSA-N 281.355 3.816 30 20 CHED Cc1cc(NN=C(c2ccccc2C)C2CC2)nc(C)n1 731925540 IZVOQDMRHLPGDD-UHFFFAOYSA-N 280.375 3.628 30 20 CHED CC(C)(C(=O)OCc1cc(C#N)ccc1F)C1CCC1 835203790 PXXDJSYIHOEIAF-UHFFFAOYSA-N 275.323 3.567 30 20 CHED Cc1ccc(OC(F)F)c([C@@H](C)NCC2(C#N)CC2)c1 903102108 SIVXZISOSPCUBO-LLVKDONJSA-N 280.318 3.551 30 20 CHED N#Cc1ncccc1SCc1ccc2c(c1)CCC2 583641284 KWDMGZFAVKIPHZ-UHFFFAOYSA-N 266.369 3.734 30 20 CHED COc1csc(C(=O)OCCCCC2(C#N)CCC2)c1 909043500 ISTWVPBCSVUWET-UHFFFAOYSA-N 293.388 3.778 30 20 CHED C=CCCC[C@@H](NCc1c(C)cc(Cl)cc1C)C(=O)O 900068709 NBBAFEKEIHXYNK-OAHLLOKOSA-N 295.810 3.856 30 20 CHED CC(C)(C)CC(=NNc1ncccn1)c1ccc(F)cc1 734299082 QOUQZRYVMPKDLQ-UHFFFAOYSA-N 286.354 3.868 30 20 CHED O=C(C#CC1CC1)Nc1cccc(COC2CCCCC2)c1 837368345 GLBBESIOZKCXHD-UHFFFAOYSA-N 297.398 3.888 30 20 CHED CC[C@H](C)CC=NNc1nc(C(F)(F)F)cs1 834964158 IUNNXSRIQWCEKC-ZETCQYMHSA-N 265.304 3.996 30 20 CHED COc1ccc(N(CCC(C)(C)C#N)CC2CC2)cc1 831587972 PIDQDIYJMKFRDZ-UHFFFAOYSA-N 272.392 3.851 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCC1CC1 589706839 IBFCEBNXOSLOFO-MSOLQXFVSA-N 296.414 3.865 30 20 CHED CCc1oc(C(=O)O)cc1CSc1ccccc1C#N 830394554 GOPBWDROSKONLQ-UHFFFAOYSA-N 287.340 3.704 30 20 CHED CCC#C[C@H](C)N1CCO[C@@H](c2ccccc2Cl)C1 677048171 OJJMJNAOJKHZOB-XJKSGUPXSA-N 277.795 3.515 30 20 CHED CCN(CC[C@H]1CCc2ccccc21)C[C@H](C)C#N 595305819 RKCKCEUIXIERDI-GDBMZVCRSA-N 256.393 3.588 30 20 CHED Oc1ccc([C@@H]2CCCN2CC#Cc2ccc(F)cc2)cc1 676633130 XCXYZMBCWORLGL-IBGZPJMESA-N 295.357 3.720 30 20 CHED Cc1ccc(C)c(OCCCN2CCC[C@@H](CC#N)C2)c1 595611094 GUUSTSTWTFCMOK-KRWDZBQOSA-N 286.419 3.698 30 20 CHED CC1=C(C(=O)N(CC#N)c2ccc(Cl)cc2)CCC1 592652919 QGCNHQBDGVATQQ-UHFFFAOYSA-N 274.751 3.697 30 20 CHED CC(=NNc1nc(C)cc(C)n1)[C@@H](C)c1ccccc1 746368707 YOSCDNLCHGMEFF-CYBMUJFWSA-N 268.364 3.685 30 20 CHED CCn1cc(C(=O)OCCCCC#N)c2ccccc21 912958888 MPWDSYPQKWIGTD-UHFFFAOYSA-N 270.332 3.512 30 20 CHED C#CCN(CC)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 919876201 XICQMVUNHFKOKY-UHFFFAOYSA-N 297.398 3.889 30 20 CHED O=C(C#Cc1ccccc1)N1CCC2(CCCCC2)CC1 747218654 ZRKZTAUSNQVQNZ-UHFFFAOYSA-N 281.399 3.611 30 20 CHED CC[C@@H](C#N)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 593444808 BFVHFVWAPVJDQZ-LBPRGKRZSA-N 290.794 3.775 30 20 CHED CCOc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)nc1 591839149 ZMVVQODVZODZOF-AWEZNQCLSA-N 295.386 3.545 30 20 CHED COc1ccc([C@@H](C)/N=C\c2cc(OC)ccc2O)cc1 745624367 JYTWDQQARMWCFF-OTWJJXBCSA-N 285.343 3.590 30 20 CHED CCCC[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C(C)C 598824893 QXRXYWGWTIYLPJ-XJKSGUPXSA-N 266.429 3.893 30 20 CHED N#CCC1(CSCc2ccc([N+](=O)[O-])cc2)CC1 594893069 OBBSKZLACWWLRJ-UHFFFAOYSA-N 262.334 3.522 30 20 CHED C=CCC1(NC(=O)C2SCCCS2)CCCCC1 841249519 CLHJNCSXLVWRLJ-UHFFFAOYSA-N 285.478 3.578 30 20 CHED C=CCCSCCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 596413688 RMWOSBZSTNKSPG-UHFFFAOYSA-N 294.376 3.519 30 20 CHED C=CCN(C(=S)Nc1cc(C)cc(C)c1)[C@@H](C)COC 849277507 ZUVUWPLBUXUBPJ-AWEZNQCLSA-N 292.448 3.523 30 20 CHED C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@H]2CCCC[C@H]12 597491651 HQEAANCYQNVRBT-OAGGEKHMSA-N 288.435 3.888 30 20 CHED CCCCCCCCCC(=O)N(C)c1nccc(OC)n1 846921357 RONOYUDEMYRJBB-UHFFFAOYSA-N 293.411 3.589 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc(Cl)n1 743842857 NFPGEEOVTMRHDT-UHFFFAOYSA-N 286.806 3.966 30 20 CHED C[C@]1(C=NNc2ncncc2Cl)C[C@@H]1c1ccccc1 841636475 BSAALXNPHVLYBX-IUODEOHRSA-N 286.766 3.722 30 20 CHED CCCCCCCCCCn1nc(C)c(C)c(C#N)c1=O 915793492 RRRBGPXJZOZJPB-UHFFFAOYSA-N 289.423 3.873 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc(C2CCCC2)cc1 594090329 CKDDWFOYVLNEIK-INIZCTEOSA-N 270.376 3.718 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccccc1OC(F)(F)F 675933418 DNRWFCBQFOEVLE-VHSXEESVSA-N 259.271 3.810 30 20 CHED C#CC1CCN(C(=O)c2ccc(OC(CC)CC)cc2)CC1 843698536 CDAFGWKRXWOEDW-UHFFFAOYSA-N 299.414 3.739 30 20 CHED Cc1cc(COC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cs1 847044725 QFBAUBGLWDHQRU-LBPRGKRZSA-N 299.395 3.850 30 20 CHED CC(C)N(C(=O)c1cccc(C#N)n1)[C@@H](C)c1ccccc1 590994269 DAGGFAWHVVQQSX-AWEZNQCLSA-N 293.370 3.565 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C2CCC2)C2CC2)c1 840838366 NWQFDYDSBVVCNM-MRXNPFEDSA-N 284.428 3.533 30 20 CHED Cc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)cn1 844233200 JMGVIDBFBVOEQA-UHFFFAOYSA-N 278.355 3.629 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCN(C(C)(C)C)C1=O 842882206 PJQGFETVQWVIHF-GJZGRUSLSA-N 280.456 3.500 30 20 CHED C#CCCNc1cc(NC(=O)CCC)ccc1Cl 920416180 TZHBFHATDBERRD-UHFFFAOYSA-N 264.756 3.514 30 20 CHED C=CCCSCCNC(=O)c1c(C)[nH]c2ccccc12 597970648 KUQJYAITVDINSH-UHFFFAOYSA-N 288.416 3.515 30 20 CHED COc1ccc(/C=C2\CCc3cc(C#N)ccc3C2=O)cc1 742437692 PGNUHXLESIKTKJ-MHWRWJLKSA-N 289.334 3.779 30 20 CHED C=C(C)CNc1ccc(C(=O)NCc2ccccc2F)cc1 917823859 QRGBOUJYFNAKEZ-UHFFFAOYSA-N 298.361 3.744 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2cc(F)ccc2[C@@H]1C 684928878 DJJNNUFRGOQZDV-SWLSCSKDSA-N 290.382 3.809 30 20 CHED N#Cc1ccc(/C=C2\CCc3sccc3C2=O)s1 748997909 LHPANNYPSXXETN-VQHVLOKHSA-N 271.366 3.894 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N2CCC[C@@H](CC#N)C2)cc1 597910062 VAWCXLNDPBVBHN-RDJZCZTQSA-N 298.430 3.895 30 20 CHED COc1cc(C#N)ccc1OCCSCC1CC=CC1 596413861 WZAWRHMYXKQQPU-UHFFFAOYSA-N 289.400 3.645 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)Cc2ccccc2F)c1 920173565 TYTJNCSKMSCDIA-ZGXHQARYSA-N 287.334 3.590 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC)cc1F)C(C)C 841785958 LWUCCFKJBWTTAB-UHFFFAOYSA-N 280.343 3.653 30 20 CHED CO[C@H](CN[C@H](C)CC(C)(C)C#N)c1cccc(Cl)c1 925478500 NHQMFARSVOLRLD-IUODEOHRSA-N 294.826 3.945 30 20 CHED C#CC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 925636882 FYAIQCCYZPIDIV-GOEBONIOSA-N 254.377 3.669 30 20 CHED Cc1ccc(NN=Cc2cn3cc(Cl)ccc3n2)cc1 920356425 LMUOYGMWMXTCEW-UHFFFAOYSA-N 284.750 3.742 30 20 CHED C=CCCC(CC)=NNc1nnc(-c2ccccc2)n1C 750934278 JKKBDQUHOKFVHW-UHFFFAOYSA-N 283.379 3.626 30 20 CHED CCc1nc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)cs1 925031644 BOFGXYAPZIUQBP-WDEREUQCSA-N 265.426 3.684 30 20 CHED COc1ccc(C=NN2CCCC[C@H]2C)c(OC(F)F)c1 853379051 CLOKLWOPSJBMJE-LLVKDONJSA-N 298.333 3.505 30 20 CHED CCCCCCCCNC(=O)N1CCC(CCOC)CC1 858320703 ZXTAOPYNNHHICD-UHFFFAOYSA-N 298.471 3.805 30 20 CHED O=C(/C=C/c1cccc(Cl)c1F)c1cc(O)ccc1O 759652772 LLUMLZASPYGHBJ-GQCTYLIASA-N 292.693 3.786 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](C)C1CC1 684257235 AZQBJJWZBYKPAI-HNNXBMFYSA-N 286.419 3.820 30 20 CHED CC(=NN=Cc1c(C)cc(Cl)cc1C)c1cnccn1 756895281 KOVCPCOUUKJNIW-UHFFFAOYSA-N 286.766 3.590 30 20 CHED C#CCCCCCc1nc(-c2ccc(OC)cc2C)no1 858838044 YAQMSEUQQUBRHM-UHFFFAOYSA-N 284.359 3.790 30 20 CHED C=CCC1(O)CCN(C(=O)[C@H](CCCCC)C(C)C)CC1 924439388 YYDCTJCXGBRICO-MRXNPFEDSA-N 295.467 3.769 30 20 CHED Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1ccsc1)CC2 920066307 XDPYTCCEJLPHOZ-UXBLZVDNSA-N 288.324 3.560 30 20 CHED CCN(C(=O)c1ccc(C#N)c(Cl)n1)c1ccccc1C 752997344 QEKCWVAJDLROCP-UHFFFAOYSA-N 299.761 3.582 30 20 CHED Cc1cc(C)c([C@@H](C)OC(=O)c2ccc(C#N)[nH]2)c(C)c1 752486703 CFZGJRWCWYPWNR-CYBMUJFWSA-N 282.343 3.730 30 20 CHED C(=NNc1cnc2ccccc2n1)[C@H]1C[C@H]1c1ccccc1 755690011 XVMLOQNXMLOFJS-CABCVRRESA-N 288.354 3.831 30 20 CHED Fc1cc(F)c2c(c1)C(=NOCc1ccccc1)CCO2 920374881 BYXKTSBOSSKSEF-UHFFFAOYSA-N 289.281 3.668 30 20 CHED Clc1c[nH]ccc1=NN=CC1CCCCCC1 756841899 CHJQGGNFUHMZSP-UHFFFAOYSA-N 251.761 3.525 30 20 CHED C#CCCCCNC(=O)N[C@@H](CC(C)C)c1ccccc1 758680240 NDXJQGXZYSFBDM-KRWDZBQOSA-N 286.419 3.877 30 20 CHED CCC(CC)OC(=O)c1ccc(C(F)(F)F)cc1C#N 754839976 CXQTUBQMWAEANN-UHFFFAOYSA-N 285.265 3.922 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1F 185659338 IRPDPYJZJPITRI-UHFFFAOYSA-N 287.256 3.833 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 859858492 CVUPBHIZZIPBFV-BRWVUGGUSA-N 297.398 3.836 30 20 CHED Cc1cc(O)c(CN(C)c2ccc(C#N)cc2)cc1C 754760637 ZUDFBDKYGIHUKL-UHFFFAOYSA-N 266.344 3.517 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1ccc(Cl)c(F)c1 860420749 UJVLYISTVOVZAU-UHFFFAOYSA-N 297.757 3.895 30 20 CHED COc1cccc(NN=CCc2ccc(F)cc2Cl)n1 766454805 LZDMFETWBCHHBC-UHFFFAOYSA-N 293.729 3.523 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)OCCCCC(C)(C)C#N 768850156 YGIBQJBCJQVTIJ-OLZOCXBDSA-N 253.386 3.932 30 20 CHED Cc1ccc(F)c(NN=C2CCCc3scnc32)c1 863100484 VVPMZTSYTCBWSU-UHFFFAOYSA-N 275.352 3.743 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 933015643 UIVSOPFSGYDTBD-DHSIGJKJSA-N 284.403 3.687 30 20 CHED CC(=NOCC(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] 761274328 SHANQAFOVQQWLA-GFCCVEGCSA-N 278.352 3.822 30 20 CHED C=CCC[C@@H](CC)NC[C@]1(O)CCCc2ccccc21 765877716 FOMTVLSXXJCDPM-SJLPKXTDSA-N 273.420 3.545 30 20 CHED CCN(C[C@@H](O)c1ccc(C#N)cc1)c1ccc(C)cc1C 763493080 NBJGSKQPXHXFER-LJQANCHMSA-N 294.398 3.735 30 20 CHED CC#CCCCC(=O)Nc1nnc(C2CCCCC2)s1 767045124 FWKVUJMNWMINQJ-UHFFFAOYSA-N 291.420 3.718 30 20 CHED C#CCCOc1ccc(CNc2ccc3c[nH]nc3c2)cc1 864043501 PNVHWRIHHLWMLZ-UHFFFAOYSA-N 291.354 3.577 30 20 CHED CC(C)(C)C1CCC(CC(=O)[C@@H](C#N)c2ccncn2)CC1 760341820 VPVYHMXAGVIODR-NRXISQOPSA-N 299.418 3.895 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1cc(F)ccc1F 767652521 MTGUMYANXPOQRT-SNVBAGLBSA-N 266.287 3.619 30 20 CHED Cc1sc(NC[C@H](C)C#N)nc1-c1ccc(F)cc1 865568502 RRILKUQCAUTNKG-SECBINFHSA-N 275.352 3.829 30 20 CHED C=CC[C@H]1N(C[C@@H]2CC3(CCC3)C(=O)O2)CCCC1(C)C 769954890 XXJOWRAVHLXWBJ-LSDHHAIUSA-N 291.435 3.539 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cccc2nsnc12 764564277 QHGDQTFNKMPNOP-UHFFFAOYSA-N 295.367 3.759 30 20 CHED CC(C)N1CCC(CCNC2CCC(C)(C#N)CC2)CC1 865717178 RLGTYZKWDGTSRM-UHFFFAOYSA-N 291.483 3.559 30 20 CHED C=CCOCSc1nnc(C[C@H](C)c2ccccc2)o1 865347315 XMVXUCWADYLHMW-LBPRGKRZSA-N 290.388 3.668 30 20 CHED CCC/C=C\C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 769641241 VMFDUFBDJDIYSS-FPLPWBNLSA-N 276.424 3.958 30 20 CHED CC(C)(C)Nc1ccccc1NC(=O)C#Cc1ccccc1 760523476 BQTMAUPRVJAESH-UHFFFAOYSA-N 292.382 3.887 30 20 CHED FC(F)(F)c1ccc(C=Nn2cnc3ccccc32)s1 761787015 VBDKHHKBBPRTBO-UHFFFAOYSA-N 295.289 3.999 30 20 CHED Cc1n[nH]c(C)c1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 763290681 SFXFXOLCKNEJCS-WPBJZHHJSA-N 278.355 3.726 30 20 CHED CC(C)(C#N)CCCNc1c(F)cccc1-n1cccn1 762798295 UUZDCOVPJIRZEJ-UHFFFAOYSA-N 286.354 3.753 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@H]2c2ccccc2)nc1 763368082 JSIZKZGPTUSJFB-AWEZNQCLSA-N 295.342 3.515 30 20 CHED C=CC[C@@H](NC[C@H](Cc1ccccc1)OC)c1ccncc1 877046069 HPJWOKRLVDYKLO-RBUKOAKNSA-N 296.414 3.546 30 20 CHED CCC(=NN=c1cc[nH]cc1Cl)c1ccccc1F 778541789 QGXLGHRSJQXTHS-UHFFFAOYSA-N 277.730 3.522 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccnc2Cl)cc1F 776728387 FHFQZMDDAWOOCJ-WAYWQWQTSA-N 286.693 3.642 30 20 CHED CCc1cnc(CNc2ccc(OC(C)C)c(C#N)c2)o1 771881342 SFGPXJQCZJGZKD-UHFFFAOYSA-N 285.347 3.508 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 879108693 PQJKGXJUERIJOU-HOCLYGCPSA-N 271.404 3.993 30 20 CHED Cc1nc(-c2ccc(C(=O)O[C@@H](C)CC#N)s2)cs1 870204801 JKHLGWOKUGDLNF-QMMMGPOBSA-N 292.385 3.639 30 20 CHED C#CCCCCN[C@H](C)c1cnn(-c2ccccc2)c1C 773040798 OAPQPDRHPWREAB-OAHLLOKOSA-N 281.403 3.635 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 879539501 XKQLBRUPQRWUCY-ZDUSSCGKSA-N 274.408 3.532 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)CCc1ccccc1F 775778788 XSPKBEDMOWFVJJ-AWEZNQCLSA-N 292.398 3.754 30 20 CHED C=CC(C)(C)CC(=O)NCc1cn(CCCCC)nc1C 879355605 GMBWZQJFWDMDHQ-UHFFFAOYSA-N 291.439 3.600 30 20 CHED N#C[C@H](OC(=O)c1cccc2cnccc12)C1CCCCC1 776389938 BYPJUTZFHVKXLZ-KRWDZBQOSA-N 294.354 3.864 30 20 CHED C=CC[C@H](C(=O)OC/C=C\Cl)c1ccccc1 778419043 PRAASDFYYKTMLS-HKBVPSITSA-N 250.725 3.642 30 20 CHED CCc1nc(C)c(NC(=O)[C@H](CC#N)c2ccccc2)s1 1128610202 JEUSZOHIEQJOGE-CYBMUJFWSA-N 299.399 3.650 30 20 CHED C=C1CCC(C(=O)N(C)c2ccc(F)c(F)c2)CC1 888386441 YXWDKXYPABSLBN-UHFFFAOYSA-N 265.303 3.674 30 20 CHED C=CCCCOC(=O)[C@@H](C)c1cn(C)c2ccccc12 772852442 ULUDUVUZMRKKHB-ZDUSSCGKSA-N 271.360 3.791 30 20 CHED C=C(CC)COC(=O)c1cc(C(C)C)nc2onc(C)c12 773480410 CCSFZPTWIQEANR-UHFFFAOYSA-N 288.347 3.778 30 20 CHED CCC(=NNc1ccc(C#N)cc1)c1ccc(C#N)cc1 773035381 RIWGJZPIKUPXHC-UHFFFAOYSA-N 274.327 3.656 30 20 CHED Fc1cc(C=NOC2CCCC2)c2ncccc2c1 774607249 DFAHUXNDXIURSR-UHFFFAOYSA-N 258.296 3.667 30 20 CHED COc1ccc(CSCC2(CC#N)CC2)c(OC)c1 882306729 FQULSILCOFMGHU-UHFFFAOYSA-N 277.389 3.631 30 20 CHED C[C@@H]1C[C@@H](CC/N=C/c2cc(Cl)ccc2O)CCO1 783684676 GZIVTWVISGMXLS-VGZAMENASA-N 281.783 3.670 30 20 CHED Cc1nc(C#N)cc(Sc2ncc(C(C)(C)C)s2)n1 882091259 ZMCIVIKIIOUMPT-UHFFFAOYSA-N 290.417 3.562 30 20 CHED C#CCCCCCC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 780329032 KYMLRXPQCVKTCU-ZDUSSCGKSA-N 289.331 3.783 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1sc(CC)nc1C 1120733949 SWGKZHPIRPZROO-LBPRGKRZSA-N 278.421 3.585 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc(NC(=O)N(C)C)c1 894742294 CKIBJFFKQWABLX-LBPRGKRZSA-N 288.395 3.520 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1scnc1C1CC1 785514346 OGTXPZQNGGTPQF-NSHDSACASA-N 299.399 3.923 30 20 CHED CCOCOc1ccc(CNc2cccc(C#N)c2C)cc1 783587020 DXPWXZOJILKWNK-UHFFFAOYSA-N 296.370 3.852 30 20 CHED CCOc1ccc(O)c(/C=N/C[C@@H](SC)C(C)(C)C)c1 783682522 WNKZAMAAZNLZKJ-ZXMBATIKSA-N 295.448 3.988 30 20 CHED CCN(CC#N)Cc1cccc(SC(F)(F)F)c1 781327212 BDNGGSSDFSQMOM-UHFFFAOYSA-N 274.311 3.644 30 20 CHED Cc1ccccc1C=NOCCCCOC(C)(C)C 788783193 BIAOFPHCHOVYLS-UHFFFAOYSA-N 263.381 3.941 30 20 CHED C[C@H]1CCC(=NNc2cnc3ccccc3n2)[C@@H](C)C1 783838991 AQEOZHAUMCANGT-RYUDHWBXSA-N 268.364 3.854 30 20 CHED CCc1ccccc1COC(=O)c1ccc(C#N)s1 782281057 RNQMDHDQBYHNEH-UHFFFAOYSA-N 271.341 3.539 30 20 CHED CC#CCCCC(=O)N1Cc2ccccc2[C@@H]1CC 890615102 PYFOZSQANDUOAO-INIZCTEOSA-N 255.361 3.674 30 20 CHED Cc1cc(F)cc(C(=O)OCCCC(C)(C)C#N)c1 783912709 YQYOJBHJQUTALW-UHFFFAOYSA-N 263.312 3.621 30 20 CHED Cc1ccc(F)c(CN(C)C(=O)c2ccc(C)c(C#N)c2)c1 799375902 KHRXNNWYFMVYFY-UHFFFAOYSA-N 296.345 3.586 30 20 CHED Cc1ccc(C(=O)N2CCCC[C@H]2C(C)C)cc1C#N 799341374 OFDJJKLTUWGZCQ-INIZCTEOSA-N 270.376 3.517 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1cc(F)cc(C#N)c1 1208346303 UAJAQDPFZQDXLP-UHFFFAOYSA-N 277.343 3.597 30 20 CHED N#CCN(C(=O)CCC1CCCCCC1)c1ccccn1 892473432 UPVRFFWHJASJBA-UHFFFAOYSA-N 285.391 3.689 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H](c3cccc(F)c3)C2)c(CO)c1 893660137 VHVSLHGRIAPWDJ-CZIWCDLHSA-N 296.345 3.548 30 20 CHED C=C[C@H](CC)CC(=O)Nc1n[nH]c(C)c1-c1ccccc1 893762808 KQVVQWRNALZEHD-CYBMUJFWSA-N 283.375 3.926 30 20 CHED c1ccc(CNN=C2CCC[C@H](c3cccnc3)C2)cc1 799870459 MJSPCBNGLOLVKT-INIZCTEOSA-N 279.387 3.885 30 20 CHED CC[C@H](C)CON=C(C)c1nc2c(s1)CCCC2 793158446 GNBSGBGOIBXYFA-JTQLQIEISA-N 266.410 3.809 30 20 CHED Clc1cccc(NN=C/C=C/c2ccccc2)n1 793180814 AIXMSHKAFKADOL-URNYPOLCSA-N 257.724 3.846 30 20 CHED FCC[C@H]1CCCC1=NNc1cc(F)cc(F)c1 794900753 CWKACSJBYZKTMZ-SECBINFHSA-N 256.271 3.892 30 20 CHED Oc1nc2ccccc2cc1/C=N\C[C@H]1CCC(F)(F)C1 797398942 SFYJOSUVOPUFKT-ORPVNXHJSA-N 290.313 3.795 30 20 CHED CCc1ccc(C=NNCc2ccccc2N(C)C)s1 794949599 QNGUYJUPLXMVSQ-UHFFFAOYSA-N 287.432 3.500 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1C[C@H](C)N(C2CC2)C1 793530852 GIZAQXPSPRLCOQ-HRCADAONSA-N 264.457 3.726 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCC[C@@H](C)C2)c1C#N 1306927674 FQTYHURDYCWPKB-KOLCDFICSA-N 263.772 3.906 30 20 CHED CCC[C@@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1 1520186845 JEUHIWAPRWSVOH-OAHLLOKOSA-N 271.364 3.549 30 20 CHED COc1cc(OCCc2ccc(Cl)cc2)ccc1C#N 1307336853 OWHBGMHUQLKDMW-UHFFFAOYSA-N 287.746 3.842 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1c(F)cccc1F 135682227 FXDNSFSIKVMKRV-SECBINFHSA-N 278.327 3.749 30 20 CHED CCc1ccc2c(c1)CCN2Cc1ccc(F)cc1C#N 1176864905 QFEWNXVZIXFOJT-UHFFFAOYSA-N 280.346 3.822 30 20 CHED CC1(C)CCC[C@@H]1c1nnc(COc2ccc(C#N)cc2)o1 1326959925 KWFHXHCDZDJXAI-CQSZACIVSA-N 297.358 3.814 30 20 CHED CC(=NNc1ccn(C)n1)c1cc2cc(C)c(C)cc2o1 1326243167 ZVXOXUWLIMCKLS-UHFFFAOYSA-N 282.347 3.619 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1cccc(Cl)c1 702937106 SDPDIZSMBPLEAT-GFCCVEGCSA-N 264.800 3.800 30 20 CHED N#Cc1ccccc1OCc1nnc(C2CCCCCC2)o1 1322089798 XKSKGYHUKZSYDX-UHFFFAOYSA-N 297.358 3.958 30 20 CHED C=CCN(CC=C)Cc1cc(Br)ccc1F 520059179 SXDWQLWRQKCGRI-UHFFFAOYSA-N 284.172 3.762 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1F 190323022 WDLIHSBTCKSHBT-UHFFFAOYSA-N 285.709 3.835 30 20 CHED CC[C@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 191842669 ASYNEBXDAUZABY-VIFPVBQESA-N 250.729 3.586 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1ccc(OCC#N)cc1 1326657387 UELRYUAAGFXQRW-GFCCVEGCSA-N 289.379 3.535 30 20 CHED C=C1CCC(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)CC1 1333099355 FVRBLKZRNSSVPY-AWEZNQCLSA-N 287.403 3.528 30 20 CHED CC(C)(C)Cc1nnc(/C=C\c2ccccc2C#N)o1 1257876812 OXHIWYNHEYEZME-HJWRWDBZSA-N 267.332 3.700 30 20 CHED C=CCC1(C(=O)N2CCC(Nc3ccccc3)CC2)CCC1 1255681014 DAODOCXGAFGMHU-UHFFFAOYSA-N 298.430 3.836 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCCC[C@H]2c2ccccc2)C1 1254644132 UVROVLWGPWETBK-XOYOTBSWSA-N 268.404 3.995 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CSc2ccccc21 92274877 LPGCHFWRMRQQJW-NSHDSACASA-N 284.359 3.999 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C1(c2ccccc2Cl)CCC1 1338414394 HGUFURDLDYOWLH-LBPRGKRZSA-N 290.794 3.522 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1332594209 KZNXUAQERPJZCH-RISCZKNCSA-N 294.370 3.718 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1SCC 1336390421 WCKDAMHTPXQOGQ-CHWSQXEVSA-N 255.427 3.523 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC(F)F)c(F)c1 1337743226 KOUWROYCVGHVGQ-UHFFFAOYSA-N 273.254 3.722 30 20 CHED CCOc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1264139977 LFROKRXOSOKVDY-KRWDZBQOSA-N 294.354 3.721 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)n1 1340857327 MTZILMFBKRACRJ-LLVKDONJSA-N 298.308 3.671 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1ccc(F)c(F)c1 1345125554 UTHJWMIFINTGPS-GHMZBOCLSA-N 295.329 3.940 30 20 CHED CCc1ccc(-c2noc(-c3csc(C#N)c3)n2)cc1 1262165273 NYFIJWRDIFFOAS-UHFFFAOYSA-N 281.340 3.899 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cccc(C(C)C)c1 1349907643 UEEJNTXKTVSXCG-HNNXBMFYSA-N 258.365 3.574 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(O)ccc1Cl 1191366888 JPTUTHWBTBBOAH-UHFFFAOYSA-N 280.799 3.807 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc(C(C)C)n1 1262654777 RQCNGOMGCJLKCJ-CQSZACIVSA-N 272.392 3.776 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2c(F)cccc2s1 1340893567 PVQJONSHWVGEGB-SNVBAGLBSA-N 290.363 3.805 30 20 CHED CC(C)c1ncsc1C(=O)O[C@@H](CC#N)c1ccco1 1347948245 CNTWDGRZFKZGOG-NSHDSACASA-N 290.344 3.671 30 20 CHED C=C(C)C(C)(C)C(=O)N(CC)Cc1ccccc1F 1348958597 VYNBQFQMRBQBHI-UHFFFAOYSA-N 263.356 3.777 30 20 CHED Cc1ccc2c(CCNc3cccc(CC#N)n3)c[nH]c2c1 1343304476 BXTZAHYHPOVGKG-UHFFFAOYSA-N 290.370 3.592 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H](C)c1cccc(F)c1F 1521295399 SCOZSVDUQIGVRK-NSHDSACASA-N 267.319 3.744 30 20 CHED O=C(O)c1ccc(NN=C/C=C\c2ccco2)cc1Cl 1602382386 LGIIAHZFMNJTHP-MAPOGHOJSA-N 290.706 3.742 30 20 CHED Cc1cc(C#N)ccc1CN1CCCc2ccccc2CC1 1460111115 QEGWLBHDLAKRJK-UHFFFAOYSA-N 290.410 3.858 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc(F)cc1 1534600116 HJOXCCRRAXYJMZ-CYBMUJFWSA-N 288.347 3.640 30 20 CHED N#Cc1cccc(C(=O)O[C@@H]2CCCOc3ccccc32)c1 1544757610 PPXZFELIGVWCEW-QGZVFWFLSA-N 293.322 3.629 30 20 CHED C=C(Br)CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 1473553965 UNNWTPHPLJMPQP-ADEWGFFLSA-N 260.219 3.699 30 20 CHED N#CCC1(CN2CCC[C@H]2/C=C/c2ccccc2)CC1 1620628642 RWQCBDNQQUPCBN-IJDCCNJMSA-N 266.388 3.858 30 20 CHED CCc1ccc2c(c1)CN(Cc1ccc(C#N)cc1F)CC2 1621574694 TYADMKWPVJBINY-UHFFFAOYSA-N 294.373 3.818 30 20 CHED N#Cc1cccc(COc2ccccc2Br)c1 19505572 JYTJPMVXZXDKNX-UHFFFAOYSA-N 288.144 3.900 30 20 CHED CC(CCc1cncc2ccccc12)=NN[C@@H](C)C(F)F 1552762674 LCLGVAGERBZQPR-LBPRGKRZSA-N 291.345 3.787 30 20 CHED C[C@H](c1ccccc1)n1cc(Nc2ncccc2C#N)cn1 1640063563 MJZMKQNWQIZJLB-CYBMUJFWSA-N 289.342 3.503 30 20 CHED CC(C)[C@H]1CCCCCN1Cc1cccc(C#N)c1 1645054954 PPQLHSQDDZWTGK-QGZVFWFLSA-N 256.393 3.959 30 20 CHED C#CCCCCCCN1CCCc2c(C(=O)O)cccc21 1573302568 XVRGPXFIZVXKBH-UHFFFAOYSA-N 285.387 3.721 30 20 CHED CCCOc1ccc(CN2CCC[C@H](C#N)C2)c(C)c1 1658884023 RBRLBTZJJXHFNY-OAHLLOKOSA-N 272.392 3.519 30 20 CHED CC(C)[C@H]1CN(c2nc(C#N)c(Cl)s2)[C@H]1C(C)C 1651844315 FFOFYLLZBSQMME-KOLCDFICSA-N 283.828 3.785 30 20 CHED N#C[C@H](c1ccccc1)N1CCc2c(F)ccc(F)c2C1 1657500303 NPEKOJRSJHKSMO-QGZVFWFLSA-N 284.309 3.588 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CSCC1(C)CCCCC1 1652845954 CNUKFNSZOOJBGJ-CQSZACIVSA-N 296.480 3.698 30 20 CHED CC(C)CCN(C(=O)Nc1cc(F)cc(C#N)c1)C1CC1 1664067360 FDJAGDTWIOOYED-UHFFFAOYSA-N 289.354 3.740 30 20 CHED CCCCCCCCNc1cc(F)ccc1-c1nn[nH]n1 1590592138 DQFVKWZQVBHVEA-UHFFFAOYSA-N 291.374 3.778 30 20 CHED CC[C@H](C)CCC(=O)Nc1cc(C#N)c(F)cc1F 1597373327 KAGSCIDTWUTFOP-VIFPVBQESA-N 266.291 3.601 30 20 CHED C[C@H](NC(=O)NC[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 1676107685 BHWYOODJPPUQIM-BBRMVZONSA-N 299.418 3.745 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Nc2sccc2C#N)c1 1672818193 SSQRCROTTIFKGP-UHFFFAOYSA-N 285.372 3.905 30 20 CHED C=CCC[C@H](Nc1ncc(C(=O)O)c(C)n1)c1ccccc1 1776167914 ZNNJBVSDIOKFQC-HNNXBMFYSA-N 297.358 3.603 30 20 CHED O=C(O)/C=C/c1ccc(/C=C2\Cc3ccccc3C2=O)cc1 1777623282 AAAMXDHZTLPZOV-AKYRVGECSA-N 290.318 3.607 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2ccc(C)cc2C)C1 1776159904 RWKDHHSVJYCVDZ-GOSISDBHSA-N 287.403 3.546 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@H](CC)c2ccc(F)cc2)C1 1776158079 NHCPNJZIXHEOPT-NVXWUHKLSA-N 291.366 3.630 30 20 CHED C#Cc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1 23359223 LIEVPGOLINDFDO-UHFFFAOYSA-N 291.684 3.852 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2ccc(C#N)cc2)o1 16433607 ZUUSYIZIRKDZFR-DYVFJYSZSA-N 280.371 3.907 30 20 CHED N#CCN(Cc1cc2c(cc1O)CCCC2)C1CCCC1 160274123 WVCKGZUSZPDJBK-UHFFFAOYSA-N 284.403 3.539 30 20 CHED C=CCC[C@H](NC(=O)N(C)CCSC)c1ccccc1 160520093 ZAKPYLTVAAFJRZ-HNNXBMFYSA-N 292.448 3.698 30 20 CHED C=CCCSCC(=O)Nc1cccc(C(F)(F)F)c1 151962457 QEILZROMHWPCJI-UHFFFAOYSA-N 289.322 3.953 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)c1cccs1 152874039 RIBZZIHUABADPW-NSHDSACASA-N 270.357 3.670 30 20 CHED Cc1ccc(Oc2ccccc2NC(=O)CC#N)cc1 153535309 LNIHUJQPOATKKW-UHFFFAOYSA-N 266.300 3.640 30 20 CHED CCc1ccc([C@H](C)NCc2cc(C#N)ccc2OC)cc1 153616262 GXCWBYMIIYCFGS-AWEZNQCLSA-N 294.398 3.980 30 20 CHED C=CCCCCCN(C)C(=O)Cc1nc(C)sc1C 155619782 XYTSPSQWBMNPQK-UHFFFAOYSA-N 280.437 3.507 30 20 CHED Cc1nc(-c2cccc(NCC(C)(C)CCC#N)c2)n[nH]1 157616385 KUSCBYHLHNAZSZ-UHFFFAOYSA-N 283.379 3.522 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1ccccc1C(F)(F)F 154012558 KBXXIFMLKKWHBW-SNVBAGLBSA-N 286.297 3.594 30 20 CHED COc1cc(C#N)ccc1CSCc1csc(C)n1 159564016 MATGBUVUPIKTSX-UHFFFAOYSA-N 290.413 3.765 30 20 CHED N#Cc1cccc(C(=O)CCc2ccccc2C=S)c1 253532817 BGFSKFIIEDXSKQ-UHFFFAOYSA-N 279.364 3.722 30 20 CHED C(=N/c1ccncc1)\c1ccc(/C=N/c2ccncc2)cc1 5589083 WZOWVSSXNGVOHF-JFMUQQRKSA-N 286.338 3.978 30 20 CHED C=CCCSCCNCc1cnc(C(C)C)s1 850354736 XBUDVKDEAJLYEK-UHFFFAOYSA-N 270.467 3.665 30 20 CHED N#Cc1ccc(F)c(CNc2ccc(Cl)c(C#N)c2)c1 121056635 ASEQLMYGIUHNPL-UHFFFAOYSA-N 285.709 3.835 30 20 CHED CCN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)C#N 42323781 OEYZLWIOUWMLOD-NSHDSACASA-N 270.298 3.687 30 20 CHED N#Cc1ccccc1CN(Cc1cccs1)C1CC1 42349985 QYSAVVITCSWLRV-UHFFFAOYSA-N 268.385 3.784 30 20 CHED CCC(CC)N(CCOC)Cc1ccc(C#N)cc1C 165465319 SFRUECVCUDHMGU-UHFFFAOYSA-N 274.408 3.504 30 20 CHED CCc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)s1 165710923 XAIKBHOZTQWXMI-UHFFFAOYSA-N 287.344 3.702 30 20 CHED COc1ccc(Cl)c(NC(=O)C2(C#N)CCCCC2)c1 44467434 GYAKETSLJSJRPW-UHFFFAOYSA-N 292.766 3.761 30 20 CHED C#CCCCCC(=O)Nc1ccc(N(C)C)c(Cl)c1 179792784 MPVULKSDXNRTDO-UHFFFAOYSA-N 278.783 3.538 30 20 CHED Cc1cc(C#N)ccc1CN[C@]1(C)CCCC[C@@H]1C 308709382 LMJKUHLSTWFOHD-WMLDXEAASA-N 256.393 3.925 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 361861098 VETFJCCRIYYOQT-LLVKDONJSA-N 272.298 3.687 30 20 CHED CCCCCCCCN1CC[C@@]2(C(=O)O)CCC[C@@H]12 711619586 VJWVUCGZOOSBPN-ZBFHGGJFSA-N 267.413 3.676 30 20 CHED COc1ccc(SCc2ccc(C#N)cc2)cc1 19847629 HAJRKWHXMBMJEJ-UHFFFAOYSA-N 255.342 3.859 30 20 CHED C#Cc1cccc(NCc2ccc(OC(F)F)cc2)c1 19876800 GLWJVXRPUNPADX-UHFFFAOYSA-N 273.282 3.881 30 20 CHED Cc1ccccc1[C@@H](C)NCc1ccc(C#N)cc1 20126224 MRHLVHRUJCJGOQ-CQSZACIVSA-N 250.345 3.718 30 20 CHED C[C@H](CCc1ccc2c(c1)OCO2)Nc1cccc(C#N)c1 20828382 GDCFPPDMYWPLTL-CYBMUJFWSA-N 294.354 3.720 30 20 CHED O=C(/C=C\c1ccc2nccnc2c1)c1cccs1 34254234 BGXBGJHLEURXJZ-XQRVVYSFSA-N 266.325 3.587 30 20 CHED C[C@H]1C[C@H](C)CN(c2c(C#N)cnc3ccccc23)C1 36913232 URLBTSAQGOHWPB-STQMWFEESA-N 265.360 3.589 30 20 CHED N#Cc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])cc1 36954170 FVXXDFZSUIMMGB-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CC(C)C[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 37255384 CVHZSNDAJWXYFO-UONOGXRCSA-N 260.381 3.674 30 20 CHED COc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1F 37290423 VOBKSZFUGMJXAW-LLVKDONJSA-N 270.307 3.879 30 20 CHED N#CC1(C(=O)Nc2cccc3c2CCCC3)CCCC1 44293002 KTXBKTRBKSPOGI-UHFFFAOYSA-N 268.360 3.588 30 20 CHED Cc1ccc([C@H](C)Nc2nnc(C)c(C)c2C#N)s1 48738788 MMNZMJDJGCTFJI-NSHDSACASA-N 272.377 3.508 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@H]1Cc2ccccc2O1 52857368 GUPUEZFQCJMGKB-CQSZACIVSA-N 284.746 3.627 30 20 CHED CCCCC[C@@H](C)NC(=O)CCc1ccc(C#N)cc1 53676528 IFORWYDKHWIZJI-CQSZACIVSA-N 272.392 3.576 30 20 CHED C=CCN(C(=O)c1cc(OC)ccc1OC)c1ccccc1 58642220 LFOXJGCJZKFMTL-UHFFFAOYSA-N 297.354 3.537 30 20 CHED CCCN(Cc1ccccc1)Cc1ccc(C#N)cc1 58876630 VYGGHCLLJAYYQO-UHFFFAOYSA-N 264.372 3.970 30 20 CHED C=CCN(Cc1cccs1)C(=O)Cc1ccc(F)cc1 60677796 IFFJJWVFECITIN-UHFFFAOYSA-N 289.375 3.645 30 20 CHED COc1ccc(C#N)cc1NC(=O)CCC1CCCCC1 64456438 YPPYRIPSNJJXFH-UHFFFAOYSA-N 286.375 3.866 30 20 CHED Cc1cc(C)c(-c2nnc(S[C@@H](C)C#N)o2)c(C)c1 75457076 JSEAYYASZYAMGT-NSHDSACASA-N 273.361 3.666 30 20 CHED Cc1ccc(C)c(NC(=O)N(C)Cc2cccc(C#N)c2)c1 75942610 AXLQMWOXRVKQSH-UHFFFAOYSA-N 293.370 3.839 30 20 CHED CC(C)[C@H](C)SCc1nnc(-c2ccc(C#N)cc2)o1 79077657 TXDCNKJBNCVNCD-NSHDSACASA-N 287.388 3.886 30 20 CHED N#Cc1cccc(CNC(=O)CCCC2CCCC2)c1 79484401 BANYTGLWMZUTOT-UHFFFAOYSA-N 270.376 3.535 30 20 CHED C[C@H](CC#N)N(C)C(=O)C1CCC(c2ccccc2)CC1 80027959 KWUJOVZWGVENTD-ODIFPOPNSA-N 284.403 3.721 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C2CC2)oc2ccc(Cl)cc12 80397314 NJOATAMQEMGTTQ-ZDUSSCGKSA-N 289.718 3.854 30 20 CHED CC[C@H](C#N)Oc1cc(CN[C@H](C)C(C)C)ccc1OC 89632463 CKNZYSYRYFJJPG-UKRRQHHQSA-N 290.407 3.510 30 20 CHED CCSCc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1 97207974 ZZQIZNIAGRTWFR-INIZCTEOSA-N 290.432 3.608 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1O 97993005 ZVGMGPGVOARQOV-OQFOIZHKSA-N 286.302 3.826 30 20 CHED C[C@H](NC(=O)C1CCCCCC1)c1ccc(C#N)cc1 101812439 OEOZBKDDMFYYDT-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED C=CCCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 102217023 SJSCWLJGACISHC-UHFFFAOYSA-N 294.326 3.993 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3c(F)cccc3[nH]2)c1 103102499 PTTGHLSIIRCICO-UHFFFAOYSA-N 292.313 3.565 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C/c1cccs1 106421780 SLXNNGZHCKOEJF-BQYQJAHWSA-N 276.405 3.740 30 20 CHED C#CCOc1ccccc1OCc1cc(-c2ccco2)on1 107296876 SKAPPMAVNOPEAB-UHFFFAOYSA-N 295.294 3.526 30 20 CHED CN(c1cccc(F)c1C#N)[C@@H]1CCc2ccccc21 110195370 JCLLWVODXLSPGX-QGZVFWFLSA-N 266.319 3.821 30 20 CHED C=CC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 110367670 SCLVGVCDZGKUAW-UHFFFAOYSA-N 299.292 3.623 30 20 CHED C=CC1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 110595576 CUOJMRBTHYWAHQ-UHFFFAOYSA-N 283.331 3.545 30 20 CHED CC(C)[C@H](OC(=O)c1ccc(C#N)cc1)c1ccccn1 113658730 JINYHHNGZWJCIU-INIZCTEOSA-N 280.327 3.507 30 20 CHED C[C@@H](CC#N)OC(=O)c1cccc2c3c([nH]c12)CCCC3 113685473 CCQHTWZXWRDUHD-NSHDSACASA-N 282.343 3.506 30 20 CHED N#CCCCCNc1ccc(C#N)c(C(F)(F)F)c1 113710259 PXOGFNUMGIUIOK-UHFFFAOYSA-N 267.254 3.683 30 20 CHED C=CCN1C(=O)/C(=C/c2cc(C)ccc2F)SC1=S 116608798 BSKYWGASSAWURC-WQLSENKSSA-N 293.388 3.521 30 20 CHED C/C(=C/C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 116798850 NSRXNBKOLSFVQG-FFTXYWRCSA-N 282.387 3.679 30 20 CHED C=C[C@@H](CC(=O)N1CC(C)(C)C1(C)C)c1ccccc1 119193838 ZVVANJHMZCMFDJ-AWEZNQCLSA-N 271.404 3.993 30 20 CHED C#CCCCCC(=O)Oc1ccc(Br)cc1 120376528 HHFQUOYOMLZOEE-UHFFFAOYSA-N 281.149 3.548 30 20 CHED CC#CCNC(=O)CCCc1cc(Cl)sc1Cl 121016695 HKECUHVJBXLNJN-UHFFFAOYSA-N 290.215 3.517 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)c1cccs1 121526205 OVGRFPLWYLOORU-WDEREUQCSA-N 295.367 3.604 30 20 CHED CN(CCC#N)c1ccc(CNc2ccc(F)cc2)cc1 121530795 JDENVCDSNGSSDC-UHFFFAOYSA-N 283.350 3.788 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1cccc(Cl)c1 121645560 FXCNWINRLKFXTC-UHFFFAOYSA-N 292.810 3.861 30 20 CHED CN(CC#Cc1cccc(Cl)c1)Cc1cccc(C#N)c1 122116447 GZIZWFQLKFTDSQ-UHFFFAOYSA-N 294.785 3.695 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OCCC)cc1 125022284 PBCQQRBVUZTXJL-LBPRGKRZSA-N 262.353 3.562 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@]1(C)CC 125558621 JUYNYNSMUMMIPT-AEFFLSMTSA-N 282.387 3.509 30 20 CHED C=CCN(C(=O)Cc1ccc(OC)c(F)c1)c1ccccc1 128208163 WTLQPTORHPVPHS-UHFFFAOYSA-N 299.345 3.596 30 20 CHED N#CCC[C@@H](NCc1cccnc1Cl)c1ccccc1 130390329 YMKUMGCFBAQMDS-OAHLLOKOSA-N 285.778 3.870 30 20 CHED CCn1c(SCCCCC#N)nc2ccccc21 132110324 UANAQQRXPKLIQV-UHFFFAOYSA-N 259.378 3.842 30 20 CHED Cc1ccc(CNc2ccc(C(F)(F)F)c(C#N)c2)cn1 135272584 TUCCPYPBDIABFX-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC[C@](C)(COc1ncccc1Cl)NCCCCC#N 136236221 KJJZEWLHBQJTJS-OAHLLOKOSA-N 295.814 3.566 30 20 CHED CCCCCCCCCNC(=O)Cc1ccc(O)cc1 142583396 PAODDFPSHDGHEH-UHFFFAOYSA-N 277.408 3.802 30 20 CHED Cc1ccc2cc(C(=O)O[C@@H](C#N)C(C)(C)C)ccc2n1 154237438 VPOUFXHXXUGGJC-HNNXBMFYSA-N 282.343 3.638 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 156744198 IEAGWMFYMSAHQZ-MRXNPFEDSA-N 288.391 3.508 30 20 CHED C[C@@H](CC(=O)N[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 157591553 JNVVFSQGAUTPBA-WDEREUQCSA-N 298.308 3.617 30 20 CHED N#Cc1ccc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)nc1 157955712 VDBFQQCPPFGJEC-PBHICJAKSA-N 293.370 3.533 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)c2ccc(F)cc2)CC1 159945088 MXJIGBASZHOQHM-MRXNPFEDSA-N 275.367 3.744 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H]2CC[C@H](C)C2)s1 160479795 NIPAIPYSGADTSW-WDEREUQCSA-N 276.405 3.947 30 20 CHED Cc1ccc([C@H](C)Nc2cc(C#N)cc(C)n2)cc1 161006669 WWFKKKCORYNKNN-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(CCCC)c1C 163071864 JWPWFQJDQXWQBI-UHFFFAOYSA-N 275.396 3.699 30 20 CHED CCCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 171370223 GLCSRGFLNRDPMU-UHFFFAOYSA-N 285.391 3.894 30 20 CHED COc1ccc(CN(C)Cc2cc(C#N)ccc2F)cc1C 171391876 CSUWJHXSNLDCQT-UHFFFAOYSA-N 298.361 3.646 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H](C)c1cccc(F)c1 173527230 KYKOSHOOXVFSCF-AWEZNQCLSA-N 290.382 3.718 30 20 CHED C=CCCCC(=O)Nc1ccc(N2CCCC2)c(C)c1 175220796 YEHNQIGSBDFEKJ-UHFFFAOYSA-N 272.392 3.890 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1cc(C#N)ccc1C 175290774 MPJBXGFDRGTLMJ-GFCCVEGCSA-N 273.380 3.767 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 175326977 LHEVRFPTFRNURQ-NSHDSACASA-N 283.318 3.822 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cscc1C 175519350 HQBCLECPTMLRSW-UHFFFAOYSA-N 271.385 3.885 30 20 CHED C[C@H](OC(=O)c1ccc(Cl)nc1)c1ccc(C#N)cc1 175767064 KJWUVYFSZYEOOL-JTQLQIEISA-N 286.718 3.525 30 20 CHED C[C@H](OC(=O)c1cccnc1Cl)c1ccc(C#N)cc1 175781857 SKZONGODFRKSHA-JTQLQIEISA-N 286.718 3.525 30 20 CHED C[C@H](Cc1ccsc1)N(C)Cc1cccc(C#N)c1 176443485 CEQUFPRDYRRAHA-CYBMUJFWSA-N 270.401 3.683 30 20 CHED Cc1cnc([C@H](NCc2ccc(C#N)s2)C2CC2)s1 176976313 HQIDODAYTSWUCG-CYBMUJFWSA-N 289.429 3.626 30 20 CHED CCn1c(SCCCC(C)(C)C#N)nnc1C1CC1 177214286 IXYWPPWZVKIHDR-UHFFFAOYSA-N 278.425 3.597 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(F)c(Br)c1 178641383 WKJAQKAUKXSKIZ-SNVBAGLBSA-N 299.187 3.933 30 20 CHED CC[C@H](NCCCSCC#N)C(C)(C)c1ccccc1 180010724 NZVXDJINHSKYKF-INIZCTEOSA-N 290.476 3.979 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 180287182 AELBJRJGJAYPES-RHSMWYFYSA-N 287.378 3.929 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ncc(C)s1 180449862 AGRGNDROZOGIPZ-UHFFFAOYSA-N 283.400 3.511 30 20 CHED CCCOc1ncccc1CN[C@H](C)c1cccc(C#N)c1 181581103 YVDYBZNCAVGVSI-CQSZACIVSA-N 295.386 3.593 30 20 CHED Cc1ccc(-c2ccc(CNC[C@H](C)C#N)o2)cc1 183828171 BLVZODSHWYVAGE-CYBMUJFWSA-N 254.333 3.504 30 20 CHED CC[C@H](CC#N)NC(=O)CCc1ccc(CC(C)C)cc1 183972027 RIODXOOCOVIYAT-QGZVFWFLSA-N 286.419 3.626 30 20 CHED CSCCCCCCNCc1ccc(C#N)cc1 184178932 MTOMQIILPDEZLR-UHFFFAOYSA-N 262.422 3.571 30 20 CHED N#C[C@H](C(=O)c1scnc1C1CCCC1)c1ccccn1 185251830 ZAKICAGDEVQTIX-LBPRGKRZSA-N 297.383 3.686 30 20 CHED CN(CCCCN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 185793839 YLVBVQJSZNMJGD-DLBZAZTESA-N 285.435 3.575 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ncc(-c2ccccc2)cn1 186048077 MIMFWNUFLGZOMR-HUUCEWRRSA-N 281.403 3.834 30 20 CHED C[C@@H](CCC1CC1)Nc1ccccc1O[C@H](C)C#N 186497571 VKPHJKDFRAXPGI-QWHCGFSZSA-N 258.365 3.968 30 20 CHED CC(C)(C)OC(=O)CSCc1ccc(Cl)cc1C#N 186702183 AXWFNKIQRXBEJW-UHFFFAOYSA-N 297.807 3.787 30 20 CHED C=CCC[C@@H](C(=O)NCc1ccoc1)c1ccccc1 187843968 AQMJVVNHQSIQOM-MRXNPFEDSA-N 269.344 3.646 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCC[C@H](SCC)C1 188390409 GVKSNHKZLDAUMN-ZFWWWQNUSA-N 269.454 3.723 30 20 CHED CCCCCCCCCn1nc(C)c(CCO)c1C 190124996 QVHHPNTZVSPIHY-UHFFFAOYSA-N 266.429 3.785 30 20 CHED C=CCC1(C(=O)NCc2ccc(OC(F)F)cc2)CCC1 190681494 PDIZNQNRSFTRFQ-UHFFFAOYSA-N 295.329 3.651 30 20 CHED C#CCN(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 191141593 GQDOWXUWNJUTJS-UHFFFAOYSA-N 281.330 3.506 30 20 CHED CC(C)(C)n1cc(/C=C/C(=O)c2cccc(Cl)c2)nn1 191210249 DTBRBVXZDNPXCZ-BQYQJAHWSA-N 289.766 3.583 30 20 CHED Cc1ccccc1C1CCN(Cc2cc(C#N)n(C)c2)CC1 191326103 GMWRFPSUJGRBNU-UHFFFAOYSA-N 293.414 3.585 30 20 CHED C[C@@H](CC#N)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 194717139 RAELUCDYWXTVKX-LBPRGKRZSA-N 290.794 3.570 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(OCC#N)cc1 205568648 WVTFBWHLVSTLEX-SREVYHEPSA-N 283.352 3.855 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)s2)cc(OC)c1 211710774 FRPVFYVGUNCMHR-WAYWQWQTSA-N 288.368 3.970 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)c([N+](=O)[O-])c2)cc1 211748228 NSFMLRQEQQUTLM-YHYXMXQVSA-N 297.310 3.808 30 20 CHED C=CCSCCN[C@@H]1CCc2cc(Cl)ccc21 221938948 KILFEQJYZBGPHW-CQSZACIVSA-N 267.825 3.836 30 20 CHED Cc1cc(F)ccc1-c1noc(-c2ccc(C#N)s2)n1 230997873 YHCKKKDBDCTNQP-UHFFFAOYSA-N 285.303 3.784 30 20 CHED COc1cc(CN(C)c2cccc(C)c2)ccc1C#N 234940047 ZVUWOOBVMHMXEK-UHFFFAOYSA-N 266.344 3.512 30 20 CHED Cc1c(Oc2nccc(C#N)c2Cl)cccc1[N+](=O)[O-] 235813041 UFKSYQGAWSXBTJ-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=CCCCCCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 248735311 NMZDLACYLKVDEN-FUHWJXTLSA-N 276.468 3.682 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1 249418080 ZYPMKAAVYDOSBX-CTYIDZIISA-N 270.376 3.908 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2cccnc2C)cc1OC 254953948 PGSZYRCIQDAWQS-FPLPWBNLSA-N 297.354 3.612 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)/C=C\c1ccco1 255317266 ZAYWBJVNQGSLRR-VURMDHGXSA-N 295.342 3.625 30 20 CHED N#Cc1ccc(C(=O)/C=C\C2=Cc3ccccc3OC2)s1 255391228 FZCYVZQLKHCYKH-ALCCZGGFSA-N 293.347 3.835 30 20 CHED CC(C)(C)c1ccc(N=Cc2ccc(O)c(O)c2O)cc1 255494949 ZWSCPPACBPBRNW-UHFFFAOYSA-N 285.343 3.852 30 20 CHED CCCc1ccc(C(=O)/C=C\c2cn(C)nc2C)cc1 255617844 VLWBAHCRQZMREB-KHPPLWFESA-N 268.360 3.577 30 20 CHED CCCCc1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1 264079829 CWLKYOIVYMRPIX-CYBMUJFWSA-N 273.380 3.653 30 20 CHED Cc1cccc(C(=O)N(CCC#N)CC(C)(C)C)c1C 264944431 WSZNYXIEIBDAKX-UHFFFAOYSA-N 272.392 3.705 30 20 CHED N#Cc1cccc(C2(NC(=O)C3CCCCCC3)CC2)c1 269602135 HVXXANDWZKXGSW-UHFFFAOYSA-N 282.387 3.634 30 20 CHED C=C[C@H](CC(=O)NCC1CCSCC1)c1ccccc1 270410437 HSOPBKPUUIQHML-OAHLLOKOSA-N 289.444 3.606 30 20 CHED C=C(Cl)CN[C@H](C)c1nc2ccc(Cl)cc2n1C 271730904 OZYQLTLQVAVNMK-SECBINFHSA-N 284.190 3.630 30 20 CHED CC(C)Oc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 274222185 QENWCLULMYRSHR-ZBFHGGJFSA-N 272.392 3.646 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nnc(-c3ccccc3)o2)C1 278686056 ZAQIPAAPQFQBLY-PWSUYJOCSA-N 271.345 3.521 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cnn(CCC)c1 279544925 SRKVBTQLDLKNFV-UHFFFAOYSA-N 297.402 3.512 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(NC(C)=O)cc1 281148501 ASFRNOJYEJNLRF-SWLSCSKDSA-N 260.381 3.650 30 20 CHED COc1cc(CN[C@H](c2ccccc2)C2CC2)ccc1C#N 281685366 MPIAAFQHIYASOE-LJQANCHMSA-N 292.382 3.808 30 20 CHED C=CCn1c(SCCCCF)nnc1-c1ccccc1 285260891 SIWXKTFYCJCJKP-UHFFFAOYSA-N 291.395 3.973 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H]1CC(C)(C)Oc2ccccc21 285814475 QWUISBNFEGQKHL-YOEHRIQHSA-N 287.359 3.772 30 20 CHED C=C[C@H](CC(=O)NCCSC(C)C)c1ccccc1 287172242 SRZGBDRVTPTGAN-CQSZACIVSA-N 277.433 3.604 30 20 CHED Cc1cc(NC(=O)CCCCC(C)(C)C)nn1CCC#N 288428604 ODOCPRJIFBJZOD-UHFFFAOYSA-N 290.411 3.650 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)C1(c2ccccc2)CCCC1 291371085 DAOAXPDGHIBBGS-HNNXBMFYSA-N 284.403 3.553 30 20 CHED CCCCCCCn1cc([N+](=O)[O-])c(=O)c2ccccc21 291693413 STFAVPFETAXECU-UHFFFAOYSA-N 288.347 3.880 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl 293795498 OZMOGMXUPYLPJP-UHFFFAOYSA-N 296.754 3.580 30 20 CHED C[C@H](CCC#N)N[C@@H](c1ccccc1)c1nccs1 298611561 MGFIRJKTMXQFNJ-OCCSQVGLSA-N 271.389 3.514 30 20 CHED CCSCC[C@H](C)Nc1ccc(Cl)c(C#N)n1 301504441 CEIQCWSXBBYTAV-VIFPVBQESA-N 269.801 3.550 30 20 CHED C=C(C)COCCNc1cc(C)nc2c(OC)cccc12 301708740 JKYVJETXBONRHE-UHFFFAOYSA-N 286.375 3.556 30 20 CHED N#Cc1ccc(SCc2c(Cl)cccc2Cl)nn1 301954188 DFHRNQYQRNVSMM-UHFFFAOYSA-N 296.182 3.947 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCc2ccccc2)c1 302053608 YLNGRRIRKTTXGM-UHFFFAOYSA-N 278.355 3.806 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]3OCCC[C@@H]23)c(C(F)(F)F)c1 302528324 DPDZWJQKPUCQSS-ZLKJLUDKSA-N 296.292 3.556 30 20 CHED Cc1ccsc1C/N=C(\N)N[C@@H](C)CCCC(C)C 303770215 BQRLUOALZNFSQB-ZDUSSCGKSA-N 281.469 3.676 30 20 CHED Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(C#N)cc2)c1 303966343 QKDJXWDHJFUWBM-HNNXBMFYSA-N 292.382 3.536 30 20 CHED Cc1cnccc1C/N=C(/O)c1coc(C2CCCC2)n1 328748315 LZJYAVBMAQNRSM-UHFFFAOYSA-N 285.347 3.540 30 20 CHED C[C@H](/N=C(/O)C[C@@H]1CCCC(O)=N1)C1CCCCC1 329649500 KGOQMCCUSHZFIX-AAEUAGOBSA-N 266.385 3.811 30 20 CHED Cc1cnc(N=C(O)N2CCC[C@H]2CCC2CCCC2)o1 330257552 LQFSFJSQHOCITB-AWEZNQCLSA-N 291.395 3.963 30 20 CHED CCC(CC)(C(=O)N[C@@H]1CCC[C@H]1C#N)c1ccccc1 331114950 KJODQKANOOFSHE-GOEBONIOSA-N 284.403 3.553 30 20 CHED C[C@@]1(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]2C[C@@H]2C1 334645333 NXYDFLPGADQMRR-ATCWAGBWSA-N 288.778 3.781 30 20 CHED N#CC1(CSc2ccc(Br)cn2)CCC1 336257322 FDSGOKRPHFPWHV-UHFFFAOYSA-N 283.194 3.630 30 20 CHED N#CCC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 336477859 MLWRYBDVHAEEOA-CYBMUJFWSA-N 298.411 3.596 30 20 CHED N#Cc1ccc(CCC(=O)N2CCCC3(CCCC3)C2)cc1 336539164 OIKXSASBBIGYSW-UHFFFAOYSA-N 296.414 3.674 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H](C)c1ccc(F)cc1 337887076 DWGUMJPWVWTRBB-CYBMUJFWSA-N 296.345 3.839 30 20 CHED Cc1ccc(C)c(CN(C)C(=O)c2cccc(C#N)c2C)c1 338037956 XGDBVOMQIQEAPF-UHFFFAOYSA-N 292.382 3.756 30 20 CHED C[C@@H](C#N)CN(C(=O)[C@H](C)c1cc2ccccc2o1)C1CC1 338303722 WUTBCMRKGDHUSC-QWHCGFSZSA-N 296.370 3.687 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 338362660 SZNIIXLFBBRDPZ-MRXNPFEDSA-N 279.343 3.831 30 20 CHED CC(C)(CC(=O)Nc1ccc(CC#N)cc1)C1CC1 338599487 UGDMGQRUZMBIGM-UHFFFAOYSA-N 256.349 3.517 30 20 CHED C[C@]1(CN=c2[nH]ccc(C#N)c2Cl)C[C@@H]1c1ccccc1 338741074 NFVWJRPMFBYJKO-RHSMWYFYSA-N 297.789 3.634 30 20 CHED COc1ccc(CN2CCC[C@H]2c2ccccc2)cc1C#N 340129047 NMDWAEKMJJVRNL-SFHVURJKSA-N 292.382 3.904 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)[C@]1(C)CCCO1 340319104 JSWXIEUVAGBJPG-PBHICJAKSA-N 288.391 3.739 30 20 CHED Cc1cc(NCc2c(F)cccc2Cl)cc(C#N)n1 341923588 AIFAKQCBHNHNTP-UHFFFAOYSA-N 275.714 3.666 30 20 CHED Cc1cc(N(C)Cc2cc3ccccc3o2)cc(C#N)n1 342816573 IDRDSNYCJCGRMH-UHFFFAOYSA-N 277.327 3.644 30 20 CHED CCN(Cc1ccccc1)Cc1cn2ccccc2c1C#N 343321747 XHUOZINMRXCOCK-UHFFFAOYSA-N 289.382 3.833 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cncc(CC)c1 347877138 GCVPPTNMFZRSRD-UHFFFAOYSA-N 294.398 3.863 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCSc3ccc(F)cc32)C1 349355069 NPNOZHRFZBCGFX-SCDSUCTJSA-N 276.380 3.644 30 20 CHED C=CCCCCCN(C)C(=O)c1cc[nH]c1C(C)C 353224725 CHGVHRFMNWLJLR-UHFFFAOYSA-N 262.397 3.957 30 20 CHED C=CCCC1(C(=O)N[C@H](C)Cc2cccs2)CC1 354427527 SLTUJXSGZHMOQF-GFCCVEGCSA-N 263.406 3.542 30 20 CHED Cc1cc([C@H](C#N)C(=O)c2ccc(C(C)C)s2)nc(C)n1 355305255 YYEHCQVKXSWKNH-LBPRGKRZSA-N 299.399 3.768 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2nn(C(C)C)cc2c1 355376946 OIICTRVQYUBICH-LBPRGKRZSA-N 286.379 3.703 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(F)c(OC)c1 357261703 GKYDILKHABVTRF-UHFFFAOYSA-N 279.355 3.653 30 20 CHED N#Cc1ncccc1N[C@@H]1CCSc2c(F)cccc21 357303881 QCMCAAVIDCDCTK-GFCCVEGCSA-N 285.347 3.741 30 20 CHED CC(C)[C@H](NCCCCC#N)c1cc(F)ccc1F 358752972 PQAMLRWGIISDCM-HNNXBMFYSA-N 266.335 3.945 30 20 CHED N#Cc1ccccc1Oc1ncnc2cc(F)c(F)cc12 359688309 AWYZMUYWRHWCSU-UHFFFAOYSA-N 283.237 3.572 30 20 CHED CCN(CCC#N)C(=O)c1csc2cc(C)ccc12 359721679 YKGGMTIVSKEVMM-UHFFFAOYSA-N 272.373 3.586 30 20 CHED N#CCCCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 359913432 RJLRSPJJKFJOBI-GOSISDBHSA-N 292.382 3.780 30 20 CHED C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCCOC1 360868658 AELVNDIXCTZVAA-FNHZYXHNSA-N 298.430 3.730 30 20 CHED N#Cc1ccc(CNC(=O)c2cccc3ccsc23)cc1 362242896 PYQNFHJKERRLRS-UHFFFAOYSA-N 292.363 3.703 30 20 CHED N#Cc1cc(Cl)ccc1NCc1cn2ccsc2n1 362563486 ZKVQJZBRXJFFBX-UHFFFAOYSA-N 288.763 3.533 30 20 CHED COc1cccc([C@H]2C[C@@H](C)CN2c2ccnc(C#N)c2)c1 367269055 GKTRWCFSNRLPFY-FZKQIMNGSA-N 293.370 3.549 30 20 CHED C=CCCC(=O)NCc1nc(-c2ccccc2F)cs1 373334280 SYKUZNNKWBUDPZ-UHFFFAOYSA-N 290.363 3.532 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]1[C@H]1CCCO1 375296168 PAHYHZVNQWCQRL-HUUCEWRRSA-N 267.413 3.517 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(C(F)F)cc2)C1 386331410 PTAOWTONLUTACZ-UHFFFAOYSA-N 264.275 3.503 30 20 CHED Cc1nc(Oc2cccc(F)c2)c(Cl)cc1C#N 386764587 HJTLAGILSJXFPT-UHFFFAOYSA-N 262.671 3.847 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Cc1ccccc1Cl 410130458 LYSNHTGBNMCNRP-TZMCWYRMSA-N 279.811 3.990 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccccc1CSCC 410835249 NBVINRARJSJJBB-CQSZACIVSA-N 290.432 3.704 30 20 CHED COCc1cccc(OCC2(CSCCC#N)CC2)c1 413010784 HVIRLWGRXOFNHE-UHFFFAOYSA-N 291.416 3.639 30 20 CHED Cc1ccc(OCCCCNc2ncc(C#N)cc2F)cc1 413058110 AETXFJTZVBGETG-UHFFFAOYSA-N 299.349 3.672 30 20 CHED CC[C@H](N[C@H](C)[C@](C)(OC)C1CC1)c1ccc(C#N)cc1 414250429 XVDWQJGCJDGFES-BVGQSLNGSA-N 286.419 3.803 30 20 CHED C[C@H](NC(=O)NCCCCC#N)c1ccc(C2CC2)cc1 416697046 VKGVOERFBAKWNZ-ZDUSSCGKSA-N 285.391 3.618 30 20 CHED CCC1CC(N[C@H]2CCCc3cc(C#N)ccc32)C1 417371699 UUJQOUFLMRAWDV-QOJXUVEWSA-N 254.377 3.714 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425114253 SKNQIFWAFLIDKK-FRFSOERESA-N 284.403 3.904 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ncc(C#N)cc1Cl 427915148 NGAYAUALPFWECJ-NSHDSACASA-N 293.798 3.553 30 20 CHED C=CCN(CCC#N)CCCc1ccccc1Cl 428853814 BHJAGBPFJMHJEM-UHFFFAOYSA-N 262.784 3.674 30 20 CHED C=CCn1c(SC2CCC2)nnc1-c1ccc(F)cc1 430982807 VUNDDAIFNSXJAY-UHFFFAOYSA-N 289.379 3.915 30 20 CHED CN(C(=O)[C@H](C#N)CCc1ccccc1)C1CCCCCC1 433235799 VZLZSRXNQRSSJW-KRWDZBQOSA-N 298.430 3.940 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 435008246 LPPQZTZZIFCPFX-HOCLYGCPSA-N 296.414 3.532 30 20 CHED CSc1ccc2nc(-c3cccc(C#N)c3)[nH]c2c1 435683821 SEEYMMHGEJCGNH-UHFFFAOYSA-N 265.341 3.823 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 437952017 GQMAUTCDSZLBLU-SMDDNHRTSA-N 296.773 3.553 30 20 CHED C=CCC[C@H](NCc1cc(F)cc(F)c1)C1CC1 439082602 DKBWNOZZJDZPFK-HNNXBMFYSA-N 251.320 3.799 30 20 CHED CC[C@H]1C[C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)n1 443512343 VVLZXQMOSTYQCY-ZJUUUORDSA-N 283.297 3.597 30 20 CHED Cc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1C(F)(F)F 448622095 OGOVJYFQVGGXDS-ZANVPECISA-N 282.265 3.502 30 20 CHED C=CCSCCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 448817692 FRXDFCQIHTYYCT-HOTGVXAUSA-N 289.444 3.606 30 20 CHED C=CCC1(C(=O)Nc2cnn(C(F)F)c2)CCCCC1 448819803 YCWJVCJAIONSFZ-UHFFFAOYSA-N 283.322 3.743 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 448895964 PHAAJGLBQFVTIT-ZDUSSCGKSA-N 259.393 3.681 30 20 CHED Cc1csc(CNCc2ccc(C#N)c(C)c2)c1 449476713 GTKKMCMELCWYNQ-UHFFFAOYSA-N 256.374 3.526 30 20 CHED Cc1ccc(C)c([C@@H]2CN(CC3(C#N)CCC3)[C@H](C)CO2)c1 450442703 TVIMSDQAORPLAY-AEFFLSMTSA-N 298.430 3.759 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 452771844 BYGIURNASWZMLQ-MNOVXSKESA-N 297.320 3.536 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(C(C)(C)C2CCCCC2)no1 453160359 GLPAMILXOJMKIW-KGLIPLIRSA-N 290.407 3.986 30 20 CHED C=CCCc1noc(CCc2ccccc2Cl)n1 453250020 XIDAUOJXWQSFQO-UHFFFAOYSA-N 262.740 3.627 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CC2(CCC2)Oc2ccccc21 453351695 LYSGJDIDJXVJPW-ZACQAIPSSA-N 299.414 3.756 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C)c(C)c1 453369827 VABIPWPMJNOPDN-UAGQMJEPSA-N 259.393 3.688 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)NC1CCCCC1 454131874 FDVWARLLMCQBRM-UHFFFAOYSA-N 284.403 3.576 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)cnc1OC(C)C 456205271 ODVXKPSNHNUNTK-UHFFFAOYSA-N 282.771 3.817 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)[C@@H](C#N)CCc1ccccc1 457311910 ZEFOGUAFJZBROD-SZVBFZGTSA-N 298.430 3.844 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CCc2ccccc21 458814799 VOUVCJKTXNPJOT-MRXNPFEDSA-N 286.419 3.918 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N(CCC)C1CC1 460586102 RNXYCFSLCXLKJA-UHFFFAOYSA-N 276.428 3.576 30 20 CHED N#Cc1cc(F)ccc1N1CCc2c(Cl)cccc2C1 462862043 MQMWESIQRONEGQ-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1c[nH]c2c(CC)cccc12 473538187 GVBQTIWLZKACFE-IBGZPJMESA-N 298.430 3.991 30 20 CHED Cc1ccc2c(c1)CN(c1nc3c(cc1C#N)CCCC3)C2 481077773 JFTIZONPOXJNFD-UHFFFAOYSA-N 289.382 3.661 30 20 CHED C=CCCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)OC 483081910 LDHRKCOETXVZPU-UHFFFAOYSA-N 295.404 3.737 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(C(C)C)cc1 485470041 RVHLEDYGHPMTFH-OAHLLOKOSA-N 258.365 3.574 30 20 CHED N#CCn1c(/C=C/c2ccccc2F)nc2ccccc21 486072789 FQDYUXDKWJBLFP-MDZDMXLPSA-N 277.302 3.869 30 20 CHED CC(C)Oc1ccc(/C=C/c2ncccc2C#N)cc1 486073090 BYSVKIXMPGBVPP-JXMROGBWSA-N 264.328 3.911 30 20 CHED C=CCC[C@H](C(=O)N1CCO[C@H]2CCC[C@@H]21)c1ccccc1 488704210 YXZLMXVTPCPJFO-BZSNNMDCSA-N 299.414 3.516 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@@H]1CC1(C)C)c1ccccc1 489396407 VYBSNLXWKUBQBU-DZGCQCFKSA-N 257.377 3.603 30 20 CHED CCC(CC)(CC)CNC(=O)c1cccc(F)c1C#N 489732205 WEUKTXTYPMSBOU-UHFFFAOYSA-N 276.355 3.644 30 20 CHED CCCN(C/C=C/c1ccncc1)Cc1ccc(C#N)cc1 495062459 WDSLWPAMVVWHKT-ONEGZZNKSA-N 291.398 3.879 30 20 CHED C=CCCO[C@H](C)C(=O)NCC(C)(C)C1CCCCC1 498888484 RXVJCGMKHIGICS-CQSZACIVSA-N 281.440 3.690 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)NCC(C)(C)CCC#N 503520159 BBXBSBWNGOGSOA-AWEZNQCLSA-N 293.455 3.974 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)cc2)C1 505094765 VELFLGLPULHTMW-JKSUJKDBSA-N 270.376 3.503 30 20 CHED CC(C)(CNC(=O)c1ccc(C#N)cc1)C1CCCC1 510103123 PEVINLQABWNWRN-UHFFFAOYSA-N 270.376 3.504 30 20 CHED COc1ccc(-c2noc(-c3cccc(C#N)c3C)n2)cc1 511238780 FTUXNGVJFCAFRB-UHFFFAOYSA-N 291.310 3.592 30 20 CHED C=C(C)CN(CCCc1ccccc1)Cc1ccc(CO)o1 512179713 MPXMDNUWHQVTBT-UHFFFAOYSA-N 299.414 3.783 30 20 CHED C=CCCCSCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 522757214 UNGFZRAKQZFOOI-CBBWQLFWSA-N 281.465 3.627 30 20 CHED C[C@H](C#N)CNC(=O)C1(C2CCCCC2)CCCCC1 525920194 NZFSLPIXLNUOQX-CQSZACIVSA-N 276.424 3.793 30 20 CHED C=CCCC1(C(=O)Nc2ccc(-c3cncnc3)cc2)CC1 526998468 LKILBWVRUYOTCF-UHFFFAOYSA-N 293.370 3.829 30 20 CHED C[C@@H](NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 527850420 WTWOIZANRPHLQY-XJOINEQPSA-N 282.387 3.562 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccccc1C#N 531202337 JPYUJJPLWSZGDD-DNVCBOLYSA-N 276.383 3.936 30 20 CHED C[C@@H](C#N)CN(C)[C@H](C)c1cccc2ccccc12 532533653 ZBMPHIUBHHTNRE-UONOGXRCSA-N 252.361 3.992 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(CC#N)cc1)C2 534653300 JJOGXPGZIWZAJE-FCEWJHQRSA-N 296.414 3.697 30 20 CHED C[C@@H]1c2cc(F)cc(F)c2CCN1CCC(C)(C)C#N 538487101 NOPUQZOTXBUGJR-LLVKDONJSA-N 278.346 3.824 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1cccc(C)c1 540489268 RAWRZNFXMHDNSW-OAHLLOKOSA-N 274.408 3.881 30 20 CHED CC1(C#N)CCN([C@H]2CCc3ccc(Cl)cc32)CC1 541323100 DKERBVOVERYVGL-HNNXBMFYSA-N 274.795 3.953 30 20 CHED N#Cc1cc(C(=O)NCC23CCC(CC2)C3)ccc1Cl 543459751 WUTUIAYKISETIB-UHFFFAOYSA-N 288.778 3.522 30 20 CHED CC(C)(C)[C@H](NCC#Cc1ccc(F)cc1)C(F)(F)F 546629077 OIXLZBGMRIHXOT-ZDUSSCGKSA-N 287.300 3.744 30 20 CHED C=CCCCCN[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 548159020 PBEFKEXSDJJJDP-IEBWSBKVSA-N 286.463 3.843 30 20 CHED CCCC[C@H](CC)C(=O)N1CCc2ccc(C#N)cc21 550520153 JUBAHLFTEPLWKX-AWEZNQCLSA-N 270.376 3.664 30 20 CHED COc1ccccc1N(CCC(C)(C)C#N)C(C)C 554973411 SEXXWGVSMLQDLB-UHFFFAOYSA-N 260.381 3.850 30 20 CHED N#Cc1ccc(N[C@H]2C[C@@H]2C(F)F)cc1C(F)(F)F 557727008 ALRXSOOJYVOKBJ-WPRPVWTQSA-N 276.208 3.643 30 20 CHED C=CCC(C)(C)CN[C@@H](C)CCc1ccc(OC)c(O)c1 560561091 DCMHFNBOZIUASP-AWEZNQCLSA-N 291.435 3.914 30 20 CHED C=CCCC(=O)N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 561263953 IKTKZHZVHLELQP-AWEZNQCLSA-N 296.292 3.854 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2Nc2nc(C)ccc2C#N)cc1 561323234 LAGYSTJPCXDOBT-DLBZAZTESA-N 293.370 3.628 30 20 CHED C=CCC(C)(C)CN[C@H](C)[C@@H](OC)c1ccccc1 563825595 CRRLLLGGFZGGNX-GDBMZVCRSA-N 261.409 3.955 30 20 CHED C=CCC1(c2nc(-c3ccc(F)cc3)no2)CCC1 564206032 LPEPTOKAVVJHRU-UHFFFAOYSA-N 258.296 3.874 30 20 CHED N#Cc1nccc(S[C@H]2CCCc3ccccc32)n1 565228530 ISLGBTJDNMXEBH-ZDUSSCGKSA-N 267.357 3.518 30 20 CHED C=CCC[C@H](NC[C@H]1CCCC[C@H]1O)c1ccccc1 566954473 YQQMFYAUKFDDAI-FGTMMUONSA-N 273.420 3.835 30 20 CHED Cc1cc(S[C@H](C)C(=O)NCCC(C)C)ccc1C#N 567861062 IOWAVNKQXQZACD-CYBMUJFWSA-N 290.432 3.510 30 20 CHED CC1(C#N)CCC(Nc2ccc(N3CCCCC3)cn2)CC1 573671852 BOVDZDRPFDWEPQ-UHFFFAOYSA-N 298.434 3.956 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1C#N 575004675 PHSZMJHCUPKJJO-DLBZAZTESA-N 290.366 3.863 30 20 CHED N#Cc1c(Cl)cccc1SCC1(F)CCOCC1 580213847 FPFYOPOFBBMQSL-UHFFFAOYSA-N 285.771 3.822 30 20 CHED C[C@@H](NC(=O)CCCCCC#N)c1ccccc1Cl 588147274 NIKVPJIKBXESQY-GFCCVEGCSA-N 278.783 3.991 30 20 CHED CCC(CC)[C@H]1C[C@@H](NC(=O)CCCCCC#N)CCO1 588163206 DRHMSTGEZPCYHW-JKSUJKDBSA-N 294.439 3.560 30 20 CHED O=C1/C(=C\c2cccs2)COc2c(F)ccc(F)c21 588425590 GQFWDMHZQGKBEA-VURMDHGXSA-N 278.279 3.685 30 20 CHED C=C(C)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 590925876 ZZPZPLHNPBRQTA-OAHLLOKOSA-N 254.377 3.923 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H](C)c2ccco2)cc1 594028512 SXKMEEVMJHPFKY-CJNGLKHVSA-N 296.370 3.669 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)CCC(C)(F)F)cc1 594029438 QTWJWGKDRMSSPP-CQSZACIVSA-N 294.345 3.707 30 20 CHED CC(C)C1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 594304731 ASIXJLMKOCTCCZ-HNNXBMFYSA-N 298.430 3.631 30 20 CHED CC[C@H](COc1cc(C#N)ccc1C)CC(F)F 594890994 GKHJEPUSRGLWCX-NSHDSACASA-N 253.292 3.927 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCCc2ccc(C#N)cc2)o1 594956699 YTKCNNPUCHBRHE-DYVFJYSZSA-N 280.371 3.607 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(OC)cc1 595059464 PBRLBQRFDJVVEB-ZDUSSCGKSA-N 265.422 3.655 30 20 CHED CO[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)C1CCCC1 595093463 BBKJWXNHPCLSJK-OALUTQOASA-N 298.430 3.730 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@H](Oc2cccc(F)c2)C1 595427206 SMGREKGVERQDLH-ZWKOTPCHSA-N 296.345 3.544 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 596629039 BLRHDDDQWJANDS-SNVBAGLBSA-N 295.745 3.637 30 20 CHED CNC(=O)c1ccc(-c2ccccc2C2(C#N)CC2)cc1C 596637698 BBBRYLKTRKWECB-UHFFFAOYSA-N 290.366 3.577 30 20 CHED CN(C[C@@H]1CC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 596641327 UFVNYSYMNNGEGO-NSHDSACASA-N 291.782 3.721 30 20 CHED N#CC1(NC(=O)c2cc3cc(Cl)ccc3s2)CCC1 596948964 PUCFWSZHXZWRBA-UHFFFAOYSA-N 290.775 3.731 30 20 CHED CCCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C(C)C 598816028 PYNCGCXBKGDJHB-LBPRGKRZSA-N 292.345 3.753 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 598823123 BXGPUXPYEJKYQQ-XNJGSVPQSA-N 276.424 3.647 30 20 CHED CCCN(CCc1cccs1)C(=O)C(C#N)(CC)CC 599763329 QLLWJLFRVCMBDT-UHFFFAOYSA-N 292.448 3.859 30 20 CHED Cc1cc(C)c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)s1 601189831 MOIIXXIPNMNMKF-BONVTDFDSA-N 276.405 3.567 30 20 CHED Cc1cnc2c(NC(=O)C(C)(C)C#N)cccc2c1Cl 602361327 PPVJSUWXJCJBKU-UHFFFAOYSA-N 287.750 3.685 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(Cc2cccc(C#N)n2)C1 602477643 KSVXVTUJURIVAM-HOTGVXAUSA-N 291.398 3.640 30 20 CHED COc1ccc(Cl)c(NC[C@@H](C)CCC#N)c1 602497737 WFHABVYIVSWSOU-JTQLQIEISA-N 252.745 3.700 30 20 CHED C[C@H](CCC#N)CNCc1ccc(Oc2ccccc2)nc1 602587152 XHGCUJUADPABBN-OAHLLOKOSA-N 295.386 3.903 30 20 CHED C[C@H](CC#N)NCc1ccc(-c2ccsc2)cc1 602871266 PLYWDXBVUUHVNC-GFCCVEGCSA-N 256.374 3.807 30 20 CHED CCN(Cc1ccc(C#N)cc1C)[C@@H](C)C(F)(F)F 602990181 MHXVJZLASLNKID-NSHDSACASA-N 270.298 3.639 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1ncccc1Cl 603453276 FPLWDNLYRBTLMD-GFCCVEGCSA-N 274.776 3.962 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(C#N)cc1 610023543 JZBFRNHUOGZXFK-RHSMWYFYSA-N 299.418 3.668 30 20 CHED C[C@H](c1cccc(O)c1)N(C)c1cccc(F)c1C#N 610431845 CRKCXXPNMRMFDB-LLVKDONJSA-N 270.307 3.600 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N2CCc3ccc(C#N)cc32)C1(C)C 611139795 UXQZFCBZBHSBSH-WBVHZDCISA-N 294.398 3.686 30 20 CHED CCC[C@@H](Nc1nccc(C)c1C#N)c1ccccn1 612079455 KRXHCBIOELLHAT-OAHLLOKOSA-N 266.348 3.610 30 20 CHED C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@](C)(C#N)C1 612164467 AIVCZGDTAGRTFK-WBMJQRKESA-N 275.396 3.659 30 20 CHED Cc1nc(-c2ccc(NC(=O)CC(C)(C)C#N)cc2)oc1C 618640131 VIRJNEWGSLBYTH-UHFFFAOYSA-N 297.358 3.837 30 20 CHED C=CCC1(NC(=O)[C@H]2CCC(=O)c3ccccc32)CCCC1 619111040 UCMWJAYSOITFKU-INIZCTEOSA-N 297.398 3.752 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 620858374 FKFJUFVRIWOACS-STQMWFEESA-N 293.357 3.929 30 20 CHED C=C1CCN(c2nc(-c3cc(F)cc(F)c3)ns2)CC1 645166535 WHOFMPDUQRWOJW-UHFFFAOYSA-N 293.342 3.640 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3)C1 659019403 VNKHHMPLCZHDPO-AWEZNQCLSA-N 299.418 3.865 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCCC(C)(C)F 661752792 PENWMANQSHSVQN-UHFFFAOYSA-N 292.398 3.565 30 20 CHED C=C(C)CN1CCC2(C=Cc3ccccc3O2)CC1 662211367 GGGGQCDOYNXTFQ-UHFFFAOYSA-N 255.361 3.503 30 20 CHED C=CCC1(C(=O)N2CC[C@H](C3CCC3)C2)CCCC1 665685024 LZDPXZITYIZFKA-HNNXBMFYSA-N 261.409 3.772 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc3[nH]ccc3c2)C1 665922554 QWUOFGQAJZZDAE-CYBMUJFWSA-N 283.375 3.988 30 20 CHED C=C(C)CCc1noc(-c2ccc(CN(CC)CC)o2)n1 671670984 RUUFUIILSSSHMS-UHFFFAOYSA-N 289.379 3.680 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)Cc2cccs2)CC1 675827534 BMBDOXLTXUXWDU-HNNXBMFYSA-N 292.492 3.699 30 20 CHED C=C(C)CCN1CCC(OCc2ccccc2F)CC1 681408161 MPDDZMOBDZMLSI-UHFFFAOYSA-N 277.383 3.773 30 20 CHED CC(C)[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 694341371 VIKBSMUUSBALQC-SECBINFHSA-N 269.801 3.541 30 20 CHED C[C@H](OC(=O)c1cc2ccccc2[nH]1)c1cccc(C#N)c1 727640981 XSSDOOYUUHNHPH-LBPRGKRZSA-N 290.322 3.958 30 20 CHED CCCCCCCCC(=O)NC[C@H](O)C1CCCCC1 727858687 BDYXEMCUTIBSRW-INIZCTEOSA-N 283.456 3.794 30 20 CHED C[C@@H](C=NN=c1cc[nH]c2ccccc12)c1ccccc1 730146728 DNGDLJHCPGKJPM-AWEZNQCLSA-N 275.355 3.858 30 20 CHED C#CCOc1ccc(CNCc2c(C)cc(C)cc2C)cc1 733326173 MDJJQSAEAPMYLX-UHFFFAOYSA-N 293.410 3.914 30 20 CHED C=CC[C@H](NC(=O)N(C)[C@H](C)CCC)c1ccncc1 734683370 LMRWULXJZTVZCB-HIFRSBDPSA-N 275.396 3.529 30 20 CHED C=CC[C@H](C)NC(=O)NCCCCCCC(C)C 735114434 XRYFDRUXYJHTFX-AWEZNQCLSA-N 254.418 3.857 30 20 CHED CCc1nc(C)c(C(C)=NNc2nc3ccccc3[nH]2)s1 735223852 IFFJPTMEEKIPRW-UHFFFAOYSA-N 299.403 3.726 30 20 CHED O=C(/C=C/c1ccc(Br)cc1)c1cncs1 735792876 NCZHZUKRXGCZQA-ZZXKWVIFSA-N 294.173 3.802 30 20 CHED CCC(COC)=NNc1ccc(Br)c(C)c1 735971941 DGNPNAGMEMPRPQ-UHFFFAOYSA-N 285.185 3.582 30 20 CHED C=CCCN(C)[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 736102774 YFOPXEIWCPAYOJ-GFCCVEGCSA-N 288.174 3.627 30 20 CHED Cc1cc(-c2ccccc2)ccc1NC(=O)[C@@H](C)C#N 736668887 KEPMERHMFKJBGM-ZDUSSCGKSA-N 264.328 3.760 30 20 CHED C=C(Br)COC(=O)[C@@H](C)c1cccc(C)c1 740349823 RUKLVMGVGYSDOH-NSHDSACASA-N 283.165 3.550 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@@H](C)CCC 741636566 OCAIPOVCAQIUEK-LBPRGKRZSA-N 277.339 3.603 30 20 CHED C#CCCCNC(=O)Nc1cccc(OCCC(C)C)c1 743126038 SBSBXYFTEOLUCG-UHFFFAOYSA-N 288.391 3.646 30 20 CHED C=C(C)COC(=O)[C@@H](C)c1ccccc1C(F)(F)F 744041019 YJYDVJBYGUPVBQ-JTQLQIEISA-N 272.266 3.928 30 20 CHED CC#CCOC(=O)c1oc2c(C)ccc(C)c2c1C 744856149 GQOLHZPZKVRNIB-UHFFFAOYSA-N 256.301 3.538 30 20 CHED CCc1ccc(C=NNc2oc(CC(C)C)nc2C#N)cc1 745613536 HCWNQWBIQROONQ-UHFFFAOYSA-N 296.374 3.753 30 20 CHED N#Cc1csc(/C=C2/Oc3c(Cl)cccc3C2=O)c1 748440077 FWWOQTMMNMPOSE-LFYBBSHMSA-N 287.727 3.889 30 20 CHED C=CCN(C(=O)c1ccc(N(CC)C(C)C)cc1)C(C)C 748618200 QJYXEUGEDTVXET-UHFFFAOYSA-N 288.435 3.958 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(C#N)s2)c1 748779823 DNDPYPOGAPGANL-UHFFFAOYSA-N 255.346 3.683 30 20 CHED CC[C@H](CC(=O)OCCCCC#N)c1ccc(OC)cc1 751814476 YVZCXMJITUCRCQ-CQSZACIVSA-N 289.375 3.816 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H]1CC[C@H](C(C)C)CC1 753070633 ZBUYDXFYDVTRHK-WKILWMFISA-N 278.440 3.847 30 20 CHED C#C[C@H](CC)NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 753266217 ZPJJFMJAWNDJFD-MAUKXSAKSA-N 298.430 3.971 30 20 CHED CC(=NNc1ncc(F)cn1)c1cc2ccc(C)cc2o1 754960155 BNHZBAYYPQJQOJ-UHFFFAOYSA-N 284.294 3.506 30 20 CHED Clc1ccc2c(c1)CCC2=NO[C@H]1CCCCO1 755815174 OYVSJSBLTYVFDU-AWEZNQCLSA-N 265.740 3.534 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccoc1 755894266 XJUGRNYQXFIPDC-UHFFFAOYSA-N 254.211 3.533 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)SCCCC)c1ccccc1 757576590 DTODONWOSIUQOF-GOEBONIOSA-N 289.444 3.789 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)COc1ccc(C)cc1 758463285 CZRUTPFEEXGRLY-HNNXBMFYSA-N 287.403 3.647 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccc(F)c(F)c1 759074698 HOTIEFOTIQVWJP-ARJAWSKDSA-N 285.702 3.971 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C=C1CCCCC1 759608166 AGVKXHAKWFCNJQ-UHFFFAOYSA-N 283.375 3.819 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)[C@H]1CCOC1 763177973 AYTAFKFTLXFWTM-VIFPVBQESA-N 273.163 3.818 30 20 CHED C=C(C)CCOC(=O)c1ccc2nc(C)sc2c1 764014609 HFOFZISPDZOXDH-UHFFFAOYSA-N 261.346 3.728 30 20 CHED CC(CCc1ccsc1)=NNc1ccccc1C(=O)O 764900940 RCIUEVAAEUUKBK-UHFFFAOYSA-N 288.372 3.867 30 20 CHED C#C[C@H](C)N(C)C(=O)/C=C(/CC)c1cccc(Cl)c1 767263376 LBVDPJLWTOYSEM-KLDSGFLGSA-N 275.779 3.614 30 20 CHED C#CCCCCCC(=O)N([C@H](C)CC)[C@H](C)CC 767514096 IDLRYVIGHQKQIW-HUUCEWRRSA-N 251.414 3.996 30 20 CHED C=CCCCCCN(C)Cc1c(O)cccc1OC 769447038 SCLWMDXWSJKXPZ-UHFFFAOYSA-N 263.381 3.579 30 20 CHED O=C1c2ccccc2CCN1N=CC1CCCCCC1 769598141 TXUXVTKTMGHEIN-UHFFFAOYSA-N 270.376 3.641 30 20 CHED N#Cc1cc(/C=C2\Oc3c(Cl)cccc3C2=O)ccc1F 770573864 VSBBVBOWMVFLIY-AUWJEWJLSA-N 299.688 3.967 30 20 CHED C#CCSCCN[C@@H](C)c1ccc(-c2ccccc2)o1 773011882 YFUUFMNZGJOPKS-AWEZNQCLSA-N 285.412 3.964 30 20 CHED C[C@@H]1CC(=NNc2nc(-c3ccccc3)cs2)CCO1 773188211 CSMZYBFATHFLFR-LLVKDONJSA-N 287.388 3.777 30 20 CHED CC(C[C@H](C)NC(=O)OC(C)(C)C)=NOC1CCCC1 774608147 PDJJTOCMPPPOHU-NSHDSACASA-N 284.400 3.625 30 20 CHED C#Cc1cccc(N(CC)Cc2cccc(C#N)c2F)c1 774683483 JBUZBQGSMSYOHZ-UHFFFAOYSA-N 278.330 3.705 30 20 CHED C=CC[C@@H]1N(Cc2cccc(OC)c2O)CCCC1(C)C 775179269 MJEZJKREFQXBEA-INIZCTEOSA-N 289.419 3.968 30 20 CHED C#Cc1ccc(C(=O)N(CC(C)(C)C)CC(C)(C)C)nc1 775201166 AZOCUNPGNSPFHD-UHFFFAOYSA-N 286.419 3.597 30 20 CHED C#CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 775404083 LVFVJWXIXYVPJR-KRWDZBQOSA-N 298.317 3.588 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H](C)c1ccsc1 775940325 FKORZNIYEPNHQC-GFCCVEGCSA-N 285.368 3.502 30 20 CHED C=C(C)CNC(=S)Nc1cc(SC)ccc1C 776196925 BCCSCDVGEPZLDW-UHFFFAOYSA-N 266.435 3.579 30 20 CHED Cn1cc(C(=O)O[C@H](C#N)C2CCCCC2)c2ccccc21 776368689 AVZQZIRHXNDDNA-QGZVFWFLSA-N 296.370 3.808 30 20 CHED Cc1cc(C=NNc2cc(Cl)ccn2)c(C)n1C1CC1 777907636 YFBTTYPPWYDBAA-UHFFFAOYSA-N 288.782 3.934 30 20 CHED COc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1F 779459646 FLWICWCMXNZGPD-DUXPYHPUSA-N 291.709 3.779 30 20 CHED C#CCCCCCC(=O)Nc1cccc(SC)c1 779703463 HNOUMEUHUSAHSM-UHFFFAOYSA-N 261.390 3.931 30 20 CHED C#CCCCCCC(=O)N(Cc1ccc(F)cc1)C1CC1 779753893 MBOJGNPIZLRDJD-UHFFFAOYSA-N 287.378 3.900 30 20 CHED Cn1cccc1C=NNc1ccc(C(C)(C)C)cc1 779824958 KVSBMZJWGQWSSH-UHFFFAOYSA-N 255.365 3.769 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C(C)=C(\C)CC 779878926 GZMYRHWBFAVZJT-BUHFOSPRSA-N 273.351 3.534 30 20 CHED N#Cc1ccccc1Cn1cccc1C=NOC1CCCC1 780236947 QBDAGOGHIRQCSR-UHFFFAOYSA-N 293.370 3.701 30 20 CHED C#CCCCCCC(=O)OCC(=O)c1ccc(Cl)s1 780256466 SHNFMAREQZDYQZ-UHFFFAOYSA-N 298.791 3.711 30 20 CHED C#CCCCCCC(=O)[C@@H](C#N)c1nc2ccccc2o1 780318964 KITMYFHQOQUYRD-CYBMUJFWSA-N 280.327 3.588 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 781187006 LYCAWZUIXNUFDQ-KBPBESRZSA-N 288.391 3.910 30 20 CHED CCCCC[C@](C)(CC)C(=O)NCc1ccc(C#N)cn1 782034595 FSSHJAKIIMHRAJ-KRWDZBQOSA-N 287.407 3.566 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ncccc1Cl 783832488 JSKXBLKXYROYOI-WDEREUQCSA-N 251.761 3.959 30 20 CHED N#Cc1ccc(NN=Cc2ccc(F)cc2)cc1Cl 783878605 YBMHFEWEOPXUTK-UHFFFAOYSA-N 273.698 3.797 30 20 CHED CC(C)[C@H](F)C(=O)Nc1sc2c(c1C#N)CCCCC2 784014254 GCJJZOUONLCNCO-ZDUSSCGKSA-N 294.395 3.821 30 20 CHED N#Cc1c(F)cccc1SCC(=O)OC1CCCCC1 784627379 AUUZEHIZOMDIFN-UHFFFAOYSA-N 293.363 3.665 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc(C2CCC2)cc1 784684513 LCQRLUHMLIRYHD-UHFFFAOYSA-N 294.314 3.873 30 20 CHED Cc1cc(Cl)ccc1C=NNC1CCCCC1 786042529 YIUJVHQBIQOLSL-UHFFFAOYSA-N 250.773 3.905 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)CCCCC 786838503 QMLFXIULGPNLCE-KGLIPLIRSA-N 252.402 3.705 30 20 CHED CCCCCCCCCNC(=O)C1CCN(C2CC2)CC1 786868750 KVHLNYORSFPQBH-UHFFFAOYSA-N 294.483 3.728 30 20 CHED CC(=NNc1ncncc1Cl)c1csc(Cl)c1 787163142 SYXLTMZTFZZTIV-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C#CCn1ccc(CN(CC)C[C@@H](CC)c2ccccc2)n1 789757511 ACOFWWYDUQSGJR-QGZVFWFLSA-N 295.430 3.532 30 20 CHED CC[C@H](C)NN=C(C)c1ccc(SC)c(OC)c1 790184005 XLUFADABMLNZEZ-JTQLQIEISA-N 266.410 3.529 30 20 CHED C=C1CCN(C(=O)c2ccccc2CC(C)C)CC1 790590965 OAFURCCBPWUUJL-UHFFFAOYSA-N 257.377 3.677 30 20 CHED C#CCCCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 791641554 XTLGGTDIMRHPIZ-HNNXBMFYSA-N 295.382 3.527 30 20 CHED CC(C)[C@@H]1CCCCC1=NNCCC(F)(F)F 794547970 NZEBCMWKURFOHS-JTQLQIEISA-N 250.308 3.731 30 20 CHED N#Cc1ccc(/C=C2/CCc3ccc(O)cc3C2=O)s1 794960207 OHCDPHQBJHLVDS-XFFZJAGNSA-N 281.336 3.538 30 20 CHED CCn1cc(C=NNc2ncccc2F)c2ccccc21 794985093 PUYCAQDGNYXEMG-UHFFFAOYSA-N 282.322 3.641 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CC2(CCC2)C1 797404472 OLQKCRADDIUICQ-UHFFFAOYSA-N 278.787 3.985 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C[C@@H]1C[C@H]2C=C[C@H]1C2 797405052 VFQKMOICEHCYQL-SRVKXCTJSA-N 290.798 3.863 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1C#N 799351726 GLGXABQRTPXMTR-UHFFFAOYSA-N 295.729 3.644 30 20 CHED Cc1ccc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1C#N 799559495 CYWCAJGVMZAUDW-APWZRJJASA-N 296.414 3.908 30 20 CHED N#Cc1cc(N[C@H]2CC[C@H](C#N)C2)ccc1OC(F)(F)F 799739181 RLJPEPUAHGZYMQ-ONGXEEELSA-N 295.264 3.561 30 20 CHED CC(COC(C)C)=NNc1ccc(C#N)c(C(F)(F)F)c1 799878069 KQNSECHMNTXDAQ-UHFFFAOYSA-N 299.296 3.790 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)c(C)o2)cc1 799897178 MZWGCGKBZOEJCI-TWGQIWQCSA-N 256.301 3.801 30 20 CHED Cc1cc(COC(=O)[C@H]2CCCC(F)(F)C2)ccc1C#N 800278693 ALTWSQJHUFHWBV-ZDUSSCGKSA-N 293.313 3.735 30 20 CHED CCN(CCO[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 801915693 MDRHXUNHIUZNKL-KGLIPLIRSA-N 286.375 3.744 30 20 CHED CCCCCc1ccc(OCCO[C@H](C)C#N)cc1 802726799 PYLNIHSWAGFRFV-CQSZACIVSA-N 261.365 3.727 30 20 CHED Cc1cc(C#N)cc(NCc2cc(C)sc2C)n1 804500415 MVRHBUVPFFWJKC-UHFFFAOYSA-N 257.362 3.552 30 20 CHED C#Cc1cncc(C(=O)Nc2ccc(CC)c(Cl)c2)c1 804648547 GZLFSSHKGBOOAR-UHFFFAOYSA-N 284.746 3.531 30 20 CHED Cc1cccc2cc(C(=O)OCCCSCC#N)oc12 805431144 ZEMWFSRNUNPZRV-UHFFFAOYSA-N 289.356 3.545 30 20 CHED CC(C)(C)c1ccccc1C(=O)OCCCSCC#N 805508096 DUQSHWJHUCLVKD-UHFFFAOYSA-N 291.416 3.788 30 20 CHED C=CCCCCCCNC(=O)N1C[C@H](C)S[C@H](C)C1 806003292 BSSCJZJFLACEHO-OKILXGFUSA-N 284.469 3.658 30 20 CHED C=C(CNC(=O)C(F)(F)c1ccccc1)c1ccccc1 807797986 NWJWZSQKDGMMIJ-UHFFFAOYSA-N 287.309 3.608 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccccc1 807991120 GIALZSGNBZGICR-UHFFFAOYSA-N 266.348 3.580 30 20 CHED C[C@@H]1/C(=C\c2cccc(C#N)c2)C(=O)c2ccccc21 809158922 FSGDDPRANBMYCY-VAKHEIKFSA-N 259.308 3.942 30 20 CHED C#Cc1ccc(CNCC(C)(C)c2cccs2)cc1 809620291 NWVPHFCTNPGZMG-UHFFFAOYSA-N 269.413 3.797 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C)sn1 810765478 AVQOTVLJPOVPNS-UHFFFAOYSA-N 266.410 3.708 30 20 CHED C=CCCCCOC(=O)[C@H]1CCc2ccc(OC)cc21 811011651 GUOLOYFOOXACMZ-HNNXBMFYSA-N 274.360 3.625 30 20 CHED Fc1ccc(C(C[C@H]2CCCO2)=NNC2CCCC2)cc1 811640880 DMYABXXFRAVJPB-MRXNPFEDSA-N 290.382 3.631 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1ccc2[nH]ccc2c1 811649462 NMIFJPBULHTUNZ-UHFFFAOYSA-N 298.277 3.661 30 20 CHED C=CCCC(CC)=NN[C@H](C)COc1ccccc1 811665270 NAZVETWQFBETDZ-CQSZACIVSA-N 260.381 3.776 30 20 CHED CC(=NN[C@@H](C)COc1ccccc1)c1ccsc1 811666226 AVUNJBWPGYHZSX-LBPRGKRZSA-N 274.389 3.529 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1ccco1)c1ccc(Cl)cc1 811948129 YOYVIOIMWJDAPV-FZMZJTMJSA-N 287.746 3.527 30 20 CHED CC(C)OCCON=CCCc1c(F)cccc1Cl 812240601 WHXPQAMLEDJIIS-UHFFFAOYSA-N 287.762 3.839 30 20 CHED C=CCC(C)(C)C(=O)NC1CCC(N2CCCCC2)CC1 814120097 RLGPAMSTIOMKDR-UHFFFAOYSA-N 292.467 3.502 30 20 CHED Cn1cc(C=NOCC2CC2)c(-c2cc3ccccc3o2)n1 814245290 WCUXLGUALDPASZ-UHFFFAOYSA-N 295.342 3.594 30 20 CHED c1cc(CCNN=C2CCCCC23CCCC3)ccn1 814924557 RNTBYUCHSHJMAC-UHFFFAOYSA-N 271.408 3.704 30 20 CHED C#CCCCCC(=O)N1CC[C@H](c2ccccc2)C1(C)C 817505930 DNWPNAYXIOONCX-QGZVFWFLSA-N 283.415 3.975 30 20 CHED C[C@H](NN=CC1CCC(C)(C)CC1)c1ccncc1 819816851 QMIIYIJXJHNMHK-ZDUSSCGKSA-N 259.397 3.934 30 20 CHED CO[C@H](C=NNc1cc(Cl)nc(Cl)c1)CC(C)C 819828454 DPYXSIMBHJTKOM-JTQLQIEISA-N 290.194 3.847 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CC[C@H](O)c1ccccc1 823617697 KUVSTKNAZBXSFY-BEFAXECRSA-N 294.398 3.675 30 20 CHED Cc1c(NC(=O)C#CC(C)C)cccc1OCC(F)(F)F 825749904 XNYATDHTIBQBQQ-UHFFFAOYSA-N 299.292 3.534 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@@H](C)CCCC)cc1 832264453 ATWHKNSLNBVLEH-HNNXBMFYSA-N 287.403 3.739 30 20 CHED O=C(O)C1(C/N=C\c2c(O)ccc3ccccc23)CCCC1 833174512 QYOKNCUJYRUKET-ODLFYWEKSA-N 297.354 3.609 30 20 CHED C=CCC1(C(=O)N(OC)[C@@H](C)c2csc(C)n2)CCC1 833743629 JOTNGKOUOIQMDQ-NSHDSACASA-N 294.420 3.649 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)c1sc(CC)nc1C 835177292 GDYINLHYAWNWRU-JTQLQIEISA-N 267.394 3.830 30 20 CHED C#CCCCCCC(=O)OCc1ccc(C)c([N+](=O)[O-])c1 835480340 MLXLHTUWKBARFI-UHFFFAOYSA-N 289.331 3.530 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CCC)C1CCCC1 838327336 HJZRYKYJLWVAQM-LBPRGKRZSA-N 259.340 3.673 30 20 CHED CC1(C)CC(=NNc2ccc(C#N)cc2C(F)(F)F)CO1 841636282 JNSCQYGDXLWIPL-UHFFFAOYSA-N 297.280 3.544 30 20 CHED CCCCCCCCN1CCC([C@@H]2C[C@H](N)CCO2)CC1 842478268 GMACBQVBRHAEQU-MSOLQXFVSA-N 296.499 3.565 30 20 CHED CCN(CCO)N=C1CCC[C@@H](c2ccc(Cl)cc2)C1 842537603 CMCHATWZYQEYPU-CQSZACIVSA-N 294.826 3.668 30 20 CHED CCCON=Cc1csc(-c2cccc(OC)c2)n1 842565941 QQEDZRLEQLFORH-UHFFFAOYSA-N 276.361 3.579 30 20 CHED C#CC1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 843708518 QZBPMVRWFKYNTE-UHFFFAOYSA-N 297.442 3.789 30 20 CHED C=CCOCCCOC(=O)[C@H](C)c1ccc(Cl)cc1 845333104 AHIHVELEKJLVFQ-GFCCVEGCSA-N 282.767 3.579 30 20 CHED CCCCCCCC[S@@](=O)Cc1cc(C)nc(C)n1 849223029 HCIMJGRWIPVCEU-LJQANCHMSA-N 282.453 3.703 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](F)c1ccccc1 851207177 UJJPSAANLJCZSE-DGCLKSJQSA-N 263.312 3.569 30 20 CHED N#CC1(COC(=O)c2ccsc2Cl)CCCC1 853115001 SXUOSHXJIWVDMU-UHFFFAOYSA-N 269.753 3.642 30 20 CHED O=C(O)c1cc(NN=CC2CCSCC2)ccc1Cl 853258255 MEUQHLSOZALMST-UHFFFAOYSA-N 298.795 3.579 30 20 CHED Fc1cc(NN=C[C@@H]2CCC[C@H](C(F)(F)F)C2)ccn1 853331872 JDPWLOBKLVKQGD-ZJUUUORDSA-N 289.276 3.987 30 20 CHED CC1(C)C[C@@H](NN=C2CCC(=C3CCC3)CC2)CCO1 853335951 LAROCFQUHBKRIX-INIZCTEOSA-N 276.424 3.944 30 20 CHED Clc1cc(NN=Cc2scnc2C2CC2)ccn1 853395303 SHWDTTKXQMPYGA-UHFFFAOYSA-N 278.768 3.515 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 853783972 SNKQLZLHXGMWNJ-NSHDSACASA-N 297.807 3.702 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2nc(Cl)sc2C)C1 855436781 KNEWJAQCIIMTQA-SNVBAGLBSA-N 284.812 3.533 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1cccc(Cl)n1 857627478 BIGDMUBBGRQUMR-UHFFFAOYSA-N 291.782 3.562 30 20 CHED C#C[C@@H](OC(=O)c1cn(C(C)C)nc1C)c1ccc(C)cc1 860960984 FFFGWACCJMDRNU-QGZVFWFLSA-N 296.370 3.612 30 20 CHED C#C[C@@H](OC(=O)c1cnn(C(C)C)c1C)c1ccc(C)cc1 860963899 GBBPPEOTVDQFFP-QGZVFWFLSA-N 296.370 3.612 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C/c2ccn(C)n2)cc1 863197684 VRPFBPFNQIXJMN-WTNCMQEWSA-N 268.360 3.830 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(F)c(C=O)c1 869785958 LYQPGQDVNCMTAW-UHFFFAOYSA-N 291.322 3.515 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl 876552169 LQMVNYUTFLJPTP-NSHDSACASA-N 295.770 3.620 30 20 CHED C#CCCCCCCNCc1csc([C@H](C)OC)n1 877074178 BFKAJSBJVHVXGD-ZDUSSCGKSA-N 280.437 3.524 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc([C@]2(C)COC(=O)N2)c1 883328315 PIPGADUBAONENP-DCGLDWPTSA-N 288.391 3.654 30 20 CHED C=C1CCC(C(=O)N[C@H](C)Cc2cccs2)CC1 888129857 JZDNQJBJWCKRTH-GFCCVEGCSA-N 263.406 3.542 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc(NC2CC2)s1 900796095 VCTKRMRCTWQBPV-UHFFFAOYSA-N 293.436 3.536 30 20 CHED C#CC[C@@H](NC(=O)/C(F)=C(\C)C1CC1)c1ccccc1 901218901 OMOORUMCIVUCMC-WMJYUBJYSA-N 271.335 3.521 30 20 CHED COc1cc([C@H](C)NCC2(C#N)CCC2)ccc1SC 903031585 MGPFSAGOZGXPQA-LBPRGKRZSA-N 290.432 3.762 30 20 CHED C=C(C)CCc1noc([C@H]2CC(c3ccccc3C)=NO2)n1 903694898 JEYCPHHSOVYGAM-OAHLLOKOSA-N 297.358 3.752 30 20 CHED Cc1cc(NN=C2C[C@H](C)n3ccnc32)ccc1Cl 905507973 AQTHQGPJABENPT-JTQLQIEISA-N 274.755 3.626 30 20 CHED CON=Cc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 912711338 ISAMXESTVQTFAL-UHFFFAOYSA-N 282.343 3.536 30 20 CHED CCCC(=NNc1cnccn1)c1ccc(Cl)cc1 912961275 FOXKOOTZHKJOTK-UHFFFAOYSA-N 274.755 3.746 30 20 CHED CC(=NNc1nncc2ccccc12)c1ccccc1C 915909658 NYZOJTPFWOLJPE-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CCCNN=C(CC)c1ccc(Br)cc1 915966210 ZGQRNOYZRGXWBI-UHFFFAOYSA-N 269.186 3.563 30 20 CHED CC(C)Oc1ccccc1C=NNc1ccccc1 916245860 GNUSRHPPDOXTAP-UHFFFAOYSA-N 254.333 3.920 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cc(C)no1 917872559 MKAVGPMNDDLFSS-LBPRGKRZSA-N 266.385 3.709 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1c[nH]nc1C(C)(C)C 920066118 RBUTUJXQGNSQEI-VQHVLOKHSA-N 298.386 3.920 30 20 CHED Oc1cccc(C=Nc2ccc(Cl)cc2F)c1O 920942489 FVMMEYGDXRMDNR-UHFFFAOYSA-N 265.671 3.641 30 20 CHED CCCC[C@H](CC)CNC=C1C(=O)CC(CC)CC1=O 920976140 HKGVIERHAHCZNA-LSLKUGRBSA-N 279.424 3.635 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(CCC)cc1 921218426 ILTBPUFNTCZCSM-CQSZACIVSA-N 276.376 3.664 30 20 CHED CC[C@H](NCc1ccccc1C#N)c1cc(F)ccc1OC 922624397 ZMAULJLZYGXYEF-KRWDZBQOSA-N 298.361 3.947 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(N2CCCCC2)nc1 926099742 KWVFOWZHBXSCBF-CQSZACIVSA-N 286.423 3.812 30 20 CHED C=C1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 929330172 HNXVPVZEUAKLCT-UHFFFAOYSA-N 299.399 3.994 30 20 CHED CC(C)(C)OC(=O)C(C)(C)NCCCCC1(C#N)CCC1 931267109 PZTSYIJLOCPPOB-UHFFFAOYSA-N 294.439 3.560 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](CCC)c1ccccn1 931982603 QXTZNARDMSGLTI-HIFRSBDPSA-N 260.381 3.641 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1ccc(O)c(F)c1 1116139321 HWZIFYRFPXKEQY-VMPITWQZSA-N 282.314 3.916 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(F)cc1F 1116632984 JEPPROLIPFXOLM-MGPLVRAMSA-N 294.345 3.513 30 20 CHED Cn1ccc(NN=C2CC=C(c3ccc(F)cc3)CC2)n1 1116759685 KLRIILXGNQSBGG-UHFFFAOYSA-N 284.338 3.595 30 20 CHED N#Cc1ccc(-c2nnc(-c3cccc4cccnc34)o2)cc1 1117202174 DAPXGKOGLJQLKY-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CCN(CCNc1nccc(C)c1C#N)c1ccccc1C 1184874987 ZLXIWBQBCZRXEH-UHFFFAOYSA-N 294.402 3.509 30 20 CHED C=C(C)CCC(=O)N[C@H](c1cccc(C)c1)c1ccccn1 1262616533 RQTGKUSOGOQPPL-LJQANCHMSA-N 294.398 3.952 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC2CCC1CC2 1293065027 XLXIGHKLBAFCOC-OFLPRAFFSA-N 290.451 3.991 30 20 CHED CCSc1ccccc1CCNc1ccc(C#N)cn1 1307204213 KBQRNKATEXZKEQ-UHFFFAOYSA-N 283.400 3.720 30 20 CHED N#Cc1cccc(COc2ccc(F)c3cccnc23)c1 1307366754 LXODQQJNARGXHK-UHFFFAOYSA-N 278.286 3.825 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 1310871500 AKKQWIOATPBZSH-AWEZNQCLSA-N 285.391 3.911 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)n1cccc1 1321193333 KWVHFJVABIDCJA-INIZCTEOSA-N 282.387 3.654 30 20 CHED CC(C)CCO[C@H](C)c1nnc(-c2cccc(C#N)c2)o1 1322343401 SMGWRZMDLPQHGH-GFCCVEGCSA-N 285.347 3.732 30 20 CHED CCCc1ccc(COC(=O)c2ccc(C#N)c(C)n2)cc1 1324282918 QCOHDWBTNRTZAU-UHFFFAOYSA-N 294.354 3.571 30 20 CHED C#CC[C@@H](NCc1cccn1C1CC1)c1ccccc1 1324660572 QBPXXEYMPHKBQE-GOSISDBHSA-N 264.372 3.677 30 20 CHED C[C@@H]1CCc2sc(-c3nnc(C(C)(C)C#N)o3)cc2C1 1326252671 SDEKRKYEMIMRDU-SECBINFHSA-N 287.388 3.724 30 20 CHED C(=NOCc1cnc(-c2ccccc2)s1)C1CC1 1328574518 SGEIMPDYGXADJF-UHFFFAOYSA-N 258.346 3.723 30 20 CHED CC(C)CN(C(=O)CC#Cc1ccccc1)C1CCCC1 1332930218 ZRTZOWSJHBUHRU-UHFFFAOYSA-N 283.415 3.855 30 20 CHED Cc1cc(-c2nnc(CC(C)(C)C#N)o2)c2ccccc2n1 1333096438 VLWNSGAQIVPUJM-UHFFFAOYSA-N 292.342 3.686 30 20 CHED C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cccc(CC#N)n1 1342844894 ZBMJNPRVOVIEFH-ZFWWWQNUSA-N 295.361 3.669 30 20 CHED N#CC[C@@H](OC(=O)C[C@H]1C=CCCC1)c1ccco1 1346706903 OCCBYWLBSYYFDE-GXTWGEPZSA-N 259.305 3.524 30 20 CHED C=C[C@@H](CC)OC(=O)c1oc(C2CC2)nc1C(F)F 1347829053 TVZUXKQGCAXRSA-QMMMGPOBSA-N 271.263 3.611 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@@H](C#N)Cc1ccc(F)cc1F 1347944944 LCBNJNLXMAQSMJ-SMDDNHRTSA-N 293.313 3.545 30 20 CHED CCN(C(=O)C[C@@H](CC#N)c1ccccc1)C(C)(C)C 1348432734 OIYMGBRCLJAJFR-OAHLLOKOSA-N 272.392 3.721 30 20 CHED C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)c1ccccc1 1349353783 ZVSRSZJGFGYGBN-RHSMWYFYSA-N 278.355 3.561 30 20 CHED CCc1cccc(NC(=O)c2cc(C#N)ccc2F)c1 1352908026 WAXBUTMDOCFLJU-UHFFFAOYSA-N 268.291 3.512 30 20 CHED CC1(C)CCC(C(=O)OCc2cc(C#N)ccc2F)CC1 1355242220 WBVAXSLZDOXARZ-UHFFFAOYSA-N 289.350 3.957 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2ccc(C)c(C#N)c2)c1 1357468059 XLGPZQRFKIXWMB-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1C 1358222734 NNXOIDGICQUOIF-VWPFQQQWSA-N 275.392 3.828 30 20 CHED Cc1cc(NC(=O)c2csc(C#N)c2)c(Cl)cc1F 1459946984 ROXDXKSFGCGKJT-UHFFFAOYSA-N 294.738 3.973 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCCCC23CCCC3)nc1 1467102054 PGQXJODZIISJCN-AWEZNQCLSA-N 298.390 3.578 30 20 CHED CO[C@@H](CSc1nc(C)cc(C)c1C#N)CC(C)C 1472918924 SZUCDWKKDGDDDM-CYBMUJFWSA-N 278.421 3.723 30 20 CHED C=C[C@H](C(=O)N1CCC[C@H]1c1ccccn1)c1ccccc1 1519021014 PZIQDKLRYHDWSQ-WMZOPIPTSA-N 292.382 3.715 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1ccc(OC)cc1 1520753530 OTWKISPQMHNPHS-QGZVFWFLSA-N 287.403 3.961 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@H](C)C1CCCCCC1 1521925651 TUPYCFNWINODOF-CQSZACIVSA-N 284.403 3.955 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1 1522031803 GHQHAVQZUGAERN-UKRRQHHQSA-N 256.349 3.713 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)c1ccco1 1525260341 LDZDKKBPCYZEHQ-UHFFFAOYSA-N 262.268 3.557 30 20 CHED CSCc1ccc(C(=O)Nc2cc(C)cc(C#N)c2)cc1 1525306061 VMWNFAYWLQSIBN-UHFFFAOYSA-N 296.395 3.982 30 20 CHED N#C[C@H](C(=O)C[C@@H]1C=CCC1)c1nc2cccc(Cl)c2[nH]1 1526620157 HNYCUMCIGLTYQM-GHMZBOCLSA-N 299.761 3.749 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1532511478 NMGRFADAIALVDI-KOLCDFICSA-N 278.302 3.601 30 20 CHED C=C(Cl)CNC(=O)c1ccccc1NC1CCCCC1 1544096338 LRIGQMXCUVXPSF-UHFFFAOYSA-N 292.810 3.914 30 20 CHED COc1ccc(NC(=O)c2ccc(SC)cc2)cc1C#N 1544955278 GMXOVMXMLUYFTL-UHFFFAOYSA-N 298.367 3.541 30 20 CHED C=C(Br)CN1c2ccccc2N(C)CC[C@H]1C 1559600981 NRCPDKDBOACTSC-GFCCVEGCSA-N 295.224 3.630 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(C#N)c1 1595726544 MJTXTPBGHVCMNM-GXTWGEPZSA-N 288.366 3.644 30 20 CHED N#CCCc1ccc(NC2CCC(CC(=O)O)CC2)cc1 1601068645 KNSQCUBXKZFECM-UHFFFAOYSA-N 286.375 3.588 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1Cc1cc(C#N)ccn1 1618195381 AYMOMLYSFXZOAX-SPYBWZPUSA-N 291.398 3.720 30 20 CHED Cc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)c(C)c1O 1631311378 PMLMLHVLVSZTFF-HNNXBMFYSA-N 294.354 3.645 30 20 CHED Cc1ccccc1C(C)(C)CNc1ccc(C#N)c(C)n1 1650713273 HJMALTJJMGQNGA-UHFFFAOYSA-N 279.387 3.960 30 20 CHED CC[C@H](Cc1ccc(F)cc1)Nc1ccc(C#N)c(C)n1 1651232570 MWJXLTBNBOXYIN-MRXNPFEDSA-N 283.350 3.834 30 20 CHED Cc1cccc(C)c1CNc1nc(C#N)c(Cl)s1 1651673528 NOKXGOFCCUHAML-UHFFFAOYSA-N 277.780 3.897 30 20 CHED CC[C@H](Nc1ccc(C#N)c(C)n1)c1cc(F)ccc1OC 1652249617 HKPSSJPTSLKZTE-HNNXBMFYSA-N 299.349 3.973 30 20 CHED Cc1nc(C#N)cc(NC(C2CCCC2)C2CCCC2)n1 1652255449 UCYFHODNANEYMW-UHFFFAOYSA-N 284.407 3.818 30 20 CHED CCN(Cc1ccc(OC)c(C(C)(C)C)c1)C[C@@H](C)C#N 1663929296 JFDMZPGZSRECRR-AWEZNQCLSA-N 288.435 3.974 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 1672775245 HSNVMFHFUFXVRI-CQSZACIVSA-N 285.391 3.911 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1cc(C)cc(F)c1 1776013514 CIZHXLFHNSXYBG-UHFFFAOYSA-N 286.306 3.668 30 20 CHED Cc1cccc(NN=Cc2c[nH]c3c(C(=O)O)cccc23)c1 1776033148 DWBKOYKYLALBNQ-UHFFFAOYSA-N 293.326 3.621 30 20 CHED O=C(O)Cc1ccc(NN=C2CC(c3ccccc3)C2)cc1 1776085181 TWGDCWAULXSGCH-UHFFFAOYSA-N 294.354 3.659 30 20 CHED CN(C(=O)c1cc2ccccc2o1)c1cccc(C#N)c1 59095648 OJFGLGNSTBGMPN-UHFFFAOYSA-N 276.295 3.581 30 20 CHED Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cccc(C#N)c1 104773002 KZRZZSPXVIQDAJ-KRWDZBQOSA-N 291.354 3.676 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3c(Cl)cccc32)o1 174318953 UEEZTJPYIRHDRY-OAHLLOKOSA-N 272.735 3.582 30 20 CHED CCCC[C@H](C)N(C)c1ncc(Br)cc1C#N 310186399 YOIXASJQZWHFIE-JTQLQIEISA-N 296.212 3.731 30 20 CHED CCC[C@H](CC)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 171321713 OVAMOSAJBSQKQZ-INIZCTEOSA-N 299.418 3.811 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CC12CC3CC(CC(C3)C1)C2 108912677 FCPLTPXFDBLEGL-ZZFFKQLHSA-N 288.435 3.601 30 20 CHED C=CCCCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 175262861 CPGWPPSUJAFURL-AWEZNQCLSA-N 298.386 3.890 30 20 CHED C=CC[C@@H](C)NC(=O)CSCc1cccc(Cl)c1 116862225 CNSWWNZBQOXSKQ-LLVKDONJSA-N 283.824 3.654 30 20 CHED N#Cc1cccc(OC2CCN([C@H]3C=CCCC3)CC2)c1 171743326 YZTTUZOLXFYNNX-INIZCTEOSA-N 282.387 3.510 30 20 CHED O=C1/C(=C\c2cncs2)CCc2[nH]c3ccc(F)cc3c21 178322615 ZAYICRAUDRAYMO-UITAMQMPSA-N 298.342 3.976 30 20 CHED N#CCC1(COC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 174734932 ROBJCWIOIPYOLE-UONOGXRCSA-N 289.762 3.681 30 20 CHED N#CCCCN(C1CC1)[C@@H]1CCCc2ccccc21 67712272 VQACKMSTPGNLHT-QGZVFWFLSA-N 254.377 3.832 30 20 CHED CC(C)OC(=O)O[C@H](C)Sc1ccccc1C#N 176621696 IEXSYUDFYNFOCG-JTQLQIEISA-N 265.334 3.558 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)c1cccs1 121526508 OVGRFPLWYLOORU-QWRGUYRKSA-N 295.367 3.604 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C2/Cc3ccccc3C2=O)cc1 171113977 XSFNXXOLFZYUIW-YDRQLGOLSA-N 289.334 3.800 30 20 CHED C=C(Cl)CSc1cc2c(cc1Cl)OCCO2 303191739 WUPLSERBOHSBSA-UHFFFAOYSA-N 277.172 3.956 30 20 CHED CC#CCCCC(=O)N[C@H](C)C(C)(C)c1ccccc1 185660419 JHJLJXUQKNMZPW-OAHLLOKOSA-N 271.404 3.663 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1cccc(OCC#N)c1 308087570 LEVPPXHZGFHHCY-CQSZACIVSA-N 288.391 3.990 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C)CC(C)(C)OC)cc1 121962135 SJSWJNRSHGWALM-CABCVRRESA-N 289.419 3.553 30 20 CHED CCCO[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 110587431 JFMCFPZUJPHIOH-OAHLLOKOSA-N 292.810 3.997 30 20 CHED Cc1csc(-c2cccc(NC(=O)C3(C#N)CCC3)c2)n1 119898070 XISKTXKCGCXFEB-UHFFFAOYSA-N 297.383 3.751 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1CCC(C)C 120327588 PRHFLSUFVLAVKE-KGLIPLIRSA-N 252.402 3.561 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 178115612 NHVYXMYGMCGRNY-WMLDXEAASA-N 284.403 3.528 30 20 CHED CCN(C[C@@H](O)c1ccc(C)cc1)c1cccc(F)c1C#N 301495530 SRINRYGHIIRGHT-GOSISDBHSA-N 298.361 3.566 30 20 CHED C=C[C@H](CC(=O)NCC1(CC)CC1)c1ccccc1 121696263 VVRCVTKXNBQMNC-CQSZACIVSA-N 257.377 3.653 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)c1ccccc1 122693589 SCCRFVJOMJUMGZ-GXTWGEPZSA-N 289.338 3.543 30 20 CHED Cn1c(SCCCC#N)nnc1-c1cccc(Cl)c1 124952310 XTXMMUNWLGNLOF-UHFFFAOYSA-N 292.795 3.531 30 20 CHED CSCCC/N=C(/Nc1ccccc1)N1CCCCC1 304758123 PNXPXCVECZHKQN-UHFFFAOYSA-N 291.464 3.694 30 20 CHED CN(Cc1cccc(Cl)c1Cl)c1ccc(C#N)nc1 301500641 ASJOMWPYVQMRAB-UHFFFAOYSA-N 292.169 3.896 30 20 CHED Cc1c([C@H](C)Nc2ccc(C#N)nn2)oc2ccccc12 189662741 LDRSQTIQKKGDGP-NSHDSACASA-N 278.315 3.576 30 20 CHED C=C(C)CN(C)Cc1ccc(OCC(F)(F)F)c(F)c1 183651811 MGMVRNCYEGCIGF-UHFFFAOYSA-N 291.288 3.775 30 20 CHED C=CCCC[C@H](C)NC(=O)CCC(=O)c1ccccc1 182586559 RQVDMMJIBVUVBQ-AWEZNQCLSA-N 273.376 3.511 30 20 CHED C=CCC[C@H](NC(=O)N(C)CC(=C)C)c1ccccc1 181573325 XBCWIJVGCPIFOL-INIZCTEOSA-N 272.392 3.911 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@@H](C#N)C1CCCCC1 182262652 DAZXOQTURHUXHC-CJNGLKHVSA-N 283.375 3.862 30 20 CHED C=C(Br)CNCc1ccc2ccccc2c1 122714447 IWKVYGNVMGHCCF-UHFFFAOYSA-N 276.177 3.838 30 20 CHED N#Cc1cc2c(nc1SCc1ccccn1)CCCC2 78658686 LNDOQEATUJAIDO-UHFFFAOYSA-N 281.384 3.519 30 20 CHED CSc1ccc2c(c1)CC/C(=C\c1cn(C)nc1C)C2=O 121156506 NCFHZXKXTNBFLQ-MDWZMJQESA-N 298.411 3.663 30 20 CHED N#Cc1ccc(CNC(=O)c2ccc(C3CCC3)cc2)cc1 188152524 DQXNXOQKDOSQME-UHFFFAOYSA-N 290.366 3.756 30 20 CHED C[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)c1ccccc1 183283878 VISPIADHFHIBBA-BLLLJJGKSA-N 298.773 3.825 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1ccc(-c2ccccc2)[nH]1 184926410 BUYUAMSFLFGUKJ-HNNXBMFYSA-N 282.343 3.777 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 413977936 BCONOUIXRZRZPZ-CKEIUWERSA-N 281.440 3.546 30 20 CHED C[C@@H](CCC#N)N1CCC(Cc2ccc(F)c(F)c2)CC1 411541092 GLBMYCQQCALKEO-ZDUSSCGKSA-N 292.373 3.912 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCOc1cccc(C)c1 410132040 BBRJFUQRMGZUAN-OAHLLOKOSA-N 275.392 3.625 30 20 CHED C=CCSCCN[C@H](C)c1cccc(F)c1F 183290640 OKPYOSYMDUJZOF-SNVBAGLBSA-N 257.349 3.535 30 20 CHED N#Cc1ccc(Nc2cccc(OCC(F)(F)F)c2)nc1 75669072 WWPCDVZWKPSQIF-UHFFFAOYSA-N 293.248 3.638 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc(OCC#N)cc1 182274220 MUSAZAUYUPXKIB-WEVVVXLNSA-N 295.313 3.933 30 20 CHED CC#CCCCC(=O)Nc1ccccc1OCCCC 185455886 XKVUYPFUJPPUPE-UHFFFAOYSA-N 273.376 3.998 30 20 CHED CCCc1nnc(SCc2ccc(Cl)cc2C#N)o1 186632703 AUQLRFRQNVGXOH-UHFFFAOYSA-N 293.779 3.839 30 20 CHED C=CC[C@@H](C)NC[C@H](C)Cc1ccc(OC)c(F)c1 185291872 UJJSZRNQKXMXSA-CHWSQXEVSA-N 265.372 3.567 30 20 CHED Cn1c(-c2ccc(C#N)cc2)nc2cc(Cl)ccc21 48526465 ZWMZAXMVASBIBQ-UHFFFAOYSA-N 267.719 3.765 30 20 CHED C=CCCOCCNCc1ccc(Oc2ccccc2)o1 181039236 VHYAKTZXGQIRHK-UHFFFAOYSA-N 287.359 3.754 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C2=CCCC2)CC1 187306201 HMFDHMQUJLOAMW-UHFFFAOYSA-N 274.408 3.712 30 20 CHED Cc1cc(Br)ccc1CSCCC#N 413012601 MGVWVDFFQNXGPI-UHFFFAOYSA-N 270.195 3.904 30 20 CHED N#CCC[C@H](NCc1ccccc1F)c1ccccc1 130536783 JLSOHTJZMIQUEZ-KRWDZBQOSA-N 268.335 3.960 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(CC)CCC#N)cc1 133408570 KWMRXAUJQWUJQW-CQSZACIVSA-N 272.392 3.505 30 20 CHED Cc1c(C#N)cccc1C(=O)NC[C@H](C)Cc1cccs1 509948756 LITLVGZQSMMRRN-GFCCVEGCSA-N 298.411 3.537 30 20 CHED N#CCSCC(=O)Nc1ccc(-c2ccccc2)cc1 41749378 ISBYDZKPRYTTHZ-UHFFFAOYSA-N 282.368 3.549 30 20 CHED CC(C)n1ncc2ccc(N=C(O)C[C@H]3CCOC3)cc21 329852183 RHJHYCRUUSADBK-GFCCVEGCSA-N 287.363 3.632 30 20 CHED Cc1cc(C#N)ccc1OCc1cccc2cccnc12 130586479 OIUBQRNTZFMQNI-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](CC(C)C)OC)c1 415103079 BXEUMRNERKDNMO-MRXNPFEDSA-N 291.391 3.641 30 20 CHED C[C@@H]1CCC[C@H]1Nc1ccc(C#N)c(Br)c1 228187118 HJPQFCGPVZZZIU-NOZJJQNGSA-N 279.181 3.921 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C(/O)[C@H]1CCCC(O)=N1 328816166 PTOKDUAUMNSWQA-IJLUTSLNSA-N 284.425 3.516 30 20 CHED CC[C@H]1C[C@H](C(O)=Nc2scnc2C2CC2)CCO1 329387254 QVVQXFJHRZCCAG-MNOVXSKESA-N 280.393 3.814 30 20 CHED Cc1ccc(CCC(=O)[C@H](C#N)c2ccccn2)c(C)c1 41492208 DFFMYPPTTSNRQW-MRXNPFEDSA-N 278.355 3.508 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCc1ccsc1 46027011 YHIABTFJBLXPEV-UHFFFAOYSA-N 286.400 3.646 30 20 CHED C=C(C)CNCc1cn(Cc2ccccc2)nc1C(C)(C)C 512390099 YRFXPMLPBAUMKT-UHFFFAOYSA-N 297.446 3.895 30 20 CHED CCCC/C(N)=N/OCc1csc(-c2ccc(C)o2)n1 49441884 CNARXQZDYGUKPL-UHFFFAOYSA-N 293.392 3.691 30 20 CHED C=CCCCN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 134027804 KDOAAGUEWYFVFD-LSDHHAIUSA-N 296.455 3.578 30 20 CHED CCc1cc(C(=O)N2CCc3c(C#N)cccc32)sc1C 421650673 HTCZEUXQONFOCP-UHFFFAOYSA-N 296.395 3.694 30 20 CHED C=CC[C@@H](CC)NC(=O)NC(C)(C)c1ccccc1OC 513356565 GJUVSVDQXWFFNY-CYBMUJFWSA-N 290.407 3.584 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)c2ccccc2)c1 43986420 GCPLANBDTCYKLU-CYBMUJFWSA-N 264.328 3.551 30 20 CHED O/C(CC/C(O)=N/C1CCCC1)=N\CC1CCSCC1 328752724 CZBBAVQXYWDUBW-UHFFFAOYSA-N 298.452 3.765 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1ccccc1 190349055 LAFFANGFLZAMQM-QGZVFWFLSA-N 259.393 3.683 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC)cc1Cl 424359309 YIZZVBDDBZPIFL-LYRGGWFBSA-N 295.810 3.733 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(-c2ccccc2C(F)(F)F)no1 334667681 FLGWPRUNQALNKK-AMIZOPFISA-N 293.248 3.557 30 20 CHED CC(C)CSCCCNCc1ccc(C#N)cc1F 339503966 JWEABONFIHSYBJ-UHFFFAOYSA-N 280.412 3.566 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)NC1(C#N)CCCCC1 424635454 ZRLCLMCZJXUJEN-INIZCTEOSA-N 298.430 3.906 30 20 CHED C[C@H](N[C@H]1CCC[C@@H]1OC(F)F)c1ccc(C#N)c(F)c1 337555514 RCLXHTUTOWPRNZ-HERUPUMHSA-N 298.308 3.508 30 20 CHED N#Cc1cccc(CCN[C@H]2CCC[C@@H]2CCCF)c1 510926435 CWZRXQJJOXPYNE-SJORKVTESA-N 274.383 3.609 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CC[C@H](C)C1 429615671 DFNFTKUIWHYGDX-FZMZJTMJSA-N 271.364 3.519 30 20 CHED Cc1cc(N2CC[C@H](c3ccccc3)[C@H]2C)c(C#N)cn1 425231023 MLZBIGJLMARTBS-PBHICJAKSA-N 277.371 3.644 30 20 CHED N#Cc1ccnc(N2CC3(CCC3)[C@@H]2c2ccco2)c1Cl 334623413 UYGFRDLPNAVDAG-AWEZNQCLSA-N 299.761 3.931 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C#N)s1 336100577 UGIXLEDXGZJSDQ-OCCSQVGLSA-N 296.395 3.638 30 20 CHED CCc1cccc(C)c1NC(=O)c1cccc(C#N)c1C 337843214 GKKBQYOIILJVBO-UHFFFAOYSA-N 278.355 3.990 30 20 CHED CN(CCC#N)c1ccc(CN2CCC[C@@H]2C2CCC2)cc1 92781103 UOBOZLRKNQVDIW-LJQANCHMSA-N 297.446 3.801 30 20 CHED C=C(C)CN(Cc1cccc(CC)c1)Cc1ccc(CO)o1 512211442 KARZBLMTFKBRJO-UHFFFAOYSA-N 299.414 3.913 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C(C)(C)C)C(F)(F)F 515738098 OONCIVGWGDBNNG-QWRGUYRKSA-N 292.345 3.714 30 20 CHED C[C@H]1CCCC[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 514098447 GWRKBNKGPFVKHS-HNAYVOBHSA-N 297.446 3.695 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)c2occc2C(C)C)o1 330476430 HQJGSQIUHGBGRI-SNVBAGLBSA-N 262.309 3.765 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(C#N)s2)C1 335109417 LZCIXIGDAFOPGD-LLVKDONJSA-N 276.405 3.518 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 514762020 RLQFCYPCXFPYDX-CYBMUJFWSA-N 289.354 3.597 30 20 CHED C[C@H]1C[C@@H](/N=C(/O)c2cccc(CC#N)c2)CC[C@H]1C 330807602 AAMHONKMNUOJRQ-WWGRRREGSA-N 270.376 3.882 30 20 CHED Cn1cc(-c2ccc(CNc3cccc(C#N)c3)s2)cn1 337761580 PKCKGVCGBVZXFZ-UHFFFAOYSA-N 294.383 3.632 30 20 CHED C[C@H](Nc1cccc(Cl)n1)c1cccc(C#N)c1 149859871 SVVWREHCLFMXAN-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC/C=C\c1ccc(F)c(F)c1 512355271 UPMUWUQXXQCELR-UIRUKZSUSA-N 293.357 3.549 30 20 CHED N#Cc1ccncc1NCCOc1cccc2ccccc12 339017769 VXAIGIHPDLNSKC-UHFFFAOYSA-N 289.338 3.597 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cccc(C)c1C 436291837 QYKKPMFZPWNUDZ-NUJGCVRESA-N 273.420 3.935 30 20 CHED CC(C)(C#N)CCCCOc1cc(C=O)ccc1[N+](=O)[O-] 232518767 RYQALEZGWITSJZ-UHFFFAOYSA-N 290.319 3.506 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1C1CC1 433872698 ACJCFXIPEMUXQS-QZTJIDSGSA-N 296.414 3.589 30 20 CHED CC[C@@H](Nc1nc(C)cc(C#N)n1)c1cc(C)ccc1C 528222905 NNSCLUOOKNNBHU-MRXNPFEDSA-N 280.375 3.837 30 20 CHED CC(C)CC[C@@H](C)NC(=O)[C@@H](C#N)CCc1ccccc1 433230666 HVHGUABVZNHISV-NVXWUHKLSA-N 286.419 3.700 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1nc(-c2ccccc2C)no1 245931806 YOZAXBCVVFEEKW-GXTWGEPZSA-N 298.390 3.588 30 20 CHED C=CCCOCCCCC(=O)N(C)Cc1ccc(C)s1 342842690 QMKZUWIHKNAZLC-UHFFFAOYSA-N 295.448 3.778 30 20 CHED C=CCCOCCCCC(=O)NCc1ccc(Cl)cc1 342610499 AQVDIQIRXBOAMY-UHFFFAOYSA-N 295.810 3.719 30 20 CHED N#Cc1nn(CCCC(=O)c2ccccc2)c2ccccc12 344247257 JGIRHZMTKVRICG-UHFFFAOYSA-N 289.338 3.571 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCC(C)(C)C1 432307414 MXPVZXKIDPEPIG-CQSZACIVSA-N 285.391 3.909 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1 247409940 QBUDNZZUAJMMAS-ADAWSYLGSA-N 286.419 3.892 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)c1ccc2n[nH]cc2c1 343924579 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CHED C#CCOc1ccccc1CNCC1CCC(F)(F)CC1 800294045 UTRWYNKNLPVYLE-UHFFFAOYSA-N 293.357 3.614 30 20 CHED C=CCCCCOc1ccc(-c2nncs2)cc1 563611140 KGSYUKBZNXDCCU-UHFFFAOYSA-N 260.362 3.940 30 20 CHED C=CCCCCNC(=O)c1cc(Cl)ccc1C 471718944 XZSOALHBQXKLHG-UHFFFAOYSA-N 251.757 3.735 30 20 CHED C(=NNc1nccnc1C1CCC1)c1coc2ccccc12 807993807 FXAQTAIJFZRQLZ-UHFFFAOYSA-N 292.342 3.936 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)N2CCC(CC#N)CC2)C1 564296260 NNDDQCVGBHBQAD-OFQRWUPVSA-N 291.439 3.536 30 20 CHED C[C@@H]1Sc2ccccc2N(C(=O)CCCC#N)[C@@H]1C 291263752 BYXFKJYURQHNEA-NEPJUHHUSA-N 274.389 3.596 30 20 CHED CC[C@H](C#N)Oc1cccc(CNc2ccc(F)cn2)c1 804459774 ZESSMMUIKDVKKE-CQSZACIVSA-N 285.322 3.514 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C)c(NC(C)=O)c1C 644586208 VCINTVLEAMZWON-UHFFFAOYSA-N 288.391 3.803 30 20 CHED N#Cc1cc(F)ccc1CN(C#N)c1cccc(Cl)c1 478737096 KMSYFDHOWZMRDU-UHFFFAOYSA-N 285.709 3.838 30 20 CHED CCN(Cc1cccs1)C(=O)[C@]1(C#N)CC12CCCC2 294365273 JZALIVKJEMYIEU-MRXNPFEDSA-N 288.416 3.571 30 20 CHED N#Cc1cccc(CNC2(Cc3cccc(F)c3)CCC2)c1 479876786 VFSYCGCSFMZPBU-UHFFFAOYSA-N 294.373 3.952 30 20 CHED CC[C@H](NC[C@@H]1COc2ccccc21)c1ccc(C#N)cc1 290297417 NGZHLSXQUGSZOV-AEFFLSMTSA-N 292.382 3.775 30 20 CHED CCN(C(=O)/C=C\c1ccccc1C#N)c1ccccc1 800342132 JUAUKTMLUZQOCP-SEYXRHQNSA-N 276.339 3.625 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(OC)c(F)c2)no1 568914079 AQHLTCUNMBRPRY-MRXNPFEDSA-N 290.338 3.662 30 20 CHED CC[C@@H](C)NN=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2 807984230 JNYXBKLLJQNODM-XYPHTWIQSA-N 270.420 3.946 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2ccc(C)o2)n1 560028739 RBZVGYKVZGPTAT-CMDGGOBGSA-N 258.321 3.995 30 20 CHED C=CCC(C)(C)C(=O)NCC(CC)(CC)SC 814117004 MCMHZTFYZSYPNX-UHFFFAOYSA-N 257.443 3.627 30 20 CHED CCCCC[C@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1 560108681 ZTRNPKKXEJTRTK-HNNXBMFYSA-N 288.366 3.882 30 20 CHED COc1cccc2cc(C(C)=NOC3CCC3)oc12 812237278 SCDMHVHUVKBPFM-UHFFFAOYSA-N 259.305 3.735 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 642049424 NNSVQGYLKLMKNL-ZBFHGGJFSA-N 287.403 3.902 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc2ccc(O)cc12 489037768 IGKWEIDFPHFOHT-UHFFFAOYSA-N 292.338 3.785 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCC[C@@H]1C 487323947 SNWOXLCKTSXCHD-WCQYABFASA-N 276.405 3.661 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cccc(F)c1C#N 811688982 VAJMHSZMRYCDSS-BQYQJAHWSA-N 295.313 3.911 30 20 CHED C=CC[C@@H](NCc1cc(F)ccc1OC)c1ccncc1 812756598 OAVBYFVKZYNLBX-MRXNPFEDSA-N 286.350 3.636 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(CC)CCCC#N 483936557 AELLTXPZOQOHTD-QGZVFWFLSA-N 258.409 3.942 30 20 CHED C=CCCCN[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 652194106 FUWQSZRTDCNGDX-AWEZNQCLSA-N 293.407 3.719 30 20 CHED C#Cc1ccccc1CC(=O)Oc1cc(F)ccc1Cl 810861738 AGJHGAUSWUYAHZ-UHFFFAOYSA-N 288.705 3.609 30 20 CHED C=CCOCCOC(=O)[C@H](c1ccccc1)[C@@H](C)CC 815168028 INZUQWZTWHHBMI-HOCLYGCPSA-N 276.376 3.562 30 20 CHED C=CCCCCOC(=O)CCc1cc2ccccc2nc1O 811010876 ZUJZIOVHHNRDTJ-UHFFFAOYSA-N 299.370 3.773 30 20 CHED C=CCN(CC=C)CCc1nsc2ccccc12 659837968 ISEBNEYPJOMPII-UHFFFAOYSA-N 258.390 3.513 30 20 CHED COc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc1C 811695086 XDQOUFAHOSYBOU-LZYBPNLTSA-N 289.334 3.698 30 20 CHED CCOc1ccc(NN=Cc2cc(C)ccc2F)cc1 814985256 YRHYPYKBGOJJNP-UHFFFAOYSA-N 272.323 3.979 30 20 CHED Cc1cc(Cl)cc(C)c1OC(=O)CCCC#N 812827293 OTNJHQZBMDSJSV-UHFFFAOYSA-N 251.713 3.556 30 20 CHED COc1cccc2c(NCC3CCC(C#N)CC3)ccnc12 576813300 RGJNXWXFMKVOEW-UHFFFAOYSA-N 295.386 3.985 30 20 CHED CC(Cn1cccn1)=NNc1cccc2ccccc12 814823081 QJIWAKANXOLGON-UHFFFAOYSA-N 264.332 3.524 30 20 CHED c1ccc(C[C@@H]2CCC(=NNC[C@H]3CCSC3)C2)cc1 814934904 DVCKYSKDSFSDPX-JKSUJKDBSA-N 288.460 3.728 30 20 CHED CC(=NOC/C=C/Cl)c1cccc(OC(F)F)c1 811671005 LADXECRJODGPGX-GLNLCZHCSA-N 275.682 3.781 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccccc2C(=O)O)o1 812446215 SFLYTVXMWAJFIH-ZWNOBZJWSA-N 284.315 3.547 30 20 CHED N#Cc1ccc(Sc2ncnc3cccc(F)c23)cc1 480348101 MTOBGYNNMPPBEO-UHFFFAOYSA-N 281.315 3.792 30 20 CHED Cc1ccccc1[C@H]1CN(c2ccc(C#N)cc2)[C@H](C)CO1 487631934 ISZCFBQOAUASJI-DNVCBOLYSA-N 292.382 3.833 30 20 CHED CC(C)(C(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 573876324 ZLIHSRNUVQMPQT-UHFFFAOYSA-N 288.416 3.873 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccc(OC(C)(C)C)cc1 815111950 HHMFDOWGUYJMCP-UHFFFAOYSA-N 297.345 3.692 30 20 CHED CSC(C)(C)CC=NNc1cc(Cl)ccn1 814897776 DQHOHEVMDWTEFA-UHFFFAOYSA-N 257.790 3.664 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](C)CC1CCCCC1 810706148 RQKRMZJXLQAZJW-OAHLLOKOSA-N 283.415 3.686 30 20 CHED C[C@@H]1CCCC1=NNc1ccc(Cl)cc1[N+](=O)[O-] 729142767 ZNFDFXGBRYVGJO-MRVPVSSYSA-N 267.716 3.836 30 20 CHED COc1ccc(F)cc1C=NNc1cc(C)ccc1C 812225159 STBVLVQTXXICLK-UHFFFAOYSA-N 272.323 3.897 30 20 CHED Cc1nc(N2CC[C@H](Cc3ccccc3)[C@H]2C)ccc1C#N 488119237 COLUFPHAQSABDV-NVXWUHKLSA-N 291.398 3.719 30 20 CHED CC[C@H](C)C[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 574441641 AOFCBOKKVRZJDV-OGHNNQOOSA-N 256.393 3.960 30 20 CHED N#CCCN(C(=O)[C@@H]1CC12CCCC2)c1ccc(F)cc1 571732776 AIVBLQDQAQVBBN-HNNXBMFYSA-N 286.350 3.653 30 20 CHED C=CCCOC(=O)c1ccc(SC(C)C)cc1 729072365 JVPCXWDPIBHOBC-UHFFFAOYSA-N 250.363 3.920 30 20 CHED C#CCCOC(=O)CSc1cc(Cl)ccc1Cl 727041638 FOYZICYHLOYYSC-UHFFFAOYSA-N 289.183 3.652 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCOc2c(OC)cccc21 655850855 MWWIEGIPTLQLAA-KCQAQPDRSA-N 275.392 3.709 30 20 CHED CC#CCCNC(=O)Nc1ccc(OCCCC)cc1C 497673562 YVGVCNWMELATGL-UHFFFAOYSA-N 288.391 3.709 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N1CCc2c(C#N)cccc21 578876825 SCZREDWTTQCUET-KGLIPLIRSA-N 282.387 3.664 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H]1CCO[C@@H](C(C)C)C1 820571675 NTATWARJDFUSCK-UONOGXRCSA-N 268.397 3.583 30 20 CHED C=CCC[C@@H](C)NCC[C@@]1(C)CC1(Cl)Cl 824971041 NXJJBEYTYPIVHK-MNOVXSKESA-N 250.213 3.905 30 20 CHED Cn1ncc(N[C@H]2CCC[C@@H](C#N)C2)c1-c1ccccc1 589190203 FPKQLLJXKPLSKX-HIFRSBDPSA-N 280.375 3.581 30 20 CHED C=CCOc1ccc(C(=O)N(C)c2cccc(C)c2)cc1 589058887 YWCGHAGEOLBEDP-UHFFFAOYSA-N 281.355 3.836 30 20 CHED C=CCCCC[C@H](C)Nc1ccc2c(c1)N(C)C(=O)CO2 823937904 NCLVLCGXSJXIHQ-ZDUSSCGKSA-N 288.391 3.589 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 905190379 PMUXRPQZROGDIP-JTQLQIEISA-N 280.299 3.583 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1ccccc1C(F)(F)F 823370639 KZNWYDXPJPHSKI-LLVKDONJSA-N 283.293 3.542 30 20 CHED CCON=C1CCCC[C@@H]1c1ccc(OC)c(F)c1 732712649 MZYCLPKDOZQLFV-GFCCVEGCSA-N 265.328 3.884 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1cc2ccccc2s1 491743595 XSXAEFANSIRFOR-VXGBXAGGSA-N 286.400 3.625 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1 492896329 VTMSYNRCEDNOHS-CABCVRRESA-N 298.292 3.546 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1cncc(F)c1 737433339 DPCNMXZXKCBQKQ-UHFFFAOYSA-N 295.264 3.658 30 20 CHED C[C@H](NC(=O)c1sccc1C#N)[C@@H](C)C1CCCCC1 490886810 UFVCIFGXYAOOGZ-NEPJUHHUSA-N 290.432 3.954 30 20 CHED COc1cc(C)ccc1/C=C/C(=O)c1cnn(C(C)C)c1 834421864 VGLVHEHXGSUFQV-BQYQJAHWSA-N 284.359 3.677 30 20 CHED CCOc1cc(C=NNC(CC)CC)cc(Cl)c1OC 734366372 OYHJQNBTVUZYRP-UHFFFAOYSA-N 298.814 3.859 30 20 CHED C=CCONC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 837043984 UHWBGNDWFBMCFK-CQSZACIVSA-N 298.386 3.562 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C)C[C@H](C)C#N 735039946 IGIDLNKSFZLYII-KGLIPLIRSA-N 252.402 3.601 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccccc1C 833387085 NBUOQJZAOHJPRM-UHFFFAOYSA-N 268.316 3.529 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 838129046 HXJADRUMSDMGTL-OFQRWUPVSA-N 297.398 3.967 30 20 CHED CCc1onc(C)c1C=NN[C@H](Cc1ccccc1)C(C)C 901222825 SZRWIUSFUTXBBB-QGZVFWFLSA-N 299.418 3.736 30 20 CHED C#CCOc1cccc(NC(=O)c2cc(C)cc(C)c2)c1 730977763 OFAABHCASVPKAS-UHFFFAOYSA-N 279.339 3.568 30 20 CHED CCC1(C(=O)OCCCCC2(C#N)CCC2)CCOCC1 909142399 SFAVBGPNUKKSLL-UHFFFAOYSA-N 293.407 3.601 30 20 CHED C=CC[C@@H](C(=O)NCCCCCC(C)=O)c1ccccc1 909102188 PMSRYNGUZSPOML-QGZVFWFLSA-N 287.403 3.612 30 20 CHED C=C[C@](C)(CC)c1nc(COc2ccc(Cl)nc2)no1 906125150 DLPQAZJHNOAWMC-CQSZACIVSA-N 293.754 3.551 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)C#CC1CC1 837411605 FRJKHUBQFBYZBH-KRWDZBQOSA-N 269.388 3.612 30 20 CHED CC#CCCCCOC(=O)[C@@H](CC)CC(F)(F)F 835310488 FVFHZRHSQJBGBH-NSHDSACASA-N 264.287 3.702 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)OC[C@H](C#N)Cc1cccs1 835260598 IUXHPJFYIZJOJP-GZBFAFLISA-N 291.416 3.800 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ncoc1C(C)C 731961592 OJXOHEKKXYIWPI-UHFFFAOYSA-N 290.388 3.688 30 20 CHED N#C[C@]1(C(=O)OCCCCC(F)(F)F)CC12CCCC2 837904101 WDKZLJQHKZUYON-ZDUSSCGKSA-N 289.297 3.736 30 20 CHED COc1cccc(C(C)=NNc2ccc(C)cc2)c1 916250449 GGTFVUVWPQQRJK-UHFFFAOYSA-N 254.333 3.840 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(N(C)CC)cc1 834894358 RNPHQAGNHIAPGD-OLMNPRSZSA-N 288.435 3.527 30 20 CHED N#CC1(CSc2ncc(Cl)s2)CCCC1 918095136 DZOQFKLTGNUANY-UHFFFAOYSA-N 258.799 3.973 30 20 CHED CC(C)Cn1ncc(NCC2(CC#N)CC2)c1C1CC1 594704161 CUFKTZFVHOWDBK-UHFFFAOYSA-N 272.396 3.522 30 20 CHED CCC[C@H](C(=O)N(C)[C@H](C#N)CC)c1ccc(Cl)cc1 598849600 FXKUZVRMJLOAFB-GJZGRUSLSA-N 292.810 3.984 30 20 CHED N#Cc1cc(N2CCC[C@@H](c3ccc(F)c(F)c3)C2)ccn1 599119866 VYIJUOAKZCJQRE-CYBMUJFWSA-N 299.324 3.615 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(F)c(C)c1 742376505 VPEJSGCGQWYLJH-UHFFFAOYSA-N 287.309 3.897 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 594002459 VZASSGIOOFNKAH-LSDHHAIUSA-N 284.403 3.598 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCCC[C@@H]1C 915920999 KAJNKINIBUWHJN-LBPRGKRZSA-N 275.421 3.848 30 20 CHED C#CCCCCC(=O)O[C@@H](C#C)c1ccc(Cl)cc1F 842353969 SLHYLNRTUVPNLX-HNNXBMFYSA-N 292.737 3.890 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC(C)(C)CC1 593984441 OPGKFMWPRGJTJJ-OAHLLOKOSA-N 298.430 3.776 30 20 CHED C[C@H](OC(=O)[C@@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 748686647 ZOTGKYUVBOEGTM-DVOMOZLQSA-N 271.360 3.989 30 20 CHED C=CCNC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 912630316 BEQNISYFAXMISR-UTCJRWHESA-N 289.684 3.674 30 20 CHED CC(C)C[C@H](C)OC(=O)Oc1cccc(OCC#N)c1 841566704 OQIZEEXXNBLNAX-LBPRGKRZSA-N 277.320 3.539 30 20 CHED CCOc1ccc(CNCc2ccc(C#N)c(F)c2)c(C)c1 594961743 YRROZTYAUZNNEA-UHFFFAOYSA-N 298.361 3.694 30 20 CHED COc1cc2ccccc2cc1CN1CCC[C@@H](CC#N)C1 597178509 ZOKBMDXKUYMLKC-HNNXBMFYSA-N 294.398 3.974 30 20 CHED CCCCCCCOC(=O)Cc1noc2ccccc12 918494086 MRHCEXGWJZCDNW-UHFFFAOYSA-N 275.348 3.884 30 20 CHED CC(=NOCc1cccnc1)c1ccc(OC(F)F)cc1 746587369 NWSXFGYRTYFEEH-UHFFFAOYSA-N 292.285 3.624 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CC[C@H](COC)C1 740473699 OQQOMWVXIVQNJN-HOTGVXAUSA-N 298.471 3.661 30 20 CHED C=CCC[C@@H](OC(=O)c1cnc2n1[C@@H](C)CCC2)C1CC1 845492011 AEFVXHPLXBXTTE-SWLSCSKDSA-N 288.391 3.682 30 20 CHED N#C[C@@H](C(=O)/C=C/c1ccco1)c1nc(C2CC2)cs1 842939809 XXHVIYZQEPQKQV-FYJFLYSWSA-N 284.340 3.503 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1C[C@H]1CC(C)(C)C 592623115 TTYFNHMBGOFFHC-UONOGXRCSA-N 278.440 3.990 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc2c(c1)COC2 742436721 NBFJJFFLMGUDHP-HJWRWDBZSA-N 264.324 3.921 30 20 CHED COc1cccc(/C=N\Cc2ccc([C@@H]3C[C@@H]3C)o2)c1O 917556688 IKBPRZBPMGAOCZ-SBFITTDKSA-N 285.343 3.736 30 20 CHED CCc1ccccc1NN=C(C)c1cccc([N+](=O)[O-])c1 915051728 OYNJASRCVYGKCD-UHFFFAOYSA-N 283.331 3.993 30 20 CHED CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCCCC#N 595033656 RFPUYRHXLZCXEB-CQSZACIVSA-N 284.325 3.920 30 20 CHED N#Cc1nc(N2CCC3(CCCCC3)C2)sc1Cl 590579457 ZJTCINIJFJLZEJ-UHFFFAOYSA-N 281.812 3.829 30 20 CHED CCC(=NN[C@@H](C)c1ccccc1)C1CCOCC1 745198969 XAKUHWXZSGCPMI-ZDUSSCGKSA-N 260.381 3.530 30 20 CHED N#CC1(CC(=O)NC[C@H]2CCCC(F)(F)C2)CCCCC1 597622760 MJUXCJZLXVMJKM-ZDUSSCGKSA-N 298.377 3.792 30 20 CHED CSc1ccc(Cl)c(NC(=O)C2(C#N)CC(C)C2)c1 597925433 PINHSCKKNOWOCH-UHFFFAOYSA-N 294.807 3.940 30 20 CHED C[C@H]1/C(=C\c2ccc(C#N)s2)C(=O)c2c(O)ccc(F)c21 749000242 WINYELZVBHBHAJ-KIFNTFBYSA-N 299.326 3.848 30 20 CHED CC1(C)C(C(=O)[C@H](C#N)c2nc(C3CC3)cs2)C1(C)C 842940680 IINSEZSMZCJJDG-JTQLQIEISA-N 288.416 3.879 30 20 CHED C=CCCCCNC(=O)N1CCc2cc(F)ccc2[C@H]1C 681163988 PQQXDOYHVGDESF-CYBMUJFWSA-N 290.382 3.811 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@@H](CC)C1CCCCC1 682080879 WBSASXPDROSEJR-RDJZCZTQSA-N 281.440 3.690 30 20 CHED C#CCCCC(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 757915782 PSWUTCXCMHGQNG-MRXNPFEDSA-N 298.430 3.803 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C1/CC[C@H](C)C1 753596925 OZXIPIXMXRRPPR-QXPQOBGOSA-N 285.362 3.534 30 20 CHED C=CCC(C)(C)C(=O)OCCc1ccnc2ccccc12 851302801 DJPXXAZFNQWPIS-UHFFFAOYSA-N 283.371 3.923 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1CCC2(CC1)CC2 851203168 OSKKZCOVZGKQBZ-GFCCVEGCSA-N 263.381 3.828 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC(C)(C)C2)c1 683941239 FSRSFHHLFMPFNU-UHFFFAOYSA-N 274.364 3.515 30 20 CHED CC(C)[C@@H](CC(=O)N1CCC[C@H](C#N)C1)c1ccccc1 928224274 JIQLOGKVBJGCJB-NVXWUHKLSA-N 284.403 3.578 30 20 CHED C=CCOc1cccc(NC(=O)/C=C2\CC[C@@H](C)C2)c1 753594773 UNTGRBPKSYBCPM-MBFWDRTGSA-N 271.360 3.936 30 20 CHED COc1ccc(NN=C2CSCc3ccccc32)cc1 750926388 WOIXUXXANBWOFJ-UHFFFAOYSA-N 284.384 3.758 30 20 CHED COc1ccc2cc(C(C)=NOCC(F)F)ccc2c1 758906850 MAXOMEJPVZTRNX-UHFFFAOYSA-N 279.286 3.854 30 20 CHED C=C(Cl)CSCC(=O)NC1(c2ccccc2)CCC1 853783993 UIICBKVYNKKARH-UHFFFAOYSA-N 295.835 3.668 30 20 CHED C=CC[C@@H](N[C@H]1CCCc2scnc21)c1ccncc1 858365660 QAVUQPLUWYWVLZ-KGLIPLIRSA-N 285.416 3.823 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1c(C)cccc1Cl)OCC 756647031 XDCOOUGWYIKQRT-CYBMUJFWSA-N 282.767 3.925 30 20 CHED Cc1ccc(CC(=NOCC(F)F)C2CC2)cc1 758904961 XMTXKQOFPXQZOH-UHFFFAOYSA-N 253.292 3.585 30 20 CHED Cc1ccc([C@@H](C)Nc2nc(C#N)ccc2C)s1 853229784 LARVMKJYVJDESF-LLVKDONJSA-N 257.362 3.805 30 20 CHED C=C(Cl)CN1CCC[C@H]1Cn1c(C)nc2ccccc21 756624330 GTFQIEWXMSUNIQ-AWEZNQCLSA-N 289.810 3.562 30 20 CHED CC1(CC(=O)OCC(=O)c2ccc(C#N)cc2)CCCCC1 753539879 NUQGBBRYWZXZHH-UHFFFAOYSA-N 299.370 3.645 30 20 CHED C#CCCCC(=O)Oc1ccc(-c2cscn2)cc1 758578086 AFHGSDYCUZPPSS-UHFFFAOYSA-N 271.341 3.519 30 20 CHED CC[C@H]1CCCC1=NNC(=S)Nc1ccccc1OC 758363897 YKPJTANINCNQSE-NSHDSACASA-N 291.420 3.548 30 20 CHED C#CCOc1ccc([C@H](C)OC(=O)C(C#N)(CC)CC)cc1 860533552 UJQRFDZIODBVHF-AWEZNQCLSA-N 299.370 3.633 30 20 CHED C#CCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C)C1CC1 764676973 PGNNUFZSLKNWPO-INIZCTEOSA-N 284.403 3.581 30 20 CHED CC(=O)Nc1cccc(C(C)=NNc2c(C)cccc2F)c1 769839475 CXWRDFFMZYNKNN-UHFFFAOYSA-N 299.349 3.929 30 20 CHED C=CCCSCCN[C@@H](c1ccccn1)C(C)C 866386772 JYAIUKUGGPHPLU-OAHLLOKOSA-N 264.438 3.678 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2c(Cl)cccc2C1 933313320 RSUIPIOMBQHCGQ-LBPRGKRZSA-N 277.795 3.827 30 20 CHED COc1cc(C)ccc1/C=C1\CCc2scnc2C1=O 863198375 NFWCXLRNUFTHQC-XYOKQWHBSA-N 285.368 3.673 30 20 CHED Cc1cccc(F)c1NN=Cc1cnc(C2CC2)s1 769841794 WBUHOKOKFYNUBG-UHFFFAOYSA-N 275.352 3.914 30 20 CHED C#CCN(C(=O)N[C@H](c1cccc(C)c1)C(C)(C)C)C1CC1 764734771 NKZFWJHLYSASJJ-QGZVFWFLSA-N 298.430 3.889 30 20 CHED C#CC[C@@H](CCOC)NC1CC(c2ccc(Cl)cc2)C1 862547317 AXKBNCIYCJLNGV-WIHSUSGWSA-N 291.822 3.604 30 20 CHED N#Cc1ccc(COC(=O)c2ccc(F)c(Cl)c2)cc1 768083605 WDVJNFWHUDSMBB-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#C[C@@H](C)N(C)CCCCOc1cccc(C(F)(F)F)c1 769962091 BFQWJKCAALIYMC-CYBMUJFWSA-N 299.336 3.818 30 20 CHED Fc1ccc(/C=C\C=NNCC(F)(F)C(F)(F)F)cc1 863181026 FPMTVOFNRZCWOX-YZHSZULSSA-N 296.214 3.612 30 20 CHED C=C(Cl)C[C@H](NCc1ccc(C(C)(C)C)cc1)C(=O)O 864518381 IGUBAYXFFQEQFF-AWEZNQCLSA-N 295.810 3.670 30 20 CHED C=CCc1ccc(OC(=O)C2(CCC)CC2)c(OC)c1 760302222 SWYDSHAGKSCPEK-UHFFFAOYSA-N 274.360 3.909 30 20 CHED CCn1c(C)cc(C=NNCc2ccc(Cl)cc2)c1C 764717845 ISEVOLPSECFWIR-UHFFFAOYSA-N 289.810 3.902 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(F)c(F)c1 764434168 MAMOWFDWWBGGMU-PLNGDYQASA-N 280.295 3.931 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 879467817 KGKZMOPTGDUQBD-HIFRSBDPSA-N 272.392 3.593 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)CC#Cc1ccccc1 1116269235 HDRYVLBZNBTZDU-IBGZPJMESA-N 291.394 3.566 30 20 CHED CCCCOc1ccccc1C=NO[C@H]1CCCCO1 767386172 BVAPWEOMQLGMCB-INIZCTEOSA-N 277.364 3.743 30 20 CHED C=C1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)CC1 1119760728 HYXWBZFXRYPJJZ-UHFFFAOYSA-N 279.409 3.625 30 20 CHED CCc1ccc(-c2ccc(C(=O)OC[C@H](C)C#N)o2)cc1 770928852 IBYZRVIBXYKCPA-GFCCVEGCSA-N 283.327 3.825 30 20 CHED Cc1nnc(CON=Cc2ccc(C(C)C)cc2)s1 773183397 OFZNBFPOFLUHMK-UHFFFAOYSA-N 275.377 3.521 30 20 CHED C#CCCCCCC(=O)NCc1ccc(OCCC)cc1 779851860 YNZFLTVASYVJEQ-UHFFFAOYSA-N 287.403 3.675 30 20 CHED C=CC[C@H](NC(=O)c1ccc(C(C)C)nc1)c1ccncc1 772086486 ORFWDKXSLOXALT-KRWDZBQOSA-N 295.386 3.647 30 20 CHED CC(Cc1ccsc1)=NNc1nccnc1C(C)C 773085380 HWHUCZCIBLJGOW-UHFFFAOYSA-N 274.393 3.692 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(Cc2ccc(C)cc2)CC1 1116640406 QMOSYPIARDHSMD-UHFFFAOYSA-N 297.442 3.826 30 20 CHED O=C(/C=C/c1coc(-c2ccccc2)n1)c1cscn1 776193921 WUGGJYRQDIDIKI-VOTSOKGWSA-N 282.324 3.694 30 20 CHED C#C[C@@H](C)NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 772973338 WGNAOGKAVOMQHC-CYBMUJFWSA-N 283.371 3.545 30 20 CHED CSCC(=NNc1ccc2[nH]ncc2c1)c1ccccc1 779817897 UVUZAQNSAKRCNB-UHFFFAOYSA-N 296.399 3.742 30 20 CHED CC(C)c1nccnc1NN=C1CCC(C)(C)CC1 773092380 GCPJAMJHSBMVFK-UHFFFAOYSA-N 260.385 3.968 30 20 CHED C=CC(C)(C)CC(=O)NCc1cccc(OCC(F)F)c1 878631207 ZXIKFTJHMXCBAN-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C#CCCCCCC(=O)Oc1ccc(OC)cc1CC=C 779743554 PMURDZTVFGUTFT-UHFFFAOYSA-N 286.371 3.913 30 20 CHED COC(=O)c1ccccc1NN=C[C@H]1CCc2ccccc21 776187331 NTAKFEKYOSRYSJ-CQSZACIVSA-N 294.354 3.601 30 20 CHED C#CCOc1ccc(CNc2ccc(C)cc2OC)cc1 770530035 PPPLFAILFVJJII-UHFFFAOYSA-N 281.355 3.628 30 20 CHED CC(=NOC1CCCC1)c1ccc(C)c([N+](=O)[O-])c1 774596283 BCYKYYDSGCXNRT-UHFFFAOYSA-N 262.309 3.586 30 20 CHED C#CCCCCCC(=O)NC1(C(F)(F)F)CCCCC1 779938482 YBZWUPDTOMJARH-UHFFFAOYSA-N 289.341 3.952 30 20 CHED C#CC[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 775399543 SKHYRNWSPBGYJA-ZWKOTPCHSA-N 299.801 3.728 30 20 CHED C[C@@H](CCNC(=O)c1cc(C#N)ccc1F)CC(C)(C)C 1128014564 WDAPFHSKJVJEHL-LBPRGKRZSA-N 290.382 3.890 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(C#N)cc2F)c1 772807143 PRWDWXIMBBTKIR-BQYQJAHWSA-N 265.287 3.902 30 20 CHED C=CCSc1ccccc1C(=O)OCC[C@@H]1CCCO1 777326449 UFCGAHVVMVHADV-ZDUSSCGKSA-N 292.400 3.691 30 20 CHED C=C(CC(C)C)C(=O)N[C@H](C)c1ccc(Cl)cn1 1123799737 AEBXVNSLVZWFCP-LLVKDONJSA-N 266.772 3.515 30 20 CHED COc1ccc(CCC=NOCc2cccnc2)c(C)c1 777444285 UJVGHDGIGQNHSS-UHFFFAOYSA-N 284.359 3.534 30 20 CHED C=C(CC)COC(=O)Cc1ccc(Br)cc1 773429573 GBLXNQJKAXAOJY-UHFFFAOYSA-N 283.165 3.501 30 20 CHED C=CCC(=NNc1cccc(OC)n1)c1ccc(F)cc1 779816476 BLNIEWGKUMYJDQ-UHFFFAOYSA-N 285.322 3.622 30 20 CHED O=C(/C=C/c1cc(F)cc(Cl)c1)c1cc(O)cc(O)c1 776719778 AFSOHNBRBHOJJL-OWOJBTEDSA-N 292.693 3.786 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(COC(C)(C)C)c1 885619666 YMYRJGLUHVJGDU-QGZVFWFLSA-N 288.391 3.880 30 20 CHED C#CCCCCC(=O)OC[C@@H](C)c1ccc(OC)cc1 773853990 CGVZVDPRAJHGAR-CQSZACIVSA-N 274.360 3.536 30 20 CHED CC(=O)Nc1ccc(C(C)=NNc2cc(C)ccc2F)cc1 781595426 PZOUFMUJKSJLSH-UHFFFAOYSA-N 299.349 3.929 30 20 CHED CCc1ncc(C=NNc2ccc(Cl)c(OC)c2)s1 788468746 XQOOJRQOUDJQDX-UHFFFAOYSA-N 295.795 3.814 30 20 CHED C=CCCC[C@H](NC[C@@H]1CC[C@@H](O)C1)c1ccccc1 883218359 YWEIXHBCJQMPFI-NXHRZFHOSA-N 273.420 3.835 30 20 CHED CCCCN(C(=O)Nc1cc(C#N)c(F)cc1F)C1CC1 880715001 GSVDPHYJOKWAEX-UHFFFAOYSA-N 293.317 3.633 30 20 CHED C#CCC1(C(=O)Nc2ccc(C)c3cn[nH]c23)CCCCC1 788189042 RTXLYGIUBJGJRL-UHFFFAOYSA-N 295.386 3.784 30 20 CHED COc1ccc(C#N)cc1NC[C@@H]1CCCC[C@@H]1C 1560497694 BBMZTSADHKEFAU-JSGCOSHPSA-N 258.365 3.805 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 786343243 ITSMEFGWMLPRHA-MELADBBJSA-N 263.381 3.828 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 785768992 NPJRFVLAKKGCBH-AWEZNQCLSA-N 297.738 3.894 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1F)c1cncs1 787171910 QNKMMAJPSZXWFV-RJRFIUFISA-N 267.712 3.832 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1C#N 1124422011 YMNHBGPZKJVCEB-AWEZNQCLSA-N 272.392 3.811 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCCC[C@@H]1C(C)C 1127599843 XIGGSAWOOWNQFO-QGZVFWFLSA-N 284.403 3.908 30 20 CHED C=CCN(CC=C)[C@H](CNC(=O)/C(C)=C(/C)CC)C(C)C 780939880 KNMHXMHCGXXCMX-FUYCXPICSA-N 292.467 3.548 30 20 CHED C=C(C)CCC(=O)Nc1cccc(Cl)c1OC 1120790140 ZTDVUCLNHPMUHT-UHFFFAOYSA-N 253.729 3.643 30 20 CHED C#CCCCCCC(=O)N(C)c1ccccc1OCC 780006872 LYWOVONIPZWNPK-UHFFFAOYSA-N 273.376 3.632 30 20 CHED CCCCCCCCN[C@@H](c1ccccc1)c1nc[nH]n1 784357908 NKMZDXOSAGXSSP-INIZCTEOSA-N 286.423 3.844 30 20 CHED CC(=O)c1ccc(NCC(C)(C)C#N)cc1C(F)(F)F 893120581 JBCLLBOZEAQLOV-UHFFFAOYSA-N 284.281 3.870 30 20 CHED N#Cc1cnc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 896484163 AJYQFLFPZFQREM-QJPTWQEYSA-N 289.404 3.560 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 786610882 HWJYWQRCGNTOBI-XHDPSFHLSA-N 277.320 3.801 30 20 CHED C#CCC1(C(=O)Nc2cnc(Cl)cc2C)CCCCC1 788453178 LWNULZMZIYWFEU-UHFFFAOYSA-N 290.794 3.956 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OC/C(Cl)=C/Cl)cc1 796043851 UAKVVVVTFFJSKB-GHXNOFRVSA-N 298.169 3.964 30 20 CHED Cc1cccnc1NN=C1CC[C@@H]1c1ccccc1 790188283 WVZWUOKNQVVGOW-CQSZACIVSA-N 251.333 3.736 30 20 CHED CCCCCCCOC(=O)C[C@H]1CCC(=O)[C@H]1C 796230999 GLOJLBUYAVAVMA-QWHCGFSZSA-N 254.370 3.505 30 20 CHED CC[C@@H](C)CCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 797045972 VXEHNRKZAPKVMO-YPMHNXCESA-N 283.375 3.874 30 20 CHED Cc1ccc(F)c(NC(=O)c2ccc(C)c(C#N)c2)c1 799294369 BNRZENMXPUWNOS-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Fc1ccc(/C=C/C=NO[C@H]2CCCCO2)cc1F 794923364 OVAWYKSHQLWPLY-PHYCIAMISA-N 267.275 3.507 30 20 CHED N#Cc1ccc(C(=O)OC/C=C/c2ccc(Cl)cc2)o1 796142041 LOKPBRFMLFHYQQ-OWOJBTEDSA-N 287.702 3.675 30 20 CHED C=CC[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccncc1 799938269 TZOZCBFPNDZALI-ZIAGYGMSSA-N 294.345 3.641 30 20 CHED C=C[C@@H](C)OC(=O)c1sc2ccc(C#N)cc2c1C 797127816 DCEGNMGSDUBHNJ-SECBINFHSA-N 271.341 3.813 30 20 CHED N#C[C@@H]1CCCN(CCCc2ccc(C(F)(F)F)cc2)C1 1208689967 CXMLYOKXVDILPP-AWEZNQCLSA-N 296.336 3.874 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2occ3c2CCC3)cc1 795789628 KCFXJFRUSNMXTC-UHFFFAOYSA-N 294.354 3.637 30 20 CHED CCCC[C@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 799960421 UOCOOYCYZXHKST-STQMWFEESA-N 259.349 3.989 30 20 CHED C#C[C@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)C(C)C 799048843 WHBHYJGOULAPOV-KDOFPFPSSA-N 279.383 3.717 30 20 CHED CCCCOc1ccc(C=NNCCC(F)(F)F)cc1 794548681 YHAASOQSUXRLAL-UHFFFAOYSA-N 288.313 3.741 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1cc(C#N)ccc1F 1167093570 YTOCFSJAMRVDKV-UHFFFAOYSA-N 297.333 3.770 30 20 CHED CC(C)Cc1ccc(CN2CCC[C@H](C#N)C2)cc1 1231788046 MBDLYSRPYUUGMZ-QGZVFWFLSA-N 256.393 3.621 30 20 CHED C=CCN(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 272004182 ITIASGNSSUIOFG-UHFFFAOYSA-N 289.766 3.540 30 20 CHED N#Cc1ccc(NCc2cnc(-c3ccccc3)s2)cn1 1322351712 OAWTWHUMRSONTK-UHFFFAOYSA-N 292.367 3.689 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)CC#Cc1ccccc1 1325609959 CNVMQNKPGFPNSK-IAGOWNOFSA-N 283.415 3.759 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc2cccc(OCC)c2o1 1321241795 RPGUZXPWQGJROM-OCCSQVGLSA-N 289.375 3.683 30 20 CHED CCCCCCCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 703765783 PUHFBHXVSQFSJA-KFWWJZLASA-N 253.430 3.750 30 20 CHED CC(C)C(C)(C)CNC(=O)Nc1ccc(CC#N)cc1 187512159 ZARTWEIQDYZEDT-UHFFFAOYSA-N 273.380 3.556 30 20 CHED C/C(=C\C(C)(C)C)C(=O)OCc1ccc(C#N)s1 1327720118 AEJQLJMXGAIOJA-JXMROGBWSA-N 263.362 3.655 30 20 CHED CC(C)C(C)(C)CN[C@@H](C)c1ccc(OCC#N)cc1 188710025 YBYMWHRNALQNDD-AWEZNQCLSA-N 274.408 3.922 30 20 CHED CC(C)(NC(=O)c1cc(C#N)ccc1F)C1CCCCC1 1327880868 OCALYCMSYQNFHK-UHFFFAOYSA-N 288.366 3.786 30 20 CHED CC(C)(C)SCCNc1snc(Cl)c1C#N 66817389 ISAFOZRSGXHKST-UHFFFAOYSA-N 275.830 3.612 30 20 CHED Cc1cccc([C@H](C)C(=O)N(O)Cc2ccc(F)cc2)c1 1334069487 AKDYUEMRONHETM-ZDUSSCGKSA-N 287.334 3.656 30 20 CHED CCNc1ccccc1CN(C)Cc1ccc(C#N)cc1 1180170216 MECUOOPXWBBMGX-UHFFFAOYSA-N 279.387 3.622 30 20 CHED C=CCC[C@H](NC(=O)c1cnc(C(C)C)[nH]1)c1ccccc1 1253329554 LAGCHMIFSMQNOT-HNNXBMFYSA-N 297.402 3.970 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(C#N)cc2F)cc1C 1264854767 ZJFZXOADVSMBNG-UHFFFAOYSA-N 282.318 3.591 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1cccc(F)n1 1344035471 NHRCEKDGNACDIU-AGIUHOORSA-N 274.339 3.613 30 20 CHED CCC[C@H](OC)C(=O)O[C@@H](c1cccs1)[C@@H](C#N)CC 1348798344 JJCNQONSJXHMCO-MBNYWOFBSA-N 295.404 3.697 30 20 CHED CSc1ccc(CCC(=O)OC2(CC#N)CCC2)cc1 1344900647 NNCZJXIGXHVKDH-UHFFFAOYSA-N 289.400 3.721 30 20 CHED C#CCCCCCc1nnc(-c2cccc(N(C)C)c2)o1 1261567860 AZZZCCPCZFTDLZ-UHFFFAOYSA-N 283.375 3.539 30 20 CHED N#CCc1cccc(N[C@@H]2CCCc3cc(C#N)ccc32)n1 1348574492 RIEWSTWJWDPPRP-QGZVFWFLSA-N 288.354 3.509 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cc1 1275985004 ZITLDHSTIMJWMM-NVXWUHKLSA-N 284.403 3.895 30 20 CHED C=C(CC)C(=O)N1CCSC[C@H]1c1ccc(C)cc1 1519473626 IZLHMLSGSDQBIZ-HNNXBMFYSA-N 275.417 3.578 30 20 CHED N#Cc1sc(Sc2ccc3[nH]ncc3c2)nc1Cl 1458435961 SUFLKOMEYPJXOM-UHFFFAOYSA-N 292.776 3.696 30 20 CHED Cc1ccc([C@@H](CC(F)(F)F)NCC2(C#N)CC2)cc1 1459909910 ZNPUIYUMKKSGEE-CYBMUJFWSA-N 282.309 3.882 30 20 CHED C=CCCC(=O)O[C@H](c1cccs1)[C@H](C#N)CC 1525978632 SFTNDCNOKPTFCE-FZMZJTMJSA-N 263.362 3.848 30 20 CHED C#CCCCCC(=O)Nc1c(C(=O)O)ccc2ccccc12 1602703154 UXNJKJWQEOGBPE-UHFFFAOYSA-N 295.338 3.670 30 20 CHED C=CCCCN(CC)C(=O)Nc1cc(C(=O)O)ccc1C 1602874982 NSCXBMQIGFESNN-UHFFFAOYSA-N 290.363 3.513 30 20 CHED CCCCCCCC(=O)N(CC(=O)O)C1CCCCC1 1605267527 XWYKTQOLDQMLNU-UHFFFAOYSA-N 283.412 3.593 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)OCc1cc(C#N)ccc1F 1542583543 TXWFCDFDWOSESV-SMDDNHRTSA-N 275.323 3.567 30 20 CHED N#Cc1cc(SCc2cccc(F)c2F)ccn1 1612899325 MUIPITXTNRFIMD-UHFFFAOYSA-N 262.284 3.524 30 20 CHED CC[C@@]1(C)CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1629922460 SGUMACAXMDJCJR-WMZOPIPTSA-N 284.403 3.723 30 20 CHED CCOc1ccccc1OCc1ccccc1C#N 11834147 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30 20 CHED C=CC[C@@H]1CCCN(Cc2csc(Cl)n2)C1 852410671 PBNSPCXDJTWOAU-SNVBAGLBSA-N 256.802 3.585 30 20 CHED Cc1nc(C)c(C(=O)Nc2ccc(C#N)cc2Cl)s1 225783931 QRVCQTKOXMWRMX-UHFFFAOYSA-N 291.763 3.537 30 20 CHED Cc1cccc(OCc2cc(F)ccc2C#N)c1F 227296604 QMVINEUYGUUGQB-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC[C@H](Nc1nccc(C#N)c1Cl)c1nccs1 234040278 MKQKRTGOSMZPDU-VIFPVBQESA-N 278.768 3.626 30 20 CHED C[C@@H](Nc1ccc2c(c1)COC2)c1ccc(C#N)cc1 152721453 IZOOCPQWZAKOCE-GFCCVEGCSA-N 264.328 3.762 30 20 CHED N#Cc1ccncc1NCc1ccccc1C(F)(F)F 157935597 JYFQKWKYMZPKLB-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CCSCC[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 164591717 FUNCTUMGWJVUBN-KBPBESRZSA-N 292.448 3.771 30 20 CHED CON(CCCCC(C)(C)C#N)Cc1ccccc1 278891823 UPMXFVVJOXMEQH-UHFFFAOYSA-N 260.381 3.770 30 20 CHED C=CCN(Cc1ncc(Br)s1)C(C)(C)C 661759562 IKCKMKQEAMKZPW-UHFFFAOYSA-N 289.242 3.692 30 20 CHED CCC[C@@H](CC)N[C@H](C)c1ccc(OCC#N)cc1 50401809 ASQRWLJLPTYOKW-UKRRQHHQSA-N 260.381 3.818 30 20 CHED 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Cc1ccnc(N2CCC(C3CCCC3)CC2)c1C#N 612085248 YHJRUGTWHIAGMD-UHFFFAOYSA-N 269.392 3.668 30 20 CHED CC(C)c1nc(CN2CCc3ccc(C#N)cc32)cs1 339826347 IMWOLTYTFWOVFE-UHFFFAOYSA-N 283.400 3.701 30 20 CHED N#Cc1cccc(NC(=O)c2ccsc2Cl)c1 1349165444 MLPGFWFZKZAUTB-UHFFFAOYSA-N 262.721 3.525 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(O)c2)cc(C)c1O 8322446 UIXDVLAIYVLRQD-VOTSOKGWSA-N 268.312 3.611 30 20 CHED C#Cc1cccc(NC(=O)COc2ccccc2C(C)C)c1 25614004 STTCDFXGIXQHSP-UHFFFAOYSA-N 293.366 3.809 30 20 CHED Cc1cccc(COc2cccc(C(=O)O[C@@H](C)C#N)c2)c1 25780789 CLXZOKXCHAAIRH-AWEZNQCLSA-N 295.338 3.643 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(OC)ccc2OC)cc1 33777904 VRAOKQZJGLVVFP-POHAHGRESA-N 298.338 3.609 30 20 CHED C[C@H](NCc1ccccc1F)c1cccc(C#N)c1 37212029 PRCWAKXWKKPOTL-LBPRGKRZSA-N 254.308 3.548 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1cccs1 37748780 DJSGEAJGWKIEQY-CQSZACIVSA-N 256.374 3.861 30 20 CHED C[C@@H]1CCCC[C@H]1CNCc1ccc(OCC#N)cc1 42858739 HPKWCXIJMFQXNT-ZBFHGGJFSA-N 272.392 3.505 30 20 CHED 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263.724 3.589 30 20 CHED N#CCCN1CCC(Sc2ccc(Cl)cc2)CC1 134855661 DSDYGWBQONMHJZ-UHFFFAOYSA-N 280.824 3.810 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1F 135668269 ZCECUKQROAIXLM-SECBINFHSA-N 278.327 3.749 30 20 CHED CCCCCCCC(=O)N[C@@H](CCO)c1ccccc1 150950839 RSNSBUPKNRVXJE-INIZCTEOSA-N 277.408 3.587 30 20 CHED CC(=O)Nc1cccc(NCCCC(C)(C)C#N)c1C 152983587 PPLYEPWHJQEMCJ-UHFFFAOYSA-N 273.380 3.695 30 20 CHED Cc1ccc(C(=O)OC[C@@H](C#N)Cc2cccs2)cc1C 153287852 MPLNYTBZNPBUPQ-CQSZACIVSA-N 299.395 3.904 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 156121977 KKTUKFYBHQRBFY-DKIMLUQUSA-N 296.414 3.669 30 20 CHED CCN(CC#Cc1cccc(Cl)c1)Cc1ccccn1 156848003 FMQAAKBRTXOWKL-UHFFFAOYSA-N 284.790 3.609 30 20 CHED N#CCCN(Cc1ccco1)Cc1cc(Cl)ccc1O 159579728 KZYFROWXQFHWCA-UHFFFAOYSA-N 290.750 3.554 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)Cc1cc(F)ccc1C#N 160313889 DWPPPVIIWTUSQB-LBPRGKRZSA-N 284.334 3.596 30 20 CHED CC[C@@H](CC#N)NCc1ccc(F)c(C(F)(F)F)c1 162585897 QWDCNODWKQFCKH-JTQLQIEISA-N 274.261 3.626 30 20 CHED N#Cc1cccc(COc2cccc(Cl)c2F)c1 167125586 FKBRVIKOHHDHJY-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C#N)CC1 171471906 TUXRLQBNRFTQRA-CVEARBPZSA-N 291.439 3.536 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc(CC#N)c1 171568290 TVICUHXRQHMCOG-UHFFFAOYSA-N 297.402 3.545 30 20 CHED C#CCCCNC(=O)c1sccc1-c1ccccc1 172945146 IVPSPKINYHKONH-UHFFFAOYSA-N 269.369 3.558 30 20 CHED COc1ccccc1C[C@H](C)N(C)Cc1ccccc1C#N 173004401 WKFBQACIMRJBEF-HNNXBMFYSA-N 294.398 3.630 30 20 CHED CC(C)(C#N)CCCN1CCO[C@H](c2ccc(F)cc2)C1 174816288 JYOCOWWOWALZFB-INIZCTEOSA-N 290.382 3.529 30 20 CHED CO[C@H](C)c1nc(CN(CCC#N)CCC(C)C)cs1 177689455 HMCAISOFQOAMGA-CYBMUJFWSA-N 295.452 3.612 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/C=C/c1ccc(F)cc1 178535480 SKGWGXSURNSSSL-YDFGWWAZSA-N 284.334 3.628 30 20 CHED Cc1cccc(C(=O)N(CC#N)c2ccccc2)c1Cl 178817230 HITHXTRHCVRIIJ-UHFFFAOYSA-N 284.746 3.819 30 20 CHED Cc1cc2occ(CC(=O)O[C@@H]3CC[C@@H](C#N)C3)c2cc1C 179985826 OZGAVCRQCBBMOQ-UKRRQHHQSA-N 297.354 3.828 30 20 CHED C=CC[C@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C 180178999 VWJMDKXBRSPVEL-WDEREUQCSA-N 277.799 3.842 30 20 CHED C=C(C)CN(C)C(=O)c1cncc(-c2cccc(C)c2)c1 180389338 PGUDXVWHJUVFFM-UHFFFAOYSA-N 280.371 3.705 30 20 CHED C=C(C)CN(C)[C@@H](C)C(=O)Nc1ccccc1C(C)C 181246237 ODGANVCSBZVHMM-AWEZNQCLSA-N 274.408 3.645 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC2(CCCC2)C1 181381726 AIYSRXHXRWEUJO-AWEZNQCLSA-N 264.413 3.707 30 20 CHED C=C(C)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 182612844 YCBGNIFRKWXVKQ-CQSZACIVSA-N 285.309 3.655 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(F)cccc1Cl 182657003 JZFDANKIPBDEQP-SNVBAGLBSA-N 269.747 3.954 30 20 CHED C=CCCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 182855605 ZZUQNLIGAYQRPB-LBPRGKRZSA-N 287.329 3.505 30 20 CHED N#CC1(COC(=O)c2csc(C3CC3)n2)CCCCC1 183721156 ANMSNFWMMZSGCE-UHFFFAOYSA-N 290.388 3.651 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)C[C@H](c2ccccc2)[C@@H]1C 185899720 VAALWFGNXYBLLP-BQFCYCMXSA-N 283.415 3.973 30 20 CHED CC[C@@H](CC#N)OC(=O)c1nc(-c2ccco2)sc1C 188110824 GGEHJTSCNYVXOV-JTQLQIEISA-N 290.344 3.561 30 20 CHED C#CCCCC(=O)N[C@H](c1ccccc1)C1CCCC1 192192088 IVKWCSLLRIKFFI-GOSISDBHSA-N 269.388 3.838 30 20 CHED C=CCCCCCSCc1nc([C@H](C)OC)no1 192540988 MOZIVAICTSWESR-NSHDSACASA-N 270.398 3.757 30 20 CHED Cc1ccc(CSc2nnc(C)c(C)c2C#N)cc1 193052322 RIUNXPDFRSZAOZ-UHFFFAOYSA-N 269.373 3.566 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1c(F)cccc1F 193764343 DBPNTKIQHLAXGG-WDEREUQCSA-N 284.302 3.550 30 20 CHED N#Cc1cccc(C(=O)Oc2ccc(Cl)cc2F)c1 193949055 OPMLDJZECXDBLD-UHFFFAOYSA-N 275.666 3.570 30 20 CHED CCCCCCCC(=O)Nc1ccc(OC)c(O)c1 195217029 ILXISCREURATBO-UHFFFAOYSA-N 265.353 3.700 30 20 CHED Cc1cc(Cl)ccc1CNCc1ccc(C#N)cc1 231746214 IIHVTYCGPSZGQV-UHFFFAOYSA-N 270.763 3.810 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H](Cc2ccccc2)C2CC2)C1 248939324 YQQLQFKIQKWAMD-KBAYOESNSA-N 268.404 3.680 30 20 CHED Cc1nnc(C)n1N=Cc1cccc(Oc2ccccc2)c1 263631911 CSPGMDKBWZOPIE-UHFFFAOYSA-N 292.342 3.569 30 20 CHED C=CCCC(=O)Nc1ccc(OCC(F)(F)F)cc1 263689975 REWKCRCZZWSSEU-UHFFFAOYSA-N 273.254 3.532 30 20 CHED C#Cc1cccc(N(C(=O)C2CCSCC2)C(C)C)c1 264855232 NZQJNRMNVJRMPR-UHFFFAOYSA-N 287.428 3.553 30 20 CHED Cc1cc(N[C@H](C)c2c(F)cccc2F)nn1CCC#N 271010976 JVMWKXIJEFOQGQ-LLVKDONJSA-N 290.317 3.557 30 20 CHED C[C@H](C#N)CN(C)Cc1c(Cl)oc2ccccc12 271119155 GWHQNABTNHTHSM-SNVBAGLBSA-N 262.740 3.678 30 20 CHED Cc1ccccc1[C@@H](NCCCSCC#N)C1CC1 272077617 VVJGXFJTPHRSST-INIZCTEOSA-N 274.433 3.683 30 20 CHED C=CCN(CCc1ccco1)Cc1cccnc1Cl 272214255 AWQBOBZUYOLDQW-UHFFFAOYSA-N 276.767 3.559 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCc4c(F)cccc43)CC2)c1 272318835 VJJQQJMRRBDASX-SFHVURJKSA-N 292.357 3.964 30 20 CHED C[C@@H](CN(CCC#N)Cc1ccccn1)c1ccc(F)cc1 275778682 XENATUZOTWURPG-HNNXBMFYSA-N 297.377 3.740 30 20 CHED C=CCCN(C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 276367345 JWJUNRXBCDQCHZ-ZDUSSCGKSA-N 285.309 3.757 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1c(F)cccc1Cl 279092748 WLJSSWFSKMCKAZ-SECBINFHSA-N 282.746 3.596 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1CSCC 279098727 SWDMMGLFFXAOJI-GFCCVEGCSA-N 263.406 3.634 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 279881819 DNELWUADQFQSNT-DOTOQJQBSA-N 287.378 3.772 30 20 CHED CCc1ccc(C(=O)/C=C/c2cn(C(C)C)nc2C)o1 280954750 JMIMJKCJJAXBOG-SOFGYWHQSA-N 272.348 3.824 30 20 CHED CC(C)C[C@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 281278449 RUMUHJZVPOTHJR-ZDUSSCGKSA-N 272.392 3.652 30 20 CHED C=CCOc1ccccc1CN[C@H]1CCC[C@@H]1CCOC 281997471 CTBORMYBBUWOOX-WBVHZDCISA-N 289.419 3.546 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC=CC[C@H]1C 284162924 FUYWTOZRKLPHKQ-CRAIPNDOSA-N 296.414 3.898 30 20 CHED CC[C@H]1CCc2nc(NC(=O)[C@](C)(C#N)CC)sc2C1 285006924 HGHVWKNVIMLEPC-BONVTDFDSA-N 291.420 3.536 30 20 CHED C=CCn1c(SCCCCF)nnc1-c1ccoc1C 285145704 LRFPVUWVDGJGET-UHFFFAOYSA-N 295.383 3.874 30 20 CHED C=CCCC(=O)Nc1ccccc1O[C@H](C)C(F)(F)F 287998952 BKSCXIKDGPJKLP-SNVBAGLBSA-N 287.281 3.921 30 20 CHED CC(C)(C#N)CCS[C@@H]1CCc2ccccc2NC1=O 289482040 XKKDJRDIUANTHS-CQSZACIVSA-N 288.416 3.613 30 20 CHED CCN(Cc1ccccc1)C(=O)[C@]1(C#N)CC12CCCC2 294566541 VADSWWAFAPWQLP-GOSISDBHSA-N 282.387 3.509 30 20 CHED CCC(=O)CCCN(Cc1ccc(C#N)cc1)C(C)C 295415584 DMJQGPWYISPHHQ-UHFFFAOYSA-N 272.392 3.528 30 20 CHED CC(C)(C#N)CCNc1ccc([C@H]2CCOC2)cc1 297565933 GJCRADWIBNPABB-AWEZNQCLSA-N 258.365 3.542 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 299222271 LHEGLDMVVBPAIG-BEFAXECRSA-N 292.382 3.520 30 20 CHED Cc1ccccc1C(C)(C)CNc1ccc(C#N)cn1 301157571 RZWXTCGVCJXPEF-UHFFFAOYSA-N 265.360 3.651 30 20 CHED Cc1cc(F)cc2c(N3CCC[C@@H](C)C3)c(C#N)cnc12 301345687 KFASBOXSAIVCDA-LLVKDONJSA-N 283.350 3.790 30 20 CHED CC(=O)c1ccc(Oc2ccc(Cl)c(C#N)n2)cc1 301507437 BXNLBFSGUNRKJC-UHFFFAOYSA-N 272.691 3.602 30 20 CHED Cc1cccc(C2(CNc3ccc(C#N)nn3)CCCC2)c1 301894361 BBNUBSIRJUUEDQ-UHFFFAOYSA-N 292.386 3.581 30 20 CHED N#Cc1cccc(C#N)c1N1CCc2c(Cl)cccc2C1 302466504 SPCTYHSGBGGDHE-UHFFFAOYSA-N 293.757 3.646 30 20 CHED Cc1cnc(NCCSCc2ccccc2C#N)s1 302815678 BPOQJGIILJGLQI-UHFFFAOYSA-N 289.429 3.669 30 20 CHED C=CCOC(=O)[C@@H](CC)Cc1cccc(Br)c1 303646307 CPLUMLSWGMHECJ-LBPRGKRZSA-N 297.192 3.747 30 20 CHED CSc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1 308127475 VYRXDDGGUQDGDZ-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C=C(C)CCNc1cccc(OC)c1Br 309077869 MTJXMFYGWQRCSD-UHFFFAOYSA-N 270.170 3.836 30 20 CHED COc1ccccc1C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 315779303 VMQJYPYSEPURSO-LSDHHAIUSA-N 294.398 3.849 30 20 CHED C[C@@H](NC(=O)c1cccc2cc[nH]c12)c1ccc(C#N)cc1 316582740 NGLUMINKSPMGDU-GFCCVEGCSA-N 289.338 3.531 30 20 CHED CC(C)c1scnc1N/C(O)=N/C[C@H]1CC1(C)C 329582645 VMPQMAQZKXHSBL-SECBINFHSA-N 267.398 3.639 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1cc(F)c(F)c(F)c1 330547100 VRMJDQFDCPVDAB-AWEZNQCLSA-N 284.281 3.737 30 20 CHED CC[C@@H]1CCCC[C@@H]1N/C(O)=N/CC[C@@H]1CCO[C@@H](C)C1 330866087 ZIIQBYYMMSTZDC-JJXSEGSLSA-N 296.455 3.664 30 20 CHED Cc1nc(Oc2ccc(C#N)cc2Cl)ccc1C#N 334454672 VNRFXHYUIIBSGM-UHFFFAOYSA-N 269.691 3.579 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N(C)C1CCCC1 335592863 ZROZCXGWYVKSGW-ZDUSSCGKSA-N 285.391 3.545 30 20 CHED Cc1csc(NC(=O)c2csc(Cl)c2)c1C#N 335993986 MFZNXDYPYOEUPB-UHFFFAOYSA-N 282.777 3.895 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCc3ccccc32)CC1 336214104 JUJDQGHHPLHATB-ARWYELJZSA-N 254.377 3.736 30 20 CHED CC1(C#N)CCC(N[C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 336219824 YYTFWSRLIQHYQP-KRIMKBQASA-N 278.440 3.642 30 20 CHED CC(C)CCN(CCC#N)Cc1cnc2ccccc2c1 337196156 WEMYYJPUSUHEFT-UHFFFAOYSA-N 281.403 3.997 30 20 CHED CSc1ccc(CNC(=O)c2cccc(C#N)c2C)cc1 337881733 VFZLRJZGRIXMLW-UHFFFAOYSA-N 296.395 3.519 30 20 CHED CC(C)CSCCCNc1ccc(C#N)cc1[N+](=O)[O-] 339362382 QFXMMOGRZNQTJB-UHFFFAOYSA-N 293.392 3.658 30 20 CHED CC(C)(CCC#N)CN1CCC(CC(F)(F)F)CC1 342835349 DNEQCZUJWSMYGY-UHFFFAOYSA-N 276.346 3.981 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)CC1(C#N)CC1 343323263 UMHQZIHXANAXQX-GFCCVEGCSA-N 262.784 3.507 30 20 CHED C[C@H]1CCN(CC2(C#N)CC2)c2ccccc2S1 343324286 WPKMJAFVPNPAIF-LBPRGKRZSA-N 258.390 3.681 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)c2cccc(O)c2)c1C#N 343512991 PTRCSNBSCXHQMA-JTQLQIEISA-N 287.750 3.794 30 20 CHED C[C@H]1CCN(Cc2ccc(CC#N)cc2)CC12CCC2 343719574 DXZAAFOWKXKJHP-HNNXBMFYSA-N 268.404 3.765 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC1CCC1)c1ccccc1 344310859 WPJPPRLRKDLFKI-WMZOPIPTSA-N 273.420 3.692 30 20 CHED C[C@@H](CC#N)N(C)CCOc1cccc(C(C)(C)C)c1 345919508 GXCODVLERPTFHY-AWEZNQCLSA-N 274.408 3.597 30 20 CHED CCCN(CC#N)C(=O)c1cn(CC(C)C)c2ccccc12 346485411 MCKVVKHIJPOPPJ-UHFFFAOYSA-N 297.402 3.673 30 20 CHED Cc1ccc2c(c1)CC[C@H]2Nc1nc(C)ccc1C#N 346832405 NEVKAZHEFUSZFF-MRXNPFEDSA-N 263.344 3.670 30 20 CHED CC#CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1 347560401 RFQHGULTGSUMOE-UHFFFAOYSA-N 270.351 3.510 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc2c(c1)COC2 348208819 VERSZZGTWKUXKL-CYBMUJFWSA-N 272.392 3.697 30 20 CHED COc1cccc(/C=C/c2ccncc2C#N)c1OC(C)C 349115311 XJVHQGZXDJLDDR-BQYQJAHWSA-N 294.354 3.919 30 20 CHED C[C@H](Sc1ccc(C#N)cn1)c1nc2ccccc2o1 349143632 MMXZMPUCLRMTEG-JTQLQIEISA-N 281.340 3.948 30 20 CHED C=CCn1c(C2CCC2)nnc1N(CC(C)C)C(C)C 350622987 JHWSBVWCMCCOGW-UHFFFAOYSA-N 276.428 3.602 30 20 CHED CC(C)(C)OCCCCSc1cc(C#N)ccn1 352917266 TULUQNFGSPBKKG-UHFFFAOYSA-N 264.394 3.641 30 20 CHED CCC[C@H](C)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 354569577 LCMMCGQQNALUJG-GOEBONIOSA-N 272.392 3.721 30 20 CHED CCCCn1ncc(NC(=O)[C@@](C)(C#N)CC)c1C(C)C 355096822 CVXMXABTGBGXDQ-MRXNPFEDSA-N 290.411 3.685 30 20 CHED N#Cc1ncccc1NCCSc1ccc(Cl)cc1 357315915 NUPRFJNLURHAEB-UHFFFAOYSA-N 289.791 3.811 30 20 CHED CC[C@H](C(=O)N[C@H](CC)CC#N)C1CCC(C)CC1 359602311 YGZPVINSABRAQT-CVSAEHQPSA-N 264.413 3.647 30 20 CHED C=CCCCSCCCS(=O)(=O)c1cccc(C)c1 361900588 NXDNPZFFBKAODZ-UHFFFAOYSA-N 298.473 3.858 30 20 CHED C=CCCCCCNc1ccc2c(c1)CN(C(C)=O)C2 365818866 HLRGIAADSAYSHB-UHFFFAOYSA-N 272.392 3.707 30 20 CHED CC(C)(CCNCc1ccc(C#N)cc1F)C1CC1 381218089 NEDXFDBTIFWUSR-UHFFFAOYSA-N 260.356 3.613 30 20 CHED Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2)c2c1CCC2 410528001 RMHIGMXPKOUMKB-UHFFFAOYSA-N 290.366 3.632 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 410554734 FTKQHMVZFUHKMF-TZMCWYRMSA-N 290.794 3.857 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N(CCC#N)C(C)(C)CC 410722985 DOZWARNWDITZRP-NSHDSACASA-N 292.345 3.896 30 20 CHED COCC1(C)CCN(CCC2(C#N)CCCCC2)CC1 411438273 BYSHFOPGJPWFFT-UHFFFAOYSA-N 278.440 3.599 30 20 CHED N#Cc1ccc(CN2CCSC3(CCC3)CC2)cc1F 411874059 FURPVPREXXNNIK-UHFFFAOYSA-N 290.407 3.559 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412136407 NRVZIOQYZAUBOT-DFEHZGFQSA-N 296.414 3.699 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 415690331 JIQKMSWYKSWBSC-DGCLKSJQSA-N 287.407 3.553 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N2CCc3cc(C#N)ccc32)C[C@H]1C 416014935 PYKYSTLIIOYJFW-XJKCOSOUSA-N 282.387 3.520 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C2CC2)cc1 417355051 NCGUBYZEVFRRGE-OGHNNQOOSA-N 254.377 3.907 30 20 CHED N#CCSCCCN[C@H](CC(F)F)c1ccccc1 420990843 GUIYVMVBZDSUFT-CYBMUJFWSA-N 284.375 3.619 30 20 CHED C=CCOCCCN[C@@H](CC(F)F)c1ccccc1 420994108 MTPGBRZATZZTHZ-AWEZNQCLSA-N 269.335 3.565 30 20 CHED CCCc1[nH]ccc1C(=O)N(CCC#N)CC(CC)CC 421763940 SHQHTLXBMZUDHV-UHFFFAOYSA-N 289.423 3.759 30 20 CHED C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)CC1CC1 425365766 MNSLDTDYEZCMQT-NSHDSACASA-N 282.309 3.829 30 20 CHED N#Cc1c(F)cccc1CSCc1ccc(CO)cc1 427674299 OFOQCBPLQLLPFT-UHFFFAOYSA-N 287.359 3.623 30 20 CHED C=CCN(CCc1ccco1)Cc1oc(C(C)C)nc1C 428357115 XHLYJONTOWJFTA-UHFFFAOYSA-N 288.391 3.930 30 20 CHED Cc1ccc(CC2CCN(CCCC#N)CC2)cc1C 428723088 ZBOPWZGDHGWLEY-UHFFFAOYSA-N 270.420 3.862 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)CC 429042797 RJNXCYVJRNDHAT-UHFFFAOYSA-N 289.379 3.515 30 20 CHED CC(C)(NCCOc1cccc(C#N)c1)c1ccccc1F 429264644 NGYMLHODDIKRKZ-UHFFFAOYSA-N 298.361 3.601 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccccc1OC(F)(F)F 430743563 LEGYPSALLJOPEV-NSHDSACASA-N 298.308 3.930 30 20 CHED N#Cc1nn(Cc2ccc(F)c(Cl)c2)c2ccccc12 432476628 KILSQYLASXWCIJ-UHFFFAOYSA-N 285.709 3.749 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 434378877 HESUGONUGGLLEW-UHOFOFEASA-N 290.382 3.726 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(OC)cc1O)c1ccccc1 443582916 ZEZXMECUYCHQBF-CYBMUJFWSA-N 297.354 3.699 30 20 CHED Cc1cc(CNCCO[C@@H]2CCCC[C@@H]2C)ccc1C#N 443969129 RKOGCDYBSYHAHY-KBXCAEBGSA-N 286.419 3.552 30 20 CHED C=CCCCCNC(=O)Nc1ccc(SC)cc1OC 446407876 ZIQZRABRXUFHSE-UHFFFAOYSA-N 294.420 3.895 30 20 CHED CCOC(=O)[C@@H](CC)SCC#Cc1cccc(Cl)c1 448111913 QNBBHEHIWMUJOU-CQSZACIVSA-N 296.819 3.766 30 20 CHED C[C@H](c1ccccc1)N(C)CC#Cc1ccc(F)cc1 448447283 NMFISSUBBXXRFH-OAHLLOKOSA-N 267.347 3.870 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccc(C)n2)CCCCC1 449920929 CZNXFAUTLVWLIF-UHFFFAOYSA-N 286.419 3.875 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)CCCC1 450055128 BGCFPWRJZHLLSP-JKSUJKDBSA-N 293.451 3.690 30 20 CHED CCN(C[C@H]1C[C@H]2CC[C@H]1O2)[C@H](C)c1ccc(C#N)cc1 450290069 VYRWQQRFLREERS-BNEJOLLZSA-N 284.403 3.509 30 20 CHED CC(=O)Nc1ccc(OCCCC(C)(C)C#N)c(F)c1F 451046359 UTBINGLDBWSRLM-UHFFFAOYSA-N 296.317 3.632 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccsc1Br 451428227 XXUCLUIJCBVIFH-QMMMGPOBSA-N 288.210 3.595 30 20 CHED C=CCC1(C(=O)N2CCC(CF)CC2)CCCCC1 452593136 FMJWIZWELZGHKZ-UHFFFAOYSA-N 267.388 3.721 30 20 CHED C=CC(C)(C)CNC(=O)CCC(=O)c1cc(C)ccc1C 452778141 PSBQEHJIBXBRCI-UHFFFAOYSA-N 287.403 3.595 30 20 CHED C=CCC[C@H](CO)N[C@H](CC)c1ccccc1OC(F)F 453377548 XXAHWTCBQGOHAN-TZMCWYRMSA-N 299.361 3.656 30 20 CHED CCCCN(CC)C(=O)C(C)(C)Cc1ccc(C#N)cc1 454209085 MVYNJCOJIIZFGO-UHFFFAOYSA-N 286.419 3.776 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1c(C)cccc1C 455324906 MKRCDAGPWGESHF-CQSZACIVSA-N 260.381 3.630 30 20 CHED CC1(C)CC=C(C(=O)N[C@H](C#N)c2ccccc2F)CC1 455417174 RYRGZBDERBQEDO-OAHLLOKOSA-N 286.350 3.643 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)Cc1cccc(F)c1 458737687 PNSYGDBVMNGWJV-CJNGLKHVSA-N 292.398 3.753 30 20 CHED C=CC[C@H]1N(C(=O)NCCC(C)(F)F)CCCC1(C)C 458883942 JUCCHDKOJBWNHA-GFCCVEGCSA-N 288.382 3.808 30 20 CHED C=CCCCN1CCC2(CC1)OCCc1ccccc12 459520699 KPHUEBDWPRHKMW-UHFFFAOYSA-N 271.404 3.517 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@]1(C)CC=CCC1 460006324 GHACIKZVYBMYGK-IBGZPJMESA-N 299.414 3.956 30 20 CHED CC1(C)CCCc2cc(C#N)c(NCCCCF)nc21 461868177 QTGMYQZZRQEPGI-UHFFFAOYSA-N 275.371 3.729 30 20 CHED C[C@H]1CCCCN1CCCNc1c(Cl)cccc1C#N 462921929 KQBCVJBRQMDZNP-ZDUSSCGKSA-N 291.826 3.888 30 20 CHED C=CCOCCCN(C)[C@H]1CCCC[C@H]1C(F)(F)F 463449115 HCVFSNLGRNJOCB-OLZOCXBDSA-N 279.346 3.632 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc2c(c1)CCCC2 464157978 MRTDEWCRSXZGEF-GOSISDBHSA-N 284.403 3.624 30 20 CHED C=Cc1ccc(CCNC(=O)N2CCCC[C@H]2C=C)cc1 464433867 MIKUZXJABDYCDX-QGZVFWFLSA-N 284.403 3.622 30 20 CHED C=C[C@H](C)NC(=O)NCC(c1ccccc1)c1ccccc1 464753932 RVKOOYMAWMIAHQ-HNNXBMFYSA-N 294.398 3.692 30 20 CHED O=C(NCC#Cc1ccccc1)NCCCCC1CCCC1 465565835 HAUVIFTZEVFIGN-UHFFFAOYSA-N 298.430 3.698 30 20 CHED CC1(C)C(C(=O)N[C@](C)(C#N)CCc2ccccc2)C1(C)C 469251996 WSZDHKKNQZGWEF-IBGZPJMESA-N 298.430 3.700 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1 473379508 MNEVYVVLDQFAAU-UHFFFAOYSA-N 295.382 3.919 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc(N(C)C(=O)NCC)c1 475509298 FXWQQGISTBFRJP-UONOGXRCSA-N 289.423 3.865 30 20 CHED CCOC(=O)[C@H](CC)SCc1ccc(Cl)cc1C#N 479097794 OLQWXYHCJOVWSQ-ZDUSSCGKSA-N 297.807 3.787 30 20 CHED C=CCCCC(=O)Nc1ccc(NC2CCOCC2)cc1 479577005 VSYWCGAEYJQWLM-UHFFFAOYSA-N 288.391 3.572 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 488569104 SIHARGKOVUZIDC-KCPJHIHWSA-N 292.810 3.912 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CSc1cc(C)ccc1C 488815232 AMZSCXUEKRTPPQ-OAHLLOKOSA-N 289.444 3.963 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 488884222 TWHUXWYMBILJIJ-VHDGCEQUSA-N 291.341 3.635 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)C1CCCC1 490003700 KJOMQXAGXPMSAP-UHFFFAOYSA-N 251.414 3.921 30 20 CHED C/C=C/C=C/C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 491543473 BPGDLKHKZDKKFH-CVDZTHMFSA-N 295.169 3.807 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1cc(C)oc1C 495173254 JSJDLUZQQVDZIZ-OCCSQVGLSA-N 276.380 3.708 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccc(F)cc1)C(C)C 501607024 OSKJGLWHRLUZPC-KRWDZBQOSA-N 275.367 3.833 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 511665385 JNXSEXNXWBCCKU-UONOGXRCSA-N 277.795 3.914 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC2 516896784 SJTUMCUYGZYKGU-SFHVURJKSA-N 280.346 3.517 30 20 CHED N#CC1(CCSc2nc3c([nH]2)CCC3)CCCCC1 518930604 ZQTWLLJSFJQWAX-UHFFFAOYSA-N 275.421 3.855 30 20 CHED CC#CCN(C)Cc1ccc(OC(C)C)c(Cl)c1 519005951 AOAPCIYDLIYDKF-UHFFFAOYSA-N 265.784 3.582 30 20 CHED C=CCCO[C@H](C)C(=O)N(CCC)Cc1ccc(C)cc1 520000177 GIVXVAWUIISSTB-MRXNPFEDSA-N 289.419 3.715 30 20 CHED C=CCOc1cccc(CNCC2(OCC)CCCC2)c1 520258959 NPEUEKGHGJRWNF-UHFFFAOYSA-N 289.419 3.690 30 20 CHED Cc1sc(CNCCC#N)nc1-c1ccc(Cl)cc1 521227527 NVZPJSCWSPDEAC-UHFFFAOYSA-N 291.807 3.775 30 20 CHED CCc1ccc(CCSc2nc(C)nc(C)c2C#N)cc1 524529351 HMHFUJCJJGUHRY-UHFFFAOYSA-N 297.427 3.862 30 20 CHED COCCC1CCN([C@H](C)c2ccc(C#N)cc2F)CC1 527930955 APGZEFRNGKLWCD-CYBMUJFWSA-N 290.382 3.507 30 20 CHED C[C@H]1CC[C@H](c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)O1 528235227 IPZFVITXYAEHND-SMDDNHRTSA-N 295.342 3.532 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(F)cc1C#N 534886192 QZOYHAZEDADSTE-SNVBAGLBSA-N 262.328 3.708 30 20 CHED C[C@H](N[C@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1 539508422 XKWRIXUYTULAQK-ZBEGNZNMSA-N 298.773 3.996 30 20 CHED C[C@@H](N[C@H]1COc2ccc(Cl)cc21)c1cccc(C#N)c1 540607692 URHCXLCEGIINLB-BZNIZROVSA-N 298.773 3.996 30 20 CHED C=CCSCCNC(=O)NCc1ccc(C(C)C)cc1 541887488 VEVASRICLNPIMG-UHFFFAOYSA-N 292.448 3.528 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)C1 541959985 GURAUGFGHPXOIS-RISCZKNCSA-N 290.794 3.847 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1ccc(F)cc1Cl 543876516 PWLUWNAMTMIRKE-ZDUSSCGKSA-N 298.789 3.676 30 20 CHED COc1cc(C#N)ccc1NC(=O)N[C@H](C)CCC(C)C 545294349 FWOZZYUQRSQBER-GFCCVEGCSA-N 289.379 3.513 30 20 CHED C=CCOCCN1CCc2c(ccc(Cl)c2Cl)C1 549806805 SXEPBQOKQLNQIZ-UHFFFAOYSA-N 286.202 3.554 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C)c(NC(C)=O)c2)n1 551138250 OYXYTPZIVGVMBY-UHFFFAOYSA-N 299.374 3.857 30 20 CHED C=CCC[C@H](CCC)NCc1noc2c1CCCC2 561985611 GWGKAYHIBNALCN-ZDUSSCGKSA-N 262.397 3.778 30 20 CHED CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)C#N 563994054 ORRMQMQATWCQRF-LRDDRELGSA-N 292.810 3.573 30 20 CHED N#CC1(CNC(=O)Nc2cccc3ccsc23)CCC1 564095162 RDJOAPPGLSWDTR-UHFFFAOYSA-N 285.372 3.717 30 20 CHED CCC(CC)CN(CCC#N)CCc1cccc(C)n1 564565157 VSBXQLYMUWQWHW-UHFFFAOYSA-N 273.424 3.584 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C(=O)O)c1ccsc1 565104801 PLDAIYYZTNRIJE-OAHLLOKOSA-N 293.432 3.942 30 20 CHED C=CCC[C@H](C(=O)NCc1ccc(C)cn1)c1ccccc1 568985591 BMVZISVFWGRXGG-SFHVURJKSA-N 294.398 3.756 30 20 CHED C[C@H]1CCC[C@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 571936227 UAMRDFIDQJIXSW-KBPBESRZSA-N 288.366 3.899 30 20 CHED C=CCN(Cc1cncc(F)c1)CC1CCCCC1 577086686 AJRXOYAWABTFPX-UHFFFAOYSA-N 262.372 3.789 30 20 CHED Cc1cc(S[C@H]2C[C@@H](C)CCC2=O)ccc1C#N 578323007 WUOLYURLGCQNSW-BONVTDFDSA-N 259.374 3.717 30 20 CHED Cc1csc(NC(=O)N2CCCC(C)(C)C2)c1C#N 578334337 JOKDQMIOAVWZNG-UHFFFAOYSA-N 277.393 3.582 30 20 CHED C=CCCCCSc1ccc(C(=O)N2CCCC2)cn1 578412467 FZLJXAKNZYATHY-UHFFFAOYSA-N 290.432 3.766 30 20 CHED CC[C@@H](Cc1ccccc1-c1ccc(C#N)s1)C(=O)O 579973007 RYFASFGLIKAXAQ-NSHDSACASA-N 285.368 3.940 30 20 CHED C=CCCCOc1c(C(=O)OCC)cnc2ccccc12 580014377 JSYSXXABDSVWHK-UHFFFAOYSA-N 285.343 3.757 30 20 CHED Cc1c(Cl)cnc(N[C@H]2c3ccccc3O[C@@H]2C)c1C#N 583166582 YYHBURBQLJILRR-MEBBXXQBSA-N 299.761 3.849 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2cccc(C#N)n2)n1 590285325 MOHKWTFSRLIORL-DGCLKSJQSA-N 282.347 3.687 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(C#N)c(Cl)c1 590759519 DYLMHBIZSFSWPV-BDJLRTHQSA-N 290.794 3.654 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)Nc1cccc(C#N)n1 592267491 NGGCDWNCJRRVCX-CQSZACIVSA-N 286.379 3.530 30 20 CHED Cc1cc(SCCc2scnc2C)ccc1C#N 592355571 YIVNGPPBCZGXFG-UHFFFAOYSA-N 274.414 3.966 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCC(C)(C)CCC#N 592631281 DORMQZNQTNYIGE-QWHCGFSZSA-N 264.413 3.505 30 20 CHED Cc1cc(-c2ccc(NC(=O)C(C)(C)C)nc2)ccc1C#N 592985371 GTEKIAPCEREAAY-UHFFFAOYSA-N 293.370 3.913 30 20 CHED CN(C(=O)C[C@@H]1CCCCC1(C)C)c1ccc(C#N)nc1 593273179 IQCRMQDYDPBYLY-ZDUSSCGKSA-N 285.391 3.523 30 20 CHED CC[C@H](CC#N)NCc1csc(C2CCCC2)n1 594009507 ZKNQOBPJIZXGIR-GFCCVEGCSA-N 263.410 3.583 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C1=C(c2ccccc2)CCCC1 594093156 ZNMFENFQUWZUAC-HNNXBMFYSA-N 282.387 3.775 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H](C)c1ccc2ccccc2c1 594096720 GUTPDWZCYVVGAO-GUYCJALGSA-N 280.371 3.704 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCSc3ccccc32)cc1 595058228 ZTQXLAXTODRIMT-QGZVFWFLSA-N 294.423 3.927 30 20 CHED CC(C)(C)OCCCN[C@H]1CCCc2cc(C#N)ccc21 595076261 GLFHDQMWHNEDNX-KRWDZBQOSA-N 286.419 3.730 30 20 CHED N#C[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccccc1 595425427 RVZFXEPWYCVQRC-QZTJIDSGSA-N 262.356 3.992 30 20 CHED N#CC[C@H]1CCCN(CC[C@@H]2CCc3ccccc32)C1 595616911 PHSCBNOSMMUMPV-WBVHZDCISA-N 268.404 3.732 30 20 CHED C[C@H]1C[C@@H](C)CCN(c2nc(C#N)c(Cl)s2)C1 596173009 OKEAFXQRKFNHMU-IUCAKERBSA-N 269.801 3.541 30 20 CHED Cc1ccc(C#N)nc1N1CCS[C@@H](c2ccccc2)C1 596174217 CSWZIEHZPZOBAL-MRXNPFEDSA-N 295.411 3.556 30 20 CHED C=C(C)CCc1noc(CC2(C#N)CCCCC2)n1 596598057 JBJDXLIQZHBPMH-UHFFFAOYSA-N 259.353 3.595 30 20 CHED C=CCCSCCNC(=O)[C@H](CC=C)c1ccccc1 597966898 FERARFRGVDGHES-MRXNPFEDSA-N 289.444 3.772 30 20 CHED CCCCc1nc2ccccc2n1C[C@@H](O)CC(C)(C)C#N 598704751 SJDXJVUYLXKTTG-AWEZNQCLSA-N 299.418 3.680 30 20 CHED C=CC1CCN(C(=O)NC[C@H](CC)CCCC)CC1 600839971 AHAUGVHZOVJMTI-OAHLLOKOSA-N 266.429 3.810 30 20 CHED Cc1cc(C(=O)N(CC#N)c2ccc(F)cc2C)c(C)o1 602393712 HDYKTXSWGNMXTJ-UHFFFAOYSA-N 286.306 3.514 30 20 CHED CCc1nc(C)c([C@H](C)N(C)C[C@H](C)CCC#N)s1 602471233 KUHXKWDCCQHMPC-YPMHNXCESA-N 279.453 3.947 30 20 CHED C[C@@H](CCC#N)CNCC1(c2ccc(F)cc2F)CC1 602576196 JHIUVZUIAMJEOZ-LBPRGKRZSA-N 278.346 3.526 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)CCC1CCCCC1 604899493 HORMFSGFUFAGPW-UONOGXRCSA-N 266.429 3.999 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1c(F)cccc1F 604901020 TVAPKIKYYOGDEF-GHMZBOCLSA-N 282.334 3.632 30 20 CHED Cc1ccc(CCSc2cc(C#N)ccn2)cc1 609852038 JAIVWQOZHKACME-UHFFFAOYSA-N 254.358 3.597 30 20 CHED CC(C)(C)OC(=O)CCCCNc1ccc(F)cc1C#N 611338487 FZAKXSCHQCDAHP-UHFFFAOYSA-N 292.354 3.621 30 20 CHED CC[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)C1CCCCC1 612119237 VUFPTOKOJHYIHE-DOTOQJQBSA-N 291.439 3.681 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 612243463 TWOWTXPGDLXYKO-SFHVURJKSA-N 294.354 3.712 30 20 CHED Cc1cccc2c1CC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 613254420 KFRIPLUTMCSDAQ-KEYYUXOJSA-N 254.377 3.654 30 20 CHED C=CCCOCC(=O)N[C@@H](c1ccccc1)C1CCCC1 620239433 LVMGRUCEXRVVDD-SFHVURJKSA-N 287.403 3.627 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1c(C(C)=O)ccc2ccccc12 622938808 GZNLZYSFHQUBTF-SFHVURJKSA-N 294.354 3.921 30 20 CHED C=CCC1(NC(=O)[C@@H](OC)c2ccc(F)cc2)CCCC1 628112440 PDGBSAQWNKUDLE-HNNXBMFYSA-N 291.366 3.518 30 20 CHED CC#CCN[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 646062614 UEPGWIBGXBRDPH-CYBMUJFWSA-N 284.256 3.523 30 20 CHED C=CCC1(N[C@@H](C)Cc2ccc(Cl)cc2)CCOCC1 657633603 SCLNZXDRGMLLMP-AWEZNQCLSA-N 293.838 3.986 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC1CCN(CCC)CC1 657823077 IHZXTECDUSQVTE-NVXWUHKLSA-N 264.457 3.585 30 20 CHED C=CCCNC(=O)NCc1ccc(C)cc1OC(C)(C)C 660868184 HPWSJXKHKBOZCC-UHFFFAOYSA-N 290.407 3.548 30 20 CHED C=CCCNC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 665926013 AOPOZPFFNZCXAY-UHFFFAOYSA-N 289.162 3.700 30 20 CHED C=CCCC1(CNC(=O)Nc2ncc(C)o2)CCCC1 666226969 XYXNPKMTLFIQQE-UHFFFAOYSA-N 277.368 3.631 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnccc1SC 675157723 JGPWGTUMIGXSIM-UHFFFAOYSA-N 262.378 3.510 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H]1CCc2ccccc21 684939699 UUTUFNDNDPVMOK-HUUCEWRRSA-N 257.377 3.577 30 20 CHED CC1(NC(=S)Nc2ccc(C#N)c(Cl)c2)CCCC1 726481150 XXWXHRLRKUBLRZ-UHFFFAOYSA-N 293.823 3.831 30 20 CHED C=CC[C@@H](C)C(C)=NNC(=S)Nc1ccccc1OC 727777653 USPKLIZTOHJKIB-LLVKDONJSA-N 291.420 3.570 30 20 CHED CCOc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)cc1 727972667 CDDFDXPDICQPII-UHFFFAOYSA-N 299.330 3.748 30 20 CHED Cc1c(NN=C(C(C)C)C2CC2)cccc1[N+](=O)[O-] 727973071 CIGOZZWLPRGPNG-UHFFFAOYSA-N 261.325 3.737 30 20 CHED COc1ccc(/C=C2/Cc3c(C)cccc3C2=O)cc1O 729151330 RHRUPYDEPIBLFM-JYRVWZFOSA-N 280.323 3.532 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=S)N(CCC#N)CC(C)(C)C 729646159 OJSGRVNWJHUSOZ-ZIAGYGMSSA-N 295.496 3.701 30 20 CHED C=CC[C@H](NC(=O)/C=C/c1ccccc1F)c1ccncc1 734456863 DOYOMMXWZPDMMK-IJDCCNJMSA-N 296.345 3.668 30 20 CHED N#CCc1cccc(C(=O)OCc2ccc3c(c2)CCC3)c1 734576955 YICPRPVSFONKQT-UHFFFAOYSA-N 291.350 3.598 30 20 CHED N#C[C@@H](C(=O)CCC1CC1)c1ccc2ccccc2n1 734706217 WASABXSHSIGXEG-CQSZACIVSA-N 264.328 3.601 30 20 CHED N#Cc1cc(NC(=O)/C=C/C2CCCCC2)ccc1F 735439872 YQPOERVTHXAGMT-RMKNXTFCSA-N 272.323 3.772 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N(CC#N)C2CCCC2)cc1C 737642633 ZGZPPWWEIUVVLW-HJWRWDBZSA-N 296.414 3.920 30 20 CHED CCCCCCCC(=O)N(C)[C@@H]1CCN(CC)[C@H](C)C1 740841639 VIUCTPOEJBVSPT-HZPDHXFCSA-N 282.472 3.678 30 20 CHED C=CCOc1ccc(OC(=O)C[C@@H](C)C2CC2)cc1 742861602 AKDMYKOOMLVKFS-GFCCVEGCSA-N 260.333 3.593 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H](C)c1ccc(C)o1 744026799 XKURVPJQHIOYAW-LBPRGKRZSA-N 299.326 3.568 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)CCOc2ccccc2)c1 744460125 BBIGWCHXOWKELD-HNNXBMFYSA-N 293.366 3.712 30 20 CHED CC(=NNc1nccnc1Cl)c1coc2ccccc12 747750653 WMGMOHPFFBNUNZ-UHFFFAOYSA-N 286.722 3.712 30 20 CHED Cc1ccnc(NN=Cc2cccc(-c3ccccn3)c2)c1 747765633 FWHBTWKLZLNVEB-UHFFFAOYSA-N 288.354 3.898 30 20 CHED C=CCCCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 748286926 DCFNJDUFLBKEON-UHFFFAOYSA-N 288.435 3.848 30 20 CHED C=CCCCC(=O)Nc1nc(-c2ccc(F)cc2)ns1 748313750 JXIRHPRWVWZUKU-UHFFFAOYSA-N 291.351 3.639 30 20 CHED CCCCCC[C@H](C)C(=O)N(CCC#N)CC(F)(F)F 748805091 YCWKJMXGPRSKDP-LBPRGKRZSA-N 292.345 3.897 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)nc1)C2 749005932 OLFUUKNFXDYBII-SDQBBNPISA-N 285.730 3.566 30 20 CHED CN(C(=O)/C=C/Sc1ccccc1)c1ccc(C#N)cc1 749150945 PKYIUFKAIKNEKW-VAWYXSNFSA-N 294.379 3.827 30 20 CHED Cc1cccc(NN=C[C@@H]2CCOc3ccccc32)c1 752156877 IJUFRIUQDWUKRI-AWEZNQCLSA-N 266.344 3.959 30 20 CHED CCCc1ccc(OC(=O)c2cc(C#N)cs2)cc1 752225959 AUUAAQUVQJGJAY-UHFFFAOYSA-N 271.341 3.791 30 20 CHED C[C@@H]1CC/C(=C\C(=O)O[C@H](C)c2ccc(C#N)cc2)C1 753644681 RVUZNSKMIAXNSP-WYMRFSOBSA-N 269.344 3.909 30 20 CHED C#CCCCN[C@@H](c1cccnc1)c1ccc(F)c(C)c1 753662716 KFTNDNWWKDRRNA-GOSISDBHSA-N 282.362 3.622 30 20 CHED C=CC[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 754340644 FYOOINWTDINAHN-HJWJTTGWSA-N 254.377 3.501 30 20 CHED CC/C(=C/C(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(C)cc1 754391468 JXLAKQOOCJABFR-QBOMHBFWSA-N 284.403 3.843 30 20 CHED CCCCCCCCNC(=O)NCC1(CC)CCOCC1 754863358 CUIJZEXMMQINBP-UHFFFAOYSA-N 298.471 3.853 30 20 CHED C=CCOc1cccc(CNCc2ccc(C)c(F)c2)c1 755071595 QHKSPDQEUKISKA-UHFFFAOYSA-N 285.362 3.989 30 20 CHED CC(C)(C=NNCc1cccc(Cl)c1)CCC#N 755771783 YZYAVIIVTFBKMM-UHFFFAOYSA-N 263.772 3.745 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1csc(CCC)n1)OCC 756478351 DKUNYQJGSHTGBY-CYBMUJFWSA-N 297.420 3.510 30 20 CHED CC[C@H](/N=C/c1c(O)cccc1OC)c1c(C)noc1C 756845031 AWISPXAFTLQNKM-YRUBURHZSA-N 288.347 3.576 30 20 CHED C#CC[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 756997199 WCKUHBFTYGBFOP-CQSZACIVSA-N 286.356 3.511 30 20 CHED C#CCCCCNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 758895342 YKYYXLACPYXGPH-INIZCTEOSA-N 284.403 3.583 30 20 CHED CCOc1ccccc1/C=C1/Cc2c(OC)cccc2C1=O 759652412 JFMILLLTHGMSGZ-KAMYIIQDSA-N 294.350 3.916 30 20 CHED CC#CCOC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 759838500 ZXZAWVJGNPYLGO-UHFFFAOYSA-N 286.371 3.551 30 20 CHED Cc1cc(C=NNc2ccccc2[N+](=O)[O-])c(C)s1 760215300 GLYWQPHONJMLMS-UHFFFAOYSA-N 275.333 3.719 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)[C@H](C#N)c1ccncn1 760333769 MHKAHAGPDDCTLS-HUUCEWRRSA-N 285.391 3.649 30 20 CHED CC(C)CC(CC(C)C)=NNc1ccc(C(=O)O)cn1 763370999 XGISXICGCWSLAP-UHFFFAOYSA-N 277.368 3.640 30 20 CHED CC#CC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C 764053034 CAXJNYCUEMVNGM-KRWDZBQOSA-N 271.404 3.821 30 20 CHED CCC[C@@H](C(=O)[C@H](C#N)c1nc2c(C)ccnc2[nH]1)C(C)C 764655252 JGWVZXZIGRKUTO-OLZOCXBDSA-N 298.390 3.515 30 20 CHED CC(C)[C@@H]1CCCCC1=NNC(=S)Nc1cccnc1 764667305 ZCMZCVQGNFWWBJ-ZDUSSCGKSA-N 290.436 3.570 30 20 CHED FC(F)(F)CON=Cc1ccc(N2CCCCC2)cc1 764846472 IYQZIWVZINFXHE-UHFFFAOYSA-N 286.297 3.590 30 20 CHED Cc1c([C@H](C)NCc2ccc(C#N)cc2)cccc1[N+](=O)[O-] 765011450 BRTRHRJXSAPANA-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED C=CCC[C@@H](CCC)NC[C@](C)(O)c1cc(C)oc1C 766153634 XDLVJCCIOJHFLY-WBVHZDCISA-N 279.424 3.828 30 20 CHED C#CCC1(C(=O)Nc2ccc(COC)cc2)CCCCC1 767185139 RWPLDOYXDADDJM-UHFFFAOYSA-N 285.387 3.745 30 20 CHED CCON=C(CC)c1ccc(Br)cc1 767468981 INJVILDEFNDKSW-UHFFFAOYSA-N 256.143 3.600 30 20 CHED C#CCCN(Cc1ccc(SC)cc1)CC(F)(F)F 767900485 UAFHACKQDWYNCS-UHFFFAOYSA-N 287.350 3.796 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)c1ccccc1 767984489 RVYFLRIUHAVKMB-UHFFFAOYSA-N 279.339 3.845 30 20 CHED C#C[C@@H](CC)OC(=O)c1cc(-c2ccccc2Cl)on1 768059902 CGDZOENGDLJBLB-JTQLQIEISA-N 289.718 3.564 30 20 CHED CC(=O)c1cccc(C(=O)OCCCCC(C)(C)C#N)c1 768772055 UCQSOCPBRHFFLQ-UHFFFAOYSA-N 287.359 3.766 30 20 CHED O=C(/C=C\c1csc(-c2ccccn2)n1)c1cscn1 769262388 BBLABGKVHODAEF-PLNGDYQASA-N 299.380 3.558 30 20 CHED C#CCCOc1ccc(CN(C)[C@@H](C)CCSC)cc1 769464259 YDESPDSNCMRZKH-HNNXBMFYSA-N 291.460 3.662 30 20 CHED CC/C=C(/C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 769510261 OPJSIJTVUNAUCL-QPEQYQDCSA-N 276.424 3.958 30 20 CHED C#C[C@@H](C)N(C)Cc1csc(Nc2ccccc2C)n1 769960672 GFTGRGGIJKGUQO-CYBMUJFWSA-N 285.416 3.649 30 20 CHED N#Cc1cccc([C@@H]2CN(CC3CCCCCC3)CCO2)c1 770386801 VGJHJPCLZNROGO-IBGZPJMESA-N 298.430 3.902 30 20 CHED Cc1ncc(CCNc2ccc(Cl)cc2C#N)s1 771926721 IWJBFWKGELHAIA-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CCC(=NNc1ccc(F)cc1)c1ccc(C#N)cc1 772989321 FHWCEIALPLDIQY-UHFFFAOYSA-N 267.307 3.924 30 20 CHED CC(C)c1nccnc1NN=Cc1cc(Cl)ccc1F 773090577 IPFFODQSRJKJHT-UHFFFAOYSA-N 292.745 3.839 30 20 CHED CC(Cc1ccccc1F)=NNc1nccnc1C(C)C 773093702 NVMZGHGJHIHQEP-UHFFFAOYSA-N 286.354 3.770 30 20 CHED C=C(Cl)CNC(=O)c1c(C)c(CC)nc2ccccc12 773996311 VIPOJSNVYFPTAX-UHFFFAOYSA-N 288.778 3.588 30 20 CHED O=C(O)c1cccc(/C=C2/CCc3cc(F)ccc3C2=O)c1 774133004 ZGJGNIXMKAEXTF-JYRVWZFOSA-N 296.297 3.736 30 20 CHED CSc1ccc(Cl)c(C(=O)OCC2(C#N)CC2)c1 775829427 ZDMKEEVKCIUWIM-UHFFFAOYSA-N 281.764 3.522 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C1CCCCC1)C(F)(F)F 775995688 PMMRVTFPPOUIKH-SNVBAGLBSA-N 298.736 3.549 30 20 CHED Cn1c(C(=O)O[C@@H](C#N)C2CCCCC2)cc2ccccc21 776380899 OGRWIJDMQHITHN-KRWDZBQOSA-N 296.370 3.808 30 20 CHED FC(F)(F)CCON=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 777459754 LJZJLMHAIIRMOK-DBIOUOCHSA-N 261.287 3.768 30 20 CHED Fc1ccc(F)c2c1CCC2=NOCCC(F)(F)F 777460561 PTOUFPNLAFCAGY-UHFFFAOYSA-N 279.208 3.584 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)[C@H]1CCCOC1 779759932 LFKFHUPIPCTBDG-VIFPVBQESA-N 288.178 3.603 30 20 CHED CCC1(C(=O)OCc2ccc(Cl)cc2C#N)CCC1 780039343 DQXIOMYZSZQWDK-UHFFFAOYSA-N 277.751 3.835 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 781187008 LYCAWZUIXNUFDQ-UONOGXRCSA-N 288.391 3.910 30 20 CHED COc1ccc(/C=C2\CCOc3cc(F)ccc3C2=O)cc1 781555267 DQWSLSMTESHMDY-JLHYYAGUSA-N 298.313 3.883 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2CCC(C)(C)C2)c1 781631897 RYCLUCBGNOBFDQ-HNNXBMFYSA-N 269.388 3.847 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cc(F)c(F)c(F)c1 782289148 UACZATAAHZPTIT-LBPRGKRZSA-N 270.298 3.606 30 20 CHED N#Cc1ccsc1NC(=O)CCCc1ccsc1 783376701 DWWYFELQRJDZEE-UHFFFAOYSA-N 276.386 3.643 30 20 CHED Cc1cc(Cl)ncc1OCc1ccc(CC#N)cc1 784053093 IEODPCGAXKZLED-UHFFFAOYSA-N 272.735 3.689 30 20 CHED Cc1ccc(-c2cnc(COC(=O)CC(C)(C)C#N)o2)cc1 785095914 KSLNTMOIWSDDTF-UHFFFAOYSA-N 298.342 3.633 30 20 CHED C#CCCNC(C)(C)Cc1ccc(C(F)(F)F)cc1 785531178 ZKJZUDHCZZQANG-UHFFFAOYSA-N 269.310 3.639 30 20 CHED C1CCC2(CC1)CCC(=NNC1CCOCC1)CC2 786035535 CMDRSZNMKPTSAN-UHFFFAOYSA-N 264.413 3.636 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(C)c(-n2cccc2)c1 787087460 RNAXBEWWPQHSME-HNNXBMFYSA-N 282.343 3.635 30 20 CHED CCOCCC=NNc1nc(Cl)c(Cl)cc1Cl 788416047 VCRBDZITQQHIBA-UHFFFAOYSA-N 296.585 3.866 30 20 CHED Cc1ccc2nc(/C=C3\CCc4ccccc4C3=O)cn2c1 789126743 HTIBNWLGGJGTBK-XNTDXEJSSA-N 288.350 3.855 30 20 CHED CC(C)(C)c1cnc(/C=C\C(=O)c2cncc(F)c2)s1 790601353 UATNTHXNFNBKLT-PLNGDYQASA-N 290.363 3.871 30 20 CHED C[C@H](NN=Cc1cccc(OC(F)F)c1)C(C)(C)C 793118014 ZBJVUHYZIZRYAQ-JTQLQIEISA-N 270.323 3.646 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc(C(F)F)cc2)n1 794515134 IWRRGMGEYUIVPJ-UHFFFAOYSA-N 296.708 3.822 30 20 CHED CSCCON=Cc1csc(-c2ccc(C)cc2)n1 794573854 NJMFEMLESBQPED-UHFFFAOYSA-N 292.429 3.832 30 20 CHED CCOc1ccc(O)c(/C=N/CCCc2cccc(C)n2)c1 794680505 OJDXHAQBBPZCNS-CPNJWEJPSA-N 298.386 3.546 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1F)c1ccnc(F)c1 794720648 SEKRTFMAIIGHCM-RJRFIUFISA-N 279.673 3.909 30 20 CHED N#Cc1ccc(C(=O)OCC2(c3ccccc3)CCCC2)o1 797142997 FKVONSJEEQNEFY-UHFFFAOYSA-N 295.338 3.820 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)CCCC(F)(F)F)cc1C#N 799376539 ZNEILLOUTZSXOO-NSHDSACASA-N 298.308 3.718 30 20 CHED CCc1cc(C#N)ccc1OCc1ccc(Cl)nc1 799589664 XQZLGXIIJLXUKO-UHFFFAOYSA-N 272.735 3.748 30 20 CHED CC#CCCCC(=O)OC[C@H](OC)c1ccc(Cl)cc1 801309186 JRNJPALPRNQBEA-HNNXBMFYSA-N 294.778 3.764 30 20 CHED CCCCCCCCCN(C)C(=O)c1coc(C)n1 801608043 QQDKWWWRMIVGRM-UHFFFAOYSA-N 266.385 3.806 30 20 CHED CC(C)(C)CCC(=NOC[C@H]1CCOC1)c1cscn1 807984292 LBCAMWHEDUTCNT-LBPRGKRZSA-N 296.436 3.727 30 20 CHED C#CCCCN[C@H](C)Cc1ccc(F)cc1Br 808390938 FBGAILYWESJVET-LLVKDONJSA-N 298.199 3.522 30 20 CHED C#Cc1ccc(CNC(C)(C)c2ccccc2OC)cc1 809425162 UDJGLDCYBQZEEO-UHFFFAOYSA-N 279.383 3.701 30 20 CHED C#Cc1ccc(CNCCc2csc(C(C)C)n2)cc1 809611917 CCFBYPVFXLXYFR-UHFFFAOYSA-N 284.428 3.580 30 20 CHED C=CCCCCOC(=O)CCC(=O)c1ccc(F)cc1F 811010361 QVAKAIKPRTUOKW-UHFFFAOYSA-N 296.313 3.827 30 20 CHED CCCCCCCCC(=O)N1CC(C)(CCOC)C1 811580927 REROCXMNSNSMIJ-UHFFFAOYSA-N 269.429 3.622 30 20 CHED Cc1cc(C=NOC2CCC2)c(C)n1Cc1ccco1 812236035 URZHAMXPXDWIIU-UHFFFAOYSA-N 272.348 3.649 30 20 CHED CC(=NOC1CCC1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 812236153 XGOVKTFLUQPDCT-NSHDSACASA-N 276.336 3.718 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(C3CCCC3)cc2)cn1 812241157 DQLRKRRMJQYWEX-DHZHZOJOSA-N 280.371 3.974 30 20 CHED COc1cccc(O)c1C=NNc1ccccc1Cl 812486733 FFRTUOBZBMYDKR-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H]1CCCCC12CCCC2 812561842 DGRGZARYZSUYGW-SFHVURJKSA-N 295.426 3.830 30 20 CHED C1CC2(CCO1)CCC(=NOCCC1CC1)CC2 814246697 VVEWKBILDMPATL-UHFFFAOYSA-N 251.370 3.530 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)cs1 814419983 GWRFDLMYCDCUCD-UHFFFAOYSA-N 257.786 3.734 30 20 CHED Cc1cc(Cl)cc(C=NNc2cncc(Cl)n2)c1 814797985 UPUIZGSSEBAGDD-UHFFFAOYSA-N 281.146 3.538 30 20 CHED COCCN(C)N=Cc1sc2c(Cl)cccc2c1C 814926167 KJYJNXHDPXCUPG-UHFFFAOYSA-N 296.823 3.775 30 20 CHED Brc1cc2c(s1)CCC2=NOC1CCC1 814936482 UWOSYMOLRPWGBM-UHFFFAOYSA-N 286.194 3.730 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2[nH]c(C)cc2c1 814979476 PRDLDFAYNXPARE-UHFFFAOYSA-N 264.275 3.626 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H]1CCOc2ccc(CC)cc21 816022055 JNIWDOINZBNCPS-CQSZACIVSA-N 296.313 3.827 30 20 CHED C[C@H](NN=C1CC(C)(c2ccccc2)C1)c1ccncc1 819815072 LNFSOOFSBZGJAL-PIVQAISJSA-N 279.387 3.840 30 20 CHED C=CC[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccncc1 830263679 HCVSRPGNBKZDPZ-SFHVURJKSA-N 296.414 3.716 30 20 CHED Cc1sccc1/C=C\C(=O)c1c(C#N)c2n(c1C)CCC2 834425530 VZNIQLCSKQIBEU-WAYWQWQTSA-N 296.395 3.880 30 20 CHED C=CCC1(C(=O)OCc2cn3ccccc3n2)CCCC1 835196077 GHFDWLHWOXTJQJ-UHFFFAOYSA-N 284.359 3.514 30 20 CHED C[C@@H](C#N)COC(=O)C1=C(c2ccccc2)CCCC1 835238105 IZEWXPOCHRJTPM-ZDUSSCGKSA-N 269.344 3.717 30 20 CHED CC(C)(C(=O)OCCCC#N)c1cccc2ccccc12 835265501 QJOXSYPMRGJCMB-UHFFFAOYSA-N 281.355 3.964 30 20 CHED C=CCC[C@@H](C)OC(=O)CCCC(=O)C(C)(C)C 835267069 GZZMZRSESATGCK-GFCCVEGCSA-N 254.370 3.670 30 20 CHED C=CCCOCC(=O)O[C@H]1C[C@@H](c2ccccc2Cl)C1 835967716 PUWYQSSZWFXSPH-BETUJISGSA-N 294.778 3.722 30 20 CHED COc1ccccc1CON=Cc1c(F)cccc1F 836649173 VSOZXXQVNXVTLU-UHFFFAOYSA-N 277.270 3.524 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1ccccc1Cl 837312457 PIXSDTPRHSDZIX-NSHDSACASA-N 263.768 3.567 30 20 CHED Cc1c([C@H](NC(=O)C#CC2CC2)C(C)C)oc2ccccc12 837413029 NQZMFYXXISIHBQ-GOSISDBHSA-N 295.382 3.968 30 20 CHED Cc1c(CSC(C)C)cccc1NC(=O)C#CC1CC1 837437270 DGFGJBHUOZUUPC-UHFFFAOYSA-N 287.428 3.989 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)cc1F)C1CCC1 838158762 WLDCZNPPQRURQX-UHFFFAOYSA-N 275.323 3.567 30 20 CHED CCCCCCC(=O)Nc1ccc(C#N)cc1C(C)=O 839424454 KRWWNZHMBOZJHA-UHFFFAOYSA-N 272.348 3.670 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCCc2cc(C#N)ccc21 841368709 MRVRJBOHVZGZJY-SFHVURJKSA-N 294.398 3.636 30 20 CHED COc1ccc(C(CC(C)C)=NNc2ccc(C)nn2)cc1 842527065 GFQUHAHGGYMTQX-UHFFFAOYSA-N 298.390 3.656 30 20 CHED N#C[C@H](C(=O)[C@@H]1Cc2ccccc21)c1nc(C2CC2)cs1 842942137 WFZBLCUXUKVWOC-ZIAGYGMSSA-N 294.379 3.537 30 20 CHED C#CC1CCN(C(=O)/C(C)=C\c2ccc(Cl)cc2)CC1 843705143 SSHKTXGLZMURBG-SEYXRHQNSA-N 287.790 3.615 30 20 CHED C=C[C@@H](C)ONC(=O)c1cc(C(C)C)nc2ccccc12 846544855 ZFIKKYRPOIEJIQ-GFCCVEGCSA-N 284.359 3.594 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CCO[C@@H](C)C1 847744820 ZAPSFLNAEFFQSK-DGADGQDISA-N 280.408 3.726 30 20 CHED CCC1CCC(=NNc2ncc(Br)cn2)CC1 848422375 WQNNCXOYXXENLB-UHFFFAOYSA-N 297.200 3.607 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CC[C@@H]1CC1(Cl)Cl 851202896 MXXMPZOHNCJFTR-NXEZZACHSA-N 292.206 3.832 30 20 CHED Cc1ccc2c(CC(=O)O[C@H](C)CC(C)(C)C#N)c[nH]c2c1 851210379 PYTQYSXNBBFLJV-CYBMUJFWSA-N 298.386 3.890 30 20 CHED C=C[C@H](OC(=O)c1cnc2n1[C@H](C)CCC2)c1ccccc1 851452582 UXLJFMWXUOPCPQ-CJNGLKHVSA-N 296.370 3.865 30 20 CHED CCCCCCCC[C@@H](C)C(=O)N1CCC(C(=O)O)CC1 851592853 GPLJWIWWLILNKC-CQSZACIVSA-N 297.439 3.696 30 20 CHED N#CC[C@H]1CCCN(C(=O)NCC2CCCCCCC2)C1 852000707 XRZQGLWPWRHGNI-MRXNPFEDSA-N 291.439 3.682 30 20 CHED C#C[C@](C)(CC)N[C@@H](C)c1nc2ccccc2n1C(F)F 852101510 QDJZDXYTWWJUKF-MEDUHNTESA-N 291.345 3.884 30 20 CHED CCC(CC)CNN=C(C)c1ccc(C(F)F)nc1 853334633 NEQBFRHGWTWVRI-UHFFFAOYSA-N 269.339 3.769 30 20 CHED Cc1nc(C=NNc2ccc(C(C)C)cc2)[nH]c1C 853356372 SCNXCOZPJOLLCG-UHFFFAOYSA-N 256.353 3.596 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCc2ccsc2)C1 855438164 BQFRBUOPIKEHQZ-CQSZACIVSA-N 277.433 3.886 30 20 CHED CCCc1ccc(/C=C/C(=O)c2cc(C)nn2C)s1 857203189 ZDKXGROISYTQBH-CMDGGOBGSA-N 274.389 3.639 30 20 CHED CC(=NNc1cc(C)ccc1C)c1nc(C)cs1 863073591 JHEUUGDXOOGKGP-UHFFFAOYSA-N 259.378 3.904 30 20 CHED COc1ccc(C=NOCc2cccnc2)cc1C(C)(C)C 872359710 MZYRBKSGVYFBJG-UHFFFAOYSA-N 298.386 3.938 30 20 CHED CC(=O)[C@](C#N)(CCN1CCCC[C@H](C)C1)c1ccccc1 878452460 UWCLLQUUIXOKRO-QFBILLFUSA-N 298.430 3.549 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 879028780 LLXFDBFWOYMXQC-SJORKVTESA-N 296.414 3.887 30 20 CHED C=Cc1ccccc1NC(=O)NCC(C)(C)CCC#N 880202871 WLLPSRNYZDVKNT-UHFFFAOYSA-N 271.364 3.781 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C#N)ccc1OC(C)C 888381452 VMMFZXUFELNDFL-UHFFFAOYSA-N 286.375 3.886 30 20 CHED C=CCCC[C@@H](NCc1ccc2ccccc2c1)C(=O)O 900067737 NCRYMEXLGGICFM-QGZVFWFLSA-N 283.371 3.739 30 20 CHED COC(=O)C[C@H](C)SCCCCC1(C#N)CCC1 901494710 LCKCHUXHFKKWKF-LBPRGKRZSA-N 269.410 3.535 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C3CC3)cc2)nn1C 901554757 DGBZZWJCZCMBRX-BJMVGYQFSA-N 266.344 3.502 30 20 CHED C=C/C=C\CCNc1cccc(OCCCC#N)c1 901969581 LVCHPYUYSBCUFP-ARJAWSKDSA-N 256.349 3.913 30 20 CHED C=CC[C@H](CC)N[C@H]1CCC[C@H](CCCC(=O)O)C1 902261715 BEWCQQMHFBRRAA-ILXRZTDVSA-N 267.413 3.744 30 20 CHED CC(C)(C)c1nc(CON=Cc2cccc(F)c2)co1 902690040 CXVYOQKFEGTGOE-UHFFFAOYSA-N 276.311 3.662 30 20 CHED N#CC1(CCCCOC(=O)Cc2ccccc2F)CCC1 908710456 OIHFNLVITOSWPK-UHFFFAOYSA-N 289.350 3.776 30 20 CHED CC(C)CCC/N=C\c1cc2ccccc2nc1O 914558061 QVLLUESFNNILQZ-BOPFTXTBSA-N 256.349 3.796 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cccc(C#N)c1 915934004 QDSHLBIKJGSMAN-UHFFFAOYSA-N 271.270 3.673 30 20 CHED N#Cc1ccc(NN=Cc2cccc3cccnc23)cc1 915961549 HBOZCRIPPWOPGC-UHFFFAOYSA-N 272.311 3.552 30 20 CHED CC1=CC(=NNc2ccc(Cl)nn2)CC(C)(C)C1 916288235 PTJKCAXFDIVIGP-UHFFFAOYSA-N 264.760 3.664 30 20 CHED C=C(Cl)COC(=O)CSc1cc(C)ccc1C 916616895 UKLVOXGMSUWZQF-UHFFFAOYSA-N 270.781 3.691 30 20 CHED C=CCN(Cc1cc(=O)oc2cc(CC)ccc12)C(C)C 917166696 ARRYESXKXOMANT-UHFFFAOYSA-N 285.387 3.752 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccc([C@@H]3C[C@H]3C)o2)c1 917556869 QCRVNFXAOOFULT-CZODWKJRSA-N 285.343 3.736 30 20 CHED CCCCCCCOC(=O)c1ccc(Cn2cccn2)o1 918494145 ODTAFSFCQCSAFX-UHFFFAOYSA-N 290.363 3.652 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2cccc(F)c2)c1C 920927764 NCYGEIGWSKHHLG-HJWRWDBZSA-N 272.323 3.555 30 20 CHED C/C(=C/C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 921274204 VDTCAPNKFVHBNX-XFXZXTDPSA-N 280.302 3.739 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](c1cccs1)C1CC1 929704805 SRHYGTFAWSMPQT-INIZCTEOSA-N 296.395 3.809 30 20 CHED N#CC1(CCCCN2CC[C@H](c3ccccn3)C2)CCC1 930316250 SPPNJTGAXCAYBJ-INIZCTEOSA-N 283.419 3.735 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1ccc(COC)o1 935432131 VDPOSRVRZDYJRN-HIFRSBDPSA-N 291.391 3.692 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@@H](C)SC)c1cccs1 1123011161 WJRHEMFWFURDBD-FOGDFJRCSA-N 283.418 3.634 30 20 CHED C=C[C@@H](C(=O)Nc1ccnn1C1CCCC1)c1ccccc1 1123637670 JOHWFTLAFCITJG-MRXNPFEDSA-N 295.386 3.907 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1ccc(Cl)c(C#N)n1 1157883260 XUIKRNSOVZNTEC-VHSXEESVSA-N 251.761 3.843 30 20 CHED CC(C)(C)c1cnc(SCc2ccc(C#N)s2)[nH]1 1189902733 MEJJMLHJZBVMCC-UHFFFAOYSA-N 277.418 3.933 30 20 CHED Cc1c(C#N)cccc1NCCc1ccc(F)c(F)c1 1205379857 KUMPFOXBAVEMQP-UHFFFAOYSA-N 272.298 3.800 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(F)c1C#N 1206377329 VGCZFURLFMCYDZ-CYBMUJFWSA-N 293.345 3.762 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1F 1219049530 AAPMGNCLYFOJPB-WCQYABFASA-N 289.354 3.645 30 20 CHED C[C@@H](NC(=O)N1CCC(C)(C#N)CC1)C1CCCCCC1 1233913050 HEGLXACTBKVORU-CQSZACIVSA-N 291.439 3.681 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@@H](CC#N)c2ccccc2)C1 1265331116 SGUFTPISOXVUFB-ABFRBSLYSA-N 284.403 3.625 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2=CCCCCC2)c1 1299293469 TVTUDDIHOLLCMW-UHFFFAOYSA-N 254.333 3.696 30 20 CHED C=C(CNc1nc(C2CC2)nc2c1CCC2)c1ccccc1 1307136460 VDNFSPZJFOLUQV-UHFFFAOYSA-N 291.398 3.968 30 20 CHED Cc1nnc(SCC2(C#N)CCC2)n1C1CCCCC1 1307246952 DTDHDGDFKWHXGT-UHFFFAOYSA-N 290.436 3.878 30 20 CHED Cc1cc(C)c(/C=C/CN(C)[C@@H](C)CC#N)cc1C 1308589673 RADDFPZYXAXAKZ-MOEXGYKKSA-N 256.393 3.859 30 20 CHED C[C@H](C#N)CN(C)[C@H]1C[C@H](C)Sc2sccc21 1308625552 JCYPUTFRQWRWAT-SCVCMEIPSA-N 266.435 3.765 30 20 CHED CC[C@@H](C)CCNC(=O)Nc1ccc(C#N)c(Cl)c1 1310043290 ORECPPIMNLZHON-SNVBAGLBSA-N 279.771 3.769 30 20 CHED COc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)c(C)c1 1322997190 QLLSGNUMEWWDLY-UHFFFAOYSA-N 291.310 3.592 30 20 CHED COc1cccc(/C=N/Cc2cccc(C(F)F)c2)c1O 1324265307 KATMAZZPQYKVNG-VXLYETTFSA-N 291.297 3.958 30 20 CHED CC(C)(C)c1ccc(NN=C2CC[C@@H]2C2CCC2)nn1 1324924961 JHDLAAXQWXGBBJ-GFCCVEGCSA-N 272.396 3.752 30 20 CHED CC(C)(C)C#CC(=O)N1Cc2ccccc2C2(CCC2)C1 1326751078 UBFVMXXARMPZBK-UHFFFAOYSA-N 281.399 3.500 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC/C=C/C2CC2)n1 1327800051 GNAFGMOARAAMBC-SNAWJCMRSA-N 255.365 3.629 30 20 CHED Cc1coc(C(=O)N(c2cccc(C#N)c2)C2CCC2)c1C 1331453153 NGVCRSQUQLWBMA-UHFFFAOYSA-N 294.354 3.967 30 20 CHED C=C(CC)C(=O)Nc1cc(OC)ccc1OCCCC 1346274095 VWCJFVQJTZIYJW-UHFFFAOYSA-N 277.364 3.779 30 20 CHED C=C(CC)C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 1349823090 YOZPQMWNYGEZAC-UHFFFAOYSA-N 297.402 3.516 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)CC1 1350138151 JNPOGSAABBRLMT-DGCLKSJQSA-N 289.341 3.922 30 20 CHED C[C@H](C#N)N(Cc1cnc(-c2ccccc2)s1)C1CC1 1350385627 JBGAEWKFSVXIBO-GFCCVEGCSA-N 283.400 3.687 30 20 CHED N#C[C@H](NC(=O)/C=C/c1ccc(Cl)s1)C1CCCC1 1350852188 UMVBKOIPXKJZHT-WMADIVHISA-N 294.807 3.613 30 20 CHED C=C(C)CCC(=O)Nc1cnn(-c2ccccc2F)c1C 1354480874 FBRIBYBMBIWALU-UHFFFAOYSA-N 287.338 3.615 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N(C)c1ccc(C#N)cc1F 1358165914 INHOGEKPGWGMED-CYBMUJFWSA-N 296.345 3.772 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)c1 1436285137 LEZRWGHYPBMWTB-QGZVFWFLSA-N 294.329 3.560 30 20 CHED CC(C)c1nc2cc(NC(=O)CC(C)(C)C#N)ccc2o1 1440757686 UGMVGFGPHKCDJG-UHFFFAOYSA-N 285.347 3.830 30 20 CHED CO[C@](C)(CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC1 1461880084 IYAYFMPEFVAIPG-IPMKNSEASA-N 298.430 3.573 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc2c(Cl)cncc2s1 1518424744 ADFUVGGSMFKUEO-QMMMGPOBSA-N 294.763 3.799 30 20 CHED CC1(CCC(=O)Nc2ccc(Cl)c(C#N)c2)CC1 1531846954 NCJMBTQXEJUYSM-UHFFFAOYSA-N 262.740 3.730 30 20 CHED CC[C@@H]1Cc2ccccc2CN1CCc1ccc(C#N)cc1 1559728695 WXDSEYDAEHEYIX-HXUWFJFHSA-N 290.410 3.938 30 20 CHED CCC[C@@H](CN(Cc1ccc(C#N)cc1)C(C)C)OC 1560639325 UDAMLYNBKRPTGS-KRWDZBQOSA-N 274.408 3.584 30 20 CHED CCCC[C@H](SCc1ccc(CC#N)cc1)C(=O)O 1595656780 ASQRTCWIYYZHOO-AWEZNQCLSA-N 277.389 3.629 30 20 CHED Cc1ccc(C(=O)O)cc1N=Cc1cc(Cl)ccc1O 1607737724 JMZGEAUNHQCDJO-UHFFFAOYSA-N 289.718 3.803 30 20 CHED C=C(C)CCS[C@@H](Cc1ccc(C)cc1)C(=O)O 1609225933 BYPCZGRACKNJMZ-AWEZNQCLSA-N 264.390 3.690 30 20 CHED N#Cc1cnnc(SCc2ccc(C(F)(F)F)cc2)c1 1651039085 MPTJELXAGJPGKZ-UHFFFAOYSA-N 295.289 3.659 30 20 CHED C[C@@H]1OCC[C@H]1CSc1ccc(Cl)cc1C#N 1651842249 FOROMSYULUSJFO-UWVGGRQHSA-N 267.781 3.729 30 20 CHED Cc1ccc2c(c1)N(Cc1cccc(C#N)c1F)C[C@@H](C)O2 1653536193 MQZMXPXWVYAQNQ-CYBMUJFWSA-N 296.345 3.793 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNc1cncc(C#N)n1 1655066838 YKVIFCKGIBWNPH-TZMCWYRMSA-N 272.396 3.613 30 20 CHED CC(C)C[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 1658383143 QUZFDZIWXXFRLN-HNNXBMFYSA-N 274.383 3.955 30 20 CHED Cc1cccc(C)c1C=NNc1ccc(F)c(C(=O)O)c1 1776063013 WOQMRXUYOYQODF-UHFFFAOYSA-N 286.306 3.587 30 20 CHED C=CCC[C@H](C)N1CCC([C@@H]2CCC[C@@H]2C(=O)O)CC1 1776166375 WEPBDIHGJXIEII-BPUTZDHNSA-N 279.424 3.554 30 20 CHED C[C@H]1c2ccsc2CCN1Cc1cccc(C#N)c1 16421027 OFIMLWUFZQWCNC-LBPRGKRZSA-N 268.385 3.739 30 20 CHED CCOc1ccc(NCc2cccc(C#N)c2)cc1OCC 20827351 GHGKXSWNJQSNPH-UHFFFAOYSA-N 296.370 3.968 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 36240603 RJAOFLUJRNIWHQ-LBPRGKRZSA-N 266.300 3.577 30 20 CHED C[C@H]1CCN(C(=O)C2(C#N)CCCC2)c2ccccc21 41968316 PMYHBOVDOXTVKD-ZDUSSCGKSA-N 268.360 3.611 30 20 CHED CCN(Cc1c(Cl)cccc1Cl)C[C@H](C)C#N 42324040 KXSHSYXCOQBYNR-SNVBAGLBSA-N 271.191 3.975 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2cc(C)ccc2[nH]1 44010109 FXAVOQDYLRDJGM-UHFFFAOYSA-N 256.349 3.515 30 20 CHED Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(C#N)cc1 47334334 XFKSOZPWFNICQI-AWEZNQCLSA-N 293.370 3.619 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1ccc(C)s1 49158972 ZPJMNSZGPHTOJP-AWEZNQCLSA-N 285.412 3.919 30 20 CHED N#Cc1cccc(NC(=O)N2CCC[C@H]2C2CCCC2)c1 55340634 VHFLIAHPHFIGNB-INIZCTEOSA-N 283.375 3.745 30 20 CHED Cc1noc(C)c1CSc1cccc(F)c1C#N 57797435 KNGQBAYGAOAORT-UHFFFAOYSA-N 262.309 3.595 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccccc2n1CC 58089638 MPWIXLHDSNOQQZ-UHFFFAOYSA-N 270.376 3.699 30 20 CHED N#Cc1c(F)cccc1OCc1ccccc1Cl 62658912 JZVVUAGSDNVINP-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C[C@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68764753 VKWJAHYGASFFLA-FBIMIBRVSA-N 297.185 3.515 30 20 CHED N#Cc1cc2ccccc2nc1NCc1ccc(F)cc1 70218023 SZXLZEREAPTSCQ-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2ccc(C#N)cn2)CC1 71202958 ZJVRYXFUYDIOGB-CQSZACIVSA-N 257.381 3.606 30 20 CHED Cc1cc(C)c(OCC(=O)Nc2ccccc2C#N)c(C)c1 72807555 DMWBTDMVSKHHAH-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 78779474 YKSNYKJQPFHVEA-GFCCVEGCSA-N 298.773 3.897 30 20 CHED C#CC[C@H](OC(=O)/C=C/c1nc2ccccc2s1)C1CC1 79209510 PUHQYZZCLVRRNX-VNDWYCCKSA-N 297.379 3.655 30 20 CHED C=CCOCCCC(=O)N[C@@H](CC)c1ccc(C)cc1 79298247 GFJMHMUOLJAION-INIZCTEOSA-N 275.392 3.545 30 20 CHED Cc1ccc(CN(CCCSCC#N)C2CC2)cc1C 80629227 TUUYHPSZNBGHHY-UHFFFAOYSA-N 288.460 3.915 30 20 CHED CC(C)[C@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191924 DJLPNABIRFYBSV-VIFPVBQESA-N 284.281 3.808 30 20 CHED CC[C@@H](C)C[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 88298960 DNCMXHMZPRECSM-GHMZBOCLSA-N 261.325 3.703 30 20 CHED C#CCCCCN[C@H](C)c1ccc(F)cc1Cl 90398652 GHJWTSKIDWJCNP-LLVKDONJSA-N 253.748 3.933 30 20 CHED CCN(CC#N)Cc1cn(-c2ccccc2)nc1C(C)(C)C 92398924 PFUCGCDRXDCZEY-UHFFFAOYSA-N 296.418 3.515 30 20 CHED C[C@H](CC(=O)NCCCCC#N)Cc1ccc(Cl)cc1 92895859 OIDYVRHERIQTOI-ZDUSSCGKSA-N 292.810 3.719 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc(Cl)ccc1F 103440501 WAHZKTFZGHDPNC-UHFFFAOYSA-N 296.773 3.881 30 20 CHED CCc1cccc(CC)c1NC(=O)N1CCC(C#N)CC1 104976720 AOEJOFQZOFVKEV-UHFFFAOYSA-N 285.391 3.579 30 20 CHED C[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CC(C)(C)O1 105340824 DTVHVCPZGZMZDB-JTQLQIEISA-N 298.308 3.581 30 20 CHED C=CC[C@H](C)NC(=O)CCc1ccc(-c2ccccc2)o1 116854233 JEKSKHBLEIXJNR-AWEZNQCLSA-N 283.371 3.960 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(OC)c(Cl)c1 116907886 QFGPKZGGIBQGKL-GHMZBOCLSA-N 253.773 3.964 30 20 CHED C=CCCCN1CCC(OC2CCCCC2)CC1 117875728 KBUQUUGMKSTALI-UHFFFAOYSA-N 251.414 3.766 30 20 CHED C=CCCCN(Cc1ccco1)Cc1ccccc1O 117881470 JSNMBLUPQWLENC-UHFFFAOYSA-N 271.360 3.954 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCCc3occc32)cc1 119372890 AMJDCITXXGLXTQ-MRXNPFEDSA-N 297.354 3.652 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 119978579 MKRGPOHZTPASRG-DOTOQJQBSA-N 269.388 3.585 30 20 CHED C[C@@H]1C/C(=C/c2c(Cl)cnn2C)C(=O)c2ccccc21 122705648 FTHZLESOPUMWQJ-UBYNWHESSA-N 286.762 3.847 30 20 CHED Cc1cc(C)cc(CCC(=O)N(C)c2cccc(C#N)c2)c1 123193268 WVUJVCZXNXUCGN-UHFFFAOYSA-N 292.382 3.771 30 20 CHED C=C(C)CN(CC)Cc1csc(-c2ccccn2)n1 124169141 XCVRLRHUYYEPIF-UHFFFAOYSA-N 273.405 3.603 30 20 CHED N#CCOc1cccc(CN[C@@H](c2ccccc2)C2CC2)c1 124838884 PYPBXBSVPNIWNM-IBGZPJMESA-N 292.382 3.830 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H](C=C)c2ccccc2)c1 129149611 YWCZYVQHYCDHQR-QGZVFWFLSA-N 289.378 3.991 30 20 CHED C=CCCCN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 134028272 KDOAAGUEWYFVFD-GJZGRUSLSA-N 296.455 3.578 30 20 CHED C=CCCOCC(=O)Nc1ccc(CCCC)cc1 143125208 FRDCGIZRLWZWEA-UHFFFAOYSA-N 261.365 3.560 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Nc1ncccc1C 145794990 PEDUASGDJCFYPI-UHFFFAOYSA-N 299.349 3.749 30 20 CHED Cc1cc(F)ccc1NC(=O)c1c(F)cc(C#N)cc1F 150912061 HFRBQEMVMWVCEG-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC(C)Oc1ccc(NC/C=C/Cl)cc1C#N 151970392 BWZLNLBJKIUHPY-ZZXKWVIFSA-N 250.729 3.510 30 20 CHED CCCOc1cccc(CC(=O)Nc2cccc(C#N)c2)c1 152812482 DTMOHSBHADJKIZ-UHFFFAOYSA-N 294.354 3.528 30 20 CHED CC(C)c1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)no1 156195752 NTENDCNPIZLXHL-AWEZNQCLSA-N 297.358 3.573 30 20 CHED C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H](C#N)C(C)(C)C 157740755 KWMSWNDQAVWHPJ-SMDDNHRTSA-N 292.810 3.573 30 20 CHED CCCCN(C)Cc1ccc(OC)c(OCCCC#N)c1 158168661 FFHUNJHHEWWZLK-UHFFFAOYSA-N 290.407 3.610 30 20 CHED N#Cc1ccccc1NC(=O)Cc1ccc(F)cc1Cl 159353319 HBQBPFONFSLWNV-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)cc1 160942788 MMYBSXUWJXJUJH-HOCLYGCPSA-N 270.376 3.599 30 20 CHED C=C(C)CNC(=O)c1cnc(-c2ccccc2Cl)s1 160946023 MWJXTIZJZYBTLN-UHFFFAOYSA-N 292.791 3.769 30 20 CHED Cc1ccccc1Sc1ccc(C(=O)N(C)CC#N)cc1 161151482 CWFPVYTWZQUWDG-UHFFFAOYSA-N 296.395 3.742 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC(C)C)c1ccccc1 161326379 TYZRTDXZOUEGPZ-HNNXBMFYSA-N 260.381 3.601 30 20 CHED N#Cc1ccc(F)cc1CN1CCS[C@@H]2CCCC[C@@H]21 161441931 IEQSIOFOOHFMPO-JKSUJKDBSA-N 290.407 3.557 30 20 CHED CC(C)N(Cc1cc(C#N)ccc1F)C1CCCC1 170790276 YPWHMMSWIBYHFE-UHFFFAOYSA-N 260.356 3.850 30 20 CHED CCCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC1 171719630 JFWIPEDPQIUARK-UHFFFAOYSA-N 288.395 3.521 30 20 CHED CC(C)(C#N)CCCOc1c(F)c(F)cc(F)c1F 177158927 ARSYXGGWPCSPAB-UHFFFAOYSA-N 275.245 3.952 30 20 CHED Cc1cc(F)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 178468717 DBJRTMPZTRWBSN-CYBMUJFWSA-N 294.285 3.765 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1 180372552 WNBAFYGRKKFKNB-ZIAGYGMSSA-N 260.381 3.792 30 20 CHED C=C(C)CN(C)C(=O)C(C)(C)Oc1cccc(Cl)c1 180422955 GPTQKVOHYKYMBC-UHFFFAOYSA-N 281.783 3.532 30 20 CHED C=C(C)CN(C)C(=O)C[C@@H](C)c1ccc(CC)cc1 180436087 XUTRBUKGMPDJBH-CQSZACIVSA-N 259.393 3.777 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 180931742 ZJMZMXAQLBWAAJ-AWEZNQCLSA-N 252.361 3.975 30 20 CHED C[C@@H](NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1cccc(C#N)c1 182027321 YCPNWPCVOUMQSG-AQWZQNETSA-N 288.394 3.795 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H](Oc2cccc(F)c2)C1 183208118 UOCJBEHMGNILPJ-MRXNPFEDSA-N 290.382 3.609 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 183861966 ZQVJZAHMLJSIOU-KSZLIROESA-N 292.382 3.752 30 20 CHED CC[C@H](NCCCC(C)(C)C#N)c1nc(C)cs1 184343876 GLAIVPBRPASZBO-LBPRGKRZSA-N 265.426 3.822 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1c(C)cccc1C 185726252 SBQXVKUDOSALAY-UHFFFAOYSA-N 294.354 3.959 30 20 CHED CCSCc1ccnc(N[C@@H]2CCC[C@H](C#N)C2)c1 185872990 PAVLMTDLEWJWJJ-GXTWGEPZSA-N 275.421 3.829 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H](C)[C@H]2CC)cc1 187427507 OQROBMYMAKSEGJ-XJKSGUPXSA-N 273.376 3.512 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(SCC)c1 188815368 BRICMCHZNWWYNG-INIZCTEOSA-N 293.432 3.966 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc(C(F)(F)F)cc1C 189833710 SNLMAHQOYSFOSY-UHFFFAOYSA-N 297.320 3.680 30 20 CHED N#Cc1cc(F)ccc1COc1ccc([C@@H]2CCOC2)cc1 190281821 GOZZMKKHKAQGGZ-OAHLLOKOSA-N 297.329 3.780 30 20 CHED C#CCCCC(=O)Nc1ccc(-c2csc(C)n2)cc1 192056515 OWZSAAVQNLCZFZ-UHFFFAOYSA-N 284.384 3.861 30 20 CHED C=CC[C@H](C(=O)N1CCSCC[C@H]1C)c1ccccc1 192354868 PQPGHSJNTOVTFN-ZBFHGGJFSA-N 289.444 3.700 30 20 CHED COc1cccc(/C=C2/COc3c(C)ccc(C)c3C2=O)c1 214023041 PSQQGRGBJANNHD-DHDCSXOGSA-N 294.350 3.971 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@](C)(O)CC1 230364412 DTSANAGPZOIPTC-QGZVFWFLSA-N 283.456 3.891 30 20 CHED Cn1cc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)cc1C#N 232314128 RNRFLGAUJPCROE-HOTGVXAUSA-N 273.424 3.591 30 20 CHED Cc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 237702436 DSDATUCTTKQVKU-HNNXBMFYSA-N 280.371 3.576 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1 254517813 GQDGOHVEZIYAJL-UHFFFAOYSA-N 269.304 3.821 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2c(F)cccc2F)cn1 255120968 JOASJCSIKOEVQC-SREVYHEPSA-N 276.286 3.638 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C)nc2-c2ccccc2)o1 255304246 GGJHIEZMEAVLIY-KTKRTIGZSA-N 292.338 3.885 30 20 CHED CSc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1 255584984 WPXLHWYYTFTBMT-DAXSKMNVSA-N 273.332 3.839 30 20 CHED C=C1CCN(C(=O)c2ccc(Br)cc2C)CC1 264122240 FKOFWJYYZLAEAW-UHFFFAOYSA-N 294.192 3.550 30 20 CHED CCN(c1cccc(F)c1C#N)[C@H](C)c1cccnc1 265191098 HEWIGTZVUDWQHA-GFCCVEGCSA-N 269.323 3.680 30 20 CHED CCCCCCCC(=O)Nc1cccc(C[S@@](C)=O)c1 265283307 OWBLHOKBVTYIPJ-HXUWFJFHSA-N 295.448 3.864 30 20 CHED CCN(Cc1cccc(Cl)c1)C(=O)CC(C)(C)C#N 278175068 CBDWUAJOHRCTQG-UHFFFAOYSA-N 278.783 3.628 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(F)c(F)c1O 281654221 PXBGZEZXXSOTLX-VHSXEESVSA-N 255.308 3.676 30 20 CHED Cc1cnn(C)c1/C=C1\C(=O)c2ccccc2[C@@H]1C(C)C 284915957 BPIQXIOMNICDQV-KAKTVLCNSA-N 280.371 3.748 30 20 CHED CCC(C)(C)c1ccc(C[S@@](=O)CCCC#N)cc1 284921181 BUELGKKIOAGAOM-IBGZPJMESA-N 277.433 3.927 30 20 CHED Cc1cc([C@H](C)Nc2cccc(OCCCC#N)c2)no1 290689462 MNTSNJXICFXYKY-ZDUSSCGKSA-N 285.347 3.839 30 20 CHED N#CCCCC(=O)N[C@H](c1ccccc1)C1CCCC1 291638262 HAVZAPFDWPEUON-QGZVFWFLSA-N 270.376 3.728 30 20 CHED CC(F)(F)c1ccc(C(=O)N(CCC#N)CC2CC2)cc1 292612467 BIFAWEURRVULLH-UHFFFAOYSA-N 292.329 3.564 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1[C@@H]1CC[C@@H](C#N)C1 292735619 GVORVMLOBFRVJZ-NRSFXHEJSA-N 268.404 3.632 30 20 CHED C[C@@H](NC(=O)[C@@H]1CCCCC1(F)F)c1ccc(C#N)cc1 294472643 SXJPGLKVGHOLDK-RISCZKNCSA-N 292.329 3.561 30 20 CHED C=CCC[C@H](C(=O)N1CCC(CF)CC1)c1ccccc1 295533722 BWMMKZBOLIPVOA-KRWDZBQOSA-N 289.394 3.945 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 297980448 QOGBMRKLDALMBD-NSHDSACASA-N 297.185 3.886 30 20 CHED CCCCCCCCCN(C)C(=O)c1cncnc1C 298984174 PVTRHNQKZKDLGY-UHFFFAOYSA-N 277.412 3.608 30 20 CHED N#Cc1ccc(NCCc2ccccn2)c(C(F)(F)F)c1 301334445 NBPMZPXAKRCIDO-UHFFFAOYSA-N 291.276 3.627 30 20 CHED CC(C)[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CCS1 301416996 BEFOZFRIGGLAFL-AWEZNQCLSA-N 280.824 3.789 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNc2cc(C)ccn2)c1 301622653 FXJRXQIEHXOGBG-HNNXBMFYSA-N 281.359 3.683 30 20 CHED CCc1c(Nc2cccc(F)c2C#N)cnn1CC(C)C 301826243 MTTHPQDWMUNRRM-UHFFFAOYSA-N 286.354 3.856 30 20 CHED N#Cc1ccc(Nc2ccc(NC3CCCCC3)cc2)nn1 301991877 MYEWPALLGDXWEW-UHFFFAOYSA-N 293.374 3.836 30 20 CHED C=CCCCOc1ccccc1OCC(F)(F)F 303940665 YMBROQLDJACFFQ-UHFFFAOYSA-N 260.255 3.973 30 20 CHED Cc1nc(N2CCC(Cc3ccccc3)CC2)ccc1C#N 319089810 MUNILTXGIJVPOM-UHFFFAOYSA-N 291.398 3.721 30 20 CHED Cc1noc(C)c1C(C)(C)/C(O)=N/C[C@@H]1CCCCS1 330283886 WSCUQRZPGQBBLD-LBPRGKRZSA-N 296.436 3.811 30 20 CHED CCC1CCC(C/N=C(/O)[C@@H](C)c2cncnc2)CC1 330293344 HSJALXXVENRDMS-HSBZDZAISA-N 275.396 3.753 30 20 CHED C[C@H](/N=C(/O)c1cccnc1)c1nc(C(C)(C)C)cs1 330664162 YABRSBITIJYMSM-JTQLQIEISA-N 289.404 3.901 30 20 CHED CC[C@H]1CCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 334089297 PFPRBLUCAZNQEY-HOTGVXAUSA-N 285.391 3.615 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1C 334851143 SHVXWLFLMKJDIO-LLVKDONJSA-N 298.308 3.590 30 20 CHED Cc1ccsc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 335082380 DEDOJNIMRSYTFW-GFCCVEGCSA-N 284.384 3.761 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 335362803 LVAVWTDOPPJJPW-UHFFFAOYSA-N 295.729 3.530 30 20 CHED N#CC1CCN(Cc2ccc(C3CCC3)cc2)CC1 336462301 LISOLBLJNRTNRQ-UHFFFAOYSA-N 254.377 3.690 30 20 CHED CSc1ccccc1[C@@H](C)Nc1ccc(C#N)nc1 336920252 GGCFEVMYHDCZPD-LLVKDONJSA-N 269.373 3.848 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H](c2ccccc2F)C1 337513639 GXKHXAYNRCDPBS-AWEZNQCLSA-N 298.336 3.826 30 20 CHED CC1(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCC1 339094121 IZADLIQNCORJFD-UHFFFAOYSA-N 297.280 3.641 30 20 CHED N#Cc1ccc(C(=O)N(Cc2ccoc2)C2CCCCC2)o1 340672907 VKJSNQVXTWAZSW-UHFFFAOYSA-N 298.342 3.719 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(SC2CC2)cc1 341088065 HSNBZWJTHJOUEG-UHFFFAOYSA-N 273.401 3.755 30 20 CHED CCc1noc(C)c1CSc1ccc(C#N)cc1 342088428 FWBHUYAEBXZDHA-UHFFFAOYSA-N 258.346 3.709 30 20 CHED CCc1nc(C)cc(Oc2cc(Cl)ccc2C#N)n1 342677881 MEXOCLNVDSJNTA-UHFFFAOYSA-N 273.723 3.665 30 20 CHED CO[C@@]1(C)C[C@H](Nc2ncc(Cl)c(C)c2C#N)C1(C)C 343519254 ZIRGZPGCHKRDRG-WFASDCNBSA-N 293.798 3.531 30 20 CHED N#Cc1ccc(OCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 344662689 KFGYXFRODVDKIQ-DRZSPHRISA-N 289.762 3.596 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1C(C)(C)C1(C)C 344923438 HHXWNXLCGUSNTQ-UHFFFAOYSA-N 298.430 3.977 30 20 CHED CCC(CC)[C@H](NC(=O)NCCCC#N)c1cccs1 345391204 MRPQSSWROVVFRH-AWEZNQCLSA-N 293.436 3.828 30 20 CHED Cc1oc(C#N)cc1-c1nc(Cc2ccccc2Cl)no1 345630443 MICQKAQFAXNSJC-UHFFFAOYSA-N 299.717 3.754 30 20 CHED C=CCOc1ccc(/C=C/c2ccncc2C#N)cc1OC 347448378 QKXNOKKIDMKLQR-GQCTYLIASA-N 292.338 3.697 30 20 CHED C=CCOCCCN1CCC[C@H](c2nc(C)c(C)s2)C1 347963382 CSTRHVVQFBCJON-HNNXBMFYSA-N 294.464 3.532 30 20 CHED C=CCCCCN[C@H](C)c1cccc(N2CCCC2=O)c1 349378630 LLXFKERHGWALOJ-OAHLLOKOSA-N 286.419 3.820 30 20 CHED C=CCCc1noc(-c2cc(Br)oc2C)n1 351306964 KNRRCFOLSMNTBV-UHFFFAOYSA-N 283.125 3.519 30 20 CHED C=C(C)CCc1noc(-c2cnc(CCC)s2)n1 351639376 CRRJATCJOMWYKE-UHFFFAOYSA-N 263.366 3.654 30 20 CHED CCN(CC)CCC[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 353415623 VZXCHWAIPDPPGA-HNAYVOBHSA-N 299.462 3.646 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 354760187 IUWNEEQTXFEKEQ-LALPHHSUSA-N 271.364 3.504 30 20 CHED C=CCCC1(C(=O)Nc2cnn(-c3ccccc3)c2)CC1 355179035 SMSIULXXDWKXHG-UHFFFAOYSA-N 281.359 3.557 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(-c3ccccn3)cc2)c1 355632308 DCIQAQOUDCIUPN-UHFFFAOYSA-N 299.333 3.873 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1C1CC1 355914246 PHBZLNIXFIYCPL-UHFFFAOYSA-N 276.339 3.996 30 20 CHED C=CCCO[C@H](C)c1nc(-c2nccc3ccccc23)no1 356919839 SHVMKLGJJGNCPI-GFCCVEGCSA-N 295.342 3.939 30 20 CHED COCCCC[C@H](Nc1cccc(C#N)n1)c1ccccc1 359851764 GVOPMMVHOPJAAL-KRWDZBQOSA-N 295.386 3.923 30 20 CHED N#CCCCC(=O)Nc1ncc(-c2ccccc2F)s1 360567275 DLPZSSFLFDYHJR-UHFFFAOYSA-N 289.335 3.582 30 20 CHED C=CCSc1ccccc1C(=O)N(CC)CC(F)F 362413751 ZZYZPCAYAOQTPH-UHFFFAOYSA-N 285.359 3.692 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)C1(C#N)CCCC1 366956698 VVHAMLJMFKAIHG-DOTOQJQBSA-N 296.414 3.865 30 20 CHED CCc1ccc([N+](=O)[O-])cc1NCc1cccc(C#N)c1 386202752 KMUUGZGYDAXTKA-UHFFFAOYSA-N 281.315 3.641 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccnc2ccccc12 387901249 UTLZBTBYCLBHBO-UHFFFAOYSA-N 287.366 3.738 30 20 CHED CC(C)(c1ccccc1)c1noc(-c2cccc(C#N)c2)n1 389530015 IFYOESYNQHYTAY-UHFFFAOYSA-N 289.338 3.934 30 20 CHED C=CCCCCNCc1cc(Cl)ccc1[N+](=O)[O-] 394079912 HBQRABGWYYAING-UHFFFAOYSA-N 268.744 3.694 30 20 CHED CCc1ccc(OCc2ccc(CC#N)cc2)c([N+](=O)[O-])c1 399003160 UQPDTJRDOZKUIP-UHFFFAOYSA-N 296.326 3.802 30 20 CHED CCC[C@@H](CC(C)C)C(=O)NCc1ccc(C#N)c(F)c1 404741130 BCHRHWJDZKIBIA-AWEZNQCLSA-N 290.382 3.776 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1cc(Cl)cs1 410133056 ZOMXQLYKOVKNGK-NSHDSACASA-N 271.813 3.805 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1CC 410832632 DNEFSNCQSGVCFT-BHYGNILZSA-N 284.403 3.503 30 20 CHED C[C@H](CCC#N)N1CC[C@@H](Cc2ccccc2)[C@H]1C 411301598 DKRAEMJOORWRMZ-INMHGKMJSA-N 256.393 3.632 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 412886605 VUJZSJTUEXPJPM-ZVZYQTTQSA-N 287.403 3.517 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(CC=C)CC=C 413828127 UJIZOGNMYCTBOU-QGZVFWFLSA-N 284.403 3.557 30 20 CHED CC(C)(C#N)CCCCSCC[C@@H]1CCOC1 419529846 JPPYHDIIPVDVCG-ZDUSSCGKSA-N 255.427 3.866 30 20 CHED N#CC1(CSCc2c(F)cc([N+](=O)[O-])cc2F)CCC1 419575517 DWQJVWIRTLGSOR-UHFFFAOYSA-N 298.314 3.800 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC23CCCC3)s1 421354616 WXMPXXWGRQELDZ-AWEZNQCLSA-N 260.406 3.822 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H]1CC[C@H](C#N)C1 424318075 CLGRIQUBAJERGV-HLPPOEQASA-N 254.377 3.825 30 20 CHED CC1(C)Cc2occc2[C@H](N[C@@H]2CC[C@H](C#N)C2)C1 424331693 SFPWRMMKABBGRY-OUCADQQQSA-N 258.365 3.575 30 20 CHED N#Cc1c(N2CCC[C@@H]2c2ccccc2)ncc2c1CCC2 425212788 XGOMJMBYEMAROL-GOSISDBHSA-N 289.382 3.783 30 20 CHED CCSc1cccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 425658535 URZAJOXMOATWLA-WCQYABFASA-N 289.404 3.612 30 20 CHED N#CCCCOc1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1 428452766 NAIUWPXWVDINCC-WMZOPIPTSA-N 284.403 3.744 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccccc1)C(CC)CC 429967722 YBFGJLCHBNFRJJ-MRXNPFEDSA-N 274.408 3.991 30 20 CHED C=CCN(Cc1ccc(N(C)c2ccccc2)nc1)C1CC1 437130602 ZCZBWEFGDCUVQL-UHFFFAOYSA-N 293.414 4.000 30 20 CHED N#CCCCCNc1ncnc2sc3ccccc3c12 440640020 QXFNZSOSRFGIOH-UHFFFAOYSA-N 282.372 3.950 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 444769461 INJVKGIOEUQKBZ-CYBMUJFWSA-N 260.356 3.565 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1NCc1ccco1 448318930 OTGJXUVOXYRMIU-UHFFFAOYSA-N 296.370 3.706 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccoc2)CCCCC1 448768655 RDFIOZVEDHXYKT-UHFFFAOYSA-N 261.365 3.765 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)OCCO3)CCCC1 449041356 MRJAMMURONCCGN-UHFFFAOYSA-N 287.359 3.533 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc(NS(C)(=O)=O)c1 449048790 WLNQBKXLNIAODP-CYBMUJFWSA-N 296.436 3.605 30 20 CHED C=CCCCN(C)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 449904364 WIXAPGKRNCZNRA-DLBZAZTESA-N 271.404 3.995 30 20 CHED CC#CCCCC(=O)Nc1ccc(C(=O)C(C)C)cc1 452978182 QPDLYQOKMNIOBM-UHFFFAOYSA-N 271.360 3.657 30 20 CHED C=CC(C)(C)c1nc(Cc2ccccc2Cl)no1 453032282 XUNSLYMGILJBMH-UHFFFAOYSA-N 262.740 3.777 30 20 CHED CC[C@H](NC[C@H](OC)[C@H](C)CC)c1ccc(C#N)cc1 453271776 UHWKPEFUGYIFQE-COXVUDFISA-N 274.408 3.660 30 20 CHED CC[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1OC 453284654 BDEOBTKSMNDRLA-DZKIICNBSA-N 272.392 3.818 30 20 CHED C=CCC[C@H](NCCc1scnc1C)c1ccco1 453303380 FYQHTMHZXKJZQJ-ZDUSSCGKSA-N 276.405 3.884 30 20 CHED CCN(CCC#N)C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 454950171 TZIRFRQTTHHZRK-NSHDSACASA-N 298.308 3.728 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](C)c1c(F)cccc1F 455530143 ZWBSPKTWKPDMPH-NSHDSACASA-N 282.334 3.633 30 20 CHED CC(C)C[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl 455696839 DAFDUQDFXONPQC-LLVKDONJSA-N 293.798 3.962 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1cccc(CC#N)c1 456741708 YRZBTTMVSYSTBH-LBPRGKRZSA-N 276.405 3.613 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cc(C)ccc2OC)CCC1 457947641 CGTVBYOGICSYFZ-CQSZACIVSA-N 287.403 3.927 30 20 CHED CC(C)c1ccc(C(=O)NCC(C)(C)CC#N)s1 457992491 LCYAHFUGOFZMCU-UHFFFAOYSA-N 264.394 3.541 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)N(C)CC(C)(C)C#N 458254328 PCCIJNMVCJHIAF-UONOGXRCSA-N 279.428 3.536 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)NCC(C)(C)CC#N)C1 459242602 RYPARGOCKCEAIU-HOCLYGCPSA-N 299.418 3.719 30 20 CHED N#CC1(CN2CC3(CCCC3)[C@H]2c2ccccc2)CC1 459576884 LIKMLVKMWLZQIA-MRXNPFEDSA-N 266.388 3.907 30 20 CHED Cc1sc(NC(=O)[C@]2(C)CC=CCC2)c(C#N)c1C 459841083 AQPSNAVLPGKTEA-OAHLLOKOSA-N 274.389 3.922 30 20 CHED CCc1ccccc1NCCOc1cccc(C#N)c1 462209623 LFTCLXVUQNNPEY-UHFFFAOYSA-N 266.344 3.612 30 20 CHED C[C@H](C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1cccc(C#N)c1 462547471 GYRFGWFLCRGUTH-AYMQEEERSA-N 284.403 3.603 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(COc2ccccc2)cc1 465119379 HWSRIMPOVYOKLE-CQSZACIVSA-N 281.355 3.570 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1cc(C)cc(C)c1 466530526 NXAGLIUFJNDFLG-HNNXBMFYSA-N 275.392 3.543 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc(C#N)c1 466975431 YHATUKBYGMRPCM-HOCLYGCPSA-N 285.391 3.991 30 20 CHED C[C@H](CCc1ccsc1)NCCc1cccc(C#N)c1 467443032 ATWKGGHVWADZNZ-CQSZACIVSA-N 284.428 3.773 30 20 CHED Cc1ccc([C@H]2CCCN2c2ccc(C)c(C#N)n2)s1 468725535 PGBNBPUIGLGNAH-CQSZACIVSA-N 283.400 3.973 30 20 CHED C=CCCCCNC(=O)CCc1ccc(CC)cc1 471682736 LTAZQONYBVOWEE-UHFFFAOYSA-N 259.393 3.654 30 20 CHED C=CCCCCNC(=O)c1ccc(C(C)C)s1 471705641 LRSFKDMQDLRNDH-UHFFFAOYSA-N 251.395 3.958 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](c2ccccc2F)C1 472859814 GQELQVKPRYYGPF-CQSZACIVSA-N 290.382 3.681 30 20 CHED C=CCCCCNC(=O)c1cccc2c(C)c(C)[nH]c12 474591972 LTKMTKBFASWTKA-UHFFFAOYSA-N 270.376 3.871 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)CC1 474710617 YWLBAPZKBULWNE-DGXTUMSLSA-N 273.420 3.674 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)CC1 475456972 FSODUNWCALRMGS-MRXNPFEDSA-N 299.414 3.758 30 20 CHED C=CCN(CC(F)(F)F)C(=O)[C@H]1CC12CCCCC2 477088488 LRFGDVBAKDVLQM-LLVKDONJSA-N 275.314 3.534 30 20 CHED C=CCCCC(=O)N[C@@H]1C[C@H](OCC)C12CCCCC2 479854814 WPELZJNOXCPCOL-CABCVRRESA-N 279.424 3.587 30 20 CHED C=CCc1cc(CNCCC=C(C)C)cc(OC)c1O 480300936 LVOQNRVPMOCZJE-UHFFFAOYSA-N 275.392 3.575 30 20 CHED Cc1ccsc1CN(C)CC#Cc1ccccc1 483527924 FGVMKBYKUPYVMH-UHFFFAOYSA-N 255.386 3.540 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C(C)(C)c1ccc(Cl)cc1 484387899 UHZMFLFAXXABHL-GFCCVEGCSA-N 292.810 3.626 30 20 CHED N#Cc1ccc(=N[C@@H]2CCC[C@@H](c3ccccc3)C2)[nH]c1 487143953 XTECZTXKKHRUMD-IAGOWNOFSA-N 277.371 3.513 30 20 CHED C[C@H]1C[C@@H](C)CN1Cc1ccccc1C(C)(C)C#N 487413967 SQCKSAOKVKCCAW-KGLIPLIRSA-N 256.393 3.718 30 20 CHED Cc1ccccc1C[C@H]1CCCN1c1ccc(C#N)c(C)n1 488065641 CRDNDRGOFNCCOH-GOSISDBHSA-N 291.398 3.782 30 20 CHED C=CCn1cccc1C(=O)N(C)Cc1ccc(CC)cc1 488391471 ALUGPHBJMAIAOX-UHFFFAOYSA-N 282.387 3.509 30 20 CHED C=C(C)CNC(=O)N1CCC(=Cc2cccc(F)c2)CC1 488558654 MWZXQFFTKCSJTC-UHFFFAOYSA-N 288.366 3.591 30 20 CHED C=CCn1cccc1C(=O)NCc1csc2ccccc12 489002988 MWNMDQXEKUOCMV-UHFFFAOYSA-N 296.395 3.819 30 20 CHED C=C(C)COc1cc(CNC[C@H]2CC2(C)C)ccc1OC 489062950 HMBNTHDGTHGSIJ-OAHLLOKOSA-N 289.419 3.786 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)c1ccccc1F 490028769 HEAKMZOKFZHSSR-LBPRGKRZSA-N 263.356 3.648 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)c1cccs1 494410037 DCYSAKYCTLBVDD-CHWSQXEVSA-N 278.421 3.949 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](C)Cc1ccccc1OC 499874345 BJJGJNQJRNHLQY-HNNXBMFYSA-N 289.419 3.689 30 20 CHED Cc1c(C#N)cccc1NCc1cc(F)ccc1F 500705194 XIHLHTSPRMUKEK-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC1(C)CCC(CC(=O)NC2(C#N)CCCCC2)CC1 503317689 YTKDDKWTXQBEHT-UHFFFAOYSA-N 276.424 3.936 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 508665521 WFTJNKDJERVGDI-CSKARUKUSA-N 285.303 3.657 30 20 CHED Cc1c(C#N)cccc1C(=O)NC(C)(C)c1cccs1 509450097 QPJSJUKVHRFOML-UHFFFAOYSA-N 284.384 3.593 30 20 CHED COc1cc(C#N)ccc1CNC1(C(F)F)CCCCC1 510094518 WWTYZWDHJWUEQZ-UHFFFAOYSA-N 294.345 3.624 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCCC(C)C 510993170 VMVUSKONANJPTQ-ZDUSSCGKSA-N 257.443 3.579 30 20 CHED C=C(CC)CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1 512238001 XOGZIWHEURRSBS-IBGZPJMESA-N 284.447 3.551 30 20 CHED C=C(CNC(=O)N(C)[C@H]1CC[C@H](C)C1)c1ccccc1 512677605 LJFAYNLXBRVBEI-BBRMVZONSA-N 272.392 3.530 30 20 CHED C=C1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 513489406 IJYAWHVIISXQJD-UHFFFAOYSA-N 257.377 3.552 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)c1ccc(Cl)c(C#N)c1 517883586 SSSADZBLXIDBJM-JTQLQIEISA-N 276.767 3.615 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc(F)ccc1Cl 526083913 QUKVOBUDCPRLEP-UHFFFAOYSA-N 288.753 3.983 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(C)c(OC)c2)no1 528104575 ODPINYAKIRPMRS-UHFFFAOYSA-N 285.347 3.635 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1C(F)(F)F 528801455 YVHRKQYXKVECJW-LBPRGKRZSA-N 298.308 3.682 30 20 CHED CC(C)N(CCC#N)Cc1ccc2ccccc2c1 534337574 GFEJKXQTHGZTBO-UHFFFAOYSA-N 252.361 3.964 30 20 CHED C=C(C)[C@@H](CC(=O)NCc1ccc2ccccc2c1)OCC 534422112 VAPCNNJRDBLJEQ-GOSISDBHSA-N 297.398 3.827 30 20 CHED CC(C)COc1cccc(CN(CCC#N)C(C)C)c1 537206108 SCXXDHCTRXVDEJ-UHFFFAOYSA-N 274.408 3.845 30 20 CHED C=CCC[C@H](NC[C@H](C)Oc1ccccc1)C1CC1 540181840 JEFDHMUBENWIOW-YOEHRIQHSA-N 259.393 3.788 30 20 CHED C=CCCC(=O)NC1CCC(c2ccc(F)cc2)CC1 541930381 ITOBWFRIZAVEAE-UHFFFAOYSA-N 275.367 3.934 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](CC(F)(F)F)C(C)C 543624080 KYRPCKQYGXLUJW-WDEREUQCSA-N 280.334 3.617 30 20 CHED C=C(C)CN1CCC(NCC(CC)(CC)CC)CC1 544032274 KMXWMHMGYXRCFA-UHFFFAOYSA-N 266.473 3.833 30 20 CHED N#Cc1c(F)cccc1NC1CC(OCc2ccccc2)C1 545913772 QYMCITUAJSAPKV-UHFFFAOYSA-N 296.345 3.857 30 20 CHED Cc1ccc(C)c(OCCN[C@H](C)c2ccc(C#N)cc2)c1 549167372 ZLHHWJXQOQPADD-MRXNPFEDSA-N 294.398 3.905 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCOc3ccccc32)n1 551497435 YRVBFCSUBBOLEW-ZDUSSCGKSA-N 284.359 3.838 30 20 CHED CC#CCCCC(=O)NC[C@H]1CCCCC(F)(F)C1 552655217 OGYQDYNKDJMSLS-ZDUSSCGKSA-N 271.351 3.512 30 20 CHED CO[C@H](COc1ccc(C#N)cc1C)c1ccccc1 555406833 CJNSMWZPENKIGY-QGZVFWFLSA-N 267.328 3.633 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1nccc(C#N)c1Cl 557583224 MHQDWHKQZUSNOV-MDZLAQPJSA-N 275.783 3.764 30 20 CHED N#C[C@@H]1CC[C@H](NCc2c(Cl)cccc2Cl)C1 558704879 RBLBSZJVAWQIDM-ZJUUUORDSA-N 269.175 3.775 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)NC1(c2cccc(C#N)c2)CC1 560842991 FWWJPRZKSVKLLH-GDBMZVCRSA-N 296.414 3.880 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)c1ccccc1F 561707399 PWNVPSDWHOVGHN-UHFFFAOYSA-N 275.367 3.945 30 20 CHED Cc1ccc(-c2ccc(CNCC3(C#N)CC3)o2)cc1 563586419 RBJZIKRSFCQJDK-UHFFFAOYSA-N 266.344 3.648 30 20 CHED CC(C)(C)C1CCC(CNC[C@@H](C#N)CCC#N)CC1 563952703 QOJGGNPJXABNQV-HWOWSKLDSA-N 275.440 3.872 30 20 CHED C=CC[C@@H](C)N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F 565088630 IXNJHJRTECUBKB-SKDRFNHKSA-N 288.269 3.752 30 20 CHED CC(C)(C)c1ccccc1OCCNc1cc(C#N)ccn1 567300116 XDCVHUQBROKJTH-UHFFFAOYSA-N 295.386 3.742 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 568090973 FMNFOYKXBCGIQZ-LSDHHAIUSA-N 257.377 3.569 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(OC(F)F)cn2)no1 568139144 YBPSZXMPCSNDJD-CQSZACIVSA-N 295.289 3.587 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H](F)C2)cc1C(F)(F)F 572694390 IIEQJKUTUSXGGQ-NXEZZACHSA-N 272.245 3.880 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C(C)(C)C1CC1 573757280 GCAPMOAGICBUFB-UHFFFAOYSA-N 271.404 3.680 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)N1CCC(CCC#N)CC1 574152924 CXJADESNEYCGEP-DOTOQJQBSA-N 291.439 3.536 30 20 CHED N#Cc1cccc(C2(NC[C@@H]3C[C@@H]3c3ccccc3)CC2)c1 578891582 RXVNRPGDVFDCJZ-PKOBYXMFSA-N 288.394 3.941 30 20 CHED CC1(C)CC(NC[C@@H](C#N)CCC#N)CC(C)(C)C1 579463251 KTYZFVFFJQEVNL-CYBMUJFWSA-N 261.413 3.624 30 20 CHED CO[C@H]1CCOc2c(NCc3cccc(C#N)c3)cccc21 580991377 KCVNKJKCNAQWCZ-KRWDZBQOSA-N 294.354 3.640 30 20 CHED Cc1ccc([C@@H](c2noc(C(C)(C)C#N)n2)C(C)C)cc1 581277345 NGUCSFBTMRGJQA-AWEZNQCLSA-N 283.375 3.967 30 20 CHED Cc1cc(CN[C@H]2c3ccc(F)cc3O[C@@H]2C)ccc1C#N 582510502 XCYLUJRBJKGPAD-KZULUSFZSA-N 296.345 3.618 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(CCC)CCC 583963131 UKDZCRLNJZWBKL-CYBMUJFWSA-N 264.417 3.604 30 20 CHED CC[C@H](CNC(=O)CCCCCC#N)c1ccccc1 588147507 WCPNYEUKICASTM-OAHLLOKOSA-N 272.392 3.770 30 20 CHED Cc1nc(C)c(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 589254897 OZCCGKUUGXLXRG-DLBZAZTESA-N 295.386 3.563 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H]1CCC[C@H]1CCC(C)C 590030437 RATFNPQVINWMKT-PMPSAXMXSA-N 281.440 3.689 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)N1CCC[C@](C)(C#N)C1 590326631 BUXDLPPMQHWZKI-GOSISDBHSA-N 299.418 3.533 30 20 CHED C=CCC(CC=C)C(=O)N(CC#N)c1ccc(Cl)cc1 592652041 KPTAUJWKVPXVPH-UHFFFAOYSA-N 288.778 3.965 30 20 CHED C=CCC(C)(C)c1noc(CC2(CSC)CC2)n1 593303572 OIEQZMYVZHQKIX-UHFFFAOYSA-N 266.410 3.609 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C)C(C)(C)C1 594339109 CTBBXFCYXSMOCO-GJZGRUSLSA-N 298.430 3.631 30 20 CHED C[C@H]1N(C(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc2C1(C)C 596635687 COIZDWDPEPFXRO-HZSPNIEDSA-N 297.402 3.575 30 20 CHED N#CC1(NC(=O)c2ccc(C3CC3)cc2)CCCCC1 597034244 NGYXDBFAKRUCEO-UHFFFAOYSA-N 268.360 3.520 30 20 CHED CC(C)Cc1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 597919276 YXPGDTVQPVTEIV-MRXNPFEDSA-N 284.403 3.651 30 20 CHED C=CCCNC(=O)c1oc2ccccc2c1CSC 597963583 ORXIYATZVWHYIN-UHFFFAOYSA-N 275.373 3.602 30 20 CHED C=CCCSCCNC(=O)[C@H](C)c1cccc(Cl)c1 597967804 FRZJJDXCVPWDHF-GFCCVEGCSA-N 297.851 3.869 30 20 CHED CCCC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)C(C)C 598818023 IVBHEFRLBHFODM-QWHCGFSZSA-N 252.402 3.503 30 20 CHED C=CCCSCCNCc1ccc(Cl)c(OC)c1 598980533 IMFVEDGYRKTFHK-UHFFFAOYSA-N 285.840 3.748 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@H](C)CCC#N 602437477 YSVYYIIKOYOVSM-NEPJUHHUSA-N 266.335 3.897 30 20 CHED C[C@@H](CCC#N)CN1CCS[C@H](c2ccccc2)C1 602472235 QAXHCBZRUHQITF-HOCLYGCPSA-N 274.433 3.716 30 20 CHED C[C@H](CCC#N)CN(C)Cc1nc(C(F)(F)F)cs1 602485672 ZAYVYTKVXADUOW-SECBINFHSA-N 291.342 3.534 30 20 CHED Cc1ccc(OCCCCNC[C@@H](C)CCC#N)cc1 602515748 DCYQYEFKZDZOBR-INIZCTEOSA-N 274.408 3.684 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)CCOc1ccc(F)cc1 604492748 JLFPHWSEBQJGQW-CQSZACIVSA-N 298.361 3.769 30 20 CHED C[C@H]1C[C@@H](CC(=O)N(C)C2(C#N)CCC2)CC(C)(C)C1 608959304 MDABDOVKLHLAOG-KBPBESRZSA-N 276.424 3.744 30 20 CHED Cc1nnc(NCCCCCc2ccccc2)c(C#N)c1C 609039352 ODHIOCFAAAUVJL-UHFFFAOYSA-N 294.402 3.790 30 20 CHED CC(C)CC[C@H](C)NC(=O)c1cc2ccccc2n1CC#N 609160971 IZIWLJFWYFPTAV-AWEZNQCLSA-N 297.402 3.719 30 20 CHED CC[C@@H](CC(=O)N[C@H](C#N)CC(C)C)c1ccc(C)cc1 609988556 GAVNURYIUGEXHX-RDJZCZTQSA-N 286.419 3.933 30 20 CHED CC[C@H](CC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612246297 XDSGXPFJPSEPAF-CRAIPNDOSA-N 284.403 3.723 30 20 CHED C=CCN(CC=C)Cc1ccc(F)c(Br)c1 615455577 WVUOOZGSNSXXSG-UHFFFAOYSA-N 284.172 3.762 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)C(CC)CC)C1 617781678 RNJXHOVUODGNFR-ZIAGYGMSSA-N 251.414 3.873 30 20 CHED C[C@@H]1CCC[C@@H](N[C@H]2CCc3cc(C#N)ccc32)C1 618804739 LSIRDDQAOIWVCE-VMGRFDJRSA-N 254.377 3.714 30 20 CHED C=CCn1c(S[C@@H](C)c2ccncc2)nnc1C1CC1 619950263 LNHVPULQBRBCOC-NSHDSACASA-N 286.404 3.590 30 20 CHED C=CCOc1ccc(CC(=O)N2C3CCCC2CCC3)cc1 648988263 SMNWLYNIWXMCQK-UHFFFAOYSA-N 299.414 3.728 30 20 CHED C=CC1CCN(C(=O)C2[C@H]3CCCCCC[C@H]23)CC1 668568815 KLJUCGZOVMPUDF-GJZGRUSLSA-N 261.409 3.627 30 20 CHED Clc1cccc(C#CCN2CC[C@H](c3ccco3)C2)c1 676563240 KZYKIONUOPQIJR-HNNXBMFYSA-N 285.774 3.774 30 20 CHED C=CCCC[C@@H](C)NC(=O)CNc1ccccc1Cl 678894789 IOSJAQARUTVQHU-GFCCVEGCSA-N 280.799 3.613 30 20 CHED C=C(C)CN(C)C(=O)NCCc1ccc(C(C)C)cc1 679278972 MJJANGUXDZFQBN-UHFFFAOYSA-N 274.408 3.570 30 20 CHED C=CCC[C@@H](N[C@@H]1CCc2cc(OC)ccc2C1)C1CC1 680352623 NYWPDOXKIZNTKL-IEBWSBKVSA-N 285.431 3.887 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C(=O)O)sc1C 692255097 RASCGYFCTZHOLP-OCCSQVGLSA-N 293.432 3.979 30 20 CHED C#C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)C(C)(C)C 702223019 DLDCFRMTHCEDKX-ZDUSSCGKSA-N 298.213 3.700 30 20 CHED CCCCCCCNC(=O)c1cc(O)ccc1Cl 703715576 XDTGEALMVAZVPB-UHFFFAOYSA-N 269.772 3.746 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 708421856 VYRSJITWQHBSNK-SECBINFHSA-N 283.828 3.931 30 20 CHED N#Cc1c(F)cccc1SC[C@H]1CC1(Cl)Cl 725787369 GAINGBQCODZJIK-SSDOTTSWSA-N 276.163 3.983 30 20 CHED COc1cccc(NN=C(C)CCc2ccco2)c1 725855377 RGOWVZXSVZGSNI-UHFFFAOYSA-N 258.321 3.709 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 727219348 LIZNJFZQEWFZHI-SECBINFHSA-N 289.158 3.880 30 20 CHED CC(=NNC1CCCC1)c1ccccc1Br 727652158 FDXZITDGVSUFKX-UHFFFAOYSA-N 281.197 3.705 30 20 CHED Cc1cc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)ccc1O 728231974 PCVXAUJUXZVTOV-RQOWECAXSA-N 289.312 3.566 30 20 CHED CCC/C=C/C(=O)N(CCC#N)CC(CC)CC 729433826 SFRNJCFLIMSXIQ-CSKARUKUSA-N 250.386 3.521 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ncoc1C(C)C 731968255 PZUTXVOUCMYDKR-UHFFFAOYSA-N 284.359 3.626 30 20 CHED CCCCCCCOC(=O)c1ncoc1C(C)C 732384634 LPXWPWUBLCRFQN-UHFFFAOYSA-N 253.342 3.925 30 20 CHED FC(F)Oc1cccc(Cl)c1C=NNc1ccccn1 732923636 GEIWUBXBHWEPHN-UHFFFAOYSA-N 297.692 3.782 30 20 CHED CC(C)[C@@H](C)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 733679610 CGZUWFNFRIBKNS-OCCSQVGLSA-N 266.344 3.703 30 20 CHED C#CCOc1ccccc1C/N=C/c1cc(Cl)ccc1O 734096728 QWQOJDAIBAGRQZ-XDHOZWIPSA-N 299.757 3.677 30 20 CHED C=CC[C@H](NC(=O)N[C@H]1CCC[C@@H](C)C1)c1ccncc1 734661881 PXOHJCNVNNETMC-KBMXLJTQSA-N 287.407 3.577 30 20 CHED Cc1ccccc1OCCCN(CCC#N)CC(C)C 739914129 FNSQSVCTYCPQDC-UHFFFAOYSA-N 274.408 3.636 30 20 CHED CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCCCCC#N 744140560 JIVWNDLUFQTNKZ-ZNMIVQPWSA-N 281.396 3.597 30 20 CHED Cc1cc(C)c2cc(C(=O)OCC3(CC#N)CC3)[nH]c2c1 744277469 MTIOOWWCHYACJO-UHFFFAOYSA-N 282.343 3.635 30 20 CHED CC(=NN=C(C(C)C)C1CCCCC1)c1cnccn1 745203718 OITHNGWZZUKXSH-UHFFFAOYSA-N 272.396 3.878 30 20 CHED O=[N+]([O-])c1ccc2[nH]cc(C=NNc3ccccc3F)c2c1 747750516 AUYWYOXMNFKKQC-UHFFFAOYSA-N 298.277 3.661 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@H]1CCC[C@@H](C)C1 749784894 CGYSMVVMZHZJKR-OLZOCXBDSA-N 287.359 3.689 30 20 CHED COc1ccc(NN=C(C)c2sccc2C)cc1 750946255 NUCKWUVNSZKDHT-UHFFFAOYSA-N 260.362 3.901 30 20 CHED Oc1nc2ccccc2cc1/C=N/CC1(C2CC2)CC1 751525027 ZHBMNOXVGLUCQZ-VCHYOVAHSA-N 266.344 3.550 30 20 CHED CCC(COC)=NNc1cc(Cl)ccc1Cl 751895903 WKVLBRBJBZSDMX-UHFFFAOYSA-N 261.152 3.818 30 20 CHED Cc1ccccc1/C=C/C(=O)c1cc(F)ccc1[N+](=O)[O-] 752875660 QSAXIINLQHTHAL-RMKNXTFCSA-N 285.274 3.938 30 20 CHED C=CC[C@H](NC(=O)N(C)[C@H](C)C1(C)CC1)c1ccncc1 752982223 SPUQCLSXPRNJPB-HIFRSBDPSA-N 287.407 3.529 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)OC(C)(C)C#N 753990408 MVMQTNQNRWFLFY-CHWSQXEVSA-N 271.360 3.821 30 20 CHED C=CCc1cc(CN2CCC[C@H]2CC)c(O)c(OC)c1 754726421 HTRVAVRQDVXGBZ-OAHLLOKOSA-N 275.392 3.504 30 20 CHED CCCCCCCCCCNC(=O)c1cn(C)nc1C 755487501 RDNJKATYLAPZJO-UHFFFAOYSA-N 279.428 3.599 30 20 CHED C(=NNc1nncc2ccccc12)c1cccc2[nH]ccc12 755491152 NCTAXSFDQUTHMG-UHFFFAOYSA-N 287.326 3.557 30 20 CHED Clc1cccnc1NN=C[C@@H]1C[C@@H]1c1ccccc1 755654348 JAONJMYSEHWBTM-QWHCGFSZSA-N 271.751 3.936 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1cc(Cl)ccc1O 756421007 XBXAWSAXLQXRTG-LLVKDONJSA-N 286.762 3.768 30 20 CHED Cc1oc2ccccc2c1C=NO[C@@H]1CCCCO1 758119817 OWQLGKQQJXKFFS-OAHLLOKOSA-N 259.305 3.618 30 20 CHED CC(=NOCC(F)F)c1ccc(Br)s1 758904311 UUTCUQPBDNFBQI-UHFFFAOYSA-N 284.125 3.516 30 20 CHED CC(Cc1cccc(F)c1)=NNc1ccc(C(=O)O)cc1 759178664 ABLCXPUEOYGFHG-UHFFFAOYSA-N 286.306 3.554 30 20 CHED COc1cc(F)cc(NN=CC2CCCCC2)c1 759210987 WYRPBMZFQTUAMB-UHFFFAOYSA-N 250.317 3.812 30 20 CHED CC#CCCOC(=O)c1cncc(-c2ccc(C)cc2)c1 760285091 VYSZDWMTGPOQOM-UHFFFAOYSA-N 279.339 3.627 30 20 CHED CO[C@@H](C(=O)O[C@H](C)c1cccc(C#N)c1)c1ccccc1 764613377 MMAKCYFDXBKTQJ-CXAGYDPISA-N 295.338 3.550 30 20 CHED CC#CCCCC(=O)OCc1ccccc1C(C)(C)C#N 767670978 LWYULHATSNWISI-UHFFFAOYSA-N 283.371 3.725 30 20 CHED CC(C)[C@H]1CCCCC1=NNC(=S)Nc1ccccn1 767805693 HPDMUUVGKZDPQJ-GFCCVEGCSA-N 290.436 3.570 30 20 CHED C=C(C)CSCCOc1ccc(/C=C/C(=O)OC)cc1 767864835 FKDDGHUGOYYEPG-RMKNXTFCSA-N 292.400 3.561 30 20 CHED O=C(O)c1cccc(NN=C2CC[C@@H]2c2ccccc2)c1 769761925 CCJHLUBRYDDWEL-OAHLLOKOSA-N 280.327 3.730 30 20 CHED C[C@H]1CCC[C@H](CNc2ccc(F)cc2OCC#N)C1 770595992 IPNATCLPZNBEIW-STQMWFEESA-N 276.355 3.966 30 20 CHED CCC(=NNC[C@@H](C)C#N)c1ccc2cc(OC)ccc2c1 771100710 VMJSTDMFCBBMQU-ZDUSSCGKSA-N 295.386 3.712 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2F)ccc1N(C)C 772926146 BLEAZMVQZNRXHD-UHFFFAOYSA-N 283.350 3.684 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1ccccc1C(=O)O 773191542 UFQGXBBURLQMBC-JSGCOSHPSA-N 272.348 3.775 30 20 CHED C#CCCCCC(=O)N1CCc2ccccc2C1(C)C 774009051 OMKOAKIXYQAPCK-UHFFFAOYSA-N 269.388 3.500 30 20 CHED C#CCOc1ccccc1NC(=S)Nc1ccccc1 774264375 DEAKVRRWIOMVBV-UHFFFAOYSA-N 282.368 3.508 30 20 CHED CC(=NOC1CCOCC1)c1ccc(CC(C)C)cc1 774471426 QJSRJQWAWXFUQX-UHFFFAOYSA-N 275.392 3.805 30 20 CHED C[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1ccccc1F 776386540 VIZLGOOBDCQMOX-LRDDRELGSA-N 289.350 3.945 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc3[nH]ncc3c2)o1 779820004 AELJKOGMOQMLGF-YGRLFVJLSA-N 280.331 3.725 30 20 CHED CC(=NN[C@@H]1CCCOC1)c1ccc(-c2ccccc2)cc1 780265379 FNFXIWIFIMHDMW-LJQANCHMSA-N 294.398 3.846 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)OC1(C#N)CCC1 780419808 BJFTXCMYRZGPFN-UHFFFAOYSA-N 292.338 3.660 30 20 CHED CC[C@@H](C#N)OC(=O)Cc1cc2c(ccc3ccccc32)o1 781198424 UZGKFDURKLWYPY-ZDUSSCGKSA-N 293.322 3.974 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(C)cc(C)c1Br 781209944 ZUKKYORMXHPFQE-SNVBAGLBSA-N 296.164 3.525 30 20 CHED Cc1cccnc1C=NNc1ccccc1Br 781586787 OGVYUYIFVUYBGP-UHFFFAOYSA-N 290.164 3.599 30 20 CHED CC[C@@H]1C[C@@H](CC(=O)O[C@H](C#N)C2CCCCC2)CCO1 781776548 HFCSGWYOUUVBAP-NUEKZKHPSA-N 293.407 3.597 30 20 CHED Cc1ccc(NN=Cc2scnc2C2CC2)cc1 782111387 PHSYTQLGZANBGS-UHFFFAOYSA-N 257.362 3.775 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1Cc2ccccc2S1 782267549 KORYHZCSQHFSOS-AWEZNQCLSA-N 289.400 3.577 30 20 CHED C=C(C)CNc1ccn(-c2cccc(C(F)(F)F)c2)n1 782893013 GPPOJSHCIWJHBW-UHFFFAOYSA-N 281.281 3.879 30 20 CHED CCC(=NNc1nc2ccccc2n1C)c1cccc(F)c1 783513515 DYFPRMYNSMYAMV-UHFFFAOYSA-N 296.349 3.939 30 20 CHED C=CCOc1ccc(OC(=O)c2c(C)noc2C2CC2)cc1 784053895 QMGHGPPTUWBQLJ-UHFFFAOYSA-N 299.326 3.644 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1c(F)cccc1F 785079759 GMLKHJSITXAWIG-SECBINFHSA-N 267.275 3.509 30 20 CHED N#Cc1csc(C(=O)OCc2ccc(Cl)c(F)c2)c1 785682164 ZAXYSWHTXHOWFG-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CC(=NOCCC(F)(F)F)c1cnn(C(C)(C)C)c1C 787161636 DNRAGTYMXFLUQP-UHFFFAOYSA-N 291.317 3.640 30 20 CHED C#CCC1(C(=O)Nc2cc(C)nc(C(C)C)n2)CCCCC1 788437107 QAXKOYYLJLWVOU-UHFFFAOYSA-N 299.418 3.821 30 20 CHED CCC[C@H](C)OC(=O)c1cc(-c2cccc(C#N)c2)no1 789122833 XIHDOTNCGHCHOC-NSHDSACASA-N 284.315 3.559 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(OC)c(F)c2)CCC1 790137668 HNMJFJOSXJKEMB-UHFFFAOYSA-N 291.366 3.539 30 20 CHED CC[C@H](C)NN=C1CC(c2cccc(Cl)c2)C1 790191088 YCPMWPYBXYBLSV-NUHJPDEHSA-N 250.773 3.962 30 20 CHED Cc1ccc(F)cc1C=NNc1cccc(F)c1[N+](=O)[O-] 790309165 WWAGBRGCMVRICG-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 791059973 XMMKJOSCLAKXQK-SWLSCSKDSA-N 292.810 3.844 30 20 CHED C#C[C@H](CCC)NC(=O)C1(Cc2ccc(Cl)cc2)CC1 791743211 MUCDDQRPVDLCIX-OAHLLOKOSA-N 289.806 3.581 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H]1CCC=CO1 793227603 UDCGLHBLBYHRLI-QGZVFWFLSA-N 257.377 3.757 30 20 CHED N#CC1(NC(=O)[C@H](F)CC2CCCCC2)CCCCC1 793312836 OHFOOQLSCDBQIL-CQSZACIVSA-N 280.387 3.638 30 20 CHED FC(F)c1ccc(C=NNc2nc3ccccc3[nH]2)cc1 794463399 JOOZLQBDESOQAZ-UHFFFAOYSA-N 286.285 3.947 30 20 CHED CC(=NNCCC(F)(F)F)c1cc(C)sc1C 794552600 NGARYYKXTXSGAT-UHFFFAOYSA-N 264.316 3.631 30 20 CHED CC(C)C1CCC(C=Nn2cnc3ccccc3c2=O)CC1 794888098 NRDZGTBZNJUQOQ-UHFFFAOYSA-N 297.402 3.693 30 20 CHED N#Cc1ccc(NN=C2CCC[C@H]2c2ccccn2)cc1 794895577 GIPNHXBZPKJCDE-HNNXBMFYSA-N 276.343 3.689 30 20 CHED Cc1cc(OC(=O)c2ccc(C#N)o2)ccc1C(C)C 796710663 AAYQRQXOQVZIBH-UHFFFAOYSA-N 269.300 3.802 30 20 CHED C=CCOCCOC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 797283496 ORTYFJACJCORLM-QZTJIDSGSA-N 296.366 3.689 30 20 CHED CCSCCSCCCC1(C#N)CCOCC1 798370600 RQOSTNIGMCHRRH-UHFFFAOYSA-N 273.467 3.573 30 20 CHED C=CCOC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798783682 KAUXDMTUQAKWBE-VIFPVBQESA-N 258.239 3.538 30 20 CHED Cc1ccc(C(=O)N(CC(C)C)C2CCCC2)cc1C#N 799306568 OTSRHLXLDHJYCX-UHFFFAOYSA-N 284.403 3.908 30 20 CHED C=CCC[C@@H](CC)NC[C@H](O)c1cc(C)cc(C)c1 800992233 QBZYFRXAPMGPMU-SJORKVTESA-N 261.409 3.671 30 20 CHED C[C@@H](C#N)OCCN(CCc1ccccc1)c1ccccc1 801931707 MWINXGIPTLGGNR-KRWDZBQOSA-N 294.398 3.664 30 20 CHED C=CCCCCCCNC(=O)c1cc(F)ccc1OC 805219286 DJQTUNUPVXSXLE-UHFFFAOYSA-N 279.355 3.701 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)C(C)(C)C 807883424 MSIZKZNGTGIGBM-BBRMVZONSA-N 289.394 3.559 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@](C)(C#N)CSC)cc1 809137651 YLSYDOLXOXUBQN-BLLLJJGKSA-N 290.432 3.575 30 20 CHED CCOCC(C)(C)C/N=C/c1cc(Cl)ccc1O 809144200 HBDDCRSUPIFCGU-LZYBPNLTSA-N 269.772 3.527 30 20 CHED C#C[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)(C)C 809781538 VLXBRXWNPSEFQQ-UHOSZYNNSA-N 298.474 3.677 30 20 CHED Cc1ncccc1CON=Cc1ccc(Cl)cc1 809991526 BNFGJXUXBKEPBD-UHFFFAOYSA-N 260.724 3.594 30 20 CHED C=CCCCCCN1C(=O)O[C@@](C)(c2ccccc2)C1=O 810023616 APNHNCULZZJMDC-KRWDZBQOSA-N 287.359 3.627 30 20 CHED Clc1cccc(C2CC(=NNC[C@H]3CCSC3)C2)c1 811661800 SZNWMXBODXIVFL-JTDNENJMSA-N 294.851 3.916 30 20 CHED Cc1cccc2c1[C@@H](OC(=O)c1cc(C#N)cs1)CCO2 814033618 XUFWNKFHRPBULR-ZDUSSCGKSA-N 299.351 3.609 30 20 CHED CCCC(=NNc1cc(F)cc(F)c1)c1cccnc1 814813508 QGTDXFNTBZEDPE-UHFFFAOYSA-N 275.302 3.976 30 20 CHED C=CCC(C)(C)CN[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C 815637213 QFRZIYVFCOHGAZ-ZIAGYGMSSA-N 298.471 3.870 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1ccc(F)cc1 819815473 RIMFIOXEOPFQGC-LBPRGKRZSA-N 271.339 3.686 30 20 CHED CC(C)C#CC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 821092327 MCILZDRQCNRANA-LBPRGKRZSA-N 297.320 3.884 30 20 CHED C=CCCCC[C@@H](C)NC[C@](C)(O)c1ccsc1 823915292 MQQYYIUKUFKVBT-HIFRSBDPSA-N 267.438 3.680 30 20 CHED Cc1ccc(C=NOCCOc2ccc(F)cc2)cc1 824710172 STULIIAOZUASBL-UHFFFAOYSA-N 273.307 3.564 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)O)cc1 833374024 NYCXTRKOXZCJKR-LLVKDONJSA-N 291.351 3.643 30 20 CHED C#Cc1cccc(CN[C@H](c2ncc[nH]2)C2CCCCC2)c1 834902005 CSDYHVRAFMNLCK-SFHVURJKSA-N 293.414 3.802 30 20 CHED C[C@H]1CC(=NNc2nccc3sccc23)C[C@@H](C)O1 834942608 PMVLXFBXCNPHMM-AOOOYVTPSA-N 275.377 3.652 30 20 CHED C[C@H](C=NNc1cc(Cl)ccc1[N+](=O)[O-])CCC#N 835008309 FBXKOIWTFGSMED-VIFPVBQESA-N 280.715 3.586 30 20 CHED Fc1cccc(C=NOCc2cccc(F)c2F)c1 836718350 MVCGJDCUZYVJIM-UHFFFAOYSA-N 265.234 3.655 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cnc2ccccc2c1 838362684 WCAVBEMRDPIEAW-UHFFFAOYSA-N 282.343 3.722 30 20 CHED CCN(CC)c1ccc(/C=N/[C@@H]2CS[C@@H](C)C2)c(O)c1 840711874 SXCRGFIRWYZVRE-IFEYXZSHSA-N 292.448 3.551 30 20 CHED C[C@]1(C=NNc2ccccn2)C[C@@H]1c1ccccc1 841609559 UZKRQXLMLCRXGH-GDBMZVCRSA-N 251.333 3.673 30 20 CHED C[C@@H](C#N)OCCSCCc1ccc(Cl)cc1 842182782 IEBWAYJNBBJSGJ-NSHDSACASA-N 269.797 3.544 30 20 CHED C#C[C@H](CCC)NC(=O)CCCc1ccc(SC)cc1 843603919 IVHLFBGQWYYEJC-OAHLLOKOSA-N 289.444 3.649 30 20 CHED C#CC1CCN(C(=O)CCCCCc2cccs2)CC1 843706526 BPNGFKDWXQMSHY-UHFFFAOYSA-N 289.444 3.723 30 20 CHED C=C(C)CON=Cc1sc2nc(C)nc(C)c2c1C 844616932 HFLMJPNPOSGRAU-UHFFFAOYSA-N 275.377 3.543 30 20 CHED CC(=NOCc1cc2n(n1)CCC2)c1cc2ccccc2o1 844761709 ANPMNLBASGNVKT-UHFFFAOYSA-N 295.342 3.516 30 20 CHED CCOc1cccc(/C=N/CCC2(CSC)CC2)c1O 849169812 GTQYUHCUEXZPOO-GZTJUZNOSA-N 293.432 3.743 30 20 CHED N#CC1(CC(=O)OCCCCCCF)CCCCC1 851031391 IGUQNVZAXPWWTK-UHFFFAOYSA-N 269.360 3.924 30 20 CHED COCC1(COC(=O)CC2(C#N)CCCCC2)CCCC1 851092553 QICMRWCOQCGDGP-UHFFFAOYSA-N 293.407 3.601 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@]1(C)CC1(Cl)Cl 851204470 AEUOZMSQLTXJHV-BXKDBHETSA-N 292.206 3.832 30 20 CHED C=CCN(Cc1ccnc(Br)c1)C(C)(C)C 852554484 OLNPFYDIIVCBOA-UHFFFAOYSA-N 283.213 3.631 30 20 CHED C1CC(=C2CCC(=NNC[C@@H]3CCSC3)CC2)C1 853346469 CGEHOKJKUIWAEV-LBPRGKRZSA-N 264.438 3.740 30 20 CHED Cc1nc(C)c(CON=Cc2ccccc2OC(C)C)o1 853640397 FBQSRPOSYJDQGA-UHFFFAOYSA-N 288.347 3.629 30 20 CHED CCCCCCCCOCC(=O)N1CCC[C@@H](CC#N)C1 855255120 WYZOHMUSHRTMKJ-INIZCTEOSA-N 294.439 3.516 30 20 CHED C#CCC(C)(C)C(=O)N1CCc2ccc(C(C)C)cc2C1 855382133 JCODPJZFGBLTQV-UHFFFAOYSA-N 283.415 3.744 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](F)c2ccccc2)C1 855438582 KUZDZXQTAXIPLH-DZGCQCFKSA-N 261.340 3.512 30 20 CHED C=CC1CCN(C(=O)/C=C(\C)c2cccs2)CC1 857121514 ZGTNUTIFVBIZQA-VAWYXSNFSA-N 261.390 3.576 30 20 CHED CCc1c(C)sc(NC(=O)C2CC3(CC3)C2)c1C#N 857582705 GURZRUJOVSOLRG-UHFFFAOYSA-N 274.389 3.619 30 20 CHED C[C@@H](CC(=O)N(c1ccc(C#N)cc1)C1CCC1)C1CC1 857675863 ATEHMEKBEQVSIM-ZDUSSCGKSA-N 282.387 3.880 30 20 CHED CSc1ccc(/C=C\C(=O)OCC2(C#N)CCC2)s1 860288897 BCVUGWNWIDLUEJ-HYXAFXHYSA-N 293.413 3.720 30 20 CHED CCC[C@@H](CC)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 873495421 NFRIOAGLNSPBIH-NEPJUHHUSA-N 269.348 3.565 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H](O)c1cccc2ccccc12 880671844 OIMNATCYSGACHT-QGZVFWFLSA-N 297.398 3.592 30 20 CHED C=C1CCC(C(=O)OCc2ccc(CC#N)cc2)CC1 885649730 ILNSREZDGVPFTQ-UHFFFAOYSA-N 269.344 3.542 30 20 CHED N#CCCCCCC(=O)Nc1cc(F)c(O)cc1Cl 885678753 VLIIBFXUVQAEIK-UHFFFAOYSA-N 284.718 3.597 30 20 CHED C=C1CCC(C(=O)Nc2c[nH]nc2-c2ccccc2F)CC1 897598225 NACFMMUEZHHNNU-UHFFFAOYSA-N 299.349 3.901 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](c2ccncc2)C2CC2)C1 898999769 DUOYYEFZZARNCL-RHSMWYFYSA-N 299.418 3.530 30 20 CHED CCc1onc(C)c1/C=C/C(=O)c1ccc(C(F)F)nc1 899385502 GPDDJDYDCAUYIW-FNORWQNLSA-N 292.285 3.774 30 20 CHED N#CC1(CCCCSC[C@H]2CCCO2)CCC1 901536188 KPOKKMUBWVGVDV-CYBMUJFWSA-N 253.411 3.763 30 20 CHED CCSc1ccccc1[C@@H](C)NCC1(C#N)CC1 903106910 YKONSMAMDNFACA-GFCCVEGCSA-N 260.406 3.753 30 20 CHED CC[C@@H](NCC1(C#N)CC1)c1ccc(OC(F)(F)F)cc1 903107014 ZMAZZQVHRZNQQH-CYBMUJFWSA-N 298.308 3.930 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1NC1CCCCC1 913946314 PEERUNDZFGLOOM-ZDUSSCGKSA-N 285.391 3.919 30 20 CHED Oc1cccc(C=NNCc2ccc(Cl)cc2Cl)c1 914696768 MXAFKXBLHAGCMG-UHFFFAOYSA-N 295.169 3.823 30 20 CHED CC(C)=CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 915175220 QCCZTBLWZRMHPC-UHFFFAOYSA-N 293.326 3.650 30 20 CHED CCCCCCCCN1C(=O)NC2(CCCCC2)C1=O 915658988 KEHSYZYWFYJXHD-UHFFFAOYSA-N 280.412 3.602 30 20 CHED CCCCNN=C(C)c1ccc2ccccc2c1O 915970091 XHBAANZRASIZPP-UHFFFAOYSA-N 256.349 3.659 30 20 CHED C=C(C)CNC(=S)N(CC)c1cc(C)cc(C)c1 917596312 RWBVIPOQIQJGAT-UHFFFAOYSA-N 262.422 3.580 30 20 CHED C=C(C)CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 917820160 PHRNUVUHNRHMIU-UHFFFAOYSA-N 298.361 3.995 30 20 CHED CCCCCCCOC(=O)c1cc(C(C)C)[nH]n1 918494095 MYVIZQNMIXANBJ-UHFFFAOYSA-N 252.358 3.660 30 20 CHED N#CCC1(CSc2nc3ccc(F)cc3o2)CC1 919853358 GWUYUHUJQWYHTO-UHFFFAOYSA-N 262.309 3.753 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C/C=C\c1ccco1 920375454 TYSOMTREQBDEOX-ORSVNFICSA-N 291.694 3.952 30 20 CHED CCCCCCCCCN[C@H]1C[C@H](C)n2ncnc21 924582782 TXFFAQCFHVCROG-KBPBESRZSA-N 264.417 3.624 30 20 CHED COc1c(F)cc(F)cc1N[C@H](C)CC(C)(C)C#N 926084566 NIUJBWBXVJYSGK-SECBINFHSA-N 268.307 3.714 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1cccs1)C1CC1 929905520 KBSILMUZDTWZHI-GFCCVEGCSA-N 263.406 3.841 30 20 CHED C=C1CCN(C(=O)Nc2nc3ccsc3s2)CC1 930247349 NSSPHZQBWWRNBZ-UHFFFAOYSA-N 279.390 3.542 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](C(C)(C)C)C(F)(F)F 933657107 HBBWINOCOYFHMZ-CYBMUJFWSA-N 298.308 3.574 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)CCCC(F)(F)F 935640031 PVVKAHYLBKRYMO-WDEREUQCSA-N 265.319 3.826 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NOC(C)(C)C)C1 1117703870 HRBYUZKQNPQXSB-LBPRGKRZSA-N 269.385 3.691 30 20 CHED CCCCOc1ccc(C(=O)N(CC)[C@H](C#N)CC)cc1 1121252994 KYUSKCLZZLAPMR-HNNXBMFYSA-N 288.391 3.630 30 20 CHED C=C(CC)C(=O)Nc1ccc2oc(C3CC3)nc2c1 1123494639 NLRUTMIUSFKTGR-UHFFFAOYSA-N 256.305 3.610 30 20 CHED CCCc1ccccc1NC(=O)c1ccc(C#N)cc1F 1124624201 BLNMFFUORWUZMB-UHFFFAOYSA-N 282.318 3.902 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C1Cc2ccccc2C1 1130936202 CMZKBFYVPRSUIE-UHFFFAOYSA-N 296.757 3.565 30 20 CHED CCc1nc(C#N)cc(S[C@H](C)c2cccc(OC)c2)n1 1162773137 ANIPTHMCRGHPIO-LLVKDONJSA-N 299.399 3.773 30 20 CHED COc1cc(C#N)ccc1CN1CCCCCCCC1 1170341691 BTIYPFISSATFHD-UHFFFAOYSA-N 272.392 3.723 30 20 CHED Cc1cc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)ccc1C#N 1181753545 PYDUYGKLHQHQJW-MSOLQXFVSA-N 270.420 3.979 30 20 CHED CCCC[C@H](CC)CCCN(C)c1cc(C#N)cnn1 1187091316 PYOMDHKPDQSDNY-AWEZNQCLSA-N 274.412 3.781 30 20 CHED CC[C@@H]1CCC[C@H]1CNCc1cccc(F)c1C#N 1205858968 FZSRHRBKONNKRF-OLZOCXBDSA-N 260.356 3.613 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 1262616532 RQTGKUSOGOQPPL-IBGZPJMESA-N 294.398 3.952 30 20 CHED C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)c2ccccc2O1 1307480480 VUGYIGHQSRVVRJ-GFCCVEGCSA-N 298.773 3.999 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)C(F)F)s1 1307787905 JGBUWFKVKLYUTB-ZDUSSCGKSA-N 278.327 3.716 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1-c1nnc(C)o1 1319931558 PEDXYTBSGDHZFG-UHFFFAOYSA-N 297.358 3.567 30 20 CHED C#CCC1(C(=O)OCc2ncoc2C(C)C)CCCCC1 1320665259 UUHBRDMUNXXOMD-UHFFFAOYSA-N 289.375 3.815 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1cccc(F)c1 1325218648 UJBXMBBALULIOK-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2ncccc2c1 1336238185 KMHQFCBKKSAFON-INIZCTEOSA-N 280.371 3.806 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(OCC(=C)Cl)cc1 1338111491 CKMQXJISBLXDMM-DZGCQCFKSA-N 295.810 3.670 30 20 CHED C[C@@H](NCCCCC1(C#N)CCC1)c1ccccn1 1341008751 RYCKGLVMFOKLEW-CQSZACIVSA-N 257.381 3.596 30 20 CHED N#CC1(c2nnc(Cc3cccc4ccccc34)o2)CCC1 1345514909 YAMUODKXTIYRDP-UHFFFAOYSA-N 289.338 3.759 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NC1CCC(F)(F)CC1 1348724814 AOPVJZAKXNFMBV-CYBMUJFWSA-N 286.366 3.705 30 20 CHED CC[C@H](CC(=O)O[C@H](CC#N)c1ccco1)C(C)C 1350311422 KTOAPZJGGVXADL-TZMCWYRMSA-N 263.337 3.850 30 20 CHED COC1(C(=O)O[C@H](CC#N)c2ccco2)CCCCCC1 1350312689 WCXAIFFXCYXXAB-CQSZACIVSA-N 291.347 3.517 30 20 CHED CCc1cc(C#N)c(NC(=O)c2csc(Cl)n2)s1 1355185264 RJTACDGPMIZRHO-UHFFFAOYSA-N 297.792 3.544 30 20 CHED N#Cc1ncccc1SCc1cccc2ncccc12 1459074999 NATJLMWKRSYJGU-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CCOc1cc(NC(=O)c2ccsc2C#N)ccc1C 1459995150 VUZNIEULGXBHKJ-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C[C@@H]1Cc2cc(CNc3cc(F)cc(C#N)c3)ccc2O1 1474236405 ZGUZEOBCLXQSKS-LLVKDONJSA-N 282.318 3.633 30 20 CHED CC(C)(C)c1ccccc1NC(=O)c1cc(C#N)ccn1 1523813785 ZSVOJZCPZSUUBG-UHFFFAOYSA-N 279.343 3.503 30 20 CHED COc1ccc(C#N)cc1NC[C@@H]1CCCC[C@H]1C 1560497695 BBMZTSADHKEFAU-OCCSQVGLSA-N 258.365 3.805 30 20 CHED CC1(C)CCCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1624592872 WSDAYQADWTVBBN-NSHDSACASA-N 292.329 3.991 30 20 CHED N#Cc1c[nH]cnc1=NCC1(C2CCCCC2)CCCCC1 1651702558 IZABGZUDNUTPDK-UHFFFAOYSA-N 298.434 3.713 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC1CCC1 1653427604 MSECOLUIMHPDFZ-MSOLQXFVSA-N 268.404 3.948 30 20 CHED CSc1ccc(F)cc1CNc1ncc(C#N)cc1F 1655179003 CREOGKQUTOWZEE-UHFFFAOYSA-N 291.326 3.565 30 20 CHED Cc1cc(CSc2ccc(Cl)cc2C#N)nc(C)n1 1656332236 UQODDUVWUVERGD-UHFFFAOYSA-N 289.791 3.911 30 20 CHED CC(C)(C)c1ccc(CCN2CCC[C@H](C#N)C2)cc1 1658882856 CVVCZAGILMUEKV-MRXNPFEDSA-N 270.420 3.762 30 20 CHED C[C@@H]1C[C@H](C(=O)O)CCC1=NO[C@H](C)c1ccccc1 1776083257 UNPLZUKJMJVSIX-YRGRVCCFSA-N 275.348 3.641 30 20 CHED C=C(C)CCCN1CC[C@@H](c2ccccc2C(=O)O)C1 1776138687 DIMYHQFIXXOKFC-CQSZACIVSA-N 273.376 3.530 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCSCCCCC)C1 1776154809 GZVGNTUONIICRT-INIZCTEOSA-N 299.480 3.653 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c(C)s1 8322635 GWIRAJVAWHOKFW-VMPITWQZSA-N 286.352 3.959 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCO2 14202546 WAXJJZXAHPBQRP-SOFGYWHQSA-N 280.323 3.526 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(C)Cc2cccc(C#N)c2)o1 16433550 ZHQREFZWTPESSB-SUMWQHHRSA-N 280.371 3.907 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 31089013 HEXJRIHZNDHFHD-HIFRSBDPSA-N 271.364 3.649 30 20 CHED CCCCN(C)c1ccc(C#N)c(C(F)(F)F)c1 36805565 DSIWEPVYKVJGPT-UHFFFAOYSA-N 256.271 3.813 30 20 CHED C#Cc1cccc(NCc2cnc(N(CC)CC)s2)c1 37185124 GUPWHUHFHFXUMO-UHFFFAOYSA-N 285.416 3.583 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H](C)c1cccc2ccccc12 43236983 FPKHZLNAOCHPGM-KGLIPLIRSA-N 295.386 3.702 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(OCC)cc1 45052915 NJCVBIZKTFTGTP-UHFFFAOYSA-N 297.354 3.902 30 20 CHED C[C@@H]1CCCC[C@@H]1Nc1snc(Cl)c1C#N 48544420 SVHROZKJLIXDMK-APPZFPTMSA-N 255.774 3.659 30 20 CHED Cc1ccc(C[C@@H]2CCCN(c3ncccc3C#N)C2)cc1 50953066 BAZFCDZFZZNCHL-KRWDZBQOSA-N 291.398 3.721 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)cc1)c1cccnc1 57824925 RLCZJRJBNCXQNC-VMPITWQZSA-N 275.254 3.579 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)Cn1ccnc1 59487444 WHTYSHKBKKSONJ-CABCVRRESA-N 251.418 3.610 30 20 CHED N#Cc1cc(Sc2nc3ccccc3s2)ccn1 61815475 QLKXRPXKIDTRRV-UHFFFAOYSA-N 269.354 3.714 30 20 CHED C=CCOc1cccc(NC(=O)NCCCCC)c1 72025502 ZBNZWTQABPPCCK-UHFFFAOYSA-N 262.353 3.563 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1C(F)(F)F 72499629 UCHPJEIXTQJBPF-JTQLQIEISA-N 294.276 3.872 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(C)C[C@H](C)C#N 72567806 NKQDTOHRXRWHDO-HIFRSBDPSA-N 264.413 3.601 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1csc(C)n1 76721273 AUONTPRZBYPAOA-UHFFFAOYSA-N 288.416 3.648 30 20 CHED N#CCCCC[S@](=O)Cc1ccc(C(F)(F)F)cc1 78703287 VZJDCSYVQQDPEF-LJQANCHMSA-N 289.322 3.648 30 20 CHED N#Cc1ccc(SCCCc2ccccc2)nc1 79073703 RELVKUGSQQVKLH-UHFFFAOYSA-N 254.358 3.678 30 20 CHED C=CCOCCCC(=O)Nc1nc2c(C)cccc2s1 79342716 WMRIPXNZMJPPAD-UHFFFAOYSA-N 290.388 3.526 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cccc(F)c2Cl)c1 80003903 SFZRXPUEFHFLFP-UHFFFAOYSA-N 287.721 3.737 30 20 CHED N#CCCSc1ccccc1NC(=O)CC1CCC1 80124929 MQXDODYJTVDLCN-UHFFFAOYSA-N 274.389 3.821 30 20 CHED CC(C)(C#N)CCOc1cccc(Br)c1 83639005 FNDGZQQHAAZPPY-UHFFFAOYSA-N 268.154 3.768 30 20 CHED C#CC[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C1CC1 83971564 MEVKIMUNRYWKTG-HHNLSAEISA-N 291.350 3.593 30 20 CHED C=C[C@H](CC(=O)N(C)c1ncccc1F)c1ccccc1 90127489 IMNWDNBIFVQOAG-CYBMUJFWSA-N 284.334 3.543 30 20 CHED CC1(C)C[C@H](Nc2cnccc2C#N)c2ccccc21 91744712 PCUOIOCQQSNLKZ-HNNXBMFYSA-N 263.344 3.788 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cc(C)ccc1O 92504518 GLUPTLWVUWXBEW-UHFFFAOYSA-N 292.382 3.761 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 93116442 VPCOLZOCVKBCRA-GOSISDBHSA-N 280.346 3.865 30 20 CHED Cc1cc(C)cc(C[S@@](=O)CCCC(C)(C)C#N)c1 93327116 UANXNBSJFSWMAG-LJQANCHMSA-N 277.433 3.882 30 20 CHED O=C(/C=C\c1csnn1)c1cc2cc(Cl)ccc2o1 104300246 JPHXVTBPYFRBOE-IHWYPQMZSA-N 290.731 3.834 30 20 CHED CC(C)(C)CCCC(=O)N[C@H](C#N)c1ccccc1F 108801452 WFQLJJKOCDRUDP-CQSZACIVSA-N 276.355 3.723 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)C1CCCCCC1 110841778 RSLGYVSGGFWRTN-IBGZPJMESA-N 298.430 3.988 30 20 CHED CCOC(=O)C[C@@H](C)S[C@@H](C#N)C1CCCCC1 115198061 AYRZIZDLXZSKNX-YPMHNXCESA-N 269.410 3.534 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(N(CC)C(C)C)cc1 116853688 PSXPOIQRSLTQIN-AWEZNQCLSA-N 274.408 3.616 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(-c2nccc(C)n2)cc1 117007693 FOSNPFVPZRFZNZ-GFCCVEGCSA-N 296.374 3.538 30 20 CHED CC(=O)Nc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1C 118443174 LSYSZSHMERRTFG-ZDUSSCGKSA-N 293.370 3.998 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CC1CCC(C)(C)CC1 120850608 YYICCUUJPYOMOY-INIZCTEOSA-N 264.413 3.647 30 20 CHED CC[C@H](Nc1nccc(C)c1C#N)c1ccccc1 135074714 KIOROJBHYXWYGJ-HNNXBMFYSA-N 251.333 3.825 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1cccc(F)c1 135666203 ZPDWECAVTOFOOA-JTQLQIEISA-N 260.337 3.610 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1cccc(C#N)c1)C2=O 141650415 KVFCNIGXBPSIJD-CXUHLZMHSA-N 289.334 3.834 30 20 CHED Cc1ccccc1CNc1ccc(F)cc1OCC#N 150762152 JVCCCNHNTKNTKN-UHFFFAOYSA-N 270.307 3.649 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC)c1cccc(Cl)c1 153875174 CFWIZQAAVGHWLD-ZDUSSCGKSA-N 266.772 3.619 30 20 CHED CC#CCCSc1nnc(-c2ccc(Cl)cc2)o1 155072397 NGNCXTHOKTWNQD-UHFFFAOYSA-N 278.764 3.896 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NCc1cccc(C#N)c1 155898422 MHJWFCCDRTUMJA-CJNGLKHVSA-N 256.393 3.863 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1Cl 157620792 LYTTXFIKZNANJA-IAQYHMDHSA-N 288.778 3.616 30 20 CHED Cc1nn(C)c(Cl)c1CSc1cccc(C#N)c1 158702837 WGVDCGSWODQTGY-UHFFFAOYSA-N 277.780 3.546 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1F)c1nc(C)cs1 162537990 YEXVFUPBLFXPFH-CQSZACIVSA-N 289.379 3.703 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 169155682 CMUMEULRUGJTFV-ZETCQYMHSA-N 290.672 3.847 30 20 CHED C#CCCCOC(=O)CCCc1ncc(-c2ccccc2)o1 170711838 RSQIFRKBIASTPY-UHFFFAOYSA-N 297.354 3.621 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2)o1 176228984 LYLJXFAERMCUJI-QGZVFWFLSA-N 298.342 3.740 30 20 CHED C=CCSCCNC(=O)Nc1cc(C)ccc1Cl 178249568 GSTCAYKTOKSESP-UHFFFAOYSA-N 284.812 3.689 30 20 CHED C#CCCSc1nnc([C@H](CC)c2ccccc2)o1 179269890 YVEZLIVAKVNZIZ-CYBMUJFWSA-N 272.373 3.727 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC(C)(C)C1 179273344 TXZSXIMWYCCHIN-INIZCTEOSA-N 284.403 3.733 30 20 CHED CCC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CCC1 179551004 OBSFDFNECQQJLZ-ZDUSSCGKSA-N 276.767 3.601 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)CSCc1ccccc1 180413752 FWFPDWJVWIOMMC-CQSZACIVSA-N 277.433 3.590 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 180951053 FCFKYUHCJQWTNQ-MNOVXSKESA-N 285.334 3.912 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C(C)(C)C 181332423 AFPRHWQQQVXHQO-MRXNPFEDSA-N 295.386 3.712 30 20 CHED Cc1cccc(NC(=O)C2(C#N)CCCCC2)c1F 182301393 PPLQWVDGNYHWJP-UHFFFAOYSA-N 260.312 3.547 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2ccccc2)nc1C 183478156 LEBJKYUGCLSNBZ-CQSZACIVSA-N 280.327 3.516 30 20 CHED C[C@@H]1CCCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 185703123 SNMDZYQAHCEOAQ-WBVHZDCISA-N 299.418 3.863 30 20 CHED Cc1cccc2c(CCN[C@H]3CCC[C@H](C#N)C3)c[nH]c12 185840937 QUWXGFQBWDGVHD-HOCLYGCPSA-N 281.403 3.691 30 20 CHED C=CCC[C@H](NC[C@@H](C)c1nccs1)C1CC1 186745339 PHKYQISCOSWPAJ-YPMHNXCESA-N 250.411 3.581 30 20 CHED C#CCOc1ccccc1NC(=O)CC1=CCCCC1 187198942 JEORLKWBSQISNN-UHFFFAOYSA-N 269.344 3.528 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C(C)C)CC1 188411812 BVWSFSABBOKHFX-HOCLYGCPSA-N 251.414 3.873 30 20 CHED Cn1ccc2cccc(NCc3ccc(F)c(C#N)c3)c21 190806654 VMXXFDXQUAYXTE-UHFFFAOYSA-N 279.318 3.801 30 20 CHED CC(C)(C#N)CCCSC[C@@H]1CC2(CCC2)C(=O)O1 191072596 SDGZDZCYJVEMSO-LBPRGKRZSA-N 281.421 3.535 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2sccc2[nH]1 192202304 HTZWMCMRRGQMIL-JTQLQIEISA-N 262.378 3.704 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1C 193129337 QQIUXIJFEDDHJL-CMDGGOBGSA-N 277.323 3.771 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1C 193134768 MASDNIUVBZDTNR-FNORWQNLSA-N 286.302 3.744 30 20 CHED N#Cc1cccc(COc2ccc(Cl)cc2)c1F 223536622 FMHHQVXAALNDFB-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1cccc(-c2noc(-c3ccc(C#N)s3)n2)c1 230958181 MSRNVYMFMDWYEM-UHFFFAOYSA-N 267.313 3.645 30 20 CHED C=CCN(c1ncc(Br)cc1Cl)C1CC1 236048592 PXHOOCGEVTZTBQ-UHFFFAOYSA-N 287.588 3.652 30 20 CHED CCN(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 247257826 ZQBMUPRQHCHQMF-JYJNAYRXSA-N 282.387 3.737 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C 248167214 PCAHSGQQAVDFGF-CJNGLKHVSA-N 293.382 3.620 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 248167216 PCAHSGQQAVDFGF-CZUORRHYSA-N 293.382 3.620 30 20 CHED Cc1ccc(NC(=O)C2CC2)cc1N=Cc1ccccc1O 254956610 YLILEXIURLBMHC-UHFFFAOYSA-N 294.354 3.800 30 20 CHED N#Cc1ccc(C[S@](=O)C/C=C\c2ccccc2)cc1 254984353 PFLVRQLQNRVMIU-DHBDYNCWSA-N 281.380 3.520 30 20 CHED CCOc1ccc(C=NOCc2cccc(F)c2F)cc1 254988477 RCESNVJTFWFQOQ-UHFFFAOYSA-N 291.297 3.914 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1nc(C2CC2)cs1 255285587 FTIXWTZLBPJQEE-FPLPWBNLSA-N 295.367 3.544 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3ccc(F)cc3F)cnc12 255648012 NZYBXRRHCCUMCX-ALCCZGGFSA-N 298.292 3.817 30 20 CHED CCc1cccc2c1OCC[C@@H]2NCc1cccc(C#N)c1 264358474 HHSSEJJQXBQAMG-SFHVURJKSA-N 292.382 3.734 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2Cl)nc(C2CC2)n1 264670411 UENRIHOOTUMDMB-UHFFFAOYSA-N 285.734 3.980 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2cccc(OC)c2)cc1 264936425 DEOAGNCMPDTFSF-OAHLLOKOSA-N 295.382 3.558 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2c2ccccc2)c(Cl)c1 265172948 YXYMRJWIYSGXSH-OAHLLOKOSA-N 283.762 3.948 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ncccc1C 267334134 BJHXLWFMGCFEMS-UHFFFAOYSA-N 272.392 3.599 30 20 CHED N#CCCCCN1CCCCC[C@H]1C[C@@H](O)c1ccco1 268397269 STXCCPBXJDHEFM-JKSUJKDBSA-N 290.407 3.642 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)c1ccccc1C#N 269850023 PCOYSUGBRWUXLJ-KBPBESRZSA-N 296.395 3.695 30 20 CHED CCCCCCCC[S@](=O)c1ccc(CO)cc1 276678436 SIQUMNUFGZNJOF-SFHVURJKSA-N 268.422 3.647 30 20 CHED CC(C)(C#N)CCCCSc1cc(C#N)ccn1 277771197 SRBOGOBTIWGIEY-UHFFFAOYSA-N 259.378 3.765 30 20 CHED Cc1ccc(C)c(N(C(=O)CC(C)(C)C#N)C(C)C)c1 278183474 BFISOUSXBITTLZ-UHFFFAOYSA-N 272.392 3.985 30 20 CHED Cc1cc([C@H](NC(=O)CC(C)(C)C#N)C2CC2)ccc1F 278285882 CBPGHNMRPBBDTK-MRXNPFEDSA-N 288.366 3.641 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CC(C)(C)C#N 278432035 ZKCQCGVFQVNDFZ-GFCCVEGCSA-N 292.810 3.669 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)CC(=O)c1ccccc1F 281710474 MTBMLYBXPVCENR-OLZOCXBDSA-N 291.366 3.506 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 285242988 ZBKSXKJPCSIGBL-MRXNPFEDSA-N 291.370 3.549 30 20 CHED C#CC[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccccc1 290181520 VOBSWCCMWOTNKO-IBGZPJMESA-N 293.410 3.768 30 20 CHED Cc1ccc([C@H]2CCCCN2c2ncccc2C#N)cc1 301505892 CSQUGFUQKNFUDY-QGZVFWFLSA-N 277.371 3.993 30 20 CHED N#Cc1ccnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 301615556 BLGCQLPPYOIFHT-UHFFFAOYSA-N 291.719 3.666 30 20 CHED CCOc1cc2nccc(NC[C@H](C)C#N)c2cc1OCC 302056962 RCHVFELOGZGPQQ-GFCCVEGCSA-N 299.374 3.604 30 20 CHED C=CCSCCNc1ccnc2c(F)cccc12 302689507 RGFKAEDWKLMFJL-UHFFFAOYSA-N 262.353 3.705 30 20 CHED COCCOc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 314530462 BMFAROMJQDAAHB-AWEZNQCLSA-N 296.370 3.757 30 20 CHED OC(=Nc1nncn1C1CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329123699 RXIPTKKRQBRQRS-FPMFFAJLSA-N 288.395 3.808 30 20 CHED CC1(C)C(O)=Nc2cc(/C(O)=N/[C@@]3(C#N)CC3(C)C)ccc21 329143389 MBGXEZXSSJBMEL-QGZVFWFLSA-N 297.358 3.563 30 20 CHED CCc1nnc(C)cc1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329795712 WOZDBPRXTKUPIA-BFHYXJOUSA-N 287.407 3.621 30 20 CHED Cc1ncc(/C(O)=N/[C@H]2CCCc3ccc(F)cc32)c(C)n1 330081137 JVMPADHUKFBDCH-INIZCTEOSA-N 299.349 3.615 30 20 CHED CC[C@H]1CC[C@H](C)N1C(O)=Nc1ccc(C)c([N+](=O)[O-])c1 330632702 REPYGWUSBJSQHO-AAEUAGOBSA-N 291.351 3.712 30 20 CHED CC[C@H](NC(O)=Nc1cc(C)cc(C)c1)C1CCOCC1 330947746 BLVFYKLIMHUFOF-INIZCTEOSA-N 290.407 3.644 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](NC(=O)CCCC#N)CC1 332048436 VNCABWXTGHNBHQ-KGLIPLIRSA-N 264.413 3.791 30 20 CHED CC(=O)c1cc(C(=O)Nc2scc(C)c2C#N)ccc1C 335141486 GZTNNAJHTJEELY-UHFFFAOYSA-N 298.367 3.692 30 20 CHED CCN(C(=O)c1sccc1Cl)c1ccc(C#N)cc1 335362989 SZLFYJSLKUSSLX-UHFFFAOYSA-N 290.775 3.940 30 20 CHED N#CCC1CCN(c2ncc(Cl)cc2Cl)CC1 336123545 YZQSNYKRXDEKCK-UHFFFAOYSA-N 270.163 3.518 30 20 CHED N#CC1(CCCN2CCC[C@@H]3CCCC[C@H]32)CCOCC1 337123057 BPTAQVQURJSZLU-DLBZAZTESA-N 290.451 3.742 30 20 CHED C=C1CCN(c2nnc([C@H](C)CC)n2CC(C)C)CC1 338993219 XWGPJTSLBTWKEG-CQSZACIVSA-N 276.428 3.604 30 20 CHED C[C@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccn1 339232114 HYOXKIJICRJJGY-ZDUSSCGKSA-N 293.370 3.625 30 20 CHED C=CC[C@H](CO)CN[C@H](CC)c1ccc(Cl)cc1 341893935 ZGSBCHLPYJEWGW-SWLSCSKDSA-N 267.800 3.565 30 20 CHED CCOc1cccc([C@H]2C[C@@H]2Nc2snc(C)c2C#N)c1 342919304 UBKOPPJVDAXDMN-HIFRSBDPSA-N 299.399 3.690 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCOc2ccc(OC)cc21 344093039 CHVMOBZDMIINRT-CJNGLKHVSA-N 275.392 3.853 30 20 CHED N#CC[C@@H](Cc1nc([C@H]2CCCS2)no1)c1ccccc1 346952962 BDOZBKCEGWUQAN-UONOGXRCSA-N 299.399 3.878 30 20 CHED C=CCn1cccc1-c1nc([C@@H]2CCC(F)(F)C2)no1 347241955 JZPJRYYSAMGGIZ-SNVBAGLBSA-N 279.290 3.627 30 20 CHED CC(C)(C)c1ncc(/C=C\c2ccncc2C#N)s1 347449604 RQEVVEYOPYWNAI-PLNGDYQASA-N 269.373 3.878 30 20 CHED C=CC[C@@H]1N(C(=O)C[C@@H](C)SC)CCCC1(C)C 347477149 CIVUBWPNGFFPRP-OLZOCXBDSA-N 269.454 3.721 30 20 CHED C=CCOCCCN[C@H](Cc1ccccn1)c1ccccc1 348093454 ZXZHQMIHGWBGII-LJQANCHMSA-N 296.414 3.548 30 20 CHED C=C(C)CCN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 351732889 VIRUXHXGSLZDJK-SNVBAGLBSA-N 289.345 3.679 30 20 CHED C=CC[C@@H]1N(Cc2cccnc2C)CCCC1(C)C 352367687 BCTHUHBJPAQGRD-INIZCTEOSA-N 258.409 3.957 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(C)C)nc1C 352771507 NNKMGWGTUDIERI-ZDUSSCGKSA-N 260.381 3.598 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)C[C@@H](CC#N)c1ccccc1 356814812 JPWKKUIEQOYPSH-USXIJHARSA-N 284.403 3.721 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc(F)c2C#N)C1 358285259 CVPVKQWPDKEVDH-GFCCVEGCSA-N 288.366 3.596 30 20 CHED CC1(C)CCCN(c2ncc(C#N)cc2Cl)CC1 361109376 NEUHXOPFSXYNHH-UHFFFAOYSA-N 263.772 3.623 30 20 CHED CC(C)N(Cc1ccc(C#N)c(F)c1)Cc1ccco1 361715222 YZTUMSUJTNBRDH-UHFFFAOYSA-N 272.323 3.701 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)s1)c1ccc(C)cc1 362981866 ZLXOIKBPDMDOQJ-CQSZACIVSA-N 284.384 3.809 30 20 CHED N#Cc1ccc(C2=CCN(Cc3ccccc3C#N)CC2)cc1 367209838 VZVVJAOOKPIZNM-UHFFFAOYSA-N 299.377 3.719 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2ccco2)cc1 371521367 COIDZPBQTHZVRM-HZPDHXFCSA-N 294.354 3.638 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCC3(CCC3)CC2)c1 376474325 NLIVKUVBNXRUSB-UHFFFAOYSA-N 288.778 3.618 30 20 CHED N#Cc1cc(F)c(NC2CCCC2)cc1Br 380469385 FICOXJPZTHDDRC-UHFFFAOYSA-N 283.144 3.814 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(OC)cc1F 381141135 DLRMIRKVDINWCL-LBPRGKRZSA-N 251.345 3.841 30 20 CHED CC(C)(COCc1ccccc1)NCc1cccc(C#N)c1 390013917 OWRWMLSUBUIWBP-UHFFFAOYSA-N 294.398 3.643 30 20 CHED CC#CCNC1(c2c(Cl)cccc2Cl)CC1 393770502 GTKCSEHEIATYGJ-UHFFFAOYSA-N 254.160 3.595 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 397701453 RPAZSPYXNGQJSL-JTQLQIEISA-N 297.185 3.759 30 20 CHED CC[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1Cl 399742112 JHTAMDPOSGSWBH-SMDDNHRTSA-N 262.784 3.832 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(C1CC1)C1(C#N)CCC1 410752033 ZCSAWYDVWCCYRT-AWEZNQCLSA-N 276.424 3.886 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)CCC 412838320 JXDOLBOOYBAZPH-ZBFHGGJFSA-N 259.393 3.726 30 20 CHED Cc1occc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 414392622 BSQSTUHUDAZRAR-MSOLQXFVSA-N 280.371 3.860 30 20 CHED Cc1ccccc1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416107407 OKVWALUXFXRGKP-SFHVURJKSA-N 290.366 3.674 30 20 CHED C=CCC[C@@H](NC(=O)NC[C@@H]1CC12CC2)c1ccccc1 416706047 WQYRQXYAEVFSJR-JKSUJKDBSA-N 284.403 3.793 30 20 CHED C=CCCCCCN1CCC(OC2CCC2)CC1 419293517 ALXWMMUQKWDEDZ-UHFFFAOYSA-N 251.414 3.766 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccc(C)s2)no1 424363766 PISAVBGGPFTYLU-UHFFFAOYSA-N 262.378 3.884 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnn(CC(C)C)c1C1CC1 424842828 GBNSZGOOJKFKFZ-UHFFFAOYSA-N 289.423 3.957 30 20 CHED CC(C)(CCC#N)CN1CC2(CCC2)[C@H]1C1CCOCC1 425371440 LLKOWIKZGUSXOF-MRXNPFEDSA-N 290.451 3.597 30 20 CHED C=CCCCCCN1CC[C@@H](c2ccccc2)S1(=O)=O 427512048 QGYCQYXDNWNLIB-INIZCTEOSA-N 293.432 3.510 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C(=O)OC)c1ccc(F)c(C)c1 428397363 BVIYMUMHFUJRKD-RBOXIYTFSA-N 293.382 3.539 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(Br)c1 429817072 ACXCMXFSYFQIMU-UHFFFAOYSA-N 296.208 3.668 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](C(C)C)C1 436313670 BUEYUTKEEDPKSQ-HUUCEWRRSA-N 266.429 3.809 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C(C)C)c(O)cc1C 436563871 FOKDCTBQAYYGNZ-LBPRGKRZSA-N 261.365 3.518 30 20 CHED CCC[C@]1(C)CCCN(C(=O)Nc2cccc(C#N)c2)C1 437654077 JJNWFPZRFABAMA-QGZVFWFLSA-N 285.391 3.992 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(CN3CCCCC3)c2)C1 442857735 NOWXIPYSCGTKJN-CRAIPNDOSA-N 283.419 3.777 30 20 CHED CS[C@H]1CCC[C@H](NCc2ccc(C#N)c(C)c2)C1 443995451 QXCRXZAEJLXPIL-HOTGVXAUSA-N 274.433 3.631 30 20 CHED CCCOc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1Cl 448747245 JFVXSWXCULTQTP-MEBBXXQBSA-N 292.766 3.617 30 20 CHED C=CC(C)(C)C(=O)N1CCC(Cc2ccccc2F)CC1 448971345 UKKIDDDFMFSLKI-UHFFFAOYSA-N 289.394 3.819 30 20 CHED C=C(CC)CNCc1nc2cc(C(F)(F)F)ccc2n1C 449731159 HOCFVKVSZWECQO-UHFFFAOYSA-N 297.324 3.648 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 450363321 UUJUSXOEHPLPAA-TYILLQQXSA-N 296.414 3.508 30 20 CHED N#Cc1c(Cl)cccc1NCC1(C(F)F)CC1 450490198 KISYOLRSVOXRJW-UHFFFAOYSA-N 256.683 3.669 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccc(F)c(Cl)c1)C1CC1 451350777 DKHMAVLICOFAGQ-CJNGLKHVSA-N 297.801 3.847 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)CCC=C(C)C)OCC 452538946 DZBFZYLAZDFGAU-HUUCEWRRSA-N 267.413 3.609 30 20 CHED C=C(C)CCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 452743009 SSNPQRJNJAHMFA-JKSUJKDBSA-N 257.377 3.653 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H]1CCc2ccccc2C1 452778832 ZONNSXBDJFBPSM-AWEZNQCLSA-N 271.404 3.510 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc([C@@]2(C#N)C[C@@H]2C)n1 453191529 YTHHBNXYMBOUIY-OZTPJHRESA-N 259.353 3.555 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cccc(N2CCCC2=O)c1 453303514 CQZYXWHVRQJTNF-CQSZACIVSA-N 286.419 3.676 30 20 CHED C=CCC1(CN[C@@H](C)c2cccc(CO)c2)CCCC1 453347105 DXUAJXBTXDAEHW-HNNXBMFYSA-N 273.420 3.966 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(F)c(Cl)c1 454197854 OHFRXRDEENXZKJ-UHFFFAOYSA-N 256.708 3.567 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(Cl)c(F)c1 454484289 QWLRPKSUIHDKTL-UHFFFAOYSA-N 256.708 3.567 30 20 CHED C=CC(C)(C)CNC(=O)N(C)C/C(C)=C\c1ccccc1 455387566 PYGPTUIUAATBLN-QINSGFPZSA-N 286.419 3.944 30 20 CHED C=C(C)CCNC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 459003047 OEEKOTNZUVSTMQ-ZDUSSCGKSA-N 278.371 3.884 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cccc(-n2cccc2)c1 459433064 BJJCQBSQSQOZFV-UHFFFAOYSA-N 296.374 3.539 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(CC#N)c1ccccc1 460051194 BLZMDPGZYPYSJE-GOEBONIOSA-N 270.376 3.760 30 20 CHED CCc1ccc(NCCOc2cccc(C#N)c2)cc1 462206082 XIYIGXDUKKSPGQ-UHFFFAOYSA-N 266.344 3.612 30 20 CHED CC#CCCSc1nnc2cc(C)c3ccccc3n12 462365647 DUUVNNSQJLYYHM-UHFFFAOYSA-N 281.384 3.696 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 463279364 PLIKMWRXMDCZJV-YOEHRIQHSA-N 286.419 3.918 30 20 CHED N#Cc1cc(N[C@@H]2C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] 463653557 BSBKIELCXMYION-CZUORRHYSA-N 293.326 3.510 30 20 CHED C=CC[C@H](C(=O)N(C)[C@@H]1CC[C@@H](C)C1)c1ccccc1 464478691 GAWJSRVPLMIRAM-OIISXLGYSA-N 271.404 3.993 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CC)Cc1ccc(Cl)cc1 464753170 HGQAFEBKYQQQSG-BXUZGUMPSA-N 280.799 3.535 30 20 CHED C=C[C@H](C)NC(=O)C1(c2cccs2)CCCCC1 465144384 DGAKPRPOCLRIFE-LBPRGKRZSA-N 263.406 3.641 30 20 CHED C=CC[C@@H](CC)NC(=O)CCSc1ccc(OC)cc1 466533574 YHSMTVXXPMYOMT-CYBMUJFWSA-N 293.432 3.648 30 20 CHED C=CC[C@@H](C(=O)N1CCCC(C)(C)C1)c1ccccc1 466637896 RTYYIXVJQHZFLO-MRXNPFEDSA-N 271.404 3.995 30 20 CHED CN(CCCOc1ccccc1)Cc1cc(F)ccc1C#N 469232888 RLHOOXAMGSMTBC-UHFFFAOYSA-N 298.361 3.598 30 20 CHED C=CCOCCCN1CC[C@@H](c2ccc(C)cc2C)C1 471007489 QTSHNADUDRDRJE-QGZVFWFLSA-N 273.420 3.685 30 20 CHED C=CCCCCNC(=O)c1ccc(SCC)cc1 471668332 PYONUUCOJWAIIZ-UHFFFAOYSA-N 263.406 3.885 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H]1CCCCc2ccccc21 477007800 VOUULQNJPIZGGW-CZUORRHYSA-N 289.444 3.878 30 20 CHED C=CCC[C@H](C)NC[C@H]1CCC2(CCCCC2)O1 477869838 YJAAFWXAFGGVGT-LSDHHAIUSA-N 251.414 3.813 30 20 CHED C=C(CNC(=O)NCc1ccc(C)s1)c1ccccc1 478875466 XHERYNOBKBISMH-UHFFFAOYSA-N 286.400 3.569 30 20 CHED C=C(C)CNC(=O)c1ccccc1NC1CCCCC1 480776869 GTBUYKQAGGKQRE-UHFFFAOYSA-N 272.392 3.737 30 20 CHED CC[C@H]1[C@@H](C)CCN1Cc1ccc(Cl)cc1C#N 481377136 WQAFRIYODDMLHR-NHYWBVRUSA-N 262.784 3.832 30 20 CHED C=CCCCC(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 482860216 AFFQRTGQFAQGBW-ZIAGYGMSSA-N 275.367 3.934 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H](c2ccc(F)cc2)C1 483107377 RAHHLIJNJVYUAJ-HNNXBMFYSA-N 298.336 3.826 30 20 CHED COc1ccccc1/C=C/C=C\c1ncccc1C#N 486050663 HMTKIPNWOYSGRY-ZAQQWGAGSA-N 262.312 3.688 30 20 CHED CCC[C@@H](C(=O)N(CCC#N)CCC(C)C)C(C)C 486320036 PEXGBGRUILLZQD-OAHLLOKOSA-N 266.429 3.847 30 20 CHED C=C[C@H]1CCCCN1Cc1nc(C(F)(F)F)cs1 489451912 UXHNSYFKVKIWRE-VIFPVBQESA-N 276.327 3.702 30 20 CHED C=CC[C@H]1N(C(=O)/C=C/C2CCOCC2)CCCC1(C)C 493423938 BHJHPPQWHKCQTP-KXPUMZMLSA-N 291.435 3.563 30 20 CHED N#Cc1ccc(C2=CCN([C@@H]3C=CCCC3)CC2)cc1 502499406 DSUNINCNTBHVCC-GOSISDBHSA-N 264.372 3.756 30 20 CHED C=CCOc1cccc(CN2CCn3cccc3[C@@H]2C)c1 505663643 QYHGVIKKUPTLHQ-HNNXBMFYSA-N 282.387 3.630 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)c1ccccc1F 509155811 UEOIGIMJGRLNBY-UHFFFAOYSA-N 282.318 3.673 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 511395001 FKYCETJPMDYRSO-OWCLPIDISA-N 261.409 3.772 30 20 CHED N#Cc1cc(N(C#N)Cc2ccc(Cl)cc2)ccc1F 525757912 BPOWRJBYWLQFAR-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ncccc1F 528036431 RVJICHSXXLEVLI-MNOVXSKESA-N 287.313 3.643 30 20 CHED CCC(C#N)(CC)c1nc(Cc2cccc(Cl)c2)no1 528066666 WJEKMTWBAWOUGL-UHFFFAOYSA-N 289.766 3.895 30 20 CHED N#Cc1cc(F)c(N2CCC[C@@H]2c2ccccn2)c(F)c1 531385337 PGDIHLMUMWIDKU-OAHLLOKOSA-N 285.297 3.573 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)Nc1cc(CC#N)ccn1 531924545 HJDBQJHYJYPSBI-HNNXBMFYSA-N 285.391 3.693 30 20 CHED C=C(CC)CSCC(=O)Nc1ccc(C)c(F)c1 537993735 RJBTUQHNBZUWRI-UHFFFAOYSA-N 267.369 3.772 30 20 CHED C=CCCN[C@@H](C)c1ccc(OCc2cccnc2)cc1 539226352 MTJJALBWNLSZKM-HNNXBMFYSA-N 282.387 3.887 30 20 CHED Clc1cccc(C#CCNC2(c3ccccc3)CC2)c1 539256642 FXOQNKUXVNPWIO-UHFFFAOYSA-N 281.786 3.970 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)OC1CCCCCC1 539441192 UNLCTXPTDVYQAB-HUUCEWRRSA-N 281.440 3.975 30 20 CHED CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NCc1ccc(C#N)s1 540651926 MWSRWLOTHQTCQP-GLQYFDAESA-N 292.448 3.549 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1c[nH]c2c(C)cccc12 542187055 XHBCCTMGFVRSNV-HNNXBMFYSA-N 299.418 3.673 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(CC#N)cc2)n1 543206073 NXBVSVDNLZEFAD-LJQANCHMSA-N 291.398 3.793 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(C)CC(C)C 549646086 GRPMPUBQKVQITQ-UHFFFAOYSA-N 276.428 3.604 30 20 CHED CC(C)Cn1ncc(N[C@@H]2CC[C@@H](C#N)C2)c1C1CC1 554117283 DOQBHWCMYWOBBR-TZMCWYRMSA-N 272.396 3.521 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(F)c(Cl)c1 555720292 GHNSLKSFPHHHKX-UHFFFAOYSA-N 269.747 3.698 30 20 CHED N#CCC[C@H](NC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 556748883 ZZPMKAHIOMOBAN-LTIDMASMSA-N 297.402 3.519 30 20 CHED CC[C@H](C)C[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 556886818 PCNJBMGFTBDIKX-JKSUJKDBSA-N 299.462 3.941 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1c1nccc(C#N)c1Cl 557605301 JNKDSVAOYTWRCD-IUODEOHRSA-N 297.789 3.989 30 20 CHED CC1(C)CN(CC#Cc2ccccc2)[C@H]2CCC[C@H]21 559432831 XSXSOURZYZYIAG-SJORKVTESA-N 253.389 3.549 30 20 CHED CC(C)c1ccc(C(=O)N[C@H](C#N)C(C)(C)C)s1 562147490 LZBMAIMAYDDCHS-GFCCVEGCSA-N 264.394 3.540 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1cccnc1C#N)CCC2 564260553 CZUSXUJQZUNVSZ-HNNXBMFYSA-N 263.344 3.751 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](CC)c1ccccc1OC 564492943 TYQLOCITWSVRCJ-DZGCQCFKSA-N 290.407 3.752 30 20 CHED Cc1nc(N2CC[C@H](C)[C@H]3CCCC[C@@H]32)ccc1C#N 567167609 RRSZXYWECUHQIK-MAZHCROVSA-N 269.392 3.667 30 20 CHED C=CCCc1nc(-c2ccc(Cl)cc2F)no1 567456267 FYFZUVNUMNDIQY-UHFFFAOYSA-N 252.676 3.648 30 20 CHED CC#CCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 571119178 FRVSSHXRLFETLQ-VXGBXAGGSA-N 296.197 3.579 30 20 CHED N#Cc1ccccc1CNc1cccc(F)c1Cl 571561847 UUMNDRVJZHWOKA-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC1(C)CN(Cc2cccc(F)c2C#N)[C@H]2CCC[C@@H]21 578456455 FSKKJNLARWFLNX-HOCLYGCPSA-N 272.367 3.708 30 20 CHED CC[C@H](C)N(C)CCNc1cc(C#N)ccc1C(F)(F)F 583413839 ZYYXJRQRRLFPAU-NSHDSACASA-N 299.340 3.719 30 20 CHED C[C@@H](Cc1ccsc1)N[C@H]1CCc2ccc(C#N)cc21 583470553 SFJQEOPNOYHCKT-SJCJKPOMSA-N 282.412 3.828 30 20 CHED C=CCCC1(c2nc(-c3ccccc3OC)no2)CC1 584197244 BVDRFRKLDWIKBW-UHFFFAOYSA-N 270.332 3.743 30 20 CHED C=CCCC(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 588018677 GJFLVOULZGCPFY-LJQANCHMSA-N 295.382 3.867 30 20 CHED CC(C)Oc1cc(O)ccc1NC(=O)CCCCCC#N 588721561 XYZIFEFZHWWIFF-UHFFFAOYSA-N 290.363 3.592 30 20 CHED CCOc1ccc(OC)cc1NC(=O)CCCCCC#N 588753721 YGAGOXYRLMJZFN-UHFFFAOYSA-N 290.363 3.506 30 20 CHED CN(C(=O)CCCCCC#N)C(C)(C)c1ccccc1 588990333 RZEBOBFOPZJRTF-UHFFFAOYSA-N 272.392 3.854 30 20 CHED Cc1cc(C#N)ccc1CN1Cc2ccccc2O[C@@H](C)C1 590025136 VFDVRMCVUWKTFP-HNNXBMFYSA-N 292.382 3.650 30 20 CHED N#CC1(CCOc2ccccc2-c2nnco2)CCCCC1 591367773 LDRNKDUUGYUYQX-UHFFFAOYSA-N 297.358 3.980 30 20 CHED C[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1cccc(C#N)c1 592600457 WLEFMBHDUDHPNN-VBNZEHGJSA-N 284.403 3.808 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 592626415 YQIUGGVRLPNLQH-UAGQMJEPSA-N 296.414 3.734 30 20 CHED COC(=O)C1CC(c2ccc(-c3cccc(C#N)c3)cc2)C1 592988070 DZLIFSWHQWZPOL-UHFFFAOYSA-N 291.350 3.892 30 20 CHED CCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc(C#N)cc1 593072690 LDOGYRCXDCOGNK-UKPHBRMFSA-N 280.371 3.513 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1ccccc1 594711947 SHCNBZGILFOGLL-SFHVURJKSA-N 264.372 3.842 30 20 CHED N#CC1(Cc2nc(Cc3cccs3)no2)CCCCC1 594732963 YIUQWKYNXOYUDA-UHFFFAOYSA-N 287.388 3.738 30 20 CHED C=CCCSCc1ncsc1Br 596341494 FHFQWFUXGQWXII-UHFFFAOYSA-N 264.213 3.715 30 20 CHED Cc1nsc(N[C@@H]2CC[C@@H]2c2ccccc2)c1C#N 596497892 FXKFAQFQPOSZCB-TZMCWYRMSA-N 269.373 3.681 30 20 CHED CCc1ncsc1NC(=O)CC1(C#N)CCCCC1 597420157 HULHLWBORJNNQV-UHFFFAOYSA-N 277.393 3.508 30 20 CHED CCN(C(=O)[C@@H](C)c1ccc(CC(C)C)cc1)[C@@H](C)C#N 598357451 HHRQEZNRLKBREJ-GJZGRUSLSA-N 286.419 3.749 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C[C@H](O)CC(C)(C)C#N 598592803 NHGHMSRGCDEUCZ-SJORKVTESA-N 288.435 3.616 30 20 CHED Cc1cc(C)n(-c2cccc(NC[C@H](C)CCC#N)c2)n1 602492369 QOXUXUHCIKWEDW-CYBMUJFWSA-N 282.391 3.841 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 602554428 CMSGTXNPVYVELB-WCXIOVBPSA-N 290.451 3.644 30 20 CHED CC(C)(C)CCn1cc(CC2(C#N)CCCCC2)nn1 603217478 KGJHIILZFRKNQA-UHFFFAOYSA-N 274.412 3.731 30 20 CHED CC(C)c1ccc(OC2CCN(CCC#N)CC2)cc1 603840849 CEAWUFNXVJJPEA-UHFFFAOYSA-N 272.392 3.567 30 20 CHED C=CCCSc1nnc(-c2ccccc2F)o1 606755740 GVUYJRCKGJSAEA-UHFFFAOYSA-N 250.298 3.544 30 20 CHED Cc1cc2occ(CC(=O)N[C@H](C#N)CC(C)C)c2cc1C 608821912 WQOUWSYADADJQT-HNNXBMFYSA-N 298.386 3.647 30 20 CHED C[C@H](CN(C)Cc1ccc(C#N)cc1F)c1ccccc1 608976623 CTXAJNXQWYJTAM-CQSZACIVSA-N 282.362 3.933 30 20 CHED N#Cc1csc(CNC2(c3ccc(F)cc3)CCC2)c1 610488698 VUGPHDXQDZTSEB-UHFFFAOYSA-N 286.375 3.928 30 20 CHED C[C@@H](NC(=O)C1CCC(C)(C)CC1)c1cccc(C#N)c1 610867793 IPJXBOILRWLHMH-CYBMUJFWSA-N 284.403 3.952 30 20 CHED N#Cc1ccc(CN2CCCc3sccc3C2)s1 611271140 MEYADTKFAQNGPF-UHFFFAOYSA-N 274.414 3.630 30 20 CHED CC(C)[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612095435 WFBMJRKUYNLJMS-AEFFLSMTSA-N 299.418 3.719 30 20 CHED C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@](C)(C#N)C1 612164460 AIVCZGDTAGRTFK-BLLLJJGKSA-N 275.396 3.659 30 20 CHED C[C@]1(C#N)CCCN(CCOc2ccc3ccccc3c2)C1 612167176 VJZDDACCNYIYLB-LJQANCHMSA-N 294.398 3.844 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@](C)(C#N)C1 612364876 QIIAYNLYHREZSW-IEBWSBKVSA-N 298.430 3.654 30 20 CHED CCc1c(N[C@H]2CCC[C@H](C#N)C2)cnn1CC(C)C 613255889 UEMXQJDGWMRYNL-KBPBESRZSA-N 274.412 3.596 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCCc2ccccc2)C1 618562203 ISDLKCSTIZUSLW-IAGOWNOFSA-N 256.393 3.681 30 20 CHED CC(C)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 618578782 YSXWLMXBPPOING-PBHICJAKSA-N 256.393 3.982 30 20 CHED C[C@@]1(C#N)CCCN(CCSC2CCCCC2)C1 619720333 CMMMWAZUOLKGPL-HNNXBMFYSA-N 266.454 3.678 30 20 CHED C[C@@H](N=c1ccc2cc(C#N)ccc2[nH]1)c1ccsc1 619745892 OCLOCVOXJIWMEX-LLVKDONJSA-N 279.368 3.763 30 20 CHED Cc1ccc(C)c(C(=O)NCc2ccc(C#N)c(Cl)c2)c1 619763797 RHQKXLWYVWXUFB-UHFFFAOYSA-N 298.773 3.759 30 20 CHED C=CCCC(C)(C)NC(=O)COc1ccc(F)cc1Cl 620864241 XIVGZYOAGXXIPK-UHFFFAOYSA-N 299.773 3.719 30 20 CHED C=CCN(CCc1ccccc1)Cc1cnc(C2CC2)o1 628155072 PJAXEMALLYNIJB-UHFFFAOYSA-N 282.387 3.783 30 20 CHED C=C[C@H](C(=O)O)N1CCC(c2cccc3ccccc23)CC1 652405265 WTEOJLQNLPLVHP-GOSISDBHSA-N 295.382 3.658 30 20 CHED C=CCC1(CNC(=O)C(C)(C)c2ccccn2)CCCC1 654083926 CXCDXSOFOQBNRB-UHFFFAOYSA-N 286.419 3.612 30 20 CHED C=C(CNCc1cc(COC)cs1)c1ccccc1 657334282 UCNPQMJXIBPIQV-UHFFFAOYSA-N 273.401 3.698 30 20 CHED C=CCCC(C)(C)NCc1cnc(C2CC2)s1 657804954 IGEZGPXTCZQPJQ-UHFFFAOYSA-N 250.411 3.855 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1ccnc(N2CCCC2)c1 657831919 GOOPCNGFAMUHLR-ROUUACIJSA-N 299.462 3.906 30 20 CHED C=CCCN[C@H](C)Cc1cccc(C(F)(F)F)c1 658115798 WHSXRQABKIHYEK-LLVKDONJSA-N 257.299 3.802 30 20 CHED C=CCCNC(=O)N1CCC[C@H]1c1cc(C)ccc1C 661570859 UACVFMUWPWYOPW-INIZCTEOSA-N 272.392 3.726 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C1CC1 665899599 ROVRVWGJVDJHPY-ZWKOTPCHSA-N 298.430 3.758 30 20 CHED C=CCCCCNC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C 681162582 DSTDCTMKHNJPDA-NEPJUHHUSA-N 292.345 3.715 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1csc(C(=O)O)c1 689079048 RSMWTCUAABFRTI-QWHCGFSZSA-N 279.405 3.671 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1cccnc1 726429120 JNPKSOVKHLNSMF-UHFFFAOYSA-N 277.274 3.519 30 20 CHED C=CCCC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 726652226 NJSVMZZBAJEGPD-UHFFFAOYSA-N 287.142 3.686 30 20 CHED COc1cccc2cc(C(C)=NNC3CCCC3)oc12 727651842 BUQBIQBZANFJEY-UHFFFAOYSA-N 272.348 3.698 30 20 CHED Cc1cc(F)ccc1C=NNc1cccc([N+](=O)[O-])c1C 727973304 GVLHXHGVAAXOSL-UHFFFAOYSA-N 287.294 3.797 30 20 CHED CCCCCCCCCC(=O)NC[C@H]1CCCN(C)C1 731024623 BTMCYAATBKRYHZ-MRXNPFEDSA-N 282.472 3.585 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)OCCCC#N 733601438 GQYVISUVMXTSPS-CQSZACIVSA-N 251.370 3.830 30 20 CHED C=CC[C@H](NC(=O)C1CCCCCC1)c1ccncc1 734457110 GIKKSRAARZKOQV-INIZCTEOSA-N 272.392 3.785 30 20 CHED CCc1nc(C)c(C(C)=NNc2ccccc2F)s1 735227743 YVJMRAXEXRCAKN-UHFFFAOYSA-N 277.368 3.989 30 20 CHED C=CCCCOC(=O)c1ccc(OCC2CC2)cc1 735533357 WGCFUVKIIHUXJW-UHFFFAOYSA-N 260.333 3.598 30 20 CHED CCn1ccnc1S[C@H](C)c1ccc(C#N)cc1 735618256 LJGMUVBWNVFSKJ-LLVKDONJSA-N 257.362 3.628 30 20 CHED C=C(Cl)CNC(=O)N(CC)[C@@H](CC)c1ccccc1 736398962 JYNSMNLZSKTKBB-AWEZNQCLSA-N 280.799 3.922 30 20 CHED Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)O[C@H](C)C#N 741747504 JAYFIJQEYJZQRF-YPMHNXCESA-N 274.364 3.520 30 20 CHED Oc1ccccc1/C=N\CCc1ccc(OC(F)F)cc1 743341254 WMJHYQLULIOSJZ-ODLFYWEKSA-N 291.297 3.655 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1ccc(Cl)nc1 743449967 DHZJBCWAVPBWGJ-UHFFFAOYSA-N 284.750 3.971 30 20 CHED C#CCCCNCc1c(-c2ccccc2)nc2sccn12 743814623 UETZFUUMVGKGBY-UHFFFAOYSA-N 295.411 3.566 30 20 CHED C=CCCCCCN(C)C[C@@H](O)c1ccc(C)cc1 743851213 ORRLKSHIOFYMBU-QGZVFWFLSA-N 261.409 3.707 30 20 CHED COc1cccc(O)c1/C=N\Cc1cccc2cccnc12 745012225 IBKPRSMDAKTDAY-UNOMPAQXSA-N 292.338 3.568 30 20 CHED COc1ccc(C(C)(C)C/N=C\c2ccccc2O)cc1 745626074 IHHHIBZJTKEYJH-UNOMPAQXSA-N 283.371 3.798 30 20 CHED N#Cc1cccc(C=NNc2ccc(Cl)c(F)c2)c1 747634920 CQXDKTGCBIVYMZ-UHFFFAOYSA-N 273.698 3.797 30 20 CHED Cc1cccc(C)c1COC(=O)c1ccc(C#N)s1 750394793 JQSDYKNGPYFVOP-UHFFFAOYSA-N 271.341 3.594 30 20 CHED COc1ccc(NN=C(C)Cc2ccsc2)cc1 750924801 MSSXEAJBTNNVBX-UHFFFAOYSA-N 260.362 3.787 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cccc([N+](=O)[O-])c1 750938668 LTCZCQVYAIMNSW-UHFFFAOYSA-N 287.294 3.878 30 20 CHED O=C(O)c1ccccc1NN=C[C@H]1CCCc2ccccc21 752162192 AJMUFTWTTMAMKT-CQSZACIVSA-N 294.354 3.903 30 20 CHED CCC(C)(C)CCOC(=O)c1cc(C#N)cs1 752195520 LFDGCMPAPVPTGO-UHFFFAOYSA-N 251.351 3.603 30 20 CHED C#CCC(C)(C)c1nc(-c2occc2C(C)C)no1 752901121 BTKAVIBHRBOZDX-UHFFFAOYSA-N 258.321 3.754 30 20 CHED C[C@H]1C[C@@H]1C=NNc1cc(C(F)(F)F)ccc1F 753948062 VZNHKIUQZUPCIS-JGVFFNPUSA-N 260.234 3.898 30 20 CHED C#CCCCN[C@@H](C)Cc1c(Cl)cccc1Cl 753967600 FXEMJUFDXINXFJ-NSHDSACASA-N 270.203 3.927 30 20 CHED Cc1cccc(C)c1C=NNc1cccc([N+](=O)[O-])c1 755480384 CDUXAUYSPCTKSE-UHFFFAOYSA-N 269.304 3.658 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)cc1 756259923 MBUQZNACFZRNHD-ONNFQVAWSA-N 295.313 3.992 30 20 CHED CC1=C(C(=O)OCc2ccccc2C(C)(C)C#N)CCCO1 756441155 FKTPCTKTZAZMIT-UHFFFAOYSA-N 299.370 3.615 30 20 CHED C#CC[C@@H](NCc1ccc(OCC)cc1O)c1ccccc1 756995414 HUIKZSHYLBXYQX-GOSISDBHSA-N 295.382 3.645 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ncccc1C(F)(F)F 758575432 DWDQCDAXMYVDGO-CYBMUJFWSA-N 287.281 3.746 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(C)o2)c1 759212480 GTMGVHSMPYEDBI-UHFFFAOYSA-N 262.284 3.572 30 20 CHED CCCc1cc(C(=O)Nc2ncc(C#N)s2)sc1C 759634286 PNVLOSTVYBYCGD-UHFFFAOYSA-N 291.401 3.590 30 20 CHED Cc1nc(C#N)c(NN=CCc2ccc(C(C)C)cc2)o1 760250980 RTPGUBSFUSAJHF-UHFFFAOYSA-N 282.347 3.619 30 20 CHED C=CCOc1ccc(CN(CCF)C(C)(C)C)cc1 761919995 JVUZKTGNSQLFPK-UHFFFAOYSA-N 265.372 3.821 30 20 CHED Cc1cc(OC(=O)[C@H]2CCCC2(C)C)ccc1C#N 765094686 QNTGSNAIXRQMMI-CQSZACIVSA-N 257.333 3.598 30 20 CHED CN(C)C(=S)NN=C1CCC(C2CCCCC2)CC1 766450189 FWGBAWXMKVNVSA-UHFFFAOYSA-N 281.469 3.549 30 20 CHED Cc1cc(C=NNCc2ccc(Cl)cc2)ccc1C#N 766453681 QPQCJPHTSYQLBU-UHFFFAOYSA-N 283.762 3.644 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(Cl)cc2cccnc12 767053378 IFZWBRHERUTHFN-UHFFFAOYSA-N 286.762 3.876 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccccc1Sc1ccccc1 767263761 ZVDURZJNESOTPO-AWEZNQCLSA-N 295.407 3.932 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc(Cl)cc2C)n1 767381349 VXENWHOFIIXPSY-UHFFFAOYSA-N 295.173 3.846 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccc(Cl)c(C#N)c2)C1 767526682 OUPZWBVFPUGYCX-SKDRFNHKSA-N 263.724 3.557 30 20 CHED C#C[C@H](CC)OC(=O)c1ccccc1-c1ccccc1C#N 768050709 VDMJCAAKCMXONF-OAHLLOKOSA-N 289.334 3.794 30 20 CHED C#CCN(C(=O)C[C@H]1CCC[C@@H]1C)C1CCCCC1 769435022 JTTZTFMZLXDJIQ-LSDHHAIUSA-N 261.409 3.607 30 20 CHED CCc1ccccc1NN=Cc1cn(C)nc1C(C)(C)C 769570342 MZYJJHIZEHFFTJ-UHFFFAOYSA-N 284.407 3.726 30 20 CHED Cc1ccc([C@@H](C)C(=O)Nc2ccc(C#N)cc2Cl)o1 769737208 LYSPXBIWHDSHSY-SNVBAGLBSA-N 288.734 3.855 30 20 CHED C/C(=C/C(=O)Nc1cccc(C#N)c1C)C(C)(C)C 770334541 SQUZFNAMXMFWDB-LUAWRHEFSA-N 256.349 3.798 30 20 CHED C#CCCCCc1nc(-c2cc(C)ccc2F)no1 771197516 PBGXUYZURYYBLA-UHFFFAOYSA-N 258.296 3.530 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])c(C)c1 772795863 FYENDAVUUJNMJW-YWEYNIOJSA-N 297.310 3.813 30 20 CHED O=C(/C=C\c1cc(F)c(F)cc1F)c1sccc1O 773142879 HGTHXZNYMRVTQO-UPHRSURJSA-N 284.258 3.767 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCCC1(C)C)c1cccc(C#N)c1 774044499 KZPOLJQDQUXACU-DOMZBBRYSA-N 271.360 3.989 30 20 CHED CCOCCON=Cc1ccc(Cl)c(C(F)(F)F)c1 774416750 GTUXCVJUUOMLBT-UHFFFAOYSA-N 295.688 3.746 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc[nH]1 775425314 XORLECKABONVQY-YVEFUNNKSA-N 265.360 3.615 30 20 CHED C#CCOc1ccc(NC(=O)N[C@H](C)CCCC=C)cc1 775998601 BHHZLRSYRUIVGS-CQSZACIVSA-N 286.375 3.565 30 20 CHED C#CCOc1cccc(NC(=O)N[C@H](C)CCCC=C)c1 776001166 LZCRKVUYPLRGPH-CQSZACIVSA-N 286.375 3.565 30 20 CHED N#C[C@H](OC(=O)c1ccc2[nH]ccc2c1)C1CCCCC1 776385370 DAYLZEDWHWOFJG-INIZCTEOSA-N 282.343 3.797 30 20 CHED Cc1ccc2oc(C(=O)O[C@H](C#N)C3CCCCC3)cc2n1 776385686 GTHCLVDQYUCHJX-MRXNPFEDSA-N 298.342 3.766 30 20 CHED CCNc1ccc(C#N)cc1NCc1nc(C)c(C)s1 776847589 KQBYGRXGSFXSTG-UHFFFAOYSA-N 286.404 3.676 30 20 CHED CCO[C@@H]1CC(=NOCCC(F)(F)F)C1(CC)CC 777461211 WLBRXIVYUVEMOQ-LLVKDONJSA-N 281.318 3.927 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)CCSC)c1ccccc1 777680181 IPZMJAGWJYJAQA-DZGCQCFKSA-N 277.433 3.604 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc([N+](=O)[O-])cc1F)C2=O 777915930 BNSAVFLMHYJWCU-NTUHNPAUSA-N 297.285 3.865 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)o1 777916442 ZXIGNNLVPPYQLH-GQCTYLIASA-N 275.235 3.531 30 20 CHED C=CCC[C@@H](C(=O)OCc1cc(C)n(C)n1)c1ccccc1 778550978 FFFNHHBADNTLBY-QGZVFWFLSA-N 298.386 3.522 30 20 CHED C#CCCCCCC(=O)N1CCCc2c(C)ccc(OC)c21 779906613 JAJBMLDWWAZLLW-UHFFFAOYSA-N 299.414 3.867 30 20 CHED C=CCOc1ccccc1CNC(=O)/C(C)=C(\C)CC 779931379 UYHQJISISSWATA-BUHFOSPRSA-N 273.376 3.614 30 20 CHED C#CC[C@H](NC(=O)/C(C)=C(/C)CC)c1ccccc1 780015819 XHASYIRVNGVCKG-FIPLFPIMSA-N 255.361 3.614 30 20 CHED C[C@H]1CCCC(=NNc2cc(Cl)ccn2)[C@H]1C 781124547 IWUZMXBVIBHUDR-UWVGGRQHSA-N 251.761 3.959 30 20 CHED C=CCN(C(=O)c1cc(C)c(C)cc1Cl)C(C)C 781134342 BXJPPYRPZONTHD-UHFFFAOYSA-N 265.784 3.993 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)O[C@@H](C#N)CC 781191559 BXPRCVSZCMSIJM-LLVKDONJSA-N 281.739 3.588 30 20 CHED C=CCCN(C[C@H]1CCCCO1)OCc1ccccc1 782670158 ZWGKAJVHHJKNRM-QGZVFWFLSA-N 275.392 3.565 30 20 CHED C=CCCCCCOC(=O)c1cccc(Cl)n1 783338556 ZEAGHJFGYRUZCZ-UHFFFAOYSA-N 253.729 3.638 30 20 CHED CC(C)CN(CCC#N)C[C@@H](C)c1ccc(F)cc1 783506093 BKJFSSLAAMFPHC-CQSZACIVSA-N 262.372 3.801 30 20 CHED Cc1ccc(F)cc1NC(=O)C=NOCCC(C)(C)C 783554397 AFMAWLRKVHKEEN-UHFFFAOYSA-N 280.343 3.511 30 20 CHED Cc1cc(COC(=O)[C@H](C)c2ccccc2F)ccc1C#N 783584228 SHTIYBGNTPNJBR-CYBMUJFWSA-N 297.329 3.853 30 20 CHED C#C[C@@H](CCC)/N=C/c1cc(Cl)cc(Cl)c1O 790098276 FYWKIWHUIMGIAC-AXLKIAQESA-N 270.159 3.920 30 20 CHED CCN(C)c1ccc(/C=C2\Cc3c(C)cccc3C2=O)cn1 790219115 GWARMXBFEDVSGJ-XNTDXEJSSA-N 292.382 3.669 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1nccn1C)CCCO2 790305942 REUIOWWVNPLLLB-UHFFFAOYSA-N 298.390 3.532 30 20 CHED N#Cc1csc(C(=O)O[C@H]2C=CCCCCC2)c1 793399921 VKCNHAQFHNVUOX-LBPRGKRZSA-N 261.346 3.665 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C=O)c(C)cc1C 793774696 AVAMIFDYDWSTNA-CQSZACIVSA-N 273.376 3.591 30 20 CHED C#CCN(Cc1oc(CCC)nc1C)C1CCCCC1 794302915 ASKFBMXYNGOGLY-UHFFFAOYSA-N 274.408 3.703 30 20 CHED O=C(/C=C/c1cscc1Cl)c1ccnc(F)c1 794717961 DNHPEEGWHCQWBQ-OWOJBTEDSA-N 267.712 3.832 30 20 CHED COc1cc(NN=C(C)c2ccnc(F)c2)ccc1Cl 794936789 SKMOSRBMISOADR-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C=CCOc1ccc(COC(=O)C(C)(C)CC=C)cc1 797087182 WBJSPDPLZFEUSK-UHFFFAOYSA-N 274.360 3.897 30 20 CHED CC(C)(C)c1ccc(COC(=O)c2ccc(C#N)cc2)cn1 797305946 XAUAOVIZLGGHLX-UHFFFAOYSA-N 294.354 3.608 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@H](C(C)(C)C)C2)c1 797610660 FHBGJWZBTLGKMH-HNNXBMFYSA-N 284.403 3.958 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1cc(C)ccc1F 798375538 KDNUMJACZVZRLH-LLVKDONJSA-N 266.385 3.775 30 20 CHED C=CC[C@H](CC)NS(=O)(=O)/C=C/c1cccc(Cl)c1 798467706 IJOMEAFJIZCXIT-HBWSCVEGSA-N 299.823 3.585 30 20 CHED C/C=C(\CC)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799446416 PCJYAUQELBNWHV-YCRREMRBSA-N 298.264 3.752 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1ccccc1SC 800013174 RQYYECVJAHHUCA-LBPRGKRZSA-N 262.374 3.816 30 20 CHED CC(C)Oc1cccc(CSCCO[C@H](C)C#N)c1 802749436 CLFLACUZTSQZKK-CYBMUJFWSA-N 279.405 3.636 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1nc2ccccc2o1 805695282 OWXGATWHYPSHDH-GFCCVEGCSA-N 286.331 3.906 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2sccc2Cl)c1 806559200 WLSSMZRWOMWENO-SNAWJCMRSA-N 292.743 3.996 30 20 CHED C=CCCCCCCNc1ccc2c(n1)CCC2=O 808072682 OWDMRPRBSSXXKK-UHFFFAOYSA-N 258.365 3.759 30 20 CHED CC(C)(C#N)c1ccc(-c2nc([C@]3(C)CCCO3)no2)cc1 809453428 XPWWUGZBYGZXFY-KRWDZBQOSA-N 297.358 3.563 30 20 CHED C#Cc1ccc(CNCCc2c[nH]c3c(C)cccc23)cc1 809622035 UVXQACPDGBMLKP-UHFFFAOYSA-N 288.394 3.790 30 20 CHED C=CCCCCOC(=O)c1cccnc1C(F)(F)F 811013500 XRCPQHIWQXHFIG-UHFFFAOYSA-N 273.254 3.614 30 20 CHED COc1ccc(F)cc1/C=C1/Cc2cc(C)ccc2C1=O 812241343 GTHODRBVJSQKMH-ZROIWOOFSA-N 282.314 3.965 30 20 CHED CCCCCC[C@H](CC)C(=O)N[C@](C)(C#N)CC 813081045 IHDDGGDOSJAMHT-ZFWWWQNUSA-N 252.402 3.791 30 20 CHED C=CCCCCCCCCNC(=O)c1ccc(Cl)nn1 813694708 BDGRSAXXKXQETA-UHFFFAOYSA-N 295.814 3.777 30 20 CHED CCC(=NOCC(F)F)c1ccccc1OC(F)F 814903810 BLXQZWBQAHINOR-UHFFFAOYSA-N 279.233 3.684 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1cnc(C)s1 814945751 OMSJCNFOBBABCU-UHFFFAOYSA-N 285.294 3.705 30 20 CHED C=CCC(C)(C)c1noc(-c2nc(Cl)cs2)n1 815706531 NJNSFQMKQCJUQQ-UHFFFAOYSA-N 269.757 3.700 30 20 CHED C[C@@H]1CC[C@@H](C)[C@@H](OC(=O)c2ccc(C#N)s2)C1 816224228 CGEGLVOHDGMKGQ-FOGDFJRCSA-N 263.362 3.601 30 20 CHED C#CCC1(C(=O)NCCC(C)(C)C2CC2)CCCCC1 819155204 DUANBNFEDDWJIU-UHFFFAOYSA-N 275.436 3.903 30 20 CHED C=CC(C)(C)CNCc1ccc([N+](=O)[O-])c(Cl)c1 824789880 IBNDMZCEKDAYQT-UHFFFAOYSA-N 268.744 3.550 30 20 CHED C[C@H]1CCN(C(=O)C#Cc2cccs2)[C@H](c2ccco2)C1 826700894 PICIEOOZYOMOCU-ZFWWWQNUSA-N 299.395 3.692 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1ccccn1 835059802 DHDXNXRTXHFPPT-BBWFWOEESA-N 290.366 3.842 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](CC)c1ccc(C)cc1 835112386 XTRYAHQACIWJHB-OAGGEKHMSA-N 274.360 3.580 30 20 CHED C=CC(C)(C)COC(=O)c1csc(C(C)(C)C)n1 835725841 IQBUGJXWPRRKSO-UHFFFAOYSA-N 267.394 3.810 30 20 CHED C=CCC1(NC(=O)C(F)(F)CC=C)CCCCC1 836956513 HVQDZBDEJBSGPH-UHFFFAOYSA-N 257.324 3.593 30 20 CHED O=C(C#CC1CC1)N(CCc1ccc(F)cc1)C1CCCC1 837376832 RKMVNWUFGLTAOX-UHFFFAOYSA-N 299.389 3.553 30 20 CHED C=CCONC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 838706681 UTFPLBOBZNBZHE-CQSZACIVSA-N 288.391 3.677 30 20 CHED C#CCC[C@H](C)OC(=O)CCc1cncc2ccccc12 839038081 BQVPZIQTUIJWTG-AWEZNQCLSA-N 281.355 3.513 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 839050558 BZEDMMLELGYZDK-FDZBUTDGSA-N 295.382 3.516 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCc2cc(Cl)cs2)C1 839057189 WXSDQWCQTBEFAU-CMPLNLGQSA-N 297.807 3.960 30 20 CHED CCCC[C@H](CC)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839059797 XNGQKONYJQZBII-MELADBBJSA-N 251.370 3.828 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc2c(c1)CCO2 839383502 KWNVLMUVPIFYFT-UHFFFAOYSA-N 266.344 3.766 30 20 CHED CCCCCCCC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1 840508313 QHJQBRAQKLAAAF-IAGOWNOFSA-N 289.419 3.681 30 20 CHED CCC[C@@H](C/N=C/c1c(O)ccc2ccccc12)OC 840705172 CETBBOWVOSBHCN-QCUKBLKESA-N 271.360 3.779 30 20 CHED CCO[C@H]1C[C@@H](/N=C/c2c(O)ccc3ccccc23)C1 840712566 ZPUJYOBDPGMYNP-NLTUMJQJSA-N 269.344 3.532 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)c1csnn1 840885747 HARXXUISQWXCLZ-NEPJUHHUSA-N 253.415 3.714 30 20 CHED C#CC[C@@H](OC(=O)[C@H]1CCSc2ccccc21)C1CC1 842316627 MMYDPTNOOWXEAJ-LSDHHAIUSA-N 286.396 3.611 30 20 CHED C#C[C@@H](OC(=O)CO[C@@H](C)CC)c1ccc(Cl)cc1F 842353879 RJZOUWYBHANESI-IINYFYTJSA-N 298.741 3.512 30 20 CHED C#C[C@H](OC(=O)[C@H](F)C(C)C)c1ccc(Cl)cc1F 842354577 XWHJVRXTSSXBCJ-QWHCGFSZSA-N 286.705 3.691 30 20 CHED CC(=NNCCC(F)(F)F)[C@H]1C[C@H]2C=C[C@H]1CC2 842531438 GKYAIEGNLIJUJF-SDDRHHMPSA-N 260.303 3.507 30 20 CHED C=CCCCC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 843664783 PXBPDDNILNPTIP-CQSZACIVSA-N 283.375 3.787 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1 845319959 JAEXMAAWSIAGTF-DLBZAZTESA-N 282.387 3.678 30 20 CHED C=CC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccncc1 846144235 KAZUDXYSVJALES-BBRMVZONSA-N 298.386 3.764 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)C2CCCCC2)cc1F 849243047 FFKCHGXBPINXQI-NTMALXAHSA-N 290.334 3.775 30 20 CHED Cc1cccc(-c2ccccc2CC2(C(=O)O)CC2)c1C#N 849476308 PXFRHHSXHKGLEE-UHFFFAOYSA-N 291.350 3.941 30 20 CHED N#CC[C@H](CC(=O)OC/C=C\C(F)(F)F)c1ccccc1 851290431 OFZAOOYJBBGTMF-IBSXUBTNSA-N 297.276 3.736 30 20 CHED C=C[C@@H](OC(=O)[C@@H]1CCCSC1)c1ccccc1 851451644 KGVSTMVKJZYRGN-ZIAGYGMSSA-N 262.374 3.600 30 20 CHED CSc1ccc(/C=C\C(=O)OC2(CC#N)CCC2)s1 860744988 IXJKBGXZCVGAHZ-HYXAFXHYSA-N 293.413 3.863 30 20 CHED CCOc1ccc(NN=C2CCCc3scnc32)cc1 863117416 SKUJLBPSKOJMNE-UHFFFAOYSA-N 287.388 3.694 30 20 CHED CC(=NNCCCOCc1ccccc1)c1occc1C 863178636 YZUXCPPLQGDZPO-UHFFFAOYSA-N 286.375 3.509 30 20 CHED CC(C)OC(=O)OCSc1ccc(C#N)cc1Cl 863314458 KYKSLTAVSHSIQE-UHFFFAOYSA-N 285.752 3.823 30 20 CHED N#C[C@H](SC1=Nc2ccccc2CS1)C1CC1 865348960 JFXWZKIUDDQQQN-LBPRGKRZSA-N 260.387 3.956 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](c2cccc(C)c2)C1 879456353 FYUYMGTYWQSGME-MRXNPFEDSA-N 271.404 3.913 30 20 CHED CCCN(CC(C)C)C(=O)Nc1cc(C#N)ccc1F 888355685 TYZAZZYFNTVKLC-UHFFFAOYSA-N 277.343 3.597 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)CC1 888824711 XPKXDBFXTQWGJK-MRXNPFEDSA-N 287.378 3.888 30 20 CHED C=CC(C)(C)CC(=O)[C@@H](C#N)c1nc2ccccc2o1 892553776 VGXTYPWDLXWKPF-LLVKDONJSA-N 268.316 3.606 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1cccc(F)c1F 901196870 UYVQAPMFTQEMGT-UHFFFAOYSA-N 292.333 3.805 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nc(O)cc(-c3ccccc3)n2)C1 901615806 IMLFNKRSJDWBIU-YPMHNXCESA-N 297.383 3.634 30 20 CHED C=CCC[C@H](NC1CCC(c2ccccc2)CC1)C(=O)O 901691698 BXKYOXLKQUVCLO-JCYILVPMSA-N 287.403 3.722 30 20 CHED CC(=NOCCCc1cncn1C)c1cc2ccccc2o1 902142914 KVWQSYUVOAGCAA-UHFFFAOYSA-N 297.358 3.540 30 20 CHED COc1ccc2c(c1)C(C)(C)C[C@@H]2NCC(C)(C)C#N 903101242 DHHLMDRYXMCDDH-HNNXBMFYSA-N 272.392 3.557 30 20 CHED C=C(C)COC(=O)c1ccc(OC2CCCC2)cc1 914812848 RLGLZCKECJJVNC-UHFFFAOYSA-N 260.333 3.741 30 20 CHED CO[C@@H]1CCCCC1=NNc1ncc(Cl)cc1Cl 915947057 ASUQUWMGHLHLMU-LLVKDONJSA-N 288.178 3.745 30 20 CHED Cc1c(Cl)cccc1NC(=S)NN=Cc1ccco1 916298215 BFSLBPVHSJOGRT-UHFFFAOYSA-N 293.779 3.562 30 20 CHED COc1cccc2cc(-c3nc4cc(C#N)ccc4[nH]3)oc12 916369034 DUSPCJIMZIJVLD-UHFFFAOYSA-N 289.294 3.856 30 20 CHED CCOc1ccccc1C=NNc1ncccc1Cl 917549174 JOPPOHUCBJXELP-UHFFFAOYSA-N 275.739 3.580 30 20 CHED Cc1ccccc1OCC/N=C/c1cc(Cl)ccc1O 917557958 JMWQNJZZYHFPLT-WOJGMQOQSA-N 289.762 3.852 30 20 CHED CCn1cc(C(=O)/C=C\c2ccccc2C(F)(F)F)cn1 920991959 UMGGBHGKQSZKCH-FPLPWBNLSA-N 294.276 3.818 30 20 CHED CC(C)Sc1ccccc1C(=O)N1CCC[C@H](C#N)C1 928227325 YKBVGGCWTWXYTJ-CYBMUJFWSA-N 288.416 3.563 30 20 CHED Cc1c(C#N)cccc1-c1nc(-c2cc(F)cc(F)c2)no1 1117544990 SZHNUFIFGOVGTC-UHFFFAOYSA-N 297.264 3.862 30 20 CHED C=CC[C@@H](NCc1ccc(C2CCC2)cc1)C(=O)OCC 1117722324 RVZHJTDANHLXSX-QGZVFWFLSA-N 287.403 3.552 30 20 CHED N#CC1(CC(=O)OCc2ccc(F)c(F)c2)CCCCC1 1118479987 YPCMTXVTNZCUFD-UHFFFAOYSA-N 293.313 3.872 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1CCO[C@H](C(C)C)C1 1120813704 LBLIWLUYKLYARK-BBWFWOEESA-N 293.451 3.785 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C(F)F)n1CC1CC1 1123419227 ZPMGMEHRWODQFY-LBPRGKRZSA-N 296.365 3.561 30 20 CHED CCCC1CCN(Cc2ccc(OCC#N)cc2)CC1 1137119628 ZXSFRDRSDQLHDV-UHFFFAOYSA-N 272.392 3.601 30 20 CHED Cc1ccc(S[C@H](C)c2ccc(C#N)cc2)nn1 1188830845 MWHXMOMXGZOZSO-LLVKDONJSA-N 255.346 3.510 30 20 CHED Cc1ccccc1Cc1nnc(-c2ccc(C#N)cc2)o1 1258376159 QHFUKQLUCOWPKX-UHFFFAOYSA-N 275.311 3.508 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ccc(OC)c(C#N)c1 1288070985 LINSXAQRKMUEHD-INIZCTEOSA-N 274.364 3.722 30 20 CHED Cc1cc(SCCc2cccnc2)ccc1C#N 1307360687 BGIJYJAQSJGYEL-UHFFFAOYSA-N 254.358 3.597 30 20 CHED CCC1CCC(N(C)Cc2ccc(C#N)cc2OC)CC1 1307514762 GDFAVCXDAHZACH-UHFFFAOYSA-N 286.419 3.967 30 20 CHED C#CCN(Cc1csc(Nc2ccccc2)n1)CC1CC1 1320134541 DJFFWIGZRPABPA-UHFFFAOYSA-N 297.427 3.732 30 20 CHED N#Cc1cccc(C#N)c1N1Cc2ccccc2C2(CCC2)C1 1324378716 MFTMZBLIQPMBKS-UHFFFAOYSA-N 299.377 3.872 30 20 CHED CC[C@@H](C)c1nnc(C[C@@H](CC#N)c2ccccc2)o1 1329096331 UQGQEDGMGJOSGI-TZMCWYRMSA-N 269.348 3.823 30 20 CHED CC(C)c1ccc2c(c1)CN(c1cccc(CC#N)n1)CC2 1330684483 GACNIXIMEDHFHG-UHFFFAOYSA-N 291.398 3.834 30 20 CHED CCN(C(=O)c1ccc(C#N)c(C)n1)c1ccc(Cl)cc1 1334806081 MNTDDMISRVEALB-UHFFFAOYSA-N 299.761 3.582 30 20 CHED C=C(C)CCC(=O)NCCCO[C@H](C)c1ccccc1 1335505011 PBWODICFTXLJLP-OAHLLOKOSA-N 275.392 3.627 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@H](c1ccccc1)C(C)C 1341059554 CFNVWCPDGNDXJO-SFHVURJKSA-N 283.415 3.688 30 20 CHED N#C[C@@H](OC(=O)c1ccc(Cl)c2occc12)C1CC1 1344124625 LNUCKJZBEYJTGU-GFCCVEGCSA-N 275.691 3.545 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F 1355240785 GTZOPEGFKXRTPD-ZFWWWQNUSA-N 289.350 3.957 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(CC#N)c1 1436284464 FNVBSJUPAFNBFT-ZDUSSCGKSA-N 296.345 3.709 30 20 CHED CC(C)(CN=c1cc[nH]c(C#N)c1)Cc1cccc(Cl)c1 1472731139 PXZAGFKNDMWKRS-UHFFFAOYSA-N 299.805 3.709 30 20 CHED C=C(CNC(=O)c1ccc2ccncc2c1)c1ccccc1 1527584773 BDLNQPHCLNBUAE-UHFFFAOYSA-N 288.350 3.678 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 1584674458 KSNRMMNRJGPFQW-KBPBESRZSA-N 298.292 3.579 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@]1(c2ccccc2)CC1(C)C 1586855645 QMSLCEGECWZUAL-IBGZPJMESA-N 298.430 3.800 30 20 CHED C=CC[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)O 1588750578 FYMXRNUZVZDGLW-PELKAZGASA-N 288.174 3.673 30 20 CHED C=CC[C@@H](Nc1ccc(-c2csc(C)n2)cc1)C(=O)O 1588751047 JXELIADQQDACIH-CYBMUJFWSA-N 288.372 3.560 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CC[C@@H](C(=O)O)C1 1595705362 XYDXHZSWDATIHN-JQPIKURYSA-N 295.423 3.616 30 20 CHED C=CCCCN[C@@](CC)(C(=O)O)c1ccc(Cl)cc1 1602875136 YOSXJHUPHVMBMQ-OAHLLOKOSA-N 281.783 3.586 30 20 CHED Cc1cc(C)cc(C2CCN(c3ccc(C#N)cn3)CC2)c1 1613030115 KZJMYTULKBCBSQ-UHFFFAOYSA-N 291.398 3.954 30 20 CHED N#Cc1cnnc(Nc2cccc(CCC(F)(F)F)c2)c1 1639631153 PLGNULDUEDIHQV-UHFFFAOYSA-N 292.264 3.587 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccc(Cl)c(F)c1 1646298186 AJKDOTVWZCBJIC-UHFFFAOYSA-N 286.737 3.913 30 20 CHED N#Cc1c(F)cccc1OCC1CCC(F)(F)CC1 1651882440 PPBCJSBUWDNSNM-UHFFFAOYSA-N 269.266 3.902 30 20 CHED C[C@@H]1CCC[C@H](CN2CCN(c3ccc(C#N)cc3)CC2)C1 1654541820 YXIPGJNBQUWKEG-AEFFLSMTSA-N 297.446 3.507 30 20 CHED CC[C@H](CC#N)NC/C=C/c1c(C)cc(C)cc1C 1657118791 OALYJDUSOQBZFN-FYCOFBDGSA-N 256.393 3.907 30 20 CHED C[C@@H]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1(C)C 1673773679 SCKMENQOOHWMIL-LLVKDONJSA-N 289.354 3.597 30 20 CHED Cc1cc2cccc(C=NNc3ccc(C(=O)O)cc3)c2o1 1776014088 FYBJRQHLYGBDPV-UHFFFAOYSA-N 294.310 3.885 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc3c(c2)CCCC3)c1 1776037217 KXLNDEPAEJBOSQ-UHFFFAOYSA-N 294.354 3.710 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)c2cccc(C#N)c2)c1 56000484 GEFADCSMGAMDJB-GOSISDBHSA-N 290.366 3.844 30 20 CHED C[C@@H](OC(=O)CCC(F)(F)F)c1ccc(C#N)cc1 175804128 MZZIFVJIZPRUHZ-SECBINFHSA-N 271.238 3.505 30 20 CHED C[C@H](NC(=O)c1cccc(SCC#N)c1)C1CCCC1 175947192 VNJJIPLDSDKFNF-LBPRGKRZSA-N 288.416 3.611 30 20 CHED C[C@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 170945988 HZFOWZDYKQGTNJ-GGZOMVNGSA-N 297.185 3.515 30 20 CHED Cc1cc(C)c(CNC(=O)C2(C#N)CCCCC2)c(C)c1 57386185 YQCYGAHBVCSAHM-UHFFFAOYSA-N 284.403 3.702 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc(C#N)s1 176407421 AWOAGEDHBSXQBZ-BQYQJAHWSA-N 299.399 3.910 30 20 CHED CC[C@H](CC#N)N[C@@H](C)c1ccccc1Br 54182903 WGUAFANTXOXDKW-WDEREUQCSA-N 281.197 3.792 30 20 CHED N#CC1(c2nc(Cc3ccccc3Cl)no2)CCCC1 177724433 IVPBSRNXXVEAJS-UHFFFAOYSA-N 287.750 3.649 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(F)cc2Cl)C1 116814499 KPWAKTRAPXKXRI-MEBBXXQBSA-N 294.757 3.681 30 20 CHED N#Cc1c(N2CCCC3(CCCCC3)C2)nc2ccccn12 302120208 XQPYVBHLFYOGLR-UHFFFAOYSA-N 294.402 3.757 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1cccs1 20126479 IJUOBMFJYVJWNH-NSHDSACASA-N 258.346 3.824 30 20 CHED CC(C)c1ccccc1OCCNCc1ccc(C#N)cc1 111407516 XZECPIUDDOONKX-UHFFFAOYSA-N 294.398 3.850 30 20 CHED CCCCCCCNc1ccccc1C[S@](C)=O 186082754 UNZAXILAGDIVMP-SFHVURJKSA-N 267.438 3.947 30 20 CHED C[C@H](OC(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1 175795902 FNLBCJUMCBGACM-WWGRRREGSA-N 287.359 3.510 30 20 CHED CC[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1F 414160090 CJPRVRAIKSYSGD-AWEZNQCLSA-N 266.335 3.945 30 20 CHED C[C@@H](Nc1ncccc1C#N)C(C)(C)c1ccccc1 301544375 DHSFLSRAGPUATP-CYBMUJFWSA-N 265.360 3.731 30 20 CHED CCS[C@@H]1CC[C@H](N(C)c2ccc(Cl)c(C#N)n2)C1 301608250 ZVRLIPZBNVANSI-WDEREUQCSA-N 295.839 3.717 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccncc1 69913842 AFNYOORZHWXTSZ-UHFFFAOYSA-N 273.380 3.682 30 20 CHED CC(C)(CCC#N)CNCCCOc1ccc(F)cc1 174323449 JJXRMJRUXKIISC-UHFFFAOYSA-N 278.371 3.514 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1 112774866 GETIMJLEERPINM-GJZGRUSLSA-N 298.292 3.579 30 20 CHED CC(C)(CC(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 176642916 XUZWBAZWOBSYFT-QGZVFWFLSA-N 298.430 3.943 30 20 CHED CC[C@](C)(C#N)NC(=O)CCc1ccc(-c2ccccc2)o1 127367766 NQCYUWXTGAIPMQ-GOSISDBHSA-N 296.370 3.688 30 20 CHED CCOc1cccc2cc([C@H](C)N[C@@H](C#N)CC)oc12 122199526 RAOWJPMJHXLKNK-WCQYABFASA-N 272.348 3.784 30 20 CHED N#Cc1ncccc1NCc1cc2ccccc2s1 357188838 PHACHKFLWMZASW-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CC(C)Cc1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1 122269123 XNTPQPKDRORCCJ-QGZVFWFLSA-N 272.392 3.553 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccc(C#N)cc1 301310355 ZITFXLGJWOANRU-RHSMWYFYSA-N 262.356 3.941 30 20 CHED C[C@H](Nc1cc(Cl)ccc1C#N)c1ccccn1 36954324 YLVNXRDPQMTDGK-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=C(Br)CN[C@H](C)c1cc(C)ccc1OC 125076662 MGTDJWXUODJKFN-LLVKDONJSA-N 284.197 3.563 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc(F)c(F)c1 182553154 ZUHAKKWEPWSCGW-NSHDSACASA-N 288.297 3.868 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)N[C@H](C#N)CC 123499714 IYCIDUHNBOPNRW-CABCVRRESA-N 264.413 3.791 30 20 CHED COc1ccccc1[C@H](C)CC(=O)Oc1ccc(C#N)cc1 75460158 PVEMJUSDXLLBTO-CYBMUJFWSA-N 295.338 3.666 30 20 CHED C=C[C@H](CC(=O)NC[C@@H](CC(C)C)OC)c1ccccc1 416062179 NXFCCAIUGUXTLU-NVXWUHKLSA-N 289.419 3.524 30 20 CHED CC#CCCCC(=O)N[C@@H](C)CSc1ccc(C)cc1 187604897 GULKBQVUVFBAIL-HNNXBMFYSA-N 289.444 3.785 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1nc(C)c(C)s1 181040040 BRQIHJJSWFLPDH-SECBINFHSA-N 267.398 3.626 30 20 CHED C=C(C)COc1cccc(NCc2cccc(O)c2)c1 129279989 UQLJTDPTRCXPFM-UHFFFAOYSA-N 269.344 3.959 30 20 CHED C=CCCC(=O)NC(c1cccs1)c1cccs1 78189117 KLGMMMICUWXQRH-UHFFFAOYSA-N 277.414 3.981 30 20 CHED CCC(C)(C)c1ccc(CN(C)C[C@@H](C)C#N)cc1 509870188 ZBUDDWAIMKNIDU-AWEZNQCLSA-N 258.409 3.966 30 20 CHED CC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCCO1 313485762 ATEDGTUOUIXMFI-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED C=C[C@H](CCC(=O)O)NCc1cc(Cl)ccc1Cl 417634907 ZGAYPYSTYFYWHQ-LLVKDONJSA-N 288.174 3.502 30 20 CHED N#CC1(C(=O)N2CCC(c3ccsc3)CC2)CCCC1 188000377 VKKOMTPSAFGLLH-UHFFFAOYSA-N 288.416 3.538 30 20 CHED C=CCCCC(=O)Nc1ccc(OCC)cc1F 412916199 VZVVVJHHYXBDDC-UHFFFAOYSA-N 251.301 3.519 30 20 CHED C#CCSCCN[C@@H](C)c1sc(C(C)C)nc1C 181097034 FCBOXEDOZJQEDQ-NSHDSACASA-N 282.478 3.592 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@H]2CCC[C@H]2C)s1 186657907 GGFXTAUVXRDJHK-GHMZBOCLSA-N 276.405 3.947 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(N3CCCCC3)cn2)C1 185790821 ZRUADICHYVMEBN-GJZGRUSLSA-N 284.407 3.566 30 20 CHED C=C(C)CN(C)Cc1cc(Cl)c(OC)c(OCC)c1 181048718 OJBRCQVJSYZZBU-UHFFFAOYSA-N 283.799 3.755 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc(-c2ccc(C)cc2)o1 417628354 QWAKWYIHZZIVNK-OAHLLOKOSA-N 299.370 3.764 30 20 CHED C=CCN1CCC(N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 189169222 CVNXEMQTTUQYOY-ICSRJNTNSA-N 298.474 3.638 30 20 CHED C=C[C@H](CO)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 414123250 BQHIHMFKWFBEBA-FVQBIDKESA-N 279.811 3.503 30 20 CHED C[C@H]1C[C@H](C(=O)N2CCc3cc(C#N)ccc32)CC[C@H]1C 416014929 PYKYSTLIIOYJFW-DVOMOZLQSA-N 282.387 3.520 30 20 CHED C[C@H](O)CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 411510864 ZTBYOWPMARLTFA-GJZGRUSLSA-N 294.398 3.647 30 20 CHED Cc1ccc(-c2cccc(CNC[C@H](C)C#N)c2)cc1 183839832 XHOLKEKVQLWFCX-OAHLLOKOSA-N 264.372 3.911 30 20 CHED C=C(C)[C@@H](NC(=O)CCCOCC)c1ccc(F)c(F)c1 186045263 DVNPDEPRBZQZFO-MRXNPFEDSA-N 297.345 3.515 30 20 CHED CC(C)c1nccn1Cc1ccccc1C(C)(C)C#N 182824492 KUYVQGWYLFUCKY-UHFFFAOYSA-N 267.376 3.856 30 20 CHED N#Cc1ccc(CNC2CCC(c3ccccc3)CC2)o1 135139938 RZKOBKKZPZESEW-UHFFFAOYSA-N 280.371 3.967 30 20 CHED C[C@H](OC(=O)Cc1ccc2ccccc2c1)C(C)(C)C#N 130642131 CGKBDUBJFOFRJG-ZDUSSCGKSA-N 281.355 3.864 30 20 CHED C=C(CN[C@@H](C)c1nc(C)cs1)c1ccccc1 134366458 JNUHBDRUAYTGBR-ZDUSSCGKSA-N 258.390 3.816 30 20 CHED C[C@@H]1C[C@H](Nc2c(Cl)cccc2C#N)CS1 413519481 OMRYMKVVNFYHST-SCZZXKLOSA-N 252.770 3.518 30 20 CHED Cc1cc(C(=O)N(C)c2ccccc2C#N)c(C)s1 610796191 WBIFIGYFXCWPHA-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1CC12CCCCC2 329120925 QFGAGSIPWQGJCT-GFCCVEGCSA-N 262.353 3.573 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2(CCCC2)C1 413832930 JMAMFSCPQIZFSF-QGZVFWFLSA-N 298.430 3.759 30 20 CHED CSC[C@H]1CCCN1CCC1(C#N)CCCCC1 411324181 KOFIBHSYJMAXRX-CQSZACIVSA-N 266.454 3.678 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1ccc(C#N)[nH]1)C(C)(C)C 501862661 MUSGJAZOHVIRMH-INIZCTEOSA-N 295.386 3.712 30 20 CHED N#C[C@@H](C(=O)CCc1ccsc1)c1nc2ccccc2o1 41544437 AXEGCGJJKCMRCV-LBPRGKRZSA-N 296.351 3.698 30 20 CHED CN(C)c1cccc([C@H]2CCCN2CCC(C)(C)C#N)c1 131722057 KSYSGTXRPXYXHV-QGZVFWFLSA-N 285.435 3.829 30 20 CHED Cc1cc(C2CC2)nc(N=C(O)[C@@H]2CC[C@@H](C)C2)n1 329782970 UUNPJFSVGMDALO-BXKDBHETSA-N 259.353 3.687 30 20 CHED CCC1(C(O)=Nc2scnc2C2CC2)CCOCC1 329430660 KDKLHFLGKHIALA-UHFFFAOYSA-N 280.393 3.815 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(F)cc1OC(F)F 130838478 XDEAQLRXPONOON-VIFPVBQESA-N 259.271 3.654 30 20 CHED CO[C@@H](CC(C)C)CN(C)[C@@H](C)c1cccc(C#N)c1 425543454 ZMKPIHOSWQJXOJ-YOEHRIQHSA-N 274.408 3.612 30 20 CHED CCCc1cnc(N=C(O)[C@@H]2CCc3cccnc32)s1 329180450 DKYKOUXZTWVFFK-GFCCVEGCSA-N 287.388 3.809 30 20 CHED C=CCCN(C)C/C(C)=C\c1ccccc1COC 513102351 YGEHXPNIJVRZQN-QINSGFPZSA-N 259.393 3.744 30 20 CHED C=CCC[C@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 320600583 FDNQOJAGUHIJHQ-OAHLLOKOSA-N 289.350 3.502 30 20 CHED N#Cc1cc(F)c(N2CCc3ccc(F)cc3C2)c(F)c1 135553786 VXFFADIKGWVOMF-UHFFFAOYSA-N 288.272 3.538 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccsc1 194615639 ZVMKVTKVGXSTMR-SNAWJCMRSA-N 259.286 3.552 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCc1ccc(OC)cc1 191131919 HNEWGHYUEIFNIF-KDOFPFPSSA-N 289.419 3.735 30 20 CHED C[C@@H](NC[C@@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 192907064 TTXLIKHOZHWUPB-BEFAXECRSA-N 293.414 3.512 30 20 CHED C[C@@H](NC(=O)N(C)C1CCCCC1)c1ccc(C#N)cc1 47053120 FZEFHOJLHCDVCF-CYBMUJFWSA-N 285.391 3.593 30 20 CHED C[C@@H]1c2cccn2CCN1CC#Cc1ccc(Cl)cc1 426366448 QTAKJRYSBQOKRT-CQSZACIVSA-N 284.790 3.570 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)c1ccccc1 425126239 HOLXAPUNDZYRMZ-CABCVRRESA-N 292.382 3.881 30 20 CHED C#CCCCC(=O)N(C)Cc1csc2ccccc12 191937442 QDFSWZSXLNEOSU-UHFFFAOYSA-N 271.385 3.663 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(Oc2ccncc2)c1 337083589 BREPDNGKTWLGPZ-HNNXBMFYSA-N 296.370 3.958 30 20 CHED C[C@H]1CCCC[C@H]1N(C)CCCC1(C#N)CCOCC1 337206819 NGRCUBWWSPKGBJ-JKSUJKDBSA-N 278.440 3.597 30 20 CHED C[C@H](O)[C@@H](C)Sc1c(C#N)cnc2c(Cl)cccc12 335479991 ATSGKEHAFPRSJV-DTWKUNHWSA-N 292.791 3.621 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(C(F)F)c1Cl 334692644 WSDORBWSOULBGB-FUXBKTLASA-N 284.693 3.766 30 20 CHED C=C(C)CNC(=O)c1ccccc1N(C)c1ccccc1 428112453 LRZRCSMDZYEHOM-UHFFFAOYSA-N 280.371 3.760 30 20 CHED N#Cc1ccc(C[S@](=O)c2cc(Cl)ccc2F)cc1 334472188 KFAPCLRQMSALNU-IBGZPJMESA-N 293.750 3.659 30 20 CHED CC(C)(C)c1cc(NC(=O)[C@@H]2CCCS2)c(C#N)s1 91208386 OBEMDNIQBOVWSN-JTQLQIEISA-N 294.445 3.751 30 20 CHED CC(C)c1ncc(C(=O)Nc2ccccc2CC#N)s1 339175528 SRZPJASMTUTLDV-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccsc2Cl)no1)OCC 420504718 RZWGBQDUGLGSSW-SNVBAGLBSA-N 298.795 3.975 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(C)c2ccccc2C#N)C1 337834975 CSPTVVXSNUIPPW-UONOGXRCSA-N 270.376 3.737 30 20 CHED Cc1ccc(C[C@@H](C)NCc2cccc(C#N)c2)c(C)c1 237512521 NLDRRGZJQQUQOE-MRXNPFEDSA-N 278.399 3.896 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)C1CC1)c1ccc(Cl)c(Cl)c1 331832489 JRGZSWGAJVHKIK-SDBXPKJASA-N 297.185 3.515 30 20 CHED CCO[C@@H](C)c1ncc(/C(O)=N/C(C)(C)CC)s1 330901754 BDKTVEFHSIBYJC-VIFPVBQESA-N 270.398 3.734 30 20 CHED Cc1cccc(/C(O)=N/[C@](C)(C#N)CC(C)C)c1C 330484056 WKXVNDLWGAIJJF-INIZCTEOSA-N 258.365 3.936 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1 96399826 GSYZBGLCWYTFPM-WTKPLQERSA-N 274.266 3.870 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 331036010 MVJXYCJBILVITH-CJNGLKHVSA-N 284.403 3.796 30 20 CHED N#Cc1cc(Oc2cc(C(F)(F)F)ccc2Cl)ncn1 335682962 NQLNWHGBLKLTFV-UHFFFAOYSA-N 299.639 3.813 30 20 CHED CCCN(CC#N)Cc1c(OC)ccc2ccccc12 92398063 YWVYXIUBMOACQU-UHFFFAOYSA-N 268.360 3.584 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C2CC2)c(C)c1 341942352 BNFDTCYWTOMVAY-UHFFFAOYSA-N 258.365 3.912 30 20 CHED C=CCSCc1ccc2oc(C(=O)OC)cc2c1 349062246 ZWSHAZOWVABKCP-UHFFFAOYSA-N 262.330 3.639 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1occ2c1CCC2 349471636 CXXXNPUFJLLXBI-UHFFFAOYSA-N 287.384 3.658 30 20 CHED C[C@@H](Sc1ccccc1)C(=O)NCC(C)(C)CCC#N 345907194 MWOKEQUQTFIKJX-CYBMUJFWSA-N 290.432 3.613 30 20 CHED Cc1cc(C#N)ccc1OCCCOCc1ccccc1 544694577 KHIQZCYCGTYNMN-UHFFFAOYSA-N 281.355 3.852 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C)c(Cl)c1F 344337369 OJMNIWVXRPOGHT-UHFFFAOYSA-N 267.731 3.602 30 20 CHED N#CCCCOc1cccc(CNc2cncc(F)c2)c1 341418822 GSAXNPNWRDNPAT-UHFFFAOYSA-N 285.322 3.515 30 20 CHED CC(C)CCN(CCC#N)C(=O)CCCc1ccccc1 349434940 VJAWCMXLJSXTEN-UHFFFAOYSA-N 286.419 3.798 30 20 CHED N#CCC[C@H](N=c1cc[nH]c2ccncc12)c1ccccc1 439105840 GJTTUFAYPOCZJD-INIZCTEOSA-N 288.354 3.509 30 20 CHED C=CCCCN1CCC(Oc2ccc(OC)cc2)CC1 605149971 ZIZYEGMGMVRVFK-UHFFFAOYSA-N 275.392 3.505 30 20 CHED CCn1nccc1/C=C\C(=O)c1cccc(C(F)(F)F)c1 255311465 NQMLMXYHUUWKPZ-SREVYHEPSA-N 294.276 3.818 30 20 CHED CCc1ccc(CC(=O)Nc2ccc(Cl)c(C#N)c2)cc1 525534950 YWMCBYFACJAULI-UHFFFAOYSA-N 298.773 3.955 30 20 CHED CC1(C)CCC/C(=C\c2ccccc2[N+](=O)[O-])C1=O 255564503 LRWFUGPNZBNAGO-ZRDIBKRKSA-N 259.305 3.757 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2ccc(F)c(C#N)c2)cc1 340902197 GSGDHPPMXUGWFK-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED CC(C)Cc1ccc([C@H](C)NC(=O)[C@]2(C#N)C[C@@H]2C)cc1 448572829 KRSHUYBLKMZECO-DEYYWGMASA-N 284.403 3.612 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)/C=C\c2nc3ccccc3s2)C1 255873236 XTFMOEJLDDHSGN-WZIXFXTNSA-N 298.367 3.545 30 20 CHED CO[C@@H](CSCCCC#N)c1ccc(F)cc1 600635495 LTSGANWDRSFFOD-ZDUSSCGKSA-N 253.342 3.550 30 20 CHED CC(C)(C)OCc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 442774956 DQVZIVPZIKEINY-PBHICJAKSA-N 286.419 3.784 30 20 CHED Cc1ccccc1CSc1ccc(C#N)c(C)n1 385913236 IJAPNMNCLWBWBK-UHFFFAOYSA-N 254.358 3.862 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CC[C@H](c3cccc(F)c3)C2)C1 442869746 FFLBNEUMYIPQTR-QCPWZWHMSA-N 272.367 3.744 30 20 CHED COc1ccc(CN(C)Cc2cc(C)ccc2F)cc1C#N 444740452 WBMQCWWLSAYFPY-UHFFFAOYSA-N 298.361 3.646 30 20 CHED CCN(CC1CCC1)C(=O)C[C@H](CC#N)c1ccccc1 358146159 AOQODXBQFHKDIY-KRWDZBQOSA-N 284.403 3.723 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1C(=O)c1cccs1 351545021 ZFCRKAJAZCKCOT-UHFFFAOYSA-N 299.395 3.627 30 20 CHED CCCCN(C(=O)CCCCCC#N)c1ccccn1 602405318 SZMJULAZCSMJQH-UHFFFAOYSA-N 273.380 3.689 30 20 CHED C[C@@H](CCC#N)CN(CCc1ccc(F)cc1)C1CC1 602468083 JEQAUEXAOIXBOA-AWEZNQCLSA-N 274.383 3.772 30 20 CHED CCCCS[C@@H](C)C(=O)N(C)c1ccc(C#N)cc1F 609216407 JAUHPXNGFOVVTO-NSHDSACASA-N 294.395 3.582 30 20 CHED C[C@H](CCC#N)N1CCC[C@H]1c1cccc(N(C)C)c1 351470726 FMKIVZLBZIWPPW-PBHICJAKSA-N 271.408 3.582 30 20 CHED C=CCCCC[C@@H](C)N[C@H](c1nccn1C)C1CC1 449323342 ULTXXOKUZQYXAI-HIFRSBDPSA-N 261.413 3.596 30 20 CHED C=C(C)[C@@H](CC(=O)NCc1c(C)cc(C)cc1C)OCC 535139883 AWAWWWRIRXURJD-QGZVFWFLSA-N 289.419 3.599 30 20 CHED CC(C)=CCCNC(=O)Nc1cc(C#N)cn1C(C)(C)C 359082398 WUXUGBLVBTYXMD-UHFFFAOYSA-N 288.395 3.593 30 20 CHED Cc1cc(Cl)ccc1OCCCN[C@@H]1CC[C@@H](C#N)C1 442789243 YHOSOQLPHOXZCD-UKRRQHHQSA-N 292.810 3.699 30 20 CHED C=CCC1(C(=O)Nc2cnn(CC(F)F)c2)CCCCC1 449882233 HZDMHOKSBXEAEN-UHFFFAOYSA-N 297.349 3.613 30 20 CHED CC[C@@H](F)CSCc1ccc(OC)c(C#N)c1 442560996 YRDJDQDUONXZII-GFCCVEGCSA-N 253.342 3.548 30 20 CHED CC(C)Oc1ccc(NC2CCC(C)(C#N)CC2)cn1 449203133 GUYFUKUGOQIPNN-UHFFFAOYSA-N 273.380 3.753 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1SC 617252269 OTCUUTWSVSOUSO-JTQLQIEISA-N 299.823 3.982 30 20 CHED COc1ccc2c(c1)C[C@@H](C)N(CCCCC#N)[C@H]2C 359537482 LFXSRIZIKXUHJR-KGLIPLIRSA-N 272.392 3.697 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CC1CCC(C)CC1 355655859 MGUDQEQFUUCYDI-UHFFFAOYSA-N 285.391 3.755 30 20 CHED C[C@@H](CC#N)N(C)CCn1ccc2cc(Cl)ccc21 351542973 ZTSNRFXIRDJRDO-LBPRGKRZSA-N 275.783 3.529 30 20 CHED Cc1ccc2oc(-c3noc(-c4cc(C#N)c[nH]4)n3)cc2c1 445755626 BCBSOAGOVBOQJG-UHFFFAOYSA-N 290.282 3.658 30 20 CHED C=CC(C)(C)CN[C@@H](C)CC(=O)Nc1ccccc1C 449485881 OUYAFLDUIXGWTQ-AWEZNQCLSA-N 274.408 3.514 30 20 CHED C#CCN(CC)C(=O)Nc1cc(C(F)(F)F)ccc1C 267315891 NNSPEQWDXKBWRQ-UHFFFAOYSA-N 284.281 3.501 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc2[nH]ccc2cc1C)OCC 444449008 LNAQIDYHDFAVNO-MRXNPFEDSA-N 286.375 3.786 30 20 CHED CC[C@H](CC#N)NCc1csc(-c2ccccc2)n1 358276762 KEDFBADYTUBUOH-CYBMUJFWSA-N 271.389 3.592 30 20 CHED CC[C@H](C)CCCCC(=O)N(CCC#N)CC(F)(F)F 612045807 AHPFIMLJMFYMMB-LBPRGKRZSA-N 292.345 3.897 30 20 CHED CCC(CC)N(CCC(=O)Nc1cccc(C#N)c1)C1CC1 610389981 FOTACCRUDDCUGW-UHFFFAOYSA-N 299.418 3.540 30 20 CHED C=C(CC)CSc1n[nH]c(/C=C/c2ccc(C)o2)n1 538011182 GXXCERKGDFNZKL-BQYQJAHWSA-N 275.377 3.935 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2cccc(Cl)c2)no1 264685070 QSZNUFSEGIQOPB-NSHDSACASA-N 292.766 3.968 30 20 CHED CCC[C@H]1C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 455698778 GKWSUUZHBQZHCX-FZMZJTMJSA-N 291.782 3.716 30 20 CHED Cc1ccc(C[C@H](C)Nc2cnccc2C#N)c(C)c1 538760708 GPVIZESMWZEZNT-AWEZNQCLSA-N 265.360 3.613 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 452728761 DRLRQSLBPQPZIG-QWHCGFSZSA-N 263.768 3.526 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCCCS1 612416813 XTELSMOMEGLARG-NVXWUHKLSA-N 286.444 3.811 30 20 CHED N#CC1(c2ccccn2)CCN(CCCC2CCCC2)CC1 367064212 BZCKCGLSHVWQLD-UHFFFAOYSA-N 297.446 3.909 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC)c(OC(C)C)c1 455128740 AMWROJZAZXXRKT-UHFFFAOYSA-N 292.379 3.570 30 20 CHED CCS[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)C(C)C 610362979 IBYSJCGBSQZWBW-IUODEOHRSA-N 290.432 3.513 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1CCC(C)(C)C#N 271949050 AQNLLRYHOVVTFV-GDBMZVCRSA-N 256.393 3.804 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc(CC#N)c2)CCCC1(C)C 278334339 IQJQFPNDAVBJRD-QGZVFWFLSA-N 296.414 3.960 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(OC(F)F)cc1 452774149 CUKAQHXHAKACKO-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(Cl)c(C#N)c2)C1 542512876 MGZDPSBPKPVLLB-FZMZJTMJSA-N 290.794 3.862 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CCC)C1CCC1 453204581 BZDOVEAUKVKPRT-OAGGEKHMSA-N 251.414 3.526 30 20 CHED CO[C@@H]1CCCC[C@@H]1N[C@H]1CCCCc2cc(C#N)ccc21 360656519 IJOPIKHKBADNCZ-GBESFXJTSA-N 298.430 3.873 30 20 CHED C=CCC1(CNC(=O)N[C@@H](C)CC(F)(F)F)CCCC1 454807587 WWGKFGIBQOEDRX-NSHDSACASA-N 292.345 3.763 30 20 CHED CC#CCN(C)C(=O)N[C@H](C)c1cccc2ccccc12 457479042 CJEPUUNRPKJAKV-CQSZACIVSA-N 280.371 3.566 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C 456317776 FNIJBWKZQZZKRV-IIAWOOMASA-N 251.414 3.728 30 20 CHED C=CC(C)(C)CNC(=O)N1CCCC2(CCCC2)C1 458985100 HMFUURMNDKUFQK-UHFFFAOYSA-N 264.413 3.564 30 20 CHED C=C(CC)CNC(=O)c1c(F)cc(C(F)(F)F)cc1F 456814896 WLKJFHVHOUPOFZ-UHFFFAOYSA-N 293.235 3.680 30 20 CHED CC[C@@H](NCC(C)(C)CCOC)c1ccc(C#N)cc1 278833076 UFNJWAPUABOCOF-MRXNPFEDSA-N 274.408 3.662 30 20 CHED C=CCCNC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 622918826 ILIKDZDSUQNRKB-UHFFFAOYSA-N 293.235 3.647 30 20 CHED Cc1ccc(-c2nnc(SCC3(C#N)CCC3)n2C)cc1 450609985 FSNSEEABIYOVND-UHFFFAOYSA-N 298.415 3.577 30 20 CHED CC(C)(CC#N)CNC(=O)CCc1ccc2ccccc2c1 457989433 NFFPCEHLYJMAPL-UHFFFAOYSA-N 294.398 3.828 30 20 CHED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)CCC 362979492 HBBFGQDQWWXKIQ-AWEZNQCLSA-N 295.386 3.558 30 20 CHED C=CCCC1(c2nc([C@@H](CCC)OC)no2)CC1 453222910 OLUSQQHINJZSNE-LLVKDONJSA-N 250.342 3.555 30 20 CHED C=C(CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)c1ccccc1 627285069 RHTAEHQREFJYAA-RBUKOAKNSA-N 291.394 3.928 30 20 CHED C=CCC[C@@H](CC)N[C@H](c1ccccc1)c1cnn(C)c1 366673817 FDNFPDWMCGNBOQ-QZTJIDSGSA-N 283.419 3.844 30 20 CHED C=CCN(C(=O)c1nc(C(C)C)oc1C)C(C)(C)C 622945791 STOIBZXUOVOXGN-UHFFFAOYSA-N 264.369 3.533 30 20 CHED CCOCc1ccc(-c2noc(C3(C#N)CCCC3)n2)cc1 273814392 WFQBIIKQOLIXGN-UHFFFAOYSA-N 297.358 3.608 30 20 CHED C=CCCN(C)C(=O)Nc1c(F)cc(Cl)cc1F 276016015 BPKJDTAGUPYXNS-UHFFFAOYSA-N 274.698 3.658 30 20 CHED C[C@H](CCC1CC1)NC(=O)c1ccc(C#N)c(Cl)c1 548288244 WUSHGWKXMMGSNE-SNVBAGLBSA-N 276.767 3.520 30 20 CHED C=CCC[C@H](C)NCCCOc1cccc2cccnc12 541743747 NQBDPIHMVLUJBK-HNNXBMFYSA-N 284.403 3.948 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cc(C)ccc2F)no1 278306562 XWBWXETUJKQFRX-NSHDSACASA-N 276.311 3.838 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](c1cnn(C)c1)C(F)(F)F 628274050 NHTSHKYQPMFDHP-OLZOCXBDSA-N 289.345 3.748 30 20 CHED C#CCCCCC(=O)N1CCCC[C@H]1Cc1ccccc1 271346341 DRWINECZUGUVAV-SFHVURJKSA-N 283.415 3.804 30 20 CHED Cc1ccccc1OCc1noc(C2(C#N)CCCCC2)n1 273871098 QEQROTUBBDSVFS-UHFFFAOYSA-N 297.358 3.683 30 20 CHED CC1(C)CC(CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1 548691259 COKNQFRLXHRLIM-INIZCTEOSA-N 299.418 3.767 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@H](C#N)c2ccccc2Cl)C1 541959986 GURAUGFGHPXOIS-SMDDNHRTSA-N 290.794 3.847 30 20 CHED C=C(CC)CN[C@@H](Cc1ccccc1OC)C(C)C 542565312 FNVNYZKNLHGRFW-INIZCTEOSA-N 261.409 3.818 30 20 CHED Cc1c(Cl)cnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1C#N 543205606 BHAHQXKZDPDECW-NVBFEUDRSA-N 289.810 3.930 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCc2cc(C)ccc21 467325964 KQSNDDZAMHBRHF-QGZVFWFLSA-N 269.388 3.867 30 20 CHED C=CCSCCN[C@H](c1ccc(OC)cc1)C(C)C 543755140 ZNDRBVLFQVWZHM-INIZCTEOSA-N 279.449 3.901 30 20 CHED N#Cc1cccc(NC(=O)NC[C@H]2CCCC(F)(F)C2)c1 282880721 PSYZOILKYZFCKQ-LBPRGKRZSA-N 293.317 3.505 30 20 CHED CCC[C@@H](C)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 280328834 PWVHQMRYNNMASW-CYBMUJFWSA-N 272.392 3.748 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1cccc2[nH]ccc12 466389668 ADVUDOMBGUFNKR-CQSZACIVSA-N 285.391 3.664 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 465122966 XOZUCECQZQQVPH-KGLIPLIRSA-N 275.392 3.576 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ccncc2)C1 289036648 BEYUGJKTJNLSPX-HNAYVOBHSA-N 291.398 3.894 30 20 CHED C=CCC[C@H](NCCCc1cccc(C)n1)C1CC1 287536737 PCYVHTZWIXSHOP-KRWDZBQOSA-N 258.409 3.657 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cscc1Cl 636438347 VQASJSXGISOXKX-GFCCVEGCSA-N 273.785 3.569 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCc2ccc(C#N)cc21 558503777 CFMFZGKENOTLSV-ZMYBRWDISA-N 298.430 3.730 30 20 CHED Cc1cccc(CCCN[C@H](C)c2cccc(C#N)c2)n1 285178006 RDYNHJGFJYYBCZ-OAHLLOKOSA-N 279.387 3.545 30 20 CHED C=CCC(CC=C)C(=O)N(CC1CCC1)CC(F)(F)F 467527884 QBEPXNLSMHZHRI-UHFFFAOYSA-N 289.341 3.946 30 20 CHED C[C@@](O)(CSc1ccc(C#N)cc1Cl)C(F)(F)F 281802960 IRRYNYVQWZJLMG-SNVBAGLBSA-N 295.713 3.617 30 20 CHED C=C[C@@H](C)NC(=O)N(CCC)[C@@H](C)c1ccccc1OC 464759619 ZQKQUSPGSQSSBD-KGLIPLIRSA-N 290.407 3.752 30 20 CHED Cc1cc(CS[C@@H](C)C(=O)OC(C)(C)C)ccc1C#N 479703302 IQAIYNDEOZKNRU-LBPRGKRZSA-N 291.416 3.830 30 20 CHED CC(C)c1ccc(CNC(=O)Cc2ccc(C#N)cc2)cc1 385999425 LSJVBUFFWOVMAE-UHFFFAOYSA-N 292.382 3.541 30 20 CHED C#Cc1ccccc1CC(=O)Nc1c(CC)cccc1CC 291282009 YVWIKKYVRKSDME-UHFFFAOYSA-N 291.394 3.974 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)c1cc(F)ccc1F 802749828 OLCBCVBHKYLXSF-UWVGGRQHSA-N 271.332 3.688 30 20 CHED CCCCCCCCN[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 808782883 FLNBEJQJAMTHTI-KZNAEPCWSA-N 294.483 3.584 30 20 CHED C=C(C)CCOC(=O)c1cc(NC)ccc1Cl 808609381 HITPTRPVTGLODJ-UHFFFAOYSA-N 253.729 3.505 30 20 CHED N#CCCCC(=O)Nc1ccc(Cl)c(Cl)c1 292026465 ZWTPHGSGSUQXOZ-UHFFFAOYSA-N 257.120 3.626 30 20 CHED Cc1ccoc1CN(C)Cc1ccc(N(C)CCC#N)cc1 292755911 IXZVPGGVHSWXIL-UHFFFAOYSA-N 297.402 3.570 30 20 CHED C[C@H]1CC[C@H](C=NNc2nc(-c3ccccc3)no2)C1 800811685 FJYOSDWPUURRLU-RYUDHWBXSA-N 270.336 3.571 30 20 CHED C#Cc1ccc(C(=O)O[C@@H]2CCc3cc(Cl)ccc32)nc1 803339243 ZIQNZMKHZHYAGJ-MRXNPFEDSA-N 297.741 3.561 30 20 CHED C=CCOCCOc1c(C(C)=O)ccc(Cl)c1Cl 292641932 LPXIZQYFXSTCKC-UHFFFAOYSA-N 289.158 3.777 30 20 CHED C#C[C@@H](NC(=O)CC/C=C/c1ccccc1)C(C)(C)C 807883738 PNZQMDSQOJMMSV-LRFDDAOPSA-N 269.388 3.644 30 20 CHED Cc1sc2ncnc(NN=CCCC3CC3)c2c1C 807948769 SLSGDRKXLBNSRU-UHFFFAOYSA-N 274.393 3.896 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3ccccc3n2)CC1 640524594 TVJBJVHTKAMQDM-UHFFFAOYSA-N 281.359 3.665 30 20 CHED C=C(C)CSCC(=O)N1c2ccccc2CC[C@H]1C 477022585 ODOMJTYBVHXTAR-CYBMUJFWSA-N 275.417 3.664 30 20 CHED CCCC[C@H](C)C(=O)O[C@@H](C#N)C1CCCCC1 800274286 PYYWEAQJLZMLDN-JSGCOSHPSA-N 251.370 3.828 30 20 CHED C=CCCC1(C(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)CC1 476301788 RTGBSWAVQWLGMK-CKEIUWERSA-N 299.414 3.802 30 20 CHED C=CCN(C)C(=O)N[C@@H](C1CCCCC1)C1CCC1 645688400 SYGURNUZUBLPSS-HNNXBMFYSA-N 264.413 3.563 30 20 CHED CN(C)CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C 568569395 QEDATJMGMJPKIU-QZTJIDSGSA-N 299.462 3.502 30 20 CHED C#C[C@H](NC(=O)[C@H](CCC)c1ccccc1)C(C)(C)C 807880274 UNVOXTFYVAEDSG-CVEARBPZSA-N 271.404 3.734 30 20 CHED Cc1cccc(CN(C)C(=O)c2cccc(CC#N)c2)c1C 293542698 BCHKIXCZGHROGN-UHFFFAOYSA-N 292.382 3.642 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCC(F)(F)C1 479812487 IELMAJYAWOCXTM-LBPRGKRZSA-N 297.320 3.776 30 20 CHED C=CCOC(=O)CCSc1cccc(Cl)c1 808700915 SQSZJIIYSSNXMW-UHFFFAOYSA-N 256.754 3.551 30 20 CHED C=CCC(C)(C)CNC(=O)C1(c2ccccc2F)CC1 489829906 URUAVJBRNHDZTM-UHFFFAOYSA-N 275.367 3.576 30 20 CHED C=CCCCCSCC(=O)N(CC(F)(F)F)C(C)C 562824174 LZLPYJSDHSZUOA-UHFFFAOYSA-N 297.386 3.875 30 20 CHED COCC(=NOCCC(F)(F)F)c1ccc(Cl)cc1 814910385 TZIDUCPXVHOBJE-UHFFFAOYSA-N 295.688 3.660 30 20 CHED COc1cc(C(C)=NNc2c(C)cccc2C(C)C)on1 814934323 AXUKGWBPRLDUCQ-UHFFFAOYSA-N 287.363 3.951 30 20 CHED C=CCCCCN(CCC(=O)O)Cc1cccc(F)c1F 566978946 GYHRJBLFPNWDOY-UHFFFAOYSA-N 297.345 3.598 30 20 CHED C=CCN(CC=C)C(=O)CNc1c(C)cc(C)cc1Cl 642186896 ZYFJTCKSERKMJT-UHFFFAOYSA-N 292.810 3.569 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccccc1OC(C)C 812911055 IPMVKTRNFAAJHF-UHFFFAOYSA-N 293.366 3.636 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc3c(c2)CCO3)CCCC1(C)C 567297877 TVQBLPDXGBUKJA-QGZVFWFLSA-N 299.414 3.828 30 20 CHED C[C@@H]1CCC[C@H](NCC#Cc2ccc(F)cc2)[C@@H]1C 481180052 LCBDAPHTOZFWFR-CPUCHLNUSA-N 259.368 3.592 30 20 CHED CSCCON=C1CC[C@H](Cc2ccccc2)C1 814921911 JPZAORXFUWWTAG-CQSZACIVSA-N 263.406 3.765 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 815698951 FYVYTILXBSQJSO-ZFWWWQNUSA-N 293.357 3.850 30 20 CHED CC(=O)c1ccc(OCc2cccc(F)c2C#N)c(F)c1 488298242 QRYUWIPZYCAUOH-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=CCCCCCCCNC(=O)N1CCSC[C@H](C)C1 811927898 SMOOZGAZGGWHAS-OAHLLOKOSA-N 298.496 3.908 30 20 CHED CC[C@H](C)NN=C1CCc2sc(Br)cc21 814913603 QZCNURXMIJYXFE-ZETCQYMHSA-N 287.226 3.549 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCc1cn2ccccc2n1 657831714 GJBUMLCTGHYPCY-NVXWUHKLSA-N 283.419 3.601 30 20 CHED C=CCCC1(C(=O)N2C[C@H](C)CN(C)c3ccccc32)CC1 483639517 PBZCRWLVPDCCMS-OAHLLOKOSA-N 298.430 3.852 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 812007086 KLGQFWOFSKXNJB-WFASDCNBSA-N 290.382 3.576 30 20 CHED C=CCn1c(N2CCCC[C@H]2CC)nnc1C(C)(C)C 572049250 NKQWBXSQRYSECB-CYBMUJFWSA-N 276.428 3.531 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 816603143 AKUHOJSKLXEVPI-GXFFZTMASA-N 290.234 3.631 30 20 CHED O=[N+]([O-])c1ccccc1CC(=NOC/C=C/Cl)C1CC1 811669815 VHWGQEGLEDRCNU-QLQPAESESA-N 294.738 3.672 30 20 CHED C[C@@H](NN=C1CCCC12CCCC2)c1ccncc1 819819140 SKOLXGJLKYLNLN-CYBMUJFWSA-N 257.381 3.833 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 480351972 HLEJNAQEFKDCQB-RBSFLKMASA-N 281.440 3.689 30 20 CHED C=CCn1c(SCSC)nnc1-c1ccccc1F 814724297 LGIRDLGLTHXBHK-UHFFFAOYSA-N 295.408 3.683 30 20 CHED C=CCCCc1nc(-c2ccc(OCC)c(F)c2)no1 485950466 GAGHGSQGNREVBB-UHFFFAOYSA-N 276.311 3.783 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCOc1cccc(F)c1 488842001 RRRMSURDPVMDEZ-HNNXBMFYSA-N 291.366 3.552 30 20 CHED CCCCCCCCCNC(=O)c1snnc1C1CC1 810043387 UBBVFEPWWCUVIG-UHFFFAOYSA-N 295.452 3.896 30 20 CHED C=CCn1cccc1C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 488735325 OTFFCWFFXYTBKB-WMLDXEAASA-N 280.371 3.507 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@H](CCC)CCO 657896793 VZZNFSDFOOUOAI-ARFHVFGLSA-N 253.430 3.510 30 20 CHED C=CCCOC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 729074365 VAGGSSTYKURFGH-UHFFFAOYSA-N 284.277 3.856 30 20 CHED C=CCC(C)(C)CNC(=O)NC1(C)CCC(F)(F)CC1 655966791 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266.300 3.771 30 20 CHED COc1ccc(NN=Cc2ccc(C)c(F)c2)cc1 750925928 UXKCWSIFZUICKE-UHFFFAOYSA-N 258.296 3.589 30 20 CHED Cc1ccc(F)cc1NN=Cc1cnn(C(C)(C)C)c1 853393552 KXLKWYBXGYOEPW-UHFFFAOYSA-N 274.343 3.532 30 20 CHED C(=NO[C@@H]1CCCCO1)c1cccc(-c2cccnc2)c1 755815121 OJQXQGGVIRWPCO-QGZVFWFLSA-N 282.343 3.626 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)c1ccccc1C)c1ccncc1 932887518 UWRXMHWPCOFJHT-MAUKXSAKSA-N 294.398 3.927 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C)cc2O)c1 757474685 DBLGBEFLXOTSDV-VQHVLOKHSA-N 268.312 3.605 30 20 CHED Cc1oc2ccc(NC(=O)N3CCC[C@H](C#N)C3)cc2c1C 930898176 SSBXLLFLVSDNMC-CYBMUJFWSA-N 297.358 3.817 30 20 CHED C#CCON=Cc1cc(Cl)c(OCCC)c(OCC)c1 766059853 TXJLNNVIIUNRQB-UHFFFAOYSA-N 295.766 3.511 30 20 CHED COCCC1(C(=O)OCCCCC(C)(C)C#N)CCCC1 768770244 KMRFQGHGNJQECQ-UHFFFAOYSA-N 295.423 3.847 30 20 CHED Fc1ccc(CC=NNc2ccc(Cl)nn2)c(Cl)c1 766429681 JDNRMOKBEQWYMU-UHFFFAOYSA-N 299.136 3.563 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(-c2ccon2)c1 933785584 DPIWNGZAFRIBLE-HNNXBMFYSA-N 297.358 3.914 30 20 CHED C#CCCc1noc(/C(C)=C/c2cccc(Cl)c2)n1 762012749 ZOGFHGIIFKAYKU-PKNBQFBNSA-N 272.735 3.849 30 20 CHED Cc1ccccc1CC(=O)OCCCCC(C)(C)C#N 768395092 LEOOOCOHDCHWPK-UHFFFAOYSA-N 273.376 3.801 30 20 CHED Cc1ccc(CC(=O)[C@H](C#N)c2nc(C(C)C)cs2)o1 760154841 XBWPLNTVIDWXOK-LBPRGKRZSA-N 288.372 3.587 30 20 CHED N#Cc1ccc(NN=CCc2ccc(F)cc2Cl)cc1 766451410 WLGMSQQWPMOUCZ-UHFFFAOYSA-N 287.725 3.991 30 20 CHED Cc1coc2ccc(NC(=O)N3CCC[C@@H](C#N)C3)cc12 930938199 GTTBZQLZODSYFZ-LBPRGKRZSA-N 283.331 3.509 30 20 CHED Clc1ccc(C=NNc2ccccn2)c2ncccc12 760227153 SLVWMQGYIQIZJL-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CC(C)COc1ccccc1C(=O)OCC1(C#N)CCC1 768099585 PQHJJSMXXGWWBR-UHFFFAOYSA-N 287.359 3.572 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc2cc(OC)ccc2c1 767052768 GESLMKRIMYAISH-UHFFFAOYSA-N 296.366 3.941 30 20 CHED CC(=NNc1cc(C)ncn1)c1ccc(OC(C)(C)C)cc1 764910548 QNYBNBUZKBOJQQ-UHFFFAOYSA-N 298.390 3.798 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1cncs1 1116742001 BAJOLPRUQKHNIA-FNORWQNLSA-N 255.342 3.528 30 20 CHED CCc1ccc(-c2nnc(C#Cc3ccccc3)o2)cc1 1118439231 ZNXLRCLSKWIWMC-UHFFFAOYSA-N 274.323 3.699 30 20 CHED C[C@H](CCC#N)CNCc1ccc(Br)cc1F 877045978 HRRQJEDZRHQEME-SNVBAGLBSA-N 299.187 3.618 30 20 CHED C#Cc1ccc(-c2nc(C(C)(C)C3=CCCCC3)no2)nc1 771726571 UNWJJHJJWILGCI-UHFFFAOYSA-N 293.370 3.891 30 20 CHED N#Cc1ccc2c(c1)CCCC2=NOC1CCCC1 774597217 QFVNCNMWNQMEDM-UHFFFAOYSA-N 254.333 3.558 30 20 CHED N#Cc1ccccc1/C=C\C(=O)O[C@@H](C#N)C1CCCCC1 776370172 CRMHXSFYPIUMBR-MQNTZWLQSA-N 294.354 3.587 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1ccc(C#N)cc1Cl 779986110 KAXGQWMMKSILRE-KTKRTIGZSA-N 262.740 3.897 30 20 CHED C#CCOc1ccc(CN[C@@H](C)CCCC=C)cc1 776254247 ABYLWSWJUUNYEM-HNNXBMFYSA-N 257.377 3.533 30 20 CHED C#CCCN1CCN([C@H](C)c2cccc3ccccc23)CC1 776594522 KUDAZRAOWHQVKU-QGZVFWFLSA-N 292.426 3.542 30 20 CHED C=C(CC)COC(=O)c1cnc(-c2ccco2)s1 773518010 SZOINIHDVJZIAS-UHFFFAOYSA-N 263.318 3.526 30 20 CHED C#C[C@H](N[C@@H](C)c1ccc(SCC)cc1)[C@H]1CCCO1 775572603 SLGOLDPLISBTNQ-RRQGHBQHSA-N 289.444 3.630 30 20 CHED C#CCCN[C@H](C)c1ccc(OCCCC)c(OC)c1 775181287 MCCXBOSDPOFTHL-CQSZACIVSA-N 275.392 3.548 30 20 CHED CCCCCCCCNC(=O)N(C)C[C@H]1CCCC[C@@H]1O 779371127 DYRZFESZYKDJGJ-CVEARBPZSA-N 298.471 3.539 30 20 CHED Cc1ccccc1C=NOCc1ncc(Cl)s1 774724205 CDQQTZWGULVXRE-UHFFFAOYSA-N 266.753 3.656 30 20 CHED Cc1cc(F)ccc1C(=O)OCc1cc(C#N)ccc1F 771402495 SELHGGCBGFWBFS-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(OC)c(C)c1 776190747 BICLHKUIYOHBDS-ALCCZGGFSA-N 281.355 3.857 30 20 CHED Fc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cn1 777442934 GNTLATXFIGLVRV-UHFFFAOYSA-N 283.228 3.686 30 20 CHED CCOCCON=Cc1ccc(-c2cccs2)cc1F 774413573 CRNRUCYNCCTFIZ-UHFFFAOYSA-N 293.363 3.941 30 20 CHED CCOCCON=C(C)c1ccc2ccccc2c1 774423896 ZINAZVGQLLWJDX-UHFFFAOYSA-N 257.333 3.617 30 20 CHED CCCCCCCC(=O)Nc1cc(C(C)=O)ccc1O 777782633 VTJQZTVCXRCLBR-UHFFFAOYSA-N 277.364 3.894 30 20 CHED C#CCC1(C(=O)NCC[C@@H](OCC)C(C)C)CCCCC1 788226538 BORDMJIFMRZYHR-MRXNPFEDSA-N 293.451 3.528 30 20 CHED COc1cc(C)c(C=NN[C@@H]2CCCC2(C)C)cc1OC 782303803 ZZKICOZZGQZRPJ-MRXNPFEDSA-N 290.407 3.514 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccccc2C#N)CC1 785614423 TXRRHUDZVMAENH-XXLXYPQYSA-N 282.387 3.656 30 20 CHED CC(C)(C#N)CCCOC(=O)C(F)=C1CCCC1 784152289 MIFHPFXXCWNQLS-UHFFFAOYSA-N 253.317 3.657 30 20 CHED C=CCCCCCOC(=O)c1ccc(OC(F)F)cn1 784786642 FCGIQZDMQHISSC-UHFFFAOYSA-N 285.290 3.586 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc([C@]2(C)COC(=O)N2)c1 883328314 PIPGADUBAONENP-AHIWAGSCSA-N 288.391 3.654 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(C#N)cc1F)C1CC1 1120600822 HRGSUGSJQNKLPL-VXGBXAGGSA-N 288.366 3.737 30 20 CHED Fc1cc(F)cc(NN=Cc2scnc2C2CC2)c1 782201760 TZDXJRWQQSALMR-UHFFFAOYSA-N 279.315 3.745 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(-c2cnco2)cc1 898062139 KBUFAEAHTCBNJB-KRWDZBQOSA-N 284.359 3.560 30 20 CHED C=C1CC(c2noc(C[C@H](C)c3ccccc3OC)n2)C1 896882107 QQGCMNKDUDHXGJ-LBPRGKRZSA-N 284.359 3.858 30 20 CHED COc1cc(NN=Cc2ccccc2)ccc1Cl 788471925 KGUIOASERNDPTM-UHFFFAOYSA-N 260.724 3.795 30 20 CHED C=C1CC(c2noc(-c3cnn(CC(C)C)c3CC)n2)C1 896883652 RPNVHDAHXCJLSR-UHFFFAOYSA-N 286.379 3.585 30 20 CHED CCc1cccc(Cl)c1/C=C/C(=O)c1cc(C)nn1C 789156525 OVUNTHAGLRPVDL-CMDGGOBGSA-N 288.778 3.840 30 20 CHED C=C1CC(c2noc(CCCOc3cccc(C)c3)n2)C1 896889590 CBSYFMBXWUFGMB-UHFFFAOYSA-N 284.359 3.823 30 20 CHED O=c1[nH]ccc2cc(NN=Cc3ccccc3Cl)ccc12 789073184 GKJMPDILLNJHNN-UHFFFAOYSA-N 297.745 3.628 30 20 CHED O=C(/C=C/c1ccc(OCC(F)F)cc1)c1cncs1 787171870 FUMKJYRHCXOLHU-ZZXKWVIFSA-N 295.310 3.683 30 20 CHED C#Cc1cncc(-c2noc([C@@H](CC)OC3CCCC3)n2)c1 896555725 KNEZXEMPUYMZCP-OAHLLOKOSA-N 297.358 3.523 30 20 CHED N#CC[C@@H](CC(=O)Nc1cccnc1Cl)c1ccccc1 792920595 ZFYRQWIAKSOYBA-ZDUSSCGKSA-N 299.761 3.761 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C\c1ccccc1F)C2 794962213 XPEWHQFZOPFRNW-QPEQYQDCSA-N 298.313 3.665 30 20 CHED COCCCON=C(C)Cc1ccccc1C(F)(F)F 795041731 IBQAAPYMIPYPOM-UHFFFAOYSA-N 289.297 3.677 30 20 CHED COc1ccccc1CON=Cc1cccc(F)c1F 799118562 LIMOYHMCYJKQLG-UHFFFAOYSA-N 277.270 3.524 30 20 CHED CC[C@@H](C)NN=C1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] 790180829 AXDUIUVGDSLNAO-OLZOCXBDSA-N 289.379 3.682 30 20 CHED COc1cc(F)cc(NN=C2CCC[C@H]2CCF)c1 794918202 DFHGANJURWKVIH-JTQLQIEISA-N 268.307 3.762 30 20 CHED CC(C)c1ccoc1C(=O)OCc1ccc(C#N)cc1F 792598302 KVKBTPSUFYAUCH-UHFFFAOYSA-N 287.290 3.771 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)CCc2ccc(O)cc21 794959833 DXRARTBGAQYFET-GHXNOFRVSA-N 286.277 3.883 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](CO)c1cccc(F)c1 793541664 SGXRILDOFOFPMX-PBHICJAKSA-N 279.399 3.974 30 20 CHED CCn1cc(C(=O)/C=C/c2ccnc(Cl)c2Cl)cn1 791433720 HKGBNAGSFZQKBD-ONEGZZNKSA-N 296.157 3.501 30 20 CHED CCCCCCCCCN1CCC[C@@]12CCOC2=O 792294194 GYPQUFYSBQCXGQ-INIZCTEOSA-N 267.413 3.519 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc(OC(C)C)c(C(N)=O)c1 793379699 VYYLEGJZHKLTKL-OLZOCXBDSA-N 290.407 3.585 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cc3c(cc2Cl)OCCCO3)C1 799722950 XBHTUFVYPRPZTI-GHMZBOCLSA-N 292.766 3.605 30 20 CHED CCc1ccc(CNc2ccc(F)c(C#N)c2)cc1 51635089 RQZFDSLQXINTOI-UHFFFAOYSA-N 254.308 3.872 30 20 CHED CCCOc1ccccc1OCc1cccc(C#N)c1 19805000 GXGSSMPNXJQXPZ-UHFFFAOYSA-N 267.328 3.926 30 20 CHED N#Cc1cnnc(Nc2cccc(-c3cccs3)c2)c1 1162361776 ZUSXUPXKWLQXQO-UHFFFAOYSA-N 278.340 3.820 30 20 CHED Cc1ccnc(N2CCC[C@H](C(C)(C)C)CC2)c1C#N 135080795 YGXAFWWKHQFFFK-AWEZNQCLSA-N 271.408 3.914 30 20 CHED COc1cc(F)cc(NCc2ccc(C#N)c(C)c2)c1 1320890143 YVRBQFUNBFZUOJ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1ccc(N2CCCC3(CCCCC3)CC2)nc1 302768790 MGUDOBHGUJISBF-UHFFFAOYSA-N 269.392 3.894 30 20 CHED CC1(C)C[C@H](CNc2ccc(Cl)cc2C#N)CCO1 413326928 CHSUKDVOSTXFIQ-LLVKDONJSA-N 278.783 3.829 30 20 CHED CC1CCC(=CC(=O)Nc2ccc(OCC#N)cc2)CC1 1328386984 VSRLAKDNNXBOLS-UHFFFAOYSA-N 284.359 3.664 30 20 CHED N#CCc1cccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)n1 1320364280 LOJMMUARRXFPMX-UMVBOHGHSA-N 255.365 3.528 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cccc(C(F)F)c2)C1 1321283527 ZODITQCTLVMGPN-BXUZGUMPSA-N 264.319 3.796 30 20 CHED CC1(C#N)CN(Cc2csc(C3CCCCC3)n2)C1 563894305 IYXDWSMCFRGUOO-UHFFFAOYSA-N 275.421 3.536 30 20 CHED C=CCCOCCN[C@H](C)c1ccccc1SC 194938571 SMIUAJVIFSAXGN-CYBMUJFWSA-N 265.422 3.652 30 20 CHED C=C(CC)CN1CCCC[C@@H]1[C@@H](O)c1ccccc1 773451285 JQFCVNIUYZTWAH-SJORKVTESA-N 259.393 3.541 30 20 CHED C#Cc1ccc(NC[C@@H]2CCCO[C@H]2c2ccccc2)nc1 1336476975 OILUJBKFBVRYBR-HKUYNNGSSA-N 292.382 3.643 30 20 CHED C=C(C)CCC(=O)Nc1cc(Br)ccc1F 1337025851 OJVFAMSWWDDKPL-UHFFFAOYSA-N 286.144 3.883 30 20 CHED Cc1cnc(Cl)cc1C(=O)OCCCCC(C)(C)C#N 1336405807 CIAKMMMYBWENKK-UHFFFAOYSA-N 294.782 3.920 30 20 CHED Cc1cc(CNC(=O)CC#Cc2ccccc2)ccc1Cl 1342350450 XNARGTDYDJWLGI-UHFFFAOYSA-N 297.785 3.706 30 20 CHED CC[C@H](C#N)N(CC)C(=O)Cc1ccc2ccccc2c1 1340891789 JNXWVEMLXVQIEX-QGZVFWFLSA-N 280.371 3.533 30 20 CHED C=C[C@@H](C(=O)N1CC(Cc2ccsc2)C1)c1ccccc1 1347123355 QIZWUHQYOOODLU-QGZVFWFLSA-N 297.423 3.719 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)c1cccnc1)c1cccs1 1343903040 XKVQKYDMDYJLIG-SMDDNHRTSA-N 286.356 3.591 30 20 CHED CC(C)(CCC#N)COC(=O)[C@H]1CCc2cc(F)ccc21 1345824858 OERVSRRWRDEBPO-HNNXBMFYSA-N 289.350 3.729 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1csc(C#N)c1 1347825202 JSNDWCVKSAUTDG-GFCCVEGCSA-N 264.394 3.708 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2cc3ccccc3[nH]2)no1)OCC 1350927359 RELRVOFISLGEGL-OAHLLOKOSA-N 297.358 3.742 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](C#N)CCc1ccccc1 1442748097 LGPSARSBQPOGJO-BPQIPLTHSA-N 298.430 3.701 30 20 CHED CC(C)C[C@H](C(=O)N(C)[C@@H](C)CC#N)c1ccccc1 1518826090 SSRRGYFSFGTGHU-HOCLYGCPSA-N 272.392 3.577 30 20 CHED C[C@@H](C(=O)Nc1cc(CC#N)ccn1)c1ccc(Cl)cc1 1525327214 QKQHTTQVPNUFBI-LLVKDONJSA-N 299.761 3.543 30 20 CHED C=C(CC)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 1521126824 SEFNIGJTFAGXTC-ABAIWWIYSA-N 261.340 3.701 30 20 CHED CCC1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCCC1 1457949461 OJZCFSAHXLCROD-UHFFFAOYSA-N 290.794 3.912 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC(C)(C)CCC1(C)C 1539703597 CYXBLGHHGNYQRI-UHFFFAOYSA-N 284.403 3.908 30 20 CHED C[C@@H](Cc1ccc(N[C@H](C)CC(C)(C)C#N)cc1)C(=O)O 1604122794 CJBJUERXJDOKBN-QWHCGFSZSA-N 288.391 3.690 30 20 CHED Cc1nsc(N[C@H]2CCC(C)(C)C[C@@H]2C)c1C#N 1472717884 YJEFHVVXYLUFLI-CABZTGNLSA-N 263.410 3.950 30 20 CHED COc1ccc(NC(=O)CCC2CCCCC2)cc1C#N 1624699382 BBLJQHQKMCWRTO-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C=C(CNC(=O)Nc1c(C)cc(C)nc1C)c1ccccc1 1562901006 ZGCHKHIINFMLJT-UHFFFAOYSA-N 295.386 3.842 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(OCCC)c(C)c1 1563122061 COLKIQOBPZXZTG-UHFFFAOYSA-N 282.771 3.658 30 20 CHED C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1cc2ccccc2o1 1641297082 YSVXYNPJOOEXAZ-KGLIPLIRSA-N 296.370 3.689 30 20 CHED CC(C)C(C)(C)CNc1ncc(C#N)cc1Br 1642584128 VVTUSTLXLKQILX-UHFFFAOYSA-N 296.212 3.810 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@]1(C(=O)O)CC1(C)C 1589645356 YJDWPINFYAMKEM-SUMWQHHRSA-N 297.439 3.600 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1C#N 1651930942 UYQOJTGQWXIVPX-GBIKHYSHSA-N 261.756 3.516 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1c(Cl)ccc(C(=O)O)c1C 1588534707 CAYZOJRDZSMKQY-VIFPVBQESA-N 295.766 3.887 30 20 CHED N#Cc1cccc(C#N)c1Sc1ccc2c(c1)CCO2 1655550838 LVRRLELTAFADOA-UHFFFAOYSA-N 278.336 3.516 30 20 CHED Cc1cnc(OC(C)C)c(NCc2cccc(F)c2C#N)c1 1658170317 JKVXRFMOFMBAEO-UHFFFAOYSA-N 299.349 3.800 30 20 CHED C=C[C@@H](Nc1cccc(CSC2CCCC2)c1)C(=O)O 1588702227 NKFGDINSKITLDW-OAHLLOKOSA-N 291.416 3.914 30 20 CHED COC(=O)c1ccc(CNc2cccc(C#N)c2C)cc1C 1662556909 XNUQBTQAHHNFIK-UHFFFAOYSA-N 294.354 3.574 30 20 CHED Cc1cc(NN=C2CC[C@@H](CC(=O)O)[C@H]2C)ccc1Cl 1776105143 PUMSZYXPILLYDI-MNOVXSKESA-N 294.782 3.937 30 20 CHED Cc1ccc(NN=Cc2cc(C(=O)O)cs2)cc1Cl 1776034957 QJRQOJURCLIUKN-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=CCN(Cc1ccc(C)cc1)c1nc(C)ccc1C(=O)O 1776179934 HVFFUKJRZYUDAV-UHFFFAOYSA-N 296.370 3.589 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 162139234 ZRLMQMYRGDQNCN-SFHVURJKSA-N 286.419 3.725 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)N(CC)C(C)C 162582407 HLNKLZXZUSGUIW-UHFFFAOYSA-N 290.407 3.534 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCC(C)(C)C1 162824744 PGCGIHRLSBXNMP-CYBMUJFWSA-N 273.376 3.560 30 20 CHED C=CCCSCC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 151967155 IVEZJOAXIWITHH-KRWDZBQOSA-N 289.444 3.872 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccc(OCC)cc1 151971395 YQLQUQBKGQCLGN-LBPRGKRZSA-N 279.405 3.722 30 20 CHED CCOc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1 155230311 LYQFOLGYZFGQOT-UHFFFAOYSA-N 295.342 3.795 30 20 CHED C=CCCNc1ccccc1NC(=O)C[C@H]1C=CCC1 157180777 JJHBKWGAVXQPHQ-AWEZNQCLSA-N 270.376 3.969 30 20 CHED COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N/C(=N\C[C@H]2CCCO2)N1 160207458 AULGYZNXSXFYCN-SNVBAGLBSA-N 380.832 1.300 30 20 CHED C=CCCCCNC(=O)c1nc(Cl)sc1Cl 847748085 ZEZMCDRYRPUVFM-UHFFFAOYSA-N 279.192 3.536 30 20 CHED CS[C@@H]1CC[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)C1 224694785 CSQQGZWCXKECSX-DUVNUKRYSA-N 290.432 3.524 30 20 CHED CCCCCCCCCN(C)Cc1nc(C)no1 126225211 HCEXSCFXLOEOCM-UHFFFAOYSA-N 253.390 3.560 30 20 CHED N#Cc1ccc(CNCc2ccc(C(F)F)cc2)cc1 131360019 LRWMCBLNVWVFPT-UHFFFAOYSA-N 272.298 3.786 30 20 CHED N#Cc1cnc2ccccc2c1N1CCCCCCC1 36913289 OAIDGGYOFYMYPV-UHFFFAOYSA-N 265.360 3.877 30 20 CHED Cc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 37230860 ZMXAOCAKVYAGNP-CQSZACIVSA-N 250.345 3.718 30 20 CHED C=CCN(Cc1ccccc1)Cc1csc(CC)n1 45796837 BUDKHYIFQMEIRV-UHFFFAOYSA-N 272.417 3.894 30 20 CHED C=CCN(CC=C)Cc1ccc(F)c2cccnc12 51767023 CCYJYZVHTXJDTC-UHFFFAOYSA-N 256.324 3.548 30 20 CHED CCC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccccn1 308052747 HQFJFDQASIVXLP-UONOGXRCSA-N 258.365 3.720 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCCc1cccc(C#N)c1 467449749 RNXAFDINYDDSEL-SJORKVTESA-N 256.393 3.659 30 20 CHED C[C@@H]1CCC[C@@H](N(C)c2ncc(C#N)cc2Cl)C1 339138825 XTWIRVNAJAOTAQ-ZYHUDNBSSA-N 263.772 3.622 30 20 CHED CCS[C@H]1CC[C@H](N(C)c2nccc(C#N)c2Cl)C1 342441956 QBVVVXPGCMHTMB-RYUDHWBXSA-N 295.839 3.717 30 20 CHED Cc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1Cl 6250031 WAOFIIKLEASJOT-UHFFFAOYSA-N 299.761 3.571 30 20 CHED N#Cc1ccc(F)c(CSc2nc3ccccc3[nH]2)c1 19847616 KJNXURGWODQOQC-UHFFFAOYSA-N 283.331 3.866 30 20 CHED C#Cc1cccc(NC(=O)CCC(=O)c2ccc(C)cc2)c1 29474011 ZJPFGEFOKUDJJM-UHFFFAOYSA-N 291.350 3.578 30 20 CHED C=C(C)CN(CC)C(=O)c1csc(Br)c1 35222343 DVAGFLDPSYOUCF-UHFFFAOYSA-N 288.210 3.549 30 20 CHED N#Cc1nnc2ccccc2c1NCc1cccc(Cl)c1 41529997 JACQAZHPROREPW-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CN(C(=O)/C=C/c1ccccc1C#N)c1ccc(F)c(F)c1 56226789 QJNYXYPDXSHPLW-RMKNXTFCSA-N 298.292 3.513 30 20 CHED C[C@@H](OCCCNCc1ccc(C#N)cc1)c1ccccc1 57626206 CWTOUPFUAKUUJB-MRXNPFEDSA-N 294.398 3.816 30 20 CHED CSc1cccc(NC(=O)c2ccc(CC#N)cc2)c1 58243087 IPGKDQWEFGTMLJ-UHFFFAOYSA-N 282.368 3.727 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1 66320051 HSJRMGAXGFXSTA-RDJZCZTQSA-N 287.403 3.640 30 20 CHED Cc1cccc(C)c1C(=O)N[C@@H](C)c1cccc(C#N)c1 72542910 XWXBVCWLBOMDES-AWEZNQCLSA-N 278.355 3.666 30 20 CHED N#Cc1c(CSCc2ccco2)cn2ccccc12 78492809 YZNDVIVCVMYOOY-UHFFFAOYSA-N 268.341 3.837 30 20 CHED CCN(CCC#N)[C@H](C)c1nc2ccccc2n1C(F)F 81040268 HPYLRQIPGNWGBC-LLVKDONJSA-N 292.333 3.728 30 20 CHED Cc1ncsc1CNc1ccc(Cl)c(C#N)c1 88869164 XKFYKPGMPWLJLV-UHFFFAOYSA-N 263.753 3.589 30 20 CHED COCCCCNc1ccccc1S[C@H](C)CC#N 89660397 HDZIQFKPNRXDFH-CYBMUJFWSA-N 278.421 3.919 30 20 CHED CCS[C@@H]1CCCCN(Cc2cc(C#N)cs2)C1 93361867 ABVGAXYHLOSXFK-CYBMUJFWSA-N 280.462 3.727 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CCC2(CCCC2)CC1 96810528 FDWLIYFHKFGNIX-UHFFFAOYSA-N 285.347 3.627 30 20 CHED C=CCCC(=O)Oc1ccc(N(C)C(=O)C(C)(C)C)cc1 102216919 VCXHILYSOAKQDT-UHFFFAOYSA-N 289.375 3.567 30 20 CHED Oc1ccc(Br)cc1/C=N\C1CCCC1 103010849 PLTFPIBRPBNXKB-ZSOIEALJSA-N 268.154 3.516 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCc1ccccc1 104542732 NVMQDPOECKZPBD-UHFFFAOYSA-N 286.419 3.798 30 20 CHED Cc1nc(C)c([C@H](C)N(C)Cc2ccc(C#N)cc2)s1 106875281 JQTMVYHTJHEZRU-LBPRGKRZSA-N 285.416 3.825 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H]2c2ccccc2)cc1 111412701 DKZHJUBPRXOAGR-RBUKOAKNSA-N 276.383 3.984 30 20 CHED C#CC[C@H](OC(=O)/C=C(/C)c1ccccc1)c1ccccn1 113661880 XCASKTHOQUJCIR-OUFNUQFJSA-N 291.350 3.793 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc2ccc(C)nc12 114578402 KSLCJBJKKSGUSH-UHFFFAOYSA-N 281.359 3.749 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1cc(Cl)ccc1Cl 116859162 FBRLAZGRXNAILS-SECBINFHSA-N 272.175 3.617 30 20 CHED C=CCCCOC(=O)Cc1nc(-c2cccs2)oc1C 117994424 KCNBDJHJBDWDND-UHFFFAOYSA-N 291.372 3.763 30 20 CHED CC(C)[C@@H](C)NC(=O)CS[C@@H](C)c1ccc(C#N)cc1 118445683 NGZVFNKQUHMBID-OLZOCXBDSA-N 290.432 3.513 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc(F)c1F 121450183 GQPVCJHZQQFOLH-UHFFFAOYSA-N 280.318 3.557 30 20 CHED Cc1ccc(-c2ncc(CN3CCC(C#N)CC3)s2)cc1 123780432 FVRYKTGECOKPQQ-UHFFFAOYSA-N 297.427 3.854 30 20 CHED CCc1nnc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c(C#N)c1CC 124988313 VFQMIKRIUCDDSM-YNEHKIRRSA-N 286.423 3.710 30 20 CHED C[C@@H](C[C@H](O)c1ccc(F)cc1)NCC(C)(C)CCC#N 130872682 DILDRRSFNHVWOO-BBRMVZONSA-N 292.398 3.557 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H](C)C1CCC1 131305544 FRDJJJDGPWZPDU-GFCCVEGCSA-N 278.421 3.634 30 20 CHED CCCCCCC[S@@](=O)Cc1c(C)noc1C 132494846 PZINPFHFKOXOAT-KRWDZBQOSA-N 257.399 3.511 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(C(F)(F)F)c1 136165636 XUGBLNRZXDMEDL-GFCCVEGCSA-N 270.254 3.584 30 20 CHED C=CCOc1cccc(NC(=O)CCCCSC)c1 150867920 LWHHREHYAGWKMN-UHFFFAOYSA-N 279.405 3.723 30 20 CHED Cc1ccc(-c2nn(CCC#N)cc2Br)cc1 152408460 GPVCBEJRGBRMIA-UHFFFAOYSA-N 290.164 3.535 30 20 CHED CC[C@H](S[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 156596163 GBTGJIZNKGJUTR-ZFWWWQNUSA-N 290.432 3.631 30 20 CHED Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2cccc(C#N)c2)c1 157396652 BNVJKBBZZBITGB-GFCCVEGCSA-N 281.315 3.948 30 20 CHED COc1ccccc1C(=O)CSc1cccc(C#N)c1 158674525 JXVHGTYGDYEVSX-UHFFFAOYSA-N 283.352 3.542 30 20 CHED N#Cc1csc(CNc2nccc3sccc23)c1 158965396 WLTRSUXAFIMREI-UHFFFAOYSA-N 271.370 3.842 30 20 CHED C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)C1CCC1 159991650 SFQIJNMJPUSDFD-MRVPVSSYSA-N 269.270 3.573 30 20 CHED C=CCC[C@H](CC)NCc1nccn1CCc1ccccc1 164292832 ROCOHWSZJFCBJD-SFHVURJKSA-N 297.446 3.960 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H](C)Cc1cccs1 165494797 CKULNNJPOYBDSS-AWEZNQCLSA-N 284.428 3.991 30 20 CHED Cc1cc(C#N)ccc1CSc1ccc(O)cc1 166213132 VWFOTAUOYUAWHQ-UHFFFAOYSA-N 255.342 3.865 30 20 CHED C#CCCCNC(=O)N1CCCC[C@H]1c1ccc(C)cc1 173324754 AOHPCKSKVYRRAO-KRWDZBQOSA-N 284.403 3.645 30 20 CHED C=CCOCCCC(=O)N1CCC[C@@H]1c1ccccc1C 173664036 YOTAYOCFZBXACT-QGZVFWFLSA-N 287.403 3.641 30 20 CHED CC[C@@H](C)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 174090505 DKEJCZPIUWNGDU-SECBINFHSA-N 299.296 3.839 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)c1ccc(Cl)s1 175429625 CHAVXXWGIBJDSF-SNVBAGLBSA-N 271.813 3.930 30 20 CHED C=CCCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 175724927 RMNHAYYFWSMASV-DZGCQCFKSA-N 275.367 3.886 30 20 CHED C=CCCCC(=O)N(CC)[C@@H](C)c1cccc(OC)c1 175838452 SVWWFSQYNJCCGU-AWEZNQCLSA-N 275.392 3.961 30 20 CHED N#C[C@H](OC(=O)c1ccc(Oc2ccccc2)o1)C1CC1 176061079 SQVFPKKFFMAYFB-AWEZNQCLSA-N 283.283 3.531 30 20 CHED C[C@H]1CN(C(=O)NCCCCC#N)CC[C@@H]1c1ccccc1 176390514 BGKDRUBHPXUBOL-RDJZCZTQSA-N 299.418 3.515 30 20 CHED CCN(Cc1cccnc1OC)[C@@H](C)c1ccc(C#N)cc1 176457136 CANFYZBBGWOLCX-AWEZNQCLSA-N 295.386 3.545 30 20 CHED Cc1cc(OC(=O)C2(C#N)CCCCC2)ccc1F 177973649 UEAUJLQWCPCTEI-UHFFFAOYSA-N 261.296 3.514 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cnn(C(C)C)c1)CC2 179072106 ROTKDSCDNNUGPT-SXGWCWSVSA-N 280.371 3.985 30 20 CHED CC(C(=O)[C@@H](C#N)c1nc2ccccc2o1)=C1CCCC1 179307216 APFRYLJMOOCDFK-CYBMUJFWSA-N 280.327 3.895 30 20 CHED C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1cccc(C#N)c1 179893490 ZSWGCZUHTAPBRE-CYBMUJFWSA-N 293.370 3.560 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc(C(C)C)s1 182590482 ORISQXMWMUMXHM-NSHDSACASA-N 266.410 3.741 30 20 CHED Cc1nnc(SCc2ccc(F)c(F)c2)c(C#N)c1C 182716098 APRJJCBCZVUDIH-UHFFFAOYSA-N 291.326 3.536 30 20 CHED CCC(CC)n1nc(C(=O)Nc2ccccc2C#N)cc1C 182888183 SOQRKDZMESWVDG-UHFFFAOYSA-N 296.374 3.677 30 20 CHED CC[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccc(OC)cc1 183446096 RJJUGUKNNFARFZ-QGZVFWFLSA-N 294.354 3.699 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCc2ccoc2)c1 185240687 VNZXWQMHEFPVSF-UHFFFAOYSA-N 266.222 3.782 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccc(C(F)F)cc1 185535585 DMENKWLYDXHKTN-MRXNPFEDSA-N 264.724 3.625 30 20 CHED CC(C)Oc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 185729530 ILXFDFMBDLNIAZ-ZIAGYGMSSA-N 258.365 3.968 30 20 CHED C=CCOCCCC(=O)Nc1cccc(C(C)(C)C)c1O 185843297 BDZWIAMGEUCZTJ-UHFFFAOYSA-N 291.391 3.611 30 20 CHED Cc1coc2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc12 188000308 ZQTJBCOOEBCNTG-NSHDSACASA-N 271.320 3.507 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2oc(CC)nc2c1 190766032 QOFVIGDIFJDSSY-MRXNPFEDSA-N 272.348 3.931 30 20 CHED CC(C)N(C)c1ccc(/C=C/C(=O)c2cccs2)cn1 191207205 IRMKXNWVENASLU-SOFGYWHQSA-N 286.400 3.884 30 20 CHED C#CCCCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 191895144 SQZYFWIAXVOBJF-UHFFFAOYSA-N 292.382 3.587 30 20 CHED C#CCCCC(=O)N1CCSc2ccc(Cl)cc21 192161653 SRROZAUKUVQPOM-UHFFFAOYSA-N 279.792 3.582 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)c(F)c2)c(C)o1 192181364 UWNKUJRIJNIURK-LLVKDONJSA-N 272.323 3.758 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)CCc2ccc(C#N)cc2)C1 193288750 YHGSTRCYQHGSMD-PBHICJAKSA-N 284.403 3.528 30 20 CHED Cc1csc(C(=O)NCc2ccc(C#N)cc2)c1Cl 235962244 WKXDMBREPHKKHO-UHFFFAOYSA-N 290.775 3.512 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1 247752305 UCASPMFXMLPGRW-SFHVURJKSA-N 290.366 3.811 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 251654065 SZGUFRZBPGUISZ-MBGYTDRXSA-N 284.403 3.503 30 20 CHED C=CCC1(CNCc2cccc(C(=O)O)c2)CCCC1 263424276 PWUYOFGJSGHKPK-UHFFFAOYSA-N 273.376 3.611 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)NCCCCC#N)c(C)c1 264147106 PPRCCSHRMIJOQL-HNNXBMFYSA-N 287.407 3.700 30 20 CHED CC(C)n1ccnc1SCc1ccc(OCC#N)cc1 264594162 AWEVYVKHNNWJAO-UHFFFAOYSA-N 287.388 3.659 30 20 CHED Cc1cc2cc(C(=O)N[C@@H](C#N)C(C)(C)C)oc2cc1C 268031631 VFNLUJIVZVKCSJ-HNNXBMFYSA-N 284.359 3.718 30 20 CHED CCC(CC)n1ccc(C(=O)Nc2ccc(CC#N)cc2)n1 269257110 GOTVZSRRGAERED-UHFFFAOYSA-N 296.374 3.563 30 20 CHED C=C(C)[C@H](CC(=O)N1CCc2sccc2[C@H]1C)OCC 270163000 ZHSZXMZSGIJPDO-OCCSQVGLSA-N 293.432 3.565 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 274217195 OVFSZDPYSHLOKV-KEYYUXOJSA-N 299.418 3.501 30 20 CHED C#CCC1(C(=O)Nc2cccc(OCC#N)c2)CCCCC1 276206230 AHBGJYBCCGIYMS-UHFFFAOYSA-N 296.370 3.501 30 20 CHED C=CCCN(C)Cc1csc(C2CCCC2)n1 276476500 SICKDZAFKFMGTG-UHFFFAOYSA-N 250.411 3.809 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(C)no1 279357722 QTTGYEKUZTXPHG-UHFFFAOYSA-N 256.349 3.561 30 20 CHED C=CCCCCNC(=O)c1c(F)cccc1SC 281359971 NETTVJRDUGWCNA-UHFFFAOYSA-N 267.369 3.634 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC3(CCCCC3)C2)cc1 281393362 ZCMFGVAGTIPJAX-UHFFFAOYSA-N 296.414 3.894 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1occc1C(C)C 283968622 OKEPECYSPRKNLA-UHFFFAOYSA-N 268.316 3.835 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1c(F)cncc1F 285777312 SJTPJDBGXGWLDX-MNOVXSKESA-N 287.313 3.643 30 20 CHED CC[C@H](Nc1ccnc(C#N)c1)c1ccc(OC)c(OC)c1 286299764 JKGQOVWRGUGDPP-HNNXBMFYSA-N 297.358 3.534 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)CCCSCC#N 289463276 QIFVMJGVEFNHFB-MRXNPFEDSA-N 292.448 3.725 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)CCOCc1ccccc1 292433049 LVXCTULHJUKUMZ-HNNXBMFYSA-N 289.419 3.700 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](c1ccccc1)C(F)F 293717195 BPPOLUCODTVYLA-AWEZNQCLSA-N 279.330 3.877 30 20 CHED Cc1sccc1/C=C/C(=O)c1cnn(C(C)C)c1 295919199 MUARMUMSDULMBU-SNAWJCMRSA-N 260.362 3.730 30 20 CHED C=CC(C)(C)c1nc(-c2cc(OC3CCC3)ccn2)no1 296956943 QXQPSJJMERIPCV-UHFFFAOYSA-N 285.347 3.527 30 20 CHED C[C@H](C(=O)N1CCCc2cc(C#N)ccc21)c1cccs1 297903268 WUDHHULHUISWDQ-LBPRGKRZSA-N 296.395 3.703 30 20 CHED C=C(C)[C@H](N[C@@H](C)CCC#N)c1ccc(F)c(F)c1 299193940 DGHYPYQTQAWQQJ-NHYWBVRUSA-N 264.319 3.864 30 20 CHED CCC[C@H](Cc1ccccc1)Nc1ccc(C#N)cn1 301162785 PVZCXODHWRWEGS-MRXNPFEDSA-N 265.360 3.777 30 20 CHED C[C@](O)(CNc1ccc(Cl)cc1C#N)c1cccs1 301341099 GGIJJIKKNKDRAT-AWEZNQCLSA-N 292.791 3.593 30 20 CHED CC[C@H](C)[C@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301750533 IHWFCGRNQQKOLU-QWRGUYRKSA-N 298.346 3.861 30 20 CHED N#Cc1ccc(NCC2(c3ccc(Cl)cc3)CCC2)nn1 301956694 FTHZGCQXCIIGLT-UHFFFAOYSA-N 298.777 3.535 30 20 CHED C[C@@H]1CN(c2cccc(F)c2C#N)[C@@H]2CCCC[C@H]12 302177107 NCDKAICTPSMELO-LALPHHSUSA-N 258.340 3.712 30 20 CHED N#Cc1ccc(N[C@H]2CCOc3c(F)cccc32)c(F)c1 302676611 QEIQEUATPZPNAR-AWEZNQCLSA-N 286.281 3.772 30 20 CHED Cc1ccccc1O[C@@H](C)CNc1c(C#N)cccc1C#N 302903339 UMZKJCVBYMDSAD-AWEZNQCLSA-N 291.354 3.618 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](CCC(C)C)C(C)(C)C 303637613 QCENOBISFMLCDL-LSDHHAIUSA-N 283.456 3.935 30 20 CHED Cc1ccc(C/N=C(\N)Nc2ccc(OC(C)C)cc2)cc1 303709595 NVXDWDSDFYNOSK-UHFFFAOYSA-N 297.402 3.709 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H](C)C1 303838474 HYSTWPKWTAQRTD-ZBFHGGJFSA-N 287.378 3.614 30 20 CHED C#CCCCNC(C)(C)c1ccc(Br)cc1 309715052 YKTMSVOCRXJAGB-UHFFFAOYSA-N 280.209 3.687 30 20 CHED Cc1cc(CN[C@H]2CCC[C@@H]2C#N)sc1Br 309857951 LJHZNYAXCLHNSM-KOLCDFICSA-N 299.237 3.601 30 20 CHED Cc1nc(Cl)cc(Oc2cc(Cl)ccc2C#N)n1 311134818 KFGWVOBJNICNKK-UHFFFAOYSA-N 280.114 3.756 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(OC)cc1OC 311562754 AAVFDSWAHYVMOO-ZDUSSCGKSA-N 263.381 3.711 30 20 CHED CC(C)(C)CCCNc1ccc(C#N)c([N+](=O)[O-])c1 313477043 XHOOWHJGUUDTQK-UHFFFAOYSA-N 261.325 3.705 30 20 CHED C[C@@H]1CCC[C@H]1NC(O)=Nc1ccc2ccoc2c1 328642747 FAQMLHBRRBCKGP-ZWNOBZJWSA-N 258.321 3.757 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cccc3cccnc23)CCC1=O 328928059 XOORTZZKINYXEP-DGCLKSJQSA-N 282.343 3.828 30 20 CHED Cc1nsc(NC2CC2)c1/C(O)=N/[C@H]1CCC(C)(C)C1 329051573 WOBJZVRKUDOWMA-NSHDSACASA-N 293.436 3.909 30 20 CHED CCCc1cnc(N=C(O)[C@H]2CCc3cccnc32)s1 329180453 DKYKOUXZTWVFFK-LBPRGKRZSA-N 287.388 3.809 30 20 CHED O/C(=N/CC1CCCC1)N[C@H]1CCOC2(CCCCC2)C1 330122842 AJULIASQMDEGEN-HNNXBMFYSA-N 294.439 3.562 30 20 CHED CC[C@H]1CC[C@@H](C(O)=Nc2c(-c3ccccc3)n[nH]c2C)O1 330191731 XGUQETXIKAGPIX-KBPBESRZSA-N 299.374 3.931 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccnc1 336083084 HDLUFFVQAOIVCF-GOSISDBHSA-N 277.371 3.511 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(-n2nc(C)cc2C)cc1 337101378 WBTVASNCDSLPJS-INIZCTEOSA-N 297.402 3.574 30 20 CHED N#Cc1cccc(CN2C[C@H]3CC[C@H]2c2ccccc23)c1 338588987 OXMVXFOYXKCNET-APWZRJJASA-N 274.367 3.993 30 20 CHED C=CCN(C(=O)C[C@H](OCC)C(=C)C)c1ccccc1 339607301 RNJINQMSRVGZCH-INIZCTEOSA-N 273.376 3.577 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1cc(C#N)ccn1)CCC2 340957990 BUSXGEOVLRHCHQ-INIZCTEOSA-N 263.344 3.751 30 20 CHED C=CCCN(C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 342730420 KRFHDKSWGGEVLW-UHFFFAOYSA-N 299.393 3.508 30 20 CHED COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C#N)c1 343182024 BSLICJYNHDSCMB-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED C=CC[C@H](CC)NC(=O)c1c[nH]cc1-c1ccccc1 343773770 RDSMJGKVNJTHEI-AWEZNQCLSA-N 268.360 3.766 30 20 CHED Cc1cc([C@@H](C)NC(=O)NCC(C)(C)CCC#N)c(C)o1 352339650 HAQIWFXWXPIVFD-GFCCVEGCSA-N 291.395 3.587 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc(F)c1 353417362 UMKSDAZMKZCOKZ-UHFFFAOYSA-N 262.372 3.978 30 20 CHED CC(C)CN(C(=O)C[C@H](CC#N)c1ccccc1)C1CC1 354321112 WMHMHLCARNTMTN-INIZCTEOSA-N 284.403 3.721 30 20 CHED C=CCOCCCSCc1nc(C)c(C)s1 359098691 FAMWAKFAXJHJPT-UHFFFAOYSA-N 257.424 3.586 30 20 CHED C=Cc1ccc(CCNc2nc(C)ccc2C#N)cc1 359965624 CSRDHKLBMFQCBY-UHFFFAOYSA-N 263.344 3.559 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)CCCC#N)CC2 360646443 LHDBEAGPKQYECJ-MRXNPFEDSA-N 270.376 3.607 30 20 CHED C=CCCCC(=O)Nc1cc(-c2ncc[nH]2)ccc1C 366548699 TUWRAAUZUWXOIA-UHFFFAOYSA-N 269.348 3.680 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CCC(C2CC2)CC1 368044671 LTDDZSSGTVGUJZ-UHFFFAOYSA-N 295.308 3.598 30 20 CHED C#C[C@](C)(CC)NCc1nc(-c2ccccc2)cs1 384141062 FXPRFAXLDTXHTF-MRXNPFEDSA-N 270.401 3.702 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@]2(C)CC=CCC2)cc1 410867486 ZSVMMVJPYPCSBL-SJLPKXTDSA-N 282.387 3.676 30 20 CHED C[C@H](CCC#N)N1CCCc2c([nH]c3c(F)cccc23)C1 411673591 LAJOCEQTRJSXAW-GFCCVEGCSA-N 285.366 3.747 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 412800100 AUYCLCCUTDSTQO-SJORKVTESA-N 298.430 3.822 30 20 CHED N#CCCSCc1coc(-c2cccs2)n1 413012083 KYKQCUGZOULJHT-UHFFFAOYSA-N 250.348 3.550 30 20 CHED N#CCCSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 413468728 IULAENYOPPTLIP-UHFFFAOYSA-N 276.239 3.619 30 20 CHED CC[C@H](N[C@H]1C[C@@H](OC)C12CCC2)c1ccc(C#N)cc1 414186061 OVZCUETUHYONRN-YESZJQIVSA-N 284.403 3.557 30 20 CHED C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC1(C#N)CCC1 418143527 PZVGSJFVQSOSKZ-LBPRGKRZSA-N 296.336 3.920 30 20 CHED COC(=O)c1cc([C@@H](C)SCC2(C#N)CCC2)oc1C 419499432 YDBYKHQCCNAWEN-LLVKDONJSA-N 293.388 3.863 30 20 CHED CC(C)(C#N)CCNc1ccc2c(c1)C(=O)CCCC2 421196737 QIKZIFRDMKZSAI-UHFFFAOYSA-N 270.376 3.947 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](SCC)C1 424708251 RIUGKRIBTRSPHT-CHWSQXEVSA-N 269.454 3.769 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnn(CCC(C)C)c1C 424744830 YSEQSNQVIJDGCS-UHFFFAOYSA-N 277.412 3.778 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccccc1OC(F)F 424785851 CECWMXFSFRIGLE-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 424842642 UILSLRAMOWWUPX-UONOGXRCSA-N 277.795 3.914 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccsc1 425125537 GPVFEAPVSOWTRB-QWHCGFSZSA-N 298.411 3.943 30 20 CHED C[C@H]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C1 429594446 XQBLSLMNWUXGBQ-XHDPSFHLSA-N 262.784 3.832 30 20 CHED C=CCC[C@H](NC(=O)NCC1(CC#N)CC1)c1ccccc1 430902515 YNTAYJMGHDOCHK-INIZCTEOSA-N 297.402 3.687 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCCC2(CCC2)C1 432592019 HSRQCESVEHRFKF-UHFFFAOYSA-N 264.413 3.564 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(F)c(Cl)c1Cl 432746365 ZUELZOKELQRSCL-QMMMGPOBSA-N 275.154 3.724 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCc2ccc(Cl)cc21 435674130 PUAMKNDVHNOEPT-XYPHTWIQSA-N 291.822 3.898 30 20 CHED CC1(C)CCCN(C(=O)C2C[C@H]3CCC[C@H](C2)C3)[C@H]1C#N 435971206 KWRBTNRAPVBNOA-DZKIICNBSA-N 288.435 3.744 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)C1 436025063 GTRBUIYOYMLGET-LDDOYCOJSA-N 288.435 3.791 30 20 CHED N#CCn1c(/C=C/c2ccc(O)c(F)c2)nc2ccccc21 436932269 MWVXTWGXGUHYEX-SOFGYWHQSA-N 293.301 3.575 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCC1CCCCC1 437493384 FJRRBYGFUUCNDE-WMZOPIPTSA-N 293.451 3.834 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccc(-c3ccco3)cc2F)C1 442864164 YZFBTJXHGZTQIG-IUODEOHRSA-N 284.334 3.868 30 20 CHED C[C@@H]1CCN(Cc2ccc(F)cc2C#N)C[C@H](C)C1 443648851 GRWATGVUJSCYLM-CHWSQXEVSA-N 260.356 3.565 30 20 CHED N#C[C@]1(C(=O)NCCCC2CCCCC2)CC12CCCC2 448688374 BQGMKEDSJAVKIL-SFHVURJKSA-N 288.435 3.937 30 20 CHED C=CC[C@@H](C)N[C@H]1CCc2cc(F)c(F)c(F)c21 449148383 KDYOKXCYSBKJGK-KCJUWKMLSA-N 255.283 3.645 30 20 CHED C=CCCCC[C@H](C)NCc1nnc(C(C)C)s1 449185066 FTQXPKYHLKHTPW-LBPRGKRZSA-N 267.442 3.886 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc(SC)c(F)c1 449697057 JVTBBRRPUSJSCG-AAEUAGOBSA-N 283.412 3.525 30 20 CHED C=C(CC)CN[C@H](C)CC(=O)Nc1ccc(C)cc1C 449733105 GHGWDTFEDUCKTH-OAHLLOKOSA-N 274.408 3.576 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NCC(C)(C)CCCc1ccccc1 449862545 ACUJDUAEWKTJNN-DNVCBOLYSA-N 298.430 3.701 30 20 CHED N#CC1(CN[C@H]2CCC[C@@H]2c2ccc(F)cc2)CCC1 450737794 KTVGNRWIZXELOI-CVEARBPZSA-N 272.367 3.745 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)Oc1cccc2ccccc12 452717275 KRSHMAWGFSQJMZ-CQSZACIVSA-N 283.371 3.690 30 20 CHED Cc1nc(C(C)C)ccc1CNc1cccc(C#N)c1 453058156 KCENDNRUIHDVQH-UHFFFAOYSA-N 265.360 3.997 30 20 CHED C=CCCc1noc(COc2cccc(C(C)C)c2)n1 453247001 MQJARQONYRBXLJ-UHFFFAOYSA-N 272.348 3.891 30 20 CHED C=CCC[C@H](CCC)N1CCC[C@]2(CCOC2)C1 453361649 KVXARWUOLKPXOG-HOTGVXAUSA-N 251.414 3.624 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(Cl)c1Cl 453373998 WNHWJQMBMKMVQW-WQAKAFBOSA-N 286.202 3.988 30 20 CHED C=CCOc1cccc(CNC[C@@H]2CCOC(C)(C)C2)c1 453579293 JOXJXXRGAPTUDH-MRXNPFEDSA-N 289.419 3.546 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CCSc2c(F)cccc21 454340544 PYINAOGFKAYLII-CYBMUJFWSA-N 294.395 3.628 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CCc2c(Cl)cccc21 454388646 OQIQWFMVAAJNDH-CQSZACIVSA-N 278.783 3.593 30 20 CHED C[C@H]1CC=C(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 454573121 WFNBSGFLQGEDHP-AWEZNQCLSA-N 294.398 3.796 30 20 CHED C=CCCCCNC(=O)Nc1scnc1C(C)C 455837850 AHHXBBQWCXQUBW-UHFFFAOYSA-N 267.398 3.744 30 20 CHED Cc1ccc([C@@H](NC(=O)NCC(C)(C)CC#N)C2CC2)cc1 457579108 SKLVAADVQYGOET-MRXNPFEDSA-N 299.418 3.685 30 20 CHED CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CCC1 457836522 XSRXJPNZRQAPET-SUMWQHHRSA-N 299.418 3.887 30 20 CHED C=C(C)CCNC(=O)N1CCCCC[C@@H]1c1ccco1 458998040 JXXZQWZSLYCVRV-CQSZACIVSA-N 276.380 3.873 30 20 CHED C[C@H](C(=O)N[C@H](C)c1ccccc1)c1cccc(C#N)c1 461762584 DXAKVQCRQUVQCT-UONOGXRCSA-N 278.355 3.539 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 461898524 BJXWQRKCEIWIOH-IUODEOHRSA-N 270.376 3.862 30 20 CHED CCc1ccccc1CNC(=O)[C@H](C)c1cccc(C#N)c1 462137190 AUVZOIGWJWAGBD-CQSZACIVSA-N 292.382 3.541 30 20 CHED CCCC1(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CCC1 462202931 IZZRJAUKESYNBN-AWEZNQCLSA-N 284.403 3.748 30 20 CHED N#Cc1cccc(OCCNc2ccc(F)cc2Cl)c1 462204974 BYLHBODHMNCPEN-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CC#CCCN1CCc2cc(-c3ccccc3)oc2C1 462331470 CLBMOUMBIGBVCG-UHFFFAOYSA-N 265.356 3.718 30 20 CHED CC(C)N(C(=O)[C@@H](C)c1cccc(C#N)c1)C1CCCC1 463383341 XJGUOMQHGDZDSF-AWEZNQCLSA-N 284.403 3.841 30 20 CHED CC#CCCCC(=O)N1CCCCCc2ccccc21 466860900 IEIVKSSSMIGCRD-UHFFFAOYSA-N 269.388 3.940 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2cc(F)ccc2C#N)C1 469061362 VBIHLVIRUJQLCF-MRXNPFEDSA-N 294.373 3.995 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H]1CC[C@H](C)O1 470913857 SSPASNZACPCYHE-DOTOQJQBSA-N 259.393 3.632 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 471675388 DBQPRBYAZIHSLO-CYBMUJFWSA-N 293.432 3.648 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 471713564 NHKZIVSBGTVIAL-RYUDHWBXSA-N 279.330 3.541 30 20 CHED C=CCn1c(SC[C@@H]2CC[C@@H](C)O2)nc2ccccc21 473402946 SOHYDOPMAIEHAQ-OLZOCXBDSA-N 288.416 3.882 30 20 CHED C=C(C)CN(C)C(=O)CSc1ccc(C(C)C)cc1 479224766 YQLZCDBCNFHODC-UHFFFAOYSA-N 277.433 3.937 30 20 CHED C=CCN(CC=C)C(=O)CS[C@@H](C)c1ccccc1C 480393746 MMOMOMQUUUVVKO-HNNXBMFYSA-N 289.444 3.990 30 20 CHED Cc1cc(CN(CC(C)C)CC(F)(F)F)ccc1C#N 487907987 FAEXQRHAZSRRHT-UHFFFAOYSA-N 284.325 3.887 30 20 CHED C=C(C)CNC(=O)c1ccc(OCCC)c(OCCC)c1 490035830 DCVTVFRYYQVDSZ-UHFFFAOYSA-N 291.391 3.570 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)NCC(C)(C)CCC#N)C1 494630968 HSXFMSUUKCKULX-LSDHHAIUSA-N 293.455 3.830 30 20 CHED CC#CCCNC(=O)c1sccc1-c1ccccc1 498607549 RTCUWXQSJDFDMG-UHFFFAOYSA-N 269.369 3.558 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 503542909 DATDOWVDEZCJQB-CKEIUWERSA-N 278.440 3.809 30 20 CHED CC(C)CCC[C@H](C)NC(=O)Cc1c(F)cccc1C#N 505108656 LPCNYHLYTLRYAN-ZDUSSCGKSA-N 290.382 3.571 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)C(C)(C)C 505706438 NWCAWZHOEZASGR-GXFFZTMASA-N 278.783 3.703 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCC[C@@H](OC)C2)CCCC1(C)C 508071384 AFEPAWYEIWYSFQ-OAGGEKHMSA-N 293.451 3.785 30 20 CHED C=C(C)CCc1noc(CCc2ccc(F)cc2)n1 508644127 TWOFMOCFDSHDJD-UHFFFAOYSA-N 260.312 3.503 30 20 CHED C=CCN(Cc1cccs1)C(=O)N(C)C1CCCC1 509413702 FKFACZJYGXDHIN-UHFFFAOYSA-N 278.421 3.731 30 20 CHED N#Cc1csc(C(=O)NCc2ccc(C3CCC3)cc2)c1 517067000 MCEPQIJBRFGAEK-UHFFFAOYSA-N 296.395 3.817 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc2c1CCCC2 517898682 QBKAMQBLRZXVHI-UHFFFAOYSA-N 272.392 3.995 30 20 CHED C=CCCC(=O)Nc1ncc(Cc2ccccc2F)s1 522576406 LHIIFWBVYQQMBI-UHFFFAOYSA-N 290.363 3.778 30 20 CHED CC(C)N(CCC#N)C(=O)CCc1cc2ccccc2o1 522588355 ILAGEMLRKGRRTJ-UHFFFAOYSA-N 284.359 3.516 30 20 CHED C=CCn1cc(CN[C@H](C)c2ccc([C@@H](C)CC)cc2)nn1 527908620 GEALSHFTDBIOCZ-LSDHHAIUSA-N 298.434 3.828 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1Cc1cccc(OC)c1 530882775 OAPBJMLTQUZSFU-MRXNPFEDSA-N 287.403 3.585 30 20 CHED C=CCCS[C@H]1CCN(c2cccc(Cl)c2)C1=O 531171472 YEIPBYIRYQZUAX-ZDUSSCGKSA-N 281.808 3.755 30 20 CHED CC[C@H](CC(=O)Nc1cc(CC#N)ccn1)c1ccccc1 532433635 KRMIUYCAXIAUJB-OAHLLOKOSA-N 293.370 3.670 30 20 CHED C=C(C)[C@H](CC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)OCC 535134275 RSMPYNFIBRNJPH-FPCVCCKLSA-N 279.424 3.537 30 20 CHED C=CCNC(=O)[C@H](Cc1c(C)cc(C)cc1C)C(F)(F)F 535963790 MZYSQBLLJIEQLJ-AWEZNQCLSA-N 299.336 3.635 30 20 CHED C=CCOc1cccc(CNC2CCC(F)(F)CC2)c1 536422193 WQFKCFOWZIUAAY-UHFFFAOYSA-N 281.346 3.919 30 20 CHED C=C(CC)Cn1c(-c2ccccc2C)csc1=O 540194631 YFJKOKZSDAKVBW-UHFFFAOYSA-N 259.374 3.851 30 20 CHED CC(C)(C)[C@@H](NCc1cccc(C#N)c1)C(F)(F)F 542775770 YQFSQVWQRPOKGQ-GFCCVEGCSA-N 270.298 3.625 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@@](C)(C#N)CCc2ccccc2)C1 542896560 VZIAVXXYJCJDBJ-QFBILLFUSA-N 298.430 3.844 30 20 CHED Cc1ccc(CCCCC(=O)N2CCC(CC#N)CC2)cc1 542908584 OTZYMMDIMQCHEX-UHFFFAOYSA-N 298.430 3.860 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1ccc(F)cc1F 543236667 VZQXUAVQJSNXHK-ZYHUDNBSSA-N 282.334 3.680 30 20 CHED CS[C@H](CN=c1c(C#N)c[nH]c2ccccc12)C(C)(C)C 544063165 RYDGMLXKBUKOPV-OAHLLOKOSA-N 299.443 3.718 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C 544796771 VTTNVRFQNGPEEH-LLVKDONJSA-N 290.794 3.720 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](CC1CCCC1)C(C)C 546571804 XSDAIMODODAHPN-GJZGRUSLSA-N 264.413 3.647 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2cc[nH]c12 548476122 UNONQYTVNWZXOC-UHFFFAOYSA-N 254.333 3.875 30 20 CHED C=CCCCCCN(C)c1nnc(-c2cccnc2)n1CC 549374553 RTDFPOVNPMLIRF-UHFFFAOYSA-N 299.422 3.543 30 20 CHED CC1(C)CCCN(Cc2cccc(F)c2Cl)[C@@H]1C#N 549614078 XEDLMSIIXABJCU-CYBMUJFWSA-N 280.774 3.993 30 20 CHED Cc1nsc(N2C[C@H](c3ccccc3)C[C@H]2C)c1C#N 553103162 CDERQIPXKSOXQQ-BXUZGUMPSA-N 283.400 3.706 30 20 CHED CC(C)(CC(=O)N[C@@H](C#N)c1ccccc1Cl)C1CC1 556138986 PPWPPOYAIUEXSO-AWEZNQCLSA-N 290.794 3.847 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](CC)Oc1ccccc1F 556510232 CGXRBPUIYIQFTC-CYBMUJFWSA-N 293.382 3.702 30 20 CHED CC[C@](C)(C#N)C(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 557019588 KJKUBMZHECIKHX-GRDNDAEWSA-N 278.440 3.895 30 20 CHED C=CCCOc1c(C(=O)OC)ccc2ccccc12 559155065 RHCHCRCJMLBDFP-UHFFFAOYSA-N 256.301 3.581 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc3c(c2)COC3)n1 560025021 PGDJFHCJRCMHJM-UHFFFAOYSA-N 284.359 3.544 30 20 CHED N#Cc1nccnc1N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 563320495 PRIARPSXNAYRLU-JSGCOSHPSA-N 298.777 3.750 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](Cc1ccccc1C)C1CC1 563683620 WPYGSHUXOAFJQS-AQNXPRMDSA-N 299.458 3.887 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCCC1(C)C 564378725 RBYIQJUYJQJLEB-UHFFFAOYSA-N 274.412 3.501 30 20 CHED C=CCC1(C(=O)N2CCC(OC(C)C)CC2)CCCCC1 567439671 RORGAIZUUUSVNF-UHFFFAOYSA-N 293.451 3.929 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1c(F)cc(C#N)cc1F)CO2 571132356 BAUGBHJGZJSVPU-CQSZACIVSA-N 286.281 3.691 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 575011407 LPNDYRSZFXWAAG-KLICCBINSA-N 296.414 3.626 30 20 CHED C=CCCCCN[C@H](c1ncc[nH]1)C1CCCCC1 576366643 DSPJZUWMZWEZQN-HNNXBMFYSA-N 261.413 3.977 30 20 CHED Cc1csc(NC(=O)N2C[C@H]3CCC[C@@H](C3)C2)c1C#N 581377406 BSVWFVPTVMZXAQ-RYUDHWBXSA-N 289.404 3.582 30 20 CHED Cn1ncc(NC2CCC(C)(C#N)CC2)c1-c1ccccc1 582586824 XOCULMBKYAVKIS-UHFFFAOYSA-N 294.402 3.971 30 20 CHED C[C@@H](N=c1ccc(C#N)c[nH]1)c1ccc(F)c2ccccc12 583833958 LNDMOOGVMBMMNH-GFCCVEGCSA-N 291.329 3.841 30 20 CHED N#CCCCCCC(=O)Nc1ccc2ccccc2n1 588254049 ZIKRQPRWPOBNLN-UHFFFAOYSA-N 267.332 3.647 30 20 CHED CC(C)CC[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 589336651 BGGSBLNHYRRJHJ-SUMWQHHRSA-N 256.393 3.960 30 20 CHED C[C@H]1C[C@@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[C@H]1C 590748473 AUVRFPIOKHFAJB-IHHFWDAISA-N 296.414 3.734 30 20 CHED N#CC1(CCN2CC[C@@H](c3ccco3)C2)CCCCC1 591014280 YCMRRSZYDRMOTO-OAHLLOKOSA-N 272.392 3.933 30 20 CHED C=CCOCC(=O)N(C(C)C)C1CCC(CCC)CC1 591670215 BIZUFTFIWXHDEM-UHFFFAOYSA-N 281.440 3.785 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N[C@H](C#N)CC(C)C 591759408 MPCQXEJYYFUYJY-RDJZCZTQSA-N 286.419 3.618 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1nc2c(s1)CCC2 591839078 CCNVGEWSFWFZFN-GFCCVEGCSA-N 297.427 3.696 30 20 CHED CC[C@@H]1CCCN1Cc1ccc(-c2cncc(C#N)c2)cc1 592986851 MDDSJPAWRHPXBA-LJQANCHMSA-N 291.398 3.995 30 20 CHED C=CCC1(CNC(=O)CC2(CSC)CC2)CCCC1 593169302 RSRMJRJJKJUPSI-UHFFFAOYSA-N 281.465 3.772 30 20 CHED CCCCN(C(=O)[C@H](C#N)CC)[C@H]1CCC[C@@H](C)C1 593732834 SDCJUELNQACWJC-ILXRZTDVSA-N 264.413 3.744 30 20 CHED Cc1csc(NC(=O)NCC2=CCCCC2)c1C#N 594102923 GGKDCPFSURWPJL-UHFFFAOYSA-N 275.377 3.550 30 20 CHED CCC(CC)CN(CCC#N)C(=O)N1CCCC[C@H]1C 594448479 KSHYWDMNNXALOK-CQSZACIVSA-N 279.428 3.633 30 20 CHED N#Cc1cccc(SCc2cc(C3CC3)no2)c1 594890958 RREVSGXJWBVIPZ-UHFFFAOYSA-N 256.330 3.716 30 20 CHED C[C@H](CCc1ccccc1F)NCCc1ccc(C#N)cc1 595056757 VUNUNYNMZBWLTO-OAHLLOKOSA-N 296.389 3.851 30 20 CHED CCN(Cc1cccs1)[C@H](C#N)c1ccccc1 595288576 OAPPQFQAPPWZLW-OAHLLOKOSA-N 256.374 3.835 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H]([C@@H]2CCCCO2)C1 595787024 FMHAKGWJHPPQAE-HOTGVXAUSA-N 278.440 3.597 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 596581424 ONHHUWAXJCKXHS-INIZCTEOSA-N 297.402 3.590 30 20 CHED C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](CC#N)C1 597178187 WFPFXTDGHVMCCT-LTBFUDJGSA-N 299.374 3.624 30 20 CHED CC(C)[C@H]1N(C[C@H](O)CC(C)(C)C#N)CC12CCCCC2 598706693 UDPXZUZEIMBRPQ-HZPDHXFCSA-N 292.467 3.578 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(CC#N)cc2)c1 598975982 SJRIFTFNABCONM-ZWKOTPCHSA-N 290.366 3.803 30 20 CHED CCC(C#N)(CC)C(=O)NCCCc1ccc(C)cc1C 598978520 FKTCGFWPAYTAQJ-UHFFFAOYSA-N 286.419 3.682 30 20 CHED C[C@@H](CC#N)NCc1csc(C2CCCCC2)n1 602864353 SBOIAFGYUCQYOA-NSHDSACASA-N 263.410 3.583 30 20 CHED C[C@H](CCC#N)N1CCc2ccc(C(F)(F)F)cc2C1 602928693 OQPXFUBQCAPSTQ-LLVKDONJSA-N 282.309 3.756 30 20 CHED CN(C[C@H]1CC=CCC1)C(=O)Nc1cc(F)cc(C#N)c1 603077655 XYWCSTMGPUSARK-LBPRGKRZSA-N 287.338 3.517 30 20 CHED N#Cc1ccc(/C=C\c2cc(Cl)c3c(c2)OCO3)nc1 603894078 REWDWIHCMRUPNB-IWQZZHSRSA-N 284.702 3.506 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1CCC 604898345 RJMHJGOVVGVHED-IHRRRGAJSA-N 252.402 3.609 30 20 CHED Cc1cn(CC(=O)Nc2ccccc2C(C)(C)C)cc1C#N 610915347 ZHCFLMIZYBTXFO-UHFFFAOYSA-N 295.386 3.604 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C(C)(C)c1ccc(Cl)cc1 611250404 CTQOJWDVINVAGK-CQSZACIVSA-N 292.810 3.672 30 20 CHED C[C@]1(C#N)CCCN(Cc2csc(C3CCCC3)n2)C1 612162593 LFEAYQORAUWBGV-MRXNPFEDSA-N 289.448 3.926 30 20 CHED Cc1cccc([C@@H](C)NC(=O)N2CCC[C@@](C)(C#N)C2)c1C 612372268 NIKZPNJYQSKEDD-QAPCUYQASA-N 299.418 3.700 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H](CCc2ccccc2)C(F)F)C1 613666821 BAIASMWWXSFIOC-ILXRZTDVSA-N 278.346 3.535 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)N1CCC[C@](C)(C#N)C1 614943455 DPXBWINYWROXJJ-QGZVFWFLSA-N 296.374 3.634 30 20 CHED Cc1cc2ccc(C(=O)N(CCC#N)CCC(C)C)cn2c1 619877420 VXXMUKAEIQBVHI-UHFFFAOYSA-N 297.402 3.650 30 20 CHED C=CCC1(c2nc([C@H](C)c3ccco3)no2)CCC1 621795706 OJJAWNBOXHNMFS-LLVKDONJSA-N 258.321 3.812 30 20 CHED C=CC1CCN(C(=O)[C@H](CCCC)C(C)C)CC1 621864121 SXLWLLNOGHBUTH-OAHLLOKOSA-N 251.414 3.873 30 20 CHED C=CCN(C(=O)c1csc(-c2ccoc2)n1)C(C)(C)C 622944383 PTLKKASCVUHQCL-UHFFFAOYSA-N 290.388 3.830 30 20 CHED C=C(CNCc1c(C)nc2sc(C)cn12)c1ccccc1 623448884 QPBWHJCLWQHHOD-UHFFFAOYSA-N 297.427 3.816 30 20 CHED CC#CCCCC(=O)Nc1ccccc1NC1CCC1 652789718 ZQNZGEZDOWTZHX-UHFFFAOYSA-N 270.376 3.783 30 20 CHED C=CCC[C@@H](N[C@H]1CCOc2c(OC)cccc21)C1CC1 655850243 GOLHBFCGEMLIAV-CVEARBPZSA-N 287.403 3.853 30 20 CHED C=CCC(CC=C)C(=O)N(CC)CCC(F)(F)F 675153071 DRCLIPAWGGQFTH-UHFFFAOYSA-N 263.303 3.556 30 20 CHED CCC#C[C@@H](C)N1CCC[C@H](c2nc3ccccc3o2)C1 677480510 YOMGFXOELRGQKS-CABCVRRESA-N 282.387 3.809 30 20 CHED C=CCN(C)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 681674178 CQBDXYLUWWOJFA-VIFPVBQESA-N 272.175 3.741 30 20 CHED C=C(C)CN(Cc1ccccc1)c1cc2c(nn1)CCC2 684592368 IPBHGTNRYIRJME-UHFFFAOYSA-N 279.387 3.548 30 20 CHED N#Cc1ccc(NCc2nc3c(s2)CCC3)c(Cl)c1 719535704 AQHQPWRVHQJSLE-UHFFFAOYSA-N 289.791 3.769 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@H]2CCCC[C@@H]2C)c1 726455629 QEGNODOFEKFKRL-BBRMVZONSA-N 286.444 3.875 30 20 CHED Cc1cc(C)c(/C=C/C(=O)N[C@@H](C#N)CC(C)C)cc1C 726560500 ZPTKEXDVJHTMAQ-DKRLNXSXSA-N 284.403 3.680 30 20 CHED C=CCN(C(=O)Nc1cccc(COCC)c1)C(C)C 726698469 VEMKGNYHSQIFQL-UHFFFAOYSA-N 276.380 3.651 30 20 CHED C#CCCCOC(=O)CCCc1ccc(Cl)cc1 727040729 GRWPJWXWBBICSN-UHFFFAOYSA-N 264.752 3.619 30 20 CHED COc1ccccc1/C(C)=C\C(=O)Nc1ccc(C#N)cc1 727293503 QDXMVFFAVUXNSD-QBFSEMIESA-N 292.338 3.609 30 20 CHED CC(C)(C)CCOC(=O)CSc1ccc(C#N)cc1 728675520 JWRXXDSGHOEVJB-UHFFFAOYSA-N 277.389 3.630 30 20 CHED CCC/C=C\C(=O)N(CCC#N)c1ccc(C)cc1 729347934 SXNGVNAYONHELF-ALCCZGGFSA-N 256.349 3.598 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CCc2c(C)cccc21 729641349 GHRIKYJTNOIKAE-VXIUPONVSA-N 281.355 3.816 30 20 CHED O=C1/C(=C/c2ccnc3ccccc23)Cc2c(O)cccc21 731835810 RHUGUMRWZLDTDU-JLHYYAGUSA-N 287.318 3.763 30 20 CHED C[C@@H](CSc1ccccc1)C(=O)OCCCCC#N 732389723 AYKVTNSQSJQVME-ZDUSSCGKSA-N 277.389 3.652 30 20 CHED COc1ccc(C(C)=NNc2cc(F)c(F)cc2F)cc1 734302804 PKONSLWMMZTJRA-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C=CCCCOC(=O)Cc1cccc(C(F)(F)F)c1 735527413 GQXWOYDGKOSMFO-UHFFFAOYSA-N 272.266 3.757 30 20 CHED COc1ccc(C(C)=NNc2c(F)cccc2F)cc1F 735614793 BQHWJTGBPGAADM-UHFFFAOYSA-N 294.276 3.949 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H](C)c1cccc(C)c1 741165334 KXRTWCPFEFXRTL-ONDHQXCVSA-N 283.371 3.932 30 20 CHED Cc1ccc(CC(=NNc2ccc(F)cn2)C2CC2)cc1 741844436 YCCUUVUSYHNCCN-UHFFFAOYSA-N 283.350 3.950 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1OC)CC2 741847089 GJGWUFBXRISKHB-RVDMUPIBSA-N 294.350 3.916 30 20 CHED CCCCCCCC(=O)N1CCOC2(CCCCC2)C1 742115468 YYXBOFOAOHLMJC-UHFFFAOYSA-N 281.440 3.909 30 20 CHED C=CCCOC(=O)[C@@H](C)c1ccccc1C(F)(F)F 744049082 HZKDCUVDOFUANS-JTQLQIEISA-N 272.266 3.928 30 20 CHED CCCCCC[C@@H](C)C(=O)OCC1(CC#N)CC1 744277461 MMOUFIMMCUVXRD-CYBMUJFWSA-N 251.370 3.830 30 20 CHED CC#CCOC(=O)/C=C/c1ccc(C(C)(C)C)cc1 744641535 DAAIHJJLBHSDJF-FMIVXFBMSA-N 256.345 3.564 30 20 CHED CO[C@@H](C/N=C\c1c(O)ccc2ccccc12)C(C)C 745976851 OECPDPSRNOVERZ-PGLQMZEQSA-N 271.360 3.635 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C1C(C)(C)C1(C)C 746404313 IDLDSPVKSXVOGI-UHFFFAOYSA-N 287.359 3.545 30 20 CHED N#CCC[C@@H](/N=C/c1cccc(O)c1O)c1ccccc1 747690617 PESKXFMQLXNHGG-IYSPOMMRSA-N 280.327 3.562 30 20 CHED CC(=NNc1ccccn1)c1coc2ccccc12 747745939 CPFDXYUXANSZRA-UHFFFAOYSA-N 251.289 3.664 30 20 CHED N#Cc1ccc(C=NNc2ccc(Cl)cc2)s1 748778250 HHDYQCHXAASGLW-UHFFFAOYSA-N 261.737 3.719 30 20 CHED C#CCOC(=O)c1ccccc1Oc1ccccc1OCC 748914421 YGMCUFJPRLUPDT-UHFFFAOYSA-N 296.322 3.668 30 20 CHED O=C1/C(=C\c2ccccc2F)Cc2c(F)ccc(F)c21 749588929 GNUXHAUTQKEVNY-YFHOEESVSA-N 274.241 3.926 30 20 CHED C/C(=C/C(=O)N(CCC#N)C(C)C)c1cccc(Cl)c1 749932596 CEWSBKKCBLJDIM-RAXLEYEMSA-N 290.794 3.894 30 20 CHED C[C@H](Cc1ccccc1)OC(=O)/C=C\c1ccccc1C#N 750410958 KNDJXUBJQFBMHN-QYMJWVLRSA-N 291.350 3.746 30 20 CHED COc1ccc(NN=Cc2cccc(Cl)c2)cc1 750946615 XCHLWMSEUPYDRI-UHFFFAOYSA-N 260.724 3.795 30 20 CHED FC(F)(F)C(=NOCc1nccs1)c1ccccc1 751957321 YHTZQFZQQKWLKD-UHFFFAOYSA-N 286.278 3.626 30 20 CHED CCCNN=Cc1cc(C(F)(F)F)ccc1Cl 753695692 AVOYETWBSUPJDQ-UHFFFAOYSA-N 264.678 3.692 30 20 CHED Cc1ccc(OC(=O)c2ccc(Cl)c(C#N)c2)cc1 753993842 CDWBPHKFOJJBNE-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C#C[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 754390716 ZPBHFUGWSLXOJD-RTXFEEFZSA-N 296.197 3.625 30 20 CHED COc1cccc(NN=Cc2cccc3[nH]ccc23)c1 755609180 SAKWSNVQSAJQSI-UHFFFAOYSA-N 265.316 3.623 30 20 CHED C=CCNC(=S)NCC(C)(C)Cc1cccc(Cl)c1 756785005 ITZWTJUYCUDLAD-UHFFFAOYSA-N 296.867 3.559 30 20 CHED C#CC[C@H](NC(=O)[C@@H]1CCC[C@H](C)C1)c1ccccc1 757576301 CRUBAIXSWSCUAR-UAGQMJEPSA-N 269.388 3.694 30 20 CHED C#CC[C@H](NC(=O)c1ccc(F)cc1C)c1ccccc1 757580184 POTXQIPTOPUQIL-KRWDZBQOSA-N 281.330 3.629 30 20 CHED CN1CCCC(=NNc2ccc(Cl)c(Cl)c2)CC1 758098852 WPKWUTZRHAYRIQ-UHFFFAOYSA-N 286.206 3.877 30 20 CHED C=CCC(CC=C)C(=O)NCc1cccc(OC(C)C)c1 758423064 HKYYPSUYELUYOF-UHFFFAOYSA-N 287.403 3.858 30 20 CHED CC1(C)C(=NOCC(F)F)C[C@@H]1c1ccccc1 758906889 NJPUBTWQZVUCOP-LLVKDONJSA-N 253.292 3.838 30 20 CHED C[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)c1ccsc1 758953437 MTSGWOZMACETPD-SNVBAGLBSA-N 289.331 3.606 30 20 CHED N#Cc1c(F)ccc(/C=C/C(=O)c2cncs2)c1Cl 761477733 PDVMUAVYNONGJC-DUXPYHPUSA-N 292.722 3.703 30 20 CHED CC(C)[C@@H]1CCCCC1=NNc1cncc(Cl)n1 764685012 UZEVTQIVLUNFSY-JTQLQIEISA-N 266.776 3.744 30 20 CHED C[C@@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 767970868 KXBLTYBMYUXVMA-AWEZNQCLSA-N 294.398 3.610 30 20 CHED C=C(C)COC(=O)c1ccc(F)cc1C(F)(F)F 768094688 UNHSDOHKYHVITO-UHFFFAOYSA-N 262.202 3.577 30 20 CHED C#CCCN(C/C(C)=C\c1ccccc1)CC(F)(F)F 768533705 JXNPOGJCQVUDDA-KAMYIIQDSA-N 281.321 3.978 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)OCc1ccc(F)cc1C#N 769173942 CTYSXOUMHGDJIP-VXGBXAGGSA-N 275.323 3.567 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H](F)c1ccccc1 769312064 GQTMAKMOGTYIKH-MRXNPFEDSA-N 283.302 3.621 30 20 CHED COc1cccc(O)c1/C=N\CCCc1cccs1 769549763 VNJPGOXBBLRHKQ-WJDWOHSUSA-N 275.373 3.514 30 20 CHED CC(=NNCc1ccc(C#N)cc1)[C@H](C)c1ccccc1 769815831 PUOZPCURXUZBFG-AWEZNQCLSA-N 277.371 3.827 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1nccnc1C(C)C 773090823 KKJOVRNSTYSPCM-UHFFFAOYSA-N 293.374 3.836 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NN1CCc2ccccc2C1=O 773208820 QFUXFFGZTZZENU-RHSMWYFYSA-N 282.387 3.663 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1nc2ccccc2s1 773303230 KFEPYGLDYJTDAO-LBPRGKRZSA-N 286.400 3.667 30 20 CHED C#CCCCN[C@H](C)c1ccc(OCc2cccnc2)cc1 774974607 VWJBIFGYFNZOAJ-MRXNPFEDSA-N 294.398 3.725 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N(C)CC#N 775163146 OQBGLHDTGKWCAQ-AWEZNQCLSA-N 252.402 3.745 30 20 CHED C[C@H](OC(=O)Cc1ccccc1CC#N)c1ccccc1 776747249 REOARMRJPXKFCK-AWEZNQCLSA-N 279.339 3.600 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1c[nH]c2cc(F)ccc12 777468014 RXYYCXNTNFPWII-KTAJNNJTSA-N 284.265 3.737 30 20 CHED CC(C)C1(C)CCN(Cc2ccc(OCC#N)cc2)CC1 778219154 WRJFURMBZKNEGY-UHFFFAOYSA-N 286.419 3.847 30 20 CHED C#CCCCCCC(=O)NCc1ccc(Cl)cc1OC 779904930 DBCCLNPGDJJGHQ-UHFFFAOYSA-N 293.794 3.549 30 20 CHED COc1ccc2cc(C=NNc3ccnc(F)c3)ccc2c1 781129419 HGPJRXGEOSJUMF-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C=CCCCCCOc1ccccc1NC(=O)OC 783024412 MKPNORSCQRZDIP-UHFFFAOYSA-N 263.337 3.990 30 20 CHED Oc1ccccc1/C=N/[C@@H]1C[C@H]1c1ccc(F)cc1 788318596 GLHPRBUXCNKMJK-UYHBEJOSSA-N 255.292 3.506 30 20 CHED Cc1cccnc1NN=C1CCSc2ccccc21 790187673 ZDZQTYXYYNQHPM-UHFFFAOYSA-N 269.373 3.702 30 20 CHED CC(=NNc1nccn1C)c1ccc(-c2cccs2)cc1 790302521 TXYBKSWIFCHGSQ-UHFFFAOYSA-N 296.399 3.985 30 20 CHED C[C@]1(C=NNCc2ccc(Cl)cc2)CCCS1 793026004 OZSONULVPFFTJD-CYBMUJFWSA-N 268.813 3.701 30 20 CHED CSc1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1 794720389 QNUOSEUKWDTBDF-DAXSKMNVSA-N 273.332 3.839 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc(C#N)cc1 796322889 LMHHJFGLQBAOPY-GDBMZVCRSA-N 299.370 3.501 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1O 796694031 IRBLERYVBWQMAK-MRXNPFEDSA-N 284.334 3.644 30 20 CHED N#Cc1ccc(C(=O)Oc2cccc(Cl)c2Cl)o1 796729673 CBZZOEBVYHTBRR-UHFFFAOYSA-N 282.082 3.677 30 20 CHED C#CC[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 796749145 VFQPVOPKHKNURH-INIZCTEOSA-N 283.371 3.692 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1ccccc1C)c1ccco1 796762403 UXJYEZNNRJWSKO-SJORKVTESA-N 285.387 3.919 30 20 CHED Cc1cc(C)c(C=NNc2ncnc(Cl)c2C(C)C)[nH]1 797404195 IBSRDGHBUDUBTF-UHFFFAOYSA-N 291.786 3.644 30 20 CHED CCCCC[C@@H](C(=O)NCC1(CC#N)CC1)C(C)C 797565942 MZOYQMQDFZQMRB-CQSZACIVSA-N 264.413 3.649 30 20 CHED C#C[C@H](CC)OC(=O)c1ccc(-c2csc(C)n2)cc1 799624444 DTDXIUBDMKJTKU-CQSZACIVSA-N 285.368 3.687 30 20 CHED C[C@@H](C#N)OCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 801932088 GQGRUYQEWVJFNQ-KBXCAEBGSA-N 297.402 3.624 30 20 CHED C[C@H](C#N)OCCSCc1ccc(F)cc1Cl 802749682 JWXHWDQZYQGKSJ-SECBINFHSA-N 273.760 3.641 30 20 CHED C#C[C@H](C)N(C)C(=O)c1coc2ccc(C(C)C)cc12 804625718 BWSFWBWPIMRJGA-LBPRGKRZSA-N 269.344 3.650 30 20 CHED C=C(CNC(=O)/C=C\SCc1ccco1)c1ccccc1 805251497 ZIHJGMWJMGRRLZ-LUAWRHEFSA-N 299.395 3.856 30 20 CHED O=C(/C=C\c1ccc(-c2ccccc2)o1)c1ccnc(O)c1 806556514 VIOSACORAWRVFJ-VURMDHGXSA-N 291.306 3.943 30 20 CHED C=C(C)CNC(=S)N(C)[C@H](CC)c1cccc(OC)c1 806607156 WIXSKHOUAPEKIZ-OAHLLOKOSA-N 292.448 3.529 30 20 CHED CCCCCCCCC(=O)Nc1ncc(C2CC2)[nH]1 807661715 SEPQBYGTFQZHOC-UHFFFAOYSA-N 263.385 3.976 30 20 CHED C[C@@H](C#N)OCCN[C@H](C)c1ccc(F)c2ccccc12 808768208 JKURJJQCOKKRML-QWHCGFSZSA-N 286.350 3.558 30 20 CHED C#CCCCc1nc(C2(c3cc(F)ccc3C)CC2)no1 809510814 GVRNJSNOIAKBJR-UHFFFAOYSA-N 284.334 3.553 30 20 CHED C#C[C@H](NCc1ccc(N(C)c2ccccc2)nc1)C(C)C 809685563 AOJZGFSKNUNUOO-SFHVURJKSA-N 293.414 3.597 30 20 CHED C#CCCCCC(=O)Nc1ccc(-c2ccccn2)cc1 811003382 BEVLBPMROZWGIX-UHFFFAOYSA-N 278.355 3.881 30 20 CHED CCC(=NNc1nccn1C)C12CC3CC(CC(C3)C1)C2 811649618 SETWSNFIEKNSJW-UHFFFAOYSA-N 286.423 3.814 30 20 CHED C=CCCCCCCCNC(=O)NOC1CCCC1 811900946 JIIYOCGWKYFIEG-UHFFFAOYSA-N 268.401 3.686 30 20 CHED C/C(C=NOC1CCC1)=C\c1cccc([N+](=O)[O-])c1 812235403 FZDDFKCASFPIMK-NVVJJCHSSA-N 260.293 3.553 30 20 CHED CCOc1cc(C=NNc2ccccc2F)ccc1OC 812458898 NGNXUAWYKRGZQL-UHFFFAOYSA-N 288.322 3.679 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1csnn1 814811600 MBFUTMXQOWFVGT-NSHDSACASA-N 288.420 3.736 30 20 CHED CSCc1cnc(C=NN[C@@H]2CCCC2(C)C)s1 814917747 QGGVYLIYYPRCGH-LLVKDONJSA-N 283.466 3.508 30 20 CHED C[C@H](NCc1c(F)cc(F)cc1F)c1ccc(C#N)cc1 815649979 DNXCUISVXKBTNX-JTQLQIEISA-N 290.288 3.826 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)C(C)(F)F 815899908 HMMRCPFTPHTARR-CMPLNLGQSA-N 288.297 3.702 30 20 CHED CC[C@H](C)c1ccccc1OC(=O)c1ncc(C#N)cc1C 815902942 XWUQNPFRWDBGPH-LBPRGKRZSA-N 294.354 3.994 30 20 CHED N#C[C@@H](C(=O)[C@H]1CC2CCC1CC2)c1nc2ccccc2o1 815915090 CSCVDECYVPJOMB-HOAMVYINSA-N 294.354 3.830 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H]1CCC(C)(C)C1)c1ccccc1 820590802 JDZQALBVEDGRCT-HOTGVXAUSA-N 284.403 3.581 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](O)c1ccc(F)cc1 823573718 QBHUMOZVSHOROT-CJNGLKHVSA-N 265.372 3.584 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(OC(C)(C)C)c(C#N)c2)CCO1 824721775 JKSGEUIHHHNKMT-IUODEOHRSA-N 288.391 3.715 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)C#Cc1cccs1 825973087 NDVORUQSIKNHPZ-HOCLYGCPSA-N 295.407 3.504 30 20 CHED C#CC1CCN(c2c(C#N)cnc3c(Cl)cccc23)CC1 826709879 AQDKHUVDDKQUOA-UHFFFAOYSA-N 295.773 3.609 30 20 CHED C=C(C)CCc1noc(C[C@@]2(C)CC2(Cl)Cl)n1 834733393 HHBGJPKDSIADJP-NSHDSACASA-N 275.179 3.705 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1cc(C)sc1C 834995997 NCXINJSIHZFAHH-SECBINFHSA-N 264.316 3.629 30 20 CHED COC(=O)c1cc(NN=C2CC[C@H]2C2CCC2)ccc1F 835012333 RYMHPSNSZPUCQO-LBPRGKRZSA-N 290.338 3.590 30 20 CHED C=C[C@H](CC)OC(=O)C1(Cc2ccccc2)CCOCC1 835273676 GLOVNJFJIZAVHL-MRXNPFEDSA-N 288.387 3.534 30 20 CHED Cc1ccc(C(=O)OCC2(C#N)CC2)c(Cl)c1Cl 835415104 ZCUPGCNEQSXSAB-UHFFFAOYSA-N 284.142 3.762 30 20 CHED C[C@H](NC(=O)C#CC1CC1)c1cccc(Cl)c1Cl 837426110 HXOVHAXOLQDURC-VIFPVBQESA-N 282.170 3.584 30 20 CHED C=COc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 837761729 UAZDAOHVSCYKQW-UHFFFAOYSA-N 270.332 3.621 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2cccc(Cl)c2)C1 839049670 JWHUFPQVEZMOIF-OCCSQVGLSA-N 277.751 3.508 30 20 CHED CCCC(CCC)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839057677 UIFWIMWZAJXLNN-GXTWGEPZSA-N 251.370 3.828 30 20 CHED COc1ccc(C(C)=NOCc2ccccc2)c(F)c1 839419314 BVSYSGSNVGMBSG-UHFFFAOYSA-N 273.307 3.775 30 20 CHED Cn1ncc2c1CC/C(=C\c1ccc(C3CC3)cc1)C2=O 840719770 VPLNFHXRXLVQEU-XNTDXEJSSA-N 278.355 3.510 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 842376189 MABSAHBRLCVACC-UNEWFSDZSA-N 256.345 3.525 30 20 CHED C#CCCCC(=O)N[C@H](C1CCCCC1)C1CCC1 843716026 KPZTVEPSCSZCGQ-QGZVFWFLSA-N 261.409 3.655 30 20 CHED Cc1ccc(-c2ccc([C@@H](O)C3CC3)cc2)c(C#N)c1 844233077 ZIZCTHFFSUWOAS-GOSISDBHSA-N 263.340 3.977 30 20 CHED Cc1c(NN=C2CS[C@H](C(C)C)C2)cccc1C(=O)O 844624090 UPHQZARGDWXEAD-AWEZNQCLSA-N 292.404 3.623 30 20 CHED C=C[C@@H](C)ONC(=O)C1(c2cccs2)CCCCC1 846546261 UKBUARFZTIGHNF-GFCCVEGCSA-N 279.405 3.572 30 20 CHED O=C(O)c1cc(NN=C[C@@H]2CC[C@H]3C[C@@H]3C2)ccc1Cl 853258143 JAYDWAWMJCKWET-VWYCJHECSA-N 292.766 3.872 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 855441011 SOWHPUGCVDTCHX-SECBINFHSA-N 287.190 3.750 30 20 CHED COc1ccc(-c2ccc([C@@H](C)O)cc2)cc1C1(C#N)CC1 864550139 OWXFTHSMKHEQPN-CYBMUJFWSA-N 293.366 3.971 30 20 CHED CC(C)[C@@H](NCC1CCC(C#N)CC1)c1ccccn1 866353351 RATXOJZAVFUBIQ-VMBOVVBDSA-N 271.408 3.698 30 20 CHED CCC[C@@H](CC)C(=O)N(CC)c1ccc(C#N)cc1 875378886 ZEERYRBMLLZJPA-CQSZACIVSA-N 258.365 3.737 30 20 CHED CC(C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1F 876460690 CSPXAQCJZHAHRH-UHFFFAOYSA-N 275.110 3.621 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)c1ccc(F)cc1F 877934295 AMSQNBHAWXDKME-SNVBAGLBSA-N 267.319 3.744 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(N(C)C(=O)CC)cc1 882070464 QDEMWQMFDOYTBO-UHFFFAOYSA-N 288.391 3.600 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C(F)F)cc1)OCC 885580641 CYYQMTASYNTGDR-ZDUSSCGKSA-N 283.318 3.934 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(OC)ccc1OC(F)F 888229296 RRVPFRJAHKBADH-UHFFFAOYSA-N 299.317 3.837 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)Cc2ccsc2)CC1 888359959 UZKCQRJMKSVUEX-LBPRGKRZSA-N 263.406 3.542 30 20 CHED N#Cc1cc(F)c(N[C@@H]2CCCc3cccnc32)c(F)c1 896413195 KVZQBIWLGSPESS-CQSZACIVSA-N 285.297 3.721 30 20 CHED C=C1CC(c2noc(CCc3cnc4ccccc4c3)n2)C1 896878357 YTPQVEJIXFFJQM-UHFFFAOYSA-N 291.354 3.837 30 20 CHED C=C1CC(c2noc([C@H](SCC)C(C)C)n2)C1 896881026 AQURKRZPVXSWHO-LLVKDONJSA-N 252.383 3.953 30 20 CHED C=C1CC(c2noc([C@@H](F)Cc3ccccc3)n2)C1 896883030 DQYBXTAVVLFKNP-ZDUSSCGKSA-N 258.296 3.757 30 20 CHED C=C1CCC(C(=O)N(OC)[C@H](C)c2csc(C)n2)CC1 897890465 DKCZESODECXFCC-LLVKDONJSA-N 294.420 3.649 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)cc1 899341273 YEMNGHICOMLFHR-WDZFZDKYSA-N 296.370 3.903 30 20 CHED Cc1cccc(C(=O)N(O)Cc2cccc3ccccc23)n1 901370484 IZRIJOLLOBSPDY-UHFFFAOYSA-N 292.338 3.575 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1nc(C)c(C)[nH]1)C2=O 901490339 VBOJZVJETVMQTF-DOQDJBIESA-N 266.344 3.718 30 20 CHED Cc1nn(C)c(/C=C2\C(=O)c3ccccc3[C@@H]2C)c1Cl 901505775 GSFCFSFUMPHSMP-LMRAXHDRSA-N 286.762 3.765 30 20 CHED CC(=O)OCCCSCCCCC1(C#N)CCC1 901548428 OYUYMKRBRGAZID-UHFFFAOYSA-N 269.410 3.537 30 20 CHED CC(C)(C)c1nc(CON=Cc2ccccc2F)co1 902690017 BUWZYSHPYNMJOP-UHFFFAOYSA-N 276.311 3.662 30 20 CHED Cc1ccc(C=NNc2ncnc3sccc23)s1 916368665 UYSFBMCNYHYSPD-UHFFFAOYSA-N 274.374 3.507 30 20 CHED Cc1cc(C)c(C#N)c(N2Cc3ccccc3[C@H](C)C2)n1 920961600 VFNSALNMYMCEDH-CYBMUJFWSA-N 277.371 3.694 30 20 CHED C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccccc1C#N 921112693 YTEYSASFQDAGIW-ZDUSSCGKSA-N 297.329 3.619 30 20 CHED N#CC1(CCOC(=O)c2cc3ncccc3o2)CCCCC1 923865721 GPUMGKDYKYEAJE-UHFFFAOYSA-N 298.342 3.849 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(-c2ccccc2)no1 926615034 MNNNZRIXXOWEKS-VNHYZAJKSA-N 281.359 3.684 30 20 CHED C#CCN(C(=O)Nc1ccc2nc(C3CC3)oc2c1)C(C)C 930283939 NRFPIYRYWRBSJK-UHFFFAOYSA-N 297.358 3.581 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@H](Nc2ccccc2)C1 934946309 YBBAQTZCPLAANO-RDJZCZTQSA-N 286.419 3.692 30 20 CHED C=C[C@H](CC)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 935185018 SRJRBGVTXNJAMD-OAHLLOKOSA-N 294.398 3.776 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1cc(F)c(F)c(F)c1 935265371 FARVRRLGPWWUGW-JTQLQIEISA-N 285.309 3.665 30 20 CHED CC(C)(CCNc1cccc(CC#N)n1)c1ccccc1 1116636685 UNGVWTUTJFWQOF-UHFFFAOYSA-N 279.387 3.927 30 20 CHED C#CC[C@H](C)OC(=O)c1sc(-c2ccccc2C)nc1C 1122720854 NLPWSDSSIFCREZ-LBPRGKRZSA-N 299.395 3.996 30 20 CHED COc1ccc(C#N)cc1NCc1cc2ccccc2n1C 1178901669 VFYKOTBRCSZYTA-UHFFFAOYSA-N 291.354 3.671 30 20 CHED N#CCOc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 1254105034 RXVFQQKYUIQPLY-SFHVURJKSA-N 296.345 3.505 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nnc(CC3CCCC3)o2)c1 1261575274 ARXZNICWFFWGAV-JKSUJKDBSA-N 293.370 3.945 30 20 CHED CCC1(CC)CN(CCc2ccc(C#N)cc2)CCS1 1307661959 LWSZEIDABQBTSZ-UHFFFAOYSA-N 288.460 3.708 30 20 CHED C#C[C@@H](Nc1c(C#N)cccc1C#N)c1ccc(Cl)cc1 1324236319 NKUFXIXHLUDKSQ-MRXNPFEDSA-N 291.741 3.870 30 20 CHED C[C@H](CC#N)NC(=O)c1ccc2c(c1)oc1ccccc12 1325874763 PPWNSXFGGGHMIQ-LLVKDONJSA-N 278.311 3.618 30 20 CHED C=CCCCCOC(=O)c1cnn(C2CCCC2)c1C 1330825196 WHZBEHWEJAUSSV-UHFFFAOYSA-N 276.380 3.820 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCc2ccccc21 1332363761 GWXDMPYSCRLXSK-HIFRSBDPSA-N 256.393 3.634 30 20 CHED C=C(C)CCC(=O)NC[C@H]1CCCCC(F)(F)C1 1337357940 PVCUQVMEDDZONZ-LBPRGKRZSA-N 259.340 3.675 30 20 CHED C[C@H](NC(=O)c1cc2c(o1)CCCC2)c1ccc(C#N)cc1 1337907044 OJIJBNJATMMQCY-LBPRGKRZSA-N 294.354 3.521 30 20 CHED C=C(CC(C)C)C(=O)N1CCCC[C@@H]1c1nccn1CC 1349800723 ZBJJTFQGVHNOIZ-OAHLLOKOSA-N 289.423 3.559 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1ccc(C#N)c(F)c1 1436590169 WJBZDCJORIGTJT-CQSZACIVSA-N 266.291 3.554 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](C)CC#N 1440153456 KWTPOKZCDQUQHB-GOEBONIOSA-N 278.440 3.990 30 20 CHED N#Cc1cnc(SCc2cccc(F)c2F)c(F)c1 1458591395 HTCUCCJOXZJGSI-UHFFFAOYSA-N 280.274 3.663 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 1461935517 OBAMILMUOZOSIQ-RHSMWYFYSA-N 286.419 3.967 30 20 CHED Cc1ccc(CCNc2c(C#N)cccc2C#N)cc1C 1472827176 PODJAMGNZNXLQE-UHFFFAOYSA-N 275.355 3.701 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)C(F)F)C1 1474763323 VEMKQXHRFZIDCR-MRVWCRGKSA-N 264.319 3.665 30 20 CHED C=C(CC(C)C)C(=O)NC(C)(C)c1nc2ccccc2n1C 1528113146 FTASEEJPPLWQIH-UHFFFAOYSA-N 299.418 3.527 30 20 CHED N#CCc1ccccc1C(=O)Nc1ccc2ccccc2n1 1542522017 AEGGVXCDCZJOQA-UHFFFAOYSA-N 287.322 3.553 30 20 CHED N#Cc1ccc(CCN2CCC[C@@H]2C2CCCC2)cc1 1559493723 KYENBMFRVDJMLD-GOSISDBHSA-N 268.404 3.755 30 20 CHED COc1ccccc1[C@H](C)OC(=O)[C@@]1(C#N)CC12CCCC2 1584200351 LOXXGPRTNOBTNF-UGSOOPFHSA-N 299.370 3.773 30 20 CHED C=C(C)CCC(=O)Oc1cccc2c(CC(=O)O)cccc12 1588559032 HJKPFLJXHDOMNK-UHFFFAOYSA-N 298.338 3.729 30 20 CHED C=C[C@H](N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C)C(=O)O 1602817486 XUMCDSLYSRIVMI-HOTGVXAUSA-N 289.419 3.910 30 20 CHED CCCCCCCC(=O)Nc1ncc(C(=O)O)cc1Cl 1605266352 GODDUWGDMGLVIV-UHFFFAOYSA-N 298.770 3.732 30 20 CHED CCCCCCCCC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)O 1605267360 UPDRVQNVNZOXPN-PBHICJAKSA-N 297.439 3.887 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ncc(C#N)cc2F)c(C)c1 1611849149 AAAUVKUQYFANGP-CYBMUJFWSA-N 283.350 3.907 30 20 CHED Cc1ccc(C#N)c(NC[C@]2(C)CCCc3ccccc32)n1 1642528651 QWAJIXYRNGKRME-IBGZPJMESA-N 291.398 3.968 30 20 CHED CSc1cc(NC(=O)c2c[nH]c(C#N)c2)ccc1Cl 1642828989 WHNDVCUTZNBGNB-UHFFFAOYSA-N 291.763 3.514 30 20 CHED N#Cc1c(F)cccc1SCc1cnc2ccccc2n1 1652860799 BGAYNELIUYYPNB-UHFFFAOYSA-N 295.342 3.933 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1CCOc1ccccc1C#N 1652889608 COQAOJHUWUCPSF-WBVHZDCISA-N 286.419 3.838 30 20 CHED CCO[C@H]1C[C@@H](N(C)c2ccnc(C#N)c2)C12CCCCC2 1655208468 LJBSAWIFPPCLGF-SJORKVTESA-N 299.418 3.517 30 20 CHED CC[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 1657519762 CWILHYVMZVQOIA-DAXOMENPSA-N 260.356 3.949 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C#N)cc1F 1659503314 AVPJCZQZNKGXKY-ZDUSSCGKSA-N 293.345 3.762 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@H]1CCCC[C@@H]1C 1776013142 KNRVMAVXERIDHK-NHYWBVRUSA-N 274.364 3.999 30 20 CHED Cc1cc(C)c2c(c1)CCC2=NNc1ccccc1C(=O)O 1776031197 RUQGKOCZKVHLCP-UHFFFAOYSA-N 294.354 3.764 30 20 CHED C=CCN(Cc1ccc(C)cc1)[C@H](CCCC)C(=O)O 1776180166 PUQKPPYEFNWYGV-MRXNPFEDSA-N 275.392 3.626 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)Cc2cccc(F)c2)c1 171195209 XGFZRMSZMYEPOY-CQSZACIVSA-N 295.357 3.649 30 20 CHED Cc1nc(CSCCOc2cccc(C#N)c2)cs1 105632881 JXABSBJLNZRIPW-UHFFFAOYSA-N 290.413 3.635 30 20 CHED CSC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 134832273 DEMLSGBBUXZHAB-QMMMGPOBSA-N 274.311 3.740 30 20 CHED C=CCOCCCC(=O)N(CC)Cc1cccc(Cl)c1 173365608 XIJCVARPJYMFHC-UHFFFAOYSA-N 295.810 3.671 30 20 CHED CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1 51626898 CDKOKBGBOYWTNB-GOSISDBHSA-N 280.371 3.830 30 20 CHED CC(C)CN(Cc1ccc(N(C)CCC#N)cc1)C(C)C 179703300 KJWFILLZAIKADM-UHFFFAOYSA-N 287.451 3.903 30 20 CHED N#CCCCCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 178646954 CVNOZVHSMZVJCI-HZPDHXFCSA-N 260.356 3.745 30 20 CHED C#CCCCCC(=O)NCC1(Sc2ccccc2)CC1 119830401 SKQNODNVWGLZJV-UHFFFAOYSA-N 287.428 3.621 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nn(-c2ccccc2)cc1C 106950464 MTJFMEYVLLNGQW-UHFFFAOYSA-N 298.390 3.611 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)CCOc1ccc(C#N)cc1 57974316 HIAYSKSNTRVXOZ-CQSZACIVSA-N 298.361 3.769 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 107240822 AFQGKPKLJLOJHM-MVWJERBFSA-N 297.185 3.515 30 20 CHED CCC[C@H](CC)NCc1ccc(N(C)CCC#N)cc1 105462262 VOSLKMIOHXOGJA-INIZCTEOSA-N 273.424 3.705 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1c(C)noc1C)CC2 179071620 BGRXITZYZDFJKB-NTEUORMPSA-N 267.328 3.812 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OCC2CC2)cc1 172229601 SMQWXTBAINJHQK-UHFFFAOYSA-N 288.391 3.905 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2CC=CCC2)c(OC)c1 70730518 HZWNKTBQMNGDNU-CQSZACIVSA-N 272.344 3.685 30 20 CHED CC(C)CCNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 66173758 AWLLJKVCSDGKTB-UHFFFAOYSA-N 287.407 3.524 30 20 CHED N#C[C@@H](NC(=O)c1ccco1)c1cccc(Cl)c1Cl 66393170 BPNVXCQTXQRSBV-SNVBAGLBSA-N 295.125 3.581 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C)c(Cl)c1 410148014 OFHMNEBADQMRGS-GFCCVEGCSA-N 251.757 3.733 30 20 CHED CS[C@@H]1CC[C@@H](Nc2nc(C)c(C#N)cc2Cl)C1 311054632 XWNCFUBTTCSBMP-GHMZBOCLSA-N 281.812 3.611 30 20 CHED CC[C@@H](C)Oc1cc(CNc2ccc(C#N)cc2)ccn1 302051394 OUTKLZBQEMEGCQ-CYBMUJFWSA-N 281.359 3.743 30 20 CHED CC[C@@H](CNCc1ccc(C#N)cc1)Oc1ccccc1F 176990589 DMENZTWXUXWJPG-INIZCTEOSA-N 298.361 3.645 30 20 CHED C[C@@H](N[C@H](C)C1CCSCC1)c1ccc(C#N)cc1 353927466 JFEQHUYNZXQBKO-CHWSQXEVSA-N 274.433 3.741 30 20 CHED C=CCCC(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 110559159 BEVLPZYZDQYBPH-LLVKDONJSA-N 285.309 3.719 30 20 CHED Cc1ccccc1C(=O)N(C)c1cc(Cl)ccc1C#N 176433902 KASCTTSUKPRHFZ-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C[C@@H](Sc1cccc(C#N)n1)c1ccc(F)cc1 301821323 GTMUNEDISTZODG-SNVBAGLBSA-N 258.321 3.946 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/CCC(F)(F)F)cc1 304738635 AVCHVYBXAXSUIW-SNVBAGLBSA-N 287.329 3.879 30 20 CHED N#Cc1cc(F)ccc1NCc1cc(-c2ccccc2)on1 302712711 ZTNHGYVRXRXMOA-UHFFFAOYSA-N 293.301 3.964 30 20 CHED CC(C)[C@H](CNc1ccc(C#N)cn1)c1ccccc1 301063414 CVUICAWGXYZOLE-INIZCTEOSA-N 265.360 3.805 30 20 CHED C=CCC[C@@H](NCCCc1nc2ccccc2[nH]1)C1CC1 120542918 DMYTWBXATOSEBO-OAHLLOKOSA-N 283.419 3.830 30 20 CHED C[C@H](CCc1cccn1C)Nc1c(F)cc(C#N)cc1F 301422112 CNMFBBUYTAFVKX-LLVKDONJSA-N 289.329 3.608 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCCCOC(C)C)c2c1 301717227 HLWRFIDCHNKPGA-UHFFFAOYSA-N 297.402 3.950 30 20 CHED CCCc1nnc(S[C@H](C)c2ccc(C#N)cc2)o1 122242588 XNKBXCKWDVRMCD-SNVBAGLBSA-N 273.361 3.747 30 20 CHED CCCCCCCOC(=O)c1cccc(C[S@@](C)=O)c1 126042886 BXPVAUTWKOFIRG-FQEVSTJZSA-N 296.432 3.692 30 20 CHED N#Cc1ccc(N2CC[C@H](Cc3ccccc3)C2)cc1 301433559 RGQCAZCTXATBPM-QGZVFWFLSA-N 262.356 3.627 30 20 CHED C=CCCN(OCc1ccccc1)[C@@H](C)c1cnccn1 187393137 BOCFOWBOCVFFLH-HNNXBMFYSA-N 283.375 3.548 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C)c1 185666860 IEJZTMZREIOWHQ-UHFFFAOYSA-N 273.376 3.770 30 20 CHED COc1ccc(C(C)(C)CN[C@@H]2CCC[C@@H](C#N)C2)cc1 185822045 UHJCUOKWPDBKSL-GDBMZVCRSA-N 286.419 3.645 30 20 CHED C[C@@H](Sc1nnc(C(C)(C)C)[nH]1)c1cccc(C#N)c1 189827016 QEOZBRAYUHWZAB-SNVBAGLBSA-N 286.404 3.827 30 20 CHED C[C@@H](C#N)CNC(=O)N1CCC[C@H]1CCC1CCCCC1 182757245 BQUXUYOEWBUEBO-HOCLYGCPSA-N 291.439 3.681 30 20 CHED N#CC1(c2ccccc2)CC(N[C@@H]2CCc3ccccc32)C1 315271635 ADPAZKWLLBKDFT-SKINQDTJSA-N 288.394 3.887 30 20 CHED N#Cc1ccc(OC(=O)[C@H](c2ccccc2)C2CC2)c(F)c1 125619879 ZCZRYUGAAMQGCI-QGZVFWFLSA-N 295.313 3.797 30 20 CHED Cc1ccc(OC(F)F)c(CN[C@H]2CCC[C@@H](C#N)C2)c1 185856712 RTQDXNQDMVXILV-OCCSQVGLSA-N 294.345 3.768 30 20 CHED C=C(C)COc1cccc(NCc2cccnc2C)c1 129271867 VQAPTXRWLPFGOI-UHFFFAOYSA-N 268.360 3.957 30 20 CHED C=CCn1c(SCCC)nnc1-c1ccc(OC)cc1 72645697 NFYMHEPZWKEHCL-UHFFFAOYSA-N 289.404 3.642 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 187771096 KXNNZYDHTBRBIW-MRXNPFEDSA-N 269.348 3.618 30 20 CHED C=CCC[C@@H](O)CN[C@H](CCC)c1ccc(F)cc1F 181675253 NSYBCSZAWPNREN-CZUORRHYSA-N 283.362 3.723 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1C[C@@H](C)C[C@H](C)C1 503355968 LDGVMXZBLVPWIM-RYUDHWBXSA-N 270.376 3.878 30 20 CHED CC[C@@H](SC)C(=O)Nc1scc(C(C)(C)C)c1C#N 410927275 KCZFKHDSYXISBT-LLVKDONJSA-N 296.461 3.997 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2CCCSCC#N)C1 342193477 WUXGVAPNBIHCKC-DZGCQCFKSA-N 266.454 3.534 30 20 CHED Cc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)c(C)s1 75275725 GDPASQVXTWHOKU-LLVKDONJSA-N 284.384 3.728 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 182449605 GETWTPFYIWGHMT-FZMZJTMJSA-N 287.325 3.683 30 20 CHED C=CCC[C@H]1NC(=O)N([C@H](C)c2cccc(C3CC3)c2)C1=O 419967911 OYWOLHRMWZEUTO-MLGOLLRUSA-N 298.386 3.512 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCC(C)(C)c1ccccc1 410824679 DBWTWWOICCVMFA-MRXNPFEDSA-N 286.419 3.895 30 20 CHED CSC[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 133448866 ACLXNFPRKDDLFM-MRVPVSSYSA-N 274.311 3.740 30 20 CHED C#CCCCN[C@H]1CCSc2cc(C)c(C)cc21 187260438 SYFZWEBHJKECDJ-HNNXBMFYSA-N 259.418 3.843 30 20 CHED C[C@H]1CCC[C@@H](CNc2c(C#N)nnc3ccccc23)C1 226142506 BHMOHJYPXRZWNV-QWHCGFSZSA-N 280.375 3.740 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC(O)=Nc1cccc(C2CCC2)c1 329607444 IKGHXLFQKYGANQ-HOCLYGCPSA-N 283.375 3.781 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC=CCC1 45403781 RKYPBIMWXPLMJE-QGZVFWFLSA-N 282.387 3.653 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cccc(C)c2C)n1 41519998 LUABCEJMFCLHFC-CYBMUJFWSA-N 270.357 3.558 30 20 CHED CC(C)(C#N)CCCOc1cccc(-n2ccnc2)c1 135505635 JALVODWIERFDNO-UHFFFAOYSA-N 269.348 3.581 30 20 CHED O/C(=N/C[C@H]1CCCS1)c1coc(C2CCCC2)n1 328733315 JOFDCMVEZFHKAL-LLVKDONJSA-N 280.393 3.532 30 20 CHED C=CC[C@H](CC)NS(=O)(=O)c1csc2ccccc12 509720573 RWAANNALWJUWBY-NSHDSACASA-N 295.429 3.534 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(C#N)cc1 47678977 DDIHWONQGWIHEJ-VWPFQQQWSA-N 299.418 3.743 30 20 CHED CC[C@@H](CC(=O)O[C@@H](C#N)CC)c1ccc(C)cc1 84710091 XAXYCPDGXAILEG-DZGCQCFKSA-N 259.349 3.724 30 20 CHED COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 424329134 PDLSWOBKBGAREE-GRYCIOLGSA-N 278.783 3.691 30 20 CHED CC(C)c1nsc(N[C@H](C)c2ccc(C#N)cc2)n1 87640739 IWWSOCFUGDWCFQ-SNVBAGLBSA-N 272.377 3.706 30 20 CHED COc1cc(Cl)ccc1[C@@H](C)NCC(C)(C)CC#N 421853393 IZDURPZGUISLGL-LLVKDONJSA-N 280.799 3.939 30 20 CHED Cc1nc(N=C(O)c2cccnc2C2CC2)sc1C 329354620 YMSGQTSXQBEZEP-UHFFFAOYSA-N 273.361 3.669 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccoc2Cl)cc1 192394882 WZRWIHVSYBQWEK-UHFFFAOYSA-N 288.734 3.986 30 20 CHED C=CCCCCCN1CCC[C@@H]1c1c(C)n[nH]c1C 193457002 OLHPUHPJCMQXHO-OAHLLOKOSA-N 261.413 3.910 30 20 CHED C#Cc1cccc(NCc2cc(F)cc3cccnc23)c1 130479941 GACRJEYRMJYLLE-UHFFFAOYSA-N 276.314 3.967 30 20 CHED CCCCC/C(O)=N/S(=O)(=O)/C=C/c1ccccc1 42320295 WRWSVCWPXPZOIN-VAWYXSNFSA-N 281.377 3.524 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 425557921 CIUFYECETOOGSC-CYBMUJFWSA-N 276.767 3.623 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425641450 VOUKMVGJKPXECQ-IYOUNJFTSA-N 284.403 3.904 30 20 CHED CC[C@@H](C#N)OC(=O)CCCCOc1cc(C)ccc1C 84710212 PKCITVAAUSVHLQ-HNNXBMFYSA-N 289.375 3.698 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 195525983 VHHUXOKRXRLIGW-AWEZNQCLSA-N 280.327 3.511 30 20 CHED CCC[C@H](NCc1ccc(C#N)s1)c1cccnc1 421893136 WVJRIQZOGQGBNJ-HNNXBMFYSA-N 271.389 3.646 30 20 CHED CC(C)Sc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 331087569 DVBPWWNZHBKVQC-HIFRSBDPSA-N 288.416 3.609 30 20 CHED C[C@@H](c1ccco1)N(C(=O)c1cc(C#N)cs1)C1CC1 84085750 HVGXNFVHDROEFN-JTQLQIEISA-N 286.356 3.579 30 20 CHED N=C(O)N1CCCc2ccc(N=C(O)[C@@H]3C[C@H]3C3CC3)cc21 330312196 OCOGWNHLPGXXAR-UONOGXRCSA-N 299.374 3.566 30 20 CHED N#Cc1ccccc1CN[C@@H](c1ccccc1)C1CC1 192509781 IJGVSOJDRYKBGS-SFHVURJKSA-N 262.356 3.799 30 20 CHED COc1ccccc1CSc1snc(Cl)c1C#N 92655803 AMKKEUJQKQDCHL-UHFFFAOYSA-N 296.804 3.969 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(CC#N)cc2Cl)C1 335040205 LXTJPJDLRCCLJN-JQWIXIFHSA-N 276.767 3.781 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 424790691 XUBPCBYXFFWNLB-JKSUJKDBSA-N 287.403 3.625 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCOC2(CCC2)C1 335104589 PKPFQZJSYDMFQN-SJLPKXTDSA-N 296.414 3.627 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@@]23CCC[C@@H]2C3)cc1C#N 421568414 GUYRFKIAWSFZFT-FZKQIMNGSA-N 298.386 3.864 30 20 CHED CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2)C12CCCCC2 236974921 QVXVBWFXJBHQEC-MSOLQXFVSA-N 298.430 3.776 30 20 CHED COc1cc(CN(C)Cc2ccc(C)cc2)ccc1C#N 234927757 OCYHVMCMALWEQK-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C=CCCCCCN1CCC([C@](C)(O)C(F)(F)F)CC1 516526114 VPPDBZQWILMMGC-AWEZNQCLSA-N 293.373 3.758 30 20 CHED CCN(Cc1ccnc(OC)c1)[C@H](C)c1ccc(C#N)cc1 339864228 ARCPZCPXNCVJKV-CQSZACIVSA-N 295.386 3.545 30 20 CHED Cc1cnc(CN[C@H]2CCCCc3cc(C#N)ccc32)s1 335885357 KKYMZRKGGGSXTR-INIZCTEOSA-N 297.427 3.881 30 20 CHED Cc1ccnc(C)c1N=C(O)C1C[C@@H]2CCC[C@H](C1)C2=O 330133800 MCRKVUIVISMVKO-PBWFPOADSA-N 286.375 3.682 30 20 CHED Cc1csc(-c2cccc(NC(=O)[C@]3(C#N)C[C@H]3C)c2)n1 335644420 NCIWDQXQTGDGMO-HWPZZCPQSA-N 297.383 3.607 30 20 CHED CC1(C)CCC(C(O)=Nc2nc3cccnc3[nH]2)CC1 330218831 JRKRFBZERSOPDU-UHFFFAOYSA-N 272.352 3.762 30 20 CHED C[C@H]1C(=O)CC[C@H]1CC(O)=Nc1cnc2c(c1)CCCC2 330030272 RIHDVKYSTZYROY-NEPJUHHUSA-N 286.375 3.554 30 20 CHED C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 90180661 NXXQPFKMDQNXGB-LBPRGKRZSA-N 281.321 3.835 30 20 CHED O=C(/C=C\c1ccccc1Cl)c1ccc2c(c1)OCO2 96766817 XBJLMCUDSHIVPE-ALCCZGGFSA-N 286.714 3.965 30 20 CHED C=C(CNC(=O)N1CC[C@@H](C(C)(C)C)C1)c1ccccc1 512671010 CVHMTMPCUJGWSV-MRXNPFEDSA-N 286.419 3.777 30 20 CHED N#Cc1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1 439561846 PIMQGHDKCZSQLH-UHFFFAOYSA-N 299.280 3.643 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(F)c1F 432368705 QSOVQHBJBKQGQR-NSHDSACASA-N 296.361 3.927 30 20 CHED C[C@H](Sc1ccc(C#N)cc1F)c1cccnc1 334681633 UDHFJHBOCLMEJE-JTQLQIEISA-N 258.321 3.946 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1c(F)cccc1Cl 528766738 ITCQVLOVOWTUSE-SNVBAGLBSA-N 296.773 3.986 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)cn1 348795392 HWGSQQOWXLJNOP-JTQLQIEISA-N 266.772 3.515 30 20 CHED C=C(C)CN1CCC(N[C@@H]2C[C@H](C)CC[C@@H]2CC)CC1 430722988 RHYZWZKCYUCZGW-SOLBZPMBSA-N 278.484 3.831 30 20 CHED C=CCCCCCN(C)CC(=O)NC1CCCCCC1 523552884 AXVCQVZORNMLFC-UHFFFAOYSA-N 280.456 3.504 30 20 CHED CC(C)Oc1ccccc1/C=C/c1ccncc1C#N 347457991 ZSWGSKXUYICBAW-BQYQJAHWSA-N 264.328 3.911 30 20 CHED CC(C)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 341869444 AJTAZFPLVKWDCW-GUYCJALGSA-N 256.393 3.960 30 20 CHED CCN(C(=O)Nc1cc(F)cc(C#N)c1)[C@@H](C)C(C)C 603081300 OJJHVBJZHBVMGP-NSHDSACASA-N 277.343 3.596 30 20 CHED Cc1ccccc1[C@@H]1CN(C[C@H](C)CCC#N)[C@@H](C)CO1 602475164 XIFCVSTUADEVJH-HFTRVMKXSA-N 286.419 3.697 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@H](C)c1ccc(F)cc1 521350230 JLZUQGAJVTWOQV-ZDUSSCGKSA-N 278.371 3.537 30 20 CHED CSc1cc(C)ccc1CNC[C@@H](C)CCC#N 602567921 KUCXSMYHAYAQFG-ZDUSSCGKSA-N 262.422 3.746 30 20 CHED C[C@H](CCC#N)CN(Cc1ccc(F)cc1)CC1CC1 602471327 CCSYQGBFQXAYBW-CQSZACIVSA-N 274.383 3.978 30 20 CHED N#CCCCNC(=O)c1ccc(C2CCCCC2)cc1 342647188 IPGOWPISLUAXJP-UHFFFAOYSA-N 270.376 3.768 30 20 CHED C=CC[C@H](C)NC(=O)c1cccnc1Nc1ccccc1F 604880576 YJNIDFUYCVSLSB-LBPRGKRZSA-N 299.349 3.659 30 20 CHED Cc1cccc([C@@H](C)Nc2cc(C#N)ccn2)c1C 342408982 CINPRROFGVVZEZ-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccc(F)cc2C(F)(F)F)C1 349846479 BRJQYLKTXZIKDJ-BXKDBHETSA-N 286.272 3.626 30 20 CHED C=CCCCSCc1nc(-c2ccccc2)no1 609803932 MPSYGBVXPNWYQC-UHFFFAOYSA-N 260.362 3.936 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@H]2CCc3ccccc32)C1 609737035 XVEUHVPHKVYZSG-OGWOLHLISA-N 296.414 3.695 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CC[C@H](c2cccc(F)c2)C1 602644375 MWGZGBOXDBPBIY-UKPHBRMFSA-N 274.383 3.991 30 20 CHED CCCCOc1ccc(CCN[C@H]2CC[C@@H](C#N)C2)cc1 442718337 LLGOFGDJKMVQHN-SJORKVTESA-N 286.419 3.690 30 20 CHED C[C@H]1C[C@H](C)CN(CCCCNc2ccc(C#N)cc2)C1 603860522 JTCGMHCKHLFZMP-HOTGVXAUSA-N 285.435 3.728 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1Cl 448677530 YLFTYVIKXOHZAC-BONVTDFDSA-N 292.766 3.615 30 20 CHED C=C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 520494617 YJKGVPIETDXSFE-UHFFFAOYSA-N 293.794 3.678 30 20 CHED C=CCOC(=O)c1csc(-c2cccc(Cl)c2)n1 253374607 MYDFELCFCRFCKA-UHFFFAOYSA-N 279.748 3.806 30 20 CHED CC[C@H](CSc1ccccc1)N[C@@H]1CC[C@@H](C#N)C1 442846753 JYYURMRCIGDKHO-RBSFLKMASA-N 274.433 3.839 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 351830199 DWQGLCGOROAVMS-INIZCTEOSA-N 299.399 3.997 30 20 CHED C=CCCCNC(=O)Nc1ccc(C(=O)C2CCC2)cc1 448078252 QZSWMXTWQPYEIK-UHFFFAOYSA-N 286.375 3.757 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(C)cc1OC 538286226 DDBYQIJJLLAMCU-AWEZNQCLSA-N 290.407 3.548 30 20 CHED C=CCN1CC[C@H](SCCCCc2ccccc2)C1=O 538608138 BFQGVZIHZGFCAF-INIZCTEOSA-N 289.444 3.529 30 20 CHED CCc1sc(C(=O)N(C2CC2)C2(C#N)CCC2)cc1C 357383953 PPJDZYPBAKTKKS-UHFFFAOYSA-N 288.416 3.670 30 20 CHED C=C(C)CCc1noc(-c2cccc(C(C)C)n2)n1 351641031 LPBMODJBCKXXHD-UHFFFAOYSA-N 257.337 3.764 30 20 CHED C=CCCCN(C)C[C@@H](C)Cc1ccc(OC)cc1 534914753 DBKZNKKEDIOYGW-HNNXBMFYSA-N 261.409 3.772 30 20 CHED CCC(CC)[C@H](CCNc1ncc(C#N)cc1Cl)OC 446878896 GKVXRCUGIDGCGU-AWEZNQCLSA-N 295.814 3.860 30 20 CHED C[C@@H](NCCCc1ccsc1)c1cccc(C#N)c1 611932597 VRYFQSKLXCCYPQ-CYBMUJFWSA-N 270.401 3.903 30 20 CHED Cc1ccccc1CNC(=O)C[C@@H](CC#N)c1ccccc1 353653629 HRWJOQMXERDKBD-QGZVFWFLSA-N 292.382 3.699 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 533915136 RVIXVFBFRFVWGV-WBMJQRKESA-N 290.382 3.849 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)C1 612367362 FKDLTQWXRJKJQL-HLLBOEOZSA-N 291.439 3.536 30 20 CHED C[C@H](S[C@@H](C#N)Cc1ccccc1)C(=O)OC(C)(C)C 619466362 UYVLJRJXWHMIHM-GXTWGEPZSA-N 291.416 3.585 30 20 CHED C=CCC[C@H](NC(=O)NCC(C)(C)C#N)c1ccccc1 354555661 WJMINWIMQAXNQW-HNNXBMFYSA-N 285.391 3.543 30 20 CHED C=CC(C)(C)C(=O)NCCc1ccc(OCC(C)C)cc1 448927490 DNCOGLVWUHFNKU-UHFFFAOYSA-N 289.419 3.592 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 619215742 NGHJUXKHJXWEBN-INMHGKMJSA-N 257.377 3.651 30 20 CHED CCOc1ccc(C#N)cc1NCc1nc2c(s1)CCC2 611530278 XHRHJUTXHAHLGC-UHFFFAOYSA-N 299.399 3.514 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CC[C@@H](C)C1 444150596 SOOCUALHXHGDNR-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED Cc1cc(-c2noc(-c3cc(C#N)cs3)n2)c(C)o1 351047136 YHGABAKJMZXTDS-UHFFFAOYSA-N 271.301 3.547 30 20 CHED C=CCCC1(C(=O)N[C@H]2c3ccc(F)cc3O[C@H]2C)CC1 360317725 KLWQTPZFHSMURH-XHDPSFHLSA-N 289.350 3.510 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1=CC[C@H](C)CC1 454991297 CBLNSRQEUCVZIE-LBPRGKRZSA-N 284.359 3.642 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(OCCC)c1 454403023 GZPSZVWJFMRJAT-UHFFFAOYSA-N 262.353 3.563 30 20 CHED N#Cc1ccc(/C=C\c2ccc3cnccc3c2)nc1 618634048 DDVAQXVKHIMMLS-DJWKRKHSSA-N 257.296 3.672 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1cc2ccccc2o1 615092173 GUHAYWREQAKWAX-GFCCVEGCSA-N 277.327 3.550 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](C)c1cccc(F)c1F 454729775 FUIHKRFGGSQKPT-JTQLQIEISA-N 282.334 3.537 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 271992178 LZOUGWRHDCESJH-ZIAGYGMSSA-N 282.387 3.502 30 20 CHED CN(CCC(C)(C)C#N)Cc1cc2ccccc2o1 272022218 NIFJSMOZZFCCNS-UHFFFAOYSA-N 256.349 3.804 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CCC(=O)CC1 450453472 PKEBDVCWZFXZNC-RBUKOAKNSA-N 296.414 3.517 30 20 CHED C=CCC1(C(=O)N2CCC(C)(OC)CC2)CCCCC1 450402566 JINZZOJOYPLSPW-UHFFFAOYSA-N 279.424 3.541 30 20 CHED C=CCC1(C(=O)NCC2(c3ccccc3OC)CC2)CCC1 276555706 BMGCXWSMZGCVST-UHFFFAOYSA-N 299.414 3.589 30 20 CHED Cc1cccc2c1CCN2C(=O)c1ccc(Cl)c(C#N)c1 612465177 RLUMFQGMMAFVII-UHFFFAOYSA-N 296.757 3.723 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1cccc([N+](=O)[O-])c1 619744383 ZARUSASUMQBGLY-HNNXBMFYSA-N 284.340 3.822 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCC(C)(C)C1 542871047 RKVRSIUWSVEQOA-AWEZNQCLSA-N 275.392 3.663 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@@H]1CCC[C@H](C)C1 540463483 NVSNVDUISGFMFM-JKSUJKDBSA-N 281.440 3.787 30 20 CHED CCC[C@@H](NCc1cccc(C#N)c1)[C@H](O)c1ccccc1 279730308 VXIGAOLIRKRYIW-RTBURBONSA-N 294.398 3.550 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3OC[C@H]2C)CCC1 365172863 WISOPIDVUULCPV-CQSZACIVSA-N 285.387 3.543 30 20 CHED CC(C)Oc1ccccc1CNc1cccc(OCC#N)c1 272650904 MYIQJAZFEFOPDL-UHFFFAOYSA-N 296.370 3.988 30 20 CHED Cc1ccnc(N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1C#N 542205978 TZAKELSBXNFOFX-LZWOXQAQSA-N 269.392 3.667 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCSC1 369492850 WYDSPQLGZYCDHO-UAGQMJEPSA-N 286.444 3.511 30 20 CHED CC1=CCCN(c2nc3ccccc3c(C)c2C#N)C1 450500933 ORDAFFNNVANKJO-UHFFFAOYSA-N 263.344 3.571 30 20 CHED C=CCN(C(=O)CCc1ccc(OCC)cc1)C(C)(C)C 622943880 VHTPJXCRNOLYFT-UHFFFAOYSA-N 289.419 3.831 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](CCC#N)c1ccccc1 454729425 XUIZHOFEDZBOIX-HNNXBMFYSA-N 285.391 3.543 30 20 CHED Cc1c(F)ccc(Cl)c1NC(=O)CC(C)(C)C#N 279270776 VIXUYZJOLFLWSO-UHFFFAOYSA-N 268.719 3.666 30 20 CHED C=CCC1(C(=O)N[C@H]2COc3ccc(F)cc32)CCCC1 450661051 MTRAEBCFCWMJSK-AWEZNQCLSA-N 289.350 3.512 30 20 CHED Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)c(Cl)c1 468773066 BAUYLTDBJHCRQX-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC[C@H](c2ccccc2)CC1 375666511 WMWCATHIZNCLCP-FUHWJXTLSA-N 284.403 3.723 30 20 CHED CC(C)[C@@H](C)N(C(=O)[C@H](C)c1cccc(C#N)c1)C1CC1 463394289 QIEGDMGNNYTIRP-ZIAGYGMSSA-N 284.403 3.697 30 20 CHED C=CCN(Cc1ccc(F)cc1C(F)(F)F)C1CC1 543621592 VKVCGXOMPFVIMC-UHFFFAOYSA-N 273.273 3.995 30 20 CHED Cc1cc(F)cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 462243134 AOMVGCIIVOPQOT-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C=CCCOCC(=O)N[C@H](CC(C)(C)C)c1ccccc1 620190948 CZYVZYHSDHVQKV-MRXNPFEDSA-N 289.419 3.873 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 557060860 FYSGAUDVOKXRRH-DGCLKSJQSA-N 283.375 3.507 30 20 CHED CC[C@](C)(C#N)C(=O)N(Cc1ccccc1F)CC(C)C 288141450 ALVRDKRZMWOQRO-QGZVFWFLSA-N 290.382 3.750 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(NC2CCCC2)c1 287688823 SNXRVWXROKNAHG-KRWDZBQOSA-N 285.391 3.919 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@H](Cc2ccccc2)C1 468857791 GMXQMEMVIXOZSB-MRXNPFEDSA-N 294.373 3.762 30 20 CHED C=C[C@@H](CC(=O)N[C@H](c1ncc[nH]1)C(C)C)c1ccccc1 283034106 OWCDJIQOWOIELJ-YOEHRIQHSA-N 297.402 3.583 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(Cl)ccc1NCC 467691974 QSUYUJKXLJRTKN-LBPRGKRZSA-N 280.799 3.856 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCc2ccccc2C1 466382700 HYNYWPAEMRULKR-IRXDYDNUSA-N 286.419 3.540 30 20 CHED COc1cc(NCc2ccc(C#N)c(C)c2)cc(OC)c1C 552279653 YNXKEOKPKNJWBQ-UHFFFAOYSA-N 296.370 3.804 30 20 CHED CC(C)CO[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C 557807224 DXVPVZVCXMDCHV-GJZGRUSLSA-N 292.448 3.549 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1[C@H]1CCC[C@H](C)C1 639402791 CCQPDZYDTAZNHG-ZQIUZPCESA-N 284.403 3.893 30 20 CHED C=CCOc1cccc(CNc2ccc(C)c(C(=O)O)c2)c1 551054883 BFQIFWJMVYOSHH-UHFFFAOYSA-N 297.354 3.870 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(C#N)cc2)cn1 806565303 MRWUNKAVPKPJMP-RMKNXTFCSA-N 291.354 3.542 30 20 CHED Cc1cc(=N[C@H](C)c2cc3cccc(F)c3o2)cc(C#N)[nH]1 557684228 DTRSLQZSQHXGQF-LLVKDONJSA-N 295.317 3.742 30 20 CHED Cc1cc(O[C@@H](C)c2cccc(C#N)c2)ccc1C#N 478826557 QMFHRERGNQEZST-ZDUSSCGKSA-N 262.312 3.878 30 20 CHED N#Cc1cccc(CN(C#N)c2cccc(Cl)c2)c1F 478737332 LMXKYHPEDLBYBS-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C=CCN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 473172010 IEKSXBPXKWABTH-CYBMUJFWSA-N 287.350 3.981 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)CC(C)(C)C#N 560569487 JWRHZAUXWYEMKD-UHFFFAOYSA-N 270.298 3.687 30 20 CHED N#Cc1cccc(N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)n1 561357512 FCOFUKJHWZRIKW-KSZLIROESA-N 289.382 3.726 30 20 CHED C=CCC1(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)CCC1 477814236 GCWOTVAGESHHHB-LLVKDONJSA-N 290.432 3.953 30 20 CHED N#Cc1cc(=N[C@@H]2CCC[C@H](c3ccccc3)C2)cc[nH]1 561339835 DBJUNJCVIMVASA-JKSUJKDBSA-N 277.371 3.513 30 20 CHED CC#CCN(C)C(=O)c1oc2c(ccc3ccccc32)c1C 565324298 DONRZWOCDROFOV-UHFFFAOYSA-N 291.350 3.990 30 20 CHED Cc1cc(C)nc(C(=O)N(C)c2cc(Cl)ccc2C#N)c1 800911849 LXMHUWPWPAPGCE-UHFFFAOYSA-N 299.761 3.500 30 20 CHED CC(C)c1cnc(NC(=O)[C@@]2(C#N)CC23CCCC3)s1 294985034 ODYRKUKVMLCSCO-HNNXBMFYSA-N 289.404 3.679 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)Cc1ccc(C)s1 292819887 OKPLKOIXVHWVKH-NSHDSACASA-N 265.422 3.706 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(=Cc3ccccc3F)CC2)C1 292738013 HCMGVGSVQNFNBA-DOTOQJQBSA-N 284.378 3.997 30 20 CHED C=CCCCCCCNC(=O)N(C)C1CCC(OC)CC1 807571335 JFLKWZCFKMTXKE-UHFFFAOYSA-N 296.455 3.722 30 20 CHED CCC[C@H](C(=O)OCCCC1(C#N)CCOCC1)C(C)C 800191852 IOQLRVMXWUOQQL-HNNXBMFYSA-N 295.423 3.702 30 20 CHED CC(C)n1cc(/C=C2\C(=O)c3ccccc3[C@@H]2C)cn1 290026530 XRVQNJNFCIQQBG-LUMBYOQCSA-N 266.344 3.847 30 20 CHED N#CCc1cccc(NC(=O)c2csc3c2CCCC3)c1 399865041 SKQIHAYSQOEIMU-UHFFFAOYSA-N 296.395 3.945 30 20 CHED CC(=NN[C@@H]1CCSC1)c1ccc2c3c(cccc13)CC2 808003627 RGNBNUOQMBEXFT-OAHLLOKOSA-N 296.439 3.758 30 20 CHED C=CCN(C(=O)c1cc(F)c(O)c(F)c1)c1ccccc1 647742044 YGWCOVXVQZAQKV-UHFFFAOYSA-N 289.281 3.503 30 20 CHED N#Cc1ccccc1SCc1cc(Br)no1 813572071 JCTUODAYQLNPBG-UHFFFAOYSA-N 295.161 3.601 30 20 CHED CCCCCCCC(=O)NCC1(OCC)CCCC1 818261177 HQHOLFHEIVVRNT-UHFFFAOYSA-N 269.429 3.812 30 20 CHED C=CC1CCN(c2cc(C(F)F)nc(SC)n2)CC1 565548628 LQOONIPGSFDMQW-UHFFFAOYSA-N 285.363 3.539 30 20 CHED Cc1c[nH]nc1C=NN[C@@H](C)c1ccc(C(C)C)cc1 814811816 VDDJZACNOREOCB-ZDUSSCGKSA-N 270.380 3.526 30 20 CHED COc1ccc2oc(C=NOC/C=C\Cl)cc2c1 811671994 NJXPJIUAEHOGNY-IVGNANKVSA-N 265.696 3.544 30 20 CHED CCCC[C@H](C)N(C)c1snc(Cl)c1C#N 811866557 GJTJKYBZMCANBM-QMMMGPOBSA-N 257.790 3.683 30 20 CHED CC(C)(C)c1ccc(NC[C@H](C#N)CCC#N)cc1 579629788 KGDBDLMSIQBKJY-ZDUSSCGKSA-N 255.365 3.840 30 20 CHED COCC(=NOC1CCCC1)c1ccc(Cl)cc1 814894380 LYBWSAIIXLJJDK-UHFFFAOYSA-N 267.756 3.650 30 20 CHED COc1ccncc1C/N=C\c1c(O)ccc2ccccc12 814183447 IVUZXWMEPZSAFU-NDENLUEZSA-N 292.338 3.568 30 20 CHED N#C[C@H](C(=O)C1CCCCC1)c1cc(C(F)(F)F)ccn1 813218600 YBMMCASCRILECD-LBPRGKRZSA-N 296.292 3.857 30 20 CHED N#CCC[C@@H](C#N)CNc1cccc(C2CCC2)c1 570017200 DFRKHIAJWHLXDU-ZDUSSCGKSA-N 253.349 3.810 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1coc2cc(F)ccc12 488874409 CLJSFNIAGAETAR-CQSZACIVSA-N 287.334 3.682 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2 488817415 ORZBSLHQYDVKPN-QFQXCOSMSA-N 273.420 3.770 30 20 CHED CC(C)Oc1ccccc1C(=O)Oc1ccc(C#N)cc1 729944795 NVLKXODQIBVKHX-UHFFFAOYSA-N 281.311 3.565 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccc(O)c(C)c1 728231949 OPQUQTZFYJFCSK-DHZHZOJOSA-N 282.339 3.995 30 20 CHED C#CCC[C@@H](C)OC(=O)CCc1cccc(OC(F)F)c1 821376343 XCMXEHXIAIIILK-GFCCVEGCSA-N 296.313 3.566 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCC1=CCCCC1 491579916 WCVMPVSEQPCIRZ-HNNXBMFYSA-N 262.397 3.627 30 20 CHED N#Cc1ccc(C(=O)Nc2nc(C3CCC3)cs2)s1 579192529 OMAZFKWWGRNZEV-UHFFFAOYSA-N 289.385 3.596 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC2=CCCCC2)cc1 824538808 TUJYDBHDVVWGEQ-AWEZNQCLSA-N 270.376 3.567 30 20 CHED Cc1[nH]c(=NCc2ccc(C#N)cc2)ccc1-c1ccccc1 577327688 BXOXKEVZCFNRTM-UHFFFAOYSA-N 299.377 3.963 30 20 CHED CC(CSC(C)(C)C)=NNc1oc(C(C)C)nc1C#N 729638810 GQUHCSYEFWHQTI-UHFFFAOYSA-N 294.424 3.989 30 20 CHED C#CCC[C@H](C)OC(=O)CCc1cccc(OC(F)F)c1 821376344 XCMXEHXIAIIILK-LBPRGKRZSA-N 296.313 3.566 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CCC)CC(C)C 572866727 OCGFIZGJIGHWHR-CQSZACIVSA-N 254.418 3.809 30 20 CHED C=CCCCCN[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 724103304 PJAWCHZCYQOULE-GJZGRUSLSA-N 296.455 3.626 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)[C@H](O)CCCC3)C1 827024269 BTKHSTZQDMHNKX-DDUZABMNSA-N 284.403 3.941 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C3CC3)ccn2)C1 823471030 JUNYXBRGPVXOFO-ZDUSSCGKSA-N 285.391 3.779 30 20 CHED O=C(/C=C\c1ccc(F)cc1Cl)c1ccncc1 588386398 NIXXODXYAVEJSW-RQOWECAXSA-N 261.683 3.770 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cccc(CCC(F)(F)F)c1 491191943 JKNJYBGARRRUQW-GFCCVEGCSA-N 298.308 3.715 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C)cc1NCC 490376178 QKFFJPDVNNMKLC-UHFFFAOYSA-N 283.375 3.667 30 20 CHED CCN(CC)c1ccc(CN2CCC[C@@H](CC#N)C2)cc1 826861143 BCGIPKOVVTVWIG-INIZCTEOSA-N 285.435 3.658 30 20 CHED C=CCCOC(=O)C(C)(C)c1cccc(Cl)c1 737324193 ATLNWUXHOPMBIV-UHFFFAOYSA-N 252.741 3.737 30 20 CHED N#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccn1 826715932 SZCHUZHJNBJGHV-HRCADAONSA-N 297.402 3.545 30 20 CHED CC#CCCNC(=O)Nc1cc(Cl)c(F)c(Cl)c1 494891016 OWNJYQDUHHRJDY-UHFFFAOYSA-N 289.137 3.667 30 20 CHED C#CC1CCN(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)CC1 826872984 CKSCXLWGKOOJGP-AWEZNQCLSA-N 296.414 3.680 30 20 CHED C=CCCCCCN[C@H](C(=O)O)c1cc(C)cc(C)c1 905390672 JWOYWVDDTUZKNR-INIZCTEOSA-N 275.392 3.765 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc3cc[nH]c3c2)no1 903643742 ADRJEIXKUMXFKA-ZFWWWQNUSA-N 295.342 3.667 30 20 CHED CCc1ccc(C(=O)Nc2scc(C)c2C#N)cc1 581214869 JXAGBSSDRDIMMT-UHFFFAOYSA-N 270.357 3.743 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)c1ccsc1)c1ccncc1 737854696 KVUGWODYQGIIMG-IUODEOHRSA-N 286.400 3.680 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)c1cccnc1C#N 589556255 JFLJCOSTPFGMMI-UHFFFAOYSA-N 292.169 3.896 30 20 CHED CC[C@@H]1c2ccsc2CCN1C(=O)C#CC(C)(C)C 837343288 IBKJLBCLVLIUAL-CYBMUJFWSA-N 275.417 3.633 30 20 CHED C=CCC1(NC(=O)Nc2nnc(CCC)s2)CCCC1 665278849 PVASQEWFWYZHIC-UHFFFAOYSA-N 294.424 3.501 30 20 CHED C#CCC[C@@H](C)OC(=O)C[C@@H](C)c1ccc(OC)cc1 839037816 UUUFXOXIJZFLIX-ZIAGYGMSSA-N 274.360 3.534 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 835160591 XOKUTTQIQYBTQL-HZPDHXFCSA-N 271.360 3.807 30 20 CHED C#CCN(C(=O)NC[C@H](C)C(C)(C)C)C1CCCCC1 734673927 PUORIECOPPICLM-AWEZNQCLSA-N 278.440 3.646 30 20 CHED CC[C@H](Nc1ncc2c(c1C#N)CCC2)c1c(C)noc1C 581007946 MEKFGYHAITUMKD-HNNXBMFYSA-N 296.374 3.610 30 20 CHED C=CCC1(C(=O)Oc2ccc(CC(C)=O)cc2)CCCC1 835471001 PFYJOVGKZIBDEP-UHFFFAOYSA-N 286.371 3.860 30 20 CHED C=C(CNC(=O)C[C@H](C)CC(C)C)c1ccccc1 672482660 QULQSPXRAKKFEV-CQSZACIVSA-N 259.393 3.888 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2cc(C)c(C)o2)cc1 834893776 XLKQMMYTLBLNKS-AWEZNQCLSA-N 283.371 3.759 30 20 CHED C#CCOc1cccc(NC(=O)N[C@@H](C)CCC(C)C)c1 731110880 HYLGLMXCTOPYJY-AWEZNQCLSA-N 288.391 3.645 30 20 CHED C#CCC[C@@H](C)OC(=O)Cc1cccc(C(F)F)c1 839037481 CNYGNKGQOUSBAI-LLVKDONJSA-N 266.287 3.512 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)CC2CC(F)(F)C2)n1 835200120 FZOCJPMGPPHESO-JTQLQIEISA-N 298.358 3.878 30 20 CHED CC(=NNC(=S)Nc1ccccc1C)c1cccs1 915920837 JTFJURPKGLAZGG-UHFFFAOYSA-N 289.429 3.767 30 20 CHED CCCCCC[C@](C)(CC)C(=O)N(C)[C@H](C)C#N 839366792 KUGXSMPBRGRRBJ-HIFRSBDPSA-N 252.402 3.744 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 839892760 ZWSUPLWCYMNQGU-QWRGUYRKSA-N 259.340 3.529 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCC#N 916742594 BAPVCQCEABJLDA-WBVHZDCISA-N 299.418 3.658 30 20 CHED C=CC[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1 839059647 QMLMHLIUWDWJMS-XIRDDKMYSA-N 283.371 3.972 30 20 CHED N#Cc1ccc2c(c1)CCCC2=NNc1ncccc1Cl 743438168 KJIOUKLHJOHTHL-UHFFFAOYSA-N 296.761 3.759 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@]1(C)CC1(Cl)Cl 832846008 YKJBWZGJEGXZQT-GFCCVEGCSA-N 278.223 3.679 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839057903 YTMNKPHZNWQWDW-VNHYZAJKSA-N 289.350 3.630 30 20 CHED COc1ccc(S[C@H](C#N)C2CC2)cc1Br 919615760 FWTAVLMIGVDSGX-GFCCVEGCSA-N 298.205 3.852 30 20 CHED CCOc1cccc(C=NNc2ncnc3sccc23)c1 915954711 JXMQCYXJYRCXPL-UHFFFAOYSA-N 298.371 3.536 30 20 CHED CCCCC(=O)N(c1ccc(C#N)cc1)C1CCC1 598884941 BZNSDPSNZMBJBG-UHFFFAOYSA-N 256.349 3.634 30 20 CHED C=C(C)CCOC(=O)/C=C(/C)Cc1ccccc1OC 744303154 ORAJNZOXWTYCPU-OWBHPGMISA-N 274.360 3.693 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(F)cc2OC)c1 914557259 FGQXPVRJMXEUKQ-UHFFFAOYSA-N 289.306 3.689 30 20 CHED O=C1/C(=C\c2ccnn2CC2CC2)CCc2ccccc21 849241713 LQYGTTBSWUGUPM-PTNGSMBKSA-N 278.355 3.506 30 20 CHED CCCCCCCCCC(=O)N1CCOc2ncccc21 748758522 USERCIMUFDKUQK-UHFFFAOYSA-N 290.407 3.948 30 20 CHED C=C[C@H](C)N[C@@H](C)c1oc2ccc(OC)cc2c1C 675933598 IEGIIOYIZBNPTI-JQWIXIFHSA-N 259.349 3.975 30 20 CHED CC(C)CON=Cc1ccc(OCc2ccncc2)cc1 749632034 UUKPIXBOBLYVPR-UHFFFAOYSA-N 284.359 3.667 30 20 CHED C=CCN(C)C(=O)C(F)(F)c1cccc(Cl)c1Cl 843581164 JOILRJAAVYYTEC-UHFFFAOYSA-N 294.128 3.730 30 20 CHED CCC[C@H](C(=O)N(C)[C@@H](C#N)CC)c1ccc(Cl)cc1 598849599 FXKUZVRMJLOAFB-CABCVRRESA-N 292.810 3.984 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 597178491 YNPMJTQMFDCMLY-NSHDSACASA-N 298.308 3.537 30 20 CHED CCN(CCC#N)C(=O)C1(c2ccccc2Cl)CCC1 593417367 SJMVVSYLOKKWPU-UHFFFAOYSA-N 290.794 3.524 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C(C)=O)c(C)c2)C1 912389165 QELKMHQGVGCQKJ-HNNXBMFYSA-N 285.387 3.626 30 20 CHED C#CCN(C(=S)N[C@H]1CCCC[C@H]1C)C1CCCCC1 743584681 CBUXFBYIFKWCBQ-ZBFHGGJFSA-N 292.492 3.708 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[C@H](C#N)C1 595045069 QXNWGHGPZQPGEE-CWRNSKLLSA-N 276.811 3.943 30 20 CHED C[C@@H](CCC#N)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 599516428 UDCKAZFNQCGXFG-GXTWGEPZSA-N 278.346 3.836 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 593457050 IGJAASBMSXJREV-LLVKDONJSA-N 285.372 3.607 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCC(C)(C)C 594055951 QIIZBNJRYLCKSO-CQSZACIVSA-N 286.419 3.631 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 594346289 YCGZZBUQZFYXNC-MAUKXSAKSA-N 298.430 3.631 30 20 CHED C=CCCOCc1nc(-c2cccc(Cl)c2F)no1 683581232 ZSVNIDZBBXRZAX-UHFFFAOYSA-N 282.702 3.622 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(C)cc1F)c1ccncc1 749391783 PCTJMAZDZUCJQS-MRXNPFEDSA-N 284.334 3.576 30 20 CHED Cc1ccc(C#N)c(Sc2nc(C(C)C)cs2)n1 593496886 XMXNTOJQTFIBLN-UHFFFAOYSA-N 275.402 3.993 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)c(OC)c(OC)c1 844845782 OCYQUPQIOKLGNE-UHFFFAOYSA-N 283.755 3.652 30 20 CHED CCCCCCCC(=O)OCC(=O)c1cccc(C#N)c1 748260629 VKBMTGSVRMBFBN-UHFFFAOYSA-N 287.359 3.645 30 20 CHED C#CC[C@H](NC(=O)N1C[C@@H](C)C[C@H]1CC)c1ccccc1 757063202 XRBIGAGNSJQGRW-UAGQMJEPSA-N 284.403 3.581 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1(Cc2ccccc2)CC1 926204925 CSNLEVWMRYBRLA-AWEZNQCLSA-N 256.393 3.680 30 20 CHED CSCCCCc1noc(-c2cc(C#N)ccc2C)n1 924173438 BWDXLFAPGWUXLU-UHFFFAOYSA-N 287.388 3.602 30 20 CHED Clc1cc(C=NO[C@H]2CCCCO2)c2ncccc2c1 755823220 XQDQBQIMHLKDBM-AWEZNQCLSA-N 290.750 3.765 30 20 CHED C#CCCCC(=O)OCCc1ccc2ccccc2c1 759172975 DIKWEFUIHMOUGM-UHFFFAOYSA-N 266.340 3.729 30 20 CHED C=CCC1(O)CCN(C(=O)C(C)(C)C2CCCCC2)CC1 924434806 NHNAKCWTRFWCGN-UHFFFAOYSA-N 293.451 3.523 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC1(c2ccccc2)CC1 924622149 ZMAROAKDFDEAGN-AWEZNQCLSA-N 256.393 3.636 30 20 CHED C=C[C@H](OC(=O)C[C@@H]1CSCCS1)c1ccccc1 851451215 FTIAZLHVKHLEFC-KGLIPLIRSA-N 294.441 3.696 30 20 CHED CC(=NNCc1ccc(C(F)(F)F)cc1)c1ccoc1 755889848 ILVMVAIRDFHKRJ-UHFFFAOYSA-N 282.265 3.812 30 20 CHED C=CC1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 853312359 RMKJBVREVSYPEI-UHFFFAOYSA-N 282.290 3.935 30 20 CHED C#CC[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1 756953708 QAEHITPOFARRAL-AWEZNQCLSA-N 281.746 3.783 30 20 CHED CCCCC=NNc1nc(C(F)(F)F)cs1 755770937 PZBVBWJPDNAKMW-UHFFFAOYSA-N 251.277 3.750 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(Cl)cc1C)OCC 755430965 QOVZSCCIFKUJCQ-CQSZACIVSA-N 282.767 3.925 30 20 CHED C#CCCCCNC(=O)N1CCCCC[C@@H]1CC(C)C 758890113 XYXAQDJWDJIMMQ-MRXNPFEDSA-N 278.440 3.790 30 20 CHED C=CCN(C(=O)c1ccc(N(CC)CCC)cc1)C(C)C 751080598 XXDFZEDTSWCXQW-UHFFFAOYSA-N 288.435 3.960 30 20 CHED CC(C)(C)C1CCN(N=Cc2cnc(C3CC3)o2)CC1 863107741 ZIQJCSOVIQUNDT-UHFFFAOYSA-N 275.396 3.644 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccn2)C2CC2)c(Cl)c1 932381854 FESKEEOVUHATHT-QGZVFWFLSA-N 297.789 3.848 30 20 CHED CCc1oc2ccccc2c1CC(=O)OC1(CC#N)CCC1 860745743 UDVSQKHSNXWRJG-UHFFFAOYSA-N 297.354 3.917 30 20 CHED C=CCN(C(=O)Cc1ccc(C)cc1Cl)C(C)C 762191474 QWLQNOXIZYVFDY-UHFFFAOYSA-N 265.784 3.614 30 20 CHED CC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C1CC1 1163745237 VCRYRWFYDROPJQ-ZDUSSCGKSA-N 257.381 3.851 30 20 CHED C#CCN(C(=O)CCc1ccc(-c2ccccc2)o1)C1CC1 763801417 RGRRDPZJOQGLMS-UHFFFAOYSA-N 293.366 3.503 30 20 CHED C#CCCCCCOC(=O)/C=C/c1ccc2[nH]ccc2c1 760269567 YASFPZHFFPRSQY-CSKARUKUSA-N 281.355 3.918 30 20 CHED Cc1cc(NN=C2CCCc3ccc(Cl)cc32)ncn1 761259079 PRSDPBAWAYSTSY-UHFFFAOYSA-N 286.766 3.591 30 20 CHED Cc1cc(NC(=O)NC[C@H](C)C#N)ccc1-c1ccccc1 762948435 LARMQHLITRIPPO-CYBMUJFWSA-N 293.370 3.943 30 20 CHED N#Cc1cccc(Br)c1S[C@@H]1CCCOC1 865666244 DJFUPGDWRZEPBA-SNVBAGLBSA-N 298.205 3.592 30 20 CHED COCCCC(C)=NNc1cccc(F)c1Cl 863158602 ISIVCHJMMSHWLS-UHFFFAOYSA-N 258.724 3.694 30 20 CHED CC(CCc1ccsc1)=NNc1cc(C)nc(C)n1 764904591 NBWKPZOVULEJLI-UHFFFAOYSA-N 274.393 3.576 30 20 CHED CC[C@@](C)(C#N)c1nnc([C@@H](C)Oc2ccccc2F)o1 1118367446 MYVGXDLWRWIFHX-BMIGLBTASA-N 289.310 3.540 30 20 CHED C[C@H](CC#N)NCc1cc2cc(Cl)ccc2nc1Cl 878820157 IAWREUNFKDTCTA-SECBINFHSA-N 294.185 3.933 30 20 CHED CCCC(CCc1ccccc1)=NN=c1cc[nH]cc1 779811782 VDZRFGQSSBKDLL-UHFFFAOYSA-N 267.376 3.704 30 20 CHED COc1cccc(NN=C2CC(c3ccccc3C)C2)n1 779819412 PMSDSXAGLJIIJN-UHFFFAOYSA-N 281.359 3.744 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1cnccc1C 771561196 SVPZQLMUYQGEHN-UHFFFAOYSA-N 279.265 3.643 30 20 CHED C#C[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1F 877517236 MTKPDXPNPAOUGP-SWLSCSKDSA-N 295.785 3.701 30 20 CHED N#CC1(COC(=O)c2ccc3c(c2)-c2ccccc2C3)CC1 775836712 QUCMQIUKOSJCDD-UHFFFAOYSA-N 289.334 3.718 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NOC1CCCCC1 777457594 XROGRHGDGKGUJC-UHFFFAOYSA-N 277.412 3.938 30 20 CHED CC(C)[C@@H](C#N)C=NNc1cccc(C(F)(F)F)c1 1117740881 GSGXKUFWEMILAV-JTQLQIEISA-N 269.270 3.899 30 20 CHED CC[C@H](NC1CCC(C)(C#N)CC1)[C@H](O)c1ccccc1 872132421 HPOPSKJDZNNTBZ-JDEYZFBPSA-N 286.419 3.561 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1cc2ccccc2[nH]1 1117736367 JYIMPDSUEGVVPM-UHFFFAOYSA-N 299.418 3.912 30 20 CHED CC(=NNC[C@@H](C)C#N)c1ccc(Oc2ccccc2)cc1 771106040 AHQIAVSUCZIVGG-AWEZNQCLSA-N 293.370 3.952 30 20 CHED C#CCCCCC(=O)NCC(C)(C)c1ccc(CC)cc1 773306948 FBLIYRUIBPHJSK-UHFFFAOYSA-N 285.431 3.836 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccccc1NCc1ccccc1 776097930 VUIVRYLIVZBSMK-HNNXBMFYSA-N 294.354 3.758 30 20 CHED N#Cc1c(Cl)nsc1N1C2CCCC1CCC2 771224949 QGXRWYWZALOOGW-UHFFFAOYSA-N 267.785 3.580 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2)[C@H]1Oc1ccccc1 774313957 WFVCEMHFOVWZTB-ZWKOTPCHSA-N 296.370 3.711 30 20 CHED Cn1ccc(/C=C2\Cc3cc(Cl)cc(Cl)c3C2=O)n1 773153240 JFFFNPMLXPHBMM-RMKNXTFCSA-N 293.153 3.549 30 20 CHED Brc1cc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)cs1 774593007 KFIBNIQRUQDTAU-LSJOCFKGSA-N 299.237 3.623 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C(F)F)n1CC(=C)C 1122549036 RMEZVBNCKGJUFB-LBPRGKRZSA-N 296.365 3.727 30 20 CHED C#CCCCCCC(=O)Nc1cnn(-c2ccccc2F)c1 779984133 QEJPKEFSWFLPPA-UHFFFAOYSA-N 299.349 3.534 30 20 CHED C=C[C@@H](C(=O)N[C@H](C)c1ncc(C)s1)c1ccccc1 1123657375 RASAUGNUHNOPOI-TZMCWYRMSA-N 286.400 3.599 30 20 CHED C=C(CC(C)C)C(=O)NC1(c2ccc(F)cc2)CC1 1123557322 PTZVJKNCAXLPBR-UHFFFAOYSA-N 261.340 3.533 30 20 CHED CCCC[C@H](CC)CNC(=O)c1csc(C#N)c1 1124135285 VCZKDSWPKDLJGL-NSHDSACASA-N 264.394 3.566 30 20 CHED C#CCCCCCc1nc(-c2cccc(C)c2F)no1 784199768 OGONLDMRWKNSII-UHFFFAOYSA-N 272.323 3.920 30 20 CHED CC(C)C1CCC(=NN[C@@H]2CCOC(C)(C)C2)CC1 780241773 VTQKJHMOWYEGFD-AWKYBWMHSA-N 266.429 3.736 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(F)c(NC(=O)OC)c1 888760218 OVPBXZVKWAGXQA-UHFFFAOYSA-N 294.326 3.545 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2cncs2)c1 787170710 AKPRMFCBRWTGHT-VOTSOKGWSA-N 273.357 3.828 30 20 CHED CCc1cnccc1C(=O)/C=C/c1scnc1C1CC1 782352156 QXPKEOGGZXZGHI-AATRIKPKSA-N 284.384 3.874 30 20 CHED CC1(C)C(=NNCCc2ccccn2)C[C@H]1c1ccccc1 789112847 NJZHLUCTIGJWLR-KRWDZBQOSA-N 293.414 3.783 30 20 CHED CCCCC[C@@H](C(=O)N1CCC(CC#N)CC1)C(C)C 782052804 HJRLRPSHSHEUFE-MRXNPFEDSA-N 278.440 3.991 30 20 CHED CCC1(CNC(=O)c2cc(C#N)ccc2F)CCCCC1 1127796583 NLMDDJGDHNQWFJ-UHFFFAOYSA-N 288.366 3.788 30 20 CHED C#CCOc1cccc(OCCCCOC(C)(C)C)c1 788785900 HOUOMBQIGMGPAH-UHFFFAOYSA-N 276.376 3.673 30 20 CHED CC(C)=CCC/C(C)=C/C=NOC[C@H]1CCOC1 788036768 MSKPHGIVGSMTLM-YAWWYZRYSA-N 251.370 3.718 30 20 CHED Cc1ccc2sc(N3CCC[C@H](C#N)C3)nc2c1C 895648976 VXRCJXVQNCCQAX-GFCCVEGCSA-N 271.389 3.653 30 20 CHED C#CCN(Cc1ccccc1C(F)(F)F)CC1CC1 753205323 WMHAPHGUPWAHRY-UHFFFAOYSA-N 267.294 3.551 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NOC2CCOCC2)C1 780242033 YWAPRMKSHDQJQG-QGZVFWFLSA-N 273.376 3.680 30 20 CHED O=C(/C=C\c1cnc(-c2ccco2)s1)c1ccncc1 789128448 TXGGQWUUYVJEAV-ARJAWSKDSA-N 282.324 3.694 30 20 CHED CCCCCC(=O)Oc1c(Cl)cc(C#N)cc1OC 896814180 BFEWQFVJQPABIO-UHFFFAOYSA-N 281.739 3.706 30 20 CHED C=C1CCC(C(=O)N2Cc3cccc(Cl)c3C2)CC1 890941007 JOCIXYOVHSJDMG-UHFFFAOYSA-N 275.779 3.929 30 20 CHED N#Cc1cccc(N(C(=O)c2ccccc2)C2CCC2)c1 1131153039 QJKDKKYJJIAFLK-UHFFFAOYSA-N 276.339 3.758 30 20 CHED CC(=NNc1cnn(C)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788442851 QPBKOMCCASXTLV-WDEREUQCSA-N 294.811 3.727 30 20 CHED C=CCCCC[C@@H](C)NCCOC1CCSCC1 898441325 SSCANCJWMQLBER-CQSZACIVSA-N 271.470 3.623 30 20 CHED CC(=O)Nc1ccc(C(C)=NNc2ccc(F)cc2)cc1 781571228 IUXISVPQIXKKNP-UHFFFAOYSA-N 285.322 3.620 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCCCCC(C)C 798040599 SNYIRGFPEPLFEJ-DOTOQJQBSA-N 281.440 3.690 30 20 CHED CC1(CNN=C/C=C\c2ccccc2[N+](=O)[O-])CCCC1 793083602 BMMBTDMYGLJSRX-UCBKFULHSA-N 287.363 3.764 30 20 CHED CC[C@@H](CC#N)OC(=O)c1sc2ccc(C#N)cc2c1C 797147549 RTYNUQGWGJFJQK-LBPRGKRZSA-N 298.367 3.930 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc2c(c1)COC2 793161872 MGWBVMMLHVCJGJ-UHFFFAOYSA-N 287.750 3.601 30 20 CHED CC[C@H](C)NN=C(C)c1sc(-c2cccnc2)nc1C 790189951 SVIJGDQDUADTTQ-JTQLQIEISA-N 288.420 3.626 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2C(F)(F)F)no1 791431829 KQIREKZLSKPJMI-VOTSOKGWSA-N 281.233 3.898 30 20 CHED CCCc1c(NCC(C)C)cnn1-c1cccc(C#N)c1 1202059573 XGWQELUHXCVMTI-UHFFFAOYSA-N 282.391 3.764 30 20 CHED COc1cc(/C=C\C(=O)c2cc(C)c(C)o2)ccc1C#N 799895651 QXGSSIQXPPPEFD-ALCCZGGFSA-N 281.311 3.673 30 20 CHED CC(C)CN(C[C@@H](O)c1ccccc1)c1ccc(C#N)cc1 791473771 SGPIYXYGHCAVLV-LJQANCHMSA-N 294.398 3.754 30 20 CHED COc1cc(NN=Cc2ccnn2C(C)C)ccc1Cl 794536653 BRHYZEMSJHOBQK-UHFFFAOYSA-N 292.770 3.572 30 20 CHED CCc1cccc(Cl)c1C=NNc1ncccc1F 794991202 WOOCBGKELNPWMD-UHFFFAOYSA-N 277.730 3.883 30 20 CHED Cc1csc2ncnc(N(C)Cc3ccc(C#N)cc3)c12 1166538094 RXNOOFNEHGEAER-UHFFFAOYSA-N 294.383 3.508 30 20 CHED CCC[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)C(C)C 1535145414 BXMHPJDCYYLLKW-CQSZACIVSA-N 262.328 3.708 30 20 CHED CCOc1cccc(Cl)c1CN1CCC[C@](C)(C#N)C1 1307601400 HQTOGRPNHGGVHY-MRXNPFEDSA-N 292.810 3.864 30 20 CHED C=C(Cl)C[S@@](=O)Cc1cnc(-c2ccccc2)s1 1319623697 VOUJYHUXAPKWJJ-GOSISDBHSA-N 297.832 3.811 30 20 CHED C=C(Br)CSc1ncc(C)cc1C 1166516724 BSSGJSIGLBCDKZ-UHFFFAOYSA-N 258.184 3.699 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H]2CCCC[C@H]2C1 1319164849 UGUATLDBUKTMBO-HOCLYGCPSA-N 261.409 3.794 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1cccc(C#N)c1 1197550128 OAVGMTFPSBEUMI-BLLLJJGKSA-N 271.364 3.649 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(C)cc(Cl)cc1C 1323048535 LDFOLCVJMDNEBA-ZDUSSCGKSA-N 278.783 3.880 30 20 CHED C=C(C)CCN1CCC[C@@H](CN2CCCC[C@@H]2C)C1 509702515 ZQWJYLOWOXTUHD-DLBZAZTESA-N 264.457 3.539 30 20 CHED C[C@@](C#N)(NC(=O)CC(C1CC1)C1CC1)C1CCCCC1 1322882467 HPLXEXWNVFHRQY-SFHVURJKSA-N 288.435 3.791 30 20 CHED C=CCN(C)C(=O)Nc1ccc(C)c(Cl)c1Cl 1321516821 MTPWEYYDRVSSDI-UHFFFAOYSA-N 273.163 3.952 30 20 CHED COc1cc(C#N)ccc1CSCc1scnc1C 1324221441 OQMWPLMJQVQTOL-UHFFFAOYSA-N 290.413 3.765 30 20 CHED COc1ccc(Cl)c(CN(CC#N)C2CCCC2)c1 192034565 KMCWDVQNFKPNLZ-UHFFFAOYSA-N 278.783 3.617 30 20 CHED CN(CCCC(C)(C)C#N)CCc1ccccc1F 746672341 NYYBDBNEUCJIQS-UHFFFAOYSA-N 262.372 3.630 30 20 CHED FC(F)(F)CCON=Cc1ccccc1N1CCCC1 1325854601 QCACMJLOGPRDQF-UHFFFAOYSA-N 286.297 3.590 30 20 CHED C#CCCCN(C)Cc1cc(Cl)cc(Cl)c1 766895422 KXOWMJIMYNCDLH-UHFFFAOYSA-N 256.176 3.839 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1cccc(CC#N)n1 1342867208 ZTPQIIMKXXEEEQ-KGLIPLIRSA-N 271.408 3.799 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)c1cccnc1)c1cccs1 1343903038 XKVQKYDMDYJLIG-FZMZJTMJSA-N 286.356 3.591 30 20 CHED N#CC[C@@H](OC(=O)CC(C1CC1)C1CC1)c1ccco1 1263661035 XEOLIVWGNRWSOR-OAHLLOKOSA-N 273.332 3.604 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)O[C@@H]1CC[C@@H](C#N)C1 1342576860 YOLNDXBJHBPGHQ-GHMZBOCLSA-N 292.404 3.598 30 20 CHED CC(C)(C#N)CCSCc1cnn(C(C)(C)C)c1 1347256108 BGVLOZUYAWEDGR-UHFFFAOYSA-N 265.426 3.811 30 20 CHED N#CC[C@@H](OC(=O)[C@H](c1ccccc1)C1CC1)c1ccco1 1350311058 DWAUBTMKZGHPGL-IAGOWNOFSA-N 295.338 3.971 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C2(C(C)(F)F)CC2)n1 1357690472 WVVLGAAGTCXCMN-VIFPVBQESA-N 298.358 3.878 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC1CCCCCCC1 1358066943 KGXLIQDHBXWMSX-UHFFFAOYSA-N 284.403 3.957 30 20 CHED CCc1cccc(N(C)C(=O)c2ccc(CC#N)cc2)c1 1275097696 BRQQSLKLWXZOFD-UHFFFAOYSA-N 278.355 3.592 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1ccc(C#N)cc1 1351388814 NCFWTVMYVSPUHM-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED CN(Cc1ccco1)c1c(C#N)cnc2c(Cl)cccc12 1458057718 WKPYIWKRTFICHW-UHFFFAOYSA-N 297.745 3.989 30 20 CHED N#Cc1c(Cl)nsc1Sc1ccc2[nH]ncc2c1 1458432939 JAHCWXLHUBPSSN-UHFFFAOYSA-N 292.776 3.696 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(C(=O)O)cs2)ccc1C#N 1600185580 CHQWQZAZOGIIRQ-HYXAFXHYSA-N 297.335 3.523 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1cc(C(=O)O)co1 1609725715 NQZFJBMUGLCPGN-GHYOLMRSSA-N 282.295 3.820 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1cc(C(=O)O)co1)C2=O 1607864668 JLKFYOURZZFMFD-UQDQQJHMSA-N 282.295 3.670 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)cc2F)C1 1530481502 ZMEWYQBUPNOBHI-KGLIPLIRSA-N 288.366 3.642 30 20 CHED CC[C@H](C)CN(CC)C(=O)[C@@H](CC#N)c1ccccc1 1539984417 NUVQVAGOQAHXIQ-HOCLYGCPSA-N 272.392 3.578 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)Cc1cc(C#N)ccc1OC 1473389700 WIHFUHHRNGKKFU-RDJZCZTQSA-N 286.419 3.967 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)c2ccccc2)n1 25368961 HJIAWLSQTMHIBB-CYBMUJFWSA-N 251.333 3.743 30 20 CHED CC[C@@H]1CCC[C@H](CNc2n[nH]c(C3CC3)c2C#N)C1 1560499179 QRNKAXMVBMTALB-NEPJUHHUSA-N 272.396 3.787 30 20 CHED C[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C1CCCCC1 1638626884 XCJFJCNITKZYLZ-JTQLQIEISA-N 292.329 3.535 30 20 CHED CCS[C@H]1CCC[C@H]1NCc1ccc(Cl)cc1C#N 1645559129 WWGJSWOHRPLTTG-CABCVRRESA-N 294.851 3.975 30 20 CHED C=C(C)c1cccc(NC(=O)Cc2ccccc2C(=O)O)c1 1573330448 ZSHULGXVDWZXCG-UHFFFAOYSA-N 295.338 3.599 30 20 CHED C=CC1(CC(=O)Nc2cccc(C(=O)O)c2)CCCCC1 1573351539 VQIHTVPWDNUSKZ-UHFFFAOYSA-N 287.359 3.850 30 20 CHED CO[C@]1(C)C[C@@H](NCc2ccc(Cl)cc2C#N)C1(C)C 1654484023 AEPVWQYYJFPVFM-GDBMZVCRSA-N 292.810 3.505 30 20 CHED N#Cc1cccc(CNCCc2ccc(Cl)cc2)c1 20122547 JNQKNVQTAGWGTQ-UHFFFAOYSA-N 270.763 3.544 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)cc1 19479194 PAQYLIQVQLPCAB-CYBMUJFWSA-N 276.339 3.540 30 20 CHED O=C(/C=C/c1ccc(Cl)c(F)c1)c1cncc(F)c1 150946839 RJWSYXJRBRQCGX-DUXPYHPUSA-N 279.673 3.909 30 20 CHED N#Cc1ccc(NCc2cc(F)cc3cccnc23)cc1 162046027 CMTGNKOMBMEKQX-UHFFFAOYSA-N 277.302 3.858 30 20 CHED COc1ccc(C(=O)CSc2cccc(C#N)c2)cc1 158743641 MRSNXRZEFMJFJQ-UHFFFAOYSA-N 283.352 3.542 30 20 CHED C=CCC[C@@H](NC(=O)NC[C@@H](C)SC)c1ccccc1 160828670 ONUROUXLKLYGTK-UKRRQHHQSA-N 292.448 3.745 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 5549222 DHNQBGNLLRZGOV-SOFGYWHQSA-N 283.283 3.505 30 20 CHED C=C(C)CCSc1nnc(C)n1CCc1cccs1 274723286 GASJGZUUMOITQU-UHFFFAOYSA-N 293.461 3.949 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 116805023 DDFHJAHZNQMUGU-DZKIICNBSA-N 264.413 3.647 30 20 CHED Cc1cc(Cl)ccc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 152247946 UNINJQUTTVFCGT-ZBEGNZNMSA-N 290.794 3.851 30 20 CHED CCC[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C(C)C 153128293 DZCVCHKQWWPVIT-OLZOCXBDSA-N 283.375 3.811 30 20 CHED C=C(C)CN(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 157058468 UHQDXJMYAYYGOK-WMZOPIPTSA-N 272.436 3.547 30 20 CHED C[C@H](CC#N)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 157591283 JNVVFSQGAUTPBA-GHMZBOCLSA-N 298.308 3.617 30 20 CHED CN(CCC#N)Cc1ccc(Cl)c(C(F)(F)F)c1 157812871 DSCQITZQFIPYGA-UHFFFAOYSA-N 276.689 3.704 30 20 CHED C=C(C)CNC(=O)c1cccnc1Sc1ccccc1 154394351 KREFOMAEBNZBJF-UHFFFAOYSA-N 284.384 3.539 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(c2ccc(C#N)cc2F)C1 302117072 DDBGZGJTUVJUIP-SJKOYZFVSA-N 281.334 3.680 30 20 CHED C#Cc1cccc(CN[C@H](CC)c2cccs2)c1 834902087 DNHIODXRVSHURH-OAHLLOKOSA-N 255.386 3.970 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)OC)cc1 3155868 XUHOKGDFCGSYMF-UHFFFAOYSA-N 277.364 3.772 30 20 CHED CC1CC(C#N)(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)C1 124178576 RSGDZNKOBGRVGZ-XOYHFGRZSA-N 276.424 3.601 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1OC)c1cccs1 130279482 KDSVEYRRJDQHNR-AWEZNQCLSA-N 286.400 3.869 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(Cl)ccc1OC 44764830 UQDRCEGULVTKSS-UHFFFAOYSA-N 280.755 3.617 30 20 CHED C[C@H]1CCCCN1CCCNc1ccc(Cl)cc1C#N 52856801 ALMACKNCYMBDRJ-ZDUSSCGKSA-N 291.826 3.888 30 20 CHED C[C@@H]1CC[C@@H](Nc2nc3c(cc2C#N)CCC3)[C@H](C)C1 70543452 XEILRCIOQFQDLQ-LALPHHSUSA-N 269.392 3.679 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C)ccc2C)c1 308131252 JDCODVVYUNKATA-UHFFFAOYSA-N 264.328 3.736 30 20 CHED C=CCCCN1CC[C@]2(CCN(Cc3ccccc3)C2)C1 512237750 VQTLTSDXUQCWIU-IBGZPJMESA-N 284.447 3.551 30 20 CHED Cc1ccc(CCNc2ccc(C#N)c(Cl)c2)o1 520324398 UHDYFVWNSRFKFP-UHFFFAOYSA-N 260.724 3.768 30 20 CHED CCC[C@@H](NCc1cc(C#N)ccc1F)C1CCC1 324961347 KFNOMOCLAZXVSI-MRXNPFEDSA-N 260.356 3.756 30 20 CHED Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)sc1Br 335284534 FTYVYYZRYPGTTK-VHSXEESVSA-N 299.237 3.601 30 20 CHED N#CC1(C(=O)Nc2cccc3ccsc23)CCC1 335913435 HAYSJKWACKLYFG-UHFFFAOYSA-N 256.330 3.534 30 20 CHED COc1cc(CN2CCCCC(C)(C)C2)ccc1C#N 443069069 ONNGADFXJBOSLJ-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C#CCCCCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714395641 VMLXRMYWQKMPIF-ARFHVFGLSA-N 261.409 3.513 30 20 CHED C#C[C@H](NCc1cscc1C(F)(F)F)C(C)C 811505948 USFQPUBXYLRYJW-NSHDSACASA-N 261.312 3.514 30 20 CHED CCC(=NNCc1ccccc1)c1ccc(F)cc1 916344116 NNLCWIXNBOLADN-UHFFFAOYSA-N 256.324 3.730 30 20 CHED C(=NOCc1ccccc1)[C@H]1C[C@H]1c1ccccc1 755631252 GBXXLECORJFOSN-SJORKVTESA-N 251.329 3.993 30 20 CHED Cc1nc(N[C@@H]2C[C@H]2C2CCC2)c(Cl)cc1C#N 1186773165 ULWKRTIIKIUHQB-WCQYABFASA-N 261.756 3.516 30 20 CHED N#Cc1ccc(COC(=O)c2ccc(Cl)s2)cc1 4242784 GRPQHGNTJXINQB-UHFFFAOYSA-N 277.732 3.630 30 20 CHED Cc1nc(C)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)s1 25840966 RGXDGFNPCNZISR-UHFFFAOYSA-N 299.399 3.813 30 20 CHED CCOc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 37678718 HRZMTUBMNFFLJI-CQSZACIVSA-N 280.371 3.808 30 20 CHED N#Cc1nnc2ccccc2c1NC1CCCCCC1 41529692 IPUPDLNAFWSNBA-UHFFFAOYSA-N 266.348 3.636 30 20 CHED N#Cc1ccc(N[C@H]2CCSc3ccccc32)nc1 42847950 GEMBWWPQBCFLGH-ZDUSSCGKSA-N 267.357 3.602 30 20 CHED C=CCSCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 44347179 ALOGCPPJSINHNF-CYBMUJFWSA-N 289.444 3.662 30 20 CHED Cc1cc(F)ccc1NC(=O)C1(C#N)CCCCC1 44385488 HUUMIWKNRNFNEY-UHFFFAOYSA-N 260.312 3.547 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2cccc(C#N)c2)cc1 45246776 KWOZNEOOQJNLPT-CQSZACIVSA-N 278.355 3.700 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C(C)(C)c2ccccc2)n1 48520401 IAPRHWCWKZATMB-ZDUSSCGKSA-N 284.384 3.606 30 20 CHED N#Cc1cc2c(nc1NCCc1cccs1)CCCC2 49957076 CNVOSYOVWMBLEH-UHFFFAOYSA-N 283.400 3.548 30 20 CHED C=CCCC(=O)Nc1ccccc1S[C@H](C)CC#N 66800287 GKTPCPNKUVGMSQ-GFCCVEGCSA-N 274.389 3.986 30 20 CHED Cc1sc(NC(=O)CCc2ccsc2)c(C#N)c1C 69753129 ZVFLNYGOGGOHCT-UHFFFAOYSA-N 290.413 3.869 30 20 CHED N#CCN(Cc1c(F)cccc1Cl)C1CCCC1 78003444 LENSNMFFALYVJF-UHFFFAOYSA-N 266.747 3.747 30 20 CHED N#CCCCC[S@@](=O)Cc1ccc(Cl)c(Cl)c1 78701982 PEIYNEOPKSACLM-KRWDZBQOSA-N 290.215 3.936 30 20 CHED C[C@H]1CCC[C@H](N(C)c2nc(C(F)(F)F)ccc2C#N)C1 78833618 ANPGJDGBWYWJSW-JQWIXIFHSA-N 297.324 3.987 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(OC(C)(C)C)cc1 79395578 BIPNAFDSYPOSTO-UHFFFAOYSA-N 275.392 3.902 30 20 CHED CSCCCNc1ccc(C(F)(F)F)cc1C#N 83412565 JTQHOONYXHZLCM-UHFFFAOYSA-N 274.311 3.742 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccccc1-c1cccs1 84907861 IPTUEJMYJMKXKE-NSHDSACASA-N 285.372 3.696 30 20 CHED CCCCCCCC(=O)N1CCCC[C@H]1CCC(=O)O 88359226 BZGCKQVCBPBHHS-AWEZNQCLSA-N 283.412 3.593 30 20 CHED CCC[C@@H](C)c1cc(NC(=O)c2ccc(CC#N)cc2)[nH]n1 89505354 PEQBUFVGVCROOL-GFCCVEGCSA-N 296.374 3.632 30 20 CHED N#Cc1ccc(NC[C@@H]2COc3ccccc32)cc1Cl 92299504 DTCYEQZXJJXTMK-GFCCVEGCSA-N 284.746 3.800 30 20 CHED C=CC1CCN(C(=O)COc2ccc3ccccc3c2)CC1 110363457 QZBVFQHKTPCSOK-UHFFFAOYSA-N 295.382 3.643 30 20 CHED C=CC1CCN(C(=O)c2sccc2SC)CC1 110364030 GGGAJKWKBKQTAP-UHFFFAOYSA-N 267.419 3.508 30 20 CHED C=CC1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)CC1 110367125 RQEPUBAHSVTJPB-UHFFFAOYSA-N 287.378 3.672 30 20 CHED COc1cccc(/C=C/C(=O)c2sccc2C)c1 113771941 MNOLYBZEDSPLTP-VOTSOKGWSA-N 258.342 3.961 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CC(C)(C)c2ccccc2)C1 116801179 WNOFJWXVGNYPJE-KXBFYZLASA-N 298.430 3.943 30 20 CHED C=CC[C@H](C)NC(=O)c1oc2c(C)cccc2c1C 116853305 SCQTUZHKXAPUFH-NSHDSACASA-N 257.333 3.744 30 20 CHED Cc1ccc(-c2nnc(SCCCCC#N)o2)cc1 121120985 QGNSWYCSRNHKGG-UHFFFAOYSA-N 273.361 3.831 30 20 CHED CC[C@H]1CC[C@H](C)N1CCCOc1cccc(C#N)c1 124639922 XDAJGDYGDNASGI-HOCLYGCPSA-N 272.392 3.590 30 20 CHED CCCCCCCSc1nnc(-c2ccccn2)n1C 124728412 VSIRTBHRDZZCJP-UHFFFAOYSA-N 290.436 3.940 30 20 CHED Cc1csc(-c2cccc(C(=O)O[C@H](C)CC#N)c2)n1 124969669 GNULYDQMCCSRGV-LLVKDONJSA-N 286.356 3.578 30 20 CHED COCc1ccc([C@H]2CCCN2CCC(C)(C)C#N)o1 130967109 OCNPYGFLGXHVEY-CQSZACIVSA-N 276.380 3.503 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2cccnc2)s1 134282819 XKBMYSMFOZZRTA-VOTSOKGWSA-N 272.373 3.732 30 20 CHED CC(C)(CCC#N)CNCc1cccc(Cl)c1 135122813 MLDKHHNLBVZZMI-UHFFFAOYSA-N 250.773 3.760 30 20 CHED N#Cc1ccc(N2C[C@H]3CCC[C@H]3C2)cc1C(F)(F)F 148317654 YWZFAONBRVYNPQ-TXEJJXNPSA-N 280.293 3.813 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(COC)cc1 156753280 BMECRSUNRPIUTF-UHFFFAOYSA-N 275.392 3.651 30 20 CHED CC[C@H]1CN(c2cccc(Cl)c2C#N)CCS1 157522205 KYRPAWYSSRDCFN-JTQLQIEISA-N 266.797 3.543 30 20 CHED COc1cc(C#N)ccc1CNc1cc(F)c(F)c(F)c1 158159829 BHLRPXBUCTZMBM-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(F)cc(F)cc1F 160892863 NZDGDMXDWMPJPI-UHFFFAOYSA-N 269.266 3.811 30 20 CHED C=CCN(C)C(=O)c1ccc(C2SCCCS2)cc1 161507059 UAVYSGRZUSLRFV-UHFFFAOYSA-N 293.457 3.813 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C 163244939 GMHMNSGQNOHSPO-LBPRGKRZSA-N 291.351 3.770 30 20 CHED CCCOC(=O)[C@H](C)Sc1ccc(C#N)cc1Cl 163337489 AFWCOSADOCWQAV-VIFPVBQESA-N 283.780 3.645 30 20 CHED C[C@H](N[C@H]1CCC(C)(C)C1)c1ccc(OCC#N)cc1 164665572 MZBRYRUAWYTMEL-ZFWWWQNUSA-N 272.392 3.818 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1cccc(C#N)c1 170954636 UIELDCLEZLCOOU-CQSZACIVSA-N 262.356 3.678 30 20 CHED CCCCC[C@H](C)CC(=O)NCc1cccc(C#N)c1 173358594 NAKSAHBEPMQTHE-AWEZNQCLSA-N 272.392 3.781 30 20 CHED CSc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)ccn1 175771319 WPFKISZTLLLASQ-LLVKDONJSA-N 298.367 3.593 30 20 CHED C[C@H](NCCSCc1ccccc1C#N)C1CCC1 177821554 AOCPRAGODOGUAN-ZDUSSCGKSA-N 274.433 3.570 30 20 CHED COC[C@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1 178301706 YULJVFRYCFZFJM-ZDUSSCGKSA-N 267.328 3.639 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)c(OC)c(C)c2)c1 180038551 TVCAJPYKRYJOMS-UHFFFAOYSA-N 293.366 3.570 30 20 CHED Cc1scc(C(=O)N[C@@H](C#N)C2CCCCC2)c1C 180329060 JFVPMHFPPNCHSC-AWEZNQCLSA-N 276.405 3.567 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)CCCc1ccccc1 180872004 GZIQEJFRUFDJOB-CABCVRRESA-N 259.393 3.726 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@@H]1CCCC 180965681 GPTOCFZXBPOYAC-UONOGXRCSA-N 252.402 3.563 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 183097291 QYHCRJSWFGACQO-LLVKDONJSA-N 275.327 3.564 30 20 CHED CC[C@H](CC#N)NC(=O)c1cccc(-c2nc(C)cs2)c1 183966843 KZAQGGHEXIAUFJ-CQSZACIVSA-N 299.399 3.541 30 20 CHED C=CC1CCN(C(=O)Nc2ccccc2CSC)CC1 184812548 ZCLOZQWHLMTYQT-UHFFFAOYSA-N 290.432 3.980 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(Br)cc1F 184878636 BBIVLRCCZSNOBD-UHFFFAOYSA-N 298.155 3.576 30 20 CHED Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1N(C)C 185739966 MLPRAZWPEWPPCQ-KGLIPLIRSA-N 257.381 3.555 30 20 CHED Cc1cc(C)c(CCN[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 185865090 RSZOXEVYHWJKPX-IAGOWNOFSA-N 270.420 3.826 30 20 CHED Cc1coc2ccc(NC(=O)c3cccc(C#N)c3)cc12 187307579 FBZHGZATUALRRT-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CCSCC 188916103 VMIFKUAXBAWPCR-TZMCWYRMSA-N 257.443 3.579 30 20 CHED C#CCCCC(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 192107641 NLPFZACZYHATOT-MRXNPFEDSA-N 298.430 3.661 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccccc1F)C1CCCC1 192383015 XXIOGPHHWMVTBN-GOSISDBHSA-N 287.378 3.977 30 20 CHED C=CCCCCCN1CC[C@@H](CNC(=O)OC(C)(C)C)C1 193326772 QAGTYNMZYYGEDA-HNNXBMFYSA-N 296.455 3.579 30 20 CHED C=CCSc1ccc(Br)cc1[N+](=O)[O-] 215734079 FZBOSXNOHHWZSG-UHFFFAOYSA-N 274.139 3.635 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H]1CCC[C@@H](C)C1 229148843 IZNHFRBDTMXJGP-CXAGYDPISA-N 256.393 3.877 30 20 CHED C#CCCCCN[C@H](c1ccccc1)C(F)(F)F 229677815 LTVNNVAPOQKWLO-CYBMUJFWSA-N 255.283 3.683 30 20 CHED Cc1ccsc1CNc1nc(Cl)c(C#N)s1 235780504 BQVLVUQPOLUIRV-UHFFFAOYSA-N 269.782 3.650 30 20 CHED N#Cc1cccc(SCc2ccccc2Cl)n1 236042036 OXABSAKJAYVHJT-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C#CCCOc1ccc(CN[C@@H](C)CCSCC)cc1 236851971 KQXYGVWDGKEYIN-HNNXBMFYSA-N 291.460 3.710 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc([S@@](C)=O)cc1 245832965 BZQQQTBGLPDAMH-IQUTYRLHSA-N 279.449 3.819 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H](C)C#N 248437510 HDBLONJTCQFXFH-DJIMGWMZSA-N 299.418 3.514 30 20 CHED CN(CCCCN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 248937919 YLVBVQJSZNMJGD-IAGOWNOFSA-N 285.435 3.575 30 20 CHED CC[C@H]1CC[C@H](C(=O)NC2(C#N)CCCCC2)CC1 249843126 NZOQBMHZOARTAQ-HDJSIYSDSA-N 262.397 3.545 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C\c1cccc(OC2CCCC2)c1 255126710 KOZWPTHHHNSCBX-WOLCWHLNSA-N 299.370 3.867 30 20 CHED CN1C(=O)CCc2cc(C(=O)/C=C\c3ccsc3)ccc21 255368342 PINQCXXGLISSEZ-KXFIGUGUSA-N 297.379 3.553 30 20 CHED CCN(CC)c1ccc(/C=N\[C@H](C)c2ccccn2)c(O)c1 255621449 NNCCOUOSYHUUPW-KELUXRKGSA-N 297.402 3.814 30 20 CHED CCn1cc(/C=C2\COc3c(cccc3C(C)C)C2=O)cn1 255864355 UOGCSZLSQWNGGB-RIYZIHGNSA-N 296.370 3.685 30 20 CHED N#CCC1CCN(Cc2ccc(Br)cc2)CC1 260637879 VACKPLPKVYWDFQ-UHFFFAOYSA-N 293.208 3.575 30 20 CHED Cc1c(C(=O)N(C)[C@H](C)CC#N)oc2c(Cl)cccc12 264011576 BHUSBPDBLROEFZ-SECBINFHSA-N 290.750 3.769 30 20 CHED C=CCOCCCC(=O)N(CC)c1cccc(C)c1C 266272561 ONVBCXUPMNILPL-UHFFFAOYSA-N 275.392 3.639 30 20 CHED C=CCN(C(=O)Nc1ccccc1CCC)C1CC1 271377006 ODTOJUQPPXDJDI-UHFFFAOYSA-N 258.365 3.821 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1)C1CC1 271475251 SXGRXUSUBVJMCY-UHFFFAOYSA-N 250.729 3.522 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1N(C)C 271817262 BVPSIBISRPXTOY-OAHLLOKOSA-N 293.414 3.784 30 20 CHED C=C[C@H](CC(=O)NCCC=C(C)C)c1ccccc1 276726467 UMSGTNDLOOFUDU-OAHLLOKOSA-N 257.377 3.819 30 20 CHED CCOc1ccc(NC(=O)CC(C)(C)C#N)c2ncccc12 278271092 ATRXDVMJYJRWQO-UHFFFAOYSA-N 297.358 3.512 30 20 CHED CC[C@H](NCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 278321913 VCTXXOWXAAWGHH-INIZCTEOSA-N 294.354 3.528 30 20 CHED C=CCC(CC=C)c1nc(-c2ccnc(C)c2)no1 278766081 SJKXMKPCFAZLRQ-UHFFFAOYSA-N 255.321 3.676 30 20 CHED C=CCCC(=O)N1CC=C(c2cccc(Cl)c2)CC1 279865787 VPDUXHKBAMEJOO-UHFFFAOYSA-N 275.779 3.922 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(C#N)oc1C 280631034 MCFJKKPYNRJUBF-ABAIWWIYSA-N 274.364 3.501 30 20 CHED Cn1ccc2ccc(NCCCC3(C#N)CCOCC3)cc21 281393999 ZSCJKQOSDRURPV-UHFFFAOYSA-N 297.402 3.691 30 20 CHED C=CCn1c(SCCSC(C)C)nnc1C1CC1 282160619 GUUDHIZTEXUOCA-UHFFFAOYSA-N 283.466 3.575 30 20 CHED C=CCCC(=O)Oc1ccc(-c2ncc3n2CCCC3)cc1 284127520 CTPOPQFVNVARCO-UHFFFAOYSA-N 296.370 3.758 30 20 CHED CCN(Cc1ccc(Cl)cc1)C(=O)[C@](C)(C#N)CC 285423644 LCFFENKWESDYBD-HNNXBMFYSA-N 278.783 3.628 30 20 CHED CCc1ccc([C@H]2CCCCCN2C(=O)CCCC#N)o1 291538541 RIJYFVAESXPTTQ-OAHLLOKOSA-N 288.391 3.980 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)CCc1ccc2ccccc2c1 291605527 GSZJTOCMBPYMBA-IBGZPJMESA-N 292.382 3.581 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CCCC#N)C2CC2)o1 292387585 DOJIWQNHYLCBES-WFASDCNBSA-N 286.375 3.588 30 20 CHED CCCCCCCCCCNC(=O)CCc1cncnc1 292566452 SCYNABPFDTXWPA-UHFFFAOYSA-N 291.439 3.666 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc(OC(F)F)c(F)c2)C1 293840203 XSCYEEXSAVRALX-JQWIXIFHSA-N 298.308 3.599 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(CCC#N)Cc2ccco2)C[C@H]1C 294394824 CPPQEECIJYWZDZ-KFWWJZLASA-N 288.391 3.594 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 296784926 SHTQAOINZPSNPF-ZDUSSCGKSA-N 289.379 3.965 30 20 CHED CCN(CCC#N)[C@@H](C)c1ccc(Br)cc1 299418943 RHFCFRFVDCQZOF-NSHDSACASA-N 281.197 3.746 30 20 CHED C[C@@H](Nc1snc(Cl)c1C#N)c1cccc(C#N)c1 301427943 HOZJJMNSXUOOEO-MRVPVSSYSA-N 288.763 3.713 30 20 CHED Cc1ccc(Nc2cccc(C#N)n2)cc1OCC(F)F 301825816 IWBPGBBQQGZGBD-UHFFFAOYSA-N 289.285 3.649 30 20 CHED N#Cc1ccccc1Oc1ccnc(Cc2ccccc2)n1 302010954 CKDZCRRLJHZCOI-UHFFFAOYSA-N 287.322 3.731 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]3OCCC[C@@H]32)cc1C(F)(F)F 302551874 KEYYFGGIFCSOTP-BNOWGMLFSA-N 296.292 3.556 30 20 CHED CCC[C@@H](Nc1cccc(OCC#N)c1)C1CCC1 322493606 ZDUDHXDNPXAGDN-MRXNPFEDSA-N 258.365 3.970 30 20 CHED CCC[C@H](NCc1ccc(F)c(C#N)c1)C1CCC1 324689093 QCZXAXHFPNGAMX-INIZCTEOSA-N 260.356 3.756 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cccc3ocnc23)C[C@@H](C)O1 328899621 XNQOOOKLTNEHCN-JGPRNRPPSA-N 274.320 3.619 30 20 CHED CSc1n[nH]c(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n1 329054842 HVOAXNVTOKPBOW-OUAUKWLOSA-N 294.424 3.721 30 20 CHED Cc1c(C/N=C(/O)C[C@H]2CCOC2)oc2ccc(F)cc12 329863614 ZGBDGFIQULDUCA-LLVKDONJSA-N 291.322 3.763 30 20 CHED Cc1ncsc1C/N=C(/O)c1csc(C(C)(C)C)n1 330617811 GPFOCVRSXNRVMI-UHFFFAOYSA-N 295.433 3.710 30 20 CHED CCn1nccc1N/C(O)=N/[C@@H](C)c1cc(C)sc1C 330676611 ANMFYYOISBLJJN-JTQLQIEISA-N 292.408 3.668 30 20 CHED Cc1ccc(N/C(O)=N/CC(C)C)cc1OC(C)C 331123308 GXUUXJLTMLZTTF-UHFFFAOYSA-N 264.369 3.764 30 20 CHED CCc1nc(C)c(NC(O)=Nc2c(C)noc2CC)s1 331186062 JHZKVJDFWGBCRY-UHFFFAOYSA-N 294.380 3.530 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCc1cc(C#N)cs1 334251860 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SBPVFMSLSONDSF-UHFFFAOYSA-N 269.435 3.521 30 20 CHED C=CCn1cccc1-c1nc([C@H]2C[C@@H]2c2ccccc2)no1 347215200 LCXCUCVRAYQQBD-CABCVRRESA-N 291.354 3.995 30 20 CHED CC1(C)C[C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccc(F)cc2O1 348186110 LVBYCEMMUBUTEU-ZLDLUXBVSA-N 288.366 3.710 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H]2CCSc3ccccc32)C1 349340386 GYIAVVIAFIOQLR-BZPMIXESSA-N 258.390 3.505 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(C)=O)cc2F)n1 349773678 YDNQPEPAQURWDN-UHFFFAOYSA-N 274.295 3.587 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cc(O)cc(F)c1 352012419 ZINARZLRMVOZKE-UHFFFAOYSA-N 298.361 3.815 30 20 CHED Cc1nc(C)c(CSc2ccc(C#N)cc2)s1 358056161 NBXPQNZJDBFVNK-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C=CCOc1ccc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)cc1 359192365 USDCDHRPKMSDGX-QGZVFWFLSA-N 299.414 3.902 30 20 CHED CS[C@H](C(=O)NCC(C)(C)CCC#N)c1ccccc1 359753761 AKVYKMYQNDDGFZ-AWEZNQCLSA-N 290.432 3.537 30 20 CHED CO[C@@]1(C)CCCN(Cc2ccc(C#N)cc2Cl)CC1 361410904 SLMLCPSYHUSMDR-INIZCTEOSA-N 292.810 3.603 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 361865027 IOHCYIYCSNZFJK-GFCCVEGCSA-N 284.334 3.557 30 20 CHED Cc1ccccc1CN(C(=O)c1ccc(C#N)s1)C1CC1 362957098 GWLFLIAWSAVCQO-UHFFFAOYSA-N 296.395 3.733 30 20 CHED CCCCCCCCC(=O)N1CCC2(CCCN2C)CC1 375204215 ZDQXDZUAEABADQ-UHFFFAOYSA-N 294.483 3.824 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2ccc(F)c3ccccc23)C1 397633198 VHKQSIUBCSXVGF-CYBMUJFWSA-N 296.345 3.745 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 398170664 LFJQMMKDNZEPNY-OLZOCXBDSA-N 262.353 3.990 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C(C)(C)C2CCC2)cc1 410864915 NKJJFJFHXRSSBG-INIZCTEOSA-N 284.403 3.756 30 20 CHED CC[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 415393150 OORDTSXCFYKTPP-RHSMWYFYSA-N 290.382 3.764 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c1 416782829 SRVRUQFCWYTBEY-IHRRRGAJSA-N 288.391 3.760 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C2CC2)cc1 417355050 NCGUBYZEVFRRGE-GDZNZVCISA-N 254.377 3.907 30 20 CHED Cc1nsc(N[C@@H]2CCCc3cc(C#N)ccc32)c1C#N 419012232 DNLNAPOCTPKDBZ-OAHLLOKOSA-N 294.383 3.684 30 20 CHED CC(C)n1ncc2cc(CSCCCC#N)cnc21 419543418 KBLHCZWNNDEWDD-UHFFFAOYSA-N 274.393 3.549 30 20 CHED Cc1c(NC(=O)C[C@@H](C)CC(C)C)ccc(C#N)c1C#N 421557604 LRBWDEZZJGEZAG-LBPRGKRZSA-N 283.375 3.749 30 20 CHED C[C@@H]1C[C@H](Sc2ccc(C#N)cc2Cl)CCO1 421834440 KSGCTMNWQUZROS-MWLCHTKSSA-N 267.781 3.871 30 20 CHED C=CCCCC(=O)N1CCC[C@H](CC(F)(F)F)C1 421954900 GXTDBHBBFOXYID-LLVKDONJSA-N 263.303 3.534 30 20 CHED C=C(CN[C@@H]1CCC[C@@H]1[C@H]1CCCCN1)c1ccccc1 423034653 XVOQDJGUCWSKAJ-GUDVDZBRSA-N 284.447 3.600 30 20 CHED C=CCN(CCC#N)Cc1cnc(C2CCCC2)s1 430092342 ZEQWDTGNULRAFB-UHFFFAOYSA-N 275.421 3.702 30 20 CHED C=CCNC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 430966109 MLHDZHLNYZRLGK-AWEZNQCLSA-N 260.381 3.567 30 20 CHED CC(C)CC[C@H](C)NC(=O)[C@@H](C#N)CCc1ccccc1 433230665 HVHGUABVZNHISV-DOTOQJQBSA-N 286.419 3.700 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cnc([C@H](C)CC)nc1 434514009 NTXMSXXOJKHFRU-OCCSQVGLSA-N 288.395 3.563 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 435008247 LPPQZTZZIFCPFX-ZBFHGGJFSA-N 296.414 3.532 30 20 CHED CCc1ccnc(CNc2ccc(C#N)c(Cl)c2)c1 435595340 CZRQVVUAWRRANU-UHFFFAOYSA-N 271.751 3.781 30 20 CHED C=C(C)CCc1noc(-c2ccc(Cl)cc2O)n1 436689186 WAVXTDVPUNAKKT-UHFFFAOYSA-N 264.712 3.604 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)CC1 438938288 NXWDHLHPSXABMX-XEZPLFJOSA-N 264.413 3.647 30 20 CHED CC(C)C(C)(C)C(=O)Nc1ccc(C#N)c(Cl)c1 439215359 UZDXNOFOAZCKON-UHFFFAOYSA-N 264.756 3.832 30 20 CHED CC[C@H](CSc1ccccc1)N[C@H]1CC[C@@H](C#N)C1 442846750 JYYURMRCIGDKHO-KFWWJZLASA-N 274.433 3.839 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 448685412 XRXUWDIBIBXNAF-IXDOHACOSA-N 269.388 3.637 30 20 CHED C=CCC[C@H](CO)N[C@H]1CC=C(c2ccc(F)cc2)CC1 449698399 NILJJKNBFGCROQ-ZWKOTPCHSA-N 289.394 3.678 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N1CCCC(C)(C)[C@H]1C#N 451202730 NYHZHEILPDKDCK-GHMZBOCLSA-N 290.329 3.506 30 20 CHED C=CCCc1noc(CCc2ccc(Cl)c(OC)c2)n1 453225037 CWQAKSVLFIJJDJ-UHFFFAOYSA-N 292.766 3.635 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)ccc1OC(F)F 453343014 DNLVXIMJWDHNGZ-BNOWGMLFSA-N 297.345 3.591 30 20 CHED C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(C#N)c(F)c1 453392024 UCVYXGGDXBDUKE-SGTLLEGYSA-N 280.346 3.720 30 20 CHED N#CCCCC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 457267213 BJJYHQAHHMNQSK-KRWDZBQOSA-N 282.387 3.824 30 20 CHED C[C@@H](CNc1nc2c(cc1C#N)CCC2)Cc1cccs1 462908202 AIFCWGOJFSHOEJ-GFCCVEGCSA-N 297.427 3.794 30 20 CHED CC#CCCCC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 464571104 QFPTVVWINZRHKC-CABCVRRESA-N 263.425 3.901 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](c2cccc(C)c2)C1 466382406 GMRXDIJNFTUYNC-IRXDYDNUSA-N 286.419 3.849 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCC[C@@H]1CC(C)C 466395128 IVJFIAICIFULIY-HUUCEWRRSA-N 266.429 3.951 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](C)OCCCC)CCCC1(C)C 470275235 VVMVKVSRYCKAKK-LSDHHAIUSA-N 281.440 3.785 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1 474710615 YWLBAPZKBULWNE-DGADGQDISA-N 273.420 3.674 30 20 CHED C=CCCCC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 478264301 ULKRSUARUVYKQW-HOCLYGCPSA-N 275.367 3.934 30 20 CHED CCC(CC)[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1 480915307 WSZSKTQMHZGOHG-QGZVFWFLSA-N 295.386 3.794 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3nccc(C)c3C#N)C2)cc1 486476582 FBLWHGOLHBFOPC-DOTOQJQBSA-N 291.398 3.953 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)s1 487342306 YCWKNCBRODUPDS-AAEUAGOBSA-N 276.405 3.708 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)NCC#Cc1ccccc1 487679112 SENJALOVDZIDFY-GOSISDBHSA-N 298.430 3.792 30 20 CHED C=C[C@@H]1CCCCN1c1cnc(-c2ccccc2)cn1 487749011 CDYLIPCKOYFTRZ-OAHLLOKOSA-N 265.360 3.689 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2cccc(C#N)c2)CS1 488299447 NPNIQVKVDZTJTJ-KBPBESRZSA-N 260.406 3.890 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1c[nH]c2cc(C)ccc12 488877534 KKQZRVXVVCEQJS-INIZCTEOSA-N 296.414 3.976 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cnn([C@@H](C)CC)c1C 489068288 HJFVFSPMGNIMRT-GXTWGEPZSA-N 290.411 3.735 30 20 CHED C=C[C@@H]1CCCCN1CCC(=O)Nc1cccc(F)c1C 489503943 ZSBWYXVIEXKXIV-CQSZACIVSA-N 290.382 3.503 30 20 CHED C#CCN(CC)C(=O)Nc1ccccc1Cc1ccccc1 490778950 PFUQQSFRMDTQIH-UHFFFAOYSA-N 292.382 3.764 30 20 CHED Cc1cscc1CN[C@H](C)c1ccc(C#N)c(F)c1 494471618 MHFHQTIQLDMEFW-LLVKDONJSA-N 274.364 3.918 30 20 CHED C=CCCCC(=O)N1CCCc2cc(Cl)ccc21 500182489 BOYSBTXQPZACAK-UHFFFAOYSA-N 263.768 3.976 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@@H]2C2CCCCC2)n1 500261684 LIDUEAODFCHJGS-CABCVRRESA-N 255.365 3.642 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@H]2C2CCCCC2)n1 500261698 LIDUEAODFCHJGS-LSDHHAIUSA-N 255.365 3.642 30 20 CHED C=CCOc1ccc(CN(CC)CC(C)C)cc1OC 507133126 ZBHAIMYWPQXYMC-UHFFFAOYSA-N 277.408 3.738 30 20 CHED N#Cc1ccc(Cl)c(C(=O)NC2(c3ccccc3)CC2)c1 509182484 IMUZAEIHINXDHH-UHFFFAOYSA-N 296.757 3.631 30 20 CHED Cc1cc(NC[C@@H](C#N)CCC#N)ccc1C1CC1 514767639 OZHIUZGWRXGLLK-CYBMUJFWSA-N 253.349 3.728 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2c2ccnc(C#N)c2)c1 515306504 MPOXMZBPJPOZDI-GOSISDBHSA-N 277.371 3.912 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCCC[C@H]1C 522035538 XZLQCIGMXPEUDB-CVEARBPZSA-N 291.435 3.976 30 20 CHED N#Cc1cnc(NCCc2cccc(Cl)c2)c(Cl)c1 524233753 WRNSHMRCANLIKW-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)cc1 524811661 GAJXYLHZDFPTCB-PBHICJAKSA-N 256.393 3.959 30 20 CHED CC(C)(C)[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 525209195 GMJARDFWYVDXLB-MRXNPFEDSA-N 284.403 3.528 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(OC(F)F)cc1 526949793 FWQOOSIQTYAQJY-MRXNPFEDSA-N 297.345 3.549 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1cccc(CC#N)c1 529469136 RCJOFNRWKILNIG-OAHLLOKOSA-N 292.382 3.878 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 529492446 UONYZAOVPATUHQ-QWHCGFSZSA-N 264.413 3.647 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2[nH]cc(C)c2c1 529702716 JNHOECLYDXYLRG-UHFFFAOYSA-N 269.348 3.745 30 20 CHED C=CCCN(Cc1cc(OC)ccc1OC)C(C)(C)C 531888810 PDSACTUOVDJLGW-UHFFFAOYSA-N 277.408 3.880 30 20 CHED COCCNc1ccc(-c2ccc(C)cc2)cc1C#N 536956388 YZPSUYCQMKDVAA-UHFFFAOYSA-N 266.344 3.592 30 20 CHED Cc1cc(C)c(CC(=O)N[C@H](C#N)C2CCCCC2)c(C)c1 540223443 LCSXWHYEYZWYKC-GOSISDBHSA-N 298.430 3.743 30 20 CHED Cc1cccc(OC[C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 540596042 JHSZPLOKKIYDHN-HZPDHXFCSA-N 294.398 3.985 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@H](C)c1ccccc1 542536494 HMABKAFMZBNDPL-LSDHHAIUSA-N 274.408 3.834 30 20 CHED C=C(C)C[C@H](C)C(=O)NCc1ccc(OCC)c(Cl)c1 551338734 UJTTWUSQWJKIPW-LBPRGKRZSA-N 295.810 3.957 30 20 CHED N#Cc1ccc(-c2nc(-c3ccco3)no2)cc1Cl 551410249 BFGDIBFZPCOQLW-UHFFFAOYSA-N 271.663 3.522 30 20 CHED CC(C)(C)CCCCC(=O)N1CCC(CC#N)CC1 553460816 XUYLDPHQDMVENS-UHFFFAOYSA-N 264.413 3.745 30 20 CHED COC[C@@H](c1ccc(Cl)cc1)N(C)CCC(C)(C)C#N 554257682 JAQNEIMXQFROEC-HNNXBMFYSA-N 294.826 3.899 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(C2CCCC2)cc1 555277133 PJBOHPGSPXPVFP-KRWDZBQOSA-N 270.376 3.766 30 20 CHED C=CCOCCN1CCCCC[C@@H]1c1ccc(OC)cc1 555299217 AGSXBXJKXDOKKV-GOSISDBHSA-N 289.419 3.815 30 20 CHED C=CCOCCN1CCC(=Cc2ccccc2F)CC1 555379703 CLJDXIIORRGVJX-UHFFFAOYSA-N 275.367 3.508 30 20 CHED Cn1cc(CN2CC[C@@H](c3cccc(Cl)c3)C2)cc1C#N 560569703 PQAXTQFAWXGUTD-OAHLLOKOSA-N 299.805 3.540 30 20 CHED CC(C)c1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1 561018016 QGTCDRPLHXKEHJ-NVXWUHKLSA-N 256.393 3.934 30 20 CHED N#Cc1cc(Oc2ccc(OC3CCCCC3)cc2)ncn1 562421639 IFOPHYGTIPERIE-UHFFFAOYSA-N 295.342 3.852 30 20 CHED C[C@@H]1CC=C(C(=O)N[C@@](C)(C#N)C2CCCCC2)CC1 565875202 FQQLMIYXCCPMGX-DYVFJYSZSA-N 274.408 3.712 30 20 CHED C=CCCCCCN(C)C(=O)CC[C@H](N)c1ccccc1 572511259 GDZOCZPJKCFCQF-KRWDZBQOSA-N 288.435 3.671 30 20 CHED C=CCN(CCc1cccc(C)n1)Cc1ccccc1 575056025 PUHFNCVPQITFPT-UHFFFAOYSA-N 266.388 3.621 30 20 CHED C=CCN(C(=O)N[C@@H](C)[C@H](C)C1CCCCC1)C1CC1 577899344 QZZMXLCTOVRBEX-KBPBESRZSA-N 278.440 3.951 30 20 CHED C=CCC(C)(C)c1noc(COc2cccc(OC)c2)n1 579213531 HOHFSWSUYFCKMS-UHFFFAOYSA-N 288.347 3.511 30 20 CHED C=CC[C@H]1N(C(=O)c2cnc(CC)s2)CCCC1(C)C 580610014 IFMDJZQNBQVBBV-CYBMUJFWSA-N 292.448 3.912 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(n1)CCC2 581484856 SIHKQBVHIBNUIC-CQSZACIVSA-N 291.398 3.635 30 20 CHED C=CCCCCN(C)C1CCN(CCC(F)(F)F)CC1 581707883 GCADFYLDWSEHPG-UHFFFAOYSA-N 292.389 3.691 30 20 CHED COc1ccc(/C=C\C(=O)c2sccc2OC)cc1F 588489028 JQRVLZDYFFXXKP-HYXAFXHYSA-N 292.331 3.801 30 20 CHED CC(C)c1ccc(NC(=O)N2CC(C#N)C2)c(C(C)C)c1 590105628 WVQNFPNSZKRNSV-UHFFFAOYSA-N 285.391 3.921 30 20 CHED C[C@H](NC(=O)[C@]1(C)CCC[C@H]1C)c1cccc(C#N)c1 590676074 XPRIYWGJBSWICG-IIYDPXPESA-N 270.376 3.562 30 20 CHED C=CCCSCCN[C@@H]1CCCc2nc(CC)sc21 595058286 GLACFWJNHIREJS-GFCCVEGCSA-N 296.505 3.982 30 20 CHED N#Cc1ccc(CCN2CC[C@H](c3cccc(F)c3)C2)cc1 595300747 UJVDSZNCDZJBKI-SFHVURJKSA-N 294.373 3.729 30 20 CHED Cc1ccc(CSCCc2ccc(C#N)cc2)nc1 596353680 YZGYBXDVPGRSOQ-UHFFFAOYSA-N 268.385 3.738 30 20 CHED CCc1nc(NC(=O)CC2(C#N)CCCCC2)sc1C 596853568 RPFLBAVLHLOLGL-UHFFFAOYSA-N 291.420 3.817 30 20 CHED CCCCOc1ccccc1CN1CCC[C@@H](CC#N)C1 597175739 DILPLBLJRFPPHO-INIZCTEOSA-N 286.419 3.991 30 20 CHED N#CC1(CC(=O)Nc2ccc(Cl)cc2O)CCCCC1 597442462 KZCAFHFLBBKXSB-UHFFFAOYSA-N 292.766 3.848 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)CC1(C#N)CCCCC1 597471562 PBYNDNJRVIIKCS-UONOGXRCSA-N 262.397 3.640 30 20 CHED N#CCc1cccc(NC(=O)C2CCC3(CC2)CC3)c1 597751848 RPULEZIGNQSRAZ-UHFFFAOYSA-N 268.360 3.662 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc(-c2ccccc2)oc1C 599232602 BYZGBYBBYVIQOT-QGZVFWFLSA-N 282.343 3.677 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)c1ccccc1CC#N 601607055 FIALMCLFIOLHBM-CQSZACIVSA-N 270.376 3.617 30 20 CHED CC[C@@H](NCc1cccc(C#N)n1)c1cccc(Cl)c1 602510752 NBZSFPCMOSKKHY-MRXNPFEDSA-N 285.778 3.848 30 20 CHED COc1ccc([C@@H](C)CCNC[C@H](C)CCC#N)cc1 602556717 LUDIIABGFFLXIB-CABCVRRESA-N 274.408 3.718 30 20 CHED CCN(CC1(CC#N)CC1)[C@H](C)c1cccc(OC)c1 602765730 YRMPLDPMRNITJO-CQSZACIVSA-N 272.392 3.772 30 20 CHED COCCCC[C@H](NCC1(CC#N)CC1)c1ccccc1 602822254 ULJZGRZENSFTHD-KRWDZBQOSA-N 286.419 3.828 30 20 CHED C=CCCSc1ncnc2sc3c(c12)CCC3 606756114 ROULJWZKGADDKU-UHFFFAOYSA-N 262.403 3.848 30 20 CHED CCN(CC#N)CCSc1cc(Cl)ccc1Cl 609798662 YHYRUZRZXNROBR-UHFFFAOYSA-N 289.231 3.931 30 20 CHED N#Cc1c[nH]c2c(F)ccc(F)c2c1=NC[C@H]1CC=CCC1 610274278 HCTYNRMSZULYQO-NSHDSACASA-N 299.324 3.575 30 20 CHED N#Cc1cc(Cl)ccc1SCc1cccnc1 610655061 OROYYHQGQDHHRS-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C[C@H]1CCC[C@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 611142264 IOZSLPHPNUMPNA-QPUJVOFHSA-N 297.185 3.783 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C#N)cc1 611553993 AOIAGORDCGZSBV-SMDDNHRTSA-N 282.309 3.721 30 20 CHED CC[C@@H](C)CCCCC(=O)N[C@](C)(C#N)C(C)C 612006033 CUIYQFOBZYBQIL-UKRRQHHQSA-N 252.402 3.647 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(-c2ccc(F)cc2)no1 614396217 IRWJLTPKAPZTTP-CYBMUJFWSA-N 288.322 3.565 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCC(=O)C(C)(C)C)C1 617779050 UEHVOMVWSYDZCK-CQSZACIVSA-N 279.424 3.587 30 20 CHED C=C[C@@H](CC(=O)NCCCOC(C)(C)C)c1ccccc1 618334922 FOHUPOIKOWHWJT-HNNXBMFYSA-N 289.419 3.668 30 20 CHED CC(C)[C@@H](NCc1ccc(C#N)c(Cl)c1)C1CC1 619755489 YXMBRPSPXATFQS-OAHLLOKOSA-N 262.784 3.736 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 620857578 BGYCKVMOWKMQIX-CABCVRRESA-N 281.440 3.689 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 626066659 NMOIZTHATINSJV-SSDOTTSWSA-N 293.672 3.543 30 20 CHED C=CCCCC[C@H](C)NC[C@](C)(C(=O)O)c1ccccc1 650804659 IYOYXENFUJECFW-YJBOKZPZSA-N 289.419 3.753 30 20 CHED C=CCCCCCN(C)C(=O)NC1CC2(CCC2)C1 651455484 PTBFAXOWEARQGU-UHFFFAOYSA-N 264.413 3.707 30 20 CHED C=CCCNC(=O)N[C@@H](CCC)c1ccc(F)cc1F 660891497 GSOWMTNNJMHYJG-AWEZNQCLSA-N 282.334 3.681 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccsc2)C1 661134055 YDFIJAUJXWKFOL-CHWSQXEVSA-N 278.421 3.807 30 20 CHED C=CCCNC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 661564756 DTQSHLNIGZVCSB-MRXNPFEDSA-N 284.403 3.889 30 20 CHED C=CCC1(N[C@H](C)CCc2cccc(F)c2)CCOCC1 668552433 LZEOLBCFRYZQQT-OAHLLOKOSA-N 291.410 3.862 30 20 CHED C=C(CNC(=O)[C@@H](C)Cc1cccc(F)c1)c1ccccc1 672480947 GYZCMVONASQOTK-AWEZNQCLSA-N 297.373 3.834 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC(F)(F)C1 675662285 WDFSBPDZABRWGW-LBPRGKRZSA-N 274.355 3.562 30 20 CHED N#Cc1cccc(CNCc2ccsc2C(F)(F)F)c1 704326292 JCJLQEOOZMNFAO-UHFFFAOYSA-N 296.317 3.928 30 20 CHED C#CCN(C(=O)c1ccc(F)cc1C)C1CCCCC1 708463756 ZUVNIKBRHFHVAA-UHFFFAOYSA-N 273.351 3.542 30 20 CHED N#Cc1cc(F)cc(NCc2cccc(Cl)c2O)c1 718620620 ZIBJIIRGNFZCSS-UHFFFAOYSA-N 276.698 3.668 30 20 CHED FC(F)(F)CC(=NNC1CCCC1)c1ccccc1 727651651 KBTCVBONSDWABW-UHFFFAOYSA-N 270.298 3.875 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCCOc2ccccc21 728427891 YMJVMOJQFFHBAN-UHFFFAOYSA-N 297.314 3.584 30 20 CHED C#CCOc1cccc(OC(=O)[C@H](CC)c2ccccc2)c1 730498163 OYOQBXCEEOFNOD-GOSISDBHSA-N 294.350 3.798 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1ccc(C(=O)O)cc1 731317593 AXOQJTURWASSLM-WTKPLQERSA-N 284.286 3.728 30 20 CHED CC(C)n1cc(C=NNc2ccccc2C(F)(F)F)cn1 732710896 WYWSSEJPRPXZKS-UHFFFAOYSA-N 296.296 3.929 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)SCCCC)c1ccncc1 734233933 CDYGIGYVRWSOQR-HIFRSBDPSA-N 292.448 3.737 30 20 CHED Cc1ccc(F)c(C=NNc2nncc3ccccc23)c1 734977457 SRXYOWNRLHOLIN-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C=C(Cl)CNC(=O)CCc1ccc(-c2ccccc2)o1 736240937 UTGDVNSSIJQHIH-UHFFFAOYSA-N 289.762 3.748 30 20 CHED CCCCC[C@@H](NC(=O)[C@H](C)C#N)c1ccccc1 736676814 VIONQZTUYCCZPZ-UKRRQHHQSA-N 258.365 3.584 30 20 CHED N#Cc1c(Cl)nsc1NCC(C1CC1)C1CC1 742427651 NKICQIILVJPEIB-UHFFFAOYSA-N 267.785 3.516 30 20 CHED C#CCCCNC(=O)N[C@H](CC(C)C)c1ccccc1C 743692775 BDPRXXNAIOAYTH-QGZVFWFLSA-N 286.419 3.795 30 20 CHED C#C[C@H](C)OC(=O)c1sc2cc(F)ccc2c1Cl 744179105 XLHHLVYCZUARBO-ZETCQYMHSA-N 282.723 3.872 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1ccncc1 745827402 JTIVNAPCOPFVTN-YESZJQIVSA-N 299.418 3.673 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CC)C(C)(C)c1ccccc1 745838110 KFLMIBWPTRVSNZ-CQSZACIVSA-N 294.826 3.795 30 20 CHED N#Cc1ccc(C=NNc2ccc(C(F)(F)F)cc2)o1 746576896 RKYVKIMQTLUIOB-UHFFFAOYSA-N 279.221 3.616 30 20 CHED CCN(CCCC(C)(C)C#N)c1ccc(OC)cc1 746663618 SUUVFLVLGFYKHX-UHFFFAOYSA-N 260.381 3.851 30 20 CHED CC(C)Oc1ccc(N=Cc2cccc(O)c2O)c(F)c1 748035050 YXLYRQGUGXANDJ-UHFFFAOYSA-N 289.306 3.775 30 20 CHED C[C@@H](OC(=O)c1ccc(N(C)C)cc1)c1ccc(C#N)cc1 748679623 IOKFPMMCWYOARQ-CYBMUJFWSA-N 294.354 3.542 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 749587132 ADIAOXCUZZPTLG-ALCCZGGFSA-N 283.283 3.505 30 20 CHED COc1cc(C)c(C=NN[C@@H](C)c2ccccc2)cc1OC 751525518 HGKCQJADGXVMMM-AWEZNQCLSA-N 298.386 3.697 30 20 CHED CCOc1ccccc1C=NOCc1ccc(F)cc1F 753973029 AHXUXVATGCDMOI-UHFFFAOYSA-N 291.297 3.914 30 20 CHED C#CCOC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 754310620 MBUJTJBFLQBNET-UHFFFAOYSA-N 299.153 3.523 30 20 CHED C#C[C@H](CC)NC(=O)c1c(-c2ccccc2)oc(C)c1C 754391092 ZNYFZLZDCSJNQG-OAHLLOKOSA-N 281.355 3.705 30 20 CHED Oc1ccc(/C=N/Cc2ccc(C3CCC3)cc2)c(O)c1O 754822773 NSRMJCAYJPUNTR-YBFXNURJSA-N 297.354 3.690 30 20 CHED CCCCCCCCNC(=O)c1cccc(C)c1[N+](=O)[O-] 754890342 AGHISBHFWBWEEW-UHFFFAOYSA-N 292.379 3.994 30 20 CHED COC(=O)c1cccc(CNc2cc(C)ccc2C)c1C#N 755422968 YMCFTNWOROYISS-UHFFFAOYSA-N 294.354 3.574 30 20 CHED Cn1c(NN=C[C@H]2C[C@@H]2c2ccccc2)nc2ccccc21 755647962 HEJMASHHIGJFOQ-HUUCEWRRSA-N 290.370 3.775 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1c[nH]c2cc(Cl)ccc12 756014776 SSZIEERDBQPFPR-JTQLQIEISA-N 277.751 3.872 30 20 CHED C=CCN(C(=O)N[C@@H](C)CCCC(F)(F)F)C(C)C 756040260 ISHWMLWAGUZGRE-NSHDSACASA-N 280.334 3.714 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)Cc2cc(F)ccc21 759085268 UPGXIKNBCDEWHX-YVMONPNESA-N 279.723 3.758 30 20 CHED C#CCCCC(=O)N(CC)C[C@@H](CC)c1ccccc1 759202821 RAPLBSNKXPIBMD-MRXNPFEDSA-N 271.404 3.832 30 20 CHED COc1cc(F)cc(NN=Cc2cc(C)ccc2C)c1 759209590 GKCCXYHHKGFDOW-UHFFFAOYSA-N 272.323 3.897 30 20 CHED C=CCCC(=O)COC(=O)c1cc2ccc(F)cc2s1 761371678 LXEFKLKGFAQEJL-UHFFFAOYSA-N 292.331 3.733 30 20 CHED C#CCCc1noc(C[C@H](CC)c2ccc(C)cc2)n1 762010896 DDIUNKSLSPCAOV-AWEZNQCLSA-N 268.360 3.680 30 20 CHED CCC[C@@H](C(=O)Oc1ccc(C#N)cc1OCC)C(C)C 764157209 RHPPXYGDJXUZMD-CQSZACIVSA-N 289.375 3.935 30 20 CHED CC(C)=C(C)C(=O)N(C)c1cc(Cl)ccc1C#N 764272038 JODNLKFTYAJVGM-UHFFFAOYSA-N 262.740 3.531 30 20 CHED CCCCCCC[S@](=O)c1ccc2c(c1)OCCO2 764547297 JUYNSXCLPIPAPL-IBGZPJMESA-N 282.405 3.536 30 20 CHED CC(CCc1ccsc1)=NNc1ccnc(F)c1 764907877 PTIOSLRZWLJCFC-UHFFFAOYSA-N 263.341 3.703 30 20 CHED CC(C)(C)c1nc(C(=O)O[C@H](C#N)C(C)(C)C)cs1 765635324 VSSYRAKXVIAZKP-SNVBAGLBSA-N 280.393 3.536 30 20 CHED C#CCCOc1cc(Cl)c(Cl)cc1C(C)=O 766117620 OSBXXPTUMNYQGN-UHFFFAOYSA-N 257.116 3.598 30 20 CHED CC(C)(Oc1ccc(C#N)cc1)C(=O)OC1CCCCC1 766237251 LUWHRXPMFHSPQT-UHFFFAOYSA-N 287.359 3.592 30 20 CHED CC(C)(C)Oc1cccc(C/N=C/c2ccccc2O)n1 767878999 RJEOPEPLQOPCTN-WOJGMQOQSA-N 284.359 3.584 30 20 CHED C#CCCN(Cc1cc(C)sc1C)CC(F)(F)F 767899066 DTQAWEVBJFQJQG-UHFFFAOYSA-N 275.339 3.753 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)Cc1cccs1 767976625 GQIJAGPPVQPWNL-UHFFFAOYSA-N 299.395 3.835 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)c1ccsc1 767984245 QDMUJGYFDYFFPP-UHFFFAOYSA-N 285.368 3.906 30 20 CHED Cn1c(NN=C2CC[C@H]2c2ccccc2)nc2ccccc21 769782119 VCHCCEVRUKADKH-AWEZNQCLSA-N 290.370 3.919 30 20 CHED Cc1ncc(CC/N=C\c2c(O)ccc3ccccc23)s1 771837185 UWMDEVKZCLWFNB-WQRHYEAKSA-N 296.395 3.972 30 20 CHED CCCCCCCCNC(=O)N[C@H]1CCO[C@H](C(C)C)C1 772025847 ABWVESOZPAXKBA-HOTGVXAUSA-N 298.471 3.850 30 20 CHED N#CCc1ccc(COC(=O)c2ccccc2Cl)cc1 776114997 RMRBDJFPAJOSBX-UHFFFAOYSA-N 285.730 3.763 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CC[C@@H]2SCCS[C@H]21 776167333 CQKOGOTYHJEKLM-CRWXNKLISA-N 271.495 3.700 30 20 CHED N#C[C@H](OC(=O)c1cccc(Cl)c1N)C1CCCCC1 776370085 YJGZVOGUJRRSAI-ZDUSSCGKSA-N 292.766 3.551 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)OCCC(C)(C)C#N 776386195 OPXHRVQNGPTVIH-CQSZACIVSA-N 273.376 3.972 30 20 CHED FC(F)(F)CCON=CCSCc1ccccc1 777458488 BEKNVRKSAYDEPE-UHFFFAOYSA-N 277.311 3.875 30 20 CHED CC(C)O[C@@H]1CC(=NOCCC(F)(F)F)C1(C)C 777462861 OYWCIEVMXUKJHO-SNVBAGLBSA-N 267.291 3.535 30 20 CHED CC(C)CN(CCC#N)Cc1ncc(Cl)cc1Cl 777587994 BUSPSYXKIUIJGG-UHFFFAOYSA-N 286.206 3.760 30 20 CHED CC1(C)C[C@H](/N=C\c2cc(Cl)ccc2O)C(C)(C)O1 777874038 YGOVZVRBGUZDIM-OLWAXZHHSA-N 281.783 3.811 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)c1 777915787 ZCIHTWRCEXDLFC-VURMDHGXSA-N 285.274 3.938 30 20 CHED C=CC[C@@H](C(=O)OCC(=O)C(C)(C)C)c1ccccc1 778431002 YVSIUDCJZPLBHL-CQSZACIVSA-N 274.360 3.505 30 20 CHED CCCCCCCCC(=O)N(C)C[C@H]1CCCC[C@H]1O 778504103 KAQNGVGIHSRWJI-HZPDHXFCSA-N 283.456 3.747 30 20 CHED CC[C@@H]1CCCCC1=NNc1cccc([N+](=O)[O-])c1 779757429 FRRQVGLFUXEXDW-LLVKDONJSA-N 261.325 3.963 30 20 CHED Cn1cc(C=NNc2ccc3[nH]ncc3c2)c2ccccc21 779820019 AUSCWVCBKZKRHP-UHFFFAOYSA-N 289.342 3.501 30 20 CHED C#CCCCCCC(=O)N(CCC#N)c1ccc(F)cc1 780932251 MGMRPIMCMKHUAH-UHFFFAOYSA-N 286.350 3.656 30 20 CHED CC(C)(C#N)CCCOC(=O)CC1CCCCC1 781943657 NZFPHUBPSOHWPH-UHFFFAOYSA-N 251.370 3.830 30 20 CHED Cc1cc(C)cc(NC(=S)N2CCC[C@@](C)(C#N)C2)c1 783772164 CEXLXZPRMIKTCU-INIZCTEOSA-N 287.432 3.626 30 20 CHED Cc1ccnc(N2CCC[C@@H]2c2ccc(F)c(F)c2)c1C#N 784159012 IAMDWWRPBLBCGA-MRXNPFEDSA-N 299.324 3.881 30 20 CHED C#CCCCCC(=O)OC[C@@H]1CCC2(CCCCC2)O1 786303618 MYLHNGORPMUXST-HNNXBMFYSA-N 278.392 3.605 30 20 CHED C=CCC[C@@H](NC[C@@H](O)c1cc(F)cc(Cl)c1)C1CC1 787032415 DBMMRQHZBNVSSI-HZPDHXFCSA-N 297.801 3.847 30 20 CHED C[C@@H](CCC#N)CNc1cccc(-c2cnco2)c1 787770424 QEBBFPCPPDUABK-LBPRGKRZSA-N 255.321 3.693 30 20 CHED N#CC1(N(C(=O)C2CCCCCCC2)C2CC2)CCC1 791003813 VBJZOVCCQIUEIS-UHFFFAOYSA-N 274.408 3.784 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1c1cccc(C)c1C 791059934 WSSPOTLRVOOTCO-WMZOPIPTSA-N 298.430 3.952 30 20 CHED Clc1cccc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)n1 793174812 MZQQJGRGLZDKCC-KKOKHZNYSA-N 275.783 3.959 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(CCC#N)CC(C)C 793239461 ABDYMXJCHBTKCO-CABCVRRESA-N 264.413 3.601 30 20 CHED CC(C)CON=C1CCC(CNC(=O)OC(C)(C)C)CC1 794924134 VBZOAFKGZYAMHP-UHFFFAOYSA-N 298.427 3.730 30 20 CHED C=CCNN=Cc1csc(-c2ccc(Cl)cc2)n1 795002830 AGUBZQIUJYKJDP-UHFFFAOYSA-N 277.780 3.573 30 20 CHED CCCc1nc(C)c(C(=O)O[C@H](C)c2cccc(C#N)c2)o1 796548028 IRPJGVCGDLAXGD-GFCCVEGCSA-N 298.342 3.725 30 20 CHED Cc1ccnc2ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc12 797178111 NAOTWMFXZYOWKI-LBPRGKRZSA-N 282.343 3.638 30 20 CHED C[C@H]1C[C@@H]1CNc1ccc(OC(F)(F)F)c(C#N)c1 799738676 JDEQUCHVZDFQKH-WCBMZHEXSA-N 270.254 3.525 30 20 CHED c1ccc2sc(NN=C3CCC34CCOCC4)nc2c1 799865887 NJJWCYPNPDHVMC-UHFFFAOYSA-N 287.388 3.655 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(C)c(C)o2)cc1OC 799898380 YEEKTHLKJOCSMX-ALCCZGGFSA-N 286.327 3.810 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1CCO[C@H](C)C#N 801915216 LATMHDCKTPWSPR-NXHRZFHOSA-N 286.419 3.573 30 20 CHED C[C@H](C#N)OCCN(C)c1ccc(Oc2ccccc2)cc1 801930603 FDNBSBVUHCUKSO-OAHLLOKOSA-N 296.370 3.844 30 20 CHED C[C@H]1C[C@@H]1[C@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1 801938026 BYSGUHKRISCRTB-SHUKQUCYSA-N 292.810 3.555 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(N(C)C)cc1 806177878 LXRTYJYKCSBBGH-CQSZACIVSA-N 273.424 3.733 30 20 CHED CCCCCC[C@H](C)NC(=O)NCC(C)(C)CCC#N 806286253 XICUSFNPNMIVBP-AWEZNQCLSA-N 281.444 3.974 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc(-c3ccco3)s2)no1 806556790 ZKFOIKBXZCBLDD-SNAWJCMRSA-N 286.312 3.596 30 20 CHED CC1(c2ccccc2)CCC(=NN[C@@H]2CCSC2)CC1 808001689 OABCLOULRVQENT-TZHYSIJRSA-N 288.460 3.969 30 20 CHED Oc1ccc(Cl)cc1/C=N/C[C@@H]1COc2ccccc21 809144353 LEYAGGAZOWSJTG-VGTRTNLYSA-N 287.746 3.641 30 20 CHED CCCCc1ccc(C(=O)/C=C/c2cnccn2)cc1 809152824 KVCAXLHKJANHIW-MDZDMXLPSA-N 266.344 3.715 30 20 CHED C#Cc1ccc(CNc2ccc(SCCCO)cc2)cc1 809600862 RKBKGENPDXJCLI-UHFFFAOYSA-N 297.423 3.755 30 20 CHED CON=CC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 809698854 HOFYCNTXLPRAEI-CQSZACIVSA-N 296.370 3.505 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccccc1O 809705722 XSXXJUAKDMKJRP-UHFFFAOYSA-N 299.418 3.748 30 20 CHED C#Cc1ccc(CN[C@H](C)CCOCc2ccccc2)cc1 809781887 CPJQDTPBKXIDHY-QGZVFWFLSA-N 293.410 3.753 30 20 CHED CC(C)=CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 810820607 YTINDPOKGJRJRF-UHFFFAOYSA-N 293.326 3.650 30 20 CHED N#Cc1c(F)cccc1/C=C1\CCOc2ccccc2C1=O 811689567 GZZVFCQARFPYBL-JLHYYAGUSA-N 293.297 3.746 30 20 CHED C#C[C@@H](C)NC(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 812040214 ONUHYVOGRRCEAB-WBMJQRKESA-N 298.386 3.759 30 20 CHED C(=NOC[C@H]1CCOC1)c1ccc(C2CCCC2)cc1 812230145 PCDJFAREUJMJES-HNNXBMFYSA-N 273.376 3.731 30 20 CHED CCc1ccc(N=Cc2c(O)cccc2OC)cc1 812390480 YBGUHJJLCFDUNF-UHFFFAOYSA-N 255.317 3.714 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1cccc([N+](=O)[O-])c1 814694522 NYFFICYOHYQJSN-CYBMUJFWSA-N 286.335 3.713 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(CCC)cc1 814772113 NTJCGBLWSYEWQC-UHFFFAOYSA-N 253.292 3.789 30 20 CHED COCC(=NNc1cccc(F)c1)c1ccc(Cl)cc1 814814874 CQLIIFSOXLCMLM-UHFFFAOYSA-N 292.741 3.942 30 20 CHED Fc1cccc(NN=C2COc3cccc(Cl)c32)c1 814815034 KEVQBFXJSJUNHJ-UHFFFAOYSA-N 276.698 3.688 30 20 CHED CCC(CC)NN=Cc1ccc2ccc(F)c(F)c2n1 814851786 VAOXXKSIUKAKTG-UHFFFAOYSA-N 277.318 3.625 30 20 CHED CC[C@H](C=NNc1ccnc(F)c1)c1ccccc1 814901131 ZGAXZJHDZAWFIN-GFCCVEGCSA-N 257.312 3.812 30 20 CHED CC(=NNC1CC1)c1ccc2ccccc2c1OC(F)F 814902485 DXBZBCMVMXHFBE-UHFFFAOYSA-N 290.313 3.917 30 20 CHED C[C@H](COc1ccccc1)NN=C1CC[C@@H]1C1CCC1 814934181 NZHXWSYKSWOOIW-CZUORRHYSA-N 272.392 3.610 30 20 CHED CCOc1ccc(NN=C2CCc3ccc(OC)cc32)cc1 814985664 OBNAYVCDQRWJEC-UHFFFAOYSA-N 296.370 3.856 30 20 CHED N#C[C@H]1CC[C@@H](/N=C\c2c(O)ccc3ccccc23)C1 818991782 JNMIIWCCPKZRTM-HWJIZBIFSA-N 264.328 3.657 30 20 CHED Cc1cc(C)c(C=NN[C@H](C)c2ccncc2)c(C)c1 819815219 NXLFEZGEIFPZKJ-OAHLLOKOSA-N 267.376 3.692 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(-c2noc(C)n2)cc1 819937891 YKSKWKUSGQXPMJ-UHFFFAOYSA-N 286.331 3.553 30 20 CHED CCCCCCCC(=O)N1CCc2ncc(C)cc21 821651393 WKGMVVCFHBWDMY-UHFFFAOYSA-N 260.381 3.640 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCCc2nc(C)ncc21 823855156 ICOKCNZSNGESCT-BBRMVZONSA-N 273.424 3.887 30 20 CHED C=C(C)CCNC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 824751355 UMJFEGZFKGZHPY-HUUCEWRRSA-N 296.455 3.578 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)OCc1ccc(CC#N)cc1 835273911 TVWQYFYJKXTQCL-GUYCJALGSA-N 271.360 3.622 30 20 CHED C=C[C@@](C)(CC)COC(=O)C1(C(F)(F)F)CCC1 835335748 DOVXCKIDBWQNJW-NSHDSACASA-N 264.287 3.865 30 20 CHED C=C[C@](C)(CC)COC(=O)c1sc(COCC)nc1C 835336199 HEWVDVCQVOZNEG-OAHLLOKOSA-N 297.420 3.747 30 20 CHED N#Cc1ccc(F)cc1COC(=O)[C@H]1CCCCC1(F)F 837825496 SBQPANMWOJOWPE-CYBMUJFWSA-N 297.276 3.566 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ccc2cc(C)ccc2n1 839041105 TUSPVHUENWJYSP-CYBMUJFWSA-N 267.328 3.502 30 20 CHED Fc1cccc(N2CCCC2)c1C=NOCc1ccccc1 839420188 XAHOVFVHXYBSDX-UHFFFAOYSA-N 298.361 3.977 30 20 CHED Cc1ccc(OC(=O)CCCC#N)c2ccccc12 839429943 DYGAFAURBAZRDG-UHFFFAOYSA-N 253.301 3.748 30 20 CHED CC[C@](C)(C/N=C/c1c(O)ccc2ccccc12)OC 840708707 YJGMHQWLKGAXIT-AUUUKSDWSA-N 271.360 3.779 30 20 CHED CCN(CCO)N=C1CCC[C@H](c2ccc(Cl)cc2)C1 842537601 CMCHATWZYQEYPU-AWEZNQCLSA-N 294.826 3.668 30 20 CHED C=C(C)CON=C(CC(F)(F)F)c1ccccc1 844617556 NLBUXMRWZCMUDA-UHFFFAOYSA-N 257.255 3.936 30 20 CHED Cc1cc(C)c2c(c1)CCC2=NOCC(F)(F)F 848407823 VOVCCQAJTTVNRC-UHFFFAOYSA-N 257.255 3.533 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1cncc(COC)c1 851141604 BQXPMGDTESZBCW-GDBMZVCRSA-N 289.375 3.520 30 20 CHED C=C(C)[C@@H](NC(=O)N[C@@H]1C=CCC1)c1ccc(F)c(F)c1 852257165 JTQGOPASLSFPOU-IUODEOHRSA-N 292.329 3.600 30 20 CHED CC(=NNc1ccc(Cl)cn1)C1CCSCC1 853437187 FAJPWHRJIJNVHF-UHFFFAOYSA-N 269.801 3.666 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCC=C(Cl)Cl 853783487 DTHONJXJLVZBRI-SNVBAGLBSA-N 296.263 3.852 30 20 CHED C/C(=C/C(=O)NCC1CCC(C#N)CC1)c1cccs1 857224174 FETAZFBCMZVDOS-XFXZXTDPSA-N 288.416 3.598 30 20 CHED C=C[C@H](CC(=O)OCC(C)(F)F)c1ccccc1 861225020 SPRKIMKOLNLBEI-LLVKDONJSA-N 254.276 3.545 30 20 CHED S=c1[nH]c2ccccc2nc1NN=C1CCSCC1 863129997 ZNQIVZMXFWHTTC-UHFFFAOYSA-N 290.417 3.587 30 20 CHED CCOc1cc(C#N)ccc1OCCC(F)=C(F)F 863258136 DTUHVNAZPGIBNA-UHFFFAOYSA-N 271.238 3.803 30 20 CHED C=C(C)C[C@@H](NCc1ccc(Cl)c(Cl)c1)C(=O)O 864530974 RKPFKHLBLFLWCQ-GFCCVEGCSA-N 288.174 3.502 30 20 CHED COc1ccc2c(c1)C/C(=C/c1scnc1C1CC1)C2=O 865227960 YYVLTLBEONODPI-WQLSENKSSA-N 297.379 3.852 30 20 CHED CCC[C@@H](C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 876166106 MCCANUYMECFWLA-SNVBAGLBSA-N 264.756 3.611 30 20 CHED C#CCCCCCCNCc1cc(COC)cs1 877630768 MEDXLIDATKDLAE-UHFFFAOYSA-N 265.422 3.568 30 20 CHED C=CC(C)(C)CC(=O)N1CCOc2ccccc2[C@@H]1C 880779707 OZSQIXYPHNQZTL-ZDUSSCGKSA-N 273.376 3.571 30 20 CHED C=C1CCC(C(=O)N[C@H](CC(F)(F)F)C(C)C)CC1 890118069 GJPAPPDCEIKWPF-GFCCVEGCSA-N 277.330 3.826 30 20 CHED Cc1coc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1 892800559 CJQBLKQBHPADPB-JTQLQIEISA-N 274.345 3.658 30 20 CHED N#C[C@@H]1CCCN(c2cc3ccc(F)cc3c(Cl)n2)C1 895650573 WQVGCDAUGJOWQG-JTQLQIEISA-N 289.741 3.767 30 20 CHED C=C1CC(c2noc([C@H](C)c3c(F)cccc3F)n2)C1 896883422 PCDSZCLOWLUZMU-SECBINFHSA-N 276.286 3.933 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2C2CC2)s1 899343279 RPJNNUCCNAFFBI-VOTSOKGWSA-N 272.373 3.564 30 20 CHED Fc1ccc(NN=Cc2ccc3ncccc3c2)cc1 916268055 HCEZUDGWQJHSEP-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CC(=NNc1ccccn1)c1cc(C)ccc1OC(F)F 916275963 CQXCXXMARBFDKQ-UHFFFAOYSA-N 291.301 3.828 30 20 CHED C=CCN(Cc1coc(-c2cccs2)n1)C(C)C 917069653 TYMXNHJKQZNOKB-UHFFFAOYSA-N 262.378 3.800 30 20 CHED Clc1ccc(NN=Cc2cscn2)cc1Cl 918708338 ISIJMFPXETWVQZ-UHFFFAOYSA-N 272.160 3.896 30 20 CHED C#CCN(CC)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 919906368 YKFQDMDWADNMAN-MRXNPFEDSA-N 286.419 3.829 30 20 CHED COc1cccc(/C=C2/Cc3c(F)cccc3C2=O)c1 921263884 KGRGIYBWHFSBML-WQLSENKSSA-N 268.287 3.657 30 20 CHED C#Cc1cccc(NC(=O)/C=C(/C)c2ccc(F)cc2)c1 921278614 WXXLRCSFYWMXDX-QBFSEMIESA-N 279.314 3.849 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccnc(C(F)(F)F)c1 926508676 ANFWAIGUFADPDF-JTQLQIEISA-N 285.313 3.518 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CC(C)(C)C#N 928386708 TUFBGWRJJUOOJM-GOEBONIOSA-N 284.403 3.721 30 20 CHED CCN1CC[C@@H](N(C)CCCCC2(C#N)CCC2)C[C@H]1C 929779752 IJTQFSTXHDRZSE-IAGOWNOFSA-N 291.483 3.655 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(COCC)c1 931544792 HWQWQUDKFYAWFP-ZDUSSCGKSA-N 261.365 3.764 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2sccc2C#N)C1 931845824 KPACICLSBANRTD-CMPLNLGQSA-N 277.393 3.662 30 20 CHED C=CCN(C(=O)c1ccc(C)c2cccnc12)C(C)C 931924440 DTDGPSYCHZEJHG-UHFFFAOYSA-N 268.360 3.580 30 20 CHED CCC[C@@H](NC(=O)c1cc(C#N)ccc1C)c1ccccn1 931982980 VIZMCHJERARZGN-QGZVFWFLSA-N 293.370 3.533 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1 933093358 KDCNNHLENSWAKR-NSHDSACASA-N 293.317 3.782 30 20 CHED C=CCC[C@@H](NC(=O)CCc1cc(C)on1)c1ccccc1 934996923 QIXNJSGLAFYMLS-QGZVFWFLSA-N 298.386 3.739 30 20 CHED Cc1cccc(OCCCNc2c(C#N)cccc2C#N)c1 1116784909 CLHRZMGWTYYYBI-UHFFFAOYSA-N 291.354 3.619 30 20 CHED CCc1oc2ccccc2c1C(=O)OCC1(CC#N)CC1 1118385118 XEDCZTVJUHETSO-UHFFFAOYSA-N 283.327 3.846 30 20 CHED C=C(CC)C(=O)N([C@H](C)COC)[C@@H]1CCc2ccccc21 1123937823 XSLKYORGIULXRD-RHSMWYFYSA-N 287.403 3.504 30 20 CHED CC(C)C1CCC(CNC(=O)c2cc(C#N)cs2)CC1 1126997854 WWYPLDVWOWPYHY-UHFFFAOYSA-N 290.432 3.812 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2csc(C#N)c2)cc1 1127634010 UNFKJTRLJSBFCN-LLVKDONJSA-N 284.384 3.673 30 20 CHED Cc1cc(F)cc(C)c1C(=O)N[C@H](C)c1cccc(C#N)c1 1133501331 VDMIZPBWWVTQLQ-CYBMUJFWSA-N 296.345 3.805 30 20 CHED CNc1ccc(C(=O)Nc2cc(C#N)ccc2C)c(Cl)c1 1148863592 NRAFLFPEBQBMDK-UHFFFAOYSA-N 299.761 3.814 30 20 CHED C[C@H](Nc1cc(C#N)cnn1)c1ccccc1C(F)(F)F 1170737822 QQAWIWAINARGBE-VIFPVBQESA-N 292.264 3.540 30 20 CHED CCCCc1ccc(C(=O)[C@@H](C#N)c2nccn2CC)cc1 1263616701 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CPBIJSRNFGLFJV-INIZCTEOSA-N 272.323 3.547 30 20 CHED Cc1cc(F)cc2c(NCC3CCC3)c(C#N)cnc12 301339925 HZIFBTMBYPBXJL-UHFFFAOYSA-N 269.323 3.766 30 20 CHED Cc1cc(F)cc2c(N3C[C@@H]4[C@@H](C3)C4(C)C)c(C#N)cnc12 301466839 QHXBENCPWFDXQO-HUUCEWRRSA-N 295.361 3.646 30 20 CHED N#Cc1nc(Oc2cccc(F)c2F)ccc1Cl 301496607 BHVJDMUHNQYTBH-UHFFFAOYSA-N 266.634 3.677 30 20 CHED CCC(CC)c1cc(CNc2c(C#N)cccc2C#N)on1 302385454 ANSGYROCAUILFZ-UHFFFAOYSA-N 294.358 3.934 30 20 CHED C=CCC[C@H](Nc1ncnc(N)c1Cl)c1ccccc1 302861350 VENSORJDZKRLSP-LBPRGKRZSA-N 288.782 3.832 30 20 CHED N#CCc1cccc(Nc2ncccc2Br)c1 313432144 XTVHRNRRFWMGSL-UHFFFAOYSA-N 288.148 3.654 30 20 CHED CC[C@](C)(/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1)c1nccs1 328924406 VLNSTEQALYWPHF-HFAKWTLXSA-N 294.420 3.730 30 20 CHED CC1(C/N=C(/O)[C@H]2CCC(=O)c3cccn32)CCCCC1 329560093 IQIRWVAIJIYSJO-CQSZACIVSA-N 288.391 3.933 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1sc(C)c(C)c1C#N 330965405 CPVIQKANWORYGU-CQSZACIVSA-N 262.378 3.777 30 20 CHED N#C[C@@H]1CCC[C@H]1NC(=O)CCCC1CCCCC1 331121536 XLHZRFGETLBNCB-LSDHHAIUSA-N 262.397 3.545 30 20 CHED N#CCC1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 335671352 VDXKSLZBUYEXHM-UHFFFAOYSA-N 292.382 3.535 30 20 CHED C[C@@H](c1ccccc1)N1CCC(C#N)(c2ccccn2)CC1 335702452 XFLMIJCTPUJTLM-INIZCTEOSA-N 291.398 3.700 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)c(Cl)c1C 335987210 QRVBBSPUKQMNHT-HNNXBMFYSA-N 278.783 3.625 30 20 CHED CC(=O)Nc1ccc(NC2CCC(C)(C#N)CC2)cc1 336227289 KSRDJFPPIZRRJC-UHFFFAOYSA-N 271.364 3.529 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1CC(C)(C)C 338118462 LHFWNELSSBJUBX-OAHLLOKOSA-N 284.403 3.908 30 20 CHED C=CCOCCCN1C[C@H]2CC[C@H]1c1ccccc12 338588191 URWVBGUXALJPBH-PBHICJAKSA-N 257.377 3.513 30 20 CHED N#C[C@@H]1CC[C@H](N2CC[C@](F)(c3cc(F)cc(F)c3)C2)C1 339170910 JJHSSOQRWXUHEE-XFBWCDHKSA-N 294.320 3.528 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cccc(C2CC2)c1 340378571 ZPCRMMWBJQKJDL-ZDUSSCGKSA-N 254.377 3.908 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 341019895 XABHQUMWFATVID-BLLLJJGKSA-N 288.366 3.738 30 20 CHED CC1(C)CCC[C@@H](C(=O)N(C2CC2)C2(C#N)CCC2)C1 341607847 CDGIIOGWPRGMKD-CYBMUJFWSA-N 274.408 3.640 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC=CCC1 341761756 RSBUJUPBUFZWIS-KSSFIOAISA-N 266.388 3.882 30 20 CHED C=CCCN(C)C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1 341944741 IZLNKUFHNXBDJX-LBPRGKRZSA-N 290.411 3.771 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@H]1C1CCC1 342836914 CGYIQQQNFWUYOJ-INIZCTEOSA-N 279.424 3.541 30 20 CHED Cc1ccc(C#N)c(N2CCC=C(c3ccccc3)C2)n1 343145624 VZGNKTKMQHZRRB-UHFFFAOYSA-N 275.355 3.555 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc3ccoc3c2)cc1 343972710 WYCMJKMQPOUZOT-UHFFFAOYSA-N 276.295 3.751 30 20 CHED CSc1ccccc1CC(=O)N(CC#N)c1ccccc1 346656487 XEXAIYTZVIKZDN-UHFFFAOYSA-N 296.395 3.508 30 20 CHED C=CC1CCN(C(=O)CCSCc2ccccc2)CC1 348277329 KSJWGVZBYSBDLO-UHFFFAOYSA-N 289.444 3.735 30 20 CHED CCN(CCC#N)CCCOc1ccc2ccccc2c1 348544228 OBUCNFCKARFOHO-UHFFFAOYSA-N 282.387 3.844 30 20 CHED N#Cc1cc(NC(=O)c2occ3c2CCC3)ccc1Cl 349485589 RXQHGZRSYSWVDB-UHFFFAOYSA-N 286.718 3.546 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(F)c1Cl 352924717 CDBCOUIJFRRHFG-QMMMGPOBSA-N 256.708 3.565 30 20 CHED Cc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)nc1 353935674 VFNXCKCVPMQNLP-RTBURBONSA-N 291.398 3.662 30 20 CHED C=CCCOCCCCC(=O)N1CC2(CCCCC2)C1 355545937 XSISVYHBXXIRHE-UHFFFAOYSA-N 279.424 3.542 30 20 CHED C=CCCC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 358880268 GPTBQUFASYHDMI-JTQLQIEISA-N 266.410 3.584 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(CC)Cc1ccccc1 359109325 NOTYYLTZJLTZCV-UHFFFAOYSA-N 296.418 3.758 30 20 CHED CCCCN(C)c1c(C#N)cnc2c(C)cc(F)cc12 359674896 JRRSPKPYBNITLK-UHFFFAOYSA-N 271.339 3.790 30 20 CHED CC(C)=CCCNCc1cccc(OCCCC#N)c1 359699817 KMPFNPUCONMIOO-UHFFFAOYSA-N 272.392 3.815 30 20 CHED Cc1c(Cl)cccc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 362716977 OXHVJSXOPOPJJY-AWEZNQCLSA-N 290.794 3.803 30 20 CHED N#Cc1ccc(CNc2cccc3c2OCCC3)cc1F 364509843 VUEOEHZAROHXKI-UHFFFAOYSA-N 282.318 3.634 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C)C2(CCC2)C1 367521631 XTAHNNMVSBESJQ-ZDUSSCGKSA-N 297.402 3.911 30 20 CHED N#CCc1ccc(C(=O)N2CCC3(CCCCC3)CC2)cc1 372292032 VOLNRVOSLZEHSB-UHFFFAOYSA-N 296.414 3.939 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cncc(Cl)c1C 410726411 VECWLPZROQMCGL-UHFFFAOYSA-N 293.798 3.588 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 410833382 GQODXFDYSYVMAY-KLHDSHLOSA-N 276.424 3.744 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)cc1CC#N)C1CCC1 410961680 BAANRNNZUIFFAB-JTQLQIEISA-N 276.767 3.781 30 20 CHED C[C@@H]1[C@H](C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1(F)F 411008705 UHZFQYHDOVSHBF-GMSGAONNSA-N 298.358 3.757 30 20 CHED C[C@H]1[C@@H](Cc2ccccc2)CCN1[C@H](C)CCC#N 411301594 DKRAEMJOORWRMZ-HLLBOEOZSA-N 256.393 3.632 30 20 CHED C=C(C)CCN1CC2(CCOCC2)[C@@H]1c1ccccc1 412010318 IEHTUPGWULJERX-KRWDZBQOSA-N 271.404 3.806 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1CC(C)(C)Oc2ccccc21 412282826 CHEQTVFFFBOUFS-HOCLYGCPSA-N 299.414 3.898 30 20 CHED C=CCCCC(=O)N(C)Cc1ccc(OC)c(Cl)c1 412797135 NZRAVWQVBIOPRM-UHFFFAOYSA-N 281.783 3.663 30 20 CHED CO[C@@H](CSCCC#N)c1ccc(Cl)cc1 413017521 YVXIXYKZPNNFRZ-LBPRGKRZSA-N 255.770 3.674 30 20 CHED C=CC[C@H](CO)CN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 414097426 IZMSZVSRAUKDGS-QRTARXTBSA-N 293.838 3.750 30 20 CHED CN(C(=O)NCC(C)(C)CC#N)[C@H]1CCC[C@H]1C(C)(C)C 419508165 QMRNAGPQCCMWTD-KGLIPLIRSA-N 293.455 3.782 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425528101 PPUGSYAEBQUWST-XJKSGUPXSA-N 285.391 3.615 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(O)ccc1Br 426551847 HZFFJOUAMUQLMN-LBPRGKRZSA-N 296.208 3.695 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(Oc2cnccn2)cc1 426570385 KOVOVVOXYWJODQ-INIZCTEOSA-N 295.386 3.809 30 20 CHED C=CCN(CCC#N)Cc1ccc(F)cc1C(F)(F)F 430106845 OEGIBSDTYOXJCV-UHFFFAOYSA-N 286.272 3.746 30 20 CHED C=C(C)CN(CC)c1ccc([N+](=O)[O-])c(OC(F)F)c1 432142760 GNFSLOLCBALZNF-UHFFFAOYSA-N 286.278 3.599 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1CC12CCCCC2 432360921 BXTTVYDEVCZOOE-ZDUSSCGKSA-N 264.413 3.611 30 20 CHED N#Cc1cc(NCc2ccc(F)c3cccnc23)ccc1F 432412226 FPRMWAMXTPZGME-UHFFFAOYSA-N 295.292 3.997 30 20 CHED N#CCCN(CCC#N)Cc1csc(Cl)c1Cl 432929192 WKGKDTZEXPMIRM-UHFFFAOYSA-N 288.203 3.684 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@H]2c2cccc(F)c2)c1 432945171 QESNLTKPQNWLCJ-FUHWJXTLSA-N 294.329 3.868 30 20 CHED CCOc1ccccc1NCC#Cc1ccc(F)cc1 433434053 BGQITJMABSTLLF-UHFFFAOYSA-N 269.319 3.688 30 20 CHED CC(C)CCN(CCC#N)c1ccc(F)cc1[N+](=O)[O-] 434941564 DAMUXDNBAAZRPY-UHFFFAOYSA-N 279.315 3.500 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1C[C@H](c2ccccc2F)C1 435594516 WUXBGSGXUWNOEG-SHTZXODSSA-N 291.329 3.927 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1c(O)cccc1F 436957945 YLSVRLZIDNCXFB-UHFFFAOYSA-N 291.366 3.740 30 20 CHED C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 437986634 NDPNLHMKWFSTOC-NSHDSACASA-N 289.354 3.788 30 20 CHED C=C[C@@H](C)NC(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 442038932 AQQHWRHZQHKQHT-RHYQMDGZSA-N 291.420 3.743 30 20 CHED CC[C@@H](NCCCCC(C)(C)C#N)C1CCOCC1 444671171 JMRYKXFMCIXQKU-OAHLLOKOSA-N 266.429 3.501 30 20 CHED C=CC(C)(C)C(=O)N(CCC)Cc1ccc(F)cc1 448666307 OSUAQZJKXUJMHP-UHFFFAOYSA-N 263.356 3.777 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc(C#N)[nH]c1C 448819875 CXFSCARHFLFJOX-KRWDZBQOSA-N 295.386 3.808 30 20 CHED CC[C@H](NC1CCC(C)(C#N)CC1)c1c(C)noc1C 449216336 RMBWCVQHLRTZBS-BBBYJDLNSA-N 275.396 3.805 30 20 CHED C=CCCC[C@H](C)NCc1ccnn1C1CCCC1 449249666 JUFJIBOPUCGTLE-AWEZNQCLSA-N 261.413 3.833 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)NCC(C)(C)CCCc1ccccc1 449862548 ACUJDUAEWKTJNN-KXBFYZLASA-N 298.430 3.701 30 20 CHED N#CC1(CN[C@@H]2CCC[C@H]2c2ccccc2)CCC1 450820393 NRPGESPVPSVBQA-JKSUJKDBSA-N 254.377 3.606 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2ccc(Cl)cc21 453339570 HBLKCKGXQSFARK-OAGGEKHMSA-N 277.795 3.651 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CCc2c(Cl)cccc21 454388642 OQIQWFMVAAJNDH-AWEZNQCLSA-N 278.783 3.593 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](C)c1ccc(F)cc1F 454624585 ULBGVYKNVHHCCF-JTQLQIEISA-N 282.334 3.537 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1OCC1CC1 454854818 WIIFUELSBURWQP-UHFFFAOYSA-N 274.364 3.563 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1cc2cccc(F)c2o1 454857419 PYENJCAQHUPURS-LLVKDONJSA-N 290.338 3.898 30 20 CHED C=C(C)Cn1c(N(C)[C@H](C)CCC)nnc1C(C)(C)C 460554855 SNDRUGHIQXUKOU-CYBMUJFWSA-N 278.444 3.777 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)[C@H]1CCOC(C)(C)C1 460658321 PGZFTPGRMJJFHZ-GJZGRUSLSA-N 296.455 3.720 30 20 CHED CC#CCCCC(=O)N(CCC(C)C)C1CCCC1 464556747 SXYNXAKMCVACPL-UHFFFAOYSA-N 263.425 3.997 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 464759412 YCDJANJJJFQAMN-GOEBONIOSA-N 274.408 3.532 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(C(F)(F)F)c(C)c1 465243075 QJLDUFQLIDANIK-SECBINFHSA-N 272.270 3.710 30 20 CHED C=CCCCCN[C@H](C)c1cnn(C(C)(C)C)c1C 468816881 DLZOPRCDAWNANB-CYBMUJFWSA-N 263.429 3.953 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 470289055 RLKRSUPUCXNQNO-HUUCEWRRSA-N 266.429 3.809 30 20 CHED CCOc1ccc(F)c(NCC#Cc2ccccc2)c1F 479451509 JXYHABAYECIROZ-UHFFFAOYSA-N 287.309 3.827 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@@H](C)CC 479938167 GHFHPBOHLGBIOG-HNNXBMFYSA-N 259.393 3.680 30 20 CHED C=CCCCC(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1 480024232 ZEOBKGVYYJQPIJ-AEFFLSMTSA-N 287.403 3.688 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3ccc(F)cc3)C2)cc1 480780194 MSJHIKWWKCYTOH-OAHLLOKOSA-N 266.319 3.691 30 20 CHED C=CC[C@H](C)NC(=O)CCCOc1ccc(C)cc1Cl 482195187 VXBLFBSRXCMCTE-ZDUSSCGKSA-N 295.810 3.888 30 20 CHED CC#CCCN[C@@H](C)Cc1ccccc1C(F)(F)F 482253999 SJXIEYQQTRKVAU-LBPRGKRZSA-N 269.310 3.639 30 20 CHED CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)c(C)c2)C12CCC2 488211129 FDSBMULVTBJPAR-ZWKOTPCHSA-N 298.430 3.646 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccn(Cc2ccccc2)c1 488877526 KJFCXCKGDAEXFC-SFHVURJKSA-N 294.398 3.717 30 20 CHED CCc1cccc(NC(=O)c2cccc(C#N)c2)c1CC 489550009 JWUGGLVFLOWNGX-UHFFFAOYSA-N 278.355 3.935 30 20 CHED C#CC(C)(C)NC(=O)c1cc(-c2ccccn2)ccc1Cl 490898485 KSHJYOZDBIUGEL-UHFFFAOYSA-N 298.773 3.544 30 20 CHED C#C[C@H](N[C@@H](C)c1ccccn1)c1ccc(Cl)cc1F 491768660 ISVSHQUGBQJFHK-NHYWBVRUSA-N 288.753 3.899 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC[C@H](CC)c1ccccc1 494198296 MFSSZVCESCUGKY-RDJZCZTQSA-N 286.419 3.930 30 20 CHED CC(C)[C@H](C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 497578210 KTAHYRQFSSWGII-HNNXBMFYSA-N 292.382 3.712 30 20 CHED Cc1cc(CN(CC#N)C2CCCC2)ccc1Cl 507815180 VDMSFGLEXDIQIU-UHFFFAOYSA-N 262.784 3.917 30 20 CHED C=C(C)CCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 509358010 NDGPFFOBPUXAGQ-GOSISDBHSA-N 294.398 3.922 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H]2CC[C@@H](F)C2)CCCC1(C)C 512782962 HTKVBORYQQGBRX-MCIONIFRSA-N 282.403 3.653 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@@H]1CCCC[C@@H]1C 512808780 RGPITKDVAQZFFC-GJZGRUSLSA-N 266.429 3.810 30 20 CHED Cc1nsc(SCc2c(F)cccc2F)c1C#N 514979632 HYKYJRQAMHHLMT-UHFFFAOYSA-N 282.340 3.894 30 20 CHED CSc1ccc([C@H](C)NC(=O)C2(C#N)CC(C)C2)cc1 517931483 KQYGSBAQVYIFPM-BGMSHATGSA-N 288.416 3.526 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(CC(F)(F)F)CC1 529314706 RZDJYSSOIDMFTB-UHFFFAOYSA-N 290.329 3.507 30 20 CHED C=C(C)[C@@H](CC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC 535151511 HBBCMVVCAJGSHA-RKVPGOIHSA-N 293.451 3.785 30 20 CHED COc1ccc2c(c1)CCCN(Cc1cc(C#N)cs1)C2 536682668 DLXDYRZYVLOMKS-UHFFFAOYSA-N 298.411 3.577 30 20 CHED CN(C(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 537167440 KWRAWSRUDXFQDO-UHFFFAOYSA-N 276.767 3.616 30 20 CHED CCC(=O)c1cccc(NCc2ccc(CC#N)cc2)c1 541290756 KYFWZVJEJQHQKR-UHFFFAOYSA-N 278.355 3.957 30 20 CHED CC[C@H](C)c1noc(/C=C\c2ccc(C#N)cc2)n1 546996347 IHFQBACBVODRKZ-IQQGHNRFSA-N 253.305 3.625 30 20 CHED COc1ccccc1CCCN[C@@H](C)c1ccc(C#N)cc1 548936861 PILRTLQHWYBFJI-HNNXBMFYSA-N 294.398 3.850 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1nc(C)c(C(F)(F)F)s1 554584549 XZPNDQNJVFPLIZ-ZCFIWIBFSA-N 293.314 3.556 30 20 CHED Cc1c(C(=O)N2CCC(C)(C)C2)sc2ccc(C#N)cc12 556391952 FHEBATJIEXBKRZ-UHFFFAOYSA-N 298.411 3.954 30 20 CHED C=CCCCCNc1ccc(NC(=O)C2CC2)cc1 562772201 FJXAURJBWQZOER-UHFFFAOYSA-N 258.365 3.803 30 20 CHED CC[C@H](NCCSCC(C)C)c1ccc(C#N)cc1 565487853 ATWYCQFISLLQFK-INIZCTEOSA-N 276.449 3.988 30 20 CHED C=C(C)CCNc1cc(Cl)c(F)c(C(=O)OC)c1 565857464 CBGXCXCADKDOSG-UHFFFAOYSA-N 271.719 3.644 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1ccc(C#N)c([N+](=O)[O-])c1 566887892 OGJQBVXTOBCQLJ-VIFPVBQESA-N 287.241 3.609 30 20 CHED CC[C@H](CC#N)NCc1coc(-c2ccc(Cl)cc2)n1 569118283 VGRKFDZVAFGMSY-CYBMUJFWSA-N 289.766 3.777 30 20 CHED C=CCCCCSCC(=O)N(C(C)C)C(C)C 572858333 FICJZGMZPFFIMZ-UHFFFAOYSA-N 257.443 3.721 30 20 CHED CC1(C)CN(c2ccc(Cl)c(C#N)n2)[C@@H]2CCC[C@H]21 572978520 LWSPJLAMDKQJLD-ZWNOBZJWSA-N 275.783 3.622 30 20 CHED CCN(CCc1cccc(C)n1)[C@H](C)c1ccc(C#N)cc1 574154071 ONTGSCQQVQSQLF-MRXNPFEDSA-N 293.414 3.887 30 20 CHED COc1cc(C#N)ccc1NCC1CCC(F)(F)CC1 576491957 GITLGTAJTMBEOE-UHFFFAOYSA-N 280.318 3.804 30 20 CHED C[C@](C#N)(NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 577292652 KABFUSWCTCRXLV-OIPACUDHSA-N 288.435 3.791 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(C)cc2F)no1 580977874 UAPUVAJTRDYIQZ-UHFFFAOYSA-N 283.306 3.839 30 20 CHED Cc1cc(C)c(C[S@@](=O)CCC(C)(C)C#N)c(C)c1 581582860 DMBDSSKFQLCSNW-IBGZPJMESA-N 277.433 3.800 30 20 CHED C=CCOCCCc1nc(C2CCCCCC2)no1 581607951 DKSVCJNTFBFODM-UHFFFAOYSA-N 264.369 3.643 30 20 CHED N#Cc1c(F)cccc1SCc1cnoc1C1CC1 583641845 FWDIDLSTJGWAPC-UHFFFAOYSA-N 274.320 3.855 30 20 CHED C[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccsc1 586824205 NNUBRZXIKGKFNA-VIFPVBQESA-N 290.775 3.764 30 20 CHED COc1cc(/C=C\C(=O)c2ccncc2)ccc1SC 588386494 ZFQPPFJXMGOTDW-HYXAFXHYSA-N 285.368 3.708 30 20 CHED C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(C#N)c1 589340432 DSPZOLXBAFDMAP-ORAYPTAESA-N 287.366 3.768 30 20 CHED N#Cc1ccc(CN2CCC(C3CC3)CC2)c(Cl)c1 590006734 UITDZUWQTLOLPA-UHFFFAOYSA-N 274.795 3.834 30 20 CHED C[C@@H](NC(=O)C(C)(C)C1CCC1)c1cccc(C#N)c1 590673145 RDTNMEGYCWCGRR-GFCCVEGCSA-N 270.376 3.562 30 20 CHED CC[C@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]1C 591241370 RFRLPLMJRVHCJC-YVLXSGLVSA-N 262.784 3.736 30 20 CHED CC(C)(C)C(=O)Nc1ccc(-c2ccc(CC#N)s2)cn1 592987092 UYFYBNAENUFZLG-UHFFFAOYSA-N 299.399 3.861 30 20 CHED CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H](C#N)CC)o1 593495001 BYADGGYJUSJDLY-YDHLFZDLSA-N 288.391 3.691 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccccc1F)C1CCCC1 593518349 XPBJXMHRNACMDD-LRDDRELGSA-N 288.366 3.723 30 20 CHED CCCc1c(NCC2(CC#N)CC2)cnn1-c1ccccc1 594707465 ODDYLGXCFOKWAH-UHFFFAOYSA-N 294.402 3.931 30 20 CHED CCN(Cc1ccc2c(c1)OCO2)[C@@H](C#N)c1ccccc1 595299676 YHBGWXQLLVQQOT-INIZCTEOSA-N 294.354 3.502 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCC[C@@H](CC#N)C1 595504423 IXZWNAAKJXHWSE-OWCLPIDISA-N 291.439 3.538 30 20 CHED N#Cc1ccc(CCSCCc2cscn2)cc1 596383371 DMGMPEZXRDQZGI-UHFFFAOYSA-N 274.414 3.533 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@H]2C[C@H]2C1 596511049 OJWTZXLNKCABRB-QWRGUYRKSA-N 283.762 3.606 30 20 CHED CC(C)[C@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@@H]1C(C)C 597726158 CFJIWZSYVKBPFM-NVXWUHKLSA-N 290.451 3.990 30 20 CHED N#Cc1ccccc1NC(=O)C1[C@H]2CCCCCC[C@H]12 598797008 GEYXLFHCRUAYNA-KBPBESRZSA-N 268.360 3.713 30 20 CHED Cc1cc(C)c(NC(=O)CC2(C#N)CCCCC2)c(C)n1 598804757 JYSIIQJOZXUPSR-UHFFFAOYSA-N 285.391 3.810 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1oc(SC)cc1C 598824763 YUIIFUGHOCHCNH-UHFFFAOYSA-N 294.420 3.902 30 20 CHED C=CC1CCN(C(=O)COc2cccc(C(C)C)c2)CC1 599680875 UUEGTCXFOFYEGZ-UHFFFAOYSA-N 287.403 3.613 30 20 CHED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)CCC#N 602440696 RURZYSRWOMJFRK-CQSZACIVSA-N 289.379 3.745 30 20 CHED CO[C@@H](c1ccccc1)[C@H](C)Nc1cccc(CC#N)c1 602683329 XIKFDAUPJUMRDE-KBXCAEBGSA-N 280.371 3.941 30 20 CHED CC(C)CCN(CCC#N)C(=O)CCc1ccccc1F 609143016 XTULFRWBDZMSHU-UHFFFAOYSA-N 290.382 3.547 30 20 CHED CCC[C@H](NCc1ccc(C#N)cc1)c1ccccn1 609222958 QSXOGSVJUNOHLG-INIZCTEOSA-N 265.360 3.584 30 20 CHED CCC1(O)CCC(Nc2cc(Cl)ccc2C#N)CC1 611306603 SOPAYLQZIONEBL-UHFFFAOYSA-N 278.783 3.707 30 20 CHED Cc1ccnc(N2CC[C@@H](C)C[C@H]2c2ccco2)c1C#N 612085306 ZGMOFLRJWTXWHB-DOMZBBRYSA-N 281.359 3.832 30 20 CHED Cc1oc2ccccc2c1CN1CCC[C@](C)(C#N)C1 612405628 BMTAGTJSQFOTNJ-QGZVFWFLSA-N 268.360 3.867 30 20 CHED CC(C)=CCCN[C@H]1CCCc2cc(C#N)ccc21 616355494 VHXVZESDBCDINU-KRWDZBQOSA-N 254.377 3.882 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(C)ccn1 616758911 MJIQDIUGPYDRCO-UHFFFAOYSA-N 259.397 3.542 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccoc2C(C)C)C1 617780632 XVHSAAPEEWGSAW-CYBMUJFWSA-N 261.365 3.831 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2coc3ccccc23)C1 617783743 GIIRWRUTJBATMB-CYBMUJFWSA-N 269.344 3.861 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCC(=O)c2cccs2)C1 617789600 NQVKZOSHCRVFTF-CYBMUJFWSA-N 291.416 3.526 30 20 CHED CCC1(CC)[C@H](N[C@@H]2CCc3cc(C#N)ccc32)C[C@H]1OC 618802374 DMRHIBLAEBUIHC-KZNAEPCWSA-N 298.430 3.729 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 631654247 WJSQGNCSMUEIOS-ABFRBSLYSA-N 259.393 3.707 30 20 CHED C=C(C)CCNC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 645527315 HBJYSGYTGJQGHR-CQSZACIVSA-N 298.390 3.580 30 20 CHED C=CCC1(NC/C=C/c2ccc(F)c(F)c2)CCOCC1 657634276 FZWPBGDGBXWYRI-ONEGZZNKSA-N 293.357 3.693 30 20 CHED C=CCCNC(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 661571425 VFUZHPQKHAEJIG-INIZCTEOSA-N 274.408 3.534 30 20 CHED C=CCC1(NCC(=O)Nc2cccc(C)c2C)CCCC1 661849392 UFJPCUXCNLFROX-UHFFFAOYSA-N 286.419 3.720 30 20 CHED C=CCc1ccc(OCc2cc(C3CC3)no2)c(OC)c1 663935924 OTLRTPORFDWGNX-UHFFFAOYSA-N 285.343 3.868 30 20 CHED C=CCC1(NC(=O)Nc2ccc3c(c2)CCO3)CCCC1 665523608 YCWGISVVYGCYAG-UHFFFAOYSA-N 286.375 3.632 30 20 CHED C=CCN(Cc1cccc(OC2CC2)c1F)C1CC1 667981794 YQCODSHRARCEEN-UHFFFAOYSA-N 261.340 3.517 30 20 CHED C=CCC[C@@H](CCC)N[C@H](CO)c1ccc(F)cc1F 668746583 QVFYBHFFTQKBRW-CZUORRHYSA-N 283.362 3.723 30 20 CHED C=C(C)CN(C)C(=O)NCc1ccc(OC(C)(C)C)cc1 679374278 ZXQRFLHGCHGBMS-UHFFFAOYSA-N 290.407 3.581 30 20 CHED C=CC[C@@H]1CCCC[C@H]1Nc1nc(C)ccc1C(=O)O 692213150 FLLDPRDSPRZLRK-TZMCWYRMSA-N 274.364 3.635 30 20 CHED C#C[C@@H](NC(=O)c1sc2cccc(F)c2c1C)C(C)C 700626655 PLHKIICXAMZBNU-GFCCVEGCSA-N 289.375 3.736 30 20 CHED CC(C)(C#N)CNC(=O)/C=C\c1cc(Cl)cc(Cl)c1 706324581 XHCVLYAFOGLYFZ-ARJAWSKDSA-N 297.185 3.673 30 20 CHED CC(C)(NCCCOc1ccc(C#N)cc1)c1ccccc1 725799181 ILZLITGMQFTCSR-UHFFFAOYSA-N 294.398 3.852 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 726438050 KKWLIUNLIABWDA-WOSRLPQWSA-N 286.444 3.779 30 20 CHED C=CCOc1ccc(/C=C/c2n[nH]cc2C=O)cc1Cl 727267628 YRVISQTVJWOSKG-HWKANZROSA-N 288.734 3.611 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2ccccc2Cl)c1 728481197 OLJUXRPGLVBJIM-UHFFFAOYSA-N 297.785 3.917 30 20 CHED N#CCOc1ccc(COc2ccc(C#N)cc2Cl)cc1 729240825 OTKIAVHTYMFVTB-UHFFFAOYSA-N 298.729 3.693 30 20 CHED C#CCOc1ccccc1OCc1cccc(Cl)c1 730566847 LGMJCLATADYNRR-UHFFFAOYSA-N 272.731 3.931 30 20 CHED Cc1ccc(C=NNc2ncccc2Cl)cc1F 731486802 WFRGUHVYWLDVBE-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC(CCc1ccccc1F)=NNCc1ccccc1 734093277 YKAJWYQYWMHPMG-UHFFFAOYSA-N 270.351 3.924 30 20 CHED CC1CCC(=CC(=O)OCc2cccc(C#N)c2)CC1 734204291 NHUBWXHIPDWTTP-UHFFFAOYSA-N 269.344 3.738 30 20 CHED Fc1ccc(NN=Cc2occc2Br)cc1 735224156 OTZDQSMRLWZYJH-UHFFFAOYSA-N 283.100 3.627 30 20 CHED CCC(=NNCCc1ccc(OC)cc1)c1cccs1 737440582 MIGRTGOJVIJDEH-UHFFFAOYSA-N 288.416 3.703 30 20 CHED Cc1ccc(N2CCC[C@H](/N=C\c3ccccc3O)C2)cc1 741842740 IIBKGICXAUIQQD-IZQLPPHKSA-N 294.398 3.789 30 20 CHED C#CCCCNC(=O)C(CC)(CC)c1ccc(Cl)cc1 742788440 XJBOLPCWEDJNEX-UHFFFAOYSA-N 291.822 3.927 30 20 CHED CC(=O)N(C)c1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1 743474494 UHFUQZJXGYYHMQ-ZDUSSCGKSA-N 293.370 3.714 30 20 CHED C#CCCCNC(=O)N[C@@H](c1ccccc1Cl)C(C)C 743691120 QSUVPNTVYYZXPF-OAHLLOKOSA-N 292.810 3.750 30 20 CHED CCCCCCCCCNC(=O)N[C@@H]1CCSC1 743691742 SRWZLFWDGXQMHB-CYBMUJFWSA-N 272.458 3.542 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCSc2ccccc21 744138589 AAHQMGHHKNJBCF-CYBMUJFWSA-N 275.373 3.503 30 20 CHED C=C(Cl)COC(=O)[C@H](C)c1cccc(Cl)c1 745307655 XBFJQHWJTIMGHV-SECBINFHSA-N 259.132 3.739 30 20 CHED COc1ccc(N(CCCSCC#N)CC(C)C)cc1 745983704 FCXCXYLVVWZLTF-UHFFFAOYSA-N 292.448 3.804 30 20 CHED CC(=NOCC(F)(F)F)c1coc2ccccc12 747764479 WXGAVQBMUNDAGC-UHFFFAOYSA-N 257.211 3.736 30 20 CHED CCCCS[C@H](C)C(=O)OCc1ccc(C#N)cc1C 748935038 CLDKALNBFKGTHT-CYBMUJFWSA-N 291.416 3.832 30 20 CHED C#Cc1cccc(NCCCOc2ccc(OC)cc2)c1 749102924 DFEFGEKUXHOMSX-UHFFFAOYSA-N 281.355 3.558 30 20 CHED C[C@@H](CC#N)NC(=O)c1sccc1-c1ccc(F)cc1 751392403 IPAYBKUBWICLEB-JTQLQIEISA-N 288.347 3.586 30 20 CHED C=CCc1cc(OCC)cc(CN2CCC[C@@H]2C)c1O 751935608 WZBAIIBAGPYROL-ZDUSSCGKSA-N 275.392 3.504 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1cc(C#N)cs1 752183641 HXUZIEKDKHKJCR-SCVCMEIPSA-N 263.362 3.601 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)co1 752890969 SHMYHUYFMXLPIC-ONEGZZNKSA-N 293.269 3.678 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc(F)cc2F)co1 752891355 UAOSODWJGWHDOH-XQRVVYSFSA-N 277.270 3.972 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCc2cc(C)ccc21)OCC 755444279 FHKZQLPEMZDJIL-QGZVFWFLSA-N 287.403 3.646 30 20 CHED CC(C)(C)C=Nn1c(S)nnc1-c1cccc(Cl)c1 755565814 WEQMMEDZVNCXSP-UHFFFAOYSA-N 294.811 3.767 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc2ccccc2n1 755815410 RZUZELUEOFYMOI-MRXNPFEDSA-N 270.332 3.502 30 20 CHED FC(F)(F)c1ccc(NN=CCCc2ccccc2)nn1 755816215 MUJJXFSLASCUKK-UHFFFAOYSA-N 294.280 3.526 30 20 CHED CCN(CC)c1ccc(C=NO[C@@H]2CCCCO2)cc1F 755821255 ZLTJWBHUSSXBKG-MRXNPFEDSA-N 294.370 3.549 30 20 CHED CCCCCCCCCCNC(=O)N(C)C1CCOCC1 756097446 VPGSQCDWHZAZMP-UHFFFAOYSA-N 298.471 3.948 30 20 CHED N#Cc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1F 756265326 GXPGBSLOIHDQMW-KRXBUXKQSA-N 269.250 3.733 30 20 CHED O=C(/C=C\c1ccccc1C1CC1)c1cc(O)ccc1O 757467685 JSGLKGREKBIPOA-CLFYSBASSA-N 280.323 3.871 30 20 CHED CC1(C)CCC/C(=C\c2ccc(-n3cncn3)c(F)c2)C1=O 757533765 JNSYLDKYZJGCDI-MDWZMJQESA-N 299.349 3.569 30 20 CHED Clc1cccc2c1CCCC2=NNc1ccccn1 758080394 DEDOCLRCKAKWCT-UHFFFAOYSA-N 271.751 3.888 30 20 CHED N#CCc1ccc(C(=O)OCc2ccccc2Cl)cc1 758686549 BLOYNDUXWRQRTP-UHFFFAOYSA-N 285.730 3.763 30 20 CHED Cc1ccc(O)c(NC(=O)c2ccccc2SCC#N)c1 759685197 VIHCNLKQSCGENW-UHFFFAOYSA-N 298.367 3.569 30 20 CHED C=C(Cl)CN(C)Cc1cccc(OC(F)(F)F)c1 759812194 YOCUBLRNRXNYOO-UHFFFAOYSA-N 279.689 3.770 30 20 CHED CON=C(Cc1ccc(Br)cc1)C(F)(F)F 764681621 CSMGASMKWDWUBO-UHFFFAOYSA-N 296.086 3.556 30 20 CHED CCCCCCCCNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 765290075 GJSULUIVDRALHD-JKSUJKDBSA-N 296.455 3.604 30 20 CHED CC(C)[C@H]1CC(=NNc2ncc(F)cn2)c2ccccc21 766452242 DKYDMEYSCUMKDA-CQSZACIVSA-N 284.338 3.575 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C#N)cc2)ccc1C#N 766484183 MGRXOAVXNXGDJN-UITAMQMPSA-N 272.307 3.634 30 20 CHED CCCC[C@H](CC)C(=O)Oc1ccc(C#N)c(OC)c1 767158861 XAZSBJGNUYMHFI-LBPRGKRZSA-N 275.348 3.689 30 20 CHED Cc1cc(NN=Cc2ccc(Cl)cc2C)nc(C)n1 767370866 QBPPXOYSVKYTPN-UHFFFAOYSA-N 274.755 3.501 30 20 CHED C=CCN(Cc1ccc(OC(C)C)c(OC)c1)C(C)C 768548153 XCVQXTVMMYTQLN-UHFFFAOYSA-N 277.408 3.879 30 20 CHED Cc1ccoc1C(=O)/C=C\c1cnc2ccc(Cl)cn12 769783914 JOPNCDNQCIQQIC-ARJAWSKDSA-N 286.718 3.785 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1ccc(C)cc1C 769821326 QMEOGBHYMRFNAB-UHFFFAOYSA-N 277.371 3.689 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cccc(O)c2)cs1 771743284 AYFGYWKITPZEQN-SREVYHEPSA-N 273.357 3.868 30 20 CHED C=CCC[C@H](/N=C/c1ccc(O)c(O)c1O)c1ccccc1 771836099 JTFVNMXEDDOJKU-UZUMKDMXSA-N 297.354 3.930 30 20 CHED CCOCCON=C1C[C@H](c2ccccc2)C1(C)C 774419012 YFJPZMDDJLBZNL-CQSZACIVSA-N 261.365 3.609 30 20 CHED O=[N+]([O-])c1ccc(C=NOCCCCc2ccccc2)o1 774722967 CFCJXUYJBXYTIJ-UHFFFAOYSA-N 288.303 3.561 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCC1CCC1 775414938 MAVPYXKIRVFDKB-KRWDZBQOSA-N 254.377 3.715 30 20 CHED CC(C)(C)c1cccc(NC(=O)C#Cc2ccccc2)c1O 775447747 DYDFCUXVWMCBOC-UHFFFAOYSA-N 293.366 3.680 30 20 CHED Cc1cc(COC(=O)Cc2ccccc2CC#N)c(C)s1 777162473 FRAZJFLPJBPGLH-UHFFFAOYSA-N 299.395 3.717 30 20 CHED Cn1c(C/N=C/c2ccccc2O)nc2cc(Cl)ccc21 777402355 XPIISMBOWQGBIH-GIJQJNRQSA-N 299.761 3.551 30 20 CHED N#CCOc1cccc(NCc2cscc2Cl)c1 779588882 RNGJSTZSVNVJNE-UHFFFAOYSA-N 278.764 3.916 30 20 CHED CC/C(C)=C(\C)C(=O)O[C@H](C)c1ccc(C#N)cc1 779971768 YJOSUVZFINTQDP-XZHRJIJLSA-N 257.333 3.909 30 20 CHED C=CCCCOC(=O)[C@H](c1c(F)cccc1Cl)N(C)C 780113636 RYCJXQDLPMFYTM-AWEZNQCLSA-N 299.773 3.591 30 20 CHED O=C1/C(=C\c2ccc(Cl)cc2)Cc2cc(O)ccc21 780187367 DLXUBPLGXHTBQL-GHXNOFRVSA-N 270.715 3.868 30 20 CHED CCC(Cc1ccccc1)=NNc1ccc(OC)cn1 780275426 WONMKNZPMXVKEJ-UHFFFAOYSA-N 269.348 3.511 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1ncncc1Cl 780278441 AOLAAXAQZQYEAZ-UWVGGRQHSA-N 266.776 3.744 30 20 CHED CCSCCC=NNc1ccc(Cl)cc1[N+](=O)[O-] 781122904 PFMNCTXXOAWWPC-UHFFFAOYSA-N 287.772 3.789 30 20 CHED Cc1ccc(F)c(N)c1C(=O)O[C@H](C)c1cccc(C#N)c1 783117303 SBPUHIGSFFFIGP-LLVKDONJSA-N 298.317 3.506 30 20 CHED C=C(C)[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(F)c(F)c1 783295302 SHDXOPVUINEONA-VQISRLSMSA-N 251.320 3.970 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 783511986 YOUCCZREWLBDNV-UHFFFAOYSA-N 287.294 3.960 30 20 CHED FC(F)(F)[C@H]1CCCC(=NOCc2cccnc2)C1 783522501 SJDVLSUOECVCCM-NSHDSACASA-N 272.270 3.707 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C2=CCCCC2)cc1 783585248 RBGVHCCTLIVCON-UHFFFAOYSA-N 268.360 3.742 30 20 CHED CC(C)(C#N)CCCOC(=O)CCCc1ccsc1 784660119 TZHKYNFQPBGTQW-UHFFFAOYSA-N 279.405 3.944 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(C3CCC3)cc2)cn1 785937169 UYWHXNYYQLYMBT-UHFFFAOYSA-N 276.339 3.583 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1csc(Cl)c1 786348071 AXMRXAWEVOSJSU-UHFFFAOYSA-N 294.734 3.749 30 20 CHED Cc1cccnc1NN=C[C@H]1C[C@@H]1c1ccccc1 790185145 HPSXWSUWVFKGMG-HUUCEWRRSA-N 251.333 3.591 30 20 CHED Cc1cccnc1NN=Cc1csc(C(C)(C)C)n1 790192897 JJNRZORTLDGKEV-UHFFFAOYSA-N 274.393 3.590 30 20 CHED CCc1cccc(F)c1C=NNc1cccc(C(=O)O)c1 794452489 XYGSAEBTAMDWKQ-UHFFFAOYSA-N 286.306 3.532 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNCCC(F)(F)F 794553333 QOZOGSUPYQDDOF-SNVBAGLBSA-N 270.298 3.748 30 20 CHED COC(=O)c1csc(C(=O)/C=C/c2ccc(F)cc2)c1 794725239 WVJPAGYFXASDML-QPJJXVBHSA-N 290.315 3.570 30 20 CHED CCCCO[C@H]1CC(=NNc2cccc(F)n2)C1(C)C 795006677 JOQLMWUNLRGZJG-LBPRGKRZSA-N 279.359 3.604 30 20 CHED Cc1cncc(COC(=O)C[C@@H](CC#N)c2ccccc2)c1 795986758 RJCBOVGEYSYLPT-QGZVFWFLSA-N 294.354 3.521 30 20 CHED C[C@H](COC(=O)c1ccc(C#N)o1)c1cccc(Cl)c1 796149129 ZAEWAUBFPDMBQI-SNVBAGLBSA-N 289.718 3.765 30 20 CHED C=CCC(C)(C)C(=O)OCCOc1cccc(C)c1 796461523 KLSAHPKJBLAREU-UHFFFAOYSA-N 262.349 3.519 30 20 CHED N#Cc1ccc(OCCCN(CC2CC2)C2CCC2)cc1 796576446 HJHDYPGTTGLYOU-UHFFFAOYSA-N 284.403 3.592 30 20 CHED C=C(CNCc1cc(C)nc(Cl)c1)c1ccccc1 797598555 SGHNKOSHEMYHKI-UHFFFAOYSA-N 272.779 3.846 30 20 CHED COCC[C@H]1CCCC1=NN[C@H](C)c1ccccc1 799877332 WDPNXUJSIHLDNV-UKRRQHHQSA-N 260.381 3.530 30 20 CHED C[C@@H](Cc1ccccc1Cl)NC(=O)CCCCCC#N 805164550 PTGFEZCQKGDZRN-ZDUSSCGKSA-N 292.810 3.861 30 20 CHED Cc1ccc(C)c(COC(=O)CCCCCC#N)c1 805697042 OVIKHJPUEFFKEF-UHFFFAOYSA-N 259.349 3.821 30 20 CHED C=CCCCCCCNC(=O)N1CCS[C@H](C)[C@@H]1C 806005263 GFLOEIPZSYSEGC-UONOGXRCSA-N 284.469 3.658 30 20 CHED C#CCCCCNC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 806958539 GPRCCIXVOKZVHP-GJZGRUSLSA-N 278.440 3.646 30 20 CHED C[C@@H]1/C(=C\c2cccc3c2OCO3)C(=O)c2ccccc21 809159393 OQHARSXHAMFSBM-ZRRZQRFHSA-N 278.307 3.799 30 20 CHED CC(C)(C)c1ccc(CCC(=O)OCCCC#N)cc1 809461805 NYMBXMVNFSNOIR-UHFFFAOYSA-N 273.376 3.764 30 20 CHED O=[N+]([O-])c1cc(C=NNc2ccccc2F)ccc1Cl 812458485 DBMHFKKJVOMONL-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CCC(=NNC(=S)Nc1ccc(C)cc1)c1ccco1 814712916 RWSCKAYWSSHYHU-UHFFFAOYSA-N 287.388 3.689 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=C1CC2(CC2)C1 814809411 AWCNZQCKZSSVDK-UHFFFAOYSA-N 265.700 3.590 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=Cc1nccs1 814885952 NTMQDMWNUVFJPH-UHFFFAOYSA-N 289.257 3.747 30 20 CHED c1ccc([C@@H]2CCC(=NNC[C@@H]3CCSC3)C2)cc1 814935341 KUDMIBJHKINQAR-DZGCQCFKSA-N 274.433 3.653 30 20 CHED CC(C)(CC(=O)OCc1cc(C#N)ccc1F)C1CC1 815468167 QPUALXUUPUWQRX-UHFFFAOYSA-N 275.323 3.567 30 20 CHED Cc1c(F)cccc1C(=O)OCC(C)(C)CCC#N 817735382 YPYAVKJMQUUHTJ-UHFFFAOYSA-N 263.312 3.621 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 820854130 ZUJUOYXVKXAQEW-RDBSUJKOSA-N 293.370 3.632 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc2ccc(Cl)nc2s1 823714958 NYCASXDCYALUDI-UHFFFAOYSA-N 295.795 3.886 30 20 CHED C#CCCN(Cc1cc2c(C)cccc2[nH]1)CC(F)(F)F 825530167 KFUCNSIJXZZVMQ-UHFFFAOYSA-N 294.320 3.864 30 20 CHED CCCCCOc1ccc(C(=O)/C=C\c2cnn(C)c2)cc1 834761331 NJBSTWQTKJYDGW-WDZFZDKYSA-N 298.386 3.885 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@H](OC)C(C)(C)C1 836456110 GBCVGHHAMUQVAD-HNNXBMFYSA-N 296.455 3.579 30 20 CHED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C#CC1CC1 837333468 UEQCPWZOBRHQRH-JTQLQIEISA-N 296.197 3.926 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc2c(c1)CCC2 837721888 KSIGDOYYIUKUDU-SJCJKPOMSA-N 271.360 3.719 30 20 CHED C[C@@H](C(=O)OCc1ccccc1C(C)(C)C#N)C1CCC1 838387876 GBTZKEFDUSPPSY-CYBMUJFWSA-N 285.387 3.967 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2cc(C)ccc21 838613138 NWZWAXBSALJLKW-UHFFFAOYSA-N 272.392 3.669 30 20 CHED C[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1c(F)cccc1F 839059278 ZRWZDMLUJLBJFX-SDDRHHMPSA-N 293.313 3.694 30 20 CHED CSc1ccc2c(c1)CC/C(=C\c1cc(C)nn1C)C2=O 841486031 SAGZWYIQBCYZJK-UKTHLTGXSA-N 298.411 3.663 30 20 CHED C[C@](O)(c1ccc(OCC2(C#N)CCC2)cc1)C(F)(F)F 842034793 XFOIEFJUNJYIPZ-ZDUSSCGKSA-N 299.292 3.529 30 20 CHED C=C(C)CONC(=O)N(CCC)[C@@H]1CCc2ccccc21 845596152 ZMOYVKNQXJOLPQ-MRXNPFEDSA-N 288.391 3.603 30 20 CHED CC(CCCC(C)C)=NNc1ncc(Br)cn1 848421338 UAKOZMGCGKZFPW-UHFFFAOYSA-N 299.216 3.853 30 20 CHED Cc1ccc(OCC(=O)O[C@@H](C)CC(C)(C)C#N)c(C)c1 851213268 FBJXIEUOIWAPCR-AWEZNQCLSA-N 289.375 3.554 30 20 CHED C#C[C@@](C)(CC)NC[C@H](OC(C)C)c1ccccc1 852103465 IPMFMXIVUGQABH-IRXDYDNUSA-N 259.393 3.544 30 20 CHED C=C(Cl)CN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 852127879 XMIFRMXZTCMZHX-SECBINFHSA-N 284.190 3.962 30 20 CHED C=CCOCCSCc1cnc(-c2ccccc2)nc1 853773886 FHIRYJWMLPSEJX-UHFFFAOYSA-N 286.400 3.579 30 20 CHED C=C(Cl)CSCC(=O)Nc1ccccc1OCC 853783208 RDKMWVIECUDEMK-UHFFFAOYSA-N 285.796 3.510 30 20 CHED CSCC1(CCNc2nc(Cl)c(C#N)s2)CC1 853793288 VYVDLENYWXPLGT-UHFFFAOYSA-N 287.841 3.613 30 20 CHED C=CCCONC(=O)c1cccc(SC(F)(F)F)c1 856028306 QFWSEUMYJGPTET-UHFFFAOYSA-N 291.294 3.536 30 20 CHED C=CCC1(NC[C@H](O)c2ccc(F)cc2)CCCCC1 859747277 QJGPRSSRNAHMRA-INIZCTEOSA-N 277.383 3.728 30 20 CHED CCCCCCCC(=O)Nc1ccccc1NC(C)=O 862644447 MCLQPIXAEPLTLM-UHFFFAOYSA-N 276.380 3.944 30 20 CHED CC(C)CC=NNc1ncnc2sc3c(c12)CCC3 863966132 XIWXLXNSXYEJQI-UHFFFAOYSA-N 274.393 3.624 30 20 CHED CC(C)c1ncc(CNc2cc(F)cc(C#N)c2)s1 865294944 WXQKZQGPFHPNFQ-UHFFFAOYSA-N 275.352 3.889 30 20 CHED C[C@H]1CC/C(=C\C(=O)Nc2cc(C#N)c(F)cc2F)C1 876345303 CXFAYEYVRHUDNB-UMYFRRCYSA-N 276.286 3.521 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2OCC)CC1 887622863 JNYAISAUNVDUIU-UHFFFAOYSA-N 259.349 3.770 30 20 CHED C=C1CCC(C(=O)N(C)Cc2ccc(C)s2)CC1 888782132 SVBHHPONFVOTDC-UHFFFAOYSA-N 263.406 3.761 30 20 CHED C=C1CCC(C(=O)NC[C@@H]2CCCCC2(F)F)CC1 891259037 BVMKQSDLNAZBAX-ZDUSSCGKSA-N 271.351 3.675 30 20 CHED CC(C)(CNc1ccc(C#N)cc1CO)c1cccs1 892534680 SGPPVEBKJXAQHH-UHFFFAOYSA-N 286.400 3.502 30 20 CHED CCCSC[C@H](C)Nc1ccccc1O[C@H](C)C#N 893473991 ZLUJSRKZMKGHRV-QWHCGFSZSA-N 278.421 3.921 30 20 CHED COc1nccc2c(NC[C@@H](C)CCC#N)cccc12 894953752 CXAPQXHFQZOREI-LBPRGKRZSA-N 269.348 3.595 30 20 CHED C=CCC1(O)CCN(C(=O)C[C@H](C)CCCCC)CC1 899590293 VOFWMXHJMXOPGH-OAHLLOKOSA-N 281.440 3.523 30 20 CHED C[C@H](C(=O)N(O)Cc1cccc2ccccc12)C1CCC1 900094174 IHRLQNYNSOTTMK-ZDUSSCGKSA-N 283.371 3.994 30 20 CHED C=CCC[C@@H](NC/C=C/c1cc(C)c(C)cc1C)C(=O)O 901690247 LSTMFCVZUKBYIF-IWAYRVGRSA-N 287.403 3.634 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCC[C@]1(C)C(=O)O 901734268 XZXAHQRVRKUZHZ-DZKIICNBSA-N 267.413 3.744 30 20 CHED N#C[C@@H]1CCCN(Cn2ccc(=S)c3ccccc32)C1 905722967 NSFWVNBTYZMSAK-ZDUSSCGKSA-N 283.400 3.564 30 20 CHED C=CCOc1cccc(C=NNc2nc3ccccc3[nH]2)c1 915915380 DTVLYYIYNRXQGZ-UHFFFAOYSA-N 292.342 3.574 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)Cc1ccccc1C 917557013 UDGLPXAPAKUHFY-BXUJETTOSA-N 283.371 3.759 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1ccc(F)cc1F 918156660 RUWMOOVLVDSKFC-UITAMQMPSA-N 290.240 3.763 30 20 CHED CSc1ccc(CCN[C@H](C)CC(C)(C)C#N)cc1 926344354 VTOJNWXXMITFAW-CYBMUJFWSA-N 276.449 3.869 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(CC1CC1)C1CCC1 930016335 BQHGGBWVIRGPAC-UHFFFAOYSA-N 283.375 3.663 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(Cl)ccc1NC(C)=O 931141279 UFEIBYJPQZJFFZ-LLVKDONJSA-N 294.782 3.839 30 20 CHED CCc1ccc2c(c1)CCN2CCCC1(C#N)CCOCC1 934900776 LWZFDPNBYQWQDL-UHFFFAOYSA-N 298.430 3.712 30 20 CHED Cc1nc(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)ccc1C#N 1128211783 UFLVAFOABFRDIV-HOCLYGCPSA-N 299.418 3.596 30 20 CHED N#Cc1ccc(CSc2ncccc2Cl)s1 1165451856 FHMLANPZJDPJPH-UHFFFAOYSA-N 266.778 3.960 30 20 CHED N#Cc1cccc(C#N)c1NCC[C@@H]1C[C@H]2CC[C@H]1C2 1185148556 CZCZIBYAXANMQC-MELADBBJSA-N 265.360 3.668 30 20 CHED Cc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)cc1 1252607707 AHIADXOCXRWJBT-UHFFFAOYSA-N 261.284 3.584 30 20 CHED N#C[C@@H](C(=O)/C=C\Sc1ccccc1)c1cccc(F)n1 1263378327 BZLBJOUZBSIORK-ASCRHOAZSA-N 298.342 3.703 30 20 CHED CCN(CCc1ccccc1)[C@@H](C#N)c1ccccc1 1307416746 PFDVWKVJRXPZLX-SFHVURJKSA-N 264.372 3.816 30 20 CHED CCN(C(=O)CC#Cc1ccccc1)c1ccccc1C 1319312576 SVIKGOKHAOMRPY-UHFFFAOYSA-N 277.367 3.790 30 20 CHED Cc1ccc(N(CCO[C@H](C)C#N)Cc2ccccc2)cc1 1321257565 JGLSATPNDXRZOF-QGZVFWFLSA-N 294.398 3.930 30 20 CHED Cc1oc(C)c(-c2nnc(-c3ccc(C#N)cc3)o2)c1C 1322510508 SLLLPJAFRFSEIS-UHFFFAOYSA-N 279.299 3.794 30 20 CHED C=C(CC)COC(=O)[C@@H]1Cc2ccc(C)cc2S1 1323408460 KJZQCHDVPRSQGY-AWEZNQCLSA-N 262.374 3.521 30 20 CHED C=CCCCCNC(=O)N(C)Cc1cc2ccccc2[nH]1 1324063928 GQMJTKYGVIZBMU-UHFFFAOYSA-N 285.391 3.666 30 20 CHED CCCCCCCc1nnc([C@H]2CCCCO2)o1 1326122470 CGHOGDJIYRSTAC-GFCCVEGCSA-N 252.358 3.824 30 20 CHED C=CC[C@@H](NC1CCC(C)(c2ccccc2)CC1)C(=O)O 1331950729 MUDFYEHREZMEPE-UPTPFMHGSA-N 287.403 3.506 30 20 CHED N#Cc1cccc(N(C(=O)CCC(F)(F)F)C2CCC2)c1 1333647872 MHBOHSUJVCENAF-UHFFFAOYSA-N 296.292 3.786 30 20 CHED C[C@H](NCCCSCC#N)c1ccc(Cl)c(F)c1 1341745559 ILUHHYYMGAXDLB-JTQLQIEISA-N 286.803 3.777 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](CC)c1ccc(F)cc1 1344520688 XQJFAUFCZIHDOB-GJZGRUSLSA-N 278.371 3.931 30 20 CHED Cc1cc(-c2nnc(-c3ccc(C#N)cc3)o2)ccc1F 1345866431 GJTJBQVKJIIEBV-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2ccc(Cl)cn2)CC1 1347186351 LXCMQVGAJPZXNT-UHFFFAOYSA-N 292.810 3.653 30 20 CHED Cc1nc(NCCCCOc2ccccc2)ccc1C#N 1347497488 OEVIPISSPIFIRS-UHFFFAOYSA-N 281.359 3.533 30 20 CHED C=C(C)CN(C)C(=O)c1c(-n2cccc2)sc(C)c1C 1348045007 AZVOJXGXFPTLKA-UHFFFAOYSA-N 288.416 3.804 30 20 CHED Cc1ccc(OC[C@@H](C#N)CCC#N)c2c1[C@@H](C)CC2=O 1349499429 WHXFNCRMQWORTP-QWHCGFSZSA-N 282.343 3.507 30 20 CHED CCc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1 1351600756 LQMFNENVTAHNPW-QGZVFWFLSA-N 278.355 3.885 30 20 CHED C=C(C)CCC(=O)N(C)[C@H](CC)c1ccccc1OC 1358239597 HITODJDHCSHUFN-OAHLLOKOSA-N 275.392 3.961 30 20 CHED CCCOc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 1435571450 GEAVGOWBBCSILK-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C=C(Br)CNC(=O)C(CC(C)C)CC(C)C 1442594918 RBMBWEZLSLJOFO-UHFFFAOYSA-N 290.245 3.720 30 20 CHED Cc1nc(Cl)cc(Sc2cccc(F)c2C#N)n1 1472816638 NYYSOWRYRCSKOB-UHFFFAOYSA-N 279.727 3.600 30 20 CHED C=C(Br)CN(CC(C)C)CC(C)(C)C 1473279059 RDNUEHBZLZIPFG-UHFFFAOYSA-N 262.235 3.899 30 20 CHED Cc1ncc(Br)cc1N[C@H](C)CC(C)(C)C#N 1474534939 MLKKBYWDFAOXOD-SECBINFHSA-N 296.212 3.893 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCc3cccc(C)c32)c1 1476740122 DXOCBAWFQIHJTF-UHFFFAOYSA-N 291.354 3.770 30 20 CHED N#Cc1ccc(S[C@H]2CCCOC2)cc1Br 1515626368 YEPZLYFEMIXHDL-NSHDSACASA-N 298.205 3.592 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)O[C@H](C)c1ccoc1 1520469650 WXSARBGJATXYTJ-CHWSQXEVSA-N 283.327 3.634 30 20 CHED C=C(CC)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 1520930275 NPWXHHWETOKQDP-UHFFFAOYSA-N 298.386 3.699 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C(C)(C)C)s2)n1 1523624693 IYEICTDIEWPWEQ-UHFFFAOYSA-N 299.399 3.873 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@H]2CCCc3ccccc32)c1 1525018758 FBJDIBUIVWXLMD-HNNXBMFYSA-N 294.329 3.756 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2cc(C#N)c(F)cc2F)C1 1535867184 CKSCVWSYPFRIIH-VHSXEESVSA-N 278.302 3.601 30 20 CHED CSc1cc(C(=O)Nc2cc(C)cc(C#N)c2)c(C)o1 1535892920 JCOBYQGPOWKDSC-UHFFFAOYSA-N 286.356 3.742 30 20 CHED COc1ccc(C#N)cc1CN1CCCc2c(F)cccc21 1559580464 KIFWERKGCYTRIQ-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C=C(Br)CN(CC)c1ccc(F)c(C)c1 1560125518 CZFJYHRJJULPNT-UHFFFAOYSA-N 272.161 3.869 30 20 CHED COc1ccc(C#N)cc1NC[C@H]1CCCC[C@H]1C 1560497696 BBMZTSADHKEFAU-TZMCWYRMSA-N 258.365 3.805 30 20 CHED C[C@H]1C[C@H](NCc2cccc(F)c2C#N)CC[C@H]1C 1560743030 WPJZISNRDKSRQM-MBNYWOFBSA-N 260.356 3.612 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1cc(C(=O)O)cs1 1588787555 WFKSYDBIVQQJKJ-MNOVXSKESA-N 267.394 3.842 30 20 CHED CC(C)CN(Cc1cc(C(=O)O)co1)c1ccc(C#N)cc1 1591342754 IWHZAGQADHMODC-UHFFFAOYSA-N 298.342 3.512 30 20 CHED CCCC[C@H](CCC)NC(=O)c1cc(F)c(C#N)c(F)c1 1621471842 POVGOTPFVKCCAT-LBPRGKRZSA-N 294.345 3.925 30 20 CHED C=C(Br)CN1CCCCC[C@@H]1C(C)C 1653045651 UNGJJGLNDXVGRG-GFCCVEGCSA-N 260.219 3.796 30 20 CHED Cc1c(NN=CC2[C@H]3CCCC[C@H]23)cccc1C(=O)O 1776089238 ITPFJNWZZBSDCC-STQMWFEESA-N 272.348 3.527 30 20 CHED C=CCc1ccccc1CN1CCC[C@@](CC=C)(C(=O)O)C1 1776188007 VJLCMXXFNCMCDB-LJQANCHMSA-N 299.414 3.658 30 20 CHED N#Cc1ccc(F)c(COC(=O)/C=C/c2ccccc2F)c1 13104023 AEQDLQYDDKPOHF-SOFGYWHQSA-N 299.276 3.593 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(C#N)c2)C1(C)C 16467537 FVJPADMKUHRJGT-LSDHHAIUSA-N 268.360 3.735 30 20 CHED N#Cc1ccc(NC(=O)CCSCc2ccccc2)cc1 19847557 GZJMOFZYGNYIMC-UHFFFAOYSA-N 296.395 3.820 30 20 CHED N#CCSCC(=O)Nc1ccc(Oc2ccccc2)cc1 20530021 ARRHQMZJUMRIFB-UHFFFAOYSA-N 298.367 3.674 30 20 CHED N#Cc1cccnc1N[C@@H]1CCSc2ccccc21 24013434 BCMQKJKJYVKHJZ-CYBMUJFWSA-N 267.357 3.602 30 20 CHED CC(C)c1nc2cc(NC(=O)C3(C#N)CCCC3)ccc2o1 33217090 LYLNVEJSUOYECL-UHFFFAOYSA-N 297.358 3.974 30 20 CHED CCc1cccc(OCCOc2ccccc2C#N)c1 34651396 QBLRJJAOFXTZGF-UHFFFAOYSA-N 267.328 3.578 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2)cc1 36623104 MDTDNKQTRBBJNU-ZDUSSCGKSA-N 278.355 3.612 30 20 CHED COc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 37215397 LBPPYBGICLRIII-CYBMUJFWSA-N 282.343 3.771 30 20 CHED C=CCOc1ccccc1CNCc1cccc(OC)c1 37486662 LAXJVHXRPOSUOY-UHFFFAOYSA-N 283.371 3.550 30 20 CHED C[C@H]1CCCC[C@H]1CNCc1ccc(OCC#N)cc1 42858741 HPKWCXIJMFQXNT-HOCLYGCPSA-N 272.392 3.505 30 20 CHED C=CCNC(=O)Nc1ccc(OCCC)c(OCCC)c1 43415951 SDXHYTMCPGXXMS-UHFFFAOYSA-N 292.379 3.572 30 20 CHED N#Cc1cccnc1N[C@H](c1ccccc1)c1ccccn1 45396404 LNDABHGINGXZDA-QGZVFWFLSA-N 286.338 3.550 30 20 CHED N#Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)nc1 51953038 GCVRBEPPUSDDBH-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(C)(C)C#N 54944244 JSMRBDLPFXRDGS-UHFFFAOYSA-N 285.174 3.502 30 20 CHED C=CCOc1ccc(/C=C/C(=O)c2cccnc2)cc1OC 57825019 ZIJYBGKDUYRBHR-SOFGYWHQSA-N 295.338 3.551 30 20 CHED N#Cc1cc(NCc2cccc3ccccc23)ccn1 61812236 RLXPVGPORRUIHK-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H](C)CC2)cc1 62928167 UMGPBGYUGQEIIP-AWEZNQCLSA-N 273.376 3.514 30 20 CHED COc1ccc(/C=C2/COc3c(C)cccc3C2=O)cc1 63279325 KLTXEZUAZJOPBE-UVTDQMKNSA-N 280.323 3.662 30 20 CHED N#CCC[C@H](C#N)CSc1nc2ccccc2s1 66237215 FPDFLZMCQQKMQZ-SNVBAGLBSA-N 273.386 3.832 30 20 CHED CC(C)c1cccc(N(C)C(=O)c2cccc(C#N)c2)c1 67763424 CEAKAPFOZYOKMF-UHFFFAOYSA-N 278.355 3.958 30 20 CHED CN(C)[C@H](CNc1ccc(Cl)cc1C#N)c1ccco1 68658548 AHQODKOUJDPJRA-CQSZACIVSA-N 289.766 3.519 30 20 CHED CC[C@@H]1CCCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 74917154 PPPDYNMOWVELFZ-CZUORRHYSA-N 285.391 3.593 30 20 CHED C[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1cccs1 78058537 KFVBXPUNGOPAIL-VXGBXAGGSA-N 284.384 3.601 30 20 CHED N#Cc1cccnc1Sc1nc2ccc(Cl)cc2[nH]1 78379356 BYHKMLOHNXHMCJ-UHFFFAOYSA-N 286.747 3.634 30 20 CHED C=CCN(CC=C)C(=O)c1cc(SC)ccc1Cl 78595213 BHDDNWXVPXUYDV-UHFFFAOYSA-N 281.808 3.876 30 20 CHED Cc1noc(C)c1[C@@H](C)Nc1ccc(C#N)c(Cl)c1 78678637 BHCUTLCYXJPSSF-MRVPVSSYSA-N 275.739 3.990 30 20 CHED C[C@@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 78832642 XNONRUOUCOACKB-KOLCDFICSA-N 283.297 3.963 30 20 CHED C=CCNC(=O)[C@@H](C)Sc1ccc(Cl)c(Cl)c1 79011894 WAJAZMUMCUMYCO-MRVPVSSYSA-N 290.215 3.776 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCC[C@@H]1SCC 79135908 VMEQMMSGICYKED-KBPBESRZSA-N 284.469 3.658 30 20 CHED C[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CC[C@H]1C 85056023 JLMFNJXNQAOTFT-TYNCELHUSA-N 260.356 3.612 30 20 CHED C[C@H](CN(C)[C@@H](C)CC#N)c1cccc(Br)c1 93091070 XXACBIMKUYBKDB-NEPJUHHUSA-N 295.224 3.787 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccc(C#N)cc1 97473049 VCBDCJHEUNREHP-VXGBXAGGSA-N 271.364 3.504 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 103078720 KVPHVQHIVBKFEK-GXTWGEPZSA-N 298.308 3.531 30 20 CHED Cc1cc(CNc2ccccc2SC[C@@H](C)C#N)no1 108354748 UKVLRSWYOHVLGN-NSHDSACASA-N 287.388 3.847 30 20 CHED C[C@@H](CCc1ccco1)Nc1c(F)cc(C#N)cc1F 109810784 VCDUTFJHKJBNAC-JTQLQIEISA-N 276.286 3.863 30 20 CHED Cc1ccccc1-c1nc(C(=O)O[C@@H](C)CC#N)cs1 113684976 UDZVKNLGKWANRS-NSHDSACASA-N 286.356 3.578 30 20 CHED CCCCCCCCC(=O)NCc1ccc(CN)cc1 115854297 WFSZZCRHGQVUCB-UHFFFAOYSA-N 276.424 3.512 30 20 CHED C=CCCCS[C@H]1CCN(c2ccccc2F)C1=O 117944483 BBVQBBKPYVRFBC-AWEZNQCLSA-N 279.380 3.630 30 20 CHED CC(C)(C#N)CCN1CCC(OCc2ccccc2)CC1 119599639 QPFLXAHLSBRGCH-UHFFFAOYSA-N 286.419 3.607 30 20 CHED C#CCCCCC(=O)N[C@H](c1ccccc1)c1nccs1 120105118 LOZBPWWHCFJDRP-MRXNPFEDSA-N 298.411 3.542 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CCCc1ccc(Cl)cc1 120933627 PNALGSHMJCCHQR-MRXNPFEDSA-N 292.810 3.717 30 20 CHED C=CCN(C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 121368556 KSLRJCPMYJYLGZ-CQSZACIVSA-N 274.408 3.563 30 20 CHED CCCOc1ccc([C@H](C)NCC(C)(C)C#N)cc1 122317695 SANWMPORKYPIFE-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED CCC(CC)CN(CCC#N)CCc1csc(C)n1 124934384 GGZXRQFWWICLPN-UHFFFAOYSA-N 279.453 3.646 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C 125969032 JKDLDPNYNVLYMD-AWEZNQCLSA-N 297.439 3.680 30 20 CHED Cc1[nH]c2ccc(C(=O)N(CC#N)C3CCCC3)cc2c1C 128329775 HHQNYPNSODCFGB-UHFFFAOYSA-N 295.386 3.693 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)c2ccc(F)cc2F)CC1 130602966 FIPJINQZYNXKEM-GFCCVEGCSA-N 293.357 3.883 30 20 CHED C[C@H](CCc1ccco1)Nc1ccc(F)cc1OCC#N 136891278 NBHXHUOXCNABAN-GFCCVEGCSA-N 288.322 3.754 30 20 CHED C[C@H]1C[C@H](C)CCN1C(=O)N[C@@H](CCC#N)c1ccccc1 151309081 OCWDFCUJKPQZDE-VYDXJSESSA-N 299.418 3.861 30 20 CHED C=C[C@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1 153882500 ODOIDDCPNHAQTJ-ZDUSSCGKSA-N 259.393 3.607 30 20 CHED N#Cc1cc(NCCc2cscn2)ccc1C(F)(F)F 154049654 FNWPCSGEIQXCNP-UHFFFAOYSA-N 297.305 3.688 30 20 CHED COc1cc(C#N)ccc1CSc1nc2ccccc2[nH]1 154597089 ALAFWZWFGYLFKE-UHFFFAOYSA-N 295.367 3.735 30 20 CHED C#CCCCCNC(=O)c1cc(C2CC2)nc2ccccc12 155829973 OHUYVODLYKMGGI-UHFFFAOYSA-N 292.382 3.646 30 20 CHED Cc1ccc(CN[C@H](CCC#N)c2ccccc2)cn1 156424143 KRVFQRWXBBQCQF-QGZVFWFLSA-N 265.360 3.525 30 20 CHED C=CCC(CC=C)C(=O)N1CCO[C@](C)(c2ccccc2)C1 156923696 IONPTDQGNZOPHT-IBGZPJMESA-N 299.414 3.529 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 157761720 XAEFSGPXXJSGDO-UHFFFAOYSA-N 299.374 3.551 30 20 CHED N#Cc1ccc(Cl)cc1N[C@H]1CCO[C@@H](C2CC2)C1 160350183 OGKRTDVPASYXIS-DZGCQCFKSA-N 276.767 3.581 30 20 CHED CCCC(C)(C)NC(=O)N[C@H](CCC#N)c1ccccc1 160631252 GYQMCRPBOVXLIC-OAHLLOKOSA-N 287.407 3.909 30 20 CHED C#CCCCNc1ccc(C)cc1Br 161052169 JBASSBDQSAHLFJ-UHFFFAOYSA-N 252.155 3.583 30 20 CHED N#Cc1cc(N2CCCCCC2)ccc1C(F)(F)F 164376944 JVSXKFFUEIOAAC-UHFFFAOYSA-N 268.282 3.957 30 20 CHED C=CCN(Cc1nc(C)cs1)Cc1ccccc1F 173200152 DEYFXJHUDZZNFV-UHFFFAOYSA-N 276.380 3.779 30 20 CHED CC[C@@](C)(NCc1ccc(C#N)cc1F)c1nccs1 173515674 YCRRROWMSXOWGH-OAHLLOKOSA-N 289.379 3.569 30 20 CHED CN(CCCC(C)(C)C#N)c1c(F)cccc1F 174833158 IHLLUXSAYOESJF-UHFFFAOYSA-N 252.308 3.731 30 20 CHED CCN1CCN(CCCC(C)(C)C#N)c2ccccc21 174857620 ZVNNSZMFORZTRX-UHFFFAOYSA-N 271.408 3.663 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 177022256 VAHMPIJWECZVCC-BLLLJJGKSA-N 288.416 3.873 30 20 CHED CCCOc1ccc(C(=O)/C=C/c2cncs2)cc1 178321315 FHLGTHUNVZQWKL-BQYQJAHWSA-N 273.357 3.828 30 20 CHED CN(C(=O)N[C@H](CCC#N)c1ccccc1)C1CCCC1 178794278 XAJQHWMKINBEQV-MRXNPFEDSA-N 285.391 3.615 30 20 CHED C#CCCCCC(=O)Nc1c(CC)cccc1CC 179801441 LLMWZXHFEVHKKM-UHFFFAOYSA-N 257.377 3.944 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccncc1 181395581 FOBFVFGQEFYJHN-GDBMZVCRSA-N 287.407 3.673 30 20 CHED C[C@@H](NCc1nc(C2CC2)cs1)c1ccc(C#N)cc1 182023621 MXGOZZXHVNIOBL-LLVKDONJSA-N 283.400 3.743 30 20 CHED CCOc1cc(CN[C@H](CC)CC#N)cc(Cl)c1OC 184083934 ZBQGNOXJULKIGM-GFCCVEGCSA-N 296.798 3.529 30 20 CHED N#C[C@@H]1CCC[C@H](NCC2(c3cccc(F)c3)CC2)C1 185837615 HXWKGPMGLHMKKZ-CJNGLKHVSA-N 272.367 3.529 30 20 CHED Cc1cc(C)cc(CCN[C@@H]2CCC[C@@H](C#N)C2)c1 185838718 DQBONRYSOGAXTJ-IAGOWNOFSA-N 256.393 3.518 30 20 CHED C#CCCCCN[C@H](C)c1cc2c(cc1O)CCCC2 186104110 OUEMKDQOWIXUQC-CQSZACIVSA-N 271.404 3.725 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@@H](C)OC)cc1 188129942 MUKXDZRZNVDPSJ-OLZOCXBDSA-N 283.799 3.503 30 20 CHED Cc1csc(COc2ccc(C#N)c(Cl)c2)n1 190264758 GZIASZKFSLCCCJ-UHFFFAOYSA-N 264.737 3.556 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(N(C)C(C)C)nc2)c1 191339500 WMCSQSWAQCXTRS-FNORWQNLSA-N 295.386 3.526 30 20 CHED CC(C)Oc1ccc(N(C)C(=O)c2cccc(C#N)c2)cc1 191606075 DSDZECVXKTVNKM-UHFFFAOYSA-N 294.354 3.622 30 20 CHED C=CCN(Cc1cccs1)C(=O)N1CCc2ccccc21 192498406 GMLNFYGIXXGWDZ-UHFFFAOYSA-N 298.411 3.919 30 20 CHED N#Cc1cccc(CNc2cc(F)cc(F)c2)c1F 223728316 HZXWHTBIEIUOBC-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CC(C)CN1CCC(Nc2cc(Cl)ccc2C#N)CC1 225683435 FUDGFTPTLKVYHU-UHFFFAOYSA-N 291.826 3.744 30 20 CHED C#CCCCNCc1ccc(OCCCCC)cc1 230705645 MMOSETITPLXNSK-UHFFFAOYSA-N 259.393 3.759 30 20 CHED CCOc1cccc(CNc2nc(Cl)c(C#N)s2)c1 233797099 XOAKUJCLEYUQMQ-UHFFFAOYSA-N 293.779 3.679 30 20 CHED N#Cc1ccc(/C=C\c2ccc(OC(F)F)cc2)nc1 255291607 PBWPXMCZXBMROW-KTAJNNJTSA-N 272.254 3.725 30 20 CHED COc1ccc(O)c(/C=N\CCCOC2CCCCC2)c1 255412908 AFPGESDAUPQYJJ-AQTBWJFISA-N 291.391 3.559 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C\c3cncs3)c2c1 255919706 LVCAMCCJEWQGGT-HYXAFXHYSA-N 284.340 3.529 30 20 CHED Cc1ccc(-c2noc([C@@H](C)ON=C3CCC3)n2)cc1F 266648155 XBRFDOYADGCNEB-SNVBAGLBSA-N 289.310 3.802 30 20 CHED COCCC1(CNc2snc(Cl)c2C#N)CCCC1 268443924 DODKTLPVRSZPKG-UHFFFAOYSA-N 299.827 3.677 30 20 CHED CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(C#N)[nH]1 269737889 IUCQEXHBBICYGO-UHFFFAOYSA-N 295.386 3.575 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N(CCC#N)Cc1ccco1 273212504 BUVPXBWZTXLGQT-AWEZNQCLSA-N 290.407 3.984 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc3cc[nH]c3c2)no1 273862122 DTCSWRDNILTBMH-NSHDSACASA-N 283.331 3.872 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2ccccc2C(F)(F)F)C1 274234519 UDMONOKBSFQKCF-OCCSQVGLSA-N 296.336 3.920 30 20 CHED C=CCC[C@H](C(=O)Nc1nc(C)ns1)c1ccccc1 274994915 BXHXDWSTPZPPOU-ZDUSSCGKSA-N 287.388 3.535 30 20 CHED C=CCCN(C)C(=O)CCc1ncc(-c2ccc(C)cc2)o1 276423657 QRGSLJDWRNNGOU-UHFFFAOYSA-N 298.386 3.617 30 20 CHED COC(=O)c1ccc(CSCCC(C)(C)C#N)cc1F 276561838 CJHWLYISNINEAE-UHFFFAOYSA-N 295.379 3.785 30 20 CHED CCc1noc(C)c1CSCCC(C)(C)C#N 276651129 VAXWOIFLGGSECB-UHFFFAOYSA-N 252.383 3.719 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccc(C2CCC2)cc1 278896661 JJJCFSVNKITNDG-GFCCVEGCSA-N 271.364 3.720 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OCC)c(OC)c1 281454303 TUKHTNWUPIZVRJ-LBPRGKRZSA-N 292.379 3.570 30 20 CHED C=CCC[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccco1 286045971 KUGOCDWFUZIGHB-DZKIICNBSA-N 274.408 3.502 30 20 CHED CCSc1ccc(-c2noc(CC(C)(C)C#N)n2)cc1 288966376 AYXRMQGOKGRJOS-UHFFFAOYSA-N 287.388 3.941 30 20 CHED CC(C)C1(NC(=O)Nc2ccc(C#N)cc2Cl)CC1 297010126 IRFUSOQJFXYDBX-UHFFFAOYSA-N 277.755 3.522 30 20 CHED C=CC(C)(C)C(=O)N1CC=C(c2ccc(OCC)cc2)CC1 297020658 GVOFKEWLGCHAJL-UHFFFAOYSA-N 299.414 3.913 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCCN(c2ccccc2)C1 301389537 FSMFJCXXKRFVOV-INIZCTEOSA-N 295.361 3.778 30 20 CHED C[C@@H]1CN(c2cccc(C#N)n2)CC[C@H]1c1ccccc1 301471965 UELLWOIJCWEOBX-RHSMWYFYSA-N 277.371 3.583 30 20 CHED CC1(C)CCC[C@H]1Nc1snc(Cl)c1C#N 301511670 AVCKUOCEJZBMHP-MRVPVSSYSA-N 255.774 3.659 30 20 CHED COc1ccc([C@@H](C)CCNc2ccc(C#N)nc2)cc1 301573762 SBPWEZSMDMVEIJ-ZDUSSCGKSA-N 281.359 3.568 30 20 CHED N#Cc1ccc(OCc2ccccc2OC(F)F)cc1F 303331162 JSITXPLLSGSYPK-UHFFFAOYSA-N 293.244 3.878 30 20 CHED CCCC[C@@H](CC)CNc1cc(C#N)nc(CC)n1 308386531 UZORBKCUQGQPIW-GFCCVEGCSA-N 260.385 3.539 30 20 CHED C[C@H]1C[C@@H](C)N(c2cc(Br)c(C#N)cc2F)C1 310123675 FFTRXZWOIUSOLX-DTWKUNHWSA-N 297.171 3.695 30 20 CHED Cc1nc(NC[C@H]2CCC[C@@H]2C)c(Cl)cc1C#N 310999993 MYYYDPOMZYAKCP-GXSJLCMTSA-N 263.772 3.763 30 20 CHED C[C@H](NC[C@H]1OCCc2ccccc21)c1ccc(C#N)cc1 315570985 KGRMHORKODSEPS-IFXJQAMLSA-N 292.382 3.523 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 316723538 UKJCGYFVOQJPBV-VXGBXAGGSA-N 299.374 3.606 30 20 CHED C[C@H](/N=C(/O)[C@H]1CCCO1)c1nc(C(C)(C)C)cs1 328793977 SFFXUMRRGYUNPC-VHSXEESVSA-N 282.409 3.637 30 20 CHED CCc1nc(N=C(O)[C@H]2CCC(=O)[C@@H](C)C2)sc1C 328875727 FZQPIPFAHQUBEI-WPRPVWTQSA-N 280.393 3.607 30 20 CHED Cc1ncsc1N=C(O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C 329601929 XTLQIOVQWIZNJS-SCZZXKLOSA-N 280.393 3.681 30 20 CHED N#Cc1ccc(N=C(O)[C@H]2CCCSC2)cc1Cl 329791004 DFNJUTBYJLOUFO-JTQLQIEISA-N 280.780 3.943 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cccc3ccn(C)c23)CCC1=O 329923071 GUDLHJFMEWMNQR-AAEUAGOBSA-N 284.359 3.772 30 20 CHED CC[C@](C)(/N=C(/O)[C@H]1CCCOCC1)c1nccs1 330133537 LZOFPPFVVNCERN-FZMZJTMJSA-N 282.409 3.542 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N[C@H]2CCC[C@H]2C#N)cc1 330536208 PBKSFOKWIYQSNA-WBAXXEDZSA-N 298.430 3.797 30 20 CHED COc1cnc(N=C(O)N(C)[C@H](C)C2CCCCC2)s1 330731461 QMBDNTDISXSIKP-SNVBAGLBSA-N 297.424 3.598 30 20 CHED CC1(C#N)CN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 334285916 GUKSIJRIOQMJAO-UHFFFAOYSA-N 299.708 3.655 30 20 CHED N#Cc1ccc(C[S@@](=O)c2cc(Cl)ccc2F)cc1 334472190 KFAPCLRQMSALNU-LJQANCHMSA-N 293.750 3.659 30 20 CHED CC(F)(F)c1ccc(C(=O)N2CCC(CC#N)CC2)cc1 334944678 CACMLHMBBQCUAX-UHFFFAOYSA-N 292.329 3.564 30 20 CHED Cc1ccc(-c2nnc(S[C@@H]3CC[C@@H](C#N)C3)o2)cc1 336113011 BAKMHOLYIQDZSO-DGCLKSJQSA-N 285.372 3.829 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1F 336404336 ZJGWDSZTDIFLIK-UHFFFAOYSA-N 296.345 3.903 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCCC(F)(F)C1 337488364 KJLJVZIMCWRRMI-GFCCVEGCSA-N 286.366 3.600 30 20 CHED CC[C@H](C)N(C(=O)c1cccc(C#N)c1C)[C@@H](C)CC 337791346 CCCMGQFBVPROON-STQMWFEESA-N 272.392 3.906 30 20 CHED N#Cc1cccc(N[C@H](c2ccccc2)c2cccnc2)n1 339221600 GGFAKDNNMFGQPH-GOSISDBHSA-N 286.338 3.550 30 20 CHED CC1(C)CCC[C@H](c2noc(CSCC#N)n2)C1 339819779 LOAOIEIAECOABI-JTQLQIEISA-N 265.382 3.510 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](c1ncc(C)s1)C1CC1 341600711 WDGDIUIYTGVDGE-QWHCGFSZSA-N 293.436 3.557 30 20 CHED Cc1ccc([C@H]2OCCC[C@@H]2Nc2cc(C#N)ccn2)cc1 342817864 SDONTXHEMVIERB-FUHWJXTLSA-N 293.370 3.594 30 20 CHED C=C1CCN(C(=O)c2c(C)[nH]c3ccc(Cl)cc23)CC1 343671513 PAHJRZMVYCHYOS-UHFFFAOYSA-N 288.778 3.922 30 20 CHED N#Cc1csc(CNCc2c(F)cccc2Cl)c1 343892841 PQKFXQKYNJSCSM-UHFFFAOYSA-N 280.755 3.702 30 20 CHED COc1ccc(CN(CC2(C#N)CC2)C(C)(C)C)cc1 344237312 NTPLSVAUVXHHIA-UHFFFAOYSA-N 272.392 3.599 30 20 CHED N#CC1(CSCCCOc2ccc(F)cc2)CC1 344485122 PJTHPCPJXGZWSI-UHFFFAOYSA-N 265.353 3.632 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(F)c(C(F)(F)F)cc1F 346869846 JOCIYFATZBUALO-MRVPVSSYSA-N 292.251 3.575 30 20 CHED C=CC[C@H]1N(C(=O)CC[C@@H]2CCCO2)CCCC1(C)C 347479486 GUOWQMDVAJGDRJ-LSDHHAIUSA-N 279.424 3.539 30 20 CHED C=CCOCCCC(=O)N1C[C@@H](C(C)C)c2ccccc21 347594237 SBRDOEJBMWWFFS-INIZCTEOSA-N 287.403 3.756 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCOc3c(F)cccc32)CC1 355032975 DGRPECVJRIAHIB-CQSZACIVSA-N 289.350 3.512 30 20 CHED C=CCCc1nc(-c2cccc(NC(=O)C3CCC3)c2)no1 355939464 NCYCIDOYNUZUBW-UHFFFAOYSA-N 297.358 3.594 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)c(C)c1 356579596 UEJNXOUMBSSORY-KRWDZBQOSA-N 296.345 3.887 30 20 CHED Cc1cscc1CNC(=O)c1ccc(C(C)(C)C#N)cc1 357135277 YFFYUPRNWRFXFO-UHFFFAOYSA-N 298.411 3.788 30 20 CHED N#Cc1ncccc1NCc1csc(-c2ccccc2)n1 357185361 HJXBLDWHEAJKNI-UHFFFAOYSA-N 292.367 3.689 30 20 CHED Cc1ccc2c(c1)CN(c1nc(C)c(C#N)cc1Cl)C2 360072140 MIYKTYUKNHBMEG-UHFFFAOYSA-N 283.762 3.744 30 20 CHED CCS[C@@H](C)c1noc([C@@H](C)c2cccc(C#N)c2)n1 361263835 WCUILUCZRDIRJH-QWRGUYRKSA-N 287.388 3.907 30 20 CHED N#CCCCC(=O)Nc1sc2c(c1C#N)CCCCC2 361282102 UKCOVRBBJRNMDE-UHFFFAOYSA-N 287.388 3.521 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(F)c(C#N)c1)C2 361595519 WJOOMNIRTUKZIK-UHFFFAOYSA-N 266.319 3.522 30 20 CHED CCC(CC)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 364746953 VYXMWNBCCDUJGJ-SJORKVTESA-N 284.403 3.721 30 20 CHED COc1ccc2c(c1)OCC[C@H]2Nc1ccc(C#N)cc1 364885475 JTHSGGUVUAOKOL-MRXNPFEDSA-N 280.327 3.503 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](c1ccccc1)c1cnn(C)c1 369911980 YXSZWLZSUJBPSM-MPGHIAIKSA-N 283.419 3.700 30 20 CHED C=CCC[C@H](CC)NC[C@@]1(C)CCO[C@@H]1C1CC1 372095004 MLJHOWHXTAUDRB-ARFHVFGLSA-N 251.414 3.526 30 20 CHED C/C=C(/CC)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 375468511 LEIURFBPYKACQT-CBXBZZDSSA-N 282.387 3.641 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC3(CCCC3)C2)cc1 376503640 COJYEEILLUEIKM-UHFFFAOYSA-N 296.414 3.894 30 20 CHED C#CCCCCC(=O)Nc1ccccc1-c1ncc(C)[nH]1 378397524 PFXULPVTDNTZAK-UHFFFAOYSA-N 281.359 3.517 30 20 CHED C[C@@H]1CN(c2cccc(F)c2C#N)c2ccccc21 398586170 QQIPQKUKGHRIEF-LLVKDONJSA-N 252.292 3.953 30 20 CHED CN(Cc1ccc(CC#N)cc1)CC1CCCCC1 398980170 FOWLIZTYEPSVES-UHFFFAOYSA-N 256.393 3.765 30 20 CHED CCC(CC)(CNCc1ccc(C#N)c(F)c1)SC 404256137 ODPOYBYDIFCONQ-UHFFFAOYSA-N 280.412 3.709 30 20 CHED N#Cc1ccc(CNC(=O)CC2CCCCCC2)cc1F 404577365 RYNMISVLKNURDO-UHFFFAOYSA-N 288.366 3.674 30 20 CHED N#Cc1cc2c(nc1NC[C@@H]1CCCC(F)(F)C1)CCC2 409646584 VPWXOSWHHQEMND-LLVKDONJSA-N 291.345 3.679 30 20 CHED C[C@@H](CCC#N)N1CC[C@](F)(c2cccc(Cl)c2)C1 411693852 MSLGASBAVHYNCD-SWLSCSKDSA-N 280.774 3.903 30 20 CHED CC[C@@H](C(=O)N1CCc2cc(C#N)ccc21)c1ccccc1 416022228 QEKFHLFIWFYHAG-QGZVFWFLSA-N 290.366 3.641 30 20 CHED CCOc1ccc(OCCSCC2(C#N)CCC2)cc1 419396657 SLWNVVMTDHRTIF-UHFFFAOYSA-N 291.416 3.891 30 20 CHED Cc1c(NC(=O)[C@H](C)CC2CCCC2)ccc(C#N)c1C#N 421553820 FIHCIMDYAJXXDH-GFCCVEGCSA-N 295.386 3.893 30 20 CHED C[C@H]1C[C@H](C(=O)NCc2ccc(C#N)s2)CC(C)(C)C1 421605268 UNLZTALORDVLPO-RYUDHWBXSA-N 290.432 3.698 30 20 CHED COC1([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)CCCC1 421860091 SUSFWSLMUIYWOK-RDTXWAMCSA-N 298.430 3.873 30 20 CHED C=CCC[C@H](NC1CCC(N(C)C)CC1)c1ccco1 421892451 ZHGUWQWXECHRED-GPANFISMSA-N 276.424 3.749 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(CC(F)(F)F)CC1 424817478 CXHVGJHULQIVAV-UHFFFAOYSA-N 277.330 3.780 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 424979798 SLGJKGFQPDDSKU-UKPHBRMFSA-N 284.403 3.551 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(C(=O)NCCCCC#N)C1 425444683 MZIRJNVLOUNXMU-INIZCTEOSA-N 299.418 3.863 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNCC1(CC#N)CC1 430038100 UUIJZGPZJUZZTA-UHFFFAOYSA-N 282.309 3.797 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)NCC1(CC#N)CC1 431172539 KLBRJSDNBSKENP-HNNXBMFYSA-N 276.424 3.649 30 20 CHED CCN(Cc1ccccc1C)c1ncc(C#N)cc1Cl 432052589 AHNLEHVHUXKZKJ-UHFFFAOYSA-N 285.778 3.942 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCN(c3ccccc3)C2)cc1 432931636 MFAIRVJTGNKHFF-KRWDZBQOSA-N 291.398 3.887 30 20 CHED CC1CCC(CC(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 434032724 SQETXMZTLSIWSG-NRXISQOPSA-N 276.424 3.744 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1c(C)cc(C)cc1C 435726954 STAGMBFDNYWSGS-SJLPKXTDSA-N 273.420 3.683 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CC(c2ccccc2C)C1 436290463 YXUMXYZAZXIMPF-LOTPSLMQSA-N 285.431 3.812 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccccc1)C1CC1 436312535 KPJSWHNIPYWXNO-KSZLIROESA-N 271.404 3.709 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cc(C)c(O)c(C)c2)no1 436880398 QOSMIFJOONUROD-INIZCTEOSA-N 272.348 3.913 30 20 CHED Cc1ccccc1CCCSc1cc(C#N)ccn1 440208987 BJYQZSOOUQERMA-UHFFFAOYSA-N 268.385 3.987 30 20 CHED N#Cc1c(CN2CCC[C@@H]3CCC[C@@H]32)cn2ccccc12 441432721 FGWCDDHYOIOFND-YOEHRIQHSA-N 279.387 3.575 30 20 CHED N#C[C@H]1CC[C@@H](NCCCSc2ccc(F)cc2)C1 442636548 TXNODDFYZQVEGM-GXTWGEPZSA-N 278.396 3.590 30 20 CHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c2cccnc2c1C 442830534 STOVSLUXAJZCTO-UONOGXRCSA-N 265.360 3.956 30 20 CHED C[C@]1(N[C@H]2CC[C@H](C#N)C2)CCCc2ccccc21 442831049 UXHKOZWLTQPLBQ-QRTARXTBSA-N 254.377 3.520 30 20 CHED C=CC[C@@H]1N(Cc2cc(C(=O)OC)co2)CCCC1(C)C 444773422 DEVSUTJMHWGGQV-HNNXBMFYSA-N 291.391 3.633 30 20 CHED C=CC1CCN(Cc2ccn(C(CC)CC)n2)CC1 447040504 LLITXFWJKDGUMK-UHFFFAOYSA-N 261.413 3.642 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)[C@]1(C#N)C[C@@H]1C 448672109 ZMGYWTYBFFMRKU-LIRRHRJNSA-N 292.382 3.738 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 448924281 XVNSEPVJSMXOPJ-INIZCTEOSA-N 271.404 3.680 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1 449150540 ZUIDFZLFKNBIHM-HUUCEWRRSA-N 274.408 3.738 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)CCc1c(F)cccc1F 449546917 FOQQMOKWMZHJPT-VUCTXSBTSA-N 295.373 3.609 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC)c1ccc(Cl)s1 449863085 CNMNKDWQCQZTDJ-VWYCJHECSA-N 299.823 3.560 30 20 CHED C=CCCc1noc(CCOc2ccc(F)cc2Cl)n1 453228729 BRXSKIIZFOZZCL-UHFFFAOYSA-N 296.729 3.602 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)NCC(C)(C)CCC#N)C1 454957737 KJZZSIMJLKCTAV-CQSZACIVSA-N 293.455 3.784 30 20 CHED C=C(C)CCNC(=O)Nc1cnn(CC(C)C)c1C1CC1 455429660 RRWUXWBTJZMFRC-UHFFFAOYSA-N 290.411 3.504 30 20 CHED CC(C)CCCCC(=O)NCC#Cc1cccc(F)c1 457781248 CMHLCWQTMPUWEM-UHFFFAOYSA-N 275.367 3.510 30 20 CHED CC(C)(CC#N)CNCc1cnc(-c2ccsc2)s1 459728825 IZVVFZDXOFREBJ-UHFFFAOYSA-N 291.445 3.901 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N(C)C1CCCC1 460786333 XYHYIYSZGOOUST-UHFFFAOYSA-N 276.428 3.576 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 462914257 STTARSDSDSASLH-BFHYXJOUSA-N 285.347 3.847 30 20 CHED C=CCN(CC=C)C(=O)C(CC)(CC)c1ccccc1 463262727 QRXFQLWCFQBTIJ-UHFFFAOYSA-N 271.404 3.945 30 20 CHED C=CC[C@@H](CC)NC(=O)NC(C)(C)c1cccs1 466367561 WNCUAZJSHCXTSM-LLVKDONJSA-N 266.410 3.637 30 20 CHED CC1(C)CN(c2c(C#N)nnc3ccccc23)CC(C)(C)C1 466464453 KKASJGXIJASQNK-UHFFFAOYSA-N 294.402 3.764 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](CC)Oc1ccccc1Cl 466533901 KYQPCOHVVQETCE-GXTWGEPZSA-N 295.810 3.968 30 20 CHED CC#CCCCC(=O)Nc1ccc(O)c(C(F)(F)F)c1 467928622 CWYIDVBMYKVOOP-UHFFFAOYSA-N 285.265 3.543 30 20 CHED C=CCCCN1CCc2c(F)cc(F)cc2[C@@H]1C 468124214 MPFAFVPQWGETCX-NSHDSACASA-N 251.320 3.850 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(Cl)cn2)CCCC1(C)C 470310211 VGXWKYGITGPLML-AWEZNQCLSA-N 292.810 3.942 30 20 CHED C=CCCCCNC(=O)CCCOc1cccc(C)c1 471685402 ACOUZXHNUPUMOE-UHFFFAOYSA-N 275.392 3.627 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cc(C#N)ccc1C 473336160 WFXVPXZUTRDCMG-AAEUAGOBSA-N 273.380 3.813 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCCCCC1CCCC1 473894238 DUQTZSFEDUVJAF-QGZVFWFLSA-N 281.440 3.692 30 20 CHED CCC(CC)CNC(=O)c1ccc(C(C)(C)C#N)cc1 475661624 MIOPDQBYOAFYSI-UHFFFAOYSA-N 272.392 3.654 30 20 CHED C[C@H]1[C@H](C)CCCN1Cc1ccc(Cl)cc1C#N 480537269 NQIMKLUXWJOLRP-NEPJUHHUSA-N 262.784 3.832 30 20 CHED C=CCN(CCc1ccco1)CC1(OC)CCCCC1 483323515 NKHUPIIUBWKRCI-UHFFFAOYSA-N 277.408 3.659 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 484217752 FPSAUCOOOLRYEF-UONOGXRCSA-N 264.413 3.585 30 20 CHED C=C[C@H](C)NC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 486483809 DFSXXGOVDMYSCP-BPUTZDHNSA-N 272.392 3.587 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1c1ccc(C#N)c(C)n1 488090338 AELUSUFGBVAKTI-DOMZBBRYSA-N 257.381 3.667 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1oc2ccccc2c1COC 488837269 KNASFVTWXSXCSJ-CYBMUJFWSA-N 299.370 3.760 30 20 CHED C=CCn1cccc1C(=O)N(Cc1ccco1)C1CCCC1 490077069 CUPGZICRBMUFIQ-UHFFFAOYSA-N 298.386 3.852 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](c1cccs1)C1CC1 490106271 SULLRHBIANXXBL-OAHLLOKOSA-N 286.400 3.617 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)C(C)C 490631369 UXBZTGBDKKKLOX-CQSZACIVSA-N 297.320 3.569 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC(C)C)c(OC)c1 505848546 VDYOBVBQNQVOQE-UHFFFAOYSA-N 277.408 3.880 30 20 CHED C=CCSCCNC(=O)N(C)[C@H](C)C1CCCCC1 511851904 ADQHDOJYRKVJQL-CYBMUJFWSA-N 284.469 3.516 30 20 CHED C=C(CNC(=O)N1CCc2ccc(F)cc21)c1ccccc1 512674202 VQQUGEMMGWJHTG-UHFFFAOYSA-N 296.345 3.611 30 20 CHED C=C(CNC(=O)N(CC1CCC1)C(C)C)c1ccccc1 512682454 WNHOQIMJPZMTJB-UHFFFAOYSA-N 286.419 3.920 30 20 CHED CN(Cc1ccc2ccccc2c1)C(=O)NCC(C)(C)C#N 512796294 CJPXCFADNMMODD-UHFFFAOYSA-N 295.386 3.531 30 20 CHED CCCCC/C(=C/c1ccccc1)CN1CCO[C@@H](C#N)C1 513689663 DZCLAPRONOJCEU-LJLZWOEMSA-N 298.430 3.875 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Cc1cccs1 520096743 XMVBOBWXFVOSGK-UHFFFAOYSA-N 285.412 3.548 30 20 CHED Cc1cc(C)c(CNc2nc3c(cc2C#N)CCC3)c(C)c1 520975660 IOYDYCRRKUIIEO-UHFFFAOYSA-N 291.398 3.979 30 20 CHED C=CCN(CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 521220918 WFLILHUWMNPLHZ-GFCCVEGCSA-N 287.325 3.901 30 20 CHED Cc1cc2occ(CC(=O)N(CCC#N)C(C)C)c2cc1C 522236718 MFVNPZLXNRNZEC-UHFFFAOYSA-N 298.386 3.743 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(CCC#N)Cc1cccnc1 523324773 KZYKQHWEFGXTAI-RDJZCZTQSA-N 299.418 3.540 30 20 CHED C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)[C@H]2CCCC[C@H]21 531217081 HMTORLAWOHQSAK-XBFCOCLRSA-N 288.416 3.661 30 20 CHED CC[C@@](C)(NCc1ccc(F)cc1C#N)C(F)(F)F 532720931 ISTWHOZOUMTSHJ-GFCCVEGCSA-N 274.261 3.518 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 535340734 OVIKLWVRNRRGQT-ZDUSSCGKSA-N 291.354 3.861 30 20 CHED C=CCN(C(=O)CCc1ccc2ccccc2c1)C1CC1 540132938 KNGPUTGQSBWZOS-UHFFFAOYSA-N 279.383 3.949 30 20 CHED C=C(CC)CSCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 540193221 GHJXZHKPRVBHCF-MELADBBJSA-N 269.454 3.627 30 20 CHED Cc1ccc(C[C@H]2CCCN2c2nccc(C)c2C#N)cc1 541274558 XCEWGTYHQJZDQT-QGZVFWFLSA-N 291.398 3.782 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)C1 546622906 VZSXBQMELGPXQE-CSLYMUCUSA-N 288.435 3.745 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2cccs2)CCCC1(C)C 549355243 UNKFMIIGGLBYRG-AWEZNQCLSA-N 277.433 3.884 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(C#N)ccc1Cl 552050901 YPVCLMVJXUIEOQ-GHMZBOCLSA-N 278.783 3.766 30 20 CHED C[C@H]1COCC[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 553650175 LGKIWUCYKHYDAK-CMPLNLGQSA-N 298.308 3.662 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)ncn1 556258262 CYGLCESDKDPXQS-GXTWGEPZSA-N 298.777 3.750 30 20 CHED Cc1cc(CNc2ccc3c(c2)nc(C)n3C)ccc1C#N 562467850 LXAJVHYCCHFTIL-UHFFFAOYSA-N 290.370 3.674 30 20 CHED Cc1ccc(C[S@](=O)CCCC(C)(C)C#N)c(C)c1 563148212 NQWUDZJCYGOYTG-LJQANCHMSA-N 277.433 3.882 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](C)CC1 564578479 WTEMJUZMVMDOSC-YEORSEQZSA-N 256.349 3.632 30 20 CHED Cc1ccc(CN(CCC#N)Cc2cccnc2)c(Cl)c1 565402172 LIVCRQKEVRXTOM-UHFFFAOYSA-N 299.805 3.959 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H]1CCC12CCOCC2 569318354 DZOFYVZMNISVPU-ZWKOTPCHSA-N 285.431 3.723 30 20 CHED CC(F)(F)CNc1ccc(C#N)c(C(F)(F)F)c1 570742608 RESHKBZOBFSYJL-UHFFFAOYSA-N 264.197 3.644 30 20 CHED CC1(C)CCCC[C@H]1C(=O)Nc1ccccc1CC#N 575359333 CUIOMKPAVMVZQR-AWEZNQCLSA-N 270.376 3.908 30 20 CHED N#CCCC1CCN(C(=O)CCCC2CCCC2)CC1 577494884 FNTPZOKQDDDZDP-UHFFFAOYSA-N 276.424 3.889 30 20 CHED Cn1ccc2c(NCc3cccc(F)c3C#N)cccc21 580810252 XGDBYGOYNQUDOA-UHFFFAOYSA-N 279.318 3.801 30 20 CHED CC[C@H](C)n1ncc(N[C@@H]2CC[C@H](C#N)C2)c1C1CC1 582339645 SHXNSZHMBXYBQM-SGMGOOAPSA-N 272.396 3.836 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(C(C)(C)C)co1 582733612 JBWYGGILQBEWFT-AWEZNQCLSA-N 250.342 3.513 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(Cl)c1Cl 583061684 CRCMPTKDHOYSRP-UHFFFAOYSA-N 298.173 3.927 30 20 CHED C=CCC[C@H](CCC)N[C@@H](CO)c1ccc(F)cc1 584307957 KICGFZFTTOHNTL-HOTGVXAUSA-N 265.372 3.584 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]2C[C@@H]21 588065922 FOMXBHYOOZXTFU-ZANVPECISA-N 266.266 3.566 30 20 CHED CCOCC(C)(C)CN[C@H]1CCCc2cc(C#N)ccc21 588959939 MMGHPMUULQUHBI-KRWDZBQOSA-N 286.419 3.588 30 20 CHED C=CC1CCN(c2c(C#N)cnc3ccc(OC)cc23)CC1 591910146 DIJJOVFDBLTKBH-UHFFFAOYSA-N 293.370 3.517 30 20 CHED CCN(Cc1nc(C2CCCCC2)cs1)[C@@H](C)C#N 595821681 ZAIUTVIXBRLCCS-LBPRGKRZSA-N 277.437 3.925 30 20 CHED Cc1ccc2ccnc(N3CCC[C@H](CC#N)C3)c2c1 596325420 KSSMHRUXEQCDDH-CQSZACIVSA-N 265.360 3.673 30 20 CHED C=CCCSCCNC(=O)N(CC1CCC1)C(C)C 596716523 WAFRBWNUBXSHFT-UHFFFAOYSA-N 284.469 3.516 30 20 CHED CC(C)c1cccc(C(=O)N2CCc3c(C#N)cccc32)c1 597788738 NSBFHDUBZCCYDY-UHFFFAOYSA-N 290.366 3.885 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)CCCF)c2C#N)[C@H](C)C1 598840756 ZRLJXPBHNJFNRC-VHSXEESVSA-N 294.395 3.994 30 20 CHED N#CCc1ccnc(NC(=O)CC(C2CCC2)C2CCC2)c1 599684447 CAUJHLVHTAIMNT-UHFFFAOYSA-N 297.402 3.693 30 20 CHED N#C[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C1CC1 601076796 JXFISAABFVWSGW-LLVKDONJSA-N 291.763 3.784 30 20 CHED C[C@@H](CCC#N)CNC1(c2cccc(Cl)c2)CC1 602554532 ZNCQUPTXMXEYCQ-LBPRGKRZSA-N 262.784 3.859 30 20 CHED C[C@@H](CCC#N)CN1CCC2(CCSCC2)CC1 602734241 FNUGJBWVSDFARQ-AWEZNQCLSA-N 266.454 3.535 30 20 CHED Cc1ccc(CN(CCOc2ccccc2C#N)C2CC2)o1 604271967 PGPUNBHYLCULJZ-UHFFFAOYSA-N 296.370 3.503 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CCCc1c[nH]c2ccccc12 608823311 NDSUWHCCOGZTBD-OAHLLOKOSA-N 297.402 3.545 30 20 CHED CC(C)(CNc1cccc(C#N)n1)c1ccccc1Cl 609892952 PWPDNXFXONCMAS-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C[C@@H](CN[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 618831423 QDLPCQOJPDKOFW-LIRRHRJNSA-N 276.383 3.939 30 20 CHED N#Cc1ccc(CNC[C@H]2CC=CCC2)cc1Cl 619748515 HCKOWFKATNTBFT-LBPRGKRZSA-N 260.768 3.658 30 20 CHED COC[C@@H](NCc1ccc(C#N)c(Cl)c1)C1CCCC1 619755220 CUZJLVLTNMFWRP-MRXNPFEDSA-N 292.810 3.506 30 20 CHED C=CCCNC(=O)N1CCCCC[C@H]1c1ccccc1 665947461 NGZQLTJNIPBRKP-INIZCTEOSA-N 272.392 3.889 30 20 CHED C=CCC1(NC(=O)Nc2c(C)noc2C2CC2)CCCC1 666700775 TUHIAUVOVWXCFU-UHFFFAOYSA-N 289.379 3.871 30 20 CHED C=CC[C@H]1CCCN(Cc2cnc(C(C)(C)C)nc2)C1 668492788 GFFWEIPCXRESNF-AWEZNQCLSA-N 273.424 3.562 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H]1c1cccc(F)c1 684929113 DWEAFAMLVLMYOT-HUUCEWRRSA-N 276.355 3.637 30 20 CHED CSC1(CN[C@@H](C)CC(C)(C)C#N)CCCCC1 695821097 YHWOJYOXTHWKOV-ZDUSSCGKSA-N 268.470 3.970 30 20 CHED C#C[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(C)C 700580998 VEZNLCVLWQYBKI-GFCCVEGCSA-N 288.149 3.520 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1sc(C)nc1C 727257302 JEOCJCPVPNVNAH-UHFFFAOYSA-N 297.387 3.539 30 20 CHED C=CCCOC(=O)CCOc1ccc(C(C)C)cc1 729072392 KVICYPQGBWAMBF-UHFFFAOYSA-N 262.349 3.698 30 20 CHED Cc1cccc2c1C/C(=C\c1cccc(C#N)c1)C2=O 729150054 IFFMTQQFLDPPDS-OQLLNIDSSA-N 259.308 3.689 30 20 CHED C=CCN(C(=O)Nc1cc(OC)ccc1OCC)C(C)C 729575371 JXYJBEUXCYJUBE-UHFFFAOYSA-N 292.379 3.522 30 20 CHED C=CCOC(=O)Cc1cccc(OCc2cccc(C)c2)c1 730075786 YOHZXOOFHXHLND-UHFFFAOYSA-N 296.366 3.846 30 20 CHED C#CCOc1cccc([C@H](C)OC(=O)/C=C\c2ccco2)c1 730700226 PRLNBSVLBOGHJO-CMUBDUJZSA-N 296.322 3.609 30 20 CHED Cc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1F 731490496 XZHZZPWKFLMCQN-VIZOYTHASA-N 272.250 3.889 30 20 CHED C#CCN(Cn1ccc(-c2cccs2)n1)C1CCCCC1 731661157 DGWVQFDMMNMTBN-UHFFFAOYSA-N 299.443 3.837 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 733618971 FSCSXTYFXJPDLK-XJKCOSOUSA-N 270.376 3.614 30 20 CHED C=CCCCOC(=O)/C=C/c1ccc(Cl)cc1 735527024 CMVJJACGZKBDNW-JXMROGBWSA-N 250.725 3.863 30 20 CHED C=CCN(Cc1ccco1)c1ccc(OC)c(F)c1 739926688 REHJTHDLUFAOEC-UHFFFAOYSA-N 261.296 3.620 30 20 CHED Fc1cccc(F)c1NN=Cc1nccc2ccccc12 740763135 YUDDXOGPCMKFPP-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C#CCOc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)CC)cc1 741570936 UDUVCTVKZUHVNG-YJBOKZPZSA-N 299.414 3.739 30 20 CHED CCC(=NN[C@H](C)c1ccccc1)c1c(C)nn(C)c1C 741839841 UHMPTDWLGSMPNB-GFCCVEGCSA-N 284.407 3.502 30 20 CHED C[C@H](NC(=O)/C=C\c1ccsc1)c1cccc(C#N)c1 743775929 PYCWIRNUDMVRTQ-FJOGCWAESA-N 282.368 3.510 30 20 CHED C#CCCCNC(=O)N[C@@H](c1ccccc1)C(CC)CC 745524795 JPYRIUKCONAZTJ-QGZVFWFLSA-N 286.419 3.877 30 20 CHED c1cncc(CON=C2CC3(CCC3)Oc3ccccc32)c1 746576428 JLDVHLLNTAHGOJ-UHFFFAOYSA-N 294.354 3.708 30 20 CHED Cc1ccc(Cl)cc1NC(=O)C#Cc1ccccc1 747199041 BROUFYQMJLLXDH-UHFFFAOYSA-N 269.731 3.639 30 20 CHED Fc1cc(NN=Cc2cccs2)cc(F)c1F 747642561 QJFQWSUPAUPFIQ-UHFFFAOYSA-N 256.252 3.611 30 20 CHED COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1ccccc1 747705637 PIYZSGFRCOQAEF-DHZHZOJOSA-N 295.338 3.550 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccc(C#N)s1 749006115 RJMKTSPWQCHFMM-FNORWQNLSA-N 271.316 3.963 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H]1CCCC[C@H]1C 751374255 MWMHHBINIAGOFG-CABCVRRESA-N 264.413 3.601 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)o1 752237707 ILJYUMKVQPGBRI-UTCJRWHESA-N 261.708 3.787 30 20 CHED FC(F)C(F)(F)CN(CCC(F)(F)F)CC1CC1 752356180 WTEUISRRLSOXQN-UHFFFAOYSA-N 281.215 3.551 30 20 CHED CCC[C@@H](OC(=O)c1ccc(C#N)[nH]1)c1ccccc1 752491911 XOLJFYIQRDGBQP-OAHLLOKOSA-N 268.316 3.585 30 20 CHED CC1(c2ccccc2)CC(=NN=c2cc[nH]cc2Cl)C1 756849607 SVKDBFFWEQTDTJ-UHFFFAOYSA-N 285.778 3.677 30 20 CHED Cc1cc(C=NNc2ccccc2C(=O)O)c(C)s1 760242955 WKNJQLQMLYPGOJ-UHFFFAOYSA-N 274.345 3.509 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc3c(c1)ncn3C)C2 761198221 GUPUMOMSVSUAHA-OVCLIPMQSA-N 288.350 3.704 30 20 CHED COc1cc(F)ccc1NN=C1CCC(C)(C)C1 761885691 WPQXQCZAQHXITO-UHFFFAOYSA-N 250.317 3.812 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H]2CC23CCCC3)n1 761992440 FYGSMFWNZDJKQJ-AWEZNQCLSA-N 294.354 3.796 30 20 CHED C=CCOc1ccc(COC(=O)c2ccc(C)o2)cc1 763644354 INWITHSSEYNKAO-UHFFFAOYSA-N 272.300 3.510 30 20 CHED COc1cccc(/C=N/Cc2c(C)cccc2C)c1O 764412459 CQDVNXJHFUEBRO-VCHYOVAHSA-N 269.344 3.637 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2cc3c(s2)CCC3)cc1 764431244 CMRPNQSCGLAEJE-TWGQIWQCSA-N 298.363 3.831 30 20 CHED CCCCCCCS(=O)(=O)c1nc(C)c(C)s1 764519187 NLCKFRXGGDDGMK-UHFFFAOYSA-N 275.439 3.504 30 20 CHED Clc1ccc(CNN=C/C=C\c2ccco2)cc1 764716925 BFLFSFCYEBFTSL-OQKRJFEZSA-N 260.724 3.722 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1cccs1 764778840 MVRZXOSWRGOHGA-UHFFFAOYSA-N 281.384 3.810 30 20 CHED Cc1cc(OC(=O)C(F)=C2CCCC2)ccc1C#N 765092669 AVRPJOCWCMMEJR-UHFFFAOYSA-N 259.280 3.570 30 20 CHED CCCCC[C@H](NC1CCN(CC#N)CC1)c1ccccc1 765855928 IAFSCEAKHVVRFC-IBGZPJMESA-N 299.462 3.886 30 20 CHED C#CCCCSc1nnc(-c2ccc(Cl)cc2)o1 766283581 BMZMGUCKHZJINW-UHFFFAOYSA-N 278.764 3.896 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C#N)c(F)c2)ccc1C#N 766492415 XOEQWLSHJZKMHL-XVNBXDOJSA-N 290.297 3.774 30 20 CHED C#CCCCNc1ccccc1NC(=O)c1cccs1 766726240 ROEQZNJMQOFVMC-UHFFFAOYSA-N 284.384 3.826 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(-c2ccc(F)cc2)s1 767232057 KMAOCUNGYJMXIV-NSHDSACASA-N 287.359 3.648 30 20 CHED Cc1nc(Cl)cc(NN=C2CC[C@@H](C)[C@@H](C)C2)n1 767381407 XDTPYGMZNZULHD-BDAKNGLRSA-N 266.776 3.662 30 20 CHED CCOc1cccc(/C=N/CCCc2cccs2)c1O 769548176 HIEHJTODWMSAKL-SFQUDFHCSA-N 289.400 3.904 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc(Oc2ccccc2)cc1 770936660 KEJNPHRZURMCOG-ZDUSSCGKSA-N 281.311 3.795 30 20 CHED CC1(C)CCC/C(=C\c2ccc(C#N)cc2F)C1=O 772804406 WZLIGCQTIMRUCU-UKTHLTGXSA-N 257.308 3.860 30 20 CHED C=C(CC)COC(=O)c1ccc(F)c(C(=O)CC)c1 773540588 MNKPXXQNFCPSNA-UHFFFAOYSA-N 264.296 3.541 30 20 CHED C=C(CC)COC(=O)c1cnc(C)c(Cl)c1Cl 773543020 YCHLYOCGRXEKDH-UHFFFAOYSA-N 274.147 3.820 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1cccc(C(=O)O)c1 774138717 MNOLXVVMNJLLHL-VMPITWQZSA-N 284.286 3.728 30 20 CHED N#Cc1cccc(COC(=O)C(F)=C2CCCC2)c1F 774969060 LUEUSKQNCZIXNP-UHFFFAOYSA-N 277.270 3.538 30 20 CHED N#C[C@@H](OC(=O)c1cnc(C2CC2)s1)C1CCCCC1 776386410 JWRKDZKIHUFZKD-GFCCVEGCSA-N 290.388 3.650 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)Cc1ccccc1CC#N 776733223 UZCOHKNYLMSKMT-OAHLLOKOSA-N 286.419 3.626 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1ccc(C)cc1)C(C)C 778703389 DEDAIJSVWJSVJO-OAHLLOKOSA-N 259.393 3.597 30 20 CHED C=CCN(C)C(=O)Nc1cccc(COc2ccccc2)c1 779407923 AXCXGXZAOZUFGX-UHFFFAOYSA-N 296.370 3.915 30 20 CHED CC(CCc1ccsc1)=NNc1ncncc1Cl 780279322 BIHBODXCFNVMFV-UHFFFAOYSA-N 280.784 3.612 30 20 CHED C[C@@H](C#N)COC(=O)C1c2ccccc2Oc2ccccc21 781832300 ARMHCDOGFGPCIE-LBPRGKRZSA-N 293.322 3.627 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccnc(Cl)c1 782193830 JEIAEDNJMDFOGH-HNQUOIGGSA-N 285.730 3.566 30 20 CHED CC(C)(C)CCNN=C1CCC(C(=O)OC(C)(C)C)CC1 782903191 QXILMNKQVBKZGH-UHFFFAOYSA-N 296.455 3.900 30 20 CHED CCCCCCCCNC(=O)C1(SC)CCC1 784400108 BWEJLMVIJYBSLI-UHFFFAOYSA-N 257.443 3.749 30 20 CHED C=CCC[C@H](CC)NC[C@H](O)c1cc(F)cc(Cl)c1 787024078 FTWYOEQLCYXWOB-GJZGRUSLSA-N 285.790 3.847 30 20 CHED O=C(/C=C/c1cc(Cl)ccc1F)c1cncs1 787171909 QNKMMAJPSZXWFV-DAFODLJHSA-N 267.712 3.832 30 20 CHED C[C@@H]1CC(=NOC[C@H]2CCOC2)C[C@H](c2ccccc2)C1 788029108 CTSFPJIOIMABPA-YQQAZPJKSA-N 287.403 3.999 30 20 CHED C=C(Br)CN(CC)c1ccc2[nH]ccc2c1 788283160 UMTCGROMTZOLFB-UHFFFAOYSA-N 279.181 3.903 30 20 CHED C#CCCCOc1ccc(-c2ncc3n2CCCC3)cc1 789667998 KVXKSGJOLCQRPT-UHFFFAOYSA-N 280.371 3.679 30 20 CHED Cc1nc(C=NN2CCC(C(C)(C)C)CC2)c2ccccn12 790178697 IPIWZNFCBZYVQA-UHFFFAOYSA-N 298.434 3.735 30 20 CHED CCC(C=NNc1cccc(F)c1[N+](=O)[O-])CC 790306418 IJJHGZJJVLLCIG-UHFFFAOYSA-N 253.277 3.568 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](CCC=C)c1ccccc1 791202661 UJYFAJILCYDGPF-SJORKVTESA-N 269.388 3.655 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(O)c2ccsc2c1 791317264 UQHANIWOJNIKHK-UHFFFAOYSA-N 275.373 3.645 30 20 CHED C=CCC1(C(=O)OCc2ccn(C3CCCC3)n2)CCC1 791554435 ARMJPNVQAZAOQU-UHFFFAOYSA-N 288.391 3.788 30 20 CHED CC(CN1Cc2ccccc2C1)=NN[C@H](C)c1ccccc1 792630217 URGGPGHYODXZLL-MRXNPFEDSA-N 293.414 3.729 30 20 CHED CCn1cc(C=NNCCC(F)(F)F)c2ccccc21 794545606 MUFCFUYQGKULCD-UHFFFAOYSA-N 283.297 3.537 30 20 CHED CSCCON=C(C)c1ccc(Cl)c(Cl)c1O 794575064 VWEGXHZVWGHNGL-UHFFFAOYSA-N 294.203 3.803 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1 794720647 HFQYLQVWOTUOLC-YFHOEESVSA-N 298.361 3.963 30 20 CHED C=CCc1cc(CN2CCC(C)=C(C)C2)c(O)c(OC)c1 794882375 RJENNODJZSYTLP-UHFFFAOYSA-N 287.403 3.671 30 20 CHED CC(=NOCCCCF)c1ccc(NC(=O)C2CC2)cc1 795204996 UTNODNSVJPEACV-UHFFFAOYSA-N 292.354 3.525 30 20 CHED N#Cc1ccc(CNC/C=C/c2ccc(F)c(F)c2)cc1 796265307 GTHIPYNFKKDHFN-OWOJBTEDSA-N 284.309 3.639 30 20 CHED N#Cc1ccc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)cc1 796693062 DBMQMHWFVZTETA-QGZVFWFLSA-N 294.402 3.693 30 20 CHED C#C[C@H](NC(=O)c1sc2ccc(F)cc2c1C)C(C)C 799045198 WIYADDNGCSZZMR-ZDUSSCGKSA-N 289.375 3.736 30 20 CHED COc1ccccc1CON=C(C)c1sccc1OC 799118900 ZXNDONUWVTWOLV-UHFFFAOYSA-N 291.372 3.706 30 20 CHED C#C[C@@H](CCC)NC(=O)CC(C)(C)CC(=O)c1ccccc1 799425894 OSYSHNHWKQGBGX-INIZCTEOSA-N 299.414 3.594 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@H](C)c1ccccc1 799440584 KMZSEZPJIWOCPK-ZDUSSCGKSA-N 279.339 3.830 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc(OCC#N)cc1 799494656 KZFHQYSZROWAJU-UHFFFAOYSA-N 293.370 3.906 30 20 CHED CCCCCCCC[S@](=O)Cc1ncnn1C(C)(C)C 800800515 RDBDVHWJVFPUBK-FQEVSTJZSA-N 299.484 3.642 30 20 CHED FCCC[C@@H]1CCCC1=NOCc1cccnc1 800814138 JCWXDBHIXYXGPC-ZDUSSCGKSA-N 250.317 3.504 30 20 CHED CC[C@H](OC(=O)c1cccc(CC#N)c1)c1ccc(F)cn1 803046455 OLYMGUUUYPHLNA-INIZCTEOSA-N 298.317 3.595 30 20 CHED CC(C)CN(CCC#N)C(=O)CCCCC(C)(C)C 804312413 CREUBYMMOXUSGK-UHFFFAOYSA-N 266.429 3.991 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)OCCCSCC#N 805513788 XLZCYXPHQHWFKR-CYBMUJFWSA-N 283.437 3.783 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1ccccc1CC 806136324 APGXYSNUQHNUFL-UHFFFAOYSA-N 292.382 3.916 30 20 CHED C=CCC[C@@H](C)NC[C@H](O)c1ccc(C(F)(F)F)cc1 806173837 DYLDVWZXPNQKSW-RISCZKNCSA-N 287.325 3.683 30 20 CHED N#CC1(CSc2nccn2Cc2ccccn2)CCCC1 806589883 RQIFQAHYHYYLNU-UHFFFAOYSA-N 298.415 3.502 30 20 CHED CCCCCCCC(=O)N[C@@H](C1CC1)C(F)(F)F 807906434 AACLQIHXZIOKNU-LBPRGKRZSA-N 265.319 3.804 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(O)c(C)c1 807991568 OIRHBFOUZFYNGE-UHFFFAOYSA-N 299.330 3.753 30 20 CHED Clc1c(C=NN[C@H]2CCSC2)sc2ccccc12 808001009 DOSIEAGOHDTMQD-VIFPVBQESA-N 296.848 3.984 30 20 CHED C#C[C@@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)C(C)(C)C 808294012 MORJUROCMJARKL-MLGOLLRUSA-N 298.386 3.841 30 20 CHED CCCCCCC[C@H](C)CNCc1n[nH]cc1C 810134973 ZUXOJSCAIBSVPZ-ZDUSSCGKSA-N 251.418 3.804 30 20 CHED N#Cc1c(F)cccc1/C=C1\C(=O)Nc2ccc(Cl)cc21 811685196 LNGAHBAAFYEIPG-SDQBBNPISA-N 298.704 3.843 30 20 CHED C=CCCCCCCCNC(=O)NC[C@H]1CCO[C@H](C)C1 811899695 FOKSJTRQOQYJGZ-CVEARBPZSA-N 296.455 3.627 30 20 CHED CN(Cc1ccccc1)C1CCC(=NOC2CCC2)CC1 812236164 XONGLCVDOSNMRG-UHFFFAOYSA-N 286.419 3.986 30 20 CHED CCOc1c(Cl)cccc1C=NOCCOC(C)C 812239093 MZNPSYQDIAVUSP-UHFFFAOYSA-N 285.771 3.514 30 20 CHED C#CCCCCNC(=O)N[C@@H]1CCCCC12CCCC2 812895410 ZEIAEEVMSPRXKX-OAHLLOKOSA-N 276.424 3.592 30 20 CHED C=C(CNC(=O)C(C)=C1CCCC1)c1ccccc1 813624315 XRCOSHPIDNOJMZ-UHFFFAOYSA-N 255.361 3.707 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1csc(C(=O)O)c1 814813201 KILINBNLXFXEHI-UHFFFAOYSA-N 296.298 3.561 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@H](CC(=O)O)[C@H]1C 814859442 VDYOQWYNNKIYSG-BFHYXJOUSA-N 282.428 3.812 30 20 CHED Cn1ccnc1NN=C1CCCC[C@H]1C1CCCCC1 814918838 HEJDMOJOYPJQPO-AWEZNQCLSA-N 274.412 3.959 30 20 CHED CC[C@H](C)CON=C(C)c1ccc(Cl)c(N)c1 814939160 GTGKDGXOMLZNEA-VIFPVBQESA-N 254.761 3.709 30 20 CHED CC(Cc1ccncc1)=NNc1ccc(F)c(F)c1F 814945303 VEQFRVVMJTVNES-UHFFFAOYSA-N 279.265 3.529 30 20 CHED CCCCN(CCO[C@H](C)C#N)[C@@H]1CCC[C@@H](C)C1 815196605 QNVAQQGLBVOGIF-BZUAXINKSA-N 266.429 3.596 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(CN(CC)CC)cc1 816407092 NJUUHNFLVMMSRB-UHFFFAOYSA-N 296.361 3.678 30 20 CHED C=CC[C@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccncc1 816551593 HPCBCYFAGYBQDB-KSSFIOAISA-N 282.387 3.625 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@@H]2C[C@H]3C=C[C@H]2CC3)cc1 817410111 JYULIGQKPYNNLD-FZCLSBEQSA-N 296.414 3.669 30 20 CHED C[C@H](NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ccncc1 819815096 LXVHYNPNOKOGJZ-HSZNGYFJSA-N 269.392 3.544 30 20 CHED COc1ccc([C@@H](C)C(C)=NN[C@H](C)c2ccncc2)cc1 819815501 ACWRIPSRGUNMIZ-DZGCQCFKSA-N 297.402 3.920 30 20 CHED C[C@@H](NN=Cc1cccc(C2CC2)c1)c1ccncc1 819818793 PWDNEUVUFLSSIJ-CYBMUJFWSA-N 265.360 3.644 30 20 CHED C#CCCCOc1cccnc1NCCc1cccs1 820605340 QAAQWRJIQJZNQB-UHFFFAOYSA-N 286.400 3.590 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(O)c1Br 821375754 YTXKLCGPEQPSOI-VIFPVBQESA-N 298.180 3.696 30 20 CHED COc1cccc(C)c1/C=C\C(=O)c1cnn(C(C)C)c1C 834434157 BMWNXAZPALELPC-KTKRTIGZSA-N 298.386 3.986 30 20 CHED C#CCCc1noc([C@@H]2CCC[C@H]2c2ccccc2)n1 834585237 KJNYNBVVOXTVOC-LSDHHAIUSA-N 266.344 3.687 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1O2 834969787 WIVISVZQZIMGME-UMVBOHGHSA-N 289.766 3.567 30 20 CHED CC(=NNCCC(F)(F)F)[C@H]1CCCC[C@H]1C 834976186 ILOQOONKEUPKBF-KOLCDFICSA-N 250.308 3.731 30 20 CHED CCC(=NNc1ccc(C(C)C)cc1)c1cn[nH]c1 835018623 RBJWQZCEKAOXFN-UHFFFAOYSA-N 256.353 3.759 30 20 CHED C=CCC1(NC(=O)/C=C/c2cnc(C)s2)CCCCC1 836956661 JWHGTJOVSDDEMQ-BQYQJAHWSA-N 290.432 3.860 30 20 CHED CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C#CC2CC2)o1 837444822 CAXMRVOVMXZHOA-XJKSGUPXSA-N 285.387 3.555 30 20 CHED C#CCCCCC(=O)OCCC1(C#N)CCCCC1 840406653 STGGEGUTEWJULP-UHFFFAOYSA-N 261.365 3.587 30 20 CHED CC(C)(CC#N)C/N=C/c1c(O)ccc2ccccc12 840709647 FEDKBNREYIMVGL-YBFXNURJSA-N 266.344 3.904 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cc(C)n(C)n2)cc1C 840712884 IEUHTOXXSDTQQZ-VOTSOKGWSA-N 268.360 3.550 30 20 CHED C#CCCOc1ccc(CNC[C@@H](C)CC(F)(F)F)cc1 840964860 WFHKCLSIOXPZKE-ZDUSSCGKSA-N 299.336 3.767 30 20 CHED CO[C@H](CC(C)C)C(=O)Nc1cc2ccccc2cc1C#N 841254533 ZLPVLWNNVSZWMQ-QGZVFWFLSA-N 296.370 3.711 30 20 CHED CO[C@@H](CNc1ccccc1O[C@H](C)C#N)c1ccccc1 841703450 VSZSATWKNCILKI-KDOFPFPSSA-N 296.370 3.777 30 20 CHED CC(C)Oc1ccccc1C=NOCCc1cscn1 842016962 DXMPCRRXRHHJMV-UHFFFAOYSA-N 290.388 3.524 30 20 CHED C#CC1CCN(C(=O)C2(c3ccccc3F)CCCC2)CC1 843708912 KYGTZSUOOXFBNQ-UHFFFAOYSA-N 299.389 3.509 30 20 CHED Cc1cc(C(=O)/C=C\c2cn(C)nc2C2CCCCC2)no1 844550896 PNWGKADSDSOYQY-HJWRWDBZSA-N 299.374 3.660 30 20 CHED C=C[C@H](C)ON=C(C)c1nc2cc(Cl)ccc2n1C 844621690 LEBAAWBSJNMCHC-VIFPVBQESA-N 277.755 3.542 30 20 CHED C=C(C)C(C)(C)C(=O)NCCC[C@H]1CC1(Cl)Cl 844958010 JASOOZBMTYMCIC-JTQLQIEISA-N 278.223 3.679 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1ccccc1C 853783988 UAPYBPSRWTVMJT-LLVKDONJSA-N 269.797 3.808 30 20 CHED CC/C(=C/C(=O)N1CCC[C@@H](CC#N)C1)c1ccc(C)cc1 855254856 QYMQZKOAIXDYPM-MUBYSKIDSA-N 296.414 3.941 30 20 CHED C=CCN(C(=O)/C=C\c1ccc2[nH]ccc2c1)C(C)(C)C 857650714 FAPLOLIGTYILRR-CLFYSBASSA-N 282.387 3.994 30 20 CHED C[C@@H](CC(=O)OCCCC(C)(C)C#N)c1ccco1 859812378 OFBLVZDZOSSLOE-LBPRGKRZSA-N 263.337 3.646 30 20 CHED C#C[C@@H](OC(=O)c1nc(C)c(C)s1)c1ccc(C)cc1 860963543 XMFDQXJUFPUKPD-CQSZACIVSA-N 285.368 3.600 30 20 CHED CC(C)c1ncc(/C=C2\CCc3scnc3C2=O)s1 863196274 DACIJPGPXOGZRY-WEVVVXLNSA-N 290.413 3.936 30 20 CHED CCCCCCCC(=O)OCC(=O)Nc1cccc(F)c1 866617195 ZAOJWJCYWOOHCZ-UHFFFAOYSA-N 295.354 3.668 30 20 CHED C=CCC(C)(C)c1nc(C(C)(C)c2ccncc2)no1 871857242 GQOBYBRDSMNBAW-UHFFFAOYSA-N 271.364 3.644 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C2(C)CC(F)(F)C2)n1 873508686 KTLYTRVUVMWILY-SECBINFHSA-N 298.358 3.878 30 20 CHED CSC(C)(C)CCN[C@@H](C)c1cccc(C#N)c1 877066184 FSKZCQPGBQBZJT-LBPRGKRZSA-N 262.422 3.741 30 20 CHED Cc1ccc(N[C@H]2CCOC3(CCCCC3)C2)c(C#N)n1 882111129 YWZGRHPJRGKGHD-AWEZNQCLSA-N 285.391 3.556 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887700150 AFWJRBQCDHSYPG-UHFFFAOYSA-N 296.414 3.867 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnc(Br)cc1C 889298658 ZMPDXKCPXUSGMK-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)CC1 889941458 VXLJEOZHTLVTNS-PBHICJAKSA-N 284.403 3.738 30 20 CHED C=C1CC(c2noc(-c3cnc(C(C)C)s3)n2)C1 896882353 JSABNYANAJDGIN-UHFFFAOYSA-N 261.350 3.750 30 20 CHED N#CC1(c2nc(-c3ccc(Cl)cn3)no2)CCCCC1 896957756 NWFPRDPFMSRBME-UHFFFAOYSA-N 288.738 3.510 30 20 CHED C#CCCCCC(=O)Nc1ccc(-c2nc(C)c[nH]2)cc1 898385372 NBFIESLAZNPCJP-UHFFFAOYSA-N 281.359 3.517 30 20 CHED N#CC1(CCCCOc2ccccc2C=O)CCC1 901378313 SHERHMSRPWRUIC-UHFFFAOYSA-N 257.333 3.742 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CC(C)(C)CC(=O)O 902349479 FMKFHUXPQDAGNO-ZNMIVQPWSA-N 281.440 3.990 30 20 CHED Cc1ccccc1C=NOCc1coc(C(C)(C)C)n1 902687334 CLBVEABSSLAHQN-UHFFFAOYSA-N 272.348 3.831 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cccc(C(F)(F)F)c1O 903102207 UJNXMBGIUVPVIN-VIFPVBQESA-N 286.297 3.611 30 20 CHED C=CCOc1ccccc1C(=O)Oc1cccc(F)c1 914037587 PJMIIWZMZLCIJO-UHFFFAOYSA-N 272.275 3.610 30 20 CHED CCOc1cccc(/C=N\Cc2sccc2C)c1O 914558386 VJRUUYGGNKKWNO-SXGWCWSVSA-N 275.373 3.780 30 20 CHED CCOC(=O)Cc1ccc(C(=O)/C=C/c2ccccc2)cc1 915106169 MGZFCIYOWULUMI-JLHYYAGUSA-N 294.350 3.688 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cccc(O)c1 916247043 WRFANKLQCVRSAC-UHFFFAOYSA-N 260.724 3.882 30 20 CHED CCCn1cccc1C=NNc1ncccc1C(F)(F)F 918153079 ULIGMFXJRCUNJG-UHFFFAOYSA-N 296.296 3.758 30 20 CHED CCCCCCCCCN(C)C(=S)NC(C)C 918722765 HOVNARDQYKKWBZ-UHFFFAOYSA-N 258.475 3.952 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1cc(C)ccc1C 920401098 UTJMUJPXXSASTE-UHFFFAOYSA-N 285.391 3.709 30 20 CHED N#Cc1cccc(COC(=O)Cc2cc3ccccc3o2)c1 920657779 KNNSLFXSBYMHHC-UHFFFAOYSA-N 291.306 3.590 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1C[C@@H]1c1cccc(F)c1 921261051 LKRBIIPGYHRJQC-SKCAXOJKSA-N 285.318 3.515 30 20 CHED C=CCC(F)(F)c1nc(-c2ncccc2SCC)no1 924415528 YSHKRGAONUYMLY-UHFFFAOYSA-N 297.330 3.912 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCCO[C@H]1C(C)(C)C 925104387 YJEMTLIBHAOIQM-QLFBSQMISA-N 280.456 3.746 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1c(F)cc(F)c(F)c1F 926320612 IZTBFRFWIQDBBI-MRVPVSSYSA-N 288.288 3.661 30 20 CHED C=C(CC)CN[C@@H](C)c1nc(Br)ccc1F 926550715 NNABPSTWYDLVCD-VIFPVBQESA-N 287.176 3.600 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1coc2ccccc12 926615948 QHNWRFHYTAWBFV-RWMBFGLXSA-N 254.333 3.776 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1[nH]nc(-c2ccncc2)c1CC 931820647 SUENIEDFOBMALM-LBPRGKRZSA-N 298.390 3.575 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(OCC#N)cc1 1116576642 DFFMNWLZYXCKTG-ZDUSSCGKSA-N 288.391 3.990 30 20 CHED O=C(CC#Cc1ccccc1)Nc1nc(C2CCC2)cs1 1116798202 RKUKAKYFIKXMTA-UHFFFAOYSA-N 296.395 3.791 30 20 CHED C=CCCCC[C@@H](C)Nc1cnn(Cc2cccnc2)c1 1117826199 GOVSLEIPTFFLCO-OAHLLOKOSA-N 284.407 3.873 30 20 CHED CCC[C@H](C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1119488380 WYYQNHYMJLPRSZ-ZDUSSCGKSA-N 270.376 3.880 30 20 CHED Cc1ncc(CSCCCCC2(C#N)CCC2)cn1 1120356746 KKAIFZURACQTNG-UHFFFAOYSA-N 275.421 3.882 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)Sc1ccccn1 1120813694 KTMASPMBFSWFMI-UONOGXRCSA-N 290.432 3.519 30 20 CHED N#Cc1ccc(NC(=O)c2ccccc2-n2cccc2)cc1 1124342657 ODQRUDMIAHQTAT-UHFFFAOYSA-N 287.322 3.601 30 20 CHED CC(C)(C)Sc1ccc(Nc2cncc(C#N)n2)cc1 1162355732 IURNXDNVDPRYQK-UHFFFAOYSA-N 284.388 3.982 30 20 CHED N#Cc1cnnc(N2C[C@H](c3ccccc3)c3ccccc32)c1 1163190822 FBJNCXVTNYISQM-QGZVFWFLSA-N 298.349 3.632 30 20 CHED CCCCCC[C@@H](C)C(=O)[C@H](C#N)c1ncc(Cl)n1C 1263616420 WHEOYFZHKOXAOZ-NEPJUHHUSA-N 295.814 3.856 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Sc2ccncc2)cc1 1306779136 FDRVOYGAORARMZ-GFCCVEGCSA-N 297.383 3.721 30 20 CHED Cc1cc(C)c(C=NNCc2ccc(F)cc2)c(C)c1 1319278141 LXTLAIDCIABWEB-UHFFFAOYSA-N 270.351 3.875 30 20 CHED CC(CSc1ccccc1[N+](=O)[O-])=NOC(C)(C)C 1319730882 XNUQGZLQCLQXTB-UHFFFAOYSA-N 282.365 3.878 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1[nH]c(C)cc1C 1320885893 WXVKGWXZSACCBG-UHFFFAOYSA-N 298.386 3.782 30 20 CHED C=CCCCCNC(=O)[C@@H](C)c1ccc(F)cc1F 1321284107 DLMDQYHVSGQQPO-NSHDSACASA-N 267.319 3.541 30 20 CHED Cc1cc(C(=O)/C=C\c2cccnc2N(C)C)c(C)s1 1323089514 ZAMRFAPEAXBPEI-FPLPWBNLSA-N 286.400 3.722 30 20 CHED N#Cc1ccc(-c2nnc([C@H]3CCCC(F)(F)C3)o2)cc1 1327936462 YHFYMLKUNIEABT-LBPRGKRZSA-N 289.285 3.901 30 20 CHED Cc1cccc(CN(C)C(=O)CC#Cc2ccccc2)c1C 1328463326 HTNVZYDXJANXOL-UHFFFAOYSA-N 291.394 3.704 30 20 CHED CC(C)(C)ON=Cc1ncc(-c2ccccc2)s1 1330029172 MBUMKUMTBWCBAU-UHFFFAOYSA-N 260.362 3.959 30 20 CHED CC(=O)CC(C)(C)CC(=O)Nc1ccc(Cl)cc1C#N 1334248986 YRYIBYJRMGIVRT-UHFFFAOYSA-N 292.766 3.546 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1(C(C)(F)F)CC1 1334835982 XPOMRHWCWWJMJF-LLVKDONJSA-N 292.329 3.513 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1OCC(F)F 1335820834 RAIYQOLCKYGPNL-UHFFFAOYSA-N 269.291 3.625 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1nc(C)cs1 1339886627 VWRPTAYRPBDPSB-QWHCGFSZSA-N 293.436 3.653 30 20 CHED CCNc1ccc(C#N)cc1NCCc1ccc(OC)cc1 1341840726 XTHPKUXIHVSXCH-UHFFFAOYSA-N 295.386 3.653 30 20 CHED CN(C(=O)c1cccc(C2CC2)c1)c1cccc(C#N)c1 1357381261 JQGJCHOWSVXTGG-UHFFFAOYSA-N 276.339 3.712 30 20 CHED CCCOc1cccc(CCNc2ncc(C#N)cc2F)c1 1472736041 SBKAIHBYXBXUAV-UHFFFAOYSA-N 299.349 3.536 30 20 CHED CN(CCSc1ccccc1C#N)Cc1ccccc1 1472990200 RCCZIEZABJSFEN-UHFFFAOYSA-N 282.412 3.782 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2cccc(CC#N)c2)c1 1525934208 RGVTVKGQZCYAFD-AWEZNQCLSA-N 278.355 3.803 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H](C)c2cccc(F)c2)n1 1526860885 VUFLMDIYQZYQIY-LLVKDONJSA-N 297.333 3.533 30 20 CHED Cc1ccc(F)c(C(=O)N2CCCc3cc(C#N)ccc32)c1 1533911027 ZLGNAXBMQMUSPF-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C[C@H](OC(=O)c1cnccc1C#N)c1ccc(Cl)s1 1535031687 XPJURXJORVMRKI-QMMMGPOBSA-N 292.747 3.586 30 20 CHED C[C@H](CC#N)N(C)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 1537946609 KOWBGSZNVHPHCP-IJLUTSLNSA-N 290.329 3.506 30 20 CHED N#Cc1c(F)cccc1Sc1ncnc2ccc(F)cc12 1559222865 PDAODLDTWURKLB-UHFFFAOYSA-N 299.305 3.931 30 20 CHED C=C(Cl)CN[C@H](CN1CCCCC1)c1ccccc1 1559742261 IGTXTOIIABDNFH-MRXNPFEDSA-N 278.827 3.556 30 20 CHED CCc1ccc(CN(CC(C)C)c2cc(C#N)ncn2)cc1 1612523420 QELUCIRXTKVKLJ-UHFFFAOYSA-N 294.402 3.573 30 20 CHED CCc1ccc(CSc2cccnc2C#N)cc1 1613785383 IJEJYRQKRUOQLJ-UHFFFAOYSA-N 254.358 3.808 30 20 CHED Cc1ccc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)s1 1624013558 OCVJYUWBZDTZOO-UHFFFAOYSA-N 290.775 3.858 30 20 CHED Cc1cc(N2CC3(CCC3)c3c(F)cccc32)c(C#N)cn1 1639394561 ZPLQCVVLKTUHLS-UHFFFAOYSA-N 293.345 3.974 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)[C@H]1CCCC[C@@H]1C 1642722599 RBZLYCHURKRJOR-YOEHRIQHSA-N 286.419 3.967 30 20 CHED C=C(Cl)CN([C@H]1CCc2ccccc21)[C@H](C)COC 1644046621 NHPLROUEKSAIEG-CJNGLKHVSA-N 279.811 3.763 30 20 CHED C=C(Cl)CN1CCCN(c2cccc(Cl)c2C)CC1 1645626910 YLBALKYAZXRFGT-UHFFFAOYSA-N 299.245 3.913 30 20 CHED C[C@H]1CCC[C@@H](CN2CCN(c3ccc(C#N)cc3)CC2)C1 1654541821 YXIPGJNBQUWKEG-FUHWJXTLSA-N 297.446 3.507 30 20 CHED C=C(Br)CNC[C@H]1CCCC(C)(C)C1 1655563269 COEPGQJSUGQGPA-NSHDSACASA-N 260.219 3.701 30 20 CHED CNc1ccc(C)cc1CNc1cccc(C#N)c1C 1656341143 LVEFJRNHIJHZMM-UHFFFAOYSA-N 265.360 3.829 30 20 CHED C=C(CNC(=O)N1CCC[C@@H](CCC)C1)c1ccccc1 1673395433 LKBBMYSSIORTFT-MRXNPFEDSA-N 286.419 3.922 30 20 CHED C[C@@H](NC(=O)NCC1CCCCCC1)c1ccc(C#N)cc1 1676108289 PGBZFSXJFQETHU-CQSZACIVSA-N 299.418 3.889 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CC[C@](C)(CC)C1 1760373479 TZGPJXYHUZZFGN-HNNXBMFYSA-N 294.830 3.534 30 20 CHED O=C(O)c1cc(NN=Cc2ccsc2Cl)ccc1F 1776062877 PEMRWAWRLOBGAV-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C=C(C)CN(C)c1c(C(=O)O)cnc2c(C)c(C)ccc12 1776139698 SHIJKPJNJKZJOR-UHFFFAOYSA-N 284.359 3.562 30 20 CHED C=CC(C)(C)CCCNc1c(C(=O)O)cccc1[N+](=O)[O-] 1776147431 ZWSGWXIPWJTRIH-UHFFFAOYSA-N 292.335 3.697 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1ccc(/C=C\C(=O)O)o1)C2 1777455681 MHVSJFUCPBDTIJ-BRSIODNASA-N 294.306 3.508 30 20 CHED COc1cccc(/C=N/[C@@H](C)c2ccccc2)c1O 5273446 GLKLLGLTBKQCOA-OOIIIRTPSA-N 255.317 3.581 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1ccc(OC(F)F)cc1 7744318 JTDMODNDIABBDG-RUDMXATFSA-N 290.265 3.890 30 20 CHED C[C@@H](NC(=O)c1cccc(C#N)c1)c1cc2ccccc2o1 8238835 AQVKRKQXCZMDFK-GFCCVEGCSA-N 290.322 3.795 30 20 CHED O=C(O)c1cccc(NN=C2CCCCCCC2)c1 15353839 JKQMKUANRDWMNG-UHFFFAOYSA-N 260.337 3.897 30 20 CHED CCOc1ccccc1/C=C1/COc2ccccc2C1=O 33447508 KTSBKULQMAJXBS-KAMYIIQDSA-N 280.323 3.744 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1 33476463 NWLQTSUNPOMVPU-YVMONPNESA-N 269.250 3.733 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2cccc(OCC#N)c2)o1 37069545 DGQWZIUGRQFOQD-MLGOLLRUSA-N 282.343 3.917 30 20 CHED CC(C)(C)c1cccc(OCCNc2ncccc2C#N)c1 41485374 GLJSIAYGTOTUEN-UHFFFAOYSA-N 295.386 3.742 30 20 CHED CC(C)c1ccc(C(=O)N(CCC#N)C(C)C)cc1 42530434 NLTOQJKGNLROTB-UHFFFAOYSA-N 258.365 3.574 30 20 CHED C[C@H]1C[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N 42981063 VKZKTRBESSJQFW-ZFWWWQNUSA-N 290.366 3.611 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Cl 46526463 LFHHSGJDGAOSBU-UHFFFAOYSA-N 288.753 3.983 30 20 CHED N#CCCN(C(=O)CSC1CCCC1)c1ccccc1 60966119 KNZCKXWZJWJHDH-UHFFFAOYSA-N 288.416 3.609 30 20 CHED CC[C@H]1c2ccccc2CCN1CCCSCC#N 74990974 KPKQLDOYPYIZMH-INIZCTEOSA-N 274.433 3.643 30 20 CHED C[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1F 75276313 FOKVNRLRKQBTHH-QWHCGFSZSA-N 296.345 3.678 30 20 CHED C/C(=C/C(=O)N(CC#N)C1CCCC1)c1ccc(F)cc1 78208162 RIVPAVOCWWEWHI-SEYXRHQNSA-N 286.350 3.524 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1 78256634 ZTGSYEYBRASZML-CZUORRHYSA-N 270.376 3.710 30 20 CHED C[C@H](NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 79532752 SYPDFHIEPUQJRO-JKIFEVAISA-N 299.418 3.839 30 20 CHED N#Cc1csc(C(=O)Nc2cccc(Cl)c2F)c1 84069520 FBWXYZAHASIQJZ-UHFFFAOYSA-N 280.711 3.665 30 20 CHED COCc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 88567400 GVMFHVARFPCCGU-CQSZACIVSA-N 280.371 3.555 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc3ccccc3c2)cn1 96577633 RBEDAMCIEDFGJL-YFHOEESVSA-N 276.339 3.952 30 20 CHED C=CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C1CC1 102225195 XZXJDFYJPNRRPZ-CQSZACIVSA-N 287.403 3.789 30 20 CHED CN(CCCCC#N)CCCOc1cccc(Cl)c1 102397661 GUWAAEIOKQHQMU-UHFFFAOYSA-N 280.799 3.735 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNc2ccc(C#N)cc2)c1 113925549 JXCVDCCDMLAYAE-KRWDZBQOSA-N 291.354 3.851 30 20 CHED C=CCS[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 114757398 VKBASBKVDIXHAZ-ZFWWWQNUSA-N 277.433 3.952 30 20 CHED CC(C)c1nnc(S[C@H](C#N)C2CCCCC2)n1C 115187719 KJGPBSQMKJMNHL-GFCCVEGCSA-N 278.425 3.503 30 20 CHED C=CC[C@@H](C)NCc1ccc(Br)cc1F 116927701 QYTOMCCMLGZVKT-SECBINFHSA-N 272.161 3.642 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 117195877 MGEQIBAWXAPKNA-KRWDZBQOSA-N 284.403 3.528 30 20 CHED C=CCCCSc1nnc(Cc2cccc(OC)c2)o1 117552776 CVTVKFJDXOPVAQ-UHFFFAOYSA-N 290.388 3.727 30 20 CHED CC(C)(C#N)CCN1CCSC[C@@H]1c1ccccc1 119925640 PSZCPDVAEMBVAU-OAHLLOKOSA-N 274.433 3.716 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 121011051 VYGQESRCHYPRMW-NEPJUHHUSA-N 295.308 3.800 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NCc1cc(C#N)ccc1F 121024759 SNDCJHINTJCCFX-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(F)cc1Cl 122217409 LBWZGENRHNMWGE-SECBINFHSA-N 254.736 3.679 30 20 CHED CCC[C@@H](C)CC(=O)Nc1nc(C)c(SCC#N)s1 122545210 WRDVORVUDQZSCK-SECBINFHSA-N 297.449 3.832 30 20 CHED N#Cc1ccc(CNc2ccc(F)cc2OC(F)F)s1 122840264 GCKHEMPXTNILPG-UHFFFAOYSA-N 298.289 3.972 30 20 CHED CCCCCCCC(=O)NCc1c(CC)noc1CC 122858735 CYKJYWISPBGKTR-UHFFFAOYSA-N 280.412 3.776 30 20 CHED CCc1nnc(N[C@@H](C)c2cccs2)c(C#N)c1CC 124904866 KUMBYGAWGBFWMV-JTQLQIEISA-N 286.404 3.708 30 20 CHED Cc1n[nH]c(C)c1/C=C1\COc2c(cccc2C(C)C)C1=O 125410215 UZKHEDUNBDMBST-MDWZMJQESA-N 296.370 3.809 30 20 CHED N#CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCCC1 125752058 KHKMTZMNLNVCQQ-BZUAXINKSA-N 288.435 3.936 30 20 CHED CCN(CCC#N)Cc1ccc(-c2ccccc2)o1 127582474 WJQSGVMXARNXLP-UHFFFAOYSA-N 254.333 3.682 30 20 CHED N#Cc1cc(F)ccc1NCC1([C@H](O)c2ccccc2)CC1 129939598 HKSCZRGUNHUQBY-QGZVFWFLSA-N 296.345 3.623 30 20 CHED Cc1cc(Cl)cc2c1OC/C(=C\c1cncs1)C2=O 130053678 JDDRFZHRTBYTQR-YCRREMRBSA-N 291.759 3.764 30 20 CHED C[C@H](OC(=O)c1ccc(-n2cccc2)cc1)C(C)(C)C#N 131035664 JNEKPKBZYHHTBR-ZDUSSCGKSA-N 282.343 3.572 30 20 CHED COc1ccc(C#N)cc1COc1ccc2[nH]ccc2c1 132070941 HGPURIKBBWRSGJ-UHFFFAOYSA-N 278.311 3.627 30 20 CHED CCCCC[C@H](C(=O)N(CC)CCC#N)C(C)C 133380322 FRDKLCISWMIYDH-AWEZNQCLSA-N 252.402 3.601 30 20 CHED C=CCC[C@@H](NC(=O)CC1CCOCC1)c1ccccc1 133763488 UAZOBPORTYRMAN-QGZVFWFLSA-N 287.403 3.627 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CCC(C)(C)c1ccccc1 151718548 CDNXZIDNJNHCAG-GOSISDBHSA-N 286.419 3.799 30 20 CHED N#CCC[C@H](C#N)COc1ccc(Oc2nccs2)cc1 154692904 GIUQEXVFUZAEAX-GFCCVEGCSA-N 299.355 3.758 30 20 CHED CC(C)n1cccc1C(=O)N[C@H](CCC#N)c1ccccc1 156194121 BNYIXLUUNRMWOL-MRXNPFEDSA-N 295.386 3.844 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 156949137 ORXNUQMQHVWFEE-DOMZBBRYSA-N 276.767 3.611 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 156949413 ORXNUQMQHVWFEE-WFASDCNBSA-N 276.767 3.611 30 20 CHED C=C(C)CN(CC)Cc1c[nH]nc1-c1ccc(F)cc1 159002309 KGLUOGRJHNUGBJ-UHFFFAOYSA-N 273.355 3.614 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C/C(=C\C)CC 160029700 LCPDJZADYXXATK-FHQGNSKOSA-N 287.334 3.689 30 20 CHED Cc1cc(C)c(O)c(CN(CCC#N)CCC(C)C)c1 164290307 SBMFPOAJMTXQNY-UHFFFAOYSA-N 274.408 3.771 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(Cl)nc1 172685186 SZIQKUBJWDGXSL-UHFFFAOYSA-N 281.787 3.945 30 20 CHED CO[C@]1(C)C[C@@H](/N=C/c2cc3ccccc3nc2O)C1(C)C 174033502 VXUFURPPGKUVHR-BQUHMRARSA-N 298.386 3.563 30 20 CHED N#CCC1(COC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 174730455 YFIQWZGSHAENRE-LPHOPBHVSA-N 295.382 3.518 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1Cc1ccccc1 175188482 IFDBFRWBASEUCS-MRXNPFEDSA-N 257.377 3.576 30 20 CHED O=C1/C(=C\c2cc(F)c(O)c(F)c2)Cc2cc(F)ccc21 175326867 PWBKPNZAADLQTA-KMKOMSMNSA-N 290.240 3.632 30 20 CHED C=CCCCC(=O)N(C)[C@H](CC)Cc1ccccc1 175859146 POQCSTMCOYGAAH-MRXNPFEDSA-N 259.393 3.822 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(SC(C)C)cc1 175996561 RORWQPFEITXQCP-GFCCVEGCSA-N 263.362 3.646 30 20 CHED C[C@H](OC(=O)c1cc(C#N)cs1)c1ccccc1 176471859 WYIVNJCWJSAPJO-JTQLQIEISA-N 257.314 3.538 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1cccc(F)c1 176644329 BLJRDNMLQQOWCD-WBMJQRKESA-N 288.366 3.518 30 20 CHED CCCC[C@H](NC(=O)c1cccc(CC#N)c1)C1CCC1 177132447 MGIROSRHWPHTMF-KRWDZBQOSA-N 284.403 3.841 30 20 CHED C=CCCCC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 177845088 NMOFBTVGNPSAEX-CYBMUJFWSA-N 278.421 3.644 30 20 CHED C=CCN1CCC(N[C@H]2CC[C@@H](C)c3ccccc32)CC1 177910583 JUPGOBVQZOBEDS-BEFAXECRSA-N 284.447 3.865 30 20 CHED C[C@H](NC(=O)NCCCCC#N)[C@@H](C)C1CCCCC1 178658847 VMHAEJJBMPELAS-KGLIPLIRSA-N 279.428 3.584 30 20 CHED N#CCCCCN[C@H]1CCCOc2cc3c(cc21)CCC3 179108814 JGGNQWYVYGMYRU-KRWDZBQOSA-N 284.403 3.672 30 20 CHED COC[C@H](C#N)N[C@H](CC1CCCCC1)c1ccccc1 181331534 CECWMRRUJJJRRF-ZWKOTPCHSA-N 286.419 3.826 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(Cl)c1C 181496104 GAJUJYQFGTVKBK-UHFFFAOYSA-N 252.745 3.688 30 20 CHED CC[C@@H](C)CN(C)c1ccc(F)cc1CNC[C@@H](C)C#N 183830698 RJUHARRRKIXVRK-KGLIPLIRSA-N 291.414 3.557 30 20 CHED CC[C@@H](CC#N)NC(=O)c1sc2ccc(F)cc2c1C 183857810 YHDMVLMMGPPPQS-NSHDSACASA-N 290.363 3.771 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(Cl)cc1C#N 185273486 AEHHTRQQQCWGHU-UHFFFAOYSA-N 298.729 3.671 30 20 CHED C#CCC(C)(C)C(=O)OCc1cnc(-c2ccccc2)s1 185709068 YNEHEGSCCMRSGT-UHFFFAOYSA-N 299.395 3.903 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)s1 186694101 PQHQSRFUPQGNST-WFASDCNBSA-N 276.405 3.803 30 20 CHED N#Cc1cc(Cl)ccc1CN1Cc2ccccc2C1 186995629 KPTPACXVGRKVBV-UHFFFAOYSA-N 268.747 3.727 30 20 CHED CC[C@H](CC#N)OC(=O)c1csc(-c2ccc(C)o2)n1 187900205 OTTXBJOVZQKHDK-SNVBAGLBSA-N 290.344 3.561 30 20 CHED C[C@@H](CC#N)N(C)C(=O)CCCCCc1ccc(F)cc1 189133323 WSSWOGAXPRGUED-AWEZNQCLSA-N 290.382 3.689 30 20 CHED N#Cc1cccc(OCc2ccc(Cl)nc2Cl)c1 194357341 POIORSSGYZCTEY-UHFFFAOYSA-N 279.126 3.839 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccccc2C#N)cc1F 194589067 DFHXLUPVLBHDCD-CMDGGOBGSA-N 265.287 3.902 30 20 CHED CCCCCCCNC1CCN(C(=O)OC(C)(C)C)CC1 226312402 FVZBBWSWXXUMOM-UHFFFAOYSA-N 298.471 3.946 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2nc3c(cc2C#N)CCC3)C1 227358341 XBJJXIPBUSZKCY-ZIAGYGMSSA-N 287.432 3.528 30 20 CHED CSCC[C@@H](C)N(C)Cc1ccc(O[C@H](C)C#N)cc1 245786137 VFYMYJFNUSRJDG-ZIAGYGMSSA-N 292.448 3.551 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1F)c1cccnc1 254989429 WCYIYVWQWFNJOB-UTCJRWHESA-N 261.683 3.770 30 20 CHED CCc1ccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)o1 255374276 ITMISPHFNASWJS-NTMALXAHSA-N 292.338 3.924 30 20 CHED CCCCON=C(C)c1ccc(NC(=O)C2CC2)cc1 255417054 ONNIKNGLGNQJFP-UHFFFAOYSA-N 274.364 3.576 30 20 CHED Cc1cnc(CON=Cc2ccccc2OC(C)C)s1 255492184 AJGRGLCHXKFPLE-UHFFFAOYSA-N 290.388 3.789 30 20 CHED COc1ccc(CON=Cc2ccccc2C)cc1F 255710259 HYQJAVKGAVYFJN-UHFFFAOYSA-N 273.307 3.693 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C(C)C)oc2ccc(Cl)cc12 264661800 VTHUTMMEZSDSMC-GFCCVEGCSA-N 290.750 3.673 30 20 CHED N#C[C@@H](NC(=O)C1CC=CC1)c1c(Cl)cccc1Cl 265814034 AQXNZJHFXIMKEK-GFCCVEGCSA-N 295.169 3.640 30 20 CHED CCCN(CC)Cc1ccc(OC)c(OCCCC#N)c1 269352928 LAEJMPHHVRLYFJ-UHFFFAOYSA-N 290.407 3.610 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@H]1CCc2ccccc21)OCC 270019616 IMLJUOSZQNTHGL-DLBZAZTESA-N 287.403 3.504 30 20 CHED C#CCCCOc1ccc(C2SCCS2)cc1OC 270925280 OTXAYSNOBDHZCM-UHFFFAOYSA-N 294.441 3.966 30 20 CHED C#CCCCCC(=O)N1CC[C@H]1c1ccc(Cl)cc1 271390524 FYNGFLKNALHBAK-HNNXBMFYSA-N 275.779 3.807 30 20 CHED C#CC[C@@H](NCc1ncc(C(C)(C)C)o1)c1ccccc1 271714985 OYTRLEQQRGBPHB-OAHLLOKOSA-N 282.387 3.826 30 20 CHED C[C@H]1C[C@H](NCCCC#N)c2cccc(Br)c21 273314790 XTPJYCHGHCHZOZ-GWCFXTLKSA-N 293.208 3.891 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H](C)c2cccnc2)c1C#N 273425488 ZMRMWYCLBCVQFG-LLVKDONJSA-N 286.766 3.508 30 20 CHED C#CCCCC(=O)Nc1ccc(OC(C)C)cc1Cl 277401651 FMPVKCMYMAKBQF-UHFFFAOYSA-N 279.767 3.869 30 20 CHED CC[C@@H](C)c1nc([C@@H](C)Nc2cccc(F)c2C#N)n[nH]1 277480208 SLKWQKNSOHPNAP-NXEZZACHSA-N 287.342 3.502 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(-c3csnn3)cc2)C1 278886302 YGMMQMPHRCXCSX-FZMZJTMJSA-N 284.388 3.699 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 280954933 RWINNCDRBFJRCD-ZDUSSCGKSA-N 296.370 3.914 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)c1c(F)cccc1F 281159940 WSQAWLGVWFHACY-QWRGUYRKSA-N 267.319 3.539 30 20 CHED Cc1ccc2sc(C(=O)N(CCC#N)CC3CC3)cc2c1 290480989 VLMCCMAORMTLIK-UHFFFAOYSA-N 298.411 3.976 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C(C)(F)F 292881099 DXQLZWDJGKABKI-LBPRGKRZSA-N 294.345 3.587 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(-c2nnc(CC)o2)c1 293437963 OLKLHYLCCYVYIH-UHFFFAOYSA-N 299.374 3.840 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 294444315 LUNFIDCVWHFTRR-UHFFFAOYSA-N 285.309 3.876 30 20 CHED CCCCCCCCN[C@H](c1nnc[nH]1)c1cccs1 294836637 RNRJSWVFOZRNBQ-AWEZNQCLSA-N 292.452 3.906 30 20 CHED N#Cc1cccc(Cl)c1N1CCc2cc(F)ccc2C1 301932456 PEXJJANEGLXHMS-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=CC1CCN(c2cc(C)nc3c([N+](=O)[O-])cccc23)CC1 302037862 VIOBXFHZVYFRFP-UHFFFAOYSA-N 297.358 3.854 30 20 CHED C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H]2CCCC[C@@H]12 302134004 CSALTNOZCSOIQF-UHIISALHSA-N 275.783 3.622 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(c2c(F)cc(C#N)cc2F)C1 302161821 YQMSNAOZSXWFNM-ZBEGNZNMSA-N 299.324 3.819 30 20 CHED CC[C@H](CC#N)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 302168478 SQQUMAOOFTUPIV-CYBMUJFWSA-N 296.330 3.761 30 20 CHED C=C(Br)CNc1ccnc2c(OC)cccc12 302447603 OHWSYLGYUZDHOE-UHFFFAOYSA-N 293.164 3.564 30 20 CHED Cc1ccc(N2C[C@@H](c3ccccc3)C(C)(C)C2)nc1C#N 302666015 QBUSTNNDWBWUJC-INIZCTEOSA-N 291.398 3.892 30 20 CHED Cc1ccc(N/C(N)=N\C[C@H](C)Cc2cccs2)cc1 304793894 LTCFUWRVYGATOF-CYBMUJFWSA-N 287.432 3.662 30 20 CHED N#Cc1ccc(CN2CCC(C(F)F)CC2)c(Cl)c1 307885091 RSYVQIWJVVTGKA-UHFFFAOYSA-N 284.737 3.689 30 20 CHED C=CCCCN[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 309872436 RXGVDPYEOAXSIZ-HUUCEWRRSA-N 296.455 3.578 30 20 CHED CCC[C@H](NCC#N)c1ccc(Cl)c(Cl)c1 310000178 DNPBQNZSYYUHON-LBPRGKRZSA-N 257.164 3.948 30 20 CHED N#Cc1ccc(OCc2cc(Cl)ccn2)c(Cl)c1 310894513 LMEILRNRGIRHRK-UHFFFAOYSA-N 279.126 3.839 30 20 CHED N#CCc1cccc(NC2CC(C#N)(c3ccccc3)C2)c1 313445271 JWNUWASLGYORIS-UHFFFAOYSA-N 287.366 3.789 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc2ccccc2c1 320273620 MKOCIFJFMOCVJT-KDOFPFPSSA-N 269.388 3.818 30 20 CHED Cc1ccnc(CNc2ccc(C(F)(F)F)cc2C#N)c1 328247821 ILMJTCGHMVKNHT-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCn1nccc1N/C(O)=N/[C@@H]1CCCCC12CCCC2 329609973 JESFWGIYHZZRSR-CYBMUJFWSA-N 290.411 3.732 30 20 CHED Cn1c(N=C(O)C2(C)CCCCCC2)nc2cccnc21 330309718 UKJFGSPZZMNQGD-UHFFFAOYSA-N 286.379 3.917 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(CC#N)cc1 330492893 RQROWNWPJGFLNN-CJNGLKHVSA-N 284.403 3.697 30 20 CHED Cc1cc2sc(N=C(O)NC(C)(C)C)nc2cc1F 331251256 STNOTTRHPMEMCM-UHFFFAOYSA-N 281.356 3.677 30 20 CHED Cc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 334402195 FZLPHTOQKRLPDC-SFHVURJKSA-N 262.356 3.644 30 20 CHED N#CC1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 335865444 MSSAQGWBMQORLU-OAHLLOKOSA-N 260.768 3.563 30 20 CHED Cn1ccc(C(=O)Nc2ccc(C#N)c(F)c2)c1C1CCC1 336285003 MKDHPOYQWUIMKI-UHFFFAOYSA-N 297.333 3.556 30 20 CHED CCCC[C@H](C)C(=O)N(CCC#N)CCC(C)C 337505047 YQZILPKLIBESHL-AWEZNQCLSA-N 252.402 3.601 30 20 CHED C=CCCC(=O)Nc1cc2sc(C)nc2cc1OC 338883643 KEFMIBWPVYTRKY-UHFFFAOYSA-N 276.361 3.518 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2nccs2)C1 339030159 TVEVDUITUNYXDX-SNPRPXQTSA-N 283.400 3.514 30 20 CHED C=C(C)CN(CC)Cc1ccc(O)c2nc(C)ccc12 340120666 YGFKFXWTPZIBMY-UHFFFAOYSA-N 270.376 3.647 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCC[C@H]1F 340525623 WZXQARQQXKRSQJ-IKGGRYGDSA-N 272.367 3.806 30 20 CHED Cc1oc2ccccc2c1CC(=O)N(CC#N)C1CCCC1 341488059 YKWUHQRBFGVXJH-UHFFFAOYSA-N 296.370 3.579 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C1CC1)C1(C#N)CCC1 341603528 NFGPPZRVSOPKRO-DLBZAZTESA-N 294.398 3.536 30 20 CHED C=CC[C@H](C)NC(=O)CCSc1ccc(C)cc1 342363094 VDEXCHWIEIYNBD-ZDUSSCGKSA-N 263.406 3.558 30 20 CHED CCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1Cl 342806824 UCFMMNCMTBQBGW-DGCLKSJQSA-N 278.783 3.521 30 20 CHED Cc1nnc(Nc2ccc(F)c(C3CC3)c2)c(C#N)c1C 343045837 OQEKKNZBSYJIGC-UHFFFAOYSA-N 282.322 3.725 30 20 CHED CC[C@H](NCCc1cccc(C#N)c1)c1ccccc1F 348338340 GUCUCHWAXBVCQO-SFHVURJKSA-N 282.362 3.981 30 20 CHED C=CC[C@H](CC)N1C(=O)[C@H]2CC[C@H](c3ccccc3)N2C1=O 348567742 XXZINHCRORYFPU-ARFHVFGLSA-N 298.386 3.509 30 20 CHED C[C@H](Sc1cccc(C(N)=O)c1)c1ccc(C#N)cc1 351727638 PNHBJOUEQUGBAF-NSHDSACASA-N 282.368 3.510 30 20 CHED CC(C)c1nn(-c2ccccc2)cc1CN(C)C[C@H](C)C#N 352090468 ALFUMXRAYDTELR-OAHLLOKOSA-N 296.418 3.587 30 20 CHED CCc1nc(C)ccc1OCCCOc1cccc(C#N)c1 352548820 WKHBQTLFWRXLKG-UHFFFAOYSA-N 296.370 3.672 30 20 CHED N#CC[C@H](CC(=O)N(CC1CC1)CC1CC1)c1ccccc1 356112142 FOPRELVIGHREHO-GOSISDBHSA-N 296.414 3.723 30 20 CHED C=CCCC1(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)CC1 356836838 SMYDLHPKIHWGIS-CYBMUJFWSA-N 295.382 3.840 30 20 CHED C=C(CC)CSc1nnc(-c2sc(C)nc2C)o1 358553230 FEAZSTCCYFEIPR-UHFFFAOYSA-N 281.406 3.868 30 20 CHED C=CCOc1ccc(CNC(=O)c2cscc2C)cc1 359085814 KUOQVRPGIOREAW-UHFFFAOYSA-N 287.384 3.551 30 20 CHED Cc1nc(NCCC[C@@H]2CCCCO2)c(Cl)cc1C#N 360047494 MCTQJEPLSYLGSA-ZDUSSCGKSA-N 293.798 3.676 30 20 CHED Cc1c(C(=O)Nc2ccccc2C#N)cnc2ccccc12 361182754 IDRLDGOWTBEQJA-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(F)F)c1 362804782 HHJKXXDVWZKNSE-LSDHHAIUSA-N 298.292 3.546 30 20 CHED C=CCCCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 378355652 LYSRIOIBROJICX-UHFFFAOYSA-N 280.371 3.530 30 20 CHED Cc1cnccc1CNc1cccc(OCCCC#N)c1 384865680 PNLIVSHAUQZULJ-UHFFFAOYSA-N 281.359 3.685 30 20 CHED C[C@@H](CN[C@H](C)c1cccc(C#N)c1)CC(F)(F)F 396906604 FOIODULAULXIBF-GHMZBOCLSA-N 270.298 3.797 30 20 CHED COc1cc(NCc2ccc(CC#N)cc2)c(C)c(OC)c1 409868577 NDWMKRVIDMUQOI-UHFFFAOYSA-N 296.370 3.690 30 20 CHED C[C@H]1C[C@H](C(=O)N(C)c2ccc(C#N)cc2)CC[C@H]1C 410526496 OLKBZHWLSXSTSD-VNHYZAJKSA-N 270.376 3.593 30 20 CHED C[C@@H]1CC[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C[C@H]1C 410673886 KTCLZYWWMBFIQM-FOCJUVANSA-N 264.413 3.503 30 20 CHED CCCC[C@H](CC)CC(=O)N(C)[C@@H](C#N)CCC 410826561 IODZVOLJCFATGQ-UONOGXRCSA-N 252.402 3.744 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411322283 JQRJTJQCTADENE-RNJTYBCJSA-N 296.414 3.699 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(c2ncc(C#N)cc2F)C1 413158333 RUXVTNOIJRPQRT-HIFRSBDPSA-N 295.361 3.783 30 20 CHED C=CCC[C@H](NC1CCC(OC)CC1)c1ccco1 414177359 IWSVFQNZZWSQKQ-NRXISQOPSA-N 263.381 3.834 30 20 CHED CC(C)[C@H](C)[S@](=O)CCC1(C#N)CCCCC1 414232848 DKAZVEJNUQJAJY-SUMWQHHRSA-N 255.427 3.644 30 20 CHED Cc1cc(CNC[C@H](C)CC(F)(F)F)ccc1C#N 414507787 AOUVUIZABCFEQF-SNVBAGLBSA-N 270.298 3.545 30 20 CHED CCc1cccc(CC)c1NC(=O)NCC1(C#N)CCC1 416734976 NLEHIOOEBPVPBK-UHFFFAOYSA-N 285.391 3.627 30 20 CHED CN(C(=O)NCC1(CC#N)CC1)[C@H]1CCC[C@H]1C(C)(C)C 419520101 LSCLYWKRKUSUHO-KGLIPLIRSA-N 291.439 3.536 30 20 CHED C[C@H](C[C@H]1CCCCCN1)N[C@@H](CCC#N)c1ccccc1 422999513 SMUUKLCHBJFTKD-QRQLOZEOSA-N 299.462 3.932 30 20 CHED C[C@@H]1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 424324999 KOVYLXPULIGKBZ-UMPJEAMMSA-N 254.377 3.907 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H](C)C(F)(F)F)CCCC1(C)C 425681197 GQCOJBONJHUMRN-QWRGUYRKSA-N 292.345 3.714 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)CSc1ccc(F)cc1 426663988 OXINPSHKUJBKJQ-CYBMUJFWSA-N 293.407 3.755 30 20 CHED C=CCN(C)Cc1cccc(OCc2ccccc2C#N)c1 428376241 QKCYTCAEWYBJCC-UHFFFAOYSA-N 292.382 3.755 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1C#Cc1ccccc1 429335403 OWSKIHXTXVKOCE-UHFFFAOYSA-N 290.366 3.736 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)COc1c(C)cccc1C 429821596 RENVOHWFNKHYJW-OAHLLOKOSA-N 289.419 3.789 30 20 CHED C=CCC(C)(C)C(=O)NCCCCOc1ccc(C)cc1 429867152 PQIMYYXKRDQFEI-UHFFFAOYSA-N 289.419 3.873 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1ccncc1CC 432354072 SLAVIDUSXOHTRM-ZDUSSCGKSA-N 289.423 3.607 30 20 CHED CN(CCCSCC#N)Cc1ccc(F)c(Cl)c1 433245228 WJGZTYHJRZPAKV-UHFFFAOYSA-N 286.803 3.558 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(F)cc1C 434004009 WNSMYGCIHCRQMG-UHFFFAOYSA-N 283.346 3.963 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)cccc1CC 435742620 WEJDZPNBBDMRPN-RHSMWYFYSA-N 293.838 3.973 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC 438215606 ZFEPSUXWDUJTBD-VXGBXAGGSA-N 289.379 3.513 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCN(C)c2ccccc2C1 442684628 XVLFSQRBNVWNQN-OAHLLOKOSA-N 291.398 3.571 30 20 CHED CCc1cccc2c(CCN[C@@H]3CC[C@H](C#N)C3)c[nH]c12 442774545 ANXSPZJVQCIHRI-XJKSGUPXSA-N 281.403 3.555 30 20 CHED COC(=O)c1cccnc1S[C@H](C)c1cccc(C#N)c1 442916079 UUXGJAZEAJIYBY-LLVKDONJSA-N 298.367 3.593 30 20 CHED C[C@H]1CCC[C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)n1 443522293 YKWPBNDBAIOGOX-MNOVXSKESA-N 297.324 3.987 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc(NC(C)=O)c1 449080787 ZESFHJBTPCYBAS-CQSZACIVSA-N 274.408 3.870 30 20 CHED C=CCCN(C)C(=O)[C@H]1CCC[C@H]1c1ccccc1 451059233 IEOPZVPRJGHTGN-HOTGVXAUSA-N 257.377 3.605 30 20 CHED C=CC(C)(C)C(=O)NCc1cccc(SCC)c1 452113171 ZQJMYNNJVLBPED-UHFFFAOYSA-N 263.406 3.627 30 20 CHED C=CC(C)(C)CNC(=O)CC1CC(c2ccccc2)C1 452776525 RCOUICVMAQOFJA-UHFFFAOYSA-N 271.404 3.899 30 20 CHED C[C@H](NC(=O)N[C@@H](C)C1CCCCC1)c1ccc(C#N)cc1 465669563 USZUMMZMSXIMHW-KBPBESRZSA-N 299.418 3.887 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ncoc1-c1ccc(C)cc1 466538916 FFVBHGOOIUPUIN-CQSZACIVSA-N 284.359 3.735 30 20 CHED C=CCCN(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 467367873 DTRUJCWWOQNJRU-UHFFFAOYSA-N 262.353 3.726 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cccc(OCCN(C)C)c1 467412776 UJMCNYBRKWUZSQ-WBVHZDCISA-N 290.451 3.632 30 20 CHED C=CCCC(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C 468145427 MTHPQRPUSPRXFF-INIZCTEOSA-N 263.356 3.947 30 20 CHED CCc1ccc(CN(C)Cc2cc(F)ccc2C#N)cc1 469131075 WUYRSBAGVKIESZ-UHFFFAOYSA-N 282.362 3.892 30 20 CHED C=C(C)COc1cccc(NC(=O)CC(C)(F)F)c1 469323435 POLVDAUWYMRXTC-UHFFFAOYSA-N 269.291 3.625 30 20 CHED C=CCCC1(C(=O)NCCc2ccccc2Cl)CC1 475316455 HTWPRTPQVOJDTE-UHFFFAOYSA-N 277.795 3.745 30 20 CHED C=CCCCC(=O)Nc1ccnn1[C@@H](C)CC(C)C 481767843 YWEYXGMWTVDKEB-ZDUSSCGKSA-N 263.385 3.785 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCC2(CCCCC2)O1 481861911 DVYGKOAEBIHWOR-GDBMZVCRSA-N 279.424 3.587 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)C1CCC(c2ccccc2)CC1 484897825 AHLJZIHHTATVKW-LADRWXRNSA-N 296.414 3.769 30 20 CHED COc1ccc(C#N)cc1NCc1cc(F)cc(Cl)c1 485737853 YTDGEMIOVVENAK-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1CCCCC 487683957 FJXICCFJBASRJF-KBPBESRZSA-N 252.402 3.705 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1cnc(-c2ccccc2)cn1 487732362 PBMYDMUWFYHIHJ-CRAIPNDOSA-N 295.386 3.537 30 20 CHED Cc1[nH]c(=N[C@H]2CC(C)(C)c3ccccc32)ccc1C#N 488115037 LVRYWCBEEJSDGN-INIZCTEOSA-N 277.371 3.518 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)c1cccc(C)c1 489720443 XJNKGMRVDCFBKG-AWEZNQCLSA-N 259.393 3.817 30 20 CHED C#C[C@H](N[C@@H](C)C1CCOCC1)c1ccc(Cl)cc1F 491473265 BZNDJJKIBILIRA-ZBEGNZNMSA-N 295.785 3.558 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccccc1N1CCCCCC1 491727016 GYLMVQYOOTWAJK-HNNXBMFYSA-N 299.418 3.552 30 20 CHED C#C[C@@H](CC)NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 491754962 WVNONAWUYQONIJ-JSGCOSHPSA-N 284.359 3.547 30 20 CHED C=C(C)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 497201594 VVKMERWZDKWPMO-UHFFFAOYSA-N 286.331 3.863 30 20 CHED CN(CC(C)(C)C#N)C(=O)C(C)(C)c1ccc(Cl)cc1 497326665 YBELTMKREADNIS-UHFFFAOYSA-N 292.810 3.626 30 20 CHED C=CCn1c(SCC(F)F)nc2ccccc21 499022743 MRNWYTLLBGMCLO-UHFFFAOYSA-N 254.305 3.580 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(C(=O)OC)c1 502316498 VKMNMRXLWKVPTR-UHFFFAOYSA-N 295.382 3.661 30 20 CHED C[C@@H]1C[C@]1(NCCCSCC#N)c1ccc(Cl)cc1 503428725 HVNQQJZOQZRLTM-IUODEOHRSA-N 294.851 3.812 30 20 CHED CC(C)(C#N)C(=O)NCc1ccc(Oc2ccccc2)cc1 504918572 KEFNFKIXRNYVSV-UHFFFAOYSA-N 294.354 3.645 30 20 CHED N#C[C@H](NC(=O)C1=CCCC1)c1c(Cl)cccc1Cl 505480924 PJLZXRAAAQZTHL-LBPRGKRZSA-N 295.169 3.785 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc(OC)cc2)n1 508633883 CUABBCXOIJZILB-YRNVUSSQSA-N 270.332 3.757 30 20 CHED Cc1c(C#N)cccc1NCc1cccc(O)c1Cl 512280405 WTZHZGKWLPCWCH-UHFFFAOYSA-N 272.735 3.838 30 20 CHED CC(C)C[C@H]1CCCN1c1ncc(C#N)cc1Cl 513626507 YYBUCGBCOKHJHA-GFCCVEGCSA-N 263.772 3.622 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(CC#N)cc1 527702224 SJSPLLIHYXOEDS-OAHLLOKOSA-N 292.382 3.878 30 20 CHED C=CCCSc1nnc(-c2cccc(Cl)c2)n1C 531761111 SOWQDYUUZCOLLI-UHFFFAOYSA-N 279.796 3.804 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2ccc(F)cc2F)CCCC1 535580072 OCEJYFMJQIPQOI-LBPRGKRZSA-N 293.357 3.857 30 20 CHED CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(C#N)c1 539368522 BMPHQDDEHYOKAX-UHFFFAOYSA-N 298.773 3.874 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1cc(C)ccc1C 540530143 DHEVQCBIBVASSH-HNNXBMFYSA-N 259.393 3.707 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](c1cccs1)C1CC1 540768315 UZCSPTJGHBAEPU-OCCSQVGLSA-N 278.421 3.853 30 20 CHED C=CCSCCN[C@H]1CCc2ccc(Cl)cc21 543754916 MAIGASGVHFENIA-AWEZNQCLSA-N 267.825 3.836 30 20 CHED C=CCOc1ccc(CN[C@]2(C)CCO[C@@H]2C)cc1Cl 544368191 IOWQHAMPCKMTTC-MLGOLLRUSA-N 295.810 3.562 30 20 CHED C[C@H](C#N)CN[C@@H]1CCC[C@H]1CCc1ccccc1 545948488 UQRYILSSBDCUEU-HYVNUMGLSA-N 256.393 3.537 30 20 CHED CCC(CC)(CC)NC(=O)c1ccc(C#N)c(Cl)c1 548305445 RQOQOVRXUWYITH-UHFFFAOYSA-N 278.783 3.910 30 20 CHED C=CCOCC(=O)N(Cc1cccs1)C(C)(C)CCC 549330604 HCEQQEMXEWSJPZ-UHFFFAOYSA-N 295.448 3.858 30 20 CHED N#CC1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 553543871 PSGFDLMDARJVCL-UHFFFAOYSA-N 286.118 3.617 30 20 CHED N#CCC[C@@H](C#N)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 554432803 IHGDDLYKMLSBNZ-KSSFIOAISA-N 297.377 3.795 30 20 CHED C=CCCCCS(=O)(=O)Cc1c(C)cccc1Cl 556906977 LTAJQSSLZXTDQF-UHFFFAOYSA-N 286.824 3.920 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCN[C@H]1CCc2ccc(C#N)cc21 558503771 CFMFZGKENOTLSV-CCKFTAQKSA-N 298.430 3.730 30 20 CHED Cc1cc(CSC[C@@H]2CCCCO2)ccc1C#N 562497760 UWNXLPDJQSGBGJ-HNNXBMFYSA-N 261.390 3.669 30 20 CHED CC(C)CC1(CN[C@@H]2CCc3ccc(C#N)cc32)CC1 569413545 KVAPGYDPGYWZKU-QGZVFWFLSA-N 268.404 3.961 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1c1nccc(C#N)c1Cl 573870888 MLBWTCGLHDYTJV-WFASDCNBSA-N 297.789 3.989 30 20 CHED CC(C)CC1(C)CCN(c2cccnc2C#N)CC1 574968117 AFMKMBUBDDTACC-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C[C@@]1(CNC(=O)c2cscc2C#N)C[C@H]1c1ccccc1 576970588 LOGLYFMUEGVRHF-RDJZCZTQSA-N 296.395 3.543 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)c1nccc(C)c1C#N 577772617 CQHXHIPJEOFFQG-KRWDZBQOSA-N 295.386 3.858 30 20 CHED Cc1cccc([C@H]2CCCCN2c2ccnc(C#N)n2)c1C 579613543 SSPVPLJVRHSSOE-MRXNPFEDSA-N 292.386 3.697 30 20 CHED Cc1ccccc1CN(Cc1ccccn1)CC1(C#N)CC1 581373372 TTZVNNWZJFNPRL-UHFFFAOYSA-N 291.398 3.696 30 20 CHED CC1(Cc2noc(Cc3c(F)cccc3C#N)n2)CCCC1 581910831 SGPFZEBKFWCJNO-UHFFFAOYSA-N 299.349 3.794 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1cc(C)nc(C#N)c1 588033008 BKVBFYVCJRLORT-ZROIWOOFSA-N 277.371 3.801 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1cccc(C#N)c1 588394331 HNLLLCMHMAEFDR-VURMDHGXSA-N 265.287 3.902 30 20 CHED CC(C)[C@H](CNc1cccnc1C#N)c1ccccc1 589560575 JWACIZYOPTYVKH-HNNXBMFYSA-N 265.360 3.805 30 20 CHED C[C@H](C[C@H]1CCOC1)Nc1ccc(C#N)c(C(F)(F)F)c1 589584786 OSRDKQCDHUTKDG-GHMZBOCLSA-N 298.308 3.804 30 20 CHED Cc1cccc(Cl)c1CN1CCC[C@@](C)(C#N)C1 590715615 VWAYCOYUDAEXAJ-HNNXBMFYSA-N 262.784 3.774 30 20 CHED CC1CCC(CC(=O)N2CCC(CCC#N)CC2)CC1 592820064 JEUVWELUFXKUNP-UHFFFAOYSA-N 276.424 3.745 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 593479884 GYOAKHVFSJFWAP-UXLLHSPISA-N 284.403 3.844 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCC1=CCCCC1 593940006 CMLICDSQKDLUOH-OAHLLOKOSA-N 296.414 3.744 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C(C)(C)C 593976295 UAYUZWOJIPQDEK-YOEHRIQHSA-N 298.430 3.774 30 20 CHED C[C@H](C#N)N(Cc1ccccc1C(F)(F)F)C1CC1 595710454 RPXKADMANMAGIG-SNVBAGLBSA-N 268.282 3.582 30 20 CHED N#CCc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 595785338 DPGRSWNQPTZAEL-RTBURBONSA-N 298.430 3.534 30 20 CHED CCc1nc(C#N)cc(N2CC(C)(C)[C@@H]2c2cccs2)n1 596002765 JQXNDHVCJAUTRY-HNNXBMFYSA-N 298.415 3.560 30 20 CHED C=CCCSCCNC(=O)Nc1cccc2[nH]ccc12 596714769 XDKDCLIKWSNRQE-UHFFFAOYSA-N 289.404 3.599 30 20 CHED N#CC1(c2ccc(CN3CC[C@H]4CCC[C@@H]43)cc2)CC1 597093166 YGQJRAXRVWLGQJ-WBVHZDCISA-N 266.388 3.616 30 20 CHED Cc1cccc2c1CN(C(=O)CC1(C#N)CCCCC1)CC2 597569385 YMDSVLWAEOXSCW-UHFFFAOYSA-N 296.414 3.744 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(-c2ccccc2)cc1)C1CC1 598123563 ONFAPJDDCYLVSA-CQSZACIVSA-N 290.366 3.870 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc3occc3c2)C1 599905644 LHUSYQGXLUSNHA-INIZCTEOSA-N 283.331 3.590 30 20 CHED C[C@@H](N[C@H]1CCCc2ncccc21)c1ccc(C#N)cc1 601264850 ILAOKXGJUOHHTF-ACJLOTCBSA-N 277.371 3.681 30 20 CHED C[C@@H](CCC#N)CN1CC(c2cccc(Cl)c2)C1 602684468 YPXBYHQRYWPEFC-LBPRGKRZSA-N 262.784 3.679 30 20 CHED CCN(CCOc1cccc(C#N)c1)CCc1ccccc1 603852279 NSKYUYVMAUZUJS-UHFFFAOYSA-N 294.398 3.502 30 20 CHED C[C@H]1CC(NC(=O)N[C@H](C)c2cccc(C#N)c2)C[C@H](C)C1 610354114 VYEBCFIHCOBVNB-MGPQQGTHSA-N 299.418 3.743 30 20 CHED C[C@H](c1cccc(O)c1)N(C)c1ncc(C#N)cc1Cl 610431893 UMLRSAIUSRCZOW-SNVBAGLBSA-N 287.750 3.510 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2[C@H]3CCC[C@H]23)cc1 610522680 IAESITQPQMNCKB-JYJNAYRXSA-N 296.414 3.711 30 20 CHED CCC(CC)[C@H](C)C(=O)N(C)c1ccc(C#N)cc1F 611185388 VHISQJIFPGVWAF-NSHDSACASA-N 276.355 3.732 30 20 CHED C[C@@H]1C[C@H](CC(=O)N2CCC[C@](C)(C#N)C2)CC(C)(C)C1 612242354 NPOGSCSPPSKTDB-IIDMSEBBSA-N 290.451 3.991 30 20 CHED CC(C)(CC(F)(F)F)Nc1ccc(Cl)c(C#N)n1 614830630 YXMACMKUHVZEPV-UHFFFAOYSA-N 277.677 3.750 30 20 CHED N#C[C@]1(F)CCN(Cc2ccc(-c3ccccc3)cc2)C1 615639026 KNYMDDUZJICPCK-GOSISDBHSA-N 280.346 3.791 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC[C@@H](C2CCCCC2)C1)OCC 618184732 DWMHBUOTZFLHSK-IAGOWNOFSA-N 293.451 3.787 30 20 CHED CC[C@H](NC[C@@H]1Cc2ccccc21)c1ccc(C#N)cc1 618567905 IIYYXRKMBUMUFR-HKUYNNGSSA-N 276.383 3.939 30 20 CHED CCC[C@@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)C(C)C 618790252 ZATPSIZSKRDINJ-WBVHZDCISA-N 284.403 3.734 30 20 CHED C[C@H](CCc1cccc(C(F)(F)F)c1)NCC1(C#N)CC1 619535180 AEOXYRMWXAKFBQ-GFCCVEGCSA-N 296.336 3.920 30 20 CHED C=CCC[C@H](NC(=O)c1cnn(C2CC2)c1)c1ccccc1 626216137 FZEGSLLAEKKJJA-KRWDZBQOSA-N 295.386 3.655 30 20 CHED C=CCN(C(=O)c1cc(Cl)cn1C)c1ccccc1 647741893 OGNDNVSGXYWGRG-UHFFFAOYSA-N 274.751 3.511 30 20 CHED C=CCCCC[C@@H](C)NC[C@H](c1ccnn1C)C(C)C 648540929 TZTBMDPJLOVCFS-CVEARBPZSA-N 277.456 3.884 30 20 CHED C=CCCC(C)(C)NCc1cc(F)c(OC)cc1OC 657806612 OGRRADNYEOGRBG-UHFFFAOYSA-N 281.371 3.677 30 20 CHED C=CCNC(=O)[C@H](CCC)c1ccc(Cl)cc1 665112628 LHPFRGLTCKGPJA-CYBMUJFWSA-N 251.757 3.526 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(C)cc2F)C1 665172323 FVVCPDCVQPMKCZ-ZDUSSCGKSA-N 276.355 3.954 30 20 CHED C=C[C@@](C)(O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 667674815 QTNRRRNLMXJPHE-BLLLJJGKSA-N 293.432 3.761 30 20 CHED C=CCCC(C)(C)NCc1ccc(O)c(OCC)c1 668777844 AOXNHTCBWHMYLY-UHFFFAOYSA-N 263.381 3.625 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1ccsc1 669876684 LOHMYBQHJVNNME-NWDGAFQWSA-N 266.410 3.853 30 20 CHED C=CCN(Cc1ccccc1)Cc1nn(C)c2ccccc12 678153810 GXSYUTAGKNYLLQ-UHFFFAOYSA-N 291.398 3.762 30 20 CHED C=CCN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1 678578412 RGWYFKDYRVIVDT-UHFFFAOYSA-N 274.751 3.612 30 20 CHED CC#CCCNC(=O)c1sc2cc(F)ccc2c1Cl 680456606 HPPBUTIOABCNMV-UHFFFAOYSA-N 295.766 3.837 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCc2ccc(C)cc21 681160949 TZRQQGGZKVCYIY-INIZCTEOSA-N 272.392 3.638 30 20 CHED C[C@@H](Cc1cccc(F)c1)Nc1cc(F)cc(C#N)c1 718620041 VHLHTWXFBFDKGJ-NSHDSACASA-N 272.298 3.880 30 20 CHED N#Cc1cc(F)cc(NC(=O)Cc2ccccc2Cl)c1 720285978 YKOKGEDBKOGOQK-UHFFFAOYSA-N 288.709 3.532 30 20 CHED C#Cc1cccc(NC(=S)NCCc2cccc(C)c2)c1 726487749 RUNCXRHATLDETH-UHFFFAOYSA-N 294.423 3.505 30 20 CHED CC(C)n1cc(C=NNc2cccc(C(F)(F)F)c2)cn1 732711004 YDWXVQLXLMHPDP-UHFFFAOYSA-N 296.296 3.929 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)c2c(C)noc2C)c1O 733749977 HNQPQFPCPRQTPV-HLGUWXJESA-N 288.347 3.576 30 20 CHED C=CC[C@@H](NC(=O)CCCc1ccccc1)c1ccncc1 734234558 QQRCFOICKLUUBR-GOSISDBHSA-N 294.398 3.838 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccco1 734302820 QFYAPJRIRXLNRK-UHFFFAOYSA-N 254.211 3.533 30 20 CHED CCCCCCCC(=O)N1CCS[C@H](C)[C@H]1C 735643563 DEEONXKSOSRPQJ-CHWSQXEVSA-N 257.443 3.699 30 20 CHED Cn1ccnc1C(=O)/C=C\c1ccc(-c2ccccc2F)o1 735791514 QDLPSLUDWSNIAT-VURMDHGXSA-N 296.301 3.715 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1Cl 741470476 CBDRLARDVVVAQG-ALCCZGGFSA-N 288.730 3.950 30 20 CHED C#CCCN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 743476561 LIXJVAPGPASSKP-HNNXBMFYSA-N 292.382 3.613 30 20 CHED CCCCCCCOC(=O)[C@@H](C)Cc1c(C)nn(C)c1C 744047754 XUXXRYRQUSNJNH-ZDUSSCGKSA-N 294.439 3.729 30 20 CHED C#C[C@@H](C)OC(=O)c1sc2cc(F)ccc2c1Cl 744179104 XLHHLVYCZUARBO-SSDOTTSWSA-N 282.723 3.872 30 20 CHED CC#CCOC(=O)C1(c2cccc(F)c2)CCCCC1 744855374 AERGDXYUKXOFDJ-UHFFFAOYSA-N 274.335 3.594 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cnn(C(C)C)c1 746680110 XTNITKHVHOFDQC-UHFFFAOYSA-N 293.374 3.848 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)/C=C\c1ccccc1C#N 748764807 NMJRMCVBPPWRBH-IBSYWUHOSA-N 282.387 3.609 30 20 CHED COc1ccc(C(=O)OCc2ccc(C#N)cc2C)c(C)c1 748907103 SVYVVLXDEMUWIU-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CCCc1ccc(C(=O)N(CCC#N)CC(C)C)cc1 751374962 VNNBNICZVUCKJH-UHFFFAOYSA-N 272.392 3.651 30 20 CHED CC[C@H](C#N)OC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 753428980 FCNSZMDBTGPRDQ-YNEHKIRRSA-N 251.370 3.684 30 20 CHED Oc1ccc(C=NNc2ccc(Cl)cc2)cc1F 755462080 NAKXRTQJJBWVOX-UHFFFAOYSA-N 264.687 3.631 30 20 CHED CC(=NNc1nc(C(F)(F)F)cs1)c1ccccc1 755906498 ZTLFNOPRSGMHEL-UHFFFAOYSA-N 285.294 3.998 30 20 CHED C=CCSCCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21 756684537 YMAZZUATYVUWKJ-JQWIXIFHSA-N 281.396 3.588 30 20 CHED O=C(/C=C/c1c(F)cccc1F)c1cc(F)cc(F)c1O 757471774 DTJODPOBOCYFQI-SNAWJCMRSA-N 296.219 3.845 30 20 CHED CC1(C)CCC/C(=C\c2ccc3c(c2)OCCO3)C1=O 757535396 SGGBPIBLPSRFAO-JLHYYAGUSA-N 272.344 3.620 30 20 CHED C#CC[C@@H](NC(=O)C[C@H](C)CC(C)C)c1ccccc1 757594307 BOWAETPPMRHAND-NVXWUHKLSA-N 271.404 3.940 30 20 CHED C#CCCCC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 757871146 KOCXSQUUNVOLQW-LSDHHAIUSA-N 263.425 3.759 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(Cl)cs2)C1 758887694 UDQHINZECIAYQW-NOZJJQNGSA-N 282.796 3.604 30 20 CHED CCc1ccc(C=NNc2c(F)cccc2F)o1 760258840 OOVJIMYYLKLIFH-UHFFFAOYSA-N 250.248 3.566 30 20 CHED C#CCCCCCOC(=O)Cc1c[nH]c2c(C)cccc12 760276809 ROMBQNGOYYULKR-UHFFFAOYSA-N 283.371 3.756 30 20 CHED N#Cc1ccc(CNCc2cnc(C3CCC3)s2)cc1 760656865 MVOPKKHWZUGLCM-UHFFFAOYSA-N 283.400 3.572 30 20 CHED C(=NNc1ncnc2ccsc12)[C@@H]1C[C@H]2CC[C@H]1C2 762433800 IXUJCIIJYZMVEF-DCAQKATOSA-N 272.377 3.525 30 20 CHED CCC1(CC)C(=NNc2cccc([N+](=O)[O-])c2)C[C@H]1OC 762605391 VEKZDMRBAQEPAE-CQSZACIVSA-N 291.351 3.588 30 20 CHED CCCCCCCCCOC(=O)c1ccnc(O)c1 762848408 IYUJLNYNJVDIRP-UHFFFAOYSA-N 265.353 3.695 30 20 CHED CCn1nccc1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 763291045 UOYQUAYNAXIBQG-DSQDWWTGSA-N 278.355 3.603 30 20 CHED CC#CCCCC(=O)Oc1ccc(Br)cc1C 767115324 WJWJTTNGTJRQTB-UHFFFAOYSA-N 295.176 3.857 30 20 CHED N#Cc1ccc(F)c(CNC[C@@H]2C[C@H]2c2ccccc2)c1 767374626 VTBRETFUAJBOTG-RDJZCZTQSA-N 280.346 3.591 30 20 CHED COc1ccc(NCc2ccc(C#N)c(C)c2)c(C)c1 767685741 JJSGRQGMWZQRMS-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CC[C@H](C#N)Oc1cccc(CNC2CC(C(F)F)C2)c1 768691650 DPIJQBNCXROYPS-JXQTWKCFSA-N 294.345 3.501 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cn(C)nc1C(C)(C)C 769611110 VWTYFCAHNIFWQC-SREVYHEPSA-N 288.416 3.984 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1C 769830966 TVUJANZVLFMOTE-UHFFFAOYSA-N 287.294 3.878 30 20 CHED C[C@@H]1CCC[C@@H](COC(=O)c2ccc(C#N)s2)C1 771001713 RZQSVTPDQMYMJS-GHMZBOCLSA-N 263.362 3.603 30 20 CHED C=CCC[C@@H](NC(=S)NCC(C)C)c1ccccc1 771849294 DWQHEWVTAQEDBQ-OAHLLOKOSA-N 276.449 3.814 30 20 CHED C[C@@H](C(=O)OCCC(C)(C)C#N)c1cn(C)c2ccccc12 772855670 WEQRCDXUYUGEIT-CYBMUJFWSA-N 298.386 3.765 30 20 CHED Cn1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)n1 773143932 GSSBXJTVPQYJEZ-QXMHVHEDSA-N 288.350 3.983 30 20 CHED COc1cccc(NCc2cn3ccccc3c2C#N)c1F 773376094 ROSCFGRCQIUWQX-UHFFFAOYSA-N 295.317 3.571 30 20 CHED C=C(C)CCN1CCCC[C@H]1[C@H](O)c1ccccc1 775623364 JBQSACFEALLAQZ-DLBZAZTESA-N 259.393 3.541 30 20 CHED N#CCc1ccc(COC(=O)c2cc3ccsc3[nH]2)cc1 776114631 QLMIZNGKMMFGCS-UHFFFAOYSA-N 296.351 3.652 30 20 CHED CC(=NNc1cccc(C)c1)c1ccc(C#N)c(F)c1 776758651 UXCYXSYEMWXQPL-UHFFFAOYSA-N 267.307 3.842 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)CCSC)c1ccccc1 777680188 IPZMJAGWJYJAQA-ZFWWWQNUSA-N 277.433 3.604 30 20 CHED C[C@@H](Cc1ccccc1)n1cccc1C(=O)OC(C)(C)C#N 779224972 IBPOBFGIBPORRG-AWEZNQCLSA-N 296.370 3.751 30 20 CHED COc1cccc(NN=CCCCCOc2ccccc2)n1 779820020 AUTKUDYQPDCNJC-UHFFFAOYSA-N 299.374 3.737 30 20 CHED C#CCCCCCC(=O)N1CCc2c([nH]c3ccccc23)C1 779945661 GEGNJGHADOVDML-UHFFFAOYSA-N 294.398 3.636 30 20 CHED C#CCCCCCC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 779946561 FLWDHKBTVAHVMY-OAGGEKHMSA-N 261.409 3.750 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1cc(F)c(F)c(F)c1 780230366 OCUJGFACNZYNLC-UHFFFAOYSA-N 292.260 3.572 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1nc(C2CC2)cs1 781485296 XNROBCOLEKELPS-LLVKDONJSA-N 277.389 3.818 30 20 CHED C[C@@H](OC(=O)c1ccc(N(C)C)cc1)c1cccc(C#N)c1 782021036 FPUYONRSOOEQGP-CYBMUJFWSA-N 294.354 3.542 30 20 CHED CCCc1ccc(N)c(C(=O)OCCCC(C)(C)C#N)c1 782955436 IREYAXRSFWCORO-UHFFFAOYSA-N 288.391 3.708 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1cc(F)ccc1F 785097769 XEOCAPBWBYYNOC-SECBINFHSA-N 267.275 3.509 30 20 CHED Clc1cccc(C2CC(=NOC[C@@H]3CCOC3)C2)c1 788035945 CQDRFVRQFRMOSX-JTDNENJMSA-N 279.767 3.627 30 20 CHED C#CCC1(C(=O)Nc2ccc(F)c(F)c2)CCCCC1 788141044 DVQDHSPQRIZXRR-UHFFFAOYSA-N 277.314 3.877 30 20 CHED C#CCC1(C(=O)N[C@H](C)c2cccc(C#N)c2)CCCCC1 788228594 KCGXBDBBESUUPT-OAHLLOKOSA-N 294.398 3.709 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(CC(C)C)cc2)n(C)n1 789160173 UGTHUASVYDYSEB-MDZDMXLPSA-N 282.387 3.823 30 20 CHED CC[C@@H](C)NN=C(C)c1cc2cccc(OC)c2o1 790190228 UCSKNOOVPLADRM-SNVBAGLBSA-N 260.337 3.554 30 20 CHED C=CCCCC(=O)OCc1ncc(C(C)(C)C)s1 790892680 QEXFZPVRJKHHHY-UHFFFAOYSA-N 267.394 3.840 30 20 CHED Fc1ccc(C(C[C@H]2CCOC2)=NOC/C=C\Cl)cc1 793054950 IMWMIYHJQXKEQM-QFFDGMAWSA-N 297.757 3.726 30 20 CHED CC[C@H](NN=C1CCCC[C@H](c2ccccc2)C1)C(=O)O 793058631 XHLHDYWOAFWDNR-HOCLYGCPSA-N 288.391 3.543 30 20 CHED CSc1ccc(C=NNc2cccc(Cl)n2)cc1 793174092 IKWZWLCIEDGKCN-UHFFFAOYSA-N 277.780 3.903 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2ccc(Cl)cc2)[C@H]1C 794446017 UPWVOTNCWWLTBW-QWRGUYRKSA-N 294.782 3.717 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNCc2ccccc2N(C)C)o1 794956318 HCUNFNQPWOLATI-BBRMVZONSA-N 297.402 3.593 30 20 CHED CC(=NNc1cccc(F)n1)c1nc2ccccc2s1 795006438 IINYFJATFACKOD-UHFFFAOYSA-N 286.335 3.667 30 20 CHED C#CCCCCN[C@@H]1CCCCc2cc(C#N)ccc21 795805610 NORKZWIESMVBSP-GOSISDBHSA-N 266.388 3.719 30 20 CHED CCCCCCCOC(=O)Cc1c(C)nn(CC)c1C 795808085 DVEOIJWRGORYON-UHFFFAOYSA-N 280.412 3.576 30 20 CHED Cc1ccnc(COC(=O)C[C@@H](CC#N)c2ccccc2)c1 795982886 IZOZLFMODBPQLU-MRXNPFEDSA-N 294.354 3.521 30 20 CHED CCc1ccc2occ(C(=O)O[C@@H](C#N)C(C)C)c2c1 796943766 OZVMIUWHEBZOIY-HNNXBMFYSA-N 271.316 3.700 30 20 CHED CC(C)COc1cccc(COC(=O)c2ccc(C#N)o2)c1 797250927 DOWXDPDBLPBUNK-UHFFFAOYSA-N 299.326 3.543 30 20 CHED Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc(Cl)n1 797604033 FBYZOTQMCLETAC-INIZCTEOSA-N 297.789 3.692 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798476041 VDENNJJKALJZLQ-HZMBPMFUSA-N 298.308 3.617 30 20 CHED Clc1ccc(CNN=C2CCCc3cccnc32)cc1 799111578 UAYIXPBWWWJVMJ-UHFFFAOYSA-N 285.778 3.565 30 20 CHED CC(C)C[C@@H](C)C=NNc1ccnc(Br)c1 799113017 DZLXFVQCZJVQLE-SNVBAGLBSA-N 284.201 3.924 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C2CCC23CCC3)o1 799877979 MQCNBALZXRVPKV-UHFFFAOYSA-N 272.352 3.576 30 20 CHED CC(C)c1ccc(CN(CCO[C@H](C)C#N)C2CC2)cc1 801909984 JOXMDGAMANXCIK-OAHLLOKOSA-N 286.419 3.703 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)CCCCCC#N)[nH]c12 805885368 WXMGSCYNEHJIPY-ZDUSSCGKSA-N 294.358 3.522 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C/c2cn(C(C)C)nn2)c1 806574812 XRLVFLFXULWXOG-CMDGGOBGSA-N 297.402 3.954 30 20 CHED C/C(C=NNCC1CCCC1)=C/c1cccc([N+](=O)[O-])c1 808006949 IVGODFAARIWBQT-QGLZRWDMSA-N 287.363 3.764 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C(/C)C(C)(C)C)cc1 809259459 SPFLTYNUOJHCRC-KVNDZABWSA-N 284.403 3.922 30 20 CHED C#CCCc1noc(-c2coc3cc(C)c(C)cc23)n1 809398171 SEIFETIVDYVYPK-UHFFFAOYSA-N 266.300 3.665 30 20 CHED C#Cc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1 809552445 VDTKSYQDNZDDTP-IBGZPJMESA-N 277.367 3.711 30 20 CHED C#Cc1ccc(CN2CCC(C)=C(Br)C2)cc1 809659402 NTIVYLFALKUKDC-UHFFFAOYSA-N 290.204 3.543 30 20 CHED C#Cc1ccc(CN(C)C2CCC(F)(F)CC2)cc1 809782105 IMUVUMFTCUUSMZ-UHFFFAOYSA-N 263.331 3.678 30 20 CHED C=CCN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 809982719 XJYCWIAVTCKUKV-UHFFFAOYSA-N 275.135 3.519 30 20 CHED C=CCCCCCCCNC(=O)c1cnccc1C 811590185 RXHWXYCFTNPQCN-UHFFFAOYSA-N 260.381 3.646 30 20 CHED Cl/C=C/CON=C1Cc2ccc(Cl)cc2C1 811671890 MGLVLULWFCNITA-FMQXXHRCSA-N 256.132 3.564 30 20 CHED C#C[C@H](NC(=O)NCCC1(C)CC1)c1ccc(Cl)cc1 811914016 YWUJQNMRQLZERS-AWEZNQCLSA-N 290.794 3.504 30 20 CHED C=CC[C@H](CC)NC(=O)N(C[C@@H]1CCC[C@H](C)C1)OC 812210162 JVIXUHYNULBCNU-ZNMIVQPWSA-N 282.428 3.740 30 20 CHED OC1(c2cccc(F)c2)CCC(=NOC2CCC2)CC1 812235002 GVGUEEFAMGTARP-UHFFFAOYSA-N 277.339 3.512 30 20 CHED C=CCC(C)(C)COC(=O)Cc1cc2ccccc2nc1O 814003469 HTXZULJTSZEOBH-UHFFFAOYSA-N 299.370 3.628 30 20 CHED COc1cccc(NN=C(C)c2ccc(Cl)c(N)c2)c1 814778376 BYGMRPRCPPSJGN-UHFFFAOYSA-N 289.766 3.767 30 20 CHED CCC(=NNc1cc(C)nc(C)n1)c1ccc(F)cc1F 814807475 XVDHGFXXSRDALP-UHFFFAOYSA-N 290.317 3.598 30 20 CHED COc1ccc(NN=C(C)CCCCCCC(=O)O)cc1 814885125 NSECBUOQGKXWGM-UHFFFAOYSA-N 292.379 3.908 30 20 CHED C[C@@H]1C[C@@H](C(=O)O)CCC1=NN1CCC(C(C)(C)C)CC1 814913119 HIRWVZFYWRIUAX-OLZOCXBDSA-N 294.439 3.621 30 20 CHED C=C[C@@H]1CCCCN1C[C@H](O)c1cccc2ccccc12 815104256 FWWLQSVZTXBONG-APWZRJJASA-N 281.399 3.914 30 20 CHED CCCCCCCCNC(=O)c1oc(CC)nc1C 815873144 XONIXICKRQGCFJ-UHFFFAOYSA-N 266.385 3.636 30 20 CHED Cc1ccc2nc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc2c1 815993257 MCJIDNGPHPLSAV-LBPRGKRZSA-N 282.343 3.638 30 20 CHED CCCCCCCCCCC(=O)N1CCO[C@@H]2C[C@@H]21 816900564 QEDCLNBXFUYWCD-LSDHHAIUSA-N 267.413 3.517 30 20 CHED Cc1ccc(NN=C2CCc3cccnc3CC2)cc1 817321703 QCXLCENKGYPBLE-UHFFFAOYSA-N 265.360 3.737 30 20 CHED C#CCCCCCOC(=O)Cc1nsc2ccccc12 820533152 IWVQBAGBMLMRDP-UHFFFAOYSA-N 287.384 3.576 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(C3CC3)nc2C)n1 821619517 AYVVYVZORVMHDF-ZDUSSCGKSA-N 297.383 3.522 30 20 CHED C=CCCCCCCNCc1cc(F)ncc1F 824376591 KTANXIDCUMLGMC-UHFFFAOYSA-N 254.324 3.586 30 20 CHED C=CCC1(CNCc2cc(F)ncc2F)CCCC1 825079628 XKINKXKVABWSRP-UHFFFAOYSA-N 266.335 3.586 30 20 CHED C#CCCNC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 827693000 VDYNNTIDTMYEPM-OAHLLOKOSA-N 277.795 3.609 30 20 CHED C#CC[C@H](NCc1cc(C(=O)O)sc1C)c1ccccc1 833360661 NLHRLMFWFAUPRQ-HNNXBMFYSA-N 299.395 3.609 30 20 CHED CC(C)(C)C[C@@H](Sc1ccc(C#N)cc1)C(=O)O 833429083 GZFBISGUUIUBJD-GFCCVEGCSA-N 263.362 3.540 30 20 CHED FC(F)CNN=C1CCC[C@@H]1Cc1ccc(Cl)cc1 834960985 BKYBDJWGRUSNTG-LLVKDONJSA-N 286.753 3.893 30 20 CHED CC(=NN[C@H]1CCOC1(C)C)c1oc2ccccc2c1C 835013607 FHHRRGYXBGQUNG-HNNXBMFYSA-N 286.375 3.622 30 20 CHED C/C=C/COc1cccc(CC(=O)OC2(CC#N)CCC2)c1 835398925 AYZJREAPDQDYGY-NSCUHMNNSA-N 299.370 3.564 30 20 CHED C=CC(C)(C)COC(=O)c1scnc1C(C)C 835722872 YXVXYAYLTUGEMT-UHFFFAOYSA-N 253.367 3.636 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC[C@]1(C)CC1(Cl)Cl 836441567 JIGILVFALWKDPF-ZYHUDNBSSA-N 293.238 3.614 30 20 CHED C=CCN(C(=O)Nc1cccc(OC(C)C)c1)C(C)C 836729639 XBXAEZZWYOZMRQ-UHFFFAOYSA-N 276.380 3.902 30 20 CHED CCc1ccc(N(CC2CC2)C(=O)CC(C)(C)C#N)cc1 836838717 QLROKSOEFZHKKC-UHFFFAOYSA-N 284.403 3.932 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H](CC)c1ccc(OC)cc1 839038053 BCMLTBVWMCGSGR-XJKSGUPXSA-N 274.360 3.534 30 20 CHED C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 839053491 SSJXCDFCWRIHHF-XJKCOSOUSA-N 289.350 3.945 30 20 CHED Cc1c(C(=O)Oc2ccc(C#N)cc2F)ccn1C(C)C 839304815 GSXVCEUZBFALMO-UHFFFAOYSA-N 286.306 3.607 30 20 CHED O=C(C#CC1CC1)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 840509672 JYGSQNGOKQNFCE-ZBFHGGJFSA-N 287.790 3.506 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(F)ccc1O 841894482 PVHCNAWNUBEMPE-KRWDZBQOSA-N 296.345 3.570 30 20 CHED CC(C)Cn1nccc1/C=C1\CCCC(C)(C)C1=O 843269468 NNTVMYCRBCXNEB-JLHYYAGUSA-N 260.381 3.702 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@@H](C)CSc1ccccc1 844687234 XLDUPGOGCWVAEX-LBPRGKRZSA-N 299.386 3.837 30 20 CHED CCc1nocc1/C=C1/Cc2cc(C)cc(C)c2C1=O 848643479 XZFAZABRRCBPJA-JYRVWZFOSA-N 267.328 3.676 30 20 CHED C=C(C)CNc1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 849161087 BJBLWTSRZKYFSC-SNVBAGLBSA-N 293.754 3.851 30 20 CHED C=CCCSCCNC(=S)Nc1cccc(CC)c1 849278236 UOXKUGYGUDNPMK-UHFFFAOYSA-N 294.489 3.845 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1c[nH]c2ccccc12 851212726 ATXWGIVINMYVPG-GFCCVEGCSA-N 284.359 3.582 30 20 CHED C[C@H]1CN(c2nc(C#N)c(Cl)s2)Cc2ccccc21 853090310 KKPYUBSWPIPIDR-VIFPVBQESA-N 289.791 3.792 30 20 CHED Fc1cc(Cl)cc(NN=C2CCC23CCOCC3)c1 853395562 BPXBCNDZLZVBTG-UHFFFAOYSA-N 282.746 3.838 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(-c2coc(C)n2)cc1 858278831 JYOBFAKNFINLCC-UHFFFAOYSA-N 297.358 3.919 30 20 CHED C#CCC1(C(=O)OCc2ncccc2Cl)CCCCC1 859650113 VFDPHWROGSXMES-UHFFFAOYSA-N 291.778 3.752 30 20 CHED C=CCC1(NC[C@H](O)c2cccc(F)c2)CCCCC1 859746358 UMDTWALURTVAPN-INIZCTEOSA-N 277.383 3.728 30 20 CHED CC[C@](C)(C#N)NC(=O)/C=C/c1ccccc1C(F)(F)F 865078909 XHDHYBDJVNOODN-MYSGNRETSA-N 296.292 3.527 30 20 CHED CC(=O)c1cccc(OCCCC(C)(C)C#N)c1F 871717655 ZIRPWWUDFMDIEY-UHFFFAOYSA-N 263.312 3.737 30 20 CHED CC(C)(C)SCCCOc1cccc(OCC#N)c1 871756739 WXYDYDULTMGQRX-UHFFFAOYSA-N 279.405 3.890 30 20 CHED C#CCCCCN[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 877087753 RFRINTZBSKYJLG-AZUAARDMSA-N 296.458 3.748 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnn([C@@H](C)CC)c1C 879740068 IABFSZNOFICJFC-NSHDSACASA-N 263.385 3.703 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(CC(F)(F)F)cs1 880146652 NPTKLPDGDDECFI-UHFFFAOYSA-N 292.326 3.789 30 20 CHED C=CCC(C)(C)CNCc1cnc(CC(F)(F)F)s1 894607034 NUOYPDCBRFQEAO-UHFFFAOYSA-N 292.370 3.940 30 20 CHED C=CCC(F)(F)C(=O)NC(C)(C)c1ccc(F)cc1F 894769706 GJUFZIXZMXJYLC-UHFFFAOYSA-N 289.272 3.528 30 20 CHED N#C[C@H]1CCC[C@H](NCCC2CCC(F)(F)CC2)C1 898031902 QVVQNEYSZYUXCT-KBPBESRZSA-N 270.367 3.874 30 20 CHED CCn1cc(/C=C\C(=O)c2cccc(C3CC3)c2)c(C)n1 899377752 FYYZKWZQTPDFBN-KTKRTIGZSA-N 280.371 3.985 30 20 CHED C=CCn1c(S[C@H](C)OCC)nnc1-c1ccoc1C 901396080 WGJHIIWRHNLMRW-LLVKDONJSA-N 293.392 3.507 30 20 CHED C=C[C@](C)(O)c1cc(-c2ccccc2OC(C)C)no1 901398157 KOBDKYBLAZSSHF-INIZCTEOSA-N 273.332 3.522 30 20 CHED C=CCCC[C@@H](N)c1nc([C@H]2CCc3ccccc32)no1 904602461 PHVMBEASXWJVFO-LSDHHAIUSA-N 283.375 3.504 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1csc(C2CC2)n1 909524105 DOUSVAQICZFIIP-JTQLQIEISA-N 265.378 3.666 30 20 CHED COC(=O)c1cc(N=Cc2ccccc2O)ccc1Cl 912787406 OYBIDUYTYZFBRW-UHFFFAOYSA-N 289.718 3.583 30 20 CHED Cc1ccccc1C=NNc1nc2cc(F)c(F)cc2[nH]1 912825230 MRGBUINAIUYRAL-UHFFFAOYSA-N 286.285 3.596 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C\c1c(F)cccc1F)O2 915988817 IOLPGEJUPXFBKD-VGOFMYFVSA-N 288.249 3.595 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2/N=C\c1ccccc1O 920178149 OONCWBXYWBVLMI-GYXHFJGISA-N 251.329 3.807 30 20 CHED CC(=NNc1cccc(F)c1)c1cc(F)ccc1F 920384046 NLPNOPZHFZSXFU-UHFFFAOYSA-N 264.250 3.940 30 20 CHED C=C(Cl)COC(=O)CCCCOc1cccc(C)c1 920674844 LALMEAAJHJGOGZ-UHFFFAOYSA-N 282.767 3.840 30 20 CHED C=CCCCCCCN[C@H](C)c1cn(C(C)C)nn1 926424441 YRSKNBVTYKPBDO-CQSZACIVSA-N 264.417 3.646 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OC(C)C)cc2C)CC1 929850644 LMDMQARDXFTWHM-UHFFFAOYSA-N 288.391 3.966 30 20 CHED C=CCN(Cc1coc(C(C)(C)C)n1)C(C)(C)C 931017501 QNFMCMMAUNALLU-UHFFFAOYSA-N 250.386 3.759 30 20 CHED CCCC[C@H](C)N(C)C(=O)c1cc(C#N)ccc1C 936056958 OHYGXYFKJIKQCM-ZDUSSCGKSA-N 258.365 3.517 30 20 CHED CC(C)Cn1ncnc1CSCCCCC(C)(C)C#N 1116781700 PUSLORMVSRDUNK-UHFFFAOYSA-N 294.468 3.887 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc(CN3CCCC3)c2)C1 1116825670 RFFHRSJEDCZJAW-DOTOQJQBSA-N 283.419 3.777 30 20 CHED Cc1cc(Cl)nc(C(=O)O[C@@H](C)CC(C)(C)C#N)c1 1123181122 CTUUFBMVWDDVEC-JTQLQIEISA-N 280.755 3.529 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)[C@H](C#N)CCc1ccccc1 1136825334 RBRNVMUQUZMEDY-RYRKJORJSA-N 298.430 3.796 30 20 CHED N#CCc1cccc(N2CCC[C@@H](Cc3ccccc3)C2)n1 1148151550 WTHWBQCXRPSZIW-KRWDZBQOSA-N 291.398 3.607 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNc1cc(C#N)nc(C)n1 1163499234 BOBUHUOUOHUUMW-KGLIPLIRSA-N 272.396 3.675 30 20 CHED C[C@@H]1CC[C@H](NCc2cc(C#N)ccc2Br)C1 1179597476 BYRLKJXUQFESFF-MFKMUULPSA-N 293.208 3.599 30 20 CHED N#Cc1ccc(F)c(NC(=O)NC2CCCCCCC2)c1 1219050025 MOWZTLFFTDPIKR-UHFFFAOYSA-N 289.354 3.932 30 20 CHED C[C@H]1CCCCN(Cc2ccc(Cl)cc2C#N)C1 1232604724 HBGGVILMMVZNHE-LBPRGKRZSA-N 262.784 3.834 30 20 CHED Cc1cc(N=Cc2ccccc2O)ccc1N1CCCC1=O 1318031606 DIDSIZXTTOMEBB-UHFFFAOYSA-N 294.354 3.578 30 20 CHED Cc1ccc(NN=Cc2cnn(C(C)C)c2)cc1Cl 1318751525 ZGNDLLNDESMTJH-UHFFFAOYSA-N 276.771 3.872 30 20 CHED CN(c1cccc(CC#N)n1)C1CCC(C)(C)CC1 1320490619 NWJNDDWPSSVNJN-UHFFFAOYSA-N 257.381 3.553 30 20 CHED Cc1cccc(NC(=O)Nc2ccc(OCC#N)cc2)c1C 1321804972 WYQQSQCFVNYFDR-UHFFFAOYSA-N 295.342 3.850 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)c2ccccc2F)c1 1323857720 PWLFUWJHLPCTGI-MDZDMXLPSA-N 284.286 3.508 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 1324823951 IUCQMDCRECXRKD-QGZVFWFLSA-N 270.420 3.827 30 20 CHED Cn1ccc(NN=C2CCCC[C@H]2C2CCCCC2)n1 1327800600 NWUZMSBIKOJQPW-AWEZNQCLSA-N 274.412 3.959 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1329990208 ZRQQLAXEPNYDCE-GJZGRUSLSA-N 290.382 3.624 30 20 CHED C=CCC(F)(F)c1nnc(COc2cc(C)ccc2C)o1 1330073591 GUYBKHBPQVJEEI-UHFFFAOYSA-N 294.301 3.933 30 20 CHED COCC#CC(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1 1334375758 XVJVKULIBPXURA-SFHVURJKSA-N 299.414 3.513 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 1336416648 MEZMRFCZSDPUEJ-ZDUSSCGKSA-N 293.794 3.676 30 20 CHED CCn1c(N(C)c2ccccc2)nnc1C(C#N)(CC)CC 1340068679 HSILPDPDZRFDPH-UHFFFAOYSA-N 297.406 3.647 30 20 CHED Cc1cc(C)c(/C=C\C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc1C 1344016469 GEQLBQSNJJCVID-OZLAXVTRSA-N 283.371 3.861 30 20 CHED Cc1cccc2c1[C@H](NCc1cccc(OCC#N)c1)CC2 1350955172 HBGIVUWOUBGMIW-GOSISDBHSA-N 292.382 3.675 30 20 CHED C[C@@H](CCC(=O)N[C@@H](C#N)C1CCCC1)c1ccccc1 1354137187 FRRMJKGXFJVMRA-YOEHRIQHSA-N 284.403 3.769 30 20 CHED C=C(C)CCC(=O)Nc1c(Cl)cccc1OC 1355017505 BGXMQKWRYAFYJS-UHFFFAOYSA-N 253.729 3.643 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1F)c1cccnc1 1437696950 PKLDONKPGXEJHQ-UHFFFAOYSA-N 297.333 3.539 30 20 CHED CCC(C#N)(CC)C(=O)OCCc1cccc2ncccc12 1514881344 CAJWOYOCWQCUHV-UHFFFAOYSA-N 296.370 3.650 30 20 CHED C=C(CC)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 1520147073 WRZOTTOUAIQPQO-UKRRQHHQSA-N 261.340 3.544 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(OCC#N)cc1 1520181829 QOQZYYWPHPQMIB-HNNXBMFYSA-N 299.374 3.551 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CCCOc2ccccc21 1544762484 PUCVSVIFWHGPBO-MRXNPFEDSA-N 297.310 3.530 30 20 CHED N#Cc1cccc(N(C(=O)C2=CCCC2)C2CCC2)c1 1587314404 OQLXINAOJUCIBY-UHFFFAOYSA-N 266.344 3.554 30 20 CHED C=C(CCC(=O)O)C(=O)N1CCCCC12CCCCCC2 1588615517 XJUGGJBZFQFUDC-UHFFFAOYSA-N 293.407 3.513 30 20 CHED O=C(/C=C/c1ccoc1C(=O)O)c1csc(Cl)c1 1608287573 CNBLCWGRALZBEW-OWOJBTEDSA-N 282.704 3.589 30 20 CHED COc1cc(CSc2ccc(C#N)c(C)c2)ccn1 1614553016 NQTVFWAHVFDCQJ-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CC(C)CN(CCOC(C)(C)C)c1ccc(C#N)cc1 1616013913 ODZPQKCXOFFNKP-UHFFFAOYSA-N 274.408 3.836 30 20 CHED Cc1nc2c(c(Sc3cccc(F)c3C#N)n1)CCCC2 1640086310 JQSOXEHNSSUFSQ-UHFFFAOYSA-N 299.374 3.826 30 20 CHED CC1(Nc2nccc(Oc3cccc(C#N)c3)n2)CCCC1 1650680707 AVWKNKKOURIIBM-UHFFFAOYSA-N 294.358 3.885 30 20 CHED N#Cc1cncc(NCC2(c3ccccc3)CCCCC2)n1 1651339203 LJEZKXORMXPJRK-UHFFFAOYSA-N 292.386 3.662 30 20 CHED C=C(Cl)CNCc1ccccc1OC1CCCC1 1656578472 AVXHHJXDIHCAEW-UHFFFAOYSA-N 265.784 3.850 30 20 CHED CC(C)CCc1ccc(NC(=O)N2CC(C)(C#N)C2)cc1 1658801986 KADMYUCYJRBRPQ-UHFFFAOYSA-N 285.391 3.653 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCCC2CCCC2)C1 1776156423 IOZUMKVIEROQSE-QGZVFWFLSA-N 279.424 3.700 30 20 CHED COc1cccc2c1CC/C(=C/c1ccccc1)C2=O 36335 QMNLITROQHKLDF-OWBHPGMISA-N 264.324 3.908 30 20 CHED O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F 7717551 JRDDTZKEYLBKIL-QPJJXVBHSA-N 289.237 3.769 30 20 CHED C#Cc1cccc(NCc2ccc([C@H]3C[C@H]3C)o2)c1 19876850 UMGNEKZQBXAOPA-WBMJQRKESA-N 251.329 3.996 30 20 CHED C[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1 26111445 SWZRDBHBYQLAQG-SECBINFHSA-N 290.775 3.764 30 20 CHED N#Cc1ccc(N2CCC[C@@H](C3CCCCC3)C2)nc1 34418064 KZOZWNREVHFQHT-MRXNPFEDSA-N 269.392 3.750 30 20 CHED CN(Cc1cc(C#N)ccc1F)CC1CCCCC1 42340343 KVAYLJNWSKNPJN-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccccc1 42382767 VJGROBTVJWQPNW-CYBMUJFWSA-N 265.312 3.671 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 44809319 WLRLNDSRCBVLFO-CYBMUJFWSA-N 280.327 3.967 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(C#N)cc1 45027219 VJTYJZUDUXCYPS-ZDUSSCGKSA-N 279.343 3.783 30 20 CHED N#Cc1ccc(CCC(=O)NCCC2CCCCC2)cc1 46653225 JGCFULKVMVSXLN-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CC(C)(CNc1ccc(C#N)cn1)c1cccc(Cl)c1 49480222 SCNXUYQSRMDTHQ-UHFFFAOYSA-N 285.778 3.996 30 20 CHED CCOc1ccc(NC(=O)c2cccc(CC#N)c2)c(C)c1 55806382 ZMGBXBMBKJGHOA-UHFFFAOYSA-N 294.354 3.712 30 20 CHED O=C(/C=C/c1cccnc1)c1ccc(OC(F)(F)F)cc1 59270341 NXUMCHJSYKGAFG-FPYGCLRLSA-N 293.244 3.876 30 20 CHED C=C(C)CN(C)CCCOc1ccc(Cl)cc1 59393258 LGPUWPAESRUHAH-UHFFFAOYSA-N 253.773 3.617 30 20 CHED C=CCN(Cc1ccc([N+](=O)[O-])cc1)Cc1cccs1 60942696 RWFRDCNTZLJDET-UHFFFAOYSA-N 288.372 3.845 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1c1cccc(F)c1 65199825 DYJDQTHFZSGVNA-GOEBONIOSA-N 297.289 3.574 30 20 CHED C[C@@H](C#N)Sc1nnc(CCC2CCCCC2)o1 66257513 KXWSUKCQRPLCCR-JTQLQIEISA-N 265.382 3.587 30 20 CHED Cc1ncsc1CN(C)c1ccc(C#N)c(Cl)c1 66741421 VKMFWZUBXPZFHW-UHFFFAOYSA-N 277.780 3.613 30 20 CHED CCCc1ccc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)cc1 67893485 HTTKSCBKIKUIKI-MRXNPFEDSA-N 293.370 3.536 30 20 CHED Cc1ncc(CSCCOc2ccc(C#N)cc2)s1 68952516 UKVHBNQMBXHZNA-UHFFFAOYSA-N 290.413 3.635 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccccc2C#N)CC1 71029248 CHHIARJGYBLOEP-HNNXBMFYSA-N 256.393 3.816 30 20 CHED N#Cc1ccc(SCC(=O)OC2CCCCC2)cc1 75459831 UYKAJOUHDWPJOM-UHFFFAOYSA-N 275.373 3.526 30 20 CHED C[C@@H](Cc1cccs1)N(C)Cc1ccc(C#N)cc1F 80834813 DLVLAXWBUWYQPI-LBPRGKRZSA-N 288.391 3.822 30 20 CHED C[C@H](SCc1ncc(Cl)n1C)c1ccc(C#N)cc1 83633694 BLTGGHRYQHRWBN-JTQLQIEISA-N 291.807 3.940 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)CC#N)c1ccc2ccccc2c1 84599164 KVPHQVLGYDVBHJ-ZIAGYGMSSA-N 280.371 3.704 30 20 CHED N#CCCCC[S@](=O)c1ccc(Cl)c(Cl)c1 88315591 ZGNOREVVILCBJQ-MRXNPFEDSA-N 276.188 3.795 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(CC)s1 90883858 YATFXKFPVWDLOH-GFCCVEGCSA-N 253.411 3.554 30 20 CHED COCCCOc1ccccc1NCC(C)(C)CCC#N 92158143 SKQBDMRHQIFRJK-UHFFFAOYSA-N 290.407 3.844 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccco1 93872110 VWUYCCPAJVRYDW-DLBZAZTESA-N 266.344 3.551 30 20 CHED C=CCCC(=O)N1CC[C@H](C)Sc2ccccc21 102222769 DGAYIKVFHFJKKN-LBPRGKRZSA-N 261.390 3.870 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)n(C(C)C)c2C)c1 103102990 WBIGNYGZAKHDEY-UHFFFAOYSA-N 294.398 3.944 30 20 CHED COc1ccc(N[C@H](C#N)C2CCCCC2)c(OC)c1 115605885 QVDGTQPWBRYXLJ-OAHLLOKOSA-N 274.364 3.588 30 20 CHED C#CCCCCC(=O)NC(C)(C)CCc1ccccc1 120081796 BDCOGYUIIRSCQH-UHFFFAOYSA-N 271.404 3.708 30 20 CHED C#CCCCCC(=O)NC(C)(C)Cc1ccccc1Cl 120098920 OBQFFEBAKQOARH-UHFFFAOYSA-N 291.822 3.971 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](N2CCCC2)C1 121179702 BWDSCVYOPYLBGV-QGZVFWFLSA-N 294.483 3.824 30 20 CHED Clc1ccccc1CON=C1CCC2(CC1)OCCO2 122397574 IXWYAQFKACJNMU-UHFFFAOYSA-N 295.766 3.530 30 20 CHED CC[C@@H](C#N)Sc1nncn1-c1ccc(C)c(Cl)c1 127214830 WOPDSJWWTJKPIG-NSHDSACASA-N 292.795 3.623 30 20 CHED N#Cc1cc(Br)ccc1N1C[C@H]2CCC[C@@H]2C1 130467608 ASNQWLLTMLWBGT-GHMZBOCLSA-N 291.192 3.557 30 20 CHED N#CCC[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 130562875 HZGZRAKHPQBPAJ-QGZVFWFLSA-N 295.342 3.729 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1ccccc1OCC#N 130657248 ZEFIWZUOZGMSIN-CYBMUJFWSA-N 288.391 3.534 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 135120039 OLZBOPJBRCJXIX-SJKOYZFVSA-N 299.374 3.516 30 20 CHED CC(C)(C#N)c1ccccc1CN(CC(F)F)C1CC1 135204207 ZNQYVRJMRJSMCR-UHFFFAOYSA-N 278.346 3.717 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC1(CC(C)C)CCCC1 136276678 NGVFONDQDDIEQN-HNNXBMFYSA-N 264.413 3.649 30 20 CHED C=CCCOC1=C(F)C(F)(F)C(F)(F)C1(F)F 148479698 LEWPTLXFUJDZPB-UHFFFAOYSA-N 264.140 3.680 30 20 CHED C#CCCCCNCc1cc(Cl)cc(Cl)c1O 150732505 BMZWZLSDKTYQJD-UHFFFAOYSA-N 272.175 3.592 30 20 CHED O=C(/C=C/C=C/c1ccccc1)c1ccc(O)cc1O 156625705 CGPOFQXGTXKVFC-KBXRYBNXSA-N 266.296 3.550 30 20 CHED CCCN(CCC)Cc1ccc(O[C@H](C)C#N)cc1 158048922 WXVCLLIWGUOLKQ-CQSZACIVSA-N 260.381 3.599 30 20 CHED CCCCCCCCSc1nnc(CO)n1C1CC1 158858807 QNUJSPIAAPPDHA-UHFFFAOYSA-N 283.441 3.558 30 20 CHED C=CCCC(=O)N1C[C@@H](C)CSc2ccccc21 159522949 QOBCTWBSSYITIA-GFCCVEGCSA-N 261.390 3.728 30 20 CHED N#Cc1cc(NC2CC(c3ccccc3)C2)ccc1[N+](=O)[O-] 166363511 VVQBGNHUODGKHM-UHFFFAOYSA-N 293.326 3.825 30 20 CHED C#Cc1cccc(NC(=O)N2CCc3c(C)cccc3C2)c1 171512965 PDOPZKBWQCGGAT-UHFFFAOYSA-N 290.366 3.567 30 20 CHED C[C@H]1c2ccccc2CCN1CCCC(C)(C)C#N 174852286 FOYPMEIKXBMHMX-AWEZNQCLSA-N 256.393 3.936 30 20 CHED C=CCNc1ccccc1NC(=O)c1ccccc1 174942530 GUWBVKCMGFVYOF-UHFFFAOYSA-N 252.317 3.537 30 20 CHED C=CCCCC(=O)Nc1scc(C2CC2)c1C(=O)OC 177518148 HHTJMQKHECLIPC-UHFFFAOYSA-N 293.388 3.707 30 20 CHED N#Cc1ccc(CN[C@H]2CCCOc3ccccc32)c(F)c1 177859585 LAROZVJQTAKXAI-KRWDZBQOSA-N 296.345 3.701 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1NCCCCC#N 178640956 NZPTWXRSJJLDAL-MLGOLLRUSA-N 260.356 3.733 30 20 CHED Cc1cc(Cl)c(NC(=O)NC[C@H](C)C#N)cc1Cl 178886409 MLWBNHKHNWXORM-SSDOTTSWSA-N 286.162 3.583 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CC=CCC1)c1ccccc1 179502541 ONSUSYKAFNIJSE-ZBFHGGJFSA-N 255.361 3.571 30 20 CHED CC(C)(CNC(=O)NCCCCC#N)C1CCCCC1 179650774 MGYMELDLIHKMHC-UHFFFAOYSA-N 279.428 3.586 30 20 CHED C=C(C)CN(C)C(=O)C1(c2ccc(F)cc2)CCCC1 180378693 IDRKWAAWHNYEBA-UHFFFAOYSA-N 275.367 3.672 30 20 CHED Clc1cccc(C#CCN(Cc2cccnc2)C2CC2)c1 180741653 PTMVRFXYORMDFF-UHFFFAOYSA-N 296.801 3.751 30 20 CHED C#CCCCCNCc1ccc(SC(F)F)cc1 180958276 MIHWWVXJZSVNLG-UHFFFAOYSA-N 269.360 3.894 30 20 CHED Cc1ccc(-c2ccc(C(=O)O[C@@H](C#N)C3CC3)s2)o1 181686268 OIJHKIMXDMTIRB-LBPRGKRZSA-N 287.340 3.776 30 20 CHED N#Cc1ccc(CNC(=O)NCCC2=CCCCCC2)cc1 183789785 RCDGARWYFBRLPJ-UHFFFAOYSA-N 297.402 3.638 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccccc1F 184772466 WQLGDTOUDVTDRM-VOTSOKGWSA-N 262.305 3.792 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OC2CCCC2)cc1 185204505 KJWRUDIKVZADBH-UHFFFAOYSA-N 285.387 3.996 30 20 CHED CC[C@@H](Cc1ccccc1)N[C@H]1CCC[C@H](C#N)C1 185811700 VBNWAMFUTVIBDB-ULQDDVLXSA-N 256.393 3.680 30 20 CHED Cc1cc(Cl)ncc1NCc1cccc(C#N)c1 186052479 ZXHGZLPJSSNWQE-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=CC[C@@H](C(=O)N1CCC[C@H](C)C1)c1ccccc1 187272726 VCPTXJSLIITZNC-GOEBONIOSA-N 257.377 3.605 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1ccccc1 187583826 XVLOJXWJKBALBJ-CJNGLKHVSA-N 262.349 3.520 30 20 CHED CCCCCCCCCC(=O)Nc1cnns1 188228815 UEEHPGFGNMCQFJ-UHFFFAOYSA-N 255.387 3.617 30 20 CHED CCCO[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)CC1 189883579 VVIMMMBQHQMSTJ-MAUKXSAKSA-N 286.419 3.900 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 191961116 KPOFKGODQNICGI-OAHLLOKOSA-N 289.806 3.677 30 20 CHED CCOc1cc(C)ccc1CN[C@@H]1CCC[C@H](C#N)C1 192952367 YMFACWYPEUBGNP-GOEBONIOSA-N 272.392 3.566 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CCCCCC2)cc1 193059170 JCFZUQMGCIVLBK-UHFFFAOYSA-N 285.391 3.896 30 20 CHED CCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2o1 194583293 SZDUONFDKOXOJC-VXGBXAGGSA-N 270.332 3.830 30 20 CHED Cc1oncc1-c1csc(Nc2ccc(C#N)cc2)n1 194941316 DXSCDYDRHNYSKB-UHFFFAOYSA-N 282.328 3.722 30 20 CHED CS[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N 218944221 NTXOKQAQUBIKBW-ZIAGYGMSSA-N 291.376 3.553 30 20 CHED COc1cccc([C@@H](C)NCc2cccc(C#N)c2F)c1 221955753 NLAWAZVJAMHCGJ-GFCCVEGCSA-N 284.334 3.557 30 20 CHED N#Cc1ccc(OC[C@@H]2CCC3(CCCCC3)O2)cc1F 228021342 VQUOZTALKMNGFG-HNNXBMFYSA-N 289.350 3.958 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)CCC#N)cc1OC 229692261 WUWVLBFACOAOLE-ZDUSSCGKSA-N 290.407 3.684 30 20 CHED CC(C)(C#N)CCCCSc1nnc2ccccn12 232525529 QVAKLGYWTCFMJE-UHFFFAOYSA-N 274.393 3.541 30 20 CHED C=CCCCCCN1CC[C@H](C)[C@H](n2ccnc2)C1 248732862 MERCNFSJYZNGJG-JKSUJKDBSA-N 261.413 3.512 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Cl)cc1O 255011527 QLJFFGJCFSFRBX-YVMONPNESA-N 298.729 3.569 30 20 CHED Cc1cc([C@H](C)NC(=O)/C=C\c2ccccc2C#N)c(C)o1 255470804 JQFSDEGYCNMPGS-YXVBKTCISA-N 294.354 3.659 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(Cl)c(F)c1 255719654 IDNCPNUPBVYBCI-ALCCZGGFSA-N 292.741 3.726 30 20 CHED CS[C@@H]1CCC[C@H](Nc2cc(C(C)=O)ccc2C#N)C1 273266057 YUKWTRCCAZNYAH-LSDHHAIUSA-N 288.416 3.847 30 20 CHED CC[C@H]1CN(C(=O)NCCCC#N)CC[C@H]1c1ccccc1 273435363 BGVCSZIHKWOBPN-DOTOQJQBSA-N 299.418 3.515 30 20 CHED N#CC1(c2nc(-c3c[nH]c4ccccc34)no2)CCCCC1 278286223 WNOCECSWJBZFQO-UHFFFAOYSA-N 292.342 3.943 30 20 CHED CC1(c2ccccc2)CC(N[C@H]2CCC[C@@H](C#N)C2)C1 278693898 KQAHBSRPFDBCON-SEEUUAMPSA-N 268.404 3.779 30 20 CHED CC(C)CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C 279631438 BVKVVTYJRDEXOB-UHFFFAOYSA-N 286.419 3.994 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(F)c(N2CCOC2=O)c1 279654698 FLQFEAMRUQUUNI-VXGBXAGGSA-N 292.354 3.795 30 20 CHED Cc1cccnc1COC(=O)c1ccc(C(C)(C)C#N)cc1 280840509 LSZUFVPFLYSJJM-UHFFFAOYSA-N 294.354 3.548 30 20 CHED CC[C@@H](CSc1ccccc1)NC(=O)[C@](C)(C#N)CC 285784032 OIRYBNVMMWAOKJ-BBRMVZONSA-N 290.432 3.613 30 20 CHED CC#CCCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 286418803 QVBGVGUFPRYMQQ-WBVHZDCISA-N 269.388 3.790 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 287054145 LTNXESJRTFKEKW-NUJGCVRESA-N 284.403 3.927 30 20 CHED C=CCC[C@@H](NC(=O)CSC(F)F)c1ccccc1 295158196 CVMKQHLXPYJSDZ-GFCCVEGCSA-N 285.359 3.766 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)C2CC=CC2)s1 297835474 QXCYMSPVFOZYGK-UHFFFAOYSA-N 274.389 3.822 30 20 CHED Cc1cccc(CN(CCCC#N)Cc2ccco2)c1 299105501 XGAIKUZPCUDLNU-UHFFFAOYSA-N 268.360 3.894 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C1CC1)[C@H](C)c1ccccc1 299332677 ROTTUAMKLVUXIC-CABCVRRESA-N 287.403 3.720 30 20 CHED Cc1ccc([C@H](CNc2ccc(C#N)cc2)N(C)C)cc1 301080661 HYWPOHAJYAMUBG-SFHVURJKSA-N 279.387 3.582 30 20 CHED CN(Cc1ccc(F)c(F)c1)c1ccc(Cl)c(C#N)n1 301136703 AKUGAVCPABJFGF-UHFFFAOYSA-N 293.704 3.521 30 20 CHED CN(Cc1cccnc1)c1ccc(C#N)cc1C(F)(F)F 301335625 NQVLAGRXKGJDJM-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC[C@@H](Nc1cccc(C#N)n1)c1ccc(F)cc1F 301391530 ZTSBWHFUJOJWAF-CQSZACIVSA-N 273.286 3.795 30 20 CHED CC(C)C[C@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301811985 XXWUNNWUURCVNM-NSHDSACASA-N 298.346 3.861 30 20 CHED N#Cc1ccc(N2CCC[C@H](c3nccs3)C2)c(F)c1 302019240 DBJXVXHXDIRTKN-LBPRGKRZSA-N 287.363 3.538 30 20 CHED C[C@H](CN(C)Cc1ccccc1)Nc1ccc(F)cc1C#N 302025285 PSJXCGAZLPAYCI-CQSZACIVSA-N 297.377 3.630 30 20 CHED Cc1cccc([C@@H](C)Nc2nc3ccccn3c2C#N)c1C 302099279 PIHVXEDEQLUUKB-CQSZACIVSA-N 290.370 3.996 30 20 CHED COc1ccc(CSc2cccc(C#N)n2)cc1Cl 302767575 ZYUSFZOTZMWVOQ-UHFFFAOYSA-N 290.775 3.908 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCc2ccccc21 302822071 DUFMWLPYRCEJPP-MRXNPFEDSA-N 259.312 3.529 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCOc1cccc(C#N)c1 303669005 FVDWBDPPYQJAFO-KYJSFNMBSA-N 284.403 3.590 30 20 CHED Cc1cc(C)cc(N/C(N)=N/CCCc2ccccc2)c1 303722229 XZSSDNTZJXPVNY-UHFFFAOYSA-N 281.403 3.663 30 20 CHED Cc1ccc2oc(C(=O)NCc3cccc(C#N)c3)cc2c1 315061065 NOOWKNAASOGGHN-UHFFFAOYSA-N 290.322 3.543 30 20 CHED CC(C)(C)[C@@H](NCc1ccc(OCC#N)cc1)C1CC1 323936816 BPGBNHTVNDIMNX-INIZCTEOSA-N 272.392 3.503 30 20 CHED C/C(O)=N/C1(c2noc([C@@H]3C[C@H]3C3CC3)n2)CCCCC1 329446984 BTBKNWYSFOSHMZ-QWHCGFSZSA-N 289.379 3.719 30 20 CHED CC1(/N=C(/O)Cc2ccc3c(c2)N=C(O)C3)CCCC1 329683164 YZWSSCHNKIAMAK-UHFFFAOYSA-N 272.348 3.662 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@@H]1CCCCO1 330177488 KSXIDQBWCGSRRC-ZDUSSCGKSA-N 285.347 3.542 30 20 CHED O=C1CCC(C(O)=Nc2ccc3c(c2)C(=O)CCC3)CC1 330221214 LMDXRZBINBSDCP-UHFFFAOYSA-N 285.343 3.553 30 20 CHED COc1ccc(N=C(O)NC2(C)CCCC2)cc1Cl 330433031 KOVLNPJBNLONPR-UHFFFAOYSA-N 282.771 3.816 30 20 CHED CC[C@@H](/N=C(/O)c1cc(O)ccc1Cl)C1CCOCC1 330548975 WIHGCFTXWUTHBM-CQSZACIVSA-N 297.782 3.555 30 20 CHED CC[C@H]1CCCN1C(O)=Nc1cc([N+](=O)[O-])c(C)cc1C 330909957 FETJIQOLEYRKAM-LBPRGKRZSA-N 291.351 3.632 30 20 CHED Cc1cncc(/C(O)=N/C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 330916460 KXOSZCOQTRLYLS-DZGCQCFKSA-N 290.407 3.536 30 20 CHED CCC(=O)Nc1cccc(/C(O)=N/C[C@@H]2CC[C@H](C)C2)c1 331087971 SNYFMQIJQRUBFL-QWHCGFSZSA-N 288.391 3.776 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)cc1 335102579 PZGDHJVPNLPABO-GJZGRUSLSA-N 296.414 3.750 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)C1CCC(F)(F)CC1 335172511 BWPDLAWDBCJOKR-UHFFFAOYSA-N 259.340 3.625 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccccc2C)s1 336377662 OIPGHBMCLLHEKF-UHFFFAOYSA-N 270.357 3.743 30 20 CHED Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c(C)c1 336510885 QWPULYYXFZRUKA-CQSZACIVSA-N 278.355 3.917 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 338118886 NGRWJEGBKWXDPV-XGWLTEMNSA-N 282.387 3.517 30 20 CHED CC(C)(CCNc1c(C#N)cccc1C#N)C1CC1 338814619 QZJAXUJLNALKRP-UHFFFAOYSA-N 253.349 3.668 30 20 CHED Cc1ccnc(CNc2cccc(C#Cc3ccccc3)c2)n1 339414145 WSWSJOIMUBAXAL-UHFFFAOYSA-N 299.377 3.797 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC(=O)c2ccccc21 340007557 ZXHAORPNNRAVQO-CZUORRHYSA-N 285.387 3.608 30 20 CHED C=CCN(Cc1cccs1)[C@H](C)c1cccnc1 340597760 RNLPDDITSMTETL-CYBMUJFWSA-N 258.390 3.892 30 20 CHED C[C@H](Sc1ccc(C#N)cn1)c1cccc(F)c1 341031421 IBTYVPRFYRMQTK-JTQLQIEISA-N 258.321 3.946 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(-n2ccc(C)n2)cc1 341825943 WSRALSVVWVYZRI-UHFFFAOYSA-N 295.386 3.888 30 20 CHED Cc1ccc2oc(SCc3cccc(C#N)c3)nc2n1 342454314 VNDSHPSWLRXWQA-UHFFFAOYSA-N 281.340 3.695 30 20 CHED C=CC1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1 346846861 HKBDYEBTMJNPKM-UHFFFAOYSA-N 287.334 3.919 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@H](CC(C)C)C2)n1 346851092 OAGGXNFHQNEIFT-CQSZACIVSA-N 257.381 3.524 30 20 CHED CC(C)c1nn(-c2ccccc2)cc1CN(C)C[C@@H](C)C#N 352090467 ALFUMXRAYDTELR-HNNXBMFYSA-N 296.418 3.587 30 20 CHED C=C(CNc1ncnc2sccc12)c1ccccc1 352207549 ZDWCSEHGQZAQQD-UHFFFAOYSA-N 267.357 3.817 30 20 CHED C=CCCC1(C(=O)NCCSc2ccccc2)CC1 353684565 MAUKMBGNFMFFMA-UHFFFAOYSA-N 275.417 3.641 30 20 CHED CCCN(CCCC#N)[C@@H]1C[C@H](OCC)C12CCCC2 354462086 RJOSHKXURGMECW-CVEARBPZSA-N 278.440 3.740 30 20 CHED N#Cc1ccc(S[C@H]2CCc3ccccc3NC2=O)cc1 358508711 IIOAGQXKEYTKGU-INIZCTEOSA-N 294.379 3.604 30 20 CHED CC[C@H](C(=O)N(C1CC1)C1(C#N)CCC1)c1ccccc1 362175901 AXYZONWFVJSNDY-INIZCTEOSA-N 282.387 3.617 30 20 CHED Cc1noc(C)c1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 363285371 JIVBLGMOPBKEGL-FUHWJXTLSA-N 295.386 3.563 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C[C@@H]2CCOC2)C1 370690076 LTWALFFIXSTWOP-NXHRZFHOSA-N 298.430 3.758 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@@H]1CCOc2ccccc21 372392869 ZCDOAXGIJZOIOP-KRWDZBQOSA-N 292.382 3.556 30 20 CHED CC[C@@H](C)[C@H](CNc1ccc(C#N)c(Cl)c1)OC 381287510 MULLRGOKNPEHMT-YGRLFVJLSA-N 266.772 3.685 30 20 CHED C=CCCCCCCNCc1cccc([N+](=O)[O-])c1 382233627 VRQLGAKGBFFDQL-UHFFFAOYSA-N 262.353 3.821 30 20 CHED CCCSCc1ccc(Br)cc1C#N 393654257 DXLUMMVGCGSJAC-UHFFFAOYSA-N 270.195 3.964 30 20 CHED N#CCC1(CNC(=O)Nc2ccccc2C(F)(F)F)CC1 404221330 KUAVIHHKVZGIJB-UHFFFAOYSA-N 297.280 3.521 30 20 CHED CSCCCCCCNCc1ccc(C#N)c(F)c1 404265229 VOFYMLGMRVGZRO-UHFFFAOYSA-N 280.412 3.710 30 20 CHED C=CCC(C)(C)C(=O)N1CCCN(C)c2ccc(F)cc21 410507863 IXGZJOVUGZLVTQ-UHFFFAOYSA-N 290.382 3.601 30 20 CHED C[C@H](CCC#N)N1CC=C(c2c(F)cccc2F)CC1 411545839 ROIHIOLXCZILAK-GFCCVEGCSA-N 276.330 3.746 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1F 412670812 JFWFOHYTKFAAMT-ZIAGYGMSSA-N 293.407 3.975 30 20 CHED Cc1nnc(SCC2CCC(F)(F)CC2)c(C#N)c1C 412991162 QLJMDCSHXCAHQB-UHFFFAOYSA-N 297.374 3.883 30 20 CHED CCc1noc(C)c1CN(C)[C@@H](C)c1cccc(C#N)c1 425530325 DVZXZUSQHRFPGT-LBPRGKRZSA-N 283.375 3.610 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)CCCC(F)(F)F 426396092 LYCXLUGFIZXMSZ-NWDGAFQWSA-N 292.345 3.858 30 20 CHED N#CCN(CCc1ccc(F)cc1Cl)C1CCCC1 428271644 GRPKMJKOIQLKAI-UHFFFAOYSA-N 280.774 3.790 30 20 CHED C[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)Cc2ccccc2O1 429113955 JMYXLSVQWVQDPM-GJZGRUSLSA-N 292.382 3.902 30 20 CHED C=CCN(CCC#N)Cc1ccc(OCC(C)C)cc1 430100903 OIWFHHNRMBZRJK-UHFFFAOYSA-N 272.392 3.623 30 20 CHED CC1(C)C[C@H](NC(=O)c2ccc(C#N)s2)c2ccccc21 431871788 RGQLMENDKGWAKB-AWEZNQCLSA-N 296.395 3.772 30 20 CHED N#Cc1ccc(SCCOC2CCCC2)c(F)c1 431938385 OBSGOEJYQQCZDK-UHFFFAOYSA-N 265.353 3.749 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@@H]1CCCCN1C1CC1 433794857 ATLKWKDGQAANGN-HNNXBMFYSA-N 289.810 3.640 30 20 CHED CC#CCCNC(=O)Nc1c(CC)cc(C)cc1CC 435177423 NIABUGGXTZLEHZ-UHFFFAOYSA-N 272.392 3.655 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1c(F)cccc1Cl 435742651 WLYPDNSJHUEPOT-NHYWBVRUSA-N 283.774 3.550 30 20 CHED C=CC[C@H](C)NCc1ccc(N(C)c2ccccc2)nc1 435785424 OISXJCZQSGSLDT-HNNXBMFYSA-N 281.403 3.904 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(F)cc1C#N 441464290 AJNJTLAMNPDRFR-IGCXYCKISA-N 272.367 3.850 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[C@@H](C#N)C1 442863435 QXNWGHGPZQPGEE-BMFZPTHFSA-N 276.811 3.943 30 20 CHED CC1(C)CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 443141141 LVJGHBCPDLZWFC-AWEZNQCLSA-N 271.364 3.649 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(C3CC3)cn2)c1 445917039 HCJHKYDCTOWWFC-UHFFFAOYSA-N 294.354 3.776 30 20 CHED C=CCN(Cc1ncc(C(C)(C)C)s1)C1CC1 448332586 NCPDNAGLTMWFRV-UHFFFAOYSA-N 250.411 3.591 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1C[C@@]1(C)c1ccccc1 448914691 BNWCZZUSSBSUKI-LPHOPBHVSA-N 298.430 3.753 30 20 CHED COCCOc1ccccc1NC1CCC(C)(C#N)CC1 449050758 QHXQLNDHTSIBLK-UHFFFAOYSA-N 288.391 3.596 30 20 CHED C=C(C)CCN[C@H](C)CC(=O)Nc1ccccc1CC 449475573 LMUIPYSBILGLHF-CQSZACIVSA-N 274.408 3.522 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCCC1(F)F 450481550 BDXUXRHXGWLWPM-AWEZNQCLSA-N 297.345 3.662 30 20 CHED N#Cc1cccc(NC[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] 450498542 HGHCJJXEUBGXOC-JTQLQIEISA-N 295.289 3.704 30 20 CHED C=C(C)[C@@H](NC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(F)c(F)c1 450781515 RWZHUBSFZGOBLN-NSNWQYSKSA-N 293.357 3.739 30 20 CHED C=CC(C)(C)C(=O)N1CCc2c1cccc2C(F)(F)F 450868493 ZUZRUCHBUQKTED-UHFFFAOYSA-N 283.293 3.807 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 451350779 DKHMAVLICOFAGQ-XJKSGUPXSA-N 297.801 3.847 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 452777741 OTPWTIURGCCCEA-WDEREUQCSA-N 277.330 3.684 30 20 CHED C=CCCc1noc([C@H]2CCCN2Cc2ccccc2)n1 453239103 RPMRVYJBUGSZRM-OAHLLOKOSA-N 283.375 3.525 30 20 CHED C=CC(C)(C)CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 453308278 MYVSJYXVEJSKOS-HNNXBMFYSA-N 288.391 3.718 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc(-c2ccncc2)cc1 453350899 JYCZTTFYYYCZSK-KXBFYZLASA-N 296.414 3.726 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 454846368 ZHMKCOSLBZNIFF-OAHLLOKOSA-N 276.355 3.557 30 20 CHED CCC[C@@H](NC(=O)NCC(C)(C)CCC#N)C(C)(C)C 454952929 FGDTWOGMCOLOFE-CYBMUJFWSA-N 281.444 3.830 30 20 CHED C[C@H](NC(=O)Nc1cccc(CC#N)c1)C1CCCCC1 455917425 JUTYTLICHMWVDZ-ZDUSSCGKSA-N 285.391 3.843 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H]2CCCC[C@@H]21 459297657 RPZYVBLGKQXKNB-BBRMVZONSA-N 299.374 3.621 30 20 CHED C[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1 461762583 DXAKVQCRQUVQCT-KGLIPLIRSA-N 278.355 3.539 30 20 CHED C=CCCN(C)C(=O)NCc1cccc(C(C)C)c1 466808911 JDHNZTOUURDIPL-UHFFFAOYSA-N 260.381 3.528 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccnn1Cc1ccc(C)cc1 468021936 MEVCFHWOKWPOBO-SFHVURJKSA-N 297.402 3.781 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 471711796 ISYITUXRMYLGGO-KGLIPLIRSA-N 279.330 3.541 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1SC 473491180 IQXRLROWEQTPAB-UHFFFAOYSA-N 264.394 3.886 30 20 CHED C=CCCCCNC(=O)N(C1CC1)[C@H](C)c1ccco1 474080643 MMWKHCSRULHPKE-CYBMUJFWSA-N 276.380 3.871 30 20 CHED C[C@H](CNc1c(Cl)cccc1C#N)C(F)(F)F 475735107 QUMRVRCVGKWMBQ-SSDOTTSWSA-N 262.662 3.822 30 20 CHED C[C@@H](CNc1ccc(Cl)cc1C#N)C(F)(F)F 475737115 CBLNOYFYEDLHHY-ZETCQYMHSA-N 262.662 3.822 30 20 CHED C=CCOc1ccc(CNCCC=C(C)C)cc1OC 480309599 SDXAEMUDFSUTPL-UHFFFAOYSA-N 275.392 3.706 30 20 CHED C=C(C)[C@H](CC(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C)OCC 482681886 JPKBOBMTZIKBSW-UGUYLWEFSA-N 281.440 3.546 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)C1(C#N)CCCCC1 482705329 NLCXNRIFLSYDIQ-ILXRZTDVSA-N 276.424 3.649 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2ccccc2o1 488851207 FLBLZTFGPQCHCK-ZDUSSCGKSA-N 255.317 3.614 30 20 CHED CCCC[C@@H](CC)C(=O)N(CC#N)c1ccccc1 497910173 ZSLPCVGLLKXPPY-CQSZACIVSA-N 258.365 3.760 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H]1/C=C\c1ccccc1 505354235 VJBRJMBVBPFFTI-BSKSSJJLSA-N 299.414 3.672 30 20 CHED C=CCCCNC(=O)c1cc(Cl)c(F)cc1Cl 509518702 YCHCMHFJSYJVPT-UHFFFAOYSA-N 276.138 3.829 30 20 CHED COCC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)(C)C 510978676 MQIOVQFLZZMGRT-MLGOLLRUSA-N 292.398 3.799 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)CCC1CCCCC1 512944494 DIVLXHSCMFPOLB-BBRMVZONSA-N 264.413 3.791 30 20 CHED N#Cc1c(C(F)F)cccc1N1CCC(CF)CC1 514798027 FLUZEWIAVXLJCC-UHFFFAOYSA-N 268.282 3.682 30 20 CHED Cc1nc(NC[C@H]2CCOC(C)(C)C2)c(Cl)cc1C#N 518337216 IPBILQCHALGAEY-NSHDSACASA-N 293.798 3.532 30 20 CHED N#CC1(CNCc2ccc(-c3ccccc3F)s2)CC1 518879597 AVBAOJGKZMAVOB-UHFFFAOYSA-N 286.375 3.948 30 20 CHED CCC[C@H](C#N)NC(=O)CCCCc1ccc(C)cc1 522587594 RGYAGMLGDCQRPD-MRXNPFEDSA-N 272.392 3.516 30 20 CHED C=CC[C@H](C)NC(=O)c1csc2c1CC[C@@H](C)C2 523962934 MOWUOYSYRAWHPV-MNOVXSKESA-N 263.406 3.567 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cc2c(s1)CCCC2 527483335 KPYHERKMYSWWSF-MRXNPFEDSA-N 277.433 3.845 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H](C)[C@@H]1CCC)OCC 534424218 DCWGLUDVBKKQRS-JYJNAYRXSA-N 281.440 3.785 30 20 CHED CC#CCNC(=O)N(CCC)[C@H](CC)c1ccccc1 536460154 RKNKTHGSKKMPDO-MRXNPFEDSA-N 272.392 3.583 30 20 CHED C=C(CC)CN(Cc1cccc(OC)c1)C[C@H]1CCCO1 536891022 WDTQIGSFLUNZSL-GOSISDBHSA-N 289.419 3.642 30 20 CHED C=C(C)COCCN[C@@H](CCC)Cc1ccccc1 540164440 VFJHLCVKDNEZMJ-KRWDZBQOSA-N 261.409 3.580 30 20 CHED C=CCC[C@H](NCc1ccc(OCC)c(OC)c1)C1CC1 540193112 WXGGWRFWRYHPAJ-INIZCTEOSA-N 289.419 3.928 30 20 CHED Cc1ccnc(N[C@@H]2c3ccccc3CC[C@@H]2C)c1C#N 541351177 KPTCCJOYEYJQFO-GUYCJALGSA-N 277.371 3.997 30 20 CHED Cc1ccc(CCCN(C)Cc2ccc(C#N)cc2)cc1 544071413 ZGCJPSADHRKDPW-UHFFFAOYSA-N 278.399 3.931 30 20 CHED C=CCCN1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 548731653 YGCWLSDZNMKQAM-WFASDCNBSA-N 265.784 3.678 30 20 CHED CC(C)C[C@@H]1CCCN(c2nccc(C#N)c2Cl)C1 553149972 SEIGHLWAUIXBSC-LBPRGKRZSA-N 277.799 3.869 30 20 CHED C=CCCCCCN(C)c1nccc(C#N)c1Cl 553412048 URDPSMGYTSXIBS-UHFFFAOYSA-N 263.772 3.789 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2COc3ccccc3C2)n1 556365500 XOOJLOLWIZHLBH-ZDUSSCGKSA-N 284.359 3.642 30 20 CHED CCC1(CC)[C@H](NC2(c3cccc(C#N)c3)CC2)C[C@H]1OC 556603377 JAYXCZHVYFVJNY-IAGOWNOFSA-N 298.430 3.731 30 20 CHED N#CCC[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 558699110 ZKTWNBGUWOZTRA-VVLHAWIVSA-N 254.377 3.810 30 20 CHED CC(C)[C@@H]1OCCC[C@H]1CN[C@@H]1CCc2ccc(C#N)cc21 564427577 LUYWEBNIWFQCPE-UHOSZYNNSA-N 298.430 3.586 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)NCC1(C#N)CC1 567546902 GQOQCIAVTJAUGP-CQSZACIVSA-N 256.393 3.636 30 20 CHED CC(C)(CC#N)CSc1nccc(C(F)(F)F)n1 570827944 RLCHJDKTPFPAJK-UHFFFAOYSA-N 275.299 3.527 30 20 CHED C[C@H](c1ccccc1F)N1CCC(CCC#N)CC1 571519526 RWXKDTZUAWYUPF-CYBMUJFWSA-N 260.356 3.902 30 20 CHED CC[C@@H]1C[C@@H](C)CN1c1ncc(Cl)c(C)c1C#N 572319391 STUNZUAHILLEDR-MWLCHTKSSA-N 263.772 3.540 30 20 CHED N#C[C@@]1(C(=O)Nc2nccc3sccc23)CC12CCCC2 577468069 YBKYCDJLXNMUON-MRXNPFEDSA-N 297.383 3.709 30 20 CHED Cc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)cn1 579665784 MROPDWOWFBBGRI-GOSISDBHSA-N 277.371 3.599 30 20 CHED C/C=C\c1ccc(NC(=O)c2cc(C#N)cs2)cc1 579763428 IAAKYTKNGPEUAI-IHWYPQMZSA-N 268.341 3.905 30 20 CHED CCc1nsc(Oc2cc(C)c(C#N)c(C)c2C)n1 581842118 SUXDDHNSZMYJOU-UHFFFAOYSA-N 273.361 3.690 30 20 CHED CSc1ccc(CN2CCC[C@](C)(C#N)C2)s1 589511440 JYXCFORGPDFODX-CYBMUJFWSA-N 266.435 3.596 30 20 CHED C[C@@H](NC(=O)[C@H]1CC2CCC1CC2)c1cccc(C#N)c1 590072363 XDBJILZUKXGGQD-PSQDLTRKSA-N 282.387 3.562 30 20 CHED CCOc1ccc(C[C@H](C)CN[C@@H]2CC[C@H](C#N)C2)cc1 590780359 ZEYPHBWAZRMOPT-BHYGNILZSA-N 286.419 3.546 30 20 CHED C[C@@H](CCC#N)N1CCC(CCc2ccc(O)cc2)CC1 591011259 ZRFFDOGFDATUEH-HNNXBMFYSA-N 286.419 3.729 30 20 CHED CC[C@H](C#N)C(=O)N(C1CC1)[C@H](C)c1ccccc1Cl 593415872 KKFXRSUCAVSNHI-VXGBXAGGSA-N 290.794 3.942 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 593504648 IOWXPTPXGOKXCQ-YNEHKIRRSA-N 292.810 3.840 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 593569157 XGFVQTWAZSDOFX-DYVFJYSZSA-N 284.403 3.853 30 20 CHED CC[C@H](N[C@H](C)Cc1ccccn1)c1ccc(C#N)cc1 594514476 IZSGEROPBYBBND-KDOFPFPSSA-N 279.387 3.625 30 20 CHED CO[C@H](COc1c(C#N)cnc2ccc(C)cc12)C1CCC1 594897935 XULZTLCGWLUCIP-QGZVFWFLSA-N 296.370 3.609 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)C1CCCC1 595058154 YRGCIDNHPVITOM-QGZVFWFLSA-N 256.393 3.659 30 20 CHED CC(C)CC1(N[C@H](C)c2ccc(C#N)c(F)c2)CC1 595095885 STRWMNFBUDEZPA-GFCCVEGCSA-N 260.356 3.927 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@]23CCC[C@H]2C3)n1 596315670 FBUMIDXCNGWIPN-LRDDRELGSA-N 255.365 3.605 30 20 CHED CSc1c(F)cccc1NC(=O)CCCCCC#N 597904366 SFBZFLZTRIRPHJ-UHFFFAOYSA-N 280.368 3.960 30 20 CHED C=CCCSCCNC(=O)c1cc(F)cc(Cl)c1 597968238 PNTCFDQDOSLBKG-UHFFFAOYSA-N 287.787 3.518 30 20 CHED CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1CC1CCCCC1 598588662 APYYTMDCNUSQKJ-DLBZAZTESA-N 292.467 3.722 30 20 CHED CCCCC[C@@H]1CCCCN1C[C@H](O)CC(C)(C)C#N 598626847 BVPWDKYYKZBHLP-HZPDHXFCSA-N 280.456 3.722 30 20 CHED CCOC(=O)[C@H](Sc1cccc(C#N)c1)C(C)(C)C 600528868 ISIMRNNTOPDVKG-ZDUSSCGKSA-N 277.389 3.628 30 20 CHED CC(C)c1cnc(SCc2cccc(C#N)c2F)[nH]1 600585401 OZHZUEGATOAVRG-UHFFFAOYSA-N 275.352 3.836 30 20 CHED C=CCCCCCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] 601213390 BOTQEJIXHOFAAQ-UHFFFAOYSA-N 294.326 3.552 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1ccc(F)cc1Cl 602609327 CFEJKGOIDZPYAA-GXFFZTMASA-N 268.763 3.692 30 20 CHED CCc1ccc(-c2ccc(C(=O)N[C@@](C)(C#N)CC)o2)cc1 610291465 KUSFYLYUPLDJRD-GOSISDBHSA-N 296.370 3.931 30 20 CHED C[C@@H](NC(=O)Nc1ccsc1)c1cccc(C#N)c1 610781277 OGBNCDBQOZZWKN-SNVBAGLBSA-N 271.345 3.502 30 20 CHED Cc1coc2ccc(NC(=O)N3CCC[C@](C)(C#N)C3)cc12 614261129 POYLFBLYASVZRY-QGZVFWFLSA-N 297.358 3.899 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1F 616762493 YOUXMFMUVJXXKE-GOSISDBHSA-N 296.345 3.740 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc3c2ccn3C)C1 617784131 NVRCZCLMCXNZJH-AWEZNQCLSA-N 282.387 3.607 30 20 CHED C=C[C@H](S[C@@H](CC)c1ccccc1)C(=O)OC 619689572 OQZYFLIJIYIAEQ-STQMWFEESA-N 250.363 3.599 30 20 CHED C=C[C@@H](Nc1cc(-c2ccc(C)o2)ccc1C)C(=O)OC 619734583 MEUBMAFEIHBDML-CQSZACIVSA-N 285.343 3.703 30 20 CHED Cc1cncc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)c1 619754796 KUIZJBKGXZYZJA-GFCCVEGCSA-N 285.778 3.766 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)OCC 621206778 CEJMRFIVYOUWNZ-JYJNAYRXSA-N 279.424 3.539 30 20 CHED C=CCN(C(=O)[C@H](CC)CC(F)(F)F)C(C)(C)C 622945358 AVSVMUWQZJZDIK-SNVBAGLBSA-N 265.319 3.778 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](CCC)c1ccccn1 644939664 UGFQFYFENPOEMX-OAHLLOKOSA-N 289.423 3.824 30 20 CHED N#C[C@@H](C(=O)c1ccc(Cl)o1)c1nc(C2CC2)cs1 647372452 MTXNCYPVBVMELI-QMMMGPOBSA-N 292.747 3.757 30 20 CHED C=C(C)CNC(=O)CCc1c(Cl)cccc1Cl 655009112 DCETWVHOGYEJQK-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C=C[C@H](C)N[C@H](c1cccc(OC(C)C)c1)C(F)F 655722781 IHZIVKJCZWABOB-SMDDNHRTSA-N 269.335 3.944 30 20 CHED C=CCCNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 661572635 UZFPORYJNCYLTC-NSHDSACASA-N 266.772 3.619 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(COC)c2)C1 665499476 GGXUYXPQPMHJOH-CQSZACIVSA-N 288.391 3.653 30 20 CHED C=CCCNC(=O)N(Cc1cccc(Cl)c1)C(C)C 665946098 SFKWYCJJLPWYLU-UHFFFAOYSA-N 280.799 3.836 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccccc1CCOC 666844334 GJSVGWDYJCXAGN-UHFFFAOYSA-N 290.407 3.742 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H]1CCc2ccccc21 683788069 FXGYKWQJOPVXRH-JKSUJKDBSA-N 269.388 3.674 30 20 CHED C=CC[C@H](CC)NC(=O)N1Cc2ccccc2C(F)(F)C1 684929470 KKTOZJUOTYQMFM-ZDUSSCGKSA-N 294.345 3.658 30 20 CHED C=CCNC(=O)[C@H](C)Nc1ccc(CCCCC)cc1 685031195 YUOVFEHKRWEXEQ-AWEZNQCLSA-N 274.408 3.522 30 20 CHED C#Cc1cccc(Nc2nc(-c3cccn3C)cs2)c1 727462551 MKLNQWJYPSWPDQ-UHFFFAOYSA-N 279.368 3.874 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(N(C)C)c(F)c2)cc1 727653167 GGIJGBMJCGAYHS-WZUFQYTHSA-N 299.345 3.796 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(F)cc1O 727778373 FPAAFHKZUIXHDL-UHFFFAOYSA-N 272.323 3.930 30 20 CHED N#Cc1cc(F)ccc1COC(=O)/C=C\c1cccc(F)c1 728613781 VNQHKZNIXJHQJC-DAXSKMNVSA-N 299.276 3.593 30 20 CHED Cc1ccccc1CCC(=O)OCc1cccc(C#N)c1 729013601 OGDNVOQPMBPZHS-UHFFFAOYSA-N 279.339 3.543 30 20 CHED C=CCCOC(=O)[C@@H](C)Sc1ccc(Cl)cc1 729073208 GNTXAIVWBYWTHW-SNVBAGLBSA-N 270.781 3.940 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)c1ccnc2ccccc12 731316926 PGVSNTLBGBBYJO-UHFFFAOYSA-N 298.349 3.651 30 20 CHED C=C(Br)CN1CCCC2(CCCCC2)C1 732412579 PHWCIROJTHOVTL-UHFFFAOYSA-N 272.230 3.941 30 20 CHED CC(C)[C@H](C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 733679608 CGZUWFNFRIBKNS-GXTWGEPZSA-N 266.344 3.703 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccccc1C)C(C)C 734771004 CCBUYPJRDVIEHY-HNNXBMFYSA-N 259.393 3.912 30 20 CHED C=CCCCOC(=O)CCOc1cccc(C)c1C 735526625 FHSRVOLCSPBASH-UHFFFAOYSA-N 262.349 3.582 30 20 CHED CCc1ccc(CC/N=C/c2c(O)cccc2OC)cc1 735978940 QDERFKRAJHDWQA-CPNJWEJPSA-N 283.371 3.625 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1 740433950 AAGUCSOVJWCVCT-VIKVFOODSA-N 270.376 3.614 30 20 CHED C#CCOc1cccc(NC(=O)NCCCC(C)(C)C)c1 740454248 SHHMNIASCXKJAU-UHFFFAOYSA-N 288.391 3.646 30 20 CHED COCC(=NNc1cccc(C(F)(F)F)c1)C(C)C 741451217 MQXQRYTUPOEKBW-UHFFFAOYSA-N 274.286 3.776 30 20 CHED CCN(CC)c1ccnc(NN=C2CCC[C@@H]2C(C)C)n1 747765928 KACINQMBBSSQHI-CYBMUJFWSA-N 289.427 3.547 30 20 CHED N#Cc1ccc(C=NNc2nc3ccccc3s2)s1 748777613 DJPQRAWTSUUZSD-UHFFFAOYSA-N 284.369 3.675 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cc(C)c(C)cc2C)o1 749453085 RBOVKNRBMCWJFT-FNORWQNLSA-N 298.338 3.888 30 20 CHED Cc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1[N+](=O)[O-] 749747102 VIVHELOMIKPYBX-VIZOYTHASA-N 299.257 3.659 30 20 CHED C=CC[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccncc1 750642464 NSTUOQIEAOQXBU-HUUCEWRRSA-N 287.407 3.577 30 20 CHED C=CCCC(CC)=NNc1oc(C(C)C)nc1C#N 750936590 GADADIDQQHZGPE-UHFFFAOYSA-N 260.341 3.814 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1nc2ccccc2n1C 751131404 VIXYLEKXLYWAPM-LBPRGKRZSA-N 290.370 3.582 30 20 CHED O=C1/C(=C/c2cccc(F)c2)Cc2c(F)cc(F)cc21 751534143 BVOYQHGVPKHFIT-ONNFQVAWSA-N 274.241 3.926 30 20 CHED CC1(C)CCC[C@H](C=NNc2cncc(Cl)n2)C1 752724254 WXVLGOUHAMHVTQ-JTQLQIEISA-N 266.776 3.744 30 20 CHED CCCCCCCCNc1ccc2nnc(C(F)F)n2n1 754787425 WLCZPDWOXXTMDY-UHFFFAOYSA-N 297.353 3.834 30 20 CHED Cc1csc(C=NNc2ccc(Br)cc2)n1 755631151 JQFRFSRQLHUUIE-UHFFFAOYSA-N 296.193 3.660 30 20 CHED Oc1c(F)cccc1C=NOc1ccccc1C(F)(F)F 755815120 FOAUXQHIOBGENC-UHFFFAOYSA-N 299.223 3.963 30 20 CHED C[C@H]1CCc2c(F)cccc2C1=NO[C@H]1CCCCO1 755822471 ULVQUSDJXXGNKB-NHYWBVRUSA-N 277.339 3.655 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC(CC(C)C)CC1)OCC 755970365 BOVHYRAPZPZLDM-MRXNPFEDSA-N 281.440 3.642 30 20 CHED C=CCCOCCNC(=S)Nc1ccc(C(C)C)cc1 756851066 GTNIQJSMJNDNFT-UHFFFAOYSA-N 292.448 3.689 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1cc(C#N)cs1)O2 759119006 YNHSRFNAZREGIH-GIDUJCDVSA-N 281.336 3.853 30 20 CHED CCCCCCCC(=O)Nc1cc(OC)ccc1O 759304387 VISWPLLNFAHHNQ-UHFFFAOYSA-N 265.353 3.700 30 20 CHED CCc1ccc(C=Nn2c(CC)nc3ccccc32)o1 760240647 WZTRDFNHFWPAQH-UHFFFAOYSA-N 267.332 3.636 30 20 CHED CC(C)=CCC[C@H](C)CC=NNc1ncc(F)cn1 760266286 SSXBKHNTPUFPJX-LBPRGKRZSA-N 264.348 3.786 30 20 CHED C=CCCC[C@H](C)NC(=O)c1nc(Cl)sc1C 762902847 YSQRTRSYYKIQNP-QMMMGPOBSA-N 272.801 3.580 30 20 CHED CC(CCc1ccco1)=NNCc1cnc2ccccc2c1 764779962 ZHEHAGBWZTWMHQ-UHFFFAOYSA-N 293.370 3.926 30 20 CHED O=C(O)c1csc(/C=C\C(=O)c2ccc(F)c(F)c2)c1 765826762 SNCAZVQINGUTRT-RQOWECAXSA-N 294.278 3.621 30 20 CHED C=CC[C@H](N[C@H]1CCc2ccccc21)c1ccncc1 766021499 UFPHOKPSSFVWBX-ROUUACIJSA-N 264.372 3.976 30 20 CHED CC#CCCCC(=O)Oc1ccc(F)c(Br)c1 767122281 NVHJOPVQKIPJQD-UHFFFAOYSA-N 299.139 3.687 30 20 CHED CC[C@H](C(=O)Oc1ccc(C#N)c(OC)c1)c1ccccc1 767153458 BKTFEWQRAPPVDL-INIZCTEOSA-N 295.338 3.666 30 20 CHED CCCCCCCCCCNC(=O)N[C@@H]1CCO[C@@H](C)C1 769719162 DTLVVOMFHIZKBV-JKSUJKDBSA-N 298.471 3.994 30 20 CHED C=CCOCCCC(=O)OCc1cccc(F)c1Cl 771981955 WJNWRSYKKKIUDS-UHFFFAOYSA-N 286.730 3.505 30 20 CHED C=CC[C@H](N[C@@H](C)c1csc(C)n1)c1ccncc1 772864500 JKHKJLZLZFIGPE-FZMZJTMJSA-N 273.405 3.815 30 20 CHED CC(C)c1nccnc1NN=C1CC(C)(C)C[C@@H]1C 773077790 IYVHHJVBVDRYMD-NSHDSACASA-N 260.385 3.824 30 20 CHED COc1cccc(OC)c1C=NN[C@@H]1CCCCC1(C)C 773122612 AWHHWNCWLWJZRI-MRXNPFEDSA-N 290.407 3.596 30 20 CHED C=CCCCC(=O)NC1(C(=O)OC(C)(C)C)CCCCC1 773129556 XWIVRJIRGBLQQV-UHFFFAOYSA-N 295.423 3.504 30 20 CHED C=CCCOCC(=O)OCc1cccc(Cl)c1Cl 773400446 HSMPBGCTBVWXPK-UHFFFAOYSA-N 289.158 3.629 30 20 CHED CCN(C)c1ccc(CN(CCC#N)Cc2ccco2)cc1 773754822 OPRRRVCIMJSWID-UHFFFAOYSA-N 297.402 3.652 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cccc(C(=O)O)c1 774115115 NNRXNDPNKAMJIX-CLFYSBASSA-N 296.322 3.598 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(Cl)cn1 774387622 VFRDOGXRZKMXIX-UHFFFAOYSA-N 299.683 3.988 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc[nH]1 775425312 XORLECKABONVQY-SJKOYZFVSA-N 265.360 3.615 30 20 CHED C=CCSc1ccccc1C(=O)Nc1ccc(O)cc1 777268308 BMAZVQHFKBPVEZ-UHFFFAOYSA-N 285.368 3.923 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)Cc2ccccc2CC#N)C1 777405421 KOYMVNRXAVLWMT-IBGZPJMESA-N 298.430 3.724 30 20 CHED C#CCCCCCC(=O)NC[C@@H](C)c1cccc(C)c1 779917907 LTSDTNNXQGIEGZ-MRXNPFEDSA-N 271.404 3.798 30 20 CHED CC1(C)CCC(C=NN[C@H]2CCOC(C)(C)C2)CC1 780252109 ZFHKMCZELNJTAE-AWEZNQCLSA-N 266.429 3.736 30 20 CHED CC(C)=CCC[C@H](C)CC=NN[C@@H]1CCCOC1 780263025 QBKQJLNXYDMGFZ-LSDHHAIUSA-N 252.402 3.513 30 20 CHED CCc1cccnc1C(C)=NN[C@H]1CCCC1(C)C 782300341 LPMXGRIVCUBYTP-AWEZNQCLSA-N 259.397 3.536 30 20 CHED CC(C)(C#N)CCCOC(=O)Cn1ccc2ccccc21 783094308 SRBHIYPTFNFCDE-UHFFFAOYSA-N 284.359 3.514 30 20 CHED CCc1ccccc1CON=Cc1c(C)nc2sccn12 783557149 QQEJYZIGYULMBB-UHFFFAOYSA-N 299.399 3.817 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@](C)(C#N)C1 784389427 PDNOGDYINVIPGD-INIZCTEOSA-N 279.428 3.682 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(N)c(Cl)c1 787929075 VXBYCPQYUMBUGD-SNVBAGLBSA-N 299.201 3.756 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)n(C)n1 789159643 OZARUBFYYUOVLH-SREVYHEPSA-N 294.276 3.643 30 20 CHED Cc1cccnc1NN=C1CCOc2ccc(C)c(C)c21 790186729 QSGDHERSGZCEBE-UHFFFAOYSA-N 281.359 3.606 30 20 CHED C[C@@H]1CC/C(=C/C(=O)[C@@H](C#N)c2cnc3ccccc3n2)C1 792100183 LKOLRZUZJREVDZ-HSWBZUAGSA-N 291.354 3.552 30 20 CHED CC[C@H](C)CON=CCCc1ccc2c(c1)CCO2 793164100 RZTNYNNXJVTOGL-ZDUSSCGKSA-N 261.365 3.603 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ncncc1F)CCC2 793211702 ZMZJJFJSPZPCBK-UHFFFAOYSA-N 298.365 3.892 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NNc1ccnc(F)c1 794858831 AMYJECLCJORLDK-UHFFFAOYSA-N 294.333 3.635 30 20 CHED Cc1cnc([C@@H](C)OC(=O)c2ccc(C(C)(C)C#N)cc2)o1 796038442 DTCGFKSBTXUXSG-GFCCVEGCSA-N 298.342 3.702 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C(C)C)sc2ccc(C#N)cc12 796824268 ZKCUHNGVOZUFAS-ZDUSSCGKSA-N 298.367 3.786 30 20 CHED Cc1c(C(=O)O[C@H](C)CC#N)sc2ccc(C#N)cc12 796881696 IROORRXHMJIDQN-SECBINFHSA-N 284.340 3.540 30 20 CHED C=C(C)COC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798783002 CASDZLLPLLZMPX-SNVBAGLBSA-N 272.266 3.928 30 20 CHED C#C[C@@H](NC(=O)[C@H](CC(C)C)c1ccccc1)C(C)C 799045925 XJXWSZJISOKEFZ-IAGOWNOFSA-N 271.404 3.590 30 20 CHED CC(=NNc1ccc(C)cc1)c1coc(C(C)C)n1 799464666 IFHFADCZSKCFEY-UHFFFAOYSA-N 257.337 3.943 30 20 CHED C#C[C@H](OC(=O)c1ccc(-c2csc(C)n2)cc1)C1CC1 799620457 RLARSAHGHYTRSJ-INIZCTEOSA-N 297.379 3.687 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(N3CCCC3)c(F)c2)C1 799721387 DSTWDKDOLWUMBX-CHWSQXEVSA-N 273.355 3.530 30 20 CHED CC(C)C(Cn1cccn1)=NNc1cccc(Cl)c1 802703592 HTJNTKOJCWHTDK-UHFFFAOYSA-N 276.771 3.661 30 20 CHED C[C@H](C#N)OCCS[C@H](C)c1ccc(F)c(F)c1 802750048 VNRVKCPJAPZNPS-NXEZZACHSA-N 271.332 3.688 30 20 CHED C=C(C)COC(=O)COC(c1ccccc1)c1ccccc1 804035131 KXPIDKGSSWVQQG-UHFFFAOYSA-N 296.366 3.912 30 20 CHED Cc1cccc(CCCOC(=O)CCCCCC#N)c1 805697242 WEAYJUVLAHZDSQ-UHFFFAOYSA-N 273.376 3.945 30 20 CHED O=C1/C(=C\c2cc(F)ncc2F)CCc2ccccc21 806565836 TVZSIXMFNNSZIQ-XFFZJAGNSA-N 271.266 3.572 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1cc(C)c(C)o1 807991611 QEWDUYZBZTZNII-UHFFFAOYSA-N 284.363 3.790 30 20 CHED C#Cc1ccccc1CC(=O)OCc1ccc(Cl)s1 810553385 GVWFSSFUUPCZSH-UHFFFAOYSA-N 290.771 3.669 30 20 CHED CC#CCCOC(=O)c1c(F)cc(C(F)(F)F)cc1F 811418090 DZQAGLFOJMYKKG-UHFFFAOYSA-N 292.203 3.554 30 20 CHED C#C[C@H](N[C@H]1CCC[C@@H](OC)C1)c1ccc(Cl)cc1 811517513 UQWCWSLQLQSNJA-XHSDSOJGSA-N 277.795 3.562 30 20 CHED N#Cc1c(F)cccc1/C=C1/Cc2cc(F)ccc2C1=O 811690941 HSHNDSSAYZQWMZ-SDQBBNPISA-N 281.261 3.659 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 811998129 URXQFGKAYUZCEB-IUODEOHRSA-N 292.810 3.700 30 20 CHED Cn1nc(-c2ccccc2)c(C=NOC2CCC2)c1Cl 812236480 MZZRTJWQUQHIBC-UHFFFAOYSA-N 289.766 3.644 30 20 CHED CC(C)OCCON=C[C@@H](C)c1cccc(Cl)c1 812237760 CZKMMBZFVJAKAV-GFCCVEGCSA-N 269.772 3.871 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1cc(C)c(C)o1 812242365 PORSDSYLJRMBTE-GQCTYLIASA-N 274.291 3.940 30 20 CHED C=CCN(CCC#N)C(=O)C[C@H](C)CCCCC 814134478 JHBZZKOZISKNCX-CQSZACIVSA-N 250.386 3.521 30 20 CHED FC(F)(F)OCC(=NOCCC1CC1)c1ccccc1 814247170 UOZIMNKPFYJOTH-UHFFFAOYSA-N 287.281 3.744 30 20 CHED C[C@@H]1C(=NN[C@H]2CCCC2(C)C)CC[C@@H](C(=O)O)C1(C)C 814917774 QUIOPWRFWQOSNG-DYEKYZERSA-N 294.439 3.668 30 20 CHED C=CCNN=C(C)c1sc(-c2ccc(F)cc2)nc1C 814928050 TYZHCCOHCHTBKP-UHFFFAOYSA-N 289.379 3.757 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 815004291 DAMCYULQPBGEPU-YNEHKIRRSA-N 271.351 3.625 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1C1CCCCC1 815064111 MWSWSCSYOAIVKJ-CYBMUJFWSA-N 271.351 3.769 30 20 CHED CC(C)(CC(=O)OCc1ccc(F)c(C#N)c1)C1CC1 815468442 YMXMAWFDFNWBAD-UHFFFAOYSA-N 275.323 3.567 30 20 CHED C#Cc1cccc(N(C(=O)C(F)(F)CC=C)C(C)C)c1 815604624 VQMAFBHQIGDSMN-UHFFFAOYSA-N 277.314 3.621 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OC(C)C)c(OC)c1 816131261 OEWMLVUCZXMUHD-UHFFFAOYSA-N 299.317 3.632 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(CC(C)C)CC1 819383953 QCCDMDDEPOUNIR-UHFFFAOYSA-N 251.414 3.873 30 20 CHED C#C[C@@H](OC(=O)C(C)(C)C(=C)C)c1ccc(F)cc1 821398949 VVCZMISZNQJRRR-CQSZACIVSA-N 260.308 3.646 30 20 CHED C=CCN(C(=O)Nc1cccc(C)c1Cl)[C@H](C)COC 821514848 JPYHDJHYWKUAAP-GFCCVEGCSA-N 296.798 3.703 30 20 CHED Cc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1O 822526027 PSOOSBLZISQSCU-AWEZNQCLSA-N 280.371 3.765 30 20 CHED CC(C(=O)Nc1ccc(Cl)c(C#N)c1)=C1CCC1 824483686 RPIDBGYOUYZSDO-UHFFFAOYSA-N 260.724 3.651 30 20 CHED CCC(F)(F)C(=O)Nc1ccccc1SC[C@H](C)C#N 826877157 BGVFZSOTFXGTAE-SNVBAGLBSA-N 298.358 3.922 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 828795718 XAQNDQIKIGAQRH-ISTRZQFTSA-N 289.806 3.813 30 20 CHED C#Cc1cccc(CN[C@@H](c2ccc(F)cn2)C(C)C)c1 834902029 CXRWJXJTPFPVKD-GOSISDBHSA-N 282.362 3.689 30 20 CHED CC(Cc1coc2ccccc12)=NO[C@H]1CCCCO1 834965827 ABIQKQGDJMBQNI-INIZCTEOSA-N 273.332 3.894 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)[C@H](C#N)c1nc(C)cs1 835035700 HWGMVEWEGMGAKE-BDAKNGLRSA-N 290.310 3.606 30 20 CHED CC/C(C)=C\C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 835200640 NHIRTUQVPFOJLA-SDKXAQGSSA-N 262.378 3.799 30 20 CHED C=C[C@](C)(CCOC)COC(=O)C1=CC[C@@H](C)CC1 835336970 KYMMLRAVKATKIX-CZUORRHYSA-N 266.381 3.505 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 837679229 LXGUWNTWLAWPHM-UHFFFAOYSA-N 298.386 3.724 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)OCCC(C)(C)C#N 837832039 LSFNLLNKDMQKCP-STQMWFEESA-N 251.370 3.686 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)OCCCC(C)(C)C#N 837846591 OEZFQCWJZDPPNA-QWHCGFSZSA-N 251.370 3.686 30 20 CHED CC[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1ccncc1 839005143 NTSDALDANNBKJQ-QGZVFWFLSA-N 294.354 3.580 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(C)nc1Br 839324533 IWCZMJNSMDQSNE-UHFFFAOYSA-N 298.180 3.660 30 20 CHED N#CC1(CCN2CC[C@H](C(F)(F)F)C2)CCCCC1 839533154 FVFRHCSRCNZVNX-LBPRGKRZSA-N 274.330 3.735 30 20 CHED C#CCCCCCC(=O)N[C@H](CC=C)Cc1ccccc1 839891412 ORWACVHCFGENHQ-GOSISDBHSA-N 283.415 3.874 30 20 CHED Cc1cncc(/C=C\C(=O)OCCC2(C#N)CCCCC2)c1 840336963 OSQGKQBPCNYYMN-WAYWQWQTSA-N 298.386 3.811 30 20 CHED C#CCCCCC(=O)Oc1ccc(Cl)c(F)c1F 841315789 ICRPRWDLAWTUBO-UHFFFAOYSA-N 272.678 3.717 30 20 CHED CCC/C(C)=C\C(=O)N[C@H]1CCCc2cc(C#N)ccc21 841370026 KXWIMDLRVCQYEF-QFSNBGPKSA-N 282.387 3.798 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 841484018 QBFYDVVAMZAHHA-QWHCGFSZSA-N 268.470 3.584 30 20 CHED CCC(=NNc1oc(C(C)(C)C)nc1C#N)[C@@H]1C[C@H]1C 841621781 FVUSDSZHGUVFTM-NXEZZACHSA-N 274.368 3.678 30 20 CHED C[C@@H](O)CN(C)N=C(CC(C)(C)C)c1ccc(Cl)cc1 841650611 GURSCMOHVYBBDT-GFCCVEGCSA-N 296.842 3.793 30 20 CHED CC[C@H](CC1CCCC1)C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 842285001 ORPOSUJKWWEGLQ-CVEARBPZSA-N 299.418 3.876 30 20 CHED C=C[C@H](C)ON=C(Cc1cccc(OC)c1)C1CC1 844621958 QMUWCJYPTMJAKT-LBPRGKRZSA-N 259.349 3.595 30 20 CHED Cc1c(NN=C2CCCC23CCC3)cccc1C(=O)O 844623314 LPXBPWIWHWVVFH-UHFFFAOYSA-N 272.348 3.815 30 20 CHED C=C[C@@H](C)ON=Cc1ccc(OC(F)F)c(OCC)c1 844624989 PFYMMZYZTIHQTM-SNVBAGLBSA-N 285.290 3.612 30 20 CHED C=C(C)CONC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 846539492 YAAXWKPWRLOPFI-IAGOWNOFSA-N 281.355 3.567 30 20 CHED C=C[C@@H](OC(=O)c1cn(C(C)C)nc1C)C(C)(C)C 847703990 NZDDFSUPIWCVDE-CYBMUJFWSA-N 264.369 3.530 30 20 CHED O=C(CC[C@@H]1CC1(Cl)Cl)OCC#Cc1ccccc1 849876173 OGONIRYDDXLJQY-CYBMUJFWSA-N 297.181 3.555 30 20 CHED C#Cc1cccc(NCc2ccc(O[C@H](C)COC)cc2)c1 850236878 UFMLSZMXEBMJQV-OAHLLOKOSA-N 295.382 3.694 30 20 CHED Cc1ccccc1OC(=O)CC1(C#N)CCCCC1 850743564 VYKMKCXRDABFFF-UHFFFAOYSA-N 257.333 3.765 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1nc(C)oc1C 851142153 GJLJWMMSNVYPKY-CHWSQXEVSA-N 263.337 3.583 30 20 CHED Cc1cccc(NN=Cc2ccc(O[C@H]3CCOC3)cc2)c1 853257958 FXEIVRNWEIQOEF-SFHVURJKSA-N 296.370 3.609 30 20 CHED Cn1ncc(C2CC2)c1C=NNc1ccc(Cl)c(F)c1 853314398 OSCSZLLHSQEGNP-UHFFFAOYSA-N 292.745 3.536 30 20 CHED Cc1ccc(-c2nc(C=NN3CCCC[C@H]3C)co2)cc1 853380210 QGWFXIQVOXOPKZ-CQSZACIVSA-N 283.375 3.858 30 20 CHED CC(=NOCC1(CC#N)CC1)c1cc2ccccc2o1 853643811 QFSWJCVCCQMQLA-UHFFFAOYSA-N 268.316 3.867 30 20 CHED Cc1cc(C)c2c(c1)CCC2=NNc1ncc(Cl)cn1 857220547 KMOHNOIKIVBAAA-UHFFFAOYSA-N 286.766 3.509 30 20 CHED CSc1ccc(/C=C/C(=O)OCCC(C)(C)C#N)s1 860290186 PWUWVRZFBOJDBH-GQCTYLIASA-N 295.429 3.966 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)O[C@@H](C#N)C(C)(C)C 860646340 FXWPCWHLJWCLGB-HIFRSBDPSA-N 273.376 3.655 30 20 CHED N#CCC1(OC(=O)CCc2ccc(Cl)c(F)c2)CCC1 860745572 QTYIDRHPYKHHAN-UHFFFAOYSA-N 295.741 3.791 30 20 CHED CCC[C@@H](C=NNc1nc2ccccc2[nH]c1=S)OC 863125155 OGGPTYXSPJSTCT-JTQLQIEISA-N 290.392 3.505 30 20 CHED N#C[C@@H]1CC[C@H](n2cc(-c3ccc(Cl)cc3F)nn2)C1 863850888 MCCDTLNBJXHTJL-KOLCDFICSA-N 290.729 3.602 30 20 CHED CSc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)co1 869773581 WHUFUMYFCGHGFM-LBPRGKRZSA-N 279.361 3.631 30 20 CHED C=CC(C)(C)CC(=O)N(OC)[C@@H](C)c1csc(C)n1 880185644 XIWCSNFRXYDLOO-JTQLQIEISA-N 282.409 3.505 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2-c2noc(C)n2)CC1 888196318 BNCCVHVJVZSJQA-UHFFFAOYSA-N 297.358 3.730 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(C)c1snc(C)c1C#N 891427084 YAFHHZFHUOUUNE-NEPJUHHUSA-N 291.420 3.502 30 20 CHED CCCCC[C@@H](C)CC(=O)N(CC#N)c1ccccn1 892471612 UJBGOSMCNMMEHR-CQSZACIVSA-N 273.380 3.545 30 20 CHED Cc1cc(F)ncc1/C=C/C(=O)c1coc(C(C)C)n1 899370148 ACTNJTFHDAJYIW-SNAWJCMRSA-N 274.295 3.537 30 20 CHED Cn1cc(/C=C2/CCc3c(F)cccc3C2=O)c(C2CC2)n1 899389354 HPFOMCYKMMFCQX-XFXZXTDPSA-N 296.345 3.649 30 20 CHED Cc1ccc(SCCCCC2(C#N)CCC2)nn1 901496952 LQEHIRUEFQATOO-UHFFFAOYSA-N 261.394 3.741 30 20 CHED CCCCN(C)C(=O)CSCCCCC1(C#N)CCC1 901537038 XXIKIENIUOMRIM-UHFFFAOYSA-N 296.480 3.842 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cccc(C#N)c1 902843295 NTJPYIXPURVNNG-XMTFNYHQSA-N 284.403 3.557 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1O 903106723 UORNFXABMBTXNE-MRVPVSSYSA-N 285.174 3.653 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc(C)cc2F)no1 903665083 PIQWEUQXUBYXSM-JSGCOSHPSA-N 288.322 3.633 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(Cl)nc1F 906771812 XRJFQCWKBGGJSA-UHFFFAOYSA-N 284.762 3.693 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1c(C)n[nH]c1C 910087274 OWXIIHUBVYTTRC-LLVKDONJSA-N 265.401 3.564 30 20 CHED N#CCCCCOC(=O)/C=C/c1ccc(Cl)cc1 912956605 NBCJOEVREGNCSR-RMKNXTFCSA-N 263.724 3.590 30 20 CHED CCCCCC(=NNc1ncccn1)c1ccccc1 912974073 JFFCCIZAJNNYDB-UHFFFAOYSA-N 268.364 3.873 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCC(C)(F)F 915826271 QVELBEXHUSTNDD-UHFFFAOYSA-N 284.302 3.765 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(OC(C)C)cc1 915985830 QKUSQEYFGWGDMD-MDZDMXLPSA-N 284.359 3.710 30 20 CHED COc1ccc(O)c(C(C)=NNc2ccc(F)cc2F)c1 916248026 FQPKALHKJVZDRK-UHFFFAOYSA-N 292.285 3.515 30 20 CHED COc1cc2c(cc1/C=C\C(=O)c1ccccc1)O[C@@H](C)C2 916545720 VJXBNVZKKUFLMB-YXVBKTCISA-N 294.350 3.915 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 917311373 ADHPLZZYBFRVFM-NSHDSACASA-N 268.740 3.535 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Nc1cnn(C)c1 918029212 DRLCWPCKQICPGN-ZDUSSCGKSA-N 280.416 3.538 30 20 CHED CCOc1cccc(C=NNc2cc(F)cc(F)c2)c1O 920376751 QPKREWVIJMWIQC-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C=CCN(CC=C)c1nc(C(F)(F)F)nc2ccccc12 920957474 GPNIBIWGQPKIQF-UHFFFAOYSA-N 293.292 3.827 30 20 CHED CS[C@@H]1CCC[C@H](NCC2CCC(C#N)CC2)C1 922095367 BGMZDEYWKZTRDE-PFSRBDOWSA-N 266.454 3.580 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCOc1ccc(F)cc1 924861806 RDCMZNVIOVHIPN-CYBMUJFWSA-N 278.371 3.513 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(C)nn1-c1ccc(C)cc1 1118797747 RIABWXDYQAUBFR-UHFFFAOYSA-N 298.390 3.529 30 20 CHED CCOc1ccc(Cl)cc1CN1CCC(CC#N)CC1 1139009776 SQOXPWZYHWBEAR-UHFFFAOYSA-N 292.810 3.864 30 20 CHED C#CCN(C)Cc1ccc2c(c1)c1ccccc1n2CC 1142859685 SHGLXEQKEGPHSW-UHFFFAOYSA-N 276.383 3.879 30 20 CHED C=C(Cl)CNC(=O)c1cc(C(F)(F)F)ccc1Cl 1147303669 ARCFXJAGZMHZKX-UHFFFAOYSA-N 298.091 3.841 30 20 CHED CNc1ccccc1CNc1cc(C#N)ccc1OC(C)C 1178901332 PGZMGTCUNVUVKW-UHFFFAOYSA-N 295.386 3.999 30 20 CHED COc1ccc(C#N)cc1NC(=O)N(C)c1ccc(C)cc1 1199260473 GPSBWGBPAANJTQ-UHFFFAOYSA-N 295.342 3.544 30 20 CHED CC[C@H](NC(=O)Nc1ccnc(C#N)c1)c1ccc(C)cc1 1208085331 HPDKVSXESBQZGK-INIZCTEOSA-N 294.358 3.535 30 20 CHED C=C(C)CCC(=O)Nc1ccc(C(=O)C(F)(F)F)cc1 1262789335 DRJNLRAONLOJHT-UHFFFAOYSA-N 285.265 3.726 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCCC(F)(F)C1 1262809774 PKQZTRQGQQEUTM-CHWSQXEVSA-N 271.351 3.769 30 20 CHED CC(C)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1310605653 VBGVKWQAQQNIKT-UHFFFAOYSA-N 295.342 3.880 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(-c2ccccc2)s1 1320930880 QJJPMIXGUIXGSP-GFCCVEGCSA-N 269.369 3.509 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC(C2CCCC2)CC1 1321269627 WXLRYDFFWSBBMJ-UHFFFAOYSA-N 296.414 3.909 30 20 CHED COc1ccc(C(C)=NOC(C)(C)C)c(C)c1OC 1321817856 CHVFDTGLAPEHKR-UHFFFAOYSA-N 265.353 3.551 30 20 CHED CCOc1c(Cl)cc(C=NOC(C)(C)C)cc1OC 1323130677 CPCLQWKVEQOGHG-UHFFFAOYSA-N 285.771 3.896 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1csc(C#N)c1)C1CC1 1325105330 YXSCWIMHWIJUGI-MNOVXSKESA-N 276.405 3.659 30 20 CHED C[C@H](OC(=O)CC1(C#N)CCCCC1)C(=O)c1ccccc1 1327237919 QCJGVDZTHSILHT-AWEZNQCLSA-N 299.370 3.665 30 20 CHED C=CCOc1ccc(-c2nnc(C3CCC3)o2)cc1OC 1328324801 MIXOHFQWIHJWLO-UHFFFAOYSA-N 286.331 3.578 30 20 CHED C=C(CNCc1ccc2c(c1)CCC2)c1ccccc1 1329738690 OURVUVORODBBAV-UHFFFAOYSA-N 263.384 3.978 30 20 CHED COc1cccc([C@@H]2CCCN2CC2(CC#N)CC2)c1 1330657968 RIPDEILPLSWLLP-INIZCTEOSA-N 270.376 3.526 30 20 CHED C=C(C)CCC(=O)Nc1ccc(F)cc1NC1CC1 1337131943 HBBZIBMCTUAEKW-UHFFFAOYSA-N 262.328 3.695 30 20 CHED C=C(C)CCC(=O)Nc1cc(-c2ccnn2C)ccc1C 1337256368 DMDVNMBHMGINKB-UHFFFAOYSA-N 283.375 3.690 30 20 CHED Cc1ccc(F)c(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 1347975065 RYFAYRTVYMZYPB-CYBMUJFWSA-N 296.345 3.823 30 20 CHED C=CCC(F)(F)C(=O)O[C@H]1c2ccccc2OC[C@@H]1C 1348274305 APGRVDPXBJQEJQ-GXFFZTMASA-N 282.286 3.511 30 20 CHED C=C(CC(C)C)C(=O)N1CC2(CCC2)[C@H]1c1cccnc1 1352412181 CPQDZQOMYSKPLI-MRXNPFEDSA-N 284.403 3.738 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(c2cccc(N)c2)CC1 1353918515 QMHPLLQWPLLRNK-AWEZNQCLSA-N 286.419 3.577 30 20 CHED COc1cc(C#N)ccc1Oc1ncnc2scc(C)c12 1472636443 DTTNHOKFMGHGDY-UHFFFAOYSA-N 297.339 3.672 30 20 CHED Cc1csc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1 1518199039 ISTWKROLWPDVDS-NSHDSACASA-N 271.341 3.846 30 20 CHED C=C(C)CCC(=O)O[C@@H]1CCO[C@H](c2ccccc2)C1 1519944892 CZEQEWPFCLSVHE-CVEARBPZSA-N 274.360 3.806 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)C(C)(C)c1ccccc1 1531498848 URSZTWNUIMSGTI-UHFFFAOYSA-N 292.382 3.874 30 20 CHED CCCOc1ccc(NC(=O)c2cc(C#N)ccc2C)cc1 1535542208 SAWJSDRHVLMETQ-UHFFFAOYSA-N 294.354 3.908 30 20 CHED Cc1cc(NC(=O)c2cccc(CC#N)c2)ccc1Cl 1537688883 UUGZYXKJFUVKIS-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C=C1CCC(C(=O)N2CCCNc3ccccc32)CC1 1574860402 YQOVQUIEWVTGAG-UHFFFAOYSA-N 270.376 3.582 30 20 CHED CCCCCCCCC(=O)N[C@]1(C(=O)O)CC[C@@H](C)CC1 1595705257 SXAPEQTVJPSNNL-CZIWCDLHSA-N 297.439 3.887 30 20 CHED O=C(O)c1ccc(Cl)c(/C=C/C(=O)c2ccsc2)c1 1602358815 NCPHPERENRQOQJ-DUXPYHPUSA-N 292.743 3.996 30 20 CHED N#CC1CCC(COc2ccc(C(=O)O)cc2Cl)CC1 1608179393 VLXYTJZMDLUQEY-UHFFFAOYSA-N 293.750 3.747 30 20 CHED Cc1ccc2sc(N(C)C[C@@H](C)C#N)nc2c1C 1639276498 QYOPLTAVZPSHRW-VIFPVBQESA-N 259.378 3.509 30 20 CHED CC(C)C1CCC(CNc2ncc(C#N)cc2F)CC1 1642417034 IXTPUDYBRMIVIN-UHFFFAOYSA-N 275.371 3.967 30 20 CHED COc1ccc(C[C@@H](C)CNc2cc(C)c(C#N)cn2)cc1 1642518841 GSZXRJVMZXOMPQ-CYBMUJFWSA-N 295.386 3.561 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCCc1ccc(C#N)cc1)C2 1653362475 IAXJMROEYLGFNM-LNLFQRSKSA-N 282.431 3.905 30 20 CHED Cc1ccc(CN(CC(C)C)c2cncc(C#N)n2)c(C)c1 1655598370 LSYDSVSTZBGLRG-UHFFFAOYSA-N 294.402 3.628 30 20 CHED COc1cc(C#N)ccc1CN1CCCCc2ccccc21 1657579691 GGBJBBJAVHJSLX-UHFFFAOYSA-N 292.382 3.910 30 20 CHED COc1ccc(C[C@H]2CCCCN2CC2(CC#N)CC2)cc1 1659318282 LZBAIWDUNRBXRO-QGZVFWFLSA-N 298.430 3.786 30 20 CHED Cc1csc(NC(=O)NCC23CCC(CC2)C3)c1C#N 1661564533 WCLXZDHWNRZFRX-UHFFFAOYSA-N 289.404 3.630 30 20 CHED CO[C@@H](CNCc1ccc(C#N)c(Cl)c1)C1CCCC1 1664435997 ZERFCXNDQSCHAA-INIZCTEOSA-N 292.810 3.506 30 20 CHED N#Cc1cc(NC(=O)N[C@H]2CCCCC23CCCC3)ccn1 1673980708 MXPALCZMZUHVRL-HNNXBMFYSA-N 298.390 3.578 30 20 CHED Cc1c(NN=C[C@@H]2CCCC[C@H]2C)cccc1C(=O)O 1776087553 ITRDQCVOXJWDKH-YPMHNXCESA-N 274.364 3.917 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1ccc(C2CC2)c(C2CC2)c1 1776148314 IQERLPYXJRCBFE-INIZCTEOSA-N 299.414 3.950 30 20 CHED C=CCCCCCCCCNc1ccc(C(=O)O)nn1 1776207926 JTUFDRGDNPCRDU-UHFFFAOYSA-N 277.368 3.503 30 20 CHED Cc1ccccc1CSCC(=O)Nc1cccc(C#N)c1 3380451 IEQSKXSBTZTICC-UHFFFAOYSA-N 296.395 3.739 30 20 CHED C=CCSCC(=O)Nc1ccc(Cl)cc1Cl 6761221 RVXPKWJOCUJULG-UHFFFAOYSA-N 276.188 3.851 30 20 CHED CC(C)Cc1ccc(CC(=O)Nc2cccc(C#N)c2)cc1 11372787 YQONVMFMEAWERS-UHFFFAOYSA-N 292.382 3.938 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)s1 32531698 ZNTUNGCKZMYALL-GQCTYLIASA-N 289.312 3.566 30 20 CHED N#Cc1ccc(OCCCOc2cccc(F)c2)cc1 34675002 UPMAMFGROMOZBU-UHFFFAOYSA-N 271.291 3.545 30 20 CHED C[C@H]1CCCC[C@@H]1CNCc1ccc(C#N)cc1F 42862843 RLWPUIVMRUFGDH-GXTWGEPZSA-N 260.356 3.613 30 20 CHED CCC[C@H](C)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 48474354 SALVOQKEJRLCPN-JTQLQIEISA-N 279.771 3.864 30 20 CHED C[C@H](Nc1cccc(Cl)c1C#N)c1ccccn1 48936034 YDICXHACSXEELF-JTQLQIEISA-N 257.724 3.780 30 20 CHED N#Cc1ccc(CNCc2cccc(Cl)c2)c(F)c1 51770463 IYCGBOGSTAVGDW-UHFFFAOYSA-N 274.726 3.641 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 55352782 JAEKKVCLMLKWSF-KRWDZBQOSA-N 276.339 3.617 30 20 CHED C=CCN(Cc1ccccc1F)C[C@H](O)c1ccccc1 56312467 HQTOPBSIRQBKIV-SFHVURJKSA-N 285.362 3.547 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2C#N)C1(C)C 57985693 JIZDQGLPEMCOHZ-HIFRSBDPSA-N 268.360 3.735 30 20 CHED CCN(C(=O)CCc1ccco1)[C@@H](C)c1ccc(C#N)cc1 58712857 MQVMFPAAZYDDDP-AWEZNQCLSA-N 296.370 3.694 30 20 CHED N#Cc1ccccc1OCCN1CCSc2ccccc21 60461138 RWYXRGCCOGGKLJ-UHFFFAOYSA-N 296.395 3.549 30 20 CHED Cc1nc(CNc2ccc(C#N)cc2Cl)cs1 62791038 CDYQPYUABAXNRT-UHFFFAOYSA-N 263.753 3.589 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C/c1cccc(O)c1)C2=O 63411699 PUTRJTISMPYPHK-ZSOIEALJSA-N 280.323 3.668 30 20 CHED N#Cc1ccc(NCc2ccc(N3CCCC3)cc2)c(F)c1 63508719 ZHUXLUFNXZTNSV-UHFFFAOYSA-N 295.361 3.910 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 73481244 YRXSXDOTNLWLSK-KBXCAEBGSA-N 275.351 3.681 30 20 CHED CC[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 75275900 ULCOLPFSJFEPMJ-KDOFPFPSSA-N 292.382 3.929 30 20 CHED Cc1cc([C@@H](C)Nc2c(C#N)nnc3ccccc23)c(C)o1 76324395 JLYORSQHFWKELH-LLVKDONJSA-N 292.342 3.884 30 20 CHED Cc1ccc(F)cc1NC(=O)N(CCC#N)CCC(C)C 78453640 SCZOWVBKNNTBGW-UHFFFAOYSA-N 291.370 3.928 30 20 CHED CCCc1nc(CNc2ccc(C#N)cc2)cs1 78792879 NDGNQSCWHRPFSV-UHFFFAOYSA-N 257.362 3.579 30 20 CHED CCN(CCC#N)[C@@H](C)c1ccc(OC(F)F)cc1 81040649 OSTCQQVSKLNZEE-NSHDSACASA-N 268.307 3.585 30 20 CHED CSc1cccc(N(C)C(=O)c2cc(C#N)cs2)c1 84092473 DRZGMIVQCYHGMH-UHFFFAOYSA-N 288.397 3.618 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(C#N)cs2)C(C)C)c1 84095987 AJOBVAUHMSVJSC-UHFFFAOYSA-N 294.379 3.656 30 20 CHED C[C@H]1CC(NCc2ccc(OCC#N)cc2)C[C@H](C)C1 84974402 OITGUHBZYNXXHR-ZIAGYGMSSA-N 272.392 3.503 30 20 CHED CC[C@H](CC#N)NCc1ccc(Br)c(C)c1 85706933 GSABTLCYLKDRIJ-GFCCVEGCSA-N 281.197 3.539 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1ccccc1[N+](=O)[O-] 88154164 QEUQEYGDKYHGIT-UHFFFAOYSA-N 282.299 3.662 30 20 CHED N#Cc1ccc(N[C@@H]2CCCCC[C@H]2O)cc1C(F)(F)F 88191421 MNVDLOBINXRCMU-ZIAGYGMSSA-N 298.308 3.683 30 20 CHED N#CCCCOc1cccc(CN(CC#N)C2CCCC2)c1 93563213 GXSHZNVMUMUNNK-UHFFFAOYSA-N 297.402 3.637 30 20 CHED CCCCOc1cccc(CNc2cnccc2C#N)c1 94137597 NLVOEAWLGAAWAC-UHFFFAOYSA-N 281.359 3.744 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(OC)c(O)c2)s1 96891626 LVNWHOOALOKVRZ-DAXSKMNVSA-N 288.368 3.921 30 20 CHED CCCCCC(=O)Nc1cc(C#N)ccc1OC(F)F 102746834 MNKNDYMPIQLLMV-UHFFFAOYSA-N 282.290 3.678 30 20 CHED C=C(Cl)COC(=O)c1nc(-c2ccccc2)oc1C 104774047 CQQNFONXUNVJFD-UHFFFAOYSA-N 277.707 3.559 30 20 CHED N#Cc1ccc2[nH]c(-c3cccc(Br)c3)nc2c1 105668475 FUMCPQKJPRLWHH-UHFFFAOYSA-N 298.143 3.864 30 20 CHED CCCC(C#N)(CCC)NC(=O)C1CCCCC1 106422140 CQDYEYPAPQPBFS-UHFFFAOYSA-N 250.386 3.545 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1sccc1C 106422571 USIAMGSOBKYVJZ-UHFFFAOYSA-N 264.394 3.649 30 20 CHED CN(CCc1ccccc1)c1c(F)cc(C#N)cc1F 111143426 IAPQDSCBTDLTEY-UHFFFAOYSA-N 272.298 3.515 30 20 CHED Cc1ccc(C)c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 116804406 FLEDJHPFDDFEOS-SUMWQHHRSA-N 270.376 3.506 30 20 CHED C[C@H](NC[C@@]1(C)CCCS1)c1ccc(OCC#N)cc1 122068838 FJHKHFCCYGWQBV-XJKSGUPXSA-N 290.432 3.525 30 20 CHED Cc1ccc(C)c(NC(=O)COc2cc(C#N)ccc2C)c1 123045502 HPGISYUENBQKSX-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2C[C@]2(C)CC)s1 123499038 PCAUZHJHDNBDJL-RISCZKNCSA-N 262.378 3.557 30 20 CHED C[C@H](NC[C@@H](C)C(C)(C)C)c1ccc(OCC#N)cc1 125231641 QDWZBYYXKAFTBW-KGLIPLIRSA-N 274.408 3.922 30 20 CHED C[C@H]1C[C@H](C)N(c2ccc(C(F)(F)F)cc2C#N)C1 133206473 HGLIWFHARHHYNO-UWVGGRQHSA-N 268.282 3.812 30 20 CHED C=C(C)COc1cc(CN(CC)C2CC2)ccc1OC 133336391 HEIWDENTBDFIEO-UHFFFAOYSA-N 275.392 3.634 30 20 CHED CC(C)N(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 134977975 FOTHVNJZZBGQQG-LBPRGKRZSA-N 291.420 3.953 30 20 CHED Cc1ccccc1[C@H](C)NCc1ccc(C#N)s1 135667869 WSORZKSBFCVGCI-LBPRGKRZSA-N 256.374 3.779 30 20 CHED O=C(/C=C/c1cc2ccccc2o1)c1cc(O)cc(O)c1 152690788 CTYOTAGHHDDVEY-AATRIKPKSA-N 280.279 3.740 30 20 CHED C=CCCCCCN(C)C(=O)c1c(F)ccc(F)c1OC 152700446 VKYJJIFGPVHDAZ-UHFFFAOYSA-N 297.345 3.792 30 20 CHED C=CCC[C@H](NC(=O)N1CCCCC1)c1ccccc1 153297827 LEYXCRNTTGJGAD-INIZCTEOSA-N 272.392 3.889 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCCO1 154040900 ZBFLCEGRFPLQBA-NOZJJQNGSA-N 284.281 3.556 30 20 CHED C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(C#N)cc1 154340393 HOMJNINMLWUJEH-RYUDHWBXSA-N 269.323 3.504 30 20 CHED Cn1cc(CCC(=O)O[C@@H](C#N)C(C)(C)C)c2ccccc21 154416113 NKRZHRZXBIPNST-INIZCTEOSA-N 298.386 3.592 30 20 CHED Cc1nnc(N[C@@H]2CC(C)(C)c3ccccc32)c(C#N)c1C 154871306 ACPSFLXDCHZPSZ-MRXNPFEDSA-N 292.386 3.800 30 20 CHED CCC1(CNC(=O)c2c(F)cc(C#N)cc2F)CCCC1 154923780 DOMUJOYPQVADEU-UHFFFAOYSA-N 292.329 3.537 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1C=CCCC1 157801774 NJXZJEPPLHWBLA-CQSZACIVSA-N 299.374 3.576 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 160985043 LIHHIZMPUZBBEE-SJORKVTESA-N 265.356 3.636 30 20 CHED N#CCOc1cccc(NCc2cccc(Cl)c2O)c1 164985568 ADCHHVUIHXKUPT-UHFFFAOYSA-N 288.734 3.560 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)NCCCCC#N 172128336 UMANQHGFJFATEK-OAHLLOKOSA-N 264.413 3.793 30 20 CHED CCN(C(=O)CCc1cccs1)c1ccc(C#N)cc1 174071885 RGIJWBYPOHNQQP-UHFFFAOYSA-N 284.384 3.605 30 20 CHED C/C(=C\C(=O)O[C@H](C#N)C(C)C)c1ccccc1Cl 176788026 SWJSBOZKLWBNLX-BMGYJQCNSA-N 277.751 3.835 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)s1 176957571 XAWXHIZCJRJWRV-OAHLLOKOSA-N 272.348 3.536 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cc(F)cc(F)c1 181118153 FXGFIZXNGNOCBK-LLVKDONJSA-N 288.297 3.868 30 20 CHED Cc1nc(C)c(C#N)c(SCc2c(F)cccc2F)n1 182686725 ZQOVIUXWEOMALZ-UHFFFAOYSA-N 291.326 3.536 30 20 CHED C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H](C)c1ccccc1 185851441 YVLSJZDNWADSRB-QSJFSLAZSA-N 256.393 3.851 30 20 CHED C=C(C)[C@@H](NC[C@H](C#N)CCC#N)c1ccc(F)c(F)c1 187769421 ZUOUTHKKPHWCQN-BLLLJJGKSA-N 289.329 3.615 30 20 CHED COc1cc(OC)c(N[C@H]2CCC[C@H](C#N)C2)cc1Cl 193072492 PRPVCEGGSXQBRA-QWRGUYRKSA-N 294.782 3.851 30 20 CHED COc1cc(OC)c(N[C@H]2CCC[C@@H](C#N)C2)cc1Cl 193072523 PRPVCEGGSXQBRA-MNOVXSKESA-N 294.782 3.851 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc2c(c1)CCCC2 204319205 QTOAIMJWUYWEEV-YFHOEESVSA-N 263.340 3.857 30 20 CHED COc1cccc(Cl)c1CNc1ccc(F)cc1C#N 228746801 GKRBLMBFEFGCDR-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@@H]1CC[C@H](CNC2CC(C#N)(c3ccccc3)C2)C1 230410362 IJUBDWDBBKCFBP-WWXIPJKBSA-N 268.404 3.636 30 20 CHED N#CCc1ccc(NCc2c[nH]nc2-c2ccccc2)cc1 237834542 IXMXQQKKPKVNNU-UHFFFAOYSA-N 288.354 3.755 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2C2CCC2)cc1 245558399 KTCHNMRKRIKROV-KSSFIOAISA-N 284.403 3.742 30 20 CHED C=CCN(C(=O)Cc1cccc(F)c1)c1ccccc1 247972801 DVHCHOCJPYUEEP-UHFFFAOYSA-N 269.319 3.587 30 20 CHED N#C[C@H](C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1nc2ccccc2[nH]1 249529466 XBGUJFXDTZYFEB-XDQVBPFNSA-N 293.370 3.565 30 20 CHED COCc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1 255065034 FEKFNIRKOJXOGU-OVCLIPMQSA-N 282.314 3.795 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1ccc(Cl)cc1 255169370 UWUXIRRXHITKJD-FPLPWBNLSA-N 261.708 3.841 30 20 CHED COc1cccc(C=Nc2cc(F)c(F)c(F)c2)c1O 255265704 IODOXTPWAYXCJR-UHFFFAOYSA-N 281.233 3.569 30 20 CHED Oc1nc2ccccc2cc1C=Nc1ccccc1F 255567687 NTWVZVXSWQYJQB-UHFFFAOYSA-N 266.275 3.830 30 20 CHED C=CCCC(=O)N(CC)Cc1cccc(Br)c1 263644186 DQKBRUZTMDQRDU-UHFFFAOYSA-N 296.208 3.764 30 20 CHED CCc1ccsc1C(=O)N(CCC#N)CC(C)(C)C 264285422 PPGGWCNSFYLCOT-UHFFFAOYSA-N 278.421 3.712 30 20 CHED Cc1noc(C)c1C[C@H](C)Nc1ccc(C#N)c(Cl)c1 265541141 DLSFGSZVSIWNHT-VIFPVBQESA-N 289.766 3.860 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 265574282 BLUXKLNDIKVAAN-BBRMVZONSA-N 270.376 3.599 30 20 CHED C#CCN(CC)C(=O)Nc1ccccc1CCC(F)(F)F 268102153 DXESECYIIXHFTR-UHFFFAOYSA-N 298.308 3.669 30 20 CHED CC(C)c1ccc(CNc2nccc(C#N)c2[N+](=O)[O-])cc1 268458899 HICWQRFNUSEDKO-UHFFFAOYSA-N 296.330 3.597 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)NCCCCC#N 268834087 CZYYSZAKWMJBEB-GFCCVEGCSA-N 284.325 3.920 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 270312134 HNYHJMYOXFFUPF-MRXNPFEDSA-N 284.403 3.651 30 20 CHED C#CCCCCC(=O)N(CCc1ccc(F)cc1)C1CC1 271428682 NMKFTVPUDGIOKD-UHFFFAOYSA-N 287.378 3.553 30 20 CHED C#CCN(CC)C(=O)Nc1sc(-c2ccccc2)nc1C 273096303 JIHRSJGZESHIGT-UHFFFAOYSA-N 299.399 3.606 30 20 CHED CC(C)(C#N)CCCCn1cccc(C(F)(F)F)c1=O 277679347 LJUNMTDZAOLDSV-UHFFFAOYSA-N 286.297 3.587 30 20 CHED Cc1cscc1-c1noc(C2(C#N)CCCCC2)n1 277869618 FTHPBGSMMFRXJI-UHFFFAOYSA-N 273.361 3.832 30 20 CHED CC(C)n1ncnc1CS[C@@H](C)c1ccc(C#N)cc1 278576142 CWJYMSQPQWHGSP-LBPRGKRZSA-N 286.404 3.725 30 20 CHED C=CCCC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 280188822 MAMOFKJCLPRMED-UKRRQHHQSA-N 261.340 3.544 30 20 CHED CC(C)Oc1ccc(NCc2ccnn2C(C)C)cc1C#N 280268559 LUWHYSVMLNWLGW-UHFFFAOYSA-N 298.390 3.735 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 281091759 PDCWUBIGRVLGTC-TUAOUCFPSA-N 279.330 3.539 30 20 CHED C=CC[C@H](CC)NCc1c(C)nn(C(C)(C)C)c1C 281333554 SDKQQLVBLDPNEL-AWEZNQCLSA-N 263.429 3.699 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C2CC2)cnc1Cl 281465531 SXQZSKCHFZIXRZ-GFCCVEGCSA-N 278.783 3.697 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2csc(CC)n2)no1 289066453 YSTTZFFHDMCINR-AWEZNQCLSA-N 277.393 3.533 30 20 CHED Cc1ccccc1[C@@H](c1noc(C(C)(C)C#N)n1)C(C)C 289194217 SDOCYYNTVSARCV-AWEZNQCLSA-N 283.375 3.967 30 20 CHED CSC1(CNc2cccc(OCCCC#N)c2)CC1 289281852 ORPBRNJLBCLREE-UHFFFAOYSA-N 276.405 3.677 30 20 CHED CC(C)(C#N)Cc1nc(-c2ccccc2C(F)(F)F)no1 290207253 OEPRVJHACPXRPT-UHFFFAOYSA-N 295.264 3.848 30 20 CHED C#CCCCCC(=O)NCc1cccc(SCC)c1 292073545 IUKYBKVIRHBJNK-UHFFFAOYSA-N 275.417 3.608 30 20 CHED C=CC[C@H](C)NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 293000138 JCSDQFWDMRYTKW-HOCLYGCPSA-N 284.403 3.888 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCCOc2c(F)cccc21 293537155 RSKJITGCOAMVTM-AWEZNQCLSA-N 291.366 3.758 30 20 CHED CCN(CC#N)Cc1csc(-c2ccc(Cl)cc2)n1 299504822 CPAPKGQWAKXXTI-UHFFFAOYSA-N 291.807 3.809 30 20 CHED C[C@@](O)(CNc1ccc(Cl)cc1C#N)c1cccs1 301341101 GGIJJIKKNKDRAT-CQSZACIVSA-N 292.791 3.593 30 20 CHED N#Cc1ccccc1OC[C@@H]1CCCC(F)(F)C1 302330973 DBVDVYCJXTWJPP-LLVKDONJSA-N 251.276 3.763 30 20 CHED Cc1c(Nc2c(C#N)cccc2C#N)cnn1CCC(C)C 302881050 ITDJIRIMVWKSNV-UHFFFAOYSA-N 293.374 3.725 30 20 CHED CC(C)C[C@@H](C)Nc1ncc(Br)cc1C#N 309314080 OVUVYYSVLFOETA-SECBINFHSA-N 282.185 3.562 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(F)c2ccccc12 318493912 MEEHCEWTDXYDBL-UHFFFAOYSA-N 298.361 3.991 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2ccc3ncsc3c2)CCC1=O 328957470 ZQHOTSSVVWDDMH-VHSXEESVSA-N 288.372 3.890 30 20 CHED OC(=Nc1ccc2nc[nH]c2c1)c1coc(C2CCCC2)n1 329030687 AYANRGCLWAPWAR-UHFFFAOYSA-N 296.330 3.845 30 20 CHED Cc1cc(C/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)no1 329313441 GUBUADYPHWKTFL-ZFWWWQNUSA-N 276.380 3.698 30 20 CHED N#CC1(C(O)=Nc2csc(-c3ccccn3)n2)CCCC1 329466015 VUOPVPDCFGMXCJ-UHFFFAOYSA-N 298.371 3.877 30 20 CHED O/C(=N/[C@H]1CCCC(F)(F)C1)Nc1cc(C2CC2)ccn1 329554394 GSJQZZWGGTYLLE-LBPRGKRZSA-N 295.333 3.863 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/C1C[C@H](C)C[C@@H](C)C1 329789097 SGKPNIJKWVPJGN-NXEZZACHSA-N 276.380 3.990 30 20 CHED CC[C@@H](N/C(O)=N/CCC(C)(C)C)c1c(C)noc1C 330457589 HGNDKYRQCNNCLV-GFCCVEGCSA-N 281.400 3.682 30 20 CHED CC[C@H](/N=C(/O)Nc1cccc(F)c1C)C1CCOCC1 331022452 STVLBPMQIAVWBX-AWEZNQCLSA-N 294.370 3.665 30 20 CHED CC[C@H](C)/N=C(/O)Nc1ccc2nn(C(C)C)cc2c1 331024740 NZPOGZLQQLODAH-NSHDSACASA-N 274.368 3.742 30 20 CHED N#CCN(C(=O)[C@@H]1CCCc2sccc21)c1ccccc1 335735840 SKWKONRKQIKCSI-OAHLLOKOSA-N 296.395 3.725 30 20 CHED N#CCC1CCN(C(=O)Nc2cccc(C(F)F)c2)CC1 335802661 ZILDRQJFWPIKIB-UHFFFAOYSA-N 293.317 3.782 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccnc(C(F)(F)F)c1 339969625 WEDUTTHUHDICEA-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(OC2CCC2)cc1Cl 340241436 CWPDRXRDHUXLKR-JTQLQIEISA-N 279.767 3.576 30 20 CHED C=CCC(C)(C)C(=O)NCc1coc2ccccc12 340361478 KPTYRRHIVHWDPH-UHFFFAOYSA-N 257.333 3.651 30 20 CHED C[C@@H]1CCC[C@H](OCCCCCC(=O)NCCCC#N)C1 342621299 ARFXZBUCKANSKL-CVEARBPZSA-N 294.439 3.562 30 20 CHED N#CCC[C@@H](Nc1ccc(F)cn1)c1ccccc1 342786382 VNBRWNXUUSRDBG-CQSZACIVSA-N 255.296 3.678 30 20 CHED C[C@H](CCO)C1(CNc2ccc(C#N)c(Cl)c2)CCC1 342790463 RLVQXRCVIADXNB-GFCCVEGCSA-N 292.810 3.812 30 20 CHED N#Cc1cc(F)c(NCC2(C(F)(F)F)CCC2)c(F)c1 343940184 DIUZBDHPGQHFRC-UHFFFAOYSA-N 290.235 3.981 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccccc2CC#N)cn1 344382566 HLKANEOAVNCCKJ-UHFFFAOYSA-N 279.343 3.523 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccccc1Cl 352599021 XFNSYTFMWPWKCX-UHFFFAOYSA-N 289.762 3.804 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 352986389 HAWQEXPHXCOCHP-ZJUUUORDSA-N 276.311 3.507 30 20 CHED C=CCC[C@H](NCC1(C(F)F)CC1)c1ccco1 353604089 IEZGHUIXKTUOHG-NSHDSACASA-N 255.308 3.922 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)cc1 356883414 VDYQKYFFGAXZTC-OAHLLOKOSA-N 299.414 3.904 30 20 CHED N#Cc1c(COc2ccc3ncccc3c2)cn2ccccc12 356910184 XVIPFXVTBARMNY-UHFFFAOYSA-N 299.333 3.938 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn([C@@H](C)CC)c1C 361295742 QAYYNLOJDUXZNX-NHYWBVRUSA-N 263.385 3.703 30 20 CHED CCN(C(=O)CCCC#N)c1ccc(Cl)c(F)c1 362193161 YAHHEQVDEHQNCA-UHFFFAOYSA-N 268.719 3.526 30 20 CHED N#Cc1cnc(N2Cc3cccc(Cl)c3C2)c(Cl)c1 367286317 JRQTZOBLEJJLSB-UHFFFAOYSA-N 290.153 3.780 30 20 CHED N#C[C@@H]1N(C/C=C/c2ccccc2)CCC[C@]12CCCCO2 369294284 QENPOEDRMNPJMG-KKGKNSNXSA-N 296.414 3.627 30 20 CHED C#CC[C@H](NC(=O)N1CCC2(CCCC2)C1)c1ccccc1 378269066 IFPHVWABMNRHFF-KRWDZBQOSA-N 296.414 3.727 30 20 CHED C#C[C@@H](NCc1cc(Br)cs1)C(C)(C)C 380152816 YDTMFTFZNOIOPC-LLVKDONJSA-N 286.238 3.648 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCOc1ccc(C)cc1C 410125132 YZYQBQZBWXLRKI-MRXNPFEDSA-N 289.419 3.933 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2ccccc2c1 410139237 XJAWMJWQDCGDKL-MRXNPFEDSA-N 253.345 3.924 30 20 CHED C[C@]1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC=CCC1 410646307 YZGIVRISMMZZMW-ZBFHGGJFSA-N 288.778 3.767 30 20 CHED CC(C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412150452 CZUDXPXERUONOG-BPQIPLTHSA-N 296.414 3.556 30 20 CHED CCCN(CC#N)C(=O)c1[nH]c2c(Cl)cccc2c1C 413204148 OFEKWIUENPBLAT-UHFFFAOYSA-N 289.766 3.506 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)n2ccnc21 414305411 RSLYWWJKVHOKQX-UAGQMJEPSA-N 281.403 3.666 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](CC)Sc1ccccc1 415626399 HENOSEZVRURFPK-ZFWWWQNUSA-N 290.432 3.708 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(OC2CCC2)CC1 419303214 NWPOERNYHJVVFW-AWEZNQCLSA-N 284.403 3.653 30 20 CHED N#Cc1csc(CSCC2=CCCCC2)n1 419596591 NYTSDHUSLOTEIY-UHFFFAOYSA-N 250.392 3.748 30 20 CHED C=CC[C@@H](C)N[C@H](c1ccc(OC)cc1F)C1CC1 421844990 PIMIIMSZKJTDEG-BZNIZROVSA-N 263.356 3.840 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H](CCc2ccccc2)C(F)F)C1 424316659 BAIASMWWXSFIOC-ZNMIVQPWSA-N 278.346 3.535 30 20 CHED Cc1cccnc1[C@H]1CCC[C@H](N[C@@H]2CC[C@H](C#N)C2)C1 424322137 HXAMONOQLKGSJM-LUKYLMHMSA-N 283.419 3.698 30 20 CHED CS[C@H](C)CCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425123672 DSVLAWIJTCCOFA-OLZOCXBDSA-N 290.432 3.609 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425536046 DYYKRHNMZASFQM-CQSZACIVSA-N 299.418 3.863 30 20 CHED COc1ccc(CN(C)Cc2cccc(C)c2C)cc1C#N 428704948 BCLIYLUMSXJNSO-UHFFFAOYSA-N 294.398 3.816 30 20 CHED CCCN(CC#N)Cc1csc(Cl)c1Cl 432746288 ZJMZEKHMRVPPDL-UHFFFAOYSA-N 263.193 3.790 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](Cc1cccc(C)c1)C1CC1 436310538 RNOLOZBQQGFQOB-ZCNNSNEGSA-N 299.458 3.887 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cn(C)nc1-c1ccccc1 439364370 HRPJGHJGSMPUNM-AWEZNQCLSA-N 298.390 3.563 30 20 CHED CCc1cc(C#N)ccc1OCc1nc(C)c(C)s1 442090310 NBUXTBRKHYJJPG-UHFFFAOYSA-N 272.373 3.773 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(N[C@H]2CC[C@H](C#N)C2)c1 442853246 IZWKPWAAATZMEG-GJZGRUSLSA-N 280.375 3.593 30 20 CHED Cc1nc2ccc(N[C@H]3CC[C@H](C#N)C3)cc2s1 442856036 QUOWLBHGCHVVFA-QWRGUYRKSA-N 257.362 3.709 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccccc2C#N)c1 444740739 UAOFDAPOAQAMGB-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C=C(C)CN(C)[C@@H]1CCOc2ccc(Br)cc21 445890396 MZIYPRJWJLAMKC-CYBMUJFWSA-N 296.208 3.781 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C(C)=O)o1 446037726 QOTXAIJWPHZTFY-UHFFFAOYSA-N 289.375 3.691 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Oc1cccc(C)c1Cl 447796821 XTYBKBJVSXFOJL-CYBMUJFWSA-N 293.794 3.616 30 20 CHED C=C[C@H]1CCCCN1Cc1ncc(C(C)(C)C)s1 448351817 BHKWKIKDRQOMFB-LBPRGKRZSA-N 264.438 3.981 30 20 CHED CC1(C#N)CCC(NCCCc2ccccc2)CC1 449065786 WGEBHYTUYXEICV-UHFFFAOYSA-N 256.393 3.681 30 20 CHED CCOc1ccc([C@@H]2CCCN2CC2(C#N)CCC2)cc1 450219407 CZLOQCKUZLJKSY-KRWDZBQOSA-N 284.403 3.916 30 20 CHED N#Cc1ccc(NC[C@H]2CCOC3(CCC3)C2)cc1Cl 450721162 VOZRUFYEDCNTHX-LBPRGKRZSA-N 290.794 3.973 30 20 CHED COc1cc(C#N)cc(OCc2oc(C(C)C)nc2C)c1 450919626 PRZGIBKKZOWCFA-UHFFFAOYSA-N 286.331 3.566 30 20 CHED CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452659742 YQJFJSADSTZXRJ-NWDGAFQWSA-N 276.767 3.637 30 20 CHED C=C(C)CCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 453328249 WSTWGGFJLTXUCM-PBHICJAKSA-N 277.383 3.849 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2cc(Cl)ccc21 453349406 LCZIZJUDZJBIGI-XHSDSOJGSA-N 277.795 3.651 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1 454344286 NJYQAATUILJEIO-HUUCEWRRSA-N 285.391 3.700 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1cccc(C2CC2)c1 454537511 WSXKUDDQWZUZRO-CHWSQXEVSA-N 272.392 3.889 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C)ccc1Cl 454967005 VROOSWYHVVEDLB-OCCSQVGLSA-N 294.782 3.504 30 20 CHED CC(C)(C)C1CC(C(=O)N[C@H](C#N)c2ccccc2F)C1 457523817 OGDLYVYIQVBWIL-KOHJWAIASA-N 288.366 3.579 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)CC(C)(C)C#N 458254327 PCCIJNMVCJHIAF-KGLIPLIRSA-N 279.428 3.536 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 458268829 ZDAVITROAXFVPL-MXASKKJJSA-N 269.388 3.651 30 20 CHED C=C(C)CCNC(=O)N(CC(C)C)C1CCCC1 459009959 VRQLMSCRBDBWFA-UHFFFAOYSA-N 252.402 3.563 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)NCC(C)(C)CC#N)C1CC1 459262979 WKVFVQKBKCLEEA-OLZOCXBDSA-N 279.428 3.535 30 20 CHED C[C@@]1(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC=CCC1 459315096 RMGUZRPYKRCYLH-OAHLLOKOSA-N 289.766 3.832 30 20 CHED C[C@@H](CNc1ccc(F)cc1C#N)N1CCc2ccccc21 462375208 KCNVKPCPABCBHH-ZDUSSCGKSA-N 295.361 3.560 30 20 CHED C=CCn1c(SCCF)nnc1-c1ccccc1C 463429021 NFQRIYALGCWXAK-UHFFFAOYSA-N 277.368 3.501 30 20 CHED CC[C@H](C)[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 464714164 UHRRVKDPYZOJFU-BPUTZDHNSA-N 286.419 3.871 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCC[C@H]1CCC 466376665 LRZYQNRYIHXGSR-ZIAGYGMSSA-N 252.402 3.705 30 20 CHED N#Cc1ccn(Cc2ccc(Br)c(Cl)c2)c1 468400557 YAXXTQOXBAOCFE-UHFFFAOYSA-N 295.567 3.824 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1cc(F)cc(F)c1 470078877 MCDWFADIVBHIPY-UHFFFAOYSA-N 279.330 3.692 30 20 CHED C=CCCCCNC(=O)N(C)C1CCC(C)CC1 474075974 ZDHOMVYZGNRWMA-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=CCCC1(C(=O)NCCC2Cc3ccccc3C2)CC1 476491136 FPEQQPRLRQRGHB-UHFFFAOYSA-N 283.415 3.654 30 20 CHED C=CCC[C@@H](NC[C@@](C)(CO)Cc1ccccc1)C1CC1 477865905 UBFTZQLMRXCMQG-MOPGFXCFSA-N 287.447 3.562 30 20 CHED N#Cc1ccc(CNCCCCc2ccc(F)c(F)c2)o1 479404022 BELIOQWEHSVNIL-UHFFFAOYSA-N 290.313 3.542 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)Oc1cccc(C)c1 481253534 FLIMQCAAEWGSMQ-INIZCTEOSA-N 275.392 3.577 30 20 CHED C=CCN(C(=O)c1ccc(C(C)=O)s1)c1ccccc1 484277921 CFQFOPFWWRHUKQ-UHFFFAOYSA-N 285.368 3.784 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)ns1 488884267 XXZWWHVOWQPIPK-CQSZACIVSA-N 298.411 3.991 30 20 CHED C=CCCCS(=O)(=O)N(C)c1ccc(C(C)(C)C)cc1 489128735 LQFFBRIQJVLAGM-UHFFFAOYSA-N 295.448 3.716 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1 489308360 XRYGZNNRKSSDTJ-MRXNPFEDSA-N 270.376 3.743 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OC(F)F)c(OC)c1 489446101 YYTCHFUVRNOLTP-CYBMUJFWSA-N 297.345 3.837 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2ncsc2c1 489720387 WXVSTPNJDXOBIS-UHFFFAOYSA-N 274.389 3.628 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc([C@H](C)CC)no1 489830879 YVSUZKXOMZPERA-LLVKDONJSA-N 264.369 3.520 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC[C@H](C)c1ccccc1 494585033 IXEAQSPYHRTMLJ-GOEBONIOSA-N 274.408 3.834 30 20 CHED C=C(C)COc1cccc(N[C@@H](C)COC(C)C)c1 500446473 FKQHQUDHFFHYAG-AWEZNQCLSA-N 263.381 3.867 30 20 CHED C=C(C)COc1cc(CN(C)CC(C)C)ccc1OC 506445812 SITCPRITRXVZAP-UHFFFAOYSA-N 277.408 3.738 30 20 CHED Cc1nnc(NCC[C@H]2CCCC[C@H]2C)c(C#N)c1C 511737269 DAPDAXSSXSUMNV-BXUZGUMPSA-N 272.396 3.593 30 20 CHED Cc1cnc(NCC2(C#N)CCC2)nc1-c1ccccc1F 520205292 PTHGSRIRSDUXDA-UHFFFAOYSA-N 296.349 3.697 30 20 CHED Cc1cc(Cl)cc(CN(C)CC(C)(C)C#N)c1 520553858 QDVFYGRGVNJLGJ-UHFFFAOYSA-N 250.773 3.630 30 20 CHED CCC[C@@H](CC)NC(=O)Nc1cc(C#N)ccc1OCC 521693451 ZKXUHKWWZHUQRF-CYBMUJFWSA-N 289.379 3.657 30 20 CHED CCC[C@H](C#N)NC(=O)c1oc2ccc(Cl)cc2c1C 523700602 XZYVIYKBAFBQBA-LLVKDONJSA-N 290.750 3.817 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccnc(C)c1 527532841 IFDGAVACURZHJS-UHFFFAOYSA-N 282.387 3.587 30 20 CHED C[C@@H]1CC[C@H](c2noc(-c3ccc(C#N)c(Cl)c3)n2)O1 528230403 GJRIIOLYMKWKAI-PRHODGIISA-N 289.722 3.502 30 20 CHED C[C@@]1(C(=O)[C@@H](C#N)c2nc3ccccc3o2)C[C@H]2CC[C@H]1C2 528929391 QSLUZWFEALFXPN-ZVZLLHMNSA-N 294.354 3.830 30 20 CHED CC1(C)Cc2cccc(NCc3ccc(C#N)s3)c2O1 530445864 KECSPWCKCOMIRX-UHFFFAOYSA-N 284.384 3.945 30 20 CHED CCCn1ccc2cc(NC(=O)C3(C#N)CC(C)C3)ccc21 532319663 OKEDTLHDDYNANQ-UHFFFAOYSA-N 295.386 3.930 30 20 CHED COc1ncc(CSc2cccc(C#N)c2)cc1Cl 533091204 PALWOXHLXCVSRX-UHFFFAOYSA-N 290.775 3.908 30 20 CHED Cc1cccc(N(C)C(=O)c2ccc(Cl)c(C#N)c2)c1 537583758 LFLVEHBCTZOPCB-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1ccc(Cl)cc1)C1CC1 537932623 QMSWQJCRZIZPIK-GFCCVEGCSA-N 277.795 3.696 30 20 CHED C=CCCN[C@H](C)c1ccc(OCc2cccnc2)cc1 539226354 MTJJALBWNLSZKM-OAHLLOKOSA-N 282.387 3.887 30 20 CHED C=CC[C@H](CO)CNC(=O)[C@H](CCC)CC1CCCCC1 539322967 ROJSTWCOQJYSHE-DLBZAZTESA-N 295.467 3.674 30 20 CHED CC(C)CCCS[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C 540716429 QGDHYCWLKPMXMR-DZGCQCFKSA-N 284.469 3.599 30 20 CHED C=CCCOCCCCc1nc(-c2ccccc2F)no1 544995856 WVWZRLCTYOJYDY-UHFFFAOYSA-N 290.338 3.791 30 20 CHED C[C@H](C#N)CN[C@H](C)CCc1ccc(C(F)(F)F)cc1 549378230 NZLMAQYCGVSNML-VXGBXAGGSA-N 284.325 3.776 30 20 CHED C=CCC[C@H](NC[C@@H](C)N1CCC[C@@H](C)C1)c1ccco1 552224216 OBZBRNVVIPIJBG-ZACQAIPSSA-N 290.451 3.997 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cccc2cc[nH]c12 554500674 CAPWQPYETOWDMU-UHFFFAOYSA-N 284.363 3.619 30 20 CHED CC1(Cc2noc(-c3cccc(CC#N)c3)n2)CCCC1 554845153 LBJKPUDSKFVFJN-UHFFFAOYSA-N 281.359 3.925 30 20 CHED C=CCCSCC(=O)N[C@H](c1ccc(F)cc1)C(C)C 555428047 CMQYLSDDVLTJPL-INIZCTEOSA-N 295.423 3.948 30 20 CHED C=CCC(C)(C)c1noc(COc2ccccc2F)n1 556347706 NGUAXKHGHOABRO-UHFFFAOYSA-N 276.311 3.641 30 20 CHED CC1(C)CCC(C)(CNC[C@@H](C#N)CCC#N)CC1 557258493 RNOIRCXUHNBJJO-CQSZACIVSA-N 261.413 3.626 30 20 CHED Cc1cccc([C@H](C)CNc2snc(C)c2C#N)c1 561213525 BDFJXLYSLFPEGK-LLVKDONJSA-N 271.389 3.847 30 20 CHED N#CCCN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)cc1 563467290 BDWPUBYRKHEERO-XEZPLFJOSA-N 286.350 3.509 30 20 CHED COc1cc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)ccn1 565217098 GSLRCWAINCKULP-PBHICJAKSA-N 295.386 3.786 30 20 CHED C[C@H](NC(=O)NCC1(C#N)CC1)c1cc2ccccc2s1 565944311 FDLFHFWLHWBWGF-NSHDSACASA-N 299.399 3.565 30 20 CHED Cc1ccc2ccnc(NCC3(C#N)CCC3)c2c1 566161073 VEYZEMMZSAMLEA-UHFFFAOYSA-N 251.333 3.649 30 20 CHED CC#CCN(C)C(=O)C1(c2c(Cl)cccc2Cl)CC1 570240302 QBZCBGDBMAXCCA-UHFFFAOYSA-N 296.197 3.507 30 20 CHED C=CCC[C@H](C)NCc1cc(-c2ccccc2)on1 570974980 XAQAKTOWZCAMKV-ZDUSSCGKSA-N 256.349 3.786 30 20 CHED CC[C@](C)(C#N)C(=O)N(CCc1ccccc1)CC(C)C 572155564 NEDUJVUBELETRK-GOSISDBHSA-N 286.419 3.654 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCC[C@H](F)C2)c1C#N 572516293 OQDIZDNZQYSPCY-UWVGGRQHSA-N 267.735 3.608 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(C#N)c(F)c2)C1 581102294 XJENBNMVCCDKNM-VXGBXAGGSA-N 289.354 3.740 30 20 CHED C=C(C)[C@H](CC(=O)NCC(C)(C)C(C)(C)C)OCC 584190789 ZTOCBHJTIFGSNT-ZDUSSCGKSA-N 269.429 3.546 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccc(C#N)cc21 589343298 MJXFWPIKPDUGDG-PMACEKPBSA-N 299.377 3.694 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCCCc2ccccc21 590672957 FRXLLAIIWJXBQW-UHFFFAOYSA-N 293.370 3.568 30 20 CHED CN(CCC(C)(C)C)C(=O)C[C@H](CC#N)c1ccccc1 592683699 GDOSSHIFGWDYPU-INIZCTEOSA-N 286.419 3.969 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)Cc1ccc2ccccc2c1 593401816 FVEDWSCGOKBUQN-HNNXBMFYSA-N 280.371 3.738 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)CCSCC)C1 595539878 NNKXEVSUTPRLMJ-ZIAGYGMSSA-N 284.469 3.516 30 20 CHED N#CC[C@H]1CCCN(Cc2cccc(C(F)F)c2)C1 595623553 TWVBANDIYCCROH-GFCCVEGCSA-N 264.319 3.750 30 20 CHED Cc1cc(C)c(CN2CCC[C@H](CC#N)C2)cc1C 597175241 XHQKQCIJOLAEKB-MRXNPFEDSA-N 256.393 3.738 30 20 CHED CCN(C(=O)C[C@@H](C)CCC=C(C)C)[C@@H](C)C#N 598347937 BXHUPXOGNCORCP-KBPBESRZSA-N 250.386 3.520 30 20 CHED CCSc1cccc(NC[C@@H](O)CC(C)(C)C#N)c1 598726159 OIXKGZIVYGWOJU-ZDUSSCGKSA-N 278.421 3.511 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2ncccc21 601278348 SCEOTPIOWKVEIZ-MOPGFXCFSA-N 289.382 3.608 30 20 CHED COc1cccc(C2CCN(CC3(CC#N)CC3)CC2)c1 602765344 KBRDFBZXNFSEAZ-UHFFFAOYSA-N 284.403 3.568 30 20 CHED CCCC[C@@H](CC)CSc1[nH]c(=N)c(C#N)cc1C#N 603722350 KAHFJFGKPYCBRC-LLVKDONJSA-N 288.420 3.546 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](C)c1c(F)cccc1F 604901023 TVAPKIKYYOGDEF-WDEREUQCSA-N 282.334 3.632 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1ccc2ccccc2c1 608822516 FMNIZTADWOPUEJ-INIZCTEOSA-N 266.344 3.508 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)CCc1ccc(C#N)cc1)C1CC1 609189835 CFGXAVPWJDZULY-GJZGRUSLSA-N 298.430 3.916 30 20 CHED CC[C@]1(C)CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 610407162 RAMOZPQPEZHONV-KBXCAEBGSA-N 299.418 3.841 30 20 CHED N#Cc1cnc2c(F)ccc(F)c2c1N1C[C@H]2CCC[C@@H]2C1 610685367 CGDNCBLJEIBUEQ-GHMZBOCLSA-N 299.324 3.621 30 20 CHED C[C@H](NC(=O)N[C@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 615475103 OHCUYOIYNVSZLK-BBRMVZONSA-N 299.418 3.887 30 20 CHED CC1(C)CC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 619755585 MEYJECPICVZDKD-ZDUSSCGKSA-N 262.784 3.880 30 20 CHED C=CCCC(C)(C)NC(=O)COC/C=C/c1ccccc1 620857662 DSTZAWRGPUNSRK-FMIVXFBMSA-N 287.403 3.577 30 20 CHED C=CCN(C(=O)COCc1cccc(Cl)c1)C(C)(C)C 622945537 HKEHDRFDNNIKBP-UHFFFAOYSA-N 295.810 3.670 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCOc2ccccc2[C@@H]1C 622988021 TXPLSSDWHQXAPO-GUYCJALGSA-N 273.376 3.571 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 642112970 SHNGFSRQJSLTMW-ULQDDVLXSA-N 269.388 3.637 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(Cl)c(OC)c(OC)c1 650542397 FPWBDBAXNSTKRC-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C=CC[C@H](CC)NCc1ccc(O[C@H](C)COC)cc1 657454630 CDHGKOCUSGANTG-ZBFHGGJFSA-N 277.408 3.545 30 20 CHED C=CC[C@@H]1CCCC[C@H]1N[C@H]1C[C@H](C)O[C@H](C)C1 657530995 VINBXOKCHJLSOB-YIDVYQOGSA-N 251.414 3.667 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@](O)(C(F)(F)F)C1 658021639 UUXWZAPJKVAYRY-YIYPIFLZSA-N 291.357 3.557 30 20 CHED C=CCCNC(=O)N[C@H](CC)c1ccccc1OC(F)F 660401692 WLRLAQSZMWSSPW-GFCCVEGCSA-N 298.333 3.614 30 20 CHED C=CCCCCN1CCC([C@H]2CCCCO2)CC1 661863320 MPVBXGNULMKATG-MRXNPFEDSA-N 251.414 3.624 30 20 CHED C=C(CNC(=O)c1cc2occc2s1)c1ccccc1 672479746 GWVMSXYASGJPKV-UHFFFAOYSA-N 283.352 3.938 30 20 CHED C=CCCCCNC(=O)c1oc2c(F)cccc2c1C 681145460 MZWOPAKFJAPBEW-UHFFFAOYSA-N 275.323 3.966 30 20 CHED C=CCN(C(=O)c1nc(C)c(C)s1)c1ccccc1 683732814 DLKLTKJOHRNALL-UHFFFAOYSA-N 272.373 3.593 30 20 CHED CC(C)CN(CCC#N)C(=O)/C=C\c1ccc(Cl)s1 701279540 WTGANXUFGYOMBD-ALCCZGGFSA-N 296.823 3.813 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1cccc(O)c1 726429295 MITNIUICDYYFAL-UHFFFAOYSA-N 292.285 3.830 30 20 CHED C=CCCC(=O)OCc1ccc(F)c(Br)c1 726651304 YSMSZNBYSBBTPD-UHFFFAOYSA-N 287.128 3.598 30 20 CHED CCc1ccc([C@@H](C)C(=O)OCc2ccccc2C#N)cc1 727916772 NLUSLJWWIOZQIV-CQSZACIVSA-N 293.366 3.968 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(F)cc2F)ccc1O 728232068 RZZSZCWDQSHBKP-CLTKARDFSA-N 274.266 3.875 30 20 CHED N#Cc1cc(F)ccc1COC(=O)C=C1CCCCC1 728624599 FWFZRSMQRAKTFK-UHFFFAOYSA-N 273.307 3.631 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc(O)cc1)C2=O 729152036 ZOCGPAWULORWAM-UKTHLTGXSA-N 250.297 3.523 30 20 CHED CC(CSC(C)(C)C)=NNc1ccccc1C(=O)O 729635195 HITOZXGBRJJAQV-UHFFFAOYSA-N 280.393 3.704 30 20 CHED C=C(Cl)CSCc1ccn(-c2cccc(F)c2)n1 729855584 ZFNDYLLCMPSBHK-UHFFFAOYSA-N 282.771 3.997 30 20 CHED O=C1/C(=C/c2ccnc3ccccc23)COc2ccccc21 731835518 HCIHOTDBPNDMQH-SDNWHVSQSA-N 287.318 3.894 30 20 CHED CCCNN=C1CCCC[C@H]1c1ccc(OC)c(F)c1 732712414 GPXMYQGHMNMUBW-ZDUSSCGKSA-N 278.371 3.848 30 20 CHED CC(=NNC(=S)N[C@H]1CCCC[C@@H]1C)C1CCCC1 733076227 GZHSPBYGRVXFJI-FZMZJTMJSA-N 281.469 3.595 30 20 CHED CC(C)CC(CC(C)C)=NNc1nccnc1Cl 733079407 KFDAWZSRYLEMCE-UHFFFAOYSA-N 268.792 3.990 30 20 CHED C=C(Cl)COC(=O)[C@H](C)Oc1ccc(F)cc1Cl 733564062 PPPCJCQDIRIEIW-QMMMGPOBSA-N 293.121 3.542 30 20 CHED Cc1cccc(/C=C2\Cc3cc(F)ccc3C2=O)c1 734307734 ROZXSKTUVKLDNF-RIYZIHGNSA-N 252.288 3.957 30 20 CHED C=CC1CCN(C(=S)N[C@@H](CC)c2cccs2)CC1 734380998 RQDQZDVFCONTDW-ZDUSSCGKSA-N 294.489 3.972 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H](C(C)(C)C)CC1 734763995 XKCBKBJMFOIRED-CYBMUJFWSA-N 268.470 3.585 30 20 CHED COc1ccc(C#N)cc1NCc1c(C)cccc1C 738294640 NWKVGLJXZHJQIF-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CCO[C@H]1CC(=NNc2cccc(F)c2)C12CCCC2 743435385 DRKDRQCMPHSPFR-HNNXBMFYSA-N 276.355 3.963 30 20 CHED C[C@@H](CCc1ccc2c(c1)OCO2)/N=C\c1ccccc1O 745625181 UEZPZDWYPYBSIC-JFENUBAZSA-N 297.354 3.561 30 20 CHED Cc1ncsc1C=NNc1ccc(C(F)(F)F)cc1 746576933 RQMOPBDHFRYFJX-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C=CC[C@H](NC(=O)c1ccc(C)cc1F)c1ccncc1 749391781 PCTJMAZDZUCJQS-INIZCTEOSA-N 284.334 3.576 30 20 CHED COc1ccc(NN=Cc2c[nH]c3ccc(F)cc23)cc1 750946595 WGCQEBSNHCBLQM-UHFFFAOYSA-N 283.306 3.762 30 20 CHED CC(C)Oc1cccc(OC(=O)c2cc(C#N)cs2)c1 752177633 BROMVUOJMSICPP-UHFFFAOYSA-N 287.340 3.626 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc2ccsc12 752358725 AKPWCVRAYGXNJN-UHFFFAOYSA-N 266.753 3.775 30 20 CHED C[C@@H]1CC/C(=C/C(=O)N(CCC#N)CC(C)(C)C)C1 753612440 XPJHKTPDCZWRTE-KECPUOCWSA-N 262.397 3.521 30 20 CHED Clc1ccccc1CNN=Cc1cccc2[nH]ccc12 755661079 MWXJOBKXSNGIRK-UHFFFAOYSA-N 283.762 3.945 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccccc1OC(F)F 755821237 ZIYYMUZNTAWWNK-ZDUSSCGKSA-N 285.290 3.555 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2O)s1 757477020 XBGMMMUNEFPUCL-SNAWJCMRSA-N 280.295 3.936 30 20 CHED C#Cc1cccc(NC(=S)NCC2(C)CCCCC2)c1 757534913 ONCQEMXKDWWSFJ-UHFFFAOYSA-N 286.444 3.925 30 20 CHED C#CCCCC(=O)Nc1ccc2oc(C(C)C)nc2c1 757833994 HGRRPQDYVVNGMW-UHFFFAOYSA-N 270.332 3.693 30 20 CHED Fc1ccccc1-c1ccc(C=NOCC(F)F)o1 758906682 KHXWCAJUMVMHKU-UHFFFAOYSA-N 269.222 3.701 30 20 CHED Cc1ccc(F)c(NN=Cc2c(F)cccc2F)c1 759653959 XVRIXYCFZQVJIG-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C#CCN(C(=O)c1cc(C)n(C2CCCCC2)c1C)C1CC1 764449754 RWJVLEOXPNJSNH-UHFFFAOYSA-N 298.430 3.848 30 20 CHED C[C@H](OC(=O)c1ccccc1SCC#N)c1ccco1 764798421 BASLUFXJQDQXMK-NSHDSACASA-N 287.340 3.813 30 20 CHED CCCCCCCCCC(=O)N1CCO[C@@H](C)[C@H]1C 765983426 KTHCPMNIASMPLW-CABCVRRESA-N 269.429 3.763 30 20 CHED CCCCCCCCN1CC[C@H]2[C@H](CCCN2C)C1 766124536 XTNYNWSNQHAMQP-SJORKVTESA-N 266.473 3.763 30 20 CHED C#CCCCSc1nnc(NCc2ccccc2)s1 766284970 OZHONWXBUGITAU-UHFFFAOYSA-N 289.429 3.656 30 20 CHED CCOCCON=C1C[C@H](C(C)C)c2ccccc21 766453652 BZCNFTPNVOTOGA-OAHLLOKOSA-N 261.365 3.587 30 20 CHED CCO[C@@H]1CCCC1=NNc1nc2ccccc2cc1C 766455059 OTZKYEXVEYPUFY-MRXNPFEDSA-N 283.375 3.900 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C#N)c(C)c2)o1 766491924 QVIAZJONHDNHJD-FNORWQNLSA-N 251.285 3.664 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2cccc(C#N)c2)o1 767362055 LUIAIVZNCZXEBN-XHDPSFHLSA-N 265.316 3.721 30 20 CHED C[C@H]1CCC(=NNc2ncnc3ccsc23)C[C@H]1C 767387390 HUKWTPQMVXHXIB-VHSXEESVSA-N 274.393 3.915 30 20 CHED C#CC[C@H](NCc1cc(C)oc1C)c1ccccc1 767392678 NXCKSEJCCWPBAE-KRWDZBQOSA-N 253.345 3.751 30 20 CHED O=C(O)c1ccccc1NN=C1CC[C@H]1c1ccccc1 769778666 VDODXDCCKHJHEK-ZDUSSCGKSA-N 280.327 3.730 30 20 CHED C#CCN(C(=O)CC1(CSc2ccccc2)CC1)C1CC1 770025939 JBUMRFUXZBJFNH-UHFFFAOYSA-N 299.439 3.573 30 20 CHED CCc1ccc(NC(=O)c2ccc(C=NOC)cc2)cc1C 770262682 CANIOSICNDJCLC-UHFFFAOYSA-N 296.370 3.790 30 20 CHED CCCC(=CC(=O)[C@@H](C#N)c1cc(C)nc(C)n1)CCC 771258954 NTGVZLHAOVYPQP-HNNXBMFYSA-N 285.391 3.796 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 772600779 ZDJOZFDCSPNHRK-KSSFIOAISA-N 295.386 3.643 30 20 CHED CC1(C)CCC[C@H]1C(=O)O[C@@H](C#N)C1CCCCC1 772615164 LFHHWGDXOFILQA-KBPBESRZSA-N 263.381 3.828 30 20 CHED C=CCCCC(=O)O[C@@H]1COc2cc(Cl)ccc21 774523905 BFAWGUFSZTWMFU-CYBMUJFWSA-N 266.724 3.673 30 20 CHED C=CCCCC(=O)Oc1ccc(F)c(Br)c1 776216397 QBWNAWIFBKXBBY-UHFFFAOYSA-N 287.128 3.850 30 20 CHED C=CCOc1ccc(CNCc2ccc(OC)cc2C)cc1 776252852 IHBCBIKXIBLAMP-UHFFFAOYSA-N 297.398 3.858 30 20 CHED C/C(=C/C(=O)OCCC(C)(C)C#N)c1ccc(F)cc1 776380437 ZAWSAYYFMNJHFB-BENRWUELSA-N 275.323 3.712 30 20 CHED COCC(=NNc1nccc2sccc12)C1CCCC1 780212483 QKFJPHMIOCIJPT-UHFFFAOYSA-N 289.404 3.901 30 20 CHED CCCCO[C@@H]1CC(=NN[C@H]2CCOC(C)(C)C2)C1(C)C 780241379 PCQGDCIUSSQRCZ-DZGCQCFKSA-N 296.455 3.505 30 20 CHED COc1ccc(NN=C2CCC[C@@H]2c2ccc(F)cc2)nc1 780265935 VHYVXIVGMXRGDS-OAHLLOKOSA-N 299.349 3.965 30 20 CHED Cc1cc(COC(=O)c2ccccc2Cl)ccc1C#N 782006414 KYDCWIUFRMAQHZ-UHFFFAOYSA-N 285.730 3.877 30 20 CHED CC1(C=NNc2ccc(C#N)c(C(F)(F)F)c2)CC1 782219743 GVZADGBEOXYRSU-UHFFFAOYSA-N 267.254 3.775 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1F 782343592 WWVKIVNGGWVEOL-HWKANZROSA-N 289.281 3.655 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1cccc([N+](=O)[O-])c1 783784427 CTXNNLGYHSMHTH-MNOVXSKESA-N 261.325 3.819 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1cc(C)c(C(=O)OC)o1 785761296 IQXPJKDMALWNCH-ZBEGNZNMSA-N 294.347 3.581 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] 785999598 WRNWNEBNCWLMGW-ZDUSSCGKSA-N 280.755 3.789 30 20 CHED CCCn1c(C(=O)OCCCCC#N)cc2ccccc21 786944890 IIWWCNVZRUJWFW-UHFFFAOYSA-N 284.359 3.902 30 20 CHED Cc1cc(C)c(N=Cc2cc(Cl)ccc2O)cc1CO 787141199 JRXGITXTRSBAQB-UHFFFAOYSA-N 289.762 3.905 30 20 CHED O=C(/C=C/c1cc2ccccc2o1)c1cncs1 787169984 RKWVTNVMIRRNIY-AATRIKPKSA-N 255.298 3.785 30 20 CHED O=C(/C=C\c1cccc(Cl)c1F)c1cncs1 787170673 ZKASDJAJCDXCBH-PLNGDYQASA-N 267.712 3.832 30 20 CHED CCCCCCCCC[C@@H](C)CC(=O)N1CC[C@@H](O)C1 787410054 IEXWDQZSIQUNOP-HZPDHXFCSA-N 283.456 3.747 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc2c(=O)[nH]ccc2c1 789071060 OFSKHMMYERYIRY-CQSZACIVSA-N 283.375 3.752 30 20 CHED CC(C)C[C@@H]1CCCC(=NNc2ncncc2F)C1 793217495 GBEGYDQWQZJPFH-NSHDSACASA-N 264.348 3.620 30 20 CHED C#CCN(C(=O)c1cc(C=O)c(C)cc1C)C1CCCCC1 793249994 VLTHKTXWKQBYOX-UHFFFAOYSA-N 297.398 3.524 30 20 CHED CSCCON=Cc1c(Cl)ccc2cccnc12 794574265 ZZZZZAZGKAJUFK-UHFFFAOYSA-N 280.780 3.602 30 20 CHED Cc1ccsc1/C=C1\COc2cc(F)ccc2C1=O 794728812 VEGVWZSCWSNZAJ-UXBLZVDNSA-N 274.316 3.854 30 20 CHED COc1cccc(C(=O)/C=C/c2c(F)ccc(O)c2F)c1 794926092 IQTIYFUREGPLET-FNORWQNLSA-N 290.265 3.575 30 20 CHED Cc1cccc2c1C/C(=C/c1c(F)ccc(O)c1F)C2=O 794942132 INKCXMVNJQVKTL-NTMALXAHSA-N 286.277 3.801 30 20 CHED CC(=NNc1ncccc1F)c1cccc(Cl)c1 794990922 SHDHHGHCGBYUPP-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(C)c(OC)c(Cl)c1 796794141 YXVXSOANIDGQRI-QWRGUYRKSA-N 253.773 3.882 30 20 CHED CC(C)[C@H](C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572706 GSMGUCUNPOKGQG-QWRGUYRKSA-N 278.421 3.909 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C/N=C\c1c(O)ccc2ccccc12 797785064 SLGSOHSGDUZPGA-MHGUWOPYSA-N 295.382 3.946 30 20 CHED C#Cc1cncc(C(=O)Oc2cc(C)c(Cl)c(C)c2)c1 798244490 HHNSNHGUAKMENA-UHFFFAOYSA-N 285.730 3.552 30 20 CHED COc1ccccc1CON=C(C)c1cccc(F)c1F 799118352 BLQBGGDQUHHXAY-UHFFFAOYSA-N 291.297 3.914 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cc3c(cc2Cl)OCCCO3)C1 799722952 XBHTUFVYPRPZTI-MNOVXSKESA-N 292.766 3.605 30 20 CHED CCCOc1ccc(N[C@H]2CC[C@@H](C#N)C2)c(C)c1 799724067 CQJYAYPODNMPLU-KGLIPLIRSA-N 258.365 3.888 30 20 CHED FC(F)(F)CON=C1CCC[C@H](c2cccnc2)C1 799883038 NOKKGUUNOBPVFB-JTQLQIEISA-N 272.270 3.674 30 20 CHED C[C@@H]1CC[C@H](C=NNc2ncnc3ccsc23)C1 800814770 XPIWPIMWSMVMPI-ZJUUUORDSA-N 260.366 3.525 30 20 CHED CC#CC(=O)N(C1CC1)[C@@H](C)c1ccc2ccccc2c1 801139776 PYQSGOVHYBPLMW-AWEZNQCLSA-N 277.367 3.915 30 20 CHED CC#CC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 801175058 CWRKORDYSPOBLR-INIZCTEOSA-N 275.779 3.711 30 20 CHED C#CC[C@@H](NC(=O)c1sccc1Cl)c1ccccc1 802886462 LITDNGATMXHPSK-CYBMUJFWSA-N 289.787 3.896 30 20 CHED C#Cc1ccc(C(=O)O[C@H]2CCc3cc(Cl)ccc32)cn1 803338834 QQBUUTSPWLYKCI-INIZCTEOSA-N 297.741 3.561 30 20 CHED Cc1cc(COC(=O)CCCOC(C)(C)C)ccc1C#N 803753519 UHJXUYKRHIYTKC-UHFFFAOYSA-N 289.375 3.505 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1c(CC)ccc(Cl)c1CC 806136545 ZAZIVXGZSSZJCX-LBPRGKRZSA-N 292.810 3.998 30 20 CHED C[C@@H](CCOCc1ccccc1)/N=C/c1ccccc1O 806552320 RGPRKINFBQRAAB-SJPXOZHESA-N 283.371 3.807 30 20 CHED C#C[C@H](CC)NCc1ccc(C(F)(F)F)cc1C 809685968 DWYMBGJSKJNMJG-CYBMUJFWSA-N 255.283 3.515 30 20 CHED CC(C)c1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)nc1 810567763 BHEDZICFPSLZLG-CYBMUJFWSA-N 294.354 3.995 30 20 CHED CC(C)(C#N)c1ccc(C(=O)O[C@H]2CCCC[C@@H]2F)cc1 811050220 GILAUABWVHLVDV-GJZGRUSLSA-N 289.350 3.925 30 20 CHED CC(=NOC1CCCCC1)[C@@H](C)NC(=O)OC(C)(C)C 811648576 NAUVRRIOEHCJNG-LLVKDONJSA-N 284.400 3.625 30 20 CHED Cl/C=C\CON=C1CCCC[C@H]1N1CCCCC1 811669345 OACYXBIJERDVHW-RLAIJNPWSA-N 270.804 3.540 30 20 CHED C#CCCCCCC(=O)OCc1oc(CCC)nc1C 814081048 ZMRXHKVAYOFIRI-UHFFFAOYSA-N 277.364 3.562 30 20 CHED C=C(C)[C@H](NC(=S)NC1CCC1)c1ccc(F)c(F)c1 814201350 BNLKXVZZMAXBBC-AWEZNQCLSA-N 296.386 3.599 30 20 CHED CC(C)c1cnc(C=NNc2cc(F)cc(F)c2)s1 814813530 RMXDNMFWJUSSJT-UHFFFAOYSA-N 281.331 3.991 30 20 CHED C[C@@H](C#N)CNN=C1CCCC[C@H]1C1CCCCC1 814881888 ZTHXVZYIOVLZNA-ZFWWWQNUSA-N 261.413 3.862 30 20 CHED C(=NO[C@H]1CCCCO1)c1ccc(C2CCC2)cc1 814887033 GMSZPLHKGGPCNN-INIZCTEOSA-N 259.349 3.831 30 20 CHED C=CCCC(CCC)=NNc1ncncc1Cl 814910340 ZSVGUFHNCPHPRZ-UHFFFAOYSA-N 252.749 3.664 30 20 CHED CCc1cccc(C)c1NN=C1CC[C@H](CC(=O)O)[C@H]1C 814923298 ONSDONBSIDEGBW-TZMCWYRMSA-N 288.391 3.846 30 20 CHED CSc1ccc(C=NN[C@@H](C)C(C)(C)C)s1 814937774 PFSYIJGVLDEPHX-VIFPVBQESA-N 256.440 3.828 30 20 CHED C#CCN(C(=O)c1ccn(C(C)C)c1C)C1CCCCC1 815137202 ODBVMNSDCRIOQR-UHFFFAOYSA-N 286.419 3.786 30 20 CHED CCCCCCCN[C@H](c1ccc(F)cc1)c1nc[nH]n1 815600932 JBYSULXBEOCQCP-OAHLLOKOSA-N 290.386 3.593 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1cccs1 819814637 CYKYQUQSGIBVMD-NSHDSACASA-N 259.378 3.608 30 20 CHED CC(C)C#CC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 821805785 ILZFIHWLNRGXLH-CJNGLKHVSA-N 285.387 3.553 30 20 CHED C=C(CC)CS[C@H](C)c1ccc(-c2nn[nH]n2)cc1 823883236 LWBMNIOFBURJBY-LLVKDONJSA-N 274.393 3.627 30 20 CHED Cc1cc(Cl)nc(CNC2CCC(C)(C#N)CC2)c1 824338787 FBKDOAZHYBUEBU-UHFFFAOYSA-N 277.799 3.606 30 20 CHED CCOc1ccc(CNc2cccc(OCC#N)c2)c(C)c1 825450877 MFFQTUPXLXZKJF-UHFFFAOYSA-N 296.370 3.908 30 20 CHED CC(C)C#CC(=O)Nc1ccc(Cl)cc1OC(F)F 832213163 QXRHMKKECBAQFK-UHFFFAOYSA-N 287.693 3.539 30 20 CHED c1ccc2[nH]c(NN=C3CCCC34CCC4)nc2c1 834921332 SFZVLXGGLQGLLQ-UHFFFAOYSA-N 254.337 3.685 30 20 CHED Cc1ccsc1C=NN[C@H]1CCc2c(F)cccc21 835020689 OIVCTOPYOHKKQT-AWEZNQCLSA-N 274.364 3.807 30 20 CHED C#CCCOC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835089442 BDXZALRQZWJNLS-SNVBAGLBSA-N 270.250 3.533 30 20 CHED CCOc1ccccc1C=NOCc1cccc(C#N)c1 836297715 MHHZXSKFLNRUQU-UHFFFAOYSA-N 280.327 3.508 30 20 CHED CC(C)(C(=O)OCc1cc(F)ccc1C#N)C1CCC1 838157969 QUPJESXKDZROFO-UHFFFAOYSA-N 275.323 3.567 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839448418 ILOMTDWUFZJVBS-OCCSQVGLSA-N 284.359 3.507 30 20 CHED C=C(CNC(=O)/C=C\C1CCCC1)c1ccccc1 843593510 BBMGUMPOQMVRML-QXMHVHEDSA-N 255.361 3.562 30 20 CHED C=C(Cl)CNC(=O)CCCc1ccc(SC)cc1 843801052 BAPGHYJYWDVFSB-UHFFFAOYSA-N 283.824 3.600 30 20 CHED C=CCC(C)(C)COC(=O)c1cnc2n1[C@H](C)CCC2 845575513 GWUCTNGXOXCJLG-GFCCVEGCSA-N 276.380 3.540 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](CC)c1ccc(Cl)s1 845635414 YGLKPCMRMCWHNW-DTWKUNHWSA-N 288.800 3.658 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1coc2ccccc12 851203977 IBILAOZSAVRLHR-LBPRGKRZSA-N 285.343 3.847 30 20 CHED N#CC[C@H]1CCCN([C@H]2CCc3cc(Cl)ccc32)C1 852319018 FHFKHLISNCDGPN-WBMJQRKESA-N 274.795 3.953 30 20 CHED FC(F)(F)c1ccccc1NN=C1CCCn2nccc21 853258674 YMQYBLOTZIXUGE-UHFFFAOYSA-N 294.280 3.512 30 20 CHED C=C(Cl)CS[C@H](CC)C(=O)OC(C)(C)C 853783130 HCMNCMQPPGPEHU-SECBINFHSA-N 250.791 3.592 30 20 CHED C=CCCONC(=O)CCCc1csc2ccccc12 856032779 QHSYMYJLOUUEHS-UHFFFAOYSA-N 289.400 3.848 30 20 CHED CCCCCCCNC(=O)N1CCC(F)(F)[C@H](C)C1 858112922 BPSWRWKHPNYFOF-GFCCVEGCSA-N 276.371 3.644 30 20 CHED CC(=O)[C@@](C#N)(CCSC1CCC1)c1ccccc1 871674375 WQEMPNLKHDKVQT-INIZCTEOSA-N 273.401 3.713 30 20 CHED C#CC[C@@H](OC(=O)[C@H](CC)CCC)c1ccccn1 873502905 HAXNHJWPEPDIMG-UKRRQHHQSA-N 259.349 3.516 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc(Cl)no1 874461373 XNOWVMZOZDQFIA-UHFFFAOYSA-N 282.771 3.537 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1sccc1C#N 890611363 VLVBNSBAXJOEDL-AWEZNQCLSA-N 282.368 3.727 30 20 CHED C=CCCC(=O)N(C[C@@H](C)N(C)C)c1c(C)cccc1C 891568691 MPUCXXVNAGFBKE-MRXNPFEDSA-N 288.435 3.553 30 20 CHED N#CC1(CCCCn2nccc2-c2ccncc2)CCC1 902704742 JMBJQFPDSVXEFP-UHFFFAOYSA-N 280.375 3.809 30 20 CHED CCOCc1ccc(-c2cc(C#N)ccc2OCOC)cc1 904882451 UFUOYDVUIWXRMT-UHFFFAOYSA-N 297.354 3.744 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)O)c(C)cc1C 909512415 DMJILKYLRDLROG-INIZCTEOSA-N 275.348 3.542 30 20 CHED Cc1noc(C)c1C=NNc1cccc(C(F)(F)F)c1 916259918 JAZWANUCCKBUII-UHFFFAOYSA-N 283.253 3.756 30 20 CHED FC(F)(F)c1cccc(NN=Cc2ccccn2)c1 916260392 ZBXVODKBNDPKEE-UHFFFAOYSA-N 265.238 3.546 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1ncnc2sccc12 921256274 PAFSHMNTHJVFCJ-UHFFFAOYSA-N 294.383 3.762 30 20 CHED C=CC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccncc1 925073169 BCNZRTYFHXQVTH-HIFRSBDPSA-N 257.381 3.617 30 20 CHED C[C@@H](CCC#N)N1CC=C(c2c[nH]c3ccccc23)CC1 933820377 VCIDVLMBOILXRS-AWEZNQCLSA-N 279.387 3.949 30 20 CHED C[C@H](CC(=O)OCc1ccc(C#N)cn1)C1CCCCC1 1116793472 WRJZZXYKYRPDMK-CYBMUJFWSA-N 286.375 3.603 30 20 CHED CC[C@H](Nc1cccc(CC#N)n1)c1ccccc1OC 1118924390 POYYSULIARJIGA-HNNXBMFYSA-N 281.359 3.719 30 20 CHED CCCCC[C@@H](C(=O)N(C)[C@H](C)CC#N)C(C)C 1121281289 SERNKCZRXRRUEE-ZIAGYGMSSA-N 252.402 3.599 30 20 CHED COc1ccc2oc(C(=O)O[C@H]3CC[C@@H](C#N)C3)c(C)c2c1 1122638994 CGNIEAGMTSGEAS-YPMHNXCESA-N 299.326 3.599 30 20 CHED C=CC[C@H](C(=O)O[C@@H](C)CCCOC)c1ccccc1 1123324957 RNTUIBMOXVDAQO-HOCLYGCPSA-N 276.376 3.705 30 20 CHED C=C(CC)C(=O)N(Cc1ccco1)Cc1cccs1 1123591199 AAWIWEPUJWLMQX-UHFFFAOYSA-N 275.373 3.836 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)COCC1CCCCC1 1183920077 UQZKFQFXAVGGLQ-LSDHHAIUSA-N 280.456 3.890 30 20 CHED C=Cc1ccccc1NC(=O)NCc1ccc(C#N)c(F)c1 1208369258 PMZVYMYWLQXZCC-UHFFFAOYSA-N 295.317 3.662 30 20 CHED CN(C(=O)Nc1sccc1C#N)c1ccc2cc[nH]c2c1 1219354952 WWIMIIYZZUHRLN-UHFFFAOYSA-N 296.355 3.769 30 20 CHED C=C(CC)C(=O)N(C)Cc1csc2ccccc12 1263708342 KRYVXCPVVZNDBF-UHFFFAOYSA-N 259.374 3.826 30 20 CHED CSc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)co1 1265620742 SQGYMSPXUXJVNT-SNVBAGLBSA-N 287.340 3.791 30 20 CHED N#CCc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 1272973127 LYWLBBFKLPWZOM-IRXDYDNUSA-N 294.329 3.634 30 20 CHED Cc1cccc(-c2cccc(C(=O)N[C@H](C)CC#N)c2)c1 1293255450 VGPKGIUZADPGSF-CQSZACIVSA-N 278.355 3.694 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1318884028 RCACOOVHHUHBBJ-JKSUJKDBSA-N 297.402 3.911 30 20 CHED CC(C)(C)ON=Cc1cnn(-c2ccc(Cl)cc2)c1 1324558641 QFUOKCXNGIXNAZ-UHFFFAOYSA-N 277.755 3.675 30 20 CHED CC(=NNc1ccn(C)n1)[C@@H](C)c1ccc(Cl)cc1 1325013019 WTQDIIIWSHAZPQ-SNVBAGLBSA-N 276.771 3.665 30 20 CHED C=C(CNC(=N)Nc1ccccc1C)c1ccccc1 1326905801 MZGZPKPEYMLJTG-UHFFFAOYSA-N 265.360 3.645 30 20 CHED COC(=O)c1cccc(/C=C2\CCc3sccc3C2=O)c1 1332889791 XDCUQZRUBWGJNK-FMIVXFBMSA-N 298.363 3.747 30 20 CHED CC(=NNc1ccc(C#N)cn1)C1CCC(F)(F)CC1 1337008158 UAZNJSHPIIVMIX-UHFFFAOYSA-N 278.306 3.567 30 20 CHED N#Cc1c(NCc2cccc(C(F)F)c2)nc2ccccn12 1343161526 IEUPHPARRGUGBN-UHFFFAOYSA-N 298.296 3.756 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@](O)(C2CC2)C1 1344034149 DSWMSGCOPMFKGQ-GOSISDBHSA-N 295.467 3.891 30 20 CHED CCCC[C@@H](NC(=O)c1csc(C#N)c1)C1CCC1 1347825161 IJMMOLMCXBMFNA-CQSZACIVSA-N 276.405 3.708 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1nc(C#N)c(Cl)s1 1458064947 OSXPXCKKVHQANA-HRDYMLBCSA-N 269.801 3.905 30 20 CHED CC1(C)CC[C@H](N=c2cc[nH]c(C#N)c2)c2ccccc21 1458146006 STXMMSLOUJLFQJ-KRWDZBQOSA-N 277.371 3.600 30 20 CHED N#Cc1cc(=NCc2ccc(-c3cccs3)cc2)cc[nH]1 1458482507 NPDXNWZRZUBEIH-UHFFFAOYSA-N 291.379 3.716 30 20 CHED C=C(Br)CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 1473553967 UNNWTPHPLJMPQP-USWWRNFRSA-N 260.219 3.699 30 20 CHED CCC[C@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1 1520186844 JEUHIWAPRWSVOH-HNNXBMFYSA-N 271.364 3.549 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@@H](CCC)C1 1524061896 OWNJRMNBGIDRNJ-GFCCVEGCSA-N 298.381 3.808 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2(c3ccccc3F)CC2)c1 1525310958 WGQWZIXGBDUVTF-UHFFFAOYSA-N 294.329 3.676 30 20 CHED CCCN(CC(C)C)C(=O)[C@@H](CC#N)c1ccccc1 1525503813 PVBXIANENCUKHP-INIZCTEOSA-N 272.392 3.578 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 1526199887 HYBQRWZOSXTIHD-XAYKYTGQSA-N 296.370 3.526 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)Nc1cc(C#N)c(F)cc1F 1544828848 KPHIJHMBUITBGD-BJOHPYRUSA-N 278.302 3.601 30 20 CHED CCC[C@H](C)N(C)c1nccc(Oc2cccc(C#N)c2)n1 1559067425 JJRVMLTVQKBSDJ-ZDUSSCGKSA-N 296.374 3.765 30 20 CHED Cc1cc(C#N)cc(N[C@H]2C[C@@H](OC(C)C)C2(C)C)c1 1560884792 HLQBWSXXVSZHQU-JKSUJKDBSA-N 272.392 3.871 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCC1(C#N)CCC1 1564927245 PLXBGXRIUMKEFU-HUUCEWRRSA-N 291.439 3.586 30 20 CHED C=CC1(CC(=O)Nc2ccccc2C(=O)O)CCCCC1 1573350766 LXNGOKBNEISCOW-UHFFFAOYSA-N 287.359 3.850 30 20 CHED C#CCCCCCCNc1ccc(CCC(=O)O)cc1 1588441809 KMFSMWLOLWQUSF-UHFFFAOYSA-N 273.376 3.699 30 20 CHED CC(C)c1ccc(C(=O)/C=C/c2cc(C(=O)O)co2)cc1 1591943134 DSUKBQCFIUPKAR-BQYQJAHWSA-N 284.311 3.997 30 20 CHED O=C(O)c1cc(Cl)ccc1C(=O)/C=C\c1ccccc1 1602266138 OKXJEMNJHNQBJC-TWGQIWQCSA-N 286.714 3.934 30 20 CHED C=C(Br)CSCc1ccccc1C(=O)O 1602744906 QGDXVJNJPXPMAE-UHFFFAOYSA-N 287.178 3.527 30 20 CHED CC(CC(C)(C)CC(=O)O)=NNc1ccc(F)cc1F 1604124373 XVZIBMRTOTVXCD-UHFFFAOYSA-N 284.306 3.644 30 20 CHED CCC[C@H](NCc1cc(C#N)ccc1OC)C(C)(C)C 1617987503 PDUXADMGPKXCIZ-INIZCTEOSA-N 274.408 3.871 30 20 CHED Cc1cccc(CSc2cccc(F)c2C#N)n1 1643959206 TYBWETJINZASSA-UHFFFAOYSA-N 258.321 3.693 30 20 CHED COc1ccc(C#N)cc1NCc1ccc2[nH]ccc2c1 1651186238 FLAJEXYXBWSSTF-UHFFFAOYSA-N 277.327 3.660 30 20 CHED C[C@H]1Cc2cc(Nc3ncc(C#N)cc3Cl)ccc2O1 1655907619 WJLHJTMAOCAMQL-VIFPVBQESA-N 285.734 3.674 30 20 CHED C=C(Br)CNCc1cccc(C(C)C)c1 1657144611 PSHDFKUZWWHTMY-UHFFFAOYSA-N 268.198 3.808 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1cc(C(=O)O)c(C)o1)C2=O 1777455663 KOKPYZMJJGWYQI-UQDQQJHMSA-N 296.322 3.978 30 20 CHED CCCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 51786407 GESYZORGLJEBKN-UHFFFAOYSA-N 280.327 3.599 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 107202684 RTEUPNKQGDDRBK-CHWSQXEVSA-N 295.304 3.975 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1c1cccc(F)c1 175380501 BZWBGDQFFNXUFM-OAHLLOKOSA-N 261.340 3.846 30 20 CHED C=CCCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 102325563 XNJXMMHHAVCNDS-UHFFFAOYSA-N 280.371 3.750 30 20 CHED C=CCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 108296218 PKUASCSWUWGMPI-UHFFFAOYSA-N 286.419 3.505 30 20 CHED C=CCCC(=O)N(C)c1ccc(Br)cc1C 60365087 RPGRJNXVYJHSDK-UHFFFAOYSA-N 282.181 3.687 30 20 CHED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCc2cc(O)ccc21 60340067 LVAQJRMLBKDCDB-MDWZMJQESA-N 295.294 3.513 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 57435332 UFRUDDQDGGFTLH-RUDMXATFSA-N 274.266 3.870 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)cc2)cc1F 113649760 MTTSUBZVQUFCJX-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1cccc(F)c1 172697393 XRUYULLOEBDUHR-GFCCVEGCSA-N 282.318 3.634 30 20 CHED COC(=O)N(C)c1ccc(Nc2cccc(F)c2C#N)cc1 301153639 QISVVRMCZSSIJQ-UHFFFAOYSA-N 299.305 3.644 30 20 CHED C[C@@]1(C/N=C(/N)Nc2ccccc2)CCCc2ccccc21 305771156 KDWCKTNLJPCHJV-IBGZPJMESA-N 293.414 3.707 30 20 CHED N#Cc1ccc(NC[C@@H](c2cccs2)N2CCCC2)cc1 301082355 KCIMWDMYWUKTCN-INIZCTEOSA-N 297.427 3.869 30 20 CHED C=CCOCCCC(=O)N(CC)c1cc(C)ccc1C 173686450 WRZVAKHXHAVSMY-UHFFFAOYSA-N 275.392 3.639 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/Cc2cccc(O)c2)cc1 303789742 VRKCRXPLKKYJLD-CYBMUJFWSA-N 297.402 3.833 30 20 CHED N#Cc1cccc(C#N)c1NCCc1cc2ccccc2o1 302880800 IPAIWUKWZUMKRM-UHFFFAOYSA-N 287.322 3.831 30 20 CHED CC1(C)CCC[C@H](C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)C1 179382454 SHNHUHYEQWHKKG-DZGCQCFKSA-N 298.386 3.550 30 20 CHED CCc1ccc(-c2nc(CN(CC#N)C3CC3)cs2)cc1 63516200 PGAXKYVRSHCSCN-UHFFFAOYSA-N 297.427 3.860 30 20 CHED COc1ccc([C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 301175463 YUMMVRKHELTNNW-HNNXBMFYSA-N 296.345 3.700 30 20 CHED C#CCCCCC(=O)N[C@H]1CC(C)(C)c2ccccc21 120031527 OMMMTQXBVIJNPJ-INIZCTEOSA-N 269.388 3.719 30 20 CHED N#Cc1nc(NCc2nccc3ccccc23)ccc1Cl 67348774 BLBRWDUUEJFCAA-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C#N)ccc1C)C(C)C 123438420 QYLMQLIPFJQGOL-CQSZACIVSA-N 258.365 3.878 30 20 CHED CCCN(CC#N)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 129938019 CJNJHFWWMIVKLM-SJORKVTESA-N 284.403 3.676 30 20 CHED N#Cc1ccc(F)c(CN[C@H](c2ccccc2)C2CC2)c1 120207786 BQKKSPUQNAQAIP-GOSISDBHSA-N 280.346 3.938 30 20 CHED CCC(CC)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 128978052 LRAXXENNMHHLLX-CQSZACIVSA-N 278.783 3.847 30 20 CHED CCC(CC)[C@H]1C[C@H](NCc2cccc(C#N)c2)CCO1 180373535 PKUJROKFTJOFBF-QZTJIDSGSA-N 286.419 3.632 30 20 CHED C/C(=C\C(=O)O[C@H](C#N)C(C)(C)C)c1ccc(F)cc1 184930918 TXTZQCCLOOOLRU-CFRMROPGSA-N 275.323 3.710 30 20 CHED C[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)c1ccccc1 126675234 MPIMWZMTJFNLCO-UONOGXRCSA-N 279.339 3.966 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCC(C)(C)c2ccccc21 360647853 OCTBNNVRCAKRCP-WMLDXEAASA-N 273.420 3.573 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 123076286 UYJHTZJARXHXHT-MPGHIAIKSA-N 284.403 3.687 30 20 CHED C=C(C)[C@H](Nc1ccc(C#N)nc1)c1ccc(F)c(F)c1 185777448 MUCNNAPOERVCDQ-INIZCTEOSA-N 285.297 3.961 30 20 CHED CC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 483607137 NFZPXYLVFWZHNF-OAHLLOKOSA-N 260.356 3.708 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2cc(C#N)ccc2F)C1 362383764 BFZBMJNBISBPHK-CABCVRRESA-N 292.423 3.803 30 20 CHED N#Cc1ccc(NC(=O)C2=CCCC2)cc1C(F)(F)F 120006324 PHHKCMMFTKXQEP-UHFFFAOYSA-N 280.249 3.626 30 20 CHED Cc1cc(F)cc(NC(=O)Nc2ccc(C#N)cc2)c1 155090359 WCHMQUGPOOBQLX-UHFFFAOYSA-N 269.279 3.650 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416111802 VCRLNDLCWUTZBO-AEFFLSMTSA-N 282.387 3.654 30 20 CHED N#CCCN[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 414450149 WMJIDMJVMTVKRX-ZFWWWQNUSA-N 262.784 3.869 30 20 CHED COc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)c1 315911178 SBJCFMHZRFQLOR-NSHDSACASA-N 297.314 3.648 30 20 CHED Cc1nnc(SCCC2(C#N)CCCCC2)s1 412984867 RIXTUTGFWCETNQ-UHFFFAOYSA-N 267.423 3.803 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)c(OC)c(F)c1 125648302 AWVFYGIKRHVNJI-UHFFFAOYSA-N 281.302 3.680 30 20 CHED N#Cc1ccc(C2=CCN(c3ncccc3Cl)CC2)cc1 502798790 CDXJEPVFUHDOMM-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C=C[C@@H](CC(=O)NCC1(C(C)C)CC1)c1ccccc1 123952538 HSDXTTLTGLWFSS-HNNXBMFYSA-N 271.404 3.899 30 20 CHED Cc1ccc(-c2n[nH]c(S[C@@H](C)CCC#N)n2)cc1 412985488 SVACYTQOTOSKJU-NSHDSACASA-N 272.377 3.565 30 20 CHED CO[C@H](C)c1nc(CNc2cccc(CC#N)c2)cs1 453150826 SULFDOFOZDWENO-LLVKDONJSA-N 287.388 3.529 30 20 CHED CCn1cc(/C=C/C(=O)c2cc(C)c(F)c(C)c2)cn1 125382070 XFWSUQITNLWBKU-AATRIKPKSA-N 272.323 3.555 30 20 CHED C=C(Cl)CN(C)[C@H](C)c1sc(CC)nc1C 130841194 AGPJIXDLOYTPGB-SNVBAGLBSA-N 258.818 3.759 30 20 CHED C=C(C)CN(CC)C(=O)c1ncoc1-c1ccc(F)cc1 184960433 XQGZBYLPLJPIED-UHFFFAOYSA-N 288.322 3.519 30 20 CHED Cc1coc2ccc(NC(=O)N(CCC#N)CC3CC3)cc12 187958974 RCFOQYTZUYQPFZ-UHFFFAOYSA-N 297.358 3.899 30 20 CHED N#Cc1cccc(Cl)c1NCC1CCSCC1 78257911 SFEDLPJJBWAGSM-UHFFFAOYSA-N 266.797 3.767 30 20 CHED Oc1ccc(Cl)cc1/C=N/[C@H]1CCOC2(CCCC2)C1 128485545 NESDHCBHTFOACY-BGARDKSCSA-N 293.794 3.956 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H]1C1CCCC1 501269888 SNMSCLXBYONQHG-KRWDZBQOSA-N 284.403 3.721 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)Cc1cccc2ccccc12 502428143 YBPZEGHVOCGBOQ-LJQANCHMSA-N 294.398 3.827 30 20 CHED N#CC1(CCN2CCSC[C@H]2C2CC2)CCCCC1 411788268 MDEMUPNYPVXGQH-HNNXBMFYSA-N 278.465 3.678 30 20 CHED Cc1cccc(C2(C(=O)N(C)[C@H](C)C#N)CCCCC2)c1 410883381 AKNJCTXQFMXBIT-OAHLLOKOSA-N 284.403 3.567 30 20 CHED N#Cc1cccc(COc2ccc3c(c2)CCCC3=O)c1F 318653613 GKPWZDVPAFAJBN-UHFFFAOYSA-N 295.313 3.795 30 20 CHED CCCN(C)Cc1cccc(OCc2ccccc2C#N)c1 506439567 PSONESWLTBFQOF-UHFFFAOYSA-N 294.398 3.979 30 20 CHED CCCCN(C)C(=O)CS[C@@H](C)c1cccc(C#N)c1 189881026 XZFMGCABLFKZGI-ZDUSSCGKSA-N 290.432 3.611 30 20 CHED C=CCCCC(=O)Nc1ccc(C(C)=O)c(Cl)c1 180582403 ACJYPLPNOOKPME-UHFFFAOYSA-N 265.740 3.837 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N=c1cc[nH]cc1Cl 419013907 IVUAQELGGWTFLT-HNNXBMFYSA-N 283.762 3.518 30 20 CHED N#Cc1nnc2ccccc2c1N1CCC2(CCCC2)CC1 77226653 AJDOLXWGQXOEGR-UHFFFAOYSA-N 292.386 3.662 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C2CCCC2)[nH]n1 188431147 ZEOOWBXAGYJWEZ-OAHLLOKOSA-N 261.369 3.608 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2CC)cc1 73326043 CHSJNCRSOIUPFE-ZFWWWQNUSA-N 273.376 3.512 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 182371602 MRKPXSXKWIUUCO-VHSXEESVSA-N 276.405 3.729 30 20 CHED N#CCNC1(c2cccc(Br)c2)CCCCC1 132162728 LNWGRNQQCBIZRI-UHFFFAOYSA-N 293.208 3.722 30 20 CHED C=CCCOCCNC[C@H](C)c1cccc(Cl)c1 188197167 DEAVMFZIIZBHDH-ZDUSSCGKSA-N 267.800 3.626 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(C)s1 44766539 KKTIGYMHSUEZBF-LLVKDONJSA-N 264.394 3.564 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@@H](C)C1 508842587 YHFZWHMLARMSCV-GJZGRUSLSA-N 296.418 3.532 30 20 CHED CC(C)(C#N)CCCN1CCSC[C@@H]1C1CCC1 419356634 GSUHNLBUTJWFRY-CQSZACIVSA-N 266.454 3.534 30 20 CHED CN(Cc1cccc(Cl)c1)c1nc2c(cc1C#N)CCC2 42246279 VWKRNMPNADZNFI-UHFFFAOYSA-N 297.789 3.732 30 20 CHED CC(C)c1cc(CN[C@@H](C)c2ccc(C#N)cc2)on1 611438597 ZBBRNJBVNODFDL-LBPRGKRZSA-N 269.348 3.520 30 20 CHED C#Cc1cccc(NCc2cc(CC=C)c(O)c(OC)c2)c1 130515919 JRBUYRWKBXGCPW-UHFFFAOYSA-N 293.366 3.723 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCc1ccccc1 131660971 IAXRALQKNVTOMJ-UHFFFAOYSA-N 279.339 3.543 30 20 CHED CCc1ccc(CC)c(N/C(O)=N/[C@@H]2CCCOCC2)c1 329253742 ZIZNOYFJWYLIHN-OAHLLOKOSA-N 290.407 3.706 30 20 CHED CCCCN(CC)C(=O)Nc1cc(C#N)ccc1C 194591334 PIRRJMLFUFLJRI-UHFFFAOYSA-N 259.353 3.521 30 20 CHED COc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 130423813 BQQBNRGJUQVVHJ-GOSISDBHSA-N 280.371 3.830 30 20 CHED C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2)cc1 84907455 RDVOVJPDAOAIQX-CYBMUJFWSA-N 295.342 3.760 30 20 CHED Cn1ccc2cccc(N=C(O)C3CCC(=O)CC3)c21 329977359 GBHDYJVHSIUZDI-UHFFFAOYSA-N 270.332 3.526 30 20 CHED C=CC1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 89807876 QLCWRAWWHKDQMJ-UHFFFAOYSA-N 281.355 3.985 30 20 CHED CC(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1C 193703692 ZYNAYBNDVQSRET-UHFFFAOYSA-N 292.338 3.516 30 20 CHED C=C(C)CSc1nnc(Cc2ccccc2)n1CC 44176636 BEEOGXDOZLVJEH-UHFFFAOYSA-N 273.405 3.557 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@H]2CC[C@H](C)C2)c1 429752927 PTAGCXHQYDIVSM-ZFWWWQNUSA-N 288.391 3.904 30 20 CHED Cc1ccc(SCCN[C@H]2CCC[C@@H](C#N)C2)cc1 192616720 UCMGIIPMCPUHNP-CABCVRRESA-N 274.433 3.759 30 20 CHED Cn1cc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)cn1 49151277 DWZMBBPRSMOMCK-NSCUHMNNSA-N 281.142 3.623 30 20 CHED CC1=C(C(O)=Nc2c(C(F)F)n[nH]c2C)CCC1 329717329 XNAZVJFJVZFBIW-UHFFFAOYSA-N 255.268 3.744 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(COC(C)C)cc1 194558266 SUIHKQAZKDAWKT-UHFFFAOYSA-N 288.391 3.818 30 20 CHED CCc1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 43333511 GNELECYIWKLOKH-UHFFFAOYSA-N 293.370 3.785 30 20 CHED CSc1ccccc1COc1ccc(C#N)c(F)c1 511875711 MRUXBCDBIXHOPJ-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CN(CCCCc1ccccc1)C(=O)c1sccc1C#N 194598218 XNCFJWYALOKXKZ-UHFFFAOYSA-N 298.411 3.715 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCC[C@H](C)C1 512212091 MOAPMTHXMHFIBG-JKSUJKDBSA-N 291.435 3.976 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2ccc(OCC)cc2[nH]1 428038899 PDEFMHBLTYVCDH-AWEZNQCLSA-N 298.386 3.747 30 20 CHED Cc1nnc([C@@H](C)S[C@@H](C)c2cccc(C#N)c2)o1 190907381 VJBNJKDGQIXKKJ-VHSXEESVSA-N 273.361 3.805 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1csc(-c2cccs2)n1 80384916 ACYMTCMPTWWFLU-SNVBAGLBSA-N 292.385 3.577 30 20 CHED OC(=Nc1cccc(Cl)c1)N[C@H]1CCOC2(CCC2)C1 330195247 ZLQOYAVVDLKVQB-ZDUSSCGKSA-N 294.782 3.577 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 336528448 BHFWXQHUIBFGTH-MJGOQNOKSA-N 294.398 3.610 30 20 CHED CC1CCC(N(C)CCCC2(C#N)CCOCC2)CC1 337134031 MOPBDJBXWFKQEK-UHFFFAOYSA-N 278.440 3.597 30 20 CHED C[C@H]1CCC[C@H](NC2CCN(c3ccc(C#N)cc3)CC2)C1 513702199 FUYLZBFGDVTHEQ-YJBOKZPZSA-N 297.446 3.695 30 20 CHED Cc1cc(C)cc(Cc2noc(-c3ccc(C#N)s3)n2)c1 230996083 SUSODKDUUXQFHV-UHFFFAOYSA-N 295.367 3.877 30 20 CHED C=C(C)COCCN[C@H](CC)c1ccccc1OC(F)F 90450742 MMYOPVPTHAIYKU-CQSZACIVSA-N 299.361 3.921 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccsc1 512050851 DZJHQEIIEBQLLE-UHFFFAOYSA-N 257.402 3.979 30 20 CHED Cc1nc(C(=O)Nc2cccc3ccsc23)ccc1C#N 337461487 QFFKKIXHMVQLPG-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC(C)C[C@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 431166239 JCCBOXNBUOWXBI-INIZCTEOSA-N 284.403 3.626 30 20 CHED CN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCC(C)(C)C1 432220167 WMIZWQOFJOMOCU-ZDUSSCGKSA-N 289.354 3.740 30 20 CHED CNc1ccc(Cl)c(/C(O)=N/CC2(C)CCOCC2)c1 331240358 LGQGMDDUIOXUFY-UHFFFAOYSA-N 296.798 3.503 30 20 CHED Cc1ccc([C@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1 94591811 VQDRVWGQIMMNOJ-LBPRGKRZSA-N 281.315 3.948 30 20 CHED CC#CCOc1cc(Cl)c(Cl)cc1C(C)=O 434741775 IVIHHRSNNIETBV-UHFFFAOYSA-N 257.116 3.598 30 20 CHED Cc1nc2ccc(N=C(O)N3CC[C@@H]4CCC[C@@H]43)cc2o1 330231700 FBTRJJLKDCFOIM-FZMZJTMJSA-N 285.347 3.556 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1 331907275 YBWKAMNACUMHSL-GDBMZVCRSA-N 283.375 3.663 30 20 CHED C=CCCCCNC(=O)NCCC1CC(OC(C)(C)C)C1 433043961 LPVQHNXABAWTFI-UHFFFAOYSA-N 296.455 3.626 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccccc1OCC 432746725 FIWGPHJKRMVWSI-UHFFFAOYSA-N 276.380 3.809 30 20 CHED Cc1noc([C@@H](C)/N=C(/O)Nc2cccc(C(C)C)c2)n1 330439246 QZNJUEDGFSMERZ-SNVBAGLBSA-N 288.351 3.589 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)c(Cl)cc1F 439961691 INYBDZOGFXPPBE-UHFFFAOYSA-N 277.126 3.830 30 20 CHED C=C(Br)CN[C@H]1CCC[C@H](C(C)C)C1 230997926 JSLICQSZQVWQCB-RYUDHWBXSA-N 260.219 3.699 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 439386050 KHIVUBKDDSYUJU-LBPRGKRZSA-N 291.351 3.688 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccccc1Cl 432588392 ORWYYLWNZJERTM-UHFFFAOYSA-N 280.799 3.742 30 20 CHED CCO[C@@H](c1ccccc1)c1noc(C(C#N)(CC)CC)n1 528184462 YZURATKZJCLRIR-AWEZNQCLSA-N 299.374 3.777 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Oc2cccnc2)nc1 344051306 SDUCPSNFDJDNKF-KRWDZBQOSA-N 297.358 3.810 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)C2CC2)C1 248912920 VPMVWFACYSOUFB-XYPHTWIQSA-N 254.377 3.810 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc(C)n1 347374494 AAAKMXZCNWCROB-UHFFFAOYSA-N 266.388 3.621 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCCOc3c(F)cccc32)C1 248876688 RCRSTSIKEGTWNP-WWGRRREGSA-N 288.366 3.711 30 20 CHED CSCc1ccc(C(=O)NCC(C)(C)CCC#N)cc1 345877779 CSKZYZZNXQHOMC-UHFFFAOYSA-N 290.432 3.609 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 522653857 XWSWIMVINVARBI-BBRMVZONSA-N 272.392 3.710 30 20 CHED Cc1ccc(C#N)c(NCc2c(F)cccc2Cl)n1 346832506 OCAFERWYBGVIDD-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C[C@H](Cc1nnc(S[C@H](C#N)C2CC2)o1)c1ccccc1 601072961 YYHJYWJCNDDTMO-BXUZGUMPSA-N 299.399 3.810 30 20 CHED C[C@@H](C#N)CN(C)CCc1cccc(Cl)c1Cl 434539426 GVLVVKSQNADUJZ-JTQLQIEISA-N 271.191 3.627 30 20 CHED CC[C@H](CN(CC)C[C@@H](C#N)CCC#N)c1ccccc1 249450477 OISUOEGPFUHSFZ-IAGOWNOFSA-N 283.419 3.946 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(C#N)cc1 609034282 NKPPYSPZPLSKLV-ROUUACIJSA-N 298.430 3.822 30 20 CHED Cc1cc(=O)oc2cc(N=Cc3ccccc3O)ccc12 255027070 HBTSRRQZYVYNDA-UHFFFAOYSA-N 279.295 3.558 30 20 CHED CCN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCCC[C@H]1C 340119371 BBZNNJBDOHCPIF-PBHICJAKSA-N 284.403 3.793 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc2c(c1)ncn2C 342687143 ZULLDFJLRPOVBG-UHFFFAOYSA-N 291.398 3.762 30 20 CHED CCCC[C@H](CC)CNC(=O)c1cc(C#N)cs1 437331285 HYYBSPJVIZXVKC-NSHDSACASA-N 264.394 3.566 30 20 CHED COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1C1CC1 435669079 HLLBSHCGZAVWMS-UHFFFAOYSA-N 292.338 3.697 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@H](C)c1ccco1 342612409 COQRDMBPSNIJNH-CQSZACIVSA-N 279.380 3.562 30 20 CHED C=CCC(C)(C)c1noc(-c2sc(CC)nc2C)n1 340785040 XRIGAROBMMRLBV-UHFFFAOYSA-N 277.393 3.918 30 20 CHED CSc1ccccc1CN(C)C(=O)c1cccc(C#N)c1 348809654 MEDGZBJYBCKBNG-UHFFFAOYSA-N 296.395 3.552 30 20 CHED Cc1ccnc(NCC2(c3ccc(F)cc3)CC2)c1C#N 343438969 OCTYDUKUGDCNAZ-UHFFFAOYSA-N 281.334 3.545 30 20 CHED CCc1ccc(C=NOCCCC(C)(C)C#N)cc1 255238110 MCPCYAODJQCXCS-UHFFFAOYSA-N 258.365 3.929 30 20 CHED CC(C)c1coc(NC(=O)CC2(C#N)CCCCC2)n1 602394251 PAZCSNWXUBGRSD-UHFFFAOYSA-N 275.352 3.601 30 20 CHED C[C@@H](CCC#N)CN1CCO[C@@H](c2ccccc2Cl)C1 602462645 NUDBRECRSQPGNP-XJKSGUPXSA-N 292.810 3.653 30 20 CHED C=C(CC)CN[C@@H](C)CC(=O)Nc1cccc(Cl)c1 449733688 JICIQFCEGZNWGU-LBPRGKRZSA-N 280.799 3.613 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2ccc3ccccc3c2)o1 255129314 QULCFJIUVFFFPP-UHFFFAOYSA-N 296.282 3.892 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H](C)CCC#N)C1 351187066 VNVSZFYIBDSONV-BZUAXINKSA-N 256.393 3.865 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 609567668 JJNRPVSPZAABCP-INIZCTEOSA-N 278.355 3.766 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCC(F)(F)C1 359387467 YFNKDRVQUQPDOT-CQSZACIVSA-N 279.330 3.637 30 20 CHED C=CC[C@@H](CO)CNC(=O)[C@@H](CC1CCCCC1)C(C)C 537119516 QWZRFUMERCYADY-SJORKVTESA-N 295.467 3.530 30 20 CHED C=CCOCCCSCc1nc(-c2cccs2)no1 359149988 XXZCKDAKOFCQML-UHFFFAOYSA-N 296.417 3.624 30 20 CHED C=CCCCC(=O)Nc1n[nH]c(C)c1-c1ccccc1 531359832 VOEOXCBDALTMPL-UHFFFAOYSA-N 269.348 3.680 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1C[C@]1(C)C(C)C 354098331 WFTIWDRYXIPHKC-CXAGYDPISA-N 285.391 3.611 30 20 CHED N#CCCCCN[C@H]1CCCC[C@H]1c1ccccc1 268898088 LWANPWSKBCIMIE-IRXDYDNUSA-N 256.393 3.996 30 20 CHED C=C(C)CCNCc1ccc(Sc2ccccn2)o1 449477545 PJOMXUPPXJMVAC-UHFFFAOYSA-N 274.389 3.882 30 20 CHED CN1CCCN(Cc2cc(C#N)ccc2F)c2ccccc21 533392515 SHHZQZOGACGGOW-UHFFFAOYSA-N 295.361 3.544 30 20 CHED C=CC1CCN(Cc2cc(O)ccc2Br)CC1 353583413 BENXDRYCLJMLRB-UHFFFAOYSA-N 296.208 3.553 30 20 CHED C=CCCCc1nc(-c2ccc(Cl)cc2OC)no1 445674060 ROONYYFNJJFKDC-UHFFFAOYSA-N 278.739 3.907 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 539370196 XDZREXHWAJSNEZ-HZMBPMFUSA-N 276.767 3.520 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2cc(F)ccc21 618805251 NJRAFMSPRJYDEN-RTBURBONSA-N 292.357 3.962 30 20 CHED CC(C)CC(CC(C)C)C(=O)N[C@](C)(C#N)C(C)C 448842962 GVOPHLBRGHVIOY-MRXNPFEDSA-N 266.429 3.749 30 20 CHED CCC1(C(=O)Nc2sc3c(c2C#N)CCCC3)CC1 267416238 QVRDJKHHSJNTNK-UHFFFAOYSA-N 274.389 3.627 30 20 CHED Cc1cc(C(F)(F)F)ccc1CN[C@H]1CC[C@@H](C#N)C1 442870436 CVQRMDXHNZWPJQ-RISCZKNCSA-N 282.309 3.796 30 20 CHED CC(C)c1cc(N2CCC[C@@](C)(C#N)C2)nc(C(C)C)n1 612107858 JHJHKTXTDCGDFX-KRWDZBQOSA-N 286.423 3.853 30 20 CHED CCC[C@H](C)N(C)C(=O)NCc1ccc(C#N)c(Cl)c1 619828324 PQZKFNTVNBWXLS-NSHDSACASA-N 293.798 3.542 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)c3ccccc32)C1 617779277 YCFPPINTBDFKIT-WMLDXEAASA-N 297.398 3.561 30 20 CHED CCOc1cccc(CN(CCC#N)CC(C)(C)C)c1 353420938 WRWSIRAJBULSHY-UHFFFAOYSA-N 274.408 3.847 30 20 CHED N#Cc1cc(C(=O)Nc2cccc3[nH]ccc23)ccc1Cl 538684956 VJBHWDHNUFGOBE-UHFFFAOYSA-N 295.729 3.945 30 20 CHED C[C@@H](NC(=O)N[C@H](C)c1ccsc1)c1ccc(C#N)cc1 619756742 PDIZRNVZOPHMRO-VXGBXAGGSA-N 299.399 3.741 30 20 CHED C=CCC1(NC(=O)C2CCC(F)(F)CC2)CCCC1 619107559 DXZAIPKAOZZLJR-UHFFFAOYSA-N 271.351 3.817 30 20 CHED Cc1cc2cc(NC(=O)c3ccc(C#N)s3)ccc2[nH]1 362970100 RIEQMYPWEHHWKP-UHFFFAOYSA-N 281.340 3.662 30 20 CHED Cc1cccc([C@H](C)CNc2ccc([N+](=O)[O-])cc2C#N)c1 610160861 SAPPAAYBOUILKQ-CYBMUJFWSA-N 295.342 3.991 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(F)cc(Cl)c1)OCC 535209202 BMIOJEWHYYQSJS-CYBMUJFWSA-N 285.746 3.789 30 20 CHED N#CCCCCN1CCC(c2ccc(F)c(F)c2)CC1 264200039 PNQKDOIYERLMSE-UHFFFAOYSA-N 278.346 3.838 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](C)c1ccc(F)cc1F 454624587 ULBGVYKNVHHCCF-SNVBAGLBSA-N 282.334 3.537 30 20 CHED C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CCC(C)(C)C#N)C1 368267530 QCFDZSIOSHEYMX-TWMKSMIVSA-N 292.467 3.578 30 20 CHED C=CCCc1noc(C[C@H](C)c2ccccc2C)n1 453249962 WQVGUQJBRSFUPS-ZDUSSCGKSA-N 256.349 3.843 30 20 CHED C=CCCCN[C@H](C)c1nc(C(F)(F)F)cs1 279040844 XNZFKSFMVUPRRI-MRVPVSSYSA-N 264.316 3.779 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](NC2CCN(CC#N)CC2)CC1 610958721 GYUJHHFBTQNVEO-HOTGVXAUSA-N 291.483 3.559 30 20 CHED C=CCN(C(=O)C1(c2cccc(F)c2)CCCC1)C1CC1 543452659 MQLGKNSRFHDRAE-UHFFFAOYSA-N 287.378 3.815 30 20 CHED CCC(CC)(OC)c1noc([C@@H](C)c2cccc(C#N)c2)n1 361271617 KKISBAPTUMLRFZ-LBPRGKRZSA-N 299.374 3.755 30 20 CHED C[C@@H](Nc1cccc2c1OCCC2=O)c1ccc(C#N)cc1 368016130 BMEKVAYYQPNZRQ-GFCCVEGCSA-N 292.338 3.697 30 20 CHED C=CCC1(C(=O)Nc2nc(C(C)=O)cs2)CCCCC1 459925838 ZKXNRQXRPKNFDT-UHFFFAOYSA-N 292.404 3.811 30 20 CHED C=C[C@H](CC(=O)NC[C@@H]1C[C@H]1CC)c1ccccc1 452763368 GCXLRVIAYKKWLK-FMKPAKJESA-N 257.377 3.509 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1ccc(F)cc1F 540487559 VGDLKZMDYOZEBD-LBPRGKRZSA-N 296.361 3.851 30 20 CHED C=CCC1(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CCCC1 450790197 XYPHNTZFXKOTSG-ZDUSSCGKSA-N 287.407 3.929 30 20 CHED C#CC[C@@H](NC(=O)N1CC2(CCCCC2)C1)c1ccccc1 273656447 FYBXUCOXVIKERF-QGZVFWFLSA-N 296.414 3.727 30 20 CHED C=CCC[C@@H](NC(=O)c1cnn(C2CC2)c1)c1ccccc1 626216138 FZEGSLLAEKKJJA-QGZVFWFLSA-N 295.386 3.655 30 20 CHED C=C[C@H](CC(=O)N1CCc2ncc(C)cc21)c1ccccc1 623236189 RNBGYQIFPMFELT-OAHLLOKOSA-N 292.382 3.639 30 20 CHED C=CCN(CCc1ccco1)C(=O)NCc1ccccc1C 272291897 DKJQJBRFIRHRAB-UHFFFAOYSA-N 298.386 3.528 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2ccccc2C(F)(F)F)C1 274234523 UDMONOKBSFQKCF-TZMCWYRMSA-N 296.336 3.920 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(C#N)ccc1C 271639448 ZWCWSOOXETYPIO-JSGCOSHPSA-N 271.364 3.662 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccccc2C)CCC1 276752098 YHNZSNAKNWJVCR-UHFFFAOYSA-N 257.377 3.700 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C[C@H]1CCc2ccccc2C1 464162308 MOLRTXGMGMZOAD-LIRRHRJNSA-N 298.430 3.626 30 20 CHED CC(C)[C@H](NCC1(C#N)CC1)c1ccccc1Cl 540588474 RKJSASBGWXVEIQ-AWEZNQCLSA-N 262.784 3.930 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(C)CCC[C@@H]1C 460050376 AWGMQUVAVGIICC-HNAYVOBHSA-N 296.414 3.899 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCC[C@H]1F 556254520 WZXQARQQXKRSQJ-ZACQAIPSSA-N 272.367 3.806 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N(C)CC(C)C)c2c1 462386945 HFVZJMYHMPMVPJ-UHFFFAOYSA-N 267.376 3.816 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1ccc(C)cc1 468002197 WNDIDWWXFNSROZ-SFHVURJKSA-N 273.420 3.991 30 20 CHED C=CCC[C@@H](C(=O)NC[C@H]1CCSC1)c1ccccc1 280162389 NNAPVRADCBPEFI-GDBMZVCRSA-N 289.444 3.606 30 20 CHED COc1ccc(C#N)cc1NCc1ccccc1Cl 64554085 FZICEEQGJFHZCF-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=C[C@H]1CCCCN1C(=O)NC1CC(c2ccccc2)C1 466699603 KASGMHDMHAJYMZ-JCYILVPMSA-N 284.403 3.683 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](C)Cc1ccc(Cl)cc1 472589469 JHLIXMXCOVYEQR-CZUORRHYSA-N 281.827 3.530 30 20 CHED Cc1cc(OCC(=O)C(C)(C)c2ccccc2)ccc1C#N 475870907 RJHGFHMWAAOSOM-UHFFFAOYSA-N 293.366 3.792 30 20 CHED C=CCCCC(=O)N(C)CCCOc1ccc(Cl)cc1 479574947 OHQFLYGSHXSPED-UHFFFAOYSA-N 295.810 3.924 30 20 CHED C=CC[C@H]1N(C(=O)C2Cc3ccccc3C2)CCCC1(C)C 470299688 VUVJRDIUNXQNCI-GOSISDBHSA-N 297.442 3.995 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C2=C(C)CCC2)cc1 568174122 PHGIKFRXSMUFSO-KRWDZBQOSA-N 282.387 3.772 30 20 CHED Cc1cc(COC(=O)CCCCCC#N)c(C)s1 805696738 INQRSAWRTMMHAH-UHFFFAOYSA-N 265.378 3.882 30 20 CHED CCO[C@H]1CC(=NNc2c(C)cccc2CC)[C@H]1SC 807987457 GPKJOCSBCUUHQB-GOEBONIOSA-N 292.448 3.866 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCCN(Cc2ccccc2)C1 393775533 FGTHXWXWMCXUOO-ZWKOTPCHSA-N 272.436 3.595 30 20 CHED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1Cc1ccc(C#N)o1 290359638 GRWJAHBGUWCFFO-INIZCTEOSA-N 298.390 3.609 30 20 CHED Cc1cc(COC(=O)/C=C/c2ccccc2C#N)cs1 806022859 JZVJVCSRPWREML-VOTSOKGWSA-N 283.352 3.685 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc(Cl)c2ncccc12 802064431 QBCAKFLMVGSUEB-CYBMUJFWSA-N 288.734 3.593 30 20 CHED N#C[C@H]1CC[C@@H](N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)C1 294162700 PMYZPCQUTBOFFN-JEDBISTDSA-N 278.399 3.999 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OC)c(OCC)c1 292271718 NXHCEPLTDPLDFG-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C#CCCc1noc([C@H](C)c2cccc(CC(C)C)c2)n1 809397418 RTRCBHRAEYLVIP-CQSZACIVSA-N 282.387 3.986 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cccc(C(F)F)c1 802827034 PTNZIOBHGANVEK-AWEZNQCLSA-N 267.275 3.607 30 20 CHED C=CCCCC(=O)N(C)CCOc1ccccc1Cl 479527828 ZVGDLSAGQMTUKE-UHFFFAOYSA-N 281.783 3.534 30 20 CHED COc1cncc(/C=C/CCN2CCC(CCC#N)CC2)c1 567791255 LMWLHASJIIULTM-GORDUTHDSA-N 299.418 3.509 30 20 CHED CS[C@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C1 295016246 PZFOCXJFPMPIPS-JTQLQIEISA-N 286.322 3.519 30 20 CHED CCCCOCCON=C(c1ccccc1)C(F)(F)F 805527370 AACXBSMEDUMKMV-UHFFFAOYSA-N 289.297 3.786 30 20 CHED C=CCOCCCN[C@H](c1ccc(F)cc1)C1CCC1 470770534 CJWZJDDMUWICAV-KRWDZBQOSA-N 277.383 3.849 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2ccccc2c1O 818356961 SZJZLEDOLSOJBF-KCQAQPDRSA-N 280.371 3.888 30 20 CHED C=CCCN(C)C(=O)Nc1cc(F)ccc1OCC1CC1 485296415 XIUSXOQVNMCVNL-UHFFFAOYSA-N 292.354 3.654 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1c[nH]c2c(C)cccc12 488863570 IPEAGXRAHFDHGC-HNNXBMFYSA-N 282.387 3.586 30 20 CHED C#Cc1cccc(NC(=O)CCc2ccc(C)cc2C)c1 819405341 KLGNNQIEAIROOY-UHFFFAOYSA-N 277.367 3.856 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1O 815588682 VXEYCOWNYHNGEB-BDAKNGLRSA-N 259.271 3.636 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1ccc(C#N)cc1)C1CC1 485574860 HDIORRPAJPKSFY-GOSISDBHSA-N 290.366 3.748 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1F)C(C)C 481323867 XDGIOYOPLVCZFB-UHFFFAOYSA-N 263.356 3.919 30 20 CHED C#Cc1ccccc1CC(=O)O[C@@H](C)c1cccc(F)c1 810555433 ZMLOULRIIMPVDD-ZDUSSCGKSA-N 282.314 3.654 30 20 CHED C[C@@H]1SCCC1=NNc1c(F)cccc1Cl 814904855 BOMMSFUEPHLXOG-ZETCQYMHSA-N 258.749 3.772 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 815411395 OYOCWGUCLGGJFR-VXGBXAGGSA-N 259.340 3.529 30 20 CHED C=CCCCCOC(=O)c1cncnc1-c1ccccc1 811013321 PWOWTLQPDMNYNE-UHFFFAOYSA-N 282.343 3.657 30 20 CHED O=C(/C=C\c1cccs1)c1ccc(Br)nc1 811696079 IZHINOMADYSCOX-PLNGDYQASA-N 294.173 3.802 30 20 CHED c1cc2sccc2c(NN=C2CC[C@H]2C2CC2)n1 814809071 OHZCNAIELPHKCP-JTQLQIEISA-N 257.362 3.884 30 20 CHED Cc1cc([C@H](C)OC(=O)C[C@@H](CC#N)c2ccccc2)no1 810787699 DQVAJGXDBPTEBD-DZGCQCFKSA-N 298.342 3.675 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H]2CCCC[C@H]2C)c1 728481759 VAQCQVUPVMCADY-GDBMZVCRSA-N 269.388 3.847 30 20 CHED CCC(CC)CNN=Cc1ccc(SC)s1 814906531 YWGKRPOQLVLJPD-UHFFFAOYSA-N 256.440 3.830 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1coc2cc(F)ccc12 488874408 CLJSFNIAGAETAR-AWEZNQCLSA-N 287.334 3.682 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC(C)(C)[C@@H]1c1cccnc1 571645088 MGEGUIWTXVNSJG-YOEHRIQHSA-N 272.392 3.593 30 20 CHED CSc1ccc(N(C)Cc2ccc(C#N)cc2)cc1 481035568 MKWDUAJYHBYCEZ-UHFFFAOYSA-N 268.385 3.917 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCc2c(Cl)cccc21 815099840 GFCRQTCJCIJPGX-GFCCVEGCSA-N 285.721 3.655 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)c2ccccc2n1)C(C)(C)C 575903234 UOGUGLPDDXKYKB-LLVKDONJSA-N 281.359 3.727 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)cc1F 728231651 MTDUKVKIYKPJBY-UTCJRWHESA-N 286.302 3.744 30 20 CHED Cc1cccc(NC(=S)NN=C2CCC[C@@H]2C)c1C 729140460 IDWRCGVQAKMLKJ-NSHDSACASA-N 275.421 3.766 30 20 CHED N#CCOc1ccc(CSC2(CO)CCCCC2)cc1 829999252 XKOQWMVGKIPOHQ-UHFFFAOYSA-N 291.416 3.517 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCc2sccc2[C@H]1CC 820634547 FODSDDQKSZHRTC-GXTWGEPZSA-N 290.432 3.569 30 20 CHED CC(=NNc1ncccc1Cl)c1sc(C)nc1C 726737049 FWCMMNOSDLWLFW-UHFFFAOYSA-N 280.784 3.644 30 20 CHED CCc1nocc1CNc1ccc(OC(C)(C)C)c(C#N)c1 824722515 UZKJAIMVIJWHGE-UHFFFAOYSA-N 299.374 3.898 30 20 CHED C=CC[C@@H](NC(=O)[C@@H]1CCCCC1(F)F)c1ccncc1 825859695 VZEKWXBKUBTITN-UONOGXRCSA-N 294.345 3.641 30 20 CHED C[C@@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1 822503864 MRCHXLTYQBAJTN-RBSFLKMASA-N 272.392 3.598 30 20 CHED C=CCOc1ccccc1CNC(=O)C1CCC2(CC1)CC2 668577405 CQBQFZGYEUPFSJ-UHFFFAOYSA-N 299.414 3.838 30 20 CHED C=C(Cl)COC(=O)c1c[nH]cc1-c1ccccc1OC 726054588 SEMAELIVNXNMAY-UHFFFAOYSA-N 291.734 3.600 30 20 CHED C=C(C)CN(CCC)[C@@H](C)C(=O)Nc1ccccc1C 490041165 MBOUWZZNPSWCGO-HNNXBMFYSA-N 274.408 3.610 30 20 CHED C=C(C)COc1cccc(NC(=S)NCC(C)C)c1 727282893 HJTYYOQXVCZDLF-UHFFFAOYSA-N 278.421 3.584 30 20 CHED CC(=NNc1ccccc1F)c1ccc(C)c(C)c1O 728156747 ODHXUGQAPRCLMD-UHFFFAOYSA-N 272.323 3.984 30 20 CHED C#Cc1cccc(NC(=S)NCc2sccc2C)c1 726456877 KSRPJEATEFZBMH-UHFFFAOYSA-N 286.425 3.524 30 20 CHED N#CCCCCCC(=O)Nc1ccc(F)cc1NC1CC1 589840554 BKKGXOXPTFEDDH-UHFFFAOYSA-N 289.354 3.813 30 20 CHED C#CCOc1ccc(CNCC(=C)c2ccccc2)cc1 733325696 QGMKBYMWDOOAPG-UHFFFAOYSA-N 277.367 3.502 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(F)ccc2OC)C1 666501918 LEHUKDUXFPGLIW-LBPRGKRZSA-N 292.354 3.654 30 20 CHED Cc1cc(NN=C2CCC[C@@H]2CCC(C)C)ncn1 731935917 VRJDWCFLQIJZIW-CYBMUJFWSA-N 260.385 3.789 30 20 CHED Cc1nc(C#N)c(NN=C2CCC[C@H]2c2ccccc2)o1 732528623 RQOOIXQCUFJLMF-ZDUSSCGKSA-N 280.331 3.590 30 20 CHED CC[C@H](NCc1cccc(COC)c1)c1cccc(C#N)c1 902749535 SYZUHFIONGNRMS-IBGZPJMESA-N 294.398 3.946 30 20 CHED C=CCN(Cc1cnc2ccc(C)cc2c1)[C@H](C)COC 661239497 GUAYROJSQJLLAZ-OAHLLOKOSA-N 284.403 3.566 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1csc(Cl)c1 908660564 NQGAVLKYBAPFGK-NSHDSACASA-N 297.807 3.541 30 20 CHED CCO[C@H]1CC(=NNc2ccc(Cl)cc2)C1(C)C 736429041 NOWISMUSWKIJLF-ZDUSSCGKSA-N 266.772 3.943 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)CCC(F)(F)F)cc1 581615726 QVTVZWUMGPYCDC-ZDUSSCGKSA-N 298.308 3.615 30 20 CHED CC(C)c1cnc(CON=C2CCOc3ccccc32)o1 733304582 KIDPEVSBBUMLHG-UHFFFAOYSA-N 286.331 3.501 30 20 CHED CC#CCCNC(=O)C(CC)(CC)c1ccc(Cl)cc1 499053065 HMYGPDHCCDNMIZ-UHFFFAOYSA-N 291.822 3.927 30 20 CHED C=CCN(C(=O)/C=C\c1scnc1C)c1ccccc1 588517911 RMMJBUPZXOAYSO-KTKRTIGZSA-N 284.384 3.684 30 20 CHED C=CCC1(N[C@@H]2CCC[C@H](C3CC3)C2)CCOCC1 668551966 BDVUYBVFRZVBER-JKSUJKDBSA-N 263.425 3.670 30 20 CHED C=CCCCOC(=O)/C=C(/C)c1ccccc1OC 735533068 KQFFQNRXPBJMFF-SEYXRHQNSA-N 260.333 3.608 30 20 CHED C=CCN(C(=O)CO[C@H]1CCCC[C@@H]1C)c1ccccc1 497575898 XXHSBZNUNCXXIY-RDJZCZTQSA-N 287.403 3.801 30 20 CHED Cc1cc(C)cc(NC(=O)Nc2ccc(C#N)c(F)c2)c1 580249335 CXOSGFCRQLCXBJ-UHFFFAOYSA-N 283.306 3.958 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)NCc1ccc(C#N)cc1 581727821 NHFKLOYKYWORBR-OAHLLOKOSA-N 284.403 3.947 30 20 CHED CC(C)COc1ccccc1C(=O)[C@@H](C#N)c1ccccn1 731410282 GKZDYHXDIPMCHE-HNNXBMFYSA-N 294.354 3.606 30 20 CHED N#Cc1ccc(COC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c(Cl)c1 835334553 FYEZVMUHJNCECG-DYEKYZERSA-N 289.762 3.691 30 20 CHED Cc1ccc(/C=C2\CCc3c(cnn3C)C2=O)cc1Cl 588596103 ZADZJIUFTMTKAV-KPKJPENVSA-N 286.762 3.594 30 20 CHED C#CCOc1cccc(NC(=O)N(C)CCC(C)(C)C)c1 831448197 OYKUQGJIQOCSAR-UHFFFAOYSA-N 288.391 3.599 30 20 CHED CC[C@H](C)C(C)=NNc1cc(C(F)(F)F)ccn1 834983837 VBFNMTISFCRHKA-QMMMGPOBSA-N 259.275 3.934 30 20 CHED C[C@H](NN=C1CC[C@H](c2ccccc2)C1)C(F)(F)F 834999505 VGUUXBHATYDVLO-JQWIXIFHSA-N 270.298 3.851 30 20 CHED CC(C)(C)C#CC(=O)OCc1ccccc1C(C)(C)C#N 838373187 ZHTXLYSWPMUGPR-UHFFFAOYSA-N 283.371 3.580 30 20 CHED C#CCOC(=O)[C@@H](Oc1ccccc1CC)c1ccccc1 730626199 ZXRFITXIAWWEOS-SFHVURJKSA-N 294.350 3.546 30 20 CHED C=CCC(F)(F)C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 833610155 DPZAPWFVKOASCO-LSDHHAIUSA-N 293.357 3.898 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2cccc(Cl)c2F)C1 839064421 WOTUNBCYBZGQQN-PWSUYJOCSA-N 295.741 3.647 30 20 CHED Cc1cc(C)cc(COC(=O)c2cccc(CC#N)c2)c1 919310804 WOCYODWKIVUDHV-UHFFFAOYSA-N 279.339 3.727 30 20 CHED Cc1ccc(NN=Cc2ccc(-n3ccnc3)cc2)cc1 917022583 GCEGSXHHJOWTJA-UHFFFAOYSA-N 276.343 3.627 30 20 CHED CCCCCCCCC(=O)OCc1cn(C)nc1C 837437703 NJKWTPPSICFKPS-UHFFFAOYSA-N 266.385 3.522 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(Cl)c(F)c2)C1 839056966 RRWFLFXHSIQLEN-GXSJLCMTSA-N 281.714 3.718 30 20 CHED Oc1ccccc1/C=N\Cc1ccccc1OC(F)F 839386951 FPXKBVJZOFUDNQ-NVMNQCDNSA-N 277.270 3.613 30 20 CHED Fc1ccc2c(c1)C(=NNc1nc3ccccc3s1)CO2 918151567 YJLDEIRAVQLCNJ-UHFFFAOYSA-N 299.330 3.644 30 20 CHED COc1ccccc1CON=Cc1ccc(SC)cc1 836302419 ZUGDXEQSRFBGND-UHFFFAOYSA-N 287.384 3.968 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCCC23CCC3)c1 834967629 MHRUKZRJFYLVGD-UHFFFAOYSA-N 274.755 3.729 30 20 CHED CCNC(=S)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915124792 XFHZLKSMQTYZLX-MRXNPFEDSA-N 295.411 3.648 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cnc3cccc(C)n13)C2 749005221 IZUCOTFOTKDKJT-GDNBJRDFSA-N 288.350 3.774 30 20 CHED C#Cc1cccc(NC(=O)NCC2CCC(C)CC2)c1 919903160 IPOGVWGCJUDBPK-UHFFFAOYSA-N 270.376 3.616 30 20 CHED O=C(O)c1cc(NN=C[C@@H]2CC=CCC2)ccc1Cl 916259358 HMUYBGLZSAQQBH-SNVBAGLBSA-N 278.739 3.792 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H](C)c1ccc(C)o1 742664467 MIAPNCYXVGMUDN-AWEZNQCLSA-N 299.370 3.573 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 916269158 VLAXTDSJTROBKF-UHFFFAOYSA-N 295.342 3.920 30 20 CHED N#CC1(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCC1 596278222 NDELFOQOEJIUKL-UHFFFAOYSA-N 299.252 3.719 30 20 CHED Cc1cccc2c1C(=NNc1nccnc1C(C)C)CC2 841635919 REHMQYHIEQMNDV-UHFFFAOYSA-N 280.375 3.671 30 20 CHED CC(=NNc1cnccn1)c1cc2cc(Cl)ccc2o1 912961842 PJOXOCSHXAYDFD-UHFFFAOYSA-N 286.722 3.712 30 20 CHED CC#CCOC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 744988024 WOWBQJUDICPLOD-SJORKVTESA-N 264.324 3.510 30 20 CHED CC[C@H](CC1CCCC1)C(=O)NCCc1ccc(C#N)cc1 597892674 ZXRPLDSUKUUWCI-GOSISDBHSA-N 298.430 3.823 30 20 CHED N#Cc1cccc(C=NNc2nccc3sccc23)c1 915980483 XMWJYIDKZDZJQD-UHFFFAOYSA-N 278.340 3.614 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@H]1CCCOC1 847743920 KVLSKONNCDBJOV-LVQVYYBASA-N 280.408 3.727 30 20 CHED CCOC1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 595021365 CMZRLTBQOCIZDQ-ABHNRTSZSA-N 286.419 3.969 30 20 CHED CC(C)(CC#N)CNc1nc(C(C)(C)C)ccc1C#N 591175972 QUAJTEBURXSQSA-UHFFFAOYSA-N 270.380 3.603 30 20 CHED C=C(C)C/N=C(/Nc1ccccc1)N1CCCCC1 849097839 PWFKAPMJUGPGQU-UHFFFAOYSA-N 257.381 3.517 30 20 CHED C#CC[C@@H](OC(=O)CC1(CSC)CC1)C(C)(C)C 845512927 FWRFEMHKWVGPBS-GFCCVEGCSA-N 268.422 3.501 30 20 CHED c1cncc(CON=C2CCCCc3ccccc32)c1 746578245 ZPVHPEKLODUGRT-UHFFFAOYSA-N 266.344 3.729 30 20 CHED C[C@H](CCNC(=O)N1CCC[C@H](CC#N)C1)CC(C)(C)C 595592425 ZRVJFGONTIXQGX-HUUCEWRRSA-N 293.455 3.784 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC(F)(F)CC2)cc1 842521662 FSAFYZUQZKUDLP-UHFFFAOYSA-N 297.374 3.847 30 20 CHED CCOc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)nc1 591839150 ZMVVQODVZODZOF-CQSZACIVSA-N 295.386 3.545 30 20 CHED C=CCNC(=O)[C@H](C)SCC[C@@H]1CCc2ccccc21 596415567 LRELMACPIMPWAP-ZFWWWQNUSA-N 289.444 3.530 30 20 CHED N#C[C@@H](C(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1nc(C2CC2)cs1 842940861 KJRRHWSEKGGNDG-KZVDOYCCSA-N 286.400 3.633 30 20 CHED Cc1cccc2c1OC/C(=C/c1cc(F)ccc1F)C2=O 920067333 VXBMTQBRYDCKBB-GHXNOFRVSA-N 286.277 3.932 30 20 CHED Cc1cc(C)cc(NN=Cc2cc(C#N)cs2)c1 748076371 OZWQVGCGUANFST-UHFFFAOYSA-N 255.346 3.683 30 20 CHED N#C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)C1CCCCC1 840615896 OWFSUMOHFDGQOH-GVDBMIGSSA-N 299.370 3.511 30 20 CHED C=C(Cl)CNc1cc(Cl)c(OC)c(OC)c1 849317035 HWLYBLDDWLDTDY-UHFFFAOYSA-N 262.136 3.522 30 20 CHED C/C(=C\C(=O)O[C@@H](C)CC(C)(C)C#N)C(C)(C)C 851202879 MJEPOMNIKIKCMJ-OBIHZWKSSA-N 251.370 3.850 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)Cc2c(F)cccc21 755589951 HFQSVKSAHIKRMV-WMZJFQQLSA-N 274.241 3.926 30 20 CHED N#CC1(CSCCC2SCCS2)CCC1 853776864 WZKOVUAQQLYYEY-UHFFFAOYSA-N 259.465 3.610 30 20 CHED C#C[C@@](C)(CC)N[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 852101683 GPMOYWYNSVDSDM-KSSFIOAISA-N 297.402 3.806 30 20 CHED Cc1cccc2c1[C@H](NCC(C)(C)CCC#N)CC2 926426473 FYONAVOMFWXQFN-OAHLLOKOSA-N 256.393 3.902 30 20 CHED CCCCCCCNC(=O)Nc1ccc(N)c(C)c1 859705325 FOFBLQRELMQQMF-UHFFFAOYSA-N 263.385 3.669 30 20 CHED CC[C@@H](/N=C\c1cc(OC)ccc1O)c1ccc(OC)cc1 920947914 ZFMAUEKVSKFJQL-UEXNTNOUSA-N 299.370 3.980 30 20 CHED N#Cc1sccc1C(=O)OC[C@@H]1CCCCC1(F)F 923567846 VZXCQHKBLSJTCD-VIFPVBQESA-N 285.315 3.602 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccsc2Cl)C1 853129159 FQLLICLWXMLGGP-IUCAKERBSA-N 269.753 3.641 30 20 CHED Cc1cc(CON=CC2CC2)ccc1Br 853735962 GKYLOXDKYIQJHT-UHFFFAOYSA-N 268.154 3.670 30 20 CHED C=CCCC(CC)=NNc1nc2ccccc2n1C 750935260 ZRARROHCKDUPGR-UHFFFAOYSA-N 256.353 3.717 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](C#N)C(C)(C)C 759285164 DGZZNRDNIYTXAF-ZHZWZMEUSA-N 290.794 3.798 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)c1cccc(F)c1 851209892 QFOFECBTLAGSAM-RYUDHWBXSA-N 277.339 3.801 30 20 CHED C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 755127152 MMQZLFNVMGSZJY-SNVBAGLBSA-N 287.265 3.754 30 20 CHED CCCCCCCCNC(=O)CC[C@H]1CCCCO1 754849700 JELGZCRSBILMPL-OAHLLOKOSA-N 269.429 3.812 30 20 CHED CC(=NNc1nc(C(F)(F)F)cs1)C1CCC1 755903858 LMBSRYBFJHWJDK-UHFFFAOYSA-N 263.288 3.750 30 20 CHED CC(CCc1cccc(C)c1)=NNc1ncccc1[N+](=O)[O-] 759207395 WSAXNTYVPDCDKW-UHFFFAOYSA-N 298.346 3.719 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1ccc(Cl)s1 759347037 SOOFFQWRFVPORI-UHFFFAOYSA-N 295.722 3.769 30 20 CHED N#C[C@H](OC(=O)c1ccc2c(c1)-c1ccccc1C2)C1CC1 751176691 HEFPZUHRHFFYPO-SFHVURJKSA-N 289.334 3.717 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@H]2CCC[C@@H](C)C2)n1 750668669 VIBFNCBWRGUGEO-KGYLQXTDSA-N 276.405 3.844 30 20 CHED C=C[C@@H](OC(=O)[C@H](CC)SC)c1ccccc1 851451901 MVFAUWHEQXWWDO-OLZOCXBDSA-N 250.363 3.599 30 20 CHED C=C(Br)CNC(=O)c1ccc([C@H](C)CC)cc1 755239539 RDXCXOSWOPRIHX-SNVBAGLBSA-N 296.208 3.839 30 20 CHED C#CC[C@H](NC(=O)C[C@@H](C)CC(C)C)c1ccccc1 757594312 BOWAETPPMRHAND-RDJZCZTQSA-N 271.404 3.940 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2-c2ncco2)CC1 931982706 DUBSGFHULMTSFE-UHFFFAOYSA-N 283.331 3.526 30 20 CHED C[C@H](CCc1ccc(F)cc1)C(=O)OCCCCC#N 869863895 YQXXSOLKOQLNQI-CYBMUJFWSA-N 277.339 3.631 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](c1ccccc1)c1ccncc1 931858241 WVRQNGYUMXCMJG-KXBFYZLASA-N 294.398 3.890 30 20 CHED C=C[C@@H](OC(=O)[C@H](CCC)OCC)c1ccccc1 860883590 VJQSPNWWSUOYQJ-CABCVRRESA-N 262.349 3.662 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(SC(F)(F)F)c1 863619323 XCZAFOIGMOQAMN-MRVPVSSYSA-N 288.294 3.787 30 20 CHED CCCCCCCNC(=O)C[C@@H]1CCO[C@@H](CC)C1 862357774 GTZPTGORDWGZBN-CABCVRRESA-N 269.429 3.668 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(-c2nnc(CC)o2)c1 933865125 KXHYTWTVGCCOOS-LBPRGKRZSA-N 299.374 3.840 30 20 CHED C#CCOc1ccccc1-c1noc([C@H](C)C(C)(C)C)n1 761988763 BVYAEZVXXZSVLA-LBPRGKRZSA-N 284.359 3.898 30 20 CHED C(CCC1CCOCC1)=NNc1nc2ccccc2s1 764890975 HFCCUCVDEINBSC-UHFFFAOYSA-N 289.404 3.901 30 20 CHED CC(CSC(C)(C)C)=NNCC(F)(F)C(F)(F)F 863179157 DJPXCKYRQVSAEU-UHFFFAOYSA-N 292.317 3.681 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cccc2c1CCCC2 1116266835 QGZUVVYBMXZHQV-UHFFFAOYSA-N 289.378 3.946 30 20 CHED COCc1ccc(C=NNc2ccc(Cl)cc2)o1 764638794 BDDLMHZNHNUPMF-UHFFFAOYSA-N 264.712 3.525 30 20 CHED CCn1nc(C)c(C=NNc2c(F)cccc2Cl)c1C 769826253 CHCHAKGIBNAQQI-UHFFFAOYSA-N 294.761 3.758 30 20 CHED C#CCCCCCC(=O)N(CCCC)c1ccccn1 876083090 BKAHGAVPEJZUPN-UHFFFAOYSA-N 272.392 3.798 30 20 CHED Cc1cccc(CCCOC(=O)c2ccc(C#N)s2)c1 778130147 NWHUEGKHYLNVJF-UHFFFAOYSA-N 285.368 3.718 30 20 CHED C#CCCCCCC(=O)N(C)[C@H]1CCc2ccccc2C1 779941286 VANJELFKICLJQE-SFHVURJKSA-N 283.415 3.586 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1sccc1O 773148021 GIEIJGLFOLPODD-SNAWJCMRSA-N 296.294 3.951 30 20 CHED C#CCCCCCC(=O)N(CC=C)Cc1cccc(C#N)c1 779881219 JQSRYNHPXMWJCA-UHFFFAOYSA-N 294.398 3.657 30 20 CHED CCC(=NOCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 777462502 CRFADESTRAYHKK-UHFFFAOYSA-N 290.241 3.678 30 20 CHED C=C(Cl)CNC(=O)c1coc2cc(C)c(C)cc12 771369421 CARUZDIHWJBREP-UHFFFAOYSA-N 263.724 3.532 30 20 CHED CCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1C 873134397 ROEWMFLODKVXDJ-GOEBONIOSA-N 272.392 3.566 30 20 CHED C=C1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1 887608529 GHRMMMOSPXTFSD-UHFFFAOYSA-N 269.266 3.789 30 20 CHED C#CCCCCCc1nc(-c2cc(C)oc2C)no1 771613208 XDRQPFDFXQUREI-UHFFFAOYSA-N 258.321 3.683 30 20 CHED C#CC[C@H](NC(=O)CCCC(F)(F)F)c1ccccc1 770761389 LQAJKQFZZVYQRZ-ZDUSSCGKSA-N 283.293 3.600 30 20 CHED Cc1cc(/C=C2\Oc3cc(F)ccc3C2=O)cnc1Cl 773170928 FRIVSNRBQJYSJN-ACAGNQJTSA-N 289.693 3.799 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(C(=O)O)c2)c(C)c1 774117555 XWWLTABZUKBOOM-CLFYSBASSA-N 280.323 3.898 30 20 CHED Cc1cc(F)c(C(=O)O[C@H](C#N)C2CCCCC2)cc1F 776395791 BNXMFPSVCBXINX-OAHLLOKOSA-N 293.313 3.903 30 20 CHED CC(C)CC(=NOC1CCOCC1)c1cccs1 774430056 DJWUBIHOJFRVKJ-UHFFFAOYSA-N 267.394 3.694 30 20 CHED C=CCCCCNC(=O)Nc1nn(C(C)C)cc1Cl 889555151 DMZAXPACUMYKDT-UHFFFAOYSA-N 284.791 3.595 30 20 CHED Fc1cccc(Cl)c1CCON=C1CCCOCC1 778601684 KTZNLOXHINUZBM-UHFFFAOYSA-N 285.746 3.595 30 20 CHED O=C(O)c1ccc(/C=C2\CCc3ccc(F)cc3C2=O)cc1 776191640 FBUGMMJSIZLLHG-NTEUORMPSA-N 296.297 3.736 30 20 CHED C[C@@H]1CC(C(=O)Oc2ccc(C#N)cc2)C[C@@H](C)C1 779706085 KUIFGPWHJXBDJM-RYUDHWBXSA-N 257.333 3.536 30 20 CHED O=C(/C=C\c1cscc1Cl)c1cc(O)ccc1O 771860539 RYYRTGWRASBSFQ-IWQZZHSRSA-N 280.732 3.709 30 20 CHED N#Cc1ccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)nc1 889222623 WKDAAEZCPOBMAG-OAHLLOKOSA-N 298.390 3.530 30 20 CHED N#CC1(CCOC(=O)c2cnc(C3CC3)o2)CCCCC1 885324207 KDDMHOXFMADLGL-UHFFFAOYSA-N 288.347 3.573 30 20 CHED CCOCCON=C(CC(C)C)c1cccs1 774415846 VQUJHDRFHXRRSU-UHFFFAOYSA-N 255.383 3.551 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@H]1CCNc2ccccc21 1122374517 RZZZRTAEDBAQLC-CVEARBPZSA-N 298.430 3.933 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H]1CCc2ccccc2C1 779941285 VANJELFKICLJQE-GOSISDBHSA-N 283.415 3.586 30 20 CHED N#C[C@H](OC(=O)c1cc(F)cnc1Cl)C1CCCCC1 776399914 OOYHTGSBSHADCQ-LBPRGKRZSA-N 296.729 3.503 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)ccc1OC(F)F 889502308 IUXRTKXSDQRBQW-UHFFFAOYSA-N 287.281 3.968 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 889969092 BZRMIZSHAPQNLS-QZTJIDSGSA-N 299.414 3.769 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(-c2ccon2)c1 887102995 KJXCBOUTFGBHLX-UHFFFAOYSA-N 283.331 3.610 30 20 CHED CC(C)c1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1O 882653774 BEFIPNHWSLNMBV-GOSISDBHSA-N 298.386 3.928 30 20 CHED N#CC1(COC(=O)c2cncc3ccccc23)CCCCC1 783430860 LHAZWSHBYJYXGZ-UHFFFAOYSA-N 294.354 3.866 30 20 CHED CCc1ccccc1COC(=O)c1cc(C#N)cs1 782281211 OFVOGIISSASZJE-UHFFFAOYSA-N 271.341 3.539 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)Cc2cc(OC)ccc2[C@H]1C 782081581 KLIDPXWXBDITGQ-LSDHHAIUSA-N 299.414 3.723 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 785851149 JKLMOXBWKAIFLY-KUCQQTCKSA-N 275.779 3.920 30 20 CHED CCc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1N 783961748 IELQUTZBEMIIAJ-LBPRGKRZSA-N 294.354 3.621 30 20 CHED C=CCC(C)(C)c1nc(-c2cc3c(nc2O)CCCC3)no1 897223421 MGNRYYKUMHVSMP-UHFFFAOYSA-N 299.374 3.570 30 20 CHED CCN(CC)C(=S)SCc1ccc(C#N)c(C)c1 783085446 VJYHINAKWXGNCR-UHFFFAOYSA-N 278.446 3.727 30 20 CHED C#CCC1(C(=O)N2CCc3ccccc32)CCCCC1 788143189 NWMPVDTYOHRBRH-UHFFFAOYSA-N 267.372 3.550 30 20 CHED CCC(C#N)(CC)c1nc([C@H](C)c2cccc(F)c2)no1 897070004 RAXMKZBHVCXYSX-LLVKDONJSA-N 287.338 3.942 30 20 CHED COc1ccc(NN=Cc2ccccc2C(F)(F)F)nc1 780271812 XYMFZSWHYGQNAY-UHFFFAOYSA-N 295.264 3.555 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1sccc1Cl)OCC 785915180 YUWCCMIQGTXZNQ-LLVKDONJSA-N 288.796 3.816 30 20 CHED O=C(/C=C\c1cccc(OC(F)(F)F)c1)c1cncs1 787172055 HKTNIXCAVCQFEZ-PLNGDYQASA-N 299.273 3.938 30 20 CHED C=C[C@](C)(CCOC)C(=O)Oc1ccc2ccccc2c1 782196947 CIEHXXLVEIZWQO-GOSISDBHSA-N 284.355 3.974 30 20 CHED C=C(Cl)CNC(=O)CCC[C@H](C)c1cccc(OC)c1 788752312 UDELITSHGPIFSD-LBPRGKRZSA-N 295.810 3.838 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)C1=CCN(C)CC1 781183038 GFDQIMFWQVSWTL-INIZCTEOSA-N 294.483 3.894 30 20 CHED COC1(C=NNc2nccc3sccc23)CCCC1 790156886 HIAGGUUFFSJNKB-UHFFFAOYSA-N 275.377 3.653 30 20 CHED C[C@H]1CC[C@@H](Nc2c(C#N)cnc3ccccc23)C1 132736900 CSIKAAUPRJPGFL-WCQYABFASA-N 251.333 3.707 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc12 892639828 QXZUDVKYNPOUMR-UHFFFAOYSA-N 299.330 3.684 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1CCc1ccccc1 791066682 FPUVXTLOCCKUCK-ROUUACIJSA-N 298.430 3.595 30 20 CHED C#CCCCN[C@@H](CCCCOC)c1ccccc1 791608935 APWLKPZXJPKKNT-KRWDZBQOSA-N 259.393 3.547 30 20 CHED C=CCC1(C(=O)Nc2ccc(NC(=O)OC)cc2)CCC1 790354095 FYDACDVKRYGTTB-UHFFFAOYSA-N 288.347 3.550 30 20 CHED Cc1ccc(Cl)c(OC(=O)c2cc(C#N)oc2C)c1 797800482 DAHWYLUIZUUPKE-UHFFFAOYSA-N 275.691 3.641 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@H]2CCC(F)(F)C2)cc1 797586563 HEZGIZSUOQAEJT-KGLIPLIRSA-N 293.357 3.785 30 20 CHED CCCCCCCCOC(=O)C[C@@H]1CCC(=O)[C@@H]1C 796224310 NAMYUSJSJZLPHM-KGLIPLIRSA-N 268.397 3.895 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2ccsc2Cl)ccc1F 790175778 JJLUEZCVXMVECV-UHFFFAOYSA-N 299.714 3.895 30 20 CHED Fc1ccc(/C=C/C=NNc2ncccc2F)c(F)c1 794990763 PTDDVERCBJUYPO-WXWZNVQYSA-N 277.249 3.610 30 20 CHED CC(C)N(C)c1ccc(C=NN[C@H](C)c2ccccc2)cn1 790160193 XVMXTFOAWYRIIF-OAHLLOKOSA-N 296.418 3.611 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NNc1ncccc1C 790187639 YPVFEYSVOXZZEX-UHFFFAOYSA-N 298.346 3.719 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNc1ccc(OC)cn1 797403705 WIVOEFGSRXMRGE-RYUDHWBXSA-N 261.369 3.704 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1cnoc1C 799482970 IRIKKFBOQKOBDC-UHFFFAOYSA-N 283.253 3.838 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)Cc2ccccc21 1140140399 VRHRRCCXUSUXIK-UHFFFAOYSA-N 294.373 3.991 30 20 CHED CC[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C 1214367741 GNNOLRVRLDRYOD-QWRGUYRKSA-N 291.782 3.864 30 20 CHED C[C@H](NC(=O)c1ccccc1CC#N)C1CCCCCC1 1153920060 LXTYRGOQKTZDKH-AWEZNQCLSA-N 284.403 3.841 30 20 CHED N#Cc1cccc(Br)c1NCc1ccsc1 1184847425 HXYPRPNXHSLDGO-UHFFFAOYSA-N 293.189 3.994 30 20 CHED Cc1cc(C)c(C(=O)N(C)c2ccccc2C#N)s1 1517869959 YJZMYUVTBXDSQO-UHFFFAOYSA-N 270.357 3.513 30 20 CHED Cc1cccc(C2=CCN(c3ccncc3C#N)CC2)c1C 1307229069 BRBNYCCDIXGMTF-UHFFFAOYSA-N 289.382 3.864 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1ccc(C#N)cc1 1307357924 GHWVXLGGYVLJEZ-UHFFFAOYSA-N 282.730 3.971 30 20 CHED C[C@@H]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)[C@H](C)C1 1306967457 IQOOTGBWDYWETF-IWSPIJDZSA-N 269.801 3.905 30 20 CHED Fc1cccc(NN=Cc2ccc3c(c2)CCC3)c1 1318764124 FVGJHCSGAVHQFU-UHFFFAOYSA-N 254.308 3.760 30 20 CHED N#Cc1cccc(SCC(=O)c2cccs2)c1 1319273698 OMZJMEDQYCPVPE-UHFFFAOYSA-N 259.355 3.595 30 20 CHED C=CCN(CC=C)Cc1nc(Cl)ccc1Cl 753916572 ZQWBVSDVZJFMAO-UHFFFAOYSA-N 257.164 3.562 30 20 CHED C#Cc1ccc(CN(C)Cc2cc3ccccc3[nH]2)cc1 1324357987 GZURLINCSKNTNF-UHFFFAOYSA-N 274.367 3.781 30 20 CHED C=CCOc1ccc(C(=O)O[C@@H]2C=CCCC2)cc1 733434727 WFSPKPYSNQHNFL-OAHLLOKOSA-N 258.317 3.517 30 20 CHED C=CCCCCNCc1ccc(-c2cnn(C)c2)cc1 1322446253 QLOAUECEUPPWOM-UHFFFAOYSA-N 269.392 3.533 30 20 CHED CCOc1ccccc1COC(=O)c1cccc(C#N)c1C 1328632718 DCBSABCTAKYKFX-UHFFFAOYSA-N 295.338 3.622 30 20 CHED C#CC[C@H](CCOC)NCc1csc(Cl)c1Cl 1328789558 SOGQKHXMWSKHQU-SNVBAGLBSA-N 292.231 3.573 30 20 CHED CCCCCCCN1CCC(OCC2CC2)CC1 744429173 RQASHPGICUZYCN-UHFFFAOYSA-N 253.430 3.848 30 20 CHED CC(C)(C#N)CCOC(=O)C1(Sc2ccccc2)CC1 1324939475 QFQUCFMTLPURLJ-UHFFFAOYSA-N 289.400 3.794 30 20 CHED C[C@H](Nc1ncc(C#N)cc1F)c1cccc(F)c1F 1185856578 BWQURARRTBYNHF-QMMMGPOBSA-N 277.249 3.544 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 1336480219 ACLUHZHBPMOOIS-INIZCTEOSA-N 271.404 3.976 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1cccc(F)c1 695704008 IRQGUHDGJSPHFB-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1nc(C)c(C)s1 88521243 ZFDFDOSCWPQCME-UHFFFAOYSA-N 272.373 3.827 30 20 CHED C#CCN(C(=O)[C@@H](C)OC1CCCCC1)C1CCCCC1 1251853422 KOSJOMRKFVODBC-OAHLLOKOSA-N 291.435 3.519 30 20 CHED C[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)CS1 94472807 WHARJHPLDMDCBS-JSGCOSHPSA-N 276.405 3.675 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(F)c(OC)c2)c1 1335666060 HFNUCSYLXWIGNN-CLFYSBASSA-N 286.302 3.739 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCC(=O)c1ccccc1 1336758269 CYTOLHGVIQYNEL-INIZCTEOSA-N 285.387 3.607 30 20 CHED C#CCOc1cccc(NC(=O)c2sccc2Cl)c1 796267074 VIJQPAKAFBARHT-UHFFFAOYSA-N 291.759 3.666 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)C[C@H](C)c1ccccc1C 1345645916 CBHBRLBIMHKJID-HOCLYGCPSA-N 295.386 3.582 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H]1CCSc2ccccc21 1346917217 JFYNYUJORSRUPW-DOMZBBRYSA-N 275.373 3.707 30 20 CHED CC(C)c1ocnc1CN(Cc1ccc(C#N)cc1)C1CC1 1342193794 ALCRCXVKSLSQKV-UHFFFAOYSA-N 295.386 3.834 30 20 CHED CO[C@@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)C12CCC2 1194385812 SXXZWSPODMHFBM-HZPDHXFCSA-N 290.451 3.740 30 20 CHED N#Cc1ccc(CNCc2cccn2C2CC2)cc1Cl 1344068603 FJMFHOFUXKRVNB-UHFFFAOYSA-N 285.778 3.638 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1cccc(F)n1 1344004579 LVGFORVBBIPBTR-GJZGRUSLSA-N 296.345 3.666 30 20 CHED CC[C@H](Nc1ncc(Cl)c(C)c1C#N)c1ccccn1 1516004279 BGPWXLMTPDFRDA-ZDUSSCGKSA-N 286.766 3.873 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc(F)c1F 1514860025 VBYRXQIYWMLTKB-LLVKDONJSA-N 265.303 3.536 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)ccn1)c1ccc(F)c(C)c1 1521208465 KRIBZZLGFDECPD-MRXNPFEDSA-N 298.317 3.709 30 20 CHED C=C(CC)C(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 1520968904 FBZIOYKXEZFCKP-AWEZNQCLSA-N 298.386 3.886 30 20 CHED N#Cc1cncc(N2CCC[C@@H]2CCC2CCCCC2)n1 1458254250 NMKZMWUJUHAYAG-MRXNPFEDSA-N 284.407 3.678 30 20 CHED O=C(O)c1c(F)cccc1NN=C1CCC12CCCC2 1602230466 IHYLIHRDISJHMZ-UHFFFAOYSA-N 276.311 3.646 30 20 CHED C=CC[C@H](Nc1ccc2nc(C(F)F)sc2c1)C(=O)O 1602845748 VYLNSVZVJNAQFV-VIFPVBQESA-N 298.314 3.675 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cccc2ccccc12)C(=O)O 1602841741 FDGUJJYBISZLHI-BLLLJJGKSA-N 269.344 3.520 30 20 CHED N#Cc1ccc(Sc2nc3ccc(F)cc3s2)nc1 1472875984 JJGKFRCGHNZOIY-UHFFFAOYSA-N 287.344 3.853 30 20 CHED Cc1cc(Cl)ccc1/C=C\C(=O)c1cc(C(=O)O)co1 1610464893 DKGHTGRLKMBQSO-HYXAFXHYSA-N 290.702 3.836 30 20 CHED CN(Cc1cc(F)cc(F)c1)c1nc(C#N)c(Cl)s1 1472775663 BTUWIVWZZDDKJK-UHFFFAOYSA-N 299.733 3.583 30 20 CHED CCCC[C@@H]1CCC[C@H]1Nc1cc(C#N)nc(CC)n1 1472685005 JWTLNBPMNMRQKU-TZMCWYRMSA-N 272.396 3.681 30 20 CHED N#Cc1cnc(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c(F)c1 1612344991 FIINQMLHUDKJQF-DZGCQCFKSA-N 299.324 3.980 30 20 CHED Cc1ccc(CN(CC(C)C)c2cc(C#N)ncn2)c(C)c1 1612523781 YTKCCJSHYIDJNY-UHFFFAOYSA-N 294.402 3.628 30 20 CHED C=C(Cl)CN[C@H](C)c1ncc(-c2ccccc2)o1 1473356871 KZSDVTIMGIFFAP-LLVKDONJSA-N 262.740 3.745 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1ccc(F)c(C#N)c1 1470199757 DWMFOAMZYGWRNA-UHFFFAOYSA-N 297.333 3.770 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)C1 1631122929 OZSFEOYWLQLAMV-KBAYOESNSA-N 298.430 3.701 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2sccc2C#N)[C@@H]1C 1563024517 MTFQMNLQFIMNHT-WZRBSPASSA-N 291.420 3.814 30 20 CHED CCCN(Cc1ccc(C)cc1)c1ccnc(C#N)c1 1639614814 ZHEKYQBDKROIQM-UHFFFAOYSA-N 265.360 3.678 30 20 CHED CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CC1(C)C 1647873610 WVBHPWDCPROFER-CYBMUJFWSA-N 294.345 3.638 30 20 CHED C=CCCCC(=O)N[C@@H](CCC(=O)O)CC1CCCCC1 1573357340 LQZLOADOMOOYOH-HNNXBMFYSA-N 295.423 3.663 30 20 CHED C=C(C)CCC(=O)Nc1ccc2sc(C(=O)O)cc2c1 1573323658 FDDBBFYTAJQRSC-UHFFFAOYSA-N 289.356 3.894 30 20 CHED CC[C@H](NCc1ccc(CC#N)cc1)[C@@H]1CC1(C)C 1659059100 JJAUAFAEGPGMPD-HOTGVXAUSA-N 256.393 3.667 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(C#N)c1F 1659100341 FKXHDVMVLGGCIS-ZDUSSCGKSA-N 293.345 3.762 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CCc1ccc(C)c(Cl)c1 1585343286 XIKZWYVAYMSVDA-AWEZNQCLSA-N 292.810 3.732 30 20 CHED C=C(CNC(=O)c1cc(F)ccc1CC)c1ccccc1 1584316610 SSRMAJXWPCGHGS-UHFFFAOYSA-N 283.346 3.831 30 20 CHED CC(C)c1ccccc1NCc1cccc(C(=O)O)c1C#N 1591998035 LDMPFTJOOTUWMD-UHFFFAOYSA-N 294.354 3.992 30 20 CHED CC(C)c1ccc(/C=C\C(=O)c2cc(C(=O)O)co2)cc1 1591949299 SSBLIVZYNKXXNV-YVMONPNESA-N 284.311 3.997 30 20 CHED CC1(C)CCC[C@H](CNC(=O)Nc2sccc2C#N)C1 1672817690 BDAKOERAUXVTDT-NSHDSACASA-N 291.420 3.958 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(/C=C\C(=O)O)o2)c1 1776126929 BIQMARNBSJQTLQ-ZWOQCJTASA-N 282.295 3.582 30 20 CHED CC(C)(C)c1oncc1/C=C\C(=O)c1cccc(C(=O)O)c1 1776287094 YNAJXUQRHXSPJJ-FPLPWBNLSA-N 299.326 3.566 30 20 CHED Cc1ccc(C#N)c(NCCc2c[nH]c3cc(F)ccc23)n1 160945675 TWQUXEUHCBWRQJ-UHFFFAOYSA-N 294.333 3.537 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)nn1)c1ccc(C#N)cc1 164635932 KPPRJDVAMNULCC-VIFPVBQESA-N 292.264 3.540 30 20 CHED COc1ccc(C#N)cc1COc1cc(C)ccc1C(C)=O 152716370 OCNSTOUDLVUXJT-UHFFFAOYSA-N 295.338 3.657 30 20 CHED CCc1ccccc1NC(=O)N(CCC#N)Cc1ccco1 156063509 JHESMJCXQIMKHU-UHFFFAOYSA-N 297.358 3.790 30 20 CHED C=CCN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 154206916 GPFIWGNODUJQIY-LBPRGKRZSA-N 282.387 3.551 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 156591896 ZQMILESKUDEQPP-HNNXBMFYSA-N 276.355 3.542 30 20 CHED C=CC[C@H]1CCCN(Cc2cccnc2Cl)C1 852411054 ROFNAQRNFBJWKL-LBPRGKRZSA-N 250.773 3.523 30 20 CHED CC(C)(CNc1cccc(C#N)c1)c1ccccc1 227666769 KYSHIENWVNMZBC-UHFFFAOYSA-N 250.345 3.948 30 20 CHED C[C@@H](NCc1cccc(Cl)c1O)c1ccc(C#N)cc1 158094320 GBFPUQDEIVVWCY-LLVKDONJSA-N 286.762 3.768 30 20 CHED N#Cc1cc(N2C[C@H]3CCC[C@@H]3C2)ccc1C(F)(F)F 158140514 NIQKHEAOVQQOPV-GHMZBOCLSA-N 280.293 3.813 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 37748254 ZYCBFPVZPVMYMW-AWEZNQCLSA-N 250.345 3.718 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)ccc1[N+](=O)[O-] 37987973 HZJRFHLQCOMELK-UHFFFAOYSA-N 254.245 3.567 30 20 CHED C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCCC#N 349301697 QXGRKBUXLYQKEN-LLVKDONJSA-N 296.823 3.631 30 20 CHED CCCCC1CCC(C(=O)N(C)[C@@H](C)CC#N)CC1 63093969 LDBWNIQGUNUXEN-NFOMZHRRSA-N 264.413 3.744 30 20 CHED C=CC[C@@H](C)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 400602062 WYOASPOZUISWJL-ZIAGYGMSSA-N 296.455 3.576 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(CC)c(C)c2)n1 308367432 IRDYIKNTCKWQAJ-UHFFFAOYSA-N 266.348 3.525 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 332704115 WIMPQYGSYYSGHX-RRFJBIMHSA-N 276.424 3.649 30 20 CHED CCOc1cc(F)ccc1NCc1cc(C#N)cs1 93686694 LQPTYERCZLLXPC-UHFFFAOYSA-N 276.336 3.770 30 20 CHED CC(C)(C(=O)N1CCC(CCC#N)CC1)C1CCCC1 572963444 CIAOGDHNXSFCKS-UHFFFAOYSA-N 276.424 3.745 30 20 CHED CN(Cc1ccccc1)[C@@H]1CCN(CCCC(C)(C)C#N)C1 364226952 AMZPGWLWGZUPBW-GOSISDBHSA-N 299.462 3.523 30 20 CHED C#CCCCN[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 382339634 XWVXXHQYCBRFTB-CGTJXYLNSA-N 255.405 3.962 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2CC23CCCCC3)c1 564418943 KZIIBNLQTWLEOY-HNNXBMFYSA-N 268.360 3.662 30 20 CHED Cc1c(C(=O)OCc2cccc(C#N)c2)oc2ccccc12 4581816 XIQIKQQKZGAIMK-UHFFFAOYSA-N 291.306 3.970 30 20 CHED CCc1cccc(NC(=S)Nc2cccc(C#N)c2)c1 7351691 KCNOBCQNAJTNHS-UHFFFAOYSA-N 281.384 3.930 30 20 CHED Cc1ccccc1NC(=O)Nc1ccc(F)c(C#N)c1 113565469 FBGAMMGLOUHXDS-UHFFFAOYSA-N 269.279 3.650 30 20 CHED C#CCCCNC(=O)Nc1c(CC)ccc(Cl)c1CC 174521425 GZUBVGOZYSLPNJ-UHFFFAOYSA-N 292.810 4.000 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc(-c2ccc[nH]2)cs1 177084588 PBXJODALWJBXQH-UHFFFAOYSA-N 287.388 3.845 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc(O)c(F)c1 170851947 FZBRHDRBTJYCDT-SNAWJCMRSA-N 262.305 3.797 30 20 CHED CC(C)[C@@H](CNC(=O)c1cccc(C#N)c1)c1ccccc1 27624902 KSCSUGNXTGXERR-GOSISDBHSA-N 292.382 3.728 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)NCc1cccc(C#N)c1)C1CC1 175264469 KNWUDQCYLFQHNS-KBPBESRZSA-N 299.418 3.667 30 20 CHED C=C(Br)CSc1nncc2ccccc12 103260025 ZTIJHFBXAIJVQK-UHFFFAOYSA-N 281.178 3.631 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(F)cc2F)c1 103028106 WRJJKNAKRNSBSN-UHFFFAOYSA-N 285.293 3.613 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(C#N)c2)c(F)c1 54841780 DKDHBWBALHRVAP-VMPITWQZSA-N 281.286 3.602 30 20 CHED CCC[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 69514804 PUWCQVOWGPCWMN-AWEZNQCLSA-N 272.392 3.731 30 20 CHED Cc1cc(C2=NN/C(=N\c3ccccc3C)SC2)c(C)[nH]1 23622511 NKVVOLBEJSBCKI-UHFFFAOYSA-N 298.415 3.668 30 20 CHED CC(C)CN(Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C 179702840 IPOVYTGFAPPJAR-HNNXBMFYSA-N 274.408 3.844 30 20 CHED C=CCCCSCC(=O)NCc1cccc(Cl)c1 117945057 SJRCOOQSXFWPQD-UHFFFAOYSA-N 283.824 3.656 30 20 CHED Cc1cc([C@@H](C)NC(=O)Nc2ccc(CC#N)cc2)c(C)o1 65359351 MMIVWKYFSFBJNW-GFCCVEGCSA-N 297.358 3.845 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)C2(C)CCCC2)c(C)c1 69579262 UZDLKTWZDNMVNE-UHFFFAOYSA-N 295.404 3.529 30 20 CHED C=CCNc1cc(F)c(Br)c(Cl)c1 306164543 AMXYNIUWVUWHLN-UHFFFAOYSA-N 264.525 3.840 30 20 CHED CSc1ccc(CNCc2cccc(OCC#N)c2)cc1 113346852 UTDLESZVDNNFJP-UHFFFAOYSA-N 298.411 3.601 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2cccc(C#N)c2)C1 173658696 KDKBSORCYZYSLJ-KRWDZBQOSA-N 270.376 3.601 30 20 CHED C[C@@H]1CN(C(=O)C2(C#N)CCCC2)CC[C@@H]1c1ccccc1 173946666 WDZJWKGMZSEFIK-WBVHZDCISA-N 296.414 3.723 30 20 CHED C=C(Cl)CN1CCC(Oc2ccc(C)cc2)CC1 116994174 JOMCALRBXHUKAU-UHFFFAOYSA-N 265.784 3.591 30 20 CHED CCOCc1ccc(Nc2cccc(F)c2C#N)cc1 301457007 SHHZRZVUIDULSC-UHFFFAOYSA-N 270.307 3.977 30 20 CHED CC[C@H](CNc1nc2c(cc1C#N)CCC2)CC(F)(F)F 402728872 FUZKRORKDVLLJW-JTQLQIEISA-N 297.324 3.832 30 20 CHED C#CCCCCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 119744369 QZGNIPSUJQDEKM-SFHVURJKSA-N 281.399 3.859 30 20 CHED C=CCC(CC=C)C(=O)N(CC)Cc1ccc(OC)cc1 176935853 AMIZRYDDODHQGC-UHFFFAOYSA-N 287.403 3.812 30 20 CHED C[C@H]1[C@H](C)CCN1c1ccc(C#N)cc1C(F)(F)F 301499282 WCTZKXLSBADCAF-ZJUUUORDSA-N 268.282 3.812 30 20 CHED O=C(C#Cc1ccccc1)c1ccc(C(F)(F)F)cc1 141355348 MWGLXUHTYIHCES-UHFFFAOYSA-N 274.241 3.940 30 20 CHED CCCCCCCCC(=O)N1[C@H]2CC[C@H]1CN(CC)CC2 177795791 WXOJTMCMRDHXLB-IRXDYDNUSA-N 294.483 3.822 30 20 CHED CCSCC[C@H](C)N(C)c1ccc(C#N)cc1F 301739989 KBSUQOZJEMTOAD-NSHDSACASA-N 266.385 3.665 30 20 CHED COCc1cccc(CNc2c(F)cc(C#N)cc2F)c1 111143329 VFDORYHWZWDZAK-UHFFFAOYSA-N 288.297 3.595 30 20 CHED C=CCNC(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 69716688 MFRNJPBONSDIME-JKSUJKDBSA-N 272.392 3.540 30 20 CHED C[C@@H](NC(=O)CC1CCCCC1)c1ccc(C#N)cc1 26112958 MBXUOJZWXMXPEX-CYBMUJFWSA-N 270.376 3.706 30 20 CHED CCSCC[C@@H](C)Nc1ccc(Cl)c(C#N)n1 301504439 CEIQCWSXBBYTAV-SECBINFHSA-N 269.801 3.550 30 20 CHED CC1(C)CCCN(Cc2cc(Cl)ccc2F)[C@H]1C#N 444718244 KJTYLKHSEVKZHW-AWEZNQCLSA-N 280.774 3.993 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1 177594560 HBYYYSDLNVPJQT-UHFFFAOYSA-N 296.301 3.514 30 20 CHED C=CCCSc1nnc(COc2ccc(C)cc2)o1 128758713 DCNOIONSBGSRBG-UHFFFAOYSA-N 276.361 3.625 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 186026215 XFNXHTXBECPZPT-QGZVFWFLSA-N 276.339 3.857 30 20 CHED C[C@@H]1CCC[C@@H](CN(CCC#N)Cc2ccco2)C1 356987370 PYQIOISVSGBWEU-HUUCEWRRSA-N 260.381 3.822 30 20 CHED Cc1cc(C)c2cc(C(=O)N(CC#N)C3CCCC3)[nH]c2c1 128324271 DSAGRGMYRFRQCZ-UHFFFAOYSA-N 295.386 3.693 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1F 37493855 LROKTSDFKJOITH-ZDUSSCGKSA-N 284.334 3.579 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCCC1=CCCCCC1 186842940 IGBOOWULDNKIHY-KRWDZBQOSA-N 279.424 3.612 30 20 CHED C=C[C@H](CC(=O)N1C[C@H]2CCC[C@H]2C1)c1ccccc1 126247546 KHIHMGVOJRYJDZ-OIISXLGYSA-N 269.388 3.605 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)/C=C/c2ccccc2C#N)C1 33100571 YYQUWFFTIZJPEA-KETGZPNNSA-N 282.387 3.609 30 20 CHED CCN(C(=O)C1CC(C)(C)C1)[C@H](C)c1ccc(C#N)cc1 506756586 ASSHBJLNRVLAKV-CYBMUJFWSA-N 284.403 3.904 30 20 CHED C=CCCCN(C)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 125748343 CXTSISIPMBJAJU-IRXDYDNUSA-N 286.419 3.930 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc(C(C)C)nc2ccccc12 183953779 OLIMKCFNOVPIIH-CYBMUJFWSA-N 295.386 3.780 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cccc(F)c2F)CCC1 189904798 LQRUCOOKHPCTHD-LLVKDONJSA-N 279.330 3.888 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(Cc2ccccc2)CC1 315392792 SCWGOJCHAXOAED-UHFFFAOYSA-N 298.430 3.798 30 20 CHED Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C#N)C(C)(C)C 184932451 CULNJVXLKQNWFM-CYBMUJFWSA-N 298.342 3.745 30 20 CHED C#CCCCCC(=O)Nc1sc2c(c1C#N)CCCC2 186617190 SMFIWPFSCWLIHT-UHFFFAOYSA-N 286.400 3.631 30 20 CHED C=C[C@H](CC(=O)NC1(C#N)CCCCC1)c1ccccc1 123079613 SACOCOVDHWUVKB-OAHLLOKOSA-N 282.387 3.689 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(C#N)CC2)CC1 187435075 CFAZHGSHLXBYES-JKSUJKDBSA-N 291.439 3.536 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc(CCC)cs1 189086106 ILDOWCWUNXJSPC-ZDUSSCGKSA-N 252.383 3.636 30 20 CHED C[C@@H](NC(=O)CCCc1ccccc1)c1cccc(C#N)c1 75269166 BPLPVVGUSYITQZ-OAHLLOKOSA-N 292.382 3.758 30 20 CHED C=CCN1CCC(N[C@H](C)c2csc(C(C)C)n2)CC1 186325325 NJFHBINUQRXBGP-CYBMUJFWSA-N 293.480 3.568 30 20 CHED Cc1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)oc1C 76153193 AIGNHODFCVACSB-DLBZAZTESA-N 295.386 3.563 30 20 CHED Cc1nc(C)c(CNc2ccc(C#N)c(C(F)(F)F)c2)o1 314673930 CYNCZSPVCKEBQN-UHFFFAOYSA-N 295.264 3.794 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1cccc(Cc2ccccc2)c1 411420946 MLTHMUGFEGHNFS-HNNXBMFYSA-N 292.382 3.509 30 20 CHED C[C@]1(C(=O)Nc2ccc(CC#N)cc2)C[C@@H]1c1ccccc1 411271201 QQPGRRRDHQXLPB-MJGOQNOKSA-N 290.366 3.885 30 20 CHED CS[C@H]1CC[C@H](Nc2c(Cl)cccc2C#N)C1 78477475 MKEARTJXUZOMBM-QWRGUYRKSA-N 266.797 3.908 30 20 CHED CC[C@@H](NCCC#N)c1cc(F)cc(Br)c1 411560443 JZHSLLWOCKEDBB-GFCCVEGCSA-N 285.160 3.543 30 20 CHED C=CCC[C@@H](NC(=O)NCC1(C#N)CCC1)c1ccccc1 419470234 AKQFKJNMNPRPON-MRXNPFEDSA-N 297.402 3.687 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCSc2ccc(F)cc21 185071779 NRNAAKFZEYUFIB-CQSZACIVSA-N 291.391 3.672 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1 416782830 SRVRUQFCWYTBEY-MELADBBJSA-N 288.391 3.760 30 20 CHED N#Cc1ccccc1OCCOc1cccc2ncccc12 181578618 YJXSRRHWSUNYCP-UHFFFAOYSA-N 290.322 3.564 30 20 CHED C=CC[C@H](C)NCc1cscc1Br 286515027 MXPBODFAGGKRBR-QMMMGPOBSA-N 260.200 3.565 30 20 CHED N#C[C@H](C(=O)c1ccc2ccccc2c1)c1ccccn1 46439722 FHODIJJTUCYFNN-INIZCTEOSA-N 272.307 3.725 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)s2)c(F)c1 225241501 KKUXIWYDPMWESH-UHFFFAOYSA-N 267.712 3.991 30 20 CHED CN(CC(C)(C)C)c1ccc(C#N)c(Br)c1 228184282 XDQBJVAZVZRVRI-UHFFFAOYSA-N 281.197 3.803 30 20 CHED CC(C)[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1(C)C 412371775 YVYUKBSDLQADQC-BBWFWOEESA-N 296.414 3.555 30 20 CHED CCC(CC)(CC)C(=O)N(C)Cc1cccc(C#N)c1 610753444 LZEWDYPDIHSNSS-UHFFFAOYSA-N 272.392 3.733 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1Cl 380463216 PPFDSPXSLOAPGC-UHFFFAOYSA-N 296.754 3.580 30 20 CHED N#CC1(CSCc2ccn(CCc3ccccc3)n2)CC1 419596206 QERPYAUKLAVBGB-UHFFFAOYSA-N 297.427 3.663 30 20 CHED N#Cc1c(CNc2c(F)cccc2F)cn2ccccc12 193408909 KYWRXEMKAFDHLA-UHFFFAOYSA-N 283.281 3.701 30 20 CHED CC[C@H](/C(O)=N/c1ncn[nH]1)c1cccc(C(F)(F)F)c1 84384238 MUAJQDBSCMZOKQ-JTQLQIEISA-N 298.268 3.605 30 20 CHED CC(C)(CCC#N)CN1CCCN(c2ccccc2)CC1 130795660 HYJRIJYINGHBPY-UHFFFAOYSA-N 285.435 3.529 30 20 CHED N#CCCCCN[C@@H]1CCc2ccc(Br)cc21 193981179 BEYVVYHUQTXJGI-CQSZACIVSA-N 293.208 3.720 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1CC#N 410969942 QFTUFJLMQNWINU-SNVBAGLBSA-N 264.756 3.637 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 84182267 OGUHSNAZQMTFGR-HNNXBMFYSA-N 296.395 3.906 30 20 CHED C[C@H]1CCC[C@@H]1Nc1ccc(C#N)c(Br)c1 228187106 HJPQFCGPVZZZIU-ZANVPECISA-N 279.181 3.921 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(F)c2)c(F)c1 229910044 QKPGIKRCANTHMY-YVMONPNESA-N 274.266 3.870 30 20 CHED N#Cc1ccc(NCc2ccccc2O)cc1C(F)(F)F 88191306 QICKNOYVOREWKU-UHFFFAOYSA-N 292.260 3.895 30 20 CHED C=CCC[C@H](C(=O)N1CCC(=C)CC1)c1ccccc1 427096490 HZDHKOLMIAHYEV-KRWDZBQOSA-N 269.388 3.915 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccccc2OC(C)C)n1 195690031 AWJYQSZUBQEKSV-UHFFFAOYSA-N 295.386 3.969 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1F)c1ccc(C#N)cc1 194655074 NDWAXLMTWBBYNQ-LLVKDONJSA-N 266.275 3.709 30 20 CHED C=CCC[C@H](NC(=O)[C@H](C)SC)c1ccccc1 133981738 ZXTBSVONWIBPQU-JSGCOSHPSA-N 263.406 3.562 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OC)cc1C 130088837 IZYUQPICSVBHPA-UHFFFAOYSA-N 259.349 3.711 30 20 CHED OC(C[C@@H]1CCOC1)=Nc1nc2cc(F)c(F)cc2s1 329854003 SJLOYQPIZZVAKS-ZETCQYMHSA-N 298.314 3.589 30 20 CHED C[C@H]1CCCC[C@H]1CNc1c(C#N)nnc2ccccc12 85920324 OBFBZEPWVGAOQI-STQMWFEESA-N 280.375 3.740 30 20 CHED COc1c(C)ccc(N[C@@H]2CCC[C@@H](C#N)C2)c1C 193073124 ZDNIOIPHISFRKY-ZIAGYGMSSA-N 258.365 3.806 30 20 CHED CC[C@@H](CC#N)N[C@H](C)c1ccc(Br)cc1 49525848 OAEBAXFGVIVVQU-MFKMUULPSA-N 281.197 3.792 30 20 CHED C=C[C@H](CC(=O)N(CC#N)c1ccccc1)c1ccccc1 89622070 IVPWBAJWLCGGKC-MRXNPFEDSA-N 290.366 3.903 30 20 CHED N#CC1(F)CCN(CCSc2ccc(Cl)cc2)CC1 510919919 JSJMQCKBYJGLOI-UHFFFAOYSA-N 298.814 3.760 30 20 CHED C[C@@H](NC[C@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 192930254 ALDOQSNPYACBOX-DNVCBOLYSA-N 293.414 3.512 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1oc2ccccc2c1C 44239317 KUQXHJGXUMJYJS-GFCCVEGCSA-N 288.416 3.842 30 20 CHED C[C@@H](CCc1ccsc1)NCc1ccc(C#N)s1 421351046 NJEINGYKOXWPHV-NSHDSACASA-N 276.430 3.792 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 429063442 XFSQQJHSYFAXII-LRDDRELGSA-N 295.810 3.826 30 20 CHED C[C@H](NCCC#N)c1cccc(NC(=O)c2ccccc2)c1 338400110 QVCXFWBNFQOVMS-AWEZNQCLSA-N 293.370 3.503 30 20 CHED CCC1CCC(C/N=C(/O)c2nc(C)oc2C)CC1 331193157 RTYSCRKKFVKPKK-UHFFFAOYSA-N 264.369 3.812 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(C(=O)C3(C#N)CC(C)C3)C2)cc1 518048552 WGHCYURODYHQBE-VOLNDZDFSA-N 296.414 3.639 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc2c(cc1Cl)OCO2 424552797 BPLRCRBUGFUTKH-UHFFFAOYSA-N 281.739 3.610 30 20 CHED C#CCCCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 192125260 UBTZNLVYMXPQAQ-HNNXBMFYSA-N 269.388 3.617 30 20 CHED C[C@@H]1CC[C@H](CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 425512833 DZSYDKXWORISFE-FMKPAKJESA-N 299.418 3.697 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cccc2cnccc12 338338332 KPPKLIWGEKJQBZ-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCc3ncoc3C)c2c1 92692265 LCTJDXZMBLYFHY-UHFFFAOYSA-N 292.342 3.632 30 20 CHED C=CC1CCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 334814792 DNXCMUZTRDFRPO-AEFFLSMTSA-N 269.388 3.605 30 20 CHED C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1CCC#N 434908357 ZWSPHOWBOBIGCT-SECBINFHSA-N 269.175 3.826 30 20 CHED CCC(CC)(CC)NC(=O)Nc1ccc(F)cc1C#N 435162086 XNXSEPWYAKCECM-UHFFFAOYSA-N 277.343 3.788 30 20 CHED CC(=O)c1ccc(Oc2c(C#N)cccc2C#N)c(C)c1 436399282 DGUONVYMGVXOFY-UHFFFAOYSA-N 276.295 3.733 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(C#N)c1C 431693078 BVYCLLFLKLXQSC-DOMZBBRYSA-N 271.364 3.567 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(OCC(C)C)cc1 339993628 WWHGPQBRCNWKCE-UHFFFAOYSA-N 273.376 3.536 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)ccn1 342378116 XYODAQAIDYKHEC-GFCCVEGCSA-N 299.399 3.634 30 20 CHED C=CCOc1cccc(CN2CCC[C@H]2c2ccncc2)c1 348933128 HTYFGPIGIIWUQF-IBGZPJMESA-N 294.398 3.984 30 20 CHED CCN(C(=O)[C@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 347035113 KFNWSKOVKZPSON-MNOVXSKESA-N 298.308 3.775 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(F)cc(F)c1 432637404 FALRXGLAERLHGL-UHFFFAOYSA-N 268.307 3.689 30 20 CHED C[C@H](CC#N)NCCOC(c1ccccc1)c1ccccc1 602866430 ZZTUMCRCFRDWJS-MRXNPFEDSA-N 294.398 3.684 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@@H]1CCOc2c(F)cccc21 437075758 MFDRDXDZRCFJKB-TYNCELHUSA-N 263.356 3.840 30 20 CHED C[C@@H](C#N)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 346851173 VILLOKNGBNQKAB-JTQLQIEISA-N 292.766 3.617 30 20 CHED Cc1nc(CSCc2cccc(C#N)c2F)cs1 340854642 KTZDUXMXCQKHHF-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cccc3[nH]ccc23)no1 346024631 LRVYIURSZUMFSD-ZFWWWQNUSA-N 295.342 3.667 30 20 CHED CC[C@@H](CSc1ccccc1)NCc1cccc(C#N)n1 602569578 BBIMDEWVIDCMAL-AWEZNQCLSA-N 297.427 3.614 30 20 CHED CC(C)(C)Oc1cccc(CNc2cccc(F)c2C#N)n1 348127607 VSDLPJRSSHVOFC-UHFFFAOYSA-N 299.349 3.882 30 20 CHED CC#CCCCC(=O)N(Cc1cscn1)c1ccccc1 341472716 DEHAVWMWINGZLC-UHFFFAOYSA-N 298.411 3.870 30 20 CHED N#Cc1c(NCc2ccsc2)nc2cc(Cl)ccn12 341556640 AIWGOPLETGOQGX-UHFFFAOYSA-N 288.763 3.533 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccccc1OC 601687564 MDRWAASULHTRNB-UHFFFAOYSA-N 287.403 3.904 30 20 CHED CC(C)COc1cccc(CNC[C@@H](C)CCC#N)c1 602521191 KPVXFLOFDGOKHY-HNNXBMFYSA-N 274.408 3.751 30 20 CHED C=CC[C@@H]1N(C(=O)CC[C@H]2CC[C@H](C)O2)CCCC1(C)C 347496404 YARAOSJASUHAGF-XHSDSOJGSA-N 293.451 3.927 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@@H](C#N)CC(C)C)cc1 609989012 VEGWWTWRWKOJTF-WMLDXEAASA-N 286.419 3.797 30 20 CHED C[C@H](N[C@@H](C)c1nc2c(s1)CCC2)c1cccc(C#N)c1 345306986 RKDHAGUMEGOZHE-RYUDHWBXSA-N 297.427 3.915 30 20 CHED C=CCCC(=O)NC1CC(c2ccccc2Cl)C1 341252225 YSXCQWPPKGWFFE-UHFFFAOYSA-N 263.768 3.668 30 20 CHED CC1(C)CCC(C(=O)NCC(C)(C)CCC#N)CC1 345876940 BJAFOSQYDWFPMN-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C)CCC[C@H]2C)cc1 607554687 OZAXDIIANGEHRW-HUUCEWRRSA-N 287.403 3.902 30 20 CHED CC(C)C(=O)Nc1cccc(NC[C@H](C)CCC#N)c1 602485525 UTOBGIMKIOPSGQ-CYBMUJFWSA-N 273.380 3.633 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc(Br)cc1 299712773 QSVUDTJPTKMRNN-WDEREUQCSA-N 281.197 3.792 30 20 CHED C[C@@H](CCC#N)CNC[C@H]1CCCc2ccccc21 602512877 VWASCCZVWUEFNN-GOEBONIOSA-N 256.393 3.636 30 20 CHED COc1ccc(C(=O)/C=C\c2cnc3c(C)cccn23)cc1 255881696 LUGMSGGRDHLEDW-YFHOEESVSA-N 292.338 3.547 30 20 CHED CC1(C#N)CCC(N[C@@H]2COc3cccc(Cl)c32)CC1 449331272 XXFDWTMNGWIZHR-RYCVTPFZSA-N 290.794 3.836 30 20 CHED CCc1ccc(CN(C)CCOc2cccc(C#N)c2)cc1 603840030 RFQJYAWARIRTOJ-UHFFFAOYSA-N 294.398 3.631 30 20 CHED CO[C@]1(C)C[C@H](N(C)CCCCC(C)(C)C#N)C1(C)C 444640529 NPWIZTRANZPIHV-WMLDXEAASA-N 280.456 3.842 30 20 CHED Cc1c(C#N)cccc1NCc1cnc(C(F)(F)F)s1 446815208 RNMHLCVMKHCBFF-UHFFFAOYSA-N 297.305 3.954 30 20 CHED N#Cc1ccc(Cl)cc1NCCc1c[nH]c2ncccc12 443887999 ILAYPKAFEWHVRQ-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(Cn2cncn2)cc1 449049394 YXNNAYXRQDUHFV-HNNXBMFYSA-N 284.407 3.873 30 20 CHED C=CCCc1nc(-c2oc3ccccc3c2C)no1 445487250 AGARAHBFEORJGC-UHFFFAOYSA-N 254.289 3.910 30 20 CHED COc1ccccc1Oc1ccc(NC(=O)[C@@H](C)C#N)cc1 357845705 ZLXYINAQRYARNM-LBPRGKRZSA-N 296.326 3.586 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)C1CCSCC1 618804542 BANLOBSTAVWVST-PXAZEXFGSA-N 286.444 3.667 30 20 CHED C=CCC[C@@H](NCc1cccnc1OCC)c1ccco1 356069121 PXGFCHGPCRSVMB-OAHLLOKOSA-N 286.375 3.870 30 20 CHED Cc1c(Cl)ccc2c1N(CC1(C#N)CC1)CCC2 537249767 XHTDDLDWZBPISL-UHFFFAOYSA-N 260.768 3.705 30 20 CHED C=CCCNc1ccc(Cl)c(C(=O)OCC)c1 610132199 YONLZFHBGCAHPM-UHFFFAOYSA-N 253.729 3.505 30 20 CHED CC1(C)Cc2cccc(N[C@H]3CCC[C@@H](C#N)C3)c2O1 618577402 GAWUDULXTCYDKV-OCCSQVGLSA-N 270.376 3.894 30 20 CHED C=CC[C@H](C)N[C@@H](c1ccc2nc(O)oc2c1)C(C)C 359317928 UIFWQBLGIHXZRO-XHDPSFHLSA-N 274.364 3.785 30 20 CHED C=CC[C@@H]1CCCN(C(=O)COC/C=C\c2ccccc2)C1 617782318 CECZANBXAMLOGP-RYKGSNAESA-N 299.414 3.531 30 20 CHED C=CCCNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 617616494 ZKYLQSYYMZUOER-LNLFQRSKSA-N 283.415 3.728 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 355643513 MVNOHAHAPAIWIB-CQSZACIVSA-N 297.402 3.897 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C#N)CC(C)C 614419218 FYNPDOCGHBGHBX-ZDUSSCGKSA-N 288.416 3.633 30 20 CHED CC[C@H](Cc1ccc(C)cc1)NCc1cccc(C#N)c1 531685022 KFJIHSRDSSKOMJ-LJQANCHMSA-N 278.399 3.978 30 20 CHED N#Cc1ccc(N2C[C@H](c3ccccc3)c3ccccc32)nn1 618173702 VCNZWFDNAXUUMA-QGZVFWFLSA-N 298.349 3.632 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCCCSCc1ccccc1 451679950 IKGVAGPTLQOKBG-SJORKVTESA-N 291.460 3.633 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@](C)(C#N)C1 612165181 LACGUTIKZBJHNN-CJNGLKHVSA-N 287.363 3.590 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccc(C#N)c1 452528733 NYYMDCVPLXBHHX-FRFSOERESA-N 284.403 3.604 30 20 CHED CC(C)CN(C(=O)CCC(F)(F)F)c1ccc(C#N)cc1 361669673 KSWYICUSPFMJJF-UHFFFAOYSA-N 298.308 3.890 30 20 CHED C=CCC1(NC(=O)c2cnc(C3CC3)s2)CCCC1 619103801 CZHFXQMFVILPED-UHFFFAOYSA-N 276.405 3.639 30 20 CHED C=CCC[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1ccccc1 458581160 QYBWZXXDOZDBGH-MRXNPFEDSA-N 299.418 3.885 30 20 CHED CC[C@@H](C)CCCCC(=O)Nc1cc(CC#N)ccn1 612051686 GUJGLKZZIOVNCJ-CYBMUJFWSA-N 273.380 3.693 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1cccc(C#N)c1 532069834 GPDPLKRNHVVJIS-IRXDYDNUSA-N 284.403 3.528 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(/C=C\C)cc1 455452774 WJHZOTJWVWMGTA-UTCJRWHESA-N 269.348 3.653 30 20 CHED Cc1ccc2c(c1)CN(Cc1cc(F)ccc1C#N)C2 361602356 MRUMGMQOZVVRJU-UHFFFAOYSA-N 266.319 3.522 30 20 CHED C=CCC1(NC(=O)[C@@H](C)C(F)(F)F)CCCCC1 456366385 MOGNSCSFEHDRCG-SNVBAGLBSA-N 263.303 3.580 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)OC(C)(C)C2)CCCC1 451033072 WVTIUUQGAFVXBV-UHFFFAOYSA-N 279.424 3.539 30 20 CHED CCc1ccc(-c2ccc(C(=O)N[C@](C)(C#N)CC)o2)cc1 610291466 KUSFYLYUPLDJRD-SFHVURJKSA-N 296.370 3.931 30 20 CHED N#Cc1cccc(CNC2(c3ccccc3)CCC2)c1F 540345993 DKVXZYQQTSDQKO-UHFFFAOYSA-N 280.346 3.866 30 20 CHED C=CC[C@H]1N(C(=O)Nc2c(C)noc2C)CCCC1(C)C 277756326 QVMBJLQFFCIWLC-CYBMUJFWSA-N 291.395 3.890 30 20 CHED CC(C)Cn1ccc2c(C(=O)N(C)[C@H](C)CC#N)cccc21 278027030 QQJGRFQHROKHJI-CQSZACIVSA-N 297.402 3.671 30 20 CHED Cc1ccc(SC[C@@H](C)NC(=O)CC(C)(C)C#N)cc1 278882645 WLNVXBNPQVTXKF-CYBMUJFWSA-N 290.432 3.532 30 20 CHED Cc1cnc(N[C@H](CCC#N)c2ccccc2)nc1C 270702389 IJVUYLZGDOXTMC-OAHLLOKOSA-N 266.348 3.550 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cccc(OC(F)F)c1 450665741 GRHBDMZLMRNGBD-LLVKDONJSA-N 280.318 3.632 30 20 CHED CSCc1ccc(NC(=O)NCC(C)(C)CC#N)cc1 459365198 BIBDYDJNMJKATP-UHFFFAOYSA-N 291.420 3.611 30 20 CHED C#CCC(C)(C)C(=O)OCc1cnc(C(C)(C)C)s1 278407286 OQJYCRFRGMZCHV-UHFFFAOYSA-N 279.405 3.533 30 20 CHED C=C(C)CCNC(=O)Cc1coc2cc3c(cc12)CCC3 456123728 RESIVKRXSIDXOJ-UHFFFAOYSA-N 283.371 3.546 30 20 CHED C=C(C)CCNC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 459005738 QSEGTIWXCZLGLY-QZTJIDSGSA-N 296.414 3.983 30 20 CHED C=CCC1(C(=O)Nc2ccc(CCO)cc2)CCCCC1 450135351 SNZXWRFMLLXMJR-UHFFFAOYSA-N 287.403 3.687 30 20 CHED C=CCN(CCOC)C(=O)Nc1ccc(C2CC2)c(C)c1 362093337 CSZSQZAGRINRQI-UHFFFAOYSA-N 288.391 3.539 30 20 CHED N#CC1(CN2CCC(Cc3cc(F)cc(F)c3)CC2)CC1 451939519 ZVBAFJGVEKNDSH-UHFFFAOYSA-N 290.357 3.523 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](C(C)C)C2)c1 455953099 JSXIEDBUQJSPRF-OAHLLOKOSA-N 285.391 3.767 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1c(F)cccc1Cl 455368422 OOROKSTWSGJMCP-UHFFFAOYSA-N 298.789 3.833 30 20 CHED N#CCN(CC1CCC(F)(F)CC1)C1CCCC1 459351807 ZOULCEWRLRXFHH-UHFFFAOYSA-N 256.340 3.580 30 20 CHED C=CCCCc1nc(Cc2cccc(Cl)c2F)no1 544903943 FNXQNBCZLLGSEX-UHFFFAOYSA-N 280.730 3.962 30 20 CHED N#C[C@@H](NC(=O)C12CCC(CC1)C2)c1ccc(Cl)cc1 543128995 HLZBHQQTLAJRKS-OFWKBQFLSA-N 288.778 3.601 30 20 CHED N#CCN(Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 271129413 JIUQFZQRCOLICX-UHFFFAOYSA-N 288.700 3.847 30 20 CHED CC[C@H](CN(CC)C(=O)NCCCC#N)c1ccccc1 275053082 LYAXALUYNTYNMZ-OAHLLOKOSA-N 287.407 3.515 30 20 CHED COc1ccc(F)cc1CN[C@@H](CCC#N)c1ccccc1 271785436 LQBLRUXIWJWLFB-KRWDZBQOSA-N 298.361 3.969 30 20 CHED C[C@H](c1noc(COc2ccccc2C#N)n1)C(C)(C)C 547126379 YDUSDUHMJSQAOO-LLVKDONJSA-N 285.347 3.670 30 20 CHED CC1CC(NC2CCC(Oc3ccccc3C#N)CC2)C1 467738961 ARQZRSBAZFPWGC-UHFFFAOYSA-N 284.403 3.636 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(Cc3cccc(F)c3)CC2)C1 278580643 KDLPHDJWJGQKPV-SJLPKXTDSA-N 286.394 3.772 30 20 CHED CC[C@H](CC#N)NCc1cc(-c2ccccc2)ccc1O 273886461 SHKSJWPMBIECQC-QGZVFWFLSA-N 280.371 3.841 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2C2CCC2)cc1 280286389 NTRISORUZWZGDZ-KRWDZBQOSA-N 296.414 3.892 30 20 CHED CCOc1ccccc1NC(=O)[C@H](C)c1cccc(C#N)c1 463073354 YTPGXOWQMVKVTI-CYBMUJFWSA-N 294.354 3.699 30 20 CHED CC(C)c1occc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 280008329 NKYGWAGIJHIWDG-LBPRGKRZSA-N 282.343 3.766 30 20 CHED Cc1cc(C)cc(CCN[C@H]2CCc3ccc(C#N)cc32)c1 554983243 YIUOEFUYNRESOX-FQEVSTJZSA-N 290.410 3.995 30 20 CHED N#Cc1cccc(CN2CC[C@@H](c3cccc(F)c3)C2)c1F 557431842 AONXBXFYSSJDSB-OAHLLOKOSA-N 298.336 3.826 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)c1ccccc1F 281542609 ZLGGXZSCUCXZHU-QWHCGFSZSA-N 278.371 3.883 30 20 CHED CCCCCCCCC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3OC 804383244 RNZJVJMGGDTUSB-DTJSUFBGSA-N 293.451 3.619 30 20 CHED Cc1cccc(C)c1CC(=O)N[C@@](C)(C#N)C1CCCCC1 558102632 KNBKOKCYKCPMQU-IBGZPJMESA-N 298.430 3.825 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(OC(F)F)cc2F)C1 802657263 AINDSHINXMKDAW-RKDXNWHRSA-N 270.254 3.531 30 20 CHED C#C[C@H](Nc1ccc(C#N)cn1)c1ccc(Cl)cc1F 804807294 DRRQFNUAYMSHHQ-AWEZNQCLSA-N 285.709 3.532 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)CN(C)Cc1ccccc1 564148053 LNLVUHGVSYEDFJ-GVDBMIGSSA-N 274.452 3.697 30 20 CHED CC(C)Oc1ccc(/C=C\c2ccncc2C#N)cc1 470283929 OXMPKSVJPCWLFA-UTCJRWHESA-N 264.328 3.911 30 20 CHED CCCCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[C@@H](C)C1 294105364 JQUPMVBSBMKXRS-CZUORRHYSA-N 287.407 3.707 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 292267808 LIIBWZUSLJIBDB-ZBEGNZNMSA-N 284.384 3.734 30 20 CHED C=C[C@H](CC(=O)OCC(=O)CC(C)(C)C)c1ccccc1 805518889 CPXUMNPHGMFIMU-CQSZACIVSA-N 288.387 3.895 30 20 CHED C#C[C@@H](NCc1c(C)nn(CCCC)c1Cl)C(C)(C)C 809781007 DZPFESGVOJSCRG-CQSZACIVSA-N 295.858 3.783 30 20 CHED CCCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297697607 HRTGSIFBAKRYDV-UHFFFAOYSA-N 250.367 3.656 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 473572152 WRSQUMATZBVPBE-BFYDXBDKSA-N 281.440 3.546 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H]1C[C@H]1C(F)(F)F 640118988 DHKJRKUWLQMPQV-DGCLKSJQSA-N 298.308 3.878 30 20 CHED N#Cc1cc(N[C@H](c2ccc(Cl)cc2)C2CCC2)ncn1 562421413 LDQHQMPIAFBTGL-INIZCTEOSA-N 298.777 3.955 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1c2ccc(F)cc2O[C@H]1C 569154537 KGGZUGQIUQBEBK-MEDUHNTESA-N 289.350 3.532 30 20 CHED C[C@@H]1CC(=NNc2c(F)cccc2Cl)CC[C@@H]1C(=O)O 814904867 CBAFLEFCNFUMGE-SCZZXKLOSA-N 298.745 3.768 30 20 CHED CC(C)(C)c1cnc(C=NNCC2CCCC2)s1 814932785 SCUCYSLOQJLMDH-UHFFFAOYSA-N 265.426 3.554 30 20 CHED Cn1cc(CN2C[C@@H](c3ccccc3)C(C)(C)C2)cc1C#N 483248348 FCLZWDHNTGMRKR-SFHVURJKSA-N 293.414 3.522 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1ccc(C#N)c(C)n1 487774970 YZDANTOZRNQMBG-KAMYIIQDSA-N 277.371 3.801 30 20 CHED Cc1ccc(NN=Cc2ncc(Cl)s2)cc1 814684979 AFHFNTZXJQPLDV-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C1CCC([C@@H]2CCCCC2=NNC2CCOCC2)CC1 814869137 CSVMQMUCFHRDRJ-INIZCTEOSA-N 278.440 3.882 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](C)CCCC(C)C 810017852 LVPUBOWXDVCCSG-OAHLLOKOSA-N 271.404 3.541 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2nc3c(cc2C#N)CCCC3)CC1 576587807 NYZREPFTGDCMRZ-JOCQHMNTSA-N 297.402 3.597 30 20 CHED Fc1ccc(C=NOCC2CC2)cc1C(F)(F)F 814244373 PYQNKDMZCQXPKJ-UHFFFAOYSA-N 261.218 3.605 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@H](F)C2)CCCCC1 578772204 PZXLXJJCXYHHIE-KBPBESRZSA-N 267.388 3.910 30 20 CHED CC[C@H](C(=O)N[C@@]1(C#N)CC1(C)C)C1CCC(C)CC1 484914977 ZMXIJNNLOMDVMT-TXBNBULBSA-N 276.424 3.647 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 571440556 HELHJFKVICWQGD-KBXCAEBGSA-N 298.430 3.628 30 20 CHED CC(C)c1cnc(C=NNCCCc2ccccc2)s1 814837978 UBRUREVWFQAHFL-UHFFFAOYSA-N 287.432 3.823 30 20 CHED CO[C@](C)(C=NN[C@@H](Cc1ccccc1)C(C)C)C1CC1 814906658 CXIJSKDMPZTAPV-ZWKOTPCHSA-N 288.435 3.644 30 20 CHED C=CCCN[C@@H](C)c1sc(-c2cccnc2)nc1C 658116952 PCYWVKZBVRHPTQ-NSHDSACASA-N 273.405 3.740 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)c(F)c1 811686032 LGMPDTTZGHKSJS-YVMONPNESA-N 299.276 3.741 30 20 CHED CCC(=NOC/C=C\Cl)c1ccc(OC)c(OC)c1 811669581 GMYPBPOOJOZHED-XVCAITEPSA-N 283.755 3.587 30 20 CHED CC(=NNc1cc(Cl)nc(Cl)c1)C(F)(F)F 819828664 LWZOSEJEXVMOFF-UHFFFAOYSA-N 272.057 3.739 30 20 CHED C=CCCC(=O)Nc1ccc(N(CC)C(C)C)cc1 726496720 HOSMLHZKYJMKTC-UHFFFAOYSA-N 260.381 3.826 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cn2)c2cccc(Cl)c21 575978764 IFASLVXHFXYWIZ-UHFFFAOYSA-N 297.789 3.904 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(F)c(C)c2)c1 728447998 YWTHHRQEUNTDBL-UHFFFAOYSA-N 284.359 3.924 30 20 CHED Cc1ccc(NN=C2CCCC[C@H]2c2ccccc2)nn1 729935804 QSWAFAADLOESFC-HNNXBMFYSA-N 280.375 3.911 30 20 CHED CC#CCCNC(=O)Nc1ccc(C)c(C(F)(F)F)c1 497664533 ZAGDTZCDOBCVMV-UHFFFAOYSA-N 284.281 3.549 30 20 CHED C#CCCCCC(=O)OCc1cc2nc(Cl)ccc2o1 821119512 XYWCRHMNFPDTEJ-UHFFFAOYSA-N 291.734 3.718 30 20 CHED CC(C)CN(C(=O)[C@@H]1CC=CCC1)c1ccc(C#N)cc1 499320617 SYKGAWJXMSZUDA-MRXNPFEDSA-N 282.387 3.904 30 20 CHED C=C(CNC(=O)N(CC)[C@H](C)CC)c1ccccc1 664899429 VJGIGHHCAZGTML-CQSZACIVSA-N 260.381 3.530 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(Cl)cncc1Cl 497944990 SAPMGTLSWBRAGH-VIFPVBQESA-N 287.190 3.863 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)CC[C@@H]1C 581362594 XHQWXOACYIRTDG-GJZGRUSLSA-N 296.418 3.756 30 20 CHED C[C@@H]1CCN(CC#Cc2ccccc2Cl)CC1(F)F 494222934 JHPHOXZWPXXKQL-GFCCVEGCSA-N 283.749 3.669 30 20 CHED CC(C)OC(=O)c1ccccc1-c1ccccc1C#N 490699943 ZLDBMUGURWNWTC-UHFFFAOYSA-N 265.312 3.790 30 20 CHED CCc1noc(CSCCCCC2(C#N)CCC2)n1 901757880 OEJURJFGAMMJMU-UHFFFAOYSA-N 279.409 3.729 30 20 CHED CC(C)(Oc1ccc(C#N)cc1)c1nc(-c2ccco2)no1 904760933 RVWVTEVVPIEPKY-UHFFFAOYSA-N 295.298 3.515 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C3CC3)ccn2)C1 823471029 JUNYXBRGPVXOFO-CYBMUJFWSA-N 285.391 3.779 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc2oc(C)c(C)c2c1)C(C)C 821566056 QEIPPKQDLYPOMA-OAHLLOKOSA-N 284.359 3.829 30 20 CHED C#C[C@H](OC(=O)c1sc(C)cc1OC)c1ccccc1 821612920 ODYYZBLXTRNXAN-ZDUSSCGKSA-N 286.352 3.596 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCc3c(Cl)cccc32)C1 584464128 XCAPWVCJQGQSAB-FIXISWKDSA-N 260.768 3.609 30 20 CHED CC(C)(C)CC(=O)OCCCCC1(C#N)CCC1 908701919 DMCOWLQWIYSTIX-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C=CCCC(=O)Nc1cccnc1Oc1ccccc1 588025943 MFXRYVJMXBHVCM-UHFFFAOYSA-N 268.316 3.779 30 20 CHED C=CCCNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 660574209 LSALRMVIXGCRHY-OAHLLOKOSA-N 276.355 3.542 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1cccc(CC#N)c1 736032872 INEWTIXCTBTPAM-DVOMOZLQSA-N 271.360 3.734 30 20 CHED C=CCCNC(=O)Nc1cnn(-c2ccccc2)c1C(C)C 666883861 TUZBDBANUHSPPA-UHFFFAOYSA-N 298.390 3.693 30 20 CHED CCNc1ccccc1CNCC(C)(C)CCC#N 902561746 SUSYABVHEIFEKM-UHFFFAOYSA-N 259.397 3.538 30 20 CHED C#C[C@H](C)N(C)C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 491670988 PSWYTPOKQFOJOI-IXDOHACOSA-N 293.451 3.622 30 20 CHED C#CCCOc1ccc(CNCC(=C)c2ccccc2)cc1 733326057 GMPCKRJYZGGASG-UHFFFAOYSA-N 291.394 3.892 30 20 CHED C#CCCCCCC(=O)NC[C@@H](CC)CC(F)(F)F 839843570 ZAGFXXJZGKEQFT-LBPRGKRZSA-N 277.330 3.665 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F 733976408 BJCHBFVQDXTVAJ-UHFFFAOYSA-N 299.320 3.773 30 20 CHED C/C=C/C=C\C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 731198401 KOHVXYLKLQALFQ-SUBCZSQOSA-N 282.387 3.797 30 20 CHED C=CC(C)(C)COC(=O)[C@@H](C)c1cccc(OC)c1 835725807 GYIVCIQTCJJSHS-LBPRGKRZSA-N 262.349 3.554 30 20 CHED CCc1c(C(C)=NNc2cccnn2)oc2ccc(C)cc12 735974778 OBKSFOOFUXODAP-UHFFFAOYSA-N 294.358 3.930 30 20 CHED N#Cc1cc(F)cc(OCc2cc(-c3ccccc3)no2)c1 583166208 IDORNPDGPMCSGC-UHFFFAOYSA-N 294.285 3.931 30 20 CHED CC1(C)Cc2cccc(C=NNCc3ccccc3)c2O1 737423585 URGIMOJOLBWVOE-UHFFFAOYSA-N 280.371 3.524 30 20 CHED CC[C@@H](NCC[C@@H]1CCCCO1)c1cccc(C#N)c1 902944298 FFLWIGKKISWVTR-DLBZAZTESA-N 272.392 3.558 30 20 CHED N#CCCOCCN1CC2(CCCC2)[C@H]1c1ccccc1 839125831 KTCHCLZVRJXAFJ-QGZVFWFLSA-N 284.403 3.534 30 20 CHED N#CC1(CCCCSC[C@H]2CC3(CC3)C(=O)O2)CCC1 901788850 ZGSNQGLWBGEINN-CYBMUJFWSA-N 293.432 3.679 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1cccc(F)c1F 588618491 VVHUNHXGIDXCOT-HJWRWDBZSA-N 269.250 3.733 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(C)c1cccc(C#N)c1 584391037 ORDBZBYPMUGUSJ-HOCLYGCPSA-N 270.376 3.737 30 20 CHED Cn1ncc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)c1Cl 834434339 HDGUSTJLDCJQKN-UGMNDJHYSA-N 298.773 3.773 30 20 CHED C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C#CC1CC1 837431099 MBWKHGXNWDGKIM-OAHLLOKOSA-N 281.399 3.790 30 20 CHED CSc1ccccc1N(C)C(=O)CCCCCC#N 588939345 HBFNFBAYPGPBME-UHFFFAOYSA-N 276.405 3.845 30 20 CHED C[C@@]1(CC(=O)OCc2ccc(C#N)cc2)CC1(Cl)Cl 835144917 IYWITAVGAOZDBW-CYBMUJFWSA-N 298.169 3.575 30 20 CHED CCOc1cc(C=NNc2cccc(C)c2)ccc1OC 916255295 PXLAMFAUUVOMEV-UHFFFAOYSA-N 284.359 3.848 30 20 CHED C#CC1CCN(C(=O)Nc2cc(C)c(C)cc2Cl)CC1 831843829 FIQXLNOLTNHLMS-UHFFFAOYSA-N 290.794 3.834 30 20 CHED C=C(Cl)CNC(=O)N(CCC)CCc1cccc(F)c1 736399153 SNTOGRQNWBYVPQ-UHFFFAOYSA-N 298.789 3.542 30 20 CHED Cc1ccc(OCCCN2CCC[C@H](CC#N)C2)cc1C 595610971 FHBKNPTYGNOFEC-QGZVFWFLSA-N 286.419 3.698 30 20 CHED C=CCCCCCCCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2 836789377 KQBVWRCMFADACS-ARFHVFGLSA-N 279.424 3.587 30 20 CHED N#C[C@H]1CCC[C@H](NCc2cc(F)ccc2OC(F)F)C1 595094001 RUDWJGCMAJJPSO-GWCFXTLKSA-N 298.308 3.599 30 20 CHED CCc1ccc([C@@H](C)CC(=O)Nc2cccc(C#N)n2)cc1 592661627 HZKDYBGCOGLXCG-ZDUSSCGKSA-N 293.370 3.648 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OCCCCCCF 847713514 YQZSONBKCVIPLT-CQSZACIVSA-N 291.366 3.810 30 20 CHED CC#CCCCC(=O)Nc1c(F)cccc1NC(C)C 911927393 FDLAVZSANBQYJR-UHFFFAOYSA-N 276.355 3.778 30 20 CHED CCCN(C(=O)CCCC#N)c1cc(Cl)ccc1C#N 598810933 PABIFXYGOFRSNX-UHFFFAOYSA-N 289.766 3.649 30 20 CHED N#CCC1(CSCc2ccn(-c3ccccc3)n2)CC1 596340189 JNNRUEKRRHYCRZ-UHFFFAOYSA-N 283.400 3.799 30 20 CHED N#Cc1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1 592442938 YJYZOQRVFUSNHS-OAHLLOKOSA-N 279.339 3.641 30 20 CHED COC(=O)c1ccc(/C=C2\CCCC(C)(C)C2=O)cc1F 849245934 CSGMIMOXPCURPO-FMIVXFBMSA-N 290.334 3.775 30 20 CHED CN(CC(C)(C)C#N)C(=O)CC(C1CCC1)C1CCC1 599968636 MOGQWTDXONGSCH-UHFFFAOYSA-N 276.424 3.601 30 20 CHED N#CCCCCCC(=O)N1CC[C@H]1c1ccc(F)cc1 598099608 HOTXNFCNIYLLAC-HNNXBMFYSA-N 274.339 3.573 30 20 CHED CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)C1CC1 596834198 UTZYDBATFPESEK-QGZVFWFLSA-N 299.418 3.667 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1)C1CCCCC1 845199876 FNVXPKQGOUKLMU-RHSMWYFYSA-N 284.403 3.974 30 20 CHED CC1(C(=O)Nc2nc(Cl)c(C#N)s2)CCCCCC1 841223571 ALFICKFAPHQZIG-UHFFFAOYSA-N 297.811 3.967 30 20 CHED CCCC[C@@H](C(=O)NCCc1ccc(C#N)cc1)C(C)C 598744248 BVQQSEDGAFXZTR-QGZVFWFLSA-N 286.419 3.679 30 20 CHED CC(CCCCC#N)=NNc1cc(F)c(F)cc1F 841626905 UHZQBMJQXNZFDI-UHFFFAOYSA-N 269.270 3.976 30 20 CHED Cc1cc(CN2CCC([C@@H]3CCCCO3)CC2)ccc1C#N 595782239 IAAHBPKEJYQBRR-IBGZPJMESA-N 298.430 3.648 30 20 CHED Oc1ccccc1/C=N/Cc1ccc(Cl)s1 914558329 TUYBXHVPLCSBIA-VGOFMYFVSA-N 251.738 3.726 30 20 CHED Cc1ccccc1C[C@H](C)NC(=O)CC1(C#N)CCCCC1 596843752 IVYCDGNRLIKXLY-INIZCTEOSA-N 298.430 3.906 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(C(F)(F)F)ccc1C 844552195 VPBCDFOKZYXEHY-VIFPVBQESA-N 288.269 3.641 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(C)c(C(F)(F)F)c1 844495685 CDVZDCMSVWFDEY-SECBINFHSA-N 288.269 3.641 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1cccs1 841744197 FTBDRRXKRXRKRM-VBNZEHGJSA-N 282.412 3.902 30 20 CHED C[C@H](NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1cccc(C#N)c1 590673275 ZQGQEMDGUOQUSL-AYMQEEERSA-N 284.403 3.808 30 20 CHED C=C(C)[C@@H](N[C@@H](C)CCCCO)c1ccc(F)c(F)c1 681401450 UWZBJDZZEQVPNP-BLLLJJGKSA-N 283.362 3.723 30 20 CHED C=CCN(C(=O)c1cccc(F)c1Cl)C(C)C 742632976 FGOYRHODPIQOHL-UHFFFAOYSA-N 255.720 3.516 30 20 CHED N#Cc1ccc(-c2nc3ccccc3n2C2CCC2)o1 593001053 WZHDVMWFEHZUAU-UHFFFAOYSA-N 263.300 3.893 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CCO[C@@H](c2ccncc2)C1 846752871 JDLJRQRDQRWYFZ-SJLPKXTDSA-N 293.370 3.594 30 20 CHED C[C@H](C#N)CN(C)C(=O)/C=C\c1ccc(C(C)(C)C)cc1 743876721 BDEBXVBOANMKIX-KOTGUFOOSA-N 284.403 3.615 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)c(C)o1 743476202 GWPGOMSZAYCZPL-LBPRGKRZSA-N 254.333 3.619 30 20 CHED CCC(=NNc1cncc(Br)c1)[C@H]1C[C@H]1C 841632331 MPKMNDHQWAXNBN-KCJUWKMLSA-N 282.185 3.678 30 20 CHED CCO[C@@H]1CCCC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 590780322 JVDCKLCWWDMZFF-IPMKNSEASA-N 298.430 3.873 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H](C)C(C)(C)C 748922094 CSWLOCSKQNVUAA-GFCCVEGCSA-N 259.349 3.592 30 20 CHED C=CC[C@H](C(=O)NC[C@H](C)C1CC1)c1ccccc1 681653886 IPVZBNKXUFRELP-BBRMVZONSA-N 257.377 3.509 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCc2c(Cl)cccc21 684766290 QEOFTNFUQRTNSR-VUCTXSBTSA-N 291.822 3.898 30 20 CHED C/C(=C\C(=O)N(C)Cc1ccc(C#N)cc1)C(C)(C)C 742526544 BIDBCSISKDPNHO-JLHYYAGUSA-N 270.376 3.509 30 20 CHED Cc1cc(F)cc(C(=O)OCc2ccc(C#N)cc2C)c1 748935489 RVZXIPMUSJYTPP-UHFFFAOYSA-N 283.302 3.671 30 20 CHED CCC(=O)CCCON=C(c1ccccc1)C(F)(F)F 759614873 NDCBHDAWLGHJGG-UHFFFAOYSA-N 287.281 3.729 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1csc([N+](=O)[O-])c1)C2=O 921268357 APFPPWPVLZSGCK-XGICHPGQSA-N 285.324 3.787 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)CCN3C)s1 751524299 QQLILACCCMDTMP-FNORWQNLSA-N 283.396 3.945 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C1(c2ccccc2F)CC1 851210235 SOMXKRPAPWZVHJ-LBPRGKRZSA-N 289.350 3.729 30 20 CHED C#CC[C@@H](NC(=O)c1cc2occc2s1)c1ccccc1 757598714 QKFNXCQPJFIKRW-CYBMUJFWSA-N 295.363 3.989 30 20 CHED CC[C@H](N[C@H](C)CC(C)(C)C#N)c1nc(C)cs1 924971398 AEXLXXOETQOUCV-PWSUYJOCSA-N 265.426 3.821 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccccc1 925578940 IUTLGERSBRGZDR-CWRNSKLLSA-N 282.391 3.581 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(F)cc1 920376845 VIJQDVCFLZKEIY-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CC[C@@H]1CCCC1=NN=c1cc[nH]c2ccccc12 758370191 MMCOAFCZPARBRI-GFCCVEGCSA-N 253.349 3.635 30 20 CHED CCCCCCCOC(=O)Cc1csc(CC)n1 920116085 AHYQHNLMAABHMO-UHFFFAOYSA-N 269.410 3.762 30 20 CHED CC(CC1CCOCC1)=NNc1ccc2ccccc2n1 757560915 KLINJQJNPYJZKA-UHFFFAOYSA-N 283.375 3.839 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 754661717 RIMJKZUQYXRPPC-IRXDYDNUSA-N 283.415 3.879 30 20 CHED CC[C@@H](C)[C@H](C(=O)Nc1ncc(C#N)s1)c1ccccc1 759132619 ZMKVTCUWSYJNLB-RISCZKNCSA-N 299.399 3.783 30 20 CHED FC(F)CON=Cc1ccc(Br)c(Cl)c1 754974752 YARIRGSJELSHLH-UHFFFAOYSA-N 298.514 3.718 30 20 CHED C#CCCCC(=O)OCc1cc2ccccc2s1 759174437 XNPHYUQGVAQHMS-UHFFFAOYSA-N 258.342 3.748 30 20 CHED C[C@@H](c1ccccc1)N1CC[C@H](N[C@H](C)CC(C)(C)C#N)C1 924962385 DTJGQVRSQITJAC-RYRKJORJSA-N 299.462 3.740 30 20 CHED C/C(=C\C(=O)N(C)c1cccc(C#N)c1)c1ccc(F)cc1 921284431 YRQQMWSIILSGKF-JLHYYAGUSA-N 294.329 3.764 30 20 CHED C#CC[C@H](NC(=O)NCc1ccccc1C)c1ccccc1 757057832 LPTOVULYDUYENY-SFHVURJKSA-N 292.382 3.559 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(O)c(F)c1)C2=O 755594279 SBZVSIUFCZBDJG-GHXNOFRVSA-N 268.287 3.662 30 20 CHED C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1cccc(C#N)c1 756626319 NRILSFLNNIDFPB-VXGBXAGGSA-N 284.334 3.815 30 20 CHED CC1(C)CCC(=CC(=O)N2CCC[C@H](CC#N)C2)CC1 855254714 PYOLXDWPMBRHMC-OAHLLOKOSA-N 274.408 3.665 30 20 CHED C#CC[C@@H](NC(=O)/C=C/c1cccs1)c1ccccc1 757576816 FEIUJDXMDUAZSD-LPQFERQCSA-N 281.380 3.642 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](CC)c1ccc(Cl)s1 753265067 QFXVTSKYTDNBGT-NXEZZACHSA-N 284.812 3.564 30 20 CHED C#C[C@H](CC)NC(=O)N(C)Cc1c(Cl)cccc1Cl 753248702 SOHNDENFMOGTSG-SNVBAGLBSA-N 299.201 3.547 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc(F)c(Cl)c2)c1 755471994 LIATWSCUCLINPF-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=CCNC(=S)Nc1cccc(-c2cccs2)c1 751025838 FGNOVKSXZMIENT-UHFFFAOYSA-N 274.414 3.888 30 20 CHED C#CCCCNC(=O)[C@H](CCC)c1cccc(Cl)c1 859669705 ZKVHRBIYSAKGKL-OAHLLOKOSA-N 277.795 3.753 30 20 CHED C[C@](C#N)(NC(=O)c1cc(Cl)cs1)C1CCCCC1 758842461 JNPQXQPLKHKOQQ-CQSZACIVSA-N 296.823 3.994 30 20 CHED C=C[C@H](CC)CC(=O)NCCc1csc(C(C)C)n1 931562499 LJGACSFQZKMNRW-GFCCVEGCSA-N 280.437 3.528 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(-c2ccon2)c1 933787575 OHFWIFJDKBAVLB-CYBMUJFWSA-N 285.347 3.818 30 20 CHED Cc1ncsc1CN1CCC(c2ccc(C#N)cc2)CC1 933613093 VKHUAWXRRFFTFK-UHFFFAOYSA-N 297.427 3.703 30 20 CHED CC#CCCOC(=O)CCCCCc1cccs1 760288762 BXOPOWRJNGBSNG-UHFFFAOYSA-N 264.390 3.808 30 20 CHED N#Cc1ccc2[nH]cc(C=NNc3ccccc3F)c2c1 760239294 JJWNLAFZEVSOKG-UHFFFAOYSA-N 278.290 3.625 30 20 CHED C=CCN(C(=O)Nc1ccc(-c2ccon2)cc1)C1CC1 933726402 KORLVZIOUBSBJC-UHFFFAOYSA-N 283.331 3.524 30 20 CHED CCCCCCCNCCC(=O)Nc1ccccc1F 863560438 IMDJVYMBOWDGPY-UHFFFAOYSA-N 280.387 3.714 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 767090850 GIVIUMXAAGBGHF-MRXNPFEDSA-N 297.398 3.743 30 20 CHED CCCC[C@H](CC)C(=O)OCc1ccc(C#N)cc1 866482743 SCGNNNMXTXTLDI-HNNXBMFYSA-N 259.349 3.818 30 20 CHED C(=Nn1cnc2ccccc21)c1cnc(C2CCC2)s1 760238598 AOICLXSHFRCIOH-UHFFFAOYSA-N 282.372 3.643 30 20 CHED CCCCCCCC(=O)N1CCC(F)(F)C[C@H]1C 863011343 BXKLRVQTKHOKGP-GFCCVEGCSA-N 261.356 3.993 30 20 CHED C#Cc1cccc(NCc2cnc(-c3ccccc3)nc2)c1 766447526 WHITUCMNOCIRMU-UHFFFAOYSA-N 285.350 3.737 30 20 CHED C#CCCCCCC(=O)Nc1cc(O)c(C)cc1C 762688690 PVISQHOSHJZGGR-UHFFFAOYSA-N 259.349 3.531 30 20 CHED C=CC[C@H](OC(=O)[C@H](OCC)C1CC1)c1ccccc1 860678246 XBDVFOJOHIAYKD-JKSUJKDBSA-N 274.360 3.662 30 20 CHED COc1cc(Br)ccc1N[C@H]1CC[C@H](C#N)C1 866489747 BKEYHZSFBLOTBY-ONGXEEELSA-N 295.180 3.562 30 20 CHED O=C1CCCN1N=Cc1c2ccccc2cc2ccccc12 769594130 YBJKEQSQOXUMMR-UHFFFAOYSA-N 288.350 3.949 30 20 CHED CC#CCN(C)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1117773718 XLKKPJLYPOVEBU-UHFFFAOYSA-N 298.213 3.753 30 20 CHED FC(F)(F)c1ccccc1NN=CC[C@H]1CCOC1 765542156 HBQKXQUZLRIMPR-JTQLQIEISA-N 272.270 3.530 30 20 CHED C#CCCCCCC(=O)Nc1cc(C)c(O)c(C)c1C 774822299 DSJKLMCEFGRJMU-UHFFFAOYSA-N 273.376 3.840 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cn(C)nc2CC)cc1 770571669 VBRJAHSFWHLXJR-VAWYXSNFSA-N 282.387 3.831 30 20 CHED C=C(CC)COC(=O)c1ccc(C(F)(F)F)nc1Cl 773545219 IXKOQMQHFZSRTQ-UHFFFAOYSA-N 293.672 3.877 30 20 CHED CCNc1ccc(C#N)cc1NCCCOc1ccccc1 776848068 CEUPHTWPRWYDKN-UHFFFAOYSA-N 295.386 3.871 30 20 CHED Cc1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1C 776112424 UMZTYSRLIXTDOI-UHFFFAOYSA-N 279.339 3.727 30 20 CHED C=CCCOCCCCC(=O)Oc1cccc(C)c1C 776073572 QARLNBMUAJIWKC-UHFFFAOYSA-N 276.376 3.972 30 20 CHED CC(=NNC[C@H](C)C#N)c1cc2cc(Cl)ccc2o1 771111611 IYFNPRXCBPOXJV-SECBINFHSA-N 275.739 3.559 30 20 CHED CSc1cc(C(=O)OCCC(C)(C)C#N)ccc1F 776399230 IESFERPKAICKJZ-UHFFFAOYSA-N 281.352 3.644 30 20 CHED CC(C)c1nccnc1NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 773094902 SOXFOWYFPROKLX-RQJABVFESA-N 284.407 3.824 30 20 CHED C=CCC[C@@H](CCC)NC[C@](C)(O)c1ccc(F)cc1F 772986122 ADKKDVQQOKCIFD-PBHICJAKSA-N 297.389 3.897 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1 779460173 LLXYGACKKAZKBE-AATRIKPKSA-N 257.720 3.940 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1F 1129603147 NLJSJKNODJLFOI-STQMWFEESA-N 274.339 3.852 30 20 CHED CC(C)(C#N)COC(=O)c1ccnc(Oc2ccccc2)c1 781476092 NZEDYZBSLNXUML-UHFFFAOYSA-N 296.326 3.580 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1nc([C@H](C)SCC)no1 785759447 LGZAOCGHHCKBHF-HZMBPMFUSA-N 298.408 3.529 30 20 CHED C#Cc1cc(F)c(NCc2cccc(F)c2)c(F)c1 787910205 NNQQKWQZYCKWKL-UHFFFAOYSA-N 261.246 3.697 30 20 CHED Cc1cc(C=NNc2nccc3sccc23)sn1 785452726 IMXOTAUIMIGOQG-UHFFFAOYSA-N 274.374 3.507 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H](CC(F)(F)F)C1 880326112 ZQBWJJRQYJIZLW-LLVKDONJSA-N 277.330 3.780 30 20 CHED Cc1ccc2[nH]cc(C(=O)OCCC(C)(C)C#N)c2c1 780248223 VAUUIBNGXCVIEZ-UHFFFAOYSA-N 270.332 3.573 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(C)c(OC)c1 786628454 BBQXXRPBNODWRA-INIZCTEOSA-N 262.349 3.649 30 20 CHED Clc1ccccc1NN=CCC1CCOCC1 788697621 FPGHICJGWKHFKA-UHFFFAOYSA-N 252.745 3.554 30 20 CHED C#CCC1(C(=O)Nc2cnc3ccccc3n2)CCCCC1 788448361 BMOFMJPZDWRYAA-UHFFFAOYSA-N 293.370 3.542 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc(C)ccc1OC 785754287 QCKOZTBZTLMOGM-MRXNPFEDSA-N 262.349 3.649 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2cccc(O)c2)cc1C 783713902 WTBDBDZJFFNVMK-FPLPWBNLSA-N 282.339 3.914 30 20 CHED C=C(CC)C(=O)NCCc1cc2ccccc2s1 1123796534 ROIKWSMIAINPKC-UHFFFAOYSA-N 259.374 3.526 30 20 CHED CC(C)c1ccc(C(=O)OCCCCC#N)cc1[N+](=O)[O-] 784251777 HYIRDKOWQWWCRQ-UHFFFAOYSA-N 290.319 3.569 30 20 CHED C[C@@H]1CCCC(=NNc2ncnc3ccsc23)[C@@H]1C 781128709 TUGOLKHSWMRSJL-NXEZZACHSA-N 274.393 3.915 30 20 CHED CCC(=NNc1ccnc(F)c1)c1ccc2c(c1)CCCO2 781132367 KDPFWFWLNKSQOI-UHFFFAOYSA-N 299.349 3.772 30 20 CHED C=Cc1ccc(C(=O)OCc2cc(F)ccc2C#N)cc1 785624151 SZYCSRMNRLMSBG-UHFFFAOYSA-N 281.286 3.697 30 20 CHED COc1cc(C=NN[C@H]2CCCC2(C)C)cc(Cl)c1O 782302305 TWDHJLRKJGOVTN-ZDUSSCGKSA-N 296.798 3.556 30 20 CHED C=C(C)CN(CC)Cc1cnc(CC(F)(F)F)s1 891457550 SKECDLFBIRBYNY-UHFFFAOYSA-N 278.343 3.646 30 20 CHED Cc1cc(C(=O)OCc2ccccc2C(C)(C)C#N)ccn1 789028329 VGYKBBVENNZRPM-UHFFFAOYSA-N 294.354 3.548 30 20 CHED O=C1/C(=C\c2cnn(CC3CCC3)c2)Cc2ccc(F)cc21 899362184 MRYYPEOCIIKNPV-UUASQNMZSA-N 296.345 3.645 30 20 CHED N#Cc1ccc(C2CCN(CC3CCCC3)CC2)cc1 1202189589 AHWXMOPXXQFHQK-UHFFFAOYSA-N 268.404 3.928 30 20 CHED CC(C)(C)c1ccc(OC(=O)c2ccc(C#N)o2)cc1 796714702 YAOGZUVMNLEJFF-UHFFFAOYSA-N 269.300 3.668 30 20 CHED C=CCC1(C(=O)OCc2ccc(CC#N)cc2)CCC1 791557372 CWLJQDSXPNXMKS-UHFFFAOYSA-N 269.344 3.542 30 20 CHED C=C(Br)COC(=O)c1scc(C)c1Cl 791595939 USXOILSOFPMXIQ-UHFFFAOYSA-N 295.585 3.775 30 20 CHED CCCCCCCOC(=O)CCc1cncc(C)c1 796111153 VUYZHODIIOGWTP-UHFFFAOYSA-N 263.381 3.836 30 20 CHED CCC(=NOCc1ccccc1OC)c1ccc(C#N)cc1 799118787 UYOYHVYTRAEMRN-UHFFFAOYSA-N 294.354 3.898 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccc2ccccc2c1 797887890 UPMHSOALTSOKEU-UHFFFAOYSA-N 291.306 3.970 30 20 CHED CCCCCCCCN[C@@H](C)c1cc(C)nn1C 793529525 CIRDDQRZDUGUHR-AWEZNQCLSA-N 251.418 3.740 30 20 CHED CC(=NNc1ccccc1Cl)c1ccnc(F)c1 794862192 NEYQAQGDSNGRPC-UHFFFAOYSA-N 263.703 3.710 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)o1 796712329 MMDHLEXXNDZPJM-UHFFFAOYSA-N 282.082 3.677 30 20 CHED CC(C)CC1CCN(CCCC2(C#N)CCOCC2)CC1 799126549 GEDQXWWHIMEVAH-UHFFFAOYSA-N 292.467 3.845 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(Br)cc2)no1 791430531 CENOILUYSIKKKP-QPJJXVBHSA-N 292.132 3.642 30 20 CHED CC(CCC1CCCCC1)=NNc1nc2ccccn2n1 790196232 XCGVCHUGYMOFIK-UHFFFAOYSA-N 285.395 3.878 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1nc2ccccc2s1 797587174 RCALGFFRHHGHQO-LLVKDONJSA-N 271.389 3.641 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@H](F)c1ccccc1 799442748 XIGFWGFQFNEDDK-INIZCTEOSA-N 283.302 3.737 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 795992161 VXTIADLORJJXHJ-KLHDSHLOSA-N 276.424 3.647 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)cc1Cl)C(F)F 791725222 VCUWROULSZJXSE-UHFFFAOYSA-N 287.693 3.546 30 20 CHED C=CCC[C@H](N[C@H](C)C[C@@H](O)c1ccco1)c1ccco1 796795174 ALTWKQQLRLBAQC-QLFBSQMISA-N 289.375 3.982 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)C(C)C 799048845 WHBHYJGOULAPOV-KSSFIOAISA-N 279.383 3.717 30 20 CHED C=C(C)CNC(=S)N1C[C@H](C)CC[C@H]1c1ccccc1 795136305 MWVQQLPYRDCCOV-ZBFHGGJFSA-N 288.460 3.910 30 20 CHED CC1(C)C(CNC(=O)Nc2cc(C#N)ccc2F)C1(C)C 1219050223 UPARWPGSTZJNDY-UHFFFAOYSA-N 289.354 3.501 30 20 CHED Cc1cc(CNC[C@H]2CCC[C@H](C)C2)ccc1C#N 1461109605 JKUMUUJNELRQCF-ZFWWWQNUSA-N 256.393 3.783 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)o1 1317778924 ALONSHDXQUXOCN-TWGQIWQCSA-N 278.311 3.670 30 20 CHED N#Cc1ccc(SCCN2CCc3ccccc32)cc1 1165545688 LTYMZEOBQMPYBE-UHFFFAOYSA-N 280.396 3.713 30 20 CHED C=C(Cl)COC(=O)c1ccc2cc(OC)ccc2c1 1317717570 HYBVTAJPPSAXOA-UHFFFAOYSA-N 276.719 3.758 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 393763934 OMDCIVBZNASUNA-LSDHHAIUSA-N 296.455 3.720 30 20 CHED C=CCCCOC(=O)[C@H]1Cc2ccc(C)cc2S1 1328687729 UWZUEXXSHXBQJT-CQSZACIVSA-N 262.374 3.521 30 20 CHED N#CCc1cccc(N[C@@H]2CC[C@H](Cc3ccccc3)C2)n1 1320550248 BEPPRACZVNSQQE-SJLPKXTDSA-N 291.398 3.971 30 20 CHED N#CC[C@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 600180126 ZRJPGBHINBKLAY-SNVBAGLBSA-N 288.338 3.893 30 20 CHED C=CCC1(NC(=O)Nc2ccc(OCC#N)cc2)CCCC1 1328086751 REDYTHIQRMQAPP-UHFFFAOYSA-N 299.374 3.599 30 20 CHED COc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)ccc1F 1320165907 UZUDFDSPGSFRJD-CLTKARDFSA-N 298.313 3.761 30 20 CHED CC(C)(C#N)CCCCOc1cnc(F)cc1Cl 1323519185 KQLXFMBNFJNDSC-UHFFFAOYSA-N 270.735 3.973 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1oc2ccccc2c1CC 1320591901 LXBLEECUQWYXPE-OLZOCXBDSA-N 273.376 3.847 30 20 CHED C=C[C@@H](COC)N[C@@H]1CCc2c1ccc(Cl)c2Cl 1325619718 JPPJJRHTAXZTGT-TVQRCGJNSA-N 286.202 3.771 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 409579458 FUMGURSVKGWXRB-JSGCOSHPSA-N 271.364 3.506 30 20 CHED CC[C@@H](CC(C)C)C(=O)N1CCCC(C)(C)[C@H]1C#N 410767854 OAEPTYLWNDZPKJ-UONOGXRCSA-N 264.413 3.599 30 20 CHED CCCCCCCNCc1c(C)nn(CC)c1C 705836077 XBBGVRSUUSYGRW-UHFFFAOYSA-N 251.418 3.580 30 20 CHED CC1(C)CN(c2ccc(C#N)c(Br)c2)C1(C)C 708520298 MSXVCKIALQRKPY-UHFFFAOYSA-N 293.208 3.946 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 593636221 KYJQPIQTIICGHT-MGPQQGTHSA-N 264.413 3.647 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CC[C@@H](SC)C1 1324736752 PREJGVWBHOKSFP-CHWSQXEVSA-N 284.469 3.514 30 20 CHED N#Cc1cnc(N[C@@H]2C[C@H]2C2CCCCC2)c(Cl)c1 563488695 IQRFAHHZWORRCP-GXTWGEPZSA-N 275.783 3.987 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)CC#Cc1ccccc1)C1CC1 1252963680 VLDFUYGKXFXVGD-CVEARBPZSA-N 283.415 3.854 30 20 CHED Cc1cc([C@H](C)NC(=O)CC#Cc2ccccc2)c(C)s1 1323857981 UZAKWGPWRKKYPE-AWEZNQCLSA-N 297.423 3.984 30 20 CHED CCCCCCCCN1CC[C@@H]([C@@H]2CCOC2)C1 750253173 XDGGJHBSKJKIIV-HZPDHXFCSA-N 253.430 3.705 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@@H](C(F)(F)F)CC[C@@H]2C)n1 1339649434 PEEXQEDJKDKEAB-RYUDHWBXSA-N 297.324 3.737 30 20 CHED Cc1ccc(C[C@H](C)NCCc2ccc(C#N)cc2)cc1 1255774902 OUGQHFFTVJNDGF-INIZCTEOSA-N 278.399 3.630 30 20 CHED N#Cc1cccc(NC(=O)c2cccc3c2CCCC3)c1 1264121372 IHHZQMZTXDAFST-UHFFFAOYSA-N 276.339 3.689 30 20 CHED C=CC[C@@H](NC1CCC(C2CCCCC2)CC1)C(=O)O 1331932095 MSLCXPMSNDJOFT-UYSNPLJNSA-N 279.424 3.744 30 20 CHED C=C[C@@H](COC)N[C@@H](c1cccc(OC(C)C)c1)C(F)F 1261553975 PPDYJABOVRKGMF-ZFWWWQNUSA-N 299.361 3.571 30 20 CHED C=C[C@H](CC)CC(=O)O[C@H](C#N)Cc1ccc(F)cc1F 1347944943 LCBNJNLXMAQSMJ-RISCZKNCSA-N 293.313 3.545 30 20 CHED CCc1cccc2c1N(Cc1ccc(C#N)cc1C)CC2 1191862189 RODDSZCGPAZNPV-UHFFFAOYSA-N 276.383 3.992 30 20 CHED CCN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)[C@@H](C)C#N 1261755476 GGIPJLVTVUYMCS-TZIYXEQSSA-N 284.403 3.758 30 20 CHED C=C(CC)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 1349821998 SZWJZBFJLNXZSY-UHFFFAOYSA-N 299.374 3.689 30 20 CHED C[C@@H](CCC(=O)N[C@H](C#N)C1CCCC1)c1ccccc1 1354137186 FRRMJKGXFJVMRA-WMLDXEAASA-N 284.403 3.769 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1cccc(C)c1F 1438675823 MBOJHMZJZQBCJV-UHFFFAOYSA-N 288.347 3.734 30 20 CHED Cc1ccoc1C(=O)N(c1cccc(C#N)c1)C1CCC1 1350250993 CQSVDFLXHZTCPC-UHFFFAOYSA-N 280.327 3.659 30 20 CHED CSc1cc(C(=O)Nc2cc(C#N)ccc2C)c(C)o1 1355074585 OACHWHIBCKPTOQ-UHFFFAOYSA-N 286.356 3.742 30 20 CHED C=CCCCCCN1CCC(N(CC)CC)CC1 1209427626 WETNFKMCCHTWJT-UHFFFAOYSA-N 252.446 3.539 30 20 CHED N#Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2)cs1 1517396274 JAGHVAQLQYQTHJ-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Cc1cccc2cccnc12 1514860479 YIWLJYUAGNAOLB-KRWDZBQOSA-N 294.398 3.735 30 20 CHED COc1ccc(Nc2nc(C)ccc2C#N)cc1SC 1458430893 SJXJENDKKAZGLD-UHFFFAOYSA-N 285.372 3.736 30 20 CHED C=C(CC)C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 1528477193 LTLDTUSPZBKBGB-UHFFFAOYSA-N 283.293 3.597 30 20 CHED N#CC[C@H](C(=O)NCc1cccc(Cl)c1)c1ccccc1 1522184807 IXWMNVPGKONEKK-INIZCTEOSA-N 298.773 3.654 30 20 CHED Cc1ccc(C(C)(C)C(=O)Nc2cc(C#N)ccc2F)cc1 1528456655 OJWNVJKHSMBQLJ-UHFFFAOYSA-N 296.345 3.922 30 20 CHED N#C[C@@H](C(=O)c1sccc1C1CC1)c1cccc(F)n1 1524695805 KDAGHJPLXBTDNN-LLVKDONJSA-N 286.331 3.650 30 20 CHED N#CC1(CCNC2(CC(=O)O)CCCCC2)CCCCC1 1601054697 QZJJSKDKOJPSGA-UHFFFAOYSA-N 292.423 3.618 30 20 CHED CC1(C)CCCN(C(=O)[C@@H](CC#N)c2ccccc2)CC1 1523985788 KOPAXMIGASDGDD-INIZCTEOSA-N 284.403 3.723 30 20 CHED N#CCCCCSCc1cccc(C(=O)O)c1Cl 1601065652 LRSFPJGESMVHQN-UHFFFAOYSA-N 283.780 3.965 30 20 CHED Cc1ccc(CNc2cccc([C@@H](C)C(=O)O)c2)cc1C#N 1607783970 IFYYHGCXOILGOL-CYBMUJFWSA-N 294.354 3.667 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)c1ccc(C#N)cc1 1532651134 PFLYIBHCHCREQW-SFHVURJKSA-N 292.382 3.699 30 20 CHED CCc1ccc(C)nc1NC(=O)c1ccc(C#N)c(Cl)c1 1532285857 WELMTOMMBBNMAE-UHFFFAOYSA-N 299.761 3.730 30 20 CHED CCc1nc(C#N)cc(N2CC[C@@H](C)C3(CCCCC3)C2)n1 1472763127 NQJXQNJETOYWJR-CQSZACIVSA-N 298.434 3.707 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)Nc1cc(C#N)c(F)cc1F 1477014744 FNOQOMMHGQOQRB-ZDUSSCGKSA-N 293.317 3.537 30 20 CHED C[C@H](CN(C)Cc1cc(C#N)ccn1)C1CCCCC1 1473705999 IJBFOVNCHXTBHQ-CQSZACIVSA-N 271.408 3.601 30 20 CHED C/C=C\c1ccc(Oc2ccnc(C#N)c2)c(OC)c1 1639147157 OBLKWXFWNUWAFU-ARJAWSKDSA-N 266.300 3.787 30 20 CHED CC[C@H](CSc1ccccc1)Nc1cc(C#N)nc(C)n1 1639676718 QIVBVXJMTDUWMV-CYBMUJFWSA-N 298.415 3.640 30 20 CHED CCc1cccc(CSc2cccnc2C#N)c1 1656553929 XDUYBYWGJGOJSK-UHFFFAOYSA-N 254.358 3.808 30 20 CHED C#Cc1cccc(CN[C@H]2CCC[C@H](CCCC(=O)O)C2)c1 1588522297 OJCGDFACDWUCGX-AEFFLSMTSA-N 299.414 3.571 30 20 CHED C=CC[C@@H](S[C@@H](C)c1cccc(OC)c1)C(=O)O 1588758284 FHMCGLZDFKEPMA-GXFFZTMASA-N 266.362 3.519 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cc(OC)c2ccccc2c1)C(=O)O 1588746876 WIXVVDHUQKUXNO-BLLLJJGKSA-N 299.370 3.528 30 20 CHED CCC1(CC)[C@H](NCc2ccc(C#N)c(C)c2)C[C@H]1OC 1662022743 VGDXXRQTNYMMJE-IAGOWNOFSA-N 286.419 3.550 30 20 CHED C[C@@H]1C[C@H]1CNC(=O)Nc1scc(C(C)(C)C)c1C#N 1677855021 FUELTKFHSRVDTL-ZJUUUORDSA-N 291.420 3.695 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCC[C@@H](C(C)C)CC2)n1 1642600275 MBHJSSSDHDSQPV-ZIAGYGMSSA-N 272.396 3.674 30 20 CHED C=CCc1cccc(CN2CCC[C@@](CC=C)(C(=O)O)C2)c1 1776187182 MNVDZYZXVNFDBN-LJQANCHMSA-N 299.414 3.658 30 20 CHED Cc1ccsc1/C=C1/C[C@H](C(=O)O)c2ccccc2C1=O 1777477366 BSMIVXOWUOJRIK-FPAJZGIOSA-N 298.363 3.895 30 20 CHED C=CCc1ccccc1CN[C@@H](CCCC(C)C)C(=O)O 1776188249 CCQGJIAXEBEOEJ-KRWDZBQOSA-N 289.419 3.784 30 20 CHED O=C(O)c1cc(/C=C\C(=O)c2ccccc2Cl)cs1 1776115351 VPFZPSBETWYTFR-WAYWQWQTSA-N 292.743 3.996 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@H](C)c2ccc3c(c2)CCC3)C1 1776157363 FSSRSYPIJGWJJF-AUUYWEPGSA-N 299.414 3.589 30 20 CHED C[C@@H]1CCC(F)(F)CCC1=NNc1ccccc1C(=O)O 1776031947 GCDXLAWVBXHJBA-SNVBAGLBSA-N 296.317 3.998 30 20 CHED C=CCCCCCCCCCNc1ccc(C(=O)O)nn1 1776172493 PFYBUYHDGFLPCV-UHFFFAOYSA-N 291.395 3.894 30 20 CHED C=CCCCCCN(C)Cc1cccc(C(=O)N(C)C)c1 150896772 YMWYNKMMODPVBW-UHFFFAOYSA-N 288.435 3.567 30 20 CHED CC(C(=O)[C@@H](C#N)c1nc(C)cs1)=C1CCCC1 161883382 FPNWWBRLZXQRHD-GFCCVEGCSA-N 260.362 3.518 30 20 CHED CN1C(=O)CCc2cc(C(=O)/C=C/c3ccsc3)ccc21 162717799 PINQCXXGLISSEZ-QHHAFSJGSA-N 297.379 3.553 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC1CCC1 1653427607 MSECOLUIMHPDFZ-ZWKOTPCHSA-N 268.404 3.948 30 20 CHED N#Cc1ccc([C@@H](O)CN(CC2CC2)C2CCCCC2)cc1 156052282 WYBCMMKKNBUSQB-IBGZPJMESA-N 298.430 3.636 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2[C@H]3[C@@H]4CC[C@H](C4)[C@@H]23)cc1 155925261 PRAZZOQNFNMFGZ-WVKAWXBWSA-N 294.398 3.718 30 20 CHED O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccccc1O 156595942 KSAOMZCBWCHTQY-ZHACJKMWSA-N 291.306 3.943 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H](CC)CCO)cc1 159221784 QIOOPTMURMFLHJ-ZFWWWQNUSA-N 297.826 3.630 30 20 CHED COc1ccc(Cl)cc1COc1ccc(C#N)c(F)c1 113649751 MBCUFKDFQBVRQA-UHFFFAOYSA-N 291.709 3.938 30 20 CHED N#Cc1cc(CNc2c(F)cc(F)cc2F)ccc1F 229723826 MCXJTWBTBHJOOV-UHFFFAOYSA-N 280.224 3.727 30 20 CHED CCC(CC)C(=O)Nc1ccc(Cl)c(C#N)c1 122079782 KFJJWICFBASJSA-UHFFFAOYSA-N 250.729 3.586 30 20 CHED CCCCCCCC(=O)N1CCCCC[C@H]1C[C@@H](C)O 125207596 KZGMWWHSCZARQS-CVEARBPZSA-N 283.456 3.889 30 20 CHED N#Cc1ccc(CNc2ccc(C(F)(F)F)cc2)o1 164827395 PWKPAPCYXSDJLT-UHFFFAOYSA-N 266.222 3.782 30 20 CHED Cc1cc(C#N)ccc1COc1cc(Cl)ccc1C#N 165573171 DEGDCUOVXMFHJB-UHFFFAOYSA-N 282.730 3.971 30 20 CHED CCS[C@@H]1CCC[C@H]1N[C@H](C)c1cccc(C#N)c1 286090882 KPGJYUVZAXKPKB-DAXOMENPSA-N 274.433 3.883 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(F)cc1C#N 402562352 MEEZZAZCPLURDM-QMMMGPOBSA-N 288.244 3.614 30 20 CHED CCOc1cc(C#N)ccc1OCC=C(Cl)Cl 403343380 JJALDKIDFBRVNY-UHFFFAOYSA-N 272.131 3.655 30 20 CHED C=CCCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 309856161 DGPFGKCUVSYSHV-CQSZACIVSA-N 296.455 3.578 30 20 CHED CC[C@@]1(C)CCCN(c2nccc(C#N)c2Cl)C1 342261321 AQLSFWAETUZWRB-AWEZNQCLSA-N 263.772 3.623 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C)C1 345077737 ZEMDNMQUQRVBCN-ZBFHGGJFSA-N 257.377 3.637 30 20 CHED C=CCCCNc1ccc(OC)cc1Br 380316288 JANSOCJZYKFOIR-UHFFFAOYSA-N 270.170 3.836 30 20 CHED C=CC(C)(C)CNCc1cc([N+](=O)[O-])ccc1Cl 385218787 RHWMCQHVOMTTCE-UHFFFAOYSA-N 268.744 3.550 30 20 CHED Cc1nc(N[C@@H]2CCCC[C@H]2F)c(Cl)cc1C#N 1640025192 MTADTRBTXXLIRA-VXGBXAGGSA-N 267.735 3.608 30 20 CHED CC(=O)CCc1ccc(OCc2ccc(C#N)cc2F)cc1 10610424 RDTVTQBZPYWPHP-UHFFFAOYSA-N 297.329 3.798 30 20 CHED C=CCc1ccc(OC(=O)c2ccccc2F)c(OC)c1 29123850 PWRNVHYUBRZSCZ-UHFFFAOYSA-N 286.302 3.782 30 20 CHED O=C1/C(=C/c2ccccc2)CCOc2ccccc21 39208005 REEUQFROMBQUOU-WYMLVPIESA-N 250.297 3.735 30 20 CHED C[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 41535315 CJWMJZVZZYPKJF-KGYLQXTDSA-N 282.368 3.642 30 20 CHED N#Cc1ccc(N[C@H]2CCSc3ccc(F)cc32)nc1 42848084 ORXTZEJGGQMCNI-ZDUSSCGKSA-N 285.347 3.741 30 20 CHED Cc1ccc(C)c(NC(=O)Nc2ccc(C#N)cc2)c1 45027164 GQJMEYCCBDNFGX-UHFFFAOYSA-N 265.316 3.819 30 20 CHED COc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc1 48578950 GEUUDUYNOLOTHN-FARCUNLSSA-N 289.312 3.561 30 20 CHED Cc1ccccc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 49882737 VMTOIVASMAQUOI-OAHLLOKOSA-N 284.746 3.643 30 20 CHED C[C@@H]1CCC[C@](CNc2cccc(F)c2C#N)(N(C)C)C1 60452356 KDCHTXPQDFUCBX-DYVFJYSZSA-N 289.398 3.620 30 20 CHED Cc1c([C@@H](C)OC(=O)CSCC#N)oc2ccccc12 60787913 WGROVTOWSORHMH-LLVKDONJSA-N 289.356 3.602 30 20 CHED CCC(C#N)(CC)C(=O)NCc1ccccc1C(F)(F)F 61627106 ZNSUOMAWAJTWED-UHFFFAOYSA-N 298.308 3.652 30 20 CHED N#Cc1cc(Oc2ccc(Br)cc2F)ccn1 61815362 PZVSHKQOPTXDGE-UHFFFAOYSA-N 293.095 3.647 30 20 CHED C[C@@H](C#N)NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 68925495 YTVDVGQUEMPWTD-JQWIXIFHSA-N 290.432 3.541 30 20 CHED C=CCOc1ccc(O[C@@H](C)c2nc(C(C)C)no2)cc1 72921364 UNNCMNOVYRGFTP-LBPRGKRZSA-N 288.347 3.898 30 20 CHED O/C(=N\c1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 76365359 VMDSQGMSAHKFOG-UHFFFAOYSA-N 298.733 3.761 30 20 CHED N#C[C@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 80394989 KTQYOKALZOZHOX-KRWDZBQOSA-N 293.322 3.938 30 20 CHED Cc1ccccc1N(C(=O)c1cc(C#N)cs1)C(C)C 84108324 GVCKBPKBZJVQOG-UHFFFAOYSA-N 284.384 3.983 30 20 CHED CC(C)CN(CC(F)(F)F)CC(C)(C)CCC#N 92030763 LMLKZWQWLWVCMX-UHFFFAOYSA-N 264.335 3.837 30 20 CHED Cc1cccc(C2=CCN(c3ccc(C#N)nc3)CC2)c1 92696636 JGPNFEDPIRIERB-UHFFFAOYSA-N 275.355 3.555 30 20 CHED CCOCCN(C)Cc1ccc(-c2ccccc2C#N)cc1 93313996 QMXLILPXJRYJSJ-UHFFFAOYSA-N 294.398 3.694 30 20 CHED CC(C)(CCC#N)CN1CCS[C@@H]2CCCC[C@@H]21 93690470 GEAGYXPVCNLHIT-UONOGXRCSA-N 266.454 3.676 30 20 CHED C=C(C)CN(CC)C(=O)COc1cccc2ccccc12 97528405 XCFJEILOPNBJDE-UHFFFAOYSA-N 283.371 3.643 30 20 CHED COc1ccc([C@H](C)N(C)Cc2ccc(F)cc2C#N)cc1 103139603 WSLVFSXZOAWESY-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1cccs1 106486986 ABARQODSRNZHTL-AUWJEWJLSA-N 251.738 3.726 30 20 CHED C=CCCC(=O)NCCCCCOC1CCCCC1 110564696 FAYXIOHHYGGILJ-UHFFFAOYSA-N 267.413 3.588 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C)c(OC(F)F)c1 114667852 BAWAQVPSNBEFAM-LLVKDONJSA-N 299.317 3.516 30 20 CHED C=CCSCc1nc(-c2ccc(OCC)cc2)no1 114756627 KTFYOHFFQGJBTO-UHFFFAOYSA-N 276.361 3.555 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](c1ccccc1)[C@H](C)CC 116851464 IYZCDXNHOXWVMF-IJEWVQPXSA-N 259.393 3.897 30 20 CHED N#Cc1ccc(OCCN[C@@H](c2ccccc2)C2CC2)cc1 120206640 VXWUDRFHKUMAPE-IBGZPJMESA-N 292.382 3.678 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H](C)c1ccc(OC)cc1 122038938 WDIAYSZPPNZCAH-AWEZNQCLSA-N 287.403 3.983 30 20 CHED N#Cc1cnc2ccccc2c1NCCC1CCC1 122976059 TZDYZMQTRGKWEO-UHFFFAOYSA-N 251.333 3.709 30 20 CHED CCCCCCCCC(=O)NC1C[C@H](C)O[C@@H](C)C1 123088694 PFWZNOOLJYXBJQ-KBPBESRZSA-N 269.429 3.809 30 20 CHED COc1cccc([C@H]2CCCN2Cc2cc(C#N)cs2)c1 124256129 MXMRKTBQFZTFRI-QGZVFWFLSA-N 298.411 3.965 30 20 CHED CC(C)(CC(=O)N(CC#N)C1CCCC1)c1ccccc1 125118833 IWVPHLLSKWKQKW-UHFFFAOYSA-N 284.403 3.649 30 20 CHED CCCCc1noc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)n1 127504939 PFZIHURRXDPBNW-QWHCGFSZSA-N 298.390 3.696 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 128529162 HZEWWPOZGGZQGV-SECBINFHSA-N 287.190 3.709 30 20 CHED CCOCc1cccc(NCc2ccc(C#N)cc2)c1 128906644 RNVLYYWTQULTRP-UHFFFAOYSA-N 266.344 3.707 30 20 CHED N#Cc1cc(F)ccc1NCCCn1cnc2ccccc21 130933769 YSSXRSNKVTUGGP-UHFFFAOYSA-N 294.333 3.549 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCOC2(CCCC2)C1 135254343 FXXZVEXNSRSFJA-CQSZACIVSA-N 274.339 3.601 30 20 CHED C=CCC(CC=C)C(=O)N(CC)c1ccc(C#N)cc1 152123831 VFXMMKDXCPBGRX-UHFFFAOYSA-N 268.360 3.680 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCCC2(C)C)CC1 153059289 YQNOGRKARKKSRM-INIZCTEOSA-N 264.457 3.585 30 20 CHED C=CCC[C@H](NC(=O)N[C@H](C)C1CC1)c1ccccc1 156147513 CXOOJSSLDTWGEB-CJNGLKHVSA-N 272.392 3.792 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(CC1CC1)CC1CC1 158789389 GNPVTVXAWADXCG-UHFFFAOYSA-N 283.375 3.521 30 20 CHED Cc1ccc(CN(CCC#N)Cc2ccco2)cc1C 159602819 LVHDZQVNJYTXTJ-UHFFFAOYSA-N 268.360 3.812 30 20 CHED Cc1cccc(SCC(=O)c2cccc(C#N)c2)c1 160837194 ZBNSURNGRNSYEE-UHFFFAOYSA-N 267.353 3.842 30 20 CHED CCN(Cc1ccc(Cl)s1)C(=O)NCCCCC#N 170887452 AZGRXLMBPUTISS-UHFFFAOYSA-N 299.827 3.627 30 20 CHED O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1cnccn1 172213850 SVWWNFJAVMEDRI-FNORWQNLSA-N 294.285 3.772 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@H](C)C1 172812130 LGDDQZRMXJCPGO-FZMZJTMJSA-N 256.349 3.632 30 20 CHED C=CCCC(=O)OCc1ccccc1NC(=O)c1ccco1 174657445 CIJHXJGETGKHPO-UHFFFAOYSA-N 299.326 3.541 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1oc(C)cc1C 176112499 AWWSMWSMEZHUFF-UHFFFAOYSA-N 287.334 3.864 30 20 CHED CCS[C@@H]1CCC[C@H](NCC(C)(C)CCC#N)C1 176982968 HRWNAGPJTIYJEK-UONOGXRCSA-N 268.470 3.970 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2ccn(C)c2c1 177005215 PKHZBRVYSRPSLE-UHFFFAOYSA-N 268.360 3.885 30 20 CHED N#CCOc1cc(F)ccc1NCc1cccc(Cl)c1 178037541 JYMHHPJXSBCHNT-UHFFFAOYSA-N 290.725 3.994 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)[C@H](C)CC)c1ccccc1 179107397 QCAZFFXXQRDQTJ-RBSFLKMASA-N 259.393 3.897 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)C1CCC1 179819196 MWDZVCLTRDYYCA-CYBMUJFWSA-N 258.365 3.970 30 20 CHED C=C[C@@H](CC(=O)Nc1ccccc1C#N)c1ccccc1 179877447 CQXUPLPYTUOHKD-AWEZNQCLSA-N 276.339 3.857 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 180287219 AELBJRJGJAYPES-PBHICJAKSA-N 287.378 3.929 30 20 CHED C=CCOc1ccc(CNCC2(OC)CCC2)cc1Cl 181087066 PZCKSYGRJXWXJI-UHFFFAOYSA-N 295.810 3.564 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2ccccc2O[C@@H](C)C#N)C1 182038392 AAVGFHAXNHTTBO-MELADBBJSA-N 286.375 3.742 30 20 CHED C=CCCOCCN[C@H](C)c1cc2cccc(OC)c2o1 182079881 JTTWCFQZMIQQIX-CYBMUJFWSA-N 289.375 3.685 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@H](C)c1c(C)noc1C 182579754 WGTQTLNVZICTPY-NEPJUHHUSA-N 278.396 3.646 30 20 CHED CC#CCCCC(=O)OCc1ccc(OC(F)F)cc1 185245943 LHCGGHXUARPLHN-UHFFFAOYSA-N 282.286 3.525 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(C)ccc1C 189900315 QTIVWGCYTCCHIC-UHFFFAOYSA-N 272.392 3.848 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(OC)cc2)no1 191165271 MPOMJDIMGKINNO-OAHLLOKOSA-N 258.321 3.599 30 20 CHED CCCNc1ccc(CNCC(C)(C)CCC#N)cc1 193152121 UGAVHEPBVZLXOC-UHFFFAOYSA-N 273.424 3.928 30 20 CHED N#Cc1cc(NCc2ccccc2C#N)ccc1Cl 219591557 KSYNKURYTVXJEV-UHFFFAOYSA-N 267.719 3.695 30 20 CHED N#Cc1cccc(-c2nc(Cc3cccc(Cl)c3)no2)c1 225269619 ZMUTVLQOBMGZJP-UHFFFAOYSA-N 295.729 3.852 30 20 CHED CC1(C)CCN(c2ccc(C#N)c(Cl)c2)CCS1 228001289 XBKXIYHMXDFIDS-UHFFFAOYSA-N 280.824 3.934 30 20 CHED CCS[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1C 233846215 PTRDLRZCBDGDJR-HZPDHXFCSA-N 274.433 3.631 30 20 CHED CC(C)[C@@H](CNCc1ccc(C#N)cc1)N1CCCCCC1 236695706 GYPZUMGEZFEZSB-LJQANCHMSA-N 299.462 3.548 30 20 CHED Cc1ccc(NCCC(=O)Nc2cccc(C#N)c2)c(C)c1 242747323 DGAHPUQRJKHWHY-UHFFFAOYSA-N 293.370 3.616 30 20 CHED CC[C@@H](CC(=O)N(CCC#N)Cc1ccco1)C(C)C 264228206 VXKUCZYMNXCHTG-AWEZNQCLSA-N 276.380 3.594 30 20 CHED N#C[C@@H](NC(=O)CC1CCC1)c1c(Cl)cccc1Cl 266311529 GBIYIXTXZMSETF-GFCCVEGCSA-N 297.185 3.864 30 20 CHED N#Cc1nc(N2CCC[C@H]2c2ccccc2)ccc1Cl 267241031 RTSLKXMGABHREC-HNNXBMFYSA-N 283.762 3.948 30 20 CHED N#Cc1cccc(Cl)c1N[C@H]1CCOC2(CCC2)C1 269000717 XZWLAXRDOCRORM-LBPRGKRZSA-N 276.767 3.725 30 20 CHED Cc1cc(NC(=O)[C@@H](C)CCC(C)(C)C)nn1CCC#N 273232669 FZKXZWPDKUVPMF-LBPRGKRZSA-N 290.411 3.506 30 20 CHED C=CC[C@@H](C(=O)Nc1c(C)noc1C)c1ccccc1 274989146 HUVPEOODYYWKNC-CQSZACIVSA-N 270.332 3.590 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC([C@@H]2CCCO2)CC1 275801858 DDLIVOHGMUNFPS-INIZCTEOSA-N 290.794 3.607 30 20 CHED Cc1cc(O[C@H](C)c2nc(C(C)C)no2)ccc1C#N 277468772 JMGPHEQXMONZFW-LLVKDONJSA-N 271.320 3.513 30 20 CHED C#CCCCC(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 277634744 LDYSXVJXWFXALG-KRWDZBQOSA-N 273.351 3.505 30 20 CHED CC1(C)CCCN(C(=O)c2cc(F)cc(Cl)c2)[C@@H]1C#N 278105462 ZQQIEPKHRPFLON-CYBMUJFWSA-N 294.757 3.633 30 20 CHED N#C[C@H]1CC[C@@H](Sc2ccc(Br)cn2)C1 278526387 HNRNRYQNSPGTGF-WCBMZHEXSA-N 283.194 3.628 30 20 CHED Cc1ccc2[nH]c(S[C@H]3CC[C@H](C#N)C3)nc2c1 278560967 MMXKJZFSWUYKTJ-QWRGUYRKSA-N 257.362 3.656 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCC[C@@H](c2ncccc2C)C1 281182163 HTXPGDQFRLSYHY-BZUAXINKSA-N 271.408 3.698 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NCC1CCC(C#N)CC1 281613101 JFCWJZXXNMMDKH-UHFFFAOYSA-N 273.336 3.645 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(-c2ncco2)cc1 282013116 RMAYHULZBJUJDR-CYBMUJFWSA-N 285.347 3.818 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N[C@H]2CC23CCCCC3)c1 285801071 LUTVEDSMTURNEC-AWEZNQCLSA-N 288.778 3.664 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(C2CCC2)c1 293262282 LGFWAFDMUHUVLD-UHFFFAOYSA-N 280.327 3.980 30 20 CHED C=CCSCCN[C@@H]1CCCc2nc(Cl)ccc21 297060930 WADOLJSRRREMPH-GFCCVEGCSA-N 282.840 3.621 30 20 CHED N#Cc1ccc(Oc2ccc(Nc3ncccn3)cc2)cc1 301167460 IKMVOPYMHYVIAC-UHFFFAOYSA-N 288.310 3.884 30 20 CHED N#Cc1cc(F)ccc1NCc1coc(-c2ccccc2)n1 301435607 RVOVKNPYOXNFLK-UHFFFAOYSA-N 293.301 3.964 30 20 CHED N#Cc1ccc(NCC2(c3ccccc3Cl)CC2)cn1 301918691 WNJYUOVHXBQGEI-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1Nc1cccc(F)c1C#N 302416469 IWRNUOIWUJIKTP-HOTGVXAUSA-N 276.355 3.703 30 20 CHED COc1cccc(N/C(N)=N/CCCC2CCCCC2)c1 303898825 RFLPERQXUCLXIA-UHFFFAOYSA-N 289.423 3.782 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(C)Cc1cccc(C#N)c1 308060675 YRRWYHTUAHLQRH-QGZVFWFLSA-N 286.419 3.979 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(F)c(C)c2)c1 308162395 NOKACFCCKSTIIU-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#Cc1ccc(CNCc2cc(Cl)sc2Cl)o1 312774723 WWKBZROUHXHAMU-UHFFFAOYSA-N 287.171 3.809 30 20 CHED C[C@H](CC(=O)NCC(C)(C)CC#N)CC(C)(C)C 315460498 SWYKSDOUBHRYIG-GFCCVEGCSA-N 252.402 3.505 30 20 CHED CCc1nc(CC/N=C(/O)CC2CCC(C)(C)CC2)no1 328643520 FMEZIQRXZIMKAY-UHFFFAOYSA-N 293.411 3.738 30 20 CHED N#CC1(c2nc(CC3CCCCC3)no2)CCCC1 329546436 AVGHYQLUGOZEOP-UHFFFAOYSA-N 259.353 3.528 30 20 CHED CC[C@H](/N=C(/O)c1oc2c(C)cccc2c1C)[C@@H](C)O 331359503 WOMNLGQAQGWYCK-YPMHNXCESA-N 275.348 3.514 30 20 CHED CCC1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCCC1 333591080 SSLJRSSKQRVSQV-KRWDZBQOSA-N 274.408 3.547 30 20 CHED Cc1cccc2c(C(=O)N3CCC(CCC#N)CC3)coc12 335500246 ARSXVSIILMYLGP-UHFFFAOYSA-N 296.370 3.897 30 20 CHED Cc1c(C(=O)NC(C)(C)CF)sc2ccc(C#N)cc12 336470541 IEUQUUOYDUOJSK-UHFFFAOYSA-N 290.363 3.559 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1sccc1Cl 336471407 DRSZSBUNVRLURH-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C=CCOc1cccc(CNc2ncccc2C)c1 338194606 OSDZANYKMUFPCA-UHFFFAOYSA-N 254.333 3.567 30 20 CHED N#Cc1cnc(NCc2cccc(Cl)c2)c(Cl)c1 339236217 RPISOOBHBBSPGH-UHFFFAOYSA-N 278.142 3.872 30 20 CHED Cc1nsc(NCc2ccccc2OC(C)C)c1C#N 341596619 XMNHEOBKXIYFQV-UHFFFAOYSA-N 287.388 3.723 30 20 CHED CC(C)(C)OC(=O)CCCSc1ccc(C#N)cc1F 342550178 UYWZSFLHKAJOBV-UHFFFAOYSA-N 295.379 3.911 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CCCc1ccccc1 343020096 ILEHPEYSVWETFU-UHFFFAOYSA-N 286.419 3.798 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)c(F)c1 344363424 ANJCRMJIUJOREO-KRWDZBQOSA-N 296.345 3.887 30 20 CHED CCC1(CC)CCCN(C(=O)c2cccc(C#N)c2)CC1 346902805 ZKIQYGINBIMMET-UHFFFAOYSA-N 284.403 3.991 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(C(C)C)nc2)no1 347123877 TVMJGXMXXMGUDB-UHFFFAOYSA-N 294.358 3.910 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2C[C@H]3CC[C@H]2C3)c1 347430271 NJEJJYJOUIDUBL-NOLJZWGESA-N 268.360 3.609 30 20 CHED C[C@H](CCc1n[nH]c2ccccc12)NCC(C)(C)CCC#N 348204667 HLHPPPONLGTMKL-CQSZACIVSA-N 298.434 3.804 30 20 CHED CC1CCC(C)(NC(=O)NCC(C)(C)CCC#N)CC1 352901068 KTQHRSFSUGWQCB-UHFFFAOYSA-N 279.428 3.584 30 20 CHED CN(Cc1cccc(Cl)c1Cl)c1cnccc1C#N 354569390 PGFUVAAYIMATCD-UHFFFAOYSA-N 292.169 3.896 30 20 CHED N#CC[C@@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccccc1 356302982 MTOJKXDPEPWBNI-OKZBNKHCSA-N 296.414 3.723 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(COc2ccc(F)cc2)c1 359132881 VHSVXGQXVCCONA-GFCCVEGCSA-N 298.317 3.503 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(C(C)=O)c1 359696858 QHGCEOKKJWNKHZ-UHFFFAOYSA-N 293.366 3.718 30 20 CHED Cc1cccc(C)c1NCCOc1cccc(C#N)c1 360346821 CABXPUDNIMAECJ-UHFFFAOYSA-N 266.344 3.666 30 20 CHED N#CCCCC(=O)N(CCc1ccccc1)C1CCCC1 360377149 NMZBFYOUBQVKSJ-UHFFFAOYSA-N 284.403 3.694 30 20 CHED CCCCCCCNc1ccc2c(c1)CN(C(C)=O)C2 371203071 PUZFNKHPFOKOQJ-UHFFFAOYSA-N 274.408 3.931 30 20 CHED Cc1nsc(NCc2ncoc2-c2ccccc2)c1C#N 376449464 NAJDOLXHZJVNFS-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cccc(NC(C)=O)c1 384920783 GKWAJNOOPVKHMJ-GFCCVEGCSA-N 260.381 3.508 30 20 CHED Cc1cccc(CN(C)Cc2ccc(CC#N)cc2)c1 399130831 WZCJRNFCZVOTKA-UHFFFAOYSA-N 264.372 3.693 30 20 CHED C=C(CC)CN[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 400663054 PQQJNWUXVLXPNP-AWEZNQCLSA-N 296.455 3.578 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC(C)(C)C)cc1 410127359 LXHXHZKYHLSGLR-AWEZNQCLSA-N 275.392 3.948 30 20 CHED CC[C@@H](C)C(=O)Nc1scc(C(C)(C)C)c1C#N 410929716 ODKMTJKUQZCQKF-SECBINFHSA-N 264.394 3.902 30 20 CHED CCC[C@H](OC)C(=O)Nc1scc(C(C)(C)C)c1C#N 410933750 ZNBUXHBOTLRXNL-LBPRGKRZSA-N 294.420 3.671 30 20 CHED CCOC[C@@H](NCCC1(C#N)CCCCC1)C(C)C 411722269 QKXRVPVAPDBPTQ-OAHLLOKOSA-N 266.429 3.501 30 20 CHED N#CCc1ccc(CN2CCSC3(CCC3)CC2)cc1 411878161 VAMDYDJDHPUBCP-UHFFFAOYSA-N 286.444 3.614 30 20 CHED CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)c1ccc(C#N)cc1 411893074 NRWWDZNTXXDMPX-BKTGTZMESA-N 292.382 3.521 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 412117028 CQIXRYWQYQHVIU-DLBZAZTESA-N 287.403 3.701 30 20 CHED C[C@@H](CCC#N)Sc1ccc2c(c1)OCCCO2 412977644 LKXIRTQKRBZERB-NSHDSACASA-N 263.362 3.632 30 20 CHED N#CCCSCc1ccccc1OCC(F)(F)F 413011761 JRYADYIZTFMFNC-UHFFFAOYSA-N 275.295 3.775 30 20 CHED CC[C@H](CNCc1ccc(C#N)c(C)c1)CC(F)(F)F 414505980 BIHUDCBGGZVPDW-LBPRGKRZSA-N 284.325 3.935 30 20 CHED CC(C)CC1(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 416093980 DZTQANOLCRYLMP-KRWDZBQOSA-N 296.414 3.878 30 20 CHED CC(C)[C@H](C)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416096871 IKZMGGDXDUMRDS-CXAGYDPISA-N 284.403 3.734 30 20 CHED C[C@@H](Cc1coc2ccccc12)NCC1(C#N)CCC1 418144995 WGSVNPMHUIQHJC-ZDUSSCGKSA-N 268.360 3.647 30 20 CHED C=C(C)CCSCc1ccn(CC(F)(F)F)n1 419478339 RMSNAFURGZCTSQ-UHFFFAOYSA-N 264.316 3.645 30 20 CHED CC[C@H](Nc1cncc(C#N)n1)C(C)(C)c1ccccc1 420593909 CKNCMUYHAFVGMM-HNNXBMFYSA-N 280.375 3.517 30 20 CHED C=CCCCC[C@@H](C)NC[C@]1(C)C[C@H]2CC[C@H]1O2 424297642 RHOATJQGNOAWQV-FPCVCCKLSA-N 251.414 3.669 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 424677060 IADGNQHSDBHITE-UONOGXRCSA-N 281.440 3.546 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1 424843243 UUGAZXUARWFOOZ-JKSUJKDBSA-N 287.403 3.660 30 20 CHED C=CCOc1ccc(CN2CC[C@H]3CCC[C@H]32)cc1 428454483 RGJJPMDQGJHZCA-NVXWUHKLSA-N 257.377 3.626 30 20 CHED Cc1ncccc1NCc1ccc(F)c(C#N)c1Cl 428867313 KITOJHRTGUCFIP-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CCn1cccc1C(=O)N(C)c1ccc(OC(C)C)cc1 430552570 YRXMEZJXVXUSBI-UHFFFAOYSA-N 298.386 3.738 30 20 CHED C=C[C@H](Cc1nc(-c2ccnc(C)c2)no1)c1ccccc1 432684338 DFUPYOHPEFSHLC-CQSZACIVSA-N 291.354 3.952 30 20 CHED Fc1ccc(C#CCNc2ccccc2OC(F)F)cc1 433444935 XAEASQUSOFCVML-UHFFFAOYSA-N 291.272 3.891 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H](C)C1 435367473 WRVDPGRLZNOCTR-CKEIUWERSA-N 296.414 3.531 30 20 CHED CCc1ccc(NC(=O)c2cc(C#N)oc2C)cc1C 436145707 AEZVODUSKXRTSV-UHFFFAOYSA-N 268.316 3.583 30 20 CHED CC(=O)[C@H](Cc1ccccc1F)Sc1cccc(C#N)c1 436185223 NCETXIKNZHRBCM-KRWDZBQOSA-N 299.370 3.990 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@H]1CCCC 436308847 NSBRSVJLORKZPJ-VQHPVUNQSA-N 265.441 3.916 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)[C@H](C)CCC 436309676 PANSQEPTBQONOX-WCVJEAGWSA-N 253.430 3.772 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)Cc1ccc(C)cc1 436312116 JQTHOUAJYAQXMI-QRVBRYPASA-N 287.447 3.887 30 20 CHED COc1ccc(C#N)cc1CN1C[C@H](C)CCC[C@H]1C 438060575 HWWNFFKXMFZGIC-ZIAGYGMSSA-N 272.392 3.577 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(C)nn1CCCCC 439442621 MDNBTLFLVGJHPV-CQSZACIVSA-N 292.427 3.858 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(COCC)cc1 439449960 HDGVEKBEPIHFDR-CQSZACIVSA-N 276.380 3.699 30 20 CHED Cc1cccc(C(C)(C)CN[C@@H]2CC[C@H](C#N)C2)c1 442783763 RYBMBOJBBZVLQP-GOEBONIOSA-N 256.393 3.555 30 20 CHED CN(C)CCCC1CCN(CCCCC(C)(C)C#N)CC1 444687923 HRFSWWFUBXYAOG-UHFFFAOYSA-N 293.499 3.760 30 20 CHED N#Cc1ccc(OCCCC2CCOCC2)cc1Cl 447794930 KZLOFKMFGFHWFC-UHFFFAOYSA-N 279.767 3.797 30 20 CHED CCOC(=O)C[C@H](C)SCC#Cc1cccc(Cl)c1 448097454 OBGKIAGCIRYUBR-LBPRGKRZSA-N 296.819 3.766 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccncc1F 449012523 DGONJFTYOKFNAD-UHFFFAOYSA-N 283.350 3.503 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cc(C3CC3)ccc2F)C1 449373518 RMYHFYCWXFWUHK-WBMJQRKESA-N 272.367 3.875 30 20 CHED C=CCC[C@H](CCC)Nc1cc(C)cc(C(N)=O)c1 449526426 DQQBFGVAMGAMTE-AWEZNQCLSA-N 260.381 3.641 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc(SC)c(F)c1 449697059 JVTBBRRPUSJSCG-DGCLKSJQSA-N 283.412 3.525 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 449697955 MLEBOJZRNNIUOM-DVOMOZLQSA-N 281.827 3.749 30 20 CHED C=CCC1(C(=O)N(C)CCc2cccs2)CCCC1 449980014 HSQYYVRKIPCQQN-UHFFFAOYSA-N 277.433 3.886 30 20 CHED C=CCC[C@H](CO)N[C@@H](CC)c1ccc(OC(F)F)cc1 453371747 UUZZAXMTZJBWII-HIFRSBDPSA-N 299.361 3.656 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](c1ccccc1)C(F)F 455666384 ZZUYNFMFQUGJRP-KBPBESRZSA-N 294.345 3.743 30 20 CHED C=C(CC)CNC(=O)CCc1nc(C)c(-c2ccccc2)o1 456831229 SZXJPMMFLSAIMK-UHFFFAOYSA-N 298.386 3.665 30 20 CHED Cc1ccc(CN(C)C(=O)c2cccc(C#N)c2C)cc1C 456943593 CZJLQXQWFIOZRD-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CCc1c(C(=O)NCC(C)(C)CC#N)oc2ccccc12 458046992 WENYEIVMJKYUPZ-UHFFFAOYSA-N 284.359 3.665 30 20 CHED CN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@H]1CC1(C)C 458846160 QRAKUVCIVVEWTN-CVEARBPZSA-N 299.418 3.861 30 20 CHED C=CCCCC[C@H](C)NCC[C@@H]1C[C@H]2CC[C@H]1O2 459660180 DQTKFRSRVDSVGY-ZJIFWQFVSA-N 251.414 3.669 30 20 CHED CCC1(C(=O)N2CCc3ccc(C#N)cc32)CCCCC1 461032553 WYJQVTFQOWNGJS-UHFFFAOYSA-N 282.387 3.808 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1ccc(C#N)c(F)c1 464652147 YDQXVHFZZPORDC-OAHLLOKOSA-N 262.328 3.852 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H](C(C)C)CC1 466366435 HORCDCUUIYVPGB-CABCVRRESA-N 266.429 3.809 30 20 CHED C=C[C@@H](C)NC(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 466831402 LVLLPRSZQODXGC-OIKLOGQESA-N 296.773 3.599 30 20 CHED N#Cc1cc(N(C#N)CCCc2ccccc2)ccc1F 467774828 XSVDMLTWOUDOKO-UHFFFAOYSA-N 279.318 3.618 30 20 CHED COc1ccc(CCSc2cccc(C#N)c2)cc1 468628383 DXGPLPUUPGSYGE-UHFFFAOYSA-N 269.369 3.902 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc(C#N)ccc1C 473336162 WFXVPXZUTRDCMG-WCQYABFASA-N 273.380 3.813 30 20 CHED C=CCCC1(C(=O)Nc2cccc(OCC=C)c2)CC1 475114506 FVOXIRMWUKDMEX-UHFFFAOYSA-N 271.360 3.936 30 20 CHED C=CCOCCCSCCOc1cccc(C)c1 479587313 ODBQPUHNZCTVNQ-UHFFFAOYSA-N 266.406 3.700 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(CC#N)cc2)[C@@H]1C 482692437 SDNDUTHZUYUDCA-CPUCHLNUSA-N 284.403 3.555 30 20 CHED CCCC(C#N)(CCC)NC(=O)COC1CCC(C)CC1 483820315 LHKHSJVJWJSORR-UHFFFAOYSA-N 294.439 3.560 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)CCc1ccccc1F 488877178 NJJFDKYNUAMAJZ-GDBMZVCRSA-N 289.394 3.962 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(-c2ccccc2)cc1 497412938 XAVYUCDSYJSHKP-UHFFFAOYSA-N 292.382 3.975 30 20 CHED C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NCC(C)(C)C#N 502184200 DUQAXHNUTRDOIA-BBRMVZONSA-N 299.418 3.549 30 20 CHED C=C(C)CCc1noc(C2(c3ccccc3)CC2)n1 508646422 SJQPGBVAMFKCFI-UHFFFAOYSA-N 254.333 3.658 30 20 CHED C=CCSCCNC(=O)[C@@H](Cc1ccccc1)C(C)C 508904199 YYONZSLELOTWJK-INIZCTEOSA-N 291.460 3.537 30 20 CHED C=C(CNC(=O)N1CCC[C@H](C)[C@H]1C)c1ccccc1 512679401 YUEIUUHEABXZHI-DZGCQCFKSA-N 272.392 3.530 30 20 CHED CC(C)CN(C(=O)NCC(C)(C)CCC#N)C1CCCC1 513134766 BYKCFRWYPTWTMR-UHFFFAOYSA-N 293.455 3.927 30 20 CHED C=CCCCCCN(C)C(=O)NC1CC(C(F)(F)F)C1 513372021 MUCMSTQDQGQICC-UHFFFAOYSA-N 292.345 3.715 30 20 CHED C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 516391419 IWAHGKUHIDKCGU-ZQIUZPCESA-N 284.403 3.952 30 20 CHED C=CC[C@H](C)[C@@H](C)NCCc1ccc(F)c(F)c1 527042107 RYYOXDIPGIBMHF-NWDGAFQWSA-N 253.336 3.698 30 20 CHED C[C@@H]1c2ccccc2CCN1CCOc1ccc(C#N)cc1 530902115 JGRBGAUMAWMZOD-OAHLLOKOSA-N 292.382 3.556 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(CSC)c1)OCC 533710067 OZNILHIAIFSUFS-OAHLLOKOSA-N 293.432 3.859 30 20 CHED N#Cc1cccc(Oc2cccc(Oc3ccccn3)c2)n1 535890083 YUKRJCPTRMVTHR-UHFFFAOYSA-N 289.294 3.933 30 20 CHED C=C(C)[C@H](CC(=O)NCCCCC1CCCC1)OCC 535913183 GNBXGSXZDPAXQC-INIZCTEOSA-N 281.440 3.834 30 20 CHED CCOC(=O)c1cccc(N(CC)CCC(C)(C)C#N)c1 538464654 FHWQGSYTFVFFTQ-UHFFFAOYSA-N 288.391 3.629 30 20 CHED C[C@H](N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(C#N)cc1 539509337 YHVXCGNFANAREL-ZOCIIQOWSA-N 276.383 3.840 30 20 CHED C=C[C@@H]1CCCCN1c1ncc(Cl)cc1Cl 553231728 BBGGHJYEVWIWJL-SNVBAGLBSA-N 257.164 3.933 30 20 CHED N#Cc1ccnc(NCCCc2cccs2)c1Cl 553464513 DHWUPYKMKPASAH-UHFFFAOYSA-N 277.780 3.713 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H]2CCC2(C)C)c1 554428936 KOLXNZWZVHHPDU-HNNXBMFYSA-N 288.391 3.952 30 20 CHED CCc1ccc([N+](=O)[O-])cc1NCCCC(C)(C)C#N 555134389 FXOUTAAEUVNCPS-UHFFFAOYSA-N 275.352 3.899 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC[C@@H]1CCCC 556415973 KYWVDSSYVUVPFP-GJZGRUSLSA-N 264.413 3.729 30 20 CHED CC(C)(C)CCCC(=O)NC1(c2cccc(C#N)c2)CC1 560842946 TXLQPNNTRPXVNP-UHFFFAOYSA-N 284.403 3.880 30 20 CHED C=C[C@@H]1CCCCN1c1cccc(C(F)(F)F)n1 561326358 VCYLSMMTHIJOQY-SNVBAGLBSA-N 256.271 3.645 30 20 CHED CC[C@H](C#N)S[C@H]1CCCN(Cc2ccccc2)C1 565891896 HSIZRVTYCDTSFW-CVEARBPZSA-N 274.433 3.686 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)nc1 566569461 UHQYYCHMYCSVMC-QGZVFWFLSA-N 297.789 3.944 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)[C@@H](C)O 570202185 DFGDRAUFFURCJL-ZIAGYGMSSA-N 296.370 3.840 30 20 CHED N#CCCN(Cc1ccco1)C(=O)c1cccc(C2CC2)c1 570409857 SMDYSMDQQRIULE-UHFFFAOYSA-N 294.354 3.713 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2ccc(C#N)cn2)C1 570624751 ZZUBUBVPJWKVPI-WBVHZDCISA-N 291.398 3.640 30 20 CHED C=CCn1c(C)nnc1SC[C@H]1CCCC[C@@H]1C 570651235 SFGZSIZETMYVHM-WCQYABFASA-N 265.426 3.691 30 20 CHED CO[C@@H]1CCOc2c(NCC(C)(C)CCC#N)cccc21 570911457 QTVICAIIKCVBBM-OAHLLOKOSA-N 288.391 3.898 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(Cl)cc1 573366040 FOTKYHAUMLHDPN-XPKDYRNWSA-N 279.811 3.972 30 20 CHED Cn1nc(C2CC2)nc1CSCCCCC(C)(C)C#N 579108952 LNSFRHNUIOGDQV-UHFFFAOYSA-N 292.452 3.646 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC1(C)CCCCC1 580246994 XXNYBJQBHDFZQA-UHFFFAOYSA-N 285.391 3.959 30 20 CHED CC1(C)CCCN(Cc2cc(-c3ccccc3)on2)[C@@H]1C#N 582733932 OENMPGCABRIQER-QGZVFWFLSA-N 295.386 3.856 30 20 CHED CC(C)[C@H]1N(C(=O)NCC(C)(C)CC#N)CC12CCCC2 583857633 SQPSFONSMLQRCV-CQSZACIVSA-N 291.439 3.536 30 20 CHED CN(CCCc1ccccc1)C(=O)CCCCCC#N 588151109 YIQIPJHVUOAWGQ-UHFFFAOYSA-N 272.392 3.552 30 20 CHED C[C@H](CCCC(F)(F)F)NC(=O)CCCCCC#N 588165285 TVBPEXDAYZTPGH-LLVKDONJSA-N 278.318 3.698 30 20 CHED CCCCN(C)C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 589343978 DIDYSKNAMIOVCZ-BEFAXECRSA-N 299.462 3.646 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C2CCC2)C1 591063354 RFUFIWXXLHQSTH-GUYCJALGSA-N 254.377 3.741 30 20 CHED N#CCCC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 592517226 BPCIJBCRAXEXMZ-UHFFFAOYSA-N 285.366 3.823 30 20 CHED CC(C)N(CC1CCC1)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 594013538 VQXVVGLITZVFGY-HNNXBMFYSA-N 298.430 3.774 30 20 CHED CC[C@H](COc1cc(C#N)cc(OC)c1)CC(F)F 594895421 SSEMJOGAIVKDFA-JTQLQIEISA-N 269.291 3.627 30 20 CHED CC[C@@H](NCCc1ccc(C#N)cc1)c1nc(C)cs1 595430363 JKQKMHWFQAYSSC-OAHLLOKOSA-N 285.416 3.607 30 20 CHED COC[C@@H](C)Oc1ccc(CNc2ccccc2C#N)cc1 596026922 RZEMKWSMILQRKG-CQSZACIVSA-N 296.370 3.584 30 20 CHED C[C@@H]1CN(c2nc(C#N)c(Cl)s2)[C@H]2CCCC[C@H]12 596190626 UVLMQJMFBGREOJ-KKZNHRDASA-N 281.812 3.683 30 20 CHED N#CCC1(COc2cc(Cl)cc3cccnc23)CC1 596269430 BFDHDCVMLOQIGV-UHFFFAOYSA-N 272.735 3.961 30 20 CHED CO[C@H](C)c1nc(CSCC2(CC#N)CC2)cs1 596347157 KBXKDMMAROETCR-SNVBAGLBSA-N 282.434 3.778 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2c1nc(C(F)(F)F)ccc1C#N 596540515 GERHAYNWYWLBNB-CLYYMRHHSA-N 295.308 3.739 30 20 CHED C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1cccc(Cl)c1 597909174 HMQUFLYWHBHMQS-CHWSQXEVSA-N 290.794 3.596 30 20 CHED CC(C)[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)c2ccccc21 600414989 PPVUDNNYXHWCFW-RDJZCZTQSA-N 293.370 3.501 30 20 CHED N#Cc1ccccc1S[C@@H]1CCO[C@H](c2cccnc2)C1 600524111 COBKYOAYANMSQT-CVEARBPZSA-N 296.395 3.966 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H]1c1cccc(F)c1 602440210 OWXBKBUJUZRFDF-CZUORRHYSA-N 260.356 3.902 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 607601309 VKHPOIKOWZTSMV-MSOLQXFVSA-N 299.414 3.950 30 20 CHED CCC[C@H](C#N)NC(=O)c1oc2c(C)ccc(C)c2c1C 608815887 MZFIWDMEIJECEV-CYBMUJFWSA-N 284.359 3.780 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cc2occc2s1 610578003 XUBXVQXIARZQCL-UHFFFAOYSA-N 286.287 3.757 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1C(F)(F)F 610749038 ZJKVJUARLQNMPH-LBPRGKRZSA-N 294.276 3.706 30 20 CHED N#Cc1ccc(SCc2cccc3ccccc23)nn1 611240253 TVXKIBANQZRJEN-UHFFFAOYSA-N 277.352 3.794 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cnccc2C(F)(F)F)C1 617777116 ILVDXQHICMOTSF-LLVKDONJSA-N 298.308 3.529 30 20 CHED CCC[C@H](NCc1ccc(C#N)c(C)c1)c1ccccn1 618192315 IBEJKOMWVVQANL-KRWDZBQOSA-N 279.387 3.893 30 20 CHED C=CCC1(NC(=O)c2ccoc2CCC)CCCC1 619110427 KFLGJQJUPYHHPY-UHFFFAOYSA-N 261.365 3.851 30 20 CHED N#Cc1ccc(CN=c2[nH]c3ccccc3s2)cc1Cl 619746759 NFDIOLRUDWOKIA-UHFFFAOYSA-N 299.786 3.855 30 20 CHED C=CCCC(C)(C)NC(=O)c1coc2ccccc12 620858558 JJPQFCBAWYFMEI-UHFFFAOYSA-N 257.333 3.907 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2sc(C)cc2C)n1 633894548 MFNGENUCOJZDFH-JTQLQIEISA-N 276.386 3.620 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(OC)cc1F 640412264 OQQXRDGEDIZAOF-UHFFFAOYSA-N 280.343 3.701 30 20 CHED C=CCC1(NC(=O)NCCC[C@H]2CCCCO2)CCCC1 664665618 NMPFOOUJOIUWSZ-OAHLLOKOSA-N 294.439 3.524 30 20 CHED CS[C@@H]1CC[C@@H](N(C)CCCC(C)(C)C#N)C1 687820420 SCLPXVLQDYMNGO-CHWSQXEVSA-N 254.443 3.532 30 20 CHED C=CCCC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 726505317 XWOKFPKFXWMGGF-UHFFFAOYSA-N 282.387 3.840 30 20 CHED C=CCCOC(=O)CCc1cccc(Br)c1 729072790 WKPHTNWUSJQHHP-UHFFFAOYSA-N 283.165 3.501 30 20 CHED Cc1cccc2c1CCC2=NNc1ncccc1Cl 729142746 ZCPQMAZAOOTCIQ-UHFFFAOYSA-N 271.751 3.806 30 20 CHED CCN(C)c1ccccc1CNc1cccc(F)c1C#N 730108242 IVNCPIXQCAUPBK-UHFFFAOYSA-N 283.350 3.766 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NN=c2cc[nH]c3ccccc23)o1 730147766 JSHTXYXIQDVTPY-IUODEOHRSA-N 291.354 3.819 30 20 CHED CC(C)CCOC(=O)CCCCOc1cccc(C#N)c1 732399186 WYGRWLRCYVEPRQ-UHFFFAOYSA-N 289.375 3.697 30 20 CHED CC(=NNc1cccc(Br)c1)c1nccs1 732621880 JRKJPWHWBXAZDW-UHFFFAOYSA-N 296.193 3.742 30 20 CHED CC(=NNc1cnnc2ccccc12)c1ccc(F)cc1F 733750077 LPPYMBUFINRVBQ-UHFFFAOYSA-N 298.296 3.744 30 20 CHED C=CCNC(=S)N[C@@H](CCCCC)C(C)(C)C 734306555 AVDXTDXRSNIJHU-LBPRGKRZSA-N 256.459 3.632 30 20 CHED C=CCNC(=S)Nc1ccc(COC2CCCC2)cc1 739458476 URPXSFNPYIQERR-UHFFFAOYSA-N 290.432 3.618 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C[C@@H]1CCOC1 739525996 SMUDYUBBFFRLKO-CABCVRRESA-N 269.429 3.526 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1C[C@@]1(C)c1ccccc1 741465759 XYIFKFMIIFHANF-NNKNOWGASA-N 281.355 3.550 30 20 CHED C#CCOc1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1 741670146 AVJWVAISJZNBRG-CYBMUJFWSA-N 299.395 3.593 30 20 CHED C/C(=C/C(=O)[C@H](C#N)C(=O)Nc1cccc(C)c1)C(C)(C)C 744028374 HMXXXKHNMIXPGC-WVUXNXBLSA-N 298.386 3.635 30 20 CHED CC(=NN=C1CCCC[C@H]1c1ccccc1)c1cnccn1 745203116 DMFSRJASABMZIK-INIZCTEOSA-N 292.386 3.999 30 20 CHED Oc1cccc(C=NNc2cccc(Br)c2)c1 745987786 LWIOSUZLEYNJJD-UHFFFAOYSA-N 291.148 3.601 30 20 CHED C(CCCCOc1ccccc1)=NOCc1cccnc1 746589019 XTLSSSLKPZHJLE-UHFFFAOYSA-N 284.359 3.833 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1)c1ccc(O)cc1O 747694468 XXZJTXOZUFDEAM-HSFFGMMNSA-N 284.286 3.689 30 20 CHED O=[N+]([O-])c1ccc2[nH]cc(C=NNc3ccccc3)c2c1 747735839 LKPJERWYWXLCQJ-UHFFFAOYSA-N 280.287 3.522 30 20 CHED C#CCN(Cc1cccc(COC)c1)C1CCCCC1 749515834 XTKMPWFDJPKCIM-UHFFFAOYSA-N 271.404 3.601 30 20 CHED C[C@H](OC(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1 750245847 MHMGAFGNYFUBQQ-LBPRGKRZSA-N 283.302 3.544 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(Cl)cc1 751516991 OCPSRXWDYCTHKR-NSHDSACASA-N 252.745 3.554 30 20 CHED CCCCC[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)C(C)C 753165078 WTSRDYORXZXJIZ-WBVHZDCISA-N 278.440 3.991 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)OC(C)(C)C#N 753990409 MVMQTNQNRWFLFY-OLZOCXBDSA-N 271.360 3.821 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccc(C(F)(F)F)nn1 754709130 NJQQRIIDWLUMBO-VIFPVBQESA-N 286.301 3.719 30 20 CHED CC(CC1CCCC1)=NNc1ccc(C(F)(F)F)nn1 754709889 DXWIGVQIZGFUGS-UHFFFAOYSA-N 286.301 3.864 30 20 CHED CCCCCCCCNC(=O)NCc1cccc(O)c1 754866517 RJUTYLHCHNWWTL-UHFFFAOYSA-N 278.396 3.552 30 20 CHED Cc1nc[nH]c1C=NN=C1c2ccccc2-c2ccccc21 755612552 NFSIPXFQMYBTCG-UHFFFAOYSA-N 286.338 3.570 30 20 CHED CCCCCCOC(=O)c1c(F)cc(C#N)cc1F 756239170 GZUMWWSDCHXUMU-UHFFFAOYSA-N 267.275 3.574 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(C)c(C)c1)OCC 756485367 COQZLJBPLGJUFT-HNNXBMFYSA-N 262.349 3.580 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1O 756628032 UQKGWIAKZKNEAQ-NEPJUHHUSA-N 284.334 3.815 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 757471429 FCKOTPSACUDUCW-BJMVGYQFSA-N 298.338 3.783 30 20 CHED CC(C)(C)c1ccc(CC(=O)[C@H](C#N)c2ccccn2)cc1 762997699 XXRASCDIGOAWIR-MRXNPFEDSA-N 292.382 3.798 30 20 CHED C=CCCCCNC(=S)Nc1cccc(Cl)c1 769761324 XHFBASJPJASDIG-UHFFFAOYSA-N 268.813 3.983 30 20 CHED CC(=NNC[C@@H](C)C#N)[C@H](C)c1nc2ccccc2s1 771099364 PQTSOOUSDXIDMX-QWRGUYRKSA-N 286.404 3.525 30 20 CHED CCC(=NNc1ncccc1Cl)c1ccc(C#N)cc1 773056191 UYAXLSYXYJWIHO-UHFFFAOYSA-N 284.750 3.833 30 20 CHED CC(CSC(C)(C)C)=NNc1nccnc1C(C)C 773086247 PETJTFMTBPRXAS-UHFFFAOYSA-N 280.441 3.920 30 20 CHED C#CCCCCC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 773310952 YGBIMLRONGDIMK-OLZOCXBDSA-N 289.341 3.665 30 20 CHED CC(CCCC(F)(F)F)=NNc1ccnc(F)c1 774411022 SHXRAPWCXQQJKF-UHFFFAOYSA-N 263.238 3.741 30 20 CHED CC(C)CC(=NOC1CCOCC1)c1ccccc1 774466333 ABPSRQSDCXSUGZ-UHFFFAOYSA-N 261.365 3.632 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)CCC=C)cc1 774579299 IWJPNUUFRDUFCV-UHFFFAOYSA-N 287.359 3.601 30 20 CHED C=CCOc1cccnc1C(=O)N(C)c1ccc(C)c(C)c1 775143347 CPFDDVYHWFRPLU-UHFFFAOYSA-N 296.370 3.540 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CC[C@@](C)(O)C1 775539454 MFAQEFDCDGZRPW-NVXWUHKLSA-N 283.456 3.747 30 20 CHED C[C@@H](C[C@@H]1CCOC1)Nc1cccc(OCCCC#N)c1 776842094 TXHWSRIXZWSDAV-GJZGRUSLSA-N 288.391 3.596 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NOCCC(F)(F)F)o1 777460656 QLJPBWGRSCZQEC-WCBMZHEXSA-N 261.243 3.706 30 20 CHED CCSCCON=Cc1ccccc1C(F)(F)F 778019071 HVFSSKGXYZEELS-UHFFFAOYSA-N 277.311 3.809 30 20 CHED C#CCCCCCC(=O)N1c2ccccc2CC[C@@H]1C 779742488 PLBXHOOHZBQSNG-HNNXBMFYSA-N 269.388 3.938 30 20 CHED CC[C@H](C#N)OC(=O)c1cc2cccc(Cl)c2o1 781191636 DMSYYMUNFMXMKK-SECBINFHSA-N 263.680 3.545 30 20 CHED CC1(C)CCC/C(=C\c2cc(C(=O)O)cs2)C1=O 782208339 YCHJIJMAPBIPPU-RMKNXTFCSA-N 264.346 3.609 30 20 CHED Cc1ccccc1[C@@H](C)OC(=O)c1ccccc1CC#N 782603835 HUNGREFBGYPMHD-CQSZACIVSA-N 279.339 3.979 30 20 CHED CCCCCCCC(=O)O[C@@H](C)c1nnc(C)s1 782985049 FVHVXVLNHSTWPC-JTQLQIEISA-N 270.398 3.811 30 20 CHED N#CC1(COC(=O)c2ncsc2-c2ccccc2)CCC1 783135996 FLNAKJGNGKPDPZ-UHFFFAOYSA-N 298.367 3.661 30 20 CHED CCn1cc(C(=O)/C=C/c2cc(C)c3ncccc3c2)cn1 783707754 KSLGXUJQDMMXJK-VOTSOKGWSA-N 291.354 3.656 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C[C@@H]2CCCC[C@H]2C)o1 783838368 ZAJQUNQYYYKORQ-OLZOCXBDSA-N 288.395 3.969 30 20 CHED C#CC[C@H](NC(=O)N1CCCC[C@H]1C=C)c1ccccc1 787296460 MPAMVRIHKXLPFS-SJORKVTESA-N 282.387 3.501 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(C)cnc1Cl 787976574 JQAWTZFKOQROLR-UHFFFAOYSA-N 296.798 3.745 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cc2ccccc2[nH]1 788440172 FSAJGZZASOHLCK-OAHLLOKOSA-N 255.365 3.670 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@H](O)C[C@H]1C 788543263 SDVPKJPVNRNXHF-ARFHVFGLSA-N 283.456 3.745 30 20 CHED Cc1cc(C)cc(C=NNc2ccc3c(=O)[nH]ccc3c2)c1 789064513 ZJASYRUWWKMUJE-UHFFFAOYSA-N 291.354 3.591 30 20 CHED CC(=NNCCc1ccncc1)c1ccc2ccccc2c1 789092981 APMHQIZXGLGJTP-UHFFFAOYSA-N 289.382 3.791 30 20 CHED COC1(C=NNc2ccc3ccccc3n2)CCCC1 790142737 FMUARIIYOLFDSQ-UHFFFAOYSA-N 269.348 3.592 30 20 CHED Cc1cccnc1NN=C1CCC[C@@H](C(F)(F)F)C1 790185904 KUGUZZUJQSMGJL-SNVBAGLBSA-N 271.286 3.910 30 20 CHED CC(C)=CCC[C@H](C)CC=NNc1nc2ccccn2n1 790195744 NROLPFPULNKDCT-AWEZNQCLSA-N 285.395 3.900 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccnc(O)c1 791434147 VRJLAUJJKKHSGA-RQOWECAXSA-N 294.137 3.990 30 20 CHED C=CCN(C[C@@H](O)Cc1ccc2ccccc2c1)C(C)C 791450393 YBBJEZGLTBIZON-IBGZPJMESA-N 283.415 3.640 30 20 CHED CC(C)C1CCC(C=NNCCc2ccccn2)CC1 794938545 QFQIOLRXTOXBNH-UHFFFAOYSA-N 273.424 3.662 30 20 CHED CC(C)n1nccc1/C=C1/CCc2cc(C#N)ccc2C1=O 794941632 SURDJNCPOXHCJI-GDNBJRDFSA-N 291.354 3.548 30 20 CHED CCCCCCCN1C[C@H](N2CCCC2)C[C@H]1C 796429075 NERWOHTYOABASV-HZPDHXFCSA-N 252.446 3.515 30 20 CHED CC(C)[C@@H](C#N)OC(=O)[C@H](C)Oc1ccc2ccccc2c1 796676796 WRNQQWHJYXAEID-SUMWQHHRSA-N 297.354 3.698 30 20 CHED CC[C@H](NCC1(CC#N)CC1)c1cc(Cl)ccc1O 797587389 URDSROJCLFKLSM-ZDUSSCGKSA-N 278.783 3.780 30 20 CHED CC(=NNCc1cccc(Cl)c1Cl)c1cnoc1C 799485912 PKBATAPYPTYEEN-UHFFFAOYSA-N 298.173 3.804 30 20 CHED C=CCCOC(=O)CC(C)(C)CC(=O)c1ccccc1 799568851 XTDHQAOTAYOPHD-UHFFFAOYSA-N 274.360 3.795 30 20 CHED CCCC(CCC)C(=O)OCCCC1(C#N)CCOCC1 800188385 CDVLEGWWMVGHEL-UHFFFAOYSA-N 295.423 3.847 30 20 CHED C=CCC[C@H](NC[C@H](O)c1cc(C)cc(C)c1)C1CC1 800993177 WGQZIAQBLJDYJD-ROUUACIJSA-N 273.420 3.671 30 20 CHED CC[C@@](C)(C#N)C(=O)OCC1CCC(C(F)(F)F)CC1 803782028 IFHWSKUOQNYBIK-XIVSLSHWSA-N 291.313 3.838 30 20 CHED C=CCCCCCCNC(=O)c1nc2cccnc2s1 805218762 LSGZSOGJOOWAQP-UHFFFAOYSA-N 289.404 3.558 30 20 CHED C=CCCCCCCNC(=O)NCC1(SC)CCC1 805387975 FFLXMXZOGFPPRM-UHFFFAOYSA-N 284.469 3.708 30 20 CHED N#CCCCCCC(=O)OCC1CCCCCC1 805697934 LGCPFZKDTHXVJL-UHFFFAOYSA-N 251.370 3.974 30 20 CHED N#Cc1nc(F)ccc1OCCc1ccc2ccccc2c1 808046296 METRXDOUSYGLSF-UHFFFAOYSA-N 292.313 3.867 30 20 CHED C#Cc1ccc(CN[C@H]2CCSc3ccccc32)cc1 809602335 MOFBDCQJDJPEDP-KRWDZBQOSA-N 279.408 3.995 30 20 CHED C#CCC1(OC(=O)Cc2c(C)[nH]c3ccccc23)CCC1 810749701 QFKYFPTXPOTLRA-UHFFFAOYSA-N 281.355 3.508 30 20 CHED CC(=NOC/C=C/Cl)c1nc2ccc(Cl)cc2n1C 811672227 TZXXMTWFTMOHCB-HRSYEVPKSA-N 298.173 3.720 30 20 CHED N#CCCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 812823609 GYHASLFBGVNMEB-UHFFFAOYSA-N 290.322 3.825 30 20 CHED Cc1ccc(C)c(NN=Cc2nc3c(s2)CCC3)c1 814753051 DVJWTRSYCJXVMC-UHFFFAOYSA-N 271.389 3.695 30 20 CHED COc1ccc(CCNN=C2CCC[C@@H]2C(C)(C)C#N)cc1 814855551 PKLPVAIBLLMFSC-INIZCTEOSA-N 299.418 3.533 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cc(N)ccc1F 814885129 NZVAXDFJZIFHQV-UHFFFAOYSA-N 275.302 3.692 30 20 CHED COc1ccccc1CON=Cc1cccc2cc[nH]c12 814922553 NDZAIJSDNKCMKO-UHFFFAOYSA-N 280.327 3.727 30 20 CHED C[C@@H](C(=O)OCc1ccccc1C(C)(C)C#N)C(C)(F)F 815487484 HETSJDYSBODCPP-NSHDSACASA-N 295.329 3.822 30 20 CHED C=CCC(F)(F)C(=O)NCC[C@H]1CCCC[C@@H]1C 815616476 PMYMKJARHIHBQT-NWDGAFQWSA-N 259.340 3.530 30 20 CHED CCCCCCCCCCC(=O)N[C@H]1CC12CCNCC2 818603997 XECLVZBMCDKAHH-INIZCTEOSA-N 294.483 3.776 30 20 CHED Cc1cccc2c(C(=O)OCCC(C)(C)C#N)coc12 820858449 ZFMKDNJGUVHMOD-UHFFFAOYSA-N 271.316 3.838 30 20 CHED CC[C@H](C)CCNC(=O)Nc1ccccc1O[C@@H](C)C#N 822452471 ZGZHVEHJUBAOJG-STQMWFEESA-N 289.379 3.535 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(OC)cc(OC)c1Cl 822642585 JRJFTCZXXBZGOS-SNVBAGLBSA-N 297.782 3.898 30 20 CHED C=C(C)CN(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 824114189 QZUHHYVAFXFMLI-LSDHHAIUSA-N 296.455 3.530 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2ccc(C(=O)O)[nH]2)cc1 827117611 DYOBQOZNFIWMFR-LBPRGKRZSA-N 299.374 3.521 30 20 CHED C[C@@]1(CC(=O)OCC2(C#N)CCCC2)CC1(Cl)Cl 835282929 NCTVWJKMOHGLID-LLVKDONJSA-N 290.190 3.588 30 20 CHED C=C(CC)COC(=O)C1(Cc2ccccc2)CCOCC1 835660378 DUNGFYNCXPCFOF-UHFFFAOYSA-N 288.387 3.535 30 20 CHED C=CC(C)(C)COC(=O)c1ncoc1-c1ccccc1 835724459 KSPXWPDRGFLNIB-UHFFFAOYSA-N 271.316 3.711 30 20 CHED C=CCCCCCOC(=O)C1(CC)CCC(O)CC1 837719690 LEEKDUHMGSKDKL-UHFFFAOYSA-N 268.397 3.607 30 20 CHED C=CCN(C(=O)NCC[C@]1(C)CC1(Cl)Cl)C(C)C 838680932 GGUTWNAISWJION-GFCCVEGCSA-N 293.238 3.566 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc3ccccc3o2)C1 839041068 CNRLOOMNNBSDOZ-WCQYABFASA-N 269.300 3.672 30 20 CHED C#CCC[C@@H](C)OC(=O)/C=C/c1cnc(C(C)(C)C)s1 839042298 ZZKCNYMKBZDOTD-BZYZDCJZSA-N 291.416 3.799 30 20 CHED Cc1ccc2nc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)ccc2c1 839061698 GIORUNWCUUFDQA-DZGCQCFKSA-N 294.354 3.782 30 20 CHED Cc1ccc2nc(C(=O)O[C@H]3CCC[C@H](C#N)C3)ccc2c1 839061701 GIORUNWCUUFDQA-ZFWWWQNUSA-N 294.354 3.782 30 20 CHED COc1ccc(C)cc1C(C)=NOCc1ccccc1 839422080 UZEXRWRAKLTVNS-UHFFFAOYSA-N 269.344 3.944 30 20 CHED N#Cc1cnc(Nc2cccc(N3CCCCC3)c2)c(F)c1 840248568 IIUSTMSKFMJIKL-UHFFFAOYSA-N 296.349 3.826 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cc(C)nc(Cl)c1 840478030 OXPXPMKHIIJUQW-AWEZNQCLSA-N 267.756 3.689 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@H](C)CC(F)(F)F)cc1 840873048 PSYOEZDXQPQROU-OLZOCXBDSA-N 299.336 3.938 30 20 CHED CCC(=NNc1nncc2ccccc12)[C@H]1CC1(C)C 841604158 QIPGSOHQMVPLTP-CYBMUJFWSA-N 268.364 3.854 30 20 CHED Fc1cc(NN=C2CCC[C@@H]3C[C@H]23)cc(F)c1F 841628061 LEOHNODAVMEGFZ-APPZFPTMSA-N 254.255 3.692 30 20 CHED CCC(=NNc1nccnc1C1CCC1)[C@H]1C[C@H]1C 841638494 USORVOQYJNXLRN-PWSUYJOCSA-N 258.369 3.578 30 20 CHED C#CC1CCN(C(=O)/C(C)=C\c2ccccc2Cl)CC1 843704988 NCBMBLJNVWRCOE-SEYXRHQNSA-N 287.790 3.615 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1C(C)C 847024458 FYIRIHJXZMOHFH-PBHICJAKSA-N 287.403 3.521 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)[C@H]1CCCC[C@@H]1C 848413925 FNCQGHMBFSHNKA-LRDDRELGSA-N 288.391 3.928 30 20 CHED CCOc1ccccc1C=NOCc1ccc(F)cc1 849779867 MRNBIAZLPBXQRE-UHFFFAOYSA-N 273.307 3.775 30 20 CHED Cn1ccc(C(=O)OCC2(C#N)CCC2)c1-c1ccccc1 849970455 QHPBTBNGASOHCB-UHFFFAOYSA-N 294.354 3.543 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@](C)(O)c1cccs1 850435688 CXJWORXUWXTXLT-FMKPAKJESA-N 279.449 3.680 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCc1ccccc1F 851213999 MTHNRWQPTWIHMI-LBPRGKRZSA-N 277.339 3.630 30 20 CHED C[C@@H](O)CN(C)N=C1CCCC[C@H]1c1ccccc1Cl 853356560 HTOGGEHHTRBYFI-OCCSQVGLSA-N 294.826 3.666 30 20 CHED C#CCCCOc1cccnc1NCC(C)(C)CCC#N 853628108 NDQWMHMNWGISFN-UHFFFAOYSA-N 285.391 3.616 30 20 CHED Fc1ccc(SCCON=C2CCC2)c(F)c1 853669233 FSXITHLJTKPCBO-UHFFFAOYSA-N 257.305 3.613 30 20 CHED C/C(=C\C(=O)O[C@@H](C)C(C)(C)C#N)c1cccs1 857014068 AKLPWCAWEHDFRW-UQSGXBNBSA-N 263.362 3.633 30 20 CHED C[C@@]1(C(=O)OCc2ccc(F)c(C#N)c2)C[C@H]2CC[C@H]1C2 860190112 OZQRPTIIWRJVJY-PZSREKOKSA-N 287.334 3.567 30 20 CHED CCCCCCCNC(=O)c1cnc([C@@H]2CCCO2)s1 862358195 XQXRREFSLFILNE-LBPRGKRZSA-N 296.436 3.695 30 20 CHED Cc1ccc([C@@H](C)C=NNc2ncccc2C)cc1 863107690 YJMLFXLIKGDAML-AWEZNQCLSA-N 253.349 3.900 30 20 CHED CC(C)n1cc(/C=C2/CCc3c(F)cccc3C2=O)cn1 865227427 PXGSAYGTBGFAID-JYRVWZFOSA-N 284.334 3.816 30 20 CHED C#CC[C@H](N[C@@H]1CCCc2ncccc21)c1ccccc1 866312598 OUAWDVFBTSYQJC-PKOBYXMFSA-N 276.383 3.813 30 20 CHED N#Cc1cc(Cl)ccc1SCOCC(F)(F)F 871657697 JAQRYJQMAZCPBK-UHFFFAOYSA-N 281.686 3.840 30 20 CHED CCCCN(CC)CC[C@@](C#N)(C(C)=O)c1ccccc1 877908176 QGDKHAFTLGJWII-GOSISDBHSA-N 286.419 3.549 30 20 CHED C[C@@H](CC#N)NCc1cccc(SC(F)(F)F)c1 878820643 OAARHLRDWCVSFZ-VIFPVBQESA-N 274.311 3.690 30 20 CHED C=C1CCC(C(=O)Nc2cccc(NC(C)=O)c2C)CC1 887931251 OCBLVIBWSRZKTR-UHFFFAOYSA-N 286.375 3.638 30 20 CHED C=C1CCC(C(=O)N(C)c2c(F)cccc2F)CC1 888361678 DDKAXSCSMRYNEE-UHFFFAOYSA-N 265.303 3.674 30 20 CHED C=C1CCC(C(=O)N2CCC3(CCCCC3)C2)CC1 889229745 GEWWEYBWPYJQNW-UHFFFAOYSA-N 261.409 3.916 30 20 CHED Cc1nc2ccccc2c(N2CCC[C@@H](C#N)C2)c1C 895651121 UHSYERLICPSLHM-AWEZNQCLSA-N 265.360 3.592 30 20 CHED N#Cc1cnc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)s1 896493661 UBCXOZVRFFCTCA-ZIAGYGMSSA-N 297.383 3.537 30 20 CHED c1nc(NN=C2CC3(CCCC3)C2)c2sccc2n1 901206438 FRJDVRIZPYHPHE-UHFFFAOYSA-N 272.377 3.813 30 20 CHED C/C(=C(/F)C(=O)Nc1ccccc1O[C@H](C)C#N)C1CC1 907261050 CLZTZPISCCQJNQ-BXSDCGNMSA-N 288.322 3.569 30 20 CHED Oc1cccc(C=NNc2cccc(C(F)(F)F)c2)c1O 916259939 KIHDVKRPDFGHOZ-UHFFFAOYSA-N 296.248 3.563 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2)cc1OC 916268121 KSMBFWQKDIOXOW-UHFFFAOYSA-N 288.322 3.679 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cnn(C)c1 920828591 CVOPEANJLGJZEX-CYBMUJFWSA-N 284.407 3.618 30 20 CHED COc1ccc(O)c(/C=N\CCc2ccc(C)cc2C)c1 920864471 WSZMYZYTEHSRCI-UNOMPAQXSA-N 283.371 3.679 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1[C@@H](C)c1ccccc1 928388738 YTGJSCCDAXDBFM-ZFWWWQNUSA-N 293.357 3.993 30 20 CHED CC(C)(C)c1ccccc1NC(=O)N1CCC[C@H](C#N)C1 929192058 SLIKAWKACFZXDX-CYBMUJFWSA-N 285.391 3.752 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@H]1C1CCCC1 930395735 JLTPVNIMMIZIGA-KRWDZBQOSA-N 282.387 3.662 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C(F)F)cc1 933091242 VOLCEXNFQIHJFU-UHFFFAOYSA-N 254.280 3.664 30 20 CHED C[C@@H](OC(=O)CC#Cc1ccccc1)c1cccc(F)c1 1116274591 LAQMHOONJOGCHY-CQSZACIVSA-N 282.314 3.872 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1CCc2c(Cl)cccc21 1117797198 JUTRZMQNUXTALG-ZDUSSCGKSA-N 277.795 3.698 30 20 CHED CCSc1cccc(NC(=O)Nc2ccnc(C#N)c2)c1 1208085592 QGFJXFYEAXMNMV-UHFFFAOYSA-N 298.371 3.709 30 20 CHED CC1(C)C(c2nnc(-c3ccc(C#N)cc3)o2)C1(C)C 1257872007 BPEKCARCINNNCH-UHFFFAOYSA-N 267.332 3.758 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CCC(C)(C)C2)c1 1275796917 MGNVMDIQFYDOLB-ZDUSSCGKSA-N 256.349 3.632 30 20 CHED Cc1ccc([C@@H](C)N(C)c2cc(C)c(C#N)cn2)cc1 1306935006 UUAMILUWJBEVML-CQSZACIVSA-N 265.360 3.768 30 20 CHED CC[C@@H](CN(CC)Cc1cccc(C#N)n1)c1ccccc1 1308704071 IMCREGFJGNJKAO-INIZCTEOSA-N 293.414 3.969 30 20 CHED C(=NNC1CCOCC1)c1ccc(-c2ccccc2)s1 1319076152 DWXUAIBSUHHDAU-UHFFFAOYSA-N 286.400 3.518 30 20 CHED Cc1ccc(C=NNc2ccc(C)c(Cl)c2)cn1 1320251876 XGMUDPLGDNKLIU-UHFFFAOYSA-N 259.740 3.798 30 20 CHED Cc1ccncc1[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 1326056285 SZDJKBSQDWSATO-LSJNQWAISA-N 291.398 3.665 30 20 CHED CC[C@@H](CCc1ccccc1)Nc1cccc(CC#N)n1 1329752600 FAPSGDYDLAKAPH-INIZCTEOSA-N 279.387 3.971 30 20 CHED C=CCC[C@@H]1CCCN1c1ncnc2c1cnn2C(C)(C)C 1336769353 ZBKCHWVYMJHITG-CYBMUJFWSA-N 299.422 3.516 30 20 CHED CN(Cc1cc(F)cc(F)c1)CC(C)(C)CCC#N 1339289356 YZDASSGPKBLOFR-UHFFFAOYSA-N 266.335 3.727 30 20 CHED C#CC[C@@H](C)OC(=O)c1sc(C)nc1-c1ccccc1 1342562401 ODXPAJMEIRHWAR-LLVKDONJSA-N 285.368 3.687 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)CCc1cccc(F)c1 1349906917 NHGIZMGHICWPNQ-CZUORRHYSA-N 290.382 3.545 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 1464239320 KVYDWZHZOUWYEZ-ZDUSSCGKSA-N 278.440 3.847 30 20 CHED Cc1ccc(C#N)c(N2CC3(CCC3)c3c(F)cccc32)n1 1472685495 KDKXHSJFORKOAX-UHFFFAOYSA-N 293.345 3.974 30 20 CHED Cc1ccc(C[C@H]2CCCN2c2cc(C)c(C#N)cn2)cc1 1472694421 RYDUKPKWNLNLOY-GOSISDBHSA-N 291.398 3.782 30 20 CHED N#Cc1ccc(C(=O)Nc2ncc(Cl)cc2Cl)s1 1523864567 BTDMAEUYCGVJFB-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CCSc1ccccc1CC(=O)O[C@@H]1CC[C@H](C#N)C1 1525006837 RZSQEUQSFSRAGO-GXTWGEPZSA-N 289.400 3.577 30 20 CHED C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1ccsc1 1539903210 IXTOKVBVFPHGPV-WFASDCNBSA-N 284.384 3.623 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H](C)Cc1cccs1 1543491860 VUDPFWAQZOXWAQ-LBPRGKRZSA-N 298.411 3.631 30 20 CHED N#Cc1ccc(CCSc2ccccc2C#N)cc1 1559373344 HDZQOTJRAJVKIS-UHFFFAOYSA-N 264.353 3.765 30 20 CHED CC(C)(C)CN(CCC(C)(C)C#N)CC(=O)OC(C)(C)C 1560021104 YCGXIHWICKDMKP-UHFFFAOYSA-N 296.455 3.616 30 20 CHED CCCCCCCC(=O)OCc1nc(C)c(C(=O)O)s1 1605267083 PKZCPAHILBUDGX-UHFFFAOYSA-N 299.392 3.553 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)n1 1612432731 PUOXUPLLBOLPPT-DARAHFNDSA-N 295.430 3.733 30 20 CHED CC1(C)CCC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 1625379884 TZMMOUQJVBZGFY-NSHDSACASA-N 292.329 3.535 30 20 CHED C=C(Br)CN1CCC[C@H](CC(C)C)C1 1642267901 AWCUQIIKPZUHGH-GFCCVEGCSA-N 260.219 3.653 30 20 CHED C/C(=C/c1ccccc1)CNc1n[nH]c(C2CC2)c1C#N 1651191138 LELWLXPPRSCCAA-XFXZXTDPSA-N 278.359 3.674 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC/C=C\c1cccc(F)c1 1656187082 YNHKJPBHBKNRJV-GHMGLMHVSA-N 292.357 3.988 30 20 CHED Cc1cc(CN2CCCC(C)(C)CC2)ccc1C#N 1657359718 ZMRCTSXXCIEJJI-UHFFFAOYSA-N 256.393 3.879 30 20 CHED CCC[C@H]1[C@H](C)CCCN1Cc1cc(C#N)ccc1OC 1657639181 MYRWXIYBHMZYBF-PBHICJAKSA-N 286.419 3.967 30 20 CHED C[C@H]1Cc2cc(CN(C)Cc3cccc(C#N)c3)ccc2O1 1658654420 XPGHEDHTTJRRMA-AWEZNQCLSA-N 292.382 3.514 30 20 CHED COCCN(Cc1ccc(C)c(C)c1)C[C@@H](C)CCC#N 1658918756 WMLFYODCTUFKLK-HNNXBMFYSA-N 288.435 3.692 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1sccc1C#N 1663159301 HVCZTIABOBURTE-ZYHUDNBSSA-N 291.420 3.956 30 20 CHED C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C#N)c(F)cc1F 1680083732 UFHFNPWSPOZZMH-TVQRCGJNSA-N 293.317 3.537 30 20 CHED O=C(O)c1cc(C=NNc2ccccc2Cl)cs1 1776014949 QTYZFUQLZLVPOQ-UHFFFAOYSA-N 280.736 3.546 30 20 CHED CC[C@@H]1CCCCC1=NNc1ccc(C(=O)O)c(F)c1 1776074512 FGTQOGLLVGYSTF-SNVBAGLBSA-N 278.327 3.892 30 20 CHED Cc1cccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 56212394 GGDYGVGXTYRKFE-UHFFFAOYSA-N 294.354 3.906 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)c2ccccc2)c1 308126463 DHLZBLPIRKDVFI-ZDUSSCGKSA-N 264.328 3.609 30 20 CHED C[C@H](NC(=O)c1cccc(C#N)c1)c1cc2ccccc2o1 8238831 AQVKRKQXCZMDFK-LBPRGKRZSA-N 290.322 3.795 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)SCCCC)c1 103029975 DNCFVFAFVYAOKH-CYBMUJFWSA-N 275.417 3.553 30 20 CHED CC[C@@H](C)[C@@H](C)Nc1ncc(Br)cc1C#N 309259033 CWTIQBUKKMINGR-RKDXNWHRSA-N 282.185 3.562 30 20 CHED CCC(C)(C)C1CCC(NC(=O)NCCCCC#N)CC1 170886998 ZAGUXDPXYQNJHG-UHFFFAOYSA-N 293.455 3.974 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 103031823 WIIXQYRHNRQVQG-QZTJIDSGSA-N 293.341 3.574 30 20 CHED C=CCCC(=O)NC[C@@H](C)CSc1ccccc1OC 103421594 SDCXBJLLMPNWBQ-CYBMUJFWSA-N 293.432 3.506 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2nc(-c3ccccc3)c[nH]2)c1 171909811 IGCTVJZOMGUYBR-MDZDMXLPSA-N 299.333 3.844 30 20 CHED CC(C)=CC(=O)Nc1ccccc1SC[C@@H](C)C#N 108240882 KHQDKCAKKMUNGO-LBPRGKRZSA-N 274.389 3.843 30 20 CHED C#CCOc1ccc(CNCc2ccccc2Cl)cc1 113311199 MAABHTVYPJCGRF-UHFFFAOYSA-N 285.774 3.642 30 20 CHED CC[C@@H](C#N)OC(=O)CCCOc1cccc2ccccc12 175996126 MDZMXYRXEGUOCZ-HNNXBMFYSA-N 297.354 3.844 30 20 CHED CC/C=C(\C)C(=O)Nc1cc(C#N)ccc1NCCC 173041233 UGBWBJUYBXJDDK-WUXMJOGZSA-N 271.364 3.675 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(F)c(C#N)c1 468271855 QRMCJDYKKNAASE-HACGYAERSA-N 272.367 3.850 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@@H](C)c1ccc(C#N)cc1 26130969 WHNZTQAUOAGXOZ-DZGCQCFKSA-N 272.392 3.952 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(-c2ccc(C)o2)s1 183855326 BKIIYFSSSMWDOB-LLVKDONJSA-N 288.372 3.739 30 20 CHED Cc1cc(C#N)ccc1CSCCOCC(F)(F)F 186086648 MKHHYFZIQWKNKM-UHFFFAOYSA-N 289.322 3.679 30 20 CHED Cc1cc(CCCC(=O)N[C@](C)(C#N)C(C)C)c(C)s1 177632014 SDAHZYBDVVGHGP-MRXNPFEDSA-N 292.448 3.742 30 20 CHED Cc1cc(C)cc([C@@H](C)Nc2ccc(C#N)cn2)c1 301214081 YUOIIYWSSLBVPM-CYBMUJFWSA-N 251.333 3.743 30 20 CHED COc1cccc(/C=C2/Cc3ccc(C)cc3C2=O)c1 303325904 VIJYEKMRHOQNSA-DHDCSXOGSA-N 264.324 3.826 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)CCCc2c[nH]c3ccccc23)C1 178791846 ANKYWPPQAUZCHL-HIFRSBDPSA-N 296.370 3.726 30 20 CHED CCCC1CCN(Cc2ccc(F)c(C#N)c2)CC1 229751274 WTINTIQQGFKXQU-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CN(Cc1ccccc1F)C(=O)Nc1ccc(CC#N)cc1 76085274 IRMGEJIMRIFUEM-UHFFFAOYSA-N 297.333 3.556 30 20 CHED C=CCC[C@@H](C(=O)NCCC1CC1)c1ccccc1 188299006 YKUYXGNICMYWIU-MRXNPFEDSA-N 257.377 3.653 30 20 CHED CC[C@H](CC#N)NCc1ncc(-c2ccccc2)s1 184094135 WDUOSNZBGCZEDD-CYBMUJFWSA-N 271.389 3.592 30 20 CHED CCCCO[C@@H]1C[C@@H](N(C)CCCCC#N)C1(C)C 177736973 BSXXBDHKAGBPCM-HUUCEWRRSA-N 266.429 3.596 30 20 CHED C#CCCCN[C@@H](C)c1cc(C)ccc1OC(F)F 178054720 OEBMAZGKEGLIOU-LBPRGKRZSA-N 267.319 3.660 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)c(F)c(C)c2)c1 121345409 SYEUNUKYTBNCQM-UHFFFAOYSA-N 281.330 3.700 30 20 CHED C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1cccc(F)c1 174252051 DVIABQPAQOAGDZ-KBPBESRZSA-N 298.361 3.815 30 20 CHED C=CCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 173949037 PRVMEUWUXTVXDO-GOEBONIOSA-N 257.377 3.605 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(F)cc1C(F)(F)F 181691514 WWVULEKKYOCNJD-UHFFFAOYSA-N 290.260 3.884 30 20 CHED CC(C)[C@@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 303589691 RNQBQECWLIEFMS-CQSZACIVSA-N 287.363 3.729 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2ccc(C)s2)c1 35679278 RFWGFLMKERETJP-FPLPWBNLSA-N 288.368 3.970 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)c1cccc(F)c1 121689772 ADDKHOPDACMYIE-ZDUSSCGKSA-N 290.382 3.908 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1cccc(F)c1C#N 189405294 PSIVQTLJCYJPJI-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2cc(C#N)ccc2C)cc1 181143246 XPDYLMHNTPGDBY-HNNXBMFYSA-N 292.382 3.992 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nc(CCC)cs1 180640301 CQRGACGBHPPSKU-UHFFFAOYSA-N 267.398 3.526 30 20 CHED CCc1sc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1C 434022005 OKUFXTXIEJWSCX-AWEZNQCLSA-N 290.432 3.773 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)[C@H](C)C[C@H](C)C2 411012589 NKKJYCPUJKWDAQ-DTWKUNHWSA-N 262.378 3.654 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 78256627 ZTGSYEYBRASZML-CJNGLKHVSA-N 270.376 3.710 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2c(C)cc(C)cc2[nH]1 410129201 XZLGVTRGZMMRSG-ZDUSSCGKSA-N 270.376 3.869 30 20 CHED CC#CCCCC(=O)N1c2ccccc2CC[C@H]1C 184999674 VVVJFNVGFLVEHZ-CQSZACIVSA-N 255.361 3.548 30 20 CHED CC#CCCCC(=O)N1C[C@H](C(C)C)Nc2ccccc21 186430976 UNLUWKZDYOXCMG-MRXNPFEDSA-N 284.403 3.663 30 20 CHED CN(Cc1cc(C#N)ccc1F)C[C@@H]1C[C@@H]1c1ccccc1 505264130 ALABKICUUUHCPE-FUHWJXTLSA-N 294.373 3.933 30 20 CHED C=CCCSc1nnc(C)n1-c1ccccc1C 128546261 KOUSEDJVWYEPBA-UHFFFAOYSA-N 259.378 3.552 30 20 CHED C[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 75275870 TYIYCDWZJVCPOS-DVOMOZLQSA-N 270.376 3.562 30 20 CHED C[C@H](N[C@H](C)[C@@H]1COc2ccccc21)c1cccc(C#N)c1 182073273 SVPPRSGNDFHMMT-IYOUNJFTSA-N 292.382 3.774 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc2c(c1)CCO2 181418943 BFEXZOBLHPLBBS-UHFFFAOYSA-N 294.354 3.504 30 20 CHED C=CCOc1ccccc1CNCc1ccc(OC)cc1 34991121 IVDBILGDAAEJJA-UHFFFAOYSA-N 283.371 3.550 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cccc(OC(C)C)c1 182602476 DNZQFWCLSNSYKA-OAHLLOKOSA-N 289.419 3.877 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCCn1cccc1 412841274 OUVVGWIXMPOGII-GOSISDBHSA-N 296.414 3.572 30 20 CHED CCCCCCC(=O)N[C@]1(C#N)CCc2ccccc2C1 183944587 MOMJPCAXBZPWKX-GOSISDBHSA-N 284.403 3.524 30 20 CHED N#Cc1cnc(N2CC[C@@H]2c2cccc(F)c2)c(Cl)c1 610282459 YFAOFBZJWZDBRJ-CQSZACIVSA-N 287.725 3.697 30 20 CHED N#Cc1ccc(CN2CCC3(CCCC3)CC2)s1 131748103 ZHHUUHIRMOWCKM-UHFFFAOYSA-N 260.406 3.776 30 20 CHED N#Cc1ccc(CSCCCF)c(Br)c1 183278551 VCZFTXVTSCJORW-UHFFFAOYSA-N 288.185 3.914 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C1(c2ccccc2)CC1 131394828 PPMAZKISQYQFHU-UHFFFAOYSA-N 291.350 3.642 30 20 CHED CCN(C(=O)CSCC1(C#N)CCC1)C1CCCCC1 419589952 VQTJMQSKGSOSSU-UHFFFAOYSA-N 294.464 3.595 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](/N=C(/O)[C@H]1CCCC(O)=N1)C2 328791789 MGRKBOZDVGIBBM-BUWBCJGYSA-N 278.396 3.667 30 20 CHED CCN(Cc1cccc(F)c1)c1ccc(C#N)cc1 505743254 DRXFUSNBBXEGOF-UHFFFAOYSA-N 254.308 3.724 30 20 CHED COc1ccc([C@H](C)NCC(C)(C)CCC#N)c(C)c1 414166339 QUKLGXMUVBHZAC-AWEZNQCLSA-N 274.408 3.984 30 20 CHED N/C(=N/OCc1cccc2ccccc12)C1CCCC1 48610105 QRSVABBYOVKYKP-UHFFFAOYSA-N 268.360 3.819 30 20 CHED COc1cc(OCCCOCc2ccccc2)ccc1C#N 194489130 RLEOMXOHCYRZEH-UHFFFAOYSA-N 297.354 3.553 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3cccc(F)c3)C2)c(F)c1 513496619 HUCNFDPXFVEPNE-HNNXBMFYSA-N 298.336 3.826 30 20 CHED Cc1csc(N=C(O)[C@@H]2CCCSC2)c1C#N 329776095 NTNDKIMKUBIULF-SECBINFHSA-N 266.391 3.659 30 20 CHED C[C@H]1CCN(Cc2ccc(Cl)cc2C#N)CCS1 192185189 XEXNHJGPXCUDFT-NSHDSACASA-N 280.824 3.539 30 20 CHED CCc1ccc(CN(C)C(=O)Nc2ccc(C#N)cc2)cc1 45026890 VYNRTTFMCVPTJF-UHFFFAOYSA-N 293.370 3.785 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@]23CCC[C@@H]2C3)CCCC1(C)C 421540555 AGLWOALAZGBBRY-JKIFEVAISA-N 261.409 3.770 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc(Br)cc1 88249759 MELIFJKADXODDP-LLVKDONJSA-N 293.208 3.794 30 20 CHED CCC(CC)(CC)NCc1nnc(-c2ccc(C#N)cc2)o1 86230037 SXJBNOZHBVVPRP-UHFFFAOYSA-N 298.390 3.667 30 20 CHED C#CCSCCN[C@H]1CC[C@H](C)c2ccccc21 222114070 SLFPFXDZTXTLKC-BBRMVZONSA-N 259.418 3.581 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 86284634 UNNFOFXRVXOEDR-HOCLYGCPSA-N 283.375 3.663 30 20 CHED C=CCCC(=O)N1CCCc2cc(C(F)(F)F)ccc21 338604366 CGMAYXMZCPBZGS-UHFFFAOYSA-N 283.293 3.951 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1c(C)[nH]c2ccccc12 424650061 UBXDIZGBDSUDPC-UHFFFAOYSA-N 284.403 3.737 30 20 CHED C=CCCCCCSC[C@H]1CC2(CCC2)C(=O)O1 192547769 KHPMOLFQNWBFPB-CYBMUJFWSA-N 268.422 3.952 30 20 CHED CC(C)c1cc(C(=O)N[C@@H](C)CC#N)c(O)c(C(C)C)c1 512039430 JCSQHIXNEGAUPS-LBPRGKRZSA-N 288.391 3.671 30 20 CHED Cc1ccccc1-c1cccc(CNCCC#N)c1 425983786 WWGZZFKOWDKYIS-UHFFFAOYSA-N 250.345 3.665 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(OC)c1O 92261567 ZTYUIUXAMOUIBO-UHFFFAOYSA-N 283.371 3.589 30 20 CHED C=C(CNC(=O)N1CCCC2(CCC2)C1)c1ccccc1 512674030 UXPPSZKHXBFTHV-UHFFFAOYSA-N 284.403 3.676 30 20 CHED CC[C@H](/N=C(/O)c1cc(O)ccc1Cl)C1CCOCC1 330548974 WIHGCFTXWUTHBM-AWEZNQCLSA-N 297.782 3.555 30 20 CHED CC[C@@H](C)/N=C(/O)Nc1ccc(C)c(OC(C)C)c1 331133687 JZXPQKAHIQRMMX-GFCCVEGCSA-N 264.369 3.907 30 20 CHED CC(C)[C@@H]1N(C(=O)c2cc(C#N)cs2)CC12CCCC2 334769594 GERHCBPRIDAFEU-AWEZNQCLSA-N 288.416 3.661 30 20 CHED N#Cc1csc(CNCCc2cccc3cccnc23)c1 93492285 VNUBUVBOUVOWGZ-UHFFFAOYSA-N 293.395 3.500 30 20 CHED CC(=O)Nc1cc(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)ccc1F 331062653 CXHRTFPXRDMQJR-ZYHUDNBSSA-N 292.354 3.525 30 20 CHED CC(C)c1cc(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)no1 331061281 CFATZFRHAZYVMD-GHMZBOCLSA-N 250.342 3.539 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCc2ccccc21 431702361 MSVLQDFLOCPYLR-KRWDZBQOSA-N 291.354 3.676 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CC(C(C)(C)C)C2)C1 332430598 IXHNJEWREUWMCK-QROZZAMVSA-N 276.424 3.647 30 20 CHED CC(C)CN(Cc1cccnc1)c1ccc(C#N)cc1 438922208 ZXWUDZCTPOBFSA-UHFFFAOYSA-N 265.360 3.616 30 20 CHED CC[C@@H]1CCCN(C(C)(C)CN[C@@H]2CCC[C@@H](C#N)C2)C1 248782288 IAWMDQLNEDZWFG-BRWVUGGUSA-N 291.483 3.559 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 341475665 YBJDJFDSXJQKQX-FZMZJTMJSA-N 262.740 3.586 30 20 CHED C=CCNC(=O)c1ccccc1NCc1ccc(C)c(C)c1 432316348 ZIVDBSINEFEWTE-UHFFFAOYSA-N 294.398 3.831 30 20 CHED COc1ccc(C#N)cc1CN1[C@H]2CCCC[C@@H]2C[C@H]1C 438174101 GBVUFUVJHQUCER-UNEWFSDZSA-N 284.403 3.720 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(-c3ccco3)on2)n1 340779413 AOMKDALNWFETPN-UHFFFAOYSA-N 285.303 3.838 30 20 CHED C=CCSCc1nn(-c2ccccc2)c2c1CCC2 609633869 XZVOCFUFVPDZEA-UHFFFAOYSA-N 270.401 3.780 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1ccc(CC#N)cc1 343556926 RCUQPPYEEAUWQN-OAHLLOKOSA-N 276.383 3.699 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCC#Cc1ccccc1 606632866 VMBNIWUNZKKPNX-AEFFLSMTSA-N 298.430 3.648 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2cc(F)c(F)cc2F)c1 255773369 QISYXXAJMPREIV-PLNGDYQASA-N 287.240 3.872 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(-c3ccco3)cc2F)[nH]1 347756064 OXPWLNQTVWCBCH-UHFFFAOYSA-N 295.273 3.538 30 20 CHED C=CCOc1ccccc1C(=O)N1CCCC(C)(C)CC1 607587697 UTQDBCAAWUBGCT-UHFFFAOYSA-N 287.403 3.904 30 20 CHED COc1ccc([C@@H](NC[C@@H](C)CCC#N)C2CC2)cc1 602502529 MAQOLNHQJNMUGT-GUYCJALGSA-N 272.392 3.676 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N(C)C1(C#N)CCC1 254936824 RJISTFJTVJTZMD-BENRWUELSA-N 288.778 3.648 30 20 CHED C[C@@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(C)(C)C#N 255674917 PXKKWTKHJUIYAY-BSYHEUMXSA-N 294.354 3.729 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2ccccc2O)CCCC1(C)C 444642657 JADVLMBMEZKOHQ-INIZCTEOSA-N 287.403 3.528 30 20 CHED N#Cc1cc(F)c(NCc2cccc3cc[nH]c23)c(F)c1 341420862 GPNTVORNPLLRLP-UHFFFAOYSA-N 283.281 3.930 30 20 CHED C=CCC1(C(=O)Nc2ccc(OC)c(F)c2)CCCC1 449736704 NUXRUQXDZPTGCT-UHFFFAOYSA-N 277.339 3.909 30 20 CHED CC#CCN[C@H](CC(F)(F)F)c1ccccc1C 444778904 AXPOTQKCQGFIEE-CYBMUJFWSA-N 255.283 3.601 30 20 CHED CCC(C#N)(CC)C(=O)N(C)[C@H]1CCCc2ccccc21 602231765 QLXODPZDNMTZRY-INIZCTEOSA-N 284.403 3.852 30 20 CHED C[C@H]1c2c(F)cccc2CCN1CCC(C)(C)C#N 538465818 RRYITDDURANWBI-LBPRGKRZSA-N 260.356 3.685 30 20 CHED C[C@@H](C1CCC1)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 356959311 JFFBSPBNKPOVAO-YOEHRIQHSA-N 299.418 3.861 30 20 CHED C[C@H]1CCC[C@H](C)N(Cc2cn3ccccc3c2C#N)C1 357745312 OOYPFPSUSANPFA-GJZGRUSLSA-N 281.403 3.821 30 20 CHED CC(C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764343 MDSWOTFGRQGHKI-UHFFFAOYSA-N 295.342 3.730 30 20 CHED Cc1cccc(-c2nsc(N3CCC(C)(C#N)CC3)n2)c1 601140506 WHNPHDMVCXUPFO-UHFFFAOYSA-N 298.415 3.644 30 20 CHED C=CCN(CC=C)C(=O)CSCc1cc(C)sc1C 357616390 HRZMLZYWNKGAIO-UHFFFAOYSA-N 295.473 3.799 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@H]1C=CCCC1 354087525 BQZQGLNBAKEZST-ZDUSSCGKSA-N 283.375 3.675 30 20 CHED Cc1c(C(=O)N(C)[C@@H](C)CC#N)oc2c(Cl)cccc12 264011577 BHUSBPDBLROEFZ-VIFPVBQESA-N 290.750 3.769 30 20 CHED C=C(CC)CNc1cccc(Cl)c1N1CCOCC1 539095141 HZTHRBGIQUDTRH-UHFFFAOYSA-N 280.799 3.555 30 20 CHED C=CCc1ccccc1OCCCOCC(F)(F)F 607148617 VMKOYIAPWGDPKI-UHFFFAOYSA-N 274.282 3.763 30 20 CHED N#Cc1ccc(CNCC[C@@H]2CCc3ccccc32)s1 449375350 IFWWKZPICWFPOK-AWEZNQCLSA-N 282.412 3.829 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1ccc(Cl)cc1 538502116 WWGGYIFZXCVXKC-CQSZACIVSA-N 280.799 3.536 30 20 CHED CCCCCn1cc(CN[C@@H]2CCC[C@H](C#N)C2)c(C)n1 447589313 XMORZFFEJIGKQV-DOTOQJQBSA-N 288.439 3.554 30 20 CHED CC#CCCCC(=O)NCc1cc2cc(C)ccc2o1 618471238 YQRZUHGFWHHJIA-UHFFFAOYSA-N 269.344 3.551 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)CC(C)(C)C#N 353188359 VDEQISRHPXBSSY-HUUCEWRRSA-N 298.430 3.984 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CC=CC1 353747266 TYVGFASVKJNMNN-UHFFFAOYSA-N 282.387 3.509 30 20 CHED C[C@H](NC(=O)NC[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 610355629 AWNLSOZIJWETGD-KEYYUXOJSA-N 299.418 3.745 30 20 CHED CC[C@@H](C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 264329698 JZWMPTNLWASSJS-LDYMZIIASA-N 285.174 3.720 30 20 CHED C=CCCC1(C(=O)NCC2(c3cccc(OC)c3)CC2)CC1 356885793 XSFLGZYUTYSYSC-UHFFFAOYSA-N 299.414 3.589 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C(C)(C)CSC 443414261 BXIOSHUCKQLZDU-UHFFFAOYSA-N 295.423 3.730 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1ccn(C2CCCC2)n1 268624035 ARYXGKRMPXFTAB-UHFFFAOYSA-N 294.402 3.502 30 20 CHED Cc1cc(CNc2cc3c[nH]nc3cc2C)ccc1C#N 444000724 FLBDDCPAKSQNIP-UHFFFAOYSA-N 276.343 3.664 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnc([C@H](C)CC)nc1 358153353 PXHHASUPNRSJNE-IAQYHMDHSA-N 261.369 3.531 30 20 CHED CC(C)[C@@H]1OCCC[C@H]1CNc1snc(Cl)c1C#N 267590526 CSLMCLBFRRZFSF-ONGXEEELSA-N 299.827 3.531 30 20 CHED CN(CC(C)(C)C)c1c(C#N)cnc2c(F)ccc(F)c12 610275753 DVRGWOTUXXJODG-UHFFFAOYSA-N 289.329 3.867 30 20 CHED N#CC1CCN(CCCc2c(F)cccc2Cl)CC1 447735759 GXTKVAOFZYLTJM-UHFFFAOYSA-N 280.774 3.647 30 20 CHED C[C@H]1[C@@H](C(=O)Nc2ccccc2SCCC#N)C1(F)F 359365064 WIBIOMREQDECAX-CABZTGNLSA-N 296.342 3.532 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ncc(Cl)s1 352012011 XVWKJJAACSJJCM-UHFFFAOYSA-N 271.817 3.558 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H](C)c1ccco1 359234758 SOSJBCBLQZJSER-ZDUSSCGKSA-N 288.395 3.768 30 20 CHED CC1(C)C[C@@H]1c1noc(/C=C/c2ccc(C#N)cc2)n1 355874503 RLNUCYBIBKOFKB-SBDDDAINSA-N 265.316 3.625 30 20 CHED Cc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1F 619748572 IWBOHXVHANZHMS-UHFFFAOYSA-N 288.753 3.949 30 20 CHED C[C@H](CN(C)C(=O)c1ccc(C#N)s1)C1CCCCC1 530041539 ZFZFDEFDCQJQKH-GFCCVEGCSA-N 290.432 3.908 30 20 CHED C=CCC[C@H](C(=O)NC[C@](C)(CC)OC)c1ccccc1 452739683 MIZABBIJNQGNIZ-WMZOPIPTSA-N 289.419 3.668 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1OCC 453352030 KORUPTFSLYECIE-OCCSQVGLSA-N 297.826 3.716 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(CC)(CC)C1 458617709 KKZYVCUJXQGJID-CYBMUJFWSA-N 252.402 3.563 30 20 CHED CC(C)(C#N)CCN1CC[C@H](Oc2cccc(Cl)c2)C1 538468163 VSJOYTCCSIGNOK-HNNXBMFYSA-N 292.810 3.733 30 20 CHED C=CCC[C@@H](C(=O)NCC(=C)CC)c1ccccc1 456811776 KMTVGMMPHVWEKH-MRXNPFEDSA-N 257.377 3.819 30 20 CHED N#Cc1csc(CN2CCCc3sccc3C2)c1 611271136 KVKHNHZEHDWBFD-UHFFFAOYSA-N 274.414 3.630 30 20 CHED N#Cc1ccc(CN2CCC(c3ccc(O)cc3)CC2)s1 271053251 XQFFDSPJIZNFPA-UHFFFAOYSA-N 298.411 3.705 30 20 CHED C=C(C)CCN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 274877902 YXPMYPFIWOPBSR-GFCCVEGCSA-N 289.354 3.801 30 20 CHED N#Cc1csc(CN2CC(C3CCCCC3)C2)c1 459595624 RLIRVABBMAZPGO-UHFFFAOYSA-N 260.406 3.632 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(OC(F)F)c(Cl)c1 271123580 JFKAMEXOOZMAKF-VIFPVBQESA-N 288.725 3.533 30 20 CHED CCCCc1ccc(CC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612241890 GJQBWGORNKFMQU-IBGZPJMESA-N 298.430 3.724 30 20 CHED CC(C)(NCc1ccc(CC#N)cc1)c1cccs1 542572321 GIAOPRRLQGEDDF-UHFFFAOYSA-N 270.401 3.839 30 20 CHED CC(C)(C#N)CC(=O)NCCC12CC3CC(CC(C3)C1)C2 548407634 GKQOVNHJBLUUGE-UHFFFAOYSA-N 288.435 3.649 30 20 CHED C#CCC1(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)CCCCC1 366371126 RPTXIWOESHZMTO-INIZCTEOSA-N 285.431 3.751 30 20 CHED C=CCCc1nc(-c2ccccc2C(F)(F)F)no1 546237308 LNHKQLVAMJEJFD-UHFFFAOYSA-N 268.238 3.874 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)o1 279760522 ZSBDQOZTHXBXFJ-UKRRQHHQSA-N 284.334 3.716 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1ccc(F)cc1)C1CC1 458989010 OUFQZOSTIDAANA-UHFFFAOYSA-N 290.382 3.712 30 20 CHED C[C@H](NC(=O)Nc1cccc(CC#N)c1)[C@@H]1C[C@H]2CC[C@H]1C2 455942741 IHWPPTALUVCIOI-QEWYBTABSA-N 297.402 3.699 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC)c1ccccc1OCC 276046193 GSVSXMALBNVABJ-OAHLLOKOSA-N 290.407 3.754 30 20 CHED C=CCC[C@@H](NCCC1CCC(OC)CC1)C1CC1 543598148 ZQRWIGCKUQABFH-BDVYOWHSSA-N 265.441 3.916 30 20 CHED CC[C@H](c1ccc(Cl)cc1Cl)N1CCO[C@H](C#N)C1 275773025 ZEBMXMVQBPRONY-BXUZGUMPSA-N 299.201 3.669 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1CCCCC#N 366878894 FRVFWLTZXKIRMB-RDJZCZTQSA-N 256.393 3.948 30 20 CHED Cc1ccc(-c2ncco2)cc1NC(=O)CC(C)(C)C#N 278834789 VMALODKVASVICW-UHFFFAOYSA-N 283.331 3.528 30 20 CHED C=C[C@H](C)NC(=O)c1sc(C2CC2)nc1-c1ccccc1 361314753 GSJBTZBCMQVERO-NSHDSACASA-N 298.411 3.992 30 20 CHED C[C@@H]1C[C@@H](CCNc2ccc(C#N)c(Cl)c2)CCO1 543208583 SIODQMSLUVLXPV-NEPJUHHUSA-N 278.783 3.829 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 620864641 KDCIQKXRNBRJRE-JKSUJKDBSA-N 287.403 3.660 30 20 CHED C=C1CCN(Cc2ccccc2OCc2ccccn2)CC1 271151381 DWJUVEVINHKWRV-UHFFFAOYSA-N 294.398 3.813 30 20 CHED CC[C@H]1CCCCN1c1ncc(Cl)c(C)c1C#N 541277438 HENDBRNKXZKXHY-NSHDSACASA-N 263.772 3.684 30 20 CHED CC(C)(C#N)CC(=O)N1CCCC2(CCCCCC2)C1 377472231 XXNIMIZSKOQRLJ-UHFFFAOYSA-N 276.424 3.889 30 20 CHED Cc1ccc2sc(C(=O)N[C@H](C#N)C(C)(C)C)cc2c1 464029753 MRZSAZKKAIRZOA-CQSZACIVSA-N 286.400 3.878 30 20 CHED C=C[C@H](C)NC(=O)C1(c2c(Cl)cccc2Cl)CC1 469004633 REGZNCFJCBDMFF-VIFPVBQESA-N 284.186 3.716 30 20 CHED C#CCCCNC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 378467429 SLJVFJZFTZMZNS-HKUYNNGSSA-N 296.414 3.511 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@H](C)c1c(C)noc1C 620858027 SNPYKQAJJBSLHV-NSHDSACASA-N 278.396 3.646 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1cccc(C#N)c1 285161333 YJCSXCKXWPURKC-UHFFFAOYSA-N 268.316 3.835 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CCCCC12CCCC2 463307182 HUDFAHFKKRUBRD-ZIAGYGMSSA-N 264.413 3.753 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1c(F)cncc1F 285562405 HDAHJAYZJKARBM-MNOVXSKESA-N 287.313 3.643 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2C[C@@H]2Cc2ccccc2)n1 462887192 XQPAAPWQGFFNPI-DOTOQJQBSA-N 277.371 3.613 30 20 CHED CC(C)C[C@H]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462197859 VVXVUFPTRDKARY-GOEBONIOSA-N 284.403 3.556 30 20 CHED CC1(C)CN(C[C@H](C#N)CCC#N)[C@H]1c1cccs1 286936722 LOXSZFDQEAGETO-JSGCOSHPSA-N 273.405 3.575 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 280374532 OVLFTBUHTNCNNX-SFHVURJKSA-N 297.402 3.546 30 20 CHED C=C[C@](C)(O)CC(=O)N(CCCC)[C@H]1CCC[C@H](C)C1 554624146 IURQAWZMDVJXFX-ZOBUZTSGSA-N 281.440 3.521 30 20 CHED C=CCC[C@H](C(=O)OCc1cnc(C)nc1)c1ccccc1 803450281 GLALAHXSQQXPCB-KRWDZBQOSA-N 296.370 3.578 30 20 CHED CCc1ccc(CCC(=O)NCC(C)(C)CCC#N)cc1 553754998 YHSNBMCUGKTCIK-UHFFFAOYSA-N 286.419 3.628 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1cnccc1C#N 805167868 IRHWSYKDYPGVSS-GDBMZVCRSA-N 299.418 3.536 30 20 CHED CC(=NNc1cc(C)ccn1)c1cc(Cl)cc(C)c1O 807977666 WSXGLQIFLVDEEO-UHFFFAOYSA-N 289.766 3.894 30 20 CHED CC(=O)c1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1C 295562139 QKBLPUBOZQAAMS-GOSISDBHSA-N 296.370 3.610 30 20 CHED C=CCCCCN[C@@H]1CCN([C@@H](C)c2ccccc2)C1 471598640 LJRLXBPXBZQSAF-FUHWJXTLSA-N 272.436 3.768 30 20 CHED Cc1c(C(=O)/C=C/c2cn(C(C)C)nn2)oc2ccccc12 806571572 WXZHEEOJIZYHHC-CMDGGOBGSA-N 295.342 3.810 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC(C)(C)[C@H]1c1ccncc1 567237800 SGXPMRZTRYIIME-PBHICJAKSA-N 272.392 3.593 30 20 CHED CCC[C@@H](OC)c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 562845604 SXZKKFJHXZGJSU-RRFJBIMHSA-N 297.358 3.700 30 20 CHED FC(F)(F)[C@H]1CCCC(=NNCC2CCCC2)C1 808005806 KDXYDQSDBYJFSO-NSHDSACASA-N 262.319 3.875 30 20 CHED CC(C)OCCON=Cc1csc(Cl)c1Cl 812239084 MJSKQESNLBAJMU-UHFFFAOYSA-N 282.192 3.830 30 20 CHED C=CC[C@H]1N(C(=O)c2cnc(C3CC3)o2)CCCC1(C)C 640209387 GRMKTADCPJMNAH-CQSZACIVSA-N 288.391 3.759 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N(C)CC(C)(C)C#N 817611206 FBUXRXWJJNFJLW-FMIVXFBMSA-N 290.794 3.751 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)CCc1ccccc1F 488877181 NJJFDKYNUAMAJZ-ZBFHGGJFSA-N 289.394 3.962 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1cc(Cl)cs1 488877028 HCIPMORFPLSVJH-GFCCVEGCSA-N 283.824 3.901 30 20 CHED C=CCCCN(C)c1nnc([C@H]2CCCS2)n1C1CC1 565134243 PNZVFQAVNQJVLS-CYBMUJFWSA-N 292.452 3.584 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](CCOC(=O)CCCC#N)C1 812615445 GJXLVLVDUWLUCC-WDNDVIMCSA-N 251.370 3.686 30 20 CHED Cc1nnsc1C=NNc1ccc(Cl)cc1Cl 814214395 BRSAQOLDMHRUKV-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)Cn1ccc2ccccc21 489772489 UNCLISMWUQOZMQ-OAHLLOKOSA-N 298.430 3.996 30 20 CHED C#CCCCCCC(=O)NC[C@H](c1ccccc1)C1CC1 814332333 OETCJNUAFSFNNO-GOSISDBHSA-N 283.415 3.880 30 20 CHED Clc1cccc(CNN=Cc2ncc(Cl)s2)c1 814867987 SCOYOXVQFGXAOY-UHFFFAOYSA-N 286.187 3.574 30 20 CHED CC#CCCN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 482156233 KKWOHFJLQXTMNK-LBPRGKRZSA-N 269.310 3.639 30 20 CHED CCCC[C@H](CCC)CNCc1cc(C#N)n(C)c1 480395027 PUPDNFFYOSSGEE-AWEZNQCLSA-N 261.413 3.593 30 20 CHED FC(F)(F)CC=NNc1ncc(Cl)cc1Cl 817323700 HRUDRFNTTPURGS-UHFFFAOYSA-N 272.057 3.739 30 20 CHED Cc1cc(CN2CCCC(C)(C)[C@@H]2C#N)cc(C)c1O 578264167 KUVVNKYZWWSLBK-HNNXBMFYSA-N 272.392 3.523 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC=C)CC1CCCCC1 482877804 HJAKBVBKLJKZAH-HNNXBMFYSA-N 279.424 3.563 30 20 CHED C#CC[C@H](N[C@H](C)c1ccc(OC)c(O)c1)c1ccccc1 810228909 NQWLXUQZIFAVEN-PBHICJAKSA-N 295.382 3.816 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)[C@]1(C#N)CC12CCCC2 574267801 XWNOVZNAVNNBSE-LJQANCHMSA-N 296.414 3.818 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)/C=C/c1ccccc1C#N 819180510 BZEWTRIOBJUFAK-SCOAYWHSSA-N 282.387 3.514 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C#N)s1 484876622 FRRWJVWRFITWDP-OAHLLOKOSA-N 296.395 3.906 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)C1 481598241 PWEQHDWVZFHJCT-VXGBXAGGSA-N 289.354 3.645 30 20 CHED CCOc1ccc(NN=C2CCc3ccc(C#N)cc32)cc1 814983663 FBLRYLGWELPOBZ-UHFFFAOYSA-N 291.354 3.719 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 812017852 JZFKTAPEUVBBBZ-ZJUUUORDSA-N 299.201 3.718 30 20 CHED C=CCCN[C@@H](C)Cc1ccccc1C(F)(F)F 658113924 JPAQEGGOTYAMNZ-NSHDSACASA-N 257.299 3.802 30 20 CHED Fc1ccccc1NN=C1COc2cccc(Cl)c21 814790906 ZSALYJDJQVASQV-UHFFFAOYSA-N 276.698 3.688 30 20 CHED CC(=NNc1ccc(F)cc1)[C@@H](C)CCCCC(=O)O 814693377 MBXIXEAABYFWAP-NSHDSACASA-N 280.343 3.895 30 20 CHED CC1(C)CCCC[C@@H]1NN=C1CCCC[C@@H]1CCCO 814917303 JSWKHGNEYLYCOI-ZBFHGGJFSA-N 280.456 3.864 30 20 CHED C=CCC(F)(F)C(=O)NC(C)(C)c1cccc(Cl)c1 815663547 CKUGZZAUHKGTFY-UHFFFAOYSA-N 287.737 3.903 30 20 CHED CN(C(=O)c1ccc(C#N)s1)c1nc2ccccc2s1 487191377 BXJSYBQIQUZDHO-UHFFFAOYSA-N 299.380 3.506 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 486831789 JYWPHQKJUVVHGD-VIFPVBQESA-N 290.775 3.764 30 20 CHED Cc1cc([C@H](N=c2ccc(C#N)c(C)[nH]2)C2CC2)ccc1F 488082043 CMWXZVSMKWYCJK-GOSISDBHSA-N 295.361 3.694 30 20 CHED C=C(CC)CSc1nnc(Cc2cccc(F)c2)o1 570190607 SPPJCEFJFYWOBF-UHFFFAOYSA-N 278.352 3.858 30 20 CHED FC(F)Oc1ccc(NN=Cc2cccs2)cc1 726426897 LVNBFTOTMZCQTE-UHFFFAOYSA-N 268.288 3.796 30 20 CHED N#Cc1cc(F)ccc1CN(CCc1ccccc1)C1CC1 728569332 AKHQDVMXFNAHSR-UHFFFAOYSA-N 294.373 3.904 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(F)c(F)c1F 665151462 WVFATUUVRVTTNE-UHFFFAOYSA-N 286.297 3.970 30 20 CHED Cc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)ccc1F 729097985 OORQHZMRBHLYEQ-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C=CCCC(=O)OCC(=O)c1ccc(CC(C)C)cc1 726650324 MUFQRSQWBBQMLL-UHFFFAOYSA-N 274.360 3.577 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H](C)C(C)C 490299433 LLRVBUWWGWLZJA-AWEZNQCLSA-N 263.381 3.519 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 586760608 CVPVMDYJAMPQOD-HKUYNNGSSA-N 298.430 3.716 30 20 CHED CCc1noc(C)c1C(C)=NNc1ccc(F)c(F)c1 901318253 RXEBULKVAVLDIZ-UHFFFAOYSA-N 279.290 3.660 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)c1cccc(C)c1 495229679 CILZSNIBJWHGMM-DOTOQJQBSA-N 286.419 3.849 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccsc1C#N 906936055 CQVWKNXFCNUEAB-TZMCWYRMSA-N 296.395 3.638 30 20 CHED C=C(C)CN=c1[nH]c(-c2ccc(SC)cc2)cs1 589631840 OONIKJNMBBIJAD-UHFFFAOYSA-N 276.430 3.942 30 20 CHED CCN(C(=O)CCCCCC#N)[C@@H]1CCCC[C@H]1C 588909133 NYVPLKLXVYNWEB-HUUCEWRRSA-N 264.413 3.888 30 20 CHED Cc1nn(C)c(/C=C2\C(=O)c3ccccc3[C@H]2C)c1Cl 901505776 GSFCFSFUMPHSMP-PGEKAQRJSA-N 286.762 3.765 30 20 CHED Cc1sccc1C(=O)OC[C@H](C#N)Cc1ccccc1 835209367 FQCYNIHWGJZWSW-AWEZNQCLSA-N 285.368 3.596 30 20 CHED CC(C)(C)C#CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 837364269 VGVYVDRAOMLYHA-INIZCTEOSA-N 269.388 3.646 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H](CCC)CC(C)C 839325926 AYRZBXCTNQLOBS-CYBMUJFWSA-N 291.357 3.863 30 20 CHED COc1cccc(O)c1/C=N/Cc1coc2ccccc12 733904626 YTQTZPGLLYWCJQ-VCHYOVAHSA-N 281.311 3.766 30 20 CHED C=CCOc1cccc(NC(=O)OC2CCCC2)c1 831038693 NTBWYQPVSKISOD-UHFFFAOYSA-N 261.321 3.743 30 20 CHED C=CC[C@H](NC(=O)N[C@H]1CCC[C@H](C)C1)c1ccncc1 734661879 PXOHJCNVNNETMC-BPUTZDHNSA-N 287.407 3.577 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(OC)c2F)cc1 588619130 UEJZLCZCMYDQAX-FLIBITNWSA-N 286.302 3.739 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccc(O)cc1 730732136 CHSPWHSESNPYDR-TWGQIWQCSA-N 260.239 3.567 30 20 CHED CCCCCCCCCN(C)Cc1cc(=O)c(O)co1 736309040 RSFTVHJUICJKSO-UHFFFAOYSA-N 281.396 3.528 30 20 CHED CC(=NNc1cc(C)ncn1)c1ccc(C(C)(C)C)cc1 731935788 RHCFDLLCUZHSQD-UHFFFAOYSA-N 282.391 3.919 30 20 CHED N#CC1(CCCCSCc2nncs2)CCC1 901810459 FKOSRYBRCXADJK-UHFFFAOYSA-N 267.423 3.635 30 20 CHED CC1(C)CC(CN[C@@H]2CCc3ccc(C#N)cc32)C1 581973316 IDTAFNVJBUGXCY-MRXNPFEDSA-N 254.377 3.571 30 20 CHED C=C(Cl)CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 743854872 QGYOLRZMJHFMTO-IINYFYTJSA-N 253.748 3.961 30 20 CHED C=CCCC(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 588102408 OWGJGSFNJRCGMK-FUHWJXTLSA-N 287.403 3.579 30 20 CHED FC(F)(F)c1ccnc(NN=C2CCC23CCC3)c1 834984693 XWPVBWWVNWFZOA-UHFFFAOYSA-N 269.270 3.832 30 20 CHED C=CCN(C(=O)NCC(C)(C)c1cccc(F)c1)C(C)C 735762843 RUOCNZYVIJYGNW-UHFFFAOYSA-N 292.398 3.709 30 20 CHED CCCCCCCOC(=O)c1csc([N+](=O)[O-])c1 918494225 QNQXTSFOJZWXJC-UHFFFAOYSA-N 271.338 3.784 30 20 CHED C=C(Cl)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 915661311 UQDPONNKTAPNQW-UHFFFAOYSA-N 281.783 3.827 30 20 CHED C=C(C)CN(C)c1nnc(C(C)C)n1CCc1ccccc1 670152088 BJGHMBSJDASKKJ-UHFFFAOYSA-N 298.434 3.657 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1 834870624 JJCBSVVFOAXJDM-UITAMQMPSA-N 293.366 3.584 30 20 CHED CCCOc1cccc(N=Cc2cccc(OC)c2O)c1 915113253 SIZGVGOCGRHSHR-UHFFFAOYSA-N 285.343 3.940 30 20 CHED Cc1cc2cc(C=NN[C@@H]3CCOC3(C)C)oc2cc1C 835018105 VMSCNXLEGDSBLL-MRXNPFEDSA-N 286.375 3.541 30 20 CHED COc1cc(NN=C(C)[C@@H]2C[C@H]3CC[C@H]2O3)ccc1Cl 834975582 AAOIEGWRPRGBMK-MBNYWOFBSA-N 294.782 3.704 30 20 CHED CCN(C)c1ccc(CSc2ccc(C#N)cn2)cc1 747809736 UMCNQTMDWRGWLJ-UHFFFAOYSA-N 283.400 3.702 30 20 CHED CC(C)(C)c1ccc(C=NNc2ccc(Cl)nn2)cc1 916288331 WZPTVVJVCBNMGF-UHFFFAOYSA-N 288.782 3.874 30 20 CHED C=CCN(C(=O)NC[C@H](C)c1cccc(C)c1)C(C)C 741424270 BETHRMJIHSYZHV-HNNXBMFYSA-N 274.408 3.705 30 20 CHED C#CCO[C@@H](C)c1nc(-c2cccc(C(C)(F)F)c2)no1 834892582 WPJCNYSJSKELFR-JTQLQIEISA-N 292.285 3.559 30 20 CHED Cc1ccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 917559272 JGIFLRVOAQAIGK-NJPLLEPOSA-N 284.315 3.789 30 20 CHED O=[N+]([O-])c1cccc(C=NNc2cccc(Cl)c2)c1 916269257 ASSXOTMBJPQVRU-UHFFFAOYSA-N 275.695 3.694 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC1CCC1 595782546 OSTBQXDKEJJXPV-AWEZNQCLSA-N 299.418 3.841 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](C2CC2)C1 673561125 ZUAPWSGZYXHQFG-HIFRSBDPSA-N 264.413 3.563 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(CC(=O)O)cc1 915989932 GUEFOWLOGPDVFG-KHPPLWFESA-N 280.323 3.518 30 20 CHED N#CCC1(CSc2nnc(Cc3cccs3)o2)CC1 594892333 YWRRNPJUVLGRFB-UHFFFAOYSA-N 291.401 3.508 30 20 CHED C=C1CCN(C(=O)COCCCCCCCC)CC1 741687052 PVWUJNPMMLIRBC-UHFFFAOYSA-N 267.413 3.542 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)OCC(=O)c1ccc(C#N)cc1 748260291 ZXFRPOXWTOAYPQ-XJKSGUPXSA-N 299.370 3.501 30 20 CHED CCCN1CCC(/N=C\c2c(O)ccc3ccccc23)CC1 743334234 RLBRWBHSVKGJEX-ZHZULCJRSA-N 296.414 3.839 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1cccs1 841744181 FTBDRRXKRXRKRM-UHOFOFEASA-N 282.412 3.902 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC(C(F)(F)F)CC1 595331511 WECPQHFRENZYRA-ZDUSSCGKSA-N 268.282 3.526 30 20 CHED Cc1cc(Cl)cc(CN2CCC[C@H](CC#N)C2)c1 597176976 KYKJMXXUGAKYBR-CYBMUJFWSA-N 262.784 3.774 30 20 CHED C=CC[C@H](NC(=O)CC(C)(C)CC)c1ccncc1 744513554 UPLPPHRPTBWVSW-AWEZNQCLSA-N 260.381 3.641 30 20 CHED CCOc1ccc(/C=N\C[C@H](C)CC(F)(F)F)c(O)c1 840711827 CMPPAHPUZMCVIY-PQQLAPNWSA-N 289.297 3.798 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1ccncc1 747634786 AEIWOVYAZJAUQC-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)C[C@@H](C)CC)c1 743004722 JNIDBJOOJVXYLJ-QWHCGFSZSA-N 274.433 3.779 30 20 CHED Cc1ccccc1-c1nnc(S)n1N=C[C@@H]1CC=CCC1 916341394 ARYCMKPJGWILSO-CYBMUJFWSA-N 298.415 3.732 30 20 CHED CC(C)N(CCCOc1ccc(C#N)cc1)C1CCC1 740886150 IWCHQUDJBQWYPD-UHFFFAOYSA-N 272.392 3.590 30 20 CHED N#CC[C@H]1CCCN([C@H]2CCCc3ccccc32)C1 595613286 ABKRKZHDVNXBQN-PBHICJAKSA-N 254.377 3.690 30 20 CHED C=C(C)CONC(=O)c1oc2ccccc2c1CSC 846540505 YSMXXOGOGWHYNX-UHFFFAOYSA-N 291.372 3.533 30 20 CHED CCc1ccc(C(C)=NNc2ccc(C(=O)O)cc2)cc1 916240667 JREIAMGVNCPPJX-UHFFFAOYSA-N 282.343 3.783 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2(C(F)F)CCCC2)c1 590859016 YIAZJVAVXMUBEA-UHFFFAOYSA-N 293.317 3.566 30 20 CHED N#CC1(CC(=O)N2CCC[C@H]2C2CCC2)CCCCC1 597124034 GSHXQTUSUPULTL-HNNXBMFYSA-N 274.408 3.642 30 20 CHED CC(C)CC1(CNC(=O)N2CCC[C@H](CC#N)C2)CCC1 595556067 ATUJDTIVADAQOU-OAHLLOKOSA-N 291.439 3.538 30 20 CHED CC(C)CCC(=O)N(c1ccc(C#N)cc1)C1CCC1 598884467 GISXCXRFESRCAU-UHFFFAOYSA-N 270.376 3.880 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCCC1(C)C 593990816 RWGBKHWKKJUVKP-WMLDXEAASA-N 298.430 3.822 30 20 CHED C[C@H](C#N)N(C(=O)c1cccc(Cl)c1Cl)C1CC1 598122843 GTWNBSCSUGEPLU-MRVPVSSYSA-N 283.158 3.510 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C1CCC2(CC1)CC2 597584625 RJYWJQYVDZBUMP-KRWDZBQOSA-N 294.398 3.632 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1NC[C@@H](C#N)CCC#N 591760869 KOWLDFYGUMQTEM-IIDMSEBBSA-N 281.403 3.733 30 20 CHED C=C(C)CNC(=O)c1cnc(-c2ccc(C)cc2C)s1 681674807 QXRYFONNBSAGAF-UHFFFAOYSA-N 286.400 3.733 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@]2(CCSC2)C1 590763903 PVNQXZNWXUHKEJ-KRWDZBQOSA-N 286.444 3.586 30 20 CHED C=CCC[C@H](C(=O)N=S1(=O)CCCC1)c1ccccc1 925910076 QGJLYQSBESCTDC-HNNXBMFYSA-N 291.416 3.525 30 20 CHED Cc1ccc([C@H](NCC2(C#N)CCC2)C2CC2)cc1 841898618 PHRNXNAOGJUWJG-INIZCTEOSA-N 254.377 3.730 30 20 CHED C=C(C)CONC(=O)c1ccc(SC(F)(F)F)cc1 846540526 ZQMQTPCOAYYKOJ-UHFFFAOYSA-N 291.294 3.536 30 20 CHED CCCC(CCc1ccccc1)=NNC1CCOCC1 757596389 AKNYMILUESQISA-UHFFFAOYSA-N 274.408 3.544 30 20 CHED Clc1cccnc1NN=C1CCC2(CCOCC2)CC1 751525872 HEABMADKIBNXIR-UHFFFAOYSA-N 293.798 3.874 30 20 CHED CC(CCC1CCCCC1)=NNC1=N[C@@H]2CCCC[C@H]2N1 753937159 CNIFKDCNAGETBJ-HZPDHXFCSA-N 290.455 3.583 30 20 CHED CCCCc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1 929154424 CRCRBGCXOKTLDD-HNNXBMFYSA-N 285.391 3.797 30 20 CHED C=CCN(Cc1cc(=O)oc2cc(C)ccc12)C(C)(C)C 852554214 GRWUSIGJRBQIQX-UHFFFAOYSA-N 285.387 3.888 30 20 CHED Cc1nc(C)c(CON=Cc2ccccc2C(F)(F)F)o1 853640952 UPIBKXXYRUGKSL-UHFFFAOYSA-N 298.264 3.861 30 20 CHED C#CC[C@H](NC(=O)C[C@H](C)CCC)c1ccccc1 757599508 MYGZIEKAHAJACE-ZBFHGGJFSA-N 257.377 3.694 30 20 CHED Cc1ccnc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 755907151 VRNVMIVCDYTAOK-MQYQWHSLSA-N 255.365 3.614 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1ccccc1 757765635 XHCQYFLJURBJBW-NJAFHUGGSA-N 298.430 3.971 30 20 CHED COCc1ccc(C=NNCc2cccc(Cl)c2)cc1 756826985 HTYBIPAAGBAEGT-UHFFFAOYSA-N 288.778 3.610 30 20 CHED CCOCCC1(CN[C@@H](C)CC(C)(C)C#N)CCC1 925541125 ANLMBHPZOMUKNS-AWEZNQCLSA-N 266.429 3.501 30 20 CHED CSc1ccc(/C=C/C(=O)N(CCC#N)C(C)C)s1 858995032 KMLWEXZOOKZOIP-FNORWQNLSA-N 294.445 3.634 30 20 CHED CCc1cc(NN=C(C)CC2CC2)nc(-c2ccccn2)n1 756826628 JZKKRMZFPQXFKZ-UHFFFAOYSA-N 295.390 3.689 30 20 CHED Clc1ccc(OCCON=CC2CC2)c(Cl)c1 853736591 HJURYIDEFKUVLC-UHFFFAOYSA-N 274.147 3.785 30 20 CHED C=C(CNC(=O)[C@](C)(F)CCCC)c1ccccc1 854470014 CYJIBOJGIYGSBZ-MRXNPFEDSA-N 263.356 3.734 30 20 CHED COCCC(=NNc1ccc(C(F)(F)F)cn1)C(C)C 756819478 HSUHEIAUTFZDMS-UHFFFAOYSA-N 289.301 3.561 30 20 CHED CCC(=NO[C@H]1CCCCO1)c1ccc(OC(F)F)cc1 755823688 RYAOTMZXHANACX-AWEZNQCLSA-N 299.317 3.945 30 20 CHED C#C[C@@H](CC)NC(=O)N(CC)[C@@H](CC)c1ccccc1 753258272 ADUBBKRTYFRINU-HOTGVXAUSA-N 272.392 3.581 30 20 CHED CC(CCc1ccc(C)cc1)=NO[C@H]1CCCCO1 755814082 KPNRCCFYRYQASB-INIZCTEOSA-N 261.365 3.847 30 20 CHED C(=NNc1nc2ccccc2[nH]1)[C@@H]1C[C@H]1c1ccccc1 755489305 UABDSPZAVJIWSV-KBPBESRZSA-N 276.343 3.764 30 20 CHED CCCC=Nn1cnnc1SCc1ccc(Cl)cc1 755593024 LYOVQAYUGJKSGR-UHFFFAOYSA-N 294.811 3.858 30 20 CHED C=C1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1 930407016 YKONNAZOBXUUGN-UHFFFAOYSA-N 268.719 3.663 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)OC[C@@H](C)C#N 860616059 ZKFWEJWLKADYQA-NSHDSACASA-N 269.300 3.572 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@](C)(C#N)C1CCCCC1 932887143 QQIOYYLFXHUHLY-CJNGLKHVSA-N 262.397 3.567 30 20 CHED CC[C@H](CC#N)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 762718044 DPRSTYIDLPBUNU-JXMNSVBMSA-N 284.403 3.806 30 20 CHED CCCCCCCCNC(=O)N1CC[C@H](C2CC2)C1 763534211 GJVWONYGXZPPMT-HNNXBMFYSA-N 266.429 3.788 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc([C@H](C)CC)cc1 762722315 KRPJOAXTAKQKCJ-IUODEOHRSA-N 258.365 3.622 30 20 CHED C=C[C@@H](CC)CC(=O)NCCCc1c[nH]c2ccccc12 932250866 FOZLHDJKTMIROV-AWEZNQCLSA-N 284.403 3.819 30 20 CHED CCc1ccccc1NN=C(C)Cc1ccncc1 767777160 YBNGDZFKKWSTSQ-UHFFFAOYSA-N 253.349 3.675 30 20 CHED CCC(C#N)(CC)C(=O)OCCCCC(F)(F)F 860198290 REFYVLACXSKMPJ-UHFFFAOYSA-N 265.275 3.592 30 20 CHED CCC(CC)[C@H](C)C(=O)Oc1ccc(C#N)cc1F 761773234 QXBXVDPXJUYOFU-JTQLQIEISA-N 263.312 3.675 30 20 CHED C#CCCCN1CCS[C@@H](C)[C@H]1c1ccccc1 766904901 DTGXAIQFRBALSZ-HOCLYGCPSA-N 259.418 3.578 30 20 CHED CC(C)[C@@H](C#N)C=NNc1ncc(Cl)cc1Cl 1116351510 CTUMSHHPIMBIPV-QMMMGPOBSA-N 271.151 3.582 30 20 CHED C/C=C(/C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 760967090 BDWCPCSCZFCLKI-BNFOFFDWSA-N 289.285 3.574 30 20 CHED Clc1c[nH]ccc1=NN=C1CC[C@H]1c1ccccc1 769794858 WRWVEHNVEHDMOG-LBPRGKRZSA-N 271.751 3.502 30 20 CHED N#CCCCCCC(=O)N[C@H]1CCc2ccc(Cl)cc21 863634935 FSMHFRAHIJEHIM-HNNXBMFYSA-N 290.794 3.918 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ncccc2Cl)C1 768359305 CKWMSLDSTZBBPB-GHMZBOCLSA-N 251.761 3.959 30 20 CHED Cc1sc(/C=C/c2ccc(C#N)s2)cc1C=O 760265975 QXRLYGVGCFKHCV-DUXPYHPUSA-N 259.355 3.973 30 20 CHED CC(CCc1ccco1)=NNc1cc(C#N)cc(Cl)n1 768374704 IMVRZQQHWZTPOC-UHFFFAOYSA-N 288.738 3.620 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(OCCCC)c1 767067125 LEGASDIDBWOYHR-UHFFFAOYSA-N 273.376 3.854 30 20 CHED CCCCCCCCC(=O)N(C)[C@H](C)C1CCN(C)CC1 778406738 ICMICIGGUNSSAJ-MRXNPFEDSA-N 296.499 3.926 30 20 CHED C=C(Cl)CNC(=O)C(C)(C)c1cccc(Cl)c1F 772077904 YJYQZWLSFLUQJO-UHFFFAOYSA-N 290.165 3.625 30 20 CHED Clc1cccc2c1CCCC2=NOC1CCOCC1 774453151 PBLKXPNKCDIOFK-UHFFFAOYSA-N 279.767 3.576 30 20 CHED C=CC(C)(C)CNC(=O)N(CC)Cc1ccccc1F 1117842373 YSBWUFDYKJPGBZ-UHFFFAOYSA-N 278.371 3.569 30 20 CHED C#CCCCN[C@@H](CCC)c1ccc(F)cc1F 775543385 UNGKVKYQPYPFKI-HNNXBMFYSA-N 251.320 3.809 30 20 CHED COc1cc(C)c([C@H](C)NCC(C)(C)C#N)cc1C 877322680 BEAIVOUHJGHRDR-ZDUSSCGKSA-N 260.381 3.512 30 20 CHED C=CCC1(C(=O)N2CC[C@H]3OCCC[C@H]3C2)CCCCC1 1117756687 ONLQWULJXFQIEU-JKSUJKDBSA-N 291.435 3.541 30 20 CHED C[C@H](C#N)COC(=O)C(C)(C)c1ccc2ccccc2c1 770933085 NWTLKGBHYNGRPT-CYBMUJFWSA-N 281.355 3.820 30 20 CHED CCCCCCCCN[C@H](C)C1CCN(C(=O)OC)CC1 776806615 CRPGPJUTFYCPCU-OAHLLOKOSA-N 298.471 3.803 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2sccc2O)c1 773151166 UZEYRLIJJDPTTM-VOTSOKGWSA-N 286.352 3.915 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CCC[C@H](C)[C@@H]1C 1127682212 ZCCSARABJWZOQZ-DETPVDSQSA-N 271.360 3.848 30 20 CHED CCc1ccc(C(C)=NNc2cccc(OC)n2)s1 779819976 ZEBNVJFMGFVSRP-UHFFFAOYSA-N 275.377 3.550 30 20 CHED O=C(/C=C/c1nc2c(s1)CCCC2)c1ccccc1 776262568 JCONUJBWWKVZOO-ZHACJKMWSA-N 269.369 3.918 30 20 CHED CC(=NOCc1ncoc1C(C)C)c1ccc(F)cc1 1120256761 QLMRYYGPMJWBHP-UHFFFAOYSA-N 276.311 3.878 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887701936 QFQLGEJBDADOAL-GJZGRUSLSA-N 298.430 3.946 30 20 CHED Cc1ccc(CCCC=NOC2CCOCC2)cc1C 774458717 QLWROMYZPGRSJI-UHFFFAOYSA-N 275.392 3.808 30 20 CHED Cc1ccccc1OC(=O)c1ccc(C#N)c(Cl)c1 777401578 JRUBTVVXWVQECZ-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C=CCCC[C@@H](NCC1([S@@](C)=O)CC1)c1ccccc1 883220534 LDAWFPBELJRJSV-OXQOHEQNSA-N 291.460 3.585 30 20 CHED COc1ccc(N(C)Cc2ccc(C#N)c(C)c2)c(OC)c1 785764683 WKSJYZIMCZPGHJ-UHFFFAOYSA-N 296.370 3.520 30 20 CHED C[C@H](C=NN[C@@H]1CCOC(C)(C)C1)CCc1ccccc1 780249787 DNFBTTHHNPCFKQ-DOTOQJQBSA-N 288.435 3.788 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(-c3ncco3)c2)cs1 1127716721 CZWNSXCYLGEAOZ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED N#Cc1cccc(C(=O)OC2(Cc3ccc(F)cc3)CC2)c1 789792560 VFJCFJLBGFDKTI-UHFFFAOYSA-N 295.313 3.629 30 20 CHED Cc1noc(Cc2ccc(N[C@@H](C)CC(C)(C)C#N)cc2)n1 897113229 FYWDKQKSTJTOKW-LBPRGKRZSA-N 298.390 3.709 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCC[C@H](N(C)C)C1 788438473 JXUCRJLUOHOCNU-INIZCTEOSA-N 296.418 3.815 30 20 CHED CC(=NOC[C@H]1CCOC1)C1(c2ccccc2)CCCC1 788033483 IMPJYATTWMNAMY-INIZCTEOSA-N 287.403 3.927 30 20 CHED C=C1CCC(c2nc(-c3cn(C)nc3C(C)C)no2)CC1 896326937 VVEDLAHZACMOIM-UHFFFAOYSA-N 286.379 3.807 30 20 CHED C=CC[C@@H](C)C(C)=NNc1nnc(-c2ccccn2)s1 788027535 RJFIXXSHFGXMDS-SNVBAGLBSA-N 287.392 3.600 30 20 CHED Cc1c(C(=O)OCC(C)(C)C#N)sc2ccc(C#N)cc12 797052722 CRNDOPVQVMBION-UHFFFAOYSA-N 298.367 3.788 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)/C=C1\CC[C@H](C)C1 797169796 BCIVNBSFKFBXEJ-CVCOIXHCSA-N 283.375 3.675 30 20 CHED CC[C@@H](C)CON=Cc1cnc(-c2ccccc2)nc1 793159402 OQHPGDPHHYSOOW-CYBMUJFWSA-N 269.348 3.540 30 20 CHED COc1ccccc1CON=C(C)c1c(C)cc(C)cc1O 799888649 QSHTVBGUWIIUQE-UHFFFAOYSA-N 299.370 3.958 30 20 CHED Cc1cc2cc(C/N=C\c3cccc(O)c3O)ccc2[nH]1 794689266 SIJUCORLISXOOG-ZDLGFXPLSA-N 280.327 3.507 30 20 CHED C#Cc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 792636514 ZNYLQAJAOLFYFZ-UHFFFAOYSA-N 274.245 3.531 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](CO)c1ccc(F)cc1 793541553 RHRBFHUYBGBZNG-YOEHRIQHSA-N 279.399 3.974 30 20 CHED N#Cc1ccc(CCN2CCCC3(CCCC3)C2)cc1 1208925505 FDNIAHGMOYDVAW-UHFFFAOYSA-N 268.404 3.757 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc(O)cc1 797278704 PBDHBHITVLEQFE-POHAHGRESA-N 268.312 3.605 30 20 CHED CC(=NNc1c(Cl)cc(F)cc1Cl)c1ncc[nH]1 790169815 BKBBHTKZNVONMW-UHFFFAOYSA-N 287.125 3.692 30 20 CHED N#CC[C@@H](CC(=O)Nc1cccc(Cl)n1)c1ccccc1 796745937 SYPQRLCUGMYLTE-ZDUSSCGKSA-N 299.761 3.761 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCO2)c(C(F)(F)F)c1 133469389 ZYGWPERISXOCOD-LLVKDONJSA-N 284.281 3.558 30 20 CHED Cc1cccc(C2=CCN(CC3(C#N)CC3)CC2)c1C 1308146836 NVYHSZRCKUZCIO-UHFFFAOYSA-N 266.388 3.696 30 20 CHED COC(=O)c1ccc(C=NOC/C=C/c2ccccc2)cc1 1317780435 WGUBMQIOVZYNCQ-WQLLGHIXSA-N 295.338 3.537 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 76070292 UHOKBXOYOOGRQS-CVEARBPZSA-N 274.433 3.664 30 20 CHED N#Cc1ccc(CN[C@H]2CCSc3ccccc32)s1 135670846 LKBSMJMAKBPAGQ-AWEZNQCLSA-N 286.425 3.946 30 20 CHED CC(C)C(=NNc1nncc(N)c1Cl)C1CCCCC1 1319751439 MPWZSUBHSADIIS-UHFFFAOYSA-N 295.818 3.716 30 20 CHED CCCCCCCCCN1CCC[C@@H](C(=O)O)C1 59265878 RRMPICIRDBKXQW-CQSZACIVSA-N 255.402 3.534 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2ccco2)c1 83201391 LVTJKLKOVXUGPM-CMDGGOBGSA-N 256.301 3.965 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)c(F)c1 1320044888 JKMYDEUOQRFTQB-WDEREUQCSA-N 279.746 3.573 30 20 CHED C=CC[C@@H](CC)NC(=O)c1c(C)[nH]c2ccc(OC)cc12 1321325545 MOKKYRLKWMHCHX-GFCCVEGCSA-N 286.375 3.569 30 20 CHED CCN(Cc1c(F)cccc1Br)C[C@H](C)C#N 93169391 SDJAEDNZEUNSRZ-SNVBAGLBSA-N 299.187 3.570 30 20 CHED C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 224399175 SUMWSWMTGMJKIL-UWVGGRQHSA-N 256.271 3.550 30 20 CHED C=CCCC(C)(C)CNc1nc(Cl)c(C(=O)O)s1 704019769 YUAXRWOXUQMXCR-UHFFFAOYSA-N 288.800 3.899 30 20 CHED N#Cc1ccc(NCCCCOc2ccccc2)c(F)c1 1321334450 MMZFBOVVXBOVOA-UHFFFAOYSA-N 284.334 3.968 30 20 CHED CCCOC(=O)N(CC(C)C)c1ccc(C#N)cc1 1328819438 MVEWVUIATPQABJ-UHFFFAOYSA-N 260.337 3.567 30 20 CHED C=CCOc1ccc(-c2nnc(C(C)(C)C)o2)cc1OC 1322313225 SGLILPIMJHXNDR-UHFFFAOYSA-N 288.347 3.608 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCC[C@@H](F)C1 564906464 XGYSCZPZRCKBIC-NXEZZACHSA-N 287.260 3.665 30 20 CHED CC(C)OC1(CNc2ncc(C#N)cc2F)CCCCC1 1185702502 XTZNZDKLTHABIC-UHFFFAOYSA-N 291.370 3.632 30 20 CHED C#CCCCNC(=O)Nc1ccc(C)c(Cl)c1Cl 1338872411 KBLCKSUQXICFKK-UHFFFAOYSA-N 285.174 3.837 30 20 CHED C#CCOc1ccc(NC(=O)CCCCCC)cc1 730981502 SGBCXALLCQNSAE-UHFFFAOYSA-N 259.349 3.608 30 20 CHED N#Cc1ccc(CNc2cccc3ccncc23)cc1 94966863 VQJOYJAQYWWGIF-UHFFFAOYSA-N 259.312 3.719 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)Cc1ccccc1Cl 1339067911 RJOQJTKJCLEXGF-JSGCOSHPSA-N 292.810 3.669 30 20 CHED CC(C)(C)c1ccc(NN=C[C@@H]2CCc3ccccc32)nn1 1253646186 ASELPASSTLZCPB-AWEZNQCLSA-N 294.402 3.902 30 20 CHED Cc1cscc1-c1noc(-c2cccc(C#N)c2C)n1 1261164608 XIBFJILZWLVYCV-UHFFFAOYSA-N 281.340 3.954 30 20 CHED CC1(c2nnc(COc3ccc(C#N)cc3)o2)CCCCC1 1333096022 SDAJCDMYNRHKMH-UHFFFAOYSA-N 297.358 3.742 30 20 CHED COc1cccc([C@H]2CCCN2c2cc(C)cc(C#N)n2)c1 1336671562 AMZLAPDSPNZJLI-QGZVFWFLSA-N 293.370 3.612 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)C1CCCC1)c1cccc(Cl)c1 1350304427 IBZYOJYVBBNTIB-NHYWBVRUSA-N 290.794 3.642 30 20 CHED CC(C)C(NC(=O)c1cccc(SCC#N)c1)C(C)C 1518305686 CDIGYQYADGOGMY-UHFFFAOYSA-N 290.432 3.713 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)[C@@H](C#N)c1cccc(F)n1 1516767636 OEUNFQYDVGRAIE-RYUDHWBXSA-N 276.355 3.859 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1cc(Cl)ccc1F 1521172565 LPWKYQGJSGLDPI-SECBINFHSA-N 282.746 3.596 30 20 CHED C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1cccs1 1523012705 UUJIJIOODFASPX-OCCSQVGLSA-N 284.384 3.623 30 20 CHED C=C[C@H](C(=O)NC(C)(C)c1c(C)noc1C)c1ccccc1 1520169387 NLKXACUMVQNJMX-HNNXBMFYSA-N 298.386 3.613 30 20 CHED CC(CSC(C)(C)C)=NNc1cccc(F)c1C(=O)O 1609750622 ZDNUEIIHWAIEGW-UHFFFAOYSA-N 298.383 3.843 30 20 CHED CC[C@H](NCC(C)(C)CCC#N)c1ccc(C(=O)O)cc1 1609932180 FMSAQJNABBGBKZ-HNNXBMFYSA-N 288.391 3.755 30 20 CHED N#Cc1ccccc1SCc1cc(C(=O)O)ccc1F 1608221352 FZADXVWOYBBHHH-UHFFFAOYSA-N 287.315 3.688 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc(C#N)c1 1470212064 SCIOKEJPQWNFRC-UNEWFSDZSA-N 299.418 3.745 30 20 CHED C#CCN(Cc1ccc(C(F)(F)F)cc1)C(C)C 917074042 NWOIMBKLPJHPCP-UHFFFAOYSA-N 255.283 3.549 30 20 CHED CC[C@H](NC(=O)Nc1sccc1C#N)[C@@H]1CC1(C)C 1626076959 WPCOAHNAIUFMLR-QWRGUYRKSA-N 277.393 3.566 30 20 CHED CC[C@H]1CCCC[C@@H]1CNc1nccc(C)c1C#N 1639973354 XUPFVWLUKKVRLL-UONOGXRCSA-N 257.381 3.890 30 20 CHED Cc1nc(N[C@H](C)c2ncccc2F)c(Cl)cc1C#N 1559262056 YGDBACLBTMDVBX-SECBINFHSA-N 290.729 3.622 30 20 CHED N#Cc1cccc(CC(=O)Nc2ccccc2C(F)F)c1 1584390067 ZLGYVONWWXVICG-UHFFFAOYSA-N 286.281 3.677 30 20 CHED C=CC(C)(C)CCCNCc1ccsc1C(=O)O 1588673300 QDSIXLLQPKUEJQ-UHFFFAOYSA-N 267.394 3.528 30 20 CHED N#Cc1ccc(CCOc2cccc(Cl)c2F)cc1 1656470772 QJOPLPWNDUGLKI-UHFFFAOYSA-N 275.710 3.972 30 20 CHED C/C=C\c1ccc(Oc2ncc(C#N)cc2F)c(OC)c1 1654872386 ANFORTBCCSKSCD-ARJAWSKDSA-N 284.290 3.926 30 20 CHED C=CCCC[C@H](N[C@@H]1CC[C@@H](C(=O)O)C1)c1ccccc1 1588797757 LIOFBNICDNZCER-ZACQAIPSSA-N 287.403 3.927 30 20 CHED CC(C)[C@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1583323742 KRMZMSDLOGMFFQ-LBPRGKRZSA-N 288.391 3.966 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC/C=C/c2ccccc2)C1 1776156556 VJWNBSVAZLKTSW-NJGYHNCTSA-N 299.414 3.833 30 20 CHED CC(C)c1cc(O)cc(C=NNc2ccc(C(=O)O)cc2)c1 1776013663 JYLGFXAMROFTAE-UHFFFAOYSA-N 298.342 3.660 30 20 CHED O=C(O)c1ccc(NN=C2CC(C3CCC3)C2)cc1F 1776076362 KLWVRHFFKJCEJH-UHFFFAOYSA-N 276.311 3.502 30 20 CHED C=C[C@@H]1CCCN([C@H](C(=O)O)c2cccc3ccccc23)C1 1776150516 UKGQIAQUGNWYAF-KDOFPFPSSA-N 295.382 3.864 30 20 CHED CC[C@H](NN=C(CC1CCCC1)CC1CCCC1)C(=O)O 1776067885 MQRUZXWPFZLZSL-INIZCTEOSA-N 294.439 3.956 30 20 CHED C=C(C)CNC(=O)[C@@H](SCc1ccccc1)C(C)C 161282690 DZKLSVXIMHGRJR-HNNXBMFYSA-N 277.433 3.637 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)c2ccccc2)c1 169406772 MJMVFOOLLYSGEY-ZSAINHDTSA-N 255.317 3.581 30 20 CHED C=CCNC(=O)Nc1ncccc1O[C@@H](C)c1ccccc1 163256274 CNRKEVSPGINGOZ-ZDUSSCGKSA-N 297.358 3.529 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)c1ccc([N+](=O)[O-])c(C#N)c1 165305405 SXZCGWQHRZRCDG-LLVKDONJSA-N 299.305 3.803 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)CCCO)cc1 168307862 NCOFHAXNQBLQSS-UONOGXRCSA-N 297.826 3.630 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 151589992 QAXVNULQCJMANT-UHFFFAOYSA-N 296.374 3.507 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Cc1cccc(Cl)c1 152281481 OWHONLLUOKUASQ-NEPJUHHUSA-N 265.784 3.599 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCC(=O)C[C@@H]1C 156427017 AUYIHMWREILSIY-YOEHRIQHSA-N 291.435 3.587 30 20 CHED C=CCCCOC(=O)Cc1c[nH]c2c(C)cccc12 157928595 DFKBTNOBWMDZPS-UHFFFAOYSA-N 257.333 3.528 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1C 209183136 RYAPHJHDZXNWTQ-HJWRWDBZSA-N 252.313 3.905 30 20 CHED CCOc1ccc(OCc2ccc(C#N)cc2)cc1 11834296 UHBWLHRUGPMDFT-UHFFFAOYSA-N 253.301 3.536 30 20 CHED Cc1ccc(CN(C)Cc2cc(C#N)ccc2F)s1 102773796 DVLJJEJVEURAPT-UHFFFAOYSA-N 274.364 3.699 30 20 CHED C=CCSCCNCc1cccc(OC(F)(F)F)c1 222054706 XHRCJGAOWFDLJI-UHFFFAOYSA-N 291.338 3.594 30 20 CHED N#Cc1cccc(-c2nc(-c3ccccc3Cl)no2)c1 113734094 RBYUNOOGRJAHKR-UHFFFAOYSA-N 281.702 3.929 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 127610255 DGFXYCCTAQJXOG-YGRLFVJLSA-N 296.823 3.629 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCc1cc(C#N)cs1)C2 129108136 WARAKDFBHBQODO-BJJXKVORSA-N 274.433 3.924 30 20 CHED CN(Cc1cscn1)c1ccc(C(F)(F)F)cc1C#N 42868912 SNDPZRQWRKQWGY-UHFFFAOYSA-N 297.305 3.670 30 20 CHED CC(C)(C)CC(=O)Nc1ccc(Cl)c(C#N)c1 48824232 KBFNPYYHJRISFS-UHFFFAOYSA-N 250.729 3.586 30 20 CHED C=C(Br)CN(C)[C@@H](C)Cc1cccs1 308563195 GKSBMHLUBRGPEA-JTQLQIEISA-N 274.227 3.520 30 20 CHED CCc1occc1C(=O)Nc1ccc(Cl)c(C#N)c1 430113203 IRSPNTLGRGGIJO-UHFFFAOYSA-N 274.707 3.619 30 20 CHED C=C(C)COCCN[C@H](C)c1cc(Cl)ccc1OC 90450957 UUPSTEUNQKZAMQ-GFCCVEGCSA-N 283.799 3.592 30 20 CHED C=C(C)COCCNc1ccc(C(F)F)cc1[N+](=O)[O-] 380387862 WAIWZIGHBWCVDD-UHFFFAOYSA-N 286.278 3.537 30 20 CHED CC(C)(NCc1ccc(F)c(C#N)c1)c1ccccc1 383500114 ZQSXJFBSUXOSLA-UHFFFAOYSA-N 268.335 3.722 30 20 CHED N#CCCC1CCN(Cc2ccc(Cl)cc2)CC1 399267553 BLZMOGCTJMLQSE-UHFFFAOYSA-N 262.784 3.856 30 20 CHED C[C@H]1C[C@@H](C)CCN(Cc2ccc(C#N)cc2F)C1 355131575 JAQYPOIVWLCERA-STQMWFEESA-N 260.356 3.565 30 20 CHED C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1 424111278 ADLUYQBSOTWMEX-DQYPLSBCSA-N 254.377 3.645 30 20 CHED C=CCSc1nnc(Nc2ccc(OC)cc2)s1 6621796 UKGHZIDJISYMNA-UHFFFAOYSA-N 279.390 3.568 30 20 CHED N#Cc1ccc(CN(Cc2cccnc2Cl)C2CC2)cc1 171080385 FLKZBSPMASTCAU-UHFFFAOYSA-N 297.789 3.771 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CCC1 464822861 NXTZMZOCGLSPAP-SJORKVTESA-N 254.377 3.558 30 20 CHED C[C@H](NC(=O)C[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 26111659 CHWIEYOWCJCEEP-CABCVRRESA-N 292.382 3.929 30 20 CHED CC(=O)Nc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1C 118443177 LSYSZSHMERRTFG-CYBMUJFWSA-N 293.370 3.998 30 20 CHED COc1ccccc1C(C)(C)NCc1cc(C#N)ccc1F 103484131 QMDITCXTKVEKBE-UHFFFAOYSA-N 298.361 3.731 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 56212325 FVBKHJVUYRGPAF-UHFFFAOYSA-N 294.354 3.906 30 20 CHED C=CCN(Cc1nnc(CC)o1)Cc1ccc(Cl)s1 54115783 VDVVTRIWSCBTGI-UHFFFAOYSA-N 297.811 3.535 30 20 CHED COc1ccccc1[C@H](C)Nc1ccc(OCC#N)cc1 20126463 ANDLDGDOAAYEHV-ZDUSSCGKSA-N 282.343 3.771 30 20 CHED CCSCCCNc1ccc(Cl)cc1C#N 300919366 KXQJHLASHOUBEW-UHFFFAOYSA-N 254.786 3.767 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)CSC 303475963 RUJRPONPIHRCFE-CYBMUJFWSA-N 269.454 3.580 30 20 CHED C=CCCCNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 303807856 HXEGUDHHPPPJPD-HOTGVXAUSA-N 288.435 3.674 30 20 CHED C=C(C)CCN1CCC[C@@H]1c1ccc(OC)c(OC)c1 352096369 FDARICJLQYXIDO-OAHLLOKOSA-N 275.392 3.807 30 20 CHED C=CCCCC(=O)NCCOc1ccccc1C(C)C 175628502 RCBXDFNJEMQXLC-UHFFFAOYSA-N 275.392 3.661 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 119973973 MALQWHXYUQZMSO-WMLDXEAASA-N 270.376 3.862 30 20 CHED CC[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H](C)O1 301618878 LIMWCSANTXMGOX-ZWNOBZJWSA-N 298.308 3.581 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1cccc2ccccc12 23676632 DCCNSLXGMHLSQP-LSDHHAIUSA-N 277.371 3.934 30 20 CHED C=CCC[C@@H](C)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 230661199 LUUKIVWACPRFFX-HUUCEWRRSA-N 296.455 3.578 30 20 CHED CCCN(CCOc1ccccc1)Cc1ccc(C#N)cc1 61001918 IDFKRAUBTIODLA-UHFFFAOYSA-N 294.398 3.849 30 20 CHED N#Cc1cnc2ccccc2c1N1CCC2(CCC2)CC1 308718891 AIEABUMGXFYLBY-UHFFFAOYSA-N 277.371 3.877 30 20 CHED C=CCOc1ccc(C(=O)NC(C)(C)CCC)cc1 65041594 IZOULUXBRGBZCL-UHFFFAOYSA-N 261.365 3.560 30 20 CHED C=CCc1cc(CN(C)Cc2ccccc2)c(O)c(OC)c1 125114290 XBYQYGUAPZINPO-UHFFFAOYSA-N 297.398 3.761 30 20 CHED CC(C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 127988257 NSKVXHDGTIOWSO-ZDUSSCGKSA-N 287.363 3.729 30 20 CHED CCCCCOc1ccc(C(=O)N[C@](C)(C#N)CC)cc1 127499167 ZSFAVFWHAWOHJD-KRWDZBQOSA-N 288.391 3.678 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1cccs1 75434426 XTWLYRAPXVKOBL-UHFFFAOYSA-N 298.411 3.599 30 20 CHED C=CCC1(C(=O)N(C)[C@@H](CC)CSC)CCCC1 410666304 ZAKWEDMBJOAGRM-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED C[C@H](N[C@H](C)Cc1ccccc1F)c1ccc(C#N)cc1 128559062 JTUCHJMASDBZAN-KGLIPLIRSA-N 282.362 3.979 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](c1ccccc1)C(C)C 509103198 LXVKPIAGFFTZOO-GOSISDBHSA-N 292.382 3.994 30 20 CHED C[C@@H]1Cc2sc(NC(=O)C3CC3)c(C#N)c2[C@H](C)C1 411014993 PYEWJXPQVZYRPD-DTWKUNHWSA-N 274.389 3.654 30 20 CHED N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)s1 185148866 LAISWMVFZZRFFN-RHSMWYFYSA-N 298.411 3.630 30 20 CHED COc1ccc(C(=O)/C=C/c2ccccc2C#N)c(F)c1 120726068 IOZAUYZZWWXBFZ-RMKNXTFCSA-N 281.286 3.602 30 20 CHED CC[C@H](CC#N)OC(=O)c1oc2c(C)cccc2c1C 188017033 FIONFTHWHYLKFT-GFCCVEGCSA-N 271.316 3.899 30 20 CHED CC#CCCCC(=O)Nc1ccccc1CC(F)(F)F 185683509 PWCXCYQLJYNLKH-UHFFFAOYSA-N 283.293 3.924 30 20 CHED CCCCCCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 123433650 QSKAFPRFXZTUJR-GFCCVEGCSA-N 269.348 3.710 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cc(Cl)cc(C)c1O 188647533 BVZWCEWEMBXHHS-OAHLLOKOSA-N 297.782 3.521 30 20 CHED Cc1ccc(C[S@@](=O)CCCC(C)(C)C#N)cc1C 129682528 XCURIFSHRJYHRW-LJQANCHMSA-N 277.433 3.882 30 20 CHED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCCCC#N 76810348 ZVLBKAUWHKDUNS-UKRRQHHQSA-N 260.356 3.697 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)CCc1ccccc1F 79866998 FPXWIHDNSDUKJU-CQSZACIVSA-N 290.382 3.545 30 20 CHED CC#CCCCC(=O)NCCCc1cccc(Cl)c1 185331451 CESCBIKNYWTILX-UHFFFAOYSA-N 277.795 3.582 30 20 CHED CCSCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 336803836 ZXLQSOUEBDANQQ-CVEARBPZSA-N 274.433 3.511 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 188498806 WNIQCOVAJFJBBD-YXJHDRRASA-N 271.404 3.993 30 20 CHED C[C@@H]1CC(C(=O)N(C)Cc2ccc(C#N)cc2)C[C@H](C)C1 182939297 NAEGBTVIGGGABF-VMZNBEPHSA-N 284.403 3.589 30 20 CHED CC(C)[C@@H](C)N(C(=O)/C=C/c1cccc(C#N)c1)C1CC1 78784790 ZOBPBHGADBNYCU-DNGMOHDESA-N 282.387 3.607 30 20 CHED C=C(Cl)CNC(=O)C1CCC(CCCC)CC1 134821845 PANDATKNZLSBGF-UHFFFAOYSA-N 257.805 3.852 30 20 CHED N#Cc1cccc(N2CCCC3(CCCCC3)C2)n1 339217836 KTTQQPXPWOYPGW-UHFFFAOYSA-N 255.365 3.504 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC2(CCOCC2)CC1 286814084 WIYSGRDOVGQOTQ-UHFFFAOYSA-N 290.794 3.609 30 20 CHED Cc1ccc2cccc(C(=O)Nc3ccc(C#N)cc3)c2n1 78058093 CMGCTCHHAZCPMB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC[C@H](c1ccccc1)N(CC)C(=O)NCC1(C#N)CCC1 419636888 FBJUXBSLHUSYHY-MRXNPFEDSA-N 299.418 3.863 30 20 CHED N#Cc1ccc(CNc2ccc(Br)cc2)s1 135511842 BGKOXRZWBSOXGE-UHFFFAOYSA-N 293.189 3.994 30 20 CHED N#CCc1cccc(C(=O)Nc2cccc3c2CCCC3)c1 42201185 BWUTXLYSWZEBGM-UHFFFAOYSA-N 290.366 3.884 30 20 CHED Cc1cccc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)c1 48985081 MXSKKSHHWNCEMI-HJWRWDBZSA-N 268.360 3.912 30 20 CHED CCN(Cc1c(Cl)cccc1Cl)C[C@@H](C)C#N 42324037 KXSHSYXCOQBYNR-JTQLQIEISA-N 271.191 3.975 30 20 CHED N#Cc1cccc(CNC(=O)c2cc3ccccc3s2)c1 45214693 SZQMJRQMMDQSEZ-UHFFFAOYSA-N 292.363 3.703 30 20 CHED N#Cc1ccccc1/C=C/c1ncc(Br)s1 193051116 NLGZEUMIWPKULQ-AATRIKPKSA-N 291.173 3.948 30 20 CHED CC(=O)Nc1ccc(C)c(N[C@H](C)c2cccc(C#N)c2)c1 193018486 PVIJDITYKMALIK-CYBMUJFWSA-N 293.370 3.998 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2c(Cl)cccc2n1C 500379316 NCAPQALRJBQKIJ-UHFFFAOYSA-N 291.782 3.768 30 20 CHED N#Cc1ccc(OCc2nnc(-c3ccccc3)s2)cc1 193517055 DZZJUBZDJVLUEJ-UHFFFAOYSA-N 293.351 3.656 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(Cl)c1Cl 136182039 OTUAGDMSJSTEPR-GFCCVEGCSA-N 271.147 3.872 30 20 CHED C=CCC(CC=C)C(=O)NCCc1c(C)[nH]c2ccccc12 130064635 GVIRLZGYRLQYLK-UHFFFAOYSA-N 296.414 3.903 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1ccc(SC)cc1 41742099 IJDNQVKZLZYIQF-LLVKDONJSA-N 280.462 3.510 30 20 CHED CC[C@@H]1CCCN(C(O)=Nc2nccn2-c2ccccc2)C1 328727901 DMTZRJCVKGAMJQ-CQSZACIVSA-N 298.390 3.540 30 20 CHED CCC(CC)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425125115 GGWUPIDALYNHAX-ZDUSSCGKSA-N 272.392 3.904 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1occc1C 45404406 FSRQFMJWRWGQSN-UHFFFAOYSA-N 282.343 3.512 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 510322607 VDNOYEJCXRYCDY-MEBBXXQBSA-N 293.436 3.558 30 20 CHED C=CCCC[C@@H](C)N[C@@H]1CCc2cccnc2CC1 421835399 MLDZZSZKGBFSJH-GDBMZVCRSA-N 258.409 3.663 30 20 CHED C[C@H](N/C(O)=N/CC1(C)CCCCCC1)[C@@H]1CCCOC1 329390187 SDQBAOQNKPHNAN-LSDHHAIUSA-N 296.455 3.666 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 425634072 VOHUNJFYOYQAGV-LXTVHRRPSA-N 291.439 3.535 30 20 CHED C=CCC1(c2nc(-c3cccc(C(=O)OC)c3)no2)CCC1 191314746 LPZFNOFMWDIZPU-UHFFFAOYSA-N 298.342 3.521 30 20 CHED CC(C)(CNc1ccc(C#N)cc1)Oc1ccccc1 513749988 ZCYCDFULWLLKIS-UHFFFAOYSA-N 266.344 3.828 30 20 CHED Cc1c(NC(=O)[C@H]2CC3CCC2CC3)ccc(C#N)c1C#N 421553625 DUGKDJJXPNSALX-PIMMBPRGSA-N 293.370 3.503 30 20 CHED COc1cc(OCc2ccc(SC)cc2)ccc1C#N 618102128 DRRNDZOBOCIQPL-UHFFFAOYSA-N 285.368 3.868 30 20 CHED CC(C)(C)Oc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 85437167 QXEXBCAUYCWPGL-CQSZACIVSA-N 288.391 3.532 30 20 CHED CC(C)c1ncc(/C(O)=N/C2(CCO)CCCCC2)s1 330948643 GVWQBDZXZQJJEL-UHFFFAOYSA-N 296.436 3.656 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc3c(c2)CCO3)no1 191177114 UTWPSSAAUHHNSA-INIZCTEOSA-N 270.332 3.525 30 20 CHED Cc1cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)no1 336337130 JVFCFLUWISKMIX-LRDDRELGSA-N 281.359 3.583 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 424712588 SHPXJBQWFKJNIU-KBPBESRZSA-N 259.393 3.897 30 20 CHED N#C[C@H]1CCC[C@H](NCC2(Sc3ccccc3)CC2)C1 192850474 QLHZAQNDANRKDG-GJZGRUSLSA-N 286.444 3.983 30 20 CHED CCc1noc(C)c1/C(O)=N/CC1(CC)CCCC1 330993170 LBNYLHMAGGWNLC-UHFFFAOYSA-N 264.369 3.820 30 20 CHED Cc1cc(C#N)ccc1CSc1nc(C)c(C)o1 230224672 HZGTZXPDBSEZDQ-UHFFFAOYSA-N 258.346 3.764 30 20 CHED C=CCN1CCC(N[C@@H](CCC(C)C)c2ccoc2)CC1 428227619 SKUBNRACPDUADH-SFHVURJKSA-N 290.451 3.997 30 20 CHED N#Cc1cc(Br)ccc1NCc1ccccc1 96731014 DQSUEJRGJIMKMU-UHFFFAOYSA-N 287.160 3.933 30 20 CHED COc1ccccc1Sc1snc(Cl)c1C#N 92623607 BKTMSNITYXOKFX-UHFFFAOYSA-N 282.777 3.828 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC(C)(C)[C@H]2C2CC2)c1 333710589 SVKNBMSLNYRKBN-OAHLLOKOSA-N 283.375 3.519 30 20 CHED CC1(C#N)CCC(NCc2cccc3cc[nH]c23)CC1 334678450 LNFKEOZJBNBCJO-UHFFFAOYSA-N 267.376 3.730 30 20 CHED CCCC[C@@H](CC)CNCc1cc(C#N)cs1 93492048 XJKXWZLZOFMOCK-GFCCVEGCSA-N 250.411 3.926 30 20 CHED COC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(C)C 514982646 HCEAEBHBJBJMEF-ZWKOTPCHSA-N 286.419 3.586 30 20 CHED N#CC1(C(=O)Nc2cccc3ccncc23)CCCCC1 94820525 WCLMNPUJLCNSBY-UHFFFAOYSA-N 279.343 3.647 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc2ccc(C)nc12)OCC 339198853 YTTLUHMMCFEQOO-MRXNPFEDSA-N 298.386 3.853 30 20 CHED CCc1ocnc1/C(O)=N/CC1CCC(CC)CC1 330849787 MUVJJPJIZYVAKJ-UHFFFAOYSA-N 264.369 3.758 30 20 CHED N#Cc1ccc(-c2nc(-c3nccc4ccccc34)no2)cc1 336870646 BHRUBPRHCGAVAU-UHFFFAOYSA-N 298.305 3.823 30 20 CHED N#Cc1ccn(Cc2cc(Cl)cc3cccnc23)c1 339196772 UZQDMIKCOIAKEB-UHFFFAOYSA-N 267.719 3.610 30 20 CHED C=CCNC(=O)[C@H](C)Nc1ccc2oc3ccccc3c2c1 514731987 XSRQCRHGLHXJLO-LBPRGKRZSA-N 294.354 3.689 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCC)CCCC 437796966 IHWXETHVSFNSTO-JYJNAYRXSA-N 296.455 3.626 30 20 CHED Cc1ccccc1C(C)(C)CNC(=O)C1(C#N)CCCCC1 330402848 PAUPBRCFYDDSNK-UHFFFAOYSA-N 298.430 3.863 30 20 CHED Cc1ccsc1CNCc1ccc(O[C@@H](C)C#N)cc1 237703491 GTPDGHJKOZQOFE-ZDUSSCGKSA-N 286.400 3.637 30 20 CHED CCc1ccc(N/C(O)=N/[C@@H](C(C)C)C(C)(C)O)cc1C 331192932 XSTDVLXIBJKMQU-HNNXBMFYSA-N 292.423 3.679 30 20 CHED N#C[C@@H](NC(=O)c1cc[nH]c1C1CC1)c1ccccc1Cl 339954458 BOLGNJKJULOXKC-CQSZACIVSA-N 299.761 3.540 30 20 CHED Cc1noc(C)c1[C@@H](C)Nc1ccc2cc(C#N)ccc2n1 92897922 IXLFSJOVRWAERN-SNVBAGLBSA-N 292.342 3.884 30 20 CHED COc1ccc(C)cc1CS[C@@H]1CC[C@@H](C#N)C1 439266704 RBNAJCZDDUCSFG-TZMCWYRMSA-N 261.390 3.929 30 20 CHED CC1(CC(=O)Nc2nc3c(cc2C#N)CCCC3)CCCC1 332158608 UUWAFHZXUJYQQE-UHFFFAOYSA-N 297.402 3.741 30 20 CHED C[C@H](CNc1ccc(C#N)c(Cl)c1)c1nccs1 230608137 ZFHAALQIICBXFL-SECBINFHSA-N 277.780 3.884 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(COC)c(C#N)c1 529815643 FEGLCMWGNKXKQJ-LBPRGKRZSA-N 288.391 3.715 30 20 CHED CCc1nc(CSc2ccc(C#N)cc2)cs1 346806769 KZVJHJKESHROEH-UHFFFAOYSA-N 260.387 3.869 30 20 CHED Cc1nsc(NC[C@H]2CCO[C@@H]2c2ccccc2)c1C#N 343023389 HNAAJEXGIZQFIV-UKRRQHHQSA-N 299.399 3.513 30 20 CHED C=CCCCSc1nccn1-c1cccc(OC)c1 605076474 IBLOOHWEWGAWLL-UHFFFAOYSA-N 274.389 3.939 30 20 CHED C=CCOc1cccc(NC(=O)N(CC)C2CCC2)c1 349515047 LRYINXPGYCFFMJ-UHFFFAOYSA-N 274.364 3.658 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCSC(C)(C)CC1 434709687 YACXEIBGBPNTLG-ZDUSSCGKSA-N 274.433 3.837 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H](C)C(C)(C)C 523714488 GOWGDFQRMKWSHP-ZDUSSCGKSA-N 275.392 3.550 30 20 CHED CCc1nc(S[C@H](C#N)C2CC2)c2ccccc2n1 601084845 FWWNXUNOKYMEBQ-CYBMUJFWSA-N 269.373 3.586 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)Cc1cccc(C#N)n1 602665754 UPXDEKKVSFVTAN-SFHVURJKSA-N 295.386 3.545 30 20 CHED CSCc1ccc(CNc2c(C#N)cccc2C#N)cc1 343960058 QKOYARXMPINTTN-UHFFFAOYSA-N 293.395 3.905 30 20 CHED COc1cc(C)c([C@@H](C)N(C)[C@H](C)CC#N)cc1C 602460770 CCJGEBQJSWSROJ-ZIAGYGMSSA-N 260.381 3.607 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H]1CCc2ccc(Cl)cc21 342575319 YXVGAEPQOUOTNE-QMTHXVAHSA-N 295.835 3.751 30 20 CHED CCCCc1ccc(CC(=O)N[C@@H](C#N)CC(C)C)cc1 608821510 SZAGLJFQXXZCGF-QGZVFWFLSA-N 286.419 3.626 30 20 CHED COc1cc(CNc2ccc(C#N)cc2)ccc1Cl 600849192 LCOUMJJKJGZJAM-UHFFFAOYSA-N 272.735 3.832 30 20 CHED N#Cc1cc(NC(=O)CCC2CCC2)nc2ccccc12 345006562 FSGXKDIJTPUZLX-UHFFFAOYSA-N 279.343 3.625 30 20 CHED C[C@@H](CCC#N)CNCC1(N(C)Cc2ccccc2)CCC1 602674016 DDHHIRLPJULLTH-KRWDZBQOSA-N 299.462 3.571 30 20 CHED C[C@@H](CCC#N)CN1CCO[C@H](c2cccc(F)c2)[C@H]1C 602696154 ILTWBAOTHBHMQS-VBQJREDUSA-N 290.382 3.527 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccs2)CCCC1 449082619 OOWBSGRBXRKGCC-UHFFFAOYSA-N 263.406 3.843 30 20 CHED N#Cc1ccccc1SCc1cnoc1C1CC1 358569449 LYJAUYYRNRDSSL-UHFFFAOYSA-N 256.330 3.716 30 20 CHED C=CC[C@H]1N(Cc2ccc(C)cn2)CCCC1(C)C 444787802 SHMVGOVCTWFGSP-MRXNPFEDSA-N 258.409 3.957 30 20 CHED C=CCN(C(=O)c1cnc(Cc2ccccc2)s1)C1CC1 357514823 XCWWNXOUIHVRFY-UHFFFAOYSA-N 298.411 3.525 30 20 CHED CC[C@H]1c2ccsc2CCN1CC1(CC#N)CC1 602762474 JHBFPFJPGKCHTJ-ZDUSSCGKSA-N 260.406 3.751 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc2nccnc2c1 602464958 IMSKSKRFXCFBDI-UHFFFAOYSA-N 296.418 3.782 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CC=CCC1 606974765 XGQQVRUQJVQKCQ-OAHLLOKOSA-N 264.413 3.731 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(C)CCCSC 358945316 AGJROVANPJZZLR-CYBMUJFWSA-N 296.484 3.557 30 20 CHED N#CC[C@H](CC(=O)N(CC1CC1)C1CCC1)c1ccccc1 358418885 YAFYITLKZYVUMY-QGZVFWFLSA-N 296.414 3.865 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 444833024 FONGPYWJTCQMMT-GFCCVEGCSA-N 289.354 3.597 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 449898048 OJDIPRLPXHYCJT-FZMZJTMJSA-N 295.810 3.744 30 20 CHED C=CCC[C@@H](NC(=O)C(=O)c1ccccc1)c1ccccc1 350511398 KGKXMCDRSQELBZ-QGZVFWFLSA-N 293.366 3.693 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(F)cc1NC(C)C 266124011 XGNBZWVIYZBVEY-GFCCVEGCSA-N 294.370 3.566 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(NC3CC3)c2c1 357106743 QFCIQTQMAHYRFZ-UHFFFAOYSA-N 257.724 3.643 30 20 CHED C=CCCSc1nnc(CCCc2ccccc2)o1 266216757 CNEOGVXSFXGEIB-UHFFFAOYSA-N 274.389 3.913 30 20 CHED N#Cc1ccc(CNC2(Cc3ccc(F)cc3)CC2)s1 449567827 WHWUNRVOBAGLIK-UHFFFAOYSA-N 286.375 3.624 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 612251734 RTKOWUBSVWEBCO-YFHUEUNASA-N 288.435 3.745 30 20 CHED N#Cc1ccc(CNc2ccc3c(cnn3C(F)F)c2)o1 610959418 ZVGSADKOWGNFDD-UHFFFAOYSA-N 288.257 3.508 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 355390509 GKEJMLQZLSAFJS-GXTWGEPZSA-N 297.402 3.897 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC(F)(F)C1 611475706 AZRJUDVVCMLHDD-ZFWWWQNUSA-N 276.330 3.713 30 20 CHED CCOC(=O)C[C@H](C)SCC#Cc1ccc(Cl)cc1 443418062 RLNGLGSZBRZRQP-LBPRGKRZSA-N 296.819 3.766 30 20 CHED C=CCOCCCS[C@@H](C)C(=O)Nc1cccc(C)c1 359152101 IJTWNMSKXODDLI-AWEZNQCLSA-N 293.432 3.648 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(=O)[nH]ccc3c2)CCCC1 617834314 OUDMXIBIPNUQAL-UHFFFAOYSA-N 296.370 3.603 30 20 CHED C#CCCCCN[C@@H]1CCC[C@H](c2cccnc2)C1 367067162 QIAGMVGSQCXGHY-DOTOQJQBSA-N 256.393 3.501 30 20 CHED COc1cc([C@@H](C)NCCCCC#N)ccc1SC 268913267 OPRLVQCSFYVBMA-GFCCVEGCSA-N 278.421 3.762 30 20 CHED CCCC[C@H](NC(=O)NCC(C)(C)CC#N)C1CCC1 459257082 JOJRBLIOFNUKIW-AWEZNQCLSA-N 279.428 3.584 30 20 CHED CC[C@H](NC[C@@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1 453436682 UTJJPICBTQNFHX-WBVHZDCISA-N 286.419 3.804 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cc(C#N)cs1 611561498 RUEHTYSOQLFBDW-ONGXEEELSA-N 288.338 3.783 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C(C)(C)C)ccc1C#N 619548984 STOLZIFRITUHLO-GDBMZVCRSA-N 299.418 3.644 30 20 CHED C=CCC1(NC(=O)c2ccc(C3CC3)cn2)CCCC1 619107447 AXMFVHQDEBLOJH-UHFFFAOYSA-N 270.376 3.578 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 367867108 ARBUEFYHGBVBIQ-LSDHHAIUSA-N 296.414 3.856 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 454665277 JHKBKVHPHXBDJR-YMTOWFKASA-N 296.773 3.804 30 20 CHED Cc1ccccc1C[C@H]1CCCN1CC1(C#N)CCC1 450402020 BFOXDDBSIMGUGS-QGZVFWFLSA-N 268.404 3.696 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc(CC)n2)CCCC1(C)C 451220643 XPXQLUFGQJHJAI-MRXNPFEDSA-N 286.419 3.851 30 20 CHED C=CCN(C(=O)[C@@H](CC)Oc1ccccc1Cl)C1CC1 544411444 GFBBFGOUORSLOG-CQSZACIVSA-N 293.794 3.674 30 20 CHED C=CCCc1nc(-c2ccc(OC(C)C)cc2)no1 546988979 WGHYXFFDZJXZJD-UHFFFAOYSA-N 258.321 3.642 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2)o1 453369282 TUEKIDNJIPBMRQ-GDBMZVCRSA-N 285.387 3.924 30 20 CHED C=CC[C@H]1N(CC2CCC(=O)CC2)CCCC1(C)C 450871161 QPWRXUDNIVHHGD-MRXNPFEDSA-N 263.425 3.812 30 20 CHED CC1(C)CC=C(C(=O)N[C@@H](C#N)c2ccccc2F)CC1 455417171 RYRGZBDERBQEDO-HNNXBMFYSA-N 286.350 3.643 30 20 CHED C[C@@H](N[C@@H](CCO)C1CCCCC1)c1cccc(C#N)c1 271817266 BVYWIVVRZQVLSM-KDOFPFPSSA-N 286.419 3.540 30 20 CHED C=CCC1(c2nc(C3CC(F)(F)C3)no2)CCC1 453186605 BHXAVTPRSKVQSC-UHFFFAOYSA-N 254.280 3.580 30 20 CHED C=CCCc1noc(-c2ccc(OCC(F)(F)F)cc2)n1 453228486 ABWQGVLQJASPBC-UHFFFAOYSA-N 298.264 3.796 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccn(C(CC)CC)n1 540531304 UAISBUZIYXBSGA-ZDUSSCGKSA-N 277.412 3.719 30 20 CHED C=CCC(CC=C)C(=O)NCC[C@@H]1CCc2ccccc21 452322662 ZZSODHJHKVUAHS-INIZCTEOSA-N 283.415 3.991 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1CCc2ccc(OC)cc21 620857013 JHGODTINRYCJOJ-HNNXBMFYSA-N 287.403 3.586 30 20 CHED COCCOc1ccc(C#N)cc1N[C@@H]1CCC(C)(C)C1 542487830 BBYRDPAAGULXLN-CQSZACIVSA-N 288.391 3.574 30 20 CHED C[C@@H](CCCc1cccnc1)NCc1ccc(F)c(C#N)c1 459648732 VDJGJAXQOXTNOL-AWEZNQCLSA-N 297.377 3.593 30 20 CHED C=CCCc1noc(C[C@@H](C=C)c2ccccc2)n1 453241713 VTNJWKYFFMXCQK-CYBMUJFWSA-N 254.333 3.701 30 20 CHED C=C[C@@H](CC(=O)NCC1CC(C)C1)c1ccccc1 622239237 UIGWLKHHMZNQAD-NRXISQOPSA-N 257.377 3.509 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1c(F)cccc1F 271955381 BXMJVQUIDXSRBU-SNVBAGLBSA-N 252.308 3.555 30 20 CHED C=C(C)CCNC(=O)Nc1cc(-c2ncco2)ccc1C 455026127 QWIVHEJEFOXRTA-UHFFFAOYSA-N 285.347 3.738 30 20 CHED C=CCN(C(=O)[C@@H](CC)CC(F)(F)F)C(C)(C)C 622945357 AVSVMUWQZJZDIK-JTQLQIEISA-N 265.319 3.778 30 20 CHED C=CCCN(C)[C@H](C)c1nc(-c2ccccc2C)no1 276347965 CXQHUOLOHBVDOU-CYBMUJFWSA-N 271.364 3.614 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OCCC)c(OC)c1 627143509 LNMWQEYYTYGVPZ-GFCCVEGCSA-N 292.379 3.570 30 20 CHED N#CCCCNc1ccnc2cc(C(F)(F)F)ccc12 273342517 NYFQGMNYWPLEHZ-UHFFFAOYSA-N 279.265 3.969 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@H]2CCCC[C@@H]12 542040333 DEDZECAHUXJRNG-PVUWLOKVSA-N 272.367 3.708 30 20 CHED CCn1c(C(=O)N[C@](C)(C#N)C(C)(C)C)cc2ccccc21 464157525 FFEICZPUQSTYCO-GOSISDBHSA-N 297.402 3.719 30 20 CHED CCc1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 461736546 ZLTNDRCTOITEHK-CYBMUJFWSA-N 278.355 3.863 30 20 CHED C=CCC(F)(F)c1nc(-c2ccccc2C)no1 551321560 DKHMVJLAEKVKED-UHFFFAOYSA-N 250.248 3.713 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCc1ccccc1F 280916130 SPZCUOKERMCTDM-LESCRADOSA-N 291.410 3.718 30 20 CHED C=CCN(Cc1cccs1)Cc1cc(C)ns1 637871163 JNNFCOVAGZZKNA-UHFFFAOYSA-N 264.419 3.701 30 20 CHED C[C@H]1C[C@H](C)N(Cc2ccc(Br)cc2C#N)C1 383384066 HDLSAUGYJXXGSE-QWRGUYRKSA-N 293.208 3.551 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC(CCC(C)C)CC1 470761455 JKFNUMJMAZNKMG-HNNXBMFYSA-N 281.440 3.642 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CCC1 478949228 GOEZAIXSEGJFIY-DGADGQDISA-N 273.420 3.674 30 20 CHED C=CCN(C)c1nnc([C@@H](C)CC)n1CCc1ccccc1 558945140 PNFRYUPWQVYETC-HNNXBMFYSA-N 298.434 3.657 30 20 CHED N#Cc1sc(N[C@@H]2C[C@H]2Cc2ccccc2)nc1Cl 804504938 UNWGLODTMDAIRL-GHMZBOCLSA-N 289.791 3.711 30 20 CHED N#CCCCCN1CCn2cccc2[C@H]1c1ccccc1 299505663 AEXCEECBTPFSTP-GOSISDBHSA-N 279.387 3.587 30 20 CHED Cc1cccc(CC(=O)N[C@@](C)(C#N)C2CCCCC2)c1 554626762 CZCDMUNFYCBPRO-SFHVURJKSA-N 284.403 3.516 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCCCCC#N 805850547 XBGKNPKLAVZYBP-UHFFFAOYSA-N 287.359 3.803 30 20 CHED COc1cc(/C=C2\C(=O)c3ccccc3[C@H]2C)ccc1O 809158369 ADFPONNHHSLNRX-PDICVPPASA-N 280.323 3.784 30 20 CHED COC(=O)c1c(F)cccc1NN=C[C@H]1CCC[C@H](C)C1 800816508 FKFWMHHAHKDPCC-RYUDHWBXSA-N 292.354 3.836 30 20 CHED CCSCCC/N=C\c1cc(Cl)ccc1O 800720683 FTSPEKQCJJSEJN-ZROIWOOFSA-N 257.786 3.608 30 20 CHED Cc1c(Cl)cnc(N2CCCC[C@@H](C)C2)c1C#N 475739297 MZNRCZQZMCFJMK-SNVBAGLBSA-N 263.772 3.542 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C(\C)c1ccccc1 804831038 CPXWOHGLURRFEA-BMRADRMJSA-N 289.378 3.752 30 20 CHED C#CC[C@H](NC(=O)N[C@H](C)c1ccsc1)c1ccccc1 801045419 ZDUIJSKCADJYHR-CJNGLKHVSA-N 298.411 3.873 30 20 CHED C=CCCCCNC(=O)CCc1ccnc2ccccc12 471709972 WMIZXNLHOXXUSQ-UHFFFAOYSA-N 282.387 3.640 30 20 CHED N#CCCCCNC(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 296295448 JASGFCLTINXBSZ-IAGOWNOFSA-N 299.418 3.563 30 20 CHED C[C@@H](c1noc(-c2ccccc2OCC#N)n1)C(C)(C)C 809413011 FPZXMOHYECZBDZ-NSHDSACASA-N 285.347 3.789 30 20 CHED C=CCC[C@@H](CCC)NCC[C@@H](O)c1ccccc1 809748007 YYRXFLLXZGCRLC-IAGOWNOFSA-N 261.409 3.835 30 20 CHED C=CCN(CC=C)[C@@H](C)C(=O)Nc1ccccc1C(C)C 563316715 WJNQBABLDOFGTN-HNNXBMFYSA-N 286.419 3.811 30 20 CHED N#CCCCCCC(=O)OCc1ccc(OC(F)F)cc1 805695777 IEFRBJZDMMAMHA-UHFFFAOYSA-N 297.301 3.805 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C=C)c1ccccc1)C(C)(C)C 807879503 CTTKASFYAUQPMI-GDBMZVCRSA-N 269.388 3.510 30 20 CHED C=CCCC1(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)CC1 565024701 MSGBXSVDNVIMRU-HNNXBMFYSA-N 284.403 3.738 30 20 CHED C#CCC(C)(C)c1nc(C2(c3ccccc3F)CC2)no1 817100596 IPNYEWSSYHLFTG-UHFFFAOYSA-N 284.334 3.590 30 20 CHED C[C@@H]1CC(=NOC/C=C/Cl)c2c(O)ccc(F)c21 811670140 YKQZOPBIZQTOOQ-JHEQUESKSA-N 269.703 3.512 30 20 CHED C=C(C)CN(C)C(=O)c1cccn1[C@H](C)Cc1ccccc1 482234121 WDMAAVSSPYWMFK-MRXNPFEDSA-N 296.414 3.940 30 20 CHED C#CCON=C(C)[C@@H](C)Oc1ccc(Cl)cc1Cl 812233630 YAQHLOXGTWFURY-SNVBAGLBSA-N 286.158 3.786 30 20 CHED CC#CCN(C)C(=O)c1cc2c(s1)CCCCCC2 578547609 WESJOSCZKGMECJ-UHFFFAOYSA-N 275.417 3.502 30 20 CHED C=CCCCCCCCNC(=O)NCc1ccccc1O 811928041 XNWAQMRCGRYASO-UHFFFAOYSA-N 290.407 3.718 30 20 CHED CSc1ccccc1[C@H](C)OC(=O)c1cccc(C#N)n1 810854706 KQSNTZQTCYXJLF-NSHDSACASA-N 298.367 3.593 30 20 CHED C[C@H]1C[C@@H](C)CN(Cc2ccc(Cl)cc2C#N)C1 480534493 ZBXOSTOANNUJOI-TXEJJXNPSA-N 262.784 3.690 30 20 CHED C=CC1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)CC1 572270183 KUFNJIUJRCGABY-UHFFFAOYSA-N 293.436 3.871 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)SCCCC 489905186 HDCSABNXQAHPSF-LBPRGKRZSA-N 257.443 3.627 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCC[C@@H]1CCC[C@@H](C)C1 815338111 NCJVGXBTTJIBTP-OCCSQVGLSA-N 286.375 3.635 30 20 CHED CC[C@@H](C)Oc1cc(C=NOC/C=C\Cl)ccc1OC 811668948 LCMNKCNRGGQUDC-KTZGLZQJSA-N 297.782 3.976 30 20 CHED CCc1ccc(C#CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 814385961 ILLJURHYWUPDRN-INIZCTEOSA-N 291.394 3.820 30 20 CHED C[C@H](C#N)CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 579763694 GWUKWBZQFBKCLF-GHMZBOCLSA-N 270.298 3.558 30 20 CHED C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)[C@@H](C)[C@H]1C 573942787 ZBTQKJPWHNIKMC-AGIUHOORSA-N 265.360 3.587 30 20 CHED CC(C)(C)CN(CCC#N)c1ncnc2c(F)cccc12 572135381 WRKVRUYSCVZWLR-UHFFFAOYSA-N 286.354 3.535 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccc2c(c1)-c1ccccc1C2 728874263 UAASFQHUANBHEO-CYBMUJFWSA-N 290.366 3.632 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)N1CCC(CCC#N)CC1 572597832 PLRLLLAUQYCQAF-OAHLLOKOSA-N 293.455 3.927 30 20 CHED Cc1ccc(C)c(C=NNCCCOc2ccccc2)c1 729148128 SYEWNNGHNMTQIE-UHFFFAOYSA-N 282.387 3.696 30 20 CHED C[C@@H]1CCC[C@@H](C)C1N[C@H]1CCc2ccc(C#N)cc21 579413552 SBSSTUZDOFXIQT-XNJGSVPQSA-N 268.404 3.960 30 20 CHED C=CCCCCNC(=O)N(C)Cc1cccc2[nH]ccc12 494822541 VPMLEWAOWJAVSX-UHFFFAOYSA-N 285.391 3.666 30 20 CHED C=CCCOc1c(Br)ccc(C)c1F 575334609 XKWMCCTWIOLJJC-UHFFFAOYSA-N 259.118 3.852 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCC[C@H]1C 498120425 CYZMYVRUBQEZNC-GDBMZVCRSA-N 290.407 3.598 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@H]1CCC2(CCCC2)O1 821452367 XXCLBOGBFCKALM-CYBMUJFWSA-N 266.381 3.624 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 491191398 CYTVYTCMDMORRA-LBPRGKRZSA-N 298.308 3.715 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCC#Cc1ccc(F)cc1 581038457 KCAHBUMEYCEOIB-HALDLXJZSA-N 259.368 3.592 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCC1(C#N)CCC1 903033100 PMXCSVZKGUIDQA-QGZVFWFLSA-N 279.387 3.609 30 20 CHED Clc1cccc(OCCCON=C2CCCOCC2)c1 588398103 LDUFYXIZNGCGGW-UHFFFAOYSA-N 297.782 3.682 30 20 CHED C=CC[C@H](NC(=O)CSc1ccccc1)c1ccncc1 734360946 OPABMHSSLXWHOY-INIZCTEOSA-N 298.411 3.607 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C1CCSCC1 493573000 MRYGOPRHWCTTQQ-UHFFFAOYSA-N 281.465 3.725 30 20 CHED C=C(Cl)CNC(=S)Nc1ccc(F)c(Cl)c1 735981526 IMHFPXSQXSIHEN-UHFFFAOYSA-N 279.167 3.518 30 20 CHED N#Cc1ccc(N2CCNc3ccccc3C2)cc1Cl 589559388 ACLQGBCCKUACCT-UHFFFAOYSA-N 283.762 3.644 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(C(F)F)c2)C1 839054072 UYGSMJIARRTQFG-GXFFZTMASA-N 279.286 3.863 30 20 CHED C=C(C)C[C@@H](NC[C@@H](CCC)c1ccccc1)C(=O)O 904033681 VTXOJXHEQLHMDI-HZPDHXFCSA-N 275.392 3.579 30 20 CHED C=C(Cl)CN1CCC(Cc2ccccc2F)CC1 732412345 JLECPZIEIHYSCC-UHFFFAOYSA-N 267.775 3.833 30 20 CHED CCOc1cc(NC(=O)c2ccc(CC#N)cc2)ccc1C 580663371 PDGCCQMVRBRUOO-UHFFFAOYSA-N 294.354 3.712 30 20 CHED C=CC(C)(C)COC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 835723178 PVHQQIDRKWVPHK-KGLIPLIRSA-N 268.397 3.583 30 20 CHED C=CC(C)(C)C(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C 839226368 BCCGYKOSTSNNEV-SECBINFHSA-N 276.307 3.633 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(C)=C(C)C1 908669823 WXUUBYAQIMZMFY-CVEARBPZSA-N 289.419 3.649 30 20 CHED Cn1ccc(C(=O)/C=C\c2ccccc2OC2CCCC2)n1 901543508 OMXJDMOXUGJJFA-KHPPLWFESA-N 296.370 3.638 30 20 CHED C[C@@H]1CCCC1=NNc1cc(C(F)(F)F)ccn1 834984047 LVJVTODJYIAJOD-MRVPVSSYSA-N 257.259 3.688 30 20 CHED Cc1cc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)cs1 834447110 HXCUVZJILSGYTA-VOTSOKGWSA-N 288.416 3.984 30 20 CHED C=CCOC(=O)c1ccc(-c2ccc(F)cc2)cc1F 730058813 XYQILEDOZVJNAE-UHFFFAOYSA-N 274.266 3.975 30 20 CHED CCCCOc1ccc(/C=C2/CCn3ccnc3C2=O)cc1 901531849 NMIDXHIWHAFKJI-SQFISAMPSA-N 296.370 3.732 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C\c1ccc2cc(OC)ccc2c1 735068016 RDTZHAXRHGWACR-SMJHDNPOSA-N 295.382 3.942 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(Cl)c2)C1(C)C 736429068 ORKAODPCONPRLV-CYBMUJFWSA-N 266.772 3.943 30 20 CHED Cc1ccc2[nH]cc(C=NNCc3cc(F)ccc3F)c2c1 735612698 MXYRQKIMSGVAKZ-UHFFFAOYSA-N 299.324 3.878 30 20 CHED CCn1ccnc1C(C)=NNc1ccccc1C(F)(F)F 834916037 TWPRRUDPEAQJIH-UHFFFAOYSA-N 296.296 3.758 30 20 CHED N#Cc1cccc(C(=O)Nc2cccc(Cl)c2Cl)n1 589740457 YIYUIQLEVSTMNJ-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(Cl)cc(Cl)n2)C1 839449753 OTSOSFLEUNWJRC-SCZZXKLOSA-N 299.157 3.628 30 20 CHED CCC#C[C@H](C)Sc1nnc(Cc2ccccc2F)o1 677132868 WHDTVFXEGBVMFO-NSHDSACASA-N 290.363 3.694 30 20 CHED CC1(C)C(c2noc(C3(C#N)CCCC3)n2)C1(C)C 599195487 IOTILIFCBVTSDY-UHFFFAOYSA-N 259.353 3.555 30 20 CHED C=C1CCN(C(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 595460282 XKMOSKUXTLQKOD-YESZJQIVSA-N 293.451 3.642 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1C)C(C)(C)C 593510926 ZBDYUDHPABKKIM-UKRRQHHQSA-N 272.392 3.748 30 20 CHED COc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1F 748677659 QELGYSLNDWJRKJ-NSHDSACASA-N 299.301 3.624 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccccc2OC2CCC2)C1 839055815 RQPMUVLSLSGKNI-ZFWWWQNUSA-N 299.370 3.857 30 20 CHED CC[C@H](C#N)C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 593481875 LMEZVCLXJUOBRB-NVXWUHKLSA-N 284.403 3.989 30 20 CHED N#CCOc1ccccc1C(=O)OCCCC1CCCC1 744853561 DBLYWKIBKVAUOV-UHFFFAOYSA-N 287.359 3.716 30 20 CHED CN1N=C(C2CCCC2)CS/C1=N\Cc1ccccc1 743277224 MCTCPMVTQAOWBJ-MSUUIHNZSA-N 287.432 3.767 30 20 CHED CC(=O)c1cc(F)cc(F)c1OCC1(C#N)CCCC1 916931244 QEHDCKSULVDYPS-UHFFFAOYSA-N 279.286 3.630 30 20 CHED COc1ccc(CCNN=Cc2coc3ccccc23)cc1 746575724 KPYHUMLIBMHXBF-UHFFFAOYSA-N 294.354 3.608 30 20 CHED CCCCCCC[S@](=O)Cc1ccc(Cl)cn1 841729088 VAJIKQIMWWVPJP-KRWDZBQOSA-N 273.829 3.954 30 20 CHED N#CCOc1cccc(OC(=O)c2sccc2C2CC2)c1 841345825 PPPFHUPTUZZGET-UHFFFAOYSA-N 299.351 3.747 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(CCCCC#N)n1 594531753 WECUZMJMQZZMCC-STQMWFEESA-N 261.369 3.990 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc2ccncc12 592763063 UZEZBTRVLMCGIV-UHFFFAOYSA-N 295.386 3.637 30 20 CHED COc1ccnc(NN=C/C=C(/C)CCC=C(C)C)n1 914696624 YVOPDXUYAQHGSH-BYWKLKQTSA-N 274.368 3.576 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 593984934 DMBDFYSDJMQDNY-DAYGRLMNSA-N 298.430 3.822 30 20 CHED COc1ccc(NN=Cc2ccccc2C(C)C)nc1 848409264 RJQKWGKRKMLUPR-UHFFFAOYSA-N 269.348 3.660 30 20 CHED C[C@H](C(=O)OCC1(CC#N)CC1)c1ccc(Cl)cc1 845475670 HQIAQMWPPDYTHZ-NSHDSACASA-N 277.751 3.681 30 20 CHED CCCc1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 743199561 HBMLLCDAHPJYQE-UHFFFAOYSA-N 282.303 3.558 30 20 CHED N#Cc1csc(C=NNc2ccc(Cl)cc2)c1 748074037 CICFGVGOCZHBGY-UHFFFAOYSA-N 261.737 3.719 30 20 CHED C#CCCCC(=O)N1CCC[C@]1(C)Cc1ccccc1F 843668759 KDVORPOGLJEQNG-GOSISDBHSA-N 287.378 3.553 30 20 CHED N#CC1(CC(=O)N2CCC[C@@H]2c2ccncc2)CCCCC1 596704794 DNOVVOXPCUUOBS-MRXNPFEDSA-N 297.402 3.609 30 20 CHED C/C=C/C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915179825 JAPNMJWTWCDWSM-MOESHBJCSA-N 276.339 3.857 30 20 CHED CCc1ccc(-c2ccc(C(=O)N(CC)[C@H](C)C#N)o2)cc1 598357904 DISHZXXHZRQTBH-CYBMUJFWSA-N 296.370 3.883 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c(C)noc1C 743450972 VQLNCFDCEBILLY-LLVKDONJSA-N 251.374 3.574 30 20 CHED C=CCCOCC(=O)N1CCCCc2c(Cl)cccc21 680405869 NGNWVOPZYSSUQC-UHFFFAOYSA-N 293.794 3.602 30 20 CHED C/C(=C\c1ccco1)C(=O)O[C@@H](C#N)C1CCCCC1 847692591 QQEAPVWDOMSFEO-PABFRNLHSA-N 273.332 3.699 30 20 CHED N#C[C@H](C(=O)CC1CCC1)c1nc2cc(F)ccc2s1 744117853 CMQHKDOZBKAIFO-LLVKDONJSA-N 288.347 3.802 30 20 CHED N#CC1(NC(=O)c2ccc(C(F)F)cc2F)CCCCC1 593953525 GETIJXNDLLVBHZ-UHFFFAOYSA-N 296.292 3.720 30 20 CHED C=CCc1ccccc1OCc1cccc([N+](=O)[O-])c1 597197529 FMSVIBFPHRRCRO-UHFFFAOYSA-N 269.300 3.902 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCc1ccc(F)cc1 599884730 BGILRLURHCGPQF-CYBMUJFWSA-N 295.423 3.872 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 593392528 XDVUXSLYWOSZBF-HNNXBMFYSA-N 284.403 3.851 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc(C2=CCCC2)cc1 594091984 QWEPNVXMTFOPLN-INIZCTEOSA-N 268.360 3.628 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C/c2cccc(O)c2O)C1 749007564 JGARPOQEJJTIQR-HBWTURNESA-N 279.405 3.581 30 20 CHED Cc1cc(C)c(C#N)c(NCc2c(C)cccc2F)n1 742422491 YWHRUSDMOIXFJL-UHFFFAOYSA-N 269.323 3.630 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)cc(C)c1O 742437364 UBSCEDOZYSNJMC-UTCJRWHESA-N 294.350 3.935 30 20 CHED C[C@H](/N=C/c1cccc(O)c1O)[C@H](C)c1ccccc1 746817023 VDVVWNPEKXCMHP-ISIGILQNSA-N 269.344 3.709 30 20 CHED C[C@@H](NC(=O)C#Cc1ccccc1)c1ccccc1Cl 747200536 ZDCWYDUFINDARD-CYBMUJFWSA-N 283.758 3.569 30 20 CHED C=CC[C@@H](C(=O)O[C@@H]1CCC(C)(C)C1=O)c1ccccc1 840475357 WUHLBICSXLHDFI-HUUCEWRRSA-N 286.371 3.647 30 20 CHED Clc1cccc([C@@H]2CCCC(=NN[C@@H]3CCOC3)C2)c1 841635736 OZXOZYSFZQDWQC-CZUORRHYSA-N 292.810 3.732 30 20 CHED CCn1ccnc1SCCC1(C#N)CCCCC1 840158721 TUWKPEQULNRGTR-UHFFFAOYSA-N 263.410 3.859 30 20 CHED CCCOc1ccc(/C=C\C(=O)c2cnn(CC)c2)cc1 920991512 LIONJAPXGPOTRQ-YFHOEESVSA-N 284.359 3.588 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNC1CCCC1 756889660 OGADYHZGBIPWAB-UHFFFAOYSA-N 250.773 3.823 30 20 CHED C#CC[C@@H](OC(=O)Cc1cc(C)cc(C)c1)c1ccccn1 853104554 JADSMTIJNGIKQT-GOSISDBHSA-N 293.366 3.549 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CC(C)(C)C#N 928386707 TUFBGWRJJUOOJM-GDBMZVCRSA-N 284.403 3.721 30 20 CHED CCCCCCCNC(=O)N(C)Cc1ccoc1C 858109887 CGPXJZKZRXWFBN-UHFFFAOYSA-N 266.385 3.700 30 20 CHED C=CCCN[C@H](C)c1cc(Br)c(F)cc1O 850502055 JEIAZBLTVLKKNK-MRVPVSSYSA-N 288.160 3.521 30 20 CHED CCCCCCCNC1CCN(C(=O)OCC(C)C)CC1 756883488 PYZXEJWZQAWACH-UHFFFAOYSA-N 298.471 3.803 30 20 CHED CC1(C)C[C@H](OC(=O)CC2(C#N)CCCCC2)C(C)(C)O1 850975604 WXUPMAQHNFYMKB-ZDUSSCGKSA-N 293.407 3.740 30 20 CHED C#CCCCCCC(=O)N1CCOc2ccccc2[C@@H]1C 856487178 QCVLHPZWXCUWFR-HNNXBMFYSA-N 285.387 3.552 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3cc(F)ccc3F)cnc12 757475830 SVTIDJYEJGEDMX-ALCCZGGFSA-N 298.292 3.817 30 20 CHED CCc1ccccc1NN=Cc1ccc(O)c(F)c1 755642568 CXWPSTWXMTVAEQ-UHFFFAOYSA-N 258.296 3.540 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)C1CCC(OC)CC1 851143521 MAQPJCMGOQQDJI-LBDPXKHJSA-N 280.408 3.870 30 20 CHED C#CCC1(C(=O)N2CCC[C@H](CC=C)C2)CCCCC1 855436571 FUAHZBYJUZIRBZ-INIZCTEOSA-N 273.420 3.775 30 20 CHED CC(=NNc1cc(F)cc(Cl)c1)[C@@]1(C)CCCO1 853395766 KBSQNVKYWREWCV-CYBMUJFWSA-N 270.735 3.836 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)CC1CC(OCC)C1 851145082 VFPCHAIGRGDUAR-GYTBAZASSA-N 280.408 3.870 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 753040989 WBDSKUYAOCRYJA-GXSJLCMTSA-N 299.201 3.765 30 20 CHED Oc1cccc(/C=N\[C@@H]2CCc3c(Cl)cccc32)c1O 920178155 OPMCFWYWZGGHPB-BBSXFRJVSA-N 287.746 3.858 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1nncc2ccccc12 751131498 QDMLVLSUBLXCRX-GFCCVEGCSA-N 288.354 3.638 30 20 CHED COc1ccc(C(=O)/C=C/c2nc(Cl)cs2)cc1 759069704 AUFZMDWDTWAAML-VOTSOKGWSA-N 279.748 3.701 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)c2ccc(F)cc2F)c1 752152993 TYMIFTAPZSJNEK-DWOMLUCJSA-N 291.297 3.859 30 20 CHED C#C[C@@H](CC)NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 754373276 IIMCJOXHZAXPNJ-QMMMGPOBSA-N 295.169 3.616 30 20 CHED C=CCC(F)(F)C(=O)N(C)c1ccc(F)cc1Cl 857644771 STZYRSBNHQTMAU-UHFFFAOYSA-N 277.673 3.653 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2c(C)cccc2C1 758472511 LNYOUGAXAPNXJB-UHFFFAOYSA-N 269.388 3.648 30 20 CHED CCCn1nc(C)c(C=NN[C@@H](C)c2ccccc2)c1C 755664324 KGXSOENHVVQXBL-ZDUSSCGKSA-N 284.407 3.595 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)C[C@H](OC)C2 753576933 XMVMDCMZSZQRQS-OGHNNQOOSA-N 259.393 3.813 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1sccc1C#N 931841851 HRYBVDXELNODNU-JTQLQIEISA-N 265.382 3.520 30 20 CHED Cc1cc(Cl)ccc1C=NNCc1ccc(C#N)cc1 767388395 SFHLOZAWBPEFLK-UHFFFAOYSA-N 283.762 3.644 30 20 CHED C#CCOc1ccc(CN(Cc2ccco2)C(C)C)cc1 768249301 CAFACQBEMWYTLW-UHFFFAOYSA-N 283.371 3.702 30 20 CHED N#CC1(COC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1 768109796 LLNKOQORIQQZTB-RRFJBIMHSA-N 275.392 3.830 30 20 CHED CN(C(=O)c1ccccc1SCC#N)C1CCCCC1 867703063 DSOXYJZLSYCGSF-UHFFFAOYSA-N 288.416 3.707 30 20 CHED CCCN(CC(F)(F)F)C(=O)Nc1cccc(C#N)c1C 930459812 YDISLGGBERGPPZ-UHFFFAOYSA-N 299.296 3.673 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 767257945 NHJHBPINNBQROA-WCQGTBRESA-N 296.197 3.577 30 20 CHED CC[C@H](C(=O)[C@H](C#N)c1ccncn1)C1CCC(C)CC1 764809728 HATGZXPKKXEDGR-PFSRBDOWSA-N 285.391 3.505 30 20 CHED Cc1cccc(NN=Cc2ccn(-c3ccccc3)n2)c1 766677998 IQDQCYHUETXSGP-UHFFFAOYSA-N 276.343 3.627 30 20 CHED CC[C@H](C)c1ccc(C(C)=NNC2CCOCC2)cc1 863099556 HQAMSYVGTVZDET-ZDUSSCGKSA-N 274.408 3.693 30 20 CHED CC#CCCN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 764976259 UNSCUVWNVKIABE-RBUKOAKNSA-N 285.431 3.768 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 766572035 LOKKUBPWTQVSSB-CABCVRRESA-N 258.409 3.902 30 20 CHED C=C(CC)CN[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 769918894 DDZWNOWZIOCNKM-OAHLLOKOSA-N 296.455 3.626 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](c2ccccc2OC)C1 779918812 ZOSCKWLWBGBXGP-MRXNPFEDSA-N 299.414 3.595 30 20 CHED C#CCCCCCCN1CCC[C@@H]1c1cccnc1 877523719 MMWQSRWNGYVFAR-QGZVFWFLSA-N 256.393 3.802 30 20 CHED Cc1ccc2[nH]cc(C=NOCCC(F)(F)F)c2c1 777455738 KOLSCFXUIMEPGM-UHFFFAOYSA-N 270.254 3.779 30 20 CHED CCCNN=C(C)CCc1cncc2ccccc12 872341543 DQQPPTJTBJVNBM-UHFFFAOYSA-N 255.365 3.543 30 20 CHED CCCCC[C@@H](CC)C(=O)N[C@@H](C#N)CC(C)C 775695590 NYLOHAFBPCYHTM-ZIAGYGMSSA-N 252.402 3.647 30 20 CHED C[C@@H](CCC#N)CNC1(Cc2ccccc2)CCC1 877085665 QODNBJVHNKOGIO-HNNXBMFYSA-N 256.393 3.681 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 877958224 KJHRVWGIUJMFQD-UHFFFAOYSA-N 297.345 3.849 30 20 CHED Cc1cnc(CSCc2cccc(C#N)c2F)s1 774680566 WIPVKOZZJSXDIT-UHFFFAOYSA-N 278.377 3.896 30 20 CHED COc1cccc(NN=C(C)c2cc(C)ccc2C)n1 779819069 IPOUVDGVVOTHMY-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H]1CCCCC(F)(F)C1 880086278 CLBRWXBWKGSJRS-LBPRGKRZSA-N 273.367 3.921 30 20 CHED CC(C)CN(C(=O)Cc1ccccc1CC#N)C1CCCC1 776804542 HIRJUFDSUDGOSG-UHFFFAOYSA-N 298.430 3.722 30 20 CHED N#Cc1ccc(CN[C@H]2CCCNc3ccccc32)cc1 774130187 KEWLWFGSKVMAIE-SFHVURJKSA-N 277.371 3.595 30 20 CHED Cc1ccc(C)c(/C=C2\C(=O)Nc3cc(C#N)ccc32)c1 773158304 BDJTZSDXSTZCOZ-SXGWCWSVSA-N 274.323 3.668 30 20 CHED C=CCSCCN[C@H](C)c1cc2ccccc2[nH]1 775629035 UOZIVKHOLRMHAA-GFCCVEGCSA-N 260.406 3.738 30 20 CHED Cc1cc(/C=C/C(=O)c2cccnc2)cc2cccnc12 783696327 ICIULVLKFRMOAE-VOTSOKGWSA-N 274.323 3.834 30 20 CHED COc1cccc(/C=C2\CCOc3cc(F)ccc3C2=O)c1 781554878 AISFYEKRAWALAR-UKTHLTGXSA-N 298.313 3.883 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(O)cc1 781072416 GOVLBVZTYLASEB-JLHYYAGUSA-N 293.366 3.620 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cccc(CCC(=O)OC)c1 786578979 ZNHDVUFSWINBDT-KGLIPLIRSA-N 275.392 3.805 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 1125640167 ZNQFANANSHUHCA-SMDDNHRTSA-N 290.794 3.768 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2ccncc2CC)CCCCC1 788238866 VDCZHIJYYCIBEX-HNNXBMFYSA-N 298.430 3.795 30 20 CHED CC#CCCOC(=O)c1ccccc1CSCC 789100312 RZHGWQOYPQWSOJ-UHFFFAOYSA-N 262.374 3.510 30 20 CHED C=CCC1(C(=O)OCc2ccc(C#N)c(C)c2)CCC1 784926935 HMOGPUQFJXCMHL-UHFFFAOYSA-N 269.344 3.656 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(SC(F)F)nc1 785597141 GMPFFCAKFFMHIP-ZDUSSCGKSA-N 286.347 3.937 30 20 CHED N#C[C@@H]1CCCN(c2nc3cc(Cl)cc(Cl)c3o2)C1 895650212 HZCXVNVFYNZKPW-QMMMGPOBSA-N 296.157 3.875 30 20 CHED C/C(=C/C(=O)OCCCC(C)(C)C#N)c1ccccc1 783085835 NFOYBAJUZNZCNC-OWBHPGMISA-N 271.360 3.963 30 20 CHED C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@](F)(C#N)C1 786439289 YXJHUSYXZKMFID-GXFFZTMASA-N 286.272 3.704 30 20 CHED CC/C(C)=C(/C)C(=O)OCc1cn2ccccc2c1C#N 780221347 BSVNVYSKJDTRPS-SEYXRHQNSA-N 282.343 3.601 30 20 CHED C=CC[C@@H](NCc1scnc1C1CC1)c1ccncc1 785471085 UVKFQAADHKOQLO-CQSZACIVSA-N 285.416 3.823 30 20 CHED CCC(=NNc1ccc(Cl)c(OC)c1)[C@@H]1CCOC1 788471920 KEYPTHSXWHXNNV-SNVBAGLBSA-N 282.771 3.563 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1CCCc2ccccc21 782657481 CYZIYSJWVNQZPJ-MRXNPFEDSA-N 285.387 3.980 30 20 CHED C#CCCN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 781348543 JTFXRPVNWUCJJH-NSHDSACASA-N 293.235 3.504 30 20 CHED CN(C)c1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl 1133923495 OBQVKQXXJBDPMT-UHFFFAOYSA-N 299.761 3.530 30 20 CHED C=C1CCC(C(=O)Oc2ccc3ccnc(O)c3c2)CC1 892989751 KOQIYFJFDJOTTP-UHFFFAOYSA-N 283.327 3.592 30 20 CHED O=C(/C=C/c1ccc(F)c(Cl)c1)c1ccnc(F)c1 794718727 DZOJSDKSTHUTMB-DUXPYHPUSA-N 279.673 3.909 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCc1cccc2ccccc12 1134212292 MGJKBODLXWANFY-QGZVFWFLSA-N 294.398 3.923 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)c1nnc2ccccn12 793515021 HRBSPCPCIMPFQX-GJZGRUSLSA-N 286.423 3.905 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2F)cc1C#N 799304039 QNIJKXNTIHBRTA-CYBMUJFWSA-N 296.345 3.839 30 20 CHED Clc1sccc1C=NNc1ncnc2sccc12 790148875 GIEGMNKDBVSYTM-UHFFFAOYSA-N 294.792 3.852 30 20 CHED CC[C@H](C)NN=C(C)c1ccc(OCC(F)(F)F)cc1 790183261 KLGKPTMSJGJGJX-JTQLQIEISA-N 288.313 3.740 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1cc(C#N)ccc1F 796333801 VODPNNYGWZXYBW-MRXNPFEDSA-N 277.339 3.957 30 20 CHED Fc1ccccc1NN=C1CCC[C@H]1c1ccccn1 794887505 GKHZDWNPMRFSAV-LBPRGKRZSA-N 269.323 3.956 30 20 CHED C[C@H](Nc1cccc2c1CCO2)c1ccc(C#N)c(F)c1 794836371 NTHQXVLIVLXMRZ-NSHDSACASA-N 282.318 3.805 30 20 CHED N#CC1(N(C(=O)[C@@H](F)CC2CCCCC2)C2CC2)CCC1 791002054 AZEJQEQEHULXBC-HNNXBMFYSA-N 292.398 3.732 30 20 CHED Cc1cccnc1NN=Cc1cc(C(F)(F)F)ccc1F 790187251 UFXJDFXCLBQBHP-UHFFFAOYSA-N 297.255 3.994 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1cccc(CC(C)C)c1 794724634 RUILLYIVVLCOKG-CMDGGOBGSA-N 282.387 3.823 30 20 CHED C[C@@H]1COCC[C@H]1C/N=C\c1c(O)ccc2ccccc12 794677968 YSMWDGKRTOJUQA-JTTPLNKDSA-N 283.371 3.637 30 20 CHED C=C(Cl)CN1CCCC[C@@H]1CCC(=O)OC(C)(C)C 1307866145 VCIILXPUENZNQO-CYBMUJFWSA-N 287.831 3.715 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1C 136271264 UTSKDLQZFSRAAH-CYBMUJFWSA-N 284.281 3.892 30 20 CHED C=CCc1cc(CNc2ccc(C#N)cc2)cc(OC)c1O 76274811 JSCDTTFFTAOGSG-UHFFFAOYSA-N 294.354 3.613 30 20 CHED C#CCOc1ccc(NC(=O)[C@@H](CC)CCCC)cc1 730980921 YMZPVHLOXSAGPI-AWEZNQCLSA-N 273.376 3.854 30 20 CHED C#C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(C)(C)C 702244558 NLNSRJFYDROEJY-NSHDSACASA-N 284.186 3.771 30 20 CHED N#CCC1(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 1170062028 IWZVWGCXWBCCFY-RCCFBDPRSA-N 280.415 3.948 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)ccc1Br 281526939 XKAPRBZOSBMKRB-NSHDSACASA-N 296.208 3.842 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(C#N)c1 172353939 DZQCGBDSELWNAS-COXVUDFISA-N 254.377 3.711 30 20 CHED N#CCc1cccc(N[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 1320358996 CBWCBEUUUFKGBB-SJLPKXTDSA-N 291.398 3.971 30 20 CHED Cc1c(N[C@@H]2CC[C@@H](C#N)C2)cccc1-c1ncco1 1324377451 VEJBBZHGYKIDCI-CHWSQXEVSA-N 267.332 3.754 30 20 CHED CSc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1 80615980 YUPYQYMBYZCWCC-HNNXBMFYSA-N 288.416 3.611 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](c2cccc(C)c2)C1 1337223733 RWBKMQNJLXHJDV-MRXNPFEDSA-N 257.377 3.667 30 20 CHED C#CCN(CC1CC1)C(=O)/C(C)=C/c1ccccc1Cl 1335774508 NHWKYBKJJZDWCS-ACCUITESSA-N 287.790 3.615 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CNc1cccc(OCC#N)c1 785978870 KATWAWYDKYLOBH-RHSMWYFYSA-N 270.376 3.993 30 20 CHED N#CC1(CCCCN2CCOCC3(CCCC3)C2)CCC1 1335822555 WAUYMTPUCOODSR-UHFFFAOYSA-N 290.451 3.743 30 20 CHED C[C@H](C(=O)O[C@H](CC#N)c1ccco1)c1cccc(F)c1 1346719682 BTRJIBZHRCGKRE-XHDPSFHLSA-N 287.290 3.720 30 20 CHED C=C(CC)C(=O)Nc1cc(Br)c(C)cc1OC 1348242586 IMMJRUNGDBCDLO-UHFFFAOYSA-N 298.180 3.671 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C 1263777698 UIJRLFGMLKIHAW-NWDGAFQWSA-N 277.330 3.778 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(Cl)c(Cl)c1 1262812902 KCZBODVOPIJSCA-JTQLQIEISA-N 285.174 3.758 30 20 CHED C=C[C@H](C(=O)N1CCC(C(F)(F)F)CC1)c1ccccc1 1349123137 KHWVUAIYDFCSOM-AWEZNQCLSA-N 297.320 3.757 30 20 CHED N#Cc1sccc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1351146792 UCSPAZMNHLJOOD-YNEHKIRRSA-N 288.416 3.708 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2cnccc2c1 1355073558 DUEQETYGWZBOKX-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#Cc1ccc(COc2ccc3c(c2)C(=O)CCC3)s1 1350622401 RMEISLUPOLLGRM-UHFFFAOYSA-N 283.352 3.718 30 20 CHED N#CC[C@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1 1351532034 OJHBSZFBNLAHGB-ZDUSSCGKSA-N 286.281 3.601 30 20 CHED CCCOc1cccc(NC(=O)c2ccc(C#N)cc2F)c1 1353289370 QFWOXUHBZUIINK-UHFFFAOYSA-N 298.317 3.738 30 20 CHED CC/C(C)=C\C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1517123637 MDQKALJLWFPQPT-RNKPRXRFSA-N 287.750 3.749 30 20 CHED Cc1ccccc1COC(=O)c1cccc(SCC#N)c1 1521628410 SGHNITGLIIXLGV-UHFFFAOYSA-N 297.379 3.968 30 20 CHED C=C(C)CCS[C@H](Cc1ccc(C)cc1)C(=O)O 1609225934 BYPCZGRACKNJMZ-CQSZACIVSA-N 264.390 3.690 30 20 CHED C=CCCCCOc1c(C)cc(Cl)cc1-c1nn[nH]n1 1602838133 QQUPCAHCNLEKRH-UHFFFAOYSA-N 292.770 3.564 30 20 CHED CC[C@H](C)C[C@@H](CC)NCc1ccc(OC)c(C#N)c1 1474684685 ODIYVCMYHANMHT-XJKSGUPXSA-N 274.408 3.871 30 20 CHED Cc1cccc2cc(Oc3ncc(C#N)cc3F)cnc12 1472809765 YRCCQDXTVRJNFI-UHFFFAOYSA-N 279.274 3.741 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc3cc(C)cn3c2)c1 1629826145 ZQCLRPZQKGEIFO-UHFFFAOYSA-N 289.338 3.680 30 20 CHED CCC[C@@H](C)NCc1cc(C#N)ccc1Br 1620727201 YYJPBNBCYLPVTN-SNVBAGLBSA-N 281.197 3.599 30 20 CHED C[C@@H](CC#N)Nc1ccnc(-c2cccc(Cl)c2)n1 1639457291 VTLHQCRLJCVIKJ-JTQLQIEISA-N 272.739 3.511 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)c1ccccc1F 1642240428 PVCASZGOPASHFW-UHFFFAOYSA-N 274.726 3.987 30 20 CHED C[C@H](O)CN(CCC1(C#N)CCCCC1)C1CCCCC1 1644549961 ORCYWRRJUPZQNO-INIZCTEOSA-N 292.467 3.866 30 20 CHED CCN(CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)C[C@H](C)C#N 1641631838 SVUSNFCFWMNBMW-QXSJWSMHSA-N 250.430 3.930 30 20 CHED Cc1cc(Oc2ccccc2OC(F)(F)F)ncc1C#N 1642537867 GRHOMFXCQRDGFX-UHFFFAOYSA-N 294.232 3.953 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(C)C[C@@H](C)CC 1749267399 RYUVRTIWCVLIRM-NSHDSACASA-N 296.846 3.780 30 20 CHED C=CC(C)(C)CCCNC(=O)C1(C(=O)O)CCCCCC1 1588450568 RXOMOWSKUZHIBZ-UHFFFAOYSA-N 295.423 3.520 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 1596855651 IBGWIYRSFBWMMU-HZPDHXFCSA-N 298.292 3.579 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCC[C@H](C)C2)c1 1672775952 VLSWQAWUPZODOH-GXTWGEPZSA-N 285.391 3.815 30 20 CHED CC[C@@H]1CCCCC1=NNc1ccc(F)c(C(=O)O)c1 1776062463 VNFNXCLUXUHUTQ-SNVBAGLBSA-N 278.327 3.892 30 20 CHED Cc1cc(C=NNc2ccc(C(C)C)cc2)[nH]c1C(=O)O 1776060254 LUWIWDOKFXGPTL-UHFFFAOYSA-N 285.347 3.591 30 20 CHED O=C(O)c1ccc(NN=C(CC2CC2)CC2CC2)cc1F 1776076926 MNEPWVSEZXXFEN-UHFFFAOYSA-N 290.338 3.892 30 20 CHED CCCCCCCN(CCCCCCC)C(=O)C(=O)O 1776785900 MRZTVRANSRRDHT-UHFFFAOYSA-N 285.428 3.840 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccc(C(=O)O)c(F)c1 1776074665 MUZGWIBWTPRQTI-NSHDSACASA-N 278.327 3.748 30 20 CHED CCCN(CCC)Cc1cccc(OCCCC#N)c1 158048612 IVXHJSYJEAQGNB-UHFFFAOYSA-N 274.408 3.991 30 20 CHED C[C@@H]1CC(Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)O1 165480557 IKBIBYSIOPWISF-NXEZZACHSA-N 298.308 3.945 30 20 CHED CC1(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 156111663 VQPFAEITBXNSHI-UHFFFAOYSA-N 277.323 3.931 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccnc2Cl)c(O)c1 156709120 TVSZIGBOGPTREF-FNORWQNLSA-N 273.719 3.645 30 20 CHED O=C1/C(=C/c2cccc(Cl)c2)Cc2c(O)cccc21 209841136 JUBQWCAWZKEZFV-YRNVUSSQSA-N 270.715 3.868 30 20 CHED CCC1(C)CCN(Cc2cccc(C#N)c2F)CC1 223528249 GDUOSHWVBXXOGX-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CC1(C)CN(c2cc(Cl)ccc2C#N)CC(C)(C)O1 226425241 GMXGAWKCQHSGTF-UHFFFAOYSA-N 278.783 3.605 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)cc2F)C1 227596535 FCVNIJCGHFCUMY-TZMCWYRMSA-N 260.356 3.613 30 20 CHED C=CCC[C@H](C)Nc1cccc(N2CCCC2=O)c1 130596850 JFHAICPPZNPLPX-ZDUSSCGKSA-N 258.365 3.580 30 20 CHED CC1(C)CCC[C@H](NCc2ccc(OCC#N)cc2)C1 158903128 JGBGIDMPPGFOEM-HNNXBMFYSA-N 272.392 3.647 30 20 CHED CC[C@@H](CC#N)NCc1ccc(Cl)c2cccnc12 160324283 IYHJOGLLHQCRCD-LBPRGKRZSA-N 273.767 3.670 30 20 CHED COc1ccccc1COc1cc(Cl)ccc1C#N 161648789 NKBFVYZOIOUNDU-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=CCOc1ccccc1CNCc1ccccc1C 37486702 KKVMHPUWSJWHBY-UHFFFAOYSA-N 267.372 3.850 30 20 CHED Cc1cc([C@H](C)NC(=O)C2(C#N)CCCCC2)c(C)o1 44767460 ZLRGKOIYLVQNHS-LBPRGKRZSA-N 274.364 3.548 30 20 CHED N#Cc1ccc(Oc2cccc3c2CCCC3)nc1 301477343 PFCUENRWNZYEFD-UHFFFAOYSA-N 250.301 3.624 30 20 CHED N#Cc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1 191861593 GJJOXEBXURKYPU-UHFFFAOYSA-N 281.702 3.947 30 20 CHED CC(C)(CCC#N)CNCc1sccc1Cl 309531463 BUYGMXOGQMLQBK-UHFFFAOYSA-N 256.802 3.821 30 20 CHED C[C@H]1SCC[C@@H]1Nc1cccc(Br)c1C#N 309824701 HHNWJMYDHLNJFT-KCJUWKMLSA-N 297.221 3.627 30 20 CHED C[C@H]1C[C@H](NCc2ccc(C#N)cc2)c2ccccc21 313514378 MSZRJUXNMKKBOJ-UGSOOPFHSA-N 262.356 3.896 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1cc2ccccc2s1 321490766 SPTFVMVVHTXLJW-GXTWGEPZSA-N 275.417 3.879 30 20 CHED CC(C)(CC(=O)Nc1ccc(Cl)c(C#N)c1)C1CC1 570977475 ZLIBSWZEZSWKNO-UHFFFAOYSA-N 276.767 3.976 30 20 CHED C=CC[C@H](C)N[C@H](COCc1ccccc1)C(C)C 446928238 KOAVPZORLOHRFX-DOTOQJQBSA-N 261.409 3.782 30 20 CHED C=C(Br)CNCCc1ccc(F)cc1Cl 380313201 IAEDAIDLSWWVJJ-UHFFFAOYSA-N 292.579 3.520 30 20 CHED C=CCCSCCN[C@@H](C)CCc1ccc(O)cc1 597184832 OXORIQJVUGBINT-AWEZNQCLSA-N 279.449 3.612 30 20 CHED C=CCCOC(=O)c1cc(F)c(Cl)cc1Cl 729072254 CIPVEUMSUGYRQR-UHFFFAOYSA-N 263.095 3.865 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CS1 397919021 KACHMWDOFNXESG-KCJUWKMLSA-N 286.322 3.883 30 20 CHED Cc1ccc(NCc2ccc(CC#N)cc2)cc1C 398963752 OZVHEFZOSKWGNU-UHFFFAOYSA-N 250.345 3.982 30 20 CHED N#CCCCN1CCC[C@@H](c2nc3ccccc3s2)C1 7553307 LRJMQNPUJMKBCV-CYBMUJFWSA-N 285.416 3.779 30 20 CHED C[C@@H](CC(=O)N(CCC#N)CC(C)(C)C)c1ccccc1 104626373 YDMLVPGHSRVZCA-HNNXBMFYSA-N 286.419 3.969 30 20 CHED N#Cc1ccsc1C(=O)N[C@H](c1ccccc1)C1CC1 52029519 VYTMNJADTMGSTG-CQSZACIVSA-N 282.368 3.501 30 20 CHED N#CCCCC[S@@](=O)Cc1c(Cl)cccc1Cl 108123865 HDZBWLSOSFMYMU-KRWDZBQOSA-N 290.215 3.936 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cccnc1C 119274242 SFQWGMRSZXOAMT-UHFFFAOYSA-N 279.387 3.674 30 20 CHED CCCCCn1c(SCC#N)nc2ccccc21 57500685 LNUBUNNRDFXJEO-UHFFFAOYSA-N 259.378 3.842 30 20 CHED C=C(C)CN(CC)C(=O)CCSc1ccccc1 57157964 ODVDSBVBCLTHBS-UHFFFAOYSA-N 263.406 3.593 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc(CC)cc1 55206530 JBENBRSFJZFJRB-UHFFFAOYSA-N 259.393 3.606 30 20 CHED C=C(Cl)CSCc1nc([C@@H](C)OCC(C)C)no1 174257648 KGLOPNZXRJNDQW-SNVBAGLBSA-N 290.816 3.789 30 20 CHED CCOC(=O)c1ccc(C#N)c(SC2CCCCC2)n1 64368325 HENKXJXAHVTRJX-UHFFFAOYSA-N 290.388 3.555 30 20 CHED C[C@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H]1C 178824079 WONCIMWNRZZADF-UXLLHSPISA-N 299.418 3.861 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1C 348931370 AYFREDQZRZWTMS-LALPHHSUSA-N 271.364 3.504 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(CC)cccc1CC 116997456 IIDUDFFKMKZWSQ-GFCCVEGCSA-N 260.381 3.898 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OCC2CC2)cc1 172105018 DMHHWRZTWZOKLN-GFCCVEGCSA-N 274.364 3.562 30 20 CHED O=C1/C(=C\c2cc(F)c(O)c(F)c2)Cc2ccc(F)cc21 175327598 XFWKLSFFRSPTEY-KMKOMSMNSA-N 290.240 3.632 30 20 CHED C#CCCCN[C@H]1CCCOc2c(Cl)cccc21 178054535 JORYSTACKGTEBR-AWEZNQCLSA-N 263.768 3.557 30 20 CHED CC(C)C[C@@H](NCc1cccc(C#N)c1)c1ccccn1 177897297 ZMYZQBQPHPOHFR-GOSISDBHSA-N 279.387 3.830 30 20 CHED N#CCSCCCSc1ccc2c(c1)CCC2 174008712 AGPMTRAUKFUPIT-UHFFFAOYSA-N 263.431 3.914 30 20 CHED Cc1cccc(C)c1Cn1cc(C#N)c(=O)c2ccccc21 172366796 YNNSFHRKPXXDHH-UHFFFAOYSA-N 288.350 3.538 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 66013578 HQJPRUZFASPSCB-LBPRGKRZSA-N 282.318 3.515 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 178115587 NHVYXMYGMCGRNY-YOEHRIQHSA-N 284.403 3.528 30 20 CHED CC[C@H](C#N)NC(=O)Cc1cc2c(ccc3ccccc32)o1 126238211 AYYZOIKGZDLXQR-CYBMUJFWSA-N 292.338 3.547 30 20 CHED C[C@H](Nc1ccc(Cl)c(C#N)n1)[C@H]1COc2ccccc21 301871741 WYGJSWUEYVOVLT-CMPLNLGQSA-N 299.761 3.583 30 20 CHED C=CCCCC(=O)NCCSc1ccc(C)cc1 175128625 DCXOGQQZUXPEMS-UHFFFAOYSA-N 263.406 3.560 30 20 CHED CCCCCCCOC(=O)Cc1csc(C)n1 126040078 UKJGUUSSTOWUPF-UHFFFAOYSA-N 255.383 3.508 30 20 CHED CC#CCCCC(=O)N(CC)Cc1ccc(Cl)s1 184991250 RUEPOUWZTGQDPG-UHFFFAOYSA-N 283.824 3.944 30 20 CHED CCCC(O)(CCC)CNc1ccc(Cl)cc1C#N 303936964 YAIJLDSXCLPDEH-UHFFFAOYSA-N 280.799 3.955 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc3ncccc3c2)C1 185888737 YYJPEOYQRRFJRA-GXTWGEPZSA-N 251.333 3.729 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F 181133865 ZJAZBVBZSIGJMD-VHSXEESVSA-N 280.334 3.617 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1 124649474 IXQBZNUYQIIJBA-CQSZACIVSA-N 290.794 3.862 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(OCc2nccn2C)cc1 180952272 NYLLPHHXUBJTCI-HUUCEWRRSA-N 299.418 3.614 30 20 CHED C=CCSc1nnc(-c2ccc(Cl)s2)o1 127003746 NEGWMXVHHUIHJV-UHFFFAOYSA-N 258.755 3.730 30 20 CHED C#CCCCCC(=O)NC[C@@]1(C)CCCc2ccccc21 120752563 QSERILFHKVJFTE-LJQANCHMSA-N 283.415 3.590 30 20 CHED C=CCC[C@H](N[C@H]1CS[C@H](C)C1)c1ccco1 414221391 DFWZXMTZHBWWDY-UPJWGTAASA-N 251.395 3.771 30 20 CHED CCn1c(-c2ccc(OCC#N)cc2)nc2ccc(F)cc21 182241536 AUJURFVROADBNW-UHFFFAOYSA-N 295.317 3.765 30 20 CHED CC[C@@H](NCCCC(C)(C)C#N)c1nc(C)cs1 184343895 GLAIVPBRPASZBO-GFCCVEGCSA-N 265.426 3.822 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@H](c2ccccc2)C1 127998543 AEOLYIVOQSWKKE-KRWDZBQOSA-N 269.388 3.771 30 20 CHED CC(C)[C@H](NCCC1(C#N)CCCCC1)C1(CO)CCC1 411767085 DTUDJNPVAWRZSN-INIZCTEOSA-N 292.467 3.627 30 20 CHED C=CCn1cccc1C(=O)NCC[C@H](C)c1ccccc1 410214817 LTRSLXLOWMIJDO-HNNXBMFYSA-N 282.387 3.598 30 20 CHED C=CCn1c(C)nnc1S[C@@H](C)c1c(F)cccc1F 71960029 NBQWZVVZWLFCDX-VIFPVBQESA-N 295.358 3.904 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc2cc(C)ccc2o1 410830521 VYSOTVKTEXPARA-ZDUSSCGKSA-N 270.332 3.506 30 20 CHED C#CCOc1ccccc1NC(=O)/C=C/C(=C\C)CC 187222615 YSQGWGAFXOBNRU-WZDKSCSOSA-N 269.344 3.550 30 20 CHED N#Cc1cc(NCc2ccc(Cl)nc2)ccc1Cl 857829557 IJMXPCHSZZNYPO-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 182192637 HBZIISHTAQQGDL-YOEHRIQHSA-N 284.403 3.760 30 20 CHED CC(C)c1ccc(NC[C@H](O)c2ccc(C#N)cc2)cc1 37877320 VVXPVQBWXIKVAY-SFHVURJKSA-N 280.371 3.827 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)c(OC)c(F)c1OC 411047009 LWHGNXRDTJCDLR-UHFFFAOYSA-N 299.317 3.523 30 20 CHED CC(C)[C@H](CC(=O)NCC1(C#N)CCC1)c1ccccc1 416359326 OWEMJMPFDNBLDJ-INIZCTEOSA-N 284.403 3.626 30 20 CHED C[C@H](CN[C@H]1CCC[C@H](C#N)C1)Sc1ccccc1 185848550 IQPDWFWABMHGEI-ILXRZTDVSA-N 274.433 3.839 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cccc(C2CCC2)c1 410835715 OQCYTJAAYGGOQB-INIZCTEOSA-N 270.376 3.718 30 20 CHED Cc1cccc([C@H](NC(=O)CC(C)(C)C#N)C(F)(F)F)c1 504338291 YWQIBPUEVAAYGU-ZDUSSCGKSA-N 298.308 3.655 30 20 CHED CC(C)(C)OCC(=O)Nc1scc(C(C)(C)C)c1C#N 410927930 LBQURZRGFAKMCP-UHFFFAOYSA-N 294.420 3.671 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC(c2cccc(Cl)c2)C1 412388002 OEQPTLDAFPQSFE-MRXNPFEDSA-N 277.795 3.868 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CCSc1ccccc1 502409851 KEGUAWVZIOQSPX-MRXNPFEDSA-N 290.432 3.613 30 20 CHED OC(=Nc1nnc2ccccn12)[C@@H]1CCC[C@H]2CCCC[C@H]21 328992182 IROFDTUBYMKKIT-MGPQQGTHSA-N 298.390 3.924 30 20 CHED CCOC1CC(CC/N=C(/O)N[C@@H]2CCC[C@@H](C)CC2)C1 329948355 YYSJWSAHGNEXJY-YHNBSYBMSA-N 296.455 3.664 30 20 CHED N#Cc1cc(F)c(NCc2ccc3ncccc3c2)c(F)c1 193001705 ZYOMWKBUVHKYLJ-UHFFFAOYSA-N 295.292 3.997 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(C(C)=O)c(C)c2)CC1 89449222 DJVHKHADXTWOIG-UHFFFAOYSA-N 286.375 3.628 30 20 CHED CCc1nc(CC/N=C(/O)C[C@H]2CCCC(C)(C)C2)no1 328764595 GIPKQHBENUHBPK-GFCCVEGCSA-N 293.411 3.738 30 20 CHED C[C@H](SCCOCC(F)(F)F)c1cccc(C#N)c1 190826180 MRMIKEVEWVLXFK-JTQLQIEISA-N 289.322 3.931 30 20 CHED Cc1noc(C(C)C)c1/C(O)=N/C[C@H]1CCCCS1 329680259 XTWQEBBFIPIKSV-LLVKDONJSA-N 282.409 3.697 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1ccc(SCC)cc1 192110950 ZGXNSHKDMYZRKX-ZDUSSCGKSA-N 275.417 3.779 30 20 CHED N#CC1(NC(=O)/C=C/Sc2ccccc2)CCCCC1 194412480 IZYZRYKYCXGTHC-FMIVXFBMSA-N 286.400 3.635 30 20 CHED CC[C@]1(C)CCCN(C(=O)CCc2ccc(C#N)cc2)C1 81321280 SJTUXDKMAXDMFB-GOSISDBHSA-N 284.403 3.530 30 20 CHED C[C@]1(/C(O)=N/CC[C@@H]2C[C@H]3CC[C@H]2C3)CCC(O)=NC1 328685382 XKEPZBIGDQRXTA-JFILPPLUSA-N 278.396 3.526 30 20 CHED C#CCCCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 192097137 WLBUYJUVSWDLIR-INIZCTEOSA-N 269.388 3.719 30 20 CHED CCC[C@@H](C)C(=O)N(CCC)Cc1ccc(C#N)cc1 48240305 ZZHHTIRJOJNAPQ-CQSZACIVSA-N 272.392 3.733 30 20 CHED OC(=Nc1cccc2nc[nH]c12)c1coc(C2CCCC2)n1 329905840 JTYJVBJHLQMBGV-UHFFFAOYSA-N 296.330 3.845 30 20 CHED C[C@H](CC1CCCC1)C(O)=Nc1nc2cccnc2n1C 329942721 HKORNEBSGHCLQJ-LLVKDONJSA-N 286.379 3.773 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@]12CCC[C@@H]1C2 421458046 KRGMLVODMQQHRW-WBVHZDCISA-N 261.409 3.772 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnc(C(F)(F)F)cc1C 425621906 JPZGGKDWVSEVTJ-UHFFFAOYSA-N 286.297 3.950 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(C)Cc2cccc(C#N)c2)C1 131293308 KCWKAWONWNOWLF-LSDHHAIUSA-N 284.403 3.733 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCOc2c(CC)cccc21 424637228 JMKHDZQOWQMFOH-HNNXBMFYSA-N 287.403 3.791 30 20 CHED N#C[C@@H](C(=O)CC1CCCCC1)c1nc2ccccc2o1 41547845 JEWSVJJKQLUWDX-ZDUSSCGKSA-N 282.343 3.974 30 20 CHED N#Cc1ccc(Sc2c(F)cccc2[N+](=O)[O-])c(F)c1 516327333 ZPQRDUUKCWZZHX-UHFFFAOYSA-N 292.266 3.896 30 20 CHED C=CCc1cccc(F)c1OCCCn1ccnc1C 424103861 RFDLFCOAHRNJMZ-UHFFFAOYSA-N 274.339 3.528 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cc(F)ccc1OC 190729584 TUCSWIYSOKYVNU-BZNIZROVSA-N 279.355 3.614 30 20 CHED Cc1ccc2[nH]c(CN[C@@H]3CCC[C@H]3C#N)cc2c1C 335693646 KSDPGBGOOYIGJX-XJKSGUPXSA-N 267.376 3.567 30 20 CHED Cc1noc(C(C)C)c1/C(O)=N/C[C@@H]1CC[C@H](C)C1 331062558 CTDXGXKEELIAOT-CMPLNLGQSA-N 264.369 3.847 30 20 CHED C#CCCCC(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 192120928 QRFFGCJUOCECOD-LBPRGKRZSA-N 297.320 3.556 30 20 CHED C=CCCCC[C@H](C)NCc1ccc2c(c1)CNC2 423376964 JPDBSOIWUUEEFJ-AWEZNQCLSA-N 258.409 3.514 30 20 CHED COc1nn(C)cc1N=C(O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 330018781 UBZFEBCIFOCEOC-YNEHKIRRSA-N 291.395 3.623 30 20 CHED Cc1c(NC(=O)C[C@@H]2CCC[C@@H]2C)ccc(C#N)c1C#N 421552261 BHBIIMSTJURYTA-AAEUAGOBSA-N 281.359 3.503 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2CCC(C)(C)C2)s1 513664088 QCXMBHHBKULOGO-SNVBAGLBSA-N 276.405 3.947 30 20 CHED CC(C)COc1ccc(CNCCCCC#N)cc1 236646429 RMBQCAQTOOCDFE-UHFFFAOYSA-N 260.381 3.505 30 20 CHED N#CC1(NC(=O)c2ccc(-c3cccs3)o2)CCCC1 335125494 RAEDGODLBGQBDT-UHFFFAOYSA-N 286.356 3.574 30 20 CHED C[C@H](NC(=O)c1sccc1Cl)c1ccc(C#N)cc1 335938332 LETCWDYAKPTSTA-VIFPVBQESA-N 290.775 3.764 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc(Cl)cc(Cl)c1 339162889 ATIPOMUHJPZLBT-GFCCVEGCSA-N 285.174 3.758 30 20 CHED C=CCn1c(C(C)C)nnc1N1CC[C@@H](C2CCCC2)C1 421257109 AHFLHNUUIYYTCR-OAHLLOKOSA-N 288.439 3.604 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@@H](C)CC)c1 98029864 GRAYLZOWMDNJNK-LBPRGKRZSA-N 262.353 3.514 30 20 CHED CCN(CCNCc1cc(C#N)cs1)c1cccc(C)c1 236869108 IFRULXKWYKWUNR-UHFFFAOYSA-N 299.443 3.544 30 20 CHED CC[C@H](C)CSc1nc2c(cc1C#N)CCCC2 234046240 VYECPTBGGXRRQH-NSHDSACASA-N 260.406 3.970 30 20 CHED Cc1ccc(CN(C)Cc2cn3ccccc3c2C#N)cc1 141212170 VJAGBXIKGNSYOJ-UHFFFAOYSA-N 289.382 3.751 30 20 CHED N#C[C@@]1(C(=O)NCC2CCCCCC2)CC12CCCC2 333074764 KQHWARGXEYXPIJ-QGZVFWFLSA-N 274.408 3.547 30 20 CHED C=C(C)CNCc1ccc(OC)c(OCCC(C)C)c1 512389655 POHBWYXBMJFFEP-UHFFFAOYSA-N 277.408 3.786 30 20 CHED Cc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 237576780 COVAKPKUVWKDPO-OAHLLOKOSA-N 280.371 3.576 30 20 CHED C[C@H]1CN(c2snc(Cl)c2C#N)[C@@H]1c1ccccc1 92658538 WYMSNXKDPPTNQC-CABZTGNLSA-N 289.791 3.866 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1N=C(O)NC1(C)CCCC1 330925811 WHICNYYFZQVZOO-UHFFFAOYSA-N 291.351 3.679 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 336615884 LRSIAGQRFFMQPB-WBMJQRKESA-N 266.344 3.879 30 20 CHED COc1cccc(N(CCCCC#N)CC(C)C)c1 338733714 WOADZNFUWUCFPZ-UHFFFAOYSA-N 260.381 3.851 30 20 CHED C=CCC[C@H](N[C@@H]1CCOc2ccc(F)cc21)C1CC1 437052733 FRCNMMBQWDMOPM-JKSUJKDBSA-N 275.367 3.984 30 20 CHED CC(C)n1cnnc1SCCCCC(C)(C)C#N 436123260 KBNCJQXDLHJWIW-UHFFFAOYSA-N 266.414 3.671 30 20 CHED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)C 340740476 OAZYWISJKWOWLH-UHFFFAOYSA-N 295.342 3.649 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnc2c(cnn2C(C)C)c1 525953188 MJVMZARFHHSRGA-MRXNPFEDSA-N 286.379 3.553 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 245510424 LIJUBYUHTCUIHF-DZKIICNBSA-N 264.413 3.503 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](CC)CCC 520095153 NGRVGYAYAPWXGR-CYBMUJFWSA-N 261.365 3.560 30 20 CHED Cc1ccnc(N2CC[C@H](c3c(F)cccc3F)C2)c1C#N 346240694 PXERCCZTQGZVIV-LBPRGKRZSA-N 299.324 3.534 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 434010787 FSGZPPVOUAIGRP-JYJNAYRXSA-N 290.451 3.990 30 20 CHED C[C@H](C(=O)NCC(C)(C)CCC#N)c1c(F)cccc1F 345968066 RMGCOWIKZKFFMY-NSHDSACASA-N 294.345 3.514 30 20 CHED CC(C)Sc1ccc(Cn2ccn3ncc(C#N)c23)cc1 348033922 QLTJSBSUYUVDER-UHFFFAOYSA-N 296.399 3.556 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 529392902 FUUUXGDHQRXVQW-KBPBESRZSA-N 278.440 3.990 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(CC)c1-c1ccccc1 341616953 CFZOYGNNIHWWSH-OAHLLOKOSA-N 297.402 3.655 30 20 CHED N#Cc1ccc(CNc2cc3c(cc2Cl)CCC3)o1 527805962 GVRCCLUPNPWWFL-UHFFFAOYSA-N 272.735 3.905 30 20 CHED Cc1c(C#N)c(S[C@H]2C=CCCC2)nc2c1CCC2 609406970 MCAIEGTVAXFMBF-LBPRGKRZSA-N 270.401 3.951 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CCC(CCC)CC1 435731286 JATWNTGXTOKHEB-XGHPGWEVSA-N 265.441 3.916 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N(CC#N)c1ccc(F)cc1C 602386294 IRPSIDROFZOJBU-DGCLKSJQSA-N 276.355 3.673 30 20 CHED CCCC[C@@H](CC)CC(=O)N(CC#N)C1CCCC1 609976817 LQUCDDIMIPRZNJ-CQSZACIVSA-N 264.413 3.888 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1cc2ccccc2o1 529130567 OUNRPEWBVUUHJV-LBPRGKRZSA-N 284.359 3.940 30 20 CHED C=CCCC(=O)Nc1ccc2c(ccn2CCC)c1 522583280 QHLVTBPGRMKSNE-UHFFFAOYSA-N 256.349 3.956 30 20 CHED COc1cccc(CC2CCN(CC3(CC#N)CC3)CC2)c1 602805269 NUAKXYBUNDTGBZ-UHFFFAOYSA-N 298.430 3.644 30 20 CHED COCCC1(CNc2snc(C)c2C#N)CCCCC1 343024897 KNCOAFDENAXCBU-UHFFFAOYSA-N 293.436 3.722 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)c1sccc1C#N 529798692 GVRFEQGUPMARCH-HNNXBMFYSA-N 298.411 3.761 30 20 CHED CCN(CC)C[C@@H](C)Nc1ccc(C#N)cc1C(F)(F)F 524848639 IEYFINIMVGNMDL-LLVKDONJSA-N 299.340 3.719 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CC[C@@H](CC)O2)n1 340789336 BUQHIZYPLZDKKN-MNOVXSKESA-N 250.342 3.553 30 20 CHED CN(CCCCC#N)C[C@@H]1CCCO[C@H]1c1ccccc1 608832769 TXPGDUTVUQVXDW-ROUUACIJSA-N 286.419 3.780 30 20 CHED Cc1cc(Br)ccc1CN[C@@H]1CC[C@@H](C#N)C1 349820091 FMCNYFVYSGFACK-BXUZGUMPSA-N 293.208 3.539 30 20 CHED CC[C@H](NC[C@]1(C)CCCS1)c1ccc(C#N)cc1 447587069 OIAYRHQAFHGGRV-HOTGVXAUSA-N 274.433 3.885 30 20 CHED Cc1cc(C)c(C#N)c(N(C)C[C@H](C)c2ccccc2)n1 608973626 BIYLNESCHPXNCK-AWEZNQCLSA-N 279.387 3.810 30 20 CHED Cc1cc(CNc2cccnc2OC(C)C)ccc1C#N 443991353 UIYABZUWDYQHAJ-UHFFFAOYSA-N 281.359 3.661 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N(C1CC1)C1(C#N)CCC1 602316942 WLBGMROPCGQVNI-OAHLLOKOSA-N 296.414 3.611 30 20 CHED Cc1ccc(Cl)cc1CNc1cccnc1C#N 357678766 DWYLDYBQNYUELV-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=CCc1cc(CN2CCC[C@H]2CC)cc(OC)c1O 352647653 ZPKKHINVZSDDMF-OAHLLOKOSA-N 275.392 3.504 30 20 CHED C=CCN(C(=O)NCC[C@H]1CCCC[C@@H]1C)C1CC1 536797637 ORKXXNVBAYBRQI-UONOGXRCSA-N 264.413 3.563 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@H]1C[C@H](c2ccccc2)C1 602646283 NRJXAOVBNRMIDO-KBAYOESNSA-N 298.430 3.621 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc(O)c1Cl 351398793 PCQZRJRQTMAYCL-UHFFFAOYSA-N 280.799 3.807 30 20 CHED Cc1ccccc1C[C@H](C)NC1CCC(C)(C#N)CC1 449087652 GUPJQZZPLJBDPF-ZLPCBKJTSA-N 270.420 3.988 30 20 CHED C[C@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)C(C)(C)C1 269740769 XAERFELQPFZNNA-GDBMZVCRSA-N 299.418 3.861 30 20 CHED C=CC[C@H]1N(C(=O)N[C@@H](C)c2ccon2)CCCC1(C)C 445251812 QMSWSNDQIIUIER-GXTWGEPZSA-N 291.395 3.512 30 20 CHED CSc1ccc(N(C)C(=O)C2(C#N)CCCCC2)cc1 264893767 ZYWBTVHWNJHRDR-UHFFFAOYSA-N 288.416 3.845 30 20 CHED CC(C)CCCNCc1ccc(C#N)c(Cl)c1 619798675 QMCCIYUXXWUKKT-UHFFFAOYSA-N 250.773 3.737 30 20 CHED C=CCCCc1nc(-c2cccc(C(F)(F)F)n2)no1 356976682 KMLIUDDKDCDIKY-UHFFFAOYSA-N 283.253 3.659 30 20 CHED C=CCCNC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 617615227 DDLREWKGDIYFSY-UHFFFAOYSA-N 289.419 3.691 30 20 CHED C=CCN(CCC#N)C(=O)c1c(Cl)cccc1Cl 359386178 WDAPRKPREASKLH-UHFFFAOYSA-N 283.158 3.535 30 20 CHED C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cccc(C#N)c2)C1 538862552 LTHNGKHIBZTRDQ-HNAYVOBHSA-N 291.398 3.806 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1nccc2ccccc12 264266769 NAHQKIVVJKEUPH-UHFFFAOYSA-N 295.386 3.637 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)c2ccc(C#N)o2)c2ccccc21 352028206 PKXYFORNVCVDSX-HZPDHXFCSA-N 294.354 3.766 30 20 CHED C=C(CC)CSCc1cccc(C(=O)N(C)C)c1 358635008 HEYBULVHXFTABD-UHFFFAOYSA-N 263.406 3.588 30 20 CHED C=C1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 353305390 BWWLPHVYLWPUKS-UHFFFAOYSA-N 287.794 3.882 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1 265657513 ZDYROYJIBAHBOK-CJNGLKHVSA-N 270.376 3.599 30 20 CHED C[C@H]1c2ccccc2OCCN1CC(C)(C)CCC#N 611262717 DFOCIHZFQYAMJL-AWEZNQCLSA-N 272.392 3.772 30 20 CHED CCC(=O)Nc1ccc(NCc2ccc(C#N)c(C)c2)cc1 443994760 PIDRQPOUPFKKMQ-UHFFFAOYSA-N 293.370 3.827 30 20 CHED C=C1CCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 264523233 VXZQOHSTQHHNRA-UHFFFAOYSA-N 286.762 3.680 30 20 CHED Cc1cc(C)cc(OCCN[C@@H](C)c2cccc(C#N)c2)c1 539495537 WBXJWELJYDSWPV-INIZCTEOSA-N 294.398 3.905 30 20 CHED CCc1ccc(N(CC)C(=O)c2cc(C#N)cs2)cc1 267621209 KZNOPOLQRBEWFG-UHFFFAOYSA-N 284.384 3.849 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc(CC#N)c1 455916091 HZHLFVNVXBDBGU-LBPRGKRZSA-N 283.331 3.571 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CCCC#N)cc1 360364731 NEODGPMYQPFQCD-SJORKVTESA-N 284.403 3.783 30 20 CHED C[C@@H](NC[C@@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 453309922 FDWMLDBALSDTSZ-GDBMZVCRSA-N 284.403 3.558 30 20 CHED C=CC(C)(C)CNC(=O)NCc1cc(C(CC)CC)no1 454567468 PYQGOINVABONIG-UHFFFAOYSA-N 293.411 3.590 30 20 CHED C=C(C)CCNC(=O)C1(c2cccc(F)c2)CCCC1 456122926 PGPFENWLGLWGHE-UHFFFAOYSA-N 275.367 3.720 30 20 CHED C[C@@H]1[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CCC[C@H]1C 618807221 WGGUZNJENUGFEE-QISBLDNZSA-N 268.404 3.960 30 20 CHED Cc1cccc([C@@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 457075873 JDBBOANZRXBWDZ-LSDHHAIUSA-N 292.382 3.848 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cncc(CC)c1 279314413 WTRMNJLVOIJLGJ-UHFFFAOYSA-N 294.398 3.515 30 20 CHED N#Cc1ccc(C(=O)N(c2ccccn2)C2CCCC2)s1 610896293 JYVDMAHDEMSCHC-UHFFFAOYSA-N 297.383 3.604 30 20 CHED C=CCCOCCN[C@H]1CCCc2ccc(Cl)cc21 540153886 LVMKWAHOFQRVLL-INIZCTEOSA-N 279.811 3.900 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@H](O)[C@H](C2CCCC2)C1 459786300 CHZXLJACELBHCI-DLBZAZTESA-N 292.467 3.579 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CCCC1 450024033 CJOWVTKETYTYQM-SJORKVTESA-N 299.414 3.769 30 20 CHED CC(C)[C@@H](C)N(C(=O)N[C@H](C)c1cccc(C#N)c1)C1CC1 610664041 COXWGUKTEBHNRC-ZIAGYGMSSA-N 299.418 3.838 30 20 CHED CCC(CC)(C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612371379 KMSBIZZUUQYEIK-SFHVURJKSA-N 298.430 3.897 30 20 CHED N#CCc1cccc(NC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c1 455922651 RKUKXQKQERDFML-HRCADAONSA-N 297.402 3.700 30 20 CHED C=C(C)CCNC(=O)N[C@H](CC)c1cc(F)ccc1F 455309632 LKJXBTQITUXACK-CQSZACIVSA-N 282.334 3.681 30 20 CHED CC(C)CC[C@@H]1CCCCN1Cc1cc(C#N)n(C)c1 361577833 MUPFDVDDJOKONN-INIZCTEOSA-N 273.424 3.687 30 20 CHED Cc1cccc(C)c1[C@@H](C)NCc1ccc(C#N)o1 545558396 UCONKEFFKZAYHF-CYBMUJFWSA-N 254.333 3.619 30 20 CHED C[C@H]1C[C@H](CCNc2cc(Cl)ccc2C#N)CCO1 541351472 YPWRQZMXAAVBAI-NWDGAFQWSA-N 278.783 3.829 30 20 CHED C=C(CC)CNC(=O)CCOc1ccccc1C(C)C 456811224 INFHANWYTHDRGY-UHFFFAOYSA-N 275.392 3.661 30 20 CHED Cc1ccc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)cc1C#N 367238937 RUVOSOFQXJPDPF-CQSZACIVSA-N 282.387 3.519 30 20 CHED Cc1ccnc(N[C@H]2CCCc3cnn(C(C)C)c32)c1C#N 364040971 XCPVNHYAXHSEBD-HNNXBMFYSA-N 295.390 3.529 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@H](CN2CCCCC2)C1 365436333 ZCEUBUNVSVUFDX-KRWDZBQOSA-N 291.483 3.514 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1Cl 274643231 RLCHDQKKVQXWQL-HOSYDEDBSA-N 266.747 3.822 30 20 CHED CC(C)(C#N)CCCN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 451625285 HMFFUBHCLJODOY-CVEARBPZSA-N 290.451 3.597 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(C)cccc1Cl 452425162 RAZMFTLQFPGLGA-UHFFFAOYSA-N 265.784 3.981 30 20 CHED C=CCCCCN[C@H](C)c1cccc(N2CCOC2=O)c1 274629319 YTNALTVICZNURO-CQSZACIVSA-N 288.391 3.650 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)c2ccc(CC#N)cc2)C1 270418156 SUWZXABMWFPNOW-MRXNPFEDSA-N 284.403 3.651 30 20 CHED CC(=O)c1ccc(C#N)c(NCC2=CCCCC2)c1 450578813 BIBHXKASTMICHY-UHFFFAOYSA-N 254.333 3.673 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CCCC(C)(C)C1 549278186 SJIPADFIGAAXMX-UHFFFAOYSA-N 290.455 3.679 30 20 CHED Cc1ccc([C@@H]2COCCN2CCCCC(C)(C)C#N)o1 277825495 VWLGPRSTKJIVOU-HNNXBMFYSA-N 290.407 3.681 30 20 CHED C=CCC1(CN[C@@H](CC)c2cnn(C)c2)CCCC1 453381702 RUUDAQAFSKEVNX-HNNXBMFYSA-N 261.413 3.597 30 20 CHED C#Cc1cccc(NCc2cnc([C@@H]3CCCO3)s2)c1 274311418 QRBAABDMUDONLQ-HNNXBMFYSA-N 284.384 3.588 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@H](C)Sc1ccccc1 543107358 HTCOVKVPEBFFAF-UONOGXRCSA-N 292.448 3.821 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2ccc(F)c(C#N)c2)cc1 468829877 FGXLZWXEYODQDK-GFCCVEGCSA-N 296.345 3.751 30 20 CHED CCC[C@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 273394105 KUUOIJRBXWFVJO-INIZCTEOSA-N 270.376 3.547 30 20 CHED C=CCC1(C(=O)N2CCCC(F)(F)CC2)CCCC1 628630832 HHRJWYTUDANQKU-UHFFFAOYSA-N 271.351 3.771 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2cc(C)ccc21 467928063 UJDFFXQZTXBMDO-WBVHZDCISA-N 257.377 3.701 30 20 CHED N#CCC1CCN(Cc2cccc(-c3ccncc3)c2)CC1 541922077 LUWTVSXCSLIIEX-UHFFFAOYSA-N 291.398 3.874 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CCC[C@@H]2CCO)c1 275011631 JKUAKFHOKJEQCW-DGCLKSJQSA-N 298.308 3.540 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OCC)cc1 466321855 ALPKRPHSDNLBHI-GFCCVEGCSA-N 262.353 3.562 30 20 CHED CCCOc1cccc(NCCOc2cccc(C#N)c2)c1 462219788 XYHWQNBVGWBPGW-UHFFFAOYSA-N 296.370 3.838 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H](C)[C@@H]1CCC 466380344 MYJZHQBDGCBXQP-ILXRZTDVSA-N 266.429 3.951 30 20 CHED C=CCCC(C)(C)NC(=O)c1sccc1Cl 620857106 NTNLZHDXMGTGGI-UHFFFAOYSA-N 257.786 3.876 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2cccc(C#N)n2)cc1 463075389 OTEQLTDRNWPRQS-UHFFFAOYSA-N 279.387 3.676 30 20 CHED C=C(C)CCc1noc(CSc2ccccc2)n1 284998457 CVPIYZLTEBJNRM-UHFFFAOYSA-N 260.362 3.871 30 20 CHED C=C[C@@H](C)NC(=O)CCCc1csc2ccccc12 465119054 XZZFXPSUVQJUDO-GFCCVEGCSA-N 273.401 3.915 30 20 CHED Cc1ccc(C)c(N(C)C(=O)[C@H](C)c2cccc(C#N)c2)c1 463455007 BLDFYLWWRCLTQD-OAHLLOKOSA-N 292.382 3.942 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccccc1C)C(C)C 464762668 WYMRTLRCFXXDEI-HIFRSBDPSA-N 260.381 3.566 30 20 CHED Cc1nc(C)c(C#N)c(SCCSC(C)(C)C)n1 282740692 YYUBKVQQLUOBGA-UHFFFAOYSA-N 281.450 3.589 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)COc1c(C)cccc1C 468115350 NVVAVFQSSWDORO-CRAIPNDOSA-N 289.419 3.789 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc3nc(C4CC4)oc3c2)C1 559784289 ZTKICJFRURZQTJ-PWSUYJOCSA-N 267.332 3.809 30 20 CHED Cc1ccc(CCC(=O)N(CCC#N)CCC(C)C)s1 290512750 VIVLDMNEMNEDCA-UHFFFAOYSA-N 292.448 3.778 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C1CCc2ccccc21 807989782 NNOBZKKOLPAICQ-UHFFFAOYSA-N 281.315 3.666 30 20 CHED C=CCc1cc(CN2[C@@H](C)CC[C@H]2CC)cc(OC)c1O 554887846 DTZULAYYOUITLV-XJKSGUPXSA-N 289.419 3.892 30 20 CHED C#C[C@H](NCc1cccc(OC)c1OC(C)C)C(C)(C)C 809782171 JNOXYABTUBFDBK-INIZCTEOSA-N 289.419 3.620 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CC(=O)c3ccccc32)n1 551135314 CLLPNRKHKSNDGY-ZDUSSCGKSA-N 282.343 3.642 30 20 CHED CC[C@@H](C(=O)N(C)[C@H](C)C#N)c1cccc(C(F)(F)F)c1 297659320 BPBMRQLIRWKHQQ-ZWNOBZJWSA-N 298.308 3.569 30 20 CHED Fc1ccc([C@H]2CCCC2=NN[C@H]2CCSC2)cc1 808002418 JVIGAPWAAOKKEU-UONOGXRCSA-N 278.396 3.544 30 20 CHED C#CCCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 805772369 IOQWMMFCRLLTIV-LBPRGKRZSA-N 269.310 3.592 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1cccc(C#N)c1)C2=O 809158087 XXVAVZUWHRRGEO-MDWZMJQESA-N 293.297 3.528 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)OCCO[C@@H](C)C#N 801838671 GBJFMJIQNSSIKT-HOCLYGCPSA-N 295.423 3.845 30 20 CHED C#Cc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1 809636563 BTZPYSIGFDJFEL-AWEZNQCLSA-N 276.339 3.571 30 20 CHED CC#CC(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC 801158791 NWXPXVINYWEAHN-AWEZNQCLSA-N 293.794 3.575 30 20 CHED C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1F)C(C)C 299324335 PTTWQPKJPRFCMP-AWEZNQCLSA-N 293.382 3.544 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@H](C)C1 809853046 YCAUVJAYXSHISV-AWEZNQCLSA-N 252.402 3.564 30 20 CHED Cc1ccccc1[C@H](NCc1ccc(C#N)cn1)C(C)C 569135990 QYJLOLKUPQCTPO-GOSISDBHSA-N 279.387 3.749 30 20 CHED C#C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 809685533 YXZXWTJTHBZSEK-INIZCTEOSA-N 298.342 3.602 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc2c(c1)oc1ccccc12 806208335 OBJKZDZMDVECAJ-LLVKDONJSA-N 278.311 3.729 30 20 CHED C[C@H](C=NNc1nncc2ccccc12)C(C)(C)C 800804813 JGVUHSRMAJCNSV-LLVKDONJSA-N 256.353 3.710 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Br)cc1F 294310811 YHMYLOQACOFDBB-UHFFFAOYSA-N 286.144 3.739 30 20 CHED C=CCCCCNC(=O)c1cc(Cl)cc2cccnc12 471697406 OOIGGFHVYXKREP-UHFFFAOYSA-N 288.778 3.974 30 20 CHED C[C@@H]1CCC[C@H]1NCc1cc(C#N)ccc1Br 800390500 CUUKZVRATWPDBL-QMTHXVAHSA-N 293.208 3.599 30 20 CHED C#Cc1ccc(CNCc2c(F)cccc2SC)cc1 809690073 ZRIYKRYLMBILLJ-UHFFFAOYSA-N 285.387 3.819 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 295488945 JTONEEMFEXNUPG-UHFFFAOYSA-N 283.375 3.601 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cnc3ccc(C)cn23)no1 568500465 POCAHUVAQAZAQA-UHFFFAOYSA-N 282.347 3.546 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CCc3ccccc31)CC2 562096287 QKYOXYKYIJWWEG-XLIONFOSSA-N 288.394 3.865 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC1(F)F 294523344 YXRAGZNDNBSCHV-VIFPVBQESA-N 291.750 3.571 30 20 CHED CCCc1occc1C(=O)N[C@@H](C#N)c1ccc(CC)cc1 568524862 PFJUSWBBPLPEMG-INIZCTEOSA-N 296.370 3.789 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCCSC(C)C 568117618 YKENJLAPARHJMX-UHFFFAOYSA-N 298.477 3.587 30 20 CHED COc1ccc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)cc1C#N 393537322 AZTIBFSVSHUDAT-HZPDHXFCSA-N 284.403 3.577 30 20 CHED COc1c(C)cc(C(C)=NOC2CCC2)cc1Cl 812236002 FWWDEFHZQXSGPB-UHFFFAOYSA-N 267.756 3.950 30 20 CHED C[C@H]1CC(=NNC[C@@H]2CCSC2)c2ccsc2S1 811661941 XHTLUXXMOUXVLF-UWVGGRQHSA-N 298.502 3.679 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(OC)cc1Cl 818332934 RWHKYXBJZLTJOQ-VIFPVBQESA-N 260.164 3.752 30 20 CHED CC1(C)CCC/C(=C/c2ccc(C#N)c(F)c2)C1=O 817346233 RTJPKASJNKMPDL-WQLSENKSSA-N 257.308 3.860 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1C[C@H]2CC[C@H]1C2 814922541 MLBOTNVXWQPYTP-UWVGGRQHSA-N 278.787 3.841 30 20 CHED CSCCON=C1CC[C@@H](Cc2ccccc2)C1 814921910 JPZAORXFUWWTAG-AWEZNQCLSA-N 263.406 3.765 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(C#N)s1)C1CC1 487281211 SUXYEUVFBTUDOW-MNOVXSKESA-N 276.405 3.659 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1c(C)oc2ccccc12 488824866 YMOLENFXXXITAF-CQSZACIVSA-N 283.371 3.851 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H]2CC23CCCC3)cc1 571578203 GSBXYTJSTKOJIY-DLBZAZTESA-N 296.414 3.852 30 20 CHED CC(C)[C@@H]1CC(=NNc2cccc(F)c2)CS1 814815036 KLJXNLNRMYTGSC-ZDUSSCGKSA-N 252.358 3.755 30 20 CHED C=CCCC(C)(C)NCc1cc(COC)cs1 657806856 WDNUSKOCCRDGGI-UHFFFAOYSA-N 253.411 3.729 30 20 CHED C=CCCCCOC(=O)[C@H](CC)OC1CCCC1 811011634 GJAMWRCOLRBJQO-AWEZNQCLSA-N 254.370 3.624 30 20 CHED COc1cccc(O)c1C=Nc1ccc(Cl)cc1F 812389413 ICLDUFOHPSSJJK-UHFFFAOYSA-N 279.698 3.944 30 20 CHED CCN(CCCN1CCCCC1)[C@H](C)c1ccc(C#N)cc1 482699883 OQURACWTCRHQQO-QGZVFWFLSA-N 299.462 3.817 30 20 CHED N#Cc1cncc(N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 574305967 DXNMWHOBRULGGX-OCCSQVGLSA-N 298.777 3.750 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(C)cn1)c1ccc(Cl)cc1 810204336 QBKSBSHBUBSDSO-CQSZACIVSA-N 299.761 3.539 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N[C@H](C#N)CC(C)C)cc1C 726560503 ZPTKEXDVJHTMAQ-TUYSUELWSA-N 284.403 3.680 30 20 CHED CCCc1cccc(C=NN[C@@H](C)c2ccncc2)c1 819815713 CLGUGODCNFWDBO-AWEZNQCLSA-N 267.376 3.719 30 20 CHED CC[C@@H](C=NNc1nccnc1Cl)c1ccccc1 814850514 QSRFVXKSLHXSIJ-NSHDSACASA-N 274.755 3.722 30 20 CHED COCCCNN=C1CCCC[C@@H]1C1CCCCC1 814920251 HGGVGOQNSKUVAD-OAHLLOKOSA-N 266.429 3.739 30 20 CHED CC#CCCNC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 480546255 AZQFRGXNKSCDJR-UHFFFAOYSA-N 295.169 3.618 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H](C)c1nc2ccccc2n1C 820162631 ZGHBXYQUKVJTJP-LBPRGKRZSA-N 286.375 3.780 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2scnc2C)n1 572385264 DATZPIGYGPAJFL-VOTSOKGWSA-N 275.377 3.859 30 20 CHED CC(=NNc1ncnc2sccc12)c1ccc(C)s1 725818821 BWMPPTSKLFZJOV-UHFFFAOYSA-N 288.401 3.897 30 20 CHED CC(Cc1ccsc1)=NNc1nc(-c2ccccc2)no1 729638869 JHCMQHRSIWMXNM-UHFFFAOYSA-N 298.371 3.829 30 20 CHED C#CCCCOC(=O)C1(c2ccc(F)cc2)CCCC1 727040813 ICSRJWAJSNHOHH-UHFFFAOYSA-N 274.335 3.594 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C(C)=C1CCC1 825721203 LMXKIFIHXBXAGV-UHFFFAOYSA-N 262.397 3.665 30 20 CHED Cc1cccc2c(C(=O)OCCCSCC#N)coc12 820864563 AROZCZDYIOSDOU-UHFFFAOYSA-N 289.356 3.545 30 20 CHED CC(C)C[C@@H](C)OC(=O)N[C@H](C)c1ccc(C#N)cc1 829942459 KBDNXDPMQABLGO-CHWSQXEVSA-N 274.364 3.780 30 20 CHED C#Cc1cccc(NC(=S)NC(C)(C)c2ccccc2)c1 726480492 IHDCMOQQPBJINC-UHFFFAOYSA-N 294.423 3.890 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNc1cnnc(O)c1Cl 727255641 LEOHAKBXLVADNE-JTQLQIEISA-N 296.802 3.840 30 20 CHED C#CCCCCC(=O)Oc1ccc(C(C)=O)c(Cl)c1 906243832 BBIMXNVVIJHOGN-UHFFFAOYSA-N 278.735 3.642 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 726909156 XZMXISIAJICVNP-JONQDZQNSA-N 292.492 3.728 30 20 CHED N#CC1(CN[C@H]2CCCc3c2[nH]c2ccc(F)cc32)CC1 903108593 FASNEKIADCXQPL-HNNXBMFYSA-N 283.350 3.578 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c2ncccc12 905928560 DXALEMQTHURGSZ-KGLIPLIRSA-N 294.354 3.782 30 20 CHED C#C[C@@H](NCc1cnn(C(C)C)c1)c1ccc(Cl)cc1 491771981 PROJCPYPPNMAGY-MRXNPFEDSA-N 287.794 3.582 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)c1ccncc1 734455865 PCMSXJOJGQUQSQ-MAUKXSAKSA-N 294.398 3.694 30 20 CHED C=CCN(C)C(=O)c1ccc(OCC2CCCCC2)cc1 490037841 YXZHIHMQXZVLIB-UHFFFAOYSA-N 287.403 3.904 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)C1(C2CCCCC2)CC1 905976656 OWQXLMZJCZGGFK-UHFFFAOYSA-N 296.414 3.877 30 20 CHED CCO[C@@H]1CCC[C@H](N[C@H](C)c2cccc(C#N)c2)C1 902826608 GFJCVJVZSHFOAG-XOKHGSTOSA-N 272.392 3.557 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 581504772 IATWENWOVBMLTA-JFIYKMOQSA-N 284.403 3.769 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1cc(CC#N)ccn1 582765930 ZWCJLSWWYWYAJW-AWEZNQCLSA-N 273.380 3.549 30 20 CHED O=C(C1[C@H]2CCCCCC[C@H]12)N(O)Cc1ccc(F)cc1 901376067 OSCOGSOJSZVHJD-GJZGRUSLSA-N 291.366 3.760 30 20 CHED COc1cccc(/C=N\C2C[C@H](C)C[C@@H](C)C2)c1O 739425933 HGOPPLVTZJYZAP-RISRJPFHSA-N 261.365 3.644 30 20 CHED C=CCCC1(CN[C@@H]2CC[C@H](CC(=O)O)[C@@H]2C)CCCC1 902424279 ULLKSDYTBPIDBN-ARFHVFGLSA-N 293.451 3.992 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1ccccc1OC(F)F 903100572 UGMYWCHAVOPTQS-GFCCVEGCSA-N 282.334 3.878 30 20 CHED Cc1ccc(SCC(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 839044666 TTXPIHFVOPLWFI-ZIAGYGMSSA-N 289.400 3.713 30 20 CHED CCCCCN(C(=O)CCCCCC#N)C(C)C 588751113 WPOYNUJEDFYXMF-UHFFFAOYSA-N 252.402 3.888 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C(=O)O)c1ccc(F)c(C)c1 901844370 UULFESGTDYSAPL-UKRRQHHQSA-N 279.355 3.594 30 20 CHED C[C@@](C#N)(NC(=O)C[C@@H]1C=CCCC1)C1CCCCC1 582881202 JYUFNPFQFXXVMU-PBHICJAKSA-N 274.408 3.712 30 20 CHED Cc1csc(NC(=O)N(C)CCc2ccccc2)c1C#N 580089957 GAEVRPCECSXGRC-UHFFFAOYSA-N 299.399 3.635 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cccc(OCC#N)c1 731320972 CJMYHBVSRKOKPM-YVMONPNESA-N 295.313 3.933 30 20 CHED N#CCCCCCC(=O)Nc1ccc2c(c1)C(=O)CCC2 672461084 AKYFIMMXVDYYMS-UHFFFAOYSA-N 284.359 3.618 30 20 CHED CC(C)CO[C@@H]1CC(=NNc2cccc(C#N)c2)C1(C)C 737429018 LSRDSMPEQDYVHH-MRXNPFEDSA-N 285.391 3.797 30 20 CHED C#CCCCOC(=O)c1cc(Cl)cc(Cl)c1 918498102 LPCVFWRQTOLTHR-UHFFFAOYSA-N 257.116 3.564 30 20 CHED C/C(=C/C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 839048464 MTSODXAPARKQNY-PXXUHZIESA-N 269.344 3.715 30 20 CHED C[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)c1cccs1 593948328 JQNUNJGWXZXFRL-OLZOCXBDSA-N 298.411 3.676 30 20 CHED CCC#C[C@H](C)N[C@@H](c1ccc(OC)cc1)C1CC1 678893775 TUWCMUIYBWHHAY-SUMWQHHRSA-N 257.377 3.538 30 20 CHED C=C(C)CNc1cc(Cl)ccc1C(=O)N1CCCCC1 917814946 ISYGQAIPZASXFN-UHFFFAOYSA-N 292.810 3.954 30 20 CHED COc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1C 595106074 REMWTDIDNIOBNN-CQSZACIVSA-N 280.371 3.726 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1ccc(F)cc1F 748998088 JRTDNTYRUPFSSQ-ORCRQEGFSA-N 279.673 3.909 30 20 CHED CC(C)(C#N)c1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1 839060838 YXUSACVWICUBLO-CZUORRHYSA-N 296.370 3.727 30 20 CHED C=C(C)CN1CCC[C@@H]1COc1ccc(Cl)cc1 914820917 NQNBZBDZGUKZJB-CQSZACIVSA-N 265.784 3.759 30 20 CHED C=CCCC(=NNc1cccc(C(=O)O)c1)C1CC1 747736596 RJOIDMXPULWXKR-UHFFFAOYSA-N 258.321 3.529 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(-c2csc(C)n2)cc1 593392302 RIPIZLPVXTYNKO-NSHDSACASA-N 285.372 3.607 30 20 CHED Cn1ccnc1NN=C1CC[C@H](c2cccc(Cl)c2)C1 841635579 DEIYLZAWRSMIPD-LBPRGKRZSA-N 288.782 3.809 30 20 CHED CC(CCc1ccco1)=NNCc1cc(F)ccc1F 915978900 HCYORLWFXBSSIT-UHFFFAOYSA-N 278.302 3.656 30 20 CHED C#CCCCCC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 843664090 FDHKDZJKQPEXOE-OAHLLOKOSA-N 295.386 3.625 30 20 CHED Fc1ccc(/C=C\C=Nn2cnc3ccccc32)cc1 747752037 URMKMJXMURFBNU-YEYGOYOGSA-N 265.291 3.723 30 20 CHED CC(=NN[C@H](C)c1ccncc1)[C@H]1C[C@H]2C=C[C@H]1CC2 842535752 LNLPZUDQEJHMJO-NQZOLGFYSA-N 269.392 3.710 30 20 CHED N#CC[C@@H]1CCCN(Cc2csc(-c3ccoc3)n2)C1 595613724 GSEGHKNVJNMJES-LBPRGKRZSA-N 287.388 3.529 30 20 CHED C=C(Cl)COC(=O)CCCOc1ccccc1Cl 747939670 SHCZFFAAYVDAFY-UHFFFAOYSA-N 289.158 3.795 30 20 CHED C=CCNC(=S)N[C@@H](c1ccccc1)C1CCCCC1 916000503 FHRRLIQFLCUAJW-INIZCTEOSA-N 288.460 3.958 30 20 CHED C[C@@H]1/C(=C\c2c(C3CC3)cnn2C)C(=O)c2ccccc21 849249590 JNBYTMRKKSMUCW-ZRRZQRFHSA-N 278.355 3.681 30 20 CHED CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C)C#N 595813562 VKTXDRSBBWSCMS-NSHDSACASA-N 289.766 3.729 30 20 CHED CCCOc1cncc(-c2ccc(C#N)cc2C)c1 596637373 JCLRBNHJVSQCHI-UHFFFAOYSA-N 252.317 3.718 30 20 CHED Cc1cc(C(=O)/C=C/c2ccnn2CC(C)C)cs1 843270365 ZJKNVRJPGPJDIW-SNAWJCMRSA-N 274.389 3.805 30 20 CHED CSCC1(CCNc2cccc(F)c2C#N)CC1 596428167 MHBZARLOQVVVMH-UHFFFAOYSA-N 264.369 3.643 30 20 CHED COc1ccc(F)c(CN[C@@H](C)c2cccc(C#N)c2)c1 590186799 AYKZKARTWQVAOP-LBPRGKRZSA-N 284.334 3.557 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCc1c(C)cccc1F 743127333 HBSGHDFCVVVQHL-UHFFFAOYSA-N 297.333 3.636 30 20 CHED Cc1cc(C#N)ccc1NCc1ccc(CCN(C)C)cc1 846754579 SZQVQHWQCXKCRA-UHFFFAOYSA-N 293.414 3.583 30 20 CHED CC(C)c1ccc(CCN2CCC[C@@H](CC#N)C2)cc1 597177507 NOEFCQOUDXVCOR-KRWDZBQOSA-N 270.420 3.978 30 20 CHED C#CCCCNC(=N)Nc1ccc([C@@H](C)CC)cc1 849010989 HYEVOTAVICWTEV-ZDUSSCGKSA-N 257.381 3.550 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H]1CCc2ccccc21 684939696 UUTUFNDNDPVMOK-CABCVRRESA-N 257.377 3.577 30 20 CHED C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)C1 842941452 PTDNQEGQBPHPMV-YUSALJHKSA-N 274.389 3.633 30 20 CHED C=CCOc1cccc(NC(=O)c2nc(C)c(C)s2)c1 683541109 RKNLRLNKQLHUGY-UHFFFAOYSA-N 288.372 3.577 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 755378341 ZVALTBQVLSNOHF-IUODEOHRSA-N 272.392 3.868 30 20 CHED C=CCCCOC(=O)c1cnc(C)c(Cl)c1Cl 758520262 TVYNGJMGKXNONA-UHFFFAOYSA-N 274.147 3.820 30 20 CHED C=C(CC)COC(=O)c1scc(C)c1Br 753653211 IOTFYSAROXKYQF-UHFFFAOYSA-N 289.194 3.942 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1F)c1cccnc1 758016287 FKMWDURHEFPPJR-FFYFFONTSA-N 271.266 3.812 30 20 CHED N#Cc1cc(F)c(C(=O)OC/C=C\c2ccccc2)c(F)c1 756225252 JIBOBNHKJQHJKT-DAXSKMNVSA-N 299.276 3.707 30 20 CHED C#CCCCC(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 759340705 AXALQJCTIFPYIJ-RWMBFGLXSA-N 288.416 3.789 30 20 CHED C=C(C)C(C)(C)C(=O)N(Cc1ccccn1)CC(C)C 928736827 LZYWJCWEWRRWDU-UHFFFAOYSA-N 274.408 3.669 30 20 CHED Cc1[nH]c2ccc(C(=O)N[C@H](C#N)C3CCCC3)cc2c1C 921536205 HUOQUUQKGXTDEU-QGZVFWFLSA-N 295.386 3.597 30 20 CHED CCCCCC[C@H](CC)C(=O)N(CC)[C@@H](C)C#N 856074933 FWZIDXDSWQAKKS-KBPBESRZSA-N 252.402 3.744 30 20 CHED Cc1ccc(-c2nnc([C@H](C)ON=CC3CC3)o2)cc1C 853735135 OWHORGLIINNFMS-LBPRGKRZSA-N 285.347 3.827 30 20 CHED CCC(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1F 756856547 YQBUTWJEXKXAQJ-UHFFFAOYSA-N 296.301 3.542 30 20 CHED C[C@@H]1[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)CCC[C@H]1C 920943102 NMLWONCHPJZJMC-GOPYKCFCSA-N 276.336 3.544 30 20 CHED CC(C)(CCC#N)CNC(=O)OCC1CCCCC1 859160345 VBSSLGBUFATRBO-UHFFFAOYSA-N 266.385 3.623 30 20 CHED C#Cc1cccnc1NC[C@@H]1CCCCC(F)(F)C1 853642521 HZLYYQUSROIOTG-GFCCVEGCSA-N 264.319 3.690 30 20 CHED N#CCc1ccc(C(=O)OCc2cccc(Cl)c2)cc1 758689738 LKSFGVWFMHKMCE-UHFFFAOYSA-N 285.730 3.763 30 20 CHED COC(=O)CCC(C)=NNc1c(Cl)cccc1Cl 756894861 AXBNVBGDOQHBRZ-UHFFFAOYSA-N 289.162 3.734 30 20 CHED Clc1cncc(NN=C2CCC(=C3CCC3)CC2)n1 853289920 UYDYEQYOGBLNHC-UHFFFAOYSA-N 276.771 3.952 30 20 CHED N#Cc1ccc(N(C(=O)C=C2CCC2)C2CCC2)cc1 857675968 FIHCVZBLAHLRBC-UHFFFAOYSA-N 266.344 3.554 30 20 CHED C[C@H](OC(=O)C[C@@H](C)c1ccncc1)c1cccc(C#N)c1 759307080 SBQHXVCMBKMSPD-KGLIPLIRSA-N 294.354 3.751 30 20 CHED CC[C@H](CC#N)OC(=O)C1(C(F)(F)F)CCCCC1 850978788 BBHNFZKWYZBVJX-SNVBAGLBSA-N 277.286 3.735 30 20 CHED Clc1cc(NN=Cc2csc(C3CC3)n2)ccn1 853393790 BZWMGFNNDWQSFZ-UHFFFAOYSA-N 278.768 3.515 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nn(-c2ccccc2)cc1C 932204657 ZSZPFGASPDONSG-CQSZACIVSA-N 283.375 3.722 30 20 CHED CCCCCCCCOC(=O)c1cn(C)nc1C(F)F 754982837 ICKBMWVIKAYJBY-UHFFFAOYSA-N 288.338 3.875 30 20 CHED CCn1nccc1/C=C1\CCc2ccc(Cl)cc2C1=O 761204487 CLNVJEZPQHXACA-FMIVXFBMSA-N 286.762 3.769 30 20 CHED CC[C@@H](NCC[C@@H](O)C1CCCC1)c1ccc(C#N)cc1 866638482 QTQCLKZRRQYNFH-QZTJIDSGSA-N 286.419 3.540 30 20 CHED Cc1sc2ncnc(NN=C[C@@H](C)CCC#N)c2c1C 765993947 CCOYFWBAIBLIDG-VIFPVBQESA-N 287.392 3.646 30 20 CHED COc1ccc(N(C)CCCCC(C)(C)C#N)c(OC)c1 769768840 AICBTASJILXNQD-UHFFFAOYSA-N 290.407 3.860 30 20 CHED C#CCOc1cccc(OCc2ccc3ncccc3c2)c1 769829877 KBHANPGTVHAQTP-UHFFFAOYSA-N 289.334 3.826 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCOC[C@@H]1OCC 768528578 FKHPNDAGIDDKEG-JYJNAYRXSA-N 271.445 3.519 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 935787333 MQGGGLVDGZNWGT-MGPQQGTHSA-N 275.367 3.790 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1 933093357 KDCNNHLENSWAKR-LLVKDONJSA-N 293.317 3.782 30 20 CHED C[C@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)C(C)(C)C#N 765957627 FTQKUCIXTHAWSN-HWPRWLFBSA-N 282.343 3.663 30 20 CHED C#CCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)CC(F)(F)F 768531583 FSAVGRYJSGPAFZ-WCQYABFASA-N 285.309 3.791 30 20 CHED CCCCCCCNC(=O)c1c(C)cccc1[N+](=O)[O-] 862357274 RPYPTTJCGWHVTC-UHFFFAOYSA-N 278.352 3.603 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)C(CC)CC)c1ccccc1 761782549 KMTYVDIJZLZUPH-PBHICJAKSA-N 271.404 3.940 30 20 CHED CC(C)CCOc1ccc(-c2nnc(C(C)(C)C#N)o2)cc1 1117215154 HMHQFCATAHXXQM-UHFFFAOYSA-N 299.374 3.963 30 20 CHED CCC[C@@H](CC)C(=O)[C@H](C#N)c1nc2ccccc2o1 873498357 AAAFGARUPJFFHC-NEPJUHHUSA-N 270.332 3.830 30 20 CHED CC(CCc1ccsc1)=NNc1ccc(C(=O)O)cc1 764892262 USVHOAQSNULGCA-UHFFFAOYSA-N 288.372 3.867 30 20 CHED C=C[C@@H](COC)N[C@H](CCC)c1ccc(Cl)cc1 1116643654 ROERLNAGRKPXPW-LSDHHAIUSA-N 267.800 3.972 30 20 CHED C=CCC[C@@H](C(=O)OCC1(C#N)CC1)c1ccccc1 778550755 DSHOGHAIKHAIMW-OAHLLOKOSA-N 269.344 3.583 30 20 CHED C=C(Cl)CN[C@@H](C)[C@H](C)c1ccc(OC)cc1 773005054 NNXGWMRDTCXGOR-RYUDHWBXSA-N 253.773 3.529 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)Oc2cc(F)ccc21 773174090 VFFMFXSUIDDTDW-VGOFMYFVSA-N 258.223 3.581 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1C[C@@H](O)c1cccs1 876802105 BNAUCGYXGGKINA-QLFBSQMISA-N 292.448 3.576 30 20 CHED Cc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)c(F)c1 1117232150 XSFKUJFPENVGBH-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C=C(C)COC(=O)[C@H](C)CSCc1ccccc1 772970951 GKUAGZWKIGKWSP-CYBMUJFWSA-N 264.390 3.675 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@@H]1CC[C@H](C)O1 777349612 BSSFFRMPSKNQRX-STQMWFEESA-N 292.400 3.689 30 20 CHED COCC(=NN[C@H](Cc1ccccc1)C(C)C)C(C)C 777448092 LIZUPABEZKUBLJ-MRXNPFEDSA-N 276.424 3.502 30 20 CHED C=CCN(CCc1ccco1)C(=S)NC1CCCCC1 778533091 GYRYWYPIUFSZHO-UHFFFAOYSA-N 292.448 3.517 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 776205461 YMVDRCMBZBQPAR-NSHDSACASA-N 293.392 3.626 30 20 CHED Clc1cscc1C=NNc1cnc2ccccc2n1 771883098 DGNVXIQAMFBSSM-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C#Cc1cccc(NC(=O)N(CC=C)CCc2ccco2)c1 779016269 TYIHUAUJMGIHSP-UHFFFAOYSA-N 294.354 3.524 30 20 CHED C#CCCCCCC(=O)N1CCOc2ccc(Cl)cc21 779962872 HRMCZALONZWRLO-UHFFFAOYSA-N 291.778 3.649 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccccc1C(F)(F)F 776362041 XEWXSIRTSSECAP-UHFFFAOYSA-N 285.265 3.802 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)cnc1Cl 879390204 BJRBRQDPUZMBFY-NSHDSACASA-N 266.772 3.518 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@H]1C1CCC1 1122548506 JWMUADJKPBYROI-LBPRGKRZSA-N 296.365 3.561 30 20 CHED C[C@@H](COc1ccccc1)N[C@@H](C)c1ccc(C#N)c(F)c1 776733636 BULSNCWLAOMVFQ-KBPBESRZSA-N 298.361 3.815 30 20 CHED C=C(C)CCC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 1120629224 MUNJATZWKGOYFD-WDEREUQCSA-N 263.303 3.532 30 20 CHED CC[C@@H]1CC(=NNc2nc3ccccc3cc2C)CCO1 776785083 CTRLUPIVSARGDE-OAHLLOKOSA-N 283.375 3.900 30 20 CHED COc1ccc2nc(NN=C[C@@H]3C[C@H]3C)c(C)cc2c1 777913688 QBIAOCUPUHSJLB-MFKMUULPSA-N 269.348 3.606 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccncc1 778536611 ZNDAVBRKJHWHQO-JTQLQIEISA-N 286.718 3.525 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(Cl)ccc1NC(C)=O 1123629948 DPRKUBTUEGJGBS-UHFFFAOYSA-N 294.782 3.839 30 20 CHED CCSc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 883245261 IDNDDRCSVWPKDZ-UONOGXRCSA-N 260.406 3.580 30 20 CHED Cc1nc(Cl)cc(NN=Cc2sccc2Cl)n1 782230855 FDGOCMTZBCZKDN-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C=CCCCCCCCNC(=O)N(C)CC1CCC1 1123612873 LMVXPEDKPCDNDM-UHFFFAOYSA-N 266.429 3.955 30 20 CHED O=C1/C(=C/c2coc3ccccc23)Cc2cc(O)ccc21 780188562 NFJIOQNFLOXBMG-XYOKQWHBSA-N 276.291 3.961 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](c1ccccn1)C1CC1 1123713765 GXYHSLXDPGJFTB-RDJZCZTQSA-N 299.418 3.673 30 20 CHED CC[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc(C#N)cc2)CC1 782397054 HUWPYSXBHSXLKK-SAZUREKKSA-N 299.370 3.501 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccccc1Cl 782299047 FGUJQOHCPGHOKJ-CYBMUJFWSA-N 250.773 3.842 30 20 CHED CCCCNN=Cc1ccc(SC(F)F)cc1 781589094 BMMOHLYVLNKQAI-UHFFFAOYSA-N 258.337 3.725 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1cc2ccsc2[nH]1 784634520 RRRTULNMOXIIDT-HNNXBMFYSA-N 293.388 3.615 30 20 CHED Cc1cc(C)cc(NN=C2CCC(=O)Nc3ccccc32)c1 783809293 BPOXZUXEDUFQQR-UHFFFAOYSA-N 293.370 3.852 30 20 CHED CCON=Cc1cc(Cl)cc(C(F)(F)F)c1 780210783 WEAMOBJLPGBQNO-UHFFFAOYSA-N 251.635 3.729 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNCCC(=O)OC(C)(C)C 783869103 SZULXGHQTHAULF-OLZOCXBDSA-N 282.428 3.510 30 20 CHED CC[C@@H](C(=O)N(CC#N)c1ccccn1)C1CCC(C)CC1 892471628 SKBASXRSIRSGPQ-UYSNPLJNSA-N 299.418 3.791 30 20 CHED Cc1ccc(F)cc1COC(=O)/C=C/c1ccccc1C#N 782249992 OZULJVFGJIGNNT-VQHVLOKHSA-N 295.313 3.762 30 20 CHED C[C@]1(C#N)CCCN(C(=S)Nc2ccc(Cl)cc2)C1 783774036 QPPKJURSNWFFNL-CQSZACIVSA-N 293.823 3.662 30 20 CHED C=CC(C)(C)CC(=O)Nc1ncc(Cl)cc1C 891084310 NFKOWQTUOMNTAI-UHFFFAOYSA-N 252.745 3.584 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(C)c(C#N)c2)C1 799340188 HSODGFLHXUTWPK-CZUORRHYSA-N 270.376 3.565 30 20 CHED CC1(C)C[C@]1(NC(=O)c1ccc(C#N)s1)c1ccccc1 1131667961 XELHWOATTTVXIJ-KRWDZBQOSA-N 296.395 3.675 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1=C(CC)OCCC1 790253624 WCEXWNIQIXEOSF-UHFFFAOYSA-N 291.416 3.737 30 20 CHED C#Cc1cncc(C(=O)N[C@H](CC)c2cccc(Cl)c2)c1 798279356 NJBYBYOFAZWLBE-MRXNPFEDSA-N 298.773 3.597 30 20 CHED Cc1cc(CN(Cc2ccccn2)CC(C)C)ccc1C#N 1207630844 HADWRFSHFAJUNF-UHFFFAOYSA-N 293.414 3.920 30 20 CHED C#C[C@H](CCC)NC(=O)Cc1coc2c(C)c(C)ccc12 791202619 SEWDHCZXGSTGKP-OAHLLOKOSA-N 283.371 3.510 30 20 CHED C[C@H]1CC[C@H](Nc2c(Br)cccc2C#N)C1 1307210311 HAPDNQKIKKYFJY-ONGXEEELSA-N 279.181 3.921 30 20 CHED CCCCCCCN1CCN(C2CCC2)C[C@H](C)C1 795120819 MMNXYVOGTWRUFQ-MRXNPFEDSA-N 266.473 3.763 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccnc(F)c1 794718894 GMUIKHFULLVCEJ-HNQUOIGGSA-N 297.116 3.819 30 20 CHED CC(C)c1ccc(C=NOCCO[C@H]2CCCCO2)cc1 799584452 NMBPZPDHTAOHBV-KRWDZBQOSA-N 291.391 3.704 30 20 CHED Cc1cccnc1NN=Cc1cc(C)c2ncccc2c1 790186624 NUQFNUHCEOHGEW-UHFFFAOYSA-N 276.343 3.693 30 20 CHED CC(C)(C#N)CCCN1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 792910711 VUCHSFGUXBQJLA-DGCLKSJQSA-N 289.250 3.832 30 20 CHED N#C[C@H](C(=O)[C@H](F)CC1CCCCC1)c1ccccn1 796632864 NZFCLRGFVZHAPQ-UONOGXRCSA-N 274.339 3.566 30 20 CHED CC(C)C1CCC(C=NNc2ncncc2Cl)CC1 794933659 ZKZAGVWHDKDQCP-UHFFFAOYSA-N 280.803 3.990 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NN[C@H](C)C(C)(C)C 793112215 RLHKCUUWVDEPQL-LLVKDONJSA-N 275.371 3.974 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNCCC(=O)OC(C)(C)C 797403152 BSRBUGMZFGEWJW-QWHCGFSZSA-N 282.428 3.510 30 20 CHED CCC(=NNc1ncccc1C)c1ccc(F)cc1 790191143 SDGUNPFDCGJXCQ-UHFFFAOYSA-N 257.312 3.755 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@H](F)Cc1ccccc1 799443835 AWLUSPMKYXANTR-MRXNPFEDSA-N 297.329 3.607 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OCOCC)cc1 798501008 DLSHVEDSTKGJAQ-OAHLLOKOSA-N 263.381 3.504 30 20 CHED CC1(C)CC[C@H](CNc2cc(C#N)cnn2)c2ccccc21 1307072716 PZGXWLSVALQNTK-CQSZACIVSA-N 292.386 3.615 30 20 CHED CCSc1ccccc1CCNc1ccnc(C#N)c1 1307204899 ZUQQGUMZUNEFOO-UHFFFAOYSA-N 283.400 3.720 30 20 CHED Cc1cccc(N(C)Cc2cccc(C#N)c2F)c1C 1167108595 RXTGXGTYOVXRNV-UHFFFAOYSA-N 268.335 3.951 30 20 CHED COc1ccccc1C(C)=NNc1ccc(C(C)(C)C)nn1 1321921651 REJQBUNQHVASRF-UHFFFAOYSA-N 298.390 3.619 30 20 CHED N#Cc1ccc(-c2nnc(/C=C\C3CCCC3)o2)cc1 1327867274 WPOVKDZZRSDWPK-YFHOEESVSA-N 265.316 3.812 30 20 CHED CCCN(Cc1ccccc1)Cc1cccc(C#N)c1 57850237 GKKWHSMAEBFMLF-UHFFFAOYSA-N 264.372 3.970 30 20 CHED CC(C)C[C@H](CNc1ccc(C#N)c(Cl)c1)N(C)C 301247173 OMUXMLKLEDZXAS-CQSZACIVSA-N 279.815 3.600 30 20 CHED Cc1cccc2c1CC[C@@H]2NCc1ccc(C#N)cc1 105496742 MGWLEMMASNAAKQ-SFHVURJKSA-N 262.356 3.644 30 20 CHED Cn1ccc(NN=C2CCCCc3ccc(Cl)cc32)n1 1320695717 IINGSXHTMUHFEL-UHFFFAOYSA-N 288.782 3.616 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](CCC=C)c1ccccc1 1322949439 NNNLPVILRXIGHM-SFHVURJKSA-N 296.414 3.749 30 20 CHED N#Cc1ccnc(/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1256278553 HREFEXKVXJTUMF-HNQUOIGGSA-N 285.690 3.685 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(Nc2ccccc2)CC1 1334112717 YPNACRDZWKOPRK-OAHLLOKOSA-N 286.419 3.692 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc(Br)cc1 695866397 YPQXFEUAOMNAJM-LLVKDONJSA-N 295.224 3.867 30 20 CHED N#Cc1cccc(Cn2nc(Cl)c3ccccc32)c1F 767400033 RYFFPXITZLYAGE-UHFFFAOYSA-N 285.709 3.749 30 20 CHED CCC1(C(=O)Nc2ccc(F)c(C#N)c2)CCCC1 94901765 UEJRXCSFFWANPZ-UHFFFAOYSA-N 260.312 3.606 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NNc1ccc(F)cn1 1338742803 OEAPERILTVNXTK-JTQLQIEISA-N 285.322 3.558 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2cccc(F)n2)C1(C)C 1344002938 DUMWGJMAXSMXRF-ZOWXZIJZSA-N 286.350 3.635 30 20 CHED CC(C)(NC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 1343990517 QINUWMZEKMMROX-UHFFFAOYSA-N 299.418 3.716 30 20 CHED Cc1cc(C)c2cc(C(=O)O[C@H](C#N)C(C)C)sc2n1 1344435480 FHMOXRYVYKDXID-GFCCVEGCSA-N 288.372 3.618 30 20 CHED C=C(CC)C(=O)Nc1cc(F)c(SC)c(F)c1 1346531106 KICVGYQXVCGOGJ-UHFFFAOYSA-N 257.305 3.591 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1cccc(Br)c1 155230617 KKRUMCRHHFMAEC-NEPJUHHUSA-N 295.224 3.992 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cccc(C3CCC3)c2)C1 1357651772 VIQSCVGYMWPUOO-BLLLJJGKSA-N 269.344 3.803 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccc(F)cc2Cl)c1 1436642860 JSHNVOZUSDHWQR-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@@H](NC(=O)c1sccc1C#N)c1ccc2c(c1)CCC2 1435760725 SUIZCPNEFNGRMO-LLVKDONJSA-N 296.395 3.599 30 20 CHED Cc1cccc([C@H](C)NC(=O)[C@H](CC#N)c2ccccc2)c1 1357466958 LZDUSAZFJOFVSA-MAUKXSAKSA-N 292.382 3.870 30 20 CHED CCCCCCCn1cc(Br)ccc1=O 103948480 JRBZPZBCVULYKA-UHFFFAOYSA-N 272.186 3.581 30 20 CHED CC(=O)c1c(F)cccc1OCCc1ccc(C#N)cc1 1459254715 VLKTVDKJPNBGFS-UHFFFAOYSA-N 283.302 3.521 30 20 CHED Cc1cc(Cl)cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 1528082144 UXMGXLWGLPATIP-RISCZKNCSA-N 277.751 3.888 30 20 CHED Cc1nc(Oc2cnc3c(C)cccc3c2)ccc1C#N 1458449094 ZOXXFQFTIJPLSY-UHFFFAOYSA-N 275.311 3.911 30 20 CHED C=C(CC)CN[C@@H](c1ccc(C(=O)O)cc1)C(F)(F)F 1602774649 UDRVQXJKVXXOAS-LBPRGKRZSA-N 287.281 3.544 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)c2ccccc21 1460566760 RBPJNSAJBMDPOW-UHFFFAOYSA-N 268.385 3.918 30 20 CHED C[C@@H]1[C@@H](CNC(=O)[C@H](CC#N)c2ccccc2)CCC[C@H]1C 1542595909 WMXURZBPNNEAIK-CYGHRXIMSA-N 298.430 3.872 30 20 CHED C=C[C@H](C(=O)NC1CCC(C(F)F)CC1)c1ccccc1 1548719467 NMYFYGMZEIKYMY-NRXISQOPSA-N 293.357 3.896 30 20 CHED C=C(CNCc1cc2cnccc2o1)c1ccccc1 1473982362 JDUUZSUSBPAEIG-UHFFFAOYSA-N 264.328 3.631 30 20 CHED Cc1cc(N2CCC=C(c3ccccc3)C2)c(C#N)cn1 1642674857 QGBCXVBDHRZJJO-UHFFFAOYSA-N 275.355 3.555 30 20 CHED COc1cc(OCc2ccc(C)c(F)c2)ccc1C#N 1656503792 MZUDZNVJJUJZKU-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1587347453 MQLQKLAVCICEPJ-OLZOCXBDSA-N 296.374 3.589 30 20 CHED N#Cc1ccc(CCSc2cccc(C#N)c2)cc1 1651840303 JBKHCMDIVCNZNC-UHFFFAOYSA-N 264.353 3.765 30 20 CHED COc1cc(COc2c(C)cc(Cl)cc2C#N)ccn1 1652050799 NPWMPMLIHGHUQP-UHFFFAOYSA-N 288.734 3.503 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNc1ncccc1C#N 1655570506 IOOOAMSDLYAVKF-UKRRQHHQSA-N 257.381 3.972 30 20 CHED C[C@H]1CN(C(=O)c2ccc(C#N)cc2F)[C@H]1c1ccccc1 1586989651 LQZATFMUHCDWNG-YVEFUNNKSA-N 294.329 3.531 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC[C@@H](C)CC2)c1 1672776186 WLZWOFOZQZDZDK-DOMZBBRYSA-N 285.391 3.957 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@H](CC)CCCC)C1 1776154546 JZUBKCPQOPOFEF-NVXWUHKLSA-N 281.440 3.946 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1cc(C)ns1 1776783067 VCUSTHPXKPFBBC-CYBMUJFWSA-N 298.452 3.745 30 20 CHED CCSCC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 164592455 BRRZAVNVHKSOMJ-QWHCGFSZSA-N 262.422 3.741 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)CCCO)cc1 168307923 NCOFHAXNQBLQSS-ZIAGYGMSSA-N 297.826 3.630 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 156304698 HTQWKTOCBMCRDJ-JTQLQIEISA-N 286.297 3.642 30 20 CHED CCc1ncsc1C(=O)N(CCC#N)c1ccc(C)cc1 157965644 QETUHZXGULRRFY-UHFFFAOYSA-N 299.399 3.574 30 20 CHED Cc1nc(N(C)[C@@H]2CCC(C)(C)C2)c(Cl)cc1C#N 1651033095 QYWMJHVYYWJWPH-GFCCVEGCSA-N 277.799 3.930 30 20 CHED CCCC1CCN(C(=O)Nc2cccc(C#N)c2)CC1 1202785109 WUCVTYGREJETQW-UHFFFAOYSA-N 271.364 3.602 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(CCC)cc2)c1 920220415 QABQNWRYRLHGRV-UHFFFAOYSA-N 263.340 3.873 30 20 CHED COc1cc(Cl)c(C)cc1NC(=O)C1(C#N)CCCC1 20962341 GYUCSDQWCVOSLK-UHFFFAOYSA-N 292.766 3.680 30 20 CHED C[C@@H](Cc1cccs1)Nc1ccc([N+](=O)[O-])c(C#N)c1 127815862 LUYFVGYDDRJVQW-JTQLQIEISA-N 287.344 3.571 30 20 CHED Cc1nnc(Sc2nc3ccccc3s2)c(C#N)c1C 40217281 VIGRUZUIIDWBLD-UHFFFAOYSA-N 298.396 3.726 30 20 CHED N#Cc1cccc(OCc2ccc([N+](=O)[O-])cc2Cl)c1 49963893 PURWIYJWWPETGX-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)Cc1c(Cl)cccc1Cl 500794189 RVVMFPDBVXOSLH-JTQLQIEISA-N 299.201 3.544 30 20 CHED C=C(C)CNC1(c2cccc(Br)c2)CCC1 309673989 KYSSCDJCFLKAOX-UHFFFAOYSA-N 280.209 3.994 30 20 CHED N#CCc1cccc(NC(=O)c2csc(Cl)c2)c1 313437689 CRKCRFOHBPMZOG-UHFFFAOYSA-N 276.748 3.720 30 20 CHED N#Cc1cc(CN2CCCCCCCC2)ccc1F 322044004 HESYWOZKJLLWFS-UHFFFAOYSA-N 260.356 3.854 30 20 CHED C=CCC(C)(C)CNCc1ccc(-n2cccn2)cc1 336830861 HKAICCPIGPMDGV-UHFFFAOYSA-N 269.392 3.564 30 20 CHED C[C@@H]1CCCC[C@]1(C)NCc1ccc(CC#N)cc1 398962476 OAMLDMJIXXGSAK-PBHICJAKSA-N 256.393 3.811 30 20 CHED CCCCCCCCC(=O)NCc1cc(C)cc(N)c1 399095204 SKYBEMIZBOSUHB-UHFFFAOYSA-N 276.424 3.944 30 20 CHED C(=NNCc1ccccc1)c1ccccc1C1CC1 751134650 NNZPZALJBAMNPB-UHFFFAOYSA-N 250.345 3.688 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)cc1Cl 464128743 BZRIVAMPEZNBBN-GHMZBOCLSA-N 262.740 3.586 30 20 CHED COc1cccc(/C=C2/SC(SC)=CC2=O)c1 15444010 SORNKALACXYHMG-KPKJPENVSA-N 264.371 3.556 30 20 CHED C[C@H](NC1CC(C)(C)NC(C)(C)C1)c1cccc(C#N)c1 37232538 DEDJAVWFZUBESQ-ZDUSSCGKSA-N 285.435 3.518 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccccc1F 37493848 GJEDZEHLGFMPOI-CQSZACIVSA-N 283.346 3.689 30 20 CHED COc1ccc(Cl)cc1NC(=O)C1(C#N)CCCCC1 44385139 XLGIQUQGGUEJAE-UHFFFAOYSA-N 292.766 3.761 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(C)c1 45935010 WRFUVJXEXUVEOT-UHFFFAOYSA-N 265.356 3.823 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(F)c(F)c2)c1 56337288 HCSSDPYCTKQJIH-UHFFFAOYSA-N 289.281 3.782 30 20 CHED C=C(C)COc1cc(CNCC2CCC2)ccc1OC 57967928 LHUVRFVZWVEWLQ-UHFFFAOYSA-N 275.392 3.540 30 20 CHED CN(C(=O)c1ccc(Cl)s1)c1cccc(C#N)c1 59095645 WUODCOFCHXGILO-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CCCCCCCC(=O)NC1(C(=O)O)CCCCCC1 59211613 FCOVRDODGIJRJM-UHFFFAOYSA-N 283.412 3.641 30 20 CHED CCCCCCC[C@@H](C)N[C@@H](C)Cn1cccn1 59487430 KZGBKECRBMZAAZ-CABCVRRESA-N 251.418 3.610 30 20 CHED CCN(CC#N)Cc1sc2ccccc2c1Cl 68958230 PYSDRGORMZXWRO-UHFFFAOYSA-N 264.781 3.900 30 20 CHED C[C@H]1CC=CC[C@H]1COC(=O)C1(C#N)CCCCC1 72029735 FOJJLYJBVZKSRF-KBPBESRZSA-N 261.365 3.606 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C2CCCC2)cc1 72595601 URJBUKBVNAHINF-UHFFFAOYSA-N 286.375 3.522 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(CC#N)c1 75680278 JFWASEMRSHEZPS-SFHVURJKSA-N 292.382 3.504 30 20 CHED C=CC[C@H](C)NC(=O)C(C)(C)c1cccc(Cl)c1 76620235 SZTZJPMRPSLVOQ-NSHDSACASA-N 265.784 3.698 30 20 CHED CCCSCC(=O)Nc1sc2c(c1C#N)CCCC2 77551303 FPKLCLBOJBNVNU-UHFFFAOYSA-N 294.445 3.580 30 20 CHED CS[C@H]1CC[C@@H](Nc2ccc(Cl)cc2C#N)C1 78477233 HIEZKPOZGZLGLP-NEPJUHHUSA-N 266.797 3.908 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)C1(C#N)CCC1 80477761 ZBKVKYDKTNTIBY-UHFFFAOYSA-N 282.265 3.646 30 20 CHED CC(C)(CNc1nc2c(cc1C#N)CCC2)c1cccs1 83601564 CPBCSSDVUOKTDG-UHFFFAOYSA-N 297.427 3.893 30 20 CHED N#Cc1ccc(N[C@H]2CSc3ccccc32)cc1 83748563 OGGDVCTVPGIFQE-AWEZNQCLSA-N 252.342 3.817 30 20 CHED CCCCCC(C)(C)/C(O)=N/S(=O)(=O)C1CCCC1 86055183 DIHDPYZEEGTXIZ-UHFFFAOYSA-N 289.441 3.822 30 20 CHED N#CCC1(CNc2cccc(C(F)(F)F)c2)CC1 88249415 OSDFTZWRYOYYFZ-UHFFFAOYSA-N 254.255 3.811 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccccc1Oc1ccccc1 89527878 SFJOLUQXRZRUMA-CQSZACIVSA-N 294.354 3.901 30 20 CHED C=CCCc1csc(CC(=O)Nc2cccc(C)c2)n1 90065487 GFSMXYZPPINWFV-UHFFFAOYSA-N 286.400 3.751 30 20 CHED C=C[C@H](CC(=O)Nc1cc(CCC)nn1C)c1ccccc1 90151813 SBNQTVBGEMXDCI-CQSZACIVSA-N 297.402 3.671 30 20 CHED C#CCCCCN[C@H]1CC2(CCC2)Oc2ccccc21 90399415 DRKXXSKTTIFXTP-INIZCTEOSA-N 269.388 3.826 30 20 CHED CCCN(CC#N)Cc1ccc(Oc2cccnc2)c(C)c1 92398356 GLXSNQXJDFGRKH-UHFFFAOYSA-N 295.386 3.918 30 20 CHED Cc1cccc(C2=CCN(c3cccc(C#N)n3)CC2)c1 92696557 WNLRNCIVFJLEBS-UHFFFAOYSA-N 275.355 3.555 30 20 CHED CC[C@@H](C#N)Oc1cc(CNC[C@H](C)CC)ccc1OC 93075178 AAAKKAWXXFTSSP-HIFRSBDPSA-N 290.407 3.512 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cnc(Cl)s1 94195161 UNKCFSCUECFLLL-UHFFFAOYSA-N 278.764 3.864 30 20 CHED CN(CCC#N)CCCOc1ccc(C(C)(C)C)cc1 96969402 JNBJNAWCCBVETH-UHFFFAOYSA-N 274.408 3.598 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)CCCC(C)(C)C 103373136 ZOWMRHNZLWQLRF-UHFFFAOYSA-N 272.392 3.733 30 20 CHED Cc1cc(O)c(CN(CCC#N)CCC(C)C)cc1C 103460233 GREZSWWBBSZNTL-UHFFFAOYSA-N 274.408 3.771 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)C(F)(F)F 108998600 AGOZRBVAWJCCDX-MRVPVSSYSA-N 288.294 3.582 30 20 CHED C[C@@H](CSc1ccccc1)C(=O)Nc1ccccc1C#N 110162374 SXUWOBUOPSCZKQ-ZDUSSCGKSA-N 296.395 3.925 30 20 CHED C=CC1CCN([C@H](C)C(=O)Nc2ccc(C)cc2C)CC1 111257148 NZPSLBYSTQKCHG-OAHLLOKOSA-N 286.419 3.528 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccccc2Cl)C1 116810523 FLKSQBRNGRJNQX-ABAIWWIYSA-N 276.767 3.542 30 20 CHED N#CC1(C(=O)Nc2cc(-c3ccccc3)ns2)CCCC1 118617263 XKNPUGIVBVKYHV-UHFFFAOYSA-N 297.383 3.833 30 20 CHED C[C@H](c1ccco1)N(Cc1ccc(C#N)s1)C1CC1 119903579 NHWWZKFIGJWXGZ-LLVKDONJSA-N 272.373 3.938 30 20 CHED Cc1ccc(-c2ccc(/C=C/C(=O)c3cnn(C)c3)o2)cc1 121444035 LLSJJKJRDVCRRN-VQHVLOKHSA-N 292.338 3.885 30 20 CHED N#CCCCCSc1nnc(CCC2CCCC2)[nH]1 122274981 JUMKOCAXVPUCAK-UHFFFAOYSA-N 278.425 3.713 30 20 CHED CCCCCCCCC(=O)N(C)CC1(O)CCCC1 124379928 YTWIGWQIZONFLL-UHFFFAOYSA-N 269.429 3.501 30 20 CHED COc1ccc(CN[C@@H](C)CCc2ccccc2)cc1C#N 124932540 FCFFZTSJUZDOIX-HNNXBMFYSA-N 294.398 3.678 30 20 CHED C=C[C@@H](C)NC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 128431233 CBOGOCRHHBBDQX-SECBINFHSA-N 299.201 3.636 30 20 CHED C=CCCSc1nnc(-c2ccccc2)n1CC 128520778 YZBVQYPFOSHYKR-UHFFFAOYSA-N 259.378 3.633 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)C1(C#N)CCCCC1 130717829 UEIUAHFMJJSFBU-CYBMUJFWSA-N 264.413 3.791 30 20 CHED CC[C@@](C)(NCCC(C)(C)C#N)c1nc(C)cs1 131911545 NVAHYHWBRANLOH-CQSZACIVSA-N 265.426 3.606 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCCc2sccc21 136571112 RGQPNPZZAMHLOG-CYBMUJFWSA-N 276.405 3.509 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1 152350597 OEVVEIJPHQMGDB-CABCVRRESA-N 280.371 3.505 30 20 CHED N#Cc1cc(NCc2nccs2)ccc1C(F)(F)F 154044891 NATAZBUXVWWIGD-UHFFFAOYSA-N 283.278 3.646 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1CCC(F)(F)F 157576214 ALGKEZLZKNOUSH-UHFFFAOYSA-N 286.297 3.831 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCCCSC 172387879 RIWBJONJDCDMDQ-UHFFFAOYSA-N 295.423 3.874 30 20 CHED C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)C1CCCCC1 173399085 XMSLQJKJPCAOBN-CQSZACIVSA-N 299.418 3.668 30 20 CHED CCOC(=O)[C@@H](Sc1ccccc1C#N)c1ccccc1 173718848 BLGRKMMKLPYVLI-INIZCTEOSA-N 297.379 3.955 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1oc(C)cc1C 176239627 OVNBDEHEZVPUID-UHFFFAOYSA-N 283.371 3.767 30 20 CHED Cc1ccc(CCNCc2cc(C#N)cs2)c(C)c1 177691011 ZCRMKCQQTIWFCW-UHFFFAOYSA-N 270.401 3.569 30 20 CHED C#CCCCN[C@@H](C)c1ccc(N2CCCCC2)cc1 178052574 CULGSPQZVHAWNB-INIZCTEOSA-N 270.420 3.741 30 20 CHED CC(C)(C#N)c1ccccc1CSc1ncc[nH]1 178253939 FARQOMNDAGJITM-UHFFFAOYSA-N 257.362 3.503 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2cc(C#N)cs2)c1 178323121 YTOMYSXKLBIFGY-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCc1cccc(C#N)c1 178327425 VFLWMPZTCMLJHS-UHFFFAOYSA-N 291.354 3.829 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)c1ccccn1)c1ccccc1 179336829 NCJPNCZTBLHOSX-HUUCEWRRSA-N 280.371 3.619 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)C2(c3ccccc3)CCCC2)C1 179926670 YWWRSYZSQQXRRS-ZBFHGGJFSA-N 283.371 3.734 30 20 CHED C=CCC[C@@H](NCc1noc(CCC)n1)c1ccccc1 180040076 TUQXFGPIWDPYJI-OAHLLOKOSA-N 285.391 3.819 30 20 CHED C=CC1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1 180200026 ZQHFPCXLQRHPJU-UHFFFAOYSA-N 299.292 3.623 30 20 CHED N#Cc1ccc(CN(CCC(F)(F)F)CC2CC2)s1 180537673 NEYPOBVYUMYYLL-UHFFFAOYSA-N 288.338 3.784 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(OCc2nccn2C)cc1 180952220 NYLLPHHXUBJTCI-GJZGRUSLSA-N 299.418 3.614 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCc1cccs1 182598806 QFWUSLAAVASQNA-CYBMUJFWSA-N 265.422 3.932 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 182651348 CMQYQNSFIYVDLQ-LBPRGKRZSA-N 256.349 3.643 30 20 CHED C=CCC[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C1CC1 182820193 KXHJUJUTDZXDLJ-BXUZGUMPSA-N 286.375 3.563 30 20 CHED C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cccnc1 182885178 CPXGURIDOXLNLU-CQSZACIVSA-N 279.387 3.734 30 20 CHED C=CCCC(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 183322603 PFOHVDCXDHJEIP-UHFFFAOYSA-N 289.766 3.739 30 20 CHED CC#CCCCC(=O)NCc1cccc(OCC(C)C)c1 185263612 BHRTVLGTKPQXPY-UHFFFAOYSA-N 287.403 3.531 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(C(F)F)c1 185400942 DWTZCELPPZGMKQ-UHFFFAOYSA-N 251.276 3.612 30 20 CHED COCCOc1cc(C)ccc1N[C@@H]1CCC[C@@H](C#N)C1 185722518 XQCCMFINUZDYAC-HUUCEWRRSA-N 288.391 3.515 30 20 CHED CCN(CC)Cc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 185762081 QSJRXHHXYAJMOK-VQIMIIECSA-N 299.462 3.700 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 186044353 WZVFYEQGQXUTIG-UHFFFAOYSA-N 296.370 3.946 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2C[C@@H]2C2CC2)CC1 187284243 KCCKVWCADCOXRI-NWPKHEMWSA-N 288.435 3.647 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(OC)ccc1OCC 187902777 VXZCCQHTJCWLHV-MRXNPFEDSA-N 277.364 3.635 30 20 CHED CC[C@H](CC#N)OC(=O)c1cncc(-c2cccc(C)c2)c1 187921209 QJXINPMBVKVMPU-QGZVFWFLSA-N 294.354 3.906 30 20 CHED C=CCC[C@H](C(=O)N(C)C1CCC1)c1ccccc1 188279943 CKKNJPPPEXWLDM-INIZCTEOSA-N 257.377 3.747 30 20 CHED C=CCNC(=O)[C@H](C)SC/C=C/c1ccc(Cl)cc1 190104807 DZVLCTBWHASXOS-ITKZLYELSA-N 295.835 3.777 30 20 CHED CCCCCCCCn1ccnc1[C@@H](O)c1ccco1 190136344 ZRTPFQHTZLTKSG-HNNXBMFYSA-N 276.380 3.918 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(Br)o1 191325680 WDJNPVHJSRYOHW-UHFFFAOYSA-N 299.212 3.804 30 20 CHED C[C@@H](NCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 192915045 NGVUDQPZJUXJFT-CQSZACIVSA-N 289.382 3.933 30 20 CHED C=CCSCCNC(=O)N1CCC[C@H]1c1cccs1 194634091 ZNKGSOYBSBORMR-LBPRGKRZSA-N 296.461 3.514 30 20 CHED CCCN(CC#N)Cc1cc(Cl)ccc1OC(F)F 194968381 HGZFZANAAAZYPS-UHFFFAOYSA-N 288.725 3.677 30 20 CHED N#Cc1cccc(NC(=O)/C=C\Sc2ccccc2)c1 214053031 KTXPGQCBYMNIEJ-KTKRTIGZSA-N 280.352 3.803 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1c(F)cc(C#N)cc1F 226125620 RQYIBORLHAHVED-CHWSQXEVSA-N 282.359 3.923 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1cccc(C#N)c1 226189419 ZGYKVUDTLZKTLG-OAHLLOKOSA-N 258.365 3.647 30 20 CHED C=CCSCCNCc1ccc(Cl)c2cccnc12 230196107 BSYKBDXSZUTPMV-UHFFFAOYSA-N 292.835 3.897 30 20 CHED C=CCC[C@H](C)NCC1CCN(C(=O)OC(C)(C)C)CC1 230660263 DFNYILTUXANYMS-AWEZNQCLSA-N 296.455 3.578 30 20 CHED COc1cc(CN[C@@H]2CCC[C@H](C)CC2)ccc1C#N 234944150 JVHRMWJBORZPIS-XJKSGUPXSA-N 272.392 3.625 30 20 CHED Cc1ccc(C[C@H](C)NCc2cc(C#N)cs2)c(C)c1 237546146 UCABUNLRYLRAKF-AWEZNQCLSA-N 284.428 3.957 30 20 CHED C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[C@H]1C 245858740 DZHBFPVBXJUNOO-BFYDXBDKSA-N 299.418 3.719 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@@H](SCC)C1 249148715 ZSTQHINGFUSNJW-UMVBOHGHSA-N 269.454 3.769 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C#N)cs2)cc1[N+](=O)[O-] 255418984 GNFZCGFFJBKSGY-PLNGDYQASA-N 298.323 3.733 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(F)c(F)c1 255912471 PPCGOLGICPIZAE-KTAJNNJTSA-N 278.229 3.706 30 20 CHED CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(C#N)c1)C1CC1 264226027 WWFOLXWFFWJRNW-CHWSQXEVSA-N 270.376 3.597 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc2ccccc2[nH]1 264253038 LDEPDAVCRZZEDP-UHFFFAOYSA-N 283.375 3.570 30 20 CHED C#CCN(CC)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 267374437 YSQAXYZKNXJMQY-UHFFFAOYSA-N 299.374 3.612 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cc(F)cc(F)c2)no1 273672340 HFJMOPPDPUTQMQ-SECBINFHSA-N 280.274 3.669 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(F)cc1F 275981168 DUXRWMITYGSXNP-HNNXBMFYSA-N 267.319 3.526 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1nc(C(F)(F)F)cs1 277049627 GSZABBRHPUIOGI-NSHDSACASA-N 293.310 3.807 30 20 CHED CC(C)CN(Cc1ccccc1F)C(=O)CC(C)(C)C#N 278532949 LRFDITQHBXYIGF-UHFFFAOYSA-N 290.382 3.750 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1c1ccccc1Cl 279343395 UXNRXOSTIJXROD-AWEZNQCLSA-N 290.794 3.943 30 20 CHED C[C@H](N(C)C(=O)c1ccc(C(C)(C)C#N)cc1)C1(C)CC1 279848388 JUWZOOWSIHJUNK-ZDUSSCGKSA-N 284.403 3.748 30 20 CHED CC(C)n1ccc(NCc2ccc(Cl)cc2C#N)n1 279992389 GVBKERQTAIUNJN-UHFFFAOYSA-N 274.755 3.601 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC(C)=C(C)C2)c1 280447133 DLEYZLNVALIFFY-UHFFFAOYSA-N 286.375 3.825 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(OCC)cc1 280715130 DYMZVABWQWMRNW-KYJSFNMBSA-N 289.419 3.717 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1CCC(F)(F)C1)c1ccccc1 280746586 PORNZDBQRYPYCM-KGLIPLIRSA-N 293.357 3.898 30 20 CHED CC[C@]1(CN[C@@H]2CCC[C@@H](C#N)C2)OCCc2ccccc21 289926978 VGRNQFRGYIVAKE-SZVBFZGTSA-N 298.430 3.537 30 20 CHED C#CC[C@@H](NCCCc1cnccc1C)c1ccccc1 290558091 ZLFKNVACTBPABT-LJQANCHMSA-N 278.399 3.677 30 20 CHED N#CCCN(CCC#N)C(=O)c1ccc(C2=CCCC2)cc1 290607333 BDTUAXWKXLIOTH-UHFFFAOYSA-N 293.370 3.523 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cnn(CC(F)F)c2)c1 292246479 CXZGUEFVBMWQFS-ONEGZZNKSA-N 290.313 3.661 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(Cl)cc1C 292863474 SEEPGJQJTKVRQY-UHFFFAOYSA-N 277.755 3.582 30 20 CHED CCOCc1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 294362875 AYJIZGYMYQTZAG-GOSISDBHSA-N 298.386 3.636 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1ccc2ccccc2c1O 295105335 HPMZGIRTYUZAMP-MRXNPFEDSA-N 297.398 3.949 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1nc2ccccc2o1 296746988 DOQDHJHZIVYCOG-SNVBAGLBSA-N 259.305 3.644 30 20 CHED CC(=O)Nc1cccc(CNc2c(Cl)cccc2C#N)c1 301347659 HVKQWBXRKJRLHB-UHFFFAOYSA-N 299.761 3.782 30 20 CHED Cc1ccc(OCCCCNc2ccc(C#N)nc2)cc1 301527224 QEJQHTPYBLVTJS-UHFFFAOYSA-N 281.359 3.533 30 20 CHED C[C@@H](CNc1ncccc1C#N)c1nc2ccccc2s1 301709362 HGQMKORUPDQWAI-NSHDSACASA-N 294.383 3.779 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@@H]1Nc1ccc(C#N)nn1 302187048 VUUVYBPOHWNDGT-CRAIPNDOSA-N 292.386 3.720 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CC[C@H](C)CC2)c1 303354792 FXDZKMGCVWTSEK-HDJSIYSDSA-N 288.391 3.952 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)CC2 316819739 JKHJAJBAJAYCDU-QGZVFWFLSA-N 293.326 3.874 30 20 CHED C[C@@H]1C[C@@H](C)[C@@H](C(O)=Nc2ncc(-c3ccccc3)cn2)O1 328643728 AJSKFIUQCJJQSX-JMSVASOKSA-N 297.358 3.545 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C(/O)C[C@H]1CCCC(O)=N1 329354344 YLXAXHGBGKRQTR-UPJWGTAASA-N 266.385 3.811 30 20 CHED OC1=N[C@@H](C/C(O)=N/C2CCC3(CC2)CC3)CCC1 329656351 MRDKPRYBKOWXHH-GFCCVEGCSA-N 264.369 3.565 30 20 CHED C[C@H]1CC[C@H](C(O)=Nc2nc3ccsc3s2)O1 330081537 JZYZQRIKNLKAQV-POYBYMJQSA-N 268.363 3.513 30 20 CHED CC[C@@H](C)n1[nH]c(=N/C(O)=N/C2(C)CCCCC2)cc1C 330698730 WQAAVFPQPIMFRO-GFCCVEGCSA-N 292.427 3.633 30 20 CHED C[C@@H]1CCCC[C@@H]1N/C(O)=N/Cc1ncc(C(C)(C)C)o1 330725569 DZKSYCKABKAGLP-NEPJUHHUSA-N 293.411 3.554 30 20 CHED COc1cc(C)cc(N/C(O)=N/C[C@@H]2CC=CCC2)c1C 331147331 NUAOKKLALHWYOG-CQSZACIVSA-N 288.391 3.994 30 20 CHED CC(C)(C)C1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 332418512 DJQWVKWOQARFTB-UHFFFAOYSA-N 291.782 3.721 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 333081607 MDLLWXRSDHUMBJ-RKVPGOIHSA-N 288.435 3.793 30 20 CHED N#CC1(CSc2ncnc3sc4c(c23)CCC4)CC1 334202616 PYGMKSGQTZHBJP-UHFFFAOYSA-N 287.413 3.576 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccccc2N2CCCCC2)C1 334553855 ATCGBICZGIJUMJ-LSDHHAIUSA-N 269.392 3.781 30 20 CHED CC(C)(C#N)CNC(=O)Nc1cccc2ccsc12 334938685 XDZSGHQUQWSGRX-UHFFFAOYSA-N 273.361 3.573 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N2CCC(CC#N)CC2)CC1 335899382 GKZIRJXSTCJWRY-WKILWMFISA-N 276.424 3.601 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCc2ccccc21 337888531 FRAOJEKBLKRRQH-GOSISDBHSA-N 290.366 3.626 30 20 CHED CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(C#N)cc1 338181330 SQBLULNOMJPIRD-UHFFFAOYSA-N 296.345 3.748 30 20 CHED COc1ccc(C#N)cc1CSCCC(C)(C)C#N 342027602 WMCBFYGSWSKVPJ-UHFFFAOYSA-N 274.389 3.740 30 20 CHED CCN(CCC#N)Cc1c(Cl)cccc1N1CCCC1 342674852 BFHUUKWSXWVRHA-UHFFFAOYSA-N 291.826 3.676 30 20 CHED Cc1sc(CNCc2cc(C#N)cs2)nc1C(C)C 344190073 ZWIGITQJNSIASP-UHFFFAOYSA-N 291.445 3.798 30 20 CHED N#CC1(CSCc2csc(-c3ccoc3)n2)CC1 344485818 QOSYNOMMHDWTBM-UHFFFAOYSA-N 276.386 3.940 30 20 CHED C=CC[C@H]1N(C(=O)c2ccccc2)CCCC1(C)C 347423031 FXVPBOFBOBOZKP-OAHLLOKOSA-N 257.377 3.894 30 20 CHED C=CC[C@@H]1N(C(=O)c2coc(C)c2)CCCC1(C)C 347465166 JVIPEERAIQIZDJ-AWEZNQCLSA-N 261.365 3.795 30 20 CHED Cc1nc(CCSc2ccccc2C#N)cs1 347731650 CMHOCRNTGXUEOM-UHFFFAOYSA-N 260.387 3.658 30 20 CHED C=C(C)CN(CC[C@@H]1CCCO1)Cc1ccccc1 348237732 XDDKIPCGJAGQJO-KRWDZBQOSA-N 259.393 3.634 30 20 CHED CC(C)(C#N)CC(=O)N[C@H](CC(F)(F)F)c1ccccc1 351869125 QYVASICHEHMYME-GFCCVEGCSA-N 298.308 3.736 30 20 CHED N#Cc1ccc(SCc2cc(-c3cccs3)on2)nc1 352933611 FCEXOEMQHQQZMN-UHFFFAOYSA-N 299.380 3.962 30 20 CHED CC[C@@H](C)CN(C)C(=O)c1ccc(C(C)(C)C#N)cc1 355987830 NLIBYRIIMSPHHN-CYBMUJFWSA-N 272.392 3.606 30 20 CHED C[C@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1(C)C 356787479 CQOCNGYZKONLOI-DOTOQJQBSA-N 298.430 3.969 30 20 CHED C[C@H](C[S@](=O)Cc1ccc(C#N)cc1)c1ccccc1 359412315 NTAAGGSEEBCLSD-VLIAUNLRSA-N 283.396 3.611 30 20 CHED C=C[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1C#N 362857410 WKXILPUOAMAART-LLVKDONJSA-N 281.281 3.517 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](OCC2CC2)C1 364779459 OBXYEWZAVMUQTQ-KSSFIOAISA-N 284.403 3.510 30 20 CHED C=CCCCCCCN[C@H]1CCO[C@H](C(C)C)C1 380814063 UTALJHYCZABBPH-HOTGVXAUSA-N 253.430 3.916 30 20 CHED CC(C)CCN(Cc1ccc(CC#N)cc1)C1CC1 399010914 XNOLBTNUVDFHMS-UHFFFAOYSA-N 256.393 3.763 30 20 CHED C=CCC[C@@H](NC(=O)N1CC[C@H](C)C1)c1ccccc1 409503691 RZXANCKLXNSSDP-GOEBONIOSA-N 272.392 3.745 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 410133614 ZLBGJIKJWXWJMK-RRFJBIMHSA-N 277.795 3.914 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 410134459 IJPIFVLQMPDSRT-ZYHUDNBSSA-N 299.773 3.717 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1CCCC1(C#N)CCOCC1 410413481 LECGYZVPVSPTKH-IAGOWNOFSA-N 292.467 3.988 30 20 CHED CC(C)c1nnc(SCCC2(C#N)CCCCC2)n1C 412995708 RJCBWUHIWHLOKT-UHFFFAOYSA-N 292.452 3.895 30 20 CHED N#CC1(CSCc2cc(F)ccc2F)CCC1 419391163 MTXBFBFFIJDUQP-UHFFFAOYSA-N 253.317 3.892 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@]12CCC[C@H]1C2 421438550 QYDDJWABZOPTDH-PKOBYXMFSA-N 296.414 3.733 30 20 CHED C=CC[C@@H]1N(C(=O)[C@]23CCC[C@H]2C3)CCCC1(C)C 421540557 AGLWOALAZGBBRY-ZQIUZPCESA-N 261.409 3.770 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425136366 WTDYMEGFALMYHR-CQSZACIVSA-N 282.387 3.846 30 20 CHED COCc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 425365564 LTFQQYYRSCYQMF-HNNXBMFYSA-N 294.398 3.898 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(C(=O)NCCCCC#N)C1 425444684 MZIRJNVLOUNXMU-MRXNPFEDSA-N 299.418 3.863 30 20 CHED C=CCC1(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CCC1 425641973 XICIEYYZWQHEPB-CQSZACIVSA-N 282.387 3.824 30 20 CHED C=CCC(C)(C)c1nc(-c2ccccc2OCC)no1 426423646 BICXVKMJEWLRHF-UHFFFAOYSA-N 272.348 3.989 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](C)C(F)(F)C1)c1ccccc1 427667557 CRPWURSTANJEGL-UONOGXRCSA-N 293.357 3.850 30 20 CHED C=CCN(C)Cc1ccccc1OCc1ccccc1 428369480 IVEJENICXZELOY-UHFFFAOYSA-N 267.372 3.883 30 20 CHED CC(C)c1nc([C@@H](C)NCC2(CC#N)CC2)cs1 430746169 BPGVZZSELQPFEV-LLVKDONJSA-N 263.410 3.611 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2nc(C)sc2c1 431475588 XVHDBSLBRHKFKH-UHFFFAOYSA-N 274.389 3.643 30 20 CHED CN(CC(C)(C)C#N)c1nc(-c2ccc(F)cc2)cs1 432140990 CIAPRYDUJFMODW-UHFFFAOYSA-N 289.379 3.935 30 20 CHED Cc1c(F)cccc1NCC#Cc1ccc(F)cc1 433492851 WKUNAYIZAZYPHQ-UHFFFAOYSA-N 257.283 3.737 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 434029979 FIFVEPRUBPRQQR-ILXRZTDVSA-N 276.424 3.744 30 20 CHED C[C@@H](Sc1ccccc1C#N)C(=O)N(C)c1ccccc1 439696136 MQGGCXYWTDPYFW-CYBMUJFWSA-N 296.395 3.702 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2c(F)ccc(F)c2C1 442683609 WDEAGGPSMVMJTO-GFCCVEGCSA-N 298.336 3.956 30 20 CHED N#Cc1cccc(N[C@@H]2Cc3[nH]c4ccccc4c3C2)c1 442803749 XKGDDHDQONVSLO-AWEZNQCLSA-N 273.339 3.619 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H]2CC=CCC2)CCCC1(C)C 445141156 UDKCRJOJPPJCAJ-GJZGRUSLSA-N 276.424 3.871 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C(F)(F)F)cc1C 448564043 FLVHOARHVRCSTQ-UHFFFAOYSA-N 283.293 3.828 30 20 CHED C=CCOc1ccc(CC(=O)NC2(C)CCCCC2)cc1 448769679 IGLLIKQUAZPJJS-UHFFFAOYSA-N 287.403 3.633 30 20 CHED C=CC(C)(C)CNCc1cccc(OC(F)F)c1 449486886 VNUKAVKLQHPZGP-UHFFFAOYSA-N 255.308 3.590 30 20 CHED CC(C)O[C@@H]1C[C@@H](NCCCCC(C)(C)C#N)C1(C)C 451505502 SUGQPKYZNUVVSC-HUUCEWRRSA-N 280.456 3.888 30 20 CHED C=CCCNc1cccc(S(=O)(=O)C2CCCCC2)c1 453113584 FPBNTCOMUJFUGK-UHFFFAOYSA-N 293.432 3.781 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cccc(Cl)c1 453356655 MBQCTYOZLYLANS-KFWWJZLASA-N 265.784 3.724 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1OC(F)F 453374906 XDAINTHZDNBZQU-YUTCNCBUSA-N 297.345 3.672 30 20 CHED C=CC(C)(C)CNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 455383581 KVPLIEXRIJAWLC-GDBMZVCRSA-N 286.419 3.991 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 456284920 UNVMQZOIVDGZCL-SFHVURJKSA-N 298.430 3.942 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 456760568 XEWJQWMQOFIGPP-HIFRSBDPSA-N 256.349 3.517 30 20 CHED C=CCCCC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 456919873 IHKWCOYTPCXMNY-WKILWMFISA-N 287.403 3.756 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)[C@@H]1CCC[C@@H](C)C1 457002053 MNSXANIMDJADIS-QLFBSQMISA-N 276.424 3.791 30 20 CHED COc1ccc2c(c1)CCC[C@H]2NCC(C)(C)CC#N 459736244 UHLZGEASBOXFIR-MRXNPFEDSA-N 272.392 3.602 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](CC)C1CCC(C)CC1 461103462 YVMWUAPZNVSPEP-NRXISQOPSA-N 251.414 3.873 30 20 CHED Cc1nc(N[C@H]2[C@@H]3c4ccccc4C[C@H]32)c(Cl)cc1C#N 461951520 YATGTNYTVMCXIM-FVQBIDKESA-N 295.773 3.665 30 20 CHED CC#CCCN1C[C@H](c2ccccc2Cl)OC[C@H]1C 462323279 HLGSDTOWDFOKPW-CZUORRHYSA-N 277.795 3.515 30 20 CHED CCSc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 464155880 FUEOSMHTBGNPTB-MRXNPFEDSA-N 290.432 3.857 30 20 CHED FC(F)(F)c1ccc(C#CCN2C[C@H]3CCC[C@H]3C2)cc1 464887502 NHRYWWOPIRARRB-GASCZTMLSA-N 293.332 3.789 30 20 CHED C=C[C@@H](C)NC(=O)CCc1ccc(-c2ccccc2)o1 465106763 HBVNQEXRBPNEFT-CYBMUJFWSA-N 269.344 3.570 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccccc1OCC(C)C 468111542 VJVQTMAQPLUDCF-GOSISDBHSA-N 289.419 3.940 30 20 CHED CCC1CCC(N(C(=O)CC(C)(C)C#N)C2CC2)CC1 469571579 XNZKLQZHQOTSGC-UHFFFAOYSA-N 276.424 3.886 30 20 CHED CC(C)(C)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 472139002 VEZWNOPZYKNURJ-HOCLYGCPSA-N 256.393 3.766 30 20 CHED C=C[C@@H](C)NC(=O)c1cnn(-c2ccccc2C)c1C(C)C 477780495 WODVYBRDSGUELZ-CQSZACIVSA-N 297.402 3.608 30 20 CHED C=CCCCCCN(C)c1nccc(C(F)F)n1 480024273 VJHPKBHWKHTYSR-UHFFFAOYSA-N 255.312 3.597 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@H]2CCC[C@H]21 480550947 GLIQUDFZKSYSSI-MLGOLLRUSA-N 274.795 3.976 30 20 CHED C=CCc1cc(CN2CCCC[C@@H](C)C2)cc(OC)c1O 482291180 CMINTDWQACBOLU-CQSZACIVSA-N 289.419 3.751 30 20 CHED N#Cc1ccc(N2CCC[C@H]2CCCc2ccccc2)cn1 486929106 UTISVCHLCIZPBC-GOSISDBHSA-N 291.398 3.945 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)Cc1cccc(F)c1 488877244 HZMDPDBYFDJRDY-YOEHRIQHSA-N 289.394 3.962 30 20 CHED C=CCN(C)C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 488894387 CBRJBKHTRSBSTG-KBPBESRZSA-N 257.377 3.620 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C)c1ccccc1 489014338 PFXRRZWAKRNLMN-INMHGKMJSA-N 271.404 3.993 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 489302433 UMRUOKRTEOXPNB-CYBMUJFWSA-N 276.405 3.805 30 20 CHED C=C[C@H]1CCCCN1CC(=O)Nc1c(C)cccc1Cl 489502253 YGMWZKGKZLBBNO-ZDUSSCGKSA-N 292.810 3.627 30 20 CHED C#C[C@@H](CC)NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 491754963 WVNONAWUYQONIJ-OCCSQVGLSA-N 284.359 3.547 30 20 CHED C[C@H]1CCCC[C@H]1OCCNc1c(F)cc(C#N)cc1F 500519989 CEUXFLNWIGSIAF-XHDPSFHLSA-N 294.345 3.844 30 20 CHED COc1cc(C#N)ccc1CN1CC=C(C(C)(C)C)CC1 501303782 NFAOYPPPTMDGDV-UHFFFAOYSA-N 284.403 3.745 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)NC1(C#N)CCCCC1 503313934 ROJHIGOQTMDTSO-AWEZNQCLSA-N 276.424 3.936 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1ccc(Cl)cc1 506055180 BMJBXVWOWRRSTN-NWDGAFQWSA-N 250.773 3.883 30 20 CHED Cc1ccc([C@H]2OCCC[C@@H]2Nc2ccc(C#N)nc2)cc1 509547623 AIHSAKJKWICHIO-ZWKOTPCHSA-N 293.370 3.594 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc(C#N)c1C 512832762 IWKXQOKNFGRVKV-DYVFJYSZSA-N 284.403 3.908 30 20 CHED Cc1ccc(CNCC(C)(C)CC#N)c(Cl)c1 515854410 UESLOXAXJYDFGE-UHFFFAOYSA-N 250.773 3.678 30 20 CHED C=CCSCC(=O)N(CCC(C)C)CCC(C)C 524459918 HVPMTMOQJFBNKG-UHFFFAOYSA-N 271.470 3.826 30 20 CHED N#Cc1ccc(N2CCCC[C@H]2Cc2ccc(F)cc2)nc1 531393198 XLRPYTRCQQRKBH-KRWDZBQOSA-N 295.361 3.694 30 20 CHED N#Cc1ccn(CCOc2cc(Cl)cc(Cl)c2)c1 534390033 QPRNPDTUSVSVCY-UHFFFAOYSA-N 281.142 3.746 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1cc2cc(Cl)ccc2o1 538407210 PAJCCHQKXSUUOH-RYUDHWBXSA-N 293.794 3.921 30 20 CHED N#CCC1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 542881944 WOVKRDCRXBWNKU-UHFFFAOYSA-N 299.349 3.606 30 20 CHED C[C@H](NCc1cccc(C#N)c1F)[C@@H](C)c1ccccc1 543475590 YEQJDDUOBQJMOH-KGLIPLIRSA-N 282.362 3.979 30 20 CHED C[C@H](NC(=O)N1CC[C@@H](C)C(C)(C)C1)c1ccc(C#N)cc1 546109960 VOPZOMVMJVHENT-KGLIPLIRSA-N 299.418 3.697 30 20 CHED CC(C)(C)[C@@H](NCC#Cc1ccc(F)cc1)C(F)(F)F 546629076 OIXLZBGMRIHXOT-CYBMUJFWSA-N 287.300 3.744 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C)n(C(C)(C)C)n2)n1 551144243 QCLWTYRINNYPEE-UHFFFAOYSA-N 288.395 3.850 30 20 CHED C=Cc1ccc(C(=O)NC(C#N)(CCC)CCC)cc1 551301743 AERYEDVAZCKUTP-UHFFFAOYSA-N 270.376 3.922 30 20 CHED CCN(CCOc1ccccc1C)Cc1cccc(C#N)c1 554221449 NWGAMXRMWQHFBG-UHFFFAOYSA-N 294.398 3.768 30 20 CHED CCCCN1CCc2ccc(NC(=O)[C@@](C)(C#N)CC)cc21 556927642 JHZXVLBQAOHPBY-GOSISDBHSA-N 299.418 3.728 30 20 CHED CC[C@H](CNc1cc(C)nc(C#N)c1)Oc1ccccc1F 557630593 NSGYGGJFLMPVRO-OAHLLOKOSA-N 299.349 3.670 30 20 CHED CC(C)C(C)(C)CNC(=O)Nc1ccc(C#N)c(F)c1 564429471 WCVIOPVKCPTMFZ-UHFFFAOYSA-N 277.343 3.501 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)s1)CCC2 566332752 RFKNPUWIRNCZKL-HNNXBMFYSA-N 296.395 3.736 30 20 CHED CCCC[C@@H](NC[C@H](C#N)CCC#N)c1ccc(OC)cc1 568975428 GKODQTJFUIMRQK-MAUKXSAKSA-N 299.418 3.960 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 573753331 XGRWXPZMXUPWRA-GUTXKFCHSA-N 288.391 3.653 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C[C@@H]1CC[C@H]2C[C@H]12 573807792 OYGYCGXFIXSRCW-MJVIPROJSA-N 288.778 3.781 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1ccc(F)cc1 573819574 DMCBQHPZCCZRQU-UHFFFAOYSA-N 277.383 3.822 30 20 CHED C=CCCC1(c2nc(Cc3cccs3)no2)CC1 576905067 BCKSVRBUVZMDQZ-UHFFFAOYSA-N 260.362 3.720 30 20 CHED Cc1cc(F)ccc1CCN[C@H]1CCc2ccc(C#N)cc21 577250057 LYLMUSWIYXUJIN-IBGZPJMESA-N 294.373 3.825 30 20 CHED C=CCC[C@@H](C)NC[C@@]1(CC)OCCc2ccccc21 580863834 XXBQHSVODPSOLZ-CRAIPNDOSA-N 273.420 3.809 30 20 CHED C=CCN(C(=O)CCSc1cccc(Cl)c1)C1CC1 582264526 OIHOLUQDZVOSAT-UHFFFAOYSA-N 295.835 3.999 30 20 CHED Cc1cc(Nc2ccc([C@H]3CCOC3)cc2)c(C#N)cn1 584406853 RKEFLMYEGPUBFV-AWEZNQCLSA-N 279.343 3.509 30 20 CHED Cc1oc(C)c(C(=O)N[C@@H](CCC#N)c2ccccc2)c1C 585701180 LOOFMQPBIGWKLZ-INIZCTEOSA-N 296.370 3.980 30 20 CHED CC1(C)CCC(CNC(=O)CCCCCC#N)CC1 588162418 JLGPEWGPCLDDDV-UHFFFAOYSA-N 264.413 3.793 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H]1c1cccs1 588266556 BUFFKEOCQOCNEH-ZDUSSCGKSA-N 276.405 3.886 30 20 CHED COc1ccsc1C(=O)/C=C\c1cccnc1Cl 588489079 RLEPWROZZKRVTF-PLNGDYQASA-N 279.748 3.701 30 20 CHED CC(C)[C@@H]1CN(C(=O)CCCCCC#N)c2ccccc2N1 588622405 QHNKGHYODFDTAT-INIZCTEOSA-N 299.418 3.944 30 20 CHED Cc1cncc(CCS[C@@H](C)c2cccc(C#N)c2)n1 593193633 ZAJGVQDSHCMZMS-ZDUSSCGKSA-N 283.400 3.694 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)[C@H](CC)c1ccccc1 593427516 MXRTYLUWIZKYSK-DZGCQCFKSA-N 258.365 3.536 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3)cc1 593950803 ADNIDSWHJCHWPN-UHFFFAOYSA-N 288.350 3.989 30 20 CHED N#CC[C@H]1CCCN(CC[C@H]2CCc3ccccc32)C1 595616908 PHSCBNOSMMUMPV-NVXWUHKLSA-N 268.404 3.732 30 20 CHED CC(C)=CCCn1nc(C(C)(C)C)c(CCC#N)c1O 596259892 CWSOPDARUXRJDN-UHFFFAOYSA-N 275.396 3.699 30 20 CHED Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](CC#N)C3)cc2c1C 597908899 DVEXRZGPPPSIFG-AWEZNQCLSA-N 295.386 3.551 30 20 CHED CC(C)C[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597909552 NEZKZYYDBZRDTD-AEFFLSMTSA-N 298.430 3.969 30 20 CHED COc1ccc(NC(=O)N(C)[C@@H](C)CC#N)c2ccccc12 599887803 MAZCMEAARUHRAI-LBPRGKRZSA-N 297.358 3.614 30 20 CHED CC(C)N(C)c1ccc(-c2cccc(F)c2C#N)cn1 600788901 BGSKUJWZOGRBEH-UHFFFAOYSA-N 269.323 3.604 30 20 CHED N#C[C@@H](Sc1nc(-c2ccccc2)co1)C1CC1 601081181 LMCVPPXAQGCNHS-CYBMUJFWSA-N 256.330 3.736 30 20 CHED C[C@H](CCC#N)CN(Cc1ccccc1)C1CCN(C)CC1 602669408 WKJAKTFOGBMDRF-QGZVFWFLSA-N 299.462 3.523 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)[C@H](C)CC 606921212 ZBJDTXFNWALKJT-ZIAGYGMSSA-N 254.418 3.809 30 20 CHED C=CCOc1ccccc1CNc1ccc([N+](=O)[O-])s1 609513237 UOCBXXDHNYWBDD-UHFFFAOYSA-N 290.344 3.833 30 20 CHED CCC[C@@](C)(O)CNc1ccc(C#N)cc1C(F)(F)F 609963741 KVADHWRKFWPMCS-CYBMUJFWSA-N 286.297 3.540 30 20 CHED Cc1cccc2c(N3CCC(C)(C)C3)c(C#N)cnc12 610282691 TYFHJEPIBRQLEO-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 614989573 NBKPLUOCOWYTPU-DZKIICNBSA-N 284.403 3.952 30 20 CHED CC(C)(C#N)CN[C@@H]1CC[C@](C)(c2ccccc2)C1 615136336 JFGCXRWMNSWJSA-WBVHZDCISA-N 256.393 3.636 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N=c1cc[nH]c2ccsc12 618694040 WTYACCPKWFLZBI-AWEZNQCLSA-N 291.379 3.689 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 619438120 PTEVOXVPGUEOSK-UNEWFSDZSA-N 284.403 3.952 30 20 CHED C[C@@H](Nc1ccnc2c(O)cccc12)c1ccc(C#N)cc1 619475996 QANJHYUBTUHROB-GFCCVEGCSA-N 289.338 3.985 30 20 CHED C=C[C@@H](C)NC(=O)CCc1c(Cl)cccc1Cl 653691402 FCFAZQYDTLJRGT-SECBINFHSA-N 272.175 3.617 30 20 CHED C=CCC1(CNCc2nccn2C(C)C)CCCC1 657485686 LQRZYTZZVXGXDS-UHFFFAOYSA-N 261.413 3.690 30 20 CHED C=CCC1(NCc2ccc(Cl)cc2C)CCOCC1 657633799 XHKAAILWUOWURX-UHFFFAOYSA-N 279.811 3.863 30 20 CHED C=CCCC(C)(C)NCc1cc(OC)c(OC)cc1C 657805971 ZTADAOIISLMXIF-UHFFFAOYSA-N 277.408 3.847 30 20 CHED C[C@H]1CC(=O)c2c(OCC3(CC#N)CC3)ccc(F)c21 663939463 NGBTWGKMIDCCDC-JTQLQIEISA-N 273.307 3.588 30 20 CHED C=CCCNC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 665945646 MARARFSKUUALBH-MRXNPFEDSA-N 272.392 3.808 30 20 CHED CC#CCCNC(=O)Nc1cc(SC)ccc1Cl 667466760 HPPSECPNSWJEMY-UHFFFAOYSA-N 282.796 3.597 30 20 CHED C=C1CCN(C(=O)[C@]2(c3ccccc3)CC2(C)C)CC1 668303290 CNARUWCKKLOYJC-GOSISDBHSA-N 269.388 3.533 30 20 CHED C=CCOCCCC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 679534878 QFQVISHISNLHLO-MENFKHAKSA-N 299.414 3.674 30 20 CHED C=CCCCCNC(=O)c1cc2cccc(F)c2o1 681145009 HYCFNFNHJBUNFF-UHFFFAOYSA-N 261.296 3.658 30 20 CHED C=C(CNC1CCC2(CCCO2)CC1)c1ccccc1 682642041 MOHBYQDAJCACPI-UHFFFAOYSA-N 271.404 3.781 30 20 CHED C=C(Br)COC(=O)c1ccc(C(F)F)cc1 726664219 QIRUYYFZYAONKR-UHFFFAOYSA-N 291.091 3.690 30 20 CHED C=CCOC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 727039836 OABCIUCHWMWOKH-JTQLQIEISA-N 272.266 3.928 30 20 CHED O=[N+]([O-])c1cccc(-c2ccc(C=NNC3CCCC3)o2)c1 727652485 PJFVKJTVVQRJQS-UHFFFAOYSA-N 299.330 3.721 30 20 CHED C#CCCOC(=O)/C=C/c1cccc(OC2CCCC2)c1 727955374 UCWWPMSKZIAANV-VAWYXSNFSA-N 284.355 3.588 30 20 CHED CCCCCCCCC(=O)OCc1cscn1 728327935 OTZKMCFDBKIPKR-UHFFFAOYSA-N 255.383 3.937 30 20 CHED N#C[C@H](NC(=O)/C=C\c1ccccc1)c1ccc(Cl)cc1 730092426 IEZSJPLWCKTRRH-BCTQVIJGSA-N 296.757 3.734 30 20 CHED Oc1cccc(/C=N/CCCc2c[nH]c3ccccc23)c1O 730732919 REOXRBYZTNCMBX-YBFXNURJSA-N 294.354 3.631 30 20 CHED Cc1ccsc1/C=C1/COc2ccc(F)cc2C1=O 731565139 GGWDMQBTJZXWDL-POHAHGRESA-N 274.316 3.854 30 20 CHED CCO[C@@H]1CC(=NNc2c(F)cccc2F)C1(C)C 736430850 KHHVTEYFFWEIMC-GFCCVEGCSA-N 268.307 3.568 30 20 CHED N#CCOc1ccc(CSCc2ccco2)cc1 739432305 RGLTVZDOKVCYLE-UHFFFAOYSA-N 259.330 3.615 30 20 CHED CCC(=NNc1nc(-c2ccc(Cl)cc2)no1)C1CC1 741164472 MTFWYDKZVKQMBD-UHFFFAOYSA-N 290.754 3.978 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)C2CCCCC2)c1 741466142 FWICUIFQDMJTNO-ZSAINHDTSA-N 261.365 3.789 30 20 CHED CCN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H](C)C(C)C 744146826 WHQPHAHFGXEOCD-OAHLLOKOSA-N 296.418 3.746 30 20 CHED Cc1ccc2c(CC(=O)OCC3(CC#N)CC3)coc2c1 744278369 BNIUVRMWDYVWAU-UHFFFAOYSA-N 283.327 3.521 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Oc1ccccc1Cl 744304771 CMMSVYNQYOLKNK-NSHDSACASA-N 268.740 3.617 30 20 CHED CCCCCCCOC(=O)Cc1cccc([N+](=O)[O-])c1 745333494 MLUAMMKBTKWEAW-UHFFFAOYSA-N 279.336 3.651 30 20 CHED CCc1ccc(C=NNc2ccc([N+](=O)[O-])cc2OC)cc1 746680142 QFOSGDGIGQLNBI-UHFFFAOYSA-N 299.330 3.612 30 20 CHED C=C(Cl)COC(=O)c1cc(-c2ccccc2)ns1 747106692 FDEFNUAOWUITRK-UHFFFAOYSA-N 279.748 3.719 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(C)ccc1F)C2 747439977 HIRUZDUVDOQOCC-ZROIWOOFSA-N 282.314 3.965 30 20 CHED C=CCCCC(=O)Oc1cccc(Br)c1 748515868 WJKFEYCETWVYPD-UHFFFAOYSA-N 269.138 3.711 30 20 CHED Cc1c(C(=O)N(CCC#N)CC(C)C)cnc2ccccc12 748704770 XWNBWNFIVLQALD-UHFFFAOYSA-N 295.386 3.555 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)Cc2ccc(F)cc21 749005228 JAZZHHWNXKUUTA-JXMROGBWSA-N 274.241 3.926 30 20 CHED C=CCN(C(=O)Nc1cccc(N2CCCC2)c1)C(C)C 750305707 DABMMMWKCVZKHB-UHFFFAOYSA-N 287.407 3.715 30 20 CHED C[C@@H](C(=O)OCc1ccc(C#N)cc1F)C1CCCC1 750477400 VVAPWGJSIPZYLL-LLVKDONJSA-N 275.323 3.567 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2C)cc1 750938175 DCWKIYUSTCEHPI-UHFFFAOYSA-N 272.323 3.979 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1ncnc2sccc12 751135100 RAQDGZKXWBZMOL-JTQLQIEISA-N 294.383 3.700 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc3ccccc3c2)C1 752392303 GVLXGYJWAFHUNQ-SFHVURJKSA-N 293.370 3.997 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CC)CSc1ccccc1 752705454 BVQPHKVQNVLGMK-GFCCVEGCSA-N 298.839 3.609 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NCc1cc(C#N)ccc1F 754317075 JEUZDDLCORETOR-GFCCVEGCSA-N 290.382 3.776 30 20 CHED C#CC[C@H](NC(=O)N1C[C@@H](C)C[C@@H]1CC)c1ccccc1 757063203 XRBIGAGNSJQGRW-XIRDDKMYSA-N 284.403 3.581 30 20 CHED CCC[C@H](C)C(CC)=NNc1nc(O)c2ccccc2n1 757589099 IXQRWMMPBMWVNQ-NSHDSACASA-N 286.379 3.950 30 20 CHED C#CCCCCNCc1ccccc1N1CCCCC1 758498392 VKGSTAUJNNVHTM-UHFFFAOYSA-N 270.420 3.570 30 20 CHED C=CCCCOC(=O)c1cccc(Br)c1F 759141440 JZAGNGKUUPCUKR-UHFFFAOYSA-N 287.128 3.711 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2ccc(CC#N)cc2)c1 759879515 RJWUAPLMCBXBGR-AWEZNQCLSA-N 279.339 3.979 30 20 CHED Cc1cccc([C@@H](C)OC(=O)c2ccc(CC#N)cc2)c1 759879517 RJWUAPLMCBXBGR-CQSZACIVSA-N 279.339 3.979 30 20 CHED C#CCCc1noc(-c2ccc(C(C)(C)C)s2)n1 762029909 VQXDLTDUKBMAJN-UHFFFAOYSA-N 260.362 3.661 30 20 CHED Cc1cc(C)nc(NN=C[C@H](C)c2cccc(Cl)c2)n1 763339781 RLZMWRAGKYYPOI-JTQLQIEISA-N 288.782 3.948 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)cs2)cc1 765824093 JPWOAGPRPGIEPA-VOTSOKGWSA-N 272.325 3.651 30 20 CHED C#CCCCNC(C)(C)c1cccc(C(F)(F)F)c1 766894248 BSTCHZBZQAMHIT-UHFFFAOYSA-N 269.310 3.944 30 20 CHED COc1cc(C#N)ccc1CN(C)c1ccc(C)cc1 766896118 QDIOENUQJRJQER-UHFFFAOYSA-N 266.344 3.512 30 20 CHED COc1cc(C)ccc1C(C)=NNc1cccc(C#N)c1 767358713 DBDUTLQAUGSOHD-UHFFFAOYSA-N 279.343 3.711 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccsc1 768414597 JVTDWLGAHSRLIV-UHFFFAOYSA-N 251.351 3.625 30 20 CHED C/C=C(\C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 770445696 BQVYBJREDUNBGG-YNYSXPKMSA-N 274.389 3.649 30 20 CHED COCCC(=NN[C@@H]1CCCCC1(C)C)C(C)C 773124225 JJPBQYPKVYPXCC-CQSZACIVSA-N 254.418 3.593 30 20 CHED CCc1cnccc1[C@H](C)/N=C/c1cccc(OC)c1O 773152782 SPDKLSGPIIMMOZ-MKFNJMOCSA-N 284.359 3.538 30 20 CHED C#Cc1cccc(Nc2nc(-c3cc(C)no3)cs2)c1 776723415 HJXPVQKMJCXIIY-UHFFFAOYSA-N 281.340 3.831 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(C#N)c(F)c1 776765881 LWSOCJQZQZJNRH-LBPRGKRZSA-N 281.334 3.772 30 20 CHED CCC1(CC)CCN(Cc2ccc(OCC#N)cc2)CC1 776845483 CJFXKBXIYPXJIC-UHFFFAOYSA-N 286.419 3.991 30 20 CHED FC(F)(F)CCON=C[C@@H]1CCOc2ccccc21 777455942 PHSAENDFRDXHKV-JTQLQIEISA-N 273.254 3.508 30 20 CHED Clc1ccc2nc(C=NOC3CCCCC3)cn2c1 777460287 WEVPOOGJLYNBQF-UHFFFAOYSA-N 277.755 3.671 30 20 CHED Fc1ccc(/C=C/C=NNc2cc(Cl)ccn2)cc1 777906260 HGGHLBSYOQGPHW-JRKCTHNESA-N 275.714 3.985 30 20 CHED C#CCCCCCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 779794407 HQFILFMXVZJHJW-UHFFFAOYSA-N 288.347 3.734 30 20 CHED C=CCOc1cccc(C=NNc2ccc3[nH]ncc3c2)c1 779815824 DYDIOKKJNUDNKM-UHFFFAOYSA-N 292.342 3.574 30 20 CHED C#CCCCCCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 779908026 YLCHXCDPLVVBTI-UHFFFAOYSA-N 294.738 3.770 30 20 CHED C#CCCCCCC(=O)NCC(CC)(CC)CC 779934901 SUMDWQWCVMOTEN-UHFFFAOYSA-N 251.414 3.903 30 20 CHED C#CCNC1(c2ccc(C(F)(F)F)cc2)CCCC1 780322313 KMWQFYIYPUGKBX-UHFFFAOYSA-N 267.294 3.698 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)[C@]1(C)CCCO1 782222048 XEXQLBAVSYUVCS-AWEZNQCLSA-N 284.306 3.645 30 20 CHED CCc1ccc(CCON=C(C)Cn2nc(C)cc2C)cc1 783553675 OUPJEWOLZQDUMG-UHFFFAOYSA-N 299.418 3.698 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2scnc2C)cc1C 783712356 GELZXMVMHAGLRW-AATRIKPKSA-N 287.384 3.973 30 20 CHED C=CCCCCCOC(=O)C[C@@H](C)c1c(C)n[nH]c1C 784364932 NYVJRBHNZNGJES-GFCCVEGCSA-N 278.396 3.810 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O 787311975 ZKWRTVBFPMHGHW-ZDUSSCGKSA-N 281.783 3.595 30 20 CHED CC(=NOC[C@H]1CCOC1)C12CC3CC(CC(C3)C1)C2 788033673 KPSBFRSHEJRYAU-SIGVMEELSA-N 277.408 3.632 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn3cc(C)ccc3n2)cc1 789127620 OFYUYYYXTQSNGQ-HJWRWDBZSA-N 276.339 3.847 30 20 CHED C#CCC(C)(C)C(=O)NCCCCc1ccc(Cl)s1 791100829 YSRDJELZPKBCTM-UHFFFAOYSA-N 297.851 3.890 30 20 CHED C#C[C@H](CCC)NC(=O)c1cccc(-c2nc(C)cs2)c1 791202953 XHQQKWQXRCRJKQ-OAHLLOKOSA-N 298.411 3.650 30 20 CHED Clc1cccc(NN=C2CSCc3ccccc32)n1 793175444 VBUWPSZKGAKPAC-UHFFFAOYSA-N 289.791 3.798 30 20 CHED C[C@H]1CC[C@@H](CNCc2ccc(N(C)CCC#N)cc2)C1 793347653 VEACLDMEDJQTLI-DOTOQJQBSA-N 285.435 3.562 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1cncnc1)CCC2 794978128 IISXYEIYWLQPDG-UHFFFAOYSA-N 280.375 3.753 30 20 CHED C=CCOCCOC(=O)c1sc2ccccc2c1Cl 797306847 VKAHLPFVILVQRO-UHFFFAOYSA-N 296.775 3.914 30 20 CHED Cc1cc(C)c(C)c(OC(=O)c2cc(C#N)oc2C)c1 797941692 YERRFFUVLVAJNJ-UHFFFAOYSA-N 269.300 3.604 30 20 CHED C#C[C@@H](NC(=O)c1cccc(-c2csc(C)n2)c1)C(C)C 799048766 VFUJLZMLKCYCSD-OAHLLOKOSA-N 298.411 3.506 30 20 CHED COc1ccccc1CON=C/C=C\c1ccco1 799117417 LASGEUXROJNWIX-PLBVDPBDSA-N 257.289 3.504 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1C#N 799293225 UYOOZJCKMUQUGP-UHFFFAOYSA-N 264.328 3.736 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 803750900 OSQCLIUBGSSDNZ-CWRNSKLLSA-N 278.392 3.671 30 20 CHED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(Cl)cn1 804763462 INESOKCCDIOCFU-ZCFIWIBFSA-N 299.186 3.890 30 20 CHED Cc1cccc(CCC(=O)OCc2ccc(C#N)cc2F)c1 805867315 DZADTXRYVPGZBL-UHFFFAOYSA-N 297.329 3.682 30 20 CHED Cc1cc(/C=C2/Cc3nc(Cl)ccc3C2=O)ccc1C#N 806577885 HWOJPZBUSHHFQH-QPEQYQDCSA-N 294.741 3.738 30 20 CHED N#Cc1cc(/C=C2/Cc3nc(Cl)ccc3C2=O)ccc1F 806578003 ZXTSGZHCBVKYCJ-YHYXMXQVSA-N 298.704 3.568 30 20 CHED C#CCCCNC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 806877271 RJBIUKHJJDBQAO-NVXWUHKLSA-N 284.403 3.583 30 20 CHED CCCC[C@H](C)C(C)=NNc1ccccc1S(C)(=O)=O 807971122 JDLURBHDLOFBRY-LBPRGKRZSA-N 296.436 3.704 30 20 CHED COc1ccccc1C(C)=NNc1nccnc1C1CCC1 807992551 LBQYFACVKMOSSL-UHFFFAOYSA-N 296.374 3.589 30 20 CHED CC(=NN[C@@H]1CCSC1)c1sc(C(C)(C)C)nc1C 808002522 AEIFNXHVQGLXCI-LLVKDONJSA-N 297.493 3.568 30 20 CHED C#Cc1ccc(CNc2cc(CSCC)ccn2)cc1 809629260 JXAZADLFZLDPNK-UHFFFAOYSA-N 282.412 3.928 30 20 CHED C=CCCCCCCCN[C@H](C)C1CCN(C)CC1 810243990 WMVOFOUNBSEBBS-MRXNPFEDSA-N 266.473 3.833 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(C#N)s1 810766774 OECCWIHUBUPINP-UHFFFAOYSA-N 276.405 3.876 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1cccc2[nH]ccc12 811665611 RERXAYXKXREQCG-AWEZNQCLSA-N 293.370 3.559 30 20 CHED C=CCCCCCCCNC(=O)NCc1ncc(C)s1 811885495 KVVYVRXDMCPNEL-UHFFFAOYSA-N 295.452 3.777 30 20 CHED C#CCN(C)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 812040049 MRBSFTWKTUEEGK-MRXNPFEDSA-N 298.386 3.713 30 20 CHED C(=NOC1CCC1)c1cccn1Cc1cccs1 812235055 JSBBZFCWVSKQNW-UHFFFAOYSA-N 260.362 3.501 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccc(C)c(C)c1 812441608 DCAJGXXAPVLSJF-UHFFFAOYSA-N 282.343 3.838 30 20 CHED C=CCC[C@@H](CCC)Nc1cccc(OC(=O)NC)c1 814174564 GIRJOIMPYHABCP-CYBMUJFWSA-N 276.380 3.952 30 20 CHED CCCCCCCC(=O)OCc1nc(C(C)(C)C)n[nH]1 814442317 ZDRDCTHMLSETAM-UHFFFAOYSA-N 281.400 3.506 30 20 CHED C[C@H]1CCC(=NNc2ncccc2C(F)(F)F)C1 814801610 OGMWLROPOCBALE-QMMMGPOBSA-N 257.259 3.688 30 20 CHED CCCC(=NNc1cnc2ccccc2n1)c1ccccn1 814830274 FOVSEJUMFJUJRZ-UHFFFAOYSA-N 291.358 3.641 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1conc1Cc1ccccc1 814916509 BGGOZPVDDVQFED-KRWDZBQOSA-N 297.402 3.768 30 20 CHED Cc1ccc2snc(C(=O)O[C@@H](C)C(C)(C)C#N)c2c1 815993059 HKEUSOKREHZMAZ-JTQLQIEISA-N 288.372 3.700 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(C)CC(C)(C)C#N 817618043 QRELQKXHQAZUBS-CQSZACIVSA-N 266.429 3.991 30 20 CHED C=CCCCC(=O)O[C@H](C(=O)C1CC1)c1ccccc1 820416793 VTDWRQOXNRCAOW-KRWDZBQOSA-N 272.344 3.606 30 20 CHED C=CCC1(NC(=O)[C@H]2CCO[C@H](C(C)C)C2)CCCCC1 821796195 FNASQAQAPUTKMP-HOTGVXAUSA-N 293.451 3.833 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C(C)=C1CCC1 824696070 HHMJZFSSCCCYME-UHFFFAOYSA-N 282.387 3.797 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@]1(C)CC1(Cl)Cl 824774972 WJNCYYVLXUDLOE-AXFHLTTASA-N 250.213 3.761 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC2(C#N)CCCCC2)c1 825980119 RVJFECWTXFSXQN-UHFFFAOYSA-N 294.398 3.885 30 20 CHED CCN(C(=O)OC1CCC1)[C@H](C)c1ccc(C#N)cc1 830009358 ZJNYWJVAJRGGFX-GFCCVEGCSA-N 272.348 3.630 30 20 CHED O=C(/C=C/c1c[nH]c(C(=O)O)c1)c1ccc2ccccc2c1 833092264 ABYDALVKUWDDKY-VMPITWQZSA-N 291.306 3.762 30 20 CHED CC[C@@H](C)NN=C1CCC(OC2CCCC2)CC1 834973365 NZPOUDQGOUWLHY-KEKZHRQWSA-N 252.402 3.632 30 20 CHED CC(C)ON=C([C@H](C)OCc1ccccc1)C(F)(F)F 835000030 HMHKBSYZMBIRRF-NSHDSACASA-N 289.297 3.935 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ncc(F)cc1F 835022724 RNFRILVNBCXUNZ-JTQLQIEISA-N 253.296 3.584 30 20 CHED C[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C[C@H]1C 835036729 NHKWGHGHLMEVIM-MQYQWHSLSA-N 295.386 3.811 30 20 CHED C#CCCCCCOC(=O)c1ccc2cnccc2c1 835278580 OSDSEAXFUTZFQA-UHFFFAOYSA-N 267.328 3.585 30 20 CHED C=CC[C@H](C(=O)O[C@H](C)c1csnn1)c1ccccc1 836098795 YNOYNWUJFAXYEI-YPMHNXCESA-N 288.372 3.502 30 20 CHED O=C(C#CC1CC1)NCC1(Sc2ccccc2)CCCC1 837407426 BXWDQKGOYYZTKX-UHFFFAOYSA-N 299.439 3.621 30 20 CHED C#Cc1cncc(C(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)c1 839892419 VKJSJMZPLVUHJG-MRXNPFEDSA-N 298.430 3.740 30 20 CHED C#CCCCNC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 840311889 QARGTXBEBMVAQR-ROUUACIJSA-N 298.430 3.768 30 20 CHED CC(C)(C(=O)OCCC1(C#N)CCCCC1)C1CC1 840571054 BRFARVIWPZFHSN-UHFFFAOYSA-N 263.381 3.830 30 20 CHED O=C(/C=C/c1ccccc1OC1CCCC1)c1ncccn1 840722283 HPMRKOIVVUDNSM-ZHACJKMWSA-N 294.354 3.694 30 20 CHED C[C@]1(C=NOCC(F)(F)F)C[C@@H]1c1ccccc1 841630190 JHOFBTHYVZIDMC-VXGBXAGGSA-N 257.255 3.745 30 20 CHED Cn1c2c(c3cc(OC(=O)CCCC#N)ccc31)CCCC2 843020021 BQGXQDPSLUCZOX-UHFFFAOYSA-N 296.370 3.656 30 20 CHED C#CC1CCN(Cc2cccc(-c3cccnc3)c2)CC1 843427005 QHIMPHDIQBYQAI-UHFFFAOYSA-N 276.383 3.594 30 20 CHED C=CCCCCCCNC(=O)N1CCCC(F)(F)C1 845196572 VHFGTLPZCKIVTH-UHFFFAOYSA-N 274.355 3.564 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1cc(C#N)ccc1F 849846309 NXNJZYWVCJUTLO-HNNXBMFYSA-N 281.302 3.659 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCc1cnc(C)s1 850447139 HIWDADLLZBBGFO-HIFRSBDPSA-N 264.438 3.719 30 20 CHED CC(C)c1nc(C#N)c(NN=C2[C@@H]3CCC[C@@H]3C2(C)C)o1 853296088 AMHDEFCYVPKEQF-MNOVXSKESA-N 286.379 3.894 30 20 CHED CCN(C(=O)CON=CC1CC1)c1cccc2ccccc12 853736586 HEOUETKQYAYDJZ-UHFFFAOYSA-N 296.370 3.605 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)c1ccccc1 855006183 NDBKSUQCNBBONG-OTWHNJEPSA-N 289.378 3.589 30 20 CHED C[C@@]1(C(=O)OCc2ccc(F)cc2C#N)C[C@H]2CC[C@H]1C2 860187085 HINBOFVYNSQEIE-PZSREKOKSA-N 287.334 3.567 30 20 CHED CCCOc1ccc(NC(=O)N[C@H](CC)CC#N)cc1C 861623741 DLIJDJKOORZJLA-CYBMUJFWSA-N 289.379 3.598 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)C#CC(C)(C)C 862691622 UDBOIBXOCSVRBJ-INIZCTEOSA-N 271.404 3.564 30 20 CHED CC[C@@H](C)c1ccc(C(C)=NN(C)CCOC)cc1 863111903 KOWYAIAKKKWZPI-CYBMUJFWSA-N 262.397 3.502 30 20 CHED CC(CCCCCCC(=O)O)=NNc1cccc(C)n1 863160723 PXRCKMFETGYHMQ-UHFFFAOYSA-N 277.368 3.603 30 20 CHED COc1nccc2c(NCc3ccc(C#N)cc3)cccc12 864013828 FPXSZKIMPJSLAA-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=CC(C)(C)CC(=O)N1CCC(OC2CCCCC2)CC1 878553172 NSYBBCYOGDFIHL-UHFFFAOYSA-N 293.451 3.929 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H](c2ccccc2)C1 880106415 WNBISOZLIRSOLN-INIZCTEOSA-N 271.404 3.995 30 20 CHED C=C1CC(c2noc([C@@H]3CCC(=O)[C@@H](C)C3(C)C)n2)C1 896877313 HZPJGXXAKHZYBG-PWSUYJOCSA-N 274.364 3.612 30 20 CHED C=CC[C@@H](C)[C@H](C)NCC(C)(C)C1CCOCC1 897452238 UZFKVQZDSCNITB-KGLIPLIRSA-N 253.430 3.630 30 20 CHED C=C1CN(C(=O)C[C@H](C)c2ccc(C(C)C)cc2)C1 898697028 NLNLVRWNFWPCAQ-AWEZNQCLSA-N 257.377 3.702 30 20 CHED CCc1onc(C)c1C=NOc1ccccc1C(F)(F)F 901206621 VXOYEEIRNZNGEQ-UHFFFAOYSA-N 298.264 3.977 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C/c2cncn2C)cc1 901472560 KJYUYBNXPBOHTA-RMKNXTFCSA-N 286.400 3.817 30 20 CHED CCO[C@H]1CCC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 902983431 ZMHBDKMXLXGUPX-GJZGRUSLSA-N 292.810 3.649 30 20 CHED CC[C@H](NC[C@@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 903017272 RENUEFOMKLFTSV-WBVHZDCISA-N 286.419 3.804 30 20 CHED N#Cc1sccc1C(=O)Nc1ccccc1OCC1CC1 903557961 KAFMCBGPFHRSIP-UHFFFAOYSA-N 298.367 3.661 30 20 CHED c1ccc(CNN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 916344417 VYRCCVPUQZUACX-QXSJWSMHSA-N 254.377 3.588 30 20 CHED CC(=Nn1cnnc1)c1ccc(C2CCCCC2)cc1 916581537 FIDIUMFRZRMGKE-UHFFFAOYSA-N 268.364 3.598 30 20 CHED CC(=NNc1ncccc1Cl)c1cc(Cl)ccc1O 917546607 RQGUJMUSEHEEFF-UHFFFAOYSA-N 296.157 3.930 30 20 CHED CCCCCCCCC(=O)NC[C@H](C)N1CCCCC1 917838360 KDQAYUALKYKYRC-INIZCTEOSA-N 282.472 3.728 30 20 CHED CCN(Cc1ccccc1C#N)c1ccc(OC)c(OC)c1 921062453 YOASSQJMWOGLOR-UHFFFAOYSA-N 296.370 3.602 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 924697192 PSRQPWZKJPBFNF-STQMWFEESA-N 299.418 3.550 30 20 CHED CC(C)COC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccco1 924890984 UGEKPSMNYRQQPT-CABCVRRESA-N 292.423 3.911 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@@H](C)CC(C)(C)C#N)CC2 925373154 CJGNVAAPZPIZEW-BBRMVZONSA-N 256.393 3.900 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 929161607 SXSUUGIXTGIYMM-UHFFFAOYSA-N 258.365 3.994 30 20 CHED CCCCCCCCN(C)Cc1cccc(O)n1 933398087 JNURIDDSVMKFCM-UHFFFAOYSA-N 250.386 3.580 30 20 CHED Cc1cnc(CN2CCC(c3ccc(C#N)cc3)CC2)s1 933609158 DZMZMKFJWPEFPQ-UHFFFAOYSA-N 297.427 3.703 30 20 CHED C#Cc1ccc(NC(=O)N[C@@H](C)CCCC(F)(F)F)cc1 934927565 CTWVBKSLXBJZEZ-NSHDSACASA-N 298.308 3.911 30 20 CHED C=CCn1cnnc1SCc1cccc(F)c1Cl 1117703689 ZOTBTCHKRXBXOT-UHFFFAOYSA-N 283.759 3.549 30 20 CHED CSc1ccccc1C(C)=NN[C@H](C)c1ccncc1 1118096343 MZSBYFFOCNQGTC-GFCCVEGCSA-N 285.416 3.878 30 20 CHED CC[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CC1(C)C 1129857542 AQHMWNNSTMEXEQ-GXTWGEPZSA-N 290.794 3.766 30 20 CHED Cc1ccc(C#N)c(SCc2cccc(F)c2F)n1 1164120364 SUWMVUITCBXMSC-UHFFFAOYSA-N 276.311 3.832 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1nc(Cl)cs1 1186334848 IOEIIUHBJCANSE-LLVKDONJSA-N 275.764 3.768 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C)CC(C)(C)C2)c1 1206305637 JOCOABABRMRMCX-ZDUSSCGKSA-N 285.391 3.767 30 20 CHED N#Cc1cc(-c2nnc(C3CCC3)o2)ccc1Cl 1255257367 KXZNYRSZNVONHG-UHFFFAOYSA-N 259.696 3.529 30 20 CHED CCC[C@@]1(C)CCCN(c2cccc(CC#N)n2)C1 1320359430 IASGKZWOFCJPKY-INIZCTEOSA-N 257.381 3.554 30 20 CHED C[C@@H](CCNC(=O)CC#Cc1ccccc1)c1ccccc1 1322565353 PPTDQHVQULQFCT-KRWDZBQOSA-N 291.394 3.738 30 20 CHED CC(C)(C)c1csc(NC(=O)c2csc(C#N)c2)n1 1325416201 NJXUYSSGLQYWIG-UHFFFAOYSA-N 291.401 3.626 30 20 CHED CCOc1ccc(Sc2c(C#N)cccc2C#N)cc1 1326432458 QRMWNBZRPGKJDM-UHFFFAOYSA-N 280.352 3.980 30 20 CHED CC(C)(C)c1nnc(CSCc2ccc(C#N)cc2)o1 1341782877 BJPLTEHIYLBSJX-UHFFFAOYSA-N 287.388 3.672 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1cccc(F)n1)c1ccc(F)cc1 1342562835 RKVYVEKHLMLJCG-RBJHHQRMSA-N 298.292 3.640 30 20 CHED C[C@@H](Nc1cccc(CC#N)n1)c1cccc(F)c1F 1342858369 GAFMASTXYHEFET-SNVBAGLBSA-N 273.286 3.599 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1c1cccc(CC#N)n1 1342867210 ZTPQIIMKXXEEEQ-ZIAGYGMSSA-N 271.408 3.799 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C 1347407008 BFLOSFDNRWGMCX-KRWDZBQOSA-N 298.430 3.829 30 20 CHED N#C[C@H](C(=O)/C(F)=C\C1CCCCC1)c1cccc(F)n1 1357664569 WGBUXHXVYXTKSI-OQZOHAQUSA-N 290.313 3.831 30 20 CHED C=C[C@@H](CC)CC(=O)OC[C@H](C#N)Cc1cccs1 1358220085 OIAWPDIXSBIZCB-STQMWFEESA-N 277.389 3.576 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C(C)(C)c1cccc(Cl)c1F 1518826697 WUADTBBOZMIXIO-JTQLQIEISA-N 296.773 3.517 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)cc1 1523229196 PQNOFXDOJPYBMT-QGZVFWFLSA-N 294.329 3.560 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CCC[C@@H](C)[C@@H]1C 1535810113 MXHABKFRMLWIEM-FRRDWIJNSA-N 251.370 3.684 30 20 CHED Cc1cccn2cc(C(=O)Nc3ccc(CC#N)cc3)cc12 1539050083 QCJOUNHYYZZEJD-UHFFFAOYSA-N 289.338 3.566 30 20 CHED CCc1c[nH]c2ncnc(Sc3ccc(C#N)cc3)c12 1559078137 VFMJAPAKMCZNEA-UHFFFAOYSA-N 280.356 3.543 30 20 CHED N#Cc1c(F)cccc1CNC1(C2CCCCC2)CC1 1561041786 FUWAUFWKPQSYDH-UHFFFAOYSA-N 272.367 3.900 30 20 CHED C=C(C)COc1cccc(NCc2cc(C(=O)O)co2)c1 1588573208 BUXXYKRUJLKGLR-UHFFFAOYSA-N 287.315 3.545 30 20 CHED CCN(Cc1cccc(C(=O)O)c1C#N)c1cccc(C)c1 1605458302 OBTUFIWLSLSECB-UHFFFAOYSA-N 294.354 3.591 30 20 CHED Cc1cc(NC(=O)c2cccc3ccsc23)ncc1C#N 1611366861 IWTYINJKPHSDTG-UHFFFAOYSA-N 293.351 3.729 30 20 CHED Cc1cc(C#N)nc(NC[C@@H](Cc2ccccc2)C(C)C)n1 1612272625 QGSBYWRQSYCZDF-MRXNPFEDSA-N 294.402 3.584 30 20 CHED C=C(Cl)CNC1(CC(=O)OC(C)(C)C)CCCCC1 1618916737 WOIZYZKVALVMLE-UHFFFAOYSA-N 287.831 3.763 30 20 CHED Cc1ccc(CCNc2cccc(F)c2C#N)cc1C 1642911783 YGZHZEPXEGVSGB-UHFFFAOYSA-N 268.335 3.969 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1nc2ccccc2o1 1651168688 MJOZFPANQZVFDV-LBPRGKRZSA-N 277.327 3.897 30 20 CHED CC[C@@H]1CCCC[C@H]1CNc1cc(C)c(C#N)cn1 1651897133 MNNVYNZHIUHRLO-KGLIPLIRSA-N 257.381 3.890 30 20 CHED Cc1nnsc1CSc1ccc(Cl)cc1C#N 1652691565 INOVAZSVWPXZIP-UHFFFAOYSA-N 281.793 3.664 30 20 CHED N#Cc1ncccc1SCc1cc(-c2ccccc2)no1 1652837941 FIEITGDUJUUBFI-UHFFFAOYSA-N 293.351 3.901 30 20 CHED CCC[C@H](C)[C@H]1CCCN1CCOc1ccccc1C#N 1652889605 COQAOJHUWUCPSF-DOTOQJQBSA-N 286.419 3.838 30 20 CHED CC(C)C[C@]1(CO)CCCN1CCC1(C#N)CCCCC1 1654344779 JCIKVPOEUWRSRI-SFHVURJKSA-N 292.467 3.724 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H](N=c2cc[nH]c(C#N)c2)CC1 1655379862 NYZIVGVBFHMDEW-KGLIPLIRSA-N 271.408 3.782 30 20 CHED CC(C)CC[C@@H]1CCCN1CCOc1cccc(C#N)c1 1657782186 AKDOKBSSTQVBDT-KRWDZBQOSA-N 286.419 3.838 30 20 CHED N#Cc1cccc2c1CCN2Cc1cc2ccccc2o1 1659079918 AAWYMJHGTICZBU-UHFFFAOYSA-N 274.323 3.867 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2sccc2C#N)s1 1663159917 SYDGYQVWNGEDOP-VIFPVBQESA-N 291.401 3.872 30 20 CHED CC(=NNc1cc(F)ccc1C)c1csc(C(=O)O)c1 1776091915 NIVPXGVYYHPRIG-UHFFFAOYSA-N 292.335 3.730 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)o2)c1 1776126927 BIQMARNBSJQTLQ-FKJILZIQSA-N 282.295 3.582 30 20 CHED Cc1cccc(C(=O)/C=C/c2cc3[nH]c(C(=O)O)cc3o2)c1 1776127491 VGHVMPVBYKTZSS-AATRIKPKSA-N 295.294 3.664 30 20 CHED C=C(C)CCCN(CC)CC1CCC(C(=O)O)CC1 1776138548 CGJNPDLISPNDFK-UHFFFAOYSA-N 267.413 3.556 30 20 CHED C=CC[C@]1(C(=O)O)CCN(Cc2ccc(Cl)cc2C)C1 1776161437 FUTFWZWQHVBIGO-INIZCTEOSA-N 293.794 3.501 30 20 CHED C=Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)cc1 1776194522 SJUAZQHBPPNNFT-XFXZXTDPSA-N 292.334 3.853 30 20 CHED C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 32533556 ULKSGQPZDPVWKE-NSHDSACASA-N 267.288 3.640 30 20 CHED O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 33472173 LSRYUCJIXRVZSJ-XQRVVYSFSA-N 288.690 3.539 30 20 CHED C=CCOc1ccc(CNc2ccccc2[N+](=O)[O-])cc1 37058834 UGKWEBQNMFHDNG-UHFFFAOYSA-N 284.315 3.772 30 20 CHED C[C@@H](NCCc1cccs1)c1cccc(C#N)c1 37211914 HHHIFIFIQMUDBU-GFCCVEGCSA-N 256.374 3.513 30 20 CHED CCC(CC)[C@@H](CN[C@H](C)c1cccc(C#N)c1)N(C)C 37241170 JFFFSJSOEMDSNJ-RDTXWAMCSA-N 287.451 3.575 30 20 CHED N#Cc1cccnc1NCCc1cccc2ccccc12 42108924 BLTBKTDLKUKNLB-UHFFFAOYSA-N 273.339 3.761 30 20 CHED N#Cc1ccc(COc2ccc(C=O)cc2Cl)c(F)c1 43488901 FVVCNQJAUWQCKZ-UHFFFAOYSA-N 289.693 3.742 30 20 CHED CC1CCC(N(C(=O)c2ccc(C#N)cc2)C2CC2)CC1 45415379 FNGHNLFOVWXTAG-UHFFFAOYSA-N 282.387 3.742 30 20 CHED C[C@@H](C#N)CN(C)C1c2ccccc2-c2ccccc21 49001201 ISCJZBOIZQAMIP-ZDUSSCGKSA-N 262.356 3.848 30 20 CHED CCCCC1CCC(C(=O)Nc2ccc(C#N)cn2)CC1 51952952 VKIRBYZDHQLGAA-UHFFFAOYSA-N 285.391 3.888 30 20 CHED C[C@H](CC(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 57462754 XNACGSXSMHXUQO-CYBMUJFWSA-N 296.345 3.507 30 20 CHED N#Cc1cccnc1Nc1ccc(N2CCCCC2)cc1 57988869 RRVHOTSGJMUHCF-UHFFFAOYSA-N 278.359 3.687 30 20 CHED CCCCOCCN(Cc1ccc(C#N)cc1)C(C)C 58396961 QUKHXJOLGXXCRQ-UHFFFAOYSA-N 274.408 3.585 30 20 CHED CCCCC1CCC(C(=O)N2CCC(C#N)CC2)CC1 61584929 ZRMBOSGYRXLDFW-UHFFFAOYSA-N 276.424 3.745 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1O 72543178 PFXKYFBFQFDTEX-QHHAFSJGSA-N 290.265 3.575 30 20 CHED Cc1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])cc1F 73109539 VYSJPUSZXWDWOE-UHFFFAOYSA-N 285.278 3.526 30 20 CHED Cc1cc(C)cc(CN(CCC#N)Cc2ccco2)c1 78666938 TWXOVGWIXSXDOT-UHFFFAOYSA-N 268.360 3.812 30 20 CHED CC(C)(C)c1nc(CSCc2ccccc2C#N)no1 79329492 IXRVDKVULHEGMS-UHFFFAOYSA-N 287.388 3.672 30 20 CHED C[C@H]1CC[C@@H](C)N(C(=O)c2cccc(SCC#N)c2)C1 79535303 IOXAAPAGWHNHCY-QWHCGFSZSA-N 288.416 3.563 30 20 CHED CCCN(CC#N)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 81857953 SJZJJGPXXGIWJK-SNVBAGLBSA-N 299.201 3.859 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)c1cc(C#N)cs1 84095704 KNHDOUCZSUSJDJ-OAHLLOKOSA-N 298.411 3.761 30 20 CHED Cc1cc2c(Oc3ccc(C#N)cc3C)ncnc2s1 90088388 UFMARCZKTWKLRH-UHFFFAOYSA-N 281.340 3.972 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(NCc2ccc(C#N)o2)c1 90200631 GARSIKPZKBTYDT-UHFFFAOYSA-N 292.342 3.566 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cn1 90665507 FDTQQSIENHQDOV-GUYCJALGSA-N 283.350 3.916 30 20 CHED CC(C)N(CC#Cc1ccc(Cl)cc1)Cc1cccnc1 93223793 KVVUKDRIJUQWOM-UHFFFAOYSA-N 298.817 3.997 30 20 CHED C=CCN(C(=O)c1cc2ccccc2cc1O)C(C)C 97636412 LUOKRAVJFYTCSO-UHFFFAOYSA-N 269.344 3.582 30 20 CHED CC(C)CCN(CCC#N)C(=O)CSc1ccccc1 103440785 GARNGINRRZNNNP-UHFFFAOYSA-N 290.432 3.567 30 20 CHED Cc1csc([C@H](C#N)C(=O)CCc2ccccc2C)n1 103635640 HGNUYFFHKVNYGF-CQSZACIVSA-N 284.384 3.569 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cn1)c1ccccc1Cl 107790889 VXGNOBXRMGDKSK-SNVBAGLBSA-N 286.718 3.525 30 20 CHED CC(C)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2F)cc1 108802284 SUXALZHHPLQHMF-KRWDZBQOSA-N 296.345 3.944 30 20 CHED C=CC1CCN([C@H](C)C(=O)Nc2c(C)cccc2C)CC1 111260313 HGSUKPMUEHPNSF-OAHLLOKOSA-N 286.419 3.528 30 20 CHED C[C@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1ccccn1 114617800 CYQYSUCADSVWEJ-HIFRSBDPSA-N 270.376 3.864 30 20 CHED C=CCNC(=O)CS[C@@H](C)c1ccc(F)c(Cl)c1 126747263 FEIZSYWTZCLZIZ-VIFPVBQESA-N 287.787 3.576 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 128706733 HQZUMPNIFVYQGH-ZDUSSCGKSA-N 294.329 3.996 30 20 CHED CC[C@H](CC#N)NCc1ccc(C)cc1Br 129623803 JKZVZXAUGMALBU-GFCCVEGCSA-N 281.197 3.539 30 20 CHED CCn1cc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)cn1 134291038 LRYCLBAVWURLOO-VOTSOKGWSA-N 289.404 3.553 30 20 CHED Cc1cccc2cc(C(=O)NCc3ccc(C#N)cc3)oc12 149044892 OYUFHBNUFZHBPH-UHFFFAOYSA-N 290.322 3.543 30 20 CHED C=CCCSCC(=O)Nc1c(C)cc(C)cc1C 151976152 MOIUYGMISVSDDC-UHFFFAOYSA-N 263.406 3.860 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc(SC)cc1 152622500 OCMMDFSXPZYDSR-RMKNXTFCSA-N 272.373 3.521 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1ccc(Oc2ccccc2)cc1 153255895 OLAHVVDPKZIROB-ZDUSSCGKSA-N 295.342 3.903 30 20 CHED CC[C@H](/N=C/c1cccc(OC)c1O)c1c(C)noc1C 154803142 YDPPCQHTKIHAGB-YRUBURHZSA-N 288.347 3.576 30 20 CHED COc1ccc(CN(CCC(C)(C)C#N)C2CC2)cc1 157448501 LECXORAPHQVABY-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C=CCN(CC=C)Cc1cc(OC)c(OC)cc1SC 158119886 NDJUPOCHIYFXCS-UHFFFAOYSA-N 293.432 3.600 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(CCC#N)Cc2ccco2)o1 159593375 WGLZKORJDDAIDD-BBRMVZONSA-N 284.359 3.912 30 20 CHED CCCOc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 166926174 BFLBNAWVKCOLOX-UHFFFAOYSA-N 295.342 3.991 30 20 CHED Cc1ccc(C(=O)Nc2ccc(OCCC#N)cc2)cc1 171095500 QDYPYJQZXYAVAR-UHFFFAOYSA-N 280.327 3.540 30 20 CHED COc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1OC 172044860 DDOGWUKMOPNKBT-QPEQYQDCSA-N 298.313 3.665 30 20 CHED C[C@H]1CCCN1c1ccc(C#N)cc1C(F)(F)F 172811372 OJFRBRJXEBUHJP-VIFPVBQESA-N 254.255 3.566 30 20 CHED Cc1cc(F)cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 175151356 FOKGBUDEWINKRV-UHFFFAOYSA-N 299.349 3.815 30 20 CHED COc1cccc(/C=C2\Cc3ccc(F)cc3C2=O)c1OC 176411105 CVQIBXZYGSELQJ-UKTHLTGXSA-N 298.313 3.665 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccc(C)cc1F 176615326 FTNHLCXQUFIDFF-UHFFFAOYSA-N 299.345 3.629 30 20 CHED CCN(C(=O)C[C@H](C)SC)[C@@H](C)c1ccc(C#N)cc1 179259125 BNCLLQNTQMPPQC-STQMWFEESA-N 290.432 3.609 30 20 CHED C=C(C)CN(C)C(=O)c1occc1COc1ccccc1 180414470 KYZUSZSTHFFVNL-UHFFFAOYSA-N 285.343 3.507 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCCCC1)c1ccccc1F 182044509 QMAPPWSBZLMRDI-GFCCVEGCSA-N 275.323 3.904 30 20 CHED CC[C@@H](CC#N)NC(=O)C1CCC(c2ccccc2)CC1 183860171 XQJWOOKUHWNYOH-JCYILVPMSA-N 284.403 3.769 30 20 CHED CCC[C@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)C(C)C 184013859 OFWQPKTXXBIXDL-PKOBYXMFSA-N 298.430 3.626 30 20 CHED COc1ccsc1C(=O)/C=C/c1csc([N+](=O)[O-])c1 184769997 JESSCVZFUQLVGW-NSCUHMNNSA-N 295.341 3.623 30 20 CHED CC[C@H](CN[C@H]1CCC[C@H](C#N)C1)Oc1cccc(F)c1 185850541 XKESIEOAKRSITR-CWRNSKLLSA-N 290.382 3.655 30 20 CHED Cc1cc(C)cc(NC(=O)c2cccc(F)c2C#N)c1 185998241 BMXZYJSNNXVUCN-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CSCc1ccccc1NC(=O)C#Cc1ccccc1 186154448 VYCWIPSRRHOOCP-UHFFFAOYSA-N 281.380 3.540 30 20 CHED CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)cc1 186377728 PZCDLHKJRLPFDU-SFHVURJKSA-N 290.366 3.535 30 20 CHED CCc1c[nH]c(SCc2ccc(Cl)cc2C#N)n1 186631807 YLKISKLLPQQANJ-UHFFFAOYSA-N 277.780 3.789 30 20 CHED C=C(C)[C@H](NCc1cncs1)c1ccc(F)c(F)c1 187368742 BDCVCEKHGVOEFD-AWEZNQCLSA-N 280.343 3.828 30 20 CHED C=C[C@@](C)(CC)C(=O)N(CC)Cc1ccc(OC)cc1 190191498 QZXTXKDOPKRUKV-KRWDZBQOSA-N 275.392 3.646 30 20 CHED Cc1c([C@@H](C)NCc2cc(C#N)n(C)c2)oc2ccccc12 190791800 RHWLRJFMIMWEHY-CYBMUJFWSA-N 293.370 3.802 30 20 CHED CCN(Cc1ccc(C(F)(F)F)cc1C)C[C@H](C)C#N 191054590 KQWPLQPMAHWQBQ-LLVKDONJSA-N 284.325 3.995 30 20 CHED CCCCCCCC[S@](=O)c1ccc(C)cn1 191183293 FZCQJHZUHDQMBM-KRWDZBQOSA-N 253.411 3.858 30 20 CHED C#CCCCC(=O)N(Cc1ccc(Cl)cc1)C1CC1 192136310 JDTPRODBEZFAJJ-UHFFFAOYSA-N 275.779 3.635 30 20 CHED N#CCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 193039311 SCBYFEQLXFJBGK-UAGQMJEPSA-N 267.376 3.703 30 20 CHED CC(C)Oc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 194742652 IETCJOBKQOVNTP-UHFFFAOYSA-N 294.354 3.527 30 20 CHED C=C(Cl)CN1C(=O)S/C(=C/c2cccs2)C1=O 206972270 WDFQXKIJEWYKQB-WEVVVXLNSA-N 285.777 3.537 30 20 CHED CC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CCOCC1 227825176 YPJISMTYQLOBIK-UHFFFAOYSA-N 298.308 3.806 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 232763582 BUYXLGBMYQDSAM-HNNXBMFYSA-N 274.383 3.955 30 20 CHED C=CCOc1ccc(CN[C@H](C)CC)cc1Cl 236899886 CNKNGBZSJLRWBV-LLVKDONJSA-N 253.773 3.793 30 20 CHED CCN(C(=O)CC(C)C)[C@@H](C)c1ccc(C#N)cc1 248264163 XEGWNZMUNYHSGP-ZDUSSCGKSA-N 258.365 3.514 30 20 CHED Cc1cc(/C=C\C(=O)c2cccs2)ccc1-n1cncn1 255279187 UGWCMEDYXZMFIX-ALCCZGGFSA-N 295.367 3.533 30 20 CHED CCc1nc([C@@H](C)Nc2snc(Cl)c2C#N)cs1 264768336 OSIZJCRTANPAOK-ZCFIWIBFSA-N 298.824 3.860 30 20 CHED C[C@H](NCc1csc(C2CC2)n1)c1ccc(C#N)cc1 264942623 GZGYWYAHXAACTN-NSHDSACASA-N 283.400 3.743 30 20 CHED Cc1cccc2cc(C(=O)N(CC#N)C3CCCC3)oc12 265651937 XTKRQLYPRGVTDP-UHFFFAOYSA-N 282.343 3.650 30 20 CHED CC(C)c1cnc(SCCCC(C)(C)C#N)n1C 266995972 AZZMROILPJLCSE-UHFFFAOYSA-N 265.426 3.966 30 20 CHED Cc1cnc([C@H](C)Nc2ncc(C#N)cc2Cl)s1 267376227 KPZMFGFEPFVLDB-QMMMGPOBSA-N 278.768 3.545 30 20 CHED C[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 267749429 IGRWDRCWNCLILH-SECBINFHSA-N 297.280 3.593 30 20 CHED N#CCCCNC(=O)Cc1csc2ccc(Cl)cc12 272980762 CXXLCCAKSFUKAQ-UHFFFAOYSA-N 292.791 3.517 30 20 CHED C=C[C@H](CC(=O)N1CCCC[C@@H]1C(=O)CC)c1ccccc1 274870187 YZIMALFIRJREAS-NVXWUHKLSA-N 299.414 3.707 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(N2CCCCCC2)c1 278344496 MJRYKDMVHWAUCW-UHFFFAOYSA-N 299.418 3.945 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)c1cccc(C(C)C)c1 280510464 CWUNCCIWFZJVSM-UHFFFAOYSA-N 282.343 3.860 30 20 CHED CCc1ncsc1NC(=O)c1ccc(C(C)(C)C#N)cc1 281068588 DDEDYVZEUCSPBS-UHFFFAOYSA-N 299.399 3.759 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1c(F)cccc1F 281159942 WSQAWLGVWFHACY-WDEREUQCSA-N 267.319 3.539 30 20 CHED CC(C)c1ccoc1C(=O)Nc1ccc(CC#N)cc1 284447243 HVJDISIPECSZNW-UHFFFAOYSA-N 268.316 3.721 30 20 CHED C=CCC[C@H](NCC(C)(C)CCOC)c1ccco1 285490369 AHJNTPJNMVUPGL-AWEZNQCLSA-N 265.397 3.939 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(N2CCC(C)CC2)c1 286517549 QNBNKSBXBSUSJY-SFHVURJKSA-N 299.418 3.801 30 20 CHED C=C(C)[C@H](CC(=O)N1Cc2cccc(Cl)c2C1)OCC 290302737 CHSAKRPBICJFCY-HNNXBMFYSA-N 293.794 3.554 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 292377778 WDIITSWLRRKKRG-CYBMUJFWSA-N 293.794 3.882 30 20 CHED C=CCOCCSCCCCSCCOCC=C 292733343 UDTFWRUQDYDHGW-UHFFFAOYSA-N 290.494 3.638 30 20 CHED CN(CCc1ccc(Cl)cc1)[C@@H]1CC[C@H](C#N)C1 293215096 VDKPPVAZKCHHOW-DZGCQCFKSA-N 262.784 3.507 30 20 CHED Cc1ccc(N(C)C(=O)[C@@]2(C#N)CC23CCCC3)cc1C 298546006 KLQPDPPZKIVRBL-SFHVURJKSA-N 282.387 3.740 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1ccccc1C 299273808 PPBQLFPXAMUWSU-DOTOQJQBSA-N 287.403 3.640 30 20 CHED C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(Cl)ccc1C#N 301904214 PMANLJGDKSPPEW-IINYFYTJSA-N 290.750 3.729 30 20 CHED CC(C)c1nc(N2CCC(C#N)CC2)cc(C(C)(C)C)n1 302919454 YKWQKYWGDQEQBL-UHFFFAOYSA-N 286.423 3.637 30 20 CHED CCCc1ccc(C(=O)COc2ccc(C#N)c(F)c2)cc1 303384428 WUMQIBJKBLDHTH-UHFFFAOYSA-N 297.329 3.912 30 20 CHED C=C[C@@H](Sc1ccc(C(C)C)cc1)C(=O)OC 304208839 GILVLIQDNHQFJK-CYBMUJFWSA-N 250.363 3.630 30 20 CHED N#Cc1sc(N2CCC[C@H]2C2CCCC2)nc1Cl 311096775 ZZRHWBHZRJMPKK-JTQLQIEISA-N 281.812 3.827 30 20 CHED C[C@@H]1CC[C@@H](CC(O)=Nc2cnccc2-n2cccn2)C1 328641684 DHRRWLWJBPGPNR-CHWSQXEVSA-N 284.363 3.682 30 20 CHED O/C(=N/C(C1CC1)C1CC1)Nc1scnc1C1CC1 328915336 JNXVANUUYDEDLA-UHFFFAOYSA-N 277.393 3.535 30 20 CHED CC1(C)CCC[C@@H](/N=C(/O)c2snnc2C2CC2)C1 329585877 RIEABMHGEVXEDY-SNVBAGLBSA-N 279.409 3.689 30 20 CHED CC1(C)CCC[C@H](/N=C(/O)C[C@H]2CCCC(O)=N2)C1 329650461 KNFSFOIUEUMYSJ-NEPJUHHUSA-N 266.385 3.811 30 20 CHED C[C@H](CCC1CC1)/N=C(/O)N[C@H]1CCOC2(CCCC2)C1 329891396 HUNIOBHNNSSARJ-HIFRSBDPSA-N 294.439 3.561 30 20 CHED CCSc1nnc(N=C(O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)s1 329915407 YINADYAPRVOAOD-RXKWGBCNSA-N 295.433 3.530 30 20 CHED CC1CC(/N=C(/O)c2ccc3c(c2)C(C)(C)C(O)=N3)C1 330234803 SVVDEMJCCHKVGR-UHFFFAOYSA-N 272.348 3.669 30 20 CHED CCc1cccc(CC)c1N/C(O)=N/C[C@@]1(C)CCOC1 330768847 YRRGOGREBYCZPF-QGZVFWFLSA-N 290.407 3.564 30 20 CHED Cc1cc([C@H](C)N/C(O)=N/C[C@@H]2CCCCS2)c(C)o1 330811570 BWSJYNQIKSNYRL-AAEUAGOBSA-N 296.436 3.747 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CC=CCC2)c(Cl)c1 334531537 JBTRJGJNCWSAFD-GFCCVEGCSA-N 274.751 3.701 30 20 CHED N#CCc1cccc(NC(=O)N[C@@H]2CCCc3occc32)c1 334741227 QPPVYCCSJJAUOD-OAHLLOKOSA-N 295.342 3.545 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc3oc(C(F)(F)F)nc3c2)C1 334999939 JXVSMVUNTQXKAI-BDAKNGLRSA-N 295.264 3.951 30 20 CHED N#Cc1ccsc1NC(=O)c1sccc1C1CC1 335772561 KXFYCOKWGWMIBW-UHFFFAOYSA-N 274.370 3.811 30 20 CHED N#CCCCCN(Cc1cccs1)CC(F)(F)F 336704322 HJXBVPQCTHERDN-UHFFFAOYSA-N 276.327 3.806 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)C1CCCCC1 337892479 IUDVVWDHQPKQND-UHFFFAOYSA-N 270.376 3.662 30 20 CHED CCN(CCC#N)C(=O)[C@@H](CC(C)C)c1ccccc1 343783204 QZTKXNYKJFFMTE-INIZCTEOSA-N 272.392 3.578 30 20 CHED Cc1sc(NC(=O)[C@@H]2CC[C@@H](C)C2)c(C#N)c1C 345238332 VQDDBAJCXCEEOJ-LDYMZIIASA-N 262.378 3.611 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@H]1c1ccccc1 345770768 LXLFIEBPHNBGDJ-KRWDZBQOSA-N 266.319 3.644 30 20 CHED C=CC1CCN(C(=O)c2ccc(COC(C)C)cc2)CC1 346820864 IIWNIJLCFKFMRM-UHFFFAOYSA-N 287.403 3.650 30 20 CHED N#CC1(CSc2nc3ccccc3n2C(F)F)CC1 347018262 FGQNGYCLCISIGB-UHFFFAOYSA-N 279.315 3.827 30 20 CHED C=CCOCCCN1CCC[C@H]1c1ccc(F)cc1 347967525 OYJMCWWHGMSYDI-INIZCTEOSA-N 263.356 3.555 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCc2cc(F)ccc21 348197628 LSRAKOUQXCQEQY-HNNXBMFYSA-N 260.356 3.733 30 20 CHED C[C@@H](CCC#N)N(C)Cc1cccc2ccccc12 351622567 WGDUCQBFYHQDEU-AWEZNQCLSA-N 252.361 3.964 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCCS1)c1ccco1 353395650 QMIRRUGXASJVRC-QWHCGFSZSA-N 251.395 3.772 30 20 CHED C=CCN(C(=O)[C@H](C)Cc1cncc2ccccc12)C1CC1 355579950 FBHNNEOVKGJQDW-CQSZACIVSA-N 294.398 3.590 30 20 CHED CC[C@H](O)CCCNc1ccc(C(F)(F)F)cc1C#N 357503080 MKMWFTSOMBZOHC-LBPRGKRZSA-N 286.297 3.540 30 20 CHED C=CCN(Cc1ccc(OCc2ccccn2)cc1)C1CC1 357557061 YAQRZCPSGXOAKN-UHFFFAOYSA-N 294.398 3.811 30 20 CHED Cc1nnc(NCc2cc3ccccc3s2)c(C#N)c1C 357943532 MDTITSJNKFWTBM-UHFFFAOYSA-N 294.383 3.792 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 358066215 NNLVPARDNWVOJZ-PWSUYJOCSA-N 296.823 3.629 30 20 CHED CCCC[C@@H](C)N(C)C(=O)c1cccc(C#N)c1C 358249180 SSBDRSSGCZERCH-GFCCVEGCSA-N 258.365 3.517 30 20 CHED C=CCC[C@H](N[C@@H](COC)C(C)C)c1ccccc1 358343317 SKOAWWOYTSUABL-IRXDYDNUSA-N 261.409 3.955 30 20 CHED C=CCCOCCCCC(=O)Nc1c(F)cccc1OC 358474999 NCIVVSNKHMHRCV-UHFFFAOYSA-N 295.354 3.536 30 20 CHED C=CCCC(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 361091320 NDNUEZKHAPVYGW-SDDRHHMPSA-N 276.405 3.951 30 20 CHED N#Cc1cccc(N2CCC(c3cccc(F)c3F)CC2)n1 364917396 UGXVFWPPZYUBOM-UHFFFAOYSA-N 299.324 3.615 30 20 CHED Cc1ccc(N(C)[C@@H]2CCCN(CCCCC#N)C2)cc1 372352475 YRPWQWGRVXFIKQ-GOSISDBHSA-N 285.435 3.590 30 20 CHED CCCCCCCC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 378089633 MRQYWZCLTNMOBZ-DOTOQJQBSA-N 293.451 3.907 30 20 CHED COc1ccc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)cc1C#N 393537318 AZTIBFSVSHUDAT-HOTGVXAUSA-N 284.403 3.577 30 20 CHED C[C@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1Cl 401192678 BMABRGFVFIYGSJ-QMMMGPOBSA-N 293.157 3.828 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)c(F)c2)cs1 404677277 HWDUKWGXTJSSMT-NSHDSACASA-N 274.364 3.918 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Cl)cc1C 410142546 YDUYORMUSHHDRA-LBPRGKRZSA-N 251.757 3.733 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(Cl)c(F)c1 410144736 YEYMGWHNVFTXTM-JTQLQIEISA-N 255.720 3.564 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)C(C)(C)CC 410724364 KMTHPVIKJZUSBP-ZIAGYGMSSA-N 264.413 3.744 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC12CCCC2 412836199 FRANIDJPNGTNLW-SJORKVTESA-N 283.415 3.870 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC12CCC2 417356129 BQVSMIQKUJIUNU-DLBZAZTESA-N 266.388 3.858 30 20 CHED CC(C)CC1(CNC(=O)C2(c3cccc(C#N)c3)CC2)CC1 435260206 NMJNDEGXUAOMBX-UHFFFAOYSA-N 296.414 3.532 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 437490118 BURLMOVLIKIMMT-QZTJIDSGSA-N 295.382 3.551 30 20 CHED C=CCCCCCN(C)Cc1ccccc1N(C)C 441453619 BBFBSWXMVJFJBF-UHFFFAOYSA-N 260.425 3.931 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2cccc(Cl)c2Cl)C1 442781443 IWEWEACWNWIWHK-CMPLNLGQSA-N 283.202 3.818 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(C)(C)C)C1 442899736 QPDJMGVLOODOLF-CJNGLKHVSA-N 256.393 3.987 30 20 CHED CCCC[C@@H](C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 443420200 STLGGJPCXVTAIU-GFCCVEGCSA-N 275.396 3.880 30 20 CHED CCOc1ccccc1CNCc1ccc(C#N)c(C)c1 443968682 WSYFYZPBTDWHDZ-UHFFFAOYSA-N 280.371 3.555 30 20 CHED Cc1ccc(C[C@@H](C)NCc2ccc(C#N)c(C)c2)s1 443980720 BFUOKWMUGMKFCT-CYBMUJFWSA-N 284.428 3.957 30 20 CHED Cc1cc(CN[C@@H]2CCCOc3ccccc32)ccc1C#N 443981250 FHIGCNVZJBOROO-GOSISDBHSA-N 292.382 3.870 30 20 CHED Cc1cc(CNc2cc(F)ccc2C)ccc1C#N 443990830 SBABDFLXPJLWFR-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](C)C1 444143198 LVFVDXKMVITZGB-ZBFHGGJFSA-N 272.392 3.573 30 20 CHED COc1ccc(C#N)cc1CN(C)C[C@H](C)c1ccccc1 446831665 HGCZMYYJQWCTGD-HNNXBMFYSA-N 294.398 3.802 30 20 CHED CC[C@@H](NCCc1sc(C)nc1C)c1ccc(C#N)cc1 447527136 FFJYOCZMTLJIOM-MRXNPFEDSA-N 299.443 3.915 30 20 CHED C=CCC[C@@H](NC(=O)c1ccnc(C)c1)c1ccccc1 447569298 OWBJAYCOKHNEDU-QGZVFWFLSA-N 280.371 3.827 30 20 CHED CCC(C)(C)C1CCC(NC(=O)[C@@]2(C#N)C[C@H]2C)CC1 448597368 XIPZRQYPOLZSHC-QROZZAMVSA-N 276.424 3.647 30 20 CHED C=CCC1(C(=O)NCCCc2nccs2)CCCCC1 448879909 DZPNXFZLUQOPTH-UHFFFAOYSA-N 292.448 3.719 30 20 CHED C=CCC1(C(=O)Nc2ccc(SC)cn2)CCCC1 449879359 GTUYDYFSDOEAGZ-UHFFFAOYSA-N 276.405 3.879 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 449890551 TYSLTHMHTOXWGM-KGYLQXTDSA-N 263.768 3.524 30 20 CHED N#Cc1ccnc(N[C@H](c2cccc(F)c2)C2CCCC2)n1 450380583 RDYYURJDLRFOLJ-INIZCTEOSA-N 296.349 3.831 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc2ccccc12 451601524 AAGVDZQJGMHTOI-XWIAVFTESA-N 267.372 3.834 30 20 CHED C=CC(C)(C)C(=O)NC[C@H]1CCCCC(F)(F)C1 451946417 LIZAFGOQVUUGSK-NSHDSACASA-N 259.340 3.530 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)Cc1ccc(Cl)cc1 452773148 HODCWKHQWBEZLA-GFCCVEGCSA-N 279.811 3.847 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1csc(Cl)c1 453379354 ZBLKHIADEGZPAI-JLLWLGSASA-N 271.813 3.786 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C(C)C)nc2C)c1 456933344 BMBALIYPPYJBPN-UHFFFAOYSA-N 293.370 3.946 30 20 CHED C[C@@H](C(=O)NCC(C)(C)CC#N)c1ccc2ccccc2c1 457991871 JXFDKCDJQNQCGL-CQSZACIVSA-N 294.398 3.999 30 20 CHED C=CCOc1cccc(CN[C@H]2CCC[C@@H]3C[C@H]23)c1 459774473 UEWHWUXPISTYGG-PVAVHDDUSA-N 257.377 3.530 30 20 CHED C=CCN(CC=C)C(=O)NCC1(CC)CCCCC1 460209003 FFNHCPJLPNCUHO-UHFFFAOYSA-N 264.413 3.731 30 20 CHED C=C(C)Cn1c(N2C[C@@H](C)CC[C@@H]2C)nnc1C(C)(C)C 460579123 UILYGCZBKGQLIU-KBPBESRZSA-N 290.455 3.777 30 20 CHED C[C@@H](C(=O)N1CCC[C@H](C(C)(C)C)C1)c1cccc(C#N)c1 462330493 DDASBLZDSFOMDH-PBHICJAKSA-N 298.430 3.946 30 20 CHED C[C@H](CC1CCCC1)C(=O)N[C@@](C)(C#N)C(C)(C)C 464171689 WEJPBWCMOMYQIQ-WBMJQRKESA-N 264.413 3.647 30 20 CHED CCCCc1ccc(CC(=O)N[C@@H](C#N)C(C)(C)C)cc1 464710835 LFKPIFYUSXFBPJ-INIZCTEOSA-N 286.419 3.626 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(Cl)c1OC(C)C 465247966 DIVWOFAFQFBBEQ-SNVBAGLBSA-N 282.771 3.823 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H](C)[C@@H]1CCC 466380345 MYJZHQBDGCBXQP-KKUMJFAQSA-N 266.429 3.951 30 20 CHED C=CCCN(C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 467287211 FUEPUXCXGIBDEC-ZDUSSCGKSA-N 294.826 3.792 30 20 CHED C=CCCCCNC(=O)N(Cc1ccc(F)cc1)C1CC1 474088212 IRQQWZZGBLKCFV-UHFFFAOYSA-N 290.382 3.856 30 20 CHED CC1(C)[C@@H]2CN(c3cc(C#N)ccc3C(F)(F)F)C[C@H]21 475507373 JIAXMSGMZAAZNC-VXGBXAGGSA-N 280.293 3.669 30 20 CHED CC[C@H](Sc1ccc(C#N)cc1F)C(=O)OC(C)(C)C 478730893 NTDOWXLPYAFDNC-LBPRGKRZSA-N 295.379 3.910 30 20 CHED Cc1nc(N2C[C@H](c3ccccc3)C(C)(C)C2)ccc1C#N 487762300 YZCPSXMJYCIFQB-QGZVFWFLSA-N 291.398 3.892 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 488819684 HMNVLWNZRXNXSF-ZDUSSCGKSA-N 283.293 3.886 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1C 488822344 WSIMDGANJDSURL-CYBMUJFWSA-N 263.768 3.829 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(-n2cccc2)c1 488863847 YCDJGHAXCPLTIZ-INIZCTEOSA-N 280.371 3.658 30 20 CHED C=C[C@@H]1CCCCN1C[C@H]1CCC2(CCCCC2)O1 489451632 UNWLEZMECNWIIO-HZPDHXFCSA-N 263.425 3.909 30 20 CHED Cc1ccc(F)cc1CNc1cccc(C#N)c1C 500798192 YMPNMTDXQUGQGO-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=C(C)CCSc1ncnc2c1cnn2-c1ccccc1 505479115 DSORQOJCXSUSFI-UHFFFAOYSA-N 296.399 3.874 30 20 CHED N#Cc1cccn(Cc2ccc(C3CCCCC3)cc2)c1=O 505701057 UMDVBJGKTGSJJW-UHFFFAOYSA-N 292.382 3.816 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCC[C@H](OC)C2)CCCC1(C)C 508071382 AFEPAWYEIWYSFQ-JYJNAYRXSA-N 293.451 3.785 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC(C)(C)CC1 508940458 YHNKVHUWUWMZOJ-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED C=C(C)CCOc1ccc(C(=O)OC)cc1Br 519555149 JZBUKIDIWSQOSG-UHFFFAOYSA-N 299.164 3.581 30 20 CHED C=CCOc1cccc(CNCCc2cccc(C)c2)c1 520956888 MBTAOLJELGDXKE-UHFFFAOYSA-N 281.399 3.892 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)N(C)c1cccc(C#N)c1 528199839 XISBITDGGCSOLG-HNNXBMFYSA-N 292.382 3.708 30 20 CHED C[C@]1(C(=O)[C@H](C#N)c2nc3ccccc3o2)C[C@H]2CC[C@H]1C2 528929389 QSLUZWFEALFXPN-RSLFNQERSA-N 294.354 3.830 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C2(C#N)CC(C)C2)C1 531821789 VXDKCZIKWPWBMS-VTLRXDCVSA-N 296.414 3.639 30 20 CHED C=C[C@@H](CC(=O)N(C)CC(C)(C)C)c1ccccc1 534615290 RBUWAATVNAZYOQ-AWEZNQCLSA-N 259.393 3.851 30 20 CHED N#CCc1ccc(C(=O)Nc2cccc3ccncc23)cc1 534726843 UYSYUTJNDFULOB-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cccc(C#N)c1C 536405067 HGPODDBCDOKBSG-LBPRGKRZSA-N 258.365 3.878 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(CC)s1 538288720 MGYBGXFMJNMTKT-LBPRGKRZSA-N 280.437 3.855 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC1(c2ccc3c(c2)OCO3)CC1 538552639 UZRQAAKNJGPTBZ-CHWSQXEVSA-N 273.376 3.595 30 20 CHED C=CCCC[C@H](C)NC(=O)CCOc1ccc(Cl)cc1 540532943 URTIAQYZXXVYHJ-ZDUSSCGKSA-N 295.810 3.970 30 20 CHED CC(C)c1ccc(CNC(=O)N2CCC(CC#N)CC2)cc1 541915947 HIUNLURTJITCHC-UHFFFAOYSA-N 299.418 3.645 30 20 CHED CS[C@H](CNCc1ccc(C#N)cc1F)C(C)(C)C 543237054 NQBSFFCCBRBOOF-CQSZACIVSA-N 280.412 3.565 30 20 CHED CCCOc1cccc(-c2noc(C3(C#N)CCCC3)n2)c1 545666752 ONDDJQFOHFWEQH-UHFFFAOYSA-N 297.358 3.861 30 20 CHED Cc1cccc(-c2noc(CCc3ccc(C#N)cc3)n2)c1 546937246 AISJDCQMZGATGU-UHFFFAOYSA-N 289.338 3.702 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(C1CC1)C1(C#N)CCC1 551284786 NNBSLUQCDACTLF-ZFWWWQNUSA-N 274.408 3.640 30 20 CHED C=C(C)CCc1noc(Cc2ccc(-n3cccc3)cc2)n1 552047051 YBKDQLBPIKHTGM-UHFFFAOYSA-N 293.370 3.960 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 555272467 LJVVYZMEZRCHNS-CQSZACIVSA-N 288.439 3.604 30 20 CHED C=CCC[C@H](NCc1ncccc1F)c1ccco1 556880435 YJNWCPDZYFAZIB-ZDUSSCGKSA-N 260.312 3.611 30 20 CHED Cc1ccc(C[C@@H]2CCCN(C[C@H](C#N)CCC#N)C2)cc1 557704112 IVUBMIAXBNLHSQ-OALUTQOASA-N 295.430 3.693 30 20 CHED CC#CCCCc1nc(-c2cc(C)cc(F)c2)no1 564220738 MQMNVSLKPOXNNQ-UHFFFAOYSA-N 258.296 3.530 30 20 CHED N#CCCN[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 565652702 AAOQXOJTFWLLOH-ZFWWWQNUSA-N 262.784 3.869 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1cccc(C(=O)O)c1 567977859 OMQJJEFCHMYBSY-UHFFFAOYSA-N 295.338 3.905 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cscc1-c1ccccc1 568823470 DNPCWBZTMPGNGE-ZDUSSCGKSA-N 284.384 3.837 30 20 CHED CCC(O)(CC)C(C)(C)CN[C@@H](C)c1cccc(C#N)c1 569624211 WRQJZQYPZWNNAA-AWEZNQCLSA-N 288.435 3.786 30 20 CHED C=CCn1c(CC)nnc1N1CCC[C@H](C(C)(C)C)CC1 571365663 PJLXKSNSWYZORW-AWEZNQCLSA-N 290.455 3.679 30 20 CHED C=CCOCCN1CCCC[C@@H]1c1ccc(C)cc1 574102752 JFGABNMEFYWCEA-QGZVFWFLSA-N 259.393 3.725 30 20 CHED CCc1ccc(CN2CCCC(C)(C)[C@H]2C#N)s1 575947428 KBJYWWIZFKOAAH-CQSZACIVSA-N 262.422 3.825 30 20 CHED C[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(C#N)cn1 576933122 IHXRGOMIFGSBAW-HNNXBMFYSA-N 291.398 3.754 30 20 CHED C[C@@H]1CCCC[C@H]1CNC1(c2cccc(C#N)c2)CC1 579867496 OOKOMFKTOHCIJY-ZBFHGGJFSA-N 268.404 3.963 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C(C)(C)C)C(F)(F)F 581764712 QDXHSBFZXOXAMY-VHSXEESVSA-N 280.334 3.617 30 20 CHED COc1ccc(C#N)cc1CSCCCCCF 582247379 PKXPPZBMIRRYQL-UHFFFAOYSA-N 267.369 3.940 30 20 CHED CC(C)C(N[C@H]1CCc2ccc(C#N)cc21)C(C)C 589341377 BDGZEJHLAVNYQZ-INIZCTEOSA-N 256.393 3.816 30 20 CHED N#Cc1ccc(SC2CCC(C(F)(F)F)CC2)nn1 590730371 JTABQEMLTUHJCH-UHFFFAOYSA-N 287.310 3.561 30 20 CHED CCCn1ncc(NC(=O)CCCCCC#N)c1C1CC1 590768961 JLEKMOZRLTZUPZ-UHFFFAOYSA-N 288.395 3.583 30 20 CHED CC[C@H](C#N)C(=O)NC1(c2ccc(Cl)cc2)CCCC1 593444807 BFVHFVWAPVJDQZ-GFCCVEGCSA-N 290.794 3.775 30 20 CHED CC(C)(C#N)c1ccc(CNCC2(C(F)F)CC2)cc1 594525612 WTCFFICUGKWGEC-UHFFFAOYSA-N 278.346 3.623 30 20 CHED CCN(Cc1cc(C)nc(C)n1)[C@H](C)c1ccc(C#N)cc1 595295408 LTMPRCZLAYWADC-CQSZACIVSA-N 294.402 3.548 30 20 CHED CO[C@H](CN1CCC[C@@H](CC#N)C1)c1ccc(Cl)cc1 595622889 FJIZICUHSOVFNK-XJKSGUPXSA-N 292.810 3.653 30 20 CHED CCN(C[C@H](C)C#N)c1ncnc2ccc(C(C)C)cc12 596150635 DJSRXZXXINEDCB-CYBMUJFWSA-N 282.391 3.739 30 20 CHED CN(C)Cc1ccccc1NC(=O)CC1(C#N)CCCCC1 596786489 XQZSMEBKHHDPDQ-UHFFFAOYSA-N 299.418 3.551 30 20 CHED C[C@@H](CCC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597908957 YHSRIYSUCVCGOI-HOTGVXAUSA-N 284.403 3.723 30 20 CHED Cc1ccccc1[C@@H]1CCCN1Cc1cccc(C#N)n1 602440522 QFNOLOKRDDQGAO-SFHVURJKSA-N 277.371 3.599 30 20 CHED C[C@@H](CCC#N)CNCCCc1c[nH]c2ccccc12 602537356 DTSUAZSYRMDGBZ-AWEZNQCLSA-N 269.392 3.630 30 20 CHED C[C@H](CCC#N)CN[C@H]1CC[C@H](Cc2ccccc2)C1 602631542 YSKFODYGVYBSKT-NXHRZFHOSA-N 270.420 3.927 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccnc1Oc1ccccc1 604905427 UDKWPFZCDLIBNN-CYBMUJFWSA-N 297.358 3.960 30 20 CHED Cc1cc(C)c(NC(=O)N(C)C[C@@H](C)C#N)c(Cl)c1 609147453 KFCBPZXMDZESKP-JTQLQIEISA-N 279.771 3.580 30 20 CHED CC[C@@H]1CCCCN1C(=O)c1cc2ccccc2n1CC#N 609159732 SPICFNWVUHPERA-OAHLLOKOSA-N 295.386 3.570 30 20 CHED N#Cc1ccc(N2CCCc3sccc3C2)cc1 609333715 FBZJEHJMTWAEHL-UHFFFAOYSA-N 254.358 3.573 30 20 CHED Cc1ccc(C)c(Sc2ncc([N+](=O)[O-])cc2C#N)c1 610292024 FNVHDAHKGOATFN-UHFFFAOYSA-N 285.328 3.630 30 20 CHED Cc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)c(C)s1 610502065 NTRRAMIJHWMMNK-AWEZNQCLSA-N 276.405 3.567 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ncc(-c3cccs3)o2)C1 612159495 BZOYKMZPIVNDCZ-HNNXBMFYSA-N 287.388 3.529 30 20 CHED C[C@]1(C#N)CCCN(CCCc2ccc(Cl)cc2)C1 612167166 VGMSNRUNDQJLKT-MRXNPFEDSA-N 276.811 3.898 30 20 CHED C[C@@H]1C[C@H](CC(=O)N2CCC[C@@](C)(C#N)C2)CC(C)(C)C1 612242364 NPOGSCSPPSKTDB-RKVPGOIHSA-N 290.451 3.991 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 614509711 RCLMZPDUNDKJEU-IAGOWNOFSA-N 284.403 3.791 30 20 CHED CC(C)c1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 614800186 NUGVMLQMUKRIIZ-AWEZNQCLSA-N 279.387 3.927 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(-c2cnco2)c1 615285706 IASFUPRZNOWMKC-UHFFFAOYSA-N 284.359 3.674 30 20 CHED CC[C@@H](c1ccc(Cl)cc1)N1CC[C@@](F)(C#N)C1 615642521 BRZBCWUHOBQCKA-UONOGXRCSA-N 266.747 3.729 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccs1 618807345 YFPNGCAZHMVBSK-IAQYHMDHSA-N 268.385 3.958 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc2occc2c1)OCC 628961027 VUWRUTXSLYOBJW-OAHLLOKOSA-N 273.332 3.743 30 20 CHED C=CCn1c(SC2CC(C)(C)C2)nnc1C1CC1 631003362 LGRZUNRTQWDFBX-UHFFFAOYSA-N 263.410 3.622 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 641986409 IUDPFTMQXXBDSG-CJNGLKHVSA-N 273.376 3.560 30 20 CHED C=CC[C@H](Cc1ccccc1)n1cc(/C=C/C)nn1 656457461 NIQHKKDMKJKQEC-ILNGBFOMSA-N 253.349 3.671 30 20 CHED C=CCC[C@H](N[C@@H]1CCN(C(C)(C)C)C1)c1ccco1 658095477 HRDGWSAWZQMLPP-CABCVRRESA-N 276.424 3.749 30 20 CHED C=C(CNC(=O)COc1ccc(C)cc1C)c1ccccc1 672482220 YAIZFDKVSXUWJX-UHFFFAOYSA-N 295.382 3.512 30 20 CHED C=C(Cl)CNCc1ccsc1C(F)(F)F 704311013 SUSIKADGCGRSGC-UHFFFAOYSA-N 255.692 3.609 30 20 CHED COc1cccc(NN=C(C)c2cc(F)ccc2F)c1 725854617 ARGYSLUSCOWWAH-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1ccc(N)cc1 726428563 DMFPOTWGZHZVCT-UHFFFAOYSA-N 291.301 3.706 30 20 CHED Fc1cccc(C=NOCc2cc(-c3ccco3)on2)c1 727470689 XJPDPVPXUAYAAG-UHFFFAOYSA-N 286.262 3.624 30 20 CHED C[C@H](C#N)Oc1ccc(C=NNc2cccc(F)c2)cc1 727684912 QWLOGOKBQWXEII-GFCCVEGCSA-N 283.306 3.563 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)nc1 728811385 WDWHBXYFKZPPPW-LBPRGKRZSA-N 298.773 3.550 30 20 CHED C#Cc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)nc1 728812111 PCHCFLOSIQOCFS-QGZVFWFLSA-N 292.382 3.580 30 20 CHED CCCCCCC(=O)N(CCC#N)CCC(C)C 728871267 MAWKCHVXCWQVTN-UHFFFAOYSA-N 252.402 3.745 30 20 CHED C=C(Cl)COC(=O)C(C)(C)c1ccccc1Cl 729008663 ABVIPEDPJJFTBP-UHFFFAOYSA-N 273.159 3.913 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)c(C)c1)CO2 729151558 XXUPPZMOMZWEHR-JYRVWZFOSA-N 298.313 3.801 30 20 CHED CCc1ccc(/C=C2\Cc3c(O)cccc3C2=O)s1 731156268 CKQFTVIOYGPLSP-CSKARUKUSA-N 270.353 3.839 30 20 CHED C=C(C)COC(=O)C1(c2cccc(OC)c2)CCCC1 731260330 LJYNIELJXJMZFZ-UHFFFAOYSA-N 274.360 3.626 30 20 CHED C#CCCOc1ccc(CN[C@H]2CC[C@H](C)CC2)cc1 733328681 XUHAWYPIMXPDAB-JCNLHEQBSA-N 271.404 3.757 30 20 CHED Fc1ccc2c(c1)CCC2=NN=c1cc[nH]c2ccccc12 734299253 LFGJNVOHMPHXMD-UHFFFAOYSA-N 291.329 3.558 30 20 CHED Cc1ccc(C[C@H](C)/N=C/c2cccc(O)c2O)s1 737441200 YZNIPIKMJMSFBW-JSJZUPIVSA-N 275.373 3.518 30 20 CHED CCCCCCCC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 741644453 DBAPZCGSUUUJSM-IMJJTQAJSA-N 281.440 3.667 30 20 CHED Cc1ccc(/C=C2\CCc3c(O)cccc3C2=O)cc1 742435725 XPEOMKZCKRXADM-SDNWHVSQSA-N 264.324 3.913 30 20 CHED CCCCCCCC(=O)NCC[C@H](O)c1ccccc1 742827011 UJCNOTCEWXEFSZ-INIZCTEOSA-N 277.408 3.587 30 20 CHED C#CCCCNC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 743692699 WEDCFZBFFNGIGD-ROUUACIJSA-N 298.430 3.501 30 20 CHED C=C(C)CCOC(=O)CCc1cc(Cl)cs1 744300221 STWOOZPWDNYXCP-UHFFFAOYSA-N 258.770 3.844 30 20 CHED C=C(Cl)COC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 745719507 HZEIJKROJHJAJZ-GOEBONIOSA-N 276.763 3.576 30 20 CHED CC(=NNc1ccccc1C(=O)O)[C@H](C)c1ccccc1 746368552 LFUOFLHTSSFTHN-LBPRGKRZSA-N 282.343 3.976 30 20 CHED C=CCN(C(=O)c1cc2cccc(C)c2o1)C(C)C 747123918 MHJKFKGPVZEKGK-UHFFFAOYSA-N 257.333 3.778 30 20 CHED COCCON=Cc1ccc(-c2ccccc2Cl)o1 748789702 NWQSVQCKCBARRP-UHFFFAOYSA-N 279.723 3.597 30 20 CHED O=C(/C=C/c1cccc2c1OCCCO2)c1ccsc1 749104565 MZYNISULNRFEMI-AATRIKPKSA-N 286.352 3.806 30 20 CHED CCCCCCCNc1ccc(CNC(=O)OC)cc1 749273026 OXIYCVNLGGGQGZ-UHFFFAOYSA-N 278.396 3.925 30 20 CHED C=CCCC(CC)=NNC(=S)NCc1ccc(F)cc1 750932513 OCAADLBNBPXTQC-UHFFFAOYSA-N 293.411 3.522 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1ncccc1Cl 751130173 FGMGLZIVVLEASC-JTQLQIEISA-N 271.751 3.743 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1csc2ccccc12 754735670 JGVVGOOHWWANDH-OLZOCXBDSA-N 275.417 3.879 30 20 CHED CCCCCCCCNC(=O)N[C@@H](C)Cc1ccncc1 754867721 ZKWBJVGCLCHCEU-HNNXBMFYSA-N 291.439 3.672 30 20 CHED C#CC[C@@H](NC(=O)N1CCCC[C@@H]1CC)c1ccccc1 757768943 RUWTZJIUVRGJBI-DLBZAZTESA-N 284.403 3.725 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)Cc2ccccc21 758116874 BVVNIPGMFTWVLP-CQSZACIVSA-N 290.366 3.512 30 20 CHED CC(=NN=C[C@H](C)CC1CCCCC1)c1cnccn1 758124557 NSOVABDQUBOWPM-CYBMUJFWSA-N 272.396 3.878 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(Cl)ccn1 758530080 KPRSPSVARRTGEN-UHFFFAOYSA-N 265.740 3.547 30 20 CHED C#CCCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 760821597 VKVRFYVBLGGHSQ-NSHDSACASA-N 255.283 3.722 30 20 CHED CO[C@@H](C)C(C)=NNc1ccccc1C(F)(F)F 763104818 GGITZXBIECKFCD-VIFPVBQESA-N 260.259 3.528 30 20 CHED N#Cc1ccc(-c2ccn(C/C(Cl)=C\Cl)n2)cc1 763187541 CNJUIJKGFGHJAW-KPKJPENVSA-N 278.142 3.741 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccnn1C 766012224 UUATYZPWYNQBCA-UHFFFAOYSA-N 283.162 3.563 30 20 CHED CC(C)[C@H]1CC(=NOC2CCOCC2)c2ccccc21 766478523 QXPBLOOMRXIHFZ-MRXNPFEDSA-N 273.376 3.730 30 20 CHED Cc1cc(/C=C2/Cc3c(F)ccc(F)c3C2=O)ccc1C#N 766491789 QWTXNIYKWRAOCN-QPEQYQDCSA-N 295.288 3.967 30 20 CHED Cc1cc(CNCc2c(C)cccc2C)ccc1C#N 767692070 VNVUFOSTPMMSNR-UHFFFAOYSA-N 264.372 3.773 30 20 CHED C#C[C@@H](CC)OC(=O)c1cnc(-c2ccc(C)cc2C)s1 768046684 GPDAJEDXPZGDSU-ZDUSSCGKSA-N 299.395 3.996 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C[C@@H]1CCC[C@@H](C)C1 768366240 ZZEKNGMHQKQSGA-VXGBXAGGSA-N 291.351 3.827 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ccc(F)c([N+](=O)[O-])c2)C1 769829020 NYMOSFJZYKBION-WDEREUQCSA-N 279.315 3.958 30 20 CHED C#CCCCCCC(=O)Nc1cc(F)cc(Cl)c1O 771515109 YWDZBRZNPFMNIT-UHFFFAOYSA-N 283.730 3.707 30 20 CHED C=CCN(Cn1c(=S)oc2ccccc21)C1CC1 771640707 QSJCOFIQFJZTFZ-UHFFFAOYSA-N 260.362 3.572 30 20 CHED CC(C)c1nccnc1NN=Cc1cc2cc(F)ccc2o1 773091124 NQDGHJLGUXRNKY-UHFFFAOYSA-N 298.321 3.931 30 20 CHED CC(=NNc1nccnc1C(C)C)c1sc(C)nc1C 773091575 SULGSDIZMAWUNS-UHFFFAOYSA-N 289.408 3.509 30 20 CHED O=C1/C(=C\c2nccc3ccccc23)Oc2cc(F)ccc21 773172499 NYNFALKJTXAZAY-LICLKQGHSA-N 291.281 3.990 30 20 CHED C=C(Cl)CN1CCC(CCN(CC)CC(C)C)CC1 773737414 SPFKACUXLNHTJI-UHFFFAOYSA-N 286.891 3.819 30 20 CHED CCO[C@@H]1CC(=NOC2CCCC2)C12CCCC2 774601308 BOOHHWSUVOBKKT-CQSZACIVSA-N 251.370 3.671 30 20 CHED CCCCCCCC[C@@H](C)Cc1nc(-c2nc[nH]n2)no1 774626908 NMXPNSRNMLFFNU-GFCCVEGCSA-N 291.399 3.784 30 20 CHED C#C[C@H](C)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F 775387684 GQMUSNQHBNWTKC-ZDUSSCGKSA-N 281.330 3.553 30 20 CHED COc1ccc(CCCC(=O)OCCC(C)(C)C#N)cc1 776383144 LZUYYZFTSHMEMH-UHFFFAOYSA-N 289.375 3.501 30 20 CHED C=CCSc1ccccc1C(=O)N1CCS[C@H](C)C1 777139404 XHPLRCIMXRLYEC-GFCCVEGCSA-N 293.457 3.542 30 20 CHED CCOC(=O)Nc1ccc(NC[C@@H]2CC=CCC2)cc1C#N 779599185 LMKAEKSZXQHFCM-CYBMUJFWSA-N 299.374 3.895 30 20 CHED C=CCC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1 780252041 YJTNXBXQGWORBT-OAHLLOKOSA-N 290.382 3.653 30 20 CHED C#CCCCCCC(=O)OCC#Cc1ccc(Cl)cc1 780256377 HIQCHDWSKJZLEI-UHFFFAOYSA-N 288.774 3.818 30 20 CHED CCCCO[C@@H]1CC(=NNc2ccnc(F)c2)C1(C)C 781129823 LQXJJDADMLOPQI-CYBMUJFWSA-N 279.359 3.604 30 20 CHED C[C@@H](OC(=O)c1ccc2ncoc2c1)c1ccc(C#N)cc1 783399138 CIZLBBQYCFLNJZ-LLVKDONJSA-N 292.294 3.617 30 20 CHED CC(C)c1ccc([C@H](C)OC(=O)c2ccc(C#N)[nH]2)cc1 783456988 WUWQXPJNOKQOOJ-LBPRGKRZSA-N 282.343 3.928 30 20 CHED CCCCCCC(=O)COc1ccc(C#N)c(F)c1 783987164 YSNLOUVEOJLKFZ-UHFFFAOYSA-N 263.312 3.616 30 20 CHED CCCCCC[C@@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 784174382 NQSJPLIIBDAICN-GDBMZVCRSA-N 279.428 3.681 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NNC1CCCCC1 786042927 CZBPNOSAZWGNPB-UHFFFAOYSA-N 284.407 3.794 30 20 CHED COc1ccc2oc(/C=C/C(=O)c3cncs3)cc2c1 787173034 WDECXMUJCTZERK-DUXPYHPUSA-N 285.324 3.794 30 20 CHED C#CCC1(C(=O)N2CCc3c(F)cccc32)CCCCC1 788242579 PTJROKRNPRHSFU-UHFFFAOYSA-N 285.362 3.689 30 20 CHED CCCCCCCCCN(C)C(=O)c1cccc(O)c1O 790566131 AGKDKMRHXJHSAQ-UHFFFAOYSA-N 293.407 3.920 30 20 CHED C#CCCCCC(=O)NCc1ccc(-c2ccco2)cc1F 790573727 ZBUPIWSRTSDWCF-UHFFFAOYSA-N 299.345 3.896 30 20 CHED CC[C@H](C)CN(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790625299 SCWVTOSOVKYEBO-LBPRGKRZSA-N 297.320 3.561 30 20 CHED COc1cccc2cc(C=NN[C@H](C)C(C)(C)C)oc12 793114228 FIRYRLKMFMSZIA-LLVKDONJSA-N 274.364 3.800 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H](O)c1ccc(C)o1 793537476 XDDRDFKKPIFCKE-DZGCQCFKSA-N 265.397 3.736 30 20 CHED Fc1ccc(/C=C/C=NNc2ccc3[nH]ncc3c2)cc1F 794928269 USJVJXAJLJSIDE-NJTQYUCVSA-N 298.296 3.952 30 20 CHED COc1ccccc1CON=C(C)c1ccc2n[nH]cc2c1 794938685 SXXPPKPDDBCUDL-UHFFFAOYSA-N 295.342 3.512 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1ccc2c(c1)CCC2 796454166 AAUSQGNMPLJVHW-UHFFFAOYSA-N 286.371 3.504 30 20 CHED CC(C)(C(=O)OC1CCCCC1)c1cc(F)cc(C#N)c1 796741254 BXWNZFFMQAQEJC-UHFFFAOYSA-N 289.350 3.851 30 20 CHED C[C@H]1CC[C@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)C1 796823347 XKFHAYCKXYGHJF-WFASDCNBSA-N 271.360 3.833 30 20 CHED Cc1ccnc2ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc12 797270191 SSMGHGJXDDXKAI-HNNXBMFYSA-N 282.343 3.638 30 20 CHED COc1ccccc1CON=C(C)c1ccccc1F 799118624 NUFKPCGDPAFWHS-UHFFFAOYSA-N 273.307 3.775 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(C(=O)O)cs2)oc1C 799896341 HXYIPRHMZBKDRX-ONEGZZNKSA-N 276.313 3.552 30 20 CHED C=C(Br)CN[C@H]1CCC[C@H](c2cccnc2)C1 800231504 BEHDVTLZNRPIFT-JSGCOSHPSA-N 295.224 3.606 30 20 CHED C#CCCCN(CCC)[C@@H](C)CC(=O)Nc1ccccc1 800466417 AAFMZFVQPLFLFZ-INIZCTEOSA-N 286.419 3.529 30 20 CHED CSC1(C=NNc2ccc(Cl)cc2[N+](=O)[O-])CCC1 800809751 AICQWNQZQVIZAW-UHFFFAOYSA-N 299.783 3.932 30 20 CHED C[C@H]1CC[C@H](C=NNc2ncccc2C(F)(F)F)C1 800809987 DCGGJNISYSOBQF-UWVGGRQHSA-N 271.286 3.934 30 20 CHED N#CCCCCCC(=O)O[C@H]1CCOc2cc(F)ccc21 805917842 ALPVHHLXXPSQKV-AWEZNQCLSA-N 291.322 3.667 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1c(C)cccc1SC 806430835 CEZQPANBSPZWDT-GFCCVEGCSA-N 276.405 3.640 30 20 CHED CC(C)CON=C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 807978850 FKQRYLASVVJZDW-UONOGXRCSA-N 298.427 3.680 30 20 CHED C#Cc1ccc(CNC[C@@H](OC)c2ccc(Cl)cc2)cc1 809624954 VLJTWBZPSPXQSD-GOSISDBHSA-N 299.801 3.799 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)C1(F)CCCCC1 810661224 HFAOKVBZKKVJMQ-UHFFFAOYSA-N 295.741 3.927 30 20 CHED CCCOc1cc(C=NOC/C=C/Cl)ccc1OC 811671846 LBMBKXQRNSWLKL-IJMVIOGMSA-N 283.755 3.587 30 20 CHED COc1ccc(C=NOC2CCC2)c2ccccc12 812235323 RYRNEUIPAKXIKA-UHFFFAOYSA-N 255.317 3.751 30 20 CHED C#CCON=C(C)CC(C)(C)c1c[nH]c2ccccc12 812236299 KVDBUYWFCGWNCM-UHFFFAOYSA-N 268.360 3.861 30 20 CHED Cc1ccc(-c2nc(C=NOCC3CC3)cs2)cc1 814243485 YULTVSZEBQAELO-UHFFFAOYSA-N 272.373 3.879 30 20 CHED CC(=NNc1ncccc1Cl)[C@@H](C)CCCCC(=O)O 814810674 SJNUOAJALDPRAG-JTQLQIEISA-N 297.786 3.804 30 20 CHED CO[C@@](C)(C=NOc1ccccc1C(F)(F)F)C1CC1 814887703 KWNUJQFKLQVLCY-ZDUSSCGKSA-N 287.281 3.885 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(-c2coc(C)n2)cc1 814888758 OKSVQTZQRNUQSA-UHFFFAOYSA-N 292.285 3.800 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2cccc3cc[nH]c23)c1 814890868 DCTZJJXYRGQGTL-UHFFFAOYSA-N 295.733 3.534 30 20 CHED CSc1ccc(C=NNC2CCCCC2)s1 814910171 SHIXZWMVHZQQQB-UHFFFAOYSA-N 254.424 3.726 30 20 CHED CCOc1ccc(NN=Cc2cccc(F)c2)cc1 814984451 OLWWXCPQMBCVBJ-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(Cl)cc1OC)OCC 817483665 SZGDKYROUKQZJG-ZDUSSCGKSA-N 298.766 3.625 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1csc(C(C)C)n1 819816830 PVUNCENAZHMLAC-LLVKDONJSA-N 288.420 3.736 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2nc(Cl)sc2c1 823845530 JZOMRCWZOPRQAX-UHFFFAOYSA-N 292.791 3.938 30 20 CHED CC(C)C#CC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 826749487 UNEQMPXWFPKJGX-CYBMUJFWSA-N 298.411 3.647 30 20 CHED CC(C)C#CC(=O)Nc1cccc(N2CCC(C)CC2)c1 828431552 QWMYFPXMCRZHMO-UHFFFAOYSA-N 284.403 3.521 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccsc1C(=O)O 828859223 UNEWKCLOPMIRGZ-UHFFFAOYSA-N 294.420 3.598 30 20 CHED Cc1cccc(C)c1CNC(=O)CC1(C#N)CCCCC1 830417492 IXMNBNYKFQANCH-UHFFFAOYSA-N 284.403 3.784 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1cccc(NC(=O)O)c1 833373927 JNXVAVCETCVMLR-LLVKDONJSA-N 277.320 3.678 30 20 CHED C=CCCCCC(C)=NNc1cncc(Cl)n1 834938310 GUAZXLRSOBGIQC-UHFFFAOYSA-N 252.749 3.664 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)c1ccn(C)n1 838245702 BBMIBDYMESEJCT-CQSZACIVSA-N 279.428 3.738 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1cccc(C)n1 838528009 XNCLCAQTTDGMJK-UHFFFAOYSA-N 291.439 3.892 30 20 CHED Cc1scc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1C 839055575 OBBJBDDLRDIJHK-RYUDHWBXSA-N 263.362 3.604 30 20 CHED C[C@H]1CCc2sc(NC(=O)C(C)(C)F)c(C#N)c2[C@@H]1C 839390058 CHYIXZVTHHCGTF-DTWKUNHWSA-N 294.395 3.992 30 20 CHED CCCCCCO[C@H](C)C(=O)Nc1cc(C#N)ccc1C 839603340 CSDKSBSHWYSMHW-CQSZACIVSA-N 288.391 3.791 30 20 CHED Oc1ccc(Cl)cc1/C=N/C[C@@H]1CCOC2(CCC2)C1 840708158 USEFJKXWBWSDFA-MBNTZHJCSA-N 293.794 3.814 30 20 CHED C[C@@H]1C[C@@H](/N=C\c2c(O)ccc3ccccc23)CS1 840712018 UXUXHLPNBOZAJN-BEIJXFAXSA-N 271.385 3.858 30 20 CHED CN(CC(C)(C)C#N)C(=S)Nc1ccc(Cl)cc1 840748236 CBBRPIKXBDMJQK-UHFFFAOYSA-N 281.812 3.518 30 20 CHED Cc1cc(C)c([C@@H](C)NCC(C)(C)CC#N)c(O)c1 840787359 LBIHUYTYRVTXRE-CYBMUJFWSA-N 260.381 3.600 30 20 CHED Cc1cc(COC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cs1 841233960 CSEKXYKQMFJRIN-JKSUJKDBSA-N 297.379 3.775 30 20 CHED C=CC[C@@H](OC(=O)CC1(COC)CC1)c1ccccc1 842765092 DMJMHMCMZDLEDR-OAHLLOKOSA-N 274.360 3.664 30 20 CHED C=CC[C@@H](C(=O)OCCc1cccc(C)n1)c1ccccc1 842841425 WVRPTEKXDFIEIF-GOSISDBHSA-N 295.382 3.836 30 20 CHED Cc1sc(NC(=O)/C=C/C2CCCC2)c(C#N)c1C 843517727 QMHQSKPYVCTQIU-BQYQJAHWSA-N 274.389 3.922 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@H](OC(C)C)C1 845196199 NXGCCNYWIXISGQ-INIZCTEOSA-N 296.455 3.722 30 20 CHED N#CC1(CC(=O)Oc2ccc3c(c2)CCCO3)CCCCC1 851032765 XFBVZERCVHODFD-UHFFFAOYSA-N 299.370 3.781 30 20 CHED CC(C)c1[nH]ccc1C(=O)O[C@H](C)CC(C)(C)C#N 851206326 QNMZDJFFBOYTGP-LLVKDONJSA-N 262.353 3.623 30 20 CHED C=C[C@H](OC(=O)[C@@H](C)C(F)(F)F)c1ccccc1 851452413 RYDSRHFVVOXRJU-KOLCDFICSA-N 258.239 3.655 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCN(C(C)(C)C)C1 855159839 IIJYCEYXCDJIAP-OAHLLOKOSA-N 282.472 3.584 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C/SCc2ccco2)C1 855438557 KLRSNAXRZVPBMK-ZHZWZMEUSA-N 291.416 3.841 30 20 CHED CCCCCCCNC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C 862356937 IXKUPEPAJCAGKT-UONOGXRCSA-N 281.440 3.714 30 20 CHED COCc1csc(/C=C2\CCc3scnc3C2=O)c1 863197468 CIMUICWYXUQKAS-BJMVGYQFSA-N 291.397 3.564 30 20 CHED CCc1ccc(CNc2ccc(C#N)cc2C(C)=O)cc1 864014930 WJKWGQMVQHQNIJ-UHFFFAOYSA-N 278.355 3.935 30 20 CHED CC(C)n1cc(/C=C2\CCc3c(F)cccc3C2=O)cn1 865227428 PXGSAYGTBGFAID-MDWZMJQESA-N 284.334 3.816 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1c(F)cccc1F 876951035 ZDFOWYXWZSUFRT-QWRGUYRKSA-N 252.308 3.555 30 20 CHED C=C(Br)CN1CCC2(CCSCC2)CC1 879199079 QZZPHKMXSAZMMV-UHFFFAOYSA-N 290.270 3.504 30 20 CHED CC(C)c1ccc(C=NO[C@@H](C)c2ncccn2)cc1 882947018 HDUYQTDECSONAW-ZDUSSCGKSA-N 269.348 3.712 30 20 CHED C=CCCC[C@H](NCc1cocn1)c1ccccc1 883212045 ZWDHHASFEXIFME-INIZCTEOSA-N 256.349 3.862 30 20 CHED C=C1CC(c2noc(C3(Cc4ccccc4)CC3)n2)C1 896883714 SQBHFFNWBHHYIV-UHFFFAOYSA-N 266.344 3.778 30 20 CHED CC(C)/C=C/c1cn(CCCCC2(C#N)CCC2)nn1 900617108 NYIGELXUGCAAPA-VOTSOKGWSA-N 272.396 3.811 30 20 CHED CCSc1ccc(C(=O)/C=C/c2cncn2CC)cc1 901486567 LWTFFALJMUMLLO-JXMROGBWSA-N 286.400 3.911 30 20 CHED C=CCC1(CN[C@@H]2CC[C@@H](CC(=O)O)[C@@H]2C)CCCC1 902267252 GCAKQMJXXNBJKM-SOUVJXGZSA-N 279.424 3.602 30 20 CHED N#CC1(CN[C@H](Cc2ccncc2)c2cccs2)CCC1 903034867 CYELHGMALNWYRL-OAHLLOKOSA-N 297.427 3.710 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](c1ccccc1)c1ncc[nH]1 908397335 BGSNLZPXZXKHOI-INIZCTEOSA-N 297.402 3.560 30 20 CHED Cc1ccccc1C/N=C\c1cc2ccccc2nc1O 912779141 PKUFKTDEUIEVHM-UNOMPAQXSA-N 276.339 3.868 30 20 CHED COc1ccc(O)c(/C=N\C[C@H]2CCCc3ccccc32)c1 912962644 XGAKDOHUZSLYFX-CTFRJJSNSA-N 295.382 3.940 30 20 CHED CCCCCCCC(=O)NCc1ccc(COC)cc1 914741469 NJBCBUOIZJWQBO-UHFFFAOYSA-N 277.408 3.810 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@@H](C)c3ccccc32)c1 915683450 QYFOZUAVSIQFOF-CYBMUJFWSA-N 276.339 3.824 30 20 CHED C[C@H]1CN(Cc2ccccc2C#N)Cc2ccccc21 916152493 SHJNBGHLVPNPDT-AWEZNQCLSA-N 262.356 3.678 30 20 CHED CCc1ccc(C(C)=NNc2cccc(C(=O)O)c2)cc1 916255116 BOXZDGBOIHHZQG-UHFFFAOYSA-N 282.343 3.783 30 20 CHED C/C(C=NNCc1ccccc1)=C\c1ccccc1 916344406 VJUZTSOMEKDHLH-DNWSIMAJSA-N 250.345 3.866 30 20 CHED C[C@H](Cc1ccc(-c2ccccc2)cc1)NCCC#N 917010001 HPYYABUEAFYINC-OAHLLOKOSA-N 264.372 3.788 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cncnc1CC 917871069 ISKDVAHTCDYXMH-AWEZNQCLSA-N 291.439 3.765 30 20 CHED C=CCN(C(=O)N[C@H](CC)c1ccc(OC)cc1)C(C)C 918058231 BUZHJQMXUYAPAK-MRXNPFEDSA-N 290.407 3.752 30 20 CHED CCOc1ccc(/C=N/Cc2ccc(C)cc2)c(O)c1 920943074 POMDCAQKBKLXAD-LDADJPATSA-N 269.344 3.718 30 20 CHED CCOc1ccc(/C=N\CCc2ccc(F)cc2)c(O)c1 920943333 VLKUGIQEVQHHRN-UNOMPAQXSA-N 287.334 3.592 30 20 CHED C[C@@H](COc1cccc(F)c1)N[C@@H](C)CC(C)(C)C#N 924736262 ZDOHZDHINHBEAV-STQMWFEESA-N 278.371 3.511 30 20 CHED CC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1nc(C)cs1 924971394 AEXLXXOETQOUCV-CMPLNLGQSA-N 265.426 3.821 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(OC)ccc1Cl 930716237 JZLJGRGSTNPPEW-SNVBAGLBSA-N 267.756 3.889 30 20 CHED C=C1CCN(C(=O)Nc2ccc3occ(C)c3c2)CC1 930938490 NIGWUYYZSJXPSX-UHFFFAOYSA-N 270.332 3.925 30 20 CHED C[C@H](c1ccccc1Br)N1CCC[C@H](C#N)C1 932158523 KFDLFGSYSDNLFC-VXGBXAGGSA-N 293.208 3.746 30 20 CHED O=C(CC#Cc1ccccc1)NC1CCCCCCC1 1116268327 BWSHXCOSZABSNI-UHFFFAOYSA-N 269.388 3.657 30 20 CHED N#CCCCC(=O)Nc1ccc(SC(F)(F)F)cc1 1117657960 YTVABFOPWMITGJ-UHFFFAOYSA-N 288.294 3.931 30 20 CHED C[C@H]1CC[C@H](c2nnc(-c3ccc(C#N)cc3)o2)CC1 1118430176 NTIIBWRDNVVVJH-AULYBMBSSA-N 267.332 3.902 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccccc1OC)C1CC1 1120349121 OTFOUNWPCAAILW-CQSZACIVSA-N 287.403 3.789 30 20 CHED Cc1cccc2cc(C(=O)[C@@H](C#N)c3cccc(F)n3)oc12 1122632086 PAZZEDVZLWAWCT-LBPRGKRZSA-N 294.285 3.765 30 20 CHED C=CC[C@@H](C(=O)O[C@H](C)CCCOC)c1ccccc1 1123324955 RNTUIBMOXVDAQO-GDBMZVCRSA-N 276.376 3.705 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2csc(C#N)c2)c1 1125260868 KCHMHVQZYRFTBV-UHFFFAOYSA-N 270.357 3.513 30 20 CHED Cc1cccc(CN(C)c2ncc(Cl)c(C)c2C#N)c1 1184958451 OPOPAFGSBOXTOB-UHFFFAOYSA-N 285.778 3.860 30 20 CHED CC(C)C[C@@H](C)C=NNc1ccc(C(C)(C)C)nn1 1256542048 HHSNVPNBFRQZKC-GFCCVEGCSA-N 262.401 3.854 30 20 CHED COc1ccc2cc(C(=O)OCC3(C#N)CCC3)ccc2c1 1261291575 BXAVABVPQAEHBV-UHFFFAOYSA-N 295.338 3.699 30 20 CHED N#C[C@H](OC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C1CC1 1263377250 VJQNPAZFLUPXGL-HJFNVNOESA-N 296.153 3.852 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2F)nc1 1297231119 PYRJHCKWFWIFOH-LLVKDONJSA-N 299.305 3.501 30 20 CHED CC[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(F)cc1 1320320317 GVRRTLXXRSMTLD-KRWDZBQOSA-N 296.345 3.773 30 20 CHED N#Cc1cccc(CSCc2ccc(F)cn2)c1F 1321104428 FAWZWWJROYNQNT-UHFFFAOYSA-N 276.311 3.665 30 20 CHED N#Cc1ccnc(/C=C\c2ccc(Cl)c(F)c2)c1 1321614236 MBNFRHCNCRSUBM-IWQZZHSRSA-N 258.683 3.916 30 20 CHED N#Cc1ccc(CSCc2nnc(C3CCC3)o2)cc1 1322281682 MLKYPCDRFJVMMI-UHFFFAOYSA-N 285.372 3.642 30 20 CHED C#CCN(C(=O)c1ccc2c(c1)oc1ccccc12)C1CC1 1324985960 LMVQEHCDDWBASV-UHFFFAOYSA-N 289.334 3.824 30 20 CHED C=CCC1(C(=O)N(C)[C@@H]2CC[C@H](SC)C2)CCCC1 1326489294 QSAOGUUWPINNGK-KGLIPLIRSA-N 281.465 3.865 30 20 CHED N#CC1(c2nnc(CC3CCCC3)o2)CCCCC1 1326523114 BZEIMDRNZIUWEG-UHFFFAOYSA-N 259.353 3.528 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)s1)c1ccccc1 1326885290 FRJKMASBRJXYFU-UHFFFAOYSA-N 285.368 3.641 30 20 CHED N#Cc1nc(F)ccc1OCC[C@@H]1CCc2ccccc21 1327618682 GMCKNWMCRMUWRI-ZDUSSCGKSA-N 282.318 3.591 30 20 CHED Cc1c(C#N)c(SCc2cccc(F)n2)nc2c1CCC2 1328009779 ZBSXJBLPLOXOGT-UHFFFAOYSA-N 299.374 3.577 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H]1CCCCC1(F)F 1336758597 GRAZAVZFKIPFBW-CHWSQXEVSA-N 271.351 3.769 30 20 CHED C=C(CC(C)C)C(=O)N[C@H]1CCCc2nc(C)sc21 1349414711 VJPVRFBFMMKAQJ-ZDUSSCGKSA-N 278.421 3.547 30 20 CHED CC[C@@H](CC(C)C)C(=O)OCc1cc(C#N)ccc1F 1435412810 NIDXEQQMZORCGV-ZDUSSCGKSA-N 277.339 3.813 30 20 CHED CCc1ccccc1CNC(=O)Nc1cc(C#N)ccc1F 1466788523 JPJMTTDSRLIRLI-UHFFFAOYSA-N 297.333 3.581 30 20 CHED CN(CCc1ccccc1F)[C@H](C#N)c1ccccc1 1473151543 NZWCABFPMJTVMS-QGZVFWFLSA-N 268.335 3.565 30 20 CHED CC(C)c1cccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c1 1516861610 XCVWGOVLXYXYFG-IUODEOHRSA-N 257.333 3.659 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1524157187 NCKPDDXWSQVFEH-RDJZCZTQSA-N 284.403 3.578 30 20 CHED CC1(C)C[C@]1(NC(=O)c1cccc(C#N)c1)c1ccccc1 1530098047 KZIOUDYGSDKMAE-IBGZPJMESA-N 290.366 3.613 30 20 CHED COc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1C#N 1532695693 APLLHAKIYHLPPQ-UHFFFAOYSA-N 292.338 3.697 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)[C@@H](CC#N)c1ccccc1 1587310792 WHJZNBQTDFQWQT-QAPCUYQASA-N 292.382 3.870 30 20 CHED C=CCC[C@@H](Nc1cc(CC(=O)O)ccn1)c1ccccc1 1588778711 JPBCSWAEDIEVNO-MRXNPFEDSA-N 296.370 3.828 30 20 CHED CC(C)(C#N)CCCCSc1ncc(C(=O)O)s1 1589554633 HKSMIUOUNSOKFW-UHFFFAOYSA-N 284.406 3.653 30 20 CHED CC(C)(C)[C@H](Sc1ccc(Cl)cc1C#N)C(=O)O 1589722520 IRCDRODOEVOEHF-LLVKDONJSA-N 283.780 3.803 30 20 CHED N#Cc1c(CSc2ccccc2F)cccc1C(=O)O 1601080386 LSWBADOWNQCJDG-UHFFFAOYSA-N 287.315 3.688 30 20 CHED COc1cc(NC(=O)CC2CCCCC2)c(F)cc1C#N 1623345057 MTSGYBHUIYRBAF-UHFFFAOYSA-N 290.338 3.615 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N(C)[C@@H](C)CC#N 1623580583 JJYMHTWBOGECAH-ZFWWWQNUSA-N 264.413 3.744 30 20 CHED Cc1cc(C)c2c(c1)CN(c1cccc(F)c1C#N)CC2 1642588791 QUGSIXYDEBQVQC-UHFFFAOYSA-N 280.346 3.877 30 20 CHED COc1cc(COc2ccccc2C#N)ccc1Cl 1643506585 DVNVDPZZDBXWKX-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=C(Cl)CNCc1c(F)cc(Br)cc1F 1650315716 QMQISWAYPFKDCT-UHFFFAOYSA-N 296.542 3.569 30 20 CHED CCO[C@H]1C[C@@H](N(C)CCC(C)(C)C#N)C1(CC)CC 1652780540 JCCRRPUQBFOXCV-CABCVRRESA-N 280.456 3.842 30 20 CHED CCC[C@@H](NCc1ccc(OC)c(C#N)c1)C(C)(C)C 1656273172 XADUROPNUBUTSM-MRXNPFEDSA-N 274.408 3.871 30 20 CHED CC[C@H](NN=C1CCC[C@@H](c2ccccc2)CC1)C(=O)O 1776066269 BMIFCUOBNGLKDO-ZBFHGGJFSA-N 288.391 3.543 30 20 CHED C=C(C)CCCN(Cc1ccc(C(=O)O)cc1)C1CC1 1776138557 CUNSLRORKZEJMV-UHFFFAOYSA-N 273.376 3.706 30 20 CHED C=Cc1ccc(/C=C2/CCc3occ(C(=O)O)c3C2=O)cc1 1776194425 GBFMONYTNAOXAL-LCYFTJDESA-N 294.306 3.833 30 20 CHED CC(C)[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 7924677 FIFZGROGDKVDKA-KRWDZBQOSA-N 296.345 3.824 30 20 CHED CC[C@@H](CC#N)NC1CC(c2ccc(Cl)cc2)C1 54183491 TZPMPLVDNVWJFH-BLZCZZARSA-N 262.784 3.868 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)s1 176957904 XUWVIQACAZWQRM-IRXDYDNUSA-N 298.411 3.630 30 20 CHED CN(CC1CCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 58415305 HTEXJWDRRKYJNK-UHFFFAOYSA-N 291.782 3.866 30 20 CHED C[C@H](S[C@@H](C)c1ccc(C#N)cc1)C(=O)NC(C)(C)C 118444647 JWRDUQMHKFMEMS-RYUDHWBXSA-N 290.432 3.656 30 20 CHED N#Cc1cc(F)ccc1CSCCc1ccccn1 103166892 OZBWVUFDWXAEDE-UHFFFAOYSA-N 272.348 3.568 30 20 CHED COc1ccc(NC(=O)Nc2cc(C#N)ccc2C)cc1 50436307 CVCXKTXWCBLWDT-UHFFFAOYSA-N 281.315 3.519 30 20 CHED C=CCCC(=O)N(CC)[C@H](C)c1cccc(OC)c1 102226946 FGWNTIGXFKUAFR-CYBMUJFWSA-N 261.365 3.571 30 20 CHED C[C@@H](NCC1=Cc2ccccc2OC1)c1ccc(C#N)cc1 102424767 QLRLOVYOJBVTGB-CQSZACIVSA-N 290.366 3.685 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H](C)c1ccncc1)c1ccccc1 119799361 LUITXGIEGOVHJF-JKSUJKDBSA-N 294.398 3.961 30 20 CHED CCCCNC(=O)CCS[C@@H](C)c1ccc(C#N)cc1 118444523 OWBHBPJGZJSMOY-ZDUSSCGKSA-N 290.432 3.659 30 20 CHED CN(CCC#N)C(=O)c1cc(-c2ccccc2)ccc1Cl 110661000 WTCAVPFWDSTEKW-UHFFFAOYSA-N 298.773 3.993 30 20 CHED C=CCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 174713937 CZUVTLYBLFLKPV-WFASDCNBSA-N 261.340 3.701 30 20 CHED N#Cc1c(F)cccc1Nc1cnn(-c2ccccc2)c1 301150639 OOZPCDFUPKJMEQ-UHFFFAOYSA-N 278.290 3.627 30 20 CHED C[C@H](NCc1cc(C#N)cs1)[C@@H](C)c1ccccc1 177708955 XIHLEKIWRNFXFM-OLZOCXBDSA-N 270.401 3.902 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H]2C(C)C)cc1 63814330 OZHGOPRGXCMAHU-INIZCTEOSA-N 273.376 3.512 30 20 CHED C=C(Br)COC(=O)c1cccc(C(F)F)c1 170924364 MABGEKBLDYIGML-UHFFFAOYSA-N 291.091 3.690 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@H](C)[C@@H]1C)c1ccccc1 179548223 WSNDQIMEWVAJGX-HRCADAONSA-N 271.404 3.993 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)OCC1(CC#N)CC1 174753943 JAXAXDDAWCNCII-CQSZACIVSA-N 271.360 3.726 30 20 CHED Cc1ccc(F)c2c1CCCN2C(=O)c1cccc(C#N)c1 68144262 QSJBDMWZUFLYJX-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=C[C@H](CC(=O)NC[C@]1(C)CCCS1)c1ccccc1 127528933 DPOQYONWGKMVGZ-PBHICJAKSA-N 289.444 3.748 30 20 CHED C[C@@H](CC(=O)OCC1(CC#N)CC1)c1cccc(F)c1 174754122 UFGPPCOTKRMAPE-LBPRGKRZSA-N 275.323 3.556 30 20 CHED CC#CCCCC(=O)Nc1cc(-c2ccccc2C)nn1C 185955900 NCVAQOLVMYZMPV-UHFFFAOYSA-N 295.386 3.528 30 20 CHED C[C@H]1C[C@@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 73481240 YRXSXDOTNLWLSK-KSSFIOAISA-N 275.351 3.681 30 20 CHED Cc1cncc(C(=O)/C=C/c2c(F)cccc2F)c1 184774974 GIUOEXNLHMYMOX-AATRIKPKSA-N 259.255 3.564 30 20 CHED C=CCCN[C@@H](C)c1ccc(Br)cc1 70591999 KWTGLORYOAWSJO-JTQLQIEISA-N 254.171 3.676 30 20 CHED C=CCC1(C(=O)Nc2cccc(C#N)c2C)CCCC1 410594173 UWLMKVBDPRQZKO-UHFFFAOYSA-N 268.360 3.942 30 20 CHED CSCCCSCc1cn2ccccc2c1C#N 413011837 VYXWFENZZJFIIA-UHFFFAOYSA-N 276.430 3.797 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(C#N)c2)o1 79634892 HHVBPQLSOISLJA-ABAIWWIYSA-N 295.342 3.596 30 20 CHED C=CCC[C@@H](C)NCCc1c(C)[nH]c2ccccc12 185314205 LZAHDEKHYYHMNH-CYBMUJFWSA-N 256.393 3.963 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H](C)C1 181577688 XBIMZLDTNHIYTD-CABCVRRESA-N 296.414 3.750 30 20 CHED Cc1ccc(CCCC(=O)Nc2ccc(C#N)cc2)s1 79381057 VYPGLZJPRRFKHQ-UHFFFAOYSA-N 284.384 3.890 30 20 CHED C=CCC[C@@H](NC[C@@H](C)c1nc(C)cs1)C1CC1 186574449 IUPZKVCCZRWMAS-BXUZGUMPSA-N 264.438 3.889 30 20 CHED C=CCC[C@@H](C)NC1CCN(Cc2ccccc2)CC1 130508178 QXMMCNUHMNSVFX-MRXNPFEDSA-N 272.436 3.595 30 20 CHED C=CC[C@@H](C(=O)N[C@H](COCC)C(C)C)c1ccccc1 189535652 RJBXAXNMEYIDKK-IAGOWNOFSA-N 289.419 3.524 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 411350525 HPDORFQLRPPGAB-XFKAJCMBSA-N 296.414 3.699 30 20 CHED CCCCCCCCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 128994373 LHXOWDMBQKFTFG-BMFZPTHFSA-N 281.440 3.667 30 20 CHED Cc1nc(C[S@@](=O)CCC2(C#N)CCCCC2)cs1 417153948 PMFORNCZAWDOEM-IBGZPJMESA-N 296.461 3.564 30 20 CHED Cc1nnc([C@H](C)Sc2cccc(C#N)c2)s1 181767648 MUENUANFNOVXNF-QMMMGPOBSA-N 261.375 3.572 30 20 CHED C[C@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@@H]21 181231692 DPAVYBUVCZSYEK-MAZHCROVSA-N 283.375 3.601 30 20 CHED N#Cc1cnc(NCc2ccc(C3CCC3)cc2)c(F)c1 413270787 VSYQMKDWOLUHEO-UHFFFAOYSA-N 281.334 3.972 30 20 CHED C=C(C)CCc1noc(Cc2c[nH]c3c(C)cccc23)n1 508601139 TXKANQTXMUDYRF-UHFFFAOYSA-N 281.359 3.959 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 412818747 VBBHHPLQJPVHBN-GFCCVEGCSA-N 289.375 3.504 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(-c2cccs2)nc1C 183852921 DWEHASDQRPDWKU-LBPRGKRZSA-N 299.399 3.541 30 20 CHED COc1ccc(C#N)cc1CN[C@H](C)c1ccccc1C 130278026 UNPGHRPYLGZKFM-CQSZACIVSA-N 280.371 3.726 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)NCC2(C#N)CCC2)cc1 419649821 QXMCICMXXDNZAR-INIZCTEOSA-N 297.402 3.535 30 20 CHED CC(C)CCN(C(=O)NCC1(C#N)CCC1)C1CCCC1 419635811 CVXHEBHOIAXIBQ-UHFFFAOYSA-N 291.439 3.681 30 20 CHED C=CCCc1ccccc1NC(=O)COCCCCC 410364779 MHBOTSSNQYUHKJ-UHFFFAOYSA-N 275.392 3.951 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)CCC(C)(C)C 509414766 IKOKLSJHNMQKLO-LBPRGKRZSA-N 272.392 3.811 30 20 CHED C=CCCCC(=O)N[C@@H]1CCCOc2c(F)cccc21 181056825 QAZZBYOTQKHPOH-CQSZACIVSA-N 277.339 3.512 30 20 CHED CCOc1ccccc1OCc1cc(C#N)ccc1OC 130510987 HLTFALKISVDGLL-UHFFFAOYSA-N 283.327 3.545 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)NCc1cccc(C#N)c1 42321838 AGXRXYWTKWHMLX-CQSZACIVSA-N 287.407 3.572 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(Cl)c(Cl)c1 47979392 GYDAMZSIAKZKLV-SECBINFHSA-N 257.164 3.585 30 20 CHED CCC1(CC)CCCN(C(=O)C2(C#N)CC(C)C2)CC1 527058458 ZPIPIGXDHAJZEY-UHFFFAOYSA-N 276.424 3.745 30 20 CHED C=C(C)CN(C)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 180467048 LZYVOZWUCCJOCX-ZDUSSCGKSA-N 279.811 3.943 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H](C)C(C)C 415036612 FPCUAJMUWXDPLI-XOKHGSTOSA-N 284.403 3.555 30 20 CHED C#CCN(CC)C(=S)Nc1c(C)cc(C)cc1Cl 138918196 SAPZJWDPSVYKKG-UHFFFAOYSA-N 280.824 3.609 30 20 CHED C=CCCC(=O)N(CCOCC)c1ccc(Cl)cc1 416008864 CJSRELVUIKJUQL-UHFFFAOYSA-N 281.783 3.676 30 20 CHED CSC[C@](C)(C#N)NC(=O)c1ccc(C)c2ccccc12 415683664 DAVJOXYJWGIIPV-KRWDZBQOSA-N 298.411 3.523 30 20 CHED CCOc1cccc(CNc2snc(Cl)c2C#N)c1 48561123 HJHJCTZVVLXGSU-UHFFFAOYSA-N 293.779 3.679 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCc1cscn1 418955212 POBHACXHPIOYSD-UHFFFAOYSA-N 289.400 3.810 30 20 CHED N#CC1(CCN2CCC(CF)CC2)CCCCC1 411791586 PWHBUERSGVWUQQ-UHFFFAOYSA-N 252.377 3.532 30 20 CHED COc1ccc(OC)c([C@@H](C)NCC(C)(C)CCC#N)c1 229683391 QDOZHHAUAIEDCL-CYBMUJFWSA-N 290.407 3.684 30 20 CHED C=CCC1(C(=O)Nc2cc(C#N)ccc2C)CCC1 190678237 XLRSMPNVQUBGGY-UHFFFAOYSA-N 254.333 3.552 30 20 CHED C=C(C)CCSc1nc2cc(Cl)cnc2[nH]1 505444778 TUZHFSGALTYZLD-UHFFFAOYSA-N 253.758 3.670 30 20 CHED C[C@H](OC(=O)c1cccc(CC#N)c1)c1ccccc1 42382764 VJGROBTVJWQPNW-ZDUSSCGKSA-N 265.312 3.671 30 20 CHED CO[C@@H](C)c1nc(COc2ccc(C#N)cc2C)cs1 177583927 ROECNYHCDGNXRR-NSHDSACASA-N 288.372 3.610 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)cc1Br 136163669 NJNJSJANBUZSLL-ZDUSSCGKSA-N 295.180 3.636 30 20 CHED C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1cccs1 46889801 DTDPRAMACAVRSM-LBPRGKRZSA-N 299.399 3.522 30 20 CHED N#Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cc1 510407241 PQIZWQZNUPFTIQ-IRXDYDNUSA-N 282.387 3.504 30 20 CHED C=CCc1cccc(F)c1OCCc1c(C)noc1C 424099121 IDTXNINVEVQKQM-UHFFFAOYSA-N 275.323 3.781 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1cc(Cl)ccc1Cl 42460801 LZTLBQXLVDKSMJ-MRVPVSSYSA-N 286.162 3.617 30 20 CHED Cc1cc2cc[nH]c2cc1N=C(O)[C@@]1(C)CCC(O)=NC1 329843620 PMXYMZKNRGVKNY-INIZCTEOSA-N 285.347 3.821 30 20 CHED CC(C)CN(Cc1ccccc1F)c1ccc(C#N)cn1 519888103 XYSPFBUYYLBIJH-UHFFFAOYSA-N 283.350 3.755 30 20 CHED CC(C)CN(CC(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 80878622 INBZLJYSXIJWGJ-ZWKOTPCHSA-N 298.430 3.802 30 20 CHED Cc1cccc([C@@H](O)CNc2c(Cl)cccc2C#N)c1 132574203 WRDXHYATEHNDCO-HNNXBMFYSA-N 286.762 3.666 30 20 CHED COc1cccc(/C=C2\Cc3cc(F)ccc3C2=O)c1F 195502956 SWXZKDLYLTVSCY-KPKJPENVSA-N 286.277 3.796 30 20 CHED C=C(C)CN1CCC(NCC[C@H](C)c2ccccc2)CC1 194383963 NSGRNRUAQVBZNH-KRWDZBQOSA-N 286.463 3.810 30 20 CHED N#CCOc1cccc(NCc2cc(F)c(F)cc2F)c1 227114155 VWKIQFFYFCOAOG-UHFFFAOYSA-N 292.260 3.618 30 20 CHED C=C(C)CCN[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 386681514 IIJGPKBQRHPLEU-GJZGRUSLSA-N 296.455 3.626 30 20 CHED N#C[C@]1(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CC12CCCC2 333501626 CQRIWTIEBMUUHR-FSZRXZPDSA-N 286.419 3.545 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C#N)c1ccccc1Cl 425572940 QUWDQAZSKKRASG-CYBMUJFWSA-N 276.767 3.623 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@H](C)OC1CCCCCC1 332049421 VSQSECHEDROVHT-WMLDXEAASA-N 294.439 3.559 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 517148541 JWZADHZAEYVSCW-PBHICJAKSA-N 282.387 3.872 30 20 CHED C=CCC[C@H](NC1CC(CC(=O)OC)C1)c1ccccc1 424306025 UFELAHKNRARMKU-PREGVCBESA-N 287.403 3.625 30 20 CHED CC(C)(C)c1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1 334029001 UMXGNBOHFWTYMT-WFASDCNBSA-N 285.391 3.798 30 20 CHED Cc1cn2c(/C=C\C(=O)c3ccccc3)c(C)nc2s1 96930319 VUGVWGSTJQDYPL-HJWRWDBZSA-N 282.368 3.909 30 20 CHED C[C@H]1SCC[C@H]1Nc1cc(Cl)ccc1C#N 235655132 OLTHGJMUXPJVHF-LDYMZIIASA-N 252.770 3.518 30 20 CHED CCCn1c(C(=O)O[C@H]2CC[C@@H](C#N)C2)cc2ccccc21 191596322 WMDPPYRVUVCHDV-HIFRSBDPSA-N 296.370 3.900 30 20 CHED N#Cc1ccc(NCCCC2(O)CCC2)c(C(F)(F)F)c1 420632185 JLAURTXBAZGROD-UHFFFAOYSA-N 298.308 3.684 30 20 CHED CC1(C)CCC(CNC(=O)[C@@]2(C#N)CC23CCCC3)CC1 333555938 NHUDPRKWKFMYTO-SFHVURJKSA-N 288.435 3.793 30 20 CHED C=C(C)COCCN[C@@H]1CCc2cc(Cl)ccc21 90450869 BQRXAJDUVCJZTD-OAHLLOKOSA-N 265.784 3.510 30 20 CHED CCC1(NC(O)=Nc2ccccc2SC)CCOCC1 330707342 POHMUQFPHPHUQG-UHFFFAOYSA-N 294.420 3.503 30 20 CHED Cc1ccc(S(=O)(=O)[C@H](C)c2ccc(C#N)cc2)cc1C 334212017 QYLPVETYUNGJHR-CQSZACIVSA-N 299.395 3.710 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H]1OC(F)F)c1ccc(C#N)cc1F 337551499 OTTUECPAUPVANX-FZZIBODNSA-N 298.308 3.508 30 20 CHED CSC1(CNc2ncc(Cl)c(C)c2C#N)CCC1 432836414 UOTKIPNCAUWAAW-UHFFFAOYSA-N 281.812 3.613 30 20 CHED C=CCC1(C(=O)N2CCc3sccc3C2)CCCC1 334654304 SSGUEOXENJHAFV-UHFFFAOYSA-N 275.417 3.769 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)COC2 92166371 KJHWEAZGNZNOKJ-UHFFFAOYSA-N 288.391 3.927 30 20 CHED Cc1ncsc1CCOc1cc(Cl)cc(C#N)c1 386007757 UUADQXZSXZMCBZ-UHFFFAOYSA-N 278.764 3.598 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(F)cc1F 237747902 KPWWHFXIEAOMCA-UHFFFAOYSA-N 291.272 3.728 30 20 CHED C[C@H](Nc1nccc(C#N)c1Cl)c1cccs1 235539074 UOXNXFQQGMUGPI-QMMMGPOBSA-N 263.753 3.841 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(F)cc1Cl 90451152 HSUGPTRHIZPUGO-NSHDSACASA-N 271.763 3.722 30 20 CHED C#CCCOc1ccc(CN(C)Cc2ccoc2C)cc1 92438680 DDSGNJHQHQIYFX-UHFFFAOYSA-N 283.371 3.622 30 20 CHED Cc1cccnc1[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(C)C 248832794 MSSQUBSLDOCEBQ-BZUAXINKSA-N 271.408 3.759 30 20 CHED CC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C 343627351 JEPNXVDOZXXJOL-CQSZACIVSA-N 298.390 3.523 30 20 CHED Cc1ccnc(N(Cc2ccc(F)cc2F)C2CC2)c1C#N 343509769 JXDAUVFOPZRZGH-UHFFFAOYSA-N 299.324 3.709 30 20 CHED N#Cc1ccc(COC(=O)CCc2cccc(Cl)c2)cc1 247537438 AQBDTZYZNUGOAZ-UHFFFAOYSA-N 299.757 3.888 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCCC[C@@H]1C 340733610 BMIPAKULCGEIBT-LRDDRELGSA-N 288.366 3.738 30 20 CHED Cc1ccccc1CN(C)C(=O)c1cc(C#N)ccc1Cl 349365248 KLYDRVQLSGBAHW-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CC(C)(Cc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 522746062 GDKJMDWTBOSGNE-UHFFFAOYSA-N 296.345 3.905 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](CCO)c1ccc(Cl)cc1 348223007 XJOZCWWKRYFQBA-WOSRLPQWSA-N 281.827 3.954 30 20 CHED C[C@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](C)CCC#N 602478281 OVYYITBRUJALMJ-YCPHGPKFSA-N 274.383 3.943 30 20 CHED Cc1c[nH]cc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 347793300 OLFIWAGFXHROLI-UHFFFAOYSA-N 287.407 3.552 30 20 CHED COc1ccccc1/C=C1/CCc2c(O)cccc2C1=O 254884491 CJBISZJIKRILLH-QBFSEMIESA-N 280.323 3.613 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(F)c1)C2 255839880 AKBAEKNWOZJUMD-NTUHNPAUSA-N 268.287 3.662 30 20 CHED C=CCNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 607170567 PZIZRSFOACXREF-KRWDZBQOSA-N 298.361 3.595 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1F)c1ccc2n[nH]cc2c1 343926669 ZEGKDLIWNJTWRC-SNVBAGLBSA-N 280.306 3.747 30 20 CHED CC(C)N(C)Cc1cccc(CNC[C@@H](C)CCC#N)c1 602533402 GXTPVVMOOHXARD-INIZCTEOSA-N 287.451 3.556 30 20 CHED C[C@@H]1CC[C@@H](c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)O1 528229657 DLBKIVNDYQDIIH-RISCZKNCSA-N 297.358 3.778 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(F)cc2cccnc12 340720118 HQEYZOGDJYNMRV-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Cc1ccc(CCCNc2cccc(C#N)n2)c(C)c1 609890548 IQRODGHGVAXCCH-UHFFFAOYSA-N 265.360 3.615 30 20 CHED Cc1c(C#N)cccc1-c1nc(C2CCSCC2)no1 347139277 RNHCFRUEPKIFDE-UHFFFAOYSA-N 285.372 3.527 30 20 CHED Oc1ccc(Cl)cc1C=Nc1ccc2c(c1)COC2 255332958 GSIXTWGYGYCBBJ-UHFFFAOYSA-N 273.719 3.826 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 352861841 KKOFNUUGDFFLMW-MFKMUULPSA-N 282.309 3.855 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1ccc(C#N)s1)C2=O 255361849 KUJUKTIYEHINMZ-FMIVXFBMSA-N 295.363 3.841 30 20 CHED CN(CC#Cc1ccc(F)cc1)[C@@H]1CCc2ccccc21 446816546 FYYSLWFQXCQRGF-LJQANCHMSA-N 279.358 3.797 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@@H](c1ccccc1)C(C)C 609129483 AHXMYKHRYZSNKF-DLBZAZTESA-N 286.419 3.871 30 20 CHED C=CCCCCCSc1nc(C)c(C)n1CCOC 447289079 ZCKDMJJKUIOVFC-UHFFFAOYSA-N 282.453 3.985 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](c3ccccc3F)C2)CC1 355190824 WWRQQTYXIJHESW-AWEZNQCLSA-N 287.378 3.888 30 20 CHED CC1(C)CCCN(C/C=C\c2ccccc2)[C@@H]1C#N 444723792 XFCQCFYULGXMFG-CXSQMQJXSA-N 254.377 3.714 30 20 CHED CCC1(CC)[C@H](NC2CCC(C)(C#N)CC2)C[C@H]1OC 449186680 JOCOAYWNWMDARZ-LVDPKSTMSA-N 278.440 3.642 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(OCCCC)CC1 537188254 VEZNWXKIQSEHDH-HNNXBMFYSA-N 296.455 3.722 30 20 CHED CC[C@@H](CC#N)NCc1ccccc1OCC(C)C 449244464 SQWCSKQENZUEFZ-HNNXBMFYSA-N 260.381 3.503 30 20 CHED Cc1ccc2cc(CN3CCC[C@](C)(C#N)C3)ccc2n1 615136961 NMNZIZAMLFAHIP-GOSISDBHSA-N 279.387 3.669 30 20 CHED C[C@H](ON=C1CCC1)c1ncc(-c2ccccc2)o1 267051531 FIWBOPXWDMOZCY-NSHDSACASA-N 256.305 3.959 30 20 CHED Cc1cc(C)c(C#N)c(SCc2nc(C)sc2C)n1 443530927 PGYPBWAQNHXKJC-UHFFFAOYSA-N 289.429 3.936 30 20 CHED CC(C)C(NC(=O)NC1(c2cccc(C#N)c2)CC1)C(C)C 610986570 BKHDCUDPMJRWKQ-UHFFFAOYSA-N 299.418 3.527 30 20 CHED Cc1cccc([C@@H](NCCCCC#N)C(F)(F)F)c1 357823681 UBLPRAGWWAHLSS-CYBMUJFWSA-N 270.298 3.882 30 20 CHED C=CCCCC[C@@H](C)N[C@@H]1CCCc2nn(C)cc21 358972640 WKSZNSFMKAMFLC-UKRRQHHQSA-N 261.413 3.522 30 20 CHED CC[C@H](N[C@@H](CC)C1CCOCC1)c1ccc(C#N)cc1 447527825 GBEIZDSJBVYDDD-ROUUACIJSA-N 286.419 3.804 30 20 CHED Cc1cc([C@H](C)NCc2cc(C#N)ccc2F)ccc1F 611336535 ZNGOPPHTVCODDO-LBPRGKRZSA-N 286.325 3.996 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 617777209 KKLKLVLWYDXYAH-HZPDHXFCSA-N 261.409 3.938 30 20 CHED Cc1cncc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 618802193 CZJZSNQKTFDALC-SCLBCKFNSA-N 277.371 3.600 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc3c(cnn3C(F)F)c2)C1 618573779 BQCBMYLAKVQODT-JQWIXIFHSA-N 290.317 3.926 30 20 CHED N#Cc1ccc(S[C@H](C#N)Cc2ccccc2)c(F)c1 610219752 NFFBTCQNSXRDIG-AWEZNQCLSA-N 282.343 3.924 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1 352173920 HXAQCTQRXQPVPL-SOLBZPMBSA-N 284.403 3.974 30 20 CHED C[C@H](NC(=O)C(C)(C)C1CCCC1)c1cccc(C#N)c1 611134918 JAPAGNPUMCNBED-ZDUSSCGKSA-N 284.403 3.952 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 534416238 AOKRWTOFVKEWQY-ZDUSSCGKSA-N 277.795 3.697 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)o1 361230541 UZMZWEPCDHSDIA-AWEZNQCLSA-N 288.734 3.686 30 20 CHED C=CCC1(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)CCCCC1 458023774 LLIJNSQORXCWCN-BZUAXINKSA-N 291.435 3.587 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](CCO)c1ccccc1 360238279 MIBPBVLREMDINJ-SJORKVTESA-N 261.409 3.835 30 20 CHED C=CC(C)(C)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 450046139 RGOCUIREMKMPOR-GHMZBOCLSA-N 277.330 3.684 30 20 CHED C=CCC1(C(=O)N2CCC[C@](C)(OC)C2)CCCCC1 451321648 DGOYGCPJDPHRCV-INIZCTEOSA-N 279.424 3.541 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1c(F)cccc1F 537028617 HYXIQBJJQUXOHU-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=CC[C@@H]1N(C(=O)NCCC(C)(F)F)CCCC1(C)C 458883943 JUCCHDKOJBWNHA-LBPRGKRZSA-N 288.382 3.808 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1c1c(C)cccc1C 617179923 MRAZNYPEEGSASQ-ZACQAIPSSA-N 299.414 3.558 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 614133734 PVHWRQNQFMPJTD-CAOSSQGBSA-N 261.409 3.770 30 20 CHED C=CCC1(NC(=O)[C@H]2CCc3cc(F)ccc32)CCCC1 619111350 ZPMHNNNEPWIJCS-INIZCTEOSA-N 287.378 3.861 30 20 CHED Cc1cccc2c(N3CC[C@H](C)[C@H]3C)c(C#N)cnc12 610588362 GBDKIPGMTMVKIT-WCQYABFASA-N 265.360 3.650 30 20 CHED Cc1ccc2oc(-c3noc(C4(C#N)CCC4)n3)cc2c1 278187966 MAGYJRVBXRZRMW-UHFFFAOYSA-N 279.299 3.737 30 20 CHED C=C(CC)CNC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 455037009 COTQCUOSWVEOQT-GFCCVEGCSA-N 290.411 3.819 30 20 CHED C=CCN(C(=O)Nc1ccccc1CSC)C1CC1 274164546 HNWOUZWUTCDCOB-UHFFFAOYSA-N 276.405 3.732 30 20 CHED C=CC[C@@H](C)NC(=O)CCCCC(=O)c1ccc(C)cc1 546800845 GWLPXHFBDUAUGL-OAHLLOKOSA-N 287.403 3.819 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@@H](C)[C@H](C)C1 362830187 ZPGQGHDDXSCAMF-CHWSQXEVSA-N 275.417 3.693 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@]1(C)CC(C)C)OCC 452507902 HOQLCVIGAHTKGS-NVXWUHKLSA-N 281.440 3.785 30 20 CHED C=C(C)CCNC(=O)c1c(C)nc2ccccc2c1C 456124711 SYGSFURTXPUNEW-UHFFFAOYSA-N 268.360 3.548 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](c1ccccc1)C1CC1)OCC 270014302 GSJKQLXHECFDDD-WMZOPIPTSA-N 287.403 3.625 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 454909736 VTACSOWXPOCUMA-CTYIDZIISA-N 290.382 3.583 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 450113337 KUXJNOFUTCPZLD-CRAIPNDOSA-N 288.435 3.745 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc2ccccc2o1 274628944 OKPWAGVGGRQWBK-OBJOEFQTSA-N 254.333 3.776 30 20 CHED C=C(C)CN(CC)Cc1cc(C)c2ncccc2c1 543397565 VFWAITBYGYLCRP-UHFFFAOYSA-N 254.377 3.941 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC(F)(F)C[C@H]1C 624969370 WSLFXIMVVFIJDQ-GFCCVEGCSA-N 298.381 3.602 30 20 CHED C=C(C)CCNC(=O)C1(Cc2ccc(Cl)cc2)CC1 452716599 ISAJUDFXKXFRAZ-UHFFFAOYSA-N 277.795 3.745 30 20 CHED CC(C)C[C@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 457996856 UGNBJDDRRAZWON-INIZCTEOSA-N 286.419 3.872 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1cccs1 455366522 MHEAHWKEXOWALG-LLVKDONJSA-N 266.410 3.663 30 20 CHED C=CCCc1noc([C@H]2CCCc3ccccc32)n1 453248268 PLXROXGUMFYZLJ-AWEZNQCLSA-N 254.333 3.656 30 20 CHED C[C@@H](NCCCC#N)c1cc(Cl)c(Cl)cc1O 278387481 DLSDYLQDIFTEEM-MRVPVSSYSA-N 273.163 3.653 30 20 CHED C=CCN(C(=O)c1ccc(C(C)C)nc1C)C(C)(C)C 622945589 JVHCOQFMUXVRMF-UHFFFAOYSA-N 274.408 3.940 30 20 CHED Cc1ccccc1[C@H]1CCN(CCC(C)(C)C#N)C1 271994266 FQZPSIXBJYETQZ-HNNXBMFYSA-N 256.393 3.724 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(F)c1 464646171 WNXMHGNZMWBJBH-LLVKDONJSA-N 274.339 3.852 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](C)Oc2ccccc2C)n1 463086777 SRYMFBDUVUCBHN-HNNXBMFYSA-N 295.386 3.758 30 20 CHED Cc1ccc(F)cc1-c1noc(-c2cccc(CC#N)c2)n1 545698822 FKLBGMDTTZKBBZ-UHFFFAOYSA-N 293.301 3.917 30 20 CHED N#Cc1ccc(/C=C/c2nc([C@@H]3CCCS3)no2)cc1 274063700 FBYHFQYSXCAJFL-GWJCSSMESA-N 283.356 3.680 30 20 CHED Cc1cccc(C)c1[C@@H](C)NCCOc1cccc(C#N)c1 545518283 SOQMQBNUPCYBIH-MRXNPFEDSA-N 294.398 3.905 30 20 CHED C=C[C@@H](C)NC(=O)N(Cc1cccc(C)c1)CC(C)C 464757686 OXXCZCIMRAQMKE-OAHLLOKOSA-N 274.408 3.737 30 20 CHED CCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1NC1CC1 281223772 RRGCYGYEDWYXBS-LLVKDONJSA-N 271.364 3.507 30 20 CHED CCC[C@@H](Nc1cc(C#N)ccn1)c1ccccc1 552909643 KFSFJEZRWVIVLH-OAHLLOKOSA-N 251.333 3.907 30 20 CHED C=CCCCC(=O)N1CC[C@](C)(c2ccc(C)cc2)C1 469360238 VEGNEDPXRRVKLH-SFHVURJKSA-N 271.404 3.841 30 20 CHED Cc1ccccc1C(C)(C)NCCOc1cccc(C#N)c1 555612091 ILOUBQWXWGQXGS-UHFFFAOYSA-N 294.398 3.770 30 20 CHED C=C[C@H](C)N[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 638750460 ULOPABPTQPXRSV-ZVZYQTTQSA-N 270.420 3.519 30 20 CHED N#Cc1ccc2nc(N3CC[C@@H](CC4CC4)C3)ccc2c1 555249612 UHFRRDRLOWVFES-HNNXBMFYSA-N 277.371 3.733 30 20 CHED Cc1ccc2cc(C(=O)Nc3ccccc3CC#N)[nH]c2c1 550102685 UWLGWPVGXZLKNE-UHFFFAOYSA-N 289.338 3.795 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)CCOc1ccccc1 465026673 CUTMJXMXAYBOLI-HNNXBMFYSA-N 275.392 3.516 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C)c(Br)c1 466372370 HAJWPWTZIWXHSP-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2ccc(F)cc2F)CC1 474187736 DVPCPQSVKWPTOL-LLVKDONJSA-N 279.330 3.888 30 20 CHED CC1(C)CC[C@H]1/N=C\c1cc2ccccc2nc1O 804598911 ROLVCLKYGVEYCZ-AYCSXLNKSA-N 254.333 3.548 30 20 CHED C=CCOc1ccc(OCc2cccc3c2CCOC3)cc1 630070300 JNQCYXFXRBSROJ-UHFFFAOYSA-N 296.366 3.903 30 20 CHED C#CCCCCCC(=O)OC[C@H](OC)c1ccccc1 801855784 CAUCGMZIDWBAQE-INIZCTEOSA-N 274.360 3.501 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccccc1Cl 294271594 GWGPRXVRWHIGNE-JTQLQIEISA-N 251.757 3.729 30 20 CHED N#CCSCCCOC(=O)CCC1CCCCC1 805332350 RPXKXWPOVVMGBI-UHFFFAOYSA-N 269.410 3.537 30 20 CHED Cc1cccc([C@@H]2CCCCN2c2cc(C#N)ncn2)c1C 559494892 XAKUUZUSXPAIKJ-KRWDZBQOSA-N 292.386 3.697 30 20 CHED CC1CCC(COC(=O)CCCCCC#N)CC1 805696993 QGTLKCWUPFAJPJ-UHFFFAOYSA-N 251.370 3.830 30 20 CHED Cc1ccc(-c2nc(Cc3ccccc3F)no2)cc1C#N 809238630 MFWOYOMQXSUVTE-UHFFFAOYSA-N 293.301 3.647 30 20 CHED Cc1cc(Cl)cc([C@@H](C)NCCCCC#N)c1O 808693242 YBYYSMPPCQKNIP-LLVKDONJSA-N 266.772 3.699 30 20 CHED Cc1nc(C(C)C)ccc1COC(=O)c1cc(C#N)oc1C 293136465 SNHKFIOPVSXPCE-UHFFFAOYSA-N 298.342 3.644 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 293850975 WYSXWACHAKVIFX-GFCCVEGCSA-N 291.366 3.506 30 20 CHED C#Cc1ccc(CN[C@H](CCC)c2ccccn2)cc1 809615607 JGBBKAFWKVZDEP-QGZVFWFLSA-N 264.372 3.694 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2Cl)[C@H]1SC 807943889 NGAJKPIRXZMUJH-QWHCGFSZSA-N 284.812 3.648 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1Cc1ccccc1C 479613632 ZNMXHYFPRPDCLX-QGZVFWFLSA-N 271.404 3.885 30 20 CHED N#CCCC1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 399356204 OEMUIEITGRWSEX-KRWDZBQOSA-N 290.451 3.884 30 20 CHED Cc1ccc([C@H]2CCCC2=NN[C@H]2CCSC2)cc1 807999889 WWBAHLUMCWBPHF-LSDHHAIUSA-N 274.433 3.714 30 20 CHED C#CCC(C)(C)c1nc(-c2cccc(Cl)c2F)no1 809449644 KSHWIAYWZVOYTO-UHFFFAOYSA-N 278.714 3.830 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC1(Cc3ccccc3)CC1)CC2 563658155 SMIFKPYJBWDJEV-IBGZPJMESA-N 288.394 3.910 30 20 CHED C=CCN(C(=O)NC[C@@H](c1ccccc1)C1CC1)C1CC1 297309297 LBWYKJWKWMNRKL-KRWDZBQOSA-N 284.403 3.540 30 20 CHED N#C[C@H](C(=O)c1occ2c1CCC2)c1nc(C2CC2)cs1 647379694 FCOLNQBRGPVUPY-GFCCVEGCSA-N 298.367 3.592 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(C3CC3)c2)C1 569738492 CZBHCVVYGJECOO-FZKQIMNGSA-N 282.387 3.766 30 20 CHED CCN(C(=O)CCCC#N)c1ccc(Cl)cc1F 292341222 OVTWOLSHVQMDQJ-UHFFFAOYSA-N 268.719 3.526 30 20 CHED N#CCCCC(=O)Nc1cc(Cl)ccc1NC1CC1 292004069 SZGTXTGYCGBRTA-UHFFFAOYSA-N 277.755 3.547 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(Cl)cc1C 806097240 OSDZPRYNOUTTHL-GFCCVEGCSA-N 264.756 3.572 30 20 CHED C=CCC[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 563453362 CDPDPCLIGYUVQC-FCGDIQPGSA-N 285.431 3.724 30 20 CHED N#CC1(CSCc2cc(Cl)c3c(c2)OCO3)CCC1 561256427 QBIYAYFHJMTJIX-UHFFFAOYSA-N 295.791 3.996 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](c2cccc(C)c2)C1 488920056 OUVWQKNKYPFHMD-QGZVFWFLSA-N 294.398 3.612 30 20 CHED C=C[C@H]1CCCCN1C(=O)CSc1ccc(F)c(F)c1 488856408 POMZZGAXDKLBRW-NSHDSACASA-N 297.370 3.624 30 20 CHED CCCCCCCCc1nc(-c2ccnc3ccnn23)no1 813347837 UXECOZNGAKYDJU-UHFFFAOYSA-N 299.378 3.682 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(C(C)(C)C2=CCCCC2)no1 565463575 WQKZFSVETYIZLO-MEDUHNTESA-N 271.364 3.649 30 20 CHED Fc1cc(Cl)c(NN=C[C@H]2CCCOC2)c(Cl)c1 814891033 LKFKMRSRDHCCPU-MRVPVSSYSA-N 291.153 3.957 30 20 CHED C#CCC1(OC(=O)/C=C\c2ccc3[nH]ccc3c2)CCC1 810750706 OLMDHBQSFSNUDK-ALCCZGGFSA-N 279.339 3.670 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCCCC[C@H]2C)CC1 651700779 SSLQIIGWHYDQAQ-NVXWUHKLSA-N 264.457 3.585 30 20 CHED Fc1ccc([C@H](NCCC(F)(F)F)C(F)(F)F)cc1 488204713 WGQLXXXCZMSOLW-VIFPVBQESA-N 289.194 3.971 30 20 CHED Clc1ccc(C=NNC[C@H]2CCSC2)c(Cl)c1 811658593 HHVWVPDPIWTOFD-SECBINFHSA-N 289.231 3.670 30 20 CHED CO[C@@](C)(C=NNc1c(F)cccc1Cl)C1CC1 814904851 BMHCESCVWQVJDU-ZDUSSCGKSA-N 270.735 3.692 30 20 CHED CC[C@@H](C)NN=C1CCCSc2ccc(OC)cc21 814913184 JAWHSIYTEKITIU-LLVKDONJSA-N 278.421 3.673 30 20 CHED CC(C)OCCON=CC1CCC(C(C)C)CC1 812238266 QJLZBKMJOLMAKR-UHFFFAOYSA-N 255.402 3.876 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cc(N)ccc1F 814683945 XCUWUISGZGOLHP-UHFFFAOYSA-N 277.730 3.897 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(C#N)c(F)c1 483519540 QCGZJUKKHMLMAJ-UHFFFAOYSA-N 282.362 3.762 30 20 CHED CC(C)(C)[C@H](Nc1ccnc(C#N)n1)c1ccccc1 577230991 DADCMIAXTZEIQW-OAHLLOKOSA-N 266.348 3.548 30 20 CHED COc1ccsc1C(=O)/C=C/c1cccc(F)c1C#N 811695014 ZJLBCCYGMPFRHN-AATRIKPKSA-N 287.315 3.664 30 20 CHED C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1C 575325486 GSEUKGSYBRISNU-UHFFFAOYSA-N 290.798 3.538 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(C)nc1C 814687040 MLIYFMGAIPLBCJ-UHFFFAOYSA-N 253.349 3.843 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1cccc(F)c1C 817731225 XQRKUXCGSLKIIV-INIZCTEOSA-N 280.339 3.520 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C)ccc2F)cc1O 811698529 LJKJXQVWSBIMIZ-QPJJXVBHSA-N 286.302 3.744 30 20 CHED COc1cc(C#N)cc(Cl)c1OCCCCCCCN 818617543 GFNDEHLNRRTOMO-UHFFFAOYSA-N 296.798 3.508 30 20 CHED Cc1ccc2ncc(C#N)c(OCC[C@@H](C)F)c2c1 488277610 HPQOQUITFXSCLY-LLVKDONJSA-N 258.296 3.542 30 20 CHED C=CC[C@H]1CCCN(Cc2ccnc(Cl)c2F)C1 826947660 RMNVVORKYNKATO-NSHDSACASA-N 268.763 3.662 30 20 CHED C=CCC[C@H](C)N[C@@H](COC)c1ccc(Cl)cc1 494510355 FJSBXNKGPJSEKD-WFASDCNBSA-N 267.800 3.972 30 20 CHED C=CC[C@H](C)NCc1sccc1Br 164997362 GFSSETJMJHCINN-QMMMGPOBSA-N 260.200 3.565 30 20 CHED CC(C)C#CC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 821805784 ILZFIHWLNRGXLH-BBRMVZONSA-N 285.387 3.553 30 20 CHED C#CCCOc1ccc(C(=O)N(C2CC2)[C@@H](C)C(C)C)cc1 822747620 MYNHKSHYZQQTDI-HNNXBMFYSA-N 299.414 3.738 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc1 822407401 YIAHUCGXHWHITQ-AWEZNQCLSA-N 287.403 3.595 30 20 CHED C=C(Cl)COC(=O)C(C)(C)c1ccc(C)cc1 728665932 KTIPMYDDXPOHNS-UHFFFAOYSA-N 252.741 3.568 30 20 CHED CC(C)CCN(CCC#N)C(=O)C1CCC(C)(C)CC1 494835679 SDUQOIHNUGKEAV-UHFFFAOYSA-N 278.440 3.991 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1CCCc2nc(C)ncc21 823855157 ICOKCNZSNGESCT-CJNGLKHVSA-N 273.424 3.887 30 20 CHED C=CCCNC(=O)Nc1cc(F)ccc1N1CCCCC1 665948588 DBJXUOBHAFPIST-UHFFFAOYSA-N 291.370 3.514 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC[C@H](CC)C1 582372349 LXXLQIHAMPFWEK-AWEZNQCLSA-N 288.439 3.748 30 20 CHED C=CC1CCN(C(=O)/C=C\c2ccc3[nH]ccc3c2)CC1 492316218 FTGMOBUSNSZFSM-XQRVVYSFSA-N 280.371 3.606 30 20 CHED C=C(Cl)CNC(=O)c1cccc(-c2nc(C)cs2)c1 739735311 WZUFGDKBABVYTQ-UHFFFAOYSA-N 292.791 3.601 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1O 903106725 UORNFXABMBTXNE-QMMMGPOBSA-N 285.174 3.653 30 20 CHED C=CCC(CC=C)C(=O)OCC[C@H]1CC1(Cl)Cl 820433685 BHBKOSRNDZBXJC-NSHDSACASA-N 277.191 3.882 30 20 CHED COc1ccc(CCCN(C)Cc2cccc(C#N)c2)cc1 497476663 SCVUACDTZYKDBQ-UHFFFAOYSA-N 294.398 3.631 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2c(C)cccc2OC)c1C 834420602 IZUQSJUYHGRSSB-ZHACJKMWSA-N 298.386 3.733 30 20 CHED C=CCCCCNc1ccccc1N=S(C)(C)=O 902096210 GEXYANSGBDRZLZ-UHFFFAOYSA-N 266.410 3.814 30 20 CHED COC(=O)c1cc(NN=C2CCCC2(C)C)ccc1F 835011625 MABPGSWKTCLNCK-UHFFFAOYSA-N 278.327 3.590 30 20 CHED C[C@H](COCc1ccccc1)CSCCO[C@H](C)C#N 902387570 QFPKIAAKCMPYBN-HUUCEWRRSA-N 293.432 3.501 30 20 CHED CC[C@H](CC#N)OC(=O)[C@@H]1CCC[C@H]1c1ccccc1 835340274 MBPLEZKOBKXSTJ-OWCLPIDISA-N 271.360 3.806 30 20 CHED Cc1nc(C)c(C=NNc2ccc3ccccc3n2)s1 736428211 GXCROXAULUZQKK-UHFFFAOYSA-N 282.372 3.754 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)nc1 732939403 ABKVTSNWUAQIIK-GOSISDBHSA-N 292.382 3.532 30 20 CHED CCOc1ccc(COc2cc(Cl)cc(C#N)c2)nc1 588309241 RJLAUQYEKBGWGY-UHFFFAOYSA-N 288.734 3.584 30 20 CHED CC(=O)Nc1cccc(OCCCCC2(C#N)CCC2)c1 902689951 ZAEFCDWOJKFNFG-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C=CCCCCNc1ccc(CN(C)C(=O)OC)cc1 834552306 YSGMKFGUWPGYRA-UHFFFAOYSA-N 276.380 3.653 30 20 CHED Cc1ccc(OC(F)F)c(/C=C\C(=O)c2ccncc2)c1 588386442 RVVNWTSRGSHSBH-ARJAWSKDSA-N 289.281 3.888 30 20 CHED Cc1ccccc1C(C)(C)C(=O)O[C@H]1CCC[C@H](C#N)C1 839047924 AVTQXSHPRZRTHB-GJZGRUSLSA-N 285.387 3.898 30 20 CHED C#CCN(CC(F)(F)C(F)F)[C@@H]1CCc2ccccc21 733897408 FKENUFUYTRJNCH-CYBMUJFWSA-N 285.284 3.510 30 20 CHED C=C(Cl)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C 736945241 FSXMXKURIKJOJZ-DGCLKSJQSA-N 253.748 3.756 30 20 CHED CC(C)(C)C#CC(=O)N1CCC(=Cc2ccccc2F)CC1 837461278 BLBTZBWJZIFYNQ-UHFFFAOYSA-N 299.389 3.881 30 20 CHED CC[C@H](N[C@@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 902882692 VGPCQWMZISCVAG-SJORKVTESA-N 284.403 3.701 30 20 CHED C=CC[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccncc1 734236788 GJIRORQWQGFFBC-QMCVQRASSA-N 284.403 3.641 30 20 CHED CCn1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c2ccccc21 839046010 ZOEXLHAMAZBDHN-ZIAGYGMSSA-N 296.370 3.900 30 20 CHED C=CCC(C)(C)CNCc1ccc(-c2cnn(C)c2)s1 583766298 BRCFOIYMMJMTDT-UHFFFAOYSA-N 289.448 3.841 30 20 CHED O=C1/C(=C\c2ccccc2F)COc2ccc(F)cc21 731564873 BFHFPXFIESESGR-XFFZJAGNSA-N 272.250 3.624 30 20 CHED CC(=NNCc1ccccc1)c1nc2ccccc2s1 917574951 SJYJJCWDIMYRJW-UHFFFAOYSA-N 281.384 3.810 30 20 CHED CCOc1cccc(N=Cc2cccc(OCC)c2O)c1 917557549 QPDDQKBMWPKQNT-UHFFFAOYSA-N 285.343 3.940 30 20 CHED Cc1ccc(C(F)(F)F)c(NC(=O)NCCCCC#N)c1 597077541 WHAJXMJKFSCDRT-UHFFFAOYSA-N 299.296 3.829 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2ncco2)cc1C 594361526 MPWIPTUNFGFXKS-INIZCTEOSA-N 283.331 3.528 30 20 CHED Cc1ccc(CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(Cl)c1 839058746 LUMKOZMDHKCBSO-TZMCWYRMSA-N 291.778 3.817 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccc(Cl)nc1 748998620 NBVRBSNFXQHBFA-XQRVVYSFSA-N 287.746 3.948 30 20 CHED CCS[C@@H]1CCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 597342855 HNSVLZXAPJMUMW-UONOGXRCSA-N 294.464 3.641 30 20 CHED O=C(/C=C/c1ccccc1F)c1cnn(-c2ccccc2)c1 746347419 JIXOGJWFEZPOOZ-ZHACJKMWSA-N 292.313 3.908 30 20 CHED CCOc1ccc(O)c(/C=N\CCOc2ccccc2C)c1 917557653 FGJDAEVYGMWUDS-UYRXBGFRSA-N 299.370 3.597 30 20 CHED CSc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)c(C)o1 597342928 SOJRRUONHGFVLI-ZDUSSCGKSA-N 292.404 3.512 30 20 CHED CN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccc(C#N)nc1 593275365 GFPKSGWWZWZBFY-RRQGHBQHSA-N 297.402 3.523 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCCOc2ccccc21 749748311 ASTPKIFHEMEMFB-BRFSQIRFSA-N 267.328 3.725 30 20 CHED C=C(Br)CSc1ncc(C(C)C)n1C 747814500 ZSTYLFBMIDXQNA-UHFFFAOYSA-N 275.215 3.544 30 20 CHED COc1ccc(CCNN=C2CCC[C@H]2C(C)C)cc1 747764676 QJZLXVVPNUALKM-INIZCTEOSA-N 274.408 3.639 30 20 CHED CC(C)c1nc(CN2CCC[C@@](C)(C#N)C2)c2ccccn12 593614690 HBFUJNPNFNFOJO-SFHVURJKSA-N 296.418 3.583 30 20 CHED Cc1cccc(NN=Cc2ccc3ncccc3c2)c1 916255093 AKCMGCAEUCPUOM-UHFFFAOYSA-N 261.328 3.989 30 20 CHED COCc1cccc(CON=Cc2ccccc2F)c1 746558523 RDUJBYYIMACISF-UHFFFAOYSA-N 273.307 3.523 30 20 CHED C=CCOc1ccc(OC(=O)c2cc(C)oc2C)cc1 742860902 OXZRYXVJFGRJMB-UHFFFAOYSA-N 272.300 3.680 30 20 CHED CCC[C@H](N[C@H](C#N)Cc1ccccc1)C(C)(C)C 591242788 KECTZTFVMBRLMU-HOTGVXAUSA-N 258.409 3.926 30 20 CHED CCc1nc(C#N)cc(N2CC[C@H]2c2ccc(Cl)cc2)n1 596138991 QGDONELPOGGXAL-AWEZNQCLSA-N 298.777 3.515 30 20 CHED CN(C(=O)/C=C\C1CCCCC1)c1ccc(C#N)cc1 749151043 RBLPAVCGJDWQKX-XFXZXTDPSA-N 268.360 3.658 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1cnc(C)nc1C 741461765 QFUPHMYVTDRYCG-UHFFFAOYSA-N 294.402 3.808 30 20 CHED CCOCCN(CCCCC#N)[C@H]1CCc2ccccc21 599625178 GNDFVWVDBASAJX-SFHVURJKSA-N 286.419 3.706 30 20 CHED Cc1ccnc(CNc2nc(C(C)(C)C)ccc2C#N)c1 590145680 NJQNLZMBWDTEHX-UHFFFAOYSA-N 280.375 3.566 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2ccnn2CC2CC2)c1 849244701 IRFUWYBIJDWTBJ-WAYWQWQTSA-N 280.371 3.806 30 20 CHED CC[C@H](CC#N)OC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 842342129 GMPGMVOLGVLRJK-TZMCWYRMSA-N 287.359 3.567 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 845626881 ZPJWAUKSBJYOSI-LRDDRELGSA-N 288.391 3.603 30 20 CHED CC(=O)c1ccc(N(C)Cc2cc(C#N)ccc2F)cc1 915212022 SSKNFSWCFUYRFO-UHFFFAOYSA-N 282.318 3.536 30 20 CHED Cc1cc(C#N)ccc1COC(=O)Cc1ccccc1Cl 748905585 CFILSAQDZZRWHB-UHFFFAOYSA-N 299.757 3.806 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1ccc(C#N)cc1F 849847528 YHKPUSVULFSBJF-OAHLLOKOSA-N 281.302 3.659 30 20 CHED Cc1nc(C#N)c(NN=C2CCC[C@@H]2c2ccc(F)cc2)o1 741162369 CZIOFQUJTBMOTA-CYBMUJFWSA-N 298.321 3.729 30 20 CHED C#CCN(Cc1cnn(-c2ccccc2)c1)C1CCCCC1 744213902 UCUNSJKLHVEYMJ-UHFFFAOYSA-N 293.414 3.640 30 20 CHED C=C[C@H](C)ON=C(C)c1ccc(NC(=O)NC(C)C)cc1 844622807 BFZNYBKVXKOUJX-LBPRGKRZSA-N 289.379 3.532 30 20 CHED C=C(C)COC(=O)CSc1cc(C)ccc1C 916587195 NVTMTBQPRSJVHU-UHFFFAOYSA-N 250.363 3.515 30 20 CHED Cc1cccc2[nH]c(CN3CCC(C)(C#N)CC3)cc12 597084239 NEZANWDRZZGKQG-UHFFFAOYSA-N 267.376 3.602 30 20 CHED Cc1cc(C#N)ccc1N1C[C@H](C)C[C@H]1c1cccnc1 846755019 CLKARJBTEAQMMY-ACJLOTCBSA-N 277.371 3.849 30 20 CHED CC(C)N(C)c1ccc(Nc2ncccc2C#N)cc1F 749148011 QHISBWKRCUTUAO-UHFFFAOYSA-N 284.338 3.681 30 20 CHED C[C@H](CCC#N)N1CCC2(CCc3ccccc3O2)CC1 595829657 XZBQJGSGHSDNOS-OAHLLOKOSA-N 284.403 3.538 30 20 CHED CC[C@H](NC(=O)N1CCC[C@H](CC#N)C1)C1CCCCC1 595484694 NANMBRKYRIKLCZ-ZBFHGGJFSA-N 291.439 3.681 30 20 CHED CC[C@H](C#N)C(=O)N1CC(CC)(CC)c2ccccc21 593547455 PTMIWECBKVQHQC-CYBMUJFWSA-N 270.376 3.641 30 20 CHED CCc1oc2ccccc2c1C=NO[C@H](C)c1noc(C)n1 842020485 JTTOHONJJWKGCP-SNVBAGLBSA-N 299.330 3.798 30 20 CHED C=C[C@H](C)ON=C(C[C@@H]1CCOC1)c1ccc(F)cc1 844624767 JEVGUPRVPSLRNR-STQMWFEESA-N 277.339 3.548 30 20 CHED CCCCCCCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 749516092 RRDBAHXDDBBGTF-WMZOPIPTSA-N 278.484 3.906 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ccccn1)CCO2 920365182 PHOSIMWNELVPET-UHFFFAOYSA-N 281.359 3.804 30 20 CHED CC#CCOC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 751723626 FICWSMGPFSHYTQ-UHFFFAOYSA-N 299.757 3.946 30 20 CHED C[C@@H](Cc1ccccn1)N[C@H](CCC#N)c1ccccc1 925601744 OESRDWIOCFYGOB-MAUKXSAKSA-N 279.387 3.647 30 20 CHED C#CC[C@H](Nc1ncnc2ccc(F)cc12)c1ccccc1 756952920 GBDHBIDGTGOUMZ-INIZCTEOSA-N 291.329 3.945 30 20 CHED Cc1ccc(N(CCC#N)C(=O)/C=C/c2ccccc2)cc1 920970237 BLHGAJLNNBIPJK-JLHYYAGUSA-N 290.366 3.955 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)nc2)C1 855438840 PRAHTSHXKMIRMZ-IUCKJTJTSA-N 290.794 3.563 30 20 CHED CCCCC[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1ccccc1 751857507 FCUQVTRJJOEBSD-MRXNPFEDSA-N 295.386 3.938 30 20 CHED C=CC(C)(C)CCOC(=O)c1ncccc1CSC 851299989 HXKKVZDCDOAQQW-UHFFFAOYSA-N 279.405 3.704 30 20 CHED Fc1cccc(NN=Cc2cnc([C@@H]3CCCO3)s2)c1 755663290 VGGRQVKBFXMLLI-ZDUSSCGKSA-N 291.351 3.580 30 20 CHED CC(C)(C)C=NNc1ccc([N+](=O)[O-])cc1Cl 755689757 SFLGHQOEJTXDHQ-UHFFFAOYSA-N 255.705 3.692 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc2ccccc2[nH]1 926341199 CSBSSXNYEHRXBK-SIIHOXLZSA-N 284.403 3.800 30 20 CHED CC[C@H](C#N)OC(=O)CCc1ccc(-c2ccccc2)o1 753416269 PEMXMPFITHOIFH-CQSZACIVSA-N 283.327 3.725 30 20 CHED C=CCC(F)(F)C(=O)NC1CCC(C2CCC2)CC1 856254378 ATFDHPKMALGZRK-UHFFFAOYSA-N 271.351 3.673 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C1CCN(C2CC2)CC1 851143291 KKTJLEIQDVWBDG-PBHICJAKSA-N 291.435 3.539 30 20 CHED CO[C@H](C=NNc1nc2ccccc2s1)C1CCCC1 853256651 WJZAMEGHYMWXAT-CYBMUJFWSA-N 289.404 3.899 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1cccc(-c2csc(C)n2)c1 854697429 BSVHIBANTFSPEQ-KRWDZBQOSA-N 298.411 3.650 30 20 CHED Cc1ccsc1COC(=O)CC1(C#N)CCCCC1 850928724 PEAHRUNMJSAJJH-UHFFFAOYSA-N 277.389 3.964 30 20 CHED C=CCCOCC(=O)Oc1ccccc1[C@@H](C)CC 920788681 MWLHHBMYWWPNER-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED C#Cc1ccccc1C(C)=NNc1ccc(OC)cc1 753714813 PUQSIIXHACLALP-UHFFFAOYSA-N 264.328 3.513 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1nc2cc(C)ccc2s1 859689871 YFGAZAXWYKQWKY-OAHLLOKOSA-N 288.372 3.588 30 20 CHED Cc1cnccc1COC(=O)c1ccc(C(C)(C)C#N)cc1 859675200 UYTQIENWLKIRJE-UHFFFAOYSA-N 294.354 3.548 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](C)c1ccccc1Cl 753207896 RBAWMGKGJMHHDG-VXGBXAGGSA-N 278.783 3.502 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(C2CC2)[C@@H](C)C#N)cc1 855582990 ROISRKGFZWGKFA-STQMWFEESA-N 270.376 3.717 30 20 CHED CC[C@@H]1CC[C@@H](C)N(c2snc(Cl)c2C#N)C1 853872751 GFODGUMTFCUGBN-RKDXNWHRSA-N 269.801 3.683 30 20 CHED C#C[C@@H](CC)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 754390545 VZGYRSWQIZEPBU-LSDHHAIUSA-N 277.795 3.608 30 20 CHED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 751972008 MBEVBVVWXLKDBX-CABCVRRESA-N 286.375 3.693 30 20 CHED ClC1(Cl)C[C@@H]1C=NNc1nccc2sccc12 853294379 NQDDLWKGFUEVLN-SSDOTTSWSA-N 286.187 3.888 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 933828472 TWOPVCAHKGAVMT-INMHGKMJSA-N 287.403 3.577 30 20 CHED Clc1ccc(NN=C[C@@H]2CC2(Cl)Cl)cc1 853255169 VCCNNYIHMUOKNN-ZETCQYMHSA-N 263.555 3.932 30 20 CHED CCC1(CC)C(=NNc2ccc(OC)cc2)C[C@@H]1OC 750946548 SWMGDRCDVJRHJX-HNNXBMFYSA-N 276.380 3.688 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCC=C(Cl)Cl 853784616 TUXQZIOOMNLYNZ-JTQLQIEISA-N 294.247 3.628 30 20 CHED CCc1ccccc1NN=C(C)c1cncc(C)c1 767355831 JPPOTASYOZSZRO-UHFFFAOYSA-N 253.349 3.789 30 20 CHED CCSCCSCc1cccc(C#N)c1F 760516585 VWIVPEBLFIYJEJ-UHFFFAOYSA-N 255.383 3.684 30 20 CHED C#CCCCOC(=O)[C@@H](c1ccccc1)[C@H](C)CC 766864752 YTNPYNORRJAFLG-GDBMZVCRSA-N 258.361 3.773 30 20 CHED C#CCC(C)(C)C(=O)OCc1nc(-c2ccccc2)oc1C 767645356 WKYGGGCGQYZVCA-UHFFFAOYSA-N 297.354 3.743 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc2c(c1)CCCC(=O)N2 931898945 BXGLKDFAXMYYKQ-LBPRGKRZSA-N 286.375 3.502 30 20 CHED C=C(C)C[C@@H](NCc1cccc(Cl)c1Cl)C(=O)O 864530682 JYQCWLVXIHUVIR-LLVKDONJSA-N 288.174 3.502 30 20 CHED C[C@@H]1CCCCC1=NNCc1cnc2ccccc2c1 764778274 IYAMFKJFPLCZOK-CYBMUJFWSA-N 267.376 3.891 30 20 CHED C=CCCSCCOc1ccc(/C=C\C(=O)OC)cc1 767865567 HANALXKSYRZUGI-YFHOEESVSA-N 292.400 3.561 30 20 CHED CCCCCCCNC(=O)C[C@@H](C)n1nc(C)cc1C 862360726 ZBPZANSGSQXGSL-OAHLLOKOSA-N 279.428 3.538 30 20 CHED C=C1CCN(C(=O)Nc2c(C)cccc2Cl)CC1 864253343 SLVLCYCSHOQTHN-UHFFFAOYSA-N 264.756 3.832 30 20 CHED CO[C@@H](C)C(C)=NNc1cc(Cl)ccc1Cl 763178011 BJFHLNNXCOQHRH-QMMMGPOBSA-N 261.152 3.816 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(C(F)F)cc2)cc1 764489622 DHKSFVCKEGHDBK-UHFFFAOYSA-N 287.265 3.853 30 20 CHED C#Cc1ccc(NC(=O)NC[C@H]2CCCC(F)(F)C2)cc1 934928409 VYJHHAPCOAMSAM-ZDUSSCGKSA-N 292.329 3.615 30 20 CHED C=CC1CCN(C(=O)[C@H](C)CCc2ccc(F)cc2)CC1 865699321 PMWNVPGTWYPVBL-CQSZACIVSA-N 289.394 3.819 30 20 CHED CCC(=NNCc1ccc(C#N)cc1)c1cc(F)ccc1F 769812885 AQUSEIDWSHXLEV-UHFFFAOYSA-N 299.324 3.740 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(F)cc1F 767335928 JBBHPNBJXGYJIB-UHFFFAOYSA-N 271.270 3.673 30 20 CHED CCc1ccc(C=NNc2ncnc3ccsc23)s1 764836387 YYJFFJRUGXPDDZ-UHFFFAOYSA-N 288.401 3.761 30 20 CHED Cc1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)cs1 1119282615 KDBKOMSELOVGCG-UHFFFAOYSA-N 282.368 3.599 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(COC)o1 764697402 CZVOKPGHBRSVMJ-CYBMUJFWSA-N 266.385 3.708 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)c(OC)cc1C 879532670 VJVUAQOGZUBCNZ-UHFFFAOYSA-N 265.328 3.684 30 20 CHED C[C@@H](NN=Cc1ccc(N2CCCC2)cc1)C(C)(C)C 1117678752 GVHHNBZDZTUXLP-CQSZACIVSA-N 273.424 3.645 30 20 CHED Cc1ccnc(Cl)c1OCc1cn2ccccc2c1C#N 771447762 QYZAMJNBXIDVOH-UHFFFAOYSA-N 297.745 3.747 30 20 CHED CCOc1ccccc1C(=O)O[C@@H](C#N)C1CCCCC1 776358931 ASJHGOZMLNBIHD-INIZCTEOSA-N 287.359 3.715 30 20 CHED C#CCCCCC(=O)O[C@H](C(=O)c1ccccc1)C(C)C 773627344 KMRIOCHVQOWZLV-SFHVURJKSA-N 286.371 3.631 30 20 CHED COc1cc(NC[C@H](C)CCC#N)cc(Cl)c1OC 877610973 ULRSKAQFIJBOGK-SNVBAGLBSA-N 282.771 3.709 30 20 CHED CC(C)(C)CCCC(=O)OCc1cccc(C#N)c1F 774944273 ASHZCNMGBJWCHI-UHFFFAOYSA-N 277.339 3.957 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccc(C)nc1C 772987504 JCMGKELPPDMVNI-OAHLLOKOSA-N 294.398 3.561 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccoc2)c1 772982592 DOWZRMJTDWUIKU-XJKSGUPXSA-N 284.359 3.811 30 20 CHED Cc1cc(C)c(N)c(C(=O)O[C@H](C#N)C2CCCCC2)c1 776381425 HDOKPHNIYIMLQL-OAHLLOKOSA-N 286.375 3.515 30 20 CHED C=C(C)CN(C)C(=O)/C=C(\CC)c1ccc(C)cc1 778122738 UJRCYUANQPWLAX-RVDMUPIBSA-N 257.377 3.823 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])c1 772805951 JKMYKPQRSPUKQF-ZZXKWVIFSA-N 297.310 3.813 30 20 CHED Cc1cc(CNc2cccc(CC#N)c2)ccc1C#N 1560476059 WVUFGKBWIVBWNT-UHFFFAOYSA-N 261.328 3.545 30 20 CHED CCc1noc(C2CCC(=NNCC(CC)CC)CC2)n1 774470961 FHOQMFWQSDJLAM-UHFFFAOYSA-N 292.427 3.671 30 20 CHED C#CCCCCCC(=O)N[C@@](C)(CC)c1nc(C)cs1 779962049 ZRUPMLZMZWMEOL-INIZCTEOSA-N 292.448 3.777 30 20 CHED C#CCOc1ccccc1CN[C@H](C)CCCC(F)(F)F 775522839 BWAOBGOSGBTTAS-CYBMUJFWSA-N 299.336 3.909 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccc(F)cn1 770594188 HRWQAWGSMFVRSC-UHFFFAOYSA-N 280.306 3.605 30 20 CHED Cc1ccc(N2CCC(OC3CCCCC3)CC2)c(C#N)n1 881871591 OMOMLJPTPBOLMV-UHFFFAOYSA-N 299.418 3.580 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCC[C@@H](C)CC2)c1 785474907 KWBPGBYZQBEJPE-HIFRSBDPSA-N 286.444 3.923 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc(Cl)c1 782023785 SDPANZBYDAQQTA-UHFFFAOYSA-N 265.740 3.827 30 20 CHED CC(C)[C@H]1C[C@@H](CC(=O)OCCCC(C)(C)C#N)CCO1 784650680 XHIMJTATLGVOQE-LSDHHAIUSA-N 295.423 3.701 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1cccc(O)c1 782303546 MFUUFMXDDQNLCM-SREVYHEPSA-N 271.341 3.622 30 20 CHED C(=NOC1CCCCC1)c1c[nH]nc1-c1ccsc1 780241646 SGDHDGKYAADVAZ-UHFFFAOYSA-N 275.377 3.821 30 20 CHED C=C1CCC(C(=O)N2Cc3ccccc3C[C@@H]2C)CC1 889210561 OHERVVSSGDUSQU-AWEZNQCLSA-N 269.388 3.706 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCCCC(C)(C)C 782443340 YQEYXHDMPNLLIJ-HNNXBMFYSA-N 256.386 3.585 30 20 CHED Cc1cccnc1C=NNc1ccc(Br)cc1 781589755 NLVYPPXCOKHPKU-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(F)c(C(F)(F)F)c1 786655180 JRDJNHSZAMCPCV-UHFFFAOYSA-N 288.240 3.799 30 20 CHED CC(C)(NCc1ccc(Cl)cc1C#N)C1CCOCC1 786157180 LRLZGXYZKIFLGP-UHFFFAOYSA-N 292.810 3.506 30 20 CHED CCCCCCCC(=O)OCc1nnc(-c2ccco2)o1 782988913 YIYLJQVWLNPHRH-UHFFFAOYSA-N 292.335 3.733 30 20 CHED C#CCCN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 782565569 ZPOYOCVFGGHYNS-ZFWWWQNUSA-N 281.321 3.954 30 20 CHED C#CCCN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 780392195 KSDUCSBHFGYMHT-LLVKDONJSA-N 295.226 3.922 30 20 CHED N#CC1(CCCC[S@@](=O)C2CCCCC2)CCC1 899281222 XXWFXQNHDVZCPG-GOSISDBHSA-N 267.438 3.932 30 20 CHED COC(=O)c1c[nH]c2cc(N[C@@H](C)CC(C)(C)C#N)ccc12 895567457 PUIHGSFTDBLRIT-NSHDSACASA-N 299.374 3.695 30 20 CHED C=C1CCC(c2nc(-c3coc(CCC)n3)no2)CC1 896303058 VMPSBFTYRGOVBS-UHFFFAOYSA-N 273.336 3.891 30 20 CHED C[C@@H]1C[C@@H](CC/N=C\c2cc3ccccc3nc2O)CCO1 783685563 PBOGMELHFZARGN-XYCUDVCBSA-N 298.386 3.565 30 20 CHED C=CCCCCCOC(=O)c1coc(CCC)n1 786510910 HWNMCAUNJBPOMO-UHFFFAOYSA-N 251.326 3.530 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 890453430 KRUBINCAPNWAAX-AWEZNQCLSA-N 297.402 3.637 30 20 CHED C=C1CCC(c2nc(C3(COC)CCCC3)no2)CC1 896438933 AVYIXEGWJGZJCJ-UHFFFAOYSA-N 276.380 3.742 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H](C)c1cccc(C#N)c1 796461202 AXHRDTYXVMIOTP-LBPRGKRZSA-N 257.333 3.765 30 20 CHED CCC[C@H]1CCCN(C(=O)c2ccc(C)c(C#N)c2)C1 799348782 PDNLXUIFAHMCDN-AWEZNQCLSA-N 270.376 3.519 30 20 CHED C[C@@H](NN=Cc1cccc(Cl)c1F)C(C)(C)C 793112162 QURHUQWRVHNLBH-SECBINFHSA-N 256.752 3.837 30 20 CHED C#C[C@H](NC(=O)C[C@H](C)c1ccc(CC)cc1)C(C)C 799048353 GZFLNWQZQOIGPX-YOEHRIQHSA-N 271.404 3.517 30 20 CHED C[C@@H]1C[C@@H](Nc2c(Br)cccc2C#N)CS1 1307143102 YKBUUJVDYFJICU-PSASIEDQSA-N 297.221 3.627 30 20 CHED C=C(Cl)CNC(=O)Nc1nc2cc(F)c(C)cc2s1 797674284 XVFZFNRILXBJFO-UHFFFAOYSA-N 299.758 3.618 30 20 CHED C=C(C)CCOC(=O)c1ccc(C(C)(F)F)cc1 796247772 NROHZKOYSPOVQN-UHFFFAOYSA-N 254.276 3.921 30 20 CHED CC[C@@H](C)CON=Cc1sc(Cl)nc1Cl 793158142 DEOUJXPZTLTBFG-ZCFIWIBFSA-N 267.181 3.847 30 20 CHED CC(C)C[C@@H](C)OC(=O)C(C)(C)c1cc(F)cc(C#N)c1 796874794 RAXICHFCXMYQJM-GFCCVEGCSA-N 291.366 3.953 30 20 CHED N#Cc1ccc(O)c(NC(=O)c2ccc(C3CCC3)cc2)c1 790821046 FLNMHBFAQAEVGW-UHFFFAOYSA-N 292.338 3.784 30 20 CHED Cc1ccc(C)c(OC(=O)c2cc(C#N)oc2C)c1C 798211541 FWFJRGYUDIQFRD-UHFFFAOYSA-N 269.300 3.604 30 20 CHED Cc1ccc(OC(F)F)c(C=NN[C@@H](C)C(C)(C)C)c1 793115616 SBUZNPBKIQXPOI-NSHDSACASA-N 284.350 3.955 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CCC)[C@@H]1CCc2ccccc21 791069428 KWSVTHGYGOYNIV-FUHWJXTLSA-N 298.430 3.897 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C 1214367742 GNNOLRVRLDRYOD-WDEREUQCSA-N 291.782 3.864 30 20 CHED C[C@H](c1cccs1)N(C)C(=O)c1csc(C#N)c1 1141812322 RDNKZVGSBBYNQY-SECBINFHSA-N 276.386 3.514 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccccc2nc1Cl 1152405487 MYGJPHJDPZBUBT-UHFFFAOYSA-N 288.778 3.926 30 20 CHED CCc1nnc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(C#N)c1CC 1306965590 LZLLAXUYKFIYAQ-BFHYXJOUSA-N 298.434 3.854 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1Cl)[C@@H]1CC1(C)C 1163529977 DWFKOSGVRJWEQU-CMPLNLGQSA-N 263.772 3.843 30 20 CHED COc1cc(C=NNCc2ccccc2Cl)ccc1F 1319468164 PBOGBIVDUQRPKD-UHFFFAOYSA-N 292.741 3.611 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCCC[C@H]1N(C)C 1319212199 RFOWCBFEAMONGE-ARFHVFGLSA-N 252.446 3.584 30 20 CHED CC(CCC1CCCCC1)=NNC(=S)NC(C)C 1318463416 NWXGXNKBDLXYBV-UHFFFAOYSA-N 269.458 3.595 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1ccc(O)cc1 1319113505 TYCBRZIPOJQNGM-VZUCSPMQSA-N 264.324 3.777 30 20 CHED C=CCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 76154180 HGITVTYIEHAZFZ-IRXDYDNUSA-N 254.377 3.724 30 20 CHED CC(C)(C)C1CCC(=NNc2nncc(N)c2Cl)CC1 1319752585 UJPHOGKYOZOKFT-UHFFFAOYSA-N 295.818 3.716 30 20 CHED CCN(CCC#N)Cc1nc2ccccc2c(C)c1Cl 81040920 CPCBUCGLSHRESB-UHFFFAOYSA-N 287.794 3.932 30 20 CHED C[C@@H]1CC[C@H](c2nnc(-c3ccc(C#N)cc3)o2)C1 1326933318 XANDHUJAWHDFRL-MFKMUULPSA-N 253.305 3.512 30 20 CHED C[C@@H](CCC#N)Sc1ccc(Br)cn1 188302054 PCCDFJSSBZZZNJ-QMMMGPOBSA-N 271.183 3.628 30 20 CHED CC(C)C[C@H](C)OCCc1nnc(-c2cccc(C#N)c2)o1 1322997893 XZNOCFMNWZFVFA-ZDUSSCGKSA-N 299.374 3.602 30 20 CHED CCC1(CC)CN(c2ccnc(C#N)n2)c2ccccc21 1185875083 RRJTUXXDGLGOBQ-UHFFFAOYSA-N 278.359 3.558 30 20 CHED C=CC1CCN(c2nnc(-c3ccc(C)cc3C)n2C)CC1 1339594833 IXKNANXTXGKBKB-UHFFFAOYSA-N 296.418 3.501 30 20 CHED CCN(CC)Cc1cc(C(C)=NOC(C)(C)C)ccc1O 1336229435 SQIWFVZUMWDDGM-UHFFFAOYSA-N 292.423 3.773 30 20 CHED C=C(C)CCC(=O)Nc1cc(NC(=O)C2CC2)ccc1C 1335718693 XESKAAOSXXDPSL-UHFFFAOYSA-N 286.375 3.638 30 20 CHED C=CCN(CCOC)Cc1cc(Cl)cc(Cl)c1 576862065 CRGWISFTGJKYNL-UHFFFAOYSA-N 274.191 3.628 30 20 CHED C#Cc1cccc(NC(=O)C2CCC3(CC2)CC3)c1 695642881 ODRNRNRZVMJLIB-UHFFFAOYSA-N 253.345 3.577 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1CCC[C@@H](OC)C1 1337550891 LWKAIZNBFUAPIG-ARFHVFGLSA-N 279.424 3.539 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc2cnccc12 1349866005 XZCGETQTEPFHTK-OAHLLOKOSA-N 280.371 3.806 30 20 CHED CCC1(C(=O)O[C@@H](CC#N)c2ccco2)CCCC1 1345982446 RGWAJHWRHTWNFE-ZDUSSCGKSA-N 261.321 3.748 30 20 CHED N#CCc1cccc(N[C@@H]2CCCc3c(F)cc(F)cc32)n1 1347839192 DMLVEHVEBPLTRQ-MRXNPFEDSA-N 299.324 3.915 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)O[C@@H](C)C(C)(C)C#N 1345132867 RVANQQDGSKRLII-OLZOCXBDSA-N 259.349 3.580 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(C)cc(C)n1 1350083440 GYVHTYQEPWMDCR-AWEZNQCLSA-N 273.380 3.661 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C)c(C)c1Cl 1518549654 NLKGBPSUBVHJCZ-LBPRGKRZSA-N 278.783 3.721 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 1294731338 RYBHFASDGRYWOE-CQSZACIVSA-N 292.329 3.535 30 20 CHED C=C(CC)C(=O)Nc1c(C)cccc1OC(F)F 1520933206 XJALZITVBYBMDG-UHFFFAOYSA-N 255.264 3.501 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1csc(C#N)c1 1529824711 ONJZEWJPPQLPFI-WFASDCNBSA-N 290.432 3.954 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2ccc(Cl)s2)o1 1602331180 WRDCAVHNAZVGKA-IWQZZHSRSA-N 282.704 3.589 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1C[C@H]2CCC[C@@H]21 1539776201 XAUINDPSYSHXSG-RTXFEEFZSA-N 294.830 3.533 30 20 CHED C=CC[C@H](CC)N[C@@H](C(=O)O)c1c(F)cccc1Cl 1609290786 XQUOFLHVVYMAPZ-TVQRCGJNSA-N 285.746 3.549 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccc(C#N)s2)c1 1613834235 SAHFSSGSFMOWBJ-UHFFFAOYSA-N 274.732 3.724 30 20 CHED CN(Cc1ccoc1)c1c(C#N)cnc2c(Cl)cccc12 1472666441 NKVZYGPLWXGOSI-UHFFFAOYSA-N 297.745 3.989 30 20 CHED N#Cc1c(CSc2ccccc2)cccc1C(=O)O 1610625464 VLQPAUGDPHBNIJ-UHFFFAOYSA-N 269.325 3.549 30 20 CHED C[C@H](NCc1cc(O)cc(Cl)c1)c1ccc(C#N)cc1 1648945695 CJMQIYLBNQRGIR-NSHDSACASA-N 286.762 3.768 30 20 CHED CSc1ccc(Cl)c(NC(=O)c2cc(C#N)c[nH]2)c1 1641327860 RYHZEEDZIMBOCE-UHFFFAOYSA-N 291.763 3.514 30 20 CHED CCCCCCCCNc1c(C#N)cccc1-c1nn[nH]n1 1577506095 RCEKALVAESBMRC-UHFFFAOYSA-N 298.394 3.511 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 5129150 MQLQQXYOTCEOBS-SOFGYWHQSA-N 266.296 3.620 30 20 CHED N#Cc1ccc(CCN2CCC=C(c3ccccc3)C2)cc1 1653565088 RLJJSQSGNUUPSX-UHFFFAOYSA-N 288.394 3.890 30 20 CHED Cc1nc(C#N)cc(N[C@H](c2ccc(F)cc2)C2CCC2)n1 1655109269 IJEFIMXHYQUOFZ-KRWDZBQOSA-N 296.349 3.749 30 20 CHED C[C@@H]1CC[C@@H](CNc2ncc(C#N)cc2Br)C1 1651033098 QZTLXMAYKRGCMX-NXEZZACHSA-N 294.196 3.564 30 20 CHED CCC[C@H](C)N1CCN(c2ccc(C#N)cc2Cl)CC1 1658458520 VDQYQUYTSDKVOF-ZDUSSCGKSA-N 291.826 3.522 30 20 CHED CC(C)(CNC(=O)Nc1ccc(C#N)cc1)C1CCCC1 1666946268 PSHCBZXJFKZIQU-UHFFFAOYSA-N 285.391 3.896 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@H](C)c2ccccc2)c1 1672285024 ACANETGQYCNXCR-AWEZNQCLSA-N 293.370 3.792 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCC(C)(C)CC#N 1678523517 JSJGRSLTZQQAAP-LSDHHAIUSA-N 293.455 3.830 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1ccc(/C=C/C(=O)O)o1)C2 1777455683 MHVSJFUCPBDTIJ-JXQIQDKBSA-N 294.306 3.508 30 20 CHED C=CCCC1(C(=O)O)CCN([C@H]2C[C@@H]2c2ccccc2)CC1 1776168446 PHSWWDSYFVVMQM-SJORKVTESA-N 299.414 3.676 30 20 CHED O=C(O)c1cc(NN=C2C[C@@H]3CC=CC[C@@H]3C2)ccc1F 1776064946 NOSQORHFFSWPFZ-PHIMTYICSA-N 288.322 3.668 30 20 CHED CCC(CC)(CC)CNC(=O)CCc1ccc(C#N)cc1 150875630 WZJAYEUIKFWNNX-UHFFFAOYSA-N 286.419 3.823 30 20 CHED Cc1ccccc1/C=C/C(=O)c1ccc(C(=O)O)s1 7333313 PRIIMVFIAMDWOA-VOTSOKGWSA-N 272.325 3.651 30 20 CHED CC(=O)c1ccc2cc(OC[C@H](C#N)CCC#N)ccc2c1 155238807 KILBZEVPOMLDHR-AWEZNQCLSA-N 292.338 3.865 30 20 CHED N#CC1CCN(Cc2ncc(-c3ccccc3)s2)CC1 157170009 JWISTCCXWNBTRP-UHFFFAOYSA-N 283.400 3.546 30 20 CHED C#CCCCCNC(=O)c1oc2c(C)ccc(C)c2c1C 156364794 YIHWVWXMMAXKDX-UHFFFAOYSA-N 283.371 3.891 30 20 CHED Cc1ncsc1/C=C/C(=O)c1cc(Cl)ccc1O 156679731 DCZFTSWVSWNIGW-SNAWJCMRSA-N 279.748 3.707 30 20 CHED CC1(CNc2ncc(C#N)cc2Cl)CCCCC1 1651115797 CHVYENFSUVDSFN-UHFFFAOYSA-N 263.772 3.989 30 20 CHED Cc1ccc(C)c(CN2CCc3ccc(C#N)cc32)c1 1654032508 RLVDUPCMIHQJJI-UHFFFAOYSA-N 262.356 3.738 30 20 CHED Cc1ccccc1NC(=O)Nc1cc(F)cc(C#N)c1 1202187318 HRTIXBMBTQZMCU-UHFFFAOYSA-N 269.279 3.650 30 20 CHED CS[C@@H]1CCC[C@H](Nc2nc3c(cc2C#N)CCC3)C1 227358357 XBJJXIPBUSZKCY-UONOGXRCSA-N 287.432 3.528 30 20 CHED COc1cc(CNc2ccc(SC)cc2)ccc1C#N 234906396 CWFACJXQBYBDQL-UHFFFAOYSA-N 284.384 3.901 30 20 CHED C[C@@H]1C[C@@H](C)N(c2ccc(C(F)(F)F)c(C#N)c2)C1 128013336 IETHBQYEHYPHSE-NXEZZACHSA-N 268.282 3.812 30 20 CHED C=CCC[C@@H](C)Nc1ccc(N2CCCC2=O)cc1 130595318 INXCYONUANUCNI-CYBMUJFWSA-N 258.365 3.580 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)NCc1cccc(C#N)c1 36937505 NFHWQXVGYDDJIY-ZDUSSCGKSA-N 284.790 3.932 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCSc1ccc(C)c(C)c1 162075972 SQDMVDYRYUJZTQ-INIZCTEOSA-N 290.432 3.594 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Cc1ccsc1 45935035 VFLXRMYOUHXDIO-UHFFFAOYSA-N 271.385 3.505 30 20 CHED N#Cc1ccc(COc2cc(F)cc(F)c2)c(F)c1 52215638 YTAKOPMKLWLDHG-UHFFFAOYSA-N 263.218 3.555 30 20 CHED CC1(C)CN(c2nc(Cl)c(C#N)s2)[C@@H]2CCC[C@H]21 294022212 KUBSXRNGKJTNCQ-RKDXNWHRSA-N 281.812 3.683 30 20 CHED C=CCC[C@@H](CC)NCCSCC(F)(F)F 309480663 SXOZDASFJOZISM-SNVBAGLBSA-N 255.349 3.616 30 20 CHED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1Br 309849480 IKEFXLBEHGWTKR-QWRGUYRKSA-N 279.181 3.862 30 20 CHED C[C@H](c1ccco1)N(C)Cc1ccc(C#N)cc1Cl 439431540 NKMQSUOKAYUPHX-LLVKDONJSA-N 274.751 3.998 30 20 CHED CCCCCCCNCc1cccc2c1OCCO2 703779015 XUAFPXQVRLZFNW-UHFFFAOYSA-N 263.381 3.518 30 20 CHED C=C(CNCc1cc(F)c(F)c(F)c1)c1ccccc1 590301413 DPGJKOHRSKYKOY-UHFFFAOYSA-N 277.289 3.907 30 20 CHED C=CC[C@H](CC)NCc1cc(Cl)ccc1OC 393761647 MBQDVGVZEKYQQM-ZDUSSCGKSA-N 253.773 3.793 30 20 CHED C=CCSCCN[C@H](C)[C@@H]1CC2CCC1CC2 394212037 BURWLYKNWJBEPY-URGYJCLVSA-N 253.455 3.710 30 20 CHED CC(C)Oc1ccc(NCc2ccc(C#N)cc2)cc1 20472872 WOAUOMGLTZHHAQ-UHFFFAOYSA-N 266.344 3.958 30 20 CHED C[C@H](NCCc1ccc(F)cc1)c1cccc(C#N)c1 37196028 MAWHRFDZYYGHGX-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED N#Cc1cccc(OCc2ccc(Cl)c([N+](=O)[O-])c2)c1 37404171 HZRYDKHUWMGSJQ-UHFFFAOYSA-N 288.690 3.699 30 20 CHED Cc1ccccc1CC(=O)[C@H](C#N)c1nc2ccccc2o1 41544590 LLXNOZKBEPTCIU-AWEZNQCLSA-N 290.322 3.555 30 20 CHED N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1 42678094 BDXVIXVSMDHMLB-UHFFFAOYSA-N 294.329 3.758 30 20 CHED C=CCNC(=O)Nc1cccc(Oc2ccccc2)c1 42925758 BVYJYHIFLRQKRC-UHFFFAOYSA-N 268.316 3.786 30 20 CHED CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 45165129 XZKHIVMCCBXYJN-UHFFFAOYSA-N 296.395 3.600 30 20 CHED N#Cc1c(Cl)nsc1N[C@H]1CCc2cc(F)ccc21 49322270 RPIUEJLHNJBYAM-NSHDSACASA-N 293.754 3.907 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(C)n(C2CC2)c1C 58287757 ZCEHJLUASHJVNZ-UHFFFAOYSA-N 293.370 3.872 30 20 CHED CCCCCCCCNc1ccccc1S(C)(=O)=O 59460302 KRXVZBGKEDZKCK-UHFFFAOYSA-N 283.437 3.863 30 20 CHED N#Cc1cc2c(nc1N1CCC3(CCCC3)CC1)CCC2 62959429 VMBODFFZTKKXEQ-UHFFFAOYSA-N 281.403 3.603 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)COC2 64388927 RBSQXVUVPKRISH-UHFFFAOYSA-N 293.366 3.545 30 20 CHED C=C(C)COc1cccc(NC(=O)C2CCCC2)c1 66463568 FFNZPANDJDKQJD-UHFFFAOYSA-N 259.349 3.770 30 20 CHED C=CCCC(=O)N1CCC[C@H](c2ccccc2)CC1 66762609 YBTMZXRJCOAGOU-INIZCTEOSA-N 257.377 3.749 30 20 CHED C=CCCOc1ccc(NC(=O)c2ccccc2OC)cc1 77238659 HJJUBMWWLUUHJQ-UHFFFAOYSA-N 297.354 3.902 30 20 CHED C=CCN(CCC(F)(F)F)Cc1ccccc1F 77268911 OLSHLMKTCWVBGV-UHFFFAOYSA-N 261.262 3.766 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCC(C)(C)CCO)c2c1 78688700 IWOWOTHVQSMJFN-UHFFFAOYSA-N 297.402 3.544 30 20 CHED N#CCCCC[S@](=O)Cc1ccc(Cl)cc1Cl 78701918 CMYJHUQREBBMRT-QGZVFWFLSA-N 290.215 3.936 30 20 CHED C[C@H](C(=O)O[C@H](C#N)C1CC1)c1ccc2ccccc2c1 84695807 ZJRFGFMZEYUEGQ-YVEFUNNKSA-N 279.339 3.789 30 20 CHED C[C@@H]1CN(c2snc(Cl)c2C#N)[C@@H]1c1ccccc1 92658537 WYMSNXKDPPTNQC-SKDRFNHKSA-N 289.791 3.866 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(C#N)cs1 93383645 NQJUMCPYCYYTJN-ZLDLUXBVSA-N 260.406 3.773 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CSc2ccccc21 97635661 DXXMEXZGLUIRRE-CQSZACIVSA-N 270.332 3.956 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 103249785 HPYLAFDMAZCFLV-BRADTZPFSA-N 277.323 3.874 30 20 CHED CCCCCCCNCc1ccc(NC(C)=O)cc1 106279277 VFZDPISKMPVASE-UHFFFAOYSA-N 262.397 3.705 30 20 CHED CC(C)(C)c1noc(CCCCOc2cccc(C#N)c2)n1 113711738 PQNHFZAMGVAUOP-UHFFFAOYSA-N 299.374 3.640 30 20 CHED C=CC[C@H](C)NCc1nc2ccccc2n1CCC 119310024 JDJGKERVKNQBHE-ZDUSSCGKSA-N 257.381 3.501 30 20 CHED C#CCCCCC(=O)Nc1ccc(SC(F)F)nc1 120032584 DAOOEKZCEGSHDI-UHFFFAOYSA-N 284.331 3.528 30 20 CHED C#CCCCCC(=O)N[C@@H](c1ccccc1)c1nccs1 120104982 LOZBPWWHCFJDRP-INIZCTEOSA-N 298.411 3.542 30 20 CHED CCc1oc2ccccc2c1C(=O)N(CC)C[C@H](C)C#N 120225346 SFCJRHIPLXHXQO-GFCCVEGCSA-N 284.359 3.617 30 20 CHED C=CCC[C@@H](NCc1ccn(-c2ccccc2)n1)C1CC1 120645604 DOSLSZLGVGHXOT-GOSISDBHSA-N 281.403 3.707 30 20 CHED CC1(CC(=O)N(CCC#N)Cc2cccnc2)CCCCC1 121012752 SNMJRRREVCGIQY-UHFFFAOYSA-N 299.418 3.684 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2cc(F)cc(F)c2)c1 121049535 LRFVWLFMHISPFS-SNAWJCMRSA-N 269.250 3.733 30 20 CHED C=CCC[C@H](NC[C@H](C[C@H](C)O)c1ccccc1)C1CC1 121667143 KLCSOJCJCDUCBI-SNRMKQJTSA-N 287.447 3.876 30 20 CHED C=CCN(CC=C)C(=O)CS[C@H](C)c1ccccc1F 121982963 GEWAWYUFIJXCAI-CYBMUJFWSA-N 293.407 3.821 30 20 CHED CC[C@H](C#N)Nc1cccc(Cl)c1OC(C)C 122244034 AUQZPPXMAJSVBV-SNVBAGLBSA-N 252.745 3.841 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Cl)cc1Cl 122355661 QYYLGQAWOYZYQT-UHFFFAOYSA-N 259.136 3.643 30 20 CHED CCC[C@H]1SCCN1C(=O)c1ccc(C#N)c(Cl)c1 127228269 FYOJPLSMTQNVCM-CYBMUJFWSA-N 294.807 3.527 30 20 CHED C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 130502628 IBSIAROABIQHIP-YJBOKZPZSA-N 292.382 3.951 30 20 CHED C=CCCC(=O)O[C@H](C)c1c(F)cccc1-n1cccn1 130956850 AAOZWMGMKHUKLH-GFCCVEGCSA-N 288.322 3.582 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccc(C#N)cc1 133787788 OILNYOBGTCEOPB-UHFFFAOYSA-N 276.339 3.938 30 20 CHED N#Cc1ccc(CNc2cccc(OC(F)F)c2)s1 135684279 YPOHHDXWADPRNV-UHFFFAOYSA-N 280.299 3.833 30 20 CHED N#Cc1ccccc1Oc1nccc(Oc2ccccc2)n1 149702734 PXQHLRLSFNBLAT-UHFFFAOYSA-N 289.294 3.933 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)Cc1ccc(C)s1 150782190 XHHNOYPXJHDQRT-GFCCVEGCSA-N 277.433 3.872 30 20 CHED CC(C)c1ccc(N(C)C(=O)C2(C#N)CCCC2)cc1 155739279 UYFTXITYIUYZFB-UHFFFAOYSA-N 270.376 3.857 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C)c(Br)cc1C 157126672 HJFAALBUIYBOIG-NSHDSACASA-N 296.208 3.760 30 20 CHED CCCn1ccc2cc(NC(=O)N[C@H](CC)CC#N)ccc21 157384749 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C=CCN(CC=C)C(=O)[C@H](C)c1cc2ccccc2o1 175867594 GZARDYVBZGJXJY-CYBMUJFWSA-N 269.344 3.737 30 20 CHED CN(CC#Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 177021520 TZTPGVVLSKBSCS-UHFFFAOYSA-N 294.785 3.695 30 20 CHED N#Cc1ccccc1CSCCNC(C1CC1)C1CC1 177821432 XONYGBHECASFIT-UHFFFAOYSA-N 286.444 3.570 30 20 CHED C#CCCCN[C@@H](C)c1cccc(OC(F)(F)F)c1 178062275 VOIRNTNLXVUBBY-NSHDSACASA-N 271.282 3.649 30 20 CHED C[C@@H](NCCCCC#N)c1ccc2ccccc2n1 178649165 QKWUXARZDVKHNO-CYBMUJFWSA-N 253.349 3.579 30 20 CHED C[C@@H](OC(=O)c1ccc(-c2ccccc2)[nH]1)C(C)(C)C#N 178813987 IQMNDRNFDIHKPP-GFCCVEGCSA-N 282.343 3.777 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccc3ccccc3c2)C1 179902499 ZQVYGCQQFWOICN-MLGOLLRUSA-N 265.312 3.689 30 20 CHED C=C(C)CN(C)Cc1ccc(Cl)c2cccnc12 181270288 KZKUAKIIASVERD-UHFFFAOYSA-N 260.768 3.896 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)c(OC(F)F)c1 181726066 PJJUMYPRLOUXEV-UHFFFAOYSA-N 284.306 3.636 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 183963760 AAFXLDFMVZSJJJ-BFHYXJOUSA-N 264.413 3.647 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(CSC)cc1 185441065 IKQMROMZKLTXDA-UHFFFAOYSA-N 261.390 3.538 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2ccc(C(F)(F)F)cc2)C1 185753419 LZPQSUXZKLZSLG-DZGCQCFKSA-N 296.336 3.920 30 20 CHED COc1ccc(CC[C@@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 185803516 IBKJHQTWQPHECL-PVAVHDDUSA-N 286.419 3.688 30 20 CHED C#CCOc1ccccc1NC(=O)c1sccc1CC 187239103 KINPRBGJOCMWNI-UHFFFAOYSA-N 285.368 3.575 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc2occ(C)c2c1 188005173 LWFOTFNTBGJVJU-LLVKDONJSA-N 271.320 3.555 30 20 CHED CCCO[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)CC1 189883597 VVIMMMBQHQMSTJ-YJBOKZPZSA-N 286.419 3.900 30 20 CHED C=CCC1(C(=O)NCCCn2ccc3ccccc32)CCC1 190640365 NXMLZDOMMAKBGX-UHFFFAOYSA-N 296.414 3.894 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccc(C#N)c(C)n2)CC1 190981698 ODDUPKXNCGLORU-UHFFFAOYSA-N 299.418 3.694 30 20 CHED CC(C)c1cnc(CNc2ccc(F)c(C#N)c2)s1 191842203 DLNABLCGWUZLNQ-UHFFFAOYSA-N 275.352 3.889 30 20 CHED N#Cc1c(CNc2ccc(F)cc2)cn2ccccc12 193398380 PPFCGBBDDBFLKG-UHFFFAOYSA-N 265.291 3.562 30 20 CHED CCCOc1ccccc1OCCOc1ccccc1C#N 195577881 XNUIYDGYHFMFGU-UHFFFAOYSA-N 297.354 3.805 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(C)c2)cc1 211822227 SWAQDWUECYWFRP-WDZFZDKYSA-N 252.313 3.900 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 213700454 IUEXWGXSQOIHEP-KTKRTIGZSA-N 267.284 3.799 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(OC)c2)cc(OC)c1 213896606 XABCTDQRSNMHJU-FPLPWBNLSA-N 298.338 3.609 30 20 CHED C=C[C@H](C)NCc1cc(Br)c(Cl)s1 227853209 KKQVTGIMCXTFQC-LURJTMIESA-N 280.618 3.828 30 20 CHED CC1(C)C[C@@H]1Nc1ccc(C#N)c(Br)c1 228184433 IKRPPMAXUMTUQB-NSHDSACASA-N 265.154 3.531 30 20 CHED C=CCCCCCN1CCC[C@H](C(C)(C)C(=O)O)C1 232536822 ZZNKPVOLWDDMBN-AWEZNQCLSA-N 267.413 3.556 30 20 CHED CC[C@@H](CNCc1ccc(C#N)cc1)Oc1ccccc1C 236987047 UHQSTVQGPAKNTD-SFHVURJKSA-N 294.398 3.814 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCOc3ccccc32)C1 248862186 PUXSIKXMMQYGPA-IIAWOOMASA-N 270.376 3.572 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2)o1 255615200 MASBRDVCWNNCBB-YVMONPNESA-N 286.327 3.755 30 20 CHED N#Cc1csc(/C=C2/CCc3ccccc3C2=O)c1 255617016 BZQMSCITHJZJHZ-JYRVWZFOSA-N 265.337 3.832 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N[C@](C)(C#N)C(C)C 255847513 VXRRYUGSSVBEFY-HMWXGYMHSA-N 290.794 3.798 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)c1cccc(CC#N)c1)C1CC1 264111108 BXSYIOAMMAEIFG-KGLIPLIRSA-N 284.403 3.792 30 20 CHED C[C@H](c1ccccc1F)N(C)Cc1ccc(OCC#N)cc1 264182187 YZYPXEHDTKOJQJ-CQSZACIVSA-N 298.361 3.921 30 20 CHED CCCN(CC(F)F)[C@H](C)c1ccc(C#N)cc1 264904757 ITDAXQPDCAPWLY-LLVKDONJSA-N 252.308 3.596 30 20 CHED C[C@@H](C(=O)N(CC#N)C1CCCC1)c1cccc(Cl)c1 266017159 KOFSOOIQCVJFIO-GFCCVEGCSA-N 290.794 3.738 30 20 CHED C=CCN(C(=O)NCC[C@@H](C)c1ccccc1)C1CC1 271550724 MGSZBPVWCGHCLZ-CQSZACIVSA-N 272.392 3.540 30 20 CHED C=CCCCCNc1ncnc2oc(C)c(C(C)=O)c12 274414083 HNIQTEGLDHUJRE-UHFFFAOYSA-N 273.336 3.502 30 20 CHED C=CCCN(C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 276436865 ODNTZVKVUFOXAQ-HNNXBMFYSA-N 288.435 3.953 30 20 CHED C#CCCCC(=O)Nc1cccnc1-c1csc(C)c1 277567642 XMNCKVVOKYWBNY-UHFFFAOYSA-N 284.384 3.861 30 20 CHED C#CCCCC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 278604876 COTUNHCVZCVFEC-DOTOQJQBSA-N 269.388 3.503 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(CCCSCC#N)C2)cc1 278683041 OWLNXJWZYVNPKY-WBVHZDCISA-N 288.460 3.820 30 20 CHED C=CC[C@H](C)N[C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 280667765 CDFZQLSPAZILSQ-MJBXVCDLSA-N 277.408 3.750 30 20 CHED N#Cc1csc(-c2nc([C@H]3CCC(F)(F)C3)no2)c1 281303744 HQMDHNRPASILCW-QMMMGPOBSA-N 281.287 3.573 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C)cc1Br 281389498 OCKWJBNJLPFELQ-NSHDSACASA-N 296.208 3.842 30 20 CHED C=C(Cl)CN[C@H](CCCOC)c1ccc(F)cc1 282191879 GGNAKZMUAOOWPL-CQSZACIVSA-N 271.763 3.636 30 20 CHED Cc1ccccc1[C@@H]1CCCN1c1cc(C#N)ccn1 283685577 YCZDUVZCYNAPHN-INIZCTEOSA-N 263.344 3.603 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cscc2C)cc1 290187710 MDDNOVARMOOJIZ-HNNXBMFYSA-N 284.384 3.614 30 20 CHED C=CCCN(C)C(=O)CCCc1ccccc1Cl 290650554 FGVXRBIJUUUEHV-UHFFFAOYSA-N 265.784 3.697 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(C(C)C)cc1 292793835 MWVPUGFDCQLZSE-UHFFFAOYSA-N 271.364 3.744 30 20 CHED C=CC(C)(C)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 295366588 WJEYAZJZCLVKRL-DZGCQCFKSA-N 257.377 3.603 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 297400236 NFQWMUFRSRHWMS-OAHLLOKOSA-N 288.391 3.620 30 20 CHED COc1cccc(-n2ccnc2S[C@H](C)CCC#N)c1 298281909 LYLPRHWVIZQNDB-GFCCVEGCSA-N 287.388 3.665 30 20 CHED Cc1ccc(OC(=O)[C@@]2(C#N)CC23CCCC3)cc1F 298561995 GIVSUTYRTFJUCC-INIZCTEOSA-N 273.307 3.514 30 20 CHED Cc1ccc(CN(C)c2ccc(Cl)c(C#N)n2)cc1 301200310 MCNJMLYPFKYEIN-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CCCOc1cc(C)ccc1CNc1ncccc1C#N 301562818 LBYUGLKVRCKDFA-UHFFFAOYSA-N 281.359 3.663 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)c1cc2ccccc2o1 301592077 QWGBKDDJBRBWHN-NSHDSACASA-N 263.300 3.873 30 20 CHED COc1cc(Oc2nc3cc(F)ccc3o2)ccc1C#N 302832248 RFZYSPUNAYLFKO-UHFFFAOYSA-N 284.246 3.639 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc(F)c(F)c1 302860949 UWAFPLQSDXUGOM-UHFFFAOYSA-N 256.211 3.500 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc(Br)cc1 302863121 WMDXSPDUJVFWIN-UHFFFAOYSA-N 299.127 3.985 30 20 CHED N#Cc1ccc(NC(=O)C2CCCCCC2)cc1F 307971368 XXBYEGBHOJCMHR-UHFFFAOYSA-N 260.312 3.606 30 20 CHED CC(C)(CCC#N)CNc1cc(Br)ccn1 309368217 PYSBEMPXUJMSAJ-UHFFFAOYSA-N 282.185 3.586 30 20 CHED C[C@@H]1[C@H](NCC(C)(C)CCC#N)CCN1Cc1ccccc1 309842920 WWYLWLREKKHSGC-SJLPKXTDSA-N 299.462 3.569 30 20 CHED COc1ccc([N+](=O)[O-])cc1N[C@H](C)c1cccc(C#N)c1 315754092 QBVKIKOOXJSGPJ-LLVKDONJSA-N 297.314 3.648 30 20 CHED CC(C)CC1(/C(O)=N/Cc2noc(C3CC3)n2)CCC1 328893840 AMVIJMYVDSROQI-UHFFFAOYSA-N 277.368 3.620 30 20 CHED CC1(C)CC(/C(O)=N/Cc2cccc(-c3ncc[nH]3)c2)C1 329157593 DFQVQNDGXLGXLP-UHFFFAOYSA-N 283.375 3.969 30 20 CHED OC(=Nc1cccc(-c2nnco2)c1)[C@H]1CC12CCCC2 329987755 GLVXRHYOAXMDTK-CYBMUJFWSA-N 283.331 3.905 30 20 CHED CCC(C)(C)C1CCC(CC(=O)NCCC#N)CC1 330452031 ZBPFZGKKPHYBDG-UHFFFAOYSA-N 264.413 3.649 30 20 CHED CC(C)c1ccc(N/C(O)=N/[C@@H]2CCC[C@H]2C#N)cc1 330766684 KUPQUVSLNUBXAF-DZGCQCFKSA-N 271.364 3.828 30 20 CHED CC(C)Oc1cc(/C(O)=N/C2(C)CCCC2)ccn1 330954873 GWFZXRGHZCUBAK-UHFFFAOYSA-N 262.353 3.506 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1N/C(O)=N/[C@@H]1CC[C@H](C)C1 331285202 GIGFUKTVJOADFS-JOYOIKCWSA-N 291.351 3.726 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2cccc(F)c2F)c1 334525900 ISGPPXGDOONGSQ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(C(F)F)c1 334619016 VWUKPWDCFDMBKG-UHFFFAOYSA-N 276.242 3.650 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCOC2(CCC2)C1 335104587 PKPFQZJSYDMFQN-AEFFLSMTSA-N 296.414 3.627 30 20 CHED Cc1nc(Sc2ccc(C(F)(F)F)c(C#N)n2)oc1C 335762721 DSXBNRSKIYORBT-UHFFFAOYSA-N 299.277 3.728 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc2ccsc12 337404187 LYZWEWBKNCFNTG-LLVKDONJSA-N 275.373 3.821 30 20 CHED COC1(CCNc2c(Cl)cccc2C#N)CCC1 338730370 ACGPFJDIYXTSRE-UHFFFAOYSA-N 264.756 3.583 30 20 CHED CN(C)c1cccc([C@@H]2CCCN2[C@H]2CC[C@H](C#N)C2)c1 339006003 MKXVASQTQRFKRR-WBAXXEDZSA-N 283.419 3.582 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ncccc1Cl 339981540 UKHURBLCQOZIAT-UHFFFAOYSA-N 293.798 3.527 30 20 CHED N#Cc1ccnc(NCc2csc3ccccc23)c1 341719944 DIXXKQHRKHFLEK-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CC(C)(CCC#N)CNCc1cc(Cl)ccc1F 342274312 HIBSOQPPHRZEOO-UHFFFAOYSA-N 268.763 3.899 30 20 CHED C[C@@H](CNc1cc(C#N)ccn1)Sc1ccccc1 342292886 LXHIZIZLPQROMA-LBPRGKRZSA-N 269.373 3.546 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@H](c3ccccc3F)C2)c1 343035962 XBNBLERZOJCNFF-UONOGXRCSA-N 281.334 3.841 30 20 CHED CCCC1(CNC(=O)Nc2cccc(C#N)c2)CCC1 343458531 FXYFJLRONFIWKR-UHFFFAOYSA-N 271.364 3.650 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C#N)cc2)C1 343616234 CTDLETBXAUBUAU-KSSFIOAISA-N 290.366 3.782 30 20 CHED N#CCCCN[C@H]1CCc2c1ccc(Cl)c2Cl 346812434 WUNQWMLWKJSJNN-LBPRGKRZSA-N 269.175 3.874 30 20 CHED C=CC1CCN(C(=O)C2(c3ccc(OC)cc3)CCC2)CC1 346850974 PLTNZGKTWNDDGO-UHFFFAOYSA-N 299.414 3.542 30 20 CHED CCN(CCC#N)C(=O)Nc1ccnc(-c2ccccc2)c1 348850105 VPTLHVSFQZLMOM-UHFFFAOYSA-N 294.358 3.516 30 20 CHED CCCCN(C)c1c(C#N)cnc2c(F)cc(F)cc12 352303447 NPGIOMKAQNXQTB-UHFFFAOYSA-N 275.302 3.621 30 20 CHED C=C1CCN(C(=O)c2ccc(N(CC)C(C)C)cc2)CC1 354125944 GNUVZMWTYXWDNJ-UHFFFAOYSA-N 286.419 3.714 30 20 CHED CC(C)c1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)s1 354762689 DASFZLANAHIBEF-LLVKDONJSA-N 276.405 3.636 30 20 CHED Cc1cc(OCc2noc(-c3ccsc3)n2)ccc1C#N 365555569 HCUYJJXLPOTRMU-UHFFFAOYSA-N 297.339 3.557 30 20 CHED C=CCNC1(c2cccc(Br)c2)CCC1 389738775 VDIUQXSNWKQTTA-UHFFFAOYSA-N 266.182 3.604 30 20 CHED C[C@@H](CNc1c(F)cc(C#N)cc1F)CC(F)(F)F 396908957 HANAXKLOSRRTLD-SSDOTTSWSA-N 278.224 3.837 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2c(OC)cccc21 410982906 WRNZBWIARKACOB-UHFFFAOYSA-N 273.376 3.577 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)CC(F)F 411705327 AXBCJCYMMFBLKX-GFCCVEGCSA-N 297.345 3.501 30 20 CHED C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC(C)(C)C1 412245516 NVOWFSQJKLTDOL-RRQGHBQHSA-N 296.414 3.556 30 20 CHED CCOc1cc(C#N)ccc1OCCOCC1CCCC1 412987317 YINTTWOZGRQEKL-UHFFFAOYSA-N 289.375 3.543 30 20 CHED C[C@@H]1CCCCN(c2cc(C(F)(F)F)cnc2C#N)C1 413224347 FMAWPXHTVYEJFN-SNVBAGLBSA-N 283.297 3.598 30 20 CHED CC(C)(CNc1ncc(C#N)cc1F)C1=CCCC1 413341570 UDAUCIQGZSEWTO-UHFFFAOYSA-N 259.328 3.641 30 20 CHED C=CCC1(CNC(=O)Nc2ccc3c(c2)CCN3)CCCC1 415854533 WTRLXZDOZJDPJJ-UHFFFAOYSA-N 299.418 3.913 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(C2CC2)cc1 416075486 FHPOLFKRMLSZKS-GFCCVEGCSA-N 270.376 3.681 30 20 CHED COc1cc(Br)ccc1OCC1(C#N)CCC1 419048631 WHZWQOXTZFQKEZ-UHFFFAOYSA-N 296.164 3.530 30 20 CHED CC[C@@H]1CCCN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419638920 LDDFZYOPRZHFMY-NVXWUHKLSA-N 297.402 3.520 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N1CCc2c(C#N)cccc21 421658147 ROPPYKAJERDHLR-CZUORRHYSA-N 282.387 3.664 30 20 CHED C=CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Cl 424198412 PCOIQIJFGQGYMI-GXTWGEPZSA-N 290.794 3.687 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425133765 TWJNVWTXXPRXND-BFHYXJOUSA-N 272.392 3.760 30 20 CHED C=CC[C@@H](NCc1cccc(-c2ccc(C)cc2)c1)C(=O)O 426820553 LOYZUTTVCBJREI-GOSISDBHSA-N 295.382 3.781 30 20 CHED CCC(CC)(C(=O)NCC1(CC#N)CC1)c1ccccc1 431169915 NTASEMDAGLTQFQ-UHFFFAOYSA-N 284.403 3.554 30 20 CHED CC1(C)CCC[C@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 434013669 DEFJWHMWAZDNTA-KBPBESRZSA-N 276.424 3.744 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 434017631 RWRWWOWXAXURHT-WBVHZDCISA-N 298.430 3.714 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(CCC)c1 435744526 GAAKAKVNROVYQH-ROUUACIJSA-N 273.420 3.710 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@@H](C2CC2)C1 436295759 ZTIDGKUMKBOSDK-VQHPVUNQSA-N 263.425 3.526 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(O)cc1O)c1ccccc1 436630981 RIOWDHZPHDAJJN-INIZCTEOSA-N 297.354 3.535 30 20 CHED C=CC[C@@H](C)NC(=O)CCCSc1ccc(OC)cc1 440446261 MMTLMYGNUDUJDJ-CYBMUJFWSA-N 293.432 3.648 30 20 CHED Cc1nc(CNc2cc(C#N)ccc2C)c(C)s1 443466948 KCLVCNSUCXVWOS-UHFFFAOYSA-N 257.362 3.552 30 20 CHED Cc1cc(CNc2ccccc2-n2cccn2)ccc1C#N 444003466 NRUZABOJLXERLQ-UHFFFAOYSA-N 288.354 3.665 30 20 CHED Cc1ccc(F)c(CN(C)CC#Cc2ccc(F)cc2)c1 444743633 ZWBRSVBYXQNDMU-UHFFFAOYSA-N 285.337 3.757 30 20 CHED Cc1ccc2sc(C(=O)N[C@@H]3CCC[C@@H]3C#N)c(C)c2c1 446239084 XJYMCRCWTBAQNH-TZMCWYRMSA-N 298.411 3.940 30 20 CHED CCC(CC)[C@@H](CCNc1ccc(C#N)cc1)OC 446882971 CYAJRQZHFVJQTJ-MRXNPFEDSA-N 260.381 3.811 30 20 CHED Cc1cccc(F)c1NCc1cn2ccccc2c1C#N 447021516 SOFCKLKBNLOATO-UHFFFAOYSA-N 279.318 3.871 30 20 CHED C=CCCCCCNc1ccccc1N1CCCC1=O 447403513 FMQILJINNPTXRD-UHFFFAOYSA-N 272.392 3.972 30 20 CHED CC[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(C#N)cc1 447538322 BAFNSJILHQIMTH-KUHUBIRLSA-N 294.398 3.936 30 20 CHED CC1(C#N)CCC(NCCCN2CCc3ccccc32)CC1 449072566 QLXVZDPRRVRKKC-UHFFFAOYSA-N 297.446 3.501 30 20 CHED C=CCCCC[C@H](C)NC1CCN(C2CCC2)CC1 449099469 TXNAJJWWIBLYSF-HNNXBMFYSA-N 264.457 3.728 30 20 CHED C=C(C)CCNCc1cc(-c2ccncc2)ccc1OC 449474334 JDMCGZRUCJYNHP-UHFFFAOYSA-N 282.387 3.813 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2ccncc2s1 450423032 HZJCWXKPPVQELG-LLVKDONJSA-N 274.389 3.771 30 20 CHED C=C[C@@H]1CCCCN1c1nccc2cc([N+](=O)[O-])ccc12 450485550 PSXIWWZGEURPIB-CYBMUJFWSA-N 283.331 3.688 30 20 CHED CC(C)(C)OC1CC(Sc2ccc(C#N)cc2)C1 450812066 QUTPILMSKVTAGG-UHFFFAOYSA-N 261.390 3.996 30 20 CHED CC(C)Cc1noc(C(C)(C)Cc2ccc(C#N)cc2)n1 453049285 BLGPPVCLWZYTBU-UHFFFAOYSA-N 283.375 3.660 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C)cc1C 453336781 FZRWLHHOEJWYBA-UAGQMJEPSA-N 259.393 3.688 30 20 CHED CCCN(CC#N)Cc1sc(C)cc1Br 453560565 HIDFMDASSLHTQO-UHFFFAOYSA-N 287.226 3.555 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(Cl)ccc1F 454267038 JAHPRTCDRGRYCH-UHFFFAOYSA-N 270.735 3.813 30 20 CHED CCN(C(=O)Nc1ccc(CC#N)cc1Cl)C1CCC1 455702991 LUYQVEJBCCNAIB-UHFFFAOYSA-N 291.782 3.812 30 20 CHED C=CCCN(C)C(=O)Nc1cc(OCC)ccc1Cl 455748285 DLNPIRVUALQRFR-UHFFFAOYSA-N 282.771 3.779 30 20 CHED CC(C)[C@]1(C)C[C@@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 458577575 PPWCVWPURIBSRS-RYRKJORJSA-N 299.418 3.765 30 20 CHED C=C(C)CCNC(=O)N1CCc2sccc2[C@H]1CC 459019843 NVRZQVIVXVFERF-CYBMUJFWSA-N 278.421 3.733 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C)[C@@H]1CC 460548233 YNPFZXILDGEDOY-ILXRZTDVSA-N 290.455 3.993 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nnc(C)n1CC(=C)C 460553715 CFAQYVGYSZWOSX-UHFFFAOYSA-N 296.418 3.745 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@](C)(C#N)C(C)(C)C 464295816 CHDYOJPHLMSWAG-IUODEOHRSA-N 252.402 3.647 30 20 CHED CCc1ccc(C(C)(C)C(=O)N[C@H](C#N)C(C)(C)C)cc1 464705789 ADAVMEZTTQCVSL-OAHLLOKOSA-N 286.419 3.581 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 465284133 IZWZHVXWRHWOMX-RISCZKNCSA-N 278.371 3.787 30 20 CHED CC#CCCCC(=O)N1[C@H](C)Cc2cc(OC)ccc2[C@H]1C 466276807 TTZFIXBZLYNSJW-HUUCEWRRSA-N 299.414 3.723 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)CCC1CCCCC1 466404406 KVQXCUJVAWPWQP-HNNXBMFYSA-N 266.429 3.953 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC)Oc1cccc(C)c1 466534939 UYGJMYKGGKQONQ-HOCLYGCPSA-N 275.392 3.623 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)c1cccc(OCC)c1 472956112 UJZISOSCWDVMGJ-AWEZNQCLSA-N 290.407 3.802 30 20 CHED CCCC[C@H](SCc1ccc(F)cc1C#N)C(=O)OC 475890074 YYTVPOGUTOUUHO-AWEZNQCLSA-N 295.379 3.662 30 20 CHED C=CCOCCCSc1nc2ccccc2nc1C 475983935 OHRKKOAMXBEPFZ-UHFFFAOYSA-N 274.389 3.623 30 20 CHED COc1cc(C#N)ccc1CN[C@H]1CCCCC1(C)C 481171130 DBCYMXCTLVCJKZ-INIZCTEOSA-N 272.392 3.625 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N[C@]2(C#N)CC2(C)C)c1 484909555 KKYHRKUIYCWJLP-KUHUBIRLSA-N 298.430 3.797 30 20 CHED CCOc1ccc(CNc2ccc(CC#N)cc2)cc1F 486969778 QISWCGYNBUJHMU-UHFFFAOYSA-N 284.334 3.903 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(Cl)cc1C 488595625 UNWPFELEYZNSBP-CYBMUJFWSA-N 294.826 3.873 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1c[nH]c2c(C)cccc12 488881502 WNUINLYEUNBWFO-INIZCTEOSA-N 296.414 3.976 30 20 CHED Cc1cc(CN(C)Cc2cccc3[nH]ccc23)ccc1C#N 489026360 KXTBLPIJQVXNAG-UHFFFAOYSA-N 289.382 3.980 30 20 CHED CC(C)(C)c1ccc(C(=O)NCC#Cc2ccccc2)cc1 502419440 ILKDLSFBFAGKOG-UHFFFAOYSA-N 291.394 3.766 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1cc(C#N)ccc1NC 503241365 AMLHJZIPVAPVQL-CYBMUJFWSA-N 273.380 3.755 30 20 CHED C=C(C)CCc1noc(Cc2ccc(F)cc2Cl)n1 508682030 VLVIRZZMCKBAHZ-UHFFFAOYSA-N 280.730 3.962 30 20 CHED C=C(C)CN(Cc1cc(C)cc(C)c1)Cc1ccc(CO)o1 512151716 GCXLXAICGJGFSP-UHFFFAOYSA-N 299.414 3.967 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc(C#N)c1C 512832763 IWKXQOKNFGRVKV-GUYCJALGSA-N 284.403 3.908 30 20 CHED C[C@@H](NC(=O)c1cscc1C#N)c1ccc(C2CC2)cc1 516552730 HEEBKJUWDJFXHQ-LLVKDONJSA-N 296.395 3.988 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1OC 518864389 YWFSFSPIQMNNFT-KGLIPLIRSA-N 286.375 3.722 30 20 CHED C=CCCCCCN[C@H](c1ccccc1)c1cnn(C)c1 521151010 TXDVEKKADDIKKE-GOSISDBHSA-N 283.419 3.846 30 20 CHED CCN(CCOc1ccccc1C#N)Cc1ccc(C)cc1 521221476 GQHQXRZEEPWIFX-UHFFFAOYSA-N 294.398 3.768 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1sc(CC)nc1C 532405960 KACFNNZPOFEDFM-UHFFFAOYSA-N 293.436 3.606 30 20 CHED CC(C)C1CCC(NCc2cc(C#N)cs2)CC1 532428894 WEKISELSCBIEEI-UHFFFAOYSA-N 262.422 3.924 30 20 CHED CC#CCN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 532702683 ATJIYTUHMHRTHJ-GOSISDBHSA-N 283.346 3.537 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1C#N 532935737 KQNPSUDVJRLTKM-XEZPLFJOSA-N 298.386 3.720 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H](C)C(C)C)c1ccccc1 536085467 NHAPGTTYBJXSSE-HUUCEWRRSA-N 259.393 3.849 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)cc1 537230560 NEEDACJQPPLMPL-LLVKDONJSA-N 251.757 3.815 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](CCC)C1 539390679 VKTYHFZBSQZENF-CABCVRRESA-N 266.429 3.953 30 20 CHED CC(C)[C@@H](NCC1(C#N)CC1)c1ccccc1Cl 540588475 RKJSASBGWXVEIQ-CQSZACIVSA-N 262.784 3.930 30 20 CHED Cc1cccc([C@H]2CCN(Cc3cc(C#N)cs3)C2)c1 542484388 YLJKULOSXWQYFF-INIZCTEOSA-N 282.412 3.918 30 20 CHED CC(C)(C)[C@H](NCc1ccc(C#N)cc1F)C(F)(F)F 543704072 GWOKBZASCVFDOL-LBPRGKRZSA-N 288.288 3.764 30 20 CHED COc1cc(C#N)ccc1NCc1ccc(Cl)cc1C#N 547811966 QCUXFASVWYGVMV-UHFFFAOYSA-N 297.745 3.704 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C#N)CCC)c1ccccc1 548288070 WOXSFUFGYAWXAQ-JKSUJKDBSA-N 270.376 3.545 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(-c3cccnc3)on2)n1 551137783 APRPKNFKZXCDSR-UHFFFAOYSA-N 296.330 3.640 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2cc(C#N)c3ccccc3n2)C1 554776744 SHRILKVEBBXBSB-STQMWFEESA-N 293.370 3.871 30 20 CHED C=CCOCCN[C@H](Cc1ccccc1)c1ccccc1F 555420352 AIMUQASRFGSOIO-LJQANCHMSA-N 299.389 3.902 30 20 CHED N#Cc1ccnc(N[C@@H]2CCC[C@@H]2Cc2ccccc2)c1 557604810 XKEILCRFPAWFKX-IAGOWNOFSA-N 277.371 3.777 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cnn(C(C)C)c1 558713777 MITWKSLVUBIFMI-UHFFFAOYSA-N 278.400 3.674 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 560535162 WALGLMPQNQRXQV-KRWDZBQOSA-N 286.375 3.794 30 20 CHED N#Cc1cccc(/C=C\c2nc(C3CC(F)(F)C3)no2)c1 567127033 SPQFYEDDLJXBIJ-PLNGDYQASA-N 287.269 3.624 30 20 CHED Cc1csc(NC(=O)N(C)[C@H](C)C2(C)CC2)c1C#N 570293036 VPUWYGWTCNDDJS-SNVBAGLBSA-N 277.393 3.581 30 20 CHED C[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)CC1(F)F 570880189 OHIBYGBQUQZUBG-LLVKDONJSA-N 287.313 3.588 30 20 CHED C=CCN(c1nnc([C@@H](CC)c2ccccc2)n1C)C1CC1 571126779 NAMCWXUBANPWRG-INIZCTEOSA-N 296.418 3.512 30 20 CHED CC#CCCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 572425960 LSQQIUWKFFSIHK-BCDXTJNWSA-N 253.389 3.810 30 20 CHED C[C@@H]1COCC[C@@H]1CNc1cc(C#N)ccc1C(F)(F)F 573311877 UFFTZBZNKIXGLW-ZYHUDNBSSA-N 298.308 3.662 30 20 CHED C=CCC[C@H](NC[C@H](CO)c1ccccc1Cl)C1CC1 574144942 WYXHZOHZUCGVJV-PBHICJAKSA-N 293.838 3.750 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)cc1Cl 576003528 GXLSULXADVCTIM-LQJRIPTKSA-N 289.766 3.522 30 20 CHED N#CCC1CCN(Cc2ccc(C(F)(F)F)s2)CC1 577571466 JZZQQVLTDFFZCB-UHFFFAOYSA-N 288.338 3.893 30 20 CHED N#Cc1ncccc1SC[C@H]1CCc2ccccc21 581834407 NQARQBJKMZJDPP-CYBMUJFWSA-N 266.369 3.775 30 20 CHED CCCCc1noc([C@H](C)Sc2cccnc2C#N)n1 584123969 OURAWRAPRHFADE-JTQLQIEISA-N 288.376 3.532 30 20 CHED CC[C@H](C)CCC(=O)N[C@@H](C)c1cccc(C#N)c1 586790974 MOCQBVBOHPAOKU-STQMWFEESA-N 258.365 3.562 30 20 CHED Cc1sccc1CN[C@@H]1CCc2cc(C#N)ccc21 590188347 VGUDLUUQCHLLRC-MRXNPFEDSA-N 268.385 3.705 30 20 CHED N#CC1(CCN2CC[C@H](c3ccco3)C2)CCCCC1 591014279 YCMRRSZYDRMOTO-HNNXBMFYSA-N 272.392 3.933 30 20 CHED CO[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)CC(C)C 591348211 KJTOXGMCCAQGAY-FUHWJXTLSA-N 286.419 3.586 30 20 CHED N#CCCNCC1(c2ccc(F)cc2Cl)CCCC1 591761759 ZQLRATPSDJBQRT-UHFFFAOYSA-N 280.774 3.794 30 20 CHED Cc1noc(C)c1-c1ccc(C2(C#N)CCOCC2)cc1 592987109 PIUMGGPSMSSRPX-UHFFFAOYSA-N 282.343 3.530 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CC=CCC1 594004234 YOAYFKOPTSMKKW-MAUKXSAKSA-N 296.414 3.552 30 20 CHED CC[C@@H](CC(=O)N(C)[C@H](C#N)CC)c1ccc(C)cc1 594089183 NTEDAJZKSVQRIT-HOCLYGCPSA-N 272.392 3.639 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCc1ccc(Cl)cc1Cl 594093658 SIUOWAZOMVNLNG-GFCCVEGCSA-N 299.201 3.687 30 20 CHED N#CCC[C@@H](C#N)CNCc1cc(Cl)cc(Cl)c1 594719615 CKBHRNBWRXKACE-JTQLQIEISA-N 282.174 3.527 30 20 CHED CCOC1CCC(N[C@H](C)c2cccc(C#N)c2)CC1 595025737 MBNVVHMOEUKEFG-NVPAJSRCSA-N 272.392 3.557 30 20 CHED CC(C)(CC#N)CNc1cc(Nc2ccccc2)ncn1 596264463 LHAKBEYEYPLKNM-UHFFFAOYSA-N 281.363 3.572 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 597902967 CMIVQXYDDIOIMH-AWEZNQCLSA-N 294.354 3.712 30 20 CHED CSc1ccccc1-c1cn([C@H]2CC[C@@H](C#N)C2)nn1 600974228 XARXUOOSNBXGSZ-NEPJUHHUSA-N 284.388 3.532 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)C1=CCCC1 602686741 HHIYAMFKYDUMGL-OAHLLOKOSA-N 290.451 3.811 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(-c2ccccc2)o1 604894329 FTXPNLRGCSIJOO-ZDUSSCGKSA-N 284.359 3.710 30 20 CHED CCCCS[C@H](C)C(=O)N(C)c1ccc(C#N)cc1F 609216405 JAUHPXNGFOVVTO-LLVKDONJSA-N 294.395 3.582 30 20 CHED C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)C1CCCC1 610976315 ZUYOSCUHXLRGAK-WMLDXEAASA-N 284.403 3.974 30 20 CHED N#CCc1ccc(C(=O)N2CCc3cccc(Cl)c32)cc1 611158689 BXADHYDBQBQNSK-UHFFFAOYSA-N 296.757 3.609 30 20 CHED C=C(CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 611438248 SQHJSJCLHIXTCX-OAHLLOKOSA-N 262.356 3.922 30 20 CHED COc1cc(C#N)cc(OCc2ccc(SC)cc2)c1 616951774 VHPMKDJEVRXBPV-UHFFFAOYSA-N 285.368 3.868 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2occc2s1 620858360 FAKCOYHQFZOZSZ-UHFFFAOYSA-N 263.362 3.969 30 20 CHED C=CCC[C@H](NC[C@@H](OC)c1cccc(OC)c1)C1CC1 624031694 QREDWQGOFXWAIN-ZWKOTPCHSA-N 289.419 3.717 30 20 CHED C=C1CCN(C(=O)c2cc3ccc(OC)cc3s2)CC1 630930920 KDMPDXZMWNAXJI-UHFFFAOYSA-N 287.384 3.702 30 20 CHED C=CCCC[C@@H](C)N(C)Cc1ccc(C(=O)O)cc1 652459475 ULSJPAQPWALTQR-CYBMUJFWSA-N 261.365 3.561 30 20 CHED C=CCC1(NCc2cc3cc(F)ccc3o2)CCOCC1 657633115 HLMNOIXCVVTZBN-UHFFFAOYSA-N 289.350 3.787 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1cn2ccsc2n1 657853471 LOYAPQBWKZPNAK-OCCSQVGLSA-N 275.421 3.620 30 20 CHED C=CCN(Cc1nnc(-c2ccccc2)o1)C(C)(C)C 661755284 NGZQOJDOISJWIG-UHFFFAOYSA-N 271.364 3.523 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc2c1CCCN2 662952013 BLAVWFHPHCVXLM-UHFFFAOYSA-N 272.392 3.519 30 20 CHED C=CCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C 663667046 DFBRNKJFENWOQJ-AWEZNQCLSA-N 260.381 3.649 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1cnn(C(C)C)c1 664099013 SIOPOYMMGZEXJE-ZDUSSCGKSA-N 292.427 3.569 30 20 CHED C=CCCC(C)(C)NC(=O)NCCc1ccc2[nH]ccc2c1 664818478 INCQKEFAMWQQSX-UHFFFAOYSA-N 299.418 3.754 30 20 CHED C=C(CNC(=O)c1ccc(C)c(C)c1)c1ccccc1 672481083 KVEKKICTGALHLT-UHFFFAOYSA-N 265.356 3.747 30 20 CHED Clc1ccc(C#CCN2CCC[C@H]2C2CC2)cc1 674250300 ZLMLAKSORQLYMA-INIZCTEOSA-N 259.780 3.566 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCc3c(Cl)cccc32)CC1 678836408 XZIPCQMNJNZWRV-CQSZACIVSA-N 275.779 3.548 30 20 CHED C=C(C)[C@@H](Cc1nc([C@@H]2CCc3ccccc32)no1)OCC 680746136 IRAHCUBECVMRJX-HZPDHXFCSA-N 298.386 3.671 30 20 CHED CC#CCCCC(=O)Nc1ccc(OCC)c(OCC)c1 680992120 CVHYFBSZMAGKNK-UHFFFAOYSA-N 289.375 3.616 30 20 CHED C#C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(C)(C)C 702244557 NLNSRJFYDROEJY-LLVKDONJSA-N 284.186 3.771 30 20 CHED CCCCCCCCCC(=O)NC1CCC(C)(O)CC1 703621981 GRUNEYVGNCRKTN-UHFFFAOYSA-N 283.456 3.937 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 720342014 RUIPYQINPDUCTR-UHFFFAOYSA-N 298.104 3.585 30 20 CHED N#Cc1ccc(F)c(CN[C@H](C2CCCC2)C2CC2)c1 724003172 YSHMHTNVTJALRM-QGZVFWFLSA-N 272.367 3.756 30 20 CHED COc1cccc(NN=C(C)CCc2ccc(O)cc2)c1 725853535 URVAUNAYECUPTK-UHFFFAOYSA-N 284.359 3.821 30 20 CHED C#CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 727790574 YIBAJOVWCJQCBK-NWDGAFQWSA-N 296.197 3.579 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1F 729149436 HQEALWLHQKSCEW-ZZXKWVIFSA-N 298.313 3.801 30 20 CHED COC(=O)c1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1 729151738 XARZWLQOHFXFMT-XNTDXEJSSA-N 292.334 3.604 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(F)c2)c(C#N)c2n1CCC2 730085604 RADDMCXJXKRDKE-FPLPWBNLSA-N 294.329 3.650 30 20 CHED C=CCOC(=O)C1(Sc2ccccc2)CCCC1 733557151 XQWITLSONFKLCL-UHFFFAOYSA-N 262.374 3.821 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1cc(C)ccc1O 734302593 HAYMIRDVCBGMQE-UHFFFAOYSA-N 294.276 3.954 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2csc(C(=O)O)c2)c1 734981890 XYPNBSXYGWJHMT-HYXAFXHYSA-N 290.315 3.790 30 20 CHED CC(C)(C)CCC(=O)OCc1cn2ccccc2c1C#N 738796865 XWFQLGJSZQUQCA-UHFFFAOYSA-N 284.359 3.680 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccccc1C(=O)O 743451006 WTLLUKWAJZQSII-ZDUSSCGKSA-N 276.380 3.667 30 20 CHED C=CCCOC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 744049601 UZVCMQUJYKCGPC-UHFFFAOYSA-N 289.375 3.713 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)c1ccc(O)cc1 745624148 HHIOWTMIMRTHTO-UHFFFAOYSA-N 298.346 3.601 30 20 CHED C=CCN(C(=O)N[C@@H](c1nc(C)cs1)C1CC1)C(C)C 745863098 BZDHGXRECMVRCZ-CYBMUJFWSA-N 293.436 3.509 30 20 CHED CCCCCCCCC/C=C/C(=O)NC1CCN(C)CC1 746582219 PPEKANVYJJSENN-VAWYXSNFSA-N 294.483 3.894 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1nc2ccccc2n1C 747754028 YOGRPVXIOWZEOF-LBPRGKRZSA-N 270.380 3.797 30 20 CHED Cc1ccccc1C(C)(C)C/N=C\c1ccc(O)c(O)c1O 750950441 VLEOPOJBTKEZMS-GRSHGNNSSA-N 299.370 3.509 30 20 CHED CC(Cc1ccc(C(F)(F)F)cc1)=NNc1cnccn1 751130126 CTMDVPCILVHGBD-UHFFFAOYSA-N 294.280 3.526 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@H]1CCC1CCCC1 753259027 NPUIHGPATBSRMH-HZPDHXFCSA-N 276.424 3.543 30 20 CHED CCON=Cc1cc(C(F)(F)F)ccc1Cl 753694440 FHSDGVIEAXQZQQ-UHFFFAOYSA-N 251.635 3.729 30 20 CHED C[C@@H]1CC(=NNc2ccc(Cl)c(F)c2)CN1C1CC1 753959460 IYONNYJDOGPXRV-SECBINFHSA-N 281.762 3.504 30 20 CHED N#CCC[C@H](C#N)CNc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 754886407 JKNCAOARLXEVPJ-DAYGRLMNSA-N 294.402 3.531 30 20 CHED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1sccc1O 756624293 XQCNDTVEIGFVHC-UPHRSURJSA-N 284.258 3.767 30 20 CHED CCCn1cccc1C=NNCc1cccc(Cl)c1 756832503 TZRRSDIRUIJDDZ-UHFFFAOYSA-N 275.783 3.675 30 20 CHED C=CCC(=NN=c1cc[nH]cc1Cl)c1ccc(F)cc1 756837949 FKXAFHXONMNLAT-UHFFFAOYSA-N 289.741 3.688 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNc1ccc(F)cn1 756890262 VOCUGHTZELTVDH-UHFFFAOYSA-N 277.730 3.937 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)C(C)=C(C)C 757344935 ZHXGCLICLXMEAI-UHFFFAOYSA-N 260.333 3.685 30 20 CHED C#CC[C@@H](NC(=O)c1cccc(C(C)C)n1)c1ccccc1 757598134 OJCCLXUSKAXISB-QGZVFWFLSA-N 292.382 3.699 30 20 CHED CC#CCN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 759771047 AMGNHKKTLOUTPP-AWEZNQCLSA-N 293.842 3.661 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1CCCC12CCCCC2 760079633 NWKOWZSHJAJRGV-MDZDMXLPSA-N 294.398 3.897 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2ncc(F)cn2)cc1 760261867 GPJGJELWSHMLFO-CQSZACIVSA-N 284.338 3.660 30 20 CHED Fc1ccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)c(F)c1 762408175 AXSFWDGVWRKEIV-GARJFASQSA-N 250.292 3.799 30 20 CHED Cc1nc(C#N)c(NN=C[C@@H](C)c2cccc(Cl)c2)o1 763355256 BMIUTDLMRZAULM-SECBINFHSA-N 288.738 3.710 30 20 CHED C=C[C@@H](CC(=O)N(OC)[C@@H](C)CC)c1ccccc1 764824778 GNWGCBMWBOSENU-KBPBESRZSA-N 261.365 3.535 30 20 CHED C/C(=C/C(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 765133881 SZDIYTAVJKYKBU-HECSCLNYSA-N 282.387 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C=C(Cl)CNc1cc(F)ccc1OC[C@H]1CCCO1 849314339 HMOCXHGAGRWUID-GFCCVEGCSA-N 285.746 3.548 30 20 CHED C#CC[C@H](NCc1cc(COC)cs1)c1ccccc1 850227052 WRTFUWKOHWPFNV-KRWDZBQOSA-N 285.412 3.749 30 20 CHED CCCCCCCC(=O)N1CCC([C@@H]2CCCNC2)CC1 850721941 WODJVIPCPOOWCO-QGZVFWFLSA-N 294.483 3.585 30 20 CHED C=CC(C)(C)CCOC(=O)c1cc(NC(C)=O)ccc1F 851299748 YAQMJNAVPMHVGI-UHFFFAOYSA-N 293.338 3.543 30 20 CHED CCCCC[C@@H](C)CC(=O)N1CCC[C@H](CC#N)C1 855254224 GQDBJTJYCFORAC-HUUCEWRRSA-N 264.413 3.745 30 20 CHED CCC(C#N)(CC)C(=O)OC/C=C\c1ccccc1 860195799 AMUHALZPYGXTCE-FLIBITNWSA-N 257.333 3.573 30 20 CHED CSc1ccc(/C=C/C(=O)O[C@H](C#N)C(C)C)s1 860519188 XJZMEQJJIMIEKI-DUMNWFOQSA-N 281.402 3.575 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OC)c(Cl)c2)CC1 864252621 CIJFPOVAKXJZQF-UHFFFAOYSA-N 280.755 3.533 30 20 CHED CC(C)(CCC#N)CNC(=O)/C=C/CCc1ccccc1 868358748 GFHUWTUBAMWWBF-KPKJPENVSA-N 284.403 3.622 30 20 CHED Cc1sc(CNCC2(C#N)CCC2)cc1Br 877594905 MGXNBNQJSZNTGC-UHFFFAOYSA-N 299.237 3.603 30 20 CHED C[C@H](CCC#N)CNc1ccc([C@@H](O)C(F)(F)F)cc1 877667621 QBKVDCIUGUOZON-ZWNOBZJWSA-N 286.297 3.634 30 20 CHED N#C[C@H]1CC[C@H](NCCc2ccc(Cl)c(Cl)c2)C1 886707755 QJCQOJNDBFXZOI-RYUDHWBXSA-N 283.202 3.818 30 20 CHED CCCSC[C@H](C)Nc1ccc(F)cc1OCC#N 893438098 ZODHWIKYDANKLG-NSHDSACASA-N 282.384 3.672 30 20 CHED C=C[C@@H](Cc1nc(C2(SC)CC2)no1)c1ccccc1 896784058 RVBDHCAHZHNVQJ-LBPRGKRZSA-N 286.400 3.934 30 20 CHED CC[C@H](C)n1ncc(NCc2cc(C#N)ccn2)c1C1CC1 901434970 QIBONCSBXGRJGG-LBPRGKRZSA-N 295.390 3.610 30 20 CHED CC[C@H](NCCc1cccnc1C)c1cccc(C#N)c1 903417956 HSOVSCSYJYDCKY-SFHVURJKSA-N 279.387 3.545 30 20 CHED C#CCO[C@@H](C)c1nc(-c2c(Cl)cccc2Cl)no1 904308056 ACLPOFLFYREPRK-QMMMGPOBSA-N 297.141 3.754 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(C(=O)O)c(C(C)C)s1 910701159 QJPUKCZKWVJRPV-UHFFFAOYSA-N 296.392 3.506 30 20 CHED C=CCOCC(=O)Nc1ccccc1NC1CCCCC1 913949379 LMRHOLRKQRHYGM-UHFFFAOYSA-N 288.391 3.572 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1C)C(C)C 914683460 OSETWVSXEWDQMM-CYBMUJFWSA-N 295.810 3.839 30 20 CHED C[C@H]1CCCC(=NNCc2ccc(F)c(F)c2)C1 915975053 NRJZNQBESDLERF-JTQLQIEISA-N 252.308 3.621 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 916248079 JFALYUMYQCNXMK-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C=CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)C(C)C 917166823 IZMMDFAEROCHTL-UHFFFAOYSA-N 294.826 3.792 30 20 CHED CCCCCCCOC(=O)Cc1ccc(OC)cc1 918494126 NVZGIVNPGUDJBJ-UHFFFAOYSA-N 264.365 3.751 30 20 CHED Fc1cccc(NN=Cc2ccc(F)c(F)c2)c1 920383321 DQISTTBEAHDRES-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CCC[C@H](N[C@H](C)CC(C)(C)C#N)[C@H](O)c1ccccc1 926333961 WIHHJUARNMHJKD-HYVNUMGLSA-N 288.435 3.807 30 20 CHED N#C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCCC3)C1 931825612 DIYIDKYLPUSWSO-CQSZACIVSA-N 297.402 3.723 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1ncc(C)[nH]1 934916293 BFKAJISNLQJTHK-ZDUSSCGKSA-N 283.375 3.926 30 20 CHED CO[C@H](COC(=O)CCCCCC#N)C1CCCCC1 1122997319 DRKOXDBCLWGZPF-OAHLLOKOSA-N 281.396 3.599 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)O[C@H](CC#N)c1ccco1 1123463436 TUZMRDOQANDZIW-WMLDXEAASA-N 297.354 3.965 30 20 CHED COc1ccc(NC(=O)c2csc(C#N)c2)cc1Cl 1124312743 AHANKWIUGGPHAY-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCc1ccccc1CNc1nc(C#N)c(Cl)s1 1185467041 NTYCHCHPRXSKJT-UHFFFAOYSA-N 277.780 3.843 30 20 CHED N#Cc1ccc(CCN2CC[C@H](C3CCCC3)C2)cc1 1195307189 OZNZISRVUXJZGH-SFHVURJKSA-N 268.404 3.613 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(C#N)[nH]3)c21 1199680134 DUZINIKSZIDRBC-NSHDSACASA-N 293.370 3.923 30 20 CHED CN(C)c1ccc(F)cc1CNc1cccc(CC#N)c1 1202435420 KKBQBESUEDNHCR-UHFFFAOYSA-N 283.350 3.570 30 20 CHED CC[C@@H]1C[C@H]1COc1c(C#N)cnc2ccc(C)cc12 1307349388 MJEXZYZFFQGPSY-OLZOCXBDSA-N 266.344 3.840 30 20 CHED CC(C)CCC1CCN(Cc2cc(C#N)ccn2)CC1 1307533928 VRZJFOHXKZWFMR-UHFFFAOYSA-N 271.408 3.601 30 20 CHED CC(C)CCCCCC(=O)OCc1ccc(C#N)cn1 1320915047 BTPZCMCPMDWRLZ-UHFFFAOYSA-N 274.364 3.603 30 20 CHED C=C(C)CCC(=O)NC[C@@H](OC)c1ccc(Cl)cc1 1335799591 IBBKJBCLQXBOGI-CQSZACIVSA-N 281.783 3.500 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1 1336549964 BCKZGFGPUUCDCY-OAHLLOKOSA-N 291.366 3.854 30 20 CHED CCC[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 1336702486 FFEPDYZKLNAWFT-CQSZACIVSA-N 262.397 3.642 30 20 CHED N#Cc1cccc(N(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C2CCC2)c1 1338057167 CALQHRLNPMRMEZ-PIIMJCKOSA-N 294.398 3.880 30 20 CHED CCOc1cc(/C=C/c2cc(C#N)ccn2)ccc1OC 1339548086 IOURYJTXZRENQM-GQCTYLIASA-N 280.327 3.531 30 20 CHED C=C[C@H](CC)OC(=O)c1ncc(C(F)(F)F)cc1Cl 1343163864 BDOGBFIAKXEEIN-MRVPVSSYSA-N 293.672 3.875 30 20 CHED C/C(=C\C(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1343310858 CFPTXAIENXJUAS-IEZBTEQYSA-N 280.302 3.500 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)CCCc2c(F)cccc2F)C1 1344683811 AWQHNIWRBUFAEZ-VXGBXAGGSA-N 293.313 3.523 30 20 CHED N#Cc1cc(C(=O)Nc2ccccc2NC2CCC2)cs1 1346292430 AUPKUSJOMRMZAI-UHFFFAOYSA-N 297.383 3.836 30 20 CHED C[C@@H](C(=O)O[C@H](CC#N)c1ccco1)c1cccc(F)c1 1346719680 BTRJIBZHRCGKRE-IAQYHMDHSA-N 287.290 3.720 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1351075776 BITZTFLUKYWMHU-BFHYXJOUSA-N 287.359 3.975 30 20 CHED CCOc1cccc(/C=C\C(=O)OCC2(C#N)CCCC2)c1 1357700072 CKFPWRMYIDUEHC-HJWRWDBZSA-N 299.370 3.726 30 20 CHED Cc1nc(N[C@H]2C[C@@H]2Cc2ccccc2)c(Cl)cc1C#N 1458198162 JOWTYOVOZPFQQD-BBRMVZONSA-N 297.789 3.958 30 20 CHED Cc1ccccc1CCN(C)c1snc(Cl)c1C#N 1472792118 KJCZUHUATHTMIS-UHFFFAOYSA-N 291.807 3.656 30 20 CHED CC1(C)CCC[C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)C1 1478830970 ZARZVJXUYFDFKR-YOEHRIQHSA-N 291.439 3.538 30 20 CHED CCCCCCCCCCC(=O)NC1CC2(CC(N)C2)C1 1515273927 YBYBIGXXYVQOCP-UHFFFAOYSA-N 294.483 3.903 30 20 CHED C=C[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 1519811653 HHQMYXGRFVGIIM-IAGOWNOFSA-N 299.414 3.564 30 20 CHED CC(C)c1ncc(C(=O)O[C@@H](CC#N)c2ccco2)s1 1526992063 IYDUYHDLGJXNEU-NSHDSACASA-N 290.344 3.671 30 20 CHED Cc1nc(C)c(C(=O)Nc2cc3ccccc3cc2C#N)o1 1528322430 MBBVQQHRRVFJQC-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H]1CC[C@H](C)C[C@H]1C 1532097096 PVCKNKAIHVGBKV-YNEHKIRRSA-N 251.370 3.684 30 20 CHED Cc1cc(C(=O)N2CCc3cc(C#N)ccc32)ccc1Cl 1535597425 MGBWGVRIEYMBAV-UHFFFAOYSA-N 296.757 3.723 30 20 CHED Cc1ccc(C#N)cc1N[C@H]1CCc2cccnc2CC1 1560497271 IZRUAZSVQQTCRT-INIZCTEOSA-N 277.371 3.621 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1Cc1cccc(C#N)n1 1560637661 KOTHTUYZWCVUFG-IBGZPJMESA-N 291.398 3.709 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CCC[C@H](SC)C1 1560744328 KIQPGLYBVAEHSO-STQMWFEESA-N 276.405 3.653 30 20 CHED O=C(CC(F)(F)F)Nc1ccc(C(F)(F)F)c(F)c1 1588210029 OZPGDRLCHDPYEO-UHFFFAOYSA-N 289.150 3.735 30 20 CHED CC(=NNc1ccc(C)c(C(=O)O)c1)C1CCSCC1 1609556692 FLJWQEVWWPIWPY-UHFFFAOYSA-N 292.404 3.624 30 20 CHED Cc1nsc(N(C)C[C@H](C)C2CCCCC2)c1C#N 1612727648 DAFVMEFXAKYVGL-NSHDSACASA-N 277.437 3.976 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)c1ccc(C#N)cc1F 1630365111 NVLPGMJGICFTNQ-JTQLQIEISA-N 288.347 3.592 30 20 CHED C[C@H]1CCC[C@H](N(C)CCc2ccc(C#N)cc2)C1 1644434406 OODAIWULANTTJG-YOEHRIQHSA-N 256.393 3.611 30 20 CHED Cc1cc(C)cc(CN2CCc3ccc(C#N)cc32)c1 1645169278 DRDUYVBOJCFORG-UHFFFAOYSA-N 262.356 3.738 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)sc1Cl 1650700898 AFWGSKTWVWYSIW-SAVGLBRCSA-N 293.823 3.905 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC2CCCC2)n1 1654963673 PQOIXXBBCUFSMU-UHFFFAOYSA-N 257.381 3.853 30 20 CHED Cc1ccccc1C[C@H](C)NC(=O)Nc1sccc1C#N 1671445632 WIOPQKKLLYODQU-LBPRGKRZSA-N 299.399 3.681 30 20 CHED C#C[C@]1(c2ccccc2)CCCN(C(=O)OC(C)(C)C)C1 2298025241 GZBCYVRMDAZSFN-SFHVURJKSA-N 285.387 3.589 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)Cc1cccs1 58453648 PAATXLDNRBRRNC-UHFFFAOYSA-N 285.372 3.592 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccnc2Cl)o1 176680067 AMHCAQUJYSZHSC-FNORWQNLSA-N 261.708 3.787 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nnc(CCCCC)s1 104979285 TZWDWRCRDBFULL-UHFFFAOYSA-N 296.440 3.701 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(OCC)cc2)c1 103028151 SYSZYZQYRHEWOS-UHFFFAOYSA-N 293.366 3.733 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 346820030 VLNVAJDSMPSZFU-GZBFAFLISA-N 255.365 3.642 30 20 CHED Cc1ccccc1NC(=O)CNc1ccc(Cl)c(C#N)c1 53898279 PUNRPTIOYKMBEG-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)s1 175752233 WYFAITANQSBQQL-LLVKDONJSA-N 271.341 3.846 30 20 CHED N#CCOc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 175006969 KWBDOJHCXOQNLJ-SFHVURJKSA-N 296.345 3.505 30 20 CHED C=CC[C@H](C)NC(=O)Nc1nnc(C(CC)CC)s1 116998832 ZJJQQYAKCCIWJJ-VIFPVBQESA-N 282.413 3.528 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@@H]1CSC)c1ccccc1 179326192 VFHXCOBDULVCKB-GOEBONIOSA-N 289.444 3.700 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1 176846066 YJMCJSDJDAHKME-AWNIVKPZSA-N 281.355 3.744 30 20 CHED N/C(=N/CCc1cc2ccccc2o1)NC1CCCCCC1 305748018 UEFMTHRJQTWLJU-UHFFFAOYSA-N 299.418 3.602 30 20 CHED N#Cc1ccc(Oc2ccccc2OCC(F)(F)F)nc1 60378045 CCIDOUNTGAUDHG-UHFFFAOYSA-N 294.232 3.687 30 20 CHED C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1ccc(F)cc1 174264615 SRPZUDPBDGMTBT-KBPBESRZSA-N 298.361 3.815 30 20 CHED C=CCN(CC=C)C(=O)c1cnc(-c2ccsc2)s1 112233057 CXNDZQHIVOEATL-UHFFFAOYSA-N 290.413 3.686 30 20 CHED C=CCCC[C@@H](C)Nc1nnc(-c2ccccn2)s1 302242822 YSOVXMFLOFDIEN-LLVKDONJSA-N 274.393 3.757 30 20 CHED N#Cc1c(NCCc2ccc(Cl)cc2)nc2ccccn12 302093807 NETJHSACOQKECM-UHFFFAOYSA-N 296.761 3.514 30 20 CHED CC[C@@]1(C)CCCN(c2cc(C(C)=O)ccc2C#N)C1 302127196 WVOKTPUCYOAUJK-KRWDZBQOSA-N 270.376 3.777 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)cc1 110718122 LVWKQYNNNZORSN-HOCLYGCPSA-N 270.376 3.647 30 20 CHED C[C@H]1CC[C@@H](N(C)c2ccc(C(F)(F)F)c(C#N)n2)C1 409653502 RLTMFBSIJJWDQE-VHSXEESVSA-N 283.297 3.597 30 20 CHED N#Cc1c(CN(C2CCCC2)C2CC2)cn2ccccc12 60562840 QJHLVMLFSIHSDZ-UHFFFAOYSA-N 279.387 3.718 30 20 CHED CCCCOc1ncccc1CNc1ccc(C#N)cc1F 301154070 QLLJWBOBXMCSBT-UHFFFAOYSA-N 299.349 3.883 30 20 CHED N#CCCCCNC(=O)NC1CCC(c2ccccc2)CC1 170886799 BDHVSHXGYJEVIC-UHFFFAOYSA-N 299.418 3.706 30 20 CHED C[C@H](CNCc1cc(C#N)cs1)Cc1cccs1 177706107 AQCTTWHAHXPBMF-NSHDSACASA-N 276.430 3.650 30 20 CHED C=C(C)CS[C@H](C)C(=O)NC[C@H](C)c1ccccc1 177864200 SHSJZEVHHGLHMV-UONOGXRCSA-N 277.433 3.604 30 20 CHED CC[C@H](c1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1 173956337 YTLVEWJTKKAEQS-QGZVFWFLSA-N 299.395 3.624 30 20 CHED CSCc1ccc(Nc2ncccc2C#N)cc1 301526125 JBWISDPNHPQFNY-UHFFFAOYSA-N 255.346 3.560 30 20 CHED CC(C)(C)SCCNc1ccc(Cl)c(C#N)n1 67371617 RHXBYAPNPLJEBD-UHFFFAOYSA-N 269.801 3.550 30 20 CHED C#CCCCCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 180491764 AJRAUOVDXRSCAP-UHFFFAOYSA-N 291.301 3.633 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 185623134 LBQIEWQIWNYTPF-ZFWWWQNUSA-N 287.378 3.580 30 20 CHED C[C@H](N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc(C#N)cc1 181847023 COXGSNYYBRAMGG-WBAXXEDZSA-N 294.402 3.589 30 20 CHED CCCCCCCC(=O)NCCC[C@@H]1CCCCO1 183401149 NJKNKUDXYFLPFO-HNNXBMFYSA-N 269.429 3.812 30 20 CHED O=C(/C=C/c1cnn(Cc2ccc(F)cc2)c1)c1ccco1 187213215 WOPHJLGPVREHFQ-VMPITWQZSA-N 296.301 3.560 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(-n2cccc2)c1 181690005 QZFCUDLQRZMAHA-UHFFFAOYSA-N 269.348 3.517 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(CN(CC)CC)cc1 188368165 VSTIQVMUHKQDBE-UHFFFAOYSA-N 286.419 3.516 30 20 CHED C=CCCN[C@H](C)c1ccc(OCC2CC2)c(F)c1 181577000 LGPHQAGUIQCEHE-GFCCVEGCSA-N 263.356 3.841 30 20 CHED C=CCCCSC[C@@H]1CCN(C(=O)c2ccccc2)C1 419420745 KNEOAWUNWCZWMY-OAHLLOKOSA-N 289.444 3.848 30 20 CHED N#Cc1ccc(OCC2(C#N)CCC2)c2ccccc12 419055910 OYONGRDWEPURAB-UHFFFAOYSA-N 262.312 3.784 30 20 CHED CCc1ccc([C@@H](C)Nc2ncc(C#N)cc2F)cc1 413031231 XBNYEOMJQKGWEE-LLVKDONJSA-N 269.323 3.828 30 20 CHED C#CCCCCNC(=O)[C@H](CCC=C)c1ccccc1 188545670 JZTQLSHSLKXTLV-QGZVFWFLSA-N 269.388 3.656 30 20 CHED CC(=O)c1ccc(C(=O)OCC2(C#N)CCCCC2)cc1 183149650 QUUTXJUGFLVNQT-UHFFFAOYSA-N 285.343 3.520 30 20 CHED C=CC[C@H](C(=O)NC[C@]1(C)CCCS1)c1ccccc1 188543872 IZJSRYNHJNSAGE-RDJZCZTQSA-N 289.444 3.748 30 20 CHED C=C(C)CCN1CCn2cccc2[C@H]1c1ccccc1 509380043 RAPVHNNXEIIVEZ-GOSISDBHSA-N 266.388 3.859 30 20 CHED C#Cc1cccc(NC(=O)c2ccc3ccccc3c2O)c1 314008584 FQQRKVIWIDOJIA-UHFFFAOYSA-N 287.318 3.779 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 182683512 JEJMVDIIPZMZTR-CABCVRRESA-N 272.392 3.812 30 20 CHED C=CC[C@H](C(=O)N1CCC2(CCC2)C1)c1ccccc1 188547072 VSUJITBANQUXSZ-INIZCTEOSA-N 269.388 3.749 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)NCc1ccccc1F 419434712 BLEYHMQVJYLMIW-LBPRGKRZSA-N 281.396 3.530 30 20 CHED C=CCC[C@@H](NCc1nc(C(C)C)no1)c1ccccc1 180039130 SHPPSRBMPCJBSE-OAHLLOKOSA-N 285.391 3.990 30 20 CHED Cc1ccc2cc(C(=O)OCC3(C#N)CCCC3)ccc2n1 183899469 RAABLNURFVBFPV-UHFFFAOYSA-N 294.354 3.784 30 20 CHED CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 181551797 RTVIHBDBRUQWDL-KSSFIOAISA-N 280.371 3.597 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(C(F)(F)F)n1 187875147 YGLJKRKJTPZMHW-GFCCVEGCSA-N 272.270 3.641 30 20 CHED N#CC1(CCSCCOCC(F)F)CCCCC1 419464616 NNSSOACTQLXXSF-UHFFFAOYSA-N 277.380 3.865 30 20 CHED Cc1ccc(SCC(=O)N[C@](C)(C#N)CC(C)C)cc1 502448365 XCCKBMAEXOUZBD-INIZCTEOSA-N 290.432 3.532 30 20 CHED CC(C)COc1cccc(NCc2cc(C#N)n(C)c2)c1 189588319 KTWOGKVHTWXCIW-UHFFFAOYSA-N 283.375 3.544 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 180950198 RDNMMSNLBBZWSS-LSDHHAIUSA-N 299.418 3.555 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1nccs1 414302525 MOIQIAJIHISEHU-DZGCQCFKSA-N 272.417 3.981 30 20 CHED C=CCOc1cccc(NC(=O)CC2CCSCC2)c1 134862942 TYORYBUHJAGEOD-UHFFFAOYSA-N 291.416 3.723 30 20 CHED N#Cc1ccsc1NC(=O)C(C1CCC1)C1CCC1 288194111 SCVLZMCZTSPXBQ-UHFFFAOYSA-N 274.389 3.775 30 20 CHED C=CCCCCNCC1CCN(C(=O)OC(C)(C)C)CC1 380953232 SGOQJRGIQWHPSD-UHFFFAOYSA-N 296.455 3.579 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](C)Oc1ccccc1 45934994 ZZJYZCMSTBWSER-INIZCTEOSA-N 295.382 3.669 30 20 CHED COc1cc(OCc2nc3ccccc3s2)ccc1C#N 195094154 PDBHUJAWJOUTDB-UHFFFAOYSA-N 296.351 3.756 30 20 CHED C=CCSCCNC(=O)N[C@H](CCC)c1ccccc1 195730069 NGQNXAPGXBGWSN-OAHLLOKOSA-N 292.448 3.746 30 20 CHED C=CCCCCCN1CCN(C2CCC2)C[C@@H](C)C1 429378218 HAJUXHAWJFBETC-INIZCTEOSA-N 264.457 3.539 30 20 CHED Cc1occc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191877 JBDZSJOKYICPTN-UHFFFAOYSA-N 294.232 3.731 30 20 CHED Cc1ccc(C[C@@H](C#N)SCc2ccco2)cc1 514993899 DSUJWQXZZUDXHU-HNNXBMFYSA-N 257.358 3.956 30 20 CHED CCN(CC#N)CCCc1c(Cl)cccc1Cl 428471850 COOYECQFXFLUTF-UHFFFAOYSA-N 271.191 3.771 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C(C)C)cc1 131543118 SOMDYSRDURDEHZ-IUODEOHRSA-N 286.375 3.503 30 20 CHED COc1cccc(/C=N/C[C@@H](C)Oc2ccccc2C)c1O 132401931 XQCSKYJPBCRFOG-ONDHQXCVSA-N 299.370 3.596 30 20 CHED CC1=C(/C(O)=N/Cc2noc3c2CCCC3)CCC1 329764192 VLRCMQIBYHHBNT-UHFFFAOYSA-N 260.337 3.510 30 20 CHED CC[C@@H](NCc1cc(C)cc(N)c1)c1ccc(C#N)cc1 423488796 ZFJRCSKWQXUGEJ-GOSISDBHSA-N 279.387 3.690 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1csc2ccccc12 339174224 RMGJECGMLZTXGN-LLVKDONJSA-N 272.373 3.666 30 20 CHED CC(C)N(C(=O)c1ccccc1OCC#N)c1ccccc1 194207448 LLGDNBMNZASIQO-UHFFFAOYSA-N 294.354 3.644 30 20 CHED N#CCN(Cc1cccc(OC(F)(F)F)c1)C1CCCC1 93563384 LKTNWQZPXVSYSH-UHFFFAOYSA-N 298.308 3.853 30 20 CHED CC(C)(C)c1csc(CN[C@H]2CCC[C@@H](C#N)C2)n1 192835330 WGPWRHVRJMDBKE-NEPJUHHUSA-N 277.437 3.613 30 20 CHED CC(C)c1ncc(N=C(O)c2csc(C3CC3)n2)cn1 330080018 GGNCOJIUJQFUKO-UHFFFAOYSA-N 288.376 3.570 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3c(F)cccc32)c(F)c1 334483838 YTTDJNUNEQBFSI-QGZVFWFLSA-N 284.309 3.614 30 20 CHED CCN(C(=O)c1ccncc1C)c1ccc(C#N)c(Cl)c1 336312334 UXPLWVBALRFXPJ-UHFFFAOYSA-N 299.761 3.582 30 20 CHED C[C@H](/N=C(/O)[C@H]1CCC(O)=N1)c1cc2cccc(F)c2o1 330023514 ITXHRAYAFBNDTP-GZMMTYOYSA-N 290.294 3.708 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1C[C@H]1C1CCCCC1 432286086 XDSYYPWDUDWRDY-DOTOQJQBSA-N 297.402 3.957 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1cccc(C#N)c1C 337758762 NOCGOTGFKUHIGV-UHFFFAOYSA-N 292.382 3.837 30 20 CHED CC(C)C1CCC(N(C)C(=O)NCCCCC#N)CC1 433325371 FZOCIIDSYKCSOB-UHFFFAOYSA-N 279.428 3.536 30 20 CHED CCN(C(=O)C=C1CCC1)c1ccc(C#N)c(Cl)c1 91206317 QFCLWSLEBLPBPD-UHFFFAOYSA-N 274.751 3.675 30 20 CHED N#Cc1ccc(Cn2cnc3ccccc32)c(OC(F)F)c1 439548104 HUACABIZKPGFSY-UHFFFAOYSA-N 299.280 3.558 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1nc(CCC)cs1 439390753 ZYEACYYAOAGBKH-JTQLQIEISA-N 267.398 3.572 30 20 CHED CC(C)c1cccc(NC(=O)N2CCC(CC#N)CC2)c1 335723776 KMEXZROORHQYLA-UHFFFAOYSA-N 285.391 3.968 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1cc(F)c(F)c(F)c1 330547101 VRMJDQFDCPVDAB-CQSZACIVSA-N 284.281 3.737 30 20 CHED Cc1ccc2nc(C(=O)Nc3ccc(C#N)cc3)ccc2c1 338635106 BOYOAMFVFIXPBP-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C[C@@H](NC(=O)NCCCC(C)(C)C)c1ccc(C#N)cc1 523524396 OURWRMYGOKZDGI-CYBMUJFWSA-N 287.407 3.745 30 20 CHED Cc1ccnc(N[C@H]2C[C@H](c3ccccc3)C2)c1C#N 435592060 JCXBKVDIXVRONE-SHTZXODSSA-N 263.344 3.620 30 20 CHED C[C@H](NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)c1ccc(C#N)cc1 246608639 DJWJJKPQLMKYPO-YGHPHNMRSA-N 288.394 3.795 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@H](SC)C1)C1CC1 438990108 HPXPCDFKGUDIFM-ILXRZTDVSA-N 253.455 3.995 30 20 CHED CSc1ccc(CCNc2cc(C)nc(C#N)c2)cc1 343033205 ISKRJZVDBOJVAL-UHFFFAOYSA-N 283.400 3.638 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](C(F)(F)F)C1(C)C 602630437 PMOZJKCKTHLECT-WDEREUQCSA-N 262.319 3.589 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@H]1CCCC 604897894 MFOJFJNVLVHQJN-MJBXVCDLSA-N 252.402 3.609 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)[C@@H](c2ccccc2)CO1 245409826 ODJUFPIJSGRQOB-DOTOQJQBSA-N 286.419 3.778 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2[nH]c(C)cc2c1 527894900 SJSRNYIATMMXGV-UHFFFAOYSA-N 269.348 3.745 30 20 CHED CC[C@H](C)n1[nH]c(=N[C@H](C)c2cccc(C#N)c2)cc1C 525951848 ATVBCJHXJCAPSI-GXTWGEPZSA-N 282.391 3.629 30 20 CHED Cc1cccc([C@H](C)C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 434034253 CDMZSKQQFKQOJM-GOEBONIOSA-N 284.403 3.639 30 20 CHED Cc1cccc(C(NC(=O)[C@@H](C)C#N)c2cccc(C)c2)c1 439055554 FFZHCHWLKBGLLY-HNNXBMFYSA-N 292.382 3.669 30 20 CHED C=CCCN(C)Cc1ccc2cc(OC)ccc2c1 525328851 OOSHQZJDQZYFQS-UHFFFAOYSA-N 255.361 3.856 30 20 CHED C(=NOCc1cc(-c2ccccc2)on1)c1cccs1 255238122 LQFRXQWWPHKQTP-UHFFFAOYSA-N 284.340 3.954 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(COC2CCCCC2)c1 347045020 YRDOBCWQKXHXCU-ZDUSSCGKSA-N 286.375 3.634 30 20 CHED Oc1ccccc1C=Nc1cccc(OC[C@H]2CCCO2)c1 255657547 SATRBVQGIUFHTP-QGZVFWFLSA-N 297.354 3.701 30 20 CHED C=CC[C@H](C)NC(=O)COc1ccc(C(C)C)c(C)c1 523963137 ZPSZZYTUIMUXTR-AWEZNQCLSA-N 275.392 3.578 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)on1 524195116 TXFCRQCQNMKFQA-SNVBAGLBSA-N 290.750 3.689 30 20 CHED C=CCC1(C(=O)N(C)Cc2cnc(C)s2)CCCC1 449788004 XCMQXMJBUCSUPN-UHFFFAOYSA-N 278.421 3.546 30 20 CHED Clc1ccc(CON=Cc2cccs2)cc1 250089287 OKSGMZQWTNDHBM-UHFFFAOYSA-N 251.738 3.952 30 20 CHED C=CCCCN1CCC[C@@H]1c1cccc(N(C)C)c1 441371613 MPNPFFCRIZLVQG-QGZVFWFLSA-N 258.409 3.856 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCC#Cc1ccc(F)cc1 445902900 HKEDRVUCHRWHHD-CQSZACIVSA-N 287.300 3.744 30 20 CHED CC(C)(C)c1cnc(NC(=O)c2ccccc2CC#N)s1 601256545 SMSBNZUFZIRVDG-UHFFFAOYSA-N 299.399 3.759 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)cc1 254966890 IZQNVGJEWXGDAA-YWEYNIOJSA-N 256.276 3.736 30 20 CHED CCc1ccc(CCC(=O)Nc2ccc(F)c(C#N)c2)cc1 609103368 RLMVJIJRKWBXFO-UHFFFAOYSA-N 296.345 3.831 30 20 CHED COc1cc(F)c(F)cc1NCc1cc(C#N)ccc1F 357194422 WVKVYLAHMKMGFD-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=CCN(CC=C)Cc1nnc(-c2cccc(Cl)c2)o1 359387533 NAMZLLSXQBWLFV-UHFFFAOYSA-N 289.766 3.564 30 20 CHED CC[C@@H](CNC[C@H](C)CCC#N)Oc1cccc(C)c1 602519412 DWBMVMLQVPYIIC-CVEARBPZSA-N 274.408 3.682 30 20 CHED CCCCN(Cc1ccccc1F)C(=O)[C@@]1(C#N)C[C@H]1C 448671194 OLIFFUXDZUQOKQ-CXAGYDPISA-N 288.366 3.504 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Oc2ccc3cccnc3c2)c1 359857813 QXGQTOKXQZPIBH-UHFFFAOYSA-N 291.266 3.807 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1ccc(Cl)c(F)c1 441426474 YMTOWRBUTGRREF-UHFFFAOYSA-N 282.746 3.772 30 20 CHED N#Cc1ccc(CNc2cc3c(cn2)CCCC3)c(F)c1 359467406 ASUZOEIHZOSSSY-UHFFFAOYSA-N 281.334 3.583 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC(C)(C)C1 352080024 SWHHLTCVAZWBDW-ZDUSSCGKSA-N 271.364 3.567 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 264569913 RDBMACQBUCSLLG-FSPWUOQZSA-N 292.382 3.561 30 20 CHED CCS[C@H]1CCCCN(Cc2ccccc2C#N)C1 353589504 HDXYNMHRGQJHTK-INIZCTEOSA-N 274.433 3.666 30 20 CHED Cc1ccc(CCCC(=O)N2CCC[C@@](C)(C#N)C2)s1 612250104 FMQBIKPNGPOBLT-INIZCTEOSA-N 290.432 3.532 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC2(CCC2)c2c(F)cccc21 351834655 LKBPUKZODDVZRS-INIZCTEOSA-N 286.350 3.534 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@](C)(C#N)C2)c1 612122620 YQUZOWUGJPFYNO-MAUKXSAKSA-N 299.418 3.700 30 20 CHED C=CCC[C@@H](Nc1cccc(C(=O)NCC)c1)C1CC1 537515898 CZMIXNBPEDWKBL-MRXNPFEDSA-N 272.392 3.593 30 20 CHED COc1ncc(CSc2ccccc2C#N)cc1Cl 611029754 SQIOBDSBPPSUND-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=CCOCCCSCC(=O)Nc1ccc(Cl)cc1 359106869 OKLPVBHLYUQFDV-UHFFFAOYSA-N 299.823 3.604 30 20 CHED CCCCN(C)CC#Cc1ccc(OC(F)(F)F)cc1 448196474 KTYITIQMKSUZKH-UHFFFAOYSA-N 285.309 3.669 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@](C)(C#N)C1 612165187 LACGUTIKZBJHNN-XJKSGUPXSA-N 287.363 3.590 30 20 CHED CC(C)(CCC#N)CNCc1c(F)c(F)cc(F)c1F 610583420 BBFAQQTXXNROOD-UHFFFAOYSA-N 288.288 3.663 30 20 CHED C=C(CC)CNCc1cnc(C2CCCC2)s1 449732347 LKZGXVOTERVTKO-UHFFFAOYSA-N 250.411 3.857 30 20 CHED C=CCCCC[C@H](C)Nc1cccc(C(=O)N(C)C)c1 449045109 DYPSIEISUWDFNA-AWEZNQCLSA-N 274.408 3.935 30 20 CHED C=C1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 264097919 BNILQBBTFAREID-UHFFFAOYSA-N 282.387 3.669 30 20 CHED Cc1cc(C)n(CCS[C@@H](C)c2cccc(C#N)c2)n1 443145596 MRKVBVCWBQHQNK-AWEZNQCLSA-N 285.416 3.866 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H](C)CCCc1ccccc1 611415015 YXUXWZDFIZXWIO-NVXWUHKLSA-N 286.419 3.700 30 20 CHED CCc1ccc([C@@H](C)C(=O)N2CCC[C@@](C)(C#N)C2)cc1 612238310 YQNKAIJWSMJGTK-KDOFPFPSSA-N 284.403 3.505 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(F)cc1C#N 535117680 QYRXXGGOZHTHID-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=CCOc1cccc(NC(=O)[C@H]2CC[C@H](C)C2)c1 538445606 KNAORWAZHQLTSN-STQMWFEESA-N 259.349 3.626 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 617789993 ZOADPILUJQLRGG-FXUDXRNXSA-N 261.409 3.627 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc2ccccc2c1 457711003 PNKOZZLEIUUUDZ-CYBMUJFWSA-N 268.360 3.709 30 20 CHED C=CCSc1ccccc1C(=O)N1CCCC[C@H]1C 362535038 RXVXGVANWGMKDF-CYBMUJFWSA-N 275.417 3.979 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 455371998 UNMQVJNSACRFRP-ZBFHGGJFSA-N 286.419 3.786 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCC(=O)c2cccs2)C1 617789601 NQVKZOSHCRVFTF-ZDUSSCGKSA-N 291.416 3.526 30 20 CHED Cc1ccc(NC(=O)c2ccc(C#N)s2)c2cccnc12 362891708 AGZBHNJWLPCAPJ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(C(C)C)cc2)no1 453084529 MBYGXFYMOIHXRK-CABCVRRESA-N 284.359 3.919 30 20 CHED CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)C1(C)C 619755327 XFKIEQZFENNXRC-HUUCEWRRSA-N 292.810 3.505 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)CCCCC1 456417582 KRFVGFOHXKLUFZ-KGLIPLIRSA-N 287.407 3.532 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@H](C)c2cccc(C#N)c2)C1 610363084 TYIYCDWZJVCPOS-XJKCOSOUSA-N 270.376 3.562 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc2cc(OC)ccc2[nH]1 613908616 JIPATOGEJWUJPE-UHFFFAOYSA-N 272.348 3.717 30 20 CHED CC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)s1 276958099 LLIHUEIICCKIRK-LBPRGKRZSA-N 293.823 3.853 30 20 CHED C=CCC[C@H](NCC(C)(C)C[C@@H](C)O)c1ccco1 276443502 KONAXIYZVDZNIO-KGLIPLIRSA-N 265.397 3.674 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]1F 458877644 HCEGQWDIQMYXLZ-CABCVRRESA-N 282.403 3.655 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2ccc(C)nc2)cn1 452155013 WSSPBQRXOSMWQS-CYBMUJFWSA-N 295.386 3.993 30 20 CHED CC1(C)C[C@H](Nc2ncccc2C#N)c2ccc(F)cc2O1 366294736 FRXGGYGKHROZEI-AWEZNQCLSA-N 297.333 3.807 30 20 CHED C=C[C@@H](C)NC(=O)C1(c2cccc(Cl)c2)CC(C)C1 450096048 FIZTWKUFVCIYEO-BWBHSNQOSA-N 277.795 3.698 30 20 CHED C=CCC1(C(=O)NCCSCC(F)(F)F)CCCC1 450359518 GZJFGNGUSNRAIW-UHFFFAOYSA-N 295.370 3.535 30 20 CHED C=C(C)CN(CC)Cc1cccc(O)c1Br 459302151 RXKSDJJPMJYJFC-UHFFFAOYSA-N 284.197 3.553 30 20 CHED C=CCN(C(=O)c1cnnc(-c2ccccc2)c1)C(C)(C)C 622945768 RZKQAJYNZQRAOJ-UHFFFAOYSA-N 295.386 3.570 30 20 CHED CCCc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccn1 361313273 IICRYHCXDHJQHX-UHFFFAOYSA-N 299.761 3.811 30 20 CHED COc1ccc(CCN[C@H](C)c2ccc(C#N)c(F)c2)cc1 271952189 ROYNGYWEQIOHLI-CYBMUJFWSA-N 298.361 3.599 30 20 CHED Cc1ccc([C@H](NCC2(C#N)CCC2)c2ccccn2)cc1 450889696 RVGLZEDYAOLTGB-SFHVURJKSA-N 291.398 3.763 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(C[C@@H](C#N)CCC#N)C2)cc1 278367474 BSCNCAIZCTZYFO-JFIYKMOQSA-N 281.403 3.616 30 20 CHED C=C(C)CN(C)C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 455213382 QRQPLORESGJNHD-DLBZAZTESA-N 286.419 3.788 30 20 CHED C=CCN(C(=O)C[C@@H]1C[C@@H]1C)c1nc2c(s1)CCCC2 361348035 GOYBGMJHOKRWME-RYUDHWBXSA-N 290.432 3.587 30 20 CHED C=CCN(Cc1cn2cccc(C)c2n1)Cc1cccs1 620643798 KDHCAACVXCKDTM-UHFFFAOYSA-N 297.427 3.892 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1C(=O)CC(C)(C)C#N 452230013 JBVORNJYHAMJRA-AXFHLTTASA-N 290.329 3.504 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)/C=C/c1ccc2[nH]ccc2c1 274305981 HDVZWYMJGXILMI-JHTBKMLMSA-N 295.386 3.626 30 20 CHED CC[C@H](CC(F)(F)F)Nc1nc2c(cc1C#N)CCC2 546882009 MMCGPWGZCMMZCD-LLVKDONJSA-N 283.297 3.585 30 20 CHED C=CCN(C(=O)C[C@@H]1CCO[C@H](CC)C1)c1ccccc1 273017407 WOLKSBTYQSTLKK-NVXWUHKLSA-N 287.403 3.801 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc2c(c1)N(C(N)=O)CC2 278587676 HXUZMQLGXIFNHR-CQSZACIVSA-N 287.407 3.675 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(C)cc1OCC 544175617 ZITLZTOGBCQCEQ-OAHLLOKOSA-N 290.407 3.548 30 20 CHED C=CCCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1 466631174 RVOIINJKUILGAX-UHFFFAOYSA-N 290.750 3.643 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](c1ccc(OC)nc1)C1CC1 624346777 YZFYTXPKDCSIBN-OGHNNQOOSA-N 274.408 3.732 30 20 CHED COc1ccc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1C#N 542052468 QRPUFQKPCMUZRM-XKQJLSEDSA-N 284.403 3.577 30 20 CHED C=C[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1Cl 626066375 GOCRINOYCAQFOB-ZETCQYMHSA-N 277.673 3.663 30 20 CHED C[C@H](C#N)CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 546654545 GRRASASCBPIFMB-UGFHNGPFSA-N 262.784 3.725 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(C(F)(F)F)nc1 620863466 VYEQJUGBDDMUEY-UHFFFAOYSA-N 286.297 3.575 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1Cc2ccccc2C1 460386533 KROFCPVFWLHEHM-CQSZACIVSA-N 296.418 3.888 30 20 CHED C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 281146781 BCZYUYNNUAJLJJ-SJLPKXTDSA-N 298.430 3.780 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C 284173585 KPBVHWHSQMFOEL-HZSPNIEDSA-N 284.359 3.518 30 20 CHED C=CCOCCN1CCC[C@@H]1c1ccccc1Cl 559049722 VZHWZBXRGUTKFU-OAHLLOKOSA-N 265.784 3.680 30 20 CHED C[C@@H](OCCCNc1cc(C#N)ccn1)c1ccccc1 283690999 YRENNWUTFDLYOZ-CQSZACIVSA-N 281.359 3.533 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2C[C@H](c3cccc(F)c3)C2)C1 280534104 ACMUVWIUIWWQSH-SDNTUTLCSA-N 272.367 3.744 30 20 CHED C=C(C)CCc1noc(-c2noc3c2CCCCC3)n1 289034417 GONSUZVUDCEDTC-UHFFFAOYSA-N 273.336 3.502 30 20 CHED Cc1ccccc1C[C@@H](C)NCCc1cccc(C#N)c1 466422449 UBGSEAQLNXWSCD-MRXNPFEDSA-N 278.399 3.630 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1COCc2ccccc21 550940334 UTYOBGLCNPEUAD-PBHICJAKSA-N 259.393 3.982 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC(C)C)cc1C 556795484 VSFOTWNHHCNCEI-UHFFFAOYSA-N 261.365 3.933 30 20 CHED CC(C)(C)C1=CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 466489250 AEVUDDMBSYMEAB-UHFFFAOYSA-N 285.347 3.649 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)NCC(C)(C)CCC#N)CC1 557983521 KEBQXOJNMVMCBQ-SHTZXODSSA-N 278.440 3.895 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@@H]1CCCOC1 388951333 UQAHXCZAVLUSBJ-WDEREUQCSA-N 298.308 3.804 30 20 CHED Cc1ccc(NC(=O)C2CC2)cc1NCCC(C)(C)C#N 288739580 OUNOPVMIQKBWPB-UHFFFAOYSA-N 285.391 3.695 30 20 CHED C=CCC[C@H](NCCCc1nccs1)c1ccco1 286220558 SGXBZWOIROGNQQ-ZDUSSCGKSA-N 276.405 3.966 30 20 CHED CCC(C)(C)N(C)Cc1cc(C#N)ccc1Br 471076347 VBKBOIAQIGDZHA-UHFFFAOYSA-N 295.224 3.941 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 476026354 NEYCFYXEHQLCFF-QFBILLFUSA-N 298.430 3.844 30 20 CHED C=CCCCCNC1CCN([C@H]2CCCC[C@H]2C)CC1 471598750 YFVUKEDVKWOUHE-AEFFLSMTSA-N 278.484 3.975 30 20 CHED CCC(=NN[C@@H](C)CCc1ccc2c(c1)OCO2)C1CC1 802714364 LSFMCTZWBBEQPP-LBPRGKRZSA-N 288.391 3.502 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C=C/c2ccccc2)cc1 809257391 KLQZRMHOTGYVAZ-LVMGUKCRSA-N 290.366 3.643 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OCCc2cccs2)c1 803831458 SNOFKFJSJKOYHN-UHFFFAOYSA-N 291.759 3.673 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cnc(C)s1 299130194 LKIHXGMRRVFTTB-UHFFFAOYSA-N 285.416 3.735 30 20 CHED C#C[C@H](CC)NC[C@H](C)c1ccc(C(F)(F)F)cc1 809685905 YKPIYOGEKVPUPN-SMDDNHRTSA-N 269.310 3.810 30 20 CHED C=C(CNCc1cccc(O)c1Cl)c1ccccc1 645150963 XNJATTJPXNEPDI-UHFFFAOYSA-N 273.763 3.849 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCOc2ccccc21 805221560 PUZKMIHFHJAFPE-MRXNPFEDSA-N 287.403 3.805 30 20 CHED N#Cc1csc(C(=O)NC[C@@H](c2ccccc2)C2CC2)c1 294754443 ZJAWFOUWPKZELU-HNNXBMFYSA-N 296.395 3.543 30 20 CHED COC1(CN[C@@H](C)c2ccc(C#N)cc2)CCC(C)CC1 479502292 LYJMIQIDTHKDHK-CSLYMUCUSA-N 286.419 3.804 30 20 CHED CSc1ccccc1NC(=O)[C@@]1(C#N)CC12CCCC2 298008421 ZTLCMGCLQRBGPX-INIZCTEOSA-N 286.400 3.821 30 20 CHED Cc1ccc2c(c1)CCN2c1nc(Cl)c(C#N)s1 804591185 FXYAMVJHQFFWCM-UHFFFAOYSA-N 275.764 3.671 30 20 CHED Cc1cc(C#N)nc(Nc2ccc(OC(C)(C)C)cc2)n1 561211031 JNAPBXYTSUIENO-UHFFFAOYSA-N 282.347 3.578 30 20 CHED CC[C@H](CC#N)NCc1nc2ccccc2c(C)c1Cl 567404168 ZOJCIVMYPUHYLY-GFCCVEGCSA-N 287.794 3.979 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1C[C@@]1(C)C(C)C 477016559 CVNQUYBTSHXEAQ-ZBFHGGJFSA-N 251.414 3.873 30 20 CHED C=CCOCCCN1C[C@H](c2ccc(F)cc2)C[C@H]1C 470790317 RMRQCUSMFYAPED-GDBMZVCRSA-N 277.383 3.596 30 20 CHED C=CCCCCCCN[C@H](c1ccccc1)c1nnc[nH]1 290332590 OZUUGEKXUJARNT-MRXNPFEDSA-N 284.407 3.620 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2c(F)cccc2Cl)no1 290245326 SLRYGAHKAQZIGV-AWEZNQCLSA-N 293.729 3.644 30 20 CHED C[C@H](SCCO[C@H](C)C#N)c1nc2ccccc2o1 802753109 WTXKEAWIUJQWES-MNOVXSKESA-N 276.361 3.551 30 20 CHED C=CCN(CC=C)C(=O)NCc1cccc(C(F)(F)F)c1 298666031 RWPQJXJMODYSKI-UHFFFAOYSA-N 298.308 3.589 30 20 CHED C=CCCCCNC1CCN([C@@H]2CCCC[C@@H]2C)CC1 471598751 YFVUKEDVKWOUHE-FUHWJXTLSA-N 278.484 3.975 30 20 CHED Cc1cc(CN(C)CC(C)(C)C#N)c(OC(F)F)cc1C 560569610 NKGJUWRXBSWAOT-UHFFFAOYSA-N 296.361 3.886 30 20 CHED C=CCC(C)(C)C(=O)N1CC(Cc2ccccc2C)C1 645747209 NFMFRWFVNIHIFL-UHFFFAOYSA-N 271.404 3.598 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@H](C(=O)O)[C@H](C)C1 814858743 FQDWWMXKNZJPGK-IPYPFGDCSA-N 282.428 3.812 30 20 CHED CCCOc1c(C=NOCC2CC2)cccc1OCC 814243981 AGTAZIHMZAWHKS-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C=CCOCCCc1nc([C@@H]2CCCC[C@@H]2CC)no1 567359056 HZMGRIRFRHGPKU-UONOGXRCSA-N 278.396 3.889 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CC[C@H](C)C1 489032736 AZVMMCLMZIMJEH-KBXCAEBGSA-N 286.419 3.504 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 812176454 CBJAPUKHOVYTKX-QAPCUYQASA-N 298.430 3.971 30 20 CHED C=C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 489185467 OUHYVOFYHPANPH-ZDUSSCGKSA-N 260.337 3.616 30 20 CHED Cc1cc(F)ccc1[C@@H](C)NCc1ccc(OCC#N)cc1 815591866 SNZHIPUMBSEMOI-CQSZACIVSA-N 298.361 3.887 30 20 CHED C=CCCNC/C(C)=C/c1ccccc1OC(F)F 657583967 UUSICWJFGJIXOX-ZRDIBKRKSA-N 267.319 3.857 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC1CC2(CCC2)C1 651452554 PMSFECJUEBDFJB-UHFFFAOYSA-N 290.432 3.778 30 20 CHED Cc1c(C=NN[C@H]2CCOC2)sc2c(Cl)cccc12 814916416 ALIHJLZXEHFKNO-JTQLQIEISA-N 294.807 3.576 30 20 CHED c1ccc(-c2csc(NN=C3CCn4cccc43)n2)cc1 818265255 GKCDPYQDTLFYLG-UHFFFAOYSA-N 294.383 3.832 30 20 CHED C=C[C@H]1CCCCN1Cc1csc(-c2ccoc2)n1 489482852 SGMSCHPTNQZGPE-AWEZNQCLSA-N 274.389 3.944 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC(C)(C)C(C)(C)O 658032932 YRXSZYPXMHSNGP-KGLIPLIRSA-N 253.430 3.508 30 20 CHED CN1CCCN(Cc2ccc(C#N)cc2)c2cc(F)ccc21 481095552 SYRFVUUYAUYQQK-UHFFFAOYSA-N 295.361 3.544 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc3[nH]ccc3c2)c1 811638946 IJQZVCPCXVUNQG-UHFFFAOYSA-N 285.297 3.570 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1scnc1C1CC1)C2 811694122 NQDZIUBBZLKIDF-NTUHNPAUSA-N 292.363 3.715 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2snc(Cl)c2C#N)o1 725788276 PUVYLIRXNJLJCV-CBAPKCEASA-N 293.779 3.997 30 20 CHED COc1cccc(-c2n[nH]cc2C=NOC2CCCCC2)c1 814908959 DBKAWBLPPLZVTK-UHFFFAOYSA-N 299.374 3.769 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccccc2-n2cncn2)s1 726744183 WDYWDCYFPOHKTD-BQYQJAHWSA-N 295.367 3.533 30 20 CHED CC#CCCNCc1ccc(Oc2ccccc2)o1 482158107 RLJJOQMOWIVKNJ-UHFFFAOYSA-N 255.317 3.575 30 20 CHED N#CCSCCCOC(=O)/C(F)=C/C1CCCCC1 814545574 XIVRWBDNEQBMPT-QBFSEMIESA-N 285.384 3.610 30 20 CHED C#Cc1cccc(NC(=O)c2ccn(C(C)C)c2C)c1 814862118 GFUJFEQOYBWDPV-UHFFFAOYSA-N 266.344 3.611 30 20 CHED CCc1ccccc1NN=Cc1ncc(Cl)s1 814801880 OGSOJUYZMUEANX-UHFFFAOYSA-N 265.769 3.805 30 20 CHED C#Cc1cccc(N(C)C(=S)Nc2ccc(OC)cc2)c1 728447626 KDCPFQJQLAXHJF-UHFFFAOYSA-N 296.395 3.510 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 481658709 MGZZHNIZKHJOFX-NWDGAFQWSA-N 289.354 3.645 30 20 CHED CCCCCCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 727977313 FPEFVYJOJHTCEE-UHFFFAOYSA-N 288.351 3.824 30 20 CHED C=CC[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccncc1 827862611 LEXPXZHYHRSMCD-INIZCTEOSA-N 297.402 3.679 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc(NC(=O)OC)cc1 496648139 SHKUIBRMMNMDBE-UHFFFAOYSA-N 291.347 3.510 30 20 CHED C=CCn1c(C)nnc1SC[C@@H]1CCCC[C@H]1C 570651236 SFGZSIZETMYVHM-YPMHNXCESA-N 265.426 3.691 30 20 CHED CSc1ccc(CCCC(=O)OCCCCC#N)cc1 829621655 VEVVRFGFCKHPTO-UHFFFAOYSA-N 291.416 3.968 30 20 CHED C#Cc1cccc(N(C(=O)Cc2cccc(C)c2)C(C)C)c1 728245870 LBDCUZNTLIOBMC-UHFFFAOYSA-N 291.394 3.960 30 20 CHED C[C@@](C#N)(NC(=O)C[C@H]1C=CCCC1)C1CCCCC1 582881205 JYUFNPFQFXXVMU-YOEHRIQHSA-N 274.408 3.712 30 20 CHED CCO[C@H]1CCCC(=NOCc2ccccc2OC)C1 905467770 IBMCODIJVJZGTK-HNNXBMFYSA-N 277.364 3.547 30 20 CHED C#CCO[C@H](C)C(=O)Nc1ccc(C(C)C)cc1C(C)C 822483218 WPTAHLUASKRQBX-CQSZACIVSA-N 287.403 3.910 30 20 CHED CSc1ccc(/C=C\C(=O)c2cncs2)cc1 735792298 BFMDJFASNPKOML-DAXSKMNVSA-N 261.371 3.761 30 20 CHED C=CCOCCN(CC)[C@H](CC)Cc1ccccc1 582289212 ITDPUMPJHJDVNZ-QGZVFWFLSA-N 261.409 3.532 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](CC)C2CC2)c1 665847140 JGMYQUXWZFRSHO-OAHLLOKOSA-N 274.364 3.562 30 20 CHED Cc1ccncc1/C=C/C(=O)Nc1ccc(C#N)c(Cl)c1 492452442 DCMPPMGPAMWBDL-HWKANZROSA-N 297.745 3.567 30 20 CHED C[C@H](C[C@H]1CCOC1)Nc1cc(C#N)ccc1C(F)(F)F 589583426 BAJMRAXPXBJIHC-ZYHUDNBSSA-N 298.308 3.804 30 20 CHED C#CCOc1ccc(CNCC2(c3ccccc3)CC2)cc1 733323940 APGXBOLUCYEIRA-UHFFFAOYSA-N 291.394 3.520 30 20 CHED C=C[C@H](CC)Cc1nc(COCc2ccccc2)no1 903996822 JWEJNSMAAZAVIH-CYBMUJFWSA-N 272.348 3.541 30 20 CHED CC(=NNc1ccccc1)c1cc(F)c(F)c(F)c1 730429888 KLUDHQYUQUSVDS-UHFFFAOYSA-N 264.250 3.940 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C#CC(C)(C)C 837428427 JJVFXHTUFGUZJW-HIFRSBDPSA-N 287.378 3.580 30 20 CHED CC(=NN[C@@H]1CCOC1(C)C)c1oc2ccccc2c1C 835013610 FHHRRGYXBGQUNG-OAHLLOKOSA-N 286.375 3.622 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccccc1C(C)(F)F 836727988 TXTAJBUDKPCPEB-LLVKDONJSA-N 280.318 3.722 30 20 CHED C#CCCCCCC=NNc1cc(F)cc(OC)c1 834961225 JELLUSLSJJCPQF-UHFFFAOYSA-N 262.328 3.816 30 20 CHED C#CCC[C@H](C)OC(=O)COc1ccccc1C(C)C 839032003 JSWURIRLEZWAAX-AWEZNQCLSA-N 274.360 3.534 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(Br)cc1O 834902973 MQNKAYAZOLSPAX-JTQLQIEISA-N 284.197 3.772 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2NCC2(C#N)CC2)cc1 584876000 LUYGCTZADQVQRM-JKSUJKDBSA-N 254.377 3.525 30 20 CHED CS[C@@H](C)CC(=O)OCCCCC1(C#N)CCC1 909102932 HTUNNKFUDIYKTR-LBPRGKRZSA-N 269.410 3.535 30 20 CHED Cc1cccc(CC(=O)O[C@H]2CCC[C@H](C#N)C2)c1Cl 839060929 ZYMGBSBSAFNTDI-JSGCOSHPSA-N 291.778 3.817 30 20 CHED CCN(CC)c1ccc(/C=N\[C@@H]2CC=CCC2)c(O)c1 735978851 MYKJPDBSDVGFAK-QLENYVDCSA-N 272.392 3.766 30 20 CHED C=CCNC(=S)N1CCCCC[C@H]1c1ccc(C)o1 737464953 DMUQUQKFNBFYAH-ZDUSSCGKSA-N 278.421 3.566 30 20 CHED Cc1nsc(Nc2cccc(COC(C)C)c2)c1C#N 588814715 XOPKMTKAKARLPL-UHFFFAOYSA-N 287.388 3.992 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)c1cccc(C#N)n1 589350470 BAZNHCXEKIZBFZ-KRWDZBQOSA-N 293.370 3.567 30 20 CHED N#Cc1ccc(F)c(COC(=O)/C=C/C2CCCCC2)c1 735564257 JWPRYWRTYADHGI-VQHVLOKHSA-N 287.334 3.877 30 20 CHED C#CCOC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 919508588 IRPKDDGDVQUANR-MRVPVSSYSA-N 289.183 3.650 30 20 CHED C=CCCCCOC(=O)c1cnc(-c2ccccc2)[nH]1 837533720 VLWXDQVDIBBFMR-UHFFFAOYSA-N 270.332 3.590 30 20 CHED Cc1cc(F)ccc1/C=C1\Oc2ccccc2C1=O 742436790 NTNDFVRQCMWVQB-DHDCSXOGSA-N 254.260 3.750 30 20 CHED C=CC[C@H](NC(=O)N[C@H](C1CCC1)C1CC1)c1ccncc1 838478071 SGDXARLYHRFOCF-DLBZAZTESA-N 299.418 3.577 30 20 CHED Cc1cc(N2CCC[C@@](C)(C#N)C2)nc(-c2cccs2)n1 591155182 SIQNHRZBNVNQJE-INIZCTEOSA-N 298.415 3.644 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@H](C)C1CCCC1 749401240 VAKMOFBOSVTSRM-GFCCVEGCSA-N 289.350 3.603 30 20 CHED CCN(C(=O)CCC(C)(C)c1ccccc1)[C@@H](C)C#N 598358406 OPCKSQCYKZKTSC-AWEZNQCLSA-N 272.392 3.505 30 20 CHED C#CCOc1ccc(-c2nc(C3CCCCC3)no2)cc1 743274765 DPSKKMLCFOMUKO-UHFFFAOYSA-N 282.343 3.796 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(Cl)nc1 748781426 ZDJAYKVAEPJHSA-UHFFFAOYSA-N 284.750 3.529 30 20 CHED C[C@@H](CCN1CCC[C@H](CC#N)C1)c1ccccc1 597176137 FSMLBKQLTQUECD-JKSUJKDBSA-N 256.393 3.806 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1ccc(C#N)s1 749314033 LWCZBVRVICAVEY-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1C[C@@H](C)O[C@H]1C 840871049 BICFWMYUFOHRHR-FZKCQIBNSA-N 253.430 3.915 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCCc3ccc(Cl)cc32)C1 599095448 UYZYNKQYKZBEIQ-DJSGYFEHSA-N 274.795 3.999 30 20 CHED Oc1cccc(/C=N\CC2(c3ccc(F)cc3)CCC2)c1O 749451762 JWGFQTQCMLROMB-JAIQZWGSSA-N 299.345 3.778 30 20 CHED CCOc1cccc(/C=N\[C@@H]2CCC[C@@H](C)C2)c1O 914702766 LLBXOIQJGIGHDY-NJPOPAGRSA-N 261.365 3.789 30 20 CHED C#CCNC(=O)N(C)Cc1c(CCCC)oc2ccccc12 915908315 OAAXLRKLRAUKRC-UHFFFAOYSA-N 298.386 3.550 30 20 CHED C=CCOc1ccc(OC(=O)c2cccs2)cc1 742864820 YVAPCVJMWQEOJB-UHFFFAOYSA-N 260.314 3.532 30 20 CHED C#CC[C@@H](OC(=O)c1[nH]c(-c2ccccc2)nc1C)C(C)C 747196690 UWJYYIFFOWPRJW-OAHLLOKOSA-N 296.370 3.590 30 20 CHED CC1(C)CC[C@H]1NCc1cc(Cl)ccc1OCC#N 846961072 NEGYKBSHTMFYRE-CQSZACIVSA-N 278.783 3.521 30 20 CHED C=C(C)CONC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 845592616 FTMOMNWRYIEFMX-AWEZNQCLSA-N 276.380 3.514 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cncnc1CC 917871072 ISKDVAHTCDYXMH-CQSZACIVSA-N 291.439 3.765 30 20 CHED CCN(C(=O)c1oc2ccc(Cl)cc2c1C)[C@@H](C)C#N 598354268 QCBVQBYXCILPDX-VIFPVBQESA-N 290.750 3.769 30 20 CHED CCc1nocc1CON=C(c1ccccc1)C(F)(F)F 848740938 MQNPXSGXECRUBJ-UHFFFAOYSA-N 298.264 3.720 30 20 CHED COc1cc2ccc([C@H](C)NCCCC#N)cc2cc1OC 595033707 SJHIGUDVPZOTTR-ZDUSSCGKSA-N 298.386 3.811 30 20 CHED C=CCOc1ccc(-c2nc(CCc3ccco3)no2)cc1 680784821 CIECRNRQOFGSCG-UHFFFAOYSA-N 296.326 3.680 30 20 CHED CCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103776 DYIPFSOWFFGIAJ-MRVPVSSYSA-N 298.289 3.901 30 20 CHED C=CC[C@H](C(=O)N(CC)Cc1ccoc1)c1ccccc1 681659483 QFLUXBPNLLEYCS-KRWDZBQOSA-N 283.371 3.988 30 20 CHED N#CC[C@H]1CCCN(Cc2csc(-c3ccco3)n2)C1 595610800 CLVAJVSZGBXXDI-GFCCVEGCSA-N 287.388 3.529 30 20 CHED CC(=NN=C(C)C12CC3CC(CC(C3)C1)C2)c1cnccn1 745201052 DZKSQFSBTHAXMS-UHFFFAOYSA-N 296.418 3.878 30 20 CHED Cc1cc(C#N)ccc1CSC[C@H]1C[C@H]2CC[C@H]1O2 591402497 PTOOIFGXESAXIX-BZUAXINKSA-N 273.401 3.667 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)/C=C/Sc1ccccc1 749616087 UCEDHBNACLDHFU-ZNFPLGDCSA-N 288.416 3.737 30 20 CHED C=CCN(C(=O)Cc1ccc(CCCC)cc1)C(C)C 914682849 LTTYLQAUMSZUGW-UHFFFAOYSA-N 273.420 3.995 30 20 CHED CCOc1cccc(C(=O)/C=C\c2ccc(O)cc2)c1 743539208 XUNMFROVAVPWIG-FLIBITNWSA-N 268.312 3.687 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)CC#N)c1c(Cl)cccc1Cl 591169298 IBIVYZAEFUCIRI-ZJUUUORDSA-N 299.201 3.857 30 20 CHED C=CC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccncc1 925073168 BCNZRTYFHXQVTH-DZGCQCFKSA-N 257.381 3.617 30 20 CHED CCC1(C(=O)Nc2nc(Cl)c(C#N)s2)CCCCC1 841224684 UNNKEFMYPTWENV-UHFFFAOYSA-N 297.811 3.967 30 20 CHED CCOc1ccc(C=Nc2ccccc2F)c(O)c1 920945920 KJHLSOSZFBAANN-UHFFFAOYSA-N 259.280 3.681 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1S[C@H]1CCSC1 849892965 UNRCMBFWLCJIOH-QMMMGPOBSA-N 290.335 3.570 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1ccc(C=NOC)cc1 849157259 FJFWNCKFAOFYLX-CQSZACIVSA-N 290.407 3.613 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)CC(C)(C)C)c1 840837762 SUACRLZRGWITLF-GFCCVEGCSA-N 274.433 3.779 30 20 CHED CC[C@H](C#N)C(=O)N(CC)c1ccc2ccccc2c1 845349371 HZRGAGYOIUTWAA-CYBMUJFWSA-N 266.344 3.742 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1ccc(C(F)F)nc1 853340534 ARZRHFYYTGZPOW-CYBMUJFWSA-N 281.350 3.912 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc(Cl)cc1)OCC 756468481 BHICQOWZBIXIGY-AWEZNQCLSA-N 282.767 3.755 30 20 CHED CCCCCCCNC(=O)N[C@@H](C)c1c(F)cncc1F 858113154 CRRKMHIUFINLHL-NSHDSACASA-N 299.365 3.690 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1Cc2ccc(F)cc21 684387821 QUUHNAACCWNIPR-SFHVURJKSA-N 295.357 3.680 30 20 CHED Cc1cccc2c1CCN(Cc1ccc(F)c(C#N)c1)C2 758708172 BDZPXMPJCZIPJF-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=CC(C)(C)CCOC(=O)c1cnc([C@H]2CCCO2)s1 851299447 MCIGVFOZJZOPMG-LLVKDONJSA-N 295.404 3.754 30 20 CHED C[C@H]1CC[C@H](CC(=O)OCc2ccc(F)cc2C#N)C1 759399991 IEEAHDFCZPAWLX-RYUDHWBXSA-N 275.323 3.567 30 20 CHED C[C@H](OC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)C(C)(C)C#N 850906526 LHEXVTKOHKTPKE-IGQOVBAYSA-N 263.381 3.684 30 20 CHED Cc1ccc(C#N)cc1-c1nc([C@@H]2CCC(F)(F)C2)no1 924057580 MVVGSPWTQYJUDW-LLVKDONJSA-N 289.285 3.820 30 20 CHED Cc1ccc(C=NN[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 920385926 LDWNGPUFMKUWHU-ZDUSSCGKSA-N 283.331 3.588 30 20 CHED COc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c2ccccc12 858522620 CHZXSSSRMFRXRN-CHWSQXEVSA-N 266.344 3.953 30 20 CHED Clc1cccc2c1CCC2=NN=c1cc[nH]cc1Cl 756838599 MIISMXHGKGUAML-UHFFFAOYSA-N 292.169 3.573 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H]2C[C@@H]2c2ccccc2)n1 755745410 TYCYFUBSUURMIT-CHWSQXEVSA-N 286.766 3.640 30 20 CHED C#CCCOc1ccc(C=NNc2ccc(F)cc2)cc1 920361674 VMPJMPUKJGINTI-UHFFFAOYSA-N 282.318 3.674 30 20 CHED C=CCCCCCCNCc1c(C2CC2)cnn1C 850296978 CKIZCAGDERTGEW-UHFFFAOYSA-N 261.413 3.524 30 20 CHED Cc1ccc(N(CCC#N)C(=O)/C=C2\CC[C@@H](C)C2)cc1 753594547 DOOMVRQYYOSWIV-WTNDLDAUSA-N 282.387 3.988 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(-c2csnn2)cc1 926049141 MNYVPJBIRFLTFL-LLVKDONJSA-N 286.404 3.945 30 20 CHED C=CCNC(=S)N(C)c1ccc(CCCC)cc1 751904396 YPIFBOBTAHEROZ-UHFFFAOYSA-N 262.422 3.526 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)cc2O)cc1OC 757474474 BSIPZHHFDVYFPR-YVMONPNESA-N 298.338 3.614 30 20 CHED C=C1CCN(C(=O)c2ccc([C@@H](C)CC)cc2)CC1 755327279 RTBBKQAVDCTUER-AWEZNQCLSA-N 257.377 3.992 30 20 CHED CCCN(CC(C)C)C(=O)Nc1sccc1C#N 931845069 LRUFWRMIGGSKRX-UHFFFAOYSA-N 265.382 3.520 30 20 CHED CC(=NNc1cccc2cnccc12)c1cscn1 767907827 GUWJVQLGZJXGGU-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C[C@@H](c1noc(Cc2ccccc2CC#N)n1)C(C)(C)C 762144368 GEXVOWQQNNJFQB-LBPRGKRZSA-N 283.375 3.876 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 935323598 HRCNAZPUSIYZHL-QRTARXTBSA-N 282.387 3.517 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnn(-c2ccccc2)c1C 934993624 HEIKGDKAAKJMKR-CQSZACIVSA-N 283.375 3.722 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1sccc1O 769779981 JNVLNHIRSLECJH-UHFFFAOYSA-N 268.288 3.568 30 20 CHED C#CCCc1noc(-c2cc(C3CC3)nc3ccccc23)n1 762017578 HPQHNTVUEGDUDW-UHFFFAOYSA-N 289.338 3.728 30 20 CHED C#CCN(CCCC1CCOCC1)[C@H]1CCc2ccccc21 765920040 BPYFALMKJCWMDP-FQEVSTJZSA-N 297.442 3.816 30 20 CHED C#CCOc1ccc([C@@H](C)NC[C@@H]2Cc3ccccc32)cc1 765755965 VAUVXVRPNRJMRH-QAPCUYQASA-N 291.394 3.689 30 20 CHED N#Cc1ccc(CNN=C2CCC[C@@H]2c2ccccc2)cc1 769820945 NNNKMAHSADENFK-GOSISDBHSA-N 289.382 3.972 30 20 CHED C=CCCc1ccccc1NC(=O)N1C[C@H]2C=C[C@H]1C2 879495776 VULKWMOEBQDXJG-ZFWWWQNUSA-N 268.360 3.597 30 20 CHED C[C@@H]1CC/C(=C\C(=O)Nc2cc(C#N)c(F)cc2F)C1 876345302 CXFAYEYVRHUDNB-RAJVOEEQSA-N 276.286 3.521 30 20 CHED Nc1ccc(C=NNCc2cccc(Cl)c2)cc1Cl 1116365438 LVQNVQGCUISFQC-UHFFFAOYSA-N 294.185 3.699 30 20 CHED C1CC[C@@H]2CC(=NOC3CCOCC3)CC[C@H]2C1 774458558 NDJANJDKZYBWFL-CHWSQXEVSA-N 251.370 3.528 30 20 CHED COC[C@@H](C)C(C)=NNc1nc2ccccc2cc1C 777890926 XDCXVWZXQXZFCH-GFCCVEGCSA-N 271.364 3.614 30 20 CHED C=CCN(C)C(=O)/C=C(/CC)c1cccc(Cl)c1 777842925 KTCSAMFJQYKQEI-QXMHVHEDSA-N 263.768 3.778 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cc(Cl)cc(Cl)c1F 870183100 RWMCUAYLXZJXRQ-JTQLQIEISA-N 290.121 3.837 30 20 CHED Fc1cc(C=NOC2CCCC2)ccc1OC(F)F 774596959 NHKWYMKYSZDQRE-UHFFFAOYSA-N 273.254 3.720 30 20 CHED Cc1ccc(Oc2ncc(C#N)cc2Cl)c(Cl)n1 777788406 YOPMDEZAEYUZJQ-UHFFFAOYSA-N 280.114 3.756 30 20 CHED C=C(Cl)CN[C@H]1CCCOc2cc3c(cc21)CCC3 773003813 HKCNIFRNUHLZGK-HNNXBMFYSA-N 277.795 3.731 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)c1ccc(C)cc1 779806377 QKCBVYKUEIWAMP-HNNXBMFYSA-N 257.377 3.756 30 20 CHED C#CCCCCCCNCc1nc(C)c2ccccc2n1 876996886 HHPLKCCTMOPVDO-UHFFFAOYSA-N 281.403 3.612 30 20 CHED Cc1ccc(/C=C2\C(=O)Nc3cc(C#N)ccc32)cc1C 773160017 KKELPAHWCAWMMI-PXNMLYILSA-N 274.323 3.668 30 20 CHED C=C(C)CNc1cc(Cl)ccc1OC[C@@H]1CCOC1 777620833 WKHFVCJFGROONS-GFCCVEGCSA-N 281.783 3.743 30 20 CHED C=CCCOC(=O)C1(Cc2cccc(F)c2)CCC1 773999446 RNEKBBKIZSWHTJ-UHFFFAOYSA-N 262.324 3.658 30 20 CHED CCOc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1 776359621 LPZFTJVZKXIRKO-MRXNPFEDSA-N 287.359 3.715 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cnc(Cl)cc1C#N 1121114617 CXMZEYLSJNORIB-GXSJLCMTSA-N 291.782 3.617 30 20 CHED C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)C1 776508511 STMIHRQEFZKAIU-SNPRPXQTSA-N 278.355 3.847 30 20 CHED Cc1ccccc1/C=C1/CC(=O)Nc2ccccc2C1=O 774145800 QUDQTNVRXFALQG-UVTDQMKNSA-N 277.323 3.604 30 20 CHED COc1ccsc1/C=C/C(=O)c1cccc(F)c1F 776268829 VUPCPJCJILPSET-AATRIKPKSA-N 280.295 3.931 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1ccc(Cl)c(C#N)c1 779762541 IMSVKYWRJGNBRF-KTKRTIGZSA-N 262.740 3.897 30 20 CHED Cc1cc(C)cc(CCC(=O)OCCC(C)(C)C#N)c1 777170321 NAFGEKPTDCTHNI-UHFFFAOYSA-N 273.376 3.719 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](F)Cc2ccccc2)c1 777986365 ZTNQCHMGCIIQDF-GOSISDBHSA-N 295.357 3.602 30 20 CHED C[C@@H]1CCC[C@H](OCC(=O)O[C@H](C#N)C2CCCCC2)C1 776384198 DTLHVMCYMIXSSL-VNQPRFMTSA-N 293.407 3.597 30 20 CHED CCC(Cc1ccc(C)cc1)=NN[C@H]1CCOC(C)(C)C1 780253361 SKWXUDVTWPXHSA-KRWDZBQOSA-N 288.435 3.851 30 20 CHED C=CCCCCCOC(=O)c1cnccc1Cl 784494792 QKACKQJSYRADHJ-UHFFFAOYSA-N 253.729 3.638 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cnc3ccccn23)cs1 787479432 HAUXJCZLCZLLBH-VOTSOKGWSA-N 297.383 3.810 30 20 CHED C=C(C)CCC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 1122953836 QPMNOOVLWCLTTO-LLVKDONJSA-N 282.265 3.633 30 20 CHED CC(=NNc1cc(C)ccn1)c1csc(Cl)c1 787158317 TZNDLLBQQGGLQQ-UHFFFAOYSA-N 265.769 3.941 30 20 CHED CC(=NN[C@@H]1CCOC1)c1ccc(-c2cccs2)cc1 788439921 OUCMWOLXLOHVMU-OAHLLOKOSA-N 286.400 3.518 30 20 CHED CC1CCC(N(C)C(=O)Nc2cc(C#N)ccc2F)CC1 888352577 YEJQUWMTYOVXGO-UHFFFAOYSA-N 289.354 3.740 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 783857074 RRLPVPNVGFIQHX-GFCCVEGCSA-N 272.270 3.672 30 20 CHED C#CCCCCCC(=O)OCC(=O)c1ccc(Cl)cc1 780254507 APPZXDNTNUWWOW-UHFFFAOYSA-N 292.762 3.650 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1csc(C#N)c1 1129864058 MVAMFKGDWWBZQB-STQMWFEESA-N 290.432 3.956 30 20 CHED C=C[C@](C)(O)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 896273266 JRSHYMRSQHXXEE-KRWDZBQOSA-N 286.375 3.514 30 20 CHED CC1(C)CCC[C@H]1NN=C/C=C\c1ccccc1[N+](=O)[O-] 782287189 KWYIEGVYESEADW-OTSSGEEWSA-N 287.363 3.762 30 20 CHED C=C1CC(c2noc(-c3cc4c(OC)ccc(F)c4[nH]3)n2)C1 896877548 MTZVFYZJGCWFKO-UHFFFAOYSA-N 299.305 3.799 30 20 CHED CC(C)(C)[C@@H]1CCCC(=NN[C@H]2CCCOC2)CC1 780256885 DHZWGOZPPTXBGE-HIFRSBDPSA-N 266.429 3.737 30 20 CHED CCOc1ccccc1C(=O)OCc1ccc(C#N)c(C)c1 782022403 SLCWHIGHQBYHEE-UHFFFAOYSA-N 295.338 3.622 30 20 CHED C=C1CN(C(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)C1 898699864 UDVUJZKVHKLPJG-GOEBONIOSA-N 279.424 3.541 30 20 CHED CC1(C(=O)Nc2cc(C#N)ccc2O)CCCCCC1 781349487 DZTWWOWVGDZASN-UHFFFAOYSA-N 272.348 3.563 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCc2cccc(F)c2)cc1 796041039 WWEXJHOHRUIMHA-UHFFFAOYSA-N 297.329 3.984 30 20 CHED C=CCCCCC[C@H](C)NCC1(C)CCOCC1 793550838 RXIOXJYGXWOYFV-HNNXBMFYSA-N 253.430 3.918 30 20 CHED CCc1onc(-c2ccccc2)c1C(=O)OCCCCC#N 795936321 ZUEQMVIHZSAJFF-UHFFFAOYSA-N 298.342 3.755 30 20 CHED C#Cc1cncc(C(=O)N[C@@H](CC)c2ccc(Cl)cc2)c1 798156241 YOFRIVWJRSVHOR-INIZCTEOSA-N 298.773 3.597 30 20 CHED Cc1cccnc1NN=C1Cc2ccc(Cl)cc2C1 790193198 XUEOBLWBGZPCOG-UHFFFAOYSA-N 271.751 3.610 30 20 CHED CC(COC(C)C)=NNc1nc2ccccc2s1 799866185 WYFHXHGBIHCVPY-UHFFFAOYSA-N 263.366 3.509 30 20 CHED CC(C)=CC/N=C\c1cc(Br)ccc1O 790100274 HDTAQJGLKHUJOZ-ZSOIEALJSA-N 268.154 3.540 30 20 CHED CCCCCCCC(C)=NNc1ncncc1F 793214288 GSCAQJAKFPYNGX-UHFFFAOYSA-N 252.337 3.764 30 20 CHED Cc1ccccc1COC(=O)N(CCC#N)CCC(C)C 1209344030 XEESXGGSWYJZMQ-UHFFFAOYSA-N 288.391 3.893 30 20 CHED C=C(Cl)C[S@@](=O)[C@@H]1CCc2cc(Cl)ccc21 794791435 VRVBUVUBKUDGLE-MLGOLLRUSA-N 275.200 3.829 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc3ccccc3c2)o1 796749375 UHTSAAFCYJPLJI-UHFFFAOYSA-N 263.252 3.524 30 20 CHED CCCC(=NNc1cccc(F)n1)c1ccsc1 795009710 JGMYVBMLPZNTEQ-UHFFFAOYSA-N 263.341 3.899 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2nc(C(C)C)no2)CCC1 791564290 GJJYQGPPCQUZMN-LLVKDONJSA-N 278.352 3.544 30 20 CHED O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccnc(F)c1 794722988 ZVHKZHCCYJGPIR-VOTSOKGWSA-N 294.285 3.772 30 20 CHED FC(F)(F)Sc1ccc(C=NNc2cncnc2)cc1 794976816 QTNQWSPWRBDNIY-UHFFFAOYSA-N 298.293 3.535 30 20 CHED N#CC[C@H](CC(=O)OCC1CCCC1)c1ccccc1 795979847 FHDOFXHDBXLEPP-MRXNPFEDSA-N 271.360 3.807 30 20 CHED CC(C)(C)C1CCN(N=Cc2cnc3ccccc3n2)CC1 790181491 QXPATGBRMKAHHM-UHFFFAOYSA-N 296.418 3.722 30 20 CHED C=CCCCOC(=O)[C@@H](OC(C)C)c1ccccc1 796411652 ARHSURJWFPQGAB-HNNXBMFYSA-N 262.349 3.662 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cn(C(C)(C)C)nn2)cc1 790173404 ISSRUOAJHZKKRU-UHFFFAOYSA-N 299.422 3.777 30 20 CHED C[C@H](NC(=O)/C=C\c1ccccc1C#N)[C@@H]1C[C@H]2CC[C@H]1C2 799473234 YIXRNVSBJZUEGH-YMQHLZLHSA-N 294.398 3.512 30 20 CHED CCC1=C(C(=O)N(CCC#N)c2ccc(C)cc2)CCCO1 790532549 BRUFVPINVGHUDB-UHFFFAOYSA-N 298.386 3.716 30 20 CHED COC(=O)c1csc(C(C)=NOC2CCCCC2)c1 794933139 OOUDZGMRLSDIHI-UHFFFAOYSA-N 281.377 3.608 30 20 CHED Cc1ccc(CN(C)Cc2ccc(F)cc2C#N)cc1C 1141167611 RKSOYPINHHQXAY-UHFFFAOYSA-N 282.362 3.946 30 20 CHED Cc1cccc([C@H](N=c2cc[nH]c(C#N)c2)C(C)(C)C)c1 1307069507 XRCKKRZJQTVYIH-KRWDZBQOSA-N 279.387 3.883 30 20 CHED CC(C)(C)ON=Cc1sc(N2CCCC2)nc1Cl 1319803201 QYJJNNVFEPNJCR-UHFFFAOYSA-N 287.816 3.546 30 20 CHED COc1cc(C#N)ccc1CN[C@@H](C)[C@H]1CCC[C@H](C)C1 1171190092 POSHOJCCENRKCN-DZKIICNBSA-N 286.419 3.871 30 20 CHED N#Cc1cc(NCc2cc(F)cc(F)c2)ccc1F 83451353 HJOQOVZJHCRPLM-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CCOc1ccc(OCCSCC2(C#N)CC2)cc1 1320081254 KLKXMFOTWIWPMV-UHFFFAOYSA-N 277.389 3.501 30 20 CHED CCC1(CC)[C@@H](Nc2nc(C#N)c(Cl)s2)C[C@@H]1OC 1185897503 DSSYUBFAANFBAI-UWVGGRQHSA-N 299.827 3.674 30 20 CHED CC[C@H](CC(=O)OCc1ccc(C#N)cn1)c1ccccc1 1326395866 CUXSGVWGXKJQCB-OAHLLOKOSA-N 294.354 3.580 30 20 CHED C=CC[C@@H]1CCCN(Cc2cncc(Br)c2)C1 661379731 HOLLGAFOTJQIBU-GFCCVEGCSA-N 295.224 3.632 30 20 CHED C=CCCCN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 749506232 VOZJJLRBSYAFAB-IRXDYDNUSA-N 277.383 3.680 30 20 CHED C[C@@H]1CC(NCc2cccc(OCC#N)c2)C[C@@H](C)C1 84972854 OHKHLFFJFXARHZ-KBPBESRZSA-N 272.392 3.503 30 20 CHED C[C@H]1CC[C@H](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 1257872936 SWZATNSFEMTXJO-AAEUAGOBSA-N 267.332 3.587 30 20 CHED CC(C)(CC#N)CN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1182261759 NKQMJRSSVNTYFD-JKSUJKDBSA-N 286.419 3.762 30 20 CHED CCSCc1ccc(C(=O)N(CC)[C@H](C#N)CC)cc1 1339067085 OKWAVVSISNFCEU-HNNXBMFYSA-N 290.432 3.704 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1CCC[C@H](OC)C1 1337550894 LWKAIZNBFUAPIG-XHSDSOJGSA-N 279.424 3.539 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCCCCCC(C)=O 1347523107 UPWPDGIQQDIWAS-INIZCTEOSA-N 279.424 3.873 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@@H]1CCSC1)c1cccs1 1345146880 JKYCDCOQLCXXQC-NQBHXWOUSA-N 295.429 3.635 30 20 CHED Cc1ccc(NC(=O)c2ccsc2C#N)c2cccnc12 1357583237 SBWJHTRPBKQJQC-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1cc(C#N)ccc1F 1515192440 HCUQFZCXJMHHSG-CHWSQXEVSA-N 296.345 3.619 30 20 CHED C[C@H]1CC=C(C(=O)O[C@H](CC#N)c2ccco2)CC1 1518001432 MFGWLGJYPJURTJ-SMDDNHRTSA-N 259.305 3.524 30 20 CHED CCN(C(=O)c1[nH]ccc1C)c1ccc(C#N)c(Cl)c1 1519600674 BMVKCPVQUXOPBM-UHFFFAOYSA-N 287.750 3.515 30 20 CHED C[C@@H](Nc1cc(C#N)cnn1)c1ccc(F)c2ccccc12 1458411584 AMOYFUGGUPAXKL-LLVKDONJSA-N 292.317 3.814 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)c(F)cc1F)c1ccsc1 1535439282 GVSWUEJBNTXWEB-MRVPVSSYSA-N 292.310 3.640 30 20 CHED CC(C)CC[C@H](Nc1cncc(C#N)n1)C(C)(C)C 1611987087 LIUJXUHBKRPXSM-ZDUSSCGKSA-N 260.385 3.611 30 20 CHED CC(C)C[C@H]1CCCCCN1Cc1cc(C#N)ccn1 1473176684 NWAJUXUYRZXSTG-QGZVFWFLSA-N 271.408 3.744 30 20 CHED C[C@@H]1CCCC[C@H]1CNc1c(C#N)cccc1C#N 1472678011 ACKJMHYWWYJDCK-DOMZBBRYSA-N 253.349 3.668 30 20 CHED C[C@H](c1ccccc1)N(C)c1nc(C#N)c(Cl)s1 1611738036 RZMAFLAVPZQSBE-SECBINFHSA-N 277.780 3.866 30 20 CHED CC[C@@H]1CCC[C@H]1Nc1nc(C#N)c(Cl)s1 1642442200 XYXOEXPKDXWIRN-HTQZYQBOSA-N 255.774 3.659 30 20 CHED CCCC[C@@H](CC)Cn1cc2c(c(C#N)c1=O)CCCC2 1643959288 WVWMRWWUUPVHSM-CQSZACIVSA-N 286.419 3.815 30 20 CHED Cc1cc(Sc2c(F)cc(F)cc2F)c(C#N)cn1 1655008021 WGWYLDXQBCMAGS-UHFFFAOYSA-N 280.274 3.830 30 20 CHED C[C@@H]1CN(C(=O)[C@@H](CC#N)c2ccccc2)c2ccccc21 1584292339 XNULLNYFMREXPK-PBHICJAKSA-N 290.366 3.834 30 20 CHED C=CC[C@H](N[C@@H]1CC(C)(C)CCc2ccccc21)C(=O)O 1588745500 JLGCOSSCVZAIFY-JKSUJKDBSA-N 287.403 3.709 30 20 CHED Cc1ccc([C@H]2CCN(CC3(CC#N)CC3)C2)c(C)c1 1658527215 JQBKTPPXWAHATJ-INIZCTEOSA-N 268.404 3.787 30 20 CHED C=CC(C)(C)CC(=O)Oc1cccc(C(C)(C)C(=O)O)c1 1588673384 UNNDSDUOWQPDRR-UHFFFAOYSA-N 290.359 3.557 30 20 CHED COc1ccc2c(c1)[C@H](Nc1snc(C)c1C#N)CCC2 1651702926 OYBFXURNFHNWOE-OAHLLOKOSA-N 299.399 3.821 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CSc1ccc(C)cc1C 1585342954 MXJKIYNOFYLEGV-AWEZNQCLSA-N 290.432 3.546 30 20 CHED CCc1ccc2c(c1)CCN(Cc1ccc(C#N)cc1C)C2 1660701751 XFDXQPMBQAGTKY-UHFFFAOYSA-N 290.410 3.987 30 20 CHED CCCc1ccc(C(C)=NNc2ccc(C(=O)O)nc2)cc1 1776068648 PCWACHACKNHJBU-UHFFFAOYSA-N 297.358 3.568 30 20 CHED Cc1c(NN=C2CCCCC2(F)F)cccc1C(=O)O 1776089310 LTDXSSHJVKEPDT-UHFFFAOYSA-N 282.290 3.670 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CC(CCC)CCC)C1 1776154487 DFAREOSUDNUZPJ-KRWDZBQOSA-N 281.440 3.946 30 20 CHED C[C@H]1CCCCN1CCC1CCN(CCCCC#N)CC1 158946782 RTQDPCYFWHYLRM-KRWDZBQOSA-N 291.483 3.657 30 20 CHED O=C(/C=C\c1cnn(-c2ccccc2)c1)c1cccc(F)c1 205511441 ZIMUKDCEIXUXFR-KTKRTIGZSA-N 292.313 3.908 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc3c(c2)CCC3)CC1 152972650 XINNBQKZWRWXBQ-INIZCTEOSA-N 298.474 3.866 30 20 CHED C=CCc1cc(CNc2cccc(C)n2)cc(OC)c1OC 157303354 XEZXJFFCTZUGQT-UHFFFAOYSA-N 298.386 3.748 30 20 CHED C#CCCCOC(=O)c1cccc(-c2ccccn2)c1C 155925724 QTGZKQSUOMISAF-UHFFFAOYSA-N 279.339 3.627 30 20 CHED N#Cc1csc(/C=C/C(=O)c2cc(Cl)ccc2O)c1 156678586 HNVXRNGSMGNMLV-DUXPYHPUSA-N 289.743 3.875 30 20 CHED CCn1cc(CC(=O)O[C@@H](C#N)C(C)(C)C)c2ccccc21 154549372 MFXJPEQDJUWQIL-INIZCTEOSA-N 298.386 3.685 30 20 CHED CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)s1 156845586 BCEZHICELGEFRQ-UHFFFAOYSA-N 299.443 3.708 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 226189016 ZMIWOJHHTCTMMV-NTZNESFSSA-N 273.336 3.703 30 20 CHED N#Cc1cc(Cl)nc(N2CC[C@H](c3ccccc3)C2)c1 122757149 WFIMUSXUMJXPTB-AWEZNQCLSA-N 283.762 3.601 30 20 CHED C[C@H](CCc1ccco1)Nc1ccc(C#N)cc1F 42323451 IWGCYLBNHBJCSL-LLVKDONJSA-N 258.296 3.724 30 20 CHED N#Cc1ccc(OCc2ccc(F)c(C#N)c2)c(Cl)c1 158344047 HFMGRFKNTKMOOT-UHFFFAOYSA-N 286.693 3.801 30 20 CHED N#Cc1ccc(Sc2ccc([N+](=O)[O-])cc2)c(F)c1 36886993 XXTGQTVIBXAJIS-UHFFFAOYSA-N 274.276 3.757 30 20 CHED CSc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1 45027092 VRFXODBSQQGRMA-UHFFFAOYSA-N 283.356 3.924 30 20 CHED C=CCNc1nnc(SCCC(C)(C)C)s1 309523182 CCFBFCZSCWAGOT-UHFFFAOYSA-N 257.428 3.664 30 20 CHED Cc1cccc(CNc2cc(F)cc(C#N)c2)c1C 600861243 MGMPBUPFOWJNQP-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Br)oc1C 424862545 YTZLILOHPJUICB-JTQLQIEISA-N 298.180 3.531 30 20 CHED CCn1ccnc1SCCCCC(C)(C)C#N 689761626 LNXLGMCVUGCLNV-UHFFFAOYSA-N 251.399 3.715 30 20 CHED N#CCC1(CNc2ccc(OCC3CC3)cc2)CC1 690099033 KRRLTLCSVYDBRB-UHFFFAOYSA-N 256.349 3.581 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](C)CC(F)(F)F)n1 396878934 AWPDUYVLOOIMIB-QMMMGPOBSA-N 271.286 3.571 30 20 CHED N#Cc1ccc(CNc2ccc(Br)cc2)cc1 8141152 SSMDBSSSAOHPGI-UHFFFAOYSA-N 287.160 3.933 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2cccc(C#N)c2)o1 19922028 CKTJZUDYOXNFOJ-NHYWBVRUSA-N 252.317 3.887 30 20 CHED CCCCN(CCCC)C(=O)c1cccc(C#N)c1 20304332 QYNPQXREGGPUDC-UHFFFAOYSA-N 258.365 3.601 30 20 CHED N#Cc1ccc(OCCSc2ccccc2F)cc1 34651313 LMVLQBOMPULDHV-UHFFFAOYSA-N 273.332 3.868 30 20 CHED N#Cc1ccc(NCc2nc3ccccc3s2)cc1 37977658 JSWZNLCSCPVPAI-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CCc1sc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)cc1C 41574831 ZYIHVGUZFRLARQ-LBPRGKRZSA-N 299.399 3.516 30 20 CHED CCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 43356629 MVBSOBMQLAJJRB-CSKARUKUSA-N 278.348 3.625 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccnc1 52954715 DCUDHHXXEAMHPJ-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CN(CCOc1ccccc1C#N)[C@H]1CCc2ccccc21 60467014 YIWFMSCDXMQOOG-SFHVURJKSA-N 292.382 3.556 30 20 CHED N#Cc1cc(Sc2ccc(C(F)(F)F)cn2)ccn1 61815492 YAKSAAQZTCBFHF-UHFFFAOYSA-N 281.262 3.518 30 20 CHED C[C@H](CCNc1ccnc(C#N)c1)c1ccccc1 61910865 NAWAIHTXEJPCJX-CYBMUJFWSA-N 251.333 3.559 30 20 CHED C[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 67799909 BIAXKEPUNJKHTH-LBPRGKRZSA-N 298.773 3.632 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@H](C)CC2)c1 68865870 XXRQZTFNVZOFIF-AWEZNQCLSA-N 288.391 3.905 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 69311545 NAYFNVUKGCPFDJ-SECBINFHSA-N 288.174 3.913 30 20 CHED COc1ccc(/C=C2\COc3c(C)ccc(C)c3C2=O)cc1 72031057 AYGUGXXWDIKDNP-XNTDXEJSSA-N 294.350 3.971 30 20 CHED C=CCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 76154177 HGITVTYIEHAZFZ-DLBZAZTESA-N 254.377 3.724 30 20 CHED C=CCCNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 77245319 VMIRYEDBGGLJBA-UHFFFAOYSA-N 298.361 3.995 30 20 CHED CCN(CC#N)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 78090779 FRCWOSXRLSOEPW-LLVKDONJSA-N 298.308 3.571 30 20 CHED CCc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)o1 83982156 PNJYVBBNJQFZNA-FNORWQNLSA-N 258.321 3.516 30 20 CHED C=CCN(CC=C)C(=O)c1cc(Br)ccc1C 87743164 IDGYKWUCBSDGDO-UHFFFAOYSA-N 294.192 3.572 30 20 CHED CCN(Cc1cc(Cl)ccc1Cl)C[C@H](C)C#N 87759870 IYSLIBIYGXSVQA-SNVBAGLBSA-N 271.191 3.975 30 20 CHED N#CC1CCN(Cc2cc(Cl)ccc2Cl)CC1 87759965 ZKHYOJHPYJUWNQ-UHFFFAOYSA-N 269.175 3.729 30 20 CHED C[C@@H]1CCC[C@H](CNc2cccc(OCC#N)c2)C1 89607003 QEOQFEIUEAGNJQ-KGLIPLIRSA-N 258.365 3.827 30 20 CHED C=C(C)COCCN[C@H](C)c1ccccc1OC(F)F 90450868 YAONWULGWJKOHO-GFCCVEGCSA-N 285.334 3.531 30 20 CHED C=CCC[C@H](N[C@H](C)c1cnccn1)c1ccccc1 90580874 LRJVXZYVUZBLDX-ZBFHGGJFSA-N 267.376 3.835 30 20 CHED N#CCCCCNCc1c(Cl)cccc1N1CCCC1 92388975 MWIRIYBILJSULX-UHFFFAOYSA-N 291.826 3.724 30 20 CHED C[C@H]1CCC[C@@H](CNCc2cccc(OCC#N)c2)C1 92565559 GPMKPMDMCXKWNX-LSDHHAIUSA-N 272.392 3.505 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(CC#N)C2CCCC2)o1 93563289 MEXKCHSXTXPGDE-WFASDCNBSA-N 258.365 3.671 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc(F)cc1C#N 97036554 ZDEHMCZKPUQZJC-GFCCVEGCSA-N 297.333 3.889 30 20 CHED C=CCCC(=O)N(CCC)[C@@H]1CCc2ccccc2C1 102240102 PUMQLXPKAUDXSB-QGZVFWFLSA-N 271.404 3.749 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccccc2Cl)c1 103028630 OKGAGUBWGHWVGI-UHFFFAOYSA-N 283.758 3.988 30 20 CHED CCC(CC)CNCc1ccc(N(C)CCC#N)cc1 106479767 ULNPSBSEAKVRKM-UHFFFAOYSA-N 273.424 3.562 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 110678876 ZGFXFPBYVVOQCM-FBIMIBRVSA-N 297.185 3.515 30 20 CHED N#Cc1ccc(OCC(=O)c2cccc(Cl)c2)cc1F 113649754 MVVUKUFXWMOTRE-UHFFFAOYSA-N 289.693 3.612 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 120707042 IPFPLPDPNHCPIO-DHZHZOJOSA-N 282.387 3.922 30 20 CHED C=C[C@H](C)N[C@@H]1CCc2c(F)cc(Br)cc21 122954954 CHENXHSVVXKTCP-ISVAXAHUSA-N 284.172 3.740 30 20 CHED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CCC#N 123235837 QXVMCSZJPQTKBN-JTQLQIEISA-N 256.271 3.612 30 20 CHED CCc1ccc([C@H](C)NCc2ccc(OC)c(C#N)c2)cc1 124952682 WJSYDNNJYNLNNQ-AWEZNQCLSA-N 294.398 3.980 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1CC=CCC1 126366124 IWIWWXZLPKRGLL-CYBMUJFWSA-N 261.390 3.619 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2ccc(CC#N)cc2)c1 131739611 GOHXBJJGMDWHSS-AWEZNQCLSA-N 278.355 3.803 30 20 CHED CC[C@H](C#N)OC(=O)c1cncc(-c2cccc(C)c2)c1 132548339 VZFUPOVUVQLULV-MRXNPFEDSA-N 280.327 3.516 30 20 CHED N#Cc1ccsc1NC(=O)c1ccccc1OCC1CC1 133216104 SMGDKLHSCHHAND-UHFFFAOYSA-N 298.367 3.661 30 20 CHED CCC(=O)Nc1ccc(NCC(C)(C)CCC#N)cc1 135186936 LTXHSNGBEDHQJY-UHFFFAOYSA-N 273.380 3.777 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3ccc(F)c(F)c3)n2c1 151390590 RPYUDRJYKCOPKX-GQCTYLIASA-N 298.292 3.817 30 20 CHED Cc1ccc(N/C(N)=N/Cc2c(C)cccc2C)cc1 153331212 HCLIMIWHFJUECM-UHFFFAOYSA-N 267.376 3.539 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(O)c1 154381331 QMXZVGPCNDUETD-UHFFFAOYSA-N 280.371 3.674 30 20 CHED C#CCCCCNC(=O)N(C)C1CCCCCCC1 155061532 DEGNZTBTSNYDLT-UHFFFAOYSA-N 264.413 3.544 30 20 CHED C[C@H](Cc1ccccc1Cl)C(=O)[C@@H](C#N)c1ccccn1 155104464 XMDIPLWUNPQZHY-OCCSQVGLSA-N 298.773 3.790 30 20 CHED CCc1cccc(CC)c1NC(=O)N[C@@H](CC)CC#N 155528014 OEGKKNKGKAEHIO-AWEZNQCLSA-N 273.380 3.625 30 20 CHED C=CCCCCCN(C)C(=O)CCc1ccsc1 156737165 SXQAVFSGRYFKPR-UHFFFAOYSA-N 265.422 3.886 30 20 CHED N#Cc1ccc(N[C@H]2CCOC3(CCCCC3)C2)c(F)c1 158869627 SELQQFPORKXURJ-AWEZNQCLSA-N 288.366 3.991 30 20 CHED Cc1ccc(CN(C)Cc2ccc(F)cc2C#N)cc1 171373255 CYWADYNDPODZFI-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CCC)c1ccccc1 172055814 YNIINBVURNROMT-HIFRSBDPSA-N 260.381 3.792 30 20 CHED N#CCC1(COC(=O)c2ccc(-c3ccccc3F)o2)CC1 174745976 NIRRQKCPNVRLIT-UHFFFAOYSA-N 299.301 3.936 30 20 CHED CCN(CCCC(C)(C)C#N)CCc1ccccc1 174822030 VPTRIRQRCMYGMR-UHFFFAOYSA-N 258.409 3.881 30 20 CHED C=CCCCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 175656428 WUEBVSZDCJNDFG-GOSISDBHSA-N 271.404 3.923 30 20 CHED Cc1cccc(OCC(=O)O[C@H](C)c2ccc(C#N)cc2)c1 175767755 IWKDNPNLMCTSKF-CQSZACIVSA-N 295.338 3.550 30 20 CHED CC(C)(CCc1ccccc1)NC(=O)c1cc(C#N)cs1 177034771 GONDRMCNZGEBOC-UHFFFAOYSA-N 298.411 3.761 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H]2C[C@H]2C2CC2)c1 177101460 VFVKXKVRFFZBBV-JKSUJKDBSA-N 271.360 3.626 30 20 CHED CC(C)CC(C)(C)CNCc1ccc(C#N)s1 177596817 HGEMZLBJXSQSQU-UHFFFAOYSA-N 250.411 3.782 30 20 CHED C=CCN1CCC(N[C@@H](C)c2cc3ccccc3o2)CC1 177913519 VWHOXAQHVCBFAI-AWEZNQCLSA-N 284.403 3.734 30 20 CHED N#Cc1ccc(CNC2(c3ccccc3F)CC2)c(F)c1 178791283 GNQKQBPKXFGBLI-UHFFFAOYSA-N 284.309 3.615 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(C)ccc1O)c1ccccc1 179606141 DDSFTROCZZNFCH-AWEZNQCLSA-N 281.355 3.999 30 20 CHED CN(C(=O)c1cccc(C#N)c1)c1ccc(F)c(Cl)c1 180202706 AIKIPJOJKJVLJT-UHFFFAOYSA-N 288.709 3.627 30 20 CHED N#CCCCCSc1nc2cc(F)c(F)cc2[nH]1 182849058 JLVPZRKYUFIMLC-UHFFFAOYSA-N 267.304 3.627 30 20 CHED CC(C)(C#N)C(=O)N1CCc2c(-c3ccccc3)cccc21 184390234 GFUTXQGTEPXHNS-UHFFFAOYSA-N 290.366 3.792 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1ccccc1C 185231281 NUSKLYNEYWDPLM-QGZVFWFLSA-N 269.388 3.852 30 20 CHED C[C@H](OCCCN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 185761642 HSKWNKPVFVYGNR-BQFCYCMXSA-N 286.419 3.826 30 20 CHED Cc1ccc(OCCCCN[C@@H]2CCC[C@H](C#N)C2)cc1 185783540 GLPNFRKUZVNNHV-DLBZAZTESA-N 286.419 3.826 30 20 CHED C=C(C)[C@@H](NCCCCC#N)c1ccc(F)c(F)c1 187765886 GQQVIJMUVVZXLI-OAHLLOKOSA-N 264.319 3.865 30 20 CHED N#CCCCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 192107359 VSWHLOZCSSZDCK-HUUCEWRRSA-N 296.773 3.593 30 20 CHED CCc1cc(O)ccc1NC(=O)Nc1ccc(F)cc1C#N 192316548 CYUILGDKPSYZGL-UHFFFAOYSA-N 299.305 3.609 30 20 CHED COc1cc(NC(=O)c2cc(C#N)cs2)ccc1Cl 194895150 KFNGILHSMNASCF-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCC(C#N)CC1 195326866 YEKJSMMQAMORBE-HNNXBMFYSA-N 293.455 3.928 30 20 CHED N#Cc1cc2c(nc1NCCc1ccccc1F)CCCC2 217636197 UPEJKQTXEJRYNK-UHFFFAOYSA-N 295.361 3.626 30 20 CHED C[C@@H]1CCC[C@@H](Nc2c(C#N)nnc3ccccc23)CC1 227539273 LJSJUIWULFIUOT-CHWSQXEVSA-N 280.375 3.882 30 20 CHED N#Cc1ccc(NC(C2CC2)C2CC2)cc1Br 228181211 KMLKOCFHVOPVKO-UHFFFAOYSA-N 291.192 3.921 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCc3ccccc32)cc1 237502468 UYIMNXWRQIFCND-IFXJQAMLSA-N 292.382 3.755 30 20 CHED C[C@H](NCc1ccc(C#N)o1)[C@@H](C)C1CCCCC1 237587639 IFXGBLQXXRKPQU-OLZOCXBDSA-N 260.381 3.846 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NCc1cc(C#N)cs1 237646157 XOUZUDBCSKNZOB-BXUZGUMPSA-N 262.422 3.924 30 20 CHED C=C(C)CN(CC)C(=O)c1cccn1Cc1ccccc1 248206896 BLSSOKVMXIFTQE-UHFFFAOYSA-N 282.387 3.575 30 20 CHED C=C(C)[C@H](N[C@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1 249160926 YVHVAIYHVWJOLG-UVBJJODRSA-N 281.346 3.597 30 20 CHED CC(C)C(=O)Nc1ccc(C/N=C\c2ccccc2O)cc1 255057893 CGHJLRFYRFKDJK-UNOMPAQXSA-N 296.370 3.606 30 20 CHED CC(C)Oc1ccccc1C=NOCc1ccc(C#N)cc1 255063889 QZALVPFTAHYVRO-UHFFFAOYSA-N 294.354 3.896 30 20 CHED CCc1cccc(C)c1NC(=O)c1ccc(C=NOC)cc1 255077557 LZULBLSOOFGZIZ-UHFFFAOYSA-N 296.370 3.790 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3ccc(Cl)nc3)cnc12 255721795 YFRHUOHNZFUKRZ-WAYWQWQTSA-N 297.745 3.587 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 268466126 VJMNITABAHEONB-UMVBOHGHSA-N 270.376 3.562 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(C)ccc1Cl)OCC 270205521 KIDWDTWZYSLVDZ-CQSZACIVSA-N 281.783 3.958 30 20 CHED CCCc1nc(CN[C@H](C)c2ccc(C#N)cc2)cs1 271682464 PTEFBQVYQGBHJP-GFCCVEGCSA-N 285.416 3.818 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(F)cc1Cl 272420412 NKKNUDWLACEIPL-CQSZACIVSA-N 282.746 3.537 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H]2c2ccncc2)c1C#N 273357094 QDLWRRUHLSXGEV-HNNXBMFYSA-N 298.777 3.652 30 20 CHED Cc1ccnc(N[C@@H]2CCOC3(CCCCC3)C2)c1C#N 273396045 VQZWXOOJRHYGCL-CQSZACIVSA-N 285.391 3.556 30 20 CHED C=CCC[C@@H](C)Nc1cccc(-c2nnc(C)n2C)c1 273475396 SRHXGPAZYAVSAW-GFCCVEGCSA-N 270.380 3.557 30 20 CHED C=CCCN(C)Cc1ccccc1OCc1ccccn1 276176026 UFQWBIQITFSJNH-UHFFFAOYSA-N 282.387 3.669 30 20 CHED CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cccc(C#N)c2)n[nH]1 277375032 XHMNEFLTSXKOMR-XQQFMLRXSA-N 297.406 3.602 30 20 CHED CC(C)Oc1cccc([C@@H](C)NC(=O)CC(C)(C)C#N)c1 278197559 FRSRYOTZIZEAKL-CYBMUJFWSA-N 288.391 3.591 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccccc2Cl)no1 278975915 JKZWGFWLBZNQJN-DGCLKSJQSA-N 290.750 3.839 30 20 CHED CC[C@@H](Nc1ccnc(C#N)c1)c1ccc(OC)cc1 285500563 FFCYSEQDEGZGQD-MRXNPFEDSA-N 267.332 3.525 30 20 CHED Cc1csc(NC(=O)C[C@@H]2CCC[C@@H]2C)c1C#N 288924220 VZPQBXWIRIYPBF-ONGXEEELSA-N 262.378 3.693 30 20 CHED Cc1ccc2c(c1)CN(CC(C)(C)CCC#N)CCO2 289866812 VPANMGKDEQFWFR-UHFFFAOYSA-N 272.392 3.519 30 20 CHED C[C@H](C(=O)N[C@@]1(C#N)CC1(C)C)c1ccc2ccccc2c1 291520327 YAVNJIALELNOEM-ORAYPTAESA-N 292.382 3.752 30 20 CHED N#CC1(NC(=O)c2ccc(C3CCCC3)cc2)CCC1 291884889 WHVQSXSBYLHPJZ-UHFFFAOYSA-N 268.360 3.520 30 20 CHED CCC1(CC)CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 294381910 MEVWZICLZMWCAL-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C[C@H]1CC[C@@H](C)C[C@@H]1NCc1ccc(OCC#N)cc1 295236779 SJMZPSCASCVKBR-KEYYUXOJSA-N 272.392 3.503 30 20 CHED CCC[C@@H](Cc1ccccc1)Nc1ncccc1C#N 301144047 FERYMFIFFKGWOR-INIZCTEOSA-N 265.360 3.777 30 20 CHED C[C@H](CNc1ncccc1C#N)c1nc2ccccc2s1 301709361 HGQMKORUPDQWAI-LLVKDONJSA-N 294.383 3.779 30 20 CHED Cc1nc(C)c(CNc2c(C#N)cnc3ccccc23)s1 302666513 MRXFFURVLNWAKQ-UHFFFAOYSA-N 294.383 3.792 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1C 308092621 UPOXVQJLHSVJCG-CQSZACIVSA-N 258.365 3.878 30 20 CHED CSC[C@@H]1CCCN1CCCCC(C)(C)C#N 310044685 LRIQEXKKRMDQSO-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 315878533 ZRCFPPOKTWFOID-QGZVFWFLSA-N 298.430 3.776 30 20 CHED Cc1csc(N=C(O)[C@H]2CCCSC2)c1C#N 329776096 NTNDKIMKUBIULF-VIFPVBQESA-N 266.391 3.659 30 20 CHED OC(C[C@H]1CCOC1)=Nc1nc2c(s1)CCCCCC2 329825184 IASVQDGFHXSLIZ-LLVKDONJSA-N 294.420 3.817 30 20 CHED CSCc1cc(/C(O)=N/[C@@H]2CCC[C@@H]2C#N)ccc1F 331095272 LBVJOPOQYTXHPX-BXUZGUMPSA-N 292.379 3.686 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCCC1 333522351 HETULBCOUJUWEW-GUYCJALGSA-N 274.408 3.545 30 20 CHED N#Cc1ccc(NC(=O)CC2CC(F)(F)C2)cc1Cl 334511124 KHIBKTWJBCCLNC-UHFFFAOYSA-N 284.693 3.586 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCCC2(CC2)C1 334731542 SVJVECGCTSCTRX-UHFFFAOYSA-N 296.414 3.530 30 20 CHED Cc1ccccc1-c1csc(=O)n1CC1(C#N)CCC1 335594321 DRCUAMYDJYPLJO-UHFFFAOYSA-N 284.384 3.579 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc2cccnc2c1 336864256 KJKDXUCBDPXSJO-UHFFFAOYSA-N 291.266 3.807 30 20 CHED CC(C)C[C@@H]1CCCN1CCCC1(C#N)CCOCC1 337144456 WMEWSMCMLGQKLQ-INIZCTEOSA-N 278.440 3.597 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1c1ccccc1 337898163 NKDCXMAKONJFPP-SFHVURJKSA-N 290.366 3.844 30 20 CHED C=C1CCN(Cc2ccc(C)cc2-c2ccnn2C)CC1 338942779 PGHAHPVRQLQTKQ-UHFFFAOYSA-N 281.403 3.548 30 20 CHED CCc1ccc(S(=O)(=O)[C@@H](C)c2ccc(C#N)cc2)cc1 340838334 LTUHVXAMBOZCOF-ZDUSSCGKSA-N 299.395 3.656 30 20 CHED Cc1ccc(C[S@](=O)Cc2ccc(CC#N)cc2)cc1 342254872 MEFQRKUUGSLZDD-FQEVSTJZSA-N 283.396 3.510 30 20 CHED CCOCCC1(CNc2snc(C)c2C#N)CCCC1 342639519 UCBPZMGOWTVNIO-UHFFFAOYSA-N 293.436 3.722 30 20 CHED C[C@H](C1CC1)N(Cc1ccccc1)CC1(C#N)CC1 343261830 TUYRADFOXCBXSH-CQSZACIVSA-N 254.377 3.591 30 20 CHED CC(C)COc1ccc([C@H](C)NCC2(C#N)CC2)cc1 343578097 DCGXEQIPRBWNPF-AWEZNQCLSA-N 272.392 3.676 30 20 CHED COc1cccc2c1CC[C@H]2Nc1ncc(C#N)cc1Cl 347202143 PATAQJSUSQAJBN-CQSZACIVSA-N 299.761 3.715 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(F)ccc1C 349160633 QSNNMQBFKVRDIA-QGZVFWFLSA-N 296.345 3.887 30 20 CHED C=C(CNC(=O)Nc1cscc1C)c1ccccc1 350107965 CQDKKICRUOBNJP-UHFFFAOYSA-N 272.373 3.891 30 20 CHED C[C@@H](F)CCN(CCC(F)(F)F)CC(F)(F)F 352411983 ATNRHDIZLVJYKU-SSDOTTSWSA-N 269.204 3.551 30 20 CHED C=CCCCCCN(C)Cc1cnn(CC(F)(F)F)c1 353882840 RFBDNLJHECTMNW-UHFFFAOYSA-N 289.345 3.624 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H](F)C1 357683597 VWRNYYRGZVKSMH-LLVKDONJSA-N 272.245 3.515 30 20 CHED C[C@@H]1[C@@H](C(=O)Nc2ccccc2SCCC#N)C1(F)F 359365066 WIBIOMREQDECAX-SKDRFNHKSA-N 296.342 3.532 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)CC(F)(F)F)CCC1 359882450 WBOULSUKSKAACT-JTQLQIEISA-N 263.303 3.580 30 20 CHED CC[C@H](NC(=O)CCCC#N)C(C)(C)c1ccccc1 360346741 RBAGSWXFYRWREG-HNNXBMFYSA-N 272.392 3.553 30 20 CHED COc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)c1 361559523 SCEQOYKTKNXAJZ-NSHDSACASA-N 297.314 3.648 30 20 CHED Cc1cc(C(=O)N(CCC#N)CC(C)C)c2ccccc2n1 386762595 GTRFAMNJJXALGP-UHFFFAOYSA-N 295.386 3.555 30 20 CHED C[C@@H]1C[C@H](Nc2cccc(Br)c2C#N)CS1 397843935 HLOBOKDVABYBRG-BDAKNGLRSA-N 297.221 3.627 30 20 CHED C=C(CC)CN[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 400663057 PQQJNWUXVLXPNP-CQSZACIVSA-N 296.455 3.578 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl 410136326 VLPYNZRDKRPVEW-OLZOCXBDSA-N 295.810 3.887 30 20 CHED C=C(C)[C@@H](N[C@H]1COC(C)(C)C1)c1ccc(F)c(F)c1 418016490 WXCYMIVRBYCTPJ-IUODEOHRSA-N 281.346 3.739 30 20 CHED CC(C)CCC[C@H](C)NC(=O)CSCC1(C#N)CCC1 419580125 KOLNWZSPAMVVEP-AWEZNQCLSA-N 296.480 3.744 30 20 CHED CCC[C@@H](C)N(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419636749 KDFNIUXAQFEMMB-CXAGYDPISA-N 299.418 3.766 30 20 CHED C[C@@H](CNCc1ccc(C#N)c(F)c1)Cc1cccs1 421352863 DRKOZJCAAPGJOE-GFCCVEGCSA-N 288.391 3.727 30 20 CHED CC[C@H](C)CNCc1ccc(C#N)cc1C(F)(F)F 421369915 CTRPUKAXYYLEES-JTQLQIEISA-N 270.298 3.713 30 20 CHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F 424134609 YJYQBQISNVVWAL-JVLSTEMRSA-N 264.319 3.698 30 20 CHED C=CCCCCCN(C)C(=O)c1coc(=O)c2ccccc12 424685567 OWFBRLLNMKOJSE-UHFFFAOYSA-N 299.370 3.611 30 20 CHED Cc1cc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc(C)c1Cl 425672227 JWEQFUBBVRLUBH-NWDGAFQWSA-N 291.782 3.771 30 20 CHED C=CCC(C)(C)c1nc(-c2ccnc(OC3CCC3)c2)no1 426409425 GZZNRHDGJLNSIH-UHFFFAOYSA-N 299.374 3.917 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1ccc(C)cc1)C1CCC1 427521571 KWCVYGNSYFNUQP-CRAIPNDOSA-N 273.420 3.610 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)c1ccc(OC)cc1 433240557 OXKRHDDMFAUDPI-UHFFFAOYSA-N 289.419 3.691 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1 436771293 ZHWOAHBVEMRTRO-UHFFFAOYSA-N 294.310 3.674 30 20 CHED C=CCC[C@@H](NC[C@H](C)Oc1ccc(OC)cc1)C1CC1 438989864 GEEGBKARZHDXME-KBXCAEBGSA-N 289.419 3.797 30 20 CHED Cc1cccc(C(C)(C)CN[C@@H]2CC[C@@H](C#N)C2)c1 442783762 RYBMBOJBBZVLQP-GDBMZVCRSA-N 256.393 3.555 30 20 CHED COc1ccc(CNc2ccc3ccoc3c2)cc1C#N 442874988 SBMSYNLBCVMZDC-UHFFFAOYSA-N 278.311 3.925 30 20 CHED Cc1ccc([C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccn2)cc1 442878154 SMUUPAMMPWNWLI-AYBZRNKSSA-N 291.398 3.761 30 20 CHED CN(Cc1cc(F)cc(F)c1)Cc1cccc(C#N)c1F 444709720 QWXZZFIEUGIPIR-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CC1(C)CCCN(CC#Cc2cccc(Cl)c2)[C@@H]1C#N 444723379 KQFNIWRPHOAWLF-MRXNPFEDSA-N 286.806 3.706 30 20 CHED CC(C)=CCSCC(=O)N(CCC#N)c1ccccc1 446112555 PYZGFTRKRZVPDH-UHFFFAOYSA-N 288.416 3.633 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 448685414 XRXUWDIBIBXNAF-YESZJQIVSA-N 269.388 3.637 30 20 CHED CCCCC1CCC(NC(=O)c2cc(C#N)[nH]c2C)CC1 448793078 KMOFRYRDZJRVAX-UHFFFAOYSA-N 287.407 3.674 30 20 CHED CCCn1ccc2cc(NC(=O)[C@]3(C#N)C[C@H]3C)ccc21 448840336 KBMDKDZFWOFFNZ-PXAZEXFGSA-N 281.359 3.540 30 20 CHED CCN(CC)[C@H](CNC1CCC(C)(C#N)CC1)CC(C)C 449074972 LXQSRNFFCNSHDB-ADKAHSJRSA-N 293.499 3.805 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1CCO[C@@H]1c1cccnc1 449309387 AHAOXUSMRJREMM-HYVNUMGLSA-N 274.408 3.636 30 20 CHED C=CC(C)(C)CNC1CCC2(CCOCC2)CC1 449487687 ZZVWXMGKBOHEFY-UHFFFAOYSA-N 251.414 3.528 30 20 CHED COc1cccc([C@H]2C[C@H](NCc3cccc(C#N)c3)C2)c1 449615342 LGQMMYVZGJYRIC-IYARVYRRSA-N 292.382 3.603 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)NCC1CCC(C(C)(C)C)CC1 450147280 MZTQOAXHQKIWHS-VWLISTAJSA-N 276.424 3.505 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1cccc(Cl)c1C#N 450301433 FYZSIJHSFCPVFZ-MNOVXSKESA-N 264.756 3.581 30 20 CHED COC(=O)C1(CSc2ccc(C#N)cc2F)CCCC1 450844445 HMECLYCBCOQYSJ-UHFFFAOYSA-N 293.363 3.523 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@H]1CCc2ccccc21 452309855 DXBBBVPVONHWMC-CRAIPNDOSA-N 271.404 3.825 30 20 CHED C=CCCCC(=O)NCC[C@@H]1CCc2ccccc21 452322465 ZKDZUWZGRNMKBI-HNNXBMFYSA-N 257.377 3.579 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1ccc(CC#N)cc1Cl 452648152 RMTYPGWSDQFDNI-SNVBAGLBSA-N 264.756 3.637 30 20 CHED C=CCCc1noc(C(C)(C)Cc2ccc(C#N)cc2)n1 453224679 UPIBIQPVEFQZBW-UHFFFAOYSA-N 281.359 3.580 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2c(s1)CCCC2 453337948 ARGGGNAFWROWGK-YUTCNCBUSA-N 277.433 3.621 30 20 CHED CC[C@@H](N[C@H](C)c1nccn1CC)c1ccc(C#N)cc1 453353221 NNOJQVUSCQBYNM-CZUORRHYSA-N 282.391 3.577 30 20 CHED CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)c(F)c1 453376464 IHOJBAMICIUHSM-FZKQIMNGSA-N 298.361 3.563 30 20 CHED CC(C)[C@H](C)N(C)C(=O)Nc1ccc(CC#N)cc1Cl 455744270 DYHYVVZCECOJQN-NSHDSACASA-N 293.798 3.914 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)c1ccc(CC#N)cc1 456319555 GBLCYDUXKDOIAG-IRXDYDNUSA-N 284.403 3.505 30 20 CHED C=CCC1(C(=O)NCCc2ccc(C)cn2)CCCCC1 457182739 PJWAQMPPDGCAMD-UHFFFAOYSA-N 286.419 3.575 30 20 CHED C[C@H](CCCc1cccnc1)NCc1cc(C#N)cs1 459658799 YUZIQMAPKJZIOQ-CYBMUJFWSA-N 285.416 3.516 30 20 CHED C=C(C)Cn1c(CC2CCCC2)nnc1N(C)C1CCC1 460955797 IWNKMOPJAHMABE-UHFFFAOYSA-N 288.439 3.576 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)[C@H](C)c2cccc(C#N)c2)C1 461896049 VULOZILIRPOUHM-CKEIUWERSA-N 284.403 3.699 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC[C@@H]2CC)c1 465154270 AAVASENWYMBULO-BBRMVZONSA-N 288.391 3.952 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)CSc1ccccc1 466527793 FJRDEZBWNHTOFE-KGLIPLIRSA-N 277.433 3.886 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)CCC1CCCCC1 467011224 UJBGNSCELWLKRO-CQSZACIVSA-N 266.429 3.953 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2ccccc2n1CC 467846182 KVOZIZLEJHVREU-MRXNPFEDSA-N 271.364 3.597 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 474583144 UMPVIOWPOIORHV-NEPJUHHUSA-N 289.341 3.970 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccc(C#N)cc21 476450263 ALPZRZMNOXUQIQ-GDBMZVCRSA-N 282.387 3.664 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)CC1 476588895 QJPUAYPEMDCQCQ-JKSUJKDBSA-N 293.451 3.833 30 20 CHED C=CC[C@@H](C)NC(=O)c1csc2cc(C)ccc12 480041585 HLZKYOJQQBUJRT-LLVKDONJSA-N 259.374 3.904 30 20 CHED N#Cc1cc(Cl)ccc1CN1C[C@H]2CCCC[C@H]2C1 480578392 KGBLLSMPMJIOKB-BETUJISGSA-N 274.795 3.834 30 20 CHED C=C(C)CN1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 483466841 BNPXZLJZFUBEBG-RBUKOAKNSA-N 284.447 3.549 30 20 CHED C=CCCCCCN1CCO[C@@H](c2ccccc2F)C1 487874061 QGWFSTJAIVFJHH-QGZVFWFLSA-N 277.383 3.945 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)Cc3ccoc3)c2c1 488071290 RQENACVTWFSSHY-UHFFFAOYSA-N 277.327 3.644 30 20 CHED N#Cc1cc(Cl)ccc1NCC[C@@]1(O)C[C@H]2CC[C@H]1C2 488520964 WYYOOKZFWLQKFT-DETPVDSQSA-N 290.794 3.565 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1cccc(C)c1C 490301521 QCJXGHQLQYVAKB-INIZCTEOSA-N 274.408 3.800 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1F 503477600 DFIVVQJVYNGYNG-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCN(CCOc1cccc(C(C)(C)C)c1)C[C@H](C)C#N 504120588 DQVNGXQHBWMBJV-OAHLLOKOSA-N 288.435 3.844 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)o1 506995092 PMFGTGJTMUIRPW-HUUCEWRRSA-N 294.354 3.607 30 20 CHED C=C(C)CCN(C)[C@@H]1CCCN(c2ccccc2)C1 509657610 KWVQYSOGMKHTMS-QGZVFWFLSA-N 258.409 3.553 30 20 CHED CCCN(CC#N)Cc1ccc(OCCC(C)C)cc1 511471238 IXGXDTAIRKUIGH-UHFFFAOYSA-N 274.408 3.847 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1ccc(C#N)cc1 512118718 OPLKOMOFNKAHOH-PBHICJAKSA-N 299.418 3.574 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)NCC(C)(C)C#N 512792503 LCLBTFAFTMBTEU-AWEZNQCLSA-N 287.407 3.546 30 20 CHED C=CCCC(=O)N[C@H](c1nc2ccccc2[nH]1)[C@H](C)CC 522577701 XEKAGOHDTCSSSJ-WBMJQRKESA-N 285.391 3.733 30 20 CHED N#Cc1cccc(NCCc2c(Cl)cccc2Cl)n1 522933868 CBDGTKLJUWAPNT-UHFFFAOYSA-N 292.169 3.915 30 20 CHED Cc1ccc(CCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(C)c1 524195101 SQYHKCBKEYJNLI-BEFAXECRSA-N 298.430 3.825 30 20 CHED CCC(C#N)(CC)c1nc(COc2ccccc2C)no1 528144136 ZKBWGBNCIGNLSG-UHFFFAOYSA-N 285.347 3.538 30 20 CHED CCC(C#N)(CC)C(=O)NC1CCC(C(C)C)CC1 528838913 HKZHOYJUEARPMM-UHFFFAOYSA-N 264.413 3.647 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCC[C@@H]1CC(C)C)OCC 535148630 YJGSGSLUGUQHBT-CVEARBPZSA-N 281.440 3.785 30 20 CHED C=CCOc1ccc(CN2CCO[C@@H](C)[C@@H]2C)cc1Cl 538726142 YROVLCZATZNSOJ-STQMWFEESA-N 295.810 3.514 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2F)CC(C)(C)C1 544117969 SUFNWYPLRAIVDQ-LBPRGKRZSA-N 260.356 3.565 30 20 CHED C=C[C@H](Cc1nc(Cc2cscn2)no1)c1ccccc1 544986873 FPAPLSXYUOYSEY-GFCCVEGCSA-N 297.383 3.629 30 20 CHED CC[C@H](C(=O)N[C@@](C)(C#N)CC)C1CCC(C)CC1 545183000 ZPQJYFVMJIWLIH-VKJZCYHPSA-N 264.413 3.647 30 20 CHED CC[C@H]1CN(CCC(C)(C)C#N)CCN1Cc1ccccc1 545395530 MBAGWPLBNVWOCL-SFHVURJKSA-N 299.462 3.523 30 20 CHED C[C@H](CCC1CC1)NC(=O)c1ccc(Cl)c(C#N)c1 546717575 AODBHCGFMFFBEB-SNVBAGLBSA-N 276.767 3.520 30 20 CHED C=CCC(C)(C)C(=O)N(C)C[C@@H](C)c1ccccc1 550548446 VHUDCYDYFFKKDJ-CQSZACIVSA-N 259.393 3.851 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc(OC3CCCC3)cc2)C1 556605710 FQAVAFOXXFFEQH-CVEARBPZSA-N 284.403 3.790 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1cc(C#N)ccc1NC 574387000 KXAIIOKHBZLNFZ-MRXNPFEDSA-N 273.380 3.755 30 20 CHED CC[C@](C)(C#N)c1nc([C@H]2CCCC(C)(C)C2)no1 576384417 ITGNBHRSJSVDKE-XHDPSFHLSA-N 261.369 3.945 30 20 CHED COCC1(CNc2cccc(F)c2C#N)CCCCC1 576873970 XKEOJVZOIVSZGA-UHFFFAOYSA-N 276.355 3.706 30 20 CHED C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C1CC1 578020719 VEBSQKVCRMZHCI-UHFFFAOYSA-N 288.782 3.556 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2scc(C)c2C#N)cc1 580812116 JNRZAXDPGQWWMV-UHFFFAOYSA-N 299.399 3.901 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC12CCCCC2 584247700 FPGIAUSCOWXRIE-ZDUSSCGKSA-N 283.375 3.509 30 20 CHED Cc1ccc(C(C)(C)CNC[C@H](C#N)CCC#N)c(C)c1 584446335 QPQPXARCRXZLHD-INIZCTEOSA-N 283.419 3.614 30 20 CHED COc1ccc2c(c1)CC[C@H](NC1CCC(C)(C#N)CC1)C2 590647668 JODOORXIOVEJSK-HFCFLWKCSA-N 298.430 3.615 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1C#N 590996789 HLROXXUZBGUPNA-BDAKNGLRSA-N 262.378 3.512 30 20 CHED N#Cc1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1 592442936 YJYZOQRVFUSNHS-HNNXBMFYSA-N 279.339 3.641 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(CC#N)c1ccc(Cl)cc1 592652426 MIFRUEGWZDMZPD-BXUZGUMPSA-N 276.767 3.633 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCC(C)(C)C1 594013796 BLMSYJLJSHUPDL-WMLDXEAASA-N 298.430 3.774 30 20 CHED Cc1c(C(=O)NC2(C)CC=CC2)sc2ccc(C#N)cc12 594072898 OYYHCRVLRNAPNV-UHFFFAOYSA-N 296.395 3.920 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccc(-c2ccc(C)o2)s1 594086260 QZVIYDSXPXGDSG-NSHDSACASA-N 288.372 3.691 30 20 CHED N#Cc1ccc(-c2ccc(C3(C(=O)O)CCC3)cc2)s1 594874050 MZCWYNHLVOEGQX-UHFFFAOYSA-N 283.352 3.793 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)NCCc1ccc(C#N)cc1 594956297 WQZVOSRKMKUGGB-CQSZACIVSA-N 298.817 3.975 30 20 CHED Cc1cc(C)cc(CNCc2ccc(C#N)c(C)c2)c1 594973992 QNTYZJIWRNCZCN-UHFFFAOYSA-N 264.372 3.773 30 20 CHED C[C@@H](CCNC(=O)N1CCC[C@@H](CC#N)C1)CC(C)(C)C 595592422 ZRVJFGONTIXQGX-GJZGRUSLSA-N 293.455 3.784 30 20 CHED CC(C)COc1ccccc1CN1CCC[C@H](CC#N)C1 595615319 PVBKWBXMFITGDO-MRXNPFEDSA-N 286.419 3.847 30 20 CHED Cc1ccc(-c2cc(CN(C3CC3)[C@@H](C)C#N)on2)cc1 595714560 VTGRSUWCLSJYQM-ZDUSSCGKSA-N 281.359 3.527 30 20 CHED N#CC1(CC(=O)Nc2ccc(F)cc2F)CCCCC1 596626788 RZHFZQSINRVUQF-UHFFFAOYSA-N 278.302 3.767 30 20 CHED CN(C(=O)C1[C@H]2CCCCCC[C@H]12)c1cccc(C#N)c1 596930092 GRIVZGJXNYSSDE-HOTGVXAUSA-N 282.387 3.737 30 20 CHED CC[C@@]1(C)CCCN(C(=O)CC2(C#N)CCCCC2)C1 597310732 RQJVNUPMPDXWCQ-INIZCTEOSA-N 276.424 3.889 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](CC#N)C1 597910064 VAZKNBNFEZWGIW-CVEARBPZSA-N 284.403 3.641 30 20 CHED N#Cc1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)s1 598152089 DDDYZABKJFVBNA-ZDUSSCGKSA-N 288.416 3.662 30 20 CHED N#C[C@H]1CCCC[C@H]1NCCc1cccc(C(F)(F)F)c1 600180635 MNTLUMVHTUPBGM-UKRRQHHQSA-N 296.336 3.920 30 20 CHED Cc1cc([C@H]2CCCN2)ccc1-c1cccc(C#N)c1 600777494 QHOHDCQAQAABHJ-GOSISDBHSA-N 262.356 3.958 30 20 CHED C[C@H](CCC#N)CNc1cccc(C(=O)N2CCCCC2)c1 602489819 AGPXWNGJYHEXBQ-OAHLLOKOSA-N 299.418 3.664 30 20 CHED Cc1c(Cl)cncc1N[C@H](C)CC1(C#N)CCOCC1 602670411 FLLUVQDOKCABEE-LLVKDONJSA-N 293.798 3.554 30 20 CHED N#CCC1(CN(CCc2ccc(F)cc2)C2CC2)CC1 602783832 RWEPSVSXZVTPIG-UHFFFAOYSA-N 272.367 3.526 30 20 CHED C=CCCCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 605150368 OMEZSBOIPABARN-OAHLLOKOSA-N 283.774 3.819 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)c(C#N)c2)C1(C)C 610207711 CPIDLXQTJYAYSB-CVEARBPZSA-N 293.370 3.607 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 610357689 RJLMSNNYBHOUML-RBSFLKMASA-N 299.418 3.839 30 20 CHED CCCN(C(=O)c1cc2ccccc2n1CC#N)C(C)(C)C 610664843 ZMQLDRXAILEHMH-UHFFFAOYSA-N 297.402 3.816 30 20 CHED CN(CCOC(C)(C)C)Cc1ccccc1C(C)(C)C#N 610859911 UXCGASJKVPMAII-UHFFFAOYSA-N 288.435 3.735 30 20 CHED Cc1ncc([C@H](C)NC2(c3cccc(C#N)c3)CC2)s1 611476013 XNAORWYZWORZFB-NSHDSACASA-N 283.400 3.663 30 20 CHED N#CCSCCCN1CCC[C@H]1/C=C\c1ccccc1 611554817 ZGGFJJPCPJHSSF-IBSYWUHOSA-N 286.444 3.811 30 20 CHED CC1(CNC(=O)N2CCC[C@@](C)(C#N)C2)CCCCCC1 612151280 MXWUUWTYZWGJIM-KRWDZBQOSA-N 291.439 3.682 30 20 CHED CC[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccc(C)cc1 612357701 MRTBRAYXDDYJDX-SJLPKXTDSA-N 299.418 3.781 30 20 CHED Cc1cc(C)c(N[C@H](C)c2ccc(C#N)cc2)cc1CO 615704903 AEDULLBCOCLJON-CQSZACIVSA-N 280.371 3.841 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2cnccc2c1 618741864 NIGXSRKFKOKFEK-FQEVSTJZSA-N 299.377 3.884 30 20 CHED Cc1ccnc(NCc2ccc(C#N)c(Cl)c2)c1 619747280 REFQWQSRWGBPNX-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=CCN(Cc1ccccc1)Cc1cncc(OCC)c1 621711938 MXECIQXXINJPGP-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(OC)c1C 626748579 NUKOGBDMEYIMLS-ZDUSSCGKSA-N 274.364 3.576 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc1 641993263 HRANNBHTCCVRCY-CYBMUJFWSA-N 275.392 3.758 30 20 CHED C=CCC[C@H](C(=O)N(CC)c1cnn(C)c1)c1ccccc1 655333384 NIDXHWNJUFTMQI-KRWDZBQOSA-N 297.402 3.523 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCc1nc(C)cs1 657836217 SZCDXKDXWJOSMF-KGLIPLIRSA-N 264.438 3.719 30 20 CHED Cc1cc([C@H](C#N)C(=O)c2cccc(C(C)C)c2)nc(C)n1 659024747 IYHFROBQCLSLLU-INIZCTEOSA-N 293.370 3.707 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCO[C@@H](CC)C1 666238494 AUZFMPFDQFREHJ-SQNIBIBYSA-N 273.420 3.721 30 20 CHED CC(=O)c1ccc(NC(=O)CCCCCC#N)cc1C 672462470 PFJSOURTNHZXOI-UHFFFAOYSA-N 272.348 3.610 30 20 CHED C=C(CNC(=O)[C@H](C)C(CC)CC)c1ccccc1 672480025 ANMFRKQAGFVFFF-CQSZACIVSA-N 259.393 3.888 30 20 CHED C=CCN(CCCOC(C)(C)C)Cc1ccc(OC)cc1 674904434 VGVNQIJPPUHKAN-UHFFFAOYSA-N 291.435 3.888 30 20 CHED C=C(C)CN(C)Cc1ccc(OC)c(O[C@@H](C)CC)c1 679360281 OPRHMVMZRDKQFY-AWEZNQCLSA-N 277.408 3.880 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)co1 682001936 DURBJZUGIAOFBP-CQSZACIVSA-N 276.295 3.626 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1c2ccccc2CC[C@H]1C 684774197 SYLZCFBSLGVJLU-OPNNQBFTSA-N 285.431 3.881 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC(C)C)cc1C 692946732 QYEBWLLJNJSBCF-UHFFFAOYSA-N 273.376 3.914 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(OCC#N)cc1 696059477 CGLKXDRNOHOCER-CQSZACIVSA-N 290.432 3.549 30 20 CHED C=CCCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 726504329 VZBMFPRJKUQDPV-UHFFFAOYSA-N 264.344 3.575 30 20 CHED Cc1oc(C)c(C(=O)OCc2ccc(F)cc2C#N)c1C 728619592 PCVOFBJFOVOAQG-UHFFFAOYSA-N 287.290 3.573 30 20 CHED N#CCCN(CC1CC1)C(=S)Nc1ccc(Cl)cc1 728790748 XETXWJDXSGMHHZ-UHFFFAOYSA-N 293.823 3.662 30 20 CHED C=CCCOC(=O)[C@@H](OC1CCCC1)c1ccccc1 729074145 DMVXHFLDFYHFPF-INIZCTEOSA-N 274.360 3.806 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2cccc(F)c2F)s1 730730334 XKSCMABAZUJQNY-PLNGDYQASA-N 294.278 3.621 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)c1C 731157362 WBRSJDGIDYGPRE-ZHACJKMWSA-N 294.350 3.827 30 20 CHED C(=NOCc1ccccc1)c1ccnc2ccccc12 731313785 LACGIMVBAVXPFT-UHFFFAOYSA-N 262.312 3.786 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCc3cc(F)ccc32)o1 734296718 XMMNLVYZNSMFHG-UHFFFAOYSA-N 298.321 3.571 30 20 CHED C=CCCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1C 735524189 JBBPTIVMHFERIC-LBPRGKRZSA-N 282.767 3.925 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1nc2c(s1)CCCC2 736355183 GWPGMLYHXSFTEC-GFCCVEGCSA-N 297.427 3.744 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 737037014 DZUIKARDFAULOW-ZDUSSCGKSA-N 294.826 3.795 30 20 CHED COc1ccccc1/C=C1\COc2ccc(C)c(C)c2C1=O 737443579 KMFOKIAGNPVGDR-XNTDXEJSSA-N 294.350 3.971 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CC1(Cl)Cl 740034341 CNBWBZYDOALMIS-NSHDSACASA-N 293.238 3.568 30 20 CHED CCCCCCCN1CCCC[C@H]1c1noc(C)n1 740875307 RUUGGWNZFDIGFW-AWEZNQCLSA-N 265.401 3.875 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H](CC)Cc1ccc(C)cc1 741882364 QELKQVJMWVVQCA-INIZCTEOSA-N 290.476 3.699 30 20 CHED C=C(C)CCOC(=O)CCc1cccc(Br)c1 744304716 ZAQPKPDVRWNLLL-UHFFFAOYSA-N 297.192 3.891 30 20 CHED Fc1ccc(/C=C\C=NNc2nc3ccccc3[nH]2)cc1 747741934 ZZUCUACAFQWQEU-SRYOLRMTSA-N 280.306 3.813 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C#N)s2)ccc1O 748997938 LXPRTDOTOGTYLJ-FNORWQNLSA-N 269.325 3.530 30 20 CHED CCc1ccc(CCOC(=O)c2ccc(C#N)s2)cc1 750393731 AILBFPOJPQXSAI-UHFFFAOYSA-N 285.368 3.582 30 20 CHED CCCCCCCCC(=O)N1CCC(c2ncc[nH]2)CC1 751411485 LWNMJZZYAXCJLB-UHFFFAOYSA-N 291.439 3.866 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccc(F)c(C)c2)cc1 751505648 QZNAEXHWGVELIL-HNNXBMFYSA-N 297.373 3.997 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1c(F)cccc1Cl 752015712 POMVAWVAIJEZMP-MRVPVSSYSA-N 291.153 3.592 30 20 CHED C#C[C@H](CC)NC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 753259089 OCSCTWBFAMZPEY-LSDHHAIUSA-N 290.407 3.873 30 20 CHED C#CCCCOC(=O)/C=C(/C)c1ccccc1OC(F)F 753400464 NYZJRMDQWPPCRN-QXMHVHEDSA-N 294.297 3.648 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccccc1C#N)C2=O 755590937 QRSMTZQVLOQGQE-SXGWCWSVSA-N 259.308 3.689 30 20 CHED N#Cc1cc(/C=C2/Cc3ccccc3C2=O)ccc1F 756267754 OOVJYXFNVQUAMV-QPEQYQDCSA-N 263.271 3.520 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1cc(F)cc(F)c1O 757475065 GMNHCVQKYOBUGU-DUXPYHPUSA-N 296.219 3.845 30 20 CHED C#CCCCC(=O)Nc1cccc(O[C@@H](C)CC)c1 757870655 HEUDWMWMTCXISH-ZDUSSCGKSA-N 259.349 3.606 30 20 CHED C=CCn1c(SCOCC)nnc1-c1cccc(C)c1 758355658 DIOJLHASDAFDNV-UHFFFAOYSA-N 289.404 3.526 30 20 CHED CC(CC1CCOCC1)=NNc1cc(C)ccc1F 759665856 REACGRRTNPUPLV-UHFFFAOYSA-N 264.344 3.739 30 20 CHED CCCCCCCCc1nc(CC2CCOCC2)no1 761990079 QSTNTYBPQOOTKC-UHFFFAOYSA-N 280.412 3.942 30 20 CHED O=C1/C(=C\c2cccc3c2OCO3)Cc2ccc(Cl)cc21 762447639 RJGAFBXHJRNFGW-GHXNOFRVSA-N 298.725 3.891 30 20 CHED C#CCN(C(=O)NCCCc1ccc(C(C)C)cc1)C1CC1 764725215 LAJACDHHGSXVTQ-UHFFFAOYSA-N 298.430 3.550 30 20 CHED Fc1ccccc1-c1ccc(C=NOCC(F)(F)F)o1 764838369 CNSZNROOYFUAMF-UHFFFAOYSA-N 287.212 3.999 30 20 CHED CC(=NOCC(F)(F)F)c1cc(C)ccc1OC(F)F 764845832 ZPSWTLWQZDYVKJ-UHFFFAOYSA-N 297.223 3.899 30 20 CHED C#Cc1cccc(NC(=O)/C=C\c2ccc3[nH]ccc3c2)c1 765573717 PVCRNLGWSCKPCQ-CLFYSBASSA-N 286.334 3.801 30 20 CHED CCc1cnccc1C(C)=NNc1cc(F)c(F)cc1F 765574714 BNGNQXYLQLBVLV-UHFFFAOYSA-N 293.292 3.897 30 20 CHED COc1ccc(NN=Cc2ncccc2C(F)(F)F)cc1 765583913 INLQCLKQDWWZJW-UHFFFAOYSA-N 295.264 3.555 30 20 CHED C=CCC[C@H](CC)NC[C@@](C)(O)c1ccccc1Cl 765674462 CERSGUXXMWVDMN-XJKSGUPXSA-N 281.827 3.882 30 20 CHED FC(F)(F)C1CCC(=NN[C@H]2C[C@H]3CC[C@H]2C3)CC1 766027720 XJMDALTWXGPUHZ-GWENJTCBSA-N 274.330 3.873 30 20 CHED C[C@H](c1cccs1)S(=O)(=O)CCCCC(C)(C)C#N 766343627 LVDYJUNPATWNDO-GFCCVEGCSA-N 299.461 3.944 30 20 CHED Cc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)ccc1C#N 766490211 HMZXQARXNABITE-FNORWQNLSA-N 279.343 3.540 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(F)ccc2O)ccc1C#N 766492099 UZYGWXBTACVXKN-ZZXKWVIFSA-N 281.286 3.608 30 20 CHED CCCCCCCCNC(=O)c1cc(C)sn1 766841206 AVKAPLBKMITUDH-UHFFFAOYSA-N 254.399 3.542 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 767290281 HUDPORDWSDALAQ-UHFFFAOYSA-N 297.402 3.848 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCCc2sccc21 767335873 BPDFJXFARSCMLQ-BVTUPMQUSA-N 257.358 3.950 30 20 CHED Cc1cc(C(=O)OCCCCC(C)(C)C#N)c(C)n1C 768370617 WPZUORQTKZCVIA-UHFFFAOYSA-N 276.380 3.519 30 20 CHED Cc1cc(C=NNc2cc(C#N)cc(Cl)n2)c(C)s1 768380677 CNQXTSGEVSAFLQ-UHFFFAOYSA-N 290.779 3.731 30 20 CHED CCCC(=CC(=O)Nc1cc(C#N)ccc1O)CCC 770863511 RCJAECUXOLMDKU-UHFFFAOYSA-N 272.348 3.729 30 20 CHED O=Cc1ccc(OCC#Cc2cccc(Cl)c2)cc1 772828479 UFPCGJVSBNIHNW-UHFFFAOYSA-N 270.715 3.583 30 20 CHED C#CCCCCC(=O)Nc1nnc(C2CCCCC2)s1 773278944 MCUSAANOTYMVFL-UHFFFAOYSA-N 291.420 3.718 30 20 CHED C=C(CC)COC(=O)/C=C/c1cnc(C(C)(C)C)s1 773519235 IIQKRPQFXATVNP-BQYQJAHWSA-N 279.405 3.963 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2cc(C)cc(C)c2)c1 774138726 MXZZZEVIWZYETN-SNAWJCMRSA-N 284.311 3.579 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1cccc(C)c1 776190707 YBHWVPRBKBMYGV-KHPPLWFESA-N 282.339 3.908 30 20 CHED COc1cc(C)sc1C(=O)O[C@H](C#N)C1CCCCC1 776385047 JONCRLRNNDLLSH-CYBMUJFWSA-N 293.388 3.694 30 20 CHED COC1CCC(CC(=O)O[C@@H](C#N)C2CCCCC2)CC1 776397753 URHKQNYYXIHCKM-BCLQGDPASA-N 293.407 3.597 30 20 CHED Cc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])c(Cl)n1 777788284 TZJZVRSOXAXVTC-UHFFFAOYSA-N 289.678 3.616 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc(C(=O)O)s1 777915373 LCPOIZDMJQPBGM-HYXAFXHYSA-N 290.315 3.790 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1F 777919054 FQQVMXXQYAYKHR-HYXAFXHYSA-N 275.235 3.531 30 20 CHED C=C(C)CN(C)C(=O)/C=C\c1ccc2cc(OC)ccc2c1 778120800 DJEKWUAYVSYOGW-POHAHGRESA-N 295.382 3.896 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1C 779276098 TXCJFESXRLTZOE-RULNRJAQSA-N 293.313 3.818 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCSc2ccccc21 779746301 YLONCUWCYDOKMY-HNNXBMFYSA-N 287.428 3.923 30 20 CHED CCC(=NNc1ccc2[nH]ncc2c1)c1ccccc1 779815852 FKAYMLXCZQVXOK-UHFFFAOYSA-N 264.332 3.789 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1SCC 779929241 LIBMADSSMVRKDY-HUUCEWRRSA-N 281.465 3.751 30 20 CHED C[C@@H]1CCC(=NNc2ccnc(F)c2)c2ccccc21 781133377 DVODAJWTUFOOGZ-LLVKDONJSA-N 269.323 3.934 30 20 CHED C=C(CC)COC(=O)C1(Cc2ccc(F)cc2)CC1 782468577 TWWYPWMXUZZIIZ-UHFFFAOYSA-N 262.324 3.658 30 20 CHED Cc1ccccc1C(=N)NOCc1ccc(C#N)cc1Cl 783984946 TZZNRLUAIXFISL-UHFFFAOYSA-N 299.761 3.567 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(Cl)nc(Cl)c2)C1 784452701 CESUZXIFTFQFQH-CYBMUJFWSA-N 284.190 3.514 30 20 CHED C=CCCCCCOC(=O)c1ccnc(C2CC2)c1 784660682 PFHMSSVOLHZOLI-UHFFFAOYSA-N 259.349 3.862 30 20 CHED CC1(C)C(=NOC[C@@H]2CCOC2)C[C@H]1c1ccccc1 788030067 KFWLUAIAQRQSNF-HIFRSBDPSA-N 273.376 3.609 30 20 CHED C#CCC1(C(=O)N(C)Cc2ccccc2F)CCCCC1 788129272 DJVBGWAAKMZWCL-UHFFFAOYSA-N 287.378 3.758 30 20 CHED C#CCSc1ccc(COC(=O)C2CC(F)(F)C2)cc1 788418231 QLHJIFWYTHZOKK-UHFFFAOYSA-N 296.338 3.500 30 20 CHED COc1ncc(C(=O)/C=C\c2ccc(C)cc2)cc1Cl 789156952 UCZMYGNTZJRETP-FPLPWBNLSA-N 287.746 3.948 30 20 CHED COc1ccc(CNN=Cc2ccsc2Cl)cc1 790156495 BJVIGCMANDILIU-UHFFFAOYSA-N 280.780 3.534 30 20 CHED Cc1cccnc1NN=C1CCSc2c(F)cccc21 790188431 YWHXGCDXODXHHW-UHFFFAOYSA-N 287.363 3.841 30 20 CHED CCO[C@@H]1CC(=NNc2ncccc2C)C12CCCCC2 790191048 PWLMHMWKYASQBB-OAHLLOKOSA-N 287.407 3.917 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC)[C@@H](CC)c1ccccc1 791063625 BQQMEKYXXSWGKN-SJORKVTESA-N 286.419 3.971 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2ccnc(O)c2)cc1C 791433178 QXMHKTJSZZHDPX-SNAWJCMRSA-N 267.328 3.609 30 20 CHED O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccnc(O)c1 791434248 WOJJTCJKKREPRK-PLNGDYQASA-N 293.244 3.702 30 20 CHED CC(C)O[C@@H](C=NOCc1cccnc1)c1ccccc1 793035004 UABVVMIBPJNZSI-KRWDZBQOSA-N 284.359 3.750 30 20 CHED Cc1nc2scc(C)n2c1C=NNCC1(C)CCCC1 793083637 CCRCIPMWPBGRKR-UHFFFAOYSA-N 290.436 3.516 30 20 CHED CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NN[C@@H](C)C(C)(C)C 793114319 FTJQWBATQLASDA-YPMHNXCESA-N 299.459 3.690 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1ccc(C#N)cc1Cl 793116994 WFLVGFFSQMYKQU-NSHDSACASA-N 277.799 3.960 30 20 CHED COc1cccc(/C=C2\CCc3ccc(O)cc3C2=O)c1 794960897 YTALHWLTJZMGQX-NTEUORMPSA-N 280.323 3.613 30 20 CHED Cc1ccc(CC(=NNc2ncccc2F)C2CC2)cc1 794985901 VRBBULPNYWURQO-UHFFFAOYSA-N 283.350 3.950 30 20 CHED CC(C)c1cccc2c1OCCC2=NNc1cccc(F)n1 795008853 PUOZUAXAQBISFP-UHFFFAOYSA-N 299.349 3.943 30 20 CHED COCCCON=C(C)[C@H](C)c1ccc(Cl)cc1 795049126 XAVQESRUSYHHOP-NSHDSACASA-N 269.772 3.873 30 20 CHED C#CCCCOc1ccccc1CNC(=O)OC(C)(C)C 795228943 QNNKVFINMCJLQT-UHFFFAOYSA-N 289.375 3.504 30 20 CHED C=CCCOc1ccccc1CNC(=O)OC(C)(C)C 795228948 QVKHVKNFNMIGBM-UHFFFAOYSA-N 277.364 3.666 30 20 CHED C[C@H](OC(=O)c1ccoc1C1CC1)c1cccc(C#N)c1 798706169 COMFEOMUSBZQHZ-NSHDSACASA-N 281.311 3.947 30 20 CHED CCc1ccc(OC(=O)/C=C/c2ccccc2C#N)cc1 799640113 LRYGRQUECBVORK-FMIVXFBMSA-N 277.323 3.739 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3c(c2)CCO3)oc1C 799895525 CNUJJMZHZMAXAB-HWKANZROSA-N 268.312 3.727 30 20 CHED C/C=C(/C=C\C(=O)OCCCC1(C#N)CCOCC1)CC 800185674 LCYPOJUUYPFPJJ-YAJAXTJBSA-N 291.391 3.543 30 20 CHED c1ccc2sc(NN=C3CCC[C@H]4C[C@@H]34)nc2c1 800803686 LBOLLYMBROSGOK-VHSXEESVSA-N 257.362 3.884 30 20 CHED C[C@@H](C#N)OCCN1C[C@H](C(C)(C)C)c2ccccc21 801950529 LREYPYXTYIUEDD-ZFWWWQNUSA-N 272.392 3.565 30 20 CHED CC[C@@H](SCCO[C@@H](C)C#N)c1ccc(F)cc1 802752422 QEWMIKQCAKKXKX-SMDDNHRTSA-N 267.369 3.939 30 20 CHED C#CCCCC(=O)Nc1ccc2cc(OC)ccc2c1 803455396 PLGAIVDWYRTDLT-UHFFFAOYSA-N 267.328 3.590 30 20 CHED CCCCCCCC(=O)NCCCc1cccc(C)n1 804144930 STKZCJYUDANNCS-UHFFFAOYSA-N 276.424 3.799 30 20 CHED C=C(Cl)COC(=O)c1ccc(OC)c2ccccc12 804339719 KDEGLAHKTVUCFU-UHFFFAOYSA-N 276.719 3.758 30 20 CHED C=CCCCCCCNC(=O)C[C@@H]1CCO[C@@H](CC)C1 805218072 RAAWSJDGMLPKFP-CVEARBPZSA-N 281.440 3.834 30 20 CHED CC[C@H]1CC[C@H]1NCc1cccc(O[C@@H](C#N)CC)c1 806147191 UVZAJXYQKYHVEL-ZMSDIMECSA-N 272.392 3.646 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(-c2nccs2)cc1 806149803 IDPWQSJNZGCWND-ZDUSSCGKSA-N 299.399 3.734 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cccc(Sc2ccccc2)c1 806262537 KRFAYYUYHSDVQM-CYBMUJFWSA-N 296.395 3.981 30 20 CHED C#C[C@H](NC(=O)c1cnc(-c2ccccc2)s1)C(C)(C)C 807878937 IHRSWHCATMDTAJ-AWEZNQCLSA-N 298.411 3.588 30 20 CHED CCc1cccnc1C(C)=NNc1nccnc1C1CCC1 807993134 URPGIIIWQYOYMQ-UHFFFAOYSA-N 295.390 3.538 30 20 CHED Fc1ccc(/C=C/C=NNCC2CCCC2)c(F)c1 808007328 ZRTSSGZNFBRHCX-PSJHPDIJSA-N 264.319 3.744 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C1(C(F)F)CCCC1 808614614 NZSHOAHJGVYXFI-UHFFFAOYSA-N 293.313 3.735 30 20 CHED C#CCCCc1nc(-c2ccccc2OCC(C)C)no1 809326500 LMNCKWZFEBHURY-UHFFFAOYSA-N 284.359 3.727 30 20 CHED C#C[C@H](C)NCc1ccc(-c2cccc(F)c2)s1 809682986 KUCHSUWUDMBJMA-NSHDSACASA-N 259.349 3.666 30 20 CHED C=CCCCCCCCNC(=O)N(C)CC(C)C 809852864 OOLKSIZNAFINDG-UHFFFAOYSA-N 254.418 3.810 30 20 CHED CCCCCCCS(=O)(=O)N1CC2(CCC2)[C@@H]1C1CC1 810086612 MOLCLIKEKAULDN-HNNXBMFYSA-N 299.480 3.551 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1nccc2ccccc12 810209620 UCYCLXXTZMYMAF-CQSZACIVSA-N 287.366 3.957 30 20 CHED COCc1ccc(N[C@H]2CCc3ccc(C#N)cc32)cc1 810237399 HQTBEMRDCUJEFO-SFHVURJKSA-N 278.355 3.804 30 20 CHED O=C1/C(=C\c2ccc3ncccc3c2)Cc2c(O)cccc21 810248828 FGXYTQRUVSYPDI-UVTDQMKNSA-N 287.318 3.763 30 20 CHED C=CCCCCCCCNC(=O)c1occ2c1CCOC2 810766936 QISOPDWBFCOHEE-UHFFFAOYSA-N 291.391 3.609 30 20 CHED CC(C)c1scnc1C(=O)O[C@H](C#N)C1CCCCC1 811264837 MMBFXTZYWNQASJ-GFCCVEGCSA-N 292.404 3.896 30 20 CHED C=C(C)COC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 811373702 KTUXWJIOHJEGRY-UHFFFAOYSA-N 290.102 3.635 30 20 CHED C#C[C@H](C)NC(=O)N[C@H](c1cccs1)C(CC)CC 812009571 BDDCACCJFJAMCQ-FZMZJTMJSA-N 278.421 3.546 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCCc3ccc(O)cc32)c1 812725036 UBCSUVSDLGPXDY-SFHVURJKSA-N 296.345 3.570 30 20 CHED C#CCCc1noc(-c2sc3ccc(C#N)cc3c2C)n1 813889593 IIPCGZLPRDFYEA-UHFFFAOYSA-N 293.351 3.697 30 20 CHED CC(C)[C@H]1N(C(=O)/C=C\c2ccccc2C#N)CC12CCC2 814135659 LVXJFOYFPIAVHD-CNZFZVQHSA-N 294.398 3.609 30 20 CHED COc1cccc2cc(C(C)=NOCC3CC3)oc12 814244047 BURIRPQVTVEOTM-UHFFFAOYSA-N 259.305 3.592 30 20 CHED C#CCOCSc1nc2cc(Cl)ccc2n1CCC 814729223 HAHSUZADXYQDTB-UHFFFAOYSA-N 294.807 3.799 30 20 CHED CCCCNN=C(C)c1nc(-c2ccccc2)cs1 814806167 XWHSSCHNXYCGGO-UHFFFAOYSA-N 273.405 3.924 30 20 CHED FC(F)(F)c1ccc(NN=C[C@@H]2CCCOC2)cc1 814882205 JZJCKFPWQWRGSA-JTQLQIEISA-N 272.270 3.530 30 20 CHED CCOc1ccc(NN=C(C)c2ccsc2)cc1 814983489 LCCKNSYDVXPVFU-UHFFFAOYSA-N 260.362 3.983 30 20 CHED CCOc1ccc(NN=C(C)c2sc(C)nc2C)cc1 814983870 RCFLRIIZXKYBHC-UHFFFAOYSA-N 289.404 3.995 30 20 CHED C=CCC(F)(F)C(=O)NC[C@]1(C)CCCc2ccccc21 815946908 JGJYJNJUTMROBK-INIZCTEOSA-N 293.357 3.608 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 816517565 UXSFKGSBEBCYID-UKRRQHHQSA-N 293.357 3.911 30 20 CHED CC[C@@H]1CCC[C@H](C=NN[C@H](C)c2ccncc2)C1 819816663 MNAGKINKDVPVQS-KFWWJZLASA-N 259.397 3.934 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 819963208 JVUBUOFKGAFOGJ-LLVKDONJSA-N 277.320 3.801 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(N=S(C)(C)=O)cc1 820398684 BJPLXWARDSBHQK-GFCCVEGCSA-N 294.420 3.587 30 20 CHED CC(C)(c1noc([C@H](N)CCCC#N)n1)C1CCCCC1 823105357 BDQQKQKOHHMBHM-CYBMUJFWSA-N 290.411 3.621 30 20 CHED C#CCO[C@H](C)C(=O)N(C1CCCC1)[C@@H](C)c1ccccc1 823826632 MSCWEQHUSJNGOI-JKSUJKDBSA-N 299.414 3.557 30 20 CHED C#CC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 830311339 KNQIBTCLFGDHGY-UHFFFAOYSA-N 282.412 3.655 30 20 CHED CCn1nnc(C)c1/C=C1/C(=O)c2ccccc2[C@H]1C(C)C 834438154 IHLPJDBINKDHIC-IUYQLWOBSA-N 295.386 3.626 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1nc(Br)cs1 834654611 PZKXPKZEEFLJKO-YUMQZZPRSA-N 275.215 3.521 30 20 CHED O=C1/C(=C/c2ccc(Cl)s2)Cc2c(O)cccc21 834822105 AAXXBMHKIVKUPH-SOFGYWHQSA-N 276.744 3.930 30 20 CHED CCc1nc(CN[C@H]2CCCCc3cc(C#N)ccc32)co1 834897372 FXKMZOXWIFWRGN-KRWDZBQOSA-N 295.386 3.666 30 20 CHED CSCC1CCC(=NNc2cccc([N+](=O)[O-])c2)CC1 834918391 XBHBPIGZDWOZJH-UHFFFAOYSA-N 293.392 3.916 30 20 CHED CC1(C)CCCC1=NNc1ccc(C(=O)O)c(F)c1 835009863 GCVNHQKVRTXHPW-UHFFFAOYSA-N 264.300 3.502 30 20 CHED COCCC1(C=NNc2ncc(F)cc2F)CCCCC1 835022280 FVLYAZYBJJXYLM-UHFFFAOYSA-N 297.349 3.745 30 20 CHED C#CCCOC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 835089441 BDXZALRQZWJNLS-JTQLQIEISA-N 270.250 3.533 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)c1ccc(Cl)cn1 835330598 YFHWRZGLOVLDJX-VIFPVBQESA-N 253.729 3.551 30 20 CHED CON=Cc1ccc(C(=O)N[C@@H](C)CCC=C(C)C)cc1 836792806 SWAHQUYKRBCXEY-AWEZNQCLSA-N 288.391 3.532 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)O[C@H]1CCC[C@H](C#N)C1 839057894 YTMNKPHZNWQWDW-IPYPFGDCSA-N 289.350 3.630 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(C2CC2)cc1 840720253 YLJVOGKSPLYEEJ-WDZFZDKYSA-N 280.371 3.810 30 20 CHED C=CCCCCCCNC(=O)NCc1cc(C)cc(N)c1 841903291 PIQKSIXYXIKMPN-UHFFFAOYSA-N 289.423 3.513 30 20 CHED C#CCCCCNC(=O)NCc1cccc2ccsc12 845046014 VGRKRQKVLAJFDK-UHFFFAOYSA-N 286.400 3.504 30 20 CHED C=C(C)CONC(=O)N(CC)C[C@@H](CC)c1ccccc1 845605323 KCINTXIELGIOOF-OAHLLOKOSA-N 290.407 3.719 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 845624956 VONMHPKFLGCKKC-NUEKZKHPSA-N 288.391 3.518 30 20 CHED CC[C@H](CC#N)OC(=O)CCCc1c(F)cccc1F 847691260 DPVFLTSGCUVUCH-LLVKDONJSA-N 281.302 3.523 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(N=S(C)(C)=O)c1 848212626 MNYVVYZCOBHGTR-UHFFFAOYSA-N 294.420 3.587 30 20 CHED C=CCCCCOc1cccc(OC(=O)NCC)c1 848521570 PRTHTASZWLDIIM-UHFFFAOYSA-N 263.337 3.530 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCCC(F)(F)C1 851203599 CGNIOFPPUNCYRJ-MNOVXSKESA-N 273.323 3.683 30 20 CHED C=CCC1(NCc2ccnc(Br)c2)CCCC1 852587884 KAJYNUOCHOCUJI-UHFFFAOYSA-N 295.224 3.823 30 20 CHED CCCNN=Cc1cc2cc(Br)ccc2o1 853290451 YMKKGCFMDRKZOP-UHFFFAOYSA-N 281.153 3.529 30 20 CHED C#CCCOC(=O)N[C@@H](c1ccccc1)C(C)(C)C 858898414 DCZGMIBHELNLMH-AWEZNQCLSA-N 259.349 3.523 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(OCCC)c(C)c1 863528842 QYCGMSYRKAIBPC-AWEZNQCLSA-N 291.391 3.704 30 20 CHED COc1ccc(N[C@@H](C)c2cccc(C#N)c2)c(F)c1 864021131 HOHJGVOHZRQQGE-NSHDSACASA-N 270.307 3.879 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(c2cccc(F)c2)CC1 872895536 KHVXWIHHMCWAAF-CYBMUJFWSA-N 290.382 3.679 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C=C 878496669 GRWXCIZBECQZIW-UHFFFAOYSA-N 282.387 3.675 30 20 CHED C=CC(C)(C)CC(=O)Nc1ncc(Br)cc1C 889590592 ROPUFSMMZJTIKI-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C=CCCc1ccccc1N[C@@H](C)c1cnccn1 894668926 UZYNVOJVXALQGK-ZDUSSCGKSA-N 253.349 3.768 30 20 CHED C=CCC(C)(C)c1nc([C@H](C)OCC(F)(F)F)no1 896614885 GZZPNJJGYPHVAY-QMMMGPOBSA-N 278.274 3.563 30 20 CHED C=C1CC(c2noc(-c3nc(C(C)C)ncc3Cl)n2)C1 896881513 IWZYKAOMROYRSH-UHFFFAOYSA-N 290.754 3.737 30 20 CHED C=C1CC(c2noc([C@@H](C)c3cccc(OC)c3)n2)C1 896883883 HLUPOXGWVYWWKX-NSHDSACASA-N 270.332 3.664 30 20 CHED CCn1cncc1/C=C1\CCCc2ccccc2C1=O 901415631 NLXRMJSBUFODAZ-GXDHUFHOSA-N 266.344 3.506 30 20 CHED CC(C)n1cncc1/C=C1\Cc2cc(Cl)ccc2C1=O 901480498 KDRXAXHYAHLGTQ-KPKJPENVSA-N 286.762 3.940 30 20 CHED CCON=C1CCOc2c(Cl)cc(Cl)cc21 912809333 ZGOKACVUPCAASK-UHFFFAOYSA-N 260.120 3.517 30 20 CHED CSc1ccc(Cl)c(C(=O)OCCCCC#N)c1 912956754 WLEVPSMXVRVLNZ-UHFFFAOYSA-N 283.780 3.913 30 20 CHED C(=NNc1cnccn1)c1ccc(-c2ccccc2)cc1 912958936 PFOCWOJCCQXIAK-UHFFFAOYSA-N 274.327 3.590 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N(C1CCCCC1)C1CC1 914501279 FBKAWCWJLKEKNZ-RAXLEYEMSA-N 294.398 3.895 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)c(C)c1 915106953 XVJFSWMCLKUIEG-MDZDMXLPSA-N 294.350 3.827 30 20 CHED Cc1ccsc1C=NNc1ccc(Cl)c(C(=O)O)c1 916260252 ZPDPJUGYXUCCPX-UHFFFAOYSA-N 294.763 3.854 30 20 CHED Fc1ccc(NN=Cc2ccc(F)c(F)c2)cc1 916268240 SFFWRKNRRYGKDP-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C=C(Cl)COC(=O)c1cc(SC)ccc1Cl 916610071 RNJMJBZQLURGPT-UHFFFAOYSA-N 277.172 3.971 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1CC[C@H]1c1ccccc1 918573559 XUDXWNVCSZWKHR-ZGKFYVQTSA-N 288.350 3.545 30 20 CHED C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 920061274 YCDDDUWNYGPTPT-QLFBSQMISA-N 293.455 3.640 30 20 CHED CC(C)c1ccc(C/N=C\c2cccc(O)c2O)cc1 920177217 DMIVECRQNOHQLI-WQRHYEAKSA-N 269.344 3.840 30 20 CHED C=CCCOCC(=O)OCc1csc2ccccc12 920822541 GKASJTGZIPKTQJ-UHFFFAOYSA-N 276.357 3.537 30 20 CHED CCOc1ccc(C=Nc2ccc(C)cc2)c(O)c1 920943579 QLPDLZNZXJKYRX-UHFFFAOYSA-N 255.317 3.850 30 20 CHED COc1ccccc1CC/N=C\c1cc(Cl)ccc1O 920944584 ZXFBBQRCKTUEIW-WQRHYEAKSA-N 289.762 3.716 30 20 CHED Cc1cc(Cl)ccc1N=Cc1cccc(O)c1O 920946008 NKZIADFBOHOETM-UHFFFAOYSA-N 261.708 3.810 30 20 CHED Cc1cc(C)cc(C=NNCc2cc(F)ccc2F)c1 921258156 NNXYNWHOCMKSGE-UHFFFAOYSA-N 274.314 3.705 30 20 CHED CS[C@@H]1CCC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 921926277 UVRWJFKDFANZNP-HZPDHXFCSA-N 286.444 3.811 30 20 CHED CCCc1nc(-c2noc(-c3cc(C#N)ccc3C)n2)co1 924072653 QBECTSBLOVHHCC-UHFFFAOYSA-N 294.314 3.524 30 20 CHED C=CCC1(O)CCN(C(=O)C(C)(C)CCCCC)CC1 924438928 WAOFFODOHILWRT-UHFFFAOYSA-N 281.440 3.523 30 20 CHED Cc1ccccc1C[C@@H](C)N[C@H](C)CC(C)(C)C#N 924823033 JJCFQLNBQUXGDE-HUUCEWRRSA-N 258.409 3.844 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H](C)Oc1ccc(F)cc1 925154321 BHVQOFVFWDDAMZ-CHWSQXEVSA-N 278.371 3.511 30 20 CHED CC[C@H](N[C@H](C)CC(C)(C)C#N)c1c(C)noc1C 925637426 LCOVJMBLVRWRNJ-MFKMUULPSA-N 263.385 3.661 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cc2ccccc2[nH]1 926623184 BWUHGGVWGCUVJM-GFCCVEGCSA-N 253.349 3.512 30 20 CHED C=CCC[C@@H](N[C@@H]1CCCc2cccnc21)C1CC1 927059899 OYRXINFAMKUGGB-HZPDHXFCSA-N 256.393 3.793 30 20 CHED N#Cc1c(F)cccc1CNCc1ccc(Cl)cc1F 1181114845 WMTJPNUBQRDEEX-UHFFFAOYSA-N 292.716 3.780 30 20 CHED Cc1ccc(CN(CC(C)C)c2ccc(C#N)cc2)cn1 1191838025 HIUDBGHYAMVVRP-UHFFFAOYSA-N 279.387 3.924 30 20 CHED C#C[C@H](CCC)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1255708819 FIZMKVCCHSUQEM-LLVKDONJSA-N 288.778 3.661 30 20 CHED CN(Cc1ccc(F)c(Cl)c1)c1cccc(CC#N)n1 1255846964 PZHBIWRPAOGTBR-UHFFFAOYSA-N 289.741 3.577 30 20 CHED C=C(C)CCC(=O)Nc1cc(Br)ccc1OC 1262604256 LRELBJFHEMGWEZ-UHFFFAOYSA-N 298.180 3.753 30 20 CHED C=C(C)Cn1c(-c2ccco2)nnc1N(C)c1ccccc1 1263294042 JLHVMUUNHITHLR-UHFFFAOYSA-N 294.358 3.882 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)c1ccc(OC)cc1 1264447845 MHQFMDHEXIHLIT-UHFFFAOYSA-N 294.354 3.542 30 20 CHED CC(C)[C@H](NC(=O)CC#Cc1ccccc1)c1ccccc1 1319641334 ZHEOBCZUWUZZEC-FQEVSTJZSA-N 291.394 3.942 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1323228352 ZQCGNKGLFTYRQD-NSHDSACASA-N 296.773 3.643 30 20 CHED C=C[C@@H](COC)NCc1ccc(OCc2ccccc2)cc1 1325617186 WMBQTXZOKQXHLT-SFHVURJKSA-N 297.398 3.556 30 20 CHED C[C@H]1CC=C(c2nnc(COc3ccc(C#N)cc3)o2)CC1 1327006667 LFEAAFPHOLNPHD-LBPRGKRZSA-N 295.342 3.724 30 20 CHED CC1CC(C#N)(C(=O)OCc2ccccc2C2CC2)C1 1327196111 WXWXPXOEMCUCGP-UHFFFAOYSA-N 269.344 3.547 30 20 CHED CCc1ccc([C@@H](C)C(=O)N[C@@H](C#N)C2CCCC2)cc1 1331519477 HXUHBKZXSZQIOE-DYVFJYSZSA-N 284.403 3.551 30 20 CHED C#CC[C@H](CCOC)NCc1ccc(SC(F)F)cc1 1331795361 QQGPYVQYJFJOEA-CYBMUJFWSA-N 299.386 3.519 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc(C(C)C)s1 1339281214 ZNAVJZJABXSSSS-GFCCVEGCSA-N 278.421 3.837 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)n(CC2CC2)c1C 1341815807 OFBJTAOTYMBTKJ-CYBMUJFWSA-N 288.435 3.990 30 20 CHED CN(C)c1ncccc1/C=C1/Cc2ccc(Cl)cc2C1=O 1342256480 ZRAFUERBDOAOOT-LCYFTJDESA-N 298.773 3.623 30 20 CHED N#Cc1ccnc(/C=C\c2cnc(-c3ccco3)s2)c1 1346403853 YNSUMKINVCQAIP-ARJAWSKDSA-N 279.324 3.840 30 20 CHED CC(C)Cc1ncc(C(=O)OCC2(C#N)CCCC2)s1 1358358504 COBAFOBPDIEWQM-UHFFFAOYSA-N 292.404 3.582 30 20 CHED N#Cc1ccccc1Oc1ccccc1COC(=O)C1CC1 1460039562 YTWUTVUCTLKYOC-UHFFFAOYSA-N 293.322 3.804 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2scnc2c1 1519632001 RTFFTQNMTFOKOL-JTQLQIEISA-N 288.372 3.781 30 20 CHED Cc1ccc2c(c1F)N(C(=O)c1ccc(C#N)cc1)CCC2 1524785349 NESYMCRFCAWTDO-UHFFFAOYSA-N 294.329 3.599 30 20 CHED COc1ccc(NC(=O)[C@H](C)c2ccccc2C)cc1C#N 1532696549 LFJWBRTZRYBLAF-CYBMUJFWSA-N 294.354 3.618 30 20 CHED COc1ccc(NC(=O)[C@H](C)CCC(C)(C)C)cc1C#N 1536117818 SQOTYBGXNMAVEE-GFCCVEGCSA-N 288.391 3.968 30 20 CHED Cc1c(F)ccc2c1N(C(=O)c1ccc(C#N)cc1)CCC2 1536513609 GPALMAWPKWOKNW-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C[C@H](CC#N)N(C)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 1537946612 KOWBGSZNVHPHCP-WOPDTQHZSA-N 290.329 3.506 30 20 CHED CC1(C)C[C@H]1CNc1c(Br)cccc1C#N 1559101476 IPKMVWDCRVMEPF-JTQLQIEISA-N 279.181 3.779 30 20 CHED CCc1ccc(C)nc1NC(=O)[C@@H](CC#N)c1ccccc1 1586107050 YKRFCPBCOZEGHI-INIZCTEOSA-N 293.370 3.588 30 20 CHED C=CC[C@@H](C)NCc1ccc(-c2ccccc2C(=O)O)o1 1588735475 ASHDZJOAOMMHRN-GFCCVEGCSA-N 285.343 3.699 30 20 CHED C=CCC[C@H](Nc1ccc(C(=O)O)cn1)c1ccccc1 1588778598 GFVOCRIHGGEHFS-HNNXBMFYSA-N 282.343 3.899 30 20 CHED C=C(C)C[C@H](C)C(=O)OCc1c(Cl)cccc1C(=O)O 1602746505 CMSOLPABCDOEFQ-JTQLQIEISA-N 296.750 3.684 30 20 CHED Cc1cc(N2CCCC3(CCCCC3)C2)c(C#N)cn1 1651496081 ZMSPLHFERMGXPA-UHFFFAOYSA-N 269.392 3.812 30 20 CHED COc1cc(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)ccc1C#N 1659161106 YSGKRUXKSJCQLT-JCGIZDLHSA-N 298.430 3.967 30 20 CHED C=C(CN[C@H]1CCC[C@@H](OCC)C1)c1ccccc1 1661311014 QIHHHMNTNCAHNL-DLBZAZTESA-N 259.393 3.637 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)Nc1sccc1C#N 1671445190 HAJFVLRNWYALFL-VIFPVBQESA-N 291.401 3.906 30 20 CHED CC[C@@H](C=NNc1ccc(CC(=O)O)cc1)c1ccccc1 1776084994 CUXWYFLSXKPZBN-HNNXBMFYSA-N 296.370 3.905 30 20 CHED C[C@H]1C(=NNc2ccc(F)cc2Cl)CC[C@@H]1CC(=O)O 1776106636 NZHFOSVQOGANCF-RKDXNWHRSA-N 298.745 3.768 30 20 CHED C=CCCCCCN1CC[C@@H]2C[C@@H](CC(=O)O)CC[C@@H]2C1 1776173382 KIUGRKVIXYDSGJ-GVDBMIGSSA-N 293.451 3.946 30 20 CHED C=CCN(Cc1ccc(Cl)cc1)[C@@H](CCC)C(=O)O 1776180579 SLALLFZBLACVHQ-AWEZNQCLSA-N 281.783 3.581 30 20 CHED CCCCN(CCCC)C(=O)c1ccc(C#N)cc1 20304322 MVNQERMTIBDIOB-UHFFFAOYSA-N 258.365 3.601 30 20 CHED CC[C@H](CNc1nnc(C)c(C)c1C#N)c1ccccc1 29387658 DREGEINKOGGKLL-CQSZACIVSA-N 280.375 3.571 30 20 CHED CN(Cc1ccc(C#N)cc1F)[C@@H]1CCc2ccccc21 29489388 GJHMEMKYYMZUML-GOSISDBHSA-N 280.346 3.817 30 20 CHED N#Cc1cccc(CNc2ccc(Cl)c([N+](=O)[O-])c2)c1 35222615 WDNHWJZZBABDCR-UHFFFAOYSA-N 287.706 3.732 30 20 CHED Cc1nc(CNc2cc(Cl)ccc2C#N)cs1 36954526 UCYJCHRIPMNFIK-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C[C@@H](NC1CCCCC1)c1ccc(OCC#N)cc1 37185962 JTBKWTMFGCKBOH-CYBMUJFWSA-N 258.365 3.572 30 20 CHED N#Cc1cnc2ccccc2c1NCc1cccs1 37507648 HQDWBBDAGJPRFU-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1 49418288 XUNMFROVAVPWIG-DHZHZOJOSA-N 268.312 3.687 30 20 CHED COc1cc(F)ccc1N[C@H](C)c1cccc(C#N)c1 49564323 IRGPVRFWVARNIR-LLVKDONJSA-N 270.307 3.879 30 20 CHED N#Cc1ccc(Oc2ccccc2[N+](=O)[O-])c(Cl)c1 52719438 RWGZQAUJGBUBSI-UHFFFAOYSA-N 274.663 3.912 30 20 CHED C[C@@H](C#N)CNCc1cccc(Oc2ccccc2)c1 54179225 AUHBAAAQIBHPEU-AWEZNQCLSA-N 266.344 3.728 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 55456047 ZACOYMUOFODTOZ-DLBZAZTESA-N 279.314 3.549 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C1CCCCC1 56212321 JWMLIAAAJCOFPW-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C[C@H](CC(=O)Nc1sccc1C#N)c1ccc(F)cc1 59850915 ADNIDABZILVWNR-SNVBAGLBSA-N 288.347 3.891 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccccc1C#N 63750878 LGYRUJXIWWXAHT-UHFFFAOYSA-N 289.382 3.841 30 20 CHED CC(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 68682781 JGOYRIGKBKIOSD-UHFFFAOYSA-N 250.729 3.586 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CCO1 70350661 KRAGFIPPULHMSW-ONGXEEELSA-N 284.281 3.556 30 20 CHED Cc1cc(C(=O)N(CC#N)c2ccccc2)c(C)s1 72749567 WFOHAMRMUHQTAT-UHFFFAOYSA-N 270.357 3.535 30 20 CHED CC(C)C[C@H]1CCN(c2snc(Cl)c2C#N)C1 75061139 QQKLQGQDFFGAME-SECBINFHSA-N 269.801 3.541 30 20 CHED Cc1ccc(C(C)(C)CN(C)C[C@@H](C#N)CCC#N)cc1 75861650 VMXIGKMQDFLWJQ-MRXNPFEDSA-N 283.419 3.648 30 20 CHED C=CCCCNc1cccc(C)c1C(=O)N1CCCC1 77245128 OTWLDCRJPYQWTI-UHFFFAOYSA-N 272.392 3.609 30 20 CHED N#Cc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1 77467797 YOVZPUMJZFTKAY-UHFFFAOYSA-N 282.774 3.991 30 20 CHED CCc1ccc(C(C)(C)CNC(=O)C2(C#N)CCCC2)cc1 79646004 OZYXCEPRHYQEFD-UHFFFAOYSA-N 298.430 3.727 30 20 CHED CCN(C(=O)[C@@H](C)C(F)(F)F)[C@H](C)c1ccc(C#N)cc1 79716162 CZLJTLUJKLWKKI-GHMZBOCLSA-N 298.308 3.666 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cccc2cc[nH]c12 80071206 HTPLAYQLMPDWMA-UHFFFAOYSA-N 283.375 3.570 30 20 CHED C=CCCC(=O)N1CC2(CCCC2)c2ccccc21 81578680 BDKIHLZYKSJLDE-UHFFFAOYSA-N 255.361 3.811 30 20 CHED C=CC[C@@H](C)NC(=O)C(C)(C)Cc1cccc(Cl)c1 84766287 FJLMRWMZWNQSEQ-GFCCVEGCSA-N 279.811 3.990 30 20 CHED N#Cc1ccc(NCC2(O)CCCCC2)cc1C(F)(F)F 88191601 WYNFUGDDEPOLCW-UHFFFAOYSA-N 298.308 3.684 30 20 CHED CC[C@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 88298791 OAOUGVSNRMNPSE-QWRGUYRKSA-N 261.325 3.703 30 20 CHED C=CCCOCCN[C@@H](C)c1sc(C(C)C)nc1C 90883747 FKZUZDODEXDGHT-LBPRGKRZSA-N 282.453 3.818 30 20 CHED CCN(C(=O)[C@H]1C[C@H]1C1CC1)c1ccc(C#N)c(Cl)c1 91206472 KVUAILXQKTZRSS-KBPBESRZSA-N 288.778 3.611 30 20 CHED CC(C)(C)c1cc(NC(=O)c2cccnc2)c(C#N)s1 91208814 IUFIBOYOSZXNQS-UHFFFAOYSA-N 285.372 3.565 30 20 CHED CCCC(=CC(=O)NC1(C#N)CCCCC1)CCC 92301261 VWUFBOLXKNIJPJ-UHFFFAOYSA-N 262.397 3.856 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1c(C)noc1C 92327404 PZTJTRYPVXAUNT-GFCCVEGCSA-N 286.375 3.707 30 20 CHED C=CCCCN(C)CCC1CCN(c2ccncc2)CC1 92821380 NXNDBPHHWOBLGH-UHFFFAOYSA-N 287.451 3.586 30 20 CHED N#Cc1csc(CN2CCC3(CCCC3)CC2)c1 93085426 YSYPWYZMBTZUNM-UHFFFAOYSA-N 260.406 3.776 30 20 CHED N#Cc1csc(CNc2cc3c(cc2Cl)OCO3)c1 93686066 RDCWPWGFNWJOEG-UHFFFAOYSA-N 292.747 3.614 30 20 CHED O=C(/C=C/C=C\c1ccccc1)c1ccc2c(c1)OCO2 96837323 WNQMEKRZFHDEGB-MVTUOISNSA-N 278.307 3.868 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C(C)C)c1 116862677 NCFGDVJQAABVPS-KGLIPLIRSA-N 275.392 3.658 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 119518527 NSURILNHJAKEAY-SFHVURJKSA-N 299.414 3.942 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(F)c(F)c1 120866216 PPCGOLGICPIZAE-ORCRQEGFSA-N 278.229 3.706 30 20 CHED CC(C)(C)CCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 121525293 VTYUUTDQNNGATI-LLVKDONJSA-N 269.348 3.565 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2nc3c(cc2C#N)CCCC3)C1 121949353 IOQPVDHRWXZHOO-OLZOCXBDSA-N 297.402 3.597 30 20 CHED CCC[C@@H](NCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 122259641 WMOFWTLTSKEOAI-CQSZACIVSA-N 275.352 3.575 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cc(Cl)ccc2C)n1 125903551 ZJFMVFRJFRHTJG-LBPRGKRZSA-N 290.775 3.903 30 20 CHED CC(C)CC1(CNC(=O)N(C)Cc2ccc(C#N)cc2)CC1 126598488 YJBFSGMOEOTDIV-UHFFFAOYSA-N 299.418 3.526 30 20 CHED C=CCC[C@@H](C)Nc1ccc(-c2nnco2)cc1C 130650969 VBICQOHEBWFINK-GFCCVEGCSA-N 257.337 3.812 30 20 CHED C[C@H](C[C@H](O)c1ccc(F)cc1)NCC(C)(C)CCC#N 130872931 DILDRRSFNHVWOO-CJNGLKHVSA-N 292.398 3.557 30 20 CHED N#CCCCCN1CCC[C@H](Oc2ccccc2Cl)C1 133231547 OJEMRIBZDMTLQQ-AWEZNQCLSA-N 292.810 3.877 30 20 CHED C=CCCN[C@H](c1cccc(Cl)c1)c1ccccn1 133754835 LFEFBMYFEIIYDS-MRXNPFEDSA-N 272.779 3.990 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 134383673 FLRKHQUCNVXEBY-MRXNPFEDSA-N 285.391 3.991 30 20 CHED Cc1ccnc(NCc2ccc(Cl)cc2)c1C#N 135060827 YTYRXYLMVXOURB-UHFFFAOYSA-N 257.724 3.527 30 20 CHED COc1cc(F)c(NCC#Cc2ccc(F)cc2)cc1F 135599664 XODMCUUXKCJTMX-UHFFFAOYSA-N 291.272 3.576 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc(F)c(Cl)c3)nc2c1 147670284 CPYCXFOUTROLFB-UHFFFAOYSA-N 271.682 3.894 30 20 CHED Cc1ccc(CC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 153145805 VVDJBZNABUCWTE-SFHVURJKSA-N 292.382 3.699 30 20 CHED CC(C)(C#N)CCCN1CCc2cccc(F)c2C1 157884312 FICFGBQXCRPMIM-UHFFFAOYSA-N 260.356 3.514 30 20 CHED CCCCn1ncc(Nc2ncc(C#N)cc2Cl)c1C 161127144 WNJMHOQUNQSDEH-UHFFFAOYSA-N 289.770 3.655 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2CCCc3sccc32)c1 161174032 WNZAYIIGFWQQJD-CQSZACIVSA-N 297.383 3.819 30 20 CHED CCS[C@H]1CCC[C@H](Nc2nc(C)ccc2C#N)C1 161713276 DAXMMOGCPPUDFC-KBPBESRZSA-N 275.421 3.738 30 20 CHED Cc1nc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1C#N 171490951 YNPKVUQNPBTCBD-SQWLQELKSA-N 298.386 3.777 30 20 CHED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 171881845 ZSGUBHSRPFSFNO-JTQLQIEISA-N 276.405 3.729 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)NC[C@H](C)C#N)cc1 172351060 STOPUPSYPVYYFK-KGLIPLIRSA-N 272.392 3.579 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ccc(Br)cc1 175085280 CERSEMULUSOPHZ-NSHDSACASA-N 296.208 3.983 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc2[nH]ccc12 176224794 CQOUIRXTQXOXFJ-UHFFFAOYSA-N 283.375 3.570 30 20 CHED COC(=O)c1oc(CSc2ccccc2C#N)cc1C 176680012 YOBGJCCGKHENCB-UHFFFAOYSA-N 287.340 3.539 30 20 CHED CCCCCCCCC(=O)N1CCO[C@@H](c2ccco2)C1 176735052 MFJSWLVFPWFSLW-MRXNPFEDSA-N 293.407 3.930 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1c1ncc(C#N)cc1Cl 176807149 AQDSHNMCFTUCMQ-SWLSCSKDSA-N 297.789 3.989 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cn(C)nc1-c1ccccc1 179771901 ILGYKWBJPMCUTA-CQSZACIVSA-N 297.402 3.562 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)[C@H](C)C2 180145809 FXCHZGXAWLHKIK-KUHUBIRLSA-N 276.383 3.890 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1cccc(C#N)c1 182283760 HNLLLCMHMAEFDR-SOFGYWHQSA-N 265.287 3.902 30 20 CHED COc1ccc([C@H](C)CN(CCC#N)Cc2ccco2)cc1 183497838 RYBFWDQYWIRCTN-OAHLLOKOSA-N 298.386 3.808 30 20 CHED CC[C@@H](CC#N)Nc1nc(C)nc2sc3c(c12)CCC3 184153522 ZMKWUBOKOQEHER-JTQLQIEISA-N 286.404 3.593 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)OCC(C)(C)CC#N 184814205 URXKCRNXVVDRBB-UHFFFAOYSA-N 270.332 3.573 30 20 CHED CC#CCCCC(=O)NCCOc1ccc2ccccc2c1 184932569 YJCGPRWQZQWQLX-UHFFFAOYSA-N 295.382 3.528 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1C[C@]1(C)C(C)C 185209205 LPUCROAVDNOQJS-GDBMZVCRSA-N 277.433 3.945 30 20 CHED Cc1ccc2cc(CN(CC#N)C3CCCC3)ccc2n1 187346786 BLTDATGSXUJCDW-UHFFFAOYSA-N 279.387 3.811 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1cccc(F)c1C#N 188412394 VPQRSCPUUCIPDP-CHWSQXEVSA-N 296.345 3.619 30 20 CHED C[C@@H](SCc1noc(C2CC2)n1)c1cccc(C#N)c1 190804693 YZBDNNXXUIXNEW-SNVBAGLBSA-N 285.372 3.813 30 20 CHED CC(C)n1cc(CNc2ccc(Cl)c(C#N)c2)cn1 191836788 VJBNUJANMYATQX-UHFFFAOYSA-N 274.755 3.601 30 20 CHED C#CCCCC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 192137070 PGGAUUCPCMRGMK-CJNGLKHVSA-N 273.351 3.539 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc(-c3ccn[nH]3)c2)C1 193586380 FBGNNOFXHFMFMV-GXTWGEPZSA-N 266.348 3.571 30 20 CHED CCCCCOc1ccc(/C=C\C(=O)c2cnn(C)c2)cc1 210068432 ZHFYJVSLKJXXJU-FLIBITNWSA-N 298.386 3.885 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(Cl)cc1N 232515956 RATZAGXCMCOXPI-UHFFFAOYSA-N 294.782 3.799 30 20 CHED Cc1cc(C)cc(Nc2nccc(C#N)c2Cl)c1 235840584 CRSYDLZBKTYXHD-UHFFFAOYSA-N 257.724 3.967 30 20 CHED N#Cc1ccc(CNCCc2ccc(C(F)(F)F)cc2)o1 237839112 RSWZFWQUDMQOQO-UHFFFAOYSA-N 294.276 3.502 30 20 CHED C(=NN=C(c1ccccc1)c1ccccc1)c1ccncc1 254702892 HVDDERZMYLAPGL-UHFFFAOYSA-N 285.350 3.953 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1 255159925 AQVYPEMKDMCIPP-YWEYNIOJSA-N 269.325 3.524 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ncccc2C#N)C1 266185396 AMKJPXWNVRYLEW-WBMJQRKESA-N 281.334 3.680 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)c1cccc(Cl)c1 266263272 WROPXSZEAATPKF-GHMZBOCLSA-N 251.757 3.524 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 268310452 WPTCGGNUVRQKAK-MRXNPFEDSA-N 287.378 3.910 30 20 CHED C=C[C@H](CC(=O)N1CCOCC12CCCC2)c1ccccc1 270690842 WFHIFTPVSUNKPS-MRXNPFEDSA-N 299.414 3.518 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(Cl)c(F)c2)[C@H]1C#N 278080154 XSLPLVOMDLFNDM-ZDUSSCGKSA-N 294.757 3.633 30 20 CHED CC[C@@H](NCc1cccc(OC)c1)c1ccc(C#N)cc1 278251378 MMGCZLDEXBLLGU-GOSISDBHSA-N 280.371 3.808 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1cccc(Cl)c1 278378542 HJKLWNGXBHGSOE-UHFFFAOYSA-N 264.756 3.633 30 20 CHED CC[C@H](Cc1ccccc1)N(CC)C(=O)CC(C)(C)C#N 279024998 PBYSVTOQOVGHAG-MRXNPFEDSA-N 286.419 3.796 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccnn2C(C)C)s1 280118915 WNXNAHIZNAUVSN-FNORWQNLSA-N 274.389 3.984 30 20 CHED CCc1occc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 280307971 AXBVDKGOYYAJQV-UHFFFAOYSA-N 285.347 3.522 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(F)c(F)c(F)c1 280898391 QXNDESZYCRCUIB-USBNGQNGSA-N 299.336 3.736 30 20 CHED Cc1cc(NC(=O)N(C)C[C@H](C)C#N)cc(C)c1Cl 283120689 YHINTFLGOGXYFA-SECBINFHSA-N 279.771 3.580 30 20 CHED CCCN(CC#N)C(=O)c1coc2ccc(C(C)C)cc12 286014134 NRZPNJNLFOGSNQ-UHFFFAOYSA-N 284.359 3.932 30 20 CHED Cc1ccc(F)cc1C1(c2noc(C3(C#N)CCC3)n2)CC1 289223498 VUUYYBRCUKJSIU-UHFFFAOYSA-N 297.333 3.542 30 20 CHED C=CCC[C@@H](NC(=O)OC1CCOCC1)c1ccccc1 289468118 MSODMPAKWNOAFU-MRXNPFEDSA-N 289.375 3.599 30 20 CHED C#CCC1(c2nc(CCC(F)(F)F)no2)CCCCC1 290187751 SWFMJYNLGLZHQT-UHFFFAOYSA-N 286.297 3.790 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)c(F)cc1OC 291714784 VNBXDDBVPJRIJR-CQSZACIVSA-N 269.291 3.514 30 20 CHED CC(C)O[C@H](CO/N=C1/CCCOCC1)c1ccccc1 292147997 VAHPJWYSENBYON-FXBHHXAOSA-N 291.391 3.726 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(NC(=O)OCC)cc1 292280150 RYXRPDUTANYDGQ-UHFFFAOYSA-N 291.347 3.763 30 20 CHED Fc1ccc(C#CCNc2ccc([C@H]3CCOC3)cc2)cc1 297598762 HYSOIICVQBFIRR-KRWDZBQOSA-N 295.357 3.793 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCc1cccc(C#N)c1F 300241831 VCDFWTOHSQGOSE-TYNCELHUSA-N 260.356 3.612 30 20 CHED CCO[C@H]1C[C@@H](N(C)c2ncccc2C#N)C12CCCCC2 301489093 KLDXUVFVLLPLSI-CVEARBPZSA-N 299.418 3.517 30 20 CHED CC[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H](C)O1 302309160 SBFUZCQGRHRXNU-ZYHUDNBSSA-N 298.308 3.581 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)[C@H](C)CC 302944149 BSOANSZNRLJZEE-CVEARBPZSA-N 288.435 3.861 30 20 CHED CC(C)SCCNc1ccc(C#N)c(Cl)c1 304234655 BRMQMLJCWLYZIF-UHFFFAOYSA-N 254.786 3.765 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(Cl)c2F)cc1F 307963674 OXPPSDIKDPIFOH-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCCCCCCNc1nccn2nc(C)cc12 311980463 OHTVHKRNTBAKMZ-UHFFFAOYSA-N 258.369 3.586 30 20 CHED Cc1ccnc(NC(C2CCC2)C2CCC2)c1C#N 324759825 XVZHEDHFOJXHDT-UHFFFAOYSA-N 255.365 3.642 30 20 CHED Cc1sc(N=C(O)[C@H]2CCC(=O)C[C@@H]2C)c(C#N)c1C 329261619 FWEQVUGZDYSTTL-UFBFGSQYSA-N 290.388 3.830 30 20 CHED Cc1noc(C)c1C/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329612997 ORNWBFLRLDTHHM-BFHYXJOUSA-N 276.380 3.759 30 20 CHED CC1(C)C[C@@]1(C#N)/N=C(/O)C(C1CCC1)C1CCC1 330157944 PSJGAHYUCAWJPG-INIZCTEOSA-N 260.381 3.852 30 20 CHED CC[C@H](C)/N=C(/O)Nc1ccnn1[C@@H](C)CC(C)C 330893522 YUGRHYMXSLKELZ-RYUDHWBXSA-N 266.389 3.615 30 20 CHED CC(C)(C)c1csc(NC(=O)c2cncs2)c1C#N 334831482 ZPOPZHIUKLHDJK-UHFFFAOYSA-N 291.401 3.626 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)s2)c(C)c(C)c1O 335291055 ALLQJAQYBLBXCX-UHFFFAOYSA-N 286.356 3.503 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)s1)c1ccccc1 335389579 UOQMPOMJDRGAIW-UHFFFAOYSA-N 270.357 3.675 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(Cl)c(F)c1 335836682 NOIKVLYYTOEXBF-UHFFFAOYSA-N 278.670 3.505 30 20 CHED C[C@H](C(=O)N1CC[C@H]1c1ccccc1)c1cccc(C#N)c1 336524644 WVOIDLNPQYYPRB-KSSFIOAISA-N 290.366 3.635 30 20 CHED Cc1cc(C(=O)Nc2ccccc2CC#N)sc1C 336527895 IYQDZKWGXBRZJO-UHFFFAOYSA-N 270.357 3.683 30 20 CHED C=CCCC(=O)N[C@H](CC)c1cccc(Cl)c1 338605198 GRPWQGIXFXXLCV-CYBMUJFWSA-N 251.757 3.874 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(F)cc1OCC)OCC 339202402 MUUHVWISHGKSKS-AWEZNQCLSA-N 295.354 3.534 30 20 CHED N#CCc1ccc(NC(=O)c2cncc3ccccc23)cc1 340192852 QNHDGGIQMLPPKQ-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=CCC(C)(C)c1noc(C[C@H](C)c2c(C)noc2C)n1 340773152 LCHYGWCQVRDWLV-JTQLQIEISA-N 289.379 3.874 30 20 CHED CC(C)c1ncc(CNC2(c3cccc(C#N)c3)CC2)s1 341235216 DSMFHMLBBGYOKZ-UHFFFAOYSA-N 297.427 3.917 30 20 CHED C=CC[C@@H](C(=O)N(C)CCCSC)c1ccccc1 342149541 AACZUUKQRGTRJB-OAHLLOKOSA-N 277.433 3.558 30 20 CHED Cc1cccc(CN(C)C(=O)Nc2ccc(F)c(C#N)c2)c1 343172568 UWUHYMKAVKDVQK-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CCOc1cccc([C@H]2C[C@@H]2Nc2nccc(C)c2C#N)c1 343537366 MSEXABUQOZNUBK-WBVHZDCISA-N 293.370 3.628 30 20 CHED N#CC1(CSCc2csc(C3CC3)n2)CC1 344481543 UNPWFVQYNPPHMN-UHFFFAOYSA-N 250.392 3.557 30 20 CHED C=C(C)CN(C)Cc1cnn(-c2ccc(Cl)cc2)c1 353160947 ABPGDBPKVKMMCN-UHFFFAOYSA-N 275.783 3.534 30 20 CHED N#Cc1cccc(C(=O)N[C@H](c2ccccc2)C2CCC2)c1 354945338 WZWAYSCWKDVNJG-GOSISDBHSA-N 290.366 3.829 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(CCC#N)Cc1cccnc1 355254171 CKFAOFAZMJJLDG-IRXDYDNUSA-N 299.418 3.540 30 20 CHED CCOc1ccc(C#N)cc1NCc1cccc(OC)c1 357498675 VIAYNSUIIURKKC-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 359532809 WEHKZLQZACKOED-AWEZNQCLSA-N 269.392 3.798 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@@](C)(F)C1 362411435 PBKRKCDONJSJRI-OAHLLOKOSA-N 279.380 3.539 30 20 CHED N#CCCC1CCN(Cc2ccc(Cl)c(F)c2)CC1 399362987 HCEYMODDIHEPOG-UHFFFAOYSA-N 280.774 3.995 30 20 CHED C=CCCCN(C)Cc1cc(Br)cs1 404187100 LWCAMAJASIXYHI-UHFFFAOYSA-N 274.227 3.909 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(-c2ccccc2)[nH]1 410135273 MJGLHFJYUMNNGK-CQSZACIVSA-N 268.360 3.766 30 20 CHED CN(CCCC1(C#N)CCOCC1)C1CCCCCC1 410307869 SLNMZDVOVSWOLR-UHFFFAOYSA-N 278.440 3.742 30 20 CHED CCCN(CCc1cccc(F)c1)[C@@H]1CC[C@@H](C#N)C1 411284111 RQBQSHZEXOBBNS-NVXWUHKLSA-N 274.383 3.772 30 20 CHED CN(CC[C@H]1CCCCN1C)CCC1(C#N)CCCCC1 411291054 IKJPYAQJNKAREF-QGZVFWFLSA-N 291.483 3.657 30 20 CHED N#CCCCN[C@H](c1ccccc1)C1(CO)CCCCC1 412015503 TYEKVLUZHOABJP-QGZVFWFLSA-N 286.419 3.564 30 20 CHED CCN(C(=O)CSCCC#N)c1cccc2ccccc12 413014437 QJFYGDANNNIUPN-UHFFFAOYSA-N 298.411 3.840 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cccc(Cl)c1 414169115 RLHAGRKDXVNREM-LLVKDONJSA-N 250.773 3.930 30 20 CHED Cc1c(CSCC2(C#N)CCC2)cccc1[N+](=O)[O-] 419586080 QVMANQBVEBTVOV-UHFFFAOYSA-N 276.361 3.830 30 20 CHED C[C@H]1CC[C@@H](C)N1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419652817 VSUIVFPQEWRRSJ-AHIWAGSCSA-N 297.402 3.518 30 20 CHED CC[C@H](C)CNC(=O)c1sc2ccc(C#N)cc2c1C 421596711 RALMJJUDSGARMQ-JTQLQIEISA-N 286.400 3.857 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1cccc(Cl)c1 424546197 QEGHNQQJXFLXNZ-UHFFFAOYSA-N 265.784 3.601 30 20 CHED CC(C)CCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425127685 JBLLHDUMSHDBIQ-ZDUSSCGKSA-N 258.365 3.514 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(CC2(C#N)CC2)C1 425547253 UVXXKEQGFPBQPA-OAHLLOKOSA-N 254.377 3.763 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc2c(F)cccc2[nH]1 426577952 FUVQWLOUKBFUJA-CYBMUJFWSA-N 258.340 3.848 30 20 CHED COC[C@H](C)Nc1ccc(Oc2ccccc2)c(C#N)c1 428408565 KMMRAARWAIHZBT-ZDUSSCGKSA-N 282.343 3.797 30 20 CHED CC[C@H]1C[C@H](C)CN1C(=O)Nc1cccc(C#N)c1C 431715312 ZIBSLBOYLJNLFD-FZMZJTMJSA-N 271.364 3.519 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ccc(C#N)c(Cl)c1 435597383 JCXJEMWQYYZMGL-SWLSCSKDSA-N 276.767 3.605 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(C(F)(F)F)c1 435749137 RNPJPJQFKZFOAR-DZGCQCFKSA-N 299.336 3.776 30 20 CHED C[C@H](CN(C)c1c(C#N)cccc1C#N)c1ccccc1 436381083 HJNKHMYZPMRNNW-CQSZACIVSA-N 275.355 3.670 30 20 CHED C=CCOc1ccc(CN[C@H]2CC[C@@H](C)C2)cc1OC 436404583 CCKXBEZPZPJBEP-HIFRSBDPSA-N 275.392 3.538 30 20 CHED N#Cc1csc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)c1 437569273 OZLSLRQPKLVOAI-GJZGRUSLSA-N 296.395 3.686 30 20 CHED C=C(C)[C@@H](NC(=O)N[C@@H]1C[C@H]1CC)c1ccc(F)c(F)c1 437810569 MYHCESWOECXRSN-VCTAVGKDSA-N 294.345 3.680 30 20 CHED C=CCCCC(=O)N[C@H](C1CCCCC1)C(F)(F)F 439863175 XMUMWBRHIYZUSX-CYBMUJFWSA-N 277.330 3.970 30 20 CHED C[C@H]1CCCC[C@H]1N(C)CC#Cc1ccc(F)cc1 444656364 FAMJIAZDKPQFRO-WMLDXEAASA-N 259.368 3.688 30 20 CHED CC1(C)CCCN(Cc2cc3ccccc3o2)[C@H]1C#N 444728957 LVHWMWGVMVQMFQ-INIZCTEOSA-N 268.360 3.947 30 20 CHED COc1ccc2c(c1)CN(CC#N)[C@@H](C1CCCCC1)C2 444753362 YSHHCFHEYAIITO-GOSISDBHSA-N 284.403 3.526 30 20 CHED C=CCOCc1nc(C(C)(C)c2ccccc2Cl)no1 445680533 DIEJZYOYOCZZND-UHFFFAOYSA-N 292.766 3.752 30 20 CHED N#Cc1ccc(F)c(CN2CCCC3(CCCC3)C2)c1 445855694 MMARSTMBJUXMDI-UHFFFAOYSA-N 272.367 3.854 30 20 CHED C=CCCCC(=O)NCc1ccc(C)cc1OC(C)C 446408084 DXVFVDLQSYWBJO-UHFFFAOYSA-N 275.392 3.755 30 20 CHED C=C(C)CCNC(=O)[C@H](c1ccccc1)[C@@H](C)CC 448551005 PPVCMRSNRYVFPN-HOCLYGCPSA-N 259.393 3.899 30 20 CHED CC(C)[C@H](CNC1CCC(C)(C#N)CC1)c1cccnc1 449183851 LLSMGPKEBQDRLV-ADKAHSJRSA-N 285.435 3.883 30 20 CHED C=CCCCC[C@H](C)NCc1ccnc(N2CCCC2)c1 449329453 OJPBNPGDKDKCRL-INIZCTEOSA-N 287.451 3.906 30 20 CHED C=CC[C@H](C)NC(=O)c1oc2ccccc2c1CC 449887752 KSVMVAKWLJKBLQ-NSHDSACASA-N 257.333 3.690 30 20 CHED C=C(C)CCNC(=O)c1sc2ccc(C#N)cc2c1C 452738731 KRURFOITISYDHJ-UHFFFAOYSA-N 284.384 3.777 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 455529217 YDGMUAGKPJLDAK-WFTPILKQSA-N 284.403 3.840 30 20 CHED Cc1cc(Cl)c(NC(=O)NCC2(CC#N)CC2)cc1C 455748702 PSZGNQBODHPLRQ-UHFFFAOYSA-N 291.782 3.772 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1C(C)(F)F 455779325 WNBDWDQHPPSHTA-UHFFFAOYSA-N 268.307 3.838 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1C(C)(F)F 455793883 RVBWGTQSCAGCQC-UHFFFAOYSA-N 268.307 3.886 30 20 CHED C=CCC1(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)CCC1 456349567 SRCAMOFYOBHLOM-CABCVRRESA-N 263.425 3.872 30 20 CHED C=CCC1(NC(=O)c2cnn(C(C)C)c2C)CCCCC1 456359995 CYWCKCVFKQZWDG-UHFFFAOYSA-N 289.423 3.781 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2ccc(CC#N)cc2)C1 456895448 CCRNDNYUIFDABU-OAHLLOKOSA-N 284.403 3.699 30 20 CHED CC(C)[C@H]1N(C(=O)C2(C#N)CCCCC2)CC12CCCC2 457154512 AJCDPCJEJZESEO-OAHLLOKOSA-N 288.435 3.888 30 20 CHED CC(C)[C@H]1N(C(=O)c2cccc(C#N)c2)CC12CCCCC2 458188230 MEDQAWMWYQATKP-QGZVFWFLSA-N 296.414 3.989 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2c(F)cccc2Cl)C1 463285711 TWTUKLDTXIUCMC-MNOVXSKESA-N 266.747 3.651 30 20 CHED Cc1ccc(CN(C)C)cc1N[C@@H]1CCC[C@H](C#N)C1 463298259 VKESBRNBVPZDND-GOEBONIOSA-N 271.408 3.551 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1CC1CCCCC1 464755310 WEVBCFQWOKPEAL-UKRRQHHQSA-N 264.413 3.705 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCSC(CC)(CC)C1 466377140 RIJQAYUKISXFNH-ZDUSSCGKSA-N 284.469 3.658 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H](CCC)C2)cc1 466846789 CMZSAOBCGMJCOR-OAHLLOKOSA-N 287.403 3.904 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 468530695 UHPLTLSHKXRXQD-YGRLFVJLSA-N 296.361 3.926 30 20 CHED N#Cc1nn(CCc2c(F)cccc2Cl)c2ccccc12 470457672 CECUBKCHLLWAPN-UHFFFAOYSA-N 299.736 3.943 30 20 CHED C=CCCCCNC(=O)N(C)[C@H](C)c1ccccc1F 472854575 VDFFJENYMBJFFC-CYBMUJFWSA-N 278.371 3.884 30 20 CHED C=C(CN[C@@H](C)C1CCSCC1)c1ccccc1 474614299 PELGDRQSGDVJMI-AWEZNQCLSA-N 261.434 3.821 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)Cc2ccccc2F)CC1 475118841 MALFSYFMHPDFFQ-ZDUSSCGKSA-N 275.367 3.619 30 20 CHED CCCCN(C(=O)c1ccc(C#N)s1)[C@@H](C)CC 487128122 DKKITGKMEUHQQB-NSHDSACASA-N 264.394 3.661 30 20 CHED CCSc1cccc(CNc2cc(C)nc(C#N)c2)c1 488677243 RPGHFKKERJSXIG-UHFFFAOYSA-N 283.400 3.986 30 20 CHED C=CCC(C)(C)CNC(=O)C(C)(C)Cc1ccccc1 489766824 LHURDDZHOMSJJO-UHFFFAOYSA-N 273.420 3.974 30 20 CHED Cc1cc(C)c(C#N)c(NCc2ccc(OC(C)C)cc2)n1 502109343 XACAMMVLCWLOCN-UHFFFAOYSA-N 295.386 3.969 30 20 CHED N#Cc1cccc(C(=O)NCCCc2ccc(Cl)cc2)c1 503316998 NGHMRVSUZSVAJG-UHFFFAOYSA-N 298.773 3.574 30 20 CHED CCCN(Cc1cn2ccccc2c1C#N)CC(C)C 505784414 PWIQVIZGWYKELQ-UHFFFAOYSA-N 269.392 3.679 30 20 CHED CCCC1CCC(N(C)C(=O)c2ccc(C#N)o2)CC1 506731679 RQUYLGHOTFPWPJ-UHFFFAOYSA-N 274.364 3.582 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](C)CC 512727316 FYDBJHAPELCTON-NEPJUHHUSA-N 289.379 3.513 30 20 CHED C=CCCCNC/C(C)=C/c1ccccc1COC 513324665 HJJFASCBXLILPC-NTCAYCPXSA-N 259.393 3.792 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](CC)Cc1ccccc1 513390954 UWSGXQGVMRQPHQ-HZPDHXFCSA-N 274.408 3.662 30 20 CHED Cc1cccc2cc(C(=O)N[C@@H](C#N)C(C)(C)C)sc12 514688832 ULPKNDGVMIUVNH-ZDUSSCGKSA-N 286.400 3.878 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@H](C)CCC 514819588 YFZXEAHTUBFJEM-CHWSQXEVSA-N 264.417 3.602 30 20 CHED C/C=C\c1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1 515169594 NOYDVLDZCGKHDY-RQOWECAXSA-N 291.354 3.642 30 20 CHED CN(Cc1ccc2ccccc2c1)Cc1ccc(C#N)cn1 517006775 HOZSEXFXCDPPJI-UHFFFAOYSA-N 287.366 3.738 30 20 CHED C=CCCCCCNc1ccc(C(=O)NCC)cc1C 518896518 IZFKUGSSXBAMIR-UHFFFAOYSA-N 274.408 3.903 30 20 CHED C=CCCS[C@@H]1CCCN(c2cc(C)ccc2F)C1=O 523521270 YYJLMIXTXYUOGU-OAHLLOKOSA-N 293.407 3.939 30 20 CHED CC1(C)COc2cc(NCc3ccc(C#N)cc3F)ccc21 527746499 UDMACUXMFQXJHN-UHFFFAOYSA-N 296.345 3.979 30 20 CHED C=CCCN(C)C(=O)c1cc2cscc2s1 529129044 MWASAEDAMBQAJK-UHFFFAOYSA-N 251.376 3.611 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)c1 529473098 QICDHIMLYUBGBG-RVSPLBMKSA-N 268.360 3.632 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc2c1OC(C)(C)C2 530501966 KDWVLVPIBVJTAG-KRWDZBQOSA-N 273.376 3.941 30 20 CHED CC(C)N(CCC#N)C(=O)CC[C@H](C)c1ccccc1 533542368 VFTWLCGUHWUQJJ-HNNXBMFYSA-N 272.392 3.721 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(OC)ccc1O)c1ccccc1 535413954 JEVUCTBPMSJCSQ-ZDUSSCGKSA-N 297.354 3.699 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(CC#N)cc1 535589625 RECAHZQVUXUWGL-LBPRGKRZSA-N 258.365 3.763 30 20 CHED C=C(C)[C@@H](CC(=O)NC1(c2ccccc2)CCC1)OCC 535891615 JZUOAZCDQUMMEH-MRXNPFEDSA-N 287.403 3.553 30 20 CHED CCC1(CC)[C@H](N[C@@H](C)c2ccc(C#N)cc2)C[C@H]1OC 538397967 HOILUFREVWUEPK-IAOVAPTHSA-N 286.419 3.803 30 20 CHED C=C(CC)CSCCC(=O)Nc1cc(F)cc(F)c1 539095523 NTGGIOWCNUEFKB-UHFFFAOYSA-N 285.359 3.993 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2ccc(CC#N)cc2)cc1 542209545 RPQHSHORUFYLQZ-OAHLLOKOSA-N 294.398 3.954 30 20 CHED C[C@@H](C#N)CNCc1c(OC(F)F)ccc2ccccc12 543623294 DNAIDBUANSETFZ-NSHDSACASA-N 290.313 3.690 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)CC(C)(C)C1 544285454 IKYKOVXUNDRGSB-LBPRGKRZSA-N 285.391 3.767 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1C 548279394 MMTWTEQIVDQPTN-UEKVPHQBSA-N 290.794 3.766 30 20 CHED CC(=O)c1ccc(C#N)c(NCC2CC(C)(C)C2)c1 548693360 MVUVVONNOIQOEN-UHFFFAOYSA-N 256.349 3.609 30 20 CHED COCc1ccccc1/C=C(\C)CN1CCC(CC#N)CC1 552013044 QAPSRWGSWVOMER-DTQAZKPQSA-N 298.430 3.862 30 20 CHED Cc1cc(N(C)Cc2c(F)cccc2Cl)cc(C#N)n1 552912383 OABAIFPNKNYPQL-UHFFFAOYSA-N 289.741 3.691 30 20 CHED C=CCC(C)(C)C(=O)NCC1(O)CCC(C(C)(C)C)CC1 559910677 BKSREPJQEYSQIT-UHFFFAOYSA-N 295.467 3.672 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)NC1(c2cccc(C#N)c2)CC1 560842993 FWWJPRZKSVKLLH-GOEBONIOSA-N 296.414 3.880 30 20 CHED CC1(C)CCCN(C[C@@H]2C[C@@H]2c2ccccc2)[C@H]1C#N 565932139 QZLQTBMAHBDTLP-BBWFWOEESA-N 268.404 3.804 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)c1cccnc1C#N 577806382 ISEUWDISFMUGPY-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=CCCCCOc1ccc(NC(C)=O)cc1F 577999298 JCFOHBNBNZTBCU-UHFFFAOYSA-N 251.301 3.519 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)s1)c1cccc(C2CC2)c1 582827229 YRMWZWSJQIRKRR-LLVKDONJSA-N 296.395 3.988 30 20 CHED C=CCC[C@@H](NC[C@@H](CC(C)C)N(C)C)c1ccco1 583570169 GAHFEFUSKMULJJ-HZPDHXFCSA-N 278.440 3.853 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2cccc(F)c2F)c1 588386892 LDNMMHHWNYLKOR-FPLPWBNLSA-N 269.250 3.733 30 20 CHED CC(C)N(C)c1ccc(/C=C2\Cc3ccccc3C2=O)cn1 588578945 JENMOSFZWORSDX-MHWRWJLKSA-N 292.382 3.749 30 20 CHED Cc1cc(C(F)(F)F)ncc1NCc1cccc(C#N)c1 589597286 RGXAIRGMHKVGLM-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1F 590982077 LWMZVPXIUKOPCI-UONOGXRCSA-N 288.366 3.877 30 20 CHED C=C1CCN(C(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)CC1 591091473 IVPRHIGTBVPTRS-UKRRQHHQSA-N 273.376 3.514 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3CCCS3)no2)c1 591453933 PDVVDQMUOCOLCD-MJBXVCDLSA-N 297.383 3.780 30 20 CHED C[C@@H]1CC2(CCOCC2)CN1c1ccc(Cl)cc1C#N 591991336 DZKNGSDCCXOAJV-GFCCVEGCSA-N 290.794 3.607 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2cccc(C#N)c2)CC1 592571843 NUIFGASBZNTVER-AWEZNQCLSA-N 254.333 3.633 30 20 CHED N#CC1(Cc2nc(-c3cccc(F)c3)no2)CCCCC1 594732598 RULINJIBRYCYQR-UHFFFAOYSA-N 285.322 3.892 30 20 CHED N#CC1(Cc2nc(-c3ccccc3F)no2)CCCCC1 594734181 RKXHOSWHULSAGL-UHFFFAOYSA-N 285.322 3.892 30 20 CHED CCN(CCSc1ccc(C)c(C)c1)[C@@H](C)C#N 595817756 NETQABOGHYOGJX-AWEZNQCLSA-N 262.422 3.630 30 20 CHED COc1ccc(Br)c(OCC2(CC#N)CC2)c1 596272962 ZMNHMEDAGSWYAP-UHFFFAOYSA-N 296.164 3.530 30 20 CHED N#CCC1(CSCc2ccc(F)cc2F)CC1 596342917 ILKATAHBMWVXAJ-UHFFFAOYSA-N 253.317 3.892 30 20 CHED N#Cc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]32)c(Cl)c1 596796702 NEFVVBFFVBPWON-FZMZJTMJSA-N 289.766 3.618 30 20 CHED CC[C@H](CN1CCC[C@H](CC#N)C1)c1ccccc1 597175599 BSIOPNYHRZDGAA-HZPDHXFCSA-N 256.393 3.806 30 20 CHED Cc1ccc(NC(=O)CC2(C#N)CCCCC2)c(C)n1 597368554 FBHWSICYDSGCBG-UHFFFAOYSA-N 271.364 3.501 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc2ccn(C(F)F)c2c1 598062327 VMYOBUBBHVWUCB-OAHLLOKOSA-N 291.301 3.915 30 20 CHED C[C@@H](N[C@@H]1CCCc2scnc21)c1cccc(C#N)c1 599026433 APSSAUIDUAJLED-BXUZGUMPSA-N 283.400 3.743 30 20 CHED C=CCN(CCC#N)C(=O)CC(C1CCC1)C1CCC1 599962863 WAAFJEVFKPJPKO-UHFFFAOYSA-N 274.408 3.521 30 20 CHED CSc1ccc(F)cc1CNC[C@H](C)CCC#N 602559591 FUBQEVVELBFMAN-LLVKDONJSA-N 266.385 3.577 30 20 CHED CC(C)Oc1cccc(COc2ccc(C#N)cc2)c1 603743285 MECZOQLPFGVKAP-UHFFFAOYSA-N 267.328 3.924 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)ccc1F 606816852 RPSGWURMASLJNE-UHFFFAOYSA-N 263.356 3.953 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@@H](CC)C(C)C 609166451 BWSBEWNDGVLYGV-CQSZACIVSA-N 288.391 3.968 30 20 CHED C[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCCC1 610519855 YNFGKGZKGPXSES-AWEZNQCLSA-N 296.414 3.876 30 20 CHED CC(C)Oc1ccc(C(=O)N(C)c2ccccc2C#N)cc1 611071855 YTLVDJUJJHVGLM-UHFFFAOYSA-N 294.354 3.622 30 20 CHED CC(C)[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612095442 WFBMJRKUYNLJMS-WMZOPIPTSA-N 299.418 3.719 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CCCS2)n1 613429117 GKOZDDBFAFKEQK-LBPRGKRZSA-N 275.421 3.558 30 20 CHED C=CCCNC(=O)C(Cc1ccccc1)Cc1ccccc1 617618401 NUTJFFLLGDQFEP-UHFFFAOYSA-N 293.410 3.780 30 20 CHED C=CCC1(C(=O)Nc2ncc(F)cc2Cl)CCCC1 637434320 BYUJURKOGPRVDW-UHFFFAOYSA-N 282.746 3.949 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2ccsc2)C1 660438822 GCBHFRVCTGUEDA-UONOGXRCSA-N 292.448 3.677 30 20 CHED C=CCCN(C)Cc1cc(F)c(C(F)(F)F)cc1F 672554740 IODIOMFVYSXCOQ-UHFFFAOYSA-N 279.252 3.992 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1CCc2c(Cl)cccc21 678808945 BUSVTKMRVPICQA-AWEZNQCLSA-N 275.779 3.570 30 20 CHED C=C(C)COC(=O)C1(c2cccc(C)c2)CCCC1 726829685 RSTWSUGCYROJNE-UHFFFAOYSA-N 258.361 3.926 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(O)c(F)c2)c1 728438994 SWLWTZBARYNSEH-FNORWQNLSA-N 256.276 3.736 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3cccc(C)c3o2)c1 728481580 FKXPEMXJBUJCQH-UHFFFAOYSA-N 289.334 3.999 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(CC)s2)c1 728536871 JBGWDKMMCQYCAH-UHFFFAOYSA-N 283.396 3.959 30 20 CHED CC(=NNCCCc1ccccc1)c1sc(C)nc1C 729146411 VRXPLLAPPIFOCY-UHFFFAOYSA-N 287.432 3.706 30 20 CHED Cc1cccc2c1CCN(Cc1ccc(C#N)cc1F)C2 729479310 GKJSDHUHHRIGHM-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C#CC[C@H](OC(=O)c1ccc(C)c(Cl)c1)c1ccccn1 729798012 JNVWPRPRNXTAID-INIZCTEOSA-N 299.757 3.965 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)/C=C/C2CCCCC2)C1 735472530 SROPMGHCJLBSHG-NZZWAHBWSA-N 274.408 3.712 30 20 CHED c1ccc([C@@H]2CCCCC2=NNc2cccnn2)cc1 735974657 JRXSDZMJOISCDC-AWEZNQCLSA-N 266.348 3.602 30 20 CHED Oc1cccc(/C=N/Cc2ccccc2C(F)(F)F)c1O 745624818 OAOCYZZYIBHNHX-DJKKODMXSA-N 295.260 3.736 30 20 CHED CCCCNC(=S)N(CC(C)C)c1ccc(C#N)cc1 745689281 WQPNTSJJUVZGPU-UHFFFAOYSA-N 289.448 3.695 30 20 CHED C(=NNc1nc2ccccc2[nH]1)c1coc2ccccc12 746558004 FABWIOCCARFERL-UHFFFAOYSA-N 276.299 3.755 30 20 CHED CCCCCCCC(=O)Nc1cc(C#N)ccc1OC 747399247 PAXQCZOLUNEKOO-UHFFFAOYSA-N 274.364 3.866 30 20 CHED CC(C)Nc1cc(F)ccc1NC(=O)C#Cc1ccccc1 747400957 AQWKJVLWRWNJIQ-UHFFFAOYSA-N 296.345 3.636 30 20 CHED Clc1ccc(C=NNc2ccc3ccccc3n2)cn1 748779169 XFJQVCHWXQOUFX-UHFFFAOYSA-N 282.734 3.729 30 20 CHED O=C1/C(=C/c2ccc(F)cc2F)Cc2ccc(F)cc21 749003483 PLJASLCBMBGHNG-IZZDOVSWSA-N 274.241 3.926 30 20 CHED C[C@H]1CC(=NNc2cccnn2)C[C@H](c2ccccc2)C1 749859574 RCZSUASHDGGOLD-UKRRQHHQSA-N 280.375 3.848 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cccc(F)c2)co1 752888516 LYSHMORSTCLHPO-SREVYHEPSA-N 259.280 3.833 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1-n1cccc1 753616541 OQLPOFSMVFBZQP-AWEZNQCLSA-N 296.370 3.881 30 20 CHED C[C@H](Cc1ccccc1Cl)C(=O)Oc1ccc(C#N)cc1 754258179 DCULJRXXSCTPCW-GFCCVEGCSA-N 299.757 3.996 30 20 CHED CC1(C)CCC(=NNc2ccc(C(F)(F)F)nn2)CC1 754709078 MNYPXAUPFVMQIU-UHFFFAOYSA-N 286.301 3.864 30 20 CHED CC(=NNc1cc(C)ncn1)c1ccc(-c2ccccc2)o1 755893072 IAOYCGXNYSMIAC-UHFFFAOYSA-N 292.342 3.881 30 20 CHED CCC(=NNCc1cccc(Cl)c1)C1CCOCC1 756827259 LILBRNWJCQPOSZ-UHFFFAOYSA-N 280.799 3.622 30 20 CHED C=C[C@@H](C)NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 757004922 ULEXCRGJMOFDNY-PBQZMEPESA-N 283.293 3.799 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@@H](CCC)C1)c1ccccc1 757058794 IWUCPRYHRNBCQC-SJLPKXTDSA-N 298.430 3.973 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2cc(O)ccc2O)c1 757468241 QXNQTXZVFWWEFS-SOFGYWHQSA-N 298.338 3.781 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1cc(Cl)ccc1O 757468657 UUSYTRGRAUDDOX-HWKANZROSA-N 294.137 3.990 30 20 CHED C#CC[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 757576371 DIBVTPLXNZTOLS-GOSISDBHSA-N 295.357 3.639 30 20 CHED CCc1ccccc1NN=C(C)c1cc([N+](=O)[O-])ccc1O 758107412 NYEAPJICVPTIOE-UHFFFAOYSA-N 299.330 3.699 30 20 CHED CCC(=NNc1cccc(C#N)c1)c1ccc(N(C)C)cc1 759193225 HHWXKEXTNPEQKI-UHFFFAOYSA-N 292.386 3.850 30 20 CHED CCN(CC)c1ccc(/C=N/[C@@H](C)c2ccc[nH]2)c(O)c1 760227954 CFXBENNFIKJEOO-HCZVKUGISA-N 285.391 3.747 30 20 CHED CC#CCCOC(=O)C(C)(C)c1ccccc1Cl 760290259 RMYIFIQDXPXNEU-UHFFFAOYSA-N 264.752 3.574 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(F)(F)F)C1 761048695 GFXNYHNHVHEOLJ-MFKMUULPSA-N 268.282 3.503 30 20 CHED CCC(CC)[C@@H](C)C(=O)Oc1ccc(C#N)cc1F 761773237 QXBXVDPXJUYOFU-SNVBAGLBSA-N 263.312 3.675 30 20 CHED C[C@@H](/N=C\c1c(O)ccc2ccccc12)C1CCOCC1 761786517 QCKZFCQPGYTEQZ-CQLSMYGBSA-N 283.371 3.779 30 20 CHED N#CCCN(C(=O)C(F)=C1CCCC1)c1ccc(F)cc1 763046060 ZWGGJWCIJDGLJJ-UHFFFAOYSA-N 290.313 3.870 30 20 CHED CO[C@@H](C)C(C)=NNc1ccc(Br)c(C)c1 763161446 FRZDKSVUCMEQND-JTQLQIEISA-N 285.185 3.580 30 20 CHED C#CCN(CC)C(=O)C1(c2cccc(F)c2)CCCCC1 764212321 WSQRRAMPDZZJKL-UHFFFAOYSA-N 287.378 3.509 30 20 CHED C[C@H](CCc1ccccc1F)NCc1ccc(C#N)cc1 765015962 SXIXWSUBEYVMDA-CQSZACIVSA-N 282.362 3.808 30 20 CHED Cc1cc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)ccc1O 769611358 YULDFUXGGKXYME-VQHVLOKHSA-N 298.386 3.628 30 20 CHED Cc1nc(C=NNc2c(F)cccc2Cl)cs1 769827123 OEEIOYQQVCBPAB-UHFFFAOYSA-N 269.732 3.690 30 20 CHED O=C(O)c1csc(C=NNc2c(F)cccc2Cl)c1 769829134 BCKBHGHJEUDFCO-UHFFFAOYSA-N 298.726 3.685 30 20 CHED CCO[C@@H]1CC(=NNc2c(C)cccc2F)C1(C)C 769840858 OAVHXIPPWCEJHW-CYBMUJFWSA-N 264.344 3.737 30 20 CHED C#CCCCCc1nc(C(C)(C)c2cccc(F)c2)no1 771506568 MEVRQVHLRUKRSH-UHFFFAOYSA-N 286.350 3.881 30 20 CHED C#Cc1cccc(N(C(=O)C=C2CCSCC2)C(C)C)c1 772253473 ZDLKQULRJBYROT-UHFFFAOYSA-N 299.439 3.863 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1c(F)cccc1Cl)C1CC1 773010872 HGSUVFLPJBDPHB-CABCVRRESA-N 297.801 3.847 30 20 CHED CCC(=NOC1CCOCC1)c1cc(Cl)ccc1OC 774452666 MFKNZIUSQVHPLV-UHFFFAOYSA-N 297.782 3.658 30 20 CHED C(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1C1CC1 774595330 BNPPRKNNSCKAKW-RVSPLBMKSA-N 254.377 3.676 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCO[C@H](C#N)C1 775162670 XVIVXRLCJKFRTH-JKSUJKDBSA-N 294.439 3.514 30 20 CHED CC[C@H](NCC1(C#N)CC1)c1ccc(Br)cc1 776009694 ZSYSVXQGTICAEV-ZDUSSCGKSA-N 293.208 3.794 30 20 CHED COc1ccc(N(C)Cc2ccc(C#N)cc2C)cc1OC 776789174 ZMRWXDDYNHBSHI-UHFFFAOYSA-N 296.370 3.520 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2cnn(CC(C)C)c2)cc1 777273724 DJSUIKHRZQOPLT-OAHLLOKOSA-N 297.402 3.724 30 20 CHED C[C@@H](C#N)Oc1ccc(C=NOC2CCCCC2)cc1 777458627 IDKJOMMSYKYKQS-ZDUSSCGKSA-N 272.348 3.661 30 20 CHED C=CC[C@H](C(=O)NCCNc1ccccc1)c1ccccc1 778869905 JLHMABVLAMZXNY-SFHVURJKSA-N 294.398 3.575 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC)c(Cl)c1 779715617 NDLYHNGSYRSBAW-UHFFFAOYSA-N 279.767 3.871 30 20 CHED COc1cccc(NN=C(C)[C@H](C)c2ccccc2)n1 779817523 QRSRRMAQVPNEMV-LBPRGKRZSA-N 269.348 3.682 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H](C(C)C)CC1 779916295 VJCRGXIGZRKPON-INIZCTEOSA-N 263.425 3.855 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@H]1c1cccc(OCC)c1 779951370 SJEGCZIJDUMYQC-ROUUACIJSA-N 299.414 3.641 30 20 CHED CC(CCc1ccc(F)cc1)=NN[C@H]1CCOC(C)(C)C1 780249732 IJMAFPOJSZDALD-INIZCTEOSA-N 292.398 3.681 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1ccc(Cl)cn1 781603981 ZVVXVHPPWNVWBL-JTQLQIEISA-N 253.729 3.696 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCc1cc(F)cc(F)c1 782250059 RHYHHESMQAZACG-WAYWQWQTSA-N 299.276 3.593 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NNCc2ccccc2)C1 783509356 LCFAPGAZPDLJIO-GFCCVEGCSA-N 270.298 3.885 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cccc(F)c1F 785753151 IYPLTAHEJGCICO-CQSZACIVSA-N 254.276 3.610 30 20 CHED C#CCC1(C(=O)N[C@@H](C)CCSCC)CCCCC1 788226668 CPNRVLCPGOGSCF-AWEZNQCLSA-N 281.465 3.608 30 20 CHED Clc1ccccc1CNN=Cc1cc2ccccc2[nH]1 788425939 LNEBEWPAECSRIM-UHFFFAOYSA-N 283.762 3.945 30 20 CHED c1ccc2c(NN=C3CCC34CCCC4)nncc2c1 788698530 FWCSFQBOFJMNSK-UHFFFAOYSA-N 266.348 3.752 30 20 CHED CC[C@@H](C)NN=Cc1ccc(-c2cccc(F)c2F)o1 790184210 ZNMCUSQOLHYIQJ-SNVBAGLBSA-N 278.302 3.947 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1sccc1Cl 790309190 YGNUGTHIHZMKDY-UHFFFAOYSA-N 299.714 3.895 30 20 CHED C#C[C@H](CCC)NC(=O)CCCc1cc(C)sc1C 791205684 VNBBESDAXCFMCT-OAHLLOKOSA-N 277.433 3.606 30 20 CHED O=C(/C=C\c1cccc(Cl)c1Cl)c1ccnc(O)c1 791433763 SJVVAHGFJJIWEB-PLNGDYQASA-N 294.137 3.990 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1cccc(C(F)F)c1 791761805 GDZOQINYEGFIRZ-LLVKDONJSA-N 284.302 3.649 30 20 CHED C#CCCCC(=O)N(CCC(C)C)c1ccc(OC)cc1 794197791 CRVFTRBVPYLLSW-UHFFFAOYSA-N 287.403 3.878 30 20 CHED C[C@@H]1CSCC1=NNc1cccc(C(F)(F)F)c1 794855569 VEFVIZZUAYFVJG-MRVPVSSYSA-N 274.311 3.856 30 20 CHED FCC[C@H]1CCCC1=NNc1nc(-c2ccccc2)no1 794906674 WTNHCDLPACLSCO-LLVKDONJSA-N 288.326 3.664 30 20 CHED CN(C)c1ccccc1CNN=Cc1ccc(Cl)s1 794957172 ONWIPXRRJAQAAL-UHFFFAOYSA-N 293.823 3.591 30 20 CHED CCCCCOc1ccc(C(C)=NN(C)CCOC)cc1 794969442 FREOMSURILIKEW-UHFFFAOYSA-N 292.423 3.558 30 20 CHED C=CCc1ccc(OC(=O)[C@H]2CCC(F)(F)C2)c(OC)c1 796531393 PIGKGODXHBJPHD-LBPRGKRZSA-N 296.313 3.765 30 20 CHED C=CCOCCOC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 797323633 LOUMDEDBYVMQAC-OAHLLOKOSA-N 296.794 3.825 30 20 CHED COc1cccc(NN=C2CSc3cc(C)ccc32)c1 797787143 CSSFYLPRDPFFLO-UHFFFAOYSA-N 284.384 3.926 30 20 CHED C=CC[C@H](CC)NC(=S)NCCSc1ccccc1 798375945 PEJZZVVFUCAWHQ-ZDUSSCGKSA-N 294.489 3.598 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(C)cc(C)n2)cc1 801140959 DZZMZBQIORFJHJ-UHFFFAOYSA-N 293.370 3.567 30 20 CHED N#CC1(C(=O)OCc2ccc3occc3c2)CCCC1 802850929 JPUXBJYADDFKRS-UHFFFAOYSA-N 269.300 3.560 30 20 CHED Cc1ccc(C(=O)N2CCc3cc(Cl)ccc32)cc1C#N 803483139 ITUBEYIDTCFTJR-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CC(C)[C@H](C(=O)OCCCSCC#N)c1ccccc1 805480898 DAMNUUHDEWCTOH-HNNXBMFYSA-N 291.416 3.616 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CC[C@H]2CC)c1 806147188 UVZAJXYQKYHVEL-INMHGKMJSA-N 272.392 3.646 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)cc1 806566117 YQBPTNMAAGALGF-JXMROGBWSA-N 280.371 3.979 30 20 CHED CC(C)(O)c1ccc(C=NN[C@H]2CCCCC2(C)C)cc1 807986241 ZJMGYKSVXJVJCA-INIZCTEOSA-N 288.435 3.806 30 20 CHED N#Cc1ccc(F)c(COC(=O)C2(C(F)F)CCCC2)c1 808482837 CENICHZYSZVNSU-UHFFFAOYSA-N 297.276 3.566 30 20 CHED Cc1cc(OC(=O)Cc2cccs2)c(C)c(C)c1C#N 809033690 WTFRREHWHQXEOT-UHFFFAOYSA-N 285.368 3.693 30 20 CHED C[C@@H]1/C(=C/c2ccc3c(c2)ncn3C)C(=O)c2ccccc21 809159075 HSHITFHORBBHEN-PFSWGADMSA-N 288.350 3.957 30 20 CHED C=CCCCCOC(=O)[C@H](C)CC(=O)c1ccccc1F 811011813 NIRZOOBAYJSJDW-CYBMUJFWSA-N 292.350 3.934 30 20 CHED CC(C)OCCON=Cc1cc(Cl)ccc1Cl 812238922 HPLAVBIMQRDVBA-UHFFFAOYSA-N 276.163 3.769 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H](C)CCCCC 814134477 JHBZZKOZISKNCX-AWEZNQCLSA-N 250.386 3.521 30 20 CHED C#CCOC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 814493109 JWNHAEWYPPRHAP-UHFFFAOYSA-N 294.228 3.755 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1CC2CCC1CC2 814494149 SORBFZYYOZXLDP-JXQTWKCFSA-N 263.381 3.686 30 20 CHED Cc1c(C=NNc2ccc(C#N)cc2)n(C)c2ccccc12 814802926 CLAAQLZUVWJIIQ-UHFFFAOYSA-N 288.354 3.804 30 20 CHED COc1ccc(NN=C2CC[C@H]2C2CCC2)c([N+](=O)[O-])c1 814882915 RTWURDNMKQUPBJ-LBPRGKRZSA-N 289.335 3.581 30 20 CHED Cc1sccc1C=NNc1ccnc(Br)c1 814905763 RCEICYRMDJXIBZ-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1ccc2oncc2c1 814916836 FPZOUBIOGZULKL-OAHLLOKOSA-N 271.364 3.720 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccco1 814931101 ILCYXIQARDOEAZ-UHFFFAOYSA-N 273.292 3.722 30 20 CHED CC[C@@H](C)CON=Cc1ncc(C(C)(C)C)s1 814939452 RDQNOGGZPUKJBO-SNVBAGLBSA-N 254.399 3.837 30 20 CHED CCCCCCCCCNC1C[C@@H]2CC[C@H](C1)N2 817898111 ZXJRDSNSGRIMES-XYPWUTKMSA-N 252.446 3.610 30 20 CHED C=CCC1(C(=O)OC[C@]2(C)C[C@]2(F)Cl)CCC1 821895320 GYBIJMNNGLZCRR-WCQYABFASA-N 260.736 3.591 30 20 CHED C[C@@H](Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@H]1CCOC1 824723044 ZSHHGVCJTYGCPF-OLZOCXBDSA-N 288.391 3.572 30 20 CHED CC(C)C#CC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 831800295 SXRXQCJXTSJZAR-KRWDZBQOSA-N 285.362 3.537 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2)cc1C 832280350 BJNUBNKNWLIQJB-YCRREMRBSA-N 296.322 3.598 30 20 CHED COc1cccc(C)c1C=NNc1nccnc1C1CCC1 834979652 LPMMWNPIULBRHU-UHFFFAOYSA-N 296.374 3.507 30 20 CHED C=CC(C)(C)COC(=O)c1ccc2ccccc2n1 835724186 ILZLQKFMDBAIFO-UHFFFAOYSA-N 255.317 3.604 30 20 CHED C=CCSc1ccccc1C(=O)O[C@@H]1CCOC[C@H]1C 835772684 MGRSZUJQLYKPOW-TZMCWYRMSA-N 292.400 3.547 30 20 CHED CCCCOc1ccccc1NC(=O)C#CC(C)(C)C 837356600 GRWHSFMBKYXVSC-UHFFFAOYSA-N 273.376 3.854 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1ncc(-c2ccccc2)o1 837430839 GMIUTMJLQBRTEM-CYBMUJFWSA-N 296.370 3.568 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCc2c[nH]c3ccccc23)C1 839041941 FPMSMFVTNXUTSW-ZFWWWQNUSA-N 296.370 3.726 30 20 CHED CC[C@@H]1CCCC[C@@H]1OCC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839048911 DBSCDEVSJNLAHG-FPCVCCKLSA-N 293.407 3.597 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Oc1ccc(C#N)cc1F 839304513 FDUBSGQZWMPXOF-VIFPVBQESA-N 289.228 3.581 30 20 CHED Cc1cc(OC(=O)C[C@]2(C)CC2(Cl)Cl)ccc1C#N 839340552 YYFUDUAIUUZSJD-CYBMUJFWSA-N 298.169 3.746 30 20 CHED Cc1cc(/C=C2/CCc3ccc(Cl)cc3C2=O)nn1C 840720074 LEDHLWOZGLHOIE-WQLSENKSSA-N 286.762 3.594 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C)cc1SC 840857369 QXCIKUTZVWXRRF-UHFFFAOYSA-N 266.435 3.579 30 20 CHED Cc1csc([C@H](C#N)C(=O)Cc2cccc(C3CC3)c2)n1 842280268 AIGHGRGHIKDYIZ-OAHLLOKOSA-N 296.395 3.748 30 20 CHED C#C[C@H](OC(=O)c1csc(CC(C)C)n1)c1ccccc1 842364645 DYMAZKJPACMCAH-HNNXBMFYSA-N 299.395 3.873 30 20 CHED C=CC[C@H](OC(=O)CCc1ccnc(C)n1)c1ccccc1 842766416 PWPUZGRPUWDOQN-KRWDZBQOSA-N 296.370 3.578 30 20 CHED C#C[C@@H](OC(=O)C1CC2(CCC2)C1)c1ccc(F)cc1 842822101 JLJLUJKWSKKTBP-OAHLLOKOSA-N 272.319 3.624 30 20 CHED C=C[C@@H](C)ON=Cc1nc2cc(C(F)(F)F)ccc2n1C 844620890 AQMNSICPBDRFHL-SECBINFHSA-N 297.280 3.517 30 20 CHED Cc1c(NN=C2CCCC2(C)C)cccc1C(=O)O 844624950 UMEOVRHIKCSSDP-UHFFFAOYSA-N 260.337 3.671 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@H](C)n1ccnc1 847745597 YICBKLVXEXEBIO-FXUDXRNXSA-N 290.407 3.758 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ncc(Br)cn1 848420815 DAXPFXADOKMBED-VIFPVBQESA-N 299.216 3.853 30 20 CHED CC(C)CCC[C@H](C)NC(=N)NCC(C)(C)CCC#N 849028930 OWOADPKRKREDIE-AWEZNQCLSA-N 280.460 3.645 30 20 CHED C=CCCn1cc(/C=C\C(=O)c2cc(C)c(C)cc2C)nn1 849242567 HYFYRAGRODGKFQ-FPLPWBNLSA-N 295.386 3.676 30 20 CHED N#CC1(CC(=O)OCc2csc(Cl)n2)CCCCC1 849906970 NCWPKKJHXGTZMW-UHFFFAOYSA-N 298.795 3.704 30 20 CHED C=CC(C)(C)CCOC(=O)c1cn(C(C)C)nc1C 851300492 IQQMAVTVYGRZKT-UHFFFAOYSA-N 264.369 3.532 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(C)cc1OC 853004149 HMAKYUIOJKGXEY-VURMDHGXSA-N 284.359 3.506 30 20 CHED C=CCCNC(=O)Nc1ccc(N2CCC(C)CC2)cc1 854249525 GNFDKAFJIPJDJD-UHFFFAOYSA-N 287.407 3.621 30 20 CHED CCCCCCCNC(=O)N[C@H](C)c1c(C)noc1C 858111747 RHGAYAMWWIDBAC-LLVKDONJSA-N 281.400 3.622 30 20 CHED C#CCCOC(=O)N[C@H](C)c1csc2ccccc12 858950192 HQILSNAMVKUIGJ-LLVKDONJSA-N 273.357 3.712 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](CC)c1nc(C)cs1 878740569 QQDMBGSYOFZOLQ-NSHDSACASA-N 266.410 3.621 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C)c(N2CCCC2)c1 881004967 DRHDLYVDIHYPCV-AWEZNQCLSA-N 287.407 3.681 30 20 CHED C=C1CCC(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)CC1 896741564 KEXBIRFNXXHUNX-PBHICJAKSA-N 269.388 3.952 30 20 CHED O=C(CCC(F)(F)F)N(O)Cc1cccc2ccccc12 901370718 MKVIRHCYPYLHCP-UHFFFAOYSA-N 297.276 3.900 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(O)Cc1ccc(F)cc1 901372149 SEDIUJUDJXHOEK-LBPRGKRZSA-N 279.355 3.760 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cncn1C(C)C 901430165 IWPMEQYKCRKIDK-HJWRWDBZSA-N 254.333 3.669 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C(=O)O)c1ccccc1F 901749598 NNOUKTQSHQHSHL-SWLSCSKDSA-N 279.355 3.676 30 20 CHED C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1F 903335336 NZKUYMTXDDXWFM-SGTLLEGYSA-N 295.361 3.894 30 20 CHED CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc(F)ccc1OC 903370811 KOQOWYBTKNXJED-KYOSRNDESA-N 276.355 3.567 30 20 CHED CCO[C@@H](c1noc(/C=C/c2ccccc2C#N)n1)C(C)C 904114904 FYFGKRYXMJJBCY-ZNFPLGDCSA-N 297.358 3.845 30 20 CHED N#Cc1sccc1-c1cccc(C2(C#N)CCOCC2)c1 904895519 RFGMXMQUYNQTES-UHFFFAOYSA-N 294.379 3.859 30 20 CHED CC(C)C1(C)CCN(C(=O)c2ccsc2C#N)CC1 907527124 UZUJODSZZRLFIB-UHFFFAOYSA-N 276.405 3.518 30 20 CHED CCCCCCCCC(=O)N[C@H](C)c1c(C)n[nH]c1C 910089060 VATNFTIDJFCHEN-GFCCVEGCSA-N 279.428 3.954 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2nc(CC)cs2)CC1 910716310 YBNPBYFEFBHMPS-NSHDSACASA-N 278.421 3.629 30 20 CHED Cc1cccc(OCCC(=O)Oc2ccc(C#N)cc2)c1C 914456394 FZDCRVWTWCHUEM-UHFFFAOYSA-N 295.338 3.550 30 20 CHED CCOc1cccc(C=NNc2ccccc2F)c1 915958078 LJQDFPFCJPXIKR-UHFFFAOYSA-N 258.296 3.670 30 20 CHED CCC(Cc1ccccc1)=NNc1nc2ccccc2n1C 915968546 ZARKMPONLJMRAR-UHFFFAOYSA-N 292.386 3.994 30 20 CHED Cc1nc(C#N)c(NN=Cc2ccc(Cl)cc2Cl)o1 917555859 VYVUAFOCCYKTLR-UHFFFAOYSA-N 295.129 3.608 30 20 CHED C=CCN(C(=S)Nc1ccc(CC)cc1)C(C)C 917589394 VEIUUDUMPFNEJT-UHFFFAOYSA-N 262.422 3.842 30 20 CHED CCCCCCC(=O)OCc1cc(C#N)ccc1F 919231670 KZTXTYOSZSENTB-UHFFFAOYSA-N 263.312 3.711 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](c1ccccn1)C1CC1 921818397 ZJRMXJACSTYWBO-XJKSGUPXSA-N 287.407 3.577 30 20 CHED C=C1CN(C(=O)Nc2cc(Cl)ccc2OCCC)C1 929813313 QQEKEHNKYHDHAT-UHFFFAOYSA-N 280.755 3.533 30 20 CHED CC1(C)CN(CCCCC2(C#N)CCC2)[C@H]1[C@H]1CCCO1 930508043 MAMKTRHKGLAKQP-CVEARBPZSA-N 290.451 3.740 30 20 CHED N#C[C@@H]1CCCN(C(=O)Nc2cccc(C3CCC3)c2)C1 931504923 KXRYWRARODFKJG-ZDUSSCGKSA-N 283.375 3.722 30 20 CHED C[C@@H](CN(C)C(=O)Nc1sccc1C#N)c1ccccc1 931848242 WDUVODIQIZTLFW-LBPRGKRZSA-N 299.399 3.887 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 935301176 BVBQQPRXMYUXKJ-TUAOUCFPSA-N 277.330 3.778 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnc(CC(C)C)s1 935697767 MTDKVRYDGXDAGG-LBPRGKRZSA-N 278.421 3.522 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(CC(F)(F)F)CC1 935884274 WZJMEEOSPBTNKP-LLVKDONJSA-N 277.330 3.780 30 20 CHED FC(F)(F)c1ccc(C#Cc2nnc(C3CCC3)o2)cc1 1118375792 YOMSQYQQYVAEBV-UHFFFAOYSA-N 292.260 3.756 30 20 CHED N#CC[C@@H](OC(=O)c1ccoc1C1CC1)c1ccco1 1123370182 RUYCRDWMEDLJCL-CYBMUJFWSA-N 271.272 3.562 30 20 CHED CN(Cc1ccccc1Cl)C(=O)c1csc(C#N)c1 1124228653 SSBCKIFGMZDFBY-UHFFFAOYSA-N 290.775 3.545 30 20 CHED Cc1cc(NC(=O)[C@H](C)CCC(C)(C)C)ncc1C#N 1130503947 LLXQOWUFJGHZLW-LLVKDONJSA-N 273.380 3.663 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2coc3ccccc23)n1 1131018156 DVYSOEGONQPWBE-UHFFFAOYSA-N 291.310 3.569 30 20 CHED Cc1cc2cc(Nc3ncc(C#N)cc3F)ccc2[nH]1 1162132132 GKGAVUJFWFKMTP-UHFFFAOYSA-N 266.279 3.626 30 20 CHED CC(C)[C@H](C)N(C)c1nc(C(C)(C)C)ccc1C#N 1162285277 IHCSULHMAWYAIN-LBPRGKRZSA-N 259.397 3.731 30 20 CHED Cc1nc(Nc2ccc(Cl)c(N(C)C)c2)ccc1C#N 1164191115 XYKOWPBPCZMWCX-UHFFFAOYSA-N 286.766 3.725 30 20 CHED N#Cc1cc(F)c(NC/C=C/Cl)cc1Br 1164303035 NQECHMNJNABHCZ-OWOJBTEDSA-N 289.535 3.624 30 20 CHED N#Cc1cncc(NC[C@@H]2CCCC[C@@H]2c2ccccc2)n1 1186450841 GCVUPOFZCUOWFG-DOTOQJQBSA-N 292.386 3.734 30 20 CHED C[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1F 1272973001 FVOWXFDYDMWIOX-LBPRGKRZSA-N 282.318 3.634 30 20 CHED Cc1ncc(C=NNc2ccc(C)c(Cl)c2)s1 1317944051 JXHRUTJDXYYINS-UHFFFAOYSA-N 265.769 3.859 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(OC(C)C)c(Cl)c1 1321758966 RQADBXIDTVXPDA-OCCSQVGLSA-N 297.826 3.979 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC#Cc1ccccc1 1323857483 LBNDMBQMPVTHMI-UHFFFAOYSA-N 289.378 3.643 30 20 CHED CSc1ccc(CNc2ccc(OCC#N)cc2)s1 1324159773 YLQFZCIXQTXKEE-UHFFFAOYSA-N 290.413 3.984 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NC(=O)c2csc(C#N)c2)c1 1324774077 FYWVOOZRBZUQAX-CYBMUJFWSA-N 298.411 3.598 30 20 CHED COc1ccccc1C1(NCCCC(C)(C)C#N)CCC1 1324892008 UABDEOLJSNLBNN-UHFFFAOYSA-N 286.419 3.994 30 20 CHED N#CC1(C(=O)OCCSc2cccc(Cl)c2)CCC1 1330200140 SOQLWYJQZUOHBX-UHFFFAOYSA-N 295.791 3.669 30 20 CHED CC[C@H](NCc1cnc(C)s1)c1cccc(C#N)c1 1331965549 QGNSFVDVBHCHFC-HNNXBMFYSA-N 271.389 3.564 30 20 CHED C=C[C@H]1CCCCN1c1ccc(-c2ccccc2OC)nn1 1339692512 POPKLSVWUOYPTE-AWEZNQCLSA-N 295.386 3.697 30 20 CHED CCCCSCCc1nnc(-c2ccc(C#N)cc2)o1 1341531303 KIHPSCYGMUGNIZ-UHFFFAOYSA-N 287.388 3.684 30 20 CHED CC[C@H](Nc1nccc(C)c1C#N)c1ccc(F)cc1 1342213801 XNDOKERUZIHSFH-HNNXBMFYSA-N 269.323 3.964 30 20 CHED C[C@@]1(C(=O)O[C@@H](CC#N)c2ccco2)CCc2ccccc21 1345546823 GNUZRJCETSZIGX-FUHWJXTLSA-N 295.338 3.682 30 20 CHED Cc1cccc([C@@H](C)C(=O)[C@@H](C#N)c2cccc(F)n2)c1 1347124762 RQAOAJXUZJBOBA-OCCSQVGLSA-N 282.318 3.509 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H](F)C2)cc1 1349314447 SZADMSISPVHASE-NUEKZKHPSA-N 275.367 3.630 30 20 CHED CN(C(=O)[C@H](CC#N)c1ccccc1)C1CCCCCC1 1352193049 VOZOSAYSSYCEBO-QGZVFWFLSA-N 284.403 3.865 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2ccc(C#N)cc2F)cc1 1355564806 CLFZQXMWIXZLMC-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED CCC[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C1CCC1 1465521004 VGECKRNQCHXUCH-HNNXBMFYSA-N 289.354 3.788 30 20 CHED C[C@H](OC(=O)c1cc(C(C)(C)C)on1)c1cccc(C#N)c1 1518184590 RABTXIVNLSITCD-NSHDSACASA-N 298.342 3.762 30 20 CHED C=C(C)Cn1c([C@@H]2CC=CCC2)nnc1N1CC[C@H]2C[C@@H]2C1 1524068295 ROVRZMVPOIITMG-OWCLPIDISA-N 298.434 3.524 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1526782537 YVJHOABLSZTPSJ-HZPDHXFCSA-N 284.403 3.578 30 20 CHED CC[C@H](CC(=O)Nc1nn(C(C)(C)C)cc1C#N)C(C)C 1539971209 YGFKQZFJOCMIHB-GFCCVEGCSA-N 290.411 3.521 30 20 CHED CC[C@H](C)CN(C)c1nc(C(C)(C)C)ccc1C#N 1559106000 JNWKICLFYLNOIK-LBPRGKRZSA-N 259.397 3.733 30 20 CHED N#Cc1c[nH]ccc1=NC1CCC2(CCCCC2)CC1 1559166429 LOULEPGQJUAGRX-UHFFFAOYSA-N 269.392 3.680 30 20 CHED C=CC[C@@H](N[C@@H](C)CC(C)(C)CC(=O)O)c1ccncc1 1588746143 QDLKYRYETUJDCD-DZGCQCFKSA-N 290.407 3.568 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@H](C)C[C@@H]1CC 1593808180 PQTWCSIQCBMUSA-YPMHNXCESA-N 296.846 3.779 30 20 CHED CCCC[C@@H](SCc1ccc(F)c(C#N)c1)C(=O)O 1595657600 OIEXMYCDKUJYDH-CYBMUJFWSA-N 281.352 3.574 30 20 CHED CC(C)C(CN1CCN(c2ccc(C#N)cc2)CC1)C(C)C 1621483407 BYURZKMZBMINQE-UHFFFAOYSA-N 299.462 3.608 30 20 CHED COc1cccc([C@H](C)Sc2ncc(C#N)cc2F)c1 1642417238 NJOUXHZZYUCNRS-JTQLQIEISA-N 288.347 3.954 30 20 CHED C[C@@H](NCc1cc(C#N)ccn1)c1c(F)cccc1Cl 1642439617 AQSJCDIITWNSDC-SNVBAGLBSA-N 289.741 3.597 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2cc(C)cc(C#N)c2)[C@@H]1C 1672285281 LCSSIAPKVPURNG-TZMCWYRMSA-N 271.364 3.519 30 20 CHED Cc1c(NN=C[C@H]2C[C@@H]2c2ccccc2)cccc1C(=O)O 1776087524 HXMVLLBBGISYFM-GDBMZVCRSA-N 294.354 3.895 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2ccc(CC(=O)O)cc2)c1 1776133710 MKENYGKTEKDDFG-MDZDMXLPSA-N 294.350 3.827 30 20 CHED C=CCN(Cc1ccccc1F)Cc1ccccc1C(=O)O 1776181103 SLFGRMMXLPXJJD-UHFFFAOYSA-N 299.345 3.712 30 20 CHED C=CCc1ccccc1CNc1ccc(CC(=O)O)cc1 1776188690 UPHGEJQPSLNQRZ-UHFFFAOYSA-N 281.355 3.654 30 20 CHED N#Cc1cccnc1Sc1ccc(Br)cc1 179935 WNMWXYZVKWXJGR-UHFFFAOYSA-N 291.173 3.867 30 20 CHED C[C@@H](CCc1ccccc1)NCc1ccc(C#N)cc1 20138464 QHILBHXUTCHQHG-HNNXBMFYSA-N 264.372 3.669 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2cccs2)c1 33472234 YYFBJAFPDJWVSF-SREVYHEPSA-N 274.341 3.661 30 20 CHED CCCOc1cccc(NCc2ccc(C#N)cc2)c1 35255753 ZBPYVINWWFLMPB-UHFFFAOYSA-N 266.344 3.959 30 20 CHED C[C@@H](CCc1ccc(O)cc1)Nc1ccc(CC#N)cc1 37071490 AZWJWKQXNASJAM-AWEZNQCLSA-N 280.371 3.891 30 20 CHED CCOc1cc(C#N)ccc1OCC1CCCCC1 42273591 LTHHYLKBHAVLDJ-UHFFFAOYSA-N 259.349 3.916 30 20 CHED Cc1ccccc1[C@@H](C)NCc1cc(C#N)ccc1F 42335693 WELUVTQFNPAXQZ-CYBMUJFWSA-N 268.335 3.857 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1cccc(O)c1 44025206 XHSWUNIASMYWHS-QPJJXVBHSA-N 260.239 3.567 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1cccc(F)c1 48984670 VPAGCZZTUCDKGC-FPLPWBNLSA-N 272.323 3.742 30 20 CHED CCc1cccc(CC)c1NC(=O)[C@@H](C)SCCC#N 58256479 WGBHDODDXUOGDW-GFCCVEGCSA-N 290.432 3.785 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](C(=O)OCC)C1 59253096 ASGDCVWIXKFMMM-OAHLLOKOSA-N 297.439 3.539 30 20 CHED C=C(C)CNC(=S)Nc1ccc(N(C)C(C)C)c(F)c1 60432272 JZBAUUHNEZWDFC-UHFFFAOYSA-N 295.427 3.533 30 20 CHED C=CCN(C(=O)c1ccc(OCC)cc1)c1ccccc1 60524995 OGHDSZAIQXMUBM-UHFFFAOYSA-N 281.355 3.918 30 20 CHED Cc1ccccc1CN(C)c1c(F)cc(C#N)cc1F 63507949 RUPLWVCSKNRZJN-UHFFFAOYSA-N 272.298 3.781 30 20 CHED C#CCOc1ccccc1CNCc1ccc(SC)cc1 67251374 XWPXTOCPHFSGFW-UHFFFAOYSA-N 297.423 3.710 30 20 CHED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(C#N)cc1 67351068 RXDAONFCTMOKGS-SNVBAGLBSA-N 282.734 3.651 30 20 CHED C#CCSc1nnc(-c2ccncc2)n1C1CCCCC1 71258091 HWXHEWSSUFNATE-UHFFFAOYSA-N 298.415 3.571 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@H](C)c2cccc(C#N)c2)c1 75276251 OEUCWVQCODKJIX-LSDHHAIUSA-N 292.382 3.848 30 20 CHED CC(C)[C@H](C)CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 75299658 AFSIUHHBVLBKOD-NJAFHUGGSA-N 298.430 3.967 30 20 CHED N#Cc1ccc(Cl)cc1NCC[C@@H](O)c1ccccc1 78519084 TWMYYHZQLZZSRQ-MRXNPFEDSA-N 286.762 3.747 30 20 CHED CC(C)[C@H]1CCCN(CCOc2cccc(C#N)c2)CC1 79378640 QWFAFHHFHBZTAC-KRWDZBQOSA-N 286.419 3.695 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1ccc(F)cc1Cl 80377067 JSDNYPFBSDVCGI-NSHDSACASA-N 299.773 3.639 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCO[C@@H](C)CC(C)C 87209617 OGNOSBMZVAWPME-AWEZNQCLSA-N 288.391 3.647 30 20 CHED C=C(C)CN1CCC(N[C@@H](c2ccccc2)C2CC2)CC1 91334286 XRCXZNVUWQZSLV-IBGZPJMESA-N 284.447 3.768 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cn(C)nc1C(C)(C)C)C2 93901954 XWUGRCDTKITHFZ-UVTDQMKNSA-N 294.398 3.848 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)SCCCC)c1 103029973 DNCFVFAFVYAOKH-ZDUSSCGKSA-N 275.417 3.553 30 20 CHED O=C(/C=C\c1csnn1)c1cc(Cl)ccc1Cl 104300754 HMVNHCYMYDBEIQ-RQOWECAXSA-N 285.155 3.741 30 20 CHED N#Cc1cccc(C[S@@](=O)c2ccc(F)c(Cl)c2)c1 108020281 GKYWHFNUEGQTGZ-IBGZPJMESA-N 293.750 3.659 30 20 CHED C=CCOc1ccccc1CNC(=O)N(CC)CCCC 111514459 IIEAYFZKFHWAQV-UHFFFAOYSA-N 290.407 3.583 30 20 CHED CC(C)[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1 112675898 OHJDFOAJDBOORO-IAGOWNOFSA-N 256.393 3.863 30 20 CHED CC(C)n1c([C@@H]2CCCN(CCC#N)C2)nc2ccccc21 114473032 PTWJQIKJRVNVGT-OAHLLOKOSA-N 296.418 3.710 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2ccccc2c1 116996260 QFBBRGFLZCVDAT-GFCCVEGCSA-N 254.333 3.926 30 20 CHED C=C[C@H](C)N[C@H](C)c1cccc(-c2ccncc2)c1 119370263 YLWBQWVBGJQLAD-UONOGXRCSA-N 252.361 3.974 30 20 CHED C#CCCCCC(=O)Nc1ccc2nc(C)sc2c1 119477079 YDDWAFPMLCEKFV-UHFFFAOYSA-N 272.373 3.737 30 20 CHED COc1ccccc1[C@H](C)NCc1cc(C#N)ccc1F 120096559 ALRYXVWKRSZFSY-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=C[C@H](CC(=O)Nc1ccncc1F)c1ccccc1 123158462 CFLAQSGDTRBDJX-GFCCVEGCSA-N 270.307 3.519 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2C[C@@]2(C)CC)s1 123498547 PCAUZHJHDNBDJL-BXUZGUMPSA-N 262.378 3.557 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)cc(Cl)c2)c1 127765585 LKAUYSKVVSFGNH-UHFFFAOYSA-N 269.731 3.882 30 20 CHED N#CC1(NC(=O)CCCc2csc3ccccc23)CCC1 128192187 DKGHEDNULHUKTI-UHFFFAOYSA-N 298.411 3.786 30 20 CHED Cc1ccc(CS(=O)(=O)CCCC(C)(C)C#N)cc1C 128775479 LKDCWACUNPSAID-UHFFFAOYSA-N 293.432 3.548 30 20 CHED CCCN(CC#N)C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 129937816 CJNJHFWWMIVKLM-IAGOWNOFSA-N 284.403 3.676 30 20 CHED Cc1cc(F)ccc1CN(C)Cc1cccc(C#N)c1 130768795 JLOZZPVSNDWCPK-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C1CCC1 131305329 FRDJJJDGPWZPDU-LBPRGKRZSA-N 278.421 3.634 30 20 CHED CC(C)OCCCOc1ccc(Br)cc1C#N 131575055 JEHOSTLXIGPTNO-UHFFFAOYSA-N 298.180 3.515 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@]1(C)CC 134286525 MHTXFMCCJRIYMF-HOCLYGCPSA-N 264.413 3.601 30 20 CHED C=CCN(Cc1cccc(-c2cccnc2)c1)C1CC1 136106303 GRPOBBPKDVLVKS-UHFFFAOYSA-N 264.372 3.899 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)ccc1C 136180155 SXPFQZHJFKAHQO-ZDUSSCGKSA-N 250.729 3.527 30 20 CHED C=CCCC(=O)NCc1ccc(C)cc1O[C@H](C)CC 151009566 ASGUQUGWUCUUJR-CQSZACIVSA-N 275.392 3.755 30 20 CHED CC[C@@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 151389109 NRGRSIOPLGUACQ-WBVHZDCISA-N 299.418 3.863 30 20 CHED Cc1ccccc1CC(=O)N[C@H](CCC#N)c1ccccc1 153665084 UXDPTDUWNFPYNM-GOSISDBHSA-N 292.382 3.699 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1cccc(Br)c1 155230504 KKRUMCRHHFMAEC-RYUDHWBXSA-N 295.224 3.992 30 20 CHED C#CCCCCNC(=O)[C@H](c1ccccc1)[C@@H](C)CC 156165522 SNWQKVADCFNJMH-RDJZCZTQSA-N 271.404 3.736 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(CC#N)cc2)C1 164482919 DTFOUVBJBFEAMA-TZMCWYRMSA-N 256.349 3.517 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1ccccc1CC 172671320 DPGUXOXJBOUUGN-GFCCVEGCSA-N 263.406 3.885 30 20 CHED N#Cc1cccc(CN2CC[C@H](Cc3ccccc3)C2)c1 172852889 XLJXEIOTQWJLIJ-LJQANCHMSA-N 276.383 3.623 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 177896479 SGFYDFIVNSYPJP-INIZCTEOSA-N 289.354 3.741 30 20 CHED N#CCCCOC(=O)C1(c2ccc(F)cc2F)CCCC1 179072424 RQLXCCBQPYCHAW-UHFFFAOYSA-N 293.313 3.624 30 20 CHED CCCCCCC[S@](=O)Cc1ncc(C)s1 179783366 BNPFWKGVVUXTSN-INIZCTEOSA-N 259.440 3.671 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 180904373 HBBILPBQYACVCG-ZIAGYGMSSA-N 268.404 3.888 30 20 CHED C[C@@H](OC(=O)CCc1ccc2[nH]ccc2c1)C(C)(C)C#N 181196873 FVGWLWULQTUSLS-GFCCVEGCSA-N 284.359 3.582 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(F)c(C)cc1F 182649638 DXVCVLMXGIMOJP-LLVKDONJSA-N 267.319 3.748 30 20 CHED C=CC[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1CCC 183050872 INJSKTOCRWRBFN-AWEZNQCLSA-N 297.402 3.519 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC)CSc1ccccc1 183376916 LCOUYBUBPYWYIU-CQSZACIVSA-N 292.448 3.775 30 20 CHED Cc1ccc(C(C)(C)C(=O)OCC2(C#N)CCC2)cc1 183843673 TUICGDRQDIDDCL-UHFFFAOYSA-N 271.360 3.510 30 20 CHED N#C[C@H]1CCC[C@H](NCc2coc(-c3ccccc3)n2)C1 185844019 MQEANFGYAIWJIR-ZFWWWQNUSA-N 281.359 3.514 30 20 CHED Cc1cc(C#N)ccc1COc1ccc2c(c1)CCCC2=O 186107200 AGZNFOWNLQCXOP-UHFFFAOYSA-N 291.350 3.965 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OC(C)C)c(OC)c1 186227680 AZKPLUZPYRTBGK-UHFFFAOYSA-N 292.379 3.522 30 20 CHED N#Cc1ccc(C[S@](=O)CCCCc2ccccc2)cc1 187104283 JIVKQJOWRHUACA-OAQYLSRUSA-N 297.423 3.830 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2ccccc2[C@@H]1C 187985245 VBMOCKVGXXEUAJ-GUYCJALGSA-N 257.377 3.735 30 20 CHED C=CCn1c(S[C@H](C)CCC#N)nnc1-c1ccco1 188282790 CZMVHTNTGPIWNA-LLVKDONJSA-N 288.376 3.508 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2)cnn1C(C)(C)C 188873495 PJXPADLXFZOJLM-ZHACJKMWSA-N 268.360 3.843 30 20 CHED C=CCSCCNCc1ccc2nc(C)ccc2c1 189320528 XRRKIZOOHUZHPT-UHFFFAOYSA-N 272.417 3.552 30 20 CHED CCC(CC)(CC)[S@](=O)Cc1ccc(C#N)cc1 190570976 LUEHBAKXSHKNTD-GOSISDBHSA-N 263.406 3.776 30 20 CHED CCCc1noc(CS[C@@H](C)c2cccc(C#N)c2)n1 190786642 OLLYXSCLJHCVEU-NSHDSACASA-N 287.388 3.888 30 20 CHED C=CCN(Cc1ccc(C#N)c(F)c1)Cc1cccs1 191878700 GLMFEMSBALTBPW-UHFFFAOYSA-N 286.375 3.947 30 20 CHED N#CCSCCCN(Cc1c(F)cccc1F)C1CC1 192300692 VZWCJNXITKWZFA-UHFFFAOYSA-N 296.386 3.576 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](OC)c1ccccc1 192576220 XBVLLWQRHNRIEW-GOSISDBHSA-N 295.382 3.589 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 192586879 CNKPFQPONVLENS-ZIAGYGMSSA-N 283.371 3.688 30 20 CHED COc1cc(CNc2ccc(C#N)cc2)ccc1OC(C)C 192904084 HGDISGAKZQMNDT-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C=C(C)[C@H](NC(=O)OCC1CC1)c1ccc(F)c(F)c1 192911487 INUUIDHEIKOYDL-AWEZNQCLSA-N 281.302 3.718 30 20 CHED C[C@H](Oc1ccc2c(c1)CCC2=O)c1ccc(C#N)cc1 194706416 PAABVSAZGZYRIJ-LBPRGKRZSA-N 277.323 3.827 30 20 CHED O=C(/C=C\c1cccs1)c1ccc(F)cc1F 206083432 IDFWSUSPMMCLNB-XQRVVYSFSA-N 250.269 3.922 30 20 CHED C=CCN(CC=C)[C@H](C(=O)O)c1cccc2ccccc12 211676041 RTWOTPSXBOSTEO-KRWDZBQOSA-N 281.355 3.640 30 20 CHED CC1CCC(N(C)Cc2ccc(F)c(C#N)c2)CC1 229747857 SVQFSQVVNLEQJJ-UHFFFAOYSA-N 260.356 3.708 30 20 CHED C=CCSCCNc1cccc(Cl)c1C#N 231947874 COIUFKDFVYCMOR-UHFFFAOYSA-N 252.770 3.543 30 20 CHED COc1cc(CN[C@H](C)c2ccccc2C)ccc1C#N 234950409 YFHBBWOHEIGVNW-CQSZACIVSA-N 280.371 3.726 30 20 CHED C[C@@H]1C[C@@H](C)CN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 246574518 LQGCWGMCJLDQPC-BFYDXBDKSA-N 299.418 3.719 30 20 CHED C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)Sc1ccccc1 248789368 IQPDWFWABMHGEI-KFWWJZLASA-N 274.433 3.839 30 20 CHED C[C@H]1CC[C@H](NC2CC(C#N)(c3ccccc3)C2)CC1 253141032 WWVKUJFVWBZQLQ-SVOYEFRLSA-N 268.404 3.779 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCc2cccc(C)c2)cc1 254903394 VQZUDTRRORUADH-UHFFFAOYSA-N 296.370 3.894 30 20 CHED COc1ccc(/C=C2\CCCC(C)(C)C2=O)cc1O 255325643 XKHNIWRASIBZIM-FMIVXFBMSA-N 260.333 3.563 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc([C@H](C)C(=O)O)c1 263182589 HLQVROIGYFWCRZ-LBPRGKRZSA-N 287.359 3.582 30 20 CHED Clc1ccc(CON=C2CCC2)c2ncccc12 265460700 MZSUFQNPKMSMTQ-UHFFFAOYSA-N 260.724 3.945 30 20 CHED N#Cc1ccc(N2CC[C@H](COCc3ccccc3)C2)cc1 266244083 LVJLXKLPSOUPBE-SFHVURJKSA-N 292.382 3.601 30 20 CHED CCN(CCC#N)Cc1cnc(-c2ccccc2)s1 266943333 RNSGXVSTYXMCBF-UHFFFAOYSA-N 271.389 3.546 30 20 CHED C=CCN(C(=O)Nc1cc(-c2ncco2)ccc1C)C1CC1 271523774 WEAPHGIEQRRHKI-UHFFFAOYSA-N 297.358 3.832 30 20 CHED C[C@H](NCCC[C@@H]1CCCCO1)c1ccc(C#N)c(F)c1 274070159 UWAHIJBBAQBPLB-BBRMVZONSA-N 290.382 3.697 30 20 CHED C[C@H](CCC#N)N[C@@H](c1ccc(F)cc1)C1CCC1 276273887 DMYMAJFMMPRSBG-MLGOLLRUSA-N 260.356 3.949 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2c(C)noc2C)CCCC1(C)C 277756332 QVMBJLQFFCIWLC-ZDUSSCGKSA-N 291.395 3.890 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(C)c(OC(C)C)c1 278388273 DPUVITYHIRVNLC-ZDUSSCGKSA-N 289.379 3.596 30 20 CHED COc1ccc(CCC(C)=O)cc1OCCC(C)(C)C#N 281725545 AKOSZIMWFHYURV-UHFFFAOYSA-N 289.375 3.535 30 20 CHED CCc1ccc(NC(=O)C2(C#N)CCC2)cc1Cl 287759896 NDEYZFYYFKVJTJ-UHFFFAOYSA-N 262.740 3.535 30 20 CHED C#CCC(C)(C)c1nc(C(C)(C)c2ccccc2)no1 289114557 PQXTXUOBAXCOKV-UHFFFAOYSA-N 268.360 3.696 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@H]1c1ccccc1C 291014012 MDTOSFWGBWAKPD-QGZVFWFLSA-N 296.418 3.813 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(F)ccc1Cl 293721421 VPXKNNZNFMUPNW-SNVBAGLBSA-N 255.720 3.564 30 20 CHED Cc1cc(C#N)cc(C)c1OC(=O)OC1CCCC1 295145077 CPPQNUIPFDOOBJ-UHFFFAOYSA-N 259.305 3.633 30 20 CHED CC(C)(C)c1cnc(CSc2ccc(C#N)cn2)o1 298354908 QDJQHJMNKJZIDZ-UHFFFAOYSA-N 273.361 3.531 30 20 CHED N#Cc1ccc(N[C@H]2CCSc3c(F)cccc32)nc1 301098711 WYBHXQNATLQWPC-ZDUSSCGKSA-N 285.347 3.741 30 20 CHED CC(C)(CNc1ccc(C#N)cn1)Cc1ccccc1 301281679 KUSNUPJNKKRBCH-UHFFFAOYSA-N 265.360 3.634 30 20 CHED C[C@@H](CNc1c(F)cc(C#N)cc1F)Oc1ccccc1 301302889 WCQZLYFQWMVANX-NSHDSACASA-N 288.297 3.716 30 20 CHED N#Cc1c(F)cccc1N[C@H]1C[C@H]1c1c(F)cccc1F 301321637 SXQSGEJTDUMAKP-PSLIRLAXSA-N 288.272 3.944 30 20 CHED CC[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 301363907 NEYXPHRKTYVHCH-JQWIXIFHSA-N 298.308 3.581 30 20 CHED CC(C)(C)c1nccc(Oc2ccc(C#N)cc2F)n1 301690490 KBGXXXVMKNMAGW-UHFFFAOYSA-N 271.295 3.577 30 20 CHED N#Cc1c(F)cccc1N1CCc2c([nH]c3ccccc23)C1 301821987 BUJUAJVXYXAPTL-UHFFFAOYSA-N 291.329 3.741 30 20 CHED Cc1nnc(N[C@H]2CCCc3cc(F)ccc32)c(C#N)c1C 301870472 CUQJQCJYUCYSKY-INIZCTEOSA-N 296.349 3.594 30 20 CHED CC[C@@H](C)CN(CC)c1snc(Cl)c1C#N 301958615 ONMBCLKYFYBGRJ-MRVPVSSYSA-N 257.790 3.541 30 20 CHED C=CCN1CCC(Nc2c(C)c(C)nc3ccccc23)CC1 302074570 IITKCRSEZNBFSZ-UHFFFAOYSA-N 295.430 3.914 30 20 CHED C=CCCNc1cc(F)cc(F)c1Br 307209535 PHPAFTLTWUCNKK-UHFFFAOYSA-N 262.097 3.715 30 20 CHED CCc1nc(C#N)cc(Sc2cc(C)ccc2C)n1 308280365 IDOUCPZEWPNQRL-UHFFFAOYSA-N 269.373 3.679 30 20 CHED C=C(Br)CN(Cc1cccs1)C(C)C 308617989 RXUFSSFKNRPXHQ-UHFFFAOYSA-N 274.227 3.867 30 20 CHED C#C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(C)C 310574893 IVKDXEDYRNZTNL-NSHDSACASA-N 285.174 3.773 30 20 CHED CC(C)(C)CCCNc1c(C#N)nnc2ccccc12 313477805 ZPVSXEFEFRBSAU-UHFFFAOYSA-N 268.364 3.740 30 20 CHED C=C(CC)CN[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 313497649 FGHFZVRFILRTGI-LSDHHAIUSA-N 296.455 3.578 30 20 CHED C[C@@H](NC[C@@H]1OCCc2ccccc21)c1ccc(C#N)cc1 315570986 KGRMHORKODSEPS-KUHUBIRLSA-N 292.382 3.523 30 20 CHED C[C@H](c1ccccc1F)N(C)CCOc1ccc(C#N)cc1 315646927 WNMPRURESYGBKM-CQSZACIVSA-N 298.361 3.769 30 20 CHED Cc1cc(C)nc(N=C(O)C2C3CC4CC(C3)CC2C4)n1 329335071 XQMANOPWVZFFJJ-UHFFFAOYSA-N 285.391 3.754 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/[C@@H]1CC[C@H](C)[C@@H](C)C1 329497423 GHYQJKMPPFRYMZ-OUJBWJOFSA-N 276.380 3.990 30 20 CHED CC[C@H]1OCCC[C@H]1C(O)=Nc1scnc1C1CC1 330250281 MXVJNVPPJUBMKL-GHMZBOCLSA-N 280.393 3.814 30 20 CHED CCOc1ccccc1N/C(O)=N/[C@@H]1CC[C@H](C)C1 331277705 JLEBLNUJHFXUQT-NWDGAFQWSA-N 262.353 3.600 30 20 CHED CC1(C#N)CCC(NCc2ccc3c(c2)CCCN3)CC1 335051790 HJIPTGZMSQGCFH-UHFFFAOYSA-N 283.419 3.607 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C1CCCCC1 335197761 ZBDOBGGEYBDJPQ-UHFFFAOYSA-N 276.767 3.925 30 20 CHED Cc1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 335277679 SJFMBOGZOKTSKK-CYBMUJFWSA-N 264.328 3.609 30 20 CHED Cc1nc(SCc2cccc(F)c2C#N)oc1C 336093005 QIGWAUDKMGPMFF-UHFFFAOYSA-N 262.309 3.595 30 20 CHED Cc1ccccc1NC(=O)C1(c2cccc(C#N)c2)CC1 336402646 JICZAEIMCVYHIC-UHFFFAOYSA-N 276.339 3.537 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H]1OC(F)F)c1ccc(C#N)c(F)c1 337555511 RCLXHTUTOWPRNZ-FZZIBODNSA-N 298.308 3.508 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@H](CCC)C1 337804419 GVIMKASXZDRLNK-AWEZNQCLSA-N 288.439 3.748 30 20 CHED N#CC1(CN2[C@H]3CC[C@H]2CC(c2ccccc2)C3)CC1 338347579 HXTPAHQTVKGEHB-IRXDYDNUSA-N 266.388 3.701 30 20 CHED Cc1c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccn1C(C)C 338803225 ZJKADKPVZJWIFA-ZDUSSCGKSA-N 295.386 3.740 30 20 CHED CCC(CC)CN(CCC#N)c1cccc(F)c1C#N 339058868 XRFGPQMSEKGWGM-UHFFFAOYSA-N 273.355 3.854 30 20 CHED C=CC[C@@H](CC)NC(=O)c1[nH]c(C)c(C(C)=O)c1CCC 341643223 DSHCBOYZYWVYFH-CYBMUJFWSA-N 290.407 3.563 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(F)cc(F)c1 342612239 BWVJVEPCUTZWNL-UHFFFAOYSA-N 283.318 3.666 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc2c(c1)CCCC2 343020152 JXXBBPAAPYFXKT-UHFFFAOYSA-N 298.430 3.967 30 20 CHED Cc1cc(C)cc(C2=CCN(CC3(C#N)CC3)CC2)c1 343559594 DZOCQAZSVSJEPE-UHFFFAOYSA-N 266.388 3.696 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 343698248 FTFXKYBOABJHDX-GHMZBOCLSA-N 281.812 3.693 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CCC(=O)[C@H](C)C1)c1ccccc1 344367710 NAUYMXAJOZMQMI-PVAVHDDUSA-N 299.414 3.815 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 346247596 GGYRSPPRVYSBNE-SECBINFHSA-N 287.388 3.692 30 20 CHED CCCN(CCCC#N)Cc1ccccc1Br 346639947 ULEJGYZWCGGAOU-UHFFFAOYSA-N 295.224 3.965 30 20 CHED CCOc1cccc(/C=C/c2ccncc2C#N)c1 347442932 MDASCLSWQRSTAU-VOTSOKGWSA-N 250.301 3.522 30 20 CHED COc1ccc2c(c1)[C@H](NCC(C)(C)CCC#N)CCC2 348244283 NLGVNMDYDFYXTI-QGZVFWFLSA-N 286.419 3.992 30 20 CHED Cc1ccc(C)c(OC2CCN([C@@H](C)CCC#N)CC2)c1 351650559 XDEVZXYLVXLQFM-INIZCTEOSA-N 286.419 3.839 30 20 CHED N#Cc1ccncc1NC[C@H]1CCC[C@@H](C(F)(F)F)C1 354560430 MOMGVBCCKSOHII-CMPLNLGQSA-N 283.297 3.734 30 20 CHED COc1ccc(C#N)cc1NCc1ccc([C@@H]2C[C@@H]2C)o1 354856737 VBBBLANJBMYCKY-SMDDNHRTSA-N 282.343 3.895 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(CCC#N)Cc1cccnc1 355254172 CKFAOFAZMJJLDG-SJORKVTESA-N 299.418 3.540 30 20 CHED Cc1cccc(Oc2ncccc2NC(=O)[C@@H](C)C#N)c1C 357802431 VJFQEWQGTVAGQN-LBPRGKRZSA-N 295.342 3.589 30 20 CHED CC[C@@H](CC#N)NCc1cn(-c2ccccc2)nc1C(C)C 358288702 OKWJIUZGVHRIBT-INIZCTEOSA-N 296.418 3.778 30 20 CHED Cc1ccc([N+](=O)[O-])cc1Oc1ncc(C#N)cc1Cl 358878284 JQDVRJXXYSOMAG-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CC[C@@H](N[C@H](CO)CCC(C)(C)C)c1ccc(C#N)cc1 359088167 XOKSKOUMIOOFBG-DLBZAZTESA-N 288.435 3.786 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](C)CC[C@H]1C 359255598 RCHYCKVUEBXTIT-UONOGXRCSA-N 288.439 3.747 30 20 CHED N#Cc1csc(CNc2cnc3c(c2)CCCC3)c1 359823796 WYZNOFIYXRMSKZ-UHFFFAOYSA-N 269.373 3.506 30 20 CHED CC1(C)C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)CCO1 360664953 SVYVIFOORHDERQ-WMZOPIPTSA-N 298.430 3.873 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCCc2c(O)cccc21 360999499 UMBKJRCPHFIOKR-OAHLLOKOSA-N 272.392 3.689 30 20 CHED N#CCCN(Cc1cccnc1)Cc1ccsc1Cl 361497387 PCYHRNKKSPDHFK-UHFFFAOYSA-N 291.807 3.712 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1CCC[C@@H](OC)C1 361877450 NNJCNGTYJDLTAH-LSDHHAIUSA-N 294.439 3.513 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1CCCCCC(=O)C1 362493160 SXGMYWGBGKKIGZ-KRWDZBQOSA-N 299.414 3.741 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(OC)cc1F 393816832 YDRPWEDFOCIZDX-NEPJUHHUSA-N 251.345 3.840 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCC(F)(F)C2)cc1F 404094185 BJXHEKIFXDQLSX-GFCCVEGCSA-N 282.309 3.612 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 408384830 INNQTKMYACECLX-AWEZNQCLSA-N 291.439 3.538 30 20 CHED C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(C#N)cc1 411452091 OSRANMPWQYLGEI-UYHISHBKSA-N 280.346 3.904 30 20 CHED Cc1oc(-c2cccs2)nc1CSCCC#N 413016959 XQTSMNXJPTZHOD-UHFFFAOYSA-N 264.375 3.858 30 20 CHED C=CCCCCCSCc1ccc(S(C)(=O)=O)o1 419493363 IEGUTUSMWWRYQO-UHFFFAOYSA-N 288.434 3.663 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1c1ccc(C#N)cn1 420640499 MWIQDHMIFHQAJN-INIZCTEOSA-N 277.371 3.726 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OC)c(OCC)c1 424607065 SXJMXAYQERAQBV-UHFFFAOYSA-N 277.364 3.635 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1coc2c(C)cccc12 425573265 AINUUJPKOGQJJI-LBPRGKRZSA-N 270.332 3.506 30 20 CHED Cc1cccc(CN(C)Cc2cccc(C#N)c2F)c1C 428705914 DLMNLZNEMIDEJX-UHFFFAOYSA-N 282.362 3.946 30 20 CHED COc1cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)ccc1SC 429684294 JYOGMMOXXJIYKW-TZMCWYRMSA-N 290.432 3.541 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1cccc2[nH]ccc12 432560954 WNMKEQAYYIOHEI-UHFFFAOYSA-N 299.418 3.912 30 20 CHED CCC[C@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)C(C)C 434011011 GXFRMGNVTDWQCD-KBPBESRZSA-N 264.413 3.599 30 20 CHED Cc1cc(OCCCCOC(C)(C)C)ccc1C#N 434646868 DEMVZTQUSCWRGD-UHFFFAOYSA-N 261.365 3.841 30 20 CHED CC(C)(C#N)CCCCSCc1nc(C2CC2)no1 435885732 NNVWWRCUUDQRNC-UHFFFAOYSA-N 279.409 3.900 30 20 CHED C=CCCCCNCc1c[nH]nc1-c1ccsc1 436412140 NCVONTZQRGIBQT-UHFFFAOYSA-N 261.394 3.584 30 20 CHED CCCCOC1CCN(c2c(F)cc(C#N)cc2F)CC1 439719086 YYQVBDQKLIDOPJ-UHFFFAOYSA-N 294.345 3.622 30 20 CHED CCn1cccc1CN(C)[C@H](C)c1cccc(C#N)c1 442689211 RYFXJJBHKDVARF-CQSZACIVSA-N 267.376 3.573 30 20 CHED CC[C@H](C)Oc1cc(C)ccc1CN[C@H]1CC[C@@H](C#N)C1 442787259 VKISLUYEFRRASD-UXLLHSPISA-N 286.419 3.954 30 20 CHED Cc1csc([C@@H](C)CNCc2ccc(C#N)c(C)c2)n1 444002952 QENGXLGOVKVNNS-LBPRGKRZSA-N 285.416 3.525 30 20 CHED C=CC[C@H]1N(C(=O)CCCn2cccc2)CCCC1(C)C 444642816 XRJJYJJUGGYCMA-MRXNPFEDSA-N 288.435 3.862 30 20 CHED C=CC[C@H]1N(C(=O)N[C@H]2CC=CCC2)CCCC1(C)C 445141158 UDKCRJOJPPJCAJ-LSDHHAIUSA-N 276.424 3.871 30 20 CHED CC[C@H](NCc1ccccc1)c1ccc(C#N)cc1 447514999 IWNZSYFBTQGMHW-KRWDZBQOSA-N 250.345 3.799 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CCSCC)CCCC1 449998336 HNZDQOYBYAKJPY-ZDUSSCGKSA-N 269.454 3.771 30 20 CHED C=CCCN[C@@H](CCOC)c1cccc(C(F)(F)F)c1 451695192 PAASQFUTSXKEOZ-AWEZNQCLSA-N 287.325 3.949 30 20 CHED C=CCCC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452654970 GWZBZYISINPSDZ-UHFFFAOYSA-N 272.348 3.640 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)Sc1ccc(C)cc1 452773339 ASMMESNUJKUNDE-CYBMUJFWSA-N 277.433 3.804 30 20 CHED C[C@H](NC(=O)NCCC(C)(C)C1CC1)c1ccc(C#N)cc1 454342383 FOISKUBMZWWTJX-ZDUSSCGKSA-N 299.418 3.745 30 20 CHED C=CC(C)(C)CNC(=O)Nc1sc(CCC)nc1C 455200509 YFQFZTDMDLDTDG-UHFFFAOYSA-N 281.425 3.738 30 20 CHED C=CCC1(NC(=O)c2cc(C3CC3)on2)CCCCC1 456382215 NJVYPCUXYMKMLE-UHFFFAOYSA-N 274.364 3.561 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1Cl)C1CCCC1 456659205 LVALNFIMGVOQPL-HNNXBMFYSA-N 290.794 3.910 30 20 CHED C=CCCC[C@@H](C)NC(=O)COCc1cccc(Cl)c1 457712865 QZQXDNNDUSGOAV-CYBMUJFWSA-N 295.810 3.718 30 20 CHED CC(C)(CC#N)CNC(=O)C[C@@H]1CCCCC1(C)C 457994184 OBTWVCCHPTWKQC-ZDUSSCGKSA-N 264.413 3.649 30 20 CHED Cc1ccc2nc(C)c(C(=O)NCC(C)(C)CC#N)cc2c1 457994565 XVAWHCNGRWAXSH-UHFFFAOYSA-N 295.386 3.521 30 20 CHED CCC[C@@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 458022107 KAPWVSNIFYFDDO-OAHLLOKOSA-N 272.392 3.626 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](C)C[C@@H](C)C1 460550378 KLLJNUKGOXOSSE-HUUCEWRRSA-N 290.455 3.850 30 20 CHED C=CCCOCCNC(=O)[C@@H](CC)C1CCC(C)CC1 461031607 UAPBFISBYAWCTK-GPANFISMSA-N 281.440 3.548 30 20 CHED C=CC[C@H](C(=O)N1CC2(CCC2(F)F)C1)c1ccccc1 461272478 XZWAUUFHVLPKBI-AWEZNQCLSA-N 291.341 3.604 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)c1cccc(Br)c1 462124399 FCWHOLXYHLRJFL-WDEREUQCSA-N 296.208 3.633 30 20 CHED CC[C@@H](C(=O)Nc1ccccc1C#N)c1ccc(OC)cc1 463071601 WZKKXNHYAJMRFR-MRXNPFEDSA-N 294.354 3.699 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2ccc(F)cc2Cl)C1 463297094 IUIYJKNQJATEEC-RISCZKNCSA-N 280.774 3.694 30 20 CHED C=CCCN(C)C(=O)NCC(CC)(CC)c1ccccc1 466781513 BNJFMYQBDNLPGW-UHFFFAOYSA-N 288.435 3.962 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCc2ccc(OC)cc21 469749578 VBZMOLHZSTVJRT-XJKSGUPXSA-N 287.403 3.586 30 20 CHED C=CCCCCNC(=O)c1ccccc1OCC1CC1 471696040 ZCYGUNQYMWEKGL-UHFFFAOYSA-N 273.376 3.562 30 20 CHED C=CCCCCNCc1ccc(F)c2cccnc12 472069842 MCUQGSHOVGYNBW-UHFFFAOYSA-N 258.340 3.820 30 20 CHED C=C(C)CN(C)C(=O)CCOc1cc(C)ccc1C(C)C 479245829 OJMLNRYQWLTEFB-UHFFFAOYSA-N 289.419 3.922 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NCc1cc(C#N)n(C)c1 480342786 ITELLOJGGLQSAK-DOTOQJQBSA-N 273.424 3.591 30 20 CHED C[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)cc2Br)C1 481057070 MVKQYWVRIRRESO-GHMZBOCLSA-N 293.208 3.551 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)s1 487335008 PICYXMZHSOXHSI-AWEZNQCLSA-N 298.411 3.761 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CCC1CCCC1 488293019 ZXEVKZCPZHWFJB-WBVHZDCISA-N 293.451 3.929 30 20 CHED C=CC[C@H](C(=O)N1CCC[C@H](C)CC1)c1ccccc1 488363583 GAGXGGRJLAZCMH-RDJZCZTQSA-N 271.404 3.995 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@H](C)c1ccc(OC)cc1 488879688 PKBYESJRVHNWQC-HOCLYGCPSA-N 287.403 3.756 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)Cc1ccccc1F 490055446 CHRZBBRHMXQCDI-CYBMUJFWSA-N 277.383 3.723 30 20 CHED C=C[C@@H](C)ON=C(C)CCCCNC(=O)OC(C)(C)C 496573592 UQRZOALCQOEIQG-CYBMUJFWSA-N 284.400 3.648 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](CCCC)C(=O)OC(C)(C)C 500094248 RXPDBQRDAOSEJT-ZDUSSCGKSA-N 297.439 3.605 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(CC#N)cc1 516846358 VZBDJOGPCREUJI-UKRRQHHQSA-N 270.376 3.908 30 20 CHED N#CCCNc1cccc(NC(=O)C2CCCCC2)c1 517732994 QLDJMXPQPPDOKX-UHFFFAOYSA-N 271.364 3.531 30 20 CHED N#Cc1cc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)ncn1 520706548 WAFYGTQWYSDDCW-OAHLLOKOSA-N 294.333 3.535 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)C[C@H](C)C#N 522391479 BFCOSYLTJCEOEV-GDBMZVCRSA-N 278.440 3.847 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cccc(C#N)c1 522467193 ATVPMKVGWZDQRN-BEFAXECRSA-N 276.383 3.936 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 522888673 GHSKCUJFFVEPES-GOSISDBHSA-N 297.402 3.887 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1cc(C#N)ccc1F 525641006 OLBFHOSFBGGRHV-OLZOCXBDSA-N 260.356 3.708 30 20 CHED CC[C@@H](C)CNCC#Cc1ccc(C(F)(F)F)cc1 527355297 HCBGPLRKDORWHH-GFCCVEGCSA-N 269.310 3.693 30 20 CHED Cc1ccccc1-c1nsc(N2CCC(C)(C#N)CC2)n1 527956835 XTKZJEZVEZAPOD-UHFFFAOYSA-N 298.415 3.644 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2cnn(C(C)C)c2c1 528336747 QOWKLYBTEFZHJH-UHFFFAOYSA-N 298.390 3.886 30 20 CHED C=C[C@@H]1CCCCN1Cc1ncc(Br)cc1F 529553153 FMUIYTXLTCZNOI-LLVKDONJSA-N 299.187 3.524 30 20 CHED N#Cc1c(F)cccc1OCCCOc1ccc(F)cc1 534383919 DBDDDUOJGFJVQN-UHFFFAOYSA-N 289.281 3.684 30 20 CHED CC(C)(C)[C@@H](NCC1(C#N)CC1)c1ccc(F)cc1 537248666 LTHOFLQSRUGJGO-AWEZNQCLSA-N 260.356 3.806 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc2cc(OC)ccc2c1 538197911 MKSVWYNAVUDVNE-LSDHHAIUSA-N 299.414 3.684 30 20 CHED C[C@H](N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(C#N)c(F)c1 540711060 UEXUBWXSYAKXOJ-SOVGHPHASA-N 294.373 3.979 30 20 CHED C[C@H](CCC(=O)N1CCC(CC#N)CC1)c1ccccc1 541051600 QSTRPSUYGGLOPE-OAHLLOKOSA-N 284.403 3.723 30 20 CHED C=C(C)CN(CC)C(=O)CSCCCc1ccsc1 541173757 YGYZNBDYHPLJCE-UHFFFAOYSA-N 297.489 3.839 30 20 CHED Cc1ccc(C(C)(C)NCC#Cc2cccc(Cl)c2)cn1 545398601 UTSNWFDJYIIUSU-UHFFFAOYSA-N 298.817 3.920 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N[C@](C)(C#N)C(C)(C)C 547332279 RIMYHGCGWPSEHO-MAUKXSAKSA-N 286.419 3.700 30 20 CHED C=CCN(C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 547995823 GQLARZSMRUYALT-UHFFFAOYSA-N 273.336 3.601 30 20 CHED N#Cc1ccccc1OCCSCCCCCF 550999273 AFTWEHCROTWYEB-UHFFFAOYSA-N 267.369 3.810 30 20 CHED C=CCC(C)(C)c1noc(CCSc2ccccn2)n1 551145723 UQWHKBXATIUZQK-UHFFFAOYSA-N 289.404 3.653 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)[C@H]2CCC[C@H]21 556958472 GGCDKXYPUBCEHD-KGLIPLIRSA-N 260.406 3.630 30 20 CHED C=C(CC)CNC(=O)N[C@H](c1ccccc1)C(F)(F)F 562882529 JKPNNEQYXYATSV-GFCCVEGCSA-N 286.297 3.555 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)NCC1(C#N)CC1 571482056 GRIOTZMSUBOKNU-HNNXBMFYSA-N 276.424 3.649 30 20 CHED C=CCCCN[C@@H](C)c1ccc(OC)c(OC)c1C 573273700 VBDJYUIWYMTTJW-ZDUSSCGKSA-N 263.381 3.629 30 20 CHED N#Cc1c(N[C@@H]2CCC[C@@H]2F)cccc1C(F)F 574585236 UNQQDRBRCUMQHB-CMPLNLGQSA-N 254.255 3.798 30 20 CHED CCC[C@H](C#N)NC(=O)c1csc(C2CCCCC2)n1 577707839 YPOGMLAERVMQCK-GFCCVEGCSA-N 291.420 3.613 30 20 CHED C=Cc1ccc(C(=O)Nc2scc(C)c2C#N)cc1 579696112 HXBHDXICZXEKFU-UHFFFAOYSA-N 268.341 3.824 30 20 CHED CC[C@H](NC(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 585740210 NGFUTFBFTJOTDM-INIZCTEOSA-N 288.366 3.786 30 20 CHED Cc1ccc(C#N)c(Nc2ccc3c(cnn3C(C)C)c2)n1 587980318 MGDNWNRLBGXZFP-UHFFFAOYSA-N 291.358 3.936 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1sccc1O 588598929 KGBCQLHMSOLCME-WAYWQWQTSA-N 284.336 3.669 30 20 CHED N#CCCCCCC(=O)NCC1CCCCCC1 590774460 XHCNXBHBIOMFIB-UHFFFAOYSA-N 250.386 3.547 30 20 CHED C[C@H](CCC#N)Sc1nnc(-c2ccccc2F)o1 591125142 XZVSSWQBGHAPPX-SECBINFHSA-N 277.324 3.660 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 593176413 GSYNSFDEOXHTMM-JSSFPYSZSA-N 294.398 3.680 30 20 CHED N#CCNC(=O)c1ccc(-c2cccc(C3CCC3)c2)cc1 593954823 RXYGFSOJTURBAM-UHFFFAOYSA-N 290.366 3.874 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC1(C)C 594040241 YWEBXPCCFPXHIX-PBHICJAKSA-N 298.430 3.679 30 20 CHED CCc1nc(SCC2(C#N)CC2)c2ccccc2n1 594466731 MDEJXXULRRGYGN-UHFFFAOYSA-N 269.373 3.588 30 20 CHED Cc1cc(C)cc(CNC2CCC(C)(C#N)CC2)c1 594973596 NCHIDPNGIDUERZ-UHFFFAOYSA-N 256.393 3.866 30 20 CHED Cc1cccc2c1CC[C@@H]2NCCc1ccc(C#N)cc1 595058191 ZBHZGGCTVDHWJI-IBGZPJMESA-N 276.383 3.686 30 20 CHED COc1ccc(C)cc1[C@@H](C)N[C@@H](C#N)c1ccccc1 595408817 MQSYASINYPGIAF-PBHICJAKSA-N 280.371 3.919 30 20 CHED N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]32)c(OC(F)F)c1 595565111 AZIFFMSJKWZEST-JSGCOSHPSA-N 292.329 3.534 30 20 CHED CCO[C@H](CC)c1noc(/C=C/c2cccc(C#N)c2)n1 596615690 KYQPENRXUUGXLZ-MYSGNRETSA-N 283.331 3.599 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 596640648 NVDOMLTWBJYCDA-CYBMUJFWSA-N 277.755 3.522 30 20 CHED CC(C)CN(C(=O)CC1(C#N)CCCCC1)C(C)C 597042213 RNOALXRFUWQPSD-UHFFFAOYSA-N 264.413 3.744 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NCC(C)(C)C#N 597084401 ZBEJZWNPKSYYQR-CQSZACIVSA-N 264.800 3.800 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)CC1(C#N)CCCCC1 597753488 RNKBWLZFURSHGY-CYBMUJFWSA-N 262.397 3.640 30 20 CHED CCCC[C@H](C(=O)N[C@H](C#N)CC(C)C)C(C)C 598826927 YKOBGACSNKJYSD-KBPBESRZSA-N 252.402 3.503 30 20 CHED Cc1cc(CN2C[C@H](C)C(F)(F)[C@H](C)C2)ccc1C#N 599515831 VLSJSWLGNFOWSW-BETUJISGSA-N 278.346 3.590 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)NC[C@H](C)CCC#N 602564373 FGMIVQCBBBXWRY-PBHICJAKSA-N 276.399 3.922 30 20 CHED Cc1ccc(Br)c(CNC[C@H](C)CCC#N)c1 602688903 FQGSKTVKRLUECS-GFCCVEGCSA-N 295.224 3.787 30 20 CHED CC1(C#N)CCN(c2nc3ccc(F)cc3s2)CC1 603333300 LZAOVZZVAHAJGX-UHFFFAOYSA-N 275.352 3.565 30 20 CHED CCSc1ccccc1C(=O)NCc1ccc(C#N)cc1 603510857 CQGWGSOVTUKPTL-UHFFFAOYSA-N 296.395 3.600 30 20 CHED C[C@@H](NCC1=Cc2ccccc2OC1)c1cccc(C#N)c1 610345147 UVPCTAWVXAGTML-CQSZACIVSA-N 290.366 3.685 30 20 CHED N#Cc1ccccc1CN1Cc2ccccc2C(F)(F)C1 610989825 MKUXBUWFTMLRGP-UHFFFAOYSA-N 284.309 3.666 30 20 CHED C=C(CC)CSc1nc2ccc(C(=O)OC)cc2o1 611337891 PFADBQNNMVRUNC-UHFFFAOYSA-N 277.345 3.673 30 20 CHED CCc1cccnc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 611559438 AYWRSTZYVSCVMR-ZIAGYGMSSA-N 279.387 3.927 30 20 CHED N#CCC[C@H](NC(=O)N1CC[C@H]2CCC[C@@H]21)c1ccccc1 614477189 JDCHTXWBQJHJMS-IKGGRYGDSA-N 297.402 3.615 30 20 CHED C=CCCNC(=O)CCSc1cccc(Cl)c1 617618337 LUPJLNKRZYLQCA-UHFFFAOYSA-N 269.797 3.515 30 20 CHED CC(C)(C)[C@H]1CN(c2ccc(C#N)nn2)c2ccccc21 618174603 SOFKMDBCPTXCPW-AWEZNQCLSA-N 278.359 3.630 30 20 CHED C=CCC1(NC(=O)c2ccc(C3CCC3)cc2)CCOCC1 618250762 OAFAHNYLNSERAJ-UHFFFAOYSA-N 299.414 3.809 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](c1ccc(OC)nc1)C1CC1 624346774 YZFYTXPKDCSIBN-AHIWAGSCSA-N 274.408 3.732 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@]12C[C@@H](C)C[C@@H](C)C2 639405076 SGQMTHHKVJXNCW-UOIKSKOESA-N 284.403 3.893 30 20 CHED C=CCCC(C)(C)NCc1cnn(-c2ccccc2)c1 657805928 XNWKWRRIPYBVPE-UHFFFAOYSA-N 269.392 3.707 30 20 CHED C=CCN(Cc1csc([C@@H](C)OC)n1)C(C)(C)C 661756136 DJOYPFMPLADLKB-LLVKDONJSA-N 268.426 3.637 30 20 CHED C=CCC1(NCc2cc3ccccc3n(C)c2=O)CCCC1 661851455 VIMDDTIJZRZVNI-UHFFFAOYSA-N 296.414 3.517 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 664556483 WCWSHBZUWXVEMA-KGLIPLIRSA-N 296.455 3.624 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](CC)C1CC1 666688426 MYQJQCIXUQBMBV-INIZCTEOSA-N 290.382 3.712 30 20 CHED C=CCN(C(=O)c1ccc(CC(C)C)cc1)C1CC1 678499718 NNBDHNNVFVZFRG-UHFFFAOYSA-N 257.377 3.676 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@H]1CCc2ccccc21 683788065 FXGYKWQJOPVXRH-CVEARBPZSA-N 269.388 3.674 30 20 CHED Cc1cc(C#N)nc(NCc2ccc(Cl)c(Cl)c2)n1 689224684 PPPDGDAVCSUHSB-UHFFFAOYSA-N 293.157 3.576 30 20 CHED CCCCCCCCOC(=O)/C=C\C1CCOCC1 732692796 MTSWUUSUMHNHCZ-HJWRWDBZSA-N 268.397 3.873 30 20 CHED CCC(=NNc1cnnc2ccccc12)c1ccc(F)cc1 733748487 ZZHHPUZOOMJIRZ-UHFFFAOYSA-N 294.333 3.995 30 20 CHED C#Cc1ccc(C(=O)N[C@H](C)CCC2CCCCC2)nc1 734344816 SFDUMGYPLXAPNJ-CQSZACIVSA-N 284.403 3.542 30 20 CHED C=CC[C@H](NC(=O)NC1CCCCCC1)c1ccncc1 734652123 GIUCHNOTCNGQFD-INIZCTEOSA-N 287.407 3.721 30 20 CHED C=C(Cl)CNCc1ccc2c(c1)CCC(C)(C)O2 735925697 NTQWHZLTPPYGHT-UHFFFAOYSA-N 265.784 3.632 30 20 CHED CCCCCCCC(=O)Nc1cc(C)c(F)cc1C(N)=O 736528108 ZGQHVADTNXJQET-UHFFFAOYSA-N 294.370 3.532 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(OC2CCCC2)c1 736955772 OJTVRUOOHXKGNK-UHFFFAOYSA-N 294.782 3.882 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)c1cc(C)cc(C)c1 741639101 PKQHBOXTAPOHOQ-UHFFFAOYSA-N 297.329 3.707 30 20 CHED CCON=C(C)c1ccc(SCC(F)F)cc1 741763028 UIVZWAGACYOZLK-UHFFFAOYSA-N 259.321 3.804 30 20 CHED C[C@H]1CCC[C@H](C)N(CCCOc2ccc(C#N)cc2)C1 741793377 JOMXLBNNKWBDAE-HOTGVXAUSA-N 286.419 3.838 30 20 CHED CCc1nnc([C@@H](C)ON=Cc2ccc(C(C)C)cc2)o1 742351186 PKSJTNBLQFTULO-GFCCVEGCSA-N 287.363 3.867 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1snc(Cl)c1C#N 742413601 FFDKXGQERYVASX-SMDDNHRTSA-N 289.791 3.810 30 20 CHED C=C(C)CNc1cccc(Cl)c1OCCOCC 745169476 PGYDKKLVRLVTOC-UHFFFAOYSA-N 269.772 3.743 30 20 CHED C=CCCCOC(=O)c1ccc(OC2CCC2)cc1 745669499 HCUUQPBMAIXNKI-UHFFFAOYSA-N 260.333 3.741 30 20 CHED C#CCCCNC(=O)N1CC(C)(C)c2c(Cl)cccc21 745902196 AQFBBXNUNATAIQ-UHFFFAOYSA-N 290.794 3.561 30 20 CHED O=C1/C(=C/c2cccc3c2OCO3)CCc2cc(F)ccc21 747440835 VSRPCQWHPSYJHN-XYOKQWHBSA-N 296.297 3.767 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(O)c(C)c1 747642614 QXWNBBIOQLWSFM-UHFFFAOYSA-N 294.276 3.954 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cccc2cc[nH]c12 748920781 YXNXEHVRUUWOSO-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C[C@H](CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC1 752038533 GIIMDIKIVKDVGX-OLMNPRSZSA-N 296.414 3.721 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)c1 752176275 MJXVGPIIINEMQZ-KRWDZBQOSA-N 294.329 3.786 30 20 CHED Cc1ccc2c(CC(=O)OCCCCC#N)coc2c1 752627740 RNFSMQRZJKTUKS-UHFFFAOYSA-N 271.316 3.521 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1cc(Cl)ccc1O 755599008 NQROSZASNOHOJX-ALCCZGGFSA-N 283.714 3.813 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H](CC)C1)c1ccccc1 757063570 CZOAUQAPRHJAIP-WBVHZDCISA-N 284.403 3.583 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1ccc(O)cc1O 757471618 HNTRQWOGKHCCLO-LFZMHEMLSA-N 280.323 3.940 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccc(Cl)n1 759010102 JTXOUCGDMPNWQT-UHFFFAOYSA-N 265.740 3.547 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1cccc(OC(C)C)c1 759298334 GYWHIXTZTCLPSH-AWEZNQCLSA-N 274.360 3.882 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2cccc(Cl)c2F)cc1 759646021 ADUAVYXPTIJTLC-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CC(=NN=CCc1ccc(C(C)C)cc1)c1cnccn1 760249709 RLLQCQPMCZIQBX-UHFFFAOYSA-N 280.375 3.638 30 20 CHED CC(C)CC1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 760940518 GTXDNJXIEAJLAX-BQYQJAHWSA-N 296.414 3.856 30 20 CHED C=C(Cl)CN(C)C[C@@H](C)Cc1ccc(OC)cc1 761741298 WFCUCYLWNUTMAH-LBPRGKRZSA-N 267.800 3.558 30 20 CHED Cn1cc(NN=Cc2ccccc2-c2ccccc2)cn1 761866897 MWILOQYWIUOLKL-UHFFFAOYSA-N 276.343 3.533 30 20 CHED CCCCCCCC(=O)Nc1cccc(CC(=O)OC)c1 763813594 ULYCFFPEFYILGN-UHFFFAOYSA-N 291.391 3.701 30 20 CHED C=CCCOCCCCC(=O)Oc1ccc(C#N)c(C)c1 765091593 IXJVAVBGPFCSOD-UHFFFAOYSA-N 287.359 3.535 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccc2[nH]ncc2c1 766030889 ZSHRGALYCZCZHU-JTQLQIEISA-N 256.353 3.787 30 20 CHED C#CCCCNc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 766723628 FVFSUFHZRYXFLT-HZPDHXFCSA-N 298.430 3.630 30 20 CHED C#C[C@@H](CC)OC(=O)C1c2ccccc2Oc2ccccc21 768044600 RSUXFYHVDDIQRC-ZDUSSCGKSA-N 292.334 3.879 30 20 CHED COC1(C(=O)OCCCCC(C)(C)C#N)CCCCC1 768870956 PTWGXFVWNFEVFP-UHFFFAOYSA-N 281.396 3.599 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1cc2ccccc2[nH]1 771301184 KDIVVSVZETYYTF-UHFFFAOYSA-N 293.297 3.516 30 20 CHED Cc1cccc([C@H](C)C(=O)OCC#Cc2ccc(F)cc2)c1 771359617 BEWMQIPJXRGHQW-HNNXBMFYSA-N 296.341 3.833 30 20 CHED C=C(C)COC(=O)[C@@H](C)CSCc1ccccc1 772970952 GKUAGZWKIGKWSP-ZDUSSCGKSA-N 264.390 3.675 30 20 CHED CC(Cc1cccs1)=NNc1nccnc1C(C)C 773091311 NZHXDMOQZKJOHV-UHFFFAOYSA-N 274.393 3.692 30 20 CHED C=C(CC)CSCC(=O)N[C@@H](C)CCCCC 773290614 QDSQNPZBVOQHCW-ZDUSSCGKSA-N 257.443 3.771 30 20 CHED C=C(CC)COC(=O)c1sc(CCC)nc1C 773492915 PZRNSBRCCWGTLP-UHFFFAOYSA-N 253.367 3.527 30 20 CHED C=C(CC)COC(=O)CCc1c[nH]c2cc(C)ccc12 773521733 XYFUQWDHPWDNNT-UHFFFAOYSA-N 271.360 3.918 30 20 CHED CC(C)Cn1ccc2c(C(=O)OC3(C#N)CCC3)cccc21 774132344 ADYWIQSFVRDASU-UHFFFAOYSA-N 296.370 3.900 30 20 CHED CC(C)C(=NOC1CCOCC1)C1CCCCC1 774450942 NDUOGMHFAGIZRE-UHFFFAOYSA-N 253.386 3.774 30 20 CHED C[C@@H](NC1CCC(F)(F)CC1)c1ccc(OCC#N)cc1 776170419 KASCZIBQKNAIQW-GFCCVEGCSA-N 294.345 3.817 30 20 CHED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CCc2ccc(F)cc21 776191671 FTYROYZUUIDTHE-JYRVWZFOSA-N 297.285 3.946 30 20 CHED CC(C)(C#N)CCOC(=O)CSCc1ccc(F)cc1 776357938 ZORUUWWALYCASX-UHFFFAOYSA-N 295.379 3.542 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1ccc(C#N)s1 776522462 CHABESORCWAFTA-LBPRGKRZSA-N 284.384 3.716 30 20 CHED COc1cc(F)c(C(C)=NOC2CCCCC2)cc1OC 777458937 LQBMPKSCZDDIQW-UHFFFAOYSA-N 295.354 3.916 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2F)CCc2ccccc21 777912899 QDMVQXZZUAZXSN-LCYFTJDESA-N 297.285 3.946 30 20 CHED C#CCCCN1CCC[C@@H](c2ccc(F)cc2)CC1 778243493 LYHZTALHTBIMTG-OAHLLOKOSA-N 259.368 3.809 30 20 CHED COc1ccccc1CNc1ccc(OC(C)C)c(C#N)c1 779603976 PAJKUOJHHAAHET-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C#CCCCCCC(=O)O[C@H](C)c1ccc(C#N)cc1 779971123 AJOYCRCVUJPIKL-CQSZACIVSA-N 269.344 3.746 30 20 CHED COCCC1(C=NN[C@@H]2CCOC(C)(C)C2)CCCCC1 780246172 FBMAKHQDEJBZFI-OAHLLOKOSA-N 296.455 3.506 30 20 CHED C[C@@H]1CCCC(=NNc2cc(C#N)cc(Cl)n2)[C@@H]1C 781128786 VDYXDKWOBHMKBJ-NXEZZACHSA-N 276.771 3.831 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Oc1ccc(Cl)cc1C 782197232 JHAFMPMYHAINOJ-HNNXBMFYSA-N 282.767 3.783 30 20 CHED C=C[C@H]1CCCCN1C(=S)N[C@@H](C)Cc1ccccc1 782408816 ODQPKJUDLZISHK-HOCLYGCPSA-N 288.460 3.533 30 20 CHED C#CCOc1ccc([C@H](C)Nc2cccc3c2OCO3)cc1 782777403 KRBYJCSSKYZOBG-ZDUSSCGKSA-N 295.338 3.600 30 20 CHED Cc1ccc(F)c(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1N 783302313 SQMMFIOQDXPZPO-NSHDSACASA-N 298.317 3.506 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNCCC(=O)OC(C)(C)C 783869106 SZULXGHQTHAULF-STQMWFEESA-N 282.428 3.510 30 20 CHED Fc1ccc(Cl)cc1C=NNC1CCCCC1 786043056 GEKHURUNFBIAMH-UHFFFAOYSA-N 254.736 3.735 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(C)c(-n2cccc2)c1 787087461 RNAXBEWWPQHSME-OAHLLOKOSA-N 282.343 3.635 30 20 CHED O=C(/C=C/c1ccc(F)cc1Cl)c1cncs1 787173253 ZHSXLWPPTPKFJJ-DUXPYHPUSA-N 267.712 3.832 30 20 CHED C#Cc1cc(F)c(NCc2cccc(F)c2F)c(F)c1 787909904 KWRYIAYMZCINHK-UHFFFAOYSA-N 279.236 3.836 30 20 CHED CCCc1ccc(C(C)=NNCCc2ccncc2)cc1 789085865 NVFLTUZFTHRWET-UHFFFAOYSA-N 281.403 3.590 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1nccnc1C 790210554 HEELFOLZGOJMCQ-UHFFFAOYSA-N 295.173 3.928 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(OCC2CC2)cc1 792156434 FEXJWKWIOIRNJV-UHFFFAOYSA-N 286.419 3.847 30 20 CHED CCCCCCCN[C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C 792891090 YSHTWIAGSDMWFN-QLFBSQMISA-N 269.429 3.524 30 20 CHED CC(C)(C)c1nc(C=NNc2cccc(Cl)n2)cs1 793174078 ICPWGHSZAKONKT-UHFFFAOYSA-N 294.811 3.935 30 20 CHED COc1ccc(CNN=Cc2ccc(C(F)F)cc2)cc1 794497899 XODRJIANSBMPBK-UHFFFAOYSA-N 290.313 3.757 30 20 CHED CC(C)n1nccc1C=NN1CCC(C(C)(C)C)CC1 794536833 ZYVHETVDBUAQKW-UHFFFAOYSA-N 276.428 3.556 30 20 CHED C=C(C)CN(Cc1ccccc1)Cn1ncc(Cl)c1C 794650324 IXUOEFNQYIUZKZ-UHFFFAOYSA-N 289.810 3.881 30 20 CHED c1ccc(CCCNN=C2CCC[C@H]2c2ccccn2)cc1 794909262 OUSWKJBWWUGKIQ-KRWDZBQOSA-N 293.414 3.928 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1ccnn1C(C)C 794942981 UHJGOOWBWDSTIM-FNORWQNLSA-N 272.323 3.808 30 20 CHED Cc1cc(C=NNc2ncccc2F)ccc1Cl 794990186 JPBVBZIEGLXHQR-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(Cl)nc1C 796456205 YQFHOWHLZFUDCG-UHFFFAOYSA-N 267.756 3.689 30 20 CHED C[C@@H](OC(=O)c1ncccc1Cl)c1cccc(C#N)c1 796582832 ILMLRMXFBLARFD-SNVBAGLBSA-N 286.718 3.525 30 20 CHED CC[C@@H]1CC(=NNc2ncnc(Cl)c2C(C)C)CCO1 797404130 HFSSCIMHWNIIBB-LLVKDONJSA-N 296.802 3.610 30 20 CHED C=C[C@@H](OC(=O)c1ccc(C)c(NC(C)=O)c1)C(C)(C)C 798906875 RFCWODAZHAUCNK-OAHLLOKOSA-N 289.375 3.711 30 20 CHED Cc1ccc(C=NOC2CCCC2)c(-c2cnn(C)c2)c1 802712942 XTRUWKJJHAKSMO-UHFFFAOYSA-N 283.375 3.689 30 20 CHED C[C@H]1CCCC1=NN[C@H](C)CCc1ccc2c(c1)OCO2 802713933 YOOIYKYNOPNBJK-QWHCGFSZSA-N 288.391 3.502 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1c(Cl)cccc1Cl 803783825 FIDKSBGBIPAFNW-CYBMUJFWSA-N 286.158 3.976 30 20 CHED C#CCN(Cc1ccccc1)C(=O)/C=C/c1cccc(F)c1 804834506 IUJIEQPMFQBWSV-VAWYXSNFSA-N 293.341 3.501 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 806273175 SVXLIAYWWPIRJM-INIZCTEOSA-N 292.382 3.593 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C2/CC[C@@H](C)C2)cc1 809258218 ODOMSPDUPDGXSC-URBNMHANSA-N 282.387 3.676 30 20 CHED C#CCC1(C(=O)N(C)C2CCC(F)(F)CC2)CCCCC1 809286347 LJMMEDLDVFSUCP-UHFFFAOYSA-N 297.389 3.997 30 20 CHED C#Cc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 809664100 ANJTZTVZGIWBOT-LSDHHAIUSA-N 294.225 3.684 30 20 CHED C#C[C@H](NC(=O)c1cc2cccc(C)c2s1)C(C)C 809802278 UGBUKQHPLMNBEP-ZDUSSCGKSA-N 271.385 3.597 30 20 CHED COc1ccccc1CN(OC)[C@H](C)c1cccc(C#N)c1 810108530 BUZDBVDGVPPSHX-CQSZACIVSA-N 296.370 3.691 30 20 CHED C#CCCCCCC(=O)OCc1cc(C(C)(C)C)on1 810722996 CVVGAZMRYQUTLE-UHFFFAOYSA-N 277.364 3.599 30 20 CHED Clc1cc(Cl)cc(C=NNC[C@@H]2CCSC2)c1 811657052 CQMATCMHMHIVLS-VIFPVBQESA-N 289.231 3.670 30 20 CHED CCC(Cc1ccc(C)cc1)=NOCCOC(C)C 812237565 GOENDKCNWMSRGL-UHFFFAOYSA-N 263.381 3.745 30 20 CHED C#CCOc1cccc(NC(=O)N(CC)CC(C)(C)C)c1 812934081 QSINYRBCLVZQLM-UHFFFAOYSA-N 288.391 3.599 30 20 CHED Cc1ccc(-c2nc(C=NOCCC3CC3)co2)cc1 814245175 KSGFRRRKKLHGFX-UHFFFAOYSA-N 270.332 3.801 30 20 CHED CC(Cc1c(Cl)cccc1Cl)=NNc1cnccn1 814797188 IPKFHOYRKBDKTB-UHFFFAOYSA-N 295.173 3.814 30 20 CHED Cc1sccc1C=NNc1nc(C(F)(F)F)cs1 814867453 FNOXWAJYTXIEKX-UHFFFAOYSA-N 291.323 3.978 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 815004289 DAMCYULQPBGEPU-RWMBFGLXSA-N 271.351 3.625 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1C1CCCCC1 815064114 MWSWSCSYOAIVKJ-ZDUSSCGKSA-N 271.351 3.769 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1ncc(C(C)(C)C)o1 815314005 CEFRFRUQMCPSRF-SECBINFHSA-N 287.306 3.788 30 20 CHED C#Cc1cccc(N(C(=O)c2ncccc2Cl)C(C)C)c1 815604212 HQMGAHMTGIGAFP-UHFFFAOYSA-N 298.773 3.772 30 20 CHED C=CCC(F)(F)C(=O)OCc1c(C)cc(C)cc1F 816054293 ARWFAUXMEVGPJU-UHFFFAOYSA-N 272.266 3.697 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc2c1OC(C)(C)C2 816441660 ZQTPPBFJFKBPCZ-UHFFFAOYSA-N 281.302 3.550 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)C#CC(C)C 819974886 SVCRADQFXRIUIM-UHFFFAOYSA-N 283.371 3.613 30 20 CHED C#C[C@@H](NC(=O)N(CCC(C)C)C1CC1)c1ccccc1 820606365 XBOAELDUMUEHPK-QGZVFWFLSA-N 284.403 3.581 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C/C(Cl)=C\Cl 823617438 JEPQNMXTVIQKFS-SRMXYGTFSA-N 269.175 3.870 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(Cl)c2occc12)C1CC1 825105809 VKFUDUDWTLVQIN-VIFPVBQESA-N 288.734 3.603 30 20 CHED N#Cc1c(Cl)cccc1SCc1ccc(C(=O)O)o1 833760723 AXMBBWUNLHYCNM-UHFFFAOYSA-N 293.731 3.795 30 20 CHED CC(C)(C)Oc1ccc(NCCCCF)cc1C#N 834639794 BSNSVQUVVRXVKP-UHFFFAOYSA-N 264.344 3.897 30 20 CHED C#Cc1cccc(CN[C@H]2CCc3c(C)cccc32)c1 834902222 FWUWDNMYRMWIBQ-IBGZPJMESA-N 261.368 3.753 30 20 CHED CC[C@](C)(C=NNc1nc2ccccc2s1)OC 834913789 DOOLMRXSLDHAJG-CYBMUJFWSA-N 263.366 3.509 30 20 CHED Cc1ccc(CC=NNc2oc(C(C)C)nc2C#N)cc1 834950158 PRSDSINLUUQINN-UHFFFAOYSA-N 282.347 3.619 30 20 CHED Fc1cccc(NN=C2CCc3ccccc3CC2)n1 834979825 OMNCTMJYCVCJSE-UHFFFAOYSA-N 269.323 3.568 30 20 CHED Cc1ccsc1C=NN[C@@H]1CCc2c(F)cccc21 835020692 OIVCTOPYOHKKQT-CQSZACIVSA-N 274.364 3.807 30 20 CHED C=CCC1(C(=O)OCc2ccc(C)nc2)CCCC1 835235545 BVSUYCRLYHWDQR-UHFFFAOYSA-N 259.349 3.570 30 20 CHED CCc1c(C(=O)O[C@@H](CC)CC#N)oc2ccccc12 835339520 FLPHACULNHOONS-NSHDSACASA-N 271.316 3.844 30 20 CHED C#CCC[C@H](C)OC(=O)CCc1ccc(Cl)s1 839036795 XVGYGNSAEKYWIT-JTQLQIEISA-N 270.781 3.679 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H](C)Oc1ccc(SC)cc1 839041806 YDZCYVIHZSHIEC-OLZOCXBDSA-N 292.400 3.521 30 20 CHED Clc1cc(C=NOCc2ccccc2)cc2c1OCO2 839422153 YYKAOAUPSBWJFM-UHFFFAOYSA-N 289.718 3.619 30 20 CHED Cc1cccc(C)c1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839451607 ZFESVQKPEVRIHN-KGLIPLIRSA-N 257.333 3.543 30 20 CHED C=CCCCCCCNC(=O)NC1CCC(COC)CC1 840373683 NUJOIMHNGODAOY-UHFFFAOYSA-N 296.455 3.627 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(C)c(C)cc1Cl 844693113 UCZGNILCOAEOJW-JTQLQIEISA-N 268.744 3.584 30 20 CHED CC(C)(CC#N)COC(=O)c1ccc(C(F)F)cc1F 847683694 NMTPFJHHTWGQEQ-UHFFFAOYSA-N 285.265 3.860 30 20 CHED CC(C)=CCCC(C)=NNc1ncc(Br)cn1 848420473 CNKUCIARWLOVIQ-UHFFFAOYSA-N 297.200 3.773 30 20 CHED CC(C)c1ccccc1CN1CCC(C)(C#N)CC1 848901300 RPMQTSXZVJRKBK-UHFFFAOYSA-N 256.393 3.936 30 20 CHED C=CCCC(C)(C)NCc1cc(OC)ccc1OCOC 850417323 RNVSLKOIRWVJSK-UHFFFAOYSA-N 293.407 3.512 30 20 CHED CO[C@@H](C=NNc1c(Cl)cc(F)cc1Cl)C1CC1 853326490 BOTVSUAMXYLIOD-NSHDSACASA-N 291.153 3.955 30 20 CHED C=CC[C@H]1CCCCC1=NN[C@@H](C)c1ccncc1 853358417 AALUFAOHIFIVDL-ZFWWWQNUSA-N 257.381 3.855 30 20 CHED C/C(=C\C(=O)OCC(C)(C)CC#N)c1cccs1 857018431 DZNUKBJNEHGBGM-PKNBQFBNSA-N 263.362 3.634 30 20 CHED Clc1cnc(NN=C2CCCCCCC2)nc1 857222043 ZVRBEWDMBSQAIL-UHFFFAOYSA-N 252.749 3.642 30 20 CHED CC(C)C1CCC(=NNc2ncc(Cl)cn2)CC1 857223357 OYIZLOQAXDGXKK-UHFFFAOYSA-N 266.776 3.744 30 20 CHED CC(C)CN(Cc1cccc(Cl)c1)C(=O)C#CC1CC1 857739285 FZXBPUBGKKAWCY-UHFFFAOYSA-N 289.806 3.738 30 20 CHED N#CC[C@@H]1CCCN(C(=O)OCc2cccc(Cl)c2)C1 859218727 VCVWOHFAICPWFH-LBPRGKRZSA-N 292.766 3.602 30 20 CHED CCCCCCCCCC(=O)NCc1cccnc1O 863494643 RYADAIOQDLZGKP-UHFFFAOYSA-N 278.396 3.544 30 20 CHED C/C(=C\C(C)(C)C)C(=O)Nc1cc(C#N)c(F)cc1F 876347671 DSNIVUBLADSEEP-VQHVLOKHSA-N 278.302 3.767 30 20 CHED CC1CCN(c2ccc(CNC[C@@H](C)CCC#N)cc2)CC1 877024805 OZRVNLKBPBBIOF-KRWDZBQOSA-N 299.462 3.952 30 20 CHED CC#CCCCC(=O)NCc1ccc(SCC)cc1 881488050 ONWPJAVOXZUSIU-UHFFFAOYSA-N 275.417 3.608 30 20 CHED C=C1CCC(C(=O)Nc2cccc(COC)c2)CC1 888064044 LOBYLHSMUNYNDU-UHFFFAOYSA-N 259.349 3.518 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCOC2(CCC2)C1 889113232 MZQRXLSNMBTLGX-HNNXBMFYSA-N 279.424 3.541 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(OC)c1OC 889493138 MJMFQFSGVLSXRE-GFCCVEGCSA-N 292.379 3.570 30 20 CHED CCSc1ccc(CNC[C@@H](C)CCC#N)cc1 895526485 MWYQDPGLESPJGN-ZDUSSCGKSA-N 262.422 3.828 30 20 CHED N#Cc1cnc(N[C@H](c2ccccn2)C2CC2)c(Cl)c1 895794717 ZJSXKJNVIQDQTL-AWEZNQCLSA-N 284.750 3.565 30 20 CHED C=C1CC(c2noc([C@@H]3CCCc4c(O)cccc43)n2)C1 896878353 YQBIXIMPCJNQSO-CQSZACIVSA-N 282.343 3.677 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 901002820 SBIKXSLBZYGOKG-MRXNPFEDSA-N 299.414 3.853 30 20 CHED CS[C@@H]1CCCC(=NNc2ccc3[nH]ncc3c2)C1 901214573 AWBHTLPOWIMTAV-CYBMUJFWSA-N 274.393 3.636 30 20 CHED COc1cc(OCCCCC2(C#N)CCC2)ccc1C#N 901545863 ZWLHAJGCUFBLQH-UHFFFAOYSA-N 284.359 3.810 30 20 CHED CC[C@H](NC[C@@H]1COc2ccccc21)c1cccc(C#N)c1 902994056 JGIDAUNTUCQIEG-AEFFLSMTSA-N 292.382 3.775 30 20 CHED C=CCC(C)(C)c1nc([C@@H](OCC)C(C)C)no1 904124672 DJMJZUMNNXVPRL-NSHDSACASA-N 252.358 3.657 30 20 CHED Cc1cc(-c2ccc(F)c(C[C@@H](C#N)CO)c2)cs1 904752894 OCTDXWQLMBVXPS-NSHDSACASA-N 275.348 3.537 30 20 CHED CCO[C@H]1CCCC(=NNCc2cnc3ccccc3c2)C1 905452810 QXTGCMFUIGIAHX-KRWDZBQOSA-N 297.402 3.660 30 20 CHED N#CCCN[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 905606810 XNNZZEHMROKDSW-AEFFLSMTSA-N 278.355 3.755 30 20 CHED CCCOc1cccc(N=Cc2c(O)cccc2OC)c1 915112809 GYRQVYCQRHEOMF-UHFFFAOYSA-N 285.343 3.940 30 20 CHED C=C(Cl)COC(=O)CSc1ccc(C)cc1C 916610069 RHMPNXWVUQSRCV-UHFFFAOYSA-N 270.781 3.691 30 20 CHED Cc1ccc(N(C)Cc2ccc(C#N)cc2F)cc1C 917073383 QGNZJWBONRGNKS-UHFFFAOYSA-N 268.335 3.951 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(C)s1 917546406 LWWXLYZGYJYOFI-UHFFFAOYSA-N 265.769 3.941 30 20 CHED CCCNN=Cc1ccc(-c2cccs2)cc1F 917548736 RATNKGNCPSZKFN-UHFFFAOYSA-N 262.353 3.888 30 20 CHED CON=Cc1ccc(C(=O)O[C@@H](C)c2ccccc2C)cc1 920164717 MJUXJLPUUZZOGB-AWEZNQCLSA-N 297.354 3.893 30 20 CHED CCCC[C@H](CC)CNC(=S)N(CC)C[C@H](C)C#N 920994538 DVRAKEPVIZUNCP-KGLIPLIRSA-N 283.485 3.559 30 20 CHED COc1cc(/C=C2\Cc3c(F)cccc3C2=O)cc(OC)c1 921263208 AAJUQJUFOPXCAA-WUXMJOGZSA-N 298.313 3.665 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC1(c2cccc(F)c2)CC1 925107181 CUZVZLOYSNYFPS-ZDUSSCGKSA-N 274.383 3.775 30 20 CHED CO[C@H]1Cc2ccc(N[C@H](C)CC(C)(C)C#N)cc2C1 926164325 GKKCTVGZSKUAPQ-WBMJQRKESA-N 272.392 3.540 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1ccc(C)s1 930513320 LMLYQBXHIMHXND-NEPJUHHUSA-N 251.395 3.836 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 935323601 HRCNAZPUSIYZHL-YSVLISHTSA-N 282.387 3.517 30 20 CHED C=C1CCN(C(=O)N[C@@H](CC)c2ccc(F)cc2F)CC1 1119954503 PRQWNHKSOKYGBY-HNNXBMFYSA-N 294.345 3.778 30 20 CHED CC[C@@H](CCc1ccccc1)Nc1nnc(C)c(C)c1C#N 1163729700 ZADDADASKBCJKW-INIZCTEOSA-N 294.402 3.788 30 20 CHED CC(C)CC1CCN(CCOc2ccccc2C#N)CC1 1167636431 SJKBXSKPLRZSCB-UHFFFAOYSA-N 286.419 3.695 30 20 CHED CC(C)c1ccc(C[C@H](C)N=c2cc[nH]cc2C#N)cc1 1185819712 OXXJBDYKKIUVGK-AWEZNQCLSA-N 279.387 3.542 30 20 CHED C[C@H](CCc1ccc(F)cc1)C(=O)O[C@H]1CC[C@H](C#N)C1 1263385945 GGKGIABPABTGED-INWMFGNUSA-N 289.350 3.630 30 20 CHED Cc1csc2ncnc(Oc3ccc(C#N)cc3)c12 1306919795 IADRXNVGMUMHOY-UHFFFAOYSA-N 267.313 3.664 30 20 CHED C=CC[C@@H](C(=O)N1CC(C)(C)C1(C)C)c1ccccc1 1320763924 KVLFHIOCGYBBDO-OAHLLOKOSA-N 271.404 3.993 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNc1cccc(CC#N)n1 1325709412 BMPKKPJPBHVMHA-ZIAGYGMSSA-N 257.381 3.776 30 20 CHED CCCCCCCCc1nnc([C@H]2CCO[C@@H]2C)o1 1329484697 XSGNKYYOYAAMHO-OLZOCXBDSA-N 266.385 3.865 30 20 CHED Cc1ccccc1Nc1nc(CN[C@H](C)CC#N)cs1 1331776945 ZLZVFVAIBAMCIP-GFCCVEGCSA-N 286.404 3.587 30 20 CHED C=C(C)CCC(=O)N1CCCc2ccc(F)c(F)c21 1337329708 RSUFBYSGCLKOHN-UHFFFAOYSA-N 265.303 3.600 30 20 CHED N#Cc1ccc(NN=Cc2cccc3cn[nH]c23)cc1Cl 1337626710 UPVBFINCRPNJOL-UHFFFAOYSA-N 295.733 3.534 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1C[C@@H](C)C[C@@H]1CC 1339041190 WECBJCHPLNCFRZ-AVGNSLFASA-N 294.468 3.513 30 20 CHED N#Cc1ccnc(/C=C\c2csc(Br)c2)c1 1344739608 FBJGMOLLDYABOB-UPHRSURJSA-N 291.173 3.948 30 20 CHED Cc1cc(C)c(C(=O)O[C@H](CC#N)c2ccco2)s1 1346705655 ACZIMXZPIHRGLU-GFCCVEGCSA-N 275.329 3.770 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)c1cccc(C)c1 1355589169 JLJNLEDAQRHSFF-UHFFFAOYSA-N 282.318 3.673 30 20 CHED CC[C@@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 1456269894 KYYDIAYYABUBLA-NVXWUHKLSA-N 284.403 3.723 30 20 CHED CCc1cc(Nc2cc(C)c(C#N)cn2)ccc1F 1472778816 GVPAWQAYAZJTAX-UHFFFAOYSA-N 255.296 3.707 30 20 CHED N#CC1(OC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CCC1 1524695568 FLSDJSVQNCJUAH-NSCUHMNNSA-N 296.153 3.996 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@@H](c1ccccc1)c1ccnn1C 1525461898 FUUCLZKJFJKRKO-KSSFIOAISA-N 298.386 3.655 30 20 CHED CCc1nocc1C(=O)Nc1cc2ccccc2cc1C#N 1528748131 PSMHRCLGEYCEOY-UHFFFAOYSA-N 291.310 3.514 30 20 CHED Cc1cc(NC(=O)c2ccc(CC(C)C)cc2)ncc1C#N 1537723549 PSBXPOSGNFIICF-UHFFFAOYSA-N 293.370 3.713 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2ccc(O)cc2)cc1 1559362176 VWSRQWDDJOJQLI-MRXNPFEDSA-N 269.369 3.928 30 20 CHED N#CCC1(CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)CC1 1559492308 LWPOLZRAYBLKIJ-HRCADAONSA-N 272.436 3.971 30 20 CHED N#CCC(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 1566201088 VUVRJSFEWUIUJS-UHFFFAOYSA-N 296.374 3.538 30 20 CHED C#CCCCCCCNc1ccc(C[C@@H](C)C(=O)O)cc1 1588442737 WDOAGHHPYVYYLV-OAHLLOKOSA-N 287.403 3.945 30 20 CHED CC(C)(C#N)CCCCSCc1cncc(C(=O)O)c1 1589553733 JCGJXAZXUASRNU-UHFFFAOYSA-N 292.404 3.733 30 20 CHED CC[C@H](C)[C@H](Sc1ccc(Cl)cc1C#N)C(=O)O 1594928313 GIXAXCLRIHXGPV-UFBFGSQYSA-N 283.780 3.803 30 20 CHED CCCCCCCC[C@H](C)C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1 1605267194 RTWNOUAXKIMNKJ-SOUVJXGZSA-N 297.439 3.695 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C(=O)O)cc2)ccc1C 1610293351 GBAWXNWOPRHRRC-BJMVGYQFSA-N 296.322 3.598 30 20 CHED C[C@H]1Cc2cc(CNc3ccc(Cl)c(C#N)n3)ccc2O1 1612874651 FUFZIZSMGDDDSL-JTQLQIEISA-N 299.761 3.542 30 20 CHED N#Cc1cc(NC(=O)CCF)ccc1Oc1ccccc1 1625775762 WERJNOVWQWKHTD-UHFFFAOYSA-N 284.290 3.649 30 20 CHED N#CCc1ccccc1C(=O)N1CCc2cc(Cl)ccc21 1636903057 GCLQQHAWNMITCF-UHFFFAOYSA-N 296.757 3.609 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@]1(C)CC(C)C 1645784370 VOGBUNRFMKTJHM-SFHVURJKSA-N 286.419 3.967 30 20 CHED C[C@@H]1CSc2ccccc2N(Cc2cccc(C#N)n2)C1 1647044225 OGHKKETXLZYWFV-ZDUSSCGKSA-N 295.411 3.702 30 20 CHED N#Cc1cccc(Br)c1N1CCC[C@@H](CF)C1 1651368433 MLHKKUGZMHHVFS-JTQLQIEISA-N 297.171 3.507 30 20 CHED CCc1nocc1CSc1ccc(C#N)cc1F 1651825889 RMRNXXGXZBNGGY-UHFFFAOYSA-N 262.309 3.540 30 20 CHED C[C@@H]1CCN(CCc2ccc(C#N)cc2)CC12CCC2 1653023291 KBBCEUCQFFHNIS-OAHLLOKOSA-N 268.404 3.613 30 20 CHED Cc1ccc(N(C)C(=O)Nc2ccc(C#N)cc2)cc1 1666945748 CHYGMWFMJSANBX-UHFFFAOYSA-N 265.316 3.535 30 20 CHED C[C@@H](CNC(=O)Nc1cc(C#N)ccc1F)C(C)(C)C 1672126297 WWJKLJHYVJQNOY-JTQLQIEISA-N 277.343 3.501 30 20 CHED CC(C)C1CCC(CNC(=O)NCC(C)(C)CC#N)CC1 1678808781 BSVJNFIDCYSRBS-UHFFFAOYSA-N 293.455 3.688 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cc(F)cc(C#N)c1 1679885551 ULDSOLFOMJDQQH-DGCLKSJQSA-N 289.354 3.645 30 20 CHED O=C(O)c1cc(C=NNc2ccccc2)sc1Cl 1776032831 XJYUKVSFMFQYMK-UHFFFAOYSA-N 280.736 3.546 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(=O)O)c(F)c2)C[C@H]1C 1776074956 DSAHGJVHHPHZNL-VHSXEESVSA-N 278.327 3.748 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 1776783169 GSAFTJXHRVPWSL-QAETUUGQSA-N 293.451 3.992 30 20 CHED Cc1cc(/C=C2\Cc3c(O)cccc3C2=O)cc(C)c1O 11336187 SKYBQHKJGAVZRX-MDWZMJQESA-N 280.323 3.537 30 20 CHED C[C@H](CC(=O)OCc1cc(C#N)ccc1F)c1ccccc1 13158645 HFORVECFRHOQEM-CYBMUJFWSA-N 297.329 3.934 30 20 CHED C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(C#N)cc1 20129737 ZOCIJOHTHNQSJU-SCLBCKFNSA-N 262.356 3.896 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3ccccc32)cc1 20133662 RHPYBEHNBBKHNL-GOSISDBHSA-N 262.356 3.725 30 20 CHED CCN(Cc1cccc(C#N)c1)c1ccccc1C 20557679 GDFSDLTWAGQJGI-UHFFFAOYSA-N 250.345 3.893 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 28700174 UVLMALSBEFMUMA-UHFFFAOYSA-N 272.307 3.964 30 20 CHED CSc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 29403170 ABJIGJCOGRAGIU-UHFFFAOYSA-N 296.395 3.851 30 20 CHED Cc1cccc(Nc2c(C#N)nnc3ccccc23)c1 41529589 DYDDHUHWTODUBO-UHFFFAOYSA-N 260.300 3.554 30 20 CHED Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)c(F)c1 43324496 LYBURCVQVZXNRA-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O 43692988 RTFRRVJKCTXJOR-UHFFFAOYSA-N 280.324 3.599 30 20 CHED C=C(C)CNC(=S)N(C)Cc1cccc2ccccc12 44231030 UQJFRDXDGWYXCS-UHFFFAOYSA-N 284.428 3.722 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)CCCc1cccs1 45250307 TUTSLAFQYCFWRA-UHFFFAOYSA-N 298.411 3.601 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c(C)c1 46440914 DKICVQDLQDLJJQ-CQSZACIVSA-N 289.338 3.670 30 20 CHED CCc1ccc(CN(C)c2snc(Cl)c2C#N)cc1 48544996 UWSVFXZPGYMZPR-UHFFFAOYSA-N 291.807 3.867 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C#N)c1 48682906 CDNZEOMBXMTYJN-ZFWWWQNUSA-N 271.364 3.649 30 20 CHED C=C(C)CN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 57601530 SJWXPNDAIXNNPO-AWEZNQCLSA-N 259.393 3.872 30 20 CHED N#CC1CCN(c2cc3ccccc3c(Cl)n2)CC1 57856128 QJRFOZCKHGVVCM-UHFFFAOYSA-N 271.751 3.628 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])o1 83982118 MARGICTUEWAMFE-VQHVLOKHSA-N 271.272 3.646 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1c(C#N)nnc2ccccc12 88298910 HKXNIXHVGYMBTK-NEPJUHHUSA-N 268.364 3.738 30 20 CHED C=CCCOCCN[C@@H]1CC2(CCC2)Oc2ccccc21 90884069 DTNPFGMKAOWFFG-MRXNPFEDSA-N 287.403 3.615 30 20 CHED Cc1ccccc1CCN[C@@H](C)c1ccc(C#N)cc1 91436939 UEQLFCGYNOOURZ-HNNXBMFYSA-N 264.372 3.760 30 20 CHED C=C[C@H](C)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 92959229 JOLHSNYWEHPSHR-RYUDHWBXSA-N 265.784 3.599 30 20 CHED O=C(/C=C/c1cccc(O)c1)c1c[nH]c2ccccc12 97292628 YXPWTZKNZHIZHV-CMDGGOBGSA-N 263.296 3.770 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)CC1CC1 108981186 XGXYEJGGFOXBTA-NSHDSACASA-N 274.389 3.819 30 20 CHED CC(C)(C)c1nnc(S[C@@H](C#N)C2CCCCC2)o1 115187373 LKKCPCWLTFYEAY-NSHDSACASA-N 279.409 3.932 30 20 CHED C=CCC[C@H](NC[C@H](O)c1ccc(Cl)cc1)C1CC1 119967907 GRVJYTNCXDKFKG-HOTGVXAUSA-N 279.811 3.708 30 20 CHED C=C[C@H](CC(=O)N(C)C(C1CC1)C1CC1)c1ccccc1 122015706 AAMRADBCFXFXLD-CQSZACIVSA-N 283.415 3.993 30 20 CHED CCc1noc([C@@H](C)O/N=C/c2ccc(C(C)C)cc2)n1 123262251 FFZYVRUPNSARAR-YXHQGMJNSA-N 287.363 3.867 30 20 CHED C=C(C)COCCNC1CCC2(CCCC2)CC1 129499595 OUDIATMFOJTDAN-UHFFFAOYSA-N 251.414 3.672 30 20 CHED CCc1ccc(CN[C@H](CCC#N)c2ccccc2)o1 130525439 LKSJSQULVXBKQI-QGZVFWFLSA-N 268.360 3.977 30 20 CHED C=CCCN(CCc1ccccn1)Cc1ccc(F)cc1 132763084 MKPDPQUNYYFGCX-UHFFFAOYSA-N 284.378 3.842 30 20 CHED C=CC1CCN(C(=O)C[C@H](C=C)c2ccccc2)CC1 134039886 YCQUPDNQBCNLCJ-INIZCTEOSA-N 269.388 3.771 30 20 CHED N#Cc1ccncc1N[C@@H]1CCCc2sccc21 135605246 ZOMWKCIJTFDVGV-GFCCVEGCSA-N 255.346 3.504 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 136226408 ZYFHMJRAYZKPRR-CYBMUJFWSA-N 284.281 3.892 30 20 CHED CCCCCCCCCNC(=O)c1cc(C2CC2)[nH]n1 140626758 SYLDAQNRPSLIQS-UHFFFAOYSA-N 277.412 3.768 30 20 CHED C#CCCCCNCc1cccc(OCC)c1OC(F)F 150737503 DUNROWSEBSJRNI-UHFFFAOYSA-N 297.345 3.580 30 20 CHED C=CCC(CC=C)C(=O)NCC1(c2cccc(F)c2)CC1 150808928 VBHCVROYANFJRZ-UHFFFAOYSA-N 287.378 3.742 30 20 CHED CC(C)C[C@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 153448667 DMAKFPFLHMWVPN-DOTOQJQBSA-N 286.419 3.988 30 20 CHED CCc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1 156052872 TVTZIMKUTHEPAD-UHFFFAOYSA-N 297.358 3.790 30 20 CHED C#CCCCCNC(=O)CCCCc1ccc(C)cc1 156145728 DHNCMGIRKADPSN-UHFFFAOYSA-N 271.404 3.628 30 20 CHED N#CCN(Cc1ncc(-c2cccs2)o1)C1CCCC1 156656517 FYXCSRKYPHFABY-UHFFFAOYSA-N 287.388 3.671 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(OC)ccc1OC 156753435 JUJNABZFMYPBNY-UHFFFAOYSA-N 291.391 3.522 30 20 CHED C=CCCN1CCC(CCN2CCCC[C@H]2C)CC1 159051159 NBVYVIUGZIKLDD-MRXNPFEDSA-N 264.457 3.539 30 20 CHED Cc1cccc(CN(CCC#N)Cc2ccco2)c1C 159579085 KVKGNMYZLNOXIW-UHFFFAOYSA-N 268.360 3.812 30 20 CHED CCC(CC)N(CCOC)Cc1ccc(C#N)cc1Cl 162891354 JXUKVCLEMWCSPD-UHFFFAOYSA-N 294.826 3.849 30 20 CHED CC(C)(NC(=O)NCCCCC#N)c1cccc(Cl)c1 172582750 RLHHHLJIJOMWLO-UHFFFAOYSA-N 293.798 3.568 30 20 CHED CCN(Cc1cc(C#N)ccc1F)[C@H](C)c1cccc(O)c1 174613828 MLCGOXZMHWKFCF-CYBMUJFWSA-N 298.361 3.986 30 20 CHED CO[C@@H](C)c1nc(CN(CCC#N)CC(C)(C)C)cs1 175255045 QXKJSDREYZQFDQ-LBPRGKRZSA-N 295.452 3.612 30 20 CHED C=CCCCC(=O)N[C@H](c1ccccc1)c1nccs1 175571651 LVEYCWPWLHKJJQ-OAHLLOKOSA-N 286.400 3.705 30 20 CHED C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1cc2ccccc2s1 175597622 JFKQDPRQRLSLSK-JTQLQIEISA-N 295.367 3.592 30 20 CHED CCC[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1C#N 176431405 SZSWZFNDXAJKPP-SNVBAGLBSA-N 264.756 3.611 30 20 CHED C#CCCCN[C@H](C)c1cccc(C(F)(F)F)c1 178059007 XXSZMLHNSSOKOH-LLVKDONJSA-N 255.283 3.769 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(F)c(OC)cc1F 179681858 YGBPKOHYWNIHJD-SNVBAGLBSA-N 298.333 3.840 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(C)s2)cc1 180451965 FIVHKUDFXHGOEH-MDZDMXLPSA-N 285.368 3.911 30 20 CHED Cc1ccc(N(C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 180665123 ZUOAZUUUAXBDSC-HNNXBMFYSA-N 280.371 3.922 30 20 CHED CC[C@@H](C)N(C)Cc1ccc(C#N)cc1Br 181167795 HBGMZCLIPVBCCT-SNVBAGLBSA-N 281.197 3.551 30 20 CHED CN(C(=O)c1ccccc1Oc1ccccc1C#N)C1CC1 182607230 IPMOXKAKIBGGAM-UHFFFAOYSA-N 292.338 3.585 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)C[C@@H](C)c1nccs1 183156602 YQQGPIHFQLWYHE-OLZOCXBDSA-N 295.452 3.633 30 20 CHED C[C@@H](NCCC[C@@H]1CCCCO1)c1cccc(C#N)c1 183993556 JTRGEAIARVTKFW-PBHICJAKSA-N 272.392 3.558 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC(F)(F)F)cc1 184874307 GIDNIEAMGRUJKT-UHFFFAOYSA-N 285.265 3.717 30 20 CHED CC#CCCCC(=O)Nc1ccc(OCC(F)(F)F)cc1 185023802 RXILDKJFRJDLQE-UHFFFAOYSA-N 299.292 3.760 30 20 CHED CCc1ccc([C@H](CN[C@H]2CCC[C@H](C#N)C2)N(C)C)cc1 185754501 LEBCIPJIOGYQHK-WDSOQIARSA-N 299.462 3.524 30 20 CHED CCc1cccc2c(CCN[C@H]3CCC[C@@H](C#N)C3)c[nH]c12 185832168 AJVOJORTDRXYLF-PBHICJAKSA-N 295.430 3.945 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1ccc(F)nc1)C2=O 186423139 ZVTTUUBRVNOLJE-ZEVOCZHWSA-N 267.303 3.913 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2c(c1)O[C@@](C)(CC)O2 188625255 VWNHTQNTEXIBAS-KRWDZBQOSA-N 287.359 3.572 30 20 CHED N#Cc1cc(NC(=O)c2csc(Cl)c2)ccc1F 189240874 YBXUDRMRBZFSBE-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)c1 191298933 JHTHPHSSGFDYPD-VOTSOKGWSA-N 283.375 3.546 30 20 CHED C=CCNC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 191658488 DSJNVAAOFBOWRA-CQSZACIVSA-N 281.355 3.742 30 20 CHED C=CCN(CCOC)C(=O)Nc1ccc(CCCC)cc1 191893375 VVFZTVNSSSBUSQ-UHFFFAOYSA-N 290.407 3.696 30 20 CHED C#CCCCC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 192068044 LJHRTJDQQXPEPL-UHFFFAOYSA-N 284.359 3.867 30 20 CHED CC(C)N(CC1CCC1)C(=O)Nc1cccc(C#N)c1 194785643 STQSKPQNQFLWLV-UHFFFAOYSA-N 271.364 3.601 30 20 CHED COc1cc(CNc2cc(F)c(F)c(F)c2)ccc1C#N 234899998 FNYOYOAABFGMSB-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C#Cc1cccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c1 236695435 PTYKFSMTNSSRIE-HXUWFJFHSA-N 290.410 3.744 30 20 CHED CCCO[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 246319493 HBOZKAYRFZJDBY-CRAIPNDOSA-N 286.419 3.900 30 20 CHED CC1(C)CCC/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 255309464 SQYCPCACDSVXND-JQIJEIRASA-N 299.414 3.686 30 20 CHED COc1cc(/C=C\C(=O)c2occc2C)cc(OC)c1 255333137 WXYCETOQQCNXIO-PLNGDYQASA-N 272.300 3.501 30 20 CHED CC/C=C(/C)C(=O)Nc1cc(C#N)ccc1NCCC 255558386 UGBWBJUYBXJDDK-SDQBBNPISA-N 271.364 3.675 30 20 CHED COc1cc(/C=C2\CCCC(C)(C)C2=O)ccc1OCC#N 255837666 JMXYDPQZQGMIRJ-SDNWHVSQSA-N 299.370 3.760 30 20 CHED CN(CC1CCCC1)C(=O)Nc1ccc(C#N)cc1Cl 269159576 UDUNPBZVDHOOQZ-UHFFFAOYSA-N 291.782 3.866 30 20 CHED Cc1nnc(-c2cccc(NCC(C)(C)CCC#N)c2)n1C 269492800 JFHJUFXEWUVVDY-UHFFFAOYSA-N 297.406 3.532 30 20 CHED COc1cccc(C2CCN(CCC(C)(C)C#N)CC2)c1 272009615 KALHUWUKRLSEEI-UHFFFAOYSA-N 286.419 3.814 30 20 CHED Cc1ccnc(N2CCC[C@H]2c2cccc(F)c2)c1C#N 273417024 YLFZGYJIWBUWEX-INIZCTEOSA-N 281.334 3.742 30 20 CHED C=C(C)CCSc1nnc(-c2ccccc2F)n1C 274722509 IRYCSVNQRPTFOQ-UHFFFAOYSA-N 277.368 3.680 30 20 CHED C=CCC1(C(=O)NC[C@@H](C)c2ccccc2)CCC1 276537026 DGZHQZABZSCQIM-CQSZACIVSA-N 257.377 3.653 30 20 CHED C=CCC1(C(=O)Oc2ccc3c(c2)CCCC(=O)N3)CCC1 276902632 VXKMOWYLGFPUTQ-UHFFFAOYSA-N 299.370 3.613 30 20 CHED C#CCCCCC(=O)N1CCCC(C)(C)[C@H]1CC=C 278485426 VUXTZIBAQTWFJW-OAHLLOKOSA-N 261.409 3.773 30 20 CHED C[C@H](C[S@](=O)CCCC(C)(C)C#N)c1ccccc1 280061189 STEOIKLHSDHCQQ-AUUYWEPGSA-N 277.433 3.869 30 20 CHED CC#CCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 280750921 SXKBQIODTVFFCE-SWLSCSKDSA-N 293.769 3.645 30 20 CHED C=CCC1(C(=O)N2CCC(C)=C(Br)C2)CCC1 280901919 VXDBWMBEASUTBU-UHFFFAOYSA-N 298.224 3.634 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC(F)F)cc1F 283584025 WUESBFWROLQWEU-MRVPVSSYSA-N 288.269 3.513 30 20 CHED CC[C@](C)(C#N)C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 286278739 CGDJVUNOFNYNQC-IIDMSEBBSA-N 284.403 3.639 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(c2ccnc(C#N)c2)C1 286367290 LEWPIGLTSXZGJT-CXAGYDPISA-N 263.344 3.541 30 20 CHED CC(C)C(C)(C)CNC(=O)c1cc(C#N)ccc1Cl 286884952 WXLUOJCGSFXKPO-UHFFFAOYSA-N 278.783 3.624 30 20 CHED C=CCN(Cc1cnc([C@@H](C)O)s1)CC1CCCCC1 289015409 AIYMOXQDMRRKLL-CYBMUJFWSA-N 294.464 3.765 30 20 CHED CCN(CC#N)C(=O)C1(Cc2cccs2)CCCCC1 290844528 ZIOKBVNJEXNVQL-UHFFFAOYSA-N 290.432 3.613 30 20 CHED COc1ccc2cc(CN(C)C(=O)CCCC#N)ccc2c1 290916883 HCLBEDPYVCMPBV-UHFFFAOYSA-N 296.370 3.501 30 20 CHED C=CCC(C)(C)C(=O)NCCCO[C@H](C)c1ccccc1 292303902 QFJNXUCYERGSHP-OAHLLOKOSA-N 289.419 3.873 30 20 CHED CSCSc1ccc(C#N)c(C(F)(F)F)c1 292792032 ZMAQBWLTIFUMBE-UHFFFAOYSA-N 263.309 3.990 30 20 CHED C=CCC(C)(C)c1nc(C2(COC)CCCCC2)no1 293068530 QMXSHVIJEYXGGH-UHFFFAOYSA-N 278.396 3.772 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 293502906 NHJMSBILIIJVDB-HZPDHXFCSA-N 287.403 3.625 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1)C(F)F 294080858 AYGNFCGRYDKCDV-CYBMUJFWSA-N 282.334 3.600 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(O)c(COC(C)C)c1 294852484 XQSDWVUNVUJBEG-UHFFFAOYSA-N 291.391 3.858 30 20 CHED N#Cc1ccc(NCC2(c3ccccc3)CCOCC2)cc1 301089367 NUUJBKLEVRITBP-UHFFFAOYSA-N 292.382 3.719 30 20 CHED C=C(C)CN1CCC(Nc2cc(C)nc3ccccc23)CC1 301188497 UOWJCFNCMJNBHO-UHFFFAOYSA-N 295.430 3.996 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(c2ncccc2C#N)C2CC2)o1 301230292 AIIRWMQKYWFROW-LRDDRELGSA-N 293.370 3.839 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc(C#N)cc1[N+](=O)[O-] 301369015 ROWYWZBTWCKBOZ-XBFCOCLRSA-N 285.347 3.624 30 20 CHED CN(C)c1ccc(CNc2ccc(F)cc2C#N)cc1F 301394258 DFWNCTMLPURVRL-UHFFFAOYSA-N 287.313 3.515 30 20 CHED CO[C@@H](CNc1ccc(C#N)c(Cl)c1)C(C)(C)C 301424728 KRWFOZCHMKPAEA-ZDUSSCGKSA-N 266.772 3.685 30 20 CHED Cc1cc(Nc2nnc(C)c(C)c2C#N)ccc1OC(C)C 301444621 VFWNAJSFUBLCHG-UHFFFAOYSA-N 296.374 3.804 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1F)Oc1ccc(F)cc1 301473349 QVZASCVWMCAARX-NSHDSACASA-N 288.297 3.716 30 20 CHED N#Cc1nc(N2CCC[C@@H]2C2CCCC2)ccc1Cl 301530147 OZUFDWBMXZAHCY-CQSZACIVSA-N 275.783 3.766 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1cccc(C#N)c1 303516058 DGDYZZGQSAQIBF-GFCCVEGCSA-N 256.349 3.713 30 20 CHED C=CCCCCNCc1cc(O)ccc1Br 309488276 HLQFZJHLYNDMMS-UHFFFAOYSA-N 284.197 3.601 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@H]1C/N=C(/O)C1CCC(=O)CC1 329873373 DTLCNOGURIUIOV-DZGCQCFKSA-N 295.423 3.544 30 20 CHED CC(=O)c1c(C)[nH]c(/C(O)=N/CC(C)(C)C)c1C(C)C 330386967 AVEBUMNIIGALGH-UHFFFAOYSA-N 278.396 4.000 30 20 CHED Cc1cccc(-c2nc(C)c(/C(O)=N/C(C)(C)C)[nH]2)c1 330459081 ITHQCZBGWSVPJB-UHFFFAOYSA-N 271.364 3.797 30 20 CHED CC(C)(C)[C@@H]1CCc2sc(C(=O)NCCC#N)cc2C1 330526903 MFUWLKIJCRCALN-GFCCVEGCSA-N 290.432 3.543 30 20 CHED COCc1nc(/C(O)=N/[C@@H]2CCC(C)(C)C[C@H]2C)cs1 331122643 PEMWNQPXSJZBSM-GHMZBOCLSA-N 296.436 3.809 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 331412773 GIUOXDCVWXJMNS-RRFJBIMHSA-N 291.439 3.536 30 20 CHED CC1=C(C(=O)Nc2sc3c(c2C#N)CCCC3)CCC1 333741255 RIDOSFXATJQBHK-UHFFFAOYSA-N 286.400 3.937 30 20 CHED CC(C)c1ccccc1NC(=O)c1ncc(C#N)cc1Cl 336101193 VTBHUVMVALAVHG-UHFFFAOYSA-N 299.761 3.982 30 20 CHED Cc1cnc([C@H](C)Sc2nc3c(c(C)c2C#N)CCC3)o1 336507066 QGDDAHSPAWATCM-NSHDSACASA-N 299.399 3.900 30 20 CHED CC1CCC(CC(=O)N(C)c2ccccc2C#N)CC1 337849605 IVNKFXDRFUWSHP-UHFFFAOYSA-N 270.376 3.737 30 20 CHED N#Cc1cccc(NC2CC(c3ccccc3Cl)C2)n1 338830063 OSOIMFNBQBAGRP-UHFFFAOYSA-N 283.762 3.965 30 20 CHED Cc1ccc(CNc2ncc(C#N)cc2Cl)s1 339135900 WSYYKEDFTCESPN-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C/C=C\c1ccc(NCc2cc(C#N)n(C)c2)cc1 342312354 WWSDEJHOQVJADP-ARJAWSKDSA-N 251.333 3.542 30 20 CHED CCO[C@H]1C[C@H](Nc2cc(C#N)cc(C)n2)C12CCCCC2 342366182 WKMRIQKLQGPKGZ-HOTGVXAUSA-N 299.418 3.802 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(F)c1F 342758205 VUSVBXMUXVXTDP-UHFFFAOYSA-N 283.318 3.666 30 20 CHED CSCc1ccc(CNc2nc(C)ccc2C#N)cc1 343934566 GBGDQIXXVWZOHT-UHFFFAOYSA-N 283.400 3.737 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cccc(C(F)(F)F)c1 345973194 UPUILCZWBFDAMR-UHFFFAOYSA-N 298.308 3.765 30 20 CHED C=CC[C@H]1N(S(=O)(=O)c2ccsc2)CCCC1(C)C 352079860 QMFSTTJVYNKCEC-CYBMUJFWSA-N 299.461 3.504 30 20 CHED CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 358653059 QDCASVRAFZDGTG-AWEZNQCLSA-N 271.364 3.601 30 20 CHED CO[C@@H]1CCC[C@@H]1CN[C@@H]1CCCCc2cc(C#N)ccc21 360650885 YXQLMGNZMDCFID-BHIYHBOVSA-N 298.430 3.730 30 20 CHED N#Cc1ccc(CN2CCCc3ccccc3C2)cc1F 360724552 CLHXLNXYTYASHS-UHFFFAOYSA-N 280.346 3.646 30 20 CHED C=CCCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 366683733 CHXRFIFIGZTDTR-GFCCVEGCSA-N 274.339 3.722 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@H]1CCOc2ccccc21 372392870 ZCDOAXGIJZOIOP-QGZVFWFLSA-N 292.382 3.556 30 20 CHED Cc1cc(SCCO[C@H](C)C#N)nc2ccccc12 394057427 DBCVFMCMWOLCOH-GFCCVEGCSA-N 272.373 3.564 30 20 CHED N#CC[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 397672577 GBLYNKLSKAXBJT-NSHDSACASA-N 266.747 3.605 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl 410179747 BRXHSNGJSAQQGQ-CYBMUJFWSA-N 295.810 3.840 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 412815463 PPKVPABJHMONKA-SJCJKPOMSA-N 289.375 3.504 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CC(C)(C)C 412840567 NNSIKRMRTPLMQV-HNNXBMFYSA-N 259.393 3.726 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1C=CCC1 412843795 SRTAQVNCMNUGPS-IAGOWNOFSA-N 269.388 3.646 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cc(C)n(C)n1 414298522 IXLWQQRXKJXXJL-NVXWUHKLSA-N 283.419 3.567 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 417372383 VYHCDFQIWMMLBB-XCRHUMRWSA-N 279.387 3.608 30 20 CHED C=CCc1ccc(OCCC(C)(F)F)c(OC)c1 418815596 FHCLLOGDYWNLMW-UHFFFAOYSA-N 256.292 3.848 30 20 CHED N#CCCCOc1cccc(CNC[C@@H]2C[C@H]2C2CCC2)c1 424176343 RULYZZADDQFYEV-HKUYNNGSSA-N 298.430 3.895 30 20 CHED Cc1cc(Cl)cc(C)c1CN[C@@H]1CC[C@H](C#N)C1 424198364 PBGZJJNXOHZOLD-GXTWGEPZSA-N 262.784 3.739 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1sc(C)c(C)c1C#N 425396075 JLLITTOROHNCJZ-UHFFFAOYSA-N 262.378 3.777 30 20 CHED CC#CCCN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 425536071 ODIIPDPVQLWSJS-CYBMUJFWSA-N 294.320 3.833 30 20 CHED Cc1c(C(=O)NC(C)(C)C)sc2ccc(C#N)cc12 429933376 WNNSVMNCKYROGA-UHFFFAOYSA-N 272.373 3.610 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 434420814 IDVZVHRWWZJZGD-NHYWBVRUSA-N 290.794 3.847 30 20 CHED CCCCOc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 442713096 HQXQXOZSSFAAPU-GOEBONIOSA-N 272.392 3.647 30 20 CHED CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@H]1CC[C@@H](C#N)C1 442871363 LKUYZRHSMCZQDI-VZAMPYOESA-N 292.810 3.698 30 20 CHED N#C[C@H]1CC[C@H](Nc2cc(F)ccc2OC(F)F)C1 442876829 YGWYYGPRWJEMPB-WPRPVWTQSA-N 270.254 3.531 30 20 CHED N#Cc1cnc(NCC2(C3CC3)CCC2)c(Cl)c1 443886637 DOTGEUYNJUYLCL-UHFFFAOYSA-N 261.756 3.599 30 20 CHED Cc1cc(CNCc2cnc3ccccc3c2)ccc1C#N 443985827 ZUEOPABVGNDJSN-UHFFFAOYSA-N 287.366 3.705 30 20 CHED CC(C)N(Cc1cc(F)ccc1C#N)CC1CCC1 444774395 VYURGCZECYVCFC-UHFFFAOYSA-N 260.356 3.708 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccc(F)cn2)CCCC1(C)C 444954156 KQMOCUOKKSKDJJ-ZDUSSCGKSA-N 291.370 3.819 30 20 CHED C=CCCCc1nc(-c2ccc(C(C)C)nc2)no1 445511189 DAJNNHVWIYUDDP-UHFFFAOYSA-N 257.337 3.764 30 20 CHED C=C(C)CCNC(=O)CSCc1cccc(Cl)c1 448550451 BVWKTTWIBCSMKJ-UHFFFAOYSA-N 283.824 3.656 30 20 CHED CC(C)CCOc1cccc(NC(=O)[C@]2(C#N)C[C@H]2C)c1 448794075 ARNNMTOMKDYMHF-DYVFJYSZSA-N 286.375 3.600 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 449521852 SRZIJTIYRBMLQV-GLQYFDAESA-N 299.336 3.570 30 20 CHED N#CC1(CN(Cc2cccs2)CC(F)(F)F)CCC1 450635118 IVTAEXANGWQJNZ-UHFFFAOYSA-N 288.338 3.806 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC2(CCCCC2)CC1 451079953 BNJSLBSCDFRKKE-CVEARBPZSA-N 291.435 3.541 30 20 CHED C=CCC1(CN[C@@H](CC)[C@@H]2CCOC2)CCCC1 453354735 HVVCUJZDFBWHAL-CABCVRRESA-N 251.414 3.528 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H](Cc2ccccc2)C1 455314030 RQPJTOMDUZDWDX-QGZVFWFLSA-N 286.419 3.617 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cncc(Cl)c1C 455721963 ZSEQGTFEGZKWSI-JTQLQIEISA-N 281.787 3.910 30 20 CHED C=CC(C)(C)CNC(=O)C(C)(C)Cc1ccccc1 456115041 KECHEBPHKFLMKO-UHFFFAOYSA-N 259.393 3.584 30 20 CHED C=CCC1(CNC(=O)[C@@H]2OCCc3ccccc32)CCCC1 456487526 PPJAVPXHEZCQIU-QGZVFWFLSA-N 299.414 3.553 30 20 CHED C=C(CC)CNC(=O)c1ccc(F)cc1C(F)(F)F 456813560 QUJBWOIBGWXIRH-UHFFFAOYSA-N 275.245 3.541 30 20 CHED CC(C)[C@H]1N(C(=O)Cc2ccc(C#N)cc2)CC12CCCC2 457185285 ZUSHVCVATBOEER-GOSISDBHSA-N 296.414 3.528 30 20 CHED CC[C@H](CC1CCCC1)C(=O)NCC(C)(C)CC#N 457993383 MOBLSKXVUJQZLW-CQSZACIVSA-N 264.413 3.649 30 20 CHED C=C(C)C[C@H](C)C(=O)N(CC)Cc1cccc(F)c1 464537004 WCBHSGWOCFAOKY-ZDUSSCGKSA-N 263.356 3.777 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)c1ccc2ccccc2c1 465116582 WXIXQSYTFHKTLB-CHWSQXEVSA-N 253.345 3.634 30 20 CHED C=C[C@](C)(CC)C(=O)NCCOc1cccc2ccccc12 467954076 YMGLDQWVFACTSY-LJQANCHMSA-N 297.398 3.937 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1ccc(F)c(C#N)c1 468275271 XHXYPJRQZDARJP-OLZOCXBDSA-N 260.356 3.708 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2cc(F)ccc2C#N)C1 469061160 VBIHLVIRUJQLCF-INIZCTEOSA-N 294.373 3.995 30 20 CHED C=CCOCCCN[C@H](C)c1cc2ccccc2o1 470788180 DMMQTYPSOAAQKC-CYBMUJFWSA-N 259.349 3.676 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1cc(Cl)cc(Cl)c1 472782676 CNENCDBBTOIKSE-CQSZACIVSA-N 288.218 3.752 30 20 CHED N#Cc1ccc(Oc2nc3ccccc3cc2[N+](=O)[O-])cc1 473506281 GYOXCSGMCAOKPU-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C=CCCC(=O)Nc1nc2cc(F)c(C)cc2s1 478084284 LDEBCXVMSMCFJU-UHFFFAOYSA-N 264.325 3.649 30 20 CHED C=C(C)CN(C)C(=O)c1cc2c(s1)-c1ccccc1OC2 479294571 ZBJWDZXXYMIRKJ-UHFFFAOYSA-N 299.395 3.956 30 20 CHED C=CCN(C(=O)C[C@@H](C)CC)c1nc2c(s1)CCCC2 479890791 YRXYKJIDHRALQD-LBPRGKRZSA-N 292.448 3.977 30 20 CHED C=C[C@@H](C)N[C@H](C)Cc1ccccc1C(F)(F)F 481664137 XWVGALHBTHPGNT-GHMZBOCLSA-N 257.299 3.801 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1c1ccccc1Cl 483420647 LDBPVQTZFBHBKN-HNNXBMFYSA-N 290.794 3.600 30 20 CHED N#Cc1cccnc1/C=C\c1cc(F)cc(Cl)c1 486104616 QFYSWXNCVYAALA-ARJAWSKDSA-N 258.683 3.916 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@H]1CC1(C)C 486234816 WOWXXQIUQRQNCE-GFCCVEGCSA-N 275.417 3.741 30 20 CHED CCC[C@H](C)CC(=O)Nc1nc2cc(C#N)ccc2n1CC 490773380 LOZSEXFQNCWOCO-LBPRGKRZSA-N 298.390 3.693 30 20 CHED C#CCN(C)C(=O)N[C@H](c1cccs1)C(CC)CC 491800708 AQLYFNQUMIKSPY-AWEZNQCLSA-N 278.421 3.500 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)c2ncccc2C#N)c1 498980590 WIUXSNLVNZQILF-CQSZACIVSA-N 265.360 3.768 30 20 CHED N#CCN(CCSC1CCCCC1)C1CCCC1 500104262 NQWOMNMBAWORAY-UHFFFAOYSA-N 266.454 3.820 30 20 CHED C=CCNC/C(C)=C\c1ccccc1C(F)(F)F 501383193 RFEGQZVEIFVLLG-LUAWRHEFSA-N 255.283 3.884 30 20 CHED C=CCN(Cc1ccc(Cl)s1)CC1(O)CCCC1 504396117 XISDWULUNCDUBX-UHFFFAOYSA-N 285.840 3.695 30 20 CHED Cc1c(C#N)c(SCCCCF)nc2c1CCC2 505442939 ADSOBDBGTGCMNE-UHFFFAOYSA-N 264.369 3.592 30 20 CHED C=C(C)CCc1noc(-c2cc(-c3ccccc3)no2)n1 508622882 ZHMWEHGAABKZOQ-UHFFFAOYSA-N 281.315 3.900 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)C1(C#N)CCCCC1 510544166 HVWDDMMUKXIRRY-CABCVRRESA-N 276.424 3.793 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC=CC[C@H]1C 513480092 WSXPXLQNBRYHPG-UKRRQHHQSA-N 297.402 3.921 30 20 CHED C=CCCCCN1CC[C@@H](c2ccccc2OC)C1 515126354 DVMVMGLFENYZMH-OAHLLOKOSA-N 259.393 3.841 30 20 CHED C=C1CCN(C(=O)[C@@H](CC)Sc2ccccc2)CC1 520352812 FZIUBCXUNPJFMS-OAHLLOKOSA-N 275.417 3.736 30 20 CHED Cc1ccc2[nH]c(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)cc2c1 522648357 HQACDSSHYJZVOK-FZKQIMNGSA-N 295.386 3.679 30 20 CHED C=CCCN1CCC(OCC2CCCCC2)CC1 524755989 FNGNPRJWIVLJGN-UHFFFAOYSA-N 251.414 3.624 30 20 CHED CC(C)[C@H]1CN(CCCCC#N)CCN1Cc1ccccc1 528642572 WZZBUMUBPDWULB-LJQANCHMSA-N 299.462 3.523 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1C 538367952 SOCPKDBNIWZJHM-QLFBSQMISA-N 266.429 3.951 30 20 CHED C=C(CC)CN(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 539104235 PGBUGXXVKPNMIL-HKUYNNGSSA-N 286.463 3.938 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCCC(F)(F)F 539941294 CICCFSOKXJVEMD-UHFFFAOYSA-N 299.336 3.976 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccc(CC)cc1)C1CC1 540135032 TWXVYBDNMGTFBF-AWEZNQCLSA-N 271.404 3.920 30 20 CHED N#Cc1ccc2[nH]c(=NC3CC(c4ccccc4)C3)ccc2c1 541065644 VJQVGDLHMSSSRN-UHFFFAOYSA-N 299.377 3.886 30 20 CHED CC#CCCNC(=O)c1cncc(-c2ccc(Cl)cc2)c1 541746643 QXDCMRYVXMEEST-UHFFFAOYSA-N 298.773 3.545 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1c(C)c2ccccc2n1C 541794960 YIORDJBVZBQLJR-CQSZACIVSA-N 299.418 3.641 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3ccccc3C#N)C2)c1 543247170 UUKPWHMBTVALHH-LJQANCHMSA-N 276.383 3.856 30 20 CHED CC(C)c1cnc(SCc2ccc(CC#N)cc2)n1C 544086190 YRBHIRWLGKCILS-UHFFFAOYSA-N 285.416 3.902 30 20 CHED C=CC[C@@H](CO)NCc1ccc(-c2ccc(CC)cc2)o1 545960868 QDXSEXCLEAXWJB-INIZCTEOSA-N 285.387 3.536 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 546966761 AVPQREFYVFTZHS-UHFFFAOYSA-N 285.303 3.881 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1 548075523 RSLVVKWCGKPEPZ-DLBZAZTESA-N 256.393 3.959 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)NC(=O)CC(C)(C)C)n1 551138434 VRQIXIRTEWLRCK-LLVKDONJSA-N 293.411 3.537 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H](C)CCC 553084629 SMOAQYVRZGPAKW-CQSZACIVSA-N 293.407 3.503 30 20 CHED C=CCCOCCCCC(=O)NCC1(C)CCCCC1 553192566 FALZDNSZJOESNL-UHFFFAOYSA-N 281.440 3.836 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)C1(c2cccc(C#N)c2)CC1 562065891 JLSACHMCAODELM-UHFFFAOYSA-N 298.430 3.778 30 20 CHED Cn1cc(NCc2cccc(C#N)c2)c(C2CCCCC2)n1 562521406 RZNZXOSAGLRFDD-UHFFFAOYSA-N 294.402 3.952 30 20 CHED Cc1ccc([C@@H]2CCCCCN2Cc2ccc(C#N)cn2)o1 564028817 GLEOENCBJBXWTL-KRWDZBQOSA-N 295.386 3.972 30 20 CHED C=CCC(C)(C)C(=O)N1CC(C)(C)[C@H]1c1ccncc1 566278523 DHKFJTLJFJVASF-CQSZACIVSA-N 272.392 3.593 30 20 CHED CCC(CC)[C@@H](C)C(=O)N1CCC(CCC#N)CC1 566563932 QLLMIHYVMMFWAP-CYBMUJFWSA-N 264.413 3.601 30 20 CHED C=CCCCC[C@H](C)NCc1ncc(CC)s1 567057970 YZDDLNGOJHRPKL-LBPRGKRZSA-N 252.427 3.930 30 20 CHED C[C@H](C#N)c1ccc(-c2cccc(C(=O)O)c2)cc1 569225400 KVAQDSXNGCAYBN-LLVKDONJSA-N 251.285 3.679 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CC12CCCC2 571267557 XXCAABYKVZEPHB-IAGOWNOFSA-N 294.398 3.632 30 20 CHED N#CCCC1CCN(Cc2cccc3cc[nH]c23)CC1 578627881 IPSQZXMPZMXXEJ-UHFFFAOYSA-N 267.376 3.684 30 20 CHED C=C(C)CN(CC)C/C=C\c1ccc(F)c(F)c1 580498558 VGOAMAVXMMHEGG-WAYWQWQTSA-N 251.320 3.876 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N(C)c1ccc(-c2ccccc2)cc1 582885790 GPOVZPGHSMRNLP-KUHUBIRLSA-N 290.366 3.866 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)C(=O)CCCCCC#N)C1 588649746 CFIXSDVMGKCWAF-ZIAGYGMSSA-N 282.453 3.593 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C)ccc2F)c1 589052372 ZBPYHWLZLBILGY-UHFFFAOYSA-N 285.318 3.951 30 20 CHED CCC[C@H](CC(C)C)C(=O)N1CCC[C@](C)(C#N)C1 590705951 RUAJJPLRSSGBMP-GDBMZVCRSA-N 264.413 3.601 30 20 CHED C=CCOCC(=O)Nc1cc(Cl)ccc1SC(C)C 591256586 QCDXLVFAJGCFGM-UHFFFAOYSA-N 299.823 3.982 30 20 CHED CCSCC[C@@H](C)N(C)CCc1ccc(C#N)cc1 595378680 PIUJETBPQOPJJK-CQSZACIVSA-N 276.449 3.564 30 20 CHED N#Cc1ccc(C2=CCN(CC3CC=CC3)CC2)cc1 595409611 YINGVQYIWFDOML-UHFFFAOYSA-N 264.372 3.614 30 20 CHED CC(C)(C#N)CCCCN1CCOC(C2CC2)(C2CC2)C1 595822593 XIJBMAKFGNXWTE-UHFFFAOYSA-N 290.451 3.597 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1CCO[C@H](c2ccccc2)C1 596220141 WWKBQZOYXLHOBY-RDJZCZTQSA-N 293.370 3.594 30 20 CHED CC(C)(C#N)CCCSCc1cn(C(C)(C)C)nn1 596385291 WOZVEOMFTQHHOU-UHFFFAOYSA-N 280.441 3.596 30 20 CHED C[C@H](CCC#N)CN[C@H](c1ccccc1)c1ccccn1 602499166 NRLRITPPRKTLRU-CRAIPNDOSA-N 279.387 3.700 30 20 CHED N#CCC1(CN2CCC[C@H]2Cc2ccc(F)cc2)CC1 602767011 HPUCMHDCOWSMJO-INIZCTEOSA-N 272.367 3.526 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@H](C)CC(C)(C)C 604511164 GDZSKDUSFXYWKA-LBPRGKRZSA-N 288.391 3.968 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1Cc1ccccc1C 604900836 POMAHIKGKYYKRR-NVXWUHKLSA-N 286.419 3.676 30 20 CHED C=CCCCN1CCC(CN(C)Cc2ccccc2)CC1 605150342 JYOSGFCFLZRENK-UHFFFAOYSA-N 286.463 3.797 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccc(C)cc1 606916954 ZMPZMAKCSVEALX-UHFFFAOYSA-N 274.408 3.883 30 20 CHED CC(C)n1c(-c2ccc(C#N)o2)nc2ccccc21 610294595 GWZSLYYBVJBJML-UHFFFAOYSA-N 251.289 3.749 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(C#N)cc1F 611541221 HZNXMNUSBDBRFZ-GXSJLCMTSA-N 286.272 3.865 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](CCC)c1ccc(Cl)cc1 612263972 MAIAKVYYTAXHRE-RISCZKNCSA-N 265.784 3.914 30 20 CHED Cc1cc(CS[C@H](C)c2cccc(C#N)c2)nn1C 615465829 GRDXLMZDECXNCC-GFCCVEGCSA-N 271.389 3.595 30 20 CHED Cc1nc(C(=O)Nc2sc(C)c(C)c2C#N)sc1C 618623687 NUXDKCOWZHPMAK-UHFFFAOYSA-N 291.401 3.562 30 20 CHED C=CCC1(NC(=O)c2ccoc2Cl)CCCC1 619110498 GOLHRZOEWOACRD-UHFFFAOYSA-N 253.729 3.552 30 20 CHED CC(C)[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CCO1 619748565 IQMIGIYYSPLJSG-ZBFHGGJFSA-N 292.810 3.505 30 20 CHED C=CCC(C)(C)c1noc(COCc2ccccc2C)n1 621791436 UZSAQUWMGMKKGA-UHFFFAOYSA-N 286.375 3.949 30 20 CHED C=CCN(C(=O)c1cnc([C@H](C)OCC)s1)C(C)(C)C 622944188 IPNAGQQQVQMGQG-NSHDSACASA-N 296.436 3.667 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC(F)(F)C[C@H]1C 623856181 OOOJTDHJTRKQBE-VXGBXAGGSA-N 274.355 3.560 30 20 CHED C=CCC(CC=C)C(=O)N(CC(C)C)c1cnn(CC)c1 636003848 HKUDRRSEOJCZNO-UHFFFAOYSA-N 289.423 3.660 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)c2c(C)noc2C)n1 645629017 DADQVZRTOPKVMY-SECBINFHSA-N 275.352 3.680 30 20 CHED C=CCOc1ccc(CN[C@@H](CC)C2CC2)cc1OC 657680381 JXJFJRGEMUTKPF-HNNXBMFYSA-N 275.392 3.538 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@H](C)c1ccncc1 657901816 XQVKAENTSJOREA-DJIMGWMZSA-N 258.409 3.910 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCc1ccc(C)cn1 658030981 IGVPRSPFGSMXGO-RDJZCZTQSA-N 258.409 3.657 30 20 CHED C=CCCC1(CN[C@H](C)c2ccncn2)CCCC1 658098636 OHWXRDMHBAZCEF-CQSZACIVSA-N 259.397 3.654 30 20 CHED C=C[C@H](CO)N[C@H](C)c1ccc(-c2ccc(F)cc2)s1 658334986 GZUJHOHLQGEHLS-BXUZGUMPSA-N 291.391 3.752 30 20 CHED C=CCCCCN1CCC=C(c2cn(C(C)C)nn2)CC1 660718953 BIWWPSFRCXFGEK-UHFFFAOYSA-N 288.439 3.695 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)c2c(C)noc2C)CCCC1 664117689 JFASAYHNBYHNJM-NSHDSACASA-N 291.395 3.541 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(F)c2)C1 666400809 SJJGCYYESCMUBW-CYBMUJFWSA-N 276.355 3.954 30 20 CHED C=CCC[C@@H](C(=O)NC1CC=CC1)c1ccccc1 681668979 RQWKHKCARKGQFZ-MRXNPFEDSA-N 255.361 3.571 30 20 CHED Cc1cc(C#N)ccc1NCCCc1ncccc1C 693672090 MHNHWPJTLNQOLL-UHFFFAOYSA-N 265.360 3.615 30 20 CHED C[C@@H](Cc1ccsc1)N[C@@H](C)CC(C)(C)C#N 695860261 UJLIBAZSNATJSZ-RYUDHWBXSA-N 250.411 3.597 30 20 CHED C#CCCCCNCc1ccsc1C(F)(F)F 707710141 ZQGZAARERXPZSJ-UHFFFAOYSA-N 261.312 3.660 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1sc(C)nc1C 726737360 PKXYAQRPWXHWMH-JTQLQIEISA-N 273.405 3.835 30 20 CHED CC(CCC(C)C)=NNc1nc(-c2ccccc2)no1 726739839 UWKKINBFSHTZSC-UHFFFAOYSA-N 272.352 3.961 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@@H]1CCCC)C(C)C 727945359 OSHMKXXVJHJJJT-LSDHHAIUSA-N 266.429 3.951 30 20 CHED C#Cc1ccc(C(=O)N(c2ccc(Cl)cc2)C(C)C)nc1 728821027 ALFPANDZNLPVGF-UHFFFAOYSA-N 298.773 3.772 30 20 CHED C=CCCOC(=O)CCc1ccc2ccccc2c1 729074295 PJLVSIHBYLHOKI-UHFFFAOYSA-N 254.329 3.892 30 20 CHED CCC(=NN=c1cc[nH]c2ccccc12)c1ccc(O)cc1 730147430 FLSWIGGTLOJJDM-UHFFFAOYSA-N 291.354 3.589 30 20 CHED CC(C)CN(C(=O)OC(C)(C)C)c1ccc(C#N)cc1 731148745 ZZCBLPRQXYPHEQ-UHFFFAOYSA-N 274.364 3.956 30 20 CHED C=CCCC(=O)OCC(=O)c1c(C)cc(C)c(C)c1C 731721216 JUXBKZZOMYUHNL-UHFFFAOYSA-N 274.360 3.612 30 20 CHED C#CCCOc1ccc(CN[C@@H]2CCC[C@@H](C)C2)cc1 733324090 IFXFITPXNNYROP-NVXWUHKLSA-N 271.404 3.757 30 20 CHED C=CC[C@H](NC(=O)NCc1ccccc1C)c1ccncc1 734654250 RWGAVBCHOZTABR-KRWDZBQOSA-N 295.386 3.507 30 20 CHED CCc1ccc(CON=Cc2ccccc2F)cc1 735302660 BJSZTZOKTIQBAU-UHFFFAOYSA-N 257.308 3.939 30 20 CHED N#Cc1cc(NC(=O)/C=C\C2CCCCC2)ccc1F 735439873 YQPOERVTHXAGMT-TWGQIWQCSA-N 272.323 3.772 30 20 CHED O=C(/C=C/c1cccc(Br)c1)c1cncs1 735792519 GEADGCWEAKGRKY-SNAWJCMRSA-N 294.173 3.802 30 20 CHED Cc1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1F 739421819 PTKXEGKYKNPILN-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CCCCCCCN1CC[C@H](N2CCCCC2)C1 740877537 HICWCDAMAYHSFC-INIZCTEOSA-N 252.446 3.517 30 20 CHED COc1cccc(/C=N/[C@@H]2C[C@@]2(C)c2ccccc2)c1O 741465343 UOQLYNJBFLMMPW-YMTWKCNESA-N 281.355 3.550 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cccs1 743451792 LRGCCENDKQMPJR-UHFFFAOYSA-N 251.742 3.633 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1ccccn1)c1cccc(Cl)c1 744025773 NIVCSXIRCVLFPN-SMDDNHRTSA-N 284.746 3.715 30 20 CHED C=C(C)CCOC(=O)CCC(=O)c1cc(C)ccc1C 744303401 YUUKDBLQINSLBA-UHFFFAOYSA-N 274.360 3.776 30 20 CHED C=CCCCC(=O)O[C@H](CC)C(=O)c1ccccc1 748239445 GRJNTYUASRAWJO-CQSZACIVSA-N 260.333 3.547 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@@H](SCC)C1)C(C)C 748968134 MZPGLBXQLQACCP-UONOGXRCSA-N 284.469 3.657 30 20 CHED CCC/C=C\C(=O)N[C@@H](CCC#N)c1ccccc1 749045211 JSPNGZOSUHDOQM-LGVHXXEASA-N 256.349 3.504 30 20 CHED CCCCCCCCCC(=O)N1CCOC[C@H](C)C1 754203397 UOUHFMJFRDJWME-OAHLLOKOSA-N 269.429 3.622 30 20 CHED C#CCN[C@@H](c1ccc(OC)cc1)c1ccccc1Cl 754310020 WVCINNDBYGWCCK-KRWDZBQOSA-N 285.774 3.661 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)CSc1ccc(F)cc1 756719316 XAYQDUFKTBNYSC-VIFPVBQESA-N 288.771 3.850 30 20 CHED C#CC[C@@H](NCc1cc(F)ccc1F)c1ccccc1 756995914 MIALDZGOYDXXLE-QGZVFWFLSA-N 271.310 3.819 30 20 CHED C#CC[C@H](NCc1ccc(C)c(F)c1)c1ccccc1 756996023 CPWXHPILDRLIIO-SFHVURJKSA-N 267.347 3.988 30 20 CHED CC(=NNc1nccc2sccc12)c1ccc(O)cc1O 757461889 SKFTZPJDDOMABG-UHFFFAOYSA-N 299.355 3.544 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc(OC)cc2O)c1 757473331 VXCAJBDRJHFHGR-JXMROGBWSA-N 298.338 3.696 30 20 CHED Brc1cncc(NN=C/C=C/c2ccco2)c1 758120992 XKSPXYJPWPVVNJ-AIZBKRNTSA-N 292.136 3.548 30 20 CHED CC(C)c1ncc(C=NNc2cnnc3ccccc23)s1 758369616 HSSVIYMOUKIPJF-UHFFFAOYSA-N 297.387 3.656 30 20 CHED CC(C)CSCCCOC(=O)c1ccc(CC#N)cc1 758681139 YVDJFRZFAXARDU-UHFFFAOYSA-N 291.416 3.689 30 20 CHED CC[C@@H](C)[C@@H](C(=O)Nc1ncc(C#N)s1)c1ccccc1 759132615 ZMKVTCUWSYJNLB-BXUZGUMPSA-N 299.399 3.783 30 20 CHED C#CCCCC(=O)Oc1cc(C)c(Br)c(C)c1 759337530 KXWAFMJRPGMHDZ-UHFFFAOYSA-N 295.176 3.775 30 20 CHED C/C(=C/C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 759357273 JGYOMDKELVRNDA-LCYFTJDESA-N 295.313 3.844 30 20 CHED C#CCCCC(=O)O[C@H](C)c1ccc(Br)cc1 759461108 FDNRLJPWFHYEIK-LLVKDONJSA-N 295.176 3.857 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(-n3cccn3)c2)cc1 760264179 KRWWVSXXGGVARR-YFHOEESVSA-N 299.333 3.640 30 20 CHED C#CCOCCN(C)[C@H](C)c1ccc(Cl)cc1Cl 761107518 FXALOCVAZJDNDU-LLVKDONJSA-N 286.202 3.636 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1cc(F)ccc1C#N 761492569 UALIWQPLRCLDTE-LLVKDONJSA-N 277.339 3.813 30 20 CHED COc1ccc(C=NNc2nccc3sccc23)s1 763168274 CUCJHDKAZKDJHL-UHFFFAOYSA-N 289.385 3.812 30 20 CHED C#CC[C@H](OC(=O)c1cc(C)cc(Cl)c1)c1ccccn1 763506051 XPHGNYHZHYWDGP-INIZCTEOSA-N 299.757 3.965 30 20 CHED C[C@@H](C(=O)OCCCOc1cccc(C#N)c1)C(C)(C)C 763970979 SGGMHEXGDQDKCM-ZDUSSCGKSA-N 289.375 3.553 30 20 CHED Cc1cc(OC(=O)CSCCC(C)C)ccc1C#N 765095202 SZHSFNPLHJRDKM-UHFFFAOYSA-N 277.389 3.551 30 20 CHED Cc1cccc(C)c1NC(=S)NN=C[C@@H](C)CCC#N 765993088 JXJAILKEUOLCDB-NSHDSACASA-N 288.420 3.516 30 20 CHED C=CC[C@@H](N[C@H]1CCc2ccc(OC)cc21)c1ccncc1 766023013 ZFQQYXMFPSUYFM-MOPGFXCFSA-N 294.398 3.985 30 20 CHED C#CCC(C)(C)C(=O)OCc1csc(CCCC)n1 767643409 IHTGCEFQKQIFDG-UHFFFAOYSA-N 279.405 3.578 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1CCCCC 767960156 RSXKWSIBXXGZAD-OAHLLOKOSA-N 264.413 3.544 30 20 CHED C[C@@H](CC(=O)OCC1(C#N)CCC1)C1CCCCC1 768104363 CIDCRFPALQUPFP-ZDUSSCGKSA-N 263.381 3.830 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cc(O)ccc1O 769826554 GOEMRVQBMZZPES-UHFFFAOYSA-N 294.713 3.726 30 20 CHED C#CCOc1ccc(-c2nc(-c3cscc3C)no2)cc1 771527116 SXDSQOZEJRFHJD-UHFFFAOYSA-N 296.351 3.786 30 20 CHED C=CCN(C(=O)/C=C(\C)c1cccc(Cl)c1)C1CC1 771818928 NTCRZFQUZCZZPS-ZRDIBKRKSA-N 275.779 3.920 30 20 CHED N#Cc1ccc(-c2ccn(CC3CCCC3)n2)cc1 771864963 VLWXMDLJGYTGJF-UHFFFAOYSA-N 251.333 3.612 30 20 CHED C#CCOc1ccccc1NCc1cc(F)ccc1C 775359948 KBJNLUTWNDSNHJ-UHFFFAOYSA-N 269.319 3.758 30 20 CHED C#C[C@H](N[C@H](CC)c1cccc(Cl)c1)[C@H]1CCCO1 775573233 XSHBTRRJMAUDEK-OWCLPIDISA-N 277.795 3.562 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCc2c(Cl)cccc21)C(C)(C)C#N 776099410 PVOMNSSSVRPUSS-ZWNOBZJWSA-N 291.778 3.851 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1ccc(Cl)nc1 776199919 AYWJMDHSDVPQJC-JTQLQIEISA-N 283.828 3.766 30 20 CHED Cc1nc(CC(C)C)c(C(=O)OCCC(C)(C)C#N)s1 776391701 JMIOPEDMJHVUPE-UHFFFAOYSA-N 294.420 3.747 30 20 CHED CC(=NOC1CCCCC1)c1cccc([N+](=O)[O-])c1C 777457622 YYNBOCCCCCDLMD-UHFFFAOYSA-N 276.336 3.977 30 20 CHED Fc1cc(NN=Cc2cccc(-c3ccccn3)c2)ccn1 781126636 DMHIGKHSYQTNSJ-UHFFFAOYSA-N 292.317 3.729 30 20 CHED CC[C@H](C)[C@H](C)C(=O)OCc1ccc(C#N)cc1Cl 784243691 MZXNXUXCAJCAOT-QWRGUYRKSA-N 279.767 3.937 30 20 CHED C#CCCCCC(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 784522428 OSIQAWDWZOKSAW-GFCCVEGCSA-N 292.762 3.648 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C/Sc1ccccc1 785857625 NVWLYHAWHCAHOH-CMPYXILNSA-N 273.401 3.860 30 20 CHED Cc1cc(C)c(COC(=O)c2ccc(CC#N)cc2)c(F)c1 785922990 WJYNYRXQYWCEJB-UHFFFAOYSA-N 297.329 3.866 30 20 CHED CC[C@H](OC1CCCC1)C(=O)O[C@H](C#N)C1CCCCC1 785942068 SOEGPLKSTVIVPM-JKSUJKDBSA-N 293.407 3.740 30 20 CHED C=CCCN(C)CCC1CCN(C(=O)OC(C)(C)C)CC1 786579945 WEXVMTNJPPCPLJ-UHFFFAOYSA-N 296.455 3.532 30 20 CHED c1ccc(CON=C2CCC3(CCCO3)CC2)cc1 788014566 FGHHOXOQZNBDOF-UHFFFAOYSA-N 259.349 3.682 30 20 CHED C#CCC1(C(=O)O[C@H](C)c2cccnc2)CCCCC1 788216182 MUHZXUCFLBWSSG-CQSZACIVSA-N 271.360 3.660 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNCCc1ccccn1 789105123 MLGKYCXRCUOMIM-UHFFFAOYSA-N 287.794 3.518 30 20 CHED CC1(C)CC[C@@H](C(=O)[C@H](C#N)c2cnc3ccccc3n2)C1 792110831 UOGSXSJSDOYVAQ-CHWSQXEVSA-N 293.370 3.632 30 20 CHED C[C@H](NN=Cc1c[nH]c2cccc(F)c12)C(C)(C)C 793117037 WNZRSTFCXKGTOQ-JTQLQIEISA-N 261.344 3.665 30 20 CHED CCn1c(C(C)=NN[C@@H](C)C(C)(C)C)nc2ccccc21 793118043 ZSBLLUGUWHJZEB-ZDUSSCGKSA-N 286.423 3.804 30 20 CHED CC[C@H](C)CON=CC(C)(C)N(C)C(=O)OC(C)(C)C 793163254 IAABIMRWJLVZRB-LBPRGKRZSA-N 286.416 3.680 30 20 CHED Clc1cccc(NN=CC2Cc3ccccc3C2)n1 793173510 AMFYVYCXWKWEMS-UHFFFAOYSA-N 271.751 3.548 30 20 CHED CSCCON=C1C[C@H](c2ccccc2)C1(C)C 794577553 WPSAWZHNTUJEOH-CYBMUJFWSA-N 263.406 3.936 30 20 CHED Cc1nc(C(C)C)oc1C(=O)O[C@@H](C#N)C1CCCCC1 796183399 KMWBNXTUXBTFQT-ZDUSSCGKSA-N 290.363 3.736 30 20 CHED CCOc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1F 799319638 JHIRVEWACUMVER-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CC(C)(C)c1ccc(NN=C2CC(=O)N3CCCC[C@@H]23)cc1 799485716 UUBDLDWTOPMHRH-INIZCTEOSA-N 299.418 3.537 30 20 CHED c1ccc(NN=C2CCC[C@H](c3cccnc3)C2)nc1 799869033 GIEWNODMGCPDCR-ZDUSSCGKSA-N 266.348 3.602 30 20 CHED CCCC[C@@H](C)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 800382369 DRIYMYPXQMLYPC-NEPJUHHUSA-N 269.348 3.565 30 20 CHED C[C@@H]1CC[C@@H](C=Nn2c(S)nnc2-c2ccccc2)C1 800807076 QITVTTXRKWCHEM-VXGBXAGGSA-N 286.404 3.504 30 20 CHED N#Cc1ccc(CNc2ccc(OC(F)F)cc2F)cc1 800877223 DFRDFTUJDKCZEJ-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CCC(=CC(=O)NCc1ccc(C#N)c(Cl)c1)CC 801071069 WCQPLDNFGNHWTQ-UHFFFAOYSA-N 276.767 3.574 30 20 CHED C=CCCC(=O)OCC(=O)c1cccc(Cl)c1Cl 801833254 DXATVHMEZNXOPC-UHFFFAOYSA-N 287.142 3.686 30 20 CHED C=CCCCCCCNC(=O)c1cccc(N(C)C)c1 805218678 JNNHTYRECDTWHA-UHFFFAOYSA-N 274.408 3.619 30 20 CHED C#CCCN(C)[C@H](C)Cc1ccccc1C(F)(F)F 805772368 IOQWMMFCRLLTIV-GFCCVEGCSA-N 269.310 3.592 30 20 CHED C=CCCCCCCNC(=O)N[C@@H]1CCOC2(CCC2)C1 806003857 IKIMAATVLUIKRV-OAHLLOKOSA-N 294.439 3.524 30 20 CHED COc1ccc([C@@H](C)/N=C/c2ccccc2O)c(C)c1OC 806552181 QHMCEWDJUUBYLK-OTGIAGGSSA-N 299.370 3.898 30 20 CHED C=C(C)CNC(=S)N1CC(C)(C)[C@@H]1c1cccs1 806604838 FZDMYNGNUQKIIF-LBPRGKRZSA-N 280.462 3.582 30 20 CHED COCCOCc1ccc(C=NNc2ccc(C)cc2)cc1 807943396 LVKVPFTYRDSAAO-UHFFFAOYSA-N 298.386 3.604 30 20 CHED C(=NNc1nccnc1C1CCC1)c1cc2ccccc2[nH]1 807994770 YDCXCNGZRQDQQZ-UHFFFAOYSA-N 291.358 3.671 30 20 CHED c1nc(NN=C2CCCCCCCCCCC2)n[nH]1 807996090 UREQWTQWRFCGRB-UHFFFAOYSA-N 263.389 3.877 30 20 CHED CCC[C@@H](C(=O)[C@H](C#N)c1nc(C)cs1)c1ccccn1 810519601 IEBWMJBEPUSHDJ-OLZOCXBDSA-N 299.399 3.607 30 20 CHED CC(=NNC[C@H]1CCSC1)C12CC3CC(CC(C3)C1)C2 811661371 JTZBNZUTGMUCBP-CWJHNBGESA-N 292.492 3.921 30 20 CHED CC(=NOC/C=C/Cl)c1cnc2ccsc2c1 811668397 FRULWBDVEUUIAA-YXUJRQQPSA-N 266.753 3.789 30 20 CHED O=C(/C=C/c1cc(O)cc(C(F)(F)F)c1)c1cscn1 811693778 MNSYRPKFCRYSLY-OWOJBTEDSA-N 299.273 3.764 30 20 CHED CCN(Cc1ccc(N(C)CCC#N)cc1)CC(C)(C)C 812794380 BDDAGGCVIHLGBT-UHFFFAOYSA-N 287.451 3.904 30 20 CHED CC[C@H](C)CONc1nc(C(C)(C)C)ccc1C#N 813623114 VTTNORJRVJCFSS-NSHDSACASA-N 261.369 3.640 30 20 CHED C=CCC(C)(C)COC(=O)c1ccc(-c2n[nH]c(C)n2)cc1 814002724 CYPGDZPMQQXWSB-UHFFFAOYSA-N 299.374 3.539 30 20 CHED CC(=NOCC1CC1)c1sccc1Br 814244115 DYXYFTKMDHXLST-UHFFFAOYSA-N 274.183 3.661 30 20 CHED CCC(=NNc1cccc(F)c1)c1ccc(F)cn1 814815336 URFAJANPYHRFJI-UHFFFAOYSA-N 261.275 3.586 30 20 CHED C=CCCC(CCC)=NNc1ncccc1[N+](=O)[O-] 814870616 KWQNYJYLWQPYSF-UHFFFAOYSA-N 262.313 3.524 30 20 CHED C(=NNC[C@@H]1CCSC1)c1ccc(C2CCC2)cc1 814935530 NJSIRLSVPHPQND-AWEZNQCLSA-N 274.433 3.631 30 20 CHED C[C@@H]1CCC(=NNc2nnc(-c3ccccc3)s2)C1 814949052 RJWWTQNHLJARLR-SNVBAGLBSA-N 272.377 3.793 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OC(C)C)cc1 815038023 CZCTVDBEGCAJIT-UHFFFAOYSA-N 269.291 3.624 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CC2CCC1CC2 816016758 ZQVFFJAOWLTNFV-URGYJCLVSA-N 298.386 3.742 30 20 CHED CC(C)CO[C@H]1CC(=NN[C@H](C)c2ccncc2)C1(C)C 819815282 OQMOERYRYRXHOT-CJNGLKHVSA-N 289.423 3.559 30 20 CHED C=C(C)[C@H](CC(=O)OCC[C@@]1(C)C[C@]1(F)Cl)OCC 822048355 IVEORTQCRFCRHW-FPMFFAJLSA-N 292.778 3.606 30 20 CHED C#CC1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1 831062075 BJOZJOUZXWBXOA-UHFFFAOYSA-N 284.403 3.861 30 20 CHED C#CCCCCC(=O)Oc1ccc2ccccc2c1OC 833985249 UMCFSVDRQNCWDF-UHFFFAOYSA-N 282.339 3.947 30 20 CHED CCCCc1ccc(C(=O)/C=C\c2c(C)nnn2CC)cc1 834408700 MRVWFZXAKDYHNX-SEYXRHQNSA-N 297.402 3.845 30 20 CHED CCc1nocc1/C=C1/COc2c(C)cc(C)cc2C1=O 834417484 QKPXCBFCXNRDDO-QPEQYQDCSA-N 283.327 3.513 30 20 CHED C#CC[C@H](OC(=O)[C@H](CC)CC(F)(F)F)c1ccccn1 835135019 ZZUGKFMLNKJLDF-YPMHNXCESA-N 299.292 3.668 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)/C=C/c1ccccc1C#N 837228533 JRWQSZBIJFHUIC-LXKVQUBZSA-N 270.376 3.512 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)c1ccccc1SCC#N 837229449 ZSOZQWKHDVAWLE-GFCCVEGCSA-N 290.432 3.857 30 20 CHED CC(C)[C@@H](CNC(=O)C#CC(C)(C)C)c1ccccc1 837342330 STZMUTFIVJRRSH-MRXNPFEDSA-N 271.404 3.592 30 20 CHED COc1ccccc1[C@@H]1CCCCN1C(=O)C#CC(C)(C)C 837400245 PTKQAVGKBUDJOT-INIZCTEOSA-N 299.414 3.798 30 20 CHED C=CCC(C)(C)C(=O)OC[C@]1(C)CC1(Cl)Cl 837741614 JKWWCFVKHWTLFO-NSHDSACASA-N 265.180 3.716 30 20 CHED C#CCC[C@H](C)OC(=O)c1oc(-c2ccccc2)nc1C 839043581 SGMWYVPMMJXDCU-LBPRGKRZSA-N 283.327 3.609 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc3cccnc3s2)C1 839055220 FKIDRBKWCGUDCV-JQWIXIFHSA-N 286.356 3.535 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)c1csnn1 840885748 HARXXUISQWXCLZ-NWDGAFQWSA-N 253.415 3.714 30 20 CHED CCOc1ccc(NN=C(C)CCCCC#N)cc1 841639349 BAEYXUCFTQXPHT-UHFFFAOYSA-N 259.353 3.957 30 20 CHED C#C[C@@H](OC(=O)[C@H](SCC)C(C)C)c1ccccc1 842389779 NHTFZLUBKNGJLV-HUUCEWRRSA-N 276.401 3.682 30 20 CHED CCCCCCCC(=O)N[C@H](CCO)c1ccccc1F 844051063 XMNBQTPTSZYUST-MRXNPFEDSA-N 295.398 3.726 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](CC(C)C)c1ccccc1 844283819 HRVZEWNECQVVGV-HIFRSBDPSA-N 276.380 3.579 30 20 CHED C#CCCCCNC(=O)c1coc2ccc(Cl)cc12 844424849 KXDKCAHLJAEYPV-UHFFFAOYSA-N 275.735 3.620 30 20 CHED C=CCCCCOC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F 845317325 UVNSFUHSYWSOEU-VXGBXAGGSA-N 294.313 3.634 30 20 CHED C=CCC1(C(=O)NCc2cc(Cl)ccc2O)CCCC1 846477693 VFHJAJKGWURHEC-UHFFFAOYSA-N 293.794 3.798 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccccc1OCCC(C)C 847207484 SNPJGMKXWXJSGQ-CYBMUJFWSA-N 292.379 3.739 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)[C@@H]1CCCC[C@H]1C 848413927 FNCQGHMBFSHNKA-MLGOLLRUSA-N 288.391 3.928 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\CCc2sccc2C1=O 849245109 DFJVRPUPBSSPGW-DHZHZOJOSA-N 284.384 3.572 30 20 CHED C=C[C@H](CC(=O)OCC[C@H](C)C(C)=O)c1ccccc1 849748736 KILSQLBXZPCGNC-DZGCQCFKSA-N 274.360 3.505 30 20 CHED C=CCCSCCN[C@H](C)c1cccnc1Cl 850503881 OSLGISWXFGZDDK-LLVKDONJSA-N 270.829 3.695 30 20 CHED CCCCCCCC(=O)O[C@H](C)c1cn(C(C)C)nn1 851244020 ZMDHSSSNNGMWSD-CYBMUJFWSA-N 281.400 3.824 30 20 CHED N#Cc1c(F)cccc1SCCC1SCCS1 853021854 YHPBBZAGBQVJLZ-UHFFFAOYSA-N 285.434 3.986 30 20 CHED CCOC1CCC(=NOCc2ccc(F)cc2)CC1 853333235 FROMUWXOCUMHGY-UHFFFAOYSA-N 265.328 3.677 30 20 CHED CC(C)c1cccc(C=NN[C@@H](C)C(F)(F)F)c1 853354199 ZBMXFDQPOLQFLL-JTQLQIEISA-N 258.287 3.684 30 20 CHED COCCCOc1ccc(-c2ccc(OCC#N)cc2)cc1 854207778 ZMFMNWFEKIDYLK-UHFFFAOYSA-N 297.354 3.671 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C(/C)c1cccs1 857196238 OLSVISFSPWWPCC-YLGBQOPLSA-N 261.390 3.719 30 20 CHED CCCc1ccc(C=NN[C@H](C)c2ccncc2)s1 857211445 UMSDTTNMIMMKQI-GFCCVEGCSA-N 273.405 3.780 30 20 CHED CCCCCCCCNC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 857859675 GOZKYEDCTIAZRB-ZFWWWQNUSA-N 291.439 3.552 30 20 CHED CCCCCCCNC(=O)C(C)(C)c1c(C)noc1C 862357602 ZQQVZNGVSMJDIG-UHFFFAOYSA-N 280.412 3.656 30 20 CHED C=CC[C@H](NC(=O)c1sc(C)cc1C)c1ccncc1 865891922 VQVVRJNTDAJKKJ-AWEZNQCLSA-N 286.400 3.807 30 20 CHED C#Cc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)cc1 877847175 QTNHTSMVOMJUSH-INIZCTEOSA-N 296.757 3.518 30 20 CHED CC(=O)[C@](C#N)(CCN1CCC[C@H](C)[C@@H]1C)c1ccccc1 878129522 KJUDRQHIKMUKLO-TXPKVOOTSA-N 298.430 3.547 30 20 CHED CC(=O)[C@@](C#N)(CCN1C[C@@H](C)CC1(C)C)c1ccccc1 878158507 IFTSUDAFYNCRMY-KXBFYZLASA-N 298.430 3.547 30 20 CHED N#CCC1(CN2CCC(c3ccc(F)cc3)CC2)CC1 878176421 HITVZBBKIMKCOA-UHFFFAOYSA-N 272.367 3.699 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)CCCCCC#N 891385218 XQHWVDDLNUVFRR-UHFFFAOYSA-N 270.376 3.612 30 20 CHED Cc1nn(C(C)C)c(C)c1CNc1cccc(C#N)c1 891442579 SEZKDUHFIGYAHD-UHFFFAOYSA-N 268.364 3.565 30 20 CHED Cc1cc([C@@H]2CCCN2c2ccc(C#N)cc2Cl)no1 891703565 ZTWWXNLBMCQZFC-HNNXBMFYSA-N 287.750 3.850 30 20 CHED N#CC1(CNc2ccc(-c3ccccc3Cl)nn2)CC1 893651176 HWTONCIBBKUVMS-UHFFFAOYSA-N 284.750 3.513 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(C(C)(C)C)co1 899213620 GKNVZVXQPPIKFY-SNVBAGLBSA-N 250.342 3.513 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc3c(c2)C[C@H](C)O3)cn1 899350917 UCQPIYTVUAXJRC-AGLBCWCQSA-N 296.370 3.684 30 20 CHED C=C1CCC(C(=O)Nc2ccc(C)c(O)c2C)CC1 901067311 KMUFWBSNKJLUQF-UHFFFAOYSA-N 259.349 3.694 30 20 CHED CCCSCC(C)=NNc1nccnc1C1CCC1 901239675 UZRQSRFWRHFBTD-UHFFFAOYSA-N 278.425 3.675 30 20 CHED CCn1cncc1/C=C/C(=O)c1ccc(OC(C)C)cc1 901437858 INCDXIBUWSPVFE-JXMROGBWSA-N 284.359 3.586 30 20 CHED CCCOc1ccc(/C=C2\CCn3ccnc3C2=O)cc1C 901534790 DYIWTSGQNAWDTN-NTCAYCPXSA-N 296.370 3.650 30 20 CHED CCn1ccnc1C(=O)/C=C/c1ncc(C(C)(C)C)s1 901557380 QSPJEGBRTHAUFX-VOTSOKGWSA-N 289.404 3.553 30 20 CHED CCSc1cccc(/C=C2\C(=O)c3nccn3[C@@H]2C)c1 901564117 FAQCDXCATAYRCC-UXEDPAHQSA-N 284.384 3.836 30 20 CHED CNc1ccc(C)cc1CNC1(c2cccc(C#N)c2)CC1 902402835 OCKUBCIOVWROBE-UHFFFAOYSA-N 291.398 3.687 30 20 CHED CC[C@H](N[C@H](C)CC(C)(C)OC)c1cccc(C#N)c1 902819612 JDSOOSQPVBLZEV-CJNGLKHVSA-N 274.408 3.803 30 20 CHED N#CC1(CN[C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 903107043 ZNHARLDTGHNVFT-ZFWWWQNUSA-N 274.795 3.869 30 20 CHED C=C[C@H](CC)Cc1nc(-c2ccc(Cl)cn2)no1 904156398 YUQUMBIMGDJHCH-SECBINFHSA-N 263.728 3.540 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccc(F)cc2C)no1 904596094 FDZZJSQQQXOUJL-CYBMUJFWSA-N 275.327 3.540 30 20 CHED C=C[C@H](CC)CC(=O)OCCc1noc2ccccc12 909526543 ZGCPXGZQWMAWPP-GFCCVEGCSA-N 273.332 3.516 30 20 CHED CC(C)OCc1ccccc1C/N=C\c1ccccc1O 914556981 KFOBPMPPMHMBOH-UNOMPAQXSA-N 283.371 3.936 30 20 CHED O=[N+]([O-])c1cccc(C=NNc2nccc3sccc23)c1 915979516 HSEPTHVCIOKIDA-UHFFFAOYSA-N 298.327 3.651 30 20 CHED COc1ccc(C=NNc2cccc(Cl)c2)cc1OC 916269436 NXNLBNDXIOQCCW-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CCCCCCC[C@H](C)CNc1ccc2nncn2n1 917523349 QCNUQZJZKAUVCQ-ZDUSSCGKSA-N 275.400 3.533 30 20 CHED CC(=NNc1ncccc1Cl)c1cc(C)oc1C 917548504 AGRPAMANDOKJEI-UHFFFAOYSA-N 263.728 3.781 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1ccccc1Cl 920832777 YRQPPXRKKPTHBW-HJWRWDBZSA-N 274.751 3.586 30 20 CHED COc1ccc(O)c(/C=N\Cc2cccc(Cl)c2)c1 920942878 SHTCSSSNEAUTND-YVLHZVERSA-N 275.735 3.673 30 20 CHED Cc1ccccc1/C=C1\Cc2c(F)cccc2C1=O 921263592 HGHKHULAPBKCNE-UKTHLTGXSA-N 252.288 3.957 30 20 CHED C[C@H]1Cc2cc(CN[C@H](C)c3ccc(C#N)cc3)ccc2O1 921516983 WXZRGBXRZSINLQ-UONOGXRCSA-N 292.382 3.732 30 20 CHED CCC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccccn1 924946328 NAGIFFYRDFEKDN-UKRRQHHQSA-N 259.397 3.841 30 20 CHED CN(CCCCC1(C#N)CCC1)CCC(=O)OC(C)(C)C 929829382 RYTOYHUJJDOKRF-UHFFFAOYSA-N 294.439 3.514 30 20 CHED Cc1cc(Cl)c(NC(=O)N2CCC[C@H](C#N)C2)cc1C 931598902 OLGAVTIUXMFPNY-GFCCVEGCSA-N 291.782 3.724 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(-c2ccc[nH]2)cs1 931683906 CMSGOWPFSJFMHG-JTQLQIEISA-N 275.377 3.679 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)c1ncccc1C)c1ccccc1 1120741387 MZALIRUIUGYUDA-JKSUJKDBSA-N 294.398 3.927 30 20 CHED C=CC[C@@H](NC(=O)c1cc2c(o1)CCCC2)c1ccncc1 1123620708 PKLQJOUKLFYSTD-OAHLLOKOSA-N 296.370 3.601 30 20 CHED CCOc1c(F)cccc1C(=O)Nc1cccc(CC#N)c1 1128982223 JUAHKVLZDCCGIU-UHFFFAOYSA-N 298.317 3.543 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1c(CC)oc2ccccc12 1261743889 OPPGMELISSNZBI-KRWDZBQOSA-N 269.344 3.527 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cc(F)cc3ccoc23)c1 1275426010 QBPAAUWRSSSRSX-UHFFFAOYSA-N 298.248 3.835 30 20 CHED C=C(Cl)CN[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 1307964348 DIGFYXBMKKLYGG-INIZCTEOSA-N 295.810 3.586 30 20 CHED N#Cc1cccc(NC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1 1310076626 NNIFKTXHZWNERB-ZBFHGGJFSA-N 283.375 3.506 30 20 CHED C[C@H](CCNC(=O)Nc1ccc(C#N)cn1)CC(C)(C)C 1311057579 YNXNEIUFGKSQQP-GFCCVEGCSA-N 288.395 3.537 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NNc1ccc(C#N)cc1 1317903855 RNHMZPXKBKUKCH-GFCCVEGCSA-N 291.354 3.896 30 20 CHED CCCCCCCCCCNC(=O)c1cncnc1C 1319552795 MVBZEQDPJAWHPZ-UHFFFAOYSA-N 277.412 3.656 30 20 CHED Cc1ccc(CSCc2ccc(C#N)cc2F)nc1 1320093924 GMBULOGGMSBPRC-UHFFFAOYSA-N 272.348 3.834 30 20 CHED C=C[C@@H](Cc1nnc(Cc2cccnc2)o1)c1ccccc1 1326306680 SKWNAXOZKLBFAR-HNNXBMFYSA-N 291.354 3.568 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1csc(-c2ccccc2)n1 1327377719 YQDOUNJAALTOJZ-OCCSQVGLSA-N 288.416 3.662 30 20 CHED CCCCS[C@H](C)C(=O)OCCc1ccc(C#N)cc1 1327978656 PVSKPIUZHDLHII-CYBMUJFWSA-N 291.416 3.566 30 20 CHED C[C@@H]1CCC[C@H]1Cc1nnc(-c2cccc(C#N)c2)o1 1330098796 HMXFLLFPKACTNZ-YPMHNXCESA-N 267.332 3.587 30 20 CHED N#CCOc1ccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1 1331181989 IANURIKWGWHCAN-HOTGVXAUSA-N 298.386 3.744 30 20 CHED Cc1nc(C(C)C)oc1-c1nnc(-c2cccc(C#N)c2)o1 1333120559 DVRZBCVAIBDBAO-UHFFFAOYSA-N 294.314 3.695 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1cccc(C(F)F)c1 1333511312 SCUVIEFVXPDPGF-NSHDSACASA-N 267.319 3.843 30 20 CHED C=CCN(C(=O)NCc1cccc(C(F)F)c1)C(C)C 1338531556 ISIDJQURBRNOGK-UHFFFAOYSA-N 282.334 3.730 30 20 CHED C=C(C)CCC(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 1342331738 SOVJNZWQSKYSKM-LBPRGKRZSA-N 275.348 3.606 30 20 CHED CCn1c(C(=O)OCC2(C#N)CCCC2)cc2ccccc21 1343331263 LHKQGWDAAGBAIL-UHFFFAOYSA-N 296.370 3.902 30 20 CHED CCC[C@@H](C)C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1346150513 KRMXJRXGBJPUQC-ZJUUUORDSA-N 289.766 3.829 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc3ncsc3c2)c1 1438460300 MAUUOYWACGJVAM-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Cc1cc(Nc2ccc3c(cnn3C(F)F)c2)ncc1C#N 1458263082 NYTYQSKTBNSGNF-UHFFFAOYSA-N 299.284 3.750 30 20 CHED N#Cc1cccc(SCc2cccc(F)c2F)n1 1458602003 ZHFTVEMLXCXJFA-UHFFFAOYSA-N 262.284 3.524 30 20 CHED C=C(CC)C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 1520647241 PVKBSLVBNJYITG-AWEZNQCLSA-N 271.360 3.515 30 20 CHED CCc1c(C(=O)O[C@H]2CC[C@H](C#N)C2)oc2ccccc12 1524747814 ZDVRXUDEZURYQU-RYUDHWBXSA-N 283.327 3.844 30 20 CHED CC1(C)CCC[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 1526876324 NOKZPSVFMRBUHM-ZDUSSCGKSA-N 290.794 3.768 30 20 CHED COc1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1C 1544187936 ZBQVTCVRFAKEIJ-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED Cc1cccc([C@H]2CCN(c3cccc(F)c3C#N)C2)c1 1559163919 LOZPJRIXTFMIDW-HNNXBMFYSA-N 280.346 4.000 30 20 CHED Cc1cc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)ccc1C#N 1560294094 NMNWZDHSROEZOC-MTHXSQLBSA-N 280.415 3.781 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2cc(C#N)ccc2F)c1 1584221680 VRACNNHIBLTVER-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C)cc(C(=O)O)c1 1588777728 HVRVFCYENZIFRT-UHFFFAOYSA-N 290.363 3.560 30 20 CHED CCc1cccc(F)c1/C=C\C(=O)c1cc(C(=O)O)co1 1605828829 ORBSHTUCAYZFSZ-SREVYHEPSA-N 288.274 3.575 30 20 CHED Cc1ccc(NN=C2CCC23CCCC3)cc1C(=O)O 1610509660 NZOSJCUJOKQFNS-UHFFFAOYSA-N 272.348 3.815 30 20 CHED Cc1nc(N2CC3(CCC3)c3c(F)cccc32)ccc1C#N 1611909283 YLCZDFAPTJORLC-UHFFFAOYSA-N 293.345 3.974 30 20 CHED CCC1(CC)[C@@H](Nc2cc(C)cc(C#N)c2)C[C@H]1OC 1621390462 VFASUASTLZPPRP-JKSUJKDBSA-N 272.392 3.872 30 20 CHED Cc1cc(CN2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)ccc1C#N 1621545333 UJEOGADNCXWJOG-WZGPROSRSA-N 280.415 3.735 30 20 CHED N#CC1(CCN2CC[C@@H](C3CCC3)C2)CCCCC1 1646175482 CSZQUMMRVAIPCE-MRXNPFEDSA-N 260.425 3.973 30 20 CHED Cc1ccccc1[C@@H](C)Nc1ncc(C#N)cc1F 1652091013 QXIBUTFGOIPKPN-LLVKDONJSA-N 255.296 3.574 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCc2cccc(C#N)c2)n1 1652909431 RJWYPWPUCYWXEA-UHFFFAOYSA-N 291.354 3.701 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC[C@H](O)c1cccc(C#N)c1 1654231870 OZUMGCLLEZFNGK-NJAFHUGGSA-N 286.419 3.540 30 20 CHED N#Cc1ccc(CNc2ccccc2OCCF)c(F)c1 1656296496 MJGYDQVBLVGZHA-UHFFFAOYSA-N 288.297 3.658 30 20 CHED CC[C@@H]1CCC[C@@H](NCCc2ccc(C#N)cc2)C1 1656621946 AWMORAMYXFAKRK-RHSMWYFYSA-N 256.393 3.659 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(C#N)c(F)c1 1678225656 SYPNYQIQOIBQPK-BDJLRTHQSA-N 289.354 3.788 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1749271453 WFZUJTWTGVMAMP-DGCLKSJQSA-N 296.846 3.608 30 20 CHED O=C(O)c1ccc(NN=C2C[C@@H]3CCCCC[C@H]3C2)cn1 1776072829 PSLIQPGNUQMUOY-RYUDHWBXSA-N 287.363 3.538 30 20 CHED C=CCC1(C(=O)O)CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1776160651 PEAOJUKGMLXTJA-HRCADAONSA-N 291.435 3.556 30 20 CHED CCCCCCC[C@@H](C)CNc1ncc(C(=O)O)c(C)n1 1776782351 KRSZIQWTSJMGKW-GFCCVEGCSA-N 293.411 3.892 30 20 CHED CSc1ccccc1NC(=O)c1cccc(C#N)c1 5443562 GOJKVZYADJWLAI-UHFFFAOYSA-N 268.341 3.532 30 20 CHED Cc1ccsc1C/N=C/c1cc2ccccc2[nH]c1=O 26432395 PKEXWSSJOIPPQR-RQZCQDPDSA-N 282.368 3.517 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(Cl)c(Cl)c1 42247363 QHAOYDSMWLTGGR-UHFFFAOYSA-N 286.162 3.761 30 20 CHED C[C@H]1C[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C#N 42981058 VKZKTRBESSJQFW-DZGCQCFKSA-N 290.366 3.611 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1cccc(C#N)c1 73629848 LYKZZWOMVPEJAT-RHSMWYFYSA-N 299.418 3.668 30 20 CHED C=CCN(CC=C)C(=O)NC[C@H](CC)c1ccccc1 78320145 MYXZPGWRFIQGHO-HNNXBMFYSA-N 272.392 3.564 30 20 CHED CCc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 78380135 MGMWRFYXPOONHX-UHFFFAOYSA-N 296.345 3.949 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)c1nc(C(F)(F)F)ccc1C#N 78833495 OSGQKXFUCCOKMG-ZYHUDNBSSA-N 297.324 3.987 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCC1)c1c(F)cccc1Cl 81382230 KEIOHJXQRCWLBF-SNVBAGLBSA-N 294.757 3.740 30 20 CHED C=CCCOCCN[C@H](c1ccc(OC)cc1)C(C)C 91406673 ZYFLJTRCNPVNDE-KRWDZBQOSA-N 277.408 3.575 30 20 CHED N#CCN(Cc1cccc(Cl)c1F)C1CCCC1 93563399 OKQUFXMJAOAFRE-UHFFFAOYSA-N 266.747 3.747 30 20 CHED CC(C)CC[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 94591973 AEBQZFBZTJOUNQ-NSHDSACASA-N 261.325 3.703 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Sc1cccs1 96470107 YXJGLTFYUAGBRA-UHFFFAOYSA-N 262.315 3.679 30 20 CHED C=C(C)CN1CCC(NCc2ccc(SC)cc2)CC1 106246143 VCDSTNMFSAABGK-UHFFFAOYSA-N 290.476 3.539 30 20 CHED CC[C@@](C)(NC(=O)c1cccc(C#N)c1)c1ccccc1 107516211 LAJZDLHYDUJJKY-GOSISDBHSA-N 278.355 3.613 30 20 CHED C=CCCC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C 110518620 FPVYAMAFUXIVBV-DOMZBBRYSA-N 293.794 3.595 30 20 CHED CN(Cc1cccc(F)c1)c1c(F)cc(C#N)cc1F 111141779 HJYBNSJHOKULCG-UHFFFAOYSA-N 276.261 3.612 30 20 CHED CCCn1ccc2cc(NC(=O)C3(C#N)CCC3)ccc21 119662826 UHPOGGFRTRSDQS-UHFFFAOYSA-N 281.359 3.684 30 20 CHED CCN(CCCSCC#N)[C@H]1CCCC[C@@H]1C 120124138 SSMJUQBCSNKBJR-KBPBESRZSA-N 254.443 3.534 30 20 CHED C=CCC[C@H](N[C@@H](CCCO)c1ccccc1)C1CC1 121321564 UZIJNFDOXADSIY-ROUUACIJSA-N 273.420 3.835 30 20 CHED C=C(Cl)CN(C)[C@H]1CCCc2nc(C)sc21 121411150 ZBFUDOIQLYEGBV-NSHDSACASA-N 256.802 3.513 30 20 CHED C=C[C@H](CC(=O)Nc1cccc(OC)c1)c1ccccc1 121537444 OQGDKYSYZXDQAV-CQSZACIVSA-N 281.355 3.994 30 20 CHED N#Cc1ccc(CN2CCC(Oc3ccccc3)CC2)s1 121896869 RYYDZCPEIBWXLE-UHFFFAOYSA-N 298.411 3.663 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccc(C)s1)C(C)C 123832766 RCKZLLLKJPRDDO-CQSZACIVSA-N 267.438 3.594 30 20 CHED Cc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1Cl 124387178 AIBSYPWFAOHFQV-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1cccc(C)c1C 125646448 HXRLIVSTOVCUDL-MRXNPFEDSA-N 257.377 3.933 30 20 CHED C=C[C@@H](CC(=O)N1CCC2(CCC2)C1)c1ccccc1 127635962 JYSPIBQGHPXQIX-HNNXBMFYSA-N 269.388 3.749 30 20 CHED CCCCCCCCCCNC(=O)c1cccc(N)n1 129467549 SIJBWRHBOZBGAB-UHFFFAOYSA-N 277.412 3.534 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@H](C(C)C)CC1 130473063 ZNRYDVOYSKRMIT-INIZCTEOSA-N 286.419 3.825 30 20 CHED C=C[C@H](CC(=O)N1Cc2ccccc2C1)c1ccccc1 130852383 KBRRWTPNZJDEGM-OAHLLOKOSA-N 277.367 3.889 30 20 CHED CC(C)(C#N)CCN1CCSC2(CCCCC2)C1 131785737 IZIJMGHRZBGWPC-UHFFFAOYSA-N 266.454 3.678 30 20 CHED C=C[C@H](CC(=O)Oc1ccc2cn[nH]c2c1)c1ccccc1 131997712 KKZXAQBKNQABRQ-CYBMUJFWSA-N 292.338 3.828 30 20 CHED N#Cc1ccccc1OCc1ncc(-c2ccccc2F)o1 133337688 MFUHELIXTWGROG-UHFFFAOYSA-N 294.285 3.931 30 20 CHED Cc1ccsc1C(=O)N[C@H](CCC#N)c1ccccc1 153124374 DKJVJDOVHOQZGU-CQSZACIVSA-N 284.384 3.831 30 20 CHED C=CCCOCCN[C@@H](C)c1ccccc1Cl 155646975 TXHRAZNHLYLRCQ-LBPRGKRZSA-N 253.773 3.583 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(C#N)cc1 156199603 VYASGAAGRNSADS-MRXNPFEDSA-N 286.375 3.625 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)NCCCCC#N)cc1 171503191 OQKCUSQRMJIZHA-FMIVXFBMSA-N 284.403 3.807 30 20 CHED C=CCCCCCN(C)C(=O)NCC(C)(C)SC 174348802 XPBCBBSVESBQTQ-UHFFFAOYSA-N 272.458 3.516 30 20 CHED COc1ccc([C@H](C)CCNCc2cccc(C#N)c2)cc1 174507718 SYWDAVJKORMVIP-OAHLLOKOSA-N 294.398 3.850 30 20 CHED COc1ccc(C)cc1C(=O)CSc1cccc(C#N)c1 177103120 LQSZXNMXFIQTLX-UHFFFAOYSA-N 297.379 3.850 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2ccc(C#N)cc2Cl)n1 178154070 INRYCFDSLOXKCG-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CCC(=O)c1cccc(NCc2cccc(C#N)c2)c1 178832621 JSNJHGMVCYBSIV-UHFFFAOYSA-N 264.328 3.763 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(-c2nnc(C)o2)c1 179782472 XYXCHHXXZWCULD-LBPRGKRZSA-N 299.374 3.520 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(SC(C)C)cc1 180393788 OZLZUORCAILFQU-UHFFFAOYSA-N 263.406 3.835 30 20 CHED CC[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(OC)cc1 181810747 DOBWKOJXGUBLJY-SFHVURJKSA-N 298.361 3.947 30 20 CHED Cc1ccc(OCCN[C@@H](C)c2cccc(C#N)c2)cc1 181976812 PDGDJCNKNOSIRR-HNNXBMFYSA-N 280.371 3.596 30 20 CHED C=CCC[C@H](NC(=O)COC(C)(C)C)c1ccccc1 183386095 LCMKNWMPJBDVPU-HNNXBMFYSA-N 275.392 3.625 30 20 CHED C=CCOc1cccc(NC(=O)N2CCCC3(CC3)C2)c1 184218193 VVTJAICZJDYMQY-UHFFFAOYSA-N 286.375 3.659 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1CSC 184762046 KVTCAGDSXQKBPW-NSHDSACASA-N 264.394 3.636 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](C)C1CC1)c1ccccc1 186249561 VYSRRBMIDAXLCG-BBRMVZONSA-N 257.377 3.651 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(SC)cc1 187513795 XYZPKCRYZCLMAQ-UHFFFAOYSA-N 290.432 3.953 30 20 CHED C#CCCCN[C@@H](C)c1ccc(Br)cc1F 188087643 MARFUKAUCWAKOJ-JTQLQIEISA-N 284.172 3.652 30 20 CHED C=CCN(CC=C)C(=O)C1(Cc2ccccc2Cl)CC1 190570051 AGCJGLLDIIOHJO-UHFFFAOYSA-N 289.806 3.863 30 20 CHED C#CCCCC(=O)Nc1ccc(COC2CCCC2)cc1 192133662 VQHFDNBTRDEWGW-UHFFFAOYSA-N 285.387 3.888 30 20 CHED C=CCN(Cc1ccccc1F)C[C@H]1CCC=CO1 193792569 HGPAHZAMGGUTPJ-OAHLLOKOSA-N 261.340 3.506 30 20 CHED COCc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1 194655003 VHATURAPCGRRJB-CYBMUJFWSA-N 266.344 3.878 30 20 CHED CSc1ccc(Cl)c(C(=O)N[C@](C)(C#N)C(C)C)c1 194935464 HEOBMPKCDZAHTE-CQSZACIVSA-N 296.823 3.730 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206786607 RQKNFITTYZAZCF-XGICHPGQSA-N 297.310 3.890 30 20 CHED Cc1cccc(C)c1CN(C)c1ccc(C#N)cc1 215434865 MPXUWYCMCPZFRG-UHFFFAOYSA-N 250.345 3.812 30 20 CHED N#Cc1cccc(Sc2nc3ccccc3o2)c1 229736889 FQHRRSAVLZHDIH-UHFFFAOYSA-N 252.298 3.851 30 20 CHED N#Cc1cc(CN2CCC[C@H]2C2CCCC2)ccc1F 229749107 USXWXTQOWQWYTF-KRWDZBQOSA-N 272.367 3.852 30 20 CHED CCC[C@@](C)(O)CNc1ccc(C(F)(F)F)c(C#N)c1 231717276 FJKJSDJSHJBQBL-CYBMUJFWSA-N 286.297 3.540 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(Cl)nc1 255393115 JLVYODVNMIHGQD-VURMDHGXSA-N 257.720 3.940 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccccc2OC)o1 255578804 BFDSUJXYQGKVBM-NTMALXAHSA-N 256.301 3.747 30 20 CHED N#Cc1ccc(S[C@@H](C#N)C2CCCCC2)nc1 265145103 CTYTYVFMZBCDJX-ZDUSSCGKSA-N 257.362 3.518 30 20 CHED C=CCCCC(=O)N1CCCCC[C@H]1c1cccn1C 267267429 RQPARIUDXLMDCU-INIZCTEOSA-N 274.408 3.825 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc2ccccc2n1 267487069 FAFXURWJOZOECN-UHFFFAOYSA-N 282.387 3.592 30 20 CHED C=C[C@@H](CC(=O)Nc1c(C)noc1C)c1ccccc1 270330525 HWDWCKJNXAFESJ-ZDUSSCGKSA-N 270.332 3.590 30 20 CHED C#CCCCSc1nnc(C2CC2)n1Cc1ccccc1 270820813 GOKOLKCCRDXFLW-UHFFFAOYSA-N 297.427 3.709 30 20 CHED COc1cc(C#N)ccc1CN(Cc1ccco1)C(C)C 271058458 RUZRJBPPWSPIED-UHFFFAOYSA-N 284.359 3.570 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(OC(F)F)c(OC)c1 271421583 AOKMKRXREOZEAL-SECBINFHSA-N 291.725 3.700 30 20 CHED C=CCN(C(=O)Nc1cc(Cl)ccc1N(C)C)C1CC1 271565607 QGUIXFBQBLTQGT-UHFFFAOYSA-N 293.798 3.588 30 20 CHED C=CCC[C@H](C)NC1CCC(O)(c2ccccc2)CC1 273939313 GCZQARUMGMHVFG-ZLPCBKJTSA-N 273.420 3.761 30 20 CHED CC(C)=CCCNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 276872189 QKJMQJHZXGUSSS-UHFFFAOYSA-N 299.418 3.835 30 20 CHED CC[C@H](NC[C@@](C)(O)c1ccccc1)c1ccc(C#N)cc1 278383269 DHESUXPEHLCSOC-RBUKOAKNSA-N 294.398 3.507 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(SCC)c1 278402327 UJUSEQFZHOHLHN-HUUCEWRRSA-N 291.416 3.718 30 20 CHED N#CC1(CCCNc2ccc(Cl)cc2)CCOCC1 280884233 ALKJCNRHPDZWGP-UHFFFAOYSA-N 278.783 3.852 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H](C2CC2)C(F)(F)F)c1 287297168 SRIMXISZVFYEGO-NACCWKTGSA-N 287.281 3.551 30 20 CHED C=C[C@@](C)(CCOC)c1nc(CC2(C)CCCC2)no1 289128034 MWDMLMQWXLGCNO-INIZCTEOSA-N 278.396 3.673 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C(=O)CCCC#N 291962641 CUOZFAMBZNNWLA-MRXNPFEDSA-N 258.365 3.536 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCC2)ccc1-c1ccncc1 293690754 HUSYJTMATWWYME-UHFFFAOYSA-N 291.354 3.689 30 20 CHED N#Cc1cc(N2CCC[C@@H]2CF)ccc1C(F)(F)F 294283100 XVLDFVWNNFZXQR-LLVKDONJSA-N 272.245 3.515 30 20 CHED CC/C(C)=C/C(=O)Nc1cc(C#N)ccc1OC(C)C 294632598 UJNWVQIBRPIZIB-XYOKQWHBSA-N 272.348 3.640 30 20 CHED CCOc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1C 294638371 QIRGEVHUIXMHBD-SFHVURJKSA-N 298.386 3.806 30 20 CHED Cc1cccc(CN(C)C(=O)[C@@]2(C#N)CC23CCCC3)c1C 295320167 LYLYVEIWHXPWSF-IBGZPJMESA-N 296.414 3.736 30 20 CHED CC/C(C)=C/C(=O)N[C@@H](CCC#N)c1ccccc1 295501332 KTPBUVLRICEJGJ-LHNRBYRGSA-N 256.349 3.504 30 20 CHED N#C[C@]1(C(=O)Oc2cc(F)ccc2Cl)CC12CCCC2 297845587 RPBOLFMNJXNEJW-HNNXBMFYSA-N 293.725 3.859 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)C3CC3)c2C#N)[C@@H](C)C1 297878174 PLLAPIKOXOWXBJ-IUCAKERBSA-N 274.389 3.654 30 20 CHED N#Cc1ccc(NCCc2nc3ccccc3s2)cc1 301431821 OYJWTJKXQCTILA-UHFFFAOYSA-N 279.368 3.823 30 20 CHED CCO[C@@H]1C[C@H](N(C)c2ncccc2C#N)C12CCCCC2 301489096 KLDXUVFVLLPLSI-JKSUJKDBSA-N 299.418 3.517 30 20 CHED CC[C@H](CNc1ccc(C#N)cn1)Oc1ccccc1C 301570460 QZAMEFXSAAGDTG-OAHLLOKOSA-N 281.359 3.531 30 20 CHED C[C@H]1CN(c2snc(Cl)c2C#N)c2ccccc21 301928537 LFJQMPIRJUOKTL-QMMMGPOBSA-N 275.764 3.923 30 20 CHED N#Cc1cc(Cl)ccc1N1C[C@H]2CCC[C@@H](C2)C1 305932634 KBZWBXJGFIBAHY-RYUDHWBXSA-N 260.768 3.838 30 20 CHED CCCC1(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 310650744 XOCIOFNWKHXKDG-UHFFFAOYSA-N 262.740 3.730 30 20 CHED N#CCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 313445909 QFMYIJBIZJEPJT-UHFFFAOYSA-N 270.719 3.658 30 20 CHED CC[C@@](C)(CNc1cccc(Br)c1C#N)OC 322799921 PTVYUTBQZDGADS-ZDUSSCGKSA-N 297.196 3.548 30 20 CHED C[C@H](/N=C(/O)C1CCCC1)/C(O)=N/CC1(C2CC2)CC1 328654842 MDNRWGOGTCIAOL-NSHDSACASA-N 278.396 3.668 30 20 CHED CC1(C)CCC(C/N=C(/O)c2snnc2C2CC2)CC1 329590788 TXHOUXNZLMINGB-UHFFFAOYSA-N 293.436 3.937 30 20 CHED Cc1cc(C)c2nc(N=C(O)C[C@@H]3CCOC3)sc2c1 329775056 IZTPMKDRORLWGT-NSHDSACASA-N 290.388 3.928 30 20 CHED CC[C@@H]1CCC[C@H]1/N=C(/O)c1cc(O)nc(C2CC2)c1 329995814 NTZDUHINNTTWID-ZWNOBZJWSA-N 274.364 3.548 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@@](C)(C#N)CC(C)C)s1 330472552 AQRBOEUWBGVZCP-CQSZACIVSA-N 279.409 3.647 30 20 CHED CC[C@@H](/N=C(/O)c1occc1C(C)C)C1CCOCC1 330552530 XYPNOVHPRIGBFN-CQSZACIVSA-N 279.380 3.913 30 20 CHED Cc1ccc(/C(O)=N/[C@](C)(C#N)CC(C)C)cc1F 330766092 UKEOGPFNPUETRI-HNNXBMFYSA-N 262.328 3.767 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 333257056 IFVGBECOJCXHRS-DZOHQFGASA-N 296.414 3.769 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2cccc(C#N)c2F)n1 334334822 YQUCWDXSMRLVKZ-QGZVFWFLSA-N 295.361 3.738 30 20 CHED C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cncc(F)c1 335906355 XEMDUHZFSNBRJW-KPZWWZAWSA-N 295.361 3.821 30 20 CHED COc1cc(CNc2ccc(C#N)cc2F)ccc1C 337643917 GRSVZXABCDYKMY-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCCSCCOCC(F)(F)C(F)(F)F 339092498 UVNXNYKBTQZHRK-UHFFFAOYSA-N 264.259 3.510 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cccc(C)c1 341113626 SJEGOQFSSAUVKG-UHFFFAOYSA-N 283.346 3.963 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCCCc2ccc(Cl)cc21 341884700 WJQOUWZJVHDGRT-GUYCJALGSA-N 293.838 3.882 30 20 CHED N#CCCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl 342836252 SRBQOGJAVNKHMZ-UHFFFAOYSA-N 274.107 3.617 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(C#N)c2)C1 345074124 JXIFHRVUOIWODZ-UWVGGRQHSA-N 262.740 3.586 30 20 CHED CCCOc1cccc(C(=O)NCC(C)(C)CCC#N)c1 345891872 STXPXZZXMMTIKQ-UHFFFAOYSA-N 288.391 3.535 30 20 CHED CCOc1ccccc1/C=C/c1ccncc1C#N 347457008 YAOXFKZCHBREMK-BQYQJAHWSA-N 250.301 3.522 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@H](C)c2ccccc21 348190637 CUKXBCFLJVZBNK-GJZGRUSLSA-N 287.403 3.898 30 20 CHED CSc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1F 348356877 NQVKCVGEFQBQMN-LLVKDONJSA-N 278.396 3.892 30 20 CHED CC(C)COc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 349823516 USQANPYYZFHADB-GDBMZVCRSA-N 272.392 3.503 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(F)cc2C(F)(F)F)C1 349846484 BRJQYLKTXZIKDJ-JOYOIKCWSA-N 286.272 3.626 30 20 CHED Cc1cccc(CCCN[C@@H](C)c2ccc(C#N)cc2)n1 349964520 MDVLYZPFEAJBHM-HNNXBMFYSA-N 279.387 3.545 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc2c(c1)COC2 351381437 FWCKTDKQGGFWJF-UHFFFAOYSA-N 273.376 3.535 30 20 CHED C=CCCCOc1cc(COC)nc2ccc(F)cc12 352167011 JSNBBPMZKOWXPP-UHFFFAOYSA-N 275.323 3.865 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1coc2ccccc12 352598505 QZJDRSQIECMORE-UHFFFAOYSA-N 295.338 3.897 30 20 CHED CCc1cc(O)ccc1NC(=O)Nc1ccc(C#N)c(F)c1 353567865 ZUWSTDWARJOESS-UHFFFAOYSA-N 299.305 3.609 30 20 CHED CC[C@@H](NCCCC#N)c1ccc(OC(F)(F)F)cc1 353672178 MXKAUFKHDAIPPJ-CYBMUJFWSA-N 286.297 3.930 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@]1(C)C(C)C 354098334 WFTIWDRYXIPHKC-SUMWQHHRSA-N 285.391 3.611 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCC[C@H](SCC)C2)CC1 356258613 FLPPLNASGYTQDI-KGLIPLIRSA-N 281.465 3.913 30 20 CHED C[C@@H]1CCN(Cc2ccccc2C#N)CC12CCC2 357018704 BAZYIXVGLGWHAR-CQSZACIVSA-N 254.377 3.570 30 20 CHED C=CCOc1cccc(NC(=O)CC[C@H](C)SC)c1 358470350 HDEJPUWXFUZVQV-LBPRGKRZSA-N 279.405 3.722 30 20 CHED C[C@H](C[S@@](=O)Cc1cccc(C#N)c1)c1ccccc1 359438728 NFTZWGNVISZOHK-JLTOFOAXSA-N 283.396 3.611 30 20 CHED Cc1cc(NCCCC#N)c(C(F)(F)F)cc1[N+](=O)[O-] 360083536 QEAMJDJUFJSFPT-UHFFFAOYSA-N 287.241 3.638 30 20 CHED C=CC1CCN(C(=O)CCc2cncc3ccccc23)CC1 360667661 YYWLZCIZQKDPHE-UHFFFAOYSA-N 294.398 3.592 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(F)cc2C#N)C1 362389573 AMCRGYUTUCJFED-INIZCTEOSA-N 260.356 3.709 30 20 CHED N#Cc1cc(N2CCC=C(F)C2)ccc1C(F)(F)F 362644116 PPAXBBYDCSBQFB-UHFFFAOYSA-N 270.229 3.641 30 20 CHED C#CC[C@H](NC(=O)N1CCC2(CCC2)CC1)c1ccccc1 367796581 ZSRQAJWYCKHIBT-KRWDZBQOSA-N 296.414 3.727 30 20 CHED N#Cc1c(Cl)nsc1N1CCC=C(c2ccco2)C1 376253322 HMINAEDMLNWMTC-UHFFFAOYSA-N 291.763 3.555 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1F 377740839 HJKXZZBBDFRFOX-QGZVFWFLSA-N 294.329 3.675 30 20 CHED N#CCCCCN1CCC(c2cccc(F)c2)CC1 378009338 XPVCLEZWJHJTAU-UHFFFAOYSA-N 260.356 3.699 30 20 CHED C#C[C@@H](NCc1ccc(SC)s1)C(C)(C)C 381544757 JRZZYLYDFBRRFE-LLVKDONJSA-N 253.436 3.608 30 20 CHED C=CC(C)(C)CNCc1ccc(OC)c(OC)c1Cl 384881252 URYOWAPCHMZCDO-UHFFFAOYSA-N 283.799 3.659 30 20 CHED CC[C@@H](Nc1cccc(OCC#N)c1)[C@@H]1CC1(C)C 397734237 YZVFSOASXHCVOE-LSDHHAIUSA-N 258.365 3.826 30 20 CHED COc1ccc(Cl)cc1CN1CCC(CCC#N)CC1 399295354 CSIYOUHUPJTNBZ-UHFFFAOYSA-N 292.810 3.864 30 20 CHED N#CCCC1CCN(C(=O)CCCc2cccs2)CC1 399304145 HAMAOKAJFRKCKP-UHFFFAOYSA-N 290.432 3.613 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H](C2CC2)C1 400047612 RVDLRQZASUBGQX-NSHDSACASA-N 280.293 3.813 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC2(CC1)CC2(F)F 404959403 UPCYXCLPIKKCBN-UHFFFAOYSA-N 282.721 3.837 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CCCC(F)(F)C1 409966694 MRLYMTYJXKLDTJ-GFCCVEGCSA-N 286.366 3.791 30 20 CHED CCCC[C@@H](C)C(=O)N[C@](C)(C#N)CCc1ccccc1 409989530 VRJDTDBGUGJSBY-QAPCUYQASA-N 286.419 3.844 30 20 CHED C=CCCC[C@H](C)NC(=O)c1scnc1C(F)(F)F 410669484 BYVXVTGXRLHJRY-QMMMGPOBSA-N 292.326 3.637 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@@H](C)CC1CCCCC1 410823687 AYBPQTCFOFJCAJ-ZFWWWQNUSA-N 264.413 3.744 30 20 CHED C[C@H]1[C@H](C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1(F)F 411008706 UHZFQYHDOVSHBF-OIBJUYFYSA-N 298.358 3.757 30 20 CHED Cc1cc(NCCCC(F)(F)F)c(C#N)cc1[N+](=O)[O-] 413171092 OOKBPPGKTTXHRQ-UHFFFAOYSA-N 287.241 3.529 30 20 CHED C[C@H]1CC(C(=O)N2CCc3cc(C#N)ccc32)C[C@H](C)C1 416014442 OWAUPPCGIVSQAS-CHWSQXEVSA-N 282.387 3.520 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 417361501 IVRZOABPINPHCC-KZULUSFZSA-N 295.361 3.821 30 20 CHED C=C[C@H]1CCCCN1c1ncc(F)c(-c2ccsc2)n1 418934957 CGIYWKFFKJXGEA-LBPRGKRZSA-N 289.379 3.889 30 20 CHED COC(=O)c1ccc(CSCCCC#N)cc1Cl 419527846 VXDLDCNULUCDAL-UHFFFAOYSA-N 283.780 3.664 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N[C@@H](C#N)C(C)(C)C 424702652 GGQKHRSGAHRHHQ-HOCLYGCPSA-N 286.419 3.618 30 20 CHED CC(=O)c1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 425529624 CFNJJLFKDGBRII-AWEZNQCLSA-N 292.382 3.954 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1F 426197323 BREAWODPJJSMTG-CYBMUJFWSA-N 296.773 3.729 30 20 CHED C=C[C@@H](C)NC(=O)c1cnn(CC(C)C)c1-c1ccccc1 428496822 GLDFKHDHMOVXNY-CQSZACIVSA-N 297.402 3.510 30 20 CHED CC(C)C1CCC(N(C)C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 433417502 LVNBIAMPDZVIAF-GYTBAZASSA-N 291.439 3.535 30 20 CHED C=C(C)CN(CC)C(=O)NCCC1CC(OC(C)(C)C)C1 433474656 KTPOFTOCHZQUFH-UHFFFAOYSA-N 296.455 3.578 30 20 CHED C=CCC[C@H](NCCc1ccc(OC)cc1OC)C1CC1 439084032 HZXLFTDABHSTJS-KRWDZBQOSA-N 289.419 3.581 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC[C@@H]1CC[C@H](C)O1 439260945 RHCWPTUEFLIOKU-RDJZCZTQSA-N 293.451 3.929 30 20 CHED C[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl 439446046 XKJONOHAZZXVBY-CMPLNLGQSA-N 291.782 3.769 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1cncc(F)c1 439624091 UMEOJCXBXBANKC-UHFFFAOYSA-N 291.370 3.821 30 20 CHED CC(C)C[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 442690056 VCMQIGSACNHPNE-HOCLYGCPSA-N 256.393 3.987 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CN(CCC#N)Cc1ccco1 443417313 WLXBXZZUNYBCKA-NVXWUHKLSA-N 272.392 3.988 30 20 CHED CC1(C)CCCN(Cc2cccc(Cl)c2)[C@@H]1C#N 444718055 NXICDPCYPCHMOJ-CQSZACIVSA-N 262.784 3.854 30 20 CHED CC(C)[C@H](CC(F)(F)F)N[C@H]1CCC[C@H](C#N)C1 446814860 ZWIOBWPOZOPTEX-SRVKXCTJSA-N 262.319 3.635 30 20 CHED C=CCC[C@H](NCc1ccc2c(n1)CCCC2)C1CC1 447577052 FEYSEBGAYSVIHS-KRWDZBQOSA-N 270.420 3.795 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)N(CCC#N)CCC(C)C 448906558 AIEHQVPKVOCIOA-LSDHHAIUSA-N 264.413 3.601 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc(SC)c(F)c1 449697061 JVTBBRRPUSJSCG-WCQYABFASA-N 283.412 3.525 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)C1CCC(C(F)(F)F)CC1 449700260 SRPJYTZXWSUQAT-RYSNWHEDSA-N 293.373 3.660 30 20 CHED C[C@H]1C[C@@H](C(=O)NC2(c3cccc(C#N)c3)CC2)CC[C@H]1C 450305621 XBVKJEMRUICZML-YCPHGPKFSA-N 296.414 3.736 30 20 CHED C=CCC1(C(=O)NCc2cccc3cc[nH]c23)CCCC1 451056916 CGCBWVUTCIZWJE-UHFFFAOYSA-N 282.387 3.921 30 20 CHED N#CCc1ccc(NC(=O)C[C@H]2C=CCC2)c(Cl)c1 452642355 HNUWYGGNLZLCHV-NSHDSACASA-N 274.751 3.701 30 20 CHED CC(C)n1ccnc1CNc1ccc(CC#N)cc1Cl 453129012 MZLIVENVBWHKHD-UHFFFAOYSA-N 288.782 3.796 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(C)cccc1CC 454143754 FZQJDSGLZJBEMG-UHFFFAOYSA-N 260.381 3.891 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 454893212 RKVNOWVGLKDBHT-JOCQHMNTSA-N 290.382 3.583 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)CCC#N)C1CCCC1 454966448 UHEHRIVQUHZKLG-CQSZACIVSA-N 279.428 3.584 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cnc(C)cc1C 455560188 PMWLVHKRIVVWPX-UHFFFAOYSA-N 289.423 3.586 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCO[C@H](C)CC(C)C)c1 456975270 YTPQEXPVXQOUJR-CQSZACIVSA-N 288.391 3.647 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CC#N)c2)C1 457003321 NMOKSPJNTYEFSU-DZKIICNBSA-N 284.403 3.697 30 20 CHED C[C@@H](CCC(=O)NCC(C)(C)CC#N)c1ccccc1 457992939 LTFAUGROGUAGHY-AWEZNQCLSA-N 272.392 3.626 30 20 CHED C=C[C@@H](CC(=O)NCc1ccc(C)c(C)n1)c1ccccc1 458016606 VLFMATOPYYTVNZ-INIZCTEOSA-N 294.398 3.675 30 20 CHED CC(C)(CC#N)CN[C@H]1CCC[C@H]1c1ccc(F)cc1 459660036 AQDVAQHUOFHUSZ-HOTGVXAUSA-N 274.383 3.991 30 20 CHED CCC1(c2ccccc2)CN(Cc2cc(C#N)cs2)C1 459758158 OQDSHKSKFCGPQJ-UHFFFAOYSA-N 282.412 3.783 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)c1ccc(C)cc1 460566570 LGXCJERZNQGQOJ-UHFFFAOYSA-N 282.391 3.808 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)CC 460957312 IAGYMIMEAOMCGA-ZDUSSCGKSA-N 278.444 3.678 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)CCc1ccccc1F 463234888 BEWWUMKZQMJMGK-AWEZNQCLSA-N 275.367 3.595 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 466527433 FFHDDELRIDTTJZ-TUAOUCFPSA-N 277.330 3.826 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cccc(N2CCOCC2)c1 467408474 WUXBWTVMKDTMAH-RDJZCZTQSA-N 288.435 3.529 30 20 CHED CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)C#N 467817462 NFXPRTFEELOASJ-CYBMUJFWSA-N 290.794 3.794 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](C)c1ccc(F)cc1 467948881 MRLASWKPMSQLKU-MLGOLLRUSA-N 263.356 3.648 30 20 CHED N#Cc1ccc(CN(CCc2ccccc2F)C2CC2)cc1 469902544 ROXKAYLGWKXFEW-UHFFFAOYSA-N 294.373 3.904 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 472285362 JQJIGNGOTSNFSQ-LIRRHRJNSA-N 298.430 3.626 30 20 CHED C=CCC[C@H](O)CN(C)Cc1ccc(Cl)c(Cl)c1 472769360 XZPYIGJSHAHNSR-LBPRGKRZSA-N 288.218 3.752 30 20 CHED C[C@H](NC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 473432796 GWXXCFXCTYEMQE-KGLIPLIRSA-N 293.370 3.872 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 473788271 QEHLEPLMIINCAT-LBPRGKRZSA-N 291.351 3.770 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)CCc2ccccc2)CC1 474081542 QGABDPLXMXUETD-HNNXBMFYSA-N 271.404 3.870 30 20 CHED CCCCC[C@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 475058086 OBWXBWFFGDSORP-KRWDZBQOSA-N 299.418 3.813 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)C[C@@H](CC#N)c1ccccc1 476185856 BVFUEUGBQABEBV-USXIJHARSA-N 284.403 3.721 30 20 CHED Cc1cccc(C(C)(C)CNC(=O)c2ccc(C#N)s2)c1 486880278 KZTRIFNYWNWJHD-UHFFFAOYSA-N 298.411 3.636 30 20 CHED CSCCCN(C)c1c(C#N)cnc2ccc(C)cc12 487741339 NFVVOJSXGGJWLK-UHFFFAOYSA-N 285.416 3.604 30 20 CHED Cc1nc(N2CC(C)(C)CC(C)(C)C2)ccc1C#N 487757564 GWKDXMUWRJDWQY-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](CC)CC(F)(F)F 491636018 WXVOZDRWRVFYED-AWEZNQCLSA-N 297.320 3.627 30 20 CHED C=CCN(C)CCCOc1cccc(C(F)(F)F)c1 494643264 OZYCFPKBMNUPOV-UHFFFAOYSA-N 273.298 3.592 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H](C)C[C@@H](C)CC 497519529 NMAGRRTWRRJBBU-GJZGRUSLSA-N 292.423 3.844 30 20 CHED CC#CCCNC(=O)Nc1ccccc1C(C)(C)C 497682464 XCQCWPFVZYBCAW-UHFFFAOYSA-N 258.365 3.519 30 20 CHED CC[C@@H](CNCc1ccc(C#N)cc1F)c1ccccc1 503000306 YZEFQHYBBPUUBO-HNNXBMFYSA-N 282.362 3.981 30 20 CHED C=C(C)CCS[C@@H](Cc1ccc(C)cc1)C(=O)OC 506434728 UUSSMFIWIURSDK-HNNXBMFYSA-N 278.417 3.779 30 20 CHED N#Cc1ccc(N2CCC[C@H]2Cc2ccccc2)cc1 507157786 ZQEFDJNEKSEJRH-SFHVURJKSA-N 262.356 3.770 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](C)CCc1ccccc1 509034672 QRVCVHWEVLJNQT-AWEZNQCLSA-N 292.382 3.618 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC(C)(C)C#N 512928604 ZAURKIIGSASMSI-HNNXBMFYSA-N 287.407 3.575 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC)c(Cl)c1 513328156 TZFZMNARXZJOCO-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C=C(C)CN(CC)C[C@H](OC)c1ccc(Cl)cc1 513967340 IGJBIDBPCAHUTL-HNNXBMFYSA-N 267.800 3.926 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccnc(OC3CCC3)c2)no1 517358606 KGVRRIJDWLSSAV-UHFFFAOYSA-N 299.374 3.917 30 20 CHED Cc1ncccc1CN[C@H]1CCCCc2cc(C#N)ccc21 527989356 YCKUABJGYJUNJY-IBGZPJMESA-N 291.398 3.819 30 20 CHED CC(C)N(CCC#N)Cc1cnc(C2CCCC2)s1 535795545 DNYUEPNUVCPUPK-UHFFFAOYSA-N 277.437 3.925 30 20 CHED Cc1cn(CCc2c(F)cccc2Cl)cc1C#N 536617451 GHSPYRUENSEWTE-UHFFFAOYSA-N 262.715 3.703 30 20 CHED Cc1cc(C)cc(C2=CCN(c3cccc(C#N)n3)CC2)c1 536724123 VDLOCWOOZJAJDE-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnn(C(C)(C)C)c1CC 538337543 OTBGNKHWSJJFHB-CYBMUJFWSA-N 291.439 3.675 30 20 CHED CC[C@@H]1CC[C@@H](C)N1c1ccc2cc(C#N)ccc2n1 540078298 RLJZYNSGVBBCJM-IUODEOHRSA-N 265.360 3.874 30 20 CHED CCCOc1cccc(CN2CCC(CC#N)CC2)c1 542853832 KNGQWYJQBPSKIH-UHFFFAOYSA-N 272.392 3.601 30 20 CHED C[C@H](C1CCCCC1)N(C)Cc1cccc(C#N)c1 549158913 FIWUEJSORIGKSZ-CQSZACIVSA-N 256.393 3.959 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc(C)ccc1OC(F)F 556602330 MDBLFLHLLJIUGV-UHFFFAOYSA-N 297.345 3.815 30 20 CHED CN(Cc1ccccc1OC(F)(F)F)CC(C)(C)C#N 556910013 RUIAKXQNRBSDMU-UHFFFAOYSA-N 286.297 3.567 30 20 CHED N#Cc1ccc(C2=CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 560678348 UIIQMTPLYZPWPY-FFZOFVMBSA-N 290.410 3.860 30 20 CHED C[C@@H](C#N)CNCc1ccc(Oc2cccc(F)c2)cc1 565710459 CDRKBAGLYOAIAM-ZDUSSCGKSA-N 284.334 3.867 30 20 CHED CC1=C(C(=O)N(CCC#N)c2ccc(F)cc2)CCC1 567211924 WKBJLHZGGTZPLX-UHFFFAOYSA-N 272.323 3.573 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H](Oc2ccccc2)C1 567791222 KUKYVIHLDSMUHZ-BEFAXECRSA-N 292.382 3.773 30 20 CHED Cc1[nH]c(=NCc2c(Cl)cccc2Cl)ccc1C#N 569761542 AVAOUPRNXYZRIN-UHFFFAOYSA-N 292.169 3.603 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2cc(F)cc(F)c2)no1 571682396 RJIKCIRHQYTPKX-HNNXBMFYSA-N 278.302 3.792 30 20 CHED C=CCCCS[C@H](C)C(=O)Nc1ccc(F)c(F)c1 577982591 YDDMRMXOJPKUGO-SNVBAGLBSA-N 285.359 3.991 30 20 CHED C=CCC[C@H](CCC)NC[C@H]1COc2ccccc21 578396668 YTUXUYDDRHYEDB-GJZGRUSLSA-N 259.393 3.887 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 579640600 FWDSUSVIYDGPES-DZKIICNBSA-N 296.480 3.600 30 20 CHED C=CCC[C@H](C)NC[C@]1(CC)OCCc2ccccc21 580863837 XXBQHSVODPSOLZ-YJBOKZPZSA-N 273.420 3.809 30 20 CHED COc1cccc(C)c1NC(=O)/C=C\c1ccccc1C#N 588596150 MOXMCXGGUKJPSB-KHPPLWFESA-N 292.338 3.527 30 20 CHED Cn1cccc1[C@H]1CCCCN1C(=O)CCCCCC#N 588629999 VIDKOFMUDQATEQ-MRXNPFEDSA-N 287.407 3.553 30 20 CHED C[C@H]1c2ccsc2CCN1C(=O)CCCCCC#N 588747368 BNOCFJBRSPDBDH-LBPRGKRZSA-N 276.405 3.668 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cc(C)cc(C)c2)cc1 589080498 FYXWBRMPILHYJA-SFHVURJKSA-N 292.382 3.861 30 20 CHED C=C(C)CN=c1[nH]c(-c2ccc(OCC)cc2)cs1 589631901 SMBOSACAOGWRBR-UHFFFAOYSA-N 274.389 3.619 30 20 CHED N#CCCCCCC(=O)NC[C@@H]1C[C@H]1C1CCCCC1 590509878 CWNLQJVMVXJKHW-HOTGVXAUSA-N 276.424 3.793 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)CCCCCC#N 590771473 MQGOSQHLPGCADZ-CQSZACIVSA-N 250.386 3.712 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[C@H](C#N)C1 591659780 GFVKTOINOUITLI-YOKBYHGQSA-N 254.377 3.592 30 20 CHED COCCOc1ccc(-c2ccc(C)c(CC#N)c2)cc1 592983990 KJVQVSVCRUQDOC-UHFFFAOYSA-N 281.355 3.753 30 20 CHED N#CCC1(CNc2ccc(F)cc2OC(F)F)CC1 594704732 FUDPNJHBSBROEU-UHFFFAOYSA-N 270.254 3.533 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC1(SC)CCOCC1 595028792 VHASLDHPXWEMIF-GJZGRUSLSA-N 283.481 3.623 30 20 CHED N#CC[C@H]1CCCN(Cc2ccccc2C2CC2)C1 595623659 WLFUZBMZXXRCEB-CQSZACIVSA-N 254.377 3.690 30 20 CHED C=CCC1(NC(=O)CC[C@@H](C)SC)CCCC1 598297053 UHZUYSSRNRXVFW-GFCCVEGCSA-N 255.427 3.523 30 20 CHED C[C@@H](N[C@@H]1CCCc2ncccc21)c1ccc(C#N)cc1 601264854 ILAOKXGJUOHHTF-FZKQIMNGSA-N 277.371 3.681 30 20 CHED COc1ccc([C@@H](C)N(C)C[C@@H](C)CCC#N)cc1 602437391 WIPOAUWABDXONK-UONOGXRCSA-N 260.381 3.628 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1cccc(F)c1F 602583432 WKNDLSZRJAJVOF-QWRGUYRKSA-N 252.308 3.555 30 20 CHED C[C@@H](CCC#N)CN(CCC(F)(F)F)CC(F)(F)F 602645123 TWXSMMHXVZERQO-VIFPVBQESA-N 290.251 3.743 30 20 CHED Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)[nH]1 603577109 ASPLSCOSZJDXMW-UHFFFAOYSA-N 299.399 3.696 30 20 CHED Cc1c(C(=O)N[C@@H](C#N)CC(C)C)oc2c(C)cccc12 608825225 XZPXKPVXGSREMU-CYBMUJFWSA-N 284.359 3.718 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@@H]2C2CCCCC2)cc1 610271517 VJTBLRSNGVILIS-SJORKVTESA-N 254.377 3.617 30 20 CHED Cc1cc(F)ccc1CN[C@H](C)c1cccc(C#N)c1 610344872 JWBMNJXVTLQFFQ-CYBMUJFWSA-N 268.335 3.857 30 20 CHED C=C(CN[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 610805487 GYLHYEFFCMPPFC-CQSZACIVSA-N 282.343 3.959 30 20 CHED C[C@@H]1CCC[C@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 611142263 IOZSLPHPNUMPNA-PRHODGIISA-N 297.185 3.783 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC12CCCCC2)c1cccc(C#N)c1 611294047 HXDIJFBFNLUBDH-XJKSGUPXSA-N 297.402 3.641 30 20 CHED CC(C)(C#N)CNC(=O)CSc1ccc2ccccc2c1 611694582 UTHIHTANUMMLFA-UHFFFAOYSA-N 298.411 3.598 30 20 CHED CCCC[C@H](CCC)NC(=O)N1CCC[C@](C)(C#N)C1 612135216 RBASRACQFKFLPL-GOEBONIOSA-N 279.428 3.681 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc3ccccc3o2)C1 612164602 HDIMSDZDZHXKHY-INIZCTEOSA-N 254.333 3.558 30 20 CHED Cc1ccc2c(C)cc(N3CCC[C@](C)(C#N)C3)nc2c1 613113967 JSXAEKOCMLNCJB-GOSISDBHSA-N 279.387 3.982 30 20 CHED C=C(C)CN(C)CCCOc1cccc(Cl)c1 613565511 ATRCTWKHYHBGNG-UHFFFAOYSA-N 253.773 3.617 30 20 CHED N#Cc1ccc(CN2C3CCCC2CCC3)cc1F 616757179 PXCVETMJZFSUFU-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C=CCN(C(=O)c1ccc(-c2ccccc2)o1)[C@@H](C)COC 617581603 VAGQLIRJTFJHGZ-AWEZNQCLSA-N 299.370 3.610 30 20 CHED CCC(CC)(CC)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618843267 VOVFKQKWCRSKCO-MRXNPFEDSA-N 299.418 3.814 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1CCCc2c(O)cccc21 620857152 PLZWOILUVKJYDE-HNNXBMFYSA-N 287.403 3.673 30 20 CHED C=CCN(C(=O)C[C@@H](C)c1ccccc1)C(C)(C)C 622942824 AOSYOFHAONBJKZ-CQSZACIVSA-N 259.393 3.993 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2C)C1 628062280 BCEVTTZITNODKL-DLBZAZTESA-N 285.431 3.988 30 20 CHED C=CCCC[C@@H](C)NCc1ccc(O[C@H]2CCOC2)cc1 657429330 QMTGXYOVOGGQSN-QAPCUYQASA-N 289.419 3.689 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2CCc1noc2ccccc12 662089186 SYKRVFGYLHTHRC-OKILXGFUSA-N 268.360 3.553 30 20 CHED CSc1cc(C)c(C(=O)[C@H](C#N)c2nc(C)cs2)o1 663358256 APYMPIAMCAYSIP-VIFPVBQESA-N 292.385 3.565 30 20 CHED C=CCCNC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 665941347 XEYZJVBZPZZKFV-IRXDYDNUSA-N 286.419 3.930 30 20 CHED C=CCC1(NC2CC(c3ccccc3C)C2)CCOCC1 668553041 ZFEBHYYRBGXPQD-UHFFFAOYSA-N 285.431 3.956 30 20 CHED C=C(CNC(=O)COc1c(C)cccc1C)c1ccccc1 672482179 VMJVHDBWKKMCEL-UHFFFAOYSA-N 295.382 3.512 30 20 CHED C=C(CNC(=O)Nc1ccc(F)cc1C)c1ccccc1 672603744 SKDDAWBNGLUGKH-UHFFFAOYSA-N 284.334 3.969 30 20 CHED C=C(CNC(=O)C1(c2cccc(F)c2)CC1)c1ccccc1 673342155 OCYAULXHVSMJRY-UHFFFAOYSA-N 295.357 3.687 30 20 CHED C=CCN1CCC[C@H]1c1ccccc1Br 674869314 WRRLIXXWKSMCDA-ZDUSSCGKSA-N 266.182 3.772 30 20 CHED C=CCCOCCCCC(=O)N1C2CCCC1CCC2 678849034 RGYGGWZTHDBPAG-UHFFFAOYSA-N 279.424 3.683 30 20 CHED C=C(C)CN(C)Cc1cnn(Cc2ccccc2Cl)c1 679357780 AXTPFZBSBKQJER-UHFFFAOYSA-N 289.810 3.593 30 20 CHED C=C(C)CNC(=O)[C@H](C)c1ccccc1C(F)(F)F 681674187 DNYBOFCIBYVFRZ-SNVBAGLBSA-N 271.282 3.501 30 20 CHED N#Cc1ccc(N2CCC(OC3CCC3)CC2)c(Cl)c1 691795217 FSXQNMTZCKSGDT-UHFFFAOYSA-N 290.794 3.750 30 20 CHED CC(C)CCC(=O)Nc1ccc(Cl)cc1C#N 695683914 DTJNHOROLYBLOF-UHFFFAOYSA-N 250.729 3.586 30 20 CHED CS[C@@H]1CCC[C@H](N[C@@H](C)CC(C)(C)C#N)C1 695860171 SWYSNAFTCVCEMM-RWMBFGLXSA-N 254.443 3.579 30 20 CHED COc1ccccc1-c1c[nH]cc1C(=O)OCCCCC#N 726054208 RCNHVPUCNJJQFD-UHFFFAOYSA-N 298.342 3.541 30 20 CHED CC1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 726435923 IEKBIFGXXAZQEK-UHFFFAOYSA-N 293.823 3.640 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1sc(C)nc1C 726737361 PKXYAQRPWXHWMH-SNVBAGLBSA-N 273.405 3.835 30 20 CHED CC(CCc1ccco1)=NNc1nc(-c2ccccc2)no1 726737761 CTQHMIAXXAALOM-UHFFFAOYSA-N 296.330 3.750 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 726909158 XZMXISIAJICVNP-YHUYYLMFSA-N 292.492 3.728 30 20 CHED Cc1ccccc1C=NNCCCc1ccccc1 729146380 UGVRJVHTCZISOW-UHFFFAOYSA-N 252.361 3.551 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 731212883 VMHAYVKXAUAYKT-INIZCTEOSA-N 272.392 3.599 30 20 CHED C=CC1CCN(C(=S)NC[C@@H](CC)CCCC)CC1 731942116 IDCPXOWCEONMEO-HNNXBMFYSA-N 282.497 3.975 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@@H](C)C(C)(C)C 734652467 VTZXIPANDKDMJZ-GFCCVEGCSA-N 273.380 3.670 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(F)cc1C(F)(F)F 736973393 YBPUUBQGTAJTPA-UHFFFAOYSA-N 296.651 3.719 30 20 CHED COc1ccc(CCNN=Cc2cc3ccccc3o2)cc1 737439879 MFISUZQTCYKFNX-UHFFFAOYSA-N 294.354 3.608 30 20 CHED N#Cc1ccc(COC(=O)CCCC2CCCC2)cc1 744116422 VDPQUCFXHRQSOL-UHFFFAOYSA-N 271.360 3.962 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1ccc(F)cc1F 745625299 VPWXXTVUPDVING-LSCVHKIXSA-N 281.689 3.943 30 20 CHED CC(=NNC(=S)Nc1cccnc1)[C@@H](C)c1ccccc1 746370651 NFBYRDWPOOWYRY-GFCCVEGCSA-N 298.415 3.548 30 20 CHED C[C@@H]1CC(=NNc2nc3ccccc3[nH]2)C[C@H](C)C1 747740069 GDVTXWHVFSAMBM-PHIMTYICSA-N 256.353 3.787 30 20 CHED C[C@@H]1CC(=NNc2ncnc3ccsc23)C[C@H](C)C1 747762264 AKBSXQBENBOYKZ-AOOOYVTPSA-N 274.393 3.915 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 749225885 PIALNDSJINUJOB-UHFFFAOYSA-N 284.281 3.501 30 20 CHED C=CCCC(CC)=NNC(=S)N[C@@H]1CCCC[C@H]1C 750921525 KPJMKXJZRDLXFJ-TZMCWYRMSA-N 281.469 3.761 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1c(F)cccc1Cl 751911433 UNHBBDOIGLTHPJ-VIFPVBQESA-N 286.803 3.580 30 20 CHED Cc1cc([C@@H](C#N)C(=O)C[C@@H]2CCCCC2(C)C)nc(C)n1 752477683 KCSDTLMDYNASFR-LSDHHAIUSA-N 299.418 3.876 30 20 CHED CC(C)(C)O[C@@H](C(=O)OCCCCC#N)c1ccccc1 754316201 PYCUAYLSOCJQEV-OAHLLOKOSA-N 289.375 3.780 30 20 CHED C=CCCC(C)=NNc1ccc(C(F)(F)F)cn1 758074023 PKLYTBLOVGJBKK-UHFFFAOYSA-N 257.259 3.854 30 20 CHED C=CCCC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 761350325 OIRSMEKMNOPQCO-LLVKDONJSA-N 292.400 3.565 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC[C@H]1C[C@H]2CC[C@H]1C2 762556172 LXPZHVBKOQRNMW-ZQDZILKHSA-N 270.376 3.826 30 20 CHED C#CCN(C(=O)c1cc(CC)c(CCC)s1)C1CC1 763796605 QVJXEPZXLFLMND-UHFFFAOYSA-N 275.417 3.501 30 20 CHED Fc1cc(C=NNCc2ccc(Cl)cc2)cc(F)c1F 764717620 FPXLHPOSCYVFEC-UHFFFAOYSA-N 298.695 3.881 30 20 CHED CCC1(C(=O)Oc2ccc(C#N)c(C)c2)CCCC1 765093263 HTFUTCVTRUTPIH-UHFFFAOYSA-N 257.333 3.743 30 20 CHED Cc1ccc(C#N)c(N[C@@H](C)Cc2ccccc2Cl)n1 766397295 AHKZUGFPYLOWES-LBPRGKRZSA-N 285.778 3.958 30 20 CHED Clc1cccc(CNN=CC2Cc3ccccc3C2)c1 766454488 HYZDEWVRLJBKOZ-UHFFFAOYSA-N 284.790 3.830 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)c1ccc(OC)cc1 766917266 VLIWNIGMEVBJSW-UHFFFAOYSA-N 296.370 3.602 30 20 CHED C#CCC(C)(C)C(=O)N1CCCc2cc(Cl)ccc21 767067037 GBHRXNGQAFCSNM-UHFFFAOYSA-N 275.779 3.669 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1ccc(F)cc1F 767664597 DFJSUJCEHSKRMT-LLVKDONJSA-N 266.287 3.763 30 20 CHED COC(=O)c1ccc(C(C)=NNc2cccc(C)c2)cc1 767744753 TUXGMNDRJYNLQH-UHFFFAOYSA-N 282.343 3.618 30 20 CHED CC(C)CN(C/C=C\c1ccc(F)cc1)CCC#N 768154413 SMUXLQFHZAQSGE-HYXAFXHYSA-N 260.356 3.711 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2cnnc3ccccc23)C1 768361093 BPYSCNJCLFTDGM-OLZOCXBDSA-N 268.364 3.854 30 20 CHED C=CC[C@H](NC(=O)[C@H](F)c1ccccc1)c1ccncc1 769375289 KOOMVBADLVMFHV-JKSUJKDBSA-N 284.334 3.526 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](F)c1ccccc1 769387285 DZYKOJUHPXSKQX-BLLLJJGKSA-N 298.317 3.627 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cnc(-c2ccccc2)nc1 769783970 KOURUSHHAQZNEW-BQYQJAHWSA-N 290.322 3.941 30 20 CHED C[C@H](C=NNCC(F)(F)F)c1cccc(Cl)c1 769813192 CLFNWLFRHQHBCY-MRVPVSSYSA-N 264.678 3.581 30 20 CHED Fc1ccc(-c2ccc(C=NNCC(F)(F)F)o2)cc1 769821134 HTMZWYOKMIZEHD-UHFFFAOYSA-N 286.228 3.572 30 20 CHED COCc1cccc(C=NNc2c(C)cccc2F)c1 769841825 WLPVEQOPXGQYNC-UHFFFAOYSA-N 272.323 3.727 30 20 CHED C=C(CC)COC(=O)Cc1c(F)cccc1Cl 773477755 VDQHTABBJHGWKW-UHFFFAOYSA-N 256.704 3.531 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1cccc(C#N)c1F 774970268 XXNMOBREZNDUED-UHFFFAOYSA-N 277.339 3.813 30 20 CHED C#CC[C@H](NCc1cc(F)ccc1OC)c1ccccc1 775398310 GEDLRKIBVAPWDE-KRWDZBQOSA-N 283.346 3.689 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 775634931 ZVXTZOBOPUPLIS-GJZGRUSLSA-N 296.455 3.720 30 20 CHED N#CCCCOc1cccc(/C=C/C(=O)c2cscn2)c1 776191177 FSOXPFLHGLRMIG-VOTSOKGWSA-N 298.367 3.722 30 20 CHED Cn1ccc(/C=C/C(=O)c2cc3ccccc3s2)n1 780189400 ZHYGIBCYAARCJW-VOTSOKGWSA-N 268.341 3.531 30 20 CHED CC[C@@H](C#N)OC(=O)CCSc1ccccc1Cl 781131226 IXJLIEFPBZDWHC-JTQLQIEISA-N 283.780 3.668 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cc(C(=O)O)cs2)c1 782199464 DTOBIMAUMMNLGH-WAYWQWQTSA-N 286.352 3.959 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H]2CC[C@@H](C)C2)cc1 783305817 AQPIBQRREZKDIE-IJEWVQPXSA-N 257.377 3.538 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 784201192 XKQSZFVKXMQVFI-VHRBIJSZSA-N 289.762 3.691 30 20 CHED C[C@H](ON=C(c1ccccc1)C(F)(F)F)c1cnccn1 784673014 WMAHLDXKYASALJ-JTQLQIEISA-N 295.264 3.521 30 20 CHED CCOCCON=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1 788441636 UQNIALOSOAFFFU-WDEREUQCSA-N 287.812 3.934 30 20 CHED C#CCSCCN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 788591162 HGWFHCKESIRXOC-GRYCIOLGSA-N 299.892 3.850 30 20 CHED Cc1cccnc1NN=Cc1ccsc1Cl 790185936 LJVLQGAECWHRNS-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CC(C)C[C@H]1CCCC(=NNCC(F)(F)F)C1 794534503 ITIQWWQHUJNBJT-SNVBAGLBSA-N 250.308 3.731 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCCCC(F)(F)C1 794596344 VYNWDWMFPCEIRD-CQSZACIVSA-N 285.378 3.902 30 20 CHED CCC(=NNc1ncccc1F)c1cc(C)ccc1OC 794990325 LQUQDQHFPGMMKA-UHFFFAOYSA-N 287.338 3.764 30 20 CHED CCc1cc(C#N)ccc1OCC[C@@H](O)c1ccccc1 795229139 GMZFJXOAXGEWHZ-QGZVFWFLSA-N 281.355 3.623 30 20 CHED Cc1cnc([C@H](C)OC(=O)C[C@H](CC#N)c2ccccc2)o1 795985684 MEEWUZDPHVWOLA-ZFWWWQNUSA-N 298.342 3.675 30 20 CHED C=CCOc1ccc(CNCc2cc(C)c(C)cc2O)cc1 796442232 NBHIWCOTBCXOBK-UHFFFAOYSA-N 297.398 3.864 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1cccc(C#N)c1 798370804 YDRXYSKRPLQFTA-FPLPWBNLSA-N 279.343 3.540 30 20 CHED C=CC[C@H](NCc1cn(C(C)C)nc1C)c1ccncc1 798492262 BSTUAYQVBGXKDO-KRWDZBQOSA-N 284.407 3.574 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC)c(C2CC2)c1 798550994 KHEARXQBBZVUFA-AWEZNQCLSA-N 273.376 3.657 30 20 CHED C#C[C@H](NC(=O)c1cc2c(ccc3ccccc32)[nH]1)C(C)C 799042805 PYLARBLPIGFBJX-INIZCTEOSA-N 290.366 3.709 30 20 CHED C=CCC[C@H](NC(=O)C#CC)c1ccc(C(F)(F)F)cc1 801176995 BJCKEDGFBOPJTG-AWEZNQCLSA-N 295.304 3.852 30 20 CHED C[C@H](C#N)OCCSc1nc2cc(Cl)ccc2o1 801653744 KWBUTGPDGJYALF-MRVPVSSYSA-N 282.752 3.502 30 20 CHED C[C@@H](C#N)OCCS[C@H]1CCCc2ccccc21 801657452 KPSVKRXKGHGZHV-WFASDCNBSA-N 261.390 3.726 30 20 CHED N#CCCCCCC(=O)OCC(=O)c1cccc(Cl)c1 805697267 SMZWXZXEKAWYEZ-UHFFFAOYSA-N 293.750 3.540 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@H](C2CC2)C1 806005326 ZOOGBFIXPJJPJG-HNNXBMFYSA-N 264.413 3.564 30 20 CHED O=C1/C(=C/c2ccccc2)C[C@H](C(=O)O)c2ccccc21 806560452 MBYUYMOLPJHROE-ISBHARSQSA-N 278.307 3.525 30 20 CHED C[C@@H]1CCC(=NNc2nccnc2C2CCC2)C[C@H]1C 807990737 AWADXKTTWUIFIT-VXGBXAGGSA-N 272.396 3.968 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1nccnc1C1CCC1 807993238 WUMOHPRCYIFJLJ-UHFFFAOYSA-N 296.349 3.646 30 20 CHED N#CCCCCCC(=O)n1ccccc1=NC1CCCCC1 808062944 ICVFFCPNASZRRE-UHFFFAOYSA-N 299.418 3.836 30 20 CHED Cc1cc(OC(=O)CCc2ccoc2)c(C)c(C)c1C#N 809037193 OSQZUKLFWMYLQN-UHFFFAOYSA-N 283.327 3.615 30 20 CHED C#CCCCNC[C@H](C)c1ccc(C(F)(F)F)cc1 809624346 KSBSLTUFHNDBJZ-LBPRGKRZSA-N 269.310 3.812 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(Cl)c1C 810020401 NZEBODOBQSNNBV-UHFFFAOYSA-N 283.758 3.811 30 20 CHED C=CCCCCCCCN[C@@H](C)C1CCN(C)CC1 810243989 WMVOFOUNBSEBBS-INIZCTEOSA-N 266.473 3.833 30 20 CHED C#CCCCOC(=O)c1c(F)cc(C(F)(F)F)cc1F 811418360 IMVWFUFDQJZTQU-UHFFFAOYSA-N 292.203 3.554 30 20 CHED C(=NOCc1ccccc1)c1ccc2[nH]ccc2c1 811637396 VXZUZBFGBILWAC-UHFFFAOYSA-N 250.301 3.719 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC[C@H]1CCCF 811667802 DIJUIVHRPFMGRB-GJZGRUSLSA-N 292.398 3.949 30 20 CHED CCCC(Cc1ccccc1)=NOCCOC(C)C 812239379 UNSFZFUWFNIQQF-UHFFFAOYSA-N 263.381 3.827 30 20 CHED C#Cc1cccc(NC(=O)N(C)Cc2cccc(C)c2C)c1 814535760 KARGARXAFBCVCE-UHFFFAOYSA-N 292.382 3.949 30 20 CHED Cc1ccc(NN=C2COc3c(C)cc(Cl)cc32)nc1 814831728 ONLQQWDKPXLPAM-UHFFFAOYSA-N 287.750 3.560 30 20 CHED FC(F)C1CC(=NNc2nnc(-c3ccccc3)s2)C1 814947923 QGQRTJLGALYJCV-UHFFFAOYSA-N 294.330 3.648 30 20 CHED c1cncc(-c2noc(NN=C3CCCC34CCCC4)n2)c1 814950203 VOAYVGNRUSGBJV-UHFFFAOYSA-N 297.362 3.644 30 20 CHED Cc1cc(C)c([C@@H](C)NCc2cc(C#N)ccc2F)c(O)c1 815595362 OVOZTLFQXQZTTC-CYBMUJFWSA-N 298.361 3.871 30 20 CHED C=CCC(F)(F)C(=O)NCCCCC1CCCC1 815720423 FAZYWRYOHFZOFO-UHFFFAOYSA-N 259.340 3.675 30 20 CHED C#Cc1ccc(C(=O)N(C(C)C)[C@@H](C)c2ccsc2)nc1 817485260 JJWNAHDDYUMFQQ-ZDUSSCGKSA-N 298.411 3.736 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1csc(C(C)C)n1 819816831 PVUNCENAZHMLAC-NSHDSACASA-N 288.420 3.736 30 20 CHED Cc1ccc2c(c1)OCCCC2=NN[C@@H](C)c1ccncc1 819816902 RSUWAVLPQXELEW-AWEZNQCLSA-N 295.386 3.618 30 20 CHED CC(C)C#CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 820010199 CCUUFZNNXNPBFI-CQSZACIVSA-N 298.411 3.619 30 20 CHED C#C[C@H](NC(=O)Nc1cccc(SC(F)F)c1)C(C)C 821554307 WRXCVNMWPGVWKS-LBPRGKRZSA-N 298.358 3.781 30 20 CHED CCC(CC)CN(CC)C(=O)c1cc(C#N)ccc1F 822010972 NDDYAGWIERWBNT-UHFFFAOYSA-N 276.355 3.596 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)c1cccc(F)c1 823736527 FLDRSHJOCYSBGQ-IGEOTXOUSA-N 274.383 3.991 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)c1cc(C)c(C(=O)O)o1 825665274 XSNLBQVDZRQUHW-NSHDSACASA-N 292.331 3.659 30 20 CHED CC(C)(C=NNc1cc(C(F)(F)F)ccn1)CCC#N 834983826 HZACTMXLTQELLR-UHFFFAOYSA-N 284.285 3.828 30 20 CHED C[C@H](NN=C1CC(c2ccc(F)cc2)C1)C(F)(F)F 835003617 ZPGOYUROIVHJHL-PEHGTWAWSA-N 274.261 3.600 30 20 CHED C[C@H](CC(C)(C)C)NCc1ccc(N(C)CCC#N)cc1 835066252 XBVNKVJCLALMQQ-OAHLLOKOSA-N 287.451 3.951 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1 835077685 VSWICFMOZHRSAQ-AGIUHOORSA-N 282.343 3.830 30 20 CHED C=CCC1(C(=O)OCc2nc3ccccc3n2C)CCCC1 835095298 XNOBQODKHRVDOD-UHFFFAOYSA-N 298.386 3.753 30 20 CHED C=C[C@](C)(CC)COC(=O)c1coc2c1C(=O)CCC2 835335613 COHKEFSZVWLWKY-MRXNPFEDSA-N 276.332 3.558 30 20 CHED C=CCC[C@@H](C(=O)OCc1cn(C)nc1C)c1ccccc1 837654236 TWQIPIGOJFNZDH-QGZVFWFLSA-N 298.386 3.522 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)c1csnn1 840885749 HARXXUISQWXCLZ-RYUDHWBXSA-N 253.415 3.714 30 20 CHED FC1(F)CCC(=NNc2ncccc2Cl)CC1 842524058 IRICASNISXNUTN-UHFFFAOYSA-N 259.687 3.712 30 20 CHED C#CC1CCN(C(=O)c2ccc(SC(C)C)cc2)CC1 843708978 DXGMNCYRUFQICL-UHFFFAOYSA-N 287.428 3.673 30 20 CHED C=C[C@H](CC)OC(=O)c1ccc(C(F)F)cc1F 847674270 DADLZXIUUYQJIA-SECBINFHSA-N 258.239 3.885 30 20 CHED C=CCCCCCCCNC(=N)Nc1ccccn1 849029276 NIVNHBDFFPVGFC-UHFFFAOYSA-N 260.385 3.544 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)O[C@@H](C)CC(C)(C)C#N 851204776 USWQKIQJAASXHB-YNEHKIRRSA-N 251.370 3.684 30 20 CHED C=CC(C)(C)CCOC(=O)[C@@H](c1cccnc1)C(C)C 851300323 QXZQDWKVEYSKGR-OAHLLOKOSA-N 275.392 3.967 30 20 CHED C=C[C@@H](OC(=O)C[C@@H](C)n1nc(C)cc1C)c1ccccc1 851453147 NSQBVAGQDJDKEE-NVXWUHKLSA-N 298.386 3.922 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H](CC=C)C2)CCCCC1 855436572 FUAHZBYJUZIRBZ-MRXNPFEDSA-N 273.420 3.775 30 20 CHED CCCCCCCCC(=O)NCCc1ccoc1 855771391 JNLYWDUTBQGSSU-UHFFFAOYSA-N 251.370 3.689 30 20 CHED C=CCC1(NC(=O)C[C@]2(C)CC2(Cl)Cl)CCCC1 855928716 WKWOMKDBSQYAOU-GFCCVEGCSA-N 290.234 3.966 30 20 CHED C=CCC(F)(F)C(=O)N(c1ccc(C#N)cc1)C1CCC1 857676598 RZIMELOLGXCECI-UHFFFAOYSA-N 290.313 3.655 30 20 CHED CCCCCCCNC(=O)C[C@H]1CCC[C@H](OC)C1 862357513 WXKMQVXUCNTXLI-GJZGRUSLSA-N 269.429 3.668 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(Cl)nc2)no1 867168005 ZKVORFULHQIYRO-AWEZNQCLSA-N 277.755 3.563 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1ccc2cccnc2c1 870307010 VMSVIEZSPNXIEE-SFHVURJKSA-N 299.370 3.620 30 20 CHED Cc1coc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1 878897369 JANIGUZCMFLEJS-UHFFFAOYSA-N 296.370 3.758 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCCc3c2[nH]c2ccc(F)cc32)C1 886629384 CKGFKIRXWZLTIQ-PPHDSNJXSA-N 297.377 3.966 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1nn(C(C)C)cc1Cl 889552131 DPXTYCCEQQEURL-NSHDSACASA-N 298.818 3.984 30 20 CHED CC(=O)c1ccc(NCC2(C#N)CC2)cc1C(F)(F)F 893653343 QAFDBESCNZDBRT-UHFFFAOYSA-N 282.265 3.624 30 20 CHED N#C[C@@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 896501358 QEELCXOBBCWOKD-VIFPVBQESA-N 274.311 3.502 30 20 CHED CCN(C(=O)/C=C(/C)Cl)[C@@H](C)c1ccc(C#N)cc1 900341869 IDYWBMBOYBIYOL-MMRAYRKESA-N 276.767 3.610 30 20 CHED CCc1onc(C)c1C=NNc1ccc(C)cc1Cl 901248940 ONYYBRVJMZCTQP-UHFFFAOYSA-N 277.755 3.953 30 20 CHED CCO[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 901414064 XEMSBHIODVBLBS-QMMMGPOBSA-N 290.310 3.755 30 20 CHED CCCc1nc(CSCc2cc(C#N)ccn2)cs1 901758484 RPOKIHOZEQIIDK-UHFFFAOYSA-N 289.429 3.796 30 20 CHED CN(C)Cc1ccc(-c2csc(CC#N)c2)s1 904859926 SABRFRAHBUPONX-UHFFFAOYSA-N 262.403 3.604 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccnc(-c3ccco3)c2)C1 905928971 JFOOSKHNBDTZCZ-JSGCOSHPSA-N 296.326 3.581 30 20 CHED Cc1ccc(/C=C/C(=O)OCCCCC2(C#N)CCC2)cn1 909163278 DAGUMGUDOHOVFI-BQYQJAHWSA-N 298.386 3.811 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)CCCCC)c1 915340238 RFZAKSZWYNSFCQ-CYBMUJFWSA-N 258.365 3.758 30 20 CHED CC(C)Oc1ccc(C=NNCc2ccccc2)cc1 915950913 GQIJWDVUBDUMCO-UHFFFAOYSA-N 268.360 3.598 30 20 CHED CC(=NNc1nc(C)cc(O)n1)c1ccc(C(C)(C)C)cc1 916241804 WABMQXWUQGBWAM-UHFFFAOYSA-N 298.390 3.624 30 20 CHED CN(C)c1ccc(C=NNc2ccc(F)cc2F)s1 916250684 HJBUVXAEFQCGPY-UHFFFAOYSA-N 281.331 3.538 30 20 CHED O=[N+]([O-])c1ccccc1C=NNc1cccc(Cl)c1 916269371 JQOVAEQFIJZFRD-UHFFFAOYSA-N 275.695 3.694 30 20 CHED Sc1nnc(-c2cccs2)n1N=CC1CCCCC1 916314369 YQOGCAFINNVYNJ-UHFFFAOYSA-N 292.433 3.710 30 20 CHED Cc1ccc2c(C=NNc3ncccc3Cl)c[nH]c2c1 917546696 UFCNJSHMGFQHGJ-UHFFFAOYSA-N 284.750 3.971 30 20 CHED CCCCCCCC(=O)OCc1nc(C(C)(C)C)no1 919222581 FAADTKNWWLXQOG-UHFFFAOYSA-N 282.384 3.771 30 20 CHED COc1ccc(F)cc1[C@@H](C)N[C@H](C)CC(C)(C)C#N 924705813 MNQRZDCDZDHDJV-VXGBXAGGSA-N 278.371 3.813 30 20 CHED C#CCCCCN[C@@H](c1ccccn1)c1ccccc1OC 925528390 SQNUQOGGOXXGKS-LJQANCHMSA-N 294.398 3.573 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1cccc(Br)n1 926350021 GANSYBXZJMGMIE-GHMZBOCLSA-N 283.213 3.849 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCCC(F)(F)C1 926361842 PLFIHIORXSIPIY-NEPJUHHUSA-N 258.356 3.730 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1ccccc1C(C)(C)C 1123336642 JXKUWWDXAHWDOK-CQSZACIVSA-N 295.386 3.691 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc3ncsc3c2)c(F)c1 1125631395 IQLFRYLUZISQAL-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C[C@H](C#N)OCCN1C[C@H](C(C)(C)C)Cc2ccccc21 1196919960 QNUPYWNQFVYQOS-GDBMZVCRSA-N 286.419 3.640 30 20 CHED CN(C)c1ncccc1/C=C/C(=O)c1cc2ccccc2o1 1258513166 SMBVLKXXPVKMGP-MDZDMXLPSA-N 292.338 3.790 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1ncccn1)c1ccc(F)c(F)c1 1262262423 NLIPJSYITKSBMM-XHDPSFHLSA-N 289.329 3.723 30 20 CHED CC(C)[C@@H]1CCCCCN1C(=O)c1cccc(C#N)c1 1266687950 QTNGGQWCZBTPDU-INIZCTEOSA-N 270.376 3.599 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@]1(C)CCCC[C@H]1C 1310419273 ZSFKQMWSDSRFDG-SJKOYZFVSA-N 285.391 3.957 30 20 CHED C=CCN(C(=O)c1ccc2cc(OC)ccc2c1)C1CC1 1319767636 QAOFOWGXDXMIOA-UHFFFAOYSA-N 281.355 3.639 30 20 CHED CCOc1ccccc1C=NOCc1ncoc1C(C)C 1319975786 BRNLXEAKXFSZGD-UHFFFAOYSA-N 288.347 3.747 30 20 CHED C=C[C@H](COC)N[C@H](C)Cc1c(Cl)cccc1Cl 1320306535 VZOJUUSBOAUANM-GHMZBOCLSA-N 288.218 3.715 30 20 CHED CC(=NOC(C)(C)C)c1ccc([N+](=O)[O-])cc1Cl 1320852333 YNSRUXQMDUPJAP-UHFFFAOYSA-N 270.716 3.787 30 20 CHED N#CCCSCCc1ccc(OC(F)(F)F)cc1 1325555586 OBLLGAKNQJICJB-UHFFFAOYSA-N 275.295 3.775 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCCc1nc(C)cs1 1336759756 OQMXSOQDQBIBLU-AWEZNQCLSA-N 292.448 3.731 30 20 CHED CC(C)(CC#N)CNc1ccc(C#N)c(Br)c1 1337189063 BMOUINKNTTVQLI-UHFFFAOYSA-N 292.180 3.673 30 20 CHED N#C[C@H](C(=O)c1cccc2c1CCCC2)c1cccc(F)n1 1347218416 OCNGWPHHTRHNPD-HNNXBMFYSA-N 294.329 3.590 30 20 CHED N#CC[C@H](OC(=O)[C@@H]1CC2CCC1CC2)c1ccco1 1350312409 VMUCWIVUWTVVDW-SJQFEJMWSA-N 273.332 3.604 30 20 CHED C=C[C@H](CC)CC(=O)OC[C@H](C#N)Cc1cccs1 1358220083 OIAWPDIXSBIZCB-OLZOCXBDSA-N 277.389 3.576 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CCCC2(CC2)C1 1359141770 RCFNCIWLMRYBJU-UHFFFAOYSA-N 294.830 3.534 30 20 CHED CC(C)C[C@H]1CCCN1CCc1ccc(C#N)cc1 1459413676 GRZLUEVWDHUBQY-QGZVFWFLSA-N 256.393 3.611 30 20 CHED N#Cc1nc(N(CC2CCC2)CC2CC2)sc1Cl 1472765743 KKSWYVYZMQXJCA-UHFFFAOYSA-N 281.812 3.685 30 20 CHED CC[C@H](NC1CC(C#N)(c2ccccc2)C1)C(F)(F)F 1474457548 ZYRVWNPFRNHZMP-MOKVOYLWSA-N 282.309 3.541 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)C[C@H](C)COC)c1cccs1 1519366475 NFVKENGBHXXSSA-YWPYICTPSA-N 295.404 3.555 30 20 CHED C[C@@H](OC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 1524302456 PRHWSBKTGBYYIY-XJOINEQPSA-N 283.371 3.989 30 20 CHED N#Cc1ccc(F)c(NC(=O)Cc2cccc(Cl)c2)c1 1528040082 AOUALFSCMMYKAZ-UHFFFAOYSA-N 288.709 3.532 30 20 CHED Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C 1530862788 UGVMONYWKAHIDP-IOASZLSFSA-N 284.403 3.669 30 20 CHED CC(C)N(C(=O)c1sccc1C#N)c1cccc(F)c1 1533432364 ZGHZJWJOYUEEIT-UHFFFAOYSA-N 288.347 3.814 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(F)cc(C#N)c1 1535146643 XVEFFNGBKXAJON-HNNXBMFYSA-N 296.345 3.905 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)NCC[C@H](C)CC 1562256053 ZHYJKYCYCYOERL-GFCCVEGCSA-N 289.379 3.515 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2cscc2Cl)c1 1583716285 VCBYAVHCIMURSN-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C=C(C)CCN[C@@H](C(=O)O)c1ccc(Cl)cc1Cl 1588559347 MUFBIQMNZYTURE-GFCCVEGCSA-N 288.174 3.675 30 20 CHED C=CCCC[C@H](NC/C=C(\C)C(=O)O)c1ccccc1 1588797650 IKOBDAKWHHDIKS-GRNBYLDVSA-N 273.376 3.705 30 20 CHED C=CCCCCCCCN[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 1588798827 SADSDHXRMNKULW-YHUYYLMFSA-N 279.424 3.602 30 20 CHED CCCC[C@H](CC)CC(=O)NCc1ccc(C#N)c(F)c1 1597467983 ATVLRMNPWWHBNB-ZDUSSCGKSA-N 290.382 3.920 30 20 CHED Cc1ccc(C)c2c1CC/C(=C\c1ccc(C(=O)O)[nH]1)C2=O 1600391622 MIKLYMJYCAROBD-FMIVXFBMSA-N 295.338 3.542 30 20 CHED C[C@@H]1CC[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)C[C@H]1C 1633673657 PFBZOWPDOLJJLX-AHCXZYCDSA-N 298.430 3.700 30 20 CHED C[C@@H](Nc1cncc(C#N)n1)c1cccc(C(F)(F)F)c1 1639143739 SUDSENIAXJAJRS-SECBINFHSA-N 292.264 3.540 30 20 CHED N#Cc1nc(N2CC[C@@H]2c2ccc(F)cc2)ccc1Cl 1640136210 WCFMRSNAJBFQMJ-CQSZACIVSA-N 287.725 3.697 30 20 CHED CC[C@H]1CCC[C@H]1CNc1c(C#N)cccc1C#N 1655488238 WJOKMAICOWHKTC-WFASDCNBSA-N 253.349 3.668 30 20 CHED CC[C@@H]1CCC[C@H](C)N1CCOc1cccc(C#N)c1 1659529511 VCCNQPLVIDSWRJ-GOEBONIOSA-N 272.392 3.590 30 20 CHED N#Cc1c(F)cccc1CN[C@H]1C[C@H](c2ccccc2F)C1 1659628197 FGYYRHNVMISYJK-HDJSIYSDSA-N 298.336 3.872 30 20 CHED Cc1ccccc1CCNC(=O)Nc1scc(C)c1C#N 1661564549 WNALRRVHJRDRPE-UHFFFAOYSA-N 299.399 3.601 30 20 CHED Cc1c(NN=C2C[C@H](C)CC[C@@H]2C)cccc1C(=O)O 1776087950 GRGNSYYMORNXHW-MNOVXSKESA-N 274.364 3.917 30 20 CHED CC#CCSc1nn(-c2ccccc2)c(=S)s1 6820266 JBRRODFDZXQIBR-UHFFFAOYSA-N 278.427 3.779 30 20 CHED C=CCNC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 53512400 PIVISPIDEKMSJU-ZETCQYMHSA-N 291.153 3.679 30 20 CHED CC(C)(C)CN(CCC#N)Cn1cc(-c2ccccc2)cn1 104656968 AJDVPCKLACJEDL-UHFFFAOYSA-N 296.418 3.769 30 20 CHED COc1cccc([C@H]2CCCN2Cc2ccccc2C#N)c1 9903097 HATVINZIYFPQSK-LJQANCHMSA-N 292.382 3.904 30 20 CHED CCCOc1cccc(NC(=O)c2sccc2C#N)c1 52030679 JRJBWPONGZVDLQ-UHFFFAOYSA-N 286.356 3.661 30 20 CHED CN(C(=O)c1sccc1C#N)c1nc2ccccc2s1 52029839 JJESSQFEOPCDCR-UHFFFAOYSA-N 299.380 3.506 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)C1 56817208 VZIQNTOIEHSYPQ-GDBMZVCRSA-N 299.418 3.526 30 20 CHED CC[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 119861222 UKHFRNZDRPVWJX-IUODEOHRSA-N 275.783 3.824 30 20 CHED C=CC1CCN(C(=O)c2c(C)oc3ccc(OC)cc23)CC1 110362697 UCFDBJSJFMLEAU-UHFFFAOYSA-N 299.370 3.788 30 20 CHED CC1(C)CCC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)C1 179382462 SHNHUHYEQWHKKG-UKRRQHHQSA-N 298.386 3.550 30 20 CHED CC(C)(C)CCCC(=O)N(CC#N)c1ccccc1 171463664 SMOLPYMDQDPYMT-UHFFFAOYSA-N 258.365 3.760 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1ccc(C#N)cc1)C2=O 63411704 LRZAAOKHUOYNBC-CXUHLZMHSA-N 289.334 3.834 30 20 CHED CC(C)(C(=O)O[C@H]1CC[C@@H](C#N)C1)c1cccc(Cl)c1 179892940 HQYUHHDABPDVMU-RISCZKNCSA-N 291.778 3.853 30 20 CHED C#CCCCNCc1ccc(-c2c(F)cccc2F)o1 174611836 BFMMGWYTTJMHDN-UHFFFAOYSA-N 275.298 3.728 30 20 CHED CC[C@@H](C)CN(CC)c1nc(C)c(C#N)cc1Cl 310925167 CFVKDFZBRCTJHO-SNVBAGLBSA-N 265.788 3.788 30 20 CHED C[C@@H]1Cc2ccccc2[C@H]1NCC(C)(C)CCC#N 348213348 ITHHDMWEKRTBLG-CJNGLKHVSA-N 256.393 3.839 30 20 CHED Cc1nc(N[C@H]2CCC(C)(C)C2)c(Cl)cc1C#N 311135098 RVLNMINBRIBANB-NSHDSACASA-N 263.772 3.906 30 20 CHED C#CCCCNC(=O)c1ccc(Oc2ccccc2)cc1 172940564 CAURDWNAWVOLAT-UHFFFAOYSA-N 279.339 3.622 30 20 CHED C=CCCCC(=O)N1CCC(Oc2ccc(F)cc2)CC1 175686769 XCOLKNKOKTZRTG-UHFFFAOYSA-N 291.366 3.552 30 20 CHED CC[C@H](OC(=O)c1cc(C#N)cs1)c1ccccc1 175852866 YPFPVEJPLYQOEU-ZDUSSCGKSA-N 271.341 3.928 30 20 CHED Cc1cc(C)cc(N/C(N)=N/Cc2ccccc2C)c1 303778327 JMLXXSBLKDHPMA-UHFFFAOYSA-N 267.376 3.539 30 20 CHED C[C@@H](CC#N)NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 179742286 WSCTYRPQKVWIDB-PMPSAXMXSA-N 294.439 3.560 30 20 CHED CCc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2o1 178257305 HQUZOHWNLKEOQE-AWEZNQCLSA-N 290.322 3.880 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1occc1C 173041090 BFFHPEPUUKDJIY-UHFFFAOYSA-N 283.331 3.534 30 20 CHED C=C[C@H](CC(=O)N1[C@@H](C)CC[C@H]1C)c1ccccc1 127297276 DQWUGINXQJQSIP-QLFBSQMISA-N 257.377 3.746 30 20 CHED CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 128052286 GBHQSUWCWZTEQL-KRWDZBQOSA-N 284.403 3.989 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1ncc(C)s1 180881107 HHTSTBQHEGGCJN-JQWIXIFHSA-N 281.425 3.557 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc(F)ccc2C)s1 79263439 HDMDEFQHHSJYIJ-UHFFFAOYSA-N 288.347 3.882 30 20 CHED CS[C@H]1CCC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1 181768564 SWBKHARZPMUKLB-WQVCFCJDSA-N 274.433 3.883 30 20 CHED C=CC1CCN([C@H](C)c2nc3ccccc3o2)CC1 181106565 UOGOAICBHGXCAK-GFCCVEGCSA-N 256.349 3.787 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2nccs2)C1 187669609 QHXLMGOATICDMG-CJNGLKHVSA-N 297.427 3.955 30 20 CHED C=C[C@H](CC(=O)OCc1nc(C)cs1)c1ccccc1 122350374 YVISSXODLFELSL-CYBMUJFWSA-N 287.384 3.855 30 20 CHED N#Cc1ccc(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)o1 189514037 VLXLRNNYHCYVEU-HOTGVXAUSA-N 280.371 3.652 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1ccc(C#N)c(O)c1 188612888 VNNGDRQHKVSWQX-UHFFFAOYSA-N 288.391 3.551 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(c2ncc(C#N)cc2F)C1 413179082 YRQDETHRICBRRT-BDJLRTHQSA-N 299.324 3.819 30 20 CHED Cc1cnccc1NC(=O)N[C@H](CCC#N)c1ccccc1 121191009 KOZAJJMLBQBDLK-MRXNPFEDSA-N 294.358 3.557 30 20 CHED N#CCC1CCN(Cc2coc3ccccc23)CC1 334889799 BOXSWQWEFCVWIK-UHFFFAOYSA-N 254.333 3.558 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 185908045 GWMGRFGXHKOYOJ-YOEHRIQHSA-N 296.414 3.876 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ncc(Br)s1 129640043 WYECJMIHUWDWLJ-HTQZYQBOSA-N 275.215 3.521 30 20 CHED C=CCn1c(Cc2ccccc2)nnc1SCCC 122731926 BVAVJJNXMNKIRW-UHFFFAOYSA-N 273.405 3.557 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@@H]1CCC[C@H]1C 411063576 LQJONMPKXXZTPS-RISCZKNCSA-N 284.359 3.526 30 20 CHED C=CCC[C@H](N[C@@H]1COC(C)(C)C1)c1ccccc1 417952623 ORSBEZZJZWMPSZ-HOTGVXAUSA-N 259.393 3.851 30 20 CHED CCC[C@H](C)C(=O)Nc1cccc(C#N)c1Br 416079309 MVMDYBUZKJNHBM-VIFPVBQESA-N 295.180 3.695 30 20 CHED C=C[C@@H](C)NC(=O)CCOc1cc(C)ccc1C(C)C 501954266 RUUOKGUPKAPKLH-CQSZACIVSA-N 275.392 3.578 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc2ccsc12 410116511 CBZNEIQMDZVKPL-GFCCVEGCSA-N 259.374 3.986 30 20 CHED C[C@H](NCCCCO)c1ccc(-c2cccc(C#N)c2)cc1 411500159 FTQBEBOLWXOOIV-HNNXBMFYSA-N 294.398 3.648 30 20 CHED N#Cc1ccccc1OCCSCC1CC(F)(F)C1 419405772 VQDWCZBSFHGDQM-UHFFFAOYSA-N 283.343 3.716 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCOC(C)C)cc1 186642468 BPMHWVVRMWBARG-AWEZNQCLSA-N 297.826 3.894 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)Cc2ccccc21 120666355 NLUDZUYNLSURQG-XGICHPGQSA-N 256.251 3.787 30 20 CHED C[C@@H]1CCCC[C@@H]1CN(CCC#N)Cc1ccccn1 183048076 ADFSDEMQVZKGNT-HZPDHXFCSA-N 271.408 3.624 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](C)c1ccc(C)cc1 185227633 QXBAMERCWOXZEP-HNNXBMFYSA-N 257.377 3.708 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1nc2cc(C)ccc2n1C 187575439 HSSXILRHOYXXLL-UONOGXRCSA-N 271.408 3.572 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)C12CCCC2 315813163 ISCKFBMMCPOXKM-JCGIZDLHSA-N 298.430 3.947 30 20 CHED C#CCCOc1ccc(CN(C)[C@H](C)c2cccnc2)cc1 183718118 UTUNPVBZDBLQDP-MRXNPFEDSA-N 294.398 3.677 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 245416705 FLAMCYHFTMJDKH-KBXCAEBGSA-N 262.356 3.751 30 20 CHED Cc1ccccc1-c1nnc(S[C@@H](C)CCC#N)n1C 188250231 KKRSPPLXCMUSSF-LBPRGKRZSA-N 286.404 3.575 30 20 CHED CC(C)(C#N)CCCCSCCn1cc(Cl)cn1 419575263 AYKFWDJUFIVBME-UHFFFAOYSA-N 285.844 3.990 30 20 CHED N#CC1(/C(O)=N/[C@H]2CSc3ccccc32)CCCC1 329664207 QGONEPOUNASYDM-LBPRGKRZSA-N 272.373 3.874 30 20 CHED CC(C)(C#N)CCCCN1C[C@@H](O)C[C@@H]1c1ccccc1 411926621 QDMNKIZPHVMODE-DLBZAZTESA-N 286.419 3.514 30 20 CHED C=C(C)CNCc1cc(Cl)ccc1Br 160318076 GGOOURLVODPLCQ-UHFFFAOYSA-N 274.589 3.768 30 20 CHED Cc1ncc(N=C(O)[C@H]2CC=CCC2)c(C2CC2)n1 328795058 SWXNHBAVLYRDIV-LBPRGKRZSA-N 257.337 3.607 30 20 CHED C#CCCCC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 192272409 RPFIOTLULKNEBH-QZTJIDSGSA-N 283.415 3.708 30 20 CHED CC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1nc(C)cs1 192836856 MNMPTIDWWWIZDT-YNEHKIRRSA-N 263.410 3.575 30 20 CHED C=CCC1(C(=O)N2CCCC[C@@H](SCC)C2)CCC1 191625154 KDXAOWRARFJHTN-CQSZACIVSA-N 281.465 3.867 30 20 CHED C[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 194621841 BHJTXEVSRPYLST-LLVKDONJSA-N 268.272 3.606 30 20 CHED C=CCCCCCNc1ccc(CNC(=O)OC)cc1 195449213 BHMOXPJXIZBCKV-UHFFFAOYSA-N 276.380 3.701 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 134386275 IABHVYJKUJPGRQ-CJNGLKHVSA-N 285.391 3.991 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(OC)c(O)c1)c1ccccc1 195199366 VRONBGQTAPSOTL-OAHLLOKOSA-N 297.354 3.699 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 134385345 KLAMPGOYANOYTL-INIZCTEOSA-N 285.391 3.991 30 20 CHED C[C@@H](/N=C(/O)c1ocnc1C1CC1)C1CCCCC1 329653827 LPFIZSCWHOCTPD-SNVBAGLBSA-N 262.353 3.825 30 20 CHED COC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(C)C 514982645 HCEAEBHBJBJMEF-ROUUACIJSA-N 286.419 3.586 30 20 CHED CCCc1nc(C(O)=Nc2nc(C3CCC3)cs2)co1 328748260 QKSANNPGKMTXCG-UHFFFAOYSA-N 291.376 3.987 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1cccnc1 225049862 ZKDMKQDULDHDOJ-VURMDHGXSA-N 260.296 3.526 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C)c(C(C)=O)c1 194456141 LBAMPYJAVUISOQ-CYBMUJFWSA-N 273.376 3.672 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(F)c1F 192162771 IVTXKOSYRAYINF-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=C1CCN(Cc2cnc(-c3ccccc3)s2)CC1 513449889 BMBYLDYNDCKIBP-UHFFFAOYSA-N 270.401 3.962 30 20 CHED N#Cc1ccc(SC[C@H]2CCC3(CCCC3)O2)nc1 335240580 XCURQOBSRIQXOH-CYBMUJFWSA-N 274.389 3.537 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@](C)(OC)c1ccccc1F 190602533 CVVHZRSRTOEHJL-GUYCJALGSA-N 293.382 3.548 30 20 CHED C[C@H](SCCCC#N)c1nc(-c2cccs2)no1 190911801 NRNACUZJSPLOBU-VIFPVBQESA-N 279.390 3.896 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1cccc(F)c1F 179912852 WMMIOFWYINFLBG-LLVKDONJSA-N 272.298 3.687 30 20 CHED CC(C)c1ccoc1-c1noc(CC(C)(C)C#N)n1 426225058 DIOOSTMLJOCHPX-UHFFFAOYSA-N 259.309 3.545 30 20 CHED Cc1sccc1CN[C@H](C)c1ccc(C#N)cc1 294328963 YLZVKALQIICMOD-LLVKDONJSA-N 256.374 3.779 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C)cc(Br)c1 232069969 CENMLLVFTFXVHQ-CYBMUJFWSA-N 295.180 3.636 30 20 CHED N#CCCN(Cc1csc(Br)c1)CC1CC1 267116502 ZFBVVBNEJYYHKP-UHFFFAOYSA-N 299.237 3.636 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(-c2ccco2)cc1F 335270778 GFJBRGVSCHPDOE-HWPZZCPQSA-N 284.290 3.574 30 20 CHED C=C(Cl)CNCc1ccc(Cl)c(Br)c1 162740699 RBVDVPJILUDACX-UHFFFAOYSA-N 295.007 3.945 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(N2CCCCCC2)c1 334764454 LEUDFTXJJGKXQK-KBXCAEBGSA-N 297.402 3.555 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)Cc1ccc(CC)cc1 337866566 QMZZQIKZALTUCI-UHFFFAOYSA-N 296.418 3.540 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(CC#N)C2CCCC2)o1 93563291 MEXKCHSXTXPGDE-SWLSCSKDSA-N 258.365 3.671 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/C2CCCCC2)c1C 331110414 IFFYYZBWUBOPBZ-NSHDSACASA-N 278.400 3.821 30 20 CHED Cc1nc(CC2CC2)oc1C(O)=Nc1nc(C)c(C)s1 330023968 JJXDCGFKGZPLIV-UHFFFAOYSA-N 291.376 3.645 30 20 CHED C[C@H](Cc1nnc(SCCCC#N)o1)c1ccccc1 97603464 LTVQVZKGBULWSZ-GFCCVEGCSA-N 287.388 3.812 30 20 CHED C[C@@H](CC(=O)N1CCc2c(C#N)cccc21)c1ccccc1 421652633 SZFOYOKWHKEQBY-AWEZNQCLSA-N 290.366 3.641 30 20 CHED C[C@H]1CC=CC[C@@H]1COC(=O)c1cccc(CC#N)c1 97364332 VWIZWIIEHIDHBB-XJKSGUPXSA-N 269.344 3.512 30 20 CHED C=CCN(CC=C)C(=O)C1(c2ccc(F)cc2)CCCC1 514699014 MYCPFOMFXWQAHH-UHFFFAOYSA-N 287.378 3.838 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 338129863 JFKFPTHTQUZFNS-SCLBCKFNSA-N 290.366 3.700 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ncc(C(C)(C)C)s1 439432050 PLHNZBIMXMNQSB-SNVBAGLBSA-N 281.425 3.917 30 20 CHED Cc1csc(NC(=O)c2ccc(F)cc2Cl)c1C#N 335136231 VPJDXGPKNYFKRW-UHFFFAOYSA-N 294.738 3.973 30 20 CHED CC(C)(C#N)CCCCN1CCC(N2CCCCC2)CC1 232530805 ORBVPBYLXQKKGL-UHFFFAOYSA-N 291.483 3.657 30 20 CHED C=CCNC(=O)NCC1(c2ccc(F)cc2)CCCCC1 513887226 AGZSEVRIWQJYLU-UHFFFAOYSA-N 290.382 3.513 30 20 CHED Cc1oc(C(C)C)cc1/C(O)=N/[C@@H](CO)CC1CCCC1 330611944 WMMOTRJFCCEFIP-CQSZACIVSA-N 293.407 3.957 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)c(Cl)cc1F 439961280 ZDTFTZIJAFVJRE-UHFFFAOYSA-N 277.126 3.782 30 20 CHED N#CCCN(Cc1ccccn1)C[C@H]1C[C@@H]1c1ccccc1 93100517 HDVYRUXCRZNPGE-IEBWSBKVSA-N 291.398 3.601 30 20 CHED OC(=Nc1ccc(C(F)(F)F)nc1)[C@@H]1CCCOCC1 330139069 OQVPKWNMDAVITA-SECBINFHSA-N 288.269 3.505 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1OCCCC 522652975 LUJHJZGQEUXOID-CYBMUJFWSA-N 276.380 3.952 30 20 CHED Cc1csc([C@H](N[C@H]2CCC[C@@H](C#N)C2)C2CC2)n1 248879221 KFRYZAUQXRSDMV-KWCYVHTRSA-N 275.421 3.575 30 20 CHED Cc1nsc(NCC(F)(F)c2ccccc2)c1C#N 343230031 MNSGDCZUNAZDLE-UHFFFAOYSA-N 279.315 3.527 30 20 CHED CCOc1cccc([C@H]2C[C@H]2Nc2snc(C)c2C#N)c1 342919305 UBKOPPJVDAXDMN-UKRRQHHQSA-N 299.399 3.690 30 20 CHED CCCCCCCCCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C 247213055 CHJMHIBMHIJOLD-IAGOWNOFSA-N 296.499 3.926 30 20 CHED C=CCCCCN[C@H]1CCCOc2ccc(OC)cc21 349309664 DWVKQNYWPOOANW-INIZCTEOSA-N 275.392 3.855 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(CC#N)c2ccccc2)C1 245766433 WKMJRZNRTRFWKA-FICVDOATSA-N 270.376 3.615 30 20 CHED C[C@H]1[C@H](C)CCCN1Cc1cccc(OCCCC#N)c1 245551335 BDHSXAVLDUGTBA-CVEARBPZSA-N 286.419 3.990 30 20 CHED N#Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 245688943 JFGMONVXSBGDNA-FGTMMUONSA-N 296.414 3.781 30 20 CHED C[C@H](C#N)C(=O)Nc1cc(F)ccc1Oc1ccccc1 345865948 CDLVOSMAIXCLOM-LLVKDONJSA-N 284.290 3.716 30 20 CHED N#Cc1nn(C[C@@H]2CCc3ccccc32)c2ccccc12 432466869 UXFZECYFORNFAK-AWEZNQCLSA-N 273.339 3.638 30 20 CHED C=C1CCN(C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 604865984 RORYPCPTLNDGKT-NVXWUHKLSA-N 271.404 3.995 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H]1C[C@H](c2ccccc2)C1 437784822 DEEAAKFCCFCQCL-DJIMGWMZSA-N 286.419 3.977 30 20 CHED CC[C@@H](CCc1ccccc1)NC[C@H](C)CCC#N 602719303 AYDJPGFTCUOORI-WBVHZDCISA-N 258.409 3.927 30 20 CHED CCOc1cccc(C=Nc2ccc(C)cc2)c1O 254759955 OGXNMINMZVBDDZ-UHFFFAOYSA-N 255.317 3.850 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)OCCCC#N 255831209 OEEDVBMBZVTUNC-KHPPLWFESA-N 263.724 3.590 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H](C)C(C)(F)F)cc1C#N 343220438 SGEZRYXUSCEMEC-SNVBAGLBSA-N 296.317 3.575 30 20 CHED C[C@H](CCC#N)CNCC(C)(C)c1ccccc1F 602531685 WTHVGIHHFWOQPD-CYBMUJFWSA-N 262.372 3.633 30 20 CHED COc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1C#N 340155691 ZXEFSHRNHXOCKL-AWEZNQCLSA-N 292.382 3.686 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCSCC 438313531 UUUMOJBCHIKXDQ-UHFFFAOYSA-N 266.406 3.864 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)c2ccsc2)cc1 345748272 JJNKZSMWFAQIKM-MLGOLLRUSA-N 298.411 3.795 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cccnc2C)cc1 255012122 RPYZMRVJJCFEAO-FLIBITNWSA-N 267.328 3.685 30 20 CHED Cn1ncc(CSCCC(C)(C)C#N)c1C(F)(F)F 341930904 SVSAPOPUANELSC-UHFFFAOYSA-N 291.342 3.612 30 20 CHED CCc1ccc(-c2noc(C(C#N)(CC)CC)n2)cc1 528071255 IITGGNWPQFGHDI-UHFFFAOYSA-N 269.348 3.880 30 20 CHED CCOc1cccc([C@H](C)NC(=O)C(C#N)(CC)CC)c1 528282190 SGUORZXFCPEOSQ-ZDUSSCGKSA-N 288.391 3.592 30 20 CHED CC1(c2cc(C(F)F)nn2-c2cccc(C#N)c2)CC1 601933474 ZPAMOHRZLCZMST-UHFFFAOYSA-N 273.286 3.733 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2cn(C)nc2CC)cc1 255550836 WNJLMYVILXKFJU-FLIBITNWSA-N 298.386 3.667 30 20 CHED C=CC(C)(C)C(=O)NCCc1c(Cl)cccc1Cl 448775932 UTVPLGOHBIWLLF-UHFFFAOYSA-N 286.202 3.864 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H]2CCc3sc(Cl)cc32)C1 353576035 MJZCNEGBNWKEBS-KKZNHRDASA-N 266.797 3.671 30 20 CHED C=CCCCN(C)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 449904365 WIXAPGKRNCZNRA-IAGOWNOFSA-N 271.404 3.995 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCSc1ccccc1 537187470 HOZCIYPTFWCGAW-AWEZNQCLSA-N 292.448 3.823 30 20 CHED COC1(c2noc(/C=C\c3ccc(C#N)cc3)n2)CCCC1 445381747 AOSBVQKSUVPPOJ-HJWRWDBZSA-N 295.342 3.527 30 20 CHED C[C@@H]1SCCN(CC2(CC#N)CC2)[C@H]1c1ccccc1 602778559 GYOLFRUVWYZLAQ-GOEBONIOSA-N 286.444 3.859 30 20 CHED CC1(C)CN(Cc2cccc(C#N)n2)[C@H]1c1cccs1 602661435 FKVHJTJJNKTCOB-HNNXBMFYSA-N 283.400 3.598 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1C 448822540 KZCMIFWINUZODU-ZIAGYGMSSA-N 256.349 3.632 30 20 CHED C=C(C)CN(CC)CCOc1ccc(SC)cc1 441189821 PWKSYKGCUMZISH-UHFFFAOYSA-N 265.422 3.685 30 20 CHED CC(C)(C#N)CNc1cc(C#N)ccc1C(F)(F)F 357701260 AGXHPDZYAONNEU-UHFFFAOYSA-N 267.254 3.539 30 20 CHED C=CCCC1(C(=O)N2CCc3ccc(F)c(F)c3C2)CC1 356449142 TZDQUIGGWPJOAL-UHFFFAOYSA-N 291.341 3.596 30 20 CHED CCCN(CC(C)(C)CCC#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 537618394 XZYRNIUOAAFMGB-BZUAXINKSA-N 292.467 3.842 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(F)cc1NC(C)C 266124012 XGNBZWVIYZBVEY-LBPRGKRZSA-N 294.370 3.566 30 20 CHED C[C@H](C#N)CN(C)Cc1cc(Cl)sc1Cl 449016082 MKSVZTLTIQBFSF-SSDOTTSWSA-N 263.193 3.646 30 20 CHED C=CCCCCCN1CCC[C@@]2(CCCCO2)[C@H]1C#N 447902354 DXSYQLJXGUIBGU-SJORKVTESA-N 276.424 3.660 30 20 CHED C=C(C)[C@H](CC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C)OCC 535134288 RSMPYNFIBRNJPH-WCVJEAGWSA-N 279.424 3.537 30 20 CHED Cc1cn(Cc2ccc(OC(F)(F)F)cc2)cc1C#N 533228242 NPNXRHGMNHJHNV-UHFFFAOYSA-N 280.249 3.615 30 20 CHED Cc1occc1-c1noc(CSc2ccc(C#N)cc2)n1 354024092 KGLJWYWFQHXCEA-UHFFFAOYSA-N 297.339 3.802 30 20 CHED CC(C)(C)c1ccc(OCCN[C@@H]2CC[C@@H](C#N)C2)cc1 442764612 CUHHYKWIBCBTQT-GDBMZVCRSA-N 286.419 3.645 30 20 CHED N#CC1(NC(=O)C2CCC(c3ccccc3)CC2)CCC1 266259950 KNLCPAOZKGCLTE-UHFFFAOYSA-N 282.387 3.523 30 20 CHED N#C[C@]1(F)CCN(CCCOc2ccc3ccccc3c2)C1 615645866 LTTCUQLHRCBKDH-GOSISDBHSA-N 298.361 3.546 30 20 CHED CCCOc1cc(F)ccc1N[C@H]1CC[C@@H](C#N)C1 442868986 DGNUFZWKHMJSAF-YPMHNXCESA-N 262.328 3.719 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CN(C)Cc2ccccc21 537947092 HUBANODCROIMPD-NVXWUHKLSA-N 258.409 3.508 30 20 CHED CSc1cc(CNc2c(F)cc(C#N)cc2F)ccn1 357205926 VBBCCBGPSHFIST-UHFFFAOYSA-N 291.326 3.565 30 20 CHED Cc1oc(-c2ccccc2)nc1CN1CCC[C@](C)(C#N)C1 612161968 HOAQHRUFQYEKQT-GOSISDBHSA-N 295.386 3.776 30 20 CHED N#CCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 533898459 USVOHFSFMAJZIY-UHFFFAOYSA-N 290.366 3.736 30 20 CHED CC(C)n1ccnc1CN[C@@H](CCC#N)c1ccccc1 611406958 ITQNOQGBCWHCAQ-INIZCTEOSA-N 282.391 3.599 30 20 CHED COCc1ccc(SCCOc2ccc(C#N)cc2)cc1 610480797 YYGUYPUGKBYLBG-UHFFFAOYSA-N 299.395 3.876 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCOc2ccccc2C1 614539371 UMXVYEQQTNLQOD-CQSZACIVSA-N 278.355 3.514 30 20 CHED N#Cc1ccc(CC(=O)Nc2ccc(C3CC3)cc2)cc1 611307587 SYZLWSWSMOIQQU-UHFFFAOYSA-N 276.339 3.617 30 20 CHED C[C@H](Cc1ccc(F)cc1)N[C@H]1CCc2cc(C#N)ccc21 618741780 IEESJPFMOUMEDC-YJYMSZOUSA-N 294.373 3.905 30 20 CHED CC(C)Cc1ccc([C@H](C)NCC2(C#N)CC2)cc1 611433104 IAMYOOPWQCNPQK-AWEZNQCLSA-N 256.393 3.839 30 20 CHED C[C@@H](NC(=O)N1CCC[C@H]1C1CCC1)c1cccc(C#N)c1 610356160 LDRRADTTZZYEOD-DYVFJYSZSA-N 297.402 3.593 30 20 CHED CCC(CC)[C@H]1C[C@H](Nc2nccc(C)c2C#N)CCO1 612092294 CSXWSXQMVWVGGJ-GDBMZVCRSA-N 287.407 3.657 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)ccc1SC 156881336 CEMRDVRLVOQZRS-UHFFFAOYSA-N 270.785 3.712 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1OC(C)(C)C 454802240 SCUBYGYKZRVDTA-UHFFFAOYSA-N 276.380 3.952 30 20 CHED N#CCCCC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 457267214 BJJYHQAHHMNQSK-QGZVFWFLSA-N 282.387 3.824 30 20 CHED C=CCC1(CNC(=O)CC[C@@H]2CC[C@@H](C)O2)CCCC1 456482205 DCWKTBQREPMCLZ-CABCVRRESA-N 279.424 3.587 30 20 CHED C=CCN(C(=O)[C@@H](C)CCCc1ccccc1)C1CC1 538316481 XSAKWVFOZFGTAB-HNNXBMFYSA-N 271.404 3.822 30 20 CHED CC(F)(F)CCN[C@@H]1CCCCc2cc(C#N)ccc21 453216596 HOMZFOKSZOPZQR-OAHLLOKOSA-N 278.346 3.961 30 20 CHED CC(C)(CC#N)CNCc1cc(Br)cs1 459686539 FTXQEOTUFNGHNX-UHFFFAOYSA-N 287.226 3.540 30 20 CHED Cc1ccc(CN(CCO)CCCCC(C)(C)C#N)cc1 278587548 DBNXPXPVQBYOKZ-UHFFFAOYSA-N 288.435 3.509 30 20 CHED C[C@@H]1C[C@H](c2ccc(F)cc2)CN1[C@H]1CC[C@H](C#N)C1 278727625 VOFFPAZJLRDPKN-RMRKRWHISA-N 272.367 3.696 30 20 CHED CCc1cccnc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 618808106 ZEMBFOVDWSLCQX-ACJLOTCBSA-N 291.398 3.854 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](c1ccccc1)C1CC1 452775452 OIJXZZXCWGJXCB-HNNXBMFYSA-N 257.377 3.509 30 20 CHED C=CCC[C@H](CCC)NCc1cn2cccc(C)c2n1 545191518 ZGNWTGAEMPUAPK-HNNXBMFYSA-N 271.408 3.867 30 20 CHED CCCC(CCC)[S@](=O)Cc1ccc(CC#N)cc1 543125588 BURKAVODJBFNRK-LJQANCHMSA-N 277.433 3.970 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccnc1Cl 272175784 DZHVSVYHNXMGHV-GFCCVEGCSA-N 297.789 3.947 30 20 CHED N#CC1(c2ccccc2)CC(N[C@@H](C2CC2)C(F)(F)F)C1 367883556 DJGLQMXKQJICOM-SLTAFYQDSA-N 294.320 3.541 30 20 CHED C=C(C)CN(C)C(=O)Cc1cc(Cl)cc(Cl)c1 626383429 QXPHBVOZRSHAPF-UHFFFAOYSA-N 272.175 3.570 30 20 CHED C=CCC1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCC1 456490596 XIOWOOPTDSPEKH-UHFFFAOYSA-N 294.376 3.523 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccnn1[C@@H](C)CC(C)C 360511819 NUDIKXMLPVHCRT-OLZOCXBDSA-N 278.400 3.576 30 20 CHED Cc1cccc(C(C)(C)CNCc2ccc(C#N)s2)c1 540595680 OPRJRSMLDMDTGZ-UHFFFAOYSA-N 284.428 3.996 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1cc(F)ccc1OC 546657536 YVTOHWZEXBAPOQ-DGCLKSJQSA-N 294.370 3.549 30 20 CHED CCO[C@H]1C[C@@H](Nc2cc(C(C)=O)ccc2C#N)C12CCC2 273257554 XFFDIMWWHASPLA-SJORKVTESA-N 298.386 3.520 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 467062160 YEVYVEXETIVOEO-ROUUACIJSA-N 279.383 3.978 30 20 CHED CC(C)CC1(CNC(=O)N2CCC(CC#N)CC2)CCC1 542850005 LWPDTPDRKWXWBZ-UHFFFAOYSA-N 291.439 3.538 30 20 CHED CCC[C@]1(C)CCCN(c2c(C#N)nnc3ccccc23)C1 463062420 PYJJXQXTSVSPHT-GOSISDBHSA-N 294.402 3.908 30 20 CHED N#Cc1ccc(Oc2ncnc3c2CCC3)c2ccccc12 549298694 GBYMWBSJUOANGT-UHFFFAOYSA-N 287.322 3.782 30 20 CHED C=CCC1(NCc2noc(CCCC)n2)CCCCC1 625936296 HFNSSLKIAPGMGS-UHFFFAOYSA-N 277.412 3.781 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(OC(C)(C)C)cc1 463027014 BMQBPFQUGAYJLU-LSDHHAIUSA-N 291.435 3.699 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ncsc1C(C)C 289939595 SQESEPPYEDNUKK-JTQLQIEISA-N 267.398 3.743 30 20 CHED COC(=O)Nc1cccc(NCCCC(C)(C)C#N)c1C 280755306 YGFMCIQUYZCJOR-UHFFFAOYSA-N 289.379 3.915 30 20 CHED C=CC[C@H](C)NC(=O)NCC1(Cc2ccccc2)CCC1 466508472 FXSOJFLOPNXGRA-HNNXBMFYSA-N 286.419 3.663 30 20 CHED C[C@@H](CCc1ccccc1)CNCCc1cccc(C#N)c1 466424954 KITYDOZUHGPRTO-KRWDZBQOSA-N 292.426 3.959 30 20 CHED Cc1cccc(NCCCC2(C#N)CCOCC2)c1F 281351891 XDHOUUVWUMPQJD-UHFFFAOYSA-N 276.355 3.647 30 20 CHED CC#CCCSc1nc(C)c(C)n1CC(C)C 462412184 SNCVWAPGMHKKEF-UHFFFAOYSA-N 250.411 3.661 30 20 CHED CC[C@]1(CN[C@H]2CCC[C@H](C#N)C2)OCCc2ccccc21 289926982 VGRNQFRGYIVAKE-VDZJLULYSA-N 298.430 3.537 30 20 CHED CC(C)CCN=c1c(C#N)c[nH]c2ccc(Cl)cc12 461443535 BKUPTGFFJXCXBQ-UHFFFAOYSA-N 273.767 3.640 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 281581356 BNUQEPIYEBCEKS-DOMZBBRYSA-N 291.366 3.506 30 20 CHED CSc1cccc(NC(=O)c2ccc(C#N)cc2F)c1 1349565144 SEJCCEAKBXBVDE-UHFFFAOYSA-N 286.331 3.672 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3cc(C#N)ccn3)C2)cc1 557675541 PLILOYDUYCUBAU-RHSMWYFYSA-N 277.371 3.644 30 20 CHED C=CCOc1ccc(CN[C@@H](CC)C(C)(C)O)cc1Cl 555627090 BONCDSFVOIHHFX-HNNXBMFYSA-N 297.826 3.544 30 20 CHED CC#CCN1CCC[C@H]1c1nc2ccccc2n1C(C)C 471017167 GWVNGLBSQJBGBD-KRWDZBQOSA-N 281.403 3.777 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@H]1CCCF 800816906 SFCWITBCUKDMFV-LBPRGKRZSA-N 278.375 3.918 30 20 CHED N#Cc1ccc(CN(CC2CCC2)CC2CC2)s1 475671741 BOFVRLBLMRJBAH-UHFFFAOYSA-N 260.406 3.632 30 20 CHED C=CCC[C@@H](CCC)NCc1oc(CC)nc1C 291792978 BHVWJHOXQULUFO-CYBMUJFWSA-N 250.386 3.770 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1cnc(C)s1 637654163 HHPCGXPAPZGVFE-JTQLQIEISA-N 281.425 3.557 30 20 CHED CCCN(C(=O)CCCC#N)c1ccc(Cl)cc1 291658457 FKZPWICIONHWPZ-UHFFFAOYSA-N 264.756 3.777 30 20 CHED C=CCCCCCCNC(=O)C=C(C1CC1)C1CC1 805219326 GDESEGNYCRDXRK-UHFFFAOYSA-N 261.409 3.986 30 20 CHED C[C@@H](C#N)OCCSCc1nc(Cl)ccc1Cl 802751735 OQFYNUBHQSIFQW-QMMMGPOBSA-N 291.203 3.550 30 20 CHED C=C[C@@H](CC(=O)N1CCC(CF)CC1)c1ccccc1 295722615 KUMIEUZCWYHZKQ-HNNXBMFYSA-N 275.367 3.554 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C(C)(C)C2CC2)n1 805891317 QGWKAKJGDYGGSW-LLVKDONJSA-N 276.405 3.879 30 20 CHED COc1cc(F)cc(NN=C[C@H](C)C(C)(C)C)c1 800814250 RMICBFCMWRJDTK-JTQLQIEISA-N 252.333 3.914 30 20 CHED C#C[C@@H](C)N[C@@H](C)CCc1cccc(C(F)(F)F)c1 809683786 OZHYSYZCEMZQHW-NEPJUHHUSA-N 269.310 3.638 30 20 CHED Cc1cc(COC(=O)CCc2ccc(C#N)cc2)cs1 806023267 HCXWGSODZNHIKD-UHFFFAOYSA-N 285.368 3.604 30 20 CHED C#Cc1ccc(CNCc2ccccc2OCC2CC2)cc1 809620558 KAZBHYGLRDMNJT-UHFFFAOYSA-N 291.394 3.747 30 20 CHED C[C@@H]1C[C@@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccccc2O1 295112480 VHEDKFITJXIDOF-HGTKMLMNSA-N 270.376 3.571 30 20 CHED C=CC[C@@H](C)NCCCc1c(F)cccc1Cl 568713530 UINBPVUBUIYTBI-LLVKDONJSA-N 255.764 3.966 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1C 807989826 OLSYADOVZFXEIW-LLVKDONJSA-N 261.325 3.881 30 20 CHED CC(C)(C)c1nc(COC(=O)CCCCCC#N)cs1 805695388 TVYSEELWYVYNFO-UHFFFAOYSA-N 294.420 3.958 30 20 CHED CCCc1nc(C)c(C(=O)O[C@H](C)c2ccc(C#N)cc2)o1 292256188 PQRBAOTYCWMRMJ-GFCCVEGCSA-N 298.342 3.725 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CCCCCC#N 808802792 DSWLZCDEQZUWES-UHFFFAOYSA-N 270.332 3.500 30 20 CHED C=CCOCCCN(Cc1ccc(Cl)cc1)C1CC1 470723105 NIVXYUIETSADKM-UHFFFAOYSA-N 279.811 3.897 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCCOc1cc(C)ccc1C 803781550 HLFVNPYGPJLYNJ-KRWDZBQOSA-N 289.375 3.555 30 20 CHED C=C(Cl)COC(=O)[C@H](C)Cn1ccc2ccccc21 803794314 PJVLFGOSYNIIGW-LLVKDONJSA-N 277.751 3.573 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 473327982 NYXHXWXURLTRKV-ARFHVFGLSA-N 297.402 3.957 30 20 CHED CC(C)[C@@H](C#N)NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 470156686 QRXYCWAZSZTSQN-OKZBNKHCSA-N 292.382 3.608 30 20 CHED C=CCCCCN1CCC(C(=O)c2ccccc2)CC1 562528690 WBYARJXPQMSXDG-UHFFFAOYSA-N 271.404 3.938 30 20 CHED C=CCCCCCCNC(=O)Nc1ncc(C)s1 806136041 ZCHCZOYZRDUTMF-UHFFFAOYSA-N 267.398 3.710 30 20 CHED N#Cc1cc(N2CCCC3(CCCCCC3)C2)ccn1 561206501 SASNMXKQBMSEGS-UHFFFAOYSA-N 269.392 3.894 30 20 CHED N#Cc1c(NC(=O)C2(F)CCCCC2)sc2c1CCC2 812826167 FEWPYNAOBZMQNI-UHFFFAOYSA-N 292.379 3.719 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(CCC(C)=O)cc1 819943096 GQNRLOXPQVSSLS-UHFFFAOYSA-N 274.360 3.716 30 20 CHED CCCCCCCCCNC(=O)c1cccc(CO)c1 813406596 XZPRKKOJECMQEQ-UHFFFAOYSA-N 277.408 3.659 30 20 CHED N#CCC1(OC(=O)c2ccc(-c3ccccc3)[nH]2)CCC1 810858243 RKORXZVKQTZHFR-UHFFFAOYSA-N 280.327 3.675 30 20 CHED C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cccc(C#N)c1 488472540 YUYNMLCVIARWSF-ZDUSSCGKSA-N 295.342 3.659 30 20 CHED c1ccc(C2CC(=NN[C@@H]3C[C@H]4CC[C@H]3C4)C2)cc1 814893291 KZSXOIOYDKQCDP-LHVFUGCLSA-N 254.377 3.698 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=NNc3ncccn3)c2c1 811638581 ROUXAFVGRLHMKJ-UHFFFAOYSA-N 293.374 3.701 30 20 CHED CC#CCCNC(=O)N(CCC(C)C)CCC(C)C 483407960 OGYRLXLDADQGPO-UHFFFAOYSA-N 266.429 3.504 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccc2[nH]ncc2c1 814900192 IEDQWONFAYEZRS-CYBMUJFWSA-N 281.363 3.681 30 20 CHED C=CC[C@H](C(=O)OCc1occc1C)c1ccccc1 816100545 IZVNQLHXVJCFOK-HNNXBMFYSA-N 270.328 3.991 30 20 CHED C#CCCCCc1nc(C2(c3ccc(F)cc3)CC2)no1 818428396 ONGDFEOVDMAIBI-UHFFFAOYSA-N 284.334 3.635 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](OC(C)C)C2)CCCC1 650323948 CPSOUDRTYJVCGG-HNNXBMFYSA-N 279.424 3.539 30 20 CHED C=C(C)COc1cc(CN[C@@]23CCC[C@H]2C3)ccc1OC 657550783 KAVTWFNOSKLWTQ-MAUKXSAKSA-N 287.403 3.682 30 20 CHED C[C@H]1SCCC1=NNc1cccc(Br)c1 814786337 FHFDACSFZCMTHW-MRVPVSSYSA-N 285.210 3.742 30 20 CHED C#CCCCC(=O)Nc1cc(C(C)C)nn1-c1ccccc1 813275751 ARAAQZDPCQWJHZ-UHFFFAOYSA-N 295.386 3.738 30 20 CHED C[C@H](NN=C1CC[C@@H]1c1ccccc1)c1ccncc1 819816963 SYKLXEAYZDQEQH-XJKSGUPXSA-N 265.360 3.666 30 20 CHED C=CCC1(C(=O)Nc2cccc3cc[nH]c23)CCC1 573300560 VLBNQGKJSSQENP-UHFFFAOYSA-N 254.333 3.853 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)o1 814120063 LZFOKBHVPDOXJA-QGZVFWFLSA-N 294.354 3.547 30 20 CHED C=CCC[C@H](C(=O)NCc1ccc(F)cn1)c1ccccc1 489974935 YAVIJTIGZRPCQH-KRWDZBQOSA-N 298.361 3.587 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](CSC)C1 489838425 DHQZVSRKSNMFGJ-KBPBESRZSA-N 284.469 3.516 30 20 CHED C=C(C)CNC(=O)c1cscc1-c1ccccc1 571935832 SYVKQAIKBOFSSJ-UHFFFAOYSA-N 257.358 3.721 30 20 CHED CC(=O)c1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cs1 815280397 IUVUIRTUDXESNI-LLVKDONJSA-N 299.351 3.740 30 20 CHED Clc1ccccc1C=NNCCCOc1ccccc1 729148217 VLCKDYDSNBCCEH-UHFFFAOYSA-N 288.778 3.733 30 20 CHED CCOc1cccc(C(C)=NN[C@@H](C)c2ccncc2)c1 819814815 FKZCINPKKWWLBN-ZDUSSCGKSA-N 283.375 3.555 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 726435950 ZSKNTXPGURWKGS-VWNJHIHFSA-N 298.455 3.779 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](OCC)C12CCCCC2 574776392 VFMDVZFNGYORAW-LSDHHAIUSA-N 293.451 3.833 30 20 CHED CC(C)(C)c1ccc(C(=O)/C=C\c2ccc(N)nc2)cc1 821028787 VWNABOYSZZOMPZ-WMZJFQQLSA-N 280.371 3.857 30 20 CHED N#Cc1cccc(COC(=O)c2cccc(C(F)F)c2)c1 729744272 RBRHUTOAGJNUOA-UHFFFAOYSA-N 287.265 3.853 30 20 CHED N#CC[C@H](Cc1nc(-c2ccccc2)no1)c1ccccc1 571563352 CBCWBKRUQDJLNP-MRXNPFEDSA-N 289.338 3.977 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cccc(C)c1 499309185 MAWGAFOIEZLISD-UHFFFAOYSA-N 279.383 3.866 30 20 CHED C#Cc1cccc(N(C(=O)COC2CCCCC2)C(C)C)c1 728246678 FAGTXNUKBJEOEE-UHFFFAOYSA-N 299.414 3.759 30 20 CHED C#CCCCNC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 823163345 HXFJGPXHJFCRMN-MRXNPFEDSA-N 284.403 3.583 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2cc(C#N)ccc2F)C1 829254518 MWTUMSHFURLFBJ-QGZVFWFLSA-N 288.366 3.740 30 20 CHED C#C[C@H](CC)NC(=O)c1cc(-c2ccccn2)ccc1Cl 491505732 MSCHKBCIDYWDHK-CYBMUJFWSA-N 298.773 3.544 30 20 CHED Cc1cc(Sc2ccc(C#N)cc2)ccc1[N+](=O)[O-] 497648729 VVEPJDKPSLDQRK-UHFFFAOYSA-N 270.313 3.926 30 20 CHED C=C(C)COc1cccc(NC(=O)NC[C@@H]2CC2(C)C)c1 490237842 CNMPOBLDGQNXHX-ZDUSSCGKSA-N 288.391 3.809 30 20 CHED COc1cc(CNCc2c(C)cc(C)cc2C)ccc1C#N 580803760 QAVKMHKVCIRKHP-UHFFFAOYSA-N 294.398 3.782 30 20 CHED Cc1ccc(CCCNc2cccnc2C#N)c(C)c1 589557628 DIAOXVBSFSTICM-UHFFFAOYSA-N 265.360 3.615 30 20 CHED C=CC[C@H](NC(=O)[C@H](CC)CCC)c1ccncc1 820018307 PMYIQOYKUHJJCG-HIFRSBDPSA-N 260.381 3.641 30 20 CHED C#CCN(C(=O)c1ccc(C)c(C(C)=O)c1)C1CCCCC1 491784993 RLSZKGBKQGYJFF-UHFFFAOYSA-N 297.398 3.606 30 20 CHED C=CCCNC(=O)N[C@H](C)c1oc2ccccc2c1C 660431007 CBEKUPYHAJDDJS-GFCCVEGCSA-N 272.348 3.678 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 907597437 RMPSYTLKUHYJTL-GFCCVEGCSA-N 289.375 3.590 30 20 CHED C=CCc1cccc(F)c1OCc1cc(C2CC2)no1 664100306 HSQKNRKJLMBACQ-UHFFFAOYSA-N 273.307 3.999 30 20 CHED CC(=NNc1cnnc2ccccc12)c1ccc(F)cc1C 733750333 UWYXEGUOHSXCAT-UHFFFAOYSA-N 294.333 3.913 30 20 CHED C=CC[C@H](NC(=O)CC1CCCCC1)c1ccncc1 734235119 FFMAFGFKYOEYFV-INIZCTEOSA-N 272.392 3.785 30 20 CHED CS(=O)(=O)c1ccccc1NN=C1CCCCCCC1 731933280 JKTUTCAXDCPYPT-UHFFFAOYSA-N 294.420 3.602 30 20 CHED CCN(CC)c1ccc(/C=C2/C(=O)c3nccn3[C@H]2C)cc1 901560000 DATALLOBNYSTRJ-HKJJFUAXSA-N 295.386 3.570 30 20 CHED CCC[C@H](NC(=O)CCCCCC#N)c1ccccn1 588347926 BHGKOFHOYIHJJR-HNNXBMFYSA-N 273.380 3.513 30 20 CHED C=C[C@@](C)(CCOC)c1nc(C2CCCCCC2)no1 582964980 IQJSORUMAJDDSO-INIZCTEOSA-N 278.396 3.988 30 20 CHED C=C[C@H](CC)Cc1nc(CC2(CSC)CC2)no1 904106122 JDKKVRBSKMYZBG-LLVKDONJSA-N 266.410 3.510 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)O[C@H](C)C(C)(C)C#N 835246423 VTEUOCUXOWZOTE-GFCCVEGCSA-N 274.364 3.609 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)CCCC#N)cc1 837068831 JVCDELFPAJMNRA-UHFFFAOYSA-N 258.365 3.678 30 20 CHED CC1(C)CN(CC#Cc2ccc(F)cc2)[C@H]1c1ccncc1 664834104 UISMMWOJLJHXOB-SFHVURJKSA-N 294.373 3.655 30 20 CHED C=C(C)CCNC(=O)c1ccccc1SC(F)(F)F 836824357 BOWMPFFLCIEIRG-UHFFFAOYSA-N 289.322 3.995 30 20 CHED CCCCCCCC(=O)O[C@H](C)c1csnn1 836094001 BUGPRTJMOVNLAS-SNVBAGLBSA-N 256.371 3.503 30 20 CHED COc1cccc2c1CC/C(=C/c1cccc(O)c1)C2=O 588618065 DHSHRHANFLNDNI-RAXLEYEMSA-N 280.323 3.613 30 20 CHED C=CC[C@H](NC(=O)NC[C@H](C)C(C)(C)C)c1ccncc1 734674598 XXZGKVSENYWMOD-ZFWWWQNUSA-N 289.423 3.680 30 20 CHED CCCCC(CC)=NNC(=S)Nc1cccc(OC)c1 732923686 HPNCOVALSXYLBC-UHFFFAOYSA-N 293.436 3.938 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(F)cc1O 734302579 GUMNWPXQQGTCCC-UHFFFAOYSA-N 298.239 3.785 30 20 CHED N#Cc1ncccc1SC1CC(OCc2ccccc2)C1 582795964 FWKLFTHUTPVFPB-UHFFFAOYSA-N 296.395 3.793 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)NCC(C)(C)CC#N 837887810 MODVVOLMSYNHFV-ZRDIBKRKSA-N 290.794 3.799 30 20 CHED COc1cccc(C)c1C=NN[C@H]1CCCC1(C)C 834975842 AOEDWKMAVMGWEY-HNNXBMFYSA-N 260.381 3.506 30 20 CHED Brc1cc(NN=C2CCCC23CCC3)ccn1 834970636 ZPLXVEOWMVRHCQ-UHFFFAOYSA-N 294.196 3.966 30 20 CHED C=CCC(F)(F)c1nc(-c2cccc3cnccc23)no1 584067834 JBJHHVQGIGXEHD-UHFFFAOYSA-N 287.269 3.953 30 20 CHED C=C(CNC(=O)[C@@H](CC)Nc1ccccc1)c1ccccc1 673342108 LWKNQOXPGIARFL-GOSISDBHSA-N 294.398 3.707 30 20 CHED CCCCCCCC(=O)OCc1nc(C(C)C)no1 919223415 WQBSPWNHXYWEDH-UHFFFAOYSA-N 268.357 3.597 30 20 CHED C[C@@H]1CC(Nc2snc(Cl)c2C#N)C[C@@H](C)C1 739898753 DXJDIJLBFKFJLR-YUMQZZPRSA-N 269.801 3.905 30 20 CHED C=CCN(C(=O)c1ccc(Oc2ccccc2)nc1)C(C)C 916047007 HDDLZIYRTUKOSS-UHFFFAOYSA-N 296.370 3.911 30 20 CHED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C#CC1CC1 837332647 IGCOIBRDFRHJFS-LLVKDONJSA-N 295.304 3.638 30 20 CHED CCOc1ccc(/C=N\Cc2cccc(F)c2)c(O)c1 914773633 NQROOHCGGZHSNT-WQRHYEAKSA-N 273.307 3.549 30 20 CHED C=CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353089 QPBFAORICHGVSC-QGZVFWFLSA-N 291.354 3.650 30 20 CHED CC1(C)C[C@@]1(NCCCSCC#N)c1ccccc1 595911476 XBJVFROJORDHEX-MRXNPFEDSA-N 274.433 3.548 30 20 CHED CCCCNN=C(C)c1cc2cccc(OC)c2o1 915966130 MIBUYSOEQMTZGT-UHFFFAOYSA-N 260.337 3.555 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CCC(=O)C[C@H]1C 847743405 AEHHEJFZDZMPTD-DRANZPFZSA-N 292.419 3.916 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C/c1ccco1 917827928 UWSSAWWXAOUVMF-ZHACJKMWSA-N 297.354 3.516 30 20 CHED Cc1cc(NC2CC=CC2)c(C#N)c(NC2CC=CC2)n1 596161754 ZOHVMRTWMSPEMG-UHFFFAOYSA-N 280.375 3.523 30 20 CHED Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](CC#N)C3)cc2c1C 597918488 POKAQTFJLQAGSQ-AWEZNQCLSA-N 295.386 3.551 30 20 CHED COc1ccc(C(=O)/C=C/c2cnc3cccc(C)n23)cc1 748994753 SNQUBQKMXRPNTC-DHZHZOJOSA-N 292.338 3.547 30 20 CHED CCCCCCCCOC(=O)c1c(C)noc1C 918494162 MBDKUQHIGOBBOI-UHFFFAOYSA-N 253.342 3.809 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(F)c(F)c2)cc1 742863793 YCTBFELIMRLWFI-UHFFFAOYSA-N 290.265 3.749 30 20 CHED CC(C)(CNC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 590621575 RLGUYZUOSPDKFH-LJQANCHMSA-N 296.414 3.554 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842535749 LNLPZUDQEJHMJO-CSFVBSKPSA-N 269.392 3.710 30 20 CHED N#CCCCCOC(=O)CCSc1ccc(F)cc1 912958612 UAHRUZOMUVOQFW-UHFFFAOYSA-N 281.352 3.545 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(C#N)cc2)C12CCCC2 743438868 XCKYPNXLWUYNJT-MRXNPFEDSA-N 283.375 3.695 30 20 CHED C=C(C)CON=CC(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1 844618755 GUHKHSYCJSQSIT-HNNXBMFYSA-N 290.363 3.652 30 20 CHED C=CCCCC(=O)NCc1ccc(N(CC)CC)c(F)c1 748313136 YRJWCQLTBSMWAO-UHFFFAOYSA-N 292.398 3.644 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C\C1CCCC1 843547986 QUVFVDZMSNSAKF-QXMHVHEDSA-N 285.387 3.614 30 20 CHED CCCCCCCCCN(C)Cc1cnc(C)nc1 918742119 WSWQHRKKPVYNRI-UHFFFAOYSA-N 263.429 3.967 30 20 CHED C=CCC1(C(=O)Nc2nn(-c3ccccc3)cc2C)CCC1 682894717 ZVTWXMRRIRXNKK-UHFFFAOYSA-N 295.386 3.866 30 20 CHED CCC(=NNc1cccc(Cl)c1)C1CCOCC1 745193353 PEUDVRVUVJUAFS-UHFFFAOYSA-N 266.772 3.945 30 20 CHED N#CCC1(COC(=O)Cc2cc(Cl)ccc2Cl)CC1 744277588 UTVCXIYSVXCLFB-UHFFFAOYSA-N 298.169 3.773 30 20 CHED Cc1ccc(NN=C2[C@@H]3CCCO[C@H]3C2(C)C)cc1 743417442 JBWXUQWZTNWQEQ-DZGCQCFKSA-N 258.365 3.598 30 20 CHED CCCC[C@@H](C(=O)Nc1ccccc1C#N)C(C)C 598797300 KYSYIJHFJQHYJZ-CQSZACIVSA-N 258.365 3.959 30 20 CHED O=C1/C(=C\C2=Cc3ccccc3OC2)Cc2ccc(F)cc21 749002207 KPKZTGVERHRJGY-NVNXTCNLSA-N 292.309 3.967 30 20 CHED CCN(C(=O)c1cc2c(Cl)cccc2s1)[C@@H](C)C#N 598353652 LZFNCQOLKLWHIW-VIFPVBQESA-N 292.791 3.929 30 20 CHED C=C(C)C[C@H](C)c1nc(-c2ccc3cc[nH]c3n2)no1 685374492 JQODIFSQSXVBSO-JTQLQIEISA-N 268.320 3.683 30 20 CHED Cc1cc(C)c(C#N)c(S[C@H](C#N)Cc2ccccc2)n1 596681858 JKKSVCGNUCGOCJ-HNNXBMFYSA-N 293.395 3.797 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(OC)c(C)c1 742377399 UEVROERDHRIBJS-UHFFFAOYSA-N 299.345 3.767 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C/C1CCCC1 843538098 LEWXAPIXDHCPER-FMIVXFBMSA-N 285.362 3.534 30 20 CHED CC(C)CN(CCC#N)CCCCC1(C#N)CCC1 929688995 YXYGYRBRFJXEOV-UHFFFAOYSA-N 261.413 3.722 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)N(CC)CC3)CCC1 682891113 IWHYKQJVLQJULI-UHFFFAOYSA-N 284.403 3.754 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1cnc(C(C)=O)s1 851143912 OLWYTOCNGREUGS-NWDGAFQWSA-N 293.388 3.637 30 20 CHED CO[C@@H](C=NOCc1ccc(C(F)(F)F)cc1)C1CC1 853322930 ISKMFWSCSZGGAF-ZDUSSCGKSA-N 287.281 3.633 30 20 CHED CCC(=CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1)CC 759555922 QMWBPBSATGIBBD-CYBMUJFWSA-N 281.359 3.794 30 20 CHED CC(C)CCOC(=O)N[C@@H](CCC#N)c1ccccc1 859075647 VSLDSXRWUGZNDN-HNNXBMFYSA-N 274.364 3.804 30 20 CHED C#CC[C@@H](NC(=O)N1C2CCCC1CCC2)c1ccccc1 757064290 IUBAWNBZLZEMHI-DAWZGUTISA-N 296.414 3.868 30 20 CHED C[C@H]1CC[C@H](CC(=O)OCc2cc(F)ccc2C#N)C1 759412420 BDJZWNODYXSKJT-RYUDHWBXSA-N 275.323 3.567 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cccc(N2CCCC2=O)c1 925731869 VSNJDRUYVRWPFA-CYBMUJFWSA-N 285.391 3.554 30 20 CHED C=CCCCOC(=O)c1ccc(OC)c(-c2ccccn2)c1 755003894 JGGHZWCHUJJVKY-UHFFFAOYSA-N 297.354 3.880 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccc(Br)cc1 758372570 OJPMTPYUQZIVIR-IUCAKERBSA-N 253.143 3.503 30 20 CHED COCC(=NNc1cccc(C(F)(F)F)c1)C1CC1 754256572 WQPYMAXFEGUWMZ-UHFFFAOYSA-N 272.270 3.530 30 20 CHED C=CCN(Cc1nc2c(s1)CCC2)c1ccccc1 682785013 XMMMEUUVSKDFQU-UHFFFAOYSA-N 270.401 3.824 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(OCC(=O)OCC)cc1 757911370 AIUFFNWNYSPRAE-ZIAGYGMSSA-N 291.391 3.641 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CC[C@H](C)CC1 851206408 RTCUMPKTYBRUAR-AVGNSLFASA-N 251.370 3.684 30 20 CHED C#CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 756997875 PIIFKYBFGQBTGH-GOSISDBHSA-N 296.389 3.746 30 20 CHED CC[C@@H]1CCCC(=NNc2ccc(C(F)(F)F)nn2)C1 754711030 RHTJAAKQKHKDDE-SECBINFHSA-N 286.301 3.864 30 20 CHED CCCCCCCNc1ncc(C(=O)N(C)C)cc1Cl 858647858 COEOJXJCKPCILL-UHFFFAOYSA-N 297.830 3.819 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1ccccc1C)C(C)C 859190115 MCOUSEUKLLNXJW-HNNXBMFYSA-N 259.393 3.597 30 20 CHED CCCOc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1F 858570592 MGQGNPDTLVVFCW-NEPJUHHUSA-N 262.328 3.719 30 20 CHED C#Cc1cccc(NC(=O)N2CCCC23CCCCC3)c1 759902718 RKAUTSZRCRPPNE-UHFFFAOYSA-N 282.387 3.999 30 20 CHED CC(C[C@H]1CCOC1)=NNc1c(C)cc(C)cc1C 751529001 MHAVUDHKEGHDDA-OAHLLOKOSA-N 260.381 3.826 30 20 CHED C#CCN(C(=O)C[C@H](CC)c1ccc(C)cc1)C1CC1 763796264 YAHZCLKMSOVHHZ-HNNXBMFYSA-N 269.388 3.503 30 20 CHED C=C(Br)COC(=O)[C@@H](C)C(CC)CC 761493446 URCOTOKLDMAOMH-VIFPVBQESA-N 263.175 3.511 30 20 CHED CS(C)(=O)=Nc1cccc(NCc2ccccc2C#N)c1 864040721 UZNDNXYQDCXSGU-UHFFFAOYSA-N 299.399 3.529 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)ccc1C#N 766491388 OCOQXWWRINYCPK-WZUFQYTHSA-N 290.366 3.829 30 20 CHED CCCCNc1ccccc1C(=O)OCCCCC#N 767235339 XDRMGFKDAIGUAJ-UHFFFAOYSA-N 274.364 3.749 30 20 CHED Fc1ccc(NN=C2C[C@@H]3CCCc4cccc2c43)nc1 763364288 RXBXUEFPFZFPHO-LBPRGKRZSA-N 281.334 3.861 30 20 CHED C#CCCN1CCC(c2c(C)[nH]c3ccccc23)CC1 764232608 JYVUIVYIVLNVPF-UHFFFAOYSA-N 266.388 3.679 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(OCCC)c(C)c1 863528843 QYCGMSYRKAIBPC-CQSZACIVSA-N 291.391 3.704 30 20 CHED Cc1cc(C(=O)Oc2ccc(C#N)cc2)c(C(F)(F)F)o1 769723752 OCOPMYOPWNSDOH-UHFFFAOYSA-N 295.216 3.698 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCC(C)(C)CC2)cc1 769307209 FLTKGHFMEYTBAP-AWEZNQCLSA-N 272.392 3.599 30 20 CHED CCCCCCCC(=O)N[C@H](Cc1ccccc1)C(C)=O 769658269 YIDZQUPGSAFXPI-QGZVFWFLSA-N 289.419 3.663 30 20 CHED Cc1[nH]c2ccccc2c1C=NNCCc1ccccc1F 764718095 UEFCSTRKZVYDAA-UHFFFAOYSA-N 295.361 3.782 30 20 CHED Cc1ccc(NN=CC2([C@@H]3CCCCO3)CCC2)nc1 872347846 GKYFISYKJVVVKJ-AWEZNQCLSA-N 273.380 3.527 30 20 CHED CCCCCCCNC(=O)c1c(C)ccc(C)c1C(=O)O 872880996 LNOYHPLYXFBXGX-UHFFFAOYSA-N 291.391 3.702 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CSc2ccccc21 878885170 YHTBTVYPRRSYQW-GFCCVEGCSA-N 261.390 3.552 30 20 CHED Fc1cc(C=NNCc2ccccc2)cc(C(F)(F)F)c1 772838047 CFYUDORAKGCFOO-UHFFFAOYSA-N 296.267 3.968 30 20 CHED CCn1c(C)cc(C(=O)O[C@H](C#N)C2CCCCC2)c1C 776363091 GDHUZZXMZJICLB-MRXNPFEDSA-N 288.391 3.754 30 20 CHED C#CCCN[C@H](c1ccc(OCC)c(OCC)c1)C(C)C 774825637 CJYDVBWSXPAWKV-SFHVURJKSA-N 289.419 3.794 30 20 CHED C#CCCCCCC(=O)Nc1cccc2cccnc12 779738990 CCZKLGGIASJWSO-UHFFFAOYSA-N 266.344 3.757 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2O)ccc1C 773144061 VRDJIDDNLPGHCR-MDZDMXLPSA-N 268.312 3.605 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1OC(F)F 1116912133 ZWIFCJYZIYUTBA-HOSYDEDBSA-N 298.308 3.770 30 20 CHED CN(C(=O)C1[C@H]2CCCC[C@H]12)c1ccc(C#N)c(Cl)c1 876167575 TYJUUJRJDQYOHK-STQMWFEESA-N 288.778 3.611 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C(C)=C(\C)CC 779958702 DVNRWTPPCRZSKS-VAWYXSNFSA-N 275.323 3.523 30 20 CHED C=CCN(C)C(=S)Nc1ccc(Cl)cc1Cl 777470766 HAEWWRLMAWMDAY-UHFFFAOYSA-N 275.204 3.808 30 20 CHED CCN(CC)c1ccc(CN(C)CCC(C)(C)C#N)cc1 776574203 FDKYOMFXVKFTJI-UHFFFAOYSA-N 287.451 3.904 30 20 CHED C=C(C)[C@@H](NC(=O)N1CCCCC1)c1ccc(F)c(F)c1 775406100 NQOCOUVXRVDXGF-OAHLLOKOSA-N 294.345 3.778 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1ccc(Cl)o1 779988860 LEXWOGKJPIROGC-SNVBAGLBSA-N 276.723 3.836 30 20 CHED Cc1cc(C=NO[C@@H]2CCCCO2)ccc1Cl 779783195 LIMCJYTYNFFUBK-CYBMUJFWSA-N 253.729 3.526 30 20 CHED C=CCCC(=O)COC(=O)c1coc2cc(C)c(C)cc12 770490906 ROTRKFISEQWVKD-UHFFFAOYSA-N 286.327 3.742 30 20 CHED C=CCN(C(=O)c1ccc(Cl)cc1OCC)C(C)C 779339331 BRWPFZJNYLGIDN-UHFFFAOYSA-N 281.783 3.775 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2cscn2)c(C)c1 776193167 WSQNCBKVOONWIX-SNAWJCMRSA-N 257.358 3.964 30 20 CHED COC[C@@H](C)NN=Cc1c2ccccc2cc2ccccc12 777893426 QNKQOUBHTNQEDQ-CQSZACIVSA-N 292.382 3.951 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ncc(Cl)cc2Cl)C1 1120756704 NQDOMGCGSMODLS-JTQLQIEISA-N 299.201 3.817 30 20 CHED CC1(C)CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C1 781749641 FPBGILSKCBWWIK-NWDGAFQWSA-N 281.359 3.565 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H](C(C)C)C2)CCCCC1 788241214 BXZIVWFSEBCJAJ-MRXNPFEDSA-N 275.436 3.855 30 20 CHED C=C(C)CCC(=O)N[C@@H](CC)c1ccc(OC)cc1 1120538533 PEOQZOKFHSMKMS-HNNXBMFYSA-N 261.365 3.619 30 20 CHED COc1ccc(NC(=O)N(C2CCCC2)C2CC2)cc1C#N 880878806 WSGGJZZKDHFRRV-UHFFFAOYSA-N 299.374 3.506 30 20 CHED Cc1cc(COC(=O)c2cscc2C)ccc1C#N 783996888 DCYYFAZPJKJMSJ-UHFFFAOYSA-N 271.341 3.594 30 20 CHED Cc1cc2c(cc1N[C@H](C)c1ccc(C#N)c(F)c1)OCO2 781424615 CBHBCUDNIAZVDP-LLVKDONJSA-N 298.317 3.908 30 20 CHED COc1ccsc1C=NNc1ccc(C#N)c(Cl)c1 783875874 PDLPYPLNGFDQHV-UHFFFAOYSA-N 291.763 3.728 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1ncncc1Cl 780278446 AOLAAXAQZQYEAZ-ZJUUUORDSA-N 266.776 3.744 30 20 CHED CCc1cccc(Cl)c1C=NNc1oc(C)nc1C#N 788714064 AIBGNFIXIMCKTQ-UHFFFAOYSA-N 288.738 3.517 30 20 CHED C#CCCCCCC(=O)Oc1ccc(NC(=O)C2CC2)cc1 780315757 XPQZVCGIGJJCHQ-UHFFFAOYSA-N 299.370 3.524 30 20 CHED C=CCC(C)(C)c1noc([C@](C)(OC)c2ccccc2)n1 896328575 PMMGGMPZCJPDBG-QGZVFWFLSA-N 286.375 3.833 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(Cl)ccc1OC(C)C 781169652 VVGUQRKOMMGBKO-LLVKDONJSA-N 281.739 3.586 30 20 CHED CCCCCCCCC[C@H](C)CC(=O)N1CC[C@@H](O)C1 787410058 IEXWDQZSIQUNOP-JKSUJKDBSA-N 283.456 3.747 30 20 CHED CCCCCC1=CCCC1=NOC[C@H]1CCOC1 788038608 JJLOMHLLTHDEEU-ZDUSSCGKSA-N 251.370 3.696 30 20 CHED CO[C@@H](C(C)=NNc1ccccc1)c1ccccc1 782098476 TVZAZISLKKPRGH-INIZCTEOSA-N 254.333 3.862 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)Cc2ccccc2)c1 786055332 AKZRTAHFAKGRNQ-CQSZACIVSA-N 294.423 3.586 30 20 CHED C#CC[C@H](OC(=O)/C=C/c1ccccc1C#N)C(C)(C)C 781557028 JYSLNTJGMDCGDR-PCUGXKRQSA-N 281.355 3.553 30 20 CHED CSC1(C(=O)OCc2ccc(C#N)cc2Cl)CCC1 785018831 OPJWLWLHIMQJDI-UHFFFAOYSA-N 295.791 3.541 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cc2ccccc2o1 782288923 SZFQGWWNQNERBR-OAHLLOKOSA-N 256.349 3.935 30 20 CHED N#Cc1cc2ccccc2nc1NC[C@@H]1CCC(F)(F)C1 797437109 GMPVILDQRUZHSI-LLVKDONJSA-N 287.313 3.954 30 20 CHED C=C1CCN(C(=O)N[C@@H](CC)c2cc(F)ccc2F)CC1 893142458 CBRHUKJCMZODLN-HNNXBMFYSA-N 294.345 3.778 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1OCC(C)C 798555079 YNODGTHWAHJUEL-CQSZACIVSA-N 275.392 3.806 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(OCC(F)(F)F)cc2)C1 799720481 ISLBAISEQZRZDH-JQWIXIFHSA-N 284.281 3.732 30 20 CHED C[C@H]1CSCC1=NNc1ccc(C(F)(F)F)cc1 794921717 DRJALVCPCUUBOS-QMMMGPOBSA-N 274.311 3.856 30 20 CHED c1cnc2c(c1)CCCC2=NNc1nc2ccccc2s1 799104907 GYINVIIQVGQIDJ-UHFFFAOYSA-N 294.383 3.844 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1cccc(F)c1F 899367046 UYLJCXVGOBJNBR-FPLPWBNLSA-N 288.297 3.782 30 20 CHED C=CCCCCC[C@@H](C)NCc1c(C)nn(C)c1C 793523333 DMAVYLLUNOLXCU-CYBMUJFWSA-N 263.429 3.652 30 20 CHED CC1(CNN=Cc2ccc(N3CCCCC3)o2)CCCC1 793081515 MAZLAVKWOKDAGX-UHFFFAOYSA-N 289.423 3.774 30 20 CHED C#CC[C@H](N[C@@H]1CCCc2cccnc21)c1ccccc1 798931258 JVMXCZLAEDEIIS-ZWKOTPCHSA-N 276.383 3.813 30 20 CHED COc1ccc(C#N)cc1COC(=O)c1ccoc1C(C)C 796396786 SNSDYCSKQYLQOD-UHFFFAOYSA-N 299.326 3.640 30 20 CHED CC[C@H](C)NN=Cc1cc(Cl)cc2cccnc12 790184189 RUQUTOBURLNMHV-JTQLQIEISA-N 261.756 3.610 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2C(F)(F)F)no1 791431827 KQIREKZLSKPJMI-SREVYHEPSA-N 281.233 3.898 30 20 CHED CSCCON=C(C)Cc1nc2ccccc2s1 794574061 SENNTURUCXMIMX-UHFFFAOYSA-N 280.418 3.594 30 20 CHED CC(=NNc1ncccc1F)c1ccc(OC(F)F)cc1 794994417 VSALDJWVQHAVPA-UHFFFAOYSA-N 295.264 3.658 30 20 CHED CCCCCC(C)(C)CNC(=O)NCC1(CC#N)CC1 797473178 XJDQLVLCPNCHPA-UHFFFAOYSA-N 279.428 3.586 30 20 CHED CC(=NOCc1ccccc1)c1ccc2n[nH]cc2c1 794888586 PWHZWLCRXKBIKQ-UHFFFAOYSA-N 265.316 3.504 30 20 CHED CC(=NN1CCC(C(C)(C)C)CC1)c1nccs1 790178827 LWLZVDCNWJNJEZ-UHFFFAOYSA-N 265.426 3.625 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1cccc(F)c1 794925815 DLEUNIGMHNBGQM-XQRVVYSFSA-N 278.229 3.706 30 20 CHED CC(=NNc1cccc(F)n1)c1cc(C)c(C)cc1C 795009801 KRAMUKXDOKSSLO-UHFFFAOYSA-N 271.339 3.982 30 20 CHED C#CCSCCN[C@@H](c1cc(F)ccc1F)C(C)C 794819316 WEQNISLCOYIPCR-OAHLLOKOSA-N 283.387 3.618 30 20 CHED CC1(C)CCC[C@@H]1NN=C1CCC(C(F)F)CC1 799487527 SGQPMSQGRXRGJR-KFJBMODSSA-N 258.356 3.966 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H](CC)CCCC 791143426 WOMVBMKWBQKBRO-GFCCVEGCSA-N 277.330 3.617 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@H](C)C(C)(C)C 799439986 BDEDGQHPHPZZFN-LLVKDONJSA-N 259.349 3.708 30 20 CHED Clc1cccc(NN=C[C@@H]2CCc3ccccc32)n1 793175713 VNAKUFIGDFSXMM-LBPRGKRZSA-N 271.751 3.863 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cccnc2Cl)c(O)c1 799896754 YNIRAOWICVYFBQ-AATRIKPKSA-N 287.746 3.954 30 20 CHED C=CCC(C)(C)C(=O)OCCCc1ccsc1 796463658 SNLCXOFWBFBKGY-UHFFFAOYSA-N 252.379 3.826 30 20 CHED CC(C)O[C@@H](C=NNc1cccc(F)n1)c1ccccc1 793053753 PGJSYHQUFVWHJM-AWEZNQCLSA-N 287.338 3.785 30 20 CHED CCCCCCCCCCCC(=O)N1CCC[C@@H](O)C1 59090212 SOXUQSKXYHMSQG-MRXNPFEDSA-N 283.456 3.891 30 20 CHED C[C@H](NCc1cc(C#N)ccc1Br)C1CCC1 1308362809 SVKOCRPIUHXHDZ-JTQLQIEISA-N 293.208 3.599 30 20 CHED N#Cc1ccccc1OCCN1CCCc2c(F)cccc21 1307509782 DKHYGBQJCIWWJG-UHFFFAOYSA-N 296.345 3.529 30 20 CHED CCN(CCC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 77266486 GYJRLJHTXKWLRX-NSHDSACASA-N 270.298 3.894 30 20 CHED COc1cc(C=NNc2cc(F)c(F)cc2F)ccc1F 1319692680 ZKTNUJFHOIEDRA-UHFFFAOYSA-N 298.239 3.698 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1csc(C#N)c1 1325182120 ZLPYRLIJCSKVAJ-BXUZGUMPSA-N 276.405 3.661 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2csc(C#N)c2)C1 1326516652 JTHDXWAOQOPJSS-MLGOLLRUSA-N 296.395 3.843 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(-c2ccccc2)o1 1320592603 RWHBOGUZGZSLLQ-DZGCQCFKSA-N 271.360 3.798 30 20 CHED CCSc1ccccc1CN1CCC(C)(C#N)CC1 1249440056 UYPWUSSFGMTWGN-UHFFFAOYSA-N 274.433 3.924 30 20 CHED C=CCOc1ccccc1C(=O)O[C@@H]1C=CCCC1 733433396 BHBPXLBYDOADBU-CYBMUJFWSA-N 258.317 3.517 30 20 CHED Cc1cc(C(C)(C)C)cc(C)c1CN(C)CCC#N 96969399 UXNDJRHDRXRIIW-UHFFFAOYSA-N 258.409 3.946 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc2cccc(C)c2s1 1323715425 VUJUMHDNAUTVPE-UHFFFAOYSA-N 283.396 3.695 30 20 CHED N#C[C@@H](Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 57735026 KRWYWVJGEDWEIB-CYBMUJFWSA-N 270.263 3.584 30 20 CHED C[C@@H]1C[C@H](C=NOC(C)(C)C)CCN1C(=O)OC(C)(C)C 1323618792 QFGXHQBGXALMHQ-CHWSQXEVSA-N 298.427 3.823 30 20 CHED OCCC[C@@H]1CCCCC1=NNCc1ccccc1Cl 1324475891 PAKNSSFHYRKMQV-ZDUSSCGKSA-N 294.826 3.748 30 20 CHED C=C[C@H](COC)N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 1256315464 HRANCQUHBQLQIB-WISYIIOYSA-N 285.840 3.684 30 20 CHED C=CCCC(C)(C)NCc1cccc(Cl)c1O 717894656 PKAJBIOANHWNJC-UHFFFAOYSA-N 253.773 3.880 30 20 CHED C[C@@H]1CN(c2c(C#N)cccc2C#N)Cc2ccccc21 1332236999 HCPIRZVNUDLQRE-CYBMUJFWSA-N 273.339 3.554 30 20 CHED CCOc1ccc(N(C)C(=O)[C@@]2(C#N)CC23CCCC3)cc1 1332957491 BQUGXRFVJCLNQC-SFHVURJKSA-N 298.386 3.522 30 20 CHED CCOCc1ccccc1CN[C@@H](C)CC(C)(C)C#N 695844790 YVGMXBVHJXSKEI-AWEZNQCLSA-N 274.408 3.641 30 20 CHED C=C[C@H](C)N[C@@H]1CCc2c(Br)cccc21 91370179 MYKYRWCSTATPOM-TVQRCGJNSA-N 266.182 3.601 30 20 CHED C[C@@H]1CN(c2cccc(CC#N)n2)CC[C@H]1c1ccccc1 1255096314 SPHCTAGZSHMMIY-CRAIPNDOSA-N 291.398 3.778 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)Nc1cccc(CC#N)n1 1333721771 PNJZBPPDQRIANR-HNNXBMFYSA-N 283.350 3.720 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)/C=C/c1nccs1 1263520588 KRTXLSCSGLYGLH-VSONXHSHSA-N 277.389 3.834 30 20 CHED Cn1cc(-c2nnc(C#CC(C)(C)C)o2)c2ccccc21 1349978036 WZWBBGFXEYGKPZ-UHFFFAOYSA-N 279.343 3.626 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1cc2ccccc2o1 1262619800 JVDUAFFKBWDGEO-GFCCVEGCSA-N 257.333 3.966 30 20 CHED C=C(CC(C)C)C(=O)Nc1cnn(-c2ccccc2)c1C 1346696873 WDNKIRBINORMMS-UHFFFAOYSA-N 283.375 3.722 30 20 CHED Cc1ccc(NC(=O)c2csc(C#N)c2)cc1Cl 1349003233 PJNANPBIELEUGT-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC1=C(c2nnc(-c3cccc(C#N)c3)o2)CCC1 1345950922 DVDGEWIVUSLGAZ-UHFFFAOYSA-N 251.289 3.566 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2csc(C#N)c2)C1 1348314631 RNULIQSUEMZDPE-LLVKDONJSA-N 276.405 3.518 30 20 CHED C[C@H]1CC=C(C(=O)O[C@@H](CC#N)c2ccco2)CC1 1518001430 MFGWLGJYPJURTJ-FZMZJTMJSA-N 259.305 3.524 30 20 CHED C[C@@H]1CN(c2nc(Cl)c(C#N)s2)CC(C)(C)C1 804611539 VPIDCVFETBRLJW-QMMMGPOBSA-N 269.801 3.541 30 20 CHED COc1ccc(NC(=O)c2cc(Cl)cs2)cc1C#N 1288070710 HGEKKWMBQSBDGH-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)cc1F 1529895601 LPWYWSYDDOKARY-CZUORRHYSA-N 288.366 3.786 30 20 CHED C#Cc1ccc(CNCCc2ccc(Cl)s2)cc1 809607100 PFUZQJZMGAENOE-UHFFFAOYSA-N 275.804 3.715 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(C(F)F)c2)c(F)c1 1527591537 HDZQUWQKJGGIDW-UHFFFAOYSA-N 290.244 3.887 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 1466354979 QGFIFURHEFBYRL-SJORKVTESA-N 298.430 3.654 30 20 CHED C=C[C@H](Nc1cccc(CSC(C)C)c1C)C(=O)O 1609272375 ODJJVZIHOLZLCM-ZDUSSCGKSA-N 279.405 3.688 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(F)c(C#N)c1 1537433181 LRBSMSCPMYOLPR-QGZVFWFLSA-N 294.329 3.804 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccccc1F 1618209637 XKOLANBRNVFPBA-UHFFFAOYSA-N 266.319 3.650 30 20 CHED CCCCN(Cc1ccccc1F)c1ccnc(C#N)c1 1472681472 AWLGWUWNABSZPI-UHFFFAOYSA-N 283.350 3.899 30 20 CHED CN(C(=O)c1ccsc1)c1ccc(C#N)c(Cl)c1 1624013179 IACYSRXEACBBJX-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CCC[C@H](NCc1ccc(OC)c(C#N)c1)[C@H]1CC1(C)C 1621498176 OSHWEXULOHSZGB-CVEARBPZSA-N 286.419 3.871 30 20 CHED CC[C@H](C)[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)OC 1621198535 IXNUULKAXIGVSR-KSSFIOAISA-N 286.419 3.584 30 20 CHED N#Cc1cc(=NCC2(c3cccc(Cl)c3)CCC2)cc[nH]1 1559259561 CFLDFYLCYTYWLT-UHFFFAOYSA-N 297.789 3.562 30 20 CHED Cc1cccc2c1N(C(=O)Nc1cc(C#N)ccc1F)CC2 1625454832 GVWKIABKJHSTDF-UHFFFAOYSA-N 295.317 3.600 30 20 CHED C=C(C)C[C@H](Nc1cc(C(C)C)nc(C(C)C)n1)C(=O)O 1573324612 VUGFCCNKEWICQB-ZDUSSCGKSA-N 291.395 3.555 30 20 CHED N#Cc1cccc(NCC2(c3ccccc3F)CCC2)n1 1652007145 JFFRTWYBWTYPRV-UHFFFAOYSA-N 281.334 3.626 30 20 CHED CC(C)(C)[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 1658420523 XTIYXQSWZCRSDQ-QGZVFWFLSA-N 270.420 3.859 30 20 CHED N#Cc1ccc(CCOc2ccc(F)c3cccnc23)cc1 1652935548 XBWLDWOOCCQARJ-UHFFFAOYSA-N 292.313 3.867 30 20 CHED CC(C)C[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 1658383144 QUZFDZIWXXFRLN-OAHLLOKOSA-N 274.383 3.955 30 20 CHED CC(C)Oc1cccc(CN2CCc3c(C#N)cccc32)c1 1653952348 BCVVMBACMQALHO-UHFFFAOYSA-N 292.382 3.908 30 20 CHED CCc1ccc2c(c1)CN([C@H](C#N)c1ccccc1)CC2 1660721157 SIUHMPMPNOTNEW-LJQANCHMSA-N 276.383 3.872 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2cccc(F)c2C(=O)O)C1 1594345150 NPIAHLHMFMPFKN-GHMZBOCLSA-N 278.327 3.748 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1cc(Cl)ccc1F 1680939056 DVWNPIORACOHGD-MRVPVSSYSA-N 291.153 3.592 30 20 CHED C=C(Cl)C[C@H](NCc1ccc([C@H](C)CC)cc1)C(=O)O 1776142798 LWQZKLLHLUOELS-ABAIWWIYSA-N 295.810 3.886 30 20 CHED Cc1c(NN=C2CCC[C@@H](C)[C@@H]2C)cccc1C(=O)O 1776087521 HVURRSONEFGSGN-MNOVXSKESA-N 274.364 3.917 30 20 CHED CC(C)c1cccc(/C=C\c2nc(C(=O)O)ccc2C#N)c1 1776375945 KVNYRHMKFSZBEO-VURMDHGXSA-N 292.338 3.945 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1nc(C)cs1 1776784365 BPNBHPJSNDDJFX-CYBMUJFWSA-N 298.452 3.745 30 20 CHED C=C(C)COC(=O)c1cccnc1Nc1ccccc1OC 11329882 AVBZBHKJGLISRD-UHFFFAOYSA-N 298.342 3.567 30 20 CHED C=CCN(C)C(=O)CSc1cc(Cl)ccc1Cl 161807215 LJSGJUOTXKGESK-UHFFFAOYSA-N 290.215 3.730 30 20 CHED CC(C)CC1(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 158236078 CUSVZTMYFAPAIO-AWEZNQCLSA-N 299.418 3.745 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)C1CCCC1 157469244 UYZWZYWFGBEEGO-UHFFFAOYSA-N 284.403 3.733 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 154889241 FHXDGKHAIIETJF-AWEZNQCLSA-N 298.386 3.939 30 20 CHED Oc1ccccc1/C=N/CCc1nc2ccccc2s1 5402654 HKUIOYWMMMMPKA-GZTJUZNOSA-N 282.368 3.664 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 6250387 DJONUMZAJCQDKF-LLVKDONJSA-N 267.288 3.640 30 20 CHED CC(C)c1ccccc1CNc1cc(C#N)ccn1 804637431 AHPMVLMCDCIMBW-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C=CCN(Cc1ccccc1)Cc1cc(C(=O)O)cs1 1776180779 AYSCNYIQMHYJHY-UHFFFAOYSA-N 287.384 3.635 30 20 CHED C#CCCCCC(=O)Nc1cc(C(F)(F)F)ccc1F 120090571 GXJQSVVZVHLHFN-UHFFFAOYSA-N 287.256 3.977 30 20 CHED CN(C(=O)c1ccc(F)c(Cl)c1)c1ccccc1C#N 147954263 VOPCHYNGXYOMOQ-UHFFFAOYSA-N 288.709 3.627 30 20 CHED N#Cc1ccc(COc2ccc3c(c2)CCC3)c(F)c1 10609128 REHUOYDDGUSFNL-UHFFFAOYSA-N 267.303 3.765 30 20 CHED C=C(C)CN(Cc1ccccc1)CC1CCC(=O)CC1 295854450 BMEWEIBJFFLVFV-UHFFFAOYSA-N 271.404 3.824 30 20 CHED CC(C)N(CCC#N)C(=O)Cc1ccc(Cl)c(Cl)c1 60537756 AMIITZXQXRAWQF-UHFFFAOYSA-N 299.201 3.687 30 20 CHED COc1ccc(CCNc2ccc(C#N)c(Cl)c2)cc1 61845771 IBZGOPSWKKADMA-UHFFFAOYSA-N 286.762 3.875 30 20 CHED C=CCCCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] 312695076 CJWZTOICQYWCFH-UHFFFAOYSA-N 289.257 3.777 30 20 CHED COCC1CCC(Nc2cccc(Cl)c2C#N)CC1 413531340 LRVMZBCDVYUGSC-UHFFFAOYSA-N 278.783 3.829 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]1CF 338810441 ZWEJKBYUYQMBCT-NSHDSACASA-N 272.245 3.515 30 20 CHED C=CCCC(C)(C)NCc1cccc(OC)c1F 657804888 GDGQIGMYIFCLCP-UHFFFAOYSA-N 251.345 3.669 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C1CCC=CCC1 718049622 ZOVKXQPWSGPLGZ-UHFFFAOYSA-N 274.751 3.897 30 20 CHED C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F 389249102 BURAJCOMGYAINX-ZCFIWIBFSA-N 289.194 3.885 30 20 CHED CC1(C)CN(Cc2cc(C#N)ccc2F)[C@H]2CCC[C@@H]21 393542602 FNNCRSNPACNYDH-HOCLYGCPSA-N 272.367 3.708 30 20 CHED c1ccc(CNN=C2CC(c3ccccc3)C2)cc1 814751340 JGWAKFWYEBIURF-UHFFFAOYSA-N 250.345 3.710 30 20 CHED COc1ccc(C(C)=NOCc2ccccc2)cc1 839419632 RDBWTXOJZTYQFJ-UHFFFAOYSA-N 255.317 3.636 30 20 CHED CC[C@H](Nc1nccc(C)c1C#N)c1cccs1 135068871 ZSSUARVFDHIJEA-LBPRGKRZSA-N 257.362 3.886 30 20 CHED Cc1csc([C@@H](NCc2cccc(C#N)c2)C2CC2)n1 174542931 BUHOVJBDGGIMAI-HNNXBMFYSA-N 283.400 3.564 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 110366303 QFQWYZNFPLYPRV-GFCCVEGCSA-N 293.794 3.532 30 20 CHED CCCCCCCCC(=O)N(CC)C[C@@H](C)C#N 108912975 NZGIOTYODHQPBN-AWEZNQCLSA-N 252.402 3.745 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(Cl)c(Cl)c1 54178240 BRUNEKKKPOVROQ-MRVPVSSYSA-N 286.162 3.807 30 20 CHED C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1F 108972029 LLKUAJBAXWCRQJ-JTQLQIEISA-N 286.281 3.579 30 20 CHED CCCCCCCC(=O)Nc1nc2ccccc2[nH]1 105999982 SPXOWLOIOFKOSL-UHFFFAOYSA-N 259.353 3.862 30 20 CHED COc1ccc2cc(CNCc3ccc(C#N)o3)ccc2c1 174252729 SGIIAIPFWLQRDX-UHFFFAOYSA-N 292.338 3.603 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)[C@H](C#N)c1ccccn1 111944546 NYFWMVHNPXRSGR-ZBFHGGJFSA-N 296.395 3.829 30 20 CHED CC(C)c1ccc(N(C)C(=O)Cc2ccc(C#N)cc2)cc1 177953967 OZYUPSUWJHIOFE-UHFFFAOYSA-N 292.382 3.887 30 20 CHED C=CC1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 111693119 DNKCIUBDNIQQMR-ZDUSSCGKSA-N 283.375 3.696 30 20 CHED Cc1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1C 69610834 XEDDUGIWUQNIGO-UHFFFAOYSA-N 296.395 3.978 30 20 CHED C[C@H](NC(=O)NCCCCC#N)c1ccc2c(c1)CCCC2 171727896 PLRWWLCLFSWHSY-AWEZNQCLSA-N 299.418 3.619 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc(F)cc1F 66406811 AUBLWQLHXQWHIL-DAXSKMNVSA-N 290.313 3.882 30 20 CHED CC(C)(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 117581621 BGZPFQKHYSUXGL-UHFFFAOYSA-N 292.382 3.960 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)CC1 114779649 UYCFZLDZOWFCPL-OAHLLOKOSA-N 285.391 3.848 30 20 CHED CN(C)[C@@H]1CCC[C@H](/N=C/c2c(O)ccc3ccccc23)C1 178704127 KPXOZKOOSZBEKA-QPWLCJFDSA-N 296.414 3.837 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N[C@@](C)(C#N)C(C)C 116185463 TZACOFVHWQEIMX-PBHICJAKSA-N 272.392 3.543 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCc2sccc2C1 178540051 DTWRKVLPHPKIAS-UHFFFAOYSA-N 297.383 3.518 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2ccc(CC)o2)o1 176680594 JAECAPNZOQDJPE-VMPITWQZSA-N 288.299 3.508 30 20 CHED CC[C@@H](CC#N)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 184091476 MNBTXBGRPIUOED-LBPRGKRZSA-N 299.330 3.637 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)o1 176680317 DLKOVWZUIPKHGB-UXBLZVDNSA-N 292.338 3.924 30 20 CHED C=C(C)CSCC(=O)N[C@H](C)c1ccc(Cl)cc1 177864460 UTDJSADWGSRQMI-LLVKDONJSA-N 283.824 3.827 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 179941250 GECNYNPGZLVIQF-CHWSQXEVSA-N 279.811 3.990 30 20 CHED Cc1nc(C)c(C#N)c(SC/C=C/c2ccccc2)n1 25960814 GQNIHFPXURYSLV-RMKNXTFCSA-N 281.384 3.771 30 20 CHED Cc1cccn2cc(CNc3ccc(C#N)c(Cl)c3)nc12 301162841 QBGFSNXCJWNJLR-UHFFFAOYSA-N 296.761 3.780 30 20 CHED Cc1cc2occ(CC(=O)N(C)CCC#N)c2cc1C(C)C 69649130 VMCGPCIMNHTANA-UHFFFAOYSA-N 298.386 3.779 30 20 CHED CC1(CC(=O)Nc2cccc(C#N)c2)CCCCC1 509666519 KKEORUOVYFKQNC-UHFFFAOYSA-N 256.349 3.857 30 20 CHED O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cccc(F)c1 28495458 GVWMSBGPEGMYBD-CMDGGOBGSA-N 271.247 3.630 30 20 CHED N#Cc1ccc(N[C@@H]2CCCOc3cc(Cl)ccc32)nc1 301991568 GCXCZASBCJMWOZ-CQSZACIVSA-N 299.761 3.932 30 20 CHED C=CCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 171425552 ZKHXWDLAWITNRN-GFCCVEGCSA-N 281.808 3.959 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 302201240 SAUPMUCQGGFNKJ-WFASDCNBSA-N 287.363 3.871 30 20 CHED N#Cc1cc2c(nc1NCCCOC1CCCC1)CCCC2 301853819 BJYXBKSJPCAREG-UHFFFAOYSA-N 299.418 3.593 30 20 CHED CCCCCCCCC(=O)NC[C@H](O)c1ccc(C)cc1 302981336 VIHJEYFOZZPIRL-KRWDZBQOSA-N 291.435 3.895 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(CCC(F)(F)F)cc1 120877934 XTHXVMWZURMYNV-AWEZNQCLSA-N 298.308 3.604 30 20 CHED CN(c1snc(Cl)c1C#N)[C@H]1CCc2ccccc21 301520161 LBAFEVGOLASTME-LBPRGKRZSA-N 289.791 3.792 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cn(C)nc1-c1ccccc1 179771889 ILGYKWBJPMCUTA-AWEZNQCLSA-N 297.402 3.562 30 20 CHED C=CCOc1ccc(C(=O)N(C2CC2)[C@H](C)C2CC2)cc1 73738250 LXHFGGDSKZKTMN-CYBMUJFWSA-N 285.387 3.655 30 20 CHED Cc1cc(F)cc2c(N3CCC[C@H](C)C3)c(C#N)cnc12 301345689 KFASBOXSAIVCDA-NSHDSACASA-N 283.350 3.790 30 20 CHED Cc1ccc(O[C@H](C)CNc2ccc(C#N)cc2)cc1 301460944 OBEXSLONUZILDA-CQSZACIVSA-N 266.344 3.746 30 20 CHED Cc1ccsc1CNCc1ccc(N(C)CCC#N)cc1 75675460 ZVKZELJLQSCJKX-UHFFFAOYSA-N 299.443 3.696 30 20 CHED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CC#N 185036075 XGQAYZSYTFFQFO-AWEZNQCLSA-N 294.354 3.987 30 20 CHED CC1(C)CCC(C(=O)Nc2cccc(C#N)c2)CC1 490210134 RCKVYEBDHXJCJI-UHFFFAOYSA-N 256.349 3.713 30 20 CHED N#C[C@@H]1CCC[C@H](NCCc2ccc(Cl)cc2)C1 185755195 PIWKEZQAZQQDGD-HIFRSBDPSA-N 262.784 3.554 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H]2SCC)CCC1 188856079 XWYUXIDFPVBKJC-CHWSQXEVSA-N 267.438 3.523 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1NCc1ccc(F)c(C#N)c1 124768653 NDSCMYBHDFLXPN-UHFFFAOYSA-N 299.305 3.835 30 20 CHED CC(C)CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 128668777 BRGGZMQVPBLZPQ-OAHLLOKOSA-N 294.354 3.533 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)n(C)n1 210545888 OEJAALMSILASOU-FLIBITNWSA-N 282.387 3.922 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Cl)c(F)c1 410144737 YEYMGWHNVFTXTM-SNVBAGLBSA-N 255.720 3.564 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1nsc2ccc(C)cc12 508645761 OXBFQAZVVQQOME-GFCCVEGCSA-N 286.400 3.785 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cc2ccccc2)ccc1O 183055442 DEMGDNSSCRIXJB-UHFFFAOYSA-N 295.382 3.631 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](OC(C)(C)C)c1ccccc1 180413474 NATGPAZSDVYRDC-HNNXBMFYSA-N 275.392 3.577 30 20 CHED CSc1ccc(C)c(C(=O)N(CC#N)C2CCCC2)c1 128294261 QKBUKEJWMNUAFL-UHFFFAOYSA-N 288.416 3.625 30 20 CHED C=CCC[C@H](C(=O)NCc1nccs1)c1ccccc1 188354164 AXEIUTVEMVPQDP-AWEZNQCLSA-N 286.400 3.509 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](C(C)C)C1 508956930 VEZTUXULKYNUHE-INIZCTEOSA-N 296.418 3.613 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1[nH]c(C)cc1C 412837125 HBYZZVMRPUCNHV-INIZCTEOSA-N 282.387 3.549 30 20 CHED COc1ccccc1C[C@@H](C)Nc1ccc(CC#N)cc1 37301925 CJGVEPDYAOJHHR-CQSZACIVSA-N 280.371 3.804 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)C[C@H](C#N)CCC#N 78315991 FGPRKZXMZGDKGG-NSHDSACASA-N 296.201 3.869 30 20 CHED C[C@@](O)(CNc1c(Cl)cccc1C#N)c1ccsc1 78301505 QPNDMCTVYBWIBG-CQSZACIVSA-N 292.791 3.593 30 20 CHED COc1ccccc1OCCSCc1ccccc1C#N 79376577 QLVBVRNXAZEHKU-UHFFFAOYSA-N 299.395 3.879 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1coc2cc(C)c(C)cc12 410838211 XHZAGTMENWMIRZ-ZDUSSCGKSA-N 284.359 3.814 30 20 CHED C=C(C)CN(CC)Cc1nc2ccc(OC)cc2s1 186562459 PTSCHWUKZBSIFH-UHFFFAOYSA-N 276.405 3.703 30 20 CHED C[C@@H]1OCC[C@@H]1SCCC1(C#N)CCCCC1 413000173 NCJKSPZDHCFECB-STQMWFEESA-N 253.411 3.761 30 20 CHED C=C(C)CCc1noc(-c2cc(F)c(F)c(F)c2)n1 508625377 LJLMCOGSZZWVQB-UHFFFAOYSA-N 268.238 3.663 30 20 CHED O=C(/C=C/c1ccccc1Cl)c1cncc(F)c1 78023114 INCWKRFAGCHYEK-AATRIKPKSA-N 261.683 3.770 30 20 CHED C=CCOc1ccc(CN2C[C@H](C)OC[C@@H]2C)cc1Cl 508024105 DSTAOTMKBFZEGW-STQMWFEESA-N 295.810 3.514 30 20 CHED CC(C)CCC1CCN(C(=O)CC(C)(C)C#N)CC1 500860395 NWOQHJWAOYHOLT-UHFFFAOYSA-N 264.413 3.601 30 20 CHED CCN(CCC#N)C(=O)[C@H](C)c1cccc(CC(C)C)c1 507439169 BZRNOXJOLARIFY-OAHLLOKOSA-N 286.419 3.751 30 20 CHED CC1(C)CCC(/N=C(/O)[C@H]2CCCOCC2)(C(=N)O)CC1 329913395 XIBCVZVHGQLTOC-LBPRGKRZSA-N 296.411 3.634 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H]1C(C)(C)C 501207118 SVSDAKNCRRJGDG-INIZCTEOSA-N 272.392 3.577 30 20 CHED C[C@@H](Nc1snc(Cl)c1C#N)c1ccccc1 48543802 SJWMDAHVGDIALZ-MRVPVSSYSA-N 263.753 3.841 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)c2ccccc2)n1 80457610 LDZJEVCRPMUFMQ-LBPRGKRZSA-N 270.357 3.757 30 20 CHED CCCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(C)c1 193348631 WHMSFXIXYCXPJE-RDJZCZTQSA-N 286.419 3.956 30 20 CHED C=C[C@H](CC(=O)N1CCCC(C)(C)C1)c1ccccc1 134551431 DMJZFGWCCIMRNL-OAHLLOKOSA-N 271.404 3.995 30 20 CHED C[C@H](/N=C(/O)c1ocnc1C1CC1)C1CCCCC1 329653826 LPFIZSCWHOCTPD-JTQLQIEISA-N 262.353 3.825 30 20 CHED CC1=C(C(=O)NCc2ccc(C#N)s2)CCC(C)(C)C1 421907492 BPJSCEBUOTZTAU-UHFFFAOYSA-N 288.416 3.763 30 20 CHED Cc1cccc(CC[C@H](C)NCc2ccc(C#N)cc2)c1 40500810 HIPAPLWBKBFDPF-INIZCTEOSA-N 278.399 3.978 30 20 CHED C=CCN(C(=O)c1cccc(C)c1Br)C(C)C 229874252 BGPLWYVOPQUMRW-UHFFFAOYSA-N 296.208 3.794 30 20 CHED C[C@H](NCCCCC#N)c1cccc(Br)c1 49578456 NLZCBNHROFGSFQ-NSHDSACASA-N 281.197 3.794 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H](C)c1ccsc1 131432799 BASHXXGQGDUAFI-GFCCVEGCSA-N 285.368 3.775 30 20 CHED CC(C)=CCCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425522214 VEIGEYZAOWKUTK-CQSZACIVSA-N 285.391 3.617 30 20 CHED Cc1nnccc1N=C(O)[C@]1(C)CCc2ccccc2C1 329433089 LBBUNJWQTMHFRI-QGZVFWFLSA-N 281.359 3.568 30 20 CHED CC(C)(CCC#N)COC(=O)Cc1c[nH]c2ccccc12 195062239 CEIMJBGVCMXJGJ-UHFFFAOYSA-N 284.359 3.584 30 20 CHED C[C@@H]1CSCCN(Cc2ccccc2C(C)(C)C#N)C1 190393388 GEZDLQWZIFIMRU-AWEZNQCLSA-N 288.460 3.673 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2cc(F)cc(F)c2)c1 88305113 JDHIRHWRTUYMEO-SNAWJCMRSA-N 269.250 3.733 30 20 CHED C=CCOc1ccc(CN[C@@H]2CSC[C@@H]2C)cc1Cl 512849481 FNOAWZUZIFIGHV-SMDDNHRTSA-N 297.851 3.746 30 20 CHED OC(=Nc1nc2cccnc2[nH]1)[C@H]1C[C@H]1C1CCCCC1 330294495 FGPOLDACWZBXTJ-RYUDHWBXSA-N 284.363 3.762 30 20 CHED N#Cc1cccnc1N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 89268701 KEUDVSPDTHJRCA-GJZGRUSLSA-N 299.761 3.549 30 20 CHED C=CC[C@@H](C(=O)N1CCC(C)(C)CC1)c1ccccc1 427121037 WLSSGRZOQOAODU-MRXNPFEDSA-N 271.404 3.995 30 20 CHED Cc1cc(CN2C3CCCC2CCC3)ccc1C#N 618594386 NFTALVHGYWEEII-UHFFFAOYSA-N 254.377 3.774 30 20 CHED CC(C)(C#N)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 334808889 WDXVPCOFUZMPAE-GXTWGEPZSA-N 290.794 3.642 30 20 CHED C=C(C)CCc1noc(-c2cc([N+](=O)[O-])c(C)cc2C)n1 421259167 BKXJQMRVWASOBT-UHFFFAOYSA-N 287.319 3.770 30 20 CHED CC1(C)CCC[C@@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1 535782758 WQLKBXZTZXFIPH-CABCVRRESA-N 276.424 3.791 30 20 CHED N#Cc1csc(CNc2ccc(N3CCCCC3)nc2)c1 93686133 KVBLUPSHUBMDLE-UHFFFAOYSA-N 298.415 3.617 30 20 CHED O=C(/C=C\c1csnn1)c1nc(-c2ccccc2)cs1 96190184 RVZZKPQMVLKFJQ-SREVYHEPSA-N 299.380 3.558 30 20 CHED C[C@@H]1CCC[C@H](CCN2CCC(F)(C#N)CC2)C1 510952448 ZLMUIMKYUDLTIZ-ZIAGYGMSSA-N 252.377 3.530 30 20 CHED C=C[C@@](C)(CC)C(=O)N=c1cc(C)n(C2CCCCC2)[nH]1 519734628 KWOLQBGNXRODIJ-KRWDZBQOSA-N 289.423 3.659 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2cccc(C3CCC3)c2)C1 333435804 VJDBMISDRXXZKL-BLLLJJGKSA-N 283.375 3.768 30 20 CHED C=CCN(CCSc1ccc(F)cc1)C1CC1 536743806 SFGTUGQUJAJLKR-UHFFFAOYSA-N 251.370 3.568 30 20 CHED N#Cc1ccncc1NCCc1ccc(C(F)(F)F)cc1 94131631 BESVHVNXVXHNSY-UHFFFAOYSA-N 291.276 3.627 30 20 CHED CC[C@@H](O)CN(Cc1ccccc1)CC(C)(C)CCC#N 93688275 CDDVDZLAAXGJSK-QGZVFWFLSA-N 288.435 3.589 30 20 CHED C=CCCS(=O)(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 435718337 CSXCOGJDWPGUEZ-CQSZACIVSA-N 293.432 3.542 30 20 CHED C=C[C@H](C)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 92959230 JOLHSNYWEHPSHR-NEPJUHHUSA-N 265.784 3.599 30 20 CHED C[C@H]1c2cc(F)cc(F)c2CCN1CCCCC#N 344229411 HCOFFDNHCBWMIL-NSHDSACASA-N 264.319 3.578 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 243730040 PSYSDEZQHNBFST-ATVPRXPUSA-N 283.375 3.504 30 20 CHED CC(C)(C#N)CCN[C@H](c1ccccc1)c1ccccn1 342607154 OIXGEIGFKSWGBS-QGZVFWFLSA-N 279.387 3.700 30 20 CHED C=CCCOCCN[C@@H](C)c1cccc(C2CC2)c1 340312232 IYZOISKEULJUSS-AWEZNQCLSA-N 259.393 3.807 30 20 CHED CC(C)CN1CCC[C@H](CN[C@H](C)c2ccc(C#N)cc2)C1 245931415 SLYBXCWGTJQQCV-SJLPKXTDSA-N 299.462 3.577 30 20 CHED N#Cc1cccc(NC(=O)c2csc(-c3ccoc3)n2)c1 341746665 LDADYNWPQSQBNT-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1nc(CN(CC(C)C)c2ccc(C#N)cc2)oc1C 346642172 MMWPSLIYLMLVPE-UHFFFAOYSA-N 283.375 3.826 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)c1ccccc1F 346274463 QZWBTYBJQWFTMY-UHFFFAOYSA-N 296.345 3.683 30 20 CHED C[C@H](CCC#N)CNC[C@H]1CCCc2ccccc21 602512875 VWASCCZVWUEFNN-GDBMZVCRSA-N 256.393 3.636 30 20 CHED C=CCCCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 246695174 DXFMTAYZGCDJMG-RKVPGOIHSA-N 287.403 3.720 30 20 CHED C[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 340720182 IBTXCJFIEPEQTO-MNOVXSKESA-N 286.400 3.649 30 20 CHED COc1ccc(C#N)cc1N[C@H](C)Cc1ccccc1F 437806540 XNOJNCUVWSDSAJ-GFCCVEGCSA-N 284.334 3.749 30 20 CHED Cc1cc(F)cc(C(=O)N[C@H](CCC#N)c2ccccc2)c1 439656642 TYNWHKDIWUAZGK-QGZVFWFLSA-N 296.345 3.909 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)c(OCC)c1 342473617 NQZJXUIICGYVCW-QGZVFWFLSA-N 291.391 3.561 30 20 CHED C=CCn1c(C)nnc1SCCCC(C)(C)C 347624552 ADGOLRYDNSAAHU-UHFFFAOYSA-N 253.415 3.691 30 20 CHED C=C(C)CN(C)c1nc(C)nc2sc3c(c12)CCC3 349895611 RUZLPAMTGLZMTD-UHFFFAOYSA-N 273.405 3.501 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1C[C@H]2CC[C@H]1C2 341686807 GNJNHIMKCWCMCS-PWUKJLEFSA-N 266.388 3.714 30 20 CHED C[C@H](CCC#N)CN(C)[C@H](C)c1cc(F)ccc1F 602437492 AHHLNHHFBCNTJI-VXGBXAGGSA-N 266.335 3.897 30 20 CHED CCc1ccc(CCC(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 434022350 OWGCWGQQZJZYAB-KRWDZBQOSA-N 298.430 3.722 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)c1cccc(C#N)n1 340769743 BQGBSAVIQROGBY-INIZCTEOSA-N 281.359 3.549 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccn(-c2ccccc2)n1 255384060 BIWJAHABQMAZSC-FPLPWBNLSA-N 278.311 3.670 30 20 CHED N#Cc1ccc(CSCC2(C#N)CC2)c(OC(F)F)c1 344476247 YWLYMMMOOWSBIQ-UHFFFAOYSA-N 294.326 3.697 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)c2cc(C#N)[nH]c2C)cc1 448786364 ZSICYYPXLXOMJZ-LLVKDONJSA-N 297.358 3.624 30 20 CHED CCCCc1ccc(C(=O)N(CC#N)C2CCCC2)cc1 609978132 GLMREDRAMAJLBU-UHFFFAOYSA-N 284.403 3.938 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(F)c(C#N)c1Cl 349108547 LNRQMLQAFZGHHO-UPHRSURJSA-N 283.693 3.788 30 20 CHED CC(C)N(Cc1ccc(F)cc1)Cc1cccc(C#N)n1 602439144 GWPCNAVIPWGWEY-UHFFFAOYSA-N 283.350 3.503 30 20 CHED CCN(Cc1cccc(Br)c1F)C[C@@H](C)C#N 449018846 UQUFEKUDVTWHAT-JTQLQIEISA-N 299.187 3.570 30 20 CHED Cc1cc2occ(CC(=O)NC[C@H](C)C#N)c2cc1C(C)C 609492084 XZYPIZUDXMEYDJ-GFCCVEGCSA-N 298.386 3.683 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCOc2c(F)cccc21 443194922 PXSUBHKHHIZGLW-WFASDCNBSA-N 263.356 3.984 30 20 CHED C=CCN(CCc1ccccc1)c1cc(C)nc(C2CC2)n1 604756832 HMNHVXLMKVLEPQ-UHFFFAOYSA-N 293.414 3.898 30 20 CHED CC(C)Oc1cc(F)ccc1NC[C@@H](C)CCC#N 602590200 IVIFHOMRVSLMBQ-LBPRGKRZSA-N 264.344 3.965 30 20 CHED C=CC[C@@H]1N(CCOCC(F)(F)F)CCCC1(C)C 444787821 SKLUIBHIHXWZND-LBPRGKRZSA-N 279.346 3.632 30 20 CHED C=CCCC[C@@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] 537190788 YTNWOANUOUSYTG-LLVKDONJSA-N 276.336 3.954 30 20 CHED C=CCN(CCc1ccco1)Cc1nc(C)sc1C 352721222 QRCPKNQVIBVFPI-UHFFFAOYSA-N 276.405 3.584 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC[C@H]1CCCOC1 532709436 XXRREXWXGOOAPF-UONOGXRCSA-N 290.432 3.919 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 448909012 HYRBQQZNOLIZEZ-OWCLPIDISA-N 276.424 3.601 30 20 CHED Cc1nn(C)c2cc(NCc3ccc(CC#N)cc3)ccc12 359834266 PKNDIQPJHPONDJ-UHFFFAOYSA-N 290.370 3.560 30 20 CHED C=CCCCC[C@@H](C)NCCc1csc(CC)n1 449114371 ZHADBDJUBCJVQS-CYBMUJFWSA-N 266.454 3.973 30 20 CHED CC[C@@H](C)n1ncc(NCc2ccc(OC)c(C#N)c2)c1C 359821442 WWCWMIVRZVYXDZ-GFCCVEGCSA-N 298.390 3.655 30 20 CHED CCCn1ccc2cc(NC(=O)[C@@]3(C#N)C[C@@H]3C)ccc21 448840339 KBMDKDZFWOFFNZ-YVEFUNNKSA-N 281.359 3.540 30 20 CHED CN(C)[C@H](CNC1CCC(C)(C#N)CC1)C1CCCCC1 449082020 JSRBXEQJWHURHT-LXPRWKDFSA-N 291.483 3.559 30 20 CHED C=CCCCC[C@H](C)N[C@H]1Cc2cccc(O)c2C1 449281595 DGTRXXZHAVBECI-ZFWWWQNUSA-N 259.393 3.584 30 20 CHED CC(C)(C#N)Cc1nc(-c2cccc(C(F)F)c2)no1 350265078 CMKPOBHYJPATCA-UHFFFAOYSA-N 277.274 3.766 30 20 CHED N#C[C@@H]1CCC[C@H](NCC[C@H]2CCc3ccccc32)C1 449379576 TXYUFBRBQUMOSE-OIISXLGYSA-N 268.404 3.778 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(C(C)(C)C(N)=O)cc1 449053795 CIZUBYFZUDGLDD-AWEZNQCLSA-N 288.435 3.996 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CC23CCC3)cc1 610739207 ZRGYIJVZNWOJJI-JKSUJKDBSA-N 296.414 3.855 30 20 CHED C=CC[C@H](C(=O)N1CCC(F)(F)C[C@@H]1C)c1ccccc1 530008547 IOOCVCAIISWAIY-ZFWWWQNUSA-N 293.357 3.993 30 20 CHED N#Cc1ccc(Sc2ncnc3ccc(F)cc23)c(F)c1 611297598 ZGQPYNUPLCOQCO-UHFFFAOYSA-N 299.305 3.931 30 20 CHED CC[C@@H](c1ccc(F)cc1)S(=O)(=O)CCC(C)(C)C#N 616188429 NDCGYKGRFGBXLJ-AWEZNQCLSA-N 297.395 3.631 30 20 CHED CCC(C)(C)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 356174989 XQVORTBAUOIEKB-OAHLLOKOSA-N 272.392 3.721 30 20 CHED C=CCCCC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 355935898 VCUGUJUEUICWIM-UHFFFAOYSA-N 289.766 3.821 30 20 CHED C[C@@H]1C[C@@H](CC(=O)Nc2cc(CC#N)ccn2)CC(C)(C)C1 531670192 RZNYBMILVQJNQJ-HIFRSBDPSA-N 299.418 3.939 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1ccc(Oc2ccccc2)o1 449549575 ZFBWOXZUCGPHMP-SJORKVTESA-N 299.370 3.895 30 20 CHED C=CCN[C@H](C)c1ccc(-c2csc(C)n2)cc1 358826356 PHGMAYCCFVTLMS-LLVKDONJSA-N 258.390 3.955 30 20 CHED C[C@@H](Nc1cccc(OCCCC#N)c1)[C@@H]1CCCOC1 356851003 QPQJUDSDKBCQAR-HUUCEWRRSA-N 288.391 3.596 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cccc(C)c1C 353119430 XBASMADSFDFPCS-UHFFFAOYSA-N 283.371 3.767 30 20 CHED Cc1cc(CN2CCC[C@H]2c2ccc(O)cc2)ccc1C#N 618593481 NVLYZZHEDQNFGR-IBGZPJMESA-N 292.382 3.909 30 20 CHED C=CCCCC(=O)Nc1cc2sc(C)nc2cc1OC 359190975 NLKXJDHJXUBAMC-UHFFFAOYSA-N 290.388 3.908 30 20 CHED CCCN(CC1(C#N)CC1)[C@H]1CCc2ccccc2C1 538313425 KZISSGXUHVKTQD-KRWDZBQOSA-N 268.404 3.560 30 20 CHED C[C@@H](NC(=O)C(C)(C)C1CCC1)c1ccc(C#N)cc1 448662570 CDNLNNRXMKDDFH-GFCCVEGCSA-N 270.376 3.562 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 611286108 UMPSUFLHWMGNCR-VHSXEESVSA-N 299.201 3.905 30 20 CHED COc1c(Cl)cc(Cl)cc1CNCC(C)(C)C#N 612584981 LVZYNOGXFBHYJO-UHFFFAOYSA-N 287.190 3.641 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](CC)c1ccc(OC)cc1 459884923 OCMAOHZMSSXDIP-HNNXBMFYSA-N 275.392 3.865 30 20 CHED C=CCCc1noc(CCSc2ccccc2)n1 453249963 WRFRTTHRUZESCM-UHFFFAOYSA-N 260.362 3.523 30 20 CHED C=CCCN(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 265770445 IRVRBLKESTVQKU-AEFFLSMTSA-N 272.436 3.547 30 20 CHED C=CCC1(NC(=O)[C@H](CC)CC2CCCC2)CCOCC1 618247641 DXYZELKHXGWNJZ-MRXNPFEDSA-N 293.451 3.834 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)C[C@H](C)c1ccc(F)cc1 536080049 KUXXZQIFEILIHQ-GUYCJALGSA-N 290.382 3.764 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@H]1CCCCC)OCC 535189694 GRAPHLKXIUOWOO-HZPDHXFCSA-N 281.440 3.929 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cccc(C2CCC2)c1 619598482 DBQQJDSJRWJTTN-MRXNPFEDSA-N 270.376 3.622 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 455319586 ZXXNCAGSKLYVJB-CJNGLKHVSA-N 290.382 3.884 30 20 CHED C=CCOc1ccc(CC(=O)N[C@@H]2CC23CCCCC3)cc1 450371692 JNDGUYRXHLQKPH-QGZVFWFLSA-N 299.414 3.633 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2cccc(OCC#N)c2)CS1 276840003 BYZSPDMFBVYRBM-ZFWWWQNUSA-N 276.405 3.531 30 20 CHED COc1ccccc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618803518 XMAQNROLPYNKMF-SCLBCKFNSA-N 292.382 3.905 30 20 CHED C=C(C)[C@@H](NC(=O)C1CC2(CC2)C1)c1ccc(F)c(F)c1 613611040 UZDIXEOWDGDRGO-OAHLLOKOSA-N 291.341 3.888 30 20 CHED C=CCSCCN[C@H](C)C(C)(C)c1ccccc1 540968967 BFEMSKWDDJOHKX-CQSZACIVSA-N 263.450 3.862 30 20 CHED Cc1ccc([C@H]2[C@@H](C)CCCN2c2nccc(C#N)n2)cc1 450369609 QPTRUGBZVMWWRC-WMLDXEAASA-N 292.386 3.634 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(-n2ccc(C)n2)cc1 455432129 DTKYTADJXFCZSV-UHFFFAOYSA-N 298.390 3.514 30 20 CHED C=C(C)CCN[C@H](COC)c1cccc(Cl)c1F 453316300 KAOSACGJLZNLRW-CYBMUJFWSA-N 271.763 3.722 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1cc2ccccc2o1 454513160 IFAXDNPVRAYDLQ-GFCCVEGCSA-N 272.348 3.759 30 20 CHED C=C(C)CCNC(=O)c1nc(C)sc1-c1ccccc1 452715857 FKYHHAIJPWONFG-UHFFFAOYSA-N 286.400 3.815 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)cn2)CC1 548052210 DIQJZAOBZLCDLG-LSDHHAIUSA-N 299.418 3.678 30 20 CHED Cc1ccccc1[C@H](NCC#N)[C@H]1CCC[C@@H](C)C1 540360564 ZLAKNTIPCHBRTL-UKPHBRMFSA-N 256.393 3.976 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)CCCCC1 456372495 UPAKXHMUGUEFGY-KKUMJFAQSA-N 261.409 3.818 30 20 CHED CCC(C)(C)NC(=O)Nc1ccc(CC#N)cc1Cl 455702887 LOPOEXDXCSONLF-UHFFFAOYSA-N 279.771 3.716 30 20 CHED C[C@H]1CN(Cc2ccc(CC#N)cc2)[C@H]1c1ccccc1 542279797 MPXSUBUTWSXCIL-HNAYVOBHSA-N 276.383 3.946 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCC[C@H](c2cccnc2)C1 459730403 LZWZAXJKBPZVLN-GOEBONIOSA-N 271.408 3.637 30 20 CHED N#CCC[C@H](N[C@@H]1CCC12CCOCC2)c1ccccc1 377121704 XKPUHPSURSFXNA-DLBZAZTESA-N 284.403 3.580 30 20 CHED C[C@H](CCC#N)N(C)Cc1cc(Br)ccc1F 276364677 ZQEJZNUANDDTFA-SNVBAGLBSA-N 299.187 3.712 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 469582175 FRGTXXVUFHDXLY-KGLIPLIRSA-N 259.393 3.679 30 20 CHED Cc1ccnc(N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1C#N 541279795 UVPZXMFSIBCSDP-ZFWWWQNUSA-N 295.361 3.783 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccncc2C)CCCC1(C)C 278027277 BANRJZJHFVPQAR-OAHLLOKOSA-N 287.407 3.989 30 20 CHED Cc1cc(C)c(CC(=O)Nc2cccc(C#N)c2C)c(C)c1 540306236 DXEAGUQRCDXNRC-UHFFFAOYSA-N 292.382 3.973 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(CC#N)cc1 544062929 WGZLWNYRPVAQLS-UHFFFAOYSA-N 290.410 3.983 30 20 CHED CC1(c2ccccc2)CC(NCc2ccc(C#N)s2)C1 546699179 WIDYOJHRJDLZBP-UHFFFAOYSA-N 282.412 3.830 30 20 CHED Cc1ccnc(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1C#N 541279793 UVPZXMFSIBCSDP-HIFRSBDPSA-N 295.361 3.783 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(F)c1 464638578 QMLKZOSZJHUKDO-JKSUJKDBSA-N 294.329 3.748 30 20 CHED CC(C)c1ccc(C(=O)NCc2cc(C#N)ccc2F)cc1 464049504 BHSVDSJXYUOKAM-UHFFFAOYSA-N 296.345 3.751 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1ccc(SC)cc1 468020777 PQUWRDHRPUDQNK-OAHLLOKOSA-N 263.406 3.974 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 467006398 UQZSQCPPNHQGHD-INIZCTEOSA-N 290.382 3.884 30 20 CHED N#CCC1(CN[C@H]2CCCOc3c(Cl)cccc32)CC1 370668281 UZBIQIASMVEFPH-AWEZNQCLSA-N 290.794 3.837 30 20 CHED C=CCC[C@@H](Nc1ccc2c(c1)CN(C(C)=O)C2)C1CC1 376168524 XALOONNDTFUDBQ-GOSISDBHSA-N 284.403 3.705 30 20 CHED CCCCOc1ccc([C@@H](C)NCCCC#N)cc1 284068442 ARZKLHJNJAZOMU-CQSZACIVSA-N 260.381 3.820 30 20 CHED C[C@@H]1CCN(c2ccc(C#N)nc2)CC12CCCCC2 462698296 PZSDKDCCLLAFSL-CQSZACIVSA-N 269.392 3.750 30 20 CHED C=C(C)Cn1c(N2C[C@H](C)CC[C@@H]2C)nnc1C(C)(C)C 460579124 UILYGCZBKGQLIU-KGLIPLIRSA-N 290.455 3.777 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc(C(C)(C)C)c(Cl)c1 464410702 YRHRQAFFZLHLNX-CQSZACIVSA-N 292.810 3.915 30 20 CHED C=CCN(C(=O)c1ccccc1CSCC)C1CC1 280506015 PXXSTFAMHSZXKN-UHFFFAOYSA-N 275.417 3.730 30 20 CHED Cc1c(C#N)c(N2CCC(C)(C#N)CC2)nc2ccccc12 294937258 JJKACHUEWIZIDW-UHFFFAOYSA-N 290.370 3.545 30 20 CHED CC(CCC1CCCCC1)=NN[C@@H]1CCSC1 808003200 KZKVSIJUZAJMMJ-CQSZACIVSA-N 254.443 3.818 30 20 CHED Cc1cc(Br)c(F)cc1NC(=O)CCCC#N 291937973 PBQASBTWYMJHMC-UHFFFAOYSA-N 299.143 3.529 30 20 CHED C[C@H](CNc1ccc(F)cc1OCC#N)C(C)(C)C 802646351 JGDPQBOCUMXBJD-LLVKDONJSA-N 264.344 3.822 30 20 CHED CSc1ccccc1CN(C)[C@H]1CC[C@@H](C#N)C1 294076869 KZZJCHTXVMUTKJ-OCCSQVGLSA-N 260.406 3.533 30 20 CHED C#C[C@H](CC)N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 809686207 AHWXKZPNAZKJOT-WISYIIOYSA-N 267.825 3.895 30 20 CHED C=C[C@@](C)(O)CC(=O)N(CC)Cc1ccc2ccccc2c1 290115224 KEMPNADRUNOAMN-LJQANCHMSA-N 297.398 3.515 30 20 CHED COC(=O)c1c(F)cccc1NN=C[C@H]1CCC[C@@H](C)C1 800816506 FKFWMHHAHKDPCC-NEPJUHHUSA-N 292.354 3.836 30 20 CHED CCCCCCC[C@H](C)NC[C@H]1CCOC[C@@H]1C 809707011 PEWJOFGATVXFNJ-HRCADAONSA-N 255.446 3.998 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ncsc1C(C)C 564522353 YLGRTPDEKWBPQE-NSHDSACASA-N 266.410 3.741 30 20 CHED O=C(CC1CC1)Nc1cccc(C#Cc2cccs2)c1 642136116 BTCPNNJWNBRKBI-UHFFFAOYSA-N 281.380 3.887 30 20 CHED C=CCN(C(=O)c1ccnc(OC(C)C)c1)c1ccccc1 470943502 FZHWGCYVBXVXRN-UHFFFAOYSA-N 296.370 3.702 30 20 CHED C[C@H](C#N)OCCSCc1ccc(C(F)(F)F)cc1 801659694 OVLRBPDDQAXFKF-SNVBAGLBSA-N 289.322 3.867 30 20 CHED Cc1csc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c1 647380091 INVNSKMODVJNCL-SNVBAGLBSA-N 288.397 3.881 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C1(C(F)(F)F)CCC1 298768682 VSABJHCUSHSKLM-UHFFFAOYSA-N 297.276 3.759 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](c2ccccc2F)C1 472859812 GQELQVKPRYYGPF-AWEZNQCLSA-N 290.382 3.681 30 20 CHED C=CCOCCCOc1cc(F)cc(Br)c1 478802862 ZCTYVNUSTQOHKP-UHFFFAOYSA-N 289.144 3.560 30 20 CHED N#CC1CCN(CCc2c(Cl)cccc2Cl)CC1 297190095 QOQYPZGQTCBYMS-UHFFFAOYSA-N 283.202 3.771 30 20 CHED C=CCCN(C)Cc1c(C)nc2scc(C3CC3)n12 298134303 QHZKAUZGCHSFGP-UHFFFAOYSA-N 275.421 3.590 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(Cl)cc2F)no1 293192689 BJIHJCRCLHAUMY-ZDUSSCGKSA-N 279.702 3.720 30 20 CHED C[C@H](C#N)OCCN(Cc1ccc2ccccc2c1)C1CC1 801915719 MRESVJJNTQUZRY-OAHLLOKOSA-N 294.398 3.733 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@](C)(c2ccccc2)CC1 805348094 MWJPOQTXOJURAD-MJGOQNOKSA-N 298.430 3.552 30 20 CHED C=CCC[C@H](Nc1ccc2c(c1)nnn2C)c1ccco1 647331638 GDCWPDQLEFSFGI-ZDUSSCGKSA-N 282.347 3.681 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H](c2ccccc2)C2CC2)C1 293991955 CAFTXVKVUFXQEZ-JLSDUUJJSA-N 268.404 3.852 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2ccccc2Cl)no1 564216660 YYXANFHMPLHIHW-UHFFFAOYSA-N 285.690 3.830 30 20 CHED C=CCCCCC[C@@H](C)NCc1ncccc1N(C)C 810247479 NCILOBRKTVYJTO-OAHLLOKOSA-N 275.440 3.762 30 20 CHED CC#CCN(C)C(=O)/C=C/c1cccc(OC2CCCC2)c1 819245829 RLMVVIGVGVFQQH-OUKQBFOZSA-N 297.398 3.503 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1ccc(F)cc1Cl 815658584 GMJSPVGTLFNDFO-MRVPVSSYSA-N 291.700 3.868 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)CCCC1 567954703 KKJRPHUGPUCYNA-LSDHHAIUSA-N 291.435 3.539 30 20 CHED C=C(C)CN(CC)c1cnc(-c2ccccc2)cn1 487927935 VBMGNQXWZFRDPR-UHFFFAOYSA-N 253.349 3.546 30 20 CHED O=C(/C=C\c1ccsc1)c1ccc(Br)nc1 811696434 MVLXLHSMSHDCME-IWQZZHSRSA-N 294.173 3.802 30 20 CHED CSc1ccc(C=NN[C@@H]2CCCC2(C)C)s1 814916741 DOHNPOILQDUEIF-LLVKDONJSA-N 268.451 3.972 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H](C)c1ccccc1 488368257 QIQIPDWQPAHPIK-CQSZACIVSA-N 268.360 3.507 30 20 CHED CC(=NNc1cc(Cl)nc(Cl)c1)[C@@H]1CCCOC1 819829024 YSASHDJHWGCOCT-SECBINFHSA-N 288.178 3.603 30 20 CHED C=CCNC(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 483823764 ZTRMWDOIESUCBH-HNNXBMFYSA-N 286.375 3.924 30 20 CHED C[C@@H](CCC1CCCCC1)NCc1cc(C#N)n(C)c1 480352084 CWCPSKBWVIEHDY-AWEZNQCLSA-N 273.424 3.735 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(CC)c1CC 486085815 GCALQXRDPNJNAH-NVXWUHKLSA-N 287.403 3.731 30 20 CHED CC(C)OCCON=C1CCCc2ccc(Cl)cc21 812237589 HXMGDIAYNDBAGY-UHFFFAOYSA-N 281.783 3.822 30 20 CHED CC(C)OCCON=Cc1c(Cl)ccc2cccnc12 812240365 NHYDGKRZHCQHPA-UHFFFAOYSA-N 292.766 3.664 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 488567978 AOHXLWCZDHJLRH-GOSISDBHSA-N 294.398 3.960 30 20 CHED CC(C)COc1ccccc1CN1CCC(CC#N)CC1 572872478 ZCOYVLJTRTYKFD-UHFFFAOYSA-N 286.419 3.847 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 815765855 GECOZPPZGROUJW-HZMBPMFUSA-N 297.320 3.777 30 20 CHED C=CCCC(=O)Oc1ccc(Br)cc1Cl 726496253 QRSCDGZWDUILQD-UHFFFAOYSA-N 289.556 3.974 30 20 CHED Cc1ccccc1-c1nnc(SCC2(C#N)CCC2)o1 579554788 XJTDBTGFNLPZEE-UHFFFAOYSA-N 285.372 3.831 30 20 CHED C=CCCCCS(=O)(=O)[C@H](C)c1cccc(C)c1 570421480 BEPOVZZWYMWJSB-CQSZACIVSA-N 266.406 3.827 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2ccccc2Cl)cn1 728938450 ZYNASGFALRSOIX-NSHDSACASA-N 285.730 3.634 30 20 CHED CCOC(=O)CCCCCCNc1cccc(F)c1C#N 725788347 UEZKONDETNYHKN-UHFFFAOYSA-N 292.354 3.623 30 20 CHED CC#CC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 801136421 GYOQYFNKAXJDPA-ZDUSSCGKSA-N 297.329 3.819 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccccc2OCC)no1 581936495 SZNVRIAOBIREDR-INIZCTEOSA-N 272.348 3.989 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCc2ccc(F)cc2)c1 728480914 VKTBJDDRSXIRIM-UHFFFAOYSA-N 295.357 3.793 30 20 CHED N#Cc1ccc(CN(C/C=C\c2ccncc2)C2CC2)cc1 495079207 NBMHDAUKJIMLMD-UPHRSURJSA-N 289.382 3.631 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3occc32)C1 660316267 XPSCEIXYGRBYGC-UKRRQHHQSA-N 288.391 3.655 30 20 CHED C=C(C)C(C)(C)c1nc(C(C)(C)c2ccc(C)cn2)no1 665085479 PTQPFUDHIGRZRY-UHFFFAOYSA-N 285.391 3.953 30 20 CHED C=CCC1(C(=O)Nc2ccc3oc(=O)ccc3c2)CCCC1 825373929 YCXHWQZMRCUHTR-UHFFFAOYSA-N 297.354 3.868 30 20 CHED N#CCC[C@@H](C#N)CN[C@H]1C[C@H](c2ccc(Cl)cc2)C1 580685596 FVSIDMWTRJRYBY-NOLJZWGESA-N 287.794 3.619 30 20 CHED C=C(C)CCN[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 386681517 IIJGPKBQRHPLEU-LSDHHAIUSA-N 296.455 3.626 30 20 CHED CCc1onc(C)c1C=NNc1cc(C)ccc1C 901149582 MOPWNPCLQAEVTG-UHFFFAOYSA-N 257.337 3.608 30 20 CHED C=CC[C@@H](NC(=O)N(C)c1ccc(F)cc1)c1ccncc1 734680736 UOWIEPJUPOGFFZ-MRXNPFEDSA-N 299.349 3.684 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(C)(C)C 836818045 AOYKEFHUFJIQHE-GFCCVEGCSA-N 293.798 3.551 30 20 CHED C=CCCCCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] 836782627 BEKIIDKRUASVEU-UHFFFAOYSA-N 296.754 3.643 30 20 CHED c1ccc(C[C@H]2CCCC2=NNC2CCCC2)cc1 735614384 WFJSYDZLZFCZLU-OAHLLOKOSA-N 256.393 3.917 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1scc(C)c1C#N 582368168 ZHLVYIBJGCHKBH-JOYOIKCWSA-N 277.393 3.581 30 20 CHED C=C[C@H](CCC(=O)O)NC/C=C\c1cc(C)c(C)cc1C 904014048 NAKWRDIWLXLXBW-JTGQJZMRSA-N 287.403 3.634 30 20 CHED C=CC(C)(C)C(=O)OCc1cccc(C(F)F)c1 835377231 REGWOTDMUCZPAL-UHFFFAOYSA-N 254.276 3.880 30 20 CHED COc1ccccc1CC(C)(C)C(=O)OCCCCC#N 733026513 NFOUVPDDFYYNFQ-UHFFFAOYSA-N 289.375 3.501 30 20 CHED C=C(C)COC(=O)c1cc(C)c(OC(F)F)c(C)c1 730856795 KTCQNDUITJDCRR-UHFFFAOYSA-N 270.275 3.638 30 20 CHED COc1cccc(CSc2nnc(C)c(C)c2C#N)c1C 916569978 LIXVUZDDXADPLG-UHFFFAOYSA-N 299.399 3.574 30 20 CHED COc1cccc([C@H](C)/N=C/c2ccccc2O)c1 917558562 QOWTVQFSYCGRCV-OOIIIRTPSA-N 255.317 3.581 30 20 CHED C=CCC1(c2nc([C@@]3(C)CCCO3)no2)CCCCC1 834680624 CVDCPVKXEJTOTB-OAHLLOKOSA-N 276.380 3.873 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@]1(C)CC=CCC1 839013560 PBTYBVPHOUMZEI-DYVFJYSZSA-N 299.374 3.598 30 20 CHED C[C@@H](NC(=O)N1CCCCCCCC1)c1ccc(C#N)cc1 836242872 QPYXBCXBOBBREQ-OAHLLOKOSA-N 299.418 3.985 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C(=O)O)[nH]2)oc2ccccc12 832849128 YGNZUNNNVNHPAZ-CLFYSBASSA-N 295.294 3.664 30 20 CHED CCc1ccc(C(=O)/C=C/c2conc2CC)s1 834412933 XCNKLNVOBQAXMD-FNORWQNLSA-N 261.346 3.757 30 20 CHED N#Cc1ccccc1OCc1c(F)c(F)c(F)c(F)c1F 916452907 ZDAVSHWVFSJNIG-UHFFFAOYSA-N 299.198 3.833 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)OCc2cc(C#N)ccc2F)C1 745156360 BPWGYCPCRIJYDB-DGCLKSJQSA-N 275.323 3.567 30 20 CHED CC(F)(F)CCC(=O)[C@H](C#N)c1ccc2ccccc2n1 916849781 RWUVVUKJRAZKFF-GFCCVEGCSA-N 288.297 3.846 30 20 CHED C#C[C@@H](NC(=O)CCCc1ccc(C)s1)c1ccccc1 843645138 YYRWRJHVNJDKPV-QGZVFWFLSA-N 297.423 3.870 30 20 CHED C#CCCCNC(=O)Nc1cc(C(C)(C)C)ccc1OC 743071896 TXOWHXSELCCGQZ-UHFFFAOYSA-N 288.391 3.528 30 20 CHED CCCCCCCCn1ncc2ccccc2c1=O 915670687 DBXVJPLGOIQMRO-UHFFFAOYSA-N 258.365 3.757 30 20 CHED C[C@@H]1CC2(CCOCC2)CN1CCC1(C#N)CCCCC1 592182461 AWDGAQMFMKIYDQ-MRXNPFEDSA-N 290.451 3.742 30 20 CHED CCCCCCCCOCC(=O)Nc1cc(C)ccn1 741527994 YXDFKDFZAQLFDQ-UHFFFAOYSA-N 278.396 3.706 30 20 CHED C#CCCCC(=O)N1CCC[C@]1(C)Cc1cccc(F)c1 843628531 QOEJLXYZODNZOM-GOSISDBHSA-N 287.378 3.553 30 20 CHED C#CCOc1ccc(CN[C@H](C)C[C@@H](C)CC)cc1 742380305 LHNVITVUMNEUOJ-LSDHHAIUSA-N 259.393 3.613 30 20 CHED N#CCC1(CSc2nc3cc(F)c(F)cc3[nH]2)CC1 594888760 DJWVSKDSNLWBCE-UHFFFAOYSA-N 279.315 3.627 30 20 CHED Cc1ccc(C(F)(F)F)c(NC(=O)N(C)[C@H](C)CC#N)c1 597075055 IXESPIWPQNSCSG-SNVBAGLBSA-N 299.296 3.780 30 20 CHED CCC(CC)CN(CCC#N)CCc1cccs1 744405155 DNXMGRGOAJTUOA-UHFFFAOYSA-N 264.438 3.942 30 20 CHED Fc1ccc(CNN=C2CCCc3ccccc32)cc1F 915973942 AQWQGKGQIYIUTM-UHFFFAOYSA-N 286.325 3.795 30 20 CHED C=C1CN(C(=O)C/C=C\c2ccc(C(C)C)cc2)C1 912447621 HNMAZMSPZGUJSD-PLNGDYQASA-N 255.361 3.612 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)Cc1ccccc1Cl 916644372 SYGBJBCTSHCJSO-CYBMUJFWSA-N 292.810 3.655 30 20 CHED Cn1ccc(C=NNc2ccc(Cl)c(Cl)c2)c1 749858934 LRUGZOPTQYMCQY-UHFFFAOYSA-N 268.147 3.778 30 20 CHED C=CCCCOC(=O)[C@H]1CCCCN1Cc1ccccc1 741355309 VSKBSWOZCWOZEJ-QGZVFWFLSA-N 287.403 3.551 30 20 CHED C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H](CC#N)C1 595611694 MWZWNPKZQUQNSG-VXGBXAGGSA-N 264.319 3.651 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](CC)c1ccc(C)cc1 743463334 VMWORKISWGQCPQ-HOCLYGCPSA-N 276.376 3.971 30 20 CHED C#CCCOC(=O)/C=C(\CC)c1cccc(Cl)c1 745949968 XUJKCADPQVGZCU-VAWYXSNFSA-N 262.736 3.700 30 20 CHED CC[C@@H]1C[C@H]1CNC(=O)c1c(Cl)cc(C#N)cc1Cl 590870853 NQVOYMULDHEIIV-ZJUUUORDSA-N 297.185 3.641 30 20 CHED CC(C)(C#N)CCCn1ncc(Cl)c1C1CC1 596313300 SOEZQEXOECWYQE-UHFFFAOYSA-N 251.761 3.744 30 20 CHED CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCC1(CC#N)CC1 744276218 DIEXXFVVZQXAAN-KKUMJFAQSA-N 293.407 3.597 30 20 CHED O=C(O)c1ccccc1NN=C/C=C/c1ccc(F)cc1 747755825 WQIMCPQYCNWGRW-ZRSOARAGSA-N 284.290 3.635 30 20 CHED C=CCCSCCN[C@H](C)c1ccccc1N(C)C 595059140 LROIMTYUCLHZJS-CQSZACIVSA-N 278.465 3.713 30 20 CHED O=C(O)c1cc(NN=CC2CCCC2)ccc1Cl 741837848 OTHPSIXWBDULIM-UHFFFAOYSA-N 266.728 3.626 30 20 CHED CCCCCC[C@@H](C)NC=C1C(=O)CC(C)(C)CC1=O 920976734 QXIAMJZBOHBTSG-CYBMUJFWSA-N 279.424 3.777 30 20 CHED C#CCN(C(=O)N[C@@H](C)c1ccccc1SC)C(C)C 922344616 BOMJBBBVNQILJJ-ZDUSSCGKSA-N 290.432 3.523 30 20 CHED COc1cccc(/C=N/[C@@H]2CCc3cc(F)ccc32)c1O 920174929 RKKXQSVHEADKEU-GDXCHIGESA-N 285.318 3.646 30 20 CHED COc1cccc(C2(CN[C@H](C)CC(C)(C)C#N)CC2)c1 926441405 BVMQLESVXYBLNU-CQSZACIVSA-N 286.419 3.645 30 20 CHED C=CC[C@@H](C)NC(=O)/C(C)=C/c1ccccc1Cl 755903028 LOAYJXVCGBLKMW-HCRIHEDKSA-N 263.768 3.824 30 20 CHED C#CCN(Cc1ccnc(C)c1)[C@H]1CCc2ccccc21 856721901 LKOKRANPRVWXDS-IBGZPJMESA-N 276.383 3.513 30 20 CHED CCCCCCCCN1CCC[C@H](N(C)C)CC1 759975064 FZEHSQCCBZFIBH-INIZCTEOSA-N 254.462 3.763 30 20 CHED C#CC[C@@H](NCc1ccc(Cl)nc1)c1ccccc1 756998663 YKCBEWDPBOVAPN-OAHLLOKOSA-N 270.763 3.589 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)/C=C/SC)c1 751576546 BAFRGRDFYSWOHL-PKNBQFBNSA-N 297.379 3.671 30 20 CHED CC[C@@H](C)C=NNc1ccc([N+](=O)[O-])cc1Cl 755689235 NGBXRFKQOJOXCU-MRVPVSSYSA-N 255.705 3.692 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(O)c(F)c1)CO2 755588467 BVKAEUMJYQDPQQ-NTUHNPAUSA-N 298.313 3.807 30 20 CHED C=C[C@@](C)(O)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 854752133 ONSQYACZGUUEDO-OAHLLOKOSA-N 297.395 3.592 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1cnc(C(C)=O)s1 851143911 OLWYTOCNGREUGS-NEPJUHHUSA-N 293.388 3.637 30 20 CHED C#CCCCNC(=O)[C@@H](CCC)c1cccc(Cl)c1 859669704 ZKVHRBIYSAKGKL-HNNXBMFYSA-N 277.795 3.753 30 20 CHED C#CCCOC(=O)N[C@@H](CC)c1ccc(Cl)s1 858983835 IOIFJQSNLCJQJU-VIFPVBQESA-N 271.769 3.602 30 20 CHED Fc1ccc(Cl)cc1C=NNc1ncccc1Cl 753698494 WVOPNKIOQLJOAV-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CC(C)[C@H](N[C@@H](C#N)c1ccccc1)[C@@H](O)c1ccccc1 852034443 GTLJPYMFRUDHRA-FHWLQOOXSA-N 294.398 3.599 30 20 CHED C=CCc1cc(OC)cc(CN2CCC[C@H]2C2CC2)c1O 754727100 OHUJSLAHQHIHEZ-KRWDZBQOSA-N 287.403 3.504 30 20 CHED Cc1nc(Cl)cc(NN=Cc2cc(Cl)ccc2F)n1 753710130 VGUNYXGNEJGJLK-UHFFFAOYSA-N 299.136 3.677 30 20 CHED C#CC[C@H](NC(=O)N1CCc2ccccc21)c1ccccc1 757764383 VFUMVQSPJWKMOT-KRWDZBQOSA-N 290.366 3.523 30 20 CHED CCCOc1ccc(-c2cc(F)ncc2C)cc1C#N 854189995 SMQORQSZIDIMKL-UHFFFAOYSA-N 270.307 3.857 30 20 CHED C=CCCONC(=O)c1cc2ccc(C(C)C)cc2[nH]1 856030205 TZRFIZJNDYOFPZ-UHFFFAOYSA-N 272.348 3.529 30 20 CHED C=CCC(CC=C)C(=O)N(C)CCc1ccccc1F 758481537 MFQKRYOWLPRPCF-UHFFFAOYSA-N 275.367 3.595 30 20 CHED CC(/C=C\C(=O)c1cc(O)ccc1O)=C\c1ccccc1 757468822 YGYOVAWIKXMULS-OJNBOFHUSA-N 280.323 3.940 30 20 CHED N#Cc1cc(Cl)ccc1SCc1ccc(C(=O)O)o1 833068857 OCMOQWRXGMOALS-UHFFFAOYSA-N 293.731 3.795 30 20 CHED C=CCCCCCCCNC(=O)c1ccc(CO)c(F)c1 752985728 QMYRJAKDHVCXCA-UHFFFAOYSA-N 293.382 3.574 30 20 CHED C#C[C@@](C)(CC)NC(=O)CC(C)(C)CC(=O)c1ccccc1 854703643 ATMGYVSPIPXFFN-IBGZPJMESA-N 299.414 3.594 30 20 CHED C#CCCCC(=O)O[C@H](C)c1cccc(Cl)c1 759174343 SIXZWYWLHMFJLI-LLVKDONJSA-N 250.725 3.748 30 20 CHED C#CC[C@@H](NC(=O)c1cc(C)ccc1F)c1ccccc1 757577373 GYXDSIKQDNGWAC-QGZVFWFLSA-N 281.330 3.629 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C\c1ccc(F)cc1 759608873 FLEVDDDGMMDEKS-YHYXMXQVSA-N 287.309 3.927 30 20 CHED CC#CCCOC(=O)c1cc2cc(F)ccc2s1 760284192 XGFIAKNJRSBGCX-UHFFFAOYSA-N 262.305 3.611 30 20 CHED CCCn1cc(/C=C2\C(=O)c3ccccc3[C@@H]2C(C)C)nn1 865224062 ONFIRUBHPZMWTH-RNIVLKNTSA-N 295.386 3.708 30 20 CHED C#CCOc1ccc(CNc2nccc3sccc23)cc1 763412242 OQZQRACMFZFWTC-UHFFFAOYSA-N 294.379 3.920 30 20 CHED CCCCCCCNC(=O)C(C)(C)C1CCC(O)CC1 862357013 MITREAUVHLAQPG-UHFFFAOYSA-N 283.456 3.650 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 761431949 VQVBUULGULRWHA-RRFJBIMHSA-N 278.392 3.671 30 20 CHED C#CCCCN(Cc1cccc(C)c1)Cc1ccccn1 766923546 ZMIGBUWKNMXBKU-UHFFFAOYSA-N 278.399 3.806 30 20 CHED Cc1noc(C)c1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 763291307 WBAONNSVRVYWBD-WPBJZHHJSA-N 279.339 3.991 30 20 CHED C=CCN(Cc1ccc(OCC(F)F)cc1)C(C)C 768547831 RBIIYUBZKQFSNB-UHFFFAOYSA-N 269.335 3.727 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNC[C@H]2C[C@H]3CC[C@H]2C3)c1 762555036 MMXRBVJMPKKSJG-OWLYRPNTSA-N 298.430 3.893 30 20 CHED O=C(O)c1csc(/C=C\C(=O)c2cccc(Cl)c2)c1 765827561 WCDHEDSEFPQECY-PLNGDYQASA-N 292.743 3.996 30 20 CHED C#C[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 877541545 PXZXLOSQFQDHFR-CABCVRRESA-N 277.795 3.562 30 20 CHED CC(=NNCC(F)(F)F)c1ccc(-c2ccccc2)o1 769808519 PZYVRQTZRUEMNT-UHFFFAOYSA-N 282.265 3.823 30 20 CHED C=C[C@H](COC)N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 1116865672 QQYYEDATHFRQPW-TYNCELHUSA-N 267.800 3.623 30 20 CHED CC(C)c1ncsc1NC(=O)CC#Cc1ccccc1 1117889599 VGFWJKJAIVMMLU-UHFFFAOYSA-N 284.384 3.647 30 20 CHED C=C(CC)COC(=O)c1cnn([C@@H](C)CC)c1C1CC1 773548104 XAXXFFRUOROAFK-LBPRGKRZSA-N 276.380 3.855 30 20 CHED N#Cc1ccc(-c2nnc(-c3cc(F)cc(F)c3)o2)cc1 1117213999 GCIHQVJSJNDEKO-UHFFFAOYSA-N 283.237 3.553 30 20 CHED COCCC(=NOC1CCCC1)c1ccc(F)cc1 774596610 HOSBOXMOONKFEN-UHFFFAOYSA-N 265.328 3.526 30 20 CHED C=C(C)CN(C)C(=S)Nc1ccc(F)c(Cl)c1 777919409 UPGOWFIHNNPNBO-UHFFFAOYSA-N 272.776 3.684 30 20 CHED C#CCCCCCC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 779902091 BHCYNOBKYYMDBD-IEBWSBKVSA-N 299.414 3.607 30 20 CHED C=CCc1cc(OCC)cc(CN(C)CC(=C)C)c1O 777961010 QRNLZAIGDNUWMO-UHFFFAOYSA-N 275.392 3.527 30 20 CHED N#CC1(CN2CCCc3cc(OC(F)(F)F)ccc32)CC1 775981216 ZQYLRUCVRMZBHY-UHFFFAOYSA-N 296.292 3.642 30 20 CHED Clc1ccc(C=NOC2CCOCC2)c(Cl)c1 774431082 JKKGDGFBFYSQDY-UHFFFAOYSA-N 274.147 3.523 30 20 CHED N#Cc1ccc(F)c(C(=O)O[C@H]2CCc3cc(F)ccc32)c1 1126780417 RHDYGEJUZJNODF-INIZCTEOSA-N 299.276 3.681 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)c2ccc(OC)cc2C[C@H]1C 782081578 KLIDPXWXBDITGQ-CABCVRRESA-N 299.414 3.723 30 20 CHED CSc1ccc(C(C)=NN[C@@H]2CCCOC2)c(Cl)c1 780259701 CZRQIWBNTJCVKO-LLVKDONJSA-N 298.839 3.555 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cncc(F)c2)cc1F 782343593 WWVKIVNGGWVEOL-HYXAFXHYSA-N 289.281 3.655 30 20 CHED C[C@H]1CCC(=NN[C@@H](CO)c2ccccc2)c2ccccc21 788453746 BBAZCAWMQQYQCT-LIRRHRJNSA-N 294.398 3.611 30 20 CHED C=CCOc1cccc(NC(=O)c2cnoc2C(C)C)c1 1123604192 IFMMDLFQUJYJND-UHFFFAOYSA-N 286.331 3.615 30 20 CHED C#C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(C)C 798343497 IBGPBJZPYCUIGV-QFULYMJESA-N 270.159 3.776 30 20 CHED C=CCC(C)(C)C(=O)Nc1nn(C(C)C)cc1Cl 894877392 WOPSWFVGKJGSEF-UHFFFAOYSA-N 269.776 3.658 30 20 CHED C/C=C(\CC)C(=O)OCc1ccccc1C(C)(C)C#N 789226102 FTZATTHQCHYFDX-WLRTZDKTSA-N 271.360 3.887 30 20 CHED COCCC1(C=NNc2ncncc2Cl)CCCCC1 780282409 CNRYWZRAGYLMGY-UHFFFAOYSA-N 296.802 3.515 30 20 CHED C=C1CC(c2noc(-c3ccc4ccn(C)c4c3)n2)C1 896875500 GZPCIJUDBRLBOV-UHFFFAOYSA-N 265.316 3.662 30 20 CHED c1ccc(-c2noc(NN=C3CCC34CCCC4)n2)cc1 788715367 VUVQNVGTNYRSDB-UHFFFAOYSA-N 282.347 3.859 30 20 CHED CC(C)Cc1ccc(C=NN[C@@H]2CCOC(C)(C)C2)cc1 780248474 AXPYBTBMXGRZRT-QGZVFWFLSA-N 288.435 3.766 30 20 CHED CCC/C=C\C(=O)OCc1ccc(Cl)cc1C#N 780494182 HBVLPTDWARHLJK-PLNGDYQASA-N 263.724 3.611 30 20 CHED Cc1nc(Cl)cc(NN=C2CC[C@H](C)C[C@H]2C)n1 783850145 QABHCQSQABJUPA-DTWKUNHWSA-N 266.776 3.662 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccc(C#N)cn1 783295128 ZZJORKDMEXQGDB-DYVFJYSZSA-N 277.371 3.600 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)n(C)n1 789159062 JRXHVRAIPFHCCX-ARJAWSKDSA-N 295.169 3.931 30 20 CHED N#C[C@@H](OC(=O)c1ccnc(C2CC2)c1)C1CCCCC1 783244090 BVSUCRCWIBVUAU-MRXNPFEDSA-N 284.359 3.588 30 20 CHED C=C(Cl)CNCc1c(Cl)cc(Cl)cc1N(C)C 1200703223 MKLLUXIQRYDBPA-UHFFFAOYSA-N 293.625 3.902 30 20 CHED CCCCCCCC[C@H](N)c1nc(-c2ccncc2)no1 899990696 UDXAXJAPDABOPM-AWEZNQCLSA-N 288.395 3.882 30 20 CHED FCC[C@H]1CCCC1=NNc1ncnc2sccc12 794888112 NXPQEPSHXDTCOQ-SECBINFHSA-N 278.356 3.619 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNCCC(F)(F)F 794553489 RSWKOFYPJSJBCV-SECBINFHSA-N 250.308 3.731 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc2ccccc2c1 794692052 UEHFQONQOREOCU-MDZDMXLPSA-N 276.339 3.778 30 20 CHED CSc1ccc(/C=C\C(=O)c2c(C)nn(C)c2C)s1 798232181 XVPNMSRYWLAOSK-ALCCZGGFSA-N 292.429 3.716 30 20 CHED Fc1cccc(NN=C(Cc2ccccc2)C2CC2)n1 795007915 RDFFMDMMRNJCST-UHFFFAOYSA-N 269.323 3.641 30 20 CHED Clc1ccc2c(c1Cl)CCC2=NNc1cncnc1 794977925 DKCRWEZQRAJQIU-UHFFFAOYSA-N 293.157 3.546 30 20 CHED C[C@@H](CNC(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1208346444 YSEJBCQYGGBZNP-LBPRGKRZSA-N 297.333 3.623 30 20 CHED O=C(/C=C/c1ccc(Cl)s1)c1ccnc(F)c1 794718621 CANRBWSVZFUKGG-HNQUOIGGSA-N 267.712 3.832 30 20 CHED Cc1ccccc1CC(=N)NO[C@H](C)c1cccc(C#N)c1 794719154 AXDHRIKGKAKFPS-CQSZACIVSA-N 293.370 3.669 30 20 CHED CC(=NNCc1c(Cl)cccc1Cl)c1ccccn1 793116037 VMGZXMDXQFOPDT-UHFFFAOYSA-N 294.185 3.902 30 20 CHED CCc1ncc(CNc2ccc(Cl)c(C#N)c2)s1 37924214 VWESAENKKIKJSJ-UHFFFAOYSA-N 277.780 3.843 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)n1)c1ccc(C)cc1 1219254443 ICDOTAQRUNDWFF-OAHLLOKOSA-N 294.358 3.535 30 20 CHED COc1ccc(Nc2ccc(C#N)c(C)n2)cc1SC 1307138976 KEGHFIMUQZZZII-UHFFFAOYSA-N 285.372 3.736 30 20 CHED C[C@H](CN(C)c1cccc(C#N)n1)C1CCCCC1 1163890945 NAOHJYXIRDDGED-CYBMUJFWSA-N 257.381 3.606 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cnoc2C2CC2)c1 1319432837 LEKXQGGQVMGLBY-UHFFFAOYSA-N 298.342 3.759 30 20 CHED C#CCN(Cc1ccc(N2CCCCC2)cc1)CC1CC1 1319841643 PXTHVQMJRNXPKD-UHFFFAOYSA-N 282.431 3.522 30 20 CHED Cc1ccc(C)c2c1OCCC2=NN[C@@H](C)c1ccncc1 1325905101 WSNSUPWGDAMTIN-AWEZNQCLSA-N 295.386 3.536 30 20 CHED C[C@@H](c1ccccc1)N(C(=O)c1csc(C#N)c1)C1CC1 1324399987 NEGFIIICYYJIHE-LBPRGKRZSA-N 296.395 3.986 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N1CCC(CC#N)CC1 397246216 UJXMQXXLZYEJQV-HNNXBMFYSA-N 264.413 3.601 30 20 CHED N#CCCCOC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 1327643019 NZYMQOJNLFLIPC-UHFFFAOYSA-N 296.248 3.647 30 20 CHED C[C@@H]1CC[C@H](NCCc2ccc(C#N)cc2)C[C@H]1C 1172359786 NVSNVJQWXXXZEQ-CPUCHLNUSA-N 256.393 3.515 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1C[C@H]2CCC[C@H](C1)C2 1325126749 QJGBEXGDGZDWEE-STQMWFEESA-N 297.402 3.755 30 20 CHED C#CCOc1ccccc1-c1noc(-c2occ(C)c2C)n1 1324262757 RKYSUVGTHVWZCL-UHFFFAOYSA-N 294.310 3.625 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1ccc(OCC#N)cc1 1320674662 FQJHMBOJDUVELY-OAHLLOKOSA-N 280.371 3.941 30 20 CHED CC(C)(C)c1ncc(CNc2ccccc2C#N)s1 62838799 MWEGVGIIFQCSNR-UHFFFAOYSA-N 271.389 3.924 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(OC)c2ccccc12 1320593656 ZWTHCSSTHBYHHF-KGLIPLIRSA-N 285.387 3.700 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1csc(C#N)c1 1324503488 VFSOHPRQEPMENK-YPMHNXCESA-N 290.432 3.907 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cccc(C(F)F)c1 1325108998 YJVNZFVZRASAOF-ZDUSSCGKSA-N 282.334 3.778 30 20 CHED C=CCCCCN[C@@H](C)c1cncc(Br)c1 568276632 NUGAWDZEQYRIPP-NSHDSACASA-N 283.213 3.851 30 20 CHED CCCc1ccc(Nc2ncc(C#N)cc2F)cc1 1184500999 RKPQJVDAVJJLBM-UHFFFAOYSA-N 255.296 3.788 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)Nc2cccc(C#N)c2)C1(C)C 699132655 DYQBRFISJXMLDE-SJCJKPOMSA-N 270.376 3.959 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)CC1 1332673408 GWERPDIFIDLQCQ-IAGOWNOFSA-N 293.451 3.833 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(c2ccccc2C#N)C2CCC2)C1 1331467550 AIIUHBRPVYVONL-ZIAGYGMSSA-N 282.387 3.880 30 20 CHED C#CCN(C(=O)[C@H]1CCC(C)(C)C1)C1CCCCC1 781625892 LJCJXZALUCOFOX-AWEZNQCLSA-N 261.409 3.607 30 20 CHED CC1(C)[C@@H](C(F)(F)F)CCN1CC(F)(F)C(F)F 787326768 JXIXOSZYGWOCMY-LURJTMIESA-N 281.215 3.550 30 20 CHED C[C@@H](c1nnc(-c2cccc(C#N)c2)o1)c1cccs1 1257952253 ZYMLNZIAGWDCLL-SNVBAGLBSA-N 281.340 3.822 30 20 CHED CC[C@@H]1CCN(c2ncc(Cl)c(C)c2C#N)[C@@H]1C 1186184968 RQIIBEVSZIEEKH-GHMZBOCLSA-N 263.772 3.540 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@H](C)c2ccccc2C)n1 1341725584 XCQALESHFFSBER-TZMCWYRMSA-N 284.384 3.740 30 20 CHED C[C@@H](c1nnc(-c2cccc(C#N)c2)o1)C1CCC1 1349987479 YJLBZZKPFIIGEL-SNVBAGLBSA-N 253.305 3.512 30 20 CHED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@@H]2F)cc1 1264522209 ZIRZOIQJDVXOCU-BBWFWOEESA-N 294.329 3.639 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)Cc1ccoc1)c1cccs1 1345146744 HHPLBNRPLOPKLO-DOMZBBRYSA-N 289.356 3.718 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1cnc(C)s1 1341165875 KXMURVKQIHNEPQ-AAEUAGOBSA-N 293.436 3.653 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)OCc1ccc(CC#N)cc1 1357689536 LOLNKMIYENTKHP-JKSUJKDBSA-N 285.387 3.868 30 20 CHED CC(C)CC1(CNC(=O)c2ccc(C#N)cc2F)CCC1 1519167621 BKGXHSFWFCOCPC-UHFFFAOYSA-N 288.366 3.644 30 20 CHED CC(C)(C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1289298406 IORIHWXILZUSFB-UHFFFAOYSA-N 294.354 3.988 30 20 CHED CC[C@@H](C)CCCCC(=O)[C@H](C#N)c1nccn1CC 1517046708 PISZUPGNPMNDPT-KGLIPLIRSA-N 275.396 3.686 30 20 CHED N#Cc1ccc(C(=O)OCc2sccc2Cl)c(F)c1 1538559913 UMJVUBHYUXWOMS-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CCSc1ccc(CNc2ncc(C#N)cc2F)cc1 1612824847 POYNQTSVGGGJPT-UHFFFAOYSA-N 287.363 3.816 30 20 CHED CC1(C)C(CNc2c(C#N)cccc2C#N)C1(C)C 1472768520 LUWQWATXONMWBD-UHFFFAOYSA-N 253.349 3.524 30 20 CHED N#Cc1nc(=Nc2ccc(SC3CCCC3)cc2)cc[nH]1 1612154791 FEJQQWRVDLMANF-UHFFFAOYSA-N 296.399 3.548 30 20 CHED C=CCN(Cc1ccc(F)cc1Br)C(C)C 917071523 UNZJBSJIPCFHKN-UHFFFAOYSA-N 286.188 3.985 30 20 CHED C[C@@H]1C[C@H]1[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)cc1 1639474630 PHKCAFQPDSSMGL-SSKCKEOISA-N 297.789 3.838 30 20 CHED CCCC1(CNC(=O)[C@@H](C#N)CCc2ccccc2)CCC1 1631645840 VKUMJDIOJHJIII-QGZVFWFLSA-N 298.430 3.846 30 20 CHED C=C(Cl)CSc1ccc(C(=O)OCC)cc1F 1644033036 BFMWAJIXCGHAJP-UHFFFAOYSA-N 274.744 3.847 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 1585134699 JQTIRPUUJTUUEM-INWMFGNUSA-N 284.403 3.811 30 20 CHED CC[C@@H]1CN(CCc2ccc(C#N)cc2)c2ccccc2O1 1657432423 YMNLPTPLPFHPPK-QGZVFWFLSA-N 292.382 3.778 30 20 CHED C=C(Br)CN[C@@H]1CCCC[C@H]1CCC 1654232029 RKLPJEBRVIUWIK-VXGBXAGGSA-N 260.219 3.844 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c1 1583908536 KHDGIDHKQPPQRP-DNVCBOLYSA-N 296.414 3.955 30 20 CHED CC(CCc1ccco1)=NNc1ccc(F)c(C(=O)O)c1 1592552023 INEXAINLIGBDHD-UHFFFAOYSA-N 290.294 3.538 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(F)cc1C#N 1669604915 PKOWVUVASRSSMT-BZNIZROVSA-N 289.354 3.788 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)Nc2sccc2C#N)C1 1671449914 QURRDPBORYQWTA-SRVKXCTJSA-N 291.420 3.956 30 20 CHED C=CCCCCN(C)Cc1ccc(C(=O)O)c(Cl)c1 1776174954 MXKDBFUABRSJKE-UHFFFAOYSA-N 281.783 3.826 30 20 CHED C=CCc1ccccc1CN[C@@H](C)CCC[C@@H](C)C(=O)O 1776188508 XEGUYEHWEDCXMC-CABCVRRESA-N 289.419 3.784 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2ccccc2C(=O)O)C1 1776030568 PWGAVWHZIJUIFQ-CHWSQXEVSA-N 274.364 3.999 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C)[C@@H]1C 1690329395 WKFISIBMIZYENN-MDZLAQPJSA-N 296.846 3.779 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H](CC)c1ccc(F)cc1 161341639 TVVRUUNXAHOUBN-RISCZKNCSA-N 281.396 3.701 30 20 CHED C=CCC(CC=C)C(=O)OCc1nc(C)sc1C 161853421 WRLPWFMPUCDMHB-UHFFFAOYSA-N 265.378 3.572 30 20 CHED C[C@@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(F)cc1F 161889742 UQKJDBGMHDMIPL-HZMBPMFUSA-N 294.345 3.513 30 20 CHED Cc1nc(Cl)cc(N[C@H](CCC#N)c2ccccc2)n1 164281999 QXFRNESWQQSYLE-CYBMUJFWSA-N 286.766 3.895 30 20 CHED C=CCCCOC(=O)/C=C/SCc1ccco1 151750726 GTOOREWEPGRIOZ-JXMROGBWSA-N 252.335 3.536 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc(CC)s1 156807949 KQZBEGWRHPOFOW-UHFFFAOYSA-N 266.410 3.524 30 20 CHED CN(C(=O)c1ccsc1Cl)c1cccc(C#N)c1 1264782904 WKPIPVSVHLHQSK-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CS[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 227360041 XRPQDPLICSCXDZ-AAEUAGOBSA-N 291.376 3.553 30 20 CHED COc1ccc(C#N)cc1COc1ccc(C)c(C)c1 130512254 XJAXTYCIMNUMBZ-UHFFFAOYSA-N 267.328 3.763 30 20 CHED CC1CCC(N(C)Cc2cc(C#N)ccc2F)CC1 42316481 XFHWBNPKXXDEST-UHFFFAOYSA-N 260.356 3.708 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1Cl 63021674 NFCJPJMMQPKAOD-OAHLLOKOSA-N 290.794 3.851 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)c2ccccc21 404060765 IAQHIUPCIYFHDU-GFCCVEGCSA-N 266.319 3.821 30 20 CHED COc1ccc(C)cc1CNc1cc(F)cc(C#N)c1 600858541 QANUTSWNMSJINV-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1nccc(Sc2ccc(Cl)cc2Cl)n1 322931191 NLSIWTBEVQFEPF-UHFFFAOYSA-N 282.155 3.806 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cn1 92195866 VYHVYVSOZQWCPD-NEPJUHHUSA-N 269.323 3.504 30 20 CHED Cc1cccc(CNc2ncc(C#N)cc2Cl)c1 339134323 VFZWIQPDJCWUCT-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=CCCSCCNCc1ccc(SC)cc1 594960157 LMGJOKCNTSMRLR-UHFFFAOYSA-N 267.463 3.807 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)cc1Cl 565307391 KKEBTEFDZNNQEY-QWHCGFSZSA-N 274.751 3.586 30 20 CHED N#Cc1cccc(CSCCOc2ccccc2)c1 58030890 HVVUNRVUUVYBMT-UHFFFAOYSA-N 269.369 3.870 30 20 CHED Cc1c([C@H](C)NC(=O)NCCCCC#N)oc2ccccc12 171743276 ZNBHVZWKYJPKOW-ZDUSSCGKSA-N 299.374 3.795 30 20 CHED Cc1cc(C)c(C#N)c(S[C@H](C)OC(=O)OC(C)C)n1 175226131 ZFSKUTZZZQMULP-LLVKDONJSA-N 294.376 3.570 30 20 CHED C=CCCCC(=O)N[C@H](c1ccccc1)c1ccncc1 175203266 KMLNIPRWHOGUFJ-GOSISDBHSA-N 280.371 3.644 30 20 CHED Cc1cc(N(C)C)ccc1CNc1ccc(C#N)cc1 115521891 FBEWWMCJYXTXGM-UHFFFAOYSA-N 265.360 3.545 30 20 CHED C/C=C(\C)C(=O)Nc1sc2c(c1C#N)CCCCC2 178769675 FZFPRWMYRMLZQB-XCVCLJGOSA-N 274.389 3.793 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H](C)c1ccco1 69605485 UWVKOENZLXOCNS-LBPRGKRZSA-N 283.331 3.685 30 20 CHED CCC[C@@H](C)C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 171919300 ONFYSDQQRHDCMC-KGLIPLIRSA-N 272.392 3.904 30 20 CHED Cc1ccc(F)c(NC(=O)N(CCC#N)CCC(C)C)c1 176793150 FWAWZBAKJPAULI-UHFFFAOYSA-N 291.370 3.928 30 20 CHED Cc1ccc(N/C(N)=N/[C@@H]2C[C@H]2c2ccccc2C)cc1 304736406 ABUADBCHXJZQTR-DLBZAZTESA-N 279.387 3.586 30 20 CHED N#Cc1ccc(N[C@H](c2ccc(Cl)cc2)C2CCC2)nn1 302015916 YLCQZEMCKMULEL-INIZCTEOSA-N 298.777 3.955 30 20 CHED C=CCCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 175724877 RMNHAYYFWSMASV-HIFRSBDPSA-N 275.367 3.886 30 20 CHED C#CCCOc1ccc(CNCc2ccc(C)s2)cc1 113323340 IXTCDNDQCQNWQF-UHFFFAOYSA-N 285.412 3.748 30 20 CHED CN(C(=O)c1ccsc1)c1cc(Cl)ccc1C#N 176426491 UITCPNZMRKZVGC-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CCOCc1cccc(Nc2ccc([N+](=O)[O-])cc2C#N)c1 301151399 DFCUAYNYESEUFA-UHFFFAOYSA-N 297.314 3.747 30 20 CHED CCCCCCCCOCC(=O)Nc1ccncc1C 119480995 DJAQLBGKGAMQAS-UHFFFAOYSA-N 278.396 3.706 30 20 CHED C=C(C)CN(CC)C(=O)Cc1c(C)nc2ccccc2c1C 60624938 BDBOMWCFULKRGW-UHFFFAOYSA-N 296.414 3.819 30 20 CHED C=CCSCCNCc1c(C)oc2ccccc12 230154964 LMLPYYUKWGVBTA-UHFFFAOYSA-N 261.390 3.750 30 20 CHED CCOc1ccc(C(=O)CSc2cccc(C#N)c2)cc1 177102517 AZFCTXASGLOQJQ-UHFFFAOYSA-N 297.379 3.932 30 20 CHED Cc1ccccc1N/C(N)=N/Cc1cc2ccccc2o1 170907090 HXQYLZNQAOJDQV-UHFFFAOYSA-N 279.343 3.668 30 20 CHED C#CCCCCc1nc(-c2ccc(F)c(C)c2)no1 179624671 ZMCQJLQRWKKJCX-UHFFFAOYSA-N 258.296 3.530 30 20 CHED C=CCC[C@@H](NCC[C@@H]1CCCO1)c1ccccc1 178756426 GOYNSUZGIIHBBY-DLBZAZTESA-N 259.393 3.853 30 20 CHED CC1(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)CCCCC1 126093167 IZQUYXDMWRKRBR-OAHLLOKOSA-N 298.386 3.694 30 20 CHED CCN(Cc1ccc2c(c1)CCCC2)C[C@H](C)C#N 430231227 XRLVXDAADVLTEN-CQSZACIVSA-N 256.393 3.547 30 20 CHED Cc1ccc2cc(C(=O)Nc3ccccc3C#N)ccc2n1 120490295 PDJWVXHRCPSRBL-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCCSc1nnc(NCCc2cccs2)s1 303797241 LBYHBSYFFNJXHJ-UHFFFAOYSA-N 297.474 3.922 30 20 CHED C=C(C)[C@@H](NCCOC(C)(C)C)c1ccc(F)c(F)c1 187771644 LSRYOYKCSFAKIG-OAHLLOKOSA-N 283.362 3.987 30 20 CHED CN1CCC[C@@H]1CCSc1ccc(C#N)cc1Cl 126779000 UWTZRKDUJCYVIC-GFCCVEGCSA-N 280.824 3.788 30 20 CHED CC(C)(C#N)COC(=O)c1csc(-c2cccs2)n1 180090133 RFKDGNBVJYDGIW-UHFFFAOYSA-N 292.385 3.578 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCc1ccccc1 187430216 PYTSXGIRBJWRGH-HNNXBMFYSA-N 264.372 3.794 30 20 CHED N#Cc1cccc(NCc2ccc3sccc3c2)n1 357594915 JWGPZYVRJOCDNQ-UHFFFAOYSA-N 265.341 3.780 30 20 CHED CCn1ncc2ccc(NCC(C)(C)CCC#N)cc21 123390867 JSIHFONQJGPBRR-UHFFFAOYSA-N 270.380 3.798 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1cccn1C 181112490 JVXOTGNTOHUVOQ-ZBFHGGJFSA-N 289.423 3.616 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)c2cccc(CC#N)c2)c1 78169478 VERVCOXHTYIZOH-HNNXBMFYSA-N 292.382 3.595 30 20 CHED C=CCC1(C(=O)NCC2(C)Cc3ccccc3C2)CCC1 189934298 GYSYCHJKFXCVEJ-UHFFFAOYSA-N 283.415 3.654 30 20 CHED CC[C@H](Nc1ncccc1C#N)c1ccc(C)cc1 72521793 SNBVIRBTJCGRHN-HNNXBMFYSA-N 251.333 3.825 30 20 CHED CCCCC[C@@H](C)CC(=O)N[C@@H](C#N)C(C)(C)C 122471135 LKDWMTFNEIXOPQ-OLZOCXBDSA-N 252.402 3.647 30 20 CHED C=CCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 78905976 BFVXMBSXCHVUEY-UHFFFAOYSA-N 296.326 3.736 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 185023779 ILFCJTOJGKRVCA-UHFFFAOYSA-N 299.292 3.616 30 20 CHED C=CCSCCNC(=O)C[C@@H](CC)c1ccc(C)cc1 508853049 PMLYMDMMYQLFSV-OAHLLOKOSA-N 291.460 3.914 30 20 CHED C[C@H](c1cccnc1)N(C)CCC1(C#N)CCCCC1 411415189 FWVBTZWEQWPVED-OAHLLOKOSA-N 271.408 3.939 30 20 CHED C=CCCC1(C(=O)Nc2sccc2C(C)=O)CC1 410894963 GUOWPNUHIRMFAM-UHFFFAOYSA-N 263.362 3.636 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1C[C@H]2CCC[C@@H](C2)C1 413279303 HPMBJQLSAZGOSF-QWRGUYRKSA-N 295.308 3.598 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1ccn(C)n1)c1ccc(F)c(F)c1 414125325 CSWSBWABMCOBTC-BDJLRTHQSA-N 291.345 3.666 30 20 CHED Cc1ccc(OCCCCN[C@H]2CCC[C@@H](C#N)C2)cc1 185783596 GLPNFRKUZVNNHV-SJORKVTESA-N 286.419 3.826 30 20 CHED CCN(CC)Cc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 185762042 QSJRXHHXYAJMOK-QFBILLFUSA-N 299.462 3.700 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)Cc1ccccc1F 126023218 MDBLMGQLEIIPCG-ZDUSSCGKSA-N 275.367 3.641 30 20 CHED C=CCSCCNC(=O)N1CCCC[C@@H]1[C@H](C)CC 509185613 PGKPXPDLEVUVPZ-ZIAGYGMSSA-N 284.469 3.516 30 20 CHED N#CC1(CNC(=O)c2cc(F)ccc2-c2ccoc2)CCC1 416348821 VWWRVJRTVSCWBI-UHFFFAOYSA-N 298.317 3.509 30 20 CHED N#Cc1ncccc1N[C@@H]1CCCc2sccc21 129992762 HGAVAOWXTKXZGT-LLVKDONJSA-N 255.346 3.504 30 20 CHED C=C(C)COc1cc(CN2CCC[C@H]2C)ccc1OC 124405308 IHKOHJAOIOCSBX-CQSZACIVSA-N 275.392 3.634 30 20 CHED N#CCC[C@H](C#N)CN1CCC(Cc2cccc(F)c2)CC1 76513486 NXZKTAIHEXBMCS-QGZVFWFLSA-N 299.393 3.524 30 20 CHED C=CC[C@@H](CO)CN[C@@H]1CCSc2ccc(Cl)cc21 341869563 AUPYWECSMNKBEY-BXUZGUMPSA-N 297.851 3.651 30 20 CHED N#Cc1ccc(NC[C@H]2CCC[C@@H](O)C2)cc1C(F)(F)F 78305325 YDNRHKJMVJODFD-GXFFZTMASA-N 298.308 3.540 30 20 CHED C[C@@H](C#N)N(C)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 410883040 KZTUXUSWQMEBFZ-MNOVXSKESA-N 298.308 3.569 30 20 CHED CC#CCCCC(=O)N1CC=C(c2ccc(F)cc2)CC1 185074939 UUVAAMWFVYIPPA-UHFFFAOYSA-N 285.362 3.635 30 20 CHED N/C(=N\OCc1ccc(C(F)F)cc1)C1CCCC1 185785211 PRNQJQYRZRQVAN-UHFFFAOYSA-N 268.307 3.603 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2nc(C)oc2c1 135587285 IXMAPWTWBOMSCJ-OAHLLOKOSA-N 258.321 3.677 30 20 CHED C=C(C)CCc1noc([C@@H](C)c2cccc(F)c2)n1 508687184 QWYPRFJTXGFTMB-NSHDSACASA-N 260.312 3.869 30 20 CHED CO[C@H](CN(CCC#N)CC(C)(C)C)c1ccccc1 338544654 DCFBLNYDSUDDIK-MRXNPFEDSA-N 274.408 3.636 30 20 CHED C=C(CC)CSC[C@H]1CCN(C(=O)c2ccccc2)C1 419450073 YTRMAXXRNSMROE-HNNXBMFYSA-N 289.444 3.848 30 20 CHED CC[C@H](N[C@H]1CCC[C@@H]2C[C@H]12)c1ccc(C#N)cc1 414218452 ZPNKLADPYJPORE-QZWWFDLISA-N 254.377 3.788 30 20 CHED COc1ccc(C)cc1NC(=O)Nc1ccc(C#N)cc1 45027134 GNDYNUXIEPPVKC-UHFFFAOYSA-N 281.315 3.519 30 20 CHED C=CCCC(=O)N[C@H](CCC)CCc1ccccc1 130334324 YCQRXVJJCSXHBS-MRXNPFEDSA-N 259.393 3.870 30 20 CHED C#Cc1cccc(N(C)C(=O)/C=C/SCc2ccco2)c1 84974091 FSNTXMALBBFIJY-PKNBQFBNSA-N 297.379 3.671 30 20 CHED C=CCC1(C(=O)NCC(C)(C)c2cccs2)CCC1 191815507 UFZQLRKPYVVBEK-UHFFFAOYSA-N 277.433 3.888 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 48417683 DLPKMYGFCWNRNP-FNORWQNLSA-N 289.237 3.769 30 20 CHED CCCc1cc(C(=O)N(C)[C@H](C#N)CCC)sc1C 410823495 AIFHOZPSHCCPLL-ZDUSSCGKSA-N 278.421 3.773 30 20 CHED CCc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)o1 418146522 PRIPQMHXIRYAIN-SFHVURJKSA-N 280.371 3.881 30 20 CHED CC1(C)CCCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412276372 LQPPLXSECKXECZ-DLBZAZTESA-N 296.414 3.700 30 20 CHED CCN(Cc1ccc2ccccc2c1)CC1(C#N)CC1 501530158 GSXLEVTYGSHXEN-UHFFFAOYSA-N 264.372 3.965 30 20 CHED C#CCOc1cc(F)ccc1NCc1nc(C)c(C)s1 88534043 CXORLIVYYKTEHL-UHFFFAOYSA-N 290.363 3.523 30 20 CHED C[C@H](CC(=O)NCc1cc(C#N)ccc1F)c1ccccc1 80777038 LWNANNNMTZUYMN-CYBMUJFWSA-N 296.345 3.507 30 20 CHED CC(C)(CCC#N)COC(=O)c1nccc2ccccc12 195085623 CZGZBTGMISMWNN-UHFFFAOYSA-N 282.343 3.722 30 20 CHED CCc1ccc(CNc2snc(C)c2C#N)s1 225526373 UXAGGZSZYMOYDP-UHFFFAOYSA-N 263.391 3.559 30 20 CHED N#CCSc1cccc(C(=O)NCCC2=CCCC2)c1 131497742 OSXLGCVYDPILPV-UHFFFAOYSA-N 286.400 3.532 30 20 CHED C=C(Br)CNC(=O)CC[C@H](C)c1ccccc1 130605848 VCJUPNPFKPKIAT-NSHDSACASA-N 296.208 3.595 30 20 CHED C#CCN(C)CCCN[C@@H](C)c1cc2ccccc2s1 381250642 BTYNKLYUKGLAGU-AWEZNQCLSA-N 286.444 3.507 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](C)CSC)c1ccccc1 133863091 IHLDHIVLRVXRMX-DZGCQCFKSA-N 277.433 3.809 30 20 CHED CCCOc1cc(C)ccc1NC(=O)N(CC)CCC#N 80169810 HIOHWIVRSMNEBL-UHFFFAOYSA-N 289.379 3.551 30 20 CHED CO[C@@H]1CC[C@H](/N=C(/O)Nc2cccc(SC)c2C)C1 330994284 LQTYEELEGKFOKW-NWDGAFQWSA-N 294.420 3.610 30 20 CHED C=CCC[C@@H](NCCOC1CCCC1)c1ccco1 513654095 HAMJTZDGOGWUQU-OAHLLOKOSA-N 263.381 3.836 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCc2ccc(F)c(C)c21 335584299 SDEFXVSDFXMERX-UHFFFAOYSA-N 298.317 3.500 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccccc2N2CCCC2)C1 193108683 NWVJANYBFOZDQF-LSDHHAIUSA-N 269.392 3.781 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CCC1CCCCC1 330763931 RAGBWSNZJDGXOA-MRXNPFEDSA-N 264.413 3.791 30 20 CHED C=CCN(CCC#N)CCOc1cc(Cl)ccc1Cl 428850098 MPMOIWRJDWNJKQ-UHFFFAOYSA-N 299.201 3.774 30 20 CHED CCCc1ccc(OC)c(Oc2ccc(C#N)cn2)c1 428683864 UGERJOKSVAJEHP-UHFFFAOYSA-N 268.316 3.707 30 20 CHED C=C(C)COCCN[C@@H](C)c1sc(C(C)C)nc1C 90451103 URERSHRKQJYTQG-LBPRGKRZSA-N 282.453 3.818 30 20 CHED C=C(CNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21)c1ccccc1 512671191 DSEPBRIWJODZTO-SZMVWBNQSA-N 298.430 3.920 30 20 CHED CC(C)(C#N)Cc1nc(-c2ccsc2Cl)no1 335186652 PFUPCXRZHPTBCM-UHFFFAOYSA-N 267.741 3.544 30 20 CHED C=CCSCCN[C@H](C)CCc1ccc(F)cc1F 513653222 DCQZFMXOCJNNII-GFCCVEGCSA-N 285.403 3.795 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2C)cc1F 510144192 AZSHVQKILHQWEK-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED CCS[C@@H]1CCC[C@H]1NCCCC(C)(C)C#N 233840316 YBZBFNCSGWFFRC-CHWSQXEVSA-N 254.443 3.580 30 20 CHED Cc1cccc(F)c1NCc1cccc(F)c1C#N 427412853 GMBZCSGXLJXKKQ-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC(C)CC[C@@H]1CCCN1CCCC1(C#N)CCOCC1 337159497 RWAQRBLVDATIJR-KRWDZBQOSA-N 292.467 3.988 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1Cl 430765960 WKZUHEPFPGGMER-JTQLQIEISA-N 266.747 3.824 30 20 CHED C=CCCC(=O)N(CC(C)C)c1ccc(OC)cc1 338603967 PXAUZFYMLXBVNV-UHFFFAOYSA-N 261.365 3.650 30 20 CHED Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1O 334525395 AGFAMROGDHSTLU-UHFFFAOYSA-N 294.354 3.754 30 20 CHED C[C@H](C#N)CN(C)[C@@H]1CC[C@](C)(c2ccccc2)C1 437596529 YXQUSVHONXGTNS-OIISXLGYSA-N 256.393 3.588 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 91919481 HTFUUAJBCJJUEK-MRXNPFEDSA-N 285.435 3.658 30 20 CHED CC[C@H](/N=C(/O)c1c(C)[nH]c2ccc(Cl)cc12)[C@@H](C)O 331355344 QNSMOHYUWNWKHG-SKDRFNHKSA-N 294.782 3.594 30 20 CHED N#Cc1cc2c(nc1NC[C@H]1CCc3ccccc31)CCC2 347314498 OJSOYSQELGRGQH-OAHLLOKOSA-N 289.382 3.584 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2ccccn2)CC1 245568874 YGNPGSCHMMWYND-KKUMJFAQSA-N 270.376 3.720 30 20 CHED CC(C)CCC[S@@](=O)CCCCC(C)(C)C#N 435429592 YCGVMBYVSLXPNW-KRWDZBQOSA-N 257.443 3.891 30 20 CHED CC(C)(CCC#N)CNCCSCc1ccccc1 342959065 JDCPXLBPLRGIMC-UHFFFAOYSA-N 276.449 3.839 30 20 CHED C=CCNC(=O)[C@H](C)SCC1CCC(C)(C)CC1 344487732 UUEMRGHYFNZDAL-LBPRGKRZSA-N 269.454 3.627 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1c(Cl)cccc1[N+](=O)[O-] 432147509 HIANHDAJAOZBGU-YGRLFVJLSA-N 296.754 3.641 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(Cl)c(F)c1 345896720 BLQFZQBXQBFAOE-UHFFFAOYSA-N 282.746 3.539 30 20 CHED C[C@H]1CN(Cc2ccc(F)cc2C#N)CC(C)(C)C1 541327271 XPRRBYZWZNRSAM-GFCCVEGCSA-N 260.356 3.565 30 20 CHED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C#N)C2CC2)n1 601072945 YMEHCZNXVTXDQV-LLVKDONJSA-N 297.305 3.675 30 20 CHED C=CCN(C)c1nc2cc(Cl)cc(Cl)c2o1 432832932 AEGJSTIPAXKSGH-UHFFFAOYSA-N 257.120 3.757 30 20 CHED C=CC[C@H](CC)NC1CCC2(CCOCC2)CC1 343499114 HEWHIXZTHZIHCD-AWEZNQCLSA-N 251.414 3.670 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(C#N)cc1 521764284 LRSVPGNQQSDXGS-UHFFFAOYSA-N 293.370 3.921 30 20 CHED C=CCOc1ccc(CNc2c(C#N)cccc2C#N)cc1 343225910 KDINUCVOUQEGNY-UHFFFAOYSA-N 289.338 3.607 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)C1CCC(C(C)C)CC1 432541315 IQKHPBDDIAXWCC-FHERZECASA-N 281.440 3.641 30 20 CHED C=CCCS(=O)(=O)N1C[C@H](C(C)(C)C)c2ccccc21 435718336 CSXCOGJDWPGUEZ-AWEZNQCLSA-N 293.432 3.542 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCC(C)(C)CCC#N 348228000 NSTVUTAILBKXDN-MLGOLLRUSA-N 274.383 3.979 30 20 CHED N#Cc1ccc(Sc2cc(C#N)ccc2[N+](=O)[O-])c(F)c1 341374363 PAQWMDJLQUIGGJ-UHFFFAOYSA-N 299.286 3.628 30 20 CHED C[C@H](CCC#N)CN(C)Cc1ccc(Br)cc1 602432672 JHTMDMUHYHRDIQ-GFCCVEGCSA-N 295.224 3.821 30 20 CHED Cc1cc(C)c(CNc2nccc(C)c2C#N)c(C)c1 544066889 JYYCCGIRTUVRKZ-UHFFFAOYSA-N 265.360 3.799 30 20 CHED Cc1ccc(OCCCNCc2ccc(C#N)c(C)c2)cc1 443977859 FLZIWUZGIYCDBZ-UHFFFAOYSA-N 294.398 3.734 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@@H]1CCCCO1 445787953 VWRJSQZSUTUAGQ-INIZCTEOSA-N 279.424 3.541 30 20 CHED CC(=O)CCc1ccc(OCc2ccc(C#N)c(C)c2)cc1 447314525 GMRJUDCVSYPMPK-UHFFFAOYSA-N 293.366 3.967 30 20 CHED N#Cc1cccc(OCCCCC(=O)Nc2ccccc2)c1 609496101 UTQVQEZFXLTESO-UHFFFAOYSA-N 294.354 3.746 30 20 CHED O=[N+]([O-])c1ccccc1C=NNc1nc2ccccc2s1 254924583 QMMWOFZCOSPFMY-UHFFFAOYSA-N 298.327 3.651 30 20 CHED CCOc1ccc(/C=C/c2ncccc2C#N)cc1OC 352021053 MBXZQJABHZITQX-SOFGYWHQSA-N 280.327 3.531 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N[C@@H](CCCC#N)c1ccccc1 352190467 DGFCJQYZPXTDNC-BMFZPTHFSA-N 270.376 3.584 30 20 CHED C=CCCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C 609798627 VWYASEJOAJBLKP-UHFFFAOYSA-N 262.353 3.771 30 20 CHED CC(C)CC(C)(C)CNC(=O)c1ccc(CC#N)cc1 533990039 UTSKKWODCJQZIB-UHFFFAOYSA-N 272.392 3.555 30 20 CHED CC[C@H](NC[C@@H](OC)C(C)(C)C)c1ccc(C#N)cc1 447560755 FNLLHMYKVAYEJA-JKSUJKDBSA-N 274.408 3.660 30 20 CHED Cc1cc(C(=O)N(C)c2ccc(C#N)cc2F)c(C)s1 609217730 QCZBUNJGWJAMHS-UHFFFAOYSA-N 288.347 3.652 30 20 CHED N#C[C@H](Cc1ccccc1)Sc1nncc2ccccc12 600875115 NCVWKHKDOCVPDS-HNNXBMFYSA-N 291.379 3.857 30 20 CHED C=CCCC1(C(=O)N2CCCC3(CCCC3)C2)CC1 356950622 KMBMLVNAUZDOPY-UHFFFAOYSA-N 261.409 3.916 30 20 CHED CC(C)COc1ccccc1CNC[C@@H](C)CCC#N 602519209 VINKUKKLIFGGKB-HNNXBMFYSA-N 274.408 3.751 30 20 CHED CCN(C(=O)[C@@H]1CC[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 537328187 AGEYDNUIAVOVCR-JKIFEVAISA-N 284.403 3.904 30 20 CHED C=CCn1c(SC[C@H](F)CC)nnc1-c1ccccc1 440581906 ZCBADAUZFUNSML-CYBMUJFWSA-N 291.395 3.971 30 20 CHED C=CCC1(C(=O)NCCc2sc(C)nc2C)CCCC1 449850684 NREVJSMLYVZNQS-UHFFFAOYSA-N 292.448 3.555 30 20 CHED C=CC(C)(C)C(=O)NCCCCOc1ccc(Cl)cc1 448615246 VJAUOTMVYIBTCZ-UHFFFAOYSA-N 295.810 3.827 30 20 CHED C=CCCCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 352819816 XTWNIECMBVTSRS-AWEZNQCLSA-N 288.218 3.973 30 20 CHED N#C[C@@H]1CC[C@H](NCCCc2cccc(Cl)c2)C1 442849789 CPKIBCLZIQWBEK-HIFRSBDPSA-N 262.784 3.554 30 20 CHED C=CCOc1ccc(C(=O)N2CC(CC)(CC)C2)cc1 355856141 ZOJYUGKZLQQAPZ-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(C)c(C)c1 456941995 BEFGNGLAGNLADL-UHFFFAOYSA-N 259.393 3.864 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@@H](C)c1ccccc1 538265066 RBLGNPYVXITFJI-INIZCTEOSA-N 289.419 3.969 30 20 CHED C=CCC1(NC(=O)CCc2ccc(F)cc2F)CCCC1 619108610 YTWZUBMWFDDAFP-UHFFFAOYSA-N 293.357 3.903 30 20 CHED CCc1cccc2c1OCC[C@@H]2NCc1ccc(C#N)cc1 264235949 DBKUPRCRDOXLOC-SFHVURJKSA-N 292.382 3.734 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](CO)c1ccc(F)cc1 449145985 AWHLZYDDWWWUJL-CJNGLKHVSA-N 265.372 3.584 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1Cc1ccccc1 268191387 KTWCEAIXDQOBMN-IAGOWNOFSA-N 269.388 3.502 30 20 CHED CC1(C)CN(Cc2cccc(OCCCC#N)c2)[C@H]1C1CC1 356272556 DHNPVBGWDGBFOP-SFHVURJKSA-N 298.430 3.990 30 20 CHED CCC(C)(C)CNC1CCN(c2ccc(C#N)cc2)CC1 266186348 HFDNRSAERCCASI-UHFFFAOYSA-N 285.435 3.553 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1(c2cccc(F)c2)CC1 539473722 NUGRTQVBFSXJDW-ZDUSSCGKSA-N 290.382 3.859 30 20 CHED Clc1cc(CON=C2CCC2)c2ncccc2c1 265378501 BXLADNIGWIPEPL-UHFFFAOYSA-N 260.724 3.945 30 20 CHED N#Cc1ccc(NCc2ccc(C#N)c(Cl)c2)c(F)c1 619746757 MXOIHJKVWQFYGG-UHFFFAOYSA-N 285.709 3.835 30 20 CHED CCCOc1ccc(CN(CCC#N)C(C)C)cc1OC 535793920 AFHAZDHARQCHJA-UHFFFAOYSA-N 290.407 3.608 30 20 CHED Cc1ccc(-c2ccc(CNCC(C)(C)C#N)o2)cc1 612584816 AVCQIJYRBXWXCQ-UHFFFAOYSA-N 268.360 3.894 30 20 CHED C=CCC1(NC(=O)CCCc2csc(C)n2)CCCC1 619108440 WGNWSZDNNFOJHU-UHFFFAOYSA-N 292.448 3.779 30 20 CHED CN(C(=O)CCc1cccc(Cl)c1)c1ccc(C#N)cc1 533512438 NELRETYGBSSWOM-UHFFFAOYSA-N 298.773 3.807 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1Cl 618784789 VBSVUABMHXKXAT-INIZCTEOSA-N 296.757 3.629 30 20 CHED C[C@H](CC1CCC1)NC1(c2cccc(C#N)c2)CC1 611476010 XMIKKZPDXJBUJH-CYBMUJFWSA-N 254.377 3.716 30 20 CHED CC1(CNC(=O)N2CCC[C@](C)(C#N)C2)CCCCCC1 612151281 MXWUUWTYZWGJIM-QGZVFWFLSA-N 291.439 3.682 30 20 CHED CC[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(C#N)cc1 365204997 RDVATSRBUIHAFF-WNRNVDISSA-N 298.430 3.803 30 20 CHED Cc1cccc(NC(=O)C[C@@H](C)Nc2cccc(C#N)c2)c1 543056907 DTIJKOZTIUNQMQ-CQSZACIVSA-N 293.370 3.696 30 20 CHED CSc1ccc(NC(=O)CC(C)(C)C#N)cc1Cl 279101249 XGYYGRSQVWNQAV-UHFFFAOYSA-N 282.796 3.940 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](C)c1sc(C(C)C)nc1C 270350986 PUYWPUKTAIORRL-KGLIPLIRSA-N 296.480 3.895 30 20 CHED C[C@H](CC(=O)N1CCc2ccc(C#N)cc21)c1ccccc1 270241411 NWFOHHFFDNTNAK-CQSZACIVSA-N 290.366 3.641 30 20 CHED C=C(C)CCNC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 455321731 JMEZUDYAQQXYEE-OAHLLOKOSA-N 294.345 3.608 30 20 CHED CCc1cnccc1[C@@H](C)NCc1cc(C#N)ccc1F 361129521 DVXQISNIYKUIKQ-GFCCVEGCSA-N 283.350 3.506 30 20 CHED COc1ccc(C#N)cc1NC(=O)C(C)(C)C1CCCC1 270345153 MOEZTOBMWGUJPG-UHFFFAOYSA-N 286.375 3.722 30 20 CHED C=CCC1(C(=O)Nc2cnc(C(C)C)nc2)CCCC1 451363221 ACQHOLCKCBGHHC-UHFFFAOYSA-N 273.380 3.675 30 20 CHED C=CCC1(c2nc(-c3cncc(C)c3)no2)CCCC1 453065318 UALYFNDETPPJAD-UHFFFAOYSA-N 269.348 3.828 30 20 CHED CC1(C)C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CCO1 360664950 SVYVIFOORHDERQ-FUHWJXTLSA-N 298.430 3.873 30 20 CHED Cn1cc(CN2CCCC[C@H]2c2ccc(F)cc2)cc1C#N 361571643 NLVPUIKGIRZNQH-SFHVURJKSA-N 297.377 3.763 30 20 CHED CC(C)(C#N)CC(=O)NCc1ccc(C2CCC2)cc1 278766729 KPPIQIYUANXLEX-UHFFFAOYSA-N 270.376 3.510 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)CCc1cccc(F)c1 452772582 GBULLURQKXGAES-ZDUSSCGKSA-N 277.383 3.723 30 20 CHED C=CCCCCNC(=O)c1cccc(C(F)F)c1 274452675 HUNYHDBZAQZFAQ-UHFFFAOYSA-N 253.292 3.710 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccsc1)C(C)(C)C 622944579 YFCYEKVMIGGIKF-LLVKDONJSA-N 251.395 3.665 30 20 CHED C=CCC[C@@H](CCC)NCC[C@@H]1C[C@H]2CC[C@H]1O2 459665995 LAPSVUYWCTWTFS-KLHDSHLOSA-N 251.414 3.669 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1ccccc1OC(F)F 454235967 ZVBINASOBBEBFS-NSHDSACASA-N 298.333 3.614 30 20 CHED C=CCN(C(=O)Nc1ccccc1N1CCCCC1)C1CC1 271322189 CFPMNYYNXRKNII-UHFFFAOYSA-N 299.418 3.859 30 20 CHED Cc1cccc(O[C@H](C)CNc2ccc(C#N)cc2F)c1 462909763 GRTBYEOZEAYZCC-CYBMUJFWSA-N 284.334 3.885 30 20 CHED C=CCCCN1CC[C@@H](c2c(F)cccc2F)C1 469453383 YHZGUVDCJJQPME-GFCCVEGCSA-N 251.320 3.720 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C 467065890 RUBKYMZMHJYLHZ-BBRMVZONSA-N 292.398 3.657 30 20 CHED CC(C)c1ccc([C@H]2CCCN2C(=O)NCCCC#N)cc1 542250336 AFWUYUYHOXXQAU-QGZVFWFLSA-N 299.418 3.960 30 20 CHED C=CCN(C(=O)c1ccnc(O[C@@H](C)CC)c1)C(C)(C)C 622944673 ALSWGBMEXOTAGU-ZDUSSCGKSA-N 290.407 3.686 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 543632353 OBNADCMJYKDZLB-WOSRLPQWSA-N 265.372 3.846 30 20 CHED N#CC1(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)CCCC1 377228034 YVTVUUURHLUKQZ-KRWDZBQOSA-N 296.414 3.552 30 20 CHED C=CCCC1(c2nc(-c3c4ccccc4nn3C)no2)CC1 554827591 IFGNCKQIXOTIKG-UHFFFAOYSA-N 294.358 3.621 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)C1 464158504 JWTPDRFUXVAWLN-WWGRRREGSA-N 264.413 3.647 30 20 CHED C=CCN1CC[C@@H](Sc2ccc(C(C)C)cc2)C1=O 554299568 FSAFOXUSJYEZDI-OAHLLOKOSA-N 275.417 3.689 30 20 CHED C=CC[C@H](CC)NC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 466377834 WNLJODCQADOZBX-RDBSUJKOSA-N 266.429 3.950 30 20 CHED N#Cc1cccc(CCNC/C=C\c2ccc(F)cc2)c1 466425204 LBRXHGMUGRWRNY-DJWKRKHSSA-N 280.346 3.543 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 465228267 WVNWYJGJLOKMAY-DTWKUNHWSA-N 287.190 3.928 30 20 CHED C=CCCN(C)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C 466970978 KIKWARXJZWHCDR-INIZCTEOSA-N 292.398 3.610 30 20 CHED C[C@@H]1CN(C(=O)[C@@H](C)c2cccc(C#N)c2)c2ccccc21 461907766 JPMPVFVAFBXXHB-KGLIPLIRSA-N 290.366 3.812 30 20 CHED N#CCC[C@@H](C#N)CNCc1ccc(OC2CCCC2)cc1 550999546 KVTMQJPVGYANJT-INIZCTEOSA-N 297.402 3.541 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H]1CCC[C@@H]1C 469815776 JCBZBWGTJGEQJV-LSDHHAIUSA-N 275.392 3.663 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccc2ccn(C)c(=O)c2c1 551570503 FPGFHSUSDSTDJP-OLZOCXBDSA-N 270.376 3.551 30 20 CHED CC(C)C[C@H](NCc1ccc(C#N)cn1)c1ccccc1 554068063 SYOBTHKFLRWWMT-SFHVURJKSA-N 279.387 3.830 30 20 CHED CCCC[C@@H](C)N(C)C(=O)[C@H](C)c1cccc(C#N)c1 462459358 NDCVFSHVPBCUMX-ZIAGYGMSSA-N 272.392 3.699 30 20 CHED C=CC[C@@H](C)NC(=O)c1c(C)ccc(Br)c1C 559882489 YOAIMNBMLVTKMC-SNVBAGLBSA-N 296.208 3.760 30 20 CHED CC[C@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)C(C)C 464157462 IVJOPJIRHCKWJX-DOMZBBRYSA-N 252.402 3.503 30 20 CHED CCSCCSc1nc(Cl)c(C#N)s1 286722495 FDRPCLLWZZIDJD-UHFFFAOYSA-N 264.828 3.513 30 20 CHED C=CC(C)(C)CNC(=O)CCCc1c[nH]c2ccccc12 384919646 GDTSYWNXIMIDQI-UHFFFAOYSA-N 284.403 3.819 30 20 CHED C=C(CNC(=O)Nc1ccc2c(c1)COC2)c1ccccc1 478604920 QPHQELFHWSXHNR-UHFFFAOYSA-N 294.354 3.552 30 20 CHED C=C(Br)CN1CCC(C2CCCC2)CC1 708776659 BIMMBLNWSXJJHI-UHFFFAOYSA-N 272.230 3.797 30 20 CHED C#Cc1cncc(C(=O)N[C@@H](CCC=C)c2ccccc2)c1 807112703 BLQIXVWTPJUPRX-SFHVURJKSA-N 290.366 3.500 30 20 CHED C=C(C)CNC(=S)N1CCC(C)(C)c2ccccc21 809164880 KKTCJBYPULGMKL-UHFFFAOYSA-N 274.433 3.625 30 20 CHED C#C[C@H](NCc1cnc(-c2cccs2)s1)C(C)C 809685664 JCGGHTFVSYGTOX-LBPRGKRZSA-N 276.430 3.619 30 20 CHED C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 297932084 YPGSSSNQUFKRGE-SUMWQHHRSA-N 269.344 3.765 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H](c2ccncc2)C1 295945353 LLUUVDFADNNLEH-QGZVFWFLSA-N 285.435 3.981 30 20 CHED C[C@@H](C#N)OCCNC(C)(C)c1ccc(C(C)(C)C)cc1 801938083 YIWGBXQOWMSVTB-AWEZNQCLSA-N 288.435 3.737 30 20 CHED CSCc1cnc(CN2CCCC(C)(C)[C@@H]2C#N)s1 294674966 MKFMXYWSMRVNTK-LBPRGKRZSA-N 295.477 3.520 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCCc1ccc(F)cc1Cl 569750328 BKUSKBOMSPFKRX-CZUORRHYSA-N 297.801 3.592 30 20 CHED CSc1ccc2c(c1)[C@@H](NCCCC#N)CCC2 564972669 MTXCZYZGIIOKLI-HNNXBMFYSA-N 260.406 3.679 30 20 CHED C=CCC1(C(=O)Nc2cc(OC)c(C)cc2C)CCC1 478557616 ZUNSNOZIXOBCKF-UHFFFAOYSA-N 273.376 3.997 30 20 CHED N#CCCCCCC(=O)OCC#Cc1ccc(Cl)cc1 805698062 QFJYKRAEZURWHI-UHFFFAOYSA-N 289.762 3.709 30 20 CHED C=C[C@](C)(CC)c1nc(CCCSCC)no1 568799446 PZJDTSAXBBGXJK-CYBMUJFWSA-N 254.399 3.609 30 20 CHED C=CCCCCCCNC(=O)N(C)Cc1ccccc1 805104261 ODVQTMLBOAPJQL-UHFFFAOYSA-N 274.408 3.965 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC[C@@H](F)C1)c1ccccc1 563235723 JQPJWOQRLPAWIL-HZPDHXFCSA-N 290.382 3.837 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(C2CC2)cc1 564880829 DDLRVIOXQPTYEV-GDZNZVCISA-N 297.402 3.616 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C2CC2)ccn1 291301649 UEBIIWAQBOETEM-UHFFFAOYSA-N 256.349 3.666 30 20 CHED C#C[C@@H](NC(=O)C1(Cc2ccccc2)CCC1)C(C)(C)C 807880798 RXAVTNVKKHYEBK-MRXNPFEDSA-N 283.415 3.564 30 20 CHED CCCCCCCC(=O)NCc1nc2ccccc2o1 816667277 IQVSPPQOLUAEPF-UHFFFAOYSA-N 274.364 3.805 30 20 CHED N#Cc1c(F)cccc1CSCCC(F)(F)F 488258234 SEDNSHAULVBCQJ-UHFFFAOYSA-N 263.259 3.883 30 20 CHED C=CCC(=NOCCOC(C)C)c1ccc(F)cc1 812240890 VTUNCTYPYGZPLG-UHFFFAOYSA-N 265.328 3.548 30 20 CHED C=CCOCCNC(C)(C)c1ccc(C(C)C)cc1 645094662 LZYKAPJIGMXONK-UHFFFAOYSA-N 261.409 3.837 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1ccc(F)cc1 814419969 GBDOPEIKZOBZKM-ZDUSSCGKSA-N 277.383 3.723 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)n(C(CC)CC)n1 488824965 AATSUHFDFMRJTF-OAHLLOKOSA-N 289.423 3.733 30 20 CHED CC(=NNc1cccc(F)c1F)c1csc(C(=O)O)c1 814858812 DRKXAJVWIQAZSW-UHFFFAOYSA-N 296.298 3.561 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#N)s1 487560021 MMQCXDIYKAWWHM-AAEUAGOBSA-N 276.405 3.661 30 20 CHED C[C@H]1C(=NNc2cccc(Cl)c2F)CC[C@@H]1CC(=O)O 814818711 FVVWFWIQQPUBTK-RKDXNWHRSA-N 298.745 3.768 30 20 CHED C=CCC(F)(F)C(=O)NCC1(c2ccc(Cl)cc2)CC1 815317341 BZPJYNNKRLWVIK-UHFFFAOYSA-N 299.748 3.699 30 20 CHED C=C(C)CS(=O)(=O)Oc1ccc(C2CC2)cc1Cl 814404172 KDPRJOATBOLNQK-UHFFFAOYSA-N 286.780 3.502 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)c1ccc(F)c(F)c1 488876455 FYIQDQVIKFUULI-WCQYABFASA-N 279.330 3.635 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC=C(c2ccncc2)C1 576496825 AZHTYXFMDLBIHL-OAHLLOKOSA-N 299.418 3.625 30 20 CHED C=CCCCC(=O)O[C@H]1CCOc2cccc(C)c21 814032757 QQQACOSZLHQCHT-AWEZNQCLSA-N 260.333 3.718 30 20 CHED Fc1cc(F)cc(C2CC(=NN[C@@H]3C[C@H]4CC[C@H]3C4)C2)c1 814893288 KUNCFUWZBQKHRQ-CGOLIXEISA-N 290.357 3.976 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)c(F)c1 811694385 SAQMUWDCRLTHRT-FNORWQNLSA-N 294.260 3.604 30 20 CHED CC(=NNc1c(C)cccc1F)c1cc(F)c(N)c(F)c1 814905028 KWVUJPZXCVKFNO-UHFFFAOYSA-N 293.292 3.831 30 20 CHED C=CC[C@@H](C(=O)NC1(C(F)(F)F)CC1)c1ccccc1 655093884 TVBFLDOYVNPVDO-GFCCVEGCSA-N 283.293 3.557 30 20 CHED C=CC1CCN(CCc2nsc3ccccc23)CC1 659917092 PZSLAPVBCARSON-UHFFFAOYSA-N 272.417 3.737 30 20 CHED Cn1cccc1C=NN=C1c2ccccc2-c2ccccc21 725796791 CTCCAJXUVAIRCJ-UHFFFAOYSA-N 285.350 3.877 30 20 CHED N#CC1(CC(=O)N2CC[C@H]2Cc2ccccc2)CCCCC1 829552575 AQCREZMVUMVUOG-KRWDZBQOSA-N 296.414 3.694 30 20 CHED CC(C)(C)SCC/N=C/c1cc(Cl)ccc1O 727265312 OSJJNQQRLGFCCY-OQLLNIDSSA-N 271.813 3.996 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1 579383991 UOXOGATVHQEZIJ-GFCCVEGCSA-N 297.358 3.935 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(F)c(Cl)c1F 490015769 VCAZMNIWBYWPDR-UHFFFAOYSA-N 287.737 3.950 30 20 CHED C=CCC1(NCCc2cccc(Cl)c2)CCOCC1 668550771 FWGYADWPKNSMQK-UHFFFAOYSA-N 279.811 3.597 30 20 CHED CC(C)(C#N)CCCSCc1cccc(C(=O)O)c1 826071250 KJWMBOIYISYKJU-UHFFFAOYSA-N 277.389 3.948 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(Cc2cc(C)cc(C)c2)no1 903640394 MXVNSSJQYNNZFL-RDJZCZTQSA-N 298.386 3.726 30 20 CHED N#CC1(CSc2nnc(-c3ccccc3)s2)CCC1 829158602 BWZOHTGQGYHSOV-UHFFFAOYSA-N 287.413 3.991 30 20 CHED CC[C@H](NC[C@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1 902792799 DKIKGEQTLBJICX-MJGOQNOKSA-N 299.462 3.719 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc3scnc3c2)C1 905936243 VAJHKXDEHYSPFJ-JQWIXIFHSA-N 286.356 3.535 30 20 CHED CC(C)c1ccc(C[C@H](C)NC(=O)c2ccc(C#N)o2)cc1 495265128 OAERPWLSRIDKED-ZDUSSCGKSA-N 296.370 3.636 30 20 CHED N#CC1(CC(=O)Nc2cccnc2Cl)CCCCC1 820451612 HFAYDPJXCHKCLU-UHFFFAOYSA-N 277.755 3.538 30 20 CHED C#C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(Cl)cc1 491278243 SDUYQPAEBPPWQD-QGZVFWFLSA-N 298.748 3.815 30 20 CHED C#CCN(Cc1cncn1C(C)C)[C@H]1CCc2ccccc21 491628310 LYJHHXWVYGNSBR-IBGZPJMESA-N 293.414 3.587 30 20 CHED C=CCN(Cc1ccc(Cl)s1)CC1(CC(=O)O)CC1 581671952 OKWJLVANPBEXFG-UHFFFAOYSA-N 299.823 3.644 30 20 CHED COc1cccc(O)c1/C=N\[C@H](Cc1ccccc1)C1CC1 736431227 YYWNWNKLZQHION-VJOZSWGJSA-N 295.382 3.841 30 20 CHED CCCCCCCN[C@@H]1CCC[C@H](C(F)(F)C(=O)O)C1 902060179 CKILKHCXEVMLEY-QWHCGFSZSA-N 291.382 3.825 30 20 CHED CCCOc1cncc(-c2csc(CC#N)c2)c1 904800757 XQFYZTRDXUVOSK-UHFFFAOYSA-N 258.346 3.665 30 20 CHED C=CCN(C)C(=O)CCOc1cc(C)ccc1C(C)C 491045606 FWUFMCNTPFWXHW-UHFFFAOYSA-N 275.392 3.532 30 20 CHED C=CCC1(C(=O)OCc2ccc(C#N)cc2)CCCC1 835144649 HGTOMYXNIXYRQT-UHFFFAOYSA-N 269.344 3.738 30 20 CHED Cc1nocc1CNc1ccccc1SCCC#N 581440084 UHGHKBVZKOXWIW-UHFFFAOYSA-N 273.361 3.601 30 20 CHED C[C@@H]1CC=C(C(=O)[C@H](C#N)c2cnc3ccccc3n2)CC1 835349400 VBWAPGKEVAJHRQ-TZMCWYRMSA-N 291.354 3.552 30 20 CHED C#CCOc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 733325050 UKOZMNAIMRXWEX-KBXCAEBGSA-N 295.382 3.705 30 20 CHED Cc1cc(Oc2cc(C)c(C#N)c(C)c2C)ncc1[N+](=O)[O-] 582377738 XLNXMTMRCBSSLI-UHFFFAOYSA-N 297.314 3.887 30 20 CHED CC1(C)OCC[C@@H]1NN=Cc1ccccc1-c1ccccc1 835013992 LUUJDCIIKKPWKZ-SFHVURJKSA-N 294.398 3.845 30 20 CHED CC1(C)OCC[C@H]1NN=C1CCCC12CCCCC2 835019959 CMOUZGSWCNKWHU-CYBMUJFWSA-N 264.413 3.634 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(F)(F)CC=C 839891972 SKCXPPHDRMNASE-CQSZACIVSA-N 279.330 3.501 30 20 CHED C=CCCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 588016655 ZIAFGKHJTRDLHD-UHFFFAOYSA-N 259.393 3.909 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccccc1OC(F)(F)F 675933413 DNRWFCBQFOEVLE-NXEZZACHSA-N 259.271 3.810 30 20 CHED CCc1nn(C)c(Cl)c1C=NNc1cccc(Cl)c1 734744170 CYMMPKNNVURJFO-UHFFFAOYSA-N 297.189 3.735 30 20 CHED CC(=NNC(=S)N(C)C)c1cccc(-c2ccccc2)c1 731558331 SCYBMRCBJBGUFI-UHFFFAOYSA-N 297.427 3.514 30 20 CHED C=CC[C@H](NC(=O)CCc1cccc(C)c1)c1ccncc1 734235616 KQYQQGVOHRZXCA-SFHVURJKSA-N 294.398 3.756 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCc2ccc(Cl)cc2)C1 839046703 QOHBGTKKCHCQDF-DZGCQCFKSA-N 291.778 3.898 30 20 CHED Oc1ccccc1/C=N/Cc1cc2c(s1)CCCC2 915981826 XJWHHSFJKLOWRL-LICLKQGHSA-N 271.385 3.952 30 20 CHED CC[C@@H](CC#N)NC(=O)CCC1CCCCCC1 594339736 AKAKRRGWSAVIKG-AWEZNQCLSA-N 250.386 3.545 30 20 CHED N#CC[C@H]1CCCN(c2ncc(Cl)cc2Cl)C1 596322997 XBVQAEDQGLUZTI-SECBINFHSA-N 270.163 3.518 30 20 CHED CCOc1cc(N[C@@H](CCC#N)c2ccccc2)nc(C)n1 596171382 LXHPSZVCYYDYJE-HNNXBMFYSA-N 296.374 3.641 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1CC(C)C1 598656935 GDLPRSGSFHHLTB-UHFFFAOYSA-N 299.418 3.526 30 20 CHED C=C(CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 672482958 LBGYOTHEQOLDRQ-UHFFFAOYSA-N 291.394 3.547 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C/C1CCCC1 843562765 FFLVYESBCVLTLZ-MDZDMXLPSA-N 262.397 3.712 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCC(=O)c1cccc(C#N)c1 748289258 RVVLGKUCGSVULR-ZDUSSCGKSA-N 299.370 3.501 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(C)[nH]c2C)cc1 594029277 JHKVOCPOJHIODP-QGZVFWFLSA-N 295.386 3.531 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)c1cc(F)cc(F)c1 843268331 HUQLTQLGNFBRAY-ARJAWSKDSA-N 290.313 3.713 30 20 CHED C=CCCCC(=O)OCCOC1CCCCCC1 748240287 PBOKQPMQQARCRL-UHFFFAOYSA-N 254.370 3.625 30 20 CHED CC/C(=C/C(=O)N(CCC#N)C(C)C)c1ccc(C)cc1 741680838 KEKRXEUUJPLVFS-SSZFMOIBSA-N 284.403 3.939 30 20 CHED C#CCN(Cc1ccc(Cl)nc1)[C@H]1CCc2ccccc21 744388825 WHROPCVSMQLSGJ-KRWDZBQOSA-N 296.801 3.858 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1nc(C)cc(C)c1C#N 598856926 JRISMZNJVDXKDU-AWEZNQCLSA-N 287.407 3.971 30 20 CHED C=C(C)COC(=O)c1sc(Cc2ccccc2)nc1C 915250626 YNDPGSCUCSMAFW-UHFFFAOYSA-N 287.384 3.775 30 20 CHED Fc1ccc(CNN=Cc2c(F)cccc2Cl)cc1F 915974159 FFELAEGDQWRPAN-UHFFFAOYSA-N 298.695 3.881 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCc2ccc(F)cc21 748269429 NXXJMBRRSWYWBL-SFHVURJKSA-N 295.357 3.615 30 20 CHED C=CCN(C(=O)c1oc(-c2ccccc2)nc1C)C(C)C 746218931 NSKYIEUPGJZDSS-UHFFFAOYSA-N 284.359 3.687 30 20 CHED N#Cc1ccc(CN[C@H]2CCCC23CCCC3)c(F)c1 590242336 QBGAZNCJLXGZFX-INIZCTEOSA-N 272.367 3.900 30 20 CHED Cc1cc(C)c(NN=Cc2ccc(C#N)o2)c(C)c1 743445339 QHCNAODBBUABDH-UHFFFAOYSA-N 253.305 3.523 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN([C@H]1CC[C@@H](C#N)C1)CC3 590166000 LIFGWPPBSBLVAB-KGLIPLIRSA-N 279.387 3.527 30 20 CHED C#CC[C@H](NC(=O)N(CCC)C(C)C)c1ccccc1 847343006 PILMYLROVNNAQW-INIZCTEOSA-N 272.392 3.581 30 20 CHED COc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)c(C)c1 849248911 ADTIIRCATMMXOM-YVMONPNESA-N 296.370 3.506 30 20 CHED CCOc1cccc(/C=N\Cc2cccc(C)c2)c1O 912787314 FQSPDOMRTLEXND-PDGQHHTCSA-N 269.344 3.718 30 20 CHED C#CCCCC(=O)N(C)c1ccc(-c2nccs2)cc1 841261822 KYETVYDWVGDOLB-UHFFFAOYSA-N 284.384 3.576 30 20 CHED C=CCCOC(=O)c1cc(Cl)ccc1OC(F)F 748917433 LLYGTDWXWKIYDI-UHFFFAOYSA-N 276.666 3.674 30 20 CHED C=C(C)CN(C)Cc1cc(Br)cnc1Cl 843404904 IORZGVZOPJLTRI-UHFFFAOYSA-N 289.604 3.505 30 20 CHED Cc1ccc2occ(CC(=O)NCC(C)(C)CCC#N)c2c1 599942637 WDRQVDBXUFDUKX-UHFFFAOYSA-N 298.386 3.730 30 20 CHED C=C(C)CCNC(=S)Nc1ccc(Cl)cc1 840792316 KEBVUFJALLNELD-UHFFFAOYSA-N 254.786 3.593 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc3ccccc3c2)s1 749309647 WLHKSOYAHXIVLL-UHFFFAOYSA-N 279.320 3.992 30 20 CHED CC(C)CN(CCC#N)CCOC1CCCCCC1 740878771 XJMWPRPRMZRNSR-UHFFFAOYSA-N 266.429 3.597 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 921561489 HYVOACDMANVGFX-DOTOQJQBSA-N 297.402 3.639 30 20 CHED C[C@H](NN=Cc1cc2ccccc2nc1O)c1ccccc1 920382605 JKXMNTKYIJWYDW-ZDUSSCGKSA-N 291.354 3.625 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H](O)c1ccc2ccccc2c1 925012821 JDWYLWLIJGJNBR-KSSFIOAISA-N 296.414 3.791 30 20 CHED C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@H](CC#N)C1 855256426 MCCMXNYDGHBEOS-OKACTXMXSA-N 282.387 3.551 30 20 CHED COc1cccc(CN(C)CCCCC2(C#N)CCC2)c1 929207072 MHVDLEYZVOULDI-UHFFFAOYSA-N 286.419 3.991 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 754390713 ZPBHFUGWSLXOJD-KGYLQXTDSA-N 296.197 3.625 30 20 CHED Fc1ccc(C(C[C@@H]2CCOC2)=NOCC2CCC2)cc1 853440445 DBCGJRBETZZKMI-AWEZNQCLSA-N 291.366 3.773 30 20 CHED Cc1cc(O)c(CN(C2CC2)[C@@H](C)C#N)cc1C(C)C 853549015 XRZDFRJEXZFPCC-ZDUSSCGKSA-N 272.392 3.701 30 20 CHED C=CCNC(=S)N[C@H](c1ccc(F)cc1F)C(C)(C)C 758436488 ABQXLPCAXKPVKS-CYBMUJFWSA-N 298.402 3.702 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1O 757460281 BNVKMFMOKWTMBD-JTQLQIEISA-N 290.313 3.745 30 20 CHED CC[C@@H](N[C@H](C)CC(C)(C)C#N)c1nc(C)cs1 924971402 AEXLXXOETQOUCV-ZYHUDNBSSA-N 265.426 3.821 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1cc(F)ccc1F 757474240 KZRSLXIVOQGZIR-KTAJNNJTSA-N 286.277 3.796 30 20 CHED C#Cc1ccc(C(=O)N(CC2CCC2)c2ccccc2)nc1 752487635 HYWQKPDAZPOLCH-UHFFFAOYSA-N 290.366 3.510 30 20 CHED CCCOc1ccc(C=NNCCC(F)(F)F)c(C)c1 853340953 FIXRNOFWGQBLND-UHFFFAOYSA-N 288.313 3.660 30 20 CHED C=C(C)[C@@H](CC(=O)OCCCc1ccccc1)OCC 756476223 HMQQRQSGPQZMLZ-MRXNPFEDSA-N 276.376 3.534 30 20 CHED C#CCSCCN[C@H](C)c1cc2ccc(C)cc2o1 756041960 NWILVTGKCLZXFV-CYBMUJFWSA-N 273.401 3.758 30 20 CHED Cc1cc(C=NO[C@@H]2CCCCO2)ccc1Br 755816553 GVVVXQKNFIDEDT-CYBMUJFWSA-N 298.180 3.635 30 20 CHED CC1(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)CCC1 750681890 RIHDCNHWPDESCM-ZDUSSCGKSA-N 264.328 3.601 30 20 CHED C=CCCONC(=O)c1cccc(N[C@H](C)C(C)C)c1C 856032280 JLPZOTBOFOSNQG-CQSZACIVSA-N 290.407 3.689 30 20 CHED Fc1cccc(C=NOCc2csc(C3CC3)n2)c1 758404903 HSQWBWCEBVBGOP-UHFFFAOYSA-N 276.336 3.710 30 20 CHED Cc1nc(C#N)cc(NCc2c(Cl)cccc2Cl)n1 696876442 CWBLBNGUFSSOKH-UHFFFAOYSA-N 293.157 3.576 30 20 CHED CC(C[C@H]1CCOC1)=NNc1cccc(Br)c1 751519667 AKRJEKMFGDAWHX-LLVKDONJSA-N 297.196 3.664 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H]1[C@H]1CCCOC1 858114932 XNMOWRJDAXAKSD-JKSUJKDBSA-N 296.455 3.557 30 20 CHED CC[C@@H](COc1cccc(OCC#N)c1)CC(F)F 853720588 DHKFUHOBGCGFDG-LLVKDONJSA-N 269.291 3.649 30 20 CHED C=CCCCOC(=O)C[C@H](C)c1cccc(OC)c1 753409360 OORYFJZPUWGLSO-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED C=CCCC(=O)COC(=O)c1oc2c(F)cccc2c1C 761363850 CYIDWDWPJJREFM-UHFFFAOYSA-N 290.290 3.572 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@](C)(O)c1cccc(Cl)c1 765676758 AALLBUIPGJOZFF-HEHGZKQESA-N 281.827 3.738 30 20 CHED CC(C)[C@H]1CCN1c1cc(Br)c(C#N)cc1F 1458377700 GDUCYRLOLLAYIZ-GFCCVEGCSA-N 297.171 3.695 30 20 CHED C#CCOc1ccccc1CNc1ccn(CCC(C)C)n1 765257046 GUQVWRBVJXKILH-UHFFFAOYSA-N 297.402 3.553 30 20 CHED CCCCCCCCC(=O)N1CCO[C@@H](CCC)C1 760096520 LBOWYQDWHZCQOD-HNNXBMFYSA-N 269.429 3.765 30 20 CHED C=C1CN(C(=O)Nc2cc(Cl)ccc2SCC)C1 930228196 MICORGSYUOAYSL-UHFFFAOYSA-N 282.796 3.856 30 20 CHED N#CC1(OC(=O)c2cc3ccccc3s2)CCC1 762105373 HPEQSCBIPHGKEY-UHFFFAOYSA-N 257.314 3.504 30 20 CHED CC(C)c1ccc(C=NOCCCCCCO)cc1 762459197 SDRZWKTWFDNNOR-UHFFFAOYSA-N 263.381 3.713 30 20 CHED CCCCCCCNC(=O)c1c(F)cc(F)cc1F 862358845 XOFDWFAWIPTKKL-UHFFFAOYSA-N 273.298 3.804 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc(C(=O)O)cc1 765992725 NPYJRJSCQGIRDH-SNVBAGLBSA-N 260.337 3.609 30 20 CHED CCCCCCCc1nc(-c2ccc(N(C)C)nc2)no1 761678953 JRRDVPHTITYZDD-UHFFFAOYSA-N 288.395 3.711 30 20 CHED CSc1ccc(/C=C\C(=O)O[C@@H](C#N)C(C)C)s1 860519190 XJZMEQJJIMIEKI-QZPNVGJNSA-N 281.402 3.575 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc(C(F)F)cc1 933097359 SXGMKIWOLWCGTM-UHFFFAOYSA-N 281.306 3.686 30 20 CHED C#C[C@H](C)N(C)C(=O)C1(Sc2ccccc2)CCCC1 767231535 GWLQGDSDEQTOGT-AWEZNQCLSA-N 287.428 3.572 30 20 CHED CCCc1cccc(/C=C\C(=O)c2cc(C(=O)OC)co2)c1 766501838 JJMWICDLELMSPJ-HJWRWDBZSA-N 298.338 3.915 30 20 CHED N#Cc1ccc2[nH]cc(C=NOCc3ccccc3)c2c1 760239793 QAOJKUUAHGYOCH-UHFFFAOYSA-N 275.311 3.590 30 20 CHED Cc1ccc(NN=C2C[C@H](c3ccccc3)C2(C)C)nn1 768486122 XSIPSKWXDWWOQT-CQSZACIVSA-N 280.375 3.767 30 20 CHED CCCCCCCC(=O)N(C)[C@@H](CCO)c1ccccc1 768919380 QRJDKAQVKIKAHX-KRWDZBQOSA-N 291.435 3.929 30 20 CHED Cc1cc(CNc2ccccc2O[C@H](C)C#N)ccc1C#N 767685369 SSFPRIGKVXUVOA-CQSZACIVSA-N 291.354 3.770 30 20 CHED N#CCN(Cc1nccc2ccccc12)C1CCCC1 769466296 JVFRNWIFCIQKKO-UHFFFAOYSA-N 265.360 3.503 30 20 CHED CCC[C@@H](C=NNc1ncc(F)cn1)c1ccccc1 769589905 OZGKTGCTLLMMOR-ZDUSSCGKSA-N 272.327 3.597 30 20 CHED CC(CCc1ccsc1)=NNCc1ccc(C#N)cc1 764908754 NTZXQFPIHJZXNT-UHFFFAOYSA-N 283.400 3.718 30 20 CHED CCCCCCCCC(=O)Nc1cnn(C(F)F)c1 767889771 KDWVGABXAAXALY-UHFFFAOYSA-N 273.327 3.967 30 20 CHED C#CCCCN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 766902385 HXPAIZRZGLHBKF-MSOLQXFVSA-N 255.405 3.976 30 20 CHED CCC[C@@H](C)CC(=O)OCc1ccc(CC#N)cc1 776112719 KYZMZZHBMRBURK-CYBMUJFWSA-N 259.349 3.622 30 20 CHED CC(C)(C)c1cc(N2CCC[C@](C)(C#N)C2)nc(Cl)n1 872506994 ANNXQBXSMQVQES-OAHLLOKOSA-N 292.814 3.558 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1nc(Cl)cs1 877598543 HHZKMOQYMTXAQO-JTQLQIEISA-N 291.807 3.861 30 20 CHED CCCCCCCC(=O)OCc1cnoc1C1CC1 773498857 YNLIUXXGXXOBMZ-UHFFFAOYSA-N 265.353 3.956 30 20 CHED C=CCC[C@H](Nc1ccc(OCCOC)cc1)C1CC1 776842237 VSXUMTQYXJILMH-KRWDZBQOSA-N 275.392 3.869 30 20 CHED CCN(C(=O)c1nc(C)cs1)[C@@H](C)c1ccc(C#N)cc1 1116214355 OFYAIKFJLJJFEI-LBPRGKRZSA-N 299.399 3.547 30 20 CHED COc1cccc(C(C)=NNc2cc(Cl)ccn2)c1 777906819 ONUMJLUCPQYXFL-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc(OC)c1O 776254918 NWZDXJNSXOCQGR-CYBMUJFWSA-N 263.381 3.625 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C(C)=C(/C)CC 779853396 FIBAZFAVJIFMJI-PFONDFGASA-N 287.403 3.956 30 20 CHED CCC(=NNc1cnnc2ccccc12)c1ccccc1F 778541594 IWAGUSVLNCELJF-UHFFFAOYSA-N 294.333 3.995 30 20 CHED C=C(CC)COC(=O)Cc1c[nH]c2cccc(C)c12 773515320 BWKKUMRNNMRGSR-UHFFFAOYSA-N 257.333 3.528 30 20 CHED CC(C)[C@@H](O)C1(C/N=C\c2c(O)ccc3ccccc23)CC1 775628892 BCTMHCTXFKPSHY-HDOAHBKWSA-N 297.398 3.761 30 20 CHED Cc1cc(N[C@@H](C)c2ncccc2C)c(C#N)cc1[N+](=O)[O-] 1120978060 HOIAULUXYJPDLQ-LBPRGKRZSA-N 296.330 3.651 30 20 CHED CC(=NOC1CCOCC1)C(C)(C)c1ccc(F)cc1 774434972 SWDZGYYGBABSPB-UHFFFAOYSA-N 279.355 3.675 30 20 CHED C[C@H](OC(=O)[C@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 885667485 KUYIRUQQMWZJMD-BBRMVZONSA-N 299.370 3.512 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3cccc(F)c3)cn2c1 789128945 WILGZOMFRSFVSR-VOTSOKGWSA-N 280.302 3.678 30 20 CHED COc1ccc(NN=C2CC(c3ccccc3C)C2)nc1 780275299 SRNBIDAZNPNPRA-UHFFFAOYSA-N 281.359 3.744 30 20 CHED CC(=NNC1CCCCC1)c1ccc(-n2cccn2)cc1 786042355 SEVVGKFJEHKNMK-UHFFFAOYSA-N 282.391 3.519 30 20 CHED CC(C)(C)c1ncc(C=NNC2CCCCC2)s1 786043647 QGTHQWLSJYGNDW-UHFFFAOYSA-N 265.426 3.697 30 20 CHED Cc1ccc(F)c(C(=O)OCc2ccc(C#N)c(C)c2)c1 783408813 HXJFUMNRYAZRHA-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=CC(C)(C)CC(=O)N(C1CC1)[C@H](C)c1ccco1 888373935 VYRYGYUJWXVOHP-GFCCVEGCSA-N 261.365 3.934 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1cc(Cl)ccc1F 787667956 JLLRKLCOTDLFEK-SNVBAGLBSA-N 286.730 3.504 30 20 CHED Clc1cccc(CNN=Cc2scnc2C2CC2)c1 782249882 SQJNJKFWQWOMSM-UHFFFAOYSA-N 291.807 3.798 30 20 CHED C=CCC1(N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCOCC1 895365913 HNINMLSXZQAFBL-LSDHHAIUSA-N 295.467 3.684 30 20 CHED CC(C)(C)CC(=NNC(=S)Nc1cccnc1)C1CC1 787150692 RZDYUCHDOMCXKR-UHFFFAOYSA-N 290.436 3.570 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(C)c1snc(C)c1C#N 891426057 POAVJTOFYFYKTK-RYUDHWBXSA-N 291.420 3.502 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cnn(-c2ccccc2)c1 785769494 RDIOJBIRHQAWKW-KRWDZBQOSA-N 284.359 3.518 30 20 CHED C/C(=C/C(=O)OCCCC(C)(C)C#N)C(C)(C)C 783926781 IDTGUDFMCOSCGL-BENRWUELSA-N 251.370 3.852 30 20 CHED CC(C)(C)c1ccc(C=NOCCOCC(F)F)cc1 786732304 MZQZDQDJQZLFAF-UHFFFAOYSA-N 285.334 3.616 30 20 CHED CCc1cccc(NC(=O)/C=C\C(=O)c2ccc(C)cc2)c1 899932481 RIHPXKAXMVVNDX-QXMHVHEDSA-N 293.366 3.935 30 20 CHED C#CCCN[C@@H](c1ccc(Cl)cc1F)C(C)C 782101731 RXTZRMFUNGHXGL-CQSZACIVSA-N 253.748 3.789 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)NCc1ccc(C#N)cn1 782730046 BRAPLEGMFHRWHR-INIZCTEOSA-N 299.418 3.566 30 20 CHED C#CCC(C)(C)c1nc(Cc2nsc3ccccc23)no1 896755530 BNLRZTNTICBHHY-UHFFFAOYSA-N 297.383 3.571 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2NCc2ccc(C#N)cn2)cc1 783301476 WXQGWWQQLOMPNO-RBUKOAKNSA-N 291.398 3.688 30 20 CHED C=CCC1(O)CCN(C(=O)CCCC[C@@H](C)CC)CC1 899591031 PROOHMKAXXOLIT-HNNXBMFYSA-N 281.440 3.523 30 20 CHED C=CC1(OC(=O)c2nc(-c3cccs3)oc2C)CC1 893365261 JIQFVDUKXHNBSX-UHFFFAOYSA-N 275.329 3.587 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc(C(F)F)cc1 794481772 HTMGRKYWINBWBK-UHFFFAOYSA-N 290.269 3.768 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)COc2cc(F)ccc21 794726864 FRXHSPXKVNLSQW-BJMVGYQFSA-N 290.240 3.763 30 20 CHED C(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2occc2c1 794923071 WGLADYRJLGTLAI-WHOFXGATSA-N 254.333 3.545 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2c(C)cccc2F)[C@H]1C 794533968 CQDDQZIOGBGSTO-RYUDHWBXSA-N 292.354 3.511 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2)cc1C#N 799296530 FRJVBMQWDKJQNL-CQSZACIVSA-N 278.355 3.700 30 20 CHED COc1cc(/C=C\C(=O)c2c(C)cc(C)cc2O)ccc1O 799895097 KZFHLIYDDUUQBS-ALCCZGGFSA-N 298.338 3.619 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)[C@@H](O)c1ccc(C)cc1 797065847 ZXFULMWLHVPDQJ-BHYGNILZSA-N 261.409 3.751 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1cccc(CC)c1 798375582 KOXJNQLLKHQDKX-CYBMUJFWSA-N 262.422 3.890 30 20 CHED Oc1ccccc1/C=N\C[C@H]1CCCN1C1CCCCC1 797785174 VRENSBHSYZOYBR-MCRQTXEHSA-N 286.419 3.608 30 20 CHED CC1(CNN=Cc2cc(F)cc3cccnc23)CCCC1 793084971 RWNGVIMOJYKABG-UHFFFAOYSA-N 285.366 3.878 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccnc(F)c1 794720126 CYHZGXGAERVLPV-HWKANZROSA-N 259.255 3.564 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1O 796694028 IRBLERYVBWQMAK-INIZCTEOSA-N 284.334 3.644 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2cc(C)ccc2F)[C@H]1C 794519884 IRHQXJRLCFJBNI-RYUDHWBXSA-N 292.354 3.511 30 20 CHED COc1ccc(-c2noc(-c3ccc(C)c(C#N)c3)n2)cc1 799761617 LOWHATJZRKUWAN-UHFFFAOYSA-N 291.310 3.592 30 20 CHED Cc1cc(C)c2cc(C(=O)N(CCC#N)CC(C)C)[nH]c2c1 797612405 GNCBJYKRVMQARQ-UHFFFAOYSA-N 297.402 3.797 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H]1CCOc2c(F)cc(F)cc21 797253173 MLWVPOUSPIBJLB-CYBMUJFWSA-N 296.313 3.934 30 20 CHED N#Cc1cccc(N[C@H]2Cc3ccc(Cl)cc3C2)c1 134843216 QJFYTSPENVOBLN-INIZCTEOSA-N 268.747 3.791 30 20 CHED Cc1nc(C#N)cc(NCC[C@H]2C[C@@H](C)CC(C)(C)C2)n1 1163190634 BMRQCXKDMJLGAU-OCCSQVGLSA-N 286.423 3.921 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCOC2(CCCC2)C1 135254363 FXXZVEXNSRSFJA-AWEZNQCLSA-N 274.339 3.601 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 76067580 XKHCUNFYWGIJDY-CABCVRRESA-N 292.423 3.803 30 20 CHED C=C[C@H](COC)N[C@H](C)c1oc2ccccc2c1CC 1320591900 LXBLEECUQWYXPE-CHWSQXEVSA-N 273.376 3.847 30 20 CHED N#Cc1cccc(C#N)c1Sc1c(F)cc(F)cc1F 1322006251 DCCYRWDEQLCOHN-UHFFFAOYSA-N 290.269 3.998 30 20 CHED CCC1(CC)CCCN(Cc2ccc(C#N)cn2)CC1 593974758 XYGHWLRLFHIDAF-UHFFFAOYSA-N 271.408 3.746 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1cc2ccccc2o1 1337357269 JVDUAFFKBWDGEO-LBPRGKRZSA-N 257.333 3.966 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2c(C)coc2C)c1 786082036 LJICWIUBTHRXCD-UHFFFAOYSA-N 267.328 3.544 30 20 CHED CC[C@H](Nc1cccc(C#N)n1)c1ccc(F)cc1 1254545141 JGIDLTUXDFNFBN-AWEZNQCLSA-N 255.296 3.656 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2ccccc2Cl)o1 1338094694 QVMWKVJVKTVAPJ-GFCCVEGCSA-N 291.778 3.891 30 20 CHED C=CCC[C@@H](C(=O)Nc1nc(C)ncc1C)c1ccccc1 1334116088 XURWOULDEFTVHG-MRXNPFEDSA-N 295.386 3.782 30 20 CHED C=CCn1c([C@@H]2CC=CCC2)nnc1N1CCC2(CCC2)C1 1342372036 MTEWREHCZVTUIW-OAHLLOKOSA-N 298.434 3.668 30 20 CHED C#CC[C@@H](CC)c1nnc(N2CCC[C@@H]2CCC)n1CC 1340701911 NOYIHVOMTQCSEI-CABCVRRESA-N 288.439 3.584 30 20 CHED C=CCCO[C@H](C)c1nnc(-c2ccc3ccccc3n2)o1 1341268085 XNSLSBHSCTZERS-GFCCVEGCSA-N 295.342 3.939 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(F)c(OC)c(F)c1 1345653902 RRCVRCVGOSMZIA-UHFFFAOYSA-N 269.291 3.514 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(C#N)c2)CC1 1435979661 WHBJDNBXWDZQLX-WBVHZDCISA-N 284.403 3.893 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1csc(C#N)c1 1456643998 KRAOBEHDMGWVFP-GBIKHYSHSA-N 263.362 3.601 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)c(F)c1F 1527894665 YMGDROYWJFYPDC-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC1(C)CCCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 1523985790 KOPAXMIGASDGDD-MRXNPFEDSA-N 284.403 3.723 30 20 CHED CC(C)[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1523369660 FBDAJCZTLJRUQX-KRWDZBQOSA-N 296.345 3.824 30 20 CHED N#Cc1cc(NC(=O)c2cc3ccccc3o2)c(F)cc1F 1462279292 IWOAOJQVIIOBPE-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)Nc1cccc(C#N)n1 1461148478 FQZBJFVWVWDEJV-AWEZNQCLSA-N 285.391 3.888 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(C#N)c(F)cc1F 1535439844 ZNPJEDUADGTSFH-GHMZBOCLSA-N 292.329 3.991 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1557352866 VLMQNJRMBMDTNI-GFCCVEGCSA-N 298.390 3.898 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 1633496511 DIUXMWHNOJZNPH-SDDRHHMPSA-N 290.329 3.554 30 20 CHED C[C@@H]1CC[C@@H](C)[C@H](NCCc2ccc(C#N)cc2)C1 1560927828 CCORTIDYWCYGFT-CKEIUWERSA-N 256.393 3.515 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1CCOc1ccccc1C#N 1642115512 ITPPZAPGEYRROL-DOTOQJQBSA-N 286.419 3.838 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1F)c1ccc(F)cc1F 1651541550 DKEBBCLKAQZTKS-CQSZACIVSA-N 291.276 3.934 30 20 CHED C=CC[C@@H]1CC[C@@H](N[C@@H](CCC(C)(C)C)C(=O)O)C1 1588458478 VRLRBOFUTCJIMS-MCIONIFRSA-N 267.413 3.600 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(Cl)o1 1584415458 UMMUKFFNJDWFIZ-JTQLQIEISA-N 288.734 3.638 30 20 CHED C=CCCCCCN(C)C[C@H]1CCCC[C@H]1C(=O)O 1588799710 BGIYCJSWPKQXTL-HUUCEWRRSA-N 267.413 3.556 30 20 CHED CC[C@H](C)[C@@H](Sc1cccc(C#N)c1Cl)C(=O)O 1594929491 SPIOSWBDWBWSTL-QPUJVOFHSA-N 283.780 3.803 30 20 CHED Cc1sccc1NC(=O)Nc1ccc(OCC#N)cc1 1673729207 CWVSZKBOYRFGGX-UHFFFAOYSA-N 287.344 3.603 30 20 CHED CC(C)c1ccc(N(C)C(=O)Nc2cccc(C#N)n2)cc1 1671229108 ZGPPERXILWMYDN-UHFFFAOYSA-N 294.358 3.745 30 20 CHED Cc1ccnc(NCc2ccc3occc3c2)c1C#N 1642911759 XKKCDQRJWOYAMG-UHFFFAOYSA-N 263.300 3.620 30 20 CHED O=C(O)/C=C\c1ccc(/C=C2/Cc3ccsc3C2=O)cc1 1777623689 UXGUKIXNOAZLQK-ZQOLMBSDSA-N 296.347 3.668 30 20 CHED C=CC[C@]1(C(=O)O)CCN(Cc2ccccc2C(C)C)C1 1776162281 VQDNYGMKQZTWQA-SFHVURJKSA-N 287.403 3.663 30 20 CHED C=CCN(Cc1ccc(C)cc1)[C@H](C(=O)O)c1ccccc1 1776180137 IZGXKWNBMUQYBF-SFHVURJKSA-N 295.382 3.809 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1ccncc1C 1776787129 UDLVWAHJBPZCDZ-INIZCTEOSA-N 292.423 3.683 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1nc(C)c(C)o1 1776784485 TYWJIVUZQOWPRL-AWEZNQCLSA-N 296.411 3.585 30 20 CHED C=CCC[C@@H](CCC)NC[C@@](C)(O)c1ccsc1 160129458 QVKRNJLXQHUCAI-HUUCEWRRSA-N 267.438 3.680 30 20 CHED N#CCC1(COc2cc(Br)ccc2F)CC1 164951488 QLRMWPIVDKQJFC-UHFFFAOYSA-N 284.128 3.661 30 20 CHED C[C@@H](CC#N)N(C)Cc1nc2cc(C(F)(F)F)ccc2o1 151853114 JXBSUINZUTXMAI-VIFPVBQESA-N 297.280 3.581 30 20 CHED C=C(C)CN(CC)[C@@H](C)c1nc(-c2ccccc2)no1 155130953 IQTXBCGHWVTTBS-ZDUSSCGKSA-N 271.364 3.696 30 20 CHED C=CCCNc1ccccc1C(=O)N1CCC(C)CC1 157162927 ANBKXGUVQCQKCK-UHFFFAOYSA-N 272.392 3.547 30 20 CHED C=CCCOCCNC(=O)c1ccc(SC(C)C)cc1 155434587 XWJKJRORXAEUOZ-UHFFFAOYSA-N 293.432 3.510 30 20 CHED C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(C#N)cc1 154505329 DPJRVUHEKUNZPY-SJCJKPOMSA-N 284.334 3.621 30 20 CHED CN(Cc1cccc(Cl)c1)c1nccc(C#N)c1Cl 234302977 OHXPCOLYBHHUSA-UHFFFAOYSA-N 292.169 3.896 30 20 CHED Cc1ccc(C(=O)O)cc1OCCCCC(C)(C)C#N 235787042 SHIFNLGECFDLDU-UHFFFAOYSA-N 275.348 3.792 30 20 CHED COc1ccc(C#N)cc1CNc1ccccc1Cl 129240612 HEUWYOLPSWHCEL-UHFFFAOYSA-N 272.735 3.832 30 20 CHED COc1ccc(OCc2ccc(Cl)cc2C#N)cc1 260867042 XGDUXYIRISHVND-UHFFFAOYSA-N 273.719 3.799 30 20 CHED N#Cc1ccc(OCCCOc2ccccc2F)cc1 34674971 CTCGKPNUPTZKGH-UHFFFAOYSA-N 271.291 3.545 30 20 CHED N#Cc1ccc(Cl)cc1N1CC=C(C(F)(F)F)CC1 160253071 WNORDGWLGWZHND-UHFFFAOYSA-N 286.684 3.910 30 20 CHED C=CCCCCNc1cncc(Br)c1 302235467 FIKWTVGKXWOYJR-UHFFFAOYSA-N 255.159 3.612 30 20 CHED N#Cc1sc(N2CC[C@H]3CCCC[C@@H]3C2)nc1Cl 311136429 KMHFUDOEWPDLHZ-NXEZZACHSA-N 281.812 3.685 30 20 CHED N#Cc1ccc(CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)c(Cl)c1 313361346 OKCCBZPYLIPWOC-SDADXPQNSA-N 286.806 3.690 30 20 CHED N#Cc1cccc(-c2csc(C3CCOCC3)n2)c1 87812428 VPKNPZHMQRVWTQ-UHFFFAOYSA-N 270.357 3.576 30 20 CHED C[C@@H](c1ccco1)N(C)Cc1ccc(CC#N)cc1 342666652 MRZYTOOKYWUBHG-ZDUSSCGKSA-N 254.333 3.539 30 20 CHED N#Cc1csc(CNCC[C@H]2C[C@H]3CC[C@H]2C3)c1 343798291 YETVVVVBAQMCGN-UBHSHLNASA-N 260.406 3.536 30 20 CHED C=C(CC)CN1CCC(OCc2ccccc2)CC1 358620736 AAOOVCPEUQPXLU-UHFFFAOYSA-N 259.393 3.634 30 20 CHED Cc1cc(=NCc2ccc(Cl)c(Cl)c2)c(C#N)c[nH]1 689239315 JRSBBSXXWKFDGF-UHFFFAOYSA-N 292.169 3.603 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)s2)n1 385094956 YQRWOGQLSISPEX-MWLCHTKSSA-N 273.361 3.963 30 20 CHED C=CC(C)(C)CNC[C@H](O)c1cccc(C(F)(F)F)c1 395417104 ZPMXJOPEPXLXNS-ZDUSSCGKSA-N 287.325 3.541 30 20 CHED C[C@@H](NC[C@H](C#N)CCC#N)c1ccc2c(c1)CCCC2 23677221 VFQJEYYPDRTKGV-CABCVRRESA-N 281.403 3.660 30 20 CHED C[C@@H](NC(=O)N[C@H](C)c1cccs1)c1ccc(C#N)cc1 31107029 YYDFHEXNQVQRAV-VXGBXAGGSA-N 299.399 3.741 30 20 CHED C[C@H]1CCC[C@@H](C)N1CCCOc1ccc(C#N)cc1 34674288 LDAGUWZSONTKGS-GASCZTMLSA-N 272.392 3.590 30 20 CHED CCOc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 35256359 SVDZARZTHAMLGD-AWEZNQCLSA-N 280.371 3.808 30 20 CHED C[C@@H](C#N)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 42568640 IMYJNOZAROWQPV-LURJTMIESA-N 271.267 3.586 30 20 CHED C=CCN(CC=C)C(=O)CSCCCc1ccccc1 46806526 HYHDQVSMXAEVGY-UHFFFAOYSA-N 289.444 3.553 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)NCC1CCC1 48181409 OXANPMLTOOUSCY-UHFFFAOYSA-N 290.366 3.755 30 20 CHED Cc1cccc2c1OC/C(=C/c1cccs1)C2=O 48985475 UBERJSKAVFYEBB-FLIBITNWSA-N 256.326 3.715 30 20 CHED C=CCN(CC=C)Cc1ncc(-c2ccccc2)o1 52868437 LORBAKSADNLOTK-UHFFFAOYSA-N 254.333 3.516 30 20 CHED N#Cc1cccc(CN2CCC3(CCCC3)CC2)c1 62953862 OCBKSPNNNGVFMX-UHFFFAOYSA-N 254.377 3.714 30 20 CHED N#Cc1cccc(Oc2ccc(NC(=O)NC3CC3)cc2)c1 66953349 DFRMRNZUGASCBU-UHFFFAOYSA-N 293.326 3.634 30 20 CHED N#Cc1ccc(CNCCCSc2ccccc2)cc1 70741556 BIWAMFOHWMGHOD-UHFFFAOYSA-N 282.412 3.830 30 20 CHED Cc1ccc(CCCC(=O)Nc2ccccc2C#N)s1 79381684 SZPNGHPNDROKKG-UHFFFAOYSA-N 284.384 3.890 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(SCC#N)c1 79382308 NNXFJKAATFCXDW-IUODEOHRSA-N 288.416 3.611 30 20 CHED C[C@@H](CCNc1cccc(C#N)n1)c1ccccc1 80118912 HIPVRPHAIHLXKU-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED C=CCOc1ccc(OC(=O)CC[C@@H]2CCCCO2)cc1 81324120 QSSQWIOZHNLJSR-AWEZNQCLSA-N 290.359 3.506 30 20 CHED C=CCCC(=O)N[C@@H](C)c1c(F)cccc1Cl 81382325 FCORKDXPOBZBDT-VIFPVBQESA-N 255.720 3.623 30 20 CHED Cc1cccc2[nH]cc(CC(=O)Nc3cccc(C#N)c3)c12 82338531 FZWLVPBSBQNCMR-UHFFFAOYSA-N 289.338 3.529 30 20 CHED Cc1ccc2nc(NC(=O)c3cc(C#N)cs3)sc2c1 84059023 IITGMGVCWPEAIC-UHFFFAOYSA-N 299.380 3.790 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2cc(C#N)cs2)c(C)s1 84077106 PXXPTSQYOLHGGX-SECBINFHSA-N 290.413 3.789 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](C)c1ccc2ccccc2c1 84583380 NNCSIWMNCSIIKA-CABCVRRESA-N 294.398 3.951 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 88191344 VZIGEIZKCYOWFB-JOYOIKCWSA-N 284.281 3.556 30 20 CHED Cc1cc([C@H](C)NCc2cc(C#N)cs2)c(C)o1 93492563 FSHFMDYKRVVXSG-JTQLQIEISA-N 260.362 3.680 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@H](c2ccccc2)C1 103141836 COKLNSQVLBVIQX-INIZCTEOSA-N 280.346 3.687 30 20 CHED Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)cc1 103267984 UDVQYDQUQNGIQC-CQSZACIVSA-N 266.344 3.898 30 20 CHED N#Cc1ccc(NCc2nccs2)c(C(F)(F)F)c1 106403887 WBXYPUTXAPLTTR-UHFFFAOYSA-N 283.278 3.646 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC[C@@H]1CCCCO1 110180504 SBGLVTZNFHXLDM-AWEZNQCLSA-N 293.432 3.612 30 20 CHED C=CCCC(=O)Nc1nc2ccccc2n1-c1ccccc1 110319387 WRGYXUXPPYEYHN-UHFFFAOYSA-N 291.354 3.930 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(F)ccc1Cl 117005882 YDQDDWKIWWUOOL-MRVPVSSYSA-N 256.708 3.565 30 20 CHED C=C[C@H](CC(=O)Nc1cc([C@@H]2C[C@H]2C)n[nH]1)c1ccccc1 120420703 PDMSFACTOXVFMW-UMVBOHGHSA-N 295.386 3.832 30 20 CHED C=C[C@@H](CC(=O)NCCSC(C)(C)C)c1ccccc1 127861150 WYNVDYFQAUBBFE-AWEZNQCLSA-N 291.460 3.994 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(OC)c(OC)cc1F 131672235 CDQRUIJXVGSEBQ-UHFFFAOYSA-N 293.338 3.550 30 20 CHED Cc1cccc(Cl)c1NC(=O)NCc1cccc(C#N)c1 132725229 ALEJHANZUOWPGS-UHFFFAOYSA-N 299.761 3.842 30 20 CHED N#CCCCCN1CCC[C@@H](Oc2ccccc2Cl)C1 133231373 OJEMRIBZDMTLQQ-CQSZACIVSA-N 292.810 3.877 30 20 CHED C=C(C)CN1CCC(NCc2cccc(Cl)c2F)CC1 134019969 SYQABKNQHQIBMR-UHFFFAOYSA-N 296.817 3.609 30 20 CHED CC[C@H](C)c1cc(C(=O)Nc2cc(C#N)ccc2C)on1 152782504 HVUAGMJNZWZRRX-JTQLQIEISA-N 283.331 3.621 30 20 CHED CC#CCCOc1ccc(Oc2ccccn2)cc1 154852399 HMNPZFPLUYXHQD-UHFFFAOYSA-N 253.301 3.666 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(O[C@H](C)CC)c1 155883013 SMAUUDRFDOUNGP-OLZOCXBDSA-N 289.379 3.678 30 20 CHED C=CCCNc1ccccc1Oc1ncccc1C#N 157151018 HQWBUIUQDOAEOI-UHFFFAOYSA-N 265.316 3.734 30 20 CHED C=CCCNc1cc(C(F)(F)F)ccc1NC(C)=O 157168277 AZRZKNZFWQMMMC-UHFFFAOYSA-N 272.270 3.652 30 20 CHED CC(C)CSCCN[C@@H](C)c1ccc(C#N)cc1 160038483 BROFJNMZRWSLTH-ZDUSSCGKSA-N 262.422 3.598 30 20 CHED CCS[C@@H]1CCC[C@H](Nc2nc(C)ccc2C#N)C1 161713140 DAXMMOGCPPUDFC-UONOGXRCSA-N 275.421 3.738 30 20 CHED CCc1oc2ccccc2c1C(=O)[C@@H](C#N)c1ccccn1 165463091 DUMVWTWJMUGDAS-ZDUSSCGKSA-N 290.322 3.880 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc(F)c2)c1 168878715 APWOOYJBCYFXKR-HJWRWDBZSA-N 256.276 3.730 30 20 CHED CC(C)C[C@@H](NC(=O)NCCCCC#N)c1ccccc1 170886789 UUVUWZFDFMDEIL-MRXNPFEDSA-N 287.407 3.767 30 20 CHED CC[C@H](CC(=O)NCCCCC#N)c1ccc(C)cc1 172411820 VLBBCOZFJLYRQG-OAHLLOKOSA-N 272.392 3.689 30 20 CHED Cc1ncsc1/C=C1\CSc2c(F)cccc2C1=O 172816824 DDWBHRGIOGIXRO-WEVVVXLNSA-N 291.372 3.963 30 20 CHED C[C@H](NC[C@@H](C)Oc1ccc(F)cc1)c1ccc(C#N)cc1 174264625 SRPZUDPBDGMTBT-KGLIPLIRSA-N 298.361 3.815 30 20 CHED C=CCCCC(=O)N(C)[C@@H](CC)Cc1ccccc1 175859127 POQCSTMCOYGAAH-INIZCTEOSA-N 259.393 3.822 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 176801529 JRSAHURDUCPKCR-SFHVURJKSA-N 280.346 3.817 30 20 CHED CSc1ccsc1C(=O)Nc1ccc(F)cc1C#N 177577328 KOOQNBUWDHQDBM-UHFFFAOYSA-N 292.360 3.733 30 20 CHED C[C@@H](C#N)CNC(=O)CC1CCC(C(C)(C)C)CC1 178194935 XHJLFPJLVMIIQX-HSBZDZAISA-N 264.413 3.505 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)CC(C)C)c1ccccc1 179511955 QMIUHYMGIRETPQ-GJZGRUSLSA-N 259.393 3.897 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 179771173 OUCBMCMQTKZBGV-NSHDSACASA-N 294.326 3.517 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(SC(F)F)cc1 180469976 UQJISUPYSFGUIU-UHFFFAOYSA-N 271.332 3.649 30 20 CHED C#CCCCCC(=O)OCc1cc(C)sc1C 180614166 MWYNSSDFOWZZGZ-UHFFFAOYSA-N 250.363 3.602 30 20 CHED CCOc1ccccc1CCN[C@@H](C)c1cccc(C#N)c1 181932758 YIYCCQQQUXLGIB-HNNXBMFYSA-N 294.398 3.850 30 20 CHED N#Cc1ccc(CNc2nnc(C3CCCCC3)o2)cc1 181944814 YFLOUZSEGKDSCZ-UHFFFAOYSA-N 282.347 3.601 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1csnc1C 181993964 XMNSMHGSUVQHSU-UHFFFAOYSA-N 278.421 3.660 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccc(OC(F)F)cc1 182634051 ZTCSNJZZPQAHHL-GFCCVEGCSA-N 297.345 3.692 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ccc(OC)c(F)c1 182637538 XVRVRRRDOVQSLO-CYBMUJFWSA-N 293.382 3.628 30 20 CHED N#C[C@]1(NC(=O)CC2CCCCC2)CCc2ccccc2C1 183944997 FYEZUFGGHPLDSV-IBGZPJMESA-N 296.414 3.524 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCSc2ccc(F)cc2)C1 185767250 UAONMXUVUXMLFX-UKRRQHHQSA-N 292.423 3.980 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CCCc2ccc(C)cc21 185966938 QZLGUEYGPBEYGD-INIZCTEOSA-N 269.388 3.538 30 20 CHED C#CCC(C)(C)C(=O)Oc1cccc(OC(F)(F)F)c1 187775224 GHBVVYJYILYYRB-UHFFFAOYSA-N 286.249 3.540 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2ccccc2[C@@H]1C 187985215 VBMOCKVGXXEUAJ-SUMWQHHRSA-N 257.377 3.735 30 20 CHED CC[C@@H](CC#N)OC(=O)c1oc2c(C)cccc2c1C 188017014 FIONFTHWHYLKFT-LBPRGKRZSA-N 271.316 3.899 30 20 CHED CC(C)C1(C)CCN(C(=O)CCc2ccc(C#N)cc2)CC1 190341394 TVZCLDARDBYXJR-UHFFFAOYSA-N 298.430 3.776 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(OCCC)cc1 190716131 GPCKEBXZJCEFBP-QGZVFWFLSA-N 275.392 3.694 30 20 CHED COc1cccc(Cl)c1CN[C@H]1CCC[C@@H](C#N)C1 193351516 RKHDCPBVMKOHPC-NEPJUHHUSA-N 278.783 3.521 30 20 CHED C#CCCCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 194685020 ZYAQRYXXHBXLNC-OAHLLOKOSA-N 295.382 3.527 30 20 CHED C#Cc1cccc(NC(=O)c2c(F)ccc(C)c2F)c1 214823887 JBZBJUPBWGIXGJ-UHFFFAOYSA-N 271.266 3.507 30 20 CHED C#CCCCCNc1ccc(C#N)cc1Br 230344778 SQTDOBIQJYAFPS-UHFFFAOYSA-N 277.165 3.536 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCO1 231718805 CRJSKABNUUMOMR-SKDRFNHKSA-N 284.281 3.556 30 20 CHED C=C[C@H](C)NCc1ccc(OCc2ccccc2)c(OC)c1 237155360 NDKOOBMLTZTUPK-HNNXBMFYSA-N 297.398 3.938 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(C#N)cc2F)o1 237565211 CDVUQOYMCDWCDN-NHYWBVRUSA-N 284.334 3.704 30 20 CHED N#CCCCOc1cccc(CNC2CCCCC2)c1 237818707 ZIFLMTSWEGBNQJ-UHFFFAOYSA-N 272.392 3.791 30 20 CHED COc1ccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)C2CC2)cc1 248842108 NUYJGMOMVYJJLF-MZMPZRCHSA-N 284.403 3.818 30 20 CHED COCc1cccc(/C=C2/Cc3cc(F)ccc3C2=O)c1 254970769 UFKBKBJMOGHNST-NVNXTCNLSA-N 282.314 3.795 30 20 CHED COc1ccc(OC(F)F)c(/C=C\C(=O)c2ccco2)c1 255226568 SNURHVBEMSBKSP-XQRVVYSFSA-N 294.253 3.786 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc2cccnc12 264073679 OJFMKXHTKWRRPH-UHFFFAOYSA-N 295.386 3.637 30 20 CHED C=C1CCN(C(=O)CCCCOc2cccc(C)c2)CC1 264118331 QHDJAOOTXQXUQO-UHFFFAOYSA-N 287.403 3.723 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccccc1C(C)(C)C 264141162 OENNMNVESHKZMW-GFCCVEGCSA-N 273.380 3.607 30 20 CHED Cc1cc(C)cc([C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 266483817 UHJVUKBHJFTQJF-KXBFYZLASA-N 294.398 3.559 30 20 CHED C=CCCCC(=O)Nc1nc2ccsc2s1 267137764 GRBUHPAOPDMNKS-UHFFFAOYSA-N 252.364 3.653 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(C#N)cc1 268176190 RUNYLQUIBXOIKY-CYBMUJFWSA-N 268.360 3.504 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CCO[C@@H](C(C)(C)C)C2)n1 270774994 MUNBFRUUGHMDCV-DZGCQCFKSA-N 287.407 3.576 30 20 CHED CCN(CCC#N)Cc1cc(-c2ccccc2)ccc1O 271043240 ONEYLVDRBTXNNP-UHFFFAOYSA-N 280.371 3.795 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1ccccc1)Cc1ccco1 278536852 MIIQHMZURGCMSY-UHFFFAOYSA-N 296.370 3.748 30 20 CHED CCn1ccnc1[C@@H]1CCCCN1c1cccc(F)c1C#N 281894689 DVOWYCZTIRFMKH-INIZCTEOSA-N 298.365 3.645 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1cccc(C#N)c1 283600020 MMZXJVIAJICGNC-CYBMUJFWSA-N 270.376 3.599 30 20 CHED CC1=CC[C@@H](Nc2ccccc2O[C@@H](C)C#N)CC1 285134245 LNQIQDUKJNAVMI-UONOGXRCSA-N 256.349 3.888 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCc2cccc(C)n2)c1 286588014 NUFAYNKVPUOHBF-UHFFFAOYSA-N 293.370 3.509 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cn(C(C)C)nn2)cc1C 287361137 YGQDOGFIJPPFMH-VOTSOKGWSA-N 283.375 3.680 30 20 CHED CC[C@@](C)(C#N)c1nc(C2(c3ccccc3)CCC2)no1 289723278 NGNYADQROVJSTD-INIZCTEOSA-N 281.359 3.731 30 20 CHED C=CCC1(c2nc(CCC(F)(F)F)no2)CCC1 289965971 COOZNHKABBUCTA-UHFFFAOYSA-N 260.259 3.562 30 20 CHED C#CCCCCC(=O)Nc1cc(C)c(OC)cc1Cl 289978818 CRLFMTYXFQDNDP-UHFFFAOYSA-N 279.767 3.789 30 20 CHED C=CCOCCS[C@@H](C)[C@H](C)SCCOCC=C 292706382 RAWPLZAEORGAOI-KBPBESRZSA-N 290.494 3.635 30 20 CHED C=CCCc1noc([C@@H]2C[C@H]2c2ccc(F)cc2F)n1 297315077 NBKKYVTWKRSWDO-NWDGAFQWSA-N 276.286 3.738 30 20 CHED C=CCC[C@@H](C(=O)NCC1CC(F)(F)C1)c1ccccc1 298242772 JEVSTKJFYJFWEH-OAHLLOKOSA-N 293.357 3.898 30 20 CHED CC[C@H](C(=O)N(CCC#N)Cc1ccco1)c1ccccc1 298795733 HWRRANZRFHYBOS-KRWDZBQOSA-N 296.370 3.716 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1c1ccccc1C 299273813 PPBQLFPXAMUWSU-NVXWUHKLSA-N 287.403 3.640 30 20 CHED Cc1cccc(C2=CCN([C@@H](C)CCC#N)CC2)c1 299517612 CPQAMUVRWJDIPY-HNNXBMFYSA-N 254.377 3.776 30 20 CHED Cc1nc(C)c(C)c(Oc2ccc(C#N)cc2Cl)n1 301448026 QYVBKFGFJBVPNV-UHFFFAOYSA-N 273.723 3.719 30 20 CHED N#Cc1cc(F)c(NCCc2ccc(Cl)nc2)c(F)c1 301678555 UCMMBGWWKNHVQC-UHFFFAOYSA-N 293.704 3.539 30 20 CHED Cc1cc(NCCCCC#N)c2cccc([N+](=O)[O-])c2n1 301990087 FJOZMKJDDWHOPC-UHFFFAOYSA-N 284.319 3.557 30 20 CHED C=C(C)CN(CC)C(=O)c1csc2c1CC[C@@H](C)C2 302001620 ZSKIDACHKYQLLJ-GFCCVEGCSA-N 277.433 3.911 30 20 CHED C[C@H]1CC[C@@H](C)N1c1ccc(C(F)(F)F)c(C#N)c1 302194618 NRQCNWJZNJYAPX-AOOOYVTPSA-N 268.282 3.954 30 20 CHED CCCCCCCC(=O)N1CCOC[C@H]1CC(C)C 303577311 JUBJKEAXQFABDR-OAHLLOKOSA-N 269.429 3.620 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(F)ccc2Cl)c1 308194508 LPIHJIPVNNKAHE-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1/N=C(/O)c1snnc1C1CC1 329772612 KTVJOPLBAAZVKU-KOLCDFICSA-N 293.436 3.935 30 20 CHED Cc1c(N=C(O)c2csc(O)n2)sc2c1CCCC2 329901774 HFFUBRVKDJHFSD-UHFFFAOYSA-N 294.401 3.734 30 20 CHED C[C@H]1CC[C@@H](C(O)=Nc2nc3ccsc3s2)O1 330081540 JZYZQRIKNLKAQV-XPUUQOCRSA-N 268.363 3.513 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(CC#N)cc2)C1 330469479 BWGJWXPZGXKFKI-IAGOWNOFSA-N 284.403 3.697 30 20 CHED Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 335864997 UCAAPDDXZTYYIZ-UHFFFAOYSA-N 276.339 3.537 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1cc(C#N)oc1C 336151988 MNAFHZZVOOGOIN-UHFFFAOYSA-N 274.707 3.674 30 20 CHED N#CCC1CCN(C(=O)C2=C(c3ccccc3)CCC2)CC1 336257907 ZTBRBJKUWBAIHC-UHFFFAOYSA-N 294.398 3.776 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 336484898 BYBQHVYCIOUKIQ-LJQANCHMSA-N 287.366 3.597 30 20 CHED N#Cc1cccnc1N[C@H]1CCCCC12CCCC2 336812989 BJUQOSHSKONTIC-AWEZNQCLSA-N 255.365 3.868 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(CN(CC)CC)cc1 337092858 MVFOMGSIXOHIME-QGZVFWFLSA-N 288.435 3.613 30 20 CHED C=CCOCCN[C@@H](CC)c1ccccc1OC(F)F 339070529 OWLKWLOTFJRDIH-ZDUSSCGKSA-N 285.334 3.531 30 20 CHED C=CCCN(C)C(=O)CCCc1nc2ccccc2s1 342537098 ZBLKZOCSYRFENB-UHFFFAOYSA-N 288.416 3.654 30 20 CHED CCC(CC)N(CC)CCCC1(C#N)CCOCC1 344039111 SZAFFALFVZQABF-UHFFFAOYSA-N 266.429 3.597 30 20 CHED C=CCOCCCN1CC=C(c2c(F)cccc2F)CC1 348030015 IERSEFSLJSUMMA-UHFFFAOYSA-N 293.357 3.647 30 20 CHED C=CCCOCCN[C@H]1CCCc2c(Cl)cccc21 349782583 ZFQGHLPFNIQXDQ-INIZCTEOSA-N 279.811 3.900 30 20 CHED C=CCCCC(=O)NCc1ccccc1N(C)C(C)C 353352466 KKVKBGSBQVMDJQ-UHFFFAOYSA-N 274.408 3.504 30 20 CHED CC(C)COc1cccc(CNc2cccnc2C#N)c1 357186832 LLOLLEVZFCHVKY-UHFFFAOYSA-N 281.359 3.600 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2cn3ccccc3c2C#N)C1 357745318 OOYPFPSUSANPFA-HUUCEWRRSA-N 281.403 3.821 30 20 CHED N#CCCCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 359913433 RJLRSPJJKFJOBI-SFHVURJKSA-N 292.382 3.780 30 20 CHED C#CCC1(C(=O)N2CC[C@H](c3ccco3)C2)CCCCC1 373754138 OAWIAZGTZMAELK-HNNXBMFYSA-N 285.387 3.569 30 20 CHED C=CCSCCN[C@@H]1CCC[C@H](c2cccnc2)C1 374326980 FOTPCNZTNKPEBV-GOEBONIOSA-N 276.449 3.617 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H]2C2CCC2)c1 375616663 CXAFDYDTYZDGCA-OAHLLOKOSA-N 288.778 3.616 30 20 CHED Cc1ccc(Br)cc1N[C@@H]1CC[C@@H](C#N)C1 381429183 AYESPISTDDMOOY-ZYHUDNBSSA-N 279.181 3.862 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)[C@H]1CC2CCC1CC2 381663905 KDONNLFGTLZCOZ-PHZSVIKTSA-N 298.430 3.893 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 395769984 SKMQHFJGUPLQHC-INIZCTEOSA-N 260.356 3.708 30 20 CHED N#CC[C@H]1CCCN(Cc2cccc3ccccc23)C1 397812445 IUXWOGRFQWOJGH-OAHLLOKOSA-N 264.372 3.965 30 20 CHED N#Cc1ccc(N2CC[C@@H](C3CC3)C2)c(Br)c1 400130872 SBLQYTVFWGQYIR-GFCCVEGCSA-N 291.192 3.557 30 20 CHED CC(C)SCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 409446581 MUPSCWNMZGWLFF-IAGOWNOFSA-N 288.460 3.900 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCOc1ccc(C)c(C)c1 410133639 ZUVORCVPLOYOEE-MRXNPFEDSA-N 289.419 3.933 30 20 CHED CCN(C(=O)c1ccn(C(C)C)c1C)c1ccc(C#N)cc1 410530401 WSUIHNLIMYEMOI-UHFFFAOYSA-N 295.386 3.916 30 20 CHED C=CCC1(C(=O)Nc2ncc(OC)s2)CCCCC1 410830199 BVRYDJSTGNAZAM-UHFFFAOYSA-N 280.393 3.617 30 20 CHED N#CCCSCc1noc(-c2ccc(Cl)cc2)n1 413010459 GQMAOXXERRZTMQ-UHFFFAOYSA-N 279.752 3.537 30 20 CHED COc1ccc(CC(C)(C)Nc2ncc(C#N)cc2F)cc1 413252523 WYZIVPZRBYDIJS-UHFFFAOYSA-N 299.349 3.534 30 20 CHED Cc1cccn2cc(CSCC3(C#N)CCC3)nc12 419432735 YHCVWCWEWYGGMI-UHFFFAOYSA-N 271.389 3.570 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)[C@@H]1C[C@H]1c1cccs1 421880418 OIOOQMCCVDRJOL-DDTOSNHZSA-N 288.441 3.963 30 20 CHED 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CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CCC(C(C)C)CC1 435748515 ORUGAASVBMBSHW-MNAZLIDISA-N 265.441 3.772 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[C@H](C#N)C1 442863438 QXNWGHGPZQPGEE-NUEKZKHPSA-N 276.811 3.943 30 20 CHED N#Cc1cccc(NC(=O)Nc2ccc3ccoc3c2)c1 443158990 QZGTXQWIAIMRST-UHFFFAOYSA-N 277.283 3.948 30 20 CHED C=CC[C@H]1N(C(=O)NCCCOC(C)C)CCCC1(C)C 444887530 NPGBMNCAPZDLOP-OAHLLOKOSA-N 296.455 3.578 30 20 CHED N#Cc1ccncc1N[C@H]1CC[C@H](Cc2ccccc2)C1 445677099 VOUQJELQKHPLCQ-WBVHZDCISA-N 277.371 3.777 30 20 CHED C=CCCc1nc(-c2ccc(SCC)cc2)no1 445755438 HZORDGATTPKUED-UHFFFAOYSA-N 260.362 3.967 30 20 CHED CCC(CC)n1ccc(CN(C)Cc2ccc(C#N)cc2)n1 448446605 KTOPYKAUPAGTAV-UHFFFAOYSA-N 296.418 3.748 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 448814722 ZTYBGPXZTGFJMQ-OKZBNKHCSA-N 283.415 3.680 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC[C@@H]2c2ccccc2)o1 449402426 REPPLXJWHBTFJM-MAUKXSAKSA-N 280.371 3.825 30 20 CHED C=CCN(Cc1cccs1)CC1CC(F)(F)C1 450220124 GULARJDNGYARDG-UHFFFAOYSA-N 257.349 3.781 30 20 CHED C=CC(C)(C)C(=O)NCCc1cc(Cl)ccc1OCC 450246265 QEDBZACEFADBBH-UHFFFAOYSA-N 295.810 3.610 30 20 CHED N#Cc1ccnc(N[C@H](c2ccccc2)C2CCCC2)n1 450310389 XFFOJNIAUUPBBO-MRXNPFEDSA-N 278.359 3.692 30 20 CHED C[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3C#N)c2C[C@H]1C 451002715 RTJZQTLTFHUVPX-VXGBXAGGSA-N 299.805 3.827 30 20 CHED C=C(C)CCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 451015062 KHGCEIJREDMJRZ-MRXNPFEDSA-N 269.392 3.974 30 20 CHED COc1cccc([C@H]2C[C@H](N(C)CC3(C#N)CCC3)C2)c1 452013264 GNROVGFAWJDXCW-WKILWMFISA-N 284.403 3.567 30 20 CHED C=CC(C)(C)CNC(=O)[C@]1(C)CCc2ccccc2C1 452775601 OQQZGBDRFWSBGJ-GOSISDBHSA-N 271.404 3.510 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 452775608 ORYKDKJDIQJUAN-NXEZZACHSA-N 283.824 3.833 30 20 CHED C=CC(C)(C)CNC(=O)c1oc(-c2ccccc2)nc1C 452775736 PEPUULJQSLQBTH-UHFFFAOYSA-N 284.359 3.592 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc2c(c1)CCCCC2=O 452779747 CCAOGTIOWORYKE-UHFFFAOYSA-N 285.387 3.538 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 455304060 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CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@]1(C)C(C)C 476086304 VHUJQHDRCWITIV-MJGOQNOKSA-N 298.430 3.979 30 20 CHED C=CCCC1(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)CC1 476402903 GUXGGUCITMORHW-GVDBMIGSSA-N 281.399 3.577 30 20 CHED C=CCCCCCS[C@@H]1CCCN(C(C)C)C1=O 485564995 ARTWWOVVSNZIFO-CQSZACIVSA-N 269.454 3.865 30 20 CHED C=C(C)CN(C)C(=O)NCCCC1CCCCC1 486249003 IIZLZKWSCXVXGT-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(OCC)c1 486500770 VMVLEWWYJNXFGH-LBPRGKRZSA-N 276.336 3.538 30 20 CHED N#Cc1ccc(C(=O)NCCCC2CCCCC2)s1 486801242 QKDFOXMEURVDHW-UHFFFAOYSA-N 276.405 3.710 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 487735420 YGOXUESMRAHCLP-DLBZAZTESA-N 286.419 3.930 30 20 CHED N#CCCNC(=O)Nc1ccc(SC2CCCC2)cc1 487926903 DYLQOZMDMLOZTP-UHFFFAOYSA-N 289.404 3.756 30 20 CHED C=CCn1cccc1C(=O)N[C@H](CC)c1ccc(OC)cc1 488578026 MROXOOPPAHXCIE-MRXNPFEDSA-N 298.386 3.564 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)[C@H](C)c1ccccc1 488751564 WCQACZZLTIWZIW-GJZGRUSLSA-N 282.387 3.596 30 20 CHED C[C@@H]1CN(c2ccc(Cl)cc2C#N)Cc2ccccc2O1 488783995 MRMXBDHMLZMYDO-GFCCVEGCSA-N 298.773 3.999 30 20 CHED C=C[C@@H]1CCCCN1Cc1csc(C(C)(C)C)n1 489410959 VKHXZEXZSYVAQM-CYBMUJFWSA-N 264.438 3.981 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)NCC(C)(C)CCC#N 491995251 DSVXYTMQFWYGHM-LSDHHAIUSA-N 293.455 3.974 30 20 CHED CC[C@H]1C[C@]1(NC(=O)CC(C)(C)C#N)c1cccc(C)c1 501650958 QYTPVNPXXWYGHN-KBXCAEBGSA-N 284.403 3.676 30 20 CHED C=C(C)CCN(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 509363925 CMFZAZLAPNQSOF-MJGOQNOKSA-N 286.463 3.938 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cccc(C#N)c1 510591636 UAAHNAZBCSBLDY-UKRRQHHQSA-N 270.376 3.504 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 520013476 MIRAYZFMCAZISB-RBSFLKMASA-N 281.440 3.689 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1nc(C)ccc1C#N 520780117 DAZNPJXVEMIKDT-KAMYIIQDSA-N 277.371 3.801 30 20 CHED CN(CCCOc1ccc(F)cc1)c1ccc(C#N)cc1 521402960 ZORZTPHLGSOVLT-UHFFFAOYSA-N 284.334 3.603 30 20 CHED C[C@@H](C#N)CNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 522108472 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C=CCCNC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 661569603 BPSMTMOPQCLKQA-LBPRGKRZSA-N 295.452 3.853 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cnccc1C(F)(F)F 663473292 GWMLJUBDRUUNIU-GHMZBOCLSA-N 272.314 3.791 30 20 CHED C=CCCNC(=O)Nc1ccc2c(ccn2CCC)c1 665993897 AYWATBZJPUUEEF-UHFFFAOYSA-N 271.364 3.749 30 20 CHED C=C(CNC(=O)[C@H](CC)OC1CCCC1)c1ccccc1 672481097 LHPJLBXGEAFMSV-KRWDZBQOSA-N 287.403 3.554 30 20 CHED C#CCCCCC(=O)Nc1cccc(O[C@H](C)CC)c1 692858813 YVQAFJMPIDRCOF-CQSZACIVSA-N 273.376 3.996 30 20 CHED CC[C@H](Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1O 727781588 QVXJQQKMSVXFJA-PWDRBQJJSA-N 298.342 3.741 30 20 CHED C=CCc1cc(OCC)cc(CN2CCC[C@@H]2CC)c1O 727823685 AWORTPRXJPOOLD-INIZCTEOSA-N 289.419 3.894 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CC)c2cccc(Cl)c2)cn1 728810350 HJETWRPBJXMYQK-INIZCTEOSA-N 298.773 3.597 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)c1ccc2ncccc2c1 730147327 BRKUGZPPTTWJCW-UHFFFAOYSA-N 298.349 3.651 30 20 CHED CCCCC(CC)=NNC(=S)NC1CCCCC1 732924150 OXBXEVSORCWEGR-UHFFFAOYSA-N 269.458 3.739 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cc([N+](=O)[O-])ccc1C 739411739 PIIZERQRZBQLOP-UHFFFAOYSA-N 294.314 3.611 30 20 CHED CC(CSC(C)(C)C)=NNc1cc(Cl)nc(C)n1 741763899 JTXXYDHRCARXCA-UHFFFAOYSA-N 286.832 3.758 30 20 CHED CCC(=NNc1cc(Cl)nc(C)n1)c1ccc(C)cc1 741767520 YCWMCXIAZDVELX-UHFFFAOYSA-N 288.782 3.973 30 20 CHED CC#CCN1CCC[C@H]1c1ccccc1C(F)(F)F 741783208 QXIXVOMSDHAYTC-AWEZNQCLSA-N 267.294 3.866 30 20 CHED CCCCCCCC(=O)N1CC[C@H](CN(C)CCC)C1 742882139 PXYIZHNKWJDFNQ-MRXNPFEDSA-N 282.472 3.537 30 20 CHED CON=C(CCSc1ccccn1)c1ccc(F)cc1 746683146 SACFOUWZTVAHNF-UHFFFAOYSA-N 290.363 3.754 30 20 CHED C#CC[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C)C(C)C 747196705 VJNPXXWSOFZRJP-OAHLLOKOSA-N 297.354 3.855 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C(C(C)C)C2CC2)o1 750937716 WDEOHXMHALMOFU-UHFFFAOYSA-N 274.368 3.579 30 20 CHED CCc1ncc(C=NNc2nc3ccccc3s2)s1 752157315 LXQCICUUZIXQCI-UHFFFAOYSA-N 288.401 3.761 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@@H](C)CCC(C)(C)C 754026260 OWGPLSUHIWIZFM-LBPRGKRZSA-N 289.375 3.935 30 20 CHED CCCCCCCCNC(=O)NCc1scnc1C 754851772 WTTZKKLIYNKEER-UHFFFAOYSA-N 283.441 3.611 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(Cl)cc1C)OCC 755430964 QOVZSCCIFKUJCQ-AWEZNQCLSA-N 282.767 3.925 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NN[C@@H](C)c1ccccc1 755665463 XQTMJGBVGSUHEX-ZDUSSCGKSA-N 298.434 3.940 30 20 CHED C=CCC[C@@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)O 756391758 ZYIBKCWUEUDPFN-MRXNPFEDSA-N 299.370 3.764 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1sccc1O 756620294 DIFPEXFZVIQETA-GQCTYLIASA-N 281.336 3.898 30 20 CHED Clc1c(C=NNC2CC2)sc2ccccc12 758133346 MJRKRHZMAZTTLD-UHFFFAOYSA-N 250.754 3.641 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(C#N)c2)cnc1Cl 760262908 MKHHLOFVHAYPJW-AATRIKPKSA-N 282.730 3.811 30 20 CHED C(=NNCc1cnc2ccccc2c1)[C@H]1C[C@H]2CC[C@H]1C2 762433318 DDYCTFVJRIQSBX-JLJPHGGASA-N 279.387 3.746 30 20 CHED Cc1cccc(C)c1NC(=S)Nc1cc(CC#N)ccn1 763169305 QCZFRDKQPKHWPV-UHFFFAOYSA-N 296.399 3.573 30 20 CHED CCCCCCC[S@@](=O)Cc1csc(COC)n1 764460053 CCTDUSMTUXAPOF-GOSISDBHSA-N 289.466 3.509 30 20 CHED Cc1ccc2oc(C(=O)Oc3ccc(C#N)c(C)c3)cc2n1 765094554 MBFMCPOVVXRUIC-UHFFFAOYSA-N 292.294 3.536 30 20 CHED C(C[C@@H]1CCOC1)=NNc1nc(-c2ccccc2)cs1 765568644 FUTLZBFFPHHYLJ-GFCCVEGCSA-N 287.388 3.634 30 20 CHED N#Cc1ccccc1COC(=O)[C@@H](c1ccccc1)C1CC1 765932840 QMWOYVIRHXQANN-SFHVURJKSA-N 291.350 3.795 30 20 CHED CC/C=C\CCn1ccc(-c2ccc(C#N)cc2)n1 768921953 IRLSVFGTGGMNCQ-ARJAWSKDSA-N 251.333 3.778 30 20 CHED COc1ccsc1C(C)=NNc1cc(Cl)ccn1 769798976 PFFHGZAPLSIEIN-UHFFFAOYSA-N 281.768 3.641 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2ccc(Cl)s2)ccc1F 769829516 RVVRQUDMGOMARW-UHFFFAOYSA-N 299.714 3.895 30 20 CHED N#CCCCOc1cccc(NC(=O)C2(F)CCCC2)c1 771931416 YXIXMGKDZZCXTE-UHFFFAOYSA-N 290.338 3.590 30 20 CHED C=C(Cl)CN[C@H]1CCCOc2cc(C)ccc21 773005120 OJEGIQVMHVWOMM-ZDUSSCGKSA-N 251.757 3.551 30 20 CHED C=C(CC)COC(=O)c1ccc(COC(C)C)cc1 773475957 MKRYLZZEPWWPQY-UHFFFAOYSA-N 262.349 3.735 30 20 CHED C#CCOc1ccccc1NCc1cnc(Cl)c(C)c1 775361150 HEMHDZRPAJFUKX-UHFFFAOYSA-N 286.762 3.668 30 20 CHED C[C@H](NCc1cc(C#N)cs1)c1ccc(N(C)C)cc1 775363270 MAHBGDOXCBUPND-LBPRGKRZSA-N 285.416 3.537 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)c1ccc(N(C)C)cc1 775837882 VBRWZGDYUOWKRO-CQSZACIVSA-N 273.424 3.733 30 20 CHED CCSc1ccc(CC(=O)OCCC(C)(C)C#N)cc1 776398770 OLFREXXNMBHFNA-UHFFFAOYSA-N 291.416 3.824 30 20 CHED N#CCc1ccccc1CC(=O)OCCCC1CCCC1 777161936 AWKXXQODKPPNJO-UHFFFAOYSA-N 285.387 3.809 30 20 CHED CCCCCCCCCCC(=O)N1CC(C(C)(C)O)C1 781865102 HYDMINHHENDJEJ-UHFFFAOYSA-N 283.456 3.747 30 20 CHED Cc1cc(C)c(NN=C2COCc3ccccc32)c(C)c1 782237852 DMMZRRYNOQZSKP-UHFFFAOYSA-N 280.371 3.958 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1nccc2ccccc12 782288273 OUBNCTVBCYYYIR-MRXNPFEDSA-N 267.376 3.737 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)Cc2c(O)cccc21 782324243 YARIUCQTIFVWKE-JXMROGBWSA-N 283.352 3.549 30 20 CHED C#CCCCCC(=O)Nc1cccc2ccc(O)cc12 782739466 AELKDQHCOMQLAH-UHFFFAOYSA-N 267.328 3.678 30 20 CHED CC[C@H]1CCC[C@@H](C=NNc2nccnc2Cl)C1 783846300 LSBQXDYWLCNMAJ-WDEREUQCSA-N 266.776 3.744 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1occc1C 783877609 MAFNXZIQZYDUJH-UHFFFAOYSA-N 273.723 3.949 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C(/C)c1ccccc1OC 785858312 ZYYGZZDLHKXHJW-SEWDUPMJSA-N 285.387 3.666 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)N1CC[C@@](F)(C#N)C1 786232928 JMURAHQOSPJUGZ-HZPDHXFCSA-N 282.403 3.837 30 20 CHED C#CCC1(C(=O)OCc2ccc(F)cc2C#N)CCCCC1 788213116 KSQFIXYLUAERHX-UHFFFAOYSA-N 299.345 3.714 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cncs2)c(Cl)c1 788359638 QEFHEGVATQMQCG-DUXPYHPUSA-N 274.732 3.564 30 20 CHED Clc1cccc(CNN=Cc2ccco2)c1Cl 790181569 RPAOIESDWVAQIQ-UHFFFAOYSA-N 269.131 3.710 30 20 CHED C=C[C@H](CC(=O)OCc1cc(C)ccn1)c1ccccc1 791433325 AGIWEKPTCNGGAY-OAHLLOKOSA-N 281.355 3.793 30 20 CHED Fc1ccc(C=NNCc2c(Cl)cccc2Cl)cn1 793118277 YFVQYVDMCZDUTM-UHFFFAOYSA-N 298.148 3.651 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)o1 794246479 LHRPJGBJAYHMGL-JSGCOSHPSA-N 288.391 3.734 30 20 CHED CC(C)c1ccc(CCCNC(=O)c2ccc(C#N)o2)cc1 794337035 TXGIHUROSVLRAR-UHFFFAOYSA-N 296.370 3.637 30 20 CHED CC(=NNc1ccccc1)c1ccc(Br)cn1 794446146 YRRSMSMCPXEJKE-UHFFFAOYSA-N 290.164 3.680 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccnn1C(C)C 794516254 RLCWQDFZXKRBAU-CQSZACIVSA-N 264.417 3.746 30 20 CHED N#Cc1cnccc1/C=C\c1cc(Cl)ccc1[N+](=O)[O-] 794712478 IZMLZYAXVSDGKS-UPHRSURJSA-N 285.690 3.685 30 20 CHED O=C(O)c1cccc(NN=Cc2ccc3occc3c2)c1 794854130 BUUWRFHBUSGXTN-UHFFFAOYSA-N 280.283 3.577 30 20 CHED COCCN(C)N=Cc1cc(C)n(C2CCCCC2)c1C 794969625 JAWFUNWZWVYPAT-UHFFFAOYSA-N 291.439 3.522 30 20 CHED CC(=NNc1ncccc1F)C1CCC(F)(F)CC1 794980816 PIPISRYDSFFHPM-UHFFFAOYSA-N 271.286 3.834 30 20 CHED CCCOc1ccc(C=NOCCCCF)cc1OC 795199758 NZSCRKMODPRBAN-UHFFFAOYSA-N 283.343 3.584 30 20 CHED C=C(C)CN(CCSC(C)(C)C)Cc1ccc(CO)o1 796383480 QTRPGUFLQUKORE-UHFFFAOYSA-N 297.464 3.682 30 20 CHED C#CCN(Cc1ccccc1)Cc1csc(C2CC2)n1 796638665 DTBJZJCPHPRDGN-UHFFFAOYSA-N 282.412 3.656 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)CCc1cnc2ccccc2c1 796830908 WIQHVYCNGPUVRK-INIZCTEOSA-N 296.370 3.649 30 20 CHED CC[C@@H](C)CCC(=O)O[C@@H](C)c1cccc(C#N)c1 796961304 GVDBSRYSYPPWJN-OLZOCXBDSA-N 259.349 3.989 30 20 CHED Cc1cc(C=NNc2ncnc(Cl)c2C(C)C)c(C)[nH]1 797405265 ZGYPDAGIUMTGAA-UHFFFAOYSA-N 291.786 3.644 30 20 CHED Oc1ccccc1/C=N\[C@H]1C[C@H](c2cccc(F)c2)C1 797784939 OQYJDOBPGQPHKJ-NTFZKEOQSA-N 269.319 3.896 30 20 CHED C#CCC1(C(=O)NC[C@@H]2CCC[C@@H]2C)CCCCC1 798683871 VXCBUNXSXPFUMK-GJZGRUSLSA-N 261.409 3.513 30 20 CHED C#C[C@@H](NC(=O)[C@@H](CC(C)C)c1ccccc1)C(C)C 799045924 XJXWSZJISOKEFZ-DLBZAZTESA-N 271.404 3.590 30 20 CHED Cc1ccc(C(=O)OCCCc2ccsc2)cc1C#N 799547755 VYOFWSCZVCOLJC-UHFFFAOYSA-N 285.368 3.718 30 20 CHED c1cc(NN=C2CCC23CCOCC3)c2ccncc2c1 799879198 UDIYMHXVNOLLQT-UHFFFAOYSA-N 281.359 3.593 30 20 CHED Cn1cc(-c2ccc(C=NOCc3ccccc3)s2)cn1 800810105 LLGTVFGXBPNMLZ-UHFFFAOYSA-N 297.383 3.699 30 20 CHED C[C@H]1CN(c2nc(Cl)c(C#N)s2)CC(C)(C)C1 804611538 VPIDCVFETBRLJW-MRVPVSSYSA-N 269.801 3.541 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 805344206 WFSQBSZHIOBAOZ-OIISXLGYSA-N 284.403 3.581 30 20 CHED C=CCCCCCCNC(=O)N1CCc2sccc2C1 806004075 BOYZYDHDQGCZMJ-UHFFFAOYSA-N 292.448 3.952 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(OCC(=C)C)c1 806254753 RTALZQHHBLEBQE-AWEZNQCLSA-N 286.375 3.565 30 20 CHED C=CCCCCCCCCN1C(=O)[C@@H](C)N(C2CC2)C1=O 806673329 FDJWAOKEHXUMKL-CQSZACIVSA-N 292.423 3.718 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@H](C)C(C)C 807571884 RXDLAXVUFFYYIC-CQSZACIVSA-N 254.418 3.809 30 20 CHED C=CCCCCCCCCNC(=O)N1CCCO[C@H](C)C1 807591992 KNCYOHYYLGOQPU-MRXNPFEDSA-N 296.455 3.724 30 20 CHED CC(=NOCc1cccnc1)c1c(F)cccc1Cl 807979711 WYUKCEOKUQJSSZ-UHFFFAOYSA-N 278.714 3.815 30 20 CHED CC(=NNCC1CCCC1)c1[nH]c(-c2ccccc2)nc1C 808006080 OFDPWCFIHOQIII-UHFFFAOYSA-N 296.418 3.889 30 20 CHED C=C(C)CNC(=S)Nc1cc(C)c(OC)cc1Cl 809163964 KUHRFCXECPQORH-UHFFFAOYSA-N 284.812 3.520 30 20 CHED CON(Cc1cccc(C#N)c1)Cc1ccccc1Cl 810138503 HQCAKLPFJMKWBH-UHFFFAOYSA-N 286.762 3.775 30 20 CHED Cc1ccc(C)c(/C=C2/Cc3c(O)cccc3C2=O)c1 810249443 ZUVXCMTUATXLHY-ZROIWOOFSA-N 264.324 3.831 30 20 CHED C#C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 811516651 QRUWFFZOLLGVFN-SFHVURJKSA-N 298.817 3.870 30 20 CHED CC(C)C1CCC(=NNC[C@H]2CCSC2)CC1 811659364 RQSZHUWWNSXNIJ-PZORYLMUSA-N 254.443 3.531 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1cccc(Cl)c1 811668501 OUVNJWZORHPMGE-ZDUSSCGKSA-N 288.778 3.731 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@H](OCC)C1 811926276 ACYKULUDXZJQCL-INIZCTEOSA-N 296.455 3.724 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)C1CC1 813220194 FVZUKTZJGKBLAC-OJIASSBASA-N 294.276 3.633 30 20 CHED N#C[C@@H]1CCCC(=NNc2ccc(C(F)(F)F)cn2)C1 814711898 ZYSGPVMAIUAANS-SECBINFHSA-N 282.269 3.582 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C2CC[C@H]2C2CCC2)o1 814822292 WGWIPYCJKBMQDN-NSHDSACASA-N 286.379 3.822 30 20 CHED COCc1cccc(C=NNc2ccc(F)c(F)c2F)c1 814945659 KHOORJOUVXKGMC-UHFFFAOYSA-N 294.276 3.696 30 20 CHED C=CCC(F)(F)C(=O)N1CCC(CCC(C)C)CC1 815796350 UDNQOOGOHDTYIK-UHFFFAOYSA-N 273.367 3.873 30 20 CHED C=CCC(F)(F)C(=O)N1CCCCc2c(OC)cccc21 815870960 WGUZNUSWISVOHR-UHFFFAOYSA-N 295.329 3.576 30 20 CHED N#Cc1ccc(SCC[C@H]2CC2(Cl)Cl)nc1 818075061 HUTPPCFFGHIAMV-VIFPVBQESA-N 273.188 3.629 30 20 CHED C#CCCCCCC(=O)Nc1ccc([C@H]2CCOC2)cc1 818732018 ZJXRHWWEDXVOAV-INIZCTEOSA-N 285.387 3.713 30 20 CHED N#Cc1sc(NC[C@@H]2C[C@H]2C2CCC2)nc1Cl 819934602 FWFWEBOSUAMHNQ-IUCAKERBSA-N 267.785 3.516 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCc2sccc2[C@@H]1CC 820634549 FODSDDQKSZHRTC-JSGCOSHPSA-N 290.432 3.569 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC)[C@H](C)Cc1ccsc1 820653851 BJSWAFXTWLRNFX-HIFRSBDPSA-N 292.448 3.513 30 20 CHED O=C1/C(=C/c2ccc3oncc3c2)CCc2cc(O)ccc21 821040249 WYZVMFCWQJZOFH-NTUHNPAUSA-N 291.306 3.746 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 822957765 ISOTXFGGHOKUDW-SUMWQHHRSA-N 282.387 3.654 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 834883645 NVPCACSQCKAWLW-ZDUSSCGKSA-N 288.391 3.506 30 20 CHED CC1(C#N)CCC(=NNc2cccc(C(F)(F)F)n2)CC1 834959110 LWGCPKQWVRBKKQ-UHFFFAOYSA-N 296.296 3.972 30 20 CHED C[C@@H](c1ccc(C(=O)O[C@H](C)CC#N)cc1)C(F)(F)F 835158788 KXZRKKOMJGEANZ-ZJUUUORDSA-N 285.265 3.811 30 20 CHED C=CCCCCCCCNC(=O)NCc1ccnc(C)c1 836462795 QKCBRWKQYUITQJ-UHFFFAOYSA-N 289.423 3.716 30 20 CHED COc1ccc(Cl)cc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 839059818 XQGUWGGSIZFMNH-PWSUYJOCSA-N 293.750 3.588 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(Cl)c1 839060842 YXYKDXVVANZWOI-RYUDHWBXSA-N 277.751 3.888 30 20 CHED C/C(=C\C1CCC(C)CC1)COC(=O)CSCC#N 842894541 SRSSRFASVWDCOM-UKTHLTGXSA-N 281.421 3.559 30 20 CHED COC(=O)[C@@H](C)c1ccc(-c2cccc(C)c2C#N)s1 844229541 BSVZSDNTZZAPQJ-NSHDSACASA-N 285.368 3.872 30 20 CHED Cc1ccc(/C=C2\CCc3nn(C)cc3C2=O)c(Cl)c1 844551694 GLTVMUAVXCMSRV-XYOKQWHBSA-N 286.762 3.594 30 20 CHED CC(C)CCCCCC(=O)N(C)c1ccc(C#N)nc1 844826862 WQSSJAQWGSFXOD-UHFFFAOYSA-N 273.380 3.523 30 20 CHED CC[C@H](C)c1ccc(NC(=N)NCC(C)(C)C#N)cc1 849017347 SRHFWIVZLGPAAH-LBPRGKRZSA-N 272.396 3.686 30 20 CHED CC(C)C[C@H](C)OCCC(=O)O[C@@H](C)CC(C)(C)C#N 851210830 YLFUQYLNZBURNN-KBPBESRZSA-N 283.412 3.699 30 20 CHED C=C[C@@H](OC(=O)c1cc(C(C)C)n(C)n1)c1ccccc1 851451427 HQMKCWNMFPJLFD-MRXNPFEDSA-N 284.359 3.628 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(Cl)cs2)C1 855437455 WYYUHAUIOOOWOV-JTQLQIEISA-N 269.797 3.830 30 20 CHED C=CC[C@@H]1CCCCC1=NNc1ncc(Cl)cn1 857221197 SWZNVHOMTNRWIR-SNVBAGLBSA-N 264.760 3.664 30 20 CHED C[C@@]1(C(=O)OCc2ccc(C#N)cc2F)C[C@H]2CC[C@H]1C2 860189212 YUMUITPKKQYPTC-PZSREKOKSA-N 287.334 3.567 30 20 CHED CCC[C@@H](C(=O)OC[C@@H](C)C#N)c1cccc(Cl)c1 860616655 XLNSBEFJQBRZCQ-SMDDNHRTSA-N 279.767 3.927 30 20 CHED CC(C)(C#N)COC(=O)CCc1ccc(Cl)c(F)c1 860645797 VHPJWOOSVJHHLP-UHFFFAOYSA-N 283.730 3.505 30 20 CHED C#CC[C@H](CCOC)NC1CCC(c2ccccc2)CC1 862547401 DYAQVGFIPKULNG-JLAWEPINSA-N 285.431 3.731 30 20 CHED CCOc1ccc(N(C)Cc2ccc(C#N)cc2C)cc1 864012262 ATLIFODPQZQSGY-UHFFFAOYSA-N 280.371 3.902 30 20 CHED N#CC[C@H](CC(=O)OC1CCSCC1)c1ccccc1 873556834 ROSRARBDLCQMCI-CQSZACIVSA-N 289.400 3.513 30 20 CHED N#Cc1cccc(CNc2ccc(OC3CCC3)c(F)c2)n1 876868531 FZZBLEYSFLTMIZ-UHFFFAOYSA-N 297.333 3.636 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc(Cl)cs2)C1 877624588 RAZSULUNZQMLKN-SNVBAGLBSA-N 256.802 3.585 30 20 CHED CCN(C(=O)Nc1cc(C#N)c(F)cc1F)[C@H](C)C(C)C 880715139 LABBOTHSZPPHQC-SNVBAGLBSA-N 295.333 3.735 30 20 CHED C[C@@H]1CC[C@@H](C)N1c1nccc(Oc2cccc(C#N)c2)n1 882083563 CDLYDZCHQLKUSX-CHWSQXEVSA-N 294.358 3.518 30 20 CHED C=CC(C)(C)CC(=O)NC1(C)CCC(F)(F)CC1 889913594 OTSXLUUOYXDQIJ-UHFFFAOYSA-N 259.340 3.673 30 20 CHED C=C1CCN(C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 894350250 ZSHDLIBZRNXOEN-ZDUSSCGKSA-N 284.359 3.855 30 20 CHED COc1ccc(C#N)cc1NCc1cccc2c1NCCC2 894423555 UFSWHDMHZRKWCF-UHFFFAOYSA-N 293.370 3.537 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc([S@@](C)(=O)=NC)c1 895736084 PLQWEOUPWRBOST-WTOJCKNJSA-N 280.437 3.786 30 20 CHED C#Cc1ccc(NCc2c(C)nn(C(C)(C)C)c2C)cc1 898504584 HRABBHNCELDEHY-UHFFFAOYSA-N 281.403 3.848 30 20 CHED C=C1CN(C(=O)CCCc2ccc3ccccc3c2)C1 898699281 FHGQEXTULSGWKG-UHFFFAOYSA-N 265.356 3.561 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cnn(C3CCC3)c1)C2 899354493 HJPXODZTKDMSJC-OVCLIPMQSA-N 278.355 3.739 30 20 CHED CCCCCCCC[C@H](N)c1nc(C2CC2)no1 899998755 ULIJCUHPFXMYPZ-LBPRGKRZSA-N 251.374 3.697 30 20 CHED CC(C)CCC(=O)N(O)Cc1cccc2ccccc12 901370927 OBTGAECCXPXJSP-UHFFFAOYSA-N 271.360 3.994 30 20 CHED CC[C@@H](N[C@@H](C)c1cnn(CC)c1)c1cccc(C#N)c1 903011413 DZSSNXVROXFRBT-SUMWQHHRSA-N 282.391 3.577 30 20 CHED C#Cc1ccc(C(=O)N(CC)[C@@H](C)Cc2ccsc2)cc1 907548504 ADCDAYPCDGWFTO-AWEZNQCLSA-N 297.423 3.823 30 20 CHED FC(F)(F)c1ccc(CNN=Cc2cccs2)cc1 915973027 ZSOZYWMNDVYCFE-UHFFFAOYSA-N 284.306 3.891 30 20 CHED CC(=NNCc1ccccc1)c1cccc(Cl)c1 916344648 XIZSMCCZIUCUJR-UHFFFAOYSA-N 258.752 3.854 30 20 CHED CCCCCCCOC(=O)c1sc(C)nc1C 918493398 RVRXHZFVQIGTGP-UHFFFAOYSA-N 255.383 3.887 30 20 CHED Cc1cccc2c1OCCC2=NN[C@H](C)c1ccccc1 920383405 VHUWVNTXZKWFQE-CQSZACIVSA-N 280.371 3.832 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(C)cc1O 920386119 QMTYCWSPPMUEJV-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C[C@H](NN=C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 920386380 YYRRQGFCCPHZJO-YDVADZSSSA-N 295.342 3.945 30 20 CHED COc1cccc(/C=C2/Cc3cc(C)ccc3C2=O)c1 921264645 WQSHSVSIOYTSMK-DHDCSXOGSA-N 264.324 3.826 30 20 CHED CCOCc1cccc(N[C@H](C)CC(C)(C)C#N)c1 925917338 DJLHLUNMPPSILY-CYBMUJFWSA-N 260.381 3.963 30 20 CHED CCc1ncc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 929756635 IIOHRJFGDOELRS-IAGOWNOFSA-N 295.386 3.509 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H]1C1CCCC1 930395737 JLTPVNIMMIZIGA-QGZVFWFLSA-N 282.387 3.662 30 20 CHED C#Cc1ccc(NC(=O)Nc2cnn(C3CCCC3)c2)cc1 934917298 ALZGBIZJNCQOSP-UHFFFAOYSA-N 294.358 3.624 30 20 CHED Fc1ccc(CNN=Cc2ccc(N3CCCC3)cc2)cc1 1116287896 CSKARFPFDCZCJX-UHFFFAOYSA-N 297.377 3.550 30 20 CHED C=C(C)CCC(=O)N[C@@H](COC)c1cccc(Cl)c1 1121187968 NOZCMKJFBLRUGV-AWEZNQCLSA-N 281.783 3.500 30 20 CHED COc1cc(C)cc(NC(=O)c2ccc(C#N)cc2F)c1C 1132196750 IJWXACPROJXEHA-UHFFFAOYSA-N 298.317 3.575 30 20 CHED CN(c1ccnc(C#N)c1)C1CCC(C(C)(C)C)CC1 1185074080 YKFSPFSCNVFIIN-UHFFFAOYSA-N 271.408 3.994 30 20 CHED Cc1c([C@H](C)Nc2ccc(OCC#N)cc2)cnn1C(C)C 1255574046 MOUQVHHCMWLOFZ-ZDUSSCGKSA-N 298.390 3.848 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1264187815 JZQGZXCAMWEOHM-BMIGLBTASA-N 276.767 3.976 30 20 CHED O=C(CC#Cc1ccccc1)OC/C=C\c1ccccc1 1319674329 RIEXTARKBKUXPK-ZSOIEALJSA-N 276.335 3.685 30 20 CHED Cc1cc(C=NOC(C)(C)C)c(C)n1Cc1ccco1 1319685513 UPDBCLBBBZAPNU-UHFFFAOYSA-N 274.364 3.895 30 20 CHED CC(=NOC(C)(C)C)c1ncc(Br)cc1F 1320445366 IQMWBLILTZQAER-UHFFFAOYSA-N 289.148 3.522 30 20 CHED CC[C@H](C#N)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1320641861 KHBBVNQHYUCRNL-SECBINFHSA-N 276.723 3.589 30 20 CHED C#CCCCCCC(=O)N[C@@H](CC)CNc1ccccc1 1324772816 VFOHFIMUBMHERG-INIZCTEOSA-N 286.419 3.577 30 20 CHED Cc1ccc(CN(C)C(=O)CC#Cc2ccccc2)cc1C 1325048567 WWSVNVSKJFTHMI-UHFFFAOYSA-N 291.394 3.704 30 20 CHED C#CCCN(Cc1csc(C(C)C)n1)CC(F)(F)F 1325602527 VLNJNVAQZQDIHB-UHFFFAOYSA-N 290.354 3.654 30 20 CHED CCC1(CC)CCN(C(=O)c2csc(C#N)c2)CC1 1330593279 WVPHPUZLHZPTNZ-UHFFFAOYSA-N 276.405 3.662 30 20 CHED C=CCSc1ccccc1C(=O)NCCCC(F)F 1333626611 RPSIDJGHLIHYET-UHFFFAOYSA-N 285.359 3.740 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 1336963032 DLTZDRKBGXUZRR-KBPBESRZSA-N 261.365 3.936 30 20 CHED C=C(C)CCC(=O)N(CC)c1ccc2[nH]ccc2c1 1337186936 AMKNVIGQAFVAOC-UHFFFAOYSA-N 256.349 3.877 30 20 CHED CN(C)[C@@H]1CCCC[C@@H]1/N=C\c1c(O)ccc2ccccc12 1338806179 KMVMWZNNFGHHID-HUKQRPNASA-N 296.414 3.837 30 20 CHED CC(C)CC1(C(=O)OCc2ccc(C#N)cn2)CCCC1 1339109826 GIMJGYDKSSPPGJ-UHFFFAOYSA-N 286.375 3.603 30 20 CHED Cc1nc(N2CCCCC2)sc1C=NOC/C=C/Cl 1343573375 YTMGHIVMCUHTAU-WHWHSIQXSA-N 299.827 3.545 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)c1noc(C)n1 1347237954 HYKKYGMCFBPSOO-NWDGAFQWSA-N 251.374 3.554 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C(C)(C)Cc1cccc(Cl)c1 1350036554 HHPQIOWKCFAVNR-LBPRGKRZSA-N 292.810 3.669 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)c1ccsc1Cl 1353372177 RKMULADUMPJGEK-UHFFFAOYSA-N 290.775 3.545 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCC[C@H](C)CC1 1356019132 JQIKWJOKMBHDNP-QWHCGFSZSA-N 294.468 3.515 30 20 CHED N#CCc1cccc(NC(=O)[C@H]2CCc3cc(F)ccc32)c1 1436285123 LEZRWGHYPBMWTB-KRWDZBQOSA-N 294.329 3.560 30 20 CHED C=C(C)CCC(=O)OC[C@@H]1CCO[C@H]1c1ccccc1 1518160829 PSFATZCSISZLCG-RDJZCZTQSA-N 274.360 3.664 30 20 CHED CSc1cc(NC(=O)c2ccc(C#N)o2)ccc1Cl 1525464156 ONRCYKCUQUXXGK-UHFFFAOYSA-N 292.747 3.779 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H]1CC[C@H](C)C[C@@H]1C 1538683897 IZCFSANFAVSJQA-DETPVDSQSA-N 271.360 3.848 30 20 CHED C[C@H](OC(=O)[C@H]1CC2CCC1CC2)c1cccc(C#N)c1 1544187569 HEXDDXCGOMLKHF-JDDSVCBVSA-N 283.371 3.989 30 20 CHED C[C@@H]1C[C@@H](C)CN(CCSc2ccc(C#N)cc2)C1 1559362211 WPYRIEAIEFBFBT-ZIAGYGMSSA-N 274.433 3.628 30 20 CHED Cc1cc(C)c([C@H](C)N2CCC[C@@H](C#N)C2)c(C)c1 1560130247 NWHWDCXZBBCIJB-HOTGVXAUSA-N 256.393 3.908 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)cc2)[C@@H]1C 1560456447 WGZVFPKHBXPKPW-CPUCHLNUSA-N 256.393 3.720 30 20 CHED CC(C)N(C(=O)c1cccc(C#N)c1)c1cccc(F)c1 1587772543 XRZOOTWPFCAMOM-UHFFFAOYSA-N 282.318 3.753 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc(C(=O)O)c(Cl)c1 1588692608 FRQQCUAQJOJKGQ-VIFPVBQESA-N 282.723 3.546 30 20 CHED CCCc1ccc(C(=O)/C=C/c2ccoc2C(=O)O)cc1 1596058416 KUYNIVGRQPYCOI-CMDGGOBGSA-N 284.311 3.826 30 20 CHED C=CCCCS[C@H](Cc1ccc(C)cc1)C(=O)O 1602880673 XDYQLBKZABLNHE-CQSZACIVSA-N 264.390 3.690 30 20 CHED CCc1ccc2c(c1)CCN2c1snc(C)c1C#N 1640520515 CJRPGFMZYGRZON-UHFFFAOYSA-N 269.373 3.580 30 20 CHED Cc1cc(N[C@@H]2C[C@H]2C2CCCCC2)ncc1C#N 1650804256 XHYZEPWJOLFGNG-LSDHHAIUSA-N 255.365 3.642 30 20 CHED Cc1ccc(C[C@H]2CCCN(CC3(CC#N)CC3)C2)cc1 1652398111 XHLVHTXQEPKBEF-GOSISDBHSA-N 282.431 3.943 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CCCC(C)(C)C1 1657717953 XFJCIQFTAUNOSY-CYBMUJFWSA-N 258.365 3.948 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CC#N)c2)cc1 1677654381 XUXBVFOQQKLWEX-CQSZACIVSA-N 293.370 3.944 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2ccccc2F)cc1F 1776131618 WRTNNRKEUFSIRL-SOFGYWHQSA-N 288.249 3.559 30 20 CHED C=CCCCCN(C)Cc1ccc(C(=O)O)c2cccnc12 1776174962 QRXPAMLUTJYNFW-UHFFFAOYSA-N 298.386 3.721 30 20 CHED CC[C@H](CNCc1ccc(C#N)s1)c1ccccc1 176942326 JZMKCKJVNAQMBM-CYBMUJFWSA-N 270.401 3.903 30 20 CHED C[C@@H](NC[C@@H]1CCc2ccccc21)c1ccc(C#N)cc1 174075941 OELNAXDELYFZNG-KDOFPFPSSA-N 276.383 3.939 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(F)cc1C#N 102971827 LVMZAIVFQGMTNY-UHFFFAOYSA-N 296.301 3.547 30 20 CHED C=CCCCCNC[C@@H](O)c1cccc(C(F)(F)F)c1 312328323 TWBGFIUWRVKAED-CQSZACIVSA-N 287.325 3.685 30 20 CHED CCOc1ccccc1C(=O)N(CC)c1ccc(C#N)cc1 174071951 DTRPDXJDCNXKMR-UHFFFAOYSA-N 294.354 3.624 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC)Cc1ccccc1 170818386 WSMZRFLUNGZAEI-INIZCTEOSA-N 274.408 3.615 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1 111746470 UNAYTBYALCFVOT-UHFFFAOYSA-N 269.348 3.598 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc3ccccc3n2)CC1 177913134 RZQPJSAQWDJQQQ-HNNXBMFYSA-N 295.430 3.536 30 20 CHED C[C@@H]1CC[C@H](N(C)c2ccc(C(F)(F)F)c(C#N)n2)C1 409653504 RLTMFBSIJJWDQE-ZJUUUORDSA-N 283.297 3.597 30 20 CHED Cc1cc(C#N)cc(NC2CCN(c3ccccc3)CC2)c1 308154039 NGQJBBAANLFJPG-UHFFFAOYSA-N 291.398 3.948 30 20 CHED Cc1ncccc1/C=C1\CSc2ccc(F)cc2C1=O 171418670 VFBZNAYEEDVENV-KPKJPENVSA-N 285.343 3.901 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc2scnc2c1 302763700 YZDSFQSPNLOPQF-UHFFFAOYSA-N 296.311 3.820 30 20 CHED Cc1cccc(C/N=C(\N)Nc2ccc(OC(C)C)cc2)c1 303785320 QEPIGKMJHLBNGL-UHFFFAOYSA-N 297.402 3.709 30 20 CHED N#Cc1ccccc1CNc1cccc(Br)c1 20051828 XGBYWCCFOVMLCH-UHFFFAOYSA-N 287.160 3.933 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(Br)ccc1C 117001652 HAIKXMHYDDKLKJ-JTQLQIEISA-N 297.196 3.844 30 20 CHED CCO[C@H]1C[C@H](NCC(C)(C)CCC#N)C1(CC)CC 175037239 QUIJOZVOFHNABP-GJZGRUSLSA-N 280.456 3.890 30 20 CHED N#Cc1ccc(CN(Cc2ccccc2F)C2CC2)cc1 67445696 GMNCLHNZSZWVJT-UHFFFAOYSA-N 280.346 3.862 30 20 CHED C=CCCCC(=O)N(Cc1ccccc1F)C1CC1 175127309 YWFKIJIEPWQMPW-UHFFFAOYSA-N 261.340 3.673 30 20 CHED CCOc1ccccc1[C@@H](CC)Nc1ccc(C#N)cn1 301150069 ODUWBMAQXRJXLO-OAHLLOKOSA-N 281.359 3.915 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)o1 176680287 MASBRDVCWNNCBB-VMPITWQZSA-N 286.327 3.755 30 20 CHED C#CCCCCC(=O)N1C[C@H](C(C)C)Nc2ccccc21 179862373 PMDXWKKHIURTKG-MRXNPFEDSA-N 284.403 3.663 30 20 CHED Oc1ccccc1/C=N/C[C@H](O)c1cc2ccccc2s1 305015917 SYLQKHGZIDAFKG-ZNBBLSJYSA-N 297.379 3.759 30 20 CHED C[C@@H](CNc1ccc(F)cc1C#N)Oc1cccc(F)c1 301466819 QGTONUPEPDHXIQ-NSHDSACASA-N 288.297 3.716 30 20 CHED Cc1ccsc1-c1nnc(SCCCCC#N)o1 122644722 WYJQGLFCIYYYBG-UHFFFAOYSA-N 279.390 3.893 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)c1ccccc1 122694288 SCCRFVJOMJUMGZ-OCCSQVGLSA-N 289.338 3.543 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(C#N)c(C#N)c1 173099721 LVQPJSUYWRHTBQ-LBPRGKRZSA-N 269.348 3.585 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(OCCC(C)C)cc1 183847871 AMHRYPUPWAITPL-OAHLLOKOSA-N 288.391 3.534 30 20 CHED C=CCC[C@@H](NCc1ccccc1-n1ccnc1)C1CC1 120463710 JGMGZOFDDZCUJK-QGZVFWFLSA-N 281.403 3.707 30 20 CHED CCOc1cc2nccc(NC[C@@H](C)C#N)c2cc1OCC 302056963 RCHVFELOGZGPQQ-LBPRGKRZSA-N 299.374 3.604 30 20 CHED C[C@]1(C/N=C/c2cc(Cl)ccc2O)CCCS1 121018357 ZVHROKDMIKCPFN-MGMWDDNKSA-N 269.797 3.750 30 20 CHED C=C[C@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 122254188 YTBISLDSCVPCAH-OAHLLOKOSA-N 283.346 3.802 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(Cl)nc1Cl 122308405 BLMZNAUZIABHGN-UHFFFAOYSA-N 298.154 3.574 30 20 CHED O=C(/C=C/c1cnn(-c2ccccc2)c1)c1sccc1O 184516964 UXWXYVLRACGIEX-VOTSOKGWSA-N 296.351 3.536 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2ccc[nH]2)c(Cl)c1 439440027 PHDRDMPPANULPD-INIZCTEOSA-N 285.778 3.877 30 20 CHED C[C@@H](CNc1ccc(C#N)cn1)Sc1ccccc1 78505507 OXXSGKKUJMBZGM-LBPRGKRZSA-N 269.373 3.546 30 20 CHED C=CCn1c(CC(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1 508919320 HEHGQCGFTBAFBQ-CQSZACIVSA-N 290.455 3.535 30 20 CHED C=CCN(Cc1cccc(Cl)n1)Cc1cccs1 75593227 FCEFXLGXKKUJKJ-UHFFFAOYSA-N 278.808 3.985 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc2c(s1)CCCCCC2 522960911 FSQXYTUFYRZKHO-CYBMUJFWSA-N 290.432 3.829 30 20 CHED C=CC[C@@H](CC)NC(=O)c1sc(C(C)(C)C)nc1C 410124384 SQWUOTUUEQXSQT-LLVKDONJSA-N 280.437 3.834 30 20 CHED C[C@H]1CCCN(c2cc(C(F)(F)F)cnc2C#N)CC1 413095058 MMHAWALMSIANKZ-JTQLQIEISA-N 283.297 3.598 30 20 CHED CC[C@@H](C)N(C(=O)Cc1ccc(C#N)cc1)[C@H](C)CC 184952292 WAENNFDHAMALHK-ZIAGYGMSSA-N 272.392 3.526 30 20 CHED C=CC1CCN(Cc2nc3ccc(OC)cc3s2)CC1 187017314 YRPYEHAEJRYALU-UHFFFAOYSA-N 288.416 3.703 30 20 CHED CC(C)c1nccc(Sc2cccc(C#N)c2)n1 129367242 KVEMEGKYIIULRK-UHFFFAOYSA-N 255.346 3.623 30 20 CHED C#CCSCCNc1ncc(C(F)(F)F)cc1Cl 218965889 WVGRIFHSEGXZKA-UHFFFAOYSA-N 294.729 3.532 30 20 CHED C=CCCC1(C(=O)Nc2ccccc2OCCF)CC1 411011692 NHOWJYKTPRZTCW-UHFFFAOYSA-N 277.339 3.720 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(C#N)c1C 509564917 XLZXMFLYAXXRGC-SFHVURJKSA-N 290.366 3.592 30 20 CHED C=C[C@@H](CC)OC(=O)Cc1c[nH]c2c(C)cccc12 181249381 VMFYFSVOXLEMCJ-ZDUSSCGKSA-N 257.333 3.527 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 410830024 SYKUXZYTBHYKNO-FPCVCCKLSA-N 294.439 3.511 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1[N+](=O)[O-] 211365576 DUQPVQRPFQYDGA-WTKPLQERSA-N 283.283 3.505 30 20 CHED C=C(C)CN(CC)C(=O)CNc1c(C)cccc1SC 185429398 PDNZLYUIABJGMX-UHFFFAOYSA-N 292.448 3.553 30 20 CHED Cc1cc2occ(C(=O)OCC(C)(C)C#N)c2cc1C 187549405 HUIHMEOKTRBNQR-UHFFFAOYSA-N 271.316 3.756 30 20 CHED C=CCSCCNC(=O)c1ccc(O[C@@H](C)CC)cc1 508903721 GQEPTBKGVWSYJW-ZDUSSCGKSA-N 293.432 3.513 30 20 CHED Cc1c(C(=O)/C=C/c2ccsc2)cnn1C(C)C 188883725 AJDGEPMVVRVAQG-SNAWJCMRSA-N 260.362 3.730 30 20 CHED C=CC[C@H](CC)NC(=O)c1cscc1Br 285866099 HPYOXEXBEFGVLS-QMMMGPOBSA-N 288.210 3.595 30 20 CHED N#Cc1c(F)cccc1Oc1nc2cc(F)ccc2o1 133517375 UOUQQDMAGQKECG-UHFFFAOYSA-N 272.210 3.770 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)s1 131307308 DEBQTQWIYQKGQV-DYVFJYSZSA-N 282.412 3.998 30 20 CHED COc1cc(CNc2ccccc2C#N)c2c(c1)C[C@@H](C)O2 414302363 KQGSVBACRGCGIX-GFCCVEGCSA-N 294.354 3.502 30 20 CHED C=CCC1(c2nc([C@@H](N)CC(C)C)no2)CCCCC1 414628524 SIBDHMVABOGAEZ-ZDUSSCGKSA-N 277.412 3.894 30 20 CHED C#CCC(C)(C)COC(=O)Cc1c(C)[nH]c2ccccc12 185363212 JVOVITUVVMUUFW-UHFFFAOYSA-N 283.371 3.612 30 20 CHED Cc1cc(N2CCCC2)ccc1Nc1ccc(C#N)cn1 42817291 KGZUGXRGLBFFCW-UHFFFAOYSA-N 278.359 3.606 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)c1ncc(C#N)cc1F 413304783 SRYWKNYXUKZZDX-INIZCTEOSA-N 299.349 3.688 30 20 CHED C=CCC[C@H](C)NC[C@@H]1C[C@H]1c1cccc(OC)c1 414340241 MFQMQZQHCNSYQQ-QRTARXTBSA-N 259.393 3.743 30 20 CHED N#CCC1(COc2cccc(C(F)(F)F)c2)CC1 88272094 HYRFWNLBLLCHCE-UHFFFAOYSA-N 255.239 3.778 30 20 CHED Cc1ncsc1CCSCc1cccc(C#N)c1F 507132500 SPVJZSZDLSGZRC-UHFFFAOYSA-N 292.404 3.938 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(OCC(C)C)c1 410126906 GCQLAYXWLRVBMC-OAHLLOKOSA-N 275.392 3.806 30 20 CHED Cc1cc(N=C(O)[C@H]2CCCCS2)cc2n[nH]cc12 329308876 BTXGCFGVMGFNOG-CYBMUJFWSA-N 275.377 3.745 30 20 CHED C[C@]1(C#N)CCCN(Cc2sccc2Br)C1 612160629 KEOHBJGYPVGLHT-GFCCVEGCSA-N 299.237 3.636 30 20 CHED CC(C)c1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 612244213 BGLGXMVVSPABBG-KRWDZBQOSA-N 270.376 3.576 30 20 CHED N#Cc1ccc(/C=C/c2cccc(Br)c2)nc1 193445332 AXKXOZOOSXVKTB-GQCTYLIASA-N 285.144 3.886 30 20 CHED C[C@H](c1ccco1)N(C(=O)Nc1ccc(C#N)cc1)C1CC1 86164943 FYXKYZOTLVNWPJ-GFCCVEGCSA-N 295.342 3.909 30 20 CHED CCC(CC)CN(CC)C(=O)CCc1ccc(C#N)cc1 42918927 YPQPDHXXWPXBPH-UHFFFAOYSA-N 286.419 3.776 30 20 CHED COc1cc(C)cc(C/N=C(/N)Nc2ccc(C)c(C)c2)c1 130655456 SCVHVLQHPNSECK-UHFFFAOYSA-N 297.402 3.547 30 20 CHED CCC[C@H](Nc1cncc(C#N)n1)c1ccc(F)cc1F 420604130 RIPLMKBECZNULD-AWEZNQCLSA-N 288.301 3.580 30 20 CHED CCO[C@@H](CNCc1ccc(C#N)c(F)c1)c1ccccc1 421382970 JGVJVLWEJZWCEG-SFHVURJKSA-N 298.361 3.565 30 20 CHED CC(C)(C#N)CCCNc1ccccc1-n1cccn1 133684076 SVXBTFVAILQQBG-UHFFFAOYSA-N 268.364 3.614 30 20 CHED CC(C)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 49130931 LHBWJVGAHXFNSH-AWEZNQCLSA-N 291.782 3.864 30 20 CHED C=CCC[C@@H](NC(=O)CC[C@H]1CCOC1)c1ccccc1 133752602 ZXBPENQVXYFVMI-DOTOQJQBSA-N 287.403 3.627 30 20 CHED CC[C@H](C#N)OC(=O)CSc1ccc2ccccc2c1 84698169 RPTIXMLIALJCAS-CQSZACIVSA-N 285.368 3.777 30 20 CHED C=C(C)COCCN[C@H](C)c1csc(Cl)c1 191380771 YFEZGYXTZZUPPI-SNVBAGLBSA-N 259.802 3.645 30 20 CHED C[C@H](SCc1noc(C2CC2)n1)c1cccc(C#N)c1 190804677 YZBDNNXXUIXNEW-JTQLQIEISA-N 285.372 3.813 30 20 CHED CC(C)COc1ccc(OC(=O)C2(C#N)CCCC2)cc1 191791130 VALPCVBEDQNIEG-UHFFFAOYSA-N 287.359 3.711 30 20 CHED CCC[C@@](C)(CC)C(=O)N1CCc2c(C#N)cccc21 421655142 FWQYOFYSSCRWSD-QGZVFWFLSA-N 270.376 3.664 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)o1)[C@H](C)CCC 429816852 INGDCSNNDRMEIZ-CYBMUJFWSA-N 276.380 3.972 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(CC#N)c1 81180067 NLWKSBHBCMENHO-YOEHRIQHSA-N 284.403 3.793 30 20 CHED CC(C)c1ccc(N/C(O)=N/[C@@H]2CCC[C@@H]2C#N)cc1 330766685 KUPQUVSLNUBXAF-UKRRQHHQSA-N 271.364 3.828 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1cccc2[nH]ccc12 427191023 WTJGJVHHYKTDII-QGZVFWFLSA-N 270.376 3.729 30 20 CHED C[C@@H](CCc1ccc(O)cc1)N[C@H](C)c1cccc(C#N)c1 193021190 ADTNCKRERHSQRP-LSDHHAIUSA-N 294.398 3.936 30 20 CHED Cc1cc(F)cc2c1CN(Cc1ccc(F)cc1C#N)CC2 337419058 SXAUXUNURJEURB-UHFFFAOYSA-N 298.336 3.703 30 20 CHED C=CCC[C@@H](NC(=O)C[C@@H](C)n1cccn1)c1ccccc1 424730846 FIDPNMJCOULNHL-NVXWUHKLSA-N 297.402 3.658 30 20 CHED N#Cc1ccn(Cc2coc(-c3ccc(Cl)cc3)n2)c1 339194670 VMZDSADPXQADQH-UHFFFAOYSA-N 283.718 3.716 30 20 CHED C=CC[C@H](CC)Nc1cncc(-c2cccs2)n1 338714648 UVAKHWOAJBRRPT-NSHDSACASA-N 259.378 3.972 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)Cn2ccc3ccccc32)CC1 511683714 SLTHTSFMUMFKLD-HNNXBMFYSA-N 296.414 3.702 30 20 CHED N#CCC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 335699241 GZYONYULOWXNNL-UHFFFAOYSA-N 293.292 3.707 30 20 CHED C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 424575088 VNGNAVVTVUXXGN-XEZPLFJOSA-N 270.376 3.562 30 20 CHED CC(C)c1nc(CNCC(C)(C)CCC#N)c2ccccn12 516187297 PMVLYVUNHYKWRB-UHFFFAOYSA-N 298.434 3.877 30 20 CHED CN(C)c1cccc([C@@H]2CCCN2[C@@H]2CC[C@@H](C#N)C2)c1 339006001 MKXVASQTQRFKRR-OLMNPRSZSA-N 283.419 3.582 30 20 CHED CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 335003921 DROZMNNZYSQZGB-SJORKVTESA-N 296.414 3.528 30 20 CHED N#Cc1cccnc1N[C@@H]1CCCc2ccc(F)cc21 92964337 YUUIEHJVTHRMEK-OAHLLOKOSA-N 267.307 3.582 30 20 CHED N#CCCN(Cc1cc(Cl)cc(Cl)c1O)CC1CC1 93091427 QAKLCTLCFOYTNV-UHFFFAOYSA-N 299.201 3.825 30 20 CHED CCN(Cc1ccc(C)cc1Br)C[C@H](C)C#N 91983589 ULBHAIKIZRSEEG-GFCCVEGCSA-N 295.224 3.739 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1ccc(SC)cc1 92199235 CIYUXLHWBMDROV-JXMROGBWSA-N 286.400 3.601 30 20 CHED C=CCCCSc1n[nH]c(=Nc2cccc(F)c2)s1 522747423 CYVYCSZGLQILNS-UHFFFAOYSA-N 295.408 3.901 30 20 CHED N#Cc1ccc(OCc2ccc(C(F)(F)F)cn2)cc1F 340602365 ZWOKOFCHUNTVPS-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1Cc1cc(C#N)n(C)c1 343653083 DQVBWAUIVZJCNN-MAUKXSAKSA-N 293.414 3.665 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(Cl)c(Cl)cn1 439381287 UHWCFKHHOQOQSN-MRVPVSSYSA-N 288.178 3.865 30 20 CHED COc1ccc(C)cc1[C@@H](C)Nc1nccc(C)c1C#N 343521668 DUDJGHDQCAOAGC-CYBMUJFWSA-N 281.359 3.752 30 20 CHED C=CC[C@H]1N(C(=O)CCc2ccco2)CCCC1(C)C 347432222 OEDXJQHNUBXFIO-OAHLLOKOSA-N 275.392 3.806 30 20 CHED C=C(C)CCc1noc(-c2ccc(O)c(Cl)c2)n1 436685652 CYARTJXTGHHJCM-UHFFFAOYSA-N 264.712 3.604 30 20 CHED Cc1nnc(Sc2ccc(F)c(Cl)c2)c(C#N)c1C 603489989 ZDWPXNZKXRWLCT-UHFFFAOYSA-N 293.754 3.909 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2cncs2)n1 340791408 CYSDANHVMSOBKU-AATRIKPKSA-N 261.350 3.550 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cccc(C#N)c1 437654476 WQPLXWHYGBABTH-CZUORRHYSA-N 285.391 3.991 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 433385000 XFMDICWTEKFBLP-ZWKOTPCHSA-N 298.430 3.654 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H]2CCc3ccccc32)n1 347315588 OYORTBHIFISIQO-HNNXBMFYSA-N 277.371 3.712 30 20 CHED CC1=C(C(=O)N[C@@H](CCC#N)c2ccccc2)CCC1 439676286 WTGCKXDEPMFENQ-INIZCTEOSA-N 268.360 3.648 30 20 CHED Cc1ccccc1C=NOCc1ccc(Cl)nc1 255002577 JEXGAFDCQCXVJM-UHFFFAOYSA-N 260.724 3.594 30 20 CHED C=CCOc1ccc(-c2nc([C@@H]3CC[C@@H](C)O3)no2)cc1 528248421 HPQBHKQOJWVRQZ-RISCZKNCSA-N 286.331 3.541 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(Cl)cc(F)c1F 441608107 GZFZHJJALXCTLX-MRVPVSSYSA-N 289.709 3.538 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 449952942 XIEWXTLUYZVRCA-ZBFHGGJFSA-N 271.404 3.851 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)Oc1cccc(F)c1 449169524 OSJZTBFPNURCGL-BZOOQXSSSA-N 290.382 3.655 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)c1cccc(Cl)c1Cl 449891871 MHOJVCPMHNKFQJ-UINNMSKDSA-N 297.185 3.720 30 20 CHED CC(C)(C)CCC(=O)Nc1cc(C#N)ccc1NC1CC1 355643995 OACYQTIZPFTHLJ-UHFFFAOYSA-N 285.391 3.897 30 20 CHED CC#CCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 536528565 FYCGYUFIXBZBHS-UHFFFAOYSA-N 296.197 3.555 30 20 CHED CC[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 359999981 JLOMBWRXGUFLFN-KBXCAEBGSA-N 292.382 3.929 30 20 CHED C=CCCC1(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 354607311 UCBWVAZAYVWUJJ-UHFFFAOYSA-N 287.378 3.720 30 20 CHED N#CC1(F)CCN(CCCSCc2ccccc2)CC1 352485501 YWFBWURRGHEHSO-UHFFFAOYSA-N 292.423 3.638 30 20 CHED Cc1cc(C)c2c(c1)N(CCC(C)(C)C#N)CCC2 539566842 XMNJLNNWFBWGIY-UHFFFAOYSA-N 256.393 3.996 30 20 CHED N#CCN[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 538323779 UOSQDXUFOJLYHE-LBPRGKRZSA-N 288.700 3.923 30 20 CHED CCN(C[C@@H](C)C#N)C[C@H](C)CCc1ccccc1 537207014 NSAXIRLRMOVQJW-CVEARBPZSA-N 258.409 3.737 30 20 CHED CS[C@@H](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 358936623 VIDLZRYSTBTOAG-VIFPVBQESA-N 294.445 3.579 30 20 CHED CCOc1ccccc1CNC1CCC(C)(C#N)CC1 449088694 BTKXIJCYVIYCGB-UHFFFAOYSA-N 272.392 3.647 30 20 CHED Cc1c(C#N)cccc1NCc1cc2ccccc2[nH]1 619073884 IUTPMCIMFMNHFD-UHFFFAOYSA-N 261.328 3.960 30 20 CHED C=CCC[C@H](NCc1scnc1C)c1ccco1 356091808 MPYWGRNFZNGAAT-LBPRGKRZSA-N 262.378 3.842 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 356156725 SURVUHZCTBKHBR-UHFFFAOYSA-N 269.266 3.789 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 449699419 QNAIGCWQUPKSSO-QNWHQSFQSA-N 299.867 3.810 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(CNc2ccc(C#N)cc2)n1 356580940 QAKGELDWUFRYNQ-WFASDCNBSA-N 296.374 3.847 30 20 CHED C=C(C)CCNCc1ccc(OCC(F)(F)F)cc1 449472897 GMYVRTOVTHXEAP-UHFFFAOYSA-N 273.298 3.684 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C1CC1)[C@@H](C)C(C)C 539463115 GAYKQOKXXSEGDM-KBPBESRZSA-N 266.429 3.950 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc2c(c1)CCC2 352599307 YKSDNPWHSILEPR-UHFFFAOYSA-N 295.382 3.639 30 20 CHED Cc1ccc(CC(=O)Nc2ccc(C(C)(C)C#N)cc2)o1 611080845 NIRBREJUXVVSIH-UHFFFAOYSA-N 282.343 3.570 30 20 CHED C=C(CNC(=O)Nc1cc(C2CC2)ccn1)c1ccccc1 353929919 KCOMWIHXFMJHEE-UHFFFAOYSA-N 293.370 3.794 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(CC(F)(F)F)c1 266347940 CZTWFRSHJZPHLA-UHFFFAOYSA-N 292.688 3.665 30 20 CHED CC[C@H](C)n1ncc(N[C@@H]2CCC[C@@H](C#N)C2)c1C 618577841 LTERRPVOBBRMBA-IACUBPJLSA-N 260.385 3.657 30 20 CHED C=C(C)CCNC(=O)N1[C@@H](C)C[C@H](CC(F)(F)F)[C@H]1C 458995479 GWZAUOAZTARNAT-QJPTWQEYSA-N 292.345 3.714 30 20 CHED N#C[C@@H]1CCC[C@H](NCCCCc2ccccc2)C1 618562205 ISDLKCSTIZUSLW-SJORKVTESA-N 256.393 3.681 30 20 CHED Cc1cc(C)cc(CCC(=O)Nc2cccc(CC#N)c2)c1 456729972 DHUJZBZWDQLDOO-UHFFFAOYSA-N 292.382 3.941 30 20 CHED Cc1ccc2oc(C(=O)N3CCC[C@@](C)(C#N)C3)cc2c1 612238274 RDAGBJQCVZJFKW-KRWDZBQOSA-N 282.343 3.507 30 20 CHED C[C@@H](NCCC1CC(F)(F)C1)c1ccc(C#N)c(F)c1 453415009 JQKPVLOQWKWZLK-SNVBAGLBSA-N 282.309 3.783 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1Cc2ccccc2C[C@H]1C 539392230 STCNTSKGWXJEFQ-HUUCEWRRSA-N 286.419 3.888 30 20 CHED Cc1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1C(F)(F)F 264073762 BSZTYSAVIPXGKZ-SECBINFHSA-N 299.296 3.637 30 20 CHED C=CC(C)(C)CNC(=O)NC(C)(C)c1cccc(F)c1 458992324 VZSYIILHSRERGN-UHFFFAOYSA-N 278.371 3.572 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Cl)cc1Cl 267524503 NMNMDKQAGOQEQQ-LLVKDONJSA-N 285.174 3.661 30 20 CHED C=CCC1(C(=O)Nc2ccc(C#N)cc2)CCCC1 459839133 WVDNUUZXYUVVGW-UHFFFAOYSA-N 254.333 3.633 30 20 CHED CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)s1 610521929 GPOGGUCRIZMUBK-HNNXBMFYSA-N 296.395 3.769 30 20 CHED CC(C)CCOc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1 450007948 DTMHZGBHBJXPLT-SUMWQHHRSA-N 286.375 3.600 30 20 CHED C=CCC1(C(=O)NC2CC(C(F)(F)F)C2)CCCCC1 451775296 QGSBMALNXPEHKI-UHFFFAOYSA-N 289.341 3.970 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(C(C)(C)Cc2ccccc2)no1 453161681 DICMFRHDUNPLTI-CABCVRRESA-N 298.386 3.648 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1c(F)cccc1Cl 276305826 KXXPQDGCWQVEJC-NXEZZACHSA-N 254.736 3.822 30 20 CHED C[C@H]1CC[C@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 456038361 OYHXJIVMXIAXBW-YOEHRIQHSA-N 298.430 3.679 30 20 CHED CC(C)(C#N)CCCN1CCCO[C@H](c2ccccc2)C1 610447629 FDYSALLGUGZDHI-KRWDZBQOSA-N 286.419 3.780 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 362368426 AZFIDWAFYPIEFX-JOYOIKCWSA-N 296.823 3.751 30 20 CHED CC1(C2(Nc3ccc(C(F)(F)F)c(C#N)n3)CC2)CC1 450886407 WESWVGLKPCPQSE-UHFFFAOYSA-N 281.281 3.717 30 20 CHED C=C(C)CCNC(=O)Nc1c(C)nn(-c2ccccc2)c1C 454288892 KBTQAQYVPAVXPR-UHFFFAOYSA-N 298.390 3.577 30 20 CHED COc1cc(C#N)ccc1NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 546710457 KZNCHXLKCDQJQK-IMRBUKKESA-N 286.375 3.578 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 620858531 IIXPXJLVKGGEKE-KBPBESRZSA-N 293.357 3.929 30 20 CHED Cc1ccccc1-n1c(C)nnc1S[C@@H]1CC[C@H](C#N)C1 278588141 PMVJEIZOFZJSCH-UONOGXRCSA-N 298.415 3.669 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cnc(C2CC2)o1 628150476 SYHDJOJSWHFIHM-UHFFFAOYSA-N 298.386 3.749 30 20 CHED C=CCCC(C)(C)NC(=O)CCCc1csc(C)n1 620859066 WBGFOPGIWGTTHW-UHFFFAOYSA-N 280.437 3.635 30 20 CHED CC#CCCNC(=O)CC1CCC(c2ccccc2)CC1 542671592 AQZABKCVKIXXHC-UHFFFAOYSA-N 283.415 3.880 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)NCCCC#N)ccc21 273179141 ICBGWUCIAYYOGT-UHFFFAOYSA-N 298.390 3.723 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(C#N)c1 272319885 VRSLCMNENZUUTK-CQSZACIVSA-N 287.366 3.770 30 20 CHED CCC1(C(=O)Nc2ccc(C#N)cc2OC)CCCCC1 547415631 AQQHZKINGQLKBD-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C=CC(C)(C)CNC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 458985863 JJEHZTVJXFPUDP-MCIONIFRSA-N 264.413 3.561 30 20 CHED CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CCO1 270684783 DFDAFUREJCMNBN-GWCFXTLKSA-N 293.798 3.612 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1c1nccc(C)c1C#N 543137571 VXLIHYHZFOXIDX-ZFWWWQNUSA-N 257.381 3.667 30 20 CHED N#Cc1cc(N(C#N)CCCc2ccsc2)ccc1F 543947890 SEXJTNBHBMMAAP-UHFFFAOYSA-N 285.347 3.679 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccnc(-c2ccccc2)c1 629444170 SKZLABLIVPDXNT-UHFFFAOYSA-N 294.398 3.967 30 20 CHED N#CCC1CCN(Cc2csc(-c3ccccc3)n2)CC1 542853133 FEAOHIACRMXXAT-UHFFFAOYSA-N 297.427 3.936 30 20 CHED Cc1ncsc1CCSCc1cc(C#N)ccc1F 285058606 KWPWRCGNVRXLLB-UHFFFAOYSA-N 292.404 3.938 30 20 CHED Cc1oc2ccccc2c1CC(=O)N[C@@](C)(C#N)C(C)(C)C 466728807 KQVWOKUZXBJDBD-SFHVURJKSA-N 298.386 3.728 30 20 CHED N#Cc1cc(N2C[C@@H](c3ccccc3)c3ccccc32)ncn1 559815700 XHOVLEDCDSRQCF-KRWDZBQOSA-N 298.349 3.632 30 20 CHED N#CCCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 285551516 UQIDEOXFWKEVTK-KURKYZTESA-N 268.404 3.948 30 20 CHED C#CCCCC(=O)N1CC=C(c2cccc3ccccc23)C1 375413858 IDXMWWGCEHRNGZ-UHFFFAOYSA-N 289.378 3.869 30 20 CHED C=CCCN(C)C(=O)COc1ccccc1-c1ccccc1 467064022 UDJVZIHOXCFVAC-UHFFFAOYSA-N 295.382 3.767 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 286085037 JWYYUYDFWNESQT-IPMKNSEASA-N 295.426 3.975 30 20 CHED C=CCOc1cccc(CN(C)[C@@H](CC)CSC)c1 554888289 BHTQEHQPGDYSNV-HNNXBMFYSA-N 279.449 3.825 30 20 CHED C=CCN(c1ncc(C)c(-c2ccccc2F)n1)C1CC1 555160608 QVOKUSLVYLBQEF-UHFFFAOYSA-N 283.350 3.746 30 20 CHED C=CCC[C@@H](NC[C@@](C)(OC)C1CC1)c1ccco1 462815409 CZALBZXBIPQABK-GDBMZVCRSA-N 263.381 3.692 30 20 CHED Cc1ccc(C[C@@H]2CCCN(C[C@@H](C#N)CCC#N)C2)cc1 557704114 IVUBMIAXBNLHSQ-RBUKOAKNSA-N 295.430 3.693 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1cccc(C(F)F)c1 281236595 VBDPYISIKSBABH-SNVBAGLBSA-N 285.359 3.548 30 20 CHED CC[C@@H](CC#N)NC/C(C)=C/c1ccccc1OC(F)F 290910445 PCDLPGQETKSOIC-WONIAPNHSA-N 294.345 3.973 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)n([C@H](C)CC)n1 476962439 OVTUOAIQULYIAC-CQSZACIVSA-N 291.439 3.981 30 20 CHED CC#CCCCc1nc(Cc2cc3ccccc3o2)no1 551523604 GHVVELNGEKSQFV-UHFFFAOYSA-N 280.327 3.753 30 20 CHED CCc1ccc([C@H]2CCN(C(=O)CC(C)(C)C#N)C2)cc1 293480562 XJFYAURPJNYNMQ-INIZCTEOSA-N 284.403 3.505 30 20 CHED C[C@](C#N)(NC(=O)CC1CCCCC1)C1CCCCC1 555905305 YZAQNKWUVSOGDJ-QGZVFWFLSA-N 276.424 3.936 30 20 CHED C#C[C@H](CC)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 809686797 LKCYPTLRPJBVMZ-IAGOWNOFSA-N 257.352 3.763 30 20 CHED Cc1ccccc1-n1cc(/C=C2\CCCC(C)(C)C2=O)nn1 806573338 IGOPPQSLQFQBNW-SDNWHVSQSA-N 295.386 3.738 30 20 CHED C=CCCCCNC(=O)CCc1cc(Cl)cs1 471705508 KHIXVYPHKVZDAD-UHFFFAOYSA-N 271.813 3.807 30 20 CHED C=C(C)CCOC(=O)c1c(OC)ccc(SC)c1OC 803420959 WQGKIHYHEOJDAP-UHFFFAOYSA-N 296.388 3.549 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1cc(C)cc(C)n1 800802866 BAKPLVXLUVGRHX-UHFFFAOYSA-N 297.354 3.655 30 20 CHED Cc1ccc([C@H](O)[C@@H](C)Nc2cccc(F)c2C#N)cc1 804810658 YGELMOSTDUYIGL-SJKOYZFVSA-N 284.334 3.540 30 20 CHED CCn1ccnc1[C@H](C)N[C@H](CCC#N)c1ccccc1 296970314 RMQNVOIZIHGUGW-GOEBONIOSA-N 282.391 3.599 30 20 CHED C=CCOCCN1CCC(=Cc2cccc(F)c2)CC1 563820601 KRIJPKFRTXTHOX-UHFFFAOYSA-N 275.367 3.508 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cncc(Cl)c1C 296739845 AHPKVEQEFHCUMV-JTQLQIEISA-N 267.760 3.520 30 20 CHED C=CCn1c(CC)nnc1N1CCC[C@@H]1C1CCCCC1 563839995 FOVLVJASMPBXRT-OAHLLOKOSA-N 288.439 3.576 30 20 CHED C=CCCc1noc([C@H]2C[C@H]2c2cccc(F)c2F)n1 297273575 KXIPHJGTTHONGX-QWRGUYRKSA-N 276.286 3.738 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccccc2OC)no1 290152515 JCCHWBGSTZWDLJ-INIZCTEOSA-N 272.348 3.523 30 20 CHED C#C[C@H](NC(=O)[C@@H](c1ccccc1)C(C)C)C(C)(C)C 807884128 JNGKVKPVNJOXHO-JKSUJKDBSA-N 271.404 3.590 30 20 CHED CC#CCCCC(=O)NCCc1cc2ccccc2s1 294327152 XHLAODKMTOAABX-UHFFFAOYSA-N 285.412 3.754 30 20 CHED C[C@@H](C=NNc1ncnc2ccsc12)C(C)(C)C 800814582 RUWUGKSQDPTMOP-VIFPVBQESA-N 262.382 3.771 30 20 CHED C=CCCO[C@@H](C)C(=O)N(Cc1cccc(F)c1)C(C)C 299302133 KLJMMBPLINGQQX-AWEZNQCLSA-N 293.382 3.544 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2c(F)cccc2F)no1 561867638 BGPLJVXSJGMLQU-HNNXBMFYSA-N 278.302 3.792 30 20 CHED C=CCC[C@H](CCC)NCC[C@H](O)c1ccccc1 809748008 YYRXFLLXZGCRLC-IRXDYDNUSA-N 261.409 3.835 30 20 CHED Brc1csc(C=NNCC2CCCC2)c1 808006021 NBKVWZLPLIZAKQ-UHFFFAOYSA-N 287.226 3.624 30 20 CHED C=CCN(CCC#N)C(=O)c1oc2ccccc2c1CC 295454465 XSHFNACEJZEUOU-UHFFFAOYSA-N 282.343 3.537 30 20 CHED N#CC1(COC(=O)c2ccccc2OC2CC2)CCCCC1 805912991 NFTPDEMNKZQEKP-UHFFFAOYSA-N 299.370 3.859 30 20 CHED C=CC[C@H](C(=O)OC[C@@H](F)C(F)(F)F)c1ccccc1 800204628 QRHLOZNATDYDRX-NWDGAFQWSA-N 290.256 3.790 30 20 CHED C#C[C@H](NC(=O)C1(c2cccc(Cl)c2)CC1)C(C)(C)C 807882194 KOLFEJNEQYACBC-AWEZNQCLSA-N 289.806 3.536 30 20 CHED C=CCC1(c2nc(Cc3cccc(OC)c3)no2)CCC1 567516188 GFZDWMOBRUJKIX-UHFFFAOYSA-N 284.359 3.667 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccc(F)cc2C)no1 564834164 VQTXDYKCUIAGRX-UHFFFAOYSA-N 274.339 3.962 30 20 CHED C=C[C@H]1CCCCN1c1cc(CC)nc(-c2ccncc2)n1 486509527 OYCZSLUCIRXROI-INIZCTEOSA-N 294.402 3.646 30 20 CHED Cc1cccc(F)c1CN[C@@H]1CCc2ccc(C#N)cc21 810220050 OQZPSIVQPLTHDB-GOSISDBHSA-N 280.346 3.783 30 20 CHED CC[C@@H](C#N)NC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 484358631 IEMSUWGQFNFQHW-HNNXBMFYSA-N 286.419 3.680 30 20 CHED CCCCCCCCCC(=O)N(C1CCNCC1)C1CC1 818559699 IQCOJAPABYVIHX-UHFFFAOYSA-N 294.483 3.870 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn(CCCC)c1C(C)C 485138846 ROWDNPMMVYVBPQ-ZDUSSCGKSA-N 292.427 3.893 30 20 CHED C=CCC[C@@H](NCC(CC)(CC)CO)c1ccco1 569516576 NSMSXXVIAKLKIG-CQSZACIVSA-N 265.397 3.675 30 20 CHED CC(C)(C)[C@@H]1CC(=NOCCC(F)(F)F)CS1 814908964 DDJYBGDOKZCQTA-VIFPVBQESA-N 269.332 3.863 30 20 CHED C=CCCCCOC(=O)c1sc(CC)nc1C 811013747 IIMPOVGNUJWFIE-UHFFFAOYSA-N 253.367 3.527 30 20 CHED C[C@H]1CCc2sc(C(=O)OC3(CC#N)CCC3)cc2C1 810857971 FCZVRBLJOFISFS-NSHDSACASA-N 289.400 3.866 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccc(-n2cccc2)cc1 575064226 AZTUQGYBYQCKEZ-QGZVFWFLSA-N 294.398 3.587 30 20 CHED Cc1sc2ncnc(NN=C3C[C@H]4CC[C@H]3C4)c2c1C 814726252 NCPXNDOKYWDVMZ-QWRGUYRKSA-N 286.404 3.896 30 20 CHED c1cc2c3c(c1)C(=NOC1CCCC1)CC[C@@H]3CN2 814894349 LBWGMTHUDKFYMN-LLVKDONJSA-N 256.349 3.653 30 20 CHED CCC[C@@H](C)CC(=O)N[C@H](C#N)c1ccc(CC)cc1 575903842 CWGSDNPKDDRGQG-CZUORRHYSA-N 272.392 3.756 30 20 CHED CCCN(CCC)CCCN[C@@H]1CCc2ccc(C#N)cc21 577029417 QOOJJKMGQAPBLS-LJQANCHMSA-N 299.462 3.647 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1ccc(C#N)cc1F)CO2 573052093 NQUVEMGFOUHKQJ-HNNXBMFYSA-N 268.291 3.551 30 20 CHED Cc1cccc(NC(=S)NN=C2CC3(CC3)C2)c1C 814707776 WJWLSUGFSNYCFH-UHFFFAOYSA-N 273.405 3.520 30 20 CHED N#Cc1cccc(OCCNc2ccc(C#N)cc2Cl)c1 486582698 QNZNQDFHTWVTTD-UHFFFAOYSA-N 297.745 3.574 30 20 CHED CC(=NNc1cccc(Cl)n1)[C@H](C)CCCCC(=O)O 814939406 POZDNYXRWACROW-SNVBAGLBSA-N 297.786 3.804 30 20 CHED CC(C)Oc1cccc(C=NN[C@@H](C)c2ccncc2)c1 819814932 IRXAXDJQSJGBHY-AWEZNQCLSA-N 283.375 3.554 30 20 CHED CCOC(=O)c1ccc(NN=CCCSCC)cc1C 812228497 RSBQRMLZCPTTOZ-UHFFFAOYSA-N 294.420 3.713 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2cc3cc(Cl)ccc3[nH]2)no1 579077602 IUSZLMNCANQYOL-AYVTZFPOSA-N 298.733 3.672 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1C[C@H]3CC[C@H]1C3)CC2 577090317 LPWHTLMZBKVQRQ-VYSRMENRSA-N 266.388 3.571 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1cccc(-c2ccccc2)c1 574662857 CDDSKTFFWGHITL-ZDUSSCGKSA-N 279.343 3.635 30 20 CHED C=CCCCNc1ccccc1C(=O)N(C)C(C)C 656123148 VHYAOFSCUPDMCA-UHFFFAOYSA-N 260.381 3.545 30 20 CHED C=CCC1(NCc2cc3cnccc3o2)CCCC1 657702706 OGEPSYZXIMGRPP-UHFFFAOYSA-N 256.349 3.806 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H](C)c1cc(C)c(C(=O)OC)o1 821448153 PTEDWHYGKREGBR-NSHDSACASA-N 294.347 3.581 30 20 CHED CC(C)c1nsc(N(C)[C@@H](C)c2cccc(C#N)c2)n1 578883590 UTKWBRHTEGDBIS-NSHDSACASA-N 286.404 3.731 30 20 CHED CCC(=NNc1ncnc2sccc12)c1ccccc1 725818458 MVHFNTOXBJCKOV-UHFFFAOYSA-N 282.372 3.918 30 20 CHED C=CCC[C@H](C(=O)N1CC(C2CCC2)C1)c1ccccc1 578331436 UYZOPKGINTVRQU-SFHVURJKSA-N 283.415 3.995 30 20 CHED CCC[C@@H](Cc1ccccc1)/N=C/c1ccc(O)c(O)c1O 727781723 VWXNKISAJOVOKM-UZUMKDMXSA-N 299.370 3.634 30 20 CHED CC(C)CC(C)(C)CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 579083844 FLLLENXQEVOEIN-UHFFFAOYSA-N 290.367 3.533 30 20 CHED CC1(C)CCC/C(=C/c2ccc3oc(=O)oc3c2)C1=O 901481852 FOHZKSVBYNXUBN-FLIBITNWSA-N 272.300 3.549 30 20 CHED C[C@@H]1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1 733081222 RGQGDJYWDWDXIZ-LOXUEPLVSA-N 276.336 3.544 30 20 CHED CCc1nc(C)c(C(C)=NNc2ncccc2Cl)s1 735229484 FUVXKLPIMDEFQH-UHFFFAOYSA-N 294.811 3.898 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)/C=C\c1ccccc1 492441023 MXHRGCMSFCIXEB-XMXAVACDSA-N 292.338 3.629 30 20 CHED C(=NNc1cccnn1)C(c1ccccc1)c1ccccc1 735973680 PWJGRIXOJVOOBG-UHFFFAOYSA-N 288.354 3.706 30 20 CHED C=CC(C)(C)C(=O)OC[C@H]1CCO[C@@H]1c1ccccc1 835318169 ZFLADPQZYGUTPV-HUUCEWRRSA-N 274.360 3.520 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H](C)CCC)c1 589739390 MVVPEPNWBWGJLB-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1 833309575 CCROOOUPDLNAKM-SOFGYWHQSA-N 288.249 3.559 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2nc(CC)c(C)s2)C1 666221965 BDKUVDRXDWKXLJ-LBPRGKRZSA-N 293.436 3.834 30 20 CHED C=CCCCCNc1cccc(CCC(=O)OC)c1 834578525 SVAVYKJMTHIULY-UHFFFAOYSA-N 261.365 3.560 30 20 CHED Cc1cccc(S[C@@H](C(=O)O)c2ccc(C#N)cc2)c1 738746330 HWNRENCFKIMHQC-OAHLLOKOSA-N 283.352 3.785 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)O)cc1)C2 730948305 CHGWXJFQROEJLV-DHDCSXOGSA-N 278.307 3.516 30 20 CHED C=C(C)COC(=O)c1ccccc1C(=O)c1ccc(F)cc1 900676346 CURMDLBWHZFMFH-UHFFFAOYSA-N 298.313 3.790 30 20 CHED C=C[C@H](CC)Cc1nc(-c2ncccc2SC)no1 904055695 JVIHSICWAFGMTM-SNVBAGLBSA-N 275.377 3.608 30 20 CHED CCC(CC)NN=Cc1cnn(-c2ccc(Cl)cc2)c1 734366248 JYCXCDYAUXNTRR-UHFFFAOYSA-N 290.798 3.638 30 20 CHED C#CCC1(C(=O)NC[C@@H](C)CC(F)(F)F)CCCCC1 839850726 UODHTPOPFLATIT-LBPRGKRZSA-N 289.341 3.665 30 20 CHED C=CCCC(=O)OCCOc1ccc(C(F)(F)F)cc1 730601772 DKEREJAKYKBKQA-UHFFFAOYSA-N 288.265 3.594 30 20 CHED C#CCC[C@@H](C)OC(=O)C1CC(c2ccc(F)cc2)C1 839041361 UTZFJESLHXDJGS-LRVUVFPRSA-N 274.335 3.664 30 20 CHED Cc1cc2ccccc2n1CC(=O)O[C@H]1CCC[C@@H](C#N)C1 839059106 VPFOCRMTHGTLPX-ZBFHGGJFSA-N 296.370 3.575 30 20 CHED CCCCCCCC(=O)NC[C@H](OC)c1ccccc1 915265817 MQHHEOQGLHEVAI-INIZCTEOSA-N 277.408 3.851 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 599598756 UBRYMHNFKGGYMA-OAHLLOKOSA-N 286.419 3.681 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(CC)[nH]n1 918398207 ZKWXZQDUCGJWIO-UHFFFAOYSA-N 279.428 3.795 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(C)n1C(C)C 839044649 PEERCXYNHHLDIQ-CABCVRRESA-N 288.391 3.925 30 20 CHED C[C@@](C#N)(NC(=O)c1ccsc1Cl)C1CCCCC1 597249598 VTBZNXNYGGMEBQ-AWEZNQCLSA-N 296.823 3.994 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](CC#N)C1 595621519 VXBPTPSJLIHBTM-UONOGXRCSA-N 287.363 3.590 30 20 CHED N#CCc1cccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)c1 598151444 ZNCVLVDLVAGNBP-GOSISDBHSA-N 296.414 3.795 30 20 CHED CCc1ccccc1NN=Cc1ccc(F)c(F)c1 915051356 DZBRRQPJCDMGPM-UHFFFAOYSA-N 260.287 3.973 30 20 CHED CCC[C@H](NC1CCC(C)(C#N)CC1)c1ccccn1 590645846 YADNHXYIRWAMOR-WIHSUSGWSA-N 271.408 3.985 30 20 CHED C[C@@H]1CCCCC1=NNCc1cccc2cccnc12 915958987 CJXZZICIDDSXFG-CYBMUJFWSA-N 267.376 3.891 30 20 CHED CCO[C@H](CC/N=C\c1cc(Cl)ccc1O)C(C)C 746394811 RYNYSUPKQVIELO-DISPHTKASA-N 283.799 3.916 30 20 CHED N#CCC1(CSCCOc2ccc(F)cc2)CC1 596325456 VKWWKBIEWXVIKF-UHFFFAOYSA-N 265.353 3.632 30 20 CHED Oc1ccccc1/C=N\CCSCc1ccccc1F 743334170 PPAMBERKNQGUJA-WQRHYEAKSA-N 289.375 3.884 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1cnn(C(C)C)c1 746687265 UZPKOBHTXFHBNL-SREVYHEPSA-N 284.359 3.677 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2CCSc3ccccc32)c1 741893945 CUHMOVVQCOTCJT-INIZCTEOSA-N 293.391 3.886 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2cnccn2)cc1 741846397 ALRPRHHMFYPKSL-CQSZACIVSA-N 266.348 3.521 30 20 CHED Cc1ccc(C[C@@H](C#N)SC2=N[C@H](C)CS2)cc1 842568502 QPNDWIWJQORUMY-YPMHNXCESA-N 276.430 3.654 30 20 CHED CCc1nc(C)c(C(C)=NNc2ccc(Cl)nc2)s1 743450980 WAUINOCHXJKKOA-UHFFFAOYSA-N 294.811 3.898 30 20 CHED COc1ccc2ccc(O)c(CN(C)CC(C)(C)C#N)c2c1 840075230 XFTDDIAAFMWMQS-UHFFFAOYSA-N 298.386 3.536 30 20 CHED C=CCN(C(=O)N[C@H](C)CCc1ccccc1)C(C)C 918055708 FCDLYMJSXIZJSL-OAHLLOKOSA-N 274.408 3.614 30 20 CHED N#CC1(CCOC(=O)/C=C/c2cccc(O)c2)CCCCC1 840273446 QOGAIGLJJIHBEA-BQYQJAHWSA-N 299.370 3.813 30 20 CHED N#Cc1cccc2c1CN(C[C@@H]1C[C@H]1c1ccccc1)C2 593126572 WNVSYUFNDIAWMM-ROUUACIJSA-N 274.367 3.678 30 20 CHED CCn1cc(C=NNc2cc(C)nc(C)n2)c2ccccc21 915967498 DRRMXXOOHGCINF-UHFFFAOYSA-N 293.374 3.514 30 20 CHED C[C@@H](NC(=O)N(C)CCC(C)(C)C)c1cccc(C#N)c1 591947002 WFWYIUFNCBDKEB-CYBMUJFWSA-N 287.407 3.697 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc2ccn(CCC)c2c1 844542605 GJBVWCPKBJICSE-GFCCVEGCSA-N 287.363 3.679 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)NCc1cc(C#N)ccc1F 742733591 FLVZZSMTPYGETO-JSGCOSHPSA-N 288.366 3.530 30 20 CHED COCCON=C(C)c1ccc(SC(C)C)cc1 748790878 OXISGVAZZGVIQG-UHFFFAOYSA-N 267.394 3.574 30 20 CHED N#C[C@]1(C(=O)Nc2cccc3cc[nH]c23)CC12CCCC2 590740627 CJVYYVZJHSHDDT-KRWDZBQOSA-N 279.343 3.580 30 20 CHED CCCCCCCCCN(C)C(=O)c1cncs1 918397441 DVVNXGPSAPTUQU-UHFFFAOYSA-N 268.426 3.966 30 20 CHED CC[C@@H](C)N(CC)C(=O)NCc1ccc(C#N)c(Cl)c1 596595993 XSCMRIGAPOMRHS-LLVKDONJSA-N 293.798 3.542 30 20 CHED Cc1cc(C#N)ccc1NCCCSc1nccs1 846748946 PHDSFLAVUPKDOK-UHFFFAOYSA-N 289.429 3.918 30 20 CHED Cc1cc(F)c(C=NNC2CCCC2)c(Cl)c1 841626831 LCEDSXYGDLLKEW-UHFFFAOYSA-N 254.736 3.654 30 20 CHED N#Cc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)o1 746575681 AUTLJQWETPBDLL-UHFFFAOYSA-N 294.232 3.721 30 20 CHED Cc1csc(NC(=O)N2C[C@H](C)CC2(C)C)c1C#N 594110732 IUJKRDHYZYIRBW-SECBINFHSA-N 277.393 3.581 30 20 CHED N#CCCCCOC(=O)C1(c2ccc(F)cc2)CCCC1 914617964 KATXRUOWLSVNMP-UHFFFAOYSA-N 289.350 3.875 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](CC#N)C1 595491777 XUQZRGVEQITLHI-OAGGEKHMSA-N 291.439 3.681 30 20 CHED C=C[C@@H](C)ON=CC(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1 844621385 GUHZIBLXKOHTPP-UKRRQHHQSA-N 290.363 3.650 30 20 CHED Clc1cccnc1NN=C1CSCc2ccccc21 917546644 SHFKDWFDNXELFQ-UHFFFAOYSA-N 289.791 3.798 30 20 CHED CCCCCCCOC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 918493187 JAWJJLXCRLYDLO-YIONKMFJSA-N 280.408 3.895 30 20 CHED CCOC(=O)C(C)(C)ON=C[C@@]1(C)C[C@@H]1c1ccccc1 841641958 ZIHDQFPXSWFWBZ-RHSMWYFYSA-N 289.375 3.524 30 20 CHED N#CC1(C(=O)OCc2ccc3ccccc3c2)CCC1 740252317 YRYYEIIQPQUCNF-UHFFFAOYSA-N 265.312 3.577 30 20 CHED CCO[C@@H](CC(=O)OCCC1(C#N)CCCCC1)C(C)C 840294760 ZENIUKYHJINSRP-HNNXBMFYSA-N 295.423 3.845 30 20 CHED N#Cc1c(F)cccc1SCCCC1CCOCC1 594898126 REQQGRMJOJPMPO-UHFFFAOYSA-N 279.380 3.996 30 20 CHED N#Cc1ccc(CCN(C2CCC2)C2CCC2)cc1 595511758 QBCGYHSRMIQWRK-UHFFFAOYSA-N 254.377 3.508 30 20 CHED C=CCN(C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1)C(C)C 745878948 VZTXAPYHXZXETP-INIZCTEOSA-N 288.435 3.840 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1nc(Cl)c(C#N)s1 841225476 QROXDRWHRFNWHN-IUCAKERBSA-N 297.811 3.823 30 20 CHED C#CC1CCN(C(=O)/C(C)=C/c2ccccc2Cl)CC1 843704987 NCBMBLJNVWRCOE-OUKQBFOZSA-N 287.790 3.615 30 20 CHED C#Cc1cccc(N(Cc2cccs2)CC2(C)COC2)c1 744395149 UGWJMLQPDRLAEW-UHFFFAOYSA-N 297.423 3.773 30 20 CHED C#CCCN1Cc2ccccc2[C@H](c2ccccc2)C1 752857583 WPGSVUYHWYXDKW-IBGZPJMESA-N 261.368 3.657 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1[C@H](C)c1ccccc1 928384985 NUFQEQFPCVFQND-WBVHZDCISA-N 269.388 3.585 30 20 CHED CCCCCCCNC(=O)N1CC[C@@H](c2cccnc2)C1 858114774 SKCNMRILRSKFEH-MRXNPFEDSA-N 289.423 3.551 30 20 CHED CC(C)(C)C1=CCN(C(=O)/C=C\c2ccccc2C#N)CC1 759855982 NQHACAUBPQXHIS-HJWRWDBZSA-N 294.398 3.776 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCCc3cccnc32)c1 922884018 HESVBWNHCWVZFN-GOSISDBHSA-N 294.398 3.814 30 20 CHED C=CCCCCCCNC(=O)c1ncoc1C(F)(F)F 854452253 RXLJZSSIFIWRDG-UHFFFAOYSA-N 290.285 3.560 30 20 CHED Cc1nocc1CON=Cc1ccc(C(C)C)cc1 853644675 VSOPDEACPQYKTK-UHFFFAOYSA-N 258.321 3.657 30 20 CHED CC(CC(C)(C)C#N)=NNc1cc([N+](=O)[O-])ccc1C 853298490 TWMPMCRFCYMNKZ-UHFFFAOYSA-N 274.324 3.631 30 20 CHED CC(C)(CCC#N)CNC[C@@H](O)c1cccc2ccccc12 850361616 UDQAWGNHZPUVMP-GOSISDBHSA-N 296.414 3.793 30 20 CHED Fc1ccc(F)c(CNN=Cc2cccc(Cl)c2F)c1 759652673 JOBZUYBLEUGGMQ-UHFFFAOYSA-N 298.695 3.881 30 20 CHED CCCCCCCCNC(=O)[C@H](C)C(F)(F)F 754841204 HMDGGZYERRJNBO-JTQLQIEISA-N 253.308 3.662 30 20 CHED C#CCC1(C(=O)N2[C@H]3CC[C@H]2CC(C)C3)CCCCC1 856243823 RVSASORZBSOONP-HOTGVXAUSA-N 273.420 3.750 30 20 CHED CCC/C(C)=C/C(=O)N(CC)c1ccc(C#N)cc1 753178472 RCIFAVXWQJWYTN-ACCUITESSA-N 256.349 3.658 30 20 CHED N#CCc1ccc(C(=O)OCCCCC(F)(F)F)cc1 758685274 DZBWPWYXEVBERZ-UHFFFAOYSA-N 285.265 3.642 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c(C)nn(CC)c1C 755753518 KFBWJYPUNDVCSS-CYBMUJFWSA-N 278.444 3.802 30 20 CHED CC[C@@H](NC(=O)N1CCC[C@@H](C#N)C1)c1cc(C)ccc1C 923457717 KBIYSYGWYODBPA-DOTOQJQBSA-N 299.418 3.700 30 20 CHED CC/C=C(/C)C(=O)OCc1ccc(C#N)cc1OC(F)F 752532309 IZSVZVPRDFAECA-WMZJFQQLSA-N 295.285 3.559 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(C)c(O)nc2ccccc12 935249392 CCUASJNFFDAMDE-GFCCVEGCSA-N 298.386 3.723 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 757234302 LHANILBXPNZBEE-NSHDSACASA-N 293.798 3.636 30 20 CHED CC(Cc1nc2ccccc2s1)=NO[C@@H]1CCCCO1 755820370 WKWRMWHEEGTPPP-OAHLLOKOSA-N 290.388 3.758 30 20 CHED C[C@H](C#N)CNN=C1CCC[C@@H]1c1ccccc1Cl 758128838 JDWJNDSMPZFXLA-DGCLKSJQSA-N 275.783 3.713 30 20 CHED Oc1ccc(C=NNc2ccc3ccccc3n2)cc1F 755487207 FKAWJHGTQRIOSK-UHFFFAOYSA-N 281.290 3.526 30 20 CHED C=CC(C)(C)CCOC(=O)/C=C/c1cnccc1C 851299939 GEEJUKOZNLLEBK-VOTSOKGWSA-N 259.349 3.549 30 20 CHED CC1CC(COC(=O)C[C@@H](CC#N)c2ccccc2)C1 851463788 GPCWKGFBQNJAHE-ZBCRRDGASA-N 271.360 3.663 30 20 CHED C=CCCN1CCCCC[C@H]1C[C@H](O)c1cccs1 750834081 IUKNGNARRPXWDF-GJZGRUSLSA-N 279.449 3.992 30 20 CHED CS[C@H](C)CC(=O)OCc1ccccc1C(C)(C)C#N 766923505 ZDMRACGCNWXUMF-GFCCVEGCSA-N 291.416 3.673 30 20 CHED CCC(=NNc1ccccn1)c1cc(C)ccc1C 863067602 DQUHMMKRCCBKJM-UHFFFAOYSA-N 253.349 3.925 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(OC)c2ccccc2c1 933771364 FUWFMGFQAIMZDP-UHFFFAOYSA-N 297.358 3.616 30 20 CHED C#C[C@@H](OC(=O)c1scnc1CC)c1ccc(C)cc1 860964332 NGOFPIHWFHMUHF-CQSZACIVSA-N 285.368 3.545 30 20 CHED C[C@@H]1CCC(=NNc2ncnc3ccsc23)C[C@H]1C 767387374 HUKWTPQMVXHXIB-NXEZZACHSA-N 274.393 3.915 30 20 CHED C#C[C@H](OC(=O)c1cncc(-c2ccc(C)cc2)c1)C1CC1 767519010 RZVNOZAVKJSWNL-SFHVURJKSA-N 291.350 3.626 30 20 CHED CCC(=NNc1c(C)cccc1F)c1c(C)nn(C)c1C 769827935 OGJOIWBYKPYJPT-UHFFFAOYSA-N 288.370 3.711 30 20 CHED C1=C[C@H]2C[C@H]1C[C@H]2C=NNc1nc2ccccc2s1 864094725 WUFMPIPLPYIWEX-SRVKXCTJSA-N 269.373 3.906 30 20 CHED C[C@H](CC#N)OC(=O)C1(c2cc(F)cc(F)c2)CCCC1 860544378 CKIJVHCTSXNANC-LLVKDONJSA-N 293.313 3.622 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H](CC)COC)cc1 766093073 HBIKHOQEPMLFPR-ZFWWWQNUSA-N 297.826 3.894 30 20 CHED CCCCCCCCCC(=O)N1CCN(CCC)CC1 935818303 HNDZLZQQVIGVGA-UHFFFAOYSA-N 282.472 3.681 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1c(F)c(F)nc(F)c1F 760602258 NUYTVYUYZVBXIJ-BYPYZUCNSA-N 290.182 3.781 30 20 CHED COc1ccsc1/C=C1\Oc2ccc(F)cc2C1=O 764433486 SUYOFQQXQBUTHH-GHXNOFRVSA-N 276.288 3.512 30 20 CHED N#CCC1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 865668588 LUCQDVXLWFNZKD-UHFFFAOYSA-N 295.289 3.662 30 20 CHED CC(C)c1cc(C(=O)OC[C@@H](C)C#N)c2ccccc2n1 765960985 SCRNGOAZUVNNNN-LBPRGKRZSA-N 282.343 3.675 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(C)cc1 764433831 GTXWRIBZMHUVKX-BQYQJAHWSA-N 258.342 3.961 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 767071550 KFTASIXQEWBDGE-GOSISDBHSA-N 297.442 3.826 30 20 CHED C#CCCN(Cc1ccc2cc[nH]c2c1)CC(F)(F)F 862328672 CZBPBWBCBFLVBF-UHFFFAOYSA-N 280.293 3.556 30 20 CHED N#Cc1c(Cl)nsc1NC1CCC(F)(F)CC1 761246216 SWZOHPITCFSXEO-UHFFFAOYSA-N 277.727 3.658 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1)CCO2 763098926 ACAUEDMYYBLVFZ-RAXLEYEMSA-N 298.313 3.883 30 20 CHED C#CCCCN(C)[C@H](C)c1ccccc1Br 766896597 UQVZIIJMFUJVJT-GFCCVEGCSA-N 280.209 3.855 30 20 CHED C=CCCC(=O)COC(=O)c1ccc(Cl)cc1Cl 761362855 UWRACHKJCAKRDT-UHFFFAOYSA-N 287.142 3.686 30 20 CHED Cc1cc(C=NNc2ncnc3sccc23)c(C)s1 760242479 UCAVHJBMMZYSKC-UHFFFAOYSA-N 288.401 3.816 30 20 CHED O=C(O)c1ccccc1NN=C1CC[C@@H]1c1ccccc1 769778664 VDODXDCCKHJHEK-CYBMUJFWSA-N 280.327 3.730 30 20 CHED Fc1ccc2c(c1)C(=NNc1cc(Cl)ccn1)CC2 777905914 QIVMQFPCKUBTAK-UHFFFAOYSA-N 275.714 3.637 30 20 CHED C=CCCN(Cc1nc(C)c(C)[nH]1)OCc1ccccc1 878483199 HZFGDXOJYFFRGW-UHFFFAOYSA-N 285.391 3.536 30 20 CHED C=C(CC)COC(=O)c1ccc(F)cc1Br 773477074 UTQFOHOXYNPXHL-UHFFFAOYSA-N 287.128 3.711 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(F)nc1 779154534 WKXFAKBSTFHYHV-UHFFFAOYSA-N 297.377 3.751 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1NCc1cccc(OCC#N)c1 1116781068 QGCWBXQLRGBMPW-CZUORRHYSA-N 272.392 3.503 30 20 CHED C[C@@H](C=NNc1cc(Cl)ccn1)c1ccccc1 777906540 XDUZGOLJWJNGEI-NSHDSACASA-N 259.740 3.936 30 20 CHED Clc1ccc2c(c1)C(=NOC1CCOCC1)CCCC2 774450149 BKFDJZSHIPVDQK-UHFFFAOYSA-N 293.794 3.966 30 20 CHED CCOc1cccc(/C=N/[C@H](C)c2ccncc2CC)c1O 773146371 AAZWZDZBDXBGNK-HMHKGCENSA-N 298.386 3.928 30 20 CHED CC(C)(C)c1ccc2cc(C(=O)OCC3(C#N)CC3)[nH]c2c1 775844406 HDSDMHQCDLQUQO-UHFFFAOYSA-N 296.370 3.926 30 20 CHED C#CCOc1cccc(Cl)c1C=NNc1ccccc1 777418804 OHOJBWPTCBDGTI-UHFFFAOYSA-N 284.746 3.798 30 20 CHED C=CCn1cnn(CN(CC(C)C)CC(C)(C)C)c1=S 1116278856 DRDPLTRUSBDZPS-UHFFFAOYSA-N 296.484 3.562 30 20 CHED C=C(CC(C)C)C(=O)Nc1ncc(-c2ccccn2)s1 1123778480 LNIDKCTWZAXGFT-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C#CCOc1ccccc1OCc1ccc(CF)cc1 777540093 KCSJDWSCRMMVHY-UHFFFAOYSA-N 270.303 3.747 30 20 CHED C#CCOc1ccccc1NC(=O)NC1CCCCCC1 776089226 VHQMWGGNLJODPL-UHFFFAOYSA-N 286.375 3.543 30 20 CHED C[C@H]1C[C@@H](OC(=O)c2cc(C#N)cs2)CC[C@H]1C 770992127 BSHZVLFURQZSAV-SCVCMEIPSA-N 263.362 3.601 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cccc(F)c1F 776192583 RYWRBHHUEICAQL-VOTSOKGWSA-N 273.282 3.818 30 20 CHED CC(C)[C@@H](O)C1(C/N=C/c2c(O)ccc3ccccc23)CC1 775628896 BCTMHCTXFKPSHY-JLWFYQMASA-N 297.398 3.761 30 20 CHED C=CC[C@H](NCc1ccc(SC)o1)c1ccncc1 883003397 NXPPSHFNHHCXHZ-AWEZNQCLSA-N 274.389 3.804 30 20 CHED C=C(CC)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 1123671075 JUWUBBMQIQCMMP-AWEZNQCLSA-N 297.402 3.544 30 20 CHED C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 881323289 FLSXHJKHVHBCQT-XHSDSOJGSA-N 293.451 3.521 30 20 CHED C=CC(C)(C)CC(=O)N1CC(CC)(c2ccccc2)C1 880277213 LXWYSBWTVOHLKY-UHFFFAOYSA-N 271.404 3.779 30 20 CHED CC(C)(C#N)CC(=O)OC/C=C\c1ccc(Cl)cc1 785077813 MMLXVPNUBCSDQS-ARJAWSKDSA-N 277.751 3.836 30 20 CHED CO[C@@H](C(C)=NOCCC(F)(F)F)c1ccccc1 782283398 PKCIDPHFVUUWBP-LBPRGKRZSA-N 275.270 3.719 30 20 CHED N#CC1(COC(=O)c2ccc(OC3CCC3)cc2)CCCC1 780532071 LUDKGJKGQRWKRO-UHFFFAOYSA-N 299.370 3.859 30 20 CHED C=C(C)CCC(=O)N(CC(C)(C)C)CC(F)(F)F 1120998724 MELWBLZOFOPSKJ-UHFFFAOYSA-N 265.319 3.780 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1cc(F)c(F)cc1F 780226502 GBMUBJZATFSCKM-UHFFFAOYSA-N 292.260 3.572 30 20 CHED C[C@H](CNc1cccc(OCC#N)c1)c1ccc(F)cc1 783659049 FXEDSMGXCSQHFP-CYBMUJFWSA-N 284.334 3.944 30 20 CHED C/C(C=NN1Cc2ccccc2C1=O)=C/c1ccccc1 781598993 POLCAJONGYVSBJ-QUVZVDGRSA-N 276.339 3.732 30 20 CHED C#CCCCCCC(=O)Nc1nc(CCC)cs1 780022131 HMDBQGFHQNKCBZ-UHFFFAOYSA-N 264.394 3.618 30 20 CHED C=C1CCC(C(=O)Oc2ccc3c(c2)CCCC(=O)N3)CC1 892908146 QEQDZSZDASVCED-UHFFFAOYSA-N 299.370 3.613 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1c(C)cccc1C 782440679 VBLRGJRHJVNTFZ-QGZVFWFLSA-N 276.376 3.575 30 20 CHED CCOc1ccc(C=NOCc2ccccc2)cc1F 782186948 OPLHWESGZGMTRP-UHFFFAOYSA-N 273.307 3.775 30 20 CHED N#CCCCNCc1ccc(SC(F)(F)F)cc1 784621921 QWMPCNYGFNOMHN-UHFFFAOYSA-N 274.311 3.692 30 20 CHED CCc1ccccc1COC(=O)c1cccc(F)c1C#N 782318133 XIUZXJYRXANPIM-UHFFFAOYSA-N 283.302 3.617 30 20 CHED Cc1cccc(C2=CCN(C(=O)CCCC#N)CC2)c1C 891344112 OPOBEVMFGBUPAU-UHFFFAOYSA-N 282.387 3.613 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1ccccc1F 790310718 MEHSZQJTCONORS-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)nc(Cl)c2)n1 795768561 RFIOIVJBIHLIKQ-UHFFFAOYSA-N 284.146 3.947 30 20 CHED C=CCC(C)(C)C(=O)OCc1cccc(Cl)c1 796462420 BTVFARQFNGBKRM-UHFFFAOYSA-N 252.741 3.986 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NOCC(F)F)C1 799113122 JCHBVNGEIGJXMS-LLVKDONJSA-N 268.307 3.685 30 20 CHED C=CCCCCOC(=O)Cc1c(C)nn(C(C)C)c1C 797272688 MOBCUEBDXSJUOO-UHFFFAOYSA-N 278.396 3.523 30 20 CHED C#CCN(CC#N)Cc1sc2ccccc2c1Cl 799200613 DCDPHVBYQKILAN-UHFFFAOYSA-N 274.776 3.513 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SC/C(C)=C/Cl 797808518 KLCZOECWLPNXNZ-YTRUQHMWSA-N 275.845 3.675 30 20 CHED C[C@H](OC(=O)[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 796371556 RTDRSSRGBUOXKM-GXFFZTMASA-N 279.286 3.598 30 20 CHED C#CCCCNCc1cc(Cl)ccc1OCC1CC1 797466993 VKYQXQXKQYMARG-UHFFFAOYSA-N 277.795 3.632 30 20 CHED CCOc1c(Cl)cccc1C=NNCCC(F)(F)F 794551737 JNDXUERNCKYRGL-UHFFFAOYSA-N 294.704 3.615 30 20 CHED C#CCCCON=C(C)c1ccc(Br)cc1F 795246170 MJHLSXWWDBRWQQ-UHFFFAOYSA-N 298.155 3.742 30 20 CHED CC1(C)CCCC[C@H]1NN=C1CCCC12CCOCC2 799887336 UIWFVOPKRCRJPC-CQSZACIVSA-N 278.440 3.882 30 20 CHED Cc1cc(F)ccc1-c1ccc(C=NNc2nccn2C)o1 790300198 ORJMUCHTYOJTLQ-UHFFFAOYSA-N 298.321 3.574 30 20 CHED C=CCN(C(=O)c1ccc(Br)cc1C)C1CC1 271522797 NDRQUDSZZOKOFE-UHFFFAOYSA-N 294.192 3.548 30 20 CHED C=C(CC)COC(=O)CCc1nc2ccccc2s1 1319782547 UAUVEKGWYKSKKZ-UHFFFAOYSA-N 275.373 3.738 30 20 CHED c1ccc(C2CCC(=NNCC3CCOCC3)CC2)cc1 1318533254 GWDZLLSPALZALO-UHFFFAOYSA-N 286.419 3.716 30 20 CHED Cc1cc(N2CC[C@H](Cc3ccccc3)[C@@H]2C)c(C#N)cn1 1162706258 PXOFCKOVCZQYGC-DOTOQJQBSA-N 291.398 3.719 30 20 CHED C=CC[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)OCC 1324625395 NMAZLUNUOARGDR-MRXNPFEDSA-N 299.370 3.544 30 20 CHED C=CCCCOC(=O)CCc1nc2ccccc2s1 1328685687 ATHBXPXFQGLMDW-UHFFFAOYSA-N 275.373 3.738 30 20 CHED COc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1F 1324409017 NEOWTIDBYMZBOU-WUXMJOGZSA-N 286.277 3.796 30 20 CHED Cc1ccc(OCCCCNc2cccc(CC#N)n2)cc1 1320359949 ZACOJRSZOMHWGB-UHFFFAOYSA-N 295.386 3.727 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(OC)cc1C 414092996 LVPUUUVYAOFKBY-ZDUSSCGKSA-N 265.422 3.573 30 20 CHED Cc1nsc(Nc2ccc(OCC3CC3)cc2)c1C#N 588817397 MQWFYMMRMZCUDM-UHFFFAOYSA-N 285.372 3.856 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1Nc1cccc(C#N)n1 556597328 VSHWWYUABADCCX-SJKOYZFVSA-N 263.344 3.689 30 20 CHED C=CC[C@H](C)NCc1c(F)cccc1Br 192573563 WFEBPTDSQLBMJK-VIFPVBQESA-N 272.161 3.642 30 20 CHED CC[C@H](C#N)C(=O)N(C)Cc1ccc(Cl)cc1Cl 593383658 HSABCPGRKDMVGD-SECBINFHSA-N 285.174 3.502 30 20 CHED C=CCCSCCNC[C@H]1C[C@@H]1c1ccccc1 597184155 HPHFSATZEKSHDL-HZPDHXFCSA-N 261.434 3.689 30 20 CHED CSc1ccccc1C(C)=NOCc1cccnc1 1256574899 FSEFMDJDPXFKKH-UHFFFAOYSA-N 272.373 3.744 30 20 CHED C[C@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)C1(F)F 599515333 SAZATWKNPJERHY-BETUJISGSA-N 272.383 3.930 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)CCCC(F)(F)F 1338962555 CDOSOJBKNWDOJT-JTQLQIEISA-N 251.292 3.580 30 20 CHED COc1ccc(CNCCC2=CCCCC2)cc1C#N 87822478 DCQFDQZWGSENTA-UHFFFAOYSA-N 270.376 3.547 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21 1336758034 CQELIIZOLSMNTH-HOCLYGCPSA-N 285.387 3.510 30 20 CHED N#Cc1ccccc1N(C(=O)[C@H]1CC12CCC2)C1CCC1 1332587126 DNQJHENHISZLOJ-OAHLLOKOSA-N 280.371 3.634 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc(Cl)ccc1Cl 785997331 LLQXPGPNVXFOPP-SNVBAGLBSA-N 271.191 3.929 30 20 CHED C[C@H](NC(=O)CC#Cc1ccccc1)c1ccccc1Cl 1348299648 WGKZWRITTCCQRM-AWEZNQCLSA-N 297.785 3.959 30 20 CHED C[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)C1CCCC1 1345982243 PGFMBHWBULHIQH-RISCZKNCSA-N 261.321 3.604 30 20 CHED C#CCCCCCC(=O)OCc1ccc(C(C)=O)cc1 1344530608 SEXFLLZVOOLGJS-UHFFFAOYSA-N 272.344 3.516 30 20 CHED C=C(CC)C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 1345987197 UFWXGEWIRNRXNK-HIFRSBDPSA-N 275.417 3.658 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc(C)c(OC)c(Cl)c1 1345428543 UWKZAONYJMGEOC-DGCLKSJQSA-N 283.799 3.509 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ncccc1C 1348499216 MOEWPKWMJRZHEJ-KRWDZBQOSA-N 266.388 3.667 30 20 CHED COc1cc(C#N)ccc1C(=O)Nc1ccccc1SC 1348232381 MZLVGSZAMZTNCG-UHFFFAOYSA-N 298.367 3.541 30 20 CHED Cc1ccccc1[C@H](C)C(=O)O[C@@H](C)C(C)(C)C#N 1345132869 RVANQQDGSKRLII-STQMWFEESA-N 259.349 3.580 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCc2cccc(F)c21 1264340992 QZOCGQJMBHGHGD-UHFFFAOYSA-N 294.329 3.599 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C3CC=CC3)n2CC)C1 1352799190 WIRGGQHDSMKTRL-CQSZACIVSA-N 286.423 3.524 30 20 CHED C=C(Cl)CNC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 1444353878 GSXUMNAPMGWMEK-ZJUUUORDSA-N 283.721 3.614 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(COc2ccccc2)cc1 1295763652 RPDRIXWWPZRIKW-OAHLLOKOSA-N 294.354 3.754 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCc2cc(C#N)ccc21 1528622749 IIRRMOMPXNNMTC-ZDUSSCGKSA-N 284.403 3.910 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2ccc(F)c(C#N)c2)[C@@H]1C 1521313857 SVHZQDYCRGQVCC-HFAKWTLXSA-N 275.323 3.679 30 20 CHED CCSc1ccccc1C(=O)[C@@H](C#N)c1nccn1CC 1526595088 VINXZNZRVVLUMS-CYBMUJFWSA-N 299.399 3.505 30 20 CHED C=CCCCCCN(C)Cc1cc(C(=O)O)cs1 1602871469 YVDXMTWOYYXOFP-UHFFFAOYSA-N 267.394 3.625 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cc(C(=O)O)co2)cc1C 1600159603 AYYHZIXIPVDMNJ-PLNGDYQASA-N 284.311 3.799 30 20 CHED CC(C)Oc1cccc(NC(=O)Cc2ccc(C#N)cc2)c1 1460236380 VSAVWGZGIRTVLI-UHFFFAOYSA-N 294.354 3.527 30 20 CHED CCc1ccc(C2CCN(c3ccnc(C#N)c3)CC2)cc1 1612691302 DBWNZZBJJCBFCR-UHFFFAOYSA-N 291.398 3.900 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC(CC(C)C)CC1 1545349119 ONCCKCGKQPMUIJ-UHFFFAOYSA-N 284.403 3.765 30 20 CHED CC(C)(C)C[C@H]1CCN(c2ccc(Cl)c(C#N)n2)C1 1559214137 SIBIKGJYADYJEM-LLVKDONJSA-N 277.799 3.869 30 20 CHED C[C@H]1CCCC[C@@H]1CCNc1ncc(C#N)cc1F 1642270541 UJJBQYIWZLHWGO-WCQYABFASA-N 261.344 3.721 30 20 CHED Cc1cc(C)nc(SCC(=O)[C@@H](C#N)c2ccccc2)c1 1641063270 URLFARHZMUAJPP-HNNXBMFYSA-N 296.395 3.667 30 20 CHED CC1CC(Nc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 1651600111 NNLSCQPSWDONMJ-UHFFFAOYSA-N 294.402 3.694 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(F)cc1C#N)CC2 1657600211 VZAQZLROTKJEGW-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=CC[C@H](C)N[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1 1588735535 DCSJXOZEDLIETF-UFBFGSQYSA-N 288.174 3.673 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N 1659657277 FIUCKGREOSMRBN-SUNKGSAMSA-N 289.354 3.644 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)c1ccccc1 1588721623 QPFMFFTXHWUARB-MRXNPFEDSA-N 295.338 3.683 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2ccc(C#N)cc2F)[C@@H]1C 1584093497 ZBIBABDTMAURPJ-UEKVPHQBSA-N 275.323 3.679 30 20 CHED CS[C@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1599788889 JBJNRZATRTYZQI-NSHDSACASA-N 296.367 3.597 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1conc1CC 1776784517 XXSGWROMLKHEGI-AWEZNQCLSA-N 296.411 3.530 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(CCC[C@@H](C)CCC)C1 1776160698 VLUBVMDVEHDVFO-GOEBONIOSA-N 267.413 3.556 30 20 CHED CC(C)[C@@H]1CCC(=NNc2ccc(CC(=O)O)cc2)C1 1776085097 MEXGQXRYPALJOD-CYBMUJFWSA-N 274.364 3.538 30 20 CHED C[C@@H](ON=Cc1ccc(C(=O)O)c(F)c1)c1ccccc1 1776083233 SRSVWJYDWPKHQH-LLVKDONJSA-N 287.290 3.636 30 20 CHED Cc1cccc(C(=O)N(C)Cc2cccc(C#N)c2)c1Cl 160329965 ZYESVOJKDCYUOJ-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CCN(C(=O)c1cc(C)cc(F)c1)c1ccc(C#N)cc1 151835679 UEGTUEUQHQDUGH-UHFFFAOYSA-N 282.318 3.673 30 20 CHED CCc1ccc([C@H](C)NCc2cccc(C#N)c2)o1 151399044 NIPBJUPSEOZADU-LBPRGKRZSA-N 254.333 3.564 30 20 CHED CC[C@@H](C)CN(C)C(=O)N[C@H](CCC#N)c1ccccc1 151462456 XYVXTMFXQMASBJ-GDBMZVCRSA-N 287.407 3.719 30 20 CHED C=CCCS[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 151987108 AUDWBMRDUMJZQB-STQMWFEESA-N 275.417 3.662 30 20 CHED COc1cccc2c1CC[C@H]2N[C@@H](C)c1cccc(C#N)c1 153712341 JSHLEYDSTLBZCL-SCLBCKFNSA-N 292.382 3.905 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C=CCCC1 157615863 WTNOUFWUOATNJS-KRWDZBQOSA-N 297.402 3.587 30 20 CHED C=CCCCNc1cccc(NS(=O)(=O)CCC)c1C 157168113 GYOMTOSSEUMZST-UHFFFAOYSA-N 296.436 3.525 30 20 CHED C[C@H](CNC(=O)C1(C#N)CCCCC1)Cc1cccs1 156378335 BHLXUXOSRGEVHP-ZDUSSCGKSA-N 290.432 3.517 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(O[C@H](C)CC)c1 155883239 SMAUUDRFDOUNGP-CHWSQXEVSA-N 289.379 3.678 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 156949281 ORXNUQMQHVWFEE-SWLSCSKDSA-N 276.767 3.611 30 20 CHED C=CCC[C@@H](NC(=O)NCc1ccn(C)c1)c1ccccc1 159006831 AUZNCXNTJFAQLQ-QGZVFWFLSA-N 297.402 3.532 30 20 CHED CCCC(CCC)C(=O)N[C@@H](C#N)C1CCCCC1 211822871 UUUDIEZGSKKJNK-HNNXBMFYSA-N 264.413 3.791 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1ccc(C#N)s1)C2 232043859 MAGCFIVLMXJJGG-PJODQICGSA-N 274.433 3.924 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)c1sccc1Cl 126472491 GFHPCTFESDMACQ-UHFFFAOYSA-N 290.775 3.545 30 20 CHED COc1ccccc1[S@@](=O)CCCCC(C)(C)C#N 234906243 MIRNCCNRIVFRSL-IBGZPJMESA-N 279.405 3.523 30 20 CHED N#Cc1ccc(OCC2CCOCC2)c2ccccc12 236176749 RFFKKRWNBGMOLF-UHFFFAOYSA-N 267.328 3.517 30 20 CHED C[C@H]1C[C@@H](NCc2cccc(C#N)c2)CC(C)(C)C1 37748749 DAZUKJZEJPAFAT-XJKSGUPXSA-N 256.393 3.863 30 20 CHED N#Cc1cc(Cl)ccc1N[C@H]1CCOC2(CCC2)C1 268953890 JEFFXKDZSZCQSZ-ZDUSSCGKSA-N 276.767 3.725 30 20 CHED CC(C)(NCc1ccc(C#N)cc1)c1ccccc1 65275077 AAXVTIUFDBHWIM-UHFFFAOYSA-N 250.345 3.583 30 20 CHED Cc1ccc(C)c(NCc2ccc(C#N)c(F)c2)c1 190311079 GGFBFQKNJYNDPY-UHFFFAOYSA-N 254.308 3.926 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)cc1F 403985503 HFJDJBVHYDYCIO-HOCLYGCPSA-N 272.367 3.709 30 20 CHED CSC[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 336818586 WELNTOUETCMQFX-ZDUSSCGKSA-N 294.851 3.787 30 20 CHED CCCCCCCC(=O)N(Cc1ccccc1)C[C@@H](C)O 741296330 QISTXQMRBKUMFH-MRXNPFEDSA-N 291.435 3.757 30 20 CHED C=CCN(CC=C)Cc1cc(Cl)nc(Cl)c1 114723875 VLCRIXOPZGBMGR-UHFFFAOYSA-N 257.164 3.562 30 20 CHED C#CCCCN[C@@H](C)c1nc(-c2ccccc2)cs1 178061442 SUPHCFBMSSUWLJ-ZDUSSCGKSA-N 270.401 3.874 30 20 CHED Cc1occc1CN(C)[C@H](C)c1ccc(C#N)cc1 118532710 SPBRUTQLVRAHNQ-GFCCVEGCSA-N 254.333 3.653 30 20 CHED CC(C)(C)CCCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 103636079 IALDAMJCFYGBKS-LBPRGKRZSA-N 283.375 3.956 30 20 CHED Cc1cc(CN2CCC(C#N)CC2)c(O)c(C(C)(C)C)c1 57824092 FGUGVTBGHKPZED-UHFFFAOYSA-N 286.419 3.734 30 20 CHED CCN(CCC#N)C(=O)CCCCCc1cccs1 109151612 CREXPJSJCOCATP-UHFFFAOYSA-N 278.421 3.613 30 20 CHED CCCCCCCC(=O)Nc1nc(C(C)=O)cs1 106167555 BICITHHROXARNJ-UHFFFAOYSA-N 268.382 3.645 30 20 CHED C=CC1CCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 110366031 YSGUZGZARINTQH-GJZGRUSLSA-N 261.409 3.649 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1ccc2c(c1)CCCC2 23677231 VFQJEYYPDRTKGV-LSDHHAIUSA-N 281.403 3.660 30 20 CHED C[C@@H](Cc1ccc(F)cc1)N[C@@H](C)c1ccc(C#N)cc1 62038237 HHMGMFVTGWNKMW-KBPBESRZSA-N 282.362 3.979 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2cccc(F)c2)cc1 29150339 UXRNFBBNVCIFBQ-UHFFFAOYSA-N 282.318 3.879 30 20 CHED CCc1noc([C@H](C)O/N=C(\C)c2cc3ccccc3o2)n1 172411641 QNFLOPPABRAOMH-HPAYWCODSA-N 299.330 3.880 30 20 CHED C[C@H](/N=C/c1cccc(O)c1O)c1ccc(F)cc1F 22769748 GADRIYKPYCUFOU-ZBPACCJBSA-N 277.270 3.556 30 20 CHED C=C(Br)CSc1ncccc1Cl 307471232 WWXXCZJIIFEKHS-UHFFFAOYSA-N 264.575 3.736 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCOc1cccc(C#N)c1 303669008 FVDWBDPPYQJAFO-UWWQBHOKSA-N 284.403 3.590 30 20 CHED COc1ccccc1CSc1ccc(Cl)c(C#N)n1 301592999 RBXBGXWIYGZMRU-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=CC[C@H](C)NC(=O)CSc1ccccc1Cl 116854222 MRGPWDUEWTYXNL-JTQLQIEISA-N 269.797 3.513 30 20 CHED CCc1ccc(CCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 303602815 AJXYOHUNTWVLRX-BEFAXECRSA-N 298.430 3.770 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@H]2Cc2ccccc2)nc1 301359830 LUMNOGDMVMWZOZ-IRXDYDNUSA-N 277.371 3.777 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@H](C)C(C)C 172965169 CCSVAJJKARUOEJ-CHWSQXEVSA-N 257.443 3.577 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(OC(F)F)cc1 174057123 YCYOVDFQGZRUDX-LLVKDONJSA-N 268.307 3.632 30 20 CHED CCCOc1ccc(CNCC(C)(C)CCC#N)cc1 174276730 KRTIVDUQHNJOMM-UHFFFAOYSA-N 274.408 3.895 30 20 CHED C[C@H]1[C@H](C)CCN1c1c(C#N)cnc2ccc(Cl)cc12 301502374 XSZSGQDQQLGRLR-MNOVXSKESA-N 285.778 3.995 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCNC2(CCC2)C1 115858967 YHNDTQOCGKEBTI-MRXNPFEDSA-N 294.483 3.918 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC)C(C)(C)c1ccccc1 119197024 RKCOOOBYWCUVIB-HNNXBMFYSA-N 274.408 3.570 30 20 CHED Cc1csc(-c2cccc(C(=O)NCCCCC#N)c2)n1 172400717 ISOSEHOMBHDODV-UHFFFAOYSA-N 299.399 3.542 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](c1ccccc1)C1CC1 179267862 XGGOIPPBMFJGIR-GOSISDBHSA-N 290.366 3.999 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccsc1 128448406 SEQQTJAJGBDJOG-HWKANZROSA-N 273.313 3.861 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccc(F)c(F)c1 177871569 FSSJETXPWUFFTA-SECBINFHSA-N 271.332 3.601 30 20 CHED C=C(C)COc1cccc(NC(=O)CCc2ccccn2)c1 66463046 LRNXQQASZCQITH-UHFFFAOYSA-N 296.370 3.608 30 20 CHED C[C@@H](SC(=S)N1CCCC1)c1cccc(C#N)c1 189799276 KILGQPSLPDBPGH-LLVKDONJSA-N 276.430 3.733 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCCCCC#N)C1 172374965 IMPVCBZOGYBFLT-HOTGVXAUSA-N 299.418 3.576 30 20 CHED CC#CCCCC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 185804446 FEQRKLNSACMCKX-WBVHZDCISA-N 269.388 3.585 30 20 CHED CC(C)[C@H]1CCCCN1c1nc(C(F)(F)F)ccc1C#N 301252432 AMINBJZAXMOWFT-GFCCVEGCSA-N 297.324 3.987 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)cc1 174907796 FICJICHNCVPVCL-HUUCEWRRSA-N 297.402 3.607 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)c1ccc(Cl)s1 175983372 QKNLAXCFSOSVIZ-RNCFNFMXSA-N 284.812 3.559 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCc1ccccn1 37333976 SOVRBHLZQMNQGQ-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=CC[C@@H](C(=O)NC[C@H]1CC=CCC1)c1ccccc1 187180517 YLHFJJIZGRNRQE-DOTOQJQBSA-N 269.388 3.819 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@@H]2C[C@@H]3OCCC[C@H]32)c1 302556884 LPPAWXAXJJSLNW-SUHUHFCYSA-N 296.292 3.556 30 20 CHED Cc1cc(Nc2ccc(C(C)(C)C#N)cc2)ncc1[N+](=O)[O-] 301448257 RWVKOQSBQAJMGX-UHFFFAOYSA-N 296.330 3.843 30 20 CHED CC(C)[C@@H](Cc1ccc(F)cc1)Nc1ncccc1C#N 301465688 XDTDLTWQVBVVBC-MRXNPFEDSA-N 283.350 3.772 30 20 CHED C=CCCC(=O)NCCCO[C@H]1CCCc2ccccc21 70874305 ATFQHLSORMAZAL-KRWDZBQOSA-N 287.403 3.553 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCC[C@@H](SC)C1 181117460 ZIUSPCIKMPLPJP-ZIAGYGMSSA-N 284.469 3.658 30 20 CHED C=C(C)COc1cccc(NC(=O)NCCCCC)c1 72093571 MRFANUXOAICMMM-UHFFFAOYSA-N 276.380 3.953 30 20 CHED C[C@@H](Cc1ccccc1F)N[C@@H](C)c1cccc(C#N)c1 181553078 VCDUWQSLZKEPKH-KBPBESRZSA-N 282.362 3.979 30 20 CHED C=CCN(C)Cc1cc(=O)oc2cc(CC)c(Cl)cc12 121282572 JVNKANRAFILNHN-UHFFFAOYSA-N 291.778 3.627 30 20 CHED Cc1ccc2cc(C(=O)Nc3ccc(C#N)cc3)ccc2n1 120352707 LFDVZCCBHVEGJH-UHFFFAOYSA-N 287.322 3.667 30 20 CHED N#CCSCCCN1CCC[C@@H](c2ccccc2)CC1 74990136 PTTVTRIYIOZGCD-QGZVFWFLSA-N 288.460 3.903 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 78531620 SEIUIKZFLWYZRF-GJZGRUSLSA-N 283.375 3.521 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1Cl 125716086 NBZXGNYILWPEGS-UHFFFAOYSA-N 262.740 3.527 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1 313435580 ANCSEXJIJDJRIO-OAHLLOKOSA-N 296.395 3.873 30 20 CHED CC#CCCCC(=O)NC[C@@H](c1ccccc1)C(F)(F)F 187771134 RQEIWSJVNWXVMK-AWEZNQCLSA-N 297.320 3.642 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(F)cccc1Cl 217313129 GSEYWJRKEAYDOL-UHFFFAOYSA-N 268.719 3.685 30 20 CHED C=CCN(CCc1ccco1)[C@H](C)c1cccc(C#N)c1 411488565 ISHJBGJAVFWACX-OAHLLOKOSA-N 280.371 3.943 30 20 CHED C=C(C)CN(C)Cc1cccc(OCC(F)(F)F)c1 181256495 QCLLWOWGUBHITG-UHFFFAOYSA-N 273.298 3.636 30 20 CHED C=CCOCCCN[C@]1(c2ccc(Cl)cc2)C[C@H]1C 503412035 SSJNJJBKSOWVAP-CZUORRHYSA-N 279.811 3.757 30 20 CHED C[C@]1(c2ccccc2)CC[C@H](N(CCC#N)CCC#N)C1 188218868 JXVFVSNHUSALNW-ROUUACIJSA-N 281.403 3.626 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1cc(F)cc(F)c1 78473610 KEQJBTPMPPZHCF-UHFFFAOYSA-N 295.333 3.758 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1 410528636 SUCWDAYOXPNTQR-GOEBONIOSA-N 270.376 3.737 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCC1(C#N)CCC1 416346984 NOCLCTNAYYNSBF-LSDHHAIUSA-N 296.414 3.786 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)Cc2ccsc2)c1 48833075 CHKMRGRAQWMBOS-RCEBRVLHSA-N 275.373 3.512 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 180951086 FCFKYUHCJQWTNQ-GHMZBOCLSA-N 285.334 3.912 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(OC(C)C)cc1 188278234 JXTZYNOSOQLORH-QGZVFWFLSA-N 291.391 3.641 30 20 CHED CC[C@@H](CC#N)NCc1ccc(SC(F)F)cc1 184094230 COZLGADAZYDXDI-NSHDSACASA-N 270.348 3.783 30 20 CHED C=CCOc1ccc(CN2CCCC3(CC3)C2)cc1OC 186608680 MTRSUQGWEYOYJP-UHFFFAOYSA-N 287.403 3.636 30 20 CHED Cc1cc2ccccc2n1CC(=O)OCC1(C#N)CCCC1 183869432 MTZNLMOKPKOJCG-UHFFFAOYSA-N 296.370 3.577 30 20 CHED Cc1c(C#N)cccc1C(=O)NCCC1=CCCCCC1 509324906 QJHWKRCPNGKSQI-UHFFFAOYSA-N 282.387 3.877 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cn(C)nc1C 414310094 VZNMWORIUSIAPO-RHSMWYFYSA-N 283.419 3.567 30 20 CHED CC(C)(C#N)CCCOc1cc(Cl)cc(C#N)c1 287381419 ACCWTFVWLRRBJN-UHFFFAOYSA-N 262.740 3.920 30 20 CHED CC(C)(C#N)CCCN1CCC[C@H]1c1ccc(O)cc1 610447546 NEXSAJJCIULLDD-INIZCTEOSA-N 272.392 3.859 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(F)cc1Cl 191123542 BAAVNTJZSQFRNE-JTQLQIEISA-N 291.757 3.540 30 20 CHED CCCCO[C@H](C)C(=O)Nc1ccc(Cl)cc1CC#N 410973870 XCDLDVPGTDKZBD-LLVKDONJSA-N 294.782 3.550 30 20 CHED N#Cc1cccnc1N[C@H]1CCOc2c(Cl)cccc21 49322365 QCRZGVTUQSMOHB-ZDUSSCGKSA-N 285.734 3.542 30 20 CHED C=C[C@@H](CC(=O)N(C)CCC(C)C)c1ccccc1 131536838 JKCOZSXOXOKOEZ-HNNXBMFYSA-N 259.393 3.851 30 20 CHED CCc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 41545480 RKRAEFMJNNIFAE-AWEZNQCLSA-N 290.322 3.880 30 20 CHED C=CCOc1ccc(OCc2ccc(Cl)nc2)cc1 131917927 KXGKUAGBPCXTCC-UHFFFAOYSA-N 275.735 3.879 30 20 CHED C[C@@H]1Cc2ccccc2[C@@H]1/N=C(/O)[C@@H]1CCCCC(O)=N1 329833941 GRGFQMYINHJJNS-DIOULYMOSA-N 286.375 3.776 30 20 CHED C=CCC[C@H](C)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 382503696 LVQUUCUJAWBMIH-ZNMIVQPWSA-N 296.455 3.624 30 20 CHED CC(C)C[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425470818 HSXXKVXIHIHCBI-KBPBESRZSA-N 287.407 3.695 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)NCc1ccc(C#N)s1 421604885 ROBYAJDDUYLXHC-GFCCVEGCSA-N 290.432 3.842 30 20 CHED Cc1ccc(C#N)c(NC[C@@H](C)COCc2ccccc2)n1 160786127 ONXVQDHTNNNHDS-CQSZACIVSA-N 295.386 3.527 30 20 CHED Cc1nc2ccc(N=C(O)C[C@H]3CCC[C@H](C)C3)cn2n1 329009576 OENWHRRHLFZZIJ-AAEUAGOBSA-N 286.379 3.842 30 20 CHED Cc1ccc(C#N)cc1NCc1scnc1C1CC1 426141372 CTGIXZDSZFPQNZ-UHFFFAOYSA-N 269.373 3.813 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 519170912 ZVRJMJOODMUBSI-CYBMUJFWSA-N 295.342 3.818 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]1c1cccs1 425200177 JVCYHFNCYWGMTR-LBPRGKRZSA-N 299.355 3.869 30 20 CHED C=CCN(CCc1ccccc1)Cc1cc(C#N)cs1 512051814 KQDQIFGGYMMVSY-UHFFFAOYSA-N 282.412 3.850 30 20 CHED C=CCC1(C(=O)OCc2nc(-c3ccccc3)no2)CCC1 192115385 NKPQQMOJAPGABG-UHFFFAOYSA-N 298.342 3.526 30 20 CHED Cc1ccc(CNCc2ccc(C#N)s2)cc1C 421347944 GKOXKIPEFUXLRP-UHFFFAOYSA-N 256.374 3.526 30 20 CHED C=CC1CCN(C(=O)c2cc(C)c(C)cc2Cl)CC1 510973907 LAWIWKOHATYAOI-UHFFFAOYSA-N 277.795 3.995 30 20 CHED Cn1cc(CN[C@H](c2cccc(F)c2)C(C)(C)C)cc1C#N 191292053 YLALUNDZSJYVEA-QGZVFWFLSA-N 299.393 3.913 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1NCCCC 193122227 AZBYISMRLQSLBL-UHFFFAOYSA-N 272.392 3.713 30 20 CHED C=CCCN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 338564989 UYYLFUNUHZPIFH-ZDUSSCGKSA-N 263.381 3.709 30 20 CHED C=C(CNC(=O)N1C[C@@H](C)CC(C)(C)C1)c1ccccc1 512681903 RPOOEIGNHBLSRB-AWEZNQCLSA-N 286.419 3.777 30 20 CHED C=CCCOCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 146597418 RZAYQHJQPTXQEE-ZDUSSCGKSA-N 287.359 3.545 30 20 CHED C[C@H](Nc1ncc2c(c1C#N)CCC2)c1c(F)cccc1F 425212464 DZCYYFCQXDNOAS-JTQLQIEISA-N 299.324 3.893 30 20 CHED CCc1ccnc(C/N=C(/O)N[C@@H]2CCCC[C@@H]2CC)c1 331253221 ZWGGQYFOWDWVDZ-GOEBONIOSA-N 289.423 3.616 30 20 CHED N#Cc1ccccc1C[S@](=O)CCCCc1ccccc1 339152179 QYKHPQJWWNUVAN-OAQYLSRUSA-N 297.423 3.830 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1nc(Cl)c(C#N)s1 233811663 LWCZBISNGKNPKC-JGVFFNPUSA-N 287.841 3.754 30 20 CHED CC(C)[C@H]1N(C(=O)Nc2cccc(C#N)c2)CC12CCCC2 333781989 BWBZMCCXBDRYOX-MRXNPFEDSA-N 297.402 3.991 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)C(C)(F)F 338687845 OHHRGTFZSIGCPC-JTQLQIEISA-N 273.348 3.554 30 20 CHED C=CCN(C(=O)c1ccc(Cl)c2ncccc12)C1CC1 337797159 FZCGJQDKVOQHCH-UHFFFAOYSA-N 286.762 3.679 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)NCC1(CC#N)CC1 431097039 MEGOSXLZQMCLRR-OAHLLOKOSA-N 276.424 3.793 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C(C)C)s1 437497428 MMFWAERRWJNQEN-DOMZBBRYSA-N 293.432 3.583 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(OC)c(C)cc1C 439401265 HYHUAKNIDGCFFO-ZDUSSCGKSA-N 276.380 3.788 30 20 CHED CCC(C#N)(CC)c1nc([C@H]2CCC[C@@H](C)C2)no1 528113948 KENMYHNZFCVYSU-NEPJUHHUSA-N 261.369 3.945 30 20 CHED C=CCC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 349346111 WYBCWDYTXZBEBL-XIRDDKMYSA-N 254.377 3.976 30 20 CHED C=CCNC(=O)N(CCC)Cc1c(F)cccc1Cl 520161335 XRKZEDDDVDVCQI-UHFFFAOYSA-N 284.762 3.587 30 20 CHED Cc1ccnc(N2Cc3ccccc3C3(CCC3)C2)c1C#N 343227755 OIYIXIWFHRGTKT-UHFFFAOYSA-N 289.382 3.704 30 20 CHED C=CCN(Cc1cccs1)Cc1ncc(CC)s1 346152279 ZSPDHZKQZDGSRC-UHFFFAOYSA-N 278.446 3.955 30 20 CHED C[C@H]1CC[C@H](NC(=O)c2cccc(SCC#N)c2)CC1 247062521 PEOLFPGLWPTTCL-MQMHXKEQSA-N 288.416 3.611 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(Cl)cc1F 349102490 AUEGLDKVZLMDPV-OWOJBTEDSA-N 258.683 3.916 30 20 CHED N#CCCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 345151874 ONARJAOTBPPXRG-UHFFFAOYSA-N 296.157 3.508 30 20 CHED C[C@H](c1ccccc1Br)N(C)CC(C)(C)C#N 433305149 MUIJZSASWYEHRC-LLVKDONJSA-N 295.224 3.992 30 20 CHED CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC[C@H](C)CCC#N 602554578 BNAZEJKTDYUPPI-IOASZLSFSA-N 294.826 3.945 30 20 CHED C=CCCCCCN(C)C(=O)CO[C@@H]1CCCC[C@H]1C 606813932 CBTRMRFSCFQKIL-HZPDHXFCSA-N 281.440 3.787 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@@H](C)C[C@H]2C)c1 607202486 YQSSJTYOPKXLPM-QWHCGFSZSA-N 274.364 3.514 30 20 CHED C[C@@H](CCC#N)CNc1cc(F)ccc1OC(F)F 602497406 UTLLWVYDROKMCQ-VIFPVBQESA-N 272.270 3.779 30 20 CHED N#Cc1cc(F)ccc1-c1ccc(C2CCNCC2)cc1 600790302 YKDCCKLPRWOWCC-UHFFFAOYSA-N 280.346 3.831 30 20 CHED C=CCC(C)(C)c1noc(-c2conc2C(C)C)n1 528201519 BQOHIABJBYWRKF-UHFFFAOYSA-N 261.325 3.702 30 20 CHED Cc1ccc([C@@H](C)CN(CCC#N)Cc2ccccn2)cc1 600116985 ICXNRSNSZHMJCJ-KRWDZBQOSA-N 293.414 3.909 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2ccc3cc[nH]c3c2)no1 346122353 MXEVKBAYQRVWGJ-UHFFFAOYSA-N 290.282 3.658 30 20 CHED N#Cc1cccc(Cl)c1NCCc1ccc(O)cc1 433798607 JFXVVMSKNOLEGM-UHFFFAOYSA-N 272.735 3.572 30 20 CHED CCC(C#N)(CC)c1nc(-c2cc(F)cc(F)c2)no1 528095621 IUGRVFIWRZLFNA-UHFFFAOYSA-N 277.274 3.596 30 20 CHED C=CCCC(=O)N1C[C@@H](c2cccc(OC)c2)C(C)(C)C1 529729800 XMEJEQKZHXZMGQ-INIZCTEOSA-N 287.403 3.613 30 20 CHED O=C1/C(=C\c2cccs2)COc2c(F)cccc21 255636467 DTSPZSRHMPGUOY-CLFYSBASSA-N 260.289 3.546 30 20 CHED N#Cc1cnc(NC[C@H]2CCOc3ccccc32)c(Cl)c1 343041937 JCIUMBKFZGJBHN-GFCCVEGCSA-N 299.761 3.585 30 20 CHED C=CC[C@@H]1N(C(=O)NCCCSC)CCCC1(C)C 445153403 UIHWLIFELNXWEI-ZDUSSCGKSA-N 284.469 3.516 30 20 CHED COCC1(CNC2CCC(C)(C#N)CC2)CCCCC1 449337977 QXCSOJASHKGSAN-UHFFFAOYSA-N 278.440 3.645 30 20 CHED N#Cc1ccc(S[C@H]2CCO[C@H](c3ccncc3)C2)cc1 600520287 IIYAEUUPLQQVQX-IRXDYDNUSA-N 296.395 3.966 30 20 CHED N#Cc1ccc(CSCc2nc(-c3ccoc3)no2)cc1 445457094 LQDLJHWMXRAIBN-UHFFFAOYSA-N 297.339 3.635 30 20 CHED CCc1csc([C@@H](C)Nc2ncc3c(c2C#N)CCC3)n1 601182301 TWDLDDXJZJHNCM-SNVBAGLBSA-N 298.415 3.634 30 20 CHED C[C@H](CNc1cccc(CC#N)c1)CC1CCOCC1 449705656 YOUSINVYUOPVDO-AWEZNQCLSA-N 272.392 3.617 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)Nc1cc(CC#N)ccn1 532784840 MSDUUWBNJPETDE-AWEZNQCLSA-N 285.391 3.693 30 20 CHED Cc1ccc(O[C@H](C)CN[C@@H](C)c2ccc(C#N)cc2)cc1 538392973 FQIIJOBROVKOAT-CVEARBPZSA-N 294.398 3.985 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 536747195 OWGRRTIHCNVFOA-RRFJBIMHSA-N 276.424 3.705 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CC[C@H](C)C2)c1 444146663 UXJMGEJIXWXEJI-GXTWGEPZSA-N 274.364 3.562 30 20 CHED N#Cc1ccsc1NC(=O)Cc1cc2ccccc2o1 604382279 GUDKHJRWALIRDS-UHFFFAOYSA-N 282.324 3.547 30 20 CHED C=CCN(CCC#N)C(=O)c1cccc(Cl)c1Cl 359371116 CYVATJSRCAHKKG-UHFFFAOYSA-N 283.158 3.535 30 20 CHED N#C[C@H](C(=O)c1ccc(C2=CCCC2)cc1)c1ccncn1 355211683 ZEMNQHFBUPWCMY-INIZCTEOSA-N 289.338 3.534 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCc2ccccc2C1 537260888 NUVLVHWECLJELK-OAHLLOKOSA-N 286.419 3.889 30 20 CHED Cc1sccc1NC(=O)[C@H](C#N)CCc1ccccc1 601822820 DJSTTZAAVHIBHX-AWEZNQCLSA-N 284.384 3.768 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(C#N)cc1 609117118 VOCLANMASSFWJS-IAGOWNOFSA-N 284.403 3.576 30 20 CHED N#C[C@@H]1CC[C@@H](NCCSc2ccc(Cl)cc2)C1 442634711 HOCPVCARAYIZTR-DGCLKSJQSA-N 280.824 3.714 30 20 CHED C=CCCC1(C(=O)Nc2ccc(OC)c(OCC)c2)CC1 354695159 BLOMXJUNAUWYAL-UHFFFAOYSA-N 289.375 3.779 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](CC(C)C)C1 538288842 QQUZWGTZWAROOZ-CABCVRRESA-N 266.429 3.809 30 20 CHED CCCN(C(=O)c1cccc(SCC#N)c1)C(C)(C)C 444736297 QGPINVRLTJFXPL-UHFFFAOYSA-N 290.432 3.953 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(C#N)c(OC)c1 442893248 XFCXOADCOBKVDQ-CYBMUJFWSA-N 292.448 3.530 30 20 CHED C=CCC[C@H](NC(=O)C[C@H]1C[C@@H]1C)c1ccccc1 355186865 WZTJELNKRMCPFZ-IMJJTQAJSA-N 257.377 3.856 30 20 CHED COc1ccccc1-c1ccc([C@@H](C)N(C)CC#N)cc1 266039467 VNWQZWVPDZTHAM-CQSZACIVSA-N 280.371 3.879 30 20 CHED COC[C@@H](Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 612876455 ZOJLUSOOFRDMNO-MRXNPFEDSA-N 288.297 3.636 30 20 CHED C=CC(C)(C)C(=O)N1CCC(Cc2cccc(F)c2)CC1 448734900 CPQNEVOMVBZRLP-UHFFFAOYSA-N 289.394 3.819 30 20 CHED C=C(C)[C@H](CC(=O)N(C)CCC1CCCCC1)OCC 533679306 DRHDVBMGYGPYAU-INIZCTEOSA-N 281.440 3.787 30 20 CHED CCC1(C(=O)N[C@H](C)c2ccc(C#N)cc2)CCCC1 268324903 LVOQHGCFELIGSS-CYBMUJFWSA-N 270.376 3.706 30 20 CHED C=CC[C@H](CO)CN[C@@H]1C[C@@H](C(C)C)c2ccccc21 447588540 VIZCNCOLMVXDAF-JCGIZDLHSA-N 273.420 3.645 30 20 CHED C=CCN(C(=O)c1cccc(-c2ccoc2)c1)C1CC1 357514833 XGCURPHXVXXJDC-UHFFFAOYSA-N 267.328 3.737 30 20 CHED Cc1cnc([C@H](C)SCCOc2cccc(C#N)c2)o1 356109223 VMRZNFMHMSDNTM-LBPRGKRZSA-N 288.372 3.728 30 20 CHED C[C@H](N=c1ccn(CCC#N)[nH]1)c1cccc2ccccc12 531495948 YANUUCAQBUAWAP-AWEZNQCLSA-N 290.370 3.545 30 20 CHED CC(C)n1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cn1 268806120 MFXIHCPNGYYMAH-KGLIPLIRSA-N 282.391 3.747 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1cc2ccccc2s1 267216114 IKTISDYSPNZBNQ-ZDUSSCGKSA-N 272.373 3.569 30 20 CHED C=CCC1(NC(=O)Cc2occc2C)CCCCC1 615961925 UWUXLIIQGGVIIW-UHFFFAOYSA-N 261.365 3.526 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2cccc(CC#N)c2)C1 456749194 KMJHVJODHKIOHO-OCCSQVGLSA-N 256.349 3.517 30 20 CHED Cc1cncc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1 361670543 QFSPQJWRRWNGLK-UHFFFAOYSA-N 293.370 3.565 30 20 CHED C=CCCC1(C(=O)N(C)[C@@H]2C[C@@H](OCC)C23CCC3)CC1 361932715 NQIXVAYEOPLVKL-HUUCEWRRSA-N 291.435 3.539 30 20 CHED CCCCN(CC)C(=O)Nc1cc(C)cc(C#N)c1 455983059 IITDUEKWLMMZQQ-UHFFFAOYSA-N 259.353 3.521 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)Nc1cccc(CC#N)c1 455908588 ADHHUHGOWXZHDM-STQMWFEESA-N 273.380 3.699 30 20 CHED CC(C)c1ccc(Cc2noc([C@@]3(C#N)C[C@H]3C)n2)cc1 453054683 BKCARENWFYPZHY-SJKOYZFVSA-N 281.359 3.585 30 20 CHED C=CCC1(NC(=O)Cc2c(F)cccc2F)CCCC1 619107801 JMIVSIALERWFQV-UHFFFAOYSA-N 279.330 3.512 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612098571 UZJUGWYXZFWJBJ-SJLPKXTDSA-N 299.418 3.863 30 20 CHED C=C(C)CCN(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 452025352 ZQXATJOXLUUDDW-WKILWMFISA-N 259.393 3.839 30 20 CHED CC[C@@H](Nc1cnn(CC(C)C)c1)c1ccc(C#N)cc1 278771191 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CC[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(C#N)c1 902895462 ZKWQACFGSCEKHT-XMTFNYHQSA-N 296.414 3.557 30 20 CHED Cc1ccc(C(C)C)c(OC(=O)c2ccc(C#N)n2C)c1 835046516 RZLWZKTULIQPKJ-UHFFFAOYSA-N 282.343 3.548 30 20 CHED CC(=NOCCOCC1CC1)c1cc2ccccc2o1 588422171 LGPMGHNQDVJXOT-UHFFFAOYSA-N 273.332 3.600 30 20 CHED CCO[C@H]1CCC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 902983430 ZMHBDKMXLXGUPX-CABCVRRESA-N 292.810 3.649 30 20 CHED COCC#CCN(C1CC1)[C@H](C)c1ccc(Cl)cc1 677819173 TWANWELMMOIBBQ-CYBMUJFWSA-N 277.795 3.515 30 20 CHED C=C[C@@H](CC)Cc1nc([C@H]2CCCCS2)no1 904028511 GBPZUERHWLNDQC-WDEREUQCSA-N 252.383 3.783 30 20 CHED COc1ccc(O)c(/C=N/[C@H](Cc2ccccc2)C2CC2)c1 736430789 HWZKRHOVBVIRBV-JZQBQCRLSA-N 295.382 3.841 30 20 CHED C=CC(C)(C)COC(=O)CSCc1ccc(C#N)cc1 835726192 NVHKRVQSQWQEGU-UHFFFAOYSA-N 289.400 3.547 30 20 CHED C=CCC1(C(=O)OCC/C=C\Br)CCC1 835797779 OQPDEUOVUFMHGK-OQFOIZHKSA-N 273.170 3.575 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)[C@]1(C#N)CC12CCCC2 837903655 WTMRKIINQZWYSO-BLLLJJGKSA-N 261.365 3.582 30 20 CHED C=CCOc1cccc(CN(C)Cc2cccc(O)c2)c1 676414576 URWJSEJIJICLNL-UHFFFAOYSA-N 283.371 3.589 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1NCc1ccccc1 679244119 TYSQPYUBUKWLQH-UHFFFAOYSA-N 294.398 3.947 30 20 CHED C=CC[C@@H](CC)NC[C@@H](O)COc1ccc2ccccc2c1 584834922 JMWJHKHYCSGGRN-QZTJIDSGSA-N 299.414 3.524 30 20 CHED C=CCC1(NC(=O)C[C@H]2CSCCS2)CCCCC1 836957247 RQABLMSLWNQDTD-ZDUSSCGKSA-N 299.505 3.620 30 20 CHED Cc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)cc1C#N 592983698 HZBWEOKXQQIFDS-GOSISDBHSA-N 279.339 3.701 30 20 CHED C=C[C@@H](C)NC(=O)c1sc2cc(F)ccc2c1Cl 674955178 CRVJZJPFNDJYCV-SSDOTTSWSA-N 283.755 3.998 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)c2cccc(F)c2)c1 741921752 ZDMPNPSHQVXOAG-CQSZACIVSA-N 295.357 3.964 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)CC1(C#N)CCCCC1 597262948 QASRCCVVPOPUOW-OAHLLOKOSA-N 276.424 3.888 30 20 CHED CC[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)CCO1 590647082 QKHASSAEXHHJMD-BBWFWOEESA-N 272.392 3.579 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)n1 598857326 PXBFNDHNYLKZEY-QWHCGFSZSA-N 285.391 3.581 30 20 CHED CC[C@H](OCCN(CC)C[C@@H](C)C#N)c1ccccc1 593001830 KGGGRMXNFNCIET-RDJZCZTQSA-N 274.408 3.636 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1cccc(C#N)c1 590085383 DSYJWUDKXRDPAA-CYBMUJFWSA-N 285.391 3.521 30 20 CHED CC(C)(C#N)CCCOc1cccc2c1OCCCO2 596304010 YQTARSYTSUNTDK-UHFFFAOYSA-N 275.348 3.557 30 20 CHED C[C@H](CCN1CCC[C@H](CC#N)C1)OCc1ccccc1 595623065 GCZUAHUNSZLCJO-IAGOWNOFSA-N 286.419 3.607 30 20 CHED CC(C)(CC#N)C/N=C(/Nc1ccccc1)N1CCCCC1 849040875 WCSAOZCEARWKCY-UHFFFAOYSA-N 298.434 3.880 30 20 CHED N#Cc1ccc(N(C(=O)[C@H]2CC=CCC2)C2CCC2)cc1 598885897 SZCHHSWYBYORIM-HNNXBMFYSA-N 280.371 3.800 30 20 CHED C/C(=C/c1ccco1)C(=O)OCCCC(C)(C)C#N 848835635 BQOFYEFRCVZDJH-BENRWUELSA-N 261.321 3.556 30 20 CHED Cc1ccc(C2(C(=O)N3CCC[C@@H](CC#N)C3)CCC2)cc1 597902723 ULTWQBIJCRUQTN-INIZCTEOSA-N 296.414 3.569 30 20 CHED C=C(C)CN(CC)C(=O)NC1CCCCCCC1 915884859 ZAVARSFCIGWHRJ-UHFFFAOYSA-N 252.402 3.707 30 20 CHED N#Cc1cccc(NN=C/C=C\c2ccc(F)cc2)c1 747751943 SKOAUUZXGUNFBQ-SNJWDDIRSA-N 265.291 3.808 30 20 CHED C(=NNCc1ccccc1)c1ccc2ccccc2c1 916344457 IVFVXOWMKUHNJE-UHFFFAOYSA-N 260.340 3.964 30 20 CHED CCCCOc1ccc(C(=O)/C=C\c2cc(C)n(C)n2)cc1 840719251 GVFPRGXDKPHKFI-FLIBITNWSA-N 298.386 3.804 30 20 CHED C=C(Cl)CN1C[C@@H](C)C[C@@H]1c1ccccc1F 743855915 BPTXIOXGIBDFQK-IINYFYTJSA-N 253.748 3.961 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCSc1ccc(Cl)cc1 594100046 CILOJSMJCTUUJU-GFCCVEGCSA-N 296.823 3.583 30 20 CHED CN(C[C@H]1CC1(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 598551138 QPOYRPPOSPQUKR-OAHLLOKOSA-N 284.403 3.606 30 20 CHED Cc1ccc(C(=O)OCC(C)(C)C#N)c2ccccc12 842330728 CCZXYRXUZMAYSV-UHFFFAOYSA-N 267.328 3.855 30 20 CHED COc1cccc(NN=C2CCc3c(F)ccc(F)c32)c1 749612607 OVVBBUFYZXDBBF-UHFFFAOYSA-N 288.297 3.736 30 20 CHED CC[C@@](C)(C/N=C\c1c(O)ccc2ccccc12)OC 840708713 YJGMHQWLKGAXIT-PBXDPIQXSA-N 271.360 3.779 30 20 CHED CCn1c(C)cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1C 749062305 MOAYYUFBDATOHM-CQSZACIVSA-N 296.370 3.915 30 20 CHED C[C@H](OC(=O)CCc1ccccc1F)c1ccc(C#N)cc1 748683460 FAUIXXLKKHFSQY-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED N#Cc1csc(C=NNc2ccc3ccccc3n2)c1 748075697 WXGXGEKBJVBLOO-UHFFFAOYSA-N 278.340 3.614 30 20 CHED CC#CCCCC(=O)NC1(c2ccc(F)cc2)CCC1 680997969 ZOTYCAIMLYHODU-UHFFFAOYSA-N 273.351 3.515 30 20 CHED C[C@@H](C#N)N(Cc1c(Cl)cccc1Cl)C1CC1 595714208 PDWOYQYUOMTOLH-VIFPVBQESA-N 269.175 3.870 30 20 CHED C=CCOC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 744042012 BGUPSSBVXSKCCQ-NWDGAFQWSA-N 271.143 3.826 30 20 CHED CCC(CC)NN=C(C)Cc1nc2ccccc2s1 749164706 LIAZRSBTFSZQDF-UHFFFAOYSA-N 275.421 3.993 30 20 CHED C[C@H]1SCC[C@H]1Nc1c(Cl)cccc1C#N 591998146 GVWGQAUQMPYFEO-LDYMZIIASA-N 252.770 3.518 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCC[C@H]1CCOC1 840708683 DAGZOMXEXOPEHS-BXUJETTOSA-N 283.371 3.781 30 20 CHED C=C(C)CCOC(=O)CCc1ccc(Cl)cc1 744300349 WJPNYLOWBOMYPN-UHFFFAOYSA-N 252.741 3.782 30 20 CHED Cc1ccccc1COC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 840608365 NDIFLFIKSHQCIV-ZWKOTPCHSA-N 291.350 3.714 30 20 CHED C=CC[C@H]1N(Cc2cc(C)ccn2)CCCC1(C)C 683528250 HILJCRBSSVSXNL-MRXNPFEDSA-N 258.409 3.957 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H](C)CC(C)(C)C#N 926118108 YLLDZIUGFBCLLO-OLZOCXBDSA-N 271.364 3.718 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@H](C2CCC2)C1)c1ccncc1 840301481 VBYBXHZRRJCAKP-IRXDYDNUSA-N 299.418 3.530 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2CCc3cc(C)ccc32)c1 920178554 TULAIMPOGOSDKC-WAKXPGHKSA-N 281.355 3.816 30 20 CHED CC(=NOCC(F)F)c1sc2nc(C)nc(C)c2c1C 758904157 NGOJUANNLWENLS-UHFFFAOYSA-N 299.346 3.622 30 20 CHED C[C@]1(C=NNc2ncc(Cl)cn2)C[C@@H]1c1ccccc1 857221204 UBBPTXMILSDUGU-UKRRQHHQSA-N 286.766 3.722 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cc(C)c(C)cc2C)[nH]1 751512790 KQFDHPIOPDKETL-SOFGYWHQSA-N 297.354 3.623 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2c(F)cccc2F)c1 757468905 VNCNRBQDBASZPM-SOFGYWHQSA-N 290.265 3.575 30 20 CHED CCc1ccsc1C(=O)OCc1ccc(F)c(C#N)c1 758936974 BRZXRBOJBXSEMW-UHFFFAOYSA-N 289.331 3.678 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(-n2ccnc2)cc1 920384291 QSBVWMXJPBQLGT-UHFFFAOYSA-N 294.333 3.848 30 20 CHED C=C(C)CNC(=O)Nc1cccnc1Oc1ccccc1 681768608 LZONTJUBJBQSAG-UHFFFAOYSA-N 283.331 3.572 30 20 CHED C=CCCCC(=O)Nc1cnc(C)c(Br)c1C 928741891 HHLXCCBJLKHOEF-UHFFFAOYSA-N 297.196 3.756 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)cc1 755707601 ZYQVDKXXKPRCIN-YVMONPNESA-N 287.309 3.927 30 20 CHED Fc1cccc(NN=Cc2ccc(Cl)s2)c1 920386053 OULKMVHTYKCECR-UHFFFAOYSA-N 254.717 3.987 30 20 CHED C1CCCN([C@H]2CCCCC2=NO[C@H]2CCCCO2)CC1 755813065 BRCDCFRQZXWBDV-IRXDYDNUSA-N 294.439 3.704 30 20 CHED COC1(C(C)=NNc2ccc(Cl)cc2)CCC1 853254878 JYILNMHLDZLAQD-UHFFFAOYSA-N 252.745 3.697 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@H](C)c1ccncc1 851299337 HLFFPOJPMAXNIE-ZDUSSCGKSA-N 261.365 3.721 30 20 CHED CC(C)C=NNc1c(F)cc(F)cc1Br 755746874 SHVNVCURNQXUSD-UHFFFAOYSA-N 277.112 3.781 30 20 CHED FC(F)CON=Cc1ccc(Cl)cc1Br 758906074 AISSUCQKKCYBQZ-UHFFFAOYSA-N 298.514 3.718 30 20 CHED Cc1cscc1C(=O)OCc1cn2ccccc2c1C#N 750382279 AJAQGJYLAFFYRI-UHFFFAOYSA-N 296.351 3.538 30 20 CHED CCCCCCCNc1nc(C2CCOCC2)ns1 858649953 IVOJRDXKGYLVJO-UHFFFAOYSA-N 283.441 3.814 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C=C1CCCC1 752048040 OJWAJCWVCGHNQB-ZWKOTPCHSA-N 294.398 3.785 30 20 CHED C=CC[C@@H](NC(=O)N1CC[C@](C)(CC)C1)c1ccncc1 758779844 OQSZOUSRXMBQDE-WBVHZDCISA-N 287.407 3.530 30 20 CHED CC[C@@H]1CC(=NNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 756826051 SXRLJAUAKJCZOJ-LLVKDONJSA-N 297.742 3.605 30 20 CHED C#C[C@@H](C)OC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 751848512 IVLVZEISXHZYBR-SNVBAGLBSA-N 299.757 3.944 30 20 CHED Cc1nnc([C@H](C)/N=C\c2c(O)ccc3ccccc23)s1 758815360 KCUHNDXUZDPDOW-HLGUWXJESA-N 297.383 3.885 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)s1)c1cc(F)ccc1F 750396363 YOUJMCPYUKTLKJ-QMMMGPOBSA-N 293.294 3.816 30 20 CHED Fc1ccc(C=NNC2CCCC2)cc1C(F)(F)F 755689744 SFGXDYXKTGQGEY-UHFFFAOYSA-N 274.261 3.711 30 20 CHED CC[C@H]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 755727211 XRJJQZVGHTZHGK-JTQLQIEISA-N 293.823 3.640 30 20 CHED C/C=C(/C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 751350554 BZQIHZHWZCGLCY-BASWHVEKSA-N 293.326 3.650 30 20 CHED C=CCCNc1cccc2c1CCN2C(=O)OC(C)(C)C 753979317 RDEXCBJMUSFRHN-UHFFFAOYSA-N 288.391 3.972 30 20 CHED CC(=NOCC(F)F)c1ccc2c(c1)CCCC2 758903749 PMQRCDUWYBFKIP-UHFFFAOYSA-N 253.292 3.571 30 20 CHED C/C=C(\C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 752376038 HUXTUHZOOPTWPD-XCVCLJGOSA-N 283.356 3.586 30 20 CHED CCSc1ccc(Cl)cc1C(=O)O[C@@H](C)C#N 752573640 NSPRPBFCIVDPCJ-QMMMGPOBSA-N 269.753 3.521 30 20 CHED C=C1CCN(C(=O)c2ccnc3cc(Cl)ccc23)CC1 932037346 CMXFRMVIEURRJM-UHFFFAOYSA-N 286.762 3.680 30 20 CHED C#CCN(Cc1ccc(OC(F)F)c(Cl)c1)C1CC1 764684577 YRXFPCUSPRDJNW-UHFFFAOYSA-N 285.721 3.539 30 20 CHED C#CCC1(C(=O)N2CC(c3ccccc3)C2)CCCCC1 869809226 ARICJSLXOMEFLY-UHFFFAOYSA-N 281.399 3.586 30 20 CHED C#CCCc1noc(CCc2ccc(C(C)C)cc2)n1 762010767 QFEUWSCMWDOLSF-UHFFFAOYSA-N 268.360 3.544 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(C)cc1O 767010615 KYGTWYXWJXMJBN-UHFFFAOYSA-N 254.333 3.845 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cscn1 767907880 HYYUMHDWVLNBIV-UHFFFAOYSA-N 296.739 3.541 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1cnc(C)s1 761249677 KZTKXLRTRBDCNN-UHFFFAOYSA-N 265.769 3.941 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCc3ccccc3C2)c1 768374865 MJFWAZBIFKZOCC-UHFFFAOYSA-N 296.761 3.563 30 20 CHED CCc1noc(C)c1C(C)=NNc1ccc(F)cc1 769798180 QVPMYUOTHJSTFY-UHFFFAOYSA-N 261.300 3.521 30 20 CHED Oc1nc2ccccc2cc1/C=N\[C@@H]1CCC(F)(F)C1 763097127 PRAKJWYEMGEHDS-HALGXTDHSA-N 276.286 3.547 30 20 CHED CC1(C)CCCN(C(=O)CCCc2ccsc2)[C@@H]1C#N 765161271 UPRMHMSYCODAOK-CQSZACIVSA-N 290.432 3.612 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C[C@@H]1CCC[C@@H](C)C1 767151574 BUQOXSVOVQWXPX-CHWSQXEVSA-N 289.341 3.617 30 20 CHED CSC[C@@](C)(C#N)NC(=O)/C(C)=C/C1CCC(C)CC1 875715033 ZOONXLMCBOSUSW-LENRPUBZSA-N 294.464 3.520 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H]1c1cccc(N(C)C)c1 876749108 KEAUFSCSQIBUED-CRAIPNDOSA-N 285.435 3.829 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H]1COC2(CCCCCC2)O1 777313562 IHQOPDIDHUIVEQ-HRCADAONSA-N 281.440 3.643 30 20 CHED N#C[C@H](OC(=O)/C=C/c1cccs1)C1CCCCC1 776361582 RDFVKNRQJZEREV-VFNNOXKTSA-N 275.373 3.777 30 20 CHED COCC(=NN[C@@H](Cc1ccccc1)C(C)C)C(C)C 777448090 LIZUPABEZKUBLJ-INIZCTEOSA-N 276.424 3.502 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)ccc1F 1116377903 SAFIXCPRAPXVEX-QPJJXVBHSA-N 286.302 3.744 30 20 CHED N#CC1(CSCc2cnc3ccccc3c2)CC1 1118039967 CWSRSZHIGIIBFE-UHFFFAOYSA-N 254.358 3.772 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCC[C@H](SCC)C1 779926345 OZJIGYBWVFPDSI-CABCVRRESA-N 281.465 3.751 30 20 CHED CO[C@@H]1CCC[C@H]1C/N=C\c1c(O)ccc2ccccc12 774543528 XDKHMWANOCOLBN-CCWMHJGJSA-N 283.371 3.779 30 20 CHED C[C@H](CC(=O)OCCC(C)(C)C#N)CC(C)(C)C 776376341 BUMNFFPGEIPARE-GFCCVEGCSA-N 253.386 3.932 30 20 CHED C=C(C)CCC(=O)N(Cc1ccco1)c1ccccn1 1120975574 CZMGHXVXZIKKMV-UHFFFAOYSA-N 270.332 3.564 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2ccc(C#N)cc2F)C1 1129522217 KXNILEGNHOSDQJ-LBPRGKRZSA-N 275.323 3.823 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)C1CCCCCCC1 1121114877 IEPSUMKIHQOYKN-UHFFFAOYSA-N 291.782 3.906 30 20 CHED Cc1ccc(CCC=NNCc2cccc(Cl)c2)cn1 774389972 ZFGBJOOHEXNJJD-UHFFFAOYSA-N 287.794 3.752 30 20 CHED C#CCCCCCC(=O)N[C@H]1CSc2ccccc21 779913174 FPLVGLFMMLMMDH-AWEZNQCLSA-N 273.401 3.533 30 20 CHED C#CCCCCCC(=O)Nc1cccc(-c2nccn2C)c1 779857641 NLBDSXTVUCVEDV-UHFFFAOYSA-N 295.386 3.609 30 20 CHED C=C(CC)COC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 773515934 PHZFRLMWNIMEQQ-GHMZBOCLSA-N 266.287 3.578 30 20 CHED C=CCN(C)C(=O)c1ccc(OCCCCCC)cc1 777842982 LIJOXAXUUGFACY-UHFFFAOYSA-N 275.392 3.904 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](F)c2ccccc2)c1 1129808683 DCRZDWQCOJJDSC-OAHLLOKOSA-N 268.291 3.516 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2ccccc2OC(C)C)n1 881812326 FXUBGQXJIPHJDK-LBPRGKRZSA-N 296.374 3.617 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1F 1126354638 WXZTZIIHKHMEOF-MLGOLLRUSA-N 288.366 3.738 30 20 CHED Cc1ccc2cc(C(=O)OC3(CC#N)CCC3)ccc2n1 788133636 LIRACPDMVARSGF-UHFFFAOYSA-N 280.327 3.536 30 20 CHED C[C@H]1CCC(=NNc2ncnc3ccsc23)[C@H](C)C1 783855311 HBEBKQAWXIILAG-VHSXEESVSA-N 274.393 3.915 30 20 CHED C=CC(C)(C)CC(=O)N1CCOc2ccccc2[C@H]1C 880779706 OZSQIXYPHNQZTL-CYBMUJFWSA-N 273.376 3.571 30 20 CHED C#Cc1ccc(CNc2ccc(-n3ccnc3)c(F)c2)cc1 787774591 UOIRNZQAHQBZNF-UHFFFAOYSA-N 291.329 3.605 30 20 CHED C=C[C@](C)(CC)C(=O)OCCCCCn1cc(C)cn1 785758360 VIMKGWUKYOFKET-MRXNPFEDSA-N 278.396 3.507 30 20 CHED CC(=NN[C@@H]1CCCOC1)c1cc2cc(Cl)ccc2o1 780260164 BXYPFUXPZZCKKB-CYBMUJFWSA-N 292.766 3.579 30 20 CHED C=CCCCCCOC(=O)CCc1c(C)noc1C 782490497 KQWUHRZMQMVMSC-UHFFFAOYSA-N 265.353 3.514 30 20 CHED Fc1ccc2oc(C=NNC3CCCCC3)cc2c1 786041904 FYTIZCIUCWPVIJ-UHFFFAOYSA-N 260.312 3.828 30 20 CHED C#CC[C@H](NC(=O)C1C[C@H](C)C[C@@H](C)C1)c1ccccc1 780012221 BDBFAULGHUPVOA-RKVPGOIHSA-N 283.415 3.940 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1ccc2cc[nH]c2c1 890326699 OOAWTCSROGVZMO-UHFFFAOYSA-N 256.349 3.733 30 20 CHED Cc1cccc(OC(=O)c2ccc(CC#N)cc2)c1Cl 785431743 KPOHJXXEMLKTGE-UHFFFAOYSA-N 285.730 3.934 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1CC(F)(F)C(F)F 780384313 HEHRXZLDLXVFIL-RNFRBKRXSA-N 281.215 3.550 30 20 CHED CN(CCC#N)c1ccc(C=NN[C@@H]2CCCC2(C)C)cc1 782289360 WUBUABJTKKZRKD-QGZVFWFLSA-N 298.434 3.539 30 20 CHED CCCCCCC[C@H](C)CNC1CCC(O)CC1 796703163 SRMYFDXSMYHKBL-FHERZECASA-N 255.446 3.876 30 20 CHED C[C@H]1CC[C@H](C)N(c2nc(C(C)(C)C)ccc2C#N)C1 1306980352 WXTKLLNEVBWKPB-STQMWFEESA-N 271.408 3.876 30 20 CHED C=CC(C)(C)c1nc(-c2cc3c(nc2O)[C@@H](C)CCC3)no1 896768353 ARSPWXXMEJCBDD-JTQLQIEISA-N 299.374 3.741 30 20 CHED O=C(/C=C/c1cscc1Br)c1ccncc1 794691408 PYDWWRCRFITIAU-OWOJBTEDSA-N 294.173 3.802 30 20 CHED C#CCCCCC(=O)OC[C@@H](OC(C)C)c1ccccc1 795504454 BFYSVJBXUBZQTN-QGZVFWFLSA-N 288.387 3.890 30 20 CHED COc1cccc2cc(C=NNc3ncccc3C)oc12 790186752 RQSAFTXTQNOJFJ-UHFFFAOYSA-N 281.315 3.591 30 20 CHED Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1C#N 799348077 XOUVZCPQNQGPGT-UHFFFAOYSA-N 290.366 3.924 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1C[C@H](c2cccc(F)c2)C1 797784624 BSOBYNFHBVWHFB-XCIKDZBTSA-N 299.345 3.905 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)CCCC3)n(C)n1 792905806 OOFNSEJMCYOQTJ-NTMALXAHSA-N 280.371 3.503 30 20 CHED Cc1cc(C=NNc2ncnc(Cl)c2C(C)C)c(C)o1 797404295 KXENQKIJUVKQMY-UHFFFAOYSA-N 292.770 3.909 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(C2CC2)cnc1Cl 796175733 YFMHYBQKHAKMLR-UHFFFAOYSA-N 292.766 3.709 30 20 CHED Cc1ccc(COC(=O)c2ccc(C)c(C#N)c2)s1 799347346 VCXBBUTWIWLWAL-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)C1(c2ccccc2)CC1 795551737 MPZZAMXUKKDBQL-UHFFFAOYSA-N 298.382 3.599 30 20 CHED CC(C)(C#N)CCSCc1cccc2c1OCCO2 790559995 CDLHICGJOTYHAB-UHFFFAOYSA-N 277.389 3.631 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](CC(F)(F)F)c1ccc(C)cc1 1153649669 CSNDXDBLELXCQU-DGCLKSJQSA-N 298.308 3.655 30 20 CHED CC[C@@H](C)[C@@H](C)N(Cc1ccc(C#N)c(OC)c1)C1CC1 1308616433 VPVXXKBVFHIQEO-ZIAGYGMSSA-N 286.419 3.966 30 20 CHED C[C@H](C#N)CN[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 248598234 IONXGGMULMBIBI-XOSAIJSUSA-N 256.393 3.708 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)cc1)C1CCCC1 1464912957 PTSNYGULBPBPLG-HNNXBMFYSA-N 271.364 3.649 30 20 CHED C#CCN(Cc1nc(C)sc1C)[C@H]1CCc2ccccc21 1320076668 PHLWRIFDMOIDMZ-SFHVURJKSA-N 296.439 3.883 30 20 CHED CCCCCCC[C@@H](C)NCc1c(O)nnc(C)c1C 1320585078 PLMYFJLKMMDMTG-GFCCVEGCSA-N 279.428 3.638 30 20 CHED CC[C@@H](NCc1cccc(OCC#N)c1)c1ccsc1 1326622875 LFGHZMGUKWDGTD-MRXNPFEDSA-N 286.400 3.891 30 20 CHED CCCCCCCCCN1CCC[C@](C)(C(=O)O)C1 109146490 OHZQJFONTHLWJL-INIZCTEOSA-N 269.429 3.924 30 20 CHED C[C@@H]1CCC[C@@H](c2nnc(COc3ccccc3C#N)o2)C1 1322139792 YQRBRAYTDWVYAI-CHWSQXEVSA-N 297.358 3.814 30 20 CHED C=CCCCCN1CCO[C@@H](c2ccc(F)cc2)C1 649244652 OHOWLPAHACKLQF-MRXNPFEDSA-N 263.356 3.555 30 20 CHED N#CC1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 67012513 VZPBWWPTRLGCSQ-UHFFFAOYSA-N 298.173 3.761 30 20 CHED N#CC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 70213031 MBDMIUDWNSVROK-UHFFFAOYSA-N 298.173 3.761 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC(C)(C(C)C)CC1 1339828992 HOXWNBNOAGYDDU-UHFFFAOYSA-N 298.381 3.664 30 20 CHED COc1cc(C)c(NC(=O)CC#Cc2ccccc2)cc1F 1338358051 DWRGFZBYPPKUJA-UHFFFAOYSA-N 297.329 3.523 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H]2C(C)(C)C)c1C#N 1187904684 QSIZWZJTQKCIHB-LBPRGKRZSA-N 263.772 3.540 30 20 CHED N#Cc1ccc(NCc2cccc(Cl)c2)cc1[N+](=O)[O-] 94591908 VEFLFJOXHGTMAA-UHFFFAOYSA-N 287.706 3.732 30 20 CHED N#CCC1CCN(c2c(F)cccc2C(F)(F)F)CC1 1334982354 MXLQLOIDEFRGHW-UHFFFAOYSA-N 286.272 3.975 30 20 CHED N#C[C@@H](NC(=O)c1ccc2sccc2c1)C1CCCC1 1332691462 ULGOGYABRKCWHK-CQSZACIVSA-N 284.384 3.713 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1ccc(C#N)cc1 1263295824 LGNIPVOKZCZKBF-HNNXBMFYSA-N 263.312 3.520 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 1346416991 WGTBPTSFXNJSKM-JTQLQIEISA-N 266.410 3.584 30 20 CHED C=C(C)CCC(=O)Nc1cccc(-c2nnc(CC)o2)c1 1262734113 MBQRMTDTIMSWJT-UHFFFAOYSA-N 285.347 3.594 30 20 CHED Cc1ccc(C(=O)NC(C)(C)C2CCCCC2)cc1C#N 1359842525 DQPPWZZQQNXCPD-UHFFFAOYSA-N 284.403 3.955 30 20 CHED C=C(CC(C)C)C(=O)N[C@@H](C)c1ccc(C)s1 1350942975 DPLGKQUFODMERR-LBPRGKRZSA-N 251.395 3.836 30 20 CHED CSc1cccc(NC(=O)c2csc(C#N)c2)c1 1350509030 IMRTURRFAGKLAF-UHFFFAOYSA-N 274.370 3.594 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 1293271319 WJURSQRWCUPRRT-ZDUSSCGKSA-N 295.342 3.671 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NC[C@H](C)CC(F)(F)F 1521567953 UDHPLBUXYDGMKA-NEPJUHHUSA-N 292.345 3.715 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C)c(F)cc1Cl 808865626 YPTRPVUBCURMBT-UHFFFAOYSA-N 267.731 3.776 30 20 CHED C=CC[C@H](Sc1nc2cc(Cl)ccc2o1)C(=O)O 1602848846 GWAFLFOODQYSRG-JTQLQIEISA-N 283.736 3.603 30 20 CHED Cc1ccc(NN=Cc2cc(C(=O)O)c(C)o2)cc1Cl 1600462853 LEIBLHNHRZDITH-UHFFFAOYSA-N 292.722 3.694 30 20 CHED O=C(O)c1coc(C(=O)/C=C\c2cc(Cl)cs2)c1 1602549837 CNDHEWJJBNASGE-UPHRSURJSA-N 282.704 3.589 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc2occc2c1 1535240760 RMHHMNODCZDNRU-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN1CCCc2cc(C#N)ccc21 1473508054 SQJAWMICHXDXKE-DNVCBOLYSA-N 298.430 3.906 30 20 CHED Cc1cc(N[C@@H]2CCCc3c(F)cccc32)ncc1C#N 1559201938 OEXUNINHBNIXBP-MRXNPFEDSA-N 281.334 3.890 30 20 CHED N#C[C@H]1CCCN(Cc2cc(Cl)sc2Cl)C1 932154946 SLFWBOKMFWCECX-MRVPVSSYSA-N 275.204 3.790 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1c1nc(C#N)c(Cl)s1 1651844317 FFOFYLLZBSQMME-ONGXEEELSA-N 283.828 3.785 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2ccc(C(=O)O)o2)CCCC1 1588764992 OTJXRTJNDLPORB-LLVKDONJSA-N 292.331 3.719 30 20 CHED C=CCC[C@@H](C)Nc1cc(C(=O)O)cc2cccnc12 1588777478 AHNLDLZNHCYKPY-LLVKDONJSA-N 270.332 3.700 30 20 CHED N#Cc1ccc(Sc2ccc3c(c2)CCCC3)nc1 1655582419 MVDVEQGRTQVUHD-UHFFFAOYSA-N 266.369 3.983 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)CC1(CC#N)CC1 1653473228 ZIBGUEPRVLVQOU-INIZCTEOSA-N 256.393 3.633 30 20 CHED Cc1cc(=N[C@H]2CCC[C@@H](c3ccccc3)C2)c(C#N)c[nH]1 1655453038 YMULGMIVHMYAOS-AEFFLSMTSA-N 291.398 3.822 30 20 CHED CCOc1ccc(C=NNc2ccccc2C(=O)O)c(C)c1 1776031264 WBFYMZMSTRDAQK-UHFFFAOYSA-N 298.342 3.538 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(=O)O)cc2)cs1 1777418521 RWYSUSUFRHZDIK-DAXSKMNVSA-N 272.325 3.651 30 20 CHED O=C(O)c1c(F)cccc1C=NNc1ccccc1Cl 1776014881 KRVSLYCMQCQNPF-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CCCCCCCCCC(=O)N1C[C@H](C)O[C@H](C)C1 150147414 OYLQMTLCJMUNQR-GASCZTMLSA-N 269.429 3.763 30 20 CHED CC(C)c1cnc(CNc2ccc(C#N)cc2)s1 162047178 IBVRABMXGZINHM-UHFFFAOYSA-N 257.362 3.750 30 20 CHED C=CCC[C@H](N[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 160022072 UWRLDMNKSHZJRK-NXHRZFHOSA-N 272.436 3.766 30 20 CHED COc1ccc(O)c(/C=N/CCOc2ccc(C)cc2C)c1 5402883 PXZJAEOYWPFVLT-XDHOZWIPSA-N 299.370 3.516 30 20 CHED CC(C)c1cccc(OC[C@@H](O)c2ccc(C#N)cc2)c1 153517879 SCXQWVIEPNCVGP-GOSISDBHSA-N 281.355 3.794 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@@H](C2CCCCC2)C1 856305281 NUCXACXGJLMONU-MRXNPFEDSA-N 275.436 3.855 30 20 CHED C=C(CC)CN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C 834904031 USZNWFBQXARPGK-CABCVRRESA-N 296.455 3.578 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 122243319 NAHPXHNEZJOTHN-QMMMGPOBSA-N 282.265 3.562 30 20 CHED Cc1ccccc1CN(C)c1nccc(C#N)c1Cl 234296265 IDKGLNIXQCRGGZ-UHFFFAOYSA-N 271.751 3.552 30 20 CHED COc1ccc([S@@](=O)CCCCC(C)(C)C#N)cc1 234895335 SCTCJHZHEMLRLO-IBGZPJMESA-N 279.405 3.523 30 20 CHED C[C@@H](NC[C@H]1Cc2ccccc21)c1cccc(C#N)c1 37566210 ULWSVTSBLOIWAU-CXAGYDPISA-N 262.356 3.549 30 20 CHED C=C(Cl)CNCc1csc(-c2cccs2)n1 164370548 CFCOAGXQNCQSSE-UHFFFAOYSA-N 270.810 3.714 30 20 CHED C[C@@H](CCNCc1ccc(C#N)cc1)c1ccccc1 43534038 ZVSQTNIWWVPQEL-HNNXBMFYSA-N 264.372 3.842 30 20 CHED CC(C)c1ccc(CNc2ccnc(C#N)c2)cc1 61812127 FZKCJCXLPYAJDA-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C=C(Br)CNc1ccnc2c(F)cccc12 302690209 RLXMUKUCPMRNQY-UHFFFAOYSA-N 281.128 3.694 30 20 CHED CCSCCCNc1nc2ccccc2cc1C#N 311342877 ASNQVDMQQOFYKI-UHFFFAOYSA-N 271.389 3.662 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(OC)cc1OC 312648981 UOKVXEUBNCDUNX-ZDUSSCGKSA-N 277.408 3.957 30 20 CHED N#Cc1ccc2nc(-c3cnc(C(F)(F)F)s3)[nH]c2c1 435693340 IZVUFLOFBNXWOV-UHFFFAOYSA-N 294.261 3.577 30 20 CHED C=CCC(C)(C)CN[C@@H]1C[C@@H](OCC)C12CCC2 336796210 QLODEILKZBVHKE-ZIAGYGMSSA-N 251.414 3.526 30 20 CHED C=CCCC(C)(C)NCc1csc(C2CC2)n1 657804698 BKOAOVBQMZDRKK-UHFFFAOYSA-N 250.411 3.855 30 20 CHED C=CCN(Cc1ccccc1)Cc1ncc(CC)s1 346187487 WUHNIAUFIFCNNV-UHFFFAOYSA-N 272.417 3.894 30 20 CHED Cc1cc(C)cc(COC(=O)c2ccc(C#N)cc2)c1 3474691 YDDWQKMINANZHK-UHFFFAOYSA-N 265.312 3.532 30 20 CHED Cc1cc(C)cc(COC(=O)CCc2ccc(C#N)cc2)c1 12957498 AEKHAZHMNFKZSO-UHFFFAOYSA-N 293.366 3.851 30 20 CHED N#Cc1ccc(OCCCSc2nccs2)cc1 40676814 VJTNUKHQNYWIFV-UHFFFAOYSA-N 276.386 3.576 30 20 CHED C=C(Cl)CSc1nnc(-c2ccc(C)cc2)n1C 43462491 NGOVLOLCOKTVAT-UHFFFAOYSA-N 279.796 3.635 30 20 CHED Cc1ccc([C@H](C)NC(=O)C2(C#N)CCCCC2)s1 44386061 UYVADTCKQQRRGV-LBPRGKRZSA-N 276.405 3.708 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1 49495751 YIKZJUXDPAAHLK-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Cc1ccccc1C(=O)Nc1cccc(OCCCC#N)c1 55568436 RFCDAHZJIACXDX-UHFFFAOYSA-N 294.354 3.930 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](C)c2cccnc2)c1 56560802 PDDFQGSXFHEKKB-CYBMUJFWSA-N 297.358 3.529 30 20 CHED C=C(Br)CSc1nnc(-c2ccccc2)o1 59927830 DJGWJRXIZBRBAJ-UHFFFAOYSA-N 297.177 3.737 30 20 CHED N#Cc1ccsc1NC(=O)c1cccc(-n2cccc2)c1 61202753 GHHUUJUYCGVJCI-UHFFFAOYSA-N 293.351 3.663 30 20 CHED C=CCCC(=O)NC(C)(C)c1ccc(Cl)cc1 66527327 HGYYTACQVKVEOQ-UHFFFAOYSA-N 251.757 3.658 30 20 CHED Cc1ccc(C(=O)COc2ccc(C#N)c(F)c2)c(C)c1 66748814 UUSFHPYPOYRUKK-UHFFFAOYSA-N 283.302 3.576 30 20 CHED Cc1cccc(SCC(=O)N(CC#N)c2ccccc2)c1 67008927 ZJGKDZOBQINARJ-UHFFFAOYSA-N 296.395 3.644 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](c1ccccc1)C(C)(C)C 69353223 OOCYIDZDYCCQFY-GOEBONIOSA-N 289.419 3.871 30 20 CHED N#Cc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 70262888 ASSICUQXHUOYQC-UHFFFAOYSA-N 253.692 3.755 30 20 CHED C=CCCOC(=O)c1cccc(Oc2nccs2)c1 77866822 KBQNEPUUGSEOML-UHFFFAOYSA-N 275.329 3.668 30 20 CHED CN(CCC#N)Cc1csc(-c2ccc(Cl)cc2)n1 78645477 XVVCGCSPYWKOLH-UHFFFAOYSA-N 291.807 3.809 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)C12CCC2 87709354 HMPMKXDZUZDOPR-CABCVRRESA-N 290.794 3.971 30 20 CHED N#Cc1cc(F)c(N[C@@H]2CCc3c(O)cccc32)c(F)c1 91484971 NATUIMPBOBRFFV-CQSZACIVSA-N 286.281 3.641 30 20 CHED CCc1ccc(C2=CCN(c3ccc(C#N)cn3)CC2)cc1 92948698 ZIDHSHFDKKOOOF-UHFFFAOYSA-N 289.382 3.809 30 20 CHED N#Cc1ccncc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 94150201 HDCKXDJHWKYWTC-FUHWJXTLSA-N 293.370 3.533 30 20 CHED CC[C@H](/N=C/c1ccccc1O)c1nc(C)cs1 105356599 NGXHPZFAQADIDZ-AAWHYMEISA-N 260.362 3.727 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1F 105487515 AMQAKLFKWKKGGL-AWEZNQCLSA-N 298.361 3.887 30 20 CHED CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(C#N)cc1 106406908 RXMRXWLMJLOWJV-LLVKDONJSA-N 298.308 3.607 30 20 CHED Cc1noc(C)c1CC/N=C/c1c(O)ccc2ccccc12 107066529 PYYFDBMQVHNHHL-YBFXNURJSA-N 294.354 3.812 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)nc1 107424867 CBYYFYFTDAOOLF-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCc1cc(C=O)cc(OC)c1OC(=O)OC(C)(C)C 108649142 CXAYJCQJWYLIMQ-UHFFFAOYSA-N 292.331 3.550 30 20 CHED N#C[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1F 108801822 UMYSJXBXORKQAS-QGZVFWFLSA-N 296.345 3.529 30 20 CHED C=C(Cl)CSCc1cc2ccccc2[nH]c1=O 111381614 NULZPXZAJCUWCT-UHFFFAOYSA-N 265.765 3.514 30 20 CHED CCCCCCCCc1nc([C@@H](N)C(C)C)no1 115065789 XKZKHGJZMFVMRJ-ZDUSSCGKSA-N 253.390 3.628 30 20 CHED C=CC[C@@H](C)NCc1ccc(Br)cc1 116927057 CWSSIGSBDCMULQ-SNVBAGLBSA-N 254.171 3.503 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc(C#N)c1)c1ccccc1 122170958 BQTZWLNGTMGKDQ-HNNXBMFYSA-N 276.339 3.857 30 20 CHED COc1ccc(NCc2ccc(F)c(C#N)c2)cc1Cl 123651641 FONCCWFPLJHNHZ-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccccc1C(F)(F)F 124916402 IGJGNAHWMHKMCQ-QGZVFWFLSA-N 282.714 3.707 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1csc(CC)n1 132687186 MXOGAXDOBVOCJX-LLVKDONJSA-N 278.421 3.651 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(Br)cc1O 134932678 GACGHWLVIPTGDP-MRVPVSSYSA-N 290.588 3.558 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2nc(C)oc2c1 135587302 IXMAPWTWBOMSCJ-HNNXBMFYSA-N 258.321 3.677 30 20 CHED COc1ccc([C@H](C)OC(=O)c2cccc(CC#N)c2)cc1 140811895 OYFPMVAKNPHOSO-ZDUSSCGKSA-N 295.338 3.679 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)C[C@@H](C)CC)CC1 153016924 JZQZCNNWUKJBBG-HOTGVXAUSA-N 266.473 3.831 30 20 CHED N#CCC(=O)Nc1cccc(Cl)c1SCC(F)F 153858167 YCIHHDFONATKGY-UHFFFAOYSA-N 290.722 3.549 30 20 CHED N#Cc1ccc(CNc2cc(F)cc(F)c2)s1 157487077 ZEKKHFXXKAMKNA-UHFFFAOYSA-N 250.273 3.510 30 20 CHED CC(C)(C)CCC(=O)N[C@](C)(C#N)CCc1ccccc1 159630745 KFFQPBCEFFQGFE-SFHVURJKSA-N 286.419 3.844 30 20 CHED COc1cc(N[C@H](C)c2cccc(C#N)c2)ccc1F 160141467 QKJZCMGIEMLLCG-LLVKDONJSA-N 270.307 3.879 30 20 CHED C[C@](O)(CNc1ccc(C#N)cc1)c1ccccc1Cl 160189778 VNZYIRLERDBLDC-INIZCTEOSA-N 286.762 3.531 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H](C)c1ccc(F)cc1 160831833 NCMFSNWKUQAWGF-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED C=C(C)CNC(=O)CCCCCc1cccs1 161123062 ZBHSYJNAEXFFPE-UHFFFAOYSA-N 251.395 3.543 30 20 CHED Fc1ccc(CNCCC(F)(F)F)cc1C(F)(F)F 162589019 KZTBZHWZWYWDIX-UHFFFAOYSA-N 289.194 3.887 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 173301127 GHOAENWIABVQQX-ICSRJNTNSA-N 295.426 3.705 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)cs1)c1ccccc1 175852887 YPFPVEJPLYQOEU-CYBMUJFWSA-N 271.341 3.928 30 20 CHED C[C@H](CNCc1cc(C#N)cs1)Sc1ccccc1 177707426 FXYJIMQNDCHUGF-GFCCVEGCSA-N 288.441 3.890 30 20 CHED C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1 178643910 OILLJROBUZVACD-YVEFUNNKSA-N 296.345 3.872 30 20 CHED CC(C)(C#N)COC(=O)c1csc(-c2ccccc2)n1 180162552 YICZYOSXUNTJAZ-UHFFFAOYSA-N 286.356 3.517 30 20 CHED C=C(C)CN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 180376712 BBGGFYXBLUXFDP-UHFFFAOYSA-N 281.783 3.532 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)cc1 181310964 IIXZXRDIBXTAFG-QGZVFWFLSA-N 293.370 3.562 30 20 CHED COC[C@H](NCCCC(C)(C)C#N)c1ccc(F)c(F)c1 181416815 FWZBOCUYZDZDSB-HNNXBMFYSA-N 296.361 3.572 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccccc1)c1nccs1 185689618 HIXDHJGGLCLJCX-MRXNPFEDSA-N 298.411 3.542 30 20 CHED COc1ccc(F)cc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 185784003 FIWLADCLMTYART-OBJOEFQTSA-N 276.355 3.567 30 20 CHED CC#CCCCC(=O)Nc1cc(F)ccc1Br 185836263 AVMOSJKNMDHDIT-UHFFFAOYSA-N 298.155 3.720 30 20 CHED Cc1cc(C)c2c(c1)CN(CCCC(C)(C)C#N)CC2 186735155 MMDBPIWORABJMT-UHFFFAOYSA-N 270.420 3.992 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)cc1OCC 188316361 ROQLNOYCXJEWLX-KRWDZBQOSA-N 291.391 3.561 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)c1cccs1 188409494 OTPXEWNEOZLSRY-HNNXBMFYSA-N 265.422 3.744 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@H](C)CC1 190925306 BHQLNTIRQJKTMM-KBPBESRZSA-N 252.402 3.563 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(O)cc1SC 191563614 SXELMCUMFCRUJJ-CQSZACIVSA-N 265.378 3.655 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(SC(C)C)cc1 193485529 FNMYUAIIXBSUJU-ZDUSSCGKSA-N 290.432 3.809 30 20 CHED C=CCCCCCN1CCSC[C@@H]1c1nccs1 193561786 CJCPYLJRYPKTHY-CYBMUJFWSA-N 282.478 3.979 30 20 CHED COCCOc1cccc(/C=C/C(=O)c2ccsc2)c1 194614455 WDRPQYQMJWKGNZ-AATRIKPKSA-N 288.368 3.669 30 20 CHED C=CCNC(=O)c1ccc(NCc2ccc(F)c(C)c2)cc1 195084342 CHPLODLURRBWHC-UHFFFAOYSA-N 298.361 3.662 30 20 CHED CCC[C@H](C)CC(=O)Nc1cc(C#N)ccc1OCC 195263608 LLLOFTIHNPLRSK-LBPRGKRZSA-N 274.364 3.722 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(C)c2)cc(OC)c1O 209181493 CFKXKLLDIMCXEK-FPLPWBNLSA-N 298.338 3.614 30 20 CHED CC(C)(NCc1ccc(C#N)cc1Cl)c1nccs1 221120902 YGOCEIPSWMCOEQ-UHFFFAOYSA-N 291.807 3.693 30 20 CHED C#CCCCCNc1ccc(C#N)c(C(F)(F)F)c1 229738267 YFMFENBXLJBORM-UHFFFAOYSA-N 266.266 3.792 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(N)ccc1Cl 232515910 LYNZKPLYQXFHGO-UHFFFAOYSA-N 294.782 3.799 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)c(F)c1 250887363 JRUKQVQFJSOXHL-GJZGRUSLSA-N 272.367 3.709 30 20 CHED CCCCCCCCN[C@H]1CCN2CCC[C@H]2C1 252674965 WFWPFSSBBQCGNE-HOTGVXAUSA-N 252.446 3.563 30 20 CHED COc1cccc(/C=N\C[C@@H](c2cccnc2)C(C)C)c1O 255495730 PPEGFIMVBBCPJZ-IWEBCOIVSA-N 298.386 3.655 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1ccc(Cl)nc1 255529858 UGWKCWUMJQGCDW-ALCCZGGFSA-N 268.703 3.503 30 20 CHED Cc1cc(C)cc(N/C(N)=N\Cc2ccc(C)s2)c1 261965164 AVNXBXJZJKSDDK-UHFFFAOYSA-N 273.405 3.600 30 20 CHED CC(C)(C#N)c1ccccc1COc1ccccc1CO 268925205 AJVSLZAZUHUYTN-UHFFFAOYSA-N 281.355 3.559 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C/c2ccn(C)n2)cc1 271483364 JZALIDKRQYWXDU-RMKNXTFCSA-N 286.400 3.817 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 272586705 NIJXLTGWIQFHTH-YOEHRIQHSA-N 299.418 3.719 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC([C@H]2CCCO2)CC1 275801861 DDLIVOHGMUNFPS-MRXNPFEDSA-N 290.794 3.607 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 277001740 ZHLZKZGHVAPHFF-PXAZEXFGSA-N 291.366 3.506 30 20 CHED CC[C@H](NC[C@](C)(O)c1ccccc1)c1ccc(C#N)cc1 278383267 DHESUXPEHLCSOC-OALUTQOASA-N 294.398 3.507 30 20 CHED CC[C@@H](Nc1ccc(C)nc1)c1ccc(C#N)cc1 278610865 FOVIXIQXHSEEGQ-MRXNPFEDSA-N 251.333 3.825 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1cc(C#N)oc1C 280756960 YHXSJTCRJCFAGJ-UHFFFAOYSA-N 276.380 3.747 30 20 CHED C=C(Cl)CN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 282956121 CFRQPJMKYSSLIS-HUUCEWRRSA-N 293.794 3.510 30 20 CHED C=CCCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 286215340 CQQNIHRGKQXDED-HOCLYGCPSA-N 257.377 3.952 30 20 CHED C=CCCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 286215342 CQQNIHRGKQXDED-ZBFHGGJFSA-N 257.377 3.952 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(C#N)cs1 288539344 HHTNKBBXFPOKDP-DGCLKSJQSA-N 290.432 3.907 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(OCC)c(F)c2)no1 289034331 GMNDWFJYRYIXQK-UHFFFAOYSA-N 288.322 3.575 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cc(F)ccc2C)no1 289950862 BQVHFZGFUIFWDD-TZMCWYRMSA-N 288.322 3.633 30 20 CHED N#Cc1ccncc1NC[C@@H]1CCCCC(F)(F)C1 291864916 NEUBTTDCBLPMBY-LLVKDONJSA-N 265.307 3.581 30 20 CHED CC(C)n1ccnc1SCc1ccc(C#N)cc1F 295644405 CKVIBWYMSCMWJU-UHFFFAOYSA-N 275.352 3.767 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1cccc(C2CC2)c1 295692054 ZSHKLLJSEMWQBB-ZDUSSCGKSA-N 255.361 3.545 30 20 CHED N#Cc1ccc(N2CCO[C@H](c3ccccc3Cl)C2)cc1 301202426 QBIANMPGDRBOJR-KRWDZBQOSA-N 298.773 3.790 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)[C@H]1COc2ccccc21 301815546 DDYWKOCHZGNAHY-IAQYHMDHSA-N 282.318 3.674 30 20 CHED CC(C)OCCNc1c(C#N)cnc2ccc(Cl)cc12 302123021 HANZMLGGGBQIOX-UHFFFAOYSA-N 289.766 3.597 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1c1c(C#N)cccc1C#N 302910863 ZHWVVWWOZTXFQM-KBXCAEBGSA-N 287.366 3.812 30 20 CHED C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)c2ccccc21 313514372 MSZRJUXNMKKBOJ-FZKQIMNGSA-N 262.356 3.896 30 20 CHED COC(=O)c1ccc(F)c(N[C@H](C)c2cccc(C#N)c2)c1 315665190 PHWISYSVDBCSRZ-LLVKDONJSA-N 298.317 3.657 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cc1 320276783 MUDSXAUUEZVXBO-SMDDNHRTSA-N 287.325 3.683 30 20 CHED Cc1noc(C)c1N/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329170740 JTDNNSAXKBULMW-BFHYXJOUSA-N 291.395 3.976 30 20 CHED O/C(CCc1ccsc1)=N/C/C(O)=N\C1CCCCC1 329453181 NOGSFMOBUCXTOT-UHFFFAOYSA-N 294.420 3.926 30 20 CHED CC1(NC(O)=Nc2cccc3ccsc23)CCOCC1 329493183 UEPXFHHFEWGHLC-UHFFFAOYSA-N 290.388 3.606 30 20 CHED Cc1csc(N=C(O)[C@@H]2CCC(=O)C[C@H]2C)c1C#N 329496775 DXCOUTNQZYCKDB-LDYMZIIASA-N 276.361 3.522 30 20 CHED CCCc1nc(/C(O)=N/C2CCC(F)(F)CC2)co1 330419033 PBPVCOBRMCKWJV-UHFFFAOYSA-N 272.295 3.510 30 20 CHED Cc1ncc(/C(O)=N/C[C@@H]2CC[C@H](C)C2)c(C(C)C)n1 331065663 FMTPPVWGWWQCIW-WCQYABFASA-N 275.396 3.649 30 20 CHED COc1ccc(F)cc1[C@H](C)/N=C(/O)N[C@@H]1CC[C@H](C)C1 331235770 TUPRMBUXXDDMNN-GMXVVIOVSA-N 294.370 3.588 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)C1CC1 331880151 PRTFKWHMYKLKRJ-LRDDRELGSA-N 284.403 3.711 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 331970356 QXXZSEDDPJLBRE-PIGZYNQJSA-N 294.354 3.828 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cccc(CC#N)c1 332280707 RGEOYUOKQQXWHA-FRFSOERESA-N 297.402 3.938 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)c1nc2ccccc2s1 335122605 QINKUDASFDMATO-UHFFFAOYSA-N 274.389 3.861 30 20 CHED C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 335583533 HSHFOYZFWRGTAX-QWRGUYRKSA-N 291.782 3.668 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 335787279 CKANEDOVRCTPRB-CHWSQXEVSA-N 270.376 3.501 30 20 CHED C=CCN(CCC1(OC)CCC1)Cc1cccs1 338882603 CEEPFBZBQPITON-UHFFFAOYSA-N 265.422 3.695 30 20 CHED CCOCc1cccc(NC(=O)c2ccc(CC#N)cc2)c1 340137934 UMSLXAPYVLHVID-UHFFFAOYSA-N 294.354 3.541 30 20 CHED C=CCCN(C)C(=O)CCn1ccc2cc(Cl)ccc21 342527783 YZVURESQHWCQOY-UHFFFAOYSA-N 290.794 3.719 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cccc(OC(F)(F)F)c1 343568093 YLPODZGOAMHKGK-JTQLQIEISA-N 284.281 3.540 30 20 CHED COc1ccc(CNc2c(F)cc(C#N)cc2F)c(F)c1 343907769 ODLXVPNYSFVZOM-UHFFFAOYSA-N 292.260 3.596 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1C(C)(C)C1(C)C 344144122 VZPVYEKZKRLIDX-UHFFFAOYSA-N 286.375 3.578 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C)nc1 347869570 NATGZUNYHOOGOK-UHFFFAOYSA-N 280.371 3.609 30 20 CHED C=CCOCCCN(C)[C@@H](COC)c1ccc(Cl)cc1 348168570 NBJYHRODLNBQND-INIZCTEOSA-N 297.826 3.552 30 20 CHED Cc1cc(CNc2nccn2-c2ccccc2)ccc1C#N 351570785 PQVHKVFDUVTEJV-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C=CCCC1(C(=O)N2CC=C(c3ccc(O)cc3)CC2)CC1 353854033 VGDOTSKFVPYDKW-UHFFFAOYSA-N 297.398 3.754 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cccc2c1CCC2 354257934 XJCPJKHTKVANEQ-UHFFFAOYSA-N 295.382 3.639 30 20 CHED C=CCCC1(C(=O)Nc2ccc(-c3csnn3)cc2)CC1 354786107 HRIZSNNCXLMKCC-UHFFFAOYSA-N 299.399 3.890 30 20 CHED CN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCC(C)(C)C1 358731122 GXLFBSLOIJPRHH-ZDUSSCGKSA-N 279.428 3.536 30 20 CHED CCc1c(NCc2cc(C#N)n(C)c2)cnn1C(CC)CC 359807009 QKLSDCFUKKEVGP-UHFFFAOYSA-N 299.422 3.629 30 20 CHED C[C@H](C[C@H]1CCCO1)N[C@@H]1CCCCc2cc(C#N)ccc21 360841926 URHIDZSNUNNJDJ-LSBZLQRGSA-N 298.430 3.873 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 361859108 NMWSDQUHWKHGSX-PSASIEDQSA-N 282.265 3.562 30 20 CHED CCC(CC)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 370638097 ZRGLGEUBKPMXLY-UHFFFAOYSA-N 282.387 3.610 30 20 CHED C=CC(C)(C)CN[C@H](c1ccccc1)c1ccccn1 384855757 MUKGGWBQUORTIE-QGZVFWFLSA-N 266.388 3.973 30 20 CHED C[C@@H](NCc1ccc(F)cc1C(F)(F)F)C(F)(F)F 389331380 VCVFZXKFODLXQS-ZCFIWIBFSA-N 289.194 3.885 30 20 CHED C=CC[C@H](CC)NC(=O)COc1ccc2ccccc2c1 410144713 XVQJFVXBKLHEGR-INIZCTEOSA-N 283.371 3.690 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC 412843593 SHQTUPALGNQWTE-HOCLYGCPSA-N 259.393 3.726 30 20 CHED C=CCOCCSCc1nc2ccccc2s1 419368230 YTTFVSGFFYGIMI-UHFFFAOYSA-N 265.403 3.732 30 20 CHED N#CC1(c2nc(C3(c4ccccc4F)CC3)no2)CCCC1 420532681 UPQGKHHBAIERTM-UHFFFAOYSA-N 297.333 3.624 30 20 CHED N#C[C@H](NC(=O)[C@H]1CCC[C@@H](F)C1)c1ccccc1Cl 424665074 KYSYUJWLIPOUMC-WDMOLILDSA-N 294.757 3.549 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(OC)c(C)cc1C 424813685 RAZFKQNFNMAXGF-UHFFFAOYSA-N 261.365 3.853 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2occc2C(C)C)no1)OCC 426233432 SBYDPSZIEAGJSW-CYBMUJFWSA-N 290.363 3.977 30 20 CHED C=CCOc1ccc(CN2CC[C@H]3CCC[C@@H]32)cc1OC 428456407 HSJIRDNSECGNQJ-CVEARBPZSA-N 287.403 3.634 30 20 CHED Cc1ccoc1CN(C)CC#Cc1ccc(Cl)cc1 429393902 NLFMKMLVUOQQMT-UHFFFAOYSA-N 273.763 3.725 30 20 CHED C=CCOc1ccc(CN(C)C(C)(C)COC)cc1Cl 430140603 ULYQOFHONWTTCB-UHFFFAOYSA-N 297.826 3.762 30 20 CHED N#CCCN(Cc1ccc2c(c1)CCCC2)CC1CC1 430224356 HSIYFKRXUXRVMH-UHFFFAOYSA-N 268.404 3.691 30 20 CHED N#Cc1csc(C(=O)N2CCCCCc3ccccc32)c1 437698554 JCNLJNLVGNTPPH-UHFFFAOYSA-N 296.395 3.993 30 20 CHED N#C[C@H]1CC[C@H](NCCCc2cccc(Cl)c2)C1 442849793 CPKIBCLZIQWBEK-ZFWWWQNUSA-N 262.784 3.554 30 20 CHED CSc1ccccc1[C@H](C)NCC1(CC#N)CC1 442873098 ZXXSLLOASNBANE-LBPRGKRZSA-N 260.406 3.753 30 20 CHED CC(C)(C)c1ccccc1OCCN[C@@H]1CC[C@@H](C#N)C1 442873143 KQZSOCTYLUWBSV-HUUCEWRRSA-N 286.419 3.645 30 20 CHED Cc1ccc(F)c(-c2noc(-c3ccc(C#N)s3)n2)c1 445452961 UHVFLQOILCSUTH-UHFFFAOYSA-N 285.303 3.784 30 20 CHED N#CC1(c2nc(-c3ccc(Cl)s3)no2)CCCC1 445556789 IUJHTUBDYMBTLQ-UHFFFAOYSA-N 279.752 3.787 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 448830375 HZYNLICNYKFKIB-SGMGOOAPSA-N 286.375 3.578 30 20 CHED C[C@@H]1CC[C@H](C(=O)N[C@@H](C#N)c2ccccc2F)C[C@H]1C 448895977 PHRVUCFCSFONGO-FOCJUVANSA-N 288.366 3.579 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 448927115 XCRSIIUVOMPJLR-YUELXQCFSA-N 290.794 3.703 30 20 CHED C=CCCCC[C@@H](C)N[C@H](CO)c1cccc(F)c1 449145267 WQSDKIGTAXWSDS-CZUORRHYSA-N 265.372 3.584 30 20 CHED CCCN(CC#N)C(=O)c1ccc(OC(CC)CC)cc1 449796122 FTEXUKCXCJDOTA-UHFFFAOYSA-N 288.391 3.630 30 20 CHED N#CC1(CN(CCc2ccc(F)cc2)C2CC2)CCC1 450419079 NIHRGUCLOJXEMN-UHFFFAOYSA-N 272.367 3.526 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)OCc1ccc(F)cc1 450427074 RJLGFTQBRDYSLU-UONOGXRCSA-N 293.382 3.592 30 20 CHED Cc1cc(OC[C@@H]2CCCC2(F)F)ccc1C#N 450921757 KCNUCZLRKXPMCT-LBPRGKRZSA-N 251.276 3.681 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N1CCCC(C)(C)[C@@H]1C#N 451198188 BLZCDGFEMHGMST-KFWWJZLASA-N 276.424 3.744 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 452196095 RILQDYFFLGADLI-UONOGXRCSA-N 287.403 3.722 30 20 CHED C=C(C)CCNC(=O)c1ccc(OCCC)c(OCC)c1 452719720 CUAQVRKBNUTENQ-UHFFFAOYSA-N 291.391 3.570 30 20 CHED C=C(CC)CNC(=O)c1oc2ccc(F)cc2c1C 453014901 LSACMFRKXZMBJQ-UHFFFAOYSA-N 261.296 3.576 30 20 CHED C=CC(C)(C)CN[C@H]1CCCc2nc(CC)sc21 453304163 FCNDXWWFMQFDHO-NSHDSACASA-N 264.438 3.885 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)C1=CCC(C)(C)CC1 454582812 HWLXYLLTOMTHQC-UHFFFAOYSA-N 282.387 3.653 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C(=O)C2CCC2)cc1 455274616 QBCVXAHFGCFEHN-UHFFFAOYSA-N 286.375 3.757 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1cccc2[nH]ccc12 455392098 YBTZWNYXFSKFHX-UHFFFAOYSA-N 285.391 3.522 30 20 CHED CCCC1(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 455993589 VEFWSDJGQXXSPB-UHFFFAOYSA-N 298.430 3.823 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1cc(C)cc(C#N)c1 456974094 WYYFCNUVETVTFB-LBPRGKRZSA-N 276.405 3.727 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 458610631 CTNKSJAYNRYGFF-VBNZEHGJSA-N 276.424 3.561 30 20 CHED C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 461910379 ZFCVAHLSZQUXHO-ZQIUZPCESA-N 284.403 3.699 30 20 CHED C=CCN(C(=O)N[C@H]1CCc2sc(Cl)cc21)C1CC1 462049491 XSHLOZGVRZJDIT-NSHDSACASA-N 296.823 3.749 30 20 CHED C[C@@H](Sc1ccccc1)C(=O)N[C@](C)(C#N)C(C)(C)C 464157530 FFOXKWBZHKWHLL-MLGOLLRUSA-N 290.432 3.612 30 20 CHED CCC(CC)c1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)on1 464163026 QQQRIXIKYXQZIK-MRXNPFEDSA-N 291.395 3.636 30 20 CHED CCCC[C@H](CC)C(=O)N1CCCC(C)(C)[C@H]1C#N 464476856 YEVAIWHJFVPYCZ-UONOGXRCSA-N 264.413 3.744 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1[C@H](C)CCC 466395707 KNZQXVCUNAPAQA-QLFBSQMISA-N 266.429 3.951 30 20 CHED CC1(C)CCC[C@H](NCCc2cccc(C#N)c2)C1 466422279 KIBSMKPKSHJDBP-INIZCTEOSA-N 256.393 3.659 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)CCC1CC1 469425694 DXRSARRYFOFJDQ-CQSZACIVSA-N 266.429 3.953 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 471709469 PNRVIWVWPMRFTB-ZDUSSCGKSA-N 279.811 3.991 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1CC12CCCC2 474227208 CFFUBONHINTLNX-CQSZACIVSA-N 275.417 3.843 30 20 CHED C=CCCCSCC(=O)N(C(C)C)C1CCCC1 476168644 WQXUXTQBTHAGGG-UHFFFAOYSA-N 269.454 3.865 30 20 CHED CCC(CC)[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1 480915306 WSZSKTQMHZGOHG-KRWDZBQOSA-N 295.386 3.794 30 20 CHED CC(C)(C(=O)Nc1ccc(CC#N)cc1)c1ccc(F)cc1 481975431 RJKKOLSABRTPAP-UHFFFAOYSA-N 296.345 3.808 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1C=CCCC1 486431390 XPVNZCDKDIJGRK-ZDUSSCGKSA-N 273.401 3.803 30 20 CHED CC[C@H](N=c1ccc(C#N)c(C)[nH]1)c1ccc(F)cc1F 488105429 VLQFQLXPLCMFJG-HNNXBMFYSA-N 287.313 3.525 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)c1c(F)cccc1F 488832450 USZVIZHEAPIFDM-VXGBXAGGSA-N 279.330 3.635 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1c[nH]c2c(C)cccc12 488863571 IPEAGXRAHFDHGC-OAHLLOKOSA-N 282.387 3.586 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(C(F)F)ccc1Cl 491096158 PSLKYETXACSMBW-SECBINFHSA-N 286.709 3.811 30 20 CHED C=CCN(C)C(=O)CSc1ccc(C(C)C)cc1 491123249 JZGCIOKPDHPDCK-UHFFFAOYSA-N 263.406 3.547 30 20 CHED C#CCN(C)C(=O)/C(=C\c1ccc(F)cc1)c1cccs1 491701766 VDPJJYOUJSBYEJ-QINSGFPZSA-N 299.370 3.519 30 20 CHED CC(C)SCc1cc(C#N)ccc1Br 492150500 JBGLTOJQTWTAPK-UHFFFAOYSA-N 270.195 3.962 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2c(OC)cccc21 497464327 IXYLTVBFZUQKFS-UHFFFAOYSA-N 285.387 3.743 30 20 CHED C=CCCCN1CCC(F)(c2cccc(OC)c2)CC1 500172865 QYSQJSCOAMXXIM-UHFFFAOYSA-N 277.383 3.922 30 20 CHED CC[C@@H]1C[C@@]1(NC(=O)CC(C)(C)C#N)c1cccc(C)c1 501650959 QYTPVNPXXWYGHN-KDOFPFPSSA-N 284.403 3.676 30 20 CHED N#Cc1ccc(CN2CCSc3ccccc32)c(F)c1 505260471 PHDNIYHEKGGTQW-UHFFFAOYSA-N 284.359 3.810 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1 508603591 JNVUMMUDLXUPJF-UHFFFAOYSA-N 294.398 3.979 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc(C(=O)OC)cc2)n1 508661543 KADZXJKZESWYPH-YRNVUSSQSA-N 298.342 3.535 30 20 CHED C=CCCO[C@H](C)C(=O)N(C1CCC(CC)CC1)C1CC1 508696412 UFFVTEUOVJJXEH-QQFBHYJXSA-N 293.451 3.927 30 20 CHED C=CCOc1ccc(CN(C)CC(C)(C)C)cc1OC 510632202 UYVSAPVNMLJKEJ-UHFFFAOYSA-N 277.408 3.738 30 20 CHED CCCCN(C(=O)Cc1c(F)cccc1C#N)[C@@H](C)CC 511878784 LTCIIOCQQMIRHF-ZDUSSCGKSA-N 290.382 3.667 30 20 CHED C=C(CNC(=O)N1CCC(C(C)C)CC1)c1ccccc1 512660152 LJZDQLVEBDZWIS-UHFFFAOYSA-N 286.419 3.777 30 20 CHED N#Cc1ccc(NCCc2cccc(Cl)c2)cc1 514727221 XZVYITAUOHFJNM-UHFFFAOYSA-N 256.736 3.866 30 20 CHED COc1ccc(C[C@H](C)CNc2cc(C)nc(C#N)c2)cc1 517766588 CCFMPRNQTOAVFS-ZDUSSCGKSA-N 295.386 3.561 30 20 CHED CC1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CCCC1 520930221 YTIKUTWEQPARLX-UHFFFAOYSA-N 291.782 3.913 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N(CC#N)C1CCCC1 524583865 XWKLADFTWDTSAS-INIZCTEOSA-N 284.403 3.550 30 20 CHED C[C@@H](CC(=O)N(CC#N)C1CCCC1)C1CCCCC1 524584252 SZTZDWUVJPORKZ-AWEZNQCLSA-N 276.424 3.888 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1ccc(COC)c(C#N)c1 529817707 OMGWHSTYPQTXKK-KRWDZBQOSA-N 288.391 3.860 30 20 CHED N#Cc1cccc(N2CCC[C@H]2CCCc2ccccc2)n1 532609600 FTFSNCRRAIIWCC-GOSISDBHSA-N 291.398 3.945 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CC12CCCC2 533045454 KGJPWGDPZHLPOB-AEFFLSMTSA-N 296.414 3.598 30 20 CHED CC(C)(CNC(=O)c1ccc(CC#N)cc1)C1CCCC1 533984526 JAIWVYPSAZQRRK-UHFFFAOYSA-N 284.403 3.699 30 20 CHED C=CCC[C@H](NCc1cn(CCCC)nc1C)C1CC1 537014670 WKEZLYXUTLFVTH-KRWDZBQOSA-N 275.440 3.826 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)NCC1CCCCC1 537993328 SFVJBRYKIJEXCH-ZDUSSCGKSA-N 269.454 3.771 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 540069784 JIKLGUXAFBSTHI-HZPDHXFCSA-N 296.455 3.578 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](CC)CC1 540566873 SPJLHXATKQHZNZ-HUUCEWRRSA-N 266.429 3.953 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCO[C@H](CC(C)C)C1 540779229 MWDARBLJPAMIJE-HRCADAONSA-N 253.430 3.915 30 20 CHED C[C@@H](C#N)CNC(=O)N[C@H](CC1CCCCC1)C(C)(C)C 541020434 NHMACNRXRFCBMO-DZGCQCFKSA-N 293.455 3.830 30 20 CHED CC(C)(NCC#Cc1ccc(F)cc1)c1cccs1 542573466 JDKSXKMGNOCZLL-UHFFFAOYSA-N 273.376 3.764 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCC[C@@H](OC)C1 551035234 ORVONKGHMVSCHL-DLBZAZTESA-N 293.451 3.787 30 20 CHED N#Cc1ccc(CSc2ccc(C#N)cc2Cl)nc1 555685256 OWFRDGNRLHDFAH-UHFFFAOYSA-N 285.759 3.771 30 20 CHED CC(C)(C)c1csc(NC(=O)[C@H]2C[C@@H]2C2CC2)c1C#N 556803358 NVZLVXADGPUFPE-MNOVXSKESA-N 288.416 3.902 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(C1CCC1)C1CCC1 558974707 UJQKNIQXVADTJT-RDJZCZTQSA-N 263.425 3.526 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNC2CCC(C)(C#N)CC2)o1 562519318 JNOHIKIMWQXBDF-RZZRIIHNSA-N 272.392 3.965 30 20 CHED CCCN(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(C)C 563969733 DRJXSOGAHSSCJU-KRWDZBQOSA-N 299.418 3.766 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 564422467 BJKBHJHGXXLHJB-XFKAJCMBSA-N 296.414 3.604 30 20 CHED CC[C@@H](CC#N)NCc1c(C)ccc2ccccc12 568181895 CQSVVLNVESXEBC-HNNXBMFYSA-N 252.361 3.930 30 20 CHED C[C@@H]1CCC[C@H](NC2(c3cccc(C#N)c3)CC2)C1 572894920 PCZXBBNENSUDEI-CJNGLKHVSA-N 254.377 3.716 30 20 CHED C=CCCCCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 581410494 RUJFKKIXNOSROT-HOTGVXAUSA-N 281.346 3.741 30 20 CHED C=CCCCCCNc1ccc2nc3n(c(=O)c2c1)CCC3 583123487 VQWAZRRRGHGTLZ-UHFFFAOYSA-N 297.402 3.501 30 20 CHED Oc1ccc2ccccc2c1/C=N\CC[C@H]1CCCCO1 588409869 FORRVOUWMQKNMN-JPVKTXQWSA-N 283.371 3.924 30 20 CHED CC(C)CC[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 589336648 BGGSBLNHYRRJHJ-CXAGYDPISA-N 256.393 3.960 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 590633990 FGZLMWIPZWPPFL-CZUORRHYSA-N 288.366 3.755 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC23CCC3)c(F)c1 590645643 OMGZGCPBYNEDKQ-OAHLLOKOSA-N 258.340 3.510 30 20 CHED Cc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1F 590653773 SACJGBXVUGOVIS-KRWDZBQOSA-N 280.346 3.783 30 20 CHED CO[C@](C)(C1CC1)[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 591247027 SLEIKAXHISXKKC-ZNOIYHFQSA-N 298.430 3.729 30 20 CHED CCCN(C(=O)[C@H](C#N)CC)[C@H](CC)c1ccccc1 593425671 NJOMGGQBPDGRNV-GOEBONIOSA-N 272.392 3.926 30 20 CHED CC[C@H](C#N)C(=O)NC(C)(C)CC1CCCCCC1 593636599 AGQAUZBGAIAQIG-CQSZACIVSA-N 264.413 3.791 30 20 CHED C[C@H]1CC[C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C[C@@H]1C 594005404 JOHLGUXCKBPQCY-OIPACUDHSA-N 298.430 3.678 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](CC(C)C)c1ccccc1 594089053 MJVOJHBCPGUTIH-CVEARBPZSA-N 272.392 3.577 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CC[C@@H]2c2ccccc2)C1 595090407 ONUZZYZAOSAUNM-MWQQHZPXSA-N 254.377 3.605 30 20 CHED C=CCCSCCNC(=O)N(C)Cc1ccc(C)s1 595725883 QCLLFOJOWJHMPO-UHFFFAOYSA-N 298.477 3.507 30 20 CHED Cc1ccc(C(F)(F)F)c(NC(=O)N(C)[C@@H](C)CC#N)c1 597075054 IXESPIWPQNSCSG-JTQLQIEISA-N 299.296 3.780 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccsc2Cl)C1 597259138 XQERARQQICEPSA-TVQRCGJNSA-N 282.796 3.604 30 20 CHED CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 598603635 XPVLOBVEWZSVCF-GJZGRUSLSA-N 294.826 3.681 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCOc2cc(F)ccc2C1 599686502 FUGDICKSYGZFNS-CYBMUJFWSA-N 296.345 3.653 30 20 CHED CC[C@H](C#N)C(=O)NCC(C)(C)c1ccc2ccccc2c1 600688296 PGYZJOMJVKLPNE-CQSZACIVSA-N 294.398 3.783 30 20 CHED Cc1ccc(-n2cc(C)cn2)c(NC[C@@H](C)CCC#N)c1 602494384 XPAVQDDUZJHUMT-AWEZNQCLSA-N 282.391 3.841 30 20 CHED Cc1ccc(-c2nc(CCNC[C@H](C)CCC#N)co2)cc1 602527156 LRGIOBKGWNAZCZ-OAHLLOKOSA-N 297.402 3.722 30 20 CHED C=CC[C@@H](C)NC(=O)NCC(C)(C)c1ccccc1Cl 604898271 MSNSPBQLDHPCIQ-GFCCVEGCSA-N 294.826 3.881 30 20 CHED C=CCCCN1CCC(COc2ccccc2)CC1 605150997 RVJMNCVBCVERGC-UHFFFAOYSA-N 259.393 3.744 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@H](c1ccccc1)C(C)C 609129396 FUYAJJZBYAWNEV-HOTGVXAUSA-N 272.392 3.625 30 20 CHED N#Cc1ccc(/C=C\c2nc(-c3ccccc3)no2)cc1 609473829 XJDUGMBYHVPIAD-KHPPLWFESA-N 273.295 3.779 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 609735608 DQQLUGIPVCRJFB-SZVBFZGTSA-N 298.430 3.844 30 20 CHED CC(C)(C)CCCNC(=O)c1cc2ccccc2n1CC#N 610067977 HFRJCARLBZCWCX-UHFFFAOYSA-N 297.402 3.721 30 20 CHED C=CCCSCC(=O)N[C@@H](C)CCCC(C)C 610088873 JZMMDJOJXJJKPG-ZDUSSCGKSA-N 257.443 3.627 30 20 CHED Cc1cccc2c(=NC[C@]3(C)CCCS3)c(C#N)c[nH]c12 610716467 AGEVTJGWAVWHFU-KRWDZBQOSA-N 297.427 3.534 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCC1CCCC1 611391236 GLHMKRLPUVCOES-KRWDZBQOSA-N 254.377 3.715 30 20 CHED Cc1cccc(C2(C(=O)N3CCC[C@@](C)(C#N)C3)CCC2)c1 612369692 LLSAHAHRADIZNN-SFHVURJKSA-N 296.414 3.569 30 20 CHED C=CCOCCNC(=O)[C@H](CCC)c1ccc(Cl)cc1 613365128 UJZGETUKTXIRKE-OAHLLOKOSA-N 295.810 3.543 30 20 CHED C=CCN1CCC(Oc2ccc(C(C)C)cc2)CC1 613446977 PQVRBPXSKGOQCE-UHFFFAOYSA-N 259.393 3.839 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H]1c1ccccc1 614402279 QJKRVLYRPHTBPS-GOSISDBHSA-N 262.356 3.814 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC(C)(C)CC(F)(F)F 614932425 OGEWABYEYJYHHA-UHFFFAOYSA-N 299.296 3.719 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2c(C)oc(C)c2C)C1 617788431 ITORZNCNMKGLDQ-AWEZNQCLSA-N 261.365 3.633 30 20 CHED C=CCn1nnnc1S[C@@H](C)c1c(C)cc(C)cc1C 620259402 MXNKWLNBATYNDT-ZDUSSCGKSA-N 288.420 3.638 30 20 CHED C=CCCO[C@@H](C)c1nc([C@H]2Cc3ccc(F)cc32)no1 632217280 WSHBMHBTNKBLMA-HZMBPMFUSA-N 288.322 3.550 30 20 CHED C=C(CC)CN[C@@H](c1ccc(OC)cc1)c1ccccn1 652206671 OGEFSNLPVNAYTB-SFHVURJKSA-N 282.387 3.735 30 20 CHED C=CCC1(NC(=O)c2cccc3c2CCCN3)CCCC1 662888874 OSQUXFLXXGMFCG-UHFFFAOYSA-N 284.403 3.663 30 20 CHED C=CCn1c(CCCC)nnc1N1CCC[C@H]2CCC[C@H]21 685541288 ZYSODEVGQKXZMA-HUUCEWRRSA-N 288.439 3.576 30 20 CHED N#CC[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 701288966 OHGNQLUTJXTNFU-QZPNVGJNSA-N 294.807 3.567 30 20 CHED C#C[C@H](NC(=O)c1cc(SC)ccc1Cl)C(C)(C)C 702228313 MURVHAWVPMVOAE-ZDUSSCGKSA-N 295.835 3.840 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 708383367 BIEZCSXNDYFQFC-HNNXBMFYSA-N 256.393 3.879 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)c(Cl)c1 720286017 ZLGPSRCVHCCICH-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(C)CN1CC=C(c2c[nH]c3ccccc23)CC1 728912482 SUDVOLXCUOCNSL-UHFFFAOYSA-N 252.361 3.833 30 20 CHED N#CCn1c(C(=O)Oc2ccccc2F)cc2ccccc21 729304056 GRZOEVOSBUCDIW-UHFFFAOYSA-N 294.285 3.523 30 20 CHED C#CCNC(=O)Nc1cc(Cl)ccc1SC(C)C 729575546 JOAIYEISGKGSCE-UHFFFAOYSA-N 282.796 3.595 30 20 CHED CC(=NNc1ccccc1F)c1ccc(O)cc1F 729932060 AWMWRFWCPKTKQR-UHFFFAOYSA-N 262.259 3.507 30 20 CHED c1ccc2c(c1)CCC(=NN=c1cc[nH]c3ccccc13)C2 730147902 WLOWKMHUMSJUNI-UHFFFAOYSA-N 287.366 3.614 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(OCC)cc1)c1ccncc1 734237008 JMAMTOUHPUWYGS-QGZVFWFLSA-N 296.370 3.528 30 20 CHED COc1ccc(C)cc1/C=C1/CCc2c(O)cccc2C1=O 742433870 AKOLCZWNIIDOCU-QBFSEMIESA-N 294.350 3.922 30 20 CHED CCCCCCCCCCCC(=O)N1CCOC[C@@H]1C#N 748342546 OOPQQLBLKCIKDL-INIZCTEOSA-N 294.439 3.658 30 20 CHED Cc1cc(F)ccc1C=NNc1ncccc1Cl 750934755 PNBNEQUTQCJJMY-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCCCC(COC)=NNc1ccc(F)cc1C 750946362 PKXGLPANTPIOLL-UHFFFAOYSA-N 252.333 3.739 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 753246216 IZCOYSQLGZDTKH-DOTOQJQBSA-N 284.403 3.562 30 20 CHED CCCCCCCCNC(=O)N1CCC2(CCOCC2)C1 754865330 NDSRPKJPXFBBJN-UHFFFAOYSA-N 296.455 3.559 30 20 CHED CCCCCCCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 754869311 VIUMINPTUVJCTE-DJIMGWMZSA-N 293.451 3.811 30 20 CHED O=[N+]([O-])c1ccccc1NN=C[C@@H]1C[C@H]1c1ccccc1 755466273 YGBGGPQIPMUAQK-KBPBESRZSA-N 281.315 3.796 30 20 CHED CC1(C)CC(=NO[C@H]2CCCCO2)c2ccccc21 755824729 YPDVHYCEZCVIHD-HNNXBMFYSA-N 259.349 3.615 30 20 CHED Cc1ccnc(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 755907157 VTJSXSSECFQZAU-WCQYABFASA-N 255.321 3.552 30 20 CHED N#CCC1(COC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 756565862 BJVRIXQOHNUWHQ-RRFJBIMHSA-N 275.392 3.830 30 20 CHED CCOc1ccc(NC(=S)NN=C(C)CC2CC2)cc1 756821791 YCYRQRNWKDXHIV-UHFFFAOYSA-N 291.420 3.548 30 20 CHED CC(Cc1cccc(F)c1)=NNc1ncccc1Cl 759201337 HHAONOGYHYYOOC-UHFFFAOYSA-N 277.730 3.905 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CC[C@@H]2CCCC[C@H]2C1 759205836 GGBINCKCKILVRV-RYUDHWBXSA-N 288.351 3.748 30 20 CHED Cn1cnc2cc(/C=C/C(=O)c3cccc(F)c3)ccc21 761196625 IVLMWUZHPALWCC-SOFGYWHQSA-N 280.302 3.609 30 20 CHED CCCCCCCc1nc(-c2cc(C)ccn2)no1 761595404 DSXSSMZRPHEXLH-UHFFFAOYSA-N 259.353 3.953 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(C#N)s1 762447394 BVXJLDUXJWVIPV-UHFFFAOYSA-N 295.289 3.873 30 20 CHED CCC[C@@H](C(=O)[C@@H](C#N)c1nc2c(C)ccnc2[nH]1)C(C)C 764655251 JGWVZXZIGRKUTO-CHWSQXEVSA-N 298.390 3.515 30 20 CHED FC(F)SCc1ccc(C=NOCC(F)(F)F)o1 764834823 GFBIVFRUTZXYOY-UHFFFAOYSA-N 289.225 3.648 30 20 CHED CCc1cnccc1C(C)=NNc1ccc(F)cc1F 765542133 GLITYYIPZBSNCI-UHFFFAOYSA-N 275.302 3.758 30 20 CHED C#CCCCN[C@H]1CCc2c1ccc(Cl)c2Cl 766234530 WPMKIXQTNHQDOT-ZDUSSCGKSA-N 268.187 3.984 30 20 CHED CCCCCCCOc1cccc(CN2CC[C@@H](O)C2)c1 768236231 CLSCJZHEQBBIPZ-QGZVFWFLSA-N 291.435 3.602 30 20 CHED O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1ccco1 769771593 QXINYUNSDPHVRJ-HJWRWDBZSA-N 276.295 3.633 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccc(F)nc2)CCCC1(C)C 770596583 LOXMUFSXQBMPGH-ZDUSSCGKSA-N 291.370 3.819 30 20 CHED CCC(=NO[C@@H]1CCCCO1)c1cc(C)ccc1OC 771557899 QYFOQSXNGZTCBV-MRXNPFEDSA-N 277.364 3.661 30 20 CHED N#CCCCn1cc(C(=O)O[C@H]2C=CCC2)c2ccccc21 774186151 LKJBDABHAYQTRV-AWEZNQCLSA-N 294.354 3.820 30 20 CHED CC(=NNc1cnccn1)C1(c2ccccc2)CCCC1 774361084 GKDQILSCZCOPCL-UHFFFAOYSA-N 280.375 3.776 30 20 CHED C=C(Br)CN[C@H](c1ccc(OC)cc1)C(C)C 774413779 ZRVPJUBCEHRZOL-AWEZNQCLSA-N 298.224 3.891 30 20 CHED CCCOc1cccc(CC(=O)OCCC(C)(C)C#N)c1 776395241 HSSWRYWHBJWPJM-UHFFFAOYSA-N 289.375 3.501 30 20 CHED FC(F)(F)CCON=Cc1ccc(Cl)s1 777455596 JVNWYQRAXBHXTK-UHFFFAOYSA-N 257.664 3.704 30 20 CHED COC[C@H](C)NN=C1CCC[C@@H]1c1ccc(Cl)cc1 777894774 PQSIKDFSQJWUMA-SMDDNHRTSA-N 280.799 3.588 30 20 CHED N#Cc1ccc2[nH]cc(C=NNc3cc(Cl)ccn3)c2c1 777905974 QUEXYJAVAFZMQL-UHFFFAOYSA-N 295.733 3.534 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 779431068 VYBRFJNTDJVORY-UHFFFAOYSA-N 297.358 3.880 30 20 CHED CC(C)c1ncc(CNc2cccc(OCC#N)c2)s1 779589157 XRNSVEHZVCXYAU-UHFFFAOYSA-N 287.388 3.781 30 20 CHED CCc1cccnc1C(C)=NNc1ccc(F)cc1 779754679 VBVHYXIXQZVISZ-UHFFFAOYSA-N 257.312 3.619 30 20 CHED COC(=O)c1ccc(NN=C(C)C[C@@H](C)CC(C)C)nc1 779782426 JAQFJCFAFYAOAM-LBPRGKRZSA-N 291.395 3.728 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1cccc(C)c1 779815590 CQDVELTUVGTJCU-UHFFFAOYSA-N 264.332 3.707 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@H]1/C=C/c1ccccc1 780013469 ORAHSSSORICKEB-FEAKQIBJSA-N 290.794 3.626 30 20 CHED CCCC=NOCc1ccc(F)cc1Br 780288857 YMWBFGOWXAXWKG-UHFFFAOYSA-N 274.133 3.891 30 20 CHED CC(C)(C#N)COC(=O)c1ccc2sccc2c1 781476525 KMZXXWGTYADHHV-UHFFFAOYSA-N 259.330 3.608 30 20 CHED C=C[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccccc2)cc1 781582991 ARERRYAAXHNTKC-CYBMUJFWSA-N 295.338 3.670 30 20 CHED C#CC[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1 781759060 CKJYIIYRNWMAQA-JKSUJKDBSA-N 269.388 3.694 30 20 CHED C#CCCN[C@H](c1ccc(Cl)cc1F)C(C)C 782101679 RXTZRMFUNGHXGL-AWEZNQCLSA-N 253.748 3.789 30 20 CHED C=CCOc1ccc(OC(=O)c2cccnc2C2CC2)cc1 784052616 JEFBHUZGVMABNI-UHFFFAOYSA-N 295.338 3.743 30 20 CHED CC[C@@H](OC(=O)CC(C)(C)C#N)c1ccc(OC)cc1 784537822 LBIONAHXBDLTKU-CQSZACIVSA-N 275.348 3.629 30 20 CHED COc1ccc2c(c1)C(=NNc1cc(C)ccn1)CCS2 786036007 JCUZYHXLNFEQLV-UHFFFAOYSA-N 299.399 3.711 30 20 CHED Clc1ccc(C2CC(=NOC[C@H]3CCOC3)C2)cc1 788034197 OOBDYSFDARUNIP-AMGKYWFPSA-N 279.767 3.627 30 20 CHED C#CCC1(C(=O)NCC2(CCC)CC2)CCCCC1 788232952 QAHBIYJTVSBKFX-UHFFFAOYSA-N 261.409 3.657 30 20 CHED C=CCCC(=O)COC(=O)c1ccccc1CSCC 789099836 NNZKQRJGZKEQBC-UHFFFAOYSA-N 292.400 3.632 30 20 CHED Cc1cccnc1NN=C1CC(C)(C)Oc2cc(F)ccc21 790187518 WZYDPSPVBISYHP-UHFFFAOYSA-N 299.349 3.906 30 20 CHED CCCCCCCCCN1CCN(CC(C)(C)O)C[C@@H]1C 792299925 XUDNHHUQXURWBX-KRWDZBQOSA-N 298.515 3.514 30 20 CHED CSCCON=C1CCCc2ccc(Cl)cc21 794573179 VEHBTLGEFAOYDH-UHFFFAOYSA-N 269.797 3.760 30 20 CHED CC[C@H](/N=C/c1ccccc1O)c1ccc(OC)c(OC)c1 794678209 ZMBTTZKPKNYFRT-UZUMKDMXSA-N 299.370 3.980 30 20 CHED Fc1cncc(CON=Cc2ccccc2C(F)(F)F)c1 794882974 BZUWGOKWLLFOGJ-UHFFFAOYSA-N 298.239 3.790 30 20 CHED O=C(/C=C\c1ccc(C(F)F)cc1)c1cscn1 794945711 JQZNIVSPMKQXQY-UTCJRWHESA-N 265.284 3.977 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCCc2cccs2)cc1 796039857 SJCNAVNUBLHPOD-UHFFFAOYSA-N 299.395 3.949 30 20 CHED CCCCCCCCOC(=O)C[C@@H]1CCC(=O)[C@H]1C 796224309 NAMYUSJSJZLPHM-KBPBESRZSA-N 268.397 3.895 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccn(C(CC)CC)n1 796461429 GMZBNZQBLAFEQJ-UHFFFAOYSA-N 278.396 3.890 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCc2cc(C)ccc21 797998436 GLVMLTZCFVRVHF-NJAFHUGGSA-N 271.404 3.553 30 20 CHED CC#CC(=O)N1CCC(Cc2ccc(C(C)C)cc2)CC1 801194463 LKOZJGCBKPXRAL-UHFFFAOYSA-N 283.415 3.614 30 20 CHED C[C@H](C#N)OCCOc1cc(C(F)(F)F)ccc1Cl 801656134 VUPPGUVEAZLSPF-MRVPVSSYSA-N 293.672 3.666 30 20 CHED C[C@@H](C#N)OCCSCCCCc1ccccc1 801659099 VXOHUJBBCPHUJU-AWEZNQCLSA-N 263.406 3.671 30 20 CHED Cc1cccc([C@@H]2CCCCCN2CCO[C@@H](C)C#N)c1 801921718 KQQQPSUGXIFWBM-WMZOPIPTSA-N 286.419 3.841 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C\c2ccccc2)cc1 803376568 HUNVRIKFYVWFJK-RAXLEYEMSA-N 293.366 3.581 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C\c2cccs2)cc1 803378216 NQXSBKFNYOHUKK-KTKRTIGZSA-N 299.395 3.643 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1Cc2ccccc21 805218945 QHUBOEZNYWYOQW-MRXNPFEDSA-N 257.377 3.579 30 20 CHED C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C(C)(C)C 807878338 LTSPKNQAIBRAKB-ZNMIVQPWSA-N 289.806 3.608 30 20 CHED C#C[C@H](NC(=O)[C@@H](Cc1ccccc1)C(C)C)C(C)(C)C 807880196 FBPOYTRDCLRXPS-IRXDYDNUSA-N 285.431 3.665 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccsc1 807991167 IMYQJRYAQBLHND-UHFFFAOYSA-N 272.377 3.642 30 20 CHED CCOc1cccc(/C=N/[C@@H]2c3ccccc3O[C@H]2C)c1O 809143108 MCUDQAMLYBUTAC-CUMICDFRSA-N 297.354 3.732 30 20 CHED C#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)cc1 809547948 YKBDCYIXJQLQDM-IBGZPJMESA-N 261.368 3.657 30 20 CHED C#C[C@H](C)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 809682948 JPLYFAWLZBTZQB-TUKIKUTGSA-N 281.321 3.953 30 20 CHED CC[C@@H](C)c1ccc(OC(=O)c2cccc(C#N)n2)cc1 810525282 ZUIDPPZHTAXCET-GFCCVEGCSA-N 280.327 3.686 30 20 CHED C#CC[C@H](NC(=O)CCc1ccc(C)s1)c1ccccc1 810750859 PTZWDKHEGRWIDT-KRWDZBQOSA-N 297.423 3.870 30 20 CHED Cc1cccc(C=NN[C@H](C)COc2ccccc2)c1C 811667670 AIAGLGRMKDHIGM-OAHLLOKOSA-N 282.387 3.694 30 20 CHED CCCOc1ccc(C=NOC/C=C\Cl)cc1 811669763 UGZPGPABSJXEOE-AUOZPKFISA-N 253.729 3.578 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccc(Cl)nc1 811692799 IDRPSFGJIAGFFO-XQRVVYSFSA-N 286.693 3.642 30 20 CHED N#Cc1cc(/C=C2/Oc3cccc(Cl)c3C2=O)ccc1F 811698432 JQXYKAKWWGLMLT-VGOFMYFVSA-N 299.688 3.967 30 20 CHED COc1ccc(F)cc1/C=C1/COc2c(C)cccc2C1=O 812241390 HKVUDZVHIZVXBU-JYRVWZFOSA-N 298.313 3.801 30 20 CHED N#CCCn1cc(C=NOCCC2CC2)c2ccccc21 814246621 ANOABHBGIZUKHN-UHFFFAOYSA-N 281.359 3.706 30 20 CHED C=CCCC(CCC)=NNc1cccc(C(=O)O)c1 814687250 DLSOUIAOSBQTBZ-UHFFFAOYSA-N 260.337 3.919 30 20 CHED CC(=NNc1ccc(F)cc1)c1cc(F)c(N)c(F)c1 814693533 WGMVYAYQMSLCIF-UHFFFAOYSA-N 279.265 3.522 30 20 CHED C=CCn1c(SCSCC)nnc1-c1cccs1 814753421 MWECPNNEVKGJLY-UHFFFAOYSA-N 297.474 3.995 30 20 CHED C[C@H]1CCC(=NN[C@@H](C)CCc2ccc3c(c2)OCO3)C1 814923979 DHHCFZFFKBIOTB-STQMWFEESA-N 288.391 3.502 30 20 CHED Fc1cc(F)cc(C2CC(=NOC/C=C\Cl)C2)c1 814933911 FCWJMIUKDDPWSI-SRXTWIKBSA-N 271.694 3.967 30 20 CHED C[C@H](NN=C1CC[C@H](C(=O)O)C(C)(C)[C@@H]1C)C(C)(C)C 814937905 RPHKJENXPDWPQJ-GRYCIOLGSA-N 282.428 3.524 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1ccc(Cl)c(N)c1 814938276 YQGCZMFDMPNDKD-JTQLQIEISA-N 267.804 3.670 30 20 CHED C=CCC(F)(F)C(=O)N(CCC)CCc1cccs1 816127111 HLVIIISGGNECOH-UHFFFAOYSA-N 287.375 3.741 30 20 CHED CCCOc1ccc(C=NN[C@H](C)c2ccncc2)cc1 819816054 WQRUQLQIWNCLGE-CQSZACIVSA-N 283.375 3.555 30 20 CHED CCN(C(=O)C#Cc1cccs1)[C@@H]1CCCC[C@H]1C 825636940 LPOHVWBSKAAJPP-UKRRQHHQSA-N 275.417 3.527 30 20 CHED CCCC[C@@H](NC(=O)c1cc(C#N)ccc1F)C1CCC1 829983141 YNYSAOSXTQXJER-MRXNPFEDSA-N 288.366 3.786 30 20 CHED C[C@@H](Nc1ccc(NC(=O)O)cc1)c1cccc(C#N)c1 833524355 FCGQXEJZAUAWAQ-LLVKDONJSA-N 281.315 3.821 30 20 CHED CC(=Nn1c(S)nnc1C(C)(C)C)c1csc(C)c1 834925996 UFLXARQUCWIKNG-UHFFFAOYSA-N 294.449 3.507 30 20 CHED CC[C@H](C)[C@@H](C=NNc1cc(F)c(F)cc1F)OC 834959014 DEAFYHJOOHZGIN-ISVAXAHUSA-N 274.286 3.563 30 20 CHED C=CCC1(C(=O)OCc2csc(CC)n2)CCCC1 835148571 WCPVKCKGMCXTFA-UHFFFAOYSA-N 279.405 3.885 30 20 CHED CSC[C@@H](C)COC(=O)c1ccc(C(C)(C)C#N)cc1 835675530 CKMUCSZXSINTOX-LBPRGKRZSA-N 291.416 3.644 30 20 CHED C#Cc1cccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1 837103751 LCZZSIDYUKSCOE-UHFFFAOYSA-N 293.410 3.501 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 837158039 ZFSYXVDHKSFJQS-SDDRHHMPSA-N 259.340 3.529 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(Cl)c2)C1 839044194 PQHWCYXHUPTIGB-MFKMUULPSA-N 263.724 3.579 30 20 CHED C=CCC[C@@H](NCc1ccc(C2CCCC2)cc1)C(=O)O 841805799 MBAHKWNRKVPMAU-QGZVFWFLSA-N 287.403 3.853 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 842332991 CQJKYDXHFGZPQP-BFHYXJOUSA-N 291.778 3.925 30 20 CHED C#C[C@H](OC(=O)[C@H](CCC)OC)c1ccc(Cl)cc1F 842351852 AWYMXJDNGDVPIA-KBPBESRZSA-N 298.741 3.512 30 20 CHED CC(C)c1csc(SC[C@H](C#N)CCC#N)n1 844275721 GICSYXCEWSMLGM-JTQLQIEISA-N 265.407 3.802 30 20 CHED N#C[C@@H]1CCC[C@H](NCCC[C@H]2CC2(Cl)Cl)C1 846109433 JDFFWZOOVIBQEG-WOPDTQHZSA-N 275.223 3.632 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)O[C@H]1CCCC[C@@H]1F 847711283 KTJBWYSLLURYFN-KCXAZCMYSA-N 289.350 3.561 30 20 CHED O=C(O)Cc1ccc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 848415495 MSPJLUSFMWNXEK-MIGQKNRLSA-N 298.386 3.538 30 20 CHED CC(C)(C)SCCNc1nc(C#N)c(Cl)s1 853260222 JQJDWACTBYQXKM-UHFFFAOYSA-N 275.830 3.612 30 20 CHED C#CCCOC(=O)N[C@H](CC(C)C)c1ccccc1 858883049 ZHIZELLIRSQXEP-OAHLLOKOSA-N 259.349 3.523 30 20 CHED C#CCCCCC(=O)Nc1ccc(OCCC)c(F)c1 863535318 KDLXYYILJSLGDH-UHFFFAOYSA-N 277.339 3.747 30 20 CHED C[C@H](O)c1cc(N[C@H](C)c2cccc(C#N)c2)ccc1F 864012700 YEJDYYYUJQVZHS-NEPJUHHUSA-N 284.334 3.924 30 20 CHED N#CC1CCC(CNC(=O)/C=C/CCc2ccccc2)CC1 868053824 YJVBVEHJCWSSCR-WEVVVXLNSA-N 296.414 3.622 30 20 CHED CSc1cc(C(=O)OCC2(C#N)CCCCC2)co1 870273958 YHXUHCSDBOZIJP-UHFFFAOYSA-N 279.361 3.632 30 20 CHED C=C1CCC(C(=O)NC[C@H](OCC)c2ccccc2)CC1 890268827 QIIQMQBYPGCNQV-KRWDZBQOSA-N 287.403 3.627 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1OCC 890386295 KLVHWQVGZVRFTJ-UHFFFAOYSA-N 292.335 3.534 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2ccc(C)s2)c1 891963146 BMRQVNHRYQAASH-LLVKDONJSA-N 257.362 3.805 30 20 CHED Cc1cc(C)c2cc(N[C@@H]3CC[C@H](C#N)C3)ccc2n1 895879637 SUYRSBAUVAPXIK-UONOGXRCSA-N 265.360 3.956 30 20 CHED COc1cc(CN2CCC[C@H](C#N)C2)cc2ccccc12 896502171 DGLAIDNMWGASAS-CQSZACIVSA-N 280.371 3.584 30 20 CHED C#Cc1cncc(-c2noc([C@H](C)SCCCC)n2)c1 896566261 BZSJGOXVLRPHQI-NSHDSACASA-N 287.388 3.707 30 20 CHED C=C1CC(c2noc(CCC(=O)c3cc(C)ccc3C)n2)C1 896891744 YWTRJHKKTIJJMX-UHFFFAOYSA-N 296.370 3.936 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)cc1 899333715 SLGAQHHHUSBXSK-JXMROGBWSA-N 266.344 3.813 30 20 CHED C=CCC[C@H](CC)N[C@@H](C(=O)O)c1ccc(C)c(C)c1 901843032 CRDFYTNHMKOOQR-JKSUJKDBSA-N 275.392 3.764 30 20 CHED CC[C@@H](NC[C@H]1COc2ccccc21)c1cccc(C#N)c1 902994057 JGIDAUNTUCQIEG-FUHWJXTLSA-N 292.382 3.775 30 20 CHED COCOc1ccc(C#N)cc1-c1nc(C2CC2)cs1 904885951 VKRFPCXZQCSLJH-UHFFFAOYSA-N 286.356 3.542 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1nsc2ccccc12 906023061 JDBQQJOUIWBROL-NSHDSACASA-N 274.389 3.861 30 20 CHED Clc1cncc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)n1 914556973 JUJCQAFSAYEUGU-WDEREUQCSA-N 278.787 3.888 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 916250101 KHTYZMCADOMVDU-UHFFFAOYSA-N 269.304 3.739 30 20 CHED Cc1nn(C)c(C)c1C=NNc1ccccc1C(F)(F)F 916259388 CGUIVVHMDPXKOK-UHFFFAOYSA-N 296.296 3.502 30 20 CHED C/C(=C\C(=O)OCc1ccccc1C#N)c1ccccc1 917977592 MBLQRZWFLYBBSL-SDNWHVSQSA-N 277.323 3.705 30 20 CHED C=C(Br)COC(=O)CCc1ccc(C)cc1C 919045732 JFAXMANJQVNBSO-UHFFFAOYSA-N 297.192 3.688 30 20 CHED CCCCCCCC(=O)OCC(=O)c1cc(C)n(C)c1C 919222195 NTCKIGFJWHWXJA-UHFFFAOYSA-N 293.407 3.728 30 20 CHED Oc1cccc(/C=N/Cc2cc3ccccc3s2)c1O 920479076 JQJLMGQHLNFCQF-RQZCQDPDSA-N 283.352 3.932 30 20 CHED CC(C)Oc1cccc(C=NNc2ccccc2[N+](=O)[O-])c1 921254222 UPNOFEINFDVMNV-UHFFFAOYSA-N 299.330 3.828 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)C[C@H](O)c1ccc(F)cc1 925294922 WACMWVWBIGPXDO-WWGRRREGSA-N 292.398 3.556 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc2ccccc2[nH]1 926341201 CSBSSXNYEHRXBK-YEWWUXTCSA-N 284.403 3.800 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1Cc2ccc(Cl)cc2C1 926359636 GVDAMSGNESAKMY-NHYWBVRUSA-N 276.811 3.725 30 20 CHED CN(C(=O)C1C[C@H]2CCC[C@H](C1)C2)c1cccc(C#N)c1 1116781694 PNBYUHOXVLBTJX-KBPBESRZSA-N 282.387 3.737 30 20 CHED N#Cc1ccc(F)c(CSCc2ccc(F)cn2)c1 1116851940 FPHPZHGIBZWNQS-UHFFFAOYSA-N 276.311 3.665 30 20 CHED Cc1ccc(F)cc1-c1nnc(-c2ccc(C#N)cc2)o1 1117214367 QMPNERLPEMFNOV-UHFFFAOYSA-N 279.274 3.723 30 20 CHED N#Cc1cc(C(=O)Oc2cnc3ccc(F)cc3c2)cs1 1128307433 JNZYYYZDBQOYMN-UHFFFAOYSA-N 298.298 3.526 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)ccc1F)C1CCCC1 1129637295 AOYZCZUHRCWENZ-INIZCTEOSA-N 288.366 3.786 30 20 CHED N#Cc1ccc(Br)c(OCC2CCCC2)c1 1189904142 YVFRLBGJXWNPOH-UHFFFAOYSA-N 280.165 3.890 30 20 CHED N#Cc1ccc(CN2CCc3ccc(Cl)cc32)c(F)c1 1205353065 BNBZLADCCBBUAS-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CC1(C)CCC[C@H]1OC(=O)CC#Cc1ccccc1 1256574677 CASLUMOCLWOXES-OAHLLOKOSA-N 256.345 3.550 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1csc(C#N)c1)C2 1264349032 DEZVUKQYFMGFCW-GHJWDPDVSA-N 288.416 3.564 30 20 CHED C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(CC#N)cc1 1265753768 KPCANZXFLYMELZ-ZDUSSCGKSA-N 298.411 3.517 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1cccc(C#N)c1 1265956880 DMZIMIYGIOYBNW-CQSZACIVSA-N 272.392 3.895 30 20 CHED N#Cc1nnc2ccccc2c1N1CC[C@@H]2CCCC[C@@H]2C1 1318660326 HIFWNHSNQNWYGM-UONOGXRCSA-N 292.386 3.518 30 20 CHED CC(C)(C#N)CCN1CCC(Nc2ccccc2)CC1 1319844880 RLXUAUNLEKOSIY-UHFFFAOYSA-N 271.408 3.503 30 20 CHED C=C[C@H](COC)N[C@H]1CCSc2ccc(Cl)cc21 1321241322 MVDPSGNCAUCKRS-YPMHNXCESA-N 283.824 3.668 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)c1ccc(F)cc1F 1322489181 YEFFXQDGVLEGHV-JTQLQIEISA-N 254.276 3.578 30 20 CHED C[C@H](CCNC(=O)c1csc(C#N)c1)c1ccccc1 1324459768 YJSZEDIDKQPZTM-GFCCVEGCSA-N 284.384 3.543 30 20 CHED CCCCC(=O)N(c1cccc(C#N)c1)C1CCC1 1333648247 RWQSUBJGTZAQOB-UHFFFAOYSA-N 256.349 3.634 30 20 CHED N#CCCCOc1cccc(CNCCCC(F)F)c1 1335164404 DQVAOHGXRQVFQZ-UHFFFAOYSA-N 282.334 3.504 30 20 CHED C=C(C)CCC(=O)N(C)[C@H]1CCCc2ccccc21 1335578171 VUFCHWQNLHMBLB-INIZCTEOSA-N 257.377 3.879 30 20 CHED COc1cccc(/C=N\Cc2ccc3c(c2)CCC3)c1O 1337446270 MJKYORPQZAZZEH-UNOMPAQXSA-N 281.355 3.509 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)c1ccc(Cl)s1 1340891982 LFFIWLMCUOHHGC-VHSXEESVSA-N 284.812 3.656 30 20 CHED C=CCc1cc(/C=C/c2cc(C#N)ccn2)cc(OC)c1O 1344741091 ULDVXOXRFHMOJD-AATRIKPKSA-N 292.338 3.566 30 20 CHED CC(=NOC(C)(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C 1347634148 GSZVSHODOMXCON-GFCCVEGCSA-N 284.400 3.577 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1C#N 1347682508 SKDUKWJDQCINPA-CQSZACIVSA-N 287.338 3.660 30 20 CHED N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)ccn2)cc1 1349961289 NERRJROUBYHWAZ-UHFFFAOYSA-N 299.333 3.873 30 20 CHED N#Cc1sccc1C(=O)Nc1ccc(Cl)cc1 1350519302 KISKIKOJAYIVIQ-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=C(C)CCC(=O)NC1CCN(CC2CCCCC2)CC1 1353549749 PSDVPINEDCWVGF-UHFFFAOYSA-N 292.467 3.504 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(C)nc(C)c1 1357827356 ZJHRUOMBSWHTDG-UHFFFAOYSA-N 294.398 3.569 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@]1(C)CCCC[C@H]1C 1436607720 PDVCOWPKISLPOK-PXAZEXFGSA-N 270.376 3.565 30 20 CHED C[C@@H]1CC(=NC(=O)C2(C3CCCCC3)CCCCC2)NO1 1447229691 CXXQCXLHRNPXER-CYBMUJFWSA-N 292.423 3.756 30 20 CHED Cc1nc(NCc2cc(C3CC3)ccc2F)ccc1C#N 1458408127 UEWWTPWALSYPEO-UHFFFAOYSA-N 281.334 3.890 30 20 CHED Cc1ccc(F)cc1CSc1cccnc1C#N 1473031379 UVEZAURKJAFTHJ-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)ccn1 1527466273 DJBROVKWOVGUII-HUUCEWRRSA-N 299.418 3.536 30 20 CHED C=C(CC)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 1527715137 DLTDFQDCFCYTOU-SFHVURJKSA-N 294.398 3.756 30 20 CHED C[C@]1(C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H]1c1ccccc1 1527894533 SMVIBZFXQNEMQE-QAPCUYQASA-N 294.329 3.830 30 20 CHED CC1(C)C[C@]1(NC(=O)c1ccc(C#N)cc1)c1ccccc1 1533977396 JSJMJPDAQGRXAP-IBGZPJMESA-N 290.366 3.613 30 20 CHED C=CC[C@H](Sc1ccc(Cl)c(F)c1)C(=O)O 1588757993 DMPMRDULYFLZDX-JTQLQIEISA-N 260.717 3.601 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(C(=O)O)c1C 1588777692 GAYVNJWXJOUISW-UHFFFAOYSA-N 290.363 3.560 30 20 CHED CC1CCN(CC[C@@H]2CCCN2CCC(C)(C)C#N)CC1 1620498413 MRAAFYYKVUHTCN-KRWDZBQOSA-N 291.483 3.513 30 20 CHED N#Cc1cccc(CN2CCCC3(CCCCCC3)C2)n1 1621114705 RPUMBZONXLIPAI-UHFFFAOYSA-N 283.419 3.890 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)[C@@H]1CCC[C@@H](C)C1 1646205343 VVZUKKQRBJOIHG-RVKKMQEKSA-N 270.420 3.905 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)sc1Cl 1650700894 AFWGSKTWVWYSIW-NZHYYXIDSA-N 293.823 3.905 30 20 CHED Cc1cc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)ccc1C#N 1656064220 URQKPOWNJCMENJ-IIYDPXPESA-N 256.393 3.781 30 20 CHED CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)c(C)c2)C1(C)C 1663584157 HQVRBMZSAHCGEY-IRXDYDNUSA-N 286.419 3.502 30 20 CHED C=C(CNC(=O)OCc1ccccc1C)c1ccccc1 1663708947 UPXSOKFWDXNASX-UHFFFAOYSA-N 281.355 3.935 30 20 CHED Cc1csc(NC(=O)N(C)Cc2ccsc2)c1C#N 1677351647 TZNQSMKPUJIBNX-UHFFFAOYSA-N 291.401 3.654 30 20 CHED C=CC1CCN([C@H](C(=O)O)c2cccc3ccccc23)CC1 1776150153 JKYHAXPCCAMPHQ-SFHVURJKSA-N 295.382 3.864 30 20 CHED C=CCCC[C@H](Nc1nc(C(=O)O)co1)c1ccccc1 1776172125 WTWVPKLTXXKIEW-ZDUSSCGKSA-N 286.331 3.882 30 20 CHED C=CCc1cccc(CN(C)[C@@H](C(=O)O)c2ccccc2)c1 1776190859 CQURLCCQQCRAGG-GOSISDBHSA-N 295.382 3.673 30 20 CHED CC(C)c1ccc(C(=O)/C=C/c2cncc(C(=O)O)c2)cc1 1776370231 MHTJSPKJYMWSGU-FPYGCLRLSA-N 295.338 3.799 30 20 CHED Cc1ccc(C(=O)OCc2ccccc2C#N)c(C)c1 7005287 ZQCPWFCNQWZNMP-UHFFFAOYSA-N 265.312 3.532 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccccc1Cl 52027767 LJPIPIXGMTVOST-UHFFFAOYSA-N 262.721 3.525 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2cc[nH]c2c1 178380523 NTCORHFWQQTGPR-UHFFFAOYSA-N 275.311 3.600 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(C#N)cs1 178109608 XMIJZGSNBCSATC-WCQYABFASA-N 276.405 3.661 30 20 CHED C=CCCCSCC(=O)N[C@H](C)c1ccccc1 117944838 JRNLALOIFXMUEO-CYBMUJFWSA-N 263.406 3.563 30 20 CHED C#CCCCCC(=O)Nc1ccc(OC(C)C)c(C)c1 119904676 XRRPUTBJFOPMLN-UHFFFAOYSA-N 273.376 3.914 30 20 CHED COc1ccccc1C(C)(C)NCC#Cc1ccc(F)cc1 119568346 MFVSVGOSQASINF-UHFFFAOYSA-N 297.373 3.711 30 20 CHED C=CCOCCCC(=O)Oc1c(C)ccc(C)c1C 175040407 VMDDJGLFQUUINE-UHFFFAOYSA-N 262.349 3.500 30 20 CHED C[C@]1(C(=O)Nc2ccccc2C#N)C[C@@H]1c1ccccc1 1354217098 LMIPYIHGHQJLNA-QAPCUYQASA-N 276.339 3.691 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2csc(C#N)c2)[C@@H]1C 1358217119 JQHAERLKZLPERN-GIPNMCIBSA-N 263.362 3.601 30 20 CHED N#Cc1cccc(CNC2(c3nccs3)CCCC2)c1 116373967 SPNWFHHOLVVOPR-UHFFFAOYSA-N 283.400 3.574 30 20 CHED O=C1C(=C/C=C/c2ccc(F)cc2)C(=O)c2ccccc21 178533111 LNXUODWVTQSXAI-ONEGZZNKSA-N 278.282 3.845 30 20 CHED CC[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 27339277 JVGDZFFGTUXTNJ-ZDUSSCGKSA-N 278.355 3.754 30 20 CHED C#CCCCNC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 176372388 PFKZTGNIAGVPHT-HNNXBMFYSA-N 290.382 3.626 30 20 CHED CC(C)(CCC#N)CNCc1cccc(OCC(F)F)c1 174356343 GXAGMDRUOLJCSY-UHFFFAOYSA-N 296.361 3.750 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@@H]1C1CC1 176545084 CQFRWTKBDKETOZ-CHWSQXEVSA-N 295.835 3.962 30 20 CHED CCN(CC)[C@H](C/N=C/c1ccccc1O)c1ccccc1 60804910 QGZODROGWSWCGP-SQVRNEIYSA-N 296.414 3.894 30 20 CHED COc1cccc2c(NCCCCC#N)cc(C)nc12 301682974 SNQWQMMJUBZFSZ-UHFFFAOYSA-N 269.348 3.658 30 20 CHED CN(c1ccccc1)C1CCN(CCC(C)(C)C#N)CC1 409446685 QRVBXOXHFVNDFU-UHFFFAOYSA-N 285.435 3.527 30 20 CHED N#CCCCOC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 171669944 WJEMXEBJUSRYQL-IRXDYDNUSA-N 279.339 3.790 30 20 CHED N#Cc1ccc(NCC2(Cc3ccccc3)CCCC2)nn1 302071976 UUVDNIGLDPFVHH-UHFFFAOYSA-N 292.386 3.563 30 20 CHED C=CCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 128159608 LIOIGVUPZVNGSM-AWEZNQCLSA-N 294.350 3.750 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cccc(CO)c1 305670026 WIRBQLRJGMOCDM-OAHLLOKOSA-N 297.398 3.595 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc(OC)c2)c1 33866520 FYYKLHBQWLEZOH-KTKRTIGZSA-N 268.312 3.600 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1 125743588 MIKBTTHBNZBEKK-BLLLJJGKSA-N 292.810 3.573 30 20 CHED C=CCC[C@@H](NC(=O)c1cnn(C(C)C)c1)c1ccccc1 188476854 ZBPBFBMGQFLDIX-QGZVFWFLSA-N 297.402 3.901 30 20 CHED N#Cc1ccccc1OCCSc1nc2ccccc2o1 37143649 MESQPOJLKRGZQU-UHFFFAOYSA-N 296.351 3.871 30 20 CHED COc1ccccc1CSCCCSCC#N 75076930 LOOQJAMZVBDCQP-UHFFFAOYSA-N 267.419 3.575 30 20 CHED C=CCn1c(SCc2cnoc2C)nc2ccccc21 126094762 GPPMQRYWCYSZTN-UHFFFAOYSA-N 285.372 3.811 30 20 CHED CC[C@H](C)Nc1ccc(C#N)cc1Br 37072225 DUFZNMKDADBDQT-QMMMGPOBSA-N 253.143 3.531 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1cccc(C#N)c1 123098606 LWTGLDFKINFDJJ-SJORKVTESA-N 299.418 3.668 30 20 CHED CCOc1ccccc1[C@H](C)NCc1cccc(C#N)c1 37748732 UQJGLFFCHVDMQZ-AWEZNQCLSA-N 280.371 3.808 30 20 CHED CCCCc1noc(CNc2ccc(Cl)c(C#N)c2)n1 128717788 WNINKQIYCIOMQW-UHFFFAOYSA-N 290.754 3.549 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OCCOC)cc1C 187839952 UMFIXTJWQZIPQF-KRWDZBQOSA-N 291.391 3.561 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)c1ccccc1SC 189240730 QSJMZHMDVMBGDT-INIZCTEOSA-N 293.432 3.600 30 20 CHED COc1ccccc1C[C@H](C)Nc1ccc(CC#N)cc1 37301923 CJGVEPDYAOJHHR-AWEZNQCLSA-N 280.371 3.804 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1scnc1C)CO2 78693833 LXUHJYQESXRVIK-WUXMJOGZSA-N 285.368 3.727 30 20 CHED N#Cc1ccccc1NC(=O)C1CCC(C(F)(F)F)CC1 216269084 FQOSCZDAHWQQPD-UHFFFAOYSA-N 296.292 3.865 30 20 CHED C=C(CC)CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 502555057 XGBAQOXWRMQHDH-MRXNPFEDSA-N 279.811 3.597 30 20 CHED CC[C@H](C)C(=O)Nc1ccccc1SCCC#N 78568664 PUHPFXDLOKTFMR-NSHDSACASA-N 262.378 3.677 30 20 CHED CCN(CC#N)Cc1ccc(OCc2ccc(F)cc2)cc1 121072473 UMUYVLXSNJHZGN-UHFFFAOYSA-N 298.361 3.750 30 20 CHED CC(C)(C)Oc1c(F)cc(NC(=O)C(C)(C)C#N)cc1F 182610070 GSSFQJQJTXAOCU-UHFFFAOYSA-N 296.317 3.630 30 20 CHED C=CCCC(=O)Nc1ccc(OCC)c(Br)c1 187427822 RQJOFUKBDFYJMN-UHFFFAOYSA-N 298.180 3.753 30 20 CHED CCS[C@H]1CC[C@@H](N(C)C(=O)C2(C#N)CCCCC2)C1 174434074 BWSCTPUGMTULBY-KGLIPLIRSA-N 294.464 3.593 30 20 CHED C=C(CC)CNC(=O)C[C@@H](c1cccs1)n1cccc1 412400607 DNGJFYNNMXKELB-AWEZNQCLSA-N 288.416 3.612 30 20 CHED CCSc1cc(Cl)ccc1C(=O)N[C@H](CC)CC#N 123989349 WTOLXJTXUWCVNH-LLVKDONJSA-N 296.823 3.874 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@@H](C)c1ccccc1 500211333 MDASJZCTMSYPCC-CYBMUJFWSA-N 294.354 3.699 30 20 CHED CCc1nnc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c(C#N)c1CC 124979853 JYXQZXTZWJFEDF-MQIPJXDCSA-N 286.423 3.710 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc2c(s1)CCCCC2 410823653 ATISANRCNBSEIB-ZDUSSCGKSA-N 290.432 3.781 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC)c1ccc(F)cc1F 183027193 SBCPEJQSUVXVLE-CQSZACIVSA-N 282.334 3.633 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc2cccc(C)c2o1 410831021 XOOBAOWORJAHCC-CYBMUJFWSA-N 270.332 3.506 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2cccc(O)c2)c1 33469888 YKKOOHFIDHLCED-HJWRWDBZSA-N 252.313 3.905 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1ccc(F)c(F)c1 189653156 OTPFHINWSVHYPL-BDJLRTHQSA-N 298.329 3.798 30 20 CHED Cc1cc(C)c(CCN[C@@H]2CCC[C@H](C#N)C2)c(C)c1 185865051 RSZOXEVYHWJKPX-DLBZAZTESA-N 270.420 3.826 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc3cccnc23)C1 185788696 QNIBICKBXLRNIS-JSGCOSHPSA-N 251.333 3.729 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1ccc(C)s1 182250360 LWDNIJFJPQBJPJ-CMDGGOBGSA-N 288.368 3.970 30 20 CHED Cc1ccc(CCCC(=O)Nc2sccc2C#N)s1 79383426 JYJSVCFXRPFYAD-UHFFFAOYSA-N 290.413 3.951 30 20 CHED C=CCC[C@H](NCC(C)(C)OCC1CC1)C1CC1 414253779 DIFFIFJDHZNKKI-HNNXBMFYSA-N 251.414 3.526 30 20 CHED C=CCCCN[C@@H](C[C@@H]1CCOC1)c1ccccc1 181214638 UUEUHJAOXSOCDD-RDJZCZTQSA-N 259.393 3.710 30 20 CHED COc1ccc([C@@H](C)NCc2cccc(C#N)c2F)cc1 221955190 FVYPLLBNRWOMNK-GFCCVEGCSA-N 284.334 3.557 30 20 CHED CC(C)CCN(CCC#N)C(=O)CCCC(C)(C)C 505196402 IGNNPXAKFURRQU-UHFFFAOYSA-N 266.429 3.991 30 20 CHED CCn1cc(N=C(O)N[C@@H]2CCCCC23CCCC3)cn1 329634055 WYFFAPBOQXGCEC-CQSZACIVSA-N 290.411 3.541 30 20 CHED C=CCC[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 191448700 JAAIVLGLBGFQCA-GOSISDBHSA-N 279.387 3.694 30 20 CHED C#CCN(CC)C(=S)Nc1cc(Cl)cc(Cl)c1 138918303 XXWKOZDQRKRNLQ-UHFFFAOYSA-N 287.215 3.645 30 20 CHED CCCCCCCCC(=O)O[C@H](C)c1nnc(C)o1 195351327 MIYBHRXZIHLVGD-LLVKDONJSA-N 268.357 3.733 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)s2)n1 48520367 IKYFPIKFTZUJKT-ZETCQYMHSA-N 282.777 3.657 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc2ccc(C)cc2o1 426038979 IBSKULHBORUCKV-AWEZNQCLSA-N 273.376 3.985 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(-c2ccoc2)c1 89822707 PWQUWCXOUQEASI-OAHLLOKOSA-N 282.343 3.615 30 20 CHED Cc1cc(C#N)ccc1CN1CCCc2sccc2C1 614398102 IICOQFJHANDIQA-UHFFFAOYSA-N 282.412 3.877 30 20 CHED C[C@@H]1CCC[C@@H](C(O)=Nc2cccc3c2CN=C3O)C1 329266210 HJTHPXDNVHGDIH-GHMZBOCLSA-N 272.348 3.919 30 20 CHED CC(C)C1(CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 133743230 QZEMYMYRUFDUAY-MRXNPFEDSA-N 299.418 3.767 30 20 CHED CC(C)(C)c1ccc(CCNc2ncccc2C#N)cc1 513177016 HZKBPCSNFBFIBB-UHFFFAOYSA-N 279.387 3.905 30 20 CHED C=CCC1(C(=O)Nc2cc(F)ccc2C(C)=O)CCC1 191949655 TWPHYUFNAZNBKR-UHFFFAOYSA-N 275.323 3.713 30 20 CHED C=CCC[C@@H](NC[C@@]1(C)C[C@H]2CC[C@H]1O2)c1ccco1 424294487 OXSFNFLLRIKJAC-MUIFIZLQSA-N 275.392 3.834 30 20 CHED C=C(Cl)CN1CCC(c2cccc(OC)c2)CC1 194958527 IPOZKGLUPDWPIE-UHFFFAOYSA-N 265.784 3.627 30 20 CHED Cc1cc(-n2cccn2)ccc1NCc1cccc(C#N)c1 190855099 LEVAWRJYSVONJY-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)Cc1ccc(C#N)cc1 193028981 UIZVBWAAERKYHF-CQSZACIVSA-N 284.403 3.576 30 20 CHED CCCCCCNC1CC(C#N)(c2ccccc2)C1 86036432 SWHBKZSAQRQFBE-UHFFFAOYSA-N 256.393 3.780 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)C1(C#N)CCCCC1 510544171 HVWDDMMUKXIRRY-LSDHHAIUSA-N 276.424 3.793 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc(N3CCCCC3=O)c2)C1 193083607 SXCOXKVNTAZBQC-HUUCEWRRSA-N 297.402 3.698 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Br)c(C)s1 424680053 TZEOUMYIBLHIPZ-ZETCQYMHSA-N 288.210 3.513 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425117101 WERWUGPENSNOAK-DAXOMENPSA-N 270.376 3.514 30 20 CHED CCC(CC)N(CC)C(=O)Nc1cccc(C#N)c1C 516809594 XUMIVWYZYAVZKD-UHFFFAOYSA-N 273.380 3.909 30 20 CHED CC[C@@H](/N=C(/O)Nc1ccc(F)c(C)c1)C1CCOCC1 331025417 VYDZGSXIAGPZGR-OAHLLOKOSA-N 294.370 3.665 30 20 CHED N#Cc1ccc(Oc2ccc(OC[C@H]3C[C@@H](O)C3)cc2)cc1 421216675 PWZDTCZAIFKSFO-GASCZTMLSA-N 295.338 3.500 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1cccc(C)c1 335771844 XHPZZQBBDSNJLX-UHFFFAOYSA-N 270.357 3.595 30 20 CHED C=C(CNC(=O)N1CCC[C@H]1CC(C)C)c1ccccc1 512680892 HFQSJPPVERLUOH-KRWDZBQOSA-N 286.419 3.920 30 20 CHED CC[C@H](C)[C@H](NC(=O)c1cccc(C#N)c1C)C(F)(F)F 511333116 LPDKWWFIHIJMOG-ZANVPECISA-N 298.308 3.574 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(CCC#N)Cc2ccccn2)o1 93100554 UAKQSGIEDLEWCP-YOEHRIQHSA-N 295.386 3.714 30 20 CHED N#Cc1cccc(NC(=O)N2Cc3cccc(Cl)c3C2)c1 335123836 YCKUWVDTYMGXMH-UHFFFAOYSA-N 297.745 3.759 30 20 CHED C=CCCCSCCOc1ccc(OC)cc1[N+](=O)[O-] 437270070 QPHMRKDGOOKGAG-UHFFFAOYSA-N 297.376 3.682 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C(F)(F)F)nc1 439462763 NVUUALDTDMXQKC-SECBINFHSA-N 287.285 3.577 30 20 CHED CC1CCC(CC(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 434032725 SQETXMZTLSIWSG-YMAMQOFZSA-N 276.424 3.744 30 20 CHED C[C@@H](SCc1cccnc1)c1cccc(C#N)c1 342004602 NVDSRRIEIIOCSE-GFCCVEGCSA-N 254.358 3.948 30 20 CHED COc1ccc(C)cc1CSc1nc(C)ccc1C#N 342558953 DSDNRCQKVGOKJF-UHFFFAOYSA-N 284.384 3.871 30 20 CHED Cc1ccnc(NC[C@@H](C)Sc2ccccc2)c1C#N 343446911 YPQJSPPYBJDRFE-CYBMUJFWSA-N 283.400 3.854 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H]1c1ccncc1 432569389 YHRNXVDBKPXQAK-OAHLLOKOSA-N 287.407 3.530 30 20 CHED N#Cc1cnccc1/C=C\c1cnc(-c2ccco2)s1 349115286 XIEZIXOUXLTIQT-ARJAWSKDSA-N 279.324 3.840 30 20 CHED CCc1ccc([C@H](CN[C@@H]2CCC[C@@H](C#N)C2)N(C)C)cc1 248819045 LEBCIPJIOGYQHK-QRQLOZEOSA-N 299.462 3.524 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H]2CCC[C@@H](C)C2)n1 522748152 SGVWZUZXPXWTPT-SKDRFNHKSA-N 261.394 3.636 30 20 CHED N#Cc1ccncc1NC[C@H](c1ccccc1)C1CC1 431497158 WJHPFUIMPPHNQU-MRXNPFEDSA-N 263.344 3.559 30 20 CHED CN1CCCC[C@@H]1CCSc1cccc(C#N)c1 340695165 IXQCDHSBHRBAPO-CQSZACIVSA-N 260.406 3.525 30 20 CHED CCC[C@@H](NCC(C)(C)CCC#N)c1cccnc1 348207234 NZPVEFBWXOOQLH-OAHLLOKOSA-N 259.397 3.842 30 20 CHED C=CCCCCCN(C)C(=O)CNc1cccc(Cl)c1 606881450 OMUBSUIVYSNDLH-UHFFFAOYSA-N 294.826 3.957 30 20 CHED C=CCCN(C)C(=O)c1ccccc1COc1ccccc1 341979142 DMIADWMSPFRWEE-UHFFFAOYSA-N 295.382 3.914 30 20 CHED N#CCCN(C/C=C\c1ccccc1)Cc1cccnc1 255363221 KHDGHVFEJUWJGU-YHYXMXQVSA-N 277.371 3.511 30 20 CHED COc1ccc(C)cc1CN(C#N)c1ccc(F)c(C#N)c1 525757503 ZLSCOGOWINHEOM-UHFFFAOYSA-N 295.317 3.502 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)CCC=C2 430726800 WUVACWSJKNUQTN-UHFFFAOYSA-N 292.313 3.909 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OCCCC)cc1 604880224 HTYGIBJHQQIFAB-ZDUSSCGKSA-N 261.365 3.560 30 20 CHED COCc1cccc(/C=C\C(=O)c2cccs2)c1 255499495 SIZJFFPJVKLSJP-FPLPWBNLSA-N 258.342 3.791 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(C)cc1OC 342696486 BFVGJYLTLYAIJR-UHFFFAOYSA-N 291.391 3.705 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(COC)cc2)no1 346101085 SLZHPJOXAMFFKV-UHFFFAOYSA-N 295.342 3.538 30 20 CHED N#CCC1(CN2CC[C@H]2c2ccc(Cl)cc2)CC1 602779859 SXIXTUJQARBIAT-AWEZNQCLSA-N 260.768 3.781 30 20 CHED CC(C)(CN[C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 442860241 KWGPBHXYYCKUAO-HZPDHXFCSA-N 256.393 3.537 30 20 CHED C=CCC1(C(=O)N2CCC(C=C)CC2)CCCCC1 448952851 GMONUYQWZVMBHE-UHFFFAOYSA-N 261.409 3.938 30 20 CHED C=CC[C@H]1N(C(=O)NCCC2CC2)CCCC1(C)C 445145925 BBYPZMRTSXZFCB-CQSZACIVSA-N 264.413 3.563 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C\c1ccccc1 255302934 XKNUJJSGNIKZAK-LUAWRHEFSA-N 292.338 3.609 30 20 CHED C=CC[C@@H](C)NC(=O)N(CCC)Cc1ccc(OC)cc1 604900917 DXYVDAFLXISSJQ-CQSZACIVSA-N 290.407 3.581 30 20 CHED FC(F)Oc1ccccc1CON=Cc1cccs1 255204462 VVUPXPBQOQYOAP-UHFFFAOYSA-N 283.299 3.900 30 20 CHED Cc1oc2ccccc2c1CNC[C@@H](C)CCC#N 602611984 OXYRGXYDEDMQTR-LBPRGKRZSA-N 256.349 3.771 30 20 CHED CC[C@H](CC#N)NCc1ccc(F)c2ccccc12 602610644 HXAXGYLZHOAOCM-CYBMUJFWSA-N 256.324 3.761 30 20 CHED CCOc1ccc(OCCOc2ccc(C#N)cc2C)cc1 608886288 DEWFPHMBKPIDDW-UHFFFAOYSA-N 297.354 3.723 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccc2c(n1)CCCC2 446905614 UMNJGYPQDBUEGL-ZIAGYGMSSA-N 258.409 3.651 30 20 CHED C[C@H](Nc1cccnc1C#N)c1cccc(OC(F)F)c1 357313658 KRIVANMSKBSRAV-JTQLQIEISA-N 289.285 3.728 30 20 CHED CCC(C#N)(CC)C(=O)N1CCCc2c(C)cccc21 602257946 BVDYGQCDHRFZPT-UHFFFAOYSA-N 270.376 3.604 30 20 CHED N#Cc1nccnc1SCc1cccc2ccccc12 608831055 MOWBAUDYAOAMDR-UHFFFAOYSA-N 277.352 3.794 30 20 CHED C=CC[C@H]1N(Cc2ccc(C(=O)O)cc2)CCCC1(C)C 263436059 URXLEWULNHZDLP-MRXNPFEDSA-N 287.403 3.952 30 20 CHED C=CC[C@H](C)NC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 353783310 AWRIWVKYTXDRSW-LBPRGKRZSA-N 299.370 3.567 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1 355670261 JMIRRFJHBKHUJI-UHFFFAOYSA-N 298.386 3.646 30 20 CHED C=C(C)CN(CC)C(=O)CSCCCC(C)C 537415083 DYCSRDDIDAEDRE-UHFFFAOYSA-N 257.443 3.580 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cnc(CCC)s2)C1 617782755 LZLFTOJWZQJZJW-GFCCVEGCSA-N 278.421 3.524 30 20 CHED C[C@H](CC(=O)N(C1CC1)C1(C#N)CCC1)c1ccccc1 357387502 WEWFIBDHDRQPMJ-CQSZACIVSA-N 282.387 3.617 30 20 CHED C=CCCCCCN(C)CCc1nc2ccccc2n1C 532967369 NWEVNEXTOSNNLO-UHFFFAOYSA-N 285.435 3.794 30 20 CHED C=C(CC)CN1CCC(Nc2cccc(C)c2)CC1 536907246 XVAKFGRCXQSLFW-UHFFFAOYSA-N 258.409 3.838 30 20 CHED C[C@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC(C)(C)C1 356741366 RMKKEYVQEGSJAI-NVXWUHKLSA-N 298.430 3.969 30 20 CHED N#Cc1ncccc1NCCc1ccccc1C(F)(F)F 357195753 YOLMZYSLDXUPBF-UHFFFAOYSA-N 291.276 3.627 30 20 CHED Cc1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 538269096 SUQPZIKUIIVYDG-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3ccncc3c2)C1 617777504 QPKGDCZCWXXELC-AWEZNQCLSA-N 280.371 3.663 30 20 CHED C=CCN(C(=O)N[C@H]1CCCc2ccc(C)cc21)C1CC1 358922412 LDVYFIFCJOJQLC-KRWDZBQOSA-N 284.403 3.732 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1SC 448795367 DUVFNOCCVJBENI-PWSUYJOCSA-N 297.807 3.592 30 20 CHED CCN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccncc1 356145118 FZEPFRGNQUFLHB-INIZCTEOSA-N 293.370 3.522 30 20 CHED C=CC(C)(C)CNCC1(CCOC)CCCCC1 449485358 MEKCJMQFAWIBHH-UHFFFAOYSA-N 253.430 3.775 30 20 CHED CC[C@@H](C)CN(CC)C(=O)N[C@H](C)c1cccc(C#N)c1 610500061 XLNOGOWHPCXMDE-ZIAGYGMSSA-N 287.407 3.697 30 20 CHED N#CCCCN[C@@H](c1c[nH]c2ccccc12)C(F)(F)F 353149715 RKMICNYSBZQEHP-ZDUSSCGKSA-N 281.281 3.665 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2CCCSC2)CCCC1(C)C 356160585 IALNYAVNWNAOOK-UONOGXRCSA-N 281.465 3.723 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(c3ccc(Cl)cc3)CC2)C1 442790772 HPZMDVGEJLPYGF-DOMZBBRYSA-N 274.795 3.653 30 20 CHED C=CC1CCN(C(=O)c2ccc3nccc(C)c3c2)CC1 352676019 SHHXMPZZDIPQRC-UHFFFAOYSA-N 280.371 3.581 30 20 CHED N#Cc1ccc(SCCOC2CCCCCC2)nc1 610117059 BWJJQBPGZVJGTH-UHFFFAOYSA-N 276.405 3.785 30 20 CHED CCc1ccccc1Cc1noc(-c2cc(C#N)cs2)n1 618423821 YVMDDHHLAMUWRV-UHFFFAOYSA-N 295.367 3.823 30 20 CHED Cc1cccc2c(N3C[C@@H](C)C[C@@H](C)C3)c(C#N)cnc12 610210870 FZCVYORVBXDQQQ-BETUJISGSA-N 279.387 3.897 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@H]1CCCS1 266498787 YOWPPOBZPKALBJ-CYBMUJFWSA-N 292.429 3.526 30 20 CHED C=C(CC)CN1CCO[C@H](c2ccc(OC(F)F)cc2)C1 539143708 JRWZJYZSJIBPAX-HNNXBMFYSA-N 297.345 3.628 30 20 CHED C=CCCC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F 537752435 LKESIVQHKQOELT-ZDUSSCGKSA-N 271.282 3.547 30 20 CHED CC(C)C(NC(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C 610900963 SKPLDYHHKIPYGB-CYBMUJFWSA-N 287.407 3.599 30 20 CHED C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1cccs1 619582715 VDXBBEXCQBAGJA-DZGCQCFKSA-N 298.411 3.698 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccc2c(c1)CCCC2 450658576 DKEDZDJORSZHAD-CQSZACIVSA-N 268.404 3.910 30 20 CHED CC(C)(C#N)CCSCc1nc(-c2cccs2)no1 276595108 JAWQEDGTKVWDJK-UHFFFAOYSA-N 293.417 3.971 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1nccc2ccccc12 453356401 OEHLOGCVSGKRMQ-XYPHTWIQSA-N 282.387 3.619 30 20 CHED Cc1c(Cl)cnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1C#N 543205608 BHAHQXKZDPDECW-WBIUFABUSA-N 289.810 3.930 30 20 CHED CCn1nc(N[C@H](C)c2cccc(C#N)c2)cc1C1CC1 276151507 DXLOISGZHXMCAE-GFCCVEGCSA-N 280.375 3.825 30 20 CHED C=C(C)[C@@H](NCc1ncc(CC)o1)c1ccc(F)c(F)c1 548491984 XXDVJEFAHGYWMA-MRXNPFEDSA-N 292.329 3.922 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H]1CC12CCCCC2 540487079 AKJLOOPTTCDQHK-KGLIPLIRSA-N 264.413 3.753 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N1CCC(CC#N)CC1 541048884 DPTGMADVWSQLDY-MRXNPFEDSA-N 276.424 3.745 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)Cc1cccc(F)c1 458737685 PNSYGDBVMNGWJV-BBRMVZONSA-N 292.398 3.753 30 20 CHED C[C@H](NC(=O)N(C)CC(C)(C)C#N)c1ccccc1Cl 457465919 SYDWCDFHTZILLF-NSHDSACASA-N 293.798 3.592 30 20 CHED C#CCCCNc1ccccc1SC[C@H](C)C#N 270920379 NOMNFJJETTZITO-CYBMUJFWSA-N 258.390 3.764 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2ccc(CC#N)cc2)C1 543206553 RPJWPVBYQVMKTA-HUUCEWRRSA-N 256.393 3.763 30 20 CHED CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(CC#N)cc1Cl 455744269 DYHYVVZCECOJQN-LLVKDONJSA-N 293.798 3.914 30 20 CHED C#CCCCCC(=O)N(C)c1cccc(OC(F)(F)F)c1 271383681 RUDNPOZRQFGXJV-UHFFFAOYSA-N 299.292 3.742 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)c1 544187261 NGKOVYYJCMYOPM-QGZVFWFLSA-N 294.373 3.995 30 20 CHED C=C[C@H](Cc1nc([C@H]2C[C@@H]2C)no1)c1ccccc1 546486599 VXTDGSXRUZDNLG-SCRDCRAPSA-N 254.333 3.705 30 20 CHED C[C@@H]1CCC[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)C1 376593786 AYRJPRIZPPIIHA-IAGOWNOFSA-N 297.446 3.765 30 20 CHED C=CCOc1cccc(CN[C@H](C)CCc2ccco2)c1 620438750 KDDSFCRBRZXJDP-OAHLLOKOSA-N 285.387 3.955 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1cc(C)sc1C 278569552 QRDNFVLBKYHBTL-UXIGCNINSA-N 293.432 3.523 30 20 CHED COc1ccc([C@@H]2CCCN2c2nccc(C)c2C#N)cc1 272975344 CGDOUFDCWDOZJQ-KRWDZBQOSA-N 293.370 3.612 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2c3c(cccc13)CC2 276281450 IJEYIRSNBQCGTO-UHFFFAOYSA-N 280.371 3.978 30 20 CHED C=C(C)CCN(C)CCc1cccc(Br)c1 463419282 LDTXEZPPWJFFQY-UHFFFAOYSA-N 282.225 3.890 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(Cl)ccc(F)c1C 466526947 KXEUMJUSSCFSAE-JTQLQIEISA-N 269.747 3.872 30 20 CHED C=CCN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)C(C)(C)C 622945279 ZYGIURIFACCQOC-GJZGRUSLSA-N 281.440 3.641 30 20 CHED C[C@@H](NC(=O)C1(C)CCCCC1)c1ccc(C#N)cc1 548033095 CFKKBWLMSGEFLD-CYBMUJFWSA-N 270.376 3.706 30 20 CHED Cc1c(Cl)cccc1C(=O)N1CCc2ccc(C#N)cc21 469682080 SPESYFMSSDUDSF-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=CCn1cc(-c2cccc(OCCOCCC)c2)cn1 629703795 KWKWAVIWMYQIHW-UHFFFAOYSA-N 286.375 3.542 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 373495486 MZEHDIHCECLCCB-GDBMZVCRSA-N 290.382 3.679 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1 288457601 VUEJBHFWDMSWOD-MSOLQXFVSA-N 296.414 3.583 30 20 CHED CC(C)c1[nH]ccc1C(=O)Nc1ccccc1O[C@@H](C)C#N 285714540 FAZXXWNLMUCTQT-LBPRGKRZSA-N 297.358 3.681 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@](C)(C#N)CC 285621045 YATYPHSIXAMXNT-HOCLYGCPSA-N 292.810 3.717 30 20 CHED C=CCC[C@H](NCc1csc(COC)n1)c1ccco1 289623265 DRGZSAPYQOJESO-ZDUSSCGKSA-N 292.404 3.680 30 20 CHED C=CCCN(C)C(=O)NCCCCc1ccc(F)c(F)c1 466806759 VJXSTRZTNNQITI-UHFFFAOYSA-N 296.361 3.505 30 20 CHED CC#CCCCC(=O)N(Cc1ccccc1)CC(C)C 464574496 XFNJKSKQYXOYQH-UHFFFAOYSA-N 271.404 3.865 30 20 CHED C=C(C)CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 553736508 NYLWBEKNPSWKMT-BBWFWOEESA-N 284.403 3.540 30 20 CHED C=CCN(C(=O)c1ccnn1CC1CCC1)c1ccccc1 633133886 JNKJQWIKDULBQB-UHFFFAOYSA-N 295.386 3.516 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cc(C#N)ccc1C 289424691 BZFGDSHZWXMPLB-CYBMUJFWSA-N 273.380 3.909 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1ccc(C(F)(F)F)nc1 288701883 DHODRNAYQBAAEL-JTQLQIEISA-N 299.292 3.754 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCC[C@@H](CCCC(=O)OC)C1 551176073 TUWVTBZQOKLRDD-HRCADAONSA-N 281.440 3.833 30 20 CHED N#CC1(NC(=O)CC2CC(c3ccccc3)C2)CCCCC1 280986134 MFYOIUASXAPTOS-UHFFFAOYSA-N 296.414 3.913 30 20 CHED C=CCCC[C@H](C)N[C@@H](c1nc[nH]n1)C1CCCCC1 638837807 XPXQCXXRQBHKCM-DZGCQCFKSA-N 276.428 3.761 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CC12CCCCC2 556928247 XENRRZVBWIYXIP-CQSZACIVSA-N 297.402 3.899 30 20 CHED C#CC[C@@H](NC[C@H](OC)c1ccccc1)c1ccccc1 801937698 UFLOYABKQQFSJP-MOPGFXCFSA-N 279.383 3.728 30 20 CHED C=C(Cl)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 298456344 HTIXBDIQWKNUEB-CHWSQXEVSA-N 290.165 3.651 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)C#N)CC(C)(C)C1 470180502 ODHXSPPJRMAUOM-CHWSQXEVSA-N 264.413 3.505 30 20 CHED CC#CC(=O)N[C@H](CCC(C)C)c1ccc(Cl)cc1 801135610 CYOBAWROAXPGGM-OAHLLOKOSA-N 277.795 3.957 30 20 CHED Cc1cccc2c1N(C(=O)CCCC#N)CC[C@@H]2C 297993419 XYXKWAWUORXJAE-LBPRGKRZSA-N 256.349 3.529 30 20 CHED C=C(C)COC(=O)c1ccccc1C(=O)c1cccs1 804280977 PFXUCCPCJCHGQA-UHFFFAOYSA-N 286.352 3.712 30 20 CHED Cc1ccccc1[C@@H](NCCO[C@H](C)C#N)C(C)(C)C 801938558 GWKXRHQZFHGKBB-GDBMZVCRSA-N 274.408 3.601 30 20 CHED C[C@@H](NC(=O)N1CCC(CCC#N)CC1)C1CCCCC1 569806131 HBHWMIUSKLMOMW-CQSZACIVSA-N 291.439 3.681 30 20 CHED Cc1ccc(C2=CCN(c3cc(C#N)cc(C)n3)CC2)cc1 804336857 QDBXGHOVKNGLPI-UHFFFAOYSA-N 289.382 3.864 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cn(C)nc2C(F)F)c1 291677205 WMIISAAZJQXDQL-SNAWJCMRSA-N 290.313 3.871 30 20 CHED C#Cc1ccc(CNc2cnn(C)c2-c2ccccc2)cc1 809726827 WCCCEWSPKVPJEK-UHFFFAOYSA-N 287.366 3.681 30 20 CHED C#CCCc1noc(-c2ccc(Cl)c3ncccc23)n1 809396665 NJTOJOMBLJBMHG-UHFFFAOYSA-N 283.718 3.504 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 295267958 LIDWOHLAIIDPGU-GOEBONIOSA-N 271.404 3.678 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C)(C)[C@@H]1C#N 477098074 LLHPEWIZXDSLIB-ILXRZTDVSA-N 276.424 3.744 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccccc1F 807991215 SYTMJCPVLURENZ-UHFFFAOYSA-N 287.294 3.878 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc([C@H]2CCOC2)c1 294231834 MVCQQYFGSMFIIO-INIZCTEOSA-N 287.403 3.523 30 20 CHED CC(C)Oc1ccccc1CSCCO[C@@H](C)C#N 802749778 NAJWZQRJRYSJOZ-ZDUSSCGKSA-N 279.405 3.636 30 20 CHED C#C[C@H](CC)NCc1ccccc1OC1CCCC1 809686297 IHDJGXXIVNYFIC-OAHLLOKOSA-N 257.377 3.509 30 20 CHED C=C(CNC(=S)Nc1ccsc1)c1ccccc1 806595737 XVJJMMFJUPQZCB-UHFFFAOYSA-N 274.414 3.748 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(F)ncc1F 294926530 UELWVJRWMHSUQE-UHFFFAOYSA-N 281.350 3.512 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(F)c(SC)c1 488812050 DIUHDTSVWSXQMB-GFCCVEGCSA-N 279.380 3.728 30 20 CHED Cc1ccc(C(=O)OC2(CC#N)CCC2)cc1-n1cccc1 810857138 LEYIEZINOWVTQZ-UHFFFAOYSA-N 294.354 3.779 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)CCCC#N 567303009 GLNJFLDEWXZEFV-CQSZACIVSA-N 252.402 3.888 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(F)ccc1OC)C2 812243041 BHYMJCLTCRDAPH-JYRVWZFOSA-N 298.313 3.665 30 20 CHED C=CC[C@H](C(=O)OCCC1CCOCC1)c1ccccc1 814466953 SFHBEIYGBCZROY-KRWDZBQOSA-N 288.387 3.706 30 20 CHED C(=NNC[C@H]1CCSC1)c1ccc2ccccc2c1 811661079 DMDRVLTVYVWWAJ-CQSZACIVSA-N 270.401 3.516 30 20 CHED C=C(CC)CN(Cc1ccc(F)cc1)C1CCOCC1 572867082 AIUFTENVRTVTEN-UHFFFAOYSA-N 277.383 3.773 30 20 CHED C[C@H](C#N)CN(C)C(=O)NCC1CCC(C(C)(C)C)CC1 486088297 OWNRAGZOTKFQRS-WLYUNCDWSA-N 293.455 3.640 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1nc2cccc(Cl)c2n1C 480672072 NZNRTKCAXFXPRJ-NEPJUHHUSA-N 291.826 3.917 30 20 CHED CCC(=NO[C@H]1CCCCO1)c1ccc(Cl)c(N)c1 814888406 YYMNLOWHOCGHNK-AWEZNQCLSA-N 282.771 3.580 30 20 CHED C=CCCCCOC(=O)CCc1cccc(OC)c1F 811010000 FJSJGNUDEJONMN-UHFFFAOYSA-N 280.339 3.666 30 20 CHED N#CCCCC(=O)OCC1CCC(C(F)(F)F)CC1 812617099 CNWLOYPHTOHSSH-UHFFFAOYSA-N 277.286 3.592 30 20 CHED N#Cc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1F 484080575 PJDUYNPKRUIIAK-UHFFFAOYSA-N 284.309 3.615 30 20 CHED Cc1[nH]c(=N[C@H](C)c2ccc(OC(C)C)cc2)ccc1C#N 488076403 MZBYVXJJUHMBIK-CYBMUJFWSA-N 295.386 3.644 30 20 CHED CC[C@H](Cc1ccccc1-c1ccc(C#N)s1)C(=O)O 579973006 RYFASFGLIKAXAQ-LLVKDONJSA-N 285.368 3.940 30 20 CHED Cn1ccc(C=NN(c2ccccc2)c2ccccc2)n1 814685572 JYJMWSCRDNDFIF-UHFFFAOYSA-N 276.343 3.592 30 20 CHED Fc1cccc(NN=Cc2cccc3cc[nH]c23)c1F 814859185 LYIHPMFSEWDLPB-UHFFFAOYSA-N 271.270 3.892 30 20 CHED C#C[C@@H](NC(=O)Nc1ccc(C)nc1)c1ccc(Cl)cc1 810196100 UVWOSOGQYRBXQG-OAHLLOKOSA-N 299.761 3.539 30 20 CHED C=CCOc1cccc(C=NNc2ccccc2F)c1 812460648 RZNJFPHQFPEGFN-UHFFFAOYSA-N 270.307 3.837 30 20 CHED N#CCCC1CCN(C(=O)[C@H]2CCCC[C@H]2C2CC2)CC1 572244591 ABEPYQSJEWLNNN-IRXDYDNUSA-N 288.435 3.745 30 20 CHED C#Cc1ccccc1CC(=O)N1CCCC[C@@H]1CC(C)C 810524736 NKEVPIROQKDIES-GOSISDBHSA-N 283.415 3.638 30 20 CHED N#Cc1c(F)cccc1CSc1ncc2ccccn12 488209996 APUUVZIMBNJHSZ-UHFFFAOYSA-N 283.331 3.637 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1ccnc2ccccc12 488889091 ZMRHIKUSOAYCLT-MRXNPFEDSA-N 294.398 3.735 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(CSC)c1 574374769 PGTSSXNIVSMEPR-UHFFFAOYSA-N 278.421 3.883 30 20 CHED C=CCCn1cc(CN[C@H](CC(C)C)c2ccccc2)nn1 653597940 GYKXPCHVWCKNLB-GOSISDBHSA-N 298.434 3.731 30 20 CHED CCCCCCCCOC(=O)c1cnn(C)c1C(F)F 727568186 NCTKRZADZWOIGI-UHFFFAOYSA-N 288.338 3.875 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1cc(C(C)C)oc1C 571679034 GQPDZJVTCXUVIK-UHFFFAOYSA-N 298.342 3.844 30 20 CHED CC[C@H](NCc1ccc(C#N)cn1)c1cccc(Cl)c1 572312768 VPXSEMIDQDIYJA-INIZCTEOSA-N 285.778 3.848 30 20 CHED C=CCN(C)C(=O)c1ccc(C2CCCCC2)cc1 490047691 YBVCBJUPNOQLQC-UHFFFAOYSA-N 257.377 3.992 30 20 CHED CCCn1cccc1C=NNc1ccc(OC(F)F)cc1 726426787 HIRKDWBSWRSRFQ-UHFFFAOYSA-N 293.317 3.946 30 20 CHED C=CCCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 661570659 QLKRQWFSBAHAMK-UHFFFAOYSA-N 299.201 3.637 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2F)ccc1F 729140582 KEZISIORYOODLP-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccccc1C(F)F 824091004 XJOZRXXSFRCDES-UHFFFAOYSA-N 251.276 3.612 30 20 CHED C[C@@H](c1ccccc1)N(CCO[C@H](C)C#N)C1CCCC1 823110481 VYJQAFXLDBKVNJ-CVEARBPZSA-N 286.419 3.921 30 20 CHED CCCOc1ccc(C=NNC2CCCC2)cc1OCC 727652747 XRZIFSLRGQWLDB-UHFFFAOYSA-N 290.407 3.740 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 578343589 XVYCHKFQHRSRME-QNHTTWNFSA-N 266.388 3.597 30 20 CHED COc1cccc(NN=C(C)c2ccc(C)cc2)c1 725853847 TWRSSYQLBIHXSS-UHFFFAOYSA-N 254.333 3.840 30 20 CHED C=C(C)CNC(=O)c1ccc(-c2ccc(CC)cc2)o1 490079503 KEVWVPZKLBETFD-UHFFFAOYSA-N 269.344 3.815 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C=C2CCCC2)cc1 726940174 MCOVIVZCQLDTIF-UHFFFAOYSA-N 268.360 3.742 30 20 CHED C=CCCCC(=O)O[C@@H](C(=O)C1CC1)c1ccccc1 820416794 VTDWRQOXNRCAOW-QGZVFWFLSA-N 272.344 3.606 30 20 CHED C=CCN(CC=C)C(=O)/C=C\c1nc2ccccc2s1 490919778 RNOBUKPPHRWUFC-KTKRTIGZSA-N 284.384 3.510 30 20 CHED CCOCOc1cnccc1-c1cc(C)c(C#N)c(C)c1 904878296 OMOMEQBORVFYIK-UHFFFAOYSA-N 282.343 3.610 30 20 CHED COC1CCC(C(=O)OCCCCC2(C#N)CCC2)CC1 909206227 AURJDCHZDXODCR-UHFFFAOYSA-N 293.407 3.599 30 20 CHED C=CC[C@H](NC(=O)N(CC)[C@H](C)C(C)C)c1ccncc1 734678341 GEZIYPVITLZPNW-ZBFHGGJFSA-N 289.423 3.775 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N(C)CC(C)(C)C#N 497387381 KEVDDHGJHTUEKO-HNNXBMFYSA-N 286.419 3.654 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCc1ccccc1F 490410240 QWPFAHUKHJUHQM-CQSZACIVSA-N 282.362 3.933 30 20 CHED COc1ccc(N=Cc2ccccc2O)cc1OC(C)C 588457767 SSMRRVUZEONHFK-UHFFFAOYSA-N 285.343 3.939 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cncc(F)c1 737415698 GQWKHUZAJKONSL-UHFFFAOYSA-N 286.335 3.667 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc(-c2ccccc2)c(C)s1 586671689 UZMXROSMUGOYMF-MRXNPFEDSA-N 299.399 3.997 30 20 CHED Cc1ccoc1C(=O)/C=C\c1nccn1-c1ccccc1 588580333 ZRTKZLIMTLFMNS-FPLPWBNLSA-N 278.311 3.670 30 20 CHED C=CCCC(C)(C)NCc1ncccc1C(F)(F)F 668778440 RECGCATWGXKIOJ-UHFFFAOYSA-N 272.314 3.935 30 20 CHED N#CCCCOC(=O)C1(Sc2ccccc2)CCCC1 733557030 VTRDJBZXAOXNLH-UHFFFAOYSA-N 289.400 3.938 30 20 CHED C=CCC(=NNc1ccccc1C(=O)O)c1ccc(F)cc1 735611883 FRSPSQQTUMWRRK-UHFFFAOYSA-N 298.317 3.916 30 20 CHED N#Cc1ccnc(CSCc2ccn(C3CCCC3)n2)c1 901770369 ULYSRLBBLGXFDD-UHFFFAOYSA-N 298.415 3.698 30 20 CHED C=CC[C@@H](NC(=O)Nc1cccc(F)c1)c1ccncc1 734515553 MXRPQMURBZWSIP-OAHLLOKOSA-N 285.322 3.660 30 20 CHED C#CCCCSCc1cc(C(=O)O)ccc1Cl 833362182 DITNANNFHPOWIV-UHFFFAOYSA-N 268.765 3.685 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H]1c1ccsc1 588295285 QMPOAPUFQYOJHY-AWEZNQCLSA-N 276.405 3.886 30 20 CHED CC[C@H](NCC[C@@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1 903265156 QRAMRZHKQKSMAB-BZSNNMDCSA-N 286.419 3.540 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC[C@@H](CC)C1 582372350 LXXLQIHAMPFWEK-CQSZACIVSA-N 288.439 3.748 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cc(C#N)ccc1NC 586818109 NIQXECRWSNMZJI-LLVKDONJSA-N 273.380 3.611 30 20 CHED CC[C@@H](NCCCc1nccs1)c1cccc(C#N)c1 902871732 TXXIWMHUKGPLIE-OAHLLOKOSA-N 285.416 3.688 30 20 CHED Cc1ccc(COc2cccc(NC(=O)[C@H](C)C#N)c2)cc1 736679344 BNTPXOZVMWVZDS-CQSZACIVSA-N 294.354 3.672 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 670804093 VIBVJNUUANEMMR-DGCLKSJQSA-N 299.336 3.965 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NC[C@]1(C)CCOC1 733340785 QDNFFHPLENRJNK-WBVHZDCISA-N 298.471 3.709 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@]1(C)CC=CCC1 835240704 FCTXHFYELYWULP-QGZVFWFLSA-N 269.344 3.656 30 20 CHED CCCNN=C(C)c1cnn(-c2cccc(Cl)c2)c1C 731559279 XKNXDKSGBBJPTC-UHFFFAOYSA-N 290.798 3.558 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC(C)(C#N)CC1 834978408 FZLRJZCNRSSRLK-XPCCGILXSA-N 285.391 3.503 30 20 CHED C=CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 597213132 FUAZFPQHGPPPQD-UHFFFAOYSA-N 299.326 3.911 30 20 CHED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C#CC1CC1 837332023 YMXFKZQZPPQUNO-SNVBAGLBSA-N 296.197 3.926 30 20 CHED C=C(C)CCOC(=O)c1ccc(OC2CCC2)cc1 744299493 DBTJEHOSUWVHCH-UHFFFAOYSA-N 260.333 3.741 30 20 CHED C#CCO[C@H](C)c1nc([C@@H](c2cccc(C)c2)C(C)C)no1 834737051 FZTNYKRVJSBCDI-GDBMZVCRSA-N 298.386 3.877 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc3ccccc3n2)s1 749318684 RPCLAGCXVBBOJO-UHFFFAOYSA-N 294.335 3.525 30 20 CHED COCCON=Cc1ccc(-c2cccc(F)c2)s1 748791143 GQZQHCPBYLEMLT-UHFFFAOYSA-N 279.336 3.551 30 20 CHED CC(C)(CNC(=O)Cc1ccccc1CC#N)C1=CCCC1 837215603 DBFJJXSHMDILDI-UHFFFAOYSA-N 296.414 3.548 30 20 CHED N#Cc1ccc(CNCc2cccc(C3CC3)c2)c(F)c1 591503735 PIUGXCMUKORWDE-UHFFFAOYSA-N 280.346 3.865 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@](C)(C#N)C1 591335551 CJZZCYJTSIZDDO-JKIFEVAISA-N 291.439 3.536 30 20 CHED COCC[C@H](Nc1ccc(C#N)cc1C)c1ccco1 846752060 WSHQZPCXNSTXFL-HNNXBMFYSA-N 270.332 3.649 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)c1ccccc1SCC#N 742720259 SYVUKHPREWTEPC-OLZOCXBDSA-N 290.432 3.857 30 20 CHED CCOc1ccc(/C=N\Cc2cc3ccccc3[nH]2)c(O)c1 746680941 BIXSLAYEBCPXFO-ODLFYWEKSA-N 294.354 3.891 30 20 CHED CCN(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@@H](C)C#N 598357362 AXIYAAJBMKBNLK-UWVGGRQHSA-N 299.201 3.857 30 20 CHED CCCCCCO[C@@H](C)C(=O)[C@H](C#N)c1nc(C)cs1 842281435 LSJSFHGJZPTNHX-STQMWFEESA-N 294.420 3.613 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 741995386 BEOUFFPIPRSASD-LIHFQWBESA-N 294.398 3.656 30 20 CHED CC[C@H](NCCCc1ccco1)c1ccc(C#N)cc1 595092933 BKFQVTZUVGTTTI-KRWDZBQOSA-N 268.360 3.825 30 20 CHED O=C1/C(=C\c2ccc(-n3cccn3)cc2)Cc2ccccc21 844153208 QWKIEKHQGBFOAJ-VBKFSLOCSA-N 286.334 3.695 30 20 CHED CC/C(C)=C(\C)C(=O)N(CC#N)c1ccc(Cl)cc1 843610182 DOBVZXIMKFMCRI-VAWYXSNFSA-N 276.767 3.943 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2cccc3c2CCCC3)C1 596632875 QLQZEBXDJZLUAU-AWEZNQCLSA-N 297.402 3.723 30 20 CHED C=CCCSCCN[C@@H]1CCC[C@H]1CCCF 595060119 RSWGRWUZINUOCK-UONOGXRCSA-N 259.434 3.804 30 20 CHED CCOc1cccc(/C=N/[C@@H]2C[C@@]2(C)c2ccccc2)c1O 741464655 QINDJPDCAWADRV-DITKOHGZSA-N 295.382 3.940 30 20 CHED CCCCC(CC)=NNc1cc(Cl)nc(C)n1 741766315 QVTBVAIOPVUHMX-UHFFFAOYSA-N 254.765 3.807 30 20 CHED CCc1cc(C)nc(Oc2c(C)cc(Cl)cc2C#N)n1 591465541 GYLHOLPVJPHDHS-UHFFFAOYSA-N 287.750 3.973 30 20 CHED C=CCOc1ccc(OC(=O)/C=C/c2ccccc2)cc1 742861790 FWWCZHHXWHKMAP-MDWZMJQESA-N 280.323 3.870 30 20 CHED Fc1ccc(/C=C/C=NNc2cnnc3ccccc23)cc1 747750804 XVMOIRIKKPDMFO-KMMPQYOHSA-N 292.317 3.880 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccnn1CC(C)C)C2=O 843269586 RNCAKMPLMXCLLM-ZROIWOOFSA-N 296.370 3.506 30 20 CHED CC1(C)CCC/C(=C/c2ccc(C(=O)O)c(F)c2)C1=O 849246637 JJIBDURVBRKIPB-FLIBITNWSA-N 276.307 3.687 30 20 CHED N#CCC1CCN(CC[C@H]2CCc3ccccc32)CC1 595427613 YAAAXSQXHXPQIU-QGZVFWFLSA-N 268.404 3.732 30 20 CHED CC#CCCCc1nc(Cc2ccc3ccccc3n2)no1 685238369 KIJHAARKNAYNGE-UHFFFAOYSA-N 291.354 3.555 30 20 CHED C=C(C)CCOC(=O)[C@@H]1CCSc2ccccc21 744304767 CHRLKCIAOUPEHY-CYBMUJFWSA-N 262.374 3.775 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] 920385939 LMDWVBWXCOSZOR-GFCCVEGCSA-N 283.331 3.670 30 20 CHED C=CCC1(C(=O)Nc2ccc(O)cc2OC)CCCCC1 923624272 PMDWPHBBSHIDFA-UHFFFAOYSA-N 289.375 3.866 30 20 CHED CCC[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N 758122213 OJHVILIHQDAJNA-VIFPVBQESA-N 285.265 3.922 30 20 CHED C=CCC(CC=C)C(=O)NCc1c(C)cccc1F 758505445 NHQOWNZJCKPQIX-UHFFFAOYSA-N 261.340 3.519 30 20 CHED C#CCCCCNC(=O)N1c2ccccc2C(C)(C)[C@H]1C 853853315 WFZFBDQZQRRJCG-CQSZACIVSA-N 284.403 3.686 30 20 CHED C/C=C(\C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 751389361 OXMUSWXQLZUGKY-KGVSQERTSA-N 296.395 3.869 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)OCCCCC#N 924251249 ZSWJDDHQTHXLMM-NSHDSACASA-N 281.352 3.543 30 20 CHED CCC(CCc1ccc(Br)cc1)=NOC 921141351 WLBBCIMDVQUXHB-UHFFFAOYSA-N 270.170 3.794 30 20 CHED N#Cc1ccc(CSc2nccs2)c(OC(F)F)c1 753062376 REEUDWFIPKRTPA-UHFFFAOYSA-N 298.339 3.908 30 20 CHED C=C(C)COC(=O)c1cccc(-c2ccccn2)c1C 755017439 OMYDSIDYQDJWOX-UHFFFAOYSA-N 267.328 3.790 30 20 CHED CCCCCC=NNc1nc(-c2ccccc2)no1 755683758 UCARNGVLKLYZPN-UHFFFAOYSA-N 258.325 3.715 30 20 CHED O=C(/C=C\c1cc2cc(F)ccc2o1)c1cc(O)cc(O)c1 753717872 WNLOPLJPHFWFBU-IHWYPQMZSA-N 298.269 3.879 30 20 CHED O=C1/C(=C\c2cccnc2)CCc2c(Cl)cccc21 758040440 PTORIDYSMRZLOU-XFXZXTDPSA-N 269.731 3.948 30 20 CHED CCc1ccccc1CC(=O)O[C@H](C)CC(C)(C)C#N 851205582 HVXHZEGRWNWKLC-CYBMUJFWSA-N 273.376 3.663 30 20 CHED C#C[C@H](CC)NC(=O)CCCc1ccc2ccccc2c1 754373327 JEJIFGLONRSLOT-GOSISDBHSA-N 279.383 3.691 30 20 CHED FC(F)(F)c1csc(NN=CC2CCSCC2)n1 853316977 KCJBVLXLPWCKPR-UHFFFAOYSA-N 295.355 3.703 30 20 CHED C=CCCCCCn1cc(NC(=O)OC(C)(C)C)cn1 853737796 NOIDXINCMRBHHK-UHFFFAOYSA-N 279.384 3.977 30 20 CHED C#C[C@H](CC)NC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 754388561 MXSZOPRLJUSLJF-GVDBMIGSSA-N 293.451 3.670 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(F)cccc1NC1CC1 933935314 QTUKWNQXSMIBIA-NSHDSACASA-N 276.355 3.941 30 20 CHED CCCCCCCNC(=O)c1c(F)ccc(OC)c1OC 862356718 HHLUBCCQLWFPBF-UHFFFAOYSA-N 297.370 3.543 30 20 CHED CCn1ccnc1S[C@H](C#N)CCc1ccccc1 865350269 KMVHDRRNRCETEP-AWEZNQCLSA-N 271.389 3.520 30 20 CHED Fc1cccc(C=NNCc2ccc(Cl)cc2)c1 764715573 MQMKXAZRUAKANZ-UHFFFAOYSA-N 262.715 3.603 30 20 CHED C[C@H](c1ccc(Br)cc1)N1CCC[C@H](C#N)C1 932155012 VCSSDBBOWRXPRT-VXGBXAGGSA-N 293.208 3.746 30 20 CHED C#CCCOc1ccc(CNCCCc2cccs2)cc1 769691745 TUEPJTVNPMXBCN-UHFFFAOYSA-N 299.439 3.873 30 20 CHED COc1cc(F)ccc1NN=C[C@@H]1C[C@H]2CC[C@H]1C2 761884875 MKZLLFKKHKJYSB-SRVKXCTJSA-N 262.328 3.668 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(C)cc1O 767009904 DIYIYAWFBDREPV-UHFFFAOYSA-N 276.286 3.815 30 20 CHED Sc1nnc(-c2ccccc2)n1N=C[C@H]1C[C@H]2CC[C@H]1C2 762418675 RHASVNYSWQGMRJ-FPMFFAJLSA-N 298.415 3.504 30 20 CHED Cc1ccc(C#N)cc1NCc1cccc2c1CCC2 1560497559 VRRZZZZXNKNWQA-UHFFFAOYSA-N 262.356 3.968 30 20 CHED C#CCCCN(C)Cc1ccc2cc(OC)ccc2c1 766896302 ZCROKPWCNHPZEK-UHFFFAOYSA-N 267.372 3.694 30 20 CHED Oc1cccc(/C=N\Cc2cccc(Cl)c2F)c1O 1116141154 ZCRCRMIMRXOLNO-IUXPMGMMSA-N 279.698 3.509 30 20 CHED C=CCN(C(=O)c1cccc(-c2ccoc2)c1)C(C)C 760387467 RYULXZKOXQSCMD-UHFFFAOYSA-N 269.344 3.983 30 20 CHED C#CCCCN1CCS[C@H](C)[C@@H]1c1ccccc1 766904899 DTGXAIQFRBALSZ-GDBMZVCRSA-N 259.418 3.578 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc(N2CCCC2)cc1 878220058 XRFXPEFQVXHNFS-UHFFFAOYSA-N 286.419 3.505 30 20 CHED COc1ccc([C@H](C)C=NNc2ccc(C(=O)O)cc2)cc1 768354530 ZMZFEWDQVCFTLQ-GFCCVEGCSA-N 298.342 3.595 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1ccc(C#N)cc1 761489490 ARLTZIZXNWKVBL-GFCCVEGCSA-N 259.349 3.674 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(Nc2ccccc2)CC1 1117744376 GOGPDIRTFJSRDU-UHFFFAOYSA-N 286.419 3.692 30 20 CHED CC(=NNc1cccnn1)c1ccc(C2CCC2)cc1 872352989 PMDIVZXVVBNZED-UHFFFAOYSA-N 266.348 3.580 30 20 CHED C=CCC[C@@H](NC(=O)NOC1CCCC1)c1ccccc1 774762937 JRCITIVXAMIHMD-MRXNPFEDSA-N 288.391 3.867 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc(C)cc1C)OCC 770109704 AXORILIJQLJPOX-MRXNPFEDSA-N 276.376 3.718 30 20 CHED Cc1c(NN=C2CC3(CCC3)C2)cccc1[N+](=O)[O-] 772842583 PXEFJLDNBDSAJP-UHFFFAOYSA-N 259.309 3.635 30 20 CHED C=CCCn1cc(-c2csc(C3CCCC3)n2)nn1 887407760 QWZLJPCRTGRMIH-UHFFFAOYSA-N 274.393 3.635 30 20 CHED CC1CCC(CNC(=O)CC2(C#N)CCCCC2)CC1 1125460943 QRWRVINDESMBAM-UHFFFAOYSA-N 276.424 3.793 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)ccc1F 772958836 LTKGSQKJAKCTPC-CQSZACIVSA-N 298.361 3.887 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1F 776729284 SOFGGHVJBIQLKV-DAXSKMNVSA-N 296.257 3.502 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CC[C@H](C)SC 773761249 GAUIUPMRVZFGML-LBPRGKRZSA-N 294.416 3.861 30 20 CHED C=CCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784482125 UVTSDAPFUPLAEJ-LBPRGKRZSA-N 255.283 3.681 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2nc(C)cc(C)n2)C1 783773439 YETPROGEJAUNRG-KBPBESRZSA-N 260.385 3.708 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)cc1 1129768489 CXWCIVLIIYXTNH-CABCVRRESA-N 270.376 3.503 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1O 787028190 CAYAGENUPOTRDF-SJKOYZFVSA-N 278.355 3.602 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccccc1OC(F)F 782073949 OABCWTSRGMLDLN-UHFFFAOYSA-N 297.301 3.775 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1cc(C)nn1C 788991238 IBLNAKYOLGOPQA-UHFFFAOYSA-N 297.189 3.871 30 20 CHED C#CCCCC(=O)NCC1(c2ccc(C)c(C)c2)CCC1 788778969 KJBWBXLUFRABSX-UHFFFAOYSA-N 283.415 3.645 30 20 CHED Cc1cccc(C)c1NCC(=O)OCCCC(C)(C)C#N 783876878 MBTPIVZZYPPIPA-UHFFFAOYSA-N 288.391 3.589 30 20 CHED O=C1/C(=C\c2cccc(F)c2)COc2c(F)ccc(F)c21 783711437 BHXQHDHUPAWPDH-POHAHGRESA-N 290.240 3.763 30 20 CHED CCC(CSc1ccc(Cl)cc1)=NN[C@@H]1CCOC1 788457223 RHOXVTBWGWOAIE-CYBMUJFWSA-N 298.839 3.577 30 20 CHED C=C1CC(c2noc([C@@H](C)Oc3ccccc3)n2)C1 896890118 HXNVSIZERCPYRH-LLVKDONJSA-N 256.305 3.643 30 20 CHED C=C[C@H]1CCCCN1C[C@@H](O)c1ccc(C(F)(F)F)cc1 785998619 JGROPCDTVLKDTA-LSDHHAIUSA-N 299.336 3.779 30 20 CHED C#CC[C@@H](OC(=O)c1cccc(Cl)c1C)c1ccccn1 786396761 UEFUHHNSVWLBNU-MRXNPFEDSA-N 299.757 3.965 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC[C@@H](C)C[C@@H]2C)o1 783837969 SCFMBDBWESTDDS-MNOVXSKESA-N 274.368 3.894 30 20 CHED N#CC[C@@H](Cc1nc(CCCCF)no1)c1ccccc1 897206194 TXXYIQPSARSWJG-AWEZNQCLSA-N 287.338 3.602 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc3cnccc3c2)c1 782353115 YJZAMZDNBWUIII-HYXAFXHYSA-N 274.323 3.834 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cnc(F)c(C)c1 891652032 BMZHZWIAXOLIJD-UHFFFAOYSA-N 297.377 3.813 30 20 CHED CC1(C)C[C@H](NN=C(CC2CC2)c2ccccc2)CCO1 780246162 DLMYPLQOPCZLNR-MRXNPFEDSA-N 286.419 3.738 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccc(Cl)nc1 782346598 ARRLJAVCJMQOKW-PLNGDYQASA-N 290.775 3.965 30 20 CHED O=C(O)c1csc(/C=C\C(=O)c2ccccc2Cl)c1 782199416 FCPWMLQOIWFBGH-WAYWQWQTSA-N 292.743 3.996 30 20 CHED CC(C)(C)C1CCC(=CC(=O)NCC2(C#N)CC2)CC1 797779479 BDYYNLHQKBQCSR-UHFFFAOYSA-N 274.408 3.569 30 20 CHED C#CCCCNc1cnn(-c2ccccc2)c1C(C)C 790323862 FYQDOSBFYBZQBB-UHFFFAOYSA-N 267.376 3.821 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(C(F)(F)F)n1 799225547 JHSBUYNIDXSUSR-SECBINFHSA-N 287.285 3.577 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(C#N)cs2)oc1C 799897505 PQAVWRBSBHIATM-ONEGZZNKSA-N 257.314 3.726 30 20 CHED CCCCCCCCS(=O)(=O)c1nccn1C(C)C 790167385 DLYVVGHZWCZPAL-UHFFFAOYSA-N 286.441 3.598 30 20 CHED CC(=NNc1cccc(F)n1)c1cccc(OC(F)F)c1 795009534 COIQNTJLAPGOJQ-UHFFFAOYSA-N 295.264 3.658 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)[C@@H]1CCC(F)(F)C1 796371448 AHDPUTBBDGGRNJ-SECBINFHSA-N 299.704 3.690 30 20 CHED CC(C)CCn1cccc1C=NNc1cccc(F)n1 795007160 RUINQYVGFVUFLC-UHFFFAOYSA-N 274.343 3.514 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)cc1C#N 799647677 AHKGQTGIYWOMGV-KBXCAEBGSA-N 290.366 3.700 30 20 CHED CC#CCCOC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798785423 QCDPRHSIJNICPQ-LLVKDONJSA-N 284.277 3.766 30 20 CHED Cc1cccc(F)c1NN=Cc1c(F)ccc(O)c1F 794534284 GRBNRDXMEKADKL-UHFFFAOYSA-N 280.249 3.564 30 20 CHED CC[C@H](C)NN=Cc1ccc(C(F)(F)F)cc1C 790187640 GMXMXZOALWRQGS-JTQLQIEISA-N 258.287 3.736 30 20 CHED COCCCON=Cc1csc(-c2ccc(C)cc2)n1 795041371 DYWSURGZXOWOHD-UHFFFAOYSA-N 290.388 3.506 30 20 CHED CCCCC(COC)=NNc1ncnc(Cl)c1C(C)C 797405242 OQPFOJVVVGQONI-UHFFFAOYSA-N 298.818 3.858 30 20 CHED FC(F)(F)CON=C1CCC[C@@H](c2cccnc2)C1 799883039 NOKKGUUNOBPVFB-SNVBAGLBSA-N 272.270 3.674 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C(C)C)sc2ccc(C#N)cc12 796824267 ZKCUHNGVOZUFAS-CYBMUJFWSA-N 298.367 3.786 30 20 CHED C#C[C@@H](OC(=O)c1ccc(-c2csc(C)n2)cc1)C1CC1 799620458 RLARSAHGHYTRSJ-MRXNPFEDSA-N 297.379 3.687 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1F 794719481 LCTIURCQCCMIBY-HYXAFXHYSA-N 289.281 3.655 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc3c(C)cccn23)oc1C 799895793 DQHKCXGNTSZZDJ-SREVYHEPSA-N 280.327 3.749 30 20 CHED N#Cc1cnc(N2CCCc3ccccc3CC2)c(Cl)c1 1163313101 VWYTWPIUUHKMBH-UHFFFAOYSA-N 297.789 3.602 30 20 CHED C[C@H](CNC(=O)Nc1sccc1C#N)c1ccccc1 1310957190 UGJDKTPOEMBMNM-LLVKDONJSA-N 285.372 3.545 30 20 CHED C=C(C)CN(CC)Cc1csc([C@H](C)OCC)n1 76715586 WQTKYGBEKWZVQN-LBPRGKRZSA-N 268.426 3.639 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCC1CCOCC1 1318820268 VOMOZLBPHZFZIA-UYRXBGFRSA-N 283.371 3.781 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc(Br)c2)C1 185722817 IXNIQLVPGRVQPN-CMPLNLGQSA-N 279.181 3.943 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1c(C)nn(C)c1C 279393195 UKMHJSCYPYGAQW-UHFFFAOYSA-N 283.419 3.615 30 20 CHED CSCCCCCN[C@H](C)c1ccc(OCC#N)cc1 186775176 PSEMAJLMPIAVDY-CQSZACIVSA-N 292.448 3.773 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1csc(C#N)c1 1326473057 PGJLKZGZOAXDLB-JTQLQIEISA-N 264.394 3.564 30 20 CHED CCC(=NNc1ccn(C)n1)C12CC3CC(CC(C3)C1)C2 1324221158 RQIZIGVFYKYZEN-UHFFFAOYSA-N 286.423 3.814 30 20 CHED C=C[C@H](COC)N[C@@H]1CCc2cc(Cl)cc(Cl)c21 1324021861 NERZGXDVECFQFQ-DGCLKSJQSA-N 286.202 3.771 30 20 CHED CCCCCCCCNC(=O)[C@@H](C)n1cccc1 1323192675 VLCUUMWDZIPIFY-CQSZACIVSA-N 250.386 3.526 30 20 CHED N#Cc1cccc(COc2c(F)c(F)cc(F)c2F)c1 193291498 QTKCMQQAGVZSES-UHFFFAOYSA-N 281.208 3.694 30 20 CHED C=C1CCC(C(=O)Nc2cccc(OC)c2C)CC1 1333831853 FRHNUZWUNMRZSV-UHFFFAOYSA-N 259.349 3.689 30 20 CHED Cn1ccc(NN=C2CCC(c3ccccc3)CC2)n1 1255670435 HAKYOGQZGJVKJL-UHFFFAOYSA-N 268.364 3.546 30 20 CHED Cc1ccc(NC(=O)Nc2cc(F)cc(C#N)c2)cc1 720336668 YKLPDEYNKXPAHL-UHFFFAOYSA-N 269.279 3.650 30 20 CHED C=C(C)CCC(=O)Nc1ccc(N2CCCC2)cc1C 1336813736 MJMQLEWEXPFCKS-UHFFFAOYSA-N 272.392 3.890 30 20 CHED C=C(C)CCN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 775639219 OHGDAEQLAOGYQI-SJORKVTESA-N 277.383 3.680 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1cccc(OC)c1 1333018879 HOBGNZFGIWTOPW-MRXNPFEDSA-N 287.403 3.961 30 20 CHED CC(C)(C)C1CCC(=NNCC2CCOCC2)CC1 1339161037 GRQJYWHPAZAFCQ-UHFFFAOYSA-N 266.429 3.595 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1sccc1C#N 1264108154 WTLMTVWFDJDXOJ-LLVKDONJSA-N 270.357 3.670 30 20 CHED C[C@@H]1CC[C@H](c2nnc(-c3cccc(C#N)c3)o2)C1 1261570328 MPSVVUQXSVYVRR-MFKMUULPSA-N 253.305 3.512 30 20 CHED CS[C@@H](C(=O)N(C)c1ccc(C#N)cc1)c1ccccc1 1435249116 UPJYVULRPAAWSA-MRXNPFEDSA-N 296.395 3.625 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1443022934 ZZOYXDCOBPPCGO-MSOLQXFVSA-N 298.430 3.796 30 20 CHED C#C[C@H](CC)NCc1cc(Cl)c(OC)cc1Cl 809686191 ZNMDYCUPLFBVKU-SNVBAGLBSA-N 272.175 3.503 30 20 CHED Cc1cc(C#N)cc(NC(=O)CCc2ccccc2F)c1 1528802789 VGZABJXGMYHDQA-UHFFFAOYSA-N 282.318 3.577 30 20 CHED N#Cc1ccc(F)c(NC(=O)Cc2cccc(C3CC3)c2)c1 1528048173 VZWNESAAVDNFAY-UHFFFAOYSA-N 294.329 3.756 30 20 CHED Cc1cc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)oc1C 1534650784 CNVWAMIOUPCGMV-UHFFFAOYSA-N 288.734 3.698 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)O[C@H]1CCC[C@@H](C#N)C1 1460793439 CTPUFRUNVIKDRF-TUVASFSCSA-N 263.381 3.828 30 20 CHED N#Cc1c(F)cccc1CNC[C@@H]1CCC[C@H]1C1CC1 1462340860 JDLBIIQCGJEOQQ-ZFWWWQNUSA-N 272.367 3.613 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1cc(F)cc(C#N)c1 1476982911 SUXXGGBJAFFGKX-QWHCGFSZSA-N 289.354 3.645 30 20 CHED Cc1nc(C#N)cc(Sc2cc(Cl)ccc2F)n1 1472779716 UWVUYCNADJXSJP-UHFFFAOYSA-N 279.727 3.600 30 20 CHED Cc1c(Cl)cnc(NC[C@H]2C[C@H]3CC[C@H]2C3)c1C#N 1472757861 YCOVCIZMLDJCQD-SDDRHHMPSA-N 275.783 3.763 30 20 CHED Cc1c(C(=O)N2CC3(CCC3)C2)sc2ccc(C#N)cc12 1622599671 NAAKDVKOWHXXQU-UHFFFAOYSA-N 296.395 3.708 30 20 CHED Cc1cc(NC[C@]2(C)CCCc3ccccc32)ncc1C#N 1559156858 NQBJOYNRSXFFBO-IBGZPJMESA-N 291.398 3.968 30 20 CHED CC(C)[C@@H]1C[C@H]1Nc1c(Br)cccc1C#N 1559207933 MLAGMJSZJSJTGQ-CMPLNLGQSA-N 279.181 3.777 30 20 CHED N#Cc1cc(N2CC3(CCC3)c3c(F)cccc32)ccn1 1639394450 WAYCVJZURXOTLD-UHFFFAOYSA-N 279.318 3.666 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 1564828138 WAYVIOABJCJBSY-LSDHHAIUSA-N 292.810 3.622 30 20 CHED N#Cc1ccc(CNCc2ccncc2Cl)cc1Cl 1560452339 XLJBZSZXXIJVOE-UHFFFAOYSA-N 292.169 3.550 30 20 CHED N#Cc1cncnc1Sc1c(Cl)cccc1Cl 1641953879 ACCYAAJGUMQWDT-UHFFFAOYSA-N 282.155 3.806 30 20 CHED N#Cc1ccc2c(c1)CCCN2C/C(Cl)=C\Cl 1645901198 RMIMAGVXMZPQJL-KPKJPENVSA-N 267.159 3.630 30 20 CHED COc1ccc([C@H](C)Sc2cccc(C#N)n2)cc1 1655036369 VWGZYJPEUKCSPE-NSHDSACASA-N 270.357 3.815 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1CCc1ccc(C#N)cc1 1657320395 CTPVUBHVFDWZIP-OXJNMPFZSA-N 290.410 3.979 30 20 CHED CN(c1cccc(C#N)n1)[C@H]1CCC[C@H]1C(C)(C)C 1651158732 YPLMSAAENUFSOE-KGLIPLIRSA-N 257.381 3.604 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)cs1 1587267085 SWRMXAUIZBCZQQ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCN(CCC#N)[C@H]1C[C@H](C)Sc2sccc21 1658721961 UQAPTKDXUQELOF-JQWIXIFHSA-N 266.435 3.909 30 20 CHED CCC[C@H](CN1CCC[C@H]1[C@H](C#N)c1ccccc1)OC 1658294037 PKCNJKCPUZSEKB-KURKYZTESA-N 286.419 3.573 30 20 CHED C[C@H](Sc1ccc(C#N)cc1)c1ccc(C(=O)O)o1 1593664081 FZFMATQEDWWFDM-VIFPVBQESA-N 273.313 3.703 30 20 CHED CC(Cc1cccs1)=NNc1ccc(C(=O)O)c(F)c1 1776074122 JMIPSPMQHCNNRP-UHFFFAOYSA-N 292.335 3.616 30 20 CHED C=Cc1ccc(/C=C/C(=O)c2cc(C(=O)O)ccc2O)cc1 1776194434 GZLHQBLPEPIGKL-VQHVLOKHSA-N 294.306 3.630 30 20 CHED CC1(C)CCC[C@H](C=NNc2cccc(C(=O)O)c2)C1 1776037016 HDWCUMVORWMOFC-LBPRGKRZSA-N 274.364 3.999 30 20 CHED CC1(C)CC(=NNc2cccc(C(=O)O)c2)CC1(C)C 1776038691 YQNAZHWWTBOISR-UHFFFAOYSA-N 274.364 3.999 30 20 CHED C[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl 162590970 AQTCXEMMPQVJCS-XHDPSFHLSA-N 262.784 3.880 30 20 CHED Cc1nc2ccc(NCC(C)(C)CCC#N)cc2o1 158980216 PWTWNKTWCBQZIQ-UHFFFAOYSA-N 257.337 3.878 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)[C@H]1COc2ccccc21 166332244 VFCVKKKOSISSPO-BLLLJJGKSA-N 264.328 3.535 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(OC(C)(C)C)CC1 151866609 BKXAEGRTVDSOHC-UHFFFAOYSA-N 279.424 3.561 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)[C@H](C)CCC)CC1 153009067 GPMCKBFYZTWABR-NVXWUHKLSA-N 266.473 3.831 30 20 CHED Cc1ccc(C(C)C)cc1OC[C@H](C#N)CCC#N 153042407 ZHXOWUNCXMLOMT-AWEZNQCLSA-N 256.349 3.941 30 20 CHED C=CCCCN(CC)Cc1cccc(C(=O)O)c1Cl 903960938 IOEQPDPKTWMCMV-UHFFFAOYSA-N 281.783 3.826 30 20 CHED N#Cc1ccc(-c2nc(-c3cccc(Cl)c3)no2)s1 226760394 FPKAUZQLZXRXDH-UHFFFAOYSA-N 287.731 3.990 30 20 CHED C[C@@H]1CC[C@@H](CNC2CC(C#N)(c3ccccc3)C2)C1 230410356 IJUBDWDBBKCFBP-RCDYEMGKSA-N 268.404 3.636 30 20 CHED C=CCC[C@@H](C)Nc1ccc(Cn2cccn2)cc1 130687756 AFVYPQLLQVGXCO-CQSZACIVSA-N 255.365 3.698 30 20 CHED C[C@@H]1C[C@@H](NCC(C)(C)CCC#N)CN1Cc1ccccc1 151309347 RWZLROODOFZRDY-SJLPKXTDSA-N 299.462 3.569 30 20 CHED COc1ccc([C@@H](C)Nc2cccc(C#N)c2)c(F)c1 37203207 JSIDLJWSGCPHCG-LLVKDONJSA-N 270.307 3.879 30 20 CHED CC[C@H](NCc1cccc(C#N)c1)c1ccccc1F 168753880 ZOZYRYABYTXLNY-KRWDZBQOSA-N 268.335 3.938 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2C2CCCC2)c(F)c1 45088951 DMKCWPIEWZLWHA-OAHLLOKOSA-N 258.340 3.856 30 20 CHED CCC1CCC(N(C)C(=O)C2(C#N)CCCCC2)CC1 44385841 WXXDWOXIJABJBJ-UHFFFAOYSA-N 276.424 3.888 30 20 CHED CN(CCCc1ccccc1)Cc1cccc(C#N)c1 46518403 NYCUNLGNANGTFI-UHFFFAOYSA-N 264.372 3.623 30 20 CHED CCC1(CC)CCN(c2nc(C)ccc2C#N)CC1 62959414 RBCYENQTBUGQJR-UHFFFAOYSA-N 257.381 3.668 30 20 CHED C[C@H](CNc1ccc(C#N)cc1F)N(C)Cc1ccccc1 301285711 VFUFEZXJZYDTMN-CQSZACIVSA-N 297.377 3.630 30 20 CHED Cc1cccc(NCc2ccc(C#N)c(F)c2)c1C 190311628 IZLXECDVPFRPEL-UHFFFAOYSA-N 254.308 3.926 30 20 CHED Cc1cc(C#N)cc(N[C@@H](C)Cc2ccc(O)cc2)c1 308158843 VZNPGPXBYNZJGR-ZDUSSCGKSA-N 266.344 3.615 30 20 CHED CCO[C@H]1C[C@H](Nc2cccc(CC#N)c2)C12CCC2 313437659 NTLJDQZLQKEHNO-HOTGVXAUSA-N 270.376 3.512 30 20 CHED C=CCC[C@@H](CO)N[C@@H]1C[C@H](C)Sc2sccc21 320804724 WGIIJAFHATZGJK-GMXVVIOVSA-N 283.462 3.590 30 20 CHED N#CCOc1ccc(NCc2cccc(O)c2Cl)cc1 328362133 PAWATTBZXITRKL-UHFFFAOYSA-N 288.734 3.560 30 20 CHED Cc1nsc(NC[C@H]2CCC3(CCCCC3)O2)c1C#N 329222301 WEZRURWULYXWMS-GFCCVEGCSA-N 291.420 3.617 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc(C(F)(F)F)s1 426571006 QXWGMOCLBKPHQE-VIFPVBQESA-N 276.327 3.702 30 20 CHED C=CCOCCCSc1ccc(N)cc1Cl 336672845 OERLDTLOCIFFTJ-UHFFFAOYSA-N 257.786 3.607 30 20 CHED Cc1nc(N(C)Cc2cccc(F)c2)c(Cl)cc1C#N 336832633 MEXGKMZHAQSWFV-UHFFFAOYSA-N 289.741 3.691 30 20 CHED c1ccc(CNN=C2CCSc3ccccc32)cc1 916344738 ZRJPFEIVHPGLNN-UHFFFAOYSA-N 268.385 3.676 30 20 CHED O=C1/C(=C/c2cccnc2)CSc2ccc(F)cc21 7586502 MSVCHUUHBXBVPH-IZZDOVSWSA-N 271.316 3.593 30 20 CHED C[C@H](C#N)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 19623705 FZNJRJPLUBPPNB-RHSMWYFYSA-N 289.382 3.801 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2cc(C#N)ccc2F)C1 42373856 KXMMZFFPPOFBFM-IUODEOHRSA-N 260.356 3.708 30 20 CHED Cc1ccc(CNC(=O)/C=C/c2ccccc2C#N)c(C)c1 45400993 XXSBXQUGPHTDKK-MDZDMXLPSA-N 290.366 3.505 30 20 CHED Cc1c(C(=O)N(C)C[C@H](C)C#N)oc2ccc(Cl)cc12 48578719 ZPYHHEVDPJSDOJ-SECBINFHSA-N 290.750 3.626 30 20 CHED Cc1cc(C(=O)Nc2cccc(OCC#N)c2)c(C)s1 48825015 ZOHHYGBSCXSVFP-UHFFFAOYSA-N 286.356 3.520 30 20 CHED CCc1ccc(CNc2ccc(Cl)c(C#N)c2)o1 51722912 MLTNGCPPYLDLHW-UHFFFAOYSA-N 260.724 3.979 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@@H]1C 66415048 MUHGQBDEVCIPRQ-WMLDXEAASA-N 284.403 3.793 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(O[C@@H](C)CC)c1 69359439 MBKHFUKYNGRIFC-UONOGXRCSA-N 291.391 3.784 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1cccc(C#N)c1 73629852 LYKZZWOMVPEJAT-WMLDXEAASA-N 299.418 3.668 30 20 CHED N#Cc1ccccc1CNc1ccccc1OCC1CC1 77246898 GWLKVJJRRQROSY-UHFFFAOYSA-N 278.355 3.959 30 20 CHED Cc1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1F 78454743 YFYROKAKYSCQTO-UHFFFAOYSA-N 291.370 3.928 30 20 CHED CC(C)(C)[C@H]1CCCN(c2cc(C#N)ccn2)CC1 79343749 LOVYKZCQVHCUNL-AWEZNQCLSA-N 257.381 3.606 30 20 CHED C[C@@H](OC(=O)c1cc(C#N)cs1)c1cc(F)ccc1F 83939638 XFIQOVFZYIDXTE-MRVPVSSYSA-N 293.294 3.816 30 20 CHED COCc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 88567399 GVMFHVARFPCCGU-AWEZNQCLSA-N 280.371 3.555 30 20 CHED C[C@H]1CCC[C@H](CNc2cccc(OCC#N)c2)C1 89607004 QEOQFEIUEAGNJQ-KBPBESRZSA-N 258.365 3.827 30 20 CHED CCCOC(=O)c1ccc(NCc2cccc(C#N)c2)cc1 96970447 JDOUKVJQFULNAR-UHFFFAOYSA-N 294.354 3.737 30 20 CHED C=CCOc1cccc(CN[C@H](C)c2cccc(O)c2)c1 105461679 IUUSHTGCEXWMHE-CQSZACIVSA-N 283.371 3.808 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H](C)C1 113398202 XZYVHQCHSCVIHM-CPUCHLNUSA-N 299.418 3.524 30 20 CHED C=CCCS(=O)(=O)N(CCCC)[C@H](C)c1ccccc1 120011937 BSNCUIHIUPJFPM-OAHLLOKOSA-N 295.448 3.756 30 20 CHED C#CCCCCC(=O)N(CC(C)C)CC(C)(C)C 120282215 VZMQVNQNCSLCHV-UHFFFAOYSA-N 251.414 3.711 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1c[nH]c2ccccc12 120754293 MFYFKHPBVNSWOH-JXMROGBWSA-N 263.296 3.770 30 20 CHED C=CCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 121244434 SACONFCFCGMCNZ-LSDHHAIUSA-N 296.414 3.523 30 20 CHED C=C(Cl)C[S@](=O)[C@H](C)c1ccc(F)c(F)c1 131511896 WHWJAYFANDKLJJ-VPTHRUTESA-N 264.724 3.527 30 20 CHED COCc1ccc([C@@H]2CCCN2CC(C)(C)CCC#N)o1 137084169 RNLYJXCADNQMFD-HNNXBMFYSA-N 290.407 3.893 30 20 CHED CCC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)C(C)C 153125076 RAVLCQFZOBKGJL-ZIAGYGMSSA-N 297.402 3.822 30 20 CHED CC#CCCN(C)[C@H](C)c1sc(C(C)C)nc1C 157151627 HUCYPOYSKSJACG-CYBMUJFWSA-N 264.438 3.981 30 20 CHED CC(C)(C)CCC(=O)N[C@@](C)(C#N)CCc1ccccc1 159630831 KFFQPBCEFFQGFE-GOSISDBHSA-N 286.419 3.844 30 20 CHED N#Cc1ccc(N2CC=C(C(F)(F)F)CC2)cc1Cl 160254183 AATVBOFNYXEUIL-UHFFFAOYSA-N 286.684 3.910 30 20 CHED N#C[C@H](Sc1ccc([N+](=O)[O-])cn1)C1CCCCC1 160288306 QIYJRETWKRIPSO-LBPRGKRZSA-N 277.349 3.554 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 161432168 VPEFHNAKXRWWLT-GFCCVEGCSA-N 296.823 3.704 30 20 CHED N#CC1(C(=O)N2CCc3c(Cl)cccc32)CCCCC1 161483356 UCBUNTZHZXNPGH-UHFFFAOYSA-N 288.778 3.703 30 20 CHED CO[C@H](C)c1nc(CSCCCCC#N)cs1 161909021 BHUDMFPWOXIBSN-SNVBAGLBSA-N 270.423 3.778 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CC(C)C 163226968 FDXMWRGETGRTJF-ZDUSSCGKSA-N 280.437 3.880 30 20 CHED CN(Cc1ccco1)c1ccc(C(F)(F)F)c(C#N)c1 164412802 UITJWVKSZJHVSX-UHFFFAOYSA-N 280.249 3.806 30 20 CHED N#Cc1c(Br)cccc1NCc1ccco1 164977673 QTKAOGXRBPEEQV-UHFFFAOYSA-N 277.121 3.526 30 20 CHED CCC[C@H](C)CC(=O)Nc1ncccc1OCCCC#N 171057227 ZNGHWPISHHEVBD-ZDUSSCGKSA-N 289.379 3.529 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccnc2C)cc1[N+](=O)[O-] 171417664 PZINIFIXDQCIPX-BQYQJAHWSA-N 282.299 3.503 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 172320914 BLKCJVHXYYRIBB-SECBINFHSA-N 290.344 3.504 30 20 CHED CC(C)(C)c1nc(CSc2ccccc2C#N)no1 172680543 GRMUXBGOSHKWLX-UHFFFAOYSA-N 273.361 3.531 30 20 CHED CCc1ccc(-c2ccc(C(=O)NCCCCC#N)o2)cc1 173068863 HYOSQRSCUFGUFI-UHFFFAOYSA-N 296.370 3.933 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 175158651 SVTFDRFTIDQVAQ-QUCCMNQESA-N 287.362 3.511 30 20 CHED C[C@H](OC(=O)c1cc(C#N)cs1)c1ccc(F)c(F)c1 175852555 RIOFKCDEUQBNTO-QMMMGPOBSA-N 293.294 3.816 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)c1cc(C#N)cs1 176963705 LIYHKXWIXYWRCO-ZDUSSCGKSA-N 276.405 3.661 30 20 CHED N#CCC[C@@H](NC(=O)NC(C1CC1)C1CC1)c1ccccc1 178765930 LHGWRFSVEUFGDS-MRXNPFEDSA-N 297.402 3.519 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CCC)c1ccccc1 180399391 MUFWHOSGXNNKTP-OAHLLOKOSA-N 260.381 3.745 30 20 CHED Cc1ccsc1[C@H](C)NCc1ccc(OCC#N)cc1 180557748 QCJURSCDXVQJGE-ZDUSSCGKSA-N 286.400 3.810 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1C1CCCCC1 185221181 HNLSXNDFSXTFDM-MRXNPFEDSA-N 261.409 3.751 30 20 CHED CC#CCCCC(=O)NCCc1c[nH]c2c(CC)cccc12 185526920 FKFDCFJVRXYGGK-UHFFFAOYSA-N 296.414 3.583 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(CC(F)(F)F)cc1 185658796 OMRIVRKVXYNEEU-UHFFFAOYSA-N 283.293 3.779 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccc(Br)cc2)C1 185799816 LOBDTWMQQPJCTK-TZMCWYRMSA-N 293.208 3.621 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccnn2Cc2ccccc2F)C1 185887130 HBMBJCXZPZMGJZ-DZGCQCFKSA-N 298.365 3.565 30 20 CHED Cc1cc(C#N)ccc1CSCc1ccc(CO)cc1 186086022 RUIUCCPSAXQLBO-UHFFFAOYSA-N 283.396 3.792 30 20 CHED CSCc1ccccc1NC(=O)c1cccc(CC#N)c1 186139482 XCSYOUBCDVJBBV-UHFFFAOYSA-N 296.395 3.868 30 20 CHED C=CCC[C@@H](C(=O)Nc1ccccn1)c1ccccc1 187769606 DOGOYUWDEWBXKT-OAHLLOKOSA-N 266.344 3.770 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C#N)c1ccccc1Cl 188048657 VSTLAEIMPFYNTA-DZGCQCFKSA-N 276.767 3.623 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](CC)CSC)c1ccccc1 188973133 IGGUEOWZIBRSMP-LSDHHAIUSA-N 277.433 3.604 30 20 CHED C=CCCC(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 189158241 WFWDIXLORSSHHW-LLVKDONJSA-N 285.309 3.891 30 20 CHED CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCc2ccccc21 191930696 LIAXPCLYWXCOFO-GOSISDBHSA-N 280.346 3.817 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(N2CCCC2)cc1C 192697568 RAUJMTILENDICG-UHFFFAOYSA-N 299.418 3.801 30 20 CHED C=C(C)[C@@H](NC[C@H]1CCC=CO1)c1ccc(F)c(F)c1 194718335 LYFXWFTXFPINHR-CZUORRHYSA-N 279.330 3.864 30 20 CHED C=CCSCCN[C@H]1CCCc2c(OC)cccc21 194920823 IZFMHCNSJPBFPY-HNNXBMFYSA-N 277.433 3.581 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(O)c(OC)c2)c1 207700055 FCKRFYUOBMBGRN-CLFYSBASSA-N 298.338 3.696 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2cccnc2)cc1 210332462 MBDSRRSXEMZJLI-YFHOEESVSA-N 267.328 3.765 30 20 CHED N#Cc1cc(NC[C@H]2CCSC2)ccc1C(F)(F)F 226388776 SFSQGTZVTYUESA-SECBINFHSA-N 286.322 3.742 30 20 CHED Cc1ccc(C=NNc2ccc3ccccc3n2)o1 252613943 JFHKFWQDHDEOON-UHFFFAOYSA-N 251.289 3.582 30 20 CHED CC[C@H](C#N)OC(=O)/C=C\c1cccc(OC2CCCC2)c1 255126709 KOZWPTHHHNSCBX-JQPIKURYSA-N 299.370 3.867 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)s1 255319616 RLXYNZKOKRIBET-PLNGDYQASA-N 274.732 3.564 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCc1nc2ccccc2[nH]1 255555530 AYVMGRLHZXTJQD-ZDLGFXPLSA-N 299.761 3.584 30 20 CHED N#CCC[C@@H](NC(=O)/C=C\c1cccs1)c1ccccc1 255756866 UZZXQQRKXDSZME-BLIJAFNYSA-N 296.395 3.923 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C\c2ccnn2C)cc1 255914559 JRLBVHRILFGSBP-HJWRWDBZSA-N 268.360 3.515 30 20 CHED CN(CC1(C#N)CCC1)c1cccc2ccccc12 258908952 LXHDGJAJYJIPGP-UHFFFAOYSA-N 250.345 3.970 30 20 CHED COc1cc(C#N)ccc1CN1CCCc2ccccc21 260879865 ZSGLZUHRYIRLKC-UHFFFAOYSA-N 278.355 3.520 30 20 CHED N#CC1(c2nc(-c3cccc(F)c3)no2)CCCCC1 267134567 WNOLPSXQVBMPGD-UHFFFAOYSA-N 271.295 3.601 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H](C)C1CC1)c1ccccc1 270305892 XTEHLEVMSJLCRR-ZIAGYGMSSA-N 257.377 3.603 30 20 CHED Cc1ccc(N(C(=O)CC(C)(C)C#N)C(C)C)cc1 278262200 NZRSSYYPCIIUNS-UHFFFAOYSA-N 258.365 3.676 30 20 CHED Cc1cccc(NC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 278636590 OQCGROQJVMKHDO-MAUKXSAKSA-N 283.419 3.564 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)c1cn(C)c2ccccc12 280987306 BWYMOLSRNADWEY-KBPBESRZSA-N 284.403 3.753 30 20 CHED CCn1ccnc1[C@H]1CCCCN1Cc1ccccc1C#N 281167213 QGVVIBMWHWGEHY-QGZVFWFLSA-N 294.402 3.502 30 20 CHED CC(C)Cc1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 285132286 QDCFOZJIDHQYHW-UHFFFAOYSA-N 287.338 3.605 30 20 CHED COCCCOc1ccc(CNc2ccc(C#N)cc2)cc1 286357056 DEHAGAXFGJJMOU-UHFFFAOYSA-N 296.370 3.586 30 20 CHED C=CCCCCCCNCc1c[nH]nc1-c1cccnc1 290167752 QRDPLOLULRBUFL-UHFFFAOYSA-N 284.407 3.698 30 20 CHED COc1ccccc1[C@@H](CC(C)C)NC(=O)CCCC#N 292224121 TULOOOPQARVGSN-OAHLLOKOSA-N 288.391 3.592 30 20 CHED C=CCn1c(C)nnc1S[C@@H](C)c1ccccc1F 298696065 ZYFJHRXMKFSBKG-JTQLQIEISA-N 277.368 3.765 30 20 CHED COc1cccc([C@H]2CCCN2c2ccc(C#N)cc2)c1 301077922 LEBROKJYUSAKBU-GOSISDBHSA-N 278.355 3.908 30 20 CHED N#Cc1cnc2ccccc2c1NC[C@H]1Cc2ccccc21 301081223 ISQROEXIJGYFMU-CQSZACIVSA-N 285.350 3.858 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 301416331 AZQGGNSQWSWJBL-PXAZEXFGSA-N 293.326 3.664 30 20 CHED CCN(CCC#N)c1cc(C(C)(C)C)nc(C(C)(C)C)n1 301741903 FFGSFPQIGATIOL-UHFFFAOYSA-N 288.439 3.812 30 20 CHED COc1cccc([C@H]2CCCN2c2ccc(C)c(C#N)n2)c1 302616561 DECZFDMDGPWIAH-QGZVFWFLSA-N 293.370 3.612 30 20 CHED CC[C@]1(C)CN(c2cc(C#N)ccc2C(F)(F)F)CCO1 302687387 UIBNNZFPOWRYLI-CQSZACIVSA-N 298.308 3.582 30 20 CHED C[C@@H]1CN(c2c(C#N)cccc2C#N)c2ccccc21 302861376 VFORJKISPWBTTG-GFCCVEGCSA-N 259.312 3.685 30 20 CHED CCCC1(C/N=C(/N)Nc2cc(C)cc(C)c2)CC1 305101010 XVPSEMFFDYQIHC-UHFFFAOYSA-N 259.397 3.610 30 20 CHED C=CCC(C)(C)CNCc1c(O)cccc1Cl 310545575 DNIDNARJUBQUOM-UHFFFAOYSA-N 253.773 3.738 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(OC)c(OC)c1 312564942 QLZNHWTWKREBPI-ZDUSSCGKSA-N 277.408 3.957 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2nc3ccsc3s2)CCC1=O 329002845 WMELAFQTBMNUTJ-YUMQZZPRSA-N 294.401 3.951 30 20 CHED O/C(=N/[C@@H]1CC[C@H](F)C1)Nc1nc(C2CCC2)cs1 329229104 CJEPKPJBYLYENJ-VHSXEESVSA-N 283.372 3.627 30 20 CHED C[C@H](C/N=C(/O)[C@@H]1CC(O)=N[C@@H](C)C1)Cc1cccs1 329659090 HMQBYKOHBNZSIX-SRVKXCTJSA-N 294.420 3.638 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/[C@@H]2CCC[C@H]2C)s1 330372724 APSNPDATJRQPMI-GMTAPVOTSA-N 282.409 3.734 30 20 CHED COc1ccc(Cl)c(N=C(O)NC2(C)CCCC2)c1 330569473 DPJOUNCHFFNKLQ-UHFFFAOYSA-N 282.771 3.816 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(O)=Nc1ccc(C)c([N+](=O)[O-])c1 330632704 REPYGWUSBJSQHO-WCQYABFASA-N 291.351 3.712 30 20 CHED Cc1cc([C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c(C)o1 336244645 VFYOUBJSGFZAHL-YVEFUNNKSA-N 286.375 3.548 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H]2CCCC[C@H]21 337775898 XSAYFJNSIUZPGG-RHSMWYFYSA-N 282.387 3.662 30 20 CHED C=CC[C@H]1N(Cc2ccc(OC)cn2)CCCC1(C)C 338380407 XVXSRNMDTSSWKY-MRXNPFEDSA-N 274.408 3.657 30 20 CHED N#Cc1ccn(Cc2c(Cl)ccc3cccnc23)c1 339195521 MWMDNNANNUTMOM-UHFFFAOYSA-N 267.719 3.610 30 20 CHED C[C@]1(CNCc2cc(C#N)cs2)C[C@H]1c1ccccc1 339445948 ALMBMOQCWAETSI-DLBZAZTESA-N 282.412 3.903 30 20 CHED CC(C)(C)OC(=O)CCCNc1c(Cl)cccc1C#N 342017537 KJAAEZUKPYMCSM-UHFFFAOYSA-N 294.782 3.745 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc2ncccc12 342623853 MEGNQLHEYWPHFX-UHFFFAOYSA-N 298.386 3.936 30 20 CHED Cc1nc(C(C)(C)NCc2ccc(CC#N)cc2)sc1C 342746116 FOAHECATSGGVJB-UHFFFAOYSA-N 299.443 3.851 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1nccc(C)c1C#N 343477253 NUGDOPWNYPJQPT-UHFFFAOYSA-N 290.370 3.550 30 20 CHED N#Cc1ccc(CNCc2csc3ccccc23)o1 343586355 ZJCAPUZGGIFJKQ-UHFFFAOYSA-N 268.341 3.656 30 20 CHED C=C(C)CCc1noc(-c2cc(F)ccc2-n2cccn2)n1 347238285 HILZVFHFVULSIX-UHFFFAOYSA-N 298.321 3.570 30 20 CHED N#C[C@H]1CC[C@@H](NCc2csc(-c3ccccc3)n2)C1 349789976 MQFOGGVKGYGRMB-GXTWGEPZSA-N 283.400 3.592 30 20 CHED CCCN(CC)C[C@@H](C)N[C@H](CC)c1ccc(C#N)cc1 353481923 LDWHVRWTRMSEOE-CRAIPNDOSA-N 287.451 3.719 30 20 CHED C=CCC[C@H](NCc1cnn2ccccc12)c1ccco1 353864404 ITFNOHLJJIAMAG-HNNXBMFYSA-N 281.359 3.724 30 20 CHED CO[C@]1(C)CCCN(Cc2ccc(C#N)cc2Cl)CC1 361410905 SLMLCPSYHUSMDR-MRXNPFEDSA-N 292.810 3.603 30 20 CHED CO[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 364880359 KVLCFACBEZUDJC-CYBMUJFWSA-N 298.308 3.582 30 20 CHED CSC[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 386583617 HXSQOHGPSYGZGO-NSHDSACASA-N 280.824 3.791 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC(F)F)cc1 393795087 OMKOFOWCFOKUHD-LBPRGKRZSA-N 255.308 3.732 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(-c2ccccc2)ns1 410123394 GCWZIAIIOSGXNH-ZDUSSCGKSA-N 286.400 3.895 30 20 CHED C[C@H]1CC[C@H](C)N(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 410535554 TVRCKQLHRIEWJA-GJZGRUSLSA-N 298.430 3.774 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 410702463 FQEUHMOUSSHCGN-ZACQAIPSSA-N 284.403 3.625 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccsc1 412845094 VCINZYGBLWRPBB-KRWDZBQOSA-N 299.439 3.984 30 20 CHED Cc1ccccc1[C@H](Nc1ncc(C#N)cc1F)C1CC1 413135289 JRYKEXWNLFQPHC-MRXNPFEDSA-N 281.334 3.964 30 20 CHED C=CCC[C@H](C)N[C@@H]1CC(C)(C)Oc2ccc(N)cc21 415034024 KPTNIANVVYENEJ-SWLSCSKDSA-N 274.408 3.815 30 20 CHED Cc1cc(NC(=O)C[C@H]2CCC[C@H]2C)c(C#N)cc1N(C)C 415687743 FVDVEYLLPKFSTD-TZMCWYRMSA-N 299.418 3.698 30 20 CHED CCCC[C@@H](C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416091843 AVNMJSAVJSLZIV-DYVFJYSZSA-N 284.403 3.878 30 20 CHED C[C@@H](CCc1ccccc1F)NCc1ccc(C#N)s1 421354663 XHCWHHSNWJCXBX-LBPRGKRZSA-N 288.391 3.870 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCCOc3c(Cl)cccc32)C1 424320051 FMHMXJIUINVDAF-ZOWXZIJZSA-N 290.794 3.836 30 20 CHED COc1ccc(F)cc1CN(C)[C@H](C)c1cccc(C#N)c1 425365311 KCRMUWCISUZJTH-CYBMUJFWSA-N 298.361 3.899 30 20 CHED CCCOc1ccc(-c2noc(-c3ccc(C#N)o3)n2)cc1 426392120 VPZRABFNDLQVGA-UHFFFAOYSA-N 295.298 3.657 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@H]1C(C)C)c1ccccc1 428016404 IKELMBAQFWTCQQ-JKSUJKDBSA-N 257.377 3.603 30 20 CHED Cc1nsc(N2CCC[C@@H](c3ccccc3)C2)c1C#N 431504420 FLQFDEASIYMDME-CQSZACIVSA-N 283.400 3.707 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCCC[C@@H]1C 431722866 AZSVYNYUYQETCH-SWLSCSKDSA-N 285.391 3.815 30 20 CHED Cc1ccccc1NC(=O)[C@@H](C#N)CCc1ccccc1 433105923 PVOUAHDAJWRHJL-MRXNPFEDSA-N 278.355 3.706 30 20 CHED CN(CC1CCCCC1)C(=O)C1(c2cccc(C#N)c2)CC1 435012080 FZYUSUIQNQUDHV-UHFFFAOYSA-N 296.414 3.629 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](C)CCC1CCCCC1 435452151 GVPYADGABLTUPZ-GFCCVEGCSA-N 288.391 3.939 30 20 CHED CCc1ccc(C(C)(C)NC(=O)c2cc(C#N)oc2C)cc1 436168483 XZLLLSNXLQNERM-UHFFFAOYSA-N 296.370 3.687 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CCC)CCCC 437796968 IHWXETHVSFNSTO-OAGGEKHMSA-N 296.455 3.626 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(c3ccccc3Cl)CC2)C1 442846467 OJBXTNRZZCMULX-OLZOCXBDSA-N 274.795 3.653 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 444028633 WTLMSQUUJVPVOE-UONOGXRCSA-N 266.429 3.809 30 20 CHED C=CCCCCCSc1ccc([N+](=O)[O-])cn1 447287768 PETNBRLCSLEKGG-UHFFFAOYSA-N 252.339 3.828 30 20 CHED C=CCC1(C(=O)N(C)C[C@H]2CCCCO2)CCCCC1 448768661 RDYJWZZWLUAITM-OAHLLOKOSA-N 279.424 3.541 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N(CCC#N)CCC(C)C 448908283 FCRMISCOYWKMDN-GFCCVEGCSA-N 292.345 3.753 30 20 CHED C=CCC1(CNCc2ccn(C(F)F)n2)CCCC1 449606273 QHEFJOSBZHTVOV-UHFFFAOYSA-N 269.339 3.504 30 20 CHED C=CCC[C@H](CO)NCc1ccc(-c2ccccc2F)o1 449694060 AMJRIBKUJXXQEF-CYBMUJFWSA-N 289.350 3.502 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nnc(CCc3ccccc3)o2)C1 450855004 FHRZOVZOIPIKMZ-UONOGXRCSA-N 299.399 3.639 30 20 CHED C=CCC1(C(=O)N2Cc3ccc(C)cc3C2)CCCC1 451384938 QRVBWSGZQVOMGP-UHFFFAOYSA-N 269.388 3.974 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 452780434 XPYVOPYQUIDSDT-UONOGXRCSA-N 277.795 3.772 30 20 CHED C=C(CC)CNC(=O)CSCc1cccc(Cl)c1 453020417 PYFXKUOWMBTUIZ-UHFFFAOYSA-N 283.824 3.656 30 20 CHED C=CCC1(c2nc(-c3ncc(C)cn3)no2)CCCCC1 453148484 ZBBLCFPOWJUEKE-UHFFFAOYSA-N 284.363 3.613 30 20 CHED C=C[C@@H](C)NC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 454658881 FKSYYOIVQGGEHJ-GDBMZVCRSA-N 284.403 3.888 30 20 CHED CC#CCN(C)C(=O)Nc1cccnc1-c1ccc(C)s1 455231359 RCKXONBVBWEMLA-UHFFFAOYSA-N 299.399 3.606 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 455308712 BFSVDSMYTZHWQP-INIZCTEOSA-N 290.407 3.754 30 20 CHED CC[C@@]1(C(C)C)C[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 455609955 DNMZIFZTQMLVAQ-AEFFLSMTSA-N 299.418 3.524 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(CSCC)cc1 456469804 JBMXUABNWPBHCQ-CYBMUJFWSA-N 293.432 3.859 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NC(=O)N(C)CC(C)(C)C#N 458586680 MWISVUHGXABZJL-BBRMVZONSA-N 299.418 3.501 30 20 CHED CC(C)(CC#N)CN[C@H]1CSCCc2ccccc21 459737782 WQSDIFXXMZJJFE-HNNXBMFYSA-N 274.433 3.546 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N(C)C1CCC(C(C)(C)C)CC1 459973322 LXRUNKSHJJCVJH-VBRUCIBASA-N 276.424 3.599 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462548867 VDMRTCGHHCAERH-RHSMWYFYSA-N 284.403 3.556 30 20 CHED C[C@@H](CCc1ccccc1F)C(=O)Nc1cccc(C#N)c1 463241919 ISVDCANAGWYCJM-ZDUSSCGKSA-N 296.345 3.905 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)C[C@@H](C)c1ccccc1 466366167 DEDLYHMMMJUHOQ-GDBMZVCRSA-N 274.408 3.786 30 20 CHED CC(C)CCC[C@H](C)NCCc1cccc(C#N)c1 467454093 OLNQCOOQIDHRQY-HNNXBMFYSA-N 258.409 3.905 30 20 CHED CC(C)(C)[C@H]1CCCN1Cc1cc(F)ccc1C#N 469213569 LMBRQJYLRSNFIE-OAHLLOKOSA-N 260.356 3.708 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 469548942 FGEYZEJTIDXSFL-UHFFFAOYSA-N 286.375 3.794 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC12CCCC2 474401180 DEIKGIAQUZCNPW-QGZVFWFLSA-N 294.398 3.653 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(-n2cc(C)nc2O)c1 475513227 JNYLOFIXCGQHRB-TZMCWYRMSA-N 285.391 3.899 30 20 CHED COc1cc(NCc2ccc(OC)c(C#N)c2)c(C)cc1C 475667070 FXNCWKUIPZIBTE-UHFFFAOYSA-N 296.370 3.804 30 20 CHED C=C(C)[C@@H](NCC1CCC1)c1ccc(F)c(F)c1 481613015 SVHQZDBYNAVWSF-OAHLLOKOSA-N 251.320 3.972 30 20 CHED CC1=C(C)CN(Cc2ccc(C#N)cc2OC(F)F)CC1 483346550 VIKVOMRMDJKQOG-UHFFFAOYSA-N 292.329 3.702 30 20 CHED C=CCCCC(=O)Nc1c(Cl)ccc2c1CCO2 484591596 DURFFZVZUVEUGR-UHFFFAOYSA-N 265.740 3.570 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)SCc1ccccc1 488846403 TTYSOQJTAMGIQH-GOEBONIOSA-N 289.444 3.875 30 20 CHED C=CCn1cccc1C(=O)N(CC(C)C)C1CCCC1 489025890 XSUSWWQHKVFKMY-UHFFFAOYSA-N 274.408 3.715 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C)nc2ccccc12 489772322 SSCTZYWGSCECQO-UHFFFAOYSA-N 282.387 3.875 30 20 CHED C#CCN(CC)C(=O)N[C@H](C)c1ccc(SCC)cc1 490614648 BETHPSUGYQHTRP-CYBMUJFWSA-N 290.432 3.524 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(-c2ccco2)cc1F 491568510 QVHPEVIAIDIXHV-UHFFFAOYSA-N 286.306 3.573 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)c1cccs1 494410042 DCYSAKYCTLBVDD-OLZOCXBDSA-N 278.421 3.949 30 20 CHED CC(C)(CNC(=O)c1ccc(C#N)s1)C1CCCCC1 498323345 PMOGQGSIWXEYSW-UHFFFAOYSA-N 290.432 3.956 30 20 CHED C=CCNC(=O)c1ccc(N(CC)Cc2ccccc2)cc1 499815489 TWGWMSQCSIHSPY-UHFFFAOYSA-N 294.398 3.629 30 20 CHED CCCC[C@H](CCC)CNC(=O)CC(C)(C)C#N 500467903 UWHFNVDNNVTNCV-ZDUSSCGKSA-N 252.402 3.649 30 20 CHED C=C(C)CN(CC)C(=O)NCCCC1CCCCC1 503262699 SFBVXIARNMPCLU-UHFFFAOYSA-N 266.429 3.955 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CCc1ccc(Cl)cc1 503650386 RWNFQDZMCHMMAZ-MRXNPFEDSA-N 292.810 3.717 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)cc2)C1 504362068 JPSYHVDLIYIBJG-GXTWGEPZSA-N 256.349 3.713 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2cccc(F)c2C#N)C1 507028148 SCANVIJWDTVGIQ-CQSZACIVSA-N 280.346 4.000 30 20 CHED C=CCN(C(=O)[C@@H]1CC1(C)C)c1nc2c(s1)CCCC2 507070410 BFDQLOVXBLGGRG-NSHDSACASA-N 290.432 3.587 30 20 CHED CC(/C=C\c1nc(C(=O)O)ccc1C#N)=C/c1ccccc1 508603445 JDHLIAMVICUVEH-ICOAOPQBSA-N 290.322 3.768 30 20 CHED CC1(C)Cc2cc(/C=C/c3ccc(C#N)cn3)ccc2O1 511044793 MLDKGHFNLNWLFT-ZZXKWVIFSA-N 276.339 3.837 30 20 CHED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1-c1ncco1 515975048 WYMXNECLEZWAMK-QWHCGFSZSA-N 267.332 3.754 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@H]1c1ccccc1 523944058 XUVWBOGBGLXMPO-BPUTZDHNSA-N 272.392 3.587 30 20 CHED CN(CC1CCCCC1)c1ccc(Cl)c(C#N)n1 524620248 CWXXFXBZZLEHPH-UHFFFAOYSA-N 263.772 3.623 30 20 CHED CC#CCN(CCC)Cc1ccc(OCCC)c(OC)c1 525633640 JJYSJTJKDDISBI-UHFFFAOYSA-N 289.419 3.719 30 20 CHED C[C@@H](SCCOC[C@H]1CCCO1)c1cccc(C#N)c1 526948387 CPRUWEFLMYMOEJ-CZUORRHYSA-N 291.416 3.548 30 20 CHED C=CCn1cc(CN[C@H](C)c2ccc([C@H](C)CC)cc2)nn1 527908619 GEALSHFTDBIOCZ-HUUCEWRRSA-N 298.434 3.828 30 20 CHED CC1CC(C#N)(C(=O)N2CC3(CCC3)c3c(F)cccc32)C1 531562124 GHBNNTRQVDPOGM-UHFFFAOYSA-N 298.361 3.534 30 20 CHED CCC[C@@H](C#N)NC(=O)CCc1cc(Cl)cc(Cl)c1 532208366 ROBZFQSSBYOGOK-ZDUSSCGKSA-N 299.201 3.734 30 20 CHED Cc1ccsc1CCCC(=O)N(CCC#N)C(C)C 533040544 ZNHFXDWLKJOISD-UHFFFAOYSA-N 278.421 3.530 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(OCCC)c1)OCC 535136819 DULPHWNEOOCRII-MRXNPFEDSA-N 291.391 3.785 30 20 CHED COC(=O)c1cccc(COc2cc(C)cc(C)c2)c1C#N 535163301 UFGKEODKSIBMCR-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CC(C)(C)c1cccc(OCCn2ccc(C#N)c2)c1 535886178 YEHVCXOUZSGGTK-UHFFFAOYSA-N 268.360 3.736 30 20 CHED COc1cc(C#N)ccc1CNc1cc(F)ccc1Cl 536587674 HRWCUAUYECGOFD-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCN[C@@H](Cc1ccccc1)c1ccccc1F 538256417 MQVVOPKMZWDKEE-KRWDZBQOSA-N 255.336 3.885 30 20 CHED Cc1ccccc1OCCCN[C@@H](C)c1ccc(C#N)cc1 538396157 JZPJTOBBIHNAAI-INIZCTEOSA-N 294.398 3.986 30 20 CHED C=CCC[C@H](O)CN[C@H](c1cccc(F)c1)C1CCCC1 539334494 YPGYEDISVDAELP-ROUUACIJSA-N 291.410 3.974 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1(c2ccc(F)cc2)CC1 539466520 LKCFQGNYZDTHJN-ZDUSSCGKSA-N 290.382 3.859 30 20 CHED C[C@H]1[C@H](Cc2ccccc2)CCN1CCC(C)(C)C#N 539570556 XUDGVILAJKNIJY-RDJZCZTQSA-N 270.420 3.879 30 20 CHED C=CCCCCCN(C)C(=O)NCC[C@@H]1CCO[C@H](C)C1 541372987 DXZCRYUFXAOWGE-HZPDHXFCSA-N 296.455 3.579 30 20 CHED Cc1c(Cl)cnc(N(C)CC2CCCC2)c1C#N 542208296 LPRVLBVLPGGBOT-UHFFFAOYSA-N 263.772 3.542 30 20 CHED CC(C)[C@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 542918071 RQIAHCNORSBGDL-KRWDZBQOSA-N 284.403 3.578 30 20 CHED CC#CCN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 544462064 NDNIPCDLDPPOPB-NWDGAFQWSA-N 269.310 3.810 30 20 CHED CCc1cccc(NC(=O)Nc2ccc(C#N)cc2OC)c1 546003442 ZZVKLYWFQTURSX-UHFFFAOYSA-N 295.342 3.773 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 550908384 FJOGDQALQNQBIU-UONOGXRCSA-N 281.440 3.546 30 20 CHED C=CCC[C@H](CC)NCC1(c2ccccn2)CCC1 552337430 UKYVGPIVFIMKNY-HNNXBMFYSA-N 258.409 3.838 30 20 CHED C[C@@](C#N)(NC(=O)c1ccc2[nH]ccc2c1)C1CCCCC1 555902365 DMXOPIBPUFHSRK-SFHVURJKSA-N 295.386 3.760 30 20 CHED Cc1ccc2c(c1)CN(c1c(Cl)cccc1C#N)CCO2 561418917 ZJWGVUJPSZLJAP-UHFFFAOYSA-N 298.773 3.919 30 20 CHED C=CC1CCN(C(=O)CCCc2ccc(F)cc2)CC1 567176915 UHZGAMCASFRMAT-UHFFFAOYSA-N 275.367 3.573 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H]1C(C)C 571449641 CVTBKTWQBBJKRH-KBPBESRZSA-N 276.428 3.602 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H]1C(C)C 571449658 CVTBKTWQBBJKRH-KGLIPLIRSA-N 276.428 3.602 30 20 CHED CC(C)CN(Cc1ccc(C#N)cn1)Cc1ccccc1F 573263657 FIVALMSXZSHPDF-UHFFFAOYSA-N 297.377 3.751 30 20 CHED CC(C)(C#N)CCCCOc1nccc(C(F)(F)F)n1 574754646 JQGQXOGFPLLZIZ-UHFFFAOYSA-N 287.285 3.594 30 20 CHED Cc1ccc(-c2ncco2)cc1NC[C@@H](C#N)CCC#N 576392775 FRLQINXYNCDOGG-CYBMUJFWSA-N 280.331 3.505 30 20 CHED C=CCCCCOc1ccc(NC(C)=O)c(F)c1F 579075759 HNAUEZJWWMJDIL-UHFFFAOYSA-N 269.291 3.658 30 20 CHED C[C@H](Sc1nc2c([nH]1)CCC2)c1ccc(C#N)cc1 580987647 APFROOHPGOWLLV-JTQLQIEISA-N 269.373 3.623 30 20 CHED C[C@@H]1CN(C)c2ccccc2N(Cc2cccc(C#N)c2)C1 581461446 PSFDNVHARMMDCU-OAHLLOKOSA-N 291.398 3.651 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCSc1ccccc1)CC2 582695562 WGJMYFIGXXOQGE-GOSISDBHSA-N 294.423 3.927 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)CCCCCC#N)C1 588161358 FXLGMGHMOHRXIV-HNNXBMFYSA-N 264.413 3.745 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 588424802 UGZYTVNEZVBLKC-XQRVVYSFSA-N 288.690 3.539 30 20 CHED Cc1ccccc1-n1nccc1NC(=O)CCCCCC#N 588927303 QRQXGDCUEXUMGO-UHFFFAOYSA-N 296.374 3.593 30 20 CHED CCC1(CC)CN(c2nc(C(C)(C)C)ccc2C#N)C1 590142551 XBMMUTCSQBRTHQ-UHFFFAOYSA-N 271.408 3.877 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(C2(C#N)CCC2)n1 590285141 IFYKRHUZZXALEV-NEPJUHHUSA-N 259.353 3.699 30 20 CHED CC[C@H](C#N)C(=O)NCC1CCC(C(C)(C)C)CC1 593534424 MIERBXPBJPGTTE-ROKHWSDSSA-N 264.413 3.505 30 20 CHED CC1(C)C[C@H](N[C@H]2CC[C@@H](C#N)C2)c2cc(F)ccc2O1 593674552 XHYYDLCILAXTIA-ZLDLUXBVSA-N 288.366 3.710 30 20 CHED Cc1cccc2c(Cc3noc(CCCCC#N)n3)c[nH]c12 594538743 OCYOBPPHTXMLIN-UHFFFAOYSA-N 294.358 3.687 30 20 CHED C=CCCSCCNCc1cccc(OC2CC2)c1F 594968488 PDQMRNRIMRABSZ-UHFFFAOYSA-N 295.423 3.766 30 20 CHED CC(C)(C)CCCCNC(=O)N1CCC[C@H](CC#N)C1 595496149 WWJUYQNMLRBSKO-CQSZACIVSA-N 279.428 3.538 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1nc(C#N)ccc1C 596085705 OSXQKTIDKCPYFV-INIZCTEOSA-N 263.344 3.670 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)C1 596266897 XZMCEIKVCLKRFY-XHSDSOJGSA-N 291.439 3.536 30 20 CHED N#CC1(C(=O)NCc2ccc(-c3cccs3)cc2)CCC1 597975470 GDXCJPYKXWVNSY-UHFFFAOYSA-N 296.395 3.725 30 20 CHED Cc1ccccc1-c1nsc(N2CCC[C@](C)(C#N)C2)n1 599067060 XGSXGUFKPXGFNG-MRXNPFEDSA-N 298.415 3.644 30 20 CHED C[C@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccco1 599507783 HITBPJBTEKQFDS-CXAGYDPISA-N 288.391 3.752 30 20 CHED COc1ccc(Cl)cc1CN(C)C[C@@H](C)CCC#N 602437015 QAJOZSWDHMWTDX-LBPRGKRZSA-N 280.799 3.720 30 20 CHED C[C@@H](CC#N)NCc1nc(-c2ccccc2Cl)cs1 602869908 JRJLMAZBPZEYIK-JTQLQIEISA-N 291.807 3.855 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(-c2ccccc2)o1 604894328 FTXPNLRGCSIJOO-CYBMUJFWSA-N 284.359 3.710 30 20 CHED C=CCOCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H](C)CC 607582521 MHUMRFVDCWLTHE-WBMJQRKESA-N 295.810 3.746 30 20 CHED CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 609043140 ZLMPQDVCODPYHE-SJORKVTESA-N 299.418 3.716 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 610010388 RXGWKPSGNAWSDP-CZUORRHYSA-N 285.391 3.991 30 20 CHED CC[C@@H](C)CN(C)c1c(C#N)cnc2c(F)ccc(F)c12 610277876 DTLJQXGSXNQFSR-SNVBAGLBSA-N 289.329 3.867 30 20 CHED CC[C@@]1(C)CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 610407163 RAMOZPQPEZHONV-KDOFPFPSSA-N 299.418 3.841 30 20 CHED CCOCCC1(CN[C@H]2CCCc3cc(C#N)ccc32)CC1 611394359 DMGUJGGCUDAYAC-SFHVURJKSA-N 298.430 3.732 30 20 CHED CC[C@@H](C)CCCCC(=O)N(CCC#N)CC(F)(F)F 612045806 AHPFIMLJMFYMMB-GFCCVEGCSA-N 292.345 3.897 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 613037821 HKNBIFUMKUOLKR-ZJUUUORDSA-N 299.201 3.905 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCOC3(CCC3)C2)n1 613429140 GWBKGFKZCMPHJV-CQSZACIVSA-N 299.418 3.764 30 20 CHED C=CCC1(NC(=O)c2scc(C)c2Cl)CCOCC1 618250906 UFSHKIGAYRVWKA-UHFFFAOYSA-N 299.823 3.565 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccsc1 619756739 PDIZRNVZOPHMRO-NEPJUHHUSA-N 299.399 3.741 30 20 CHED C=CCN(C(=O)c1cccc(OCCC)c1)C(C)(C)C 622943686 MNZYKTRLOXDKGX-UHFFFAOYSA-N 275.392 3.902 30 20 CHED C=CCN(C(=O)[C@@H](C)OCc1ccc(F)cc1)C(C)(C)C 622945736 QMLBBTBDIFBBLC-CYBMUJFWSA-N 293.382 3.544 30 20 CHED C=CCC[C@H](C)N[C@@H](C)c1ccc2nc(O)oc2c1 631737545 QRCNUYOVOLAQFF-QWRGUYRKSA-N 260.337 3.539 30 20 CHED C=CCN(CC=C)c1nc(C)nc2sc3c(c12)CCC3 641936146 REBCQXNQYJAYCF-UHFFFAOYSA-N 285.416 3.667 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2ccncc2c1 649903648 SFMSZRZHKLAZQC-CYBMUJFWSA-N 268.360 3.709 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2nc(C)cs2)C1 660555387 YIIHMQXHKAPSHP-OLZOCXBDSA-N 293.436 3.510 30 20 CHED C=CC[C@H]1CCCN(Cc2nc(-c3ccccc3C)no2)C1 661376416 BUBKIWQWDZQRQR-HNNXBMFYSA-N 297.402 3.833 30 20 CHED C=CC[C@@H]1CCCN(Cc2cnc3c(cnn3C(C)C)c2)C1 661379435 YMCSSVHAKPVYKN-OAHLLOKOSA-N 298.434 3.800 30 20 CHED C=CCC1(NC(=O)NCc2cc3ccccc3[nH]2)CCCC1 663866273 IKNYZMYYQXAFCD-UHFFFAOYSA-N 297.402 3.856 30 20 CHED C=C(CNC(=O)C(C)(C)c1cccc(F)c1)c1ccccc1 673342104 LIGIPOQNJCTZFC-UHFFFAOYSA-N 297.373 3.933 30 20 CHED C=C[C@H](C)NC(=O)C(C)(C)c1ccc2ccccc2c1 674955746 HEAKHQSYNSOQRP-ZDUSSCGKSA-N 267.372 3.808 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2occc2s1 678881416 KYIMKXYMMYEXTF-JTQLQIEISA-N 263.362 3.969 30 20 CHED C=CCCCCNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 681146522 VYYODHXAUFXTBQ-UKRRQHHQSA-N 275.392 3.808 30 20 CHED C#CCN(C(=O)[C@H]1CCC[C@@H](C)C1)C1CCCCC1 688892928 LTZACABEBOYLTA-CABCVRRESA-N 261.409 3.607 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]1C(C)(C)O 707385355 FVRAEDKYPZLUFX-HNNXBMFYSA-N 283.456 3.889 30 20 CHED Cc1cc(C)cc(NN=Cc2cnn(-c3ccccc3)c2)c1 725805999 SRVSUGSLYQLYPC-UHFFFAOYSA-N 290.370 3.935 30 20 CHED Cc1cc(C)c(C=Nn2cnc3ccccc32)c(C)c1 725849920 XNFASHCVWRICBA-UHFFFAOYSA-N 263.344 3.844 30 20 CHED C#CCCOC(=O)c1oc2c(C)ccc(C)c2c1C 727042424 ZSGCUQCNLOEJPG-UHFFFAOYSA-N 256.301 3.538 30 20 CHED C=CC[C@@H](C)C(C)=NNc1ncnc2sccc12 727776920 ICQSDSPDFHZCAS-SECBINFHSA-N 260.366 3.691 30 20 CHED CC(=NNCc1ccccc1)c1ccc(C)c(C)c1O 728156725 NFXUMXYNBFYBHE-UHFFFAOYSA-N 268.360 3.523 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(N(C)C)cc2)ccc1O 728231644 MRLJTNKMGCGZFZ-POHAHGRESA-N 281.355 3.663 30 20 CHED C#Cc1cccc(N(C)C(=O)CC2CCCCC2)c1 728483209 PRAIZKPLVROAPN-UHFFFAOYSA-N 255.361 3.601 30 20 CHED C=CCNC(=S)N[C@H](C)c1ccc(SC(C)C)cc1 728794326 SIOXWIVUXBDLSI-GFCCVEGCSA-N 294.489 3.898 30 20 CHED C#Cc1ccc(C(=O)N(CC)[C@@H](CC)c2ccccc2)cn1 728810596 KMJBUAALTWIWBN-SFHVURJKSA-N 292.382 3.676 30 20 CHED Fc1ccc(NN=C2CCSc3c(F)cccc32)nc1 731322006 VFDSNQQJKUMDST-UHFFFAOYSA-N 291.326 3.672 30 20 CHED Cc1ccc(C=NN[C@@H](C)c2ccccc2)cc1F 731486927 ZYHXEXWETLQLJL-ZDUSSCGKSA-N 256.324 3.819 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N(CCC#N)CC(C)C 734812390 OAJNTDNIBAULFR-INIZCTEOSA-N 286.419 3.887 30 20 CHED C=CC[C@H](C)NCc1ccccc1N1CCCCC1 735085718 JHDMZIIFHYOEAV-HNNXBMFYSA-N 258.409 3.731 30 20 CHED Cc1ccc2[nH]c(C(=O)OCCCCC#N)cc2c1C 735158569 CRAGTCAFNFPUAB-UHFFFAOYSA-N 270.332 3.635 30 20 CHED C=CCCCOC(=O)c1nc(-c2cccs2)oc1C 735529540 DMKODALLMPUBJP-UHFFFAOYSA-N 277.345 3.835 30 20 CHED C=C(Cl)CNC(=O)c1ccccc1Nc1ccccc1 736239363 VDNVXKPLTQAJEX-UHFFFAOYSA-N 286.762 3.913 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)C1CCCCC1 741466542 UYEBTFVTJIYKGT-UEMWTREESA-N 261.365 3.789 30 20 CHED C=CCN(Cc1ccccc1F)C[C@@H](O)c1ccc(C)cc1 743263199 HYZVSEDSLYCCEV-LJQANCHMSA-N 299.389 3.856 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](CC)c1ccc(C)cc1 743463333 VMWORKISWGQCPQ-GOEBONIOSA-N 276.376 3.971 30 20 CHED C#C[C@@H](C)OC(=O)c1cc2c3ccccc3n(C)c2s1 744178979 RJHCONNGRNIVCV-SNVBAGLBSA-N 283.352 3.572 30 20 CHED C=C(C)CCOC(=O)c1cc(Br)ccc1C 744303392 YNQHHZZHHBXLEC-UHFFFAOYSA-N 283.165 3.881 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NOCc1cccnc1 746576685 MDCHLTLRTUSQRU-UHFFFAOYSA-N 299.330 3.515 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NOCc1cccnc1 746588488 OVBYMTCQBNYUFJ-UHFFFAOYSA-N 298.239 3.790 30 20 CHED CCOc1cccc(C=NNc2cc([N+](=O)[O-])ccc2C)c1 747060039 FZEMKNJTFISHEO-UHFFFAOYSA-N 299.330 3.748 30 20 CHED Fc1cc(NN=Cc2c[nH]c3ncccc23)ccc1Cl 747636686 OGLUMVCJLTWYGP-UHFFFAOYSA-N 288.713 3.801 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cc(C#N)cs1 748441503 ZNJKAFZAYWGZRU-NSCUHMNNSA-N 259.355 3.886 30 20 CHED C=CCCCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 748673775 JNVLYKNALJVJGM-UHFFFAOYSA-N 268.700 3.543 30 20 CHED Cc1cccc2ncc(/C=C3/CCc4ccccc4C3=O)n12 748993597 ARGNZTBXMCLJES-PTNGSMBKSA-N 288.350 3.855 30 20 CHED C/C(=C\C(=O)N(C)c1ccc(C#N)cc1)C(C)(C)C 749151656 WPXLYNJSDBVDMK-ZRDIBKRKSA-N 256.349 3.513 30 20 CHED C=CCC[C@@H](NC(=S)NCCSC)c1ccccc1 752766916 UKGFUUJBPXUBJO-CQSZACIVSA-N 294.489 3.521 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2ccc(O)c(F)c2)co1 752878077 BEQZEBMBEBRJBE-XQRVVYSFSA-N 275.279 3.539 30 20 CHED C=CCCCCCCCNC(=O)Cc1ncc(C)s1 752988023 YSGZPQZPRMEPEB-UHFFFAOYSA-N 280.437 3.637 30 20 CHED C#CC[C@H](/N=C\c1cccc(OCC)c1O)c1ccccc1 756847414 RVMXQSQODMCHON-PNWWAVQQSA-N 293.366 3.974 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(Cl)nc1C)c1ccccc1 757619205 ZFXJOTYKWKJQDU-OAHLLOKOSA-N 298.773 3.538 30 20 CHED CCc1oc2ccccc2c1C=NOCC(F)F 758899014 CDHZXZLJDSOXMG-UHFFFAOYSA-N 253.248 3.611 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2nc(Cl)cs2)cc1 759074444 DMGFWSYNINBICF-BQYQJAHWSA-N 292.791 3.759 30 20 CHED CCc1ncc(C=NNc2cc(C)ccc2F)s1 759667789 YZHGKWWBUKUNMZ-UHFFFAOYSA-N 263.341 3.599 30 20 CHED COc1ccc(/C=C/c2cc(C=O)c(C)s2)cc1C#N 760264109 JTMKCPJKZOCVBX-HWKANZROSA-N 283.352 3.920 30 20 CHED Cn1cc(NN=C2CCC(c3ccccc3)CC2)cn1 761864152 FESSSXIZIGQFGA-UHFFFAOYSA-N 268.364 3.546 30 20 CHED CCCCCCCSC[C@@H]1CC2(CC2)C(=O)O1 762420880 DRLVTCGDLHFNPV-LBPRGKRZSA-N 256.411 3.786 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 765290072 GJSULUIVDRALHD-CVEARBPZSA-N 296.455 3.604 30 20 CHED Cc1nc(Cl)cc(NN=C2CC(C)(C)C[C@@H]2C)n1 766022058 YMOYDEJALSRBBL-QMMMGPOBSA-N 266.776 3.662 30 20 CHED FC(F)(F)C1CCC(=NNc2nccnc2Cl)CC1 766026059 YRKMISUHPOQELY-UHFFFAOYSA-N 292.692 3.650 30 20 CHED Cc1cc(/C=C2/CCOc3ccccc3C2=O)ccc1C#N 766491975 SJVMEECYGYVBRD-PTNGSMBKSA-N 289.334 3.916 30 20 CHED C=CCCOC(=O)[C@H](C)c1ccc(Br)cc1 766619664 UXWBUWITKZELFU-SNVBAGLBSA-N 283.165 3.672 30 20 CHED CSc1ccc(C=NNc2cccc(C#N)c2)cc1 767336546 RIHJHZGLIBHWTA-UHFFFAOYSA-N 267.357 3.726 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc(F)cc2Cl)n1 767785952 SYKPOHFMWVIXFJ-UHFFFAOYSA-N 299.136 3.677 30 20 CHED CCC(=NNC(=S)Nc1ccccn1)C1CCCCC1 767804206 DLJHGUSQQOUMJW-UHFFFAOYSA-N 290.436 3.714 30 20 CHED CNc1ccccc1C(=O)OCCCCC(C)(C)C#N 768393526 SLOFOYUHKVBXEJ-UHFFFAOYSA-N 274.364 3.605 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)OCc1cccc(C#N)c1F 769179461 UQQOQOGUPWKDOK-RYUDHWBXSA-N 275.323 3.567 30 20 CHED CCCCCCCC(=O)N[C@@H](C)Cc1cccc(O)c1 769427423 ABEXYGTZGIXBKB-AWEZNQCLSA-N 277.408 3.800 30 20 CHED C#C[C@H](C)N(C)CCOC(c1ccccc1)c1ccccc1 769962120 BIHMUAOYSQOQFP-KRWDZBQOSA-N 293.410 3.746 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)s1 770571041 NWBKQBOHIULZDQ-GQCTYLIASA-N 271.316 3.963 30 20 CHED C[C@@H](CC1CCCCC1)/N=C\c1ccc(O)c(O)c1O 772155585 RVOAMRQRRJDOMJ-MTUBTWAWSA-N 277.364 3.581 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2)c(F)c1 772803321 SHTXSZCANWTFFE-YVMONPNESA-N 269.250 3.733 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)C=C2CCC2)cc1 774583114 RUNDSOLNHNQAQN-UHFFFAOYSA-N 299.370 3.745 30 20 CHED O=C(/C=C/c1nc2c(s1)CCCC2)c1cccs1 776263299 RHRHNBHKCUZZTH-BQYQJAHWSA-N 275.398 3.980 30 20 CHED Cc1ccoc1C=NN[C@H](Cc1ccccc1)C(C)C 777449269 UWBLJPJQAAJIOZ-MRXNPFEDSA-N 270.376 3.779 30 20 CHED C=CCN(Cc1cccs1)C(=O)NOC1CCCCC1 777718319 XWLKUBAVLVWSOL-UHFFFAOYSA-N 294.420 3.710 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNc1cc(Cl)nc(N)n1 778544634 HVGJMQWCXIQQOS-JTQLQIEISA-N 295.818 3.716 30 20 CHED C=CCC[C@H](C(=O)OCCC#CC)c1ccccc1 778559023 IWFJKGYMTIGEGL-INIZCTEOSA-N 256.345 3.693 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC)c2ncccc12 779865384 LZZRADUMRNOOMF-UHFFFAOYSA-N 296.370 3.766 30 20 CHED C=CCCCC(=O)OCc1ccc(Cl)cc1C#N 780037818 WDNDGENMQQOXQG-UHFFFAOYSA-N 263.724 3.611 30 20 CHED C=C(Cl)CSc1nnc(-c2cccc(C)c2)o1 780125708 NDUJMKIZCVXNEX-UHFFFAOYSA-N 266.753 3.890 30 20 CHED CCCCCCCOC(=O)[C@H]1CCO[C@H](CC)C1 780137001 IOGVPCATVSPAGT-UONOGXRCSA-N 256.386 3.705 30 20 CHED CC1(C)C[C@H](NN=Cc2csc3ccccc23)CCO1 780240775 HXEBKSWXJSDECB-CYBMUJFWSA-N 288.416 3.782 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1cc(C)ccc1OC 781622319 NINSNPXHJWXQHV-ZDUSSCGKSA-N 262.349 3.964 30 20 CHED CC1(C)CC[C@@H](C(=O)OCc2ccc(F)c(C#N)c2)C1 781703710 HVCPJWKASAEERE-GFCCVEGCSA-N 275.323 3.567 30 20 CHED CC(C)CCCCCC(=O)N1CCC(CC#N)CC1 782053526 PADAGUAFSUMQCD-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C/c1ccsc1 782119629 LVOYFUQREYMTIZ-SNAWJCMRSA-N 263.362 3.634 30 20 CHED N#C[C@@H](C(=O)C1=CCCCC1)c1ccc2ccccc2n1 783068270 KTQCFZMTAXEAOI-OAHLLOKOSA-N 276.339 3.911 30 20 CHED C[C@H](C=NNc1ccccc1C(=O)O)Cc1ccccc1 783817739 YAWKXANJWAKKIA-ZDUSSCGKSA-N 282.343 3.661 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccc(Cl)nc1 783849205 NARJGHOTTZGLRP-QWRGUYRKSA-N 251.761 3.959 30 20 CHED COC(=O)c1cccc(NN=C[C@H]2CCCC[C@H]2C)c1 783866918 LWBZAZOUZBCQJM-TZMCWYRMSA-N 274.364 3.697 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2cc3ccccc3o2)nc1 786657450 VSNOSPQFYBNBJX-LBPRGKRZSA-N 291.306 3.727 30 20 CHED C#Cc1ccc(CN[C@@H](c2ncc(C)s2)C2CC2)cc1 787772190 HKINMLGRQITSIR-MRXNPFEDSA-N 282.412 3.674 30 20 CHED C#CCC1(C(=O)N[C@H](C)C[C@H](C)CC)CCCCC1 788226613 XWTLGELJNWKAMM-HUUCEWRRSA-N 263.425 3.901 30 20 CHED C#CCC1(C(=O)Nc2cc(C)c3c[nH]nc3c2)CCCCC1 788524331 WMPSQIJGXXHZHA-UHFFFAOYSA-N 295.386 3.784 30 20 CHED COc1cccc(O)c1/C=N\CC(F)(F)c1ccccc1 788674409 JFRHRQFQUOZICP-GRSHGNNSSA-N 291.297 3.612 30 20 CHED CC(CCC(C)(C)C)=NNc1ccc(C(=O)O)cc1 788931609 IILDDKFPDKRCQF-UHFFFAOYSA-N 262.353 3.999 30 20 CHED CC[C@@H](C)C(C)=NNc1cccc(F)c1[N+](=O)[O-] 790306680 MXZOOHGTDVUHDK-MRVPVSSYSA-N 253.277 3.568 30 20 CHED CC(/C=C/C(=O)c1cc(C)on1)=C\c1ccccc1 791432713 PBVITGVAABMPJS-CDKJVOIVSA-N 253.301 3.825 30 20 CHED C=C(Cl)COc1ccc(C(F)(F)F)c(C#N)c1 791435282 RPVYZJSPWRSWLT-UHFFFAOYSA-N 261.630 3.708 30 20 CHED CCCCCCCCC(=O)O[C@H](C)c1ccnn1C 791933642 GKRWYVVOADCZCB-CYBMUJFWSA-N 266.385 3.775 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NNCC1(C)CCCC1 793082000 RNZDJJLDVLKFRZ-UHFFFAOYSA-N 296.418 3.685 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2cccc3c2CCO3)cc1 793326274 QLQZFQOGEBGUGA-ZDUSSCGKSA-N 294.354 3.524 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C2CC2)cnc1Cl 793976683 PTDHFZVJDQWFFB-ZDUSSCGKSA-N 290.794 3.793 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(C#N)o1 794259248 WFGXVYCRNICIPO-UHFFFAOYSA-N 294.354 3.652 30 20 CHED Cc1cnn(C)c1/C=C1\COc2c(cccc2C(C)C)C1=O 794703782 VURDALUIFSTFOZ-MDWZMJQESA-N 296.370 3.511 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccnc(F)c2)cc1F 794719480 LCTIURCQCCMIBY-HWKANZROSA-N 289.281 3.655 30 20 CHED O=C1/C(=C/c2cccs2)COc2cc(F)ccc21 794727321 HPMBVNQSYRODFV-RMKNXTFCSA-N 260.289 3.546 30 20 CHED N#Cc1ccc(/C=C2\CCc3ccc(O)cc3C2=O)s1 794960208 OHCDPHQBJHLVDS-YRNVUSSQSA-N 281.336 3.538 30 20 CHED C[C@H](C=NNc1ncccc1F)CCc1ccccc1 794986313 ZTMFNNYVMNUXOG-ZDUSSCGKSA-N 271.339 3.887 30 20 CHED Fc1cccc(NN=C2CCC[C@H]2c2ccccc2)n1 795008464 HWOOJLWJHXVEHP-ZDUSSCGKSA-N 269.323 3.956 30 20 CHED Cc1cccc(CC(=NNc2cccc(F)n2)C2CC2)c1 795009260 YPDMTJCQCWDUBU-UHFFFAOYSA-N 283.350 3.950 30 20 CHED COCCCON=C(C)c1cc2cc(C)c(C)cc2o1 795048438 LLCVYQVMPWRTDP-UHFFFAOYSA-N 275.348 3.827 30 20 CHED CC(C)c1c(Cl)ncnc1NN=Cc1ccsc1 797405109 MRJKZTTURDXBSG-UHFFFAOYSA-N 280.784 3.761 30 20 CHED Cn1ccnc1NN=C1CC(C)(C)CCc2ccccc21 797788131 KBKSGCBNRDKZAX-UHFFFAOYSA-N 282.391 3.599 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C\c1ccc(Cl)cc1 798554250 NFOLAHOERPPCAY-MSKHEQNASA-N 263.768 3.824 30 20 CHED Cc1ccc(C(=O)Nc2cccc3cccnc23)cc1C#N 799297215 LEQCRHNWCTYXDB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1oc(C)c(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1C 803082759 LSQUXYTVKYPAQD-JTQLQIEISA-N 298.342 3.748 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(Cl)c1C 806098219 NKFNXCXTEQEQOW-LLVKDONJSA-N 264.756 3.572 30 20 CHED CCOCC(C)(C)C/N=C\c1cc(Cl)ccc1O 809144201 HBDDCRSUPIFCGU-PXNMLYILSA-N 269.772 3.527 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C=C(\C)C(C)(C)C)cc1 809259460 SPFLTYNUOJHCRC-SICOMBFOSA-N 284.403 3.922 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 809975984 XZICRRTVSFAXCW-ZIFCJYIRSA-N 295.426 3.686 30 20 CHED C#CCC1(OC(=O)Cc2coc3cc(F)ccc23)CCC1 810747724 JZNGTNJKIAFUOW-UHFFFAOYSA-N 286.302 3.604 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CCC2(CCCC2)CC1 811644534 ABXVTILPLRFUMH-UHFFFAOYSA-N 288.351 3.892 30 20 CHED CC(=NNC[C@@H]1CCSC1)c1cc2c(s1)CCCC2 811657891 FFDJERUTXUCRJA-LBPRGKRZSA-N 294.489 3.694 30 20 CHED CC(=NOC/C=C\Cl)c1cc(F)c(F)c(F)c1 811671311 CSQBUJBGKFXBIV-USEVMTSZSA-N 263.646 3.597 30 20 CHED O=C1/C(=C\c2cccc3nccn23)Oc2cccc(Cl)c21 811699831 XPLXRUWSZQSRCJ-UKTHLTGXSA-N 296.713 3.604 30 20 CHED C=CCCCCCCCNC(=O)N[C@H](C)C1CCOCC1 811895519 SSHRRJUWLGWPAE-OAHLLOKOSA-N 296.455 3.627 30 20 CHED CC(=NOCCOC(C)C)c1cc(Cl)cc(C)c1O 812238841 GENXJWBNSHDLLM-UHFFFAOYSA-N 285.771 3.520 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H]2C[C@H]2CCC)n1 812810546 NPYXWZGMUWVJNQ-TZMCWYRMSA-N 282.343 3.652 30 20 CHED C/C=C(/CC)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813217800 PDOIQFAGQQUNQP-QSADENFPSA-N 282.265 3.633 30 20 CHED CC(=NNc1cccc2ccccc12)c1ccc(N)nc1 814823115 RMMJXBNSWQIAPM-UHFFFAOYSA-N 276.343 3.653 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](c1cccs1)C1CC1 814872985 GWOWZUNJUXWPCX-NSHDSACASA-N 271.332 3.527 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1c[nH]nc1C 814881987 DRNDHZRLYBFZGX-UHFFFAOYSA-N 282.269 3.573 30 20 CHED CSC(C)(C)CC=NNc1cc(C#N)cc(Cl)n1 814890851 CELPABSPCZXMFG-UHFFFAOYSA-N 282.800 3.536 30 20 CHED CCC(CC)CNN=C1CC[C@@H](C(=O)O)C(C)(C)[C@H]1C 814906265 MMLRSGPBYWWRSE-AAEUAGOBSA-N 282.428 3.525 30 20 CHED CCN(CC)c1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1 815011243 FZBUPZVQXVTAJP-WMZOPIPTSA-N 285.435 3.657 30 20 CHED C=CCN(C(=O)c1cc(F)ccc1Cl)C(C)C 815398580 NHMTUUBMNISKSG-UHFFFAOYSA-N 255.720 3.516 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(F)cc1OCCC 815797068 ZOUWBZNMQWIKLU-UHFFFAOYSA-N 287.281 3.764 30 20 CHED CC(CCc1ccc(F)cc1)=NN[C@H](C)c1ccncc1 819815207 NWBFEZVFTDBKAT-CQSZACIVSA-N 285.366 3.880 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc(Cl)nc1C 820388296 OCHURQOHHSIVNG-UHFFFAOYSA-N 267.756 3.689 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(N=S(C)(C)=O)cc1 820398685 BJPLXWARDSBHQK-LBPRGKRZSA-N 294.420 3.587 30 20 CHED C=CCN(C(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 820802101 ZMJUZEHYNSJFJD-KAMYIIQDSA-N 293.366 3.928 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1csc([C@H](C)OCC)n1 821447938 NOPYJNDEKBKUAX-NSHDSACASA-N 297.420 3.886 30 20 CHED CCCCCCCCC(=O)N1C[C@H](C)OC[C@H]1CC 830030816 SBCKUDSDYDADGD-LSDHHAIUSA-N 269.429 3.763 30 20 CHED c1ccc(CCCNN=C2CCCC23CCC3)cc1 834956189 MRFRFBNAPZFUMA-UHFFFAOYSA-N 256.393 3.919 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C1=CC[C@@H](C)CC1 836503929 XRBTUMLMOXPUMS-CQSZACIVSA-N 285.362 3.534 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(Cl)c2cccnc12 837326726 UBQREDBHTVPWHI-UHFFFAOYSA-N 286.762 3.876 30 20 CHED C#CCCCOC(=O)c1cc2cccc(C)c2nc1Cl 838207007 JJKMOCDJRRNWRY-UHFFFAOYSA-N 287.746 3.767 30 20 CHED O=C(C#CC1CC1)OCc1csc(C2CCCCC2)n1 838369836 SAURKNOPVGEYNH-UHFFFAOYSA-N 289.400 3.647 30 20 CHED C#CCCCCNC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 838514608 RZZQBXRKPXIGMI-MRXNPFEDSA-N 290.451 3.790 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCc2ccccc2Cl)C1 839044848 VQCPUSYATOGJCK-GXTWGEPZSA-N 291.778 3.898 30 20 CHED CC(C)(C)SCCCC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839054872 MFAJVIBZQGNMCH-CHWSQXEVSA-N 283.437 3.924 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCCc2ccsc2)C1 839056108 ZJHYITTZNVZQSX-ZIAGYGMSSA-N 277.389 3.696 30 20 CHED N#C[C@]1(C(=O)O[C@@H]2CCc3ccc(F)cc32)CC12CCCC2 839293004 AKPZEUWCDKZXNU-QAPCUYQASA-N 299.345 3.830 30 20 CHED CC1(C)CC[C@H](ON=C(c2ccccc2)C(F)(F)F)C1=O 840436176 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C=CC(C)(C)CC(=O)Nc1cc(NC(=O)CC)ccc1C 878242061 FRAIEBFODUVECZ-UHFFFAOYSA-N 288.391 3.884 30 20 CHED C=CCC[C@H](CC)Nc1cccc([C@]2(C)COC(=O)N2)c1 883327891 IAPBJAATNNXJLA-YOEHRIQHSA-N 288.391 3.798 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)C1)c1ccccc1 888015302 IMKLRYYDYWGTLS-TZMCWYRMSA-N 297.320 3.757 30 20 CHED C=C1CCC(C(=O)N2CCS[C@@H]3CCCC[C@H]32)CC1 889433793 JVKGTSOWQVQFOL-HUUCEWRRSA-N 279.449 3.619 30 20 CHED C[C@H]1CN(c2cc(C#N)sc2[N+](=O)[O-])[C@H]1c1ccccc1 892726750 CDBCBLNFMOYCPC-IINYFYTJSA-N 299.355 3.725 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cn1 902867573 CROXXQLACQZSRZ-ZJUUUORDSA-N 258.287 3.716 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cc(Cl)c(N)c(Cl)c1 903100332 NZHROLJVYLMQKP-MRVPVSSYSA-N 286.206 3.776 30 20 CHED CC(C)c1cccc2c1OCCC[C@@H]2NCC1(C#N)CC1 903106191 NHXGCBRBZUSIMS-INIZCTEOSA-N 284.403 3.917 30 20 CHED C=C(C)C(C)(C)c1nc(CCCCSC)no1 903780440 ZKMXOLLDHXSIHL-UHFFFAOYSA-N 254.399 3.609 30 20 CHED C=CCCCN(CC)[C@@H](C)c1cc(C)c(C(=O)O)o1 903960827 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KDUDVILXDJEQNA-QWRGUYRKSA-N 296.436 3.604 30 20 CHED CC(C)(C/N=C(/O)c1coc(C2CCCCC2)n1)C(=N)O 331115931 NDLVJCMMBANFKP-UHFFFAOYSA-N 293.367 3.588 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc3sccc3c2)C1 334431576 WFRYXYLYHBMSJN-FZMZJTMJSA-N 256.374 3.683 30 20 CHED Cc1cc(C(=O)Nc2ccccc2CC#N)c(F)cc1F 334445052 FUVJYXLFDNEGFH-UHFFFAOYSA-N 286.281 3.592 30 20 CHED C[C@@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1Cl 334729372 APHHWXXGMURVCS-LLVKDONJSA-N 291.782 3.812 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ccoc1 336625014 QHDYOGNTXGPLFN-BZNIZROVSA-N 298.317 3.508 30 20 CHED Cc1cc(F)cc2c1CN(CC(C)(C)CCC#N)CC2 337383005 BORVZKGBHPNDFP-UHFFFAOYSA-N 274.383 3.822 30 20 CHED Cc1ccnc(NC[C@@]2(C)C[C@H]2c2ccccc2)c1C#N 338741140 NLCGQORMFFDVTH-FUHWJXTLSA-N 277.371 3.867 30 20 CHED CC(C)Cn1ccc2c(C(=O)N[C@@H](C#N)C(C)C)cccc21 343631501 QZOFKTBESDHTEM-INIZCTEOSA-N 297.402 3.575 30 20 CHED Cc1ccc(COc2ccc(CNCCCC#N)cc2)cc1 344324366 KUYIFJJEYKHKGS-UHFFFAOYSA-N 294.398 3.967 30 20 CHED CC(C)COc1ccccc1CN1CCC(F)(C#N)CC1 352458548 LZCLUOJVFOLCGR-UHFFFAOYSA-N 290.382 3.549 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1ccc2n[nH]cc2c1 353186879 DNBNIAYWRHPHEN-LBPRGKRZSA-N 270.380 3.543 30 20 CHED C=CCOCC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 354901548 NLFHLTISNRGCHT-CYBMUJFWSA-N 293.432 3.567 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(C#N)ccc1NC1CC1 355649437 ZPMAVWNZQMOOEL-KSSFIOAISA-N 297.402 3.753 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccccc1 359238830 ZYYGDHPBSJKXBO-AWEZNQCLSA-N 296.418 3.929 30 20 CHED CCCCCCCCN1CCOC2(CCOCC2)CC1 364247569 ZLVKEZORRRZRSX-UHFFFAOYSA-N 283.456 3.618 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(c2cccnc2)CCCC1 367282926 PYGOCGXGQONJLT-OAHLLOKOSA-N 286.419 3.754 30 20 CHED C=CCCCC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 374976082 COTRXZHLBXCOQM-GFCCVEGCSA-N 289.341 3.924 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCCCCC#N 375851095 KQKHTXZGSMQLOS-FGTMMUONSA-N 286.419 3.621 30 20 CHED CC(C)N(CCC#N)C(=O)c1cccc2ccsc12 386209647 HENAXHAYDPKBRU-UHFFFAOYSA-N 272.373 3.666 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1cc(C)cc(C)c1 410117843 GHNPCDXIOGDHPA-MRXNPFEDSA-N 259.393 3.707 30 20 CHED C[C@H](CCC#N)Sc1n[nH]c(/C=C\c2ccccc2)n1 412987623 JUTXNOXOBSDKBU-ZWLSGLHFSA-N 284.388 3.759 30 20 CHED C=CCn1c(C)cc(C(=O)CSCCCSC)c1C 413012802 XSCOCXKNJGDAGP-UHFFFAOYSA-N 297.489 3.960 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(OC)cc1C 414151209 PVCXBTZJBYAPEH-DAYGRLMNSA-N 289.419 3.635 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@H]1NCC(C)(C)CC#N 414163460 ISNYBAIWJKTVLF-ABAIWWIYSA-N 260.356 3.588 30 20 CHED C=C(CC)CSC[C@@H]1CCN(C(=O)c2ccccc2)C1 419450074 YTRMAXXRNSMROE-OAHLLOKOSA-N 289.444 3.848 30 20 CHED Cc1ccccc1O[C@H](C)CNCc1ccc(C#N)c(F)c1 421364487 ORFNBSVVMQLKBV-CQSZACIVSA-N 298.361 3.563 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425136362 WTDYMEGFALMYHR-AWEZNQCLSA-N 282.387 3.846 30 20 CHED C=CCCCC(=O)N[C@@H](C)CCCC(F)(F)F 427736949 PABWVWRBANCRPS-JTQLQIEISA-N 251.292 3.580 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2cccc(C)c2C1 428953630 PHDTWLVKHMBIGK-HNNXBMFYSA-N 286.419 3.808 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[C@@H](C)C1 428955635 WADPIINAZATBIR-RDBSUJKOSA-N 252.402 3.561 30 20 CHED CCN(CC)[C@@H](CNc1c(C#N)cccc1C#N)CC(C)C 430544483 LVGNUTYAOBUGCE-QGZVFWFLSA-N 298.434 3.598 30 20 CHED Cc1ccc(C#N)c(N2CCC[C@@H](c3ccccc3)C2)n1 431469838 FQCOHXGLZORUAE-QGZVFWFLSA-N 277.371 3.646 30 20 CHED C=C(C)CN(CC)Cc1nc2ccc(F)cc2s1 432745696 VUIVWDOOLVNRQC-UHFFFAOYSA-N 264.369 3.833 30 20 CHED C=CCOc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1Cl 435768634 QZHUVSPCMREWMO-BETUJISGSA-N 295.810 3.514 30 20 CHED N#C[C@@H](NC(=O)C1C[C@H]2CCC[C@H](C1)C2)C1CCCCC1 436029540 GDBCPNOVKWGZOG-GRDNDAEWSA-N 288.435 3.791 30 20 CHED C=CCC[C@@H](NC[C@@H](C)Oc1ccccc1F)C1CC1 438988277 CKSBAKCGCUIEKY-CZUORRHYSA-N 277.383 3.927 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC(C)(C)CC(C)(C)C1 442941308 WIOLBABUDCDLLD-INIZCTEOSA-N 251.414 3.873 30 20 CHED C=CCN(Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1 443064007 OGYUUZDECPOQEJ-UHFFFAOYSA-N 281.281 3.621 30 20 CHED C=CCOCCCc1nc(-c2cc3cc(C)ccc3o2)no1 445757992 MFDQCVUMTKPPEY-UHFFFAOYSA-N 298.342 3.926 30 20 CHED C[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 448523383 YNLHRGRQBPUNAI-CYBMUJFWSA-N 297.320 3.669 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C(F)(F)F)cc1 451606240 MVZFTBZBVSASQD-GDLCADMTSA-N 285.309 3.700 30 20 CHED CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl 452057536 VYUMTGQKIJFOEL-HZPDHXFCSA-N 292.810 3.649 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N1CCC[C@]3(CCSC3)C1)CC2 453345580 FHUYFMDSJOSKQR-ROUUACIJSA-N 298.455 3.765 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OCC(F)F)cc1 454911625 UDLPBFNAIQKDRC-UHFFFAOYSA-N 298.333 3.664 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)C(C)(C)C)cc1C#N 456126056 MDZOYPKFZVPSNH-UHFFFAOYSA-N 274.364 3.720 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)[C@@H](C)C(C)C 458806691 CUUPBMDZWKFRKP-ZDUSSCGKSA-N 254.418 3.665 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OC)c(SC)c1 459645947 BETVMGQTZMBXKN-UHFFFAOYSA-N 294.420 3.847 30 20 CHED Cc1cc(C)c2cc(CNCC(C)(C)CC#N)[nH]c2c1 459725476 CNIPGUPWEWLCKE-UHFFFAOYSA-N 269.392 3.814 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@H]1C 460558273 XLJMMALNZVZLDY-CQSZACIVSA-N 282.391 3.510 30 20 CHED C[C@@H](C(=O)NCc1ccccc1Cl)c1cccc(C#N)c1 461722186 BAQHFHJFCQATDT-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C[C@H](C(=O)N1CCC[C@@H]1C1CCCC1)c1cccc(C#N)c1 461930995 KMHYQLVWZRCKKM-KBXCAEBGSA-N 296.414 3.843 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1ccc(C#N)c(F)c1 464648149 LSAVXLRAVDRBPH-LLVKDONJSA-N 262.328 3.708 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1OCC 466385989 MKXTZDJVGJQUFT-LBPRGKRZSA-N 262.353 3.562 30 20 CHED CC(C)(C)c1ncc(CNCCc2cccc(C#N)c2)s1 466426044 RAUZHPBERJTILG-UHFFFAOYSA-N 299.443 3.645 30 20 CHED C=CCCN(C)C(=O)c1cc(CC)c(CCC)s1 467084798 ZUYKDUGVAMNFHY-UHFFFAOYSA-N 265.422 3.911 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 467412648 JBRPCDPTLCUCAG-ZIAGYGMSSA-N 298.430 3.978 30 20 CHED C=CCCOCCN[C@@H]1CC(C)(C)c2cc(OC)ccc21 474059057 WYAAVCKAICHVAI-QGZVFWFLSA-N 289.419 3.600 30 20 CHED N#Cc1cccc(OCCCNc2cc(F)cc(F)c2)c1 477581647 TVXIACPGXMTXQZ-UHFFFAOYSA-N 288.297 3.717 30 20 CHED N#CCCN(CCOc1ccc2ccccc2c1)CC1CC1 478041491 MXPHXARJNCLBPQ-UHFFFAOYSA-N 294.398 3.844 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2ccc(OC)cc2)CCC1 481326454 VRRIMBJTPHDIPS-UHFFFAOYSA-N 287.403 3.542 30 20 CHED COc1c(Cl)cccc1NCc1cc(C#N)ccc1F 486117970 GZEMAWYJOSZPAF-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCN1CC[C@H](Nc2cccc(-c3ccccc3)c2)C1=O 488411293 OJWJOYCYCMWRKO-SFHVURJKSA-N 292.382 3.552 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1CCCc1ccccc1 488572853 LOZPRJJEKMTMMY-KRWDZBQOSA-N 286.419 3.759 30 20 CHED C=CCC(C)(C)CNC(=O)CCOc1ccccc1Cl 489883409 LFQZHORQWOBRIZ-UHFFFAOYSA-N 295.810 3.827 30 20 CHED CCOc1ccc(CN(CCC#N)CC(C)(C)C)cc1F 494926230 WYBXKZIZRDLBRJ-UHFFFAOYSA-N 292.398 3.986 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H]1CSc2ccccc21 495214006 ZHUGOWYPKJYEBB-GXTWGEPZSA-N 288.416 3.584 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N(C)CC(C)(C)C#N 497387388 KEVDDHGJHTUEKO-OAHLLOKOSA-N 286.419 3.654 30 20 CHED Cc1ccc(C#N)c(N2C[C@H](c3ccccc3)C(C)(C)C2)n1 500279295 DXNVULMKXTXVBJ-QGZVFWFLSA-N 291.398 3.892 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C 501796292 PJUVBUJZVXFNRH-NEPJUHHUSA-N 294.345 3.638 30 20 CHED C=C(C)CCN(C)Cc1cc(Br)ccc1F 509277517 UUIBUHVCUCGWBP-UHFFFAOYSA-N 286.188 3.986 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@H]2C[C@H]12 515125999 TYSAOXVIJAJOIP-KKUMJFAQSA-N 297.402 3.755 30 20 CHED C=CCN(c1nnc(C2CCCC2)n1CC(=C)C)C1CC1 521323661 BXIWWANHUPFSML-UHFFFAOYSA-N 286.423 3.667 30 20 CHED Cc1cc(C)c(C#N)c(SCc2ccccc2N(C)C)n1 524987652 UOUCVOPCZJDJFJ-UHFFFAOYSA-N 297.427 3.928 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccnc(C)c1 527533708 LYGLDDHMHRBCAO-UHFFFAOYSA-N 279.387 3.674 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2[C@@H](C)[C@H]2C2CC2)n1 528966880 OHBPSUAIHSOFQA-PCGAWMICSA-N 288.416 3.735 30 20 CHED Cc1ccc(Oc2ccc(NC(=O)[C@H](C)C#N)cc2)cc1 531049132 ASWBMRVGUGJDGF-CYBMUJFWSA-N 280.327 3.886 30 20 CHED CC[C@H](CNCc1cccc(C#N)c1)Oc1ccccc1C 531206061 DXAGXTVTHIUBKH-GOSISDBHSA-N 294.398 3.814 30 20 CHED CC[C@H](CC1CCCC1)C(=O)Nc1cc(CC#N)ccn1 531924546 HJDBQJHYJYPSBI-OAHLLOKOSA-N 285.391 3.693 30 20 CHED Cc1cn(CC(=O)Nc2c(C)cccc2C(C)C)cc1C#N 532089515 GQDGYIJSPDJXSD-UHFFFAOYSA-N 295.386 3.739 30 20 CHED CN1Cc2ccccc2[C@H](Nc2ccc(C#N)c(Cl)c2)C1 535264718 GWIHLZISSUGYEW-QGZVFWFLSA-N 297.789 3.810 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CC#N)CC1 541916686 YWUVMQUGMZYKRL-HZPDHXFCSA-N 291.439 3.681 30 20 CHED N#CCC1CCN(C(=O)CCCC2CCCCC2)CC1 542908380 SBTNVWFMQXNEEM-UHFFFAOYSA-N 276.424 3.889 30 20 CHED COc1c(C)ccc(NCc2cccc(C#N)c2F)c1C 543162344 HDLIPGHVXHHROB-UHFFFAOYSA-N 284.334 3.935 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC=CC[C@H]1C 551520426 GOIBSIRWCJGAGH-CRAIPNDOSA-N 299.414 3.812 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1nnn(-c2ccccc2)c1C 556218644 XSVZVGDXCBSUQL-CQSZACIVSA-N 298.434 3.829 30 20 CHED C=C(CC)COc1ccn(Cc2ccccc2)c1C(=O)OC 559948617 VYXUHRXTVZVGIU-UHFFFAOYSA-N 299.370 3.668 30 20 CHED C[C@@](C#N)(NC(=O)CCCC(F)(F)F)C1CCCCC1 560725728 IKVGYVZEOKNQTE-ZDUSSCGKSA-N 290.329 3.698 30 20 CHED N#Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)ccc1Cl 565004879 MHJYTQMNIONFFT-NHYWBVRUSA-N 288.778 3.616 30 20 CHED N#CC1(CCOc2ccc3cncnc3c2)CCCCC1 565706492 DMERMBKZQBNTNW-UHFFFAOYSA-N 281.359 3.873 30 20 CHED CCc1ccccc1CNC(=O)Nc1scc(C)c1C#N 571622685 YZNWDAFTJWPNJZ-UHFFFAOYSA-N 299.399 3.812 30 20 CHED C=CCCCCSCc1cc(=O)n2cccc(C)c2n1 574668611 WRDHSOTYMPAARL-UHFFFAOYSA-N 288.416 3.592 30 20 CHED CCN(C(=O)C[C@@H]1C[C@H]1C)[C@H](C)c1ccc(C#N)cc1 575223379 VTEMUGQSBNMRLS-IOASZLSFSA-N 270.376 3.514 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)cn1 578024369 VXYBXWFHBUHVLG-GOSISDBHSA-N 291.398 3.721 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2scc(C)c2C#N)CC1 580960909 ZHGGWQTUHNNULF-GFCCVEGCSA-N 291.420 3.972 30 20 CHED C=CCCCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 581052936 SBYIDRVWDIPJIN-JKSUJKDBSA-N 291.460 3.843 30 20 CHED C=CCCCCSc1nnc(-c2ccoc2C)n1C 584820805 BBPYCXKZSHBCFV-UHFFFAOYSA-N 277.393 3.832 30 20 CHED CC(C)Oc1ccc(NC(=O)CCCCCC#N)cc1C#N 588162088 JQIHCSSOEHVABX-UHFFFAOYSA-N 299.374 3.758 30 20 CHED N#CCCCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 588166017 GFNKCNWBRDECHV-LSDHHAIUSA-N 290.794 3.786 30 20 CHED Cc1cccc(Cc2noc(CCCCCC#N)n2)c1 589083027 BANOJHSKXNMKMX-UHFFFAOYSA-N 269.348 3.595 30 20 CHED Cc1ccc(F)c(-c2noc(CCCCCC#N)n2)c1 589147384 CEDMROMZKQHVBN-UHFFFAOYSA-N 273.311 3.811 30 20 CHED CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1 590778421 AXRLWIQOPBDHAB-ZWKOTPCHSA-N 277.371 3.681 30 20 CHED CN(Cc1ccsc1)Cc1cn2ccccc2c1C#N 590805799 LIAOHOLTBOBMJX-UHFFFAOYSA-N 281.384 3.504 30 20 CHED CN(CCCc1ccccc1)[C@@H](C#N)c1ccccc1 595295913 HLCPZXLIFGERHK-SFHVURJKSA-N 264.372 3.816 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1cc(C2CC2)no1 595296877 NFFRQTFJSAOYFF-UHFFFAOYSA-N 293.370 3.612 30 20 CHED Cc1cccc([C@@H]2CCCN2CCc2ccc(C#N)cc2)n1 595346926 YKGMHROSPOJKHZ-IBGZPJMESA-N 291.398 3.641 30 20 CHED C[C@@H](c1ccc(F)cc1F)N1CCC[C@H](CC#N)C1 595612408 WKRBTJPFLUABPL-NWDGAFQWSA-N 264.319 3.651 30 20 CHED Cc1csc(-c2cc(C#N)cc(N3CCCC3)c2)n1 596634609 MDSZWEFFJHCHRG-UHFFFAOYSA-N 269.373 3.590 30 20 CHED CC(C)CN(C(=O)CC#N)[C@@H](C)c1ccccc1Cl 597842772 PXSVBYCFZGTFJU-LBPRGKRZSA-N 278.783 3.799 30 20 CHED CC(C)CCc1ccc(NC[C@H](O)CC(C)(C)C#N)cc1 598726215 PPKUSUXRLVTYBE-QGZVFWFLSA-N 288.435 3.988 30 20 CHED C[C@@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)C(F)(F)F 598885963 AAWMEZVUVQKQRT-JTQLQIEISA-N 296.292 3.642 30 20 CHED CCC[C@@H](CN[C@H](CC)c1ccc(C#N)cc1)OCC 599062510 XQWFKFAJQXUNQY-DLBZAZTESA-N 274.408 3.804 30 20 CHED Cc1ccc(C(C)(C)CNc2ccc(F)cc2C#N)nc1 599136922 DIUVCGILYUTUOV-UHFFFAOYSA-N 283.350 3.791 30 20 CHED CC[C@H]1Cc2c(cccc2-c2ccc(C#N)cc2)CN1 600777686 RUWULNDMEMDTHG-INIZCTEOSA-N 262.356 3.650 30 20 CHED C=CCn1c(S[C@H](C#N)C2CC2)nnc1-c1ccccc1 601070411 PHCUQZRGFQUWAJ-CQSZACIVSA-N 296.399 3.525 30 20 CHED Cc1cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cs1 601875854 FUUQGWJSGWQFBG-NSHDSACASA-N 284.384 3.746 30 20 CHED Cc1ccc(OC2CCN(C[C@@H](C)CCC#N)CC2)cc1 602446072 ZEDPKKLEWMCTJC-INIZCTEOSA-N 286.419 3.778 30 20 CHED C[C@H](CCC#N)CN1CCC(OC2CCCCC2)CC1 602454313 QGTFPXDEGSCNRF-OAHLLOKOSA-N 278.440 3.740 30 20 CHED C=C(C)CSCCCOc1ccc([N+](=O)[O-])cc1 604065045 AEKBQJCQYBTXLQ-UHFFFAOYSA-N 267.350 3.673 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 608960603 QXSYERIAZDQLOC-MGPQQGTHSA-N 264.413 3.647 30 20 CHED N#Cc1ccc(/C=C\c2nc(-c3cccs3)no2)cc1 609473985 PAMJKJSELXRBCV-FPLPWBNLSA-N 279.324 3.840 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)c1cc2occc2s1 609854807 GNGRFIWYCMUGRG-UHFFFAOYSA-N 296.351 3.638 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@H](CC)c1ccc(C)cc1 609990375 KPJITDSJKMQWSA-HOCLYGCPSA-N 272.392 3.687 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 610138495 JYRYSDMMURHNJW-JJRVBVJISA-N 299.418 3.887 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(F)cc1C#N 610280236 JUPBXIHRNJDLQL-DLBZAZTESA-N 266.319 3.839 30 20 CHED CCC(CC)N(C(=O)N[C@@H](C)c1cccc(C#N)c1)C1CC1 610530980 KBSNNJKUZGTTGH-ZDUSSCGKSA-N 299.418 3.982 30 20 CHED N#CCCCNCc1ccc(OCc2cccc(F)c2)cc1 612194930 RENMDSVFHZDPOQ-UHFFFAOYSA-N 298.361 3.798 30 20 CHED C=CCCNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 617612766 NKIJTHJSJRLCEU-ZDUSSCGKSA-N 283.371 3.644 30 20 CHED Cc1noc([C@H](C)SCCCCC(C)(C)C#N)n1 618109637 OOWSESRNJNUTTO-JTQLQIEISA-N 267.398 3.892 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc3ccncc23)C1 618574056 MNSWWIRVRHKIGC-TZMCWYRMSA-N 251.333 3.729 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2cccc(F)c2)CCCC1 619108097 PBPFGRYLUIQPQU-ZDUSSCGKSA-N 275.367 3.934 30 20 CHED Cc1cscc1C(=O)NCc1ccc(C#N)c(Cl)c1 619764276 NJYVRBCIJZZILF-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C=CCN(C(=O)COC/C=C/c1ccccc1)C(C)(C)C 622944166 HSAYYOVCRXMTMO-FMIVXFBMSA-N 287.403 3.530 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(C(F)(F)F)c(F)c1 626623704 KGZWJDXJAXQUMH-SSDOTTSWSA-N 276.233 3.541 30 20 CHED CCCCN(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 641863352 SXMMRYXOBLRRQD-UHFFFAOYSA-N 291.394 3.959 30 20 CHED C=CCCCCNC1(c2ccc(OC)cc2)CCOCC1 649379808 LABOSGGEVSXFAF-UHFFFAOYSA-N 289.419 3.647 30 20 CHED C=CC[C@@H](C)NCc1cn(-c2cccc(C)c2)nc1C 651713504 SPIXSQTUWANXSE-CQSZACIVSA-N 269.392 3.543 30 20 CHED C=CCCc1noc([C@H]2CCCc3ccc(OC)cc32)n1 656023456 CRSRGNCSGVVSKA-AWEZNQCLSA-N 284.359 3.665 30 20 CHED C=CCCCC[C@H](C)NCC1CCN(CC2CC2)CC1 658353726 QLWGDWMVXMGQDT-INIZCTEOSA-N 278.484 3.833 30 20 CHED C=CCCNC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 665946403 XRAWQDHKFUKICX-KRWDZBQOSA-N 297.402 3.981 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2C[C@@]2(C)c2ccccc2)c1 680375519 OUXAALQBXYRHQP-OALUTQOASA-N 290.366 3.903 30 20 CHED C=CCC1(C(=O)NCc2ccccc2N2CCCC2)CCC1 682884022 VUGSLCRANYXYAT-UHFFFAOYSA-N 298.430 3.649 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCc2ccccc21 685543801 HSWYYZMCLSDDFY-ZDUSSCGKSA-N 282.391 3.672 30 20 CHED N#CC1(NC(=O)/C=C\c2ccc(Cl)cc2)CCCCC1 700855443 OCWNIAIHMTZJJA-TWGQIWQCSA-N 288.778 3.696 30 20 CHED C=CCOc1cccc(C=NNc2cccc(OC)c2)c1 725855291 PZKARFFKRQSBFF-UHFFFAOYSA-N 282.343 3.706 30 20 CHED C=CCCOC(=O)CCOc1ccc(Cl)c(Cl)c1 729073334 QXPFZOQBVKIHTE-UHFFFAOYSA-N 289.158 3.882 30 20 CHED C#CCN(C(=O)C[C@H]1CCc2ccccc21)C1CCCCC1 734391075 VXSYXEVGXTYMMM-QGZVFWFLSA-N 295.426 3.901 30 20 CHED C=CCCCOC(=O)COc1ccc(C(F)(F)F)cc1 735530865 RCNKTYJPIPWCJA-UHFFFAOYSA-N 288.265 3.594 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 736245140 JORLVMNDIXTXAG-ZDUSSCGKSA-N 295.810 3.754 30 20 CHED CCCCC(COC)=NNc1ccc(Cl)c(C(=O)O)c1 737415732 GYQKOCZZQHTKED-UHFFFAOYSA-N 298.770 3.643 30 20 CHED C=CCCOC(=O)c1cc(Cl)nc2ccccc12 740199025 LJAYQCOQRGIEGJ-UHFFFAOYSA-N 261.708 3.621 30 20 CHED CCCCCCCN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 740877220 HBPUPMZSJORNEJ-INIZCTEOSA-N 296.499 3.831 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cc3cc(F)ccc3o2)c1 741758216 ZBNWJOYAQKKDNI-UHFFFAOYSA-N 299.261 3.926 30 20 CHED CCCCCC[C@](C)(CC)C(=O)N(C)C[C@H](C)C#N 742572789 GLRBCPYKNYRESE-ZBFHGGJFSA-N 266.429 3.991 30 20 CHED CC(Cc1ccccc1C)=NNc1cccc(C#N)c1 743434658 XJDVGYZYFICFCO-UHFFFAOYSA-N 263.344 3.897 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc2c(c1)COC2 743435700 KUAMTJWNJJKZSU-CYBMUJFWSA-N 280.371 3.792 30 20 CHED Clc1ccc(NN=Cc2cccc3cccnc23)cn1 743449990 JOALQYQVEBDZJY-UHFFFAOYSA-N 282.734 3.729 30 20 CHED N#CCC1(COC(=O)CCCC2CCCCC2)CC1 744277408 JQBJLKVUZLIDKW-UHFFFAOYSA-N 263.381 3.974 30 20 CHED Cc1cc(F)cc(C(=O)OCc2ccc(C#N)cc2F)c1 745567256 XDPOGWIYUYREPD-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C=C(Cl)COC(=O)[C@H](C)CCc1cccc(F)c1 745583726 NEVANBDSLIRJSR-SNVBAGLBSA-N 270.731 3.690 30 20 CHED FC(F)(F)c1ccc(CON=Cc2cccnc2)cc1 746575613 FLPFJWLMSJLZPO-UHFFFAOYSA-N 280.249 3.651 30 20 CHED O=C(O)c1ccc(NN=C/C=C/c2ccc(F)cc2)cc1 747735680 HNSHIUXMHDTIOX-ZMNMEELTSA-N 284.290 3.635 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1coc2ccccc12 747763189 JZPBCWVLLNGMSD-UHFFFAOYSA-N 289.338 3.818 30 20 CHED C=C(C)COC(=O)C[C@H](C)c1ccc(F)cc1F 751861903 VBCBBUKYVWZVLT-JTQLQIEISA-N 254.276 3.578 30 20 CHED Cc1cc([C@H](C#N)C(=O)C[C@H]2CCCCC2(C)C)nc(C)n1 752477674 KCSDTLMDYNASFR-CABCVRRESA-N 299.418 3.876 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C/c1ccc(C(C)(C)C)cc1 753428269 KUFXDWVKBIIAJM-SHQCLWGWSA-N 271.360 3.843 30 20 CHED CCCCCCCCCC(=O)N1CCOC[C@@H](C)C1 754203395 UOUHFMJFRDJWME-HNNXBMFYSA-N 269.429 3.622 30 20 CHED CC[C@@H](C)c1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 755287974 QTZUUFQJGZEVGU-GFCCVEGCSA-N 279.343 3.719 30 20 CHED Cc1cc(C=NO[C@@H]2CCCCO2)c(OC(F)F)cc1C 755813391 FRKZSIUWFQMWQT-CQSZACIVSA-N 299.317 3.782 30 20 CHED Cc1ccc(CC(=NO[C@H]2CCCCO2)C2CC2)cc1 755816793 WGPKDGUYXVWVRG-KRWDZBQOSA-N 273.376 3.847 30 20 CHED C=CCC[C@@H](NCc1c(Cl)oc2ccccc12)C(=O)O 756382029 XZNSMZDHLZYKAU-GFCCVEGCSA-N 293.750 3.595 30 20 CHED C[C@H](NC(=O)c1cc(Cl)cs1)c1cccc(C#N)c1 757971784 AZOJXVASSAGELN-VIFPVBQESA-N 290.775 3.764 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1ccccc1Cl 759349676 PHTCCCOBJSQRFJ-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=C(C)COCCNCc1cc(C)c(OC(F)F)c(C)c1 761988198 XDPOHNTXKUGGSI-UHFFFAOYSA-N 299.361 3.587 30 20 CHED CS/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 764223104 PMQFDISTNQVSOE-CYNONHLPSA-N 292.429 3.560 30 20 CHED CC(C)(CC#N)COC(=O)c1[nH]c2ccccc2c1Cl 764834837 SJOAENQFCBPQGC-UHFFFAOYSA-N 290.750 3.918 30 20 CHED CC(=NOCC(F)(F)F)c1cccc(Cl)c1 764834847 GMBARRANFFVSJJ-UHFFFAOYSA-N 251.635 3.643 30 20 CHED Clc1cccc(Cl)c1NN=CC[C@H]1CCOC1 765583578 JTPZMXFZPPUVRZ-VIFPVBQESA-N 273.163 3.818 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(C#N)c(C)c2)c1 766482437 ALMQIHQGRJCXIM-CLFYSBASSA-N 277.323 3.771 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ccc([N+](=O)[O-])cc1 767017258 SJHILUPPTZVWSS-UHFFFAOYSA-N 299.330 3.748 30 20 CHED Cc1cc(NN=C2C[C@@H](c3ccccc3)C2(C)C)ncn1 768485644 UKOQCXBMVJRVGD-AWEZNQCLSA-N 280.375 3.767 30 20 CHED C#CCCOc1ccc(CN[C@H](C)CCC2CC2)cc1 768953325 QKQHHIJLFSXYNG-OAHLLOKOSA-N 271.404 3.757 30 20 CHED C=C(C)[C@@H](NC(=O)/C=C/C=C\C)c1ccc(F)c(F)c1 772330334 ABTQKBCSRBHTRM-CZVADKOMSA-N 277.314 3.831 30 20 CHED CC(C)[C@@H](CC(=O)OCC1(C#N)CC1)c1ccccc1 775855335 OIYFGPRWROATEO-OAHLLOKOSA-N 271.360 3.663 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)OCC1(C#N)CC1 775874161 HLXCWDQREPIKAG-YRNVUSSQSA-N 275.735 3.590 30 20 CHED C[C@@H](COc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1 776160579 OWOMHORPFMBECW-GJZGRUSLSA-N 280.371 3.676 30 20 CHED C=CCSc1ccccc1C(=O)OCCCSC 777077759 YQVJLOSJJYQANC-UHFFFAOYSA-N 282.430 3.875 30 20 CHED C#CCCCCCC(=O)N1CCN(C2CC2)c2ccccc21 778251774 DJBIVRZCRMPFFY-UHFFFAOYSA-N 296.414 3.586 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2cc(C#N)cs2)[C@@H]1C 779270935 SIPWWHSZVYMCQE-CKYFFXLPSA-N 263.362 3.601 30 20 CHED C#CCCOc1ccc(CNc2cccc(C#N)c2C)cc1 779597674 CQIUWMZTSYOQJL-UHFFFAOYSA-N 290.366 3.881 30 20 CHED COc1cccc(NN=C(C)c2ccc(F)cc2Cl)n1 779817951 VPHWRIADFWGQCS-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1OC(C)C 779845299 VQJGABGAXWZQFZ-UHFFFAOYSA-N 273.376 3.996 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C(C)=C(\C)CC 779975823 FHEJCEGXCNSHAP-OUKQBFOZSA-N 250.386 3.712 30 20 CHED CC[C@@H]1CCC[C@@H](C=NN[C@H]2CCOC(C)(C)C2)C1 780252538 JWQDQLNURKEHRU-KFWWJZLASA-N 266.429 3.736 30 20 CHED CC1(C)C[C@@H](NN=C(Cc2ccccc2)C2CC2)CCO1 780252935 YSNGWRFVDASTCF-INIZCTEOSA-N 286.419 3.542 30 20 CHED C/C(C=NNc1ncncc1Cl)=C\c1ccccc1 780281886 XJSFHMYCLJXBFR-DDHLRQTOSA-N 272.739 3.631 30 20 CHED N#CC1(COC(=O)[C@H]2CCCc3ccccc32)CCCC1 780531125 WIBMQDMVVIHWMA-INIZCTEOSA-N 283.371 3.734 30 20 CHED C=CCC[C@H](C)OC(=O)c1c[nH]nc1-c1ccsc1 781322706 NCMIVNUOORDIHI-JTQLQIEISA-N 276.361 3.650 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(Cl)nc(Cl)c1 785997767 SBNPCUJMCOSZPZ-LLVKDONJSA-N 271.191 3.929 30 20 CHED N#Cc1cccc(COC(=O)c2csc(Cl)c2)c1F 786353322 JSACUPBDMFGLHH-UHFFFAOYSA-N 295.722 3.769 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1F)c1cncs1 787171801 CSCRWCHDGGHBSE-HSFFGMMNSA-N 277.295 3.874 30 20 CHED CCCCNN=Cc1cc(Br)c(Cl)s1 790158052 LLSMFNPHCDSUMU-UHFFFAOYSA-N 295.633 3.888 30 20 CHED C[C@@H](NN=Cc1nccn1-c1ccccc1)c1ccccc1 790159442 GBSJDDNROWEDHF-OAHLLOKOSA-N 290.370 3.557 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1 794720347 QBNPJDOCRFZTGO-YVMONPNESA-N 271.291 3.516 30 20 CHED FCC[C@H]1CCCC1=NNCc1cccc(Cl)c1 794919114 PCQRAPHRPOWVDY-GFCCVEGCSA-N 268.763 3.945 30 20 CHED CC(=NNCc1ccccc1N(C)C)c1ccc(C)s1 794953210 YMMFPLYFDJADFJ-UHFFFAOYSA-N 287.432 3.636 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C\c1ccsc1)C2 794960800 IJKVEOFBNZXCCS-XGICHPGQSA-N 286.352 3.588 30 20 CHED C/C(C=NNc1ncccc1F)=C\c1ccccc1 794993319 LXUCRENOXSHYGB-ULPVHAHSSA-N 255.296 3.722 30 20 CHED Fc1cccc(NN=Cc2c(Cl)cccc2Cl)n1 795006401 HBHNCXPLHONOTL-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C=CCC(=NNc1cccc(F)n1)c1ccc(F)cc1 795009649 GKPITQQWJIMLSZ-UHFFFAOYSA-N 273.286 3.752 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 796871227 DXJSDEBNWNIGOZ-HLPPOEQASA-N 263.381 3.828 30 20 CHED CC[C@H](C)CCC(=O)O[C@@H](C)c1cccc(C#N)c1 796961308 GVDBSRYSYPPWJN-STQMWFEESA-N 259.349 3.989 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\CCCCc2ccccc2)c1 798068800 XEFUQOWQWMBWAM-AQTBWJFISA-N 298.342 3.742 30 20 CHED CCCCCCCCNC(=O)N1CCCO[C@H](CC)C1 798444793 XWVIYSABDJMJMQ-OAHLLOKOSA-N 284.444 3.557 30 20 CHED Cc1ccc(C(=O)Nc2cccc3cc[nH]c23)cc1C#N 799370763 WRVQXPKTHWEVCF-UHFFFAOYSA-N 275.311 3.600 30 20 CHED Cc1cccc(F)c1NN=C1CCCC12CCOCC2 799886190 VWUDMMPYDNAICU-UHFFFAOYSA-N 276.355 3.883 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(N(C)C)cc2)c1F 799890670 UJRUWTMOYSRPQR-FMIVXFBMSA-N 299.345 3.796 30 20 CHED CSc1ccccc1[C@@H](C)OC(=O)c1ccc(C#N)cn1 800025019 ZLDKNLXFXLWVHY-LLVKDONJSA-N 298.367 3.593 30 20 CHED C#CCC1(C(=O)Nc2nccc3ccncc23)CCCCC1 801695704 HSJUSCBAABCRSJ-UHFFFAOYSA-N 293.370 3.542 30 20 CHED C#CCOc1ccc([C@H](C)NCC(C)(C)CCC#N)cc1 806177606 DNKDKBWNAROMPJ-HNNXBMFYSA-N 284.403 3.679 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCC1=CCCOC1 806498400 ACLONLZQZPOCRA-HNNXBMFYSA-N 296.455 3.629 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)C1CCSCC1 807990055 SOBLNOWXVZSFGP-UHFFFAOYSA-N 293.392 3.834 30 20 CHED C#Cc1ccc(CNCc2cccc(Cl)c2F)cc1 809624577 OIGHMIRDAYSWHW-UHFFFAOYSA-N 273.738 3.750 30 20 CHED C#C[C@H](N[C@H](C)CCc1ccc(F)cc1F)C(C)C 809685278 LDAOPEFFFRIJIE-WBMJQRKESA-N 265.347 3.533 30 20 CHED C=CC[C@@H](C(=O)OCc1cccnc1C)c1ccccc1 810884376 LJNTYAADHOSZBT-QGZVFWFLSA-N 281.355 3.793 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C)ccc2OC)cc1O 811699437 UMRHSICJRHOIPY-FNORWQNLSA-N 298.338 3.614 30 20 CHED Cc1ccc(C2CC(=NOCCOC(C)C)C2)cc1 812239209 OERHMWQLRMUAHU-UHFFFAOYSA-N 261.365 3.670 30 20 CHED Oc1ccc(/C=N\[C@@H]2CCCCC23CCCC3)c(O)c1O 812445473 XTEWAKBASWOYBQ-JVVDOCDTSA-N 289.375 3.725 30 20 CHED N#CCCCC(=O)OCc1ccc(Cl)c2cccnc12 812619190 ZQJMZDSIFCFKRF-UHFFFAOYSA-N 288.734 3.625 30 20 CHED C#CCCCCCC(=O)N1CC2(CCC2)[C@H]1C(C)C 814134658 AXOFNVFSAAXPTN-MRXNPFEDSA-N 261.409 3.607 30 20 CHED CC(C)c1nc(C=NOCCC2CC2)c2ccccn12 814246534 QQGKDMWAMMROQX-UHFFFAOYSA-N 271.364 3.608 30 20 CHED Cc1cccc(NC(=S)NN=C2CC[C@@H]2C2CC2)c1C 814707135 KYKOSGRVVQQPOP-CYBMUJFWSA-N 287.432 3.766 30 20 CHED CON=Cc1sc(Sc2ccccc2)nc1Cl 814795450 DRJXMVXOZRZRGV-UHFFFAOYSA-N 284.793 3.928 30 20 CHED COc1ccc(NN=C(C)c2cccc(CN(C)C)c2)cc1 814885373 XMRSHXYSGNNTJQ-UHFFFAOYSA-N 297.402 3.593 30 20 CHED CC1(C)C[C@H](NN=Cc2ccc(C3CCC3)cc2)CCO1 814908049 GQHZQXGCTOOSPB-QGZVFWFLSA-N 286.419 3.835 30 20 CHED COc1ccc(NN=C2CC[C@H](c3ccccc3)C2)nc1 814909046 HCACDJFLYRPNBC-AWEZNQCLSA-N 281.359 3.826 30 20 CHED Fc1ccccc1C=NNc1ccc(F)c(F)c1F 814946470 NMFAGPHIIDLZDW-UHFFFAOYSA-N 268.213 3.689 30 20 CHED CCOc1ccc(NN=Cc2csc(C3CC3)n2)cc1 814984812 JOMSXAKIWQWCJH-UHFFFAOYSA-N 287.388 3.865 30 20 CHED C=C[C@H](CC)OC(=O)Cc1c[nH]c2cccc(Cl)c12 816004982 WAXQKQUWHCLTNG-LLVKDONJSA-N 277.751 3.872 30 20 CHED N#Cc1cccc(CNCc2ccc3ccccc3c2O)c1 816534524 LPYLZKIXTCWYEG-UHFFFAOYSA-N 288.350 3.707 30 20 CHED C=CCC1(CNC[C@@H](O)c2ccc(F)c(F)c2)CCCC1 819356892 NKHOLSKPBRLHTD-MRXNPFEDSA-N 295.373 3.724 30 20 CHED C#C[C@H](NC(=O)N(CC)C1CCC1)c1ccc(Cl)cc1 820573720 ZQKYSPSXWICTHG-HNNXBMFYSA-N 290.794 3.598 30 20 CHED C=CCC1(CNC(=O)/C=C/c2ccc(C)nc2)CCCC1 836991516 VEYMZYJAGPFNFQ-CMDGGOBGSA-N 284.403 3.656 30 20 CHED COc1ccc(C(C)(C)C)cc1NC(=O)C#CC(C)(C)C 837308704 NWDZOZOJQXLLJK-UHFFFAOYSA-N 287.403 3.981 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(C2CC2)n1 839057691 NDHBTQNIECIVIP-TZMCWYRMSA-N 284.359 3.507 30 20 CHED C#CCC1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCCCC1 839451426 YLQAVZWKTLADQD-HUUCEWRRSA-N 273.376 3.586 30 20 CHED CC(=O)c1ccc(C(=O)OCCC2(C#N)CCCCC2)cc1 840208843 WEZILMPLZXVVBM-UHFFFAOYSA-N 299.370 3.910 30 20 CHED C=CCC1(C(=O)O[C@H](C)C(=O)c2cccc(F)c2)CCC1 840487242 FZIVCGWDXNAVCO-GFCCVEGCSA-N 290.334 3.687 30 20 CHED CCCCCCCC(=O)N1C[C@H](O)C[C@H]1c1ccccc1 840508316 QHJQBRAQKLAAAF-SJORKVTESA-N 289.419 3.681 30 20 CHED C#CCC(C)(C)C(=O)N(C)c1ccc(-c2nccs2)cc1 841262278 QUUAFVPKDACPAL-UHFFFAOYSA-N 298.411 3.822 30 20 CHED CC(=NNc1ccc(C)cc1Cl)c1cc2n(n1)CCC2 841641915 ZEMXKZJSVTZLMD-UHFFFAOYSA-N 288.782 3.627 30 20 CHED N#CC1(OC(=O)c2csc(C3CCCCC3)n2)CCC1 842320999 VKHWDHPDZHRPHR-UHFFFAOYSA-N 290.388 3.794 30 20 CHED CCCCCCO[C@@H](C)C(=O)OCC1(C#N)CCCC1 842328788 FJDIGDJMIOOCPQ-AWEZNQCLSA-N 281.396 3.599 30 20 CHED CC(=NNc1nccnc1Cl)[C@H]1C[C@H]2C=C[C@H]1CC2 842527145 JFMVWKJEMCOPIH-SDDRHHMPSA-N 276.771 3.520 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)OCC(C)(C)C#N 842755197 SCHGZQWQDCMOMP-CYBMUJFWSA-N 251.370 3.852 30 20 CHED C#CC1CCN(C(=O)/C=C(/C)c2cccc(Cl)c2)CC1 843706617 WKIDZYCXETYHRX-QBFSEMIESA-N 287.790 3.615 30 20 CHED CCc1nc(S[C@@H]2CC[C@H](C#N)C2)sc1C 845326233 JEBSSJQPVZLTJW-VHSXEESVSA-N 252.408 3.798 30 20 CHED N#CCOc1cc(F)ccc1NCc1cccc2c1CCC2 845950344 IYHLOGUUDFIVJB-UHFFFAOYSA-N 296.345 3.829 30 20 CHED N#CCC1(OC(=O)c2ccc(C(F)F)cc2F)CCC1 847705501 WADWMUFKHRJCDM-UHFFFAOYSA-N 283.249 3.756 30 20 CHED CC[C@@H](COC(=O)[C@@]1(C#N)CC12CCCC2)CC(F)F 849791106 KHPWLBUAGAHXMS-ABAIWWIYSA-N 285.334 3.685 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccco1 851100478 JMEQQMYQVJJCMP-MQGYJPLLSA-N 298.367 3.893 30 20 CHED COc1ccccc1C=NOC/C=C\c1ccccc1 851931867 FFCIRGRGPWIMFD-LYVGZQGXSA-N 267.328 3.759 30 20 CHED C=C(Cl)CSCCC(=O)Nc1ccccc1C 853784246 ZUUMVQUZOWHRNU-UHFFFAOYSA-N 269.797 3.809 30 20 CHED C=CCN(C(=O)/C=C/c1cccc(OCC)c1)C(C)C 859190583 UZAJUAHRJCBSFS-ZHACJKMWSA-N 273.376 3.522 30 20 CHED COc1ccnc(C(=O)/C=C/c2cnc(C(C)C)s2)c1 863194344 FTCIALBKARNNCI-SNAWJCMRSA-N 288.372 3.566 30 20 CHED C=CCCCCCCCCNC(=O)C1(F)CCOCC1 868359920 QSTWTBNPEHMUKL-UHFFFAOYSA-N 285.403 3.538 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 875537188 WFBANWJXSPLGKG-COJSNBRMSA-N 298.386 3.742 30 20 CHED C=CCCC[C@H](NC[C@H](C)CCO)c1ccccc1 883194281 RQYILSDSZIWZJQ-WBVHZDCISA-N 261.409 3.692 30 20 CHED C=CCCC[C@H](NCCn1cnnc1CC)c1ccccc1 883194312 SRIKPNFDRGVXRA-KRWDZBQOSA-N 298.434 3.528 30 20 CHED C=CC(C)(C)CC(=O)OCc1cncn1Cc1ccccc1 884649591 IWXBIZURVFQCPX-UHFFFAOYSA-N 298.386 3.577 30 20 CHED C=C1CCC(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1 888808061 MQIJPLXBGLVHCP-UHFFFAOYSA-N 298.386 3.646 30 20 CHED CC(C)[C@H](Nc1ccc(C#N)cc1Cl)c1cnn(C)c1 896422027 GCQBWXOFGQNKHC-HNNXBMFYSA-N 288.782 3.754 30 20 CHED COC1(CNC2CCC(C)(C#N)CC2)CCCCCC1 898261842 VKIULZBZNGROOS-UHFFFAOYSA-N 278.440 3.788 30 20 CHED O=C(/C=C/c1cnn(CC2CCC2)c1)c1ccccc1 899334021 VXBVQPCWXHILIM-MDZDMXLPSA-N 266.344 3.579 30 20 CHED COc1ccc([C@@H](NCC(C)(C)C#N)C(C)C)c(F)c1 903102315 WALSGQTWMCZOIN-HNNXBMFYSA-N 278.371 3.671 30 20 CHED N#CCCCCOC(=O)c1ccc(-c2ccccc2F)o1 914624626 XEZVLDUEIUBBHV-UHFFFAOYSA-N 287.290 3.936 30 20 CHED COc1ccccc1NC(=S)NN=C1CCC[C@@H](C)C1 915924804 BMVCZIACFGHWAZ-LLVKDONJSA-N 291.420 3.548 30 20 CHED CCOc1cccc(C=Nn2c(CC)nc3ccccc32)c1 915958615 NTUYJRNQSWTTKE-UHFFFAOYSA-N 293.370 3.880 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1c(C)[nH]c2ccccc12 915986842 GGQZVGWDECGWGR-CMDGGOBGSA-N 279.343 3.712 30 20 CHED CCCCOc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1 917517472 GMCZQWFZBHKOGX-DHZHZOJOSA-N 298.386 3.804 30 20 CHED Fc1ccccc1NN=Cc1cnc(-c2ccccc2)nc1 917543582 SFRUATDKIAKVFG-UHFFFAOYSA-N 292.317 3.729 30 20 CHED Cc1cc(NN=Cc2cc(Cl)cc(Cl)c2)nc(C)n1 917544702 DZEWZONZOJMUER-UHFFFAOYSA-N 295.173 3.846 30 20 CHED CCCCCCCCCOC(=O)c1cc(C)no1 919038393 VAMBDBMLPGWKIZ-UHFFFAOYSA-N 253.342 3.890 30 20 CHED CC(C)(C)Oc1ccc(C/N=C\c2cccc(O)c2O)cc1 920480234 BCKXUJYZQOWPLP-UNOMPAQXSA-N 299.370 3.894 30 20 CHED CO[C@H]1CCOc2c(N[C@@H](C)CC(C)(C)C#N)cccc21 926327891 JOJQLFBDOPEMHE-WFASDCNBSA-N 288.391 3.897 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1nc2ccccc2s1 929411158 GQTFMMLJQULVSM-LBPRGKRZSA-N 288.416 3.857 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccn2)C2CC2)c(Cl)c1 932381852 FESKEEOVUHATHT-KRWDZBQOSA-N 297.789 3.848 30 20 CHED CC(CCC1CC1)=NNc1cncc(Br)c1 1116615809 NQYVQLULZKGWLI-UHFFFAOYSA-N 282.185 3.822 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(C)(C)C)nn2)C[C@H]1C 1116635310 SYCGAARZYOORIJ-NWDGAFQWSA-N 274.412 3.998 30 20 CHED C=CCC(C)(C)c1nnc(Cc2ccccc2C)o1 1118377100 RINWYNNIHGSWRQ-UHFFFAOYSA-N 256.349 3.823 30 20 CHED C=CCC1(NC(=O)CCCC(=O)OC(C)(C)C)CCCC1 1118790575 FAWLFXAPIYJILE-UHFFFAOYSA-N 295.423 3.504 30 20 CHED CC(C)(C)C[C@@H]1CCN(c2ncc(C#N)cc2Cl)C1 1163519868 VQYGQVFLIAYLKG-NSHDSACASA-N 277.799 3.869 30 20 CHED N#Cc1ccc(CCSc2ncc3ccccn23)cc1 1164550923 AUXDLVXQKUMENW-UHFFFAOYSA-N 279.368 3.541 30 20 CHED C[C@@H]1CCN(CC2(CC#N)CC2)CC12CCCCC2 1193636644 KQXNCNAKNHGJPX-OAHLLOKOSA-N 260.425 3.973 30 20 CHED CC1(C(=O)O[C@H](CC#N)c2ccco2)CCCCC1 1263660580 KACGJGYPMYNKIJ-CYBMUJFWSA-N 261.321 3.748 30 20 CHED COC(=O)c1ccoc1CSc1ccc(C#N)c(C)c1 1307362085 QYNQLIHDDUZEKC-UHFFFAOYSA-N 287.340 3.539 30 20 CHED C[C@H]1C[C@H](N(C)C[C@@H](C)C#N)c2ccsc2S1 1308625551 JCYPUTFRQWRWAT-NHCYSSNCSA-N 266.435 3.765 30 20 CHED C=CCN(C)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 1320480070 CNBAYLMUSVRXIQ-SNAWJCMRSA-N 270.159 3.651 30 20 CHED Cc1ccc(NN=Cc2cnc([C@H](C)O)s2)cc1Cl 1320994430 MNRBCAJEQMKWRF-VIFPVBQESA-N 295.795 3.604 30 20 CHED N#Cc1cnc(N2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 1321745212 ZGLZXMAXIAGZEF-CHWSQXEVSA-N 275.783 3.623 30 20 CHED C=C(C)[C@H](Cc1nnc(-c2cccc(Cl)c2)o1)OCC 1329262062 LGDUBQQPZHDRCD-ZDUSSCGKSA-N 292.766 3.914 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)OC1CCCCC1 1330987453 GAMMYMDZAKQVLD-CYBMUJFWSA-N 267.413 3.585 30 20 CHED C=C1CCC(C(=O)NCc2cccc(C(F)F)c2)CC1 1331537343 IFPYHWAKUGNSLL-UHFFFAOYSA-N 279.330 3.987 30 20 CHED C=CC(C)(C)c1nnc(COc2ccccc2OCC)o1 1333090339 HUNASCDFCCALRO-UHFFFAOYSA-N 288.347 3.511 30 20 CHED C=C(C)CCC(=O)N1Cc2cccc(Br)c2C1 1335898000 OAJDIXQHIYGPPQ-UHFFFAOYSA-N 294.192 3.648 30 20 CHED N#Cc1cccc(N(C(=O)C2[C@@H]3CCCC[C@@H]23)C2CCC2)c1 1338057165 CALQHRLNPMRMEZ-IAGOWNOFSA-N 294.398 3.880 30 20 CHED CCCCCCCCC/C=C\C(=O)N1C[C@@H]2C[C@@]2(CO)C1 1338655972 KRKHKXOPLGRKJZ-BUIAECPWSA-N 293.451 3.524 30 20 CHED C=CCn1c([C@@H]2CCCC2(F)F)nnc1N(CC)CCC 1339796447 OFTDSXXWBJNZKG-LBPRGKRZSA-N 298.381 3.603 30 20 CHED Fc1ccc(CNN=C2CC(c3ccccc3)C2)cc1 1343880996 ARDKSQNHCVZYOJ-UHFFFAOYSA-N 268.335 3.849 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)[C@H]1CC[C@H](C(C)C)CC1 1344864549 SLRRBGZBLPMPJY-KKUMJFAQSA-N 287.407 3.542 30 20 CHED C=C(CC(C)C)C(=O)N1CCOc2ccccc2[C@@H]1C 1347120408 ALGZWYKABUXNGQ-AWEZNQCLSA-N 273.376 3.571 30 20 CHED C=C[C@H](C(=O)N1CCC(OC2CCC2)CC1)c1ccccc1 1347696537 XXZOVTMNLHXCJF-SFHVURJKSA-N 299.414 3.516 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(C#N)c1 1354292999 VKKVTQDNRMNGEY-OAHLLOKOSA-N 295.386 3.975 30 20 CHED N#Cc1cc(NC(=O)[C@H]2C[C@H]2F)ccc1Oc1ccccc1 1529906447 CTNARNMGCQVEEP-LSDHHAIUSA-N 296.301 3.647 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(F)c(C(=O)O)c1Cl 1588451219 PPIVSMHXSCNNCZ-MRVPVSSYSA-N 299.729 3.718 30 20 CHED CC1(C)CC(=NNc2ccc(C(=O)O)c(Cl)c2)C1 1593842567 PSLVPANDZSTERM-UHFFFAOYSA-N 266.728 3.626 30 20 CHED CCCCn1ncc(NC(=O)CC(C)(C)C#N)c1C(C)C 1618736970 GBKNWYOFJKICKP-UHFFFAOYSA-N 290.411 3.685 30 20 CHED CCCC[C@H](CC)COC(=O)CS[C@@H](C#N)C1CC1 1656237100 LELQCUJNIQYFKE-JSGCOSHPSA-N 283.437 3.781 30 20 CHED CC(C)[C@H]1CCC[C@H]1NCc1ccc(C#N)c(F)c1 1659457850 IPDFBSVAMJNQKT-GDBMZVCRSA-N 260.356 3.612 30 20 CHED CC(C)(C)C1CCC(=NNc2ccc(C(=O)O)nc2)CC1 1776069006 KZSPBHHZIMZFNP-UHFFFAOYSA-N 289.379 3.784 30 20 CHED Cc1ccc(C)c(C(=O)N(CCC#N)CCC(C)C)c1 103440708 FOHARQFZKRJWOU-UHFFFAOYSA-N 272.392 3.705 30 20 CHED C=C(C)COC(=O)CSc1nc2ccccc2s1 57473079 CFCVKRYWQXTPLJ-UHFFFAOYSA-N 279.386 3.508 30 20 CHED N#CCC[C@H](NC(=O)CCc1cccs1)c1ccccc1 178615521 FTRNCCNZCNBPNQ-INIZCTEOSA-N 298.411 3.842 30 20 CHED Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 178559978 DOHINWAUVMSDTJ-WBVHZDCISA-N 282.387 3.662 30 20 CHED C=CCCC(=O)Nc1cc(F)c(Br)cc1C 135230779 KSBYMCCKMMNTJZ-UHFFFAOYSA-N 286.144 3.801 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)CCC 62904029 WVXZNYGIQHPRAE-AWEZNQCLSA-N 270.376 3.509 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](CC)c2ccccc2)c1 103032722 KRKSTLUDZLGUIR-GOSISDBHSA-N 277.367 3.825 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1cc(C#N)cs1 175872421 ABFBJBREAYLLTR-ZIAGYGMSSA-N 280.462 3.774 30 20 CHED C[C@H](CNc1cc(Br)c(C#N)cc1F)C1CC1 310294174 LFEGOZCGHTWEGT-MRVPVSSYSA-N 297.171 3.918 30 20 CHED CCN(CCCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 174814615 NMOOFMAUNQXDTL-UHFFFAOYSA-N 288.391 3.567 30 20 CHED Cc1cscc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 175498712 AONKLVBFHKVBRW-UHFFFAOYSA-N 296.395 3.733 30 20 CHED CCCCCCCC(=O)Nc1ccc([S@@](C)=O)c(F)c1 174054975 HECQXGILHLSZDZ-HXUWFJFHSA-N 299.411 3.862 30 20 CHED N#Cc1ccccc1SCc1noc2c1CCCC2 173714477 XWCMLZSOGYQMHJ-UHFFFAOYSA-N 270.357 3.717 30 20 CHED C[C@H](C[C@H](O)c1ccco1)Nc1cc(Cl)ccc1C#N 301904216 PMANLJGDKSPPEW-YGRLFVJLSA-N 290.750 3.729 30 20 CHED CCSc1ccc([C@@H](C)Nc2ccc(C#N)nn2)cc1 302001717 QQFGAWZJEUMLRX-LLVKDONJSA-N 284.388 3.633 30 20 CHED CO[C@]1(C)C[C@H](Nc2c(C#N)cnc3ccccc23)C1(C)C 301420235 HVRZPXYPMKORAI-MAUKXSAKSA-N 295.386 3.722 30 20 CHED C=CCOCCCC(=O)Nc1ncccc1-c1ccccc1 179571980 VQANLMFXWRWNOA-UHFFFAOYSA-N 296.370 3.670 30 20 CHED N#Cc1c(F)cccc1NCCOC1CCCCCC1 301271087 HDQOECGRPZCBQO-UHFFFAOYSA-N 276.355 3.849 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)Nc1ccc(C#N)cn1 301454519 RLIAJMSLLFFBCQ-INIZCTEOSA-N 283.350 3.772 30 20 CHED C[C@H](O)c1ccc(CNc2ccc(Cl)cc2C#N)cc1 171830784 CNMLGLZMYWUFQQ-NSHDSACASA-N 286.762 3.877 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1cc(C#N)cs1 177703549 KXISOUONRAABTN-UKRRQHHQSA-N 292.448 3.551 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1ccc(Cl)s1 23656633 CJCIDTIGBRSWFS-UHFFFAOYSA-N 293.731 3.501 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCCC[C@H]1CC(C)C 408408156 YRFWSEHDRSIULN-AWEZNQCLSA-N 288.391 3.891 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(Oc2cccnc2)cc1 116851290 OGKHYCGKHMKHLB-CYBMUJFWSA-N 282.343 3.568 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cccc(C)c1F 1357578027 OZDIZADZPAKLET-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCCCCC#N 170883285 QJOQGUYDIAZVKA-CABCVRRESA-N 279.428 3.584 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1ccc(Cl)c(C#N)n1 301513814 FZHYFMIVPLZYJA-PWSUYJOCSA-N 281.812 3.693 30 20 CHED CCOc1ccc(OC)cc1NCc1cccc(C#N)c1 178381538 ARDPNXFACUBNFR-UHFFFAOYSA-N 282.343 3.578 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 125841842 NGQDGXZWJOLXLV-YDHLFZDLSA-N 290.382 3.678 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C(C)(C)C)s1 121868287 SBPZNNFYGWEKON-UHFFFAOYSA-N 263.406 3.860 30 20 CHED N#Cc1ccc(NCCc2cccnc2)cc1C(F)(F)F 37718514 YGZYOOKECQHIEU-UHFFFAOYSA-N 291.276 3.627 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(Cl)cc1OC 188338290 OLNVPEBWIRDNIM-HNNXBMFYSA-N 281.783 3.567 30 20 CHED COc1cc(C)ccc1[C@H](C)NCc1ccc(C#N)cc1 37748473 GNHRROYPSGHEAB-AWEZNQCLSA-N 280.371 3.726 30 20 CHED Cc1ccc([C@H](O)CNc2c(Cl)cccc2C#N)cc1 301356657 KTTOGSVQDPBHKO-OAHLLOKOSA-N 286.762 3.666 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)CCCCC#N 75886029 BDPPKCKKTCDPCU-QGZVFWFLSA-N 258.409 3.942 30 20 CHED CC#CCCCC(=O)Nc1ccccc1CSC 186146836 YINWDFGBRHLOJC-UHFFFAOYSA-N 261.390 3.682 30 20 CHED CC#CCCCC(=O)N(CC(C)C)CC(C)(C)C 185865942 FDBRKUAKENNSCW-UHFFFAOYSA-N 251.414 3.711 30 20 CHED C#CCCCCNC(=O)Nc1c(C)noc1-c1ccccc1 126565512 UVBXFWFVIOSIRZ-UHFFFAOYSA-N 297.358 3.575 30 20 CHED C=CCCC(=O)NCCCOc1ccc2ccccc2c1 122871597 MEFFTWKJJUESCY-UHFFFAOYSA-N 283.371 3.691 30 20 CHED Cc1cc(Cl)cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 434016461 MWZKZISEGAOSDO-AWEZNQCLSA-N 290.794 3.803 30 20 CHED C[C@H](CC1CCCC1)C(=O)N[C@H](C)c1cccc(C#N)c1 75269341 CMZUZSSWSRLSRN-ZIAGYGMSSA-N 284.403 3.952 30 20 CHED C=CCCCNc1ccccc1C(=O)NC(C)(C)C 77245494 YAZZTJSJIJWBPB-UHFFFAOYSA-N 260.381 3.593 30 20 CHED CC[C@@H](CC#N)NC(=O)c1oc2c(C)ccc(C)c2c1C 183842401 DRVOHDRSSVQXQN-ZDUSSCGKSA-N 284.359 3.780 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc(N(C)C)cc1 181129638 BDEUHBBAIKOBFS-AWEZNQCLSA-N 295.386 3.656 30 20 CHED C[C@@H](NCCCSCC#N)c1cc2ccccc2o1 182622194 IGNMUXNUOVTZAO-GFCCVEGCSA-N 274.389 3.730 30 20 CHED C#CCCCCC(=O)N1CCCCC[C@H]1CC(C)C 120196594 NYCRHKFUGYZIEH-INIZCTEOSA-N 263.425 3.997 30 20 CHED Cc1cccc(C)c1CSc1nnc(C)c(C)c1C#N 182702793 OLRNXFPOXMFJSA-UHFFFAOYSA-N 283.400 3.874 30 20 CHED Cc1ccc(-c2ccc(CN3CCC(C#N)CC3)o2)cc1 123759863 QYNQIJWXRYNOJT-UHFFFAOYSA-N 280.371 3.991 30 20 CHED N#Cc1csc(CNCc2coc3ccccc23)c1 339407954 RUXDZRGLUKQSTP-UHFFFAOYSA-N 268.341 3.656 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)[C@H](C)C[C@@H](C)C2 411012592 NKKJYCPUJKWDAQ-RKDXNWHRSA-N 262.378 3.654 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@@H](C)Cc1cccc(F)c1 410830750 WTBICNPTXNPXFX-BBRMVZONSA-N 290.382 3.545 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)cc2C)cc1F 185997103 KCMAXYAQXXSZRC-UHFFFAOYSA-N 283.302 3.787 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc2ccccn2c1 74193856 XVZLJLRHUYTSIE-UHFFFAOYSA-N 296.395 3.829 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H](CC)CSC)c1 181760677 PDSUDQLXEVSGAK-GFCCVEGCSA-N 294.420 3.515 30 20 CHED CCc1ccc([C@H](C)Nc2ncc(C#N)cc2F)cc1 413031232 XBNYEOMJQKGWEE-NSHDSACASA-N 269.323 3.828 30 20 CHED C=C(C)[C@H](NC(=O)C1[C@H]2CCC[C@H]12)c1ccc(F)c(F)c1 184838200 DSDOLQBDIITTSB-MKBNYLNASA-N 291.341 3.744 30 20 CHED C=CCCC1(C(=O)NCc2cnccc2C(C)(C)C)CC1 412567007 WJSLDUFQUSBEEG-UHFFFAOYSA-N 286.419 3.742 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 211367622 YLVSLLJDIZEMDB-WAPJZHGLSA-N 289.237 3.769 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC 412356094 BLRBGDBHZFNHIY-LSDHHAIUSA-N 287.403 3.517 30 20 CHED CC1(C)Cc2cc(/C=C/C(=O)c3cncc(F)c3)ccc2O1 78023066 YMMIPOGYZBFTKO-HWKANZROSA-N 297.329 3.830 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(Oc2cnccn2)c1 134935141 VRWUIAFDLXCQHT-QGZVFWFLSA-N 297.358 3.810 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](CCC=C)c1ccccc1 133918006 OUTNLGLSZKKESP-NVXWUHKLSA-N 287.403 3.791 30 20 CHED CCc1ccc(-c2ccc(C(=O)N[C@@H](CC)CC#N)o2)cc1 183834422 BJRIVJQAKUOAAI-HNNXBMFYSA-N 296.370 3.931 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H]2CCC[C@@H]2C)c1 503053192 UOLXPMMBLFAFOG-BBRMVZONSA-N 288.391 3.952 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416099816 LRWDDWFGGOMDCQ-NXHRZFHOSA-N 296.414 3.734 30 20 CHED N#CC1(CNC(=O)N[C@H](c2ccccc2)C2CCC2)CCC1 419452743 HLFDEMJZXDZQCB-MRXNPFEDSA-N 297.402 3.521 30 20 CHED CCN(C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1C#N 48966453 SCAFCABMLITFGI-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED Cc1cc2cc[nH]c2cc1N=C(O)[C@@H]1C[C@H](C)CC(O)=N1 329009128 OALSKFFZTCJGJT-XPTSAGLGSA-N 285.347 3.819 30 20 CHED C=CCOc1ccc(CN(C)CC=C)cc1Cl 428384842 OVKUUDIHEUMKJH-UHFFFAOYSA-N 251.757 3.523 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c(OC)c2)CCC1 190723298 HDCVPNOMTQHQFH-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C[C@H](CNCC(C)(C)CCC#N)COCc1ccccc1 174299873 CWJHZQMSFYKMOR-MRXNPFEDSA-N 288.435 3.759 30 20 CHED C=CCCCCCNc1cc(C(=O)N(C)C)ccc1C 195448312 APIZQDDMDZCKPB-UHFFFAOYSA-N 274.408 3.855 30 20 CHED C=CCN(CCC#N)CCCSCc1ccccc1 428861584 JZVJBAOOESYPMA-UHFFFAOYSA-N 274.433 3.712 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1ccco1 130856917 UWFXGCKYAAADNA-MDZDMXLPSA-N 256.301 3.963 30 20 CHED C=CCC[C@H](N[C@H]1CCN(c2ccccc2F)C1)C1CC1 426292140 DIDIWTAXYYLXLT-RDJZCZTQSA-N 288.410 3.739 30 20 CHED C=CCC1(C(=O)N2CCc3c(C)cccc32)CCC1 190687127 WPHOIRWQVJGDMI-UHFFFAOYSA-N 255.361 3.631 30 20 CHED C[C@H](/N=C(/O)c1snnc1C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 329784580 PIZOAXWTMIUURK-FSZOTQKASA-N 291.420 3.545 30 20 CHED CC(C)(C)OCCSc1nc2c(cc1C#N)CCCC2 194656453 ZUPOSTUGTBSBLE-UHFFFAOYSA-N 290.432 3.739 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@H](C)C(F)(F)C1)c1ccccc1 427667555 CRPWURSTANJEGL-KBPBESRZSA-N 293.357 3.850 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H](C)C(F)(F)F)c1ccccc1 427816619 CGLQUPFHSZRLDB-DGCLKSJQSA-N 285.309 3.661 30 20 CHED N#CC1(C(=O)NCc2csc3ccccc23)CCCCC1 518494342 MECHASKDGJVRDY-UHFFFAOYSA-N 298.411 3.992 30 20 CHED CN(Cc1cc(Br)cs1)CC1(CC#N)CC1 88259380 LLIWPWIQAPUULG-UHFFFAOYSA-N 299.237 3.636 30 20 CHED Cc1cccc([C@H]2CCCCCN2C(=O)NCCC#N)c1 426432450 XPBGWIFXMIVDCL-MRXNPFEDSA-N 285.391 3.535 30 20 CHED Cc1ccc(C[C@@H](C)Nc2ccc(C#N)cc2)s1 80245188 FNPFTUHATFHLIA-LLVKDONJSA-N 256.374 3.971 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cccc3[nH]ccc23)c1 80639617 IADDLFCMJSOCGK-UHFFFAOYSA-N 288.350 3.816 30 20 CHED C[C@H](c1ccc(F)c(Cl)c1)N1CCC(F)(C#N)CC1 510954474 UJBVDARGEPWNOM-SNVBAGLBSA-N 284.737 3.868 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CCCc3ccccc32)C1 192591950 YHDIFABYYNBVTN-JLJPHGGASA-N 254.377 3.736 30 20 CHED COc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc(C#N)cc2)c1 336853415 HBDXXLZYVQFVEV-NSHDSACASA-N 297.314 3.648 30 20 CHED CC(C)(C)c1nc(CN(CCC#N)CC2CC2)cs1 174697243 HTUXIEBTZZFWHZ-UHFFFAOYSA-N 277.437 3.566 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)cc1 335112853 KPYKCPKTSOHZNV-OCCSQVGLSA-N 288.366 3.955 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCC1Cc2ccccc2C1 425940242 GTDYZTCDBDJLSK-SFHVURJKSA-N 298.430 3.542 30 20 CHED CC[C@H](/N=C(/O)c1cc(C(C)C)oc1C)[C@H]1CCCO1 330601134 IAAKXDLENOTDQU-UONOGXRCSA-N 279.380 3.974 30 20 CHED CCCC[C@H](NC(=O)c1cccc(C#N)c1C)C1CCC1 512831828 FIBJJTRYMMRKJS-KRWDZBQOSA-N 284.403 3.955 30 20 CHED CN(Cc1ccc(CC#N)cc1)Cc1c(F)cccc1F 339602485 XPUIUSMSJJLIKI-UHFFFAOYSA-N 286.325 3.663 30 20 CHED C=CCC[C@H](NCc1ccc2c(c1)CCCN2)C1CC1 423446521 OGTZBCSUQQQGKA-KRWDZBQOSA-N 270.420 3.879 30 20 CHED C[C@H]1CC[C@@H](CNc2nc(Cl)c(C#N)s2)C1 230431051 ZUXVJKIZYANRFQ-JGVFFNPUSA-N 255.774 3.516 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCCC2(CCCCCC2)C1 513628220 GRSFIONLUVBMRD-MRXNPFEDSA-N 276.424 3.889 30 20 CHED CCC1CN(C(=O)c2sc3ccc(C#N)cc3c2C)C1 335096428 OWBYAODDAWETCD-UHFFFAOYSA-N 284.384 3.563 30 20 CHED CCCN(CC(C)C)C(=O)Nc1cccc(C#N)c1C 432261424 CEOWCFKAVQVVAG-UHFFFAOYSA-N 273.380 3.767 30 20 CHED COc1ccc(C(=O)/C=C\c2ccsc2)cc1OC 97993090 KBBSZYWIHSMLAK-HYXAFXHYSA-N 274.341 3.661 30 20 CHED CCOc1cc(Oc2ccccc2C#N)ccc1[N+](=O)[O-] 92582011 FZEISFAEZLQTAW-UHFFFAOYSA-N 284.271 3.657 30 20 CHED CCN(CCC#N)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 92894856 IZSJSYZDJFZUOO-ZDUSSCGKSA-N 292.810 3.671 30 20 CHED N#CCN(Cc1ccc2occc2c1)C1CCCC1 290181851 ZFOLKOWKHCALQG-UHFFFAOYSA-N 254.333 3.701 30 20 CHED COc1ccc([C@@H]2CCCN2c2cc(C)nc(C#N)c2)cc1 341340331 JLEFVFYLFLUAJO-SFHVURJKSA-N 293.370 3.612 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2nc(C)[nH]c2c1 342748555 JQOZOHICBAYWSY-UHFFFAOYSA-N 269.348 3.578 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 247555849 TYSLTHMHTOXWGM-WCFLWFBJSA-N 263.768 3.524 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C 432486129 RUUXDCCTVMZYFY-UHFFFAOYSA-N 291.351 3.627 30 20 CHED Cc1cc(C)cc(CCNc2ccc([N+](=O)[O-])cc2C#N)c1 524842886 LDHUHKYSXSXICY-UHFFFAOYSA-N 295.342 3.738 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1 255753450 DXNXHGQZGZOFFS-VURMDHGXSA-N 286.302 3.574 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCCC[C@@H]1CC(C)C 607081031 UDPGHQZAGKIVSO-JKSUJKDBSA-N 281.440 3.785 30 20 CHED C=CCCCCCN(C)Cc1cn2c(C)cccc2n1 524609203 MRNOONJGDRNDGC-UHFFFAOYSA-N 271.408 3.821 30 20 CHED C=C(C)CN[C@@H](C)c1cccc(Br)c1 51753362 GLXPRQGJHBWXPC-JTQLQIEISA-N 254.171 3.676 30 20 CHED CC#CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 607726146 LOOPIUKRVBLFDR-LJQANCHMSA-N 261.368 3.657 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCCCC)C(C)C 438454966 MRVJBYNLHJUMNI-HZPDHXFCSA-N 296.455 3.578 30 20 CHED Oc1nc2ccccc2cc1C=Nc1nc2ccccc2[nH]1 255346771 KBMXDTMKDDKDFU-UHFFFAOYSA-N 288.310 3.567 30 20 CHED CC[C@H](CNC(=O)c1ccccc1CC#N)c1ccccc1 600970158 HDDRWLACQPMOFF-OAHLLOKOSA-N 292.382 3.676 30 20 CHED N#CCCCNC(=O)c1cccc(Oc2ccccc2)c1 342655211 QRVAGVRCXFWVJQ-UHFFFAOYSA-N 280.327 3.512 30 20 CHED C[C@H](CCC#N)CNc1ccc2c(cnn2C(F)F)c1 602595324 WFMHULRHRWIONA-SNVBAGLBSA-N 278.306 3.783 30 20 CHED C=CCOc1ccc(CNc2nccc(C(F)F)n2)cc1 343238757 NGMYXCNUXQANKD-UHFFFAOYSA-N 291.301 3.591 30 20 CHED C#Cc1cccc(N(C)C(=O)/C=C\SCc2ccco2)c1 255145049 FSNTXMALBBFIJY-LUAWRHEFSA-N 297.379 3.671 30 20 CHED CSCc1cccc(NC(=O)Cc2ccc(C#N)cc2)c1 609454418 XBZJGLLFAJKRGA-UHFFFAOYSA-N 296.395 3.602 30 20 CHED CCc1ccc(C2CCN(C(=O)C3(C#N)CCC3)CC2)cc1 600680873 DXBPMHIUHDNGID-UHFFFAOYSA-N 296.414 3.649 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@H](C)CC1 443575294 GZCWYXNLLNUYNV-WFASDCNBSA-N 285.391 3.957 30 20 CHED CCOC(=O)CCCCSc1ccc(C#N)cc1F 358073073 PRWBQPXXGBPBRX-UHFFFAOYSA-N 281.352 3.523 30 20 CHED CC1CCC(N(C)CC#Cc2ccc(F)cc2)CC1 448453391 XZXAAZXDLPPQSE-UHFFFAOYSA-N 259.368 3.688 30 20 CHED CC(C)[C@@H]1C[C@H](NC(=O)N(C)C[C@H](C)C#N)c2ccccc21 602373645 NSZIIIBZOSTVHN-COXVUDFISA-N 299.418 3.672 30 20 CHED C=CCCS[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 537421319 DYYUSMVLIFGYGR-CYBMUJFWSA-N 299.798 3.894 30 20 CHED C=CCC1(C(=O)NCC2Cc3ccccc3C2)CCCC1 449883806 NDEZQIFCORJVEI-UHFFFAOYSA-N 283.415 3.654 30 20 CHED N#Cc1ccc(-c2cccc([C@H]3CCCN3)c2)s1 600778323 WGQNHHPBJARUJH-CQSZACIVSA-N 254.358 3.711 30 20 CHED C=CCC1(C(=O)NCc2ccc(C)nc2)CCCCC1 448723706 UOCGUPIGXPJOBI-UHFFFAOYSA-N 272.392 3.533 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC2(CCCCCC2)C1 449982595 VJQSPHFDAHJZOU-CVEARBPZSA-N 291.435 3.541 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H](CC#N)c1ccccc1 357156289 YRKKTUUEOABCCJ-DLBZAZTESA-N 282.387 3.641 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1nc(C(C)C)c(C)s1 447571467 KFQBWBFJDOECSY-CYBMUJFWSA-N 292.448 3.685 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)C1 359873568 PPFVHLVKETWEML-UZJLFSMRSA-N 280.415 3.634 30 20 CHED CC1(C#N)CCC(Nc2ccc(NC(=O)C3CC3)cc2)CC1 449040930 KIXRPABDJXWCCX-UHFFFAOYSA-N 297.402 3.919 30 20 CHED CC(C)[C@H]1CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl 611430668 YDNFUCWMQRCUEO-GFCCVEGCSA-N 297.185 3.736 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2ccc(Cl)cc2Cl)C1 442651422 QJZLNWOKZGAXGC-GXFFZTMASA-N 283.202 3.818 30 20 CHED C=CCC[C@@H](NC(=O)Cc1cscn1)c1ccccc1 612709080 VTPGBFLFHDDOBZ-OAHLLOKOSA-N 286.400 3.509 30 20 CHED CCC1(CC)CCN(C(=O)Nc2ccc(CC#N)cc2)C1 268058744 SUOFCBODOLKYNM-UHFFFAOYSA-N 285.391 3.797 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)N[C@@H](C#N)CC(C)C 611251583 XIWPDYWAVGYGHP-HIFRSBDPSA-N 290.432 3.612 30 20 CHED C=CCOc1cccc(NC(=O)N(C)CC(C)(C)C)c1 263727595 GGPBTAQSSBXWJH-UHFFFAOYSA-N 276.380 3.761 30 20 CHED N#Cc1cccc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)n1 265486315 FHKSKMDOLRGRIN-MAUKXSAKSA-N 293.370 3.533 30 20 CHED C=CC[C@H]1N(Cc2noc(C(C)C)n2)CCCC1(C)C 444788452 VNALRZOQJDBSJJ-CYBMUJFWSA-N 277.412 3.760 30 20 CHED COc1cc(CN(CCC#N)CC2CC2)cc2ccccc12 449021104 BRZQYAWIFJBUNF-UHFFFAOYSA-N 294.398 3.974 30 20 CHED C=CCC(CC=C)C(=O)N1CC=C(C(C)(C)C)CC1 535464279 SRPYHCXUEWTBBV-UHFFFAOYSA-N 261.409 3.960 30 20 CHED CCC[C@H](C#N)NC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 617141984 FOLYVURGTLMCHT-RBSFLKMASA-N 284.403 3.784 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(CC)cc1)OCC 533702187 LIMAKMZYXHSXFK-OAHLLOKOSA-N 261.365 3.559 30 20 CHED C=CCN(CCC#N)C(=O)C(CC(C)C)CC(C)C 451958413 HLOZNOKOFHZERF-UHFFFAOYSA-N 264.413 3.623 30 20 CHED C=CC[C@H](C(=O)NCC1=CCCCC1)c1ccccc1 452294407 WAWSKXKLXSFNPF-KRWDZBQOSA-N 269.388 3.963 30 20 CHED N#Cc1ccc(C2=CCN(CC3CC(F)(F)C3)CC2)cc1 450658127 ZPZIACFIJJMLEZ-UHFFFAOYSA-N 288.341 3.693 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 450077157 VUJQDVOOEPSDTQ-GHMZBOCLSA-N 277.330 3.684 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)N(C)CC(C)(C)C#N 458502882 KAWDIHKSDXCPBM-ZIAGYGMSSA-N 293.455 3.782 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)NCC(C)(C)CC#N 457988331 CBSFQZPYBAXHIA-OAHLLOKOSA-N 278.440 3.895 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1cc(O)cc(C#N)c1 614370895 IRRDDURQLLYPHH-UHFFFAOYSA-N 288.391 3.551 30 20 CHED CC[C@@H](C)c1noc(/C=C/c2ccc(C#N)cc2)n1 273681634 IHFQBACBVODRKZ-ANYFNZRUSA-N 253.305 3.625 30 20 CHED Cc1ccc2c(c1)CCN(Cc1ccc(F)cc1C#N)C2 361840281 REMIVCLODWKERF-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=CC(C)(C)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 452140517 PGQIYSRKFKWVFR-YOEHRIQHSA-N 257.377 3.509 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)[C@H](C)C#N 360118761 KQESXDFUAXFMQD-MRVPVSSYSA-N 268.769 3.550 30 20 CHED CCCc1cc(C(=O)N(CC)c2ccc(C#N)cc2)ccn1 361859860 TUJVVUSFQUNFNW-UHFFFAOYSA-N 293.370 3.572 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc2c1ccn2C 540540563 ZCQUUKKGIIKFCM-CYBMUJFWSA-N 270.376 3.653 30 20 CHED C=CCCC(=O)N1CCC(c2ccc(F)c(F)c2)CC1 369011625 SNKYOQSVNSCGJI-UHFFFAOYSA-N 279.330 3.637 30 20 CHED C=C(C)CCS(=O)(=O)c1ccc(Cl)cc1Cl 549097620 JKZXJJNAHPWBPW-UHFFFAOYSA-N 279.188 3.733 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(=O)OC)s2)CCCC1 459892844 HYLNJSPDPNDVDN-UHFFFAOYSA-N 293.388 3.610 30 20 CHED CCC[C@@H]1CCCCN1C(=O)Nc1cccc(CC#N)c1 455899523 ATQZNRBPQZQLNU-MRXNPFEDSA-N 285.391 3.939 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(F)(F)C[C@@H]1C 623856180 OOOJTDHJTRKQBE-RYUDHWBXSA-N 274.355 3.560 30 20 CHED Cc1cccc([C@@H]2CCCN2CC2(C#N)CCC2)c1 450287148 OVJAESQFTABGIW-INIZCTEOSA-N 254.377 3.826 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 620857109 NYVZTCSZMPWVQR-CABCVRRESA-N 275.367 3.790 30 20 CHED C=C(CC)CN[C@@H]1CCSc2ccc(OC)cc21 453346741 FZZHPZAUACSDBV-CQSZACIVSA-N 263.406 3.788 30 20 CHED CC(C)SCC(=O)Nc1cc(C(C)(C)C)sc1C#N 540272305 GIPKKLKSEYLJSH-UHFFFAOYSA-N 296.461 3.997 30 20 CHED C=CCC1(NC(=O)c2cc(C)oc2C)CCCCC1 456379111 ICNLSUBFUMYLPW-UHFFFAOYSA-N 261.365 3.905 30 20 CHED C=C(C)CCN(Cc1nc(O)c2ccccc2n1)[C@@H](C)CC 274760713 DKDDZTSCCCFWJF-AWEZNQCLSA-N 299.418 3.902 30 20 CHED CCN(C(=O)Nc1cccc(CC#N)c1)[C@H](C)C(C)C 455926709 YURUHYKFVXSCSO-CYBMUJFWSA-N 273.380 3.651 30 20 CHED CC#CCN(C)C(=O)Nc1ncc(C2CCCCC2)s1 455110670 XKNCFCXYKKXZQW-UHFFFAOYSA-N 291.420 3.678 30 20 CHED C=CCC1(C(=O)NCC(CC)(CC)CCO)CCCCC1 450137564 SWALDKJHIQSVBH-UHFFFAOYSA-N 295.467 3.818 30 20 CHED C=CCC1(c2nc(C(C)(C)OC)no2)CCCCC1 453034022 LKWQCHUFRWWTHK-UHFFFAOYSA-N 264.369 3.729 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCOc2c(F)cccc21 371927661 QWDMHXGPNWEVGC-OAHLLOKOSA-N 289.350 3.534 30 20 CHED C=CCCC(=O)N(Cc1ccsc1)C(C)(C)C 622904227 ZCBPBWJEYSICDP-UHFFFAOYSA-N 251.395 3.841 30 20 CHED C=CCCN(C)Cc1cc(Br)c(OC)s1 276147799 OLWYHWPNRHVSBS-UHFFFAOYSA-N 290.226 3.527 30 20 CHED C=CCN(CCc1ccco1)Cc1ccnc(Cl)c1 272342128 YVDCJIYRZLLWDD-UHFFFAOYSA-N 276.767 3.559 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1C[C@@H](C)CC(C)(C)C1 542238936 RUTVLJHKQGXBAT-UONOGXRCSA-N 266.429 3.809 30 20 CHED Cc1nnc(CS[C@H](C)c2cccc(C#N)c2)s1 276138682 BSIMESMLCQIPQJ-SECBINFHSA-N 275.402 3.713 30 20 CHED Cc1nc2c(c(Oc3cc(Cl)ccc3C#N)n1)CCCC2 542949239 RCAUCEYLQNAMDJ-UHFFFAOYSA-N 299.761 3.981 30 20 CHED N#CCC1CCN(Cc2cnc(C3CCC3)s2)CC1 542853945 MSRMVGDJJBQKIV-UHFFFAOYSA-N 275.421 3.536 30 20 CHED Cc1ccc(O[C@@H](C)CN[C@@H](C)c2cccc(C#N)c2)cc1 540593671 NBMWPUILBDIBMW-HOTGVXAUSA-N 294.398 3.985 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@@H](C(C)(C)C)C1 543175347 NNAABHFRWCUKMH-CQSZACIVSA-N 287.403 3.760 30 20 CHED C[C@H](C(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C)c1cccc(C#N)c1 462348942 ZTJDRWOLGBAMPY-QPSCCSFWSA-N 284.403 3.555 30 20 CHED COc1ccc([C@H](C)NCC2CCC(C#N)CC2)cc1C 282139569 BYUJMPMARACIQH-FHERZECASA-N 286.419 3.984 30 20 CHED C[C@@H](C(=O)N[C@@H]1CCCCC1(C)C)c1cccc(C#N)c1 462198466 JCNGWGYQBMRSSP-CZUORRHYSA-N 284.403 3.747 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)CCCCc1ccccc1 280614886 QXORDOGCAWVLGG-UHFFFAOYSA-N 296.370 3.555 30 20 CHED CC(C)c1ccc(C[C@H]2CCN(CCCC#N)C2)cc1 460973335 LXAUHBLDCPJGMY-QGZVFWFLSA-N 270.420 3.978 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H]2C2CC2)cc1 556542954 XPQREVWDJWHYLH-OAHLLOKOSA-N 283.375 3.504 30 20 CHED CC[C@H](C)CCC(=O)Nc1ccccc1O[C@H](C)C#N 285786613 KNYXRTPHSNCGBG-QWHCGFSZSA-N 274.364 3.742 30 20 CHED CCCc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)s1 633894765 QVWJQCZNRNXRAE-LLVKDONJSA-N 290.413 3.956 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(C#N)cc2)CC1 469478366 RECHPQZFJRDYCC-QZTJIDSGSA-N 298.430 3.822 30 20 CHED C=CCC(C)(C)c1noc([C@H](c2ccccc2)N(C)C)n1 551497432 YQCNDUTYLSOHGF-AWEZNQCLSA-N 285.391 3.574 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OC(C)C)cc1 466386141 NKVUMBFRRZRXCK-CYBMUJFWSA-N 276.380 3.950 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc2oc(C)nc12 633346967 JFQRBMOERYABRJ-UHFFFAOYSA-N 258.321 3.677 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)c(OC)cc1Cl 288998906 ULFMZBDNTNNZRE-JTQLQIEISA-N 282.771 3.743 30 20 CHED C=CC[C@H](C(=O)N(C)[C@H](C)C1CC1)c1ccccc1 630640786 RPHYOGOWRQERMR-CJNGLKHVSA-N 257.377 3.603 30 20 CHED C=CCN(C)c1nnc(-c2ccc(C)s2)n1CC(=C)C 555248587 YAMGCEWFKLQIJQ-UHFFFAOYSA-N 288.420 3.513 30 20 CHED N#Cc1ccnc(N[C@@H]2CCC[C@@H]2c2ccccc2)c1 553058774 NRSXCLRDWIQMBJ-HZPDHXFCSA-N 263.344 3.701 30 20 CHED CCN(C(=O)c1ccc(C#N)c(C)n1)c1cccc(C)c1C 298363543 RUXUERXVKFXGPX-UHFFFAOYSA-N 293.370 3.545 30 20 CHED C=CCC(C)(C)C(=O)NCCc1csc(C(C)C)n1 292393351 XLLKWUMQBDGNCA-UHFFFAOYSA-N 280.437 3.528 30 20 CHED C=C(C)CN(C)C(=O)CCCSc1ccc(OC)cc1 474155866 DECONGFBVDTSKM-UHFFFAOYSA-N 293.432 3.602 30 20 CHED C=C(CC)CS[C@H](C)C(=O)N1CCc2ccccc21 560938586 ACYPNDPXYSZMHT-CYBMUJFWSA-N 275.417 3.664 30 20 CHED COc1ccc(C)cc1/C=C1/Cc2nc(Cl)ccc2C1=O 806579631 MKVSPXIRQWJVPG-WQLSENKSSA-N 299.757 3.874 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N[C@](C)(C#N)C(C)(C)C 297975352 QHLMJHMQVLMVBY-QGZVFWFLSA-N 287.407 3.572 30 20 CHED Cc1cc(N2CC[C@H](c3ccccc3)[C@@H]2C)cc(C#N)n1 561235290 AWXJMAPLKVIRCG-KSSFIOAISA-N 277.371 3.644 30 20 CHED O=C(/C=C/c1c[nH]c(C(F)(F)F)c1)c1ccc(O)cc1 806565431 NLHFLAQTHUCQML-LZCJLJQNSA-N 281.233 3.635 30 20 CHED N#Cc1ccc(N2CC[C@]3(CCc4ccccc4O3)C2)cc1 562237803 IRASBCSXQFRAIL-LJQANCHMSA-N 290.366 3.532 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ncc(Cl)n2C)cs1 295768425 BNCFKPWVPNFWRI-SNAWJCMRSA-N 295.795 3.550 30 20 CHED CSC[C@](C)(C#N)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 568862007 FJDYDEDDSSKEBT-ZENOOKHLSA-N 296.480 3.600 30 20 CHED Oc1ccccc1/C=N\Cc1ccsc1Br 800790018 AAVCWRKTLDQKAY-AUWJEWJLSA-N 296.189 3.835 30 20 CHED CC(C)CC(=NN[C@H]1CCSC1)c1ccccc1 808000786 VFKDBMBGHZRHHR-AWEZNQCLSA-N 262.422 3.532 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)c1c(F)cccc1F 489905098 FBMDSKRZNCWNFV-LLVKDONJSA-N 281.346 3.787 30 20 CHED CC[C@H](C=NNCc1ccc(C#N)cc1)c1ccccc1 814882952 UAFNITLJOIBGRD-QGZVFWFLSA-N 277.371 3.827 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)[C@H](C#N)c1ccccn1 819942329 ZQCOGOOFNAZFQG-DOTOQJQBSA-N 292.382 3.835 30 20 CHED C[C@@H](Sc1cccc(F)c1C#N)C(=O)OC(C)(C)C 481102919 HQLGONKWYARNSZ-SECBINFHSA-N 281.352 3.520 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 489770279 PWVIBIJAGQIPPW-GFCCVEGCSA-N 295.810 3.826 30 20 CHED C=CCCCCOC(=O)c1ccc(-c2cnco2)cc1 811013679 GDEOLRLJUXWPHP-UHFFFAOYSA-N 271.316 3.855 30 20 CHED N#CC1(CNCc2cccc(-c3ccccc3)c2)CC1 562384077 CFJBIRKYXNOJJJ-UHFFFAOYSA-N 262.356 3.747 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(OCCF)c1 488901526 NHYPBSLPZJSHIF-AWEZNQCLSA-N 292.354 3.607 30 20 CHED Cc1cc(CN(C)[C@@H]2CCc3ccccc32)ccc1C#N 486804290 UZXBONQIGSWQAC-LJQANCHMSA-N 276.383 3.986 30 20 CHED Brc1cc(NN=C2CC[C@H]2C2CCC2)ccn1 814904810 ZVYSAQNEUHHJHZ-NSHDSACASA-N 294.196 3.822 30 20 CHED FC(F)(F)c1csc(NN=C2CC[C@@H]2C2CC2)n1 814867589 KWYSXPIVSDOGED-SSDOTTSWSA-N 275.299 3.750 30 20 CHED CCCCOc1cccc(CNc2cccnc2C#N)c1 569538129 TVSUHURWRJPUEP-UHFFFAOYSA-N 281.359 3.744 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(N(CC)CC)cc2)c1 819390298 QBNPFSHMRIWDSA-UHFFFAOYSA-N 292.382 3.766 30 20 CHED Oc1cccc(/C=N\C[C@@H](c2ccccc2)C2CC2)c1O 814184050 SNLZQJRLTHPGAU-YLRSXTQRSA-N 281.355 3.711 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 575442301 TWQKRCPUVZASLE-FRFSOERESA-N 274.408 3.567 30 20 CHED C[C@H]1CCC[C@H](C)C1NCc1ccc(CC#N)cc1 571124142 OXRDWBLQWYOIOC-KBPBESRZSA-N 256.393 3.667 30 20 CHED CCCCCCCC(=O)N1CCC(C)(OCC)CC1 816720016 SHFXEBZSCOCAQL-UHFFFAOYSA-N 269.429 3.765 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H](c3ccccc3)C2)o1 486895079 BVVSTEIPLSMFAN-HOTGVXAUSA-N 280.371 3.967 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(Cl)c(C)c1 654301326 ZTYPOAVZNIBGJW-KGLIPLIRSA-N 294.782 3.504 30 20 CHED Cc1ccc(/C=C\CC(=O)N2CCC(CCC#N)CC2)cc1 573566395 IJAWFCJGDKADGX-RQOWECAXSA-N 296.414 3.941 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C1CC2(CCC2)C1 577517811 RXOFIKPWIGNYHF-UHFFFAOYSA-N 297.402 3.899 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C\c1cccc(F)c1C#N 811690827 HXYPGVWLPCJDCF-JYRVWZFOSA-N 292.313 3.807 30 20 CHED C#Cc1cccc(N(C)C(=S)N[C@@H]2CCCC[C@@H]2C)c1 728447855 CCEDTGRBNMBETN-XJKSGUPXSA-N 286.444 3.557 30 20 CHED CC[C@@H](C)NC(=O)Nc1scc(C(C)(C)C)c1C#N 821488373 LRGJYJDLABHYII-SECBINFHSA-N 279.409 3.837 30 20 CHED C=CCC[C@H](CC)Nc1ccc(C)c(N2CCNC2=O)c1 494526385 ICYRRYXEBHOKET-AWEZNQCLSA-N 287.407 3.681 30 20 CHED C=CCSCCNC(=O)/C=C(\C)c1ccccc1Cl 727377706 QDZXUSUWQSPXIY-VAWYXSNFSA-N 295.835 3.779 30 20 CHED C=CCCC[C@@H](C)N[C@@H](CO)c1cccc(Cl)c1F 499941154 CGUKFNMFBQPXLP-RISCZKNCSA-N 285.790 3.847 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC[C@@H](C)CC 661583940 OOUFFMLKSOIVNR-ZDUSSCGKSA-N 280.437 3.882 30 20 CHED Cc1ccccc1[C@H]1CCCN1C(=O)C#Cc1cccs1 825367895 IIDDWNJUCDMNDV-QGZVFWFLSA-N 295.407 3.772 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 499519021 PJFKSYQVDZVNAD-APIJFGDWSA-N 285.387 3.707 30 20 CHED C=CCCOC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 729073236 IFSHSMNCRCKTKP-SECBINFHSA-N 289.158 3.880 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2nc3ccccc3[nH]2)o1 732762377 XQQWXQAMZPOPON-PWSUYJOCSA-N 280.331 3.725 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1c1ccc(C#N)cn1 581569884 WHGNRDJVXJLIQH-GXTWGEPZSA-N 257.381 3.604 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1)C(C)C 826071624 OTEHVGBDVQHLMQ-DLBZAZTESA-N 271.404 3.830 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cccc(N2CCOC2=O)c1 497253302 PXRMIDHVMSRVMJ-CYBMUJFWSA-N 288.391 3.506 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCCc1ccco1 667171212 FCBQLBMEIRWQPC-UHFFFAOYSA-N 298.386 3.610 30 20 CHED C[C@@H]1CSc2ccccc2N1C(=O)CCCCCC#N 588940298 UTHKDGATBPYWDG-CYBMUJFWSA-N 288.416 3.988 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](CO)c1ccc(F)cc1 584307956 KICGFZFTTOHNTL-CVEARBPZSA-N 265.372 3.584 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C\c1ccccc1OC(F)(F)F 735066029 MQMMKJHLPAKCOG-DWOQACPDSA-N 299.292 3.679 30 20 CHED C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)c1ccsc1 739141810 CYTXRAYQUSRSRD-PWSUYJOCSA-N 295.367 3.604 30 20 CHED C#CCC[C@H](C)OC(=O)c1cccc(F)c1Br 839041037 SSWQQKCEUBLOBH-VIFPVBQESA-N 299.139 3.547 30 20 CHED C=CCC1(C(=O)OCCC(F)(F)F)CCCC1 835262020 DDCIGLILIKUMOK-UHFFFAOYSA-N 250.260 3.619 30 20 CHED Cn1c(Cl)cnc1/C=C1\CCCc2ccccc2C1=O 834398384 HYBGYUSDEURSSX-FMIVXFBMSA-N 286.762 3.676 30 20 CHED C#Cc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 834902416 HVXOJIQUSZEBKQ-FQEVSTJZSA-N 286.378 3.707 30 20 CHED CC(=NN[C@H]1CCSC1)c1c(C)oc2ccccc12 834978762 CLHWFYVLPIETKS-LBPRGKRZSA-N 274.389 3.560 30 20 CHED CC(=NNc1ccc(C)cc1Cl)c1cc(C)nn1C 835011677 MJPJXAMOZZJSFS-UHFFFAOYSA-N 276.771 3.526 30 20 CHED C=CCN(C(=O)Nc1ccc(OC=C)cc1)C(C)C 839148963 UIHRLJFZSOOOFD-UHFFFAOYSA-N 260.337 3.637 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(NC(=O)O)c1 833374038 OEFDWFZSIQWKOU-LLVKDONJSA-N 291.351 3.643 30 20 CHED COc1cc(C#N)ccc1OCCCCC1(C#N)CCC1 901363581 MXZAZWIQZIELKP-UHFFFAOYSA-N 284.359 3.810 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1nc(Br)cs1 834654609 PZKXPKZEEFLJKO-SFYZADRCSA-N 275.215 3.521 30 20 CHED C=CCCCCCCNC(=O)NC[C@H]1CCOC(C)(C)C1 836458459 XTJHCZRJZNOUNW-HNNXBMFYSA-N 296.455 3.627 30 20 CHED CN(C(=O)c1ccc2c(c1)CCC=C2)c1ccccc1C#N 588944983 GDWCJINWPSIZOH-UHFFFAOYSA-N 288.350 3.794 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H](C)Sc1ccc(OC)cc1 839036859 YAKDLFJIUZVIFR-QWHCGFSZSA-N 292.400 3.521 30 20 CHED CC[C@H](NCc1cccc(N(C)C)c1)c1cccc(C#N)c1 902791339 UOSKOTBSCGBMQL-IBGZPJMESA-N 293.414 3.865 30 20 CHED C=CCCC(=NNc1ccc(F)c(C(=O)OC)c1)C1CC1 835011335 IRWPWNATARERTA-UHFFFAOYSA-N 290.338 3.756 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@@H](C)c2ccccc21 582809067 FFEKSBJLFXTKBT-DTDBQYNISA-N 271.404 3.806 30 20 CHED Cc1cccnc1C(C)(C)CNc1cccc(F)c1C#N 580021436 HPDSBCNGZNZWHF-UHFFFAOYSA-N 283.350 3.791 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](C)CN1CCCCC1 675742999 CJJMICXHEWBPEC-JKSUJKDBSA-N 252.446 3.585 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(Cl)nc(Cl)c2)C1 839444908 KXKPVHBGFOTNRC-SCZZXKLOSA-N 299.157 3.628 30 20 CHED N#CC1(N(C(=O)C[C@@H]2CCc3ccccc32)C2CC2)CCC1 585747835 HGZCOCAYQVPJBZ-HNNXBMFYSA-N 294.398 3.544 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(SC(C)(C)C)cc1 736677265 ZCAQCIDIUHFBSP-SNVBAGLBSA-N 262.378 3.675 30 20 CHED CCC1(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CCCC1 594037193 HCQZHVYDSSNIAJ-CQSZACIVSA-N 284.403 3.576 30 20 CHED COc1cccc([C@@H](C)/N=C\c2ccccc2O)c1 917558565 QOWTVQFSYCGRCV-ZSAINHDTSA-N 255.317 3.581 30 20 CHED CCCn1nc(C)c(-c2ccc(C#N)c(C)c2)c1C 596640606 MJRRWGJATVQVCY-UHFFFAOYSA-N 253.349 3.757 30 20 CHED COc1ccc(CNC[C@@H](C)c2ccc(F)cc2)cc1C#N 742370048 DGYQKAUATBYEOE-CYBMUJFWSA-N 298.361 3.599 30 20 CHED CC[C@@H](NCc1ccccc1C(C)(C)C#N)C1CC1 595766368 UELIGUZDJAYPFD-MRXNPFEDSA-N 256.393 3.766 30 20 CHED Cc1cc(C)c2c(c1)CCC2=NNc1cncc(Cl)n1 848404111 DWOVMQUBYGRMAF-UHFFFAOYSA-N 286.766 3.509 30 20 CHED CC1=C(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)CCC1 747234257 ZTVCDWHIGNVWDW-CYBMUJFWSA-N 279.343 3.548 30 20 CHED CCCCCCCCC(=O)OCC(=O)N1CCCCCC1 919222025 BTOMXDZCDBXETG-UHFFFAOYSA-N 297.439 3.683 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCCCC(C)(C)C#N 848798676 SNIDWXWYOQJEDN-AWEZNQCLSA-N 298.386 3.610 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/CCc2cc(F)ccc2C1=O 849246135 XJWMWEMZPVATLK-LCYFTJDESA-N 296.345 3.649 30 20 CHED C=CCCOC(=O)[C@@H](C)CCc1ccccc1F 744049112 IRMGTWYJYHNSBX-LBPRGKRZSA-N 250.313 3.514 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)COc2c(F)cccc21 748997957 MJVKHZSXVCUOBJ-POHAHGRESA-N 289.693 3.533 30 20 CHED N#Cc1ccc(C=NNc2cccc3cnccc23)s1 748788170 OJOHXKOXMBSFJB-UHFFFAOYSA-N 278.340 3.614 30 20 CHED CC(C)CC[C@H](NC[C@H](O)CC(C)(C)C#N)C(C)(C)C 598600484 FOKXNIJSQAETBB-CABCVRRESA-N 282.472 3.728 30 20 CHED C=CCCc1noc([C@H](C)OCCCCCC)n1 842507741 YZAKAFURJVETSQ-LBPRGKRZSA-N 252.358 3.846 30 20 CHED C=CCN(C(=O)COc1ccc(C(C)C)cc1)C(C)C 914682969 XYCDGBKUPRISCN-UHFFFAOYSA-N 275.392 3.612 30 20 CHED C=C(Br)COc1ccc(F)c2c1C(=O)C[C@@H]2C 918715456 ICMVQRUVALBYBI-ZETCQYMHSA-N 299.139 3.803 30 20 CHED CC(CCCCC#N)=NNC(=S)Nc1ccc(C)cc1 841603225 KSQHMDNGKIZAFR-UHFFFAOYSA-N 288.420 3.741 30 20 CHED C=C(Cl)COc1ccc(-c2noc(C3CC3)n2)cc1 747809467 UCAGFVFQLWDTDF-UHFFFAOYSA-N 276.723 3.745 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)CCCCCC#N 590894127 RMWFDZZFWYNRJV-DZGCQCFKSA-N 250.386 3.545 30 20 CHED C=CCOc1ccccc1C(=O)Oc1ccc(F)cc1 914037775 UOBHUPUDIFUSDS-UHFFFAOYSA-N 272.275 3.610 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C#N)C2CCCCC2)c1 599633132 MFLJVDKGLKGFTI-KSZLIROESA-N 296.414 3.687 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1c(F)cccc1F 924722068 QSNATNSYCRWVIN-GHMZBOCLSA-N 266.335 3.944 30 20 CHED Cc1cc(F)ccc1C=NNc1cc(F)c(F)c(F)c1 747642847 VIHOBOCHFDKRCI-UHFFFAOYSA-N 282.240 3.997 30 20 CHED CCOc1cccc(/C=C2\Cc3ccc(OC)cc3C2=O)c1 747441014 QLIOOODSOCPPCT-OQLLNIDSSA-N 294.350 3.916 30 20 CHED C=CCC1(CNC(=O)Nc2ccc(F)nc2F)CCCC1 844685893 HVPPBYFZRJNDML-UHFFFAOYSA-N 295.333 3.618 30 20 CHED C=CCC[C@H](N[C@H](C)c1cn(C)cn1)c1ccccc1 925579950 OVGZCNQAXCNKHP-ZBFHGGJFSA-N 269.392 3.778 30 20 CHED O=C(/C=C\c1ccccc1F)c1ccc2c(c1)COC2 742434201 DFKSXRRBYJLJLD-FPLPWBNLSA-N 268.287 3.752 30 20 CHED C=CCOCCCC(=O)Oc1cccc2sccc12 847123946 WFVYNVSYTOGGMO-UHFFFAOYSA-N 276.357 3.790 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cccc(C#N)c1 920375126 SMDBHFMBERUAAD-UHFFFAOYSA-N 271.270 3.673 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3cc(F)ccc3F)cnc12 757475837 SVTIDJYEJGEDMX-FNORWQNLSA-N 298.292 3.817 30 20 CHED Clc1ccccc1[C@H]1CCCC1=NNc1cnccn1 758104448 OZHDKYIHDXSMEZ-GFCCVEGCSA-N 286.766 3.866 30 20 CHED Oc1ccccc1/C=N\CCCSc1ccccc1 920944917 VRXFLNSUSHMCGF-LGMDPLHJSA-N 271.385 3.994 30 20 CHED Cc1n[nH]c(C)c1C=NNc1cc(Cl)ccc1Cl 751895334 KOWIXTUHEXTPTA-UHFFFAOYSA-N 283.162 3.779 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(Cl)cc1F)OCC 756500341 HEKOMDGBYWENHN-CYBMUJFWSA-N 286.730 3.756 30 20 CHED C=CCC(C)(C)CNC(=O)CC[C@@H]1CC1(Cl)Cl 854646884 JDQSBNDQXZJXSD-SNVBAGLBSA-N 278.223 3.679 30 20 CHED CCCCCCCCOCC(=O)N1CC[C@H](C)[C@@H]1C 752391903 WQMBTJIQYUVIGK-GJZGRUSLSA-N 269.429 3.620 30 20 CHED CSc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C(C)C)s1 858978444 GYRGCBDNISVBLY-VSKVDJIOSA-N 294.445 3.538 30 20 CHED CCCCCCCNC(=O)N[C@H](CC)c1ccncc1 858111289 ZZLAWHCFPCXYSL-OAHLLOKOSA-N 277.412 3.802 30 20 CHED Cc1ccccc1COC(=O)N(CCC#N)CC(C)C 858944798 PJTAHRRVNBZLAF-UHFFFAOYSA-N 274.364 3.503 30 20 CHED C#CC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 757598979 LWBCKLPWDHEGKR-KRWDZBQOSA-N 297.785 3.763 30 20 CHED C/C(=C\C(=O)N1CCCC(C)(C)[C@@H]1C#N)c1cccs1 857195315 UMWFFNPMXSQQBD-WONIAPNHSA-N 288.416 3.692 30 20 CHED CCCCCCC[C@H](C)CNC(=O)/C=C\SC 751565121 YASRQJFZNSHUFM-OEYXZAGESA-N 257.443 3.976 30 20 CHED CC(C)(C(=O)OCC(=O)c1ccc(C#N)cc1)C1CCCC1 757843614 WENCHAYWMHWXJM-UHFFFAOYSA-N 299.370 3.501 30 20 CHED COCC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(C)o1 926110026 PBTGERGBIFNLNW-OCCSQVGLSA-N 278.396 3.584 30 20 CHED N#CCCCOC(=O)c1ccccc1CCC(F)(F)F 758929431 YQUARSUZWOWVIM-UHFFFAOYSA-N 285.265 3.642 30 20 CHED C=CCCOCC(=O)OCc1ccc(Cl)c(Cl)c1 920723545 WEHFNINOSUCAKR-UHFFFAOYSA-N 289.158 3.629 30 20 CHED C(=NNc1nc2ccccc2[nH]1)[C@H]1C[C@H]1c1ccccc1 755489307 UABDSPZAVJIWSV-KGLIPLIRSA-N 276.343 3.764 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1cccc(CC#N)c1 854883591 FDVZBAHTTAGDHR-HNNXBMFYSA-N 262.328 3.610 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C=C(C2CC2)C2CC2)C1 855438185 CEMMNGQCRKEHRC-CYBMUJFWSA-N 259.393 3.548 30 20 CHED C#CC[C@@H](NC(=O)NC(C(C)C)C(C)C)c1ccccc1 757666038 DMFSOPKWLHHYFM-MRXNPFEDSA-N 286.419 3.731 30 20 CHED Cc1cc(C)c(NN=C2C(=O)Nc3c(F)cccc32)c(C)c1 753958792 AVRCJCBGXVGHAY-UHFFFAOYSA-N 297.333 3.519 30 20 CHED C#CCCOC(=O)Oc1ccc2oc3c(c2c1)CCCC3 858879772 SZSHIIKVZMRJOT-UHFFFAOYSA-N 284.311 3.850 30 20 CHED CCCC[C@@](C)(F)C(=O)Nc1ccc(C#N)cc1C(C)=O 857626518 KTWVXFDRLBLOCL-MRXNPFEDSA-N 290.338 3.618 30 20 CHED CCOC(=O)C[C@H]1CCCCC1=NOCc1ccccc1 754924547 VKKHNYLKBHUDEG-OAHLLOKOSA-N 289.375 3.703 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1ccc(-c2ccsc2)nc1C 854696889 PJLLLUXFXBUMOX-KRWDZBQOSA-N 298.411 3.650 30 20 CHED CCCOc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1C 858568899 ROVDQBBSMGNVLU-UKRRQHHQSA-N 258.365 3.888 30 20 CHED C=C[C@@H](CC(=O)O[C@@H]1C=CCCC1)c1ccccc1 758912848 OHZAHHHGNSQDBO-GOEBONIOSA-N 256.345 3.998 30 20 CHED C=CCC(CC=C)C(=O)O[C@@H](C)C(=O)c1ccc(F)cc1 759010796 LSQDIOJHOLDCNB-LBPRGKRZSA-N 290.334 3.709 30 20 CHED FC(F)(F)c1cccc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)n1 755740625 UAWAICQGWGYQJL-GARJFASQSA-N 281.281 3.710 30 20 CHED Fc1ccc(NN=CCCCCOc2ccccc2)nc1 753960695 UKQAPUWZXQBULJ-UHFFFAOYSA-N 287.338 3.868 30 20 CHED CC(Cc1cccc(F)c1)=NNc1nncc2ccccc12 759180811 VSDCDJRBEDQMRQ-UHFFFAOYSA-N 294.333 3.799 30 20 CHED C#CCCCC(=O)Nc1ccc2c(c1)N(CCCC)CC2 757994368 LWQHVQBSOSIHMA-UHFFFAOYSA-N 284.403 3.591 30 20 CHED C=C(C)CN1CCC[C@@H]1c1cncc(Br)c1 932245940 GIDJORAKXRJWIR-CYBMUJFWSA-N 281.197 3.557 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1ccco1 769826740 IWALCSOTIZILJW-UHFFFAOYSA-N 252.676 3.908 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N[C@](C)(C#N)CC(C)C 931304419 SABYIHVRRQVDMB-KRWDZBQOSA-N 290.407 3.944 30 20 CHED CC#CCCCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 767958173 BVGMXIVRMXCOEW-HNNXBMFYSA-N 276.339 3.605 30 20 CHED CC#CCCOC(=O)c1ccnc(SC(C)(C)C)c1 760287047 CEFSESASOOAFCI-UHFFFAOYSA-N 277.389 3.542 30 20 CHED CCCCCCCc1nc(-c2cncc(C)c2)no1 761577165 RUDYOKPONOFAOC-UHFFFAOYSA-N 259.353 3.953 30 20 CHED Cc1ccc(CN(C)C(=O)c2cc(C#N)ccc2C)s1 931810251 HWPPIVLGYAFBJZ-UHFFFAOYSA-N 284.384 3.509 30 20 CHED CC/C=C/CCOC(=O)CSc1ccc(C#N)cc1 767533429 FDWBGLMVFWNNQL-ONEGZZNKSA-N 275.373 3.550 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1cc(Cl)ccc1O 769610457 QHDDCFOJUBDKQB-FNORWQNLSA-N 298.729 3.589 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1sccc1C#N 931841852 HRYBVDXELNODNU-SNVBAGLBSA-N 265.382 3.520 30 20 CHED Cc1oc2ccccc2c1CC(=O)OCCCCC#N 767727750 QRDBFXJPXNXZEN-UHFFFAOYSA-N 271.316 3.521 30 20 CHED Fc1ccc(CON=C2CCCc3scnc32)cc1 863108031 IIMIRZBJPPFPSG-UHFFFAOYSA-N 276.336 3.539 30 20 CHED Fc1cccc(Cl)c1NN=C1CCn2cccc21 769827202 ROMWXUSNSPHJIT-UHFFFAOYSA-N 263.703 3.501 30 20 CHED Brc1ccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)cn1 762420156 FAYUNTCSZSLUKY-DCAQKATOSA-N 294.196 3.678 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 767091373 KBJCVBVAWVFOLU-OAHLLOKOSA-N 297.398 3.599 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1occc1C 767781692 KHGLWWMJANFIIP-UHFFFAOYSA-N 268.238 3.841 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)[C@H](C#N)c1ccncn1 760350622 BQPQXIQRWZFLOY-LSDHHAIUSA-N 285.391 3.649 30 20 CHED C=C[C@@H](COC)NC(=O)[C@@H](CCC)CC1CCCCC1 1116622918 NIOCMWKSWYQWAS-HOTGVXAUSA-N 281.440 3.690 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cnc(-c2ccc(C)cc2C)s1 767254009 GGZSCYBNMLQNTE-ZDUSSCGKSA-N 298.411 3.521 30 20 CHED CCC(CC)CC(=O)OCc1ccc(CC#N)cc1 776114156 XAGGMCITWMAKOA-UHFFFAOYSA-N 259.349 3.622 30 20 CHED C=CCC(CC=C)c1nc(Cc2ccc3c[nH]nc3c2)no1 771476703 DLFUFMKEZONNGN-UHFFFAOYSA-N 294.358 3.773 30 20 CHED N#C[C@H](OC(=O)c1cccc2[nH]ccc12)C1CCCCC1 776374790 TVXSNBMSOKQSNR-INIZCTEOSA-N 282.343 3.797 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1CCO[C@H]1C 770752377 OGLXCQCMQFQLMD-LSDHHAIUSA-N 269.429 3.668 30 20 CHED Fc1ccccc1NN=C1CCCNc2ccccc21 774373239 WTDWATMQQGYUJR-UHFFFAOYSA-N 269.323 3.848 30 20 CHED CC(CCOCc1ccccc1)=NNCCC(F)(F)F 872370143 SRCMZDICQDPPSJ-UHFFFAOYSA-N 288.313 3.511 30 20 CHED C#CCOc1ccccc1NC(=O)N[C@@H]1CC12CCCCC2 776096491 LQJUMSVSSGMLTH-MRXNPFEDSA-N 298.386 3.543 30 20 CHED C#CC[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1ccccc1 775400282 YMMPFKGPTMVMDZ-NZSAHSFTSA-N 285.431 3.936 30 20 CHED Clc1ccnc(NN=Cc2ccnc3ccccc23)c1 777905254 FDEWTWUXYCVRKM-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C[C@H](C#N)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 770945493 PPIXOAPMEIEGLQ-VXGBXAGGSA-N 296.370 3.609 30 20 CHED COc1ccc(O)c(C=Nc2cccc3cc[nH]c23)c1 773908099 UZWVTJFYGNVQLK-UHFFFAOYSA-N 266.300 3.633 30 20 CHED C#CCCCCCC(=O)N[C@@H](c1ccccc1)C(F)(F)F 779849829 IRKZEFKWCKUGMZ-HNNXBMFYSA-N 297.320 3.990 30 20 CHED C[C@H](OC(=O)Cc1ccccc1CC#N)c1ccccc1F 777167960 VWACBZFPLBAVGW-ZDUSSCGKSA-N 297.329 3.739 30 20 CHED C=CC[C@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 778419692 UZRKLMALNZPZIL-HNNXBMFYSA-N 271.360 3.829 30 20 CHED COc1ccc(C=NOC2CCCC2)c(Cl)c1OC 774597250 SATTYDGGXKDNHB-UHFFFAOYSA-N 283.755 3.650 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccccc1OCC1CC1 776381349 FIIMNDROGVVPLI-UHFFFAOYSA-N 287.359 3.572 30 20 CHED C=CCCN(C)Cn1nc(-c2ccc(C)cc2)oc1=S 786101751 PNOFNXZBOYLSAR-UHFFFAOYSA-N 289.404 3.646 30 20 CHED Clc1cncnc1NN=C1CCc2c(Cl)cccc21 780275183 KUGWXRJWQULGRW-UHFFFAOYSA-N 293.157 3.546 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1N1CC[C@@H](CF)C1 882839726 ZWIHFNRNPLKINQ-JTQLQIEISA-N 289.741 3.556 30 20 CHED CC[C@H](CC#N)OC(=O)c1cccc2c3c([nH]c12)CCCC3 787087570 VDIPPURIOKOXSM-GFCCVEGCSA-N 296.370 3.896 30 20 CHED COc1ccc(NN=C2CCc3cc(Cl)ccc32)nc1 780268890 MUFGEGBTYZMCLL-UHFFFAOYSA-N 287.750 3.506 30 20 CHED CC(=NN[C@@H]1CCOC1)c1ccc(Oc2ccccc2)cc1 788455594 GWENQWWSXYMSIO-MRXNPFEDSA-N 296.370 3.581 30 20 CHED C[C@@H]1CCCC(=NNc2nncc3ccccc23)[C@@H]1C 781116505 FCUPIZZETPMNPH-VXGBXAGGSA-N 268.364 3.854 30 20 CHED Cc1c(COC(=O)CC(C)(C)C#N)oc2ccccc12 786418404 RZRORFSLYPPAIJ-UHFFFAOYSA-N 271.316 3.724 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)C2CC(c3ccc(F)cc3)C2)C1 1122650055 OHDSBXXGBUXNHA-QPUFIGCCSA-N 287.334 3.555 30 20 CHED C[C@@H]1C(=NNc2ccc(C(F)(F)F)nn2)CCC[C@H]1C 781128801 VOKALKMUAZRWBP-BDAKNGLRSA-N 286.301 3.719 30 20 CHED C[C@@H](OC(=O)c1cc(-c2ccccc2)ccn1)C(C)(C)C#N 1122739491 OEBZNNXZDDZOIK-CYBMUJFWSA-N 294.354 3.844 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1cccc2cccnc12 782442415 LCOYUMRJIAIUJP-GOSISDBHSA-N 299.370 3.507 30 20 CHED C#CCC1(C(=O)Nc2cccc(OC)c2F)CCCCC1 788248382 JYGJVOVHPUCGNQ-UHFFFAOYSA-N 289.350 3.747 30 20 CHED C=CCCCc1nc(-c2cc3c(nc2O)CCCCC3)no1 897295143 KDVKPVAFYWJHGM-UHFFFAOYSA-N 299.374 3.615 30 20 CHED c1ccc2c(c1)COCC2=NNc1nccc2sccc12 782207239 VFPJKIDZVZMMSR-UHFFFAOYSA-N 295.367 3.643 30 20 CHED CCC(CC)NN=Cc1cnc(-c2ccco2)s1 782231678 MZABLMBUQWOYSF-UHFFFAOYSA-N 263.366 3.515 30 20 CHED N#Cc1ccc(C(=O)OCC2(c3ccccc3)CCCC2)[nH]1 789451706 MCCNOTRCCBSPPF-UHFFFAOYSA-N 294.354 3.555 30 20 CHED C=C1CC(c2noc([C@@H](O)[C@@H](C)c3ccc(C)cc3)n2)C1 896875675 KQEQPUHZKBPFRL-WFASDCNBSA-N 284.359 3.649 30 20 CHED C=CCCC[C@H](C)NC(=O)N(Cc1ccccc1)OC 780661998 MRXUQIDQHQKNMT-AWEZNQCLSA-N 276.380 3.504 30 20 CHED N#CC1(COC(=O)c2ccc(-c3cnco3)cc2)CCCC1 780534798 SMNWEPQDAXOTAG-UHFFFAOYSA-N 296.326 3.582 30 20 CHED CC1(C)C(=NNc2ccccn2)C[C@@H]1Oc1ccccc1 788964423 NQCTXBUSGUXGTQ-HNNXBMFYSA-N 281.359 3.727 30 20 CHED CCCCCCCCCN1CCCN(C(=O)CC)CC1 792208071 HXGOHBNLMAMMAI-UHFFFAOYSA-N 282.472 3.681 30 20 CHED C#C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(C)C 799041974 IWKDHBXWBPTMMX-CQSZACIVSA-N 297.320 3.569 30 20 CHED C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)CC1(C)C 545421397 XQXPNTXPNXYGMP-LBPRGKRZSA-N 260.356 3.565 30 20 CHED CC(C)(CC(=O)[C@H](C#N)c1ccncn1)C1CCCCC1 796846826 PVEVLAXGLVMYAT-CQSZACIVSA-N 285.391 3.649 30 20 CHED C=CCC(C)(C)C(=O)OCc1cnn(-c2ccccc2)c1 796461917 CDHKLHUFLOKPHK-UHFFFAOYSA-N 284.359 3.518 30 20 CHED Cc1cc(C=NNc2cccc(F)c2[N+](=O)[O-])c(C)s1 790306004 BYLLCKXDJVWXNB-UHFFFAOYSA-N 293.323 3.858 30 20 CHED C[C@@H](NN=Cc1ccnc2ccccc12)C(C)(C)C 793111598 KAXNPRMCWXVORH-GFCCVEGCSA-N 255.365 3.593 30 20 CHED N#Cc1c(F)cccc1N1CCS[C@@H]2CCCC[C@@H]21 301540142 BXJLGDMXDTWYSJ-LSDHHAIUSA-N 276.380 3.562 30 20 CHED CC(C)(C#N)CCCCOc1ccc(C=O)c(F)c1 404081446 SMTUVEYAIDWCOL-UHFFFAOYSA-N 263.312 3.737 30 20 CHED CC(C)C1CCC(NC(=O)Nc2cccc(C#N)c2)CC1 1202799269 MEIOPTUWAGVCIA-UHFFFAOYSA-N 285.391 3.895 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2cc(F)cc(C#N)c2)C1 1208346038 KJHWUKDMLBMUHZ-VXGBXAGGSA-N 289.354 3.645 30 20 CHED Cc1cccc2c1CC[C@H]2NCc1cccc(C#N)c1 105496823 IEVRXPPAVAKTJT-GOSISDBHSA-N 262.356 3.644 30 20 CHED CCc1cccc(C)c1NN=Cc1cccc2nccn12 799492784 SWQRQUQZQGDJOM-UHFFFAOYSA-N 278.359 3.651 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)C(=O)N1CCCC[C@H]1C 793523885 GUZMPMHABWTLMD-GVDBMIGSSA-N 294.483 3.891 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)c1ccc(C#N)o1 797012451 KVQSLXBXWVHMEL-ABAIWWIYSA-N 281.311 3.865 30 20 CHED Fc1ccc(NN=Cc2ccnn2-c2ccc(F)cc2)cc1 794456055 RHIWVBVJSNMFOD-UHFFFAOYSA-N 298.296 3.597 30 20 CHED C=C(C)CNC(=S)N[C@H]1CCC[C@@H](c2ccccc2)C1 792697659 DLEGNTROHLYFQL-CVEARBPZSA-N 288.460 3.753 30 20 CHED N#C[C@@H](C(=O)[C@H](F)CC1CCCCC1)c1ccccn1 796632869 NZFCLRGFVZHAPQ-ZIAGYGMSSA-N 274.339 3.566 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc(Cl)cc1 796836827 RJWHOTWQAUPKNM-HZMBPMFUSA-N 265.740 3.884 30 20 CHED N#Cc1sc(N2CC[C@@H](C3CCCC3)C2)nc1Cl 708863918 MZTPRVCFGKWODK-SNVBAGLBSA-N 281.812 3.685 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)ccc1C#N 799494203 CFRMPBAXSKZHKC-CLTKARDFSA-N 299.276 3.741 30 20 CHED CCCCCCCN1CC[C@H](CN(CC)CC)C1 744418869 GHIVQDFFKOZWBQ-MRXNPFEDSA-N 254.462 3.621 30 20 CHED N#Cc1ccc(NC[C@H]2CCC=CO2)cc1C(F)(F)F 88191162 KHKYWOQFIAPZCB-GFCCVEGCSA-N 282.265 3.682 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1Nc1ncc(C#N)cc1F 1307141474 YNMDJWWDTBOVHO-WCQYABFASA-N 261.344 3.719 30 20 CHED N#Cc1cc(N(CCc2ccccc2)C2CCCC2)ccn1 1307132490 KYGGOBGHTDYQNK-UHFFFAOYSA-N 291.398 3.945 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)[C@H]1CCCC[C@@H]1C 1307687302 YXPQQNLRCCWCLR-YOEHRIQHSA-N 286.419 3.967 30 20 CHED C#CCCCCCC(=O)N(C)Cc1cc2ccccc2[nH]1 1319931568 PPRRBSFXAIFDFS-UHFFFAOYSA-N 282.387 3.710 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)Nc2sccc2C#N)C1 1310956870 RKJMADWENASFMK-NSHDSACASA-N 291.420 3.910 30 20 CHED Cc1cccc(-c2nnc(-c3ccc(C#N)cc3)o2)c1F 1322325243 LTGVDPFCCDRGFI-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C[C@H]1CCC[C@@H]1Cc1nnc(-c2ccc(C#N)cc2)o1 1327864375 JSDQEYAEMHKYSX-SMDDNHRTSA-N 267.332 3.587 30 20 CHED N#CCc1cccc(NCC2CCCCCCC2)n1 1325709715 DBXNYDSAQKNYPW-UHFFFAOYSA-N 257.381 3.920 30 20 CHED Cc1coc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1C 1321845361 QPBPGOQTNUXTON-CYBMUJFWSA-N 288.734 3.545 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@H]2c2ccccc2)n1 1321478979 XBRCKDRYXCKKBP-KRWDZBQOSA-N 277.371 3.912 30 20 CHED CC(C)[C@H]1CCC[C@H](NCc2cccc(C#N)n2)CC1 1621272146 WXRAOKBLFIIXNR-GJZGRUSLSA-N 271.408 3.648 30 20 CHED C=C(Cl)COC(=O)c1ccc(COC(C)C)cc1 804004387 KUGIHGFVVWOOGA-UHFFFAOYSA-N 268.740 3.521 30 20 CHED C#Cc1ccc(NC[C@H]2CCCO[C@H]2c2ccccc2)nc1 1336476977 OILUJBKFBVRYBR-MJGOQNOKSA-N 292.382 3.643 30 20 CHED CCN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@H](C)C#N 1331283818 WTOFRDNFJRXBAZ-ORAHPGNNSA-N 297.185 3.767 30 20 CHED C=C(C)CCC(=O)NC[C@@H](COC)c1ccc(Cl)cc1 1336519230 IXLLAJCJBBIAEW-AWEZNQCLSA-N 295.810 3.543 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)c1csc(C#N)c1 1261253946 TYYTUIAPTQAUDM-UHFFFAOYSA-N 298.411 3.918 30 20 CHED CCC[C@@H](C)C(=O)[C@@H](C#N)c1nccn1Cc1ccccc1 1346538211 VNQNPUCIYAZOIP-GDBMZVCRSA-N 295.386 3.544 30 20 CHED N#C[C@H](OC(=O)c1ccc(-c2cccs2)s1)C1CC1 1344023328 SHRBYIJAQBUQQZ-JTQLQIEISA-N 289.381 3.936 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(Br)co1 1262655091 BCTFJPKPFLNTSV-LLVKDONJSA-N 298.180 3.613 30 20 CHED CCCCCC[C@](C)(CC)C(=O)[C@H](C#N)c1nccn1C 1343854234 WXJKOGBMCAUFNB-YOEHRIQHSA-N 289.423 3.983 30 20 CHED C#C[C@H](CC)NCc1ccc(Cl)c(C(F)(F)F)c1 809685933 AFXOEBOZYJZEFP-SNVBAGLBSA-N 275.701 3.860 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1ccc(C#N)cc1F)CCC2 1435122824 IGHWPYVBIDDUIH-UHFFFAOYSA-N 294.329 3.599 30 20 CHED Cc1ccc(COC(=O)c2cccc(C#N)c2C)cc1F 1358426742 FSPANQFXBHCZSC-UHFFFAOYSA-N 283.302 3.671 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@H]1CCCC(C)(C)C1 1436616450 GUDWXJQTJCSIQT-ZDUSSCGKSA-N 287.359 3.692 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(CC(C)C)s1 1355088586 MDTRWWGWIJXVAH-LBPRGKRZSA-N 278.421 3.711 30 20 CHED C[C@@H](OC(=O)c1ccc(F)c2occc12)C(C)(C)C#N 1517462170 WIAWFIXPXVRCJV-SECBINFHSA-N 275.279 3.667 30 20 CHED C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCCCC1 1521925203 OVJAOGOLJMOYGX-KDOFPFPSSA-N 288.435 3.936 30 20 CHED Cc1ccc(CCOC(=O)[C@@H](CC#N)c2ccccc2)cc1 1538773039 WTPISAXGVJMRPL-SFHVURJKSA-N 293.366 3.778 30 20 CHED N#Cc1ccccc1S[C@@H](C(=O)O)c1ccc(F)cc1 1608221760 PWZPHNDSNUKRGY-CQSZACIVSA-N 287.315 3.615 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)Cc1cc(C#N)ccc1OC 1473389702 WIHFUHHRNGKKFU-WBVHZDCISA-N 286.419 3.967 30 20 CHED CCCCC1CCC(NC(=O)N2CCC[C@@H](C#N)C2)CC1 1477574853 TYBBTJMFGMDYAI-PCKAHOCUSA-N 291.439 3.681 30 20 CHED C=C(Br)CN1CCC[C@@H](C)[C@H]1CCC 1559615817 KICPIARVIUOMIG-ZYHUDNBSSA-N 260.219 3.796 30 20 CHED CS[C@H]1CCC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 227358435 KSGDDVAQHNLAFL-MNOVXSKESA-N 282.359 3.923 30 20 CHED C=C(C)c1cccc(NC(=O)c2cccc(CC(=O)O)c2)c1 1573325484 KISPZLXJXUVNMJ-UHFFFAOYSA-N 295.338 3.599 30 20 CHED CCCCCCCCC(=O)N(Cc1cnn[nH]1)C(C)(C)C 1576394362 JIFSGPZBRWBFTG-UHFFFAOYSA-N 294.443 3.682 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)c2ccccc21 1647944114 DZHMDZJOEQXWGL-UHFFFAOYSA-N 280.346 3.995 30 20 CHED N#Cc1cnc(NC[C@@H]2CCC[C@H]2C2CC2)c(Cl)c1 1655567176 OGQZIANLQJIMFM-STQMWFEESA-N 275.783 3.845 30 20 CHED COc1cccc([C@H](C)NCC(C)(C)CCC#N)c1 229690207 BVVPJLQCWMGCMV-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 20095403 FUNPQIYVJVBSKB-GFCCVEGCSA-N 254.308 3.548 30 20 CHED C=C(C)CCCC(=O)Nc1cc(C)c(C(=O)O)c(F)c1 1776138378 WPRKAIOABYKIDE-UHFFFAOYSA-N 279.311 3.517 30 20 CHED C=C(CNC(=O)N1CC[C@H](C2CCCC2)C1)c1ccccc1 1683121762 QOSLZKRHDKYXEE-SFHVURJKSA-N 298.430 3.922 30 20 CHED O=C(O)Cc1ccc(NN=C[C@H]2C[C@H]2c2ccccc2)cc1 1776084671 HRDAKVRRTZHNSE-WBVHZDCISA-N 294.354 3.515 30 20 CHED CC(C[C@H]1C=CCC1)=NNc1ccc(C(=O)O)cc1 1776013654 JJHIRHFUJSMJGV-LBPRGKRZSA-N 258.321 3.529 30 20 CHED C=CCC1(C(=O)O)CCN(CC2CCC3(CC2)CC3)CC1 1776159032 FSWVNHPRLJZDIL-UHFFFAOYSA-N 291.435 3.700 30 20 CHED COc1cc2c(cc1CNc1ccc(C#N)cc1)O[C@H](C)C2 161865531 XBSSCTCQKSQBBR-GFCCVEGCSA-N 294.354 3.502 30 20 CHED N#Cc1cccc(CNCC2(Cc3ccccc3)CC2)c1 158900514 FGQOFLKZHPNCQQ-UHFFFAOYSA-N 276.383 3.671 30 20 CHED CC(C)(C#N)CCC[S@](=O)c1ncc(C(C)(C)C)s1 160427234 UBKJBNXOMBJQLZ-LJQANCHMSA-N 298.477 3.878 30 20 CHED CCCCCCCS(=O)(=O)Cc1ccccc1OCC 164411937 QVJWYJWVWDYRDV-UHFFFAOYSA-N 298.448 3.971 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CCCc3ccccc32)CC1 153028063 HLPYGULQCVUZFS-LJQANCHMSA-N 284.447 3.694 30 20 CHED CCN(C(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1 154925614 KOFDUWYDSYIRGI-UHFFFAOYSA-N 292.329 3.631 30 20 CHED C#CCCCCNC(=O)N(C)[C@H](C)c1ccccc1Cl 154951188 HVUHWQINPORNAB-CYBMUJFWSA-N 292.810 3.846 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 155639213 QYVXRNXRJUBWPC-LBPRGKRZSA-N 287.325 3.949 30 20 CHED C[C@@H](NCc1ccc(F)cc1)c1cccc(C#N)c1 37211151 CAIPRMXCQPDPHV-GFCCVEGCSA-N 254.308 3.548 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 37748275 SUVKDOWAXHLVOR-KRWDZBQOSA-N 268.335 3.938 30 20 CHED CCCC[C@H](CC)CNC(=O)Nc1ccc(C#N)cc1 48438710 ISGNJGJGBFTIOF-ZDUSSCGKSA-N 273.380 3.896 30 20 CHED C[C@H]1Cc2ncn(CCCC(C)(C)C#N)c2C[C@H]1C 295911356 IYCRXKWUNRFVPV-QWHCGFSZSA-N 259.397 3.584 30 20 CHED C[C@@H]1CCCC[C@H]1CNCc1ccc(C#N)c(F)c1 404111924 JXMFBWMHTDHWKD-DOMZBBRYSA-N 260.356 3.613 30 20 CHED C[C@H](NC1CCC(F)(F)CC1)c1ccc(C#N)cc1 334173589 ARLYBERNSMWMMZ-NSHDSACASA-N 264.319 3.787 30 20 CHED Cc1cc(Cl)ccc1C(=O)N1CCC(CCC#N)CC1 335384127 DWUJUXDGULNUES-UHFFFAOYSA-N 290.794 3.804 30 20 CHED C=CCCSCCNCc1cnc(C(C)(C)C)s1 594960623 WPKNKYBSDCDWBV-UHFFFAOYSA-N 284.494 3.840 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cc(C)ccc1C 804836564 PZPHQOIWXMIOBO-UHFFFAOYSA-N 277.367 3.579 30 20 CHED N#CCc1ccc(CSc2cccc([N+](=O)[O-])c2)cc1 399012511 CCONGNKRBHPSSV-UHFFFAOYSA-N 284.340 3.953 30 20 CHED C=C(Cl)CN1CCc2ccc(Br)cc2C1 792893055 XJDLQVDSINHFAS-UHFFFAOYSA-N 286.600 3.560 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CC=CC[C@@H]1C 341680119 SSEYSYIXPXJCIQ-KBPBESRZSA-N 262.397 3.520 30 20 CHED N#Cc1cccnc1NC[C@@H]1CCCC[C@H]1C(F)(F)F 484829492 NLKWGIVBDIWILS-NWDGAFQWSA-N 283.297 3.734 30 20 CHED C=CCCCN1CCC[C@@H]1c1cccc2c1OCCO2 117878364 GWZTZFTUSWTMFC-OAHLLOKOSA-N 273.376 3.561 30 20 CHED C[C@@H]1CCC[C@@](CNc2cccc(F)c2C#N)(N(C)C)C1 108643650 KDCHTXPQDFUCBX-CXAGYDPISA-N 289.398 3.620 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(OC(F)(F)F)cc1 112543784 UDLIDQZVOFWPEI-LLVKDONJSA-N 286.297 3.930 30 20 CHED Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccc(C#N)cn1 107429641 LOMNALLBGCOJGK-UHFFFAOYSA-N 294.354 3.778 30 20 CHED N#CC1(C(=O)Nc2ccc3c4c(cccc24)CC3)CCCC1 53721920 ZEAQWPIPOQITHW-UHFFFAOYSA-N 290.366 3.961 30 20 CHED CCn1cc(C(=O)O[C@H](C)C(C)(C)C#N)c2ccccc21 178812108 GWPGZGUSRMEVBN-GFCCVEGCSA-N 284.359 3.756 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CC2=CCCCC2)n1 106982279 ONJLKRPBXOSWTH-LBPRGKRZSA-N 260.362 3.518 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ccnc(C)c1 119423898 GGFRNKKQNUTPAW-UHFFFAOYSA-N 281.359 3.610 30 20 CHED CC(C)c1cnc(NC(=O)C2(C#N)CCCCC2)s1 172672294 RNKCCGYTNANFRL-UHFFFAOYSA-N 277.393 3.679 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@@H](SCC)C1 175900055 SDRKFENGOHXMBY-ZIAGYGMSSA-N 284.469 3.658 30 20 CHED C#CCCCNC(=O)c1c(Cl)ccc(Cl)c1Cl 179268869 FYHHKGVJTDWHOZ-UHFFFAOYSA-N 290.577 3.790 30 20 CHED CC(C)COc1ccc(CNCc2cccc(C#N)c2)cc1 69784901 RVNXYFLQLWVHLT-UHFFFAOYSA-N 294.398 3.883 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1 25841102 VXOVLDFUDJLGKI-UHFFFAOYSA-N 295.342 3.605 30 20 CHED C=CCCCC(=O)Nc1ccccc1OC(F)F 177499449 QVAFSZIVYQQDIE-UHFFFAOYSA-N 255.264 3.583 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1ccccc1 178540894 FFYDRXQKVUVNKP-CYBMUJFWSA-N 279.343 3.749 30 20 CHED C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 173925077 LOFIIFKBZXZSDZ-MPGHIAIKSA-N 286.419 3.804 30 20 CHED N#Cc1ccc(CNCc2ccc(C3CC3)cc2)cc1F 404760539 NNLAKAWWTAZRRE-UHFFFAOYSA-N 280.346 3.865 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC12CCCCC2 179365679 YUMDXRAQFSLUDF-OAHLLOKOSA-N 283.375 3.711 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2oc(C3CC3)nc2c1 117000266 ARYTYLQDPYCZAO-JTQLQIEISA-N 285.347 3.791 30 20 CHED CN(C(=O)c1cc2ccccc2o1)c1ccc(C#N)cc1 61954724 YVKVHCSXBOFFGE-UHFFFAOYSA-N 276.295 3.581 30 20 CHED C[C@H](C[C@H](O)c1cccs1)Nc1ccc(F)cc1C#N 128973683 XCYCCVWRLDMMPB-YGRLFVJLSA-N 290.363 3.683 30 20 CHED CC(C)(CNCc1ccc(C#N)s1)c1cccc(F)c1 176972205 FNSWKYKMKLSSSQ-UHFFFAOYSA-N 288.391 3.826 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H](C)Cc1ccc(Cl)cc1 120228036 ZVZDIJAXEWSYHZ-CHWSQXEVSA-N 292.810 3.527 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(Br)cc1 129154850 MXTJZFOAFAWPOQ-JTQLQIEISA-N 281.197 3.649 30 20 CHED O=C(O)c1cccc(/C=C/C(=O)c2c[nH]c3ccccc23)c1 126371507 CMTJIWRXLZPLIL-CMDGGOBGSA-N 291.306 3.762 30 20 CHED CCCCCCCSc1nnc(CSC)o1 125543070 QAIHZTKPTSDHQO-UHFFFAOYSA-N 260.428 3.995 30 20 CHED CC#CCCCC(=O)Nc1nc2c(s1)CCCCC2 185115072 OXGJUMFZDGNIGQ-UHFFFAOYSA-N 276.405 3.544 30 20 CHED C=CCOCCCc1nc(-c2cc3ccccc3o2)no1 129480794 SYRWPHNLQKBQFS-UHFFFAOYSA-N 284.315 3.618 30 20 CHED N#CCCCCN[C@@H](c1ccccc1)c1ccc(F)cn1 183551112 IFXHQGBINQOGTM-KRWDZBQOSA-N 283.350 3.594 30 20 CHED N#Cc1c(F)cccc1NCc1cccc2cccnc12 36138475 QNJACVXOUGMNQW-UHFFFAOYSA-N 277.302 3.858 30 20 CHED N#CCc1ccc(NC(=O)c2nc3ccccc3s2)cc1 121448397 HVOCBJZSTOBHEA-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C=C[C@H](C)NCc1ccc(SC(F)(F)F)cc1 123193250 HJDBUHGMGWJGLK-VIFPVBQESA-N 261.312 3.963 30 20 CHED COCCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(C)c1 185729664 WZBQAHUZKKOSOS-LSDHHAIUSA-N 288.391 3.515 30 20 CHED C=CCCCCCSCc1nc(C(=O)OC)cs1 419497024 MSEJABLQRNJWKE-UHFFFAOYSA-N 285.434 3.909 30 20 CHED CC(C)(C#N)CC(=O)NC1CCC(C)(c2ccccc2)CC1 501748161 TXUWIKCEHCHYEJ-UHFFFAOYSA-N 298.430 3.943 30 20 CHED C=CCOc1cccc(CN[C@H](CCOC)C(C)(C)C)c1 509964279 SKBAIOITGLBALZ-QGZVFWFLSA-N 291.435 3.792 30 20 CHED Cc1nnc(SCCCC#N)n1[C@H]1CCC[C@H](C)C1 127311803 RUVFXXWQOBNPHK-AAEUAGOBSA-N 278.425 3.734 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCC1(C2CC2)CC1 124001056 JMQBJWJORRFAOK-UHFFFAOYSA-N 298.430 3.617 30 20 CHED CCOc1cccc([C@@H](C)NCc2ccc(F)c(C#N)c2)c1 180678652 ITHITEQJVOPMAV-CYBMUJFWSA-N 298.361 3.947 30 20 CHED CCN(CC#N)C(=O)c1oc2c(ccc3ccccc32)c1C 124177378 UFCBNCIMRWMYBG-UHFFFAOYSA-N 292.338 3.880 30 20 CHED CC[C@@H](C#N)N[C@@H]1CCSc2ccc(Cl)cc21 122200101 MLLXAHQHYLRTKN-CMPLNLGQSA-N 266.797 3.769 30 20 CHED C=CCCCN(C)C(=O)CCc1ccc(Cl)c(OC)c1 124004997 IVHVNVZCDCQFSK-UHFFFAOYSA-N 295.810 3.706 30 20 CHED C=CCCCC(=O)NC[C@H](c1ccccc1)C(F)(F)F 187765860 SKLBHXHCFQQBPP-CYBMUJFWSA-N 285.309 3.805 30 20 CHED CCCCCOc1ccc(C(=O)N[C@@](C)(C#N)CC)cc1 127499413 ZSFAVFWHAWOHJD-QGZVFWFLSA-N 288.391 3.678 30 20 CHED CC1=CCC[C@H](C)[C@H]1CNCc1ccc(OCC#N)cc1 187213121 KOJVRMDWJWVYLG-YJBOKZPZSA-N 284.403 3.671 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC(F)(F)F 369804856 YCWKFAHZWNMBHX-KGLIPLIRSA-N 282.309 3.711 30 20 CHED CCC[C@H](C)CC(=O)Nc1ccccc1O[C@@H](C)C#N 182145532 WFPVTHDVQFLCMS-STQMWFEESA-N 274.364 3.742 30 20 CHED CCCN(CC#N)CCCc1ccccc1Cl 181893312 HHHXLNXMQAYAIN-UHFFFAOYSA-N 250.773 3.508 30 20 CHED C=CCC[C@H](NS(=O)(=O)C[C@H](C)CC)c1ccccc1 503224246 RBAWNUONEHWZFH-ZBFHGGJFSA-N 295.448 3.659 30 20 CHED N#Cc1cccc(CN[C@H]2CCCOc3c(F)cccc32)c1 180442329 WFHLLWOOFAOLCA-KRWDZBQOSA-N 296.345 3.701 30 20 CHED N#Cc1ccccc1NC(=O)/C=C\c1ccc(Cl)cc1 33322265 GBQLQSRWJAZKBZ-YFHOEESVSA-N 282.730 3.864 30 20 CHED C[C@H](NC(=O)CC1=CCCCC1)c1cccc(C#N)c1 75273568 LBHJLEAYGRCLGM-ZDUSSCGKSA-N 268.360 3.626 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(-c2cccs2)nc1C 78771083 MAMIBZPIJVTTOM-UHFFFAOYSA-N 298.411 3.933 30 20 CHED Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1C(=O)NC(C)C 185746991 IMXXMOGVCDGVLD-CABCVRRESA-N 299.418 3.628 30 20 CHED CC[C@H](CC#N)NCc1cc2cc(C)c(C)cc2o1 184081941 MSRMCTHASKGVEG-CQSZACIVSA-N 256.349 3.832 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1oc2ccccc2c1C 183629166 CWPWVRZACNZXOC-KBPBESRZSA-N 273.376 3.719 30 20 CHED C=CCCc1ccccc1NC1CCC(C(=O)O)CC1 414643780 YFYMZERLBPWUGT-UHFFFAOYSA-N 273.376 3.861 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 412318930 RNLCQBQMKMHNND-HIFRSBDPSA-N 287.403 3.802 30 20 CHED Cc1cc([C@H](C)Nc2ncc(C#N)cc2F)c(C)s1 413055957 UTCPPTBEGPVKCX-VIFPVBQESA-N 275.352 3.944 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccc(C2CCCCC2)cc1 77179768 HGFKOYHMYGOVBC-AWEZNQCLSA-N 284.403 3.966 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C=C(C)C)cc1 131484479 OBKIVNYRTITKSF-CZUORRHYSA-N 298.386 3.814 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Oc1ccccc1Cl 410140660 BPEUWIYCLOOFSP-NEPJUHHUSA-N 281.783 3.578 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)ccc1OC(F)F 425719604 WHUCBDVZQBGKTM-UHFFFAOYSA-N 290.697 3.639 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OCC)c(OC)c1 424550238 XUBFNRXTJLAWCF-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C=CC[C@H](CO)CN[C@@H]1CCSc2cc(C)c(C)cc21 427523913 WMDBGAJQKPVUCH-GOEBONIOSA-N 291.460 3.615 30 20 CHED C=CCC[C@H](NCC1(N)CCCCC1)c1ccco1 423180459 NUZJGTAYHMDPTH-AWEZNQCLSA-N 262.397 3.538 30 20 CHED CC1(C)SC[C@@H]1/N=C(/O)C/N=C(/O)CC1CCCCC1 328699171 MCKJHKACMLVJIH-LBPRGKRZSA-N 298.452 3.764 30 20 CHED C[C@H](Nc1ncccc1C#N)[C@@H](C)c1ccccc1 80688113 MFTKJCXVHBYOPL-OLZOCXBDSA-N 251.333 3.557 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1C[C@H]1C 514975375 ZARMHBCMJPOCCH-PBHICJAKSA-N 284.403 3.589 30 20 CHED CN(Cc1ccc(Cl)s1)Cc1ccccc1C#N 42211276 ZUJLOQHTMKVQKE-UHFFFAOYSA-N 276.792 3.905 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424967851 SNINBZUNJQZLSQ-USXIJHARSA-N 282.387 3.545 30 20 CHED CCCn1c(CNc2ccc(C#N)cc2)nc2ccccc21 194192485 NKBITIVCNOSQMO-UHFFFAOYSA-N 290.370 3.930 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](CC)c1ccc(OC)cc1 191810178 CKMZEWUUSBBWQC-DOTOQJQBSA-N 275.392 3.865 30 20 CHED N#CCN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 88602194 ZRSTVXPEGIQBPW-KRWDZBQOSA-N 282.774 3.963 30 20 CHED CC[C@H](C)[C@@H](NC(=O)c1cccc(C#N)c1C)C(F)(F)F 511333115 LPDKWWFIHIJMOG-TVQRCGJNSA-N 298.308 3.574 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(Oc2ccncc2)c1 337083590 BREPDNGKTWLGPZ-OAHLLOKOSA-N 296.370 3.958 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 195252206 JGKNWYZSLVZXBW-OALUTQOASA-N 292.382 3.568 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC[C@H](F)C2)c1 519707410 FLVXJLHGHWTPQG-STQMWFEESA-N 292.354 3.654 30 20 CHED COC(=O)CC1(C/N=C(/O)C2=C(C)CCC2)CCCCC1 331034360 KZRPMYUWSLNJMJ-UHFFFAOYSA-N 293.407 3.957 30 20 CHED COc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)cc1C#N 87833187 OMRKHGDNDSMFRP-HZPDHXFCSA-N 284.403 3.579 30 20 CHED CC(C)Oc1ccccc1NCCOc1ccc(C#N)cc1 515664396 YBNIGFAKHRCXNZ-UHFFFAOYSA-N 296.370 3.836 30 20 CHED C[C@H](CC1CCCC1)C(=O)N1CCc2c(C#N)cccc21 421652009 OPIAUSTWAAJDHT-CYBMUJFWSA-N 282.387 3.664 30 20 CHED CCCC[C@H](C)N(C)C(=O)[C@H](C#N)CCc1ccccc1 428158666 RLBQSSBNYMXXJF-RDJZCZTQSA-N 286.419 3.796 30 20 CHED CC(C)(CCC#N)CNCCC(C)(C)C(=O)OC(C)(C)C 424184780 FROXDIRGKGWKHV-UHFFFAOYSA-N 296.455 3.664 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(C)Cc1cccc(C#N)c1 516391272 BPTXEHTXSWGXCH-PBHICJAKSA-N 284.403 3.733 30 20 CHED CC(C)C[C@H](C)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425470824 HSXXKVXIHIHCBI-UONOGXRCSA-N 287.407 3.695 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(N3CCCC3)cn2)no1 515483434 IBMBLXMZIQBICE-UHFFFAOYSA-N 298.390 3.586 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@H]1CCCO[C@H]1C 330177361 KQQOADSDIQDUTH-JSGCOSHPSA-N 299.374 3.788 30 20 CHED C=CCCCc1nc(-c2c(C)nc3sc(C)cn23)no1 426618569 FXJQTAMRWNDRDG-UHFFFAOYSA-N 288.376 3.571 30 20 CHED CCC1(CC)CCC(/N=C(/O)N[C@@H](C(=N)O)C(C)C)CC1 331001913 FZWVNFZFEZLSCF-CYBMUJFWSA-N 297.443 3.799 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(N(C)C)cc1C 334641422 SCDNEHPRDJTYBY-CQSZACIVSA-N 287.407 3.633 30 20 CHED C[C@@H]1CCCC[C@H]1/N=C(/O)Nc1ccc([N+](=O)[O-])cc1F 330868385 WGDRCMZWCIEXAT-BXKDBHETSA-N 295.314 3.639 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)ccc1O 97993035 FGUIMIOKMFPSAY-YVMONPNESA-N 282.339 3.914 30 20 CHED Cc1cc2cc(NC(=O)c3cc(C#N)oc3C)ccc2[nH]1 436077944 WJENLPGAQSBNAC-UHFFFAOYSA-N 279.299 3.502 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2ccccc2CC#N)CC1 335457970 VZCYAYHCEQZLQP-OAHLLOKOSA-N 268.360 3.828 30 20 CHED C[C@@H](C(=O)N1CCCc2cc(C#N)ccc21)c1ccsc1 335377404 ZNMIJMWRKHTJLI-GFCCVEGCSA-N 296.395 3.703 30 20 CHED Cc1cc(Cl)cc(C)c1CN(C)[C@H](C)CC#N 93090468 JEXXNPZAPKMTPQ-GFCCVEGCSA-N 250.773 3.691 30 20 CHED Cc1cccc(C)c1OCCCNCc1ccc(C#N)cc1 237650902 DBFDFJDQSNDVBS-UHFFFAOYSA-N 294.398 3.734 30 20 CHED C=CCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 437361323 CRDJOGWLUHVNIS-SMDDNHRTSA-N 281.758 3.808 30 20 CHED C=CCC[C@@H](NC(=O)N[C@H](C)c1ccon1)c1ccccc1 347823559 UXPNWEZBXMRPHI-CZUORRHYSA-N 299.374 3.742 30 20 CHED CCN(CCCSCC#N)[C@H]1CCCC[C@H]1C 249401422 SSMJUQBCSNKBJR-KGLIPLIRSA-N 254.443 3.534 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(-c2ccncc2)cc1 343588582 UHLIZXCROLLNOW-AWEZNQCLSA-N 277.371 3.703 30 20 CHED C[C@@H](CC1CC1)N[C@H]1CCCc2cc(C#N)ccc21 341716965 ZNWKXLQDDAKOTP-SJCJKPOMSA-N 254.377 3.714 30 20 CHED N#Cc1ccc(OCCNc2cccc(Cl)c2F)cc1 247657443 QHSCRIHDBUMMNE-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 528784753 PYAOSLKOSXFBRK-CHWSQXEVSA-N 264.413 3.647 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cc(C)c(O)c(C)c2)no1 436880402 QOSMIFJOONUROD-MRXNPFEDSA-N 272.348 3.913 30 20 CHED Cc1cc(NCc2cc(-c3ccccc3)no2)cc(C#N)n1 341552085 SDXBWIMKOKSKPT-UHFFFAOYSA-N 290.326 3.529 30 20 CHED Cc1[nH]c(=N[C@@H](C)c2cc3ccccc3o2)ccc1C#N 436716668 UUWKJRQCBJJFES-LBPRGKRZSA-N 277.327 3.603 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2cncnc2)cc1 341511965 NQBVGWBZNYGJPU-ZDUSSCGKSA-N 281.359 3.684 30 20 CHED C[C@H](CC#N)N[C@H]1CCCc2ccc(Br)cc21 602869524 OIKTZJDZJUYRGO-YGRLFVJLSA-N 293.208 3.718 30 20 CHED N#Cc1c(F)cccc1-c1ccc(C[C@H]2CCNC2)cc1 600790929 NHRRSBSWJJRMCF-CQSZACIVSA-N 280.346 3.516 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccnc2ccccc12 346604297 MGBGORKQJCIHAH-UHFFFAOYSA-N 273.339 3.743 30 20 CHED Cc1ccc(C#N)c(NCCc2c(C)cccc2C)n1 346817879 PCRYMQVCGIIGFX-UHFFFAOYSA-N 265.360 3.533 30 20 CHED Cc1ccc(CNC[C@H](C)CCC#N)c(OCC2CC2)c1 602573919 NYASZOURXOEJSP-OAHLLOKOSA-N 286.419 3.813 30 20 CHED COc1cc(C)c([C@@H](C)N2CCC[C@H](CC#N)C2)cc1C 602709986 UFNVLGCQEXKBLR-HZPDHXFCSA-N 286.419 3.999 30 20 CHED Cc1ncsc1/C=C\C(=O)c1ccc(F)cc1F 255638066 NVVKETKLRLVNHO-PLNGDYQASA-N 265.284 3.626 30 20 CHED C=CCN(Cc1cccc(OC(F)(F)F)c1)C1CC1 541762008 KAWYNQURSOQVEO-UHFFFAOYSA-N 271.282 3.736 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl 435585057 PKFSOIMSBGPUNC-YGRLFVJLSA-N 296.754 3.641 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 251502982 FQOLCNZSGRKJTC-KKUMJFAQSA-N 276.424 3.744 30 20 CHED CC1CC(C#N)(C(=O)NCC[C@H](C)CC(C)(C)C)C1 527201215 JTFIOSRVHANWNV-FUJMWEONSA-N 264.413 3.505 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 602393266 UJEYVXNOVDQHCW-IJEWVQPXSA-N 298.361 3.593 30 20 CHED CCOc1ccc(C(=O)/C=C\c2cccc3nccn23)cc1 255757003 RHLFEXJPFFHGMR-FLIBITNWSA-N 292.338 3.629 30 20 CHED CC1(C)CCCN(CCCOc2ccc(F)cc2)[C@H]1C#N 444725111 GBGZKFLSCZVHNS-INIZCTEOSA-N 290.382 3.609 30 20 CHED Cc1ccc2c(Cl)c(C(=O)NC[C@@H](C)C#N)sc2c1 609524055 LXRSFSZNNPYGLK-VIFPVBQESA-N 292.791 3.753 30 20 CHED C[C@H](C#N)N(C)C(=O)CCCSc1ccc(Cl)cc1 297789467 NYWHSUHQQRSHLX-LLVKDONJSA-N 296.823 3.583 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 602348317 JTODCYRQLCZKRZ-BDFQZXNOSA-N 296.414 3.904 30 20 CHED C=C(C)COc1cc(CN[C@@H](CC)C(F)F)ccc1OC 449358364 FSGMDOWFBGTPKT-ZDUSSCGKSA-N 299.361 3.783 30 20 CHED Cc1ccc(CCNCc2ccc(C#N)c(C)c2)cc1 443997787 RNTPTTLNGOWPGX-UHFFFAOYSA-N 264.372 3.507 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1F 539603926 ATZUHVUUNUGOBS-GFCCVEGCSA-N 286.325 3.996 30 20 CHED N#Cc1cc(Cl)ccc1CN1[C@H]2CCC[C@H]1CC2 359910735 LEJUFIYNYHBPBK-GJZGRUSLSA-N 260.768 3.729 30 20 CHED Cc1cccc(C)c1[C@@H](C)NCCCSCC#N 355033467 BETUXDBCAOUUEO-CQSZACIVSA-N 262.422 3.601 30 20 CHED C[C@H]1COC[C@@H](c2ccccc2)N1Cc1ccc(C#N)cc1 354886408 VXJSQLLDMLZQMQ-KXBFYZLASA-N 292.382 3.520 30 20 CHED Cc1csc([C@H](C)CN[C@H]2CCc3ccc(C#N)cc32)n1 353683129 YDKNCUCFHDEBLJ-BZNIZROVSA-N 297.427 3.704 30 20 CHED Cc1cscc1NC(=O)NCC(C)(C)CCC#N 350127012 OQYDTFCBXNKIMP-UHFFFAOYSA-N 265.382 3.508 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(C)c(Cl)c1Cl 449890869 UNHNSZXOBMWUAW-VIFPVBQESA-N 272.175 3.996 30 20 CHED C=C(CC)CSCC(=O)N[C@H](C)c1ccccc1 358633156 DMNXZOOPABQPDG-CYBMUJFWSA-N 263.406 3.563 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1C 536405052 HGPODDBCDOKBSG-GFCCVEGCSA-N 258.365 3.878 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(C)c1ccccc1C#N 269815603 IAUDLXLIRSUJIF-CYBMUJFWSA-N 270.376 3.737 30 20 CHED N#Cc1ccc(SC[C@H]2CCc3ccccc32)nc1 355432936 OFGSEHVSELKRJK-CQSZACIVSA-N 266.369 3.775 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H]2CCC(C)(C)C2)cc1 358075239 OGZAHEQHHXUIGZ-HNNXBMFYSA-N 287.403 3.902 30 20 CHED CS[C@H](C)CCC(=O)Nc1ccc(C(C)(C)C#N)cc1 358445388 VEZLBUCBUKQLIM-GFCCVEGCSA-N 290.432 3.958 30 20 CHED CCOc1ccc(Cl)cc1CCN[C@H]1CC[C@H](C#N)C1 442821397 DPSFCKBQMMNJFN-WFASDCNBSA-N 292.810 3.563 30 20 CHED N#CCCN(CC1CC1)C(=O)Nc1cccc2c1CCCC2 267484815 ZZEPQIAKXGDBJI-UHFFFAOYSA-N 297.402 3.723 30 20 CHED CC(C)CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 355564954 OYUNIPYAJDJDSV-UHFFFAOYSA-N 295.342 3.730 30 20 CHED CCCOc1ccc(CNCC(C)(C)C#N)cc1OCC 612588052 OGQVFHIWIKMOKO-UHFFFAOYSA-N 290.407 3.513 30 20 CHED CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCC(C)(C)C1 355528120 SALVFSNHKXNLBZ-GFCCVEGCSA-N 290.794 3.862 30 20 CHED CC1(C)C[C@H]1c1noc(C2(c3cccc(C#N)c3)CC2)n1 355870998 FRBUIYGLYUFKKA-ZDUSSCGKSA-N 279.343 3.535 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc(C)ccc1F 352598485 QQTTTWFOESEPTM-UHFFFAOYSA-N 287.334 3.598 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2ccccc2C)C1 617783576 BZUCPDKPMMCCCO-MRXNPFEDSA-N 271.404 3.742 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1ccccc1)c1ccc(F)cc1 538196094 WZASAEVTHDUISX-DNVCBOLYSA-N 299.389 3.689 30 20 CHED CCc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 610363471 ZUCCTHJVEAYXBH-ZDUSSCGKSA-N 278.355 3.612 30 20 CHED CC[C@H](NCc1ccc(C#N)c(Cl)c1)C(C)C 619755707 PWWIUMQKBBWOII-AWEZNQCLSA-N 250.773 3.736 30 20 CHED Cc1ccccc1C[C@@H](C)N(C)CC1(C#N)CCC1 450866989 GOMNSNBBYXQGCU-OAHLLOKOSA-N 256.393 3.552 30 20 CHED Cc1cc(OCc2ccc(C#N)cc2Cl)cc(C)n1 615172004 XSEMFDRLCRFMCT-UHFFFAOYSA-N 272.735 3.803 30 20 CHED CC(C)(C#N)CN[C@@H]1CCC[C@H]1Cc1ccccc1 613540292 JQSGJXBTQIDYOQ-JKSUJKDBSA-N 256.393 3.537 30 20 CHED C=C[C@H](CC(=O)NCCc1ccc(C)o1)c1ccccc1 534631917 BHRZAGNEIAUXTG-OAHLLOKOSA-N 283.371 3.607 30 20 CHED CC(C)[C@@H](C(=O)Nc1cc(CC#N)ccn1)c1ccccc1 532180678 UQVBDEBCSPCXEG-QGZVFWFLSA-N 293.370 3.526 30 20 CHED C=CCC[C@H](C(=O)NC1CC(C)(F)C1)c1ccccc1 452278668 UHKHKOYEJMHMIU-CKDBGZEDSA-N 275.367 3.743 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H](CCC)C1 540490238 WDNTWTFLWASTAK-MRXNPFEDSA-N 281.440 3.788 30 20 CHED C[C@@H]1CCN(CC2(C#N)CCC2)[C@H](c2ccco2)C1 450453919 QJBGNPFZGJYQNL-KGLIPLIRSA-N 258.365 3.746 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C#N)cc2Cl)CC1 361806903 PLRNKJCQVNDQMH-UHFFFAOYSA-N 274.751 3.897 30 20 CHED COCCc1nc2cc(N[C@H]3CCC[C@@H](C#N)C3)ccc2o1 274210601 NIBVOBOMLSYQES-OLZOCXBDSA-N 299.374 3.511 30 20 CHED CC(C)(C)CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 369752640 JBPXFUVHVBYBSW-JKSUJKDBSA-N 299.418 3.514 30 20 CHED C=CCC1(NC(=O)NCC2CCSCC2)CCCCC1 458381934 XESFDGYLDPZIQI-UHFFFAOYSA-N 296.480 3.708 30 20 CHED COCCc1nc2cc(N[C@H]3CCC[C@H](C#N)C3)ccc2o1 274210603 NIBVOBOMLSYQES-STQMWFEESA-N 299.374 3.511 30 20 CHED Cc1nc(C)c(CN[C@@H](C)c2ccc(C#N)c(F)c2)s1 271985164 XZSFTNGEXQPWBY-VIFPVBQESA-N 289.379 3.622 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc(-c2ccc[nH]2)cc1 459474033 DXIFDTBMADVBEA-UHFFFAOYSA-N 296.374 3.743 30 20 CHED CCCCCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 363572642 HMLFFSQQLSEYTB-IAGOWNOFSA-N 284.403 3.865 30 20 CHED C=CCC1(CNC2CCN(c3ccncc3)CC2)CCCC1 459579764 ZJSHRPXQDIWJMW-UHFFFAOYSA-N 299.462 3.777 30 20 CHED Cc1occc1-c1noc([C@H](C)c2cccc(C#N)c2)n1 361259187 BSMRRPBCOUMNCO-SNVBAGLBSA-N 279.299 3.662 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)NCC(C)(C)CC#N)c1 458368859 RGCFHLDEHUECBR-CQSZACIVSA-N 287.407 3.604 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)CC12CCC2 361867060 XZYGFRNMHSKASU-CYBMUJFWSA-N 272.367 3.709 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(-c2ccncc2)c1 453369908 TXESWSGHIOMAHB-ZMYBRWDISA-N 294.398 3.743 30 20 CHED C=CCN(C(=O)NCCCc1ccc(Cl)cc1)C1CC1 540111890 YIZDSGZJZBNDPI-UHFFFAOYSA-N 292.810 3.633 30 20 CHED C[C@H](NCCCCC#N)c1cc2c(s1)CCCC2 361115356 WYNYVCGYJFDSPY-LBPRGKRZSA-N 262.422 3.971 30 20 CHED CC(C)=CCN[C@@H]1CCCCc2cc(C#N)ccc21 360882369 DPNUVVPGSQYQMT-QGZVFWFLSA-N 254.377 3.882 30 20 CHED N#Cc1ccn(CCOc2cc(Cl)ccc2Cl)c1 542018981 LBVGXSDAWYSYRJ-UHFFFAOYSA-N 281.142 3.746 30 20 CHED C=CCCCC(=O)Nc1ccc(-c2ccc[nH]2)cc1 540419143 FHPKNGDBIWWQJG-UHFFFAOYSA-N 254.333 3.977 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1c(C)cccc1C)OCC 545454955 BBCLETSERDWSNG-CVEARBPZSA-N 289.419 3.852 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc[nH]c2C)CCCC1(C)C 278487048 VMLIQOVXPXQSNF-AWEZNQCLSA-N 260.381 3.530 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCCC(C)(C)C1 466376375 HLLMBEPQUQBODN-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CCCN(C)C(=O)CCCCOc1cccc(C)c1 276355720 IFKGANGQFIMSEM-UHFFFAOYSA-N 275.392 3.579 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC=C(c2ccccc2F)C1 376387447 QTPSVGBKMIDCFS-CQSZACIVSA-N 288.366 3.589 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 464759202 WRMXHFHQJLFYLN-LWWSYDQCSA-N 292.810 3.911 30 20 CHED C=CCC[C@H](CC)N[C@H](Cc1ccccc1)[C@H](O)C(F)F 462112244 OBCZAZGZJMNNSG-XHSDSOJGSA-N 297.389 3.558 30 20 CHED CCN(c1ccc(NC(=O)[C@@](C)(C#N)CC)cc1)C(C)C 285495759 PDXCDBSGGXVPJG-QGZVFWFLSA-N 287.407 3.800 30 20 CHED C=CCC[C@H](N[C@H]1CCOC(C)(C)C1)c1ccco1 286343018 YYNYPTCNCDYKDP-KBPBESRZSA-N 263.381 3.834 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](N(C)C)CC1 377318468 VZHNSHIDHLNANG-MRXNPFEDSA-N 282.472 3.680 30 20 CHED C=CC[C@H](CC)NC(=O)N(C1CC1)[C@@H](C)C(C)C 466376934 PSJNWAOGUUKHLQ-STQMWFEESA-N 252.402 3.560 30 20 CHED CSc1ccccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 282235922 ITKNOARTNQZQOF-RWMBFGLXSA-N 260.406 3.751 30 20 CHED Cc1cccc(C2(C(=O)N[C@@H](C#N)C(C)C)CCCCC2)c1 464291275 AEPZATCLJRSPLX-KRWDZBQOSA-N 298.430 3.861 30 20 CHED CC#CCCSc1nc2cc(Cl)ccc2o1 462358990 MJHABRSWPRWKNF-UHFFFAOYSA-N 251.738 3.987 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C1C(C)(C)C1(C)C 468482450 BURUYNIROCPJLM-UHFFFAOYSA-N 271.404 3.883 30 20 CHED C=C[C@](C)(CCOC)c1nc(CC2(C)CCCC2)no1 289128038 MWDMLMQWXLGCNO-MRXNPFEDSA-N 278.396 3.673 30 20 CHED CC(C)c1nc2cc(NC[C@@H](C#N)CCC#N)ccc2o1 558506696 IQQAOGURNKCVDY-GFCCVEGCSA-N 282.347 3.807 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1CCCSCC#N 374171816 DOFUULNWDANAEU-NVXWUHKLSA-N 288.460 3.901 30 20 CHED CC#CCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 462322908 RRRZGVDODNTRAX-HNNXBMFYSA-N 298.213 3.780 30 20 CHED C=C(C)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 285414142 GAHPUDUOVFPWAD-UHFFFAOYSA-N 288.366 3.507 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2c(Cl)cccc2C1 466367179 QOCFCULGGMMHGA-ZDUSSCGKSA-N 292.810 3.762 30 20 CHED COc1cccc(Cl)c1CN1CCCC(C)(C)[C@H]1C#N 558738079 MBXVJHJPHZDXND-OAHLLOKOSA-N 292.810 3.863 30 20 CHED C[C@@H]1CC(=O)c2c(Oc3ccc(C#N)cn3)ccc(F)c21 637452388 XENBKLJQKUKGGE-SECBINFHSA-N 282.274 3.575 30 20 CHED CSC1(C=NNc2nc3ccccc3s2)CC1 800804277 VQNFXONIMFNZDV-UHFFFAOYSA-N 263.391 3.590 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(F)cc1SC 646546908 YQEWMIRMXPTMSV-UHFFFAOYSA-N 268.357 3.635 30 20 CHED COc1cc(COC(=O)[C@]2(C#N)CC23CCCC3)ccc1C 297812169 SIJODRNNWSLDSM-GOSISDBHSA-N 299.370 3.521 30 20 CHED C[C@@H](OC(=O)CCCC#N)c1ccccc1Cl 291248792 NJIAKONBJHCHQL-SNVBAGLBSA-N 251.713 3.638 30 20 CHED C=CC[C@H](NCCCc1cnccc1C)c1ccncc1 809620433 IMPBTBCKHJVZGF-SFHVURJKSA-N 281.403 3.625 30 20 CHED Cc1nsc(Oc2ccc(Br)cc2)c1C#N 568685911 HDWYLEDZZHQBDG-UHFFFAOYSA-N 295.161 3.878 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)NCC#Cc1ccccc1)C1CC1 472918284 AYYUQGNMOAHRKD-CVEARBPZSA-N 298.430 3.647 30 20 CHED Cc1nc(N2[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]2C)ccc1C#N 295066064 ZNRKCNOYPJZKMQ-NDMJEZRESA-N 297.324 3.817 30 20 CHED CC#CC(=O)N[C@@H](CC(C)C)c1ccccc1OCCC 801164242 GEKIFWIPCCVGGX-INIZCTEOSA-N 287.403 3.702 30 20 CHED CC[C@H](Nc1ccc(C#N)c(C)n1)c1nc(C)cs1 292092826 YSMURIJRKQJGND-LBPRGKRZSA-N 272.377 3.590 30 20 CHED CCOc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(C)c1 294350264 GMIIOYCJSYJISB-SFHVURJKSA-N 298.386 3.806 30 20 CHED C#C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)C(C)(C)C 807884737 VQCGMKAAXNDGDW-GOEBONIOSA-N 271.404 3.734 30 20 CHED CCCCCCCC(=O)NC[C@@H](O)c1ccc(CC)cc1 804157850 GJCKKZXNVSAIEA-QGZVFWFLSA-N 291.435 3.759 30 20 CHED N#CC1(CN=c2ccc3cc(F)cc(Cl)c3[nH]2)CCC1 567163633 TTYLJQJYWIJCKX-UHFFFAOYSA-N 289.741 3.555 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 397626553 SGJIOGCGUMJOSE-VVLHAWIVSA-N 288.435 3.745 30 20 CHED COc1cncc(CON=C(C)c2cc3ccccc3o2)c1 808245553 OGVTVZZWQSOYFT-UHFFFAOYSA-N 296.326 3.777 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cnccc1C#N 807581171 QITHPXLAVYONOX-AWEZNQCLSA-N 287.407 3.680 30 20 CHED CC(C)(C#N)CC[S@](=O)c1ccc2c(c1)CCCC2 567624868 NTZJGLWTJCJZCG-IBGZPJMESA-N 275.417 3.613 30 20 CHED C=CCC[C@H](O)CN1CCCC[C@@H]1c1ccccc1 565153045 PHLKIUWFFMSLPV-DLBZAZTESA-N 259.393 3.541 30 20 CHED C=CCCC[C@H](C)NC(=O)COC[C@@H](C)c1ccccc1 649903149 JUMXTVVOSGLSRY-CVEARBPZSA-N 289.419 3.668 30 20 CHED C#Cc1ccc(CNC2(c3nccs3)CCCC2)cc1 290389225 ONYSJSUWUOKILJ-UHFFFAOYSA-N 282.412 3.684 30 20 CHED Cc1sc2ncn(N=C[C@H](C)C(C)(C)C)c(=O)c2c1C 800806267 CEEZVCRAOBTGOB-VIFPVBQESA-N 291.420 3.591 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@H]1C=CCCC1 563692786 PHASXOPZKSMSJO-KSSFIOAISA-N 294.398 3.798 30 20 CHED CC(C)(CC1CCCCCC1)NC(=O)c1cc(C#N)c[nH]1 474413954 KDHNMPRCHHTHFO-UHFFFAOYSA-N 287.407 3.755 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CCCOC(C)(C)C 808746043 IQHJSWPGSLLQFE-UHFFFAOYSA-N 282.428 3.513 30 20 CHED C#C[C@@H](NCc1ccccc1O)c1ccc(Cl)cc1F 809698516 FKBRVGNMDGMYFB-OAHLLOKOSA-N 289.737 3.649 30 20 CHED C=C(CNC(=O)NCc1c(C)cccc1F)c1ccccc1 806874171 PLZUCBNYIZABFI-UHFFFAOYSA-N 298.361 3.647 30 20 CHED C=CCC(C)(C)CNC(=O)C1(CCOCC)CCCC1 489824642 DUNYZNWWTVVCOE-UHFFFAOYSA-N 281.440 3.692 30 20 CHED N#CCCN(Cc1ccc2ccccc2c1O)CC1CC1 816503531 BHDFGXXJYHWMGG-UHFFFAOYSA-N 280.371 3.671 30 20 CHED CCSc1ccc([C@@H](C)N=c2ccc(C#N)c(C)[nH]2)cc1 488066214 FLYNYUQRWZAELE-GFCCVEGCSA-N 297.427 3.969 30 20 CHED C=C1CCN(C(=O)[C@@H](CC)Oc2ccccc2Cl)CC1 482512692 PTSLSUVCXFTVOC-CQSZACIVSA-N 293.794 3.676 30 20 CHED C=CCCCCOC(=O)c1cc(C)n([C@@H](C)CC)n1 811012710 URKIYLJMAOVQEG-LBPRGKRZSA-N 264.369 3.676 30 20 CHED C[C@H]1COC(C)(C)CN1c1ccc(C#N)c(C(F)(F)F)c1 487133776 GXUWOGIQVNWMOY-JTQLQIEISA-N 298.308 3.581 30 20 CHED CC(C)CN(CCC#N)C(=O)c1ccc(C(C)(F)F)cc1 814109686 AYRPCQSMNXUROA-UHFFFAOYSA-N 294.345 3.810 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)Cc1ccccc1 563665181 NJKMFGQGTNMTGO-IAGOWNOFSA-N 271.404 3.822 30 20 CHED C=C(C)[C@@H](NC1CC(OCC)C1)c1ccc(F)c(F)c1 480677017 PKNQXAXTBSGYKB-SEEARECTSA-N 281.346 3.739 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(Cl)c(N)c1 814909239 FQGBOKUJQOQQKY-UHFFFAOYSA-N 280.677 3.615 30 20 CHED CCOc1ccc(NN=Cc2cnc(CC)s2)cc1 814984900 LPWYVCNLSDKSQQ-UHFFFAOYSA-N 275.377 3.550 30 20 CHED N#C[C@@H]1CCCC(=NNc2ncc(Cl)cc2Cl)C1 814740147 IPPXRTRSPWLJKC-MRVPVSSYSA-N 283.162 3.870 30 20 CHED CC(=NOCCOC(C)C)c1sc(C(C)C)nc1C 812238371 YJCZWVBHKQVIPX-UHFFFAOYSA-N 284.425 3.741 30 20 CHED C=C(C)CNC(=S)Nc1c2c(cc3c1CCC3)CCC2 811716704 ZRWJSCIWIRSPCH-UHFFFAOYSA-N 286.444 3.527 30 20 CHED C=CCN(CCC#N)C(=O)/C=C\c1cc(C)c(C)cc1C 816803305 WHEUAGLQEANZFY-FPLPWBNLSA-N 282.387 3.553 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 488570596 DOMLXLIWOUONOT-IRXDYDNUSA-N 286.419 3.930 30 20 CHED CCN(C(=O)[C@H]1CCCC1(C)C)c1ccc(C#N)cc1 484089449 ZBPNPUQTNFHQPQ-OAHLLOKOSA-N 270.376 3.737 30 20 CHED C=CCC1(C(=O)Nc2cc3cc[nH]c3cn2)CCCC1 653957418 BSVYPYYJYPWUDG-UHFFFAOYSA-N 269.348 3.638 30 20 CHED N#Cc1ccc(SCc2cc(Br)no2)cc1 813570146 HSWRMQOWZXMOLI-UHFFFAOYSA-N 295.161 3.601 30 20 CHED O=C(O)c1ccc(NN=Cc2cc3ccccc3o2)cc1 812369820 RDEYPKXMCZOUGR-UHFFFAOYSA-N 280.283 3.577 30 20 CHED CC[C@@H](CC#N)NCCc1cccc(Cl)c1Cl 577743744 YMBZHPTYJODZBA-NSHDSACASA-N 271.191 3.818 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(F)cc1O 812243682 RMNAHHRCRFDQER-QHHAFSJGSA-N 290.265 3.575 30 20 CHED C=CCCCCCCCNC(=O)[C@@]1(C)CC1(F)F 817452367 SOQWZWIQTCCLKH-CYBMUJFWSA-N 259.340 3.675 30 20 CHED Cc1ccc(NN=Cc2ccc(OCCC(C)C)cc2)nn1 729936132 IBSXXBKWJOADIM-UHFFFAOYSA-N 298.390 3.656 30 20 CHED N#CCCCCOC(=O)C1(c2c(F)cccc2F)CCC1 817255384 MNYIXCNBUYDPHN-UHFFFAOYSA-N 293.313 3.624 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)[C@H](C)CC)c1ccc(Cl)cc1 811946957 PAMTWBUOLSUOBA-XUJVJEKNSA-N 277.795 3.813 30 20 CHED CC(C)CCNC(=S)Nc1ccc(C#N)c(Cl)c1 726434538 FFXGAGPIPFLMCZ-UHFFFAOYSA-N 281.812 3.544 30 20 CHED Cc1cc(CN2CCc3c(F)cc(F)cc3C2)ccc1C#N 488221128 VFLDGJIPEGADER-UHFFFAOYSA-N 298.336 3.703 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)OC1(C#N)CCC1 820227670 SYSMNVYWZDASPP-AWEZNQCLSA-N 271.360 3.553 30 20 CHED CC#CCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 577555567 KTJMEQUZAHZWGY-VXGBXAGGSA-N 296.197 3.579 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCc1csc(C)n1 657832701 MEMXMFANQNJPST-DZGCQCFKSA-N 264.438 3.719 30 20 CHED C=CCCNC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 666635751 WVVMXALWAUDYOE-UHFFFAOYSA-N 298.333 3.840 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCCC[C@@H]3C)[nH]c12 820083989 HPBFFFWCQQSYOP-FPMFFAJLSA-N 295.386 3.874 30 20 CHED CCCCCC[C@H](C)CC(=O)N(CC)CCC#N 728611532 MECZORUOEXOMCI-AWEZNQCLSA-N 252.402 3.745 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C#Cc1cccs1 825973085 NDVORUQSIKNHPZ-GDBMZVCRSA-N 295.407 3.504 30 20 CHED Cc1ccc(C2CC(=NNc3nc(C)cc(C)n3)C2)cc1 729818461 UOCOBYKIVHPXQP-UHFFFAOYSA-N 280.375 3.747 30 20 CHED C#C[C@@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1ccc(Cl)cc1F 491325601 FAXSOCJAGPGJHB-DDFXLWFNSA-N 295.785 3.699 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)c1cccc(OCC)c1 497118272 YALBHILGSBBWSM-UKRRQHHQSA-N 290.407 3.800 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCc1cccs1 497797301 YJUOVXPMFGQULP-UHFFFAOYSA-N 285.412 3.896 30 20 CHED C=CCCNC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 661572671 WFBRYGGYFIFQMU-INIZCTEOSA-N 288.391 3.508 30 20 CHED N#CC1(CCCCON=Cc2cccs2)CCC1 902687625 PWNRMEKGNKWPSF-UHFFFAOYSA-N 262.378 3.963 30 20 CHED CC(C)OC(=O)CSCCCCC1(C#N)CCC1 901498495 YSJKHYROMMVAPN-UHFFFAOYSA-N 269.410 3.535 30 20 CHED C=CC[S@](=O)[C@H](C)c1ccc(C(C)(C)C)cc1 905198664 GPXQUECNMVOTPI-PXAZEXFGSA-N 250.407 3.980 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H](OCC)C(C)C)n1 582740481 RLICEHWRDFAONK-GFCCVEGCSA-N 266.385 3.527 30 20 CHED Cc1ccc(-c2c(C)nn(CC(F)(F)F)c2C)c(C#N)c1 904782298 PUQWEBLVVRYUSX-UHFFFAOYSA-N 293.292 3.909 30 20 CHED CCCCC[C@H](NC(=O)c1ccc(C#N)cn1)C(C)(C)C 734344701 BMSUWSBPNHTOGY-HNNXBMFYSA-N 287.407 3.678 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C(/C)c1ccccc1Cl 735065541 DZPOTAMLJZWQLE-NLYDNYMLSA-N 263.768 3.824 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@H](CCC(C)C)C1)C(=O)O 901690687 OKYKBCGLDBTTNF-ZNMIVQPWSA-N 267.413 3.600 30 20 CHED C=C(C)CN1CC[C@H]1c1ccc(Br)cc1 662102511 WRIPJPJUJFUFSS-ZDUSSCGKSA-N 266.182 3.772 30 20 CHED C[C@H](CNC(=O)c1cc2ccccc2n1CC#N)C(C)(C)C 734337596 XTCAMLFFWRHYKC-CYBMUJFWSA-N 297.402 3.577 30 20 CHED CC(C)(C)[C@@H](Nc1cc(C#N)ncn1)c1ccc(F)cc1 584698283 WROSKSLVMYUHHC-HNNXBMFYSA-N 284.338 3.687 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccn(-c2ccccc2)n1 665311061 FYSPTINNARIMEL-UHFFFAOYSA-N 298.390 3.739 30 20 CHED Cc1ccc(-c2csc(NC(=O)C#CC3CC3)n2)c(C)c1 837402848 BIUSQTQHRHZTGW-UHFFFAOYSA-N 296.395 3.779 30 20 CHED N#C[C@@H](OC(=O)c1ccc2cnccc2c1)C1CCCCC1 835342380 PVKSCFNUWIATFG-QGZVFWFLSA-N 294.354 3.864 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1csc(C)n1 734301693 LDRIZXXSHKXPLY-UHFFFAOYSA-N 285.294 3.705 30 20 CHED C=CCC[C@@H](C)NC[C@@H](c1ccc(SC)cc1)N(C)C 580221962 WFVIZAKTZOQQBH-PBHICJAKSA-N 292.492 3.956 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc3occc3s2)C1 839050862 CMKVKWRNJLPWIW-UWVGGRQHSA-N 275.329 3.733 30 20 CHED C[C@@H](O)c1ccc(OCCCCC2(C#N)CCC2)cc1 902750782 KBQSYORELMMNRI-CQSZACIVSA-N 273.376 3.983 30 20 CHED C=C(Cl)CN[C@@H](c1c(F)cccc1F)C(F)(F)F 839546996 PDBYDTBMCCNYRT-JTQLQIEISA-N 285.643 3.910 30 20 CHED C=CC[C@H](OC(=O)[C@@H]1CC1(F)F)c1ccccc1 835325891 YKEJZQSTCKSBRL-RYUDHWBXSA-N 252.260 3.502 30 20 CHED CCOc1cccc(C(=O)/C=C\c2cccc(C#N)c2)c1 208045528 BRTMOHXQKVYGKL-KTKRTIGZSA-N 277.323 3.853 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(F)cc1Cl 837428039 VEARPYHSMHWKNX-SNVBAGLBSA-N 281.758 3.706 30 20 CHED CCC(=NNc1cc(C#N)cc(Cl)n1)C1CCCC1 834967896 YOWRTIDDJKUGSI-UHFFFAOYSA-N 276.771 3.975 30 20 CHED C#CC[C@@H](NC(=O)N1CC(CC)(CC)C1)c1ccccc1 838530077 VMHONGQWZSRFOW-MRXNPFEDSA-N 284.403 3.583 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1cccc(Cl)c1C 734985148 BHMPTIUUMBNFPV-SECBINFHSA-N 268.813 3.899 30 20 CHED C=CCc1cc(CNC[C@@H](C)C(C)(C)C)cc(OC)c1O 734508065 CMHNQZOBROZMQH-CYBMUJFWSA-N 291.435 3.901 30 20 CHED C=CCN(C(=O)Cc1ccc2ccccc2c1)C(C)C 914682901 QYXQIBVNPBQYFJ-UHFFFAOYSA-N 267.372 3.805 30 20 CHED Cc1cc2ccccc2nc1NN=C1C[C@H](C)O[C@H](C)C1 834969941 FGEMDQLSHWJWIP-BETUJISGSA-N 283.375 3.899 30 20 CHED CC[C@@H](NC(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 598232019 CZTIPEMONKGIKL-CQSZACIVSA-N 298.411 4.000 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1ccc(F)c(F)c1 915915507 PWIGCQKZYYCSEU-UHFFFAOYSA-N 286.285 3.677 30 20 CHED CC(=NNc1ccccc1F)c1cnn(-c2ccccc2)c1 746489745 HPPLUAHLFCZXTA-UHFFFAOYSA-N 294.333 3.848 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1coc2ccc(Cl)cc12 593082233 UHYUNKFFJCYHMA-ZDUSSCGKSA-N 290.750 3.754 30 20 CHED CCCCCCCOC(=O)c1c(C)nn(C)c1Cl 918493863 IILLMSZKJDHPSF-UHFFFAOYSA-N 272.776 3.509 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(-c2ccco2)s1 590916473 YTEQRDQDDZNRNO-UHFFFAOYSA-N 288.372 3.678 30 20 CHED N#Cc1ccc(CCN2CC[C@@H]2c2ccc(F)cc2)cc1 595702163 HGSRUELNVLTRIS-GOSISDBHSA-N 280.346 3.687 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2ccoc2C)c1 840897118 JOGYSQVVKKDPBQ-MRXNPFEDSA-N 284.359 3.559 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)CC1(C#N)CCCCC1 597269652 VXWCRQQEEAJIQZ-ZIAGYGMSSA-N 276.424 3.791 30 20 CHED CCC(CC)(CC)CNC(=O)N1CCC[C@H](CC#N)C1 595555166 IFPHEYBBMXGQRH-CQSZACIVSA-N 279.428 3.538 30 20 CHED CC(C)Oc1ccccc1C=NNc1ncccc1Cl 917549456 NMBLUNZLBPQFDE-UHFFFAOYSA-N 289.766 3.968 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccccc1 916247268 MJSIADMRBURFHN-UHFFFAOYSA-N 290.370 3.935 30 20 CHED Cc1sc(-c2ccco2)nc1C(=O)OCCCCC#N 914627050 CXEUOPAHSNTRGE-UHFFFAOYSA-N 290.344 3.562 30 20 CHED COc1cccc(O)c1/C=N/Cc1cc2ccccc2[nH]1 746681496 JTWFGIOTPCVVKL-WOJGMQOQSA-N 280.327 3.501 30 20 CHED CC(C)(C)n1cc(C=NNc2ccc3ccccc3n2)cn1 915940130 XEFGJYIYGCJHJJ-UHFFFAOYSA-N 293.374 3.632 30 20 CHED CCCC[C@@H](C(=O)Nc1cc(CC#N)ccn1)C(C)C 598689596 KLGJYKXTZJGSSD-CQSZACIVSA-N 273.380 3.549 30 20 CHED CC/C=C(\C)C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 847043370 LVSDTLJULILOFK-ROCHPLJESA-N 270.376 3.628 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C)CC#N)c1ccc(Cl)cc1 596994333 FHYCZTNZHTZCMD-SMDDNHRTSA-N 278.783 3.642 30 20 CHED C#CCCCCCC(=O)O[C@@H](C#C)c1ccc(F)cc1 842408412 VQZNIYBZLNLFSC-INIZCTEOSA-N 272.319 3.627 30 20 CHED CCCn1ccc2ccc(NC(=O)[C@@H](C#N)CC)cc21 593497017 IJBJMISAQMQDPD-GFCCVEGCSA-N 269.348 3.540 30 20 CHED C[C@H](C#N)C(=O)Nc1ccccc1NC1CCCCC1 913949510 QCCZEUTXGXQOFM-GFCCVEGCSA-N 271.364 3.529 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(C#N)c2)C12CCCC2 743434090 RNJYOWLMFAUXMY-MRXNPFEDSA-N 283.375 3.695 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1nc2ccccc2[nH]1 915915731 JDVFCRWUUHYHNJ-UHFFFAOYSA-N 294.358 3.689 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CCC(C)(N)CC1 841724308 SCSAJMAGBIMTCS-HNNXBMFYSA-N 297.487 3.506 30 20 CHED CCCc1ccc(CCCC(=O)N(C)[C@H](C#N)CC)cc1 594084673 QOCXCZWAGAEERI-KRWDZBQOSA-N 286.419 3.722 30 20 CHED Fc1cc2nc(NN=C3CCCCC3)[nH]c2cc1F 912817691 CNXJJTCTYPBEFA-UHFFFAOYSA-N 264.279 3.573 30 20 CHED Cc1noc(C)c1C=NNc1nc(-c2ccccc2)cs1 916545246 CWTLTHIPIRKMIK-UHFFFAOYSA-N 298.371 3.861 30 20 CHED N#Cc1csc(C=NNc2nc3ccccc3s2)c1 748075601 VZCZDRYPQYOPHK-UHFFFAOYSA-N 284.369 3.675 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 597683909 KWNBQIKWVBPHKH-QZTJIDSGSA-N 296.414 3.574 30 20 CHED FC1(F)CCC(=NNc2nc(-c3ccccc3)no2)CC1 842526477 XYRNICHOCGIJKB-UHFFFAOYSA-N 292.289 3.714 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(C2(C#N)CCC2)n1 590285146 IFYKRHUZZXALEV-RYUDHWBXSA-N 259.353 3.699 30 20 CHED N#CCc1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1 598153609 PWBSHEWJTVUIDC-SFHVURJKSA-N 296.414 3.795 30 20 CHED C=C[C@@H](CC(=O)O[C@@H]1CCC(C)(C)C1=O)c1ccccc1 840381408 DIHCZVXBQJTYDH-DZGCQCFKSA-N 286.371 3.647 30 20 CHED FC(F)CNN=Cc1sc2ccccc2c1Cl 740618332 VCQVCOJALBKOCZ-UHFFFAOYSA-N 274.723 3.743 30 20 CHED Oc1ccccc1/C=N\[C@H]1CCOc2c(Cl)cccc21 920174300 LOWVEHHBSHVTTG-KPYNCUPYSA-N 287.746 3.988 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1nc(Cl)sc1Cl 847968403 GKVSFAUHHPSNKT-SSDOTTSWSA-N 291.203 3.631 30 20 CHED N#CC1(C(=O)O[C@@H]2CCc3ccc(F)cc32)CCCCC1 747881122 LUEOROWTUUTHDU-OAHLLOKOSA-N 287.334 3.830 30 20 CHED C=C1CCN(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 929166614 RPAPDJZMTGNYIP-UHFFFAOYSA-N 299.418 3.861 30 20 CHED CC1(C)C[C@H](C(=O)OCCCCC#N)c2ccccc2O1 840658103 CHEFTHBOQGUNAG-AWEZNQCLSA-N 287.359 3.568 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Oc1ccc(C#N)cc1 920788720 OUFMBPWJCDBDCF-OCCSQVGLSA-N 257.333 3.680 30 20 CHED CC[C@H](NCc1cc(C(C)C)no1)c1cccc(C#N)c1O 925069932 YLNMAROUSWXFOX-HNNXBMFYSA-N 299.374 3.616 30 20 CHED CCCCCCCCNC(=O)N1[C@H]2C=CC[C@H]1CC2 755076795 WPWKYNSKFRTGGI-GJZGRUSLSA-N 264.413 3.849 30 20 CHED Fc1ccc([C@H]2CCCC2=NO[C@@H]2CCCCO2)cc1 755814676 NMRYETMNYJJRFP-GDBMZVCRSA-N 277.339 3.992 30 20 CHED C=C(CNC(=O)C1(CC)CCCC1)c1ccccc1 685215879 RNSAXDQJGOHUGK-UHFFFAOYSA-N 257.377 3.786 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1sc(C)nc1C 756827255 LEGVOYCNXCGYEA-UHFFFAOYSA-N 293.823 3.927 30 20 CHED C#C[C@@](C)(CC)NC(=O)c1cc(Cl)c(F)cc1Cl 854704726 ZAMXDYOMKDOLOF-ZDUSSCGKSA-N 288.149 3.664 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1COc2c(Cl)cccc21 925518338 OYZLMZJPCJHSKM-MFKMUULPSA-N 278.783 3.691 30 20 CHED CN(Cc1ccc(C#N)cc1)c1nc2ccccc2cc1C#N 750015908 UVKVFYDDSJBZPR-UHFFFAOYSA-N 298.349 3.615 30 20 CHED CCc1onc(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 927140218 PIMLFVXNLVJZDM-QGZVFWFLSA-N 295.386 3.584 30 20 CHED C=CCN(CC=C)C(=O)C(F)(F)c1cccc(Cl)c1 921005081 SKLBTYWOVUDKID-UHFFFAOYSA-N 285.721 3.632 30 20 CHED O=[N+]([O-])c1cccc(NN=C[C@H]2CCOc3ccccc32)c1 752154552 IBAGEFKWPFSSNU-GFCCVEGCSA-N 297.314 3.559 30 20 CHED C=CCC(CC=C)C(=O)OCc1ncccc1Cl 859591633 OEKYWDXPSTWOFL-UHFFFAOYSA-N 265.740 3.547 30 20 CHED CSCCC=NNc1ccc(C#N)c(C(F)(F)F)c1 755682626 JJZVNQQFNAWGOP-UHFFFAOYSA-N 287.310 3.728 30 20 CHED C=CCCOCCN[C@@H](c1ccc(C)cc1)c1cccnc1 925630797 CVNDQJBNBKNIDC-IBGZPJMESA-N 296.414 3.662 30 20 CHED CC(=NOCC(F)F)c1ccc(-c2ccccc2)o1 758902715 IWKKQKSMWBXBIP-UHFFFAOYSA-N 265.259 3.952 30 20 CHED C=C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 929140760 ZXCHGGGNQJJKMZ-UHFFFAOYSA-N 284.281 3.889 30 20 CHED N#CCC[C@@H](NCc1cccc2c1OCC2)c1ccccc1 921926245 UONAYGFDKFGGOZ-GOSISDBHSA-N 292.382 3.756 30 20 CHED CC[C@]1(C)CCCN(C(=O)c2cc(C#N)ccc2C)C1 933766211 BYPWMZGFYJSHJU-QGZVFWFLSA-N 270.376 3.519 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)ccc1OC(F)F 934675545 FDORODVDDOYKRW-SECBINFHSA-N 287.281 3.968 30 20 CHED COC(C)(C)CC=NNc1nc2ccccc2[nH]c1=S 863125431 VXCDXFLYYNIKHE-UHFFFAOYSA-N 290.392 3.505 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccc(O)cc1)CC1CC1 934941683 HWSGVIWNRPRUJS-AWEZNQCLSA-N 287.403 3.733 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCO[C@H](C(C)C)C1 933341941 VLDOLKXDRIISIZ-CVEARBPZSA-N 281.440 3.642 30 20 CHED N#CC1(CCCCN2CCCC(F)(F)C2)CCC1 930848552 KAESIESYFKMMHA-UHFFFAOYSA-N 256.340 3.582 30 20 CHED C#CCC(C)(C)C(=O)OCC(=O)c1oc2ccccc2c1C 767650323 NIXFKJDFPHHWFC-UHFFFAOYSA-N 298.338 3.517 30 20 CHED C#CCCc1noc(-c2ccc(N(CC)C(C)C)cc2)n1 762017540 HAHJQLKKTXTRMW-UHFFFAOYSA-N 283.375 3.537 30 20 CHED Cc1cc(C(=O)Nc2cccc(OCC#N)c2)cc(C)c1F 763554314 RIQSFGOMQACHHF-UHFFFAOYSA-N 298.317 3.597 30 20 CHED CCCCc1oc2ccccc2c1C=NN1CCCC1=O 769590935 ZAZOAKVXKRYCOZ-UHFFFAOYSA-N 284.359 3.732 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cnc(Cl)c(C)c2)c1 760266649 XQLRQOBPNMMGAV-XQRVVYSFSA-N 287.746 3.954 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)CC1CCCCCC1 767156989 VIZCNFFTSNQRCS-UHFFFAOYSA-N 289.341 3.761 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccc([N+](=O)[O-])cc2)C1 768358790 YSDASFIITJKZRJ-RYUDHWBXSA-N 261.325 3.819 30 20 CHED COc1ccc(CNCCC2=CCCCCC2)cc1C#N 766467449 JWXDNZGLOYPYHY-UHFFFAOYSA-N 284.403 3.937 30 20 CHED C#C[C@@H](OC(=O)CCc1nc(C)cs1)c1ccc(C)cc1 860963519 XCUDNJIFOGRLGF-OAHLLOKOSA-N 299.395 3.610 30 20 CHED N#Cc1ccsc1NC(=O)c1cc(F)ccc1Cl 1349088699 GEACAKLZJNYXNR-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCCCCCCNC(=O)Cc1cccc2cccnc12 862360347 GXZCISICVWWVHE-UHFFFAOYSA-N 284.403 3.864 30 20 CHED C=CCCC(C)(C)NCc1ccc(F)c(OC)c1 1350146352 UDGDZCNEYONBJY-UHFFFAOYSA-N 251.345 3.669 30 20 CHED Fc1cccc(F)c1NN=C[C@H]1C[C@H]2CC[C@H]1C2 762421243 HXBIFUUXZSEETB-GARJFASQSA-N 250.292 3.799 30 20 CHED CC(C)CNN=Cc1c(Cl)cccc1N1CCCC1 771566238 GBIGWFYUUBXKFC-UHFFFAOYSA-N 279.815 3.520 30 20 CHED C=CCC[C@@H](NC(=S)NC(C)(C)C)c1ccccc1 771848418 ABORGHCECGNITG-CQSZACIVSA-N 276.449 3.957 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)[C@H]1CC=CCC1 773110189 BHKLURQEANBCJG-AWEZNQCLSA-N 274.747 3.591 30 20 CHED C=CCc1ccc(OC(=O)CC[C@@H](C)SC)c(OC)c1 773761078 DWKLKCRHJDWSPW-GFCCVEGCSA-N 294.416 3.861 30 20 CHED CN(C(=O)[C@@H]1CCC(F)(F)C1)c1ccc(C#N)c(Cl)c1 876168418 SMTVHINNQDOFGY-SECBINFHSA-N 298.720 3.610 30 20 CHED C#CCOc1ccccc1NC(=O)C1C[C@@H](C)C[C@H](C)C1 775942740 LITGCARNUSOZTG-KBPBESRZSA-N 285.387 3.709 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(Cl)cn1 774385192 LTKMHXLLPQZXAD-UHFFFAOYSA-N 287.794 3.681 30 20 CHED C#Cc1cccc(N(C(=O)c2ncc(C)cc2C)C(C)C)c1 779912618 CJGGGHVGWIYGSZ-UHFFFAOYSA-N 292.382 3.735 30 20 CHED C#Cc1ccc(-c2nc(-c3cc4ccccc4o3)no2)nc1 1116809350 OTYHZGKMLUJDKS-UHFFFAOYSA-N 287.278 3.526 30 20 CHED CC(=NNCC(C)C)c1sc(C(C)C)nc1C 771567804 TWDPUCGMYXMMDX-UHFFFAOYSA-N 253.415 3.545 30 20 CHED CCCCCC[C@@H]1CCCC1=NN[C@@H](C)COC 777902284 QAZNTJBBRJVRGK-UONOGXRCSA-N 254.418 3.737 30 20 CHED C#CCCCCC(=O)N1CCCCCc2ccccc21 773398415 AHGXZDCPZIXVEA-UHFFFAOYSA-N 269.388 3.940 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCSC(C)(C)C 775737325 QRGPZCWXGWEMOO-LBPRGKRZSA-N 272.458 3.562 30 20 CHED C(=NOC1CCOCC1)c1cccc(OC2CCCC2)c1 774432295 BMXJVMGRTSDIBZ-UHFFFAOYSA-N 289.375 3.538 30 20 CHED N#Cc1ccc(NC(=O)CCCC2CCCC2)cc1F 1129460044 VKJXGVZTYYTXQB-UHFFFAOYSA-N 274.339 3.996 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@]3(C)C(C)C)[nH]c12 774105084 SRFZICLSBSDMJX-FHSNZYRGSA-N 295.386 3.730 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1cnc(C2CC2)s1 773125107 MZRIUPKLYKUSFS-ZDUSSCGKSA-N 277.437 3.913 30 20 CHED C#CCCCCC(=O)O[C@H]1CCc2ccc(F)cc21 773788621 VRAVDLNRRJFGMY-HNNXBMFYSA-N 260.308 3.550 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1C=NNCc1ccc(C#N)cc1 773207772 KCSIRKIINOKERM-RHSMWYFYSA-N 267.376 3.626 30 20 CHED Cc1coc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c1C 1122505663 FDNOKAVXUQFTJC-LBPRGKRZSA-N 293.326 3.571 30 20 CHED CCOc1cccc(/C=N/Cc2cscc2C)c1O 775233388 CVJLGUSZDOECQG-FRKPEAEDSA-N 275.373 3.780 30 20 CHED C[C@H](Oc1cccc2ccccc12)C(=O)OC1(C#N)CCC1 774135248 UJUVGFWJVKDGOE-ZDUSSCGKSA-N 295.338 3.597 30 20 CHED C=CC[C@@H](C(=O)O[C@H]1C=CCCC1)c1ccccc1 778418103 KMVZYZXECFEYMG-JKSUJKDBSA-N 256.345 3.998 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cnc(C)s1)c1ccccc1 773113844 FTOIEYVOKCFNBW-SWLSCSKDSA-N 270.401 3.867 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H](C)C(=O)c1ccccc1 1120734338 XPNHHYQZGKRFBY-DOTOQJQBSA-N 299.414 3.853 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)/N=C\c1ccccc1O 770568788 NNDUTTUJKHTUKI-KJOMXZFQSA-N 287.334 3.726 30 20 CHED N#CC[C@H](OC(=O)C1(Cc2ccccc2)CC1)c1ccco1 1123369466 NYNWGPNFKCTMFI-INIZCTEOSA-N 295.338 3.800 30 20 CHED C=C1CCC(C(=O)N(CC)CCC(F)(F)F)CC1 888594167 XMTQDQLNBJVABJ-UHFFFAOYSA-N 263.303 3.534 30 20 CHED C/C(C=NOCC(C)C)=C\c1cccc([N+](=O)[O-])c1 787162289 JBFOHLOYQFVJKO-YAXZJXQFSA-N 262.309 3.657 30 20 CHED CCCC[C@H](CC)CNC(=S)N1CCC[C@@](C)(C#N)C1 783774539 XRRZEGQXXDTCNZ-HOCLYGCPSA-N 295.496 3.703 30 20 CHED CC(=NNc1ccc(C(=O)O)cn1)C1CCCCCC1 783862903 NVKNVISELGMEAZ-UHFFFAOYSA-N 275.352 3.538 30 20 CHED COC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782828443 FHCWRAWYPKGHST-LBPRGKRZSA-N 280.327 3.642 30 20 CHED CCCn1c(C(=O)OCC2(CC#N)CC2)cc2ccccc21 786953750 LEOCMMDSRUPAJN-UHFFFAOYSA-N 296.370 3.902 30 20 CHED N#Cc1ccsc1NC(=O)CCCCc1ccccc1 887647956 UUIKVRFDFBOROY-UHFFFAOYSA-N 284.384 3.971 30 20 CHED C=CCCCCN[C@H]1CCc2ccc(Cl)nc21 788751763 ANBIUQWIRLEUSN-LBPRGKRZSA-N 250.773 3.668 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1cc(C#N)cc(Cl)n1 783862000 BAMUFVCCJPPGPT-ZJUUUORDSA-N 276.771 3.831 30 20 CHED C/C(=C\C(=O)OC1(CC#N)CCC1)c1ccc(F)cc1 788134544 RVTUDNALNHOXOI-VAWYXSNFSA-N 273.307 3.609 30 20 CHED Cc1c(Cl)cnc(N[C@H](C)Cc2ccco2)c1C#N 784142930 IMYIMGQICYJHHU-SECBINFHSA-N 275.739 3.551 30 20 CHED CC(C)n1cc2c(n1)[C@@H](NCC(C)(C)CCC#N)CCC2 780763653 BIYCXERRZRPBBZ-HNNXBMFYSA-N 288.439 3.761 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N[C@H](CC)CC#N 781024616 DQUNRVSPOFPWGB-UKRRQHHQSA-N 252.402 3.791 30 20 CHED N#C[C@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 896503292 MOZNIXBXZWZJTF-LLVKDONJSA-N 286.272 3.580 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)[C@H]1CCCO1 783868003 ZBUBSFOXXLQGRF-OAHLLOKOSA-N 260.381 3.951 30 20 CHED Cc1cc(Oc2cccc(F)c2C#N)nc(C2CCC2)n1 892978653 BZRAZUOGHCCJEU-UHFFFAOYSA-N 283.306 3.856 30 20 CHED Cc1cccc2c1OC/C(=C/c1cnn(C3CCC3)c1)C2=O 899348695 HLMCZKCMAMUBII-ZSOIEALJSA-N 294.354 3.575 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](C)CC1CCCCC1 1134212123 IKWSJHQHVQXNQS-HIFRSBDPSA-N 264.413 3.744 30 20 CHED C#Cc1ccc(NCc2ccc(OC)c(COCC)c2)cc1 898506688 XEKOQHYGFZRPLA-UHFFFAOYSA-N 295.382 3.825 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NN=C1CC(C(F)F)C1)C2 794541144 JUTCXSPSZUYUMI-ZTECACQKSA-N 270.367 3.822 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC[C@@H](C)CC)c1 796128307 WACDTENIGSZMLO-AWEZNQCLSA-N 257.377 3.847 30 20 CHED CC(C)(C)Oc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 897755291 YKZAZOIDHXQRGM-OCCSQVGLSA-N 258.365 3.968 30 20 CHED C=C1CC(c2noc([C@H]3C[C@]34CCc3ccccc34)n2)C1 896882381 KDPOIKHBRYGMMZ-QAPCUYQASA-N 278.355 3.875 30 20 CHED C=CCCCCC[C@H](C)Nc1ccc2c(c1)C(=O)NCC2 793541261 DIPALDHSJYLTDF-AWEZNQCLSA-N 286.419 3.909 30 20 CHED C=CC[C@@H](OC(=O)c1ccc(C#N)o1)c1ccccc1 797117651 IZSQFIKICUDGQK-CQSZACIVSA-N 267.284 3.625 30 20 CHED COCCCON=CCCCc1ccc(C)c(C)c1 795055263 JFKLNFXJYQSZDL-UHFFFAOYSA-N 263.381 3.665 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@](C)(CC)CCC 796326013 DFCSBXCFJMYCNE-WMLDXEAASA-N 297.439 3.559 30 20 CHED CC(C)(C)CCCN(CCC#N)Cc1ccccn1 275404014 CHYDCYWQLWOIBI-UHFFFAOYSA-N 259.397 3.624 30 20 CHED CCCCCCCOC(=O)Cc1ccc(Cl)cn1 792718384 PBTWBXUOZOQSLS-UHFFFAOYSA-N 269.772 3.791 30 20 CHED C#CCC(C)(C)C(=O)OCc1cccc(C(F)F)c1 791765398 YLMVRYPJRKXUED-UHFFFAOYSA-N 266.287 3.717 30 20 CHED CC(C)C[C@@H]1CCCC(=NOC[C@@H]2CCOC2)C1 794536807 ZCVYLPWQVZMCGX-UONOGXRCSA-N 253.386 3.632 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(OCC3CC3)cc2)C1 799722933 SJMMBKVJIMJQOQ-ZFWWWQNUSA-N 256.349 3.580 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](F)CC1CCCCC1 793977311 VQBPIBROFKVOQR-GJZGRUSLSA-N 267.388 3.862 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(Cl)c1)C(C)C 798556429 JQFWCNFPNNKTBE-IUODEOHRSA-N 292.810 3.700 30 20 CHED Cc1ccc2c(c1)CCN2Cc1ccc(C#N)c(F)c1 792267691 HXWWDAYPUDXHJY-UHFFFAOYSA-N 266.319 3.569 30 20 CHED Fc1ccc(CNN=C2CCC(C(F)F)CC2)cc1F 799477223 LYNZJKMEVRNFSB-UHFFFAOYSA-N 288.288 3.866 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1ccc(CC)cc1 796462130 XGOVFZQBHNYWNS-UHFFFAOYSA-N 274.360 3.577 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)OCCC(C)(C)C#N 796323248 FPALBHODSLBSPL-STQMWFEESA-N 251.370 3.686 30 20 CHED C#C[C@@H](NC(=O)CCCc1csc2ccccc12)C(C)C 799042750 NSUBACQANIFGGY-MRXNPFEDSA-N 299.439 3.998 30 20 CHED CN(c1ccccc1)c1ccc(C=NNC2CCCC2)cn1 797786910 RJZCSSMLBPUKHU-UHFFFAOYSA-N 294.402 3.716 30 20 CHED FC(F)c1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)cc1 794526327 JXYBVATWMMFXDA-UBHSHLNASA-N 264.319 3.736 30 20 CHED C=CCN(CCC#N)C(=S)Nc1ccc(F)c(Cl)c1 793248446 YQCPUZJIFSAWPB-UHFFFAOYSA-N 297.786 3.578 30 20 CHED CC1=C(C)C[C@H](C(=O)N(C)c2cccc(C#N)c2)CC1 567473528 MAKVKVPKHBICQS-OAHLLOKOSA-N 268.360 3.658 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 593394488 KCAIHPSKPQEVKC-BXUZGUMPSA-N 278.783 3.703 30 20 CHED C[C@@H]1CC[C@@H](Nc2cccc(OCCCC#N)c2)C1 80458054 ALGZFNAVAAIHFU-UKRRQHHQSA-N 258.365 3.970 30 20 CHED C#CCCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 692899363 IJURMTDUTYKLFJ-XHSDSOJGSA-N 261.409 3.607 30 20 CHED CC(C)C(N[C@@H](C)c1ccc(OCC#N)cc1)C(C)C 776171023 RUPGTLOFCCNZJH-AWEZNQCLSA-N 274.408 3.920 30 20 CHED C[C@H](CCc1ccccc1)NCc1cc(C#N)cs1 93492024 JVYZAOAPLUYITF-CYBMUJFWSA-N 270.401 3.731 30 20 CHED CC(=O)c1cccc(OCc2cccc(C#N)c2F)c1F 1307392025 DKWYSVUDPJBGOB-UHFFFAOYSA-N 287.265 3.618 30 20 CHED COc1cc(C#N)ccc1CSc1ccc2[nH]ncc2c1 1166344480 AVBHYDFZXWLOQV-UHFFFAOYSA-N 295.367 3.735 30 20 CHED CCCCCCCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1318928072 LQYYOFZPGSTYFB-UHFFFAOYSA-N 290.363 3.798 30 20 CHED CCCC[C@@H](Nc1cc(C#N)nc(CC)n1)C1CCC1 1162819211 RVFQXWDCOWMHBI-CQSZACIVSA-N 272.396 3.681 30 20 CHED COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)ccc1F 1319686456 LGGQHIRNMRNDEW-ZSOIEALJSA-N 282.314 3.965 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1318884026 RCACOOVHHUHBBJ-HOTGVXAUSA-N 297.402 3.911 30 20 CHED O=C(CC#Cc1ccccc1)OCc1ccc(Cl)cc1 1328702223 YYAFGNYYJLFEPE-UHFFFAOYSA-N 284.742 3.825 30 20 CHED N#Cc1ccc(COC(=O)CC(C2CCC2)C2CCC2)nc1 1329999945 YZBKCLLDUOAVMN-UHFFFAOYSA-N 298.386 3.603 30 20 CHED N#Cc1cncc(Nc2cccc(-c3ccccc3)c2)n1 1173912059 UJRLYTGHLSXJRC-UHFFFAOYSA-N 272.311 3.759 30 20 CHED CC#CCCCc1nnc([C@H](C)Oc2ccccc2F)o1 1326971394 SNSFCKXHZBKKHX-LBPRGKRZSA-N 288.322 3.695 30 20 CHED N#Cc1cccc(-c2nnc(CC3=CCCCC3)o2)c1 1322996935 MRBHRCNYRVGNFA-UHFFFAOYSA-N 265.316 3.651 30 20 CHED C=C(C)CCc1noc(Cn2cc(C)c3ccccc32)n1 1323532643 NCNKJGISOVVXGZ-UHFFFAOYSA-N 281.359 3.890 30 20 CHED Fc1ccc(CCC=NNc2nccnc2C2CCC2)cc1 1325254021 JYUXOBXBNBKLKV-UHFFFAOYSA-N 298.365 3.914 30 20 CHED COc1cc(/C=C\C(=O)c2cc(F)ccc2O)ccc1F 1322985325 NCQKBZWOYOKANS-UTCJRWHESA-N 290.265 3.575 30 20 CHED C=C[C@H](COC)NC(=O)[C@@H](CCC)c1ccc(Cl)cc1 1328559881 NKPYHCRZRVHSBS-CABCVRRESA-N 295.810 3.541 30 20 CHED COc1cc(/C=C2\CCc3c(O)cccc3C2=O)ccc1F 1253611233 DFSIIJBEHPMLLK-FMIVXFBMSA-N 298.313 3.752 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccccc1CCC(F)(F)F 1337669604 BTRVFLIWZGKULD-LLVKDONJSA-N 298.308 3.556 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2cc3ccccc3[nH]2)no1 1334356676 ZCXVXNFYABIRRS-KRWDZBQOSA-N 297.358 3.698 30 20 CHED C=C[C@@H](COC)N[C@@H](CC)c1cccc(Cl)c1F 1255019412 QNDTZIYGORWXDO-GWCFXTLKSA-N 271.763 3.721 30 20 CHED C[C@@H](CCC#N)CNc1cccc(CN2CCCC2)c1 1330574133 QBYYYHIJFKOVEI-HNNXBMFYSA-N 271.408 3.634 30 20 CHED N#C[C@@H](NC(=O)c1csc2ccccc12)C1CCCC1 1338216118 OAXZDQNQNAACRR-CQSZACIVSA-N 284.384 3.713 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cc1 1275984994 ZITLDHSTIMJWMM-DOTOQJQBSA-N 284.403 3.895 30 20 CHED N#Cc1sccc1C(=O)NCc1ccc2ccccc2c1 1354853358 MSISLZHOWKAHQX-UHFFFAOYSA-N 292.363 3.703 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CC(C1CC1)C1CC1 1515511494 GGICEXQJQYCXCR-NSHDSACASA-N 263.381 3.684 30 20 CHED Cc1cccc2c1[C@H](OC(=O)c1ccsc1C#N)CCO2 1526989731 XTXWTRMFDGHEKP-CYBMUJFWSA-N 299.351 3.609 30 20 CHED C[C@@H]1CCC[C@H](C(=O)O[C@@H](CC#N)c2ccco2)C1 1526993582 UKQXUSUOUYTEIW-DYEKYZERSA-N 261.321 3.604 30 20 CHED CC(C)CCC1CCN(C(=O)c2ccsc2C#N)CC1 1525623708 YYCLUSMDVWDPLI-UHFFFAOYSA-N 290.432 3.908 30 20 CHED CC(C)[C@]1(C)C[C@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1465889053 IUNNGHTZFABNOD-HIFRSBDPSA-N 291.782 3.768 30 20 CHED CC[C@H](c1ccccc1)N1CCN(C[C@@H](C)CCC#N)CC1 1461853781 SJAKQCJSDLQQGP-PKOBYXMFSA-N 299.462 3.695 30 20 CHED CC(/C=C\C(=O)c1cc(C(=O)O)co1)=C/c1ccccc1 1609725717 NQZFJBMUGLCPGN-JNWHFCKMSA-N 282.295 3.820 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1Cc2ccccc2[C@H](C)C1 1625503289 WGQWTTUGPXFHIS-CQSZACIVSA-N 290.366 3.626 30 20 CHED C[C@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC12CCC2 1546182461 ZBQJPEVCHHHDSY-RDJZCZTQSA-N 296.414 3.723 30 20 CHED C[C@@H](CCC1CCCCC1)N=c1cc[nH]c(C#N)c1 1559105720 ZKKKJGMORQLXKV-ZDUSSCGKSA-N 257.381 3.536 30 20 CHED COc1ccc(C#N)cc1CN(C)Cc1ccc(C)c(C)c1 1559910349 SANFQYFYLVAJMX-UHFFFAOYSA-N 294.398 3.816 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(C)c1O 119713746 URTRYYCOFYOUQF-UHFFFAOYSA-N 281.355 3.529 30 20 CHED CC(C)c1ccc(CN2CCN([C@H](C)CCC#N)CC2)cc1 1645809345 MGKNFHBDIPBDHL-QGZVFWFLSA-N 299.462 3.620 30 20 CHED N#Cc1cccc(NC[C@H]2CCC[C@H]2c2ccccc2)n1 1642725705 VLVGEQAPBRCHSN-WBVHZDCISA-N 277.371 3.949 30 20 CHED CCc1ccc(C(C)(C)CNc2cccc(C#N)n2)cc1 1655212345 WVTLDZHASPFTKG-UHFFFAOYSA-N 279.387 3.905 30 20 CHED CCN(Cc1ccc(O)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 1663889251 SQDXQOOOSFVVAT-ZDUSSCGKSA-N 298.361 3.986 30 20 CHED CCC[C@H]1CCCN1C(=O)Nc1cc(C)cc(C#N)c1 1678413582 ZQOCDFUVGTUMBS-HNNXBMFYSA-N 271.364 3.663 30 20 CHED C=CCC[C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)O)cc1 1776166115 PUDJVFCBRFJIGL-AWEZNQCLSA-N 289.375 3.952 30 20 CHED N#Cc1ccc(COC(=O)c2ccc3c(c2)CCCC3)cc1 5474937 FANKZQJVYXNQJH-UHFFFAOYSA-N 291.350 3.794 30 20 CHED CC(C)c1ccc(C(=O)COc2ccc(C#N)cc2)cc1 5868707 VKJKTUXJPXSZMG-UHFFFAOYSA-N 279.339 3.943 30 20 CHED Cc1ccc(C)c(SCC(=O)Oc2ccc(C#N)cc2)c1 18185526 SLQMFOODDXHIFK-UHFFFAOYSA-N 297.379 3.873 30 20 CHED C(=N/OCc1noc(C2CCCCC2)n1)\c1cccs1 160601524 ILCQBJWOLJAVFQ-OQLLNIDSSA-N 291.376 3.730 30 20 CHED C#CC[C@H](C)OC(=O)c1cc(-c2ccccn2)ccc1Cl 164136320 KGTNYZAKMREDDA-LBPRGKRZSA-N 299.757 3.971 30 20 CHED CC[C@@H](O)c1ccc(OCc2ccc(C#N)cc2C)cc1 166038961 OLNIMWZYMQKRGG-GOSISDBHSA-N 281.355 3.889 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1cc(F)ccc1F 151996103 KIRQFYYZGNRFIR-VIFPVBQESA-N 271.332 3.601 30 20 CHED CC#CCCSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 155679815 ZPLZWLNIAGNKJY-OCCSQVGLSA-N 277.437 3.843 30 20 CHED CS[C@@H]1CCCCN(c2c(C#N)cnc3ccccc23)C1 154668037 UAELNZQMLIDICY-CQSZACIVSA-N 297.427 3.828 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2C)cc1O 209956829 WVGMMAWPGHCXCI-CLFYSBASSA-N 268.312 3.605 30 20 CHED N#CCCCNCc1ccc(-c2ccccc2)cc1 258996418 YKHZRJHFJOKDES-UHFFFAOYSA-N 250.345 3.747 30 20 CHED CCc1nnc(NC[C@H](C)C(C)(C)C)c(C#N)c1CC 125384556 JRVMOHYLUFJCHF-NSHDSACASA-N 274.412 3.567 30 20 CHED Cc1nsc(NCc2ccc3occc3c2)c1C#N 1163689998 ITGBTPYAIPBLJM-UHFFFAOYSA-N 269.329 3.682 30 20 CHED N#Cc1ccccc1OCCOc1cccc(Cl)c1F 167127335 QHEWULISUJSNHE-UHFFFAOYSA-N 291.709 3.809 30 20 CHED Cc1ncsc1CCNc1ccc(Cl)c(C#N)c1 349762442 FAUOMJYELYBELZ-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C=CCN(CCOCCC(C)C)Cc1ccccc1 511029672 PMNNDKXGBGSUPR-UHFFFAOYSA-N 261.409 3.737 30 20 CHED C=CCOc1ccc(CNCc2ccc(CC)o2)cc1 512557224 NSRNTFJMHWWNBX-UHFFFAOYSA-N 271.360 3.697 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Br)cs1 410122373 BXNFVUSSOSKKRI-SECBINFHSA-N 288.210 3.595 30 20 CHED CCc1nc(CN(C)c2ccc(Cl)cc2C#N)cs1 328188103 CGPALVRNWQNVGJ-UHFFFAOYSA-N 291.807 3.867 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1csc(Cl)c1 335738486 CHZVBBIFTDHQBM-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C=CC(C)(C)CN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 449487111 WUVOCJNJRVYJNJ-AEFFLSMTSA-N 286.463 3.841 30 20 CHED C=CCCCS[C@H](CC)C(=O)NCc1ccccc1 576425631 DBYSIWLXMJBTNY-OAHLLOKOSA-N 277.433 3.781 30 20 CHED C=C[C@H]1CCCCN1c1nc(C(F)(F)F)ccc1C#N 362857411 WKXILPUOAMAART-NSHDSACASA-N 281.281 3.517 30 20 CHED Fc1ccccc1NC(=S)NN=C1CCCCCC1 6298473 AEKXACVTQJDTRD-UHFFFAOYSA-N 279.384 3.822 30 20 CHED C=CCCO[C@H](C)C(=O)N(C(C)C)C1CCCCC1 103390299 VYKSNTFXMCWXGL-CQSZACIVSA-N 267.413 3.537 30 20 CHED CCN(CCCNCc1cccc(C#N)c1)c1ccccc1 57641639 MDGCCUIGVOGLHZ-UHFFFAOYSA-N 293.414 3.564 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccc(C)cc1C 177869148 ZFQZIPLAPAZYPB-CYBMUJFWSA-N 263.406 3.940 30 20 CHED Cc1cccc(C/N=C(/N)Nc2ccc(C)c(C)c2)c1 104162407 WKSSKQMTSYHWRB-UHFFFAOYSA-N 267.376 3.539 30 20 CHED C=C(C)CN(C)Cc1ccc(N2CCCCC2)cc1 57625784 OWYDCMBAAOLEMZ-UHFFFAOYSA-N 258.409 3.685 30 20 CHED N#CCCCCNC(=O)C[C@H](c1ccccc1)C(F)(F)F 171498930 FJNWWWAQFVWIBV-CYBMUJFWSA-N 298.308 3.533 30 20 CHED C[C@@H](OC(=O)c1ccsc1)c1ccc(C#N)cc1 175753928 WJRKMTOBJGUVFP-SNVBAGLBSA-N 257.314 3.538 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173380330 HJQSGZQVYHVZPP-YNEHKIRRSA-N 297.185 3.515 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C[C@H]1C=CCC1 119962542 GYEFOFUSTSCJDZ-AWEZNQCLSA-N 273.351 3.697 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(F)c(C#N)c1 102955037 YWXJVVURPXYSSN-JTQLQIEISA-N 287.294 3.515 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2sccc2C#N)CC1 249251496 CCZVHWWAPGFSKM-XYPYZODXSA-N 262.378 3.775 30 20 CHED C[C@H](c1cc(F)ccc1F)N(C)CCCCC#N 102397593 SMEUQBAZOCJXFM-LLVKDONJSA-N 252.308 3.651 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2cccc(F)c2)c1 302120994 UHTLPIMRZXRDGC-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C=CC1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 115216404 WBUIZQSPUFAONV-MRXNPFEDSA-N 269.388 3.531 30 20 CHED CC(C)(CNC(=O)c1ccc(C#N)cc1)Cc1ccccc1 303636865 ABMQFEMRAAMQSI-UHFFFAOYSA-N 292.382 3.557 30 20 CHED C=C[C@H](C)Nc1ccc(C(=O)Nc2ccc(C)cc2)cn1 301605706 MOBLIDUYMGEXIZ-ZDUSSCGKSA-N 281.359 3.629 30 20 CHED CC[C@H](C#N)Oc1cccc(CNc2cccc(F)n2)c1 301258484 GHDPRWDGNUZLBB-CYBMUJFWSA-N 285.322 3.514 30 20 CHED CCc1cccc(Oc2ccc(Cl)c(C#N)n2)c1 301522823 HPWZOHMYCSXNFT-UHFFFAOYSA-N 258.708 3.961 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(C#N)c1C 178641297 PEAQJKOAKMQMRZ-MRXNPFEDSA-N 286.375 3.543 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCOc2ccc(F)cc21 177116354 HGIFFSUXMKMPCY-HNNXBMFYSA-N 289.350 3.534 30 20 CHED N#Cc1cccc(C#N)c1Sc1ccc(F)cc1 302854942 RLLODNYXPRHBDL-UHFFFAOYSA-N 254.289 3.720 30 20 CHED C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(C#N)cc1F 128904144 MWPICUVDWMVSBC-IINYFYTJSA-N 290.363 3.683 30 20 CHED CCS[C@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 176983399 SXIIUXWEMVPNFR-HOTGVXAUSA-N 274.433 3.712 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1csnn1)CS2 186455693 WHRHXZZQIBQXHG-YHYXMXQVSA-N 288.397 3.527 30 20 CHED CC1(C/N=C(/N)Nc2ccccc2)CCCCCC1 305784633 RDGWVPCBNAXOAZ-UHFFFAOYSA-N 259.397 3.774 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)Cc1c(Cl)cccc1Cl 120670892 IHLPBGDWZYAODS-CQSZACIVSA-N 299.201 3.590 30 20 CHED CC[C@@H](C#N)N[C@H](Cc1ccccc1)c1ccccc1 122198331 DAZQYCWLUOZCEW-ZWKOTPCHSA-N 264.372 3.862 30 20 CHED C=CCC[C@@H](NC(=O)CCCC(C)=O)c1ccccc1 185280818 JQWCJKBHOHUTOF-MRXNPFEDSA-N 273.376 3.569 30 20 CHED CC(C)CCOc1ccc(CN2CCC(C#N)CC2)cc1 123739696 VMBFAUJRDLFIHX-UHFFFAOYSA-N 286.419 3.847 30 20 CHED C=C(C)[C@@H](NCCC(=O)OC(C)C)c1ccc(F)c(F)c1 187766704 VVCAIHPZRMAINZ-MRXNPFEDSA-N 297.345 3.513 30 20 CHED O=C(/C=C/c1cccnc1)c1ccc(OC(F)F)cc1 71793141 KKILDKFSQSHVGI-FPYGCLRLSA-N 275.254 3.579 30 20 CHED CN(C(=O)NCC1(CC#N)CC1)[C@@H]1CCC[C@@H]1C(C)(C)C 419520102 LSCLYWKRKUSUHO-UONOGXRCSA-N 291.439 3.536 30 20 CHED C=CCC1(C(=O)N2CCc3ccc(F)c(F)c32)CCC1 411062996 HWXCCSLOTRQCKQ-UHFFFAOYSA-N 277.314 3.600 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)O[C@H](C#N)C(C)C 122319725 KYDJPBOEIASQOU-DPQIITEBSA-N 277.751 3.835 30 20 CHED CO[C@](C)(C1CC1)[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 414224741 AZACAGSWFFWTID-JKDFXYPNSA-N 290.382 3.552 30 20 CHED CCCN(Cc1ccccc1O)Cc1ccc(C#N)cc1F 75829160 HQKASYZLLRDSTD-UHFFFAOYSA-N 298.361 3.815 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2ccccc2OCC#N)c1 121828214 JMMMVHOYQPUYLR-AWEZNQCLSA-N 295.338 3.815 30 20 CHED COCCCOc1ccccc1N[C@@H]1CCC[C@H](C#N)C1 185741722 IPCKXIUNRDITCV-LSDHHAIUSA-N 288.391 3.596 30 20 CHED CCCC1CCC(N(C)C(=O)CC(C)(C)C#N)CC1 508486061 GPJRGASZGXKPQT-UHFFFAOYSA-N 264.413 3.744 30 20 CHED CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cccc(C#N)c1C 187617423 XUZBJLREOPMGGF-IAQYHMDHSA-N 271.364 3.519 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2cccc(C3CC3)c2)C1 413471314 NQZVXGJGEBSBDT-IFXJQAMLSA-N 296.414 3.695 30 20 CHED CC[C@@H](C#N)Sc1nnc(C[C@H](C)c2ccccc2)o1 127162600 SJTFIQKLHMDOSX-AAEUAGOBSA-N 287.388 3.810 30 20 CHED O=C(/C=C/c1ccc(F)c(Cl)c1)c1ccco1 121343827 ZBATTXZTLOGYKA-GQCTYLIASA-N 250.656 3.968 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCCc3ccccc32)c1 503438202 SCEWYTZFYJRRHV-UHFFFAOYSA-N 296.757 3.805 30 20 CHED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 185775590 SSKBNCUWPLMZKH-HOCLYGCPSA-N 256.393 3.636 30 20 CHED O=C(O)c1cccc(/C=C/C(=O)c2cccc(F)c2F)c1 126511097 GEMVWRPHXXUSKH-BQYQJAHWSA-N 288.249 3.559 30 20 CHED N#Cc1cc(NC(=O)c2ccccc2F)ccc1Cl 37979464 RNFVZTMSYCJLAV-UHFFFAOYSA-N 274.682 3.603 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2csc(-c3ccccc3)n2)C1 185799699 JYQVJVTVVJORQB-DZGCQCFKSA-N 297.427 3.982 30 20 CHED C[C@@H](c1ccncc1)N(C)Cc1ccc(Cl)cc1C#N 187365096 UUUAHWSIWZLVBJ-LBPRGKRZSA-N 285.778 3.800 30 20 CHED N#Cc1cnc(NCc2cc(C3CC3)ccc2F)c(F)c1 413328796 OCFAXQFDTJHUAM-UHFFFAOYSA-N 285.297 3.721 30 20 CHED N#C[C@H](NC(=O)CCc1ccccc1)c1ccccc1Cl 49904440 LJOBIAFLRVJQPI-INIZCTEOSA-N 298.773 3.654 30 20 CHED N#CC1(CNCc2csc(-c3ccsc3)n2)CCC1 418143431 PKZYTKAZAAXQOI-UHFFFAOYSA-N 289.429 3.655 30 20 CHED CC[C@H](C)N(C(=O)c1cccc(CC#N)c1)[C@H](C)CC 180514657 BCUGYBQLMKDMQV-OKILXGFUSA-N 272.392 3.792 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1ccnn1C)CCO2 130169861 IXQXZWRZYNNLCI-UVTDQMKNSA-N 296.370 3.592 30 20 CHED CC(C)N(CCC#N)Cc1ccccc1Br 44414975 RZCDKQWSBRLZMU-UHFFFAOYSA-N 281.197 3.573 30 20 CHED CCN(CCOc1cccc(C(C)(C)C)c1)C[C@@H](C)C#N 504120587 DQVNGXQHBWMBJV-HNNXBMFYSA-N 288.435 3.844 30 20 CHED Cc1noc(C2CC2)c1N=C(O)CCN1CCCC[C@@H]1C 328802231 ZVADXLOTPUTTPH-NSHDSACASA-N 291.395 3.713 30 20 CHED N#Cc1nnc2ccccc2c1N[C@@H]1CC12CCCCC2 329112586 KSQWJYAODUHBOB-OAHLLOKOSA-N 278.359 3.636 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2sccc2C)cc1 130132460 SZAGLZIHWKMEOD-BQYQJAHWSA-N 286.352 3.739 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1 44539155 PRADQABBHCKVTQ-MRXNPFEDSA-N 296.395 3.791 30 20 CHED C#CCCCC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 192172209 GVUMTZFMUCRDRT-XJKSGUPXSA-N 285.387 3.698 30 20 CHED Clc1ccc(C#CCSc2nccn3ccnc23)cc1 193563721 DUEDOOPFBMRCKU-UHFFFAOYSA-N 299.786 3.527 30 20 CHED COC1(CNc2nc3c(cc2C#N)CCCC3(C)C)CCC1 428144146 GRMQISIXQKIFQH-UHFFFAOYSA-N 299.418 3.548 30 20 CHED CO[C@H](C)c1nc(CN(CCC#N)CC(C)(C)C)cs1 175255067 QXKJSDREYZQFDQ-GFCCVEGCSA-N 295.452 3.612 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccc2c(c1)CCCN2 423443468 KQCRSRPCUCFVPS-ZIAGYGMSSA-N 258.409 3.735 30 20 CHED C=C[C@@H](CC(=O)N(C)c1c(C)noc1C)c1ccccc1 137058458 XNIHUMUFMBTZSC-AWEZNQCLSA-N 284.359 3.614 30 20 CHED C=CCCC(=O)COc1ccccc1C(F)(F)F 134693698 TUIPRSHTIAUFSQ-UHFFFAOYSA-N 258.239 3.620 30 20 CHED CC1(C)CCCc2cc(C#N)c(NC[C@@]3(C)CCCO3)nc21 428143437 VZMJEJLDCAXWLV-GOSISDBHSA-N 299.418 3.548 30 20 CHED C#CCCCC(=O)N1CCC[C@@H](C)c2ccccc21 190661520 MGZTXSFWAZATIZ-CQSZACIVSA-N 255.361 3.720 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](C2CCCC2)C1 420841292 UZKCQEWKUHPZKM-OAHLLOKOSA-N 264.413 3.564 30 20 CHED C#CCOC(=O)c1oc2c(ccc3ccccc32)c1C 49005625 ATPFREYQVFYRDK-UHFFFAOYSA-N 264.280 3.684 30 20 CHED N#Cc1csc(CN2CCc3cc(Cl)ccc3C2)c1 191612415 GCYRMPCEZNNOCL-UHFFFAOYSA-N 288.803 3.831 30 20 CHED CC(C)n1ccnc1CN(Cc1ccc(C#N)cc1)C1CC1 195515376 SRVLMYFPAWXSJB-UHFFFAOYSA-N 294.402 3.500 30 20 CHED Cc1cc(/C(O)=N/[C@@H]2CCCC(F)(F)C2)c2n[nH]cc2c1 330186264 JQCVGENQKWIWNP-LLVKDONJSA-N 293.317 3.754 30 20 CHED C=CCC1(C(=O)Nc2nnc(C3CC3)s2)CCCCC1 515035965 BVBRAYUZROZQHR-UHFFFAOYSA-N 291.420 3.881 30 20 CHED C=CCN(CCC#N)Cc1c(Cl)cccc1Cl 428852831 WNHKIOKYIPWTRU-UHFFFAOYSA-N 269.175 3.895 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1 335954148 UWOONCYMQAYPSI-FZKQIMNGSA-N 277.371 3.681 30 20 CHED N#Cc1ccsc1C(=O)OCc1cc2ccccc2o1 194593417 MIOFRLBGCIGFFH-UHFFFAOYSA-N 283.308 3.723 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](CC(F)F)c1ccccc1 420845211 OCUMYIYZGXCOAX-ZDUSSCGKSA-N 296.361 3.894 30 20 CHED C[C@H](C#N)CNCc1ccc(-c2ccc(Cl)cc2)o1 237408778 YVRIZNCPPHGQIL-LLVKDONJSA-N 274.751 3.849 30 20 CHED CC[C@H]1C[C@@]1(NC(=O)c1ccc(C#N)o1)c1cccc(C)c1 512925892 PREATMVRKLKGRZ-UGSOOPFHSA-N 294.354 3.515 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@H]2c2ccccc2)cn1 426889976 PLTYGBNKOZYAPK-IRXDYDNUSA-N 263.344 3.701 30 20 CHED N#CCc1ccccc1NC(=O)c1ccc(Cl)cc1F 334306722 DLXTXRQLWCMWPC-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=CCN(C)C(=O)c1cccc(Nc2ccccc2)c1 428273325 CIGJQFBVCJRYSE-UHFFFAOYSA-N 266.344 3.688 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccc(Cl)cn2)CC1 338909202 GNNGHMRINDWJKU-NSHDSACASA-N 278.783 3.659 30 20 CHED N#CCc1ccc(NC(=O)C23CCC(CC2)C3)c(Cl)c1 334644491 JLWHLLPLOXGOML-UHFFFAOYSA-N 288.778 3.925 30 20 CHED CC[C@@H](CC#N)/N=C(/O)c1sc(CC(C)C)nc1C 330894687 ZWVFXLJSMKRVEI-NSHDSACASA-N 279.409 3.647 30 20 CHED N#Cc1cccnc1NC[C@H]1CCCCC(F)(F)C1 291973921 WJXSOQBFOBRRQQ-NSHDSACASA-N 265.307 3.581 30 20 CHED CC[C@H]1CC[C@H](C(O)=Nc2c(-c3ccccc3)n[nH]c2C)O1 330191733 XGUQETXIKAGPIX-UONOGXRCSA-N 299.374 3.931 30 20 CHED C=CCOCCCN1CC[C@@H](c2ccccc2)C[C@H]1C 439332512 SYZSNZDVDMNCML-SJLPKXTDSA-N 273.420 3.847 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SC[C@@H](C)C(F)(F)F 439028431 QMXHQRKRULTVHD-MNOVXSKESA-N 295.370 3.507 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CC(c2ccccc2C)C1 436290464 YXUMXYZAZXIMPF-RMFNQSEZSA-N 285.431 3.812 30 20 CHED Cc1cc(Cl)c(NC(=O)[C@]2(C#N)C[C@H]2C)cc1Cl 334542711 YOMHHRBISGKANG-OQPBUACISA-N 283.158 3.790 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1(CC)CCC1 433443965 OVFIMOPVGCYKOF-UHFFFAOYSA-N 271.404 3.824 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1nccc2ccccc12 527999823 YHADCAYNUHIVGD-HOCLYGCPSA-N 268.360 3.628 30 20 CHED Cc1ccnc(N(C)[C@H](C)c2ccc(F)cc2)c1C#N 343501079 BQESTTYQHDQVTQ-GFCCVEGCSA-N 269.323 3.598 30 20 CHED Cc1[nH]c(=N[C@H](C)c2cc3ccccc3o2)ccc1C#N 436716667 UUWKJRQCBJJFES-GFCCVEGCSA-N 277.327 3.603 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCCCS2)n1 340792345 DJJZBVIKWRZMCD-JTQLQIEISA-N 252.383 3.882 30 20 CHED Brc1ccc(C=NNc2ccccc2)s1 254812518 JJXWRFFIRQKISE-UHFFFAOYSA-N 281.178 3.957 30 20 CHED CC(C)Cc1ccc(CNCC2(CC#N)CC2)cc1 430041605 NYPDDSYKSJVLRF-UHFFFAOYSA-N 256.393 3.669 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1ccccc1CC#N 344408497 ZXWBOYQXBINFKF-OCCSQVGLSA-N 256.349 3.517 30 20 CHED Cc1nc2c(OCc3ccc(C#N)cc3)cccc2o1 340594491 JLXPWVQVVYRHDY-UHFFFAOYSA-N 264.284 3.587 30 20 CHED N#CCC1CCN(c2nc3ccc(F)cc3s2)CC1 603332761 OOELJWATDQQEMQ-UHFFFAOYSA-N 275.352 3.565 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1c(F)cc(F)c(F)c1F 430743072 NRWGFFRUZYTNDB-IUCAKERBSA-N 275.289 3.933 30 20 CHED C[C@@H]1C[C@@H](CC(=O)NCC2(CC#N)CC2)CC(C)(C)C1 431183818 YTFOWJKQLWHRMQ-KGLIPLIRSA-N 276.424 3.649 30 20 CHED C=CCOc1cccc(N=Cc2cc(OC)ccc2O)c1 255327764 OHRXEKGTMZZPOG-UHFFFAOYSA-N 283.327 3.716 30 20 CHED CCCC1(C(=O)Nc2cccc(C#N)c2C)CCC1 432332844 CHRKAJNUAFCGJO-UHFFFAOYSA-N 256.349 3.776 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2cc(F)ccc21 436309433 RROBHWVQNZCVSU-QGTPRVQTSA-N 289.394 3.774 30 20 CHED COc1cc(C#N)ccc1CN(CCC(C)C)C1CC1 347265467 MCNWGPNNSUQFLY-UHFFFAOYSA-N 272.392 3.577 30 20 CHED CCc1ccc([C@H](C)C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1 609735690 PLGBNLIAPMEWKT-YZVOILCLSA-N 298.430 3.941 30 20 CHED C=CC1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 600684345 GYDRXDHEGYYJBY-LBPRGKRZSA-N 292.810 3.565 30 20 CHED C=CCCC1(C(=O)N2CCC(c3ccncc3)CC2)CC1 357153664 VFJALEFFBSZLOM-UHFFFAOYSA-N 284.403 3.534 30 20 CHED C[C@@H](CCC#N)CN1CC=C(c2c[nH]c3ncccc23)CC1 602436700 ZHHLCNJOMOEXJF-AWEZNQCLSA-N 294.402 3.592 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1nccc2ccccc12 353639434 SVWKQBFLUOSQTP-ZDUSSCGKSA-N 265.360 3.579 30 20 CHED C(=NN=C(c1ccccc1)c1ccccc1)c1cccnc1 263630853 MXLFAJAWORICJV-UHFFFAOYSA-N 285.350 3.953 30 20 CHED C=CCCC(=O)N(CC(F)(F)F)c1ccccc1 265358056 WCBZTRYODXGCHC-UHFFFAOYSA-N 257.255 3.548 30 20 CHED CCC[C@@H](NCc1cc(C#N)cs1)C(C)(C)C 449469168 LXGKGIVGFGLHEL-CYBMUJFWSA-N 250.411 3.924 30 20 CHED CCN(C[C@@H](C)C#N)C[C@H](C)c1cc(F)cc(F)c1 449013090 ATLFDVOAGNTOFN-RYUDHWBXSA-N 266.335 3.550 30 20 CHED Cc1cn(Cc2nc(-c3ccccc3)oc2C)cc1C#N 531578070 DQTYXYDFVRONOI-UHFFFAOYSA-N 277.327 3.680 30 20 CHED C[C@H](CN(C)CCCCC(C)(C)C#N)c1nccs1 444689401 NIGIAWJFDJKMDY-CYBMUJFWSA-N 279.453 3.898 30 20 CHED CCc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 448562418 TTWJYJDEIJCBEP-KRWDZBQOSA-N 268.360 3.662 30 20 CHED N#CCC[C@@H](C#N)CN1CCC(Cc2ccc(F)cc2)CC1 264912309 ZMYDADQPMGONJA-KRWDZBQOSA-N 299.393 3.524 30 20 CHED Cn1nccc1-c1ccccc1OCc1ccc(C#N)cc1 358585181 GXOWRIWJBNRBED-UHFFFAOYSA-N 289.338 3.538 30 20 CHED N/C(=N/CCC1=CCCCC1)Nc1cc(F)ccc1F 262290119 NKIQXIBVVVWLQI-UHFFFAOYSA-N 279.334 3.582 30 20 CHED Cc1ccccc1[C@@H](NCC1(C#N)CC1)C(C)(C)C 539491964 XQWQCQKKSJPSRP-OAHLLOKOSA-N 256.393 3.976 30 20 CHED CC(C)N(CCN[C@@H]1CCCc2cc(C#N)ccc21)C(C)C 611390105 CHFLZMVCQJGEIZ-LJQANCHMSA-N 299.462 3.644 30 20 CHED CCc1nc([C@@H](C)Nc2ccc(F)cc2C#N)cs1 266335031 HLIOQOLUVZVYKT-SECBINFHSA-N 275.352 3.889 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2cc(F)ccc2[nH]1 352487741 INHRURZCWDFRJN-UHFFFAOYSA-N 274.339 3.639 30 20 CHED C[C@@H](CCc1ccco1)N=c1ccc2cc(C#N)ccc2[nH]1 536767597 SGPYUNYYDPFEFF-ZDUSSCGKSA-N 291.354 3.555 30 20 CHED CCOCCC1(CN[C@@H]2CCc3ccc(C#N)cc32)CCC1 353244106 UAYLOYGBBJEPNP-GOSISDBHSA-N 298.430 3.732 30 20 CHED C=C(C)COCCN[C@@H]1CCC[C@@H]1c1ccc(C)cc1 537962409 XYQNABDWOJWBLM-QZTJIDSGSA-N 273.420 3.813 30 20 CHED Cc1csc(CN(CC(C)C)c2ccc(C#N)cc2)n1 357715966 LLTNWBHMJRSBHS-UHFFFAOYSA-N 285.416 3.986 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCSc2ccc(F)cc2)C1 442636554 TXNODDFYZQVEGM-TZMCWYRMSA-N 278.396 3.590 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCCC(CC)(CC)C1 618667817 FTAHWDZFDHXNJY-MRXNPFEDSA-N 281.440 3.644 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cccc(F)c1Cl 459561588 BROALHUIAZAKGH-UHFFFAOYSA-N 283.734 3.540 30 20 CHED N#Cc1ccc(CN2CC(Cc3ccc(F)cc3)C2)c(F)c1 611173059 RUEJZKIRBVYILW-UHFFFAOYSA-N 298.336 3.511 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](CC1CCCC1)C(C)C 537726575 YCSVBPYMCGXEMI-CABCVRRESA-N 264.413 3.647 30 20 CHED C=CCC(CC=C)C(=O)NCCCCN1CCCC[C@@H]1C 268145592 JDUIXVNEFAADCI-INIZCTEOSA-N 292.467 3.526 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCC[C@@H]1CCCCO1 612830347 BPPRLJZBAXSQNC-HKUYNNGSSA-N 298.430 3.875 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C(C)(C)c1ccccc1Cl 611251065 POYACGOSDZSPOA-GFCCVEGCSA-N 292.810 3.672 30 20 CHED C[C@H](CC#N)NCc1ccc(-c2ccccc2C#N)cc1 611337736 QAIZKQZOFNXCEA-CQSZACIVSA-N 275.355 3.617 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 451688760 KFVHCHSZNDRIBH-DDBAPUKQSA-N 299.414 3.577 30 20 CHED C=CC[C@@H](C(=O)N1CC2(CCCC2)C1)c1ccccc1 366680414 IDYWVPRWSHNPQM-MRXNPFEDSA-N 269.388 3.749 30 20 CHED Cc1cc2occ(CC(=O)NCC(C)(C)CC#N)c2cc1C 457994240 XTEQMQNCMLIJQX-UHFFFAOYSA-N 298.386 3.648 30 20 CHED C=C(CC)CN[C@@H]1CCSc2ccc(F)cc21 453373323 SLWSQLPESCRNDG-CYBMUJFWSA-N 251.370 3.918 30 20 CHED Cc1c(F)ccc2sc(NC(=O)CC(C)(C)C#N)nc12 278973181 JGBMBCXIGKPUML-UHFFFAOYSA-N 291.351 3.622 30 20 CHED C[C@H](c1ccco1)N(C(=O)c1ccc(C#N)s1)C1CC1 362907166 ZXBGWPKAPCCNMV-SNVBAGLBSA-N 286.356 3.579 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1 617777290 LTNQSQHQOZSZND-AWEZNQCLSA-N 269.388 3.992 30 20 CHED CCCN(CCC(C)(C)C#N)Cc1ccc(OC)cc1 611462485 HNGOMTYSEYRVDS-UHFFFAOYSA-N 274.408 3.847 30 20 CHED N#Cc1ccc(CN[C@@H](CC2CC2)c2ccccc2)nc1 615092178 HMAWHIBYWWWCOV-SFHVURJKSA-N 277.371 3.584 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc(C)cc1OCC 544175616 ZITLZTOGBCQCEQ-HNNXBMFYSA-N 290.407 3.548 30 20 CHED CCc1cccnc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618808120 ZEMBFOVDWSLCQX-FZKQIMNGSA-N 291.398 3.854 30 20 CHED C=CCCCCCN(C)Cc1ccc2c(c1)ncn2C 540504130 BZEOMBUKHVJOAZ-UHFFFAOYSA-N 271.408 3.752 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1sc(CCC)nc1C)OCC 362461050 QOGQAOLIQRCSIF-GFCCVEGCSA-N 296.436 3.714 30 20 CHED C=C(CC)CNC(=O)CCCc1cc(C)sc1C 456815969 ZXJLOBLVCPXSLZ-UHFFFAOYSA-N 265.422 3.770 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](C)c1sc(CC)nc1C 455518357 GFHGYJNWSYFCAH-LBPRGKRZSA-N 295.452 3.683 30 20 CHED C=CCC[C@H](C)NC1CC(OCc2ccccc2)C1 546620684 DBFSDFVKBAWMNB-OOHWJJMZSA-N 259.393 3.679 30 20 CHED C=CC[C@H](C)NC1CCN(Cc2ccccc2Cl)CC1 272878951 NFNDZRCOHNHOCO-AWEZNQCLSA-N 292.854 3.859 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2cccc(C)c2C1 276954359 DCBNYAGSPCQWQE-UHFFFAOYSA-N 269.388 3.648 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)Nc1ccc(C#N)cc1 454171025 MLBCDOPCMVLQRF-QGZVFWFLSA-N 285.391 3.991 30 20 CHED CC1(C)CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 455331580 AWWWKDVJEPECFM-UHFFFAOYSA-N 298.430 3.776 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)[C@@H](C)c1cccc(C#N)c1 457201111 XRYJARHUFQUMQA-STQMWFEESA-N 272.392 3.603 30 20 CHED C=CC[C@H](CC)NC(=O)NCC1(c2ccccc2)CCC1 540766551 GLOMOOUPZMVEKM-INIZCTEOSA-N 286.419 3.762 30 20 CHED C=CC[C@H](CC)N[C@H](C)CCc1ccccc1[N+](=O)[O-] 467416805 HQPPXQBLTSMCBD-HIFRSBDPSA-N 276.380 3.860 30 20 CHED C=C(C)Cn1c(C)nnc1N(CC1CC1)C1CCCCC1 460930728 AJORGGBQQARZMD-UHFFFAOYSA-N 288.439 3.712 30 20 CHED CSCCCCCN[C@@H](C)c1ccc(C#N)c(F)c1 274816186 WSZVAJIOZCFEQU-LBPRGKRZSA-N 280.412 3.881 30 20 CHED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CC#N 464766540 UIGAMMNHCSFHRD-AWEZNQCLSA-N 250.345 3.870 30 20 CHED N#CCCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 375096958 OBSRSOJJGWUUAT-UHFFFAOYSA-N 276.330 3.748 30 20 CHED CCC(CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C 464160662 YVSOIEHOHAXQBQ-ABAIWWIYSA-N 252.402 3.503 30 20 CHED CC(C)(C)[C@@H](NCc1cc(C#N)ccc1F)C(F)(F)F 548787101 BFKFJCKEOLWWJV-GFCCVEGCSA-N 288.288 3.764 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 466230946 APBBUGKFARLUEX-OCCSQVGLSA-N 296.292 3.952 30 20 CHED C=CCSCc1cc(Br)ccc1OC 379490671 PSPIDUDHUYPDEB-UHFFFAOYSA-N 273.195 3.877 30 20 CHED CCC(CC)N(CC)C(=O)c1cc(C#N)ccc1Cl 289243718 ZUDPUIUKCLKHOJ-UHFFFAOYSA-N 278.783 3.862 30 20 CHED C=CC[C@H](CC)NC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 466377830 WNLJODCQADOZBX-IHRRRGAJSA-N 266.429 3.950 30 20 CHED C=CCc1ccc(OCc2cc(OC)cc(C)n2)c(OC)c1 552301466 DHEVYTWYOBWESY-UHFFFAOYSA-N 299.370 3.715 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCc1cccc(Cl)c1 467929785 MSZJECMDEXIMGJ-MRXNPFEDSA-N 279.811 3.991 30 20 CHED C=CCC[C@H](CCC)NCC1(CC)CCOCC1 462124907 XMJGBXSQOSWWEI-HNNXBMFYSA-N 253.430 3.918 30 20 CHED CO[C@@](C)(CNc1ccc(C#N)cc1C(F)(F)F)C1CC1 461877701 OIDIPTLKQDPSIC-AWEZNQCLSA-N 298.308 3.804 30 20 CHED Cc1ccc([C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)c(C)c1 280460028 OKKXKLQVMPAYTD-IAGOWNOFSA-N 281.403 3.536 30 20 CHED N#CCSCCCN1CC2(CCC2)c2ccccc21 372832068 RZQZKQZOYQIMIK-UHFFFAOYSA-N 272.417 3.575 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1scc(C)c1C#N 288701720 DKMLXBOXPZIYNA-UONOGXRCSA-N 296.395 3.979 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)c1cccs1 467526582 WIOSVBQAZLRWHE-UHFFFAOYSA-N 263.406 3.868 30 20 CHED C=C(C)Cn1c(N2CC[C@@H](C)[C@H]2CC)nnc1C(C)(C)C 460551315 IWHSUWJSDBOFJV-ZIAGYGMSSA-N 290.455 3.777 30 20 CHED N#Cc1ccnc(N[C@H]2CCC[C@H]2Cc2ccccc2)c1 557604812 XKEILCRFPAWFKX-IRXDYDNUSA-N 277.371 3.777 30 20 CHED COCCCO/N=C(\C)c1csc(-c2ccccc2)n1 286444846 QKKLWNPRQUWXLX-SFQUDFHCSA-N 290.388 3.587 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(Oc2ccccn2)cc1 477565436 XPANXMUICHPNGE-UHFFFAOYSA-N 297.358 3.914 30 20 CHED C=CCCC1(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 474579490 RBPFEDAOFXOVQY-QPSCCSFWSA-N 261.409 3.674 30 20 CHED COc1ccc([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)cc1C 296506328 PHRVSRIKUZNHSQ-YCPHGPKFSA-N 272.392 3.737 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 294451626 OWXWBJVEGZPSIW-GFCCVEGCSA-N 279.380 3.691 30 20 CHED C=CCCCCNC(=O)Cc1cccc2ccc(OC)cc12 471713055 FIQRAOHMHGFTBU-UHFFFAOYSA-N 297.398 3.863 30 20 CHED C=C(C)CN1CCC(N[C@H](C)C2C(C)(C)C2(C)C)CC1 474712606 NMWGDPDGKKRDKL-CQSZACIVSA-N 278.484 3.687 30 20 CHED N#Cc1sc(N[C@H]2CSc3ccccc32)nc1Cl 804464247 RLJBESGYFXWKJZ-QMMMGPOBSA-N 293.804 3.927 30 20 CHED N#Cc1cccc(CC(=O)OCc2ccc3occc3c2)c1 808819607 GAXQOVXPILPZKN-UHFFFAOYSA-N 291.306 3.590 30 20 CHED C=CCCCCNC(=O)C[C@H](C)c1ccc(F)cc1F 471714680 JWKHBUBYIHEJMY-LBPRGKRZSA-N 281.346 3.931 30 20 CHED CCCCCCCCNC(=O)N[C@H](C)C(F)(F)F 807022974 WUOUPMDDKPRZEQ-SNVBAGLBSA-N 268.323 3.597 30 20 CHED CC(=NN[C@H]1CCSC1)c1ccc(Cl)cc1Cl 808004177 HWDOFCSXUHPGBW-JTQLQIEISA-N 289.231 3.813 30 20 CHED CN(Cc1nc(-c2ccccc2)c[nH]1)CC(C)(C)CCC#N 291509506 WYVFQQVOEODTCH-UHFFFAOYSA-N 296.418 3.838 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc(OC(F)F)c(F)c2)C1 293840198 XSCYEEXSAVRALX-CMPLNLGQSA-N 298.308 3.599 30 20 CHED C=CCCC1(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CC1 476108806 LGNWRSSZGWTVEL-OAHLLOKOSA-N 287.403 3.625 30 20 CHED CC(C)c1nc2ccc(NCCO[C@@H](C)C#N)cc2s1 802742003 XNMGQHGFFCFPTM-NSHDSACASA-N 289.404 3.760 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCC1 479776487 IBKDXUCCAOSXCD-RRFJBIMHSA-N 261.409 3.818 30 20 CHED C#C[C@@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1F 804419493 OEELFDMSNRSHMX-OAHLLOKOSA-N 293.769 3.850 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 295309059 KLVXJQIYQHSAQM-HYVNUMGLSA-N 284.403 3.974 30 20 CHED N#Cc1ccc(N[C@@H](CO)C2CCCC2)cc1C(F)(F)F 395179779 UWQQYXSZRLRFQT-AWEZNQCLSA-N 298.308 3.540 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)CCC1CC1 470322838 CGTBCOJOAKDLDX-HNNXBMFYSA-N 286.419 3.963 30 20 CHED C=CCCCCCCNC(=O)N1CCC2(CCC2)C1 806004858 ZDFXLOFCWIEABG-UHFFFAOYSA-N 264.413 3.709 30 20 CHED C=CCn1c(CC)nnc1N(CC1CC1)C1CCCCC1 566647790 NLNVTOGTYULQGJ-UHFFFAOYSA-N 288.439 3.576 30 20 CHED Cc1cc(C)c([C@H](C)NCc2ccc(C#N)cc2)c(O)c1 815560691 NDRCCDIDBYABHD-AWEZNQCLSA-N 280.371 3.732 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)OC1CCCCCC1 488813916 JBCWIXAYWNYMRQ-GJZGRUSLSA-N 279.424 3.681 30 20 CHED C[C@H]1CCC(=NNC(=S)Nc2cccc(Cl)c2)C1 814736520 ORBUAUVWZKJDBH-VIFPVBQESA-N 281.812 3.802 30 20 CHED CC[C@H](OC(=O)CCCC#N)C(=O)c1ccc(Cl)cc1 812617279 KKPIHDIQDGCOPD-ZDUSSCGKSA-N 293.750 3.538 30 20 CHED O=C(O)c1ccc(NN=C2CCCCC23CCCC3)nc1 814890357 LJSCQNCCXAMHTH-UHFFFAOYSA-N 287.363 3.682 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 485591555 NXAMXUSMWBUZGC-CYBMUJFWSA-N 264.756 3.912 30 20 CHED C=CCC[C@H](C(=O)N(C)Cc1ccoc1)c1ccccc1 488707824 FPFXTKVQBKSCMN-KRWDZBQOSA-N 283.371 3.988 30 20 CHED C=CCC(C)(C)CNC(=O)CCCOc1cccc(F)c1 489885774 QAKAAKCCYRASIS-UHFFFAOYSA-N 293.382 3.703 30 20 CHED N#C[C@H](C(=O)[C@H]1CCCSC1)c1ccc2ccccc2n1 810521162 LLWRNMTZJSEUTC-KBPBESRZSA-N 296.395 3.554 30 20 CHED Oc1cccc(/C=N\[C@H]2C[C@H](c3ccc(F)cc3)C2)c1O 814182995 BOBWFNDOQMCAJK-AMSFDCQKSA-N 285.318 3.602 30 20 CHED Cc1c(C(=O)Nc2cccc(OCC#N)c2)ccn1C(C)C 815038486 JUESUVRALGJMHH-UHFFFAOYSA-N 297.358 3.532 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@@H]2C(C)(C)C#N)n1 814855787 SSVQOPDHISQLLU-JTQLQIEISA-N 291.786 3.556 30 20 CHED C=CCCCCOC(=O)/C=C\c1ccc(Cl)nc1 811013687 GGDAUTCDCGXZBZ-CLFYSBASSA-N 265.740 3.648 30 20 CHED C#Cc1cccc(NCc2cc(Cl)c(F)cc2O)c1 816570081 HMGJVBPLPLQYIU-UHFFFAOYSA-N 275.710 3.778 30 20 CHED Cc1ccc(OC(F)F)c(C=NOC/C=C\Cl)c1 811669577 QTKLOJBDJGJBFW-JLKWVEIZSA-N 275.682 3.699 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)COC2 482732465 BJDXSZFTGUBGTD-UHFFFAOYSA-N 299.414 3.925 30 20 CHED CC(C)(C)CN(CCC#N)C[C@]1(C)CC1(Cl)Cl 827872801 JSCKFQYMFHGQPW-LBPRGKRZSA-N 277.239 3.832 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 822106908 LWRNIRYWTJPTBX-NEPJUHHUSA-N 299.342 3.531 30 20 CHED CC(C(=O)Nc1cccc(OCCCC#N)c1)=C1CCC1 825360712 XURMNQBCMIAKJR-UHFFFAOYSA-N 284.359 3.808 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)nc1 728810868 MZHLKJNYOIEQPE-OAHLLOKOSA-N 292.382 3.513 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)C(=O)N(C)CC(C)(C)C#N 497332689 ZHECFTXNMIDQOF-LBPRGKRZSA-N 292.810 3.527 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@H](CC#N)C1 824745728 DZMOJOFMIGOVEM-CYBMUJFWSA-N 288.391 3.651 30 20 CHED CC(C)C#CC(=O)Nc1ccc(CCC(F)(F)F)cc1 829851209 CMPQHHOTKUBKIM-UHFFFAOYSA-N 283.293 3.779 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccnc2Cl)c1 726434004 CYGRKNQJRYPSCF-UHFFFAOYSA-N 287.775 3.525 30 20 CHED C=C(C)CN(C)C(=O)/C=C(/C)c1ccccc1OC(F)F 588395203 DLNSXIFGNUSOTE-XFXZXTDPSA-N 295.329 3.726 30 20 CHED Clc1ccccc1C=Nn1cnc2ccccc21 725848241 NUNPMVBCVAWORX-UHFFFAOYSA-N 255.708 3.572 30 20 CHED N#Cc1ccc(CCOc2cccc3c2CCCC3=O)cc1 663982798 NUBDZVFHFZQHOS-UHFFFAOYSA-N 291.350 3.699 30 20 CHED C=CCCCCCNc1cccc([S@@](C)(=O)=NC)c1 902142714 BIZZGOCTEXIQNQ-LJQANCHMSA-N 280.437 3.931 30 20 CHED N#CC1(CCCCSCCOC[C@@H]2CCCO2)CCC1 901769844 PPDAKBLCIASYMP-HNNXBMFYSA-N 297.464 3.779 30 20 CHED C#C[C@H](NCc1nc(C)cs1)c1ccc(Cl)cc1 491733114 MPYPPKAEQJGODR-ZDUSSCGKSA-N 276.792 3.569 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(C(C)=O)cc1C 839270552 ITDBEIZRBRCYJD-UHFFFAOYSA-N 260.333 3.705 30 20 CHED N#CCCC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 584410108 AQNNKTJJBUEXFT-UHFFFAOYSA-N 296.414 3.651 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCC#Cc1ccccc1 835090879 GPCOFLJCHUIAOL-CYBMUJFWSA-N 284.277 3.560 30 20 CHED CC[C@H](C)[C@@H](C=NNc1cc(C)ccc1F)OC 834962430 WOVBLXRYJAYNJX-SMDDNHRTSA-N 252.333 3.593 30 20 CHED CC(C)(C#N)CN[C@@H]1CCCOc2cc3c(cc21)CCC3 903100787 XRZJXOZLPDSARK-MRXNPFEDSA-N 284.403 3.528 30 20 CHED CC#CCOC(=O)c1c(F)ccc(SCC2CC2)c1F 838151347 YBLXTLUUAQCMDS-UHFFFAOYSA-N 296.338 3.647 30 20 CHED C=CC[C@H](CO)CN[C@H](C)C1(c2ccccc2)CCCC1 583225515 BEHYKEQRRVVGGM-SJORKVTESA-N 287.447 3.661 30 20 CHED C=CC(C)(C)CNC(=O)/C=C/Sc1ccccc1 836828816 PIWCLXYPMPPZHU-ZHACJKMWSA-N 261.390 3.621 30 20 CHED Cc1cc(C)c2c(c1)[C@H](NCC(C)(C)C#N)CCCO2 903099917 BVWJQUARYWCROT-OAHLLOKOSA-N 272.392 3.657 30 20 CHED C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 839047260 DOZAKUUFFLTDPO-XJKCOSOUSA-N 289.350 3.945 30 20 CHED N#CC1(CCCCn2ccc(-c3nccs3)n2)CCC1 902732968 BOONDHRJXQFJMA-UHFFFAOYSA-N 286.404 3.871 30 20 CHED N#C[C@]1(C(=O)OCc2ccc(Cl)cc2)CC12CCCC2 837901642 FHCYITBSWWGUJN-INIZCTEOSA-N 289.762 3.857 30 20 CHED C[C@@H](N[C@@H](C1CCC1)C1CC1)c1ccc(C#N)c(F)c1 834912727 UFNGEFAIHUMDFH-DIFFPNOSSA-N 272.367 3.927 30 20 CHED CC(=NNc1cnccn1)c1cccc(Cl)c1Cl 734978879 WMYZVSZENKGWRS-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)c1ccccc1 837390580 HLRXRVSKGAQUSN-CQSZACIVSA-N 271.404 3.518 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CCSc2c(F)cccc21 837319785 MUDIMLQCCHTWNQ-ZDUSSCGKSA-N 291.391 3.528 30 20 CHED CCC[C@@H](NC(=O)CCCCCC#N)c1ccccn1 588347927 BHGKOFHOYIHJJR-OAHLLOKOSA-N 273.380 3.513 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 835038302 VKMJNWHGLLRBTC-HZSPNIEDSA-N 295.386 3.576 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)OCCCCC#N 830097948 NJZGPHZVRQEKSZ-CQSZACIVSA-N 251.370 3.996 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 831057102 BDIQMKCDOZWWLT-UHFFFAOYSA-N 296.292 3.583 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cnn(C)c1Cl)CC2 834430860 ZLXJONVFCWVIMC-XYOKQWHBSA-N 286.762 3.594 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1ccc(O)cc1 915051021 JSTHSTTULWNWIH-UHFFFAOYSA-N 295.264 3.642 30 20 CHED Cc1cccc2c(N(C)CC3=CCSC3)c(C#N)cnc12 596554528 SNIXWKXSFQOJBW-UHFFFAOYSA-N 295.411 3.524 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)O[C@H]2CCC[C@H](C)C2)c1 742511294 LUASUDPKZOPYBY-WBAXXEDZSA-N 299.414 3.980 30 20 CHED CC(C)(C)C#CC(=O)N(CC1CC1)C1CCCCC1 837390428 GDJRYIQUYLUXSR-UHFFFAOYSA-N 261.409 3.607 30 20 CHED CC[C@H](C#N)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 593420967 UWBBPVQYHMEJNC-CHWSQXEVSA-N 284.359 3.892 30 20 CHED CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)[C@@H](C)C#N 598359387 ULJWYAZOGQERGS-NSHDSACASA-N 298.308 3.556 30 20 CHED CC#CCOC(=O)c1cccc(Nc2ccccc2)c1 745058824 XVHPAAFXHJTIHC-UHFFFAOYSA-N 265.312 3.610 30 20 CHED C=CCOC(=O)c1cnc2ccccc2c1C(F)(F)F 913265976 XHLIMAXJJXZYLJ-UHFFFAOYSA-N 281.233 3.596 30 20 CHED C=C[C@@H](C)ON=C(Cc1cccc(OC)c1)C1CC1 844621957 QMUWCJYPTMJAKT-GFCCVEGCSA-N 259.349 3.595 30 20 CHED C=CC[C@H](C(=O)OCc1cc(C2CC2)n[nH]1)c1ccccc1 848011240 FDTFBYMVESZQQK-INIZCTEOSA-N 296.370 3.690 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(-n3ccnc3)cc2)c1 917028667 ZDPXMQDPPWZHPU-UHFFFAOYSA-N 290.370 3.935 30 20 CHED CCN(CC[C@@H]1CCc2ccccc21)C[C@H](C)C#N 595305822 RKCKCEUIXIERDI-ZBFHGGJFSA-N 256.393 3.588 30 20 CHED C#CCCOC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 744048877 DJUDVYASUUZVPR-PKNBQFBNSA-N 282.261 3.675 30 20 CHED CCCCNN=C(C)c1ccc(Br)cc1 915968984 DMBNKQZNWIGUPK-UHFFFAOYSA-N 269.186 3.563 30 20 CHED CCC[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)OCC 599058794 GDTBXQKNEQKPPM-SWLSCSKDSA-N 278.371 3.553 30 20 CHED C[C@H](C#N)OC(=O)CCOc1ccccc1-c1ccccc1 915000960 NHMSWEDADLCDHJ-CQSZACIVSA-N 295.338 3.578 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 594084873 FFZMFAKWZXYGKS-DOMZBBRYSA-N 292.810 3.669 30 20 CHED COc1ccc([C@H](C)Nc2snc(Cl)c2C#N)cc1 746079208 PRISLQNVXRGAPM-QMMMGPOBSA-N 293.779 3.850 30 20 CHED CCOc1ccc(CN2CCC(CC#N)CC2)c(C)c1 597081430 HMKGLDBZZAXIFW-UHFFFAOYSA-N 272.392 3.519 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@@H](C2CCC2)C1)c1ccccc1 840332132 JCZVFUZTMVNGGS-MSOLQXFVSA-N 296.414 3.583 30 20 CHED Cc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)o1 598886204 LMRROVZPBXJIFH-UHFFFAOYSA-N 280.327 3.659 30 20 CHED C[C@H](C=NNc1nccnc1Cl)CCc1ccccc1 749163883 BGNVKSHKTIEDKX-LBPRGKRZSA-N 288.782 3.797 30 20 CHED Cc1oc(-c2cccs2)nc1CN(C1CC1)[C@H](C)C#N 595712951 DCGZFZMGWPUZGX-SNVBAGLBSA-N 287.388 3.588 30 20 CHED CC(C)=CCC[C@H](C)CC=NNc1nc(C)cc(O)n1 916241883 ZCGPTWFMWQMDON-LBPRGKRZSA-N 276.384 3.661 30 20 CHED CC[C@@H](C#N)c1ccc(-c2cc(OC)ccc2CO)cc1 596642185 NNBHPRBGZSNCRR-ZDUSSCGKSA-N 281.355 3.872 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1cccc(C)c1)CC(C)C 593428757 MCNKTACKPDJJGO-MRXNPFEDSA-N 272.392 3.529 30 20 CHED CCc1cc(N2CCC[C@@H](CC#N)C2)c2ccccc2n1 596330238 RLBCXHHVCHVBQB-AWEZNQCLSA-N 279.387 3.927 30 20 CHED C#CCOC(=O)c1cc(-c2ccccc2)cc(Cl)c1O 746079048 LBKQJLUIDRLBFL-UHFFFAOYSA-N 286.714 3.503 30 20 CHED CCO[C@@H]1CC(=NNc2cc(F)cc(F)c2)C12CCC2 741163097 OOIKUTQWTBNTMC-CQSZACIVSA-N 280.318 3.712 30 20 CHED COc1cccc(O)c1/C=N\[C@@H](C)CCCc1cccnc1 840712120 WBWOAZOQUHLHHU-DABDWFRDSA-N 298.386 3.626 30 20 CHED C/C(=C\C(=O)O[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 748396942 YQHHTDMYKPWMRZ-PCYYEKQGSA-N 283.249 3.564 30 20 CHED C=CCN(C(=O)c1ccc(Oc2cccnc2)cc1)C(C)C 920345637 WMIWIXQOWNFFJI-UHFFFAOYSA-N 296.370 3.911 30 20 CHED Cc1cc(C#N)ccc1N1CC[C@@H](C(F)(F)F)[C@H]1C 846756378 XRAZDJARUKMTFK-ZYHUDNBSSA-N 268.282 3.644 30 20 CHED Cc1cc(C#N)ccc1COC(=O)/C=C/c1cccc(F)c1 748907000 SSNVUJWIVJKSSA-SOFGYWHQSA-N 295.313 3.762 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(F)cccc1-n1cccn1 758487993 VTXACAZKMIENBW-UHFFFAOYSA-N 299.349 3.718 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(CF)cc1 857607903 XEUKYQMKCAYLDI-UHFFFAOYSA-N 276.355 3.701 30 20 CHED C(CCCCOc1ccccc1)=NO[C@H]1CCCCO1 755823979 UUHRGCGSFJWVAK-INIZCTEOSA-N 277.364 3.765 30 20 CHED N#CCc1ccc(NC(=O)NC2(C3CCCCC3)CC2)cc1 929429217 YEURTAJULURRIW-UHFFFAOYSA-N 297.402 3.987 30 20 CHED CCCn1nccc1/C=C\C(=O)c1ccc(SC)cc1 853002180 IEZUUQHIYNSOEP-TWGQIWQCSA-N 286.400 3.911 30 20 CHED C#CC[C@H](NC(=O)c1cccc2c1CCC2)c1ccccc1 758006679 PDPBJHZLKCRSGK-IBGZPJMESA-N 289.378 3.670 30 20 CHED Fc1ccc(NN=C[C@@H]2CCC[C@H](C(F)(F)F)C2)nc1 853305129 PRTYETCPBNTEEE-ZJUUUORDSA-N 289.276 3.987 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@H](C)CC(C)(C)C#N)CC2 925373155 CJGNVAAPZPIZEW-CJNGLKHVSA-N 256.393 3.900 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1ccc(F)cc1O 757475049 GFWUUXRAXMVGJA-XBXARRHUSA-N 293.297 3.976 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc2ccc(C(C)C)cc2[nH]1 753428055 HGMYUIQSDXUOPG-ZDUSSCGKSA-N 270.332 3.750 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccoc1 755891172 XOGTVTMZMOQSFN-UHFFFAOYSA-N 279.683 3.677 30 20 CHED CC(CCC(C)C)=NNc1ccc(C(F)(F)F)nn1 754711180 UBONPSFOJDEEBH-UHFFFAOYSA-N 274.290 3.719 30 20 CHED COc1ccc2c(c1)CC(=NNc1cccc(C#N)c1)CC2 752724128 SYCPBRLBYUIOKA-UHFFFAOYSA-N 291.354 3.524 30 20 CHED C=CCc1ccc(OC(=O)CC2(C)CC2)c(OC)c1 757863329 BIZWWBXGKJAJIH-UHFFFAOYSA-N 260.333 3.519 30 20 CHED CCCCOc1ccc(C(=O)OCC2(C#N)CCC2)cc1 768096443 FZKMBXAGPUKCTL-UHFFFAOYSA-N 287.359 3.716 30 20 CHED CC(C)=CCCC(C)=NNCc1ccc(C#N)cc1 769820346 CTMQYCVXLUSCSG-UHFFFAOYSA-N 255.365 3.770 30 20 CHED CCC[C@@H](C(=O)OCc1cc(F)ccc1C#N)C(C)C 763849431 HMVHHHLAVWJEON-OAHLLOKOSA-N 277.339 3.813 30 20 CHED N#C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C1CC1 865343189 FUYMQMBSEPWBPC-NSHDSACASA-N 291.357 3.599 30 20 CHED C=CCC[C@@H](CC)Nc1ccc2c(c1)C[C@H](OC)C2 760885883 MNGFFJGDTHIEGR-NVXWUHKLSA-N 259.393 3.957 30 20 CHED COc1ccsc1/C=C1\Cc2ccc(F)cc2C1=O 764440929 CZASXUHFEGCOGZ-JXMROGBWSA-N 274.316 3.718 30 20 CHED Cc1ccc(C=NNc2cc(C#N)cc(Cl)n2)c(C)c1 768381567 JIAVKIFXUUMAAA-UHFFFAOYSA-N 284.750 3.670 30 20 CHED C=CC[C@H]1N(C(=O)C2(F)CCCC2)CCCC1(C)C 767228033 KDMBFZVDGCWRLR-CYBMUJFWSA-N 267.388 3.862 30 20 CHED N#Cc1ccc(C2=CCN(CCc3cccs3)CC2)cc1 767733121 XXOJPCPXBSCLOU-UHFFFAOYSA-N 294.423 3.952 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(-c2ccc(F)cc2)cc1F 767253652 DMHXXKBOYOCUCA-LBPRGKRZSA-N 299.320 3.726 30 20 CHED CCCCCCCc1nc(-c2cccc(C)n2)no1 761776229 NUWNQOPDEUEMLN-UHFFFAOYSA-N 259.353 3.953 30 20 CHED CC(C)C(=NNc1ccnc(Br)c1)C1CC1 769804770 WDZUHDVSQZECNB-UHFFFAOYSA-N 282.185 3.678 30 20 CHED C=CCC(CC=C)C(=O)O[C@H]1CCOc2cc(F)ccc21 766298148 BHOUGZHPEBLYQM-HNNXBMFYSA-N 290.334 3.961 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1c1cccc(CC#N)n1 1116636609 QWNVOCKVUTULGO-HIFRSBDPSA-N 257.381 3.553 30 20 CHED C#CCCCNc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C 766727202 ZIAQPKKCRUALGA-OAHLLOKOSA-N 298.430 3.692 30 20 CHED CCOc1ccccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 764605586 ICSLSTXYDHGROM-ZDUSSCGKSA-N 295.338 3.875 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccsc1 131763620 RNFBUHBVEABQNW-VIFPVBQESA-N 273.317 3.701 30 20 CHED CS[C@H]1C[C@@H](OC(=O)C[C@H](CC#N)c2ccccc2)C1 870579374 HBPJLQQPBYSFTJ-SOUVJXGZSA-N 289.400 3.511 30 20 CHED C=CCCOCCCCC(=O)Oc1ccc(C)cc1C 775644990 ZLUBAGWVCZVMOK-UHFFFAOYSA-N 276.376 3.972 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 770279349 KUDWATVCTOPLFC-MRVPVSSYSA-N 285.174 3.787 30 20 CHED C#CCCCCCC(=O)N[C@H](c1nc(C)cs1)C1CC1 779968323 ZAIHXLYMGUJZQY-HNNXBMFYSA-N 290.432 3.603 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCO[C@H](C)C1 770231204 XWYBAYNSXCWCAP-HUUCEWRRSA-N 269.429 3.811 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1cccnc1N(C)C)C2=O 1117349956 FFSJATXUZDQODA-XDUBLRSXSA-N 292.382 3.839 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Oc2ccc(C#N)cc2)cc1 779193961 IOANXGNCNPLDSH-AWEZNQCLSA-N 279.339 3.651 30 20 CHED CC(C)(CC(=O)N[C@H](C#N)C1CCCC1)c1ccccc1 1119505298 BBISKALXYSDAQH-MRXNPFEDSA-N 284.403 3.553 30 20 CHED C=CCCC[C@H](C)NC1CCN(C(=O)OCC(C)C)CC1 776692399 CFWBMCNICWBXBO-HNNXBMFYSA-N 296.455 3.578 30 20 CHED C#CCCCCC(=O)N[C@](C)(CC)c1ccccc1 773340325 LGZBZHZAJGQHRK-QGZVFWFLSA-N 257.377 3.622 30 20 CHED Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 772959775 NMFZOFDPHBKHHN-HUUCEWRRSA-N 295.386 3.704 30 20 CHED C#CCOc1cc(F)ccc1N[C@@H](C)C1CCSCC1 779046219 SBVILVMNDVSIGB-LBPRGKRZSA-N 293.407 3.781 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1sc2c(c1C#N)CCC2 779717424 AYBMQXBUQIRCGC-KTKRTIGZSA-N 274.389 3.793 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cnn(-c2ccccc2)c1C 773007427 FZSIEMLLYMNUBF-KGLIPLIRSA-N 269.392 3.796 30 20 CHED C#CC[C@H](N[C@@H](C)c1cncc(F)c1)c1ccccc1 773104594 FDISYWRYOCDHEU-GUYCJALGSA-N 268.335 3.636 30 20 CHED N#C[C@@H](OC(=O)Cc1cc(F)ccc1F)C1CCCCC1 776391141 LKWVTPBMZYZGLX-OAHLLOKOSA-N 293.313 3.523 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCO[C@@H](C)C1 776783298 SRBHCSMHWPVKLD-LBPRGKRZSA-N 269.348 3.510 30 20 CHED C#CCCCCCC(=O)N1CCCc2ccc(F)cc21 779849933 KVJBKRZJSDAFRL-UHFFFAOYSA-N 273.351 3.689 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]1C1CCCCC1 779920450 JIIZETIDYWMWAS-JKSUJKDBSA-N 261.409 3.655 30 20 CHED N#Cc1ccc(CNC2CCC3(CCCCC3)CC2)nc1 786152364 SMNOFLNFAPLMCT-UHFFFAOYSA-N 283.419 3.936 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc(Cl)cc2F)c1 782531943 WKVOOLXOJQQRBO-UHFFFAOYSA-N 292.716 3.780 30 20 CHED C#CCCCCNC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 787283353 PCBATOVZXLNPNW-FUHWJXTLSA-N 298.430 3.686 30 20 CHED Cc1ccc(C=NOCCCCOC(C)(C)C)cc1 788785102 QDAVBRRVEFKFKH-UHFFFAOYSA-N 263.381 3.941 30 20 CHED C=CC(C)(C)Cc1nc(Cc2ccc3ccccc3n2)no1 896010787 RGEVHCAQLBWUOK-UHFFFAOYSA-N 293.370 3.963 30 20 CHED Fc1cc(NN=Cc2ccccc2OC(F)(F)F)ccn1 781133768 HRFWPNHMJATMAP-UHFFFAOYSA-N 299.227 3.565 30 20 CHED CC#CC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 788290939 QENJKTJOPQHUOJ-UHFFFAOYSA-N 269.275 3.580 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(C#N)cc2F)cnn1C(C)C 787186547 KQUVDGIENFWLIE-SREVYHEPSA-N 297.333 3.679 30 20 CHED N#C[C@]1(F)CCN(Cc2ccccc2-c2ccccc2)C1 786578138 ATSOYYBZEIBLDX-GOSISDBHSA-N 280.346 3.791 30 20 CHED CCCCCC[C@@H](CC)C(=O)NCc1ccc(C#N)cn1 782028778 IJYAYIMLXYZWGY-OAHLLOKOSA-N 287.407 3.566 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccnc1Cl 787028161 UQPMSQMNXLGBRE-BDJLRTHQSA-N 297.789 3.945 30 20 CHED N#C[C@@H]1CCCN(Cc2cccc(Oc3ccccn3)c2)C1 896502651 YQXQJOZHSNGSKX-INIZCTEOSA-N 293.370 3.609 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NO[C@H]2CCCCO2)C1 799111958 ODZBJTYZQGMWDF-ZBFHGGJFSA-N 288.391 3.947 30 20 CHED CCCOc1ccc(C=NNc2ncccc2C)cc1OC 790193556 HQPQDQCCYLGWRU-UHFFFAOYSA-N 299.374 3.633 30 20 CHED N#Cc1nn(Cc2ccc(Cl)cc2)c2ccccc12 169340526 LZSHJNODQMYZMN-UHFFFAOYSA-N 267.719 3.610 30 20 CHED Cc1nsc(N(C)C(=O)CCCC2CCCC2)c1C#N 891430061 AHUTYRFPMRRVDB-UHFFFAOYSA-N 291.420 3.647 30 20 CHED CC(C)(F)CCNc1ccc(C#N)c(Br)c1 700567556 HEXODLNCSZQVSE-UHFFFAOYSA-N 285.160 3.871 30 20 CHED COc1ccccc1CON=C(C)c1cc(C)oc1C 799117881 QTQFUUDPMIPPKQ-UHFFFAOYSA-N 273.332 3.846 30 20 CHED CC(C)(C#N)OC(=O)c1cc2c(s1)CCCCCC2 794242447 GAXFTOQOLLNXAH-UHFFFAOYSA-N 277.389 3.866 30 20 CHED Cc1cc(C)c(CNc2cc(C)nc(C#N)c2)c(C)c1 553362102 DNOMFGUEIFRIRQ-UHFFFAOYSA-N 265.360 3.799 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1CCC[C@H](O)C1 793530609 BMWZZCIATLYKEH-XHSDSOJGSA-N 253.430 3.652 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 791201283 XPVCJYLITWYHMO-VXGBXAGGSA-N 297.320 3.727 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1ccc(C)cc1C 796463612 WDPJCSSZBSAEOH-UHFFFAOYSA-N 274.360 3.632 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1c(F)ccc(O)c1F)C2=O 794935762 UCCQYVFRTQRFIS-FLIBITNWSA-N 286.277 3.801 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 88298790 OAOUGVSNRMNPSE-MNOVXSKESA-N 261.325 3.703 30 20 CHED Cc1cscc1CN[C@H](C)c1ccc(OCC#N)cc1 94877938 FNSLZTOLRQUMNO-CYBMUJFWSA-N 286.400 3.810 30 20 CHED N#CCC1(CN(Cc2ccc(F)cc2)CC2CC2)CC1 1307474521 CUECGCVENVSTTM-UHFFFAOYSA-N 272.367 3.732 30 20 CHED CCc1cc2c(NCC3(CC#N)CC3)nc(C)nc2s1 1307110132 PMJMFOFAKQNLLX-UHFFFAOYSA-N 286.404 3.668 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(OC(C)C)c(C)c2)n1 1306972108 OKJRLIROBQLWBG-UHFFFAOYSA-N 296.374 3.750 30 20 CHED COc1cccc2cc(C/N=C/c3ccccc3O)oc12 1318270893 VKCCZZBCLCKYAZ-VCHYOVAHSA-N 281.311 3.766 30 20 CHED CC[C@H]1CCCN(c2c(Br)cccc2C#N)C1 1611783624 XOBGKGXYRPAVLA-NSHDSACASA-N 293.208 3.947 30 20 CHED CC1CCC(N(C(=O)c2csc(C#N)c2)C2CC2)CC1 1326419104 ZVHRSSSNIIKOBS-UHFFFAOYSA-N 288.416 3.803 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCC3)Cc2ccccc21 1322088369 HFCSLVCMRXGNLO-GZTJUZNOSA-N 260.336 3.998 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC[C@@H](SC)C2)CCCC1 1324702503 LGVKIHBTMOPCMQ-CHWSQXEVSA-N 267.438 3.523 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1nc(C)cs1 1321234955 DZRGYDNZHWGFOL-UHFFFAOYSA-N 286.400 3.670 30 20 CHED CC[C@@H](C)c1nnc(-c2ccc(C#N)c(Cl)c2)o1 1326109368 FYRZUNOPPRLGSX-MRVPVSSYSA-N 261.712 3.775 30 20 CHED CCC[C@@H](C(=O)Nc1cnc(Cl)cc1C#N)C(C)C 1337568566 YBVIDWDYHFFAKG-LLVKDONJSA-N 279.771 3.617 30 20 CHED C=CCC1(C(=O)N(CC)Cc2ccccc2F)CCC1 1338972739 MVUIEFVFOHWJIC-UHFFFAOYSA-N 275.367 3.921 30 20 CHED Cc1cc(C)cc(CNc2snc(Cl)c2C#N)c1 1187123514 KMCFPIHLMYUYDW-UHFFFAOYSA-N 277.780 3.897 30 20 CHED N#C[C@@H](NC(=O)Cc1csc2ccccc12)C1CCCC1 1331538517 ACGQFQNNMJQKFC-OAHLLOKOSA-N 298.411 3.642 30 20 CHED Cc1cccc(N(CC(C)(C)C)C(=O)c2ccc(C#N)o2)n1 1331829332 VQFWKPOYPVPHND-UHFFFAOYSA-N 297.358 3.548 30 20 CHED C=C[C@H](COC)NCc1cc(C(F)(F)F)ccc1Cl 1338094770 RLQUVIMEIWNBJW-LLVKDONJSA-N 293.716 3.649 30 20 CHED C=CCCCCOC(=O)[C@@H](C)OC1CCCCC1 1344531481 FRYRDOKNBMGIJL-CYBMUJFWSA-N 254.370 3.624 30 20 CHED C=C[C@H](C)NC(=O)Nc1c(C)cc(Cl)cc1C 1341097224 BZTRMXHPIDIHKI-JTQLQIEISA-N 252.745 3.653 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)c1cccc(F)n1 1342643685 UHHHJGHIBPOIBP-GFCCVEGCSA-N 293.301 3.501 30 20 CHED C=CCC(CC=C)C(=O)N=[S@](C)(=O)c1ccccc1F 1514952751 NJFPTHKSAWOORJ-HXUWFJFHSA-N 295.379 3.577 30 20 CHED N#Cc1ccc(NC[C@@H]2CCSC2)cc1C(F)(F)F 224436584 DZYWJVFNMHPLCT-VIFPVBQESA-N 286.322 3.742 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 1529198844 ULFLCLIATDZPQJ-WBVHZDCISA-N 298.430 3.969 30 20 CHED O=C(O)c1ccc(F)c(N=Cc2cc(Cl)ccc2O)c1 1602364423 FDGUYQVSBIGNOU-UHFFFAOYSA-N 293.681 3.634 30 20 CHED CCc1ccc2c(c1)CCN2c1cccc(F)c1C#N 1472900626 UGHRAHHIOYBHAO-UHFFFAOYSA-N 266.319 3.954 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(-n2cccn2)ccc1C 1548691713 PXCFSYSRJVGWCI-UHFFFAOYSA-N 283.375 3.722 30 20 CHED CC1(C)C(C(=O)Nc2cc(C#N)c3ccccc3n2)C1(C)C 1544218546 DPGAUMAPSJITNV-UHFFFAOYSA-N 293.370 3.727 30 20 CHED CC1CC(C#N)(C(=O)NCC[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 1626528813 TXGZBMFAFDHVAR-XYSPPFBYSA-N 290.451 3.895 30 20 CHED Cc1nnc(SC[C@@H]2CCCC[C@H]2C)c(C#N)c1C 1559358151 ZPDLUBSKNPIHIL-MFKMUULPSA-N 275.421 3.884 30 20 CHED Cc1cc(F)ccc1CN1CCCc2cc(C#N)ccc21 1559868849 BZESLMVWQAQPQD-UHFFFAOYSA-N 280.346 3.959 30 20 CHED Cc1nc(S[C@@H]2CCOc3ccccc32)ccc1C#N 1639614753 WWDQWVQBQFZKID-OAHLLOKOSA-N 282.368 3.878 30 20 CHED Cc1cc(C#N)nc(NC[C@H]2CCCC[C@@H]2C(C)(C)C)n1 1642182957 IUOCDQYPBFGKHC-HIFRSBDPSA-N 286.423 3.921 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCC(C)(C)C 1776782371 LYUBCBGTUSDKBI-CYBMUJFWSA-N 257.418 3.826 30 20 CHED Cc1cccc(Cl)c1NN=Cc1csc(C(=O)O)c1 1776060590 CLUFDSGLPCZSOX-UHFFFAOYSA-N 294.763 3.854 30 20 CHED C=C(Cl)C[C@H](NCc1cccc2ccccc12)C(=O)O 1776143452 SNJBLTYDVFLFCL-HNNXBMFYSA-N 289.762 3.525 30 20 CHED CCc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 5868098 VBHNPMSYAHEEHK-ZDUSSCGKSA-N 294.354 3.527 30 20 CHED CCOc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 18055636 KXFJAEZNYBCWLD-UHFFFAOYSA-N 284.271 3.657 30 20 CHED CCCC[C@@H](CC)CC(=O)Nc1nn(C(C)C)cc1C#N 161101449 ZSTIQTZTVONFKK-CYBMUJFWSA-N 290.411 3.881 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccnc1-c1ccccc1 158567537 WZRLRWKYDZAMRJ-CQSZACIVSA-N 294.358 3.562 30 20 CHED C[C@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(C#N)cc1 151782128 BUQCRFJNUTWBJU-NEPJUHHUSA-N 284.384 3.601 30 20 CHED C=CCCSCc1noc(-c2cccs2)n1 151948162 DKNMFIMCHKNWNW-UHFFFAOYSA-N 252.364 3.607 30 20 CHED N#Cc1ccc(OC(=O)c2cccc(F)c2Cl)c(F)c1 157999694 KUMCIRWCKYMZAO-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C=CCC[C@@H](NC(=O)CC1(O)CCCC1)c1ccccc1 154462788 CLHBDWSBKRLTMO-MRXNPFEDSA-N 287.403 3.505 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc(C)n1)c1ccccc1 154468801 YIURELURXWDVQS-AWEZNQCLSA-N 266.344 3.688 30 20 CHED Cc1nc(C#N)cc(Nc2ccc(C(C)C)cc2)n1 258873895 DGKAPQHKEOELDW-UHFFFAOYSA-N 252.321 3.524 30 20 CHED N#Cc1sc(N2CC[C@@H]2c2ccccc2)nc1Cl 804358904 WWMXOJNDVYLHPN-SNVBAGLBSA-N 275.764 3.620 30 20 CHED C#Cc1cccc(CN[C@H](CC)c2ccsc2)c1 834904150 VQDAPJWEURMPFL-MRXNPFEDSA-N 255.386 3.970 30 20 CHED C[C@H](Cc1ccccc1Cl)NCc1cccc(C#N)c1 36936253 PXNRXMNUTYPNBG-CYBMUJFWSA-N 284.790 3.932 30 20 CHED CC(C)(CNc1ccc(C#N)cc1)c1ccccc1 37863601 NVVNFNRBEWWXOF-UHFFFAOYSA-N 250.345 3.948 30 20 CHED C=CCSCc1ccc(I)cc1 308013929 QNEXVMOXVUWAJS-UHFFFAOYSA-N 290.169 3.710 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(OC)c(OC)c1 281582241 LCWQDDGROZDCHR-TZMCWYRMSA-N 263.381 3.709 30 20 CHED C=CCC[C@@H](C)NCc1ccnc(C(F)(F)F)c1 295036654 MFOQDGVYCFATIA-SNVBAGLBSA-N 258.287 3.545 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1Nc1ccc(C#N)cn1 301851095 BDVHCEOCYNFRFH-PXAZEXFGSA-N 263.344 3.689 30 20 CHED C=C(C)CCN[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 400692892 ZNLJIGFMMDTAGR-AWEZNQCLSA-N 296.455 3.578 30 20 CHED C=C(C)CCN(CC)[C@@H]1CCN(Cc2ccccc2)C1 509620187 SNSRMLYRXRZLSO-GOSISDBHSA-N 272.436 3.549 30 20 CHED COC1(CCOc2ccc(C#N)c(Cl)c2)CCC1 311044203 HBWJBJODANARAT-UHFFFAOYSA-N 265.740 3.550 30 20 CHED C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C)C1 77227004 PLCXEMHKMRQJLM-NXEZZACHSA-N 283.297 3.597 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc2c(c1)OCCO2 312556198 OMQWGWIWMPXDJT-CYBMUJFWSA-N 275.392 3.711 30 20 CHED Cc1nc(NCc2ccc(F)c(F)c2)c(Cl)cc1C#N 313196279 XWPDHNMMXUOPRB-UHFFFAOYSA-N 293.704 3.805 30 20 CHED N#CCc1cccc(NCc2ccc3[nH]ccc3c2)c1 313413446 VSVJKQNAEAGRAC-UHFFFAOYSA-N 261.328 3.846 30 20 CHED CC[C@@H](CNc1ncc(C#N)cc1Cl)CC(F)(F)F 413517656 HPQUOARBTYMURX-MRVPVSSYSA-N 291.704 3.997 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@H](C)CCC=C(C)C 521627468 ZPXYATOEAVUJOP-KGLIPLIRSA-N 250.386 3.567 30 20 CHED N#Cc1ccc(CN[C@H]2CCC23CCCC3)cc1F 451462696 VZBPEDLCXZBMOW-HNNXBMFYSA-N 258.340 3.510 30 20 CHED CO[C@H](CNc1ccc(C(F)(F)F)c(C#N)c1)C(C)C 361702218 PQIGNKGAXSJGGD-CYBMUJFWSA-N 286.297 3.660 30 20 CHED C[C@H](CC1CCCC1)NCc1ccc(C#N)c(F)c1 709763468 BZPFBXFPKFWEQP-GFCCVEGCSA-N 260.356 3.756 30 20 CHED CC(C)c1ccc(CN2CCC[C@@H](CC#N)C2)cc1 397741801 NDXOOHVRZDVLBK-HNNXBMFYSA-N 256.393 3.936 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1ccc(CC#N)cc1 399269248 SYFPALAIQJOSJA-KRWDZBQOSA-N 256.393 3.763 30 20 CHED C=CCOc1cc(C)ccc1NC(=O)OC(C)(C)C 754779297 UFGDVCXJDSXBDX-UHFFFAOYSA-N 263.337 3.907 30 20 CHED C=C(Cl)CN(C)[C@@H]1CCCc2nc(CC)sc21 133412249 ARNXTNNFTJJCLM-LLVKDONJSA-N 270.829 3.767 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc(Cl)cc1F 343020776 YEOXAUTVZHPFSA-UHFFFAOYSA-N 296.773 3.881 30 20 CHED CCOc1ccc(CNc2ccc(C#N)cc2)cc1OC 20091263 LWFIRNVBQGXJLX-UHFFFAOYSA-N 282.343 3.578 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1C 59270135 PTZSZSCWLCCOIP-SOFGYWHQSA-N 277.323 3.771 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CCCC(C)(C)C)C1 116813273 YMHKOBZVAWYDGZ-XJKSGUPXSA-N 264.413 3.791 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](CCC(=O)O)C1 105714544 WOAOSVFWRVSOQQ-HNNXBMFYSA-N 297.439 3.840 30 20 CHED Cc1cc(F)ccc1NC(=O)/C=C/c1ccccc1C#N 26775009 QXWLVTKXQOONSU-RMKNXTFCSA-N 280.302 3.658 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H](C)C1 113400724 PTUUZFDENAPGRA-CPUCHLNUSA-N 299.418 3.524 30 20 CHED C=CCOc1ccc(C(=O)N(C)CC2CCCCC2)cc1 105883014 SDGOOWACNMAANJ-UHFFFAOYSA-N 287.403 3.904 30 20 CHED C=CCNC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 56714945 OYDLNVWSLIHIKD-UHFFFAOYSA-N 298.342 3.795 30 20 CHED CN(CCC#N)C(=O)CC(c1ccccc1)c1ccccc1 57605931 BLFDBMLQMSNEAH-UHFFFAOYSA-N 292.382 3.581 30 20 CHED CCC(CC)c1cc(CNCC(C)(C)CCC#N)on1 174547460 GWZLWIUXSSYCMJ-UHFFFAOYSA-N 277.412 3.998 30 20 CHED CC1(C)CCC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 179376342 IRZNOLGWVMGFCT-STQMWFEESA-N 295.386 3.956 30 20 CHED C#CCCCCC(=O)NCCOc1cccc2ccccc12 119657345 KEOFHNFSVPLOCX-UHFFFAOYSA-N 295.382 3.528 30 20 CHED CC(C)(C)SCCOc1cc(F)cc(C#N)c1 310360798 SUEBVNSYJOIIJM-UHFFFAOYSA-N 253.342 3.608 30 20 CHED COCc1ccccc1NCc1ccc(O[C@H](C)C#N)cc1 119439560 BZVZWYHCNYMJQW-CQSZACIVSA-N 296.370 3.736 30 20 CHED CCCN(Cc1ccccc1O)c1cccc(F)c1C#N 301785894 VDQJOGZYFKEKSJ-UHFFFAOYSA-N 284.334 3.820 30 20 CHED C=CCC[C@H](CCC)NC[C@@H](C)Cn1ccnc1C 178708020 KOPSTGFZYZUJFW-ZBFHGGJFSA-N 263.429 3.552 30 20 CHED CC(C)Oc1ccc(OCc2ccc(C#N)cc2)cc1 303724777 WZIBYAJHHOTXJM-UHFFFAOYSA-N 267.328 3.924 30 20 CHED CCCCC(=O)Oc1c(Cl)cc(C#N)cc1OCC 60440691 HJEPXBSJIQAZPB-UHFFFAOYSA-N 281.739 3.706 30 20 CHED N#Cc1cccc(OCCOc2ccc3ncccc3c2)c1 181607263 ZKRHCTHMSQAPHF-UHFFFAOYSA-N 290.322 3.564 30 20 CHED C=CCN(Cc1cccs1)C[C@@H](O)c1ccc(F)cc1 66348937 MJFXOXBUDANFKD-MRXNPFEDSA-N 291.391 3.609 30 20 CHED C#CCCCNC(=O)Nc1ccc(-c2nc(C)cs2)cc1 175898780 GSWYDEGCWRLTAE-UHFFFAOYSA-N 299.399 3.653 30 20 CHED Cc1ccc(C/N=C(/N)Nc2cccc3c2CCCC3)s1 304705716 WVSNNHVFHRAJHW-UHFFFAOYSA-N 299.443 3.862 30 20 CHED CC(C)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 68455544 OGVVIVZOTRAWPQ-GFCCVEGCSA-N 285.174 3.720 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCCCCc1cccs1 67145981 ILHAXWWYHMIXGE-AWEZNQCLSA-N 292.448 3.859 30 20 CHED CC(C)(C)c1nccc(Oc2cccc(F)c2C#N)n1 301814936 CXGDYEBVTFKJCP-UHFFFAOYSA-N 271.295 3.577 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1csc(C(C)C)n1 178390050 PNJLXYWJPJUKEX-UHFFFAOYSA-N 285.372 3.699 30 20 CHED Cc1[nH]c2ccccc2c1CCNCc1cc(C#N)cs1 177694789 XYXKFJCRIVLIAM-UHFFFAOYSA-N 295.411 3.742 30 20 CHED C=CCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 125121722 GGGOXYLGZBYEDB-UHFFFAOYSA-N 260.120 3.604 30 20 CHED Cc1ccc2oc(C(=O)N[C@H](C#N)C3CCCCC3)cc2c1 120140698 OQEACVIAOUCLDN-OAHLLOKOSA-N 296.370 3.944 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)C(=O)CCC3)cc1 175158820 QWHGHYKQSUGQIL-UHFFFAOYSA-N 276.339 3.689 30 20 CHED N#Cc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1Cl 36166144 RRZNHNISXGGYEH-UHFFFAOYSA-N 295.729 3.945 30 20 CHED N#Cc1ccc(Cl)cc1NCCC[C@H]1CCCCO1 302238653 WURSCKRQWMAULE-CQSZACIVSA-N 278.783 3.973 30 20 CHED CC(C)CC[C@H]1CCCCN1c1ccc(C#N)cn1 301680688 UYCFGIVLRNMVHG-OAHLLOKOSA-N 257.381 3.748 30 20 CHED Cc1ccc(CCCC(=O)NCC#Cc2ccccc2)s1 79388555 GIRJUIJPOVOUIT-UHFFFAOYSA-N 297.423 3.547 30 20 CHED C=CCC[C@H](NC(=O)OCC1CC1)c1ccccc1 189748739 MJMBPKKUOIHHTH-HNNXBMFYSA-N 259.349 3.830 30 20 CHED C[C@H](SCc1ccc(Cl)cc1C#N)c1cnccn1 184839538 SEVWLEZWSWWUTA-JTQLQIEISA-N 289.791 3.996 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1cc2ccccc2s1 187231925 HRUCZKUGXFOOMX-BQYQJAHWSA-N 282.368 3.839 30 20 CHED Cc1cc(C)c(C[S@@](=O)CCCCC#N)c(C)c1 78716707 QOIZGABMZJGPNJ-GOSISDBHSA-N 263.406 3.554 30 20 CHED CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H](C)C(C)C 74917259 IZXIWTAEZNMYKQ-KBPBESRZSA-N 287.407 3.695 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCC(F)(F)C2)s1 281959261 JFCVWJNZBLGROK-JTQLQIEISA-N 270.348 3.535 30 20 CHED Cc1ccc2c(C(=O)NCC3(C#N)CCC3)csc2c1 416343981 AGXQKLMAWFRNBC-UHFFFAOYSA-N 284.384 3.633 30 20 CHED C[C@H](CC(=O)OCC1(C#N)CCC1)c1ccccc1F 183865323 FNCZWQGGVBTZKP-GFCCVEGCSA-N 275.323 3.556 30 20 CHED C#CCCOc1ccc(CNc2nc3ccccc3o2)cc1 181501774 XULUXPDBQIRYMW-UHFFFAOYSA-N 292.338 3.842 30 20 CHED N#Cc1sc(NCCCOc2ccccc2)nc1Cl 236076129 VXNMUIOVQRXUII-UHFFFAOYSA-N 293.779 3.549 30 20 CHED Cc1ccc(C)c(NC(=O)/C=C\c2ccccc2C#N)c1 213184130 AJAFDOCRKROIHB-KTKRTIGZSA-N 276.339 3.827 30 20 CHED N#CCCCCNCc1ccc(Oc2ccccc2)o1 180867346 VVHCJCMHSKGXFG-UHFFFAOYSA-N 270.332 3.855 30 20 CHED CO[C@@](C)(C1CC1)[C@@H](C)NCCC1(C#N)CCCCC1 411979504 ZYQRMYIUHUGOHH-GDBMZVCRSA-N 278.440 3.644 30 20 CHED CNc1ccccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 315440984 ZEWZYTFIAIMZDQ-UHFFFAOYSA-N 293.370 3.782 30 20 CHED C[C@H](Nc1ccnc(C#N)c1)c1ccccc1Cl 60537892 FDEXHOFNMGMSAM-JTQLQIEISA-N 257.724 3.780 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N[C@](C)(C#N)CCc1ccccc1 181068799 NSWVREAORLKGFU-VKJFTORMSA-N 286.419 3.700 30 20 CHED C#C[C@@H](NC(=O)C1(C(F)(F)F)CCCCC1)C(C)(C)C 854480099 PZFHNVWXHQYKBX-LLVKDONJSA-N 289.341 3.663 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 183262776 IWMNCGSKIORFQE-VXGBXAGGSA-N 275.396 3.735 30 20 CHED Cc1ccccc1-c1csc(NC(=O)C(C)(C)C#N)n1 71972760 OOIFQALCXNGXPT-UHFFFAOYSA-N 285.372 3.607 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccccc2n1CC 410119915 FIJXJVWMDOYVRN-AWEZNQCLSA-N 270.376 3.746 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(C(F)(F)F)c1 181495713 VHOXDRFOJZZCQB-UHFFFAOYSA-N 272.270 3.745 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1Cl 521827014 WOUTZUZYYVLOOQ-KWBADKCTSA-N 274.751 3.586 30 20 CHED CC#CCCCC(=O)N1CCC[C@H](c2ccccc2)CC1 185439968 GRAUQNGOWPQJCA-SFHVURJKSA-N 283.415 3.976 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccncc1F 184150443 APYDCWQCWVSUHH-UHFFFAOYSA-N 291.370 3.821 30 20 CHED CC#CCCCC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@H]1C 410362204 UEDRTRHCXVOOBM-DYVFJYSZSA-N 289.806 3.885 30 20 CHED CC(C)(CC#N)CN[C@H]1CCCOc2cc(F)ccc21 414166366 NMFBHEKOZRIMHC-AWEZNQCLSA-N 276.355 3.569 30 20 CHED OC(=Nc1ncn(C2CCCCC2)n1)[C@@H]1CCCCS1 329559986 MCRNVQPOLJICKS-LBPRGKRZSA-N 294.424 3.657 30 20 CHED CCCOc1ccc(NC(=O)c2ccc(C#N)s2)cc1 508501298 YSBOTVFAGQEXOT-UHFFFAOYSA-N 286.356 3.661 30 20 CHED CC(C)(C#N)c1ccccc1COc1cccc(C#N)c1 133867176 SVMMQZNRVNFZER-UHFFFAOYSA-N 276.339 3.938 30 20 CHED CCCOc1ccc(CN(CC#N)CCC)cc1OCC 46781667 MURQHGXFDXUSFI-UHFFFAOYSA-N 290.407 3.610 30 20 CHED N#CCCC[S@](=O)Cc1ccc(Cl)cc1Cl 190730538 FPWOMYARPXBQAU-INIZCTEOSA-N 276.188 3.546 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CCCc2c(O)cccc21 190991422 UVSMWZRNCYYOJA-BBRMVZONSA-N 287.403 3.673 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccc(-c2ccccc2)o1 193585661 GLUMQMYUCXEUKB-CSKARUKUSA-N 292.338 3.885 30 20 CHED CCO[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 80744772 JZGVJCBABUKMRD-JTQLQIEISA-N 258.346 3.779 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1 135087232 NEJPICFZNJWAAR-KRWDZBQOSA-N 299.374 3.840 30 20 CHED Cc1nnccc1N=C(O)[C@H]1CCC[C@H](C(F)(F)F)C1 329459099 RHEIPXNUGJLPBY-UWVGGRQHSA-N 287.285 3.742 30 20 CHED O=C(O)c1ccccc1NN=C1CCCCCCC1 46568688 DBNYRSIWWNJYIE-UHFFFAOYSA-N 260.337 3.897 30 20 CHED Cc1nnc(CSC/C(O)=N/[C@@H]2CCCC[C@@H]2C)s1 329136057 COGBQDWHCORLRD-GXSJLCMTSA-N 299.465 3.615 30 20 CHED COc1ccc(CN[C@@H](C)c2cc(C)oc2C)cc1C#N 87824076 TWGJVNARCKZXKG-LBPRGKRZSA-N 284.359 3.628 30 20 CHED C[C@H](/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)[C@H]1CCCCO1 329956754 LKOKVNKAWVDDPC-PWNZVWSESA-N 295.423 3.542 30 20 CHED C=CCCC(=O)Nc1ccc(C(F)(F)F)c(OC)c1 426920568 IANAVMSYTAJUAY-UHFFFAOYSA-N 273.254 3.619 30 20 CHED CC[C@@H](CSc1ccccc1)NCc1cc(C#N)n(C)c1 191472012 SGINARZKSFUUPL-HNNXBMFYSA-N 299.443 3.557 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)c(C)s1 41543970 LVUOVXLFCMYJMV-LBPRGKRZSA-N 296.351 3.996 30 20 CHED C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1cccs1 192471915 HTAFSVZUUGKYAA-SECBINFHSA-N 289.335 3.642 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1C[C@H]1C1CCC1 425623505 PVYNZWQBSBGCFQ-LSDHHAIUSA-N 264.413 3.563 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2ncsc2c1 195229170 CZXSPWPNKCRCOJ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)cc1)CO2 130776464 OUXXQNHMPFZDLU-CXAGYDPISA-N 278.355 3.651 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(C)c(C)n2)no1 420510010 HDKABYIRDGCNOI-UHFFFAOYSA-N 257.337 3.602 30 20 CHED Cc1c(NC(=O)C[C@@H]2CCC[C@@H](C)C2)ccc(C#N)c1C#N 421560299 QHWLMFOBWKEACH-TZMCWYRMSA-N 295.386 3.893 30 20 CHED CC[C@@H]1CCCN1/C(O)=N/[C@@H](CCC#N)c1ccccc1 331251488 PFPRBLUCAZNQEY-CVEARBPZSA-N 285.391 3.820 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCCC2(CCCCCC2)C1 513628219 GRSFIONLUVBMRD-INIZCTEOSA-N 276.424 3.889 30 20 CHED N#CCc1ccccc1NC(=O)c1csc(Cl)c1 335133699 PXLLMMTTWDCHFZ-UHFFFAOYSA-N 276.748 3.720 30 20 CHED C[C@H](C(=O)N1CCC(CC#N)CC1)c1cc2ccccc2o1 334345619 UZVVZSNNCQDMBD-ZDUSSCGKSA-N 296.370 3.689 30 20 CHED CC(C)N(C)c1ccc(/C=C/C(=O)c2cccc(F)c2)cn1 191206400 GQIQKOLSNJXQQP-VQHVLOKHSA-N 298.361 3.961 30 20 CHED Cc1ccc(CNc2nc(C)cc(C)c2C#N)c(C)c1 97476861 KYSYCAHSHISGAQ-UHFFFAOYSA-N 265.360 3.799 30 20 CHED Cc1nc(/C(O)=N/[C@@H](C)C(C)(C)c2ccccc2)c(C)o1 330469617 LQFWGQIHWCLNED-LBPRGKRZSA-N 286.375 3.962 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(F)cc(C(F)(F)F)c1 93090888 JEYHXDVHYCPAIV-VIFPVBQESA-N 274.261 3.578 30 20 CHED CCCN(CC#N)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 92891484 PODWGZAQAJBGNH-CYBMUJFWSA-N 292.810 3.671 30 20 CHED C[C@@H]1CCC[C@H](CN(CCC#N)Cc2cccnc2)C1 179360256 IGUBHGRGDVNPPZ-CVEARBPZSA-N 271.408 3.624 30 20 CHED Cc1ccncc1CN[C@H]1CCCCc2cc(C#N)ccc21 334667638 LXKFJVMVMZRYOQ-IBGZPJMESA-N 291.398 3.819 30 20 CHED CC(=O)c1ccccc1NC(=O)c1cc(C#N)ccc1Cl 336133920 PHDNRKMFMPAVHE-UHFFFAOYSA-N 298.729 3.667 30 20 CHED Fc1ccc(C#CCNc2c(F)cccc2F)cc1 433435387 SVQCVTQCKJZQPK-UHFFFAOYSA-N 261.246 3.568 30 20 CHED CC[C@@H](CNCc1ccc(C#N)cc1)Oc1cccc(F)c1 236987003 ZYSFUZCKCLQSQM-KRWDZBQOSA-N 298.361 3.645 30 20 CHED Cc1ccc2oc(C(=O)N3CCC(CCC#N)CC3)cc2c1 335385253 VTMHOFRKUCTALR-UHFFFAOYSA-N 296.370 3.897 30 20 CHED C[C@@H]1CCN([C@@H](C(=N)O)c2ccc(C#N)cc2)CC12CCC2 335946970 CJYNTXWPZOURML-CZUORRHYSA-N 297.402 3.647 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 90398210 JAPQAVRYMADJQB-HNNXBMFYSA-N 281.403 3.635 30 20 CHED Cc1nsc(NCc2cccc(Cl)c2)c1C#N 92912343 JZOIAWOPLAOALH-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1F 334599939 FBVBSFLZFKBDND-NSHDSACASA-N 266.291 3.537 30 20 CHED C=CCC1(C(=O)N2CC3(CCC3(F)F)C2)CCCCC1 334696326 GXNVBAZNBBFUSU-UHFFFAOYSA-N 283.362 3.771 30 20 CHED C=CC[C@H]1N(C(=O)c2cncc(CC)c2)CCCC1(C)C 345292575 NAEKDQCOAJVZTD-MRXNPFEDSA-N 286.419 3.851 30 20 CHED Cc1cc(N2CCCC[C@H]2C)ccc1N[C@@H](C)C#N 246140173 XDDKHRJVBMXJPL-UONOGXRCSA-N 257.381 3.698 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@H](c1ccccc1)C1CC1 431312283 IOAWSRWSUNATHS-DLBZAZTESA-N 286.419 3.834 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H]2CCC[C@H]21 432570413 UZOKXKZCAKEOEH-UONOGXRCSA-N 264.413 3.563 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCCCC#N)cc1 345819758 SUZMVEOYIOKSGG-WBVHZDCISA-N 299.418 3.781 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@@](C)(C#N)CCc1ccccc1 249050145 WRKYFTDKZQUNCT-HHXXYDBFSA-N 298.430 3.844 30 20 CHED C[C@H](CCC#N)CN[C@@H]1c2ccccc2CC12CCOCC2 602667210 NQJIEERCECFADX-CRAIPNDOSA-N 298.430 3.610 30 20 CHED C=CC[C@@H](C)NC(=O)N(CCC)Cc1ccccc1F 604900851 RLYSCKMURPRFFW-CYBMUJFWSA-N 278.371 3.712 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1csc2ccccc12 608821385 QVMVXNKRCYJSAC-LLVKDONJSA-N 272.373 3.569 30 20 CHED CCc1cccc(CSc2nc(C)nc(C)c2C#N)c1 344650594 XHADKFJJTVMIAC-UHFFFAOYSA-N 283.400 3.820 30 20 CHED N#Cc1c(F)cccc1N1Cc2cccc(Cl)c2C1 340986859 ZARTZMLYIGUDAA-UHFFFAOYSA-N 272.710 3.871 30 20 CHED N#Cc1ccc(/C=C\c2cc(Br)cs2)nc1 255585792 JKWBKWWJNHXTEB-ARJAWSKDSA-N 291.173 3.948 30 20 CHED Cc1cc(C#N)ccc1C(=O)Nc1ccc2ccoc2c1 343962806 LNNBVDNROXFLAV-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C[C@@H](CCC#N)CN1CCC(CCCN2CCCC2)CC1 602480859 ZOKZQJICLUWVBT-KRWDZBQOSA-N 291.483 3.514 30 20 CHED Cc1ccc(C[C@@H](C)NC[C@@H](C)CCC#N)c(C)c1 602545701 NYUMBAWOZNEKJH-GOEBONIOSA-N 258.409 3.764 30 20 CHED COc1ccc([C@@H](C)N(C)C[C@H](C)CCC#N)cc1 602437392 WIPOAUWABDXONK-ZIAGYGMSSA-N 260.381 3.628 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)cc1F)CCC2 522082424 YYBSJESAVPXTIH-UHFFFAOYSA-N 280.346 3.959 30 20 CHED CCOc1ccc(C=NOCc2ccc(F)cc2C#N)cc1 255577062 TZVPPGILVLBHLO-UHFFFAOYSA-N 298.317 3.647 30 20 CHED CC(C)COC[C@H](NC[C@@H](C)CCC#N)c1ccco1 602529309 GAWHKVKTQNLNKS-GJZGRUSLSA-N 278.396 3.523 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)c1cc(Cl)ccc1Cl 448662413 BNOWPTJPCGIAKC-FZNYLWTLSA-N 297.185 3.720 30 20 CHED O=C1/C(=C/c2cncs2)CSc2ccc(F)cc21 255890394 OVNSXAGMXYOLME-FPYGCLRLSA-N 277.345 3.654 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H]1CC[C@@H](C)C1 537339374 UCHICBWFNNKYQT-WBVHZDCISA-N 271.404 3.680 30 20 CHED C[C@H](CCC#N)CN[C@@H](CCC#N)c1ccccc1 602581177 IHCHHOONKZHGFN-ZBFHGGJFSA-N 255.365 3.561 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCCc1ccccc1 538286740 REGROQUKRNWSTF-HNNXBMFYSA-N 274.408 3.663 30 20 CHED Cc1cccc(C)c1OCCN[C@@H](C)c1cccc(C#N)c1 538394209 RUURMNQTZMQBAG-INIZCTEOSA-N 294.398 3.905 30 20 CHED C=C(CC)CN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 536891039 WDTQIGSFLUNZSL-SFHVURJKSA-N 289.419 3.642 30 20 CHED C=C1CCN(C(=O)c2sc(C(C)(C)C)nc2C)CC1 264220912 YASMFRDUEKVGSQ-UHFFFAOYSA-N 278.421 3.541 30 20 CHED CCc1c(N[C@@H]2CC[C@H](C#N)C2)cnn1CCC(C)C 442858348 HLXHZKGUNRBHHT-UONOGXRCSA-N 274.412 3.596 30 20 CHED Cc1nc(S[C@H](C)c2ccc(C#N)cc2)nc(O)c1C 538516860 UHCNTUGWLWYWCH-LLVKDONJSA-N 285.372 3.524 30 20 CHED C=CCCCN1C[C@@H](c2ccccc2C)OC[C@H]1C 441449731 OKSDCROYILQYKD-WBVHZDCISA-N 259.393 3.723 30 20 CHED CCC1(c2noc(CNc3ccc(C#N)cc3)n2)CCCC1 445782999 OHXQKBIIDNJPLX-UHFFFAOYSA-N 296.374 3.775 30 20 CHED Cc1cnn(CCCCCN[C@@H](C)c2cccc(C#N)c2)c1 611387899 VEWRMRMQIRFNPE-INIZCTEOSA-N 296.418 3.584 30 20 CHED CC(C)c1ccc([C@H](C)NC(=O)[C@]2(C#N)C[C@@H]2C)cc1 448579638 DPVZGOZRBXNEDT-DCGLDWPTSA-N 270.376 3.537 30 20 CHED C=CCC1(C(=O)N(CC)Cc2ccncc2)CCCCC1 448845037 KZJOAKQFYSVIMU-UHFFFAOYSA-N 286.419 3.957 30 20 CHED CC(C)CN(C(=O)C[C@H]1C[C@@H]1C)c1ccc(C#N)cc1 357944721 ILMIVRZYTVXMPQ-DZGCQCFKSA-N 270.376 3.593 30 20 CHED C=C(C)[C@H](CC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC)OCC 533707364 DEOHCCRWZPEXMD-DZKIICNBSA-N 281.440 3.783 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2CC[C@@H](C)C2)c1 538445603 KNAORWAZHQLTSN-CHWSQXEVSA-N 259.349 3.626 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(C[S@](C)=O)cc1 449322205 WVCLDXGJYSNQDI-QRWLVFNGSA-N 293.476 3.790 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNCc1ccc(C#N)s1 537300293 XGVVBERZNQDCIQ-CHWSQXEVSA-N 262.422 3.926 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 352861842 KKOFNUUGDFFLMW-ZWNOBZJWSA-N 282.309 3.855 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 264785690 QRXYCWAZSZTSQN-KSZLIROESA-N 292.382 3.608 30 20 CHED N#Cc1csc(CN2Cc3ccccc3C(F)(F)C2)c1 611287150 OIMFLPVCBXITKK-UHFFFAOYSA-N 290.338 3.727 30 20 CHED N#Cc1ccc(CNCCCCc2ccccc2)s1 610511306 MFTKBNHVEASZJD-UHFFFAOYSA-N 270.401 3.732 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(Cl)c1C 454146593 BPGRUTQUPVMWRQ-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](CC)c1cccc(OC)c1 455308714 BFSVDSMYTZHWQP-MRXNPFEDSA-N 290.407 3.754 30 20 CHED C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccsc1 619763158 QVLNZVZJYQCJCI-LBPRGKRZSA-N 299.399 3.522 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@H]1c1cccs1 455363318 HGKFWDYFHSMARS-LBPRGKRZSA-N 278.421 3.807 30 20 CHED CC#CCCCC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 362144684 DSCYYZLPPLCPBL-AWEZNQCLSA-N 297.320 3.990 30 20 CHED C[C@@H](OCCCNc1cnccc1C#N)c1ccccc1 269978589 QJBNWUFACJOLRE-CQSZACIVSA-N 281.359 3.533 30 20 CHED C=CCCCN(C)C(=O)C1CC(c2cccc(F)c2)C1 363237054 DBZHSBYDDLUCAD-UHFFFAOYSA-N 275.367 3.744 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](c1ccccc1)C1CC1 452775453 OIJXZZXCWGJXCB-OAHLLOKOSA-N 257.377 3.509 30 20 CHED C=C[C@@H]1OCCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 450805470 OPHCFBYBBNOCML-KGLIPLIRSA-N 296.292 3.723 30 20 CHED CC1(C)CN(C[C@@H](C#N)CCC#N)[C@@H]1c1ccccc1 610989108 FJNKPGRYBOKIPA-GDBMZVCRSA-N 267.376 3.513 30 20 CHED CCN(C[C@@H]1C[C@H]2CC[C@H]1O2)[C@H](C)c1ccc(C#N)cc1 450290070 VYRWQQRFLREERS-BVPBIZIASA-N 284.403 3.509 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(C(C)C)nc1CC 452786474 XSTAILMFWGEWPK-UHFFFAOYSA-N 274.408 3.709 30 20 CHED C=CC[C@H]1N(C(=O)CCCC(=O)C2CC2)CCCC1(C)C 451215657 JPLHZAYZXRAUFV-MRXNPFEDSA-N 291.435 3.729 30 20 CHED CC(C)(CC#N)CNCc1cccc2ccccc12 459701536 TWUXMGFOWZBVDB-UHFFFAOYSA-N 252.361 3.869 30 20 CHED CCC1(CC)CCC(NC(=O)CCCC#N)CC1 360473534 KIMGTIJLOVRWOM-UHFFFAOYSA-N 250.386 3.545 30 20 CHED CCN(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CCCC1 618850429 IYBMZCXSPXMJED-QGZVFWFLSA-N 297.402 3.520 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OCCC)cc1 453330864 BFZAPTRZZDUFEB-OLMNPRSZSA-N 289.419 3.860 30 20 CHED C=CCC1(c2nc([C@](C)(CC)OC)no2)CCCC1 453188125 PLOYWBQIEAHTLF-AWEZNQCLSA-N 264.369 3.729 30 20 CHED C=CCC1(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CCCC1 450134556 POFFFTOBZWHCSC-UHFFFAOYSA-N 287.285 3.504 30 20 CHED C=CCCC1(C(=O)N2CCc3ccccc3[C@@H]2C)CC1 361756366 UKGVZFORHDLGNW-AWEZNQCLSA-N 269.388 3.879 30 20 CHED C=C(C)CCNC(=O)Nc1cc(C)ccc1-n1cc(C)cn1 454999248 LLSBNLFYXJSVRP-UHFFFAOYSA-N 298.390 3.577 30 20 CHED C=C(C)CCNC(=O)CCc1ccc(-c2ccccc2)o1 452723985 PILGYDAOVTXEGY-UHFFFAOYSA-N 283.371 3.962 30 20 CHED CC(C)c1cccc(CNC(=O)N2CCC(CC#N)CC2)c1 547483906 NSXDCKAIUAVUIE-UHFFFAOYSA-N 299.418 3.645 30 20 CHED C/C=C\COc1ccc(CC[C@H](C)NC[C@H](C)C#N)cc1 547361819 PERULHLLEUTNCV-MSNYOWOLSA-N 286.419 3.712 30 20 CHED CCOC(C)(C)CN[C@H]1CCCCc2cc(C#N)ccc21 360871167 JIINCMWZUGMDRH-KRWDZBQOSA-N 286.419 3.730 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(Cc3ccccc3)CC2)C1 278509672 BGLNNZNBTNBSBA-ZWKOTPCHSA-N 268.404 3.633 30 20 CHED CC#CCCNC(=O)C[C@H](C)c1ccc(C(C)C)cc1 541747227 SKWGQBJKOXIPRJ-HNNXBMFYSA-N 271.404 3.833 30 20 CHED C#CCOc1ccccc1CN[C@@H](CC)c1ccccc1O 274978048 YXFBOOPMTPQXAN-KRWDZBQOSA-N 295.382 3.645 30 20 CHED COc1ccc(CNc2c(Cl)cccc2C#N)c(F)c1 467794510 IVOCWNUDQCCPEO-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccn1Cc1cccs1 467692085 FWVAUCPHBPUFIF-CYBMUJFWSA-N 288.416 3.682 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(F)cc1N(C)C 467416722 IYRWGOLAKBRKPO-JSGCOSHPSA-N 264.388 3.897 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)CC(C)(C)C#N)CC2 278821851 PPVCANDALWYKDY-MRXNPFEDSA-N 284.403 3.853 30 20 CHED N#CCCCOc1cccc(N[C@H]2CCC[C@@H]3C[C@H]23)c1 378905023 YPPOOUSKXQKBOC-COXVUDFISA-N 270.376 3.970 30 20 CHED C=CCN(C(=O)c1cc(SC)oc1C)C(C)(C)C 622945662 MWRZPLWBDMBPLE-UHFFFAOYSA-N 267.394 3.737 30 20 CHED C[C@@H]1Oc2ccccc2[C@@H]1Nc1ccc(Cl)c(C#N)n1 377175127 KSHDIJFIZRVEMQ-BJOHPYRUSA-N 285.734 3.541 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccoc1C1CC1 281762155 FOOAKPSIUUJDAK-UHFFFAOYSA-N 274.364 3.559 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)c1ccccc1 468008393 AAPRCHSYMCZCTR-PBHICJAKSA-N 259.393 3.851 30 20 CHED C=CCC[C@H](CC)N[C@@H](CO)c1cccc(Cl)c1F 467406509 PXUBQDAEMCGDPZ-FZMZJTMJSA-N 285.790 3.847 30 20 CHED C=CCC[C@H](NC[C@H](O)C(CC)CC)c1ccco1 552246380 SDFVVYNEBBVKAB-GJZGRUSLSA-N 265.397 3.674 30 20 CHED C=CCn1c(CCCC)nnc1N1CCCC[C@@H]1CC 554926151 KPZFWDZOBFYPCE-AWEZNQCLSA-N 276.428 3.576 30 20 CHED C=CCCN(C)C(=O)c1coc2ccc(CC)cc12 286768712 LHTNSOXAXFWHQQ-UHFFFAOYSA-N 257.333 3.643 30 20 CHED C=C[C@H](C)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 465120173 NYHDDYKNRDUDFQ-DTWKUNHWSA-N 272.175 3.788 30 20 CHED CC(C)COc1ccc(CN(CC#N)C2CCCC2)cc1 552076515 SILGOFXFKADMJA-UHFFFAOYSA-N 286.419 3.990 30 20 CHED CC1(C)CN(Cc2ccc(F)cc2C#N)[C@@H]2CCC[C@H]21 559426037 YPRCDUFEFSEPKE-HZPDHXFCSA-N 272.367 3.708 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)C1CCCCCC1 466367376 TWRMIDRODWRROL-CYBMUJFWSA-N 252.402 3.705 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cc(C#N)ccc1C 289424694 BZFGDSHZWXMPLB-ZDUSSCGKSA-N 273.380 3.909 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(C2CCCC2)C1 474667572 TWUQVFZPAHDBMR-ZDUSSCGKSA-N 264.413 3.563 30 20 CHED C=CCCCCNC(=O)Nc1cccc(C)c1F 473772126 IIRRNWQKUNHBBM-UHFFFAOYSA-N 250.317 3.612 30 20 CHED C=CCCCSCC(=O)N(C)Cc1ccc(CC)cc1 477000426 JPUNUVQDBOKHLG-UHFFFAOYSA-N 291.460 3.907 30 20 CHED Cc1ccc(CCNc2ncc(C#N)cc2Cl)cc1 558077025 WPFSZLGNFSKXNW-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1ccc(Cl)cn1 805923964 BSMXMMOJIYRTSE-LLVKDONJSA-N 280.755 3.813 30 20 CHED CC(C(=O)NCc1ccc(C#N)c(Cl)c1)=C1CCCC1 801523117 BMGDCULRPKGKMN-UHFFFAOYSA-N 288.778 3.718 30 20 CHED C=CCCCCNC(=O)c1cccc2ccsc12 471689119 RISUIPHHAURGPL-UHFFFAOYSA-N 259.374 3.987 30 20 CHED Cc1nc(N2CCC[C@@H]2c2ccccc2)ccc1C#N 291704538 UTMXEXFGMPMKCP-MRXNPFEDSA-N 263.344 3.603 30 20 CHED C[C@@H](CNCCC#N)c1c(Cl)cccc1Cl 567682309 NAUNYFNHOLNELV-VIFPVBQESA-N 257.164 3.600 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[C@@H](C)C1 476744005 WEVVAMVTPTWJRW-IUODEOHRSA-N 285.391 3.815 30 20 CHED CC(C)[C@@H](NCCO[C@@H](C)C#N)c1ccccc1Cl 801940066 UZIUSMXCMSLGKF-SWLSCSKDSA-N 280.799 3.555 30 20 CHED C=CC(C)(C)C(=O)N1CCC(Nc2cccc(C)c2)CC1 296005178 XZWFWUMSHCQULW-UHFFFAOYSA-N 286.419 3.610 30 20 CHED N#Cc1nc(F)ccc1OCc1cccc(C(F)F)c1 808044873 KHRIVQMVMQCKNW-UHFFFAOYSA-N 278.233 3.609 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H](c2ccccc2C)C1 472835931 POZCAWBMRMRLEE-MRXNPFEDSA-N 286.419 3.850 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 644583444 CLDQMTKEDFWPIR-WCQYABFASA-N 261.365 3.622 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 298869941 JMESKZBZKOUIIK-QWHCGFSZSA-N 290.382 3.957 30 20 CHED C=C[C@@H](C)OC(=O)c1cccc(C(=O)Nc2ccccc2)c1 802781996 KPVAUOQSOXBHJK-CYBMUJFWSA-N 295.338 3.670 30 20 CHED C=C(C)CN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 565998237 RNVVQDDONSDCOZ-UHFFFAOYSA-N 293.382 3.541 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1CC 474090911 UYCTYPFXBXSUPF-LSDHHAIUSA-N 266.429 3.953 30 20 CHED C=C[C@@](C)(CC)c1nc(Cc2ccc(C)cc2)no1 565503944 BTHRVLRBKDKRBX-INIZCTEOSA-N 256.349 3.823 30 20 CHED C=CCOc1ccccc1C(=O)N(C)CCC(C)(C)C 648542554 BXUCWTOYGYOVRH-UHFFFAOYSA-N 275.392 3.760 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C)c1ccccc1 488832402 UOYIVHSKOKOIGO-GOEBONIOSA-N 257.377 3.747 30 20 CHED C=C(C)CN(C)C(=O)c1occc1-c1ccccc1 482218129 XUHVSMKZESZGOA-UHFFFAOYSA-N 255.317 3.595 30 20 CHED CC(C)C[C@H]1CCCC(=NNC[C@H]2CCSC2)C1 811660218 JERFUQIKTYESFH-ZIAGYGMSSA-N 268.470 3.921 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(OC)c(C2CC2)c1 814419916 CMPWMEHGPBFNGH-UHFFFAOYSA-N 287.403 3.905 30 20 CHED Clc1ccccc1NN=C1COc2ccccc21 814691393 ZCXJXLYEHSPVCZ-UHFFFAOYSA-N 258.708 3.549 30 20 CHED Clc1ccnc(NN=C2COc3ccc(Cl)cc32)c1 814898420 PIIJHQMRCGPGQG-UHFFFAOYSA-N 294.141 3.597 30 20 CHED CSC(C)(C)CC=NNc1nc(-c2ccccc2)no1 814828594 KOAUROUKORZUCD-UHFFFAOYSA-N 290.392 3.666 30 20 CHED N#Cc1cc(C(=O)N[C@@H](C2CCC2)C2CC2)ccc1Cl 566546451 BKAYSWJRDNPMBU-HNNXBMFYSA-N 288.778 3.520 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(C)nc1C 814814898 DRXSUWRZKLDAMG-UHFFFAOYSA-N 257.312 3.674 30 20 CHED C[C@H](NN=C1CC[C@H](C(=O)O)C(C)(C)[C@H]1C)C(C)(C)C 814937906 RPHKJENXPDWPQJ-SDDRHHMPSA-N 282.428 3.524 30 20 CHED C=CCC(F)(F)C(=O)NCc1oc2ccc(F)cc2c1C 815110094 DWKMQGMZDCEKDB-UHFFFAOYSA-N 297.276 3.708 30 20 CHED C=CCCCCCOC(=O)c1csc(C(C)=O)c1 815279966 YABYMZRSMAYXMJ-UHFFFAOYSA-N 266.362 3.854 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2CC3CCC2CC3)c(F)c1 814492902 HYYVMDRJDSJZOC-HGMXIMQMSA-N 287.334 3.567 30 20 CHED C(=NOCC1CC1)c1cccc(-c2ccccn2)c1 814243496 ZOSQJWIAOGHJAS-UHFFFAOYSA-N 252.317 3.509 30 20 CHED FC(F)(F)COc1ccc(C=NOC2CCC2)cc1 812235153 NAWLBECBXZZWAZ-UHFFFAOYSA-N 273.254 3.531 30 20 CHED COc1cc(NN=Cc2cccnc2Cl)ccc1Cl 814918093 AKOMRQDHCAINFP-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@]1(C#N)CC1(C)C 813303553 PQOBBKXOWVDBQO-AYAUWGRQSA-N 288.778 3.552 30 20 CHED N#CCCCC(=O)OCc1cccc(Cl)c1Cl 812613936 DDWONCKPWFVIFS-UHFFFAOYSA-N 272.131 3.730 30 20 CHED N#Cc1ccc(C(=O)Nc2cnc(-c3ccccc3)s2)o1 815908620 GJOYJWSDBMPUMO-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=CCN1CC[C@@H](Oc2ccc(-c3ccccc3)cc2)C1=O 577520067 LZAZZUCGVYFOGU-GOSISDBHSA-N 293.366 3.519 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)s2)cc1O 811697395 CRSQYEHVCROEMF-SREVYHEPSA-N 274.341 3.667 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)cc1C#N 483778208 QWZXUKXPQCWOGF-FZMZJTMJSA-N 274.339 3.852 30 20 CHED CC(=O)Nc1ccc(Nc2cccc(F)c2C#N)cc1C 725788133 LPHPAQIJMFUOIO-UHFFFAOYSA-N 283.306 3.708 30 20 CHED C/C(C=NNCC(F)F)=C/c1ccccc1OC(F)F 811643203 XKAZYUXDJUKDGQ-GBDNMZEOSA-N 290.260 3.532 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@@H](OC)C(CC)CC 485385346 VQZQLCFZEBQEOY-CQSZACIVSA-N 269.429 3.546 30 20 CHED C=C(C)CCNc1cnn(-c2ccccc2)c1CC 572282376 PSXLYIMFJMFQTG-UHFFFAOYSA-N 255.365 3.813 30 20 CHED C=C(C)COc1cc(CNC2(C)CC=CC2)ccc1OC 655813777 BFMBAWNMGXTHBG-UHFFFAOYSA-N 287.403 3.848 30 20 CHED CC1(C)Cc2cc(C=NNc3cccc(C#N)c3)ccc2O1 729143834 SPVJQPSRFAFGCA-UHFFFAOYSA-N 291.354 3.718 30 20 CHED C=CCC(C)(C)c1noc(Cc2cccc(F)c2F)n1 571771528 SDEQUUICPZTJPQ-UHFFFAOYSA-N 278.302 3.792 30 20 CHED C=C[C@H](CC)CC(=O)NCCC[C@H]1CC1(Cl)Cl 824074119 CGPIOHPQFOSGDF-MNOVXSKESA-N 278.223 3.679 30 20 CHED C#CC1CCN(C(=O)N[C@H](c2ccccc2C)C(C)C)CC1 825985311 GXFZHARGKCKWHF-SFHVURJKSA-N 298.430 3.747 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(CC(F)(F)F)cs1 820826160 DKTLBQSNYARHAR-QMMMGPOBSA-N 292.326 3.789 30 20 CHED CC[C@H](CSCc1cc(C#N)ccn1)CC(F)F 901802750 NGGZGASRJBZWEG-JTQLQIEISA-N 270.348 3.868 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nc(-c3ccsc3)no2)c1 904298986 NFHUDEADQNOBMZ-UONOGXRCSA-N 293.351 3.941 30 20 CHED N#CCc1cc(-c2ccc(O[C@H]3CCOC3)cc2)ccc1F 904753891 MUOCEYJYYMWMAC-KRWDZBQOSA-N 297.329 3.726 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1 833309855 HENJRMYNISVDPD-CMDGGOBGSA-N 288.249 3.559 30 20 CHED Cc1cnc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)o1 834943167 VCAHPHFGGLZXRF-ZDUSSCGKSA-N 271.364 3.791 30 20 CHED C=CCC[C@H](C)N[C@H](CCC(=O)O)c1ccccc1 901646841 AKRCXJXEFSJHBD-DZGCQCFKSA-N 261.365 3.537 30 20 CHED N#CC1(CCCCOC(=O)c2ocnc2C2CC2)CCC1 909330398 MIMNTUILDVKAHR-UHFFFAOYSA-N 288.347 3.573 30 20 CHED CC(C)c1ncsc1C(=O)OCC1(C#N)CCCC1 835283359 WGCPKVFELCBXIA-UHFFFAOYSA-N 278.377 3.507 30 20 CHED CN(CCCc1ccccc1)c1ccc(C#N)c([N+](=O)[O-])c1 589559673 JPHAZDYTPCXZJS-UHFFFAOYSA-N 295.342 3.535 30 20 CHED C=C(C)CCc1noc(Cn2ccc3cc(OC)ccc32)n1 671670800 AGNGIKGZJUBCFB-UHFFFAOYSA-N 297.358 3.590 30 20 CHED Cc1nc(NC(=O)CCCSC(C)(C)C)ccc1C#N 839416471 ARDQOZQBEZMHML-UHFFFAOYSA-N 291.420 3.512 30 20 CHED CC(=NNc1ncncc1Cl)[C@@H]1CCCC[C@H]1C 834972234 KNCCVISUGYGFAB-MWLCHTKSSA-N 266.776 3.744 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1cc(C)ncn1 731934942 KYWUSQMDWFWJDG-UHFFFAOYSA-N 282.391 3.941 30 20 CHED Cc1ccc(C)c(NC(=S)NN=Cc2ccsc2)c1 915912896 UQSKIFZLQBQPAU-UHFFFAOYSA-N 289.429 3.685 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cc(F)ccc1O 916581135 LZYMSRPFAYUCPP-UHFFFAOYSA-N 280.249 3.646 30 20 CHED CCCCCCCC(=O)Oc1ccccc1-n1cncn1 836085768 HJMYEMAFLSUMPS-UHFFFAOYSA-N 287.363 3.533 30 20 CHED C=C(Cl)COC(=O)Cc1cc(Cl)ccc1Cl 748391490 MFAQCBVBBWASNG-UHFFFAOYSA-N 279.550 3.832 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CC(C)(C)C 594043784 OPJHNADAZCGQPQ-UONOGXRCSA-N 286.419 3.678 30 20 CHED O=[N+]([O-])c1ccccc1NN=CC1CCCCCC1 741837458 KKVHGPXZUQTBND-UHFFFAOYSA-N 261.325 3.963 30 20 CHED CCCCCCCCS(=O)(=O)c1cccc([N+](=O)[O-])c1 915790829 FSLOAKGMYVEITM-UHFFFAOYSA-N 299.392 3.729 30 20 CHED CC1(C)CCCN(Cc2cc(O)ccc2Cl)[C@@H]1C#N 599386075 PKBZEKOUKUDCTO-CQSZACIVSA-N 278.783 3.560 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 599059175 OLNVCGWXNSTAJH-VHDGCEQUSA-N 290.357 3.836 30 20 CHED N#Cc1cccc(OCc2nc(C3CCCCCC3)no2)c1 843318052 WLZLHYLBSYYPNA-UHFFFAOYSA-N 297.358 3.958 30 20 CHED C[C@@H](Nc1ncc2c(c1C#N)CCC2)c1ccsc1 591824897 CPNLNXORPJRGGD-SNVBAGLBSA-N 269.373 3.677 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(-c2cncc(F)c2)ccc1C 670067920 KTBSVKMYUGTXKP-GFCCVEGCSA-N 299.349 3.892 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCCCC1CCC1 596803809 UVQBCGIHBQFPBD-UHFFFAOYSA-N 271.364 3.569 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2c1ccc2cc(C#N)ccc2n1 596540512 FZZUEBJWCYCYNE-SFESLNEESA-N 277.371 3.874 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 591739136 JQDVPDUHGHZOCA-UHFFFAOYSA-N 295.766 3.667 30 20 CHED Cc1cccc(OCCCN[C@@H](C)c2ccc(C#N)cc2)c1 743465372 ZSSXZDALUOZBSR-INIZCTEOSA-N 294.398 3.986 30 20 CHED CSc1ccc(C=NNc2ncccc2Cl)cc1 917549520 QXZMKLPBIMLHSB-UHFFFAOYSA-N 277.780 3.903 30 20 CHED C[C@@H](CC#N)N(C)CCSc1cccc(Cl)c1 595343153 DWBGGGBWZVFPJM-NSHDSACASA-N 268.813 3.666 30 20 CHED CS[C@H](C)CCC(=O)OCCC1(C#N)CCCCC1 840408579 ZHRKQISTNKWAIR-CYBMUJFWSA-N 283.437 3.925 30 20 CHED CC(CCc1ccccc1)=NNc1cc(Cl)nc(C)n1 741763554 ADBWZEZIBWKEQY-UHFFFAOYSA-N 288.782 3.859 30 20 CHED CCCCCCCCSc1ncnc2c1cnn2C 915793978 CNBSLSBWVFCQCT-UHFFFAOYSA-N 278.425 3.816 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cc(C#N)cs1 748438776 FUDLCDGJGXENRL-VOTSOKGWSA-N 253.326 3.824 30 20 CHED N#Cc1cccc(Cc2nc(C3CCCCCC3)no2)c1 592463869 BKCYXHXOSQZXKV-UHFFFAOYSA-N 281.359 3.970 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 741722324 FLAJBNHKWRNLJF-JKSUJKDBSA-N 282.472 3.726 30 20 CHED C=C(C)CCOC(=O)c1ccc(OCc2cccnc2)cc1 744299995 OEOVIFGSXDJVLB-UHFFFAOYSA-N 297.354 3.784 30 20 CHED Cc1ccc(CCCCC(=O)N2CCC[C@H](CC#N)C2)cc1 597910836 BLSRZVZCMNXCST-GOSISDBHSA-N 298.430 3.860 30 20 CHED Cc1ccccc1C[C@H](C)/N=C/c1ccccc1O 917557164 ZQILPHYCZORLJZ-QCUKBLKESA-N 253.345 3.751 30 20 CHED N#CC1(c2ccc(CN3CC[C@H]4CCC[C@H]43)cc2)CC1 597093164 YGQJRAXRVWLGQJ-NVXWUHKLSA-N 266.388 3.616 30 20 CHED CCO[C@H]1CC(=NNc2ccc(F)cc2F)C12CCC2 741159878 FQWPWSWSPKEAQB-AWEZNQCLSA-N 280.318 3.712 30 20 CHED Cc1ccccc1CC1CN(CC(C)(C)CCC#N)C1 590967185 DIPVTSVVNJVUMJ-UHFFFAOYSA-N 270.420 3.799 30 20 CHED COc1ccc(C#N)cc1NC(=O)/C=C(\C)c1ccccc1 747399333 SFGMUDCLYYQAST-JLHYYAGUSA-N 292.338 3.609 30 20 CHED CCc1oc2ccccc2c1CN(C)C(=O)[C@H](C#N)CC 593391624 AVRBGQDRJUJTBO-LBPRGKRZSA-N 284.359 3.503 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cc(-c2ccccc2)ns1 747230283 YMKUQJFQTHEHAC-CYBMUJFWSA-N 286.356 3.515 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)Cc2ccccc21 759073932 QFRNVSACGLTWCJ-TWGQIWQCSA-N 261.733 3.619 30 20 CHED COc1ccc([C@@H](C)C(C)=NNC2CCCC2)cc1 747630564 PZRLHJAYIORWBF-LBPRGKRZSA-N 260.381 3.707 30 20 CHED CCCO[C@@H]1CCCN(c2ccc(C#N)cc2C)CC1 846750190 OCCQZLUMEPLJQO-MRXNPFEDSA-N 272.392 3.652 30 20 CHED Fc1cccc2c1SCCC2=NO[C@H]1CCCCO1 755820395 CQIBGGKKMDADLE-ZDUSSCGKSA-N 281.352 3.569 30 20 CHED CCCCC[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)OC 751889476 BUGOWFYVRDDYCH-VZWMTCDZSA-N 297.782 3.586 30 20 CHED CCc1ccc([C@@H](NCCCC#N)c2cccnc2)cc1 926134327 XSZVSESRPPTRGT-GOSISDBHSA-N 279.387 3.627 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2ccccc2[nH]1 926617240 WRCDIDOTYKEEGT-SGMGOOAPSA-N 253.349 3.511 30 20 CHED Cc1ccc2c(c1)OCC/C(=C/c1ccc(O)c(F)c1)C2=O 755599864 SYMHFLCUWPMLTO-LCYFTJDESA-N 298.313 3.889 30 20 CHED CCc1ccc(C=NN[C@@H](C)c2ccccc2)cc1 920385815 HXICMLQXXCCMIM-AWEZNQCLSA-N 252.361 3.934 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(-n2cccn2)cc1C 685013156 OHQVGBQAVAAYEG-CQSZACIVSA-N 298.390 3.657 30 20 CHED C=CCN(Cc1ccn(-c2c(F)cccc2F)n1)C(C)C 751963000 DJRWGTRAGDZXHQ-UHFFFAOYSA-N 291.345 3.547 30 20 CHED Fc1cccc(Cl)c1NN=Cc1ccnn1CC1CC1 853334408 CWFCKDHQKTVEEY-UHFFFAOYSA-N 292.745 3.532 30 20 CHED C#CC[C@@H](NC(=O)Nc1nc(CC)cs1)c1ccccc1 757915124 RQODWOKOQSNWAA-CQSZACIVSA-N 299.399 3.592 30 20 CHED CC(CC1CCOCC1)=NNc1ccc(C)c(F)c1 853438544 GEENYOIFQSUTFH-UHFFFAOYSA-N 264.344 3.739 30 20 CHED CC(C)CCC[C@H](C)NC=C1C(=O)CC(C)(C)CC1=O 920975878 BEUQJJGAYKBOIO-ZDUSSCGKSA-N 279.424 3.633 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@H](C#N)C1)c1ccccc1 921561499 HYVOACDMANVGFX-WBVHZDCISA-N 297.402 3.639 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@H]1c1ccccc1Cl 753259381 STEBRXCPZKZOAT-IUODEOHRSA-N 290.794 3.598 30 20 CHED CC(=NNCC1(C)CCCC1)c1ccc(C(F)F)nc1 853348696 MLKDZXSGGUXBJR-UHFFFAOYSA-N 281.350 3.913 30 20 CHED Clc1c(C=NNC2CCOCC2)sc2ccccc12 757591549 SIDPXEXCRLFSPX-UHFFFAOYSA-N 294.807 3.657 30 20 CHED C=CCCONC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 856030634 KRWMSCRDDFBZMW-AWEZNQCLSA-N 291.391 3.510 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1ccc2ccccc2n1 756841995 HEYOBXLVUSYKFI-UHFFFAOYSA-N 296.761 3.541 30 20 CHED Cn1nc(C(F)(F)F)cc1/C=C1/CCCC(C)(C)C1=O 853007120 PPYYCLSVBZRMMZ-CLFYSBASSA-N 286.297 3.602 30 20 CHED FC(F)(F)C(=NOC1CCCC1)c1ccccc1 751956086 OBMFXOLGRKAXBD-UHFFFAOYSA-N 257.255 3.912 30 20 CHED C=C[C@H](OC(=O)c1cc(C)n(C(C)C)n1)c1ccccc1 851452968 ZIDGZJLOJGHZBM-INIZCTEOSA-N 284.359 3.857 30 20 CHED C#CCCCC(=O)N[C@H](c1nc2ccccc2[nH]1)[C@H](C)CC 758089890 YJGYDHOSZCYYGE-DYVFJYSZSA-N 297.402 3.570 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2cc(C)cc(C)c2)c1 766501908 KETUEHCBSYGTOU-SNAWJCMRSA-N 284.311 3.579 30 20 CHED Cc1sc(NCCCC#N)nc1-c1ccc(F)cc1 865670566 ACQQOEOBIRZBKF-UHFFFAOYSA-N 275.352 3.973 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](F)C(C)C)CCCC1(C)C 767217985 DGDHNMDMOAHVAN-OLZOCXBDSA-N 255.377 3.574 30 20 CHED C#CCCCCc1nc(Cc2cc(C)cc(C)c2)no1 761589276 BBSASJZRXAFVFO-UHFFFAOYSA-N 268.360 3.623 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O 935774044 WYJIMZNAUGQLGS-VQHPVUNQSA-N 293.451 3.521 30 20 CHED C=C1CCN(C(=O)Nc2csc(-c3ccccc3)n2)CC1 931405656 LJTYSOXPOQTVFU-UHFFFAOYSA-N 299.399 3.994 30 20 CHED C[C@H]1CCC(=NNc2cc(C#N)cc(Cl)n2)C[C@H]1C 767386586 SUNKWLUVGBMRNT-VHSXEESVSA-N 276.771 3.831 30 20 CHED C#CCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 764243121 WTGHFISIHFOTJX-QGZVFWFLSA-N 252.361 3.718 30 20 CHED C/C(=C/C1CCC(C)CC1)C(=O)N1CCC[C@H](CC#N)C1 869230707 JULHKRJMLYGQRE-TUQULKQYSA-N 288.435 3.911 30 20 CHED CC#CCCCC(=O)N[C@](C)(CC)c1ccccc1 767087472 UNSLCCDRGCIUBP-QGZVFWFLSA-N 257.377 3.622 30 20 CHED Cc1cc(C(=O)N(c2ccccc2C#N)C2CCC2)co1 1119426719 QSBJMGPIVNDKOG-UHFFFAOYSA-N 280.327 3.659 30 20 CHED C=C(C)C[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)O 864531085 USOJGFBRSKFHEP-GFCCVEGCSA-N 288.174 3.502 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc2c(s1)CCCCCC2 767077169 FRIMQDXOPAFGMY-UHFFFAOYSA-N 290.432 3.790 30 20 CHED CC(=O)[C@](C#N)(CCN1CC(C)(C)C1(C)C)c1ccccc1 1119306962 WNYJTEKSHVESRX-LJQANCHMSA-N 298.430 3.547 30 20 CHED C#CCCCCCC(=O)Nc1cccc(Br)c1 779704706 WUJOSSJOAXDRJZ-UHFFFAOYSA-N 294.192 3.971 30 20 CHED C[C@@H]1CCC[C@H](CN2CCO[C@H](c3cccc(C#N)c3)C2)C1 771453708 FIUGPDLEHNLJHT-AYBZRNKSSA-N 298.430 3.758 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C)cc1CN(C)C 878846839 MSVLPVBSYMRVNG-UHFFFAOYSA-N 274.408 3.597 30 20 CHED C#CCCCCCC(=O)N1C[C@@H]2CCCN2c2ccccc21 779837405 OQACCBYTOXZLHG-INIZCTEOSA-N 296.414 3.586 30 20 CHED C#CC[C@H](N[C@@H](C)Cc1ccccc1OC)c1ccccc1 773114787 JYZMEARDSXRTGC-LPHOPBHVSA-N 293.410 3.980 30 20 CHED C[C@@H]1[C@@H](OC(=O)Cc2ccccc2CC#N)CCC[C@H]1C 779373015 VBQWXJXNFZKLLE-KEYYUXOJSA-N 285.387 3.663 30 20 CHED Cc1sc(CNCCCCC#N)cc1Br 873041158 DSXFMQWCVDSUIT-UHFFFAOYSA-N 287.226 3.603 30 20 CHED C#CC[C@@H](NCc1cccc(Cl)c1O)c1ccccc1 776252609 NJHIVIMMWJDTSJ-MRXNPFEDSA-N 285.774 3.900 30 20 CHED COc1ccsc1C=NN[C@@H]1CCCCC1(C)C 773126876 WFSJFLRQAMOFIJ-CYBMUJFWSA-N 266.410 3.649 30 20 CHED N#Cc1cc(C(=O)O[C@H]2C[C@@H](c3ccccc3)C2)cs1 1122874029 HUPMKUNMUWNXSA-XBXGTLAGSA-N 283.352 3.723 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccccc1C 776844818 YRJQBLVPQRUGTD-UHFFFAOYSA-N 265.360 3.911 30 20 CHED C=CCC[C@H](C)Nc1ccc(N(C)C(=O)CC)cc1 883314670 MDYXKKBJQGQVTC-ZDUSSCGKSA-N 260.381 3.826 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc(Cl)c(F)c1 773149766 NRYXGKHYNJFRDP-LFYBBSHMSA-N 298.704 3.843 30 20 CHED C=C(C)CCC(=O)O[C@@H](C)c1nc(C2CC2)cs1 1121089717 DAFHOXYAEZVRQY-JTQLQIEISA-N 265.378 3.981 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccnc1Sc1ccccc1 781130969 CBBVTILWMYKEHH-LBPRGKRZSA-N 298.367 3.692 30 20 CHED CC(C)(C#N)CCCN1Cc2ccccc2N2CCC[C@@H]2C1 880549856 HBXVKFNBGGLNAX-QGZVFWFLSA-N 297.446 3.801 30 20 CHED C[C@H](CC(=O)[C@H](C#N)c1ncc(Cl)n1C)CC(C)(C)C 1123336347 HBXXIQJIPFECPX-MNOVXSKESA-N 295.814 3.712 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1F 888356479 OXVTWZYBGSFWKY-CYBMUJFWSA-N 289.354 3.740 30 20 CHED C=CC(C)(C)CC(=O)N1CCS[C@@H](c2ccccc2)C1 880538962 PLPTXGJUZQVUKK-OAHLLOKOSA-N 289.444 3.905 30 20 CHED C[C@]1(C#N)CCCN(C(=S)Nc2cccc(Cl)c2)C1 783774244 RSDBVGZUQRFFLU-CQSZACIVSA-N 293.823 3.662 30 20 CHED CCCCCCCCCC(=O)NC[C@@H]1CCC=CO1 781480088 MDWOUNCPCUDJLQ-HNNXBMFYSA-N 267.413 3.936 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2csc(Cl)c2)c1 786353284 ZEIHINDVLJSYTO-UHFFFAOYSA-N 295.722 3.769 30 20 CHED CC1(C)CCC(=NNC(=S)Nc2ccccc2)C1 783794749 ZBOCLGJOODZWLG-UHFFFAOYSA-N 261.394 3.539 30 20 CHED C#Cc1cccc(N(C(=O)c2c(C)coc2C)C(C)C)c1 786169427 XUOHOEFQRVXKER-UHFFFAOYSA-N 281.355 3.933 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1ccc(O)cc1O 782342201 ORALMKQGYHIOLC-QHHAFSJGSA-N 291.306 3.542 30 20 CHED CCCCCCCCC(=O)NC1(C(=O)OC)CCCCC1 890525660 DKLJVJIQCSZYKE-UHFFFAOYSA-N 297.439 3.729 30 20 CHED Fc1cc(Cl)ccc1C=NNc1nc2ccccc2[nH]1 783507378 GRVMEXLNHBGFBL-UHFFFAOYSA-N 288.713 3.801 30 20 CHED Fc1cccc2[nH]cc(C=NNC3CCCCC3)c12 786039722 GOSYUGUZUYUNFK-UHFFFAOYSA-N 259.328 3.563 30 20 CHED CC(C)[C@H]1C[C@H](CC(=O)OCCCC(C)(C)C#N)CCO1 784650679 XHIMJTATLGVOQE-HUUCEWRRSA-N 295.423 3.701 30 20 CHED CC1(C)C[C@@H](NN=Cc2ccc3ccccc3c2)CCO1 780253051 OEMYSHQACKDCKC-KRWDZBQOSA-N 282.387 3.721 30 20 CHED C=C1CCC(C(=O)N[C@@H](CC(F)(F)F)C(C)C)CC1 890118070 GJPAPPDCEIKWPF-LBPRGKRZSA-N 277.330 3.826 30 20 CHED C=CC[C@H](CC)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 393776001 FUHCGQTYIYTAEL-BPQIPLTHSA-N 272.436 3.594 30 20 CHED C=C(Br)CN[C@@H](C)c1cccc(C)c1C 167347811 KQUQDIXFRDBDNP-LBPRGKRZSA-N 268.198 3.863 30 20 CHED C#Cc1ccc(C(=O)Nc2cnn(C3CCCC3)c2C)cc1 897580538 YDNUKQZJURTTIA-UHFFFAOYSA-N 293.370 3.540 30 20 CHED C=CCc1ccccc1OC(=O)[C@@H]1CCOC2(CCC2)C1 892448300 KSEIHRMVIQDDPG-OAHLLOKOSA-N 286.371 3.670 30 20 CHED CC1(CNN=C2CCC[C@@H]2c2ccccn2)CCCC1 793083677 DTWJGEJMXUPTMN-CQSZACIVSA-N 271.408 3.875 30 20 CHED C=CC[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F 792989172 ZQRNOSJOIYZJMM-NSHDSACASA-N 286.341 3.826 30 20 CHED CCOc1cccc(/C=N\C[C@H]2CCC(F)(F)C2)c1O 797398940 SDHSNVKVWLPBMH-TZQXVGBESA-N 283.318 3.645 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](CC)c1ccccc1OC 798363622 CKAKOJGIPGNYHF-HIFRSBDPSA-N 290.407 3.800 30 20 CHED COCCCON=C(C)c1cc(F)c(Cl)cc1Cl 795048084 GMOJRBRJACOAPU-UHFFFAOYSA-N 294.153 3.910 30 20 CHED N#CCCn1ccc(N[C@@H]2CCc3cc(Cl)ccc32)n1 795304862 XSFQJUAAECXYMK-CQSZACIVSA-N 286.766 3.550 30 20 CHED C=CCCCCCOC(=O)Cc1ccc(Cl)cn1 792718958 SPPKOAXCZYCZCF-UHFFFAOYSA-N 267.756 3.567 30 20 CHED COc1ccccc1CON=Cc1ccc([C@@H]2C[C@@H]2C)o1 799117959 QFLXVOLSKMKRLE-SWLSCSKDSA-N 285.343 3.962 30 20 CHED CN(CCC(C)(C)C#N)[C@H]1CCCc2ccccc21 561687005 BUNLWFNYTBLHGR-INIZCTEOSA-N 256.393 3.936 30 20 CHED N#Cc1ccccc1COC(=O)[C@H](F)CC1CCCCC1 796209430 UHETWRSCAXBMJL-MRXNPFEDSA-N 289.350 3.910 30 20 CHED C#CCOc1ccc(NC(=O)C2(CCC)CCC2)cc1 759192436 ROBKQIGFPREAQX-UHFFFAOYSA-N 271.360 3.608 30 20 CHED Fc1ccccc1NN=Cc1ccsc1Cl 790154818 XRLBZZORMQSCEA-UHFFFAOYSA-N 254.717 3.987 30 20 CHED O=C1/C(=C\c2nc(Cl)cs2)CCc2ccc(O)cc21 794960184 NIUKDKACEBPRPZ-UITAMQMPSA-N 291.759 3.715 30 20 CHED CCOCCON=C1CCC(C)(C)c2ccccc21 794858999 DFEMEJCRFBSSBE-UHFFFAOYSA-N 261.365 3.515 30 20 CHED CCCCCCCCN1CCC(O[C@H]2CCOC2)CC1 748832772 NKXWKBYWQANACM-KRWDZBQOSA-N 283.456 3.617 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)CC2CCC2)s1 797570578 IAKGTSRFGOWKHG-NSHDSACASA-N 276.405 3.807 30 20 CHED C#C[C@@H](NC(=O)N(CCC)Cc1ccc(C)cc1)C(C)C 798555790 RKBDHMSQBCDPFN-QGZVFWFLSA-N 286.419 3.574 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)CC[C@@H](C)CC 796641940 NCWXWAVQVKRRLI-LBPRGKRZSA-N 277.339 3.603 30 20 CHED CO[C@H]1CCC[C@@H](CC(=O)OCCCCC(C)(C)C#N)C1 796063530 RJTIWBYRTQQVKV-CABCVRRESA-N 295.423 3.845 30 20 CHED C=CC[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1 668493349 MYDWLJLORMDDOD-GFCCVEGCSA-N 262.422 3.809 30 20 CHED C=CCN(CC=C)CCCOc1ccc(Cl)cc1 674709412 MJJGJMQWEBATKJ-UHFFFAOYSA-N 265.784 3.783 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(C#N)cn1 584816373 OXOXCWHLWKFFPR-LBPRGKRZSA-N 285.778 3.800 30 20 CHED C[C@H](CNC(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 734641922 JKSKKVOTQSHDRC-GFCCVEGCSA-N 273.380 3.556 30 20 CHED CCC1CCC(N(C)C(=O)CC#Cc2ccccc2)CC1 1319311921 IUWLUBUGNHCZPQ-UHFFFAOYSA-N 283.415 3.855 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(C)CC1 1318597863 UZHOKKHMNQFDEE-NSHDSACASA-N 289.404 3.755 30 20 CHED Cc1cc(=NCC(C)(C)C2CCCCC2)c(C#N)c[nH]1 1612152004 NCHUPRGJNZYDOV-UHFFFAOYSA-N 271.408 3.702 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1324583553 NAZBOOQLFRQIIR-JTQLQIEISA-N 284.762 3.806 30 20 CHED Cc1ccccc1CCN(C)Cc1ccc(C#N)cc1C 1170593829 OVYAYMWFISZMJP-UHFFFAOYSA-N 278.399 3.850 30 20 CHED Cc1c[nH]c2ccccc2c1=NCC(C)(C)CCC#N 1327095401 JFRUMLPKUREJAL-UHFFFAOYSA-N 267.376 3.707 30 20 CHED C=C[C@@](C)(CC)c1nnc(-c2cccc(N(C)C)c2)o1 1327833894 MGQVYHHRNNVMAH-INIZCTEOSA-N 271.364 3.656 30 20 CHED Cc1cc(C#N)nc(N[C@@H](c2ccccc2)[C@H]2CCCO2)c1 1334140439 JYHICKNXVPNQIN-AEFFLSMTSA-N 293.370 3.594 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 1338840303 ZSFGPGTVQCIGGC-OAHLLOKOSA-N 293.794 3.676 30 20 CHED C=CCn1c([C@@H](C)C(C)C)nnc1N1Cc2ccccc2C1 1262996152 WBDPULOCPRRWQO-AWEZNQCLSA-N 296.418 3.744 30 20 CHED Cc1c(C#N)cccc1C(=O)OC[C@]1(C)CC1(Cl)Cl 1348045922 JFTHCCRJAAQWJW-ZDUSSCGKSA-N 298.169 3.607 30 20 CHED CC[C@H](Nc1ccc(C#N)c(C)n1)c1ccc(F)cc1 1343743835 TUAVRNHXYHBXGU-HNNXBMFYSA-N 269.323 3.964 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1nc(CC)cs1 1263639845 QNLHHCCWICMZKL-GFCCVEGCSA-N 279.409 3.668 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 1347326665 KSZKZGLBNVTDEX-ZDUSSCGKSA-N 291.391 3.626 30 20 CHED CC(C)c1scnc1C(=O)OCc1ccc(C#N)s1 1346541242 TWUPPUZUBNCDJQ-UHFFFAOYSA-N 292.385 3.557 30 20 CHED COc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1C 1435361505 FZCCUWDTPPQULA-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)CCCC(=O)c1ccccc1 1516904756 LOLAXFDODHIXJS-HNNXBMFYSA-N 287.359 3.521 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1cccc(C(C)C)c1 1517047226 SWUXYMPKQSDPPI-OAHLLOKOSA-N 281.359 3.516 30 20 CHED COc1ccc(C)cc1NCc1cccc(C#N)c1F 223727118 DNZSGQYWGIWMMV-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=C[C@H](CC)CC(=O)OCCC[C@@H]1CCCCC1=O 1525784746 ZUSSECFAFFXWOH-KGLIPLIRSA-N 266.381 3.671 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cc(Cl)ccc2F)c1 1528455882 FXRNZIOCVDEKOX-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@@H](OC(=O)c1csc(C#N)c1)c1nc2ccccc2o1 1520012255 VDENPZYOOIXUHI-SECBINFHSA-N 298.323 3.679 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 1535893438 YLGKJZQPKCZQKB-IAGOWNOFSA-N 294.329 3.748 30 20 CHED CCc1nc(C#N)cc(N[C@H](C)c2cc3ccccc3o2)n1 1612254988 HMLGNEFUNRFJLN-LLVKDONJSA-N 292.342 3.830 30 20 CHED C=CC[C@H](C)NCc1ccc(N2CCCCC2)cc1 116926816 ZMAOINNNAVOVBW-HNNXBMFYSA-N 258.409 3.731 30 20 CHED CSC1(CNc2ccc(C(F)(F)F)cc2C#N)CC1 227990254 PFWHRSOLKRAOLN-UHFFFAOYSA-N 286.322 3.885 30 20 CHED Cc1cc(CN(CC2CCC2)CC2CC2)ccc1C#N 1621284139 MZNSTKFSMGUTJA-UHFFFAOYSA-N 268.404 3.879 30 20 CHED C[C@H]1CC(C)(C)C[C@H]1NCCc1ccc(C#N)cc1 1621004398 WITYHCWFJTUKNN-XJKSGUPXSA-N 256.393 3.515 30 20 CHED CC1(C)CCC(CNC(=O)c2ccccc2CC#N)CC1 1633411530 WSJBNYSOVDWDQC-UHFFFAOYSA-N 284.403 3.699 30 20 CHED C=CCN(C(=O)c1cc(C)cc(C(=O)O)c1)c1ccccc1 1573360531 RHWGBJOSCRIXCU-UHFFFAOYSA-N 295.338 3.526 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccsc2C#N)CC1 1585597284 PUUIAUICZRNUFP-QWHCGFSZSA-N 290.432 3.954 30 20 CHED C[C@]1(c2ccccc2)CC[C@@H](N2CCC[C@H](C#N)C2)C1 1658883820 NMOYYECXMAPYEK-NXHRZFHOSA-N 268.404 3.732 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)C#N)c1OCc1ccccc1 1597665167 ZIOHEHYFFFBPGY-AWEZNQCLSA-N 294.354 3.672 30 20 CHED CC[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CC1(C)C 1673777682 XQTIQKKKSLFPKY-RCBQFDQVSA-N 299.418 3.743 30 20 CHED CS[C@H]1CCCCN(CCCC(C)(C)C#N)C1 134550031 WSSVTEHMUVXHNG-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED CC(CC(C)(C)C)=NNc1cccc(C(=O)O)c1C 1776088110 QHACQGAGEYDPAP-UHFFFAOYSA-N 262.353 3.917 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccc(/C=C/C(=O)O)o2)c1 1776133714 MTDLCUDDCFYCKK-FKJILZIQSA-N 296.322 3.890 30 20 CHED C=C(C)CCCN1CC[C@H](c2ccccc2C(=O)O)C1 1776138686 DIMYHQFIXXOKFC-AWEZNQCLSA-N 273.376 3.530 30 20 CHED Cc1c(NN=C[C@@H]2CCC[C@@H](C)C2)cccc1C(=O)O 1776087021 DLCCVZSEGFZOPY-DGCLKSJQSA-N 274.364 3.917 30 20 CHED C#Cc1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 14849700 KYGNZNCHAAJSAI-UHFFFAOYSA-N 299.395 3.592 30 20 CHED C=CCN(C)C(=O)c1cnc(-c2ccccc2Cl)s1 161927427 WPWRCFCFDBJODC-UHFFFAOYSA-N 292.791 3.722 30 20 CHED C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1ccccc1 158719606 FEIYYDSGJBTALC-GFCCVEGCSA-N 282.368 3.678 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](CC)c1c(C)noc1C 160316113 QGPGHQJEFOSQPA-AWEZNQCLSA-N 276.380 3.627 30 20 CHED C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C#N)C(C)(C)C 155280567 ICKGHAORYCOPCC-FZMZJTMJSA-N 292.810 3.573 30 20 CHED C=CCN(C)C(=O)N[C@H](CCC)c1ccc(F)cc1F 155456091 PTEWIOUOVQWYDH-CQSZACIVSA-N 282.334 3.633 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1C 156560853 YRPQXLKXXTVGFT-UHFFFAOYSA-N 297.329 3.707 30 20 CHED C#CCCCCNC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 154947149 WWFTUIAGHOJAAZ-AEFFLSMTSA-N 298.430 3.625 30 20 CHED COc1cc(C#N)ccc1OCCOc1c(C)cccc1C 11798907 CUMIUKXYNCMNNX-UHFFFAOYSA-N 297.354 3.642 30 20 CHED COc1cc(C#N)ccc1NCc1c(F)cccc1Cl 127987008 RQGAHCPHWOLREG-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCc1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])s1 48559963 OLHPHCATTRRNSK-UHFFFAOYSA-N 287.344 3.702 30 20 CHED CCN(CCOc1cccc(C#N)c1)Cc1cccs1 48331293 PBPMIEKREHJGEU-UHFFFAOYSA-N 286.400 3.521 30 20 CHED CN(C(=O)c1ccc(F)cc1Cl)c1cccc(C#N)c1 49121454 CQWZJENYEAKULW-UHFFFAOYSA-N 288.709 3.627 30 20 CHED N#C[C@H]1CCC[C@@H]1NC1CC(c2ccccc2Cl)C1 61891939 NZCCXMHCYNJBQF-OCLKLICZSA-N 274.795 3.868 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)CN1Cc1ccccc1 301641446 YZWPDTMMEHBDIU-DNVCBOLYSA-N 291.398 3.633 30 20 CHED Cc1cc(NCC[C@@H](C)c2ccccc2)cc(C#N)n1 308278442 NVQTUAAXCCZURY-CYBMUJFWSA-N 265.360 3.867 30 20 CHED Cc1nc(NCC(C)(C)c2ccccc2)ccc1C#N 312299949 NMFKAXKQQQMBOX-UHFFFAOYSA-N 265.360 3.651 30 20 CHED OC1=NC[C@H](/C(O)=N/[C@H]2CCCCC23CCCC3)CC1 328678758 SXWAQMNWKYYTBS-OLZOCXBDSA-N 278.396 3.812 30 20 CHED C[C@@H]1CC[C@H](N(C)c2nc(C(F)(F)F)ccc2C#N)C1 428672588 MEOYRKGRWGFMRN-KOLCDFICSA-N 283.297 3.597 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1ccc(C#N)cn1 562039760 PENVCYIWGWCTTR-XYPHTWIQSA-N 271.408 3.504 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H](C)[C@H]1CCCN 693894120 MYIPDVDWRYCXTF-HZPDHXFCSA-N 282.472 3.713 30 20 CHED C=CCCCCCCNC(=O)Cc1sc(S)nc1C 394051946 QGIYSFZSVQQDAD-UHFFFAOYSA-N 298.477 3.535 30 20 CHED C[C@H](C#N)N(C)C(=O)CC(c1ccccc1)c1ccccc1 57605919 LILHEASTDZFCRC-OAHLLOKOSA-N 292.382 3.579 30 20 CHED O=C1/C(=C\c2ccc(F)c(F)c2)Cc2ccccc21 104376965 XJTYITRVRMWOSV-GHXNOFRVSA-N 256.251 3.787 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 176862183 OXQWVTJEBUHHBE-HEHGZKQESA-N 290.382 3.883 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(Br)cc1 116995850 BWWDUEZFZUHMDO-VIFPVBQESA-N 283.169 3.535 30 20 CHED C[C@@H](NC(=O)CSc1ccccc1C#N)c1ccccc1 172680651 OZRSLILRSIYFNR-CYBMUJFWSA-N 296.395 3.528 30 20 CHED Cc1cccc(C)c1[C@H](C)OC(=O)c1ccc(C#N)c(C)n1 179321355 AIBZTXRVYPTZOG-AWEZNQCLSA-N 294.354 3.797 30 20 CHED C=CCn1c(C)nnc1SCCOC1CCCCCC1 118609978 LSNBXGYGEKZINW-UHFFFAOYSA-N 295.452 3.604 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nc2c(s1)CCCCC2 170699087 VDORPIGIYGWFGG-UHFFFAOYSA-N 293.436 3.842 30 20 CHED COc1ccccc1C[C@@H](Nc1ncccc1C#N)C(C)C 301499911 WMQOKEJPZKAGKZ-MRXNPFEDSA-N 295.386 3.641 30 20 CHED Cc1ccccc1O[C@@H](C)CNc1ccc(C#N)cc1 301475814 WJKOJEZMYMKZTB-AWEZNQCLSA-N 266.344 3.746 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccsc1 118628189 CNAHZASBUOEHFW-UHFFFAOYSA-N 259.330 3.565 30 20 CHED CC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)C1CCCCC1 1359883372 NKFQFVSAUYACAA-QGZVFWFLSA-N 284.403 3.955 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@@H](C)C1 177666217 XPXPVBMVQZMWIE-CHWSQXEVSA-N 286.375 3.722 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1ncc(C)s1 176540861 KVVMHJUEMHBARC-ZDUSSCGKSA-N 295.452 3.900 30 20 CHED C[C@H](NCCCCC#N)c1cnc2ccsc2c1 178647753 NYMMHXYZTYMZQS-NSHDSACASA-N 259.378 3.641 30 20 CHED Cc1cc(NCc2ccc(C(F)(F)F)cc2)cc(C#N)n1 308276121 GJAZLYJULBWNCT-UHFFFAOYSA-N 291.276 3.893 30 20 CHED O=C(Cc1ccsc1)OCC#Cc1ccc(Cl)cc1 177898732 JQURPVXODWAERP-UHFFFAOYSA-N 290.771 3.539 30 20 CHED Cc1nnc(SCc2ccccc2C(C)(C)C#N)s1 129139278 UIQXZSQUFOHFML-UHFFFAOYSA-N 289.429 3.940 30 20 CHED CSc1ccccc1CN(C)c1cc(C)ncc1C#N 425260772 PCFGBTCXWZXWLK-UHFFFAOYSA-N 283.400 3.620 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCCCCCO)c1 129098347 ARHSLPMQLKWQTM-UHFFFAOYSA-N 286.297 3.542 30 20 CHED Cc1ccc(CC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 122463975 MDAQAKPNZCGPGN-UHFFFAOYSA-N 295.386 3.604 30 20 CHED N#Cc1c(F)cccc1NCCOc1ccccc1Cl 301787677 XJJYDMVCKAHRCN-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C[C@@H](CCC#N)Sc1ncc(-c2ccccc2)n1C 188265697 RQHRSKPXEPOGJF-LBPRGKRZSA-N 271.389 3.871 30 20 CHED N#CC1(C(=O)N2CC[C@@H](Cc3ccccc3)C2)CCCCC1 126207642 KOCDQCVWIUPSCU-KRWDZBQOSA-N 296.414 3.552 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2=CCCCC2)cc1 126125435 WEYVTFADLORKGK-UHFFFAOYSA-N 268.360 3.927 30 20 CHED CC[C@H](C#N)NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 123577818 FQOZQDAODUBWQG-CHWSQXEVSA-N 298.308 3.617 30 20 CHED N#CCSc1cccc(C(=O)N2CCCCCCC2)c1 79382287 FSJXCENTOGWFQZ-UHFFFAOYSA-N 288.416 3.709 30 20 CHED CC[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)[C@H]1CC1(C)C 416087193 XODGVZMBHCFRMA-CVEARBPZSA-N 296.414 3.531 30 20 CHED CCCCC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 500298918 OHXJIACOKWWDCD-UHFFFAOYSA-N 272.392 3.733 30 20 CHED C#CCCCCC(=O)N1CCCCC[C@@H]1c1ccco1 180208172 YDJDKKPJVZWQKB-OAHLLOKOSA-N 273.376 3.917 30 20 CHED Cc1[nH]c(SCCCC#N)nc1-c1ccccc1 187145868 ZEFWFTWYNCSUML-UHFFFAOYSA-N 257.362 3.781 30 20 CHED Cn1c(-c2ccccc2)cnc1SCCCCC#N 125886053 JADLSXYVKDLDKQ-UHFFFAOYSA-N 271.389 3.873 30 20 CHED C=CCCCN(C)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 125747915 CXTSISIPMBJAJU-SJORKVTESA-N 286.419 3.930 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 417372380 VYHCDFQIWMMLBB-OWQGQXMQSA-N 279.387 3.608 30 20 CHED Cc1cccc(OC[C@@H](C)Nc2cccc(F)c2C#N)c1 507019769 AQBLAHSBOXMKGD-CYBMUJFWSA-N 284.334 3.885 30 20 CHED CN(CCC1(C#N)CCCCC1)C(C1CC1)C1CC1 411226375 SVUAVMRNBLHIGK-UHFFFAOYSA-N 260.425 3.971 30 20 CHED CC[C@H](C#N)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 122214640 MFBLBZBIVLELGI-OLZOCXBDSA-N 294.782 3.612 30 20 CHED Cc1cc([C@H](C)NCC#Cc2ccc(F)cc2)c(C)o1 183781618 PPSCRPZVLVQWAG-ZDUSSCGKSA-N 271.335 3.738 30 20 CHED CCC(C)(C)CC(=O)Nc1cc(C#N)ccc1OC(F)F 73075791 GRRMNTYWGDNICN-UHFFFAOYSA-N 296.317 3.924 30 20 CHED COc1cc(CNc2ccccc2C#N)c2c(c1)C[C@H](C)O2 414302366 KQGSVBACRGCGIX-LBPRGKRZSA-N 294.354 3.502 30 20 CHED N#CCCCN1CCC(c2ccc(Cl)cc2)CC1 185797099 YGUJJYKIIGOHRT-UHFFFAOYSA-N 262.784 3.823 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@](C)(C=C)CC 187846304 CDDVMRMUIIBNES-SFHVURJKSA-N 287.403 3.812 30 20 CHED CC(C)(C#N)CCC[S@@](=O)CCCc1ccccc1 414302899 WPLRGYMYHMPXGB-IBGZPJMESA-N 277.433 3.698 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(O[C@H](C)CC)cc1 410121146 JFYVPHATYSYFPL-HIFRSBDPSA-N 275.392 3.948 30 20 CHED C=CCC1(C(=O)N[C@@H]2COCc3ccccc32)CCCCC1 416077863 JKYGMFHAGVCQNL-QGZVFWFLSA-N 299.414 3.901 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1nc(-c2cccc(F)c2)no1 185090193 KOWYXANILXLYGQ-VXGBXAGGSA-N 289.354 3.881 30 20 CHED CCCOc1ccc([C@H](C)N[C@H](C)CCC#N)cc1OC 411459898 ZUYWGNKOCJJDLV-KGLIPLIRSA-N 290.407 3.827 30 20 CHED N#Cc1ccc(COc2ccc3c(c2)CCCC3=O)cc1 44745880 BOYGOBOOVIZFGL-UHFFFAOYSA-N 277.323 3.656 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 182407036 JBSPBCCRFPCNKV-UHFFFAOYSA-N 274.320 3.610 30 20 CHED CC1(C)CC[C@@H](CSCc2ccc(F)cc2C#N)O1 184821759 BWOWITJVXOEXNT-AWEZNQCLSA-N 279.380 3.888 30 20 CHED N#Cc1ccc(CSc2ccc(C#N)cc2)cc1 79647995 XDEQCCVMCDECDR-UHFFFAOYSA-N 250.326 3.722 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)c(F)c1C 412961342 HNGFWNQQQNWVDV-UHFFFAOYSA-N 265.303 3.980 30 20 CHED CCC(CC)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 505954113 LQPRCSYOGRYYRM-ZDUSSCGKSA-N 298.308 3.822 30 20 CHED CCOc1ccc([C@@H](C)Nc2ncccc2C#N)cc1OC 47511467 RQYRTUJJGNFHMD-GFCCVEGCSA-N 297.358 3.534 30 20 CHED C=CCN(C(=O)c1csc(C2CC2)n1)c1ccccc1 194801666 MQAUTGWMLZWMDE-UHFFFAOYSA-N 284.384 3.853 30 20 CHED CCc1ccc(-c2ccc(C(=O)N(C)[C@H](C)CC#N)o2)cc1 80027924 BAFPFSVLYTXUSU-CYBMUJFWSA-N 296.370 3.883 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1OC)c1ccccc1 130301653 BOSSZGQGZCFLGP-QGZVFWFLSA-N 280.371 3.808 30 20 CHED OC1=N[C@@H](/C(O)=N/C2(c3ccc(F)cc3)CC2)CCCC1 329876155 HNSNWZREWWMWGC-CYBMUJFWSA-N 290.338 3.670 30 20 CHED Cc1cc2occ(CC(=O)O[C@@H](C#N)C(C)C)c2cc1C 80383929 HQIRLNGJZOGYPJ-INIZCTEOSA-N 285.343 3.684 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(c2ccccc2)CC1 424557087 HEAZKMKTWXIDHQ-UHFFFAOYSA-N 271.404 3.995 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(-n3ccnc3)c(F)c2)C1 193186239 FQNUVPMTSAHRGU-STQMWFEESA-N 284.338 3.506 30 20 CHED N#Cc1ccc(NC(=O)c2ccsc2)c(Cl)c1 225780611 HDKXAZXQWVVOPA-UHFFFAOYSA-N 262.721 3.525 30 20 CHED CCCC[C@H](Nc1ccc(C(C)(C)C#N)cc1)C(=O)OC 135154815 PFGOXXSBLVULJZ-HNNXBMFYSA-N 288.391 3.631 30 20 CHED Cc1nc(C(C)C)oc1CN[C@H](C)c1ccc(C#N)cc1 428314542 LCPDUWUVTSZAHE-GFCCVEGCSA-N 283.375 3.829 30 20 CHED N#Cc1cc(Br)ccc1N1C[C@@H]2CCC[C@H]2C1 130467785 ASNQWLLTMLWBGT-QWRGUYRKSA-N 291.192 3.557 30 20 CHED N#Cc1cnc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c(Cl)c1 513604072 TVAQBQREVJEKIE-HYFYGGESSA-N 287.794 3.843 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(CN(C)CCCC)CC1 135056913 SSHKIZNZUYVUFO-GOSISDBHSA-N 294.483 3.559 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(O)cc1SC 424805324 PGXGHXPESJRMAV-UHFFFAOYSA-N 265.378 3.655 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 424671501 HBNZERBMTJDTNN-ZBFHGGJFSA-N 271.404 3.993 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](c1cccnc1)C(C)C 135104201 BNJHYXNDZSYECC-NVXWUHKLSA-N 274.408 3.540 30 20 CHED N#C[C@H]1CC[C@H](Sc2ccc3c(c2)OCCCO3)C1 336193127 GWEWZIVHXHGNEB-RYUDHWBXSA-N 275.373 3.632 30 20 CHED CCc1nc(C)c(/C(O)=N/CCOC2CCCCC2)s1 330558337 GUSJCKJXVKJWJQ-UHFFFAOYSA-N 296.436 3.668 30 20 CHED CC(=O)CCCSc1ccc(C#N)cc1Cl 339031799 HTJQGAPOMMRGHS-UHFFFAOYSA-N 253.754 3.673 30 20 CHED C[C@H](C#N)CNCCCc1c(Cl)cccc1Cl 193312598 DLHZVQRJHLLNNY-SNVBAGLBSA-N 271.191 3.675 30 20 CHED Cc1cc(N[C@@H](C)CC#N)c([N+](=O)[O-])cc1C(F)(F)F 338663549 YZONJGIQBHUGSW-QMMMGPOBSA-N 287.241 3.636 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC(C)(C(C)C)CC1 337876837 ZKRASVIQISHBTF-UHFFFAOYSA-N 288.439 3.604 30 20 CHED CCC1CC(=O)C(=CNc2ccc(Cl)cc2)C(=O)C1 194956328 ILVHHYJXHPLFKH-UHFFFAOYSA-N 277.751 3.594 30 20 CHED CC(C)n1ncc2ccc(NC(=O)C3(C#N)CCCC3)cc21 195368145 YXYDLGJQJOPCHH-UHFFFAOYSA-N 296.374 3.640 30 20 CHED N#CCc1ccc(NCc2ccc3cnccc3c2)cc1 236242185 PTSOQSUGVZDDOB-UHFFFAOYSA-N 273.339 3.913 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1nccc(C#N)c1Cl 233989283 IRXFSVWSZBIDGH-VHSXEESVSA-N 251.761 3.843 30 20 CHED CCCCn1ncc(N=C(O)N2CCC[C@@H](C)[C@H]2C)c1C 330611722 QGNDRUAJPYBWMM-CHWSQXEVSA-N 292.427 3.658 30 20 CHED CC(C)c1cccc(N=C(O)c2c[nH]nc2[C@@H]2CCOC2)c1 330349494 JYESIIZZAOVSIS-CYBMUJFWSA-N 299.374 3.673 30 20 CHED Cc1cccc(C)c1NC(=O)c1cccc(C#N)c1C 337749345 IFOXRQUZNUEIAV-UHFFFAOYSA-N 264.328 3.736 30 20 CHED COCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 338362639 RMFIETFDFAUZAU-HNAYVOBHSA-N 294.398 3.987 30 20 CHED CCC(CC)S[C@@H](C)C(=O)NC1(C#N)CCCCC1 519967962 CSODPYKWZZVYQS-LBPRGKRZSA-N 282.453 3.639 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCCC(C)(C)C1 535911865 YNOWAAWHHGYYFC-CQSZACIVSA-N 278.440 3.991 30 20 CHED COC1(C(O)=Nc2scnc2C2CC2)CCCCC1 330062733 PKYJSFUDSDGORW-UHFFFAOYSA-N 280.393 3.958 30 20 CHED C[C@@H](NCC1(CC#N)CC1)C(C)(C)c1ccccc1 430721275 BUKXINBXVGOBOU-CQSZACIVSA-N 256.393 3.636 30 20 CHED CCC(=O)c1cccc(N=C(O)N[C@H]2CC[C@H](C)C2)c1 331290547 JYIVZJWXVMNIRO-FZMZJTMJSA-N 274.364 3.603 30 20 CHED Cc1nc(NC(=O)C(C)(C)C#N)ccc1-c1ccccc1 336017789 YFJMHXXJNTWZIH-UHFFFAOYSA-N 279.343 3.545 30 20 CHED CCN(CC#Cc1ccc(F)cc1)[C@@H](C)c1cccc(O)c1 438127566 MHKFVLUPDVPZQP-HNNXBMFYSA-N 297.373 3.966 30 20 CHED Cc1ccc(Cl)cc1CNc1nccc(C)c1C#N 341527096 HSVCMLPNTFWEDK-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1sc(CCC)nc1C 439389712 SRXVDAWSYAGIPV-LLVKDONJSA-N 281.425 3.880 30 20 CHED CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cccc(C#N)c1C 431715313 ZIBSLBOYLJNLFD-RISCZKNCSA-N 271.364 3.519 30 20 CHED C=CCN(C(=O)CCc1cccs1)c1ccccc1 248011280 RHVLSDMPQQBVCZ-UHFFFAOYSA-N 271.385 3.900 30 20 CHED CC#CCN(C)C(=O)c1ccc(Cl)cc1SCC 341015401 FUAMSAFTIAAJID-UHFFFAOYSA-N 281.808 3.547 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 522122787 VYLVTRCOUFABHO-UHFFFAOYSA-N 299.761 3.662 30 20 CHED C=CCCc1ccccc1NC(=O)c1cnn(C2CC2)c1 529274599 OMRAXSMBAOXXMK-UHFFFAOYSA-N 281.359 3.589 30 20 CHED C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc2n[nH]cc2c1 343950437 AAQSSFQPTJAWHR-VIFPVBQESA-N 297.749 3.656 30 20 CHED Clc1cccc(OCCON=Cc2cccs2)c1 250119871 QVVPNOSPPDYMNJ-UHFFFAOYSA-N 281.764 3.831 30 20 CHED N#CCC1(CN[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 430751189 SZFCEVAPXZMVMM-KRWDZBQOSA-N 295.361 3.594 30 20 CHED COCc1cccc(/C=C\C(=O)c2cccc(F)c2)c1 255667925 AXIYLJVWMJXGKX-HJWRWDBZSA-N 270.303 3.868 30 20 CHED C[C@@H](CCC#N)CNc1ccc([C@H]2CCOC2)cc1 602677123 TYTACTKGOIDCOG-ZFWWWQNUSA-N 258.365 3.542 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1 255480770 QCOSBPMQMZHFDX-UITAMQMPSA-N 283.352 3.915 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cccc3ccccc23)C1 349799128 GUNZQPQAODQZDV-CJNGLKHVSA-N 250.345 3.622 30 20 CHED O=C(/C=C\c1csnn1)c1ccc(-c2ccccc2)o1 255005365 XGBSDHLWVWHRGM-SREVYHEPSA-N 282.324 3.694 30 20 CHED C=CCCN(C)Cc1cnc(-c2ccsc2)s1 343473160 RKEREUOFJQPWHC-UHFFFAOYSA-N 264.419 3.880 30 20 CHED Cc1ccc(C=NOCc2ccc(F)cc2C#N)cc1 255131273 UWSHOSFKMRWXPN-UHFFFAOYSA-N 268.291 3.557 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C\c1cccs1 255547916 YJVNXMDOSFDVBD-VURMDHGXSA-N 275.348 3.849 30 20 CHED COc1ccc2oc(/C=C\C(=O)c3cncc(F)c3)cc2c1 255616585 VZZBBOADLXKVNA-RQOWECAXSA-N 297.285 3.872 30 20 CHED COC(=O)[C@@H](C)c1ccc(-c2ccc(C)c(C#N)c2)s1 600793683 LDQALUSHSMMRIX-NSHDSACASA-N 285.368 3.872 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc2c(Cl)cccc2s1 608815462 ZTWNVGUTWMKULF-SECBINFHSA-N 292.791 3.977 30 20 CHED CCOc1ccc(C#N)cc1NCCCc1ccc(C)nc1 354657813 CCOFBHLBGFTEFE-UHFFFAOYSA-N 295.386 3.705 30 20 CHED C=CCCC1(C(=O)Nc2ccc(N3CCCCC3)cn2)CC1 354933372 VUQUNPQGXQSKFM-UHFFFAOYSA-N 299.418 3.757 30 20 CHED C=C(C)Cn1c(C)nnc1N1CC2(CCC2)c2ccccc21 359104001 BMRRRFJQZUYRIW-UHFFFAOYSA-N 294.402 3.736 30 20 CHED C[C@H](N[C@H](C#N)C1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2 609676969 JCFZBUKESZZEMG-XSIBGMEISA-N 260.425 3.873 30 20 CHED CSc1cccc(F)c1CNCc1cccc(C#N)c1 352899336 QNJRPLXUFJVOOG-UHFFFAOYSA-N 286.375 3.709 30 20 CHED COc1cc(C)ccc1CNC1(c2cccc(C#N)c2)CC1 449198810 DLPXFRSVGISDSC-UHFFFAOYSA-N 292.382 3.654 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCC[C@H]2SCC)CC1 356311491 VSJHLXBIUPDATN-CHWSQXEVSA-N 267.438 3.523 30 20 CHED CO[C@@H]1CCOc2c(NCc3ccccc3C#N)cccc21 447890733 ZBMLSVZTMOVIQN-QGZVFWFLSA-N 294.354 3.640 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCc2c(Cl)cccc21 538603652 DBVWLMVLSJXIQW-NHYWBVRUSA-N 292.810 3.981 30 20 CHED N#Cc1ccncc1N[C@@H]1CCC[C@@H]1c1ccccc1 536706446 ICNIAMNUFZCKSO-HZPDHXFCSA-N 263.344 3.701 30 20 CHED C=CC[C@@H]1N(C(=O)NCCCOC(C)C)CCCC1(C)C 444887529 NPGBMNCAPZDLOP-HNNXBMFYSA-N 296.455 3.578 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2nc(C)oc2c1 268169323 PQNPWVZISCKVSB-UHFFFAOYSA-N 270.332 3.843 30 20 CHED C=C(C)COCCN[C@H]1CC(C)(C)c2ccccc21 539063464 GIULWSDVLBWLEX-INIZCTEOSA-N 259.393 3.591 30 20 CHED Cc1cc(Cl)cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 531657344 HYNPBFVOVOSXEV-ZBEGNZNMSA-N 290.794 3.851 30 20 CHED N#CC1(F)CCN(Cc2csc(C3CCCC3)n2)CC1 352491757 SCOKONBAKFOGSH-UHFFFAOYSA-N 293.411 3.628 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(SC)c(Cl)c1 353666766 QIXSDFYTKYCHAF-ZDUSSCGKSA-N 282.796 3.940 30 20 CHED Cc1cc(C(F)(F)F)ccc1CNc1cccnc1C#N 357679775 KBRFHMHJBXFTEU-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(C#N)c(OC)c1 443069570 PJWWQRJAHSUXQS-UHFFFAOYSA-N 296.370 3.602 30 20 CHED N#Cc1c(F)cccc1OCC#Cc1cccc(Cl)c1 611112743 GCJCRWNNVWJFEC-UHFFFAOYSA-N 285.705 3.781 30 20 CHED Cc1cc([C@H]2CCCN2Cc2ccc(C#N)cc2C)on1 614397671 NERPPROSVZJMSM-MRXNPFEDSA-N 281.359 3.500 30 20 CHED CCOCc1ccc(NCC(C)(C)CCC#N)cc1 355396393 ADLQIBWGBAQFGX-UHFFFAOYSA-N 260.381 3.965 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)NCC#Cc1cccc(F)c1 451507556 LSYQZFSAFVSETK-RDJZCZTQSA-N 287.378 3.510 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(O)c(OC)c2)no1 268197974 YDCRPABTXBGMHP-UHFFFAOYSA-N 286.331 3.687 30 20 CHED C=CCOc1ccc(-c2nc3cnccc3[nH]2)cc1Cl 533908170 SCHICAKWKJQUDB-UHFFFAOYSA-N 285.734 3.843 30 20 CHED CC#CCCCC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 368771347 XRUHTJQWSHZMIE-UHFFFAOYSA-N 294.398 3.555 30 20 CHED C=CCC1(NC(=O)Cc2ccccc2Cl)CCCC1 619105665 GZEMLISEMQPIGU-UHFFFAOYSA-N 277.795 3.888 30 20 CHED CCn1c(S[C@H]2CC[C@@H](C#N)C2)nc2ccccc21 278547830 KWOJBQBMPVNCFZ-NEPJUHHUSA-N 271.389 3.841 30 20 CHED C=CCn1c(C)cc(C(=O)CN2CCC(C)=C(C)C2)c1C 361623991 PFJJCVKQELBHEX-UHFFFAOYSA-N 286.419 3.516 30 20 CHED N#CCc1ccc(CN2CC[C@@H]2Cc2ccccc2)cc1 543208188 OAPMJCUWIBLGKJ-LJQANCHMSA-N 276.383 3.570 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1cc(C)ccc1C)OCC 270024538 JUEYZUXYQLJWFO-MRXNPFEDSA-N 275.392 3.638 30 20 CHED C[C@@]1(C#N)CCCN(c2ccc3ccc(F)cc3n2)C1 612107482 GCKYZBNWILVCML-INIZCTEOSA-N 269.323 3.504 30 20 CHED N#CC[C@@H](CC(=O)Nc1ncccc1Cl)c1ccccc1 361839079 GPRQRNORVGFITR-ZDUSSCGKSA-N 299.761 3.761 30 20 CHED C=C(C)COc1cccc(NC(=O)NOC2CCCC2)c1 271636833 AAMRIMOWUQTARR-UHFFFAOYSA-N 290.363 3.637 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H]1CCc2ccccc21 458984490 GNCQQJDHCNBAPK-HNNXBMFYSA-N 272.392 3.528 30 20 CHED COc1cc(C#N)ccc1NC(=O)CCCC1CCCC1 546710190 JRGZMSHYMRLKID-UHFFFAOYSA-N 286.375 3.866 30 20 CHED CC(C)C1CCC(NC(=O)N2CCC(CC#N)CC2)CC1 543779583 JBAVFIUVCNSVAP-UHFFFAOYSA-N 291.439 3.536 30 20 CHED C=C(C)CNC(=O)C(C)(C)c1cccc2ccccc12 450778699 MDADNKXCLVZADN-UHFFFAOYSA-N 267.372 3.810 30 20 CHED Cc1ccccc1C[C@H]1CCCN1c1nccc(C)c1C#N 543136418 SKUAJGMBDLDRHJ-QGZVFWFLSA-N 291.398 3.782 30 20 CHED CCC[C@H](NC(=O)NCc1ccc(C#N)cc1)C(C)(C)C 454270070 HPPOKSKXOMVOJI-HNNXBMFYSA-N 287.407 3.572 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 450973735 SYDVCTAVHYZZBP-UMPJEAMMSA-N 276.424 3.647 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 542716832 ICPWWSODGWPHJA-MNOVXSKESA-N 278.783 3.766 30 20 CHED C=CCN(C(=O)COC/C=C\c1ccccc1)C(C)(C)C 622944167 HSAYYOVCRXMTMO-XFXZXTDPSA-N 287.403 3.530 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2ccc(C#N)c(F)c2)c1 464640933 AIJADEFYFFYSQW-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccccc1C(F)(F)F 468108569 FPELMVMTHMULDY-OAHLLOKOSA-N 299.336 3.966 30 20 CHED CC[C@](C)(C#N)C(=O)NCC1CCC(C(C)C)CC1 552127791 VCGGNMPSIYOKAH-ZBCRRDGASA-N 264.413 3.505 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC(OCCC(C)C)CC1 466320771 OZVHBZQAQSYGKC-HNNXBMFYSA-N 296.455 3.578 30 20 CHED C[C@@H](C(=O)Nc1cccc2[nH]ccc12)c1cccc(C#N)c1 462037887 DEADRTAAMANGCA-GFCCVEGCSA-N 289.338 3.782 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2cc(Cl)ccc2s1 288680733 ZWVDLHKZYJECMU-ZDUSSCGKSA-N 293.779 3.828 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 284253720 QAOFEEAABOGGCQ-SZVBFZGTSA-N 296.414 3.620 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2CC)cc1 465044676 WNZPADXSJYXKSC-CZUORRHYSA-N 273.376 3.560 30 20 CHED C=CCC(C)(C)C(=O)NCCOc1ccccc1C(C)C 551014213 KOLIRFUOOSAZBZ-UHFFFAOYSA-N 289.419 3.907 30 20 CHED N#Cc1ccnc(N2CC[C@H](CSc3ccccc3)C2)c1 288228831 FDXHBRGSMCYXGK-HNNXBMFYSA-N 295.411 3.572 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1nc(C(C)C)oc1C 289856506 VIRRQLNAWBRYPI-UHFFFAOYSA-N 291.395 3.699 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(NC(=O)CC)ccc1C 468107685 HFHLYGDPMNVGEO-QGZVFWFLSA-N 288.391 3.884 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCOc1cccc(Cl)c1 555554522 LPANGLPGEQHNDP-AWEZNQCLSA-N 293.794 3.676 30 20 CHED N#Cc1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 556507124 QZBKSUHZWLDIRT-UHFFFAOYSA-N 282.309 3.723 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NC2(C3(C)CC3)CC2)cc1 556545357 WJULRDSIYPFWJT-UHFFFAOYSA-N 297.402 3.942 30 20 CHED N#CC1(C(=O)O[C@@H]2CCc3cc(Cl)ccc32)CCC1 803359395 WDQKNEXOJBWPAP-CYBMUJFWSA-N 275.735 3.564 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@H]2Cc2ccccc2)c1 479132723 WOQRFELDCILHDW-KRWDZBQOSA-N 280.346 3.514 30 20 CHED Cc1cccc(OC(=O)[C@]2(C#N)CC23CCCC3)c1C 297852852 NVKAAZSMXSKXES-QGZVFWFLSA-N 269.344 3.683 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 809287579 FQBYPSZEJFDVAX-UONOGXRCSA-N 263.425 3.709 30 20 CHED C[C@H](C#N)OCCSCc1ccc(Cl)s1 802749360 AWCKGBURKFDUAJ-MRVPVSSYSA-N 261.799 3.563 30 20 CHED C#C[C@H](N[C@H](C)C[C@H]1CCOC1)c1ccc(Cl)cc1F 809698362 CVVGMAJDJZPKIF-HSMVNMDESA-N 295.785 3.558 30 20 CHED N#Cc1ccc(/C=C/c2ccnc(Cl)c2Cl)nc1 806567316 VGRGHFYMCBLDCU-DUXPYHPUSA-N 276.126 3.825 30 20 CHED C=CCCC1(C(=O)NCc2ccc(C)cc2C)CC1 474696584 RWYVDBHHINFPSH-UHFFFAOYSA-N 257.377 3.666 30 20 CHED Cc1cc(NC(=O)CCCC#N)c(F)cc1Br 292298861 MSBICPRJSAPSBZ-UHFFFAOYSA-N 299.143 3.529 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1 397760802 KYZAPKUZUIUMGT-AWEZNQCLSA-N 293.370 3.997 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)Cc1nc2ccccc2s1 294754091 PMRUYBWAGBTQRE-NSHDSACASA-N 288.416 3.556 30 20 CHED CC(C)=CCNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 479853130 ONOSQTGIHXEALN-UHFFFAOYSA-N 299.418 3.692 30 20 CHED CCc1c(C)sc(NC(=O)[C@]23CCC[C@H]2C3)c1C#N 563950104 HEMBXDJENOSZGB-BONVTDFDSA-N 274.389 3.619 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C=C/c2cccs2)cc1 809257411 DFHCPKMRKJLJEM-ZNFPLGDCSA-N 296.395 3.705 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)OC3(CCCC3)C2)CCCC1 648700553 IPDASKYECKYNAN-HNNXBMFYSA-N 291.435 3.683 30 20 CHED Cc1ccc2c(C=NNCC3CCCC3)c[nH]c2c1 808008833 XKNBVUZVSCFGQM-UHFFFAOYSA-N 255.365 3.590 30 20 CHED C(=NNc1nccnc1C1CCC1)C1CCCCC1 807993882 IKCJDACASJDIIH-UHFFFAOYSA-N 258.369 3.722 30 20 CHED N#CCCCC(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 294309321 VEKNHIBDDTYLPU-GFCCVEGCSA-N 296.292 3.763 30 20 CHED Cc1cc(OC(=O)[C@@H]2CC2(Cl)Cl)c(C)c(C)c1C#N 809035376 AROXWRSPYOEWRT-NSHDSACASA-N 298.169 3.583 30 20 CHED CCCN(CCO[C@H](C)C#N)Cc1c(F)cccc1Cl 801914608 YPUMXMLQEROAJR-GFCCVEGCSA-N 298.789 3.620 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1c(F)cccc1Cl 807939736 CTRUVHCTJYSSSW-UHFFFAOYSA-N 292.745 3.722 30 20 CHED C#Cc1ccc(CNCCCSCC(C)C)cc1 809629392 OLSORXHZRCOGFR-UHFFFAOYSA-N 261.434 3.537 30 20 CHED CC#CCCNC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 482853125 FXVAUUMDQSVWIF-OAHLLOKOSA-N 290.382 3.626 30 20 CHED CC(=NOCC1CC1)c1ccc2cc(O)ccc2c1 814243487 YXCNRVOEVFAHSI-UHFFFAOYSA-N 255.317 3.696 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)[C@@H](C)CCCCC(=O)O 814917465 LTTQKISUAMFRLU-GXTWGEPZSA-N 282.428 3.812 30 20 CHED C#CCC1(c2nc(-c3ccc(C)c(C)n3)no2)CCCCC1 817094342 VMJTWQFOEQJJCY-UHFFFAOYSA-N 295.386 3.974 30 20 CHED C(=NOC1CCC1)c1ccc(OCc2ccncc2)cc1 812235550 KEUVGPLDUZWELG-UHFFFAOYSA-N 282.343 3.564 30 20 CHED CCCOc1ccc(NC[C@@H](C#N)CCC#N)c(C)c1 819420115 OMNRLDIZFCJJLW-CQSZACIVSA-N 271.364 3.639 30 20 CHED CCCC(=NOCC(F)(F)F)c1ccc(OC)cc1 814880097 QTYHBSFIEXFAFR-UHFFFAOYSA-N 275.270 3.778 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)OCC1(CC#N)CC1 815965013 ZQECFJOUYGTVRZ-UHFFFAOYSA-N 286.375 3.618 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1(CC=C)CCC1 485602258 UOGOSISVRPMLQT-UHFFFAOYSA-N 283.415 3.990 30 20 CHED C[C@H]1C[C@H](CSCc2ccc(CC#N)cc2)CCO1 485580981 ZWBGYOMTAAMKSZ-XJKSGUPXSA-N 275.417 3.801 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1C 488289420 FNXUYTFIHUZFNQ-WMLDXEAASA-N 256.393 3.672 30 20 CHED Fc1ccc(C(C[C@@H]2CCCO2)=NOC2CCC2)cc1 812235039 JCEACWZVHTVLGP-HNNXBMFYSA-N 277.339 3.668 30 20 CHED Cc1ccc(C(C)C)c(OC(=O)c2cccc(C#N)n2)c1 810524913 ZNUWWKYQOIVOFO-UHFFFAOYSA-N 280.327 3.604 30 20 CHED COc1cccc(O)c1C=NNc1ccc(Cl)cc1 812486326 KPNKOCYWEVIDGN-UHFFFAOYSA-N 276.723 3.500 30 20 CHED N#CCCN(C(=O)CCC1CCC1)c1ccc(F)cc1 573510911 KBGVZMMCZZANCX-UHFFFAOYSA-N 274.339 3.653 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1CCc1ccccc1 815061235 NJDGIUWPFJPBCF-HNNXBMFYSA-N 293.357 3.822 30 20 CHED CC(C)c1cnc(CN2CCC(CCC#N)CC2)s1 574811327 JIIIJMOSQRWBFY-UHFFFAOYSA-N 277.437 3.782 30 20 CHED CCCC[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cn1 727255035 HXPNWRDDZVQTHS-NSHDSACASA-N 276.340 3.748 30 20 CHED CCOc1ccc(NN=C(C)c2cccc(OC)c2)cc1 814984553 BOIMPUMGEIDVGU-UHFFFAOYSA-N 284.359 3.930 30 20 CHED C=C(C)CN(C)CCOc1ccc(C(F)(F)F)cc1 481316720 KXRWDLOSKPSNKP-UHFFFAOYSA-N 273.298 3.592 30 20 CHED Cc1ccccc1-c1csc(NC(=O)C#CC(C)C)n1 826901716 CFAQADMBHDPKSJ-UHFFFAOYSA-N 284.384 3.716 30 20 CHED COC(=O)Nc1cccc(OCc2ccc(CC#N)cc2)c1 495141634 UBNSDWCISHDLAQ-UHFFFAOYSA-N 296.326 3.510 30 20 CHED CCC(CC)(C(=O)N(C)CC(C)(C)C#N)c1ccccc1 497402640 VWKBFUZYYIBUTB-UHFFFAOYSA-N 286.419 3.753 30 20 CHED C[C@@H](NC(=S)Nc1ccc(F)c(C#N)c1)c1ccccc1 728176997 VTFQSJBOLRQHBP-LLVKDONJSA-N 299.374 3.745 30 20 CHED CC(C)[C@@H]1N(C(=O)NCC(C)(C)CCC#N)CC12CCC2 491149656 QOPUCKDOVVSASQ-AWEZNQCLSA-N 291.439 3.536 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1C 728438212 CBBRJMZCGZIQSL-ZZXKWVIFSA-N 286.302 3.744 30 20 CHED C=CCC1(NC(=O)Nc2scnc2CC)CCCC1 666417177 ZEDCEVNBWCMCQO-UHFFFAOYSA-N 279.409 3.716 30 20 CHED CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 498537763 BXZPTGZEPWSDDL-MRXNPFEDSA-N 297.333 3.527 30 20 CHED C=C(C)CCN[C@@H](CO)c1cccc(Cl)c1Cl 662050240 FPTADZMEHQRLJG-LBPRGKRZSA-N 274.191 3.583 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1cc(F)c(F)cc1F 588618434 RYTIXUVYMLMTIP-WAYWQWQTSA-N 287.240 3.872 30 20 CHED C=CCC1(NC(=O)Nc2cccc(OC)c2F)CCCC1 822666056 AYBKQKVZNQXQRY-UHFFFAOYSA-N 292.354 3.845 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@]2(C)CC2(Cl)Cl)c1 828798536 LZSJVFDVVIFVRL-ZDUSSCGKSA-N 297.185 3.757 30 20 CHED CC#CCCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 499035004 BLEXFSOXHVBVSO-UONOGXRCSA-N 296.197 3.627 30 20 CHED Cc1n[nH]c(C)c1CNc1ccc(OC(C)(C)C)c(C#N)c1 824722861 YCHYPXIZPJUSSJ-UHFFFAOYSA-N 298.390 3.688 30 20 CHED C=C(Cl)CN1CCC[C@H]1c1ccc(F)c(F)c1 733030341 STHYWHOXUYNWNO-ZDUSSCGKSA-N 257.711 3.854 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@@H](O)c1ccsc1 739427758 YGTSYCGUPWDIEH-BDLODKHMSA-N 297.379 3.759 30 20 CHED C#CCCCNC(=O)Nc1cc(C)ccc1C(F)(F)F 825435977 MNBINRFYWKFVBE-UHFFFAOYSA-N 284.281 3.549 30 20 CHED CCCC[C@](C)(F)C(=O)N[C@@H](C)c1cccc(C#N)c1 829334522 HHKRVTMMUWWISU-LRDDRELGSA-N 276.355 3.654 30 20 CHED C=CCC(C)(C)CNCCC(=O)Nc1cccc(F)c1C 583626417 QZTWQMBJYJCQMQ-UHFFFAOYSA-N 292.398 3.655 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ncc(Cl)n2C)cc1C 834408005 FYBKHAIOQXEOQL-AATRIKPKSA-N 288.778 3.895 30 20 CHED Cc1ccc(NN=Cc2c(C)nn(C(C)C)c2C)cc1F 901264899 OLCINHPTIGMCMG-UHFFFAOYSA-N 288.370 3.974 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1c(CC)cc(C)cc1CC 491361137 IZTABDGRATYTMA-ZDUSSCGKSA-N 272.392 3.605 30 20 CHED C=CCCCCNc1ccc(OCc2nc(C)no2)cc1 834551617 HVXDHIXUUQUDRT-UHFFFAOYSA-N 287.363 3.725 30 20 CHED C=CCCC[C@H](NCC1CCC(C)(C)CC1)C(=O)O 900069240 WBZNRQVYQFRWNG-AWEZNQCLSA-N 267.413 3.602 30 20 CHED C=CCC1(CNC(=O)CCCCN2CCCC2)CCCC1 836991534 WCVXLWAGYGQNDO-UHFFFAOYSA-N 292.467 3.505 30 20 CHED C=CCC[C@H](NC(=O)N[C@]12CCC[C@@H]1C2)c1ccccc1 664497046 NIHGUGILTYXKKY-RYRKJORJSA-N 284.403 3.936 30 20 CHED C=CC(C)(C)COC(=O)[C@@H](C)Cc1cnc2ccccc2n1 835722342 RUJHYNLUEPOSTP-ZDUSSCGKSA-N 298.386 3.564 30 20 CHED N#Cc1ccc(NCCNc2ccccc2)cc1Cl 736294856 QEADYUUTLNTKLY-UHFFFAOYSA-N 271.751 3.736 30 20 CHED CC1(c2ccccc2)CC(=NNc2ncc(F)cc2F)C1 835022433 JUKITBPSOKJFOI-UHFFFAOYSA-N 287.313 3.879 30 20 CHED C[C@H]1/C(=C\c2cccc(C3CC3)c2)C(=O)c2nccn21 901566142 RFJWYXCNVMTTQO-KBVGCWLLSA-N 264.328 3.601 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1ccc(Cl)cn1 835332596 YFHWRZGLOVLDJX-SECBINFHSA-N 253.729 3.551 30 20 CHED C=CCC1(NC(=O)Nc2ccc(C)cc2C)CCOCC1 665123062 AFMIPEJBUMHHTE-UHFFFAOYSA-N 288.391 3.550 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(C(F)(F)F)cn1 903008475 PDHLNIVLJQULHJ-SNVBAGLBSA-N 272.314 3.963 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1ccc2c(c1)CCCC2 580864219 IBXJDTIEBFRCRC-RDTXWAMCSA-N 273.420 3.543 30 20 CHED CCSc1cccc(/C=C2\CCn3ccnc3C2=O)c1 901536034 OQTDXESCCHISOQ-JLHYYAGUSA-N 284.384 3.665 30 20 CHED CCCCCCCC(=O)NCCC1CC(F)(F)C1 837222284 XZQGTPNFLIOHCR-UHFFFAOYSA-N 261.356 3.899 30 20 CHED C=CCCN(C)C(=O)c1cccc(SC(F)(F)F)c1 832799082 PXPSKQIVZBJNAM-UHFFFAOYSA-N 289.322 3.947 30 20 CHED O=C(/C=C/c1cccc(Cl)c1)c1ccc2nc(O)[nH]c2c1 834827643 KVXSRQATJPRQJX-QPJJXVBHSA-N 298.729 3.818 30 20 CHED C=C(Cl)CNC(=O)/C=C/c1ccccc1O[C@@H](C)CC 736240929 UQUCMDRWOHEEIX-LXKVQUBZSA-N 293.794 3.746 30 20 CHED N#CC1(CCCCn2ccc3sccc3c2=O)CCC1 901529514 FQTPSYOHBSRVHZ-UHFFFAOYSA-N 286.400 3.927 30 20 CHED Cc1ncc2c(n1)CCC[C@@H]2Nc1cc(Cl)ccc1C#N 736295589 WXPRSDDZOSVYMO-HNNXBMFYSA-N 298.777 3.800 30 20 CHED Cc1cccc2c1CCCN2Cc1ccc(OCC#N)cc1 734001094 IFNDPVBKPGUDDQ-UHFFFAOYSA-N 292.382 3.850 30 20 CHED C#CCC(C)(C)COC(=O)[C@@H](CC)CC(F)(F)F 835279999 ORWCWUAJVPKVHH-JTQLQIEISA-N 264.287 3.558 30 20 CHED CCC(Cc1cccs1)=NN[C@H](C)C(F)(F)F 835000212 JQGGMCRFHOMKEY-MRVPVSSYSA-N 264.316 3.597 30 20 CHED CC(=NNc1nccc2sccc12)c1ccc(N)cc1 915980325 UEGSJQUZJSBWTL-UHFFFAOYSA-N 282.372 3.715 30 20 CHED CCCCCCCOC(=O)c1ccccc1CC#N 919034485 MUBLYYNHWQSCNF-UHFFFAOYSA-N 259.349 3.880 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)C(=O)C#CC(C)(C)C 837657066 WJTMZQCVRAGRJZ-MRXNPFEDSA-N 287.403 3.654 30 20 CHED C=CCc1cc(OC)cc(CN(C)Cc2ccccc2)c1O 732408671 YJZCMWRVEOYPDB-UHFFFAOYSA-N 297.398 3.761 30 20 CHED CCn1nccc1/C=C/C(=O)c1cccc(C2CC2)c1 834444384 BHQLWLGTQVARIS-CMDGGOBGSA-N 266.344 3.677 30 20 CHED Cc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)nc1 591970223 DVNGHLBCRHIJKZ-UHFFFAOYSA-N 280.375 3.566 30 20 CHED C=C(CNC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccccc1 672480084 DCZLYHKTDAZYJP-INIZCTEOSA-N 295.382 3.592 30 20 CHED C#CCCOC(=O)Cc1coc2ccc3ccccc3c12 918501788 KKZIXUYHGBQIJT-UHFFFAOYSA-N 278.307 3.695 30 20 CHED C=CCN(C(=O)Cc1coc2cc(C)ccc12)C(C)C 914683034 BTDGRKHGOHYVJU-UHFFFAOYSA-N 271.360 3.707 30 20 CHED C=CCN(Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)C 595763974 UKODSAGUOMXTCO-UHFFFAOYSA-N 266.316 3.520 30 20 CHED C#CCOc1ccc(C(=O)Nc2ccccc2CCC)cc1 741533116 CFQCVUKGMDYIQO-UHFFFAOYSA-N 293.366 3.903 30 20 CHED C#CCN(C(=O)c1cccc2c1CCC2)C1CCCCC1 743689760 ADWPRVPAEACDAS-UHFFFAOYSA-N 281.399 3.583 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)c2ccc(OC)cc2)c(O)c1 745624347 JTQHDUCYQOTYGH-QXGSTRBFSA-N 299.370 3.980 30 20 CHED C=C[C@@H](C)NC(=O)c1cnc(-c2ccccc2Cl)s1 674952636 MWYHCGIMCRNUJD-SECBINFHSA-N 292.791 3.768 30 20 CHED Clc1ccc(NN=Cc2cccc3ccccc23)nn1 916288220 PJOLVOCDTNHTGY-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C=C(C)CNC(=N)NC[C@@H]1CCCC[C@H]1C(C)(C)C 849063628 NRVTUOLIYHYYQC-UONOGXRCSA-N 265.445 3.529 30 20 CHED CCc1ccccc1NN=C(C)c1ccccc1[N+](=O)[O-] 915051723 ORDLEDSNTHVNGS-UHFFFAOYSA-N 283.331 3.993 30 20 CHED N#CCCCCCC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 676329213 UDZSLMNTKANVJJ-CYBMUJFWSA-N 296.370 3.567 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1ccccc1Cl 741766084 IOZLAWKNBSBTBS-UHFFFAOYSA-N 295.173 3.928 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCC[C@H](C)C3)[nH]c12 744160126 KNYIKECGQVYYDV-IACUBPJLSA-N 295.386 3.874 30 20 CHED C=CCC[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccccc1OC 840669119 MSQLOUWWQPGSAT-AEGPPILISA-N 274.360 3.697 30 20 CHED N#CC[C@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 597173896 MYUFXFGRKFXVLT-CYBMUJFWSA-N 289.448 3.926 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)c1 749315099 AJAXRBRDCSTZFK-SFHVURJKSA-N 293.366 3.772 30 20 CHED CC(C)=CCC[C@H](C)NCCc1ccc(C#N)cc1 595058185 YZMRXECTMODONX-HNNXBMFYSA-N 256.393 3.825 30 20 CHED CCC[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)OC 840707119 NPMPFLADDFZCPS-PFJSLNBISA-N 290.190 3.933 30 20 CHED CCN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@@H](C)C#N 598353535 KZGBBEWUDBYGGS-AWEZNQCLSA-N 296.370 3.640 30 20 CHED CC[C@H](C#N)C(=O)N(CC)[C@H](CC)Cc1ccc(C)cc1 593489351 QUUMZOSPBPRUGZ-IAGOWNOFSA-N 286.419 3.714 30 20 CHED CCCCC[C@H](NC(=O)[C@H](C#N)CC)c1ccccc1 845423958 FSJDPNYPUPTTFI-HOCLYGCPSA-N 272.392 3.974 30 20 CHED COC[C@@H](C)N(CCCCC#N)[C@H]1CCc2ccccc21 599681468 FHJZZCPVEZZNDW-QAPCUYQASA-N 286.419 3.705 30 20 CHED CC(C)c1ccccc1/C=C1/CCc2c(cnn2C)C1=O 848638151 CLVGJWGOGMNCHE-UVTDQMKNSA-N 280.371 3.756 30 20 CHED C#CCN(CC)C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 749614582 DPBAXCBTRZVDJP-INIZCTEOSA-N 286.419 3.747 30 20 CHED C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CC1(C#N)CC1 595520119 YBOQKAZZUVSLMY-JTQLQIEISA-N 288.782 3.513 30 20 CHED Cc1c(C=NN(C)C[C@H](C)O)sc2c(Cl)cccc12 841654009 VUFQFFPSUOJTNR-VIFPVBQESA-N 296.823 3.510 30 20 CHED Cc1cnc(C2CCN([C@@H](C#N)c3ccccc3)CC2)s1 595460064 SZQDPCBVVJLIJD-INIZCTEOSA-N 297.427 3.896 30 20 CHED N#CCCCCSCCc1noc2ccccc12 594562517 QVNHHCAXFLXERD-UHFFFAOYSA-N 260.362 3.797 30 20 CHED N#CCSCCCS[C@H]1CCc2ccccc2C1 594907806 IDZSLCFQUHQVRZ-HNNXBMFYSA-N 277.458 3.924 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCOc2c(F)cccc21 926242308 QAEXTDBHEHFRNP-BXUZGUMPSA-N 276.355 3.567 30 20 CHED CC[C@H](NC(=S)N(C)CC(C)(C)C#N)c1cccs1 840748244 CMUNVYDGVFQMPL-NSHDSACASA-N 295.477 3.555 30 20 CHED CC(C)CCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842937100 DWBOLJJZGXGIRG-NSHDSACASA-N 262.378 3.633 30 20 CHED CCCCNN=C(C)c1sc(-c2cccnc2)nc1C 747611826 XICRQNBLBLVLRL-UHFFFAOYSA-N 288.420 3.627 30 20 CHED Cc1ccc(N(CCC#N)C(=O)/C=C\c2ccco2)cc1 920955294 PZMGRNPJVJFCJX-KTKRTIGZSA-N 280.327 3.548 30 20 CHED CCCCCCCCCNC(=O)C[C@@H]1CCCCO1 755132573 WBXATLIEYWEVGE-HNNXBMFYSA-N 269.429 3.812 30 20 CHED Cc1cc([C@@H](C#N)C(=O)[C@H]2CC[C@H](C(C)C)CC2)nc(C)n1 753533284 NURAMRKFNKSBJT-BZUAXINKSA-N 299.418 3.732 30 20 CHED CC(CC1CCOCC1)=NNc1cc(F)c(F)c(F)c1 757585182 YPJWQLFJXUPZTO-UHFFFAOYSA-N 286.297 3.708 30 20 CHED CCCCCCCCNC(=O)c1c(C)nsc1NC 755216620 UTDIZIJEBQZGFT-UHFFFAOYSA-N 283.441 3.584 30 20 CHED C=CCC(C)(C)CN[C@H]1CCc2ccc(Cl)nc21 857913427 VFDKFEZYOFXEGE-LBPRGKRZSA-N 264.800 3.914 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H](O)c1ccc2ccccc2c1 925012823 JDWYLWLIJGJNBR-RDTXWAMCSA-N 296.414 3.791 30 20 CHED Cc1nc(C=NOCc2ccc(C(F)(F)F)cc2)[nH]c1C 853323055 NMDVGCLHCXXOCC-UHFFFAOYSA-N 297.280 3.596 30 20 CHED C#C[C@H](CC)NC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 754393472 AFEMUYUUUOHBRN-QLFBSQMISA-N 269.388 3.504 30 20 CHED N#CCOc1ccc(CN2CCCC23CCCCC3)cc1 759386198 GZMTZPWQCOOEDM-UHFFFAOYSA-N 284.403 3.888 30 20 CHED C[C@H](C#N)OC(=O)Cc1cc2c(ccc3ccccc32)o1 753444002 QJULNFOGJJILMC-LLVKDONJSA-N 279.295 3.584 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(C)c(F)c1)c1ccccc1 757599987 XCZOVVNYWHPPFD-QGZVFWFLSA-N 281.330 3.629 30 20 CHED CC(=NNC1CCOCC1)c1cc2cc(C)c(C)cc2o1 757585580 NEAGKFFSHBNDSG-UHFFFAOYSA-N 286.375 3.542 30 20 CHED Cc1cc(O)c(CN2CCC[C@@H](CC#N)C2)cc1C(C)C 853526754 YHUQFHFXWMMLPA-HNNXBMFYSA-N 286.419 3.950 30 20 CHED C=CC[C@@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 754340651 FYOOINWTDINAHN-QMCVQRASSA-N 254.377 3.501 30 20 CHED C[C@@H]1CC(=NNc2ccc(F)c([N+](=O)[O-])c2)C[C@@H](C)C1 769828402 GVIDODYMLIPQAM-UWVGGRQHSA-N 279.315 3.958 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCOC[C@H]1OCC 768528576 FKHPNDAGIDDKEG-HRCADAONSA-N 271.445 3.519 30 20 CHED CCCCCCCCNC1CCN(C2CC2)CC1 59141981 KSMLDHAZPQMBHA-UHFFFAOYSA-N 252.446 3.563 30 20 CHED C=CCN(C(=O)[C@H](C)OC1CCCCCC1)C(C)C 760354574 ABLFOXBKFNTBNF-AWEZNQCLSA-N 267.413 3.537 30 20 CHED C[C@H]1CCC[C@H](C=Nn2c(S)nnc2C(C)(C)C)C1 768351712 IKKSTIMQKLLDIT-QWRGUYRKSA-N 280.441 3.525 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CCC[C@H]1C 769439101 ACUGGCBUTOLLET-ZBFHGGJFSA-N 287.378 3.614 30 20 CHED C#Cc1ccc(C(=O)Nc2ccccc2NC(C)(C)C)cn1 760523512 CNJLJTQGMOYXOS-UHFFFAOYSA-N 293.370 3.526 30 20 CHED CCCC[C@@H](CCC)OC(=O)C1(C#N)CC(C)C1 767423582 NQBQEPBVKCWVAG-JVWICGRDSA-N 251.370 3.828 30 20 CHED CCc1ccc(/C=C\C(=O)c2cncc(C)c2)cc1 767367687 QCMARSYYOCXTNY-HJWRWDBZSA-N 251.329 3.849 30 20 CHED CC(C)CN(CCC#N)Cc1cccc2[nH]ccc12 768153807 KRVYWXCDOXXZQC-UHFFFAOYSA-N 255.365 3.540 30 20 CHED CC(C)(C)c1ccc(C(=O)OCC2(C#N)CCC2)cc1 768103565 NQOPEAAPGJWNNM-UHFFFAOYSA-N 271.360 3.835 30 20 CHED CC(C)CC1CCN(Cc2ccc(OCC#N)cc2)CC1 760923197 ZIRQATJJPHHOOA-UHFFFAOYSA-N 286.419 3.847 30 20 CHED Brc1cncc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)c1 762434323 NRTCYLBPHMZBHN-DCAQKATOSA-N 294.196 3.678 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(Cl)cc1C 767045453 GOACZFVXHJIOMB-UHFFFAOYSA-N 250.725 3.603 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)C(C)(C)C#N)c1 860622693 ABCZXLNKYPIXAK-AEGPPILISA-N 271.360 3.580 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CC)CCc1ccccc1 862689744 DKRNSZNCHSZOGO-AWEZNQCLSA-N 281.346 3.725 30 20 CHED Cc1nc(C)c(C=NNCc2ccc(Cl)cc2)s1 764714216 BSILDKPBWYACNQ-UHFFFAOYSA-N 279.796 3.537 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Oc2ccc(C#N)cc2F)C1 769738060 BXVMBWAZELZJAL-NEPJUHHUSA-N 275.323 3.819 30 20 CHED C#CCCCNc1cccc(OCC(F)(F)F)c1C 766728628 NZPPYWLFJOMKFV-UHFFFAOYSA-N 271.282 3.761 30 20 CHED C=CCN(C(=O)Nc1ccn(C2CCCCC2)n1)C1CC1 1116812942 MBAJUNYXAKBLCT-UHFFFAOYSA-N 288.395 3.571 30 20 CHED CN(C)c1cccc(Cl)c1CN1CCC[C@@](C)(C#N)C1 1116554807 GCHVVQZPSJTDEA-INIZCTEOSA-N 291.826 3.532 30 20 CHED CC(=O)[C@](C#N)(CCN(C)CC1CCCC1)c1ccccc1 878013617 BFLYDPMWUALVGP-LJQANCHMSA-N 298.430 3.549 30 20 CHED CC(C)[C@@H]1C[C@H]1COC(=O)c1cc2ccccc2n1CC#N 774861472 JJLMBZBVAHBJOX-GJZGRUSLSA-N 296.370 3.614 30 20 CHED C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C)CC)cc1 774577977 NCVIJTUYGANZNZ-CYBMUJFWSA-N 289.375 3.681 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccc(F)nc1 777467458 KGYVDZJMMSJSHZ-VURMDHGXSA-N 280.302 3.907 30 20 CHED C#CCCCCCC(=O)NCC[C@@H](C)c1ccccc1 779890415 KGWLUTXESBSKFA-MRXNPFEDSA-N 271.404 3.880 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(N2CCCC2)cc1 875411879 NNVBDFGNPCGSCQ-UHFFFAOYSA-N 286.375 3.522 30 20 CHED C=C(CC)COC(=O)c1nc(-c2ccccc2)oc1C 773423597 GWIFEGKMDAPFGJ-UHFFFAOYSA-N 271.316 3.773 30 20 CHED Fc1cccc2c1SCCC2=NOCCC(F)(F)F 777460246 NWLLJMOSQOTASX-UHFFFAOYSA-N 293.285 3.995 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C12CCC(CC1)C2 1116909257 RHBBJUUHFHUFEX-UHFFFAOYSA-N 269.344 3.606 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(C)cc1Cl 773464829 LFKBMQZGWPKBMH-UHFFFAOYSA-N 264.752 3.741 30 20 CHED C#CCCOc1ccc(CNc2cc(C#N)ccc2C)cc1 779590500 QIQKVUGEROTCPY-UHFFFAOYSA-N 290.366 3.881 30 20 CHED C#CC[C@H](NC(=O)N1[C@@H](C)CC[C@@H]1CC)c1ccccc1 772526295 LRUTVGDKYKVAHH-XIRDDKMYSA-N 284.403 3.724 30 20 CHED C[C@@H]1C[C@@H](NCc2cccc(OCC#N)c2)c2ccccc21 1117502852 CBMXFNUBPSXZKW-AUUYWEPGSA-N 292.382 3.927 30 20 CHED CC(=NNc1ccc(F)cc1F)C1CCSCC1 777417888 CPYHWERTNOHOLS-UHFFFAOYSA-N 270.348 3.896 30 20 CHED CCCN(Cc1ccc(C#N)cc1F)c1ccc(CN)cc1 775141127 WXZVRQGDVLRRKT-UHFFFAOYSA-N 297.377 3.573 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccccc1 773104598 FDISYWRYOCDHEU-SUMWQHHRSA-N 268.335 3.636 30 20 CHED C#CC[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 775397684 AEBANCWRUBRONE-MRXNPFEDSA-N 298.317 3.588 30 20 CHED FC(F)(F)CCON=C1CCCOc2ccccc21 777462769 LLSMWVLZOJLFCW-UHFFFAOYSA-N 273.254 3.532 30 20 CHED C=C[C@@](C)(O)c1cn([C@@H](C)c2ccc(C(C)(C)C)cc2)nn1 881281178 UBVVTDYVQVJTKQ-SCLBCKFNSA-N 299.418 3.578 30 20 CHED CCCC(=CC(=O)N(CC)C[C@@H](C)C#N)CCC 770663164 HQZMCAFPKWZOMO-ZDUSSCGKSA-N 250.386 3.521 30 20 CHED C#CCCCOC(=O)CCCSc1ccc(OC)cc1 781437684 SEDYZBDCLJNVDB-UHFFFAOYSA-N 292.400 3.524 30 20 CHED CCn1cc(C(=O)OC2(CC#N)CCC2)c2ccccc21 788145220 NQQLLTDZCKHGGF-UHFFFAOYSA-N 282.343 3.654 30 20 CHED C[C@H]1CC[C@H](CC(=O)OCCCC(C)(C)C#N)C1 784117812 NZWXVSZOQRFBGS-STQMWFEESA-N 251.370 3.686 30 20 CHED O=C(/C=C/c1cc(Cl)cs1)c1cscn1 782352857 WKDUUNIASQBZFJ-OWOJBTEDSA-N 255.751 3.754 30 20 CHED Cc1cccc2[nH]cc(CC(=O)OCCCC(C)(C)C#N)c12 783472192 HCLRVHAWIWJYOM-UHFFFAOYSA-N 298.386 3.892 30 20 CHED C=C1CCC(C(=O)NCc2ccccc2OC(F)F)CC1 887871093 NDGPDHCWGDOWCN-UHFFFAOYSA-N 295.329 3.651 30 20 CHED C=C(CC)C(=O)N[C@@H](CC)c1ncc(-c2ccccc2)[nH]1 1123603559 AVNXKGDRRWWOJJ-AWEZNQCLSA-N 283.375 3.610 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1ccnc(Cl)c1 782195463 YXPRMADLVSKDBF-BJMVGYQFSA-N 289.693 3.533 30 20 CHED COCC(=NNc1cc(F)c(F)cc1F)C1CCCC1 780227470 OZXPTKCITVOLAL-UHFFFAOYSA-N 286.297 3.708 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)c1csc(Cl)c1 787152696 ACXQATCPCYQOCT-UHFFFAOYSA-N 296.739 3.541 30 20 CHED C=C1CCC(C(=O)Nc2cc3c[nH]nc3cc2C)CC1 897547196 ORXNOMBGSCLNKB-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(O[C@@H](C)C#N)cc1 787308783 GEVNMIZCABDELK-HOCLYGCPSA-N 270.376 3.518 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2ccc(F)c(C)c2)no1 899998034 AUNOZYLYNPITFA-CYBMUJFWSA-N 275.327 3.540 30 20 CHED COc1cc(F)ccc1NN=Cc1cc(Cl)cs1 782284339 CGHSPYXKORAALD-UHFFFAOYSA-N 284.743 3.995 30 20 CHED C=C1CC(c2noc(C[C@@H](CC#N)c3ccccc3)n2)C1 896878328 XTCHKQIKDJFTDM-CQSZACIVSA-N 279.343 3.743 30 20 CHED C=C1CCN(C(=O)c2ccc(Br)c(C)c2)CC1 270239701 RYAVPGWHSNUMEI-UHFFFAOYSA-N 294.192 3.550 30 20 CHED CCC(C)(C)C(=O)OCc1ccc(Cl)cc1C#N 780038336 GINFRDIAAYYMFY-UHFFFAOYSA-N 265.740 3.691 30 20 CHED CCc1ccc(C(=O)/C=C/c2cn(C)nc2C2CC2)s1 899343907 HFPJEBZPWYXSGC-SOFGYWHQSA-N 286.400 3.818 30 20 CHED CC(C)COc1cccc(COC(=O)CC(C)(C)C#N)c1 793411375 RWGNGPJXIKGHKD-UHFFFAOYSA-N 289.375 3.704 30 20 CHED C=CCC[C@@H](C)NC[C@H](O)c1cccc(C(F)(F)F)c1 186003425 XOXSZJDINJRVEN-RISCZKNCSA-N 287.325 3.683 30 20 CHED C[C@H](CC#N)N(C)Cc1cccc(Oc2ccccn2)c1 891934479 UKHXMZOOULXWBB-CQSZACIVSA-N 281.359 3.608 30 20 CHED CCC1(CC)CCC(NC(=O)[C@@](C)(C#N)CC)CC1 517978309 YCWHRAFDUJUPKH-OAHLLOKOSA-N 264.413 3.791 30 20 CHED CCCCCCCC(=O)N[C@H](CCO)C1CCCCC1 725027041 IFZXSBLVYDBZBI-MRXNPFEDSA-N 283.456 3.794 30 20 CHED CCCCCCCCC(=O)OC[C@@H]1CCO[C@H]1C 793421045 FLSWJXARYDXSIC-KBPBESRZSA-N 256.386 3.705 30 20 CHED CC1(C)C[C@H](OC(=O)C2(C#N)CCCC2)c2ccccc2O1 799434238 CBIYWKZHINPJRQ-HNNXBMFYSA-N 299.370 3.916 30 20 CHED C/C(=C/Cl)CS[C@H](C#N)Cc1ccccc1 797809650 FBORJCCZUHBOII-ZWXCPPHNSA-N 251.782 3.997 30 20 CHED Oc1ccc2c(c1)CCCC2=NNc1cccc(Cl)n1 793161961 OBBKPINERLBSJV-UHFFFAOYSA-N 287.750 3.593 30 20 CHED c1cnc2c(c1)CCCC2=NNc1nccc2sccc12 799108449 AUPKFZKPIQSLMR-UHFFFAOYSA-N 294.383 3.844 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C(\C)c1ccc(F)cc1 798550960 JOGRVKJCBIFGLO-RUMSDORHSA-N 261.340 3.700 30 20 CHED C[C@@H](OC(=O)[C@@H]1Cc2ccc(F)cc21)c1cccc(C#N)c1 796074520 PRJGYTGBXXTDPJ-PIGZYNQJSA-N 295.313 3.641 30 20 CHED Cc1cc(C(=O)Nc2ccc(CC#N)cc2)c(C)s1 78980709 PXNCMXMBVSNPLZ-UHFFFAOYSA-N 270.357 3.683 30 20 CHED C#CCCCCN[C@H](C)c1cc(Br)cs1 194112646 JEEOYGPUVAVVIU-SNVBAGLBSA-N 286.238 3.965 30 20 CHED CC[C@H](C)NN=Cc1c(-c2ccccc2)nc2ccccn12 790184193 ZEQCSVXORUAECH-AWEZNQCLSA-N 292.386 3.723 30 20 CHED Cc1oc(C#N)cc1C(=O)OCCC(C)(C)c1ccccc1 799634745 CHHGHSZVOFNWFN-UHFFFAOYSA-N 297.354 3.984 30 20 CHED FCC[C@H]1CCCC1=NNCc1cnc2ccccc2c1 794917771 IQTFHXNTTVKUSM-CQSZACIVSA-N 285.366 3.840 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NNc2ncccc2C)c1 790185011 FGTXWHBYYCXSMB-UHFFFAOYSA-N 291.358 3.535 30 20 CHED N#Cc1ccsc1NC(=O)Nc1cccc2cc[nH]c12 1207294158 VUYVJVNDYMMURC-UHFFFAOYSA-N 282.328 3.745 30 20 CHED CSCCON=C(C)CCc1ccccc1F 794571914 IDNVHZASFJULNA-UHFFFAOYSA-N 255.358 3.514 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(O)c(C)c1 793175152 OYLLSTABQHGJQI-UHFFFAOYSA-N 275.739 3.585 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc(SC)c(F)c1 790191694 WASYXLXUXVOEAM-SECBINFHSA-N 254.374 3.660 30 20 CHED CC[C@H](C)[C@@H](NC(=O)c1ccc(C)c(C#N)c1)C(F)(F)F 799375451 AOMARGOLNUJULK-TVQRCGJNSA-N 298.308 3.574 30 20 CHED CO[C@H](CSCC1(CC#N)CC1)c1ccccc1 596360411 GWFPQFPRHFOPTD-CQSZACIVSA-N 261.390 3.801 30 20 CHED C=C[C@@H](C)OC(=O)c1ccccc1NC(=O)OC(C)(C)C 774223411 DLOHBMTZEZLUSC-LLVKDONJSA-N 291.347 3.765 30 20 CHED N#CC1(CNc2ccc(-c3ccccc3Cl)nn2)CCC1 1154995814 XCAVEZYMOCZWJF-UHFFFAOYSA-N 298.777 3.903 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c[nH]nc2c1 1307861875 ZQGGGPAOUSJEPM-ZDUSSCGKSA-N 290.370 3.628 30 20 CHED N#Cc1cnc(N2CC[C@H]3CCCC[C@H]3C2)c(Cl)c1 1321745215 ZGLZXMAXIAGZEF-OLZOCXBDSA-N 275.783 3.623 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 1312465726 WYWCDBWFNJLKBA-NHYWBVRUSA-N 292.810 3.752 30 20 CHED COc1cccc(O)c1/C=N\Cc1ccc2c(c1)CCC2 1317852076 GBKNEVVNQFTTDE-UNOMPAQXSA-N 281.355 3.509 30 20 CHED N#Cc1ccccc1NC(=O)c1cnn(C2CCCCC2)c1 1318366626 IQCXDVVZHNIGFM-UHFFFAOYSA-N 294.358 3.512 30 20 CHED CCCCCCCCc1nnc(-c2cccn2C)o1 1322232862 UDQMGTXMYGYDDA-UHFFFAOYSA-N 261.369 3.978 30 20 CHED N#CC1(COC(=O)c2ccc(-c3cccs3)s2)CC1 1320874743 OWNBJOUVQKCALB-UHFFFAOYSA-N 289.381 3.937 30 20 CHED N#Cc1cnc(SCC2CCCC2)c(Cl)c1 1643307487 RLKOYOPSKDGJKG-UHFFFAOYSA-N 252.770 3.889 30 20 CHED Cc1cc([C@@H](C)NCc2cccc(OCC#N)c2)oc1C 1321702363 YEMHUBTVRCQYMZ-CYBMUJFWSA-N 284.359 3.650 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](C2CC2)C1 1664234787 ZEJNBGJYAHQJIE-HUUCEWRRSA-N 270.376 3.948 30 20 CHED CCC[C@H](CC)C(=O)N(CCC#N)CC(C)(C)C 1264999908 HUAFPNYQKXYOLZ-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED C=C[C@H](COC)N[C@@H](c1cccc(OC(C)C)c1)C(F)F 1261553973 PPDYJABOVRKGMF-HIFRSBDPSA-N 299.361 3.571 30 20 CHED C=CCC1(C(=O)O[C@H](CC#N)c2ccco2)CCCC1 1345546319 DKXXLHDBNIADPP-CQSZACIVSA-N 273.332 3.914 30 20 CHED C(#Cc1nnc(-c2cc3ccccc3o2)o1)c1ccccc1 1261569053 SXDZNFKFDRUFOL-UHFFFAOYSA-N 286.290 3.883 30 20 CHED C[C@@H]1CCC(=NNc2ccc(C(C)(C)C)nn2)[C@H](C)C1 1342193827 BBAFUPKLGQVKDP-VXGBXAGGSA-N 274.412 3.998 30 20 CHED COc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)ccc1F 1341113512 YWRZTQJETJRLAE-ZZXKWVIFSA-N 298.313 3.665 30 20 CHED CCc1ccc(F)cc1C(=O)O[C@@H](CC#N)c1ccco1 1350312299 SPVLVXMCYLVSEN-HNNXBMFYSA-N 287.290 3.793 30 20 CHED Cc1cccc([C@H](C)CNC(=O)c2cc(C#N)ccc2F)c1 1435258484 WDKRGVNDVINZHR-CYBMUJFWSA-N 296.345 3.539 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1CC(C)C 1354423092 KCJIOENXAYIAAR-QZTJIDSGSA-N 298.430 3.979 30 20 CHED CC[C@@H](C)n1nccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 1435508484 JXWVFCRZAZGPGI-OLZOCXBDSA-N 297.358 3.644 30 20 CHED CC(C)C(CN(C)Cc1cccc(C#N)c1)C(C)C 1205076490 CSVQZTHDWBAAJR-UHFFFAOYSA-N 258.409 3.918 30 20 CHED CCCC[C@H](CC)CC(=O)Nc1cnc(OC)c(C#N)c1 1289071620 NBRIHMZHFWSCGR-LBPRGKRZSA-N 289.379 3.507 30 20 CHED N#CC1(CC(=O)NCCC2CCCCC2)CCCCC1 1526512897 FEJYLZZGYWRQEK-UHFFFAOYSA-N 276.424 3.937 30 20 CHED C=C(CNC(=O)c1cccc(F)c1C)c1ccccc1 1524586629 FQTJKHJKCCPKBG-UHFFFAOYSA-N 269.319 3.577 30 20 CHED N#Cc1ccc(C(=O)N2CCCCc3ccccc32)c(F)c1 1533294765 HIHPWKPXWCDURY-UHFFFAOYSA-N 294.329 3.680 30 20 CHED C=CCC[C@H](N[C@H]1CC[C@H](C(=O)O)C1)c1ccccc1 1602857207 NQWITHHTTYWIJM-JYJNAYRXSA-N 273.376 3.537 30 20 CHED Cc1cc(C(=O)O)ccc1[C@@H](C)NCC(C)(C)CCC#N 1600116230 JBRVZTZWNAPEDB-CYBMUJFWSA-N 288.391 3.674 30 20 CHED CSc1ccsc1C(=O)Nc1cc(C)cc(C#N)c1 1535892737 CPQDOSHESIKZDP-UHFFFAOYSA-N 288.397 3.902 30 20 CHED C=C(C)C[C@@H](C)C(=O)O[C@H](C(=O)O)c1cccc(Cl)c1 1602747731 ZQDZCUDUWXURRG-MFKMUULPSA-N 296.750 3.611 30 20 CHED COc1cc(CNC[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1C#N 1474131863 WZGACDIQQRNQLM-KEYYUXOJSA-N 286.419 3.729 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CCC[C@H]1CC 1627312509 ALRNWSWQMQWAJQ-CVEARBPZSA-N 278.440 3.991 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2c1ncccc1C#N 1559172122 RMQNYSVISRMRJB-UHFFFAOYSA-N 277.371 3.945 30 20 CHED CCc1c(NC(=O)CC(C)(C)C#N)cnn1C(CC)CC 1556458304 HNDQGCAGTYBZOC-UHFFFAOYSA-N 290.411 3.685 30 20 CHED Cc1ccnc(NC2(Cc3cccc(F)c3)CCC2)c1C#N 1639817128 UGOKHBHRXKFLPL-UHFFFAOYSA-N 295.361 3.978 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 1634291277 IZTXHOFTSZXFIT-CMPLNLGQSA-N 292.329 3.535 30 20 CHED N#Cc1cc(SCc2c(F)cccc2F)ccn1 1642750155 TZRMFEAXCBNLCL-UHFFFAOYSA-N 262.284 3.524 30 20 CHED Cc1cc(Nc2ccc3c(cnn3C(C)C)c2)ncc1C#N 1651511501 PSBAEUGGNOYJAW-UHFFFAOYSA-N 291.358 3.936 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCC[C@@H]2CCC(C)C)n1 1651482323 FQODUYIPVYKWHN-UKRRQHHQSA-N 286.423 3.927 30 20 CHED N#Cc1cc(=NCC2(Cc3ccccc3)CCCC2)cc[nH]1 1655332675 BRLCINNCHPYNOU-UHFFFAOYSA-N 291.398 3.590 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2sccc2C#N)s1 1663160104 VYMQSPASSBOZAF-UHFFFAOYSA-N 291.401 3.654 30 20 CHED CC1(C)C/C(=C\c2cc(C(=O)O)co2)C(=O)c2ccccc21 1593842372 KEDILBPVSSOBNS-YRNVUSSQSA-N 296.322 3.925 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 232696199 BUYXLGBMYQDSAM-OAHLLOKOSA-N 274.383 3.955 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(Cl)cc2)c1 124718882 LGKCUFNWEAWVJR-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC2CCC(CC)CC2)C1 1776153565 KUSWRABLLCBMRS-LEOMRAHMSA-N 293.451 3.946 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1ccc(C(=O)O)nc1 1776070244 CPLBGSAEDQIKRW-LLVKDONJSA-N 277.368 3.640 30 20 CHED C=CCCC1(C(=O)O)CCN([C@H]2C[C@H]2c2ccccc2)CC1 1776168445 PHSWWDSYFVVMQM-IRXDYDNUSA-N 299.414 3.676 30 20 CHED CCC(F)(F)C(C)(C)C=NNc1ccccc1C(=O)O 1776031295 YQPLDBQKPBGDLT-UHFFFAOYSA-N 284.306 3.854 30 20 CHED CC(C)[C@@H](NCc1ccc(C#N)o1)c1ccc(F)cc1F 150874871 OZJDNXMJWHCEGS-MRXNPFEDSA-N 290.313 3.916 30 20 CHED C=CCC(CC=C)C(=O)N1CCS[C@@H]2CCCC[C@H]21 151798352 AHPKFZMYKFWGQG-HUUCEWRRSA-N 279.449 3.641 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc(F)cc2F)CC1 152971579 YVUPHBRMFBKXNX-CYBMUJFWSA-N 294.389 3.656 30 20 CHED CC(C)OCc1ccc(Nc2cccc(C#N)n2)cc1 152161671 IGZODQPXWBHWAC-UHFFFAOYSA-N 267.332 3.622 30 20 CHED CN(CCC#N)[C@H]1CCc2c(Cl)cc(Cl)cc21 155246338 MXESDTJKZTZESB-ZDUSSCGKSA-N 269.175 3.826 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)Cc1cccc2ccccc12 154348215 MPUSAXJTQHFMIX-INIZCTEOSA-N 281.355 3.864 30 20 CHED C#Cc1cccc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c1 19876853 UMGNEKZQBXAOPA-BLLLJJGKSA-N 251.329 3.996 30 20 CHED C#Cc1ccc(CNC[C@@H]2CCCCC2(F)F)cc1 824542782 AZPIBLPKJGTZIC-HNNXBMFYSA-N 263.331 3.583 30 20 CHED C#Cc1ccc(CNC[C@H](CC)CC(F)(F)F)cc1 840960407 LALSIADGBSMIDI-CYBMUJFWSA-N 269.310 3.736 30 20 CHED N#Cc1ccc(COc2ccc(F)cc2F)c(F)c1 19804805 IQYHXXMCVVJCQA-UHFFFAOYSA-N 263.218 3.555 30 20 CHED N#Cc1cccc(OCCCSc2ccccn2)c1 37143615 MLOHKZBYDZSGBH-UHFFFAOYSA-N 270.357 3.514 30 20 CHED CC(C)C(C)(C)CNc1snc(Cl)c1C#N 302516397 VOMPAUHTTRHEJU-UHFFFAOYSA-N 257.790 3.762 30 20 CHED C=CC[C@@H](CC)NCc1ccc(Br)cc1 308903936 BZFYQDZQQICCCH-CYBMUJFWSA-N 268.198 3.893 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(Br)cc(C)c1O 309566908 MMNKKMXFTJDUJQ-NXEZZACHSA-N 284.197 3.688 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(F)cc1O 310855079 MTZIGBVJWNIBIT-LLVKDONJSA-N 251.345 3.784 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)o2)c(Cl)cc1F 311842738 QZMXVVJMXTYGTH-UHFFFAOYSA-N 278.670 3.505 30 20 CHED CCOc1ccccc1CNc1cccc(CC#N)c1 313452283 SZTOJBQEOMDIIN-UHFFFAOYSA-N 266.344 3.763 30 20 CHED N#CCc1cccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 701320963 KLJIYYZIZIESQH-UHFFFAOYSA-N 294.141 3.640 30 20 CHED CC(C)c1nc(CNCc2ccc(C#N)c(F)c2)cs1 702785567 POBMFTWPBFROHZ-UHFFFAOYSA-N 289.379 3.567 30 20 CHED C=CCCCCCN1CCC[C@H]1C1CCOCC1 488267314 VHEMAAXYUINCFL-INIZCTEOSA-N 251.414 3.624 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc(F)cc2Cl)c1 720294746 UGKGXVRJCLREDM-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1ccc([C@H](C)NCc2ccc(CC#N)cc2)s1 398972614 AGCTXAOKVPJLPG-ZDUSSCGKSA-N 270.401 3.973 30 20 CHED C=CCSCCN[C@H](C)c1ccc(OC)cc1C 414092995 LVPUUUVYAOFKBY-CYBMUJFWSA-N 265.422 3.573 30 20 CHED CC(C)N(CC#N)Cc1ccc(Cl)c(Cl)c1 52189745 JUCXGRREINANBL-UHFFFAOYSA-N 257.164 3.727 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@H]1C/N=C/c1ccccc1O 118169846 ZHJGOPMNJGFVEC-BPGDOXJDSA-N 275.392 3.652 30 20 CHED C=CCOCCCC(=O)Nc1cccc(C)c1Cl 175177145 QJVPVDCZWKKOPH-UHFFFAOYSA-N 267.756 3.570 30 20 CHED N#Cc1cc(F)ccc1CSCc1cn2ccccc2n1 176901680 FYSKTORFFAYIKD-UHFFFAOYSA-N 297.358 3.778 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1ccc(Cl)cc1)C1CC1 119968036 GRVJYTNCXDKFKG-CVEARBPZSA-N 279.811 3.708 30 20 CHED CC[C@H](CC(=O)N[C@H](C#N)c1ccccc1F)C(C)C 108798792 ZRJBRGLYTBRPAC-IUODEOHRSA-N 276.355 3.579 30 20 CHED C=CCOc1ccccc1CNCc1ccc(C#N)cc1F 105642875 RPSGZQHGAHLUMW-UHFFFAOYSA-N 296.345 3.552 30 20 CHED C=CCCCC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 175725340 GMVREVRSSRWKFU-SJORKVTESA-N 271.404 3.870 30 20 CHED Cc1ccc(CC(=O)Nc2cc(C#N)ccc2C)cc1C 50212897 ZHKXKCXPAQXFCV-UHFFFAOYSA-N 278.355 3.665 30 20 CHED CSc1ccc(C)c(C(=O)N(C)c2cccc(C#N)c2)c1 63830854 HMDXPUQPPBSUJD-UHFFFAOYSA-N 296.395 3.865 30 20 CHED N#Cc1ccccc1SCc1cccc(Cl)n1 173718217 CCYGUYJQEYJQAG-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Cc1ccc2cc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)[nH]c2c1 116808705 FUVMPFPNAOVMDX-UGSOOPFHSA-N 295.386 3.679 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2ncc3ccccn23)cc1 24845270 HGXOJWQZAHFFGS-MRXNPFEDSA-N 293.395 3.870 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@H]1C1CC1 176545137 CQFRWTKBDKETOZ-STQMWFEESA-N 295.835 3.962 30 20 CHED C=CCN(Cc1cccc(F)c1)Cc1cccc(C#N)c1 63300625 WIUCEFKJMSFSAX-UHFFFAOYSA-N 280.346 3.886 30 20 CHED Cc1ccc(-c2nc(/C=C/C(=O)c3cccnc3)co2)cc1 175315521 PPBOZFCKFRVEMP-CMDGGOBGSA-N 290.322 3.941 30 20 CHED C[C@H](Nc1cccc2c1OCCO2)c1cccc(C#N)c1 179998131 UENVTXGJXOQAGS-LBPRGKRZSA-N 280.327 3.503 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1F 171482368 HJNSHSWEGMRXMD-GFCCVEGCSA-N 294.285 3.765 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)CCc2ccc(C#N)cc2)C1 171516457 FWEVORZIVFBFAL-MSOLQXFVSA-N 298.430 3.822 30 20 CHED C=CCCC(=O)Oc1cc2oc(=O)cc(C)c2cc1CC 60364799 WYVLTVHWMBLGFN-UHFFFAOYSA-N 286.327 3.535 30 20 CHED C[C@@H](Cc1ccc(F)cc1)NCc1cc(C#N)ccc1F 62052918 HAQDIBXRRIVMFS-LBPRGKRZSA-N 286.325 3.557 30 20 CHED C[C@@H](NCCCCC#N)c1cnc2ccsc2c1 178647762 NYMMHXYZTYMZQS-LLVKDONJSA-N 259.378 3.641 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(C)noc1-c1ccccc1 185465689 XFAGBOABHNIBIU-NSHDSACASA-N 285.347 3.736 30 20 CHED CCc1ccc(CC/N=C(/N)Nc2ccc(C)cc2)cc1 304762097 VIDCGFZOYVMNNY-UHFFFAOYSA-N 281.403 3.527 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCC2 127006878 CNOUFOCULJGWTR-HZPDHXFCSA-N 291.435 3.561 30 20 CHED C=CCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 121244768 SACONFCFCGMCNZ-GJZGRUSLSA-N 296.414 3.523 30 20 CHED Cc1ccc(CNc2ccc(C)c(C#N)n2)c(OC(C)C)c1 302688307 YVWQGNWTPVWWCE-UHFFFAOYSA-N 295.386 3.969 30 20 CHED CN(CC1(CC#N)CC1)[C@H]1CCCc2ccccc21 602756767 PJSWEZYWZZYHOW-INIZCTEOSA-N 254.377 3.690 30 20 CHED C=CCOc1ccccc1C(=O)Nc1nc(C)c(C)s1 30579172 QLYPOSPDHVDPQY-UHFFFAOYSA-N 288.372 3.577 30 20 CHED Cc1ccccc1N(C[C@@H](O)c1ccc(C#N)cc1)C(C)C 126263465 SDUSIMMRRUAQMQ-LJQANCHMSA-N 294.398 3.815 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(F)c(Cl)cc1F 125743966 IFOHICDFLRSPRR-UHFFFAOYSA-N 273.710 3.656 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CCCc1ccc(Cl)cc1 120933785 PNALGSHMJCCHQR-INIZCTEOSA-N 292.810 3.717 30 20 CHED C=CCc1ccccc1OCc1ccc(C(=O)OC)cc1 35151767 SIRRVRUJUCSEKS-UHFFFAOYSA-N 282.339 3.781 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1C#N 124618000 IZLKSIAOUJZGQH-GXFFZTMASA-N 298.308 3.947 30 20 CHED C=C(C)CCN1CCC(C(F)(F)F)(C(F)(F)F)C1 509672848 WWNKQNBUUWVBJU-UHFFFAOYSA-N 275.236 3.769 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N2CCCC3(CC3)C2)cc1 184076410 WDXYYPQVEHKGFW-UHFFFAOYSA-N 297.402 3.896 30 20 CHED Cc1coc(SCCC2(C#N)CCCCC2)n1 413007691 UPKHDHTYGGRMLF-UHFFFAOYSA-N 250.367 3.939 30 20 CHED CCN(Cc1cn(CCC#N)nc1-c1ccccc1)C(C)C 126347875 LTEAWIACZQFJKI-UHFFFAOYSA-N 296.418 3.694 30 20 CHED CC(C)(C)[C@@H](Nc1cnc(C#N)cn1)c1cccc(F)c1 126793235 DHXPCOIAGMQRAJ-HNNXBMFYSA-N 284.338 3.687 30 20 CHED C=CC[C@H](C)NC(=O)N(CCC)CCc1cccs1 184118021 QJKUZNJQHWOMJT-ZDUSSCGKSA-N 280.437 3.677 30 20 CHED O=C(Nc1cccc(C#Cc2ccccc2)c1)NC1CCC1 503989996 MDOGJGWKHKSOIF-UHFFFAOYSA-N 290.366 3.760 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N[C@](C)(C#N)CCSC 415676368 MMAORZNMZOOXFD-HOCLYGCPSA-N 296.480 3.744 30 20 CHED Cc1cc(C)cc(NC(=O)NCC#Cc2cccc(F)c2)c1 509372210 NRTGRYDKLPBKIC-UHFFFAOYSA-N 296.345 3.616 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@H](CC)CC(F)(F)F 413899578 DUFAIATWNPGLFR-LLVKDONJSA-N 280.334 3.573 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](NCCCCC#N)CC3 180429799 RSWOSJXNUPUUGJ-CQSZACIVSA-N 281.403 3.617 30 20 CHED N#Cc1cc(Cl)ccc1CSCC[C@@H]1CCOC1 419518489 BYWBYWDDWIXRPT-NSHDSACASA-N 281.808 3.871 30 20 CHED CC1(C)C[C@H](Sc2ccc(C#N)cc2F)CCO1 412997662 WCDCAQRJFCXEIV-LLVKDONJSA-N 265.353 3.747 30 20 CHED Cc1ccc2c(c1C)N(C(=O)c1cccc(C#N)c1)CCC2 411082168 NXFIQRHMEAOUHR-UHFFFAOYSA-N 290.366 3.768 30 20 CHED CC[C@H](Sc1ccccc1C#N)C(=O)OC(C)(C)C 188030207 JUXOYTKZDWNSRS-LBPRGKRZSA-N 277.389 3.771 30 20 CHED C=CCC1(C(=O)NCCc2cc3ccccc3o2)CCC1 187948013 LAKNQJPFZUVXMC-UHFFFAOYSA-N 283.371 3.838 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCC[C@H]1CC 79541631 XZZYJNPNYLALCG-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED CC(C)COc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 185792997 NTOUECNWMJBEAJ-NVXWUHKLSA-N 286.419 3.893 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2CCSc3ccccc32)C1 185753899 NACJMVGYJKKVHQ-GUTXKFCHSA-N 272.417 3.895 30 20 CHED C[C@@H](NC(=O)C(C)(C)C#N)C1(c2ccccc2)CCCC1 187375115 YLHZJPMDWQTFJG-CQSZACIVSA-N 284.403 3.553 30 20 CHED N#Cc1cccc(NCc2c(F)cccc2N2CCCC2)c1 132872304 QFKLTJNUBAZIFO-UHFFFAOYSA-N 295.361 3.910 30 20 CHED CC#CCCCC(=O)Nc1ccc(Br)cc1F 184878712 RIVUDXPQYSNKFL-UHFFFAOYSA-N 298.155 3.720 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)Nc1ccncc1 188542959 KBLGGZYBDCPZJN-UHFFFAOYSA-N 297.358 3.623 30 20 CHED C=CCCC(=O)NCc1cc(Cl)ccc1OC(F)F 73363698 AXNNZPJGSGQVAX-UHFFFAOYSA-N 289.709 3.524 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C 46896117 PAAYIESXHOOSFI-UKRRQHHQSA-N 287.407 3.575 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(-c3cnco3)cc2)C1 185718179 VLRXPNSGTWHIFW-SWLSCSKDSA-N 267.332 3.836 30 20 CHED CSCc1nnc(S[C@@H](C)c2cccc(C#N)c2)o1 189821557 KYGLCLKRJJSUGO-VIFPVBQESA-N 291.401 3.658 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc(C)ccc1C 187203203 XJNCGJBKAIBVQT-UHFFFAOYSA-N 279.339 3.568 30 20 CHED N#CCCN(Cc1c(F)cccc1Cl)CC1CC1 174695018 CACZEKOIZSEERP-UHFFFAOYSA-N 266.747 3.605 30 20 CHED C=C(C)CN(CCC)[C@@H](C)CC(=O)Nc1ccccc1 502944880 VCRGCRQDQIMSDG-HNNXBMFYSA-N 274.408 3.692 30 20 CHED CC(C)(CCC#N)CNC(=O)NCC1(C)CCCCCC1 501556597 SCVOGIYIRBZVDO-UHFFFAOYSA-N 293.455 3.976 30 20 CHED CN(CCCc1ccccc1)CCCC(C)(C)C#N 174820974 PZPQCGBCWFYIPX-UHFFFAOYSA-N 258.409 3.881 30 20 CHED C[C@H](N[C@@H]1CCCc2c(O)cccc21)c1cccc(C#N)c1 192354858 POJREAPUMLKRCS-SCLBCKFNSA-N 292.382 3.992 30 20 CHED N#Cc1ccc(N[C@@H]2CCCSC2)cc1C(F)(F)F 88191363 GEZDJLKGOWLSON-LLVKDONJSA-N 286.322 3.885 30 20 CHED C=CCN(C(=O)Cc1ccc(F)c(F)c1)c1ccccc1 87086897 SPOSDCUZEPOKCU-UHFFFAOYSA-N 287.309 3.727 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425558752 FLBQBFLSXGOLQC-RPVQJOFSSA-N 299.418 3.695 30 20 CHED CCC[C@@H](C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 42062473 XNLCNTVLERZRPQ-GFCCVEGCSA-N 297.320 3.609 30 20 CHED CC1(C)CCC(/N=C(/O)c2cnc3cnccc3c2)CC1 328684722 WZSGWOBECHXDJT-UHFFFAOYSA-N 283.375 3.903 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N(C)CC(C)(C)C 510022724 GCQNNOGUERGAKM-UHFFFAOYSA-N 292.398 3.912 30 20 CHED COc1cc(Cl)c(C)cc1NC(=O)CC(C)(C)C#N 330946271 GXUZDDPBMGWCQB-UHFFFAOYSA-N 280.755 3.535 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C/c1sccc1Cl 195336078 CIMGHUSHEVHXOI-ONEGZZNKSA-N 290.731 3.537 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)c1cc(C#N)cs1 84074073 COLJOHMKPNPOJK-UHFFFAOYSA-N 264.394 3.564 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 510039848 LDUUBHAGMLWHAS-IIAWOOMASA-N 282.387 3.565 30 20 CHED C[C@@H](SCc1nc(C2CC2)n[nH]1)c1ccc(C#N)cc1 193661245 JEYBMEQCEJXSQM-SNVBAGLBSA-N 284.388 3.548 30 20 CHED C=CCN(CC=C)C(=O)c1c[nH]cc1-c1ccc(F)cc1 193126318 INABJZFUUMJYAV-UHFFFAOYSA-N 284.334 3.635 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc(C#N)c(Cl)c1 337770526 VFLCFWOREXVCPV-UHFFFAOYSA-N 295.729 3.644 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)c1cccc(C#N)c1C)C1CC1 337868888 MHIORCUFMUNCAG-GXTWGEPZSA-N 284.403 3.906 30 20 CHED CSc1cc(NC(=O)C(C)(C)C#N)ccc1Cl 335656904 POUXFXKEWPGMCA-UHFFFAOYSA-N 268.769 3.550 30 20 CHED CCCCOCC(=O)Nc1cc(C(C)(C)C)sc1C#N 91208559 GVNWVPBKWYJMPB-UHFFFAOYSA-N 294.420 3.672 30 20 CHED CCN(Cc1ccc(C)cc1Br)C[C@@H](C)C#N 91983588 ULBHAIKIZRSEEG-LBPRGKRZSA-N 295.224 3.739 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(OCC2CC2)cc1 435452731 JGYNXBPBPYQCRB-UHFFFAOYSA-N 296.326 3.501 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(-c2cc[nH]n2)cc1 433131237 JPXPNHKRDGBTGA-UHFFFAOYSA-N 298.390 3.801 30 20 CHED N#CCN(C(=O)c1sccc1C1CC1)C1CCCC1 432933631 OCUWMILUBLCAMP-UHFFFAOYSA-N 274.389 3.534 30 20 CHED CCN(C[C@H](C)C#N)C[C@H](C)c1cccc(Cl)c1 249175984 FDGFKKRRSDUNJC-OLZOCXBDSA-N 264.800 3.925 30 20 CHED C=C1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 342001712 LGDJLQAVDNZHIB-HNNXBMFYSA-N 286.419 3.789 30 20 CHED C=CCCCNC(=O)c1cnc(-c2ccsc2)s1 344590611 ZRAHSXHALGQHIK-UHFFFAOYSA-N 278.402 3.568 30 20 CHED Cc1cccc([C@@H](NCc2ccnc(C#N)c2)C(C)C)c1 528768333 LRZSDFYNJMBKQQ-SFHVURJKSA-N 279.387 3.749 30 20 CHED C=CC[C@@H](C(=O)NCc1occc1C)c1ccccc1 343577544 CLWNWKKJVVDWTE-OAHLLOKOSA-N 269.344 3.564 30 20 CHED N#Cc1ccc(/C=C\c2ccc(F)c(C#N)c2Cl)nc1 431581146 XSYSTCFLFJQEKG-DJWKRKHSSA-N 283.693 3.788 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccncc2Cl)CCCC1(C)C 347458402 CTTMMSQKJNCVKZ-AWEZNQCLSA-N 292.810 3.942 30 20 CHED N#CCC1(CNCc2ccc(F)c3ccccc23)CC1 601120750 KVYHCIZJHSTLLO-UHFFFAOYSA-N 268.335 3.762 30 20 CHED C=CCC(C)(C)C(=O)Nc1sc(CCC)nc1C 347351889 KPFLOTDQKIJXGN-UHFFFAOYSA-N 266.410 3.945 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)CC1 343347642 WUXVGZOPDCCTQU-IRXDYDNUSA-N 299.414 3.627 30 20 CHED C=CCOc1ccc(C(=O)N2CCCCC(C)(C)C2)cc1 438501335 KJRJREWBYBZCLD-UHFFFAOYSA-N 287.403 3.904 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1ccccc1CC#N 344408496 ZXWBOYQXBINFKF-JSGCOSHPSA-N 256.349 3.517 30 20 CHED CC[C@H](C#N)NC(=O)c1cc2c(Cl)cccc2s1 608816482 JGIGMWNYODRQNI-MRVPVSSYSA-N 278.764 3.587 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(c2ccccc2F)CC1 605605567 MYDKZRUPBWPMNA-ZDUSSCGKSA-N 290.382 3.679 30 20 CHED C=CCN(Cc1ccccc1F)CC1(CC#N)CC1 602762950 IAEQUFSJAWXYEM-UHFFFAOYSA-N 258.340 3.508 30 20 CHED COc1cc(C)c([C@@H](C)N2CCC[C@@H](CC#N)C2)cc1C 602709984 UFNVLGCQEXKBLR-CVEARBPZSA-N 286.419 3.999 30 20 CHED CN(CCCCC#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 608832770 TXPGDUTVUQVXDW-ZWKOTPCHSA-N 286.419 3.780 30 20 CHED N#CC1(N(C(=O)C[C@H]2C[C@@H]2c2ccccc2)C2CC2)CCC1 341609044 CRMJYKLEPHDAAO-NVXWUHKLSA-N 294.398 3.617 30 20 CHED Cc1cc(CNCc2ccc(OC(C)C)cc2)ccc1C#N 443987962 NSLFWGLDFTWELV-UHFFFAOYSA-N 294.398 3.944 30 20 CHED CCc1nnc(N[C@@H]2CCC[C@H](C)[C@H]2C)c(C#N)c1CC 250141397 UNWXDLXOZNWWCR-HWWQOWPSSA-N 286.423 3.710 30 20 CHED Cc1ccccc1C=NOCc1ccc(F)c(F)c1 255133746 SYPBGGUBMMDLSG-UHFFFAOYSA-N 261.271 3.824 30 20 CHED CCc1ccc(C=NOCc2cccc(NC(C)=O)c2)cc1 255315632 NJEQCNHFZAOUHF-UHFFFAOYSA-N 296.370 3.758 30 20 CHED Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OC(C)C)c1 442763141 AOOHVHQYFFKMTC-ZBFHGGJFSA-N 272.392 3.564 30 20 CHED CCSCc1cccc(NCc2cccc(C#N)n2)c1 602499095 PJZZANKJMAFBGI-UHFFFAOYSA-N 283.400 3.818 30 20 CHED CC(C)[C@@H]1N(C(=O)CCc2ccc(C#N)cc2)CC12CCC2 359212056 UEVIZPCBUGXORC-SFHVURJKSA-N 296.414 3.528 30 20 CHED C=CCCOCCCCC(=O)N(C(C)C)C1CCCC1 539396796 NDUPTBGKZZNZTQ-UHFFFAOYSA-N 281.440 3.929 30 20 CHED COc1ccc(C)cc1N[C@H](C#N)Cc1ccccc1 604553091 INVPNJPIGMAFRD-HNNXBMFYSA-N 266.344 3.550 30 20 CHED CCS[C@@H]1CCCCN(c2ncc(C#N)cc2Cl)C1 350729226 MQFHZYBXXMIBTP-GFCCVEGCSA-N 295.839 3.719 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(CCC#N)Cc2ccco2)c1 352104152 TXAZMWPDDFBBCP-OAHLLOKOSA-N 296.370 3.634 30 20 CHED N#CC[C@@H]1CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 600093148 LWPAHPCWUMGSIG-AWEZNQCLSA-N 288.435 3.745 30 20 CHED Cc1cc(OC(C)C)ccc1Nc1ncccc1C#N 530663178 WLXLQSQWEXTOJD-UHFFFAOYSA-N 267.332 3.793 30 20 CHED CC(C)C[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 442690055 VCMQIGSACNHPNE-GOEBONIOSA-N 256.393 3.987 30 20 CHED COc1ccccc1NCC#Cc1cccc(Cl)c1 448108692 LFOBQRTYLPWBBY-UHFFFAOYSA-N 271.747 3.812 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1cc(F)ccc1C#N 532345407 UFFPIMAYXFVHDJ-GFCCVEGCSA-N 298.336 3.956 30 20 CHED C=C(C)COc1cc(CN2CC[C@@](C)(F)C2)ccc1OC 355351257 DBCTWRCDWODESG-QGZVFWFLSA-N 293.382 3.584 30 20 CHED C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CC(C)(C)C1 356741367 RMKKEYVQEGSJAI-RDJZCZTQSA-N 298.430 3.969 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCSC1 266302357 BVTGULCDANPQDN-QFKBZZQOSA-N 276.188 3.623 30 20 CHED C[C@@H]1CCC[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 618804738 LSIRDDQAOIWVCE-SRCQZFHVSA-N 254.377 3.714 30 20 CHED Cc1cc(CN(C)Cc2cc(F)ccc2C#N)ccc1F 444730834 FSBZKGZTBFMLQW-UHFFFAOYSA-N 286.325 3.777 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1C(=O)NCc1cccc(C#N)c1 610023858 XLGVMWSOCLTMAM-RHSMWYFYSA-N 299.418 3.668 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 617789120 YYXSDDKZWWZIFP-CQSZACIVSA-N 277.433 3.886 30 20 CHED C=C(C)Cn1c(C)nnc1N(CCC)Cc1ccccc1 359107108 IQYYGJFXFOMQPR-UHFFFAOYSA-N 284.407 3.579 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cccc(OC/C=C/C)c1 448685048 SHKZYNFMUSYXAI-FNORWQNLSA-N 287.403 3.609 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccco1 352303353 MUHHPYZGPLWTSP-UHFFFAOYSA-N 285.253 3.590 30 20 CHED CN(CCC(F)(F)F)C(=O)c1ccc(C(C)(C)C#N)cc1 355033303 CLLPXTIJBONVMD-UHFFFAOYSA-N 298.308 3.512 30 20 CHED N#CCc1ccc(NC(=O)CCC2CCC2)c(Cl)c1 452644761 MLYUBTOSEQKIAN-UHFFFAOYSA-N 276.767 3.925 30 20 CHED Cc1noc(C)c1[C@@H](C)NCc1ccccc1C(C)(C)C#N 611409069 JCCJMHLXPDQNMC-GFCCVEGCSA-N 297.402 3.943 30 20 CHED C[C@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)C1CC1 619508306 UUAKGQBGCQHSNR-FZKQIMNGSA-N 268.404 3.961 30 20 CHED CC[C@H](N[C@@H](CO)c1ccccc1C)c1ccc(C#N)cc1 618571606 XLMZSOSTAFLRFO-OALUTQOASA-N 294.398 3.641 30 20 CHED Cc1ccoc1CNCC#Cc1ccc(C(F)(F)F)cc1 539704126 KJQCZLNHRRHQMU-UHFFFAOYSA-N 293.288 3.748 30 20 CHED C=C(C)CCNC(=O)c1ccc(CSCC)cc1 452727284 XYDVBXOEOUSJDF-UHFFFAOYSA-N 263.406 3.636 30 20 CHED C=CCC1(CN[C@H](C)c2cn(C)nc2C)CCCC1 453382445 SFMFUJAHAPLNLD-CYBMUJFWSA-N 261.413 3.516 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)CC1 452488458 OSXWMHCEZDHGIV-UKRRQHHQSA-N 285.387 3.761 30 20 CHED C=C(CC)CNC(=O)C1(C(F)(F)F)CCCCC1 616113391 KDOZDVOTMBMABO-UHFFFAOYSA-N 263.303 3.582 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H](C)C(F)(F)F 361368053 WSEJWJFYNDUNGL-JTQLQIEISA-N 289.272 3.539 30 20 CHED N#Cc1ccc(SCC(=O)C2CCCCCC2)nc1 278640725 IUZCAZZYANENOE-UHFFFAOYSA-N 274.389 3.585 30 20 CHED C[C@H](NC(=O)N1C[C@H](C)CCC[C@H]1C)c1cccc(C#N)c1 610357687 RJLMSNNYBHOUML-KFWWJZLASA-N 299.418 3.839 30 20 CHED CC(C)(C#N)CCCCn1cc(C#N)c(=O)c2ccccc21 277546728 IULNSHVMVPKMGC-UHFFFAOYSA-N 293.370 3.593 30 20 CHED CCC[C@H](C)CC(=O)NCc1ccc(C#N)c(Cl)c1 619765924 KYQDUWCVRPVMNH-NSHDSACASA-N 278.783 3.654 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(CC)(CC)C1 458617711 KKZYVCUJXQGJID-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCCCC1(F)F 450427294 RZOVJOIPEYJBMQ-RYUDHWBXSA-N 259.340 3.673 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)c2ccsc2)CC1 453101692 OORUJTIWNXDARX-INIZCTEOSA-N 278.465 3.829 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CCC[C@H]1c1ccccc1 454493024 ADPNYHDBADXSOD-HOTGVXAUSA-N 272.392 3.588 30 20 CHED CCC1(CC)CCCN(Cc2cc(C#N)n(C)c2)CC1 361605599 XPEYBSPKIMHTNX-UHFFFAOYSA-N 273.424 3.689 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C)nc2C(C)C)c1 456967839 OSDCCEXGNCVFPG-UHFFFAOYSA-N 293.370 3.946 30 20 CHED C=CCOCCCN(C)[C@H]1CCCc2ccccc21 547766596 VQFRWNMMZXXXCZ-KRWDZBQOSA-N 259.393 3.589 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC[C@H](C)C1 540644472 JUJKXZDAAMCHOH-GOEBONIOSA-N 287.403 3.646 30 20 CHED CCOc1ccccc1-c1noc(-c2cc(C#N)cs2)n1 546998664 NAANGDXRVDEBOQ-UHFFFAOYSA-N 297.339 3.735 30 20 CHED C[C@H](CNC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 542697232 LHUDQCZICROQBX-GFCCVEGCSA-N 297.333 3.623 30 20 CHED C=CCSc1ccccc1C(=O)N1CC(C)(CC)C1 360903488 NLEDWWLRECRQIY-UHFFFAOYSA-N 275.417 3.837 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)Nc1cccc(CC#N)c1 455911187 DXWQYEZDXBLPMV-OAHLLOKOSA-N 285.391 3.843 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 274217191 OVFSZDPYSHLOKV-JKIFEVAISA-N 299.418 3.501 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)SC1CCC1 450990672 ILOPWFUPAXJVCV-GFCCVEGCSA-N 295.473 3.937 30 20 CHED CC[C@@H](Nc1nc(C)c(C#N)cc1Cl)C1CCOCC1 360081235 DJYIYHYSCPDOAF-CQSZACIVSA-N 293.798 3.532 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(CCC#N)Cc1ccco1 279925282 XRYUIORHOLCEMD-GOEBONIOSA-N 288.391 3.738 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)c1ccc(F)c(C#N)c1 456045925 BMXVRULPGBXSFD-LBPRGKRZSA-N 274.339 3.562 30 20 CHED C=C(CC)CNC(=O)C1(c2ccccc2F)CCCC1 456826821 JKQKEMDPQIUSSX-UHFFFAOYSA-N 275.367 3.720 30 20 CHED CC[C@@H](N[C@H](C)c1cccnc1)c1ccc(C#N)cc1 278256005 NDILOBFCWAQVTH-CXAGYDPISA-N 265.360 3.755 30 20 CHED CC(C)(C#N)CCN1CCC[C@H]1CC(=O)c1cccs1 271952261 BHWFTTZJDSEIJT-ZDUSSCGKSA-N 290.432 3.725 30 20 CHED C=C(C)Cn1c(N2CC[C@H](C)[C@@H]2CC)nnc1C(C)(C)C 460551312 IWHSUWJSDBOFJV-KBPBESRZSA-N 290.455 3.777 30 20 CHED C=CCCN(C)C(=O)Nc1cnn(-c2ccc(C)cc2C)c1 276432158 RRCXXNSDTCSCTN-UHFFFAOYSA-N 298.390 3.529 30 20 CHED C=CCOCCN[C@@H](c1ccc(F)cc1)C(C)(C)C 549898954 LOYINDAUEYOAPY-HNNXBMFYSA-N 265.372 3.705 30 20 CHED C=CCN(C(=O)c1cc(-c2ccccc2)nn1C)C(C)(C)C 622945347 AQBCDQQRDQKOFU-UHFFFAOYSA-N 297.402 3.514 30 20 CHED CCN(CCC#N)C(=O)/C(C)=C/c1ccccc1Cl 270131474 XTLSOVQGQDPBDP-VAWYXSNFSA-N 276.767 3.505 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 281291262 IJORGCADZJUXKA-SRVKXCTJSA-N 297.320 3.678 30 20 CHED C=C(CC)COc1cccc(NC(=O)c2ccco2)c1 552631752 ODLMUYWJUWCFLU-UHFFFAOYSA-N 271.316 3.877 30 20 CHED C=CCC[C@H](NCC1(OCC)CCCC1)C1CC1 559891048 MIBLRBAZWVNJIM-HNNXBMFYSA-N 251.414 3.670 30 20 CHED CSc1ccc(CCN[C@H]2CCC[C@@H](C#N)C2)cc1 280717399 FJGIVEZGBCKHSG-CABCVRRESA-N 274.433 3.623 30 20 CHED CC(C)(C#N)CCCCN1CCCc2occc2C1 288885299 RIOQEQKASRWBSJ-UHFFFAOYSA-N 260.381 3.748 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1SCCCc1ccccc1 553907899 RRSNBJYBGXXGAM-UHFFFAOYSA-N 299.355 3.586 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(C#N)cc2)CC1 469478365 RECHPQZFJRDYCC-MSOLQXFVSA-N 298.430 3.822 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCOc1cccc2ccccc12 467954075 YMGLDQWVFACTSY-IBGZPJMESA-N 297.398 3.937 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(OC)cc1 470646230 INGKPMDNPBPIPB-UHFFFAOYSA-N 295.382 3.914 30 20 CHED C=CC[C@@H]1N(CCCO[C@H]2CCCCO2)CCCC1(C)C 558737617 HFYSNWICOSIZTA-IRXDYDNUSA-N 295.467 3.986 30 20 CHED C[C@H](NC[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)c(F)c1 479555818 PGKYXTZJCSTWIW-FRRDWIJNSA-N 260.356 3.784 30 20 CHED C=CC(C)(C)C(=O)NC[C@H](c1ccccc1)C(F)(F)F 295865253 YPKFFURJFGPTQT-GFCCVEGCSA-N 285.309 3.661 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CCc1ccc(-c2ccccc2)o1 470153579 UJPCWPDSBDSISM-MRXNPFEDSA-N 296.370 3.544 30 20 CHED COc1ccc(C)cc1CNC1(c2cccc(C#N)c2)CC1 556411059 VHAFDOAGGNTRMG-UHFFFAOYSA-N 292.382 3.654 30 20 CHED CCCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[C@@H](C)C1 294291416 RWJBFJDETYMYJL-UKRRQHHQSA-N 287.407 3.707 30 20 CHED CC#CCCNC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 564040303 NOVDWSRHMDPZGZ-OAHLLOKOSA-N 284.403 3.759 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1ccccc1SC 800024605 UCNWLJWDCRLXDO-OLZOCXBDSA-N 294.416 3.994 30 20 CHED CCCCCCCCCC(=O)Nc1nncn1C1CC1 803516754 JGMAPYLRTZHFBT-UHFFFAOYSA-N 278.400 3.692 30 20 CHED C=CCC(C)(C)c1noc(-c2ccccc2OCC)n1 566988698 YBQMCRWREPCRPM-UHFFFAOYSA-N 272.348 3.989 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccsc1 296404198 KMFKKAOZSOKPFT-QEJZJMRPSA-N 265.422 3.770 30 20 CHED C=CCCc1noc(-c2ccc(COC(C)C)cc2)n1 297228806 HRHDKCLALWMYSW-UHFFFAOYSA-N 272.348 3.780 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCC[C@H](N2CCCC2=O)C1 563444542 OJILSXZCIAVNFQ-BBWFWOEESA-N 292.467 3.645 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)CC1 569724888 QXKSRYZBEQSPEH-VMGRFDJRSA-N 274.408 3.712 30 20 CHED CC(=NN[C@H]1CCSC1)c1cccc(-c2ccncc2)c1 808001082 YTWHJGQRKCSSKN-KRWDZBQOSA-N 297.427 3.568 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cccc(C(=O)N(C)CC)c1 562059143 SHOUITZGSCMXBY-KGLIPLIRSA-N 274.408 3.791 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1CC12CCCC2 474386960 YYFSPFGNEMKWIU-MRXNPFEDSA-N 269.388 3.782 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC(F)(F)C1 479812486 IELMAJYAWOCXTM-GFCCVEGCSA-N 297.320 3.776 30 20 CHED CC[C@@H](NCc1cccc(O)c1)c1ccc(C#N)cc1 566080151 FGWKEVMQGCOIDX-QGZVFWFLSA-N 266.344 3.505 30 20 CHED C=CCN(C(=O)N[C@H]1CCCc2ccc(C)cc21)C(C)C 807616502 VPVVDNRQTKZWBE-KRWDZBQOSA-N 286.419 3.978 30 20 CHED C[C@@H](CNC1CC(C#N)(c2ccccc2)C1)CC(F)(F)F 396961736 HVETVHYMAYCXEB-LRVUVFPRSA-N 296.336 3.788 30 20 CHED N#Cc1ccc(/C=C/C(=O)C2CCCCC2)cc1F 817344148 VNTWHYNYGJRMHB-VQHVLOKHSA-N 257.308 3.860 30 20 CHED CC(C)c1ccc(OC2CCN(C(C)(C)C#N)CC2)cc1 565340815 FLEMPNMAZWRTJH-UHFFFAOYSA-N 286.419 3.955 30 20 CHED N#CCCC1CCN(c2cnc(-c3ccccc3)cn2)CC1 563053568 KMURAJGZZFBWTN-UHFFFAOYSA-N 292.386 3.664 30 20 CHED C[C@H](NN=C[C@H](C)CCc1ccccc1)c1ccncc1 819815540 ATLSOUJSAKOLNX-CVEARBPZSA-N 281.403 3.987 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(CSC)c1 815544994 NXMXEVVFWPCNNE-UHFFFAOYSA-N 271.332 3.700 30 20 CHED C=CCCCCOC(=O)CSc1ccc([N+](=O)[O-])cc1 811012428 LCSHLOYVMNIQDR-UHFFFAOYSA-N 295.360 3.586 30 20 CHED C[C@H]1CC(=NN2CCC(C(C)(C)C)CC2)CC[C@H]1C(=O)O 814914027 ZHGHFYOIWINFFX-SWLSCSKDSA-N 294.439 3.621 30 20 CHED CSCc1cnc(C=NNc2c(F)cccc2F)s1 814853037 YYXFXOFQDRIFDA-UHFFFAOYSA-N 299.371 3.730 30 20 CHED CC1=CCN(CCNc2cccc(C(F)F)c2C#N)CC1 571296964 DIYXAURFURQSIB-UHFFFAOYSA-N 291.345 3.560 30 20 CHED CCc1ccc(C(C)=NN[C@H](C)c2ccncc2)cc1 819816159 XZDDYCPQMMYZGZ-CQSZACIVSA-N 267.376 3.719 30 20 CHED N#CCc1ccc(NC(=O)NCCCC2CC2)c(Cl)c1 575996768 TZSQPOGVSYIBHL-UHFFFAOYSA-N 291.782 3.718 30 20 CHED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 577797285 SFVHXOIXNOKWHN-AWEZNQCLSA-N 296.345 3.876 30 20 CHED CSc1ccc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)s1 814893615 XWJCCPRKLARWLU-JBLDHEPKSA-N 266.435 3.582 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)OC1CCCCC1 488874833 FLVKEZULTMSHQL-GDBMZVCRSA-N 279.424 3.681 30 20 CHED C=CCN(Cc1ccc2ccccc2c1O)C(C)C 816490305 RICNMTSAPPPNTR-UHFFFAOYSA-N 255.361 3.942 30 20 CHED CCCCCCCCCCC(=O)N1CCO[C@H](C)C1 818501893 VFWASAJAUIPAEO-OAHLLOKOSA-N 269.429 3.765 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](c1cccs1)C(CC)CC 812010454 JVZWDPCZHMZKDO-DOMZBBRYSA-N 292.448 3.889 30 20 CHED CC1(c2ccccc2)CC(=NNc2ccc([N+](=O)[O-])cn2)C1 729637461 LYZCVVUHWFUITF-UHFFFAOYSA-N 296.330 3.509 30 20 CHED C=CCN(C(=O)c1coc2c(C)cccc12)C(C)C 819241326 OHWVHSIUAIDKHL-UHFFFAOYSA-N 257.333 3.778 30 20 CHED Cc1cc(CN2CCCC(C)(C)[C@H]2C#N)cc(C)c1O 578264168 KUVVNKYZWWSLBK-OAHLLOKOSA-N 272.392 3.523 30 20 CHED CC(C)OCCON=C1C[C@H](c2ccccc2)C1(C)C 812239329 ROJMVDGTWOSBST-OAHLLOKOSA-N 275.392 3.998 30 20 CHED CC(=NOC1CCC1)c1ccc(C(F)(F)F)cc1 812235003 GWSKPZCPGYQSRP-UHFFFAOYSA-N 257.255 3.999 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CC)c2ccc(Cl)cc2)cn1 728806487 FJCVQCSVVSDESU-MRXNPFEDSA-N 298.773 3.597 30 20 CHED C=C(C)Cn1c(CC)nnc1N(C)[C@@H]1CCc2ccccc21 572539307 KGRSJWFZPJHVDO-MRXNPFEDSA-N 296.418 3.540 30 20 CHED CCC(F)(F)C(=O)Nc1ccccc1SC[C@@H](C)C#N 826877156 BGVFZSOTFXGTAE-JTQLQIEISA-N 298.358 3.922 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@@H](C#N)C1)CCC2 490437655 UWONRWXSHWZHIL-UNEWFSDZSA-N 254.377 3.654 30 20 CHED C=CCC1(N[C@H]2CS[C@H](C(C)(C)C)C2)CCOCC1 668550532 BMUYQWLYXDSDGZ-KGLIPLIRSA-N 283.481 3.622 30 20 CHED CCC/C=C/C(=O)N(Cc1ccc(C#N)cc1)C(C)C 729348843 BDHDNDUGCZYKTD-VOTSOKGWSA-N 270.376 3.652 30 20 CHED CC[C@H](NCc1scnc1C)c1cccc(C#N)c1 902794838 YSAYCWHRUJMNRJ-AWEZNQCLSA-N 271.389 3.564 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)O)c(C)cc1C 907630146 VPZJCROSXIDHIE-LBPRGKRZSA-N 275.348 3.542 30 20 CHED C=CCC1(N[C@@H](C)CCc2ccccc2F)CCOCC1 668551403 MDRCIWVHOHURIK-HNNXBMFYSA-N 291.410 3.862 30 20 CHED CC[C@@H](C)n1ncc(NCC2(CC#N)CC2)c1C1CC1 902193659 WLQFPQCNHIWJRY-GFCCVEGCSA-N 272.396 3.837 30 20 CHED C=C[C@H](CC)Cc1nc(-c2ccc(-c3nnco3)cc2)no1 904051589 XLQATORXNKZKPY-LLVKDONJSA-N 296.330 3.541 30 20 CHED C#CCOc1ccc(CN[C@H](CC)c2ccccc2)cc1 733326198 MYEOZZTWSZXGEX-LJQANCHMSA-N 279.383 3.940 30 20 CHED C#CCN(CC)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 737517373 KICSGUZMXITURO-OAHLLOKOSA-N 271.404 3.785 30 20 CHED C=CCCCCCN(C)Cc1cc(F)ccc1[N+](=O)[O-] 739932201 YJZXWDAMBADUSB-UHFFFAOYSA-N 280.343 3.912 30 20 CHED CC[C@@H]1CCCC(=NNC(=S)NCc2ccccc2)C1 734977264 LFPARAYMVXXBOT-CYBMUJFWSA-N 289.448 3.607 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 837516320 DMLLEDAYKSSIMP-KRWDZBQOSA-N 299.389 3.927 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1sc(C(C)C)nc1C 835003171 XAXHIPZNFZGMDN-SECBINFHSA-N 293.358 3.839 30 20 CHED CC[C@H](C)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901380647 ZYLNVKMRPFSSIS-QMMMGPOBSA-N 276.163 3.757 30 20 CHED N#CC1(CCCCOC(=O)[C@H]2Cc3ccccc32)CCC1 909031231 FDDQTIKNHUCWSI-INIZCTEOSA-N 283.371 3.734 30 20 CHED Cc1ccc2c(c1)[C@@H](N=c1[nH]ccc(C#N)c1Cl)CCC2 582687990 PNPMWIKDUIYYKN-HNNXBMFYSA-N 297.789 3.827 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc(C(=O)OC)c(F)c1 835018782 UOKOIMPFTJWMAV-SNVBAGLBSA-N 278.327 3.590 30 20 CHED C#CCOc1ccc([C@H](C)OC(=O)/C=C\c2ccco2)cc1 730431105 VVZGMVWZDNRWOU-BMSUMIBZSA-N 296.322 3.609 30 20 CHED CN(CC(C)(C)C#N)C(=O)NCC1CCCCCCC1 837764495 NNMFBOUGSVJBOI-UHFFFAOYSA-N 279.428 3.538 30 20 CHED N#CCCCCCC(=O)Nc1sc2c(c1C#N)CCC2 588816492 TYNVCKGIHHKCIH-UHFFFAOYSA-N 287.388 3.521 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cc(F)ccc1O 916604745 OJNURVRUALSBHO-UHFFFAOYSA-N 272.323 3.984 30 20 CHED CC[C@@H](N[C@H](C#N)c1ccccc1)c1nc(C)cs1 595432586 SINUTRICGXFENU-ZIAGYGMSSA-N 271.389 3.757 30 20 CHED N#CC1(C(=O)N2CCC[C@@H](C3CCCCC3)C2)CCCC1 598470733 HSLMEPUUGJTLAG-MRXNPFEDSA-N 288.435 3.889 30 20 CHED Cn1c(Cl)cnc1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 834434776 STSDCUREMHFEMF-JYVXZMADSA-N 298.773 3.773 30 20 CHED COc1ccc(C=NNc2cccc(F)c2)cc1Cl 741462108 XITCQSTWKYBKGL-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 674952021 NUGWNIOMVCNQBC-UONOGXRCSA-N 296.370 3.526 30 20 CHED CC(C)C[C@H](C(=O)N(C)[C@H](C)C#N)c1ccc(Cl)cc1 598844798 QKPWDNLPEOTKSK-DOMZBBRYSA-N 292.810 3.840 30 20 CHED Cc1ccc(C(C)(C)CNc2ccc(C#N)cc2)nc1 599137991 WXLZHSZAUFGUOG-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CCC(=NNc1ccc(C#N)cc1)c1cccs1 915962931 XULJKAGYUYOFPF-UHFFFAOYSA-N 255.346 3.846 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1ccnn1CC1CC1)C2=O 849250483 UPJOXZKJIXRMLS-VZWMTCDZSA-N 292.382 3.985 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CCCCC1 744810451 PPDAQQHFAVFGKU-HLLBOEOZSA-N 290.451 3.789 30 20 CHED Cc1cccc(C2(C(=O)OCC3(CC#N)CC3)CCC2)c1 744278309 VUXWQKLMISPJSG-UHFFFAOYSA-N 283.371 3.654 30 20 CHED O=C1/C(=C\c2ccccc2[N+](=O)[O-])CCc2cc(F)ccc21 747439414 DXQUDMMTFGHBHT-LCYFTJDESA-N 297.285 3.946 30 20 CHED CC(C)CCC[C@H](C)NC(=N)NCC1CCC(C#N)CC1 849026472 DIGABYLIRJDQQB-FHERZECASA-N 292.471 3.645 30 20 CHED c1ccc2c(NN=C3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)nncc2c1 915909958 WYDSDFMHEPKKQV-CLWVCHIJSA-N 292.386 3.854 30 20 CHED N#CC1(CC(=O)Nc2ccc3c(c2)CCC3)CCCCC1 596641200 NNPQIBFUYKZKCB-UHFFFAOYSA-N 282.387 3.978 30 20 CHED C[C@@H]1CCc2c(C(=O)OCC3(CC#N)CC3)csc2C1 744278417 YVAXACJKDHMYFM-LLVKDONJSA-N 289.400 3.724 30 20 CHED Cc1ccc([C@H](C)C(=O)N[C@](C)(C#N)C2CCCCC2)o1 742678688 HTEGYBHQMDHFLE-SUMWQHHRSA-N 288.391 3.670 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cccc(OC)c1O 846158767 KMNQHZATIWKEGA-STQMWFEESA-N 263.381 3.796 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCOCC1CCCC1 840710050 OAYFAWNGVKFRSP-LICLKQGHSA-N 281.783 3.671 30 20 CHED Cc1ccc(C(C)(C)CN[C@@H](C)c2cccc(C#N)c2)nc1 599072014 WQXZTZGIIHZBOL-HNNXBMFYSA-N 293.414 3.890 30 20 CHED C=CCN(C(=O)/C=C/c1ccc(Cl)cc1)C(C)C 915148127 XDXYARODRDSACD-JXMROGBWSA-N 263.768 3.776 30 20 CHED C=CCCSCCNC(=O)[C@@](C)(CC)CCC 597971393 YJMLTPCCUVXDAY-AWEZNQCLSA-N 257.443 3.628 30 20 CHED CCCCCCCCOCC(=O)N(C)c1c(C)noc1C 747875926 AWQKONIRKASCAT-UHFFFAOYSA-N 296.411 3.631 30 20 CHED C=C(C)COC(=O)C1(c2cccc(Br)c2)CC1 912694740 PRMCFFJCCWCQEI-UHFFFAOYSA-N 295.176 3.600 30 20 CHED C=CC[C@H](NC(=O)/C=C(/C)C(C)(C)C)c1ccncc1 742677913 SMWRCOGCFKLPRM-LLNWESEBSA-N 272.392 3.807 30 20 CHED CCC(CC)(CC)NC(=O)/C=C/c1ccccc1C#N 741616601 GGTPXGGSWJFBRW-VAWYXSNFSA-N 270.376 3.656 30 20 CHED N#CCCCn1cc(-c2cc(Cl)cc(Cl)c2)nn1 594650023 OFIMDUKTOQJOGT-UHFFFAOYSA-N 281.146 3.556 30 20 CHED CC/C(=C/C(=O)N(CC)C[C@@H](C)C#N)c1ccc(C)cc1 741671668 NNOMXXBYDSHHEC-CNYBTUBUSA-N 284.403 3.797 30 20 CHED CO[C@H](C=NNc1cc(C)ccc1F)CC(C)C 841629299 LTPKQWCCYFSHCM-LBPRGKRZSA-N 252.333 3.593 30 20 CHED CCc1ccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2O)cc1 748411296 NMAYQQGSRXVINV-GFCCVEGCSA-N 294.354 3.568 30 20 CHED CCCCCC[C@H](C)CC(=O)N1CCC[C@@H](C#N)C1 928224434 LIPFZQMNIXVVJZ-GJZGRUSLSA-N 264.413 3.745 30 20 CHED N#CCC1(COC(=O)c2[nH]c3ccccc3c2Cl)CC1 744277607 WSGJCLFJMRGCSD-UHFFFAOYSA-N 288.734 3.672 30 20 CHED CCn1cnnc1-c1cccc(N[C@@H](C)CC(C)(C)C#N)c1 926052832 PPGMQLGZOQRQJI-ZDUSSCGKSA-N 297.406 3.705 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)Cc1ccccc1F 920172868 LTTXQWRXSAHRDL-MKFNJMOCSA-N 287.334 3.590 30 20 CHED CCCOc1ccccc1N=Cc1cccc(O)c1O 920943989 GJWXEOXENFFVOY-UHFFFAOYSA-N 271.316 3.637 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N(CCC#N)C(C)C 755820163 HUIOVQUJTRSTJA-QBFSEMIESA-N 290.794 3.894 30 20 CHED CCCCCC(C)(C)CNC(=O)N1CCC[C@H](CC#N)C1 852196027 MYVJLECPKYBMOQ-OAHLLOKOSA-N 293.455 3.928 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cc(C)ccc1Cl)OCC 755427389 NQSHMJZLWNPLLF-ZDUSSCGKSA-N 282.767 3.925 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)Cc2c(F)cccc21 759076007 KDIFCKMECDPGJF-FNORWQNLSA-N 279.723 3.758 30 20 CHED CCCn1nccc1/C=C/C(=O)c1ccc(C)cc1C 853002876 XXYKCJFEBDHKAL-SOFGYWHQSA-N 268.360 3.806 30 20 CHED Cc1c(C(=O)/C=C\c2ccsc2)nnn1-c1ccccc1 920389712 SGENRNKQTSQXEM-FPLPWBNLSA-N 295.367 3.533 30 20 CHED CCCCCCCCCN1CC[C@@H](C)[S@](=O)CC1 759871146 UKEZITGIJYBHJC-CRAIPNDOSA-N 273.486 3.580 30 20 CHED CCN(C(=O)/C=C\c1ccccc1F)c1ccc(C#N)cc1 753172322 UOUAJUMMSHYILV-XFXZXTDPSA-N 294.329 3.764 30 20 CHED C=C[C@@H](OC(=O)[C@@H]1CC12CCSCC2)c1ccccc1 851452542 UJBCEHCSVGIDFU-LSDHHAIUSA-N 288.412 3.990 30 20 CHED C#CCC[C@H](C)OC(=O)C1(C(F)(F)F)CCCCC1 851082556 BAIBFLFQUXWWJX-NSHDSACASA-N 276.298 3.844 30 20 CHED CC/C(=C/C(=O)N1CCC[C@H](C#N)C1)c1ccc(C)cc1 928220995 LKIFJTKCDHLXMJ-DFSFMLJYSA-N 282.387 3.551 30 20 CHED COC(=O)c1oc(/C=C2\CCCC(C)(C)C2=O)cc1C 853004338 BSKGXZIYRZOOKK-PKNBQFBNSA-N 276.332 3.537 30 20 CHED C=CCCC(C)(C)NC(=O)NCCSC(C)(C)C 853651159 RDTCUSXHLVOOJV-UHFFFAOYSA-N 272.458 3.562 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c(F)c1 750696903 KCJKFRISWHAMRK-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C/c1cccc(F)c1 851212825 BPDWXXALSPHAJP-GUOLPTJISA-N 275.323 3.710 30 20 CHED N#Cc1ccc(NC2CCC(N3CCCCC3)CC2)cc1 751111341 RZCLUTPJDIFVSD-UHFFFAOYSA-N 283.419 3.767 30 20 CHED Fc1cc(F)c(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)cc1F 755730808 NFRKSOKATMMCRB-LPEHRKFASA-N 266.266 3.714 30 20 CHED C[C@H]1CC[C@@H](CC(=O)OCc2ccc(C#N)cc2F)C1 759407210 RVJCYRFGYLIYNR-NWDGAFQWSA-N 275.323 3.567 30 20 CHED C=C1CN(C(=O)Nc2cc(C(F)(F)F)c(F)cc2C)C1 931529837 PONXVZHUWRIOJF-UHFFFAOYSA-N 288.244 3.557 30 20 CHED C=CCOCCCC(=O)Oc1ccc(C2CCC2)cc1 767230419 OCQORAFVLPYHJC-UHFFFAOYSA-N 274.360 3.842 30 20 CHED C=CCCCC(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1 869891508 PTWBURZHUDEKKO-CYBMUJFWSA-N 287.281 3.577 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1nc2ccccc2n1C 766010282 LTTBDYKHROVLPC-LLVKDONJSA-N 270.380 3.797 30 20 CHED CC(C)[C@@H]1CC(=NOC[C@@H]2CCOC2)c2ccccc21 766478750 VESQSNYVSPFYRC-CJNGLKHVSA-N 273.376 3.587 30 20 CHED C#CCN(Cc1cnc(C2CC2)o1)[C@H]1CCc2ccccc21 862213115 VPRHFVWJMAZBCP-SFHVURJKSA-N 292.382 3.675 30 20 CHED COc1cc(C(=O)OCCCCC(C)(C)C#N)ccc1F 768766519 CNSWFMHZLCVWPN-UHFFFAOYSA-N 293.338 3.711 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccsc2C(F)F)C1 933014352 PNDJMZURSRKLLM-LKFCYVNXSA-N 298.358 3.888 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)ccc1C#N 766492834 YKZAYHMFEAZHPQ-ZZXKWVIFSA-N 289.334 3.698 30 20 CHED C#CCCCC(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 760208844 QPIKYRCKVWATHN-GOSISDBHSA-N 283.415 3.580 30 20 CHED C#CCOc1ccccc1[C@@H](C)OC(=O)C(C#N)(CC)CC 860533784 WVSDSAAYXKAZKT-CQSZACIVSA-N 299.370 3.633 30 20 CHED C#CCN(Cc1ccc(-c2ccccc2)o1)C1CC1 764684614 ZOAIKNCZFGBSPD-UHFFFAOYSA-N 251.329 3.544 30 20 CHED CC(C)CNN=Cc1csc(-c2ccc(F)cc2)n1 767179686 HNZHSMIBQMZGIG-UHFFFAOYSA-N 277.368 3.529 30 20 CHED C=CC[C@H](C(=O)OCc1cnc(C2CC2)o1)c1ccccc1 861376080 VKEIBAAZOBFZKX-INIZCTEOSA-N 297.354 3.955 30 20 CHED C=CCC[C@@H](Nc1ccc2c(c1)C[C@H](OC)C2)C1CC1 760884879 JDKRDYQOITYZBZ-QZTJIDSGSA-N 271.404 3.957 30 20 CHED CCCC1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 1116444426 SEWHATAFBBDDIS-HNNXBMFYSA-N 286.419 3.990 30 20 CHED C[C@H]1CC(=NNc2ccc(C(F)(F)F)nn2)CC[C@H]1C 767386850 FBRVNBWMFSDUGV-BDAKNGLRSA-N 286.301 3.719 30 20 CHED COCc1cccc(C(=O)OCCCCC(C)(C)C#N)c1 768524826 KPOSNSYZRRBPBK-UHFFFAOYSA-N 289.375 3.710 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1sccc1O 769789754 GKHYTOHAHAZCDA-UHFFFAOYSA-N 286.278 3.707 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnccc1C(F)(F)F 876484174 LCAXHYOHOGCDRC-UHFFFAOYSA-N 284.281 3.807 30 20 CHED COC[C@H](C)NN=Cc1ccc(-c2ccc(F)cc2)s1 777892870 FDFNYPJMCXUIEB-NSHDSACASA-N 292.379 3.513 30 20 CHED C#CC[C@H](NC(=O)C1=CCCCCC1)c1ccccc1 775458716 FGJIMVUDZZOIOK-KRWDZBQOSA-N 267.372 3.758 30 20 CHED Cc1cc(CNc2ccc(F)cc2OCC#N)ccc1C#N 775055984 JKENGEHUBVEKHJ-UHFFFAOYSA-N 295.317 3.520 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1cccc(F)c1F 776258213 QLRIUZJCASXHQN-UHFFFAOYSA-N 286.285 3.677 30 20 CHED CC(C)(C#N)CCN(CCc1ccccc1)C1CC1 776578071 CWLNBWOYZLQWGW-UHFFFAOYSA-N 256.393 3.633 30 20 CHED COCc1ccc(/C=C2/Oc3cc(F)ccc3C2=O)cc1 773170326 DKSNLQOVEXKIQY-LZYBPNLTSA-N 284.286 3.588 30 20 CHED Fc1cc(-c2cccs2)ccc1C=NN=c1cc[nH]cc1 779808562 CLVAMXMSIBRCFN-UHFFFAOYSA-N 297.358 3.817 30 20 CHED CCCCCCCCNC(=O)NOC1CCCC1 774765000 QDMJHGQEOJMTLF-UHFFFAOYSA-N 256.390 3.520 30 20 CHED CC(=NOC1CCCC1)c1cnc2ccsc2c1 774603448 TZUYLBPUXJHIHD-UHFFFAOYSA-N 260.362 3.980 30 20 CHED C#CCCCN1CCn2c(cc3ccc(Cl)cc32)C1 773975980 XIAKOULUQNFCQO-UHFFFAOYSA-N 272.779 3.524 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(-c2ccccc2F)o1 775184900 YDKZINDZYQMSER-LBPRGKRZSA-N 257.308 3.539 30 20 CHED Cc1ccc(-c2ncc(C=NNCC(C)C)s2)cc1 771568401 ZURYTOXIGWZOFN-UHFFFAOYSA-N 273.405 3.698 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cccc(Cl)c1F)OCC 774871542 BJESRZJGGWEQOB-LBPRGKRZSA-N 286.730 3.756 30 20 CHED N#Cc1cc(/C=C2\Oc3ccc(Cl)cc3C2=O)ccc1F 770574144 WNVNCDPEWADGCU-UUASQNMZSA-N 299.688 3.967 30 20 CHED CCCCCCCCCNC(=O)Nc1ccnn1CC 776019881 RLNOTGUXIXXEJG-UHFFFAOYSA-N 280.416 3.775 30 20 CHED C#CCCCN[C@H](C)c1ccc(OCC(C)C)c(OC)c1 775153231 OPIXRFLAOIUTAB-OAHLLOKOSA-N 289.419 3.794 30 20 CHED Cc1cc(C)cc(/C=C2\C(=O)Nc3cc(C#N)ccc32)c1 773161258 QQARXDUCYNOJAX-PXNMLYILSA-N 274.323 3.668 30 20 CHED C=C1CCC(C(=O)Nc2ccc(C#N)cc2Cl)CC1 889597760 ROXTXZKPQOMWDY-UHFFFAOYSA-N 274.751 3.897 30 20 CHED C#CC[C@@H](NCCCCOC(C)(C)C)c1ccccc1 789363026 RGJJONMPGPQDPT-QGZVFWFLSA-N 273.420 3.936 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC23CCCC3)o1 788712478 HSLWQJDOEFREHW-UHFFFAOYSA-N 272.352 3.792 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)/C=C/C1CCCCC1 785560144 VJLGCRRYXQTMNO-JGZYNSJSSA-N 294.398 3.798 30 20 CHED CC[C@@H]1CCCC[C@@H]1OCC(=O)OCCCC(C)(C)C#N 784741073 LHZSMDQRQRYAFR-CABCVRRESA-N 295.423 3.845 30 20 CHED C=C1CCC(C(=O)N(CCCC)c2ccncc2)CC1 893137653 GOEQJXMBNLWGBV-UHFFFAOYSA-N 272.392 3.961 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)Nc1ncc(C#N)s1 896485482 SGNFOZMKCHGTEN-LBPRGKRZSA-N 299.399 3.612 30 20 CHED C=CCCCCCOC(=O)C[C@H]1CCO[C@H](CC)C1 784648848 NDWXYHIHLSLINO-LSDHHAIUSA-N 268.397 3.871 30 20 CHED C#CCCCN[C@@H]1CCc2cc(Br)cc(C)c21 786827557 DOWMPBXYEHLICB-CQSZACIVSA-N 292.220 3.748 30 20 CHED O=C(/C=C/c1cc(F)cc(Cl)c1)c1cncs1 787170955 DYKXCBFSWOFVDR-OWOJBTEDSA-N 267.712 3.832 30 20 CHED C=CCCCCNC(=O)Nc1cc(C)cnc1Cl 787440264 FKNMAIPSNFBVNR-UHFFFAOYSA-N 267.760 3.521 30 20 CHED C=CCOc1cccc(CNc2cccc(Cl)n2)c1 785722016 WYGBNYOOLDZSTQ-UHFFFAOYSA-N 274.751 3.912 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccccc2)c(Cl)c1 783774149 SCQHWDYBRDNHIP-UHFFFAOYSA-N 275.695 3.694 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@@H](C)CC2)c1 785474908 KWBPGBYZQBEJPE-UKRRQHHQSA-N 286.444 3.923 30 20 CHED CCc1cc(C#N)ccc1OC(=O)CCc1ccccc1 799444416 POVOUUARHPBLQK-UHFFFAOYSA-N 279.339 3.659 30 20 CHED CC#CCCCC(=O)N(CC(C)(C)C)c1ccccn1 891495871 GEYXSGBYIBXQJG-UHFFFAOYSA-N 272.392 3.654 30 20 CHED CCc1ccnc(C/N=C/c2cc(Cl)ccc2O)c1 797784656 DGUDEBCBCSTPHH-RQZCQDPDSA-N 274.751 3.622 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(C)C 799047440 ZPNBUPXQDKOTOY-GWCFXTLKSA-N 298.213 3.871 30 20 CHED C=CCCCCC[C@H](C)NC[C@](C)(O)c1ccco1 793531592 DESXQNLLZNFSFC-HOCLYGCPSA-N 265.397 3.602 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccnn2-c2ccccc2)cc1 798372221 JHBNKDNFIOPGMU-ZHACJKMWSA-N 299.333 3.640 30 20 CHED C#CCCCCNCc1ccc(N(C)c2ccccc2)nc1 797875117 RADQGNPCOKCTOS-UHFFFAOYSA-N 293.414 3.743 30 20 CHED COC(=O)c1cc(NN=C(C)c2ccccc2)ccc1C 793089814 MMLGMFMXXAEYQD-UHFFFAOYSA-N 282.343 3.618 30 20 CHED CC(C)Oc1ccc(N[C@H](C)[C@@H]2CCCOC2)cc1C#N 793063141 MPPUQHWNHHQEGI-ZIAGYGMSSA-N 288.391 3.572 30 20 CHED CCCCCCCC(=O)NOCc1ccccc1OC 799093378 PXNHWOBVEVDCAW-UHFFFAOYSA-N 279.380 3.604 30 20 CHED C=CCC1(C(=O)OCc2cccc(COC)c2)CCC1 791557933 IYHJIRHUKFKEAO-UHFFFAOYSA-N 274.360 3.623 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 1138961377 KAESJWRYTYJGLP-SGMGOOAPSA-N 285.391 3.611 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1cccc(F)c1[N+](=O)[O-] 790311054 VXTBCJBKEPKGBP-QWRGUYRKSA-N 279.315 3.958 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(Br)cc1 796713656 KHNGYDKEPWHJNY-UHFFFAOYSA-N 283.165 3.957 30 20 CHED C=C(C)CCc1noc(CN(CC)c2ccccc2)n1 795764733 UBTSLVOZYSMDNO-UHFFFAOYSA-N 271.364 3.605 30 20 CHED c1cncc([C@H]2CCCC(=NO[C@H]3CCCCO3)C2)c1 799884716 JBHBBCOQVQSXQS-BBRMVZONSA-N 274.364 3.638 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCN2CCC[C@@H]2C1 793521294 JXRQXXDCZGWVMU-YESZJQIVSA-N 264.457 3.728 30 20 CHED C=CCC1(C(=O)OCc2ncc(C(C)(C)C)o2)CCC1 791560762 MOFABXQSIDWMGW-UHFFFAOYSA-N 277.364 3.762 30 20 CHED Cc1ccc(C=NN[C@@H](C)C(C)(C)C)c(-c2cnn(C)c2)c1 793113416 DNXXMNMVXALMAY-AWEZNQCLSA-N 298.434 3.754 30 20 CHED CC(=NN=c1cc[nH]cc1)[C@@H](C)c1ccc(Cl)cc1 794530143 JWMSBDRKOMDRDJ-LLVKDONJSA-N 273.767 3.748 30 20 CHED CO[C@]1(C)CCCN(c2ccc(C#N)cc2Cl)CC1 893627524 OSLOSWDLJHQZCC-OAHLLOKOSA-N 278.783 3.607 30 20 CHED COc1ccc(C#N)cc1CN(C)Cc1c(C)cccc1C 1308112810 JRRNVJONCBNZCE-UHFFFAOYSA-N 294.398 3.816 30 20 CHED Cc1cc(C#N)nc(N[C@H](C2CCCCC2)C2CCC2)n1 1307151531 XNORGXGECBNBBP-MRXNPFEDSA-N 284.407 3.818 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@@H](C3CC3)[C@@H]2C2CC2)n1 1307122666 JOBWWYLLERAOMK-RDJZCZTQSA-N 295.430 3.876 30 20 CHED Cc1cccc(/C=C2/COc3ccc(F)cc3C2=O)c1 207174311 NAHIPYGRRBBAEO-JYRVWZFOSA-N 268.287 3.793 30 20 CHED CC(C)CC1CCN(Cc2ccc(F)c(C#N)c2)CC1 1167633459 FXDCXEZWDZIRHM-UHFFFAOYSA-N 274.383 3.955 30 20 CHED CC(C)Oc1ccc(Br)cc1N[C@@H](C)C#N 135063887 PHYHMJHEPTVYIA-VIFPVBQESA-N 283.169 3.560 30 20 CHED C(#C[C@@H](C1CCCCC1)N1CCCCC1)c1ccccn1 98179923 PNWMLCMUUCNKIW-IBGZPJMESA-N 282.431 3.868 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc(Br)c2)C1 185722840 IXNIQLVPGRVQPN-JQWIXIFHSA-N 279.181 3.943 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@H]2CCCC[C@H]2C1 1323443763 GOALPOUUSVBGEY-SJORKVTESA-N 293.451 3.788 30 20 CHED C=CCCC(=O)N1CCC(Cc2ccc(C)cc2)CC1 1325204605 VCOULVSCJXZYER-UHFFFAOYSA-N 271.404 3.742 30 20 CHED CCN(Cc1ccccc1F)Cc1cccc(C#N)c1F 1249687536 HNNCKJSSZQRGCG-UHFFFAOYSA-N 286.325 3.859 30 20 CHED N#Cc1cccc(COc2ccc(C#N)c(Cl)c2)c1 190262306 YUANKMUKUWKSCX-UHFFFAOYSA-N 268.703 3.662 30 20 CHED Cc1cc(CSCCCn2ccnc2C)ccc1C#N 1325369338 JIFYTJGNGJVAEH-UHFFFAOYSA-N 285.416 3.695 30 20 CHED C=CCC1(C(=O)N[C@H]2CC[C@@H](SC)C2)CCCC1 1324702509 LGVKIHBTMOPCMQ-QWHCGFSZSA-N 267.438 3.523 30 20 CHED C=CCCCCN1CCCC[C@@H]1c1noc(C2CC2)n1 649252517 NPWIDICOGRAXIS-CQSZACIVSA-N 275.396 3.830 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NCCc2ccc(C#N)cc2)C1 1258151692 MTTFVMGVDUDCJC-HALDLXJZSA-N 256.393 3.515 30 20 CHED N#Cc1ccc(OCC(=O)c2ccc(Cl)cc2)cc1F 66748859 WSTPQCIADBIDBN-UHFFFAOYSA-N 289.693 3.612 30 20 CHED CC(C)CNN=C[C@H]1CCC[C@@H](C(F)(F)F)C1 1330648186 GIYNFPLFYSLMQZ-WDEREUQCSA-N 250.308 3.587 30 20 CHED N#Cc1cccnc1NC1CCC(C2CCC2)CC1 695810632 FQKMXTQHUFYNLS-UHFFFAOYSA-N 255.365 3.724 30 20 CHED CC(C)c1oc(-c2ccccc2)nc1C(=O)OCCCC#N 1337845733 SFYLSMIAWTYBFG-UHFFFAOYSA-N 298.342 3.926 30 20 CHED COCc1ccc(CNc2cc(Cl)ccc2C#N)cc1 96470656 KACSAGINACUZFB-UHFFFAOYSA-N 286.762 3.970 30 20 CHED CC[C@@H]1CN(Cc2cccc(C#N)c2F)c2ccccc2O1 1191268275 KBXOYFFKRBDNEN-OAHLLOKOSA-N 296.345 3.875 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CC3(CC3)C2)s1 1343476228 DTLOTUPCZBWYBO-NSHDSACASA-N 288.416 3.807 30 20 CHED CCOc1cccc(/C=C/C(=O)OCC2(C#N)CCCC2)c1 1357700071 CKFPWRMYIDUEHC-CMDGGOBGSA-N 299.370 3.726 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ncc(Cl)cc1Cl 1514858829 KZMUAKRIZUSWEW-LLVKDONJSA-N 299.201 3.959 30 20 CHED C[C@@H]1[C@@H](OC(=O)C2(c3cccc(C#N)c3)CC2)CCC[C@H]1C 1520874742 HGIPNWWZRMBSRQ-KEYYUXOJSA-N 297.398 3.958 30 20 CHED C=C(CC)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 1520147072 WRZOTTOUAIQPQO-HIFRSBDPSA-N 261.340 3.544 30 20 CHED Cc1cc(COC(=O)c2cccc(C#N)c2)ccc1Cl 1536697049 ZEUSYZHRSXODAS-UHFFFAOYSA-N 285.730 3.877 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CN=c1cc[nH]cc1C#N 1458141974 IFRIFGNKUJSHCO-DZGCQCFKSA-N 271.408 3.640 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NC[C@@H](C)CC(F)(F)F 1521567956 UDHPLBUXYDGMKA-NWDGAFQWSA-N 292.345 3.715 30 20 CHED Cc1coc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1C 1523893884 GITNJQWRMMBRPQ-LLVKDONJSA-N 280.283 3.528 30 20 CHED CC(C)[C@@H](CNC(=O)c1ccsc1C#N)c1ccccc1 1524975917 UDYUNGUCVCGYSS-OAHLLOKOSA-N 298.411 3.789 30 20 CHED CCN(Cc1cccs1)C(=O)[C@H](CC#N)c1ccccc1 1532715859 LOTLLJTVOWDBEW-MRXNPFEDSA-N 298.411 3.794 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NNCC(C)(C)F 1552762888 NIZPSXPLEFEODX-UHFFFAOYSA-N 275.371 3.814 30 20 CHED CCc1nc(C#N)cc(NCC(C)(C)C2CCCCC2)n1 1639664350 BWMNTQNRFJNKKV-UHFFFAOYSA-N 286.423 3.929 30 20 CHED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)[C@H](C)CC)n1 1640838429 NACIVIMLPQFMQI-MNOVXSKESA-N 292.404 3.657 30 20 CHED COc1ccc(C#N)cc1CN[C@@H]1CCC(C)(C)C[C@@H]1C 1642811273 CBAZVBGSWAASBS-XJKSGUPXSA-N 286.419 3.871 30 20 CHED CO[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)CC(C)C 1640043427 REUCFWGKSCYCGD-CQSZACIVSA-N 289.423 3.724 30 20 CHED CCOc1cc(Oc2cc(Cl)ccc2C#N)nc(C)n1 1651639110 YDRUZUJMAAVYFO-UHFFFAOYSA-N 289.722 3.501 30 20 CHED C=C(C)c1cccc(NC(=O)c2ccc(C(=O)O)s2)c1 1588605486 JCKSCKCOPOBNCD-UHFFFAOYSA-N 287.340 3.732 30 20 CHED CC(C)CCOC(=O)N[C@H]1CCCc2cc(C#N)ccc21 1663934458 QJUPYGXYKTXPAF-INIZCTEOSA-N 286.375 3.708 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C)cc(C#N)c1)C1CCCC1 1678413529 XXLILOCBWQDKNQ-MRXNPFEDSA-N 285.391 3.957 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@@H]2CC[C@@H](C)C2)CC1 1776168312 SWKPCWLOFLELBH-HUUCEWRRSA-N 279.424 3.556 30 20 CHED C=CCC[C@@H](NCc1cccc(-c2ccccc2)c1)C(=O)O 1776166999 FCEFHDVNHYSSJH-GOSISDBHSA-N 295.382 3.863 30 20 CHED C#C[C@@H](C)OC(=O)c1cc(C(C)C)nc2ccccc12 162362158 TYAIXUYQRAFOBY-GFCCVEGCSA-N 267.328 3.537 30 20 CHED C[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H](CCC#N)c1ccccc1 160507564 ZLJGIXXJGHRTBT-FMKPAKJESA-N 285.391 3.614 30 20 CHED C[C@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)C1 151309169 OCWDFCUJKPQZDE-ZOBUZTSGSA-N 299.418 3.861 30 20 CHED C=CCCSCC(=O)Nc1cccc(Cl)c1C 151969648 ZNFWTUPEGHTJME-UHFFFAOYSA-N 269.797 3.896 30 20 CHED C=C[C@H](CC(=O)Nc1ccccc1O)c1ccccc1 157611032 DDDYPQLLVGOCLC-CYBMUJFWSA-N 267.328 3.691 30 20 CHED CC(C)(CCC(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 157743326 DDHXPPATGMMNHM-HNNXBMFYSA-N 286.419 3.799 30 20 CHED N#Cc1cccc2c1CCN2Cc1cc(F)ccc1Cl 1643505239 GAJXDFVLODVHLA-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=C(Cl)CN1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C 1643667247 VVEUPAPTSSWYSH-ARFHVFGLSA-N 292.854 3.722 30 20 CHED C#C[C@](C)(CC)NCc1csc(-c2cccs2)n1 852097582 RKDJARHSHAFFQB-CQSZACIVSA-N 276.430 3.763 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 226189032 ZMIWOJHHTCTMMV-MDZLAQPJSA-N 273.336 3.703 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCCC1CCCCC1 127374585 KUUPPWSMYNSETP-HNNXBMFYSA-N 250.386 3.545 30 20 CHED C[C@H](CCc1ccco1)N[C@H](C)c1cccc(C#N)c1 37232966 JQNRAEGPKUBDTL-ZIAGYGMSSA-N 268.360 3.823 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H]2CCCC[C@@H]2C1 165445598 MALLBMVXTPZBJZ-FUHWJXTLSA-N 268.404 3.879 30 20 CHED Cc1cc(CNc2ccc(OCC#N)cc2)ccc1F 50544688 VTWZDQTULCMDOD-UHFFFAOYSA-N 270.307 3.649 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc2ccccc12 54178214 MLOUXJODNNGOKO-ZDUSSCGKSA-N 267.332 3.654 30 20 CHED N#CC1(C(=O)N[C@H]2CCCc3sccc32)CCCCC1 61366822 LNAMPNMMGOWLIX-ZDUSSCGKSA-N 288.416 3.716 30 20 CHED C[C@@H]1CCCCN1CCCNc1cc(Cl)ccc1C#N 62785201 DKDRHFWUWLLWFH-CYBMUJFWSA-N 291.826 3.888 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccccc2Br)C1 308857073 UEDFZIKSFFAHHP-VHSXEESVSA-N 265.154 3.553 30 20 CHED N#Cc1ccnc(N[C@H]2CCCCC23CCCC3)c1 311454968 KIRGPOFKVNDVEK-AWEZNQCLSA-N 255.365 3.868 30 20 CHED CC(C)c1ccc(CNc2cccc(C#N)n2)cc1 80118272 FTFYQAVBWGLWGW-UHFFFAOYSA-N 251.333 3.689 30 20 CHED C[C@H](c1ccccc1)N(CC#N)Cc1ccccc1 343011620 URUTWMSLCXWTJE-OAHLLOKOSA-N 250.345 3.773 30 20 CHED C=C(CNC1CCN(C(C)(C)C)CC1)c1ccccc1 675782702 WYUQILWASJEUKA-UHFFFAOYSA-N 272.436 3.552 30 20 CHED CCCCCCCCNCc1cnn(C)c1Cl 712455301 LFCBGHSVWLPALS-UHFFFAOYSA-N 257.809 3.524 30 20 CHED Cc1ccc(C)c(NC(=O)CCc2ccc(C#N)cc2)c1 10402134 KLIWCSKNKPMSSC-UHFFFAOYSA-N 278.355 3.746 30 20 CHED C=CCCC(=O)N[C@H](C)c1cccc2ccccc12 32192673 JJWARMNVHCYDNX-CYBMUJFWSA-N 253.345 3.983 30 20 CHED N#Cc1ccc(Sc2ccccc2[N+](=O)[O-])cc1 35286684 SCSVPCFQBCNBEV-UHFFFAOYSA-N 256.286 3.618 30 20 CHED CCN(CC)C[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 41680762 HNARSGYVWDGZAK-NSHDSACASA-N 299.340 3.719 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1 42321112 HCYZQXUEZQUTGL-NSHDSACASA-N 272.298 3.687 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Cc1ccccc1F 45935013 SPEWPWMXRGNQME-UHFFFAOYSA-N 283.346 3.583 30 20 CHED N#Cc1ccc(OCCN2CCC[C@H]2c2ccsc2)cc1 46089228 JRGXCLCREIPTQN-KRWDZBQOSA-N 298.411 3.836 30 20 CHED N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)c1ccccn1 46439688 VGZBLVGEWIGJIC-DEBLGDTFSA-N 282.730 3.625 30 20 CHED CCN(C(=O)[C@H](C#N)CCc1ccccc1)c1ccccc1 57683340 KFYDYJHLVVJRHD-KRWDZBQOSA-N 292.382 3.812 30 20 CHED C=CCn1c(SCC)nnc1-c1ccc(Cl)cc1 59794921 ZINAMMCQFMUMQC-UHFFFAOYSA-N 279.796 3.897 30 20 CHED C=CCCC(=O)NCC1(c2ccccc2OC)CCCC1 60365060 AQRKSTKTVFAONL-UHFFFAOYSA-N 287.403 3.589 30 20 CHED N#CCOc1ccc(CN[C@@H]2CCCc3sccc32)cc1 61360055 GDJCTKGLMYIOMO-MRXNPFEDSA-N 298.411 3.818 30 20 CHED C#CCCCOC(=O)c1csc(-c2ccccc2C)n1 67627732 PWJOVGZZMHEBLI-UHFFFAOYSA-N 285.368 3.689 30 20 CHED C=CCN(C(=O)Cc1ccc(F)cc1)c1ccccc1 71846224 PBTTZOYYYKPDTO-UHFFFAOYSA-N 269.319 3.587 30 20 CHED Cc1ccc(NCc2ccc(F)c(C#N)c2)c(C)c1 83399083 MGJCNPSQUMZRQV-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1ccc(OC)c(C#N)c1 87823557 XIJDQIUAWYJXBK-GOEBONIOSA-N 272.392 3.625 30 20 CHED C=CCCCC(=O)N1C[C@H](C)Sc2ccccc21 88223302 JHOYTMZKWVBKEJ-LBPRGKRZSA-N 261.390 3.870 30 20 CHED CCOc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1O 96766335 RNWJFOMPRWTESU-VURMDHGXSA-N 286.302 3.826 30 20 CHED C[C@H](CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1F 102607329 SXNGGZJWBUOCBF-CYBMUJFWSA-N 296.345 3.854 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 105019751 XHNQQLKILRRCIT-UHFFFAOYSA-N 290.363 3.624 30 20 CHED CCCCCCCC(=O)Nc1n[nH]c2ccccc12 106225605 MYZHXWNOSOZCBO-UHFFFAOYSA-N 259.353 3.862 30 20 CHED CN(CC1CCCC1)c1c(C#N)cnc2ccccc12 110845556 SYJHSXRWLSMQIM-UHFFFAOYSA-N 265.360 3.733 30 20 CHED CC(C)(C#N)c1ccc(Nc2ccc3nccnc3n2)cc1 112073878 GYKNMKWVJUPZOK-UHFFFAOYSA-N 289.342 3.570 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(C)Cc1ccc(C#N)cc1 114233018 SMRUAQYBDDRLDX-AWEZNQCLSA-N 284.403 3.733 30 20 CHED N#CC1(C(=O)Nc2ccc(Oc3ccncc3)cc2)CCC1 119637100 VQZMUNQNNBBQLE-UHFFFAOYSA-N 293.326 3.506 30 20 CHED N#Cc1csc(CNc2ccc3ncsc3c2)c1 120692738 FCNJDTUIRVCOPT-UHFFFAOYSA-N 271.370 3.842 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1ccc(C#N)cc1)C2=O 122557880 DFFHLYWAKGXUAH-LFIBNONCSA-N 289.334 3.916 30 20 CHED C=C(C)CNC(=O)c1ccc(SC(F)(F)F)cc1 123041991 GOEVZIPFNMEPPL-UHFFFAOYSA-N 275.295 3.604 30 20 CHED C#CCCOc1ccc(CNc2c(C)nn(CC)c2C)cc1 124399860 YPPSXYBASSQVEJ-UHFFFAOYSA-N 297.402 3.534 30 20 CHED C=C[C@H](C)NC(=O)NC(c1cccs1)c1cccs1 128441334 SLNSADWHVRSXBA-JTQLQIEISA-N 292.429 3.773 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1cccc(C#N)c1 128447065 GMYCPUDXDNWQDS-SOFGYWHQSA-N 292.294 3.671 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 132274122 BLAHZXNUKLEXNC-GFCCVEGCSA-N 299.330 3.589 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc2c(s1)CCCCC2 132764545 GCHPGBMEWONXJE-UHFFFAOYSA-N 287.428 3.502 30 20 CHED N#Cc1ccc(NCc2ccc(OC(F)F)c(F)c2)cc1 132852074 POSGELXGKACCQG-UHFFFAOYSA-N 292.260 3.911 30 20 CHED CC(C)c1ccc(C[C@@H](C)NC(=O)C2(C#N)CCC2)cc1 134200709 QQXYKSNKQACSQQ-CQSZACIVSA-N 284.403 3.551 30 20 CHED C=CCCC(=O)CSc1nccn1-c1ccccc1C 134672690 JLAOOQHBARCTDU-UHFFFAOYSA-N 286.400 3.808 30 20 CHED Cc1cnc([C@@H](C)Nc2c(F)cc(C#N)cc2F)s1 134930446 PKIGARPQMNYIIW-MRVPVSSYSA-N 279.315 3.775 30 20 CHED C=CC1CCN(C(=O)[C@@H](Cc2ccccc2)C(C)C)CC1 151972873 QSQJVEJQDGIMRC-SFHVURJKSA-N 285.431 3.926 30 20 CHED C=CCC[C@@H](NC(=O)c1c(C)noc1C)c1ccccc1 154243156 CLLUUWCHBMCYGE-OAHLLOKOSA-N 284.359 3.729 30 20 CHED CN(CCCc1ccccc1)CC(C)(C)CCC#N 154251464 AWXYQZWCDSAEPF-UHFFFAOYSA-N 258.409 3.881 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(CC)o1 155536848 YGFKDJQICAOXDK-MRXNPFEDSA-N 282.343 3.595 30 20 CHED CC[C@@H](C(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1 157831431 ITTNUHISJQCUQQ-QGZVFWFLSA-N 296.345 3.507 30 20 CHED CC(C)(C#N)CCC[S@@](=O)c1ncc(C(C)(C)C)s1 160427358 UBKJBNXOMBJQLZ-IBGZPJMESA-N 298.477 3.878 30 20 CHED C=CCCN[C@@H](C)c1sc(C(C)(C)C)nc1C 161717711 IMEXGMAPQHUVQM-JTQLQIEISA-N 252.427 3.976 30 20 CHED CCC[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCO1 167355427 MNVNNZDSAVDNPT-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C[C@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 173302132 QAILADZMLSRXBW-SUMWQHHRSA-N 291.354 3.783 30 20 CHED CCN(C(=O)c1ccc(C)c(OC)c1)c1ccc(C#N)cc1 174074849 INALEZLENURNAH-UHFFFAOYSA-N 294.354 3.542 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ncc(CC)s1 174235544 XGBPXCRFIKRSMV-UHFFFAOYSA-N 281.425 3.916 30 20 CHED CC(=O)c1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1 175764350 WYFBPXNPXAXVGI-CYBMUJFWSA-N 293.322 3.679 30 20 CHED C=CCN1CCCCC[C@H]1C[C@H](O)c1cccs1 175852761 KTRVSJMAZAGWEG-KBPBESRZSA-N 265.422 3.602 30 20 CHED N#CCCCCNC(=O)Nc1ccc2nc(C3CC3)oc2c1 177186714 ARLMRFWXYAFJON-UHFFFAOYSA-N 298.346 3.521 30 20 CHED N#Cc1cc(F)ccc1CN1CCS[C@H]2CCCC[C@@H]21 177195861 DKAHNSRLZNKLLK-HOTGVXAUSA-N 290.407 3.557 30 20 CHED CC(C)c1nc(C(=O)Nc2ccc(F)cc2C#N)cs1 177572715 DMKLTEMLHFAIAV-UHFFFAOYSA-N 289.335 3.530 30 20 CHED COc1cc(C#N)ccc1CNc1ccc2scnc2c1 179457304 ICGAUDPOEGTLII-UHFFFAOYSA-N 295.367 3.789 30 20 CHED COc1ccc(C#N)cc1CN[C@@H](c1ccccc1)C1CC1 179697909 OUGYZQXKHRNYMP-IBGZPJMESA-N 292.382 3.808 30 20 CHED N#CCOc1cc(F)ccc1NCc1cccc2[nH]ccc12 181547979 PNLQRWXZJRRHQW-UHFFFAOYSA-N 295.317 3.821 30 20 CHED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1c(C)noc1C 182080737 JRMZADDBVBWKSP-BZNIZROVSA-N 283.375 3.965 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OCC)c2cccnc12 186040158 FBKNBNCCHLQWIX-UHFFFAOYSA-N 299.374 3.673 30 20 CHED C[C@@H](NC(=O)C(C)(C)C#N)c1cc(Cl)ccc1Cl 187172174 MZGVCYAKQJLWIL-MRVPVSSYSA-N 285.174 3.720 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(F)c2)cnn1C(C)(C)C 188868709 OJHBDMCOQUCUGS-CMDGGOBGSA-N 286.350 3.982 30 20 CHED C=CCC1(C(=O)Nc2ccc(-n3cccn3)c(F)c2)CCC1 189028262 COCZGEBJWDEUFE-UHFFFAOYSA-N 299.349 3.696 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 192093203 GHRAOEUEHLZQAI-QGZVFWFLSA-N 285.387 3.552 30 20 CHED CCCCCCCC(=O)N1CCn2c1nc1ccccc12 192799238 HNZXRMOVDGWGQB-UHFFFAOYSA-N 285.391 3.743 30 20 CHED CC(C)(CCC#N)CNCc1ccc2ncccc2c1 192981471 TXBAYHONKCAJLB-UHFFFAOYSA-N 267.376 3.654 30 20 CHED COc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1Cl 193075400 LJDDOTNBHQAFLH-WDEREUQCSA-N 264.756 3.843 30 20 CHED COc1cccc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@@H]2C)c1 213220145 MFXRGILJYYPMMM-QQMDNXKGSA-N 298.313 3.923 30 20 CHED CC1(C)C(C(=O)Nc2ccc(C#N)cc2Cl)C1(C)C 226348734 QIDFSUPJIXWHQW-UHFFFAOYSA-N 276.767 3.832 30 20 CHED CC(C)[C@H]1CCCN1c1ccc(C#N)c(Br)c1 228190003 JENVPWNPPLQRBO-CQSZACIVSA-N 293.208 3.946 30 20 CHED N#Cc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)ccc1F 229747918 XLFLWWGPJWKZSO-YOEHRIQHSA-N 272.367 3.852 30 20 CHED Cc1ccc(CN(CCC#N)C(C)C)c(Cl)c1 232652265 OANZCLYTJIZGTN-UHFFFAOYSA-N 250.773 3.773 30 20 CHED C#CCCCCN[C@@H](C)Cc1ccc(Br)cc1 235139136 UGPQSJFPKIWRHQ-ZDUSSCGKSA-N 294.236 3.773 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1Nc1cccc(OCC#N)c1 235244988 NHPZPQMYNCQXLN-DOMZBBRYSA-N 258.365 3.826 30 20 CHED C[C@H]1CN(Cc2cc(C#N)cs2)[C@@H](c2ccccc2)CO1 245751268 NWJUAKYDNOBAPP-SUMWQHHRSA-N 298.411 3.582 30 20 CHED Cc1ccccc1C[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 248779239 HUXWFPWADLHSML-ZMSDIMECSA-N 256.393 3.598 30 20 CHED Cc1cccc(C(=O)/C=C\c2cnc3ccc(C)cn23)c1 255848852 XWZOWHVVFSBQJD-FPLPWBNLSA-N 276.339 3.847 30 20 CHED COC(=O)c1ccc(CSCCC(C)(C)C#N)cc1 266245935 NXCWNGOMNBSWRT-UHFFFAOYSA-N 277.389 3.646 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCCc2occc21 268176193 RUOONXGUDOSIGW-CQSZACIVSA-N 259.349 3.542 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)CCO1 270684789 DFDAFUREJCMNBN-ZWNOBZJWSA-N 293.798 3.612 30 20 CHED Cc1cnc(CN[C@@H](CCC#N)c2ccccc2)s1 271799847 PBXPMCCQWKVZMS-AWEZNQCLSA-N 271.389 3.586 30 20 CHED CC(C)C[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2)CCO1 272082280 WLAQZBRPQYCHPH-JCGIZDLHSA-N 286.419 3.803 30 20 CHED C=CCCN(C)CCCC(=O)Nc1c(C)cc(C)cc1C 276388733 JCGFZNQEGNMPMJ-UHFFFAOYSA-N 288.435 3.838 30 20 CHED CC[C@@H](N[C@@H](C)CCC#N)c1ccc(F)cc1F 278526717 DHRDMDSUYLJFBQ-IINYFYTJSA-N 252.308 3.698 30 20 CHED CC(C)(C#N)CCCCSc1nccn2ccnc12 278784705 ZKWVPZIRSRAZHX-UHFFFAOYSA-N 274.393 3.541 30 20 CHED CC(C)(CCC#N)CN[C@H]1C[C@H](c2ccccc2F)C1 280574854 GYCYLYSCJXZYOU-HDJSIYSDSA-N 274.383 3.991 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(C(CC)CC)c1C 281672833 JXWLZDQWUWMTRK-ZDUSSCGKSA-N 277.412 3.637 30 20 CHED C=CCC[C@@H](NC[C@@](C)(O)c1ccccc1)c1ccco1 286023306 JUYCULGOHILRSO-SJLPKXTDSA-N 285.387 3.784 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(-c2ccccc2)ns1 287833810 DBMBIIVMHVBYAM-HNNXBMFYSA-N 285.372 3.688 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc2c(c1F)CCC2=O 288762039 SNDABGSWCNOCDR-UHFFFAOYSA-N 288.318 3.628 30 20 CHED Cc1csc(NC(=O)CCC(C)(C)C)c1C#N 288911506 USMUFMJDLQBRON-UHFFFAOYSA-N 250.367 3.693 30 20 CHED C=CCC(CC=C)C(=O)N1CCC=C(c2ccco2)C1 289071007 OTXNZYRMYPUASG-UHFFFAOYSA-N 271.360 3.664 30 20 CHED CC[C@H]1CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 292658424 OCUUTKSXFLPORA-AWEZNQCLSA-N 271.364 3.504 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 293956672 ICECYXJDRPGKIY-FRFSOERESA-N 275.367 3.790 30 20 CHED N#C[C@]1(C(=O)Nc2ccc(Cl)c(F)c2)CC12CCCC2 294594482 UNPFLIAOTNVVSS-HNNXBMFYSA-N 292.741 3.892 30 20 CHED C[C@@H]1CCCCN1CCCCNc1ccc(C#N)cc1F 301141709 INPUOGMQBLXCFI-CQSZACIVSA-N 289.398 3.764 30 20 CHED CCc1nc(CCNc2c(Cl)cccc2C#N)cs1 301407538 MTEHUHHAYVOPCA-UHFFFAOYSA-N 291.807 3.885 30 20 CHED CC(C)[C@@H]1CN(c2c(Cl)cccc2C#N)CCS1 301470490 OQBPUBFDLRISOJ-ZDUSSCGKSA-N 280.824 3.789 30 20 CHED CCC1(CC)CCCN(c2ncccc2C#N)CC1 302772676 NNQDLHKTCIQWOG-UHFFFAOYSA-N 257.381 3.750 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1F 308073054 CHDOKQBWJZKVQD-UHFFFAOYSA-N 274.682 3.603 30 20 CHED Cc1nnsc1C/N=C(/O)CC1CCCCCC1 329094595 AZIJLMVDLWYZLX-UHFFFAOYSA-N 267.398 3.664 30 20 CHED CC(C)c1nnc2ccc(N=C(O)C3CC(C)(C)C3)cn12 329128770 ZSLJYJAHPWZFED-UHFFFAOYSA-N 286.379 3.877 30 20 CHED Cc1cnc(N=C(O)N2CC[C@H](C)C3(CCCCC3)C2)o1 329644319 ZBFBANIVPJMOTR-LBPRGKRZSA-N 291.395 3.821 30 20 CHED Cc1noc(C2CC2)c1N=C(O)[C@@H]1CCc2cccnc21 330135455 MVSMPKPIJPIPKK-GFCCVEGCSA-N 283.331 3.573 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@H]1CCCCO1 330177487 KSXIDQBWCGSRRC-CYBMUJFWSA-N 285.347 3.542 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2 334515582 MJDYJLBFHGDJQI-KDOFPFPSSA-N 282.387 3.680 30 20 CHED Cc1c(C(=O)N(C)c2ccccc2C#N)ccn1C(C)C 334524758 DZQILBFWDLORQW-UHFFFAOYSA-N 281.359 3.526 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1CC#N 335138148 FWBSCRWNOIZLIF-GXTWGEPZSA-N 256.349 3.517 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2cnn(CC)c2c1 335204264 VBCSAUXJZQSQFY-OAHLLOKOSA-N 298.390 3.629 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2sccc2C#N)CC1 335463316 CQUVZBOSOLLXJH-NSHDSACASA-N 260.362 3.695 30 20 CHED C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl 335583556 IILPKPWASXXVIK-GWCFXTLKSA-N 291.782 3.716 30 20 CHED C[C@@H](C#N)C(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 335998319 QMLBMAIOCONFBV-DTWKUNHWSA-N 285.174 3.672 30 20 CHED CSc1ccccc1[C@@H](C)Nc1cccc(C#N)n1 336941277 IEZLAYMAIBXVHS-LLVKDONJSA-N 269.373 3.848 30 20 CHED C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccn1 339232109 HYOXKIJICRJJGY-CYBMUJFWSA-N 293.370 3.625 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCC[C@@H]1F 340525628 WZXQARQQXKRSQJ-ULQDDVLXSA-N 272.367 3.806 30 20 CHED CC(C)[C@H](NCC1(C#N)CC1)c1ccc(F)cc1F 343582539 PWZKQPBQNJZIME-AWEZNQCLSA-N 264.319 3.555 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1sc(CCC)nc1C 343998938 WDCIYUUKNMNKKY-AWEZNQCLSA-N 266.410 3.945 30 20 CHED C=CCCCC(=O)N1CCCCc2cc(OC)ccc21 346085964 MGBBHVQCXJSDNI-UHFFFAOYSA-N 273.376 3.721 30 20 CHED C=CCOCCCN(Cc1ccc(F)cc1)C(C)C 347970194 MJNZTMRAQVUOBQ-UHFFFAOYSA-N 265.372 3.629 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1c(CC)noc1C 351611925 KIUJOWBHBQQVFG-UHFFFAOYSA-N 290.407 3.754 30 20 CHED C=C(CNC(=O)NCc1sccc1C)c1ccccc1 351879682 BEFWQMCVLDNGKX-UHFFFAOYSA-N 286.400 3.569 30 20 CHED N#Cc1ccccc1NCc1cccc(OC(F)F)c1 353078203 ORDRNHSWEAWIEX-UHFFFAOYSA-N 274.270 3.772 30 20 CHED CCOc1ccc2c(c1)CCN(Cc1cc(C#N)cs1)C2 354112394 XWXJSMLBVHIGBY-UHFFFAOYSA-N 298.411 3.577 30 20 CHED N#Cc1cc(F)ccc1CSCCC(F)(F)F 354531223 QPOJBZHXZXPMGM-UHFFFAOYSA-N 263.259 3.883 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2ccc(C#N)cc2)C1 355296213 FBNBVYXUSULNTC-IMRBUKKESA-N 256.349 3.569 30 20 CHED CS[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccccc1 359753762 AKVYKMYQNDDGFZ-CQSZACIVSA-N 290.432 3.537 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCC(C)(C)c2ccccc21 360647854 OCTBNNVRCAKRCP-YOEHRIQHSA-N 273.420 3.573 30 20 CHED Cc1oc2ccccc2c1CC(=O)Nc1ccccc1C#N 362226793 MIXNJMWSVGSOCY-UHFFFAOYSA-N 290.322 3.794 30 20 CHED Cc1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1 363285504 LXFFODMECXWJPW-IAGOWNOFSA-N 297.427 3.723 30 20 CHED N#C[C@H]1N(CCCc2ccccc2)CCC[C@@]12CCCCO2 375693698 RBKTYWBEAWYOLY-MOPGFXCFSA-N 298.430 3.546 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Br)c1 380219279 VSHUPSFROZTELZ-SECBINFHSA-N 295.180 3.551 30 20 CHED C=CCCCCCCNC1CCN(CC(F)(F)F)CC1 380369825 LZABYTHECLZKLT-UHFFFAOYSA-N 292.389 3.739 30 20 CHED C[C@H]1CCCC[C@@H]1CNc1cccc(OCC#N)c1 394785859 JHNZKUDZXZAPSY-UONOGXRCSA-N 258.365 3.827 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)c(C)n1)C1CCCCC1 409535296 MZELJPUCXPCHHP-MRXNPFEDSA-N 299.418 3.741 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 410116702 CHGYBEITJJFRQI-KVSKMBFKSA-N 283.415 3.752 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)c1ccc(CC)cc1 410124785 XQPLTXJOMGMFFD-BBRMVZONSA-N 259.393 3.823 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@H](C)Cc1ccccc1Cl 410828405 NPDROATXZGGUCQ-TZMCWYRMSA-N 292.810 3.669 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc2cccc(C)c2s1 410838484 XZKBQXFQBKSMRG-ZDUSSCGKSA-N 286.400 3.974 30 20 CHED CCC1(C(=O)Nc2ccc(C#N)cc2C(C)=O)CCCC1 411059987 GCJIYULLQSVYTR-UHFFFAOYSA-N 284.359 3.670 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 411200097 LZTZDMOKVVDCAG-OAHLLOKOSA-N 287.403 3.756 30 20 CHED C[C@H](CCC#N)N1CCC[C@@H](Cc2ccccc2)C1 411261938 RXDIGSXBHXRWRX-WBVHZDCISA-N 256.393 3.633 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1ccc(C)c2ccccc12 412488057 KSCDMHAOTDXLGM-GOSISDBHSA-N 280.371 3.704 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](CC)CC(F)(F)F 412661713 WNRVHXPWLXCXSJ-JTQLQIEISA-N 265.319 3.684 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC=CCC1 413289527 HFAMLSSLKSNHMF-DLBZAZTESA-N 284.403 3.582 30 20 CHED COCC1CCC(Nc2cc(Cl)ccc2C#N)CC1 413536096 VAEPSYBFRPFVFD-UHFFFAOYSA-N 278.783 3.829 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)CCCN2 415884484 FECDZJKILWXQEE-ZDUSSCGKSA-N 273.380 3.521 30 20 CHED C[C@H](NCc1nc(C#N)cs1)c1ccc(C2CC2)cc1 418113158 IQVSZIKOJLKYHE-NSHDSACASA-N 283.400 3.743 30 20 CHED Cc1ccnc(N[C@@H]2CCCc3cc(C#N)ccc32)c1C#N 419011371 ARPMZFRUGYPDFL-QGZVFWFLSA-N 288.354 3.623 30 20 CHED C=CCOCCS[C@H](C)c1ccc(F)c(F)c1 419398612 HZYQDVXRGZCICG-SNVBAGLBSA-N 258.333 3.962 30 20 CHED N#Cc1nc(N2CC[C@@H](C3CCCC3)C2)ccc1Cl 420619086 NYCCGRHHWRBULN-GFCCVEGCSA-N 275.783 3.623 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](C3CCCC3)C2)CC1 421646679 PWEJPFRFQOMRRE-OAHLLOKOSA-N 261.409 3.772 30 20 CHED CC(C)N(C(=O)CC(C)(C)C#N)[C@H](C)c1ccsc1 421692375 PEDHHWKZXBOZKT-GFCCVEGCSA-N 278.421 3.986 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccncc1Cl 421839094 WMLFDVMWYNXUBT-LBPRGKRZSA-N 297.789 3.947 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cc(OC)cc(OC)c2)no1 424352904 FDMBXFIJACVGIN-UHFFFAOYSA-N 288.347 3.608 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 424559868 GZIKMUUSLZTVFK-UHFFFAOYSA-N 286.375 3.576 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1C[C@H]1C1CCC1 424972010 UEDNTXGLFJDXDT-LSDHHAIUSA-N 287.428 3.883 30 20 CHED CC(C)CC1(C)CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 425623406 KRBFPSWJSVOHRI-LSDHHAIUSA-N 291.439 3.536 30 20 CHED CC1(C)CCCN(Cc2cc(Cl)cs2)[C@H]1C#N 425958836 HOGNVWSCRDBAEH-LBPRGKRZSA-N 268.813 3.916 30 20 CHED C[C@H]1[C@@H](C)SCCN1CC#Cc1ccc(Cl)cc1 427023245 MRRNJOJLUIJDSW-QWHCGFSZSA-N 279.836 3.517 30 20 CHED C=CCN(C)C(=O)c1cccc2[nH]c(-c3cccs3)nc12 428282270 VOHMUFYNQPFPNJ-UHFFFAOYSA-N 297.383 3.549 30 20 CHED C=CCN(CCC#N)CCCOc1cccc(Cl)c1 428871396 KKTQKYJVUSTTJA-UHFFFAOYSA-N 278.783 3.511 30 20 CHED Cc1cccnc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430611584 OQWRPOIKENFVLO-LLVKDONJSA-N 299.399 3.634 30 20 CHED CCCN(CC#N)Cc1ccc(C(F)(F)F)s1 432744057 CXKPKWOPGZLPOZ-UHFFFAOYSA-N 262.300 3.502 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCCC)CCCC 437933910 OKIDCWHTACLDIC-HOTGVXAUSA-N 296.455 3.579 30 20 CHED N#Cc1ccc(OCc2ncc(Cl)s2)cc1Cl 438888789 DWHNREHDEOTHTB-UHFFFAOYSA-N 285.155 3.901 30 20 CHED COCCN(CCCCC(C)(C)C#N)[C@H]1CCC[C@@H]1C 444692407 MBWMDXDXYMLFFK-HOTGVXAUSA-N 280.456 3.843 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc2c(n1)CCCC2 446905611 UMNJGYPQDBUEGL-KBPBESRZSA-N 258.409 3.651 30 20 CHED Cc1sc(CN[C@@H]2CCC[C@H](C#N)C2)nc1C(C)C 447528377 ISJNTAGIVOOAII-QWHCGFSZSA-N 277.437 3.747 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@]1(C)c1ccccc1 448826369 ZYGKIJWADYXUCA-LPHOPBHVSA-N 290.366 3.783 30 20 CHED C=C(C)CCNC/C(C)=C\c1ccccc1COC 449480149 XKQRVKYDIHVTTQ-PTNGSMBKSA-N 259.393 3.792 30 20 CHED C=CCC[C@H](CO)NCc1ccc(F)c(Cl)c1Cl 449701401 WFMHUMSJNKDGEB-SNVBAGLBSA-N 292.181 3.549 30 20 CHED C=C(CC)CNC1CCC(c2ccc(O)cc2)CC1 449733912 QHFXYPQRZSCNRZ-UHFFFAOYSA-N 259.393 3.974 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)CC2(C#N)CCC2)c1 450301822 UZQRIFXGVPJFRR-OAHLLOKOSA-N 256.393 3.990 30 20 CHED Cc1ccc(C#N)c(NCc2cc(C3CC3)ccc2F)n1 450588965 SPAMAPCVZIPEAG-UHFFFAOYSA-N 281.334 3.890 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(COCC2CC2)c1 454619888 YNTGYEVGOKPVDV-UHFFFAOYSA-N 288.391 3.701 30 20 CHED C=CC(C)(C)CNC(=O)NCc1ccc(C(C)(F)F)cc1 454989803 AIESNJCYWMFBDA-UHFFFAOYSA-N 296.361 3.810 30 20 CHED C/C=C/c1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1 455436380 BMRHNDICPVGZFM-AATRIKPKSA-N 271.364 3.733 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1c(C)cc(C)nc1C 455509662 GUOUHMDIWICFNS-UHFFFAOYSA-N 275.396 3.731 30 20 CHED C=C(C)CCNC(=O)CCOc1ccc2ccccc2c1 456126727 XVIXBKAIOKGISY-UHFFFAOYSA-N 283.371 3.691 30 20 CHED C[C@H]1CCC[C@@]1(C)C(=O)Nc1cccc(CC#N)c1 456759329 VQZRKKBJYHYRNI-BLLLJJGKSA-N 256.349 3.517 30 20 CHED C=C(CC)CNC(=O)[C@H](C)CSCc1ccccc1 456815213 XCEXOIOARXUTQA-CQSZACIVSA-N 277.433 3.638 30 20 CHED CCC1(c2ccccc2)CN(CC(C)(C)CCC#N)C1 459760002 PWVCVLDJSSMOSA-UHFFFAOYSA-N 270.420 3.980 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N(C)[C@@H](C)C1CC1 460954439 VPTHYWBVNPGZBS-AWEZNQCLSA-N 296.418 3.756 30 20 CHED C=C(C)COCCN[C@@H]1C[C@H](c2ccccc2)C1(C)C 464079335 YPSSQNLILCNCLH-IAGOWNOFSA-N 273.420 3.751 30 20 CHED Cc1ccc(SCC#Cc2ccc(F)cc2)nc1 464091796 SYNNLKUIVMMQHA-UHFFFAOYSA-N 257.333 3.673 30 20 CHED C=C[C@H](C)NC(=O)NCC(C)(C)c1ccc(F)cc1Cl 464751790 BTFQKYNWJGDIBY-JTQLQIEISA-N 298.789 3.630 30 20 CHED C=C[C@@H](C)NC(=O)CCCSc1ccc(Cl)cc1 465115927 QHFUJURXURPNJQ-LLVKDONJSA-N 283.824 3.903 30 20 CHED C=C[C@H](C)NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 465148358 VFYWMGYZTGNYCD-VIFPVBQESA-N 296.292 3.501 30 20 CHED C=CC[C@@H](CC)NC(=O)CCOc1cccc(C)c1C 466533259 ZZKGUFNTQGSPTI-OAHLLOKOSA-N 275.392 3.543 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)Nc1cccc(C#N)c1 466540217 JGJITJIOPRTOHI-AWEZNQCLSA-N 271.364 3.649 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Cc1cccc(Cl)c1 467080282 DWJUEHPAAHVPGA-LBPRGKRZSA-N 265.784 3.553 30 20 CHED C=CCOCCCN1CCSC[C@@H]1c1ccc(C)cc1 470763262 CJXRDXKKJFQQSK-QGZVFWFLSA-N 291.460 3.678 30 20 CHED C=CCOCCCN1C[C@H](C)C[C@H]1c1cccc(OC)c1 470763904 DQADEDRXGDHAOI-QAPCUYQASA-N 289.419 3.671 30 20 CHED C=CCCCCNC(=O)Cc1cn(CC)c2ccccc12 471701333 HJYFVCDXDZBIJW-UHFFFAOYSA-N 284.403 3.676 30 20 CHED CC#CCCNC(=O)N(CCCCC)[C@@H](C)CCC 483422929 SEWIXIPAROJEHX-HNNXBMFYSA-N 266.429 3.790 30 20 CHED N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)CC1 485887082 FHLVPPLGXCOXSQ-RCCFBDPRSA-N 280.415 3.948 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 489766136 LHISFYNTYJYXFE-KGLIPLIRSA-N 293.357 3.787 30 20 CHED C=CCCCN(C)[C@@H](COC)c1ccc(Cl)cc1 490039581 CMPKVPGHWDTWDD-HNNXBMFYSA-N 267.800 3.926 30 20 CHED C=C(C)CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 490045677 NSQOMPTZJGWRFD-UHFFFAOYSA-N 270.376 3.771 30 20 CHED C#C[C@@H](NCc1ccc(COC)o1)c1ccc(Cl)cc1 491408691 WKBZETIBAHHILW-MRXNPFEDSA-N 289.762 3.544 30 20 CHED CCCC[C@H](CC)CC(=O)N(C)CC(C)(C)C#N 497325832 JOKMESWGSTWWRA-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED CN(CC(C)(C)C#N)C(=O)Cc1ccc(C(C)(C)C)cc1 497335569 DEXYAOQDPQWLCI-UHFFFAOYSA-N 286.419 3.535 30 20 CHED C[C@H](F)CCSc1nc2c(cc1C#N)CCCC2 505467328 MKFFJFJZHFBJGM-JTQLQIEISA-N 264.369 3.672 30 20 CHED C=C(C)CCc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 508660982 ITHACUOHICDFQD-UHFFFAOYSA-N 293.710 3.807 30 20 CHED N#CC1(CSCCC(=O)Nc2ccc(F)cc2)CCC1 515812766 WBVIXHBQZCOBMK-UHFFFAOYSA-N 292.379 3.581 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1C[C@H]1C 521705505 XHVQPCKOSUBCQM-GHMZBOCLSA-N 283.824 3.962 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)C1 531808713 FXWVDBDTCXEJQQ-VOLNDZDFSA-N 296.414 3.578 30 20 CHED C=C(C)[C@H](CC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC)OCC 533707371 DEOHCCRWZPEXMD-YCPHGPKFSA-N 281.440 3.783 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H](C)[C@H]1CCC)OCC 534424221 DCWGLUDVBKKQRS-XHSDSOJGSA-N 281.440 3.785 30 20 CHED C[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1 539508421 XKWRIXUYTULAQK-MEDUHNTESA-N 298.773 3.996 30 20 CHED Cc1ccsc1CCNc1ccc(C#N)cc1F 540206058 XGMWJWHOTFBIOE-UHFFFAOYSA-N 260.337 3.722 30 20 CHED Cc1ccc([C@H](C)NCCOc2cccc(C#N)c2)cc1 540331556 VXRXASHQWNSGTQ-HNNXBMFYSA-N 280.371 3.596 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(-c2cccs2)o1 543071456 DTVIVBRKIITFBG-UHFFFAOYSA-N 288.372 3.772 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cc(C(CC)CC)no1 543107281 NSLNNVWWFFLMQZ-ZDUSSCGKSA-N 293.411 3.732 30 20 CHED Cc1c(Cl)c[nH]c(=NCc2ccc(Cl)s2)c1C#N 543137850 RELJHGLMGGNVBX-UHFFFAOYSA-N 298.198 3.664 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)CCCC(F)(F)F 546179153 SOVXQRTWRVFLSW-MNOVXSKESA-N 280.334 3.761 30 20 CHED CC(C)(C#N)CCCN1CC[C@@H](c2ccccc2F)C1 550210731 NAOKVNXCSTWJBQ-CQSZACIVSA-N 274.383 3.945 30 20 CHED N#CCC[C@H](C#N)CNCCC12CC3CC(CC(C3)C1)C2 551357315 CNPFVSVGDKOJNM-CZVCLPBNSA-N 285.435 3.626 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 551363842 DCPNXXFRTHIUOV-KGLIPLIRSA-N 259.393 3.897 30 20 CHED C=CCn1c(CCCC)nnc1N1CCCC[C@H]1CC 554926153 KPZFWDZOBFYPCE-CQSZACIVSA-N 276.428 3.576 30 20 CHED CC[C@H](NCCSCc1ccccc1C#N)C1CC1 557264000 QSLAIBFKPAOKSP-INIZCTEOSA-N 274.433 3.570 30 20 CHED CC(C)c1cccc(C(=O)N[C@](C)(C#N)C2CCCCC2)n1 559595305 XEUANVYJFWFCIB-GOSISDBHSA-N 299.418 3.797 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc([N+](=O)[O-])ccc1CC 565275388 IEKAVAUNRLMILF-LBPRGKRZSA-N 291.351 3.633 30 20 CHED N#CC1(CCSCC2CCNCC2)CCCCC1 565477236 ANSSYWWQDHFOJZ-UHFFFAOYSA-N 266.454 3.583 30 20 CHED CC(C)O[C@@H](CN1CCC(CC#N)CC1)c1ccccc1 568346640 YVNXJBIDKFPENQ-SFHVURJKSA-N 286.419 3.778 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 570707919 UCFFVDZILVUFGB-RAIGVLPGSA-N 288.778 3.781 30 20 CHED C=CCCCCNc1ccc(Cl)c(C(=O)N(C)C)c1 572593511 IDGZPZBWKAPNDF-UHFFFAOYSA-N 280.799 3.810 30 20 CHED Cc1cc(N2C[C@@H](c3ccccc3)C[C@@H]2C)cc(C#N)n1 574672072 IZMCHOMMHRTQED-HOCLYGCPSA-N 277.371 3.644 30 20 CHED CC1(C)CCN1Cc1ccc(C#N)cc1C(F)(F)F 576796094 ZHZXEDFXPAVZDE-UHFFFAOYSA-N 268.282 3.561 30 20 CHED N#CC1(CN[C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 577146599 HHOSHHLDAWSCQJ-GOEBONIOSA-N 288.822 3.945 30 20 CHED CCC[C@H](C)N(C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 578167131 CKTRUJIWCXPIBI-LBPRGKRZSA-N 290.382 3.622 30 20 CHED C=CCCOCCNC(=O)c1ccc(C2CCCC2)cc1 579221452 MQXXEJNGPDLGJS-UHFFFAOYSA-N 287.403 3.667 30 20 CHED N#CC1(CN[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 580691334 BCLYUHOVSQPYHH-CABCVRRESA-N 274.795 3.869 30 20 CHED C[C@@H](C#N)NC(=O)c1ccccc1NCCC1=CCCCC1 581498318 VNFWQXYJJSBKBO-AWEZNQCLSA-N 297.402 3.631 30 20 CHED C=CCCc1ccccc1NC(=O)[C@](C)(C#N)CC 582450601 ZYUARLRSROYDMK-INIZCTEOSA-N 256.349 3.684 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H]2CC(C)(C)OC2(C)C)c1 588393599 HFYPIMRYWMOFID-JQFNYASXSA-N 291.391 3.556 30 20 CHED Cc1cncc(C(=O)/C=C\c2cccc(C)c2C)c1 588476519 GSQOVIKXSDBJIT-FPLPWBNLSA-N 251.329 3.903 30 20 CHED C[C@H]1CSc2ccccc2N1C(=O)CCCCCC#N 588940302 UTHKDGATBPYWDG-ZDUSSCGKSA-N 288.416 3.988 30 20 CHED Cc1nc(C)c(CN(Cc2ccc(C#N)cc2)CC(C)C)o1 589252612 GZFZKXQKBCMGKR-UHFFFAOYSA-N 297.402 3.821 30 20 CHED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc(C#N)c1 589340428 DSPZOLXBAFDMAP-DJJJIMSYSA-N 287.366 3.768 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(O)cc(C(F)(F)F)c2)C1 589511542 SWLCAOZKHKIGIW-CQSZACIVSA-N 298.308 3.537 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)[C@@H]1C 590754251 HPSMQCRTHFKRJD-ADAWSYLGSA-N 288.435 3.649 30 20 CHED CC[C@@H](NC(=O)CCCCCC#N)C1CCCC1 590883478 WJZAIRPOUGSWGJ-CQSZACIVSA-N 250.386 3.545 30 20 CHED N#CCC1(CSc2nc3c(cc2C#N)CCCC3)CC1 594883591 OKYGNYHSCXGXRU-UHFFFAOYSA-N 283.400 3.618 30 20 CHED C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCCC#N 595516242 RBDDZEGOFVWDNQ-JTQLQIEISA-N 276.771 3.513 30 20 CHED CCN(CCCc1ccccc1Br)[C@@H](C)C#N 595820152 KIRPNNBRWHOSHD-LBPRGKRZSA-N 295.224 3.616 30 20 CHED Cc1ccc(C#N)nc1N1CC[C@H](c2ccccc2)[C@H]1C 596154462 JSUBJDJBNVLDGZ-PBHICJAKSA-N 277.371 3.644 30 20 CHED N#C[C@H](NC(=O)C1CCC2(CC1)CC2)C1CCCCC1 597341807 HPMNJYVBFMMXDR-HNNXBMFYSA-N 274.408 3.545 30 20 CHED CSc1ccc(Cl)c(NC(=O)CC(C)(C)C#N)c1 597922513 FGKLRSMUJMAMMW-UHFFFAOYSA-N 282.796 3.940 30 20 CHED CC(C)(C#N)C[C@H](O)CN(Cc1ccccc1)C(C)(C)C 598593913 YELCCDINOSGWNR-INIZCTEOSA-N 288.435 3.588 30 20 CHED N#C[C@@H]1CCC[C@H]1N[C@@H]1CCc2cc(F)c(Cl)cc21 600144691 MTPAHUZGUSJCQC-COLVAYQJSA-N 278.758 3.748 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)C1(C#N)CCCC1 600244951 FRPGCTKLSOXNCF-MRXNPFEDSA-N 284.403 3.598 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1cc(F)cc(C#N)c1 601712516 XEAIMFBPWSEVHB-SECBINFHSA-N 288.244 3.614 30 20 CHED N#Cc1c(F)cccc1CN[C@@H]1CCCc2ccccc21 601997881 NMEFIZJBSFFDDW-GOSISDBHSA-N 280.346 3.865 30 20 CHED C[C@H](CCC#N)CN(C)Cc1ccc(F)c(Cl)c1 602636009 HDONWQPJVNUKTA-LLVKDONJSA-N 268.763 3.851 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cccc(-c2nc(C)cs2)c1 610062994 OVMHBQFDAAEHKS-AWEZNQCLSA-N 299.399 3.541 30 20 CHED C[C@H](NC(=O)NCC(C)(C)C#N)c1cccc2ccccc12 611622992 SJQVKMPSCKWXMS-ZDUSSCGKSA-N 295.386 3.750 30 20 CHED N#Cc1ccc(S[C@@H]2CCCOC2)cc1C(F)(F)F 611728438 UMWFKGGGAMFREV-LLVKDONJSA-N 287.306 3.848 30 20 CHED C[C@]1(C#N)CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 612167730 VYTPPDSMEYWQCU-QGZVFWFLSA-N 299.349 3.606 30 20 CHED Cc1[nH]c2ccc(C(=O)N3CCC[C@@](C)(C#N)C3)cc2c1C 612236213 JYDGKJNGTAFXNZ-SFHVURJKSA-N 295.386 3.551 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)[C@H]2CC23CCC3)CC1 613616242 MCXKRWTXEMWPLY-TXKKKEFDSA-N 288.435 3.791 30 20 CHED C=CCC1(NC(=O)C[C@H](C)CC(C)(C)C)CCOCC1 618246681 UUIDQZOCLMPRHG-AWEZNQCLSA-N 281.440 3.690 30 20 CHED CC(C)c1occc1C(=O)N[C@@H](C)c1cccc(C#N)c1 619493267 TVEGAPBGGIMFGK-LBPRGKRZSA-N 282.343 3.766 30 20 CHED C[C@@H](CC1CCC1)NCc1ccc(C#N)c(Cl)c1 619755672 OZOFBIRQORDIAG-NSHDSACASA-N 262.784 3.880 30 20 CHED C=C(C)CN(CC)C(=O)c1c(F)ccc(F)c1Cl 621326648 PNSBRUSREQHXMJ-UHFFFAOYSA-N 273.710 3.656 30 20 CHED C=CCCC[C@@H](C)N[C@H]1CCN(C(C)=O)c2ccccc21 621755876 CUIOZHVFVWXKPZ-PBHICJAKSA-N 286.419 3.819 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCCc2scnc21 623989014 FNRVZAFNPQPPST-LLVKDONJSA-N 250.411 3.712 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1csc(C)c1 640641314 YBHSNKQTMVUJNI-UHFFFAOYSA-N 290.388 3.912 30 20 CHED C=CCC1(NC[C@H]2CCC[C@H](CC)C2)CCOCC1 657633652 UXGUOCNNRPSHNH-HOTGVXAUSA-N 265.441 3.918 30 20 CHED C=CCC1(NCc2cncc(Br)c2)CCCC1 657703243 VPICUOYMGKPNGI-UHFFFAOYSA-N 295.224 3.823 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCc1csc(C)n1 657832703 MEMXMFANQNJPST-UKRRQHHQSA-N 264.438 3.719 30 20 CHED C=CCC[C@H](C)NCc1cc(-c2ccc(OC)cc2)no1 658189068 VSYWXGBEQRZYSL-ZDUSSCGKSA-N 286.375 3.795 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](C2CCCCC2)C1 660681673 UAGFYCMONSOXET-DZGCQCFKSA-N 264.413 3.563 30 20 CHED C=CCCNC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 665947709 WRJUQODCBOLFEC-SWLSCSKDSA-N 288.391 3.653 30 20 CHED C=CCC1(N[C@@H]2CC[C@H](C)[C@H](C)C2)CCOCC1 668550763 FTLNVJSOBGNANE-RRFJBIMHSA-N 251.414 3.526 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H]1c1cccc(F)c1 681163755 NHPIERVFIZKYGD-OAHLLOKOSA-N 276.355 3.638 30 20 CHED C#CCCOC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 727041654 FWTDCVUWOFJJMH-UHFFFAOYSA-N 269.344 3.646 30 20 CHED CC(C)C1CCC(=NNC(=S)Nc2cccnc2)CC1 729632488 ANWWOHBGWZTZIG-UHFFFAOYSA-N 290.436 3.570 30 20 CHED C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)C 734650555 QYAWMLSVPPBJME-SNVBAGLBSA-N 277.343 3.501 30 20 CHED CC(=NNc1ccc(C)nn1)c1cccc(Cl)c1Cl 734979817 UTDDFDKFSLBZED-UHFFFAOYSA-N 295.173 3.928 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1C2 735066652 UOPBOYBJSGYGGJ-CYBMUJFWSA-N 277.367 3.952 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 736397989 QPFVVIOCELQLHQ-GFCCVEGCSA-N 296.798 3.653 30 20 CHED COc1ccc(CCNN=Cc2ccccc2Cl)cc1 737439965 QGQNXSRSZWOOPP-UHFFFAOYSA-N 288.778 3.515 30 20 CHED CCCn1cccc1C=NNc1cccc(C(F)(F)F)n1 739421741 PGTMJYNQDNRCDR-UHFFFAOYSA-N 296.296 3.758 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3cccc(F)c3o2)c1 741919440 KCJPSPREFZXUGQ-UHFFFAOYSA-N 293.297 3.830 30 20 CHED C=C(C)CCOC(=O)c1cccc(Br)c1C 744303526 GCVSWWXKWFSLTL-UHFFFAOYSA-N 283.165 3.881 30 20 CHED C=C(C)CCOC(=O)c1cc(-c2ccccc2Cl)[nH]n1 744304678 XCNNOGLBFRIAQM-UHFFFAOYSA-N 290.750 3.853 30 20 CHED CCOc1cccc([C@H](C)/N=C\c2cccc(O)c2O)c1 745012615 NFJRDYQQEQCGQD-SJWFJVLYSA-N 285.343 3.677 30 20 CHED C=CCCOC(=O)c1c[nH]cc1-c1ccc(F)cc1 745271342 WSZPNBFZULYTSQ-UHFFFAOYSA-N 259.280 3.554 30 20 CHED C=CCCCOC(=O)[C@]1(C)CCc2ccccc2C1 745668267 UHWSRHNTIDVEHW-QGZVFWFLSA-N 258.361 3.691 30 20 CHED CCO[C@H](CC/N=C\c1cccc(O)c1O)C1CCCC1 746817110 WARMCCGGCODSBI-UWCCDQBKSA-N 291.391 3.502 30 20 CHED CC(C)CCCCCC(=O)N(CC#N)C1CCCC1 747878943 MKRGPITXYGAQGJ-UHFFFAOYSA-N 264.413 3.888 30 20 CHED C=CCCCC(=O)OCc1nc2c(F)cccc2n1CC 748227344 QSKXYYGAEBOFIV-UHFFFAOYSA-N 290.338 3.595 30 20 CHED Fc1ccc2c(c1)C(=NNc1c(F)cccc1F)CC2 748788210 PFESSYGXHYEKCB-UHFFFAOYSA-N 276.261 3.866 30 20 CHED CC(C)CCCCCC(=O)N(CCC#N)CC(F)(F)F 748802606 INSHRICQTPBQKH-UHFFFAOYSA-N 292.345 3.897 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccsc1 749104498 LZLBYXYQPIEYEU-SNAWJCMRSA-N 258.342 3.961 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)s1)c1ccccc1 749318878 SEILRSBSTQOOGG-SNVBAGLBSA-N 257.314 3.538 30 20 CHED C#C[C@@H](CC)NC(=O)N(Cc1cccc(C)c1)CC(C)C 753261116 NHQGPXNYYZLSBS-KRWDZBQOSA-N 286.419 3.574 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C1\CC[C@@H](C)C1 753582984 VYTHYOYQQOEPGM-OVGFGYAMSA-N 269.388 3.948 30 20 CHED CC(C)n1ncc(C(=O)O[C@H](C)CC#N)c1-c1ccccc1 753973876 KTTIPZDSXRUGCV-CYBMUJFWSA-N 297.358 3.590 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1ccc(C)s1)OCC 755630235 ABRCTKWRHPSYSN-QWHCGFSZSA-N 281.421 3.605 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CC[C@@H](C)C1 759171447 GGDOKAGPRPSPQL-GDBMZVCRSA-N 287.378 3.614 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(C)s1)C2=O 759664682 LMVOUFJKKIWGHG-FLIBITNWSA-N 270.353 3.888 30 20 CHED C#CCCN(Cc1ccccc1)Cc1ccccc1F 760822373 XQCVJRMGSKWPID-UHFFFAOYSA-N 267.347 3.851 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccc(F)c2F)s1 762441639 AMWTYCAGUDZZJU-GQCTYLIASA-N 275.279 3.794 30 20 CHED CCOc1ccccc1C=NOC/C(Cl)=C/Cl 763167385 AOQHLOHKASEOSH-OCLNWSFISA-N 274.147 3.755 30 20 CHED CS/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 764223109 PMQFDISTNQVSOE-VUHVRTRXSA-N 292.429 3.560 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)/C=C\c1ccc2[nH]ccc2c1 765629763 FBTNBPZDBQKACJ-PKYBCLHXSA-N 282.343 3.663 30 20 CHED C#CCON=C(C)c1ccc(-c2ccc(F)cc2)s1 766058933 LCRJEZXLARELHW-UHFFFAOYSA-N 273.332 3.928 30 20 CHED CON=C(C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 767491290 SQPOUGXLWWGJGG-UHFFFAOYSA-N 276.317 3.694 30 20 CHED CCc1ccc([C@@H](C)C(=O)OCC2(C#N)CCC2)cc1 768105840 VPGKJFPPDOUVFT-CYBMUJFWSA-N 271.360 3.590 30 20 CHED CC[C@H]1CCCC1=NNc1cc(C#N)cc(Cl)n1 768373139 CODTZZBDLOPINZ-JTQLQIEISA-N 262.744 3.585 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CC[C@@H]2c2ccccc2)cc1 769767161 ZOOKXTBOQFRUBS-OAHLLOKOSA-N 281.315 3.940 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CC[C@H]3CCC[C@H]3C2)s1 771015465 MJSKBWLCXNYMQN-GRYCIOLGSA-N 275.373 3.745 30 20 CHED CC(C)c1ccc(C(=O)OCc2cc(F)ccc2C#N)cn1 772405953 JDMOECXXBJJNNI-UHFFFAOYSA-N 298.317 3.573 30 20 CHED C=CCC[C@H](CCC)NCc1nc2cc(F)ccc2n1C 773003870 YDXLQRKRBRRTOP-AWEZNQCLSA-N 289.398 3.937 30 20 CHED C#CCCCCN[C@@H](CC)c1cc(C)ccc1OC 773040710 MAGSHSVYKYOSQD-INIZCTEOSA-N 259.393 3.848 30 20 CHED CC(=O)Nc1ccc(C=NN[C@@H]2CCCCC2(C)C)cc1 773127244 ZIMIJBCAEICLOY-MRXNPFEDSA-N 287.407 3.537 30 20 CHED C=C(CC)Cn1ccc2ccn(Cc3ccccc3)c2c1=O 773177415 KNRBQYXDALUHEZ-UHFFFAOYSA-N 292.382 3.818 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=Nn1cnc2ccccc21 773191439 SAFCIEAVHMVUBE-KBPBESRZSA-N 253.349 3.863 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 773312060 PMHMAHUBUXEJSH-WNRNVDISSA-N 287.447 3.997 30 20 CHED C#CCCCCC(=O)Nc1cnn([C@H](C)CC)c1C1CC1 773575266 XEBFTPXIJAODAH-CYBMUJFWSA-N 287.407 3.864 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCOCC1 774806732 RAXYNMSWAPTKLV-HNNXBMFYSA-N 269.429 3.622 30 20 CHED C#C[C@H](N[C@@H]1CC=C(c2ccc(F)cc2)CC1)[C@H]1CCCO1 775573166 WUEWNXJMERXPKI-CEXWTWQISA-N 299.389 3.532 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(CF)cc1 777594939 KXPGSZKBRHBLPN-UHFFFAOYSA-N 262.372 3.918 30 20 CHED CCCCCCCCNC(=O)N(C)C[C@@H]1CCCC[C@@H]1O 779371128 DYRZFESZYKDJGJ-HOTGVXAUSA-N 298.471 3.539 30 20 CHED C#CCCCCCc1nc(CCCc2ccccc2)no1 779742419 OXMIPSHVALLOPP-UHFFFAOYSA-N 282.387 3.981 30 20 CHED C#CCCCCCC(=O)N[C@H](C)Cc1ccccc1Cl 779844179 FZYVLPQVXINNKG-CQSZACIVSA-N 291.822 3.971 30 20 CHED CC(Cc1ccccc1C)=NNc1ccnc(F)c1 781132693 HFCVFKLAFWBHMK-UHFFFAOYSA-N 257.312 3.560 30 20 CHED CC/C(=C/C(=O)N1CCC(CC#N)CC1)c1ccc(C)cc1 782058302 RRWFIBUAXAXYQT-VKAVYKQESA-N 296.414 3.941 30 20 CHED C=CCCN(CCn1nc(C)cc1C)OCc1ccccc1 782664056 DMQFYOCOUGTOCJ-UHFFFAOYSA-N 299.418 3.510 30 20 CHED Cc1cc2cc(C(=O)OC3(C#N)CCC3)oc2cc1C 783111249 REWDLSLUBPQZTN-UHFFFAOYSA-N 269.300 3.653 30 20 CHED CCc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1N 783961746 IELQUTZBEMIIAJ-GFCCVEGCSA-N 294.354 3.621 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NO[C@H]1CCCCO1 785457416 MDZRDGCWULQXKO-ZDUSSCGKSA-N 287.281 3.891 30 20 CHED C#CCC1(C(=O)OCc2cnoc2C2CC2)CCCCC1 788212005 FBNAWGADCVOEEH-UHFFFAOYSA-N 287.359 3.569 30 20 CHED CC[C@H](C)NN=Cc1ccc(SC(F)F)cc1 790189585 JZBLBGIUUMFQIU-VIFPVBQESA-N 258.337 3.723 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc(C2CC2)nc2ccccc12 791213540 OHKKZOGKUIPKFT-CQSZACIVSA-N 292.382 3.644 30 20 CHED COc1ccccc1OC(=O)C[C@H](CC#N)c1ccccc1 792869225 ZEDLOOQOKURIBV-HNNXBMFYSA-N 295.338 3.688 30 20 CHED C[C@H](NN=Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C 793112751 WNWJWWGJQMLBBL-VIFPVBQESA-N 283.759 3.606 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 793542577 ROOIGCMMRFOGLX-GVDBMIGSSA-N 294.483 3.748 30 20 CHED CCc1ccccc1NN=C1CC[C@@H](CC(=O)OC)[C@@H]1C 794494380 TUQWGWCWTUSYND-JSGCOSHPSA-N 288.391 3.626 30 20 CHED Cc1ccc2c(c1)C(=NNCCC(F)(F)F)CCC2 794546816 CHUOLNPIHVBUIL-UHFFFAOYSA-N 270.298 3.577 30 20 CHED CSCCON=C(C)c1ccccc1C(F)(F)F 794571498 AQJGTXPEVKHLAS-UHFFFAOYSA-N 277.311 3.809 30 20 CHED CCn1cc(C/N=C\c2cc(Cl)cc(Cl)c2O)cn1 794675644 DYYDITVNVRQJGR-APSNUPSMSA-N 298.173 3.535 30 20 CHED Fc1ccc(NN=C[C@H]2CCCSC2)c(F)c1 794856357 IWXADUYGNBOWAX-SECBINFHSA-N 256.321 3.506 30 20 CHED Fc1ccc(/C=C/C=NNc2ccc(Cl)nn2)cc1F 794860185 JKSFGMINXONWIO-AQPVDJSSSA-N 294.692 3.519 30 20 CHED Clc1ccc(-c2ccc(C=NNc3cncnc3)o2)cc1 794979235 SSWOOCNHUHVJPV-UHFFFAOYSA-N 298.733 3.836 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1cc(C)c(F)c(C)c1 796463727 XQTMNZHMXOYIDE-UHFFFAOYSA-N 292.350 3.771 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCC(F)(F)CC1 796552565 SNMQPQOMIIIXPQ-UHFFFAOYSA-N 278.346 3.719 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)CCc1cnc2ccccc2c1 796830910 WIQHVYCNGPUVRK-MRXNPFEDSA-N 296.370 3.649 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1cc(F)ccc1F 796892348 MMTLLTPWEYOTJK-LKFCYVNXSA-N 267.275 3.509 30 20 CHED CO[C@H]1CCCCC1=NNc1ncnc(Cl)c1C(C)C 797404681 SCBILPSOHRXBCC-NSHDSACASA-N 296.802 3.610 30 20 CHED CCCCC[C@@H](C)NC(=O)c1ccc(C)c(C#N)c1 799293009 DPQSKJNTILJDRV-CYBMUJFWSA-N 258.365 3.565 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)/C=C/c2ccccc2C#N)C1 799656070 DKZQDALOVFMCOJ-DEHGMPOZSA-N 269.344 3.693 30 20 CHED C=CCCC(=O)OCc1cccc(-c2ccccn2)c1 800974327 FBRBPPYABBJQBR-UHFFFAOYSA-N 267.328 3.758 30 20 CHED Cc1cccc(N(CCO[C@H](C)C#N)Cc2ccccc2)c1 801911715 AFHFUULAILVAQN-QGZVFWFLSA-N 294.398 3.930 30 20 CHED C#Cc1cc(F)c(NCc2cc(F)ccc2F)c(F)c1 802743805 AQMBJWUQPZOOEQ-UHFFFAOYSA-N 279.236 3.836 30 20 CHED Cc1ccc(-c2cncc(F)c2)cc1NCCO[C@@H](C)C#N 802746335 LJPPHRMNHVYXHT-ZDUSSCGKSA-N 299.349 3.537 30 20 CHED C[C@@H](N[C@H]1CCc2nc(Cl)ccc21)c1ccc(C#N)cc1 806133675 PRVDSGZWJIDOLC-ABAIWWIYSA-N 297.789 3.945 30 20 CHED Cc1cc(/C=C/C(=O)c2ccnc(O)c2)ccc1Cl 806556742 ZABUOFJAILVXFN-HWKANZROSA-N 273.719 3.645 30 20 CHED CC(C)(C)CCC(=NOC[C@@H]1CCOC1)c1cscn1 807984291 LBCAMWHEDUTCNT-GFCCVEGCSA-N 296.436 3.727 30 20 CHED CCc1c(Cl)nc(C)nc1NCC(C)(C)CCC#N 808093138 INGCLMVOACUEDW-UHFFFAOYSA-N 280.803 3.743 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cccc2c1CCC(C)(C)O2 808803342 SPZFPMQQIJLUHB-QGZVFWFLSA-N 287.359 3.635 30 20 CHED C#Cc1ccc(CNCc2ccccc2COC(C)C)cc1 809604084 NPMXQFGCUWZELK-UHFFFAOYSA-N 293.410 3.883 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccccc2Cl)no1 810276253 JJXFPWOCAIFVEF-UHFFFAOYSA-N 294.741 3.962 30 20 CHED C=CCCCCCCNC(=O)Nc1cc(C2CC2)n(C)n1 810278982 OKXJKBRVYOKBAH-UHFFFAOYSA-N 290.411 3.556 30 20 CHED C=CCCCCOC(=O)[C@H]1SCCc2sccc21 811011269 QGUXUAVUGVYEQH-ZDUSSCGKSA-N 282.430 3.978 30 20 CHED C=CCCCCOC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 811012817 YMTQZSRUYWMWDB-NSHDSACASA-N 295.310 3.737 30 20 CHED O=C(/C=C/c1cc(O)cc(C(F)(F)F)c1)c1cncs1 811691556 ODMCHXOTRHBPNT-OWOJBTEDSA-N 299.273 3.764 30 20 CHED C#CCCCC(=O)N(c1ccc(CC)cc1)C(C)C 813260876 UUNCLXSRRODJME-UHFFFAOYSA-N 257.377 3.794 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(C)s1 814109424 RIRMPRQQYLSSHO-NSHDSACASA-N 251.395 3.836 30 20 CHED CC[C@@H](C=NNc1ccc(C(=O)O)cc1)c1ccccc1 814680181 DQSZTCNSTJNTLE-ZDUSSCGKSA-N 282.343 3.976 30 20 CHED Cc1cc(C)nc(NN=C[C@H](C)C2CCCCC2)n1 814681452 MYDXKMYXLWMEBG-NSHDSACASA-N 260.385 3.708 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1c[nH]nc1C 814688654 HLTGKTBIVRGVHV-UHFFFAOYSA-N 282.269 3.573 30 20 CHED CCc1nocc1C=NNc1c(C)cc(C)cc1C 814859873 DTALNGLOZVYEEG-UHFFFAOYSA-N 257.337 3.608 30 20 CHED C[C@H]1C(=NNCCC(C)(C)C)CC[C@@H](C(=O)O)C1(C)C 814901312 IAJOHZNRVQEUJJ-RYUDHWBXSA-N 282.428 3.525 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)CC1CCCCC1 816507897 VZFGLWXOPLVSAY-NSHDSACASA-N 259.340 3.673 30 20 CHED C#C[C@H](CC)NC1CCC(O)(c2ccc(C(C)C)cc2)CC1 816608387 YDSKZGVHVKDNGP-XEVCZEQESA-N 299.458 3.942 30 20 CHED CCCCCCCC(=O)NC/C=C/c1cccnc1 816738635 IVTHMCVYWUVFGY-CSKARUKUSA-N 260.381 3.572 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@](C)(CN)C1 818594365 MNEMJMWJPJWZRD-QGZVFWFLSA-N 282.472 3.715 30 20 CHED CC#CCN(C)C(=O)c1sc2ccccc2c1Cl 819249700 VWOQQSWPDBIJGP-UHFFFAOYSA-N 277.776 3.650 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnc(Br)cc1C 819337013 MJJHRYLMGWHMKL-UHFFFAOYSA-N 297.196 3.693 30 20 CHED Cc1cc(N(C)C)ccc1NC1CCC(C)(C#N)CC1 823495564 QVSSFGAKMQDZCM-UHFFFAOYSA-N 271.408 3.945 30 20 CHED C#CC1CCN(C(=O)NCc2ccc(C3CCC3)cc2)CC1 826623330 CNESTSXYVWLYHR-UHFFFAOYSA-N 296.414 3.509 30 20 CHED C#CCCCCCC(=O)N(C)CCc1ccccc1C 833448357 AYERRGSVSPWLSU-UHFFFAOYSA-N 271.404 3.580 30 20 CHED C[C@H](Nc1cccc(NC(=O)O)c1)c1cccc(C#N)c1 833524643 HQUVMEULTQTWKV-NSHDSACASA-N 281.315 3.821 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccccc1OCC(C)C 834417463 PLXFBDOBOBDJNW-KTKRTIGZSA-N 298.386 3.659 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)n1 835201095 SJWOJIFLYUEWED-MROQNXINSA-N 288.416 3.879 30 20 CHED C=CCC1(C(=O)OCc2csc3nccn23)CCCC1 835449501 KLIDOMZEWNUVLO-UHFFFAOYSA-N 290.388 3.576 30 20 CHED C=CCC1(NC(=O)/C=C\c2cncc(C)c2)CCCCC1 836957524 UUVKVGBSCVRCFG-FPLPWBNLSA-N 284.403 3.798 30 20 CHED C#Cc1cccc(CNC(=O)CCCc2sccc2C)c1 837104978 DJBJDTRNNXTIRJ-UHFFFAOYSA-N 297.423 3.677 30 20 CHED C=CCONC(=O)N(Cc1ccc2ccccc2c1)C1CC1 838703458 FGWJYLMHCDSSQW-UHFFFAOYSA-N 296.370 3.631 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C2(c3ccccc3)CCC2)C1 839060339 ZOZCHIRKHYVDRX-GOEBONIOSA-N 283.371 3.734 30 20 CHED C=C(C)[C@@H](CC(=O)N(c1ccccc1)C1CC1)OCC 839421290 SFWDLJWXFAWMTB-MRXNPFEDSA-N 273.376 3.553 30 20 CHED C=CCN(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)C(C)C 840322738 YULPQZYQJKCRAJ-OAHLLOKOSA-N 287.403 3.754 30 20 CHED CCN(C)c1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 840786546 RVUFGYSMIQXHOO-CQSZACIVSA-N 273.424 3.733 30 20 CHED Cc1cc(F)c(C=NO[C@@H]2CCCCO2)c(Cl)c1 841631990 IEMLFNARISZNFA-CYBMUJFWSA-N 271.719 3.665 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c([N+](=O)[O-])ccc(F)c1C 843847490 AVVTZBQCZGVXAO-JTQLQIEISA-N 294.326 3.517 30 20 CHED CC(C)(C#N)COC(=O)c1coc2ccc(Cl)cc12 845511546 SXLIQSQANZODGS-UHFFFAOYSA-N 277.707 3.793 30 20 CHED C=C(C)CONC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 846536002 PDLOIINBWOXNBY-ZDUSSCGKSA-N 299.370 3.576 30 20 CHED C=C[C@@H](C)ONC(=O)c1cc(C2CC2)nc2ccc(C)cc12 846544501 BEPLPUSJJVFTJQ-GFCCVEGCSA-N 296.370 3.657 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C(C)=C/c1ccc(Cl)cc1 847168451 MULCFDKWZOMZMF-MARXPDLDSA-N 276.767 3.504 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccccc1OCCC(C)C 847207494 STYPPKNRAFUYTH-CQSZACIVSA-N 288.391 3.597 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@H]1CCC[C@H](C#N)C1 851083423 JDUNCXOJUCFJIV-OBJOEFQTSA-N 255.333 3.530 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1csc(COC)n1 851142440 QLRHKOKGQVLOPO-AAEUAGOBSA-N 295.404 3.581 30 20 CHED CCCn1nccc1/C=C1/COc2cc(C)cc(C)c2C1=O 853005777 VLYXHNOBRXDMDS-UVTDQMKNSA-N 296.370 3.569 30 20 CHED Clc1ccc(Cl)c(OCCON=CC2CC2)c1 853734920 LWFGPGUKIUWPLT-UHFFFAOYSA-N 274.147 3.785 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ncc(Cl)cn1 857221313 YPTABJCILKOJGY-SECBINFHSA-N 254.765 3.744 30 20 CHED CC(C)c1nocc1C(=O)O[C@H](C)c1cccc(C#N)c1 860229327 ILVVBDONURJWGO-LLVKDONJSA-N 284.315 3.588 30 20 CHED C=CCN(C(=O)Nc1ccc2occc2c1)C(C)C 861547868 JHRMYAXWBHSXAR-UHFFFAOYSA-N 258.321 3.861 30 20 CHED N#CCC1(CNc2ccc(C(=O)C(F)(F)F)cc2)CC1 871848265 HTQFUJGJHMEKNU-UHFFFAOYSA-N 282.265 3.537 30 20 CHED CN(C(=O)[C@@H]1CC=CCC1)c1ccc(C#N)c(Cl)c1 876165793 CIADPAGCFUYOQU-LLVKDONJSA-N 274.751 3.531 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 879413475 OWPWNNIVDNZHES-LSDHHAIUSA-N 281.440 3.689 30 20 CHED C=CCCCCCn1cc(-c2cccnc2Cl)nn1 881289226 KVWGQTVGFMHKCS-UHFFFAOYSA-N 276.771 3.740 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(-n3cncn3)cc2)s1 884332744 UXFSNYPKILCOCM-YVMONPNESA-N 295.367 3.533 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)c2ccc(C)s2)CC1 888371718 AEKRRHYXXRZLBI-LBPRGKRZSA-N 263.406 3.980 30 20 CHED C#CC[C@@H](NC(=O)C1CCC(=C)CC1)c1ccccc1 889726769 VGTBEFKSIXGSCQ-QGZVFWFLSA-N 267.372 3.614 30 20 CHED C=CC(C)(C)CC(=O)OCc1ccc(NC(=O)OC)cc1 889881594 HMRJSRKMUQEBQM-UHFFFAOYSA-N 291.347 3.510 30 20 CHED CCc1onc(C)c1/C=C1\CCc2c(F)cccc2C1=O 899389275 FMVOSFNONWRRRL-PKNBQFBNSA-N 285.318 3.897 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2cc3n(n2)CCC3)c1 901561534 PMIDRPPKOZWRLB-CMDGGOBGSA-N 296.370 3.514 30 20 CHED CC(=NNc1ncccn1)c1cc(F)c(Cl)cc1Cl 912973997 FTPOTYBRURETPN-UHFFFAOYSA-N 299.136 3.759 30 20 CHED CCCCCCCC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 915631029 XDDMXKROWCKFQD-HZPDHXFCSA-N 282.472 3.584 30 20 CHED CCCCCCCCN1C(=O)N(C)C2(CCCCC2)C1=O 915667281 LRODDWGYIYOWRV-UHFFFAOYSA-N 294.439 3.944 30 20 CHED CN(C)c1ccc(C=NNc2cccc(Cl)c2)cc1 916269471 QTSKDDMDGNPGFW-UHFFFAOYSA-N 273.767 3.852 30 20 CHED CC(C)Oc1ccccc1C=NNCc1ccccc1 916343712 CEDSAEFJXNPVNA-UHFFFAOYSA-N 268.360 3.598 30 20 CHED COc1cc(C#N)ccc1OC(=O)C[C@@H](C)CC(C)(C)C 916877419 FNWMZHLYPPDQNI-GFCCVEGCSA-N 289.375 3.935 30 20 CHED CCOc1ccc(N=Cc2c(O)cccc2OC)cc1F 917558333 LTFUWOFIFCBNGN-UHFFFAOYSA-N 289.306 3.689 30 20 CHED C=CCN(C(=O)CCC(=O)c1cc(C)sc1C)C(C)C 918701522 WJPOMQUQGHNHPH-UHFFFAOYSA-N 293.432 3.751 30 20 CHED Oc1cccc(C=Nc2cccc(N3CCCCC3)c2)c1O 920175540 WYBXWBCOVZMXHU-UHFFFAOYSA-N 296.370 3.839 30 20 CHED COc1ccc(CC[C@@H](C)/N=C\c2ccccc2O)cc1 921260909 IBUYUMKFCRJUET-RMENWYJGSA-N 283.371 3.841 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC[C@H](C#N)C1 928219469 WQOVGQCOAKEHQH-OAGGEKHMSA-N 296.414 3.738 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc2c(cc1Cl)OCO2 929571970 BJXRQLAVILPEJD-VIFPVBQESA-N 281.739 3.610 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2sccc2C#N)C1 931845829 KPACICLSBANRTD-ZYHUDNBSSA-N 277.393 3.662 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC(C)(C)c1cccs1 933036537 VRPRDIKAUYTQDZ-UHFFFAOYSA-N 284.384 3.593 30 20 CHED C=C[C@H](COC)NCc1ccc(Cl)c(C(F)(F)F)c1 1116640039 FPOQTTSCSXPZQE-SNVBAGLBSA-N 293.716 3.649 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc(CN3CCCC3)c2)C1 1116825671 RFFHRSJEDCZJAW-NVXWUHKLSA-N 283.419 3.777 30 20 CHED Cc1ncc([C@@H](C)NC2CC(C#N)(c3ccccc3)C2)s1 1118933166 JEMVUCATKPHHDJ-OLJMKKDRSA-N 297.427 3.726 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2cnc(C)s2)CCCCC1 1119050660 MNQALIZIXQARJS-LBPRGKRZSA-N 290.432 3.603 30 20 CHED C=C(C)CCC(=O)N(Cc1ccco1)Cc1ccccc1O 1120707259 HLQRVVVJOCSZHX-UHFFFAOYSA-N 299.370 3.870 30 20 CHED CC(C)[C@H](Cc1ccccc1)NC(=O)c1cc(C#N)cs1 1133739951 XDSIKUBNTWTYSZ-HNNXBMFYSA-N 298.411 3.617 30 20 CHED CCOc1ccc(Cl)cc1CN1CCC[C@H](CC#N)C1 1139009515 OMCWNZZUKGETMT-CYBMUJFWSA-N 292.810 3.864 30 20 CHED C=C(Br)CNC(C)(C)Cc1ccc(C)cc1 1171298310 SPNINYLDKROBJD-UHFFFAOYSA-N 282.225 3.814 30 20 CHED N#Cc1cccc2c1CCN2Cc1sccc1Cl 1171344451 PCPGYLQEHXWBBV-UHFFFAOYSA-N 274.776 3.836 30 20 CHED CC1(C)CCC[C@@H](CNCc2cccc(C#N)c2)C1 1177217182 BPJBKNOZGIHWNH-MRXNPFEDSA-N 256.393 3.864 30 20 CHED CN(CCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 1190542559 VQYMYVFIFZWYHA-UHFFFAOYSA-N 272.298 3.515 30 20 CHED N#Cc1ccc(C2CCN(CC3CCC3)CC2)cc1 1198211217 QSICCNYFDLWBGK-UHFFFAOYSA-N 254.377 3.538 30 20 CHED Cc1cc(CN2CC(C)(c3ccccc3)C2)ccc1C#N 1206744302 XYSUBUPWHRDDEZ-UHFFFAOYSA-N 276.383 3.640 30 20 CHED CCC1(NC(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1218514431 RCTSFGRYZOAVCR-UHFFFAOYSA-N 291.420 3.981 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)NCC(C)(C)CC#N)c1 1225359557 OEFWEJLETPYZMC-CQSZACIVSA-N 287.407 3.604 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(Cl)cn2)no1 1262115603 HDXMPEJVUOTUFK-UHFFFAOYSA-N 263.728 3.639 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)Nc1cc(C#N)ccc1F 1275425998 PVOQJBUGYMYXMG-CYBMUJFWSA-N 296.345 3.823 30 20 CHED CC(C)[C@@H]1C[C@H]1Nc1cc(Br)c(C#N)cc1F 1307140322 ZRISZEZCURXVTA-JOYOIKCWSA-N 297.171 3.916 30 20 CHED Cc1ccc(NC(=O)Nc2ccc(OCC#N)cc2)c(F)c1 1318572040 BQBQXLURIKONKF-UHFFFAOYSA-N 299.305 3.681 30 20 CHED CC(C)c1ocnc1CSCCC(C)(C)C#N 1320815403 PBLKMIVPHDLAGG-UHFFFAOYSA-N 252.383 3.971 30 20 CHED Cc1c(C(=O)NOC(C)(C)C)sc2ccc(C#N)cc12 1324486616 QPBRWSORFQZHJF-UHFFFAOYSA-N 288.372 3.541 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cc3ccccc3[nH]2)no1 1335208497 YZBMAFRYWHYVMS-LLVKDONJSA-N 283.331 3.872 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCCC1CCOCC1 1337489025 QOGGJHKLSMYOOG-MRXNPFEDSA-N 279.424 3.541 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cc2cc(C)c(C)cc2o1 1342733392 QBKUKXJVSVONKT-UKRRQHHQSA-N 273.376 3.901 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N(CC)C1CCCC1 1343613090 UIJIBCFOMPYLKG-UHFFFAOYSA-N 284.354 3.561 30 20 CHED N#Cc1cc(C(=O)N[C@H](c2cccs2)C2CC2)cs1 1347771591 QNZYPCRGRBFKIW-ZDUSSCGKSA-N 288.397 3.562 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2csc(C#N)c2)C1 1347827715 XABWJOUSKTVRTP-HNNXBMFYSA-N 276.405 3.662 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCc1c[nH]c2c(C)cccc12 1349907523 RUBWIRBQURRTIJ-OAHLLOKOSA-N 297.402 3.560 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc3ccsc23)n1 1460430189 XPMOYICSTISAMX-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(C#N)c1 1470212062 SCIOKEJPQWNFRC-FRFSOERESA-N 299.418 3.745 30 20 CHED CC/C=C(\C)C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1520067898 AFFLFFLITGVXBZ-CYNRKNSPSA-N 287.750 3.749 30 20 CHED N#C[C@@H](C(=O)[C@H](c1ccccc1)C1CC1)c1cccc(F)n1 1524711905 MCLBCDFYWCNUHO-RHSMWYFYSA-N 294.329 3.591 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccc(F)cc1 1526048279 YMJKSMSXSQXVKH-CYBMUJFWSA-N 296.345 3.539 30 20 CHED N#Cc1cc(C(=O)OCc2ccc3occc3c2)cs1 1531972060 UOTLDVXUAICNKP-UHFFFAOYSA-N 283.308 3.723 30 20 CHED Cc1ccc(CC(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1Cl 1535479430 RFVKGXLUPLQAKF-KGLIPLIRSA-N 291.778 3.817 30 20 CHED C=CC[C@H](SC[C@@H](C)c1ccccc1)C(=O)O 1588758168 FCHMJPFECZLFRS-YPMHNXCESA-N 250.363 3.553 30 20 CHED C=CCCCCCN(C)C[C@@H]1CCCC[C@H]1C(=O)O 1588799711 BGIYCJSWPKQXTL-LSDHHAIUSA-N 267.413 3.556 30 20 CHED CC(C)[C@H]1/C(=C/c2ccc(C(=O)O)[nH]2)C(=O)c2ccccc21 1591068290 YGCZFWVDFLRWDQ-IHWMJMDHSA-N 295.338 3.732 30 20 CHED C=CC[C@@H](N[C@H](C)c1cccc(Cl)c1Cl)C(=O)O 1602842654 QGURKGYJSSOEBI-LDYMZIIASA-N 288.174 3.673 30 20 CHED C=CC[C@@H](S[C@@H]1CCCc2ccccc21)C(=O)O 1602849966 SBWWLRKUSGYRGA-ZIAGYGMSSA-N 262.374 3.827 30 20 CHED N#Cc1ccc(CSc2cc(Cl)ccc2C(=O)O)o1 1608205439 DZOUSLONRNYKQL-UHFFFAOYSA-N 293.731 3.795 30 20 CHED CCCC[C@H](SCCCC(C)(C)C#N)C(=O)O 1609967087 KUOCTOFZWQDSJB-NSHDSACASA-N 257.399 3.693 30 20 CHED CCOc1ccc(C#N)cc1NCc1cc(C)ccc1NC 1620962769 RPTLZPCJMSZPDG-UHFFFAOYSA-N 295.386 3.919 30 20 CHED C=C(Cl)CNC(=O)c1ccc(N2CCCCCC2)cc1 1634028434 OWQOAMUYWANTKH-UHFFFAOYSA-N 292.810 3.549 30 20 CHED C[C@@H]1CCC[C@H](Nc2c(C#N)cccc2C#N)[C@@H]1C 1641982204 ALZZYMVIZPOEIH-JMSVASOKSA-N 253.349 3.667 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NCCc1ccc(C#N)cc1 1653373400 RMVUVFYFEDBNSK-PBHICJAKSA-N 270.420 3.905 30 20 CHED CCc1ccc2c(c1)CN(c1ncc(C#N)cc1Cl)CC2 1655961541 KBTNPAVLUXNJLV-UHFFFAOYSA-N 297.789 3.732 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1Cc1ccc(C#N)c(OC)c1 1658205497 LDQNOVOVFJVWBX-RHSMWYFYSA-N 286.419 3.967 30 20 CHED CCC[C@@H](NC(=O)Nc1ccc(F)cc1C#N)C1CCC1 1659661233 BOMBPSDVKLBWMY-CQSZACIVSA-N 289.354 3.788 30 20 CHED C=CC[C@]1(C(=O)O)CCN(C[C@H](CC)CCCC)C1 1776159320 IFRJCYXQNNNBPP-ZBFHGGJFSA-N 267.413 3.556 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc(C)c([N+](=O)[O-])c1 6866706 PMVYMCAWAJRKJW-MDZDMXLPSA-N 297.310 3.808 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC=CCC1 173041912 GIGQSPKRUJGGHQ-CQSZACIVSA-N 283.375 3.675 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C 119345815 UDOHJNWVJXCRDC-HNNXBMFYSA-N 274.408 3.910 30 20 CHED C[C@@H](CC(=O)NC1(C#N)CCCCC1)c1ccccc1F 102639465 WKTJAXUZOAOQTI-ZDUSSCGKSA-N 288.366 3.662 30 20 CHED C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 56817829 NJOKRVURJXWJPW-IJEWVQPXSA-N 299.418 3.745 30 20 CHED N#Cc1ccsc1C(=O)N1CCCCc2ccccc21 52030764 NSOMUNBYIBWJSZ-UHFFFAOYSA-N 282.368 3.603 30 20 CHED C[C@@H](c1ccc(Br)cc1)N1CCC(C#N)CC1 112339245 WIBACVMSELOMQK-NSHDSACASA-N 293.208 3.746 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 105461117 JCBIPBCALQUIIS-ZIAGYGMSSA-N 296.370 3.534 30 20 CHED Cn1c([C@@H](C#N)C(=O)C2CCCCCC2)nc2ccccc21 102115675 FQEXHKQBKIUJHE-AWEZNQCLSA-N 295.386 3.720 30 20 CHED N#Cc1cccnc1N1CCC[C@@H](c2ccccc2)CC1 66818510 IMWRLJYEMOAKPN-MRXNPFEDSA-N 277.371 3.727 30 20 CHED CCOc1ccccc1COc1ccc(C#N)cc1OC 58858832 KEVSEVQDQFCPJS-UHFFFAOYSA-N 283.327 3.545 30 20 CHED C=CC1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 110361826 RYFGBSCZLQXOIC-UHFFFAOYSA-N 279.383 3.807 30 20 CHED Cc1c(C(=O)/C=C/c2ccsc2)cnn1-c1ccccn1 176849297 RSMKCSFUNCMRHC-AATRIKPKSA-N 295.367 3.533 30 20 CHED C=CCCC(=O)Nc1cccc(COCC2CC2)c1 60365143 NNNWOJNETOWZLD-UHFFFAOYSA-N 259.349 3.518 30 20 CHED C=CCCCC(=O)N1CCC(Oc2ccc(C)cc2)CC1 175696607 MEHARMUPVSSOGN-UHFFFAOYSA-N 287.403 3.721 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc[nH]c1 68231633 SOZXDIUGEOMXSZ-UHFFFAOYSA-N 280.780 3.558 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(c2ccc(Cl)c(C#N)n2)C1 302113745 BOOVIQIEEWIULK-NHYWBVRUSA-N 298.777 3.589 30 20 CHED N#Cc1cccnc1NCc1csc(-c2ccccc2)n1 301098698 WWTGEXZZNWXVEC-UHFFFAOYSA-N 292.367 3.689 30 20 CHED N#Cc1c(COc2cc(F)ccc2F)cn2ccccc12 303237091 XZXKMZPGTNGYQX-UHFFFAOYSA-N 284.265 3.668 30 20 CHED CC[C@@H](C#N)Oc1cccc(C/N=C/c2ccccc2O)c1 113771577 OWYVRMFENAMONY-UOEVCUDDSA-N 294.354 3.692 30 20 CHED C[C@H](Nc1ncccc1C#N)c1nc(C(C)(C)C)cs1 301214975 ZICUBEWKXOIJLS-JTQLQIEISA-N 286.404 3.880 30 20 CHED N#Cc1cccc(CNCc2cscc2C(F)(F)F)c1 352831874 DAVPMQKZBGXAEM-UHFFFAOYSA-N 296.317 3.928 30 20 CHED C=C(CC)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 358623128 GVNULZNCHQVZMT-HNNXBMFYSA-N 273.376 3.561 30 20 CHED C=CCCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 66662309 PKTNETDDERIXEA-UHFFFAOYSA-N 281.359 3.654 30 20 CHED CC[C@H](C#N)NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 171004778 PQZDOGWUKVCFNC-CQSZACIVSA-N 298.386 3.826 30 20 CHED CCCCN(C)c1ccc(NC(=O)C2(C#N)CCC2)cc1 120345865 DUTPFLKKCUODMH-UHFFFAOYSA-N 285.391 3.555 30 20 CHED C=C(Br)CN(C)c1cc(C)cc(C)c1 303019351 QQPKOBNWJLORRN-UHFFFAOYSA-N 254.171 3.648 30 20 CHED C#CCCCCC(=O)N(CC1CC1)C1CCCCC1 120085136 FFGZHUNHVPHTFR-UHFFFAOYSA-N 261.409 3.751 30 20 CHED CCc1nc2c(s1)[C@H](N(C)CCCCC#N)CCC2 152650885 LKIIBIQMECMBIF-CYBMUJFWSA-N 277.437 3.709 30 20 CHED C[C@H](NC[C@@H](c1cccs1)N(C)C)c1cccc(C#N)c1 37234631 NIEKJWUCMVKVHT-BBRMVZONSA-N 299.443 3.573 30 20 CHED C=CC[C@@H](C(=O)NC[C@]1(C)CCCS1)c1ccccc1 188543918 IZJSRYNHJNSAGE-WBVHZDCISA-N 289.444 3.748 30 20 CHED C=CCC1(C(=O)N2CCc3c(Cl)cccc3C2)CCC1 187951488 MBWJRUZTTLAFSC-UHFFFAOYSA-N 289.806 3.971 30 20 CHED CN(CC(F)(F)F)C(=O)Nc1ccc(C(C)(C)C#N)cc1 186547218 ZMOLZPGHPDKYHU-UHFFFAOYSA-N 299.296 3.514 30 20 CHED CCC(CC)[C@H]1C[C@@H](NCc2cccc(C#N)c2)CCO1 180373570 PKUJROKFTJOFBF-ZWKOTPCHSA-N 286.419 3.632 30 20 CHED CCCN(CCC(F)(F)F)Cc1ccc(C#N)cc1 77265992 ZTIPJJFJFMRURV-UHFFFAOYSA-N 270.298 3.723 30 20 CHED C=CCCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 122134930 OOTPCDGOVOAUMT-GOSISDBHSA-N 283.346 3.998 30 20 CHED CC[C@H](CC#N)NCc1cc(Cl)cc2cccnc12 184083741 ODPDPPOJHDRNBP-CQSZACIVSA-N 273.767 3.670 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(C2CC2)cc1 416752661 OUUGLVYBANYBOS-CYBMUJFWSA-N 272.392 3.843 30 20 CHED CC[C@H](C#N)N[C@H](Cc1ccc(C)cc1)c1ccccn1 122240103 FSWIAYWXBMNRFK-SJLPKXTDSA-N 279.387 3.566 30 20 CHED C=CCC[C@H](NCCc1cn2cccc(C)c2n1)C1CC1 121500971 MDFXHNOTIXGESS-KRWDZBQOSA-N 283.419 3.520 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1F 125267645 ONPLECMHBBURGI-QMMMGPOBSA-N 275.245 3.539 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N1CCC(C)(C#N)CC1 507823207 GYHNGFNSTAEOJL-INIZCTEOSA-N 290.451 3.991 30 20 CHED C[C@@H](C#N)CNCc1ccc(-c2ccccc2Cl)o1 183813947 OWTPSGNDVAPFHG-NSHDSACASA-N 274.751 3.849 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2coc3ccccc23)n1 73087289 CEEHXKIDJZUNAQ-NSHDSACASA-N 282.324 3.688 30 20 CHED Cn1cc(CNc2ccccc2)c(-c2ccc(C#N)cc2)n1 180076574 HPCGIIFQPJWKQF-UHFFFAOYSA-N 288.354 3.571 30 20 CHED CC1(C)CN(CCC2(C#N)CCCCC2)[C@H]1[C@H]1CCCO1 411752935 OSTQWQCSQMIYEA-CVEARBPZSA-N 290.451 3.740 30 20 CHED O=C(/C=C/c1cccc(OC(F)(F)F)c1)c1cccnc1 76106257 RPKMMHLPQHYHMA-VOTSOKGWSA-N 293.244 3.876 30 20 CHED CC1(C)Cc2ccc(Br)cc2[C@H]1NCCC#N 411756715 KTVMQSPHMHMDSF-CYBMUJFWSA-N 293.208 3.576 30 20 CHED Cc1ccc(C)c(C/C(O)=N/c2nc(-c3ccco3)n[nH]2)c1 76426809 VZMXPIDMTDYMNF-UHFFFAOYSA-N 296.330 3.512 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(F)cc1F 189870755 HYQQZRXMZOEIQH-BONVTDFDSA-N 267.319 3.744 30 20 CHED CCCCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 49866436 JLAZHHIEVDVRFF-HNNXBMFYSA-N 272.392 3.855 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cccc(C#N)c1 341239975 GFIVXFYFVMZVBW-NWDGAFQWSA-N 259.353 3.504 30 20 CHED C=C(C)[C@H](N[C@H]1COC(C)(C)C1)c1ccc(F)c(F)c1 418016489 WXCYMIVRBYCTPJ-DOMZBBRYSA-N 281.346 3.739 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)[C@@H](C)C[C@H](C)C2 411012591 NKKJYCPUJKWDAQ-IUCAKERBSA-N 262.378 3.654 30 20 CHED Cc1ccc(F)c(Br)c1NC(=O)CCCC#N 411015719 NFKPPCSJPVODSX-UHFFFAOYSA-N 299.143 3.529 30 20 CHED Cn1cnnc1-c1cccc(N=C(O)[C@@H]2CC23CCCC3)c1 329994155 LYSJDBIXLXQWHF-AWEZNQCLSA-N 296.374 3.650 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2c([nH]c3ccccc23)C1 89915592 LIBQCLSQOMNSQX-UHFFFAOYSA-N 294.398 3.821 30 20 CHED C[C@H](/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ncon1 329118868 VCJQJCNJFOCUAY-WUHRBBMRSA-N 277.368 3.694 30 20 CHED Cc1cc(C)cc(C(=O)[C@H](C#N)c2nc(C)cs2)c1 41520055 GBIYHNJNZBENME-ZDUSSCGKSA-N 270.357 3.558 30 20 CHED COc1ccccc1CCCNc1cc(C#N)ccc1OC 502653208 LPQSAIHPSQJEPZ-UHFFFAOYSA-N 296.370 3.620 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@H](OC)C(CC)CC 424737852 ORCGLDAFLSATPV-AWEZNQCLSA-N 269.429 3.546 30 20 CHED C=CCC[C@@H](CC)NCc1ccnc(N2CCCC2)c1 131471109 GLYNEFQTMCHVKR-MRXNPFEDSA-N 273.424 3.516 30 20 CHED C[C@H](/N=C(/O)N[C@@H]1CC12CCCCC2)c1cncc(F)c1 329309883 QRHGDLPLMHQODK-SMDDNHRTSA-N 291.370 3.508 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 44812943 QCDCXDMHDNPROH-DTWKUNHWSA-N 285.174 3.720 30 20 CHED CCCCCCCC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 195621192 MYLLUOZBQRXUMJ-HZPDHXFCSA-N 282.472 3.584 30 20 CHED Cc1ncc(/C(O)=N/[C@@H]2CCC[C@H](C)[C@H]2C)c(C2CC2)n1 329271196 JEJNDPCQMHMJPA-FIXISWKDSA-N 287.407 3.792 30 20 CHED Cc1ccc(F)cc1C(=O)N(CCC#N)CC(C)(C)C 264647755 ZFGIJHODQUXDKR-UHFFFAOYSA-N 276.355 3.536 30 20 CHED C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(F)(F)F 427099359 GJHOZIGBOMCGTC-QMMMGPOBSA-N 286.322 3.875 30 20 CHED CC(C)(C#N)CNCc1ccc(OCc2ccccc2)cc1 381814652 FYDMIAQOSLZENO-UHFFFAOYSA-N 294.398 3.905 30 20 CHED Cc1cnc(C(C)(C)/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2)s1 329394036 SRWSCYAZGRFMNL-MWLCHTKSSA-N 294.420 3.648 30 20 CHED CC(C)=CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 48553422 MGHGJXOSIDDFLP-ZDUSSCGKSA-N 282.368 3.953 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)Cc1cccs1 426026347 ZACVKXXJTFAPMK-UONOGXRCSA-N 292.448 3.677 30 20 CHED C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(C)(C)C#N 131635048 PXKKWTKHJUIYAY-OCHBPSSRSA-N 294.354 3.729 30 20 CHED C=C[C@@](C)(CC)C(=O)N(CC)CCc1ccccc1 190274476 BQUYWLFBIJLMPW-KRWDZBQOSA-N 259.393 3.680 30 20 CHED C[C@H](C#N)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 195179295 IBEDAFNITPOFIJ-ZCFIWIBFSA-N 280.196 3.631 30 20 CHED C[C@H](N[C@@H](CCCN)c1ccccc1)c1cccc(C#N)c1 423499422 AWTPFUXXTIUFLF-KXBFYZLASA-N 293.414 3.689 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](C)Sc1ccccc1 424694584 PZPGEOWCNXBJNZ-CYBMUJFWSA-N 277.433 3.886 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc(-c2csc(C)n2)c1 84697606 PPUAOLFXLFMTJF-CYBMUJFWSA-N 286.356 3.578 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 192116097 QSPQOEOSQRVHRR-ZDUSSCGKSA-N 298.411 3.791 30 20 CHED Cc1nc(-c2nc([C@H]3CCCC[C@@H]3C)no2)ccc1C#N 331628229 HOVBIFKBWBXOQA-GWCFXTLKSA-N 282.347 3.605 30 20 CHED CCCCCC(C)(C)CNC[C@@H](O)c1ccc(C#N)cc1 94987494 JCQJUSNRYOGDFT-QGZVFWFLSA-N 288.435 3.788 30 20 CHED Cc1ccc(F)c(NC(=O)c2cccc(C#N)c2C)c1 337778467 ZHYXLWDTHRIHGJ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED COc1cc(CN[C@H](C)c2ccc(C)cc2)ccc1C#N 234949859 QQOMQNJJMRKUBM-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C(=O)OC)c1ccc(F)c(C)c1 428397361 BVIYMUMHFUJRKD-GHJWDPDVSA-N 293.382 3.539 30 20 CHED CCc1c(C)sc(NC(=O)c2cc(C#N)oc2C)c1C#N 335720445 UTZISDLMCNIONG-UHFFFAOYSA-N 299.355 3.516 30 20 CHED CCN(Cc1cccc(-c2ccccn2)c1)C[C@@H](C)C#N 91983596 INWPIVNBZBLMRR-HNNXBMFYSA-N 279.387 3.730 30 20 CHED Cc1cnccc1SCc1ccc(F)cc1C#N 338629972 SRGBAEWVJAPMCW-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CC(C)(C#N)CCN1CC[C@@H](C(F)(F)F)C1(C)C 385533106 KAFQIYZMCHKHBN-SNVBAGLBSA-N 262.319 3.589 30 20 CHED C=CCn1c(CCCC)nnc1N1CCCC2(CCC2)C1 337818027 PSVIDJTYIVVKAB-UHFFFAOYSA-N 288.439 3.577 30 20 CHED CC(C)(C)OC1CCN(c2ccc(Cl)cc2C#N)CC1 268304264 ZJDVSEWIXORWRY-UHFFFAOYSA-N 292.810 3.996 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1c2ccccc2CC[C@@H]1C 331904172 GHHBSJJGKLHFOV-APPDUMDISA-N 294.354 3.513 30 20 CHED CCCCn1ncc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)c1C 331289094 IVZJVIXDFOAJLA-WCQYABFASA-N 278.400 3.506 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 528802657 BZHPZMDTLSXKTN-GOEBONIOSA-N 284.403 3.721 30 20 CHED N#Cc1cc(Nc2ccc(NCC3CCCC3)cc2)ncn1 521344424 NGASAVIYRQYURB-UHFFFAOYSA-N 293.374 3.694 30 20 CHED C[C@@H](CC#N)N(C)C[C@H](C)c1cccc(Br)c1 245801752 XXACBIMKUYBKDB-RYUDHWBXSA-N 295.224 3.787 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(C#N)c1 437654479 WQPLXWHYGBABTH-XJKSGUPXSA-N 285.391 3.991 30 20 CHED CCn1c([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)nc2ccccc21 248704523 AQMIXOJHYDINMX-RRFJBIMHSA-N 296.418 3.789 30 20 CHED C=C(C)CCc1noc(C[C@H](CC#N)c2ccccc2)n1 347245896 OFPSVBDJYYYMQH-HNNXBMFYSA-N 281.359 3.818 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 247966299 BPHUSCIKRJVNDJ-YDHLFZDLSA-N 275.417 3.699 30 20 CHED N#Cc1cc2c(nc1N[C@H]1C[C@H](c3ccccc3)C1)CCC2 436977756 FLJJPIHSSBKBKM-JCNLHEQBSA-N 289.382 3.800 30 20 CHED C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)Oc1ccccc1Cl 248776399 HOZARSDHXBAOAG-MGPQQGTHSA-N 292.810 3.779 30 20 CHED C/C(=C/c1ccc(C(C)C)cc1)c1nc(=O)c(C#N)c(C)[nH]1 435337862 YVUDRRMZYWMPBE-XFXZXTDPSA-N 293.370 3.634 30 20 CHED CC(=O)Nc1ccc(C)cc1NCc1ccc(CC#N)cc1 342441581 RZAUREYCAOCKDN-UHFFFAOYSA-N 293.370 3.632 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)cc(F)c1OC 344042150 APXJABPAMGEFPR-AWEZNQCLSA-N 269.291 3.514 30 20 CHED CC(C)CC[C@@H](C)NC(=O)[C@H](C#N)CCc1ccccc1 433230668 HVHGUABVZNHISV-WBVHZDCISA-N 286.419 3.700 30 20 CHED C=CCC(C)(C)c1noc(-c2c[nH]nc2-c2ccoc2)n1 340777740 QAWVVMOZTADFED-UHFFFAOYSA-N 284.319 3.573 30 20 CHED COc1cccc([C@@H]2CN(CCCCC#N)CC2(C)C)c1 528626742 RERHWNHSDUJOAL-KRWDZBQOSA-N 286.419 3.814 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 437512848 JYJNLDOFYBSHAD-QAETUUGQSA-N 293.451 3.546 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2ccc(OC)cc2)c1C 255829764 AYCXWDKXQCGUML-KHPPLWFESA-N 298.386 3.815 30 20 CHED C=CCCN(C)C(=O)c1cc2cc(F)ccc2s1 342489984 OCOHPLLIDDYWGD-UHFFFAOYSA-N 263.337 3.689 30 20 CHED CCc1nc2cc(N=Cc3cc(OC)ccc3O)ccc2o1 255548348 KXWPLFJHKQWVNC-UHFFFAOYSA-N 296.326 3.855 30 20 CHED CCCN(Cc1ccc(OC)cc1)CC1(CC#N)CC1 602767668 XLKZETZVFIHNQJ-UHFFFAOYSA-N 272.392 3.601 30 20 CHED CCC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1 340908049 GZVMISOVTCFSAN-ZDUSSCGKSA-N 298.367 3.534 30 20 CHED N#Cc1ccc(/C=C\c2ccc(OCC(F)F)cc2)nc1 255660103 XXVSEEQGIPSHHK-KTAJNNJTSA-N 286.281 3.768 30 20 CHED Cc1ccnc(NCc2cc(-c3ccccc3)no2)c1C#N 343536905 TVXFLSOIXQHSNL-UHFFFAOYSA-N 290.326 3.529 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@H]1CNc1cccc(F)c1C#N 609823318 RYBQGTPRARLZFI-BLLLJJGKSA-N 290.382 3.951 30 20 CHED CCc1ccccc1NC(=O)C1(c2cccc(C#N)c2)CC1 435173105 ZPOBDJNNRKTJBQ-UHFFFAOYSA-N 290.366 3.791 30 20 CHED C=CCCC(=O)NCC1(c2ccccc2)CCCCC1 522473265 KVJCKAMCHLMVHU-UHFFFAOYSA-N 271.404 3.971 30 20 CHED C=CCCN(C)C(=O)c1ccc(Oc2cccnc2)cc1 344258404 BHLAQUFXCDPXKH-UHFFFAOYSA-N 282.343 3.522 30 20 CHED CCN(Cc1csc(-c2cccs2)n1)C[C@@H](C)C#N 64248821 PZOJXPJVQREGSY-NSHDSACASA-N 291.445 3.853 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H](c2nc3ccccc3o2)C1 602437216 FOZJVOCDAMVKFR-LSDHHAIUSA-N 297.402 3.947 30 20 CHED COc1cccc(C=Nc2ccc3c(c2)OC(C)(C)O3)c1O 255777775 STVLSLAKRBCVMC-UHFFFAOYSA-N 299.326 3.659 30 20 CHED CC(C)C[C@H](C)NC(=O)C[C@@H](CC#N)c1ccccc1 356521556 UETQLLDJJPJQFS-GOEBONIOSA-N 272.392 3.625 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(F)ccc1C#N 352719191 FHPJDKLALUHPCC-UHFFFAOYSA-N 284.334 3.521 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1 354107297 PAOQUKZGBFMBIO-UHFFFAOYSA-N 279.343 3.551 30 20 CHED CCN(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CCC1 440236890 GDEKJEIJWPPRIK-INIZCTEOSA-N 285.391 3.615 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@H]1C(C)(C)C 539400897 FLVHTEKXMGWGLK-HNNXBMFYSA-N 281.440 3.787 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1F 353524545 SXUUKXPNKXQDMR-CQSZACIVSA-N 287.338 3.542 30 20 CHED C=CC[C@H](C)NC(=O)CSc1ccc(Cl)cc1 265307868 DGWVUZHJTAAFAL-JTQLQIEISA-N 269.797 3.513 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H](C)c1ccco1 350652017 GLGRIXNHLXBQEA-OLZOCXBDSA-N 288.395 3.768 30 20 CHED C[C@H](NC(=O)N1CC[C@H](C(C)(C)C)C1)c1cccc(C#N)c1 612134234 ZEUDKWKEFKBWRX-BBRMVZONSA-N 299.418 3.697 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)CC1(C)C 539477318 ZVCGHBLLHCLFAS-OLZOCXBDSA-N 252.402 3.561 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ncc(-c2ccccc2)o1 619526318 JALBMUOKSCONAO-CYBMUJFWSA-N 281.359 3.686 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2sccc2[C@@H]1C 268118180 AVOSHSKEMPXQOD-LBPRGKRZSA-N 275.417 3.962 30 20 CHED CC(C)n1ncc2cc(N[C@H]3CC[C@H](C#N)C3)ccc21 619673768 MSLDACSRAOSWMG-JSGCOSHPSA-N 268.364 3.721 30 20 CHED N#Cc1ccc(NC(=O)N2[C@H]3C=CC[C@H]2CC3)c(Cl)c1 611050863 SXVLEIAYPKVDGM-RYUDHWBXSA-N 287.750 3.536 30 20 CHED C=CC(C)(C)CNC(=O)N(C)C[C@@H](C)c1ccccc1 455366564 MMBNZWYAYIYTRF-CQSZACIVSA-N 274.408 3.644 30 20 CHED N#Cc1cc(CN[C@@H](CC2CCC2)c2ccccc2)ccn1 611502637 WOSJUDRMIAUDET-IBGZPJMESA-N 291.398 3.974 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2ccccn2)cc1 362267721 KMEUPUWTBIORIB-QGZVFWFLSA-N 279.343 3.627 30 20 CHED COc1ccc2c(c1)N(CC1(C#N)CCC1)CCCC2 450583409 LQZQFOGDGOVWQK-UHFFFAOYSA-N 270.376 3.532 30 20 CHED Cc1ccccc1-c1cnc(CN2CCC[C@@](C)(C#N)C2)o1 612160229 HGCWPEVLNZRYFS-SFHVURJKSA-N 295.386 3.776 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H](C)CCC(C)(C)C 612483629 WPGAPENLAFZMDX-CHWSQXEVSA-N 252.402 3.503 30 20 CHED C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(F)cc1C#N 611541140 BUGLAOKBPDCIBD-MWLCHTKSSA-N 286.272 3.865 30 20 CHED CCC1(CC)CN(C(=O)Nc2cccc(C#N)c2C)C1 455006807 UMRZQIZFKKUHFW-UHFFFAOYSA-N 271.364 3.521 30 20 CHED C=CCOc1ccc(CN2CC3CC2(C(F)(F)F)C3)cc1 459779759 USHDGHHKFFORSK-UHFFFAOYSA-N 297.320 3.778 30 20 CHED C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@H]2CCCC[C@@H]12 543901860 IKHCNGUECZHWTP-JLSDUUJJSA-N 271.379 3.688 30 20 CHED COc1ccc(C(=O)NC2(C#N)CCCCC2)cc1C1CC1 278354619 WGOVOGWXPCZPNN-UHFFFAOYSA-N 298.386 3.529 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)[C@H](C)C(C)C 458806690 CUUPBMDZWKFRKP-CYBMUJFWSA-N 254.418 3.665 30 20 CHED CC#CCN(C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 455265890 FOCASVWQJJCLRV-UHFFFAOYSA-N 289.137 3.620 30 20 CHED CC(C)(CC#N)CNC1CCC(OC2CCCC2)CC1 459732767 PGQDXYZPDRPWKY-UHFFFAOYSA-N 278.440 3.786 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H](C)C3)c2c1 549262613 YOEMADMRLDPJKP-JTQLQIEISA-N 285.778 3.915 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC[C@H]2C(C)C)c1 454660415 AIMNYNXTYPYZKM-INIZCTEOSA-N 288.391 3.904 30 20 CHED CC(C)(C#N)CCN1CCc2cccc(Cl)c2C1 459669178 CMKZRJMWASIGFG-UHFFFAOYSA-N 262.784 3.638 30 20 CHED N#CC1(CNC2(c3ccccc3)CCCC2)CCC1 450670618 FRRMJIKRVZHRQK-UHFFFAOYSA-N 254.377 3.739 30 20 CHED C=CCCOc1ccccc1-c1cncc(NCCOC)c1 629735623 BRWVGLNVSWTUEN-UHFFFAOYSA-N 298.386 3.762 30 20 CHED C=CCN(CC=C)C(=O)CCCCC(=O)c1ccc(C)cc1 545373619 CYNFPOAAIIVNFN-UHFFFAOYSA-N 299.414 3.939 30 20 CHED N#Cc1ccc(CN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)o1 279760520 ZSBDQOZTHXBXFJ-HIFRSBDPSA-N 284.334 3.716 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)NCC(C)(C)C#N 458635192 AXAPTRFUOMLPLZ-IJEWVQPXSA-N 299.418 3.512 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCc4ccc(F)cc43)CC2)c1 272326828 XFAKRYZHSJUVQJ-GOSISDBHSA-N 292.357 3.964 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)NCC(C)(C)CCC#N 458774524 VLGQATPEXSLTHX-BBRMVZONSA-N 279.428 3.584 30 20 CHED C=C(C)CCNC(=O)NCC1(Sc2ccccc2)CC1 455307754 IVQQLNPHOKXXIP-UHFFFAOYSA-N 290.432 3.577 30 20 CHED C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CC(C)(C)C#N)C1 279249806 LDJJJCKNINEEMO-WFASDCNBSA-N 288.366 3.675 30 20 CHED C=CCN(C(=O)Cc1cn(C)c2ccccc12)C(C)(C)C 622943579 IJQGLLOBYJUFOH-UHFFFAOYSA-N 284.403 3.534 30 20 CHED CC[C@@H](NCc1ccc(OC)c(O)c1)c1ccc(C#N)cc1 278786674 QDYSEXGAPGNZTH-MRXNPFEDSA-N 296.370 3.513 30 20 CHED C=CCCN(C)Cc1nc2cc(C(F)(F)F)ccc2o1 276425454 MZDUIVNMUHMZNY-UHFFFAOYSA-N 284.281 3.855 30 20 CHED C=CCCCN1CCC(CCCN(CC)CC)CC1 542011888 DLSUGDTUDIQUKW-UHFFFAOYSA-N 266.473 3.787 30 20 CHED C=CCC[C@H](NCc1ccc(OC)cc1C)C1CC1 540164138 JHROZIMIERCPMR-KRWDZBQOSA-N 259.393 3.838 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccccc1OCC 540485360 JTSCGTIQTJLWLN-AWEZNQCLSA-N 290.407 3.629 30 20 CHED C=CCn1cc(-c2ccc(OC[C@H]3CCCCO3)cc2)cn1 629705540 LPGXWSZPJCEUPF-GOSISDBHSA-N 298.386 3.684 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCCCCCCSC(C)=O 281619748 PFVGNKJSIRIEFY-CYBMUJFWSA-N 285.453 3.545 30 20 CHED C#CCCCc1nc(-c2ccc3nc(C)sc3c2)no1 289175779 VNXYCCQSXHXRHA-UHFFFAOYSA-N 283.356 3.611 30 20 CHED N#Cc1cc(N[C@@H]2C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] 463653558 BSBKIELCXMYION-XJKSGUPXSA-N 293.326 3.510 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@](C)(C#N)C(C)(C)C 464171686 WEJPBWCMOMYQIQ-BLLLJJGKSA-N 264.413 3.647 30 20 CHED CCN(CC)C(=O)c1ccccc1NCCC(C)(C)C#N 288630969 AWWDZTQXOJBQCW-UHFFFAOYSA-N 287.407 3.520 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)N[C@H](C#N)C(C)(C)C 464710699 LJOPLSHJOHYGAU-JKSUJKDBSA-N 286.419 3.556 30 20 CHED CC(C)c1ccc(C[C@@H]2CCN(CCCC#N)C2)cc1 460973334 LXAUHBLDCPJGMY-KRWDZBQOSA-N 270.420 3.978 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(C(CC)CC)c1C 281672830 JXWLZDQWUWMTRK-CYBMUJFWSA-N 277.412 3.637 30 20 CHED N#CCC[C@@H](N[C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 558699107 ZKTWNBGUWOZTRA-HZMVEIRTSA-N 254.377 3.810 30 20 CHED C=CCCO[C@@H](C)c1nc([C@H]2CCC(F)(F)C2)no1 281347233 KHAUJDWXAGQOME-UWVGGRQHSA-N 272.295 3.626 30 20 CHED CC[C@H](NCCCCCN1CCCC1)c1ccc(C#N)cc1 293666315 JCEVIJFXPYSMQS-IBGZPJMESA-N 299.462 3.865 30 20 CHED C=CCCCCNC(=O)N1CC[C@H](c2cccc(F)c2)C1 472836286 UJZKNWVTCIRTDG-HNNXBMFYSA-N 290.382 3.681 30 20 CHED N#Cc1cc(F)cc(OC[C@H]2CCC3(CCCCC3)O2)c1 385738206 KGRIMWCCPWTKAD-OAHLLOKOSA-N 289.350 3.958 30 20 CHED CC(C)[C@@H]1N(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1(C)C 293938649 OGXWNFOKVXBLTQ-INIZCTEOSA-N 298.430 3.994 30 20 CHED C[C@@H](Cc1ccc(O)cc1)N[C@H](CCC#N)c1ccccc1 293660712 PNQWQRLJAUQYDZ-HNAYVOBHSA-N 294.398 3.958 30 20 CHED C=CCCCCCCNC(=O)C1Cc2ccccc2C1 805219110 WRZJVLLHMYIHQJ-UHFFFAOYSA-N 271.404 3.654 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)CCCc1ccccc1)C(C)(C)C 807882767 ZXKPFHIQFJFZCN-NVXWUHKLSA-N 285.431 3.810 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cnc2c(cnn2C(C)C)c1 564852624 XLCNBYSMHZEXSX-UHFFFAOYSA-N 286.379 3.553 30 20 CHED C=CCN(C(=O)c1cccn1C(C)C)c1ccccc1 647741694 CZFFAZSOUMXEMV-UHFFFAOYSA-N 268.360 3.902 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1ccc(F)cc1)C2=O 809158340 ZXFPCQZVWABWJA-FLIBITNWSA-N 286.277 3.796 30 20 CHED COc1ccccc1-c1ccc([C@@H](C)NCCC#N)cc1 299144605 WOJOIPDVSNYPTO-CQSZACIVSA-N 280.371 3.926 30 20 CHED CC(C)O[C@H](Cn1ccc(C#N)c1)c1ccccc1 292132574 SNNNSBVTXOXOHF-MRXNPFEDSA-N 254.333 3.526 30 20 CHED C=C(C)CN(C)C(=O)COc1ccc(-c2ccccc2)cc1 479324419 ZUOJEJRKTYOMET-UHFFFAOYSA-N 295.382 3.767 30 20 CHED CCC[C@H](OC)c1noc(/C=C/c2ccc(C#N)cc2)n1 296515699 QSAMVTHVVBJZDE-HBWSCVEGSA-N 283.331 3.599 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(OCC(=C)C)c1 292936685 NCANWCRGQORUAI-UHFFFAOYSA-N 299.374 3.575 30 20 CHED C#C[C@H](NC(=O)[C@@H](CC)Sc1ccccc1)C(C)(C)C 807884292 MDVUQWVFKZEPAW-CABCVRRESA-N 289.444 3.721 30 20 CHED C=C(C)COCCNC(=O)N(C)C1CCC(CCC)CC1 479693914 YLYVAJDYYUOSHE-UHFFFAOYSA-N 296.455 3.579 30 20 CHED N#CC1(COC(=O)CCSc2cccc(Cl)c2)CC1 808702112 RVAYOBWLVAPOPQ-UHFFFAOYSA-N 295.791 3.669 30 20 CHED Cc1ccc(C[C@@H]2CCCN(CCCCC#N)C2)cc1 568420129 WDCOHGJRMNQMDJ-SFHVURJKSA-N 270.420 3.943 30 20 CHED N#Cc1cc(N2CCC[C@H]2c2ccc(Cl)cc2)ccn1 561141919 GOXZFHPBVXIOPC-INIZCTEOSA-N 283.762 3.948 30 20 CHED Cc1c(C(=O)NC[C@@H]2CC23CC3)sc2ccc(C#N)cc12 561070704 IJKQUVFAMCCOFR-LBPRGKRZSA-N 296.395 3.611 30 20 CHED COc1cc(/C=C2/C(=O)c3ccccc3[C@H]2C)ccc1C#N 809159805 XBUBVMTWBJSMFY-UDPFGDFPSA-N 289.334 3.950 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1CCN(C(=O)C2CCCC2)C1 648476304 QXFXXLFPLNIZCE-WBVHZDCISA-N 292.467 3.502 30 20 CHED N#Cc1cccc(OCCCN(CC2CC2)C2CCC2)c1 483309588 UABHNOFACZHFCA-UHFFFAOYSA-N 284.403 3.592 30 20 CHED C[C@@H]1CCN(c2cc(C#N)ccn2)CC12CCCCC2 561269524 RUUDAXONXHZWAS-CQSZACIVSA-N 269.392 3.750 30 20 CHED Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)cc1C#N 814135977 UDIAOMBYONKSFF-MRXNPFEDSA-N 282.387 3.517 30 20 CHED CCc1nc([C@@H](C)Nc2ncc3c(c2C#N)CCC3)cs1 567718229 GFCZNQXJQSDDDH-SNVBAGLBSA-N 298.415 3.634 30 20 CHED C#Cc1ccccc1Cc1nc(-c2cccc(Cl)c2)no1 810277188 GYZJOJDDPMKBKH-UHFFFAOYSA-N 294.741 3.962 30 20 CHED C#CCCCCN[C@@H](c1ccc(OC)cc1F)C1CC1 817580709 KDXHLNQITWTGHP-QGZVFWFLSA-N 275.367 3.679 30 20 CHED CC(C)OCCON=C1c2cccc(F)c2CC[C@H]1C 812238853 IDVABKPLBCQUQA-GFCCVEGCSA-N 279.355 3.554 30 20 CHED C=CC[C@@H](C(=O)NC1CC2(CCC2)C1)c1ccccc1 652969435 AVZNNSWFCMWPNO-MRXNPFEDSA-N 269.388 3.795 30 20 CHED C[C@H](NN=Cc1nc2c(s1)CCCC2)c1ccccc1 814814941 GLBWXHJSSDNTAA-LBPRGKRZSA-N 285.416 3.707 30 20 CHED CC1(C)CC(=NNc2ccnc(F)c2)c2sccc2O1 814902641 RRZGOUVSUMPDOO-UHFFFAOYSA-N 291.351 3.660 30 20 CHED C=CCCCC(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 578140614 OEUYEZCHHBAEEO-INIZCTEOSA-N 270.376 3.628 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(C)nc1C 814898992 ZMQODOOKIXRLNG-UHFFFAOYSA-N 274.755 3.583 30 20 CHED C=CCCCCCCCNC(=O)N(C)[C@H]1CCSC1 812492679 KCKCBCFPFAOBIO-AWEZNQCLSA-N 284.469 3.660 30 20 CHED C=CCCCCCN1CCC(Oc2ncccc2F)CC1 489018244 RCRNICGRVRRUQG-UHFFFAOYSA-N 292.398 3.810 30 20 CHED CCCC[C@@H](CC)CC(=O)N[C@@](C)(C#N)CCSC 573998617 GVHCQUVGRNSXFB-UKRRQHHQSA-N 284.469 3.744 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNCC(C)C 814892559 XNHVOGJCKFZZNK-DOTOQJQBSA-N 274.408 3.571 30 20 CHED C=C[C@@H]1CCCCN1CCC(=O)c1ccc(C)cc1 489460117 GPEYUNHVLOLVPR-MRXNPFEDSA-N 257.377 3.608 30 20 CHED C=CCC1(NCc2cccc(C)c2C)CCOCC1 657633245 SESDTQKGPFTJLC-UHFFFAOYSA-N 259.393 3.518 30 20 CHED Fc1cccc(NN=Cc2ccc(Br)o2)c1 814815378 VULJPFZOPVQQDS-UHFFFAOYSA-N 283.100 3.627 30 20 CHED N#CC1(CCOc2ccc3c(c2)OCCC3=O)CCCCC1 575901203 KGNHCYQPUUZOOL-UHFFFAOYSA-N 299.370 3.895 30 20 CHED CC1(C)CCC(C=NNC[C@@H]2CCSC2)CC1 811660603 QTPZSTQAYBRFTO-ZDUSSCGKSA-N 254.443 3.531 30 20 CHED Brc1ccsc1C=NOCCC1CC1 814247096 QZCJSQZLZZUJSG-UHFFFAOYSA-N 274.183 3.661 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 816363307 GVSIZEMPSMFTMQ-CQSZACIVSA-N 297.301 3.734 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1cc(Cl)ccc1C)OCC 573589442 GMLNQRPPNMMODM-HNNXBMFYSA-N 295.810 3.983 30 20 CHED C=CCC(C)(C)CNC(=O)CSc1ccccc1OC 489825010 FFVUUFFKHFVGGS-UHFFFAOYSA-N 293.432 3.506 30 20 CHED C=CCCC(=O)OCc1cc(-c2ccc(C)cc2)no1 726650626 SUDBTLPXTIIFRQ-UHFFFAOYSA-N 271.316 3.659 30 20 CHED Cc1ccc(NN=Cc2ccccc2OC2CCCC2)nn1 729937817 GEXNLSNDMXNCTQ-UHFFFAOYSA-N 296.374 3.552 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)CCOc2ccccc21 728441233 HMDMPWMCZXANNZ-ACCUITESSA-N 268.287 3.875 30 20 CHED C=C[C@H](CO)N[C@H](C)c1ccc(-c2cccs2)cc1 658334743 AXWUDMDTAPHBAI-IUODEOHRSA-N 273.401 3.613 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc([C@H](C)C(=O)OC)c1 822647949 PVNBELWTZIICPF-QWHCGFSZSA-N 289.375 3.504 30 20 CHED C[C@]1(CSc2cc(C#N)ccn2)CC1(Cl)Cl 829053042 PXOUMCFAQWDLBR-SNVBAGLBSA-N 273.188 3.629 30 20 CHED C=CCc1cc(OCC)cc(CN(CCC)C2CC2)c1O 728903396 XJSMECDSFGPFBY-UHFFFAOYSA-N 289.419 3.894 30 20 CHED Cc1cc(C=NNCc2cc(F)ccc2F)ccc1F 729141677 CQRLJDXRKXRDFO-UHFFFAOYSA-N 278.277 3.536 30 20 CHED CN(CC(C)(C)C#N)C(=O)CCc1ccc2ccccc2c1 497430398 SEPWADPCSGNJHN-UHFFFAOYSA-N 294.398 3.781 30 20 CHED C[C@@](C#N)(NC(=O)c1ccc(Cl)cc1)C1CCCCC1 575351420 PGDXMJMTKVKBDT-INIZCTEOSA-N 290.794 3.932 30 20 CHED C#C[C@@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 491819410 NVIXWOJYHQJOOE-NOXHYTERSA-N 277.795 3.560 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@@H](O)C1CCCCC1 727685585 STDYOZQBYJBXTN-FUNKKEAFSA-N 297.398 3.906 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H](C)CC)c1ccc(Cl)cc1F 820738170 UAUULDOGJUIAQW-HZMBPMFUSA-N 296.773 3.593 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](CC)c1ccc(Cl)s1 491804385 LPZZPQJVSBVMES-VHSXEESVSA-N 284.812 3.516 30 20 CHED N#CCCCCCC(=O)NC1(c2ccc(F)cc2)CCC1 588334844 FXGLCPAJKDTJGQ-UHFFFAOYSA-N 288.366 3.795 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)c1ccco1 665667104 VNLWFYVSWLHDFH-HOCLYGCPSA-N 283.371 3.687 30 20 CHED CCCCC[C@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 822394248 LOSGPDYBJSKTLQ-BBRMVZONSA-N 262.397 3.545 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)SCCCC)c1ccncc1 734233932 CDYGIGYVRWSOQR-DZGCQCFKSA-N 292.448 3.737 30 20 CHED Cn1cncc1/C=C1/C(=O)c2ccccc2SC1(C)C 901543275 FHRSAKUALYDCBB-JYRVWZFOSA-N 284.384 3.571 30 20 CHED C=CCCNC(=O)N(Cc1ccc(Cl)cc1)C1CC1 665947478 NUKHEYPQUBOZES-UHFFFAOYSA-N 278.783 3.590 30 20 CHED C=C(Cl)CNCc1cc(-c2ccccc2)ccc1O 735925280 AHSDOPWRCSKVEG-UHFFFAOYSA-N 273.763 3.901 30 20 CHED CC[C@H]1CC[C@@H](C(=O)N(O)Cc2cccc3ccccc23)O1 901370588 AMFNYRSSVWOFQI-RDJZCZTQSA-N 299.370 3.515 30 20 CHED C[C@H](C#N)OCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 839184719 NPJYFTVEARFFAS-AEFFLSMTSA-N 298.430 3.922 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(F)cc3ccoc23)C1 905929429 PGNRAZJTYBRSNN-GWCFXTLKSA-N 287.290 3.811 30 20 CHED N#C[C@H](OC(=O)c1cc(Cl)ncc1F)C1CCCCC1 909849944 LKUCDPIVHRQYMU-LBPRGKRZSA-N 296.729 3.503 30 20 CHED COc1ccc(CCNN=C/C=C/c2ccccc2)cc1 737440174 DYORFQDFKWWPMJ-WQLLGHIXSA-N 280.371 3.527 30 20 CHED CC(C)c1ccccc1/C=C1\CCn2ccnc2C1=O 901535016 LEDCTXYUMJFFDC-SDNWHVSQSA-N 266.344 3.677 30 20 CHED CCc1nc(C)c(C(C)=NNc2ccccc2)s1 735224085 LJSBNRNRYAUNMV-UHFFFAOYSA-N 259.378 3.850 30 20 CHED C(=NOCc1ccccc1)c1ccc2c(c1)OCCCCO2 834938863 OAIKZQANRVZZAW-UHFFFAOYSA-N 297.354 3.789 30 20 CHED N#CC1(CCCCOC(=O)C=C2CCSCC2)CCC1 909135293 KBZYKSVMHSEGIP-UHFFFAOYSA-N 293.432 3.847 30 20 CHED CC(=NNc1nccc2sccc12)c1cncs1 734745639 KENMQKKOJBGKRT-UHFFFAOYSA-N 274.374 3.589 30 20 CHED CCCCCCCCC(=O)NCc1cn2ccccc2n1 832806308 ZZAPVYRUFXZNEM-UHFFFAOYSA-N 287.407 3.701 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2cccc(F)c2F)cc1 588386950 VMGBBDIZTKTNSD-TWGQIWQCSA-N 288.249 3.559 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C1=CC[C@@H](C)CC1 836712384 CLBUDISWQKWZHB-GFCCVEGCSA-N 287.334 3.523 30 20 CHED C#CC(C)(C)NC(=O)c1cc2c3ccccc3n(C)c2s1 733976542 GITSAWLNOHRZGU-UHFFFAOYSA-N 296.395 3.535 30 20 CHED CCc1ccc(C=NNc2oc(C(C)C)nc2C#N)s1 731153688 YQIZEFGWMKTYRD-UHFFFAOYSA-N 288.376 3.740 30 20 CHED CC[C@H]1CCCN(c2snc(Cl)c2C#N)CC1 735302230 YLYVHVHYKYBIMQ-VIFPVBQESA-N 269.801 3.685 30 20 CHED CC[C@H](OC(=O)CCCCCC#N)c1ccncc1 839009656 VPUOPKXGOFTGAZ-AWEZNQCLSA-N 260.337 3.550 30 20 CHED Cc1cccc(Cl)c1COC(=O)CC(C)(C)C#N 835486331 VMSKDIBKHBQEKG-UHFFFAOYSA-N 265.740 3.632 30 20 CHED C#CCNC(=O)Nc1ccc(Sc2ccccc2)cc1C 919897971 JPZCILYRZPIRKP-UHFFFAOYSA-N 296.395 3.901 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2cccc(C#N)n2)n1 590285327 MOHKWTFSRLIORL-YPMHNXCESA-N 282.347 3.687 30 20 CHED C1=CC[C@@H](C=NNCc2cccc3cccnc23)CC1 915959282 LDGIYFRMHBOZCO-CQSZACIVSA-N 265.360 3.667 30 20 CHED COc1cccc([C@H]2C[C@H](Nc3cc(C#N)cc(C)n3)C2)c1 590726310 GTFAQGXKTSUTBZ-WKILWMFISA-N 293.370 3.628 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1NC(=O)CC1(C#N)CCCCC1 597296349 LJWFTMXYXBTLTC-AEFFLSMTSA-N 296.414 3.697 30 20 CHED C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1F 595091687 SDABJEGGGHWAEK-ZMZPIMSZSA-N 296.345 3.741 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(C)c(C)c2O)c1 834904172 VXFJWQFJVBFWPM-OAHLLOKOSA-N 279.383 3.841 30 20 CHED CC(CCc1ccc(C)cc1)=NOCc1cccnc1 746587860 SOJIOXXIRGDIBH-UHFFFAOYSA-N 268.360 3.915 30 20 CHED C=CCCSCCNC(=O)Nc1cc(C)ccc1C 596623946 AKSPZUHDMVSBTQ-UHFFFAOYSA-N 278.421 3.734 30 20 CHED CO[C@@]1(C)CC(=NNc2c(F)cccc2F)C1(C)C 746576227 NIFKEUINJQBGOW-AWEZNQCLSA-N 268.307 3.568 30 20 CHED C=CCOc1ccccc1C(=O)OCC/C=C\CC 918508592 ZLJCQNUZNIUTAC-WAYWQWQTSA-N 260.333 3.765 30 20 CHED CC(C)CON=Cc1ccccc1OCc1cccnc1 749625598 FXIGBZLEBFARAV-UHFFFAOYSA-N 284.359 3.667 30 20 CHED N#C[C@H](C(=O)[C@@H]1CCC(F)(F)C1)c1nc(C2CC2)cs1 842945378 QGQURUKXUDLWHN-NXEZZACHSA-N 296.342 3.632 30 20 CHED CCCCCCCS(=O)(=O)Nc1c(C)cc(C)nc1C 840951228 UXQHAEOIHGJJBQ-UHFFFAOYSA-N 298.452 3.719 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccc(C=NOC)cc1 748762594 LQHJAVVJFFBXHN-INIZCTEOSA-N 290.407 3.756 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1ccsc1 749105404 SNAUXOPUGFUWRW-UHFFFAOYSA-N 266.316 3.540 30 20 CHED CC1(C)CCc2cc(CN3CCC[C@@H](CC#N)C3)ccc2O1 597173946 OGRCOPJSXOUKFE-HNNXBMFYSA-N 298.430 3.916 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C/C=C/c1ccco1 747060155 KANZQBFUYGULOB-PLAOTSBASA-N 271.276 3.607 30 20 CHED C[C@@H](c1ccccc1)N(C[C@H](O)CC(C)(C)C#N)C1CC1 598594274 GETRHHNZXUTMLV-WMLDXEAASA-N 286.419 3.513 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)cc2cccnc12 674975051 HHWGIFZSPOALIR-SECBINFHSA-N 275.739 3.584 30 20 CHED Cc1csc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)n1 599044603 QRZBTBPSDHJRTQ-ABAIWWIYSA-N 283.400 3.661 30 20 CHED CC(C)=CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 916074389 QOSHIPRQXQXEHH-UHFFFAOYSA-N 293.326 3.650 30 20 CHED C=C(C)CCOC(=O)CCc1ccc(Cl)s1 744303628 LZHRZAZJJXEVTO-UHFFFAOYSA-N 258.770 3.844 30 20 CHED CCCCCCCC(=O)N1C[C@H](C)O[C@H](C(F)(F)F)C1 744732538 VDAMNWJBPHGUGX-RYUDHWBXSA-N 295.345 3.525 30 20 CHED C=C[C@@H](C)ON=C/C(C)=C/c1ccccc1COC 844625692 OOITWQYRFCKVQT-TTWJUNSGSA-N 259.349 3.813 30 20 CHED Cc1cc(C#N)ccc1N[C@H]1CCO[C@@H](CC(C)C)C1 846751875 OZBLINILLOKEJU-HOTGVXAUSA-N 272.392 3.872 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccc(Cl)nc1 747765332 ZFONRXOJZHBTSD-NSHDSACASA-N 251.761 3.959 30 20 CHED CCC[C@@H](C)C(=O)N(c1ccc(C#N)cc1)C1CCC1 598887262 VCFICYUWVQIOKJ-CYBMUJFWSA-N 270.376 3.880 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1OC)CC2 741847088 GJGWUFBXRISKHB-PTNGSMBKSA-N 294.350 3.916 30 20 CHED Cc1cc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)ccc1O 840717581 RXBCBRPTBZDNMU-FNORWQNLSA-N 296.370 3.684 30 20 CHED C[C@@H](COC(=O)[C@H](C)Cc1ccc(C#N)cc1)CC(F)F 847733031 WIMLOIGFZKYYFK-VXGBXAGGSA-N 295.329 3.571 30 20 CHED N#CCOc1cccc(/C=C2\Cc3ccc(F)cc3C2=O)c1 749001055 FOFVUNLGZLPPTN-RIYZIHGNSA-N 293.297 3.550 30 20 CHED CC1(C)CC(C(=O)N2CCC[C@H](CC#N)C2)CC(C)(C)C1 597900855 FIAZBZAKGXUERF-CQSZACIVSA-N 290.451 3.991 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 595790198 UWVUCOSCNXYMKH-RTBURBONSA-N 298.430 3.648 30 20 CHED CCCCNN=C(C)Cc1nc2ccccc2s1 749157217 COELVQCUXXLWBG-UHFFFAOYSA-N 261.394 3.604 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@@H]1Cc2ccccc21 741890471 LERPLTXPZISKGT-QGZVFWFLSA-N 294.350 3.669 30 20 CHED CC1(C)CCCC1=NNC(=S)Nc1ccccc1 749858984 PUIXVTLWBBFUQI-UHFFFAOYSA-N 261.394 3.539 30 20 CHED CCCCCCCCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 745345909 NGPLOKCQTPJUSU-HZPDHXFCSA-N 297.487 3.519 30 20 CHED N#CCc1ccccc1CC(=O)OC1(C2CCCC2)CC1 848017725 FEUFROFJOYMDOC-UHFFFAOYSA-N 283.371 3.561 30 20 CHED CC(C)(C)c1ncc(/C=C2\Cc3c(F)cccc3C2=O)cn1 840719092 QYYJLCGSTQKEDD-KPKJPENVSA-N 296.345 3.736 30 20 CHED C#C[C@@H](CC)NC(=O)c1cccc(Nc2ccccc2)c1 754357187 FTTAGMUERQXQOB-HNNXBMFYSA-N 278.355 3.572 30 20 CHED CC(CCC1CCCCC1)=NNC1=N[C@H]2CCCC[C@@H]2N1 753937156 CNIFKDCNAGETBJ-HOTGVXAUSA-N 290.455 3.583 30 20 CHED CCC/C(C)=C/C(=O)Oc1ccc(C#N)cc1OCC 920219147 UXNYOHZBOGRYHW-FMIVXFBMSA-N 273.332 3.609 30 20 CHED C#CCCCC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 759340960 GIRSALLBCOLQCP-IRXDYDNUSA-N 269.388 3.633 30 20 CHED C#CCC(C)(C)c1nc(-c2ncccc2SCC)no1 924414449 FVPBSHDESFLEJX-UHFFFAOYSA-N 287.388 3.545 30 20 CHED C(CCCCOc1ccccc1)=NO[C@@H]1CCCCO1 755823985 UUHRGCGSFJWVAK-MRXNPFEDSA-N 277.364 3.765 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 855945837 FOJXOQXXUZJJSF-GOEBONIOSA-N 289.806 3.896 30 20 CHED CC(CC(C)(C)C#N)=NNCc1cccc2cccnc12 853288658 DUJXMDSJWGUTIF-UHFFFAOYSA-N 280.375 3.640 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cnn([C@H](C)C2CC2)c1 926222146 SWSPVZUJAGZFAX-NWDGAFQWSA-N 260.385 3.594 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1nccn1C 755632847 JWIJVTUFHZPIEI-UHFFFAOYSA-N 283.162 3.563 30 20 CHED CC(=NNc1cccc(F)c1)c1ccccc1[N+](=O)[O-] 920384088 OGCKRPNNYLEPMU-UHFFFAOYSA-N 273.267 3.570 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(COC)cs1 857045432 LGWUSDMJIXWUEU-UHFFFAOYSA-N 268.378 3.540 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1nc(C)cc(C)n1 920359754 QYSCIWVVBIBMSY-UHFFFAOYSA-N 282.391 3.822 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1nc(C)oc1C 851142157 GJLJWMMSNVYPKY-QWHCGFSZSA-N 263.337 3.583 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc2cc(O)ccc2c1 753716309 DDWUPSJTVXMLAG-VURMDHGXSA-N 292.338 3.658 30 20 CHED C=CCN(C(=O)Nc1cnc(-c2ccccc2)nc1)C(C)C 920939759 XXRWRGNJDACSJP-UHFFFAOYSA-N 296.374 3.572 30 20 CHED C#CCCCCNC(=O)CCC(=O)c1ccc(CCC)cc1 758636634 NCUNCPJPUQJWAP-UHFFFAOYSA-N 299.414 3.522 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1cccc(F)c1 851209890 QFOFECBTLAGSAM-NWDGAFQWSA-N 277.339 3.801 30 20 CHED C#CCN(CCCCC(F)(F)F)Cc1ccc(F)cc1 751965951 QVKUDMYKFIPNBO-UHFFFAOYSA-N 287.300 3.994 30 20 CHED CCCn1nccc1/C=C1/Cc2cc(Cl)ccc2C1=O 853006299 RJJJSAFPWRBWJN-BENRWUELSA-N 286.762 3.769 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCCc1ccsc1 851204935 BAGKNZOPFHBMJE-GFCCVEGCSA-N 279.405 3.942 30 20 CHED CC1(C)CCCN(Cc2ccc(CF)cc2)[C@@H]1C#N 769894822 ZFBVYVIUPAKDQS-OAHLLOKOSA-N 260.356 3.670 30 20 CHED C#CCCCNC1(c2ccc(Cl)c(Cl)c2)CC1 766912769 JPNZEVVPAROYAY-UHFFFAOYSA-N 268.187 3.986 30 20 CHED CCC(C#N)(CC)C(=O)OCC1CCC(F)(F)CC1 860200054 NBICNZGHCOQEBX-UHFFFAOYSA-N 273.323 3.685 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)Cc1coc2cc(F)ccc12 765630692 VKMRDOCAMSGFIG-CQSZACIVSA-N 289.306 3.596 30 20 CHED C=CCN(C(=O)c1ccc(OC)c(C2CC2)c1)C(C)C 766391715 CKLRCXNVSAIANC-UHFFFAOYSA-N 273.376 3.609 30 20 CHED CCc1nocc1CN(C)CCCCC1(C#N)CCC1 930581163 RFAPWHUYKJJPPS-UHFFFAOYSA-N 275.396 3.533 30 20 CHED CCCCCCC[C@H](C)CN[C@@H](C)[C@@H]1CCOC1 765255604 QPKSRSPSYSTXSA-HRCADAONSA-N 255.446 3.998 30 20 CHED Fc1cccc(Cl)c1NN=Cc1cn2ccccc2n1 769826698 ILYUALRLAXBKGO-UHFFFAOYSA-N 288.713 3.573 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)OCC1(C#N)CCC1 768078297 LCZFDEOOEWHUIO-AWEZNQCLSA-N 263.381 3.830 30 20 CHED CC[C@H]1C[C@H](C)CCC1=NNc1ccc(Cl)nn1 769566927 KIHLUFZKWKMDKF-ZJUUUORDSA-N 266.776 3.744 30 20 CHED C[C@H]1CCC(=NNc2nncc3ccccc23)C[C@H]1C 767357676 ITAFIZODYVDOPH-NWDGAFQWSA-N 268.364 3.854 30 20 CHED C[C@@H](/N=C/c1ccccc1O)c1cccc(F)c1F 766672644 QVHPHJPLTQZJNP-SVXRXWARSA-N 261.271 3.851 30 20 CHED CCCCCCCNC(=O)Nc1cnn(C(C)C)c1 860714797 HPKVTUWHCWTMLO-UHFFFAOYSA-N 266.389 3.556 30 20 CHED Cc1cc(C)c2c(c1)C(=NOCC(F)(F)F)CCCO2 764846483 JAQGRBNPYILYDH-UHFFFAOYSA-N 287.281 3.759 30 20 CHED C#CCCCNc1ccc(C(=O)Nc2ccccc2)cc1 766723969 IATLXBPAYVTBIM-UHFFFAOYSA-N 278.355 3.764 30 20 CHED C=C1CCC(C(=O)Nc2c(C)cnn2-c2ccccc2)CC1 1119454008 OLKHMFVWHDHTSH-UHFFFAOYSA-N 295.386 3.866 30 20 CHED C=C(C)CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 763016751 ULNLKZNDADPOMV-UHFFFAOYSA-N 295.310 3.521 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCC[C@H]1CCCCO1 761015967 SUHDWOCAMWVVDL-RQNDZEIBSA-N 281.783 3.814 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ncnc3ccsc23)C1 768367884 SQZYDOSCDIPLPW-WDEREUQCSA-N 274.393 3.915 30 20 CHED Clc1cccc(NN=CC2([C@H]3CCCCO3)CCC2)n1 872377549 WKHATGRDSAJNLU-GFCCVEGCSA-N 293.798 3.872 30 20 CHED C=CCC[C@@H](NCc1ccc(Cl)nn1)c1ccccc1 877116672 SSJFKACIAHUGQX-OAHLLOKOSA-N 287.794 3.927 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1c1cccs1 779744624 YNGHGBBQJNYSHI-CQSZACIVSA-N 275.417 3.995 30 20 CHED CC(C)Cn1ccc2c(C(=O)O[C@H](C#N)C3CC3)cccc21 774123130 NCKNNSQMEXMDRM-QGZVFWFLSA-N 296.370 3.756 30 20 CHED CCCCCCCNC(=O)N1CCCC2(CCOCC2)C1 875764553 KQPHBOXEPORAFX-UHFFFAOYSA-N 296.455 3.559 30 20 CHED C=CC[C@@H](OC(=O)c1cc(C)nc(O)c1)c1ccccc1 778737079 KJWIMYPXUOXTLA-OAHLLOKOSA-N 283.327 3.570 30 20 CHED C=C(C)[C@@H](NC(=S)NC(C)(C)C)c1ccc(F)c(F)c1 774206128 MXDRJYMYJVHKDV-CYBMUJFWSA-N 298.402 3.845 30 20 CHED C=C[C@@](C)(CC)c1nnc([C@@H](C)CN2CCC(C)CC2)o1 1118426466 RNDAAPHHIQIMLQ-YOEHRIQHSA-N 291.439 3.759 30 20 CHED C#C[C@H](C)NC(=O)c1cc(Cl)ccc1SCCCC 775385424 GCSHEZWZIODLTB-NSHDSACASA-N 295.835 3.984 30 20 CHED CCC(=NNCc1ccc(C#N)cc1)c1ccccc1F 778544158 IHLKYYVNZDXKJZ-UHFFFAOYSA-N 281.334 3.601 30 20 CHED C#CCCCCCCNc1ccc2c(c1)CCC(=O)N2C 877160810 XTHCFTQGQIQGIO-UHFFFAOYSA-N 284.403 3.591 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)c1cc(C#N)cs1 779270937 SIPWWHSZVYMCQE-JFGNBEQYSA-N 263.362 3.601 30 20 CHED CC[C@H]1CCCCC1=NN=c1cc[nH]cc1Cl 779774452 GERGQOLKWBBALS-JTQLQIEISA-N 251.761 3.525 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)c2ccc(N(C)C)cc2)c1 773905230 JUSKNEPVMVSUIP-HCZVKUGISA-N 298.386 3.647 30 20 CHED C[C@H](OC(=O)c1cc(C#N)ccc1F)c1ccccc1 1129481486 MIWZEJFONZPBJG-NSHDSACASA-N 269.275 3.615 30 20 CHED C[C@@H](Sc1ccc(F)cc1)C(=O)OC1(CC#N)CCC1 1122999196 JMUOTLOODCEBPV-LLVKDONJSA-N 293.363 3.686 30 20 CHED C=C(Br)CN1CCSc2ccccc21 771468450 LJPBYYPTPCPJTK-UHFFFAOYSA-N 270.195 3.507 30 20 CHED Cc1cc(C=NNc2ccc(Br)cc2)sn1 785452684 HDBKBRYJRQNJOM-UHFFFAOYSA-N 296.193 3.660 30 20 CHED C[C@@H]1CCCC(=NNc2cc(Cl)ccn2)[C@@H]1C 781124546 IWUZMXBVIBHUDR-NXEZZACHSA-N 251.761 3.959 30 20 CHED C=C(C)CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 1121187454 CZGCFJAXFLZWAW-MRXNPFEDSA-N 297.402 3.973 30 20 CHED Cc1cc(C(=O)/C=C\c2cc3cc(C)c(C)cc3o2)n(C)n1 789160619 YIBAEBCUHWBTKN-WAYWQWQTSA-N 294.354 3.988 30 20 CHED C=C[C@H](C(=O)N1CCC[C@@]2(C1)CC2(F)F)c1ccccc1 1123920880 FIBIUJMIHODHCE-HOCLYGCPSA-N 291.341 3.604 30 20 CHED CC1(C(=O)OCC(=O)c2cccc(C#N)c2)CCCCCC1 781301020 VRGDDPCNCKXDOU-UHFFFAOYSA-N 299.370 3.645 30 20 CHED N#CC[C@H](OC(=O)CCC1CCCC1)c1ccco1 1123461303 AXWSVLPQDBEGLA-AWEZNQCLSA-N 261.321 3.748 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)cc1)c1cn[nH]c1 789036197 AOUVLKQVYVVJQF-UHFFFAOYSA-N 270.380 3.933 30 20 CHED Fc1cc(Cl)ccc1C=NNc1ncccc1Cl 783513340 AYZLIJQGWYZPMU-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C[C@H](C(=O)OCCCC(C)(C)C#N)c1ccsc1 783747187 WHISZDBPJCBPMT-NSHDSACASA-N 265.378 3.725 30 20 CHED C#CCOc1ccc([C@@H](C)Nc2cccc3c2OCO3)cc1 782777402 KRBYJCSSKYZOBG-CYBMUJFWSA-N 295.338 3.600 30 20 CHED CCSCCC=NNc1ncnc2sc(C)c(C)c12 781120677 RFTPEDCSLPSEOH-UHFFFAOYSA-N 294.449 3.849 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1ccnc(Cl)c1 782193672 GXCAMTQOBNBOOB-IWQZZHSRSA-N 279.126 3.680 30 20 CHED CC(C)CCN1CCC(Nc2cccc(CC#N)c2)CC1 894768267 UNRHCOBTNWWOOG-UHFFFAOYSA-N 285.435 3.675 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccc(Cl)c(F)c2)s1 782228765 MAKMRPBIUNCKAK-UHFFFAOYSA-N 299.714 3.895 30 20 CHED Cc1ccc(NN=C2CC[C@](C)(c3ccccc3)C2)nn1 780224301 BUCZEEUHOCGAIK-KRWDZBQOSA-N 280.375 3.695 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)cn2)cc(C)c1F 783299215 AIXLQMNSMCGWMN-CYBMUJFWSA-N 283.350 3.560 30 20 CHED CCCCCCCCS(=O)(=O)Cc1cc(C)cc(C)n1 899983857 CTGMDSAWPWMBKE-UHFFFAOYSA-N 297.464 3.974 30 20 CHED N#Cc1ccc(C(=O)OCCSCc2ccccc2)cc1 790630750 JPTOROZGTVKVTO-UHFFFAOYSA-N 297.379 3.648 30 20 CHED C#C[C@H](CCC)NC(=O)C(C)(C)c1ccccc1Cl 791743514 RGALMFWZDLBASV-GFCCVEGCSA-N 277.795 3.536 30 20 CHED CCCCCCCCC(=O)N1CC[C@H](OC)C[C@H]1C 799423989 DTSMZYHHTONHPO-CABCVRRESA-N 269.429 3.763 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccc(CC(C)C)cc1 794696341 UINXSGTURCEFCX-KTKRTIGZSA-N 282.387 3.823 30 20 CHED C=CCNc1ccc(OC(F)F)c(C(F)(F)F)c1 795050072 XLCSMYSGOHBKOF-UHFFFAOYSA-N 267.197 3.905 30 20 CHED COC(=O)c1csc(C(C)=NNc2ccc(F)cc2)c1 794862021 JFGCHFDTLQCJGS-UHFFFAOYSA-N 292.335 3.510 30 20 CHED CC[C@@H](CC#N)NCc1ccc(Cl)nc1C(F)(F)F 797602500 RRXDBNGDOLAMSM-VIFPVBQESA-N 291.704 3.536 30 20 CHED CC(C)(C)C#CCOC(=O)CCc1ccc2[nH]ccc2c1 798889538 HSJGQVBZUJLCGN-UHFFFAOYSA-N 283.371 3.693 30 20 CHED CCc1cccc(C)c1NN=C(C)[C@@H]1CCCOC1 799495021 OGISWBQLFAPOLI-OAHLLOKOSA-N 260.381 3.772 30 20 CHED CCc1ccccc1NN=C1CC[C@@H](CC(=O)OC)[C@H]1C 794494384 TUQWGWCWTUSYND-OCCSQVGLSA-N 288.391 3.626 30 20 CHED Cc1oc(C#N)cc1C(=O)OCCC1CCCCC1 797885580 ANXXEVKANZPVCQ-UHFFFAOYSA-N 261.321 3.587 30 20 CHED N#Cc1ccc(SCC[C@@H](O)c2ccccc2)cc1 795215700 UFFRFKOPONQFRX-MRXNPFEDSA-N 269.369 3.774 30 20 CHED CCCCCCCCOC(=O)c1cnc([C@@H](C)O)s1 798690691 LXNDFLGLAIEVPU-LLVKDONJSA-N 285.409 3.714 30 20 CHED CC(C)CNc1ccc(OC(F)(F)F)c(C#N)c1 799348458 SAQNNRRXDUCCAO-UHFFFAOYSA-N 258.243 3.525 30 20 CHED Cc1nc(-c2cccc(Cl)c2Cl)nc(C#N)c1C 1898208387 SSEHYBVZPLLNEY-UHFFFAOYSA-N 278.142 3.939 30 20 CHED CC[C@@H](Nc1nccc(C)c1C#N)c1cc(F)ccc1OC 1307212947 VKBDLFGVBKOQMM-OAHLLOKOSA-N 299.349 3.973 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)C1CCCCCC1 1538146391 UCMJYTVSZOFRHZ-AWEZNQCLSA-N 276.424 3.936 30 20 CHED C=CCCC(=O)Oc1ccc(C)c2c1C(=O)C[C@H]2C 1318157522 IJHDKTXAACESJV-LLVKDONJSA-N 258.317 3.557 30 20 CHED Cc1sc(NC(=O)CC#Cc2ccccc2)c(C#N)c1C 1319308998 ZUPVFYHCXYLKHV-UHFFFAOYSA-N 294.379 3.617 30 20 CHED CC(C)(C)C#Cc1nnc(COc2ccc(Cl)cc2)o1 1329295361 OYGHUWLBIQCWGM-UHFFFAOYSA-N 290.750 3.700 30 20 CHED N#CCCCNC(=O)c1ccc2c(c1)oc1ccccc12 1323003228 CAZPECONOOPIQR-UHFFFAOYSA-N 278.311 3.620 30 20 CHED CCCc1ccc(CNCc2cccc(OCC#N)c2)cc1 1328195931 WNRKFCOMEYBYPW-UHFFFAOYSA-N 294.398 3.831 30 20 CHED C=C(C)CN(C)c1nnc(-c2ccccc2Cl)n1CC 1328524805 PIIXVSPXUALEFO-UHFFFAOYSA-N 290.798 3.631 30 20 CHED CCC(CC)n1ccc(COc2cccc(C#N)c2)n1 69994607 UNAUSYXVGYICGH-UHFFFAOYSA-N 269.348 3.695 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(C(C)=O)c1 664471846 WZPIXGRIYUSFSP-UHFFFAOYSA-N 274.364 3.756 30 20 CHED C=CCCCNc1cccc(I)c1 70591516 YCQTWUWYSMBJIT-UHFFFAOYSA-N 287.144 3.669 30 20 CHED CCC(C#N)(CC)C(=O)N(C)C1CCC(C)(C)CC1 94858949 FNCXUXVOMVHBNA-UHFFFAOYSA-N 264.413 3.744 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 1339107823 TVUKDZKZFIHPLR-HZPDHXFCSA-N 257.377 3.795 30 20 CHED Cc1ccccc1C(=O)COC(=O)CC1(C#N)CCCCC1 1346828865 MMIJPZMUAZLKBI-UHFFFAOYSA-N 299.370 3.585 30 20 CHED N#Cc1ccc(-c2nnc(-c3c(F)cccc3F)o2)cc1 1345867998 XUAXQBJRMYVIMM-UHFFFAOYSA-N 283.237 3.553 30 20 CHED C=CCCCOC(=O)c1ccc(C(F)(F)F)s1 797086882 IDJIKSXPJSELKY-UHFFFAOYSA-N 264.268 3.890 30 20 CHED CCCCCCCCC(=O)Nc1ccc(C(=O)OC)cn1 1340028028 UCWULYOPLDGTTQ-UHFFFAOYSA-N 292.379 3.557 30 20 CHED C=C(CC)C(=O)NCCc1nc2cc(Cl)ccc2s1 1349267237 RJQIBBMSFIYNQX-UHFFFAOYSA-N 294.807 3.575 30 20 CHED C=C(Cn1c(C)nnc1N1CC[C@H](C)[C@@H]1C)c1ccccc1 1507856175 XHLKOYIVSQJEPZ-ZFWWWQNUSA-N 296.418 3.535 30 20 CHED C[C@@H](OC(=O)CCC1(C)CC1)c1ccc(C#N)cc1 1515138108 YRJUOVFNLYJABD-GFCCVEGCSA-N 257.333 3.743 30 20 CHED CC(C)[C@@H](Cc1ccccc1)Nc1ccc(C#N)cn1 1458587438 ITXOTSPLMVDUDA-MRXNPFEDSA-N 265.360 3.632 30 20 CHED Cc1cccc(C2=CCN(c3cccc(C#N)n3)CC2)c1C 1458694183 HUTIWGMHARANLU-UHFFFAOYSA-N 289.382 3.864 30 20 CHED Cc1nsc(N2CC[C@H](C3CCCCC3)C2)c1C#N 1458474513 SSZOFRZMXGBHGK-ZDUSSCGKSA-N 275.421 3.730 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)c1ccc(C#N)cc1F 1524828347 RTHVYKYNLYFLBP-UHFFFAOYSA-N 296.345 3.668 30 20 CHED COc1ccc(C#N)cc1NCc1ccc2c(c1)C[C@@H](C)O2 1461563344 GZNNUTZSXNEKET-GFCCVEGCSA-N 294.354 3.502 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2csc3ccccc23)n1 1526860736 RMVRAUSBOVILNH-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC(C)Oc1cccc(NC(=O)c2ccc(CC#N)cc2)c1 1460233432 BHNDIGXHJJIQIJ-UHFFFAOYSA-N 294.354 3.792 30 20 CHED Cc1cc(=NC[C@H](Cc2ccccc2)C(C)C)c(C#N)c[nH]1 1472763406 SHTLRZQURSLJDL-KRWDZBQOSA-N 293.414 3.610 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCC[C@@H]2c2ccccc2)n1 1612739223 KHAFZHBDMAETPT-HZPDHXFCSA-N 292.386 3.659 30 20 CHED N#Cc1ccnc(COc2ccc(Cl)c3cccnc23)c1 1472936011 PWCRUECYMJGYGM-UHFFFAOYSA-N 295.729 3.734 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2C)[C@H]1C 1623179708 RYFGVSNKHSWSGF-GXTWGEPZSA-N 271.364 3.519 30 20 CHED COc1ccc(NC(=O)c2cc(C(C)C)oc2C)cc1C#N 1624704614 OWISAPYLBLCGQM-UHFFFAOYSA-N 298.342 3.844 30 20 CHED N#Cc1cccc2c1CCN2Cc1nc2ccccc2s1 1646300406 WVCYDKJXRQKSGB-UHFFFAOYSA-N 291.379 3.731 30 20 CHED Cc1ccc([C@@H](C)CNc2cc(C)c(C#N)cn2)cc1 1650769405 MUTDMMNCTJBTBX-AWEZNQCLSA-N 265.360 3.786 30 20 CHED N#Cc1cc(Cl)ccc1CN1Cc2ccccc2CO1 1654574643 GPZVPAUQYZRPQG-UHFFFAOYSA-N 284.746 3.659 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N(CC)CC 1740809116 BYMWHBMXGGQLRV-UHFFFAOYSA-N 282.819 3.534 30 20 CHED CCC1(NC(=O)c2cccc(C#N)c2C)CCCCC1 1583255563 HEOHFLFMEJQCLJ-UHFFFAOYSA-N 270.376 3.709 30 20 CHED CCc1nc(C#N)cc(N2CC[C@@H](C(C)(C)C)C[C@H]2C)n1 1651906503 HOHLXYFPBUUALU-CHWSQXEVSA-N 286.423 3.562 30 20 CHED C=C(Cl)CNCc1c(-c2ccccc2)nn(C)c1Cl 1657275127 CAHWOUUTWBAFDM-UHFFFAOYSA-N 296.201 3.583 30 20 CHED N#Cc1cc(F)cc(NCc2c[nH]nc2-c2ccccc2)c1 1658433791 MYPYSPBZEYBABH-UHFFFAOYSA-N 292.317 3.700 30 20 CHED C[C@@H]1CC[C@@H](C)[C@H](NCc2cc(C#N)ccc2F)C1 1665663040 UVOYMMLBSUVTQZ-XHBSWPGZSA-N 260.356 3.612 30 20 CHED Cc1cc(C=NNc2ccc(Cl)c(C(=O)O)c2)cs1 1776033842 PCFMPEWQXGGJMV-UHFFFAOYSA-N 294.763 3.854 30 20 CHED CC[C@H]1CCCC[C@@H]1C=NNc1ccccc1C(=O)O 1776030974 GPNJTBYSGYBZSL-QWHCGFSZSA-N 274.364 3.999 30 20 CHED CCOc1ccc(NN=Cc2ccc(C)c(C(=O)O)c2)cc1 1776077766 YITHRRLQGKAKEC-UHFFFAOYSA-N 298.342 3.538 30 20 CHED CC(C)c1ccc(O)c(C=NNc2ccccc2C(=O)O)c1 1776031577 NNQKUTPRSTYQBB-UHFFFAOYSA-N 298.342 3.660 30 20 CHED O=C(O)c1ccc(NN=Cc2ccccc2Cl)cc1F 1776073396 STNVYNDJTOUKJV-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@H]2C=CCCCCC2)C1 1776154619 OGGPSMDZNVSOFS-DOTOQJQBSA-N 277.408 3.618 30 20 CHED C=CCN(Cc1ccc(Cl)cc1)[C@H](CCCC)C(=O)O 1776180567 POVIUACWDYOYTR-OAHLLOKOSA-N 295.810 3.971 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)[nH]1)[C@H](C)CCC 161544442 JLCUYKIDLAVVAB-CYBMUJFWSA-N 275.396 3.707 30 20 CHED C=C(C)CS[C@@H](C)c1cn(-c2ccccc2)nn1 158104365 CSPJMLNHCHPRKM-LBPRGKRZSA-N 259.378 3.638 30 20 CHED CC#CCS[C@@H](C)c1nc(-c2cccs2)no1 166637032 KPPVATGDXJRINJ-VIFPVBQESA-N 264.375 3.616 30 20 CHED C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC(C#N)CC1 152206657 XXVDUHZPLDJMHZ-ZDUSSCGKSA-N 281.359 3.638 30 20 CHED C#CCN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 152607502 YEMSUFVMBVTGSH-OCCSQVGLSA-N 267.294 3.564 30 20 CHED Cc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)c(C)o1 153379393 KXWIDBKMNCDHLP-MRXNPFEDSA-N 282.343 3.671 30 20 CHED C#CCCCCNC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 155084720 TUMJIBAFCBRRGD-UHFFFAOYSA-N 298.430 3.781 30 20 CHED CCN(Cc1ccc(C)cn1)[C@H](C)c1ccc(C#N)cc1 156309784 XODXZWPGSZJILI-OAHLLOKOSA-N 279.387 3.845 30 20 CHED Cc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)c(O)c1 156704394 NFZVDWVLYKZSGC-HWKANZROSA-N 289.312 3.566 30 20 CHED N#Cc1ccccc1OCc1noc(C2CCCCC2)n1 159164288 FBZMPASBCQQOFS-UHFFFAOYSA-N 283.331 3.568 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2cccc(C#N)c2)C1 1129904536 SKZOJDWDNGICKA-AWEZNQCLSA-N 270.376 3.504 30 20 CHED C[C@H](COc1ccccc1)Nc1nc(Cl)c(C#N)s1 804375586 VXNKIQAPTHBYIW-SECBINFHSA-N 293.779 3.548 30 20 CHED C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C#N 3383277 OQYHGQZABAQUQI-LBPRGKRZSA-N 282.368 3.678 30 20 CHED CC(C)C(CNCc1ccc(OCC#N)cc1)C(C)C 229531325 MUAZUZHAXRPTRK-UHFFFAOYSA-N 274.408 3.607 30 20 CHED C=CCCOCCNc1ncc(C(F)(F)F)cc1Cl 229869877 JSBNEPSPZSOTIF-UHFFFAOYSA-N 294.704 3.758 30 20 CHED N#CCC1(CSc2ccc3c(c2)OCCCO3)CC1 127388103 VHOKXHNFILHPCP-UHFFFAOYSA-N 275.373 3.634 30 20 CHED COc1cc(C#N)ccc1NCc1ccc(C)c(C)c1 129836141 GMGLYFORUYWNJZ-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CC(C)(CCC#N)CNc1cccc(-c2ccn[nH]2)c1 158205751 MRYQUIOIBPIRHD-UHFFFAOYSA-N 268.364 3.819 30 20 CHED N#Cc1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)cc1 36971058 JZUDSMKBQVODIJ-UHFFFAOYSA-N 287.706 3.732 30 20 CHED N#Cc1cnc2ccccc2c1NCCc1cccs1 37413189 HWHPVAKUWMJERP-UHFFFAOYSA-N 279.368 3.823 30 20 CHED CCCc1ccc(Nc2nc(C)ccc2C#N)cc1 49808764 ZMUPOXUHAAQNCY-UHFFFAOYSA-N 251.333 3.958 30 20 CHED C[C@@H](CCNc1ccc(C#N)cc1)N(C)Cc1ccccc1 301471276 JPZPPBQXUXRWDA-INIZCTEOSA-N 293.414 3.881 30 20 CHED CCOc1cc(C#N)ccc1OCCSC(C)(C)C 311727413 NPHIWMPCDYIUMD-UHFFFAOYSA-N 279.405 3.867 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1 320141824 BKVHXESSPAHVAG-RISCZKNCSA-N 287.325 3.683 30 20 CHED C[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c(C#N)c2)C1 525534496 FUPYJSOFONQDMK-QWRGUYRKSA-N 276.767 3.976 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)C12CCC2 462887695 BSSJTDPYOYMKKU-CABCVRRESA-N 290.794 3.971 30 20 CHED C=CCCN(C)Cc1cscc1Br 336659717 UCOONVYFHYNRCO-UHFFFAOYSA-N 260.200 3.519 30 20 CHED COc1ccc(C)cc1[C@H](C)NCc1cc(C#N)cs1 93492187 SYHDYSUHOJKYMF-LBPRGKRZSA-N 286.400 3.788 30 20 CHED C=CCCCCN[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 471584536 HKJIZGRHUDLTHJ-XUVXKRRUSA-N 298.474 3.843 30 20 CHED N#Cc1ccc(OCCOC2CCCC2)c(Cl)c1 573875226 KPLSPCQHTSHUDH-UHFFFAOYSA-N 265.740 3.550 30 20 CHED C=CCN(Cc1ccccc1)C[C@H]1CCC(C)(C)O1 480509829 DWKHOFSEVANYDS-MRXNPFEDSA-N 259.393 3.632 30 20 CHED CO[C@H](COc1cc(Cl)ccc1C#N)c1ccccc1 380853896 COOZZOSJSPNMJQ-MRXNPFEDSA-N 287.746 3.978 30 20 CHED N#CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 397254991 CWZDMYXWSOHQJA-UHFFFAOYSA-N 282.309 3.831 30 20 CHED CC[C@@H](Nc1ccc(OCC#N)cc1)[C@@H]1CC1(C)C 397661410 FKNIAMHKIGVAFG-LSDHHAIUSA-N 258.365 3.826 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 791569616 WMUOVQKCLHTUNK-IBGZPJMESA-N 299.389 3.937 30 20 CHED C=CCc1ccccc1OCC(=O)Nc1ccccc1C 1284695 JWJKEEMUMQVXIM-UHFFFAOYSA-N 281.355 3.741 30 20 CHED C=CCSCC(=O)Nc1cccc(C(F)(F)F)c1 6780905 YSRQXGZGMSLSLC-UHFFFAOYSA-N 275.295 3.563 30 20 CHED CCC(CC)[C@@H](CN[C@H](C)c1ccc(C#N)cc1)N(C)C 20202035 OLTVQVAOOFWSPS-RDTXWAMCSA-N 287.451 3.575 30 20 CHED N#CCCCOC(=O)c1cc2c(s1)-c1ccccc1OC2 21838392 SGCMONSFQHQJSJ-UHFFFAOYSA-N 299.351 3.768 30 20 CHED C[C@H](Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C#N)c1 37299304 PDCMCCXVHONZNA-JTQLQIEISA-N 285.278 3.779 30 20 CHED Cc1ccc(N[C@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 37509039 HMDZVGFLOCLMQM-GFCCVEGCSA-N 281.315 3.948 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]2CCCC[C@@H]21 41904056 HIXWUEQATAKWOM-XYPHTWIQSA-N 282.387 3.599 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(C#N)c1 43329332 QXDTYOIRGVNSIH-GFCCVEGCSA-N 297.333 3.922 30 20 CHED CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 45029710 KQXAGVKZVTXINT-QGZVFWFLSA-N 291.354 3.709 30 20 CHED CCN(C[C@@H]1CCCO1)c1ccc(C#N)c(C(F)(F)F)c1 48966448 SKQJMKLZXZKPIW-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1sccc1-c1ccccc1 49425050 KWOVHMFOOACFBO-GFCCVEGCSA-N 284.384 3.647 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C2CC2)nc2ccccc12 57626026 FWQULFHFTKZPGT-UHFFFAOYSA-N 292.382 3.926 30 20 CHED CCS[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)C(C)C 66280660 DKRACKWSTNFUIP-CYBMUJFWSA-N 296.823 3.928 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)o1 66396763 RVTBHWKEAJZBCL-OAHLLOKOSA-N 296.370 3.880 30 20 CHED C=C(C)COc1cc(CN[C@H]2CC=CCC2)ccc1OC 76771255 SHMNWNQEQYISPW-INIZCTEOSA-N 287.403 3.848 30 20 CHED Cc1cc(/C=C/C(=O)c2cccs2)ccc1-n1cncn1 78691912 UGWCMEDYXZMFIX-FNORWQNLSA-N 295.367 3.533 30 20 CHED C=CCCCNc1ccc(Br)c(F)c1 83826493 UKWXEGUTOWWSGX-UHFFFAOYSA-N 258.134 3.966 30 20 CHED N#CCCCOc1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1 93443139 QLEQAYFRTQMOFW-IRXDYDNUSA-N 284.403 3.601 30 20 CHED Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cc1 103267983 UDVQYDQUQNGIQC-AWEZNQCLSA-N 266.344 3.898 30 20 CHED Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)sc1C 104627000 JICCOBYPOHDQOC-UHFFFAOYSA-N 278.421 3.767 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@]1(C)C(=O)O 112787315 ZYDALLQKIUKUPC-INIZCTEOSA-N 283.412 3.593 30 20 CHED O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1ccco1 118992260 WRXJGMMGCNJMSK-VMPITWQZSA-N 292.294 3.758 30 20 CHED CN(CCCCC#N)Cc1ccccc1OC(F)(F)F 120077410 HGTVJIZCOUKUAO-UHFFFAOYSA-N 286.297 3.711 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H](C)c1ccccc1F 121720591 FFOBSDDZALNRSM-ZDUSSCGKSA-N 290.382 3.908 30 20 CHED C=C[C@@H](CC(=O)Nc1ccncc1F)c1ccccc1 123158266 CFLAQSGDTRBDJX-LBPRGKRZSA-N 270.307 3.519 30 20 CHED Cc1ccc(C(C)C)c2c1C(=O)/C(=C/c1cnn(C)c1)CO2 125363347 XAOYAJPGUHZPCS-VGOFMYFVSA-N 296.370 3.511 30 20 CHED CC[C@@](C)(C#N)NC(=O)Cc1ccc(-c2ccccc2)cc1 127498265 HCIMCBIVWATYPO-IBGZPJMESA-N 292.382 3.705 30 20 CHED CCc1c[nH]c(S[C@@H](C#N)Cc2ccc(C)cc2)n1 129396049 RKRVLFIKPQSQOK-CQSZACIVSA-N 271.389 3.508 30 20 CHED COC1CCC(Nc2cc(Cl)ccc2C#N)CC1 129886015 ATDKJXRKBGLVFM-UHFFFAOYSA-N 264.756 3.581 30 20 CHED N#Cc1cc(F)ccc1CSc1cccc(O)c1 130865997 HRMNKFNKGBAGRO-UHFFFAOYSA-N 259.305 3.695 30 20 CHED N#Cc1ccccc1COc1cccc(C(F)(F)F)n1 131295197 WNSXGZRUYPUEHE-UHFFFAOYSA-N 278.233 3.551 30 20 CHED CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CC#N)cc1 131839079 VTWRUFDOVYULQD-OAHLLOKOSA-N 270.376 3.561 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 134386298 IABHVYJKUJPGRQ-BBRMVZONSA-N 285.391 3.991 30 20 CHED CC(C)(CCC#N)CNCc1cccc2cccnc12 135167084 UQURJPXYJQPARG-UHFFFAOYSA-N 267.376 3.654 30 20 CHED C#CCN(CC)C(=S)Nc1ccc(Cl)cc1Cl 138920255 QCDLEEZGDPFWOI-UHFFFAOYSA-N 287.215 3.645 30 20 CHED Cc1cn(-c2ccccc2)nc1NCc1ccc(C#N)cc1 150946922 ZPAUWSRCVDQNTE-UHFFFAOYSA-N 288.354 3.665 30 20 CHED CCCCSCCC(=O)Nc1ccc(F)c(C#N)c1 151511867 ADFKVISRBUYXCQ-UHFFFAOYSA-N 280.368 3.559 30 20 CHED C#CCCCCNC(=O)c1cc(Cl)cc(Cl)c1 156316006 DOWGROWDLMKRJN-UHFFFAOYSA-N 270.159 3.527 30 20 CHED C[C@@H](c1ccco1)N(C)CC#Cc1cccc(Cl)c1 156397329 WZZLRCSTMYTOGA-ZDUSSCGKSA-N 273.763 3.978 30 20 CHED C=CCN(C)C(=O)Nc1ccnc(Oc2ccccc2)c1 157444485 SSNDDXRJZASKHU-UHFFFAOYSA-N 283.331 3.524 30 20 CHED C=CC[C@@H](C)NCc1cc(F)cc(C(F)(F)F)c1 158102315 GJRHKLYQXSQRIA-SECBINFHSA-N 261.262 3.899 30 20 CHED Cc1cccc(C(=O)N[C@H](C#N)C2CCCCC2)c1Cl 160328807 OKYCKIDKIPQGDX-CQSZACIVSA-N 290.794 3.851 30 20 CHED C=C(C)CSCc1nc([C@H](C)SCC)no1 161904603 OYYQTPPUUSZKRJ-VIFPVBQESA-N 258.412 3.693 30 20 CHED CCC[C@H](C(=O)N[C@]1(C#N)CCC[C@H](C)C1)C(C)C 162565476 JWNUSZABTFSFAM-OFQRWUPVSA-N 264.413 3.647 30 20 CHED Cc1cc(C#N)ccc1CN[C@H]1CCCCC1(C)C 165346755 ZTHQETVHKFMMNI-INIZCTEOSA-N 256.393 3.925 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)NCCCCC#N)oc12 171498908 NOWNOGKBZVDXHI-UHFFFAOYSA-N 284.359 3.782 30 20 CHED CC(C)[C@H](C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 171977071 PKNWZHYLZHRZNT-JOYOIKCWSA-N 299.201 3.966 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CCCO[C@@H]1C(C)(C)C 174408368 MXRXOIZYWQZPLM-CABCVRRESA-N 280.456 3.747 30 20 CHED N#CCC1(COC(=O)CCc2ccccc2Cl)CC1 174736633 RPYOPIDZSLAJQS-UHFFFAOYSA-N 277.751 3.510 30 20 CHED C=CCCC(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 177301009 LPZUMLPFRLZLAQ-SNVBAGLBSA-N 287.281 3.729 30 20 CHED C[C@H](CC1CC1)NCCSCc1ccccc1C#N 177822339 SIYRSNHMBWPTMP-CYBMUJFWSA-N 274.433 3.570 30 20 CHED C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1 178179720 DUUNHGDDJXIHHF-SJKOYZFVSA-N 296.345 3.872 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C/C(=O)c1ccc(Cl)nc1 179412905 HICLOMWYCORDJM-GQCTYLIASA-N 289.766 3.652 30 20 CHED C[C@H](NCCCSCC#N)c1ccc(F)cc1Cl 179562875 WKOFLAWGJNQWME-JTQLQIEISA-N 286.803 3.777 30 20 CHED Cc1c(C(=O)O[C@@H]2CC[C@H](C#N)C2)oc2ccccc12 179986448 XKFOJPLTNHQPTM-NWDGAFQWSA-N 269.300 3.590 30 20 CHED C=CCN1CCC(N[C@@H](CC)c2ccccc2F)CC1 180489422 BQEYVUYZCIADCD-KRWDZBQOSA-N 276.399 3.517 30 20 CHED N#Cc1ccc(CSCc2ccc(CO)cc2)c(F)c1 180724525 YYDAPQXLQFVLSO-UHFFFAOYSA-N 287.359 3.623 30 20 CHED COc1ccccc1CNc1ccccc1O[C@@H](C)C#N 181129898 QJMDMEDEXZUGOT-ZDUSSCGKSA-N 282.343 3.598 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccccc1N(C)C 182872769 RUTVMTMBHZWVLW-ZDUSSCGKSA-N 275.396 3.619 30 20 CHED CC#CCCCC(=O)N[C@H]1CCc2c(Cl)cccc21 185261345 XVOHOAXNXRSZIC-HNNXBMFYSA-N 275.779 3.637 30 20 CHED Cc1cc(F)ccc1C[S@@](=O)CCCC(C)(C)C#N 187199096 VEXKZYPLIILKTR-IBGZPJMESA-N 281.396 3.713 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC(CCCN(C)C)CC1 187702876 WVTWLIRFPGEXRD-MRXNPFEDSA-N 299.462 3.673 30 20 CHED Cc1ccsc1-c1nnc(S[C@H](C)CCC#N)o1 188314006 LWNDKIXHTRPUGR-SECBINFHSA-N 279.390 3.891 30 20 CHED C#CCCCCC(=O)NCc1ccc(C(F)(F)F)cc1C 189830266 QKWUGJNDPBFXDE-UHFFFAOYSA-N 297.320 3.824 30 20 CHED Cn1cc(CN[C@@H](c2ccccc2)C2CCCC2)cc1C#N 190900692 KGHPYKRJQKCGCZ-IBGZPJMESA-N 293.414 3.918 30 20 CHED C=CCc1cccc(C(C)C)c1NCc1nnc(C)n1C 190913358 UNYIWQLFFQMEMC-UHFFFAOYSA-N 284.407 3.588 30 20 CHED C=C(Cl)CS[C@H](C)c1ccc(S(C)(=O)=O)cc1 190917136 MTRKWNMWPQEPDW-SNVBAGLBSA-N 290.837 3.637 30 20 CHED C#CCCCC(=O)N1c2ccccc2S[C@H](C)[C@@H]1C 192374846 YIIZUFGHQMXDFV-QWHCGFSZSA-N 273.401 3.706 30 20 CHED CCCCCCCCC(=O)NC1CCN(CC(C)C)CC1 192981745 JBDJCXIAHNWUGM-UHFFFAOYSA-N 296.499 3.974 30 20 CHED Cc1cc(Nc2cccc(OCCCC#N)c2)nc(C)n1 194080472 QDPMUWUMWFDANJ-UHFFFAOYSA-N 282.347 3.520 30 20 CHED Cc1ccc(C(=O)/C=C\C(=O)Nc2c(C)cccc2C)cc1 199972870 JCFMZYMUXXBNSC-QXMHVHEDSA-N 293.366 3.989 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1 217039232 QWEWCNUWKVDEHI-WAPJZHGLSA-N 273.719 3.640 30 20 CHED C=CCCOCCNCc1c(CC)oc2ccccc12 229879843 WVSMHGPLULMHJX-UHFFFAOYSA-N 273.376 3.678 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1ncc(-c2ccccc2)o1 245810890 QVTOUEXNRADEOH-ZIAGYGMSSA-N 283.375 3.884 30 20 CHED C=CCC[C@H](NC(=O)/C=C\c1cccnc1)c1ccccc1 255128364 NDYJDWHKGFHORY-SQVRQVGWSA-N 292.382 3.919 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccs1)C2 255297567 NTXPWJZFGYJZKX-DHZHZOJOSA-N 256.326 3.579 30 20 CHED Cc1ccc(C=NOCc2cccnc2Cl)cc1 255522905 IJJOETOCWSUNKU-UHFFFAOYSA-N 260.724 3.594 30 20 CHED CC(=NOCc1ccc(Cl)cc1Cl)c1cnn(C)c1 255758393 YESJDXGMMPRTNV-UHFFFAOYSA-N 298.173 3.668 30 20 CHED C=C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 264139131 HGKXSQXRIZVVIP-UHFFFAOYSA-N 281.808 3.611 30 20 CHED N#CCCCCN1CCCC[C@@H]1Cc1ccccc1 264170212 ZVMFXRWSCJPEQV-QGZVFWFLSA-N 256.393 3.777 30 20 CHED C=CCCCC(=O)N1CCCCC[C@@H]1c1cccn1C 267267430 RQPARIUDXLMDCU-MRXNPFEDSA-N 274.408 3.825 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)[nH]1 269726402 WPUONDLDSMWQOX-OAHLLOKOSA-N 299.761 3.517 30 20 CHED C=C(C)[C@H](Cc1nc(-c2ccccc2Cl)no1)OCC 270000962 BAPYDQUUBFYIDK-ZDUSSCGKSA-N 292.766 3.914 30 20 CHED Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 271460337 PQYLGWYESKAOBC-ZIAGYGMSSA-N 265.360 3.674 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccccn1 271969604 WLSZNIZAFKXKID-NEPJUHHUSA-N 269.323 3.504 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cccc3[nH]ccc23)no1 273842220 ZHCAIGSLRMVQHE-LLVKDONJSA-N 283.331 3.872 30 20 CHED COc1ccc(C)cc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 274206258 MFXKUYZINIEHNX-SOUVJXGZSA-N 272.392 3.737 30 20 CHED CCCOc1ccc(NC(=O)CC(C)(C)C#N)c(C)c1 278245392 LPPMAKRWKPOXAB-UHFFFAOYSA-N 274.364 3.662 30 20 CHED CC(C)n1ncnc1CS[C@@H](C)c1cccc(C#N)c1 278736875 PZKITAZKIUSDBM-LBPRGKRZSA-N 286.404 3.725 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 278837127 UMYIWDGPDVROMJ-CLROSIBMSA-N 290.382 3.574 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(OCC#N)cc1 281660653 QETAOWCGVWFPHN-ZFWWWQNUSA-N 258.365 3.594 30 20 CHED Cc1coc(C)c1C(=O)Nc1cc(C#N)ccc1NC1CC1 286134330 YOQHELYNZMWQES-UHFFFAOYSA-N 295.342 3.595 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC2)cc1 291027394 DZBXDHGBFVALKY-MRXNPFEDSA-N 296.414 3.748 30 20 CHED C=CCC(C)(C)c1nc([C@@H]2CCCCS2)no1 291876618 JAJSWKPHZSDEHQ-JTQLQIEISA-N 252.383 3.882 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccccc1Cl 294308009 RJNUCPRQZRSTQJ-UHFFFAOYSA-N 251.757 3.672 30 20 CHED N#Cc1cc(N(C#N)C[C@@H]2CCCCC2(F)F)ccc1F 295928795 HBJBNMUUFNHOIO-LBPRGKRZSA-N 293.292 3.810 30 20 CHED N#Cc1ccc(Nc2cccc(CC(F)(F)F)c2)nc1 301478315 UVKBFGBDFYHPFV-UHFFFAOYSA-N 277.249 3.802 30 20 CHED COCCC(C)(C)CNc1ccc2cc(C#N)ccc2n1 302145949 HTZVBPGSAIDTPZ-UHFFFAOYSA-N 283.375 3.581 30 20 CHED CCC(=O)c1ccc(Oc2cc(C#N)ccc2[N+](=O)[O-])cc1 302217506 PXTLLFZAPGFQAL-UHFFFAOYSA-N 296.282 3.851 30 20 CHED C#CCCCCNc1nc(C)nc2scc(C)c12 302265912 FPTZZLQJWDICOI-UHFFFAOYSA-N 259.378 3.524 30 20 CHED CCOC[C@@H](Nc1ccc2cc(C#N)ccc2n1)C(C)C 302692383 RYUFKCSLYJCFFO-MRXNPFEDSA-N 283.375 3.579 30 20 CHED C[C@H]1CN(c2c(C#N)cccc2C#N)c2ccccc21 302861377 VFORJKISPWBTTG-LBPRGKRZSA-N 259.312 3.685 30 20 CHED Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc(C#N)c2)c1 303966868 QPRFGACAPHJZIH-HNNXBMFYSA-N 292.382 3.536 30 20 CHED COc1ccc(N/C(N)=N/CCCCC2CCCC2)cc1 304757985 PMGUNBKNLSTQQW-UHFFFAOYSA-N 289.423 3.782 30 20 CHED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1Br 309849478 IKEFXLBEHGWTKR-GHMZBOCLSA-N 279.181 3.862 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(CC#N)c2)C1 313455632 YANYLVLDFJSBSM-TZMCWYRMSA-N 256.349 3.517 30 20 CHED CC1=C(/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)CCC1 329271195 JEIYKJPKFTVXCN-TZMCWYRMSA-N 278.396 3.977 30 20 CHED C[C@@H]1CCCC[C@H]1/N=C(/O)N=C(O)CSCC1CC1 329636768 YIFYLRCCNSXEEY-ZYHUDNBSSA-N 284.425 3.579 30 20 CHED OC1=N[C@H](/C(O)=N/[C@@H]2CCC[C@H](c3ccccc3)C2)CC1 330212506 KHMSJJMNQQLXKZ-ZNMIVQPWSA-N 286.375 3.788 30 20 CHED Cc1ccsc1CCCC(=O)NC1(C#N)CCCCC1 330483866 VXKJQFHOWIVECE-UHFFFAOYSA-N 290.432 3.722 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(O)=Nc1cc(F)cc([N+](=O)[O-])c1 331000679 VURBSIQTQYJANJ-BXKDBHETSA-N 295.314 3.542 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@@H](C3CCCC3)C2)c1 333888778 WNKSUYTVNDDEFX-OAHLLOKOSA-N 283.375 3.602 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C12CCC(CC1)C2 335130676 GDDSSODHJDJAEY-WRSVWVKZSA-N 282.387 3.658 30 20 CHED CCN(C(=O)c1ccc(C#N)c(C)n1)c1ccccc1Cl 335916393 UNJKVOPKRSFPFQ-UHFFFAOYSA-N 299.761 3.582 30 20 CHED Cc1cc2cc(NC(=O)c3cccc(C#N)c3C)ccc2[nH]1 338146752 JFYUCIYAHWMDNP-UHFFFAOYSA-N 289.338 3.909 30 20 CHED N#CCCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 339325293 IDPFXPLKFJZBPN-UHFFFAOYSA-N 268.272 3.554 30 20 CHED CSc1ccc([C@@H](C)Nc2cccc(C#N)n2)cc1 341286611 ZSTASFKKGWMHDF-LLVKDONJSA-N 269.373 3.848 30 20 CHED C=CC[C@@H](CC)NCc1cnn(Cc2ccc(F)cc2)c1 341459926 LCADDBOYHPRRSN-QGZVFWFLSA-N 287.382 3.515 30 20 CHED N#CC1(N(C(=O)c2ccc3c(c2)CCCC3)C2CC2)CCC1 341616697 NUJIATVEDDBQJD-UHFFFAOYSA-N 294.398 3.616 30 20 CHED Cc1nsc(NCCc2c[nH]c3c(C)cccc23)c1C#N 342366472 IMVPKGTYHNCNLA-UHFFFAOYSA-N 296.399 3.768 30 20 CHED CC[C@H](C)CCC(=O)N(CCC#N)C(C)(C)CC 343757125 NDAWDVFWFRGUNG-ZDUSSCGKSA-N 252.402 3.744 30 20 CHED C=CCCN(C)C(=O)c1ccc(N(CC)CCC)cc1 344259450 CPLFCHPWCWWHCI-UHFFFAOYSA-N 274.408 3.571 30 20 CHED Cc1csc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c1C#N 344933889 YHGKBABCNJTDHN-UWVGGRQHSA-N 276.405 3.939 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccnc(C3CC3)n2)CCCC1(C)C 347441863 LSXFJQGDSROJHB-HNNXBMFYSA-N 299.418 3.561 30 20 CHED CC(C)CN(Cc1ccncc1)Cc1ccc(C#N)cc1 350656623 IXXWNMWAIXKFOQ-UHFFFAOYSA-N 279.387 3.611 30 20 CHED CCc1cccc(C)c1NC(=O)Cc1c(F)cccc1C#N 350681438 KFGASRXYVIDPIQ-UHFFFAOYSA-N 296.345 3.749 30 20 CHED C=CCCC1(C(=O)Nc2cccc(OCC)c2)CC1 354820804 ROOBKSUEVOVHPT-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CC[C@@H](C#N)SCCCCS[C@H](C#N)CC 355945106 SCYYDPXFXXIPOO-RYUDHWBXSA-N 256.440 3.837 30 20 CHED Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1O 356525990 ZKYMUIIVUDFLCQ-HNNXBMFYSA-N 294.354 3.727 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(C#N)c2)C1 358522875 RIDFNXKJVYSJMF-CHWSQXEVSA-N 281.359 3.585 30 20 CHED C=CCCOCCCCC(=O)N1CC2(CCC2)[C@H]1C(C)C 359186298 GTNHKMQSUBUWHM-QGZVFWFLSA-N 293.451 3.787 30 20 CHED CC1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CC1 360662888 HHKRJDKJLFWICK-MRXNPFEDSA-N 254.377 3.715 30 20 CHED Cc1cc(Sc2ccc(C#N)cc2F)nc(C2CC2)n1 361295234 DMXSUPVAZYTEHB-UHFFFAOYSA-N 285.347 3.824 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)C1(C#N)CCCC1 366956700 VVHAMLJMFKAIHG-RDJZCZTQSA-N 296.414 3.865 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](c2ccco2)C1)c1ccccc1 371372210 FQCAUESQTCPWBT-NVXWUHKLSA-N 295.382 3.955 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](C2CCN(C)CC2)C1 374347728 DEILTDZIJOFDAS-QGZVFWFLSA-N 294.483 3.537 30 20 CHED COc1cc(CN2CC[C@H](c3ccccc3)C2)ccc1C#N 389090848 JSDYDOYIHYXBMN-SFHVURJKSA-N 292.382 3.556 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(C(=O)O)ccc1C 398198797 DPXYHVMJBHTNJX-LBPRGKRZSA-N 290.363 3.560 30 20 CHED CC(C)(CNCc1ccc(C#N)c(F)c1)C1CCC1 404238530 VPNPKPOCBPGLGM-UHFFFAOYSA-N 260.356 3.613 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc(OC)c(Cl)c1 410135068 LQWZDIGNJGKWBL-ZDUSSCGKSA-N 295.810 3.752 30 20 CHED C[C@H]1Cc2ccccc2N(CCCC2(C#N)CCOCC2)C1 410345500 PYLMJMOSSLTTKH-INIZCTEOSA-N 298.430 3.786 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ncc(C#N)cc2F)C1 413161979 DXSQFQQESQXRJD-ZBEGNZNMSA-N 299.324 3.819 30 20 CHED N#Cc1cccc(Cl)c1NCC[C@@H]1C[C@H]2CC[C@H]1O2 413399400 BKFYOQXMJQHEHH-MPKXVKKWSA-N 276.767 3.581 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)CC 413993376 ZIBKTTUOZHEMCU-HNNXBMFYSA-N 259.393 3.726 30 20 CHED COC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CCCC1 417355664 BAULTBICIGKLCG-OALUTQOASA-N 298.430 3.730 30 20 CHED Cc1c(NC(=O)C[C@H]2CC[C@@H](C)C2)ccc(C#N)c1C#N 421557304 LFUADCQBKLKMCX-YPMHNXCESA-N 281.359 3.503 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1ccccc1N(C)C 421882044 PMKALUZURYFPHJ-LBPRGKRZSA-N 285.416 3.537 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1csc(-c2ccco2)n1 424732111 GUVPUVWWOUNCQN-UHFFFAOYSA-N 290.388 3.622 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(Cl)ccc1O 424738196 OWMZGTZRLXMOBE-UHFFFAOYSA-N 253.729 3.586 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(NC(=O)CC)ccc1C 425442674 JWNCWBVZRGUHCD-UHFFFAOYSA-N 288.391 3.884 30 20 CHED CC(C)CC1(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 425642560 ZJULVEQXWODNKO-CQSZACIVSA-N 284.403 3.904 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1ccc(OC)cc1 432106631 IROINIVZFGTJHY-CYBMUJFWSA-N 290.407 3.658 30 20 CHED CC[C@@H](CC#N)NCc1ccc(C(F)(F)F)s1 432919529 UKQKNGLCVVUECB-QMMMGPOBSA-N 262.300 3.549 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(Cl)cc1O 436528958 NCMOKFHUIILJHI-UHFFFAOYSA-N 281.783 3.864 30 20 CHED CC1=C(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CCC1 437295103 OPKZAWOYDLTPNB-UHFFFAOYSA-N 271.364 3.554 30 20 CHED Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OC(C)C)c1 442763140 AOOHVHQYFFKMTC-HOCLYGCPSA-N 272.392 3.564 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[C@H](C)CC1 443593761 PRVDHVNLBMBANR-WFASDCNBSA-N 285.391 3.957 30 20 CHED Cc1cc(CNC[C@H](C)Cc2cccs2)ccc1C#N 443981597 AZJQYUPYUWYDMX-CYBMUJFWSA-N 284.428 3.897 30 20 CHED CC(=O)c1ccccc1OCc1ccc(C#N)c(C)c1 447300092 WHRWSVVJSSKICW-UHFFFAOYSA-N 265.312 3.648 30 20 CHED CCCC(O)(CCC)CN[C@H](CC)c1ccc(C#N)cc1 447537342 VCTGAAXJHFLTHG-QGZVFWFLSA-N 288.435 3.930 30 20 CHED CCOc1ncccc1CN[C@@H](CC)c1ccc(C#N)cc1 447542279 OJXSOCIYKRWSPB-KRWDZBQOSA-N 295.386 3.593 30 20 CHED Cc1csc([C@H](C)CNC2CCC(C)(C#N)CC2)n1 449238495 RNDLVOXHEKNVIX-NUYPLMSZSA-N 277.437 3.617 30 20 CHED C=CCCCC[C@@H](C)Nc1cc(C)cc(C(N)=O)c1 449528666 RAZULCYIPIPXQM-CYBMUJFWSA-N 260.381 3.641 30 20 CHED C=CCC1(C(=O)N2CCC(OCC3CC3)CC2)CCCC1 450002925 KLNVDNDMDHXFIQ-UHFFFAOYSA-N 291.435 3.541 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)Nc1nccc(C#N)n1 450280582 YSZBNTFYSGJGCO-ZDUSSCGKSA-N 280.375 3.517 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc2cccnc2s1 450423380 IONATHZBBOASKM-NSHDSACASA-N 274.389 3.771 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)[nH]1 450429212 YTHAWIDLCNKQTF-SECBINFHSA-N 274.286 3.508 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCOC3(CCC3)C2)CCCC1 452759164 QAJOXHNZEUGBPH-HNNXBMFYSA-N 291.435 3.588 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C2CC2)c1 454537513 WSXKUDDQWZUZRO-OLZOCXBDSA-N 272.392 3.889 30 20 CHED C=C(CC)CNC(=O)N(C)[C@H](C)C1CCCCC1 455545585 UQYGLIUNWHUJLY-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=CCC1(NC(=O)c2ccc(C#N)cc2)CCCCC1 456389059 XAFJCYZAWKVKTN-UHFFFAOYSA-N 268.360 3.567 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(CC#N)c1 456760569 XEWJQWMQOFIGPP-UKRRQHHQSA-N 256.349 3.517 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](c1cccs1)C1CC1 457558427 CIYHRLCMUNRLPS-ZDUSSCGKSA-N 278.421 3.711 30 20 CHED C=C[C@@H](CC(=O)N[C@]1(C)CC=CCC1)c1ccccc1 458327211 BSKRLJIPSCIUKV-MAUKXSAKSA-N 269.388 3.961 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)CCCc1cccnc1 459647374 JXMGZNIZZIGZFC-JYJNAYRXSA-N 260.425 3.983 30 20 CHED C=C(C)COCCNC(=O)[C@@H](CC)C1CCC(C)CC1 461023061 BYJJVPAEGUTKAY-GPANFISMSA-N 281.440 3.548 30 20 CHED CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)c1cccc(C#N)c1 463951462 QMTGPMCRHFSLKB-WBAXXEDZSA-N 298.430 3.993 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC(C)C)c1ccccc1 466952720 GJJLQOJEBGDCMG-INIZCTEOSA-N 274.408 3.991 30 20 CHED C=CCN(C)C(=O)c1sc2ccc(C)cc2c1C 469820237 PXDKDXQSGZQNHM-UHFFFAOYSA-N 259.374 3.776 30 20 CHED C=CCOCCCN[C@H](c1cccc(C)c1)C(F)(F)F 470758600 YTCZJAFYPUBHQQ-CQSZACIVSA-N 287.325 3.781 30 20 CHED C=CCOCCCN1CC[C@H](c2ccccc2)[C@H](C)C1 470766755 RPTPQRPENBVPEO-AEFFLSMTSA-N 273.420 3.705 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc(N(C)C(=O)NCC)c1 475509295 FXWQQGISTBFRJP-KBPBESRZSA-N 289.423 3.865 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1F 475589019 JIUFZWCFDICSBG-DVOMOZLQSA-N 288.366 3.723 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C#N)C1CCCCC1 476254932 TZDCLOIZCFMXII-BMFZPTHFSA-N 276.424 3.791 30 20 CHED C=C(C)CN(CC)Cc1nc(-c2ccc(F)c(C)c2)no1 483421193 MKFHNZXGSQMZNI-UHFFFAOYSA-N 289.354 3.582 30 20 CHED Cc1ccc2ncc(C#N)c(N3CC[C@@H](C)[C@H]3C)c2c1 488113317 JCGWBYFMBKJKPM-CHWSQXEVSA-N 265.360 3.650 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCc2sccc21 488878321 LRUVQLIBPVBQSA-OCCSQVGLSA-N 275.417 3.735 30 20 CHED C=C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 489185466 OUHYVOFYHPANPH-CYBMUJFWSA-N 260.337 3.616 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc2oc(C(=O)OC)cc2c1 489421778 DTMXIEGRTALLHQ-OAHLLOKOSA-N 299.370 3.760 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(CC)c(Cl)c1 490775978 YZFOQBCNRRYUAQ-VIFPVBQESA-N 252.745 3.598 30 20 CHED C#C[C@H](NCc1ccc(C)cn1)c1ccc(Cl)cc1F 491486399 VUTMYXINDUONQX-INIZCTEOSA-N 288.753 3.647 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C/c1cnccc1C 492498873 HPSVQDCDODAYNT-MDZDMXLPSA-N 292.382 3.618 30 20 CHED CC1CCN(CCN(Cc2ccc(C#N)cc2)C(C)C)CC1 493533174 WLMITKJLFWYNOB-UHFFFAOYSA-N 299.462 3.501 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C1CC1 495181366 QERQTBGMYGMUGG-ROUUACIJSA-N 298.430 3.758 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2ccc(F)cc2n1CC 498384762 VXHMGMAWWYLOOY-UHFFFAOYSA-N 289.354 3.736 30 20 CHED Cc1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1 503460859 KXSSKKYRUDDBPE-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C=CCCC(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 504850900 FUDGQDWFXQBOMH-CQSZACIVSA-N 287.407 3.674 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc(Cl)ccc1C 505032795 NPBPELMQZSHQDZ-UHFFFAOYSA-N 265.784 3.867 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCC(CC)CC1 508477023 IKOQMGVUCYKFPJ-UHFFFAOYSA-N 290.455 3.679 30 20 CHED C=CCn1c(N2CCC[C@@H](C(C)C)C2)nnc1C(C)(C)C 508839618 GNAXBRVWEYJYQE-CQSZACIVSA-N 290.455 3.634 30 20 CHED CC(C)CCOc1ccc(CN(CC#N)C2CC2)cc1 511955783 PHKOBUXVBPYNAS-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(C#N)cc1 512235893 ZGKLSVHQJOPVRW-HIFRSBDPSA-N 285.391 3.896 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccnc(Oc2ccccc2)c1 517754025 ZXYRSWCMEHXRQB-OAHLLOKOSA-N 296.370 3.958 30 20 CHED C=C(C)CCN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC 518740723 OFIOOZOMYBQXIC-KURKYZTESA-N 273.420 3.894 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)n1 528966882 OHBPSUAIHSOFQA-RMIQQSQVSA-N 288.416 3.735 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CCCC1 530971298 UZLUMNIBSDGTRE-ZWKOTPCHSA-N 268.404 3.948 30 20 CHED Cc1ccc2c(CC(=O)N[C@@](C)(C#N)CC(C)C)coc2c1 533875352 GSAYUIDYDXYCBQ-GOSISDBHSA-N 298.386 3.728 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccc(F)c(F)c1 537232609 QJMDYQZKPMLVDO-NWDGAFQWSA-N 281.346 3.929 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@@H](CC)c1ccccc1 537612891 INOFXSFICPSBET-ZBFHGGJFSA-N 274.408 3.834 30 20 CHED C=CCN1CC[C@H](Sc2ccc3ccccc3c2)C1=O 539512917 ZYRLNGLADFSMPP-INIZCTEOSA-N 283.396 3.719 30 20 CHED Cc1ccc(CN(C)c2ncc(Cl)c(C)c2C#N)s1 541347686 ICSBSVHDPRBPDA-UHFFFAOYSA-N 291.807 3.921 30 20 CHED C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 543152871 MGRJMBXZXSIHFH-WFASDCNBSA-N 270.376 3.862 30 20 CHED COC[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 543869759 DRUKDMOIRGWSPM-GJZGRUSLSA-N 294.398 3.911 30 20 CHED C=CCOc1ccc(CNC(C)(C)CCOC)cc1Cl 546061986 XRHSAPHRTVLAPI-UHFFFAOYSA-N 297.826 3.810 30 20 CHED C=CCCc1nc(-c2ccccc2CN2CCCCC2)no1 546412107 FRAIUJWCVXMFOA-UHFFFAOYSA-N 297.402 3.841 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@H](C(C)C)CC1 551181734 IMEOUYSZQQOLCR-AWEZNQCLSA-N 251.414 3.873 30 20 CHED CCCCc1ccc(NC(=O)c2ncc(C#N)cc2C)cc1 554933561 XICMNSLHGOFNPP-UHFFFAOYSA-N 293.370 3.857 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(OC)cc(OC)c2)n1 556359945 ISURWTMTQOTPGW-UHFFFAOYSA-N 288.347 3.608 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(O)cc2Cl)n1 556366583 NDPZNYKSWCAOIG-UHFFFAOYSA-N 292.766 3.873 30 20 CHED CN(CCC1(C#N)CCCCC1)c1cccc(O)c1 560693630 GQFAVIGRDZEDJJ-UHFFFAOYSA-N 258.365 3.693 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(C)s2)no1 564129479 NZGULYIDPYNDNT-CQSZACIVSA-N 262.378 3.884 30 20 CHED N#C[C@H](NC(=O)Cc1cccc(C2CC2)c1)C1CCCCC1 565526940 FEPAFAFRHXRTFO-SFHVURJKSA-N 296.414 3.695 30 20 CHED C=CCn1c(C)nnc1N(CC)C[C@H](CC)c1ccccc1 565627632 WGKOVSCSXMEDKZ-INIZCTEOSA-N 298.434 3.793 30 20 CHED C[C@H](CC(C)(C)C)C(=O)N1CCC(CCC#N)CC1 565953840 UOCKTPLXEMWUCS-CYBMUJFWSA-N 264.413 3.601 30 20 CHED N#Cc1cc(F)cc(OCCOc2ccccc2Cl)c1 565973818 VHNCTLCKLIOTSG-UHFFFAOYSA-N 291.709 3.809 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N[C@@](C)(C#N)C(C)C 566678918 MINMEOFRKAIDKH-HOCLYGCPSA-N 264.413 3.813 30 20 CHED C=CCC1(NC(=O)Cc2ccc3c(c2)COC3)CCCCC1 569312978 WXNNRYTYPDEQQE-UHFFFAOYSA-N 299.414 3.655 30 20 CHED CCN(CCCCC(C)(C)C#N)CCN1CCCCCC1 576333631 LPRBDPZEHICVOZ-UHFFFAOYSA-N 293.499 3.904 30 20 CHED COC(=O)c1ccc(Nc2cccc(C(C)C)c2)c(C#N)n1 576787032 PXSYLSZYAWWPJI-UHFFFAOYSA-N 295.342 3.607 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 577522727 UUOAMOZSLCDAAH-CYBMUJFWSA-N 262.353 3.819 30 20 CHED Cc1cc(S[C@@H]2C[C@H](C)CCC2=O)ccc1C#N 578323008 WUOLYURLGCQNSW-MEBBXXQBSA-N 259.374 3.717 30 20 CHED N#CCCCCCC(=O)Nc1cccc(Cl)c1F 588148350 PSCWTRWLQMSAIN-UHFFFAOYSA-N 268.719 3.892 30 20 CHED C=C(CNc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 588840843 SZNGCYXTZMYGPC-UHFFFAOYSA-N 296.326 3.923 30 20 CHED COc1ccccc1[C@@H](C)Nc1ncc2c(c1C#N)CCC2 591817489 IZRLLUUULVKDMJ-GFCCVEGCSA-N 293.370 3.624 30 20 CHED CC[C@@H](CC#N)NCc1csc(C2CCCC2)n1 594009508 ZKNQOBPJIZXGIR-LBPRGKRZSA-N 263.410 3.583 30 20 CHED C[C@H](c1nc2ccccc2o1)N1CCC[C@H](CC#N)C1 595619732 GLXFQOOFNFLGLG-CHWSQXEVSA-N 269.348 3.514 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](CC#N)C2)C1 596266895 XZMCEIKVCLKRFY-BZUAXINKSA-N 291.439 3.536 30 20 CHED C=CCCSCCNC(=O)c1cccc(C2CC2)c1 597976181 RXYSPUSJHRTRMK-UHFFFAOYSA-N 275.417 3.603 30 20 CHED N#Cc1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)s1 598152088 DDDYZABKJFVBNA-CYBMUJFWSA-N 288.416 3.662 30 20 CHED N#Cc1ccc(-c2cccc(C3CCNCC3)c2)cc1 600775527 JCCXVNWXGVVOBU-UHFFFAOYSA-N 262.356 3.692 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccccc1CC#N 601628011 LSXUWPPUTIVBRL-HOTGVXAUSA-N 284.403 3.697 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2cccc(C#N)n2)C1 602476233 XAAGWHXWZXIHHT-ACJLOTCBSA-N 295.361 3.675 30 20 CHED Cc1cc(F)ccc1N[C@H](C)CC1(C#N)CCOCC1 602490773 FOGTYUBFNVCSLM-CYBMUJFWSA-N 276.355 3.645 30 20 CHED CC[C@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccccc1 603501076 GHOVTFQNVSQDQQ-OAHLLOKOSA-N 293.370 3.874 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)c2ccc(C#N)cc2)c(C)c1 609410635 WZUHFQDBINXDRZ-HNNXBMFYSA-N 292.382 3.536 30 20 CHED CC(C)n1cc([C@H](C)Nc2cccc(F)c2C#N)cn1 609586014 OLLCJBBDNYHFFM-NSHDSACASA-N 272.327 3.648 30 20 CHED Cc1cc(C#N)ccc1Oc1cnc2cc(F)c(F)cc2n1 609892773 UIPMYADWRWHGFW-UHFFFAOYSA-N 297.264 3.880 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(C#N)cc1 610023544 JZBFRNHUOGZXFK-WMLDXEAASA-N 299.418 3.668 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(Sc2ccccc2)c1 610426856 GGIUHFZBWIMIQJ-GFCCVEGCSA-N 282.368 3.936 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccco1 610492328 DRNXKYVMXPFMRE-GFCCVEGCSA-N 297.358 3.715 30 20 CHED CC(C)OC1CCC(Nc2nc3c(cc2C#N)CCC3)CC1 611030815 KXYOYQFQZFKZJL-UHFFFAOYSA-N 299.418 3.590 30 20 CHED N#Cc1cc(Cl)c(C(=O)NCC2CCCC2)c(Cl)c1 611093046 SOXSWMUVLZDBPJ-UHFFFAOYSA-N 297.185 3.785 30 20 CHED CCCN(Cc1ccc(OC)cc1)c1nccc(C)c1C#N 612074313 FVGOALFEHBQDTB-UHFFFAOYSA-N 295.386 3.687 30 20 CHED C[C@H](CCc1ccccc1)N1CCC[C@@](C)(C#N)C1 612164770 IQISBZUUDYIARC-WBVHZDCISA-N 256.393 3.633 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC2(CC1)CC2 614178997 ZBZNCZDQYVAVDO-UHFFFAOYSA-N 260.768 3.588 30 20 CHED N#Cc1cccnc1S[C@@H]1CCc2ccccc2C1 614799521 BJUURRFXWYKDTE-OAHLLOKOSA-N 266.369 3.603 30 20 CHED CC1(C)CC[C@H](Nc2cc(C#N)ncn2)c2ccccc21 616176660 YRUQNUMJOFQPDL-HNNXBMFYSA-N 278.359 3.573 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 618819176 DZQLLSYQRIMDHW-AHIWAGSCSA-N 299.418 3.669 30 20 CHED C=CCC1(NC(=O)c2ccc3ncccc3c2)CCCC1 619104401 LHXXYUSUTDNIHO-UHFFFAOYSA-N 280.371 3.854 30 20 CHED C=CCC1(NC(=O)c2oc(CCC)nc2C)CCCC1 619110011 BTVNTDVBPWAFAO-UHFFFAOYSA-N 276.380 3.554 30 20 CHED C=CCC[C@H](NC(=O)c1cn(CC)nc1C)c1ccccc1 626216210 IAFUYIYIPCFHSH-KRWDZBQOSA-N 297.402 3.649 30 20 CHED C=CCCCCNC(=O)[C@@H]1CCCc2ccc(OC)cc21 653751092 HXVQYSZULIICTN-MRXNPFEDSA-N 287.403 3.588 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC1CCN(C2CC2)CC1 657993892 MQPIVQNESBBXEQ-SJLPKXTDSA-N 276.468 3.585 30 20 CHED C=CC[C@H]1CCCN(Cc2nc(C)c(C)s2)C1 661380988 SGXTWABGBDVZCX-ZDUSSCGKSA-N 250.411 3.548 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1csc(CC)n1 664083246 IRXIXNVMCYDFLY-NSHDSACASA-N 295.452 3.811 30 20 CHED C=CC[C@H]1CCCN(c2ncnc3c(F)cccc23)C1 664256466 QJYDZFLTWDZZRU-LBPRGKRZSA-N 271.339 3.561 30 20 CHED C=CCC1(N[C@H](C)CCCC(F)(F)F)CCOCC1 668551824 XUCXWEDMTLHPHJ-GFCCVEGCSA-N 279.346 3.822 30 20 CHED C=C(C)[C@@H](NC[C@H](O)C(C)(C)C)c1ccc(F)c(F)c1 676495819 MNQCVUDWHCVNJV-LSDHHAIUSA-N 283.362 3.579 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2CC23CCC3)CCCC1(C)C 683457878 PBQJGBQMISYFOW-ZIAGYGMSSA-N 261.409 3.770 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1c2ccccc2CC[C@@H]1C 684774193 SYLZCFBSLGVJLU-FXECBMLZSA-N 285.431 3.881 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)CC(C)(C)C 684783183 UQFYVPKOLRFVAW-DZKIICNBSA-N 281.440 3.546 30 20 CHED C[C@H](CN[C@H](C)CC(C)(C)C#N)COCc1ccccc1 695840478 BSOFWRBIRBIQJX-HZPDHXFCSA-N 288.435 3.757 30 20 CHED C=CCCC(=O)OCC(=O)Nc1ccc([C@@H](C)CC)cc1 726652206 MXWZRQHXDNNHBC-ZDUSSCGKSA-N 289.375 3.648 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C1(C)CCOCC1 726754013 MGTNEMZJKLCHPD-HNNXBMFYSA-N 283.456 3.916 30 20 CHED Cc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)cc1 727973122 RHSZZGPTYZQOHQ-UHFFFAOYSA-N 269.304 3.658 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1 728438975 SFZJDECPJYLPJY-SOFGYWHQSA-N 256.276 3.736 30 20 CHED COc1cccc(NN=C(C)Cc2ccsc2)c1 729635281 LPRKQHKWEMUPML-UHFFFAOYSA-N 260.362 3.787 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(OCC#N)c2)s1 730150994 GYZZMCWDGYTAFK-SREVYHEPSA-N 283.352 3.855 30 20 CHED C#CCOc1cccc(NC(=O)Cc2ccccc2Cl)c1 730979103 AHXPFYUXJDPDTB-UHFFFAOYSA-N 299.757 3.533 30 20 CHED N#Cc1ccc(NN=Cc2ccnc3ccccc23)cc1 731313629 CGGBNZCRUPSXAJ-UHFFFAOYSA-N 272.311 3.552 30 20 CHED Cc1ccccc1/C=C1/Cc2cc(F)ccc2C1=O 734305242 NOZJVJAKBIGTJZ-ZSOIEALJSA-N 252.288 3.957 30 20 CHED C=CCCCOC(=O)CCC(=O)c1cc(C)ccc1C 735523834 CZAPNTLGQPVMPF-UHFFFAOYSA-N 274.360 3.776 30 20 CHED CCCCCCCCCC(=O)N(C)[C@@H]1CCCN(C)C1 741626562 ZOCXAQUZTFKTCW-MRXNPFEDSA-N 282.472 3.680 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1ccc(OCC#N)cc1 741797246 KGNBHPGLKZMIMY-HNNXBMFYSA-N 292.382 3.536 30 20 CHED C#CCCCNC(=O)N(CC)[C@@H](CC)c1ccccc1 743690828 KASZAKDZDLNGBC-INIZCTEOSA-N 272.392 3.583 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1nc2ccccc2n1C)C(C)(C)C 744011021 UZJHLYYIVWAXMI-RSKUSDAESA-N 295.386 3.742 30 20 CHED N#CCCCCOC(=O)c1cc(Cl)cc2cccnc12 745018179 KKPATCCFYQIJBH-UHFFFAOYSA-N 288.734 3.739 30 20 CHED C=CCN(C(=O)NCc1c(F)cccc1Cl)C(C)C 746964513 ZWSVYHIOIWVGSY-UHFFFAOYSA-N 284.762 3.585 30 20 CHED C=CCOC(=O)c1cc(C2CC2)nc2ccc(C)cc12 747048528 KWUZLRYCFSKGML-UHFFFAOYSA-N 267.328 3.763 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(C)c1)C2 747440713 QBRHBWBQPLNEEM-OQLLNIDSSA-N 294.350 3.835 30 20 CHED CCOCc1cc(C=NOCc2ccccc2)ccc1OC 747612276 YVQQOBSVOBXTPO-UHFFFAOYSA-N 299.370 3.782 30 20 CHED C[C@H]1CC(C)(C)CCC1=NNc1ccc(Cl)nn1 748245436 ZYYSZGGJJAGRGG-VIFPVBQESA-N 266.776 3.744 30 20 CHED C=CCCC(CC)=NNCc1ccc(F)c(F)c1 750934765 PWYIPTIXCXUTQN-UHFFFAOYSA-N 252.308 3.787 30 20 CHED CN1CCc2cc(/C=C3/CCc4ccccc4C3=O)ccc21 751525615 JKYNPUJUULASOW-LGMDPLHJSA-N 289.378 3.891 30 20 CHED FC(F)(F)C(=NOC[C@H]1CCCCO1)c1ccccc1 751966462 XXFWWRCUUJDLGE-GFCCVEGCSA-N 287.281 3.539 30 20 CHED CCCC(CCC)C(=O)OCc1ccc(C#N)cc1 753430423 DYBVEDIVQQXIER-UHFFFAOYSA-N 259.349 3.818 30 20 CHED C=CCN(Cc1cn(C)nc1C1CCCCC1)C(C)C 753536118 OWNFIKHWXXNHBF-UHFFFAOYSA-N 275.440 3.864 30 20 CHED CCCCCCCCCCNC(=O)[C@]1(C)CCOC1 754347533 MPLRVAIVJNSKNS-MRXNPFEDSA-N 269.429 3.670 30 20 CHED C#C[C@@H](CC)NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 754373804 FWZIYCMXCSKNOV-KBPBESRZSA-N 297.320 3.727 30 20 CHED CC(=O)CCCCCCC(=O)N[C@@H](C#N)C1CCCCC1 754432419 MFEDKVVIGZLWSN-INIZCTEOSA-N 292.423 3.505 30 20 CHED C#CCCN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 754486545 VWEVICDKKSUPRO-NWDGAFQWSA-N 269.310 3.810 30 20 CHED C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)C1CCC1 755390641 PWQWZRRMYCBFPF-SECBINFHSA-N 293.823 3.687 30 20 CHED C=CCCOCCNC(=S)Nc1cccc(C(C)C)c1 756852961 YBDJVUBAKMEMMK-UHFFFAOYSA-N 292.448 3.689 30 20 CHED COC(=O)CCC(C)=NNc1ccc(Cl)cc1Cl 756875636 CNLHQWLFMLHBQD-UHFFFAOYSA-N 289.162 3.734 30 20 CHED C#CC[C@H](Nc1c(F)c(F)nc(F)c1F)c1ccccc1 756956402 DUASVHXNSJWCBQ-JTQLQIEISA-N 294.251 3.815 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)c1cccc(C)c1)c1ccccc1 757599501 MWWOJCZSSJKRIU-VQIMIIECSA-N 291.394 3.979 30 20 CHED C#CC[C@H](NC(=O)N(CC)[C@@H](C)C(C)C)c1ccccc1 757779870 XOSKTRONIAWOHH-RDJZCZTQSA-N 286.419 3.827 30 20 CHED CCC(=NNc1c(Cl)cccc1Cl)c1ccn(C)n1 758123092 ADKIFAGCRMEWAM-UHFFFAOYSA-N 297.189 3.953 30 20 CHED N#CCOc1ccc(CSc2cccc(C#N)c2)cc1 759049848 TWWPXGVMTXCNLX-UHFFFAOYSA-N 280.352 3.753 30 20 CHED O=[N+]([O-])c1cccnc1NN=Cc1cc2ccccc2s1 759205272 DCLPLNKDFRRZRF-UHFFFAOYSA-N 298.327 3.651 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@H](C)C(C)(C)C1)c1ccccc1 760128269 YRYWQNBZNWSBSX-RDJZCZTQSA-N 298.430 3.829 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc(-n3cccn3)c2)o1 760261386 AVLFEEGXKRXVBE-FPLPWBNLSA-N 278.311 3.670 30 20 CHED CC(=NOCc1ccccc1)c1nc2c(s1)CCCC2 761254671 QNGNOKHNCGAGTF-UHFFFAOYSA-N 286.400 3.963 30 20 CHED O=C(/C=C/c1nc2ccc(F)cc2s1)c1cccnc1 761473889 IWSAATQUTVXRNR-AATRIKPKSA-N 284.315 3.727 30 20 CHED C#CCOc1ccccc1-c1noc(C=C(CC)CC)n1 761995233 JHJLPBWDQMRMBO-UHFFFAOYSA-N 282.343 3.952 30 20 CHED CCC(=NN=c1cc[nH]cc1)c1cccc(Cl)c1F 763406064 JZSAQPAMJMECHW-UHFFFAOYSA-N 277.730 3.522 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)[C@@H](CCC)C(C)C 764273581 PPYWZYHXMVFGSX-AWEZNQCLSA-N 291.366 3.849 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc2[nH]ncc2c1 766030891 ZSHRGALYCZCZHU-SNVBAGLBSA-N 256.353 3.787 30 20 CHED C#Cc1cccc(NC(=O)CO[C@H]2CCCC[C@H]2CC)c1 766340382 UXFSGYRHITYEEM-WBVHZDCISA-N 285.387 3.592 30 20 CHED C#CCN(CC)C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 766402264 BLDYEOROXBFSMF-IAGOWNOFSA-N 293.451 3.624 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 767121365 DXXZWMYRZVYQLH-QGZVFWFLSA-N 299.389 3.927 30 20 CHED C#C[C@H](OC(=O)c1occc1-c1ccccc1)C1CC1 767521536 JKXPBXJRLOUPEV-HNNXBMFYSA-N 266.296 3.515 30 20 CHED N#Cc1cccc(NN=Cc2ccc(F)cc2Cl)c1 767765909 SSPMPJHWWRITAI-UHFFFAOYSA-N 273.698 3.797 30 20 CHED C#CCCN(Cc1cccc2[nH]ccc12)CC(F)(F)F 768533626 HURPCNHWEIOLEY-UHFFFAOYSA-N 280.293 3.556 30 20 CHED CN(CCc1ccccc1F)CC(C)(C)CCC#N 769020858 HKKQMPVRQDLGMP-UHFFFAOYSA-N 262.372 3.630 30 20 CHED CCSc1cccc(C=NNc2cncc(Cl)n2)c1 769781236 MSHXRYGOPABPQU-UHFFFAOYSA-N 292.795 3.688 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1cc(C)ccc1C 769816020 RHAIWYHIBQTCRS-UHFFFAOYSA-N 277.371 3.689 30 20 CHED N#Cc1cccc(C=NNc2c(F)cccc2Cl)c1 769831294 YGAKZIXAUTWIRL-UHFFFAOYSA-N 273.698 3.797 30 20 CHED N#CC1(C(=O)OCC2CCC(C(F)(F)F)CC2)CCC1 770375429 PPLAXJWNAJSMCU-UHFFFAOYSA-N 289.297 3.592 30 20 CHED O=C1C(=Cc2cscc2Cl)C(=O)c2ccccc21 771849810 YOCOIGUOHLXVKI-UHFFFAOYSA-N 274.728 3.864 30 20 CHED CCC(CC)CNN=C/C=C\c1ccccc1[N+](=O)[O-] 774479519 YBJZLCTUGLHMST-NERDPXHRSA-N 275.352 3.620 30 20 CHED C[C@@]12CC3CC(C(=O)OCC4(C#N)CC4)(C1)C[C@](C)(C3)C2 775829020 VJZAIWFKKOUYDZ-JIPDSPKZSA-N 287.403 3.830 30 20 CHED COc1cc(/C=C2/CCc3ccc(F)cc3C2=O)ccc1O 776191218 CGGYJUYNUSFFCN-JYRVWZFOSA-N 298.313 3.752 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)OCCC(C)(C)C#N)C1(C)C 776365408 GOZOTCOEONHFIM-CHWSQXEVSA-N 263.381 3.708 30 20 CHED CC(=NOCCC(F)(F)F)c1c(F)cccc1F 777459058 GNIVGIRAMWVFDE-UHFFFAOYSA-N 267.197 3.658 30 20 CHED C=CC[C@@H](C(=O)OCCCCC#N)c1ccccc1 778426049 BPNJTFSTHKNUFD-OAHLLOKOSA-N 257.333 3.583 30 20 CHED CCC(CC)OC(=O)c1ccc(C#N)c(Cl)c1 778543710 CPHDSJSANIIUCQ-UHFFFAOYSA-N 251.713 3.557 30 20 CHED C=C(C)CNC(=O)c1sccc1-c1ccc(F)cc1 779070940 BKXBBCSPOVOERU-UHFFFAOYSA-N 275.348 3.860 30 20 CHED C[C@@H]1CCc2[nH]c3ccc(C(=O)OC(C)(C)C#N)cc3c2C1 779223497 SIQXXQWSDVDWFU-LLVKDONJSA-N 296.370 3.752 30 20 CHED CCc1c(C(C)=NN=c2cc[nH]cc2)oc2ccc(C)cc12 779809090 LBTUPLZDEYFBKZ-UHFFFAOYSA-N 293.370 3.957 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C)cc1OCC 779858103 WFBWOXPPDDKQAQ-UHFFFAOYSA-N 273.376 3.916 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1ccnc(Cl)c1 782184228 IFRQWZVMDOGWPF-ONEGZZNKSA-N 279.126 3.680 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1C[C@@H]2C[C@@]2(CO)C1 783818465 IKGPQEPPASGKPR-BQFCYCMXSA-N 295.467 3.604 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(F)cn1 783878467 UZSNXKOYYVXFHD-UHFFFAOYSA-N 288.713 3.582 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc(Cl)c(C)c1 787308614 DVHYKCBMAPOXFK-ZDUSSCGKSA-N 250.773 3.584 30 20 CHED Clc1cccc(Cl)c1C=NNCCc1ccncc1 789094136 NGCOYHNRTDWKGF-UHFFFAOYSA-N 294.185 3.555 30 20 CHED CC(=NNCCc1ccncc1)c1oc2ccccc2c1C 789098420 YKYOKCVTLASFTH-UHFFFAOYSA-N 293.370 3.693 30 20 CHED CCC[C@@H](C)N(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 790295424 GGLXNWVBVPAGDN-GFCCVEGCSA-N 297.320 3.704 30 20 CHED C#CCN(C)C(=O)c1cc(C)ccc1SC1CCCC1 790970613 AKPMGNKYNUNWAT-UHFFFAOYSA-N 287.428 3.735 30 20 CHED Cc1nc2c(s1)C(=NNc1cccc(Cl)n1)CCC2 793174711 NGZUENPGWKPBKP-UHFFFAOYSA-N 292.795 3.652 30 20 CHED C[C@@H]1C(=NNc2cccc(Cl)n2)CCC[C@H]1C 793174967 OWWFAYYPGBWHMJ-ZJUUUORDSA-N 251.761 3.959 30 20 CHED CCSc1cccc(/C=C2\CCc3nn(C)cc3C2=O)c1 794962560 QLVRKQAGUFOMNE-UKTHLTGXSA-N 298.411 3.745 30 20 CHED C=C(C)CNC(=S)Nc1cc(C)c(F)cc1Cl 795101553 HMQAJIXZSDGUMG-UHFFFAOYSA-N 272.776 3.650 30 20 CHED CC(C)c1occc1C(=O)OCc1ccc(C#N)cc1 796398359 PHNHLKQWIDMJLN-UHFFFAOYSA-N 269.300 3.632 30 20 CHED C#CCN(Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 796641771 ZZNFOUAQTDKWJN-GOSISDBHSA-N 299.801 3.509 30 20 CHED N#CC[C@@H](CC(=O)OCCC1CCC1)c1ccccc1 796830818 VCYQFQWPQAYTAX-INIZCTEOSA-N 271.360 3.807 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C[C@@H](C)CCC#N 797404000 FCQPPDVTZZTHML-JTQLQIEISA-N 279.775 3.591 30 20 CHED C/C=C(\CC)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797570636 JCPNCVUSIBAGQB-CDCCAWJDSA-N 276.405 3.973 30 20 CHED C=C(C)CCOC(=O)c1cnc(C)c(Cl)c1Cl 803409182 URJGERYWIIPCIU-UHFFFAOYSA-N 274.147 3.820 30 20 CHED C=C(CNC(=O)/C=C/c1cccs1)c1ccccc1 805249996 JEUWSYBISZLCDW-MDZDMXLPSA-N 269.369 3.591 30 20 CHED N#CCCCCCC(=O)O[C@@H]1CCCc2ccccc2C1=O 805695751 HDFDLGAEOHCSLC-MRXNPFEDSA-N 299.370 3.591 30 20 CHED C[C@H]1CCC[C@H](COC(=O)CCCCCC#N)C1 805697808 HQDQMNHCDRYMJO-KBPBESRZSA-N 251.370 3.830 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(COC(C)(C)C)cc1 806338585 RCHXNDDQUVFXFQ-AWEZNQCLSA-N 288.391 3.535 30 20 CHED CCO[C@H]1CC(=NNc2cccc(Cl)c2)[C@@H]1SC 807943675 YTEKIEBQCCIAEE-STQMWFEESA-N 284.812 3.648 30 20 CHED c1ccc(C(C[C@@H]2CCOC2)=NNCC2CCCC2)cc1 808005807 KFWVAZLKUXHZOW-INIZCTEOSA-N 286.419 3.597 30 20 CHED CCc1cc(C#N)ccc1OCC[C@H](O)c1ccccc1 808266397 GMZFJXOAXGEWHZ-KRWDZBQOSA-N 281.355 3.623 30 20 CHED C#Cc1ccccc1Cc1nc(-c2cccc3[nH]ccc23)no1 810281378 KDBJJVGYCBZHQZ-UHFFFAOYSA-N 299.333 3.790 30 20 CHED C=CCCCCCCCNC(=O)NCc1scnc1C 811875831 NRLKAZFKUBKEBV-UHFFFAOYSA-N 295.452 3.777 30 20 CHED C#CCN(C)C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 812057395 UYDIGZBZZCMGCX-OAHLLOKOSA-N 292.810 3.702 30 20 CHED CCCCCCCCCNC(=O)c1ncn(C(C)(C)C)n1 812459233 XRPNRFAHEAKELC-UHFFFAOYSA-N 294.443 3.514 30 20 CHED C[C@@H](CCOC(=O)CCCC#N)c1c[nH]c2ccccc12 813094806 WIVTUUHGHPOLLA-ZDUSSCGKSA-N 284.359 3.899 30 20 CHED CCO[C@@H]1CC(=NOCCC2CC2)C12CCCC2 814245645 AZRNUUBGRDQGSY-CQSZACIVSA-N 251.370 3.528 30 20 CHED Cc1sccc1C=NNc1cc(F)c(F)c(F)c1 814864052 NOSKTRCCTCNNGL-UHFFFAOYSA-N 270.279 3.920 30 20 CHED COc1ccc(C=NNc2ccc(F)c(F)c2F)s1 814945723 NBFVDFIKWAWSGQ-UHFFFAOYSA-N 286.278 3.620 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2CCCC23CCCC3)c1 815594990 FALHFRSOGLCOBO-MRXNPFEDSA-N 272.367 3.900 30 20 CHED C#C[C@@H](NCc1ccc(Sc2ccccn2)o1)C(C)C 816607165 HTXOOKOHVACWAF-CQSZACIVSA-N 286.400 3.573 30 20 CHED C#CCCCCc1nc(C2(c3ccccc3F)CC2)no1 817100709 MDSVLSBPNHAWGU-UHFFFAOYSA-N 284.334 3.635 30 20 CHED C=CC[C@H](N[C@H]1CCc2cccnc2CC1)c1ccncc1 817577127 DRABAABIAUZAFA-HKUYNNGSSA-N 293.414 3.631 30 20 CHED C[C@H](NN=Cc1ncc(C(C)(C)C)s1)c1ccncc1 819817670 DFRSTODOGYNMNH-NSHDSACASA-N 288.420 3.520 30 20 CHED C#Cc1cccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 825226540 IYHFOLPWEUQWOE-HUUCEWRRSA-N 281.321 3.879 30 20 CHED C#Cc1cccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c1 825227294 RUOJJPQQRBEWIG-SUMWQHHRSA-N 265.356 3.674 30 20 CHED COc1ccc2oc([C@@H](C)NC(=O)C#CC(C)C)c(C)c2c1 826680679 RWVWSZBSZMJZCW-CYBMUJFWSA-N 299.370 3.586 30 20 CHED COc1cc(C#N)cc(OC(=O)O[C@H](C)CC(C)C)c1 831259737 NEXJZCHCHSFIIO-LLVKDONJSA-N 277.320 3.517 30 20 CHED COc1cc(OC(=O)O[C@@H](C)CC(C)C)ccc1C#N 831293466 IUVHRBJIFWZGNY-NSHDSACASA-N 277.320 3.517 30 20 CHED C#CCCOc1ccc(C(=O)N(CC)C(CC)CC)cc1 832823365 QJQSOHKNLOFKJO-UHFFFAOYSA-N 287.403 3.739 30 20 CHED Cc1cc(Cl)ccc1C=NN[C@H](C)C(F)(F)F 834997697 IEHBYPFEEMFTIV-MRVPVSSYSA-N 264.678 3.523 30 20 CHED C=CCON=C(C)c1sc(C(C)(C)C)nc1C 835016326 UCWKQABQZDCPIN-UHFFFAOYSA-N 252.383 3.676 30 20 CHED CCc1cccnc1C(C)=NN[C@H]1CCc2c(F)cccc21 835019953 HVZVVZBQNPBEHN-KRWDZBQOSA-N 297.377 3.784 30 20 CHED C=CC(C)(C)C(=O)OCc1cccc(OC(F)F)c1 835202649 FEOJHBVUHHJDAL-UHFFFAOYSA-N 270.275 3.543 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CC12CCSCC2)C(C)(C)C 835302201 JCJHHKOEECWTAO-STQMWFEESA-N 280.433 3.501 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1coc2c1C(=O)CCC2 835335611 COHKEFSZVWLWKY-INIZCTEOSA-N 276.332 3.558 30 20 CHED CCCCCCCCC(=O)NCc1coc(CC)n1 836986299 OVGXOUYYGBLOKB-UHFFFAOYSA-N 266.385 3.604 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 839060927 ZYGNMWHKDQMBMY-VCOSZWKGSA-N 287.334 3.555 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2coc3ccccc23)C1 839061198 BOVFUNLOJCHCLP-JSGCOSHPSA-N 283.327 3.601 30 20 CHED CN(Cc1cc(Cl)ccc1OCC#N)C1CC(C)(C)C1 839193527 ZXINZLVIAYVPBS-UHFFFAOYSA-N 292.810 3.863 30 20 CHED N#CCc1cccc(C(=O)OCCC2(C#N)CCCCC2)c1 840212736 FHDMXXXDQSQRHR-UHFFFAOYSA-N 296.370 3.774 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1nc(Cl)c(C#N)s1 841224351 LSPTUHGKJSMGDP-SSDOTTSWSA-N 285.800 3.679 30 20 CHED C=CC[C@@H](OC(=O)[C@H](CC)OCC)c1ccccc1 842340499 QAOQUFPCKAJQRT-LSDHHAIUSA-N 262.349 3.662 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccnn1CC(C)C 843270270 XZYJWEUKCKRMPL-CMDGGOBGSA-N 268.360 3.744 30 20 CHED Cc1ccc(NN=C(CC(C)C)c2ccc(F)cc2)nn1 844582672 NZQOQRAMQTYZHN-UHFFFAOYSA-N 286.354 3.786 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1cc(C#N)ccc1OC 849847574 WFVGQHXVAABYGR-INIZCTEOSA-N 293.338 3.528 30 20 CHED C=CCC[C@@H](OC(=O)CCCc1cccnc1)C1CC1 850903480 DQLGPYAFBVYXJE-MRXNPFEDSA-N 273.376 3.692 30 20 CHED C=C(C)[C@H](N[C@@H]1CC[C@H](OC)C1)c1ccc(F)c(F)c1 851945288 AILRTJLWNVZNQG-WWGRRREGSA-N 281.346 3.739 30 20 CHED C#C[C@@](C)(CC)NCc1coc(-c2ccc(F)c(F)c2)n1 852099157 FUAPYXZDPRATPE-INIZCTEOSA-N 290.313 3.511 30 20 CHED C[C@@H]1CCCCN1N=C1CCC[C@@H](C(F)(F)F)C1 853380217 QMCRTEMYWUQIJY-GHMZBOCLSA-N 262.319 3.969 30 20 CHED C=C(Cl)CSCC(=O)Nc1ccc(C)c(C)c1 853782431 ATHDIUBBKDFOIO-UHFFFAOYSA-N 269.797 3.728 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1ccc(OC)cc1 853783085 OPAWJXDJFVMDIL-SNVBAGLBSA-N 285.796 3.508 30 20 CHED C#C[C@](C)(CC)NC(=O)CC(C)(C)CC(=O)c1ccccc1 854703644 ATMGYVSPIPXFFN-LJQANCHMSA-N 299.414 3.594 30 20 CHED C=CC(C)(C)CNCc1c(Cl)cncc1Cl 865589728 RHWVUTAQUSIWPR-UHFFFAOYSA-N 259.180 3.690 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1nc2c(C)cccc2s1 872419250 BGKQMKPSCWNDNV-LBPRGKRZSA-N 289.404 3.819 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(OCCCOC)c1 879101650 OOUKKFMKCDAUKM-UHFFFAOYSA-N 291.391 3.643 30 20 CHED C=C1CCC(C(=O)N[C@H](c2ccccn2)C(C)C)CC1 889073484 VANNLVKWYVIZJI-INIZCTEOSA-N 272.392 3.641 30 20 CHED C=CC(C)(C)CC(=O)Oc1cc2cnccc2cc1OC 892940136 RUMXJQVYBSCOGM-UHFFFAOYSA-N 285.343 3.751 30 20 CHED C=C1CCC(C(=O)N2CCO[C@H](c3ccccc3C)C2)CC1 896666220 DRHPEGTWGXUTOO-SFHVURJKSA-N 299.414 3.641 30 20 CHED C=C1CC(c2noc([C@H](C)OCc3ccc(F)cc3)n2)C1 896877748 UNGYCNVPCGVQFC-NSHDSACASA-N 288.322 3.920 30 20 CHED C=CCC[C@H](N[C@H]1CCCC[C@@H]1c1ccccc1)C(=O)O 901692342 LKFMYDIBUGFEBT-IKGGRYGDSA-N 287.403 3.722 30 20 CHED CC(C)CCOc1ccc(C(=O)/C=C\c2ccnn2C)cc1 913617440 ASKDMXMEOARWBM-TWGQIWQCSA-N 298.386 3.741 30 20 CHED C=CCOC(=O)[C@H](C)Sc1ccccc1Cl 917322228 IFIMIBDLXYDVHB-VIFPVBQESA-N 256.754 3.550 30 20 CHED C=CCN(C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1)C(C)C 918078413 STFJRYLVGWZEHF-JSGCOSHPSA-N 276.380 3.509 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)N(CC#N)C2CC2)cc1 920249070 KYNVTKUOSPTXSV-WDZFZDKYSA-N 282.387 3.512 30 20 CHED Cc1nc2scc(C)n2c1C=NN[C@@H](C)c1ccccc1 920381999 CIMJICXLLVCKCD-LBPRGKRZSA-N 298.415 3.697 30 20 CHED C#CCN(C(=O)N[C@H](C)c1ccccc1SC)C(C)C 922358456 BOMJBBBVNQILJJ-CYBMUJFWSA-N 290.432 3.523 30 20 CHED N#CC1(c2nc(-c3cc(Cl)ccc3Cl)no2)CCC1 924174708 AMVAWIIDCLGGNQ-UHFFFAOYSA-N 294.141 3.989 30 20 CHED N#C[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 932147132 ADHHYAWYDTZGSR-ZDUSSCGKSA-N 283.400 3.546 30 20 CHED CC1(CCC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 933857493 LNOMFRJLZPERQJ-SJORKVTESA-N 296.414 3.865 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cccc(Cl)c1F 1116913194 RTXUWQCMNJMWPZ-NSHDSACASA-N 284.762 3.633 30 20 CHED C=C(C)CCC(=O)Nc1cc(NC(=O)CC)ccc1Cl 1120593002 UIHABQZAHOLYCW-UHFFFAOYSA-N 294.782 3.983 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)c1cccc(F)n1 1122631968 MIZVRVHVVHBWJD-ZFWWWQNUSA-N 296.345 3.899 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C[C@@H](C)CC(C)(C)C 1263616744 HBVSLGCBJQNTGP-CHWSQXEVSA-N 275.396 3.542 30 20 CHED Cc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C)cc1C#N 1275030306 SBVDPTJCDLUYJG-GUYCJALGSA-N 270.376 3.565 30 20 CHED CC1(C)[C@@H](CNc2ncccc2C#N)[C@@H]1c1ccccc1 1307138439 NNTPNNAVTPMCDF-HOTGVXAUSA-N 277.371 3.805 30 20 CHED CC(C)[C@H]1CN(Cc2ccc(C#N)cc2F)[C@@H]1C(C)C 1308763497 RUQXAHOEPKYRMN-NVXWUHKLSA-N 274.383 3.810 30 20 CHED CC[C@@H](NCc1cccc(F)c1C#N)[C@H]1CC1(C)C 1308825258 XGBDTKYVRWHJNJ-UKRRQHHQSA-N 260.356 3.612 30 20 CHED CC(Cc1ccccc1Cl)=NNc1ccc(Cl)nn1 1318751811 SXTMMCWLVJPBFX-UHFFFAOYSA-N 295.173 3.814 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3c(Cl)cccc32)nc1 1322766262 LHMWWQDCFZVAJJ-KRWDZBQOSA-N 297.789 3.774 30 20 CHED N#CCc1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 1324085433 PHSHWMHDBXWXDB-IIAWOOMASA-N 269.392 3.918 30 20 CHED CC(C)(NC(=O)NCc1cccc(C#N)c1)C1CCCCC1 1326671641 ILAWJSVJORMDLK-UHFFFAOYSA-N 299.418 3.716 30 20 CHED N#Cc1ccc(-c2nnc([C@H]3CCC(F)(F)C3)o2)cc1 1327352703 GRKIUYPBHMNYBC-NSHDSACASA-N 275.258 3.511 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCSc1ccccn1 1337550619 KQNRVHDBZZBVEG-AWEZNQCLSA-N 290.432 3.521 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc(Cl)ccc1OCC 1338114328 YZBCIRAQEFFGKT-AAEUAGOBSA-N 283.799 3.590 30 20 CHED CC[C@@H](C)n1nccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1338746617 KKEBFPFALGFYDB-OLZOCXBDSA-N 297.358 3.644 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@H](C)Cc1ccccc1Cl 1339067927 RJOQJTKJCLEXGF-TZMCWYRMSA-N 292.810 3.669 30 20 CHED C#CC[C@H](CC)c1nnc(N(C)[C@@H](C)c2ccccc2)n1C 1339445620 KGZKVZRJOJKVOV-GJZGRUSLSA-N 296.418 3.529 30 20 CHED Cc1ccc([C@@H](C)c2nnc(-c3ccc(C#N)cc3)o2)o1 1346601337 OGPINQUEUCZXSF-LLVKDONJSA-N 279.299 3.662 30 20 CHED C=C(CC)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 1350842809 RLZULFMAAGULGM-UHFFFAOYSA-N 280.371 3.750 30 20 CHED Cc1cc(Oc2cccc3c2OC(C)(C)C3)ncc1C#N 1458063419 VVPYXROHNAIQHM-UHFFFAOYSA-N 280.327 3.768 30 20 CHED N#Cc1cccc(Br)c1N[C@H]1CC12CCC2 1458576681 CCTMXNXBPZMPBR-NSHDSACASA-N 277.165 3.675 30 20 CHED CCc1ccc2occ(C(=O)Nc3cccc(C#N)n3)c2c1 1461149104 IKEYAEWBYPVMPS-UHFFFAOYSA-N 291.310 3.514 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)Nc1sccc1C#N 1476828301 JYXOTNRHEPCGFD-CQSZACIVSA-N 299.399 3.763 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)cc2C#N)c1 1524844948 KCLBTHRGXRRELD-JKSUJKDBSA-N 294.329 3.748 30 20 CHED Cc1ccc(C(=O)N[C@H](C)c2cccc(C)c2C)cc1C#N 1530854381 UUDVVUNCYPANKN-OAHLLOKOSA-N 292.382 3.975 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC1CCC(C)(C)CC1 1536223037 JYHPSVJVESTNLF-UHFFFAOYSA-N 284.403 3.813 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N(C)C1CCC(C)CC1 1539805975 WILRWJGAGJCXHS-UHFFFAOYSA-N 296.846 3.608 30 20 CHED N#Cc1ccc(COc2ccc(Cl)cc2F)s1 1559336717 DDYKDBKCZVWOGJ-UHFFFAOYSA-N 267.712 3.991 30 20 CHED C[C@@H]1CN(CC2(CC#N)CC2)CC[C@@H]1c1ccccc1 1559565712 QLXRKWNOPYPLMN-WBVHZDCISA-N 268.404 3.806 30 20 CHED CN(Cc1ccc(C(C)(C)C)cc1)c1ccnc(C#N)c1 1611721110 GDSGBWIYXBIWHV-UHFFFAOYSA-N 279.387 3.887 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)c1nc(C#N)c(Cl)s1 1611775992 ZNVKQSANEKNNOJ-PSASIEDQSA-N 269.801 3.683 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2Cc1ccc(F)cc1C#N 1653538493 APPCZTRJXCTQIJ-CYBMUJFWSA-N 296.345 3.793 30 20 CHED C=C(Br)CN1CCCc2c(C)ccc(F)c21 1657660977 JWLXGQHGEDXYTL-UHFFFAOYSA-N 284.172 3.795 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]32)cc1C#N 1659414568 KINGPSCFTHHQKM-HZUKXOBISA-N 299.374 3.727 30 20 CHED C[C@@H](NC(=O)NC[C@H]1CCCC1(C)C)c1ccc(C#N)cc1 1676107687 BHWYOODJPPUQIM-CZUORRHYSA-N 299.418 3.745 30 20 CHED Cc1csc(NC(=O)NC2C[C@@H](C)C[C@H](C)C2)c1C#N 1677351376 IOUMRXMJRKWYNM-UWVGGRQHSA-N 291.420 3.874 30 20 CHED O=C(O)c1ccccc1NN=C1CC[C@H](C(F)(F)F)C1 1776031887 BVOCDZVQDLKRIP-QMMMGPOBSA-N 286.253 3.515 30 20 CHED O=C(O)c1cccc(NN=C2CC[C@H](C(F)(F)F)C2)c1 1776038491 MLERMORPCKJLHV-VIFPVBQESA-N 286.253 3.515 30 20 CHED Cc1c(NN=Cc2cscc2Cl)cccc1C(=O)O 1776087542 IOFGVDUVNPFAPK-UHFFFAOYSA-N 294.763 3.854 30 20 CHED CCCCCCCCCN(C)c1ccncc1C(=O)O 1776785409 WMOTTWQZOPEODV-UHFFFAOYSA-N 278.396 3.967 30 20 CHED CSc1ccc(NC(=O)c2sccc2C#N)cc1 52029276 SPMWLLLXPLUSPU-UHFFFAOYSA-N 274.370 3.594 30 20 CHED C=CC[C@H](C)NC(=O)c1c(Cl)c2ccccc2n1C 116859456 YVELZWCZHNUTAU-JTQLQIEISA-N 276.767 3.526 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1 117439150 RBHZKIJAKJOSMR-AWEZNQCLSA-N 285.391 3.797 30 20 CHED C/C(=C/C(=O)NC1(C#N)CCC1)C12CC3CC(CC(C3)C1)C2 109901843 KAEKMPKEIKZQSJ-ACAGNQJTSA-N 298.430 3.712 30 20 CHED C=CCn1c(SCC2CCC2)nnc1-c1ccoc1C 172903885 QNTSAZXJMIGASC-UHFFFAOYSA-N 289.404 3.925 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2ccc(C#N)cc2)c1C 115286596 OAKDUCMTLFBFSX-CQSZACIVSA-N 278.355 3.666 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)Cc1ccc(C#N)cc1)C1CC1 171575488 NFMIXHLOVZNIPT-KGLIPLIRSA-N 284.403 3.526 30 20 CHED C[C@@H]1CCCN(c2cc(Br)c(C#N)cc2F)C1 310419271 NWTYLEPEXLFOPN-SECBINFHSA-N 297.171 3.696 30 20 CHED C[C@H](NCC1=Cc2ccccc2OC1)c1ccc(C#N)cc1 102424764 QLRLOVYOJBVTGB-AWEZNQCLSA-N 290.366 3.685 30 20 CHED N#CCCCOc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 55569458 CBQSMLLTTMBVFZ-CQSZACIVSA-N 284.359 3.664 30 20 CHED COc1ccc(-c2n[nH]cc2/C=C/C(=O)c2ccco2)cc1 118957809 RUILLSBGENJUTE-RMKNXTFCSA-N 294.310 3.574 30 20 CHED C#CCCCCC(=O)NCC1(c2ccc(Cl)cc2)CC1 119789853 VNRQFSNHWSPLIG-UHFFFAOYSA-N 289.806 3.681 30 20 CHED Cc1cc([C@H](C)NC(=O)Nc2cccc(C#N)c2C)c(C)o1 178578475 ZFDGKDPNQPGOAE-LBPRGKRZSA-N 297.358 3.959 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 176865575 CZVMYXZKAOZKDG-ZOBUZTSGSA-N 286.419 3.786 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2ccc(F)cc2F)c1C 131154718 SZQUZTQKLICMGV-SOFGYWHQSA-N 290.313 3.694 30 20 CHED C1CCC(/N=C2\NN=C(C3CCCCC3)CS2)CC1 22690958 HOICTBPQZOWEIP-UHFFFAOYSA-N 279.453 3.948 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(CCC#N)C(C)C)cc1 68126379 QFFCXJFIZKHFPK-CQSZACIVSA-N 272.392 3.503 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccccc2Cl)C1 116810520 FLKSQBRNGRJNQX-IAQYHMDHSA-N 276.767 3.542 30 20 CHED CS[C@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 66800632 LSJGPPXAZOQPLI-WDEREUQCSA-N 294.445 3.771 30 20 CHED C=CCCCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 178995598 SITXDUXFYHSYTP-UHFFFAOYSA-N 297.383 3.977 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1Nc1snc(Cl)c1C#N 302367933 CDWGEDFSLQWFQB-QWRGUYRKSA-N 299.827 3.674 30 20 CHED COCCN(Cc1ccc(C#N)cc1)CC1CCCCC1 63754158 UJGRGGNXKMWRLF-UHFFFAOYSA-N 286.419 3.587 30 20 CHED N#Cc1cccc(NCCCc2cccc(Cl)c2)n1 301253287 CEDLRUWMLILVBN-UHFFFAOYSA-N 271.751 3.651 30 20 CHED N#Cc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)s1 176411635 HUPRRWFRRCRFGV-UXBLZVDNSA-N 269.300 3.581 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 119565630 RYCQDHWUWPDWKE-HNNXBMFYSA-N 287.403 3.845 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2cccnc12 176892307 QTPLLXWNUKMZAB-UHFFFAOYSA-N 266.344 3.942 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1Nc1ncccc1C#N 80231371 RXWUGYXRVPHTLC-BZNIZROVSA-N 281.334 3.828 30 20 CHED C=CC1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 111259045 PHBCWSLCSWLHKU-UHFFFAOYSA-N 286.350 3.879 30 20 CHED CCCC[C@@H](Nc1ccc(C#N)nn1)c1ccc(OC)cc1 302001896 QSLZSCLORFSNID-MRXNPFEDSA-N 296.374 3.700 30 20 CHED OC[C@@H]1CCC[C@H](C/N=C(/O)[C@@H]2CCCC(F)(F)C2)C1 328584538 ISLYNKDZEAAVCT-YNEHKIRRSA-N 289.366 3.567 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](C)CC(F)F)CCCC1(C)C 412294263 QXKOBLWCFJONDG-VXGBXAGGSA-N 273.367 3.871 30 20 CHED N#Cc1ccsc1NC(=O)CCc1ccc(Cl)cc1 24692526 BZFGQSYEAVZPCN-UHFFFAOYSA-N 290.775 3.844 30 20 CHED C=C(C)CNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 409958900 SYLMXDBZBCBGKA-SNVBAGLBSA-N 271.282 3.501 30 20 CHED C=CCOCCOc1ccc(-c2csc(C)n2)cc1 418868434 PQHIDGZCIFEUPN-UHFFFAOYSA-N 275.373 3.700 30 20 CHED Cc1ccc(O)c([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 36991948 QABSILZTXCHSQM-KGLIPLIRSA-N 280.371 3.984 30 20 CHED C[C@@]1(c2ccccc2)CCCN(c2cccc(C#N)n2)C1 301279821 NRLJLPFSSPOFOG-GOSISDBHSA-N 277.371 3.511 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1 183714068 ZHLJWWOKKBTCDM-GJZGRUSLSA-N 295.386 3.565 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H](C)C1CCSCC1 187533611 ANXNVAMSSQFMQP-CHWSQXEVSA-N 290.432 3.921 30 20 CHED C=CC[C@H](C(=O)O[C@@H]1CCc2cccnc21)c1ccccc1 189313064 QTUFGHHWPAJBMZ-DLBZAZTESA-N 293.366 3.972 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1nc2ccccc2s1 189473350 YQYTUYGNBCXKCV-HNNXBMFYSA-N 275.373 3.942 30 20 CHED C=CCCCCCN(C)c1ccc(C(F)(F)F)nn1 502351800 FGAYHJQPBRSDGS-UHFFFAOYSA-N 273.302 3.678 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1CC=CCC1)c1ccccc1 188134284 HROUDMLSRVYPIX-SJORKVTESA-N 269.388 3.961 30 20 CHED C=CCOc1cccc(NC(=O)c2cc[nH]c2C(C)C)c1 506766665 KRKCHBKWKHRKBM-UHFFFAOYSA-N 284.359 3.955 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)CC1 443153358 CQPALFWQVVTDCG-TZMCWYRMSA-N 271.364 3.649 30 20 CHED CC[C@@H](C#N)Sc1ncc(C(C)C)n1C(C)C 127752340 RTQBRWUMOUXBBW-NSHDSACASA-N 251.399 3.982 30 20 CHED C=CCn1c(SCCCC)nnc1-c1ccco1 71824200 HGTZPPZUNDUWFR-UHFFFAOYSA-N 263.366 3.616 30 20 CHED CCc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)n1 185466349 NVDXNMPLXZEAMY-UHFFFAOYSA-N 299.761 3.730 30 20 CHED CN(C(=O)C1CCC(C)(C)CC1)c1cccc(C#N)c1 159332670 OEMDSIQMKLGLLU-UHFFFAOYSA-N 270.376 3.737 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCN[C@@H](C)C1 414682813 RZOLPNGUWHMNCU-STQMWFEESA-N 298.883 3.778 30 20 CHED C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 317173246 FXYDNEPLHSQYJU-NSHDSACASA-N 292.298 3.511 30 20 CHED N#Cc1ccc(NCCc2cccc3cccnc23)c(F)c1 317259491 FPTLIGOMNBRNSS-UHFFFAOYSA-N 291.329 3.900 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CC)C1 508498716 UROGNKGFJUYRNR-CQSZACIVSA-N 290.455 3.679 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(Cl)cc1 500103344 JDSZHOHPNPXHNG-LLVKDONJSA-N 252.745 3.816 30 20 CHED C=CCSCCNC(=O)N1CCC[C@@H]1CCC(C)C 509172520 YLHAIBKKYYDWPZ-CQSZACIVSA-N 284.469 3.516 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)CCC 412838315 JXDOLBOOYBAZPH-GDBMZVCRSA-N 259.393 3.726 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1cc(C)cc(C)c1 185499354 XOUZWSPXKHJAOT-OAHLLOKOSA-N 257.377 3.674 30 20 CHED Cc1cnc(NCC(C)(C)CC#N)nc1-c1ccccc1F 413401452 DVMKBQKPJZUPAR-UHFFFAOYSA-N 298.365 3.943 30 20 CHED C=C(C)CCc1noc([C@H]2C[C@]23CCc2ccccc23)n1 508688776 XWQKQLPFGQHXLN-QAPCUYQASA-N 280.371 3.950 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)cc1OCC 187834193 FUZWFESLTKNSHS-HNNXBMFYSA-N 265.328 3.765 30 20 CHED Cc1occc1CN(C)c1nc2ccccc2cc1C#N 71389843 AVOHTIUDNRRCLX-UHFFFAOYSA-N 277.327 3.644 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2ccc(Cl)cc2C1 188552749 GUNRWPGYQIGGCJ-INIZCTEOSA-N 277.795 3.827 30 20 CHED C=C(C)CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 505445291 XBDCLCRZCAPIHB-UHFFFAOYSA-N 284.142 3.556 30 20 CHED N#Cc1nnc2ccccc2c1Oc1ccc(F)cc1F 77187528 NNBMPTXXAGXLMH-UHFFFAOYSA-N 283.237 3.572 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416109500 QXRGEXZTJLQUBV-SFHVURJKSA-N 294.398 3.820 30 20 CHED CCCCCCC[S@@](=O)Cc1csc(CC)n1 133016491 SWEKBNLRYMVSSF-KRWDZBQOSA-N 273.467 3.925 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cc(Br)ccc1O 134931742 UHKZXDHRMVBJCX-UWVGGRQHSA-N 284.197 3.770 30 20 CHED C[C@]1(/C(O)=N/[C@@H]2CSc3ccccc32)CCC(O)=NC1 328671070 NDFKFXNHRVKOQR-ABAIWWIYSA-N 290.388 3.547 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@H](C)[C@H]1c1ccccc1 528704001 NGZFWEKZKXXJLL-ZFWWWQNUSA-N 270.376 3.536 30 20 CHED Cc1oc(C(C)C)nc1/C(O)=N/C[C@@H]1CCCCS1 329092000 JUKHXFIHLJWDOM-NSHDSACASA-N 282.409 3.697 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)[C@@H]1C 416736193 OXFQROYDSRSSII-MXWKQRLJSA-N 291.782 3.720 30 20 CHED Cc1noc(C)c1C(C)(C)/N=C(/O)[C@H]1CCCSC1 329768287 GLNXZJGWQBSNSM-NSHDSACASA-N 282.409 3.626 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1cnns1 192332725 OMPFZCLVLCFJMD-UHFFFAOYSA-N 284.429 3.752 30 20 CHED CC1(C)CCC(C(=O)Nc2sccc2C#N)CC1 160193812 NIMTVWFJZFRTKY-UHFFFAOYSA-N 262.378 3.775 30 20 CHED O/C(C[C@H]1C[C@H]2CC[C@H]1C2)=N/CCc1cnc(C2CC2)nc1 328806917 IDNQRZODYBBJLW-VBNZEHGJSA-N 299.418 3.679 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc[nH]1 614402898 OTEYVQVOQSQIHO-QGZVFWFLSA-N 265.360 3.532 30 20 CHED Cc1nc(C)c(C/N=C(/O)C[C@@H]2CCc3ccccc3C2)o1 329350061 WRLHDNBYYACRJM-CQSZACIVSA-N 298.386 3.943 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(NC(=O)CC)cc1 134952909 ZBMUSLNTKDVNEI-INIZCTEOSA-N 274.364 3.576 30 20 CHED CC(C)CC1(C/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)CC1 328906730 KZHAQLKWRLVVRO-RYUDHWBXSA-N 266.385 3.524 30 20 CHED Cc1ncoc1/C(O)=N/[C@@H]1CCCCC12CCCC2 329631644 ROLMUURCTDHPPN-GFCCVEGCSA-N 262.353 3.791 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCc2c(C)cccc21 131123068 AVORZLHMEWDKNF-KRWDZBQOSA-N 269.388 3.867 30 20 CHED Cc1cccc(C2(C(=O)N[C@@H](C)CC#N)CCCCC2)c1 194636842 QPWFNUIYJLPGQD-HNNXBMFYSA-N 284.403 3.615 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(OC)cc2)o1 83982127 AOKJQSKZPAPPJK-UXBLZVDNSA-N 256.301 3.747 30 20 CHED C=CCCOCCNCCCc1c(F)cccc1Cl 518475542 OJYNPXVGWQISOM-UHFFFAOYSA-N 285.790 3.594 30 20 CHED CCCCCCC[C@@H](C)NCc1cnn(C)c1C 136714596 BSFDRLADPUUOII-CYBMUJFWSA-N 251.418 3.567 30 20 CHED CC[C@H](CC(F)(F)F)NCc1ccc(C#N)c(F)c1 421339888 HUAFAUVGQLAPPT-LLVKDONJSA-N 274.261 3.518 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)ncc1Cl 293890141 YOKWPZGTCFXGHW-UHFFFAOYSA-N 287.190 3.721 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1ncc(C#N)cc1Cl 427915147 NGAYAUALPFWECJ-LLVKDONJSA-N 293.798 3.553 30 20 CHED OC(=Nc1ccc(C2CCC2)cn1)[C@@H]1CCCCO1 329308160 PZWZZPQYFYYCAV-ZDUSSCGKSA-N 260.337 3.506 30 20 CHED CC1(C)C[C@@H](/N=C(/O)c2cccnc2C2CC2)C(C)(C)O1 329617700 DTMZAHSSDQLTLM-CYBMUJFWSA-N 288.391 3.610 30 20 CHED C[C@@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[C@H](C#N)C1 424330429 QOLVMNANRIHSOS-SGMGOOAPSA-N 296.336 3.918 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCCC(F)(F)C1 425252259 AQGAEHKLRVOAGF-SNVBAGLBSA-N 295.289 3.704 30 20 CHED C=C(C)CN(CC)C(=O)c1cnn([C@H](C)CC)c1C1CC1 89751160 IZHYBHGEUMPVMO-CYBMUJFWSA-N 289.423 3.770 30 20 CHED C=C(C)CCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 510799891 UWTNJYMWQHQZQJ-LSDHHAIUSA-N 283.774 3.865 30 20 CHED N#CCC1CCN(C(=O)Nc2cc(Cl)ccc2F)CC1 336422847 APJNBMBDNUQLEX-UHFFFAOYSA-N 295.745 3.637 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)c1ccc(F)c(F)c1)OCC 339420692 WREQUAWKQVSTFW-HNNXBMFYSA-N 297.345 3.689 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)CC(C)(C)C1 334981074 CPWQPYHWYRVDLE-ZDUSSCGKSA-N 285.391 3.653 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(C)s2)no1 426615250 JTGWYHUWHMCLOZ-UHFFFAOYSA-N 262.378 3.884 30 20 CHED C[C@H]1CCCCN1Cc1cc(C#N)ccc1Br 191773820 OLEMUVDLWDTPFY-NSHDSACASA-N 293.208 3.695 30 20 CHED N=C(O)C1CCC(/N=C(/O)C[C@H]2C=CCCC2)CC1 330217789 OCKINPSJPCUDRX-HIFPTAJRSA-N 264.369 3.783 30 20 CHED CN(Cc1ccc(F)c(Cl)c1)C(=O)C1(C#N)CCCC1 335679472 RNUIGRNQZMZVMG-UHFFFAOYSA-N 294.757 3.521 30 20 CHED C=CCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 338548204 GNXLPDRFWFHKHI-ZDUSSCGKSA-N 276.449 3.777 30 20 CHED C#CCCCC(=O)N(C)[C@H](c1ccccc1)C(C)C 192309028 JUEVVRFFDSXGON-KRWDZBQOSA-N 257.377 3.646 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NC2CCCC2)cc1 193058121 LPNDFLOVJASOJL-UHFFFAOYSA-N 271.364 3.552 30 20 CHED COc1cc(Cl)c(CN(C)[C@@H](C)CC#N)cc1Cl 93091201 BGANDLCOKBZZEU-VIFPVBQESA-N 287.190 3.736 30 20 CHED C=CCC(C)(C)C(=O)NCCCSc1ccccc1 429923469 KZCHVGKJNPBAPL-UHFFFAOYSA-N 277.433 3.887 30 20 CHED C#CCCCCN[C@@H]1CCSc2ccc(F)cc21 90399255 RPDFZSWYDRPBNA-CQSZACIVSA-N 263.381 3.756 30 20 CHED CC(C)c1ccoc1-c1noc(C2(C#N)CCCC2)n1 336107075 ZUCISNOWFZJZIR-UHFFFAOYSA-N 271.320 3.788 30 20 CHED COc1cc(CNc2ncc(C#N)cc2Cl)ccc1C 339133106 MPHQTZJHVLZUCU-UHFFFAOYSA-N 287.750 3.536 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccc2ccn(C)c2c1 337885751 XQVVLCGFRDFSFY-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C=CCCCNC(=O)N[C@H](CC(F)F)c1ccccc1 420832888 FAWNTDLPWJKVHX-CYBMUJFWSA-N 282.334 3.648 30 20 CHED C=CCC[C@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl 426778891 BPPHMBUSEXTEEO-PWSUYJOCSA-N 288.218 3.971 30 20 CHED CC[C@@H](C)[C@@H](C)N(Cc1ccccc1C#N)C1CC1 513446675 HRNZYJXKNYRQDF-ZIAGYGMSSA-N 256.393 3.957 30 20 CHED CCCOc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1 96618011 HGBJTLZOHVNKSD-UHFFFAOYSA-N 294.354 3.908 30 20 CHED Cc1c(NC(=O)[C@@]2(C#N)C[C@H]2C)cccc1C(F)(F)F 336191794 KXAUJPWWFNIRKN-AMIZOPFISA-N 282.265 3.502 30 20 CHED C[C@H](N(C)Cc1ccc(C#N)cc1OC(F)F)C1(C)CC1 437517305 JWEKZNVFDAXJMB-NSHDSACASA-N 294.345 3.780 30 20 CHED CCCOc1ccc(CN(C)[C@H](C)CC#N)cc1OCC 93090811 WVWOAOVWTUPFOU-CQSZACIVSA-N 290.407 3.608 30 20 CHED CCC(CC)[C@H](C)C(=O)N1CCCC(C)(C)[C@@H]1C#N 434037230 PDNNQAZGPGUKAA-JSGCOSHPSA-N 264.413 3.599 30 20 CHED C[C@H]1OCC[C@@H]1SCc1ccc(C#N)cc1OC(F)F 339072941 GUZJTDNTMNJQDW-RNCFNFMXSA-N 299.342 3.570 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccccc1F 97053756 IHUUTYHWWKNMDC-GFCCVEGCSA-N 281.396 3.731 30 20 CHED CC(C)(C)C(=O)C/N=C(/O)c1coc(C2CCCCC2)n1 331140152 WXZHLROGOWUQKC-UHFFFAOYSA-N 292.379 3.642 30 20 CHED N#Cc1ccnc(NCCNc2cccc3ccccc23)c1 341346209 OMUFEDKPTBYYOE-UHFFFAOYSA-N 288.354 3.630 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccc(C)cc1O 436539233 LGKZQLWYUUUKEY-UHFFFAOYSA-N 295.382 3.572 30 20 CHED Cc1c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)ccn1C(C)C 340427948 GTPYIGBNCHUJIL-CXAGYDPISA-N 287.407 3.580 30 20 CHED CCCN(Cc1ccc(F)cc1)c1ccc(C#N)cn1 346568880 IDVGFWFNDNTEKX-UHFFFAOYSA-N 269.323 3.509 30 20 CHED Cc1ccc([C@]2(C)CCN(c3nccc(C)c3C#N)C2)cc1 432929112 VWUVAMUWYYSITN-LJQANCHMSA-N 291.398 3.738 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(CC)nc1 347657933 VHSGQIHJMSLKLE-UHFFFAOYSA-N 266.388 3.832 30 20 CHED C[C@@H](CCC1CC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 345956795 WDKNAYSKMZYDME-YOEHRIQHSA-N 299.418 3.909 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H](C)CC2CCCC2)C1 247061932 PFAZCDYZMMMUSP-CPUCHLNUSA-N 276.424 3.791 30 20 CHED CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(Cl)ccc1C#N 246210958 YKMWKZIJHMSOHZ-COPLHBTASA-N 288.778 3.611 30 20 CHED Fc1ccc(C#CCNc2cc(F)c(F)c(F)c2)cc1 433507490 BVMUNUWNQRSILP-UHFFFAOYSA-N 279.236 3.707 30 20 CHED C=CC1CCN(C(=O)c2cc3occc3s2)CC1 605464620 NLGGTURDLSQKEH-UHFFFAOYSA-N 261.346 3.533 30 20 CHED C[C@H](CCC#N)CNCCCSc1ccc(F)cc1 602498329 IEHKCFPCVVJEGX-CYBMUJFWSA-N 280.412 3.837 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2ccc(C#N)cc2Cl)C1 541960918 XZQOYRPCACBDRZ-NSHDSACASA-N 276.767 3.976 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)Nc1cccc2cc[nH]c12 602613998 CPZGOGROVSNEFJ-ZDUSSCGKSA-N 283.375 3.679 30 20 CHED COCC[C@@H](C)SCc1ccc(C#N)cc1Cl 438878813 YERANXJPSYCWPD-SNVBAGLBSA-N 269.797 3.870 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CCC#N)c(Cl)c1 345903981 JOHVSYCMEIWKOZ-UHFFFAOYSA-N 278.783 3.708 30 20 CHED CC[C@@H](Nc1cc(C#N)ccn1)c1cc(F)ccc1F 342363441 ABIHVKATNSGYGY-CQSZACIVSA-N 273.286 3.795 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(-c2nc(C)no2)ccc1C 526943098 PEIURQPQTOPJLD-KRWDZBQOSA-N 299.374 3.894 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 342364399 SLMJQOURAQHYJA-HTVCTNPSSA-N 273.376 3.587 30 20 CHED CC1(C)CCCN(Cc2cccnc2C(F)(F)F)[C@@H]1C#N 528473342 FNURCDOSNKLMNY-GFCCVEGCSA-N 297.324 3.615 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(CN2CCCCC2)c1 448699479 ITCWVKJDHGVLCB-UHFFFAOYSA-N 286.419 3.823 30 20 CHED N#CC1(CSCc2cc(-c3ccccc3)on2)CC1 344487799 VRWKVYXUSUECCW-UHFFFAOYSA-N 270.357 3.879 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCC 342552969 VMMZMBMLZBBLGX-UHFFFAOYSA-N 277.412 3.559 30 20 CHED C=CCOCCCC(=O)Nc1c(C)cc(C)cc1Cl 608554082 IIWMOMBNUGOURA-UHFFFAOYSA-N 281.783 3.878 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 603662361 UDQWTQXLPXOXHS-ZTFGCOKTSA-N 268.404 3.959 30 20 CHED COc1ccc(C2(NC[C@H](C)CCC#N)CCCC2)cc1 602544372 ALLJDLNJKXEZIG-OAHLLOKOSA-N 286.419 3.994 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccsc2)cc1 254975276 PZYDDRYNCCOGPU-SREVYHEPSA-N 258.342 3.791 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1 355394743 TXPLENLMHCLYIA-UHFFFAOYSA-N 285.734 3.506 30 20 CHED Cc1ccccc1CCC(=O)N(C)c1ccc(C#N)cc1F 609217025 RZMRGMQPJQUMIG-UHFFFAOYSA-N 296.345 3.601 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2cccc(C#N)n2)C1 602477644 KSVXVTUJURIVAM-HZPDHXFCSA-N 291.398 3.640 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1C 609431670 SUVWHHVADVJPBA-IJLUTSLNSA-N 274.389 3.675 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)CCc1c[nH]c2ccccc12 602609262 AOPWMYVMYHRXJF-ZFWWWQNUSA-N 269.392 3.771 30 20 CHED Cc1ccc2c(c1)[C@H](NC[C@H](C)CCC#N)CCC2 602673281 QLQUOLHKGZRPOJ-RHSMWYFYSA-N 256.393 3.902 30 20 CHED CC[C@@H]1CCCN1Cc1cccc(OCCCC#N)c1 352647132 XUIWWTJWLRTQOR-MRXNPFEDSA-N 272.392 3.744 30 20 CHED C[C@H](N(C)Cc1ccc(Cl)cc1C#N)C1(C)CC1 359897231 JDPHKHUORBTIRP-NSHDSACASA-N 262.784 3.832 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 611115194 SWACBHISJVUUDN-CAOSSQGBSA-N 276.424 3.647 30 20 CHED Cc1cn(Cc2ccccc2C(F)(F)F)cc1C#N 531578257 WYDGQVXRXDMJBF-UHFFFAOYSA-N 264.250 3.735 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1cc(C)ccc1C 537238014 MHXSBNYBZYCEJI-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1 617777331 MMXDAPACAGYUCG-MRXNPFEDSA-N 289.394 3.963 30 20 CHED C=C[C@](C)(O)CC(=O)N[C@H](CC(C)(C)C)c1ccccc1 352775620 LSNCZSRSKQVEPE-QAPCUYQASA-N 289.419 3.607 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 355658637 RABZDMWHNKSZPW-OGHNNQOOSA-N 288.366 3.518 30 20 CHED C=CCC1(CNC(=O)CCCC(F)(F)F)CCCC1 456491572 ZTVUROJJNXMHLO-UHFFFAOYSA-N 277.330 3.972 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)c1cccc2ccccc12 448582915 QCYYVEYEZQNJJX-LXIYXOSZSA-N 278.355 3.567 30 20 CHED N#Cc1ccc(CNCc2cnc3ccccc3c2)c(F)c1 357291189 DNNPNDJUXMAQER-UHFFFAOYSA-N 291.329 3.535 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1cccc(CSC)c1 350463390 UWWXRQPDLLPVMP-HNNXBMFYSA-N 292.448 3.704 30 20 CHED Cc1c(C#N)cccc1NC[C@@H]1CCOc2ccccc21 611530535 OMJUDSRUOPLUDH-HNNXBMFYSA-N 278.355 3.845 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(F)F 454442096 KIUIGHHAZMYDFW-LBPRGKRZSA-N 295.333 3.653 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CCSc2c(Cl)cccc21 453361678 OXQXXMWIBJPLAU-MJBXVCDLSA-N 295.835 3.810 30 20 CHED CC(C)(CCC#N)CN1CCCO[C@@H](c2ccccc2)C1 611268293 NTJVGGLJJYLZII-QGZVFWFLSA-N 286.419 3.780 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc2ccccc2[nH]1 264090583 SBMAKLRNQNLAGG-UHFFFAOYSA-N 283.375 3.570 30 20 CHED COc1ccc(C)cc1CN[C@@H](C)c1cccc(C#N)c1 610344603 AFENKFNABIQYNU-AWEZNQCLSA-N 280.371 3.726 30 20 CHED COc1ncc(CSc2ccc(C#N)cc2)cc1Cl 611029716 ORCTXUAYISLVPQ-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C[C@H](SCc1ccccc1C#N)C(=O)OC(C)(C)C 530527220 IMGWUSZPIGCYDV-NSHDSACASA-N 277.389 3.522 30 20 CHED C=CC(C)(C)C(=O)N[C@H](CC)CSc1ccccc1 450338720 YWNBRTDHWRVAGQ-CYBMUJFWSA-N 277.433 3.886 30 20 CHED C=C[C@H](SCc1cccc2ccccc12)C(=O)OC 619689081 LMYCUPJLVRWRBC-HNNXBMFYSA-N 272.369 3.801 30 20 CHED C=C(CC)CNC(=O)Nc1cnn(C(CC)CC)c1CC 455271585 HQUATBCMZIXTIX-UHFFFAOYSA-N 292.427 3.894 30 20 CHED C[C@H](NC[C@@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 453309923 FDWMLDBALSDTSZ-GOEBONIOSA-N 284.403 3.558 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC/C=C/c1ccccc1 618743188 ZNXPIXMXBSDRDA-QTWIXLPOSA-N 274.367 3.849 30 20 CHED COc1ccc(C(=O)NCC(C)(C)CC#N)c2ccccc12 457992865 UXKLEEDLIYBNQX-UHFFFAOYSA-N 296.370 3.518 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC1CC1)C1CCC1 458814433 USXNXNCRPQZSNZ-UHFFFAOYSA-N 264.413 3.563 30 20 CHED C#CC[C@H](N[C@@H](C)c1nccs1)c1ccccc1 271538692 QOKVRYHSOWYBSX-JSGCOSHPSA-N 256.374 3.558 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 365601506 KTMFVWHOZNNLBR-BEFAXECRSA-N 299.414 3.585 30 20 CHED Cc1ccccc1-c1csc(NC(=O)CC(C)(C)C#N)n1 278646976 ZVTSQLISVHVKJZ-UHFFFAOYSA-N 299.399 3.997 30 20 CHED Cc1ccc(Oc2ccc(NC(=O)CCCC#N)cn2)cc1 360150171 LEGOWHCSOLCZTK-UHFFFAOYSA-N 295.342 3.815 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F 629270560 DSRQMILZJUUCOT-GXTWGEPZSA-N 279.330 3.539 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 458984903 HDXJPFQLWVDGDJ-UHFFFAOYSA-N 299.418 3.690 30 20 CHED CN(Cc1cccc(C#N)c1)C[C@@H]1C[C@H]1c1ccccc1 459305051 PVPRVDGTYLRVSC-OALUTQOASA-N 276.383 3.794 30 20 CHED C=CCCC(=O)Nc1cc(-c2ccco2)nn1C(C)C 279118606 TZEOESVFFBMGPS-UHFFFAOYSA-N 273.336 3.629 30 20 CHED N#Cc1nnc2ccccc2c1N[C@@H]1C[C@H]1C1CCCCC1 462894780 IXGDYNGKIKGRNC-GOEBONIOSA-N 292.386 3.882 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 462041817 XNZXXBQSQQCNOI-QILLFSRXSA-N 298.430 3.993 30 20 CHED CC#CCCCC(=O)N(Cc1cccc(F)c1)C(C)C 274284689 LODOJAZIFBUAJS-UHFFFAOYSA-N 275.367 3.756 30 20 CHED C=CCN(Cc1nc(C)c(C)[nH]1)CC1CCCCC1 628174032 UNXCFXDKRFERDR-UHFFFAOYSA-N 261.413 3.595 30 20 CHED CC1(C)CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 467284409 RHTJNPRQRDUOQP-UHFFFAOYSA-N 294.345 3.782 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1cc(F)ccc1OC 546657535 YVTOHWZEXBAPOQ-AAEUAGOBSA-N 294.370 3.549 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1c(F)cc(F)cc1F 281497263 WOMPGLILGWINEI-SECBINFHSA-N 272.270 3.580 30 20 CHED CC#CCCCC(=O)N(C)Cc1ccc2ccccc2c1 464531735 WXITZPYXMHNSHI-UHFFFAOYSA-N 279.383 3.992 30 20 CHED C=CCCN(C)C(=O)c1sc(-c2ccccc2)nc1C 466648315 MOGZNFOTJLTSOC-UHFFFAOYSA-N 286.400 3.767 30 20 CHED Cc1ccc(C)c(NCCOc2cccc(C#N)c2)c1 462208886 IMUKBIRFJTWIQT-UHFFFAOYSA-N 266.344 3.666 30 20 CHED Cc1ccc(C#N)c(NCc2ncoc2-c2ccccc2)n1 372316732 PXZQDFLGDLKZSQ-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)c1ccccc1F 281542601 ZLGGXZSCUCXZHU-CHWSQXEVSA-N 278.371 3.883 30 20 CHED Cc1nc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)ccc1C#N 288688855 UJAIGAUSLDOZLG-SWLSCSKDSA-N 299.418 3.549 30 20 CHED CCCNc1ccc(CNc2snc(C)c2C#N)cc1 289810432 ZEFRIYSGUVIVCY-UHFFFAOYSA-N 286.404 3.757 30 20 CHED CC(C)CN(CC(C)C)C(=O)[C@H](C)c1cccc(C#N)c1 463410648 QFBOTHBDJJINLL-OAHLLOKOSA-N 286.419 3.802 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2sccc2Cl)C1 285427340 HDQXMKLIRXDMDM-TVQRCGJNSA-N 282.796 3.604 30 20 CHED C[C@@H](C(=O)Nc1cc(F)cc(F)c1)c1cccc(C#N)c1 462291668 RQIYDFWQURDZBS-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(F)cn1 469930602 XPSZEZVHHDULJB-UHFFFAOYSA-N 299.349 3.831 30 20 CHED C/C=C/c1ccc(NC(=O)COc2ccccc2C#N)cc1 553671062 RVCZHFVGFDFGJH-GORDUTHDSA-N 292.338 3.609 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](CO)c1ccccc1Cl 554085421 BOFZFIJSDJDXIL-MJBXVCDLSA-N 281.827 3.606 30 20 CHED C=C[C@H](CC(=O)N(C1CC1)C1(C#N)CCC1)c1ccccc1 551309445 XHQWSSNFZAORGC-OAHLLOKOSA-N 294.398 3.784 30 20 CHED Cc1ccccc1-n1cc(/C=C\C(=O)c2ccsc2)nn1 806572054 UPNFOLIDSNRGBK-SREVYHEPSA-N 295.367 3.533 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C(C)(C)C)C1 478440330 XLRVQKVSNRNHCW-BBRMVZONSA-N 251.414 3.873 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](CC)Cc1ccc(C)cc1 472572263 AHZASYNWHZWMHD-ROUUACIJSA-N 275.436 3.575 30 20 CHED N#Cc1ncccc1NCC1(N2CCCCC2)CCCCC1 555129864 QCTJPHMZFWCTPP-UHFFFAOYSA-N 298.434 3.554 30 20 CHED CC(C)C1CCC(NC(=O)NCc2ccc(C#N)cc2)CC1 475107494 FMXKEPABYZAABM-UHFFFAOYSA-N 299.418 3.572 30 20 CHED C#C[C@H](NC(=O)c1ccccc1SCC=C)C(C)(C)C 807877939 ATIJJCZWOUCQEF-HNNXBMFYSA-N 287.428 3.742 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cnn(Cc2ccc(OC)cc2)c1 556610223 DOCXWPFHVWXRBT-GJZGRUSLSA-N 299.418 3.953 30 20 CHED Cc1cc(C(F)(F)F)c(NCC(C)(C)CCC#N)nn1 808094049 ZHOXSJVFNJOXQU-UHFFFAOYSA-N 286.301 3.546 30 20 CHED C[C@H](CCC#N)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 298142699 OHVLZGQOFSMAEF-ABAIWWIYSA-N 296.773 3.545 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(OC)c(C)c1 292155827 FCJQSCNPKCPGBT-UHFFFAOYSA-N 275.392 3.564 30 20 CHED CCSCC(=NOCC(F)(F)F)c1ccccc1 807978181 MRGYCFGILYNYJG-UHFFFAOYSA-N 277.311 3.723 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@H](C)C(C)(F)F 293306321 PYFXFNNKJCPXQI-ZDUSSCGKSA-N 281.346 3.535 30 20 CHED C=CCC(C)(C)c1noc([C@@H](OC)[C@H](C)CC)n1 566753411 XIJKYBCVTYIJFR-MNOVXSKESA-N 252.358 3.657 30 20 CHED CC(C)(C)c1ccc2cc(C(=O)NC3(C#N)CCC3)[nH]c2c1 299546799 XWQBTRALANZEPH-UHFFFAOYSA-N 295.386 3.641 30 20 CHED C[C@H](NN=Cc1ccc(C(F)(F)F)[nH]1)c1ccccc1 807966868 RYXNBMZCFDHQGC-JTQLQIEISA-N 281.281 3.718 30 20 CHED C[C@H](SC[C@H]1CCC[C@H](O)C1)c1ccc(C#N)cc1 291817652 DPDMWXXLJRHWOY-NOLJZWGESA-N 275.417 3.904 30 20 CHED CN(c1ccccc1NC(=O)CCCC#N)C1CCCC1 291297533 HTBVZSDSAFSCFJ-UHFFFAOYSA-N 285.391 3.698 30 20 CHED CCOc1ccc(NC(=S)NN=C2CC[C@H]2CC)cc1 807947278 NXIZHRWMLCBAPV-LLVKDONJSA-N 291.420 3.548 30 20 CHED COc1ccc(CN(CCC#N)CCC(C)C)c(F)c1 568890408 VJNOPKABJIKWRK-UHFFFAOYSA-N 278.371 3.596 30 20 CHED C/C=C/c1ccc(NC(=O)c2cccc(F)c2C#N)cc1 562874969 XAQJVZSGWWSASR-DUXPYHPUSA-N 280.302 3.983 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)O)s1 564350679 NYGTUCVNIHUCDH-RHSMWYFYSA-N 295.363 3.575 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)[C@H]1c1cccnc1 292866922 VWHZNWISWKZPBJ-KRWDZBQOSA-N 277.371 3.536 30 20 CHED Cc1ncsc1/C=C1\C(=O)c2ccccc2[C@@H]1C 809159370 OJGGHDNYCQVNHH-XSHGTHSTSA-N 255.342 3.835 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C1=CCCCCC1 804831464 MTRXABWABDUODI-UHFFFAOYSA-N 267.372 3.539 30 20 CHED N#CCCCCNC(=O)c1ccc(C2=CCCC2)cc1 290181932 GCDLAUNLBCPQHJ-UHFFFAOYSA-N 268.360 3.678 30 20 CHED C=CCC[C@@H](NCCN(C)[C@H](C)CC)c1ccco1 560526935 JCRQIMVARNHYSQ-HUUCEWRRSA-N 264.413 3.607 30 20 CHED CCCC(C)=NNc1ccc(C(=O)OCC)c(C)c1 812229983 RKKOWPALXOMBGU-UHFFFAOYSA-N 262.353 3.760 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(C)(C)CO2 564011759 MUWNLAFXPLEGHF-CQSZACIVSA-N 285.387 3.537 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1ccc2occc2c1 811667449 VSBLJKZLEJATDY-AWEZNQCLSA-N 294.354 3.824 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(OCCC)cc1 815313568 LZPSZNXGAVZSOQ-UHFFFAOYSA-N 284.302 3.730 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CC(c2ccccc2)C1 814935610 PJQYVBRRJYQYCM-MYJWUSKBSA-N 294.398 3.977 30 20 CHED C#CCN(Cc1ncc(CSC)s1)C1CCCCC1 816497822 UIOOHDFCBFHYMH-UHFFFAOYSA-N 294.489 3.774 30 20 CHED c1cc2c3c(c1)C(=NNC[C@H]1CCSC1)C[C@@H]3CCC2 811661425 KXLYUTHLBSOBMN-OCCSQVGLSA-N 286.444 3.557 30 20 CHED CCCN(C(=O)C[C@@H](CC#N)c1ccccc1)C(C)C 574581741 QDQWIUBCRLEUMW-MRXNPFEDSA-N 272.392 3.721 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(SC)cc1 486660442 UJQIIMRWCFLWLN-ZDUSSCGKSA-N 276.405 3.981 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1OC 488869600 LUWCTCTXZVYQBW-LBPRGKRZSA-N 279.767 3.529 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cc2[nH]ccc2cc1C 811320636 VNLIVJBOLWTMDX-UHFFFAOYSA-N 288.350 3.639 30 20 CHED COc1ccc([C@@H](C)C(C)=NOCCOC(C)C)cc1 812238287 QYZPLHDONPAVKH-ZDUSSCGKSA-N 279.380 3.616 30 20 CHED C#C[C@@H](C)N(C)C(=O)NCC1(c2ccccc2)CCCCC1 812006873 ZWBCRGHDNVMQQF-MRXNPFEDSA-N 298.430 3.552 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3cccc(C#N)n3)C2)cc1 486483825 DKHMGWNXVXQNSC-GOEBONIOSA-N 277.371 3.644 30 20 CHED CC(=NOC/C=C/Cl)[C@H](C)Cc1ccccc1[N+](=O)[O-] 811669291 CWJLKTLFINMYLX-LTHZJQMKSA-N 296.754 3.918 30 20 CHED C=CCCOC(=O)C1(c2ccc(C)c(OC)c2)CCC1 729074417 ZURLMLAKPLZIEL-UHFFFAOYSA-N 274.360 3.545 30 20 CHED C[C@@H](OC(=O)CCC(C)(F)F)c1cccc(C#N)c1 727636741 PGNJGNXCPYJKMK-SNVBAGLBSA-N 267.275 3.598 30 20 CHED N#Cc1cccc(CSCc2cccc3c2OCCO3)c1 729854611 FSZGIKITYCPPOS-UHFFFAOYSA-N 297.379 3.763 30 20 CHED CCCC[C@H](NC(=O)C#CC(C)C)c1ccc(OC)cc1 826030295 VPXILCFNGLVOHB-KRWDZBQOSA-N 287.403 3.702 30 20 CHED N#Cc1ccsc1C(=O)N[C@H]1CCCCC12CCCC2 575060807 NOMHXJCCMYRCOL-ZDUSSCGKSA-N 288.416 3.853 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCCCC1(F)F)c1ccncc1 825859693 VZEKWXBKUBTITN-KBPBESRZSA-N 294.345 3.641 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1ccccc1SC[C@H](C)C#N 571728397 GFKQUHUNFOEOBA-AGIUHOORSA-N 288.416 3.923 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H](CC)C(C)C)c1 729372957 XWQQEXAERFNVDQ-HNNXBMFYSA-N 257.377 3.703 30 20 CHED C[C@H](c1ccccc1)N(C)C(=O)Nc1sccc1C#N 729918299 FKUUGKLXFADBMK-LLVKDONJSA-N 285.372 3.845 30 20 CHED COc1c(Cl)cc(NC(=O)C#CC(C)C)cc1Cl 825240961 LZMXJVOCZMVLKJ-UHFFFAOYSA-N 286.158 3.600 30 20 CHED C[C@H]1CN(C)c2ccccc2N(C(=O)CCCCCC#N)C1 588756916 XWHAXNAAHGCEPT-HNNXBMFYSA-N 299.418 3.580 30 20 CHED N#C[C@]1(C(=O)NC2CCCCCCC2)CC12CCCC2 822176802 WMUQAAZLLPIGLF-KRWDZBQOSA-N 274.408 3.690 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1OCC(C)C)C(C)C 821533713 DKZKXIBPASKKMS-CQSZACIVSA-N 288.391 3.501 30 20 CHED C[C@@H](CC(=O)O)SCc1ccccc1C(C)(C)C#N 827385672 MZYIYOCUEJRSGG-NSHDSACASA-N 277.389 3.584 30 20 CHED CC[C@H](NC[C@@H](CCO)CC(C)C)c1cccc(C#N)c1 902827858 QLQNQVGQDJDRNS-WMZOPIPTSA-N 288.435 3.644 30 20 CHED Fc1ccc(NN=C2CC(C(F)F)C2)c(Cl)c1 901319623 BHWYIXKWESKSNY-UHFFFAOYSA-N 262.662 3.922 30 20 CHED CCCCCCC[C@@H](C)NCc1ccc(C(=O)O)o1 901664686 XGPVKCWJDJCKDD-GFCCVEGCSA-N 267.369 3.816 30 20 CHED COc1ccc(NC(=O)c2ccn(C(C)C)c2C)cc1C#N 830413621 ZGPZTQYGZZUGJG-UHFFFAOYSA-N 297.358 3.510 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839059177 YYSHFFXXKWMPTC-DGAVXFQQSA-N 289.400 3.786 30 20 CHED CCCCn1ncc(NCc2cc(C#N)ccn2)c1C(C)C 901411698 SCLTTXAZQKDYDX-UHFFFAOYSA-N 297.406 3.685 30 20 CHED N#CCCCCCC(=O)NCc1ccccc1C(F)(F)F 588154704 DSXJUJBZZUTXMD-UHFFFAOYSA-N 298.308 3.796 30 20 CHED CCC[C@@H](C=NNc1ccc(C(F)(F)F)cc1)OC 834965121 KGIMTOZDNNESGQ-LBPRGKRZSA-N 274.286 3.918 30 20 CHED CC[C@H](NCc1ccnc(C)c1)c1cccc(C#N)c1 903004551 DZWKFLJXXTZZRA-KRWDZBQOSA-N 265.360 3.503 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CCCCCC#N 588279260 BPDNUYCDWXYMSO-UHFFFAOYSA-N 297.402 3.771 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCc2cccc(F)c2F)C1 839048024 BNVWXWAUSSDZGX-WCQYABFASA-N 293.313 3.523 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cscc2C(F)(F)F)C1 589511606 YNNMIWRRBQYKFK-LBPRGKRZSA-N 288.338 3.893 30 20 CHED CC(C)[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 733697510 IECCJKFWRHNQJR-KOLCDFICSA-N 290.363 3.904 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1cc(-c2ccco2)on1 909531258 WUYXLDSQMQHESS-NSHDSACASA-N 275.304 3.580 30 20 CHED CC1(C)CCC/C(=C\c2ccc3oc(=O)oc3c2)C1=O 901481851 FOHZKSVBYNXUBN-DHZHZOJOSA-N 272.300 3.549 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H](C)c1cccc(F)c1 734811684 LBPDHEJTENATJV-CQSZACIVSA-N 290.382 3.718 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ncc(Cl)cc1Cl 901767454 MSDFXHZJTIIDKX-QMMMGPOBSA-N 273.163 3.929 30 20 CHED CC(C)n1ccnc1S[C@H](C#N)c1ccccc1 581499676 OEYPJCNXHTVWEI-CYBMUJFWSA-N 257.362 3.821 30 20 CHED Fc1ccc2c(c1)CCC2=NNc1ccccc1F 734298641 JCRRNWRCZKLHIE-UHFFFAOYSA-N 258.271 3.727 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](C1CC1)C(F)(F)F 588325454 WHVOSMVNLXTNCQ-HUUCEWRRSA-N 294.320 3.866 30 20 CHED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)O 738397834 ZWEHBODLWIVQHO-UHFFFAOYSA-N 284.290 3.690 30 20 CHED CSc1ccc([C@H](C)NC(=O)C#CC(C)(C)C)cc1 837596089 KFTSQBNNHVEDIC-LBPRGKRZSA-N 275.417 3.635 30 20 CHED COc1ccc(C=NNc2c(C)cc(C)cc2C)cc1O 916339708 SSVHEXJDXJYGIW-UHFFFAOYSA-N 284.359 3.772 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1ccc(CO)cc1 592990048 UZXKDEHYOKEJGG-UHFFFAOYSA-N 281.355 3.699 30 20 CHED CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)[C@H](C)C#N 598359369 ULJWYAZOGQERGS-LLVKDONJSA-N 298.308 3.556 30 20 CHED C=CCOc1ccc(CN[C@H]2CCCc3cccnc32)cc1 671764789 PMBCMYDWMXFPEC-SFHVURJKSA-N 294.398 3.814 30 20 CHED CCC(C)(C)CC(=O)OCc1cc(C#N)ccc1F 745777873 OJGGGYSPVRXNJZ-UHFFFAOYSA-N 263.312 3.567 30 20 CHED O=C(C#CC1CC1)OCc1nc(C2CCCCC2)cs1 838366731 MNXBRGZDIGSEFM-UHFFFAOYSA-N 289.400 3.647 30 20 CHED C[C@@H]1Cc2ccccc2CN1c1nc(C#N)c(Cl)s1 596219273 RMOVEHZBUBSWTD-SECBINFHSA-N 289.791 3.619 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 835261383 VJOCFRPFWBLVSM-VIFPVBQESA-N 254.276 3.781 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 835035260 FFWSUBRIXKTRAE-UPJWGTAASA-N 281.359 3.565 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C\c1ccccc1O 749931142 QUFFMVQGIUIJCA-KIWKMNIMSA-N 263.406 3.875 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccc2c(c1)COC2 742435754 ACSNUIZHRWLNGW-SREVYHEPSA-N 286.277 3.891 30 20 CHED Cc1ccc(C)c(NC(=S)NN=Cc2cccs2)c1 915912099 KFSVWWJPQCXNAI-UHFFFAOYSA-N 289.429 3.685 30 20 CHED Cc1cccc(/C=C2\Cc3ccc(F)cc3C2=O)c1 749006507 XRHNWHFQTQYUHB-RIYZIHGNSA-N 252.288 3.957 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c1 590859751 VXNAEPCFMNAYBT-HZPDHXFCSA-N 297.402 3.909 30 20 CHED C/C(=C/C(=O)OCc1ccc(F)cc1C#N)C(C)(C)C 745596622 CKTPAITWXVJSFR-XFFZJAGNSA-N 275.323 3.733 30 20 CHED CCc1nc(C)c([C@@H](C)NCCc2ccc(C#N)cc2)s1 595055889 MAHKSRHLXDPZCP-GFCCVEGCSA-N 299.443 3.779 30 20 CHED CC(C)(C#N)CCCCN1CCC([C@@H]2CCCCO2)CC1 595785164 VWLGKROXYJBNIY-KRWDZBQOSA-N 292.467 3.988 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C1CCCCC1)C1CCC1 592696984 JOGGNNCSSOFAMJ-DOTOQJQBSA-N 276.424 3.791 30 20 CHED C#CCC1(C(=O)N2CCC3(CC2)CC3(F)F)CCCCC1 844868251 LYEJWJPTTRXCDU-UHFFFAOYSA-N 295.373 3.608 30 20 CHED C=C[C@@H](CC(=O)OCCc1cccc(C)n1)c1ccccc1 842841980 SRNPVUHONHRQIJ-INIZCTEOSA-N 295.382 3.836 30 20 CHED O=C1/C(=C/c2ccc3ncccc3c2)Oc2ccccc21 742435934 FFLQOJLHGQRXGH-BOPFTXTBSA-N 273.291 3.851 30 20 CHED Cc1ccc([C@H]2CCCC2=NNc2ccc(C)nn2)cc1 741841694 DRAAEBZIJPZEOC-OAHLLOKOSA-N 280.375 3.829 30 20 CHED CC(CCc1ccco1)=NNc1cccc(C(=O)O)c1C 844627392 LGTJJAPCCWKGEZ-UHFFFAOYSA-N 286.331 3.707 30 20 CHED CC(C)c1cccc(C(=O)NCC2CCC(C#N)CC2)c1 597618126 ZRWRONUGIYEWRF-UHFFFAOYSA-N 284.403 3.870 30 20 CHED CCOc1ccc(/C=N\Cc2cc(C)ccc2OC)c(O)c1 914557558 JRXUQHJURQRKFQ-ODLFYWEKSA-N 299.370 3.727 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccc(C=NOC)cc1 849157256 FJFWNCKFAOFYLX-AWEZNQCLSA-N 290.407 3.613 30 20 CHED C[C@H](C#N)Oc1ccccc1NCCCC1CCC1 849315916 LYVQIWVHLITHJE-CYBMUJFWSA-N 258.365 3.970 30 20 CHED Fc1ccc(OCCCON=Cc2cccc(F)c2)cc1 745581628 RENJHGCTGPGDOO-UHFFFAOYSA-N 291.297 3.784 30 20 CHED CCc1nc(C(C)C)ccc1CSCCO[C@@H](C)C#N 842183725 MYFJGAMAISAFQZ-ZDUSSCGKSA-N 292.448 3.929 30 20 CHED C[C@H]1CCN(c2nc(C#N)c(Cl)s2)CC12CCC2 596182003 JMUUYBMOTWPBOY-VIFPVBQESA-N 281.812 3.685 30 20 CHED C[C@@H](CCC#N)N1CCC(N2c3ccccc3C[C@H]2C)CC1 591017202 VIRYDNXELNQZEG-JKSUJKDBSA-N 297.446 3.594 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)c1cc(Cl)c[nH]1 749193277 MRDBGLKFCVFJRR-UHFFFAOYSA-N 294.137 3.530 30 20 CHED CC[C@H](Cc1ccc(Br)cc1)NC[C@@H](C)C#N 597082267 IATLOUDKZPALIG-SMDDNHRTSA-N 295.224 3.519 30 20 CHED CCCNN=C(CC)c1cccc(Br)c1 915965197 AYTNOAWFWADWNN-UHFFFAOYSA-N 269.186 3.563 30 20 CHED CCCCCCCC(=O)NCc1cc(C)ccc1OC 914499273 JMERICZCWXREGH-UHFFFAOYSA-N 277.408 3.980 30 20 CHED C#CC1CCN(C(=O)CCC(C)(C)c2ccccc2)CC1 843704796 JGUBCSUDTLOULF-UHFFFAOYSA-N 283.415 3.616 30 20 CHED CCC(CC)Oc1ccc(C(=O)N(C)[C@@H](C#N)CC)cc1 594082806 CWNBABGTSVMGRF-CQSZACIVSA-N 288.391 3.628 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCc2ccc(C)cc21 682379718 FRNARBBQKORVMU-NVXWUHKLSA-N 257.377 3.701 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1cccc(C)c1 840750291 TYPIHKNTSXJMTB-UHFFFAOYSA-N 262.422 3.884 30 20 CHED CN(CCCC/N=C/c1ccccc1O)c1ccccc1 920172781 JWVIUNDAHNOUNT-XDJHFCHBSA-N 282.387 3.728 30 20 CHED N#Cc1ccc(Br)c(CN[C@@H]2CC=CCC2)c1 921758413 XBIYSNGHASRRIG-CYBMUJFWSA-N 291.192 3.519 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(C[C@H](C)c2ccccc2)no1 685316793 LBHAZXCXECXTAX-YSVLISHTSA-N 298.386 3.864 30 20 CHED Cc1cnc(/C=C\C(=O)c2ccc3c(c2)CCCO3)s1 853010323 ATIILXLGRJPNQR-ALCCZGGFSA-N 285.368 3.673 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)c1ccccc1C(F)(F)F 682428705 LFLYPEWRYZFKCM-NSHDSACASA-N 285.309 3.843 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(O)c(F)c1)c1ccccc1 681057565 BJOWPDQOCXMJHS-INIZCTEOSA-N 299.345 3.969 30 20 CHED CC(=O)CC(C)(C)CC(=O)O[C@@H](C)c1cccc(C#N)c1 755776791 IWDAVCIJVVUJTR-ZDUSSCGKSA-N 287.359 3.558 30 20 CHED C(CCc1ccccc1)=NNCCCOc1ccccc1 755696311 LFHHQAYOTMHUDC-UHFFFAOYSA-N 282.387 3.664 30 20 CHED CC(C(=O)N(CCC#N)c1ccc(F)cc1)=C1CCCC1 753611723 ZJSYKTIKUJAAFE-UHFFFAOYSA-N 286.350 3.963 30 20 CHED CCC/C=C\C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 752037945 RPJXSDACIKJXPI-NOVMVXNFSA-N 282.387 3.641 30 20 CHED C[C@H](OC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1cccc(C#N)c1 751177099 WSVMWPGBLVHGFO-DANNLKNASA-N 269.344 3.599 30 20 CHED C=CC[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ccncc1 756582061 FLDPLQFZDKAADW-MLGOLLRUSA-N 286.350 3.894 30 20 CHED C=CCC(CC=C)C(=O)OCC(=O)c1cc(C)ccc1C 759008661 UOKMDSCAVLZHHB-UHFFFAOYSA-N 286.371 3.798 30 20 CHED C#CCOc1ccc(NC(=O)C(C)=C2CCCC2)cc1 753607897 NYGIQIGWWRWZSM-UHFFFAOYSA-N 269.344 3.528 30 20 CHED C#CCCCSc1nnc(NCc2cccs2)s1 920225951 BTBWMKZUDNBYDO-UHFFFAOYSA-N 295.458 3.717 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2O)cc1 757474513 CGCHQJYQXTWGHQ-QPJJXVBHSA-N 290.265 3.575 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1csc2ccccc12 756970857 HCIXNUUWRRGCED-GHMZBOCLSA-N 274.389 3.836 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C)c(C#N)c1 856273317 LTNVWVRFHCRAPI-XJKSGUPXSA-N 270.376 3.660 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccc(OC(C)C)cc1)OCC 755910323 XEEGCKYOIWCLFS-MRXNPFEDSA-N 292.375 3.751 30 20 CHED C[C@@H]1CCc2sc(C(=O)OCCCCC#N)cc2C1 754404301 WDUDOLINJFDAJT-LLVKDONJSA-N 277.389 3.724 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C[C@H]1C[C@H]2CC[C@H]1O2 851143713 NGPXXGDWBSLCRR-OXGONZEZSA-N 278.392 3.622 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(C)c(F)c1)C2=O 759664696 LRMQGUONNSZRNU-JYRVWZFOSA-N 282.314 3.965 30 20 CHED C#CCOc1ccccc1-c1noc(C[C@@H](C)CCC)n1 761992468 UAEKFFGLRLHTBB-ZDUSSCGKSA-N 284.359 3.727 30 20 CHED CCCCOc1ccc(C=NOCC(F)(F)F)cc1 764843957 DAHSIDZIVHRDEZ-UHFFFAOYSA-N 275.270 3.778 30 20 CHED Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)nc1 933609910 KDKYJIMXYVZWTD-UHFFFAOYSA-N 291.398 3.641 30 20 CHED C#CCCOc1ccc(CN2CCc3sccc3C2)cc1 768234464 LNYDCZDRJLMBII-UHFFFAOYSA-N 297.423 3.709 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCOC[C@H]1OCC 768528574 FKHPNDAGIDDKEG-ARFHVFGLSA-N 271.445 3.519 30 20 CHED Cc1ccc(C=NNCc2ccc(Cl)cc2)cc1 864027279 YQWVEQLNIFVWBW-UHFFFAOYSA-N 258.752 3.772 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(CN(C)C)ccc1C 934168956 MAZDNKVNKCGJCP-CQSZACIVSA-N 274.408 3.597 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc2ccncc12 934487608 RZVPTGXWRTUXGI-LBPRGKRZSA-N 254.333 3.776 30 20 CHED CC(C)CC(=O)OCc1ccccc1C(C)(C)C#N 767982442 LEPBQQCFEVKTMT-UHFFFAOYSA-N 259.349 3.577 30 20 CHED Cc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1C#N 766492619 VSMQNQDNWAZYIO-RIYZIHGNSA-N 277.298 3.828 30 20 CHED C[C@H](OC(=O)[C@H](F)c1ccccc1)c1ccc(C#N)cc1 769306578 LUYPJZWTJZAUKY-BLLLJJGKSA-N 283.302 3.873 30 20 CHED CCn1c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc2ccccc21 1117890453 OHNNPMZSIGZSQX-DZGCQCFKSA-N 296.370 3.900 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2CC2(Cl)Cl)CCCC1(C)C 767220112 YLSFHLIWYYILTG-WDEREUQCSA-N 290.234 3.774 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCC3)CC2 1117671243 CQHNTVXFHHYJPL-HXUWFJFHSA-N 288.394 3.824 30 20 CHED Cc1ccc(-c2ccc(C=NNCC(F)(F)F)o2)cc1 769821158 ICDWPFDOEHBDAO-UHFFFAOYSA-N 282.265 3.741 30 20 CHED O=C(/C=C\c1nc2ccc(F)cc2s1)c1ccncc1 761473279 BRQPRAWEDSPZKH-ARJAWSKDSA-N 284.315 3.727 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 1118102696 IHFSDEVUCQRTHJ-UHFFFAOYSA-N 285.343 3.642 30 20 CHED C#CCOc1ccc(CNc2cc(C)ccc2OC)cc1 770511167 OLFGDWYGINFCPD-UHFFFAOYSA-N 281.355 3.628 30 20 CHED CCC(CC)CNN=Cc1c(C2CC2)nc2sccn12 774460361 GFRTZMHMIALVAT-UHFFFAOYSA-N 290.436 3.633 30 20 CHED C=CCNc1ncc(C(=O)O[C@H](C)c2ccccc2)s1 770118754 ZJZXHBJLUGAPJF-LLVKDONJSA-N 288.372 3.659 30 20 CHED CC(=O)[C@@H](C)CCON=C(c1ccccc1)C(F)(F)F 1118456754 IROUPCLICDXBTM-JTQLQIEISA-N 287.281 3.585 30 20 CHED CC[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H]1C 1559770079 YBWKNCKESOAETQ-WCQYABFASA-N 262.784 3.832 30 20 CHED Fc1ccc(/C=C\C=NN[C@@H]2C[C@H]3CC[C@H]2C3)cc1 774598228 WYZWKAMHLMDHCS-FVCDINGVSA-N 258.340 3.603 30 20 CHED CCc1cccnc1C(C)=NNc1ncccc1Cl 779770589 LLCYWGSLQISRHX-UHFFFAOYSA-N 274.755 3.529 30 20 CHED C#C[C@@H](C)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F 775387683 GQMUSNQHBNWTKC-CYBMUJFWSA-N 281.330 3.553 30 20 CHED CC(CC12CC3CC(CC(C3)C1)C2)=NNC[C@@H](C)C#N 771100432 UZMABZVSQYUKMY-NICGVCSZSA-N 273.424 3.718 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1nc2c(s1)CCC2 779988164 ASGKXEHNRLOQGA-LLVKDONJSA-N 299.399 3.535 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2cccc(CC#N)c2)[C@@H]1C 1127768381 ZZDQJOFTOFLQES-XJKCOSOUSA-N 271.360 3.734 30 20 CHED CCCCN(C)c1nnc([C@H](C)CCC#N)n1CC(C)C 1122762776 LPZDCEREFIWSPZ-CQSZACIVSA-N 291.443 3.578 30 20 CHED C#CCCCCc1nc(-c2ccc(OCC)c(F)c2)no1 784194829 GVINTPVNZWHKBI-UHFFFAOYSA-N 288.322 3.620 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1cc(C#N)ccc1F 1129597831 OOAOOXSKKUNVKU-LLVKDONJSA-N 262.328 3.708 30 20 CHED CSc1ccsc1C(=O)OCCCC(C)(C)C#N 783551705 PFEVRLFCNHEFLQ-UHFFFAOYSA-N 283.418 3.957 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CCC(=O)c2cccn21 789229824 ROYDTSXGWRUEGL-HNNXBMFYSA-N 291.391 3.909 30 20 CHED C[C@H]1CCCC[C@H]1C=NNCc1ccc(F)c(F)c1 783827950 RBHPUQDACZKSIO-AAEUAGOBSA-N 266.335 3.867 30 20 CHED C#CCOc1ccc(CNc2cccc3ccn(C)c23)cc1 788074077 ITIGKDKXSCBOKJ-UHFFFAOYSA-N 290.366 3.802 30 20 CHED Cc1ccc([C@@H](C)C(=O)OCCCC(C)(C)C#N)o1 783938941 MFEBSJBVOVSCGL-GFCCVEGCSA-N 263.337 3.565 30 20 CHED CC(C)c1ccc(C=NNc2ncncc2Cl)cc1 780280935 ARGCPGZWLPBZLV-UHFFFAOYSA-N 274.755 3.699 30 20 CHED N#CC[C@H](C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1ccccc1 1129887218 PLOCQTWRXMJKKB-KSZLIROESA-N 296.414 3.769 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccccc2CC(C)C)n1 1129378793 OBPMERDVUNCTMB-UHFFFAOYSA-N 293.370 3.713 30 20 CHED C[C@H](CC(=O)N(CC#N)c1ccccn1)C1CCCCC1 892464402 IVWPJKHOJXVVJO-CQSZACIVSA-N 285.391 3.545 30 20 CHED C#C[C@@H](OC(=O)c1ccc(C)o1)c1ccc(Cl)cc1F 788154359 VDZTZMQTMYPYGP-CYBMUJFWSA-N 292.693 3.912 30 20 CHED C#CCC1(C(=O)Nc2ccc(F)cc2OC)CCCCC1 788436884 OLJRGMQWBXQQIB-UHFFFAOYSA-N 289.350 3.747 30 20 CHED C=CCC1(NC(=O)N[C@@H](c2ccncc2)C2CC2)CCCC1 898999472 DBXDCRYUFMCOFZ-MRXNPFEDSA-N 299.418 3.721 30 20 CHED C#CCCCCCC(=O)OCc1cccc(C(C)=O)c1 780006397 IJBCKASLAMXZJI-UHFFFAOYSA-N 272.344 3.516 30 20 CHED C=C(Cl)CN1[C@@H](C)Cc2cc(OC)ccc2[C@H]1C 782097360 JHCNRBHCQFLARB-NWDGAFQWSA-N 265.784 3.755 30 20 CHED CCC/C=C/C(=O)OCc1ccc(Cl)cc1C#N 780494183 HBVLPTDWARHLJK-SNAWJCMRSA-N 263.724 3.611 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@H](c2ccc(C)cc2C)C1 793074370 GNSQZIOVIVQJNA-DLBZAZTESA-N 298.430 3.604 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1C#N 799345401 AKOKIJRMWQJPGV-CYBMUJFWSA-N 290.322 3.656 30 20 CHED CC(C)[C@@H](NCCCC(C)(C)C#N)[C@@H](O)c1ccccc1 794601945 VHESJBFNGJJPAB-SJORKVTESA-N 288.435 3.664 30 20 CHED C=CCCCCC[C@@H](C)NCCc1cscn1 793534909 QXGGQFMUZVMEDM-CYBMUJFWSA-N 252.427 3.800 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(O)c(F)c2)oc1C 799896640 XMZMEYVSJAWCJZ-XQRVVYSFSA-N 260.264 3.637 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)o1)c1ccc(Cl)s1 794329875 TXDJXRGOUMSIEZ-SECBINFHSA-N 294.763 3.747 30 20 CHED CC#CCCCC(=O)OC[C@@H](OC(C)C)c1ccccc1 795529562 LGFNJSXFAJZEJW-QGZVFWFLSA-N 288.387 3.890 30 20 CHED CC[C@@H]1CCC[C@H]1CNCc1ccc(C#N)c(C)c1 1202458051 YSUSUKUROWMNGH-WBVHZDCISA-N 256.393 3.783 30 20 CHED CC1(CNN=Cc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 793081874 OIKVJNNSNBKVIU-UHFFFAOYSA-N 295.770 3.752 30 20 CHED CC1(C)CN(Cc2cccc(C#N)n2)c2cccc(Cl)c21 1205360451 ZIOHDXMMJQHRHZ-UHFFFAOYSA-N 297.789 3.904 30 20 CHED CC1(C)CCC/C(=C/c2c(F)ccc(O)c2F)C1=O 794940877 DNPIUIPQENZVKK-HJWRWDBZSA-N 266.287 3.833 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C[C@H]1C[C@H]1c1ccccc1 790310680 KRKRYWBZXNDJSF-OLZOCXBDSA-N 299.305 3.935 30 20 CHED C#Cc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 792914990 HHOYDDTVMWUUJW-KRWDZBQOSA-N 288.350 3.694 30 20 CHED Cc1cc(/C=C\C(=O)c2ccccc2C#N)cnc1Cl 799498812 OYVVBQPGPZQOGD-SREVYHEPSA-N 282.730 3.811 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(-c2cccs2)c1 1143064247 CPNLZUDGBXAKJI-NSHDSACASA-N 270.357 3.903 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1ccccc1OC 135678420 QMOICCHURZVUNT-HNNXBMFYSA-N 286.400 3.869 30 20 CHED C#CCCCCCC(=O)Nc1ccn(C2CCCCC2)n1 1322006249 DCAIIPYWOUGSGI-UHFFFAOYSA-N 287.407 3.911 30 20 CHED N#Cc1cccc(-c2nnc([C@@H]3C[C@H]4CC[C@H]3C4)o2)c1 1326307008 WYYQYKCFQWFRCA-VHRBIJSZSA-N 265.316 3.512 30 20 CHED CCc1cccc2c1OCC[C@H]2Nc1cccc(CC#N)n1 1325709937 JBHZXDRCYAZTKK-MRXNPFEDSA-N 293.370 3.646 30 20 CHED C=CCOCCN(C)Cc1cccc(Cl)c1Cl 549748689 KLXOHFJADSXPGO-UHFFFAOYSA-N 274.191 3.628 30 20 CHED CCC(CC)(CNc1c(C#N)cccc1C#N)SC 1324667967 WBUZDMYKQCESNZ-UHFFFAOYSA-N 273.405 3.764 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)c(F)c1 191892703 YKKKVALMFPPBIK-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1cccs1 192839320 DHLZVONWGILKRT-NSHDSACASA-N 285.372 3.697 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1cccc2c1CCCN2 1337261649 ORMNABNOBBCHAF-CYBMUJFWSA-N 272.392 3.610 30 20 CHED CCN(CCCCC(C)(C)C#N)CCc1ccccn1 769745492 CELUFTAQEAIBRC-UHFFFAOYSA-N 273.424 3.666 30 20 CHED Cc1cc(F)ccc1CN1CCCC(C)(C)[C@@H]1C#N 579912541 LVZURIXHKIAJTD-HNNXBMFYSA-N 260.356 3.648 30 20 CHED C#CCOc1cccc(NC(=O)CC2CCCCC2)c1 730980212 TZHYETFTJXVDSL-UHFFFAOYSA-N 271.360 3.608 30 20 CHED CC(C)CNN=Cc1ccccc1-c1ccccc1 1337117448 CFUAQWRAHXFQRV-UHFFFAOYSA-N 252.361 3.933 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1coc(-c2ccccc2)n1 1337549895 FZPLHYBMRKWKRY-HNNXBMFYSA-N 296.370 3.912 30 20 CHED C#C[C@@H](OC(=O)[C@@H](F)CC)c1cccc(C(F)(F)F)c1 1343746387 UWILZUCZQFENJC-NWDGAFQWSA-N 288.240 3.671 30 20 CHED C=C(CC)C(=O)Nc1c(F)cccc1NC(C)C 1347797359 HFCQFWNWWWTSOI-UHFFFAOYSA-N 250.317 3.551 30 20 CHED C=C(CC)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 1346237862 HLFPBHAGNMQYDJ-UHFFFAOYSA-N 270.376 3.676 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCCC(C)(C)CC1 1341965635 JHQGUWROPSIIGY-UHFFFAOYSA-N 298.381 3.808 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC(c2ccc(F)cc2)C1 1344556233 YYMAYVCZZUTHMC-UHFFFAOYSA-N 290.382 3.537 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C)cc(Cl)n1 1347523657 ZZSINZJFEAEGOJ-GFCCVEGCSA-N 278.783 3.614 30 20 CHED CCCCCCCCCSCc1nncn1C 1343547476 KGKMDCFCACMKIN-UHFFFAOYSA-N 255.431 3.799 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(C(F)F)cc2)s1 1439756828 HNSCOEKZGHXKJP-UHFFFAOYSA-N 278.283 3.810 30 20 CHED CS(C)(=O)=Nc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 1350338486 NJYHZCRTQXDFNX-STQMWFEESA-N 291.420 3.540 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1270342292 NBOOKHQCMXFMHL-DLBZAZTESA-N 298.430 3.969 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 1436708081 YLGKJZQPKCZQKB-DLBZAZTESA-N 294.329 3.748 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc(Br)c(C)c1 816050678 XKHXVMHNKDVEQJ-UHFFFAOYSA-N 297.196 3.693 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)cc1F)c1ccccc1 1355255934 BTWRHHWBYGCLPU-UHFFFAOYSA-N 282.318 3.753 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc(C#N)c(Cl)c1 1460709627 MONHRFXVJAXDIT-BDJLRTHQSA-N 290.794 3.910 30 20 CHED C[C@@]1(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]2CC[C@H]1C2 1521814702 IBKXVGJOTRCICT-KNHMANMVSA-N 288.778 3.976 30 20 CHED C[C@H]1C[C@@H](C(=O)N2CCCc3cc(C#N)ccc32)CC[C@H]1C 1460302425 KTNCKPZSHDKWCX-KEYYUXOJSA-N 296.414 3.910 30 20 CHED N#Cc1cc(Sc2ccc3c(c2)CCCC3)ccn1 1472809655 WDAOYPKJAKOZNN-UHFFFAOYSA-N 266.369 3.983 30 20 CHED N#CC[C@H](C(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 1628320834 SDSVUKWYWZBWRX-SZMVWBNQSA-N 296.414 3.723 30 20 CHED CCN(Cc1cccc(Cl)c1)c1ccc(C#N)c(C)n1 1639293180 HPISKEHRLLVNKN-UHFFFAOYSA-N 285.778 3.942 30 20 CHED CC[C@H]1CCC[C@H]1Nc1nc(C#N)c(Cl)s1 1642442201 XYXOEXPKDXWIRN-JGVFFNPUSA-N 255.774 3.659 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2ccc(Cl)c(F)c2)n1 1650880521 CHDKUMRQQBZREX-QMMMGPOBSA-N 290.729 3.622 30 20 CHED C#CCC1(NCc2cc(C(=O)O)sc2C)CCCCC1 1588427779 LPMWQBPYXFXQPY-UHFFFAOYSA-N 291.416 3.571 30 20 CHED CCN(Cc1ccc(O)c(F)c1)[C@H](C)c1ccc(C#N)cc1 1663889250 SQDXQOOOSFVVAT-CYBMUJFWSA-N 298.361 3.986 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccc(/C=C\C(=O)O)o2)c1 1776133715 MTDLCUDDCFYCKK-XOHWUJONSA-N 296.322 3.890 30 20 CHED Cc1c(NN=C2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cccc1C(=O)O 1776087194 NCKFEHSPHCHLKY-NLZNIHBBSA-N 284.359 3.527 30 20 CHED CCC(=NNc1ccc(C(=O)O)cc1)c1ccsc1 1776012958 ZCARLFYQPXASKU-UHFFFAOYSA-N 274.345 3.673 30 20 CHED O=C(O)c1ccc(/C=C2/CCc3c(F)cccc3C2=O)cc1 1777673496 SGTYYZYFWWRXOG-RAXLEYEMSA-N 296.297 3.736 30 20 CHED Cc1cccc(C(=O)/C=C\c2csc(C(=O)O)c2)c1 1776126911 AWFTYONEAAMXAZ-WAYWQWQTSA-N 272.325 3.651 30 20 CHED Cc1ccc(C=NNc2cccc(C(=O)O)c2)c(Cl)c1 1776037459 IVIZBJKVGVSIBF-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@H]2C=CCCCCC2)C1 1776154621 OGGPSMDZNVSOFS-RDJZCZTQSA-N 277.408 3.618 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(F)c(SC)c2)c1 161214457 XZXQQOJHUSXAJC-UHFFFAOYSA-N 299.370 3.806 30 20 CHED CCS[C@H]1CCC[C@@H](Nc2nc(C)ccc2C#N)C1 161713506 DAXMMOGCPPUDFC-KGLIPLIRSA-N 275.421 3.738 30 20 CHED C=CC1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 153906038 SZUXIGNFHHJHSM-UHFFFAOYSA-N 267.731 3.517 30 20 CHED N#Cc1cccc(CN[C@H]2CSCCc3ccccc32)c1 151390971 HRUHFTYHYLTNOO-SFHVURJKSA-N 294.423 3.678 30 20 CHED C=CCCS[C@H](C)C(=O)N(C)Cc1ccccc1C 151991265 DNOGGEFOQQQHMD-CQSZACIVSA-N 277.433 3.651 30 20 CHED Cc1cccc(NC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c1 155767756 GXXARXLEYWQOFN-ZDUSSCGKSA-N 299.399 3.821 30 20 CHED O=C(/C=C\C1=Cc2ccccc2OC1)c1cccs1 207873764 CKCWQCLZANQHBI-FPLPWBNLSA-N 268.337 3.963 30 20 CHED CCCCCCCNCc1cccc([N+](=O)[O-])c1C 225779370 REQZUYZOEIORMT-UHFFFAOYSA-N 264.369 3.963 30 20 CHED CCS[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 234000575 BOCBCKLFFBVRDH-VBNZEHGJSA-N 274.433 3.883 30 20 CHED CCN(Cc1cccs1)c1ccc([N+](=O)[O-])c(C#N)c1 127930498 YKGHMHJHNXWEIO-UHFFFAOYSA-N 287.344 3.554 30 20 CHED CN(Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 29482172 CHQXWDLPJMFTKQ-GOSISDBHSA-N 262.356 3.678 30 20 CHED N#Cc1ccc(CN[C@@H](c2cccs2)C2CC2)cc1 49956670 ITJDEAIBTIHXCW-MRXNPFEDSA-N 268.385 3.861 30 20 CHED N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@H]2OCC[C@H]12 301631535 CQQUKYHAZKIKNJ-BPLDGKMQSA-N 276.767 3.581 30 20 CHED C=CCCCCNCc1ccc2nc(C)ccc2c1 311592213 DGNABNIAIFCOFF-UHFFFAOYSA-N 254.377 3.989 30 20 CHED N#Cc1cnc(Oc2ccc3c(c2)CCC3)c(Cl)c1 513615781 UUDCZNRJUBBEIY-UHFFFAOYSA-N 270.719 3.888 30 20 CHED Cc1nc(Nc2ccc3ncsc3c2)ccc1C#N 311891541 YHLPBUVAEUUOEZ-UHFFFAOYSA-N 266.329 3.615 30 20 CHED CC(C)(C(=O)Nc1cccc(CC#N)c1)C1CCC1 313459526 IZNUVDVSYBNYBY-UHFFFAOYSA-N 256.349 3.517 30 20 CHED C[C@@H]1CC(F)(F)CCN1c1ccc(C#N)c(Cl)c1 528205130 BPUKUWHAJKZALY-SECBINFHSA-N 270.710 3.836 30 20 CHED C=C(CC)CS[C@@H](CC)C(=O)NCc1ccccc1 581213549 MDNCQVIJCSTDFQ-HNNXBMFYSA-N 277.433 3.781 30 20 CHED N#Cc1ncccc1N1CCC(C2CCCCC2)CC1 708860348 HPHXRDVQUGZZGX-UHFFFAOYSA-N 269.392 3.750 30 20 CHED N#Cc1ccccc1NCc1nccc2ccccc12 841142749 ONQBNFKLDCNJAL-UHFFFAOYSA-N 259.312 3.719 30 20 CHED N/C(=N\C[C@H]1CCCCC(F)(F)C1)Nc1ccccc1 291901593 KZCFSACGGOICNZ-LBPRGKRZSA-N 281.350 3.629 30 20 CHED Cc1ccc([C@@H]2CCCCN2CC2(C#N)CCC2)o1 450440745 ZQMFVKFHYWUUNR-AWEZNQCLSA-N 258.365 3.809 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1OC 33907096 SHJRAEDYHUSHHR-ALCCZGGFSA-N 272.300 3.501 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)c(F)c2)cc1 37069968 DOEINOJBOZOIBQ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#CCCCOc1cccc(NCc2ccccc2)c1 37777482 PCQUEMHAQFKEKL-UHFFFAOYSA-N 266.344 3.981 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1 45404164 KCLPMHULRMCABZ-UHFFFAOYSA-N 284.384 3.672 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1ccc(C)cc1 46805202 YZNPRAYCUYFWHN-UHFFFAOYSA-N 277.433 3.653 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1sccc1C#N 52029444 LBMTYLRDKWCCJR-JTQLQIEISA-N 288.347 3.592 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccc(F)cc1F 57383592 ONUOOGQQPWJCOO-LLVKDONJSA-N 292.329 3.616 30 20 CHED C=C(Br)CN(Cc1ccccc1)C(C)C 57753638 QYXMNIOMXVDMFI-UHFFFAOYSA-N 268.198 3.806 30 20 CHED C=CCN(CC=C)CC(=O)Nc1ccc(Cl)c(Cl)c1 66215710 ZGSBQTQRGQDJRP-UHFFFAOYSA-N 299.201 3.606 30 20 CHED CCOc1cc(NC(=O)c2cccc(C#N)c2)ccc1C 66525943 FTGDWHDXDSKHDX-UHFFFAOYSA-N 280.327 3.518 30 20 CHED CCN(CC#N)C(=O)c1sc2cc(F)ccc2c1Cl 67687778 XEOTUNKZPAXBKA-UHFFFAOYSA-N 296.754 3.679 30 20 CHED N#Cc1cc(NCc2ccc3c(c2)CCC3)ccc1F 70498751 ZPCGINBUHDCJHN-UHFFFAOYSA-N 266.319 3.798 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCc2ccccc2[C@H]1CC 74644264 FZELZWGFKRNJDX-WMLDXEAASA-N 287.403 3.504 30 20 CHED CC[C@H](c1ccc(F)cc1)[S@](=O)CCCCC#N 78734967 DCFPGCYUYHZWQN-KDOFPFPSSA-N 267.369 3.719 30 20 CHED Cc1cc(C)c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)o1 79172977 CJYIBPYUODRXGN-LBPRGKRZSA-N 269.300 3.686 30 20 CHED N#C[C@@H](NC(=O)C=C1CCC1)c1ccc(Cl)c(Cl)c1 87338209 QFLUPSWVRPVXTK-CYBMUJFWSA-N 295.169 3.785 30 20 CHED CCCCCCCN1CCCC[C@H]1CCC(=O)O 88363021 YUMCBFXWBUHPBT-AWEZNQCLSA-N 255.402 3.676 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(SC)cc1 90451050 VNDIGIPBFAMBRA-CYBMUJFWSA-N 265.422 3.652 30 20 CHED C=C(C)COCCN[C@H](C)c1cccc(-c2ccncc2)c1 90451177 BWXMBPJCBBKFOX-MRXNPFEDSA-N 296.414 3.992 30 20 CHED N#Cc1cccc(Sc2ncnc3ccc(F)cc23)c1 92679494 VCPWFPDCPUCJNH-UHFFFAOYSA-N 281.315 3.792 30 20 CHED N#Cc1ccc(/C=C2/CSc3ccccc3C2=O)cc1 96792535 WHZUMVJYIZYXKU-ZROIWOOFSA-N 277.348 3.930 30 20 CHED N#Cc1cccc(OCCSCCOc2ccccc2)c1 97493032 UJQZRPQNWMKFNH-UHFFFAOYSA-N 299.395 3.749 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccc(F)c(C#N)c1 98053163 CCSALSJAJBHLAE-ALCCZGGFSA-N 295.313 3.911 30 20 CHED C=CCCCN1CCO[C@@H](c2ccc(Cl)cc2)C1 117873866 ZMHLJGBMSWLISP-OAHLLOKOSA-N 265.784 3.680 30 20 CHED C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccsc1 119564434 KTJGJSWEVYNZLD-VIFPVBQESA-N 274.320 3.501 30 20 CHED C#CCCCCC(=O)Nc1c(C)cc(N(C)C)cc1C 120318899 VBYCRTCNQJKEBL-UHFFFAOYSA-N 272.392 3.502 30 20 CHED Oc1nc2ccccc2cc1/C=N/C[C@H]1CC=CCC1 121236537 DOKSFQZMEFEFEM-HTMJNSLASA-N 266.344 3.716 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)Nc2nc3c(cc2C#N)CCCC3)C1 121949692 IOQPVDHRWXZHOO-CHWSQXEVSA-N 297.402 3.597 30 20 CHED CCc1nnc(Nc2ccc(SC)cc2)c(C#N)c1CC 124873233 OJYYKFRYYRSKOF-UHFFFAOYSA-N 298.415 3.939 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCCc1cccs1 131161806 WPVZWVYHAUSZOH-UHFFFAOYSA-N 299.395 3.994 30 20 CHED C=C(Cl)CNC(=O)CCSc1ccc(C)c(C)c1 134822824 KFERNVJMMBCUKZ-UHFFFAOYSA-N 283.824 3.654 30 20 CHED N#Cc1ccc(CN[C@@H]2CCSc3ccccc32)s1 135670810 LKBSMJMAKBPAGQ-CQSZACIVSA-N 286.425 3.946 30 20 CHED Cc1cnc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)s1 135775035 FKAHPOKPKUJINO-VXGBXAGGSA-N 271.389 3.735 30 20 CHED C[C@@H]1CC=CC[C@@H]1COC(=O)c1c(F)cc(C#N)cc1F 152270529 DRALGSVUFRSAKX-ZYHUDNBSSA-N 291.297 3.596 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1c(C)cccc1C 155139568 QAZLTSZDTVPATJ-HNNXBMFYSA-N 274.408 3.528 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(Cl)cc1Cl 155435612 BLQVFRPOZRCRMS-VIFPVBQESA-N 286.162 3.807 30 20 CHED CCCCOc1cccc(NC(=O)N[C@H](CC)CC#N)c1 157258589 MRXJUEITNDDUGX-CYBMUJFWSA-N 289.379 3.679 30 20 CHED C=CCOc1ccc(/C=C/c2ccncn2)cc1Cl 157352724 KSYWUCKQRQTYMG-HWKANZROSA-N 272.735 3.865 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[C@H]1C 158177372 AKBGMWGUXGPNQT-ZIAGYGMSSA-N 299.418 3.998 30 20 CHED CCC(C)(CC)C(=O)Nc1nc(C)c(SCC#N)s1 158886110 ZUGXDJOVSLKOME-UHFFFAOYSA-N 297.449 3.832 30 20 CHED C=CCC[C@@H](NCCOCC1CC1)c1ccccc1 159986358 JDHJLACCSBYNBW-QGZVFWFLSA-N 259.393 3.710 30 20 CHED CC[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 162869631 FUBWHLMAYAPLPW-LBPRGKRZSA-N 262.784 3.834 30 20 CHED N#Cc1ccccc1/C=C/c1nc(-c2cccs2)no1 171782427 CYPSRWCEQVLIFG-BQYQJAHWSA-N 279.324 3.840 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(CC#N)c1 172395380 AYZJTTRIJVTDSW-KMFMINBZSA-N 282.387 3.546 30 20 CHED C=CCOc1ccc(Oc2ccnc(C(C)C)n2)cc1 172786149 YHAWDORAFUUSSD-UHFFFAOYSA-N 270.332 3.957 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(N(C)C)cc2)c1 172816380 MTXUPPJFPQIARZ-KPKJPENVSA-N 295.382 3.795 30 20 CHED COc1ccc([C@H](C)CC(=O)Oc2ccc(C#N)cc2)cc1 175501110 CBORWNADISDTRQ-CYBMUJFWSA-N 295.338 3.666 30 20 CHED C=CCCCC(=O)Oc1ccc(CC=C)cc1OC 175606269 ATHOPZBOWNVLHG-UHFFFAOYSA-N 260.333 3.685 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cc(C#N)cs2)cc1 176839771 BZDYOTQIEGOWJK-BQYQJAHWSA-N 283.352 3.915 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)c2cc(C#N)cs2)C1 177108028 COZHDUCZGAHIRE-GFCCVEGCSA-N 276.405 3.518 30 20 CHED C=CCSCc1cc(=O)oc2c(C)c(C)ccc12 177746948 QKLNKXHLYDXMFR-UHFFFAOYSA-N 260.358 3.829 30 20 CHED CCN(C(=O)C[C@H](C)SC)[C@H](C)c1ccc(C#N)cc1 179259130 BNCLLQNTQMPPQC-QWHCGFSZSA-N 290.432 3.609 30 20 CHED COc1cc(F)cc(CN[C@@H](C)c2ccc(C#N)cc2)c1 180294768 CZYBUKRCWHIWET-LBPRGKRZSA-N 284.334 3.557 30 20 CHED CC1(C)CCC(NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 181089919 ZHTBOERHLQKKMY-UHFFFAOYSA-N 296.414 3.940 30 20 CHED C[C@@H](NCC#Cc1ccc(Cl)cc1)c1cccc(O)c1 181580759 SOJQAZBRWFRLDR-CYBMUJFWSA-N 285.774 3.748 30 20 CHED C[C@@H](OC(=O)C1(C#N)CCCCC1)c1nc2ccccc2o1 181709282 HJHBVKKGWPUIPO-GFCCVEGCSA-N 298.342 3.906 30 20 CHED CCCCOc1cc(CN[C@H](CC)CC#N)ccc1OC 184090115 CQZAFDITQKJBGC-OAHLLOKOSA-N 290.407 3.656 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)cc1OCC 185221495 KOVPSOVRXOGCHT-UHFFFAOYSA-N 259.349 3.526 30 20 CHED C#CCC(C)(C)C(=O)N1CCC[C@@H](c2ccccc2)CC1 185439943 RMXVPADRDIYDSY-QGZVFWFLSA-N 283.415 3.832 30 20 CHED C=C(C)[C@@H](N[C@H]1CCN(C)[C@H](C)C1)c1ccc(F)c(F)c1 186450934 CZBVJZVBPVHICV-HACGYAERSA-N 294.389 3.654 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cc(F)c(F)c(F)c1 187511248 KCNWZIXMAVMDNU-UHFFFAOYSA-N 298.308 3.648 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(C(C)C)s1 188566067 LJWDMTJBRBLOHP-CYBMUJFWSA-N 252.383 3.807 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccc(Br)o1 188739741 PDZOAKHLWHZGFZ-ZJUUUORDSA-N 272.186 3.732 30 20 CHED C=CC[C@H](C(=O)NCC(C)(C)CCOC)c1ccccc1 189094378 ATHMPLWLWLNSBJ-INIZCTEOSA-N 289.419 3.525 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1cccc(Cl)c1 189878721 PHVUSEANNMIHQO-OAHLLOKOSA-N 265.784 3.601 30 20 CHED C#CCCCC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 192154668 ZRJHNLQDHKAXBJ-UHFFFAOYSA-N 282.343 3.700 30 20 CHED C=CCCCCCS[C@@H](C)c1nc(COC)no1 192546326 FMLHYCGKLGCDDH-NSHDSACASA-N 270.398 3.757 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1c(F)cccc1F 193784411 WJQCJIRUTCUWII-JTQLQIEISA-N 266.287 3.619 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 230003340 BSGUPIARCIBNCY-LLVKDONJSA-N 284.746 3.954 30 20 CHED C=C(CC)COc1cc([N+](=O)[O-])ccc1Br 230402039 AROVGPDGBFKBCT-UHFFFAOYSA-N 286.125 3.702 30 20 CHED COc1cc(C#N)cc(OCc2cc(F)ccc2C)c1 234977229 RQRLSASEFJZRBS-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C[C@H](NCc1ccc(F)c(C#N)c1)c1ccsc1 235501152 OLFLQUBIMUHMNQ-JTQLQIEISA-N 260.337 3.610 30 20 CHED CC(=O)Nc1cccc(CON=Cc2ccc(C)cc2)c1 255188099 COBQNKBNWUGMCQ-UHFFFAOYSA-N 282.343 3.504 30 20 CHED O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccc(O)cc1 255495084 ZJEBMOSTHPBKOL-DAXSKMNVSA-N 298.729 3.589 30 20 CHED N#CCOc1ccc(CN2CCC[C@@H]2c2cccs2)cc1 264089135 FPMWYZFTFKUFKV-MRXNPFEDSA-N 298.411 3.988 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cccc(OCC#N)c1 266400806 QNIVMXGTRRTHGJ-UHFFFAOYSA-N 289.379 3.679 30 20 CHED C[C@H](N[C@H](C)C[C@@H](O)c1ccccc1)c1ccc(C#N)cc1 271833367 FIBHFKWOTCRLEO-ZRGWGRIASA-N 294.398 3.721 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H]2c2ccncc2)c1C#N 273357099 QDLWRRUHLSXGEV-OAHLLOKOSA-N 298.777 3.652 30 20 CHED CC(C)(CC(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1 274386560 ZPCQZVWNYVCKNT-GOSISDBHSA-N 286.419 3.799 30 20 CHED C=CCCCCNC(=O)[C@@H](C)CC(=O)c1ccccc1F 274674229 RVRVBFLDKIKLCF-ZDUSSCGKSA-N 291.366 3.507 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cccc(OC)c2)CCC1 276575391 MLKROHWHNKMVJS-CYBMUJFWSA-N 273.376 3.619 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1ccccc1Cl 278665500 FOQHWYDLSAQRFC-JTQLQIEISA-N 265.740 3.884 30 20 CHED C[C@@H](CC#N)Nc1nc2cc(Cl)cc(Cl)c2o1 278967798 YXWSFKXIVUICIP-LURJTMIESA-N 270.119 3.849 30 20 CHED C[C@H](SCc1cccc(C#N)c1)C(=O)OC(C)(C)C 281241757 VGACVCLUPPETKJ-NSHDSACASA-N 277.389 3.522 30 20 CHED Cc1cc(OC(=O)[C@@H]2CCCC(F)(F)C2)ccc1C#N 282939210 UPVJUHHJQDASFK-LLVKDONJSA-N 279.286 3.598 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccco1 285699104 OYUVWLYSKDFCQV-JKSUJKDBSA-N 289.350 3.749 30 20 CHED CCS[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 286090880 KPGJYUVZAXKPKB-APHBMKBZSA-N 274.433 3.883 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1c(F)cncc1F 286692628 ZBZJLHWIMDRTOU-NSHDSACASA-N 284.350 3.898 30 20 CHED CCC(CC)(CNC(=O)CCCC#N)c1ccccc1 292259940 WDVSGBSYHVCXCC-UHFFFAOYSA-N 272.392 3.554 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)CC(C)(C)C1CC1 293538761 RVILJNHWDSLQJE-GFCCVEGCSA-N 286.375 3.742 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 295550092 PFYAFXVPTAKJIR-UHFFFAOYSA-N 279.290 3.651 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1nc(C(C)(C)C)cs1 301264760 HIFNDICDZYFSMT-SNVBAGLBSA-N 286.404 3.880 30 20 CHED C=CC1CCN(c2ccnc3cc(F)ccc23)CC1 301297772 WGXYRFIZQLWQHX-UHFFFAOYSA-N 256.324 3.776 30 20 CHED C=C[C@H](C)Nc1ncnc2sc3c(c12)CCCC3 301586383 BGLICSGILFCGTM-VIFPVBQESA-N 259.378 3.557 30 20 CHED N#Cc1cccc(C#N)c1N1CCC[C@@H]1c1cccs1 302491364 ZDKGUPIREFAUSL-CQSZACIVSA-N 279.368 3.833 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC(F)(F)C2)cc1 306010250 OQZCSNMZUAQTHO-LBPRGKRZSA-N 250.292 3.796 30 20 CHED C#C[C@H](NCc1csc(Br)c1)C(C)(C)C 309078687 NGINNCUCTUDBIF-JTQLQIEISA-N 286.238 3.648 30 20 CHED CC(C)(C)CCCNc1ccc(C#N)cc1[N+](=O)[O-] 313479807 IVEHVIDHJPXSJH-UHFFFAOYSA-N 261.325 3.705 30 20 CHED O/C(=N/Cc1nccs1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 328781825 FXCLLMQWHYVORT-YNEHKIRRSA-N 293.436 3.506 30 20 CHED Cc1ccc(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(O)n1 328873501 FFPKSZJPEXMDRV-MELADBBJSA-N 288.391 3.759 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)Nc2scnc2C2CC2)C1 328926255 OSQRJUJFTGDOEH-KOLCDFICSA-N 279.409 3.925 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2CCC[C@H]2C)c1C1CC1 328951682 XIRBGGKBQUYBCO-NWDGAFQWSA-N 290.411 3.761 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2ccc3ccn(C)c3c2)CCC1=O 328953539 YBAAPALYIPVVJC-YPMHNXCESA-N 284.359 3.772 30 20 CHED OC(C[C@H]1CCOC1)=Nc1cccc(N=C(O)C2CC2)c1 329862260 YMEWNXVBFRZJMF-LLVKDONJSA-N 288.347 3.699 30 20 CHED Cn1cc(Nc2cccc(/C(O)=N/C3CCCCC3)c2)cn1 330045203 GHLZGRUKJCHYPR-UHFFFAOYSA-N 298.390 3.801 30 20 CHED CC(C)CC/N=C(/O)c1ccc(Cl)c(N)c1Cl 330949223 IYHWILOIKCLWTK-UHFFFAOYSA-N 275.179 3.926 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 331410538 FXXNMCMKHARGDZ-ZIAGYGMSSA-N 287.407 3.530 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc3ccccc3n2)CC12CCCC2 333230708 UMFGVHFZYONHRL-GOSISDBHSA-N 291.354 3.647 30 20 CHED Cc1cc(Cl)c(NC(=O)N(C)CC(C)(C)C#N)cc1C 334702651 NVEDSZULMFQRGA-UHFFFAOYSA-N 293.798 3.970 30 20 CHED N#Cc1csc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 334937077 SKQXLFURIWHBRG-KRWDZBQOSA-N 293.395 3.659 30 20 CHED N#Cc1ccnc(SC[C@@H]2CCC3(CCCC3)O2)c1 336347584 QBIDUFKOFNXSLJ-ZDUSSCGKSA-N 274.389 3.537 30 20 CHED Cc1nc(N2CCC[C@H](C)[C@@H]2C)c(Cl)cc1C#N 336786466 CASFPFHCMIUWJZ-ONGXEEELSA-N 263.772 3.540 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(F)cc1 341756595 FULNIJUBNDNOPV-SFHVURJKSA-N 280.346 3.865 30 20 CHED CC(C)(CCC#N)CNCc1ccc(F)c2cccnc12 342304695 PMAOKARSTALGPV-UHFFFAOYSA-N 285.366 3.793 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@@H]2CCCC[C@H]2C)no1 346399815 FSLYBWZBKFLIIR-MQYQWHSLSA-N 276.380 3.812 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc2c(c1)oc1ccccc12 347065662 JVZYPSMUGFZBTD-JTQLQIEISA-N 264.284 3.684 30 20 CHED C[C@@H](CCc1ccsc1)NCC(C)(C)CCC#N 348248089 WDBGRNOJOMLKDV-ZDUSSCGKSA-N 264.438 3.989 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCc3c(Cl)cccc32)C1 349426726 XCAPWVCJQGQSAB-JRPNMDOOSA-N 260.768 3.609 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 352103080 YAJPNYOZFMETOQ-MAUKXSAKSA-N 284.403 3.855 30 20 CHED CCN(CC(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 354424081 MCPMPHADYRREQC-UHFFFAOYSA-N 272.392 3.606 30 20 CHED N#Cc1ccc(SCc2ncoc2C2CC2)cc1 356190058 MWEVGIQASHSBFU-UHFFFAOYSA-N 256.330 3.716 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc2n[nH]cc2c1 356646229 CEKKVPQFZYRGEE-GFCCVEGCSA-N 283.375 3.509 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccc3ocnc23)cc1 357385424 RZUPMAHDZDHGAP-UHFFFAOYSA-N 294.310 3.645 30 20 CHED N#Cc1cccc(NC2(CCOCc3ccccc3)CC2)n1 357524558 CFRMPVAWIYEZJI-UHFFFAOYSA-N 293.370 3.505 30 20 CHED CSCCCN(C)c1cc(C#N)ccc1C(F)(F)F 357681616 QJNQUTVIRJSIJV-UHFFFAOYSA-N 288.338 3.766 30 20 CHED N#Cc1ccc(N2CC3(CCC3)c3ccccc32)nc1 357874568 JSTDXTMXECHAHZ-UHFFFAOYSA-N 261.328 3.527 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnn(CC(C)C)c1C1CC1 359744184 FYWBOQHBJHZLCA-KRWDZBQOSA-N 289.423 3.957 30 20 CHED C=C(Cl)CNCc1cc(-c2ccncc2)ccc1OC 364311432 BUDYBGBVFBHJDI-UHFFFAOYSA-N 288.778 3.599 30 20 CHED CO[C@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 371725816 FIFKJBMUZVCDRC-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED CCCCCCCC(=O)N1CCCC2(CCOCC2)C1 377818593 JOFZRJNJQNIGRB-UHFFFAOYSA-N 281.440 3.766 30 20 CHED CCCCCCCCN1C[C@H](C(=O)O)CC[C@H]1C 397022514 IKQDUGNKBQGBEC-ZIAGYGMSSA-N 255.402 3.532 30 20 CHED N#CCc1cccc(NCC[C@@H]2CC2(Cl)Cl)c1 399027296 IBIZQZYPFMKMMZ-LLVKDONJSA-N 269.175 3.748 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C/C=C\c1ccc(C)cc1 410826750 JBAOIRQUVCTOEM-GMNBZTITSA-N 270.376 3.549 30 20 CHED CC1(C)CC(CC(=O)Nc2ccccc2CC#N)C1 410830983 XMAFSSHNLCVDCD-UHFFFAOYSA-N 256.349 3.517 30 20 CHED C[C@@H](C#N)N(C)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 410883619 OAHGKZSQEXDZLG-FCCIYARUSA-N 288.435 3.744 30 20 CHED C=CCCC(=O)Nc1scc(C(C)(C)C)c1C#N 410931015 SADJXYNLHRTZJZ-UHFFFAOYSA-N 262.378 3.822 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)C1(C#N)CCCCC1 412802993 BLXZONVSGZIZGR-ZIAGYGMSSA-N 276.424 3.791 30 20 CHED Cc1cc(C)c(C#N)c(S[C@@H]2CCOC(C)(C)C2)n1 412978978 PHTOESNHZJSUBS-GFCCVEGCSA-N 276.405 3.620 30 20 CHED CC[C@@H](N[C@@H](C)C1(OC)CCC1)c1ccc(C#N)cc1 414312504 WPSHZDYXXKCJNN-XJKSGUPXSA-N 272.392 3.557 30 20 CHED COC(=O)c1ccc(CSCC2(C#N)CCC2)c(F)c1 419438009 NSKPYPQHGKNGGB-UHFFFAOYSA-N 293.363 3.539 30 20 CHED CC#CCCCc1nc(C2(c3ccccc3F)CC2)no1 420520908 YQQVLGOQZXSLNS-UHFFFAOYSA-N 284.334 3.635 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H](CC(F)F)c2ccccc2)C1 421378541 VKGZMCMDTNIVJX-BNOWGMLFSA-N 264.319 3.665 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 424325433 KTQZQIAEYQDUJU-NKKGCODLSA-N 272.367 3.744 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N(CCC#N)CC(C)(C)C 424640468 AYPNAHJIQHNHBE-KGLIPLIRSA-N 264.413 3.601 30 20 CHED CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 425092399 ZXZRAUVPAUPEBA-LLVKDONJSA-N 298.308 3.602 30 20 CHED Cc1cc(N2CCC(c3ccccc3)CC2)c(C#N)cn1 425209225 OJYBSKJQJPPYOZ-UHFFFAOYSA-N 277.371 3.646 30 20 CHED CCC1(CNC(=O)Nc2ccc(C#N)cc2Cl)CCC1 426145116 XXQXFRFEYFKDHK-UHFFFAOYSA-N 291.782 3.913 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2nc(N(C)C)ccc2c1 429804889 DXFZHGXEUBUGLG-UHFFFAOYSA-N 297.402 3.842 30 20 CHED CC(C)c1ccccc1NC(=O)N(C)CC(C)(C)C#N 432486308 UBAQGFQHOJGIOS-UHFFFAOYSA-N 273.380 3.823 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@@H]1c1ccccc1 436307791 LLAIKLDQXLUVHA-MKXGPGLRSA-N 285.431 3.894 30 20 CHED CCN(C[C@H](C)C#N)[C@H]1CC[C@](C)(c2ccccc2)C1 437581388 PIHJQNGFLABWMO-NJAFHUGGSA-N 270.420 3.978 30 20 CHED C=CCC[C@@H](NC[C@@H](c1cccc(F)c1)N(C)C)C1CC1 439078457 LKLGWPQKGBQDJK-MSOLQXFVSA-N 290.426 3.763 30 20 CHED CC[C@H](C)n1ncc(NCc2ccc(C#N)c(OC)c2)c1C 440625593 LPAYZWKHZHSDMR-LBPRGKRZSA-N 298.390 3.655 30 20 CHED CC[C@@H]1CN(Cc2cccc(C#N)c2)c2ccccc2O1 441344639 FIJSUCJZHLQAGS-MRXNPFEDSA-N 278.355 3.736 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc(-c3ccncc3)cc2)C1 442790137 ZLAQBRINLGJEFX-YJBOKZPZSA-N 277.371 3.530 30 20 CHED CCOc1cc(Cl)ccc1CN[C@H]1CC[C@H](C#N)C1 442819080 POTVZRDAAJGPDR-FZMZJTMJSA-N 278.783 3.521 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(C#N)c(OC)c2)C1 442888929 ICJZGBOPCBZANV-QGZVFWFLSA-N 272.392 3.579 30 20 CHED CC(C)(C#N)CCCCN[C@](C)(CO)C1CCCCC1 444642789 UOTMVWITAAENKI-QGZVFWFLSA-N 280.456 3.627 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1ccc(CC#N)cc1 445885549 LNTXEXCZBRIMLN-CQSZACIVSA-N 284.325 3.819 30 20 CHED CC[C@@H](NC[C@@H](C)N1CCC(C)CC1)c1ccc(C#N)cc1 447543963 UKHDWRRLBQMSCK-VQIMIIECSA-N 299.462 3.719 30 20 CHED C[C@H](C#N)CN(C)C(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 447803406 ADHAINZFHLSGBJ-RBSFLKMASA-N 293.455 3.640 30 20 CHED C=CCCCCCN1CCC[C@@]2(CCCCO2)[C@@H]1C#N 447902353 DXSYQLJXGUIBGU-IRXDYDNUSA-N 276.424 3.660 30 20 CHED Cc1cc(C)cc(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 447912428 JZAVWCFJAUXEOR-OALUTQOASA-N 298.430 3.731 30 20 CHED Cc1ccc(NC2CCC(C)(C#N)CC2)c(CN(C)C)c1 449054689 QWJHQEZLJBADCY-UHFFFAOYSA-N 285.435 3.941 30 20 CHED CC1(C#N)CCC(N[C@@H](CCCO)c2ccccc2)CC1 449154964 AGTIBDBWAUSOAL-ADKAHSJRSA-N 286.419 3.562 30 20 CHED C=C(C)CCNC1CC(c2cc(F)cc(F)c2)C1 449480804 ZUAJDOKTTZDJBE-UHFFFAOYSA-N 251.320 3.767 30 20 CHED C=CC(C)(C)CNCc1ccc(C)cc1-c1cnn(C)c1 449487579 ZHNABRICPYOKQY-UHFFFAOYSA-N 283.419 3.697 30 20 CHED CC(C)Oc1ccc2nccc(N(C)C[C@H](C)C#N)c2c1 450259690 XPLDCWDVINERDL-CYBMUJFWSA-N 283.375 3.618 30 20 CHED N#CCCN(CCC1=CCCCC1)Cc1ccccn1 450471421 KCKHELKDKURYHR-UHFFFAOYSA-N 269.392 3.688 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)no1 453071685 CZBVKGDESLLHKR-CPFSXVBKSA-N 294.141 3.845 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 453342597 INZGMKPVEPYMAG-QRVBRYPASA-N 296.414 3.649 30 20 CHED Cc1cc(CN[C@@H](C2CCC2)C2CC2)ccc1C#N 453619294 KAXOOPCFFPTPFI-KRWDZBQOSA-N 254.377 3.535 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2nc(C)sc2c1 454212296 AIHJZCQYFSWEOT-UHFFFAOYSA-N 275.377 3.692 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(COCC2CC2)c1 454585808 DUHRGFUXFIUZRP-UHFFFAOYSA-N 288.391 3.701 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 454896641 PJGYBNUEDJSLHU-UHFFFAOYSA-N 297.280 3.665 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1CCc1ccccc1 455308673 JYRXQZFFYOPQCN-QGZVFWFLSA-N 286.419 3.759 30 20 CHED C=CCC1(C(=O)N(C)c2ccccc2F)CCCC1 460050413 BVQMSFMPLRGRJE-UHFFFAOYSA-N 261.340 3.925 30 20 CHED CCCN(CC#N)C(=O)[C@@H](CC)C1CCC(C)CC1 460684112 MUFUNKIBXSWSFN-NRXISQOPSA-N 264.413 3.601 30 20 CHED C=C(CNC(=O)N(C)[C@H](C)CCCC)c1ccccc1 461417361 KDEHEQDVDBWNJT-OAHLLOKOSA-N 274.408 3.920 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)C1 462125161 BAOCEBSYDPTWSM-OEUWWYETSA-N 284.403 3.603 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)cc1)c1cccc(C#N)c1 462287694 DOFUIDHBOSJKRC-NSHDSACASA-N 284.746 3.954 30 20 CHED C=C[C@@H](C)NC(=O)c1oc2c(C)ccc(C)c2c1C 465104879 VGUNXJZVJUUEAO-LLVKDONJSA-N 257.333 3.662 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC)Cc1ccccc1C 466386051 AIFDCYIJSRZDNT-INIZCTEOSA-N 274.408 3.881 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1cccc(C#N)c1 470480016 NMKRVUCMIWJZJH-CYBMUJFWSA-N 270.376 3.647 30 20 CHED C=CCOCCCN[C@@H](c1cccc(C)c1)C(F)(F)F 470758599 YTCZJAFYPUBHQQ-AWEZNQCLSA-N 287.325 3.781 30 20 CHED C=CCOCCCN1C[C@H](C)C[C@@H]1c1cccc(OC)c1 470763902 DQADEDRXGDHAOI-CRAIPNDOSA-N 289.419 3.671 30 20 CHED C=CCOCCCN[C@H](C)c1ccc(Br)cc1 470764591 HQMSVDRZDYPPMP-GFCCVEGCSA-N 298.224 3.692 30 20 CHED C=CCCC1(C(=O)N2CCO[C@@H](C3CCCCC3)C2)CC1 476678640 SYUBNBAJEUGRQA-MRXNPFEDSA-N 291.435 3.541 30 20 CHED C=CCN1CCC(N[C@H](C)c2cc(C)ccc2C)CC1 482638566 QNXQWEQBLVZIKQ-MRXNPFEDSA-N 272.436 3.604 30 20 CHED CN(CCC1CCCCC1)C(=O)c1ccc(C#N)s1 487742991 USUQGTLXTWZKFJ-UHFFFAOYSA-N 276.405 3.662 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NC[C@@]3(C)CCCS3)c2c1 488083291 PONDRRLZZAGOEY-QGZVFWFLSA-N 297.427 3.534 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(SC)cc1 488853789 MOAWJMBOPWGKTI-CYBMUJFWSA-N 261.390 3.589 30 20 CHED CC(C)(C)c1nsc(Sc2ccc(C#N)cc2)n1 489330629 CDVIVZOXHKHZLJ-UHFFFAOYSA-N 275.402 3.858 30 20 CHED C=CC[C@@H](C(=O)N1CCC[C@@H](CC)C1)c1ccccc1 489720158 UGNCLLMRCIKMGE-NVXWUHKLSA-N 271.404 3.995 30 20 CHED CCCN(CC#N)C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 489940778 SUJHATGAWYOVPX-CABCVRRESA-N 284.403 3.738 30 20 CHED C#C[C@@H](NCc1scnc1C)c1ccc(Cl)cc1F 491266959 RKIKDVFLKKKSPW-CYBMUJFWSA-N 294.782 3.708 30 20 CHED C/C=C/C=C\C(=O)Nc1sc(C)c(CC)c1C#N 491466344 WADGQAPSAXBPMV-AQXDOAQYSA-N 260.362 3.561 30 20 CHED COc1cccc(CSc2ccc(C#N)cc2F)c1 502103005 KMCHASCKEKVDEU-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 502551323 KEZPTYYTBXBNCN-UWVGGRQHSA-N 264.756 3.832 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCC(C)(C)CC1 508897565 XZPKPFWSDQWINW-UHFFFAOYSA-N 290.455 3.679 30 20 CHED C=C(CN[C@@H](C)Cc1ccc(O)cc1)c1ccccc1 510280281 BESHUFVWTICDLM-HNNXBMFYSA-N 267.372 3.626 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@@H](C)CCC)c1 510989243 ZINHEJGLFRTVFZ-ZDUSSCGKSA-N 276.380 3.904 30 20 CHED Cc1cc(Cl)cc(CN2CCC(C)(C#N)CC2)c1 512334194 NHSCLYCTGKTEND-UHFFFAOYSA-N 262.784 3.774 30 20 CHED C=CCC[C@H](NCCOC1CCCC1)c1ccco1 513654094 HAMJTZDGOGWUQU-HNNXBMFYSA-N 263.381 3.836 30 20 CHED C[C@@H](COc1ccc(Cl)c(Cl)c1)NCC1(C#N)CC1 519865626 REKBEBRGCSVLEY-JTQLQIEISA-N 299.201 3.654 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](c1ccc(C)cc1)C1CC1 522653860 XWSWIMVINVARBI-XJKSGUPXSA-N 272.392 3.710 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 523944059 XUVWBOGBGLXMPO-CWRNSKLLSA-N 272.392 3.587 30 20 CHED C=CCCCSc1nc2ccccc2c(=O)n1C1CC1 524229061 IBDMTPSCCTYRTQ-UHFFFAOYSA-N 286.400 3.790 30 20 CHED CC1(C)CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 526946844 IBGPFDDQTXEXOP-CYBMUJFWSA-N 290.794 3.910 30 20 CHED C[C@@H]1CC(F)(F)CCN1CCC1(C#N)CCCCC1 528775784 ZHKDLNDYGZAUCJ-CYBMUJFWSA-N 270.367 3.970 30 20 CHED N#C[C@H](NC(=O)[C@@H]1CC12CCCCC2)C1CCCCC1 532418486 ILUUMXXHILTONJ-GJZGRUSLSA-N 274.408 3.545 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc2ccncc12)OCC 535910140 LLQJHLKRDVUZMN-MRXNPFEDSA-N 284.359 3.545 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1cc(C#N)cs1 537625634 LVTNFNDMWHGDHT-NSHDSACASA-N 286.375 3.878 30 20 CHED C=CCCOCCN[C@@H](C)c1cc(Cl)ccc1OCC 537952369 CBFDPYBNBHRZDT-ZDUSSCGKSA-N 297.826 3.982 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(-c2ccccc2)o1 539300168 UFGUMGITVPJPRK-CABCVRRESA-N 285.387 3.782 30 20 CHED C=CCCN[C@@H](COc1ccccc1)c1ccccc1 540419685 YPRAECHWRMJXIS-SFHVURJKSA-N 267.372 3.972 30 20 CHED C[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(C#N)c(F)c1 540711059 UEXUBWXSYAKXOJ-IXDGSTSKSA-N 294.373 3.979 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC(CC#N)CC1 542854064 NPINNVAARZEYGT-ZFWWWQNUSA-N 291.439 3.536 30 20 CHED C=CCOc1cccc(CNc2cnn(C(C)C)c2)c1 552027820 FUVXGZVBYVMZBE-UHFFFAOYSA-N 271.364 3.641 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN[C@@H]1CCc2ccc(C#N)cc21 558503775 CFMFZGKENOTLSV-NIKGAXFTSA-N 298.430 3.730 30 20 CHED COc1ccc(C[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)cc1 559105872 ITCKYVRSUMLDOI-FGTMMUONSA-N 298.430 3.642 30 20 CHED CCc1cccc(NC(=O)CSCC2(C#N)CCC2)c1 562824105 IYLGJPVYSVTWEO-UHFFFAOYSA-N 288.416 3.615 30 20 CHED C[C@@H](NC(=O)c1cccc(C2CC2)c1)c1ccc(C#N)cc1 563352683 KWCQNLYBCVEGES-CYBMUJFWSA-N 290.366 3.927 30 20 CHED C=CCCc1nc(C2(OCCC)CCCCC2)no1 564285604 DNBGIAPSDBEHKS-UHFFFAOYSA-N 264.369 3.774 30 20 CHED CC[C@@H](C)n1ncc(Nc2ncc3c(c2C#N)CCC3)c1C 564877550 BHIBGDQKIRUNTO-LLVKDONJSA-N 295.390 3.662 30 20 CHED C=CCCCCS(=O)(=O)Cc1nc2ccccc2s1 568486378 PUNFJQTYAJCVGY-UHFFFAOYSA-N 295.429 3.567 30 20 CHED N#Cc1cnc(CN(c2ccsc2)C2CCCCC2)nc1 574142937 KZYKSPOJVDLCML-UHFFFAOYSA-N 298.415 3.749 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCSC1 577091253 UVVJYLXVLPPIQU-MRXNPFEDSA-N 289.444 3.735 30 20 CHED Cc1cc(SC2CC(OC(C)C)C2)ccc1C#N 579230333 JHILEXOMJCAQMF-UHFFFAOYSA-N 261.390 3.915 30 20 CHED C=CCCCCNCc1conc1Cc1ccccc1 579849537 OTRGXLZADUGUFM-UHFFFAOYSA-N 270.376 3.711 30 20 CHED Cc1c(C(=O)/C=C\c2csc3ccccc23)cnn1C 588397260 KWUIWGSPUXJMSN-FPLPWBNLSA-N 282.368 3.839 30 20 CHED N#CCCCCCC(=O)NC1(c2ccc(Cl)cc2)CC1 588755729 UBRUEFBYKQIQTP-UHFFFAOYSA-N 290.794 3.919 30 20 CHED Cc1cc(C#N)ccc1CSCCOC1CCC1 588924614 WCSLSQKALBFQLL-UHFFFAOYSA-N 261.390 3.669 30 20 CHED C[C@@]1(C#N)CCCN(c2nc3cccc(F)c3s2)C1 590697160 JVYWJDCXISJAGQ-AWEZNQCLSA-N 275.352 3.565 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCC1CC(F)(F)C1 590780319 JBKYLAKHUHQSLX-MRXNPFEDSA-N 290.357 3.961 30 20 CHED C[C@H](CCC#N)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 591012294 MDWZHNAMTUKVSP-KBAYOESNSA-N 286.419 3.778 30 20 CHED CN(CCC(C)(C)C)C(=O)[C@@H](C#N)CCc1ccccc1 592836600 SKBGZBBUMGYSTA-MRXNPFEDSA-N 286.419 3.654 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 593397715 QTKYEZCSXOOOBD-FZMZJTMJSA-N 276.767 3.553 30 20 CHED CC[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 593576440 TULDDBAWQVEQJD-UONOGXRCSA-N 284.403 3.508 30 20 CHED C[C@@H](CCCC(F)(F)F)NCCc1ccc(C#N)cc1 595055633 HJICOCXAYORNPV-LBPRGKRZSA-N 284.325 3.811 30 20 CHED N#Cc1ccc(CCN2CCC(CC(F)(F)F)CC2)cc1 595477078 QFJFRTQHUOBGSW-UHFFFAOYSA-N 296.336 3.765 30 20 CHED C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](CC#N)C1 595613429 CQAMJACIQONTEP-STQMWFEESA-N 294.345 3.975 30 20 CHED CCCc1ccc(CN2CCC[C@H](CC#N)C2)cc1 595615031 OHAHESXGFSGVIV-MRXNPFEDSA-N 256.393 3.765 30 20 CHED Cc1ccc(C#N)nc1NC[C@H]1CCCO[C@@H]1C(C)(C)C 596130119 MIMHEKPRSSFQOL-HIFRSBDPSA-N 287.407 3.515 30 20 CHED CCCCn1ncc(Nc2nc(C#N)c(Cl)s2)c1C 596169565 IREMTNRTYKGCRW-UHFFFAOYSA-N 295.799 3.717 30 20 CHED CCCCc1noc([C@@H](C)SCC2(CC#N)CC2)n1 596343871 XNMUSYZWEFFGQY-LLVKDONJSA-N 279.409 3.900 30 20 CHED C[C@@H]1CCN(C(=O)CC2(C#N)CCCCC2)C[C@@H](C)C1 597432741 NPTRYIIBXOXTMT-CABCVRRESA-N 276.424 3.745 30 20 CHED Cc1ccc2ccnc(NC(=O)C3(C#N)CCCCC3)c2c1 597842697 PEJAZMRKODSGAC-UHFFFAOYSA-N 293.370 3.956 30 20 CHED CC[C@H](CC(=O)N(C1CC1)[C@H](C)C#N)c1ccc(C)cc1 598129855 ZRBDYDACWPUJJW-HUUCEWRRSA-N 284.403 3.782 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@@H]2CCCC[C@@H]2C)n1 598855291 XCGKVGCOSLNTPH-FZMZJTMJSA-N 285.391 3.725 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@H]2CCCCC2(C)C)n1 598859619 WMSSHUOAUHUOCO-CQSZACIVSA-N 285.391 3.725 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCc1ccoc1C 601894739 MCQSWYBHLSUTSJ-UHFFFAOYSA-N 290.407 3.866 30 20 CHED CC1(c2cc(C(F)F)nn2-c2ccc(C#N)cc2)CC1 601930143 BBXFUHMIQFNBJD-UHFFFAOYSA-N 273.286 3.733 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN(C[C@@H](C)CCC#N)CC3 602448722 OIVHHLWHYBSTEB-AWEZNQCLSA-N 281.403 3.774 30 20 CHED CCN(CC1(CC#N)CC1)[C@@H](C)Cc1ccsc1 602812864 RODBDVLHFDRUFY-ZDUSSCGKSA-N 262.422 3.695 30 20 CHED Cc1nc(S[C@@H](C#N)Cc2ccccc2)oc1C 603597719 SPTHEUKTJLSBKK-CYBMUJFWSA-N 258.346 3.518 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)s1 604028805 QGFSUWMKVZZAMJ-SDDRHHMPSA-N 288.416 3.947 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1ccccc1C#N 609566166 WWHBIHJHBLIOIA-OAHLLOKOSA-N 278.355 3.766 30 20 CHED Cc1cccc2c(N3C[C@H](C)S[C@@H](C)C3)c(C#N)cnc12 610282816 QUFWABCOHUDIFS-STQMWFEESA-N 297.427 3.745 30 20 CHED CC(C)(C)OCCCSCCOc1ccccc1C#N 610703473 JYOPRIUDAUMVHV-UHFFFAOYSA-N 293.432 3.875 30 20 CHED COc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)cc1C#N 610994754 PFXIDRACFWJWQW-LIRRHRJNSA-N 292.382 3.760 30 20 CHED Cc1ccc(CC(=O)N(CC(C)C)c2ccc(C#N)cc2)o1 611081397 OJWQSFJBRVZJAY-UHFFFAOYSA-N 296.370 3.691 30 20 CHED C=CCN(CC=C)C(=O)NCCCc1ccc(C)cc1C 611740473 VEHGXBOPHGNWEE-UHFFFAOYSA-N 286.419 3.620 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H]1C[C@H]2CC[C@H]1C2 618742287 LXJXAKLQPCRQLC-WIRVQXDCSA-N 266.388 3.571 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2cc(F)cc(F)c2)CCCC1 625698407 BMZVEMQNGUQBML-GFCCVEGCSA-N 293.357 3.857 30 20 CHED C=CCCN[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 639306474 DOGOTHKTTBEDTL-SJLPKXTDSA-N 270.420 3.520 30 20 CHED C=CCNC(=O)[C@@H](C)Nc1ccc(-c2ccccc2)cc1C 642195801 KOACVLZTNKQTFK-OAHLLOKOSA-N 294.398 3.765 30 20 CHED CCCC(C)(C)C(=O)Nc1ccc(C#N)cc1C(C)=O 650078536 AJEZUDIYHGSSES-UHFFFAOYSA-N 272.348 3.526 30 20 CHED C=CCOCCNC(=O)Nc1cccc(-c2ccccc2)c1 672845578 VHBDBWNQWIOYGO-UHFFFAOYSA-N 296.370 3.678 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCN(C2CCCCC2)C1=O 678601601 ZWBRUKLOWXBOKR-RDJZCZTQSA-N 292.467 3.645 30 20 CHED CCC1(C)CCN(c2snc(Cl)c2C#N)CC1 725790668 VZEKFOOZBYNDMJ-UHFFFAOYSA-N 269.801 3.685 30 20 CHED Cc1ccc(C(=O)N(CCC#N)C(C)C)cc1-n1cccc1 726533196 SBBHCQTXFDHVRW-UHFFFAOYSA-N 295.386 3.550 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(O)cc2)c2ccccc21 726740274 ARNRFJAVGZHFBX-FLIBITNWSA-N 277.323 3.780 30 20 CHED Cc1cc(C=NNc2cccc([N+](=O)[O-])c2C)cc(C)c1O 727972973 NNWKUWVDUDHGNI-UHFFFAOYSA-N 299.330 3.672 30 20 CHED Cc1ccc(OC(=O)CSc2ccc(C#N)cc2)cc1C 728454244 JZANSFMFWPSEBQ-UHFFFAOYSA-N 297.379 3.873 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 729267600 YTPYAWTWYJXKBU-UHFFFAOYSA-N 292.382 3.777 30 20 CHED CCc1cccc(C)c1NC(=S)NN=C(C)C(C)C 730574640 VBYPUOIYMFLEEG-UHFFFAOYSA-N 277.437 3.876 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1F 731489676 JFVNECSQQBISRV-GQCTYLIASA-N 274.266 3.875 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccc2c(c1)-c1ccccc1C2 732098797 SXLIXQUYKZQXTC-SFHVURJKSA-N 290.366 3.536 30 20 CHED C=CC[C@H](NC(=O)/C=C(/C)c1ccccc1)c1ccncc1 734234247 KFJXLNSJDSLNFI-OUFNUQFJSA-N 292.382 3.919 30 20 CHED CCC/C=C\C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 735209294 YOACXDOURNFWGB-DSYXLKISSA-N 297.383 3.738 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)/C=C/C1CCCCC1 735426069 NFSQOFGOFUWBSM-PKNBQFBNSA-N 299.370 3.999 30 20 CHED COc1cccc(O)c1/C=N\CCOC1CCCCCC1 735619825 RGRFROGDWNNFOM-AQTBWJFISA-N 291.391 3.559 30 20 CHED N#Cc1ccc(F)c(CNCc2nccc3ccccc23)c1 742382006 WZUHMTJNGWOPHG-UHFFFAOYSA-N 291.329 3.535 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C\c1ccc(F)cc1)C2=O 742436605 CPMKIPZNAJFVIF-OQLLNIDSSA-N 277.298 3.910 30 20 CHED C=Cc1cc(OC)c(OCc2ccccc2C#N)c(OC)c1 742463337 XAAREBFGIVUNDH-UHFFFAOYSA-N 295.338 3.797 30 20 CHED CCCCCCCCCN(C)Cn1ccnc1S 743357777 MXVQLEGSLKUXKW-UHFFFAOYSA-N 269.458 3.812 30 20 CHED CC#CCOC(=O)c1ccc(-c2nc3ccccc3s2)o1 744458925 NJEUMOZEVORIPO-UHFFFAOYSA-N 297.335 3.736 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](CN(C)CC2CC2)C1 746342911 GZHHARYAXBVTKJ-KRWDZBQOSA-N 294.483 3.537 30 20 CHED CC1=C(C(=O)O[C@@H](C)c2cccc(C#N)c2)CCC1 747231665 MKPWLMJLSGCDII-LBPRGKRZSA-N 255.317 3.663 30 20 CHED N#CCOc1ccc(CSc2ccccc2O)cc1 747808292 GZYHGDLJJRIOPN-UHFFFAOYSA-N 271.341 3.587 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)OCC(=O)c2cccc(C#N)c2)C1 748271898 XJOSBURNAMLNGG-UONOGXRCSA-N 299.370 3.501 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1sccc1C 748922166 GKVIRYMJPSWJHS-UHFFFAOYSA-N 271.341 3.594 30 20 CHED CCCCS[C@H](C)C(=O)OCc1ccccc1C#N 749341076 KHXIJXWASFCUDQ-GFCCVEGCSA-N 277.389 3.523 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)OCc2cccc(C#N)c2)C1 750248231 MXTBJNLHWHHWFA-ZIAGYGMSSA-N 271.360 3.818 30 20 CHED Cc1ccc(OC(=O)c2ccc(C#N)s2)c(Cl)c1 750714782 JRRJZADTROGQQO-UHFFFAOYSA-N 277.732 3.801 30 20 CHED CCCCCCCCCCNC(=O)c1cocn1 755485737 LABJLCKAJTYRAB-UHFFFAOYSA-N 252.358 3.545 30 20 CHED CC(/C=C/C(=O)c1ccc(O)cc1O)=C\c1ccccc1 757471617 HNTRQWOGKHCCLO-CWOSXULZSA-N 280.323 3.940 30 20 CHED C#CC[C@H](NC(=O)/C=C1/CC[C@@H](C)C1)c1ccccc1 757578896 MDMVVBKLNSPPKF-VKNHTBKNSA-N 267.372 3.614 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)cs1 757967565 JKDPOMPCKDVSKV-UHFFFAOYSA-N 290.775 3.545 30 20 CHED N#Cc1cccc(COC(=O)c2cc(Cl)cs2)c1 758756874 GZNLOQIZSASJKL-UHFFFAOYSA-N 277.732 3.630 30 20 CHED CCO[C@H]1CC(=NNc2ccc(F)cc2OC)C12CCC2 761886446 ZTKXRQRKDINPQR-HNNXBMFYSA-N 292.354 3.581 30 20 CHED C=CCCC1=NNC(=Nc2ccc(C)cc2C)SC1 762431775 NHPBUTSUIGZKTB-UHFFFAOYSA-N 273.405 3.950 30 20 CHED CC(=NOCC(F)(F)F)c1ccc(OC(C)C)cc1 764844052 FNYFRNHKEFHXAX-UHFFFAOYSA-N 275.270 3.777 30 20 CHED Cc1cc2ncn(CN3CCCC(C)(C)[C@H]3C#N)c2cc1C 766112445 QBMQQSWBUVFCNU-QGZVFWFLSA-N 296.418 3.625 30 20 CHED COc1ccc(NN=CC2Cc3ccccc3C2)cc1 766452262 DZSJLEGINOQRSU-UHFFFAOYSA-N 266.344 3.508 30 20 CHED CCON=Cc1c(C)nn(Cc2ccccc2Cl)c1C 767470195 RVFFSKOCNNDEDT-UHFFFAOYSA-N 291.782 3.572 30 20 CHED Fc1cc(F)c(C=NNc2c(F)cccc2F)cc1F 767784665 FKIVNDDVIUKZNG-UHFFFAOYSA-N 286.203 3.828 30 20 CHED C[C@H](CCc1ccc(O)cc1)NCc1cc(C#N)ccc1F 768519105 XYJRYPVZBCGXDD-CYBMUJFWSA-N 298.361 3.514 30 20 CHED Cc1ccc(C(=O)OCCCCC(C)(C)C#N)c(O)c1C 768630019 WIOKLNKXZXTGJZ-UHFFFAOYSA-N 289.375 3.886 30 20 CHED C#CCOc1ccc(NC(=O)c2ccccc2CC)cc1 770175223 QLBXWTNXPTVAJK-UHFFFAOYSA-N 279.339 3.513 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccc(F)c(C#N)c1)C2=O 770572745 JHROQRKNHQKOSZ-RIYZIHGNSA-N 293.297 3.665 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1CCO[C@@H]1C 770752376 OGLXCQCMQFQLMD-HUUCEWRRSA-N 269.429 3.668 30 20 CHED CC(=NNCC(C)C)c1cccc(-c2ccncc2)c1 771566066 DKTIRIQGYIRGCS-UHFFFAOYSA-N 267.376 3.718 30 20 CHED C#C[C@H](C)NC(=O)c1sc2cccc(Cl)c2c1Cl 772973269 SCWXMEJYROWEAD-ZETCQYMHSA-N 298.194 3.960 30 20 CHED COc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)ccc1C 773141428 ZRBKFIXINAKGHH-VMPITWQZSA-N 294.350 3.930 30 20 CHED CCOCCON=Cc1ccc(N(C)c2ccccc2)cc1 774440345 XHKAKOXJMVXXQM-UHFFFAOYSA-N 298.386 3.842 30 20 CHED Cc1c(C(=O)OCC2(C#N)CC2)cccc1-c1ccccn1 775873874 SCBUCGOYGVYDSA-UHFFFAOYSA-N 292.338 3.518 30 20 CHED C[C@@H](CC(=O)OCCC(C)(C)C#N)CC(C)(C)C 776376344 BUMNFFPGEIPARE-LBPRGKRZSA-N 253.386 3.932 30 20 CHED COc1ccc([C@@H](C)CC(=O)OCCC(C)(C)C#N)cc1 776394264 WESVEDZPSDIFES-ZDUSSCGKSA-N 289.375 3.672 30 20 CHED Cc1ccc(F)cc1C=NNc1ncnc2sccc12 777879255 IDKFVNVXHNHJHM-UHFFFAOYSA-N 286.335 3.585 30 20 CHED C=C(C)CN(C)C(=S)N[C@H](CC)c1cccs1 777918913 QLDCIILMAFUUDC-LLVKDONJSA-N 268.451 3.582 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(F)ccc1C)C2 777918969 ONWJPKBYBXVPFK-ZSOIEALJSA-N 282.314 3.965 30 20 CHED C=CC[C@@H](C(=O)OCCc1c(C)noc1C)c1ccccc1 778427644 NMABXLBUCLGYSQ-QGZVFWFLSA-N 299.370 3.737 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2OC(=O)c1c[nH]c(C#N)c1 779237322 TYFPSMCQRBBVDM-NHYWBVRUSA-N 280.327 3.600 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cnc(C2CC2)s1 779989599 XZBXXPNSKPFNAE-LLVKDONJSA-N 299.399 3.923 30 20 CHED Cn1ccc(/C=C\C(=O)c2cc3ccccc3s2)n1 780189392 ZHYGIBCYAARCJW-SREVYHEPSA-N 268.341 3.531 30 20 CHED CCn1cc(C(=O)OCC2(C#N)CCCC2)c2ccccc21 780534849 XVJVBOZTNNHJBF-UHFFFAOYSA-N 296.370 3.902 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc(CCC)cc1 782224052 HUOHGGHLLTUHJD-KRWDZBQOSA-N 275.392 3.806 30 20 CHED Cc1ccncc1/C=C\C(=O)OCCCCC(C)(C)C#N 786921519 FGZRRNRNUNEXGZ-SREVYHEPSA-N 286.375 3.667 30 20 CHED C=C(Cl)CNC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 787864117 AHUABHXSTNAWKK-UKRRQHHQSA-N 292.810 3.635 30 20 CHED C#CCOc1ccc(NC(=S)Nc2ccsc2)cc1 790323233 YOANLIGPMPGTGK-UHFFFAOYSA-N 288.397 3.569 30 20 CHED C=CCCCCC[C@H](C)NCCC(=O)N1CCCCC1 793522340 NAAIEMMSNJWRSZ-INIZCTEOSA-N 280.456 3.504 30 20 CHED COCCN(C)N=C1CCCSc2ccc(Cl)cc21 794966573 UQVPHYCAVGDVCL-UHFFFAOYSA-N 298.839 3.508 30 20 CHED Fc1cccnc1NN=Cc1cccc(-c2cccnc2)c1 794980905 RQNSGXZTFYJYGI-UHFFFAOYSA-N 292.317 3.729 30 20 CHED Cc1cccc2c1C/C(=C\c1cn(C(C)C)nc1C)C2=O 798370184 FSLWOSFXPDFZDF-RIYZIHGNSA-N 280.371 3.903 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1cnc(C2CC2)s1 799444177 MIDQQVIJMDBVHB-UHFFFAOYSA-N 298.367 3.674 30 20 CHED COc1cccc2c1CC/C(=C/c1ccc(Cl)nc1)C2=O 799502708 PPEKLOWUAWFTKC-XFXZXTDPSA-N 299.757 3.956 30 20 CHED C=C[C@@H](CC(=O)OC[C@@H](F)C(F)(F)F)c1ccccc1 800191011 QVBUQCQBSJZEEX-CMPLNLGQSA-N 290.256 3.790 30 20 CHED FCCC[C@H]1CCCC1=NNCCc1ccccc1F 800814276 LNPMCJIBABLGOE-CQSZACIVSA-N 280.362 3.864 30 20 CHED CC[C@](C)(C#N)C(=O)OCCCc1ccccc1Cl 803781713 GCABCMGQOBJFTJ-OAHLLOKOSA-N 279.767 3.756 30 20 CHED C[C@@H](OC(=O)c1cnccc1C#N)c1cccc(Cl)c1 805714954 KCMQQFBTUKMDOF-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)CCCCCC#N)[C@H](C)C1 805885601 ZPSNWMGNMKUTAZ-MGPQQGTHSA-N 251.370 3.828 30 20 CHED C#Cc1cncc(C(=O)N[C@@H](C)CCC2CCCCC2)c1 806867230 PAIFIFIIPJENDS-AWEZNQCLSA-N 284.403 3.542 30 20 CHED C#CCN(C(=O)c1sc2cc(F)ccc2c1C)C1CC1 807253408 UOWHLQVMEWADNX-UHFFFAOYSA-N 287.359 3.587 30 20 CHED Cc1csc(NC(=O)/C=C\c2ccccc2F)c1C#N 809004620 DEJJJDOKQAHUDF-SREVYHEPSA-N 286.331 3.719 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C/c2cnccn2)cc1 809154411 UXMYORSDNZUTHO-VMPITWQZSA-N 284.384 3.873 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C/c2ccccc2)cc1 809257390 KLQZRMHOTGYVAZ-HGZMWJMZSA-N 290.366 3.643 30 20 CHED C=CCCCCOC(=O)[C@H](C)c1cccc(OC)c1 811010990 KMQFYXSVTHFWFX-CYBMUJFWSA-N 262.349 3.698 30 20 CHED C=CCCCCOC(=O)CCC(=O)c1ccc(C)s1 811013405 UDVRIQGNHHMLBV-UHFFFAOYSA-N 280.389 3.919 30 20 CHED CC(C)OC[C@@H](OC(=O)CCCC#N)c1cccc(F)c1 813087707 XBMVKHSGVJAJEG-OAHLLOKOSA-N 293.338 3.529 30 20 CHED C#CCCCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 813859612 XBHJCSXEDIHKBF-MAUKXSAKSA-N 289.394 3.687 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)o1 814120057 LZFOKBHVPDOXJA-KRWDZBQOSA-N 294.354 3.547 30 20 CHED COc1cccc(/C=N\[C@H]2C[C@H](c3ccc(F)cc3)C2)c1O 814183006 BQCZNXQHDQSXOT-DFMICKTPSA-N 299.345 3.905 30 20 CHED CO[C@H]1C[C@H](c2ccccc2)CCC1=NNc1ccccn1 814730936 UYRVGWIWBSRLLQ-WBVHZDCISA-N 295.386 3.832 30 20 CHED CCC(=NNc1cc(F)cc(OC)c1)c1cccc(N)c1 814870628 LTARXSHNRCEUSN-UHFFFAOYSA-N 287.338 3.643 30 20 CHED CCOC1(CNc2cc(C#N)ccc2C(C)=O)CCCC1 814911387 FIHDMRDAZNXFML-UHFFFAOYSA-N 286.375 3.522 30 20 CHED C#CCN(C[C@@H](O)c1cc2ccccc2o1)C1CCCCC1 815028070 PQELDULGKRNVQY-QGZVFWFLSA-N 297.398 3.734 30 20 CHED C#Cc1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)cn1 815699967 QPEMSEHTRDKIFX-UHFFFAOYSA-N 299.692 3.572 30 20 CHED Cc1cccnc1NN=C1CCCCc2ccc(N)cc21 817327282 DMRQHOQLSHFLKZ-UHFFFAOYSA-N 280.375 3.515 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 819502172 PZDPHSWVWMCXLK-ZDUSSCGKSA-N 274.408 3.532 30 20 CHED CC(=NNc1cc(Cl)nc(Cl)c1)C1CCOCC1 819828344 AKFVFQWEXDSKPE-UHFFFAOYSA-N 288.178 3.603 30 20 CHED CCO[C@H]1CCCC1=NNc1cc(Cl)nc(Cl)c1 819829032 ZDYGHHKVJSBMTK-JTQLQIEISA-N 288.178 3.745 30 20 CHED C[C@H]1CCCN1C(=O)Nc1scc(C(C)(C)C)c1C#N 821482164 QMPULOFKPHVIDO-JTQLQIEISA-N 291.420 3.933 30 20 CHED N#Cc1c(Cl)cccc1N1CC[C@H](c2ccccn2)C1 828081313 UDFHRPDFQOPPSY-LBPRGKRZSA-N 283.762 3.601 30 20 CHED C[C@@H]1O[C@H](C)CC1=NNc1ccc(C#N)c(C(F)(F)F)c1 834952208 MUTZRCLSYFYXDU-BDAKNGLRSA-N 297.280 3.542 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1O2 834969790 WIVISVZQZIMGME-VNHYZAJKSA-N 289.766 3.567 30 20 CHED C=CC(C)(C)C(=O)O[C@H]1CCOc2c(C)cccc21 835342376 CNDXGGCDNYQHDH-ZDUSSCGKSA-N 260.333 3.574 30 20 CHED CC[C@H](C)[C@H](CC)OC(=O)c1ccccc1OCC#N 835587824 JOUIPPIIGOZNRP-JSGCOSHPSA-N 275.348 3.570 30 20 CHED C=C(Cl)CNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 836707398 OIAZFWOQWKNFQN-SECBINFHSA-N 291.700 3.835 30 20 CHED C[C@@H](C#N)OCCN1CC2(CCCC2)[C@@H]1c1ccccc1 839127806 YMGLXGKMZQHMNK-RDJZCZTQSA-N 284.403 3.532 30 20 CHED CC[C@@H](C/N=C\c1cc(OC)ccc1O)CC(F)(F)F 840710274 IQDXBGYBAWWAOU-PQQLAPNWSA-N 289.297 3.798 30 20 CHED CC(C)(C)c1ncc(/C=C2/Cc3ccc(F)cc3C2=O)cn1 840715073 BEOTWPRDZHPWPS-MLPAPPSSSA-N 296.345 3.736 30 20 CHED CCc1nc(C(C)C)ccc1CSCCO[C@H](C)C#N 842183724 MYFJGAMAISAFQZ-CYBMUJFWSA-N 292.448 3.929 30 20 CHED C#C[C@@H](OC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C)c1ccccc1 842391132 ITLKEYNGJTYPIG-YSVLISHTSA-N 298.382 3.546 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)cc1 844152225 ARDYXFDJRYDVMR-WDZFZDKYSA-N 299.333 3.640 30 20 CHED C=C[C@@H](C)ON=CCN(C(=O)OC(C)(C)C)C(C)(C)C 844624757 JEFRQFGWLOGFMA-GFCCVEGCSA-N 284.400 3.599 30 20 CHED C=C(C)CONC(=O)N(CC)[C@H](CC)Cc1ccccc1 845602855 VTVFYSHWGGUDIC-MRXNPFEDSA-N 290.407 3.547 30 20 CHED C=C[C@H](C)ONC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 846548720 GQKGUZQYHAGAKX-USKTWTLRSA-N 299.292 3.731 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)C=C2CCCC2)cc1 847042084 DIVXDQNDJGYWRR-QGZVFWFLSA-N 282.387 3.772 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 847168716 OAEHXUOTXJDGIK-GXFFZTMASA-N 298.308 3.569 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)s1 849243063 FLYWKQPGMCBGSI-FNORWQNLSA-N 286.400 3.813 30 20 CHED Cc1ccc(C)c(NC(=S)N2CCC[C@@H](CC#N)C2)c1 849271567 NDMMQUHYNVOMTF-AWEZNQCLSA-N 287.432 3.626 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@@H](C#N)C1CCCCC1 849846164 JERAFNIEHQZMFH-ZFWWWQNUSA-N 269.360 3.920 30 20 CHED Cc1nc2c(C(=O)O[C@H](C)CC(C)(C)C#N)cccc2o1 851203588 CDFCLONFOCJGLS-SNVBAGLBSA-N 286.331 3.621 30 20 CHED C=CC(C)(C)CCOC(=O)C=C1CCSCC1 851299330 HFKXOGJAMLMRNF-UHFFFAOYSA-N 254.395 3.585 30 20 CHED C#C[C@@](C)(CC)NCc1cc(-c2ccccc2Cl)on1 852103333 DVENQVIIXGZLNX-INIZCTEOSA-N 288.778 3.887 30 20 CHED C=CCN(Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C 852552611 AYZDDSABABGHAU-UHFFFAOYSA-N 266.316 3.520 30 20 CHED CC[C@H](CON=Cc1ccccc1OC)CC(F)F 853638836 AXQIIWGIEZDUNE-NSHDSACASA-N 271.307 3.727 30 20 CHED C=CCCNC(=O)Nc1cccc(C2SCCS2)c1 854251861 VWYWOCQRTMLGEM-UHFFFAOYSA-N 294.445 3.863 30 20 CHED CCN(C(=O)/C(C)=C/c1ccc(Cl)cc1)[C@H](C)C#N 856074602 BFRQFPMQAJNLRM-LMMOQWNQSA-N 276.767 3.504 30 20 CHED C=CCCCC(=O)N1CCC2(C=Cc3ccccc3O2)CC1 856326298 WVHVKLHFOWAIDB-UHFFFAOYSA-N 297.398 3.810 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NNc1cccc(C)n1 863160265 XCMVHAYZOPKRPZ-UHFFFAOYSA-N 298.346 3.719 30 20 CHED CC(CCCc1cccnc1)=NNc1cccc(C)n1 863160811 RUMGKGRCJYAVPY-UHFFFAOYSA-N 268.364 3.596 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2cccnc21 886626800 LDEYJKJFPVAGHD-MSOLQXFVSA-N 289.382 3.608 30 20 CHED C=CC(C)(C)CC(=O)OCc1cccc(NC(=O)CC)c1 890314519 VBURKZJCLHWHQR-UHFFFAOYSA-N 289.375 3.681 30 20 CHED C=CCC1(O)CCN(Cc2ccc(C)c(Cl)c2)CC1 895834678 OKKVJNXTMQVEAV-UHFFFAOYSA-N 279.811 3.551 30 20 CHED C=CCC1(O)CCN(C(=O)[C@H](C)CCCCCC)CC1 899589483 XDBHQXUZIBRIQM-OAHLLOKOSA-N 281.440 3.523 30 20 CHED C=CCCC[C@H](NCc1ccc(C(C)(C)C)cc1)C(=O)O 900068176 ZQSTWSAGAGXVBX-INIZCTEOSA-N 289.419 3.883 30 20 CHED C=CCCC[C@@H](NCc1ccc(CCC)s1)C(=O)O 900068558 KLOXLFVZZOVFGP-CQSZACIVSA-N 281.421 3.600 30 20 CHED O=C(C1[C@H]2CCC[C@H]12)N(O)Cc1cccc2ccccc12 901370052 POWBUERZVMWVEX-HOTGVXAUSA-N 281.355 3.604 30 20 CHED C=C(C)CNC(=O)c1c(Cl)cccc1C(F)(F)F 907519293 WPFLEKABIDUWDZ-UHFFFAOYSA-N 277.673 3.665 30 20 CHED N#Cc1ccccc1/C=C\C(=O)NCCC1CCCCC1 914739254 YAWCBBLPVWCOMW-KHPPLWFESA-N 282.387 3.658 30 20 CHED CCOC(=O)Cc1ccc(C(=O)/C=C\c2ccccc2)cc1 915106170 MGZFCIYOWULUMI-RAXLEYEMSA-N 294.350 3.688 30 20 CHED CCCNN=Cc1sc2ccccc2c1Cl 915965248 KYSRGYPKBSLFFW-UHFFFAOYSA-N 252.770 3.888 30 20 CHED CCCNN=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 915965904 RIRKHNMKYBVJEC-UHFFFAOYSA-N 289.360 3.657 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CC2CC2)cc1 916947976 CZGUJTZHWQNQIH-MLGOLLRUSA-N 298.386 3.648 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1ccc[nH]1 918381458 YLQRMLNDFYDSBZ-ZDUSSCGKSA-N 250.386 3.741 30 20 CHED C[C@@H]1Cc2cc(CNC3CCC(C)(C#N)CC3)ccc2O1 922702146 VSFYHIUNIOEOTL-IMUUDWKMSA-N 284.403 3.572 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1csc(-c2ccco2)n1 925282283 FCCPZHLCHMLJCV-LLVKDONJSA-N 289.404 3.821 30 20 CHED Cc1nnc(-c2cccc(N[C@@H](C)CC(C)(C)C#N)c2)o1 926092971 JTEZLVJDDYZLHB-NSHDSACASA-N 284.363 3.785 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(-c2ccccc2)no1 926530681 JJCIKWYSHUSJFH-LXZKKBNFSA-N 298.386 3.726 30 20 CHED Cc1cccc([C@@H](O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 930764439 MXMZAHWTFGFHEF-BEFAXECRSA-N 294.398 3.593 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 935278789 RSHXTDBWDYQWIY-KBMXLJTQSA-N 281.440 3.689 30 20 CHED CON=Cc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 1117229639 CNJBFKMKWYWNEB-UHFFFAOYSA-N 293.326 3.692 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 1120813705 LBLIWLUYKLYARK-BRWVUGGUSA-N 293.451 3.785 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)[C@@H](C)CCC(C)(C)C 1123338283 ZQZWAUWQYZFZFT-STQMWFEESA-N 275.396 3.542 30 20 CHED Cc1cc(F)c(C(=O)Nc2scc(C)c2C#N)c(F)c1 1128754350 SXQGDNGFFTYEJK-UHFFFAOYSA-N 292.310 3.767 30 20 CHED C[C@H](CC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1144426005 HSQGYYIACCXKPY-CQSZACIVSA-N 278.355 3.885 30 20 CHED N#Cc1nc(Sc2ccccc2F)sc1Cl 1162055969 VWIOJJDPARMNKD-UHFFFAOYSA-N 270.741 3.958 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 1182498453 IQUBLRWFILIFIZ-WNRNVDISSA-N 268.404 3.680 30 20 CHED Cc1cc(C)c(/C=C\CN(C)C[C@H](C)C#N)cc1C 1204826544 LXAVBKPQRKLAIL-FMFIFOJESA-N 256.393 3.717 30 20 CHED COc1cccc2c1CC[C@@H](Nc1cc(C)cc(C#N)c1)C2 1206269591 CREJSMGSAXQQEG-MRXNPFEDSA-N 292.382 3.845 30 20 CHED CSc1ccc(/C=C/C(=O)O[C@@H]2CC[C@@H](C#N)C2)s1 1263386356 QRMYOISUJIISGC-JYBZGJHDSA-N 293.413 3.719 30 20 CHED CC[C@H]1CCC[C@H]1Nc1ncc(Cl)c(C)c1C#N 1307068686 JJBIKELCNBRXLW-GXFFZTMASA-N 263.772 3.906 30 20 CHED Cc1ccc(C=NNc2ccc(C(C)(C)C)nn2)s1 1318576408 VBYGMGWNFQYNJI-UHFFFAOYSA-N 274.393 3.590 30 20 CHED CC1(C)Cc2cc(/C=C/c3cc(C#N)ccn3)ccc2O1 1321297116 HMOVUUMPTSOYEO-HWKANZROSA-N 276.339 3.837 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)c1cnn(C)c1C 1322314337 CSQPYWAZGFSATO-KBPBESRZSA-N 263.429 3.904 30 20 CHED C#CC[C@H](NCc1ncoc1C(C)C)c1ccccc1 1323427550 KJGYIKRULUDXJB-HNNXBMFYSA-N 268.360 3.652 30 20 CHED C=CCCCc1nnc([C@H](C)Oc2ccccc2F)o1 1326961876 IBEBPOCYJGDMBP-NSHDSACASA-N 276.311 3.857 30 20 CHED CCCCCCCC(=O)Nc1c(F)ccnc1F 1327651002 ZCDBFEXTJUOFPN-UHFFFAOYSA-N 256.296 3.659 30 20 CHED N#CCOc1ccc(N[C@H]2CCCc3scnc32)cc1 1329744870 FZTQRVLTNJOCKJ-ZDUSSCGKSA-N 285.372 3.535 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C#N)C1CCCC1)c1ccccc1 1331552467 NBAWDMJCZTUWQM-YOEHRIQHSA-N 282.387 3.545 30 20 CHED C=CC[C@H](NCc1c(C)cc(Cl)cc1C)C(=O)OCC 1339092550 DBAUSHMAMZUGIR-HNNXBMFYSA-N 295.810 3.554 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1nc2c(s1)CCC2 1344539780 ARQUXSXIGATSNP-LLVKDONJSA-N 291.420 3.594 30 20 CHED C=CCC1(c2nnc(-c3ccccc3F)o2)CCC1 1348909108 OMSNZZVBZSFSIO-UHFFFAOYSA-N 258.296 3.874 30 20 CHED CCCCCC(C)(C)C(=O)[C@@H](C#N)c1nccn1CC 1349713749 GYPVDMZQJSPNHD-CYBMUJFWSA-N 275.396 3.686 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1349961534 OSOWCFLNRMMTSQ-LLVKDONJSA-N 284.746 3.954 30 20 CHED CC(C)[C@H](C(=O)O[C@@H](CC#N)c1ccco1)c1cccnc1 1350311381 KBHNPURIKAUAQT-HOTGVXAUSA-N 298.342 3.612 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2cccnc2c1 1457713928 MWINZXFKRKZZAB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1cc(F)c(CNc2ccc(CC#N)cc2)c(F)c1 1461082091 OHNDMFOZIBLXLR-UHFFFAOYSA-N 272.298 3.951 30 20 CHED Cc1csc(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1C#N 1476558959 NQZVEBAYRDNXBC-PWSUYJOCSA-N 291.420 3.971 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)[C@H](C#N)c1nccn1C 1515836416 KTKHKYFWOOCSCS-GJZGRUSLSA-N 287.407 3.593 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1ccc(Cl)cc1 1524376387 KOJWPOQZEFLUNK-UHFFFAOYSA-N 285.730 3.877 30 20 CHED CC1(C)C[C@]1(C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1 1528079455 BLDORUJEXLWRHK-URLQWDBASA-N 297.398 3.980 30 20 CHED CC1(C)C[C@]1(NC(=O)c1csc(C#N)c1)c1ccccc1 1533646745 NRKXYZQPSSHEHW-KRWDZBQOSA-N 296.395 3.675 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(C(F)F)cc2)ccc1F 1538663295 PVHRGPNTKJWHQL-UHFFFAOYSA-N 290.244 3.887 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n1 1538726443 RRQZMAWZNFSYDG-SHTZXODSSA-N 299.418 3.971 30 20 CHED Cc1nnc(S[C@H]2CC[C@H](C#N)C2)n1C1CCCCC1 1559316594 RYILJWYZNHWSQE-JSGCOSHPSA-N 290.436 3.876 30 20 CHED C=CC[C@H](Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)O 1588752440 WQQZJTXQAZWXGQ-WDEREUQCSA-N 291.244 3.701 30 20 CHED CCCC[C@H](S[C@@H](C#N)C1CCCCC1)C(=O)O 1595652653 WBUUHKURDPKYPU-STQMWFEESA-N 269.410 3.835 30 20 CHED Cc1nsc(NCC[C@@H]2CCc3ccccc32)c1C#N 1655525744 MJDLUHMEDSFVCN-ZDUSSCGKSA-N 283.400 3.855 30 20 CHED CC[C@@H](CCc1ccccc1)Nc1cccc(C#N)n1 1655675424 NHTGZVNVBWTCRJ-HNNXBMFYSA-N 265.360 3.777 30 20 CHED N#Cc1ccccc1OCCN1CCc2c(Cl)cccc21 1657682122 HZTMGFNFYUZRNS-UHFFFAOYSA-N 298.773 3.653 30 20 CHED O=C(O)c1ccccc1NN=C1CC2(C1)C[C@H]1CC[C@H]2C1 1776032241 VBGBGPKSXWMANJ-FAGLKTCQSA-N 284.359 3.753 30 20 CHED N#Cc1ccccc1CN1CC[C@@H]2CCCC[C@@H]2C1 35163410 FSIMXDFYCROOJS-GOEBONIOSA-N 254.377 3.570 30 20 CHED CN(Cc1ccccc1)c1c(C#N)cnc2ccccc12 36913188 CLLIVALOMHKYGB-UHFFFAOYSA-N 273.339 3.743 30 20 CHED N#C[C@H](NC(=O)CCC1CCCCC1)C1CCCCC1 40360193 PYIHOWDKZDGKMB-INIZCTEOSA-N 276.424 3.936 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2ccccn2)c(C)n1C(C)C 41493735 PPDVFVAUCFNUHB-OAHLLOKOSA-N 281.359 3.571 30 20 CHED CSc1ccccc1C(=O)N(C)Cc1cccc(C#N)c1 45243984 GKVIJUBQSODAEX-UHFFFAOYSA-N 296.395 3.552 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccc2ccccc2c1 47380284 WMRPOQYLROHHQP-CSKARUKUSA-N 276.339 3.778 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)n1 48787563 QSMLYSWYNQZHSW-GFCCVEGCSA-N 295.367 3.731 30 20 CHED N#CCCCOC(=O)c1ccccc1-c1ccccc1C#N 53920781 NJJBJQAEJKRCKJ-UHFFFAOYSA-N 290.322 3.686 30 20 CHED Cc1ccc(Oc2ccc(NC(=O)C(C)(C)C#N)cn2)cc1 55403632 SWIJKWLHSKIBOL-UHFFFAOYSA-N 295.342 3.671 30 20 CHED C[C@@H]1CN(CCOc2ccc(C#N)cc2)c2ccccc21 61074722 NUAGLEJZZBDPBH-CQSZACIVSA-N 278.355 3.561 30 20 CHED CC(C)(C)SCCNc1ccc(C#N)cc1F 66817342 KQNYPEZRFHYWNS-UHFFFAOYSA-N 252.358 3.641 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68768374 NTLNDSLTEOVRCU-HBNTYKKESA-N 297.185 3.515 30 20 CHED C[C@@H]1CCCC[C@@H]1NCc1ccc(N(C)CCC#N)cc1 72659592 ALJDFNYGZWAEJH-QAPCUYQASA-N 285.435 3.705 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)CCCSCC#N)c1 74989378 QTPIZNBCSDQGLY-OAHLLOKOSA-N 276.449 3.943 30 20 CHED CC(C)(C)c1csc(NC(=O)c2ccncc2)c1C#N 75296972 NEHOOXHLJKOPNY-UHFFFAOYSA-N 285.372 3.565 30 20 CHED CCC[C@H](C)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 75298562 PRDRHBOHLGFZFA-XIRDDKMYSA-N 284.403 3.721 30 20 CHED CC(C)(C#N)NC(=O)c1cccc(Oc2ccccc2)c1 77024585 GBESERALTYDDJY-UHFFFAOYSA-N 280.327 3.511 30 20 CHED C=CCN(CC=C)Cc1ncc(-c2ccc(F)cc2)o1 78636125 JRECRILCSQSJLG-UHFFFAOYSA-N 272.323 3.655 30 20 CHED Cc1occc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 80451079 IIOCBZLSTBVYRC-NSHDSACASA-N 274.345 3.658 30 20 CHED COc1cccc(CNc2ccc(Cl)cc2C#N)c1O 91479340 MWTBOXWZLIRINR-UHFFFAOYSA-N 288.734 3.538 30 20 CHED CCN(CC#N)Cc1cccc(OCc2ccccc2F)c1 92399115 KQCJOQHFQKOVDA-UHFFFAOYSA-N 298.361 3.750 30 20 CHED CC[C@H](NCc1cc(C#N)cs1)c1ccc(OC)cc1 93492141 OWRLKENRQNSFKF-INIZCTEOSA-N 286.400 3.869 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CS1 94471537 MWDDUGIUJMBWHT-WCBMZHEXSA-N 286.322 3.883 30 20 CHED CC(C)(C)c1ccc(NC(=O)N2CCC(C#N)CC2)cc1 96722178 MTMGNMJTJCOHIU-UHFFFAOYSA-N 285.391 3.752 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc(F)ccc1Cl 98059966 SDWGZSRQKXGBPP-UHFFFAOYSA-N 288.753 3.983 30 20 CHED CCCCc1ccc(NC(=O)c2ccc(C#N)cn2)cc1 107425517 DMFXPDRBDOXFIN-UHFFFAOYSA-N 279.343 3.548 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(Br)ccc1C 117001653 HAIKXMHYDDKLKJ-SNVBAGLBSA-N 297.196 3.844 30 20 CHED Cc1cc(OCc2ccccc2)ccc1N[C@H](C)C#N 117380122 UJIYYUXQKMISLK-CQSZACIVSA-N 266.344 3.898 30 20 CHED CC1(C)CC[C@H](NC(=O)C2(C#N)CCC2)c2ccccc21 119475426 REXLFGSXLNBDSA-HNNXBMFYSA-N 282.387 3.609 30 20 CHED CC(C)(C#N)CCN1CCC(CCCN2CCCC2)CC1 119848447 KRLQFIMFZPIYJP-UHFFFAOYSA-N 291.483 3.514 30 20 CHED Cc1ccccc1OCCN(C)CC(C)(C)CCC#N 121544326 MGNOPLGSJKTOIE-UHFFFAOYSA-N 274.408 3.636 30 20 CHED C=CCn1c(S[C@@H](C#N)CC)nnc1-c1cccc(C)c1 127189123 XNBZXJYZMQMFGB-CQSZACIVSA-N 298.415 3.834 30 20 CHED Cc1nnc(SCCCC#N)n1[C@H]1CCC[C@@H](C)C1 127312293 RUVFXXWQOBNPHK-YPMHNXCESA-N 278.425 3.734 30 20 CHED CCN(C(=O)c1cc(C)c(C)o1)[C@@H](C)c1ccc(C#N)cc1 127687259 OLPBPPRLEYMBKB-ZDUSSCGKSA-N 296.370 3.991 30 20 CHED C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CC#N)C1 129059710 OGWMBFZYXTWDGU-MFKMUULPSA-N 268.282 3.612 30 20 CHED C=C[C@H](CC(=O)NCC(CC)CC)c1ccccc1 130321076 CENVQIMPBYHRMW-OAHLLOKOSA-N 259.393 3.899 30 20 CHED Cc1cccc([C@H](C)C(=O)N(C)Cc2ccc(C#N)cc2)c1 133280669 RGNLOCRJXKUNPC-HNNXBMFYSA-N 292.382 3.629 30 20 CHED N#Cc1ccc(OCc2cc(-c3ccco3)on2)c(F)c1 134292796 BNHKJQOPHUFJHY-UHFFFAOYSA-N 284.246 3.524 30 20 CHED COc1cccc(Cl)c1CNCc1ccc(C#N)cc1 134781218 LZMMLXOEDXPWBT-UHFFFAOYSA-N 286.762 3.510 30 20 CHED CC(=O)c1ccc(OCCCC(C)(C)C#N)c(F)c1 134842061 QWEGFWYFRUTDBK-UHFFFAOYSA-N 263.312 3.737 30 20 CHED C=C[C@H](CC(=O)N[C@]1(C#N)CCC[C@H](C)C1)c1ccccc1 135022254 PNIAYRQOFCCCBT-FRQCXROJSA-N 296.414 3.935 30 20 CHED C[C@H](Cc1ccccc1Cl)NCc1ccc(C#N)o1 135149290 MJRHYBWEXQWPAM-LLVKDONJSA-N 274.751 3.525 30 20 CHED CC#CCN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 135269868 KCPPZJBMGHXHDD-HNNXBMFYSA-N 292.382 3.613 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccc(C#N)cc2F)n1 150926604 NAOFOGCZDJQXMJ-QGZVFWFLSA-N 281.334 3.742 30 20 CHED CCN(C)c1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 151373937 NSKHAFMKFGBZDL-OAHLLOKOSA-N 293.414 3.865 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C[C@@H](C)C1 156256153 FAKUBEYZGHCFAN-KGLIPLIRSA-N 285.391 3.653 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)C1CCC(C)(C)CC1 156531361 ZABMQBYRZMRIAK-UHFFFAOYSA-N 284.403 3.733 30 20 CHED CCN(C(=O)[C@H]1CC=CCC1)c1ccc(C#N)c(Cl)c1 156547460 XFQICNURPBBULH-LBPRGKRZSA-N 288.778 3.921 30 20 CHED C#Cc1cccc(NC(=O)NC2(c3cccc(F)c3)CC2)c1 157958439 RVIGWVCONRHOQF-UHFFFAOYSA-N 294.329 3.618 30 20 CHED N#Cc1cccc(C(=O)CSc2ccccc2F)c1 160466570 RXCWTEVQQPHEFE-UHFFFAOYSA-N 271.316 3.672 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)cc1C)c1cccs1 162347477 RSKSKRKTFHDTOV-CQSZACIVSA-N 284.384 3.809 30 20 CHED CC(C)(C#N)CCCN1CCC(OC(C)(C)C)CC1 162619940 LMPARROXOLPQGY-UHFFFAOYSA-N 266.429 3.596 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)n(C)n1 165173736 UMYPNLNPNUSYOD-VMPITWQZSA-N 294.276 3.643 30 20 CHED CCCCCCCCCCNC(=O)Nc1ccnn1C 168487842 KVJOQNZGUZHSQF-UHFFFAOYSA-N 280.416 3.682 30 20 CHED N#Cc1cccc(CN2CCSC[C@@H]2c2ccccc2)c1 172010748 OBBRXERYJAVMFD-GOSISDBHSA-N 294.423 3.848 30 20 CHED C=CCCCOC(=O)[C@@H](SC)c1ccccc1 172420011 BMQUQLDYHVOANZ-ZDUSSCGKSA-N 250.363 3.600 30 20 CHED N#Cc1ccccc1SCc1cccc([N+](=O)[O-])c1 172681810 BMTDHHRJDPEAEB-UHFFFAOYSA-N 270.313 3.759 30 20 CHED C=CCN(CC=C)C(=O)c1cc(Oc2ccccc2)ccn1 174193483 OCRLKRDLSCOGJB-UHFFFAOYSA-N 294.354 3.688 30 20 CHED N#CCCN(Cc1ccc(Br)s1)CC1CC1 174692644 KRQSBUUOIUAVLK-UHFFFAOYSA-N 299.237 3.636 30 20 CHED Cc1cc(C(=O)OCc2ccc(C#N)cc2)c(F)cc1F 175040683 GODMTNNYRSYRPQ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC(C)(NCc1cc(C#N)cs1)c1ccc(F)cc1 177696026 ZLQYLAUOGZLHMN-UHFFFAOYSA-N 274.364 3.784 30 20 CHED Cc1ccc(CC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1 177766521 SCOUIEPNMJRIAV-CQSZACIVSA-N 298.411 3.994 30 20 CHED C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1 178179708 DUUNHGDDJXIHHF-YVEFUNNKSA-N 296.345 3.872 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]2CCC[C@H]21 178550682 DWMOGSNFXJNJKT-CZUORRHYSA-N 283.375 3.663 30 20 CHED C[C@@H](NCc1ccccc1C#N)[C@H](C)c1ccccc1 179094869 ITCWNRHAZWGZHN-LSDHHAIUSA-N 264.372 3.840 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnn(C(C)(C)C)c1 179656934 ZGCTXICEVGDBCZ-LBPRGKRZSA-N 278.400 3.504 30 20 CHED Cc1cccc2c(CCC(=O)O[C@H]3CC[C@@H](C#N)C3)c[nH]c12 179872838 XPLQXHQSXLXPLX-HIFRSBDPSA-N 296.370 3.644 30 20 CHED CC[C@H](CC#N)NC(=O)c1sc2cccc(F)c2c1C 183870844 ZPAJNIGDYWOKPF-SNVBAGLBSA-N 290.363 3.771 30 20 CHED C=CCC[C@H](NCCC[C@@H]1CCCCO1)C1CC1 183997169 IFAFHTSKJGSWQY-HOTGVXAUSA-N 251.414 3.670 30 20 CHED CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1sccc1C#N 184659393 MSVLJBZLIPRSKA-DGCLKSJQSA-N 292.404 3.544 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 185130992 KQBIEVFABSKAMM-LBPRGKRZSA-N 295.329 3.659 30 20 CHED CC#CCCCC(=O)Nc1ccccc1OC(C)C 185331535 ZBYPEFUCRJQVQA-UHFFFAOYSA-N 259.349 3.606 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 185699578 GKPIGSOBVDRJLF-WMLDXEAASA-N 287.378 3.929 30 20 CHED N#C[C@H]1CCC[C@@H](NCCSCc2ccccc2F)C1 185752788 WUTUAJMLYSUEES-DZGCQCFKSA-N 292.423 3.731 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2ccccc2CC)s1 187849882 YEVKDDQYOCLECI-UHFFFAOYSA-N 298.411 3.926 30 20 CHED C[C@@H](CCC#N)Sc1nnc(NCc2ccco2)s1 188268467 CVAFDDOTCNUKRQ-VIFPVBQESA-N 294.405 3.528 30 20 CHED CCCCNC(=O)[C@@H](C)S[C@H](C)c1cccc(C#N)c1 190874907 NTWBJUFHVNHYPA-CHWSQXEVSA-N 290.432 3.657 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccccc2OC)no1 191157291 PTLMGUNAGNGASC-HNNXBMFYSA-N 258.321 3.599 30 20 CHED C=C[C@@](C)(CC)c1nc(CCc2ccccc2)no1 191172794 BWWFAXVYUWWXKN-INIZCTEOSA-N 256.349 3.709 30 20 CHED C=CCC1(C(=O)N(C)[C@@H]2CCc3ccccc3C2)CCC1 191901835 DYPFRJXGDIGMGX-QGZVFWFLSA-N 283.415 3.749 30 20 CHED C[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 192986296 GUKVZWQAJKRFBH-STQMWFEESA-N 294.354 3.699 30 20 CHED CSc1cccc(NC(=O)c2ccccc2OCC#N)c1 194048380 ASHIWBPGORBURT-UHFFFAOYSA-N 298.367 3.563 30 20 CHED C#CCCCCNc1ccc([N+](=O)[O-])cc1Br 229739097 HIACJMZDZQPNHI-UHFFFAOYSA-N 297.152 3.573 30 20 CHED C[C@H]1CCC[C@@H](c2noc(-c3ccc(C#N)s3)n2)C1 230997548 DFLXLFBFEVGJAS-VHSXEESVSA-N 273.361 3.963 30 20 CHED CC(C)(C#N)CCCCOc1ccc(C=O)cc1F 232519957 ALHFTGZBGHDFIZ-UHFFFAOYSA-N 263.312 3.737 30 20 CHED C=CCc1ccc(OCCOc2ccccc2)c(OC)c1 247903501 GTXHAHQSVFGNEU-UHFFFAOYSA-N 284.355 3.882 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccc(O)cc1 255082776 AAVBPYMNHXUZAG-BHQIHCQQSA-N 260.239 3.567 30 20 CHED CC[C@]1(C)CCCN(C(=O)/C=C\c2ccccc2C#N)C1 255864116 AVJZVJOEDLFINE-HJCTWCACSA-N 282.387 3.610 30 20 CHED C=CCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 263662284 JXTVEBROAANGSG-UHFFFAOYSA-N 275.682 3.846 30 20 CHED CC(C)(CCC#N)CNCc1cc([N+](=O)[O-])ccc1Cl 268318383 JXPZZBRKODTHPY-UHFFFAOYSA-N 295.770 3.668 30 20 CHED CCS[C@H](C(=O)Nc1ccc(C#N)cc1Cl)C(C)C 269216517 KVTFYFZXYIOSEV-ZDUSSCGKSA-N 296.823 3.928 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(Cl)cc2)no1)OCC 270049567 QXELJFFSKKMIPK-CYBMUJFWSA-N 292.766 3.914 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(SC)cc1)OCC 270129930 OPCGOTLVDDPSTL-CQSZACIVSA-N 279.405 3.718 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC=C(C(F)(F)F)CC1 270161584 IOTWTQLYCPKKTE-LLVKDONJSA-N 280.293 3.814 30 20 CHED C=C(Cl)CNC(=O)c1ccccc1CCC(F)(F)F 270328033 MOTQJMDORPHJAH-UHFFFAOYSA-N 291.700 3.664 30 20 CHED CC(C)c1cc(N2CCC(C)(C#N)CC2)nc(C(C)C)n1 272419268 DTAXRGONNKRGGU-UHFFFAOYSA-N 286.423 3.853 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccccc2CC)no1)OCC 273644158 CJXRKNMPABWHRB-OAHLLOKOSA-N 286.375 3.823 30 20 CHED C[C@@H](CCC#N)N(C)Cc1cccc(OC(F)(F)F)c1 276355283 XHLSLKVDJYIOKX-NSHDSACASA-N 286.297 3.709 30 20 CHED C=CCCN(C)C(=O)c1cccc(Cl)c1Cl 276471119 XNCGHYFMEDDWQC-UHFFFAOYSA-N 258.148 3.642 30 20 CHED C#CCC1(C(=O)Nc2ccc(C)c(O)c2C)CCCCC1 276544630 OPVLZRDEDPAECM-UHFFFAOYSA-N 285.387 3.921 30 20 CHED CCN(C(=O)CC(C)(F)F)[C@H](C)c1ccc(C#N)cc1 276984153 HKFFGNGYIZRWRG-LLVKDONJSA-N 280.318 3.513 30 20 CHED N#CC1(c2nc(-c3c[nH]c4ccccc34)no2)CCCC1 278133400 KMRBOFGWEKCTQW-UHFFFAOYSA-N 278.315 3.553 30 20 CHED C[C@@H](C#N)CN(C)c1nc2cc(Cl)cc(Cl)c2o1 278925664 UNGKSPSOXOGMMM-ZETCQYMHSA-N 284.146 3.730 30 20 CHED N#CCSCCCN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 282152482 SUXBVPXWXDNKMJ-QZTJIDSGSA-N 298.455 3.954 30 20 CHED C=C(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(F)c1 282315269 NFWDHMDGTWHQRI-GHJWDPDVSA-N 276.330 3.864 30 20 CHED C=C(C)CCc1noc(CCCOc2ccccc2)n1 284973591 BGSBJNSSEZUFRK-UHFFFAOYSA-N 272.348 3.590 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1cc(Cl)ccc1Cl 285508193 AMUWSOBDYYEJCO-LBPRGKRZSA-N 272.131 3.839 30 20 CHED CC[C@](C)(C#N)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 286016816 ROBABKGCXIMAKF-ZHALLVOQSA-N 294.398 3.773 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(C)c1Cl 286037763 JNRYCMUQKGUEGG-CYBMUJFWSA-N 250.729 3.527 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(C)cc1Br 289050496 ZVJAOFALDQILEO-CYBMUJFWSA-N 296.164 3.603 30 20 CHED C=C(C)CCc1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 289269470 RQLRLHPXONJEDL-UHFFFAOYSA-N 299.349 3.915 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 289690442 VTVURTGQGPXIDK-ZTFGCOKTSA-N 296.414 3.653 30 20 CHED CC(C)(C)c1cc(NC(=O)CCCC#N)c(C#N)s1 291764074 OTTFEWIIZHRXOX-UHFFFAOYSA-N 275.377 3.550 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)c(F)cc1F 293105001 OYEYRCXMHMNGAZ-UHFFFAOYSA-N 257.255 3.645 30 20 CHED CC1(c2ccccc2)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 293890702 VCZJNCACLZVGNA-NVXWUHKLSA-N 268.404 3.732 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1c1cc(C#N)ccn1 294973672 OPXMMGIMEWOCLP-UMNHJUIQSA-N 283.297 3.509 30 20 CHED N#Cc1ccc(N2CCC(Nc3ccccc3)CC2)cc1 299364055 PPKUTGBXVUAGRP-UHFFFAOYSA-N 277.371 3.639 30 20 CHED CC(C)(C)c1ccc(CNc2ncccc2C#N)cc1 301057146 ADMJLDCNMRROLV-UHFFFAOYSA-N 265.360 3.863 30 20 CHED Cc1ccc([N+](=O)[O-])c(Oc2ccc(Cl)c(C#N)n2)c1 301499650 DDBWIRSMZUIVKY-UHFFFAOYSA-N 289.678 3.616 30 20 CHED N#Cc1nc(Oc2ccc3c(c2)CCC3)ccc1Cl 301509734 CSTPSYUSDDBAGW-UHFFFAOYSA-N 270.719 3.888 30 20 CHED N#Cc1ccc2nc(N3CCc4sccc4C3)ccc2c1 301829976 RLQHWDBANNAVDL-UHFFFAOYSA-N 291.379 3.731 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1cc(C#N)ccc1F 303695999 QSEZTHJOODFQKW-INIZCTEOSA-N 260.356 3.708 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NCc1cccc(C#N)c1F 308697147 GDYCNCVASOJBMS-MLGOLLRUSA-N 260.356 3.756 30 20 CHED Cc1nc(N[C@@H](C)CCc2ccccc2)ccc1C#N 312353767 YBRNZMSZQKXZJV-ZDUSSCGKSA-N 265.360 3.695 30 20 CHED C[C@@H]1CCC[C@@H](CC(O)=Nc2ccc3nncn3c2)C1 329097005 CATWCWNYUVVNPJ-VXGBXAGGSA-N 272.352 3.534 30 20 CHED Cc1nc(C2CC2)oc1/C(O)=N/[C@@H]1CCC(C)(C)C1 329522139 PHNKLWXGFQEZBX-LLVKDONJSA-N 262.353 3.744 30 20 CHED C[C@@H]1CCCC[C@H]1C/N=C(/O)c1snnc1C1CC1 329721418 ASISWHZRXGAXFZ-KOLCDFICSA-N 279.409 3.546 30 20 CHED OC(C[C@H]1CCOC1)=Nc1nc2ccc(Cl)cc2s1 329729725 CZAGMCXKRGRROA-MRVPVSSYSA-N 296.779 3.964 30 20 CHED CC(C)[C@@H]1CCCC[C@@H]1/N=C(/O)CCc1cnccn1 330029739 QNMHMKIVTWAIGK-GJZGRUSLSA-N 275.396 3.581 30 20 CHED CO[C@@H]1CC[C@@H](/N=C(/O)Nc2ccc(C3CCC3)cc2)C1 330206726 FKGCSOGWUFNDEX-HZPDHXFCSA-N 288.391 3.848 30 20 CHED Cc1csc(C(C)(C)N/C(O)=N/CCC(C)(C)C)n1 330804335 KFKOFSBZGFTMDE-UHFFFAOYSA-N 283.441 3.626 30 20 CHED CC[C@H](/N=C(/O)c1ccoc1C(C)C)[C@@H]1CCCO1 331098340 NFKZOLKTXGHTQO-STQMWFEESA-N 265.353 3.665 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@H](C)C1 332264207 FNJASMFWGTTWBU-VXGBXAGGSA-N 289.354 3.597 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c1 333601877 CVGUDGREBQIRDZ-SJORKVTESA-N 295.386 3.519 30 20 CHED N#Cc1cnc(Oc2cccc(F)c2F)c(Cl)c1 334338862 ZOEYQZKIJASHLX-UHFFFAOYSA-N 266.634 3.677 30 20 CHED C[C@H](C#N)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 334481061 VRJRMUXDPSZHRG-SNVBAGLBSA-N 288.734 3.584 30 20 CHED CC(C)(CC(=O)N1CCC(C#N)CC1)C1CCCCC1 334893880 GOGDIHBOOHFIJG-UHFFFAOYSA-N 276.424 3.745 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 335177946 RYXNRGKZZZHATH-ZDUSSCGKSA-N 284.403 3.891 30 20 CHED Cc1c(Cl)cccc1NC(=O)c1ccc(C#N)s1 335693923 ILMQLMXUJFNIKD-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C[C@@H](Nc1nccnc1C#N)c1ccccc1C(F)(F)F 338725630 XOECVHZMNDRQDJ-SECBINFHSA-N 292.264 3.540 30 20 CHED N#Cc1cnc(NCc2ccccc2Cl)c(Cl)c1 339238550 XAXHAZRWMARTFW-UHFFFAOYSA-N 278.142 3.872 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H]2CCCCS2)c1C#N 341137412 KHAWENHBHUCAFF-LBPRGKRZSA-N 294.445 3.715 30 20 CHED CC(C)c1noc([C@@H](C)SCCC(C)(C)C#N)n1 341903829 SXTCMWFFURFMKS-SNVBAGLBSA-N 267.398 3.927 30 20 CHED C[C@@H](SCCC(C)(C)C#N)c1nc(C2CC2)no1 341933081 SFTKCCKENZBXIZ-SECBINFHSA-N 265.382 3.681 30 20 CHED N#Cc1cccc(C2(NCc3nc(C4CC4)cs3)CC2)c1 341958668 COUCCLWZUTVURF-UHFFFAOYSA-N 295.411 3.671 30 20 CHED C=CCCN(C)C(=O)c1ccccc1COC(C)(C)C 342024920 XOXKOUPTPTWVSJ-UHFFFAOYSA-N 275.392 3.650 30 20 CHED CCOc1cccc(CNc2ccc(Cl)c(C#N)c2)n1 342431203 FMIYMACTJLWWOR-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC1(C)CC(C(=O)Nc2ccc(C#N)cc2Cl)C1 342668128 PJGIPUQPDOLGFL-UHFFFAOYSA-N 262.740 3.586 30 20 CHED N#CC1(CN2CCCC[C@H]2c2ccc(F)cc2F)CC1 343311954 QIFKLVAMVKBPJG-HNNXBMFYSA-N 276.330 3.796 30 20 CHED Cc1c(Cl)cnc(NCC2(C3CC3)CC2)c1C#N 343473322 HYFWDPFQPDPDDF-UHFFFAOYSA-N 261.756 3.517 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Oc2cccnc2)cc1 344709331 CIPUFYIPYXGWTC-UHFFFAOYSA-N 283.331 3.572 30 20 CHED Cc1c(C#N)cccc1C(=O)N1Cc2cccc(Cl)c2C1 345653559 LMVCKVYXKVSPOT-UHFFFAOYSA-N 296.757 3.676 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cccc2c1ccn2CC(C)C 346537061 JCBHUQRMAWJFMV-AWEZNQCLSA-N 297.402 3.719 30 20 CHED N#CCCN(CC1CC1)C(=O)c1cccc(Cl)c1Cl 349399346 KAWKUSIOLUHETA-UHFFFAOYSA-N 297.185 3.759 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@@H]1C1CCC1 350742073 TXGIAGJWKRYQPU-OAHLLOKOSA-N 286.423 3.501 30 20 CHED CC[C@@H](C)CCC(=O)N(CCC#N)CCC(C)C 352577993 TVEXBWLZHUXALM-CQSZACIVSA-N 252.402 3.601 30 20 CHED C=CCOc1cccc(CN2CCS[C@H](C)[C@@H]2C)c1 353841642 FGJCYWXBZKFHRT-UONOGXRCSA-N 277.433 3.577 30 20 CHED C=CCCC1(C(=O)NCc2nc3ccccc3s2)CC1 354114914 NYIUZTKNLNZRIH-UHFFFAOYSA-N 286.400 3.659 30 20 CHED N#CC[C@@H](CC(=O)N1CC[C@@H](CC2CC2)C1)c1ccccc1 359693392 HHEBFVZKBDNFKM-WMZOPIPTSA-N 296.414 3.723 30 20 CHED C=C(CNCc1ccc(N(C)C(C)C)nc1)c1ccccc1 359730430 MOFKKALKNOFTIH-UHFFFAOYSA-N 295.430 3.729 30 20 CHED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCCC#N 359999466 HLTDUTUFEMCGEZ-NSHDSACASA-N 298.308 3.919 30 20 CHED C=CCN(C)CCCc1cc(-c2ccc(F)cc2)no1 360173979 USXWZRNVFJRLPD-UHFFFAOYSA-N 274.339 3.531 30 20 CHED N#Cc1cccc(OCCn2ccc(-c3ccccc3)n2)c1 360285945 MAKNXGLLHYBAJF-UHFFFAOYSA-N 289.338 3.501 30 20 CHED CC(C)CCn1ncc(NC(=O)CCCC#N)c1C(C)C 360490927 PPOVSPWXUPOAHN-UHFFFAOYSA-N 290.411 3.685 30 20 CHED N#CCC1(CN=c2[nH]c3cc(Cl)cc(Cl)c3o2)CC1 362365064 MIVNXCZFQBLTLA-UHFFFAOYSA-N 296.157 3.662 30 20 CHED C=CCSc1ccccc1C(=O)NCC1(CC)CC1 362818077 RJJDPQHPXBWQBD-UHFFFAOYSA-N 275.417 3.885 30 20 CHED C[C@H]1CCN(C[C@H](C#N)CCC#N)CC12CCCCC2 373410699 AKEZDNIGIODSHJ-HOTGVXAUSA-N 273.424 3.722 30 20 CHED C=CC(C)(C)CNCc1ccccc1OC(F)F 385122683 FTPKYKUWZHVRPU-UHFFFAOYSA-N 255.308 3.590 30 20 CHED Cc1ccc(C(=O)COc2cc(F)cc(C#N)c2)c(C)c1 385624085 PIXMRWRJDQVCNV-UHFFFAOYSA-N 283.302 3.576 30 20 CHED CC[C@]1(C)CCN(c2c(C#N)cnc3ccccc23)C1 399432915 ZJVQBZZAHFVHTH-QGZVFWFLSA-N 265.360 3.733 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1cccc(F)c1 410145496 MEDGAVAHTYJGEX-SWLSCSKDSA-N 263.356 3.790 30 20 CHED C[C@@H]1Cc2ccccc2N(CCCC2(C#N)CCOCC2)C1 410345502 PYLMJMOSSLTTKH-MRXNPFEDSA-N 298.430 3.786 30 20 CHED CCCC(CCC)C(=O)N(C1CC1)C1(C#N)CCC1 410746124 IFUWQTLZENDATC-UHFFFAOYSA-N 262.397 3.640 30 20 CHED CCN(C(=O)[C@@H](C)CC(F)F)[C@H](C)c1ccc(C#N)cc1 412127331 FSWHUHSXYZHGOF-NWDGAFQWSA-N 294.345 3.759 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@H](CC)CC(F)(F)F 413517100 OOPZZCAAZIKTKU-MNOVXSKESA-N 280.334 3.619 30 20 CHED C[C@H](CNc1ncc(C#N)cc1Cl)CC(F)(F)F 413532785 NOQSZIYQPSDWRM-ZETCQYMHSA-N 277.677 3.607 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H]1CCCc2nn(C)cc21 414296276 GLBMHEKJUBYFJE-WMZOPIPTSA-N 295.430 3.575 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)NCC2(C#N)CCC2)c1 416351471 MWXVAPCMRKTVOC-OAHLLOKOSA-N 298.430 3.799 30 20 CHED CCc1cc(OCC2(C#N)CCC2)c2ccccc2n1 418920730 ICTCWRWXXMHZSO-UHFFFAOYSA-N 266.344 3.870 30 20 CHED COC1(CCSCc2ccc(F)cc2C#N)CCC1 419409524 ZDYNAXGYYYWHHR-UHFFFAOYSA-N 279.380 3.890 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccncc1Cl 421863398 YORHXHMVBMBHGQ-LLVKDONJSA-N 265.788 3.716 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2nc(C)oc2c1 424561182 IZQGJPZQKDEURF-UHFFFAOYSA-N 258.321 3.677 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccoc1CC 430313490 GINWRGRWVZNICH-UHFFFAOYSA-N 269.344 3.670 30 20 CHED Cc1nc2ccc(NC(=O)c3cc(C#N)cs3)cc2s1 437320564 IBJGDKNCFTZLAZ-UHFFFAOYSA-N 299.380 3.790 30 20 CHED Cc1ccc(OCc2ccccc2)c(NC(=O)[C@@H](C)C#N)c1 443169312 QMOKKQCUVNTBES-AWEZNQCLSA-N 294.354 3.672 30 20 CHED CC#CCCNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 446867487 UJSPZSGJJUWALX-SNVBAGLBSA-N 299.201 3.767 30 20 CHED C=CCN(CC=C)C(=O)[C@H]1CCC[C@H]1c1ccccc1 448563045 AFHQAGUAWSWWNS-IRXDYDNUSA-N 269.388 3.771 30 20 CHED C[C@@]1(C(=O)Nc2ccc(Cl)c(C#N)c2)CC=CCC1 448642229 NWMHUWXIPFOOHQ-OAHLLOKOSA-N 274.751 3.897 30 20 CHED C=CCn1c(SCCC(C)(F)F)nnc1-c1ccco1 450761847 SNZKLPPEHZIWTG-UHFFFAOYSA-N 299.346 3.862 30 20 CHED CCc1nc(C)c(CSc2ccccc2C#N)o1 450866112 SWCVGRBQWYIFRX-UHFFFAOYSA-N 258.346 3.709 30 20 CHED C=CCC[C@H](CO)Nc1ncc(-c2ccccc2)s1 450899509 SMGTZKWFDPKBGN-CYBMUJFWSA-N 274.389 3.549 30 20 CHED C=CCCc1noc([C@@H]2CCSc3ccccc32)n1 453234403 KWTVQXAQOVJNAG-GFCCVEGCSA-N 272.373 3.816 30 20 CHED C=C(CC)CN[C@@H]1CC2(CCC2)Oc2ccccc21 453379402 WCICNXBVFHYHNI-OAHLLOKOSA-N 257.377 3.989 30 20 CHED C=C(C)CCNC(=O)NCc1csc2ccccc12 454275052 RIFLFSSQBZFNAN-UHFFFAOYSA-N 274.389 3.667 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)Nc1cccc(CC#N)c1 455911547 FKTYQMWIDXJLBF-DVOMOZLQSA-N 285.391 3.699 30 20 CHED C[C@H]1CC=C(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 456001039 RMDPIKILWIQYNI-WMLDXEAASA-N 282.387 3.894 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 456846708 UYHQSYLJMCUULL-UKRRQHHQSA-N 288.366 3.530 30 20 CHED CCS[C@H](C(=O)Nc1cc(C)cc(C#N)c1)C(C)C 456963371 KHTZPWQHKPDNAZ-AWEZNQCLSA-N 276.405 3.583 30 20 CHED Cc1cc(C(=O)NCC(C)(C)CC#N)c(C)cc1Cl 458013044 AOPWGPJDHRAWTQ-UHFFFAOYSA-N 278.783 3.627 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(Cc2ccc(F)cc2)CC1 458747090 YVACXQCEOPWSNM-OAHLLOKOSA-N 290.382 3.555 30 20 CHED CCCCCN(C(=O)NCC(C)(C)CC#N)C(C)C 459256386 ICISOTFDZAZIQK-UHFFFAOYSA-N 267.417 3.536 30 20 CHED CC1(C)Cc2ccsc2CN1CCCSCC#N 459585489 RZHSZGBFDBFWNI-UHFFFAOYSA-N 280.462 3.532 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)C(CC)CC 460656956 MQJKEPNHZRJGTI-CYBMUJFWSA-N 254.418 3.951 30 20 CHED C[C@@H]1CN(C(=O)[C@H](C)c2cccc(C#N)c2)c2ccccc21 461907768 JPMPVFVAFBXXHB-ZIAGYGMSSA-N 290.366 3.812 30 20 CHED C[C@H](C(=O)N[C@H](C)CCC(C)(C)C)c1cccc(C#N)c1 462116610 JBEWSAKLHPQIMR-KGLIPLIRSA-N 286.419 3.993 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)CCc1ccccc1Cl 464167122 GHRGLGSMVCYKKT-INIZCTEOSA-N 292.810 3.717 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 464752959 QNQAYOBHYHGAKR-WBMJQRKESA-N 290.382 3.931 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 464759200 WRMXHFHQJLFYLN-BAESOJJISA-N 292.810 3.911 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 465117917 DHLRPZOWFKMMAN-CYBMUJFWSA-N 276.339 3.530 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)c1ccc(C#N)cc1 466200226 ITJYBVYRQFMWLS-XJKSGUPXSA-N 299.418 3.887 30 20 CHED C=CC[C@H](CC)NC(=O)c1sc(C)cc1OC(F)F 466526076 HZEGPNGAWSVAAR-VIFPVBQESA-N 289.347 3.742 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnc2ccccc2c1C 466531996 GXOJKZDYPQUFLF-ZDUSSCGKSA-N 268.360 3.628 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1C1CC1 470635694 JZWHZNHEYZUOFH-IRXDYDNUSA-N 269.388 3.637 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CC[C@@H](C)C1 475304022 RUKUDDMFRAPAFT-ZIAGYGMSSA-N 292.448 3.882 30 20 CHED C=CCOc1ccccc1CNC(=O)N(C)[C@@H](C)CCC 477564926 WWMHLWNNFWXOHV-AWEZNQCLSA-N 290.407 3.581 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1[C@@H](C)CCC[C@@H]1C 477765992 OESBGEONQMDPPU-STQMWFEESA-N 285.391 3.813 30 20 CHED COC1(CSc2nc(C)cc(C)c2C#N)CCCC1 478550094 FQFHSEHHTBYOPG-UHFFFAOYSA-N 276.405 3.621 30 20 CHED CC[C@H]1CC[C@H](NC(=O)c2cccc(C#N)c2C)CC1 479512044 PFNGUWZURSWBQO-CTYIDZIISA-N 270.376 3.565 30 20 CHED CCC[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C 482416724 UUNOKIWRZRMQRL-CJNGLKHVSA-N 272.392 3.808 30 20 CHED C=CCCCCCS[C@H](Cc1ccccc1)C(=O)NC 485579391 LUKJKGMEMQUSOL-MRXNPFEDSA-N 291.460 3.823 30 20 CHED C=C[C@H](C)NC(=O)NC1CCC(C)(c2ccccc2)CC1 487310486 YFIUHQZWTLXTHX-NXVRBGIVSA-N 286.419 3.761 30 20 CHED Cc1[nH]c(=NCc2cc3ccccc3s2)ccc1C#N 488090323 ABJRNXXFRMKIEB-UHFFFAOYSA-N 279.368 3.510 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1SCCc2ccccc21 488869536 RADKYMJRNCOKJZ-GOEBONIOSA-N 287.428 3.584 30 20 CHED C=C(C)CNC(=O)CCOc1cc(C)ccc1C(C)C 490035617 PMANZLNTTPPFDD-UHFFFAOYSA-N 275.392 3.580 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc(C(=O)N(C)C)cc1 495062119 ABEZQIOGCOWHFN-HUUCEWRRSA-N 288.435 3.784 30 20 CHED C=CCCC1(C(=O)N2CCC(CC(F)(F)F)CC2)CC1 501415511 DQRFOPPYEYHBOW-UHFFFAOYSA-N 289.341 3.924 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1 502442918 FAWHPRHTZMIYGO-MRXNPFEDSA-N 294.398 3.702 30 20 CHED COc1ccccc1-c1ccc(CN(C)C[C@@H](C)C#N)cc1 509776719 YSPPKVSZYXDVNI-HNNXBMFYSA-N 294.398 3.954 30 20 CHED C=CCOc1cccc(NC(=O)NC(CC)CC)c1 510386164 IVTGPNVAUJNBGF-UHFFFAOYSA-N 262.353 3.562 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccccc1C 511891062 NXSWPYGVYIFMCT-CQSZACIVSA-N 277.433 3.900 30 20 CHED C=C(CNC(=O)N(CCC)CC(C)C)c1ccccc1 512677674 MDCZGMULJIZSKC-UHFFFAOYSA-N 274.408 3.777 30 20 CHED C=CCOCc1nc(-c2ccc(C(C)(F)F)cc2)no1 515097646 QDEVBYVIOJLAIS-UHFFFAOYSA-N 280.274 3.551 30 20 CHED C[C@@H](Sc1cccc(F)c1C#N)c1nc(C2CC2)no1 516194691 RKYJUQVGKFUYEH-MRVPVSSYSA-N 289.335 3.811 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 524103113 NDYAPYVHAZTLFN-YJBOKZPZSA-N 298.430 3.918 30 20 CHED CCC[C@H](C#N)NC(=O)CC(C)(C)C1CCCCC1 527239975 VDFSEBRCLZWNND-CQSZACIVSA-N 264.413 3.791 30 20 CHED N#C[C@@H]1CC[C@H](N2CCc3cccc(C(F)(F)F)c3C2)C1 528796189 KSHZKESOSSTCOA-YPMHNXCESA-N 294.320 3.756 30 20 CHED C=CC1CCN(C(=O)Nc2ccc3occc3c2)CC1 529282919 OFIVGGWCGHOCOU-UHFFFAOYSA-N 270.332 3.863 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1(C)CCC(C)CC1 531319597 LOJFOCHNTHUHPL-UHFFFAOYSA-N 285.391 3.957 30 20 CHED C=C(CC)CSCC(=O)N1CCC[C@H]2CCCC[C@@H]21 536882232 VACBXDOBSSTMJY-CABCVRRESA-N 281.465 3.867 30 20 CHED C=CCC[C@@H](NCc1nnc(C2CC2)o1)c1ccccc1 537156880 DBJBFJIWHFGZIU-OAHLLOKOSA-N 283.375 3.744 30 20 CHED CCC1(CC)[C@H](N[C@H](C)c2cccc(C#N)c2)C[C@H]1OC 537308339 LMRGDMFEMNITMB-KBRIMQKVSA-N 286.419 3.803 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C 537478275 YUTCOERXWTUMQE-MELADBBJSA-N 269.429 3.543 30 20 CHED C=C(CC)CSCCc1ccc([N+](=O)[O-])cc1 538667056 FNONBJHIKVAGOQ-UHFFFAOYSA-N 251.351 3.837 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)s1 540802786 LBRRSWQSOOPGEY-LSDHHAIUSA-N 260.406 3.678 30 20 CHED N#Cc1ccc(N2CCC[C@@H](c3ccc(F)cc3)CC2)nc1 540871941 BFCKFVWOLYUZAG-OAHLLOKOSA-N 295.361 3.866 30 20 CHED CC1CC(C#N)(C(=O)Nc2cc(Cl)cc(Cl)c2O)C1 546151699 MRYCFRFYRXNMGA-UHFFFAOYSA-N 299.157 3.577 30 20 CHED C=CCCOCCCCc1nc(-c2cccc(F)c2)no1 546947232 XFENHXSUWLWVQR-UHFFFAOYSA-N 290.338 3.791 30 20 CHED C=CCCCCCN(C)c1nnc(CC)n1CC(=C)C 549273974 JRGOWSGCDHDCJD-UHFFFAOYSA-N 276.428 3.599 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H](C)CC(C)(C)C1 549692777 ITCPUDUTKFMFHP-AWEZNQCLSA-N 290.455 3.850 30 20 CHED Cc1ccc(CC(=O)N[C@](C)(C#N)C2CCCCC2)cc1 557899578 KLTGDLAJQRGDEY-GOSISDBHSA-N 284.403 3.516 30 20 CHED N#CCc1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)cc1 558150578 OEEYGMMJIKLFPZ-GOSISDBHSA-N 294.373 3.881 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)N1CCC(CCC#N)CC1 563044478 QBDDZCMHEVGNHR-CVEARBPZSA-N 291.439 3.538 30 20 CHED Cc1ccc(C[S@@](=O)Cc2ccc(CC#N)cc2)c(C)c1 564983090 ILJPTHQWPGOUDK-NRFANRHFSA-N 297.423 3.818 30 20 CHED Cc1csc(NC(=O)c2ccc(C)c3c2CCC3)c1C#N 565291016 SUBFYZVBSSZRSI-UHFFFAOYSA-N 296.395 3.978 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 568852363 QYZODSTYVSFGBE-CRAIPNDOSA-N 298.430 3.943 30 20 CHED Cc1ccc(CNC(=O)N2CCC(CCC#N)CC2)c(C)c1 576103329 XNNDZJCPXIJCKH-UHFFFAOYSA-N 299.418 3.529 30 20 CHED N#CCC[C@H](C#N)CN[C@H]1CCCC[C@H]1Cc1ccccc1 577215606 BVELDHOKVLHIOV-QYZOEREBSA-N 295.430 3.821 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H]1C 578162936 HPQLTSHCXUUSKH-MYWGYQQTSA-N 296.414 3.603 30 20 CHED C[C@@H]1C[C@H]1[C@@H](Nc1ccnc(C#N)n1)c1ccc(Cl)cc1 579374379 QKHHIJJJFYLLFV-ZXIHIIQKSA-N 298.777 3.811 30 20 CHED CCC(O)(CC)C(C)(C)CNCc1ccc(C#N)c(C)c1 579376694 AWZPYDYGUPWVCG-UHFFFAOYSA-N 288.435 3.534 30 20 CHED C[C@H](C1CC1)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 581111817 DWVBUQXYMFLYAD-GFCCVEGCSA-N 297.320 3.667 30 20 CHED CSc1ncc(OCc2ccccc2C(C)(C)C#N)cn1 583745053 CVALGPGXEFSWPO-UHFFFAOYSA-N 299.399 3.579 30 20 CHED CC[C@@H](CC#N)NCc1ccccc1Oc1cccnc1 584728264 GXOGJSFWOCJPJU-HNNXBMFYSA-N 281.359 3.656 30 20 CHED C[C@H]1Cc2ccccc2N(C(=O)c2ccc(F)c(C#N)c2)C1 585740963 GUMKWCBQASZCOT-LBPRGKRZSA-N 294.329 3.536 30 20 CHED N#CCCCCCC(=O)N[C@@H](c1ccccc1)C(F)(F)F 588375951 XDQFCUOOTORNRO-AWEZNQCLSA-N 298.308 3.880 30 20 CHED CCSCCON=Cc1ccc(OC(C)C)c(OC)c1 588394660 NDJVVXXJGAJCQN-UHFFFAOYSA-N 297.420 3.586 30 20 CHED N#Cc1cccc(/C=C2\CCOc3cc(F)ccc3C2=O)c1 588419455 MFJFAJHGMIHHNV-NTEUORMPSA-N 293.297 3.746 30 20 CHED CCSc1cccc(CNC(=O)CCCCCC#N)c1 590008721 XWBWYPYPIVOHGQ-UHFFFAOYSA-N 290.432 3.889 30 20 CHED N#CC1(c2ccccc2-c2ccc3c(c2)CCO3)CC1 592989397 VALHGICWQYXTGU-UHFFFAOYSA-N 261.324 3.844 30 20 CHED CCOc1cc2c(cc1NCC1(CC#N)CC1)O[C@H](C)C2 594699661 AFBDBHDRIQPXMY-GFCCVEGCSA-N 286.375 3.514 30 20 CHED CC[C@@H](COc1ccc(C#N)c(OC)c1)CC(F)F 594900449 PQZKNGSKKZADST-SNVBAGLBSA-N 269.291 3.627 30 20 CHED N#CCCCN1CCc2ccc(Cl)c(Cl)c2C1 595657788 OIMPYIALSHNTDJ-UHFFFAOYSA-N 269.175 3.655 30 20 CHED COc1cc(C#N)cc(Cl)c1OCC1CC=CC1 596242444 QWQYEIPVCBBRIG-UHFFFAOYSA-N 263.724 3.565 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(C)c(C)c1 596451142 SDCSWDZBRGXTTA-UHFFFAOYSA-N 278.421 3.734 30 20 CHED Cc1csc(-c2noc(CC3(C#N)CCCCC3)n2)n1 596583223 QSTQCKSYKPZNAD-UHFFFAOYSA-N 288.376 3.518 30 20 CHED N#Cc1ccccc1CSCCN[C@@H]1CCC[C@@H]2C[C@@H]21 597043830 OTCVWQRDVAAPSK-XOKHGSTOSA-N 286.444 3.570 30 20 CHED CCCC[C@H](C(=O)N(CCC#N)CC1CC1)C(C)C 598690944 MTOWVEKKMRSQSS-HNNXBMFYSA-N 264.413 3.601 30 20 CHED Cc1nscc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 598882078 JWTGMFMIIOUKCQ-UHFFFAOYSA-N 297.383 3.523 30 20 CHED CCC(C#N)(CC)C(=O)N1CCSC2(CCCCC2)C1 599642134 DCNGYZDJDYFABS-UHFFFAOYSA-N 294.464 3.595 30 20 CHED C=CC1CCN(Cc2ccccc2OC(C)C)CC1 600681369 HMKUJBHPNHUSIU-UHFFFAOYSA-N 259.393 3.872 30 20 CHED C=CC1CCN(C(=O)NCCCCc2ccccc2)CC1 600834980 CONLDXRWOMKELF-UHFFFAOYSA-N 286.419 3.617 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCCOc2cc(F)ccc21 602585866 WMHLICNFSDOUOM-IUODEOHRSA-N 276.355 3.569 30 20 CHED N#CCC1(CN2CCC(c3cccc(F)c3F)CC2)CC1 602812739 RBIPRCYRGGXONU-UHFFFAOYSA-N 290.357 3.838 30 20 CHED CCOCCSc1nc(-c2ccccc2)ccc1C#N 609620562 YQPOIUCNWACXKI-UHFFFAOYSA-N 284.384 3.749 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1cccc(F)c1C#N 610280185 FOTHGGYYHZYVCD-IRXDYDNUSA-N 266.319 3.839 30 20 CHED CCN(Cc1ccc(O)cc1)[C@H](C)c1ccc(C#N)cc1 611208171 MLRJYJRNDHPBBK-CQSZACIVSA-N 280.371 3.847 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc([S@@](C)=O)cc1 611347193 NNEJKQHLDGGQLM-AUUYWEPGSA-N 279.449 3.649 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C#N)cc1 611553992 AOIAGORDCGZSBV-RISCZKNCSA-N 282.309 3.721 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCO[C@@H](C)CC(C)C)C1 617783360 YVQPTQLBWDXMIV-HOTGVXAUSA-N 281.440 3.642 30 20 CHED CO[C@H](c1ccccc1)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 618795099 BHDMWWVDTGKEGI-CLCXKQKWSA-N 294.398 3.985 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 618802439 DOUXIGJCLKDDAX-SCLBCKFNSA-N 262.356 3.896 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 618807434 YTZZUYFIYCJDPR-ORAYPTAESA-N 287.366 3.768 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCc3cc(F)ccc32)CCCC1 619111351 ZPMHNNNEPWIJCS-MRXNPFEDSA-N 287.378 3.861 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cccc(C2CC2)c1 620864702 LBXGHVXXTIVRET-UHFFFAOYSA-N 271.404 3.968 30 20 CHED C=CCC[C@H](CC)NC[C@H](OC)c1cccc(OC)c1 624031463 IZGYULBWNYPELF-RDJZCZTQSA-N 277.408 3.717 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(Cl)c(F)c1 627623198 UATLMAWBCZVHMN-UHFFFAOYSA-N 283.774 3.740 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@H]1CCS[C@@H]1C 646395319 WMVSITOGLNXZKF-OCCSQVGLSA-N 290.432 3.821 30 20 CHED C=CCC[C@@H](CC)N[C@@H](CCO)c1ccccc1F 647345124 DZRGYCBWKHYYMV-CJNGLKHVSA-N 265.372 3.584 30 20 CHED C=CCC1(C(=O)Nc2ncc(Cl)s2)CCCC1 648987510 GXZXLSCVEGNEIW-UHFFFAOYSA-N 270.785 3.872 30 20 CHED C=CC(C)(C)CN[C@H](c1ccc(OC)cc1)c1ccccn1 652205353 VTHJVCACAZHEGY-GOSISDBHSA-N 296.414 3.981 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(C(C)=O)c1 654188337 LWUZQGWEJRRELS-INIZCTEOSA-N 259.349 3.738 30 20 CHED C=CC[C@@H](Cc1ccccc1)n1cc(/C=C/C)nn1 656457460 NIQHKKDMKJKQEC-ICFOYXHFSA-N 253.349 3.671 30 20 CHED C=C(C)CCNC(=O)NCc1cc2cc(C)ccc2o1 661264787 VABTUPJRVVELMP-UHFFFAOYSA-N 272.348 3.507 30 20 CHED C=C[C@H](C)NC(=O)c1sc(C2CCCCC2)nc1C 678755571 UFSVDNIVRXAMGY-JTQLQIEISA-N 278.421 3.804 30 20 CHED C=CCCCCNC(=O)Nc1cnn(CC(C)C)c1CC 681180610 SOTXJYVEXLKNGB-UHFFFAOYSA-N 292.427 3.579 30 20 CHED C=CCCN(C)C(=O)c1cccc(Oc2nccs2)c1 682428762 ODOXERDNPBXXSH-UHFFFAOYSA-N 288.372 3.584 30 20 CHED Cc1cc([C@@H](C#N)C(=O)C[C@H](C)C2CCCCC2)nc(C)n1 726320384 QAZJVUCUARHIIE-BLLLJJGKSA-N 299.418 3.876 30 20 CHED C(=NNC1CCCC1)c1ccccc1OCc1ccccn1 727651832 QXDUWAJXGYMMBK-UHFFFAOYSA-N 295.386 3.527 30 20 CHED C#Cc1cccc(N(C)C(=O)C=C2CCCCC2)c1 728481531 KEKAYDNMRAKMRY-UHFFFAOYSA-N 253.345 3.521 30 20 CHED N#Cc1ccc(SCC(=O)OCC2CCCCC2)cc1 728675363 DWWJMTLGYOUTQD-UHFFFAOYSA-N 289.400 3.774 30 20 CHED C=CCN(Cc1ccc(SC)c(OC)c1)C(C)C 731664375 DPVANROUWXLLIH-UHFFFAOYSA-N 265.422 3.814 30 20 CHED C=C(C)COC(=O)[C@H](C)CSc1ccccc1 732391551 LNRHANVXTOJJDC-GFCCVEGCSA-N 250.363 3.534 30 20 CHED C=CC[C@H](NCc1cccc2[nH]ccc12)c1ccncc1 734509520 LIFJKOXZRNBESO-KRWDZBQOSA-N 277.371 3.970 30 20 CHED C=CC[C@H](C)NC(=S)Nc1ccc(OC)c(Cl)c1 734986791 NOSKNEOSHBDOCI-VIFPVBQESA-N 284.812 3.600 30 20 CHED C=CCCCS[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 735413221 QDUDRERNWMWPNM-NSHDSACASA-N 274.393 3.627 30 20 CHED CC(C)CN(CCC#N)Cc1cnc(-c2ccccc2)nc1 739915781 SGTYLXOYMFTCAQ-UHFFFAOYSA-N 294.402 3.515 30 20 CHED CC(=NNCC(F)F)c1cc2cc(Cl)ccc2o1 740618552 UHLFCYLXMSTZFB-UHFFFAOYSA-N 272.682 3.665 30 20 CHED CCc1ccc(C=NOCCCOCC(F)(F)F)cc1 740872816 OFLYGKPBLJHPBB-UHFFFAOYSA-N 289.297 3.569 30 20 CHED COc1ccc([C@H](C)CC/N=C/c2cccc(O)c2O)cc1 741465383 VCAAAIDJZQCIKS-KZKLBEMASA-N 299.370 3.719 30 20 CHED Cc1nc(S[C@H](C#N)Cc2ccccc2)sc1C 741858146 RYHSBXRYZIRBRV-ZDUSSCGKSA-N 274.414 3.987 30 20 CHED Cc1cccc(OCCCNc2ccc(F)cc2C#N)c1 742389817 BEAOUFNOHNQVLB-UHFFFAOYSA-N 284.334 3.887 30 20 CHED C=C(C)CCOC(=O)CCOc1ccc(F)c(Cl)c1 744304200 QAMNFTAYVPGPCO-UHFFFAOYSA-N 286.730 3.757 30 20 CHED N#Cc1ccc(COC(=O)c2cccc3cc[nH]c23)c(F)c1 745543928 KJQAWWGAVLPQNB-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C=CCNC(=S)N(CCC)[C@@H](C)c1ccccc1OC 745679025 MFKQDTNMNUAPIM-ZDUSSCGKSA-N 292.448 3.529 30 20 CHED C#CCCCNC(=O)N[C@H](c1cccs1)C(CC)CC 745703792 QSQJFMGANATFBD-HNNXBMFYSA-N 292.448 3.938 30 20 CHED CSc1ccc(C(C)=NOCc2cccnc2)cc1 746587983 VOOCLKPMKQYCQF-UHFFFAOYSA-N 272.373 3.744 30 20 CHED CCON=C1CCCc2nc(-c3ccccc3)sc21 747047202 SGWCSJRHKQLSRG-UHFFFAOYSA-N 272.373 3.887 30 20 CHED CC1=C(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CCC1 747247056 ZWNNMMRPTUTZMP-LBPRGKRZSA-N 274.389 3.943 30 20 CHED CCCCCCCCN1CCO[C@@H]2C[C@@H](N(C)C)CC[C@H]21 749535093 GTXDFQSPHYWYKX-RCCFBDPRSA-N 296.499 3.530 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(O)cc1F 750938326 FQFMDPWDOQTZHL-UHFFFAOYSA-N 276.286 3.815 30 20 CHED Cn1nncc1/C=C\C(=O)c1ccc(C2CCCCC2)cc1 751033897 WUECQDDAWKFEGE-QXMHVHEDSA-N 295.386 3.759 30 20 CHED CCCCC[C@@H](NC(=O)c1ccc(C#N)[nH]1)C(C)(C)C 751972459 CDSQQXXQOWHHFL-CQSZACIVSA-N 275.396 3.611 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2coc(C(C)C)n2)cc1 752891904 VYFNNFWBWXVJTB-TWGQIWQCSA-N 298.342 3.653 30 20 CHED C#CC(C)(C)NC(=O)Nc1cccc(-c2cccs2)c1 753942724 CSTRPNGABMLUNH-UHFFFAOYSA-N 284.384 3.948 30 20 CHED CCCCON=Cc1c(C)nn(Cc2ccccc2)c1C 754296354 OPEXMLVSGVEUOX-UHFFFAOYSA-N 285.391 3.699 30 20 CHED C#CCCN[C@@H](Cc1ccccc1)c1cccs1 754366433 IGRHLXVJAODDMB-HNNXBMFYSA-N 255.386 3.645 30 20 CHED C#C[C@H](CC)NC(=O)C(C)(C)CCCc1ccccc1 754679806 DZCRJTWJWIBOPN-MRXNPFEDSA-N 271.404 3.564 30 20 CHED C(=NOCc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 755631250 GBXXLECORJFOSN-IAGOWNOFSA-N 251.329 3.993 30 20 CHED COC(=O)CCC(C)=NNc1ccc(Cl)c(Cl)c1 756878550 AJYYZFNWLMHIQX-UHFFFAOYSA-N 289.162 3.734 30 20 CHED Cc1cc(Cl)cc(C)c1C=NNc1nccnc1Cl 756889207 IEWOEPDNNPDDMB-UHFFFAOYSA-N 295.173 3.846 30 20 CHED CC(=NNC1CC1)c1sc(-c2ccc(C)cc2)nc1C 758132377 BUKCIIAEULDWCD-UHFFFAOYSA-N 285.416 3.903 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(CN(C)C)c(F)c1 758509532 GIWAJWVKJCRZDV-UHFFFAOYSA-N 290.382 3.594 30 20 CHED C[C@@H](Nc1ccc(C#N)nn1)c1ccccc1C(F)(F)F 759313730 OPUSIYFTLYOMRF-SECBINFHSA-N 292.264 3.540 30 20 CHED C=CCCC(=O)COC(=O)[C@H](C)Cc1ccccc1Cl 761431763 SPSRTKDIHYSLTG-GFCCVEGCSA-N 294.778 3.597 30 20 CHED C=CCOc1ccc(Oc2nc(C)nc(C)c2C)cc1 761908028 LKSZHRIAELMDJY-UHFFFAOYSA-N 270.332 3.759 30 20 CHED Cc1cc(C=NOCC(F)(F)F)c(OC(F)F)cc1C 764846697 NMMFFUQWDLLFBB-UHFFFAOYSA-N 297.223 3.818 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1cccc(C(=O)O)c1 765992574 LPVARRNZLSPGPH-JTQLQIEISA-N 260.337 3.609 30 20 CHED C#CCCCn1c(-c2ccccc2)c(CC)sc1=O 766292964 MTEORNMRAGYIOG-UHFFFAOYSA-N 271.385 3.553 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/C=C\c2ccccc2)cc1 767736854 NVEXKOHARYIRMV-VTBWALSUSA-N 292.334 3.926 30 20 CHED O=C(O)c1ccccc1NN=Cc1ccc(F)cc1Cl 767762118 FRGSNOKMWUIDHT-UHFFFAOYSA-N 292.697 3.623 30 20 CHED Fc1cc(F)c(C=NNCc2ccccc2Cl)cc1F 767777628 WHCCQFAKRVUCFH-UHFFFAOYSA-N 298.695 3.881 30 20 CHED CC(C)[C@H](Cc1ccccc1)C(=O)OCC1(C#N)CCC1 768085729 DXEXHBJWFIYKLO-INIZCTEOSA-N 285.387 3.738 30 20 CHED C=C(Cl)CN[C@@H](C)c1cc(Cl)c(OC)cc1OC 773004280 JOVNNTGAYKWNEU-VIFPVBQESA-N 290.190 3.760 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1c(F)cccc1Cl)C1CC1 773010875 HGSUVFLPJBDPHB-LSDHHAIUSA-N 297.801 3.847 30 20 CHED C#CCCCCN[C@H](CCC)c1ccc(OC)cc1 773034604 DOYKSDJLBDDBQF-QGZVFWFLSA-N 259.393 3.930 30 20 CHED Cc1cc(/C=C2\Oc3cc(F)ccc3C2=O)cc(C)c1O 773174750 WNBJXPPGKYPSHP-CHHVJCJISA-N 284.286 3.764 30 20 CHED C=C(CC)COC(=O)c1nc(Cl)ccc1Cl 773429419 PCKPHPHRYKNVHI-UHFFFAOYSA-N 260.120 3.511 30 20 CHED O=C(C#Cc1ccccc1)Nc1ccc(-c2ccc[nH]2)cc1 775558528 LFZPMMIHTKSREW-UHFFFAOYSA-N 286.334 3.672 30 20 CHED C=C(C)CCN(Cc1ccccc1)C[C@H](O)c1ccco1 775613827 UUOHCAGLGATGDN-KRWDZBQOSA-N 285.387 3.781 30 20 CHED N#CC1(COC(=O)CCSc2ccc(Cl)cc2)CC1 775827772 IUGRIZHCVCZPRM-UHFFFAOYSA-N 295.791 3.669 30 20 CHED Cc1cccc(C(=O)OCc2ccc(CC#N)cc2)c1F 776113962 UGVKZBYPEVLJSK-UHFFFAOYSA-N 283.302 3.557 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CC[C@@H](C)C1 776291335 KQGRWLADKKTXNS-MWLCHTKSSA-N 293.750 3.562 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)Cc1ccccc1CC#N)C1CC1 776897434 SAKDLSSPEQVZOV-CABCVRRESA-N 298.430 3.721 30 20 CHED Fc1ccc(C=NNCc2ccc(Cl)cc2Cl)cn1 777431322 RERTXEFRAYEJCY-UHFFFAOYSA-N 298.148 3.651 30 20 CHED CC(C)(C)C1CCC(=NNc2cc(Cl)nc(N)n2)CC1 778544984 JXLKZXXEMVHLQV-UHFFFAOYSA-N 295.818 3.716 30 20 CHED C#CCCCCCC(=O)N1CCCc2cc(F)c(F)cc21 779832338 MDFYLJRWWTUBSO-UHFFFAOYSA-N 291.341 3.828 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1ccccc1O[C@@H](C)C#N 780148493 GIOQXWICCLRHQZ-OWRWYXLESA-N 272.348 3.662 30 20 CHED Cc1cc(NN=C2CC[C@](C)(c3ccccc3)C2)ncn1 780227872 VFWHXYSIKRPJRA-KRWDZBQOSA-N 280.375 3.695 30 20 CHED CC(=NNc1ncncc1Cl)c1ccccc1Cl 780280308 OBCOZBPEPLTSBT-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CC(=O)Nc1ccc(C(C)=NNc2ccc(C)cc2)cc1 781573337 BWYSFCLYDKKIAW-UHFFFAOYSA-N 281.359 3.790 30 20 CHED C=CCCC(=O)O[C@H](c1ccncc1)c1cccc(OC)c1 782449135 MIMXMUJUPWRHIS-GOSISDBHSA-N 297.354 3.689 30 20 CHED Cc1ccc(O[C@@H](C)C(=O)OCCCC(C)(C)C#N)cc1 782603017 CHWIKQNMVCTWGJ-AWEZNQCLSA-N 289.375 3.636 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2NCc2ccc(C#N)cn2)cc1 783301477 WXQGWWQQLOMPNO-RTBURBONSA-N 291.398 3.688 30 20 CHED Cc1cc(/C=C\C(=O)c2cscn2)cc2cccnc12 783712185 DAHGXRMSTZTHDE-PLNGDYQASA-N 280.352 3.896 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc([N+](=O)[O-])cc1 783769737 AEZZYKIJTPPQBO-VXGBXAGGSA-N 261.325 3.819 30 20 CHED CC/C=C(/C)C(=O)OCc1ccc(C#N)cc1Cl 784194260 LMVLFMRHHKXTOG-WMZJFQQLSA-N 263.724 3.611 30 20 CHED C=C[C@@H]1CCCCN1c1ccnc2cc(OC)ccc12 784676806 POPSXWLKJMPDEL-CYBMUJFWSA-N 268.360 3.788 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](CC)c1cc(F)ccc1F 791066935 GZKTYMFRJCFWPS-SWLSCSKDSA-N 294.345 3.517 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2OC(C)C)no1 791431234 HSNWTFRLIQEDBF-CMDGGOBGSA-N 271.316 3.666 30 20 CHED CSCCON=C[C@H](OC(C)C)c1ccccc1 793055005 YRGHTLCWTMZPJU-AWEZNQCLSA-N 267.394 3.518 30 20 CHED C[C@@H](NN=Cc1cc(Br)cs1)C(C)(C)C 793115093 KHSWUDPLMIYETE-MRVPVSSYSA-N 289.242 3.869 30 20 CHED CC(Cn1nc(C)cc1C)=NO[C@@H](C)c1cccc(C#N)c1 794715710 LXEPIOLUIKEXCT-HNNXBMFYSA-N 296.374 3.525 30 20 CHED CCc1cccc2c1OC/C(=C\c1cccc(C#N)c1)C2=O 794729149 YPCHDERGGATXKG-MHWRWJLKSA-N 289.334 3.779 30 20 CHED C(CCc1ccc(-c2ccccc2)cc1)=NN1CCOCC1 794858794 WFHQIKUBVUVKRT-UHFFFAOYSA-N 294.398 3.604 30 20 CHED FCC[C@@H]1CCCC1=NNCCCc1ccccc1 794909388 QFHGEWXOUOBBGR-HNNXBMFYSA-N 262.372 3.725 30 20 CHED Fc1cccc(NN=Cc2ccccc2N2CCCCC2)n1 795007678 LVTXHQPOBXYXNS-UHFFFAOYSA-N 298.365 3.657 30 20 CHED C=C(C)CNC(=S)N1C[C@H](C)C[C@H]1c1ccccc1 795156879 LIMYYAFRAGEWNQ-HIFRSBDPSA-N 274.433 3.520 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C/c1ccc2[nH]ccc2c1 798554118 MNTBGCFTCAOQCX-HEWZJLJBSA-N 268.360 3.652 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)C1 799725678 JKKCABIERXSYER-OAOQPFQOSA-N 281.403 3.779 30 20 CHED Fc1cc(F)c(NN=C2CCCC23CCOCC3)cc1F 799880432 PDKBFVRCGRBIPX-UHFFFAOYSA-N 298.308 3.853 30 20 CHED N#Cc1ccc(F)cc1COC(=O)[C@H]1CCCC(F)(F)C1 800283681 VCLITLUZVPSHTB-JTQLQIEISA-N 297.276 3.566 30 20 CHED N#Cc1ccc(C/N=C/c2ccccc2O)cc1Cl 800790809 VWKDKVAXDFDSNN-VCHYOVAHSA-N 270.719 3.536 30 20 CHED C[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1ccsc1 801017735 GMPQBHZURCUSMW-NNNHXZLVSA-N 282.368 3.510 30 20 CHED N#Cc1ccc(CNC(=O)/C=C/c2ccccc2)cc1Cl 801070845 RGUHOFFCFNBWSH-VQHVLOKHSA-N 296.757 3.541 30 20 CHED N#C[C@H](OC(=O)c1cc(Cl)ccc1N)C1CCCCC1 801211398 FEYNHLCNIHHEGC-AWEZNQCLSA-N 292.766 3.551 30 20 CHED CCN(CCO[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 801915695 MDRHXUNHIUZNKL-ZIAGYGMSSA-N 286.375 3.744 30 20 CHED C[C@H](C#N)OCCN1CCCSc2ccc(Cl)cc21 801934272 IZZGSACCEAAZGF-LLVKDONJSA-N 296.823 3.571 30 20 CHED C=C(C)CN(C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 801938689 HSLWCXJRJRRZGB-HNNXBMFYSA-N 296.455 3.532 30 20 CHED C[C@H](C#N)OCCN1C[C@H](c2ccccc2)c2ccccc21 801949038 AOKDPPJYBNSXIY-CRAIPNDOSA-N 292.382 3.567 30 20 CHED Cc1cc(NC(=O)c2ccc(F)c(C#N)c2)c(C)c(C)c1O 803116911 KULFKMCZAZCWAO-UHFFFAOYSA-N 298.317 3.581 30 20 CHED C#C[C@@H](NC(=O)CCCCC)c1ccc(Cl)cc1F 804414833 RMERYUBRBWGWRA-CQSZACIVSA-N 281.758 3.850 30 20 CHED C=CCCCCCCCCNC(=O)c1c(C)noc1C 807844853 RMQNVNSACCZMFA-UHFFFAOYSA-N 278.396 3.938 30 20 CHED C=CCCC(=O)COC(=O)c1cc2cccc(C)c2s1 808630661 MGCSELKZAVBNEN-UHFFFAOYSA-N 288.368 3.902 30 20 CHED C=CCSCCN[C@@H](C)c1cc(Cl)cc(C)c1O 808706083 XINGJEMMKAYLCG-NSHDSACASA-N 285.840 3.924 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@](C)(C#N)CSC 809137124 RPNBZJKZWATJCG-DZGCQCFKSA-N 284.469 3.744 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc(F)c(F)c2)no1 810308452 YNONASOIVFVVIW-UHFFFAOYSA-N 296.276 3.587 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CCCSC1)c1ccc2ccccc2n1 810521175 LLWRNMTZJSEUTC-ZIAGYGMSSA-N 296.395 3.554 30 20 CHED Cc1c(C(=O)OC2(CC#N)CCC2)cnc2ccccc12 810856792 FIJIJPPYMNMPEO-UHFFFAOYSA-N 280.327 3.536 30 20 CHED C=CCCCCOC(=O)/C=C/SCc1ccco1 811011759 LNMAKRNQTBCGMF-DHZHZOJOSA-N 266.362 3.926 30 20 CHED Cc1cc(C)cc(/C=C2/Cc3ccc(C#N)cc3C2=O)c1 811692933 DDOYOQOUBHIXRT-IUXPMGMMSA-N 273.335 3.998 30 20 CHED C#C[C@@H](Nc1nc(C)nc(C)c1C)c1ccc(Cl)cc1 811862223 UJORDMCQEFMBMF-OAHLLOKOSA-N 285.778 3.842 30 20 CHED C#C[C@@H](NC(=O)C(C1CC1)C1CC1)c1ccc(Cl)cc1 811947768 NYQHGWBVGZJKAS-OAHLLOKOSA-N 287.790 3.567 30 20 CHED CCC(=NOC1CCC1)c1ccc2c(c1)CCCO2 812235815 BRIIKGQCZTTXFU-UHFFFAOYSA-N 259.349 3.695 30 20 CHED CSc1ccccc1[C@H](C)OC(=O)CCCC#N 813098916 XQPMGYADTNOVOO-NSHDSACASA-N 263.362 3.707 30 20 CHED CC[C@@H](C)Oc1cc(C=NOCC2CC2)ccc1OC 814243561 CLXBAKJRQCLBPJ-GFCCVEGCSA-N 277.364 3.633 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(N(C)C)c(C)c1 814574635 FOQMIOKJQPVTDQ-UHFFFAOYSA-N 289.423 3.785 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 814659940 XXMHUZWVRMHQRJ-AWEZNQCLSA-N 288.391 3.650 30 20 CHED CCOC1CC(=NNc2ccc(Cl)cc2Cl)C1 814751080 GCLDKDHOFPVPBS-UHFFFAOYSA-N 273.163 3.960 30 20 CHED CCC(=NNc1cccc(F)n1)c1ccc(Cl)c(N)c1 814927936 NYEGVPYAHZBPBH-UHFFFAOYSA-N 292.745 3.683 30 20 CHED C=CCN(Cc1cncc(Br)c1C)C(C)C 824581025 OAGTWQDUZPNHGH-UHFFFAOYSA-N 283.213 3.549 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1nccc2occc12 826555452 SWZYELWRHZOUBW-UHFFFAOYSA-N 299.374 3.620 30 20 CHED CSCC1CCC(=NNC2CCCCC2)CC1 834971307 DJURTTLMVVOEEF-UHFFFAOYSA-N 254.443 3.818 30 20 CHED CC[C@H](C)CON=C(C)c1nc(Br)cs1 834981614 UDVJAJQZYLSUEI-ZETCQYMHSA-N 291.214 3.692 30 20 CHED CCc1cccnc1C(C)=NN[C@@H]1CCc2c(F)cccc21 835019954 HVZVVZBQNPBEHN-QGZVFWFLSA-N 297.377 3.784 30 20 CHED COc1cccc([C@H]2C[C@@H](C)CN2C(=O)C#CC(C)(C)C)c1 837524718 INRILTBIQXFVCF-RHSMWYFYSA-N 299.414 3.654 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(Cl)cs2)C1 839060474 VIMSSCXWQGNJMQ-SCZZXKLOSA-N 269.753 3.641 30 20 CHED CCC[C@H](C/N=C/c1c(O)ccc2ccccc12)OC 840705165 CETBBOWVOSBHCN-CRRKTRLDSA-N 271.360 3.779 30 20 CHED C=C(C)CCNC(=S)Nc1ccc(OC)c(Cl)c1 840792934 PGENVRUOMHHNGS-UHFFFAOYSA-N 284.812 3.601 30 20 CHED C#CC1CCN(Cc2cnc(C3CCCC3)s2)CC1 843426633 DLXCGQNVYGMBLZ-UHFFFAOYSA-N 274.433 3.646 30 20 CHED C[C@H]1CCCCCC1=NNc1ccc2c(=O)[nH]ccc2c1 844595181 XLAJXBDFWFMNHQ-LBPRGKRZSA-N 283.375 3.896 30 20 CHED CC[C@H](CC#N)OC(=O)[C@@H](C)c1ccc(Cl)cc1 845528368 GJQCSOBAOISEQC-GXFFZTMASA-N 265.740 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C#Cc1cccc(N(C(=O)CC[C@H]2CC[C@@H](C)O2)C(C)C)c1 75200167 GKRNTQSWPDBIMB-CRAIPNDOSA-N 299.414 3.757 30 20 CHED CCS[C@@H]1CC[C@@H](N(C)Cc2ccccc2C#N)C1 76069625 PWVWTDCGTSMSFI-HZPDHXFCSA-N 274.433 3.664 30 20 CHED CC[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 78492651 ZPAWIZZXECFOIB-ZJUUUORDSA-N 276.405 3.729 30 20 CHED C[C@H](C#N)CNC(=O)Nc1cccc(-c2cccs2)c1 84908737 DJDPHWNNJQGKRH-LLVKDONJSA-N 285.372 3.696 30 20 CHED C#CCCNc1ccc(Cl)cc1Br 88122824 LFIUWVNSHYGWJR-UHFFFAOYSA-N 258.546 3.538 30 20 CHED N#Cc1ccc(NC(=O)c2cccs2)cc1C(F)(F)F 88191810 UGCIQSMDTUKVNY-UHFFFAOYSA-N 296.273 3.891 30 20 CHED N#Cc1ccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)nc1 89269337 KBCMZYHXLBULCX-GOEBONIOSA-N 299.761 3.549 30 20 CHED C=CCCOCCN[C@@H]1CCc2cc(Cl)ccc21 90883537 KEIADLZZOXQEIA-OAHLLOKOSA-N 265.784 3.510 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cc(Cl)ccc1OC(C)C 92003549 HGIPTOAZGVNPPX-LBPRGKRZSA-N 294.782 3.549 30 20 CHED CCCO[C@H]1CCCN(CC(C)(C)CCC#N)CC1 93317848 JOMLBJMTUVMZRE-HNNXBMFYSA-N 266.429 3.597 30 20 CHED COc1cccc(Cl)c1CN(CC#N)C1CCCC1 93563168 VQMDKIAOAVOFOT-UHFFFAOYSA-N 278.783 3.617 30 20 CHED CC[C@@H](CC(=O)Nc1sccc1C#N)C(C)C 105363735 ZQJYEWVTXFNYKQ-JTQLQIEISA-N 250.367 3.631 30 20 CHED CC(C)CCN(CCCOc1ccc(C#N)cc1)C1CC1 106869353 DNDUYNVOSJZCFG-UHFFFAOYSA-N 286.419 3.838 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H](CCO)C1 106963687 NHSSHSYCXBOSPD-INIZCTEOSA-N 283.456 3.748 30 20 CHED C=CCNC(=O)CC1CCC(c2ccccc2)CC1 108252738 YAYFCGDJABMISG-UHFFFAOYSA-N 257.377 3.653 30 20 CHED C=CC1CCN(C(=O)CCCOc2ccc(C)cc2)CC1 110365021 RVORDUXRZWFQHN-UHFFFAOYSA-N 287.403 3.579 30 20 CHED C[C@@H](CC(=O)N(C)c1ccc(C#N)cc1)C(C)(C)C 111649863 VIHAJYXKPVDVFV-LBPRGKRZSA-N 258.365 3.593 30 20 CHED CCCCCCCCCC(=O)NC1CCC(N)CC1 115062081 FOEBNVYKRRMQQY-UHFFFAOYSA-N 268.445 3.513 30 20 CHED N#C[C@H](NC(=O)CCC1CC1)c1cccc(Cl)c1Cl 115376608 RNLDBAVJVLEFLD-LBPRGKRZSA-N 297.185 3.864 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 116853102 WMDQKFJWUAKZRV-GHMZBOCLSA-N 283.824 3.901 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC2(CCCCC2)CC1 116972045 MHYBTGYWBHXPKZ-AWEZNQCLSA-N 264.413 3.707 30 20 CHED CCCOc1ccc(NC(=O)C2(C#N)CCC2)cc1Cl 119072293 DOUCPHUOFHXZGC-UHFFFAOYSA-N 292.766 3.761 30 20 CHED N#CCOc1ccc(N[C@@H]2CCCc3occc32)cc1 122078853 DDVKAPQPCYOZMW-OAHLLOKOSA-N 268.316 3.671 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2sccc2C)CC1 122224872 KOQSLMXHPGLUFU-ZIAGYGMSSA-N 275.417 3.585 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc2ccccc2c1O 122277474 XMGLZYNERZMRMA-GFCCVEGCSA-N 268.360 3.746 30 20 CHED C=CCN(C(=O)c1cncc(OC(C)C)c1)c1ccccc1 122890217 KODAEBGYBYBRNN-UHFFFAOYSA-N 296.370 3.702 30 20 CHED C=C[C@@H](CC(=O)N1CCc2ccsc2C1)c1ccccc1 123752992 VJGGYZPPCQHGBV-AWEZNQCLSA-N 297.423 3.993 30 20 CHED COc1ccc(OCCSCCC(C)(C)C#N)cc1 123999958 RLNZHEGQPFUGCT-UHFFFAOYSA-N 279.405 3.747 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Cc1ccc(Cl)cc1 125744259 MIKBTTHBNZBEKK-WBMJQRKESA-N 292.810 3.573 30 20 CHED CCn1c(C(=O)O[C@H](C)C(C)(C)C#N)cc2ccccc21 131335761 LSOUBODBFXMFGT-GFCCVEGCSA-N 284.359 3.756 30 20 CHED C=CCCC1=NN=C(Nc2ccc(OC)c(F)c2)SC1 134438398 VVXCKDDIAQTNLO-UHFFFAOYSA-N 293.367 3.671 30 20 CHED C=CCCCNc1ccc(Br)c(OC)c1 147456735 UZPNEYUEEXYBIT-UHFFFAOYSA-N 270.170 3.836 30 20 CHED CC(C)(C)c1ncc(/C=C/C(=O)c2cncc(F)c2)s1 150953686 UDZFASKIXGVUHY-SNAWJCMRSA-N 290.363 3.871 30 20 CHED C[C@H](/N=C/c1c(O)ccc2ccccc12)C(=O)OC(C)(C)C 151345983 GQINAICYVZCXKR-MKFNJMOCSA-N 299.370 3.695 30 20 CHED Cc1ccsc1CCCC(=O)Nc1ccccc1C#N 154380169 ITDVZEOCVJAMLT-UHFFFAOYSA-N 284.384 3.890 30 20 CHED C#CCCOc1ccc(CNc2ccccc2OC)cc1 155343760 ZMBNVIKEJFEUAZ-UHFFFAOYSA-N 281.355 3.709 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CCO1 157863192 WPNOWPGRYLMBJZ-JOYOIKCWSA-N 284.281 3.556 30 20 CHED Cc1ccc(F)c(OCc2ccc(F)c(C#N)c2)c1 158626906 CVUQXXYABWOXFA-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CCC[C@H](C(=O)N(CC)c1ccc(C#N)cc1)C(C)C 159358742 ZWLHJHYYYJGLRK-INIZCTEOSA-N 272.392 3.983 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H](CC)c1ccc(F)cc1 161341466 TVVRUUNXAHOUBN-FZMZJTMJSA-N 281.396 3.701 30 20 CHED N#CCCN(Cc1csc(C2CC2)n1)Cc1ccco1 162138938 HCFCKEVOSVUAFD-UHFFFAOYSA-N 287.388 3.529 30 20 CHED C=CCn1cc(Br)c(-c2ccc(F)cc2)n1 165335054 BLWPOHPBYUWKPZ-UHFFFAOYSA-N 281.128 3.638 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1csc(C(C)C)n1 171548364 DDKGFUIFMYXHCJ-UHFFFAOYSA-N 293.436 3.668 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(C(F)F)c2)C1 172310663 DWXAYMGHSJXUBC-MEDUHNTESA-N 292.329 3.826 30 20 CHED C[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 174014582 QJUSMPXEIAFHEY-FRRDWIJNSA-N 282.343 3.830 30 20 CHED CC(C)[C@@H](CNCc1ccc(C#N)o1)c1ccccc1 174259335 NJASJUVPKJKVLT-QGZVFWFLSA-N 268.360 3.681 30 20 CHED C=CCCCC(=O)N1CC=C(c2ccc(F)cc2)CC1 175139826 AJRCGDVDHDMBEH-UHFFFAOYSA-N 273.351 3.798 30 20 CHED C=CCCCC(=O)N(Cc1ccc(F)cc1)C1CC1 175175604 LYWVKMMYTZZNCP-UHFFFAOYSA-N 261.340 3.673 30 20 CHED C=C(C)COc1ccc(-c2noc(C3CC3)n2)cc1 176660391 QZAAWGUNHDWEQJ-UHFFFAOYSA-N 256.305 3.569 30 20 CHED CCCC[C@@H](NC(=O)Cc1ccc(C#N)cc1)C1CCC1 177125486 OEPCYNUJLMZZAQ-QGZVFWFLSA-N 284.403 3.576 30 20 CHED N#Cc1csc(CNCCc2ccc(Cl)s2)c1 177686472 FMUJFDBCALDQJW-UHFFFAOYSA-N 282.821 3.667 30 20 CHED C=C(C)CS[C@@H](C)C(=O)NCc1ccccc1Cl 177865439 DSMQHMDVNBDVDX-NSHDSACASA-N 283.824 3.654 30 20 CHED C=CCN1CCC(N[C@H](CC)c2ccc(F)cc2)CC1 177912099 KZPJMZWCBOEVPR-QGZVFWFLSA-N 276.399 3.517 30 20 CHED Cc1ccc(C#N)c(NCCc2ccc(Cl)s2)n1 179759554 INJOPQKKNHXDBF-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1cccc(F)c1F 179912837 WMMIOFWYINFLBG-NSHDSACASA-N 272.298 3.687 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC=C(c2cccc(C)c2)CC1 180366681 STAVDBOVPPGWAK-OAHLLOKOSA-N 284.403 3.758 30 20 CHED C[C@H]1CCCC[C@@H]1CN(CCC#N)Cc1cccnc1 182944836 PLKQAVJRKMJVLQ-DOTOQJQBSA-N 271.408 3.624 30 20 CHED N#CC1(COC(=O)c2coc(-c3ccccc3)n2)CCCC1 183852678 LKBLESLRFYPRIT-UHFFFAOYSA-N 296.326 3.582 30 20 CHED C#CCC(C)(C)C(=O)N(CC)Cc1cccc(Cl)c1 185234901 UYUXBIUXDCEKLC-UHFFFAOYSA-N 277.795 3.738 30 20 CHED CC#CCCCC(=O)Nc1cccc(CC(F)(F)F)c1 185710048 CKFULYRFIVLDAB-UHFFFAOYSA-N 283.293 3.924 30 20 CHED C=CCC[C@H](CC)NCC[C@@](C)(O)c1ccccc1 187924516 XWFAHXPWYXJRIN-DLBZAZTESA-N 261.409 3.619 30 20 CHED C[C@H](Cc1ccc(Br)cc1)NCCCCC#N 188182178 MMUJYNLDLJTUFR-GFCCVEGCSA-N 295.224 3.664 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1nc(C(C)(C)C)cs1 188284529 XPFIDSXOZIDXLV-OAHLLOKOSA-N 280.437 3.659 30 20 CHED CCCCCCCCC(=O)Nc1ncccc1NC(C)=O 189205325 WFPKKWLBVMSWKV-UHFFFAOYSA-N 291.395 3.729 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 189380329 FCOHCTGNDGQLTR-QGZVFWFLSA-N 281.355 3.994 30 20 CHED C[C@H](SC[C@@H]1CCCCO1)c1cccc(C#N)c1 190782550 DHTZAVKQRCIETB-WFASDCNBSA-N 261.390 3.922 30 20 CHED CCN(C)c1ccc(/C=C2/CCCC(C)(C)C2=O)cn1 191321883 YJXHTXIVYTZYOB-KAMYIIQDSA-N 272.392 3.700 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(N(C)C(C)C)nc1 191327168 XPTPFSJHTGEJPP-FNORWQNLSA-N 284.359 3.724 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2cc(F)c(F)cc21 191830280 CINDFOPZEQKUGY-MRXNPFEDSA-N 279.330 3.846 30 20 CHED C#CCCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 192138081 CRJZREZTYQJQEV-CJNGLKHVSA-N 273.351 3.539 30 20 CHED CCC(C)(C)CNCc1ccc(O[C@@H](C)C#N)cc1 192352593 LZVZWAUWZDMIHA-ZDUSSCGKSA-N 260.381 3.503 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2)cc1 193058952 QYFJOFJUKOMYIT-UHFFFAOYSA-N 293.370 3.809 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1cccc(F)c1 194590324 JGUJHDLMYZALBM-CMDGGOBGSA-N 251.260 3.593 30 20 CHED C[C@@H](CC#N)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 194643677 VZTMYHSIVLNBNL-ZETCQYMHSA-N 296.157 3.507 30 20 CHED CCCCCCOc1ccc(C(=O)N[C@H](C)CC#N)cc1 194668921 NXVSITVNRSQCTL-CQSZACIVSA-N 288.391 3.678 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(CSC)cc2)c1 198985783 VKXBNMOMFVDGJJ-UHFFFAOYSA-N 281.380 3.783 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2F)cc1F 206165076 LYSTZYCCJZIEBR-VURMDHGXSA-N 274.266 3.870 30 20 CHED C[C@H]1C[C@@H](C)CN(c2ccc(C#N)c(Br)c2)C1 228176282 UWMCKCOCYHRERY-PHIMTYICSA-N 293.208 3.803 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccccc1SC 232265643 FGHXUJRYZCMAFZ-UHFFFAOYSA-N 262.378 3.677 30 20 CHED C=C(Br)CNC[C@H](c1ccccc1)C(C)C 232741943 LAXWMMOOSXRRAK-AWEZNQCLSA-N 282.225 3.924 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cc(Cl)cc(Cl)c1 233896081 INSOMKUVYSOHIM-JTQLQIEISA-N 271.147 3.527 30 20 CHED C=CCSCCNCc1ccc(-c2ccccc2)o1 236688153 WXKQBGGNMWLXRW-UHFFFAOYSA-N 273.401 3.955 30 20 CHED C=C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 237568187 MCLGCXNNNKVWTI-NSHDSACASA-N 288.372 3.987 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(C#N)s1 245741661 LXUILEHTIXEJDB-TYNCELHUSA-N 260.406 3.773 30 20 CHED COc1ccc(O)c(C=Nc2ccc3scnc3c2)c1 255412368 IAGAWAGHTRGDBF-UHFFFAOYSA-N 284.340 3.761 30 20 CHED CC(C)c1cccc2c1OC/C(=C/c1cncs1)C2=O 255658090 QDYPDRKVJIAIPX-WDZFZDKYSA-N 285.368 3.925 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(Cl)c1OC)OCC 270007068 AGLUWLWCVSPTHG-CYBMUJFWSA-N 297.782 3.658 30 20 CHED C=CCN(C(=O)c1ccc(Cl)cc1Cl)C1CC1 271509599 LRKWUSPJCVNPFM-UHFFFAOYSA-N 270.159 3.784 30 20 CHED C=CCN(C(=O)Nc1ccc(OC(C)C)cc1F)C1CC1 271621580 XTBNDNYHVIXFDK-UHFFFAOYSA-N 292.354 3.795 30 20 CHED CC(C)(C#N)c1ccccc1CS[C@H]1CCCOC1 272500350 UDWQEWNBUXEPLW-AWEZNQCLSA-N 275.417 3.900 30 20 CHED CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCC#N 273142455 VWXQZNKWYJCMAB-SJORKVTESA-N 299.418 3.658 30 20 CHED C=CCC[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccco1 276387590 AWTWTTYJMDEPHC-HOTGVXAUSA-N 297.402 3.550 30 20 CHED C#CCCCCC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 279881824 DNELWUADQFQSNT-RDJZCZTQSA-N 287.378 3.772 30 20 CHED CC1(CCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 279976513 JIZRIZQMRIWVOB-UHFFFAOYSA-N 285.391 3.799 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(C#N)cs1 288539347 HHTNKBBXFPOKDP-YPMHNXCESA-N 290.432 3.907 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2ccc(F)cc2Cl)no1 290205155 VEMCWOSXTUPPRD-CQSZACIVSA-N 293.729 3.644 30 20 CHED CN(C(=O)CCCC#N)c1cc(Cl)cc(Cl)c1 292120028 ULNDILFKMXIJME-UHFFFAOYSA-N 271.147 3.650 30 20 CHED N#CCCCCN1C[C@@H]2CCCCN2c2ccccc21 293090442 PMDREMRQCCPFFN-HNNXBMFYSA-N 269.392 3.559 30 20 CHED CC(C)(C(=O)NCCCCC#N)c1cccc2ccccc12 294544707 JRRZPSZTSSNOQB-UHFFFAOYSA-N 294.398 3.927 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc2ccccc2c1O 295105333 HPMZGIRTYUZAMP-INIZCTEOSA-N 297.398 3.949 30 20 CHED CC(C)c1nnc(COc2ccc(C#N)cc2Cl)s1 295747968 NKXNCSOFRNMBGM-UHFFFAOYSA-N 293.779 3.766 30 20 CHED N#CC1(C(=O)Nc2ccc3c(c2)CCCC3)CCCC1 296004871 KWLHFQVVBAPJCT-UHFFFAOYSA-N 268.360 3.588 30 20 CHED CC[C@H](C)OCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297738274 KMORHOBZWMUFBV-JTQLQIEISA-N 294.420 3.671 30 20 CHED N#Cc1cc(F)ccc1NCCCOC1CCCCC1 301210075 UDIUADBBKMWXTF-UHFFFAOYSA-N 276.355 3.849 30 20 CHED CCCC[C@H](COC)Nc1ccc(C#N)c(Cl)c1 301275690 LZBQXYOJQNUHKG-CYBMUJFWSA-N 266.772 3.829 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CCC2(CCCC2)C1 301417049 BIVXXLPUSWSEOM-UHFFFAOYSA-N 295.308 3.743 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@H](c2ccc(F)cc2)C1 301550094 GLYWNMDSWBUAFY-ZDUSSCGKSA-N 284.309 3.830 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C#N)cc2)CN1Cc1ccccc1 301641445 YZWPDTMMEHBDIU-BEFAXECRSA-N 291.398 3.633 30 20 CHED N#Cc1ccc(Oc2ccc(OC3CCCCC3)cc2)nn1 301988801 LOPJARYSIDOTKX-UHFFFAOYSA-N 295.342 3.852 30 20 CHED C=CCCC[C@@H](C)Nc1ccc2nnc(C(C)(C)C)n2n1 302495238 UDXYKQPULBCMDY-GFCCVEGCSA-N 287.411 3.579 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(C)c1Cl 306052994 ULQLAFGWTQOIJK-UHFFFAOYSA-N 264.756 3.917 30 20 CHED Cc1ccsc1CNc1nc(C)c(C#N)cc1Cl 310919783 CHHFPXPLMFMLEU-UHFFFAOYSA-N 277.780 3.897 30 20 CHED C=CCC[C@@H](CO)Nc1ccnc2cc(Cl)ccc12 320610683 COXSOVKKPHKSFP-LBPRGKRZSA-N 276.767 3.627 30 20 CHED C[C@H](N[C@H](C1CCC1)C1CC1)c1cccc(C#N)c1 325062176 SUVHFZRBLGXXML-YVEFUNNKSA-N 254.377 3.788 30 20 CHED C[C@H](/N=C(/O)[C@H]1CCC(=O)[C@H](C)C1)c1nc2ccccc2[nH]1 328945239 VAUFDVKTDAKWJW-WOPDTQHZSA-N 299.374 3.586 30 20 CHED C[C@@H]1CC[C@@H](/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)C1 329224733 CPHSUDMMBKZKCU-HKUMRIAESA-N 280.412 3.913 30 20 CHED Cc1nnccc1N=C(O)C12CC3CC(CC(C3)C1)C2 329469816 XTQYLHMTSBGKSA-UHFFFAOYSA-N 271.364 3.589 30 20 CHED CC(C)CC(C)(C)C/N=C(/O)N[C@@H]1CCO[C@@H](C(C)C)C1 330632490 QXXWEODJPSYBBV-HUUCEWRRSA-N 298.471 3.766 30 20 CHED Cc1cc[nH]c1/C(O)=N/CC1(O)CCC(C(C)(C)C)CC1 331214635 BSNSMLZXABTUOS-UHFFFAOYSA-N 292.423 3.595 30 20 CHED Cc1nnc([C@@H](C)Sc2ccccc2C#N)s1 334809589 INDMXWOMIDZLCZ-MRVPVSSYSA-N 261.375 3.572 30 20 CHED CC(C)n1ncc2ccc(N[C@@H]3CC[C@H](C#N)C3)cc21 336171112 GWGZPNXLQNABHD-GXTWGEPZSA-N 268.364 3.721 30 20 CHED C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)C1 336197111 QLJKXBOAZRJCKA-XJKSGUPXSA-N 282.387 3.502 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N1CCC(CC#N)CC1 336263745 MDQLRCXRECTXAQ-NSHDSACASA-N 264.319 3.651 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(-c3ncco3)c2)s1 338265277 FPQKZHHMQHNUMW-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=C(C)COc1cccc(NC(=O)c2c[nH]cc2C)c1 340147287 DXXLUDAIZZTXTP-UHFFFAOYSA-N 270.332 3.530 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)c1cccc(C#N)n1 340769756 BQGBSAVIQROGBY-MRXNPFEDSA-N 281.359 3.549 30 20 CHED C[C@@H]1CCN(Cc2cccc(C#N)c2F)CC12CCC2 341150781 XWKLDBUFTNFYDV-CYBMUJFWSA-N 272.367 3.709 30 20 CHED N#CCSCCCSc1ccc(F)cc1F 341938801 AGACWHBTVJWRMC-UHFFFAOYSA-N 259.346 3.704 30 20 CHED N#Cc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2Cl)nc1 342182844 AIMYUUIHHVTSJB-DJWKRKHSSA-N 285.690 3.685 30 20 CHED Cn1cc(CN2CCCC[C@@H]2c2ccccc2)cc1C#N 343666844 YQMGMRCPUIVXSU-GOSISDBHSA-N 279.387 3.624 30 20 CHED Cc1csc(NC(=O)Cc2ccc(Cl)cc2)c1C#N 344886301 DBGURCCSAABHEY-UHFFFAOYSA-N 290.775 3.763 30 20 CHED C=CCN(Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 350271999 WLTDLLVIBOQIHY-UHFFFAOYSA-N 281.783 3.508 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2cc(F)ccc2OC)CC1 354605485 RLQYGXSPMZAQCL-GFCCVEGCSA-N 291.366 3.758 30 20 CHED CC(C)N(CCCOc1cccc(C#N)c1)C1CCC1 357701753 CHYGAQRJYLBXBL-UHFFFAOYSA-N 272.392 3.590 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 357793119 MWBHVUMUXKUOAC-GFCCVEGCSA-N 298.317 3.503 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(SC2CCCC2)cc1 357803690 PWQZZUZQCWTLND-NSHDSACASA-N 274.389 3.819 30 20 CHED C=CCn1c(SCC(=C)CC)nnc1-c1ccccn1 358555848 DSMABJGRRIFIAF-UHFFFAOYSA-N 286.404 3.584 30 20 CHED CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 358576838 BMLBDOHUYIFEQJ-UHFFFAOYSA-N 284.746 3.765 30 20 CHED C=C(CC)CN(Cc1cccs1)C[C@H]1CCCO1 358622080 DTBLXJGAPMAVBI-CQSZACIVSA-N 265.422 3.695 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc([C@@H](C)C2CC2)no1 361272022 MJNGUFKOEVSNTA-QWRGUYRKSA-N 267.332 3.607 30 20 CHED Cc1cccnc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 361994458 AUYSVRKIBPCZPJ-MJGOQNOKSA-N 291.398 3.662 30 20 CHED C=CCC1(C(=O)N2CCO[C@H](c3ccccc3C)C2)CCC1 364193699 DXVKKZUDKRSXND-KRWDZBQOSA-N 299.414 3.641 30 20 CHED COc1cc(CN2CC(C)(C)[C@H]3CCC[C@H]32)ccc1C#N 378818746 DDNHWDYAWHWROH-JKSUJKDBSA-N 284.403 3.577 30 20 CHED CC[C@H](N[C@H](C)CC#N)c1ccc(Br)cc1 379437027 HXOMMAWTKLRILE-MFKMUULPSA-N 281.197 3.792 30 20 CHED CN(Cc1cccc(C#N)c1)[C@H]1C=CCCCCC1 388871467 FRIDZUFKZRDEOK-KRWDZBQOSA-N 254.377 3.879 30 20 CHED Cc1nc(N2CC(C)(C)[C@H]3CCC[C@@H]32)c(Cl)cc1C#N 393463314 KSUHZUCNKIFIDO-JSGCOSHPSA-N 289.810 3.930 30 20 CHED Cc1ccc([C@@]2(C)CCN([C@@H](C)CCC#N)C2)cc1 411675037 OMDVELILXJRHLQ-RDJZCZTQSA-N 256.393 3.651 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](C)CC 412843589 SHQTUPALGNQWTE-GDBMZVCRSA-N 259.393 3.726 30 20 CHED CC[C@H](N[C@@H](C)[C@@](C)(OC)C1CC1)c1ccc(C#N)cc1 414250430 XVDWQJGCJDGFES-DOPJRALCSA-N 286.419 3.803 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCOC2(CCC2)C1 414302068 NIJKPKMZOKZFCY-MSOLQXFVSA-N 285.431 3.865 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1nc(C)cs1 414541457 WBDPISOXIUPRNU-OAHLLOKOSA-N 272.417 3.729 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1CC1(C)C 416844935 UGNBGJWWWKWFCP-LSDHHAIUSA-N 285.391 3.699 30 20 CHED C[C@@H]1C[C@@H]1[C@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 420606162 WWVUVBCPCZMZIS-FUEDEBDSSA-N 298.777 3.811 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(OC)cc1Cl 424298343 IPBCGMSKVKOHRE-GFCCVEGCSA-N 283.799 3.592 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H](C)C2 424318186 CPXSAVKJMXMIDT-YOKBYHGQSA-N 254.377 3.510 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCCC[C@H]1C 425607517 NQJCRYFLCUKZHX-RISCZKNCSA-N 284.359 3.526 30 20 CHED C=CCC[C@H](NC(=O)NCCCC)c1ccccc1 434992007 PWXVRFWSLSPYQR-HNNXBMFYSA-N 260.381 3.793 30 20 CHED C=CCC[C@@H](C)NC[C@H]1CCCN1C1CCCCC1 436289193 MEACUJSBFKVAND-NVXWUHKLSA-N 264.457 3.728 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccccc1)C(C)C 436301986 QIJCPWVTRKDULE-SQNIBIBYSA-N 273.420 3.955 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC 438215595 ZFEPSUXWDUJTBD-NEPJUHHUSA-N 289.379 3.513 30 20 CHED Fc1ccc(C#CCN2CCS[C@H]3CCCC[C@@H]32)cc1 438544935 HACPIGZCNQKYCB-IRXDYDNUSA-N 289.419 3.537 30 20 CHED COCC[C@H](C)SCc1ccc(C#N)cc1Cl 438878812 YERANXJPSYCWPD-JTQLQIEISA-N 269.797 3.870 30 20 CHED CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCS1 439455391 UIUQLHQKLVOWSF-HNNXBMFYSA-N 294.851 3.785 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(Nc2cnn(C)c2)c1 443290949 DKASNNMKBVCGAU-KRWDZBQOSA-N 298.390 3.705 30 20 CHED Cc1cc(CN[C@@H](C)COc2cccc(F)c2)ccc1C#N 443975957 BPPZVTJYXGEBEX-AWEZNQCLSA-N 298.361 3.563 30 20 CHED C=CC[C@@H]1N(Cc2nc(CC(C)C)no2)CCCC1(C)C 444788606 WYARYARQVNWQGM-AWEZNQCLSA-N 291.439 3.835 30 20 CHED C=CCCCc1nc(C(C)(C)c2ccccc2OC)no1 445682633 ILMGYDWJWIHDAP-UHFFFAOYSA-N 286.375 3.913 30 20 CHED Cc1cc(CNc2ccc(C(F)(F)F)nc2)ccc1C#N 446948370 OOWFUIIZKGVXMB-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=CC(C)(C)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 450669174 AVGFOCKRZXRENU-SECBINFHSA-N 265.319 3.682 30 20 CHED C=CCC1(C(=O)N[C@H]2CC[C@H](F)C2)CCCCC1 451761894 IDAYCEOXKXGHPP-STQMWFEESA-N 253.361 3.520 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 452775021 NIVCGCRFLNIUNF-VQIMIIECSA-N 283.415 3.609 30 20 CHED C=CCCc1noc(-c2ccc(CN3CCCCC3)cc2)n1 453228667 AWRMIUJAKCOTGM-UHFFFAOYSA-N 297.402 3.841 30 20 CHED CC(C)(CC#N)CNCc1cccc(Br)c1F 459659851 ABGMCFJWLPJRBW-UHFFFAOYSA-N 299.187 3.618 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@H](C)CC[C@@H]1C 460781689 VAKRPKDBXPEEHJ-KGLIPLIRSA-N 276.428 3.602 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1[C@@H](C)CCC 460934612 SXTSUQVDHLHNLO-ZFWWWQNUSA-N 276.428 3.568 30 20 CHED CC[C@@H](C(=O)N(CC)C[C@H](C)C#N)C1CCC(C)CC1 461003934 AZCMPQVJDGJIJB-GYTBAZASSA-N 278.440 3.847 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F 463693691 SJNUVZFDVBIYAJ-GHMZBOCLSA-N 294.301 3.534 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 464750265 LTEWXGGFSLJOQZ-WBMJQRKESA-N 290.382 3.931 30 20 CHED CC(C)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 464812287 KCXMOFOFYSLFEF-IAGOWNOFSA-N 256.393 3.804 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCCOCc1ccccc1 466765064 NXFKDMLQGZNLNK-GOSISDBHSA-N 289.419 3.654 30 20 CHED C=CC[C@H](CC)N[C@H](C)CCc1n[nH]c2ccccc12 467404481 KNTNAIWZHGGZCB-KGLIPLIRSA-N 271.408 3.828 30 20 CHED C=C(C)CN(Cc1ccccc1)CC(C)(C)COC 475278727 JWHWCEPKXJGXQJ-UHFFFAOYSA-N 261.409 3.737 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CC[C@@H](C)C1)c1ccccc1 478129284 BVRBPSVXQCUTIE-INMHGKMJSA-N 271.404 3.899 30 20 CHED COc1ccc(Cl)c(COc2ccc(C#N)cc2F)c1 478725188 RXEPSUJNWJYJEF-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C#C[C@@H](NCc1csc(C)n1)c1ccc(Cl)cc1 491761571 WGEAHHYZFOGCMY-CQSZACIVSA-N 276.792 3.569 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC(C)(C)c1ccccc1 494702730 LQSNQXDZRSSOSW-MRXNPFEDSA-N 286.419 3.714 30 20 CHED C=CC1CCN(Cc2ccc(Oc3ccccc3)nn2)CC1 499056494 POCQFGKTKGJJDA-UHFFFAOYSA-N 295.386 3.667 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@@H](COc2ccccc2)C1 503305595 UOADVYZPKPSFOC-CQSZACIVSA-N 296.345 3.603 30 20 CHED C[C@H](N[C@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1 507246381 IPTOMYUQVWTNQX-QWHCGFSZSA-N 290.370 3.846 30 20 CHED N#Cc1ccc(Nc2ccc(N3CCCCC3)nc2)c(F)c1 507607154 PSPZSDCRTJBOBR-UHFFFAOYSA-N 296.349 3.826 30 20 CHED C=CCOc1ccc(CNc2ncccc2Cl)cc1 508488898 OHPSHSMFZXKEPL-UHFFFAOYSA-N 274.751 3.912 30 20 CHED C=C(C)CCc1noc(-c2cnn(CC(C)C)c2CC)n1 508688060 WCDBZPXOBSSERU-UHFFFAOYSA-N 288.395 3.660 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C)Cc2ccccc21 509516411 OAXCAYDWUBMUAZ-CYBMUJFWSA-N 290.366 3.706 30 20 CHED C=CCC[C@@H](N[C@H](C)CC(=O)OC(C)(C)C)c1ccco1 513707400 CDQCHAYKBDFPMA-ZIAGYGMSSA-N 293.407 3.997 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)CCC(C)C)cc1 514768544 CGUOBIBKUOGQER-INIZCTEOSA-N 272.392 3.708 30 20 CHED CCCC[C@H](C)N(C)c1ncc(C#N)cc1Cl 518208002 KJNJYQDQAJZSSC-JTQLQIEISA-N 251.761 3.622 30 20 CHED CC[C@H]1c2ccsc2CCN1Cc1ccc(C#N)cn1 520483501 SJQPYVSYCKRGHA-HNNXBMFYSA-N 283.400 3.524 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 522653858 XWSWIMVINVARBI-CJNGLKHVSA-N 272.392 3.710 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 527737358 UPBVUVPTQNNPLN-RRFJBIMHSA-N 276.424 3.791 30 20 CHED N#CC1CCN(Cc2ccsc2C(F)(F)F)CC1 529526691 WYZBUSASXZJMQK-UHFFFAOYSA-N 274.311 3.502 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](c1ccco1)N1CCCCC1 531948102 YLWMOVABUHCWDW-YESZJQIVSA-N 290.451 3.997 30 20 CHED C=C(CC)CSCC(=O)Nc1ccc(C)c(C)c1 536882657 YKODYCBXMNLEIQ-UHFFFAOYSA-N 263.406 3.941 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCCCC(C)C 537413828 XZUIBNBUMGDCJT-AWEZNQCLSA-N 269.454 3.745 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)CCOc1ccccc1 539435324 WPNSYPVCRPZMLT-JKSUJKDBSA-N 289.419 3.953 30 20 CHED CN(Cc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc21 541280426 ONOQGCAYWODNDK-LJQANCHMSA-N 276.383 3.872 30 20 CHED Cc1cccc([C@H]2CCN(Cc3ccc(C#N)s3)C2)c1 541554135 ZEGJAJQZRBEZGY-HNNXBMFYSA-N 282.412 3.918 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F 541785141 HGRRBOQBXDHTMF-JTQLQIEISA-N 295.314 3.600 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCC(CC#N)CC1 541914607 CUYYUHLQCKUPSG-GDBMZVCRSA-N 291.439 3.538 30 20 CHED C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 542561615 GDNJMIPSTXQSOD-GFCCVEGCSA-N 298.773 3.745 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](C(C)(C)C)C1 543201891 GXIZERORSWGZLP-KBPBESRZSA-N 266.429 3.809 30 20 CHED C=C(CC)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 543474263 OVJVSSSWQVHLET-CYBMUJFWSA-N 287.382 3.937 30 20 CHED C=C(C)COCCN[C@@H]1CCC[C@H]1Cc1ccccc1 547362905 ZKRCUKWDVJUGTJ-ZWKOTPCHSA-N 273.420 3.580 30 20 CHED N#Cc1cc(N2CCC[C@@H](c3ccccc3)CC2)ccn1 550787283 OPNWXRUPKQECHF-MRXNPFEDSA-N 277.371 3.727 30 20 CHED C[C@H](N=c1[nH]ccc(C#N)c1Cl)[C@@H](C)c1ccccc1 553486141 QJQJUGCWBCEJKK-NEPJUHHUSA-N 285.778 3.633 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cc(C#N)n(C)c1 561983163 SIZIIEFUSFPZAU-UKRRQHHQSA-N 273.424 3.543 30 20 CHED C=CCn1c(-c2cccc(Cl)c2)nnc1N(CC)CC 562028235 XXHQVDIDPKKDTG-UHFFFAOYSA-N 290.798 3.631 30 20 CHED C[C@H]1[C@@H](C)Sc2ccccc2N1Cc1ccc(C#N)cn1 563349235 FOPJIWXFAXCENW-QWHCGFSZSA-N 295.411 3.843 30 20 CHED C=CCOc1cccc(CNC2CC(C(F)(F)F)C2)c1 568689975 ZLFCDALPHOIGRG-UHFFFAOYSA-N 285.309 3.682 30 20 CHED C=C[C@](C)(CC)c1nc([C@H]2CCN(C)c3ccccc32)no1 568694636 OBYWOMHUWXEFKJ-KBXCAEBGSA-N 297.402 3.895 30 20 CHED CC(C)(C#N)CCCCn1cc(-c2ccccn2)ccc1=O 570167298 XHBQBIPLTLRUDU-UHFFFAOYSA-N 295.386 3.630 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc2cc(C)c(C)cc2o1 572361207 XBZQDJMESVPOJJ-CABCVRRESA-N 299.370 3.513 30 20 CHED CCN(c1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H](C)CC1 573210142 CKFKMKCOXFIXJA-CTYIDZIISA-N 270.376 3.737 30 20 CHED Cc1cc(COc2ccccc2-n2ccnc2)ccc1C#N 573909315 ARSFNTODHVQWBO-UHFFFAOYSA-N 289.338 3.631 30 20 CHED C=CCC[C@H](NC[C@@H](CO)c1ccccc1Cl)C1CC1 574144945 WYXHZOHZUCGVJV-YOEHRIQHSA-N 293.838 3.750 30 20 CHED CCC[C@@]1(C)CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 575915533 WLLRZOGLKUBLFO-INIZCTEOSA-N 287.363 3.873 30 20 CHED CCc1nc(C(C)C)ccc1CN[C@H](CC)CC#N 579370005 UVGJLSXHBDFWPM-CQSZACIVSA-N 259.397 3.549 30 20 CHED CCCC(CCC)Sc1ccc(C(=O)OC)nc1C#N 581380335 QIOIQBALVZFBFW-UHFFFAOYSA-N 292.404 3.801 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C23CCC(CC2)C3)cc1 581691488 CCCKHECVWRKQKA-BFHRDPOASA-N 282.387 3.510 30 20 CHED C=Cc1ccc(C(=O)Nc2ccccc2CC#N)cc1 584255826 YQUKDJNWGGMXPI-UHFFFAOYSA-N 262.312 3.648 30 20 CHED N#CCCN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 584287075 SKQRBBADIRFRFI-XYPYZODXSA-N 269.175 3.743 30 20 CHED N#CCCCCCC(=O)N1CCC(C2CCCC2)CC1 588159715 CHXBEVMVILXTES-UHFFFAOYSA-N 276.424 3.889 30 20 CHED N#CCCCCCC(=O)N1CCc2cc(Cl)ccc21 588166775 SQUQOYXNORDSNO-UHFFFAOYSA-N 276.767 3.703 30 20 CHED C[C@H](C/N=C\c1cc(Cl)ccc1O)c1nccs1 588435285 OHGYHOATVGCGOL-VMSYHEBLSA-N 280.780 3.725 30 20 CHED Cc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)s1 588535271 VTPOIWSQMDEZES-FLIBITNWSA-N 256.326 3.585 30 20 CHED CCOc1ccccc1COc1cc(F)cc(C#N)c1 588830067 ZZHKQORTAUTNED-UHFFFAOYSA-N 271.291 3.675 30 20 CHED C[C@H](CNCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 589174710 WYYLLELVDQFRMM-LLVKDONJSA-N 284.325 3.948 30 20 CHED C=CCOCC(=O)N(C)c1ccc(Oc2ccccc2)cc1 591167199 RLUUCLUJAWBDKM-UHFFFAOYSA-N 297.354 3.644 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCCCCC#N 591808507 UNPUNRXETYMKCZ-CQSZACIVSA-N 283.375 3.552 30 20 CHED N#CCCCCNC(=O)N[C@H](C1CCCCC1)C1CCC1 591928444 OVUMCRSPYJNUEQ-MRXNPFEDSA-N 291.439 3.728 30 20 CHED N#CCSCCCSc1nccc2ccccc12 592359720 ZYIJWZRCHXJYBR-UHFFFAOYSA-N 274.414 3.974 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](Cc1ccccc1)c1cccs1 593476689 WTOGRDFLHANCEJ-HUUCEWRRSA-N 298.411 3.698 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(OCCC(C)C)c(F)c1 594422659 UAPJIOCHHJBOIJ-GFCCVEGCSA-N 292.354 3.739 30 20 CHED C[C@H](N[C@H](C#N)c1ccccc1)[C@@H]1OCCc2sccc21 595508430 ACTXBOSKEDDUCH-MJEQTWJJSA-N 298.411 3.605 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@H]2C[C@@H]2C1 596511045 OJWTZXLNKCABRB-GHMZBOCLSA-N 283.762 3.606 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Cc2csc3ccccc23)C1 597912711 GXFRCOMOUGONOD-ZDUSSCGKSA-N 298.411 3.596 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(SC)ccc1Cl 597924617 JDOMKMLDHZILEZ-CYBMUJFWSA-N 282.796 3.940 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 598523041 XFHMVFYWLVBVAO-GFCCVEGCSA-N 290.363 3.559 30 20 CHED C[C@@H](CCC#N)CN1CCC(OCC2CCCCC2)CC1 602456358 XYQIOBMYEHZPSL-INIZCTEOSA-N 292.467 3.988 30 20 CHED CCc1nc2c(s1)[C@@H](N(C)C[C@@H](C)CCC#N)CCC2 602480399 VXFMGLBINDKBHF-JSGCOSHPSA-N 291.464 3.955 30 20 CHED Cc1cc(C(F)(F)F)cc(C)c1NC(=O)NC[C@H](C)C#N 603163767 GPHNCHSGANXVNK-MRVPVSSYSA-N 299.296 3.603 30 20 CHED C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)C[C@@H]2C)c1 607205025 OCSVSFUDRCIBOX-KBPBESRZSA-N 288.391 3.904 30 20 CHED N#CCC[C@@H](C#N)CNc1cccc(Oc2ccncc2)c1 609574697 ZIZRZSPITCYKPG-AWEZNQCLSA-N 292.342 3.729 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N(C)C[C@H](C)C#N)cc1 609987099 AQPXVPPIUVYWMD-CABCVRRESA-N 286.419 3.922 30 20 CHED CC(=O)Nc1ccc(OCc2ccc(C#N)cc2C)c(F)c1 614392323 JQFPCBAHASQRLO-UHFFFAOYSA-N 298.317 3.543 30 20 CHED C=CCN(C(=O)c1cccc(-c2ccoc2)c1)[C@H](C)COC 617581758 YXRUJWLOHBQUDG-CQSZACIVSA-N 299.370 3.610 30 20 CHED C=CCCNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 617615971 DWDHAXHNGBIBTR-LLVKDONJSA-N 285.309 3.576 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](CC)OC2CCCC2)C1 617784571 ULMZJNPNJUVQGL-GOEBONIOSA-N 279.424 3.539 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)oc1C)C1CCCCC1 619551233 LJTKOKBILRVEKL-OAHLLOKOSA-N 274.364 3.548 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1ccc(F)cc1Cl)OCC 622930470 BVMXASGJURFLRH-CQSZACIVSA-N 299.773 3.813 30 20 CHED C=C(C)CCc1noc([C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n1 624606965 AXPRJYMOMVZBHG-CWRNSKLLSA-N 266.344 3.632 30 20 CHED C=C(C)CCNC(=O)N1CC(C)(C)[C@H]1c1ccccc1 653055313 OETMJZRJVSPNBJ-OAHLLOKOSA-N 272.392 3.745 30 20 CHED C=CCCOCC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 654695365 GZOAYUYTEVBDHW-GOSISDBHSA-N 299.414 3.723 30 20 CHED C=CCC1(NC(=O)N[C@H](C)CCc2ccco2)CCCC1 663470687 QERLQHGFSCGRKD-CQSZACIVSA-N 290.407 3.789 30 20 CHED C=CCCCCN[C@@H]1CCc2c(F)cc(F)cc21 681130282 VHZKCWXAWUXKHG-OAHLLOKOSA-N 251.320 3.898 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cc(C)ccn1 683004233 BQXSCMGKANVAIO-UHFFFAOYSA-N 282.387 3.587 30 20 CHED C=CCCCCCN[C@H](Cn1cccn1)c1ccccc1 683784553 IOMMZEUUHDAPOY-GOSISDBHSA-N 283.419 3.960 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCOc1ccc(C)cc1 683788048 FIHCOWHFLWXVSH-INIZCTEOSA-N 287.403 3.721 30 20 CHED C=C[C@H]1CCCCN1C[C@@H]1CCOc2ccccc21 683843614 IJQRYUKGMWXPSB-GJZGRUSLSA-N 257.377 3.593 30 20 CHED CS[C@H]1CCCCN(c2ccc(C#N)cc2C)C1 707277594 CCPWSUGLGUIIBW-AWEZNQCLSA-N 260.406 3.589 30 20 CHED CCC/C(C)=C/C(=O)O[C@H](C)c1cccc(C#N)c1 727635982 QIGFQRPVOXCUGA-CNELAYHGSA-N 257.333 3.909 30 20 CHED C#Cc1cccc(N(CCCOC)Cc2cccs2)c1 728289045 IJINZOSACMZQQU-UHFFFAOYSA-N 285.412 3.773 30 20 CHED Cc1cc(C(=O)/C=C/c2cccnc2Cl)ccc1O 728697783 JHTNADXZEBEDKT-QPJJXVBHSA-N 273.719 3.645 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NCCCCC#N 728958156 UOAMJGLPSFDCHR-HUUCEWRRSA-N 293.455 3.832 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccc(O)c(C)c1 730148151 YDALOPMHFHJOOC-UHFFFAOYSA-N 291.354 3.507 30 20 CHED CC(Cc1ccsc1)=NN=c1cc[nH]c2ccccc12 730148544 XBGMVECXCADIAZ-UHFFFAOYSA-N 281.384 3.749 30 20 CHED Cc1cc(C(=O)OCCCCC#N)cc(C)c1OC(F)F 730857509 PTGBBEKCEFPFRZ-UHFFFAOYSA-N 297.301 3.756 30 20 CHED C=CC1CCN(C(=O)/C=C/Sc2ccccc2)CC1 732003339 WGVMQAJOOKVSJJ-JLHYYAGUSA-N 273.401 3.717 30 20 CHED N#Cc1ccc(OC(=O)C[C@H]2CCc3ccccc3C2)cc1 732532297 ZAMDOLMABNTYEB-HNNXBMFYSA-N 291.350 3.659 30 20 CHED C#CCOc1ccc(CNCCc2ccc(Cl)cc2)cc1 733322790 DIUIYEBVOFZZNK-UHFFFAOYSA-N 299.801 3.684 30 20 CHED C#CCOc1ccccc1CNC(=O)CCC1CCCCC1 734105473 PEYVXMPVKSSYEQ-UHFFFAOYSA-N 299.414 3.675 30 20 CHED C=CC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccncc1 734237593 RDMVRNWXOBBNDV-HNNXBMFYSA-N 286.762 3.782 30 20 CHED C=CC[C@H](NC(=O)c1ccc(C)c(F)c1)c1ccncc1 734237952 XFNGQVDFFNWAMV-INIZCTEOSA-N 284.334 3.576 30 20 CHED C=CC[C@H](NC(=O)CC1=CCCCC1)c1ccncc1 734461265 UOWWHLMZVWTERW-INIZCTEOSA-N 270.376 3.706 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1cccc(C)c1C)C(C)C 734693171 TUWCSEBWHNXCOM-HNNXBMFYSA-N 274.408 3.970 30 20 CHED COc1cccc(/C=N\[C@@H](Cc2ccccc2)C2CC2)c1O 736430864 LBFUDGODDCAJPH-IZQLPPHKSA-N 295.382 3.841 30 20 CHED COc1cccc(F)c1C(C)=NNc1ccc(C)cc1 741811484 ZAAZXAULAOYVDG-UHFFFAOYSA-N 272.323 3.979 30 20 CHED CCC[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1 742430432 QZGJKINXVIYOLA-INIZCTEOSA-N 287.363 3.873 30 20 CHED Cc1ccoc1C=NNc1cccc2cnccc12 743438654 QFKWVWSLFWIDKI-UHFFFAOYSA-N 251.289 3.582 30 20 CHED C#C[C@H](C)OC(=O)c1ccc(COc2ccc(C)cc2C)o1 744180002 DQKQACDOPQDCQG-AWEZNQCLSA-N 298.338 3.654 30 20 CHED C=C(C)CCOC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 744303771 VDSCXTVCLFXVGZ-VXGBXAGGSA-N 266.287 3.578 30 20 CHED c1cncc(CON=C2CC[C@@H]3CCCC[C@@H]3C2)c1 746588828 TZAHVBQQUWCACU-LSDHHAIUSA-N 258.365 3.945 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C#Cc1ccccc1 747354334 AQRLAWRDXGODNO-AWEZNQCLSA-N 297.785 3.911 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cn1)C1CCC1 747626074 RMDPDGOXHCXDMU-UHFFFAOYSA-N 257.259 3.688 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCc1cc(F)cc(F)c1 748583753 FMKGAZQDNAFNFQ-DJKKODMXSA-N 295.716 3.985 30 20 CHED O=C(/C=C/c1coc(-c2ccccc2)n1)c1cncc(F)c1 749892884 BJKDDIHTZBINEH-VOTSOKGWSA-N 294.285 3.772 30 20 CHED CCc1ccc(COC(=O)c2ccc(C#N)s2)cc1 750402529 WRRPURHLXGOOFN-UHFFFAOYSA-N 271.341 3.539 30 20 CHED C#CCCCNC(=O)N[C@H](c1ccccc1C)C(C)(C)C 751098318 BQWFHRVLXWWEIF-MRXNPFEDSA-N 286.419 3.795 30 20 CHED CC(C)CN(CCC#N)Cc1coc(-c2cccs2)n1 755671062 KAOODZFGFXOKQO-UHFFFAOYSA-N 289.404 3.775 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c(F)c1 756261445 QBPQVOUXBRXZMB-XVNBXDOJSA-N 299.276 3.741 30 20 CHED C#CC[C@H](NC(=O)Nc1ccsc1)c1ccccc1 757894939 MGNMGSXLBLWBMJ-AWEZNQCLSA-N 270.357 3.634 30 20 CHED C#CCCOc1ccc(-c2nc3c(F)cccc3[nH]2)cc1 758460607 VSBNHEHBPGHZQW-UHFFFAOYSA-N 280.302 3.771 30 20 CHED CC(C)C(CCc1ccccc1)=NOCC(F)F 758899725 LYNMALWBFGSZKZ-UHFFFAOYSA-N 255.308 3.913 30 20 CHED N#Cc1ccc(F)cc1COC(=O)/C=C/c1cccc(F)c1 759350053 YTKWHEBKJDMMAY-QPJJXVBHSA-N 299.276 3.593 30 20 CHED C#CCCNc1ccccc1N(C)Cc1ccccc1 760293133 YRJREXADXFCDLU-UHFFFAOYSA-N 264.372 3.758 30 20 CHED CCCCCCCCn1cnc(C2CCC2)cc1=O 760328245 DYWDCZDNJSLRLM-UHFFFAOYSA-N 262.397 3.871 30 20 CHED C#CCCCCc1nc(Cc2ccc(OC(C)C)cc2)no1 761675840 ZUUOOQXMZKKYNR-UHFFFAOYSA-N 298.386 3.794 30 20 CHED C#CCCCCc1nc([C@H](C)c2ccccc2C)no1 762338029 ZFFYYRWQRXSBQA-CQSZACIVSA-N 268.360 3.876 30 20 CHED C=CCCCC(=O)OCc1ccc(OCC=C)cc1 763644201 PCIITYQQSCRBLL-UHFFFAOYSA-N 260.333 3.651 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(O)c(C)c1 764431413 COEFVWNVYVXFEF-WAYWQWQTSA-N 274.341 3.667 30 20 CHED Cc1ccc(C=NNCc2cnc3ccccc3c2)c(C)c1 764779928 YPMGEKXILWCGMX-UHFFFAOYSA-N 289.382 3.975 30 20 CHED Cc1ccc(C=NNc2ncc(Cl)cc2Cl)cn1 764896407 NLCBAFIZGUNBFK-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C#Cc1cccc(N(C)C(=O)CO[C@@H]2CCCC[C@H]2CC)c1 766381976 WAHFKRRDHNAOOV-SJLPKXTDSA-N 299.414 3.616 30 20 CHED CCO[C@H]1CCCC1=NNc1cccc(Cl)c1 766431294 PTNBLWYMTUIOTG-ZDUSSCGKSA-N 252.745 3.697 30 20 CHED C=CCCCC(=O)Oc1ccc(C(=O)CC)cc1F 766549856 QJCCNFRKSQJUQB-UHFFFAOYSA-N 264.296 3.680 30 20 CHED CC(C)(C)c1ccc(C#N)c(Nc2cnn(C(C)(C)C)c2)n1 767183091 QUSILVYAWOLIHR-UHFFFAOYSA-N 297.406 3.946 30 20 CHED Cc1cc(C=NNc2ccc(Cl)c(C(=O)O)c2)c(C)o1 767893609 QEVBWCHGOHUYBX-UHFFFAOYSA-N 292.722 3.694 30 20 CHED C#CCSc1nnc(-c2ccco2)n1-c1ccc(C)cc1 768412006 QDCNLSMKVHAHJX-UHFFFAOYSA-N 295.367 3.561 30 20 CHED C#CCCN(Cc1cccc2cc[nH]c12)CC(F)(F)F 768531328 BIWHQKXFMFGOCR-UHFFFAOYSA-N 280.293 3.556 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(OC(F)(F)F)c1 769999743 BRIUSKCMOHFDRX-GVXVVHGQSA-N 298.308 3.928 30 20 CHED CCCCCC/C(C=NOCC(N)=O)=C/c1ccccc1 771576254 VINGBPRFNYHKAM-MJEZEYFLSA-N 288.391 3.528 30 20 CHED CON=C(C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C 772841056 NGGLHPVSETVRSZ-CYBMUJFWSA-N 284.400 3.579 30 20 CHED CC(CC1CCOCC1)=NN[C@@H]1CCCCC1(C)C 773122658 CFPKCDQPIRHFGT-OAHLLOKOSA-N 266.429 3.737 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(C)c(OC)c1 773143161 NTHXQPWYRLJDDK-FPLPWBNLSA-N 281.355 3.857 30 20 CHED Cc1nc(C(=O)O[C@H](C)c2cccc(C#N)c2)sc1C 774074808 CARDJYQCZOJTRY-SNVBAGLBSA-N 286.356 3.550 30 20 CHED O=C(O)c1cccc(/C=C2\CCc3sccc3C2=O)c1 774138667 LROBWABLLPMSTR-DHZHZOJOSA-N 284.336 3.659 30 20 CHED C#CCCCCC(=O)Nc1cc(C)nn1[C@@H]1C[C@H]2CC[C@H]1C2 775573854 SBFMXWWZPIMEGI-HRCADAONSA-N 299.418 3.685 30 20 CHED N#C[C@@H](OC(=O)CC1=CCCCC1)C1CCCCC1 776385421 DULAWOCQRGVPNW-OAHLLOKOSA-N 261.365 3.893 30 20 CHED N#CCc1ccccc1Cc1nc(-c2cccc(F)c2)no1 776802038 AXJQOOWVTLNRLE-UHFFFAOYSA-N 293.301 3.533 30 20 CHED C(=NOC1CCCCC1)c1cnc([C@@H]2CCCO2)s1 777457141 MEDZBHPJYHGGOA-ZDUSSCGKSA-N 280.393 3.678 30 20 CHED N#Cc1cc(NCc2ccc(CF)cc2)ccc1F 777540265 IQRYSCDEXQUEMC-UHFFFAOYSA-N 258.271 3.779 30 20 CHED Cc1ccc(OCc2cc(F)ccc2C#N)c(Cl)n1 777547742 GHRJGPCNARBZQF-UHFFFAOYSA-N 276.698 3.633 30 20 CHED N#CCOc1cc(F)ccc1NC[C@H]1CCc2ccccc21 779739606 AVFZSMSVUMSCEJ-CQSZACIVSA-N 296.345 3.870 30 20 CHED C#CCCCCCC(=O)Nc1ccccc1N1CCCC1 779744071 ROTSWRVAEYUHMU-UHFFFAOYSA-N 284.403 3.809 30 20 CHED CSc1ccc(C=NNc2ccc3[nH]ncc3c2)cc1 779816617 MGERWVBKBNHYMU-UHFFFAOYSA-N 282.372 3.731 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)[C@H]1CCOc2ccccc21 779817345 PTLWYYOSBQDTQZ-GFCCVEGCSA-N 292.342 3.527 30 20 CHED C#CCCCCCC(=O)NCC1(c2cccc(F)c2)CC1 779918083 QUESWNRRKKYRPF-UHFFFAOYSA-N 287.378 3.557 30 20 CHED N#CC1(COC(=O)/C=C\c2cccc(F)c2)CCCCC1 780483985 RMQRDWBKRYEADT-FPLPWBNLSA-N 287.334 3.856 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(Cl)c(C)c1 781172333 GVIFRYDYVFDPDB-GFCCVEGCSA-N 282.767 3.673 30 20 CHED CC(=NNc1nc2ccccc2cc1C)[C@@H]1CCCO1 783858838 GOZCCIYINJXCSC-HNNXBMFYSA-N 269.348 3.510 30 20 CHED Cc1cc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)cc2cccnc12 783862895 HDUQSXZVJOXCEN-JLJPHGGASA-N 279.387 3.655 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(C)o1 783881137 RJFKIPIZYYRJAQ-UHFFFAOYSA-N 273.723 3.949 30 20 CHED C=C[C@](C)(CC)C(=O)OCC(=O)c1ccc(C)cc1C 785752628 DAPUDJCBZYMQCB-QGZVFWFLSA-N 274.360 3.632 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1F)c1cncs1 787173174 XXFPRKKYJDGGCS-RQOWECAXSA-N 267.712 3.832 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C=C1CCCCC1 787944075 DSJOHWMQCDVWGR-UHFFFAOYSA-N 262.397 3.808 30 20 CHED CCCC(=NOC[C@H]1CCOC1)c1ccc(Cl)cc1 788034721 UQQNDOIHWPLVMR-LBPRGKRZSA-N 281.783 3.897 30 20 CHED C#CCC1(C(=O)Oc2ccc3cncnc3c2)CCCCC1 788462321 PBHJQDBGKDJGPS-UHFFFAOYSA-N 294.354 3.509 30 20 CHED Cc1cc2n[nH]cc2cc1N=Cc1cc(Cl)ccc1O 790100557 WWXAFGKQXBQJLH-UHFFFAOYSA-N 285.734 3.981 30 20 CHED CC(C)(C)c1cnc(/C=C2/Cc3c(O)cccc3C2=O)s1 790603985 QGNGDZVPQDURJC-NTMALXAHSA-N 299.395 3.969 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccc(C)s2)CCC1 791559782 AIQJJRZAOFHDPM-UHFFFAOYSA-N 278.373 3.529 30 20 CHED C#C[C@H](CCC)NC(=O)C1(c2ccccc2F)CCCC1 791746752 TVTYWAGPCJCIKI-CQSZACIVSA-N 287.378 3.556 30 20 CHED C=CC[C@H](NC(=O)N(CC)CC1CCC1)c1ccncc1 793030415 UZAXLAHQQPNCDS-INIZCTEOSA-N 287.407 3.530 30 20 CHED C[C@H](NN=Cc1c(F)cccc1Cl)C(C)(C)C 793117762 YCJPXDMIMRJRFB-VIFPVBQESA-N 256.752 3.837 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H](O)c1ccccc1F 793520244 FDRGGWLFASHTTQ-WMLDXEAASA-N 279.399 3.974 30 20 CHED CC(C)[C@H]1CCCC(=NNc2cncc(Cl)n2)C1 794492386 PDSUKDKEEYZLKY-JTQLQIEISA-N 266.776 3.744 30 20 CHED CC(C)n1nccc1C=NNc1cccc2c1CCCC2 794496500 KDBAXTKTIZLKCT-UHFFFAOYSA-N 282.391 3.789 30 20 CHED CCC(=NOCCSC)c1ccc(Cl)s1 794574772 OYJUAUBAQKBMMN-UHFFFAOYSA-N 263.815 3.895 30 20 CHED O=C(/C=C\c1c(F)ccc(O)c1F)c1cccs1 794927536 SPVFZGMOISZZDK-HYXAFXHYSA-N 266.268 3.628 30 20 CHED C#Cc1cccc(NC(=S)N2CCC3(CCC3)CC2)c1 795139083 PGUXKSIPKUUISV-UHFFFAOYSA-N 284.428 3.631 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)[C@H]1CCC(F)(F)C1 796371459 AHDPUTBBDGGRNJ-VIFPVBQESA-N 299.704 3.690 30 20 CHED C#C[C@H](Cc1ccccc1)OC(=O)c1nc(C(C)C)oc1C 797171978 LFDJEPWWOMXWNS-OAHLLOKOSA-N 297.354 3.508 30 20 CHED CCc1nnc(SC/C(C)=C/Cl)c(C#N)c1CC 797830689 YEALRAWJOJTOMO-RMKNXTFCSA-N 281.812 3.708 30 20 CHED C#Cc1cncc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)c1 798245470 YIGJRDDGTZSUHX-QGZVFWFLSA-N 292.382 3.580 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(F)c(C(=O)CC)c1 798550862 GRGOFAOXBVHAMQ-LBPRGKRZSA-N 277.339 3.503 30 20 CHED CCCC[C@H](C)C(=O)OCC#Cc1ccc(F)cc1 800277452 TUBFUPIGDGZBKA-ZDUSSCGKSA-N 262.324 3.547 30 20 CHED C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccsc1 800790077 BEKDMYGOKVTGQO-VUPJLDGMSA-N 276.317 3.542 30 20 CHED CSC1(C=NNc2ccc(C(F)(F)F)cc2)CC1 800814127 ITSPKNGFJVKESD-UHFFFAOYSA-N 274.311 3.999 30 20 CHED CC#CC(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 801161054 YZJGFOWSTWXCGE-CQSZACIVSA-N 293.366 3.563 30 20 CHED Cc1cccc(CN(CCO[C@@H](C)C#N)Cc2ccco2)c1 801930030 CEOIHQBMMSROGO-INIZCTEOSA-N 298.386 3.519 30 20 CHED Cc1cc(C#N)cc(NCc2ccc(OCC(C)C)cc2)n1 804363034 CEKMKRRXXBNTBS-UHFFFAOYSA-N 295.386 3.909 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C\CCC 804559441 YRGRTSFPMFERAF-HJWRWDBZSA-N 289.423 3.725 30 20 CHED C=CCCCCCCNC(=O)c1ccnc(C2CC2)c1 805220975 IKARXDIQKHZTRR-UHFFFAOYSA-N 272.392 3.825 30 20 CHED C[C@@H](OC(=O)c1cnccc1C#N)c1ccccc1Cl 805716520 TXRUFLFHEJOJSF-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C#CCOc1cccc(-c2noc(-c3ccoc3CC)n2)c1 809342024 JFWLHZYGMRJVKA-UHFFFAOYSA-N 294.310 3.571 30 20 CHED C=CCCCCOC(=O)Cc1ccc(OC(F)F)cc1 811012599 QHRFJLICVMFMNV-UHFFFAOYSA-N 284.302 3.730 30 20 CHED Fc1cccc(NN=Cc2ncc(-c3ccccc3)s2)n1 811649876 AIUFZHROZJCBHC-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cc(F)ccc1Cl 811892830 YTZPGKYWIPEHQY-UHFFFAOYSA-N 287.721 3.642 30 20 CHED C#C[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccc(Cl)cc1 811947997 VDHPPQGQEWJJBZ-CZUORRHYSA-N 287.790 3.877 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 812110363 QQJQRASCTHYMQL-GOEBONIOSA-N 286.419 3.745 30 20 CHED CC1(C)C(=NOC2CCC2)C[C@H]1Oc1ccccc1 812236866 XQMZFYOBDZWTDU-OAHLLOKOSA-N 259.349 3.789 30 20 CHED CC(C)c1ccc(C=NNc2ccccc2C(=O)O)cc1 812442020 MQTFZNYUBPURJF-UHFFFAOYSA-N 282.343 3.954 30 20 CHED Fc1ccccc1NN=C1CCc2ccccc2C1 812460002 KDXUHFRFMXIJDE-UHFFFAOYSA-N 254.308 3.783 30 20 CHED CSC(C)(C)CC=NNc1nc2ccccc2n1C 814807274 NVTBAJGJNVIVLG-UHFFFAOYSA-N 276.409 3.503 30 20 CHED N#C[C@H]1CCCC(=NNc2c(F)cccc2Cl)C1 814905536 YFAQBPJXEBBGTE-VIFPVBQESA-N 265.719 3.961 30 20 CHED CC(C)c1nccnc1NN=CCC1CCCCC1 814916250 DPKKBINWOUZJND-UHFFFAOYSA-N 260.385 3.968 30 20 CHED Cc1ccc(C=NNc2ccc(F)c(F)c2F)s1 814945101 LBGZSSBKCWKCKH-UHFFFAOYSA-N 270.279 3.920 30 20 CHED CCOc1ccc(NN=C(C)c2cncc(C)c2)cc1 814985168 VKIFMJHAPRQVRP-UHFFFAOYSA-N 269.348 3.625 30 20 CHED C=CCC(F)(F)C(=O)N(CC(C)C)c1cccc(OC)c1 815146385 GNUDCRCLMQOFQJ-UHFFFAOYSA-N 297.345 3.896 30 20 CHED C=C[C@](C)(CC)C(=O)OCC[C@@H]1CC1(Cl)Cl 820539206 NFNIZEQOEKYIDL-MWLCHTKSSA-N 265.180 3.716 30 20 CHED CC(C)C#CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 822290546 JNKKDEJASKVGLH-GOSISDBHSA-N 287.378 3.833 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccnc(Cl)c2C)C1 823454937 PDTUHKWMZGSCSP-GFCCVEGCSA-N 293.798 3.863 30 20 CHED C#CC1CCN(C(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 825917567 XKUBXRQRBNMKHI-SFHVURJKSA-N 296.414 3.583 30 20 CHED CCC(CC)(CNC(=O)CC1(C#N)CCCCC1)SC 829112610 RTYFCSBBTBFWOG-UHFFFAOYSA-N 296.480 3.889 30 20 CHED CCc1cc(N[C@H](C(=O)O)c2cccc(C#N)c2)ccc1C 833671538 KNZWQHGWHGLLEC-KRWDZBQOSA-N 294.354 3.667 30 20 CHED Nc1nc(Cl)cc(NN=C2CCCC23CCCCC3)n1 834970099 KXVHMYHPPHORPB-UHFFFAOYSA-N 293.802 3.615 30 20 CHED Cc1ccn2ncc(C(=O)OCCCCC(C)(C)C#N)c2c1 837820376 OXBRLTJZLHHGDR-UHFFFAOYSA-N 299.374 3.520 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2nnc(CC)o2)CCCCC1 838151751 SYDUGHAYAABSIT-GFCCVEGCSA-N 292.379 3.763 30 20 CHED C=CCC1(C(=O)OCc2cnc(Cl)cn2)CCCCC1 838153718 KUXUCJAPLQQAJS-UHFFFAOYSA-N 294.782 3.700 30 20 CHED C[C@H](CC(=O)O[C@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 839053490 SSJXCDFCWRIHHF-WWGRRREGSA-N 289.350 3.945 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2cccc(C#N)n2)cc1 841618031 CXLNNPXGNKMQMC-AWEZNQCLSA-N 292.386 3.761 30 20 CHED CSCCON=C(C)[C@@H]1C[C@H]1c1cccs1 841635670 GDICCHVAIUIIAF-WDEREUQCSA-N 255.408 3.607 30 20 CHED N#CC1(CCSC[C@H]2CC3(CC3)C(=O)O2)CCCCC1 842179961 KUHLIKQYMDZHPN-CYBMUJFWSA-N 293.432 3.679 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C/c1cc(C)n(C)n1)CC2 843272744 MYOWAAPLJPXPJO-UKTHLTGXSA-N 298.411 3.663 30 20 CHED C=C(C)CONC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 846538403 WHDRMDFSHHIDGZ-VIFPVBQESA-N 288.174 3.721 30 20 CHED CC/C(=C\C(=O)N(C)[C@H](C#N)CC)c1ccc(C)cc1 847168017 KVQHKTRVXWQHPR-UKYUDJEDSA-N 270.376 3.549 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)Cc1c(F)cccc1Cl 851213737 JONGPZAJOVMZME-JTQLQIEISA-N 297.757 3.893 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2cn(C(C)C)nn2)CCCC1 851231873 HCHMLPDGQIHLRC-CYBMUJFWSA-N 291.395 3.600 30 20 CHED FC(F)(F)[C@@H]1CCC[C@H](C=NOC2CCOCC2)C1 853334837 SCGKGCRXHODLBC-WDEREUQCSA-N 279.302 3.537 30 20 CHED C#CC1CCC(=NNc2ccc(Cl)c(OC)c2)CC1 853340384 WKIFQQRCPHZSJU-UHFFFAOYSA-N 276.767 3.940 30 20 CHED C(=NOCC1CCC1)c1ccccc1OCc1ccncc1 853440217 YFYMXYQQUNVYFL-UHFFFAOYSA-N 296.370 3.811 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccnc2Cl)C1 853827159 MUJVYUYCIDEBCM-NSHDSACASA-N 279.771 3.555 30 20 CHED C#CCCc1noc([C@@H]2CCC[C@H]2Cc2ccccc2)n1 854030266 RRXQNPVWESXZJL-JKSUJKDBSA-N 280.371 3.762 30 20 CHED C=CCCONC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 856030635 KRWMSCRDDFBZMW-CQSZACIVSA-N 291.391 3.510 30 20 CHED C=CCCONC(=O)CSc1ccc(C(C)C)cc1 856030916 WVWZBSNNLKDISN-UHFFFAOYSA-N 279.405 3.526 30 20 CHED CCCCCCCC(=O)Nc1nc(C)cc(C)c1C#N 857639701 UTEMUNPHXNWSLC-UHFFFAOYSA-N 273.380 3.869 30 20 CHED C[C@H](CC(=O)OCc1ccc(F)c(C#N)c1)c1ccco1 859813269 JCTCNLOABILSEM-LLVKDONJSA-N 287.290 3.527 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(C)c(C)c1 860197765 HMZZWBGOKPQAST-UHFFFAOYSA-N 259.349 3.677 30 20 CHED CCCCCCCNC(=O)CCC(=O)c1cccs1 862360939 GYNVONSWUSZWOX-UHFFFAOYSA-N 281.421 3.798 30 20 CHED C=CCCCC(=O)Nc1n[nH]c(C)c1-c1cccc(OC)c1 863677218 IQCWPXRPYMYXED-UHFFFAOYSA-N 299.374 3.689 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2cc([N+](=O)[O-])ccc21 864000303 PJIKVSNJMXMYMN-LBPRGKRZSA-N 293.326 3.590 30 20 CHED CC(C)(C#N)COC(=O)CCc1ccccc1C(F)(F)F 870277175 WEWVICJAZNJSBS-UHFFFAOYSA-N 299.292 3.731 30 20 CHED C=CCc1ccc(OC(=O)[C@H](C)CCC)c(OC)c1 875122697 CSGNXMKNYHVLLF-GFCCVEGCSA-N 262.349 3.765 30 20 CHED C[C@H](CCC#N)CNc1ccc2c(c1)OC(C)(C)O2 877160340 IREYRIVFTADVIR-LLVKDONJSA-N 260.337 3.546 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2ccccc2[C@@H]1C 879084892 XNOXBYKTQBZTTR-ZDUSSCGKSA-N 257.377 3.735 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(N3CCCCC3)c(F)c2)C1 883372009 IHIQALCVVYXDKJ-KGLIPLIRSA-N 287.382 3.920 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](c3ccccc3F)C2)CC1 888848382 DBPLEXLYDPGAMY-OAHLLOKOSA-N 287.378 3.888 30 20 CHED CC(C)[C@H](C)N(C(=O)c1cccc(C#N)n1)c1ccccc1 894225395 JVZWMZPBLVUMFB-AWEZNQCLSA-N 293.370 3.645 30 20 CHED N#Cc1cnc(N[C@@H](c2ccncc2)C2CC2)c(Cl)c1 897422282 GSAJNLYWKYGORJ-CQSZACIVSA-N 284.750 3.565 30 20 CHED Cn1ccc(C(=O)/C=C/c2cccc(OC3CCCC3)c2)n1 901543498 OGKPGOGTTLMXRW-MDZDMXLPSA-N 296.370 3.638 30 20 CHED CC[C@@H](NC1CCN(C(C)(C)C)CC1)c1cccc(C#N)c1 902852829 DBPZRLCIBXHFLO-GOSISDBHSA-N 299.462 3.862 30 20 CHED C=CCC1(c2nc(CCCCSC)no2)CCC1 903785224 IKUTUCROTUOROB-UHFFFAOYSA-N 266.410 3.753 30 20 CHED N#Cc1cc(N2CCCC[C@@H]2c2ccccc2)ccn1 912051457 IRULCKWROMFYMX-QGZVFWFLSA-N 263.344 3.685 30 20 CHED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 915352289 JKXJXPDAUBULKQ-QGZVFWFLSA-N 291.354 3.626 30 20 CHED CN(C)c1ccc(C=NNc2ccc(Cl)cc2)cc1 916246988 SHDKHIBCWANLEN-UHFFFAOYSA-N 273.767 3.852 30 20 CHED COc1cccc([C@@H](C)/N=C\c2cc(OC)ccc2O)c1 917558350 MKZMZDDHAZFXDZ-OTWJJXBCSA-N 285.343 3.590 30 20 CHED C=CCc1cc(OCC)cc(CN(C)[C@H](C)C(C)C)c1O 919940418 GDRDZMONYHIJLC-CQSZACIVSA-N 291.435 3.996 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@H](C)Oc1cccc(F)c1 925156836 QSKLIWZUGOGYJX-STQMWFEESA-N 278.371 3.511 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc2ccccc2[nH]1 926532654 UVWYTMSBOBRGHV-VMGRFDJRSA-N 270.376 3.552 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCc2cc(F)ccc2[C@@H]1C 933268941 CIBVOZJBAIXJLF-STQMWFEESA-N 275.367 3.874 30 20 CHED CCC[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2C)C1 934558619 QAUBDLYLSCVNOI-CQSZACIVSA-N 270.376 3.519 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C)c2cccnc12 935699824 ZCUWNKCMPZBCFW-CQSZACIVSA-N 280.371 3.724 30 20 CHED CC(C)c1occc1C(=O)Nc1ccc(OCC#N)cc1 1116899047 BLOPKKOMJODZJL-UHFFFAOYSA-N 284.315 3.558 30 20 CHED CCOc1ccccc1-c1nnc(-c2cccc(C#N)c2)o1 1117232083 VGZHKPGCHVGUSZ-UHFFFAOYSA-N 291.310 3.674 30 20 CHED C=C(C)CCC(=O)N(Cc1cnn(C)c1)c1ccc(C)cc1 1120772402 KOZDCKOTOTYTHR-UHFFFAOYSA-N 297.402 3.618 30 20 CHED CC[C@H](CC1CCCC1)C(=O)[C@@H](C#N)c1nccn1CC 1123237253 ZNSYFBBCXGXGAF-HUUCEWRRSA-N 287.407 3.686 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1ccc(O)cc1 1123760869 NESWIUZWWCWAIY-MRXNPFEDSA-N 273.376 3.658 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2cc3ccncc3s2)c1 1129602588 GWJZNEBDVMBOAN-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Cc1nc(N2CCC(CCC(C)C)CC2)ccc1C#N 1162769084 FNHQRSXETANABT-UHFFFAOYSA-N 271.408 3.914 30 20 CHED CC[C@H](CN(CC)c1ccnc(C#N)c1)c1ccccc1 1163106231 JTNYLWXEGKINIB-OAHLLOKOSA-N 279.387 3.973 30 20 CHED C[C@H]1CN(CC2(CC#N)CC2)CCc2ccc(Cl)cc21 1171718714 JWBYGQICFHMGLA-ZDUSSCGKSA-N 288.822 3.995 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(F)c(C#N)c1)CC2 1171815490 NZTKXSSWSAFCDZ-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C[C@@H]1CCC[C@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1185306203 PYYVSGPIKRIGAW-IUODEOHRSA-N 294.358 3.741 30 20 CHED Cc1cccc(CN(Cc2cc(C#N)ccn2)CC(C)C)c1 1190561036 PVMMUGRRMMHAJM-UHFFFAOYSA-N 293.414 3.920 30 20 CHED COc1cc(C#N)ccc1CN(C)Cc1ccc(C)c(C)c1 1231620775 MWFZTTDSKAMJOB-UHFFFAOYSA-N 294.398 3.816 30 20 CHED C#CCCOC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1261362912 OXHIXGRVWHQSID-UHFFFAOYSA-N 270.372 3.798 30 20 CHED N#CCc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 1272973126 LYWLBBFKLPWZOM-IAGOWNOFSA-N 294.329 3.634 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2NC2CCC2)cc1 1300259567 ROYBARGDVNCJRC-UHFFFAOYSA-N 291.354 3.775 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H](CCC)CCCC 1312241297 KBDRMJFCBNWQQQ-LBPRGKRZSA-N 260.809 3.645 30 20 CHED CCc1cccc(NC(=O)CON=Cc2ccc(C)cc2)c1 1317696784 NOOOTMQEKWNMSQ-UHFFFAOYSA-N 296.370 3.547 30 20 CHED C#CCOc1cccc(Oc2nc(C(C)(C)C)ns2)c1 1320456961 OKMKYZOGPUIFSO-UHFFFAOYSA-N 288.372 3.640 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1320604458 YRYCWALPBPTQBO-YOEHRIQHSA-N 289.423 3.560 30 20 CHED COc1cc(C#N)ccc1OC(=O)C1C[C@H]2CCC[C@H](C1)C2 1320791172 WZTIWFOPIXROJZ-STQMWFEESA-N 299.370 3.689 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CC(C1CC1)C1CC1 1320964408 UBTVJBLNXSEFJI-UHFFFAOYSA-N 276.424 3.744 30 20 CHED CC(C)c1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C#N 1324282359 MQPZLGNNADWHRC-LLVKDONJSA-N 284.315 3.534 30 20 CHED N#Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)cs1 1324351170 BMTVQULXICBDKV-HNNXBMFYSA-N 282.368 3.501 30 20 CHED CCCC[C@@H]1CCC[C@H]1Nc1cccc(CC#N)n1 1325709984 KNSQZEYVUMPOEA-UKRRQHHQSA-N 257.381 3.918 30 20 CHED CC[C@](C)(C#N)c1nnc(-c2ccc(Cl)cc2)o1 1326989965 HNFBHWCRNSFPQF-CYBMUJFWSA-N 261.712 3.581 30 20 CHED CC#CCCCc1nnc(-c2ccc(CC)cc2)o1 1327332535 UFQMEQNBSZTPDV-UHFFFAOYSA-N 254.333 3.645 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](c2c(F)cccc2F)C1 1336047320 ZRTQTNVIBNLWGI-LBPRGKRZSA-N 279.330 3.637 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc[nH]c1C(C)C 1336757926 BSRKKBQDEKVPRJ-CYBMUJFWSA-N 260.381 3.709 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](CC)CC(F)(F)F 1337550632 KUCIOSFHBOOVCN-NWDGAFQWSA-N 277.330 3.922 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc1 1339102248 JSECKWBOAJFWIS-ARFHVFGLSA-N 298.386 3.603 30 20 CHED C=C(CC(C)C)C(=O)N1CC(C)(C)[C@@H]1c1ccco1 1347143305 OVNXSXQERAGXME-AWEZNQCLSA-N 261.365 3.791 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1cccc(OC)c1 1354419962 XJRVCPGYVDSWED-PBHICJAKSA-N 287.403 3.961 30 20 CHED N#Cc1ccc2c(c1)N(CCCC1CCCC1)CC2 1459888281 HTHWYZGDKCSCJZ-UHFFFAOYSA-N 254.377 3.891 30 20 CHED CSC(C)(C)CCN(CCC#N)CCC(C)C 1474339513 LDBJMPOYBKHPAQ-UHFFFAOYSA-N 256.459 3.780 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc2c1CCCC2 1540015990 KWQLRMPCOPNEAL-UHFFFAOYSA-N 290.366 3.998 30 20 CHED Cc1cccc(C)c1CN(CC(C)C)c1cncc(C#N)n1 1559219841 DHQLUXPUIWIKNC-UHFFFAOYSA-N 294.402 3.628 30 20 CHED N#Cc1c(F)cccc1SCC(=O)c1ccsc1 1559419135 URBYBGQVHHDIFV-UHFFFAOYSA-N 277.345 3.734 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1cc2cnccc2o1 1560898077 YKZYEPSZVJFODV-CYBMUJFWSA-N 291.354 3.892 30 20 CHED C[C@H]1CN(C(=O)[C@H](CC#N)c2ccccc2)c2ccccc21 1584292345 XNULLNYFMREXPK-WMLDXEAASA-N 290.366 3.834 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2cc(Cl)cs2)cc1 1610819531 IRRWOKQHQWBBGJ-WAYWQWQTSA-N 292.743 3.996 30 20 CHED N#Cc1cccc(CSCc2ccncc2)c1F 1615016901 FEEZXVIKSOUGKN-UHFFFAOYSA-N 258.321 3.526 30 20 CHED Cc1ccc(NC(=O)c2ccccc2CC#N)c(Cl)c1 1624200388 ROOGHXABJHFWHE-UHFFFAOYSA-N 284.746 3.967 30 20 CHED Cc1ccc(CCNc2nc(C#N)c(Cl)s2)cc1 1639477660 DYKHMNQCBCQBPA-UHFFFAOYSA-N 277.780 3.631 30 20 CHED CC[C@@H](C)[C@H](Sc1ccc(C#N)c(C)c1)C(=O)OC 1644029733 VIJRTXDAHPAEJY-YGRLFVJLSA-N 277.389 3.547 30 20 CHED N#Cc1ccc(F)c(CNCc2cccc3ccoc23)c1 1656974134 JWCXGKDFDSYIIF-UHFFFAOYSA-N 280.302 3.733 30 20 CHED C=C(CNCc1ccc(SC)o1)c1ccccc1 1661311170 UYLSAWBASRISNO-UHFFFAOYSA-N 259.374 3.805 30 20 CHED C=C(Cl)CNCc1cccc(OC(C)(C)C)c1 1661540593 XZJLDNVPKFSPEW-UHFFFAOYSA-N 253.773 3.706 30 20 CHED Cc1cccc2[nH]c(CNc3cccc(OCC#N)c3)cc12 1664234446 QTQQDHLHRVSJBJ-UHFFFAOYSA-N 291.354 3.991 30 20 CHED CC[C@H](C=NNc1ccc(CC(=O)O)cc1)c1ccccc1 1776084995 CUXWYFLSXKPZBN-OAHLLOKOSA-N 296.370 3.905 30 20 CHED C=C(C)CN(CC)[C@@H](C(=O)O)c1cccc2ccccc12 1776140182 WUSCRRKYJRUYER-QGZVFWFLSA-N 283.371 3.864 30 20 CHED C=CCC[C@@H](C)N1CC[C@@H](c2ccccc2C(=O)O)C1 1776165873 JBTHZCXGDWHAPU-ZIAGYGMSSA-N 273.376 3.529 30 20 CHED C=CCCC[C@H](NCc1ccc(C2CC2)c(C)c1)C(=O)O 1776171062 CXVLCIHVSMDHDC-KRWDZBQOSA-N 287.403 3.772 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)C2CCCCC2)cc1 7905576 JRASNDCEHPOQPH-FMIVXFBMSA-N 271.360 3.808 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2c2cccs2)c1 16340788 LCIUGPCPFIQBPB-HNNXBMFYSA-N 268.385 3.957 30 20 CHED N#Cc1ccc(CNc2cccc3ncccc23)cc1 19906853 VVGVZYKJHMCVDY-UHFFFAOYSA-N 259.312 3.719 30 20 CHED Cc1cccc(OCCCOc2cccc(C#N)c2)c1 34652302 QVNBYVONNYXDEN-UHFFFAOYSA-N 267.328 3.715 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(OCC#N)c2)o1 37069543 DGQWZIUGRQFOQD-WBMJQRKESA-N 282.343 3.917 30 20 CHED N#Cc1ccccc1OCCSCc1ccccc1 37139279 PEMJPZWZVWZMQV-UHFFFAOYSA-N 269.369 3.870 30 20 CHED Cc1sc(NC(=O)c2cc(Cl)ccn2)c(C#N)c1C 37976605 HGYXZTWTCFKOEL-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CCCCc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 41492692 RYAOEMBABOJTGY-MRXNPFEDSA-N 278.355 3.914 30 20 CHED N#CCCSc1nnc(-c2ccc3ccccc3c2)o1 42180846 HABRYPSUVOQYQJ-UHFFFAOYSA-N 281.340 3.896 30 20 CHED N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 42678095 VLVGYMYAXSYVNY-UHFFFAOYSA-N 294.329 3.758 30 20 CHED C=CCSCC(=O)Nc1cccc(Cl)c1C 44260594 HZCIHLYHHYFFEL-UHFFFAOYSA-N 255.770 3.506 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H](C)c1cc2ccccc2o1 44384796 URYBMLDNIQXHBH-LBPRGKRZSA-N 288.416 3.876 30 20 CHED N#CCN(C(=O)CC1CCCCC1)c1ccccc1 72680073 LJCVDHZGQNQMRX-UHFFFAOYSA-N 256.349 3.514 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2cccc(C)c2)c1 73012408 PEUYEFOXYBVLMI-SFHVURJKSA-N 294.398 3.966 30 20 CHED Cc1ccc(C[C@@H](C)NCc2ccc(C#N)cc2F)s1 80244672 RWBPDDVKAZYSPJ-LLVKDONJSA-N 288.391 3.788 30 20 CHED N#C[C@@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 80394993 KTQYOKALZOZHOX-QGZVFWFLSA-N 293.322 3.938 30 20 CHED COc1ccccc1[C@H](C)[S@@](=O)Cc1ccc(C#N)cc1 83080333 MMUFJUDTNLWDMI-YEJXKQKISA-N 299.395 3.577 30 20 CHED CC[C@@H]1CCC[C@H](NCc2cc(C#N)ccc2F)C1 85065286 JNTHLLBEGTXBJQ-DOMZBBRYSA-N 260.356 3.756 30 20 CHED Clc1cccc(C#CCN(Cc2ccncc2)C2CC2)c1 93222111 SKUFSOIEXFKPML-UHFFFAOYSA-N 296.801 3.751 30 20 CHED C=CCCC(=O)NCC(C)(C)c1ccc(Cl)cc1 102236953 JUWSRDQWDRLMNJ-UHFFFAOYSA-N 265.784 3.700 30 20 CHED CC(C)CCN(CCC#N)C(=O)Cc1cccc(Cl)c1 103439985 CCQINNPIXZZQNI-UHFFFAOYSA-N 292.810 3.671 30 20 CHED CC(C)=CC(=O)Nc1ccccc1SC[C@H](C)C#N 108240878 KHQDKCAKKMUNGO-GFCCVEGCSA-N 274.389 3.843 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)OCc2cccc(C#N)c2)C1(C)C 111476419 NGTRBEQCNBMLRY-JKSUJKDBSA-N 283.371 3.840 30 20 CHED CCC[C@@H](C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 113175599 RMCNIHFDHCZSTR-RISCZKNCSA-N 278.783 3.847 30 20 CHED Cc1ccc(-c2ccc(/C=C/C(=O)c3cnccn3)o2)cc1 115962179 MDKRJIDSQKATKH-SOFGYWHQSA-N 290.322 3.941 30 20 CHED CCSc1ccccc1OC(=O)c1ccc(C#N)cc1 116110919 WRLJLVHPHDGKGS-UHFFFAOYSA-N 283.352 3.889 30 20 CHED COc1cc(C(=O)/C=C/c2cc(C)ccc2F)ccc1O 116609090 NXKUPQGQYFDZGE-QPJJXVBHSA-N 286.302 3.744 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(C)ccc1OC(F)F 119322819 BGPULHUDDREFHY-GHMZBOCLSA-N 255.308 3.822 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C(C)C)oc2c(C)cccc12 121621633 HKEDLDSVWLRLSH-ZDUSSCGKSA-N 271.316 3.755 30 20 CHED C=CCC(CC=C)C(=O)NCC1(c2ccccc2)CC1 121684691 UXSQQWQGYGNWOQ-UHFFFAOYSA-N 269.388 3.603 30 20 CHED C=CCC[C@@H](NC(=O)CCc1ccncc1)c1ccccc1 123089654 HASPZQXMDCSJMI-GOSISDBHSA-N 294.398 3.838 30 20 CHED CCCCCCCn1cnc2cc(F)ccc2c1=O 124455710 AUAFZLQLKTVSKY-UHFFFAOYSA-N 262.328 3.506 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(Cl)cc(C(F)(F)F)c1 125345904 AOSUXHCPNCCBAG-JTQLQIEISA-N 291.656 3.818 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 127633413 LBLNBYMOZYWAET-ZYHUDNBSSA-N 295.452 3.852 30 20 CHED CC[C@H](C#N)Sc1ncc(C(C)C)n1C(C)C 127752586 RTQBRWUMOUXBBW-LLVKDONJSA-N 251.399 3.982 30 20 CHED C[C@@H](CSC(C)(C)C)NCc1cccc(C#N)c1 151380997 PHNIFAVQLOAJAI-LBPRGKRZSA-N 262.422 3.568 30 20 CHED C=CCCCN1CCC(Nc2cccc(C)c2)CC1 152997092 CRPFXICPMFDPEC-UHFFFAOYSA-N 258.409 3.838 30 20 CHED CC(C)CCC(=O)N[C@H](CCC#N)c1ccccc1 153682459 DSOWLAAIZBHEKQ-OAHLLOKOSA-N 258.365 3.584 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H](c1ccco1)N(C)C 154146569 DFMNGQGOLSFPOZ-CABCVRRESA-N 264.413 3.607 30 20 CHED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1c(C)noc1C 155888848 MKANGALMFPLXIX-BDJLRTHQSA-N 283.375 3.965 30 20 CHED C=C(C)CSCC(=O)Nc1c(C)cccc1Cl 155946620 AYIXEZVYUZXRHM-UHFFFAOYSA-N 269.797 3.896 30 20 CHED CN(C(=O)c1ccc(Cl)o1)c1cc(Cl)ccc1C#N 156883526 XAXKUCBMVFCMAG-UHFFFAOYSA-N 295.125 3.735 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N(C)CCC#N)cc1 157043995 AURUQXMIFNXYLD-CQSZACIVSA-N 272.392 3.676 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N2CCC(C#N)CC2)cc1 157653176 QPQZTHOOSVQAIF-AWEZNQCLSA-N 284.403 3.505 30 20 CHED COc1cc(C#N)ccc1CNc1cccc(Cl)c1 157725836 VKRQSNWIMOKKAT-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(Br)s1 159969863 GZZSZCNSVHQKBY-QMMMGPOBSA-N 260.200 3.737 30 20 CHED C=CCN(C)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 161396888 MLHDHTMYEYVRBG-STQMWFEESA-N 284.186 3.741 30 20 CHED CC(C)CC1(C(=O)N[C@H](C#N)c2ccccc2F)CCC1 161447325 XCZKVQKEMNDBAF-OAHLLOKOSA-N 288.366 3.723 30 20 CHED C=CCN(C)C(=O)CCCc1ccc(Cl)c(Cl)c1 161450972 DPUINYBLNLTRJN-UHFFFAOYSA-N 286.202 3.961 30 20 CHED N#Cc1ccc(OC(=O)[C@H](c2ccccc2)C2CC2)cc1 161909171 UDLJOBWRGGULQH-QGZVFWFLSA-N 277.323 3.657 30 20 CHED N#CC1(NC(=O)CCCC2CCCCC2)CCSCC1 162154670 SWUJJQDBMWVHHI-UHFFFAOYSA-N 294.464 3.643 30 20 CHED Cc1ccsc1/C=C/C(=O)c1cn(-c2ccccc2)nn1 165041893 YSWAABGPUOCJAV-BQYQJAHWSA-N 295.367 3.533 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccccc1C(C)(C)C 167002797 QYIUZZBHFTVBGH-ZDUSSCGKSA-N 272.392 3.606 30 20 CHED CCCCC[C@@H](NC(=O)CSCC#N)c1ccccc1 171084215 JOXXRJXADBOJHC-OAHLLOKOSA-N 290.432 3.681 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1 171512578 KWUGQJAIHFXYJI-GJZGRUSLSA-N 276.424 3.791 30 20 CHED Cc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1F 174431715 HZIQKSCSURKDFD-CYBMUJFWSA-N 268.335 3.857 30 20 CHED N#Cc1cccc(CNc2ccc(F)cc2OC(F)F)c1 174896906 JDXLRYROZWQUOO-UHFFFAOYSA-N 292.260 3.911 30 20 CHED Cc1cc(C)c(C#N)c(S[C@@H](C)OC(=O)OC(C)C)n1 175226116 ZFSKUTZZZQMULP-NSHDSACASA-N 294.376 3.570 30 20 CHED C#CCCCCNC(=O)N[C@@H](CCC)c1ccccc1 177457236 BQDSPGMKUPBNBD-INIZCTEOSA-N 272.392 3.631 30 20 CHED C#Cc1cccc(N(C(=O)CCCC=C)C(C)C)c1 177854127 OJURQWRFGWIDJY-UHFFFAOYSA-N 255.361 3.766 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCC[C@H]1CC 181103183 MWUIJXLYPFKONY-ZIAGYGMSSA-N 252.402 3.705 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1cccn1C 181112472 JVXOTGNTOHUVOQ-HOCLYGCPSA-N 289.423 3.616 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)cc1 181301710 IXFLFBUYKNUFEA-NSHDSACASA-N 299.305 3.761 30 20 CHED COc1cccc2sc(NCc3cccc(C#N)c3)nc12 181940654 UVZWQVUMNSVJTL-UHFFFAOYSA-N 295.367 3.789 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cc(OC)ccc1O 182424797 IZIGPMAIGPEWDF-QWHCGFSZSA-N 263.381 3.796 30 20 CHED Cc1cnc(SCc2ccc(Cl)cc2C#N)nc1 186591094 RUEAYSKCDUXPKE-UHFFFAOYSA-N 275.764 3.602 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C=C2CCC2)CC1 187294525 RWVHYUQDZMTUDG-UHFFFAOYSA-N 274.408 3.712 30 20 CHED C=CC[C@H](C(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1 187800700 VKWBNACZPZSQMV-INIZCTEOSA-N 297.402 3.937 30 20 CHED C=CCN1CCC(N[C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 187977263 TWKCKMRFSXUKEU-VQTJNVASSA-N 298.474 3.737 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccc(C#N)cc1 187983988 NRBFQUYNMSJDRJ-BLLLJJGKSA-N 257.333 3.765 30 20 CHED Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(C)(C)C#N 189091370 HTSIAFYGSYPMNN-LLVKDONJSA-N 293.436 3.644 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1ccc2c(c1)CCC2 189914953 OQTMYXVJOWVBLU-UHFFFAOYSA-N 298.430 3.649 30 20 CHED C[C@H]1CCCc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1 191602269 PRAAHEKROMGXCN-IFXJQAMLSA-N 293.414 3.700 30 20 CHED CC[C@](C)(NCc1ccc(C#N)c(F)c1)c1nccs1 192109358 NQTRMAANPYUTPK-HNNXBMFYSA-N 289.379 3.569 30 20 CHED CCCCN(Cc1ccccc1C#N)CC(F)(F)F 195222927 KXRNRTRQEPBFFJ-UHFFFAOYSA-N 270.298 3.723 30 20 CHED O=C(/C=C\c1c(F)cccc1Cl)c1ccc(O)cc1O 210008774 XXEMVVKZXPIQIF-SREVYHEPSA-N 292.693 3.786 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C(=O)O)cc2)c(C)s1 213707709 GWIRAJVAWHOKFW-YVMONPNESA-N 286.352 3.959 30 20 CHED C=CCOc1ccccc1C(=O)OC1CCCCC1 219892052 IEXMFNTZUNNRDZ-UHFFFAOYSA-N 260.333 3.741 30 20 CHED CC[C@H](C)[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 249752923 BOSFLTHAFVZTMM-MELADBBJSA-N 260.381 3.674 30 20 CHED CC(C)c1ccc(C(=O)/C=C\c2csnn2)cc1 255544001 JTURSSKAFSYVHJ-FPLPWBNLSA-N 258.346 3.558 30 20 CHED COc1cccc(/C=C2/Cc3cc(F)ccc3C2=O)c1 255632439 UMEGOCKFFTZASX-QPEQYQDCSA-N 268.287 3.657 30 20 CHED C=CCCC(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 264416085 WUMZXDGTQWHILM-AWEZNQCLSA-N 298.386 3.886 30 20 CHED C=CCCSCC(=O)Nc1c(C)cccc1Cl 270125490 LCHJAQAHCGXJLU-UHFFFAOYSA-N 269.797 3.896 30 20 CHED C#CCCCNc1ccccc1SC[C@@H](C)C#N 270920380 NOMNFJJETTZITO-ZDUSSCGKSA-N 258.390 3.764 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc2ccc(O)cc12)OCC 273120544 XYWZPOAKNBVTCA-QGZVFWFLSA-N 299.370 3.855 30 20 CHED C=C(C)CCN1CCC(C(=O)c2ccccc2)CC1 274757040 JFRMJVAFZLIHRH-UHFFFAOYSA-N 257.377 3.548 30 20 CHED C=CCC1(C(=O)NCCc2cccc3cccnc23)CCC1 276572240 NEYUVTSANKRQCJ-UHFFFAOYSA-N 294.398 3.640 30 20 CHED C[C@H]1CCSCCN1Cc1ccccc1C(C)(C)C#N 279195459 FJXJVVRSECFCQO-AWEZNQCLSA-N 288.460 3.815 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1ccc(C#N)cc1 280805593 LIILDXDEENOMPL-SQNIBIBYSA-N 284.403 3.580 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(Cc2ccc(F)cc2)CC1 281186975 ZGMUMBNJWOIYEI-OAHLLOKOSA-N 275.367 3.619 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1c(C)cc(N(C)C)cc1C 281269243 BAACXGSBYIQHND-AWEZNQCLSA-N 289.423 3.846 30 20 CHED CCCCCCCOc1cccc(CN[C@H](C)C(=O)O)c1 283760938 AOPNYMKWRDSLGN-CQSZACIVSA-N 293.407 3.599 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(c2ncccc2C#N)C1 286360516 KVSPWWMUGUOZNW-XJKSGUPXSA-N 263.344 3.541 30 20 CHED N#CCCCCN1CCCN(c2ccccc2Cl)CC1 289368244 OUOHEMXWBHMSOX-UHFFFAOYSA-N 291.826 3.546 30 20 CHED CCSc1cccc(F)c1NC(=O)N(C)C[C@H](C)C#N 290234578 ZRLMIJQKBZGACT-SNVBAGLBSA-N 295.383 3.561 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 290865478 IUZHBNFCZWHZMU-SFHVURJKSA-N 293.370 3.935 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCC#N 291839378 FLRNDHKSDRSNCH-QGZVFWFLSA-N 286.419 3.859 30 20 CHED Cc1nc(Nc2ccc([C@H]3CCOC3)cc2)ccc1C#N 292751658 JPBWSUMNMGXXID-HNNXBMFYSA-N 279.343 3.509 30 20 CHED CCc1c(C(=O)N[C@@](C)(C#N)C(C)C)oc2ccccc12 294423617 FHNCBNZLTUWAHF-KRWDZBQOSA-N 284.359 3.663 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCCC1(F)F 294575867 BHNMJIFYWLPKNI-GFCCVEGCSA-N 278.302 3.631 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)c1ccc(CC#N)cc1 295511200 CSVPUQFHJFDLSC-CQSZACIVSA-N 270.376 3.617 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccccc1Br 297581509 SCKVEKCBUXZTCX-UHFFFAOYSA-N 282.181 3.990 30 20 CHED C=CCN(Cc1ccccc1F)[C@H]1CC[C@@H](C#N)C1 298302409 YEVMZFNFPGLKKZ-HIFRSBDPSA-N 258.340 3.506 30 20 CHED CC(C)CCOCCNc1c(Cl)cccc1C#N 301371065 PQWSTGWBDWQRSC-UHFFFAOYSA-N 266.772 3.686 30 20 CHED C=CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 301468302 NEYCQLLUSBQVQG-UHFFFAOYSA-N 296.282 3.824 30 20 CHED N#Cc1ccc2nc(NCCc3cccc(F)c3)ccc2c1 301805114 DWOYEPSDJACVBY-UHFFFAOYSA-N 291.329 3.900 30 20 CHED CCc1ccc(C2=CCN(c3ccc(C#N)nc3)CC2)cc1 301950938 FHSQERQTUAEJOQ-UHFFFAOYSA-N 289.382 3.809 30 20 CHED N#Cc1ccc2nc(NCCC[C@@H]3CCCCO3)ccc2c1 302226372 PNPBLDPFXYJSLI-INIZCTEOSA-N 295.386 3.868 30 20 CHED Cc1cccc(N(C)Cc2ccc(F)cc2C#N)c1C 303172584 JBNLIVBJJVMECR-UHFFFAOYSA-N 268.335 3.951 30 20 CHED Cc1cc(NCc2ccc(C(C)C)cc2)cc(C#N)n1 308277644 RIPWNKFNGSPYTC-UHFFFAOYSA-N 265.360 3.997 30 20 CHED C[C@@H]1[C@@H](NCC(C)(C)CCC#N)CCN1Cc1ccccc1 309842918 WWYLWLREKKHSGC-AEFFLSMTSA-N 299.462 3.569 30 20 CHED CC[C@H](C)CN(C)Cc1ccc(Br)cc1C#N 310324251 YHVKVYVFDGGAPH-NSHDSACASA-N 295.224 3.799 30 20 CHED O/C(=N/Cc1ccncn1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329204887 XSUKFRUVRUYZTH-MELADBBJSA-N 273.380 3.540 30 20 CHED Cc1[nH]nc(C(C)C)c1C(O)=Nc1cnc2c(c1)CCCC2 329430323 HFYGWGGYWDCTBQ-UHFFFAOYSA-N 298.390 3.752 30 20 CHED N#CC1(/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)CCC1 329498873 JWFWBFZTRROJPP-KBPBESRZSA-N 260.381 3.853 30 20 CHED OC1=N[C@@H](/C(O)=N/[C@H]2CCCCC23CCCC3)CC1 329793428 FRMCHFGAVWXHLV-NEPJUHHUSA-N 264.369 3.565 30 20 CHED O/C(=N/[C@H]1CCCCC12CCCC2)c1ccnc2[nH]cnc12 330293068 DMJREZXTQGGFRE-ZDUSSCGKSA-N 298.390 3.766 30 20 CHED CC[C@@H]1CCCN(C(O)=Nc2cnn([C@H](C)CC)c2C)C1 331164220 XVRBMNQEZFKAGP-TZMCWYRMSA-N 292.427 3.830 30 20 CHED CCc1nc(C)c(N/C(O)=N/[C@H](C)CC(C)(C)OC)s1 331167223 BOCJVEGRGJBMLL-SECBINFHSA-N 299.440 3.543 30 20 CHED CC1(C)Cc2cc(NC(=O)C3(C#N)CCCCC3)ccc2O1 332611078 FUSFELTVLQNKPZ-UHFFFAOYSA-N 298.386 3.813 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 334522451 NQCHJWUPYBGRND-LLVKDONJSA-N 284.746 3.703 30 20 CHED C=Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1 335331284 IRCHHBLKACIPMC-UHFFFAOYSA-N 266.275 3.593 30 20 CHED N#CCCC1CCN(C(=O)c2cccc3c2CCCC3)CC1 335500861 LYPKBQONWICSCX-UHFFFAOYSA-N 296.414 3.721 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2cc(F)ccc2-c2ccoc2)C1 335505602 VJPVXIGTVOSUSP-SMDDNHRTSA-N 298.317 3.508 30 20 CHED N#Cc1cnccc1/C=C/c1cnc(C2CCC2)s1 335938355 PXTOXKAKQRCCCS-SNAWJCMRSA-N 267.357 3.848 30 20 CHED Cc1cc([C@@H](C)NCCc2cccc(C#N)c2)oc1C 337489435 VEWCWRMUXKTYDE-CYBMUJFWSA-N 268.360 3.661 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC(CC)(CC)C1 337832578 ANDLHVUXJSMCRE-UHFFFAOYSA-N 288.439 3.748 30 20 CHED C=CCN(Cc1ccccc1)Cc1cn(C(C)C)nc1C 343556508 TXCMEYRVIXDFOH-UHFFFAOYSA-N 283.419 3.961 30 20 CHED CCOc1cccc(C(=O)Nc2scc(C)c2C#N)c1 344889832 IBJOGJAVKCYZAG-UHFFFAOYSA-N 286.356 3.579 30 20 CHED Cc1ccc(NC(=O)NCC(C)(C)CCC#N)c(F)c1 348054589 JQGYBDOVKQVWHH-UHFFFAOYSA-N 277.343 3.586 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccoc1)C1CCCCC1 351273143 VQQOWCZKLVBZKS-QGZVFWFLSA-N 277.408 3.741 30 20 CHED N#Cc1ccccc1CSCCNC[C@H]1CC=CCC1 351484100 QKEUCXYPVWISIA-HNNXBMFYSA-N 286.444 3.737 30 20 CHED C[C@@H](SCC1(C#N)CC1)c1nc2ccccc2o1 351505673 BNGYQJBVRYRFKG-SNVBAGLBSA-N 258.346 3.926 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(-n2ccc(C)n2)cc1 352540798 PPKJQXHUQUNQGE-UHFFFAOYSA-N 297.402 3.513 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)c1ccsc1 352590568 MWXDPIUMHJKCIL-CYBMUJFWSA-N 289.400 3.702 30 20 CHED COC(=O)c1cc(NCC(C)(C)CCC#N)cc(C)c1C 352928454 CMDGDHHIDRWTNS-UHFFFAOYSA-N 288.391 3.832 30 20 CHED N#CCCCN[C@@H](Cc1cccnc1)c1ccc(Cl)cc1 354956932 BHENJNLTTKIULD-KRWDZBQOSA-N 299.805 3.912 30 20 CHED C=CCCC1(C(=O)Nc2cccc3[nH]ccc23)CC1 355544116 HJHNTDGNKOEMJL-UHFFFAOYSA-N 254.333 3.853 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@H]1CCCC(C)(C)C1 355643526 MZAFYZXNRWXJFW-ZDUSSCGKSA-N 285.391 3.755 30 20 CHED Cc1sc(NC(=O)CCCC(F)(F)F)c(C#N)c1C 356129795 JDCCQHZWYPUUHG-UHFFFAOYSA-N 290.310 3.908 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccn(C)c2CC)CCCC1(C)C 356158375 DYMUMWSQMRSWTO-INIZCTEOSA-N 288.435 3.794 30 20 CHED C=CCOCc1nc(COc2ccc3ccccc3c2)no1 356158637 FVRGIROCZMJIAD-UHFFFAOYSA-N 296.326 3.504 30 20 CHED C=CCC1(C(=O)NCc2nc(C(C)C)c(C)s2)CCC1 359594624 QMUPZDMYSNSEPU-UHFFFAOYSA-N 292.448 3.938 30 20 CHED C=CCCCC(=O)N(CCC#N)CC(CC)CC 360138238 BLBDURLHTBYEFE-UHFFFAOYSA-N 250.386 3.521 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)CCCC#N 361608318 SVZJYUZMVUJCFW-UHFFFAOYSA-N 280.755 3.761 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(C(F)F)c1 362855247 LXAUSZZELGNEKS-STQMWFEESA-N 281.302 3.544 30 20 CHED CC[C@H](C)CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 364384938 VUCHDMTXJBIJRI-BHYGNILZSA-N 284.403 3.721 30 20 CHED CC(C)(C#N)CCCCN1CC[C@@H](c2ccco2)C1 368439432 UTNRCGLRDPHUEU-CQSZACIVSA-N 260.381 3.789 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1CCc1ccccc1 370604462 ZSKUKUWLKZPAMM-MRXNPFEDSA-N 284.403 3.550 30 20 CHED CCC(CC)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 371338846 IWJAZBZKPFKZPS-UHFFFAOYSA-N 297.402 3.546 30 20 CHED C[C@H](F)CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 377125872 JEQHKVDDRSJYCY-CWRNSKLLSA-N 260.356 3.506 30 20 CHED C=C(Br)CNC[C@H](CC)c1ccccc1 379968587 ACXNPKVTHTTZRB-LBPRGKRZSA-N 268.198 3.678 30 20 CHED CCCc1cc(O)nc(/C(=C/c2ccc(C#N)cc2)CC)n1 390835732 WJIFLRVWGBSCGF-XNTDXEJSSA-N 293.370 3.957 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(Br)s1 393819298 QRUJZRZNMFKBGG-MRVPVSSYSA-N 288.210 3.595 30 20 CHED N#CC1(CCN2CCc3ccsc3C2)CCCCC1 411427701 QVRVFULJNPGFIZ-UHFFFAOYSA-N 274.433 3.970 30 20 CHED CCN(CC)CCSCCC1(C#N)CCCCC1 412999415 MCKCHXIZKMBGLT-UHFFFAOYSA-N 268.470 3.926 30 20 CHED Cc1ncsc1C[S@](=O)CCC1(C#N)CCCCC1 417180926 PAVZHXDLEOOTTI-LJQANCHMSA-N 296.461 3.564 30 20 CHED CCCc1ccc(OC)c(OCc2nc(C#N)cs2)c1 418966123 VRSHWBIUTIDJNF-UHFFFAOYSA-N 288.372 3.555 30 20 CHED COCc1ccccc1/C=C(\C)CN[C@@H]1CC[C@H](C#N)C1 424203823 SAQHEIORYUNBDX-JGRVFGOJSA-N 284.403 3.518 30 20 CHED C=C(C)C(C)(C)c1nc([C@H](OC)c2ccc(F)cc2)no1 424345898 GSNWLGADUZNDCQ-CYBMUJFWSA-N 290.338 3.798 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCSc1ccccc1 424534334 ATYIAZVIZJQFCH-UHFFFAOYSA-N 277.433 3.887 30 20 CHED C=C(C)CN(C)C(=O)c1cn(-c2ccccc2)nc1C(C)C 424785068 KYDUZZRRGCGUBC-UHFFFAOYSA-N 297.402 3.644 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1C(F)F 425070201 GWHVWSYIKOGDMH-SNVBAGLBSA-N 269.291 3.544 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)C(=C)C 425489613 KLUZYXJMLWTKMK-UHFFFAOYSA-N 282.387 3.675 30 20 CHED CC1(C)[C@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]21 426451919 VYMRQZTYFJIQMI-GASCZTMLSA-N 293.332 3.645 30 20 CHED CCC(CC)(CC)NC(=O)Nc1cccc(C#N)c1C 432266317 YZETXWSJNSFBSK-UHFFFAOYSA-N 273.380 3.957 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@@H](C)C2(CCC2)C1 432573867 NOPWNKWXBZAKGL-CQSZACIVSA-N 278.440 3.810 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(-c2cccnc2)ccc1C 432804656 ITENCCAPIHFHBS-ZDUSSCGKSA-N 281.359 3.753 30 20 CHED N#Cc1ccccc1CSCCc1ccc2c(c1)CCO2 437273172 YZXWFCAVEKBTFL-UHFFFAOYSA-N 295.407 3.969 30 20 CHED CCCCOC1CCN(c2c(Cl)cccc2C#N)CC1 439358031 LREHNEBDRMGTBU-UHFFFAOYSA-N 292.810 3.997 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)cc(Cl)c1O 443108877 KFBGMERKHKWEPY-CYBMUJFWSA-N 271.719 3.726 30 20 CHED CCCCc1nc(CN2CCCC(C)(C)[C@@H]2C#N)cs1 444729051 MMAQMPMZTLNSGF-AWEZNQCLSA-N 291.464 4.000 30 20 CHED C=C(C)CN(CC)C(=O)c1ccsc1Br 449157878 WUGNUNMZWMUTAM-UHFFFAOYSA-N 288.210 3.549 30 20 CHED C=CC(C)(C)CN[C@H](CC)Cc1ccc(OC)c(OC)c1 449486702 UTGYKFFMBLFNLO-OAHLLOKOSA-N 291.435 3.827 30 20 CHED C=CCC1(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)CCCC1 451802703 NIAHEVJSLOPUPB-CJNGLKHVSA-N 285.387 3.761 30 20 CHED CC[C@@H](N[C@H](C)C(C)(F)F)c1ccc(C#N)cc1 453288965 MBULJEDMPZMACK-ZWNOBZJWSA-N 252.308 3.643 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(NC(C)=O)cc1OC 453310108 QVILGRQQLFTTEZ-LBPRGKRZSA-N 290.407 3.516 30 20 CHED Cc1cc(NC(=O)NCC(C)(C)C#N)c2ccccc2c1 455739150 HUDDLOWOEHNXST-UHFFFAOYSA-N 281.359 3.820 30 20 CHED C=CCCCC(=O)NC1(C(C)(C)c2ccccc2)CC1 456798119 BHPGGGDYEOAHSS-UHFFFAOYSA-N 271.404 3.969 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)[C@H](C#N)CCc1ccccc1 457184618 BIPKGXWFJBXSIQ-ZBFHGGJFSA-N 286.419 3.700 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CCC1 457507097 CULZADRJKFSLEB-SECBINFHSA-N 294.301 3.534 30 20 CHED CCC[C@H](NC(=O)c1cccc(C#N)c1C)C1CCC1 458333385 OVRRIPZKQDUTHN-INIZCTEOSA-N 270.376 3.565 30 20 CHED CC(C)c1ccc(CNCC(C)(C)CC#N)cc1[N+](=O)[O-] 459704251 XIQSQJPIPNXHHJ-UHFFFAOYSA-N 289.379 3.748 30 20 CHED CN(C(=O)[C@]1(C#N)CC12CCCC2)C1CCCCCC1 459913111 WBHFXSQWNORDPM-QGZVFWFLSA-N 274.408 3.642 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N(CC)C(C)C 460561529 QWMPOWMGGQBWGL-UHFFFAOYSA-N 278.444 3.678 30 20 CHED CC#CCCSc1ncc(-c2ccc(F)cc2)o1 462387713 IINWHVQAGLRXBL-UHFFFAOYSA-N 261.321 3.986 30 20 CHED Cc1ccccc1O[C@H](C)CNc1ccc(F)cc1C#N 463084321 JKDAANNCTLPQKJ-CYBMUJFWSA-N 284.334 3.885 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2ccccc2[C@@H]1C 466329593 ZQXRUFDXJAPWFI-DZGCQCFKSA-N 272.392 3.670 30 20 CHED C=CC[C@@H](CC)NC(=O)c1sc(C)cc1OC(F)F 466526075 HZEGPNGAWSVAAR-SECBINFHSA-N 289.347 3.742 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 466635023 VROGPVPREXWSFZ-LBPRGKRZSA-N 265.784 3.553 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NCCc1cccc(C#N)c1 467433086 HCFUJJQHKWKEBJ-HXUWFJFHSA-N 292.426 3.958 30 20 CHED C=CCC(CC=C)C(=O)N=c1cc(C2CCCCC2)[nH][nH]1 467524442 ZBLLTEDQBGGPCQ-UHFFFAOYSA-N 287.407 3.586 30 20 CHED C=CC[C@H]1N(C(=O)CCCC#CC)CCCC1(C)C 470290150 CDMWEROXJWWVGZ-OAHLLOKOSA-N 261.409 3.773 30 20 CHED CCC1(c2ccc(Cl)cc2)CCN(CC#N)CC1 470869287 ZXYMILPYXBHWDE-UHFFFAOYSA-N 262.784 3.607 30 20 CHED C=CCC[C@H](O)CN1C[C@@H](C)C[C@@H]1c1ccccc1F 472582157 PPLLBRVUFHQDBR-GRDNDAEWSA-N 277.383 3.536 30 20 CHED C=CCCCCNC(=O)NC[C@@H](C)Cc1cccs1 472799528 LUJWJULSCPXUBT-ZDUSSCGKSA-N 280.437 3.582 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)Cc1ccccc1C 472865893 ZQVFARNOWQRWHE-HNNXBMFYSA-N 274.408 3.582 30 20 CHED C=C(C)[C@H](CC(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C)OCC 482681889 JPKBOBMTZIKBSW-WCVJEAGWSA-N 281.440 3.546 30 20 CHED CCC1CCC(CNC(=O)c2ccc(C#N)s2)CC1 486689551 IWFDHAABLJTYEJ-UHFFFAOYSA-N 276.405 3.566 30 20 CHED Cc1nc(N2CCc3c(cccc3C(C)C)C2)ccc1C#N 487747121 FMMAEMXFSHNCSC-UHFFFAOYSA-N 291.398 3.948 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC(F)(F)C1 499585553 VVGDJWYTNIXGQK-WCQYABFASA-N 259.340 3.530 30 20 CHED CCCOc1ccccc1NCc1ccc(C#N)cc1OC 500840575 HSAFZFRURUQUGY-UHFFFAOYSA-N 296.370 3.968 30 20 CHED COc1ccccc1C1(CNc2ccc(C#N)cc2)CC1 503567877 DHOQBTYCVUMAIH-UHFFFAOYSA-N 278.355 3.711 30 20 CHED CCCC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CC1 505660363 LICDXVXJTNWGLS-ZDUSSCGKSA-N 276.767 3.601 30 20 CHED Cc1cc(OCc2nc(CC(C)C)no2)c(C)c(C)c1C#N 506431003 FPNHPRXLWAXBFX-UHFFFAOYSA-N 299.374 3.644 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1ccc2ccccc2c1 514243805 YFHOSDDYMGZBAY-KRWDZBQOSA-N 282.387 3.994 30 20 CHED Cc1c([C@H](C)NCc2ccc(C#N)cn2)oc2ccccc12 514684098 LSWLYUXOOIZJOZ-ZDUSSCGKSA-N 291.354 3.859 30 20 CHED CCCOc1cccc(Nc2snc(C)c2C#N)c1 516595858 OMWKLCNFVPYSDK-UHFFFAOYSA-N 273.361 3.856 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SCCF 525199199 RSZVOXYTLSXTFQ-UHFFFAOYSA-N 258.321 3.682 30 20 CHED N#CC[C@H](CC(=O)NCC12CCC(CC1)C2)c1ccccc1 527252298 HFTDFFLDCIZWTJ-URSIVYNOSA-N 296.414 3.770 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ncccc1F 528036819 YLMBLPQNZWESOJ-NEPJUHHUSA-N 269.323 3.504 30 20 CHED COc1ccc([C@@H](NC2CCC(C)(C#N)CC2)C2CC2)cn1 528043713 RMAGJYKALZMQDG-NXYGQSRBSA-N 299.418 3.603 30 20 CHED CCOc1ccc(NC(=O)C(C#N)(CC)CC)c(C)c1 528084812 UFBCDMGKLXXSDQ-UHFFFAOYSA-N 274.364 3.662 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)Cc1cc(Cl)cc(Cl)c1 528798131 KQLMLEFVJUFEJL-LBPRGKRZSA-N 299.201 3.590 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 530597294 RNTSLUJFVHASGB-YMTOWFKASA-N 299.201 3.905 30 20 CHED CC[C@@H](CNCc1cccc(C#N)c1)Oc1cccc(F)c1 531478599 SPBYXEGBMYRZPJ-KRWDZBQOSA-N 298.361 3.645 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)CC(CC)CC)OCC 534414789 KCGLEJUEKBGYPH-HNNXBMFYSA-N 269.429 3.642 30 20 CHED C[C@H](NC(=O)N1CCC(CC#N)CC1)[C@H](C)c1ccccc1 540996212 ZYMHLECVOHUGPG-GJZGRUSLSA-N 299.418 3.514 30 20 CHED C=CCCCC(=O)N1[C@H](C)Cc2cc(OC)ccc2[C@H]1C 541005777 CQWDVVVGWHQLKE-ZIAGYGMSSA-N 287.403 3.886 30 20 CHED C=CCCC[C@@H](C)N[C@@H](COC)Cc1ccccc1 541588314 DBSBXOGVDVCFNT-NVXWUHKLSA-N 261.409 3.579 30 20 CHED Cc1c(Cl)cnc(N[C@H](C)c2ccc(C#N)cc2)c1C#N 542280424 LTFBTFOUHSOFON-LLVKDONJSA-N 296.761 3.960 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H](c3ccccc3)C2)c1C#N 543138044 CKFMZPQLCREZQD-AWEZNQCLSA-N 297.789 3.909 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 544354197 WVKTULZWPRCTLA-JYJNAYRXSA-N 296.455 3.624 30 20 CHED COc1cc(C#N)ccc1CNC(C)(C)c1ccccc1C 549868335 TYWVMOGFWIEGCE-UHFFFAOYSA-N 294.398 3.900 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SC[C@H]1CCCO1 551059431 HLKICYRLRMFEHQ-OAHLLOKOSA-N 296.395 3.891 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1occc1C(C)C 551305538 OMYBXXPCHWEMKK-UHFFFAOYSA-N 284.315 3.536 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 551319767 VSNUGDCTOAGSQS-INIZCTEOSA-N 271.404 3.726 30 20 CHED C=CCN(CCc1ccco1)C[C@H](OC)c1ccccc1 555054586 LBXRLVVRDUNEGD-SFHVURJKSA-N 285.387 3.698 30 20 CHED CC(C)(CCC#N)CNC(=O)NCc1cc2ccccc2o1 558424433 UMTOUGXNOVTPSH-UHFFFAOYSA-N 299.374 3.562 30 20 CHED CN(Cc1ccccc1C(F)(F)F)CC(C)(C)C#N 560569149 COKUHKXQMCWQCT-UHFFFAOYSA-N 270.298 3.687 30 20 CHED Cc1ccc(CCNc2cc(C(F)(F)F)cnc2C#N)o1 560814876 LQHKXYZBMJZKKK-UHFFFAOYSA-N 295.264 3.528 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(OC)c(C)c2)no1 561892597 JFEKJADBZOCBOS-INIZCTEOSA-N 272.348 3.907 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C 562246918 QHQXRDQTRRCENP-KBXCAEBGSA-N 279.387 3.662 30 20 CHED CC[C@H](NC[C@@H](O)C1CCCCC1)c1ccc(C#N)cc1 562593593 QFUGXXSDHDXIOJ-ZWKOTPCHSA-N 286.419 3.540 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)c(Cl)c1 562694108 ADYWSOYZPOIBAF-WOPDTQHZSA-N 274.751 3.586 30 20 CHED C=C(C)CN1CCC(N[C@H]2C[C@H](C)c3ccccc32)CC1 564144815 VVRUOLPSUWVNFH-KXBFYZLASA-N 284.447 3.865 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2C=CCCC2)nc2ccccc12 569168801 MYJOBLXRIGTCIP-CYBMUJFWSA-N 291.354 3.791 30 20 CHED CC#CCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 572909295 LCOOQKNKCDDNMG-LBPRGKRZSA-N 269.310 3.592 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 575863842 JUEXJUWUOOKIHK-JTQLQIEISA-N 271.751 3.606 30 20 CHED C=CCC[C@@H](C(=O)N[C@H]1CCCSC1)c1ccccc1 577835337 WKYOALIKIJIROF-JKSUJKDBSA-N 289.444 3.748 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC(CC)CC1 580660922 XGTORMOUJSAJHR-UHFFFAOYSA-N 288.439 3.748 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3cc(C#N)cc(C)n3)C2)cc1 588035786 ZIWUXVHRMNJSSK-QAPCUYQASA-N 291.398 3.953 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H]1C1CCCC1 588302900 JUWXEUZIUMQKQO-OAHLLOKOSA-N 262.397 3.642 30 20 CHED Cc1cc(F)ccc1CON=Cc1ccc(F)cc1 588426160 CGAYKUKFCOAPPL-UHFFFAOYSA-N 261.271 3.824 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCCCCC#N 588662803 NMQTUGPKXTXEBK-KBXCAEBGSA-N 284.403 3.900 30 20 CHED C=C(CNC(=O)CSCCC(C)C)c1ccccc1 588776851 NQTNOZPUKFZEFK-UHFFFAOYSA-N 277.433 3.595 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 589578639 XYDBRZSVZJYHGI-IAGOWNOFSA-N 293.326 3.609 30 20 CHED Cc1sccc1CN[C@H]1CCc2cc(C#N)ccc21 590188341 VGUDLUUQCHLLRC-INIZCTEOSA-N 268.385 3.705 30 20 CHED CN(Cc1ccc(F)c(F)c1)c1nc(C#N)c(Cl)s1 590571480 PNJWVICXHWNMLA-UHFFFAOYSA-N 299.733 3.583 30 20 CHED Cc1cc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 590780049 APZPNPRHRCJMPA-LJQANCHMSA-N 291.398 3.737 30 20 CHED Cc1cc(-c2ccc(C#N)s2)ccc1N1CCCC1=O 592988037 DTASLSPLTWMERF-UHFFFAOYSA-N 282.368 3.722 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C 593606215 CBNXYUXPNMPYKC-KMFMINBZSA-N 284.403 3.612 30 20 CHED N#Cc1cc(-c2cccc(CN3CCCC3)c2)ccc1O 593951751 HXFWBWKEXYTWMG-UHFFFAOYSA-N 278.355 3.527 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 594097377 MOEOQJRISVYOFS-KOLCDFICSA-N 299.201 3.857 30 20 CHED COc1ccc([C@H](C)N(C)CCc2ccc(C#N)cc2)cc1 595290209 STBNUIMQWUTWAO-HNNXBMFYSA-N 294.398 3.802 30 20 CHED CCc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CC#N)C2)cc1 595425507 FWMSDWJFAAXTGJ-GDBMZVCRSA-N 299.418 3.645 30 20 CHED N#CC[C@@H]1CCCN(c2nc(C3CCCCC3)ns2)C1 596324877 DPFZBWQBOIYTSE-LBPRGKRZSA-N 290.436 3.716 30 20 CHED N#Cc1ccc(CSCc2cc(C3CC3)no2)c(F)c1 596403449 RDWBJRGXMHAQFU-UHFFFAOYSA-N 288.347 3.996 30 20 CHED C[C@H](c1noc(CC2(C#N)CCCCC2)n1)C1CC1 596590588 OXXGSGHXVDZGPH-NSHDSACASA-N 259.353 3.600 30 20 CHED C=CCCC(C)(C)NC(=O)NC1CCC(CSC)CC1 596612869 UKDVKBPOTNPDNV-UHFFFAOYSA-N 298.496 3.952 30 20 CHED CC(C)(NC(=O)CC1(C#N)CCCCC1)c1ccccc1 596947197 DZELXKDMRAFDKY-UHFFFAOYSA-N 284.403 3.902 30 20 CHED CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cc(C)ccc1C 599645136 MXZCRAFFPQUZNS-DOTOQJQBSA-N 288.435 3.645 30 20 CHED COc1cc(COc2ccc(C#N)cc2C)ccc1C 600859063 IYVQWFUSLUBMSV-UHFFFAOYSA-N 267.328 3.763 30 20 CHED N#Cc1ccc(OCc2cccc3c2CCOC3)c(Cl)c1 600860641 GBDWZCDTQZMSNN-UHFFFAOYSA-N 299.757 3.863 30 20 CHED N#Cc1ccc(CNc2ccc3oc(CO)cc3c2)c(F)c1 600862692 ZDUNZNIOSMFTEL-UHFFFAOYSA-N 296.301 3.548 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1ccccc1Cl 602436181 YAWHZPPZFGAYCO-LBPRGKRZSA-N 250.773 3.712 30 20 CHED C[C@@H](CCC#N)CN1CCCN(Cc2ccccc2)C[C@@H]1C 602470855 IYAJFRGSKMMPKD-ROUUACIJSA-N 299.462 3.523 30 20 CHED C=CCCCN1CCc2[nH]c3ccc(C)cc3c2C1 605150771 ZZLNGVYCPVUHOM-UHFFFAOYSA-N 254.377 3.801 30 20 CHED CCc1nc2ccccc2n1N=C/C=C\c1ccco1 606375864 GUPAVCLCIAMGBJ-ICYQQUNYSA-N 265.316 3.739 30 20 CHED CC[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1Cl 608885338 WDUMCUUAUQMCLU-DGCLKSJQSA-N 263.772 3.987 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)CSc1ccccc1 609516696 FWDGRBSHEYJBSF-CQSZACIVSA-N 290.432 3.565 30 20 CHED Cc1cc(F)ccc1CN[C@@H](C)c1cccc(C#N)c1 610344873 JWBMNJXVTLQFFQ-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED CC1CCN(CCCNc2cccc(Cl)c2C#N)CC1 610352987 ZGZUMNAOSMRNJQ-UHFFFAOYSA-N 291.826 3.746 30 20 CHED Cc1cc([C@H](C)NCc2cccc(C#N)c2)ccc1F 610583456 NAQCRRTZQJLFGY-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED CCOc1ccc(CSc2cccc(C#N)c2)nc1 610722497 SSAKJBMMDWDIGZ-UHFFFAOYSA-N 270.357 3.644 30 20 CHED Cc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cn1 611476030 CQDCJXPJRPQQHC-KRWDZBQOSA-N 263.344 3.751 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(CC#N)cc1 612121896 SIZNLUJEEXXCQR-WFASDCNBSA-N 296.336 3.915 30 20 CHED CC[C@H]1C[C@H](C)CN1c1nc(C(C)(C)C)ccc1C#N 613425869 JJBDVGKOKOZXGO-JSGCOSHPSA-N 271.408 3.876 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)C1(C)C 617987563 XSBVRGXXPKLQIE-ILXRZTDVSA-N 288.435 3.766 30 20 CHED Cc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)c(C)c1 618742008 OURNHZOLTVBMGD-IBGZPJMESA-N 276.383 3.952 30 20 CHED Cc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)c(C)c1 619763315 ZCQWVGUAKWEIIY-UHFFFAOYSA-N 298.773 3.759 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 622823677 CLZVTKPCKCFWKS-MRVPVSSYSA-N 293.235 3.645 30 20 CHED C=CC(C)(C)c1nc(C2(c3cccc(F)c3)CC2)no1 624668506 CGAFZPUDGWKJAJ-UHFFFAOYSA-N 272.323 3.752 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Cc1ccccc1C 626851005 LHHXHPLEHMDFBO-HOCLYGCPSA-N 259.393 3.645 30 20 CHED C=CCCCCNC(=O)[C@H]1CCCc2ccc(OC)cc21 653751091 HXVQYSZULIICTN-INIZCTEOSA-N 287.403 3.588 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCc2c(C)cccc21 655965808 SRXOIZRHBGKPQE-UHFFFAOYSA-N 272.392 3.669 30 20 CHED C=CC[C@H]1CCCN(Cc2cc(C(=O)O)sc2C)C1 656759757 LHSIIZMGGUOMIV-LBPRGKRZSA-N 279.405 3.543 30 20 CHED C=CCOc1cccc(CN(C)Cc2ccsc2)c1 678126043 DODRNKPTZXCYBY-UHFFFAOYSA-N 273.401 3.945 30 20 CHED CC#CCCCC(=O)Nc1ccc2c(cnn2C(F)F)c1 681000109 SGSPPYYPMCAJEL-UHFFFAOYSA-N 291.301 3.564 30 20 CHED C=C[C@@H]1CCCCN1C[C@@H]1CCOc2ccccc21 683843616 IJQRYUKGMWXPSB-LSDHHAIUSA-N 257.377 3.593 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1[nH]c(-c2ccccc2)nc1C 683883966 QWNGBXCEIYPCIR-OAHLLOKOSA-N 295.386 3.566 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C1CCCCC1)C1CC1 684928675 RKRVXRFYRCOYCP-CYBMUJFWSA-N 264.413 3.848 30 20 CHED CS[C@@H]1CC[C@@H](N(C)CCCCC(C)(C)C#N)C1 687678815 RZGMUYUWFKRRAP-ZIAGYGMSSA-N 268.470 3.922 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@@H](C)c2ccco2)c1 726484492 DMYQKUSJXYPUDG-LBPRGKRZSA-N 284.384 3.651 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 727651953 UFGFKORKRIMJRQ-UHFFFAOYSA-N 279.683 3.677 30 20 CHED Cc1cccc2c1CCC2=NNc1cccc([N+](=O)[O-])c1C 729145300 NXGGOSZRNKNJRP-UHFFFAOYSA-N 295.342 3.974 30 20 CHED C[C@H](C=NNCCCOc1ccccc1)c1ccccc1 729147420 APTBOUPWXZGGPC-MRXNPFEDSA-N 282.387 3.835 30 20 CHED CCC(CC)CN(CCC#N)C(=S)NC1CCCCC1 729642197 HARQDRJBIVAMIT-UHFFFAOYSA-N 295.496 3.845 30 20 CHED CC/C=C(\C)C(=O)[C@H](C#N)c1ccc2ccccc2n1 729891037 WDXASRJYTGDVFV-TZWLIRKLSA-N 264.328 3.767 30 20 CHED Cc1cc(F)ccc1C=NN=c1cc[nH]c2ccccc12 730146319 PWNDVXNUZCVVFI-UHFFFAOYSA-N 279.318 3.550 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 730892401 OBSIJHBZIDGHNH-JTQLQIEISA-N 286.718 3.525 30 20 CHED C=CC[C@@H](NC(=O)NCc1ccccc1C)c1ccncc1 734654251 RWGAVBCHOZTABR-QGZVFWFLSA-N 295.386 3.507 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)Sc1ccccc1Cl 736242585 NYKXFKPZWQLGRN-SECBINFHSA-N 290.215 3.689 30 20 CHED CCCCCCCN1CCC(N(C)C(=O)OCC)CC1 740875732 HXLWYRBRLJBCPB-UHFFFAOYSA-N 284.444 3.510 30 20 CHED CSc1ccc(C(C)=NNc2ccc(F)cn2)cc1F 741764662 UFEIZRBZBRVVQB-UHFFFAOYSA-N 293.342 3.918 30 20 CHED C=CC[C@H](NC(=O)/C=C(\C)C(C)(C)C)c1ccncc1 742677912 SMWRCOGCFKLPRM-LHNRBYRGSA-N 272.392 3.807 30 20 CHED Cc1ncsc1C=NNc1ccc(Cl)cc1 743418613 FHKZZLGOAHHVLO-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CON=C(C)c1cnn(-c2ccc(Cl)cc2Cl)c1C 743436206 UKVGUMDCQBMGQV-UHFFFAOYSA-N 298.173 3.858 30 20 CHED COc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(F)c1 748679174 BTVFWCRIEMDPPW-LLVKDONJSA-N 299.301 3.624 30 20 CHED CCC1(C)CCN(C(=O)/C=C/c2ccccc2C#N)CC1 750768451 MICZIAXBWOVBMU-CMDGGOBGSA-N 282.387 3.610 30 20 CHED Cc1cc(F)ccc1NN=C1[C@@H]2CCCO[C@H]2C1(C)C 750939156 WDDPIFPBNKLYGV-SWLSCSKDSA-N 276.355 3.737 30 20 CHED C#C[C@H](CC)NC(=O)c1sc(-c2ccccc2C)nc1C 754371875 RXGNUBZDGKXZKF-CYBMUJFWSA-N 298.411 3.569 30 20 CHED C=CCc1cc(CN2CCC[C@H]2C(C)C)c(O)c(OC)c1 754723924 XZKWSLKDFHECOO-INIZCTEOSA-N 289.419 3.750 30 20 CHED CCCCO[C@H]1CC(=NO[C@@H]2CCCCO2)C1(C)C 755821391 QWFKXWYEUNYMLU-UONOGXRCSA-N 269.385 3.501 30 20 CHED Cc1ccnc(NN=C2CCc3c(Cl)cccc32)c1 755900670 NXEIWAKPJREBPZ-UHFFFAOYSA-N 271.751 3.806 30 20 CHED COc1ccc(-c2ccccc2)cc1C=NNCC(F)F 756829457 PMLWGCBOSIVKTR-UHFFFAOYSA-N 290.313 3.551 30 20 CHED C[C@@H](C#N)CNCc1ccc(OCc2ccccc2F)cc1 757906162 IYXJZUVLEDJWPE-AWEZNQCLSA-N 298.361 3.654 30 20 CHED CCCCCCCCCNC(=O)C1(C#N)CC(C)C1 758164937 VFFANIGJAWTKIP-UHFFFAOYSA-N 264.413 3.793 30 20 CHED Cc1cc(COC(=O)c2ccc(CC#N)cc2)c(C)s1 758695732 JXKNZQGBKZUTQV-UHFFFAOYSA-N 285.368 3.788 30 20 CHED C#CCCCC(=O)O[C@H](CC)c1cc(C)ccc1OC 758991657 ARTQLFBXMNQBQU-OAHLLOKOSA-N 274.360 3.801 30 20 CHED C#CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)C1CCCCC1 759172485 UURDRZQUTIJDHX-HUUCEWRRSA-N 261.409 3.607 30 20 CHED C#CCCn1nc(-c2ccccc2)nc1-c1ccccc1 760368651 KIALVACEICBGSJ-UHFFFAOYSA-N 273.339 3.635 30 20 CHED Fc1ccc(C=NNc2ccccn2)c(Cl)c1Cl 761748591 IHKWFXPFNXXNBM-UHFFFAOYSA-N 284.121 3.974 30 20 CHED N#Cc1cccc([C@H]2CN(CCCC3CCCC3)CCO2)c1 761767595 ZVXHAYOHNILGCL-LJQANCHMSA-N 298.430 3.902 30 20 CHED FC(F)(F)c1ccc(C=NO[C@@H]2CCCCO2)s1 761827656 HNWXCOBSDSNGLK-SNVBAGLBSA-N 279.283 3.644 30 20 CHED C#Cc1ccc(-c2nc([C@@H](C)c3ccccc3C)no2)cn1 762335372 KPXKRRIKJCFAJP-ZDUSSCGKSA-N 289.338 3.573 30 20 CHED C=CCOc1ccccc1CNC(=O)C(F)=C1CCCC1 763043962 KOBBJXJFKWUDEF-UHFFFAOYSA-N 289.350 3.665 30 20 CHED CCC(CC)CN(CCC#N)C/C(Cl)=C/Cl 763557618 GAVVOPVNVFSEGB-WQLSENKSSA-N 263.212 3.957 30 20 CHED C=CCOc1ccc(COC(=O)C23CCC(CC2)C3)cc1 763639873 LEVMNTRVWVJDCG-UHFFFAOYSA-N 286.371 3.875 30 20 CHED C(=NOCCCC1CCCC1)c1ccc(-n2cncn2)cc1 764546943 IEYOCBNYZQNPOT-UHFFFAOYSA-N 298.390 3.588 30 20 CHED Cc1cc(C)nc(NN=C2CCC(C(F)(F)F)CC2)n1 766007841 DBTXFMDTAYBRAU-UHFFFAOYSA-N 286.301 3.614 30 20 CHED Cc1cc(/C=C2/CCc3cc(C#N)ccc3C2=O)ccc1C#N 766491985 SPOBCKBCYDJWSN-MFOYZWKCSA-N 298.345 3.951 30 20 CHED COc1cc(C#N)ccc1COc1cnc(Cl)cc1C 766751212 JYPWQVQSNYNFFV-UHFFFAOYSA-N 288.734 3.503 30 20 CHED C#CCCCN1CCCC[C@H]1c1ccccc1OC 766900933 OVYMRGJIPIKZFW-INIZCTEOSA-N 257.377 3.636 30 20 CHED C[C@@H]1CCC[C@@H](OCCCCCC(=O)O[C@H](C)C#N)C1 766982675 KPDNDMDVXKGLLW-RBSFLKMASA-N 281.396 3.597 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)CCCC(C)(C)C 767156312 MVKJGSJFAFJMFZ-UHFFFAOYSA-N 277.330 3.617 30 20 CHED CCON=Cc1sc(Nc2ccccc2)nc1Cl 767461394 JOMCOHWQOCIALC-UHFFFAOYSA-N 281.768 3.911 30 20 CHED Cc1cc(C=NNCc2cnc3ccccc3c2)c(C)o1 767900943 QEVUCWZBJGYETE-UHFFFAOYSA-N 279.343 3.568 30 20 CHED CCCCCCCC(=O)Nc1cc(CO)ccc1C 768898969 CRCUODWZLNKZPB-UHFFFAOYSA-N 263.381 3.786 30 20 CHED C=CCCCCNC(=S)Nc1ccc(OCC)cc1 769761131 UIPSJLGNXACBTM-UHFFFAOYSA-N 278.421 3.728 30 20 CHED C=C(C)CNc1ccccc1C(=O)N(CCC)C(C)C 771191783 UPVOQBGNXAFHTQ-UHFFFAOYSA-N 274.408 3.935 30 20 CHED CC(C)c1nccnc1NN=C[C@H](C)c1ccccc1 773079032 RXZPWGCQHOCBNR-ZDUSSCGKSA-N 268.364 3.801 30 20 CHED C#CC[C@H](NCCO[C@H]1CCCC[C@H]1C)c1ccccc1 775400281 YMMPFKGPTMVMDZ-NEWSRXKRSA-N 285.431 3.936 30 20 CHED C=CCCCCNC(=O)Nc1cccc(C(F)(F)F)n1 775730810 DRNLBUHAPRQTOM-UHFFFAOYSA-N 287.285 3.578 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1ccc(OC)c(F)c1 776204525 VBHFJGSFKIMCPA-NSHDSACASA-N 296.411 3.866 30 20 CHED N#C[C@H](OC(=O)/C=C/c1ccccc1F)C1CCCCC1 776363693 GFBWZCXGRPCJKK-OFAQMXQXSA-N 287.334 3.855 30 20 CHED CC(C)(C#N)CCOC(=O)C[C@@H]1CCc2ccccc2C1 776385352 PGIVXONINJMRPK-CQSZACIVSA-N 285.387 3.665 30 20 CHED Cc1cc(C)c(C(=O)O[C@@H](C#N)C2CCCCC2)o1 776393588 HSMGRMJYJMDEHR-ZDUSSCGKSA-N 261.321 3.526 30 20 CHED CC(C)Oc1ccc([C@H]2CCCC2=NNC[C@H](C)C#N)cc1 776775052 ALUCSXRZBUFMEY-RHSMWYFYSA-N 299.418 3.847 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)[C@@H]2CCCc3cccc1c32 777466321 AAZKLXVVCOYRBJ-GRRFOWRYSA-N 279.314 3.921 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2F)CCc2ccccc21 777912901 QDMVQXZZUAZXSN-UKTHLTGXSA-N 297.285 3.946 30 20 CHED COC(=O)c1cccc(NN=Cc2cc3ccccc3o2)c1 779825796 AFFXFTHZBBSWHG-UHFFFAOYSA-N 294.310 3.665 30 20 CHED CC(=NNc1ncc(F)cn1)c1cc2ccccc2s1 780235179 FMDYSEQFMQTRNK-UHFFFAOYSA-N 286.335 3.667 30 20 CHED CC1(C)C[C@@H](NN=C2CCC(C(F)(F)F)CC2)CCO1 780249711 HOPLBXJBLCRTRJ-KFJBMODSSA-N 292.345 3.642 30 20 CHED C=CCCCCCOC(=O)c1cc2c(s1)CCOC2 783461859 QCAQMNJTJHCNKD-UHFFFAOYSA-N 280.389 3.724 30 20 CHED CCCCCC[C@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 784174385 NQSJPLIIBDAICN-GOEBONIOSA-N 279.428 3.681 30 20 CHED C#CCOc1ccc(NC(=O)c2occc2C(C)C)cc1 786118972 XDNHAZSJFJZGLP-UHFFFAOYSA-N 283.327 3.667 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc2cc(C)ccc2o1 787089340 GNHVTTPYJGJKAM-GFCCVEGCSA-N 257.289 3.590 30 20 CHED C=C(Cl)COC(=O)C[C@@H](C)c1c[nH]c2ccccc12 787215797 MENGKPKLKHTTHO-SNVBAGLBSA-N 277.751 3.957 30 20 CHED C[C@@H](C=NNCC(F)F)c1ccc(C(F)(F)F)cc1 789021187 SAEOCNZXFMHWOD-QMMMGPOBSA-N 280.240 3.649 30 20 CHED N#Cc1ccccc1S/C=C\c1ccc([N+](=O)[O-])o1 789922662 SNVWKBVFXPOHQQ-FPLPWBNLSA-N 272.285 3.822 30 20 CHED CCOC(CON=Cc1ccc(C(C)C)cc1)OCC 792730385 RJGCWNXXGYWIOD-UHFFFAOYSA-N 279.380 3.560 30 20 CHED C[C@H](NN=C/C=C/c1ccc(F)c(F)c1)C(C)(C)C 793113558 AYCYAODYZMTTMB-GOWLFLSYSA-N 266.335 3.988 30 20 CHED CSCCON=Cc1cc(C(F)(F)F)ccc1F 794573081 PVTUABYQARGJJC-UHFFFAOYSA-N 281.274 3.558 30 20 CHED Cn1cc(C=NNC2CCCCC2)c2cc(F)ccc21 794859655 ZDXQCMZCIVMQHF-UHFFFAOYSA-N 273.355 3.574 30 20 CHED O=C(/C=C\c1ccnn1-c1ccc(F)cc1)c1ccccc1 794927199 PGFSBIYMZKMRJD-KHPPLWFESA-N 292.313 3.908 30 20 CHED C=CCNN=C(C)[C@H](C)Oc1ccc(Cl)cc1Cl 794994662 WBVOJXLWKULPLD-JTQLQIEISA-N 287.190 3.912 30 20 CHED COCCCON=C1CCSc2cc(C)c(C)cc21 795041682 GFFITJCJBNEKJR-UHFFFAOYSA-N 279.405 3.556 30 20 CHED CC[C@H](C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797569165 NUHHRKNSHDBXAI-UWVGGRQHSA-N 264.394 3.663 30 20 CHED Cc1ccc2c(c1)SCC2=NNc1nc2ccccc2[nH]1 797785918 YTUQXVCLECGXMV-UHFFFAOYSA-N 294.383 3.793 30 20 CHED Cc1ccc(C(=O)OCc2ccc(F)cc2F)cc1C#N 799548156 IAVISRGDZGBFBR-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C/C(C=NNCC(F)F)=C/c1ccccc1C(F)(F)F 799882583 WTRQZQSKQFJIQD-LXWNBQBPSA-N 292.251 3.949 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C#N)cc2F)oc1C 799896355 IAGPXUPKBDHVAX-AATRIKPKSA-N 269.275 3.803 30 20 CHED Cn1cnc(/C=C/C(=O)c2cc3ccccc3s2)c1 800794513 IHEKCYCIQRBFBO-VOTSOKGWSA-N 268.341 3.531 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc([N+](=O)[O-])c(F)c2)c1 801523788 UUSKTNHPNHLAIA-UHFFFAOYSA-N 298.317 3.742 30 20 CHED C[C@H](C#N)OCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 801932091 GQGRUYQEWVJFNQ-RDTXWAMCSA-N 297.402 3.624 30 20 CHED C=CCOc1ccc(C(=O)OCCSC(C)C)cc1 803273016 KPDOGLIDVNGZKX-UHFFFAOYSA-N 280.389 3.550 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C(=C/C)CC 804559706 FBGNKOIUQXIRIA-FRKPEAEDSA-N 289.423 3.725 30 20 CHED N#CCOC(=O)C1(Cc2cccc(Cl)c2)CCCCC1 805707674 WXYWPDFXMKWDMA-UHFFFAOYSA-N 291.778 3.900 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(-c2ccccc2)cc1F 806200146 XRZBIWGAQHLDIT-GFCCVEGCSA-N 282.318 3.636 30 20 CHED Cc1ccsc1/C=C/C(=O)c1cccc(-n2ccnn2)c1 806575696 KFUAPYCTXIOOQN-AATRIKPKSA-N 295.367 3.533 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc2nonc12)c1ccccc1 808801125 DHPJTHJDRMGPKN-CYBMUJFWSA-N 293.326 3.521 30 20 CHED C#CCCCc1nc(-c2ccccc2C(F)(F)F)no1 809252494 VYXDCDDZBXQKLV-UHFFFAOYSA-N 280.249 3.711 30 20 CHED C#C[C@@H](C)N[C@H](C)CCc1cccc(C(F)(F)F)c1 809683789 OZHYSYZCEMZQHW-VXGBXAGGSA-N 269.310 3.638 30 20 CHED C#Cc1ccccc1CC(=O)Oc1cccc(Cl)c1F 810695091 NHFQXPCXYVUCAH-UHFFFAOYSA-N 288.705 3.609 30 20 CHED Cc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)c(C)c1 811695509 HWETYDDOZJHUPY-RQZCQDPDSA-N 273.335 3.998 30 20 CHED C#C[C@H](NC(=O)N(C)CCC(C)C)c1ccc(Cl)cc1 811963308 KPYWWXMEHVLBQF-HNNXBMFYSA-N 292.810 3.702 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 812110367 QQJQRASCTHYMQL-ZBFHGGJFSA-N 286.419 3.745 30 20 CHED CC(C)(C)c1n[nH]cc1C=NNc1ccccc1Cl 812376005 LMEMYAKTZVFIGH-UHFFFAOYSA-N 276.771 3.807 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)CSc1ccccc1)C(C)(C)C 813777419 JUWDEXGPCLABLS-UKRRQHHQSA-N 289.444 3.579 30 20 CHED CCC(C=NNCc1ccc(C#N)cc1)(CC)CC 814882096 CWRGZPIATZGFQQ-UHFFFAOYSA-N 257.381 3.850 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1cc[nH]n1 814913729 VAYXWRDIVGKLCM-UHFFFAOYSA-N 269.135 3.553 30 20 CHED CCc1cccc(C)c1NN=C[C@](C)(OC)C1CC1 814923565 UNJQABAZWWWPOW-INIZCTEOSA-N 260.381 3.770 30 20 CHED CN(CCC#N)c1ccc(CNC[C@H]2CCCC2(C)C)cc1 815163777 QWJKDTKUCYGILI-QGZVFWFLSA-N 299.462 3.952 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(Cl)c(F)cc1O 816503538 BPMYQAIXHKXRIJ-UHFFFAOYSA-N 298.789 3.946 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N(C)CC(C)(C)C#N 817611392 IPAVODKCYPKPIP-MRXNPFEDSA-N 266.429 3.991 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC(CC#N)CC1 821816469 NVSQVEWZYUZYOX-GOSISDBHSA-N 298.430 3.716 30 20 CHED CCc1nocc1/C=C1\COc2ccc(C)c(C)c2C1=O 834424813 CLYUIMYQIAROEQ-NTUHNPAUSA-N 283.327 3.513 30 20 CHED CC[C@@H](C)[C@H](C=NNc1ccc2ccccc2n1)OC 834919566 JBLBZMXECKXVSK-DOMZBBRYSA-N 271.364 3.694 30 20 CHED C#CCCCCCCOC(=O)[C@H]1CCCC(F)(F)C1 835714615 MACJQDMPPOWUAW-ZDUSSCGKSA-N 272.335 3.939 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(N2CCCCC2)c1 836326079 UFWLKQHUVMHQKF-UHFFFAOYSA-N 287.407 3.765 30 20 CHED CSc1ccc(C)c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 839041476 BOLVQGQJLIGJSY-OLZOCXBDSA-N 289.400 3.956 30 20 CHED Clc1ccc(NN=Cc2c[nH]nc2-c2cccnc2)cc1 839380844 CLRPJODJZMQIQU-UHFFFAOYSA-N 297.749 3.571 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)/C(C)=C/C(C)(C)C 839425206 LRWCSLDGLGAVKG-PKNBQFBNSA-N 284.359 3.692 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCCC1(C#N)CCCCC1 840477210 PHXUYKJKFFSGKA-INIZCTEOSA-N 293.407 3.623 30 20 CHED CCOc1cccc(/C=N/C[C@@H]2CCCC2(F)F)c1O 840710219 QWRXPNBUNHKNGN-BEAUZRKQSA-N 283.318 3.645 30 20 CHED C=CCCN(C)Cc1cc(Br)cnc1Cl 843403994 BMNDKFYWGWAWTF-UHFFFAOYSA-N 289.604 3.505 30 20 CHED C=C[C@H](C)ONC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 846553400 ACIUPFMWPIQQBF-NUEKZKHPSA-N 273.376 3.583 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1cc(Cl)nc(C2CC2)c1 847678301 NKCLEWDXRQDTNI-LBPRGKRZSA-N 292.766 3.707 30 20 CHED CCCC[C@](C)(F)C(=O)OC[C@@H](C#N)Cc1cccs1 850919362 QDGNMDKVIMQBMG-DOMZBBRYSA-N 297.395 3.892 30 20 CHED C=CC[C@@H]1CCCCC1=NN[C@H](C)c1ccncc1 853358416 AALUFAOHIFIVDL-UKRRQHHQSA-N 257.381 3.855 30 20 CHED C(=NOCc1csc(Cc2ccccc2)n1)C1CC1 853735042 MIFNBSCKPWGXIL-UHFFFAOYSA-N 272.373 3.646 30 20 CHED C=CCCCCCCNC(=O)[C@@H](C)c1nc(C)cs1 854452338 UIWLDSXGIMUREH-CYBMUJFWSA-N 280.437 3.808 30 20 CHED C=CCN(C(=O)/C=C\c1ccc(Cl)nc1)C(C)(C)C 857650935 LQHNLPYJLWTBRR-CLFYSBASSA-N 278.783 3.561 30 20 CHED CCCCCCCNC(=O)CCCC1CCOCC1 862356102 CCQHPXREEWRWKM-UHFFFAOYSA-N 269.429 3.670 30 20 CHED CC(=O)[C@](C#N)(CCN(C)c1ccccc1)c1ccccc1 877935489 RYBGCAFIAYVOLX-LJQANCHMSA-N 292.382 3.563 30 20 CHED C=C1CCC(C(=O)OCc2nc(C)sc2C)CC1 885652481 YHECOUWQPLQFQV-UHFFFAOYSA-N 265.378 3.550 30 20 CHED C=C1CCC(C(=O)Nc2c(F)cc(C(C)=O)cc2F)CC1 889729407 ZYICLTRKFBVORW-UHFFFAOYSA-N 293.313 3.852 30 20 CHED N#C[C@H]1CC[C@H](Nc2cccc(Oc3ccccc3)n2)C1 897922192 PTNWCLFPIHHGPT-KBPBESRZSA-N 279.343 3.978 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1ccc(Cl)cc1F 901317215 HUFRFGZQQAXFNQ-JTQLQIEISA-N 270.735 3.694 30 20 CHED N#Cc1sccc1-c1cccc(C2CCNCC2)c1 904894524 KLSCODNILAYNOV-UHFFFAOYSA-N 268.385 3.754 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2oc(C(=O)O)cc2c1 909570891 DLSHJBBDLUKCNA-UHFFFAOYSA-N 287.315 3.672 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(SC)c(C(=O)O)c1 910947671 JEFLCUJZTDNFPD-UHFFFAOYSA-N 293.388 3.648 30 20 CHED C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccccc1Cl 912352601 NZBFSEPBRPTESI-DOMZBBRYSA-N 294.826 3.543 30 20 CHED CCOc1cccc(/C=N/Cc2cccc(F)c2)c1O 914773803 XVACVQQSXGRXLC-WOJGMQOQSA-N 273.307 3.549 30 20 CHED N#CCOc1cccc(N=Cc2cc(Cl)ccc2O)c1 915983215 UEOQSQSQGNJKQB-UHFFFAOYSA-N 286.718 3.699 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc(N)cc1 916542322 ICPYBJKDCIOBCT-UHFFFAOYSA-N 253.349 3.722 30 20 CHED C=CCOC(=O)CSc1ccc2c3c(cccc13)CC2 916593073 JJNIODWWMUJBLM-UHFFFAOYSA-N 284.380 3.760 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2ccccn2)cc1 917550625 BRPHJHJYIYLXKZ-CQSZACIVSA-N 267.376 3.890 30 20 CHED CCCn1cccc1C=Nn1c(CC)nc2ccccc21 918152297 JWRGPZCSHBPUGV-UHFFFAOYSA-N 280.375 3.692 30 20 CHED FC(F)(F)c1cccc(NN=Cc2cscn2)c1 918708264 XNGKJWIWOQGGPA-UHFFFAOYSA-N 271.267 3.608 30 20 CHED C=C(Br)COC(=O)c1ccc(OC(C)C)cc1 918797913 XBWREIYYUFKFCB-UHFFFAOYSA-N 299.164 3.539 30 20 CHED CCCC[C@@H](CC)C(=O)OCCOc1cccc(C#N)c1 919223419 WUXLUVOQNMEURK-OAHLLOKOSA-N 289.375 3.697 30 20 CHED Cc1nc2cc(N[C@@H](C)CC(C)(C)C#N)ccc2n1C 926099097 PBGUCJPABDZOCC-NSHDSACASA-N 270.380 3.622 30 20 CHED CC(C)c1ccc2cc(C(=O)N3CCC[C@H](C#N)C3)[nH]c2c1 928229507 RLRNYOMLURWJCV-CYBMUJFWSA-N 295.386 3.667 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Cl)cc(Cl)c1O 930117149 HSSLRWVGXACOTL-UHFFFAOYSA-N 288.174 3.737 30 20 CHED C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](C#N)C1 932156315 AUYTUUZFKKSCMS-NEPJUHHUSA-N 280.318 3.585 30 20 CHED C#CCN(CC1CC1)C(=O)CCCc1ccc(Cl)cc1 1116366309 LLRUAOBPQBYXEL-UHFFFAOYSA-N 289.806 3.535 30 20 CHED COC[C@@H](NCCCCC1(C#N)CCC1)c1ccc(C)o1 1119809538 CBPQUZMXCMWXPD-OAHLLOKOSA-N 290.407 3.729 30 20 CHED CCC[C@H](CCc1ccccc1)N=c1cc[nH]cc1C#N 1162604981 DWXZXNNBVQVTHO-QGZVFWFLSA-N 279.387 3.589 30 20 CHED Cc1cc(Oc2ccc(NC(=O)C(C)C)cc2)ncc1C#N 1162792008 JTTLDTQWBOMASA-UHFFFAOYSA-N 295.342 3.649 30 20 CHED COC1(C=NNc2ccc(C(C)(C)C)nn2)CCCCC1 1255675753 LVJXRQSMGAMPMK-UHFFFAOYSA-N 290.411 3.521 30 20 CHED CC[C@@H](NCCCc1nc(C)cs1)c1ccc(C#N)cc1 1256025539 IHYUFCPBFWOUGY-MRXNPFEDSA-N 299.443 3.997 30 20 CHED CCN(Cc1ccccc1F)c1ccc(Cl)c(C#N)n1 1319076345 LDKLRSDZCHWYKM-UHFFFAOYSA-N 289.741 3.772 30 20 CHED CCCOc1ccc(NC(=O)CC#Cc2ccccc2)cc1 1320494199 KTLRDWUZYONKOR-UHFFFAOYSA-N 293.366 3.856 30 20 CHED C=CC(C)(C)C(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 1325166311 WNPAHHGNBYDKAX-SNVBAGLBSA-N 299.823 3.514 30 20 CHED C=C(C)[C@@H](Cc1nnc(-c2ccc(CC)cc2)o1)OCC 1329256058 GMAZKRPMRWFBIK-OAHLLOKOSA-N 286.375 3.823 30 20 CHED Cc1ccc(CSCCOc2ccccc2C#N)cn1 1332974658 DYERVILXMHSWGC-UHFFFAOYSA-N 284.384 3.574 30 20 CHED C=CCC[C@H](Nc1ccnc(COC)n1)c1ccccc1 1336721727 LRJSXZRFFPIVPR-HNNXBMFYSA-N 283.375 3.742 30 20 CHED C=C(C)CCC(=O)NCC[C@H](C)c1ccc(OC)cc1 1336974726 VHLQHNBWVUPSGR-AWEZNQCLSA-N 275.392 3.661 30 20 CHED CN(Cc1ccc(F)c(C#N)c1)Cc1cc2ccccc2[nH]1 1340295731 ZBGZHQZPXGXZAT-UHFFFAOYSA-N 293.345 3.811 30 20 CHED Cc1ccnc(NCc2cccc(Cl)c2F)c1C#N 1342209595 JIMZBHPTCZAQMN-UHFFFAOYSA-N 275.714 3.666 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)C1 1342631371 BOPSQJWFPTUVMK-BDXSIMOUSA-N 297.398 3.881 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H](CC#N)c1ccco1 1345977932 XEQMRXKFOKWVIL-ZMSDIMECSA-N 295.338 3.890 30 20 CHED Cc1oc2ccccc2c1CC(=O)O[C@H]1CC[C@H](C#N)C1 1357639897 UGISZTZWUNSYLT-STQMWFEESA-N 283.327 3.519 30 20 CHED N#Cc1cccc(N(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C2CCC2)c1 1461562356 XSQWQFIEXFOHAK-YEWWUXTCSA-N 294.398 3.880 30 20 CHED N#Cc1cccc(Br)c1NCCc1ccco1 1472639232 MTARPZVRJGATEP-UHFFFAOYSA-N 291.148 3.568 30 20 CHED CC[C@H]1CCC[C@H]1CNC(=O)Nc1cc(F)cc(C#N)c1 1476982912 SUXXGGBJAFFGKX-STQMWFEESA-N 289.354 3.645 30 20 CHED C[C@@H](OC(=O)c1csc(C#N)c1)c1cc(F)cc(F)c1 1517747567 NXWZQNIVVXEIPF-MRVPVSSYSA-N 293.294 3.816 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC)[C@H](C#N)CC 1518551541 UZONBDFDNPAXNO-BHYGNILZSA-N 284.403 3.503 30 20 CHED N#Cc1ccc(C(=O)Nc2c(F)cccc2Cl)s1 1521732320 OUCVWIOERBSIKM-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C[C@@H](OC(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1cccc(C#N)c1 1525572273 RZYNHDZIJIRMAV-IPOQPSJVSA-N 269.344 3.599 30 20 CHED C=C[C@H](CC)CC(=O)OCCC[C@H]1CCCCC1=O 1525784748 ZUSSECFAFFXWOH-ZIAGYGMSSA-N 266.381 3.671 30 20 CHED C[C@H](C(=O)O[C@H](CC#N)c1ccco1)c1cccs1 1526994099 ZPSJPCBYCWWQIT-CMPLNLGQSA-N 275.329 3.643 30 20 CHED C[C@@H]1C[C@@H](CCNC(=O)c2ccc(C#N)cn2)CC(C)(C)C1 1586400016 WXKGKYQJBPWEOZ-ZIAGYGMSSA-N 299.418 3.536 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc(C3CCC3)c2)n1 1595473139 ZKXUEYMZFQRNMO-UHFFFAOYSA-N 291.354 3.782 30 20 CHED N#CC1(CSCc2cc(C(=O)O)ccc2Cl)CC1 1601058194 OVDBVNQDGXFNQV-UHFFFAOYSA-N 281.764 3.575 30 20 CHED C=C1CCC(CNCc2ccc(C(=O)O)c(C)c2)CC1 1602792462 ZBNUCWKOXDRCRK-UHFFFAOYSA-N 273.376 3.529 30 20 CHED C=C(C)COc1cccc(NCCC(C)(C)C(=O)O)c1 1609258041 XCQSHGKNUZSOKG-UHFFFAOYSA-N 277.364 3.554 30 20 CHED CCC(CC)(CC)CNC(=O)Nc1sccc1C#N 1626073863 HITGRCXYWXBYFA-UHFFFAOYSA-N 279.409 3.958 30 20 CHED Cc1cc(NCC2CCC2)n2c(nc3ccccc32)c1C#N 1642045601 YTVSAIHJFWDGKT-UHFFFAOYSA-N 290.370 3.880 30 20 CHED CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1Nc1cccc(F)c1C#N 1650927990 SHXPKMATVCUTNG-LYRGGWFBSA-N 290.382 3.949 30 20 CHED N#Cc1ccc(Sc2nc(Cl)cs2)cc1 1651408429 KPOPZKASDPSIDF-UHFFFAOYSA-N 252.751 3.819 30 20 CHED N#Cc1cccc(OCCN(CC2CCCCC2)C2CC2)c1 1652313695 PIQOEGAGXWADHC-UHFFFAOYSA-N 298.430 3.982 30 20 CHED COc1ccc(CNc2cccc(C#N)c2C)c(F)c1 1657458910 PVAPMGLHTQQIDP-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@H](COCC1CCCCC1)N[C@H]1CCC[C@@H](C#N)C1 1665711517 AICCHAHCNOXWGV-OIISXLGYSA-N 278.440 3.644 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)Nc1cc(F)cc(C#N)c1 1672410215 KIIULYSMYWWGJJ-HBYGRHMLSA-N 289.354 3.644 30 20 CHED O=C(O)c1cccc(NN=C/C=C\c2cccc(F)c2)c1 1776038089 RLYRPFIPCBKMSU-MQPHYCMUSA-N 284.290 3.635 30 20 CHED Cc1c(NN=C2C[C@@H](C)C[C@H](C)C2)cccc1C(=O)O 1776087638 NEGJWSLCRUQGOD-QWRGUYRKSA-N 274.364 3.917 30 20 CHED C=CCCCCN(C)[C@@H](C(=O)O)c1cccc(Cl)c1 1776173702 YCMZXLFYFZPLAR-CQSZACIVSA-N 281.783 3.754 30 20 CHED C=CCCCN(C)c1nc2ccccc2c(C)c1C(=O)O 1776174078 PEVRQIJUIOBQLS-UHFFFAOYSA-N 284.359 3.644 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Sc1ccccc1F 8063188 CJJOLWRWNWFOTD-UHFFFAOYSA-N 274.276 3.757 30 20 CHED Cc1cc(C)c(C#N)c(N(C)[C@@H]2CCC[C@@H](C)C2)n1 25568748 WMNSCLVKPHYIBY-BXUZGUMPSA-N 257.381 3.585 30 20 CHED CSc1ccccc1C(=O)N[C@H](C)c1ccc(C#N)cc1 26113039 RSJKAUMKDCNLRW-GFCCVEGCSA-N 296.395 3.771 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)c2ccccc21 31785327 XJSKIWIBMJBOAL-CYBMUJFWSA-N 276.339 3.712 30 20 CHED CCN(CCOc1ccccc1C#N)c1ccccc1C 34674031 ZHUNUNYXEUCZEX-UHFFFAOYSA-N 280.371 3.772 30 20 CHED N#Cc1c(F)cccc1NCc1ccc(F)c(F)c1 36138581 SWCSWYCFMZUYAS-UHFFFAOYSA-N 262.234 3.588 30 20 CHED Cc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 37230760 KWNNHQLHMVDMEW-OAHLLOKOSA-N 280.371 3.748 30 20 CHED O=C(/C=C/c1ccc(F)cc1F)c1cccc(O)c1 41106836 WHJRBZSVLKGAMH-FNORWQNLSA-N 260.239 3.567 30 20 CHED CC(C)c1ccc(CNC(=O)C2(C#N)CCCC2)cc1 44316534 CKECPZWWUHRTDS-UHFFFAOYSA-N 270.376 3.510 30 20 CHED CCCCN(CCCC)C(=O)CCc1ccc(C#N)cc1 45796382 FFXJIMPGOCCSQE-UHFFFAOYSA-N 286.419 3.920 30 20 CHED CCCc1nc(CN(C)Cc2cccc(C#N)c2)cs1 46856657 YDWJBUHNBMOBNK-UHFFFAOYSA-N 285.416 3.599 30 20 CHED COc1ccc(CNc2cccc(Cl)c2C#N)cc1 48727844 KHWHWWOSDNQQPF-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CC(C)c1cccc(N(C)C(=O)C2(C#N)CCCC2)c1 49036138 DIHGYVNGJKSEOH-UHFFFAOYSA-N 270.376 3.857 30 20 CHED N#Cc1ccc(N[C@H]2CCc3c(Cl)cccc32)nc1 49321788 UGDDNKAKOIGLFP-AWEZNQCLSA-N 269.735 3.706 30 20 CHED Cc1ccsc1CN(C)Cc1ccc(C#N)cc1F 53899199 ZEJTULGIEJOHIM-UHFFFAOYSA-N 274.364 3.699 30 20 CHED N#CCCCOc1cccc(NC(=O)C[C@H]2C=CCC2)c1 55569457 CBQSMLLTTMBVFZ-AWEZNQCLSA-N 284.359 3.664 30 20 CHED C=CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 57566181 YIYOWROYSNBNQR-UHFFFAOYSA-N 296.326 3.736 30 20 CHED CCCOc1cc(/C=C/C(=O)c2cccnc2)ccc1OC 57825068 PFTPFCJCNABNDS-SOFGYWHQSA-N 297.354 3.775 30 20 CHED Cc1ccc(O[C@H](C)C(=O)Nc2cc(C#N)ccc2C)cc1 63960783 RFHZQFWTCANNQD-CQSZACIVSA-N 294.354 3.581 30 20 CHED CCc1c(C)sc(NC(=O)C[C@@H]2C=CCC2)c1C#N 68677829 NVVAYWMCPBNONO-LLVKDONJSA-N 274.389 3.785 30 20 CHED CCN(C(=O)Nc1cc(C#N)ccc1C)[C@H](C)C(C)C 69605637 GTVOIPQMHLCQAL-CYBMUJFWSA-N 273.380 3.765 30 20 CHED N#CC1(C(=O)Oc2ccc(Cl)cc2Cl)CCCC1 70807476 ZYPODZNYAAKWHN-UHFFFAOYSA-N 284.142 3.983 30 20 CHED C=CCSc1nnc(-c2ccccc2)n1Cc1ccco1 72738306 RTZFIRPXNVVNCI-UHFFFAOYSA-N 297.383 3.865 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(Cl)n1 75596081 KPFPZXLYUTVQQG-UHFFFAOYSA-N 272.779 3.923 30 20 CHED C=CCCCN(C)C(=O)CCc1nc2ccccc2s1 76491664 KLPKFNWUVYBQFQ-UHFFFAOYSA-N 288.416 3.654 30 20 CHED CC(C)(C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 77024429 IKHZPNOCEHVQKM-UHFFFAOYSA-N 280.327 3.511 30 20 CHED CC[C@H](C)[C@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 79824862 HQLVUGGAKXMMPT-UXLLHSPISA-N 284.403 3.578 30 20 CHED Cc1ccc(CCNc2cc(Cl)ccc2C#N)cn1 80982019 ZFZVNWXSKCMZED-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=CCCSCC(=O)Nc1ccc(Cl)cc1C 96538478 ZZEJLJSURVBLBJ-UHFFFAOYSA-N 269.797 3.896 30 20 CHED N#Cc1ccccc1COc1cccc(CN2CCCC2)c1 109015218 ZWZODBWCWTZLNH-UHFFFAOYSA-N 292.382 3.733 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc2c(c1)CCO2 113771951 XVZWCQWFTBUELK-DUXPYHPUSA-N 270.353 3.888 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2cc(C)ccc2nc1C 116861433 LGVYJUKQBQYBNX-LBPRGKRZSA-N 268.360 3.546 30 20 CHED C=CCCC(=O)Nc1sccc1C(=O)C(C)(C)C 118627203 CGIOPFBSJGKDNC-UHFFFAOYSA-N 265.378 3.882 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccc(F)cc1OCC#N 120101144 AYDQRAQPHUSMTH-GFCCVEGCSA-N 292.354 3.883 30 20 CHED C#CCCCCC(=O)N(CC(F)(F)F)[C@@H](C)C(C)C 121113559 MQGHPVRNEYZFIC-LBPRGKRZSA-N 277.330 3.615 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccccc1)C(C)(C)C 123572749 IBQGLJNQCGBVTH-JKSUJKDBSA-N 261.409 3.691 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(Nc2ccccc2)n1 123728150 XYDYXOYVXNMOQL-GFCCVEGCSA-N 286.404 3.621 30 20 CHED C=CCn1c(SCC#CC)nnc1-c1ccccc1C 124132491 KNZSIUDPEHUEBG-UHFFFAOYSA-N 283.400 3.555 30 20 CHED CC1(C)C[C@H](/N=C/c2c(O)ccc3ccccc23)CCO1 124147220 XRPGVSICFWJFTG-ONDHQXCVSA-N 283.371 3.922 30 20 CHED CCc1nnc(Nc2cccc(C)c2)c(C#N)c1CC 124891675 JOYNPMZGZGSSAJ-UHFFFAOYSA-N 266.348 3.525 30 20 CHED C[C@@H]1CCCN1c1cc(C#N)ccc1C(F)(F)F 125983280 WMTFUXUFMDAJLF-SECBINFHSA-N 254.255 3.566 30 20 CHED C=CC[C@H](C)N[C@@H]1CCc2c(Br)cccc21 126068445 XUULOFFUOFKNQJ-IINYFYTJSA-N 280.209 3.991 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(C)cccc1Cl 132392566 MRIBYZMEBSUOPB-UHFFFAOYSA-N 252.745 3.688 30 20 CHED Cc1cc(CNc2ncccc2C#N)c2[nH]c(C)c(C)c2c1 143363303 FZHBFALCUIXHIR-UHFFFAOYSA-N 290.370 3.972 30 20 CHED CC[C@H]1CCCCCN1CCC(=O)Nc1ccccc1C#N 150746357 CDJNVDZXXWTINU-INIZCTEOSA-N 299.418 3.541 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(C(C)=O)cc1OC 151138927 LYIZMOSNUSATJE-UHFFFAOYSA-N 288.343 3.572 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@](C)(O)CC)cc1 154605957 ZDULRSMLRMGKRW-CZUORRHYSA-N 297.826 3.630 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)Nc1ccsc1 157407099 JZPPEQGLEQMBHH-UHFFFAOYSA-N 290.319 3.543 30 20 CHED Cc1ccc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 160636450 HGVBJADRPVHMKG-INIZCTEOSA-N 294.398 3.918 30 20 CHED C=C(C)CNC(=O)[C@@H](C)Sc1ccccc1Cl 161135457 BOLQDZATLNABTN-SNVBAGLBSA-N 269.797 3.513 30 20 CHED C=C(Br)CN[C@@H](CC)c1ccc(F)cc1F 167352282 IHEPAKDKDTVRKI-LBPRGKRZSA-N 290.151 3.914 30 20 CHED CC[C@H](C)CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 167410920 XEZWTNXUJPUDHT-VIFPVBQESA-N 284.281 3.952 30 20 CHED CC[C@H](C)c1ccccc1OS(=O)(=O)CCCCC#N 170886628 GAWFBJHOTUNNAM-ZDUSSCGKSA-N 295.404 3.603 30 20 CHED N#Cc1ccc(/C=C/c2ccc(OCC(F)F)cc2)nc1 173017247 XXVSEEQGIPSHHK-ORCRQEGFSA-N 286.281 3.768 30 20 CHED CC[C@@H]1CCCCN1C(=O)c1cccc(SCC#N)c1 175493555 RTHNANKTLOCDEZ-CQSZACIVSA-N 288.416 3.707 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C)[C@H](C)CC#N 177630590 QTKZBYPHKLOXSE-KGLIPLIRSA-N 252.402 3.744 30 20 CHED C#CCCCNC(=O)c1ccc(Cl)c(C(F)(F)F)c1 178559725 HYGSBNUJKUDTRS-UHFFFAOYSA-N 289.684 3.502 30 20 CHED CCCN(CCC)C(=O)Nc1cccc(C#N)c1C 178562718 OFLDGOMJUBCNHQ-UHFFFAOYSA-N 259.353 3.521 30 20 CHED N#CCCCCN[C@H]1CCC[C@@H]1c1ccc(F)cc1 178646930 CVNOZVHSMZVJCI-CVEARBPZSA-N 260.356 3.745 30 20 CHED C=CCC[C@H](NC(=O)c1cc(C2CC2)on1)c1ccccc1 178740833 UIBXOSDXLMTWJI-HNNXBMFYSA-N 296.370 3.989 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1nc2ccccc2s1 179601841 CMFDKMSTNZJLDK-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=C(C)CN(C)C(=O)Nc1ncc(-c2ccccc2)s1 180018371 JAXHNPCOTFOKJS-UHFFFAOYSA-N 287.388 3.850 30 20 CHED C#CCCCCC(=O)Nc1nc(-c2ccco2)cs1 180092818 QSTDODZIBVTUSE-UHFFFAOYSA-N 274.345 3.535 30 20 CHED CCC(CC)[C@@H]1C[C@H](NCc2ccc(C#N)s2)CCO1 180372458 NTMXZZWLHMPKEZ-CJNGLKHVSA-N 292.448 3.693 30 20 CHED C=C(C)CN(C)C(=O)COc1cc(C)ccc1C(C)C 180377089 VAGKZQODMDKBCO-UHFFFAOYSA-N 275.392 3.532 30 20 CHED C=C(C)CN(C)CC(=O)Nc1ccccc1-c1ccccc1 181247703 NKQHXQNELKAGTC-UHFFFAOYSA-N 294.398 3.800 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(C[C@@H](C#N)CCC#N)CC2 182249268 MEBVNWBRWKCJKM-OAHLLOKOSA-N 295.430 3.786 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccnn1-c1ccccc1C 182354907 DCTWDCKWJYTLBE-UHFFFAOYSA-N 298.390 3.611 30 20 CHED Cc1csc([C@H](C)CNc2nc(C)cc(C)c2C#N)n1 182591879 DBENPCQYBSGODS-SNVBAGLBSA-N 286.404 3.551 30 20 CHED C=CCCC(=O)O[C@@H]1CCOc2ccc(CC)cc21 183772577 NCUWQKUNASKNES-OAHLLOKOSA-N 260.333 3.582 30 20 CHED CCc1oc2ccccc2c1C(=O)OCC1(C#N)CCC1 183887920 QKGZFDMVFXRKCQ-UHFFFAOYSA-N 283.327 3.846 30 20 CHED Clc1cccc(C#CCSC[C@@H]2CCCO2)c1 184037800 NMEZFIGYBBWZEE-AWEZNQCLSA-N 266.793 3.604 30 20 CHED CC(C)OCCSCc1ccc(Cl)cc1C#N 184822210 SUBLSPYRYLSVIS-UHFFFAOYSA-N 269.797 3.870 30 20 CHED C=CCCC(=O)Nc1cc(C)cc(Br)c1 187570058 COYNCDYFNUAWOI-UHFFFAOYSA-N 268.154 3.662 30 20 CHED C=CCC1(C(=O)NCc2cc3ccccc3o2)CCC1 188772818 OLBGRTSISHCHDE-UHFFFAOYSA-N 269.344 3.795 30 20 CHED C=CCC1(C(=O)Nc2cn(-c3ccccc3)nc2C)CCC1 190105306 GUXDYTSDHYDGCI-UHFFFAOYSA-N 295.386 3.866 30 20 CHED N#Cc1ccccc1COc1ccc([C@@H]2CCOC2)cc1 190292912 DOEOZGBFCISVGK-QGZVFWFLSA-N 279.339 3.641 30 20 CHED C=CCCCCCN1CCC[C@H](CNC(=O)C(C)(C)C)C1 193346296 DSCNPWLSNNCUGF-MRXNPFEDSA-N 294.483 3.607 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccc3c(c2)CCO3)c1 195620287 QGDVPOARSMDEGC-SOFGYWHQSA-N 294.350 3.916 30 20 CHED Cc1cccc(/C=C2\COc3ccc(F)cc3C2=O)c1 201324732 NAHIPYGRRBBAEO-MDWZMJQESA-N 268.287 3.793 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1cccs1 211714757 JOVCJFICZVYVGL-FPLPWBNLSA-N 259.286 3.552 30 20 CHED N#Cc1ccc(NCCc2ccco2)cc1Br 228180877 DONHTZPWWMXOPS-UHFFFAOYSA-N 291.148 3.568 30 20 CHED CCC[C@H]1CCCCN1Cc1cc(F)ccc1C#N 230649523 NHBFYLZLRPJMRE-INIZCTEOSA-N 260.356 3.852 30 20 CHED C[C@@H](Nc1nccc(C#N)c1Cl)c1ccccc1 235285808 OYWAKZMEDHQGSW-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CCOc1ccc(CNc2ccc(CC#N)cc2)cc1OC 236972828 MHLNWCSDTYTIMW-UHFFFAOYSA-N 296.370 3.772 30 20 CHED COc1ccc(CNCC(C)(C)C)cc1OCCCC#N 237236275 CXUNLNVTCRRVAE-UHFFFAOYSA-N 290.407 3.513 30 20 CHED Cc1cccc(C(C)(C)CNCc2cc(C#N)cs2)c1 237615571 GCVMAVSGZYEGNT-UHFFFAOYSA-N 284.428 3.996 30 20 CHED O=C(/C=C\c1cncs1)c1ccc(F)cc1OC(F)F 255199976 WQVFAKCDNAKJSL-RQOWECAXSA-N 299.273 3.780 30 20 CHED CCc1ccc(C(=O)/C=C\c2cnc3ccc(C)cn23)o1 255917250 CTQSVSMFDBYHDW-ALCCZGGFSA-N 280.327 3.694 30 20 CHED C=CCN(C(=O)CO[C@H]1CCC[C@H](C)C1)c1ccccc1 261426597 BPCDPURQVAYVJP-RDJZCZTQSA-N 287.403 3.801 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(NC(C)=O)cc2)o1 263634155 MAWJVAXTKHBFOY-POHAHGRESA-N 283.327 3.697 30 20 CHED C#CC[C@@H](NCc1sccc1OC)c1ccccc1 270159840 FQLZWZXUGWVABI-CQSZACIVSA-N 271.385 3.611 30 20 CHED C=CCN(C(=O)NCc1ccc(C)cc1SC)C1CC1 271402520 PTEOKPHGCZSYRV-UHFFFAOYSA-N 290.432 3.577 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(C#N)c1 272319884 VRSLCMNENZUUTK-AWEZNQCLSA-N 287.366 3.770 30 20 CHED CC(C)Cn1cc(/C=C/C(=O)c2cc(F)ccc2F)cn1 272769036 SUJXTPYKHPOPHF-ZZXKWVIFSA-N 290.313 3.713 30 20 CHED N#Cc1ccc(SCCC(Cl)(Cl)Cl)nc1 274282536 FBRXCCAJBYKORY-UHFFFAOYSA-N 281.595 3.806 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1OC(F)F 274628847 OGXDWIIEYJWLEO-SRVKXCTJSA-N 280.318 3.631 30 20 CHED CCN(Cc1ccncc1)Cc1ccc(Cl)cc1C#N 274814397 IMYCUDXCQJVYTB-UHFFFAOYSA-N 285.778 3.629 30 20 CHED CC[C@@H](C#N)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 275410212 CGNBVWVQQXNWTE-RDJZCZTQSA-N 299.805 3.911 30 20 CHED CC(C)c1ccc(C(=O)N(C)C[C@H](C)C#N)cc1Cl 276126530 XSDUNRZVFKMLEH-LLVKDONJSA-N 278.783 3.695 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 276842204 CDUUNFKZPZSEBR-MROQNXINSA-N 264.417 3.570 30 20 CHED CCOc1ccccc1[C@H](CC)N[C@@H]1CC[C@H](C#N)C1 281997183 PZNQNWMZHFADHR-LZWOXQAQSA-N 272.392 3.818 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(OC2CCCC2)cc1 285495761 PDYQUJFDTYJXOP-KRWDZBQOSA-N 286.375 3.886 30 20 CHED CC[C@@H](N[C@H](C)c1cnn(CC)c1)c1ccc(C#N)cc1 295896258 IEIOLVZZHDUHPL-CXAGYDPISA-N 282.391 3.577 30 20 CHED CCOc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1OCC 299722591 STASBAHQVJAYTA-KBPBESRZSA-N 290.407 3.827 30 20 CHED N#Cc1ccc(NCCCc2ccc(Cl)cc2)cn1 301542463 VVZWFNLRAMTQJI-UHFFFAOYSA-N 271.751 3.651 30 20 CHED C[C@H](C#N)CNc1ccnc2cc(C(F)(F)F)ccc12 302033319 DAVGINFBUCNBAY-SECBINFHSA-N 279.265 3.825 30 20 CHED N#Cc1ccc(NCC2(CO)CCCC2)c(C(F)(F)F)c1 302236650 GDDYKJJXUIIKFS-UHFFFAOYSA-N 298.308 3.542 30 20 CHED C=CCCCNc1ccccc1CN1C[C@H](C)O[C@H](C)C1 303807860 HXEGUDHHPPPJPD-IYBDPMFKSA-N 288.435 3.674 30 20 CHED Cc1cc(C#N)cc(N[C@H]2CCCC23CCOCC3)c1 308122259 NFGCGUQKPLSMLX-INIZCTEOSA-N 270.376 3.628 30 20 CHED Cc1cc(N[C@H]2CCCc3sccc32)cc(C#N)n1 308278428 NPYJFRXIHUIYAY-AWEZNQCLSA-N 269.373 3.813 30 20 CHED C=C(CC)CN[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 313497647 FGHFZVRFILRTGI-GJZGRUSLSA-N 296.455 3.578 30 20 CHED CSC1(C/N=C(/O)c2coc(C3CCCC3)n2)CCC1 328710146 GBEVAROHNZNWAX-UHFFFAOYSA-N 294.420 3.923 30 20 CHED Cc1ncc(N=C(O)[C@H]2C[C@H]2C2CCCCC2)cn1 329585129 RCHYZQHKIVEIJR-KBPBESRZSA-N 259.353 3.589 30 20 CHED CC1(C/N=C(/O)N[C@H]2CCOC3(CCC3)C2)CCCCC1 329638813 ZAXHVUQSKXOUCR-AWEZNQCLSA-N 294.439 3.562 30 20 CHED Cc1cc([C@H](C)/N=C(/O)c2csc(O)n2)c(C)s1 329908469 LTGASRMHRYPHKC-ZETCQYMHSA-N 282.390 3.593 30 20 CHED CSc1ccc(/C(O)=N/C2(C)CCCC2)cc1[N+](=O)[O-] 330578279 PXTGILVIGKUQNB-UHFFFAOYSA-N 294.376 3.954 30 20 CHED Cc1cc(C)c(CC(=O)N[C@](C)(C#N)CC(C)C)c(C)c1 330663666 VKEPWLNWCIBSMV-SFHVURJKSA-N 286.419 3.599 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 331092931 JHRKKAVKQSLYFZ-SJORKVTESA-N 284.403 3.551 30 20 CHED Cc1nc2cc(Cl)c(N/C(O)=N/C(C)C)cc2s1 331230986 HSKUYSQYLRGHSF-UHFFFAOYSA-N 283.784 3.992 30 20 CHED N#Cc1ccc(SCc2cncc(F)c2)c(F)c1 334494226 BQZUPUNJIUWGNF-UHFFFAOYSA-N 262.284 3.524 30 20 CHED N#Cc1ccnc(N2CC3(CCC3)[C@H]2c2ccco2)c1Cl 334623414 UYGFRDLPNAVDAG-CQSZACIVSA-N 299.761 3.931 30 20 CHED CN(C(=O)Nc1cccc(CC#N)c1)[C@@H]1CCC(C)(C)C1 334725662 DBLLBOQBJWIFAV-OAHLLOKOSA-N 285.391 3.795 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@]1(C#N)C[C@H]1C 336209323 KAUDFDCDNSIMLB-NOZJJQNGSA-N 282.265 3.502 30 20 CHED C=CCSc1ccccc1C(=O)NCCCSCC 337155120 NMNJQTYHTUKDEQ-UHFFFAOYSA-N 295.473 3.838 30 20 CHED CC(=O)c1c(C)cccc1NC(=O)c1cccc(C#N)c1C 337981659 UOEPSCHNSOHEEH-UHFFFAOYSA-N 292.338 3.630 30 20 CHED Cc1cc(NCCCC#N)c([N+](=O)[O-])cc1C(F)(F)F 338687379 IQQJKMLNFLUHGJ-UHFFFAOYSA-N 287.241 3.638 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2F)c(C(F)(F)F)c1 339589707 JFSBOGYTANJOFD-QWHCGFSZSA-N 286.272 3.557 30 20 CHED Cc1ccccc1C[C@H](C)Nc1snc(C)c1C#N 341761807 STWZSECGJGGULV-NSHDSACASA-N 271.389 3.675 30 20 CHED N#Cc1c(F)cccc1NCc1cccc(-c2ncc[nH]2)c1 341938362 USHNVZYQFXTNAB-UHFFFAOYSA-N 292.317 3.700 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(-n2ccnc2)cc1 343502887 KYFLZDHVTUBOQX-HOCLYGCPSA-N 269.392 3.878 30 20 CHED CO[C@]1(C)C[C@H](Nc2ncc(Cl)c(C)c2C#N)C1(C)C 343519253 ZIRGZPGCHKRDRG-SWLSCSKDSA-N 293.798 3.531 30 20 CHED C=CC[C@H]1N(C(=O)CC(F)(F)F)CCCC1(C)C 347425304 HRPHTRWDGREQBL-SNVBAGLBSA-N 263.303 3.532 30 20 CHED C=CCSc1ccccc1C(=O)NCC1(C(F)F)CC1 348773165 WUMXZBMZUAQBJX-UHFFFAOYSA-N 297.370 3.740 30 20 CHED C=CCN(Cc1cccs1)Cc1nccn1C(F)F 349542996 OWSLXPRXCXZHSJ-UHFFFAOYSA-N 283.347 3.528 30 20 CHED C=CCCOCCCCc1nc(-c2ccc(C)o2)no1 350793960 LYVLRRGHTULOJJ-UHFFFAOYSA-N 276.336 3.553 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@@H](C#N)C1)CCC2 352613147 UWONRWXSHWZHIL-FRFSOERESA-N 254.377 3.654 30 20 CHED CSCc1ccc(CNCc2ccc(C#N)s2)cc1 353099715 KHQKAGNMJJJUPW-UHFFFAOYSA-N 288.441 3.773 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(Oc2ccccn2)c1 353381879 ARQWDIKPSNOETM-QGZVFWFLSA-N 295.342 3.752 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(C2CC2)ccn1 353925405 YMBBGCPDVWZTTG-GFCCVEGCSA-N 273.380 3.825 30 20 CHED CC[C@@]1(C)CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 356434900 YCEAFDSUPCPXSQ-AEFFLSMTSA-N 284.403 3.723 30 20 CHED C[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1(C)C 356787483 CQOCNGYZKONLOI-NVXWUHKLSA-N 298.430 3.969 30 20 CHED COc1ccc(/C=C/c2ccc(C#N)cn2)c(Cl)c1 357771352 KSRAJGIFTZXBOJ-ZZXKWVIFSA-N 270.719 3.786 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)CC(C)(C)C#N 359754021 VTHCVCZMJLAOTO-JTQLQIEISA-N 252.308 3.507 30 20 CHED CCN(Cc1ccc(Cl)cc1C#N)CC(F)(F)F 359857807 PDHHKZYAXUYJEM-UHFFFAOYSA-N 276.689 3.596 30 20 CHED CCCCN(C)CCN[C@H]1CCCCc2cc(C#N)ccc21 360823392 VMRMRXBFCQWNGU-IBGZPJMESA-N 299.462 3.647 30 20 CHED C=CCCCC(=O)N1CC[C@](C)(c2ccccc2)C1 364050478 JMPRDUWSOGVOAC-KRWDZBQOSA-N 257.377 3.533 30 20 CHED CC(C)n1ncc2c1[C@H](Nc1ccc(C#N)cc1F)CCC2 376368371 NHTVJDZCIYBLQX-MRXNPFEDSA-N 298.365 3.964 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC2(CC2)c2ccccc21 377042491 JUEJCXQMBSCXLX-UHFFFAOYSA-N 297.402 3.578 30 20 CHED C=CC(C)(C)CNCc1ccc(Br)s1 385031195 KUPXHJXVFRESLO-UHFFFAOYSA-N 274.227 3.812 30 20 CHED Cc1ccc(C#N)cc1OCc1ccn(-c2ccccc2)n1 389765533 RAUPRPFBZCDMBI-UHFFFAOYSA-N 289.338 3.631 30 20 CHED CC(C)(C)[C@H]1CCN(Cc2ccc(CC#N)cc2)C1 399012277 YVIDGLMQGLOQAX-INIZCTEOSA-N 256.393 3.621 30 20 CHED Cc1ccccc1CN(C)Cc1ccc(CC#N)cc1 399132360 YBDHHYBGWKIPGA-UHFFFAOYSA-N 264.372 3.693 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cccc2ccccc12 410147573 MAIMTRAMKYHAHT-INIZCTEOSA-N 267.372 3.853 30 20 CHED CCN(CCC#N)C(=O)c1ccc(C)c2ccccc12 412176170 KDPNGBYQFHLUJS-UHFFFAOYSA-N 266.344 3.524 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)CC(F)F 412845761 VYSMRYTWPGTCOG-OCCSQVGLSA-N 281.346 3.581 30 20 CHED CC(C)(CC#N)CNc1cccc(Br)c1C#N 413402143 FUWAXDPITUACAT-UHFFFAOYSA-N 292.180 3.673 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCCC1(O)CCC1 420629844 GUILAOSJVWUNOV-UHFFFAOYSA-N 298.308 3.684 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2c(C)cc(C)cc2C1 424767864 HABWJEIWPGFGQA-UHFFFAOYSA-N 271.404 3.790 30 20 CHED N#Cc1ccc(/C=C\c2coc(-c3ccccc3)n2)nc1 425927904 ZIIPJZMDBRZCTN-HJWRWDBZSA-N 273.295 3.779 30 20 CHED C=CC[C@H](C(=O)NC[C@@H](C)C(F)(F)F)c1ccccc1 427816622 CGLQUPFHSZRLDB-YPMHNXCESA-N 285.309 3.661 30 20 CHED CC(C)[C@@H](NCC1(CC#N)CC1)c1cc(F)ccc1F 430745775 ZWUKKQWGWSTIRC-OAHLLOKOSA-N 278.346 3.945 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](CC)CC(F)(F)F 432349215 WQQSRWYWEXUKHS-JTQLQIEISA-N 280.334 3.619 30 20 CHED C[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)CC1 437120869 CBOUXSGZNDXKKO-LBPRGKRZSA-N 294.345 3.782 30 20 CHED N#Cc1csc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c1 437569276 OZLSLRQPKLVOAI-HUUCEWRRSA-N 296.395 3.686 30 20 CHED CC1(C)CCc2ccccc2[C@H](NC(=O)NCCCC#N)C1 441022152 BSNQQBIFUORART-MRXNPFEDSA-N 299.418 3.693 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccnc1-c1ccc(C)s1 446574626 FMZKPANKLYEFEJ-JTQLQIEISA-N 287.388 3.815 30 20 CHED CC(C)c1nc2ccc(NC(=O)[C@]3(C#N)C[C@@H]3C)cc2s1 448814429 VSHQHQYALHXIDO-QFYYESIMSA-N 299.399 3.908 30 20 CHED CC(C)CC(CC(C)C)C(=O)NCCCCC#N 448910277 MPEMXACCQZANCA-UHFFFAOYSA-N 252.402 3.505 30 20 CHED CN(CCCNC1CCC(C)(C#N)CC1)c1ccccc1 449063557 MVNYOAAQYCYOTP-UHFFFAOYSA-N 285.435 3.575 30 20 CHED C=CCC1(C(=O)N2CCCC3(CC3)C2)CCCCC1 450715611 WWZSHFILPNHFFA-UHFFFAOYSA-N 261.409 3.916 30 20 CHED N#Cc1ccc(NC[C@@H]2CCOC3(CCC3)C2)cc1Cl 450721161 VOZRUFYEDCNTHX-GFCCVEGCSA-N 290.794 3.973 30 20 CHED C=CCC1(C(=O)N2CCC[C@@](C)(OC)CC2)CCCCC1 451358697 JQQAVZYJDURLAE-QGZVFWFLSA-N 293.451 3.931 30 20 CHED CC(C)[C@H](NCCCCC(C)(C)C#N)[C@H](CO)C(C)C 451593865 IIGFAHJVOOEJNF-CVEARBPZSA-N 282.472 3.585 30 20 CHED CC1=C(C(=O)NCC(C)(C)CCC#N)CCC(C)(C)C1 451778838 UBWXCULIUNORRP-UHFFFAOYSA-N 276.424 3.959 30 20 CHED C=CCC1(C(=O)N2CCCO[C@@H](C(C)C)C2)CCCCC1 452167033 VJQIZYBUPFSIMP-MRXNPFEDSA-N 293.451 3.787 30 20 CHED CC(C)(CNC(=O)C1(c2cccc(C#N)c2)CC1)C1CCC1 452784354 KQTBJDWPOZMILT-UHFFFAOYSA-N 296.414 3.532 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](CC)c1cc(F)ccc1F 453353143 MQXZVFZMILLBKB-XHSDSOJGSA-N 281.346 3.739 30 20 CHED C[C@H]1CCC[C@H](NC(=O)Nc2cccc(CC#N)c2)CC1 455902746 HLDUQAOFMZGJDA-ZFWWWQNUSA-N 285.391 3.843 30 20 CHED CCC1(NC(=O)CCc2ccc(C#N)cc2)CCCCC1 456216324 LJGAEJMXRGGWNP-UHFFFAOYSA-N 284.403 3.720 30 20 CHED C=CCC1(CNC(=O)c2c(F)ccc(F)c2F)CCCC1 456485456 LQNTWVOBYRMMQX-UHFFFAOYSA-N 297.320 3.970 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1cccc(CC#N)c1 456723398 DVBALDWEXJQDEA-ZDUSSCGKSA-N 270.376 3.908 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(C(C)(C)C)s1 457989398 FNHFLFUCWFCKQY-UHFFFAOYSA-N 278.421 3.715 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cnc(C2CC2)nc1 459533305 STHWFRFZZAELFK-UHFFFAOYSA-N 293.414 3.932 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCc2sc(Cl)cc21 462048865 VOZXVSFYRZCILA-LLVKDONJSA-N 296.823 3.772 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CC)c1ccc(Cl)s1 464752464 AWNGAUPGVXSVNP-BDAKNGLRSA-N 272.801 3.726 30 20 CHED C=CCCN(C)C(=O)C[C@@H](c1ccccc1)C(C)C 466648274 SCZFRENJNKYCSE-MRXNPFEDSA-N 259.393 3.851 30 20 CHED CC1(C)C(C(=O)N[C@@](C)(C#N)CCc2ccccc2)C1(C)C 469252036 WSZDHKKNQZGWEF-LJQANCHMSA-N 298.430 3.700 30 20 CHED C=CCOCCCN1[C@@H](C)c2ccc(OC)cc2C[C@H]1C 470790781 XFSHSWQYXIBGRD-CABCVRRESA-N 289.419 3.596 30 20 CHED C=C(C)CS[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 477012604 PYYBSTNRMAOUDV-AAVRWANBSA-N 269.454 3.625 30 20 CHED C=CCOc1ccc(CNC[C@H](C)C(F)(F)F)cc1 479607623 UQQMTGBULFRUPZ-NSHDSACASA-N 273.298 3.539 30 20 CHED C=C[C@H](C)NCc1ccc(-c2cccc(F)c2F)o1 480308341 HJGADIRYKRTOOX-JTQLQIEISA-N 263.287 3.889 30 20 CHED CC#CCCNC(=O)N1CCCCC[C@H]1c1ccccc1 483422228 WKYUPSKWFQDXHK-KRWDZBQOSA-N 284.403 3.727 30 20 CHED C=CCN(CC1CCCCC1)C[C@H]1CCCCO1 484538149 ASKWMJAGIGYVBG-MRXNPFEDSA-N 251.414 3.624 30 20 CHED C=CCCCCCS[C@H](Cc1ccccc1)C(N)=O 485599870 JXXDIRILLVFCSM-OAHLLOKOSA-N 277.433 3.563 30 20 CHED N#CCn1c(/C=C\c2ccccc2F)nc2ccccc21 486072788 FQDYUXDKWJBLFP-KTKRTIGZSA-N 277.302 3.869 30 20 CHED C[C@@H](CCCC(F)(F)F)NCc1ccc(C#N)s1 494836702 KAGMSRBAKBSGCA-VIFPVBQESA-N 276.327 3.830 30 20 CHED COC(=O)Nc1cccc(NCc2ccc(C#N)c(C)c2)c1 495914313 ZDQBQWQGIPJFEF-UHFFFAOYSA-N 295.342 3.657 30 20 CHED C=CCC(C)(C)C(=O)NCC1(CCOC)CCCCC1 501316344 YEGISCJXZIYJFG-UHFFFAOYSA-N 281.440 3.692 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1N(C)C 507223137 YFGDCXPEOKAQAV-OAHLLOKOSA-N 293.414 3.817 30 20 CHED C=C[C@H]1CCCCN1Cc1cnc(-c2ccccc2)nc1 515544848 VVDYZQLMVRMRTD-KRWDZBQOSA-N 279.387 3.684 30 20 CHED N#Cc1cccc(CN(CCc2cccc(F)c2)C2CC2)c1 523670430 MYXHOPCVODMMAQ-UHFFFAOYSA-N 294.373 3.904 30 20 CHED CC(C)Oc1ccc(N[C@H](C)c2cccc(C#N)c2)cn1 527485172 HSOWRRXSXNUHNK-CYBMUJFWSA-N 281.359 3.914 30 20 CHED N#Cc1ccc(-c2ccc(CN3CCCC3)cc2)cc1 527588283 PYJKRZZVYYDJMC-UHFFFAOYSA-N 262.356 3.821 30 20 CHED CCC(C#N)(CC)c1nc(-c2cc(F)ccc2C)no1 528099093 KRQKITKAPPQIJZ-UHFFFAOYSA-N 273.311 3.766 30 20 CHED N#Cc1cccc(N2CCCC[C@@H]2Cc2ccc(F)cc2)n1 535130354 TYBRQNVWPVIKKK-QGZVFWFLSA-N 295.361 3.694 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1cnn(C(C)C)c1 537186066 FWORBBJWVYGSPG-KGLIPLIRSA-N 292.427 3.569 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCc1ccccc1C 538287242 WLYUDYWFGNCZLF-OAHLLOKOSA-N 274.408 3.582 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccccc1C(C)(C)C 539297848 TYNXYXGGPBRINV-HUUCEWRRSA-N 275.436 3.819 30 20 CHED CC#CCNC(=O)c1ccc(C)cc1Sc1ccccc1 541456010 YNPDNTHSDALJQL-UHFFFAOYSA-N 295.407 3.899 30 20 CHED Cc1cccc(CN(C)C(=O)c2ccc(Cl)c(C#N)c2)c1 541584645 NCZSFFFXEDWKPT-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@@H]2CCCC[C@@H]12 543901859 IKHCNGUECZHWTP-FHLIZLRMSA-N 271.379 3.688 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1c(Cl)cccc1OC 545352580 CWQMAIGDXXMDED-LLVKDONJSA-N 296.798 3.503 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC1(C)C 547948189 WNUTUWNCLHWLPV-UHFFFAOYSA-N 261.390 3.589 30 20 CHED C[C@@H]1[C@@H](C(F)(F)F)CCCN1CCC(C)(C)C#N 548496964 YYCAUKAVFXCMCN-MNOVXSKESA-N 262.319 3.589 30 20 CHED C=CCCCc1nc(Cc2cc3ccccc3o2)no1 551183080 XNSNIHTXTCXQAR-UHFFFAOYSA-N 268.316 3.915 30 20 CHED C=CCCCC[C@@H](C)NCc1cn2cc(C)ccc2n1 551237385 PKJSIYUQHFCKGE-OAHLLOKOSA-N 271.408 3.867 30 20 CHED C=C(CC)CN[C@@H]1c2ccccc2CC12CCOCC2 558487474 AVUOEZZZYSQLOT-QGZVFWFLSA-N 271.404 3.636 30 20 CHED CC(C)CN1CCC(Nc2cccc(Cl)c2C#N)CC1 559074435 CNJNIBSFWWTKMD-UHFFFAOYSA-N 291.826 3.744 30 20 CHED N#Cc1cc(N2C[C@H](c3ccccc3)c3ccccc32)ncn1 559815707 XHOVLEDCDSRQCF-QGZVFWFLSA-N 298.349 3.632 30 20 CHED N#Cc1ccc(OCc2nnc(C3CC3)s2)cc1Cl 562541866 LXNYJTFDNVSWTL-UHFFFAOYSA-N 291.763 3.520 30 20 CHED C=CCOc1cccc(CN2CCCC(C)(C)[C@H]2C#N)c1 567013502 ILMOVUWIIQRIPJ-QGZVFWFLSA-N 284.403 3.766 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc2c(c1)CCC=C2 572075035 FAXBFFYLOVCWTO-GOSISDBHSA-N 282.387 3.704 30 20 CHED Cc1ccccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 576731064 CXQWCODHARKDDQ-KRWDZBQOSA-N 270.376 3.587 30 20 CHED C=CC(C)(C)C(=O)Nc1nc(C)c(C(F)(F)F)s1 580819735 MFKHZROCGJZSCI-UHFFFAOYSA-N 278.299 3.621 30 20 CHED N#CCCC1CCN(C(=O)NCCC2=CCCCC2)CC1 584407258 FIMXXMMHICHHPL-UHFFFAOYSA-N 289.423 3.602 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)CCCCCC#N)C1 588158728 CYYRCLZVJBPZJV-KGLIPLIRSA-N 250.386 3.545 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc2c(c1)CCO2 588488981 BWXWJTDBUYXAQH-RQOWECAXSA-N 286.352 3.588 30 20 CHED CCOc1cccc(/C=N\CC2(OC)CCCCC2)c1O 588506993 SGBXILDUUWHIGV-PDGQHHTCSA-N 291.391 3.559 30 20 CHED N#CCCCCCC(=O)N1CCCc2cc(F)c(F)cc21 588866571 XNKFCMMLHOFKJF-UHFFFAOYSA-N 292.329 3.718 30 20 CHED Cc1ccccc1OCCN[C@H]1CCc2ccc(C#N)cc21 589337220 UOKAMWPLXWBOBD-SFHVURJKSA-N 292.382 3.523 30 20 CHED N#Cc1ccc(N2CCC(C3CCCC3)CC2)cc1[N+](=O)[O-] 589580466 OXYPUEAWTKHHCT-UHFFFAOYSA-N 299.374 3.873 30 20 CHED CCC1(C)CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 589992174 NPLQSNMVSXCYCW-UHFFFAOYSA-N 297.185 3.737 30 20 CHED CCCn1ccc2cc(NC(=O)[C@H](C#N)CC)ccc21 593443804 TXSYVAYSSKMDRD-LBPRGKRZSA-N 269.348 3.540 30 20 CHED CC[C@@H](C#N)C(=O)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 593606427 FOLGMLGARBKPOM-SJORKVTESA-N 298.430 3.751 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H](C)c1ccco1 593958553 KGBILESSKZFHNZ-ZIAGYGMSSA-N 296.370 3.549 30 20 CHED CCCCC1CCC(C(=O)N(C)[C@H](C#N)CC)CC1 594100994 PGFDAADWMLFEJT-NRXISQOPSA-N 264.413 3.744 30 20 CHED COc1ccc([C@@H](C)CSc2ccc(C#N)cn2)cc1 594890207 PCBCGXVENANAKF-LBPRGKRZSA-N 284.384 3.858 30 20 CHED C=CCOc1cccc(CNCCC2(CSC)CC2)c1 594962220 CYYOSWYTUMAZBD-UHFFFAOYSA-N 291.460 3.874 30 20 CHED Cc1ccc(C#N)nc1N1CCC[C@H](c2ccccc2)C1 596240057 QCHJQXZYNCCYTM-INIZCTEOSA-N 277.371 3.646 30 20 CHED Cc1c(Cl)c(C(F)(F)F)nn1CC1(C#N)CCC1 596282120 BWYJMCVYHRKAFM-UHFFFAOYSA-N 277.677 3.558 30 20 CHED C[C@H]1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 596742671 WRHUPWTXXZSRRJ-KBPBESRZSA-N 262.397 3.545 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CC1(C#N)CCCCC1 596995775 OGSASIGOFACUGK-UHFFFAOYSA-N 281.359 3.669 30 20 CHED Cc1c(C(=O)N[C@@]23CCC[C@@H]2C3)sc2ccc(C#N)cc12 597889304 LSFSMPQAVLHKPN-SJKOYZFVSA-N 296.395 3.754 30 20 CHED Cc1[nH]c2ccc(C(=O)N3CCC[C@H](CC#N)C3)cc2c1C 597918489 POKAQTFJLQAGSQ-CQSZACIVSA-N 295.386 3.551 30 20 CHED CCCC[C@H](C(=O)NCC(C)(C)CC#N)C(C)C 598739757 LPZMSTDDBFVIIJ-ZDUSSCGKSA-N 252.402 3.505 30 20 CHED CCCC[C@H](C(=O)N(C1CC1)C1(C#N)CCC1)C(C)C 598832529 BTTHHPJKDSBESX-HNNXBMFYSA-N 276.424 3.886 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 599059174 OLNVCGWXNSTAJH-SNPRPXQTSA-N 290.357 3.836 30 20 CHED C[C@@H](CCC#N)CN(Cc1ccccc1)C[C@@H]1CCCO1 602450838 ZDPMRBLKADYYKD-WMZOPIPTSA-N 286.419 3.607 30 20 CHED CC(C)COc1ccc(CCNC[C@H](C)CCC#N)cc1 602567047 TWSBBXFVMJFFTD-MRXNPFEDSA-N 288.435 3.793 30 20 CHED C/C(=C\c1ccccc1)CN(C)C[C@@H](C)CCC#N 602632008 BLHYNDVHJMKRPE-DLEKYWELSA-N 256.393 3.962 30 20 CHED C[C@@H](CCC#N)CN1CCC(CC(F)(F)F)CC1 602650261 DPSWBPWYCZTRRG-NSHDSACASA-N 262.319 3.591 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc2cc(F)ccc2s1 608820890 KGIMIGJYXZIOAN-LBPRGKRZSA-N 290.363 3.708 30 20 CHED N#Cc1ccc2nc(-c3cscc3Cl)[nH]c2c1 611145802 KLUVOWZLOOOTFD-UHFFFAOYSA-N 259.721 3.816 30 20 CHED N#Cc1csc(CN2CCCO[C@H](c3ccccc3)C2)c1 611268328 YVLDTBUPGARAPW-KRWDZBQOSA-N 298.411 3.583 30 20 CHED CC[C@H](C)CCCCC(=O)N(CC#N)C1CCCC1 612043713 ADDNKBNKTFUIMV-AWEZNQCLSA-N 264.413 3.888 30 20 CHED N#CCc1ccc(CN2Cc3ccccc3C(F)(F)C2)cc1 612102757 CGEQOYFKZJDNMG-UHFFFAOYSA-N 298.336 3.860 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@](C)(C#N)C1 612165179 LACGUTIKZBJHNN-BBRMVZONSA-N 287.363 3.590 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)C2(Cc3ccccc3)CCC2)C1 612364726 NYYDNQRQZITCOJ-SFHVURJKSA-N 296.414 3.552 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2cccc3ccsc23)C1 613401016 LPUYEISXSDZDMW-INIZCTEOSA-N 284.384 3.667 30 20 CHED CCCN(c1nc(C(C)(C)C)ccc1C#N)C1CC1 613429143 MJZVDGGHBMAVOP-UHFFFAOYSA-N 257.381 3.630 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCO[C@@H](C3CC3)C2)n1 613430514 RHRZCMLHYSYFNE-LSDHHAIUSA-N 299.418 3.620 30 20 CHED C=CCCNC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 617616407 WDSXSTBMNZDLRZ-AWEZNQCLSA-N 274.408 3.757 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(F)ccc1F 618742206 KXTMTYPHYUIGGT-QGZVFWFLSA-N 284.309 3.614 30 20 CHED C=C[C@H](CC(=O)N[C@@]1(C)CC1(C)C)c1ccccc1 620077061 BXJXYJBETUHEMX-DYVFJYSZSA-N 257.377 3.651 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](OC)c1ccccc1Cl 644678094 ZLOHKCVLAAJXKO-CQSZACIVSA-N 295.810 3.746 30 20 CHED Cc1cc([C@@H](C#N)C(=O)c2cccc(C(C)C)c2)nc(C)n1 659024748 IYHFROBQCLSLLU-MRXNPFEDSA-N 293.370 3.707 30 20 CHED C=C1CCN(C(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 668303909 XZVVPQPNHGXRCO-QZTJIDSGSA-N 283.415 3.824 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)CCC(C)C 669809807 SKDXBHBJSUGTRE-UHFFFAOYSA-N 276.428 3.604 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCn1cnc2ccccc21 678894328 AXQYJQKKWIBHHD-OAHLLOKOSA-N 299.418 3.678 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](CCC)c1ccccn1 684894147 HBHQGVOTOGDZEW-ZFWWWQNUSA-N 275.396 3.577 30 20 CHED CC[C@H](C)CC(=O)Nc1ccc(Br)c(C#N)c1 690186812 SNURTYWADQCTKG-VIFPVBQESA-N 295.180 3.695 30 20 CHED COc1cc(F)cc(N[C@@H](C)CC(C)(C)C#N)c1 709984636 ZBCTZDRHCUDMCJ-JTQLQIEISA-N 250.317 3.575 30 20 CHED C=CCN(C(=O)N[C@@H](CC)C1CCCCC1)C(C)C 726270014 WVZPREFUIFLFPH-HNNXBMFYSA-N 266.429 3.951 30 20 CHED C[C@H](CC(=O)OCCCCC#N)c1ccccc1F 726844004 PKZDDLNOVBOBCC-GFCCVEGCSA-N 263.312 3.556 30 20 CHED Cc1cc(C)cc(C=NNc2cnc3ccccc3n2)c1 727255412 BPFQRQWIBQYGNJ-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C#Cc1cccc(N(C)C(=O)CCCCCCC)c1 728482429 MWIHBEVKLOFNGJ-UHFFFAOYSA-N 257.377 3.991 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@H](C)C1CC1 729433814 RSYXOKXSHSLPRG-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED Cc1ccc(/C=C2/Oc3cc(O)cc(C)c3C2=O)cc1F 731490441 WZRQLCRKWAEPBS-VIZOYTHASA-N 284.286 3.764 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC[C@@H]2c2ccccc2)nc1 732528004 CJDLLQFVMFKVSO-CQSZACIVSA-N 296.330 3.725 30 20 CHED Cc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1F 737446516 UVHCMJVRLJEZNF-SNAWJCMRSA-N 259.255 3.564 30 20 CHED C#CCCOC(=O)C(C)(C)c1ccc2ccccc2c1 744049588 ULNSGYJTXTZUHQ-UHFFFAOYSA-N 266.340 3.684 30 20 CHED C=C(C)CCOC(=O)c1ccc(F)cc1Br 744306230 DAPAEISPZHWWKV-UHFFFAOYSA-N 287.128 3.711 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)O[C@@H](C#N)C2CC2)cc1 747788431 NQNKNNXUICZPBN-BCTQVIJGSA-N 283.371 3.843 30 20 CHED Oc1ccccc1C=Nc1ccc(OCC(F)F)cc1 748284259 AJNNJJKIEZSDKQ-UHFFFAOYSA-N 277.270 3.787 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)s1 749615175 KURCUPQAPCWEPI-DYLGSBMWSA-N 296.823 3.859 30 20 CHED CC(C)CON=Cc1cccc(-c2cccnc2)c1 749625864 JAEHQQKEMHRNCG-UHFFFAOYSA-N 254.333 3.755 30 20 CHED Cc1cc(F)ccc1NN=Cc1csc(C2CC2)n1 750938738 NHUYDNZXZNZHTO-UHFFFAOYSA-N 275.352 3.914 30 20 CHED O=C(/C=C\c1ccccc1F)c1cc([N+](=O)[O-])ccc1F 752875732 UBSIVSXLLNTLEI-YVMONPNESA-N 289.237 3.769 30 20 CHED C#CCOc1ccccc1CNc1ccc2scnc2c1 752971752 FIUVRPRYYLTTDL-UHFFFAOYSA-N 294.379 3.920 30 20 CHED C[C@H]1C[C@H](Nc2snc(Cl)c2C#N)CC[C@H]1C 754115913 XJIZMMZSXZOBRS-HRDYMLBCSA-N 269.801 3.905 30 20 CHED CCCCCCCC(=O)Nc1cc(-c2cccnc2)[nH]n1 755264941 TZDUTNAKWMIDNB-UHFFFAOYSA-N 286.379 3.771 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2cc(F)cc(F)c2)c1C 755592140 XBAQLUZNNZEJGS-WAYWQWQTSA-N 290.313 3.694 30 20 CHED CSCCC=NNc1ccc(C(F)(F)F)cc1 755805058 QJDCOOCHRPYPDL-UHFFFAOYSA-N 262.300 3.856 30 20 CHED C[C@H](C=NNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 756873003 NEMNUZIXMBNPNR-LLVKDONJSA-N 287.294 3.935 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(F)cc(Cl)c2)c1 756930472 QSHHRWHBYXLIER-UHFFFAOYSA-N 287.721 3.737 30 20 CHED Clc1oc2ccccc2c1C=NNC1CCCC1 761259969 YZNPZWGLZPSNKV-UHFFFAOYSA-N 262.740 3.952 30 20 CHED C#CCCCNc1ccc2cccc(Br)c2n1 761908033 LRBBBIFSWFMLJX-UHFFFAOYSA-N 289.176 3.823 30 20 CHED C=C(C)CCOC(=O)Cc1cccc(OCCC)c1 763016904 VQHZLOGBPMMQMU-UHFFFAOYSA-N 262.349 3.527 30 20 CHED COc1ccc(C=NNCc2ccc(Cl)cc2)s1 764716965 BPWBYPAKCFYYMP-UHFFFAOYSA-N 280.780 3.534 30 20 CHED C#CC[C@@H](Nc1ncc(Cl)s1)c1ccccc1 765055607 MAXAVUQPBDTMOI-LLVKDONJSA-N 262.765 3.973 30 20 CHED C#CCCCn1nccc1-c1ccc(F)c(Cl)c1 766751516 SFCRVAXZYIDIHH-UHFFFAOYSA-N 262.715 3.756 30 20 CHED C/C=C(/C=C\C(=O)OCc1ccc(C#N)cc1OC)CC 766906572 RLYVQJYBDKUNLN-YPVRFXKISA-N 285.343 3.523 30 20 CHED Cc1cc(Cl)ccc1COC(=O)C1(C#N)CC(C)C1 769112084 AADCSPRNJWSLPW-UHFFFAOYSA-N 277.751 3.632 30 20 CHED C[C@@H](C=NN1CCCC1=O)Cc1ccc(C(C)(C)C)cc1 769590990 ZXAORCOYWYRWKX-CQSZACIVSA-N 286.419 3.771 30 20 CHED C#Cc1cccc(N(C)CCCCC(C)(C)C#N)c1 769733707 RTSFZDNCIYAOIC-UHFFFAOYSA-N 254.377 3.824 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C1\CC[C@H](C)C1 770334503 RYSSRHIYDIPWBQ-GJSJWPQCSA-N 254.333 3.552 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(F)c(C#N)c1 770572674 QYUMKQHYRDXTFX-HWKANZROSA-N 271.316 3.963 30 20 CHED C=CCCCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 771142715 WBXXGYHFVNNWKF-UHFFFAOYSA-N 297.742 3.726 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2cc(F)cc(F)c2)c1 774135417 KCNNCYDUWOQSFY-PLNGDYQASA-N 288.249 3.559 30 20 CHED O=C1C/C(=C/c2cc(F)cc(F)c2)C(=O)c2ccccc2N1 774142969 TYLRTILJAVCZGL-WZUFQYTHSA-N 299.276 3.573 30 20 CHED CC#CCCOC(=O)c1sc(-c2ccccc2C)nc1C 774301126 FGZKAGLSBANBBW-UHFFFAOYSA-N 299.395 3.997 30 20 CHED CC(C)(C)CCNN=CCCc1ccc2c(c1)CCO2 774411005 RSTRUINBUJCRQR-UHFFFAOYSA-N 274.408 3.566 30 20 CHED C[C@@H](Cc1ccco1)N[C@H]1CCCc2cc(C#N)ccc21 775362922 JQOYZZDEJKHCRG-UGSOOPFHSA-N 280.371 3.749 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCC1CCC1 775414939 MAVPYXKIRVFDKB-QGZVFWFLSA-N 254.377 3.715 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(SC)c(Cl)c1 775521437 NHTYOGMEMZOIMY-UHFFFAOYSA-N 282.796 3.595 30 20 CHED C[C@@H](C(=O)OCC1(C#N)CC1)c1c(Cl)cccc1Cl 775855201 YCHOPPXWXVTUOZ-SECBINFHSA-N 298.169 3.944 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 776156932 MVFNCAQRJCKUEJ-KBXCAEBGSA-N 277.371 3.921 30 20 CHED Cc1ccsc1C(=O)O[C@@H](C#N)C1CCCCC1 776361031 INZIJRSVXJTKSS-LBPRGKRZSA-N 263.362 3.686 30 20 CHED Cc1ccc(C(=O)CCC(=O)OCCC(C)(C)C#N)s1 776368425 UZNYSLNRAFYQNL-UHFFFAOYSA-N 293.388 3.503 30 20 CHED Cc1ccc(OCCC(=O)OCCC(C)(C)C#N)c(C)c1 776372756 PFFJXAILJDNRFY-UHFFFAOYSA-N 289.375 3.555 30 20 CHED C=CCN(C)Cn1nc(-c2cccc(Cl)c2)oc1=S 777543667 GLOVUHNJNPWPCS-UHFFFAOYSA-N 295.795 3.601 30 20 CHED C=CC[C@H](N[C@H](C)C1CCSCC1)c1ccncc1 779023643 HMIOHYNOIQDSMD-CJNGLKHVSA-N 276.449 3.820 30 20 CHED C=CC[C@@H](NC1CC(OC(C)(C)C)C1)c1ccncc1 779063481 BMYBGBMIQJZHQA-UYSNPLJNSA-N 274.408 3.635 30 20 CHED C#CCCCCCC(=O)N(CC)Cc1cccs1 779744954 ADUCDRXTSGICAE-UHFFFAOYSA-N 263.406 3.680 30 20 CHED C#CCCCCCC(=O)Nc1cn(C)nc1-c1ccccc1 780032831 VBIRIXXEKZGCEC-UHFFFAOYSA-N 295.386 3.609 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C/c1cccc(O)c1 781072405 FYYNANUOBPXEBA-VAWYXSNFSA-N 293.366 3.620 30 20 CHED C[C@H]1CCCC(=NNc2ncnc3sccc23)[C@H]1C 781121654 LVYZEOMFGYGOAB-UWVGGRQHSA-N 274.393 3.915 30 20 CHED COc1ccc2ccccc2c1C=NNc1ccnc(F)c1 781130417 SYKNAOXPWGTQRZ-UHFFFAOYSA-N 295.317 3.829 30 20 CHED Cc1cc(COC(=O)/C=C/c2cccs2)ccc1C#N 782037896 ZWIOJPSMWKVDBK-VOTSOKGWSA-N 283.352 3.685 30 20 CHED CCc1nc(C)c(C(C)=NN[C@@H]2CCCC2(C)C)s1 782299508 HCRNUPWRFKUYHT-GFCCVEGCSA-N 279.453 3.906 30 20 CHED C=CCC1(C(=O)OC[C@@H]2CCC3(CCCC3)O2)CCC1 784927517 PNFOXGDGNZGIRM-AWEZNQCLSA-N 278.392 3.768 30 20 CHED N#C[C@@H](OC(=O)c1cc(F)c(F)cc1F)C1CCCCC1 785600160 CGMUDZVWMSITHZ-CQSZACIVSA-N 297.276 3.733 30 20 CHED CC#CCCCC(=O)Oc1ccc(F)c(C(F)(F)F)c1 785971446 QOEUHILSMFIBIB-UHFFFAOYSA-N 288.240 3.944 30 20 CHED CC[C@@H](CC#N)OC(=O)c1c(C)oc2ccc(OC)cc12 787089764 NPGQOUQRFNGXBT-NSHDSACASA-N 287.315 3.599 30 20 CHED COc1nc2ccccc2cc1/C=C\C(=O)c1cncs1 787167780 DZDYJLOMQHABEX-SREVYHEPSA-N 296.351 3.596 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)c1cncs1 787171848 FEZJEQYBWTZJHD-RQOWECAXSA-N 294.719 3.601 30 20 CHED COc1cccc(O)c1C=Nc1cccc2c1OC(C)(C)C2 788674221 GCXJYJHFHYXYQR-UHFFFAOYSA-N 297.354 3.865 30 20 CHED CCC(=NNc1ccccc1OC(F)(F)F)c1cn[nH]c1 789050838 LPHMUGBEUVFEGY-UHFFFAOYSA-N 298.268 3.535 30 20 CHED Cc1ccc2nc(/C=C3/Cc4cc(F)ccc4C3=O)cn2c1 789144951 XTPBJYWCGIYDIZ-JYRVWZFOSA-N 292.313 3.604 30 20 CHED C#CCCCCCC(=O)NCc1c(Cl)cccc1OC 791006476 KCEVZLYVCUPMFN-UHFFFAOYSA-N 293.794 3.549 30 20 CHED CCCC[C@H](CC)C(=O)NO[C@H](C)c1ccc(C#N)cc1 794725422 GLVHLUYYCGVZGH-HIFRSBDPSA-N 288.391 3.883 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 795558449 VLJIYUHEOOEZCD-CKEIUWERSA-N 278.440 3.895 30 20 CHED CC(C)(CC(=O)OCCCC#N)C1CCCCC1 796047173 MSGRVBQPSZTASM-UHFFFAOYSA-N 251.370 3.830 30 20 CHED C[C@@H](OC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccc(C#N)cc1 796065638 OEGPKXYQRLDQFJ-PIGZYNQJSA-N 295.313 3.641 30 20 CHED CCc1cc(OC(=O)c2ccc(C#N)o2)ccc1Cl 796733732 WIERCLSMCPROKO-UHFFFAOYSA-N 275.691 3.586 30 20 CHED C#CCCCC(=O)N1CCOc2cc(Cl)c(Cl)cc21 797353502 KGHWLDXULBFUDU-UHFFFAOYSA-N 298.169 3.522 30 20 CHED CN(Cc1ccccc1)C1CCC(=NNC2CCCC2)CC1 797786989 VYIUQMZDDGOLBP-UHFFFAOYSA-N 299.462 3.949 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc2c(c1)COC2 798370539 PZCUXOCXHGZMHM-VOTSOKGWSA-N 296.370 3.699 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1ccc(OCC)cc1 798374898 CZFVWMMJWKSDJM-GFCCVEGCSA-N 278.421 3.726 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(C)C 799045889 WDWUBPDTEDHGQF-FZMZJTMJSA-N 297.320 3.583 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NNCC(C)C)C1 799111399 IKMBZFFPQCXGDO-AWEZNQCLSA-N 259.397 3.649 30 20 CHED CCC(=O)c1cccc(NC(=O)c2ccc(C)c(C#N)c2)c1 799352833 RNVWGUOHEVONEI-UHFFFAOYSA-N 292.338 3.712 30 20 CHED CC(=NNc1nccnc1C(C)C)c1c(C)cc(C)cc1O 799886869 FJZFIILVTLZQES-UHFFFAOYSA-N 298.390 3.759 30 20 CHED Cc1cc(C(=O)/C=C/c2nc(Cl)cs2)oc1C 799898261 XGOLYVPCGMVJDA-ONEGZZNKSA-N 267.737 3.902 30 20 CHED COc1ccc(CNN=C2CCC[C@@H]2CCCF)cc1 800810918 ZRNHASBQERMJQW-CQSZACIVSA-N 278.371 3.691 30 20 CHED CC[C@@H](Nc1cc(C#N)ccn1)c1ccccc1OC 804347344 JOWBQMFYNQWELS-CQSZACIVSA-N 267.332 3.525 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccc(C)cc1 804491066 VWUPDXPPFCZEJF-CRAIPNDOSA-N 291.435 3.894 30 20 CHED C=CCCCCCCNC(=O)c1cc(O)nc(C2CC2)c1 805220159 FYIHFSWCDZAXDB-UHFFFAOYSA-N 288.391 3.531 30 20 CHED C=CCCCCCCCCN[C@H]1CCOC[C@H]1C 806175788 FMQBZDAJVUIDTD-CVEARBPZSA-N 253.430 3.918 30 20 CHED C(/C=C\c1ccccc1)=NNc1nccnc1C1CCC1 807991596 NOACOPVHHSQAPX-RNUYZFPXSA-N 278.359 3.855 30 20 CHED CC(C)[C@H](NCC#Cc1ccc(Cl)cc1)C(F)(F)F 809379179 HBSYFHOTKASCNK-ZDUSSCGKSA-N 289.728 3.868 30 20 CHED C#Cc1ccc(CN[C@H](c2ccc(OC)cc2)C2CC2)cc1 809603278 MWAPFGXMZAPNPH-FQEVSTJZSA-N 291.394 3.917 30 20 CHED C#Cc1ccc(CN[C@@H](CCC)c2ccccn2)cc1 809615606 JGBBKAFWKVZDEP-KRWDZBQOSA-N 264.372 3.694 30 20 CHED C#C[C@@H](NCc1c[nH]nc1-c1ccc(C)cc1)C(C)(C)C 809780987 DMNORVUUJHGURE-MRXNPFEDSA-N 281.403 3.523 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(-c2ccccc2)c(C)n1 810274597 VQUCRVGKPBKROJ-OAHLLOKOSA-N 293.370 3.590 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C1(F)CCCCC1 810528317 QMOPZQXQWHFHTO-UHFFFAOYSA-N 291.322 3.535 30 20 CHED C[C@H](COc1ccccc1)NN=CC1CCCCC1 811666180 ZTMBREFRACQIKE-CQSZACIVSA-N 260.381 3.610 30 20 CHED COc1ccc(C=NOCCOC(C)C)c2ccccc12 812237971 JEAZUBDPTISELW-UHFFFAOYSA-N 287.359 3.624 30 20 CHED Cc1ccsc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1F 814191413 PSCOFJBKZFEGBN-SNAWJCMRSA-N 291.303 4.000 30 20 CHED CC(=NOCCC1CC1)c1cc(Br)ccc1O 814245777 HUJYQIYVRCWEOZ-UHFFFAOYSA-N 298.180 3.695 30 20 CHED CC1CC(=NNc2ncc(C(F)(F)F)cc2Cl)C1 814697598 VBYDDDRXQNDVAY-UHFFFAOYSA-N 277.677 3.952 30 20 CHED CCC(=NNc1ccccc1F)c1ccc(F)cn1 814789410 GPANOPUTQMQAFS-UHFFFAOYSA-N 261.275 3.586 30 20 CHED CCCC(=NNc1oc(C(C)C)nc1C#N)c1cccnc1 814820494 FRETWEFUAKPQOA-UHFFFAOYSA-N 297.362 3.681 30 20 CHED N#C[C@@H]1CCCC(=NNc2cccc(C(F)(F)F)n2)C1 814853158 FLYWNJGAWYOXHX-SECBINFHSA-N 282.269 3.582 30 20 CHED CC(=NN=C1CC[C@@H](Cc2ccccc2)C1)c1cnccn1 814861772 VFKRBTQUHHJVKK-INIZCTEOSA-N 292.386 3.684 30 20 CHED c1ccc([C@@H]2CCC(=NNCCc3ccccn3)C2)cc1 814924793 BOSMSLIXMYYAPP-MRXNPFEDSA-N 279.387 3.537 30 20 CHED COc1ccc(CN[C@@H]2CCCC23CCCC3)cc1C#N 815597198 OYIRTGJLMWXFLJ-QGZVFWFLSA-N 284.403 3.769 30 20 CHED Cc1cccc(F)c1NN=C1CCc2cccnc2CC1 817325732 GOABSXVEIYLPMK-UHFFFAOYSA-N 283.350 3.876 30 20 CHED CCCCCC(C)=Nn1c(C)nc2sccc2c1=O 818264423 RZNLHAGBNUTCJC-UHFFFAOYSA-N 277.393 3.571 30 20 CHED CCSCC(=NN[C@H](C)c1ccncc1)c1ccccc1 819818236 KPDNPJPJGJMYSL-CQSZACIVSA-N 299.443 3.890 30 20 CHED Clc1cc(NN=CCC2CCOCC2)cc(Cl)n1 819828445 DGDIGCMJTGVAHL-UHFFFAOYSA-N 288.178 3.603 30 20 CHED CCOc1ccc(NC2CCC(C)(C#N)CC2)cc1OC 823529299 KJBXEPSWDZQDGA-UHFFFAOYSA-N 288.391 3.978 30 20 CHED Cc1c(C(=O)/C=C/c2c[nH]c(C(=O)O)c2)oc2ccccc12 832848560 GWCLPIPEZGIPPP-VOTSOKGWSA-N 295.294 3.664 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ncc(F)cc2F)C1 835022440 KCIVQTXREPDLCG-ZJUUUORDSA-N 253.296 3.584 30 20 CHED Cc1sccc1C(=O)OCCCCC(C)(C)C#N 838105849 WELBYKAOUZENLD-UHFFFAOYSA-N 265.378 3.933 30 20 CHED C#CCC[C@@H](C)OC(=O)CCC(=O)c1cc(C)sc1C 839042384 KVBKDYKOGJLREW-LLVKDONJSA-N 292.400 3.673 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(OC(F)F)c2)C1 839043273 IYGVVNCJIKSNQF-ZYHUDNBSSA-N 295.285 3.527 30 20 CHED Cc1c(C(=O)O[C@H]2CCC[C@H](C#N)C2)cnc2ccccc12 839051830 GRBSJJSQFNOKNI-KBPBESRZSA-N 294.354 3.782 30 20 CHED Cc1c(C(=O)O[C@H]2CCC[C@H](C#N)C2)ccn1C(C)C 839063219 QJNXGXHOSYMRRI-KBPBESRZSA-N 274.364 3.617 30 20 CHED C=CCC(F)(F)C(=O)N1CCCc2ccc(C)c(F)c21 839441072 GPDSVMKAKLNPOD-UHFFFAOYSA-N 283.293 3.625 30 20 CHED Cc1cc(N(C)C)ccc1CN(C)Cc1ccc(C#N)cc1 840910161 LRDGXKWLPFXTAD-UHFFFAOYSA-N 293.414 3.565 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)c1coc(C(C)C)n1 844552191 JRLWDMQVYMEQGI-WAYWQWQTSA-N 287.363 3.547 30 20 CHED C=C[C@H](C)ONC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 845625026 ZPCIHVNFSGFJAL-IAOVAPTHSA-N 298.386 3.522 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(N=S(C)(C)=O)cc1 848123455 LOUGPYMDNFTJAU-UHFFFAOYSA-N 294.420 3.587 30 20 CHED CC(CC1CCCC1)=NNc1ccc(CC(=O)O)cc1 848414594 ABOZDTNWSIMYSD-UHFFFAOYSA-N 274.364 3.682 30 20 CHED C/C(=C\c1ccco1)C(=O)OCCCC(C)(C)C#N 848835636 BQOFYEFRCVZDJH-ZRDIBKRKSA-N 261.321 3.556 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)C2CCCCC2)cc1F 849243002 DLRZYPNMJCFVEN-VQHVLOKHSA-N 276.307 3.687 30 20 CHED C=CCCSCCNC(=S)Nc1ccc(CC)cc1 849278305 WPBWKHLIVRQLHJ-UHFFFAOYSA-N 294.489 3.845 30 20 CHED C=CCCC[C@H](C)OC(=O)CCCc1cccnc1 849861153 SURXVLREPQIVJE-AWEZNQCLSA-N 261.365 3.692 30 20 CHED CSc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(C)o1 851083376 ITYOIENZLLUBOP-GHMZBOCLSA-N 279.361 3.549 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@H](CC=C)C1)c1ccccc1 852228643 ZJZXOWQLINHYCT-FUHWJXTLSA-N 296.414 3.749 30 20 CHED CCOC1CCC(=NNCc2cccc(Cl)c2)CC1 853316988 KKAALZURZLJCMM-UHFFFAOYSA-N 280.799 3.765 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)O[C@@H](C#N)C(C)(C)C 860646342 FXWPCWHLJWCLGB-ZFWWWQNUSA-N 273.376 3.655 30 20 CHED FC(F)(F)C(F)(F)CNN=Cc1cscc1Cl 863181596 RQCOZGQSHFCMHC-UHFFFAOYSA-N 292.660 3.523 30 20 CHED C=C1CCN(C(=O)Nc2ccc(C)c(OCC)c2)CC1 864253543 WJYCYKJVIDQAJZ-UHFFFAOYSA-N 274.364 3.578 30 20 CHED CC(C)[C@H](NCC1CCC(C#N)CC1)c1ccccn1 866353337 RATXOJZAVFUBIQ-DQPZFDDXSA-N 271.408 3.698 30 20 CHED N#CCc1ccc(OC(=O)OC2CCCCC2)cc1 866407240 PWIGQHAUQREOFR-UHFFFAOYSA-N 259.305 3.601 30 20 CHED CC(C)CC(=O)N1CCCSC1=Nc1ccccc1 871596458 YXUKQOCWWJCSQD-UHFFFAOYSA-N 276.405 3.686 30 20 CHED CCCCCCCN[C@H](C)CC1(C#N)CCOCC1 876897648 KYKRSHFRTZOBFE-OAHLLOKOSA-N 266.429 3.645 30 20 CHED C#CCCCCCCN[C@H](c1ccccc1)c1nccn1C 876921424 OSZSPDUZYXMYCA-GOSISDBHSA-N 295.430 3.683 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@@H]2c2ccc(Cl)cc2)n1 881793425 MSWBKTKZONRYOY-OAHLLOKOSA-N 298.777 3.652 30 20 CHED CCC(=O)N(C)c1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 883314866 RBILQDXBPRCFGP-DZGCQCFKSA-N 285.391 3.554 30 20 CHED C=C1CCC(C(=O)N(C)[C@H]2CCc3ccccc32)CC1 887884289 QOHHYRCEEBHVAY-KRWDZBQOSA-N 269.388 3.879 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(N=S(C)(C)=O)c1 891480130 WZLUXSNWSQUUKS-UHFFFAOYSA-N 294.420 3.587 30 20 CHED C=CCCC[C@H](C)NC(=O)N(Cc1ccoc1)C1CC1 894027831 LSQIPSVZUASGSF-ZDUSSCGKSA-N 276.380 3.698 30 20 CHED C[C@@H](NCC(C)(C)C1CCOCC1)c1cccc(C#N)c1 901643826 WWLPYORGFDXORF-CQSZACIVSA-N 286.419 3.662 30 20 CHED C=CCC[C@@H](NC/C=C\c1cc(C)c(C)cc1C)C(=O)O 901690255 LSTMFCVZUKBYIF-ZPUOCTKUSA-N 287.403 3.634 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)O 901872498 QWTHPKOHTRUIGL-QBYUYEEZSA-N 289.419 3.509 30 20 CHED CC[C@H](NCc1cnc(C)cc1C)c1cccc(C#N)c1 903014079 NAJSMCVHRMXGOP-SFHVURJKSA-N 279.387 3.811 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C)c(C)s1 908642203 QDQFWAYUXIGOPW-CYBMUJFWSA-N 291.416 3.505 30 20 CHED CC(=NNc1cncc(Cl)n1)c1cc(C)sc1C 914557208 NZSIXZXSLGMDRD-UHFFFAOYSA-N 280.784 3.644 30 20 CHED Cc1nc(C=NNc2cccc(Cl)c2)c2ccccn12 914601044 GBGOMQYNGNKQBC-UHFFFAOYSA-N 284.750 3.742 30 20 CHED Cc1ccc(C=NNC(=S)Nc2ccc(C)c(C)c2)o1 915918885 DEPPKBHHJQAKIB-UHFFFAOYSA-N 287.388 3.525 30 20 CHED Cc1cc(O)nc(NN=C(CC(C)(C)C)c2ccccc2)n1 915932290 NGESXWZNKFHYAR-UHFFFAOYSA-N 298.390 3.743 30 20 CHED CCC(=NNc1ccccc1F)c1cccc([N+](=O)[O-])c1 915958129 NXOYVDNUBZUDIH-UHFFFAOYSA-N 287.294 3.960 30 20 CHED CCCCOc1cccc(C/N=C\c2cccc(O)c2O)c1 915982124 PMJYQOPJJYLDFS-UYRXBGFRSA-N 299.370 3.896 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccc2c(c1)CCC2 916255246 MDFGRVYNNOAAQD-UHFFFAOYSA-N 294.354 3.710 30 20 CHED Cc1cc(C)c(C=NNc2ccc(Cl)nn2)c(C)c1 916288436 ZZGIGNZKTXVNFC-UHFFFAOYSA-N 274.755 3.501 30 20 CHED C[C@@H]1CCC[C@H](NC(=S)NN=C2CCCCC2)[C@@H]1C 916352677 UUKHLDGWVMRFFI-BZPMIXESSA-N 281.469 3.595 30 20 CHED C=CCOc1ccccc1CNC[C@@H]1CC1(Cl)Cl 920956844 WEFYRZDVDDKOSD-LBPRGKRZSA-N 286.202 3.535 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1ccc(N(C)CCC#N)cc1 921068122 ZHTOFBVCRYADGO-MNZLEMJZSA-N 299.462 3.951 30 20 CHED N#CC1(CCCCN(Cc2ccncc2)C2CC2)CCC1 930111955 JIHWPEWUYDJZQE-UHFFFAOYSA-N 283.419 3.910 30 20 CHED N#Cc1ccsc1NC(=O)N1CCC[C@@H]1c1ccccc1 931845866 OFYYIEHOFYIMTJ-CQSZACIVSA-N 297.383 3.989 30 20 CHED CC(=NOC(C)(C)C)c1cccc(Br)c1 1116408589 HBWBRZIEUCRMIA-UHFFFAOYSA-N 270.170 3.988 30 20 CHED C[C@H](COc1ccccc1F)N[C@H](C)c1cccc(C#N)c1 1116488344 PSDSLOCUFYPARL-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2ccccc2F)s1 1116615885 QFRMOIDNUWUCEB-LBPRGKRZSA-N 291.391 3.845 30 20 CHED N#Cc1cc(C(=O)N2CCC3(CCCCC3)CC2)cs1 1118830596 RIDFEDASVUMEQO-UHFFFAOYSA-N 288.416 3.806 30 20 CHED C=C(CC(C)C)C(=O)Nc1n[nH]c(-c2ccc(C)o2)c1C 1123898549 JHAVKOHFDDJRRT-UHFFFAOYSA-N 287.363 3.827 30 20 CHED CCc1nc(C#N)cc(NC2CCC(C(C)C)CC2)n1 1162762096 CKSKTMFWPXFSAH-UHFFFAOYSA-N 272.396 3.537 30 20 CHED CC(C)[C@@H]1CCN1c1ccc(C#N)c(Br)c1 1186470334 LZJBOXHXCLOYEX-ZDUSSCGKSA-N 279.181 3.555 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 1263706204 WEXOTBJBHJULQF-CYBMUJFWSA-N 261.365 3.617 30 20 CHED N#Cc1ccc(CCN2CCCc3cccc(F)c32)cc1 1307572116 VNDJDBLRDCFFHX-UHFFFAOYSA-N 280.346 3.693 30 20 CHED C[C@@H](CCNC(=O)Nc1ccc(C#N)cn1)CC(C)(C)C 1311057580 YNXNEIUFGKSQQP-LBPRGKRZSA-N 288.395 3.537 30 20 CHED CC(Cc1ccccc1Cl)=NNc1ccc(F)cn1 1318696661 ROJQUEKGBNOXRF-UHFFFAOYSA-N 277.730 3.905 30 20 CHED Cc1cc(NC(=O)CC#Cc2ccccc2)ccc1F 1319212117 FUXQWUJFKVSADP-UHFFFAOYSA-N 267.303 3.514 30 20 CHED Cc1ccc(C[C@@H](C)Nc2cccc(CC#N)n2)s1 1320364688 PLIJUALPNYPKSG-LLVKDONJSA-N 271.389 3.561 30 20 CHED C=CC[C@H]1N(C(=O)c2nc(C)cs2)CCCC1(C)C 1321175158 LXGKOFZGUGAYOX-GFCCVEGCSA-N 278.421 3.658 30 20 CHED C#CCCCNC(=O)c1ccc2c(c1)oc1ccccc12 1323589442 LAFQLDDBUHYJCC-UHFFFAOYSA-N 277.323 3.729 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(N2CCCCC2)cc1 1325620348 VUDKZIOWOYJIDB-DOTOQJQBSA-N 288.435 3.529 30 20 CHED CC(C)C[C@@H](C)OCCc1nnc(-c2ccc(C#N)cc2)o1 1326237342 DWYQEHAJUKRJHH-CYBMUJFWSA-N 299.374 3.602 30 20 CHED C[C@H]1CC(=NNc2ccn(C)n2)C[C@H](c2ccccc2)C1 1326241972 OLGIJYYDFNVUNH-UKRRQHHQSA-N 282.391 3.792 30 20 CHED C[C@H]1CCC[C@]1(C)c1nnc(-c2ccc(C#N)cc2)o1 1327866713 SQUBQJFVSOAGHF-ZBEGNZNMSA-N 267.332 3.686 30 20 CHED CCCn1nc(C)c(-c2ccc(F)c(CC#N)c2)c1C 1336299311 IVKQWDHNIVFSHH-UHFFFAOYSA-N 271.339 3.782 30 20 CHED Cc1cccnc1[C@H](C)Nc1nc(Cl)c(C#N)s1 1339872035 LKDQMQASTSOHJO-QMMMGPOBSA-N 278.768 3.545 30 20 CHED Cc1cccc(-c2nnc(-c3cccc(C#N)c3)o2)c1F 1341641102 ZHKKKKUYSGGFHP-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1cccc(F)n1 1342701256 WUTCXHYAPZLHFP-FRRDWIJNSA-N 274.339 3.613 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1CCCC2(CC2)C1 1342816605 OVMNGLHWNYYVSJ-UHFFFAOYSA-N 298.434 3.668 30 20 CHED Cc1ccc(C[C@H](C)Nc2cccc(CC#N)n2)c(C)c1 1342843949 RJPNGEVTVADDTA-HNNXBMFYSA-N 279.387 3.808 30 20 CHED Cc1ccc2[nH]c(C(=O)O[C@H](C#N)C3CC3)c(Cl)c2c1 1343994740 VIZODVNULGVBIL-GFCCVEGCSA-N 288.734 3.589 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1ccc(C#N)cc1F 1456650057 SRUAZWCBGQKINJ-JRPNMDOOSA-N 275.323 3.679 30 20 CHED C=C(CNC(=O)[C@H](CC#N)c1ccccc1)c1ccccc1 1460682079 RMNUMGYLSSROJC-GOSISDBHSA-N 290.366 3.513 30 20 CHED C[C@@H]1C[C@@H](Nc2cc(C#N)ncn2)C[C@H](c2ccccc2)C1 1472804931 RCFUAZQFINPWCP-NUEKZKHPSA-N 292.386 3.733 30 20 CHED C=C(C)CCC(=O)OCc1cnc2ccccc2c1 1516626512 YILKSLGZNCZMCA-UHFFFAOYSA-N 255.317 3.634 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(F)ccc1OC 1520244145 NBERAUAUWDCTBN-CYBMUJFWSA-N 292.354 3.797 30 20 CHED C=C(Cl)Cn1c(N(C)[C@H](C)CCC)nnc1C(C)(C)C 1539820818 RCIBSSDKINEMOY-GFCCVEGCSA-N 298.862 3.953 30 20 CHED C[C@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1559087712 ZDMMJHXGAXZBOI-ZDUSSCGKSA-N 271.408 3.877 30 20 CHED CC(C)(C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CCCC1 1595733508 DCDVGWAOGGIOGP-UHFFFAOYSA-N 296.374 3.589 30 20 CHED C=CCC[C@H](C)Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1 1602833383 LBZHHBZVOWUSRX-NSHDSACASA-N 283.379 3.511 30 20 CHED Cc1nc(N2CC3(CCCC3)[C@@H]2C(C)C)ccc1C#N 1642789999 UNIRRISWXNQRPI-INIZCTEOSA-N 269.392 3.667 30 20 CHED CCN(Cc1cc(C#N)ccn1)c1ccc(Cl)c(F)c1 1645421975 QZBPGLSVLJIAQA-UHFFFAOYSA-N 289.741 3.772 30 20 CHED N#Cc1cnc(NCc2ccc3sccc3c2)c(F)c1 1651120488 AVWPAEFXLGKTQR-UHFFFAOYSA-N 283.331 3.919 30 20 CHED CCc1nc(C#N)cc(N(CC)[C@@H](CC)c2ccccc2)n1 1651448444 NSFBLTUFQPVZOQ-INIZCTEOSA-N 294.402 3.888 30 20 CHED CN(CC1(CC#N)CC1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1658882689 WISLXGLSYNWSEG-DLBZAZTESA-N 298.430 3.858 30 20 CHED C[C@@H]1CN(CCc2ccc(C#N)cc2)c2ccccc21 1659080120 DBDMIRHKNFXOEV-CQSZACIVSA-N 262.356 3.724 30 20 CHED N#CCOc1cccc(NCc2cc3ccncc3s2)c1 1659393735 WNGOWXTVSKNMJJ-UHFFFAOYSA-N 295.367 3.811 30 20 CHED COCc1ccc(NC(=O)Nc2cccc(CC#N)c2)cc1 1671983901 CGVJUBWBNJAXPQ-UHFFFAOYSA-N 295.342 3.543 30 20 CHED CC(=NO[C@H](C)c1ccccc1)c1cc(C(=O)O)cs1 1776082973 FCCUPZWAPBYUDC-LLVKDONJSA-N 289.356 3.948 30 20 CHED C=CCCC1(C(=O)O)CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 1776169591 YHNAWDUNLCTLQL-CVEARBPZSA-N 291.435 3.556 30 20 CHED C=CCCCCN1CC[C@@H]2C[C@@H](CC(=O)O)CC[C@@H]2C1 1776174866 ULMCSDJQEBGOGF-ARFHVFGLSA-N 279.424 3.556 30 20 CHED O=C(O)Cc1cccc(/C=C2/CCc3ccsc3C2=O)c1 1777651152 PHWCGMNAIBVKEY-ZROIWOOFSA-N 298.363 3.588 30 20 CHED CCn1c(NN=C2CCCCCC2)nc2ccccc2c1=O 7863554 SIFSASAQBIGSMY-UHFFFAOYSA-N 298.390 3.539 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 603555596 ZRJYYRWEPUBXAM-UHFFFAOYSA-N 282.343 3.783 30 20 CHED C=CCCCCCCNC(=O)c1cc(Br)c[nH]1 310252571 XAAHNZZWTAUKRH-UHFFFAOYSA-N 299.212 3.644 30 20 CHED N#CCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 108385481 UYDQRQHSVHYOJY-MRXNPFEDSA-N 253.349 3.609 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@H](C)c1ccccn1)c1ccccc1 179167258 OVYLGHYVSKWGLU-CVEARBPZSA-N 294.398 3.961 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C)[C@H]1C 179829767 MUOOVIJWPHHGBV-DGCLKSJQSA-N 271.364 3.519 30 20 CHED C[C@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173328728 WAUJYGUDKXSFST-BZHVJNSISA-N 297.185 3.515 30 20 CHED CCCCO[C@H]1C[C@@H](NCC(C)(C)CCC#N)C1(C)C 176985978 DYKWZZSXOFVVIY-CABCVRRESA-N 280.456 3.890 30 20 CHED C=CCCCC(=O)N[C@@H]1CCOc2c(Cl)cccc21 175409301 VNORLGRWLUNQRA-CYBMUJFWSA-N 279.767 3.636 30 20 CHED C[C@@H](CC(=O)NC1(C#N)CCCCC1)c1cccc(F)c1 172287485 MXECMBHYFODWMW-ZDUSSCGKSA-N 288.366 3.662 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cccc(CO)c1 305670024 WIRBQLRJGMOCDM-HNNXBMFYSA-N 297.398 3.595 30 20 CHED C=CC1CCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 111256584 OEYUDDAEOGIETN-HNNXBMFYSA-N 286.419 3.528 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(NC(=O)CCC)c1 117001840 WKWLYDFKZOWWMH-GFCCVEGCSA-N 289.379 3.511 30 20 CHED Cc1cc(C)c(CNc2nc3ccccn3c2C#N)c(C)c1 302125385 ZIYQHWOWMXSPJH-UHFFFAOYSA-N 290.370 3.743 30 20 CHED COc1cccc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)c1 63275242 WALTVTJTPUISCG-CMDGGOBGSA-N 284.359 3.612 30 20 CHED C=CC1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 110369135 XTRRZYYQVVFSCZ-UHFFFAOYSA-N 263.768 3.687 30 20 CHED N#Cc1ccc(N[C@@H]2CC=CCC2)nc1N[C@H]1CC=CCC1 302869978 BGBKFHYUWYAKRF-CVEARBPZSA-N 294.402 3.994 30 20 CHED CC[C@@H](Nc1ccc(C#N)c(Br)c1)C1CC1 304352209 KWWZBAWMFRMVRW-CYBMUJFWSA-N 279.181 3.921 30 20 CHED CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(F)cc1 172620594 CHAVNSCZXSDQEY-GOSISDBHSA-N 298.361 3.969 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCCC(F)(F)C1 409631953 MTQYRKKEQUHDJL-CHWSQXEVSA-N 288.382 3.856 30 20 CHED CN(C(=O)CC(C)(C)c1ccccc1)c1cccc(C#N)c1 67059367 LJHPUPMXPOAQNI-UHFFFAOYSA-N 292.382 3.889 30 20 CHED C=CCCSc1nnc(C)n1CCc1cccs1 128826012 FTHBBPMAMYGJNF-UHFFFAOYSA-N 279.434 3.559 30 20 CHED CC1CCN(C[C@H]2CCCN(c3ccc(C#N)cc3)C2)CC1 301129355 WROXNUSQCCYTIS-GOSISDBHSA-N 297.446 3.507 30 20 CHED CC(C)[C@H](NCC#N)c1cccc(C(F)(F)F)c1 181888293 FYPUYHVMBVJRIH-LBPRGKRZSA-N 256.271 3.516 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(C)cc2)c1 33458520 HOVVXKGAGABDLF-KHPPLWFESA-N 279.339 3.850 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@@H](C)c1nc2ccccc2n1C 187972969 TVARAJLDGVNEDY-YVEFUNNKSA-N 286.375 3.780 30 20 CHED CCc1ccc([C@H](CO)N[C@H](C)c2ccc(C#N)cc2)cc1 305766249 FGKXAFWLYFKGAG-KUHUBIRLSA-N 294.398 3.505 30 20 CHED CC(C)c1cnc(NCc2cc(C#N)cs2)s1 185983474 LIVGBNPSCGHHFU-UHFFFAOYSA-N 263.391 3.812 30 20 CHED CCN(CCC#N)Cc1cnc(-c2ccsc2)s1 127630738 AEXZRFLTXVUNLB-UHFFFAOYSA-N 277.418 3.607 30 20 CHED C=C[C@H]1CCCCN1CCC(=O)Nc1ccccc1Cl 489448028 LLUHPAXMGFNMFU-ZDUSSCGKSA-N 292.810 3.709 30 20 CHED C#C[C@H](C)NC(=O)c1ccc(C)cc1Sc1ccccc1 185332414 QROJLFPNMULJLO-AWEZNQCLSA-N 295.407 3.898 30 20 CHED C[C@@H](NCCC#N)c1ccccc1OCc1ccccc1 411451699 ICMMQFOXVYCIME-OAHLLOKOSA-N 280.371 3.830 30 20 CHED CS[C@@H]1CC[C@@H](Nc2ccc(Cl)cc2C#N)C1 78477232 HIEZKPOZGZLGLP-VXGBXAGGSA-N 266.797 3.908 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)c2ccccc2n1 410132959 YTNJVJBRUWEWML-CYBMUJFWSA-N 268.360 3.628 30 20 CHED CC(C)c1nc(CN(CC#N)C2CCCC2)cs1 156685381 FPBTZWOGITWMRQ-UHFFFAOYSA-N 263.410 3.535 30 20 CHED CN(C)c1nnc(SCCC2(C#N)CCCCC2)s1 412995016 PZZGPPOGHYIXHQ-UHFFFAOYSA-N 296.465 3.560 30 20 CHED COC(C)(C)C[C@@H](C)Nc1ccc(C#N)c(Cl)c1 37393123 XPYYHQMMFZOBFP-SNVBAGLBSA-N 266.772 3.827 30 20 CHED C=CCC[C@H](NCCCCN1CCC[C@H](C)C1)C1CC1 120198086 GKRWDJQSJKLZBP-WMZOPIPTSA-N 278.484 3.833 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1cccc(F)c1 410145495 MEDGAVAHTYJGEX-IUODEOHRSA-N 263.356 3.790 30 20 CHED CSc1cc(C)ccc1NC(=O)NCC(C)(C)CC#N 417245976 TZALUGJFGNZBNN-UHFFFAOYSA-N 291.420 3.778 30 20 CHED C=CCN(C(=O)CCc1ccc(C#N)cc1)c1ccccc1 73982201 DMQLWFNPPVCXTQ-UHFFFAOYSA-N 290.366 3.710 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCCCC(C)(C)C#N 189494093 UJUJOCBTTUMOPW-UONOGXRCSA-N 268.470 3.970 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccccc1OCC1CC1 188441510 QRXPRFYZSBOLMA-GOSISDBHSA-N 287.403 3.694 30 20 CHED C=CCOc1ccc(COC(=O)CCc2ccco2)cc1 183573073 HBEWVWVYESPHIW-UHFFFAOYSA-N 286.327 3.520 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1cn[nH]c1C)c1ccc(F)c(F)c1 186452593 ZWNQIROXBNAOQK-MGPLVRAMSA-N 291.345 3.964 30 20 CHED CCC(CC)[C@H](CNc1ccc(C#N)cc1)N1CCCC1 507143458 GRLKIQAKPZHUNO-SFHVURJKSA-N 285.435 3.871 30 20 CHED CC[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1O 183326551 SLAAHHAMJIGWPO-KRWDZBQOSA-N 296.370 3.535 30 20 CHED C[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)CC1 79442355 STPSFCSWNYKKJI-CYBMUJFWSA-N 288.416 3.564 30 20 CHED C=CC[C@@H](CC)NC(=O)c1csc(C(C)(C)C)n1 410124829 YCMHRGKJTVMBEC-SNVBAGLBSA-N 266.410 3.525 30 20 CHED Cc1ccc([C@H]2OCCC[C@@H]2Nc2ccc(C#N)cn2)cc1 74778289 WNRRPOYZBZFWTO-FUHWJXTLSA-N 293.370 3.594 30 20 CHED CCCCCCCS[C@H](C)c1nc(COC)no1 182134930 KJCIWFVXSNBJOF-LLVKDONJSA-N 272.414 3.981 30 20 CHED CO[C@@H](C)COc1ccc(Oc2ccc(C#N)cc2)cc1 181678959 REGDPZSXZIXMPG-ZDUSSCGKSA-N 283.327 3.764 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2CCCOc3ccccc32)C1 185809489 PUXSIKXMMQYGPA-DZKIICNBSA-N 270.376 3.572 30 20 CHED Cc1nc2ccccc2nc1CSCC1(C#N)CCC1 419345034 JVGMRTIQWCAQKT-UHFFFAOYSA-N 283.400 3.865 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccsc1 75299317 NZPYHNORLZUCKD-JKSUJKDBSA-N 296.395 3.660 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 134834020 CWIRIUAOFAKDLD-GOEBONIOSA-N 272.392 3.724 30 20 CHED CC(C)(C)CC(=O)N(CCC#N)c1ccc(F)cc1 72678566 RRZZQYBKEJAMLS-UHFFFAOYSA-N 262.328 3.509 30 20 CHED N#CN(CCC1(C#N)CCCCC1)c1ccccc1 418930444 XPVKBNKALGTHGI-UHFFFAOYSA-N 253.349 3.838 30 20 CHED C[C@@H](NC(=O)[C@@H](C)c1cccs1)c1cccc(C#N)c1 75269214 SBRHJEJHTWVGJH-NWDGAFQWSA-N 284.384 3.601 30 20 CHED CCc1nc(CSCC2(C#N)CCC2)cs1 419386260 PQBPICJWDGUGST-UHFFFAOYSA-N 252.408 3.633 30 20 CHED N#CCOc1cc(F)ccc1N[C@H]1CCc2ccccc2C1 132913722 RHAMYEHFQXMOIJ-INIZCTEOSA-N 296.345 3.697 30 20 CHED Cc1occc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 47375813 KXUMGWOFEJYEKF-AWEZNQCLSA-N 276.295 3.626 30 20 CHED N#Cc1ccc(CN2CCc3cc(Cl)ccc3C2)s1 191613114 ORUPLNYZRUHEIT-UHFFFAOYSA-N 288.803 3.831 30 20 CHED CCCCCCCCCC(=O)NCc1ncoc1C 134368391 JVABKKCIKLBULD-UHFFFAOYSA-N 266.385 3.740 30 20 CHED CC(C)c1ccc(CSc2cncc(C#N)n2)cc1 420578211 ABVSCEHMSROOSK-UHFFFAOYSA-N 269.373 3.764 30 20 CHED CC1(C)CCC(/N=C(/O)[C@@H]2CCCSC2)(C(=N)O)CC1 329592042 BUSNSKXNUSAJIJ-LLVKDONJSA-N 298.452 3.960 30 20 CHED OC1=N[C@H](C/C(O)=N/C[C@H]2CCCC(F)(F)C2)CCC1 329548810 IWEVBZBIFKVGAE-QWRGUYRKSA-N 288.338 3.668 30 20 CHED C=CCC[C@H](CCC)NCc1cn2cc(C)ccc2n1 517448230 GZARAQNLFXPOQA-HNNXBMFYSA-N 271.408 3.867 30 20 CHED C#CCCCC(=O)N(Cc1ccccc1)Cc1ccco1 192075215 SBBLSXAMLKEBFK-UHFFFAOYSA-N 281.355 3.612 30 20 CHED O/C(=N/C1CCCCCC1)c1cc2nc[nH]c2cc1F 329330054 VOHOUGNOWOIGOB-UHFFFAOYSA-N 275.327 3.729 30 20 CHED C=CCCCCSCc1ncnn1C(C)(C)C 514591269 RROQYMHRLKGBEC-UHFFFAOYSA-N 253.415 3.623 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccccc1Br 44764965 DOYNACSZEQDGFU-UHFFFAOYSA-N 295.180 3.718 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1[N+](=O)[O-] 194973325 KEDCFKWCFZJDOB-CYBMUJFWSA-N 295.342 3.659 30 20 CHED C[C@@H]1CC[C@H](N[C@@H](C(=N)O)c2ccc(C#N)cc2)[C@H](C)C1 331114861 KFRMPYJHRCSTDR-AVRGHOLYSA-N 285.391 3.549 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2)nc2ccccc12 192652367 AEDYONIKRFXWOH-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(N2CCCC2)cc1 190498138 FGUMDRVOTOQIOL-SFHVURJKSA-N 286.419 3.505 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC2CCC1CC2 425116629 VXGURIXAJVAZDD-UESGHJTASA-N 296.414 3.904 30 20 CHED Cc1ccc(CCC(=O)N(C)c2cccc(C#N)c2)c(C)c1 143579579 RBGFPNUSKDCLGB-UHFFFAOYSA-N 292.382 3.771 30 20 CHED CC(C)(C)c1csc(NC(=O)c2ccc(C#N)s2)n1 336490433 PWVIOAPPNAKLFV-UHFFFAOYSA-N 291.401 3.626 30 20 CHED C=CCC1(C(=O)N[C@H](C)CCCC(F)(F)F)CCC1 427737616 VRNDGQXTOPSMDL-LLVKDONJSA-N 277.330 3.970 30 20 CHED CSc1ccc(Cl)cc1NC(=O)[C@@]1(C#N)C[C@@H]1C 334517867 OKUWMQNHXUEINM-ISVAXAHUSA-N 280.780 3.550 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 424979797 SLGJKGFQPDDSKU-JLJPHGGASA-N 284.403 3.551 30 20 CHED N#Cc1cccc(CN[C@H](c2cccs2)C2CC2)c1 50499389 GVCDLUVAUOYWEL-INIZCTEOSA-N 268.385 3.861 30 20 CHED CC(=O)c1cccc(C(F)(F)F)c1OCCCC#N 439265280 KUHCSWBIHVPXJG-UHFFFAOYSA-N 271.238 3.591 30 20 CHED C=C(C)[C@@H](NCC[C@H]1CCOC1)c1ccc(F)c(F)c1 437985942 LESGADCIXPCOQG-BLLLJJGKSA-N 281.346 3.598 30 20 CHED COc1cc(F)ccc1NC1CC(C#N)(c2ccccc2)C1 237186254 LTBTYVNTVZYPJO-UHFFFAOYSA-N 296.345 3.870 30 20 CHED N#CCc1ccc(C(=O)N2CCc3ccc(Cl)cc32)cc1 335932268 UPUJVLBAZCIUNE-UHFFFAOYSA-N 296.757 3.609 30 20 CHED C=C(C)[C@H](NCC[C@H]1CCOC1)c1ccc(F)c(F)c1 437985943 LESGADCIXPCOQG-LRDDRELGSA-N 281.346 3.598 30 20 CHED N#CC1(C(=O)Nc2cnc(-c3ccccc3)s2)CCCC1 92505204 YVOJCAGFCHRLTC-UHFFFAOYSA-N 297.383 3.833 30 20 CHED Cc1[nH]c2ccc(F)cc2c1CCN[C@@H]1CCC[C@@H](C#N)C1 527997047 SVVLMFOTEPGFQY-UKRRQHHQSA-N 299.393 3.830 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCOc2c(F)cccc21 437075761 MFDRDXDZRCFJKB-YWPYICTPSA-N 263.356 3.840 30 20 CHED N#CCOc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 249336915 ZJQIRKNMFSONHB-LZBKUMLDSA-N 296.414 3.503 30 20 CHED C=CCN(Cc1nc2ccc(F)cc2s1)C1CC1 432924997 PSIPJNNXIWORLR-UHFFFAOYSA-N 262.353 3.586 30 20 CHED N#Cc1ccc(NC(=O)Cc2cccc(C(F)F)c2)cc1 436359461 MBZDFFZOWXHRIF-UHFFFAOYSA-N 286.281 3.677 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)CCc1cccc(F)c1 248396426 ZYPLQVGQCMUFQH-ZIAGYGMSSA-N 262.372 3.628 30 20 CHED CCCCCCCC(=O)Nc1nnc(C2CC2)s1 248237981 CWIKMPKDSHPAQW-UHFFFAOYSA-N 267.398 3.715 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)[C@H]1CC12CC2 527864730 SUGNNYFVBXXNAP-DZGCQCFKSA-N 257.377 3.530 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)CSC)CCCC1(C)C 347418969 BBVCDFUJJBRARP-OLZOCXBDSA-N 269.454 3.579 30 20 CHED C=CCOc1ccc(CN(CC=C)CCC#N)cc1Cl 430086749 QJOKOECYXQAOES-UHFFFAOYSA-N 290.794 3.806 30 20 CHED CSc1cc(C)ccc1CNc1snc(C)c1C#N 342568915 NQGAODWHLUPPBV-UHFFFAOYSA-N 289.429 3.966 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCOc2c(Cl)cccc21 602530727 RZARAGXHWRHRHJ-RISCZKNCSA-N 278.783 3.693 30 20 CHED COc1ccc(C#N)cc1CN1Cc2cccc(Cl)c2C1 347462984 MEIWOJPBZVHEMR-UHFFFAOYSA-N 298.773 3.736 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc2ccccc2s1 608824507 ZLYURAGHEPNZTO-GFCCVEGCSA-N 272.373 3.569 30 20 CHED Cc1ccccc1CN(CCCSCC#N)C1CC1 342075434 MLEGWQVEDBEGFZ-UHFFFAOYSA-N 274.433 3.606 30 20 CHED N#Cc1cc(NCC#Cc2ccc(F)cc2)ccc1Cl 433408106 AKWGCVYLLATECD-UHFFFAOYSA-N 284.721 3.814 30 20 CHED C=C(C)CCc1noc(-c2cnn(C(C)C)c2C2CC2)n1 347248341 RZHOXKTYEHCUEE-UHFFFAOYSA-N 286.379 3.900 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1ccc(CC(C)C)cc1 255729419 JHNZSFOAUASWDN-KTKRTIGZSA-N 282.387 3.823 30 20 CHED C=CCCCSCCOc1ccccc1OC 522756759 FLOHARDZSJFDIE-UHFFFAOYSA-N 252.379 3.773 30 20 CHED C[C@H](CNc1cc(C#N)ccn1)Sc1ccccc1 342292885 LXHIZIZLPQROMA-GFCCVEGCSA-N 269.373 3.546 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(OC(C)(C)C)cc1 604901251 SILRIRKJSIPKPZ-ZDUSSCGKSA-N 290.407 3.628 30 20 CHED C=CC[C@H](C)NC(=O)NC(CC(C)C)CC(C)C 522631159 NEMLOUMSFNEUMX-ZDUSSCGKSA-N 254.418 3.711 30 20 CHED C=CC1CCN(CCOc2c(C)cccc2C)CC1 523607500 DUHRSFPMQRYKHA-UHFFFAOYSA-N 259.393 3.580 30 20 CHED CCN(CC)Cc1cccc(NC[C@H](C)CCC#N)c1 602486232 XLYZRVIULZHWIA-OAHLLOKOSA-N 273.424 3.880 30 20 CHED C=CCC1(C(=O)Nc2ncsc2C)CCCCC1 529543984 OJIHBXGSOOSYKU-UHFFFAOYSA-N 264.394 3.917 30 20 CHED C=C(C)CCNC(=O)CSc1ccc(Cl)cc1 448551166 UHCFOUWLBQOQCV-UHFFFAOYSA-N 269.797 3.515 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)CC1(CC#N)CC1 602832568 JPPIGTSAHKRGKY-HNNXBMFYSA-N 272.392 3.772 30 20 CHED N#Cc1cccc(CNc2cccc(OC3CCCC3)c2)n1 602483122 FPUHZGVNJMRLPV-UHFFFAOYSA-N 293.370 3.887 30 20 CHED COCCCCON=Cc1cccc(Cl)c1Cl 255501738 WWTIHYZZSGXEJL-UHFFFAOYSA-N 276.163 3.771 30 20 CHED Cc1ccccc1-c1csc(NC(=O)CCCC#N)n1 359998895 FTLRLQJXMATAJA-UHFFFAOYSA-N 285.372 3.751 30 20 CHED CC[C@H](NCCc1ccc(OC)cc1)c1ccc(C#N)cc1 447519933 RQGGXXWTKDFZAP-IBGZPJMESA-N 294.398 3.850 30 20 CHED C=CCCC1(C(=O)N(C)Cc2ccccc2C)CC1 353565991 VTOVGOVIJWEVQX-UHFFFAOYSA-N 257.377 3.700 30 20 CHED CCCCOc1cccc(NCc2cccc(C#N)n2)c1 602487272 JUFVDEXMHHFXAI-UHFFFAOYSA-N 281.359 3.744 30 20 CHED C=CC[C@@H](C(=O)Oc1ccccc1)c1ccccc1 606523116 AYPKETNUALHMLM-MRXNPFEDSA-N 252.313 3.952 30 20 CHED COc1cc2ccccc2cc1CN(CCC#N)CC1CC1 449022856 LCURRXRRKXQLCV-UHFFFAOYSA-N 294.398 3.974 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CCCc1ccc(Cl)cc1 608825157 XEZFTHJVYPHIIE-OAHLLOKOSA-N 292.810 3.717 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)nc1 350653221 DAVCLTVODLOSNE-UHFFFAOYSA-N 293.414 3.920 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 446640707 YNMISSXPZANUBK-ROUUACIJSA-N 298.430 3.781 30 20 CHED N#Cc1cccnc1/C=C\c1cc(F)c(F)cc1F 352009345 WDLQGFXSPYEYGL-ARJAWSKDSA-N 260.218 3.541 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CC(C)(C)C1 351599049 AMKTWIGHUNEFRM-UHFFFAOYSA-N 284.403 3.731 30 20 CHED C=CCN(Cc1ccnn1C1CCCC1)CC(F)(F)F 449015811 CWVPEAYMFIRFDK-UHFFFAOYSA-N 287.329 3.549 30 20 CHED C=CC(C)(C)CN[C@@H]1CCC[C@@H](CCCC(=O)OC)C1 449483411 AHAARCJSCXRMQK-LSDHHAIUSA-N 281.440 3.690 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cc[nH]c1CC 350719245 HXMONKJXDKCIQZ-UHFFFAOYSA-N 286.350 3.545 30 20 CHED C=C(C)CN[C@H](COc1ccccc1F)C(C)(C)C 539493683 QFQITWFCNLROCC-OAHLLOKOSA-N 265.372 3.785 30 20 CHED COc1ccsc1/C=C\c1nc2ccccc2n1CC#N 352021853 SAYRMRJWLHIZPL-SREVYHEPSA-N 295.367 3.800 30 20 CHED C=CCOc1ccc(CN[C@@H](C)CC(C)(C)O)cc1Cl 449450591 OWIURRWRYHQSLO-LBPRGKRZSA-N 297.826 3.544 30 20 CHED N#Cc1ccc(N2CCS[C@H](c3ccccc3)C2)cc1 611030403 RGCORWLPVNLSDP-KRWDZBQOSA-N 280.396 3.853 30 20 CHED C=C(C)C[C@H](C)c1nc(CC2CC(F)(F)C2)no1 351168099 NXZQXYQEVMXFOH-VIFPVBQESA-N 256.296 3.727 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)CCCC1 450447205 UHUMRBZSQNNJLZ-CVEARBPZSA-N 293.451 3.833 30 20 CHED C[C@H](CC#N)N(C)C(=O)/C=C/c1c(Cl)cccc1Cl 264067821 NGAXXAUYLKEQBE-VQCYPWCPSA-N 297.185 3.767 30 20 CHED C[C@@H](c1cccc2ccccc12)N1CC[C@](F)(C#N)C1 615638301 GNMQZHNMFQAFDN-GUYCJALGSA-N 268.335 3.838 30 20 CHED CC(C)C[C@@H]1C[C@@H](Nc2ccc(F)cc2C#N)CCO1 538510351 CMTFTMHAUDBLBU-LSDHHAIUSA-N 276.355 3.703 30 20 CHED C=CCCCC[C@H](C)NCC1([C@H](O)C(C)C)CC1 453176377 MPVMPRWIZUSJSQ-LSDHHAIUSA-N 253.430 3.508 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2ccc(OC)cc2)CC1 450003178 GMDKHXBCIFRDAM-UHFFFAOYSA-N 287.403 3.613 30 20 CHED CCC(CC)c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1 547083296 VYVHLZHFYKUTIA-LLVKDONJSA-N 285.347 3.985 30 20 CHED C#CCCCCNC(=O)C[C@@H](C)c1c[nH]c2ccccc12 278990806 KXWDYQNXRBKJOA-CQSZACIVSA-N 282.387 3.581 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cc2ccccc2o1 450726580 VCNJDUHKTWZGIJ-GFCCVEGCSA-N 254.333 3.777 30 20 CHED C=CCN(C(=O)Nc1ccc(SC)cc1)C1CC1 271352845 JUCOFVUJDCEIKO-UHFFFAOYSA-N 262.378 3.591 30 20 CHED C=CCC[C@@H](C(=O)NC[C@H](CCC)OC)c1ccccc1 452297822 LJXUJCFHLWOCED-DLBZAZTESA-N 289.419 3.668 30 20 CHED N#C[C@H](NC(=O)C1=CCCCCC1)c1ccc(Cl)cc1 275007613 QPWGIIVVLJEFDG-HNNXBMFYSA-N 288.778 3.911 30 20 CHED C=CCC1(CNC(=O)C[C@H]2CCO[C@@H](CC)C2)CCCC1 456483609 HMVQPPVTFGBBHN-HOTGVXAUSA-N 293.451 3.834 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 276162526 RAEBHAIZGFZVPT-DZGCQCFKSA-N 276.767 3.623 30 20 CHED C=C(C)CCNCc1c(C)nc2scc(C3CC3)n12 459583684 SZVWNZDBJNECOM-UHFFFAOYSA-N 275.421 3.637 30 20 CHED Cc1cc(OCc2oc(C(C)C)nc2C)ccc1C#N 450925202 WVKFHGSWCBFWAO-UHFFFAOYSA-N 270.332 3.866 30 20 CHED N#CCCCNCc1cnc(C2CCCCC2)s1 542310229 ZKNVEJVXPFSDGW-UHFFFAOYSA-N 263.410 3.584 30 20 CHED C=CCCCC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 456567862 OVXPNRZPELNISJ-HNNXBMFYSA-N 259.349 3.690 30 20 CHED C=CC(C)(C)c1nc(-c2cccc(CN3CCCC3)c2)no1 453093525 NFHOTPGDUHIDNV-UHFFFAOYSA-N 297.402 3.796 30 20 CHED C=CCC1(NC(=O)c2ncccc2Cl)CCCCC1 456367356 NSQIUUJKXUPYDJ-UHFFFAOYSA-N 278.783 3.744 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(C)c1C)OCC 270149779 VKDHSZSSIWWCNZ-OAHLLOKOSA-N 261.365 3.613 30 20 CHED C=CCCC[C@H](C)NC(=O)C(C)(C)Oc1ccc(F)cc1 540530687 FIRHGTYWGOTEII-ZDUSSCGKSA-N 293.382 3.844 30 20 CHED C=CC(C)(C)CNC(=O)CCSCc1ccccc1 452774109 KGWSLZRNJAPHIH-UHFFFAOYSA-N 277.433 3.638 30 20 CHED COc1ccc([C@@H](NCCC(C)(C)C#N)C(C)C)cc1 272026481 OAGXISVCLYFQFX-INIZCTEOSA-N 274.408 3.922 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@H](c2ccccc2)C1 452160532 MLUKXKZMUWXSKG-HNNXBMFYSA-N 257.377 3.605 30 20 CHED CC[C@H](N[C@H]1CCN(C2CCCC2)C1)c1ccc(C#N)cc1 370053284 NEQIAMZZGAZREW-HKUYNNGSSA-N 297.446 3.616 30 20 CHED N#CCc1ccc(CSc2nncc3ccccc23)cc1 541291783 AAAOWDTYYSKNEJ-UHFFFAOYSA-N 291.379 3.988 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](OC)c1ccc(Cl)cc1 468012668 XJBJCZIAZCGPGC-ZBFHGGJFSA-N 295.810 3.746 30 20 CHED CS[C@@H](CN[C@H](C)c1cccc(C#N)c1)C(C)(C)C 543426263 MCODKMGGXYYQKO-DOMZBBRYSA-N 276.449 3.987 30 20 CHED COc1ccc2c(c1)C[C@@H](C)N(CCC(C)(C)C#N)[C@@H]2C 543846279 ADGKKOFJMMXBQD-ZIAGYGMSSA-N 286.419 3.943 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCC[C@H]2CC)cc1 465044675 WNZPADXSJYXKSC-CJNGLKHVSA-N 273.376 3.560 30 20 CHED CC#CCCCC(=O)N[C@H]1CCC[C@@H]1CCC(C)C 464440269 HULMMGSDEWJVRY-CVEARBPZSA-N 263.425 3.901 30 20 CHED C=CCn1c(CCCC)nnc1Nc1ccc(OC)cc1 463105112 DTRXRYVTQVIBSM-UHFFFAOYSA-N 286.379 3.559 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccccc1O 374267144 DGKNPZFFPBRVSL-ROUUACIJSA-N 292.382 3.664 30 20 CHED C=CCCCCNCc1cc(C)c(Br)cn1 623494723 AANDQENLQSAVFH-UHFFFAOYSA-N 283.213 3.598 30 20 CHED Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1C 551230043 ICOURSQJAIRYLG-UHFFFAOYSA-N 276.383 3.954 30 20 CHED C[C@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccccc1 377001609 JHTJBVDPCWWSPI-HOCLYGCPSA-N 299.418 3.719 30 20 CHED C[C@@H](C(=O)N1CCC(C)(C2CC2)CC1)c1cccc(C#N)c1 462448017 QFOWPGWPKYTLPZ-CQSZACIVSA-N 296.414 3.700 30 20 CHED Cc1cc(N2CCC[C@H]2c2ccccc2C)cc(C#N)n1 557493687 SQCLPPHJJSYKSO-SFHVURJKSA-N 277.371 3.912 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)c2cc(C#N)oc2C)cc1 280510413 CWHOFBABZFAUOY-NSHDSACASA-N 298.342 3.889 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 464751353 OCMWNOYAICQWGX-NEPJUHHUSA-N 272.348 3.710 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)N1CCC(CC#N)CC1 551944652 FHXRSLOBSAJOKV-UHFFFAOYSA-N 299.418 3.533 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2C[C@H]2c2ccccc2)no1 289234864 OIRBKUWQBCGROY-QKPAOTATSA-N 296.370 3.789 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)c1ccc(C)cc1C 280522501 FBXOLEIMLZSAKN-UHFFFAOYSA-N 282.343 3.743 30 20 CHED C=CCCCCNC(=O)N(CC)CCc1cccs1 474073717 JHBCXKVJAHXWHA-UHFFFAOYSA-N 280.437 3.678 30 20 CHED C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(C#N)cc1Cl 551302605 VNHVXZFJPKTYPJ-FZQKWOKYSA-N 266.747 3.753 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CCCSCC#N 296531987 AZIFSVYDNHCCFT-BFYDXBDKSA-N 288.460 3.900 30 20 CHED N#Cc1ncccc1NC[C@@H]1CCCO[C@H]1c1ccccc1 290624927 LVUBPJDROATBQZ-YJBOKZPZSA-N 293.370 3.533 30 20 CHED C[C@@](C#N)(NC(=O)C1CCCCCC1)C1CCCCC1 555902506 HKCPCFGNXFMFQA-KRWDZBQOSA-N 276.424 3.936 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CCCCC[C@H]1CC(C)C 556300454 YDWHVKLDPNLZBA-INIZCTEOSA-N 299.418 3.693 30 20 CHED CCC(O)(CC)CCNc1c(Cl)cccc1C#N 472443969 YAFGINJTWOFXSF-UHFFFAOYSA-N 266.772 3.565 30 20 CHED CCCCCCC[S@](=O)Cc1scnc1C 290666567 OMOYPSFFJGVDDB-INIZCTEOSA-N 259.440 3.671 30 20 CHED C=CCOCCCc1nc(C2(c3cccc(C)c3)CC2)no1 290034516 GHUIIGPCWFYVLL-UHFFFAOYSA-N 298.386 3.593 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NNCC1CCCC1 808006591 WFUPCMQUESZJJZ-UHFFFAOYSA-N 296.418 3.603 30 20 CHED C=CCOCCCN(CC=C)Cc1ccc(Cl)s1 470723262 OIJZEXUKDZVCSE-UHFFFAOYSA-N 285.840 3.982 30 20 CHED C#CCOc1ccccc1CN(C)C1CCC(F)(F)CC1 809782514 WZBVACITGQQMCZ-UHFFFAOYSA-N 293.357 3.708 30 20 CHED C#Cc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1 809583271 JXQOTRKKPPKJLD-IAGOWNOFSA-N 271.429 3.528 30 20 CHED C#Cc1ccc(CNc2ccc(C)c(NC(C)=O)c2C)cc1 809597696 MAKJMHKQIVQNOM-UHFFFAOYSA-N 292.382 3.855 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1nccn1-c1ccccc1 805529828 JYKRELARNYRLDT-CQSZACIVSA-N 296.370 3.526 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1nccn1-c1ccccc1 805529826 JYKRELARNYRLDT-AWEZNQCLSA-N 296.370 3.526 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1sc(CCOC)nc1C 293667924 JEXXIJXZWMHGNG-LBPRGKRZSA-N 296.480 3.893 30 20 CHED Cc1coc(-c2cc(NC(=O)CCCC#N)ccc2C)n1 291876691 IQRNXFQLDZZITQ-UHFFFAOYSA-N 283.331 3.591 30 20 CHED C#C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1)C(C)(C)C 808314877 LCXWBWFNIPIRCU-OIISXLGYSA-N 298.430 3.827 30 20 CHED CC(C)C[C@H](C)CC(=O)N1CCC(CCC#N)CC1 569121691 BYLBHWKLRRAUJT-AWEZNQCLSA-N 264.413 3.601 30 20 CHED C#Cc1ccc(CN2CC(C)(C)[C@@H]2c2cccnc2)cc1 814171244 MIWJNSNWUFGZFE-SFHVURJKSA-N 276.383 3.646 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](CC)OC1CCCCC1 489768742 NSYDVMUKTXXIDM-OAHLLOKOSA-N 281.440 3.833 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](CC)CC1CCCCC1 561014683 GESFERCQWGOGIS-INIZCTEOSA-N 276.424 3.911 30 20 CHED COc1cccc(O)c1C=Nc1ccc(Cl)cc1 812387375 LEOCZXCNNOSOMJ-UHFFFAOYSA-N 261.708 3.805 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1ccc2c(C)cc(=O)oc2c1 814129457 CZPGFNVEDDUIML-UHFFFAOYSA-N 299.370 3.667 30 20 CHED Clc1c[nH]ccc1=NN=C1CC(c2ccccc2)C1 814868959 OKAUDCVULISGIB-UHFFFAOYSA-N 271.751 3.502 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2cccc(F)c2C1 572866896 XFILWLPGOLSGQE-ZDUSSCGKSA-N 290.382 3.638 30 20 CHED C=CCc1cccc(F)c1OC(=O)OCC(F)(F)F 819886023 ONWNNSYXHIAFHY-UHFFFAOYSA-N 278.201 3.632 30 20 CHED C=CCCCCOC(=O)CSc1ccc(OC)cc1 811012579 PINHTQUGBFFQQI-UHFFFAOYSA-N 280.389 3.687 30 20 CHED CC(=NNC[C@H]1CCSC1)c1sc(C(C)C)nc1C 811659850 ZXCFPVXWFJIRCA-GFCCVEGCSA-N 297.493 3.642 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(Oc2ccccc2)nn1 489392634 AVQVZIADHOQHBG-INIZCTEOSA-N 295.386 3.809 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CC(C)(C)c2ccccc21 815841107 RHLZUMIYLPUMDI-ZDUSSCGKSA-N 279.330 3.737 30 20 CHED CCC(=NNC[C@@H]1CCSC1)c1ccc(Cl)s1 811662326 ILCDUIVXMPRTSS-VIFPVBQESA-N 288.869 3.858 30 20 CHED N#CC1(c2ccccc2)CCC(NC2(CF)CCC2)CC1 570094328 WUCWHELBELYIDK-UHFFFAOYSA-N 286.394 3.872 30 20 CHED CC(C)[C@H](NCc1ccc(C#N)cn1)c1ccc(F)cc1 574336284 NBBOSEGTKOKLKP-KRWDZBQOSA-N 283.350 3.579 30 20 CHED CC/C(C)=C(\C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 819736331 HXMKPOQLZTYVSF-FNDVETGQSA-N 270.376 3.824 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2ccc(F)c(F)c2F)C1 814945845 SWOBWEKWSULIMX-RKDXNWHRSA-N 256.271 3.938 30 20 CHED N#Cc1cccc(Cl)c1N1CCCC2(CCC2)C1 480371865 VTEMIIHRFLIVMM-UHFFFAOYSA-N 260.768 3.982 30 20 CHED C=CCCCCCN1CCC(n2cc(Cl)cn2)CC1 488313131 WFEPVZCOZMTGCB-UHFFFAOYSA-N 281.831 3.920 30 20 CHED CC(C)C(C)(C)NC(=O)N[C@@H](CCC#N)c1ccccc1 571147373 PQLVWRSXGBJITN-HNNXBMFYSA-N 287.407 3.765 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1 573789795 WVIPVVQDAOTXMR-DVOMOZLQSA-N 282.387 3.862 30 20 CHED C#Cc1cccc(NC(=S)N(C)C2CCC(C)CC2)c1 726444506 WMVTUDRJQNVJAN-UHFFFAOYSA-N 286.444 3.875 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CCC)CC(C)C 572866726 OCGFIZGJIGHWHR-AWEZNQCLSA-N 254.418 3.809 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)CC(C)(C)O2 572003631 PQMPAAIQBKBQSS-HNNXBMFYSA-N 285.387 3.581 30 20 CHED CC(=NNc1ccccc1F)c1ccc(F)cc1O 727777215 LKERLPMPLNMAKD-UHFFFAOYSA-N 262.259 3.507 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 823299790 FDDITSWGPAASIB-UHFFFAOYSA-N 282.727 3.789 30 20 CHED C=CCC[C@H](NC[C@H](C#N)CCC#N)c1ccccc1 570710966 PAQJGHHQYXSWNH-RDJZCZTQSA-N 267.376 3.727 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(C#N)cc1OC 576636017 JJAGVIZYYJVLNJ-VXGBXAGGSA-N 289.379 3.513 30 20 CHED CCCCOc1cc(C=NNC2CCCC2)ccc1OC 727652047 HCQHVXHANCLHMF-UHFFFAOYSA-N 290.407 3.740 30 20 CHED CCCc1ccc(/C=C2\CCn3ccnc3C2=O)s1 901538602 ZCOQUUHPAYFSON-ZHACJKMWSA-N 272.373 3.567 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc3nc(C)oc3c2)C1 665451612 SBXRVVPITLWCOM-CYBMUJFWSA-N 299.374 3.956 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc3scnc3c2)C1 905936244 VAJHKXDEHYSPFJ-PWSUYJOCSA-N 286.356 3.535 30 20 CHED C=C(C)CNc1ccc(F)cc1OCC(F)(F)F 733793484 FJTMOUBXCUCZGJ-UHFFFAOYSA-N 263.234 3.755 30 20 CHED CCC1(CC)CCN(C(=O)c2ccsc2C#N)CC1 907508457 WFXUIVADTBNXOT-UHFFFAOYSA-N 276.405 3.662 30 20 CHED Cc1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1F 731489380 FBZQAUSAKSLYTD-KPKJPENVSA-N 286.277 3.932 30 20 CHED CCCC(=NNc1ccc(F)cn1)c1ccccc1 731318739 LPKGVGKTRAONFF-UHFFFAOYSA-N 257.312 3.837 30 20 CHED CCc1ncc(C(=O)OCCCCC2(C#N)CCC2)s1 908951365 DXGOMTJQFAOBOW-UHFFFAOYSA-N 292.404 3.726 30 20 CHED CC(=NNc1cc(F)ccc1F)c1coc(C(C)C)n1 901319792 FKEZRKUCGHUZSS-UHFFFAOYSA-N 279.290 3.912 30 20 CHED C#Cc1cccc(CN[C@H](CC)c2ccc(N(C)C)cc2)c1 834904644 ZYCQZOKYWRGPOV-HXUWFJFHSA-N 292.426 3.975 30 20 CHED O=C(c1cccc(C(F)F)c1)N(O)Cc1ccc(F)cc1 901374106 DMVAFVZWGNIISJ-UHFFFAOYSA-N 295.260 3.795 30 20 CHED Cc1sc(C(=O)O)cc1CSc1cccc(C#N)c1 833031841 SQKFZXWKJFAOLX-UHFFFAOYSA-N 289.381 3.919 30 20 CHED C#CCC(C)(C)C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 833612214 OMNLTKFMOQUPEQ-SJORKVTESA-N 283.415 3.736 30 20 CHED CC[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(F)(F)F 835655968 DJRAEWYYIQYUIT-OLZOCXBDSA-N 299.292 3.958 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(F)cc1Br 903102348 WPBFVXWHZMJVPL-SECBINFHSA-N 297.171 3.543 30 20 CHED Cc1cn(-c2ccccc2)nc1NC(=O)CCCCCC#N 588351335 CACFEGOEDDNZHJ-UHFFFAOYSA-N 296.374 3.593 30 20 CHED Cc1nc2ccccc2cc1OCc1ccc(C#N)cc1 584023161 ZWRXLQNZKBPMAO-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C#CC1CCN(Cc2ncc(-c3ccccc3)s2)CC1 830343004 JBMMPODMFWBAAE-UHFFFAOYSA-N 282.412 3.655 30 20 CHED C=CCCC(=O)Nc1cc(C(C)(C)C)ccc1OC 588015101 QVSAOFCCQIJPDT-UHFFFAOYSA-N 261.365 3.897 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1ccc(SCC)cc1 736398702 CSGPEAAABBMQAY-LLVKDONJSA-N 298.839 3.911 30 20 CHED N#CCCCOc1cccc(NC[C@H]2CC2(Cl)Cl)c1 917820974 PWFXPTNPTOKVRU-LLVKDONJSA-N 299.201 3.975 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2ccc(Cl)c(F)c2)C1 839059428 POSPMXNCUDQRMU-NWDGAFQWSA-N 295.741 3.647 30 20 CHED CCc1nnc(S)n1N=C/C=C(/C)CCC=C(C)C 916300984 KKIMQHUANVKJES-ZDDADBLPSA-N 278.425 3.656 30 20 CHED CC[C@H](CC#N)Nc1ncnc2ccc(C(C)C)cc12 596198992 ZNVOSLKZRFWZMC-CYBMUJFWSA-N 268.364 3.857 30 20 CHED Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CC#N)C1 596447826 SCEZTIUKJGXOSG-GFCCVEGCSA-N 291.782 3.806 30 20 CHED CC(CCc1ccco1)=NNc1ccc(Cl)nc1 743449703 FJLINKKVKZFCNN-UHFFFAOYSA-N 263.728 3.749 30 20 CHED C=CCCCC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 748294876 GYSMOISPLYHILV-INIZCTEOSA-N 257.377 3.952 30 20 CHED CC(C)(C)[C@H]1CCCC(=NNc2ncccn2)CC1 746563585 CTIRZQAFGZUGGM-LBPRGKRZSA-N 260.385 3.871 30 20 CHED C#CCCCNC(=O)c1ccccc1SCc1ccco1 742786204 ORFZLJOLWIELHQ-UHFFFAOYSA-N 299.395 3.715 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC2(CC1)CC2(F)F 593072254 FDJNINKDWJXSJC-UHFFFAOYSA-N 296.748 3.833 30 20 CHED C=C(C)CON=CC(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1 844618756 GUHKHSYCJSQSIT-OAHLLOKOSA-N 290.363 3.652 30 20 CHED N#Cc1c(COc2cccc3cnoc23)cn2ccccc12 590585241 UPNDCYUTJXGYDV-UHFFFAOYSA-N 289.294 3.531 30 20 CHED N#Cc1ccc(Cn2cc(C3CCCCCC3)nn2)c(F)c1 594650094 QNDRIMNGUNAMDL-UHFFFAOYSA-N 298.365 3.775 30 20 CHED COc1cccc(/C=N\[C@H](C)Cc2ccccc2C)c1O 917556629 FZYWAZGPCLSUAT-VCRXTVNUSA-N 283.371 3.759 30 20 CHED CC(C)C[C@@H](C(=O)N[C@@H](C)CC#N)c1ccc(Cl)cc1 596998782 QQEJPTJHWROBDS-SWLSCSKDSA-N 292.810 3.888 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1coc(-c2cccnc2)n1 849850811 BDVKJCPWWKKJMB-GFCCVEGCSA-N 286.331 3.638 30 20 CHED COc1ccnc(NN=C(CCc2ccccc2)C(C)C)n1 917547739 BITHEHDYEKKZLM-UHFFFAOYSA-N 298.390 3.542 30 20 CHED CC/C(=C\C(=O)N(C)[C@@H](C#N)CC)c1ccc(C)cc1 847168019 KVQHKTRVXWQHPR-WSYSLRRZSA-N 270.376 3.549 30 20 CHED CC(C)=C(C)C(=O)N[C@H](CCC#N)c1ccccc1 749046607 ZEPDNQDRAUNFDY-OAHLLOKOSA-N 256.349 3.504 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H](C)c2cccc(C#N)c2)c1 743501967 UIMWWICHWQIUBQ-UAAGNOOKSA-N 294.354 3.843 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(NC2CCCCC2)cc1 593444077 LRYAIKUGUSIFAF-ZDUSSCGKSA-N 285.391 3.919 30 20 CHED CCC[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 912077854 LQOZQVCBRZJLDR-CZUORRHYSA-N 285.391 3.593 30 20 CHED C[C@H]1CC(=NNc2ccc(Cl)c(Cl)c2)CO1 842524452 CDXMPXVZSGQOND-ZETCQYMHSA-N 259.136 3.570 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC(C)(C)C[C@@H]2C)cc1 840970758 WVBFADVXNGKRHO-KBPBESRZSA-N 272.392 3.598 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1ccnn1CC1CC1)C2=O 849249644 KEQSNQOXQCZESI-MHWRWJLKSA-N 292.382 3.732 30 20 CHED C=CCCCC(=O)OCC(=O)c1cc(C)c(C)cc1C 748238882 AMWNWQJMVMBQQC-UHFFFAOYSA-N 274.360 3.694 30 20 CHED CC(C)[C@H](C(=O)Oc1ccc(C#N)cc1)c1ccccc1 744017269 BKPREEIZOYZFCO-KRWDZBQOSA-N 279.339 3.903 30 20 CHED Cc1ccc(-c2csc(CN(C3CC3)[C@H](C)C#N)n2)cc1 595710986 YVERXYAZQUBZTM-CYBMUJFWSA-N 297.427 3.995 30 20 CHED CCCCCCCC(=O)N1CCC[C@H](OC(C)C)C1 844768199 MGIVQHBYQLNXOB-HNNXBMFYSA-N 269.429 3.763 30 20 CHED C#CC(C)(C)N(C)Cc1cc(-c2ccccc2Cl)on1 842156347 KOWQXGXSOODOJK-UHFFFAOYSA-N 288.778 3.839 30 20 CHED C=C1CCN(C(=O)c2ccc(CCCC)cc2)CC1 594846232 FHMFSYROYUQZRS-UHFFFAOYSA-N 257.377 3.821 30 20 CHED C=CCC[C@H](C)OC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F 845315822 OBJIIYRDABBFSS-SRVKXCTJSA-N 294.313 3.632 30 20 CHED CCOc1cccc(Cl)c1CN(C1CC1)[C@@H](C)C#N 595709699 ITSBMWCSCYZYLH-NSHDSACASA-N 278.783 3.615 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccccc1N(C)C 741157008 CLOYMFLSLLLXOW-UHFFFAOYSA-N 296.389 3.527 30 20 CHED FC(F)Oc1cccc(C=NOCc2ccccc2)c1 747047080 QGKVXFCJWFXSDM-UHFFFAOYSA-N 277.270 3.839 30 20 CHED CCCCCCCCNC(=N)NC[C@@H]1CC1(Cl)Cl 849055924 LWZDXZIGWPASBL-NSHDSACASA-N 294.270 3.655 30 20 CHED CCOc1cccc(/C=N/CC(C2CC2)C2CC2)c1O 743044899 TXDUCBVRABGJJA-VCHYOVAHSA-N 273.376 3.646 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Oc1cccc(OCC#N)c1 841344517 XTFZRFRQAICGHO-BBRMVZONSA-N 287.359 3.711 30 20 CHED C=C(C)CN(CC)Cc1cc(-c2ccc(OC)cc2)no1 685479569 ZKFQESMPYUSLQK-UHFFFAOYSA-N 286.375 3.748 30 20 CHED C=CCC(C)(C)CN[C@H](CCCN)c1ccccc1 925678705 WLPIPKHEKATREP-MRXNPFEDSA-N 260.425 3.659 30 20 CHED CN1CCCC(=NNc2cc(Cl)ccc2Cl)CC1 758117628 LTZYRSPSGNTCGR-UHFFFAOYSA-N 286.206 3.877 30 20 CHED C=CC[C@@H](C(=O)NCc1cc(C(C)C)no1)c1ccccc1 681660889 INKZPOBYYRJRTA-MRXNPFEDSA-N 298.386 3.774 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)OCC2(CC#N)CC2)cc1 750737254 MBXIOCYFDXHEMU-ZDUSSCGKSA-N 287.359 3.715 30 20 CHED C=CCCCCCN(C)C(=O)N(C)C(C)(C)CC 684910501 QHZFZGDRVBBGQT-UHFFFAOYSA-N 254.418 3.905 30 20 CHED CCSCCSc1nc(C#N)c(Cl)s1 853478547 JUKCXJIEVOBTIL-UHFFFAOYSA-N 264.828 3.513 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(C)c([N+](=O)[O-])c1 920384146 QJBBMOKAWMIZBX-UHFFFAOYSA-N 287.294 3.878 30 20 CHED Fc1cc(F)cc(C=NNCCCc2ccccc2)c1 755696473 OQLPCNNRIOYSPO-UHFFFAOYSA-N 274.314 3.521 30 20 CHED COc1ccc(NN=C2CCCOc3cc(C)ccc32)cc1 750924913 ODQXKVZCCDIPKE-UHFFFAOYSA-N 296.370 3.992 30 20 CHED C#CC[C@@H](Nc1ncnc2ccc(F)cc12)c1ccccc1 756952921 GBDHBIDGTGOUMZ-MRXNPFEDSA-N 291.329 3.945 30 20 CHED CC(=NNc1cc(C)ccn1)c1ccc(C)c(C)c1O 755900455 KUGQDJNFQFJSBA-UHFFFAOYSA-N 269.348 3.549 30 20 CHED C=CCCCOC(=O)C[C@H](C)c1ccc(OC)cc1 750538595 DRFUBLSJXLHCDS-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\Cc2ccccc2Cl)c1 920942598 LKGRWAZSADKORT-SXGWCWSVSA-N 290.706 3.573 30 20 CHED CC(C)(CCC(=O)N1CCC[C@H](C#N)C1)c1ccccc1 928222169 QRTZBTIXCOSMAM-OAHLLOKOSA-N 284.403 3.507 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)nc2)C1 853827483 YWVDSSNALCOICO-LLVKDONJSA-N 279.771 3.555 30 20 CHED COCC(C)=NN=C1c2ccccc2-c2ccccc21 750933324 CUGHSCITORJMMQ-UHFFFAOYSA-N 264.328 3.527 30 20 CHED CCN(CC#N)C[C@H](C)CSc1ccccc1C 859112662 PNKVOJNAEFHTMX-ZDUSSCGKSA-N 262.422 3.569 30 20 CHED C#C[C@H](Cc1ccccc1)OC(=O)CC1(C#N)CCCCC1 850905108 UEUCKQSOEDMASR-QGZVFWFLSA-N 295.382 3.638 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 753414444 YTZJXWUNIYNGGN-ZDUSSCGKSA-N 296.370 3.896 30 20 CHED CCCC1(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CCC1 759538997 PLRCZONRBCZOEW-GFCCVEGCSA-N 282.343 3.974 30 20 CHED Cc1nc(-c2ccccc2)oc1C(=O)OCCCCC#N 750946843 FUWLJPQNANHCLM-UHFFFAOYSA-N 284.315 3.501 30 20 CHED C[C@@H](OC(=O)CCCc1ccccn1)c1cccc(C#N)c1 759307115 SQMMDJPVQZYSNQ-CQSZACIVSA-N 294.354 3.580 30 20 CHED COc1ccccc1[C@@H](C)N(CCC(C)(C)C#N)OC 932544737 GIBHDQKVFDUTIV-CYBMUJFWSA-N 276.380 3.559 30 20 CHED C#Cc1ccc(C(=O)O[C@H](CC)c2ccc(C)cc2)nc1 768140361 OBEYTRTUADYDRK-QGZVFWFLSA-N 279.339 3.679 30 20 CHED CCc1c(C(C)=NNc2ncc(F)cn2)oc2ccccc12 760266185 RCPAPJXIIOQTIF-UHFFFAOYSA-N 298.321 3.760 30 20 CHED C#CCC(C)(C)C(=O)NCCC(C)(C)c1ccccc1 767067285 OKSGNXSJTZCKOT-UHFFFAOYSA-N 271.404 3.520 30 20 CHED CC#CC(=O)N[C@H](c1ccc(CCC)cc1)c1cccs1 764072637 CKJGRZZLVNIRRD-GOSISDBHSA-N 297.423 3.930 30 20 CHED CCOc1ccc(C=Nn2c(CC)nc3ccccc32)cc1 767358247 CAPMDPVESZUZMC-UHFFFAOYSA-N 293.370 3.880 30 20 CHED COc1cccc(NN=C(C)c2ccc(C)cc2O)c1 767231432 UBFOOLRKHAWUID-UHFFFAOYSA-N 270.332 3.545 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2ccc(Cl)s2)c1 763171227 LTFKWGMJZSHQKJ-NSCUHMNNSA-N 296.731 3.677 30 20 CHED CCc1ccc(C(C)=NNc2ncnc3ccsc23)o1 764836351 YGTHOKNRLFIPMG-UHFFFAOYSA-N 286.360 3.683 30 20 CHED CC(=NNc1ccccc1)c1ccc(O)c(Cl)c1 768763997 OVBBCBWZGVUSFG-UHFFFAOYSA-N 260.724 3.882 30 20 CHED C=CCNC(=S)N1CCCC[C@H]1c1ccc(F)cc1F 769788706 VQMZMUULIQXGGY-AWEZNQCLSA-N 296.386 3.552 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2cc(C)cc(C)c2)c1 766501907 KETUEHCBSYGTOU-PLNGDYQASA-N 284.311 3.579 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 763390138 SSXVSRDYWYBUCQ-QGZVFWFLSA-N 282.774 3.989 30 20 CHED CC(=NNc1cccc(C#N)c1)c1ccc(C)c([N+](=O)[O-])c1 767335986 KUSBMJMVHVKTLJ-UHFFFAOYSA-N 294.314 3.611 30 20 CHED CCCCCCCCNC(=O)CCc1nc(C)cs1 766843259 UKUCLXZBDWMCOZ-UHFFFAOYSA-N 282.453 3.861 30 20 CHED Cc1cc(/C=C2\Cc3c(F)ccc(F)c3C2=O)ccc1C#N 766491788 QWTXNIYKWRAOCN-NTUHNPAUSA-N 295.288 3.967 30 20 CHED C=CCCCOC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 766785575 VNNNEZBRLCFVFF-QWRGUYRKSA-N 284.277 3.717 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NN[C@@H]1CCO[C@H](C)C1 872364572 OGWQBVUIUAPKQW-GDBMZVCRSA-N 299.418 3.634 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)Cc1ccccc1CC#N 1117770681 LYQJPYAZRXVBHT-HNNXBMFYSA-N 284.403 3.546 30 20 CHED N#C[C@@H](OC(=O)c1cc(F)cc(F)c1)C1CCCCC1 776363548 FLQUUKCXQIPDCV-CQSZACIVSA-N 279.286 3.594 30 20 CHED O=C(O)c1cccc(/C=C/C(=O)c2cc(F)ccc2F)c1 774117486 DBEUJXIHEFGFFU-QPJJXVBHSA-N 288.249 3.559 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnc(Cl)cc1C 879195831 SKQAUAUXTQEVCA-UHFFFAOYSA-N 252.745 3.584 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2csc(C#N)c2)c(C)s1 1117790072 UUWRHWULTKFNDB-SECBINFHSA-N 290.413 3.789 30 20 CHED N#CCC1(CN(Cc2ccco2)Cc2ccccc2O)CC1 878240449 HWDUABRDHGPXME-UHFFFAOYSA-N 296.370 3.681 30 20 CHED CCCCS[C@H](C)C(=O)Nc1cc(C#N)c(F)cc1F 876344759 DXSSSMUBINNNKL-SECBINFHSA-N 298.358 3.697 30 20 CHED C=CCSCCN[C@H](CC)c1ccc(N(C)C)cc1 772954884 QFZCWCAOURLMQJ-MRXNPFEDSA-N 278.465 3.713 30 20 CHED CC(=NN[C@H]1CCCCC1(C)C)c1scnc1C 773126556 UMUJTXHFGROOKD-LBPRGKRZSA-N 265.426 3.734 30 20 CHED CC[C@@H]1CC[C@H](C)N1CC[C@@](C#N)(C(C)=O)c1ccccc1 878340194 JXDRHYBFLSEWSJ-KFKAGJAMSA-N 298.430 3.690 30 20 CHED C[C@@H](C#N)CNN=C1CCC[C@@H]1c1ccc(Cl)cc1 771098373 KOCBTRXHQOGDMQ-SMDDNHRTSA-N 275.783 3.713 30 20 CHED CCNc1ccc(C#N)cc1NCc1cccc(OC)c1 776850883 ZGHVPISNVIXCGW-UHFFFAOYSA-N 281.359 3.611 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccnc(Cl)c1 779461368 YXDVIYLMUTTXFR-RQOWECAXSA-N 279.673 3.909 30 20 CHED C=CC(C)(C)CC(=O)Oc1cccc(NC(=O)C2CC2)c1 888269116 QWAJUATYDJHEAI-UHFFFAOYSA-N 287.359 3.543 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(F)cc1OC(F)F 889246610 UOJLCFODQWWVHG-UHFFFAOYSA-N 287.281 3.968 30 20 CHED CC(C)(C#N)CCOC(=O)CSc1ccc(F)c(F)c1 776370369 YNPOMWLJODPFMH-UHFFFAOYSA-N 299.342 3.540 30 20 CHED CSCC[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 775391426 BGPRHADBAJDQRQ-LRDDRELGSA-N 274.433 3.667 30 20 CHED C=C1CCC(C(=O)N2CCc3c(F)cc(F)cc3C2)CC1 889577136 GLRMZDKRWPNFGB-UHFFFAOYSA-N 291.341 3.596 30 20 CHED C#CCCCCCC(=O)O[C@@H](C)c1ccc(OC)cc1 780018457 GZOIZNIYRQOUKZ-AWEZNQCLSA-N 274.360 3.883 30 20 CHED CCC[C@H](C)C(CC)=NN[C@@H](CO)c1ccccc1 788459242 DCHJUKVZNNQCBJ-BBRMVZONSA-N 262.397 3.512 30 20 CHED c1ccc(C2CCC(=NOC[C@@H]3CCOC3)CC2)cc1 788033653 JYKQOOMXZFZDKS-IURRXHLWSA-N 273.376 3.753 30 20 CHED CC[C@H]1CC[C@H](C(=O)O[C@H]2CCC[C@H](C#N)C2)CC1 1129609673 YNSCHJBBVCAWHU-AJNGGQMLSA-N 263.381 3.828 30 20 CHED C/C=C(/CC)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 789369911 YCRWSZHEHWWWCY-IMAIQDNJSA-N 288.347 3.968 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(C#N)cc2Cl)cc1 788360498 KQBMJUUBIIUEFN-SOFGYWHQSA-N 292.725 3.979 30 20 CHED N#CC1(Cc2cn(C/C(Cl)=C\Cl)nn2)CCCCC1 881429831 WICVAHLPGCSRSR-YRNVUSSQSA-N 299.205 3.614 30 20 CHED Cc1ccc(SCCOC(=O)CC(C)(C)C#N)cc1C 785085795 FYFRVOORFRTDPP-UHFFFAOYSA-N 291.416 3.879 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C/Sc1ccccc1 785857632 NVWLYHAWHCAHOH-YPDDLIOESA-N 273.401 3.860 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C)CC(C)(C)C#N 893421685 UHYQXKGFBPIFDG-GFCCVEGCSA-N 271.364 3.697 30 20 CHED C=C1CC(c2noc(-c3ccc(OC(C)(C)C)cn3)n2)C1 896876401 FSWSYOXBZKTYHS-UHFFFAOYSA-N 285.347 3.743 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(C)s1 787039110 XVFLTCJPOFKLQT-CHWSQXEVSA-N 278.421 3.868 30 20 CHED C=C1CCC(C(=O)N(CC)[C@H](C)C(F)(F)F)CC1 890340606 NAAGASCNXLIDLI-SNVBAGLBSA-N 263.303 3.532 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1cccc(Cl)c1 780188876 ZVXVCSIAOXZSJR-UHFFFAOYSA-N 272.735 3.808 30 20 CHED C=C1CC(c2noc(-c3ccc(C(F)(F)F)nc3)n2)C1 896885457 RAEOGEXEGNROHY-UHFFFAOYSA-N 281.237 3.584 30 20 CHED C=C1CC(c2noc([C@@H](C)Oc3cccc(F)c3)n2)C1 896883968 JPGQGQJPAZBLLZ-SNVBAGLBSA-N 274.295 3.782 30 20 CHED COc1ccsc1/C=C1/COc2cc(F)ccc2C1=O 794726283 AUNOVGDCQSQAGR-TWGQIWQCSA-N 290.315 3.555 30 20 CHED Fc1cccc(NN=Cc2ccc(-c3ccccc3)o2)n1 795007447 ZYAFTHXEBNIVQJ-UHFFFAOYSA-N 281.290 3.927 30 20 CHED CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(C)c(C#N)c1 799695447 JMHFQHZGQFXNHL-WMLDXEAASA-N 284.403 3.908 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCCC[C@H]2C)c1 1206298536 WVDYDBWHWMRUCD-UKRRQHHQSA-N 285.391 3.815 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3c(c2)CCCC3)n(C)n1 792905804 OOFNSEJMCYOQTJ-CSKARUKUSA-N 280.371 3.503 30 20 CHED CCc1cccc2c1OCCC2=NNc1cc(C)ccn1 794919347 WOHKVMREMXZPIW-UHFFFAOYSA-N 281.359 3.551 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)c1cn(C)nc1C 790209919 BBQNDWLICBTPKK-UHFFFAOYSA-N 297.189 3.871 30 20 CHED CC(=NNc1cccc(Cl)n1)c1coc(C(C)C)n1 793160754 DJLCVKVGPWIJIS-UHFFFAOYSA-N 278.743 3.683 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cc(C)cc(Cl)n1 799966760 MOYKXHNKPBWCAL-GFCCVEGCSA-N 295.814 3.587 30 20 CHED C=CCC(C)(C)C(=O)OCc1cncc(C(F)(F)F)c1 796461691 NEQCHEIVWASCOC-UHFFFAOYSA-N 287.281 3.746 30 20 CHED Cc1cccnc1NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 790187507 WWWUISLHLUWUTJ-RFGFWPKPSA-N 255.365 3.614 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC 1307485558 KAZSHFKCNYLFDZ-YOEHRIQHSA-N 286.419 3.967 30 20 CHED N#Cc1ccc(SCC(=O)c2ccsc2)cc1 1165545777 NHPLLJSQKKDBDV-UHFFFAOYSA-N 259.355 3.595 30 20 CHED CCN(Cc1ccccc1F)Cc1ccc(C#N)cc1OC 1231619653 GKMHNXNQFZCOKM-UHFFFAOYSA-N 298.361 3.728 30 20 CHED Cc1ccccc1C[C@@H](C)NCc1ccc(C#N)s1 135681693 WXJFVVZUQGPNDA-CYBMUJFWSA-N 270.401 3.649 30 20 CHED CC[C@@H](C)[C@@H](C)Nc1ncc(Cl)c(C)c1C#N 1162558245 BMLZLVUEQHPVAK-PSASIEDQSA-N 251.761 3.762 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 1311104467 VIAKYNWNRWEXTA-CYBMUJFWSA-N 289.354 3.597 30 20 CHED CC1(C)CCCN(Cc2sccc2Cl)[C@H]1C#N 549341262 MMRMABQRMYVSKP-LBPRGKRZSA-N 268.813 3.916 30 20 CHED C[C@H]1/C(=C\c2cccnc2N(C)C)C(=O)c2ccccc21 1327210705 JDXPLGCHMLBDLY-PILJQMSFSA-N 278.355 3.531 30 20 CHED CC(C)(C)c1ncc(/C=C\c2cc(C#N)ccn2)s1 1325103755 FVONZRSCQXGNBL-PLNGDYQASA-N 269.373 3.878 30 20 CHED C#CCN(CC1CC1)C(=S)Nc1ccc(C(C)C)cc1 1320139223 BGLCUGNEEUTNJQ-UHFFFAOYSA-N 286.444 3.852 30 20 CHED CC(C)N(CCOc1cccc(C#N)c1)Cc1ccccc1 58822984 NFCDZLJOTUYQHM-UHFFFAOYSA-N 294.398 3.848 30 20 CHED Cc1cc(N[C@H](C)Cc2ccccc2C)cc(C#N)n1 557511669 MNHWHLODNXQTLM-CYBMUJFWSA-N 265.360 3.613 30 20 CHED Cc1ccc(OCC2(CC#N)CC2)c2c1[C@@H](C)CC2=O 1327675563 VVAQVCTZGATODF-LBPRGKRZSA-N 269.344 3.758 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(F)c(F)c1 594710982 KRIVOACRABTTDR-NSHDSACASA-N 271.376 3.925 30 20 CHED N#Cc1cnc(N2CC[C@H]2c2ccc(Cl)cc2)c(F)c1 1186405433 KYSXMKNLQRNHKU-AWEZNQCLSA-N 287.725 3.697 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccccc2C)C1 664332300 DCGZLIXWLVCUJE-AWEZNQCLSA-N 258.365 3.815 30 20 CHED CCCCCCCCC(=O)NC(C)(C)c1ncccn1 1331814072 DLNISHLUGJAXJA-UHFFFAOYSA-N 277.412 3.579 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCCCC1(F)F 695835044 FYDXROLOAZHVBD-NEPJUHHUSA-N 258.356 3.730 30 20 CHED C=C(CC)COC(=O)[C@H](C)c1ccc(F)c(F)c1 1254121585 FHYDMJLLYYVQTI-SNVBAGLBSA-N 254.276 3.578 30 20 CHED CS[C@H]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 767194352 CQUJJLUYMRCFKH-OLZOCXBDSA-N 289.448 3.947 30 20 CHED C[C@@H](CN(C)c1nc(C#N)c(Cl)s1)c1ccccc1 1185231141 SHDDNFAUCMHBQJ-JTQLQIEISA-N 291.807 3.908 30 20 CHED C=CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1338393704 HPMJVEQMUWKHJA-CYBMUJFWSA-N 276.339 3.588 30 20 CHED C/C(=C/C(C)(C)C)c1nnc(COc2ccccc2C#N)o1 1333091630 RHDGLCRWEMVMLT-XFXZXTDPSA-N 297.358 3.970 30 20 CHED C=CCCc1nnc(COc2ccc3ccccc3c2)o1 1345841697 JFXGEYJHRHYCMJ-UHFFFAOYSA-N 280.327 3.920 30 20 CHED C=C[C@H](C(=O)N1CCC[C@H]1c1cccnc1)c1ccccc1 1518821944 TWONVDMXZCWUOJ-ROUUACIJSA-N 292.382 3.715 30 20 CHED Cc1cc(Oc2cnc3ccccc3c2)ncc1C#N 1458333916 UUWIEAZQUONQIN-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 1521711915 RABQCNZIBXMJGB-CABCVRRESA-N 298.386 3.916 30 20 CHED Cc1cccc(CSc2ncc(C#N)cc2F)c1 1458387572 YOHNQOFSKGGDKL-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#C[C@H](C(=O)C[C@H]1C=CCC1)c1nc2cccc(Cl)c2[nH]1 1526620160 HNYCUMCIGLTYQM-WDEREUQCSA-N 299.761 3.749 30 20 CHED N#Cc1ccc(CNC(=O)c2cccc(C3CC3)c2)cc1F 1528999588 YALMHOJSWNJRDQ-UHFFFAOYSA-N 294.329 3.505 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)CSc1ccccc1 1538447558 IVBQRLKWHVQWDW-UONOGXRCSA-N 290.432 3.565 30 20 CHED CCN(C/C=C/c1c(C)cc(C)cc1C)CCC#N 1462043627 FWQITINMELJYIL-SOFGYWHQSA-N 256.393 3.861 30 20 CHED C=C[C@H](Sc1c(Cl)cccc1Cl)C(=O)O 1602828292 ZXXCCDZSKRJGTC-QMMMGPOBSA-N 263.145 3.725 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 1461935523 OBAMILMUOZOSIQ-YOEHRIQHSA-N 286.419 3.967 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCc1csc(C)c1C 1535276833 KIVQPDAZBMORQL-UHFFFAOYSA-N 285.368 3.902 30 20 CHED Cc1cc(NC(=O)CCC2CCCCCC2)ncc1C#N 1530656900 ONTUHCMTBLMCIY-UHFFFAOYSA-N 285.391 3.951 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1ccc(C(=O)O)[nH]1 1600514385 BGOHGPPZRGUCFO-UHFFFAOYSA-N 285.347 3.591 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccccc1NC 1474339584 NFBYSNLJDFZLQS-UHFFFAOYSA-N 273.424 3.880 30 20 CHED CCc1ccccc1CCSc1cc(C#N)ccn1 1613475250 KUDCUTLCPIZPCE-UHFFFAOYSA-N 268.385 3.850 30 20 CHED CCC[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)OCC 1559245437 AZRMKDONQDWFPF-AWEZNQCLSA-N 289.423 3.868 30 20 CHED CC(C)(C)[C@H]1CSCCN1Cc1cccc(C#N)c1F 1620536418 UNBLCZYCXRXMJI-CQSZACIVSA-N 292.423 3.661 30 20 CHED CC(=O)c1ccc(OCCc2ccc(C#N)cc2)c(C)c1 1643693982 FQLJGENSOIVLOU-UHFFFAOYSA-N 279.339 3.691 30 20 CHED C=C[C@@H](OC(=O)c1ccc(C)c(C(=O)O)c1)c1ccccc1 1573346550 BZMVOZIAODVNBY-MRXNPFEDSA-N 296.322 3.777 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2F)c2ccccc21 1651303874 MTWSHBZUJKUWJF-UHFFFAOYSA-N 267.307 3.522 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1ccns1 1652906569 KWURZZYAKGGMMX-UHFFFAOYSA-N 264.737 3.556 30 20 CHED CCC[C@H]1CCCC[C@H]1CNc1ncccc1C#N 1655570508 IOOOAMSDLYAVKF-ZFWWWQNUSA-N 257.381 3.972 30 20 CHED C=CCN(CCC(=O)O)Cc1ccc(C(C)(C)CC)cc1 1776178021 KLQATCNZFQVWLS-UHFFFAOYSA-N 289.419 3.837 30 20 CHED C[C@@H]1/C(=C\c2cccc(CC(=O)O)c2)C(=O)c2ccccc21 1777407999 QLZXJLSBJGQNLB-VAKHEIKFSA-N 292.334 3.697 30 20 CHED O=C(O)c1ccc(NN=CCCC2CCCC2)cc1F 1776077075 UIGLHZBNROWPGB-UHFFFAOYSA-N 278.327 3.892 30 20 CHED C=CCCC[C@@H](NCc1cccc(C(C)(F)F)c1)C(=O)O 1776172399 QJYKUNXNTMNZRI-CQSZACIVSA-N 297.345 3.697 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cc(C(=O)O)co2)cc1 1776112575 AWGKFWMHPZLTFE-CMDGGOBGSA-N 284.311 3.826 30 20 CHED C[C@H](CC(=O)Oc1ccc(C#N)cc1)c1ccccc1 5576756 AVIFEQMTGPTHCZ-CYBMUJFWSA-N 265.312 3.657 30 20 CHED CCCCCC[C@H](C)CC(=O)NC1(C#N)CCSCC1 162746433 XJDJKDFDBSDNHP-AWEZNQCLSA-N 296.480 3.889 30 20 CHED C=C(Br)CNCc1cccn1CCC(C)C 164201205 LNJDVNNYBHOSCK-UHFFFAOYSA-N 285.229 3.532 30 20 CHED C#Cc1cccc(NC(=O)N(C)[C@H](CC)c2ccncc2)c1 151813860 FOQKPPPBCUSAQV-QGZVFWFLSA-N 293.370 3.678 30 20 CHED C=CCCSCC(=O)c1cc(C)n(CCCOC)c1C 151982550 FSTYIOVRZAAUMM-UHFFFAOYSA-N 295.448 3.633 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1 152350683 OEVVEIJPHQMGDB-LSDHHAIUSA-N 280.371 3.505 30 20 CHED CCSc1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 153264043 LDKUQWCWZZCNEC-AWEZNQCLSA-N 282.368 3.684 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 153845081 QVYHXDVDIBRNQH-WDEREUQCSA-N 285.309 3.575 30 20 CHED C#CCCCCNC(=O)C1CCC(c2ccccc2)CC1 156395847 QSNCBZADVKAMDJ-UHFFFAOYSA-N 283.415 3.880 30 20 CHED Cc1cccc(NCc2cc(C#N)ccc2F)c1C 20055873 BQCICKXJBATYCC-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C#CCSCCN[C@@H](C)c1ccc2ccccc2c1 226326383 HACYWENHGNIRHB-AWEZNQCLSA-N 269.413 3.857 30 20 CHED C[C@H](Cc1ccc(F)cc1)Nc1cc(F)cc(C#N)c1 227617133 JUAFNIOOXCCOAT-LLVKDONJSA-N 272.298 3.880 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccc(C#N)cc1OC 130213108 GQCZTKBXLCBBKP-CYBMUJFWSA-N 274.364 3.722 30 20 CHED N#Cc1ccc(CNc2ccc3ncccc3c2)s1 157501405 ABSUDJSFDDHHRH-UHFFFAOYSA-N 265.341 3.780 30 20 CHED N#Cc1cccc(CN[C@@H](c2ccccc2)C2CC2)c1 35054092 WUDAHWGRJOVFIH-SFHVURJKSA-N 262.356 3.799 30 20 CHED N#CCSc1ccccc1C(=O)Nc1ccccc1 41779418 ZMSBEMMAMKSBTM-UHFFFAOYSA-N 268.341 3.555 30 20 CHED Cc1ccc(NCc2ccc(C#N)c(F)c2)c(F)c1 190315264 QMGIOHVVHKLIOM-UHFFFAOYSA-N 258.271 3.757 30 20 CHED Cc1cc(C#N)cc(NCc2ccc(F)c(C)c2)c1 308109210 KTNJLLGZOYBAKJ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED N#Cc1cc(F)cc(NCc2cc(F)c(F)c(F)c2)c1 600862529 XLRDTRCXUUFPJU-UHFFFAOYSA-N 280.224 3.727 30 20 CHED CC(C)(C#N)CNC(=O)CCc1ccc(Cl)cc1Cl 611689865 BDJVJOMTECSPPZ-UHFFFAOYSA-N 299.201 3.592 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 617784235 PIQVUQDPJFGKAU-CYBMUJFWSA-N 261.340 3.562 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 439554465 VMHURRUAUNDFRP-MNOVXSKESA-N 283.297 3.734 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCc1cc(C#N)cs1 93492186 SYHDYSUHOJKYMF-GFCCVEGCSA-N 286.400 3.788 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1Cl 720282811 LKEACYLEUBNZKH-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#CC[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 397778104 OCSBVHCHEBUTNN-AWEZNQCLSA-N 262.784 3.508 30 20 CHED CCCCCCCCCN[C@@H](C)c1csnn1 398318230 GUFMZQUVJMQUJY-LBPRGKRZSA-N 255.431 3.939 30 20 CHED C[C@@H](Nc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 37298586 OGIZNGANCOVTRB-LLVKDONJSA-N 267.288 3.640 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1ccccc1O 37748292 KYJJXWZIKTZOGN-MRXNPFEDSA-N 266.344 3.505 30 20 CHED COc1ccc([C@@H](C)CC(=O)Nc2cccc(C#N)c2)cc1 40643346 BQKYIBLXGSYZSQ-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED N#Cc1ccc(CCOc2ccccc2Cl)cc1 41328780 ADSOSWKMYXBHFI-UHFFFAOYSA-N 257.720 3.833 30 20 CHED CC[C@H](C)[C@@H](C(=O)N(CC)CCC#N)c1ccccc1 42454216 ZFLQTWWNOKESIZ-GOEBONIOSA-N 272.392 3.578 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)c2ccc(C)cc2)c1 47399949 GUGAENHPSOYEQE-CQSZACIVSA-N 278.355 3.859 30 20 CHED CC[C@@H](CC#N)NCc1ccc(Cl)cc1Cl 54181983 OJVMUODGTKUGKB-NSHDSACASA-N 257.164 3.775 30 20 CHED CCc1oc2ccccc2c1CN[C@@H](CC)CC#N 54183521 RKTRPARUPQQEFP-LBPRGKRZSA-N 256.349 3.777 30 20 CHED C=CCN(CCc1ccccc1)Cc1nnc(C(C)(C)C)o1 62364398 GMLNKAKKHMQNPU-UHFFFAOYSA-N 299.418 3.598 30 20 CHED N#Cc1ccc(Cl)cc1Oc1ccc([N+](=O)[O-])cc1 62790220 NTDFWLVOPWASHW-UHFFFAOYSA-N 274.663 3.912 30 20 CHED C=C(C)COc1cccc(NC(=O)c2scnc2C)c1 66463182 BRNKEXTTZYTKMK-UHFFFAOYSA-N 288.372 3.659 30 20 CHED N#Cc1nc(N[C@@H]2CCc3ccc(F)cc32)ccc1Cl 67372410 VOCIRVTXOKNUBZ-CYBMUJFWSA-N 287.725 3.845 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1ccccn1)c1ccc(F)cc1 67798205 BBSOJVKJGLGJSX-WQTVUKCASA-N 280.302 3.500 30 20 CHED N#Cc1ccc(NC[C@@H]2OCCc3ccccc32)cc1Cl 70987941 PPTHOEYBWMYWMA-KRWDZBQOSA-N 298.773 3.938 30 20 CHED N#Cc1cc2ccccc2nc1NC[C@@H]1CC=CCC1 71389987 RRFCWHOBBSOKIT-CYBMUJFWSA-N 263.344 3.875 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(CCCCC#N)C1 75843312 FVFPRDPJBJXYOU-CJNGLKHVSA-N 260.356 3.902 30 20 CHED CCCCC[C@H](C)C/C(O)=N/S(=O)(=O)c1ccccc1 76755535 HWMLAWOYTUYOAY-ZDUSSCGKSA-N 297.420 3.938 30 20 CHED COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(F)cc1C#N 78380224 SBRINYCDXLSVTP-INIZCTEOSA-N 298.317 3.642 30 20 CHED Cc1cc(-c2csc(NC(=O)C(C)(C)C#N)n2)c(C)o1 79852660 BEJGOGPTXSRWFD-UHFFFAOYSA-N 289.360 3.508 30 20 CHED CCC[C@H](C#N)NC(=O)C(C)(C)Cc1cccc(Cl)c1 92004296 GPMIHBYZJAKHTE-CQSZACIVSA-N 292.810 3.717 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1ccc(Cl)s1 92198166 ILJUDMXRGBHNHK-SNAWJCMRSA-N 280.780 3.594 30 20 CHED N#CCCCOc1cccc(CN2C[C@H]3CCCC[C@H]3C2)c1 93441932 BIFXEGGRLBADFQ-HDICACEKSA-N 298.430 3.991 30 20 CHED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CC2)c1 102858022 KCXDFUCNQPXXLE-UHFFFAOYSA-N 281.380 3.673 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cccc(C)c2C)c1 103032799 OLKIHLYONBFCMH-UHFFFAOYSA-N 263.340 3.561 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccccc2C#N)cc1 103470831 GGYYIEOXTAMXNS-UHFFFAOYSA-N 275.355 3.571 30 20 CHED C=CCCOC(=O)C1(c2cccc(Cl)c2)CCOCC1 103646371 UCMDMWAQKYZKQX-UHFFFAOYSA-N 294.778 3.508 30 20 CHED Cc1ccsc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 106421222 DQOAEBFKCZUIBR-LBPRGKRZSA-N 290.775 3.705 30 20 CHED C=CC1CCN(C(=O)CCc2ccc(Cl)s2)CC1 110364086 VVOWMVJSXDOPQO-UHFFFAOYSA-N 283.824 3.759 30 20 CHED C=CCn1c(SCC(F)F)nnc1-c1ccc(F)cc1 112770707 VTGNAEVFTRPZEU-UHFFFAOYSA-N 299.321 3.627 30 20 CHED C#CCCCCC(=O)N(C1CCC(C)CC1)C1CC1 119743723 NTOCYDSJEPESTO-UHFFFAOYSA-N 261.409 3.750 30 20 CHED C=CCN(Cc1cccs1)Cc1cc(C#N)cs1 119945692 KAEABCBTGZWSHP-UHFFFAOYSA-N 274.414 3.869 30 20 CHED CCc1ccc(Oc2ncc(C#N)cc2Cl)c(OC)c1 120557938 FSVXCACVZQIZOC-UHFFFAOYSA-N 288.734 3.970 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)cc(F)c1 121622570 VBXDTFWWQHUKOP-UHFFFAOYSA-N 251.276 3.672 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)s1 125416468 BHZRJEAQCXFGBU-UHFFFAOYSA-N 298.411 3.817 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 126923548 VCRZXUIRLUATLG-JYJNAYRXSA-N 286.419 3.847 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](C)c1ccc(F)cc1F 130381503 NEOWEVQJEZWXPV-GFCCVEGCSA-N 279.330 3.659 30 20 CHED C=CCCN1C[C@@H](c2ccccc2Cl)OC[C@@H]1C 133064426 KNDWASDWPTWQDW-WFASDCNBSA-N 265.784 3.678 30 20 CHED CC(C)(C#N)CCCN1CCc2ccc(F)cc2C1 133854407 VQMFWLVPLZLEMC-UHFFFAOYSA-N 260.356 3.514 30 20 CHED CCOCc1ccccc1CNCC(C)(C)CCC#N 135139803 QEBGVDJVTLBSQK-UHFFFAOYSA-N 274.408 3.643 30 20 CHED CC[C@@H]1CCC[C@H]1NCc1ccc(O[C@@H](C)C#N)cc1 154123173 ITYLYXQEWFOLAB-YSVLISHTSA-N 272.392 3.646 30 20 CHED COc1cccc([C@@H]2CCCN2CCC(C)(C)C#N)c1 157529020 UPTIGCLBPNMNMA-INIZCTEOSA-N 272.392 3.772 30 20 CHED CC[C@@H](CC(=O)N[C@](C)(C#N)C(C)C)c1ccc(C)cc1 157901517 KFFRRUOLBCVXTM-MAUKXSAKSA-N 286.419 3.933 30 20 CHED Clc1cccc(C#CCN2Cc3ccccc3C2)c1 160024355 KPUZVUWHEJXHSV-UHFFFAOYSA-N 267.759 3.707 30 20 CHED CCC(C)(C)NC(=O)N[C@H](CCC#N)c1ccccc1 160521429 PXZSQCJXAFLNQM-CQSZACIVSA-N 273.380 3.519 30 20 CHED C=C(C)CNC(=O)CCc1ccc(-c2ccccc2)o1 160952358 ADQQZEMZRSYPSP-UHFFFAOYSA-N 269.344 3.572 30 20 CHED CCC(CC)n1nccc1C(=O)Nc1ccc(CC#N)cc1 161229108 CWWKJBGNPMFARR-UHFFFAOYSA-N 296.374 3.563 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 161426266 MRUXILUQAKVFHO-MRXNPFEDSA-N 274.408 3.774 30 20 CHED Cc1cccc(C(=O)N(C)Cc2ccc(C#N)cc2)c1Cl 168606933 IVNXQZAJIZNHHL-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CC[C@H](NC(=O)NCCCCC#N)c1ccc(Cl)cc1 170887226 YVCPIKASMCLLOU-AWEZNQCLSA-N 293.798 3.784 30 20 CHED COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1C 173988740 MYUBEQSIVIWLGB-CQSZACIVSA-N 280.371 3.726 30 20 CHED CC1(C)CCCN(C(=O)Nc2ccc(C#N)cc2)CC1 174309742 PLIOTKYAZUHSFN-UHFFFAOYSA-N 271.364 3.602 30 20 CHED CC[C@H](NC(=O)Nc1cc(C#N)ccc1C)c1ccncc1 175744139 QDMYKNCBWLSJTO-HNNXBMFYSA-N 294.358 3.535 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(C#N)s1 176403026 FNOOIQNVDHZVTB-CMDGGOBGSA-N 253.326 3.824 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C)cc2F)c1 176468715 GXDRITNSSGZFCS-UHFFFAOYSA-N 281.330 3.782 30 20 CHED Cc1cccc(C(=O)Nc2cccc(C#N)c2C)c1C 178638738 SOXQQGDJBLEWKR-UHFFFAOYSA-N 264.328 3.736 30 20 CHED C[C@@H](NCCCCC#N)c1cc(Br)ccc1F 178646536 JUINKOLXJZRRCG-SNVBAGLBSA-N 299.187 3.933 30 20 CHED C=CCC[C@@H](NCc1cn2cccnc2n1)c1ccccc1 180045384 QDDAVGCGWLJIEM-QGZVFWFLSA-N 292.386 3.526 30 20 CHED Cc1cc(CNCc2ccc(C#N)cc2)ccc1Cl 180796938 IJGAYLRGAFNBON-UHFFFAOYSA-N 270.763 3.810 30 20 CHED Cc1ccc(-c2ccc(C(=O)OCCCC#N)s2)o1 181469117 QXVUGROTUKNWRS-UHFFFAOYSA-N 275.329 3.777 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(Br)c1C 181680763 ZHJZVIASLIURRD-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=CCC(CC=C)C(=O)NCCCNc1cccc(F)c1 182061192 MSVNDKPSINNLNN-UHFFFAOYSA-N 290.382 3.512 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2sccc2C#N)cc1 182481663 WWKWVBSBEDALFN-GFCCVEGCSA-N 284.384 3.746 30 20 CHED COc1cccc(C(C)(C)CN[C@@H]2CCC[C@@H](C#N)C2)c1 185865229 WQDTXUGTCVIQNS-GDBMZVCRSA-N 286.419 3.645 30 20 CHED CCC[C@@H](NCc1ccc(OCC#N)cc1)c1cccnc1 185986087 UQAJLHFVJQJCHU-GOSISDBHSA-N 295.386 3.615 30 20 CHED CCN(Cc1cc(O)cc(F)c1)[C@@H](C)c1ccc(C#N)cc1 186186162 AETSXGVKZRUHKH-ZDUSSCGKSA-N 298.361 3.986 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1 186415966 ZSELEDLMZCVHDC-ONNFQVAWSA-N 284.334 3.573 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(F)ccc1C(C)=O 188067802 PFXSWDAHGGKXOR-OAHLLOKOSA-N 263.312 3.569 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCCOc2c(F)cccc21 188576252 ZRROOGDHHJMZPW-WMLDXEAASA-N 291.366 3.758 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 189934804 GGLGJLYLJNLHRZ-QGZVFWFLSA-N 286.327 3.609 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(F)c(F)c2)CCC1 189987262 LEWPYSQZAMLMBT-UHFFFAOYSA-N 265.303 3.674 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(O)c1 218790363 GIXFNAHZTOHXJQ-SOFGYWHQSA-N 283.283 3.505 30 20 CHED Cc1cnc([C@H](C)Nc2ccc(F)cc2C#N)s1 226806937 PQPUWEWNQYPRCS-VIFPVBQESA-N 261.325 3.635 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCC[C@@H]1CCCCO1 227315884 BLPHNDSHRIBTIT-ZDUSSCGKSA-N 298.308 3.948 30 20 CHED CCC(CC)(CNCc1ccc(C#N)cc1F)SC 227598348 KIRDGTXJNHTBGZ-UHFFFAOYSA-N 280.412 3.709 30 20 CHED CCc1ccc(OCc2ccccc2C#N)c(OC)c1 230348559 PGADQPWFJSYSNP-UHFFFAOYSA-N 267.328 3.708 30 20 CHED C=C(Cl)CN[C@H](C)Cc1ccc(Br)cc1 235483262 QODFBHMCUKMWPZ-SNVBAGLBSA-N 288.616 3.722 30 20 CHED C#CCCOc1ccc(CNC[C@H]2Cc3ccccc32)cc1 236685623 STYRTALVSDDNRR-GOSISDBHSA-N 291.394 3.518 30 20 CHED CC[C@@H]1[C@@H](C)CCN1Cc1ccc(O[C@H](C)C#N)cc1 249435206 KPHVLYRVXDRMGO-JJRVBVJISA-N 272.392 3.598 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCc2ccc(C)cc2)cc1 254315964 FKJDFXIJELZJKY-UHFFFAOYSA-N 296.370 3.894 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cc(F)c(O)c(F)c1)C2 255689931 DYTBJEXDLHGIAJ-LFYBBSHMSA-N 286.277 3.801 30 20 CHED CC[C@@H](C)CSc1c(C#N)nnc2ccccc12 268089919 KWAVSUAVLFYKJJ-SNVBAGLBSA-N 257.362 3.640 30 20 CHED C=CCN(C(=O)Nc1ccc(C)cc1Cl)C1CC1 271393154 RRDRCTYVRNTYHX-UHFFFAOYSA-N 264.756 3.831 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OC(F)F 274628846 OGXDWIIEYJWLEO-SDDRHHMPSA-N 280.318 3.631 30 20 CHED CC[C@@H](N[C@@H](C)CCC#N)c1nc(C(F)(F)F)cs1 276645610 YEQQQONIHSJAOE-DTWKUNHWSA-N 291.342 3.895 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccnn1C(C)C 279987335 GEHKDUJQQWPXLS-CMDGGOBGSA-N 254.333 3.669 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CC(c2ccccc2)C1 280720973 FSVNBTAMWHOICL-BFWZDYSYSA-N 271.404 3.503 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1csc(C(C)C)n1 280824015 NSYVOEFKTCVQFV-GUTXKFCHSA-N 294.464 3.898 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCC2(C3CC3)CCC2)cc1 281221301 OIDXCIMALIPXPW-UHFFFAOYSA-N 296.414 3.798 30 20 CHED C=CCC[C@H](NCCCC(C)(C)CO)c1ccco1 286253634 UNRNINXKGHTQOG-AWEZNQCLSA-N 265.397 3.675 30 20 CHED CC#CCCCc1nc(-c2ccc3cc[nH]c3c2)no1 288830254 BMWDVINYHOAMNT-UHFFFAOYSA-N 265.316 3.564 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)ncc2Cl)n1 288973072 BJTXWBCAEQLQLH-UHFFFAOYSA-N 284.146 3.947 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](C#N)C(C)(C)C 291363891 BVQKIALCJDLLDK-KGLIPLIRSA-N 290.432 3.612 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 295216489 AQJLMSLKHPFZPE-AWEZNQCLSA-N 293.794 3.532 30 20 CHED C#CCN(C(=O)Nc1ccccc1C(C)(C)C)C1CC1 297416514 JGYQLVLXDREPCF-UHFFFAOYSA-N 270.376 3.614 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)cc1 299306908 CWNMPLQSTQRRBQ-GOSISDBHSA-N 262.356 3.644 30 20 CHED Cc1cc(F)cc2c(NCc3cccnc3)c(C#N)cnc12 301369990 UQACQXCZELVRGF-UHFFFAOYSA-N 292.317 3.561 30 20 CHED COc1ccc([C@@H](Nc2ccc(C#N)nc2)C(C)C)cc1 301598562 UBBOMNYQUPTYTC-KRWDZBQOSA-N 281.359 3.771 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Nc2ccc3ncsc3c2)c1 302191035 BIPVUIVEZMUQCI-UHFFFAOYSA-N 296.311 3.820 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCCc2c(O)cccc21 302652608 CBYGLUNXJKLEOS-MRXNPFEDSA-N 282.318 3.892 30 20 CHED CCN(CC1CC1)c1cc(Br)c(C#N)cc1F 310231718 QFZVAIBHZCFWKX-UHFFFAOYSA-N 297.171 3.696 30 20 CHED Cc1cccc(CCNc2nc(C)c(C#N)cc2Cl)c1 312996199 YFPUQOOXSCMNCS-UHFFFAOYSA-N 285.778 3.878 30 20 CHED CO[C@H]1CCCC[C@H]1C(O)=Nc1cnc2c(c1)CCCC2 329072070 ZISONJAOGMOIGE-ZBFHGGJFSA-N 288.391 3.754 30 20 CHED Cc1nnc(SCC2(C#N)CC2)n1[C@@H]1CCC[C@@H](C)C1 329505282 ZJXOBEGHIZINMH-DGCLKSJQSA-N 290.436 3.734 30 20 CHED CCC1(C/N=C(/O)N[C@@H]2CCOC3(CCC3)C2)CCCC1 330204124 CNBRMJLLAZTSED-CQSZACIVSA-N 294.439 3.562 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(C(C)=O)o2)CCCC1(C)C 331153878 VCURCMBQYIKFGE-HNNXBMFYSA-N 289.375 3.689 30 20 CHED N#CCCNC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 332241747 AIHNOPXIFNVOTC-FMQWLBJXSA-N 297.402 3.568 30 20 CHED N#C[C@]1(C(=O)Nc2ccc3ccoc3c2)CC12CCCC2 333380604 FLTWMHHQTPZHAZ-KRWDZBQOSA-N 280.327 3.845 30 20 CHED Cc1ccc2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2n1 334608740 YOYPITMCOMBVRI-TZMCWYRMSA-N 251.333 3.647 30 20 CHED Cc1ccc2sc(C(=O)N(C)CCC#N)c(C)c2c1 335228368 HPSUXRZNDSFJMY-UHFFFAOYSA-N 272.373 3.504 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2[C@H]3CCC[C@H]2CC3)cc1 336071072 PTRAODKHUUNHAL-HOTGVXAUSA-N 282.387 3.645 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(-c2cccs2)c1 336249559 RKMKNZVLAGHVNK-MEDUHNTESA-N 282.368 3.903 30 20 CHED Cc1cccc(C)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 336401501 WJZSRIZPBSJZDH-AWEZNQCLSA-N 278.355 3.917 30 20 CHED Cc1cscc1CNc1nc(C)c(C#N)cc1Cl 336792067 QIDFJEMADIVOAE-UHFFFAOYSA-N 277.780 3.897 30 20 CHED CC(C)COCCSCc1cc(F)ccc1C#N 336978560 ZZAKLOFFZIZOSW-UHFFFAOYSA-N 267.369 3.603 30 20 CHED N#Cc1cc(F)ccc1COc1cnc2ccc(F)cc2c1 337934877 HKDKAUQZGWIYGP-UHFFFAOYSA-N 296.276 3.964 30 20 CHED CN(c1ccnc(C#N)c1)C1CCC(C(F)(F)F)CC1 341061561 HXNHZAWRTGVHBN-UHFFFAOYSA-N 283.297 3.511 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1csc2ccccc12 342080346 XTZBCAGJPBHOFB-LLVKDONJSA-N 274.389 3.665 30 20 CHED CC(C)CCn1cccc1CNCC(C)(C)CCC#N 342274950 IGLCUBHURZLGAI-UHFFFAOYSA-N 275.440 3.954 30 20 CHED N#Cc1ccnc(NCCc2c[nH]c3ccc(Cl)cc23)c1 342295673 OIDOTGAILZHLKU-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)c1c(F)cccc1Cl 342784246 JUMOEHWSIZXGHS-VIFPVBQESA-N 275.714 3.919 30 20 CHED Cc1ccnc(NCCc2c[nH]c3cc(F)ccc23)c1C#N 343446856 XXGUOCPHLPBPSG-UHFFFAOYSA-N 294.333 3.537 30 20 CHED CCC1(CNc2ncc(Cl)c(C)c2C#N)CCOCC1 343477255 NUOFHCSKPVNGBR-UHFFFAOYSA-N 293.798 3.534 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H]1CC[C@@H](F)C1)c1ccccc1 345581546 FCPVDXFVEICHBL-OAGGEKHMSA-N 290.382 3.884 30 20 CHED Cc1cc(F)cc(-c2noc(-c3cc(C#N)oc3C)n2)c1 345896878 FABAAGHIIPQLML-UHFFFAOYSA-N 283.262 3.624 30 20 CHED CCC[C@@H](OC)c1noc(C[C@@H](CC#N)c2ccccc2)n1 351140838 ZALFWOMPVCTZGV-HUUCEWRRSA-N 299.374 3.797 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2nc(C)ccc2c1 352503891 LDNHRJDMQIIBBM-UHFFFAOYSA-N 282.387 3.875 30 20 CHED Cc1cc(CCCC(=O)N(C)CC(C)(C)C#N)c(C)s1 353186805 RQKPDLZPPYSNHD-UHFFFAOYSA-N 292.448 3.696 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C1 353699675 SJOPBKXVBPXGDN-ZDUSSCGKSA-N 290.794 3.720 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 353839510 YVIQMBZROBJKNX-RBSFLKMASA-N 291.439 3.584 30 20 CHED C=C(CC)CN(CC)CC(=O)Nc1c(C)cccc1C 358619711 IAFMQHJLIUWPNF-UHFFFAOYSA-N 274.408 3.530 30 20 CHED COCC[C@@H](C)SCc1ccc(Cl)cc1C#N 358659081 ZGIXYHLZUFHWTB-SNVBAGLBSA-N 269.797 3.870 30 20 CHED CCN(CCC#N)Cc1c(C)ccc2ccccc12 361540042 HWBBZLRDEMXIHI-UHFFFAOYSA-N 252.361 3.884 30 20 CHED CCC[C@@H]1CCCCN1CCC(=O)Nc1ccc(C#N)cc1 387705730 QCOCLXULPUDBEE-QGZVFWFLSA-N 299.418 3.541 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1csnn1 398360146 LXWUPSPHXBCWST-ZETCQYMHSA-N 298.293 3.602 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)c1ccc(CC)cc1 410827606 LMQQJVNFPFNIAH-CJNGLKHVSA-N 272.392 3.503 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(Cl)cc1CC#N 410962621 CYEXGLNYOTVCBJ-SNVBAGLBSA-N 264.756 3.781 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(Cl)cc1CC#N 410966642 LEEVFMZVCUGQBG-JTQLQIEISA-N 264.756 3.781 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(C)n(C)n1 414298524 IXLWQQRXKJXXJL-RDJZCZTQSA-N 283.419 3.567 30 20 CHED N#CC1(CNC(=O)Nc2ccc(C(F)(F)F)cc2)CCC1 416732246 KQZWTAAJVJXBFF-UHFFFAOYSA-N 297.280 3.521 30 20 CHED CC[C@@H]1CCCN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 419638930 LDDFZYOPRZHFMY-WBVHZDCISA-N 297.402 3.520 30 20 CHED N#Cc1cncc(SCc2ccccc2C2CC2)n1 420614188 WFCDITKWTGWSOY-UHFFFAOYSA-N 267.357 3.518 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc3nccnc3c2)no1 424346663 JPOMFNPTJYZLTL-UHFFFAOYSA-N 280.331 3.534 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 424981473 YSENCYJPUKNSJR-ARFHVFGLSA-N 276.424 3.791 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425117100 WERWUGPENSNOAK-APHBMKBZSA-N 270.376 3.514 30 20 CHED Cc1ccc([C@@H](C)c2noc(-c3ccc(C#N)o3)n2)cc1 426429297 XCXUDMTZEAIGDW-LLVKDONJSA-N 279.299 3.662 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OC)c(OC(F)F)c1 426545706 RLGBWSBAPYRQEJ-CYBMUJFWSA-N 297.345 3.837 30 20 CHED C=C[C@H]1CCCCN1Cc1c(C)nn(C(C)(C)C)c1C 426548401 MPNISQBKSQMYIP-HNNXBMFYSA-N 275.440 3.795 30 20 CHED C=CCCC(=O)Nc1cc(CCc2ccccc2)ccn1 427223028 LUPQOPCUPADVRR-UHFFFAOYSA-N 280.371 3.772 30 20 CHED C=CCCCCCN(C)C(=O)C(=O)c1ccc(Cl)s1 428641090 DDMQVVGCPSXWOU-UHFFFAOYSA-N 299.823 3.789 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 431951522 NWVMMBPIIFVFJZ-TYNCELHUSA-N 285.391 3.813 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(C)cc1F 432735667 NEYOXIMLCYBDOE-UHFFFAOYSA-N 264.344 3.858 30 20 CHED C=CCNC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 439155243 TUPPRFSUUXFVSQ-UHFFFAOYSA-N 259.393 3.564 30 20 CHED COc1cc(CN[C@H]2C[C@@H]2C2CCCCC2)ccc1C#N 440822610 PPZGGSLXLCGXTO-SJORKVTESA-N 284.403 3.625 30 20 CHED COc1cccc(C2(CN[C@H]3CC[C@H](C#N)C3)CCCC2)c1 442793759 OUCRZJAQVVQCHM-RDJZCZTQSA-N 298.430 3.789 30 20 CHED CC[C@H](CSc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 442846756 JYYURMRCIGDKHO-RRFJBIMHSA-N 274.433 3.839 30 20 CHED CC(C)N(CCN(C)CCCCC(C)(C)C#N)C(C)C 444676093 PPTUJQOFALGGAP-UHFFFAOYSA-N 281.488 3.757 30 20 CHED CC1(C)CCCN(CCCc2ccsc2)[C@H]1C#N 444728966 LWMOZWMNGFCDIY-AWEZNQCLSA-N 262.422 3.695 30 20 CHED N#CCCN[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 449285774 FVMHSODBIVTBJP-HIFRSBDPSA-N 262.784 3.554 30 20 CHED CC(C)N(Cc1ccc(F)cc1)CC1(C#N)CCC1 450301129 IGPZHFRGLYDXGB-UHFFFAOYSA-N 260.356 3.730 30 20 CHED C[C@H]1c2cc(F)cc(F)c2CCN1CC1(C#N)CCC1 450481253 DDEQAILXTOYMIP-NSHDSACASA-N 276.330 3.578 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCC1(F)F 452312255 NAYYDVNQXJZADM-DGCLKSJQSA-N 259.340 3.530 30 20 CHED N#Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1F 453379973 KFFIGUGCQPSNRC-GOSISDBHSA-N 295.361 3.723 30 20 CHED C=C(CC)CNC(=O)N(C)CCCCc1ccccc1 455515889 BYERWHNPWOHRFI-UHFFFAOYSA-N 274.408 3.617 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1cc(Cl)ccc1F 459234745 OTNFQVQTHJMMAS-UHFFFAOYSA-N 283.734 3.540 30 20 CHED CC(C)(CC#N)CN[C@@H]1CSCCc2ccccc21 459737783 WQSDIFXXMZJJFE-OAHLLOKOSA-N 274.433 3.546 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1[C@@H](C)CCC 466395708 KNZQXVCUNAPAQA-SOUVJXGZSA-N 266.429 3.951 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 466802177 JBESQXCGSVWHTO-CQSZACIVSA-N 286.419 3.844 30 20 CHED C=CCCN(C)C(=O)[C@H](CC)C1CCC(C)CC1 467070294 UPJVLGMCKTXXEZ-YMAMQOFZSA-N 251.414 3.873 30 20 CHED C=CCC[C@@H](C)NCCc1cn(C)c2cc(F)ccc12 471601890 LYIZCSOTQKQRCY-CYBMUJFWSA-N 274.383 3.804 30 20 CHED C=C(CC)CN[C@H](C)[C@H](OC)c1ccccc1Cl 481477674 AYESOOOJJQFLIH-DOMZBBRYSA-N 267.800 3.972 30 20 CHED CC#CCCNC(=O)N[C@@H](C)c1cc2ccccc2s1 483042554 QCWGIKDJSMCZNW-LBPRGKRZSA-N 286.400 3.675 30 20 CHED CN(CCCc1ccccc1)Cc1ccc(C#N)c(F)c1 483514842 LBVCONMVOKTUJN-UHFFFAOYSA-N 282.362 3.762 30 20 CHED C=CCSCCNCc1cccc(Cl)c1OCC 487272466 CIXIHFRCVPFPRI-UHFFFAOYSA-N 285.840 3.748 30 20 CHED C=CCCCCCN1CCC(Oc2ccccn2)CC1 488228188 YRIWFCFPWDDOFY-UHFFFAOYSA-N 274.408 3.671 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(Br)c1 488828678 CGFHKGSEAXTVJT-CYBMUJFWSA-N 294.192 3.630 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] 489397685 FPWOQISAEOUYEU-CYBMUJFWSA-N 280.755 3.789 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC2(CCC2)[C@H]1C(C)C 489853670 GVCMOGWPMDESBV-HUUCEWRRSA-N 278.440 3.951 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(C#N)c2)C1 493583018 YMSNRAMEXAFNRA-OLZOCXBDSA-N 256.349 3.713 30 20 CHED CCCN(CC#N)C(=O)CSc1ccc(C(C)C)cc1 499353366 XHPQTBSRXDYHKY-UHFFFAOYSA-N 290.432 3.664 30 20 CHED C=CCCC(=O)N[C@]1(c2cccc(C)c2)C[C@H]1CC 501593794 MSSRTWZPYLUZMS-RHSMWYFYSA-N 257.377 3.703 30 20 CHED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 502378667 VNAOSLQVNHZFMZ-NVXWUHKLSA-N 284.403 3.550 30 20 CHED C=CCOc1ccc(OCCc2scnc2C)cc1 505554174 VRYYEZWBAWBQCW-UHFFFAOYSA-N 275.373 3.638 30 20 CHED Cc1ccccc1-c1noc(Cc2c(F)cccc2C#N)n1 508057627 NEOWBMQGAYVXTG-UHFFFAOYSA-N 293.301 3.647 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 508766029 VUGKYEQRQVQBGA-HOTGVXAUSA-N 284.403 3.769 30 20 CHED C=CCCCCCN[C@@H](C)c1c(F)cncc1F 513267056 NXXGSSAWOROEAG-NSHDSACASA-N 254.324 3.757 30 20 CHED CN(C)C1(CNc2ccc(F)cc2C#N)CCCCCC1 518884274 BITDKHPSEMYLAL-UHFFFAOYSA-N 289.398 3.764 30 20 CHED C=CCNC(=O)N(CCC)[C@H](CC)c1ccccc1 521786841 CBXUPUVCTLWQSU-OAHLLOKOSA-N 260.381 3.745 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1Cc1ccc(C#N)cc1 524811668 GAJXYLHZDFPTCB-RHSMWYFYSA-N 256.393 3.959 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cocc1C 528535631 LFHCLGWWYMUJQW-UHFFFAOYSA-N 261.365 3.797 30 20 CHED CC(C)(C#N)CCOc1c(F)cccc1Br 530125774 VUFBKMCUSVVUKH-UHFFFAOYSA-N 286.144 3.907 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H](CC(C)C)C1)OCC 533696242 RIGXOHBSZMJFQZ-HOTGVXAUSA-N 281.440 3.642 30 20 CHED C[C@@H]1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 536008903 UZYHYLABCHBPRA-HIFRSBDPSA-N 284.403 3.654 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C)C2(CCC2)C1 537186196 LXFYHZLYNDHQRC-HUUCEWRRSA-N 278.440 3.953 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(C)s1 537187451 GWXGWWOWHVMYKW-NSHDSACASA-N 266.410 3.601 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1C[C@H]2C=C[C@H]1C2 538724352 GAQDQMOZYRUVRL-LFAQGZIKSA-N 292.426 3.970 30 20 CHED C=CCN[C@H](COc1ccccc1)c1ccccc1 539316632 BODFWHGBDMVIAM-QGZVFWFLSA-N 253.345 3.582 30 20 CHED C=CCCCCCN(C)Cc1cnn(CC(C)C)c1 543094762 MARDJZMFGJMDMQ-UHFFFAOYSA-N 263.429 3.717 30 20 CHED CC(C)CN(CC(C)C)C(=O)c1ccc(Cl)c(C#N)c1 543468865 NQSOBZFFZFLVIZ-UHFFFAOYSA-N 292.810 3.966 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 548610966 LKORSXCYZYWHJP-HBYGRHMLSA-N 290.794 3.766 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@@H]1C(F)F)c1ccccc1 553631242 XYAZHQCXIHCKGX-GXTWGEPZSA-N 279.330 3.602 30 20 CHED CC1(C)CC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)n1 553705644 QWRLABYKFVOJEY-JTQLQIEISA-N 269.270 3.573 30 20 CHED N#CCC1CCN(CCc2cccc(Cl)c2)CC1 556785846 SFAYTQMLDUEZFV-UHFFFAOYSA-N 262.784 3.508 30 20 CHED N#Cc1cc(F)cc(OCc2ncc(Cl)cc2Cl)c1 558037792 LKHSUYZNXYZVPJ-UHFFFAOYSA-N 297.116 3.978 30 20 CHED N#CC1(CNCc2ccc(F)c(-c3cccs3)c2)CC1 562391434 CUNCBJZJXIKYTO-UHFFFAOYSA-N 286.375 3.948 30 20 CHED CC1(CN[C@@H]2CCc3ccc(C#N)cc32)CCCC1 564423910 NAEIFQGZDRKOCB-MRXNPFEDSA-N 254.377 3.715 30 20 CHED N#Cc1nccc(NC2(Cc3ccc(Cl)cc3)CCC2)n1 565225042 QJZCFVXZMJGHSS-UHFFFAOYSA-N 298.777 3.579 30 20 CHED C=CCC(C)(C)c1noc(Cc2cccc(C)c2)n1 566000824 DBRPGYBBXBESCH-UHFFFAOYSA-N 256.349 3.823 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@@](C)(C#N)C1CCCCC1 569406663 WRFBAARLAPEMPC-KEYYUXOJSA-N 276.424 3.791 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1cccc(C(F)F)c1C#N 570107036 RZPUMOOHMHTZJX-WDEREUQCSA-N 280.318 3.865 30 20 CHED COc1cccc2c1CCC[C@H]2NCC(C)(C)CC#N 572128339 ORPMGWSBXWUNPU-OAHLLOKOSA-N 272.392 3.602 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 572184472 HXWBAIANITXBPN-PBHICJAKSA-N 276.424 3.791 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc2cc(C)ccc2s1 574123400 BAHWXAJFIGDYPQ-GFCCVEGCSA-N 286.400 3.832 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1c1ccnc(C#N)c1 577978960 UWNMNDQOGBGLOG-STQMWFEESA-N 257.381 3.604 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(Cc2cc3ccccc3s2)no1 579082063 OQKBVKHZEFGSKA-MGPLVRAMSA-N 295.367 3.676 30 20 CHED CC[C@H](Sc1cc(C#N)ncn1)c1ccccc1 579548028 LDEGKUOTCIHELY-ZDUSSCGKSA-N 255.346 3.592 30 20 CHED C[C@@H]1CCCN1c1c(C#N)cnc2c(Cl)cccc12 582483404 HDGYOTLJUFOQHQ-SNVBAGLBSA-N 271.751 3.749 30 20 CHED CSc1cccc(NC[C@@H](C#N)CCC#N)c1C 582960530 XQNVUOFVTSHWAB-GFCCVEGCSA-N 259.378 3.572 30 20 CHED Cc1cc(NC[C@@H]2CCC3(CCCCC3)O2)cc(C#N)n1 588031700 HMQRMQWTVQWHTJ-INIZCTEOSA-N 285.391 3.556 30 20 CHED CC(C)c1ccc(CCNC(=O)CCCCCC#N)cc1 588147226 IJFUPTBWBOHLCT-UHFFFAOYSA-N 286.419 3.943 30 20 CHED N#CCCCCCC(=O)Nc1nccc2sccc12 588957993 IBZLODWNDDSRNJ-UHFFFAOYSA-N 273.361 3.709 30 20 CHED C[C@@H](CSc1ccccc1)N(C)CCCCC#N 593047374 ZQRWISKTMJYUEX-AWEZNQCLSA-N 262.422 3.793 30 20 CHED CC[C@@H](C#N)C(=O)N(C)Cc1ccc(Cl)cc1Cl 593383666 HSABCPGRKDMVGD-VIFPVBQESA-N 285.174 3.502 30 20 CHED CC[C@H](C#N)C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 593741865 SDWOOXUXJNEYRL-GDBMZVCRSA-N 282.387 3.680 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)[C@H]1c1cccnc1 596592386 MVZWWMWMMVZJFB-KRWDZBQOSA-N 295.361 3.675 30 20 CHED CSc1ccncc1NC(=O)CC1(C#N)CCCCC1 597357204 UCPGATQSFVSFCT-UHFFFAOYSA-N 289.404 3.606 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(C2CC2)cc1 597659017 XFGMIQDVRFPPOR-UHFFFAOYSA-N 270.376 3.624 30 20 CHED CCCCC[C@@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N 598626845 BVPWDKYYKZBHLP-CVEARBPZSA-N 280.456 3.722 30 20 CHED CC(C)(C#N)C[C@H](O)CSc1ccc(C#N)cc1Cl 598702890 ZHBBMBMJVYLBFJ-NSHDSACASA-N 294.807 3.605 30 20 CHED CN(C(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cn1 598815927 UAGNMQJDDYKFNC-UHFFFAOYSA-N 291.782 3.562 30 20 CHED CCCC(CCC)C(=O)Nc1nc(C)cc(C)c1C#N 598854217 RNDPKSUIYHJFTN-UHFFFAOYSA-N 273.380 3.725 30 20 CHED N#Cc1cccc(N2CCC[C@H](c3ccc(F)c(F)c3)C2)n1 599115906 AUYPTWLIYRUBDS-ZDUSSCGKSA-N 299.324 3.615 30 20 CHED N#C[C@@H](SCc1ccc(Br)cc1)C1CC1 601072727 QVQXCHAOQLGTKQ-GFCCVEGCSA-N 282.206 3.984 30 20 CHED Cc1ccc(CN2CCCC2)cc1NC[C@@H](C)CCC#N 602496931 PKYXVZWHHFUERR-HNNXBMFYSA-N 285.435 3.943 30 20 CHED C[C@@H](CCC#N)CN[C@@H](CCC#N)c1ccccc1 602581175 IHCHHOONKZHGFN-HOCLYGCPSA-N 255.365 3.561 30 20 CHED C[C@H](CCC#N)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 602690772 OHVRODSIVPZNPP-AEFFLSMTSA-N 298.430 3.780 30 20 CHED CC(C)(C#N)CCCCn1cc(C#N)c2ccccc2c1=O 603359214 BKJAQEHKWSMQKK-UHFFFAOYSA-N 293.370 3.593 30 20 CHED COc1ccc(C)cc1CNc1c(F)cc(C#N)cc1F 604531477 MNQDOPSJUULHLN-UHFFFAOYSA-N 288.297 3.766 30 20 CHED C=CCNC(=O)[C@@H](C)SC[C@@H](CC)CCCC 609237866 VRZKGMXLYSVEJJ-OLZOCXBDSA-N 257.443 3.627 30 20 CHED C[C@@H](C(=O)N(C)c1ccc(C#N)cc1F)c1ccsc1 609970238 QXRAJUFSBDFEMN-SNVBAGLBSA-N 288.347 3.525 30 20 CHED N#Cc1cccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)c1 610366847 KXJZYDKZYJMRCD-INIZCTEOSA-N 295.317 3.676 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1Cc1cc(F)ccc1C#N 610728807 PEXHWDDYHZCTGM-GFCCVEGCSA-N 298.336 3.956 30 20 CHED Cc1cc([C@@H](C)NCc2cccc(C#N)c2F)ccc1F 611404457 NCSQIGVGALDISH-GFCCVEGCSA-N 286.325 3.996 30 20 CHED CCc1c(NCc2cc(C#N)cs2)cnn1CC(C)C 611442770 YQBREEBNUAURCY-UHFFFAOYSA-N 288.420 3.647 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)CCCC2CCCCC2)C1 612242579 HFKKEPRQIMYQCF-KRWDZBQOSA-N 276.424 3.889 30 20 CHED C=CCC[C@@H](C(=O)NCCC1CSC1)c1ccccc1 616397414 ITVODBWEXDLFJG-MRXNPFEDSA-N 289.444 3.606 30 20 CHED N#Cc1ccc(N[C@H]2CCc3cc(C#N)ccc32)c(F)c1 618693340 FLWVWVYKZKGOTI-INIZCTEOSA-N 277.302 3.668 30 20 CHED CC[C@H](CC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(C)C 618735332 KSJQGGZMHMQODT-PBHICJAKSA-N 284.403 3.734 30 20 CHED C=CCC1(NC(=O)[C@H]2CCCCC2(F)F)CCCC1 619110316 HZDDJLKBRZLOKY-GFCCVEGCSA-N 271.351 3.817 30 20 CHED C[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)c1ccccc1 619766189 RDPQRDHEUIWKKT-LBPRGKRZSA-N 298.773 3.632 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 623746334 CASSFSFUGKQNIC-QMTHXVAHSA-N 278.783 3.591 30 20 CHED C=C(C)CCc1noc(Cc2ccc(O)c(Cl)c2)n1 632137256 JBMIZNMIMJKYNR-UHFFFAOYSA-N 278.739 3.528 30 20 CHED C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(C)cc2C)C1 661378655 JXBIJLHYYVYYLI-MRXNPFEDSA-N 286.419 3.530 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1ccc(C)c(OC)c1 663787120 HVEKZXPCRUJDSI-UHFFFAOYSA-N 290.407 3.548 30 20 CHED C=CCN(C(=O)Nc1c(C)cc(C)cc1C)[C@H](C)COC 665128958 UQHDJQBIVFDDHP-OAHLLOKOSA-N 290.407 3.667 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc3[nH]ccc3c2)C1 665922557 QWUOFGQAJZZDAE-ZDUSSCGKSA-N 283.375 3.988 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCc2cc(OC)ccc2C1 680352328 LUPWQRMCVUBZSJ-SJORKVTESA-N 273.420 3.887 30 20 CHED C[C@@H](NCC1CC(C)(C)C1)c1ccc(OCC#N)cc1 701992981 GEYWDKNSWURVGX-CYBMUJFWSA-N 272.392 3.676 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCCc3occc32)c1 726465600 NWWKVGAEZGBKTO-HNNXBMFYSA-N 296.395 3.625 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 727973118 RCEXLVZXJUANCP-UHFFFAOYSA-N 273.292 3.641 30 20 CHED C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(F)c(C#N)c1 728176150 JPZOQLWIXPHTCB-IINYFYTJSA-N 291.395 3.562 30 20 CHED C=CCCCOC(=O)c1cccn1Cc1cccs1 735530147 DTHMZLUUXNCDAT-UHFFFAOYSA-N 275.373 3.721 30 20 CHED CC(C)(C)CCC(=O)[C@H](C#N)c1nc2ccccc2o1 739155641 JUBSVNMXLNMYKG-NSHDSACASA-N 270.332 3.830 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1cccc(O)c1 739424995 AHXDOPOWOHQGRW-UHFFFAOYSA-N 295.264 3.642 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1/N=C/c1ccccc1O 741465628 WOJGXUDKFYFRQH-TYUUCJPQSA-N 251.329 3.541 30 20 CHED CC#CCOC(=O)c1cccc(OCc2cccs2)c1 744732639 CLZWYNFVIYBIHT-UHFFFAOYSA-N 286.352 3.507 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)OCc2cn3ccccc3c2C#N)C1 745160710 UPOZMNNFQPODOF-ZIAGYGMSSA-N 296.370 3.680 30 20 CHED Fc1ccc2c(c1)C(=NNc1ccc(Cl)nc1)CC2 748789505 RKOUYCNGJWIMPC-UHFFFAOYSA-N 275.714 3.637 30 20 CHED N#CCOc1ccc(CN2CC[C@H]2c2cccc(F)c2)cc1 748831827 CBPVEXAJONGJGF-SFHVURJKSA-N 296.345 3.675 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc2cc(O)ccc2c1 749003545 QJQVVGZIOZZEOO-FPLPWBNLSA-N 292.338 3.781 30 20 CHED C[C@H](C=NNc1ccc(Cl)nn1)CCc1ccccc1 749157111 TXYBUGLTMAGPHB-LBPRGKRZSA-N 288.782 3.797 30 20 CHED C=C(C)CNC(=S)N[C@H](CC)c1ccccc1OCC 751027587 LMQZWMNBOFCSAR-CQSZACIVSA-N 292.448 3.577 30 20 CHED Cc1ccccc1OC(=O)c1ccc(Cl)c(C#N)c1 753996177 QYNHCYQGTHXSQN-UHFFFAOYSA-N 271.703 3.739 30 20 CHED CCC[C@H](C)C=NNc1ccc(Cl)c(C(=O)O)c1 755468208 WLDWIDRFQIIBKE-VIFPVBQESA-N 268.744 3.872 30 20 CHED CCc1cccc2c(C=NO[C@H]3CCCCO3)c[nH]c12 755818379 CABGNPOZPUMUQU-HNNXBMFYSA-N 272.348 3.607 30 20 CHED C(=NO[C@H]1CCCCO1)c1cnc(-c2ccccc2)s1 755818527 RVBCDMYXBHUTIS-AWEZNQCLSA-N 288.372 3.687 30 20 CHED Cc1ccnc(NN=Cc2ccccc2N2CCCCC2)c1 755900657 NSAYYYJKIAPLAS-UHFFFAOYSA-N 294.402 3.826 30 20 CHED C=CCN(C(=O)N[C@H](C)CCCC(F)(F)F)C(C)C 756040259 ISHWMLWAGUZGRE-LLVKDONJSA-N 280.334 3.714 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccc(F)cc1 759072424 KAUMBGFPTWIJMB-AATRIKPKSA-N 267.712 3.832 30 20 CHED C#CCCc1noc(COc2ccc(Cl)cc2Cl)n1 762015958 HCAPNTCBDSOSND-UHFFFAOYSA-N 297.141 3.521 30 20 CHED C=CCCCCCN(C)C(=O)c1nc(Cl)sc1C 762871376 COCKITODAZVYSD-UHFFFAOYSA-N 286.828 3.923 30 20 CHED CCCCCCCCN1CCN(CC(F)(F)F)[C@@H](C)C1 762927970 NLHIYEKECTVZHC-AWEZNQCLSA-N 294.405 3.915 30 20 CHED CC#CC(=O)Nc1ccccc1Oc1cccc(C)c1 763927368 ZLNNHOJSPUZGBP-UHFFFAOYSA-N 265.312 3.749 30 20 CHED Cc1cc(C=NNc2ncnc3ccsc23)c(C)s1 764842282 YCHKXBPNBUQQJR-UHFFFAOYSA-N 288.401 3.816 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C(C)(C)C)ccc1OC 767046711 KZRGRGRFFATEHI-UHFFFAOYSA-N 287.403 3.981 30 20 CHED C#CCC(C)(C)C(=O)Oc1ccc(Br)c(C)c1 767100079 MOSOFFJNESSOAA-UHFFFAOYSA-N 295.176 3.712 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CC[C@@H](C)[C@@H](C)C2)o1 767380012 OWCQPTHBHGONHE-MNOVXSKESA-N 274.368 3.894 30 20 CHED CC(C)COc1ccc(C(=O)OCC2(C#N)CCC2)cc1 768109151 VRUJIAJNAXYBFA-UHFFFAOYSA-N 287.359 3.572 30 20 CHED Cc1ccc(C=NNc2c(F)cccc2Cl)cn1 769827459 ZCYQMGXGRLMUBU-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C#Cc1ccc(-c2nc(C(C)(C)C3CCCCC3)no2)nc1 771587685 ODLJPCPPWHFLKA-UHFFFAOYSA-N 295.386 3.971 30 20 CHED Cc1ccnc(N[C@@H](C)c2ccc(N(C)C)cc2)c1C#N 772294758 DQRJQUDKEWFYHP-ZDUSSCGKSA-N 280.375 3.501 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 773312062 PMHMAHUBUXEJSH-XLAORIBOSA-N 287.447 3.997 30 20 CHED CC(C)Cn1ccc2c(C(=O)OCC3(C#N)CC3)cccc21 773706440 GBDZALIYKCUDGV-UHFFFAOYSA-N 296.370 3.758 30 20 CHED Cc1ccc(CON=C2CCCOCC2)c(Cl)c1 774835254 ZDFQLGJKYBIUFA-UHFFFAOYSA-N 267.756 3.722 30 20 CHED CC(C)(C)SCCCOC(=O)Cc1ccc(C#N)cc1 775295367 BONBXBVYXYAGDX-UHFFFAOYSA-N 291.416 3.566 30 20 CHED CCCCCCCCNC(=O)N1CC[C@@H]1C(C)C 776056357 OPWWUDZNKSQZOD-CQSZACIVSA-N 254.418 3.787 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cc(F)c(F)cc1F 776192348 OYSXMDMYZVJKDU-ONEGZZNKSA-N 291.272 3.957 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(C#N)c(F)c1 776726664 LIAFDDNBWHARRK-PLNGDYQASA-N 287.315 3.664 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccc(F)c(C#N)c1 776850502 SICPAVGSFBJQKG-UHFFFAOYSA-N 294.333 3.613 30 20 CHED CC[C@@H]1CCCCC1=NNc1cc(Cl)nc(C)n1 779772044 LWEYPRIEIMSHCD-SNVBAGLBSA-N 266.776 3.807 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 779948497 BCHDKYJPBMMKHE-IAGOWNOFSA-N 293.451 3.670 30 20 CHED CCC[C@@H](C)C(CC)=NN[C@@H]1CCOC(C)(C)C1 780253536 WVZMUTZTQHAPQY-CHWSQXEVSA-N 254.418 3.736 30 20 CHED Clc1ccc(CNN=Cc2scnc2C2CC2)cc1 782256568 ZFQYVIZHSCFDIQ-UHFFFAOYSA-N 291.807 3.798 30 20 CHED CCCCCCCC(=O)Nc1cccc2c1OCO2 782488893 FNUQODCMDZVBMU-UHFFFAOYSA-N 263.337 3.714 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2cc[nH]c2c1 782860824 QEZBBAIBERLJKD-UHFFFAOYSA-N 270.332 3.655 30 20 CHED Clc1cc(C=NOCc2ccccc2)c2c(c1)CCO2 782899639 BFKBSBDYKZCJAN-UHFFFAOYSA-N 287.746 3.826 30 20 CHED CC(C)(C#N)CNCc1cc(Cl)cc(C(F)(F)F)c1 783666872 JNDQMSHXQQJKDY-UHFFFAOYSA-N 290.716 3.998 30 20 CHED CCCCCCCCNC(=O)c1c(C)noc1C1CC1 784091409 YRECMRCMAFJRRT-UHFFFAOYSA-N 278.396 3.951 30 20 CHED C=CCOc1ccc(CNC23CCC(CC2)C3)cc1OC 784640325 HTBDPBSTBYLHLW-UHFFFAOYSA-N 287.403 3.682 30 20 CHED CCS[C@@H](C(=O)OCc1cccc(C#N)c1F)C(C)C 785826167 RDFNZSQKWAFPLR-CQSZACIVSA-N 295.379 3.518 30 20 CHED C=CCCN(C)C(=O)c1sccc1-n1c(C)ccc1C 786224630 ZAECJSXMAFUPAB-UHFFFAOYSA-N 288.416 3.804 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cc(N2CCNC2=O)ccc1C 786977458 SCVRLVJOPBRLTO-JSGCOSHPSA-N 287.407 3.537 30 20 CHED C[C@@H](C=NN[C@@H](CO)c1ccccc1)CCc1ccccc1 788461642 SANPNUIHAQBXQK-APWZRJJASA-N 296.414 3.564 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCCCCOC(C)(C)C 788795376 LMOUYAVMHDJXMG-AWEZNQCLSA-N 290.407 3.985 30 20 CHED c1ccc([C@H]2CCCC2=NNCCc2ccncc2)cc1 789097540 RNNYIRRTFOIEGQ-QGZVFWFLSA-N 279.387 3.537 30 20 CHED COc1ncc(C(=O)/C=C\c2cccc(C#N)c2)cc1Cl 789157466 MJPNJEVMWSWOAP-WAYWQWQTSA-N 298.729 3.511 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1ccc(Cl)s1 790135638 QKNSVEBUHQKRQQ-INIZCTEOSA-N 275.826 3.590 30 20 CHED Cc1cccnc1NN=Cc1ccc(Cl)cc1F 790193219 YRYPNYXJQDRHJI-UHFFFAOYSA-N 263.703 3.629 30 20 CHED C=C(C)CNC(=S)N(C)C1CCC(CCC)CC1 790363141 XKHJIZOZLXCEKH-UHFFFAOYSA-N 268.470 3.728 30 20 CHED CCCCCCCN1CCN(C)[C@@H](Cc2ccccc2)C1 792939876 IEKPEWWRLVPDGB-IBGZPJMESA-N 288.479 3.816 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCc2ccc(OCC#N)cc2)C1 792975916 IKGVXYCULRMTJY-SJORKVTESA-N 286.419 3.893 30 20 CHED COc1ccc(NN=C(C)[C@@H](C)OC)c(C(F)(F)F)c1 793099782 XDKCIQHTFJQTMM-SECBINFHSA-N 290.285 3.537 30 20 CHED CSCCON=Cc1csc2ccccc12 794577624 XUFNRQAQLXWUQS-UHFFFAOYSA-N 251.376 3.615 30 20 CHED C#CCCCN[C@@H](c1cc(F)ccc1F)C(C)C 794802124 MTNZWPIBAGQGMC-OAHLLOKOSA-N 251.320 3.665 30 20 CHED CC(=NNc1ncccc1F)[C@@H](C)c1ccccc1 794982787 BKYCBADUPCIKNN-LLVKDONJSA-N 257.312 3.812 30 20 CHED C=CCNN=Cc1ccc(-c2cccs2)cc1F 795003596 MBTSRZSPCXAGRO-UHFFFAOYSA-N 260.337 3.664 30 20 CHED C#Cc1cccc(NC(=S)N(C)[C@H]2CCC(C)(C)C2)c1 795026179 OQZGJWPEYMSKPP-HNNXBMFYSA-N 286.444 3.875 30 20 CHED C=C(Br)COC(=O)[C@](C)(CC)CCC 796325291 AKDZEWFOURRNRR-LLVKDONJSA-N 263.175 3.655 30 20 CHED CC(C)(C)CCCON=C(N)c1nccc2ccccc12 799175865 UJBFDOIQOXADRJ-UHFFFAOYSA-N 285.391 3.698 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1C(C)C)C(C)C 799182732 YINIWNDFBGMWKC-AWEZNQCLSA-N 258.365 3.589 30 20 CHED COCC[C@H]1CCCC1=NNCc1cccc(Cl)c1 799881356 OWIAMGPWVFVNCV-CYBMUJFWSA-N 280.799 3.622 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@H](O)c1ccc(C)cc1 804491068 VWUPDXPPFCZEJF-QAPCUYQASA-N 291.435 3.894 30 20 CHED CC(C)(C(=O)[C@@H](C#N)c1ccc2ccccc2n1)C1CC1 805845425 VMSFAQHBGPNLES-AWEZNQCLSA-N 278.355 3.847 30 20 CHED C#C[C@H](NC(=O)CC1CC(c2ccccc2)C1)C(C)(C)C 807879571 YLNGGKSONWITEJ-PREGVCBESA-N 283.415 3.734 30 20 CHED CCO[C@@H]1CC(=NNc2ccccc2Cl)[C@H]1SC 807943886 NGAJKPIRXZMUJH-CHWSQXEVSA-N 284.812 3.648 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1ccc(C(F)(F)F)[nH]1 807984528 ARHNQUQHWAYPRF-SNVBAGLBSA-N 273.302 3.536 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 810469506 STESHSATAAGVGO-CVEARBPZSA-N 291.394 3.519 30 20 CHED C=CCCCCCCCNC(=O)c1ccccc1[N+](=O)[O-] 810764687 PYKQCPHJXRCTAV-UHFFFAOYSA-N 290.363 3.851 30 20 CHED C=CCCCCOC(=O)CCc1ncc(C(C)(C)C)o1 811009123 QRMGIUDOXZPPSU-UHFFFAOYSA-N 279.380 3.804 30 20 CHED Cc1ncccc1CON=C(c1ccccc1)C(F)(F)F 811181229 YBRGEUJRPGIYPH-UHFFFAOYSA-N 294.276 3.873 30 20 CHED COc1cccc2c1CCCC2=NOC/C=C\Cl 811668923 VXYCXVYWMLXYTF-POUIBZQSSA-N 265.740 3.505 30 20 CHED COc1ccc(F)cc1C=NNCc1cccc(Cl)c1 812226635 QCJPOMMXZUFEIR-UHFFFAOYSA-N 292.741 3.611 30 20 CHED Cc1cc(C)c(C=NNc2ccccc2C(=O)O)c(C)c1 812442041 NQRNRHNSIWSQMB-UHFFFAOYSA-N 282.343 3.756 30 20 CHED COc1cccc(NN=CC2=Cc3ccccc3OC2)c1 812455088 WHPGEOWMTZRZDT-UHFFFAOYSA-N 280.327 3.569 30 20 CHED N#CCCCC(=O)Nc1ccc(N2CCCCCC2)cc1 812455535 LNRTUBSDRLTKDX-UHFFFAOYSA-N 285.391 3.699 30 20 CHED N#CCCCCOC(=O)/C(F)=C\C1CCCCC1 814540094 OCGXYLCAVHEREN-ACCUITESSA-N 253.317 3.657 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2ccc([N+](=O)[O-])cc2)CS1 814682471 NGBJZLBAIZAWDT-CYBMUJFWSA-N 293.392 3.914 30 20 CHED CC[C@H](C=NNc1cc(C)nc(C)n1)c1ccccc1 814807194 JWTDNZQXHFKSJB-CQSZACIVSA-N 268.364 3.685 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 814833133 YZKSUJKQJUAGQO-YNEHKIRRSA-N 271.351 3.673 30 20 CHED C1=C([C@@H]2CCCCC2=NNC2CCOCC2)CCCC1 814868646 BOICPKVVXSRKEY-INIZCTEOSA-N 276.424 3.802 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)OCCC(C)(C)C#N 815349175 WEVYHDPCIJJMBO-UHFFFAOYSA-N 274.364 3.610 30 20 CHED C=C(CC)COC(=O)c1cnc2c(F)ccc(F)c2c1 815355280 XVPNAUIUHRQLES-UHFFFAOYSA-N 277.270 3.636 30 20 CHED C#CC[C@H](NC(=O)c1ccn(C(C)C)c1C)c1ccccc1 815876859 RLOXBXBOBOBPEN-SFHVURJKSA-N 294.398 3.872 30 20 CHED N#Cc1ccc(OCC[C@@H]2CC2(Cl)Cl)cc1 818056183 RIFJLGCIFGHQNQ-SNVBAGLBSA-N 256.132 3.521 30 20 CHED COc1c(C)cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1Cl 818356285 NBPCXDGGRXUAPB-MBNYWOFBSA-N 292.810 4.000 30 20 CHED C[C@@H](NN=C1CCc2ccc(Cl)cc21)c1ccncc1 819816305 IOQDFLRABVWPBQ-LLVKDONJSA-N 285.778 3.736 30 20 CHED CC(C)(C)Oc1ccc(N[C@H]2CCCOCC2)cc1C#N 824721272 BKXAVMWEQWDOKD-AWEZNQCLSA-N 288.391 3.717 30 20 CHED CC(C)(C)Oc1ccc(NCc2ccncc2F)cc1C#N 824721607 FSUNXHHGAWJTQB-UHFFFAOYSA-N 299.349 3.882 30 20 CHED C=CCc1ccc(OC(=O)OC2CCCC2)c(OC)c1 829724575 QDANZPJRJJDIMD-UHFFFAOYSA-N 276.332 3.882 30 20 CHED CCCC(CC)=NNc1cccc(C(=O)OC)c1F 835019096 OBNXCQDORZZFTA-UHFFFAOYSA-N 266.316 3.590 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCC1CCC(F)(F)CC1 837656020 LIZCMLIPHLFULJ-CQSZACIVSA-N 290.350 3.584 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H](OC(C)(C)C)c1ccccc1 839037160 NOWYHPMRPUVIJR-GDBMZVCRSA-N 288.387 3.888 30 20 CHED O=[N+]([O-])c1ccccc1/C=C\C=NOCc1ccccc1 839419931 XOKJRALVVVFQMS-PZDRNHEUSA-N 282.299 3.811 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)nn1C 840713774 RBMUAXJVJGGDKS-JXMROGBWSA-N 298.386 3.659 30 20 CHED C#CCCOc1ccc(CNC[C@H](C)CC(F)(F)F)cc1 840964859 WFHKCLSIOXPZKE-CYBMUJFWSA-N 299.336 3.767 30 20 CHED C[C@@H]1CC/C(=C\C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 841368418 JFDPBVFADDUWCZ-RHOAAEBCSA-N 294.398 3.798 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1nc(C2CC2)cs1)c1ccco1 842940528 GBYWXSSASSTVQC-GXSJLCMTSA-N 286.356 3.593 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(OCCC(C)C)cc1 844553181 PMNVADBTYFRRBR-CYBMUJFWSA-N 292.379 3.739 30 20 CHED C=C[C@H](C)ONC(=O)Nc1c(F)cccc1SCC 844666707 JXMGTXLDFURJGF-VIFPVBQESA-N 284.356 3.565 30 20 CHED C=C[C@H](C)ONC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 845634414 SWNWHSMHMSHBJX-JSGCOSHPSA-N 294.395 3.967 30 20 CHED C=CCC1(C(=O)OCCc2noc3ccccc23)CCC1 847772090 MGFXPOPVWNOLPN-UHFFFAOYSA-N 285.343 3.660 30 20 CHED CC[C@]1(C)CCCC1=NNc1ccc(CC(=O)O)cc1 848413254 BCBHWURFEKKVIM-MRXNPFEDSA-N 274.364 3.682 30 20 CHED CCCCCCCCNC1CCN(C[C@@H]2CCCO2)CC1 848532229 ARQWLASWUWPGAI-SFHVURJKSA-N 296.499 3.580 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 848563061 QQMMKKSLYWPQOT-LEUOFYLZSA-N 296.414 3.669 30 20 CHED CCCCCCn1cc(CC2(C#N)CCCCC2)nn1 849139506 FIKYEZLJIFGDJZ-UHFFFAOYSA-N 274.412 3.875 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CCO[C@H](CC)C1 851141453 AQWSUARNAIWVNI-FPCVCCKLSA-N 280.408 3.870 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc2occc2s1 851209745 OPASCIDKBCXPPL-SECBINFHSA-N 277.345 3.979 30 20 CHED Cc1cc(C)cc(OCC(=O)O[C@H](C)CC(C)(C)C#N)c1 851213385 FYSCIXGNVRNRPF-CQSZACIVSA-N 289.375 3.554 30 20 CHED C#C[C@](C)(CC)NCc1nc2cc(C(F)(F)F)ccc2o1 852102234 XAZQWVFTTKFZFB-CQSZACIVSA-N 296.292 3.738 30 20 CHED C#Cc1cccnc1N1CC[C@@H](CSc2ccccc2)C1 853391009 WCISRTPUNJNDFP-OAHLLOKOSA-N 294.423 3.682 30 20 CHED C[C@H]1C(=NNc2cc(F)cc(Cl)c2)CC[C@H]1CC(=O)O 853395771 KKZQHXFEQRLFDB-BDAKNGLRSA-N 298.745 3.768 30 20 CHED Fc1ccc(C(C[C@H]2CCOC2)=NOCC2CCC2)cc1 853440446 DBCGJRBETZZKMI-CQSZACIVSA-N 291.366 3.773 30 20 CHED COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)C#CC(C)C 854418186 LYCKNYIERXAABU-NVXWUHKLSA-N 299.414 3.654 30 20 CHED CCCCCCCNC(=O)N1CCC(C)(OCC)CC1 858113486 KFLDPFOLLPPOPN-UHFFFAOYSA-N 284.444 3.557 30 20 CHED C=CC(C)(C)C(=O)OCc1nc2cc(C)ccc2s1 859711169 VKRHJHRYFCOXPB-UHFFFAOYSA-N 275.373 3.860 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H](C)c1ccco1 860683477 AJBRZUZHKARISS-OLZOCXBDSA-N 298.342 3.703 30 20 CHED CC(=NOC1CCOCC1)c1cccc(C(C)C)c1 863107985 DSPRMLOVMPKYIL-UHFFFAOYSA-N 261.365 3.730 30 20 CHED Fc1ccc(NN=C2CC(C(F)F)C2)cc1Cl 863179393 VHWCFQLTHUWFPJ-UHFFFAOYSA-N 262.662 3.922 30 20 CHED CCC(C)(C)c1noc(CC2(C#N)CCCCC2)n1 867169885 VSPDZAQCWOAEDC-UHFFFAOYSA-N 261.369 3.774 30 20 CHED C#CCCCCCC(=O)Nc1cccc2oc(C)nc12 868765739 HBQOVIUCTGXTON-UHFFFAOYSA-N 270.332 3.658 30 20 CHED C=CCC[C@@H](C)OC(=O)c1c(C(F)F)nc2n1CCCC2 869844284 MXRAVALHOWVASL-SNVBAGLBSA-N 298.333 3.669 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)c(F)c(F)c1F 871269956 WEHCOTNOAWMTJC-ZDUSSCGKSA-N 275.245 3.784 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)[C@H](C#N)c1ccccn1 873497641 NQSSNGLHVLPXMD-DLBZAZTESA-N 292.382 3.835 30 20 CHED C=C1CCN(C(=O)[C@@H](CC)Cc2cccc(C)c2)CC1 874382372 HVZNDHWOCOHXJS-KRWDZBQOSA-N 271.404 3.742 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nn(C(C)C)cc1Cl 889543134 RUEAETRUBHRPNS-UHFFFAOYSA-N 284.791 3.547 30 20 CHED C=CCC(F)(F)C(=O)N1Cc2ccccc2[C@@H]1CC 890613639 JIUNMIUPQOURBU-ZDUSSCGKSA-N 265.303 3.691 30 20 CHED CS[C@H]1CCC[C@@H](Nc2cccc(CC#N)c2)C1 894767528 BRFNSPKOVZYNIO-CABCVRRESA-N 260.406 3.839 30 20 CHED CSCc1nnc(SCCCCC2(C#N)CCC2)o1 901441613 JTHGVGBDNQGVSK-UHFFFAOYSA-N 297.449 3.889 30 20 CHED CC[C@H](NCc1sc(C)nc1C)c1cccc(C#N)c1 902820575 SGPLGQBXQGBXBP-HNNXBMFYSA-N 285.416 3.873 30 20 CHED CCOc1ccc([C@@H](C)NCC(C)(C)C#N)cc1OCC 903100355 ORLLQGSQFWTHCL-CYBMUJFWSA-N 290.407 3.684 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1ccc(NC(=O)OC)cc1 904230015 WKDABIPBWMYNGP-LBPRGKRZSA-N 291.347 3.510 30 20 CHED CCn1ccnc1C(C)=NNc1ccc(Cl)c(C)c1 905510952 YJKRWDPGBIDNDJ-UHFFFAOYSA-N 276.771 3.701 30 20 CHED CC(C)(C)OC(=O)Oc1ccc(Br)c(C#N)c1 908272710 NVQMJQZWLABQAJ-UHFFFAOYSA-N 298.136 3.635 30 20 CHED CC(=NNC(=S)Nc1cc(C)ccc1C)C(C)C 915911701 ANMOAPTXJCUNFS-UHFFFAOYSA-N 263.410 3.622 30 20 CHED CCc1ccc(C(C)=NNc2cc(C)nc(C)n2)s1 915967982 NPTWLWIBCOPTAM-UHFFFAOYSA-N 274.393 3.553 30 20 CHED Oc1cccc(/C=N/Cc2csc3ccccc23)c1O 915982109 PBYRKGMWLOOFHG-CAOOACKPSA-N 283.352 3.932 30 20 CHED O=C1CCc2cc(C(=O)/C=C\c3cccc(F)c3)ccc2N1 915993723 XVTOUHAQOQVMLY-YWEYNIOJSA-N 295.313 3.607 30 20 CHED Cc1nc2ccccn2c1C=NNc1ccc(Cl)cc1 916247065 XTXRUSIRXDYIHH-UHFFFAOYSA-N 284.750 3.742 30 20 CHED CC(C)OCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 916552273 AQIWVMZJXYKUEO-UHFFFAOYSA-N 295.338 3.702 30 20 CHED Clc1ccccc1NN=Cc1cccc2c1OCCO2 917532648 OASBUECROOUPME-UHFFFAOYSA-N 288.734 3.557 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CCc2cc(C)ccc21 920178468 RHEZHLNFUIQFAX-YDDPGSGASA-N 281.355 3.816 30 20 CHED CC(C)(C)c1ncc(C=NNc2ccccc2)s1 920356999 RRPGQQRGYDUZMR-UHFFFAOYSA-N 259.378 3.887 30 20 CHED Cc1cccc2c1OCCC2=NNc1ccc([N+](=O)[O-])cc1 920357413 VNWFEHLGTUFZLA-UHFFFAOYSA-N 297.314 3.502 30 20 CHED CCC(C)=NNc1ccc(Br)c(C)c1 920479964 XOXHNPODUCNJTQ-UHFFFAOYSA-N 255.159 3.955 30 20 CHED C=CCCOCC(=O)Nc1ccccc1SC(F)F 920736758 BNWQAROHCZHVCE-UHFFFAOYSA-N 287.331 3.533 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H](O)c1ccc2ccccc2c1 934750365 OWEDKIWBPAUVFF-RDTXWAMCSA-N 297.398 3.592 30 20 CHED C#Cc1ccc(NC(=O)N2CC(C)(C)[C@H]2C(C)C)cc1 934927691 DDZGFYIMAXOWLJ-OAHLLOKOSA-N 270.376 3.566 30 20 CHED CC(=NNCC1CCOCC1)C12CC3CC(CC(C3)C1)C2 1116077515 VNYNHPUTWJNXKW-UHFFFAOYSA-N 290.451 3.595 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 1123671076 JUWUBBMQIQCMMP-CQSZACIVSA-N 297.402 3.544 30 20 CHED CC(C)c1cccc(C(=O)N(C)c2ccccc2C#N)c1 1127209788 BZOVZYBHUAHLMR-UHFFFAOYSA-N 278.355 3.958 30 20 CHED CCCCCCCCNC(=O)NCc1ccc(C)cn1 1191072633 PMZQXELCPCXYNR-UHFFFAOYSA-N 277.412 3.550 30 20 CHED CC(C)N1CCCC[C@@H]1CN(C)[C@H](C)c1cccc(C#N)c1 1195368541 WSMXQUQNAHYMOE-VQIMIIECSA-N 299.462 3.814 30 20 CHED Cn1cc(CSCc2ccccc2C#N)c(C(F)F)n1 1255051380 CLNACZBYEOZROJ-UHFFFAOYSA-N 293.342 3.663 30 20 CHED C[C@@H]1CCc2nc(NC(=O)CCCCCC#N)sc2C1 1258469114 TZDYCFCATBKFFP-LLVKDONJSA-N 291.420 3.680 30 20 CHED C=C(CC)C(=O)N(CCOCC)[C@@H]1CCc2ccccc21 1263868228 ZZCQZEJWESZOSC-QGZVFWFLSA-N 287.403 3.505 30 20 CHED CC[C@@H](CNC(=O)c1ccsc1C#N)c1ccccc1 1264870502 OLSKDHNTDPQEQU-LBPRGKRZSA-N 284.384 3.543 30 20 CHED CCO[C@H]1C[C@H](Nc2snc(C)c2C#N)C1(CC)CC 1306981041 BFTAOBSHTASUPO-STQMWFEESA-N 293.436 3.719 30 20 CHED CC[C@@H]1CCC[C@H]1Nc1ncc(Cl)c(C)c1C#N 1307068688 JJBIKELCNBRXLW-ZWNOBZJWSA-N 263.772 3.906 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1ncnc2ccccc12 1307147001 OFDDVWZRVICCDS-ZDUSSCGKSA-N 288.354 3.699 30 20 CHED C[C@H](CCNC(=O)NCC(C)(C)CC#N)CC(C)(C)C 1312504952 BYMGNMGDYDIQJP-CYBMUJFWSA-N 281.444 3.688 30 20 CHED C=CCn1cnnc1S[C@H](C)c1cccc(C)c1 1318734191 QLKPNZPPOBHDAV-GFCCVEGCSA-N 259.378 3.626 30 20 CHED CC#CCCNC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 1320433348 UROWZBFBZQSXEO-MJGOQNOKSA-N 296.414 3.511 30 20 CHED C=CCC[C@@H](C(=O)NC(C)(C)CF)c1ccccc1 1330561267 QQEVJVGUMCLSIV-CQSZACIVSA-N 263.356 3.601 30 20 CHED C[C@@H](CC(=O)N[C@@H](C#N)C1CCCC1)c1ccccc1F 1331522502 WQTAOBCOZDWXST-LRDDRELGSA-N 288.366 3.518 30 20 CHED CC[C@H](C#N)N(CC)C(=O)Cc1cccc(Cl)c1Cl 1339068888 WTANUMUCOCJJSK-LLVKDONJSA-N 299.201 3.687 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(SCC)nc1 1339281241 PGUYNJCSGBCVPV-CQSZACIVSA-N 290.432 3.764 30 20 CHED COc1cc(C=NNCc2cccc(Cl)c2)ccc1F 1341112976 RSDCXRUPUWAJND-UHFFFAOYSA-N 292.741 3.611 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cnc(Cl)cc1C#N 1349666415 BZLSWNKONKOSNA-PWSUYJOCSA-N 291.782 3.762 30 20 CHED Cc1c[nH]c2ccccc2c1=NCc1cc(C#N)ccc1F 1352021600 DURPKDNEJYOIBG-UHFFFAOYSA-N 291.329 3.588 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(F)c(C#N)c1 1360272637 WSBALBPYAOVJAD-OLZOCXBDSA-N 288.366 3.644 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cc(F)ccc1N(C)C 1474760072 GCSIJWXKFLBGFD-GZBFAFLISA-N 289.398 3.625 30 20 CHED CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(CC)[C@H](C#N)CC 1538757672 RZXYFZYPBLFROU-JONQDZQNSA-N 294.439 3.511 30 20 CHED Cc1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc1F 1540387023 SCPKTNIWVRSHTQ-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)NCC(C)(C)CC#N 1564903076 YGUDODYPEOFFOR-LSDHHAIUSA-N 293.455 3.832 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1 1585047353 VXPNMKXLUUMFLO-DOTOQJQBSA-N 284.403 3.895 30 20 CHED C=CC[C@@H]1CC[C@@H](N[C@H](CCC(C)(C)C)C(=O)O)C1 1588458481 VRLRBOFUTCJIMS-MGPQQGTHSA-N 267.413 3.600 30 20 CHED N#Cc1ccc(SCc2ccccc2C(=O)O)cc1 1601114909 YMWYJNMAAGMCMH-UHFFFAOYSA-N 269.325 3.549 30 20 CHED C=CCCC[C@H](NC(=O)CCCCC(C)(C)C)C(=O)O 1602865317 JASDFSFUAIELSV-ZDUSSCGKSA-N 283.412 3.519 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)Nc1scc(C)c1C#N 1624563926 ARTNJTOWOXPIJF-JQWIXIFHSA-N 277.393 3.628 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1cc(C#N)ccc1F 1625455465 STOAWWCGMDONSK-LLVKDONJSA-N 277.343 3.644 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNc1nnc(C)c(C)c1C#N 1639973209 SOTGOSPIZGGPJP-ZIAGYGMSSA-N 272.396 3.593 30 20 CHED CN(Cc1ccc(C#N)cc1)c1nc2ccc(F)cc2s1 1642048261 IEMXQCVFSBANOD-UHFFFAOYSA-N 297.358 3.943 30 20 CHED CC(C)C[C@@H](C)CN1CCCc2cc(C#N)ccc21 1643240134 DMDOBSFWIMDSJZ-CQSZACIVSA-N 256.393 3.993 30 20 CHED CCc1nc(C#N)cc(N[C@H](CC)c2ccc(C)cc2)n1 1650803874 QAWDNFCSQDJRNA-OAHLLOKOSA-N 280.375 3.782 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)c(F)c1 1670704436 HARMMIHEZJMSSM-AAEUAGOBSA-N 289.354 3.645 30 20 CHED C=CCCC1(C(=O)O)CCN([C@@H](C)c2ccccc2)CC1 1776167951 IYWZRSWZLHZTQL-HNNXBMFYSA-N 287.403 3.881 30 20 CHED C=CCCCCN(C)[C@@H](C(=O)O)c1ccc(F)cc1Cl 1776173683 TXYZYKKSKWUXKP-CQSZACIVSA-N 299.773 3.893 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)ccc1F 107905766 WALOSKDZMGKTBN-UHFFFAOYSA-N 299.349 3.815 30 20 CHED CN(Cc1csc2ccccc12)c1ccc(C#N)cn1 52241326 DPAOSNWEZIBKOA-UHFFFAOYSA-N 279.368 3.804 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C#N)C1(C)C 57985689 JIZDQGLPEMCOHZ-DZGCQCFKSA-N 268.360 3.735 30 20 CHED N#CCCCCNC1CCC(c2ccccc2)CC1 178642637 MYKAJTQMLVAYCA-UHFFFAOYSA-N 256.393 3.996 30 20 CHED C=CC1CCN(C(=O)Nc2nc3ccccc3s2)CC1 111419177 RPLUPMICIVTPHZ-UHFFFAOYSA-N 287.388 3.726 30 20 CHED N#Cc1cccc(CN2CCC(c3ccc(O)cc3)CC2)c1 55102882 ZRTITQUFCMIOIC-UHFFFAOYSA-N 292.382 3.643 30 20 CHED N#Cc1ccc(CNCCCc2c[nH]c3ccccc23)s1 176965867 CUYNTUZJTSSRGJ-UHFFFAOYSA-N 295.411 3.823 30 20 CHED N#CCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 52105680 GZPAZZSTHKMTPE-GFCCVEGCSA-N 255.148 3.654 30 20 CHED C#CCCCCC(=O)NCC(C)(C)Cc1ccccc1 119869735 NXNKOJQNVKPGCK-UHFFFAOYSA-N 271.404 3.565 30 20 CHED C=CC[C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccco1 116974233 WQFRJPAOZORAGR-CYBMUJFWSA-N 288.347 3.549 30 20 CHED Cc1ccccc1CC(C)(C)NC(=O)c1cc(C#N)cs1 177039251 QILHSGWEQAROLF-UHFFFAOYSA-N 298.411 3.679 30 20 CHED C[C@@H](NCCCOc1ccccc1)c1cccc(C#N)c1 52092100 ONNOEDIMYLJXJL-OAHLLOKOSA-N 280.371 3.678 30 20 CHED C=CCCCN1CCC[C@@H]1c1ccc(OC)c(OC)c1 117884021 UFSGJRGIHQHWDA-OAHLLOKOSA-N 275.392 3.807 30 20 CHED C=C(Br)CNc1ccc([N+](=O)[O-])cc1Cl 136269130 SHEAVZYVPOYSTJ-UHFFFAOYSA-N 291.532 3.569 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)Cc2ccccc2)s1 112007595 VKHCDOZLCAEOJU-LBPRGKRZSA-N 298.411 3.999 30 20 CHED CC(C)OCCC/N=C/c1cc(Cl)cc(Cl)c1O 60803476 WQSHJUUNKMRORV-LZYBPNLTSA-N 290.190 3.933 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1c(C)[nH]c2ccccc12 179769395 QYVPXHWSQDTDKF-CYBMUJFWSA-N 284.403 3.880 30 20 CHED CSCCCCCC/N=C(/N)Nc1cc(C)cc(C)c1 305837506 XNTDCVXDPXYFMY-UHFFFAOYSA-N 293.480 3.953 30 20 CHED N#Cc1ccc(CNCc2coc(-c3ccccc3)n2)cc1 174475256 XRVKYEHYPJIZJX-UHFFFAOYSA-N 289.338 3.503 30 20 CHED O=C1/C(=C/c2ccsc2)CCc2cc(O)ccc21 60340090 HQIBSLWOISHMAK-KPKJPENVSA-N 256.326 3.666 30 20 CHED N#C[C@H](C(=O)/C=C/C1CCCCC1)c1nc2ccccc2[nH]1 118141139 LKQSMIIWKWPOLI-PLSXKVAHSA-N 293.370 3.876 30 20 CHED COCc1cccc(CN[C@H](CCC#N)c2ccccc2)c1 178755778 LAAHCSAJJOSJFY-LJQANCHMSA-N 294.398 3.968 30 20 CHED CCOc1ccccc1NCc1ccc(O[C@@H](C)C#N)cc1 114766760 GSKXBXZGMAPUAO-AWEZNQCLSA-N 296.370 3.988 30 20 CHED C[C@@H](CN(C)c1c(Cl)cccc1C#N)c1nccs1 302162142 ODGCDFVAOWRXLW-JTQLQIEISA-N 291.807 3.908 30 20 CHED Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc(C#N)c1C 178785515 OPSOZMGRWREQAZ-JTQLQIEISA-N 297.358 3.604 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)cc2F)C1 116812097 KJBTYWHVSPCLBF-BONVTDFDSA-N 294.757 3.681 30 20 CHED CC(C)(C)CCCC(=O)Nc1ccc(C#N)c(C#N)c1 173097888 RRBYPJWVGKFYLY-UHFFFAOYSA-N 269.348 3.585 30 20 CHED C=CCCCC(=O)NC1(c2ccc(F)cc2F)CCC1 179437876 TXEYSBSPHOCYDK-UHFFFAOYSA-N 279.330 3.817 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 174715722 OGTOSIUAJWSXTJ-QGZVFWFLSA-N 285.391 3.797 30 20 CHED CO[C@@H](CNc1cc(C(C)=O)ccc1C#N)c1ccccc1 302019907 HIVJKGGPLOVSMH-SFHVURJKSA-N 294.354 3.560 30 20 CHED C=CCCCN1CCC(C(=O)c2ccccc2)CC1 117871976 CYCCGODRIIKMTF-UHFFFAOYSA-N 257.377 3.548 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)CCCc1ccccc1 179839956 GNSZIXZFIYGOGC-HOTGVXAUSA-N 286.419 3.654 30 20 CHED C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC(C)(C)C1 409720473 NBHLPAIUKZEZBT-JTQLQIEISA-N 297.324 3.844 30 20 CHED N#Cc1ccc(Nc2ccc3nc(C4CC4)sc3c2)nn1 179287476 RSHUGAZFPVZTAK-UHFFFAOYSA-N 293.355 3.579 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(F)c(C#N)c1 170845111 WTAVKXOTDJBHML-UHFFFAOYSA-N 296.301 3.514 30 20 CHED Cc1ccc(C[C@H](C)Nc2nc3ccccn3c2C#N)s1 302193029 RPOBZXBYJBPQPL-NSHDSACASA-N 296.399 3.619 30 20 CHED C=CCOCCCC(=O)Nc1cc(C)c(C)c2ncccc12 173123475 HAFMYRQYQPTPFA-UHFFFAOYSA-N 298.386 3.773 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)cc2cccnc12 123168700 YNDIWQORTNWZBX-LBPRGKRZSA-N 269.348 3.629 30 20 CHED C[C@H](SCCCNc1ncccn1)c1cccc(C#N)c1 189847326 CSCDZWAGMWOVTM-ZDUSSCGKSA-N 298.415 3.645 30 20 CHED CC(C)CSCCCNc1c(C#N)cccc1C#N 302908010 XXCTVQNOQGOPBB-UHFFFAOYSA-N 273.405 3.621 30 20 CHED CCSc1nnc(SCCC(C)(C)C#N)s1 123657495 IUCQAORJGILLGM-UHFFFAOYSA-N 273.452 3.682 30 20 CHED C[C@@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 301698705 CKLMHBPKOYOBFL-SNVBAGLBSA-N 268.282 3.813 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCOC2(CCCCCC2)C1 188523953 FSWULGOQVMRBPD-MRXNPFEDSA-N 279.424 3.541 30 20 CHED CCC[C@H](C)CC(=O)Nc1nc(C)c(SCC#N)s1 122545387 WRDVORVUDQZSCK-VIFPVBQESA-N 297.449 3.832 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCCOc2cc3c(cc21)CCC3 414166274 NECULLUHNIUEJY-QGZVFWFLSA-N 298.430 3.918 30 20 CHED CN(Cc1nccs1)c1cc(C#N)ccc1C(F)(F)F 126141134 ZKBOZMVXHXPIDM-UHFFFAOYSA-N 297.305 3.670 30 20 CHED C=C(C)CSCc1cnc2c(cnn2C(C)C)c1 419416290 IWASALJEJOBYHM-UHFFFAOYSA-N 261.394 3.822 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(C)cc2cccnc12 123372769 GDEKJZAWNYGGLP-UHFFFAOYSA-N 283.375 3.973 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1CC#N 410829968 SUAKEURAXNZECA-UKRRQHHQSA-N 270.376 3.908 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCc1cccc(C)c1 121705442 RSGHNNIIXJVIMF-UHFFFAOYSA-N 286.419 3.906 30 20 CHED CC(C)(C#N)CCN[C@@H]1CCC[C@H]1OCc1ccccc1 503525549 HDRGJKWAGLKMDF-IAGOWNOFSA-N 286.419 3.654 30 20 CHED CC(C)c1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1Cl 189245982 VGEYXHCBUKXMEI-NSHDSACASA-N 278.783 3.838 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)C(C)(C)C#N)C1 412683570 XFTFLBPSTHAFFR-CWRNSKLLSA-N 284.403 3.625 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CC[C@H]1C 501796295 PJUVBUJZVXFNRH-VXGBXAGGSA-N 294.345 3.638 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 120217660 DNZKSLNHUGOGGZ-QWRGUYRKSA-N 284.302 3.550 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(F)c(F)cc1F 128296959 HKQUPOJWSKLGDL-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1cc(CSCCC2CCOCC2)ccc1C#N 419482068 SPOXUYNWJFFQHI-UHFFFAOYSA-N 275.417 3.917 30 20 CHED Cc1cc(NC(=O)N2CCC(C#N)CC2)c(Cl)cc1F 334247231 VJXFGNBQYSNTTL-UHFFFAOYSA-N 295.745 3.555 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1 334229352 IDYPHXDZOYFWHE-UHFFFAOYSA-N 272.254 3.748 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1ccc2c(c1)CCO2 181122507 CQDKAJYELBHDGR-ZDUSSCGKSA-N 294.354 3.524 30 20 CHED C=C(C)CN(CC)Cc1ccc2c(c1)COC(C)(C)O2 186591112 IIUXJIVTGPCKDZ-UHFFFAOYSA-N 275.392 3.730 30 20 CHED C=CCN(C(=O)CSCc1cccnc1)c1ccccc1 78777226 MCCJZFOTUBFNQY-UHFFFAOYSA-N 298.411 3.534 30 20 CHED N#Cc1ccc(SCCCO[C@H]2CCCCO2)c(F)c1 412995997 SBMFYTGBGQUJHI-HNNXBMFYSA-N 295.379 3.723 30 20 CHED C[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1Br 501938602 NFMZHCDYODLZRV-IINYFYTJSA-N 293.208 3.599 30 20 CHED C=CCCC(=O)NCC1(c2ccc(F)cc2F)CCCC1 187860763 MYRBJWREUXXGGA-UHFFFAOYSA-N 293.357 3.859 30 20 CHED CCCCCCCCN1CCC(OC[C@@H]2CCOC2)CC1 131762791 LLIPOYVNCWGHSV-QGZVFWFLSA-N 297.483 3.864 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N(C)C2(C#N)CCC2)c1 506791711 ZFGQSULOLFTHEK-HNNXBMFYSA-N 298.430 3.893 30 20 CHED CC(C)(C(=O)[C@@H](C#N)c1ccccn1)c1cccc(Cl)c1 77865834 MQODJRLZFLXLTA-AWEZNQCLSA-N 298.773 3.889 30 20 CHED CCC[C@H](C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505954339 NMVUPTNQOHTBNX-GXFFZTMASA-N 298.308 3.822 30 20 CHED C=CCOCCS[C@@H](C)c1nc2ccccc2o1 419457505 WVAKWYLFZAWYLL-NSHDSACASA-N 263.362 3.825 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C(C)(C)C 416309106 MRHIIPCIVHOQJT-HZPDHXFCSA-N 284.403 3.845 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(Br)cc1O 134932023 BMKBDYYFPHDVFO-VHSXEESVSA-N 284.197 3.770 30 20 CHED C=CCC1(C(=O)Nc2ccc(C#N)c(C#N)c2)CCCC1 410496594 GGZMVUOWDLVLMJ-UHFFFAOYSA-N 279.343 3.505 30 20 CHED CC[C@](C)(C#N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 340942733 DFZHMFYFJFWWAR-MRXNPFEDSA-N 290.794 3.771 30 20 CHED CCCCCC[C@H](C)NC(=O)C1(C#N)CCCC1 44316474 JISKOLJDIHYRTC-ZDUSSCGKSA-N 250.386 3.545 30 20 CHED CCC(CC)n1ccc(COc2ccc(C#N)c(F)c2)n1 133630726 QBBRBRITNAWTQH-UHFFFAOYSA-N 287.338 3.834 30 20 CHED C=C[C@H](CC(=O)N1CCS[C@H](C)[C@H]1C)c1ccccc1 135173381 MSSCYEHBEIHRHJ-RBSFLKMASA-N 289.444 3.699 30 20 CHED CN(Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1F 44438782 FUNSNNMVMKMOHF-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CO[C@@H]1CC[C@@H](/N=C(/O)Nc2ccc3occ(C)c3c2)C1 329921926 SWSQWVFFXHLKJD-DGCLKSJQSA-N 288.347 3.635 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)N(C)C(C)C 190636663 AFKMBUFSBCLUAZ-UHFFFAOYSA-N 286.828 3.850 30 20 CHED C=CCC(CC=C)C(=O)N(CCC#N)CC(C)(C)C 131172687 SNRKIERJNBRSIG-UHFFFAOYSA-N 262.397 3.543 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)NCCC1=CCCCC1 42837385 JPFGGXWPAGNWGX-UHFFFAOYSA-N 297.402 3.590 30 20 CHED C[C@H](OC(=O)Cc1ccc(C#N)cc1)c1ccccc1F 195424660 TWXCBSJWJXYYBV-LBPRGKRZSA-N 283.302 3.544 30 20 CHED CC(C)(C)CCC(=O)N[C@@H](C#N)c1ccccc1Cl 505693185 CTGNLITXGVXEMF-ZDUSSCGKSA-N 278.783 3.847 30 20 CHED N#Cc1ccc(Cc2nc(-c3ccc(Cl)cc3)no2)cc1 225258263 BLNQWXJTQXAQDF-UHFFFAOYSA-N 295.729 3.852 30 20 CHED C=CCSCCN[C@@H]1CCSc2ccc(OC)cc21 191529084 RXYPYRJGWHUBCO-CQSZACIVSA-N 295.473 3.741 30 20 CHED COc1ccc(NCc2ccc(C#N)s2)cc1Cl 135683725 KXTNGDKPMTXCGI-UHFFFAOYSA-N 278.764 3.894 30 20 CHED C=C(C)CCSc1nc2ccccc2n1CCOC 505427034 JTHLFXHKOMIWBT-UHFFFAOYSA-N 276.405 3.741 30 20 CHED C#CCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 192130546 CSGIWQHTGRZYKY-HOTGVXAUSA-N 269.388 3.503 30 20 CHED CC(=O)c1c(F)cc(F)cc1OCc1cccc(C#N)c1 428034800 ULBMZXPJNWXGCD-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=CCSCCNC(=O)N[C@@H](C)c1ccc(Cl)cc1 194560826 SAARGLXWGRQYFS-NSHDSACASA-N 298.839 3.619 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c(OCC)c1 190732901 LYJXGISVQCDOOT-MRXNPFEDSA-N 277.364 3.635 30 20 CHED Cc1cc(/C=C/C(=O)c2ccccc2C#N)cc(C)c1O 194587949 ZRJRPFOCBLBLBS-BQYQJAHWSA-N 277.323 3.777 30 20 CHED C=C1CCN(C(=O)C(C)(C)c2ccc(CC)cc2)CC1 425936706 JIOLTGVLXBXRHD-UHFFFAOYSA-N 271.404 3.705 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@H]1CCC[C@@H]1C#N 331481266 FDBDOACKNDHJNJ-PVAVHDDUSA-N 297.402 3.534 30 20 CHED C[C@H](N[C@@H]1CCCc2c(O)cccc21)c1ccc(C#N)cc1 192353517 ZMOXDZQIZLGDQQ-SCLBCKFNSA-N 292.382 3.992 30 20 CHED CSc1ccc(C)c(NC(=O)c2cccc(C#N)c2)c1 335900656 ISMQXLKRPRHUAW-UHFFFAOYSA-N 282.368 3.841 30 20 CHED CC(F)(F)c1ccccc1N[C@@H]1CC[C@H](C#N)C1 336207538 XJUXWYKJBIWXJH-WDEREUQCSA-N 250.292 3.902 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1c(C#N)nnc2ccccc12 224826022 APVAYDFDULLLOX-MBNYWOFBSA-N 280.375 3.738 30 20 CHED CN(CCc1ccc(F)cc1Cl)CC(C)(C)C#N 515318632 MOEJUAACJXQWRB-UHFFFAOYSA-N 268.763 3.503 30 20 CHED C=CCC[C@H](NC(=O)c1cc(C2CC2)no1)c1ccccc1 337726203 BXOUKLKHROJATA-HNNXBMFYSA-N 296.370 3.989 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@]1(C#N)CC12CCCC2 333208667 PEWOQKUSUJKKTF-VQIMIIECSA-N 294.398 3.573 30 20 CHED Cc1ccc(-c2nnc(S[C@H]3CC[C@@H](C#N)C3)o2)cc1 336113013 BAKMHOLYIQDZSO-YPMHNXCESA-N 285.372 3.829 30 20 CHED C=CCC1(C(=O)NCc2ccc(NCCC)cc2)CCC1 193025051 RPLZGFGLBCOXIJ-UHFFFAOYSA-N 286.419 3.871 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F 424337723 ZWIFCJYZIYUTBA-JFGNBEQYSA-N 298.308 3.770 30 20 CHED CCCCCCCCC(=O)N1CCC(OCC)CC1 194580752 SFAHPQHPFGGXES-UHFFFAOYSA-N 269.429 3.765 30 20 CHED CC(C)=CCNC(=O)c1ccccc1-c1ccccc1C#N 191784684 MFCUNPCGJZPQHL-UHFFFAOYSA-N 290.366 3.921 30 20 CHED CCN(CCOc1ccc(C(C)C)c(C)c1)C[C@H](C)C#N 513415768 LAEYFLZPJQZZHT-OAHLLOKOSA-N 288.435 3.979 30 20 CHED Cc1c(C(=O)NC2(C#N)CCC2)sc2cc(F)ccc12 335143043 DETOTXIACIHYKP-UHFFFAOYSA-N 288.347 3.525 30 20 CHED CCCc1nsc(N(C)[C@H](C)c2cccc(C#N)c2)n1 425282743 OCFWDSORZWNQKG-LLVKDONJSA-N 286.404 3.560 30 20 CHED C=CCN(C)Cc1cn(-c2ccccc2)nc1C(C)C 428391167 WBSFIXUQZCXFBJ-UHFFFAOYSA-N 269.392 3.614 30 20 CHED COCC(C)(C)/N=C(/O)Nc1cc(C)c(Cl)c(C)c1 331259947 ACZISLIPFDLXGH-UHFFFAOYSA-N 284.787 3.708 30 20 CHED Cc1cc(NC(=O)Nc2cccc(C#N)c2C)c(C)cc1O 334493666 VJSBBNUFMKLVKJ-UHFFFAOYSA-N 295.342 3.833 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H]2CSC[C@@H]2C)CCCC1(C)C 510266327 XZRGCUOMQDYQAZ-MJBXVCDLSA-N 296.480 3.514 30 20 CHED Cc1cc2cc(Nc3ccc(C#N)cc3[N+](=O)[O-])ccc2[nH]1 97286509 RRCWSIAAHPTTAT-UHFFFAOYSA-N 292.298 4.000 30 20 CHED C=CC[C@H](CC)NC(=O)c1csc(-c2ccc(C)o2)n1 337101806 WOBXVMSIGFXPQE-NSHDSACASA-N 290.388 3.796 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 517148542 JWZADHZAEYVSCW-RHSMWYFYSA-N 282.387 3.872 30 20 CHED N#CCCC[C@@H](NCC(F)(F)F)c1ccccc1 433040530 QYGGMGQZGFQLOW-GFCCVEGCSA-N 256.271 3.573 30 20 CHED C=CCNC(=O)Nc1cc(-c2ccc(C)o2)ccc1C 432987381 DJBLFIJRTTZWKP-UHFFFAOYSA-N 270.332 3.871 30 20 CHED Cc1nc(Oc2ccc(Cl)c(F)c2)ccc1C#N 386176701 SXZAFVDGEZDWRB-UHFFFAOYSA-N 262.671 3.847 30 20 CHED N#CCC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 336545122 GZJSMXWGEVCCPH-UHFFFAOYSA-N 295.169 3.523 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N(CCC#N)Cc1ccco1 522191728 WWLYHXJKNJLXDB-LSDHHAIUSA-N 288.391 3.738 30 20 CHED C=CCCN(C)CCCOc1cccc(Cl)c1 525329333 WXBQREUUUPQNJF-UHFFFAOYSA-N 253.773 3.617 30 20 CHED CCC[C@H](NC(=O)[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 345754188 CVMSPLMCAIGICI-GWCFXTLKSA-N 298.308 3.822 30 20 CHED C=CCC(CC=C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 246059834 APUPXKOOUAWCKY-VNQPRFMTSA-N 261.409 3.934 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 435738423 AMTXJPOLWDHCRH-SYQHCUMBSA-N 291.357 3.678 30 20 CHED C=CCNC(=O)c1ccc(N[C@@H](C)CCC(C)(C)C)nc1 346414374 INXRIVRZSGXSRD-ZDUSSCGKSA-N 289.423 3.624 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC=C(C)C1 437979452 YAKRSOSKWWTGPQ-UHFFFAOYSA-N 273.401 3.757 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(CC)cc1 436286179 RQXDLFWUGZJPRK-QGTPRVQTSA-N 273.420 3.881 30 20 CHED COc1cc(C#N)ccc1CN1CCCC[C@H]1C(C)C 347268560 ULOJSGBYDSUCEM-INIZCTEOSA-N 272.392 3.577 30 20 CHED C=C(C)CNC(=O)Nc1cc2c(cc1Cl)CCC2 529283598 LDVAQAUIAWNRAD-UHFFFAOYSA-N 264.756 3.526 30 20 CHED CCc1cccnc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 346919412 QNWHHFDSYBJPRA-LBPRGKRZSA-N 299.399 3.714 30 20 CHED Cc1nc2c(s1)[C@H](NCCc1cccc(C#N)c1)CCC2 343521618 VITZDPLDJBJXOA-OAHLLOKOSA-N 297.427 3.533 30 20 CHED CCN(CC)c1ccc(/C=N\[C@@H](C)c2ccccn2)c(O)c1 255621448 NNCCOUOSYHUUPW-DABDWFRDSA-N 297.402 3.814 30 20 CHED CCC[C@H](C(=O)N(C)[C@@H](C)C#N)c1cccc(Cl)c1 602339109 HUKFRWQQJQTPLA-FZMZJTMJSA-N 278.783 3.594 30 20 CHED C[C@H](CCC#N)CNC[C@@H]1CCCO[C@H]1c1ccccc1 602520110 DLUGBNICJDMSQG-NJAFHUGGSA-N 286.419 3.684 30 20 CHED COc1ccc([C@@H](C)NCCCC#N)c2ccccc12 346840014 UGLNDLNYFFNCDU-CYBMUJFWSA-N 268.360 3.803 30 20 CHED C=CCOCCCN[C@@H](CCC)c1ccc(F)cc1F 348031703 KTRXDQYMQMMRPV-INIZCTEOSA-N 283.362 3.988 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2cccc(F)c2)CCCC1 522643032 YVURNVGTDPBQGE-CYBMUJFWSA-N 275.367 3.718 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cncs1)CC2 255471683 XYHXHOWLLGVGRI-KPKJPENVSA-N 255.342 3.664 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc(O)c([N+](=O)[O-])c1 255051522 ORSIWBYZDINYLN-PLNGDYQASA-N 289.312 3.566 30 20 CHED C=CCC1(CNCc2cnc3c(c2)c(C)nn3C)CCCC1 449604405 KIHFHZHKNBHVLO-UHFFFAOYSA-N 298.434 3.503 30 20 CHED C=CCC1(C(=O)N2CCO[C@@H](c3ccccc3)C2)CCCC1 449257435 LVPFBOLDDFWTBP-QGZVFWFLSA-N 299.414 3.723 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@H]1CC[C@H](C)C1 350740540 DQIDCTVTFYJNLS-MJBXVCDLSA-N 276.428 3.602 30 20 CHED CC[C@@H](C#N)NC(=O)c1sc2cccc(C)c2c1Cl 608816657 VTLOASOLLRDYAG-VIFPVBQESA-N 292.791 3.895 30 20 CHED N#CCCN1CCCCC[C@H]1/C=C/c1ccccc1 441175345 XGEOZOHQCIQJHU-FLVLSHQESA-N 254.377 3.858 30 20 CHED CCCOCc1ccccc1CNC[C@H](C)CCC#N 602523003 YCYOOSNIGGSZAY-OAHLLOKOSA-N 274.408 3.643 30 20 CHED C=CCCC1(C(=O)N2CC=C(c3ccccc3F)C2)CC1 356684182 BFLCFKPOUDGTRH-UHFFFAOYSA-N 285.362 3.798 30 20 CHED C=C[C@@H](CC(=O)NCCSCC(C)C)c1ccccc1 536230397 CHJGPBARIXDDGI-HNNXBMFYSA-N 291.460 3.852 30 20 CHED C=CCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 608802602 IFIBIFPYKWFAAD-JTQLQIEISA-N 274.389 3.649 30 20 CHED C=CCC[C@@H](CC)NC1(c2ccc3c(c2)OCO3)CC1 539650123 CGHDPMMAOXHKAA-CQSZACIVSA-N 273.376 3.739 30 20 CHED C=CCN(C(=O)CCc1ccc(C(C)C)cc1)C1CC1 537934648 XELZAQSYFUPVRE-UHFFFAOYSA-N 271.404 3.920 30 20 CHED COc1cc(CNC[C@@H](C)c2cccc(C)c2)ccc1C#N 440828288 SMDRFKKHRNWQSW-OAHLLOKOSA-N 294.398 3.769 30 20 CHED CC(C)(C#N)CCCN1CCC(c2ccc(O)cc2)CC1 266905615 JRUJMJNDHRNCKM-UHFFFAOYSA-N 286.419 3.902 30 20 CHED C=C(C)[C@H](CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21)OCC 535895723 LBFHQPBHIJZCLU-HZMVEIRTSA-N 293.451 3.785 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1CCOc1ccc(C#N)cc1 610002035 XKTMEUGFQOAONQ-QAPCUYQASA-N 286.419 3.838 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cncc(F)c1 619748471 MECOLPBMYLDPNW-JTQLQIEISA-N 289.741 3.597 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 617789996 ZOADPILUJQLRGG-YHUYYLMFSA-N 261.409 3.627 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CC[C@H](C)C2)c1 444146664 UXJMGEJIXWXEJI-JSGCOSHPSA-N 274.364 3.562 30 20 CHED CCSc1ccc([C@H](C)NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1 448911561 MVAQKMYDADFORS-MQIPJXDCSA-N 288.416 3.526 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H]1C1CCCCC1)OCC 535123571 RPIDGGYJDUSVPO-IRXDYDNUSA-N 293.451 3.929 30 20 CHED CC(C)CN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1ccc(C#N)cc1 448820858 FTXMOGYCEGPQBH-SOLBZPMBSA-N 296.414 3.983 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(C)cccc1Cl 451626184 RRIWEBUDLLNZEC-NSHDSACASA-N 251.757 3.733 30 20 CHED N#CC[C@H](CC(=O)Nc1sccc1C#N)c1ccccc1 361444807 XGVZTCOZIXDMFC-CYBMUJFWSA-N 295.367 3.646 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccoc2CCC)C1 617780024 MWWOETGPJWYOBQ-CYBMUJFWSA-N 261.365 3.660 30 20 CHED C=CCCC[C@H](C)NC(=O)CCCC(F)(F)F 538421916 CJIMQUGRUOJLHT-JTQLQIEISA-N 251.292 3.580 30 20 CHED C=CCC1(c2nc(Cc3ccccn3)no2)CCCCC1 453022961 IZHYXAYOQRXUNC-UHFFFAOYSA-N 283.375 3.833 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)CCc2ccco2)c1 456013525 WNWMXSFNTNUZNM-CYBMUJFWSA-N 297.358 3.603 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCC1(C2CC2)CC1 611394414 ILUGSELLPVVWFL-KRWDZBQOSA-N 266.388 3.715 30 20 CHED CC(C)(C#N)CCCCN(C#N)c1ccc(F)c(C#N)c1 277786829 UVYPWDMETBFLQK-UHFFFAOYSA-N 284.338 3.705 30 20 CHED C=CC[C@H](C)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 272883056 NTHMWTZQLDCQMQ-XYJFISCASA-N 272.436 3.594 30 20 CHED C=CCC1(C(=O)Nc2cnc3n2CCCC3)CCCCC1 452334569 VFQAODLSFALYNE-UHFFFAOYSA-N 287.407 3.685 30 20 CHED C=CCC[C@H](C)N[C@@H](CCOC)c1ccc(C)o1 273215026 AAHNRDIZQWCLJJ-JSGCOSHPSA-N 251.370 3.610 30 20 CHED C=CC[C@@H](C(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1ccccc1 458306636 TZFVBRUEZYQAMM-NCOADZHNSA-N 269.388 3.651 30 20 CHED COC1CCC(CCN[C@@H](C)c2cccc(C#N)c2)CC1 542704265 CLYCXVWTNJGUEI-SYJJWHGVSA-N 286.419 3.804 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)c2cc(C#N)oc2C)cc1 367106028 HHEUZZLULKOJFC-QGZVFWFLSA-N 294.354 3.745 30 20 CHED CCO[C@@H]1C[C@H](NCc2ccc(CC#N)cc2)C12CCCC2 450962663 CFMMWPOTRIBFPO-ZWKOTPCHSA-N 298.430 3.580 30 20 CHED CC#CCCNC(=O)N[C@H](CCC)c1ccc(F)cc1F 361528499 WDHODDWTDXWYME-OAHLLOKOSA-N 294.345 3.519 30 20 CHED CC[C@H](NC(=O)CC(C)(C)C#N)C(C)(C)c1ccccc1 278359909 NYRZWXSLHSCXKW-HNNXBMFYSA-N 286.419 3.799 30 20 CHED C=C(CC)CSCCCn1c(O)nc2ccccc21 540193185 BPRSEADMRPLUPE-UHFFFAOYSA-N 276.405 3.831 30 20 CHED N#CCCCC(=O)NC1c2ccccc2Oc2ccccc21 361741458 WDNHKPCQARSRJY-UHFFFAOYSA-N 292.338 3.692 30 20 CHED C#CCCCCc1nc(-c2ccccc2OC(F)F)no1 273672205 HCATVXLSISWPML-UHFFFAOYSA-N 292.285 3.684 30 20 CHED C=CCN(CC=C)C(=O)Nc1nc(C(C)(C)C)cs1 549531233 XOYGNHLFHXKDQJ-UHFFFAOYSA-N 279.409 3.647 30 20 CHED CC[C@@]1(C(C)C)C[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 457316458 ZZWKKXQOXMLWLC-AEFFLSMTSA-N 296.414 3.531 30 20 CHED C[C@@H](c1noc(-c2ccc(CC#N)cc2)n1)C(C)(C)C 547129751 UTEONWUBBQGVKK-NSHDSACASA-N 269.348 3.952 30 20 CHED Cc1nc(CNc2ccc(CC#N)cc2Cl)oc1C 453129871 NUWYWUJABBZBQO-UHFFFAOYSA-N 275.739 3.623 30 20 CHED C=CCN(C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C)C1CC1 540127569 NICQSDAWOMGZGW-JSGCOSHPSA-N 264.413 3.561 30 20 CHED C=C(C)[C@H](CC(=O)N1CCc2sccc2[C@@H]1C)OCC 270162998 ZHSZXMZSGIJPDO-JSGCOSHPSA-N 293.432 3.565 30 20 CHED N#C[C@@H]1CC[C@H](Sc2ccc(C(F)(F)F)cn2)C1 278517099 FYNCEADRVMORHG-SCZZXKLOSA-N 272.295 3.885 30 20 CHED C=CCCCCNC(=O)Nc1cccc2c(OC)ccnc12 545329422 SPVYXFMRTKIKHM-UHFFFAOYSA-N 299.374 3.721 30 20 CHED CC[C@H](Cc1ccccc1)Nc1nccc(C)c1C#N 544143879 RWMMIQSNXBFDFM-OAHLLOKOSA-N 265.360 3.695 30 20 CHED C=CCCCN1CCC(c2cccc(OC)c2)CC1 548075741 RJGPHWKPNFHGKP-UHFFFAOYSA-N 259.393 3.841 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CC=C(C)CC2)c1 270084395 ASTJSQIKZFOMLW-UHFFFAOYSA-N 286.375 3.825 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@@H]3CCC[C@H]32)c1C#N 541280614 VDMPENNMYBWIBT-SMDDNHRTSA-N 275.783 3.684 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 540488119 STHXTYMHCALAHP-BHYGNILZSA-N 286.419 3.662 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@H]1NCCc1cccc(C#N)c1 467445614 LJFAMPFXGBMRQM-RYGJVYDSSA-N 290.410 3.883 30 20 CHED C=CCc1cc(CN[C@@H](C)CCC2CC2)cc(OC)c1O 468847741 FSBBPILSCLUHHG-ZDUSSCGKSA-N 289.419 3.798 30 20 CHED C=CCCN(C)C(=O)NCCCCCc1ccc(F)cc1 466765761 LZGGDBVRMRXCJO-UHFFFAOYSA-N 292.398 3.756 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1nc(C(C)(C)C)cs1)OCC 550105236 RDSAZUVMQKBOJW-LLVKDONJSA-N 296.436 3.750 30 20 CHED CSCc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1 464150489 DGPXJIHWCGXMAB-MRXNPFEDSA-N 290.432 3.608 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(F)cc1Cl 468026660 PGPOJEAYVQUOIB-HNNXBMFYSA-N 283.774 3.740 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@@H](CC)O1 464959598 ALIFXMBTMXSSLM-CVEARBPZSA-N 279.424 3.539 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCCC(C)(C)C#N 288728626 NFPKUVBJJRTCPL-UHFFFAOYSA-N 271.364 3.697 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@@H]1c1ccccc1 289625520 KCDHIKAGLXFMHG-MRXNPFEDSA-N 294.402 3.683 30 20 CHED C=C[C@@H](CC(=O)N1CCC[C@H]1C(F)(F)F)c1ccccc1 637561309 FQOMEQXQRKKHJW-JSGCOSHPSA-N 297.320 3.900 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)[C@@H]2CCC[C@@H]21 556958473 GGCDKXYPUBCEHD-UONOGXRCSA-N 260.406 3.630 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2ccc(F)cc2Cl)C1 463297096 IUIYJKNQJATEEC-SMDDNHRTSA-N 280.774 3.694 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccc2)cs1 285131558 WHFVFWUDCAOMKF-HNNXBMFYSA-N 285.372 3.688 30 20 CHED CC(C)(C#N)CCNc1ccccc1OCC(F)(F)F 288745269 PXJFTINRHQJFIP-UHFFFAOYSA-N 286.297 3.979 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCC23CCCC3)CC1 550644137 NKOFDBTVUJWJRI-KRWDZBQOSA-N 276.468 3.729 30 20 CHED CCc1ccc([C@H]2CCCN(c3cccc(C#N)n3)C2)cc1 553386538 RBKRKOOIMMPNLY-KRWDZBQOSA-N 291.398 3.900 30 20 CHED CC/C(=C\C(=O)N(C)[C@@H](C)C#N)c1cccc(Cl)c1 297646049 AXTHLPMZSGIUIQ-UTEVDWOZSA-N 276.767 3.504 30 20 CHED CC(C)c1ccc(C(=O)OCc2ccc(CC#N)cc2)nc1 291348074 RZHWCFRAHJPRCP-UHFFFAOYSA-N 294.354 3.628 30 20 CHED CN(Cc1ccc(Cl)s1)[C@@H]1CC[C@@H](C#N)C1 293661977 YUMQKUTXBXPNRJ-NXEZZACHSA-N 254.786 3.526 30 20 CHED CCCN(CCc1cccs1)[C@@H]1CC[C@@H](C#N)C1 299201260 FRNIPLRPQVLRFD-ZIAGYGMSSA-N 262.422 3.695 30 20 CHED C#C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(C)(C)C 807880451 JXIOFBGUUIVDDP-AWEZNQCLSA-N 288.778 3.599 30 20 CHED CC(C)Oc1ccc(/C=C/c2ccncc2C#N)cc1 470283930 OXMPKSVJPCWLFA-ZZXKWVIFSA-N 264.328 3.911 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(C2CCOCC2)s1 296259697 XGIJVNUZFDPDAQ-OAHLLOKOSA-N 294.420 3.578 30 20 CHED N#CCCCC(=O)Nc1cccc(NC2CCCC2)c1 290911879 ABXVBPVAUQLPFD-UHFFFAOYSA-N 271.364 3.673 30 20 CHED O=C1/C(=C\c2cccc(F)c2)C[C@H](C(=O)O)c2ccccc21 806559504 BOOLMAZGQVIWDU-LJEUOOAZSA-N 296.297 3.664 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1ccc(C#N)cc1 805696660 ICRJVMDAZDQMTC-CYBMUJFWSA-N 270.332 3.637 30 20 CHED C=CCC1(C(=O)N(C)c2nccs2)CCCCC1 562650826 MIGFMHDITOUQOQ-UHFFFAOYSA-N 264.394 3.633 30 20 CHED C[C@H](C#N)OCCN[C@@H](c1ccc(F)cc1)C1CCCC1 801937735 VBZJPKACAQTKOB-CXAGYDPISA-N 290.382 3.575 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2occc2s1 644961256 WKXLMWLLXIXTEN-UHFFFAOYSA-N 263.362 3.826 30 20 CHED N#Cc1ccc(CN2CC3(CCC3)[C@@H]2c2ccccc2)o1 294033835 VUKVZUCKODVAPR-KRWDZBQOSA-N 278.355 3.878 30 20 CHED C#Cc1ccc(CN(C)[C@H](C)c2cccs2)cc1 809547451 NOYZCSSGZHUYGF-CYBMUJFWSA-N 255.386 3.922 30 20 CHED Cc1ccc([C@H]2CCCN2c2cc(C)nc(C#N)c2)cc1 561143844 LCEZLHKQAPDHJJ-GOSISDBHSA-N 277.371 3.912 30 20 CHED C=CCC1(C(=O)Nc2ncc(C3CC3)[nH]2)CCCCC1 568593442 ZKCSQIVRVRYHLQ-UHFFFAOYSA-N 273.380 3.752 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C 815315118 UBRRZXIKZCDAQY-SNVBAGLBSA-N 299.273 3.719 30 20 CHED CC(CCCC(F)(F)F)=NOCCOC(C)C 812240709 YYXUMLSAZGORJJ-UHFFFAOYSA-N 255.280 3.537 30 20 CHED c1ccc2nc(NN=C3CCCc4sccc43)cnc2c1 814830205 BPNSSIOGEKWHRM-UHFFFAOYSA-N 294.383 3.844 30 20 CHED CCOCSc1nc(-c2ccccc2)ccc1C#N 814751368 LWCSRWUGTMANCI-UHFFFAOYSA-N 270.357 3.706 30 20 CHED CCCCN(C(=O)c1ccc(C#N)o1)[C@H]1CCC[C@@H](C)C1 818802320 MAVYYZZWICFOFJ-KGLIPLIRSA-N 288.391 3.972 30 20 CHED C=CCC(F)(F)C(=O)NCCCc1ccc(C)cc1C 814794900 MPVIQNWKJDYGON-UHFFFAOYSA-N 281.346 3.564 30 20 CHED COc1ccc(C(C)=NNc2ccccc2Cl)cc1O 811628826 ABRCBASCNJBXDC-UHFFFAOYSA-N 290.750 3.890 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCc3c(C)cccc32)CCC1 562312659 LSEZHGZMNXXVQO-MRXNPFEDSA-N 269.388 3.845 30 20 CHED C[C@H](NN=C1CCCc2ccc(F)cc21)c1ccncc1 819816490 KBPGIHIPTMQLHF-LBPRGKRZSA-N 283.350 3.612 30 20 CHED C[C@@H](C#N)OCCSc1ccc2c(c1)CCCC2 817583634 FRINPCCUHMCGHQ-LBPRGKRZSA-N 261.390 3.586 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1(F)CCCCC1 811250292 HYZNHXCXDNQAHC-UHFFFAOYSA-N 269.360 3.922 30 20 CHED C#C[C@H](NC(=O)Cc1ccc(C)cc1)c1ccc(Cl)cc1 811947273 ZCBZLWWEPLRUCQ-KRWDZBQOSA-N 297.785 3.682 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2nc(-c3cccnc3)no2)C1 814948126 ZOHQQZBIUWRYFP-STQMWFEESA-N 299.378 3.746 30 20 CHED CCCC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccccn1 814931519 VZZKPQIJURQJGB-UHFFFAOYSA-N 298.346 3.915 30 20 CHED C=CCCCCCN(C)C(=O)C(C)(C)C1CCOCC1 480093336 NWPJKHYAUSVAAY-UHFFFAOYSA-N 281.440 3.644 30 20 CHED Cc1nnc(N2CCC(C)(CC(C)C)CC2)c(C#N)c1C 571000025 WCCRMAKNIFATSH-UHFFFAOYSA-N 286.423 3.618 30 20 CHED N#Cc1ccc(C(=O)NCCCCC2CCCC2)s1 487540114 OJRIMIJRIFMTPP-UHFFFAOYSA-N 276.405 3.710 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(C(=O)CC)c1 488901914 OEAJBVHUJMEUKP-OAHLLOKOSA-N 286.375 3.852 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(C)nc1C 814858968 KDKYXWCMDJTYJB-UHFFFAOYSA-N 274.755 3.583 30 20 CHED C=CCNc1cccc(CCC(=O)OC(C)(C)C)c1 480137332 IUEWHUFWOYFSFD-UHFFFAOYSA-N 261.365 3.559 30 20 CHED COc1cccc(Cl)c1CN1CCC(CCC#N)CC1 570838574 CNVOZZJFTJLIJN-UHFFFAOYSA-N 292.810 3.864 30 20 CHED CC(C)c1scnc1C(=O)OCCCC(C)(C)C#N 811266307 WWTJNVVQKQGYPA-UHFFFAOYSA-N 280.393 3.753 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)[C@H]1CCC[C@@H](C)C1 573181440 NXQWYMNWXDFPFA-LDDOYCOJSA-N 288.435 3.791 30 20 CHED CCCC(=NNc1ccc(F)cc1)c1ccccn1 814693495 TZSZMUFIUASOMU-UHFFFAOYSA-N 257.312 3.837 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc(O)c(F)c1 728438988 SPNPHZRTEFPFJA-WAYWQWQTSA-N 286.302 3.744 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)ccc1F 729148922 FXCVRLHCZICCON-VURMDHGXSA-N 285.274 3.938 30 20 CHED CC(=NNc1cccc(Cl)n1)[C@@H](C)CCCCC(=O)O 814939405 POZDNYXRWACROW-JTQLQIEISA-N 297.786 3.804 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Oc2ccccc2)cn1 728451752 IMFFXUFKCDBZPO-UHFFFAOYSA-N 299.399 3.736 30 20 CHED C(/C=C\c1ccco1)=NNc1nnc(-c2ccccc2)s1 814947120 CDDNNLHZLVRVOJ-NWZJMDDBSA-N 296.355 3.909 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)c1cccc(C3CC3)c1)CC2 579974805 ACNMLBYHTVKXPF-UHFFFAOYSA-N 288.350 3.639 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)CCC)c1ccc(Cl)cc1 811949706 LUYFKJINMQATAR-FZMZJTMJSA-N 263.768 3.567 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(Br)o1 814904989 JCCJWRRNHPLTBW-UHFFFAOYSA-N 297.127 3.936 30 20 CHED N#CCCCC(=O)OCCCc1ccccc1Cl 812618506 SPZPLLWCNNFHEC-UHFFFAOYSA-N 265.740 3.510 30 20 CHED COc1ccc(/C=C2/Cc3c(C)cccc3C2=O)c(OC)c1 729151042 ODEIMQYQVDFGDG-ZROIWOOFSA-N 294.350 3.835 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(CCCC)cc1 495279408 GGUWTIFVUIOULD-CQSZACIVSA-N 275.392 3.949 30 20 CHED C#CCOc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 826857401 QIAKTVRKWNSSAN-UHFFFAOYSA-N 296.370 3.501 30 20 CHED Cc1c(C#N)cccc1NC(=O)Cc1cccc(C2CC2)c1 577718309 BPVWJXRKQZJJRK-UHFFFAOYSA-N 290.366 3.925 30 20 CHED Cc1cc(NC2CCC(C)(C#N)CC2)ccc1C(=O)O 570615171 YMMZMMCDBGLBJJ-UHFFFAOYSA-N 272.348 3.578 30 20 CHED CC(C)(C)Oc1ccc(NC[C@H]2CCCOC2)cc1C#N 824721680 HFWVPOVXSJNNSK-CYBMUJFWSA-N 288.391 3.574 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 499496254 HJBHFPKRYGBQDC-KBPBESRZSA-N 274.408 3.615 30 20 CHED CC#CCN(C)C(=O)c1cccc(-c2c(F)cccc2F)c1 576187217 GJNUIWUPKCVVBB-UHFFFAOYSA-N 299.320 3.727 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)CCC2CC2)C1 661037402 KEYDHWGPVWDADC-HIFRSBDPSA-N 264.413 3.563 30 20 CHED C#CCOC(=O)C1(c2ccc(Cl)cc2)CCCCC1 728344887 RVUHNFMSUMEGSH-UHFFFAOYSA-N 276.763 3.718 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H](CC)C1CC1 666688427 MYQJQCIXUQBMBV-MRXNPFEDSA-N 290.382 3.712 30 20 CHED C=CCCCCNc1cccc(C)c1C(=O)N1CCCC1 580157832 PCRWEYKNOJZQNR-UHFFFAOYSA-N 286.419 3.999 30 20 CHED C/C=C(/CC)C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 588569455 YDOCXHIUCGEDGN-VQEQIULKSA-N 294.354 3.724 30 20 CHED CCCCCCCNCc1cc(C(=O)O)c(CC)o1 902060764 JAMLEZHUJYNOQL-UHFFFAOYSA-N 267.369 3.600 30 20 CHED CCCCCCCOC(=O)c1cc2c(nc1O)CCCC2 731737310 HGZGYOPGWTUYDG-UHFFFAOYSA-N 291.391 3.793 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 666046697 PSQCCOFPEGSWAH-UHFFFAOYSA-N 298.390 3.943 30 20 CHED CCC(CC)CN(C/C=C/c1ccncc1)CCC#N 494926752 ZEXBUDOEKXYQFU-FNORWQNLSA-N 271.408 3.747 30 20 CHED C=C(C)CN(CC)c1cc(C(F)F)nc(SC)n1 582497532 VNOKRKYBUNUYPX-UHFFFAOYSA-N 273.352 3.539 30 20 CHED C=CCCN(C)C(=O)c1cc2ccccc2c(Cl)n1 388628021 JXQQMVYTDJOMKD-UHFFFAOYSA-N 274.751 3.536 30 20 CHED C=C(Cl)CNC(=O)C(c1ccccc1)c1ccccc1 736239925 ACPUBCQNGGFDLX-UHFFFAOYSA-N 285.774 3.687 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc(OC(F)(F)F)cc1 837307714 YOHZWAUQSMRWLB-UHFFFAOYSA-N 285.265 3.573 30 20 CHED C=CC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C)c1ccncc1 734652866 USWJYZBSVKLRML-BMFZPTHFSA-N 287.407 3.577 30 20 CHED C#CCCOc1ccc(C(=O)OCCCC(C)(C)C#N)cc1 837792429 NMZQCBIDSCECRT-UHFFFAOYSA-N 299.370 3.575 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)c1 588476514 GQFUIPWELWMOQZ-BMWLXYDHSA-N 292.338 3.577 30 20 CHED CCCNc1ccc(C#N)cc1NCc1cccc(C)n1 834594494 QXOAOQKPAYMPHJ-UHFFFAOYSA-N 280.375 3.696 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)/C=C/c2ccc3[nH]ccc3c2)C1 839055259 NFAHGBBYMOSRLR-HMQGTJFBSA-N 294.354 3.807 30 20 CHED C=CC(C)(C)COC(=O)[C@@H](OCC)c1ccccc1 835725812 HEBAIJGQODEOHQ-AWEZNQCLSA-N 262.349 3.520 30 20 CHED CSc1ccsc1C(=O)OCc1cccc(C#N)c1 730637140 ORQSWILKMKEJAK-UHFFFAOYSA-N 289.381 3.699 30 20 CHED C=CCCCOC(=O)[C@H](C)SCc1ccccc1 735530856 QXPNOWFDLJTGMJ-ZDUSSCGKSA-N 264.390 3.818 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N(C)C1CC1 734269968 OVKZKBBAPYGEBT-CYBMUJFWSA-N 254.418 3.787 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@@H]1CCCCS1 839434800 HOGQPADAZLPQCF-INIZCTEOSA-N 296.395 3.936 30 20 CHED C=C(C)COC(=O)Cc1c(Cl)cccc1Cl 916588149 XDISQYGCLVECLS-UHFFFAOYSA-N 259.132 3.655 30 20 CHED CCCC(=NNc1cc(C)nc(C)n1)c1ccccc1 915970724 KVBJSQLIGPFMHB-UHFFFAOYSA-N 268.364 3.710 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](CC#N)C1 597910065 VAZKNBNFEZWGIW-HOTGVXAUSA-N 284.403 3.641 30 20 CHED CCN(C(=O)C1CC(C)(C)CC(C)(C)C1)[C@H](C)C#N 598349473 KXOOFIBJFXZFMH-GFCCVEGCSA-N 264.413 3.599 30 20 CHED C#Cc1cncc(C(=O)N(C(C)C)[C@H](C)c2ccccc2)c1 839365717 LTRVFIPJWCGDHZ-OAHLLOKOSA-N 292.382 3.675 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc2c(c1)CCCC2 915985678 OWORRIOSBPLFAQ-KTKRTIGZSA-N 280.371 3.801 30 20 CHED CC(=NNc1ccc(F)cc1)c1cc(F)ccc1O 916581218 TZDXLMPCPINQJE-UHFFFAOYSA-N 262.259 3.507 30 20 CHED Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H](C#N)C1)C(C)C 918143682 CXNDXPPALBPNMJ-DOTOQJQBSA-N 299.418 3.637 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C1CCC1 594277832 OFEZVAKREAMEBI-KDOFPFPSSA-N 296.414 3.528 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 593404928 ZFOCTBHCNJSEHV-JTQLQIEISA-N 285.347 3.614 30 20 CHED C=C[C@@H](C)ONC(=O)N(CC(C)(C)C)CC(C)(C)C 845624766 QJEAJSYRCPFBPJ-GFCCVEGCSA-N 270.417 3.596 30 20 CHED C/C=C(\CC)C(=O)N(CC#N)c1ccc(Cl)cc1 843610314 GIAWHHNYUYRQEL-QDEBKDIKSA-N 262.740 3.553 30 20 CHED Cc1ccccc1CN(C)C(=O)CC1(C#N)CCCCC1 596649815 LWPWJBQKDOXDLB-UHFFFAOYSA-N 284.403 3.818 30 20 CHED Cc1cccc2c1C/C(=C\c1scnc1C)C2=O 742435385 WUAJBNULHFCFLE-YRNVUSSQSA-N 255.342 3.582 30 20 CHED Cc1ccccc1N=C1NC(=O)/C(=C/c2occc2C)S1 742346956 SBDITFYBJMHIAY-ZROIWOOFSA-N 298.367 3.788 30 20 CHED C=C(C)CCOC(=O)C1(c2ccc(OC)cc2)CCC1 744300433 XULABLYCBAGRMZ-UHFFFAOYSA-N 274.360 3.626 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)s1 742436009 DMKUNHIQZAQYAD-VOTSOKGWSA-N 270.353 3.983 30 20 CHED CCc1nocc1CON=Cc1ccccc1OC(C)C 848507659 SBDQEKFFERKHGV-UHFFFAOYSA-N 288.347 3.575 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C(C)=C\c1ccc(Cl)cc1 847168449 MULCFDKWZOMZMF-FPAJZGIOSA-N 276.767 3.504 30 20 CHED COC[C@H](CC(C)(C)C)Nc1ccc(F)cc1OCC#N 845950239 GOYORZYPERRFOU-ZDUSSCGKSA-N 294.370 3.591 30 20 CHED C=CCCSCCNC(=O)N(CC)Cc1cccs1 595723332 WJZKOJVYGHICGP-UHFFFAOYSA-N 298.477 3.589 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 743539151 UZFDIJXQFQBNEU-ZHACJKMWSA-N 297.310 3.890 30 20 CHED C[C@H]1C[C@@H]1C=NOCc1ccc(C(F)(F)F)cc1 746577150 OOBGRLYVNGIEHG-GXSJLCMTSA-N 257.255 3.864 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C1CCCCC1)C1CCC1 592696985 JOGGNNCSSOFAMJ-NVXWUHKLSA-N 276.424 3.791 30 20 CHED Cc1cc(/C=C2\COc3ccc(C(C)C)cc3C2=O)n(C)n1 841485274 IWMZCWXPMINOCP-RIYZIHGNSA-N 296.370 3.511 30 20 CHED CCCOc1ccc(Cl)cc1C(=O)N(C)[C@@H](C#N)CC 594098771 WFBXJCPCTVBTBA-GFCCVEGCSA-N 294.782 3.503 30 20 CHED CC1=CC(=NNc2cccc(C(=O)O)c2C)CCC1 844625223 WPDAQRJNSOCFGE-UHFFFAOYSA-N 258.321 3.591 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C=C(/C)CCC 743684347 YEVKUOSFLKFDHE-NXVVXOECSA-N 271.404 3.990 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@H]1CCc2ccccc21 683788066 FXGYKWQJOPVXRH-HOTGVXAUSA-N 269.388 3.674 30 20 CHED C=C(C)CONC(=O)C(C)(C)Cc1ccc(Cl)cc1 846533745 DSMUGBXTFYEPRS-UHFFFAOYSA-N 281.783 3.533 30 20 CHED CN(C[C@H]1CC1(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 598551165 RKKAPUKWYVDBLO-HZPDHXFCSA-N 284.403 3.578 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](C)c2ccc(C)o2)c1 742579050 OVLJYOHAXDEXPJ-ZDUSSCGKSA-N 285.343 3.895 30 20 CHED CC(C)N(CCSCC1(CC#N)CC1)C(C)C 849891868 WKNXBFIQVCZRNW-UHFFFAOYSA-N 254.443 3.532 30 20 CHED Clc1ccc(-c2ccc(NN=CC3CC3)nn2)s1 848413443 DTEVZRQOQODIJT-UHFFFAOYSA-N 278.768 3.666 30 20 CHED N#C[C@H](C(=O)Cc1ccsc1)c1nc(C2CC2)cs1 842940123 XQEMPBJKPGPQEY-LLVKDONJSA-N 288.397 3.501 30 20 CHED Cc1ccccc1[C@H]1CN(c2ccc(C#N)cc2C)CCO1 846749734 PMFXOCFVWZYTCU-LJQANCHMSA-N 292.382 3.753 30 20 CHED C#CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 757598981 LWBCKLPWDHEGKR-QGZVFWFLSA-N 297.785 3.763 30 20 CHED C=CCCC(=NNc1ccc(C(F)(F)F)nn1)C1CC1 754711577 ZZALPERIRFHZDS-UHFFFAOYSA-N 284.285 3.640 30 20 CHED CCC(=NNc1nc(C(F)(F)F)cs1)C1CC1 755905971 VPLSZBVAHDHUCO-UHFFFAOYSA-N 263.288 3.750 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)CC(C)(C)c1ccccc1 920997717 HSEBYJFPFIAJFK-AWEZNQCLSA-N 290.476 3.783 30 20 CHED Cn1c(C=NOCc2ccccc2)nc2cc(Cl)ccc21 755631597 IYXUMHNHGYFSAA-UHFFFAOYSA-N 299.761 3.777 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc(C#N)c(Cl)c1 926369779 KNGJDWMTTVITBU-NSHDSACASA-N 275.783 3.630 30 20 CHED CCC[C@@H](OCC)C(=O)OCCC1(C#N)CCCCC1 859838357 OYTCWNSBSALQBD-CQSZACIVSA-N 281.396 3.599 30 20 CHED C#CC[C@H](NCc1ccc(OC)c(OC)c1)c1ccccc1 756996845 SHFOOIZHAQKUPT-KRWDZBQOSA-N 295.382 3.558 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Oc1ccc(C#N)cc1 920788719 OUFMBPWJCDBDCF-JSGCOSHPSA-N 257.333 3.680 30 20 CHED CC(=NNc1cc(C)ccn1)c1cccc(OC(F)F)c1 755902600 MMFHBRHLUUVLNQ-UHFFFAOYSA-N 291.301 3.828 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)C1CCOCC1 755872038 NKTSLWLUGFPDQX-UHFFFAOYSA-N 286.297 3.920 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cnn(CC)c2)cc1 920991510 LIONJAPXGPOTRQ-JXMROGBWSA-N 284.359 3.588 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCN2C2CCCC2)n1 924080439 VCKXOAYTOCEMKV-ZDUSSCGKSA-N 275.396 3.613 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NN1CCCC[C@H]1C 853380930 YDTCYRCYWPMNDB-CQSZACIVSA-N 284.407 3.746 30 20 CHED C=C[C@H](OC(=O)c1c(CC)noc1C)c1ccccc1 857659458 YDNUYFYDYWVBNP-AWEZNQCLSA-N 271.316 3.630 30 20 CHED C#CCCc1noc(-c2cc(C(C)(C)C)oc2C)n1 923882050 DLVMIUYWUQHVFM-UHFFFAOYSA-N 258.321 3.501 30 20 CHED C#CC[C@H](NC(=O)CCC1CCCC1)c1ccccc1 757578518 KXACNPXMTQOSOA-KRWDZBQOSA-N 269.388 3.838 30 20 CHED Fc1cccc(NN=Cc2c[nH]nc2-c2ccccc2F)c1 755661187 GGEOFXAURUJJKO-UHFFFAOYSA-N 298.296 3.801 30 20 CHED Fc1ccccc1-c1n[nH]cc1C=NNc1ccccc1 755461228 BEKNXJUFSOHSJO-UHFFFAOYSA-N 280.306 3.662 30 20 CHED Clc1ccccc1NN=Cc1nn[nH]c1-c1ccccc1 755472915 QOPYNTBYAYHZBE-UHFFFAOYSA-N 297.749 3.571 30 20 CHED CC(C)Cc1ccccc1C(=O)N1CCC[C@H](CC#N)C1 855257270 YSWYHJCDXRJCSV-OAHLLOKOSA-N 284.403 3.651 30 20 CHED CO[C@@H](C=NNc1cccc(C(F)(F)F)c1)C1CC1 853257944 FOVXKRSXRFGDTI-LBPRGKRZSA-N 272.270 3.528 30 20 CHED CC(C)CC1(C(=O)OCc2ccccc2C#N)CCC1 757142484 LYYKNFJEPRRGDB-UHFFFAOYSA-N 271.360 3.818 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H](c2ccccc2F)C1 932221773 YQDMMPWVQCEANC-ZIAGYGMSSA-N 275.367 3.744 30 20 CHED COc1ccc(NC(=O)C#CC(C)(C)C)c2ccccc12 862975684 BDYFDSHMXZUFCU-UHFFFAOYSA-N 281.355 3.836 30 20 CHED N#Cc1ccsc1NC(=O)N1CCC[C@H]1C1CCCC1 931847100 SLRZVGROHYYNCM-ZDUSSCGKSA-N 289.404 3.806 30 20 CHED C=CCCC(=O)COC(=O)c1cc2cc(C)c(C)cc2o1 761412949 XHEHNDGWXNQTTQ-UHFFFAOYSA-N 286.327 3.742 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccsc1C(F)F 931304561 TVVISGSIFBCJDB-ZDUSSCGKSA-N 286.347 3.744 30 20 CHED O=C(/C=C\c1nc2ccc(F)cc2s1)c1cccnc1 761473891 IWSAATQUTVXRNR-WAYWQWQTSA-N 284.315 3.727 30 20 CHED Cc1ccccc1C=NOCc1cccc2nsnc12 764532558 CMXIKLMCFMAVBO-UHFFFAOYSA-N 283.356 3.550 30 20 CHED Cc1cc(Cl)ccc1C=NNc1ccc(C#N)cc1 767355840 JXCBRCYEZRXHGQ-UHFFFAOYSA-N 269.735 3.966 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C#N)c(C)c1)C2 766490458 JQALXXCTLVNABK-PXNMLYILSA-N 289.334 3.698 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1nc(C)cs1 863117724 BSYZMUPUUNKZDE-AWEZNQCLSA-N 289.379 3.592 30 20 CHED N#Cc1ccsc1NC(=O)N(Cc1ccccc1)C1CC1 931842026 DLKISJBNFUBJMS-UHFFFAOYSA-N 297.383 3.816 30 20 CHED C#CCC1(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)CCCCC1 862440311 ZWHPWCRVXNBBRG-KBPBESRZSA-N 297.389 3.710 30 20 CHED C#CCCCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767877775 WLYMQZOBXPBROR-CQSZACIVSA-N 281.321 3.908 30 20 CHED Cc1nc(CC(C)C)sc1C(=O)OCC1(C#N)CCC1 768078373 NJRNKPYQHLJDIX-UHFFFAOYSA-N 292.404 3.501 30 20 CHED N#Cc1cc(NC/C=C\Cl)ccc1C(F)(F)F 766776619 XNOGTMWSJFRTLA-RJRFIUFISA-N 260.646 3.741 30 20 CHED Clc1ccc(NN=CCC[C@@H]2C[C@H]3CC[C@H]2C3)nn1 768763985 OSUCVPBJYYFZRU-UTUOFQBUSA-N 278.787 3.744 30 20 CHED CC(C)(C)C1CCC(CC(=O)[C@H](C#N)c2ccncn2)CC1 760341822 VPVYHMXAGVIODR-YMAMQOFZSA-N 299.418 3.895 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](F)c1ccccc1 769001938 AOLPUCCEZSDBIT-OAHLLOKOSA-N 268.291 3.516 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H](F)c1ccccc1 769373311 HORSBOJZBJSENI-INIZCTEOSA-N 290.382 3.876 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](C)c2cccc(O)c21 768664863 QOEBFQGIYPYVOI-AWEZNQCLSA-N 285.387 3.816 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)c2cnc(C)s2)c1O 864347067 JLZAGRJQYMAGJG-SYEOYNTFSA-N 290.388 3.736 30 20 CHED FC(F)(F)c1cccnc1NN=C[C@H]1C[C@H]2CC[C@H]1C2 762417433 GYYISWODTQAOTA-GARJFASQSA-N 283.297 3.934 30 20 CHED N#CCCCC(=O)OCc1cc(Cl)cc(Cl)c1F 869523494 KEMPRNBWYAVDJM-UHFFFAOYSA-N 290.121 3.870 30 20 CHED C=CCC1(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)CCCCC1 1117756686 ONLQWULJXFQIEU-HZPDHXFCSA-N 291.435 3.541 30 20 CHED CC(CCC1CC1)=NNc1cnc2ccccc2n1 768768265 MXDJCCGCSNGXJD-UHFFFAOYSA-N 254.337 3.608 30 20 CHED C#C[C@H](C)N(C)Cc1csc(Nc2ccc(C)cc2)n1 769962370 XVXZESCNVXAIIC-ZDUSSCGKSA-N 285.416 3.649 30 20 CHED C=CCc1ccccc1OC(=O)c1ccc2cc[nH]c2n1 764757917 DQACJMLPCLYBGM-UHFFFAOYSA-N 278.311 3.511 30 20 CHED C#CCCCCCCNCc1ccccc1Cn1ccnc1 876921054 JAJKYZPASKDHTQ-UHFFFAOYSA-N 295.430 3.605 30 20 CHED C#CC[C@@H](NCc1ccc(F)c(OC)c1)c1ccccc1 1116387192 CNXXTBUIGWHQEQ-QGZVFWFLSA-N 283.346 3.689 30 20 CHED C#CCCCCCC(=O)Oc1ccccc1Cl 779707015 QIPWFIFAZWFPRY-UHFFFAOYSA-N 250.725 3.829 30 20 CHED N#C[C@@H](OC(=O)CCc1ccsc1)C1CCCCC1 776367496 DKROKJHFDVTESZ-CQSZACIVSA-N 277.389 3.696 30 20 CHED CC(C)c1ccc2c(c1)CCCN2CC1(C#N)CC1 775976903 BUDVIGBSGWNIIG-UHFFFAOYSA-N 254.377 3.866 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@H]1CCC[C@@H](C)C1 775938674 BHRGVEJURGVJFP-CABCVRRESA-N 285.387 3.854 30 20 CHED C=C[C@@H](Cc1nnc(-c2cccc(C)n2)o1)c1ccccc1 1117247107 MOWDZOMUGLYYKB-AWEZNQCLSA-N 291.354 3.952 30 20 CHED Oc1ccccc1/C=N\Cc1ccc2c(c1)CCC2 1115852214 WTTVRRYSFQRFBI-PDGQHHTCSA-N 251.329 3.500 30 20 CHED C#CCCCOC(=O)[C@H](C)CSCc1ccccc1 772972615 SZOXHIJPHUIVSS-CQSZACIVSA-N 276.401 3.513 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 875537191 WFBANWJXSPLGKG-WZTLGTBRSA-N 298.386 3.742 30 20 CHED CCc1noc(C2CCC(=NOC3CCCC3)CC2)n1 778542672 BXQBCCYPTVALKS-UHFFFAOYSA-N 277.368 3.605 30 20 CHED C=C(CC)COC(=O)c1csc(-c2ccoc2)n1 773515703 IERSDURALVTLNS-UHFFFAOYSA-N 263.318 3.526 30 20 CHED C#CCCCN1CCC2(CC1)C(C)=Nc1ccccc12 878795626 NERMUKINWYRKPC-UHFFFAOYSA-N 266.388 3.540 30 20 CHED C=CC(C)(C)CC(=O)N[C@H](C)[C@H](OC)c1ccccc1F 879390578 ZZEQUEMYGIXACQ-WBMJQRKESA-N 293.382 3.620 30 20 CHED CC(C[C@@H]1CCOC1)=NNc1cc(Cl)ccc1F 872418532 UXWGOTNAFBAFKF-JTQLQIEISA-N 270.735 3.694 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 776375872 OUKKNLBGRYFPRV-GHMZBOCLSA-N 291.313 3.838 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccoc2)c1 772982589 DOWZRMJTDWUIKU-CJNGLKHVSA-N 284.359 3.811 30 20 CHED CCC(CC)C(=O)N1CCC(=NOCC2CCCC2)CC1 771865209 OWYYVUDZAJKEBN-UHFFFAOYSA-N 294.439 3.608 30 20 CHED C/C=C/C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 777973603 QCSMULSRSPCCHB-QHHAFSJGSA-N 278.311 3.865 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1cnn(-c2ccccc2)c1C 773007429 FZSIEMLLYMNUBF-ZIAGYGMSSA-N 269.392 3.796 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1cccc2ccccc12 776359947 OYDHXCSLHLVPET-UHFFFAOYSA-N 281.355 3.865 30 20 CHED C=C1CCC(C(=O)NC(C)(C)c2nc(C)cs2)CC1 889020176 NPKHQMVEFQVJJT-UHFFFAOYSA-N 278.421 3.549 30 20 CHED C=CC(C)(C)CC(=O)N(CC1CCC1)CC(F)(F)F 883980013 BCPRAVBXUVTOKN-UHFFFAOYSA-N 277.330 3.780 30 20 CHED CCOc1ccc(NC(=O)c2csc(C#N)c2)c(C)c1 1125244119 MKOQXOCLIMJGHE-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C#CCC1(OC(=O)/C=C\c2ccc3ccccc3n2)CCC1 788070872 GNRALWMMSKURTP-KHPPLWFESA-N 291.350 3.737 30 20 CHED Clc1csc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)c1 782266905 FRZZSLYVXSPLMJ-AUTRQRHGSA-N 254.786 3.514 30 20 CHED N#Cc1ccc(C=NNc2ccc(C#N)c(Cl)c2)cc1 783881468 ZTDHUCXMDDOBGJ-UHFFFAOYSA-N 280.718 3.529 30 20 CHED C=C(C)COC(=O)c1cc(OC)c(C(C)C)c(OC)c1 781298429 PRWPEYRYRZWOIJ-UHFFFAOYSA-N 278.348 3.560 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1cncs1 787172958 SSOPZXOXMLTBEB-RJRFIUFISA-N 294.719 3.601 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(-n2ccnc2)cc1 785757917 OWCQGBQKUYVVTJ-QGZVFWFLSA-N 284.359 3.518 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccccc1C(=O)O 783817357 SEIWQYPPGRDFND-NWDGAFQWSA-N 260.337 3.609 30 20 CHED CCc1nnc(CON=Cc2ccc(C(C)C)cc2)s1 784046617 VUZNHEIDWBTPCJ-UHFFFAOYSA-N 289.404 3.775 30 20 CHED Cc1ccc(OC(F)F)c(C=NNc2ccnc(F)c2)c1 781132513 NBHNWUYLIJGXCL-UHFFFAOYSA-N 295.264 3.577 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)cc1 1123783084 OIIWZCOLEHFLKE-CYBMUJFWSA-N 283.375 3.551 30 20 CHED C=CCCN(C)Cn1c(SC(F)F)nc2ccccc21 786101747 PGQBYMDGHNMZPA-UHFFFAOYSA-N 297.374 3.816 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1sccc1Cl 782096649 BMHNDQNHWJNARO-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C=C(C)CCc1noc([C@@H](O)[C@@H](C)c2ccc(C)cc2)n1 896281025 MWLMQOPBDZQYPD-BBRMVZONSA-N 286.375 3.724 30 20 CHED CC1(C)C[C@H](NN=C2CCC[C@@H]2c2ccccc2)CCO1 780249296 CODQEIBKMSPLKN-HZPDHXFCSA-N 286.419 3.857 30 20 CHED Cc1nsc(N(C)C(=O)CCCC(C)(C)C)c1C#N 891433061 PUKRSFXWYVCSRZ-UHFFFAOYSA-N 279.409 3.502 30 20 CHED C#CC[C@@H](NC(=O)/C(C)=C(/C)CC)c1ccccc1 780015820 XHASYIRVNGVCKG-OMACXJQVSA-N 255.361 3.614 30 20 CHED N#CC[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 898580987 RETNIXQYSCSLGW-QGZVFWFLSA-N 284.403 3.552 30 20 CHED Nc1ccc(/C=C\C(=O)c2cc3c(s2)CCCC3)cn1 899363401 MGOQIYKJBOTKES-ALCCZGGFSA-N 284.384 3.500 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2scnc2C2CC2)c1 782326053 BDRLINQDGHNNGY-SREVYHEPSA-N 280.352 3.788 30 20 CHED C=C(C)C(C)(C)c1nc([C@H]2CC2(Cl)Cl)no1 896811353 UEYZOASUVZCYRK-SSDOTTSWSA-N 261.152 3.585 30 20 CHED C[C@H](CC#N)NC(=O)c1cc2c(ccc3ccccc32)o1 1136736686 LOQJASOAQUNVPY-LLVKDONJSA-N 278.311 3.618 30 20 CHED CC(C)(C#N)CCCOC(=O)COc1ccc(Cl)cc1 782020595 ADGGVOVXRIRUPE-UHFFFAOYSA-N 295.766 3.592 30 20 CHED C[C@H](NN=Cc1cn(C)nc1-c1cccs1)C(C)(C)C 793110960 DHDGHPPESLYIIZ-NSHDSACASA-N 290.436 3.507 30 20 CHED C=C[C@H](CC(=O)N1CCC=C(Cl)C1)c1ccccc1 898196402 NACGFXWMOPSHHJ-CYBMUJFWSA-N 275.779 3.701 30 20 CHED C=C1CCC(C(=O)N(C)C2CCC(F)(F)CC2)CC1 890950365 BKOOQYURKGIKAA-UHFFFAOYSA-N 271.351 3.769 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](CC)c1ccc(Cl)s1 791067983 MUPQBLFMYBYDAA-QWRGUYRKSA-N 298.839 3.954 30 20 CHED COc1ccccc1CON=Cc1ccc(F)c(C)c1 799118640 OFKXWMDGMZJLCY-UHFFFAOYSA-N 273.307 3.693 30 20 CHED C=C[C@@H](OC(=O)c1ccc(F)c(NC(C)=O)c1)C(C)(C)C 798901736 HLEXEVNHRGGXOB-CQSZACIVSA-N 293.338 3.542 30 20 CHED C=CC[C@@H](NC(=O)CC[C@H](C)CC)c1ccncc1 796483058 PRNZVQZSSOCUEC-UKRRQHHQSA-N 260.381 3.641 30 20 CHED C=C(Cl)CN[C@H](C)CCc1ccc(F)cc1F 796818480 OEUVXVMXNQWSCJ-SNVBAGLBSA-N 259.727 3.628 30 20 CHED C#C[C@H](CCC)NC(=O)c1sc(-c2ccccc2)nc1C 791212755 KTEILDRCZKSXIE-CQSZACIVSA-N 298.411 3.650 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2ccc(N3CCCCC3)cc2)C1 799715823 UVILGADGHDJLEO-QZTJIDSGSA-N 297.446 3.501 30 20 CHED CC(CN1Cc2ccccc2C1)=NNCC1(C)CCCC1 793082467 YWZHQYTXFOFSMP-UHFFFAOYSA-N 285.435 3.548 30 20 CHED Oc1cccc(/C=N\CCCCc2ccccc2)c1O 798068783 WOCJORXTEUKAMD-AQTBWJFISA-N 269.344 3.540 30 20 CHED O=C(/C=C/C=C\c1ccc(F)c(F)c1)c1cncs1 794704158 YYAZOJCWPJVHBR-HSFFGMMNSA-N 277.295 3.874 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)s1 792925612 SXOQISNEPBRFCV-ZHACJKMWSA-N 299.395 3.654 30 20 CHED Fc1cccc2c1SCCC2=NNCCC(F)(F)F 794552638 QJBCYPPPYKEFFB-UHFFFAOYSA-N 292.301 3.568 30 20 CHED COc1ccc(CC[C@H](C)Nc2cc(C)c(C#N)cn2)cc1 1306946125 JHCGYGAQHRHFJH-AWEZNQCLSA-N 295.386 3.704 30 20 CHED Cn1cc(-c2ccc(C=NNc3cccc(F)c3)cc2)cn1 1321100374 WFDJZMQXRFYPOG-UHFFFAOYSA-N 294.333 3.672 30 20 CHED C=C[C@@H](N)c1cc(Br)cc(C(F)(F)F)c1 95643471 XNDPJLAOLSIKQX-SECBINFHSA-N 280.087 3.654 30 20 CHED CCCCCCCCCCC(=O)Nc1n[nH]c(C)n1 728703209 KZONWGGNTXOMFM-UHFFFAOYSA-N 266.389 3.582 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(c2cccc(CC#N)n2)C1 1320490134 LGCWQXNESVAIDU-HOTGVXAUSA-N 291.398 3.839 30 20 CHED C=C[C@H](COC)NCC1CCC(c2ccccc2)CC1 1323732997 YNUQNVWXRRMZKE-VMWRSERWSA-N 273.420 3.751 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1cc(C(=O)O)sc1C 692255102 RASCGYFCTZHOLP-TZMCWYRMSA-N 293.432 3.979 30 20 CHED CC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 79054665 FVYFQWKKEXSTQF-CYBMUJFWSA-N 260.356 3.709 30 20 CHED N#Cc1cccc(C2(c3nc([C@H]4CCCS4)no3)CC2)c1 1323915925 OKJDWPUDFGOJHY-CYBMUJFWSA-N 297.383 3.589 30 20 CHED CCC1(CC)CCN(C(=O)C(C#N)(CC)CC)CC1 62959342 IYONYLZVGYOBSL-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CC(C)(C)Cc1nnc(-c2ccc(Cl)c(C#N)c2)o1 1257903274 BJXDHZJYNJEDQY-UHFFFAOYSA-N 275.739 3.850 30 20 CHED C=CCCSCCNc1cc(Cl)nc(C2CC2)n1 696078982 LSQRFRSOGOIUDS-UHFFFAOYSA-N 283.828 3.729 30 20 CHED N#Cc1cncc(N2CCc3c(-c4ccccc4)cccc32)n1 1186044592 ZEXZVQHHSNKWAV-UHFFFAOYSA-N 298.349 3.709 30 20 CHED CC(C)(C)OCCCC(=O)Nc1ccc(Cl)cc1C#N 1334245759 AAOWVTPYTVPBQU-UHFFFAOYSA-N 294.782 3.745 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc2cc(Cl)ccc2o1 1255018533 HJRONZQTXFCVAU-MFKMUULPSA-N 279.767 3.938 30 20 CHED C=CCC1(N[C@H](C)Cc2ccc(C)cc2)CCOCC1 1334014798 APIDDQJLOMYBPM-MRXNPFEDSA-N 273.420 3.641 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)c1ccc(C)o1 1337487716 FTQUVTLFIRRYQX-UONOGXRCSA-N 261.365 3.649 30 20 CHED CCC(CC)C(=O)N(c1cccc(C#N)c1)C1CCC1 1332593632 UWCTYLFYXGWWLK-UHFFFAOYSA-N 270.376 3.880 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@@H](F)C(C)C)c1cccs1 1345106292 VDWLONYOZMEDAS-KGYLQXTDSA-N 283.368 3.876 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](C)c1cc2ccccc2o1 1343393661 NLNZMMOVCJPLLX-ZDUSSCGKSA-N 296.370 3.549 30 20 CHED Cc1cccc2nc(CSCc3cccc(C#N)c3)cn12 1342154437 PQOFYESYGCWBRU-UHFFFAOYSA-N 293.395 3.948 30 20 CHED C=C(C)CCC(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 1342510965 NOJQSPQWFIUBOH-AWEZNQCLSA-N 294.354 3.724 30 20 CHED CCCC[C@H](C)c1nnc(COc2ccccc2C#N)o1 1261430946 HYAKGGUYKUWACA-LBPRGKRZSA-N 285.347 3.814 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H](CC(F)(F)F)C1 1353714704 OLLBXVGJNPIFOO-LLVKDONJSA-N 263.303 3.534 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)s1 1436536082 FRIPHKIPWGEPSB-NEPJUHHUSA-N 276.405 3.566 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 1520123202 DFRBPXGUQAETEB-CQSZACIVSA-N 262.328 3.788 30 20 CHED CC[C@@H](Nc1nccc(C)c1C#N)c1ccc(F)cc1 1458282361 XNDOKERUZIHSFH-OAHLLOKOSA-N 269.323 3.964 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCC2CCCCC2)C1 1528079658 CVXNXNBQEVGICY-CABCVRRESA-N 263.381 3.972 30 20 CHED C=C(Cl)Cn1c(N(C)[C@@H](C)CCC)nnc1C(C)(C)C 1539820819 RCIBSSDKINEMOY-LBPRGKRZSA-N 298.862 3.953 30 20 CHED CC1(C)CCC(CNC(=O)Nc2sccc2C#N)CC1 1467000471 UNUCUTRQBORPOK-UHFFFAOYSA-N 291.420 3.958 30 20 CHED Cc1c(F)cccc1NC(=O)[C@@H](CC#N)c1ccccc1 1532689062 RRKWCMUFDHUJNA-AWEZNQCLSA-N 282.318 3.770 30 20 CHED N#Cc1cc(F)cc(NCc2c[nH]nc2-c2cccs2)c1 1621032830 OVDHQMUFFJVUCT-UHFFFAOYSA-N 298.346 3.761 30 20 CHED N#Cc1ccc(OCc2cnc3ccccc3n2)c(Cl)c1 1640790749 HWMBXEYTYXTHNU-UHFFFAOYSA-N 295.729 3.734 30 20 CHED CC(C)CC[C@@H](NCc1cc(C#N)ccn1)C(C)(C)C 1642429644 RYVCALQCIXVHPT-MRXNPFEDSA-N 273.424 3.894 30 20 CHED Cc1ccccc1SC[C@H](C)CN(C)C[C@H](C)C#N 1652414433 YMYMZCHQTZSOCV-ZIAGYGMSSA-N 276.449 3.815 30 20 CHED C[C@H](Cc1ccccc1F)Nc1nc(C#N)c(Cl)s1 1650663919 JQOPACYBRILCGW-MRVPVSSYSA-N 295.770 3.850 30 20 CHED C[C@@]1(Cc2ccccc2)CCCN1CC1(CC#N)CC1 1658133276 DJHHSWPPTFSEPF-KRWDZBQOSA-N 268.404 3.777 30 20 CHED Cc1ccccc1C1(CNc2ncc(C#N)cc2F)CC1 1650713900 IKSXRFWSGZIOHS-UHFFFAOYSA-N 281.334 3.545 30 20 CHED CO[C@@]1(C)C[C@@H](NCCC2(C#N)CCCCC2)C1(C)C 1653642597 QOLWHKTZYNGYRY-ZBFHGGJFSA-N 278.440 3.644 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 1669820840 XPQMMGJYUNNLAD-ORIJERBGSA-N 297.402 3.813 30 20 CHED N#Cc1ccc(CCNC(=O)NC2CCCCCCC2)cc1 1674062733 KKLYLVKOAZLLES-UHFFFAOYSA-N 299.418 3.513 30 20 CHED C=CC[C@H](CC(C)C)C(=O)N(C)c1ccccc1C(=O)O 1776150990 INXBEZZCTVNQDN-CYBMUJFWSA-N 289.375 3.586 30 20 CHED C=CCCCCCN1CC[C@@H]2C[C@@H](CC(=O)O)CC[C@H]2C1 1776173380 KIUGRKVIXYDSGJ-BBWFWOEESA-N 293.451 3.946 30 20 CHED Cc1cc(C=NNc2ccccc2C(=O)O)ccc1Cl 1776030539 MVFYRXNAIJZKLF-UHFFFAOYSA-N 288.734 3.793 30 20 CHED Cc1ccccc1/C=C1\Cc2c(O)cccc2C1=O 11335957 BYDHUOKHRIRHPN-UKTHLTGXSA-N 250.297 3.523 30 20 CHED C=CCN(C)C(=O)C1(Sc2ccccc2)CCCC1 161387074 IFJYFQOZXOUBSW-UHFFFAOYSA-N 275.417 3.736 30 20 CHED N#Cc1cc(F)ccc1CSCc1nccs1 161668904 MHLMDTIFIAMNGT-UHFFFAOYSA-N 264.350 3.587 30 20 CHED Cc1ccccc1NC(=O)[C@H](C#N)c1nc(C(C)C)cs1 160087596 MQIWAPUXAHLBJX-LBPRGKRZSA-N 299.399 3.821 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)CCCO)cc1 168307723 NCOFHAXNQBLQSS-KBPBESRZSA-N 297.826 3.630 30 20 CHED C=C(C)CN1CCC(N[C@H](C)Cc2ccccc2C)CC1 153006642 OUVWSXNDQPFEPC-QGZVFWFLSA-N 286.463 3.556 30 20 CHED N#CC1CCN(CCCc2ccc(Cl)cc2)CC1 157676985 SPKTYOWQLQGVGD-UHFFFAOYSA-N 262.784 3.508 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCN(C)[C@H](C)C1 157744444 MQUZITCUZLYBOY-ARFHVFGLSA-N 254.462 3.808 30 20 CHED C#Cc1cccc(CN[C@H](C)c2sccc2C)c1 834902997 NETBZSNXZOLSNC-CYBMUJFWSA-N 255.386 3.889 30 20 CHED C[C@@H]1CC[C@@H](C)[C@@H](Nc2ccc(OCC#N)cc2)C1 221672100 RIZJNAFQHSUCHP-IOASZLSFSA-N 258.365 3.826 30 20 CHED N#Cc1ccnc(Nc2ccc3ncsc3c2)c1Cl 236052356 IMGKJXIFQJVFST-UHFFFAOYSA-N 286.747 3.960 30 20 CHED N#CCC[C@H](NCc1ccccc1)c1ccccc1 130584146 PLHKANBKFKIMPM-KRWDZBQOSA-N 250.345 3.821 30 20 CHED N#Cc1ccc(F)c(CN(Cc2cccs2)C2CC2)c1 42349975 WXKDVSVWRIGYCJ-UHFFFAOYSA-N 286.375 3.923 30 20 CHED Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 37214609 CNDTZLQZBCMGFF-AWEZNQCLSA-N 250.345 3.718 30 20 CHED N#C[C@H](NC(=O)CCCc1cccs1)C1CCCCC1 40360321 LDTDXUOYILHFPU-HNNXBMFYSA-N 290.432 3.659 30 20 CHED C=CCCCN1CC[C@H](C)N(Cc2ccccc2)CC1 464843346 TXBPNAVCCKRESD-KRWDZBQOSA-N 272.436 3.549 30 20 CHED CC[C@H](CC(C)C)C(=O)N(C)c1ccc(C#N)cc1 308093245 VKZSJVVISRHAAC-CQSZACIVSA-N 258.365 3.593 30 20 CHED N#Cc1ccc(NC(=O)c2ccccc2Cl)cc1F 308126715 VSDBNZCHXYMKHX-UHFFFAOYSA-N 274.682 3.603 30 20 CHED N#Cc1ccnc(N[C@@H]2CCCCC23CCCC3)c1 311454969 KIRGPOFKVNDVEK-CQSZACIVSA-N 255.365 3.868 30 20 CHED N#CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 80215695 XTNAQIRRYQBAJI-UHFFFAOYSA-N 293.754 3.516 30 20 CHED CC[C@@H](C)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 86037515 YTPAAIFCNWFRTM-VBJONLRCSA-N 256.393 3.635 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccccc1Br 450657714 ACLBJUSHDODGSE-LLVKDONJSA-N 293.208 3.794 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ccc(C#N)cn1 359872426 GQGXKGDQZHMDFJ-UHFFFAOYSA-N 263.344 3.536 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccn1C 475278556 HUDOEMJMBWPOON-UHFFFAOYSA-N 254.377 3.603 30 20 CHED CN(Cc1cc(F)ccc1C#N)[C@H]1CCC(C)(C)C1 361470353 RPOYEOSKNKOSCU-HNNXBMFYSA-N 260.356 3.708 30 20 CHED C=CC[C@@H](CC)NCc1cc(Cl)c(OC)c(OC)c1 393812790 YXXDSLAHZSCTSC-GFCCVEGCSA-N 283.799 3.802 30 20 CHED C[C@@H](C#N)OC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 5365454 SJDDPACXWZJRSM-CMPLNLGQSA-N 291.416 3.968 30 20 CHED C=CCSc1nnc(-c2ccc(Cl)cc2)o1 6562707 AHVKYMIMPYNCEO-UHFFFAOYSA-N 252.726 3.668 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(Cl)s2)c1 23009782 UOQKEEDITYWWGX-UHFFFAOYSA-N 261.733 3.635 30 20 CHED C#Cc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 23359303 PATLENAORFQRDQ-UHFFFAOYSA-N 288.350 3.721 30 20 CHED Cc1ccc(C[C@@H](C#N)Sc2ncc3ccccn23)cc1 24845273 HGXOJWQZAHFFGS-INIZCTEOSA-N 293.395 3.870 30 20 CHED C[C@@H](N[C@@H]1CCCc2occc21)c1cccc(C#N)c1 37242125 HDULKJOKGXCFNZ-MLGOLLRUSA-N 266.344 3.879 30 20 CHED CC(C)(C#N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 42127846 RFGUYRMQXOGGCR-NSHDSACASA-N 294.807 3.543 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1oc2ccccc2c1C 44239320 KUQXHJGXUMJYJS-LBPRGKRZSA-N 288.416 3.842 30 20 CHED N#Cc1cccc(CNC(=O)c2ccc3ccccc3c2)c1 45213619 TXMFYGIAWICTML-UHFFFAOYSA-N 286.334 3.641 30 20 CHED C[C@@H]1CCCCN1CCCNc1cccc(Cl)c1C#N 48936436 BHGXXZNQONNGEU-CYBMUJFWSA-N 291.826 3.888 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cn1 49151433 KZXBWHCIXNHFCR-JXMROGBWSA-N 268.360 3.614 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(Cl)c(F)c1 49372110 IDNCPNUPBVYBCI-FNORWQNLSA-N 292.741 3.726 30 20 CHED N#CC1(C(=O)NCc2ccc(F)c(Cl)c2)CCCCC1 53158006 BRRFLNGNGGCLDS-UHFFFAOYSA-N 294.757 3.569 30 20 CHED Cc1ccc(C#N)c(NCc2cccc(Cl)c2)n1 53158108 PXWKUTNLJFUEBJ-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@H]1C=CCC1 56212724 ZHYNAOKTLRJTIV-ZDUSSCGKSA-N 284.359 3.640 30 20 CHED CCc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 58243027 WCPKCJUNVWMWQE-UHFFFAOYSA-N 264.328 3.567 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1cccc2ccccc12 63094793 NHARYOSEUOHCGW-GFCCVEGCSA-N 267.332 3.606 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 66407978 QULVRHQXTOVFTM-UKTHLTGXSA-N 295.294 3.562 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N2CCC(C#N)CC2)CC(C)(C)C1 66642769 UVRRRYDPZRVAHU-HIFRSBDPSA-N 276.424 3.601 30 20 CHED C=CCCC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 68010655 RCFFAKCJYPFEGL-UHFFFAOYSA-N 293.779 3.763 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)CC1CCCC1 70745970 BEDDEWJYBFCZQN-UHFFFAOYSA-N 293.750 3.706 30 20 CHED N#Cc1cccc(OCc2cc(Cl)ccc2[N+](=O)[O-])c1 72672216 JQKQMGWGHKCZOQ-UHFFFAOYSA-N 288.690 3.699 30 20 CHED N#CCSCCCN1CCC[C@@H]1c1cccs1 74980668 CICJVGUQLVGJBK-GFCCVEGCSA-N 266.435 3.532 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)[C@H](c2ccccc2)CO1 76147947 ZAFRRPRXRQWHLF-KXBFYZLASA-N 292.382 3.520 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H](CC)C2)cc1 78712726 IDBQFYTYRKITIB-AWEZNQCLSA-N 273.376 3.514 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)c1cccc(SCC#N)c1 79548329 LIUHSCALJILQIC-AWEZNQCLSA-N 288.416 3.611 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc(F)c(F)cc1F 93101279 LRNZCHGBLFDWNQ-UHFFFAOYSA-N 284.325 3.866 30 20 CHED Cc1cccc([C@@H]2CCCN2CC(C)(C)CCC#N)n1 93453687 YZCDATQVYILOHZ-INIZCTEOSA-N 271.408 3.857 30 20 CHED C[C@H](Cc1cccs1)Nc1ccc(C#N)c([N+](=O)[O-])c1 94591944 HXUQUMMZYUFHOU-SNVBAGLBSA-N 287.344 3.571 30 20 CHED Cc1cscc1CNC1CC(C#N)(c2ccccc2)C1 94877370 QIYCWANWOXLDCJ-UHFFFAOYSA-N 282.412 3.770 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H]2CCCC[C@@H]21 96609691 BPVIDUFQJYXBBF-JQWIXIFHSA-N 295.308 3.741 30 20 CHED COc1ccc(C(=O)/C=C\c2csnn2)c2ccccc12 97152240 NSHAQACDYXCANX-VURMDHGXSA-N 296.351 3.596 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](c1ccccc1)C1CCC1 104423922 RCPQDOAHPQSLJI-WMLDXEAASA-N 287.403 3.625 30 20 CHED Cc1ccc(-c2ccc(C(=O)N[C@H](C)CC#N)c(F)c2)cc1 106758021 LMVSIOFWNACGDD-CYBMUJFWSA-N 296.345 3.833 30 20 CHED C[C@H](CC(=O)N[C@@H](C#N)c1ccccc1F)C(C)(C)C 108803203 LOWKCVZNAMAKNM-RISCZKNCSA-N 276.355 3.579 30 20 CHED C=CCOc1cccc(NC(=O)CC[C@H]2CCCCO2)c1 110246327 VDQHSAUTUJYYQP-OAHLLOKOSA-N 289.375 3.539 30 20 CHED C=CCN(C)Cc1csc(C2CCCCC2)n1 121225491 ZSTMDGZVRQIJKM-UHFFFAOYSA-N 250.411 3.809 30 20 CHED C[C@@H](NC[C@]1(C)CCCS1)c1ccc(OCC#N)cc1 122068616 FJHKHFCCYGWQBV-CJNGLKHVSA-N 290.432 3.525 30 20 CHED CCN(CCC#N)C(=O)[C@H](C)c1ccc(CC(C)C)cc1 126185030 PVFMVFUCOQMKNE-OAHLLOKOSA-N 286.419 3.751 30 20 CHED N#Cc1cc(F)c(NC[C@@H]2CCCCS2)c(F)c1 133646120 OZSGQWBMATUYHM-JTQLQIEISA-N 268.332 3.534 30 20 CHED C=CCC[C@H](NC(=O)Cc1c(C)noc1C)c1ccccc1 133988253 BRDCRARSLYDJQQ-KRWDZBQOSA-N 298.386 3.658 30 20 CHED CC(C)(C)CCC(=O)N[C@H](CCC#N)c1ccccc1 153570798 YJRAUXDNOOIMGT-OAHLLOKOSA-N 272.392 3.974 30 20 CHED CCn1c(-c2ccc(O)c(Cl)c2)nc2cc(C#N)ccc21 155109800 ZQKREZAHZUNTRW-UHFFFAOYSA-N 297.745 3.954 30 20 CHED CCC[C@H](CC)NC(=O)c1ccc(C#N)c(Cl)c1 155548822 AKJPMDXYNUHUFX-LBPRGKRZSA-N 264.756 3.520 30 20 CHED C=CCCNc1cccc(C(=O)N(C)c2ccccc2)c1 157160138 RSUIWIXAYQNMSH-UHFFFAOYSA-N 280.371 3.951 30 20 CHED C=C(Br)CN[C@H](c1ccccc1)C(C)C 158683786 JFDQKAPLGRTBRM-ZDUSSCGKSA-N 268.198 3.882 30 20 CHED C=C(C)CN(CC)Cc1cnc(C(C)(C)C)s1 159006331 DCFWIXALJSBPAL-UHFFFAOYSA-N 252.427 3.839 30 20 CHED C=CCN(Cc1nnc(C(C)C)o1)Cc1ccccc1F 171145504 UHPAGCLKFHTBRV-UHFFFAOYSA-N 289.354 3.520 30 20 CHED Cc1ccccc1C(=O)/C=C/c1nccn1CC(F)(F)F 171538639 QAUXZRHUHFYCLF-VOTSOKGWSA-N 294.276 3.650 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1cccc(F)c1 172077738 XEMFCAMQLYPSBE-SWLSCSKDSA-N 276.355 3.637 30 20 CHED CCN(C(=O)CCC1CCCC1)c1ccc(C#N)cc1 174070947 CYDYJXFTUWQHAA-UHFFFAOYSA-N 270.376 3.882 30 20 CHED CCS[C@H]1CCCCN(CCCC(C)(C)C#N)C1 174858371 NZGSHYZQVUMVJT-AWEZNQCLSA-N 268.470 3.924 30 20 CHED C=CCCCC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C 175950296 HWFIOBKLJZIFTQ-RDJZCZTQSA-N 287.403 3.640 30 20 CHED CN(C(=O)c1cc(C#N)cs1)C1CCC(C)(C)CC1 176729851 VJVGOKCBSUNTBZ-UHFFFAOYSA-N 276.405 3.661 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1F)c1ccccc1OC 177860903 NCNCPXFKGSGNGS-KRWDZBQOSA-N 298.361 3.947 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cnn(C)c1)CCO2 178325026 XNDUKMOPBRMUGQ-OVCLIPMQSA-N 296.370 3.592 30 20 CHED CCN(CC)C(=S)SCC#Cc1ccc(F)cc1 178798322 GVNALQOXAGMJNH-UHFFFAOYSA-N 281.421 3.537 30 20 CHED N#CCC[C@H](NCc1cc(F)ccc1O)c1ccccc1 180862633 DQRCZYCRBDUDBJ-INIZCTEOSA-N 284.334 3.666 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC)c1ccccc1OCC 180907647 JSOCENDFZLPALX-HNNXBMFYSA-N 290.407 3.754 30 20 CHED Cc1nc(C)c(CCN[C@@H](C)c2ccc(C#N)cc2)s1 181727207 FVYQOIAUTYZIKF-NSHDSACASA-N 285.416 3.525 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(c2ccccc2)CC1 182647568 UUWBURFTDWFMEJ-CQSZACIVSA-N 257.377 3.579 30 20 CHED C[C@H](NCc1ccc(C(C)(C)O)cc1)c1cccc(C#N)c1 186601281 FLDUWYJFHGLCMD-AWEZNQCLSA-N 294.398 3.636 30 20 CHED C[C@H]1CCCCN(Cc2ccc(N(C)CCC#N)cc2)C1 187518358 UPNMLAPKCYHQIA-INIZCTEOSA-N 285.435 3.658 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C2CCC2)cc1 188505073 BNTKCDRBWHJONA-UHFFFAOYSA-N 257.377 3.992 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1 190028047 HFXRKEXVKXWERK-INIZCTEOSA-N 294.354 3.535 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](C)c1ccccc1 192164804 AVVXUDTVPDPDJW-UONOGXRCSA-N 282.362 3.979 30 20 CHED CSCc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 193327537 AGGXLCFMYBDCNV-BBRMVZONSA-N 274.433 3.722 30 20 CHED C=C(CN[C@H](C)CCc1ccco1)c1ccccc1 211896906 JONHJMHTNUVEJY-OAHLLOKOSA-N 255.361 3.904 30 20 CHED CCC(=O)c1ccc(OCc2cccc(C#N)c2F)cc1 219762136 UPKTXYNAKZBXTL-UHFFFAOYSA-N 283.302 3.869 30 20 CHED C=CCSCCNc1ccc([N+](=O)[O-])cc1Cl 223895569 LTNOBNBATCACGM-UHFFFAOYSA-N 272.757 3.579 30 20 CHED N#Cc1cc(CN2CCCc3ccccc32)ccc1F 229747345 XBPCHZWJGNFISF-UHFFFAOYSA-N 266.319 3.650 30 20 CHED COc1cc(CN[C@@H](C)c2ccc(C)cc2)ccc1C#N 234937927 QQOMQNJJMRKUBM-AWEZNQCLSA-N 280.371 3.726 30 20 CHED Cc1cccc(CCNCc2ccc(O[C@@H](C)C#N)cc2)c1 237698718 ABLVSXCLKYVMMH-INIZCTEOSA-N 294.398 3.618 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 245416706 FLAMCYHFTMJDKH-RDTXWAMCSA-N 262.356 3.751 30 20 CHED CC(C)[C@H](C)N(Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 245501322 CMGOWEYYZGXMIQ-CABCVRRESA-N 286.419 3.986 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 246757743 AHQQMKNSBQUIRQ-HALDLXJZSA-N 299.418 3.524 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N[C@](C)(C#N)C(C)C 255266480 XAYIHPRVHFWYOH-IYCSXQJISA-N 290.794 3.798 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1cc(Cl)ccc1F 255917188 BFPRQFMIJZIORB-DAXSKMNVSA-N 292.741 3.726 30 20 CHED C=C1CCN(C(=O)c2cc3cc(C)c(C)cc3o2)CC1 266399198 YAWMZPHDWALEMS-UHFFFAOYSA-N 269.344 3.842 30 20 CHED CCc1ccc(-c2ccc(C(=O)N(CC)CCC#N)o2)cc1 266614462 HWSOWKUSQYPIOV-UHFFFAOYSA-N 296.370 3.885 30 20 CHED N#Cc1c(Cl)nsc1N[C@H]1CCOC2(CCCC2)C1 268956493 KCALHHDPCNXTAS-VIFPVBQESA-N 297.811 3.572 30 20 CHED N#Cc1ccncc1NCc1ccccc1N1CCCCC1 272186063 JWJHEOJPXYCTBG-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C=C[C@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1 274296060 DRFHHKCISWPFHD-RDTXWAMCSA-N 284.403 3.791 30 20 CHED C=CCCCCNC(=O)Nc1cccc(-c2ncco2)c1 274783366 GJTHBIXMVYIQHD-UHFFFAOYSA-N 285.347 3.819 30 20 CHED C=CCC[C@@H](NC1CCN(CC(=C)C)CC1)c1ccco1 276458181 NKDMTMXJTZKQTP-QGZVFWFLSA-N 288.435 3.917 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2ccccc2F)C1 276909496 KKHYCMAWUODIKJ-CXAGYDPISA-N 275.367 3.744 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CCC(F)(F)C1)c1ccccc1 280428954 BBGAKAZFDAGGEF-HIFRSBDPSA-N 293.357 3.898 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2cc(C#N)oc2C)c1C 280755305 YGFARLIKRSKHTI-LBPRGKRZSA-N 282.343 3.568 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cnc(Cl)cc1C 282025850 SQRICUUUUZTAGY-SNVBAGLBSA-N 267.760 3.520 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)Cc1cccc(Cl)c1 282852786 SYSRSXSPPVHFPR-FZMZJTMJSA-N 250.773 3.553 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(F)cc1Cl 285409844 FSOAEJYDUUQWMA-OTYXRUKQSA-N 282.746 3.596 30 20 CHED Cc1ccc(NC(=O)C(C)C)cc1NCCC(C)(C)C#N 288793937 YCRGKIVGRSXHFN-UHFFFAOYSA-N 287.407 3.941 30 20 CHED N#CCCCC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 291625830 FWNINQRAFGKGFP-DLBZAZTESA-N 284.403 3.598 30 20 CHED Cc1nc(C(C)C)oc1C(=O)O[C@H](C)c1ccc(C#N)cc1 292194995 KGAGOMMDCJMEIK-GFCCVEGCSA-N 298.342 3.896 30 20 CHED C=CCC(C)(C)CNCc1ncc(CSC)s1 292925162 IOHCDGFYWVWNGA-UHFFFAOYSA-N 270.467 3.698 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 294380855 NNKFSQGDXFHWIW-IRXDYDNUSA-N 284.403 3.733 30 20 CHED Cc1sccc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 294453787 BQBAPDDIQHPTRN-QGZVFWFLSA-N 298.411 3.701 30 20 CHED C#CC[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1 297031671 UUYNECAZRLWJOG-SJORKVTESA-N 277.367 3.734 30 20 CHED C#CCN(C(=O)Nc1c(F)cccc1SCC)C1CC1 297387135 LKVHEBNCFJGFCD-UHFFFAOYSA-N 292.379 3.567 30 20 CHED CC(C)[C@H](O)C(C)(C)CNc1c(C#N)cnc2ccccc12 301828705 QLFDCFMABDRPKH-KRWDZBQOSA-N 297.402 3.561 30 20 CHED N#Cc1c(Cl)nsc1N1CCc2c(F)cccc21 302143575 IEEFEUABZCLARK-UHFFFAOYSA-N 279.727 3.501 30 20 CHED CC(C)C[C@H]1OCCC[C@H]1Nc1ncc(C#N)cc1Cl 302348954 ASSDFXAEWZQYPD-ZIAGYGMSSA-N 293.798 3.612 30 20 CHED C[C@@H]1CCCCN(c2ccc3cc(C#N)ccc3n2)C1 302449910 SQTRYOYNCQNQEB-CYBMUJFWSA-N 265.360 3.733 30 20 CHED C=CCOC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 303281941 KJKISRZNWFEKOR-UHFFFAOYSA-N 276.376 3.728 30 20 CHED CCCC[C@@H](CC)C/N=C(/N)Nc1ccc(OC)cc1 303702875 JDRZLCTVVOFYDX-CYBMUJFWSA-N 277.412 3.638 30 20 CHED Cc1nc(C#N)cc(Oc2cc(C)c(Cl)c(C)c2)n1 308278816 MANDFVKHEXSKBU-UHFFFAOYSA-N 273.723 3.719 30 20 CHED COc1ccc(C#N)cc1CN[C@@]1(C)CCCC[C@H]1C 308717183 XIPTZYFFPZZESE-DYVFJYSZSA-N 272.392 3.625 30 20 CHED CSCCCCCCNc1ccc(C#N)c(C)n1 311136275 KKXFNAFXMRDHLQ-UHFFFAOYSA-N 263.410 3.597 30 20 CHED N#Cc1cc(N2CC3CCC2CC3)ccc1C(F)(F)F 313065874 JEOQRKLBXKMNIN-UHFFFAOYSA-N 280.293 3.956 30 20 CHED CC(C)(C)c1cnc(N/C(O)=N/[C@H]2CSC2(C)C)s1 328729649 FOGPYSUCJCIHRO-QMMMGPOBSA-N 299.465 3.661 30 20 CHED C[C@H](/N=C(/O)Nc1cccc2ccsc12)[C@H]1CCOC1 328787071 KZMGNMQDBUSVLQ-JQWIXIFHSA-N 290.388 3.652 30 20 CHED CC[C@@H]1C[C@@H](C(O)=Nc2c(C)noc2C2CC2)CC(O)=N1 329773024 LEWJLUCOIGUQNW-GHMZBOCLSA-N 291.351 3.594 30 20 CHED Cc1nnccc1N=C(O)N1CCCC[C@@H]1c1ccccc1 330098292 BQFVOICSKLJFGJ-MRXNPFEDSA-N 296.374 3.558 30 20 CHED O/C(=N/C[C@@H]1CCCCO1)Nc1ccc(C2CCC2)cc1 330227177 UVCCXXZJVHXRHZ-INIZCTEOSA-N 288.391 3.849 30 20 CHED CC[C@H](c1ccc(C#N)cc1)N1CCC[C@@]2(CCOC2)C1 334531015 NGVCAVAAVIXYBP-QZTJIDSGSA-N 284.403 3.512 30 20 CHED N#CCCC1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1 335471904 UDFQBSSPYLKSDQ-UHFFFAOYSA-N 293.317 3.512 30 20 CHED N#Cc1csc(CN2CC[C@H]2c2ccccc2)c1 336467131 FACIIGGOGLEMMZ-HNNXBMFYSA-N 254.358 3.567 30 20 CHED COc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc(C#N)cc2)c1 336853414 HBDXXLZYVQFVEV-LLVKDONJSA-N 297.314 3.648 30 20 CHED COc1cc(C#N)ccc1CSc1ccncc1C 338626681 SYRMZFUVFPLGPR-UHFFFAOYSA-N 270.357 3.563 30 20 CHED COc1ccc([C@@H](C)Nc2ncc(C#N)cc2Cl)cc1 339132754 KLXXRIIDDPTKIX-SNVBAGLBSA-N 287.750 3.788 30 20 CHED C=C1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 339982975 BQGSTOKAUVOMCE-UHFFFAOYSA-N 288.149 3.925 30 20 CHED C=CCN(C(=O)c1c(C)coc1C)c1ccccc1 340772902 FBPAZMLDHWQUFG-UHFFFAOYSA-N 255.317 3.729 30 20 CHED Cc1cccc(CSCCCOc2cccc(C#N)c2)n1 346578853 NESBTDHUIKPJGU-UHFFFAOYSA-N 298.411 3.964 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cccc(-c3cccnc3)c2)C1 349846955 DYRKMLAHMGWLNB-KDOFPFPSSA-N 277.371 3.530 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)NCC(C)(C)CCC#N 351066206 SFHGACABAQKYQE-UONOGXRCSA-N 279.428 3.584 30 20 CHED C=CCN(C)C(=O)Nc1ccc2nc(C(F)F)sc2c1 352638027 QOSUHRYFGAXDDF-UHFFFAOYSA-N 297.330 3.884 30 20 CHED C=CCOc1ccc(CN2[C@H](C)CC[C@H]2C)cc1OC 354990254 QTGIGVYRRHGTCS-ZIAGYGMSSA-N 275.392 3.633 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCc3cc(F)ccc32)CC1 355039025 OGLGPMSPHFOKQI-OAHLLOKOSA-N 273.351 3.676 30 20 CHED C=CCCC1(C(=O)N(C)c2ccc(OC)c(F)c2)CC1 356372392 SRYQXISISUKYLP-UHFFFAOYSA-N 277.339 3.544 30 20 CHED COc1ccc(CN2CC[C@@H](C)C3(CCC3)C2)cc1C#N 357006268 BALOMDCJZMVOPG-CQSZACIVSA-N 284.403 3.579 30 20 CHED CC(C)Sc1ccc(CN(CCC#N)CCC#N)cc1 358069344 YAYNRGWQXKGCNH-UHFFFAOYSA-N 287.432 3.816 30 20 CHED Cc1cc([C@@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)o1 360112452 XSGMRQDDVZJAQW-QWHCGFSZSA-N 296.370 3.749 30 20 CHED N#CCCCC(=O)Nc1ccc2nc(C(F)F)sc2c1 360611078 LXLRRHVUZJEHEV-UHFFFAOYSA-N 295.314 3.866 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C#N)nc2)c2ccc(F)cc2O1 360774145 XADDCKFDPKKWGK-OAHLLOKOSA-N 297.333 3.807 30 20 CHED CC[C@H](C)CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 364384945 VUCHDMTXJBIJRI-XIRDDKMYSA-N 284.403 3.721 30 20 CHED CC[C@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1Cl 399742111 JHTAMDPOSGSWBH-RISCZKNCSA-N 262.784 3.832 30 20 CHED CC[C@@H]1COC(C)(C)CN1CCCCC(C)(C)C#N 403936628 VBBJWGORKXKUDQ-CQSZACIVSA-N 266.429 3.596 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 410643922 QCEFIQVBJOEVHB-GFCCVEGCSA-N 296.292 3.598 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(C)c2ccccc12 412251405 PJLIRGYGVZBUAH-ZDUSSCGKSA-N 266.344 3.570 30 20 CHED N#CCCSCCc1cccc(OC(F)(F)F)c1 413013506 OHOGNRBBSDQERO-UHFFFAOYSA-N 275.295 3.775 30 20 CHED C[C@@]1(c2ccccc2)CC[C@H](NCC2(C#N)CCC2)C1 418144729 VBZKKDACLLCFLG-DLBZAZTESA-N 268.404 3.780 30 20 CHED C=CCCCSCc1ccn(CC(F)(F)F)n1 419405947 IFEKPIAOGGKISL-UHFFFAOYSA-N 264.316 3.645 30 20 CHED COc1cccc(OCCSCC2(C#N)CCC2)c1 419453710 YQKLKVPCSANKMZ-UHFFFAOYSA-N 277.389 3.501 30 20 CHED C=CCCC(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 421619909 LKAFRHRWFODMNO-QGZVFWFLSA-N 275.367 3.716 30 20 CHED CC[C@@H](C)CNC(=O)c1cn(CCCC#N)c2ccccc12 421905882 ALUGZQTWADIPCS-CQSZACIVSA-N 297.402 3.721 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cc(OC)ccc2OC)no1 424339676 QPRZYGZXOGAZKY-UHFFFAOYSA-N 288.347 3.608 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cccc(C(F)(F)F)c1 424533819 MDTKTPQHQMWCLX-UHFFFAOYSA-N 285.309 3.924 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)n(C2CC2)c1C 428051957 XEAXJVFBDZLLFV-CQSZACIVSA-N 272.392 3.621 30 20 CHED C=CCN(CCC#N)[C@@H](C)c1cccc(Br)c1 428845894 OEVTUZVYZBGUOD-LBPRGKRZSA-N 293.208 3.912 30 20 CHED C=CCN(CCC#N)Cc1cccc(-c2cccnc2)c1 430103968 IHRTVMJBYBAVOJ-UHFFFAOYSA-N 277.371 3.650 30 20 CHED CCC1(CC)CCN(C(=O)Nc2cccc(C#N)c2C)C1 431696639 MIVHIYBHHNOYEM-UHFFFAOYSA-N 285.391 3.911 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 433984203 PJWCEADYPUEEEF-LSDHHAIUSA-N 298.292 3.579 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cnc(C(C)(C)C)s1 435741865 QZZOWZORFFUQDG-JSGCOSHPSA-N 294.464 3.511 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2cccc(F)c2C1 435891365 DLKAOGNZJUWYPW-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED C=CCC[C@H](NCc1cc(F)ccc1F)C1CC1 439004835 RVNOHWKGGQAUGW-HNNXBMFYSA-N 251.320 3.799 30 20 CHED Cc1cc(CN[C@@H](C)CCc2ccco2)ccc1C#N 443970901 JNZYRBDJIQUJCZ-AWEZNQCLSA-N 268.360 3.571 30 20 CHED CCCCCc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1 448578622 AUKHVAQSWBJMTM-SUMWQHHRSA-N 270.376 3.908 30 20 CHED CSCC1CCC(N[C@@H]2CCC[C@H](C#N)C2)CC1 449421349 ILTJEKHPOCINQP-OOJKYFRXSA-N 266.454 3.580 30 20 CHED COc1ccc(CNc2cccc(OC(C)C)c2)cc1C#N 449469354 TWJZFHGDBMPWCE-UHFFFAOYSA-N 296.370 3.966 30 20 CHED CC(C)CCOc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1 450007945 DTMHZGBHBJXPLT-CXAGYDPISA-N 286.375 3.600 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC(CF)CC1 450683649 HKCHJBYGIDOPTO-UHFFFAOYSA-N 286.272 3.763 30 20 CHED C=CCC1(C(=O)Nc2cncc(F)c2)CCCCC1 451627959 HZUCYYLLPYXMPS-UHFFFAOYSA-N 262.328 3.686 30 20 CHED C=CCC1(C(=O)N2Cc3ccccc3O[C@H](C)C2)CCCC1 452117033 DMOPPGHHINMNKC-OAHLLOKOSA-N 299.414 3.933 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 452138055 BNJIRTVJCXIHRB-IAGOWNOFSA-N 298.430 3.969 30 20 CHED Cc1cccc([C@H](c2noc([C@@]3(C#N)C[C@@H]3C)n2)C(C)C)c1 453177719 GOIYYTBASFZGBX-JCKWVBRZSA-N 295.386 3.967 30 20 CHED C=CC(C)(C)CN[C@H](c1ncc[nH]1)C1CCCCC1 453306015 IQTLCVXPORWXSQ-AWEZNQCLSA-N 261.413 3.833 30 20 CHED C=C(C)CCNC(=O)Nc1cc(F)c(SC)c(F)c1 455127733 QWYNBAIEAMYFNN-UHFFFAOYSA-N 286.347 3.774 30 20 CHED CC(C)c1c[nH]nc1NC(=O)C[C@@H](CC#N)c1ccccc1 456724525 DRTVBOKVQVKOID-CQSZACIVSA-N 296.374 3.559 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C)cc(C#N)c1 456959016 FUYILFANIUODJZ-MRXNPFEDSA-N 286.375 3.543 30 20 CHED Cc1cc(Cl)ccc1CNCC(C)(C)CC#N 459727544 HCTZGZAJIIMTTE-UHFFFAOYSA-N 250.773 3.678 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 459727573 HENGBTCRTMYHLJ-WDEREUQCSA-N 262.319 3.637 30 20 CHED C[C@H](C(=O)NCC[C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 462086111 WDEYBIVRTGXRIK-PMPSAXMXSA-N 298.430 3.994 30 20 CHED C[C@@H](C(=O)N1CCC[C@H]2CCCC[C@H]21)c1cccc(C#N)c1 462263684 YWGPJIHDLIAZCQ-QGPMSJSTSA-N 296.414 3.843 30 20 CHED C=C[C@H](C)NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1 465115942 CACMOYXFMUJWRA-AWEZNQCLSA-N 287.403 3.506 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 466401282 HXINPPNCCFEOOL-IEBWSBKVSA-N 298.430 3.979 30 20 CHED COc1ccc([C@H](C)CNCCc2cccc(C#N)c2)cc1 466426632 VUVFZYXTLWOXJE-OAHLLOKOSA-N 294.398 3.503 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1C(F)(F)F 467739275 FJJSBGOKDNIGPJ-AWEZNQCLSA-N 285.309 3.924 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccc(Cl)cc1)C(C)C 472772695 PCTAYBODSIOCPA-HOTGVXAUSA-N 281.827 3.954 30 20 CHED CC[C@@H](c1ccc(Br)cc1)N(C)C[C@H](C)C#N 472779571 TXIFBXMRFDKRHW-RISCZKNCSA-N 295.224 3.992 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2c(F)ccc(F)c21 475903416 GHMLVSJDPMVGBD-MRXNPFEDSA-N 279.330 3.846 30 20 CHED C=CCCC1(C(=O)NCCOC2CCCCCC2)CC1 476078834 IBCKENFMAWKSKJ-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CCC(F)(F)C1 480095921 URDZVEKKJCDNFO-LBPRGKRZSA-N 259.340 3.627 30 20 CHED C[C@@H](C#N)CN(C)C(=O)CCc1cc(Cl)cc(Cl)c1 480640949 WLJUTONIUZDTMK-JTQLQIEISA-N 299.201 3.544 30 20 CHED CC1(C#N)CN(C(=O)c2ccc(C3CCCCC3)cc2)C1 482590846 DVGDZSSYFNMZHF-UHFFFAOYSA-N 282.387 3.720 30 20 CHED N#Cc1cc2c(nc1NC[C@H]1CCC(F)(F)C1)CCCC2 485412587 STUOLHQMOBOBSR-NSHDSACASA-N 291.345 3.679 30 20 CHED C=CCCCCCSCC(=O)NCc1ccccc1 485600443 PFHGKJBOPHEJQP-UHFFFAOYSA-N 277.433 3.782 30 20 CHED CCCCN(C)c1c(C#N)cnc2ccc(C)cc12 487927634 GEWDGGJWDLPDAF-UHFFFAOYSA-N 253.349 3.651 30 20 CHED Cc1cc(CN2CCC[C@@H]3CCC[C@H]32)ccc1C#N 488442266 TWJJKYQUTIJFAU-DOTOQJQBSA-N 254.377 3.631 30 20 CHED C=C[C@H]1CCCCN1CCC(=O)Nc1cccc(F)c1C 489503942 ZSBWYXVIEXKXIV-AWEZNQCLSA-N 290.382 3.503 30 20 CHED C=CCC(C)(C)CNC(=O)c1csc(Cl)c1 489798468 FLDMWCJEWNZYEH-UHFFFAOYSA-N 257.786 3.734 30 20 CHED Cc1cccc(OCCCN[C@H]2CCC[C@H](C#N)C2)c1C 494495207 MOJJLEVSBYMJJR-IRXDYDNUSA-N 286.419 3.744 30 20 CHED CC(C)(CCC#N)CNC(=O)NCC(C)(C)C1CCCC1 500606522 JVMSWYPYHMNNJB-UHFFFAOYSA-N 293.455 3.832 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CC2(CCCCC2)C1 503253872 KJXYGMMOJSJQBQ-KRWDZBQOSA-N 296.414 3.552 30 20 CHED CC[C@@H](CC(=O)NCC#Cc1ccccc1)c1ccccc1 504955756 OXIMAWSLWWABSP-SFHVURJKSA-N 291.394 3.738 30 20 CHED C[C@H]1CCCC[C@H]1OCCNc1ccc(C#N)cc1F 506849181 CZMYAFUFNMPBKC-BLLLJJGKSA-N 276.355 3.705 30 20 CHED C=C(C)CCc1noc([C@@H](C)Oc2ccc(F)cc2)n1 508645982 PVERLSVCHNOQLA-LLVKDONJSA-N 276.311 3.857 30 20 CHED CC(C)CN(CC(C)C)C(=O)c1cc(C#N)ccc1Cl 512322431 KTABHVQZKSXLGH-UHFFFAOYSA-N 292.810 3.966 30 20 CHED C=CCOCCS[C@H]1CCCN(Cc2ccccc2)C1 516866790 PTLGUSOZPTXLOJ-KRWDZBQOSA-N 291.460 3.587 30 20 CHED C=CC1CCN(C(=O)NC[C@H]2CCCc3ccccc32)CC1 521175612 IXUUIMDEOZXBFE-QGZVFWFLSA-N 298.430 3.714 30 20 CHED C=CCOc1ccc(CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)cc1 529346881 ATCCWMXARVYEPJ-TXPKVOOTSA-N 299.414 3.694 30 20 CHED COCc1ccc(NC(=O)[C@H]2CCC(C)=C(C)C2)cc1C#N 529814305 LVGIWQYVNSUKDH-AWEZNQCLSA-N 298.386 3.780 30 20 CHED C=CCN1CCC(N[C@@H](CC2CC2)c2ccccc2)CC1 532231539 TULQQLOBMVTOPV-IBGZPJMESA-N 284.447 3.768 30 20 CHED C=CCCCN(C)Cc1c(Cl)cccc1OC 536680485 TUHRENOLSOFWSP-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C=C(CC)CSCc1ccc(C(=O)OC)s1 537992680 AEASUNKZFPKILG-UHFFFAOYSA-N 256.392 3.734 30 20 CHED C=C(CC)CN1CCC[C@@H]1c1ccc(OC)cc1OC 537993700 ZXUVZRBHUUZTSA-MRXNPFEDSA-N 275.392 3.807 30 20 CHED CC(C)(C)[C@@H](COc1ccccc1F)NCC1(C#N)CC1 539493348 KYYLXVRXDXGOAZ-OAHLLOKOSA-N 290.382 3.513 30 20 CHED COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCC#N)c1 540459913 UXOPLFJOFMWBOU-LJQANCHMSA-N 294.398 3.709 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 540706608 CLSKRFNAWLGFFY-XUJVJEKNSA-N 260.356 3.927 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@H](C)CC(C)(C)C1 541511181 HLSJMSFSEFJLSL-CQSZACIVSA-N 287.403 3.760 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@@H]2CCCC[C@H]12 543185999 QTCTVPSZUCDVFM-ZTFGCOKTSA-N 268.404 3.763 30 20 CHED C=CC1CCN(C(=O)NCc2ccc(Cl)c(C)c2)CC1 543440513 BGQINISMSDTGIP-UHFFFAOYSA-N 292.810 3.756 30 20 CHED CC#CCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 543608548 PRNXWMFHMLXEPF-UHFFFAOYSA-N 282.387 3.609 30 20 CHED N#Cc1ccc(C(=O)NCCC2=CCCCCC2)s1 545215681 CBVSIWVRNCJIKK-UHFFFAOYSA-N 274.389 3.630 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N[C@H](CC)CC#N 547294335 MBZRTRRWAUUQKT-HUUCEWRRSA-N 264.413 3.791 30 20 CHED N#Cc1ccc(CNC[C@@H](c2ccccc2)C2CC2)s1 552273172 VUHDOCOJRFQFPI-KRWDZBQOSA-N 282.412 3.903 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccccc1 552354805 QGDCEIFGBIGYEL-CYBMUJFWSA-N 293.370 3.732 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCOCc1ccccc1 554642775 JKUBUGYFXCOWFA-MAUKXSAKSA-N 289.419 3.700 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](CCC)C1 555220908 HUXUFFJLBBKVMO-AWEZNQCLSA-N 288.439 3.748 30 20 CHED C=CCOc1ccc(CNC(=O)C2(CC=C)CCC2)cc1 557368539 JRRNULDVAFFYSH-UHFFFAOYSA-N 285.387 3.614 30 20 CHED CC(C)O[C@@H]1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1(C)C 558508152 BZCSAHMUTNLVIA-RCCFBDPRSA-N 298.430 3.727 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCSC2)cc1 562061174 GDMXDDUOCDSWCR-GFCCVEGCSA-N 288.416 3.569 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@H]1CCCC[C@H]1C 569483682 AWIXIMCKVDGPJE-TZMCWYRMSA-N 285.391 3.755 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)C[C@@H](C)C1CCCCC1 571799846 OAJWMOKEULCFEC-CJNGLKHVSA-N 296.480 3.744 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2cscc2-c2ccccc2)C1 573836019 JAJZLRVVBYAMIM-GXTWGEPZSA-N 296.395 3.837 30 20 CHED CC(C)C(C)(C)NC(=O)Nc1ccc(CC#N)cc1Cl 574133037 XKXHYVFEOLFWQP-UHFFFAOYSA-N 293.798 3.962 30 20 CHED C=CCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 574745448 FHWFEYJETHZIQV-SOUVJXGZSA-N 288.439 3.602 30 20 CHED N#CC1(CCSCCOC[C@@H]2CCCO2)CCCCC1 574976226 IJHZYYOAFJPWMZ-HNNXBMFYSA-N 297.464 3.779 30 20 CHED Clc1cccc(C#CCN2CC[C@@H](c3ccncc3)C2)c1 575811832 DRFLXEBDHTUGGY-QGZVFWFLSA-N 296.801 3.576 30 20 CHED C=CCCS[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 576902204 CSZMMBSJFHFJAK-JISDDCRVSA-N 293.476 3.769 30 20 CHED Cc1cccc(CN[C@@H](C)c2ccc(C#N)cc2Cl)n1 577453094 ZRCRRMWVGKWEHJ-LBPRGKRZSA-N 285.778 3.766 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1C[C@H](C)C[C@@H]1CC 579338902 GJZBHXKRUKMYGH-MCIONIFRSA-N 276.428 3.602 30 20 CHED C[C@@H]1CCC[C@H]1CN[C@H]1CCc2ccc(C#N)cc21 582032340 DLJCMYLYUADWTN-PVUWLOKVSA-N 254.377 3.571 30 20 CHED CC#CCCCc1nc(CCCc2ccsc2)no1 582148002 RGXZCIBWXZQICP-UHFFFAOYSA-N 274.389 3.652 30 20 CHED CCc1ccc([C@@H]2CCN(Cc3ccc(C#N)cn3)C2)cc1 582249827 ZYDKXPNJONAOIQ-GOSISDBHSA-N 291.398 3.505 30 20 CHED C=CCC[C@H](NC[C@H](CC(C)C)N(C)C)c1ccco1 583570168 GAHFEFUSKMULJJ-HOTGVXAUSA-N 278.440 3.853 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(C(F)F)CCCC1 583895714 WHKVODHCPLTNLW-LLVKDONJSA-N 259.340 3.673 30 20 CHED Cc1ccc([C@@H](C)NC(=O)CCCCCC#N)cc1 588151901 QBPSYCQBPLJNST-CQSZACIVSA-N 258.365 3.646 30 20 CHED CN(C)c1c(Cl)cccc1NC(=O)CCCCCC#N 588875083 VLEPQJDGYAIRMM-UHFFFAOYSA-N 293.798 3.819 30 20 CHED CN(C(=O)CCCCCC#N)c1cccc2cccnc12 588985794 HFSWXPQFSIKAPF-UHFFFAOYSA-N 281.359 3.672 30 20 CHED CCO[C@@H]1CCC[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 590737372 KWAPNQMUMPRAQS-ZIAGYGMSSA-N 287.407 3.620 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](C#N)CC 593438250 YHIJOHSSOGHCEE-PVAVHDDUSA-N 284.403 3.721 30 20 CHED CC[C@H](C#N)C(=O)N(C)Cc1ccccc1-c1ccccc1 593444787 AWOMDOMKFUCJSH-OAHLLOKOSA-N 292.382 3.862 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 593968093 LVLUWERZTXWEHW-HDMKZQKVSA-N 298.430 3.679 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCSc1cccc(Cl)c1 594093177 ZYGWAKKAQFOALK-LBPRGKRZSA-N 296.823 3.583 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)NCc1cc(C#N)cs1 594949639 FVILYPVJSHFICV-HNNXBMFYSA-N 288.391 3.870 30 20 CHED C=CCCSCCN[C@H]1CCCc2occc21 595058247 FPNXTVZEBZNSJL-ZDUSSCGKSA-N 251.395 3.556 30 20 CHED COc1ccccc1C(C)(C)NCCc1ccc(C#N)cc1 595363936 JJXKLVOTWRVQBV-UHFFFAOYSA-N 294.398 3.634 30 20 CHED C[C@H](CCc1ccccc1)N1CCC[C@@H](CC#N)C1 595615907 UMDDEHDKCXDGOP-WBVHZDCISA-N 256.393 3.633 30 20 CHED Cc1c([C@H](C)Nc2c(C#N)cnn2C)oc2ccccc12 596081053 BUFVZRAXZHCDCB-NSHDSACASA-N 280.331 3.520 30 20 CHED Cc1ccc(C#N)nc1N1CC(c2cccc(Cl)c2)C1 596258335 YIPCBMJLLHSDFW-UHFFFAOYSA-N 283.762 3.519 30 20 CHED CC(C)CCN(C(=O)CC1(C#N)CCCCC1)C1CC1 596737324 XHJRQUORAFACCM-UHFFFAOYSA-N 276.424 3.888 30 20 CHED N#Cc1cc(NC(=O)C2CCC3(CC2)CC3)ccc1F 597123734 ANGWMIJTIFMBBQ-UHFFFAOYSA-N 272.323 3.606 30 20 CHED C[C@H](CN1CCC[C@@H](CC#N)C1)c1ccc(F)cc1 597178056 UZFSFUVFIYSXBF-KGLIPLIRSA-N 260.356 3.555 30 20 CHED CC(C)C[C@H]1CCN(C(=O)CC2(C#N)CCCCC2)C1 597327706 ZDYZGJTXMVTAOV-OAHLLOKOSA-N 276.424 3.745 30 20 CHED C[C@H](C(=O)N(C1CC1)[C@H](C)C#N)c1ccc2ccccc2c1 598129986 AIGMRQCCNBCIGV-KGLIPLIRSA-N 292.382 3.846 30 20 CHED CCN(C(=O)c1oc2c(C)ccc(C)c2c1C)[C@H](C)C#N 598356527 QRTBVGVHYAOYCJ-GFCCVEGCSA-N 284.359 3.732 30 20 CHED CC[C@@H](C)c1ccc([C@@H](C)NC2CCN(CC#N)CC2)cc1 599026753 FLWSRFMBCGWJEH-HZPDHXFCSA-N 299.462 3.839 30 20 CHED CO[C@H](c1ccccc1Cl)[C@H](C)NC[C@@H](C)CCC#N 602600435 JOWAPFCNYANVOV-XEZPLFJOSA-N 294.826 3.945 30 20 CHED CCCN(C)c1ccccc1NC[C@H](C)CCC#N 602729352 IMRPDCAQBNVQCX-CQSZACIVSA-N 259.397 3.885 30 20 CHED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC1(CC#N)CC1 602778678 JYSAWXGPMTZZMC-DZGCQCFKSA-N 272.367 3.697 30 20 CHED N#CCC1CCN(C(=O)Nc2cscc2Cl)CC1 603169088 LNQAFMJFQAZPDY-UHFFFAOYSA-N 283.784 3.559 30 20 CHED C=CCCOCC(=O)N[C@H](CC)c1ccc(Cl)s1 603835151 PHFDMDXSZMORLQ-SNVBAGLBSA-N 287.812 3.562 30 20 CHED N#Cc1cnc(NCCc2ccccc2Cl)c(Cl)c1 608885465 TXZCRPPFNXGWNO-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(OCc2ccccc2)cc1 608975261 BLTPXVQJGFBKDF-INIZCTEOSA-N 294.398 3.857 30 20 CHED Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@H](C)C#N 609927944 SCPGHRMXNAEENW-UKRRQHHQSA-N 298.411 3.616 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H](C)c1cccc(C)c1 610042362 JKTZSRFMSFITMI-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED N#Cc1ccn(Cc2cc(Cl)ccc2OC(F)F)c1 611115024 PSBXKBFMGIYXTG-UHFFFAOYSA-N 282.677 3.663 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)[C@H](C)Cc1cccc(Cl)c1 611115232 ZTFIHEDZNPPWST-DOMZBBRYSA-N 292.810 3.573 30 20 CHED C[C@H](NC(=O)N1C[C@H](C)CC(C)(C)C1)c1cccc(C#N)c1 612134147 LLGNRMGTCZANPC-KGLIPLIRSA-N 299.418 3.697 30 20 CHED CC(C)c1cccc(NC(=O)c2cc(O)cc(C#N)c2)c1 614293727 XJPPXQYBUDLODE-UHFFFAOYSA-N 280.327 3.640 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cccc(OC)c1 615346888 ILTRRZJNZMQQJO-UHFFFAOYSA-N 297.398 3.892 30 20 CHED C=CCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 617615228 DFGFFEPHWVGVBD-NEPJUHHUSA-N 284.186 3.789 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 617615383 JZCVMRUQQVXHFP-DLBZAZTESA-N 265.356 3.636 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2scnc2C(C)C)C1 617777443 PENFABWTLAKJNZ-LBPRGKRZSA-N 278.421 3.695 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H](C)CC(C)C)C1 617783780 GVNBFGMWOZVDGZ-LSDHHAIUSA-N 251.414 3.873 30 20 CHED C[C@@H](CCC1CC1)N[C@H]1CCc2cc(C#N)ccc21 618802935 GHPJHGSQVLHCDN-SJCJKPOMSA-N 254.377 3.714 30 20 CHED C=CCCOCC(=O)Nc1ccccc1-c1cccs1 620236881 LBPLGSNFNTYMAR-UHFFFAOYSA-N 287.384 3.946 30 20 CHED C=C(C)CNC(=O)c1cc(C(F)(F)F)ccc1Cl 626518952 MAWMJCJWCHPHCW-UHFFFAOYSA-N 277.673 3.665 30 20 CHED C=CCCOc1ccccc1-c1ccc(OCCNC)cc1 629735839 HMDUJBLHHBVUNZ-UHFFFAOYSA-N 297.398 3.907 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCc2ccc(C)cc21 644628471 PYSMESBUWDUERB-HNNXBMFYSA-N 257.377 3.701 30 20 CHED C=CCCC(C)(C)NCc1nn(CC)c2ccccc12 657805133 LAVNPHKXOPDRKP-UHFFFAOYSA-N 271.408 3.891 30 20 CHED C=CCN(CCOc1ccccc1C(C)=O)C(C)(C)C 661755946 WEJUFDUIKSNKGA-UHFFFAOYSA-N 275.392 3.555 30 20 CHED C=CCC1(NCc2ncc(C(C)(C)C)o2)CCCC1 661849658 YKZFBPNYWVWHRR-UHFFFAOYSA-N 262.397 3.951 30 20 CHED C=CCC1(NC(=O)NCc2cccc(F)c2)CCCC1 663567421 DWPDQOTUZVHVQS-UHFFFAOYSA-N 276.355 3.514 30 20 CHED C=CCCCC[C@H](C)N[C@@H](CO)c1ccc(F)cc1F 668757118 ZBYRDHKHUWZXST-LRDDRELGSA-N 283.362 3.723 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](OC)c1ccccc1Cl 682382393 GVYWIORWMBUJKR-ZBFHGGJFSA-N 295.810 3.746 30 20 CHED C=CCC1(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)CCC1 683064374 KSMZUYFYACJTMU-NWDGAFQWSA-N 289.341 3.922 30 20 CHED N#Cc1ccc(NCc2cccc3c2OCC3)cc1Cl 693059822 CVSLYHZCZIDQAW-UHFFFAOYSA-N 284.746 3.759 30 20 CHED CN(c1ccnc(C#N)c1)C1CC(C)(C)CC(C)(C)C1 693075845 OYYFONNQZWVECI-UHFFFAOYSA-N 271.408 3.994 30 20 CHED C#C[C@H](N[C@H](C)CCc1ccc(OC)cc1)C(C)(C)C 702250879 NWNHGSJZDGZJNV-PBHICJAKSA-N 273.420 3.654 30 20 CHED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CCc2sccc21 726890470 FXTBHKCZRGZEOZ-UITAMQMPSA-N 291.353 3.930 30 20 CHED Clc1cccc(C=NNC2CCCC2)c1Cl 727652923 WCOHOZIWVFAXEQ-UHFFFAOYSA-N 257.164 3.860 30 20 CHED c1ccc2c(c1)CCC2=NNc1cccc2cnccc12 728431971 JAXRKJNHPJCDOV-UHFFFAOYSA-N 273.339 3.997 30 20 CHED COc1ccccc1/C=C1/Cc2c(C)cccc2C1=O 729150011 HRADCYXAEOJGRZ-UVTDQMKNSA-N 264.324 3.826 30 20 CHED Cc1ccc(NN=C(CC(F)(F)F)c2ccccc2)nn1 729935836 SARSMZYOFBHSQQ-UHFFFAOYSA-N 294.280 3.554 30 20 CHED C#CCOc1cccc(OCc2csc(CCC)n2)c1 730439597 RFUHZDSYMLWQFO-UHFFFAOYSA-N 287.384 3.687 30 20 CHED CCC1(C)CCN(Cc2ccc(OCC#N)cc2)CC1 731212882 VJHNSZYWOYYMIX-UHFFFAOYSA-N 272.392 3.601 30 20 CHED CC(=NNc1cc(C)ncn1)c1ccc(C(C)C)cc1 731935361 VQZVSTVVPDAFLT-UHFFFAOYSA-N 268.364 3.745 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2cccc([N+](=O)[O-])c2)o1 732761886 PEHPBGSFXKBRAB-QMTHXVAHSA-N 285.303 3.757 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H]1C[C@H]2CC[C@H]1O2 733758592 JSYMWTSEXKPMDX-OWCLPIDISA-N 281.440 3.763 30 20 CHED C=CC[C@@H](NC(=O)CCc1cccc(C)c1)c1ccncc1 734235615 KQYQQGVOHRZXCA-GOSISDBHSA-N 294.398 3.756 30 20 CHED C[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)C(C)(C)C 734337597 XTCAMLFFWRHYKC-ZDUSSCGKSA-N 297.402 3.577 30 20 CHED C=C(Cl)CNC(=O)C1(c2cccc(C)c2)CCCC1 736232547 AIPFIZUCWDGURC-UHFFFAOYSA-N 277.795 3.676 30 20 CHED C[C@@H](C(=O)OCc1cc(C#N)ccc1F)c1cccs1 738793622 DPJJEGAORWGDRZ-SNVBAGLBSA-N 289.331 3.606 30 20 CHED O=C(O)C1CCC(/N=C\c2c(O)ccc3ccccc23)CC1 739559889 INFTXASDPQFSMQ-ODLFYWEKSA-N 297.354 3.608 30 20 CHED C(=NNc1nc2ccccc2[nH]1)c1nccc2ccccc12 740760220 NJNRCHBHSPLHBG-UHFFFAOYSA-N 287.326 3.557 30 20 CHED Cc1cc(C)cc(-c2ccc(C=NN3CCOCC3)cc2)c1 741451684 MPJCMRNFVXTKGG-UHFFFAOYSA-N 294.398 3.637 30 20 CHED CC1(C)C(=NNc2c(F)cccc2F)[C@H]2CCCO[C@@H]21 743440805 ZREZGGALEVSYCC-OTYXRUKQSA-N 280.318 3.568 30 20 CHED CCCCC[C@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 743519455 DABDNOOQXFGGMG-KBPBESRZSA-N 287.407 3.887 30 20 CHED C=C(C)CCOC(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 744299954 MAIBHHQLVKSPEO-KFWWJZLASA-N 268.397 3.870 30 20 CHED CCC(=NN=C(C)c1cnccn1)C1CCCCC1 745203888 RLKRHLOIKUFXNA-UHFFFAOYSA-N 258.369 3.632 30 20 CHED C/C(=C\C(=O)O[C@H](C)C#N)c1cccc(C(F)(F)F)c1 745484469 QEKSIKSBHUSJLM-OLKPEBQYSA-N 283.249 3.564 30 20 CHED C=C(C)COC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 745745206 YWZNFWNSGPJXCN-LBPRGKRZSA-N 289.158 3.536 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1coc2ccccc12 747705226 LMUTXADKUOMTHH-SREVYHEPSA-N 296.278 3.709 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1cc(C#N)cs1)CO2 748440712 QMPXKSVFSIKOTP-MLPAPPSSSA-N 295.363 3.895 30 20 CHED CCOc1cccc(C(C)=NNc2ccc(OC)cc2)c1 750946006 LMEGALRWOURVCR-UHFFFAOYSA-N 284.359 3.930 30 20 CHED C=CCOC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 751710554 PKYSNLFWFUVQGG-WHCAJBEMSA-N 288.309 3.865 30 20 CHED Cc1nn(C)c(C)c1C=NNc1cc(Cl)ccc1Cl 751895838 VMVKUFVOEKBMOB-UHFFFAOYSA-N 297.189 3.790 30 20 CHED CCc1ncc(C=NNc2ccc(Cl)c(F)c2)s1 752164855 DAIGGOAWUIDIHS-UHFFFAOYSA-N 283.759 3.944 30 20 CHED CCCc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)OC)c2)cc1 753140986 DNDHNUFMRLMVLN-YFHOEESVSA-N 297.354 3.650 30 20 CHED C[C@H]1CCc2sc(C(=O)O[C@H](C)C(C)(C)C#N)cc2C1 753621036 FRXHCJBIELZXEU-WDEREUQCSA-N 291.416 3.968 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2ccc(O)cc2O)c1 757473618 ZVSMJJZPXVJKMM-TWGQIWQCSA-N 298.338 3.783 30 20 CHED COCCOc1ccccc1/C=C1\CCCC(C)(C)C1=O 757535356 RATOOLYPJKYQPM-FYWRMAATSA-N 288.387 3.874 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccc(C#N)cc2)c1 759209628 HCDIOMGVNIGDLC-UHFFFAOYSA-N 283.306 3.542 30 20 CHED C(=NOCc1ccccc1)c1cnc(C2CCC2)s1 760240122 SNEWRYFPDOICSO-UHFFFAOYSA-N 272.373 3.961 30 20 CHED C#CCCOc1ccc(CNc2ccc(F)cc2)cc1 760434000 UPRSIVAGLCSCJH-UHFFFAOYSA-N 269.319 3.840 30 20 CHED CCCCCCCCN1CCC[C@H](c2n[nH]c(C)n2)C1 760962432 MZHZWZOHXDXNRX-HNNXBMFYSA-N 278.444 3.653 30 20 CHED CC(=NNC(=S)Nc1c(C)cccc1C)C(F)(F)F 761745612 JEBHSHLBBQCGHJ-UHFFFAOYSA-N 289.326 3.528 30 20 CHED CCC[C@@H](C)c1noc(-c2ccc(CC#N)cc2)n1 761845355 GKBBRUZSDZYSOD-LLVKDONJSA-N 255.321 3.706 30 20 CHED C#CCOc1ccccc1-c1noc([C@H]2C[C@H]3CC[C@H]2C3)n1 761993331 PDAUFPMRGOXIAW-YDHLFZDLSA-N 294.354 3.652 30 20 CHED Cc1c(C(=O)OC2(C#N)CCC2)sc2cccc(F)c12 762094527 OCZHYDRRBCRFCH-UHFFFAOYSA-N 289.331 3.952 30 20 CHED Cl/C=C(\Cl)CON=C1CCOc2ccccc21 763179933 UORRIMQYRRQPLB-YMKMMDQASA-N 272.131 3.509 30 20 CHED CCCCCCCN[C@@H](CO)[C@@H](C)c1ccccc1 766972841 WADPVVJHOUNVGK-RDJZCZTQSA-N 263.425 3.711 30 20 CHED CON=Cc1cn(-c2ccccc2)nc1-c1ccccc1 767478298 QCXIFNBKRSNSEE-UHFFFAOYSA-N 277.327 3.520 30 20 CHED C=CCc1cc(CN2CCCCCCC2)cc(OC)c1O 768144541 TXUSZPBUGBSPOK-UHFFFAOYSA-N 289.419 3.895 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1cc(C#N)cc(Cl)n1 768376708 UYTIRIMFNQIBKE-JTQLQIEISA-N 296.761 3.615 30 20 CHED Cc1noc(C)c1[C@H](C)C(=O)OCCCCC(C)(C)C#N 768671462 PYZDBLMIPCWTJL-NSHDSACASA-N 292.379 3.658 30 20 CHED C=CCCCCNC(=S)Nc1ccc(Cl)cc1 769760899 RJOWUWWIRPSSDQ-UHFFFAOYSA-N 268.813 3.983 30 20 CHED C[C@H](C#N)CNN=Cc1ccc(-c2ccc(F)cc2)s1 771104624 UKPLDIZOAXOCBA-LLVKDONJSA-N 287.363 3.637 30 20 CHED C[C@@H]1CCN(c2snc(Cl)c2C#N)CC12CCC2 771268199 YLTIEJBMJRBVDI-SECBINFHSA-N 281.812 3.685 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cccnc2)cs1 771743425 FSDWNBBAJUJMQL-AATRIKPKSA-N 258.346 3.558 30 20 CHED C=CCC[C@H](NC(=S)NCCC)c1ccccc1 771852341 ZOIYNRWUBJMXAM-AWEZNQCLSA-N 262.422 3.568 30 20 CHED N#C[C@@H](OC(=O)c1c(F)ccc(F)c1F)C1CCCCC1 772741064 DYHQDSFREGQUHN-GFCCVEGCSA-N 297.276 3.733 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1nccnc1C(C)C 773091092 MYOFICNYUMHKAH-UONOGXRCSA-N 272.396 3.990 30 20 CHED CC(C)c1nccnc1NN=Cc1cc(F)cc(Cl)c1 773091424 OSHAAHHRQIVCOX-UHFFFAOYSA-N 292.745 3.839 30 20 CHED Cc1cc(/C=C/C(=O)c2sccc2O)cnc1Cl 773144102 XLAYZRKELCHAJV-NSCUHMNNSA-N 279.748 3.707 30 20 CHED C#CCCCCC(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 773455533 YOXHCQQHNNFGCG-HNNXBMFYSA-N 295.386 3.625 30 20 CHED CCCc1cccc(/C=C\C(=O)c2cscn2)c1 774136096 UILVFLHOBPBSIM-FPLPWBNLSA-N 257.358 3.992 30 20 CHED C=CCOc1cccnc1C(=O)OCc1c(C)cccc1C 775108374 UMULWIDBTPBMJN-UHFFFAOYSA-N 297.354 3.620 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 776390017 SLONUNNYACZZBN-RYUDHWBXSA-N 293.313 3.551 30 20 CHED C=CCN(Cc1cc(F)ccc1O)Cc1ccccc1F 778999477 NFACUXLDGBTTBX-UHFFFAOYSA-N 289.325 3.859 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1 779459616 DJMOMVROHUIMOZ-SREVYHEPSA-N 257.720 3.940 30 20 CHED CCc1cccnc1C(C)=NN[C@@H](C)c1ccccc1 779769839 AMNATWWVDQBZFF-ZDUSSCGKSA-N 267.376 3.719 30 20 CHED C[C@@]1(c2ccccc2)CCC(=NNCC(F)(F)F)C1 780241708 TXSBYYDQXYKRFR-CYBMUJFWSA-N 270.298 3.636 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1cc(C)ccc1C 780251048 RFSRHNARGLEBMG-HNNXBMFYSA-N 274.408 3.575 30 20 CHED Clc1cncnc1NN=CCC[C@H]1C[C@H]2CC[C@H]1C2 780280991 XFXJZKCCHGIKIW-WOPDTQHZSA-N 278.787 3.744 30 20 CHED CC(C)(C)CN(CCC#N)C[C@@H]1CCc2ccccc21 780289642 PGBZAWWERXBIJW-INIZCTEOSA-N 270.420 3.978 30 20 CHED C#CCCCCCC(=O)Nc1n[nH]c2c(Cl)cccc12 780675753 UQJYKBFSRCYWOU-UHFFFAOYSA-N 289.766 3.739 30 20 CHED Cc1cccc(C(=O)/C=C/c2cc(C(=O)O)cs2)c1 782200503 RWKYOTQXCSMGPY-AATRIKPKSA-N 272.325 3.651 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1ccc2c(c1)COC2 782342219 PFVUWXPIYFUMEP-AATRIKPKSA-N 297.379 3.947 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H](OC)CC1 783162559 LUDNANDZIDHDOX-MRXNPFEDSA-N 298.471 3.948 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1csc(C2CC2)n1 784876733 COLOOXXUDLLLSZ-CQSZACIVSA-N 265.378 3.666 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNCCc1ccncc1 789093237 BWGKCRATAGMLFB-MRXNPFEDSA-N 273.424 3.972 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NNCCc1ccncc1 789097388 PCTHHCISCBYDHD-UHFFFAOYSA-N 299.393 3.608 30 20 CHED Clc1cccnc1NN=Cc1ccsc1Cl 790156877 HCWSCKIAGYQIKS-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CC(C)(C)C1CCN(N=Cc2cccc(C#N)c2)CC1 790180476 GGKAPCBQNLAGJP-UHFFFAOYSA-N 269.392 3.650 30 20 CHED C=CCC1(C(=O)OCCc2ccc(OC)cc2)CCC1 791557263 ANXMFOVJXBKYFZ-UHFFFAOYSA-N 274.360 3.527 30 20 CHED N#CCCCOC(=O)CCC(=O)c1ccc2ccccc2c1 792496066 FYQJWOIQJWHJEL-UHFFFAOYSA-N 295.338 3.650 30 20 CHED C[C@]1(C=NNc2ccc(Cl)cc2[N+](=O)[O-])CCCS1 792977417 KMCUDCTXKMJIAH-GFCCVEGCSA-N 299.783 3.932 30 20 CHED CC[C@@H](C)CON=C(Cc1ncccc1C)C(F)(F)F 793160544 VHNQTYLZBXKOSS-SNVBAGLBSA-N 288.313 3.914 30 20 CHED CCC[C@H](C)OC(=O)c1ccc(C(C)(C)C#N)cc1 796037350 VSJVCDYTNRLODG-LBPRGKRZSA-N 259.349 3.833 30 20 CHED C=C(C)COC(=O)CCc1ccc(-c2ccccc2)o1 796501045 MERACASFHBCMAN-UHFFFAOYSA-N 270.328 3.999 30 20 CHED CCOc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1Cl 799721499 JRIKVEHIIBMWLI-MNOVXSKESA-N 264.756 3.843 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C)C1CC1)c1ccc(Cl)cc1F 804416988 MAPTYTMNGDOVQJ-ZUZCIYMTSA-N 293.769 3.706 30 20 CHED C=C(Cl)COC(=O)c1cc2ccc(F)cc2nc1C 806269515 GOHTYOGPLVRDLC-UHFFFAOYSA-N 279.698 3.592 30 20 CHED O=C1/C(=C\c2c[nH]c(C(F)(F)F)c2)COc2ccccc21 806565800 RYGBVWWEFHKGNG-YHYXMXQVSA-N 293.244 3.692 30 20 CHED N#Cc1cc(Cl)cc(OC[C@H]2CC2(Cl)Cl)c1 806585022 FHSYFTUAIZHONS-MRVPVSSYSA-N 276.550 3.784 30 20 CHED C#C[C@H](NC(=O)[C@H](Cc1ccccc1)C(C)C)C(C)(C)C 807880197 FBPOYTRDCLRXPS-SJORKVTESA-N 285.431 3.665 30 20 CHED CC[C@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(F)cn1 808946841 KRHXSOOKNQADIZ-INIZCTEOSA-N 298.317 3.595 30 20 CHED C#Cc1ccc(CNCc2ccc(Cl)s2)cc1 809603786 JNIVEWAVTPOMRN-UHFFFAOYSA-N 261.777 3.673 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2CC[C@@H]2CC)cc1C#N 809636695 ZAJSGBJTOOPQIS-SMDDNHRTSA-N 287.363 3.727 30 20 CHED C=CCCCCCCCN[C@H]1CCN(C)[C@@H](C)C1 810243821 VEEOPDFPLPRLKS-HOTGVXAUSA-N 252.446 3.585 30 20 CHED C=CCCCCOC(=O)c1cnc(C2CC2)s1 811010968 JMMFIKBSCJHDJR-UHFFFAOYSA-N 251.351 3.534 30 20 CHED C=CCCCCCCCNC(=O)N[C@H]1CCOC(C)(C)C1 811899141 YPJWJEQCNGNBQJ-HNNXBMFYSA-N 296.455 3.770 30 20 CHED CC(C)OCCON=Cc1ncc(-c2ccccc2)s1 812238828 HNINANSIDYKDTG-UHFFFAOYSA-N 290.388 3.586 30 20 CHED CC(C)OCCON=Cc1c[nH]c2cc(Cl)ccc12 812239205 QANPOKSXXWEDEK-UHFFFAOYSA-N 280.755 3.597 30 20 CHED C#Cc1ccccc1CC(=O)N1CCCCc2sccc21 813237423 DKCPIHGSMRBZPJ-UHFFFAOYSA-N 295.407 3.641 30 20 CHED CC(C)CC[C@@H](NC(=O)c1ccc(C#N)o1)C(C)(C)C 814116679 WLTFSVBIZZICNY-CQSZACIVSA-N 276.380 3.732 30 20 CHED FC(F)(F)c1ccccc1NN=C1COc2ccccc21 814689136 VKLJTBWYDRTIPG-UHFFFAOYSA-N 292.260 3.914 30 20 CHED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1[C@@H](C)CC 815663127 ODHXCSFZMKZFFL-NWDGAFQWSA-N 259.340 3.625 30 20 CHED C=C(C)C(C)(C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 819184857 IGIXUNDOKLQJAS-UHFFFAOYSA-N 288.435 3.703 30 20 CHED N#CCCCCCC(=O)O[C@@H](C(=O)C1CC1)c1ccccc1 820665641 XJQLKWXLTAEHLG-GOSISDBHSA-N 299.370 3.724 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccnc(Cl)c1 821337705 VUELPIOSRGNBQS-UHFFFAOYSA-N 283.762 3.559 30 20 CHED CCc1cccc2cc(CN3CCC(C#N)CC3)oc12 824646196 ZRXXTCXLDFSUSM-UHFFFAOYSA-N 268.360 3.731 30 20 CHED C#Cc1cnc(N2CC[C@@H](C)C[C@H]2c2ccc(CC)o2)nc1 827702731 WBOPYIHIKPDQNV-CJNGLKHVSA-N 295.386 3.591 30 20 CHED CCn1nnc(C)c1/C=C1/CC(C)(C)c2ccccc2C1=O 834438015 FCIRGXBKXFEQQI-RAXLEYEMSA-N 295.386 3.554 30 20 CHED CC[C@@H](C)CC=Nn1c(S)nnc1-c1ccccc1F 834926994 GLEFIJMGSGWSOQ-SNVBAGLBSA-N 292.383 3.643 30 20 CHED Fc1ccccc1-c1ncc(C=NOC2CCC2)s1 834980343 WWKXBEMYEJWRKS-UHFFFAOYSA-N 276.336 3.852 30 20 CHED CCC[C@@H](OC(=O)c1ccc(C#N)n1C)c1ccccc1 835114859 BPBRSUXMCWEKNW-MRXNPFEDSA-N 282.343 3.595 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1scnc1-c1ccccc1 835297843 HHUCFZJWCUXZSA-GFCCVEGCSA-N 287.384 3.860 30 20 CHED C#CCN(C(=O)Nc1ccc(C(F)(F)F)c(C)c1)C1CC1 836435148 FRHMWCSWXNBECC-UHFFFAOYSA-N 296.292 3.643 30 20 CHED CC(C)Oc1cc(F)ccc1NC(=O)C#CC(C)(C)C 837520207 GDMMGNUCCFKXFL-UHFFFAOYSA-N 277.339 3.601 30 20 CHED Cc1ccccc1C(C)(C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839047927 AVTQXSHPRZRTHB-LSDHHAIUSA-N 285.387 3.898 30 20 CHED Cc1cc(F)c(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1F 839056369 UEQPJSXKOOFYNE-MNOVXSKESA-N 279.286 3.512 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc3ncsc3c2)C1 839445840 VBMZCRRDEXVYOS-ZYHUDNBSSA-N 286.356 3.535 30 20 CHED C[C@H](CON=C1CCC2(CC1)OCCO2)C1CCCCC1 842021805 NFXMVJYRJFMWGJ-CQSZACIVSA-N 295.423 3.893 30 20 CHED Cc1ccc(C(=O)OC(C)(C)C#N)c2ccccc12 842322951 YOQFNXFGFDEUAF-UHFFFAOYSA-N 253.301 3.607 30 20 CHED CC(C)CC(Cc1cccc(Cl)c1)=NN(C)[C@@H](C)CO 842541207 PWMYPWQWTBVJRG-ZDUSSCGKSA-N 296.842 3.597 30 20 CHED Cc1cccc(-c2ccc([C@H](O)C3CC3)cc2)c1C#N 844231334 QFSPWDJULMAVDE-SFHVURJKSA-N 263.340 3.977 30 20 CHED CCc1ccc(C(C)=NNc2cccc(C(=O)O)c2C)o1 844623353 JDDNPDKOJKGUEI-UHFFFAOYSA-N 286.331 3.685 30 20 CHED C=CCCn1cc(/C=C2/C[C@@H](C)c3ccccc3C2=O)nn1 849246287 GWJBQDUJJCNBLS-KECPUOCWSA-N 293.370 3.628 30 20 CHED C=CCCn1cc(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)nn1 849250469 UOHZOQWRTIUEGJ-BVTUPMQUSA-N 293.370 3.546 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)CCc1ccccn1 851144156 QDQCEZPPPNADRA-HOCLYGCPSA-N 273.376 3.692 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2ccc(CO)cc2)cc1 853294160 FXEBUGIUSQMCGK-HNNXBMFYSA-N 296.414 3.987 30 20 CHED Cl/C=C/CON=CC1CCN(Cc2ccccc2)CC1 853348111 ZYPIHEVODCKLMF-PZMLKWLBSA-N 292.810 3.654 30 20 CHED C[C@H]1CCCCN1N=Cc1cccn1Cc1cccs1 853381072 ZPVKKZXZQCPPAK-AWEZNQCLSA-N 287.432 3.806 30 20 CHED Fc1cccc(Br)c1CON=CC1CC1 853734503 DWRLLTWKBSPMCJ-UHFFFAOYSA-N 272.117 3.501 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](CC=C)c1ccncc1 853748944 UDDXJFZHQLBWCD-OAHLLOKOSA-N 287.407 3.743 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1ccc(F)cc1F 853782699 KBQJYCXBVREMES-QMMMGPOBSA-N 291.750 3.778 30 20 CHED CCCCCCCNC(=O)N(C)[C@@H](C)c1ccncc1 858111759 RWCKHRBRYFVEOG-AWEZNQCLSA-N 277.412 3.754 30 20 CHED CCC(=NNc1cccc(C)n1)c1ccc(N(C)C)cc1 863159771 DHOIFCSHWOQKEP-UHFFFAOYSA-N 282.391 3.682 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCc2ccc(Cl)cc21 863633535 QPVGTRNNWDCUES-AWEZNQCLSA-N 290.794 3.773 30 20 CHED C=C(Cl)CSc1n[nH]c(CCC2CCCC2)n1 863860768 IBWQHNABQLHYMB-UHFFFAOYSA-N 271.817 3.772 30 20 CHED Cc1cnc(F)cc1-c1ccc(C2(C#N)CC2)cc1 871887449 QRURXNYKDMLZJN-UHFFFAOYSA-N 252.292 3.751 30 20 CHED N#Cc1ccc(-n2nc(C(F)F)cc2C2CC2)cc1 871943719 QQYRFDBZSHUPNR-UHFFFAOYSA-N 259.259 3.559 30 20 CHED CCCC[C@H](C)C(=O)Nc1cc(C#N)c(F)cc1F 876350792 SAWUVXFKLZISKV-VIFPVBQESA-N 266.291 3.601 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(N2CCCC2)c1 878307757 SIRWOFCKLGGVST-UHFFFAOYSA-N 272.392 3.828 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1nsc2ccccc12 892726068 MLWXHAABBPBRTI-UHFFFAOYSA-N 274.389 3.861 30 20 CHED CCc1onc(C)c1/C=C1\C(=O)c2ccccc2[C@@H]1C 899375313 WWBNLYRYJQWKEA-ADVUTCEVSA-N 267.328 3.929 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@](C)(C#N)C(C)(C)C 904181459 OQTIPOWYNOOHTR-SUMWQHHRSA-N 272.392 3.543 30 20 CHED CCn1ccnc1C(C)=NNc1ccc(Cl)cc1C 905507478 XGNOUKRSBMNVCV-UHFFFAOYSA-N 276.771 3.701 30 20 CHED CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccc(C)o1 912825200 LBZJPIUNXZXAGD-UHFFFAOYSA-N 290.273 3.579 30 20 CHED N#CCCCCOC(=O)c1cnc(-c2ccccc2)s1 915549309 HOFADUJUKRCPIP-UHFFFAOYSA-N 286.356 3.661 30 20 CHED CC(=NNC(=S)N[C@@H]1CCCC[C@@H]1C)c1cccs1 916277645 OGOHRJBITUTJHH-CMPLNLGQSA-N 295.477 3.515 30 20 CHED Clc1cccnc1NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 917548686 DXXIPUOZIWLDBK-KXNHARMFSA-N 275.783 3.959 30 20 CHED C#CCCCOC(=O)c1csc(-c2ccc(F)cc2)n1 919665618 IBYDJVKAJHMRTE-UHFFFAOYSA-N 289.331 3.519 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1cc(Cl)cc(Cl)c1 921147504 DOHSLGAVKJARLM-VIFPVBQESA-N 289.158 3.880 30 20 CHED C=CCC(C)(C)c1noc([C@@]2(c3ccccc3)CCCO2)n1 924080496 WTBRVRMRKMVJCY-SFHVURJKSA-N 298.386 3.977 30 20 CHED C=C1CN(C(=O)Nc2ccc(OC(C)C)cc2Cl)C1 931010982 GLOUDFHQPUWSNU-UHFFFAOYSA-N 280.755 3.531 30 20 CHED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Nc1ccc(C#N)cc1C1CC1 933861185 RVHXJGWZFGFMFQ-QWELVPEVSA-N 295.386 3.602 30 20 CHED C#Cc1ccc(NC(=O)NC(C)(C)CC(F)(F)F)cc1 934929858 XESPCJWZRWIURR-UHFFFAOYSA-N 284.281 3.520 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnn(CCCC)c1C 935000821 MIFTVOVFFWDWJJ-CYBMUJFWSA-N 263.385 3.532 30 20 CHED N#CCOc1ccc(NCc2cscc2Cl)cc1 1116322675 KOJFJKFKKXNDGL-UHFFFAOYSA-N 278.764 3.916 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)c2ccccc2n1 1116888647 LTIMDNVOMTUOML-RDTXWAMCSA-N 282.387 3.936 30 20 CHED COCC[C@H](NCCCCC1(C#N)CCC1)c1ccco1 1119733208 ZKMMDLKJOYVSIY-HNNXBMFYSA-N 290.407 3.811 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](N=c1cc[nH]cc1C#N)CCC2 1162980450 XHYUSOQNGJFPMJ-IBGZPJMESA-N 291.398 3.988 30 20 CHED CC(=O)Nc1ccc(SCCc2ccc(C#N)cc2)cc1 1165422198 JOUWIJVGCMGEMN-UHFFFAOYSA-N 296.395 3.851 30 20 CHED N#CCC1(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 1170062027 IWZVWGCXWBCCFY-KZNAEPCWSA-N 280.415 3.948 30 20 CHED CCCC[C@@H](C)c1nnc(COc2ccccc2C#N)o1 1261430945 HYAKGGUYKUWACA-GFCCVEGCSA-N 285.347 3.814 30 20 CHED CSc1ccc(NC(=O)CC#Cc2ccccc2)cc1 1319119615 WGRYIYIBCDPBEK-UHFFFAOYSA-N 281.380 3.789 30 20 CHED CN(Cc1cc(F)cc(F)c1)c1snc(Cl)c1C#N 1321157233 MIHQOHLEVJNURI-UHFFFAOYSA-N 299.733 3.583 30 20 CHED Cc1ccc(-c2nnc(COc3ccccc3C#N)o2)s1 1328105677 OGYLABYTFIWGIV-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CCNc1ccc(C#N)cc1NC[C@@H](OC)c1ccccc1 1328712356 CGOMWPWHZOHPBT-GOSISDBHSA-N 295.386 3.790 30 20 CHED CC(C)c1cccc(-c2nnc(-c3cccc(C#N)c3)o2)n1 1331827577 RHLZDGRJCCIISJ-UHFFFAOYSA-N 290.326 3.794 30 20 CHED C=C(C)CCC(=O)NC[C@H](COC)c1ccc(Cl)cc1 1336519231 IXLLAJCJBBIAEW-CQSZACIVSA-N 295.810 3.543 30 20 CHED C=C(C)Cn1c([C@@H](C)SC)nnc1N1CCC[C@H]1CC 1342878844 APHMAZDHMLBBMB-CHWSQXEVSA-N 294.468 3.657 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)C=C(C)C)c1cccs1 1343896165 SMIPCJMTXDMVCY-SMDDNHRTSA-N 263.362 3.848 30 20 CHED CC[C@@H](CC#N)OC(=O)CCc1ccc(SC)cc1 1344869971 SELPANGAGNYMCO-ZDUSSCGKSA-N 277.389 3.577 30 20 CHED N#Cc1ccc(S[C@H]2CCSC2)c(Cl)c1 1350117307 OQWAXOIQFUYMGB-VIFPVBQESA-N 255.795 3.809 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)O[C@@H](CC#N)c1ccco1 1350311781 PJWWAXMSRHRIJI-ZLDLUXBVSA-N 261.321 3.604 30 20 CHED C=C(C)CCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 1353679128 NZZZEMDJOYJUMV-UONOGXRCSA-N 263.768 3.668 30 20 CHED C[C@H](CC#N)N(C)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1355144089 KQJWSVQEHYJKGY-CQSZACIVSA-N 298.430 3.776 30 20 CHED C=CCn1c([C@H](C)CC2CCCCC2)nnc1N(C)OC 1355886384 FPKKKFNRWZTDSB-CYBMUJFWSA-N 292.427 3.536 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2ccc(C#N)s2)C1 1436615754 OLGBXWJAGJQYMW-SNVBAGLBSA-N 263.362 3.745 30 20 CHED N#Cc1cccc(Br)c1N[C@@H]1CC12CCC2 1458576670 CCTMXNXBPZMPBR-LLVKDONJSA-N 277.165 3.675 30 20 CHED CCCSc1cccc(NC(=O)C(C#N)(CC)CC)n1 1462058280 CRMIHBBJDHSZSA-UHFFFAOYSA-N 291.420 3.852 30 20 CHED C=C(Cl)CN1CCc2c1cccc2C(F)(F)F 1473371851 XBKPNZOHAPYPPO-UHFFFAOYSA-N 261.674 3.820 30 20 CHED CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C)C12CCCC2 1473457199 QTRLJNUTPCMFRL-QZTJIDSGSA-N 298.430 3.694 30 20 CHED CCC[C@H](C(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1524696308 QWAFWXZUBHEQRU-LSDHHAIUSA-N 296.345 3.981 30 20 CHED Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(F)c1 1529667312 WOGQSRWNEBDLFX-CYBMUJFWSA-N 296.345 3.839 30 20 CHED CC(C)(C#N)CC(=O)N1CCc2cccc(C(F)(F)F)c21 1544366216 ATEGPHLYJXDYGE-UHFFFAOYSA-N 296.292 3.534 30 20 CHED N#Cc1cccc(CN2CCc3c(Cl)cccc32)c1F 1559625296 OONIMIOXQGHHIP-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CCC1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCCCC1 1584703277 ONOWJVDPCAABGT-ZIAGYGMSSA-N 263.381 3.972 30 20 CHED C=CCCC[C@@H](Nc1cc(C(=O)O)ncn1)c1ccccc1 1588798642 MMUGGLLDENLEKG-CQSZACIVSA-N 297.358 3.684 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2ccc(F)c(C#N)c2)C1 1597593655 VTCIJXAWMLYEAZ-GFCCVEGCSA-N 288.366 3.644 30 20 CHED Cc1cccc(/C=C/C(=O)c2cc(C(=O)O)cs2)c1 1600524678 KWKHIBIRGINAIR-AATRIKPKSA-N 272.325 3.651 30 20 CHED N#Cc1cccc(SCc2ccc(C(=O)O)cc2F)c1 1601121789 YJYASQKNMQQZPY-UHFFFAOYSA-N 287.315 3.688 30 20 CHED O=C(O)c1coc(/C=C/C(=O)c2ccc(F)c(Cl)c2)c1 1610866370 JDRJGIOFEYDXRL-DUXPYHPUSA-N 294.665 3.666 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NCc1ccncc1 1611735686 HOMQFNLRPFIDCZ-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)NC[C@@H](C)C#N 1634156020 OUATWXYYAIUDBF-LSDHHAIUSA-N 281.444 3.784 30 20 CHED CC(C)(C)C1CCN(c2nc(C#N)c(Cl)s2)CC1 1639787046 GNMXUSPYVYAREQ-UHFFFAOYSA-N 283.828 3.931 30 20 CHED CCc1ccc([C@@H](N=c2cc[nH]c(C#N)c2)C(C)C)cc1 1649351935 JYSFJIUOUNZFEP-SFHVURJKSA-N 279.387 3.747 30 20 CHED CC[C@H](Cc1ccccc1)Nc1cc(C)c(C#N)cn1 1650721766 YGSXPBVQYSJMFP-MRXNPFEDSA-N 265.360 3.695 30 20 CHED N#Cc1ccc(N[C@H]2CCc3ccc(Cl)cc32)nc1 1655727456 IXDGNCDKLXZEMB-AWEZNQCLSA-N 269.735 3.706 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1673158457 SWDCVXZYGXAVIU-NWDGAFQWSA-N 285.391 3.753 30 20 CHED C[C@H](C#N)CNC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1673158460 SWDCVXZYGXAVIU-VXGBXAGGSA-N 285.391 3.753 30 20 CHED CC1(C)CC(NC(=O)N2CCC[C@H](C#N)C2)CC(C)(C)C1 1681144393 NLPVRSIRCBJKOJ-CYBMUJFWSA-N 291.439 3.536 30 20 CHED O=C(O)c1cc(NN=Cc2ccccc2C2CC2)ccc1F 1776062548 ZBXHCEHTAYNMNT-UHFFFAOYSA-N 298.317 3.847 30 20 CHED Cc1c(NN=CCCCC2CC2)cccc1C(=O)O 1776088867 NPXVHCSEIPQISV-UHFFFAOYSA-N 260.337 3.671 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(CC(=O)O)cc2)c(C)c1 1776132974 LAHWCRSLPSMRDY-CSKARUKUSA-N 294.350 3.827 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccc(C(=O)O)cc1 7915486 MMKYWZZHFRHBNW-RMKNXTFCSA-N 296.322 3.598 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)cc2)o1 19950906 QAPDGUZQUCZWRB-NHYWBVRUSA-N 252.317 3.887 30 20 CHED COc1cccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 37771488 YVRSGFGOESRNLF-KGLIPLIRSA-N 280.371 3.979 30 20 CHED CCN(Cc1cc2ccccc2nc1Cl)C[C@@H](C)C#N 42323843 CQKZTNQQKJOYQJ-LBPRGKRZSA-N 287.794 3.870 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)c(F)c2)cc1 43388355 RLMYAXRUZSXKRD-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(F)ccc1F 45159163 LSFVLYFSAFLVHG-UHFFFAOYSA-N 289.281 3.782 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccco1 45603615 XWUKFSTVBVQGEW-UHFFFAOYSA-N 281.764 3.823 30 20 CHED C[C@H](NC(=O)N(C)CC1CCCCC1)c1ccc(C#N)cc1 47051877 SAKDADRABYUXMB-AWEZNQCLSA-N 299.418 3.841 30 20 CHED CCCC/C(N)=N/OCc1cccc2ccccc12 49066199 OFGSKSHXEVXCDH-UHFFFAOYSA-N 256.349 3.819 30 20 CHED CCN(Cc1ccc(C#N)cc1F)c1ccccc1F 50011873 LLSXWZSEFIIASS-UHFFFAOYSA-N 272.298 3.863 30 20 CHED C=C(Br)CN(C)Cc1cccc(Cl)c1 52440864 ZTMZFOWFSLFMPA-UHFFFAOYSA-N 274.589 3.680 30 20 CHED COc1ccccc1CNc1ccc(Cl)cc1C#N 52856727 CBSYNZDQUNAIEX-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=C(C)CNC(=S)Nc1ccc(-c2ccccc2)cn1 54989024 OQCPVATYEAPUKS-UHFFFAOYSA-N 283.400 3.611 30 20 CHED C=CCn1c(SCCc2ccncc2)nc2ccccc21 58013090 AFNAMMNLQQVICK-UHFFFAOYSA-N 295.411 3.952 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cccc2ccccc12 60565172 JLGAUGOPELFZGP-UHFFFAOYSA-N 282.387 3.947 30 20 CHED Cc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)cn1 62056309 AVGXKBQZBZRESJ-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC[C@H](C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 68457156 KMBOQVQVQWPCMN-QPUJVOFHSA-N 285.174 3.720 30 20 CHED Cc1cc(F)cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1 76764484 CEGZKXPCRGTLCF-ZDUSSCGKSA-N 293.301 3.501 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccco2)c1 76831514 ZOXPKEMEEFBNJH-UHFFFAOYSA-N 291.306 3.701 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c(C)s1 78431241 RJNVVYHJXHXEMD-LBPRGKRZSA-N 295.367 3.731 30 20 CHED CCC[C@H]1C[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 79640857 XBRHQHVUVUGBAT-XJKSGUPXSA-N 286.375 3.744 30 20 CHED C=C(C)COc1cccc(NC(=O)CC2CCC2)c1 79956515 YZRDLYGDEMNLAF-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CC(C)(C)[C@H]1CCCN(c2cccc(C#N)n2)CC1 83798812 HCKIQYMMXHXXJQ-ZDUSSCGKSA-N 257.381 3.606 30 20 CHED CCO[C@H]1C[C@H](Nc2ccc(C#N)cc2)C12CCCC2 85678094 YBMQMESPVHQGFQ-HOTGVXAUSA-N 270.376 3.708 30 20 CHED CC[C@@H](C#N)OC(=O)C[C@H](C)Cc1ccc(Cl)cc1 89240283 VVOCHRLGFZGXEC-RISCZKNCSA-N 279.767 3.754 30 20 CHED C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H]1C 93480839 AYARQDHPUXFRTM-CVEARBPZSA-N 286.419 3.847 30 20 CHED C=CCC[C@@H](C)NCc1cc(Br)cs1 96034295 RZHIGCXUJNQWCH-SECBINFHSA-N 274.227 3.955 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CCCC1CCCCC1 97727832 MEXFLHBPRXEVJZ-CQSZACIVSA-N 264.413 3.745 30 20 CHED C=CCCC(=O)N(CC)Cc1ccccc1Cl 102226864 CTUXGDNBZZQXBF-UHFFFAOYSA-N 251.757 3.655 30 20 CHED CCCC(C#N)(CCC)NC(=O)CC1CCCC1 106422613 ARROMWMNMWNFLQ-UHFFFAOYSA-N 250.386 3.545 30 20 CHED CC(C)[C@@H](c1ccccc1Cl)N(C)CCC#N 113256734 WMBXTPQSFWNSRD-AWEZNQCLSA-N 250.773 3.883 30 20 CHED C=CC[C@H](C)NC(=O)CCc1ccc2ccccc2c1 116855119 QAVBGOGQDSLNDI-AWEZNQCLSA-N 267.372 3.853 30 20 CHED C=CCC[C@@H](NC[C@H]1CCOc2ccccc21)C1CC1 121088957 HNKTXYSOIBJVBM-NVXWUHKLSA-N 271.404 3.887 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc2c(s1)CCCC2 121504834 MYIABDQCFQXHFO-UHFFFAOYSA-N 276.405 3.729 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1cccc(C)c1 121882998 JMKVSUFPWVVBEB-ZIAGYGMSSA-N 262.349 3.580 30 20 CHED CCCCCCCC(=O)Oc1ccc(C(=O)N(C)C)cc1 123981661 DWMGQEDERSELQH-UHFFFAOYSA-N 291.391 3.654 30 20 CHED N#Cc1cnc(N[C@H](c2cccc(F)c2)C2CCCC2)cn1 126948264 NJSUPWUPOGPGPX-KRWDZBQOSA-N 296.349 3.831 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2c(C)cccc21 127945790 IRNLJVZJWZNSEV-UHFFFAOYSA-N 255.361 3.653 30 20 CHED N#Cc1cc(NCCc2ccco2)ccc1C(F)(F)F 128757141 QMQRHAWLMYIGAX-UHFFFAOYSA-N 280.249 3.825 30 20 CHED Cc1cc(C(=O)N(C)c2ccc(C#N)cc2)ccc1Cl 135408257 ZLYFOPDQHZDUTM-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C=CCCOCC(=O)Nc1ccccc1-c1ccccc1 138387277 DRJILJQVEYUDHR-UHFFFAOYSA-N 281.355 3.885 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](C)Oc1ccccc1C 150950883 KMIMZFRQCYXVMZ-HNNXBMFYSA-N 287.403 3.647 30 20 CHED CCc1ccccc1C(=O)N(CC)c1ccc(C#N)cc1 152005095 PTHGMHSEARIZJD-UHFFFAOYSA-N 278.355 3.787 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc(CC)o2)CC1 153057759 UBMBHEXUANTUGN-CQSZACIVSA-N 276.424 3.533 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 153590002 IGRNVXSNVTWDKD-HZMBPMFUSA-N 276.767 3.520 30 20 CHED C=CCC[C@@H](NC(=O)c1coc(CC)n1)c1ccccc1 153710316 GGGUGYRWGBMUHO-CQSZACIVSA-N 284.359 3.674 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1csc2ccccc12 154299122 LMJKFQKEEOPYSY-ZDUSSCGKSA-N 273.357 3.996 30 20 CHED C=CCN(C)C(=O)Nc1cccc(CCC(F)(F)F)c1 157564997 WOCGOKKYEDBLOX-UHFFFAOYSA-N 286.297 3.831 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 161273738 YGPKVLMZGXSHKG-STQMWFEESA-N 283.293 3.501 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCC[C@@H](C)C1 163834761 QESBLZVUKDWVDO-HUUCEWRRSA-N 264.413 3.601 30 20 CHED Cc1ccc(OCc2ccc(C#N)cc2C)c([N+](=O)[O-])c1 165558577 MZGFFBVFVMAXOJ-UHFFFAOYSA-N 282.299 3.662 30 20 CHED N#CCCCOC(=O)C[C@H](c1ccccc1)C(F)(F)F 171495178 RJDXVIYRROSDNA-GFCCVEGCSA-N 285.265 3.570 30 20 CHED Cc1ccc(CC(=O)N[C@H](C#N)c2ccccc2Cl)cc1 172026106 OPWMEQRPJHUKRW-MRXNPFEDSA-N 298.773 3.572 30 20 CHED C=C(Br)CNC(=O)C[C@@H](C)CCCCC 173854868 TVXCZOWDUKVYRH-JTQLQIEISA-N 276.218 3.618 30 20 CHED CC(C)c1noc(CSCCCC(C)(C)C#N)n1 178391603 YZRRFVMCRYSWKQ-UHFFFAOYSA-N 267.398 3.756 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCC[C@H]1C 178569810 MBDYTXQEVRCLQB-RISCZKNCSA-N 271.364 3.567 30 20 CHED Cc1cc(Cl)c(NC(=O)NC[C@@H](C)C#N)cc1Cl 178886397 MLWBNHKHNWXORM-ZETCQYMHSA-N 286.162 3.583 30 20 CHED C/C(=C\c1ccccc1)CN(CCC#N)Cc1ccccn1 179455038 OLHOQLLECPSSST-SAPNQHFASA-N 291.398 3.901 30 20 CHED C[C@H](c1nc2ccccc2o1)N(C)Cc1cccc(C#N)c1 180912103 RVIRHGBAIKCBMJ-CYBMUJFWSA-N 291.354 3.892 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1nc2ccccc2o1 181693158 FSCDPLQFDXRSCR-NSHDSACASA-N 259.305 3.788 30 20 CHED C=CCCCN(Cc1cccnc1)Cc1ccco1 182064878 CQWPUZLSROEJSF-UHFFFAOYSA-N 256.349 3.643 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NC[C@@H](C)C#N)cc1 182793423 BCBFUAYSUHWHHO-ZOBUZTSGSA-N 299.418 3.637 30 20 CHED CCc1ccc([C@H](C)CC(=O)N[C@H](CC)CC#N)cc1 183966968 DJBQRKCKZJBEBP-CZUORRHYSA-N 272.392 3.551 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ccccc2)C1 187668507 LDGPGDIHIYBXLW-BEFAXECRSA-N 291.398 3.806 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1ccccc1SC 187987365 NYNZKBQWACNYSR-HNNXBMFYSA-N 263.406 3.974 30 20 CHED C=CCC[C@@H](C(=O)N1CCOC2(CCC2)C1)c1ccccc1 188905226 IYVGNGKQFNYDCD-QGZVFWFLSA-N 299.414 3.518 30 20 CHED N#Cc1ccc(Oc2cnc3ccccc3c2)c([N+](=O)[O-])c1 191859653 FSPOLSISZPYPCT-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CCC1 191909216 RNGYCVGVFJQRAW-LSDHHAIUSA-N 293.451 3.690 30 20 CHED CC1(C)Oc2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2O1 193158323 KOUYDHJMTBFTGG-NWDGAFQWSA-N 272.348 3.688 30 20 CHED O=C1/C(=C\c2cccc(Cl)c2)Oc2ccccc21 206394617 CCFUFYQPADLXAW-NTEUORMPSA-N 256.688 3.956 30 20 CHED C=CC[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 206640312 FPZWJARILVGIAN-QGZVFWFLSA-N 277.367 3.936 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2cccc(F)c2F)c1 209915841 ZFWGMFOABSEUEN-FPLPWBNLSA-N 269.250 3.733 30 20 CHED N#Cc1ccc(CN2CCC[C@H]3CCCC[C@H]32)c(F)c1 217728331 PYTZUEYTHRZMAS-RHSMWYFYSA-N 272.367 3.852 30 20 CHED C=CCOC(=O)CSc1ccc(C(C)(C)C)cc1 218020247 RMHPPFOEWBILLC-UHFFFAOYSA-N 264.390 3.805 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@H]1c1ccccc1 245434409 PTZXTCCCHHFNSD-FZKQIMNGSA-N 280.346 3.890 30 20 CHED CCC1(CC)[C@H](NCCCC(C)(C)C#N)[C@H](C)[C@H]1OC 248733424 BHKBVXCPUHXRDK-RRFJBIMHSA-N 280.456 3.746 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3ccc(C#N)s3)ccc21 254952168 DCRPUZKEKBCRAM-UTCJRWHESA-N 294.379 3.508 30 20 CHED Oc1ccccc1/C=N\CCc1cc2ccccc2[nH]1 255881027 FGQMDKFXVZYIBK-PDGQHHTCSA-N 264.328 3.535 30 20 CHED CS[C@@H]1CCC[C@H](Nc2snc(Cl)c2C#N)C1 265297714 FOPNGXJKAZIGKK-JGVFFNPUSA-N 287.841 3.754 30 20 CHED CCN(CCC#N)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 266923501 NLBOLURQDBRDCG-JTQLQIEISA-N 299.201 3.859 30 20 CHED C#CCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 268717446 NUAXQSMPXBVORM-UHFFFAOYSA-N 288.778 3.684 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(SC)c1)OCC 270036667 FXKMIFSWKIBSST-CQSZACIVSA-N 279.405 3.718 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cccc(C)c2)no1 273683744 HXXKNYGUWYWOOF-GFCCVEGCSA-N 258.321 3.699 30 20 CHED C=C[C@@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1 274296051 DRFHHKCISWPFHD-KBXCAEBGSA-N 284.403 3.791 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC)c1ccccc1OCC 276046190 GSVSXMALBNVABJ-HNNXBMFYSA-N 290.407 3.754 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(C)cc2F)no1)OCC 278234710 XWFRWROSTIEUFT-CQSZACIVSA-N 290.338 3.708 30 20 CHED N#CC1(C(=O)Nc2ccc(C3CCC3)cc2)CCC1 278926232 VPHYWTXOKILXEZ-UHFFFAOYSA-N 254.333 3.586 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3(C#N)CCCC3)C2)cc1 279046427 YAKXQKMAIBEISG-NVXWUHKLSA-N 296.414 3.783 30 20 CHED CCC[C@@](C)(CC)C(=O)N(C)Cc1cccc(C#N)c1 280829446 JOQVZOASUZYQSJ-QGZVFWFLSA-N 272.392 3.733 30 20 CHED N#CC1(CCCOc2ccc3ncccc3c2)CCOCC1 281185911 BGDNROMSMXZIRO-UHFFFAOYSA-N 296.370 3.714 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccccc1SC 282140252 HQQXSGNHFVSUPV-ZDUSSCGKSA-N 275.417 3.779 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2nccs2)c1 285199308 WBFTYNGGEXOKBK-HNNXBMFYSA-N 285.372 3.688 30 20 CHED C=CCC[C@H](NCCCCCOC)c1ccco1 285971502 HFLCZGPIHQJUMB-AWEZNQCLSA-N 251.370 3.693 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)CSc1ccc(C)cc1 286099781 OMFAQHQMFNENDA-XJKSGUPXSA-N 290.432 3.532 30 20 CHED CC(C)(C#N)CCNc1cc(F)ccc1OC(F)F 288638717 CGYOGBGHROSHNQ-UHFFFAOYSA-N 272.270 3.779 30 20 CHED Cc1csc(NC(=O)CC2=CCCCC2)c1C#N 288882245 ROTLHYPUSJBVTN-UHFFFAOYSA-N 260.362 3.757 30 20 CHED C#Cc1ccc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 289809451 SREUFHWLIVFXTM-VQTJNVASSA-N 291.394 3.678 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C1CC1)C(F)(F)F)c1ccccc1 290189835 SZPLCYLPQNJHEM-ZIAGYGMSSA-N 297.320 3.803 30 20 CHED CCCCN(C)c1ccc(NC(=O)CCCC#N)cc1 291706826 ODHKAMWYEVUNOK-UHFFFAOYSA-N 273.380 3.555 30 20 CHED C#CCCCCC(=O)NCc1ccc(C(C)(F)F)cc1 294400762 XMUJYYYDMPXQPI-UHFFFAOYSA-N 279.330 3.608 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1ccnc(C(F)(F)F)c1 295074695 PQKOKTSNQQGZPX-GHMZBOCLSA-N 272.314 3.791 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1cc(F)cnc1Cl 295103185 KQOYJATVGQVCNH-VHSXEESVSA-N 256.752 3.564 30 20 CHED COCc1ccc(CNc2c(F)cc(C#N)cc2F)cc1 301081215 FMBCNQBEXDEWBH-UHFFFAOYSA-N 288.297 3.595 30 20 CHED CN(CCC#N)c1nc2cc(C(F)(F)F)ccc2s1 301611448 RJCMJJWUGGAECR-UHFFFAOYSA-N 285.294 3.665 30 20 CHED C[C@@H](Nc1nc2ccccc2[nH]1)c1cccc(C#N)c1 301857363 DLLHWRKYIQGWBV-LLVKDONJSA-N 262.316 3.608 30 20 CHED Cc1ccc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)nc1C#N 302749034 GHHSTJKIDSGXQA-NVXWUHKLSA-N 293.370 3.594 30 20 CHED Cn1ccc2ccc(Nc3c(C#N)cccc3C#N)cc21 302881520 JAMRGOAZEBCEFV-UHFFFAOYSA-N 272.311 3.665 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccc(C)cc1C 303487264 LFSNRBGCJRWPJL-UHFFFAOYSA-N 295.382 3.798 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](C)c2ccccc21 312368692 LFSNANJUANOVNF-CYBMUJFWSA-N 270.376 3.857 30 20 CHED N#CCOc1cccc(NCc2ccc3ncccc3c2)c1 315968895 MNLAFVFLIQMTSA-UHFFFAOYSA-N 289.338 3.749 30 20 CHED Cc1ccc2oc(C(=O)N(C)c3ccccc3C#N)cc2c1 316649985 DFTSWFONQZAFQU-UHFFFAOYSA-N 290.322 3.890 30 20 CHED Cc1cc(C#N)ccc1COc1cccc2c1CCCC2=O 319289944 WMHNRJUEOJPCBW-UHFFFAOYSA-N 291.350 3.965 30 20 CHED CCCCCCC[C@@H](C)NC1C[C@@H]2CC[C@H](C1)N2C 322407017 XKJQXPUWFSRQKZ-MGNMYUMUSA-N 266.473 3.950 30 20 CHED C[C@@H]1CCC[C@H](/C(O)=N/[C@@H]2CCC(O)=NC23CCC3)C1 328708817 AGRLFDSBJPQADZ-FRRDWIJNSA-N 278.396 3.811 30 20 CHED Cc1cc(/C(O)=N/C[C@@H]2CC=CCC2)c2n[nH]cc2c1 328721540 WWZFPFNEVVYLON-GFCCVEGCSA-N 269.348 3.532 30 20 CHED OC1=Nc2cc(C/C(O)=N/CC3CCCCC3)ccc2C1 329342428 SOPDNKPJSWASFM-UHFFFAOYSA-N 286.375 3.910 30 20 CHED O/C(=N/[C@H]1CSc2ccccc21)c1cc(C2CC2)on1 329557401 LCUVHTYYKLMMIZ-LBPRGKRZSA-N 286.356 3.704 30 20 CHED Cc1cc(N=C(O)[C@H]2C[C@]23CCOC3)c2ncccc2c1 329609331 CWDACIUFSNAIAE-DYVFJYSZSA-N 282.343 3.558 30 20 CHED Cc1nc(CC2CC2)oc1/C(O)=N/[C@@H]1CCCC[C@@H]1C 330024213 JPXSNKYICSFWBC-GXFFZTMASA-N 276.380 3.819 30 20 CHED COc1ccccc1[C@H](C)/N=C(/O)NC1(C)CCCCC1 330799002 IEVJWDYIPVPEEB-ZDUSSCGKSA-N 290.407 3.983 30 20 CHED C[C@H](/N=C(/O)Nc1ccccc1C(C)(C)C)[C@@H]1CCOC1 330995214 WLDGGQRZJJBLLQ-QWHCGFSZSA-N 290.407 3.735 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccncc1 335954147 UWOONCYMQAYPSI-ACJLOTCBSA-N 277.371 3.681 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1cccc2ccsc12 336439907 RISCOZMRYFTLIB-JTQLQIEISA-N 273.361 3.525 30 20 CHED Cc1nc(NCc2ccsc2)c(Cl)cc1C#N 336688021 GWOXDTWCTWLZEC-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=CCOCCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 338389430 SJMNBRKXZOYLBW-ZDUSSCGKSA-N 291.357 3.634 30 20 CHED C=CCN(CC=C)C(=O)c1cc(F)c2ccccc2c1 338485774 IASOEOSQAUGKAX-UHFFFAOYSA-N 269.319 3.793 30 20 CHED N#Cc1cccc(Oc2ccc(C#N)c3ccccc23)n1 338826772 DFTJOQOBYQJJEI-UHFFFAOYSA-N 271.279 3.770 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1OC(F)F)OCC 339440639 MEMZBBBMCRJQBX-ZDUSSCGKSA-N 299.317 3.598 30 20 CHED CCCN(CC#N)C(=O)CC1CCC(C(F)(F)F)CC1 341078642 ZWGYQCLAFSILIN-UHFFFAOYSA-N 290.329 3.507 30 20 CHED N#CCN(C(=O)C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 341149392 BJMVUGLDUZDMLS-WMZOPIPTSA-N 290.366 3.737 30 20 CHED N#Cc1ccc(F)c(CNc2ccnc(C(F)(F)F)c2)c1 342271642 XLFDOHYIUDZDEA-UHFFFAOYSA-N 295.239 3.723 30 20 CHED N#Cc1c(F)cccc1OCc1nc(C2CC2)cs1 342495619 UUYAKKFHGFRUTJ-UHFFFAOYSA-N 274.320 3.610 30 20 CHED CC(C)C[C@H](C)CC(=O)N(CCC#N)CC(C)(C)C 344477108 UYJJMDYKKGMQFA-AWEZNQCLSA-N 266.429 3.847 30 20 CHED Cc1cc(C)c(C(=O)NCC(C)(C)CCC#N)c(C)c1 345735851 DIVWVLZDUGEIKD-UHFFFAOYSA-N 272.392 3.672 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCC(C)(C)[C@H]1CC=C 347481726 KGSAZWIZKGOOJN-HUUCEWRRSA-N 279.424 3.561 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1F)c1c(C)noc1C 348142732 ZFXAXXKCICTCIB-CQSZACIVSA-N 287.338 3.543 30 20 CHED CC(C)Oc1ccc(NC(=O)C(C)(C)C(F)F)cc1C#N 348361800 HFGZFRVMYZITRT-UHFFFAOYSA-N 296.317 3.575 30 20 CHED C=CCC[C@H](C)NCc1ccccc1-c1cnn(C)c1 349782055 HYJHLRZZWIUUPU-AWEZNQCLSA-N 269.392 3.531 30 20 CHED C=CC[C@@H]1N(C(=O)c2oc(CC)nc2C)CCCC1(C)C 351104140 ATTKZWUQRBJIQV-ZDUSSCGKSA-N 290.407 3.752 30 20 CHED N#Cc1ccccc1CSCCNC[C@H]1C[C@H]2C=C[C@H]1C2 351483802 PKLNQRVTOVSCNP-RLFYNMQTSA-N 298.455 3.593 30 20 CHED C[C@@H]1CCc2nc(/C=C/c3ncccc3C#N)sc2C1 352007981 NRKQRAFEGGIDHY-XUIVZRPNSA-N 281.384 3.705 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N(C)[C@H](C)CC#N)c1 352576514 JBOXDTMDWKWGPL-HUUCEWRRSA-N 286.419 3.749 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@H](C)C1 354112339 XMGPBOBXSKKLOI-JSGCOSHPSA-N 285.391 3.755 30 20 CHED C[C@H](N[C@H](C)c1nc2c(s1)CCC2)c1ccc(C#N)cc1 355130334 ZDEMHVAOVVXKJL-NWDGAFQWSA-N 297.427 3.915 30 20 CHED CC1(C)CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 355542119 JONXELLCBLUNPP-INIZCTEOSA-N 284.403 3.723 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 356305731 AGEATFXRTCOCHG-DJIMGWMZSA-N 284.403 3.769 30 20 CHED Cc1ccc([C@H]2CCN(c3ncccc3C#N)C2)c(C)c1 359850564 DPKRPCSIDAJVGB-INIZCTEOSA-N 277.371 3.564 30 20 CHED CC(C)(CCCc1ccccc1)CNC(=O)CCCC#N 360204227 KHJRVEFBQHHGOY-UHFFFAOYSA-N 286.419 3.846 30 20 CHED CC[C@@H](NC(=O)CCCC#N)C(C)(C)c1ccccc1 360346742 RBAGSWXFYRWREG-OAHLLOKOSA-N 272.392 3.553 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc([C@@H]2CC2(C)C)no1 361020992 BWNOXQDKGCECCF-GWCFXTLKSA-N 267.332 3.607 30 20 CHED CC(C)(C#N)CNC(=O)Nc1cccc(C2CCC2)c1 361793930 FVIVSHFHHTTZRC-UHFFFAOYSA-N 271.364 3.625 30 20 CHED C=CCCCCCN1CCC2(CCOCC2)[C@@H]1C 373239569 DKYZQOXCYZPSBO-HNNXBMFYSA-N 251.414 3.624 30 20 CHED C#CC[C@H](NC/C(Cl)=C\Cl)c1ccccc1 381540130 HIKMGCOUFMOMBX-SRXBQZRASA-N 254.160 3.660 30 20 CHED N#Cc1cc2c(nc1NCc1ccc(F)cc1F)CCCC2 386394017 JVESFKOZYUDGDO-UHFFFAOYSA-N 299.324 3.722 30 20 CHED C=C(CC)CNc1cccc(OC)c1Br 389965199 XGESKXCTCRTRMR-UHFFFAOYSA-N 270.170 3.836 30 20 CHED C[C@H](CNc1ccc(F)cc1C#N)COCc1ccccc1 390155441 WIAKAJBGKGZCRA-CQSZACIVSA-N 298.361 3.962 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Oc2ccccc2)ccn1 410116947 LANBRDTYPZTYTJ-CQSZACIVSA-N 296.370 3.958 30 20 CHED C[C@@H](CCNC(=O)c1ccc(CC#N)cc1)c1ccccc1 410211674 UKYOXPNRKSUJLM-HNNXBMFYSA-N 292.382 3.676 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1sc(C(C)(C)C)nc1C 410826217 HSSLUVWPASNNKM-NSHDSACASA-N 293.436 3.513 30 20 CHED C[C@@H]1C[C@H](CNc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)O1 413538416 SSIDMUDAYGBJMC-CKYFFXLPSA-N 298.308 3.802 30 20 CHED C[C@H](NCC(C)(C)CC#N)C(C)(C)c1ccccc1 414158401 AAKPVLVISWFVJF-AWEZNQCLSA-N 258.409 3.882 30 20 CHED CN(C(=O)NCC(C)(C)CC#N)[C@H]1CCC[C@@H]1C(C)(C)C 419508164 QMRNAGPQCCMWTD-KBPBESRZSA-N 293.455 3.782 30 20 CHED CC[C@@H](CSCc1ccc(Cl)cc1C#N)OC 419621510 FTTYIMUBHGUBBB-ZDUSSCGKSA-N 269.797 3.870 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](CC(F)(F)F)C1 420844486 ALZOSGLPXKYWNH-NWDGAFQWSA-N 292.345 3.715 30 20 CHED C=C(C)CN(CC)C(=O)Nc1nc2c(s1)CCC2(C)C 421118988 NLBZLMVBFMVONE-UHFFFAOYSA-N 293.436 3.797 30 20 CHED N#Cc1ccc(CNCc2cccc(C3CC3)c2)s1 421348399 FTFRVTCYWFSVOS-UHFFFAOYSA-N 268.385 3.787 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cccc(OC3CCCC3)c2)C1 424190749 GIWJTFHQIRSRSA-ZBFHGGJFSA-N 284.403 3.790 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(Br)cc1 424589893 FBQYLSIJSFPOSJ-UHFFFAOYSA-N 296.208 3.668 30 20 CHED C[C@@H]1CC[C@@H](CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 425512834 DZSYDKXWORISFE-IIAWOOMASA-N 299.418 3.697 30 20 CHED C=CCC[C@H](C)N[C@H](C(=O)OC)c1ccc2ccccc2c1 428391940 XZZRQJHLUCYOGY-KSSFIOAISA-N 297.398 3.998 30 20 CHED C=CCC[C@H](C)Nc1cc(COC)cc(C(=O)OCC)c1 430215096 BQJFCUVXSVHONT-ZDUSSCGKSA-N 291.391 3.776 30 20 CHED Cc1ncccc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 430608516 DIARNDSOXVMEKH-GFCCVEGCSA-N 299.399 3.634 30 20 CHED C=CCCCC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 430668948 YWGQPDADGNPKJI-YVEFUNNKSA-N 275.367 3.922 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cccc(C#N)c1C 432269048 PSIKOGPXVMWFKE-VXGBXAGGSA-N 273.380 3.813 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc2cccnc12 432640131 CYLFNKRSZFCRSO-UHFFFAOYSA-N 283.375 3.959 30 20 CHED CC1(C)CCCN(C(=O)CCC2CCCCC2)[C@@H]1C#N 434015953 FJAVSZJXIXUKHE-OAHLLOKOSA-N 276.424 3.888 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1c(Cl)cccc1C#N 435591184 CJNOYSWNGOQGIZ-SWLSCSKDSA-N 276.767 3.605 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc2ccsc12 436151136 GGQCOEJCDUGTCL-UHFFFAOYSA-N 282.324 3.927 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2c(C#N)cccc2C#N)C1 436389300 ULFLUADUFNGZHH-QGZVFWFLSA-N 287.366 3.732 30 20 CHED C[C@H](c1cccnc1)N(C)Cc1ccc(C#N)cc1Cl 439436566 IHJWHEQVDXQHIK-GFCCVEGCSA-N 285.778 3.800 30 20 CHED N#C[C@H]1CC[C@H](NCC2(c3ccccc3Cl)CC2)C1 442846471 OJBXTNRZZCMULX-STQMWFEESA-N 274.795 3.653 30 20 CHED C=CCOc1ccc(CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 448904593 RVWYDLRIIRKINR-GASCZTMLSA-N 287.403 3.583 30 20 CHED C=CCC1(NCc2scnc2C)CCCCC1 449572166 IMROLGOCQNFGMN-UHFFFAOYSA-N 250.411 3.820 30 20 CHED C[C@H]1CSc2ccccc2N1CC1(C#N)CCC1 450577920 GGQGBWNMGJFHMK-LBPRGKRZSA-N 258.390 3.681 30 20 CHED C=CCC1(CNc2ncc(C(F)F)cn2)CCCC1 450848030 SMUFIXBKQPFSRH-UHFFFAOYSA-N 267.323 3.963 30 20 CHED CC(=O)CCCCCOc1c(C#N)cnc2ccc(C)cc12 450957495 KOEXTTYPFFETOK-UHFFFAOYSA-N 296.370 3.943 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@]2(CCSC2)C1 451963117 HBRHYTAVPROKFO-MRXNPFEDSA-N 280.481 3.926 30 20 CHED CC(C)[C@H]1CN(C(=O)C2(C#N)CCCCC2)[C@H]1C(C)C 456323470 HNXOIBGEUHBMLI-CABCVRRESA-N 276.424 3.599 30 20 CHED Cc1ccc(CN(C)C(=O)c2ccc(CC#N)cc2)cc1C 456971600 YQHYPWILHQREMV-UHFFFAOYSA-N 292.382 3.642 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 457315341 ZFHCTRIKXUXNFV-QFBILLFUSA-N 296.414 3.796 30 20 CHED C=C(CC)CNC(=O)N(CC)[C@@H](C)Cc1ccsc1 459085659 VLNVULWSMSLODO-ZDUSSCGKSA-N 280.437 3.677 30 20 CHED CCN(Cc1c(F)cc(C)cc1Cl)C[C@@H](C)C#N 459326551 MSRYYUDMGVCFDI-NSHDSACASA-N 268.763 3.769 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc2c(s1)CCC2 459648316 KSLZJNZUEOQYRS-TUAOUCFPSA-N 264.438 3.883 30 20 CHED CCC1(C)CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 462025088 DUBNEJQXNQUNPQ-AWEZNQCLSA-N 284.403 3.700 30 20 CHED COC[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N 463258627 QXTJIAYWVUUXMJ-LBPRGKRZSA-N 284.384 3.747 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)C[C@@H]1CCc2ccccc2C1 464162305 MOLRTXGMGMZOAD-AUUYWEPGSA-N 298.430 3.626 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 465228269 WVNWYJGJLOKMAY-RKDXNWHRSA-N 287.190 3.928 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1nc2ccccc2s1 467863706 OLIFLLNMVQZHTH-HNNXBMFYSA-N 274.389 3.861 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1CCC[C@@H]1C 469709687 ZAAPFRKHGWHMTP-HOCLYGCPSA-N 278.440 3.991 30 20 CHED C=CC[C@H]1N(C(=O)c2scnc2CC)CCCC1(C)C 470290696 WOKDCTZTLZZGEE-CYBMUJFWSA-N 292.448 3.912 30 20 CHED C=CCCCCNC(=O)Nc1cc(F)c(F)cc1F 473676021 LVDXAKZLZYRJSM-UHFFFAOYSA-N 272.270 3.582 30 20 CHED C=CCN(C(=O)[C@H]1CC12CCCC2)c1ccccc1 474249809 FNUHFCLUGWJAPW-OAHLLOKOSA-N 255.361 3.786 30 20 CHED CC(C)c1cccc(CNC(=O)c2ccc(C#N)cc2)c1 475961783 YFJISWAFKHWFKM-UHFFFAOYSA-N 278.355 3.612 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@H](C(C)(C)C)C1)OCC 478452905 DLDRGTOSUMFGOV-GJZGRUSLSA-N 281.440 3.642 30 20 CHED Cc1ccc(CCC(=O)N(C)c2ccccc2C#N)c(C)c1 479689915 RSNFWCFAZSYIOT-UHFFFAOYSA-N 292.382 3.771 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)s1 486809563 GBVDUGAGWUKBMG-CHWSQXEVSA-N 290.432 3.954 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCN(c2ccccc2F)C1 488747660 ANCITORDPXJSGB-CQSZACIVSA-N 299.324 3.527 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(OCC2CC2)cc1 488967371 AXTDEDSUHYYLMQ-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C=CCn1cccc1C(=O)N1CCC(C(C)(C)C)CC1 488984250 SDVIIIMBTISTHZ-UHFFFAOYSA-N 274.408 3.572 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C\c1scnc1C 492682613 PUJGCCAUQJWMDX-KTKRTIGZSA-N 298.411 3.680 30 20 CHED CC[C@H]1CCCCN1CCNc1c(F)cc(C#N)cc1F 500418138 DOPPKSJJSCNNDA-ZDUSSCGKSA-N 293.361 3.513 30 20 CHED C=C(C)CCc1noc(-c2ccc(C)c(OC)c2)n1 508642549 AJOGNRCMVKGLAL-UHFFFAOYSA-N 258.321 3.562 30 20 CHED C=CCOc1ccc(CN2CCOC(C)(C)C2)cc1Cl 509561310 QIMGDQYKFOLROH-UHFFFAOYSA-N 295.810 3.516 30 20 CHED C=C1CCN(Cc2cc(Br)ccc2F)CC1 513485533 RDZHIFAMCWVFML-UHFFFAOYSA-N 284.172 3.740 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1cc(C)ccc1C 520659261 BWPWJFRFVBMLRK-HNNXBMFYSA-N 275.392 3.638 30 20 CHED C=CCNC(=O)Nc1ccc(NCCCC(C)C)cc1 526123448 NPNGTNYUNZLDGQ-UHFFFAOYSA-N 275.396 3.842 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(OC(C)C)cc1 526949802 MJVGTTQHJVOQBY-SFHVURJKSA-N 289.419 3.735 30 20 CHED N#CCN(Cc1cnc(C2CCCCC2)s1)C1CC1 535823691 PVDDPRDTEPKHTA-UHFFFAOYSA-N 275.421 3.679 30 20 CHED CC[C@@H]1CCC[C@@H]1NCCSCc1ccccc1C#N 539076359 RTQAHTVBJUYPIR-PBHICJAKSA-N 288.460 3.960 30 20 CHED CC(C)(C)[C@H](COc1ccccc1F)NCCCCC#N 539493908 UIMCFNKOXNNVOV-INIZCTEOSA-N 292.398 3.903 30 20 CHED Cc1ccnc(N2CC[C@H](C)[C@H]3CCCC[C@H]32)c1C#N 542205980 TZAKELSBXNFOFX-SQWLQELKSA-N 269.392 3.667 30 20 CHED CCCN(CC1CC1)c1ncc(Cl)c(C)c1C#N 544145041 GUAGZHMOJYWGFE-UHFFFAOYSA-N 263.772 3.542 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc2c1CCN2C(C)=O 546691725 HMKDUHSHVZHTAF-STQMWFEESA-N 272.392 3.608 30 20 CHED C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(C#N)cc1Cl 554370577 VCUQOOQAEQKDDI-JWYUURKGSA-N 270.710 3.516 30 20 CHED CC(C)CO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C 557807226 DXVPVZVCXMDCHV-LSDHHAIUSA-N 292.448 3.549 30 20 CHED N#CCCOCCN1CCCCC[C@@H]1/C=C/c1ccccc1 559110439 MQMIEJZRMAQYLV-TZZQJPOUSA-N 298.430 3.875 30 20 CHED N#CC1(CS[C@@H]2CCCN(Cc3ccccc3)C2)CC1 566678123 RCYODXODNKYOAO-MRXNPFEDSA-N 286.444 3.688 30 20 CHED N#CCN(C(=O)Cc1coc2ccccc12)c1ccccc1 567271254 KBKBHYGUCXMIDT-UHFFFAOYSA-N 290.322 3.532 30 20 CHED CSCc1cnc(CN2CCC(CCC#N)CC2)s1 568513013 VSAKTEHGXIVCCO-UHFFFAOYSA-N 295.477 3.522 30 20 CHED N#Cc1cc2c(nc1N[C@H]1CCC[C@@H](F)C1)CCCC2 571202703 GQBRDNPIGCLXBK-KGLIPLIRSA-N 273.355 3.525 30 20 CHED Cc1cccc(CCC(=O)Nc2scc(C)c2C#N)c1 571361466 DAIBRKKTCNOKJF-UHFFFAOYSA-N 284.384 3.808 30 20 CHED C[C@H](Sc1nc2c([nH]1)CCC2)c1cccc(C#N)c1 571471383 DRADFGWSMCZCAE-JTQLQIEISA-N 269.373 3.623 30 20 CHED C=CCCC[C@@H](C)N(C)CCOCc1ccc(C#N)cc1 571558565 APKNRMZLDDYTGI-MRXNPFEDSA-N 286.419 3.751 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] 571967007 HRJIPVCSBKSHEG-MBNYWOFBSA-N 285.347 3.847 30 20 CHED CCCC[C@H](CC)C(=O)NC1(c2cccc(C#N)c2)CC1 576168275 ZYPMXNCLCFCCTF-HNNXBMFYSA-N 284.403 3.880 30 20 CHED CCN(CC#N)C(=O)c1ccccc1Nc1ccc(C)cc1 576891663 JXVMKTVEISQLMD-UHFFFAOYSA-N 293.370 3.724 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCSC1 577091252 UVVJYLXVLPPIQU-INIZCTEOSA-N 289.444 3.735 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(C)[C@H](C)C1CC1 580385988 RYRPHWSGYZEMIA-CYBMUJFWSA-N 288.439 3.747 30 20 CHED CO[C@H](CN1CCCc2cc(C#N)ccc21)c1ccccc1 580396579 QJQJLTCGQIHNME-LJQANCHMSA-N 292.382 3.699 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 584876264 LVFOUTBTEXAQFM-TZMCWYRMSA-N 290.407 3.805 30 20 CHED N#CCCCCCC(=O)NCCCc1cccc(Cl)c1 588154714 FUZCVEHULSIAAQ-UHFFFAOYSA-N 292.810 3.863 30 20 CHED C[C@@H](CCC#N)Sc1nnc(-c2ccccc2F)o1 591125143 XZVSSWQBGHAPPX-VIFPVBQESA-N 277.324 3.660 30 20 CHED Cc1cc(N2CCS[C@H](c3ccccc3)C2)c(C#N)cn1 591822280 VVHZMIHEFNNIFH-KRWDZBQOSA-N 295.411 3.556 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1=CCCC1 592071438 GEIDEPPQHOBKPA-MSOLQXFVSA-N 266.388 3.868 30 20 CHED N#CCCC1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 592135998 XONGNJZNHYUPCL-IRXDYDNUSA-N 272.367 3.697 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 593406518 DDRLQLDVZDUEKR-WFASDCNBSA-N 290.382 3.969 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C1CCCCCC1 593955636 RMJWXKORQOPERZ-OAHLLOKOSA-N 298.430 3.918 30 20 CHED Cc1cc(C#N)ccc1CN1CCC=C(c2ccccn2)C1 593995348 XMHUMCOLKXUAAR-UHFFFAOYSA-N 289.382 3.551 30 20 CHED Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1Cl 594420760 NCAOGEQNTBLQGC-UHFFFAOYSA-N 262.740 3.527 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nc(C#N)c(Cl)s1 596136537 BKXARHAYEZASPJ-KKZNHRDASA-N 281.812 3.826 30 20 CHED CCOc1cc(N[C@@H](C)c2cccc(C#N)c2)c(F)cn1 596145155 RHSUCGBYVREQNC-NSHDSACASA-N 285.322 3.664 30 20 CHED CC1(C)CN(c2nc3ncccc3cc2C#N)[C@H]2CCC[C@@H]21 596247021 KQIGEFZPCUNOJL-GJZGRUSLSA-N 292.386 3.516 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)c1cc(C(C)(C)C)ncn1 596280665 AEHZBSWODOVWDG-ZDUSSCGKSA-N 294.402 3.843 30 20 CHED CCS[C@@H](C)c1noc(CSCC2(CC#N)CC2)n1 596351742 YNDAMDZKMYHREB-JTQLQIEISA-N 297.449 3.811 30 20 CHED C=CC[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 596428264 RPOURKVLCILJAN-CYBMUJFWSA-N 288.347 3.590 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 597995462 QSJYYJOMKDWEQG-GFCCVEGCSA-N 288.778 3.640 30 20 CHED CCCN(C(=O)[C@@H]1CC12CC2)c1cc(Cl)ccc1C#N 598808081 DPGSZYGKOITFRA-ZDUSSCGKSA-N 288.778 3.755 30 20 CHED C[C@@H](CN(C)C(=O)NCC(C)(C)CC#N)C1CCCCC1 599074640 SNPLZKFMCOQSTM-AWEZNQCLSA-N 293.455 3.784 30 20 CHED C[C@@H](Nc1cccc2c1OCC2)c1cccc(C#N)c1 600852576 PWFFFCWZVGEATD-GFCCVEGCSA-N 264.328 3.666 30 20 CHED COc1cccc(-c2nc(CSCCCC#N)co2)c1 601064035 BWJKYHKDDODLRG-UHFFFAOYSA-N 288.372 3.887 30 20 CHED C=CC1CCN(C(=O)Nc2cccc3c2ccn3C)CC1 601157276 JIVYISRKKJHQSI-UHFFFAOYSA-N 283.375 3.608 30 20 CHED Cc1ccc(OCCCCNC[C@H](C)CCC#N)cc1 602515750 DCYQYEFKZDZOBR-MRXNPFEDSA-N 274.408 3.684 30 20 CHED COc1cc(NC[C@H](C)CCC#N)ccc1Cl 602640978 SXGHLHUCUZUNMC-SNVBAGLBSA-N 252.745 3.700 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)c1ccccc1F 603737095 ZIJVFAAWNIWDHE-UHFFFAOYSA-N 282.318 3.558 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC(C)(C)[C@H]1c1ccccc1 604900781 JQPULZJXQULPEG-UKRRQHHQSA-N 272.392 3.744 30 20 CHED CC(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 609579379 DTEUEOHJJXXEDG-QWRGUYRKSA-N 290.432 3.975 30 20 CHED CC(C)n1cc([C@@H](C)Nc2ccc(C#N)cc2F)cn1 609585956 FTTPCILEXWWNDI-LLVKDONJSA-N 272.327 3.648 30 20 CHED CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)C#N)c(C)c1 609843140 LTBLZEGOYGQJMA-RYUDHWBXSA-N 276.405 3.984 30 20 CHED CCC(CC)(CC)NC(=O)c1cc2ccccc2n1CC#N 610185574 AAXGJCIJIJQEPH-UHFFFAOYSA-N 297.402 3.863 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 610239448 CRELKTVZKOQQJE-QWRGUYRKSA-N 298.308 3.617 30 20 CHED C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1cccc(C#N)c1 610364067 MFEMGVNAZDGCPK-GFCCVEGCSA-N 289.338 3.531 30 20 CHED COC(C)(C)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 611393510 VJVDVVWMRNVPPB-SUMWQHHRSA-N 286.419 3.729 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 611417566 FHNGYTISENCDCM-UONOGXRCSA-N 285.391 3.663 30 20 CHED Cc1cccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)c1F 611434277 WZCIPEHXCSBUHH-GFCCVEGCSA-N 297.333 3.889 30 20 CHED N#Cc1ccc(S[C@H]2CCCOC2)cc1C(F)(F)F 611728439 UMWFKGGGAMFREV-NSHDSACASA-N 287.306 3.848 30 20 CHED CCCOc1cccc(CN2CCC[C@@](C)(C#N)C2)c1 612405639 BSQIHSWQINBBHS-KRWDZBQOSA-N 272.392 3.601 30 20 CHED CCC(C)(CC)C(=O)Nc1ccc(C#N)c(Cl)c1 613395438 DTVFLAABHLUMJW-UHFFFAOYSA-N 264.756 3.976 30 20 CHED C=CCCNC(=O)c1sc(-c2ccccc2C)nc1C 617617572 MFBCMCGSXZLHAT-UHFFFAOYSA-N 286.400 3.733 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3ccccc3n2C)C1 617785995 RERALLXAUZNCKM-AWEZNQCLSA-N 282.387 3.607 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCC[C@H](OC)C2)CCCC1 619110446 KOHYDMBMNDBDBC-CABCVRRESA-N 279.424 3.587 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCCCCC(=O)C2)CCCC1 619110954 RXBXORJCQHWQBQ-CQSZACIVSA-N 277.408 3.531 30 20 CHED N#C[C@@H]1N(C/C=C\c2ccccc2)CCC[C@@]12CCCCO2 619195108 QENPOEDRMNPJMG-FJOVNSMMSA-N 296.414 3.627 30 20 CHED N#Cc1ccc(CN[C@H]2CCCc3cccnc32)cc1Cl 619754664 HANKIWNOPFQYEK-INIZCTEOSA-N 297.789 3.774 30 20 CHED C=CCC[C@@H](NCc1cccnc1C)c1ccco1 624163929 QNUOTEGUHYYYPG-OAHLLOKOSA-N 256.349 3.780 30 20 CHED CCC(=O)c1cccc(C#N)c1Oc1nc(C)cc(CC)n1 631473763 UFDOJWHANHDFNX-UHFFFAOYSA-N 295.342 3.604 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](C)c1cnc(C)nc1C 637966248 OZWXUNGJZXFENL-AWEZNQCLSA-N 299.393 3.982 30 20 CHED C=CCCCCN1CCO[C@H](c2ccc(F)cc2)C1 649244647 OHOWLPAHACKLQF-INIZCTEOSA-N 263.356 3.555 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1C 650381844 JQNBODSQVMGASB-LSDHHAIUSA-N 257.377 3.569 30 20 CHED C=CCC1(CNC(=O)[C@H](C)c2c(C)noc2C)CCCC1 654082094 DOBCKPRMDOXCLP-GFCCVEGCSA-N 290.407 3.648 30 20 CHED C=CCC1(NCc2cnc3c(cnn3C(C)C)c2)CCCC1 657703360 XUSKTBDZLUDREI-UHFFFAOYSA-N 298.434 3.991 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(C(F)(F)F)c(OC)c1 665105618 PKOCPWXYCFGRLF-UHFFFAOYSA-N 299.292 3.528 30 20 CHED C=CCC1(NC(=O)Nc2sc(C)nc2C)CCCC1 666286658 NOUIDYPTMNULPR-UHFFFAOYSA-N 279.409 3.770 30 20 CHED C=CCCN[C@@H](COC)c1cccc(C(F)(F)F)c1 678780831 RAYQDAOAGHWERU-ZDUSSCGKSA-N 273.298 3.559 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ccccc1F 678881619 PPAQHTHRUNMTCZ-ZDUSSCGKSA-N 263.356 3.619 30 20 CHED C=CCCOCc1nc(Cc2c[nH]c3cccc(C)c23)no1 680741178 GWXKRMASVRCQRS-UHFFFAOYSA-N 297.358 3.543 30 20 CHED CO[C@H](CNc1cccc(F)c1C#N)C1CCCCC1 695070169 FKQNTLHFKNSEHZ-MRXNPFEDSA-N 276.355 3.705 30 20 CHED C#CCN(Cc1ccccc1)[C@@H](C)Cc1ccccc1OC 725806695 MLYNACJNCFCMPB-KRWDZBQOSA-N 293.410 3.762 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2ccc(Cl)cc2)c1 728482392 KDZSGWHPPBEALC-UHFFFAOYSA-N 297.785 3.917 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C/c1cccc(O)c1O)CC2 730147868 VNTJFXXHNCZTRN-ZNBBLSJYSA-N 267.328 3.513 30 20 CHED CCc1oc2ccccc2c1C=NNc1nc(C)cc(C)n1 730542950 BFWLSGDGNBBLKS-UHFFFAOYSA-N 294.358 3.848 30 20 CHED CC(=NNc1ccc(F)cn1)c1cc2ccccc2o1 731318769 LXVBSNJOYJMNPW-UHFFFAOYSA-N 269.279 3.803 30 20 CHED C=CC[C@H](NC(=O)C=C1CCCCC1)c1ccncc1 734459181 JMCNJKTXYTUPEV-INIZCTEOSA-N 270.376 3.706 30 20 CHED COCCC(=NOCc1ccccc1)c1ccc(F)cc1 734745778 DDBSOLZAIQTSRV-UHFFFAOYSA-N 287.334 3.783 30 20 CHED CCc1oc2ccccc2c1C=NO[C@H](C)c1nc(C)no1 736296277 AWSWOBLZRCTHHV-SNVBAGLBSA-N 299.330 3.798 30 20 CHED CC(C)(C)CC(=Nn1cnnc1)c1ccc(Cl)cc1 740760494 VOHQGTFMWMFROI-UHFFFAOYSA-N 276.771 3.620 30 20 CHED COc1ccc2c(c1)CCCC2=NOCCC(F)(F)F 740872429 ACSKWXFLKNWOJQ-UHFFFAOYSA-N 287.281 3.705 30 20 CHED CO[C@H](C/N=C/c1ccccc1O)c1ccc(Cl)cc1 741758162 RCNQZUAELYHUSI-VHWUNXFSSA-N 289.762 3.852 30 20 CHED COCc1cccc(/C=C2/Cc3cc(C)ccc3C2=O)c1 742432504 BHAXMUUNENUQAB-YVLHZVERSA-N 278.351 3.964 30 20 CHED C#CCCCNC(=O)[C@](C)(CC)CCCCCC 742786177 LHOHPTSXYMHKTJ-MRXNPFEDSA-N 251.414 3.903 30 20 CHED C[C@H](OC(=O)[C@@H]1Cc2ccccc21)c1cccc(C#N)c1 744102136 NNONJLNBSFSDOD-YVEFUNNKSA-N 277.323 3.502 30 20 CHED C#C[C@@H](C)OC(=O)c1oc2ccc(Cl)cc2c1C 744181315 OGRSTFPBUNFBFM-MRVPVSSYSA-N 262.692 3.573 30 20 CHED COc1ccc(C)cc1C=NNc1ccc(C)cc1 744544280 QNNAHCBHYGMVKE-UHFFFAOYSA-N 254.333 3.758 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)Cc2ccc(F)cc21 749005042 ICAOUIAZJWGUIN-VZUCSPMQSA-N 273.694 3.697 30 20 CHED C#CCN(CC)C(=O)Nc1ccc(CCCCC)cc1 749226502 VCQGBFDLVDJFIK-UHFFFAOYSA-N 272.392 3.906 30 20 CHED COc1cccc(NN=C(CSC)c2ccccc2)c1 749442920 AXRQNJWRVSRTOA-UHFFFAOYSA-N 286.400 3.874 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1nc2ccccc2[nH]1 751130405 AJXMVUSAHJWBRQ-LLVKDONJSA-N 276.343 3.571 30 20 CHED CC(C)c1nnc(S)n1N=C[C@H]1CCCC(C)(C)C1 752723143 USVJCLWUSZRMNI-NSHDSACASA-N 280.441 3.741 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1nccs1 754712849 VOWQPBNBSGOKAO-UHFFFAOYSA-N 286.278 3.965 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@H]1CSC 754862029 JEFIUCXGTKKCBQ-CQSZACIVSA-N 286.485 3.884 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1c(F)cc(C#N)cc1F 755328512 KJPNYPMWFXIDJV-ISTVAULSSA-N 293.313 3.818 30 20 CHED CC#CCCNC(=O)[C@](C)(CC)CCCCCC 756140027 MWTAJZULSACDAC-MRXNPFEDSA-N 251.414 3.903 30 20 CHED C[C@H]1C[C@H](NCc2cccc(C#N)c2)c2c(O)ccc(F)c21 756394788 YKSZMIQSBJTHSI-NHYWBVRUSA-N 296.345 3.741 30 20 CHED N#CCc1ccc(NC[C@@H]2CCc3ccccc32)cc1 757741815 BFUPMWFRBYRAQW-INIZCTEOSA-N 262.356 3.895 30 20 CHED COc1ccc(NC(=S)NN=C(C)CC2CCC2)cc1 758363834 XJWCIDXMFMFPPE-UHFFFAOYSA-N 291.420 3.548 30 20 CHED Cc1ccnc(NN=Cc2nc3ccc(F)cc3s2)c1 761810201 NBMVRPOCDWNPQU-UHFFFAOYSA-N 286.335 3.585 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(C#N)s1 762446611 CNSHSXIUYKROII-UHFFFAOYSA-N 276.752 3.504 30 20 CHED COc1ccsc1C=NNc1cccc(Cl)c1 764658758 PPHSFOKMBIOMGJ-UHFFFAOYSA-N 266.753 3.856 30 20 CHED CC#CCCCC(=O)O[C@H]1CCc2ccc(F)cc21 767097365 SRHPBTLERDVQKM-HNNXBMFYSA-N 260.308 3.550 30 20 CHED Cc1cncc(C(=O)/C=C/c2cccc(F)c2F)c1 767365804 HCQPKTQHOYJDGK-AATRIKPKSA-N 259.255 3.564 30 20 CHED C=C(C)CNC(=S)N1CCC[C@]1(C)Cc1ccccc1 767430319 QDPDXLJDUDUVTB-QGZVFWFLSA-N 288.460 3.534 30 20 CHED CC(C)(C#N)CCCCOC(=O)/C=C/c1ccccc1 768374238 QUULSVGTQBHHEQ-ZHACJKMWSA-N 271.360 3.963 30 20 CHED CC1CCC(=NNc2cc(C#N)cc(Cl)n2)CC1 768381499 IDZPRYQNNLCONH-UHFFFAOYSA-N 262.744 3.585 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)OCCCCC(C)(C)C#N 768868813 GFZPRGXAMQBBCJ-XJKSGUPXSA-N 265.397 3.932 30 20 CHED Cc1cc(C=NN2CCCC2=O)c(C)n1C1CCCCC1 769589522 MBQHFCMOHWVZRW-UHFFFAOYSA-N 287.407 3.566 30 20 CHED C=CCOc1ccc(OC(=O)CCCC(F)(F)F)cc1 770739467 BODLYPXSCRDNIJ-UHFFFAOYSA-N 288.265 3.889 30 20 CHED N#Cc1ccc(Sc2snc(Cl)c2C#N)cc1 771130474 SDPKWDMYTRIPPI-UHFFFAOYSA-N 277.761 3.691 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)c(F)c1 772798621 VWCCUOFFLSHRGR-HYXAFXHYSA-N 293.297 3.528 30 20 CHED N#Cc1ccc(/C=C2/Oc3ccc(Cl)cc3C2=O)c(F)c1 772804917 DGWRSDJYBBVTHZ-GIDUJCDVSA-N 299.688 3.967 30 20 CHED S=C(SCC#Cc1cccc(Cl)c1)N1CCCC1 772830671 KZAXFEILSZTDKG-UHFFFAOYSA-N 295.860 3.805 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(C#N)cc2F)c1 772844101 JYUGEAUVFUDTNC-UHFFFAOYSA-N 271.270 3.591 30 20 CHED CCOc1ccc(/C=N/[C@H](C)c2ccncc2CC)c(O)c1 773152051 QAEDIACVUDAHPM-HMHKGCENSA-N 298.386 3.928 30 20 CHED C(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1C1CC1 774595329 BNPPRKNNSCKAKW-JDFRZJQESA-N 254.377 3.676 30 20 CHED CCCCCCCC[C@H](C)CC(=O)NC1CCN(C)CC1 775137830 DEOCVOMVLRZWQH-INIZCTEOSA-N 296.499 3.974 30 20 CHED C[C@H](CCCC(F)(F)F)NCc1cc(C#N)ccc1F 775525247 FJBCOWBKIRYSDS-SNVBAGLBSA-N 288.288 3.908 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CC[C@@H](C)C2)n1 776528277 NEXCNPMAKYUWEM-WOPDTQHZSA-N 276.405 3.879 30 20 CHED COc1ccc([C@@H](C)OC(=O)c2cccc(F)c2C#N)cc1 778617982 MUBSHDCMKAGWJP-LLVKDONJSA-N 299.301 3.624 30 20 CHED C=CCN(CCc1ccco1)C[C@H]1CC1(Cl)Cl 778995518 AZXPCTNGZSTSBZ-LLVKDONJSA-N 274.191 3.504 30 20 CHED Cc1cnc(C(=O)Nc2sc(C)c(C)c2C#N)c(C)c1 779718260 JLUHKDAPSWQUTO-UHFFFAOYSA-N 285.372 3.501 30 20 CHED CC(=NN=c1cc[nH]cc1)c1ccc2c3c(cccc13)CC2 779806891 JBUPEGJSFULORQ-UHFFFAOYSA-N 287.366 3.591 30 20 CHED CC(=NN=c1cc[nH]cc1)c1ccc(Cl)cc1Cl 779811025 BKPWWVVHDGFVPK-UHFFFAOYSA-N 280.158 3.646 30 20 CHED COc1cccc(NN=C(C)c2ccccc2Cl)n1 779818040 WOEBDXJNWUCQLA-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OCC)cc1C 779854890 HFGMZTMOEWWRFE-UHFFFAOYSA-N 273.376 3.916 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCc2c(C)cccc21 779904673 IIQZMSUPRCPMFK-QGZVFWFLSA-N 269.388 3.682 30 20 CHED C#CCCCCC(=O)N1[C@H](C)Cc2cc(OC)ccc2[C@H]1C 782081580 KLIDPXWXBDITGQ-HUUCEWRRSA-N 299.414 3.723 30 20 CHED CC(=NNc1c(F)cccc1Cl)[C@]1(C)CCCO1 782272556 RYRXIUHOTFHEMO-ZDUSSCGKSA-N 270.735 3.836 30 20 CHED N#CCCCNC(=O)N[C@H](c1ccccc1)C1CCCCC1 784184543 GTBAIMLQGOJTQL-QGZVFWFLSA-N 299.418 3.911 30 20 CHED Cc1nc(Cl)ccc1C(=O)OCCCC(C)(C)C#N 784339059 NUZTYXVGQGDCHM-UHFFFAOYSA-N 280.755 3.530 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(C#N)c(C)c1 784615263 VHZBCWZLAAHGBQ-DGCLKSJQSA-N 259.349 3.592 30 20 CHED C=CCCCCCOC(=O)CC1CCC2(CC1)OCCO2 784893707 CABZOEFXAWVMER-UHFFFAOYSA-N 296.407 3.599 30 20 CHED CCc1cccc(CON=Cc2cc(OC)ccc2OC)c1 786738828 NKCKHVFAJQQZQI-UHFFFAOYSA-N 299.370 3.817 30 20 CHED CC(C)(C)CC(=NNc1ccc([N+](=O)[O-])cn1)C1CC1 787152759 AQMBCRZUCQOZCO-UHFFFAOYSA-N 276.340 3.604 30 20 CHED C(=NOC[C@H]1CCOC1)c1cc(-c2ccccc2)cs1 788033509 IRHBCGMHZIYZRN-ZDUSSCGKSA-N 287.384 3.802 30 20 CHED C#CCC1(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)CCCCC1 788222601 GUZOPEQTOHTHEM-PKOBYXMFSA-N 295.426 3.807 30 20 CHED c1cc2[nH]ncc2cc1NN=C1CCC12CCCC2 788726600 WSFGUVSGNNIRCU-UHFFFAOYSA-N 254.337 3.685 30 20 CHED CCc1cccc(C)c1NN=C(C)c1coc(C)n1 789062379 PLYSHGLZZWIUCC-UHFFFAOYSA-N 257.337 3.690 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccc2c(=O)[nH]ccc2c1 789069769 AYVFKGYZXWXKIN-OCCSQVGLSA-N 283.375 3.752 30 20 CHED C#CCCCCCC(=O)Nc1cnn([C@H](C)CC)c1C 791570479 XVERETZKQCFLDX-CYBMUJFWSA-N 275.396 3.685 30 20 CHED C#C[C@H](CCC)NC(=O)C1(Cc2ccccc2Cl)CC1 791738742 XAAZBAWNAMCKLA-CQSZACIVSA-N 289.806 3.581 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccc(-c2ccccc2)c(C)c1 792836058 MHVAUYIEDKPJJY-IBGZPJMESA-N 295.382 3.928 30 20 CHED C=CCCCCC[C@H](C)NC1CCN(C(=O)C2CC2)CC1 793524211 KRQDKUAGGCDPID-HNNXBMFYSA-N 292.467 3.502 30 20 CHED C=CCNN=Cc1cccc(-c2ccccc2C)c1 794993531 YNPLQLAWBKENQC-UHFFFAOYSA-N 250.345 3.772 30 20 CHED Fc1ccc(/C=C\C=NNc2cccc(F)n2)c(F)c1 795009009 WLPHBNCPQGCQTM-QFNGTTPISA-N 277.249 3.610 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNCCC(=O)OC(C)(C)C 797403151 BSRBUGMZFGEWJW-OLZOCXBDSA-N 282.428 3.510 30 20 CHED N#CCC1(CNC(=S)Nc2ccc3ccccc3c2)CC1 797408557 JVJCYZZJAIBOQJ-UHFFFAOYSA-N 295.411 3.820 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cn(C(C)C)nc1C)C2=O 798370505 OQGQTDSYUHXVTH-OQLLNIDSSA-N 280.371 3.903 30 20 CHED CC(C)(C)C#CCOC(=O)/C=C\c1ccc2[nH]ccc2c1 798887530 WCKFAFYOFJUPQC-VURMDHGXSA-N 281.355 3.774 30 20 CHED Cc1ccc(NC(=O)c2ccc(C)c(C#N)c2)c(C)c1 799292509 FFHZNEPKSGORKZ-UHFFFAOYSA-N 264.328 3.736 30 20 CHED Cc1cccc([C@H](C)CNC(=O)c2ccc(C)c(C#N)c2)c1 799341474 VQDTYNHQQYRUIN-OAHLLOKOSA-N 292.382 3.709 30 20 CHED CC1(C)CCC[C@@H]1OC(=O)/C=C/c1ccccc1C#N 799464450 ZKHBAIIZODQLQQ-FEAKQIBJSA-N 269.344 3.693 30 20 CHED COCC[C@@H]1CCCC1=NNc1cc(C)ccc1C 799870123 DFHUDZJDWNAQFZ-AWEZNQCLSA-N 260.381 3.908 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCc3cc(F)ccc32)cc1 802657537 HYGUEPCTBMRRAP-CYBMUJFWSA-N 296.345 3.679 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(C(C)(C)CC)cc1 806498465 KXMCIYABLQTXGX-GFCCVEGCSA-N 258.365 3.517 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1CSCC)C(C)(C)C 807883435 ALHXWSKXKAPSSH-OAHLLOKOSA-N 289.444 3.717 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(C#N)cc1 807991658 QZUJOGOEKJJVGP-UHFFFAOYSA-N 294.314 3.611 30 20 CHED C#C[C@@H](NC(=O)N(CC)Cc1ccc(C)cc1)C(C)(C)C 808314077 MBMDKCQWLXZDRV-MRXNPFEDSA-N 286.419 3.574 30 20 CHED C#Cc1ccc(CNc2ccc(C)cc2OC)cc1 809599460 ZFJFTRYICUERLZ-UHFFFAOYSA-N 251.329 3.597 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](C)c1cc(C)cc(C)c1 810362369 OHFYDNAKQFWHFL-MRXNPFEDSA-N 291.394 3.705 30 20 CHED C[C@@H](OC(=O)[C@H]1CCCCCC(=O)C1)c1ccc(C#N)cc1 811386107 NHMAIZKGQCRZBV-CJNGLKHVSA-N 299.370 3.702 30 20 CHED CC[C@@H](O)CNN=Cc1ccc(-c2cc(C)cc(C)c2)cc1 811654046 LWXWTJOCUIRHLO-LJQANCHMSA-N 296.414 3.665 30 20 CHED CCC(=NOC/C=C/Cl)c1ccc2c(c1)CCO2 811669783 JDYWFNPBRRZOLY-HZPYOLDOSA-N 265.740 3.505 30 20 CHED CC(=NOC1CCC1)c1ccc(N2CCCCC2)cc1 812236914 ZTGQEMKDSDQNOA-UHFFFAOYSA-N 272.392 3.970 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1Br 814685591 KRVKGJLBBWEEGN-UHFFFAOYSA-N 290.107 3.599 30 20 CHED CCC(=NN[C@@H](C)c1ccccc1)c1ccc(F)cn1 814815305 SMVXJCUZMYJSCJ-LBPRGKRZSA-N 271.339 3.686 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1cc(C)ccn1 814868261 MXGBAGKSVJNNLG-UHFFFAOYSA-N 257.312 3.560 30 20 CHED C1CCC2(CCCC2)C(=NNC[C@H]2CCSC2)C1 814936063 XASDJDMWEBXELA-CYBMUJFWSA-N 266.454 3.820 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1occc1C 814946851 ZFVBOOZUQNRUJZ-UHFFFAOYSA-N 268.238 3.841 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccsc1C 815126618 CGHJMPLOZXKJLI-UHFFFAOYSA-N 275.348 3.820 30 20 CHED C#Cc1cccc(N[C@@H]2CCC[C@@H](CCCC(=O)OC)C2)c1 815135565 PNFQVBWBVMLUDG-FUHWJXTLSA-N 299.414 3.982 30 20 CHED C[C@H](NN=C(Cc1ccccc1)C(F)F)c1ccncc1 819817089 VISJLLKAFMRHEQ-LBPRGKRZSA-N 289.329 3.596 30 20 CHED CC(C)C#CC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 829816191 BGOQQUVSWQBQJV-UHFFFAOYSA-N 287.790 3.615 30 20 CHED Cc1cc2ccccc2nc1NN=C1C[C@@H](C)O[C@H]1C 834969380 ARUIODRGEKOHLN-NEPJUHHUSA-N 269.348 3.508 30 20 CHED CC(=NNCc1ccc(C)cc1)C1CCSCC1 835008731 NOYCBKXZHFNGOZ-UHFFFAOYSA-N 262.422 3.604 30 20 CHED C[C@@H]1CC=C(C(=O)[C@H](C#N)c2nc3ccccc3o2)CC1 835075925 AVHRJICILDFIDD-YPMHNXCESA-N 280.327 3.750 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CC12CCSCC2)C(C)(C)C 835302193 JCJHHKOEECWTAO-OLZOCXBDSA-N 280.433 3.501 30 20 CHED Cc1ccc(F)c(CC(=O)OCC(C)(C)CCC#N)c1 835386144 IOGPEXKDWLESTQ-UHFFFAOYSA-N 277.339 3.550 30 20 CHED C=C[C@@H](OC(=O)c1sc(COCC)nc1C)C(C)(C)C 835390063 AQWKWTCVNITGMB-LLVKDONJSA-N 297.420 3.746 30 20 CHED CCCCCCCCC(=O)Nc1nc(CN(C)C)cs1 837263386 HKTNIUHGUMAPJL-UHFFFAOYSA-N 297.468 3.894 30 20 CHED C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(C#N)c1 837901772 GVHNDBNBOZHDLJ-SCLBCKFNSA-N 294.354 3.637 30 20 CHED C#CC[C@H](NC(=O)N(C)C1CC(C)(C)C1)c1ccccc1 838530367 ZBEAHXOIQYTEAJ-INIZCTEOSA-N 284.403 3.581 30 20 CHED CC(C)c1ccoc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839063120 PUMYUCRWAUVPON-RYUDHWBXSA-N 261.321 3.642 30 20 CHED C=CC(C)(C)C(=O)Nc1nc2ccc(C(C)=O)cc2s1 839331738 FNGBSBPIGBVOID-UHFFFAOYSA-N 288.372 3.650 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1N1CC[C@H](C2CCC2)C1 840392074 SLEUPJUJXWZMEV-NSHDSACASA-N 295.308 3.598 30 20 CHED C=CCN(C(=O)NC[C@H](CC)CC(F)(F)F)C(C)C 840433360 SKABDQGOKLTACW-LLVKDONJSA-N 280.334 3.571 30 20 CHED O=C(C#CC1CC1)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 840509670 JYGSQNGOKQNFCE-GOEBONIOSA-N 287.790 3.506 30 20 CHED N#CC1(C(=O)Nc2ccc3ccnc(Cl)c3c2)CCC1 841364308 AWERIHPZHDFXII-UHFFFAOYSA-N 285.734 3.521 30 20 CHED CC(C[C@@H]1CCCC(=O)N1)=NNc1ccc(C(C)C)cc1 841643415 NBSHKHJDGPXODM-INIZCTEOSA-N 287.407 3.657 30 20 CHED C#C[C@@H](OC(=O)c1cc(C)n([C@@H](C)CC)n1)c1ccccc1 842392002 WSTDNYGYWXLLOG-SUMWQHHRSA-N 296.370 3.694 30 20 CHED C/C=C(\CC)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842944359 JNRXXBKMWGAUIO-DKSFEKEHSA-N 260.362 3.553 30 20 CHED C=C[C@H](C)ON=CCN(C(=O)OC(C)(C)C)C(C)(C)C 844624759 JEFRQFGWLOGFMA-LBPRGKRZSA-N 284.400 3.599 30 20 CHED Cc1cc(C#N)ccc1NC[C@@H](C)c1c(C)noc1C 846754705 PJCZCSDZHNNXIX-LLVKDONJSA-N 269.348 3.687 30 20 CHED C/C(=C/c1ccco1)C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 847735529 PWVYLCPXRPOUND-PGJNLMOESA-N 298.367 3.893 30 20 CHED C=CCC(CC=C)C(=O)O[C@H]1C[C@@H](C)C(=O)C(C)(C)C1 847936281 KKPFVOHVGPAUOS-OCCSQVGLSA-N 278.392 3.692 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1c(C3CC3)cnn1C)O2 849245629 AYKHZXYYJGZIDD-IUXPMGMMSA-N 294.354 3.531 30 20 CHED CC[C@H](C)CCNCc1ccc(O[C@@H](C)C#N)cc1 850356492 WHZFFNIRPAELSX-KBPBESRZSA-N 260.381 3.503 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCn1ccc2ccccc21 851213277 FCEVKRAOPCONIR-AWEZNQCLSA-N 298.386 3.903 30 20 CHED C=C[C@H](OC(=O)c1cc(C(C)C)no1)c1ccccc1 851454251 ZDHXKJNGFDOKCF-AWEZNQCLSA-N 271.316 3.882 30 20 CHED CC(C)(C#N)Cc1cccc(-c2ccc(O)nc2F)c1 854188948 DSZSOHLXWJLRLM-UHFFFAOYSA-N 270.307 3.686 30 20 CHED CC(C)C#CC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 854901661 FQLJEEKFOKMZLJ-GOSISDBHSA-N 281.399 3.790 30 20 CHED CC/C(=C/C(=O)N(CC)[C@H](C)C#N)c1cccc(Cl)c1 856075026 HABJBPIKBOZZPD-YGYTWAPGSA-N 290.794 3.894 30 20 CHED CCCCC(=O)N1CCCSC1=Nc1ccccc1 871596251 RAJNWJOEMFPIBP-UHFFFAOYSA-N 276.405 3.830 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1(C)CC(F)(F)C1 873440922 AFCMJYWPFDAPFO-UHFFFAOYSA-N 273.323 3.685 30 20 CHED CCOc1ccc(NC[C@@H](C)CCC#N)c(F)c1 877592814 ULSUBWQXLWNIMF-NSHDSACASA-N 250.317 3.576 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnc(Cl)cc1Cl 891001101 WSYMORRLKPMEAE-LBPRGKRZSA-N 273.163 3.929 30 20 CHED O=C1/C(=C/c2cnn(CC3CCC3)c2)Cc2ccc(F)cc21 899362183 MRYYPEOCIIKNPV-GIDUJCDVSA-N 296.345 3.645 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)c1ccc(Cl)nc1 899364569 AELRRAFBSZRUAB-XQRVVYSFSA-N 287.750 3.553 30 20 CHED C=CCC[C@H](CC)N[C@H](CCC(=O)O)c1ccccc1 901651837 PWKOHOZWQCEOAJ-JKSUJKDBSA-N 275.392 3.927 30 20 CHED C=C(C)C[C@H](NC/C=C\c1cc(C)c(C)cc1C)C(=O)O 901682641 VUIPGVHEGCPFCM-TUYSUELWSA-N 287.403 3.634 30 20 CHED CC(=O)Nc1ccc(OCCCCC2(C#N)CCC2)cc1 902685521 QBMCXJGRGTXFLW-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CC[C@@H](NCCc1csc(C)n1)c1cccc(C#N)c1 902737029 NUWFAXCSUVECNQ-MRXNPFEDSA-N 285.416 3.607 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(F)cc(F)cc1F 903648365 CQPPHZXNGNQBDG-QMMMGPOBSA-N 257.255 3.645 30 20 CHED CCC(C#N)(CC)C(=O)OCCCCC1(C#N)CCC1 909458300 CKXSRLYQCZRCMO-UHFFFAOYSA-N 276.380 3.724 30 20 CHED Oc1cccc(/C=N\C[C@@H]2CCCc3ccccc32)c1O 912961539 BJKSSJLKGPVMSM-YQNUULROSA-N 281.355 3.637 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1ccc[nH]1 916260372 YEJWCJCTOKYFRE-UHFFFAOYSA-N 267.254 3.870 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc(N)cc1 916542388 JGOPRZQTPQVCQR-UHFFFAOYSA-N 253.349 3.722 30 20 CHED CCC(=NNc1cccc([N+](=O)[O-])c1)c1cccs1 916588268 PNEOAGQJLMJORK-UHFFFAOYSA-N 275.333 3.883 30 20 CHED C=CCN(C(=O)N[C@H](C)CCCCCC)C(C)C 918055878 JVPSYGVXOOYPLZ-CQSZACIVSA-N 254.418 3.951 30 20 CHED C=CCN(C(=O)N[C@@H]1CCSc2ccccc21)C(C)C 918056757 RFNRDWVCHIADIH-CQSZACIVSA-N 290.432 3.830 30 20 CHED CCCCCCCCCN(C)C(=O)NCC1CC1 919654076 ADMLBNHMSLSOHV-UHFFFAOYSA-N 254.418 3.788 30 20 CHED C/C=C\C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 920009998 MWFIUYRBBRBBMI-DJWKRKHSSA-N 278.311 3.865 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 920789025 MZDKNIAPALORJH-RDBSUJKOSA-N 295.386 3.956 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1cc(F)ccc1OC 922620761 XOSVJCDFDNDBOE-QGZVFWFLSA-N 298.361 3.947 30 20 CHED CO[C@@H]1Cc2ccc(N[C@H](C)CC(C)(C)C#N)cc2C1 926164324 GKKCTVGZSKUAPQ-MLGOLLRUSA-N 272.392 3.540 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 929532417 RAQFCCIAXIGFFJ-YOEHRIQHSA-N 287.403 3.961 30 20 CHED N#C[C@H]1CCCN(Cc2cc(Cl)cc3cccnc23)C1 932158445 HLOGRDGGLMPHRN-GFCCVEGCSA-N 285.778 3.624 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 934804381 QOIFZOPLUMNEGM-STQMWFEESA-N 291.366 3.506 30 20 CHED N#CCc1cccc(N2CCC(c3cccc(F)c3)CC2)n1 1119070589 OIROLVRYHBGZDA-UHFFFAOYSA-N 295.361 3.671 30 20 CHED CC[C@@H](NCc1cccc(OCC#N)c1)[C@H]1CC1(C)C 1119293086 OCZUOVYZANHZTL-HZPDHXFCSA-N 272.392 3.503 30 20 CHED C[C@@H](CC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1144426004 HSQGYYIACCXKPY-AWEZNQCLSA-N 278.355 3.885 30 20 CHED Cc1ncc(CNc2c(C#N)cnc3c(Cl)cccc23)o1 1186676162 WKCGVZORGRRQJM-UHFFFAOYSA-N 298.733 3.668 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1cc(F)ccc1F 1194691368 IFAVSVNUAQVNCS-UHFFFAOYSA-N 284.309 3.789 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2(C)CCC(C)CC2)c1 1206297629 IZKSERLKLGFNLT-UHFFFAOYSA-N 285.391 3.957 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2sccc2C#N)[C@H](C)C1 1207287115 QBYZRFSLXOBFBC-CKYFFXLPSA-N 277.393 3.566 30 20 CHED CC(C)c1nc(C=NNc2cccc(Cl)n2)cs1 1261223514 YSAASIPDPYUREI-UHFFFAOYSA-N 280.784 3.761 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)C1=CCCC1)c1cccs1 1263523865 ACHQVBFUGLAKHD-RISCZKNCSA-N 275.373 3.992 30 20 CHED CC#CCOC(=O)c1ccc(-c2ccccc2)s1 1318803738 GPXWZBKPZDYLGS-UHFFFAOYSA-N 256.326 3.595 30 20 CHED CC(C)(C)ON=Cc1c(F)cccc1N1CCCC1 1319685507 UFGAXYIBAFMGTJ-UHFFFAOYSA-N 264.344 3.575 30 20 CHED C#CCCCCc1nnc(-c2cc(C)nc3ccccc23)o1 1322126891 ISEMWCLVGWCPJG-UHFFFAOYSA-N 291.354 3.939 30 20 CHED CC(C)[C@H]1CCCN(C(=O)CC#Cc2ccccc2)CC1 1323877360 YIZRTOYOJPGWMH-SFHVURJKSA-N 283.415 3.713 30 20 CHED CCO[C@H]1CC(=NNc2ccc(C)c(Cl)c2)[C@@H]1SC 1325250674 RJQVSGSDXRIHDI-KBPBESRZSA-N 298.839 3.957 30 20 CHED C=C(C)CCC(=O)NCc1ccc(CN(CC)CC)cc1 1338591792 XEAJRNCXEGKHQO-UHFFFAOYSA-N 288.435 3.501 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cc(-c3ccccc3)ns2)C1 1342574090 HLXIQGZYXJJVNE-WCQYABFASA-N 298.367 3.659 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)Cc2cc(Cl)cc(Cl)c2)C1 1347247561 XHOFPNZWOLACSI-TVQRCGJNSA-N 298.169 3.771 30 20 CHED CCC(CC)C(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1347391244 GRBBLLMGFNWIGP-SNVBAGLBSA-N 289.766 3.829 30 20 CHED N#Cc1sccc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 1351146785 UCSPAZMNHLJOOD-FRRDWIJNSA-N 288.416 3.708 30 20 CHED CN(CC(C)(C)C)c1nc(C(C)(C)C)ccc1C#N 1458149810 FHBQLZQFSBOQHG-UHFFFAOYSA-N 259.397 3.733 30 20 CHED C[C@H]1C[C@H](CCNC(=O)c2cccc(C#N)n2)CC(C)(C)C1 1459704961 BVNDNEHFKZVBKS-KBPBESRZSA-N 299.418 3.536 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](Nc1ncc(C#N)cc1F)C2 1472686976 NHCREDFMTWKURO-GHJWDPDVSA-N 273.355 3.719 30 20 CHED N#Cc1ccnc(CSc2ccc(C(F)(F)F)cn2)c1 1472948134 WIPCPFCADLVYPV-UHFFFAOYSA-N 295.289 3.659 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1538757870 VDBAAEVUQZGQOY-XUWVNRHRSA-N 276.424 3.744 30 20 CHED CC(=O)c1cccc(OCc2ccc(C#N)cc2C)c1F 1559461384 OZTRDWXJEIKJRJ-UHFFFAOYSA-N 283.302 3.787 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1Cc2cc(F)c(F)cc2C1 1559945116 HYKRSDHHFVYXFG-NSHDSACASA-N 284.309 3.913 30 20 CHED C=CCCCCSc1nc2ccc(C(=O)O)cc2o1 1588802326 HJHYVUYRFDWVAI-UHFFFAOYSA-N 277.345 3.974 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(Cl)o2)cc1Cl 1602382600 SYZXDFVYZAVTBL-UHFFFAOYSA-N 299.113 3.731 30 20 CHED O=C(O)c1csc(C(=O)/C=C\c2ccc(F)c(F)c2)c1 1602558144 LSDHMKFNMSTPCE-RQOWECAXSA-N 294.278 3.621 30 20 CHED CSc1ccccc1C(=O)/C=C\c1ccoc1C(=O)O 1610387278 PTJNQPUHZUBXAG-SREVYHEPSA-N 288.324 3.596 30 20 CHED CC(C)C[C@@]1(C)CCCN1Cc1ccc(OCC#N)cc1 1618069251 HKOLNHCTZLMKEX-GOSISDBHSA-N 286.419 3.990 30 20 CHED N#CCC1(CN2CCC[C@@H]2/C=C/c2ccccc2)CC1 1620628644 RWQCBDNQQUPCBN-KBOKABMXSA-N 266.388 3.858 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 1633496508 DIUXMWHNOJZNPH-GRYCIOLGSA-N 290.329 3.554 30 20 CHED CC(C)CC[C@@H]1CCCCN1C(=O)NCC1(C#N)CCC1 1636272187 VOSPSJRCYKFCGF-HNNXBMFYSA-N 291.439 3.681 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](C#N)C1 1644351077 YIBZWPCEMAECGQ-SJORKVTESA-N 290.451 3.991 30 20 CHED Cc1ccc(CSc2ccc(C#N)cc2F)cn1 1651826238 WGOWARUJIWQEHW-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CCCOc1ccc(CN2CCC[C@](C)(C#N)C2)c(C)c1 1658582672 XLRKVMIAMMSZPK-GOSISDBHSA-N 286.419 3.910 30 20 CHED N#Cc1cccc(NCc2c(Cl)cncc2Cl)c1 1662048211 PEJNWDLZKTUIIX-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=CCCCCC(C)=NNc1ccc(C(=O)O)cc1OC 1776050358 KMRPVQNZEUAANH-UHFFFAOYSA-N 290.363 3.928 30 20 CHED C=CCN(Cc1ccc(C)cc1)Cc1cc(C)c(C(=O)O)o1 1776179976 UYWPFTWWUCQKGF-UHFFFAOYSA-N 299.370 3.783 30 20 CHED N#Cc1cccc(NC2CCC(C(F)F)CC2)c1 282309767 MWZOERPDPWWENK-UHFFFAOYSA-N 250.292 3.794 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(OCCC)c(OC)c1 102231324 JTIXNVXYRWPEGA-ZDUSSCGKSA-N 291.391 3.627 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 55456048 ZACOYMUOFODTOZ-IRXDYDNUSA-N 279.314 3.549 30 20 CHED C=C(C)CN(CC)C(=O)CCc1cccc(Cl)c1 55207000 DZGDXMOPFCMRTE-UHFFFAOYSA-N 265.784 3.697 30 20 CHED CSc1ccc(COC(=O)c2ccccc2CC#N)cc1 23634968 QVNSGUBZFRZZEQ-UHFFFAOYSA-N 297.379 3.832 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2C#N)C1 102831012 UUJFPDMPKZBMLC-OLZOCXBDSA-N 256.349 3.713 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(F)cc1F 104542901 XGQKHKUSFJMJOZ-UHFFFAOYSA-N 294.345 3.757 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(C)cc1 116863607 NYPIYMIQYWJTSS-QWHCGFSZSA-N 263.406 3.556 30 20 CHED Cc1oc2ccccc2c1/C=C/C(=O)c1cnn(C)c1C 179852817 JCYFOHJTIJGMBP-CMDGGOBGSA-N 280.327 3.679 30 20 CHED C=C(C)COc1cccc(NC(=O)c2occc2C)c1 66463433 WBYNKDXPUAYNQU-UHFFFAOYSA-N 271.316 3.795 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CCCCCc1cccs1 67273544 QHQPACOEJONJCM-AWEZNQCLSA-N 292.448 3.905 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1Cc2ccccc21 119624178 UQFPGCRGGINYKM-MRXNPFEDSA-N 286.419 3.714 30 20 CHED COc1cccc2c1CC[C@H]2Nc1ccc(F)cc1C#N 301614613 AWIYUJJUMMKDTC-MRXNPFEDSA-N 282.318 3.805 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1cc(F)ccc1F 171982757 QUHUMSLTMPJLQA-JTQLQIEISA-N 290.288 3.826 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1ccc(C#N)cc1 174308989 SRXDNJHVKNTKMR-OLZOCXBDSA-N 271.364 3.601 30 20 CHED CC(C)OCc1cccc(N=C(O)[C@H]2CCCC(O)=N2)c1 328779489 GRPWXTLJUQBPQM-CQSZACIVSA-N 290.363 3.709 30 20 CHED N#Cc1ccc(NCC[C@H]2CCCCO2)c(C(F)(F)F)c1 302032090 NQXHTXVMMIMUFO-GFCCVEGCSA-N 298.308 3.948 30 20 CHED N#Cc1nc(NCc2cccc(Cl)c2)ccc1Cl 301156832 RTPYXSQZMDVFPR-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C[C@@H](NCCc1cc(F)cc(F)c1)c1cccc(C#N)c1 60717974 CLPHIBAPUXZULD-GFCCVEGCSA-N 286.325 3.730 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1ccc(OC(F)F)cc1 111682034 JTDMODNDIABBDG-WTKPLQERSA-N 290.265 3.890 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(F)cc1Cl 44765426 ZKMUMQOROOBEIL-UHFFFAOYSA-N 268.719 3.748 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Oc1cccc(C(C)C)c1 116862673 NCFGDVJQAABVPS-KBPBESRZSA-N 275.392 3.658 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCc2ccccc2)C1 116811690 FIEFVMMQTADPCI-CRAIPNDOSA-N 284.403 3.598 30 20 CHED N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 175373524 JMXRWEIMOBJILR-OAHLLOKOSA-N 299.761 3.517 30 20 CHED CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccncc1 174436462 SCDDSCXKIYHYPY-KDOFPFPSSA-N 295.386 3.613 30 20 CHED N#Cc1ccc(N[C@H]2CCCOc3cc(Cl)ccc32)cn1 302045791 YBLWIHXWYMIIOP-HNNXBMFYSA-N 299.761 3.932 30 20 CHED C[C@H](c1ccccc1F)N(C)CCOc1ccccc1C#N 60478190 CAJZQDKVYNAHOG-CQSZACIVSA-N 298.361 3.769 30 20 CHED C=C(C)CCN[C@@H](c1ccc(F)cc1)c1ccccn1 509023230 PLECHJBXFRUBAK-KRWDZBQOSA-N 270.351 3.866 30 20 CHED C=CCOc1cccc(CN[C@@H](C)CC(C)(C)OC)c1 174552371 UEWODDMEMSOSLZ-AWEZNQCLSA-N 277.408 3.545 30 20 CHED CCSCCCNc1cc(C(F)(F)F)cnc1C#N 413275066 AZQOZECSDUTPOC-UHFFFAOYSA-N 289.326 3.527 30 20 CHED COc1ccc2c(c1)[C@@H](Nc1ccc(C#N)cc1)CCO2 37212179 FRJDWRFYYSZPAC-INIZCTEOSA-N 280.327 3.503 30 20 CHED N#Cc1cccc(CNc2cccc(-c3cnco3)c2)c1 37779548 GXTISGIIUKKPOU-UHFFFAOYSA-N 275.311 3.825 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](CC)c1ccc(F)cc1F 125897922 RVVQFPQWNVRATB-ABAIWWIYSA-N 297.345 3.513 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@@H](CC)C(C)C 303437770 BIMYQWQZTTYMLZ-OAHLLOKOSA-N 289.419 3.940 30 20 CHED CC#CCCCC(=O)N1CCCc2cccc(Cl)c21 185610379 RUQAQSPYBSVLNM-UHFFFAOYSA-N 275.779 3.813 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1ccc(F)cc1 188250077 NRAZEZCMALSNKT-QGZVFWFLSA-N 277.383 3.822 30 20 CHED C=C(Br)CN[C@H](C)[C@@H](C)c1ccccc1 125032726 SAQNBYJPQGPYFP-VXGBXAGGSA-N 268.198 3.677 30 20 CHED C=CCN(C)[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc12 121276763 JHLOXAFZHQQIFE-HUUCEWRRSA-N 296.414 3.523 30 20 CHED CCc1oc2ccccc2c1CN(C)CCCC#N 71124889 CPGDEJGNVWVVRH-UHFFFAOYSA-N 256.349 3.731 30 20 CHED C#CCCCCNC(=O)c1coc2cc(C)c(C)cc12 186388682 DVSARDWMCXIOSQ-UHFFFAOYSA-N 269.344 3.583 30 20 CHED COc1ccc([C@H](N[C@H]2CCC[C@H](C#N)C2)C2CC2)cc1 185767397 NUYJGMOMVYJJLF-QANKJYHBSA-N 284.403 3.818 30 20 CHED C#CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1C 315370569 CLZHAZLFJFGPEL-UHFFFAOYSA-N 296.326 3.527 30 20 CHED CC[C@@H](C#N)Nc1ccccc1CCC(F)(F)F 122257481 RAZRYVXHMFRVQB-NSHDSACASA-N 256.271 3.896 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 411053307 DBFGVWRTCSHAGY-KBPBESRZSA-N 284.359 3.526 30 20 CHED C=CCN(C(=O)Cc1cccc(COC)c1)c1ccccc1 186443676 AHIWNTHWWLCLPY-UHFFFAOYSA-N 295.382 3.595 30 20 CHED COc1ccc(C#N)cc1NC1CCC(C(F)F)CC1 442837232 NLRZRARQFTZSRT-UHFFFAOYSA-N 280.318 3.803 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H]1CCC[C@H]1C 189908766 QERIACOYFYTAEK-ZIAGYGMSSA-N 264.413 3.744 30 20 CHED C[C@@H](CC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 76828341 FFOBMSCNFSTSQF-LBPRGKRZSA-N 282.318 3.830 30 20 CHED C[C@H](CCC#N)N1CCC[C@H](Oc2ccccc2Cl)C1 411402140 PAAMGASOVWGTPT-KGLIPLIRSA-N 292.810 3.875 30 20 CHED COc1ccc([C@@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 315843353 WDJCUJKWCRBUIV-LLVKDONJSA-N 297.314 3.648 30 20 CHED Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)c(CN(C)C)c1 185747517 XAFWFUJGCVEVHY-HOCLYGCPSA-N 271.408 3.551 30 20 CHED C=C(C)CN(C)C(=O)c1c(C)c(CC)nc2ccccc12 180428192 GKMHSBIKYCFWBX-UHFFFAOYSA-N 282.387 3.754 30 20 CHED COc1ccsc1C(=O)/C=C/c1c(F)cccc1F 184767652 HQZKVLSIEXNYLT-AATRIKPKSA-N 280.295 3.931 30 20 CHED COc1cc(C#N)ccc1COc1c(C)cc(C#N)cc1C 500867928 ONHVBJNEPSSYRT-UHFFFAOYSA-N 292.338 3.634 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 128448736 GVRPLUBBXNLNIZ-IAQYHMDHSA-N 276.355 3.541 30 20 CHED COc1ccc(C#N)cc1COc1cc(Cl)ccc1C#N 129286312 DDHNFBOIZHYRLW-UHFFFAOYSA-N 298.729 3.671 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@H](C)c1nc(C)cs1 183852015 LMYPSGNHYQGMOG-NWDGAFQWSA-N 295.452 3.599 30 20 CHED C=C(C)CCc1noc(Cc2cccc(OC(C)C)c2)n1 508613465 FENVHRNFEMLWII-UHFFFAOYSA-N 286.375 3.956 30 20 CHED C=CCN(CCCCOC)Cc1ccc(Cl)s1 74328923 XXUAYYLMISDZTO-UHFFFAOYSA-N 273.829 3.816 30 20 CHED CSC[C@H](C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187287506 QUITWMPDFQBEBW-FUJMWEONSA-N 296.480 3.600 30 20 CHED C[C@@](O)(CNc1ccc(C#N)c(Cl)c1)c1ccsc1 77236355 UAASNBZDELDWSJ-CQSZACIVSA-N 292.791 3.593 30 20 CHED CC[C@@H](CC#N)NC(=O)c1sc(C2CCCC2)nc1C 183858878 KOOZMNFFPKIRCL-LBPRGKRZSA-N 291.420 3.531 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H](C)[C@@H](C)CC 504576777 CLCGFGPHSKBKPZ-UONOGXRCSA-N 263.381 3.519 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)Nc1scc(C(C)(C)C)c1C#N 410919837 ANHVCDIEVNOVOH-NXEZZACHSA-N 276.405 3.902 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc(OC)c(Cl)c1 188511550 ZDUXXCDXLRWLLO-HNNXBMFYSA-N 281.783 3.914 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cnc(C)nc1C 414299042 JEZYIWWBLCWZTG-MAUKXSAKSA-N 295.430 3.931 30 20 CHED CC(C)C1CCC(N2CCN([C@@H](C)CCC#N)CC2)CC1 411337702 UMXAKAGLUOUVRZ-AOCRQIFASA-N 291.483 3.511 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCCC(F)(F)C1 410009787 INQZZLZOPHJHTR-NWDGAFQWSA-N 259.340 3.673 30 20 CHED C=CCN(CC=C)C(=O)c1ccc2ccc(Cl)cc2n1 84074612 KVBRCROHUJXCMD-UHFFFAOYSA-N 286.762 3.702 30 20 CHED N#CCC[C@H](NCc1cccnc1Cl)c1ccccc1 130390542 YMKUMGCFBAQMDS-HNNXBMFYSA-N 285.778 3.870 30 20 CHED CCOC(=O)[C@H](CC)SCCC1(C#N)CCCCC1 412995547 CZSIZIGFKRLPPW-ZDUSSCGKSA-N 283.437 3.925 30 20 CHED N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)c(F)c1 507673213 NNAFHCLCLQYBLJ-QGZVFWFLSA-N 294.373 3.762 30 20 CHED Cc1cc(C)cc(Cc2noc(-c3cccc(C#N)c3)n2)c1 320139903 UMKJETGUCPSGRH-UHFFFAOYSA-N 289.338 3.816 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@@H](CCC)C2)c1 135380794 MLXBPJTYIZLKOK-OAHLLOKOSA-N 270.376 3.712 30 20 CHED Cc1nnsc1C/N=C(/O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329109933 JDCCDOAZBGCXPH-YNEHKIRRSA-N 293.436 3.910 30 20 CHED Cc1ccccc1NCc1cn2ccccc2c1C#N 193397393 GIKJZCIVTMTTMN-UHFFFAOYSA-N 261.328 3.732 30 20 CHED C[C@@H](CC(=O)N[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1 194630982 TYCUHAJGGVHTEZ-WDEREUQCSA-N 298.308 3.617 30 20 CHED OC(=Nc1csc(-c2ccccn2)n1)C1[C@H]2CCC[C@H]12 329581960 XFNDIAGCJPHONS-UWVGGRQHSA-N 285.372 3.839 30 20 CHED CC(C)[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 424967603 ROFDASOMLWMHLU-RCCFBDPRSA-N 298.430 3.700 30 20 CHED C=CCNC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 48979461 BTTBAIFSCULGSE-UHFFFAOYSA-N 292.810 3.637 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cn(-c2ccccc2)nc1C 424764018 PYTVAONBQUVSEV-UHFFFAOYSA-N 283.375 3.722 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCc1ccc(OC)cc1 191131867 HNEWGHYUEIFNIF-KBXCAEBGSA-N 289.419 3.735 30 20 CHED CC[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1 424332949 UALJEGLEUAWDKW-YESZJQIVSA-N 254.377 3.788 30 20 CHED C=CCC1(C(=O)NCCc2csc(C(C)C)n2)CCC1 191031587 MKCIAURLQKXODF-UHFFFAOYSA-N 292.448 3.672 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@@H](C)C(F)(F)C1)c1ccccc1 427667556 CRPWURSTANJEGL-KGLIPLIRSA-N 293.357 3.850 30 20 CHED CCCC1(CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 425463473 IHEGJVHQUSQRIU-AWEZNQCLSA-N 299.418 3.841 30 20 CHED Cc1cccc(SCCC(=O)Nc2cccc(C#N)c2)c1 40696092 DRHAMQROPNMOHA-UHFFFAOYSA-N 296.395 3.988 30 20 CHED CCCCOc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 424198444 PHHTZAKASWTKEF-GOEBONIOSA-N 272.392 3.647 30 20 CHED C=CCC1(C(=O)NCc2cccc3cccnc23)CCC1 190485161 RHOXMNMVMSMXPX-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C[C@@H]1CCN(CCOc2ccccc2C#N)[C@@H]2CCCC[C@@H]12 518372043 IHQUHSWLNBHVRL-BPQIPLTHSA-N 298.430 3.838 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(N(C)C)c(C)c1 190416125 AWUQLSOYMYRRCV-MRXNPFEDSA-N 260.381 3.602 30 20 CHED C=Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1 192109680 KBNPOGDRMIDULX-MRXNPFEDSA-N 296.757 3.978 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc(Cl)sc1Cl 339169543 WBYJVNKOFHQGAE-SSDOTTSWSA-N 291.203 3.819 30 20 CHED C[C@@H](c1ccncc1)N(C)CC#Cc1ccc(Cl)cc1 91986300 KFSHZHSPFCDNBO-AWEZNQCLSA-N 284.790 3.780 30 20 CHED COc1ccc(C#N)cc1NCc1cccc(Cl)c1 500997317 DKBSHLBILLAANZ-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CC#CCSc1nc(C(F)(F)F)nc2ccccc12 97599406 IDEAKHIMTWGQOR-UHFFFAOYSA-N 282.290 3.764 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(F)c(C#N)c2)C1 336069887 NLEKEPDMVKQPMY-FZKQIMNGSA-N 295.361 3.675 30 20 CHED C=CCN(CCc1ccc(OC)cc1)Cc1cccs1 96955779 JAHLCVOTWRJGET-UHFFFAOYSA-N 287.428 3.987 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1 334508812 JHYIPXARBCPUCI-QGZVFWFLSA-N 290.366 3.766 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](CC2CC2)C1 515463337 DMYSTVKZBNNSDT-OAHLLOKOSA-N 283.375 3.521 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCc2ccccc21 435674419 QRLYMXBCUVMCRG-SZMVWBNQSA-N 271.404 3.635 30 20 CHED CCN(C(=O)C1CC(F)(F)C1)c1ccc(C#N)c(Cl)c1 334461307 VVBBXNYECZDKLZ-UHFFFAOYSA-N 298.720 3.610 30 20 CHED Cc1cccnc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 430611585 OQWRPOIKENFVLO-NSHDSACASA-N 299.399 3.634 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)Cc1ccc(C)cc1 338794360 LQJINAZQDFRVLE-UHFFFAOYSA-N 296.418 3.676 30 20 CHED CC/N=C(/O)Nc1ccc2oc(CC(C)(C)C)nc2c1 330835154 SETWRBCPYODVDZ-UHFFFAOYSA-N 275.352 3.762 30 20 CHED C[C@H](NC(=O)N(CC1CC1)C1CCC1)c1ccc(C#N)cc1 525974828 ZECVRQPYXATBJC-ZDUSSCGKSA-N 297.402 3.593 30 20 CHED Cc1cc(F)ccc1NC(=O)NCC(C)(C)CCC#N 348068351 FTLOPWYMVOIMQB-UHFFFAOYSA-N 277.343 3.586 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 344342243 ZXYNBVYIIHTCDK-HZPDHXFCSA-N 294.329 3.634 30 20 CHED C=CCC[C@@H](N[C@H]1CCOc2ccc(OC)cc21)C1CC1 344122203 XZPYHMVJPQHCSU-SJORKVTESA-N 287.403 3.853 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 431753529 ODGUQXNUPXMMGD-WQGACYEGSA-N 290.382 3.713 30 20 CHED C#CCCCC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 248824436 JWHGNGFTOGNRMH-NXOAAHMSSA-N 273.420 3.607 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(F)c(C#N)c1 341396970 BIAZPPYXNVYFOP-MLGOLLRUSA-N 288.366 3.738 30 20 CHED Cc1nc(C)c(CSc2ccccc2C#N)s1 439697099 JCAVZJVUYQXSTC-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C=C(C)COc1cccc(NC(=O)C(C#N)(CC)CC)c1 528376183 AFIKQKBTPMXBLN-UHFFFAOYSA-N 286.375 3.910 30 20 CHED N#CC1(F)CCN(Cc2cccc(-c3ccncc3)c2)CC1 348719227 ZMKGEPPULPVUAY-UHFFFAOYSA-N 295.361 3.576 30 20 CHED COC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 609743055 QGSPTMWTLZKJIQ-UHFFFAOYSA-N 287.702 3.791 30 20 CHED Cc1ccc([C@H]2CSCCN2CC2(CC#N)CC2)cc1 602776765 AWAGGZKHCPTSDZ-MRXNPFEDSA-N 286.444 3.779 30 20 CHED CC#CCN1CCCCC[C@@H]1c1ccc(OC)cc1 607724002 FURZAETXPLDDAQ-QGZVFWFLSA-N 257.377 3.636 30 20 CHED C=CC[C@@H](C)NC(=O)N(Cc1ccccc1F)CC(C)C 604900804 LWLXBWKJXMMGKT-CQSZACIVSA-N 292.398 3.958 30 20 CHED CC(C)(CCC#N)CNC(=O)c1csc2ccccc12 345880446 GMUSOLJWCMVYHD-UHFFFAOYSA-N 286.400 3.961 30 20 CHED C=C(C)CCN1CCC(Oc2cncc(Cl)c2)CC1 521457657 WLBBZBKDHMFHBE-UHFFFAOYSA-N 280.799 3.544 30 20 CHED O=C(/C=C\c1ccc(F)cc1C(F)(F)F)c1cnccn1 254976672 KIOKOEHAVWWUTF-RQOWECAXSA-N 296.223 3.531 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1conc1C(C)C 529490640 IHGWJYHFAMXFEM-OAHLLOKOSA-N 298.386 3.715 30 20 CHED CCO[C@@H](C)c1nc(CSCC2(C#N)CC2)cs1 344486870 STVHXMAQHGSEHY-JTQLQIEISA-N 282.434 3.778 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H](C)Cc2ccccc2C)n1 528907202 GSQAOZQMJIUYLA-SWLSCSKDSA-N 298.411 3.815 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCN(C)c1ccccc1 442675041 XMBRWERJFZNHSV-MRXNPFEDSA-N 293.414 3.687 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCCc4ncccc43)CC2)c1 601273886 OFUKZQVVVBWHBB-SFHVURJKSA-N 289.382 3.610 30 20 CHED COCc1ccc(/C=C\C(=O)c2occc2C)cc1 255028240 PMFAKXBFZOYGRB-FPLPWBNLSA-N 256.301 3.631 30 20 CHED CCOc1cc(/C=C\C(=O)C2CCCCC2)ccc1O 255492884 KGKAOPOLWOZGPG-NTMALXAHSA-N 274.360 3.954 30 20 CHED C[C@H](CCC#N)CNc1cccc(OC[C@@H]2CCCO2)c1 602487429 MAMFKJBJUCLQTP-PBHICJAKSA-N 288.391 3.596 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccoc3)no2)cc1 445459160 YBFNCPOWAXZARC-UHFFFAOYSA-N 268.272 3.561 30 20 CHED N#Cc1ccccc1SCCCc1ccncc1 357737695 FMZFWXDNARZYGW-UHFFFAOYSA-N 254.358 3.678 30 20 CHED Cc1cc(C)c(O)c(NC(=O)CC2(C#N)CCCCC2)c1 601844513 DBOHZJNASXUTLK-UHFFFAOYSA-N 286.375 3.812 30 20 CHED N#CC[C@@H](CC(=O)NCc1ccccc1F)c1ccccc1 353511195 BMXNZDWVTUVFPO-HNNXBMFYSA-N 296.345 3.529 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)c(F)c1 604484224 GCNASSUTGNRRBE-SFHVURJKSA-N 296.345 3.740 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(CCC#N)CC(C)(C)C 609191993 WLQYZUNJZAAABK-GJZGRUSLSA-N 278.440 3.991 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)NC[C@H](C#N)CCC#N 539227115 YVUNZAMVJMNZPV-CABCVRRESA-N 285.391 3.568 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1nc2ccccc2s1 539437905 SHODAQURHOGPEV-LLVKDONJSA-N 274.389 3.771 30 20 CHED Cc1ccc(CCCNC(=O)C2(C#N)CCCCC2)c(C)c1 604393760 NPFYXVFUPYOZTR-UHFFFAOYSA-N 298.430 3.826 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H](C)CCSC 358810719 WOMIVSMVNORIBX-ZDUSSCGKSA-N 296.484 3.555 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 265490227 VKJYCEMLDNZXCY-JTQLQIEISA-N 287.190 3.795 30 20 CHED N#Cc1cccc(N2CCC(Cc3ccccc3F)CC2)n1 531525388 OKBMTUBKLALWIO-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C[C@@H]1COc2ccccc2N1CCCCC(C)(C)C#N 444658493 GDUMBCJXCZVVPR-CQSZACIVSA-N 272.392 3.994 30 20 CHED C=C(CC)CN1CCC[C@@H]1CC(=O)c1cccs1 539117662 YEMGMXNEODSGSS-CYBMUJFWSA-N 263.406 3.752 30 20 CHED C=CCC1(C(=O)Nc2ccccc2O)CCCCC1 448761762 JVOFYEDTOCDOJE-UHFFFAOYSA-N 259.349 3.857 30 20 CHED CC(C)c1nsc(Sc2ccc(C#N)cc2F)n1 538937458 WZRNIHJVEHYFEZ-UHFFFAOYSA-N 279.365 3.823 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)c2cc(C#N)oc2C)c1 353402290 XGXDNNLIAXYZJU-LLVKDONJSA-N 298.342 3.889 30 20 CHED C=CCCCCCN(C)[C@@H](C)C(=O)NC1CCCCC1 532586920 ZRTIBNUSLLRTPJ-HNNXBMFYSA-N 280.456 3.502 30 20 CHED CCCCOc1ccccc1N[C@@H]1CC[C@H](C#N)C1 442856613 OIFQJJYRXSGZOS-UONOGXRCSA-N 258.365 3.970 30 20 CHED C=CCC[C@@H](CC)N[C@@H]1CCCN(C2CCCCC2)C1=O 443097099 UOZULHWYZNDUPS-NVXWUHKLSA-N 292.467 3.645 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 611417564 FHNGYTISENCDCM-KBPBESRZSA-N 285.391 3.663 30 20 CHED C[C@H]1C[C@H]1CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 355390581 WYAUNDMMGVBSSW-GWCFXTLKSA-N 297.383 3.666 30 20 CHED C[C@@H]1CCC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 533322769 HQBATLHIHRXORG-RHSMWYFYSA-N 259.368 3.688 30 20 CHED C=CCC[C@@H](N[C@@H]1CCCSC1)c1ccco1 353519936 NYHYWLGXLCCJJU-CHWSQXEVSA-N 251.395 3.772 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@H](C)CC2)CC1 443573155 IXECGLZGIQKXNV-DZGCQCFKSA-N 264.413 3.563 30 20 CHED C=CCn1cccc1C(=O)NC[C@@]1(C)C[C@H]1c1ccccc1 355063083 XCEJBCFZIZFDQV-QFBILLFUSA-N 294.398 3.598 30 20 CHED Cc1cncc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 618802191 CZJZSNQKTFDALC-FZKQIMNGSA-N 277.371 3.600 30 20 CHED Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1F 618741237 CGURSCOGAUVSRP-SFHVURJKSA-N 280.346 3.783 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1nc(C2CCCC2)no1 264578443 BQSHANAVYHLUKJ-LLVKDONJSA-N 283.331 3.739 30 20 CHED C[C@]1(CCc2ccccc2)CCN(C(=O)C2(C#N)CCC2)C1 267646240 ZTNRNUYVZRHHON-SFHVURJKSA-N 296.414 3.552 30 20 CHED CC(C)CCN(CCC#N)Cc1cc2ccccc2[nH]1 619073141 CJKVEEISLOESEU-UHFFFAOYSA-N 269.392 3.930 30 20 CHED CCCN(c1ccc(C#N)nn1)[C@@H](CC)c1ccccc1 611240454 SCGYKOFKEKLOOA-INIZCTEOSA-N 280.375 3.716 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCCCC1(F)F 448910106 JPHOFAYWHZIWJG-ZDUSSCGKSA-N 286.366 3.600 30 20 CHED CCS[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)C(C)C 269216515 KVTFYFZXYIOSEV-CYBMUJFWSA-N 296.823 3.928 30 20 CHED CC(C)[C@@H]1CCCN1C(=O)N[C@H](CCC#N)c1ccccc1 269618277 OXPBAAVJOLJTEF-SJORKVTESA-N 299.418 3.861 30 20 CHED C=CC[C@H]1N(CCO[C@@H]2CCCCO2)CCCC1(C)C 444783971 MGFORZCDLYULLM-HZPDHXFCSA-N 281.440 3.596 30 20 CHED C=CCC1(NC(=O)c2ccc(F)c(F)c2F)CCCC1 619108624 ZDWFFYWPMYBFNQ-UHFFFAOYSA-N 283.293 3.723 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc2ccccc2c1 267472171 VHPWLGUQEJDGOT-UHFFFAOYSA-N 267.332 3.607 30 20 CHED Cc1nc(-c2ccc([C@H](C)N[C@@H](C)C#N)cc2)cs1 358866127 RNKDCDUTSOXMEE-QWRGUYRKSA-N 271.389 3.681 30 20 CHED CCOc1ccc(-c2nc(CON=C3CCC3)co2)cc1 269440532 SJPHJUVYGAGJCM-UHFFFAOYSA-N 286.331 3.797 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccccc1C 539392480 ZFVAOBHLNZPRTO-AWEZNQCLSA-N 260.381 3.539 30 20 CHED C=CCCCC[C@@H](C)NCC[C@H]1C[C@H]2CC[C@H]1O2 459660178 DQTKFRSRVDSVGY-QKPAOTATSA-N 251.414 3.669 30 20 CHED CC(C)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 455783688 ZNJBOBFOIJKCMH-UHFFFAOYSA-N 289.379 3.608 30 20 CHED C=CCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H](C)COC 617573833 MKVBTDKWCRWOIW-AWEZNQCLSA-N 289.419 3.647 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(Cl)ccc1Cl 452777743 OUBGLQKDKLOQJF-UHFFFAOYSA-N 272.175 3.935 30 20 CHED C=C(C)CN(CC)C(=O)CCCOc1ccc(Cl)cc1 614556706 NWYSFOVBLCPGFL-UHFFFAOYSA-N 295.810 3.924 30 20 CHED CC(C)c1ccc(CN(CCC#N)C(C)C)cc1[N+](=O)[O-] 534341991 IOYDBGRULQUALL-UHFFFAOYSA-N 289.379 3.842 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccccc1C(C)(F)F 455771617 MQVQSYHXFFCCQK-SNVBAGLBSA-N 281.306 3.564 30 20 CHED C=CCCCN[C@H](c1cccs1)C1(CO)CCC1 452063909 YEAALRPSTYZPFJ-CQSZACIVSA-N 265.422 3.508 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H]2C(C)C)c1 454586439 TURWVCYIRTWDCG-OAHLLOKOSA-N 274.364 3.514 30 20 CHED N#CCCN(Cc1ccco1)C[C@H]1C[C@@H]1c1ccccc1 361316883 WNHNQSAKXIFJIT-SJLPKXTDSA-N 280.371 3.799 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccccc1NCCC)OCC 276892550 UOWRQIFFTBMGHB-INIZCTEOSA-N 290.407 3.818 30 20 CHED Cc1ccc(CN(C)C(=O)[C@@]2(C#N)CC23CCCC3)cc1C 456970882 YKSOOSUHWRIBMZ-IBGZPJMESA-N 296.414 3.736 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 454900746 LLAJGCJEIJIPMN-ZBFHGGJFSA-N 290.382 3.727 30 20 CHED N#CCCCCNCCCCCOc1ccccc1 275821435 RESWYIMIOSIWDR-UHFFFAOYSA-N 260.381 3.519 30 20 CHED C[C@@H](CN[C@@H]1CCc2cc(C#N)ccc21)C(C)(C)C 619846017 PNQKLWTYSXJYLK-BLLLJJGKSA-N 256.393 3.817 30 20 CHED CCN(C(=O)[C@@H]1CC12CCC2)[C@@H](C)c1ccc(C#N)cc1 610737316 MEMFBQPQLRWMMQ-BBRMVZONSA-N 282.387 3.658 30 20 CHED C[C@H](c1nc2ccccc2o1)N1CCC[C@](C)(C#N)C1 612162776 MKHQTAFMZCPBNP-MLGOLLRUSA-N 269.348 3.514 30 20 CHED CC(=O)c1[nH]c(=N[C@H](CCC#N)c2ccccc2)sc1C 450393389 QXLULBKKPYFLQQ-CQSZACIVSA-N 299.399 3.533 30 20 CHED CC#CCN(C)C(=O)Nc1cc(Cl)ccc1OC(C)C 455492275 YCCLOYNBWFXWDK-UHFFFAOYSA-N 294.782 3.614 30 20 CHED C=CCCc1noc([C@H]2CCN(c3ccccc3)[C@@H]2C)n1 453243251 YWFLIWBOAIMMGB-HIFRSBDPSA-N 283.375 3.571 30 20 CHED N#CC1(C(=O)Nc2nc(C3CCC3)cs2)CCCCC1 277800152 WHCJHXYBANLBKZ-UHFFFAOYSA-N 289.404 3.823 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccccc1Cl 276137300 NXTIGPPOTABTBT-NSHDSACASA-N 266.772 3.619 30 20 CHED C=CC[C@H]1N(C(=O)NCC(C)(C)CC#N)CCCC1(C)C 459246571 VZSJJGFYBFCOKG-CQSZACIVSA-N 291.439 3.703 30 20 CHED COCC[C@H](Nc1c(F)cc(C#N)cc1F)c1ccco1 272588665 ZNRCCLFFRZLGKQ-ZDUSSCGKSA-N 292.285 3.619 30 20 CHED N#CCCCCN1CCC[C@H]1c1ccc(F)c(F)c1 369233142 YKYZCVOJTJRYCS-HNNXBMFYSA-N 264.319 3.796 30 20 CHED C=CCN(Cc1cncc(OCC)c1)Cc1cccs1 621710089 SJMSJUBJNGIILL-UHFFFAOYSA-N 288.416 3.730 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccc(OC(F)(F)F)cc1 276345382 UXSWHAYAXZXZPP-LLVKDONJSA-N 286.297 3.709 30 20 CHED C=C(CNC(=O)c1ccnc(SCC)c1)c1ccccc1 360223240 ZBOXOIKQCJFWGZ-UHFFFAOYSA-N 298.411 3.637 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(COC(C)C)cc1 454573105 NFACJNXTHCUPEG-UHFFFAOYSA-N 276.380 3.699 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCCC[C@H]2C(C)C)c1 455956989 PINSHRIRNAYTPJ-INIZCTEOSA-N 285.391 3.909 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1cccc2c1CCN2C(C)=O 546691723 HMKDUHSHVZHTAF-OLZOCXBDSA-N 272.392 3.608 30 20 CHED C=C(C)[C@H](N[C@@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1 274803255 OYFLSDBQRFLBTH-KFNAQCHYSA-N 281.346 3.739 30 20 CHED CC(C)(C#N)CCCCN1CCO[C@@H](c2ccccc2)C1 278219328 UHNWDHXFQUULRI-QGZVFWFLSA-N 286.419 3.780 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(F)cc1N(C)C 453342285 DCQLJCSDGXZCFD-GFCCVEGCSA-N 250.361 3.509 30 20 CHED C=CCOCc1nc(-c2ccc(OC(C)(C)C)cc2)no1 546987952 VVCTVOMDJHBCRY-UHFFFAOYSA-N 288.347 3.617 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cc(C(C)=O)ccc2C#N)C12CCC2 273257546 XFFDIMWWHASPLA-IAGOWNOFSA-N 298.386 3.520 30 20 CHED C=CCC[C@H](C(=O)NCc1ccc(C)nc1)c1ccccc1 274961907 ABFGBZNHYUGDBO-SFHVURJKSA-N 294.398 3.756 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccc(Cl)s1)C1CC1 271439428 CKAMCPNHWNBTBI-VIFPVBQESA-N 269.797 3.682 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)C2CCC2)s1 460020546 MPXQYAAUZXMWEB-VIFPVBQESA-N 262.378 3.557 30 20 CHED Cc1cccc([C@@H]2CCN(c3nc(C)cc(C)c3C#N)C2)c1 542276499 TVLUHANPVANITB-QGZVFWFLSA-N 291.398 3.872 30 20 CHED C=CC[C@H]1N(C(=O)c2[nH]ccc2C)CCCC1(C)C 281210976 YWOUYOUGUNCSIO-CYBMUJFWSA-N 260.381 3.530 30 20 CHED C[C@@H]1CCc2sc(C(=O)N[C@H](C#N)C(C)(C)C)cc2C1 464713285 SJRHMJUUZQWRIW-QMTHXVAHSA-N 290.432 3.541 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1ccccc1)CC(F)F 281295373 IUJBWKCJMIIZMF-AWEZNQCLSA-N 296.361 3.818 30 20 CHED C=CCn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccccc1 289811293 VRCOBTZEHOVTIS-ZDUSSCGKSA-N 282.391 3.539 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1sccc1C 280715181 DZLYFBYXFXULTQ-RDBSUJKOSA-N 265.422 3.688 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 466377966 IXQUKDVTDZBYHV-NSHDSACASA-N 290.363 3.670 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 464751355 OCMWNOYAICQWGX-RYUDHWBXSA-N 272.348 3.710 30 20 CHED C=CC[C@@H](CC)N[C@H](C)CCc1ccc(OC)c(O)c1 467515501 ZWEJAQJDFFRKJA-UKRRQHHQSA-N 277.408 3.666 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1 285363980 VTIRPWOAVKRLNU-MEBBXXQBSA-N 277.318 3.656 30 20 CHED C=CC[C@@H]1N(C(=O)c2[nH]ccc2C)CCCC1(C)C 281210979 YWOUYOUGUNCSIO-ZDUSSCGKSA-N 260.381 3.530 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 465117283 YHZZQCJXJRFYEX-SMDDNHRTSA-N 265.784 3.770 30 20 CHED CC[C@@H](C)C[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 556886813 PCNJBMGFTBDIKX-CVEARBPZSA-N 299.462 3.941 30 20 CHED C=CCC[C@H](NCCCOC(C)C)c1ccco1 285490027 CBPLBJCJQBXGJQ-AWEZNQCLSA-N 251.370 3.692 30 20 CHED C=CCCCCCCNC(=O)c1ccncc1Cl 287043692 MMRUYOKKHULRDR-UHFFFAOYSA-N 266.772 3.601 30 20 CHED CC[C@H]1CC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 558256660 UYOMXRFRSLFYSO-ZFWWWQNUSA-N 281.321 3.835 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Oc1ccc2ccccc2c1 471141024 VQUYFPJCSSFQQH-AWEZNQCLSA-N 283.371 3.642 30 20 CHED C[C@H]1/C(=C/c2cccc(C(=O)O)c2)C(=O)c2ccccc21 809155665 CSYRWNLZUSPCDM-FFCYNSPCSA-N 278.307 3.768 30 20 CHED C=CCC[C@H](O)CN1C[C@@H](C)C[C@H]1c1ccccc1F 472582160 PPLLBRVUFHQDBR-ZQIUZPCESA-N 277.383 3.536 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 475397143 QKIKSVJPDUVJFE-GOEBONIOSA-N 290.382 3.679 30 20 CHED C=CCCCN1CCN(CCCC=C)[C@H](CCC)C1 470217862 BDYURAIXBQEIEY-QGZVFWFLSA-N 264.457 3.705 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCCC[C@H]1SCC 472780806 ASVMTELKYLHGET-UONOGXRCSA-N 284.469 3.706 30 20 CHED Cc1ccc(C=NNc2nccnc2C2CCC2)c(C)c1 807992542 KPFFGBPLOBQEBO-UHFFFAOYSA-N 280.375 3.807 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)CCCC#N 291653287 DZIFRLTVNHVCKA-GFCCVEGCSA-N 287.388 3.571 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](OC)c1ccccc1F 293426775 ISFUFEMQOFVBQA-WFASDCNBSA-N 293.382 3.620 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1ccccc1[N+](=O)[O-] 805695996 RWFSNWVTNZEJCZ-GFCCVEGCSA-N 290.319 3.673 30 20 CHED Cc1cccc2c1N(C(=O)CC(C)(C)C#N)CC[C@@H]2C 298013273 ZWFJGTFJZWNKMI-LBPRGKRZSA-N 270.376 3.775 30 20 CHED C[C@@H](NCc1cccc(OCC#N)c1)[C@@H]1CC2CCC1CC2 394527498 ZBTMRTRLKOWGFR-QCNKBUPASA-N 298.430 3.893 30 20 CHED C=C(C)CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 803431786 FFXZIYJZGBYEAQ-UHFFFAOYSA-N 287.674 3.510 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc2n1[C@H](C)CCC2 649758559 QBPURXLBPROGNF-CQSZACIVSA-N 289.423 3.599 30 20 CHED C[C@@H]1/C(=C/c2cccc(O)c2)C(=O)c2ccccc21 809155792 FXMXDNFHXRSGOH-OKHBPPCESA-N 250.297 3.776 30 20 CHED CCCCCCCCCCCCOC(=O)[C@H](C)N 111880466 DWHHIPIOLSXJLV-AWEZNQCLSA-N 257.418 3.798 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(F)c1F)C2 811693295 HLWRUXJKZNZCGI-JYRVWZFOSA-N 281.261 3.659 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1cccc(C)c1 819818336 LWADSBFLNOAULE-AWEZNQCLSA-N 267.376 3.855 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C)c1ccccc1F 488874242 DGNYPECUOMKFJW-UONOGXRCSA-N 275.367 3.886 30 20 CHED CC(=NOCC1CC1)c1cc(Cl)c(N)c(Cl)c1 814245073 QIBPTUDJGYOCOQ-UHFFFAOYSA-N 273.163 3.726 30 20 CHED C=CCCCCCCCNC(=O)c1ccc2c(c1)COC2 810768664 UCBTVUZKXDYHTN-UHFFFAOYSA-N 287.403 3.973 30 20 CHED CC(C)c1cnc(C=NNc2ccc(F)cc2)s1 814693232 CSNVDELRGWNPAA-UHFFFAOYSA-N 263.341 3.852 30 20 CHED C[C@@H]1COCC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 568427589 DOHIPEWTEJWBCS-GHMZBOCLSA-N 298.308 3.662 30 20 CHED C=CCC(F)(F)C(=O)OCc1cccc(Cl)c1 815313824 VSNJWOXAFFHSQN-UHFFFAOYSA-N 260.667 3.595 30 20 CHED Cc1cc(C#N)cnc1C(=O)OC[C@@H](C)C1CCCCC1 815336575 FWTWRTNMUAAMBF-CYBMUJFWSA-N 286.375 3.635 30 20 CHED Cc1ccc([C@H]2[C@H](C)CCCN2c2cc(C#N)ncn2)cc1 564518853 CBGGVQXHFOIIKQ-RDTXWAMCSA-N 292.386 3.634 30 20 CHED CCCCC[C@H](CC)C(=O)N(C)CC(C)(C)C#N 817611342 HEWRDDJFXFMHHM-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED COCCC(C)=NNc1ccc(Cl)cc1Cl 814751999 WVOZJXDASZGZSF-UHFFFAOYSA-N 261.152 3.818 30 20 CHED C=CCC(F)(F)C(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 815439249 IJOZJEZOKXAPBI-MNOVXSKESA-N 259.340 3.623 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC(C)(C)C1 811665987 WAZBTCDDGDGQHB-ZDUSSCGKSA-N 260.381 3.610 30 20 CHED Cc1ccc([C@H]2CCN(Cc3ccc(C#N)cn3)C2)c(C)c1 579021658 FDDNICQECILMFO-KRWDZBQOSA-N 291.398 3.560 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccc(F)c([N+](=O)[O-])c2)CS1 814904845 BDLOGMGSEVQBEG-ZDUSSCGKSA-N 297.355 3.663 30 20 CHED C=CCN(Cc1cc(C2CC2)no1)Cc1ccccc1F 659851924 KPWNNIQSDIMSKC-UHFFFAOYSA-N 286.350 3.879 30 20 CHED CCN(Cc1ccc(C#N)cn1)c1cccc(C)c1C 576954209 LDNCMXABLKJCKM-UHFFFAOYSA-N 265.360 3.597 30 20 CHED C[C@H](COC(=O)CC(C)(C)C#N)C1CCCCC1 815238170 NMLVLYOFJRYQPD-GFCCVEGCSA-N 251.370 3.686 30 20 CHED C#C[C@H](C)N(C)CC(c1ccccc1)c1ccccc1 816593366 PEWJHCXVSLBPIJ-INIZCTEOSA-N 263.384 3.772 30 20 CHED C=CCNN=C(C)c1sc(-c2ccccc2F)nc1C 814927755 DTINLZUGDHFTNR-UHFFFAOYSA-N 289.379 3.757 30 20 CHED CC(C)(C#N)N1CCC(=Cc2cccc(F)c2)CC1 575134197 OGOLVCLSAJHNLA-UHFFFAOYSA-N 258.340 3.607 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1CCCc2ccc(OC)cc21 653784486 STLFPNHSMHJFED-GOEBONIOSA-N 287.403 3.586 30 20 CHED C=CCN(CC=C)C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 497893874 HREVPLLTKWYNGA-BRWVUGGUSA-N 293.451 3.664 30 20 CHED C=CCC(C)(C)C(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 660107232 OHFJCLGMKHOGBI-GHMZBOCLSA-N 277.330 3.778 30 20 CHED C=CCCC1(c2nc(-c3cccc(F)c3)no2)CC1 572403824 FRODIQLDFVDVFI-UHFFFAOYSA-N 258.296 3.874 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(O)c(F)c1 728425625 KFIHJABVQBHMLI-UHFFFAOYSA-N 272.323 3.930 30 20 CHED CCCC[C@](C)(F)C(=O)N[C@H](C)c1cccc(C#N)c1 829334524 HHKRVTMMUWWISU-WBMJQRKESA-N 276.355 3.654 30 20 CHED C#Cc1ccc(C(=O)N(CCCCC)CCCCC)nc1 728815224 UGMYWQXNGCFXPG-UHFFFAOYSA-N 286.419 3.886 30 20 CHED Cc1ccccc1OCCON=Cc1ccccc1F 824067463 SZLFMZZSSLPUNS-UHFFFAOYSA-N 273.307 3.564 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1sccc1C#N 497979236 BQQWPIZYZOAHGS-CHWSQXEVSA-N 290.432 3.954 30 20 CHED N#CCC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 580363567 DTHQWVOUHLHHLC-UPHRSURJSA-N 276.330 3.604 30 20 CHED CC#CCN(C)C(=O)c1cccc(Oc2ccccc2)c1 583402801 WDYRWKAKMLZFIJ-UHFFFAOYSA-N 279.339 3.574 30 20 CHED C#CCN(CC1CC(F)(F)C1)[C@H]1CCc2ccccc21 827484537 ZYBJTOKRDDBHPO-INIZCTEOSA-N 275.342 3.654 30 20 CHED C#Cc1cccc(NC(=O)c2ccccc2OCC(C)C)c1 731327282 KRIBQZRSBNKYAC-UHFFFAOYSA-N 293.366 3.955 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc2c(c1)C(=O)OC2 824409421 RTTHIGISQGLYFX-GFCCVEGCSA-N 259.349 3.904 30 20 CHED C=CCN(CCc1ccco1)C(=O)C[C@H](C)C(C)(C)C 490196540 IRMRVVNWFSYDNH-AWEZNQCLSA-N 277.408 3.909 30 20 CHED C[C@@H]1CC(NN=C2CCC(C3CCC3)CC2)C[C@@H](C)O1 901299756 OTBWBFNCPIHXBT-HCYNLOQUSA-N 278.440 3.878 30 20 CHED C=C(CNC(=O)c1ccc(CSC)cc1)c1ccccc1 588172499 RUBMGGZUXZHILI-UHFFFAOYSA-N 297.423 3.993 30 20 CHED CCCc1ccc(C(=O)N(O)Cc2ccc(F)cc2)cc1 901375048 BZRQXYXQLXCWGL-UHFFFAOYSA-N 287.334 3.810 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)C1CC1 580385989 RYRPHWSGYZEMIA-ZDUSSCGKSA-N 288.439 3.747 30 20 CHED C=CCn1c(S[C@H](C)OC)nnc1-c1ccc(C)cc1 901515824 LJLJABJZGBVRPA-GFCCVEGCSA-N 289.404 3.524 30 20 CHED C=CCCCN(CCCO)[C@H]1CCCc2ccccc21 494891051 GTKMBYKTQRQFKI-SFHVURJKSA-N 273.420 3.715 30 20 CHED Cc1csc(Nc2ccc(NC(=O)C#CC3CC3)cc2)n1 837404847 POFZGTYWMGOXMR-UHFFFAOYSA-N 297.383 3.547 30 20 CHED CCC(CC)Oc1ccc(C(=O)OCCCC#N)cc1 835267321 JQKSDLSOMBLDIC-UHFFFAOYSA-N 275.348 3.715 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1ccc2c(c1)CCC2 837721885 KSIGDOYYIUKUDU-PXAZEXFGSA-N 271.360 3.719 30 20 CHED CC[C@H](N[C@H]1CCOC(C)(C)C1)c1cccc(C#N)c1 902888942 YRGMYLYEUJIMFL-HOTGVXAUSA-N 272.392 3.557 30 20 CHED C#C[C@@H](NC(=O)N1CCCC[C@@H]1c1ccccc1)C(C)C 838598773 VKRROKUSPXIYQT-IAGOWNOFSA-N 284.403 3.581 30 20 CHED COc1ccc2cc(CNC(=O)C#CC(C)(C)C)ccc2c1 837323176 ZDZGJONFAPUPNR-UHFFFAOYSA-N 295.382 3.514 30 20 CHED C=CCCC[C@@H](C)N(C)Cc1cc(C(C)(C)C)n[nH]1 581171006 MOQDWHUKHSQKSV-CYBMUJFWSA-N 263.429 3.884 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(Nc2ccccc2)cc1 733892171 YCJYHYUTGAVXFZ-GFCCVEGCSA-N 265.316 3.528 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(C2CC2)n1 839057686 NDHBTQNIECIVIP-JSGCOSHPSA-N 284.359 3.507 30 20 CHED N#CCCCCCC(=O)Nc1cc(Cl)cnc1Cl 839400348 MYZKTGKVUKHBDC-UHFFFAOYSA-N 286.162 3.801 30 20 CHED CC(C)[C@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1F 837524351 OOTYEFMEVFYESC-INIZCTEOSA-N 293.769 3.706 30 20 CHED CSCCON=Cc1sc(C)cc1Br 834976450 ZFOBBHDTMPYIKV-UHFFFAOYSA-N 294.239 3.533 30 20 CHED Cc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)cc1F 731489312 CHYILOZDWUOGMM-SREVYHEPSA-N 272.323 3.808 30 20 CHED CCCCCCCCCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2 836317936 KFJJJMJZXASCMA-ARFHVFGLSA-N 281.440 3.811 30 20 CHED C=C(Cl)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 831534287 OBRJBSRVCDVNNJ-CYBMUJFWSA-N 280.755 3.527 30 20 CHED Brc1cccc(NN=C2CC[C@H]2C2CCC2)n1 835023158 BFNLNKVXYFYNQR-JTQLQIEISA-N 294.196 3.822 30 20 CHED C[C@@H](OC(=O)c1cnc(C2CC2)s1)c1ccc(C#N)cc1 748681138 ZTOISATXZTUZAL-SNVBAGLBSA-N 298.367 3.810 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1ccccc1O 916317029 WMVHPTYZIHLNEQ-UHFFFAOYSA-N 296.157 3.930 30 20 CHED FC(F)Oc1ccc(C=NNc2ncccc2Cl)cc1 917549460 NRPWVEVRGSNQEW-UHFFFAOYSA-N 297.692 3.782 30 20 CHED CC1CCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 835010033 LYRRWVLFMGBCOU-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CCCCCCCOC(=O)[C@@H](C)c1c(C)nn(C)c1C 746932652 WPPMMGRHRJRJFF-LBPRGKRZSA-N 280.412 3.654 30 20 CHED N#CCc1cccc(C(=O)NC2CCC(C3CCC3)CC2)c1 598450669 FNTMDJSFEUFAFZ-UHFFFAOYSA-N 296.414 3.841 30 20 CHED N#C[C@H](c1ccccc1)N1CCC[C@H](CC(F)(F)F)C1 595551421 LRVBWFCAJGOGOE-TZMCWYRMSA-N 282.309 3.916 30 20 CHED CC[C@H](C#N)c1ccc(-c2ccc(OC)nc2)cc1 592984430 BQLOKOCFIMFNSX-GFCCVEGCSA-N 252.317 3.774 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](O)CC(C)(C)C#N 598585273 BLBHFRXHSLQEHO-DOMZBBRYSA-N 294.826 3.634 30 20 CHED CCCCCCCOC(=O)/C=C/c1ccc(OC)c(O)c1 919561399 JRTVTILTYGQGBB-PKNBQFBNSA-N 292.375 3.928 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)c2ccc(C3CC3)cc2)C1 591321604 IPSHZENXMMFWHQ-YNAXMUEKSA-N 282.387 3.681 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)CCCc2cccnc2)c1 840712084 VFYRMAZXOVUEGH-KELUXRKGSA-N 298.386 3.626 30 20 CHED C#CCCCNC(=O)N[C@@H](CCC)CCc1ccccc1 743692303 YGCWTHQMMFPXET-KRWDZBQOSA-N 286.419 3.501 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C3CC3)cc2)C1 597259114 XENHRRILBHCWCU-SCLBCKFNSA-N 282.387 3.766 30 20 CHED C#CCN(CC)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 741913530 NHURJQVANRWGIO-KGLIPLIRSA-N 296.197 3.579 30 20 CHED C=CCOc1ccc(C(=O)OCC2CCCC2)cc1OC 918506161 KZJQBISXRFKSQM-UHFFFAOYSA-N 290.359 3.607 30 20 CHED CCCC(C)(C)C(=O)N[C@@H](C#N)c1ccc(CC)cc1 593157998 RBADVERYIFDCPV-HNNXBMFYSA-N 272.392 3.756 30 20 CHED Cc1cc(C(=O)/C=C\c2ccnn2CC2CC2)cs1 849250546 UKEHAGHHRMDZJX-PLNGDYQASA-N 272.373 3.559 30 20 CHED CC[C@@H](C/N=C\c1cccc(OC)c1O)CC(F)(F)F 840712777 LKIOXDSWDIFUPU-PQQLAPNWSA-N 289.297 3.798 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H]1CCC1CCCCC1 593537791 KOLGUQPBMAZGQU-HZPDHXFCSA-N 276.424 3.888 30 20 CHED CCc1nocc1CON=Cc1ccccc1C(F)(F)F 848507564 QGJBOTXIDRYYGX-UHFFFAOYSA-N 298.264 3.807 30 20 CHED C=C(C)CONC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 846539493 YAAXWKPWRLOPFI-IRXDYDNUSA-N 281.355 3.567 30 20 CHED C[C@@H](COC(=O)c1ccc(C#N)c(Cl)c1)CC(F)F 842437215 AOUQXYZXAVTXMR-MRVPVSSYSA-N 287.693 3.660 30 20 CHED C[C@@H]1CC(=NNc2ncccn2)C[C@H](c2ccccc2)C1 749859114 QEUYGNRUPYFPOD-DZGCQCFKSA-N 280.375 3.848 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(Cl)nc2)c1 748780661 NNAMNPJFJHHHRT-UHFFFAOYSA-N 259.740 3.798 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)CCc2ccccc21 748994293 MAGHKYZUVJSPPV-LCYFTJDESA-N 269.731 3.948 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C1CC1)[C@@H](C)C1CC1 593960273 RWHQHLAXTYEVQV-KBPBESRZSA-N 296.414 3.526 30 20 CHED N#Cc1ccc(CCN(CCC(F)(F)F)CC2CC2)cc1 595337910 DDMJSRAAMBSLQT-UHFFFAOYSA-N 296.336 3.765 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccsc1 749103939 FHLORYQZZXDRNZ-UHFFFAOYSA-N 252.289 3.862 30 20 CHED C[C@H]1CC(=NNc2cccc([N+](=O)[O-])c2)C[C@H](C)C1 747744326 LYBFLXOGDILYBC-GHMZBOCLSA-N 261.325 3.819 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C2CCCC2)cc1 685817724 GIRDKAXEXJSDPP-UHFFFAOYSA-N 257.377 3.992 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1ccc(F)c(F)c1F 926137958 ZCDAOMCBGTYPGP-SNVBAGLBSA-N 284.325 3.564 30 20 CHED N#Cc1cc(NC(=O)/C=C/C2CCCC2)nc2ccccc12 843592832 GHVRIRKMUAMRQX-MDZDMXLPSA-N 291.354 3.791 30 20 CHED COCc1ccc(/C=C2/Cc3c(OC)cccc3C2=O)cc1 759664139 JGACFNQEGWNYFN-GDNBJRDFSA-N 294.350 3.664 30 20 CHED Oc1ccc(/C=N\Cc2cc3ccccc3s2)c(O)c1O 920479830 TTZHURDKHVMQJR-IUXPMGMMSA-N 299.351 3.637 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(-c2ccccc2F)on1 684938446 AQJHVAMAVOGDQE-LLVKDONJSA-N 288.322 3.565 30 20 CHED CC#CCOC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 752579744 MDTIYQNFTYXMIO-ZDUSSCGKSA-N 284.277 3.766 30 20 CHED C=CC[C@H]1CCCCC1=NN[C@@H]1CCOC(C)(C)C1 853336319 VOEDCLCEKDVNMQ-UONOGXRCSA-N 264.413 3.656 30 20 CHED CCC1(C(=O)OCc2cc(F)ccc2C#N)CCCC1 759360042 MRQHOARRLXDQHQ-UHFFFAOYSA-N 275.323 3.711 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2F)cc1 752876636 XZNKDZSNVUPZFO-YVMONPNESA-N 296.257 3.502 30 20 CHED O=C(/C=C\c1cc2cc(F)ccc2o1)c1cc(O)ccc1O 757467690 JWVSZHPGZLZUNM-HYXAFXHYSA-N 298.269 3.879 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(Cc1ccccc1)C1CC1 929728096 SKGASNLRSASWOC-UHFFFAOYSA-N 290.366 3.672 30 20 CHED Fc1cccnc1NN=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853343539 IVLFOUHNYCUGSD-VHSXEESVSA-N 289.276 3.987 30 20 CHED CCC(=NNc1ccccc1C(F)(F)F)c1ccn(C)n1 758068422 GSJGCVBQWSPIQW-UHFFFAOYSA-N 296.296 3.665 30 20 CHED COc1cc(F)cc(NN=C(C)Cc2cccs2)c1 759212707 JMOVZONQFSYGBJ-UHFFFAOYSA-N 278.352 3.926 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 756791692 UHGZFLJQKMFCDI-NWDGAFQWSA-N 278.352 3.696 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 753995917 RQMRTBPBIWVUDG-BJSXHXNNSA-N 299.345 3.871 30 20 CHED C=C[C@@H](CC(=O)OCC(=O)c1ccccc1)c1ccccc1 758908077 NJTOKRNHABVJOZ-HNNXBMFYSA-N 294.350 3.772 30 20 CHED C/C(=C\c1ccc(Cl)cc1)C(=O)N(C1CC1)[C@@H](C)C#N 855582810 OTTOZBYNXRUWOH-ZKQHCESOSA-N 288.778 3.646 30 20 CHED COC(=O)c1ccc(/C=C2\C[C@@H](C)c3ccccc3C2=O)[nH]1 751534791 FIOGKLFHKYOHHU-KPMWUXBGSA-N 295.338 3.575 30 20 CHED Fc1cc(F)cc(C=NNc2ccccc2F)c1 755629386 UWTNWBHUNGOBQS-UHFFFAOYSA-N 250.223 3.550 30 20 CHED N#CCOc1ccc(Cl)cc1CN1C[C@@H]2CCCC[C@@H]21 852220814 YSRAMJVSLAHAFX-WFASDCNBSA-N 290.794 3.617 30 20 CHED CN1CCc2cc(/C=C3\Cc4c(F)cccc4C3=O)ccc21 751534025 GPMJHNBMPQTRHX-GXDHUFHOSA-N 293.341 3.640 30 20 CHED CCCCCCCN[C@H](C(=O)NC1CC1)c1ccccc1 755738639 LJAVIEDHCRECBH-KRWDZBQOSA-N 288.435 3.566 30 20 CHED Clc1ccccc1CNN=Cc1cccs1 864028926 NXWYOGMXHPNUQJ-UHFFFAOYSA-N 250.754 3.525 30 20 CHED C=C1CCN(C(=O)CCc2cccc3ccccc23)CC1 865178382 ZBTYYDAPMAQPMM-UHFFFAOYSA-N 279.383 3.951 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(-c2ccccc2)cc1 766855591 NTWGLOIUMMNEFY-CQSZACIVSA-N 278.355 3.839 30 20 CHED C=CC[C@@H](OC(=O)c1cn(CC)nc1C)c1ccccc1 860678116 VCCGBGIVZHCJPG-MRXNPFEDSA-N 284.359 3.686 30 20 CHED CCn1nc(/C=C\C(=O)c2ccc(C)o2)c2ccccc21 769742165 JCPKVVWTMAWWEI-KTKRTIGZSA-N 280.327 3.854 30 20 CHED CCCCCCCC(=O)N1CCC[C@@]1(CO)CCC 768975614 QSIUDYKYPWYVNG-MRXNPFEDSA-N 269.429 3.501 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C/c1cc(Cl)ccc1O)CO2 763097034 NFZMQOHOYVBXAP-GHIJENOOSA-N 287.746 3.907 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 935307096 FWDYHPPDOSWAPZ-HIFRSBDPSA-N 289.423 3.560 30 20 CHED Cc1ccoc1C(=O)/C=C\c1c(Cl)nc(Cl)n1C 769784246 RNPIDCJVSIDODU-ARJAWSKDSA-N 285.130 3.524 30 20 CHED C(C[C@H]1CCOC1)=NNc1nc(-c2ccccc2)cs1 765568651 FUTLZBFFPHHYLJ-LBPRGKRZSA-N 287.388 3.634 30 20 CHED C[C@@H](CC(=O)OCc1ccccc1C(C)(C)C#N)C1CC1 768013030 MCOBTGQJWJTRFW-ZDUSSCGKSA-N 285.387 3.967 30 20 CHED CC#CCCCCOC(=O)/C=C\c1ccc2[nH]ccc2c1 768126587 VZSXPTMSIAVHRG-NTMALXAHSA-N 281.355 3.918 30 20 CHED N#Cc1ccc(OC(=O)c2cc3occc3s2)c(F)c1 769738671 MZGMLPVRKRVXFI-UHFFFAOYSA-N 287.271 3.724 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccccc2[N+](=O)[O-])C1 768357088 HLMVQHHFGMLKPX-VXGBXAGGSA-N 261.325 3.819 30 20 CHED C#CCCc1noc([C@@H](C)c2ccccc2C(F)(F)F)n1 762018182 XJDAJMCEAIOZRC-JTQLQIEISA-N 294.276 3.806 30 20 CHED CC(=NNCC(F)(F)F)c1cccc(C(F)(F)F)c1 769824448 JZAXFRYUHUFYMJ-UHFFFAOYSA-N 284.203 3.581 30 20 CHED C=C(C)CCOC(=O)c1cc(C)sc1Br 761233012 GNODUQSOZPYCPP-UHFFFAOYSA-N 289.194 3.942 30 20 CHED Cc1cccc(-c2cncc(C(=O)OC3(C#N)CCC3)c2)c1 768797535 BVBBYKYYAKAZKN-UHFFFAOYSA-N 292.338 3.660 30 20 CHED FC(F)(F)C(F)(F)CNN=Cc1sccc1Cl 863181044 GCPNMPQYNFRORS-UHFFFAOYSA-N 292.660 3.523 30 20 CHED C#CCCN(C)CCCCCc1cc(-c2ccccc2)n[nH]1 760832694 FTEQQCGPNLNVGM-UHFFFAOYSA-N 295.430 3.745 30 20 CHED N#Cc1ccc(O)c(NC(=O)c2cccc3ccsc23)c1 768324300 ZOGGTVISYXBQEX-UHFFFAOYSA-N 294.335 3.731 30 20 CHED C=CCCCC(=O)O[C@@H]1CCOc2ccc(CC)cc21 765173661 CPHPEWXUWHVCNR-MRXNPFEDSA-N 274.360 3.972 30 20 CHED C[C@H](CC(=O)OCCCCC(C)(C)C#N)C1CC1 768644429 SUPFRTNIHKRSLF-GFCCVEGCSA-N 251.370 3.686 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)cc1F 774822255 ZAOBNVZCMOITIG-UHFFFAOYSA-N 298.361 3.646 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCOc2c(CC)cccc21 779900535 ZWSOFCUAIVFJIQ-QGZVFWFLSA-N 299.414 3.773 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2cnc[nH]2)cc1 877981615 ZXYFDSQNONIGEZ-UHFFFAOYSA-N 269.348 3.618 30 20 CHED CCCCCCCC(=O)N(C)[C@@H](CC)CSC 773972910 LMCIUHQGRSNKMP-ZDUSSCGKSA-N 259.459 3.947 30 20 CHED CCOc1cc(C=NOC2CCCCC2)ccc1OC 777458545 GBXCEFBOWGROMD-UHFFFAOYSA-N 277.364 3.777 30 20 CHED CSc1ccccc1CC(=O)OCc1ccccc1C#N 777166296 HSGXWUJDNWDSMW-UHFFFAOYSA-N 297.379 3.566 30 20 CHED C#CCCCCCCN[C@@H]1CCO[C@@H](CC(C)C)C1 877143078 ZVMQQQPFBDODFU-SJORKVTESA-N 265.441 3.753 30 20 CHED Cc1cc(C=NNc2ccc3[nH]ncc3c2)c(C)n1C1CC1 779820910 PGJUNAMENGDBIW-UHFFFAOYSA-N 293.374 3.762 30 20 CHED C#CC[C@@H](NCc1ccc(C#N)cc1C)c1ccccc1 776798165 HBYUTKZIGXTCOK-LJQANCHMSA-N 274.367 3.721 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1cnccc1C 773125084 MQAYWENLXOCYAF-OAHLLOKOSA-N 259.397 3.672 30 20 CHED CC(C)[C@H]1C[C@H](NCc2ccc(C#N)cn2)c2ccccc21 774372494 YFOAKLZYXWRNEO-MOPGFXCFSA-N 291.398 3.927 30 20 CHED Cc1cc(C=NNc2nccnc2C(C)C)c(C)n1C1CC1 773085447 IXXLKNNDSJWJDG-UHFFFAOYSA-N 297.406 3.799 30 20 CHED C#CCOc1cc(F)ccc1NCc1ccc(CF)cc1 777541052 LROBJWIPCMVCGA-UHFFFAOYSA-N 287.309 3.919 30 20 CHED CCN(C)c1ccc(CN(CCC#N)CCC(C)C)cc1 773756026 SUJXDKHJRSOBQS-UHFFFAOYSA-N 287.451 3.904 30 20 CHED COc1cc(C#N)ccc1COC(=O)C1=CCCCCC1 775058018 PEFHRGBJGODNOB-UHFFFAOYSA-N 285.343 3.501 30 20 CHED CCCCNN=C(C)C[C@H]1CCCN1C(=O)OC(C)(C)C 771877038 IJBMLJAPLWYLJT-CQSZACIVSA-N 297.443 3.542 30 20 CHED CC(C)=CCCC(C)=NNc1cccc(S(C)(=O)=O)c1 776262605 JULBLECPGAHAGP-UHFFFAOYSA-N 294.420 3.624 30 20 CHED C[C@@H](OC(=O)[C@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1 885668175 TUFFYGQFNMVCJW-CJNGLKHVSA-N 299.370 3.512 30 20 CHED CC(C)C(C)(C)C(=O)OCCCOc1cccc(C#N)c1 784330337 IOKKSYWAJIHKTN-UHFFFAOYSA-N 289.375 3.553 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccccc1Oc1cccc(F)c1 789837699 XKHKMGNONSLTLD-GFCCVEGCSA-N 298.317 3.761 30 20 CHED CC(C)(C)c1cc(CNCCC#N)c(O)c(C(C)(C)C)c1 787300787 WWTNOAWCZJEHNC-UHFFFAOYSA-N 288.435 3.990 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NOCC(F)F 785462770 WPRGOUOGGZXVDT-UHFFFAOYSA-N 267.197 3.629 30 20 CHED Cc1ccccc1C(=NNc1ccnc(F)c1)C1CC1 781130486 WCXWXESEJKPBBC-UHFFFAOYSA-N 269.323 3.755 30 20 CHED CO[C@@H](C(C)=NNCc1ccccc1)c1ccccc1 782166987 QZESERDKCYWLPR-KRWDZBQOSA-N 268.360 3.540 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(CC#N)cc1 890612466 MEIDLSKNINZBQZ-GOSISDBHSA-N 290.366 3.860 30 20 CHED Cc1ccc2[nH]c(C(=O)OCCCC(C)(C)C#N)cc2c1 782303419 YPGIULPIBBVJNZ-UHFFFAOYSA-N 284.359 3.963 30 20 CHED Cc1cccc(OC(=O)CC(C)(C)C#N)c1Br 893961151 OJLQLMCWOHBILF-UHFFFAOYSA-N 296.164 3.603 30 20 CHED CC[C@H]1c2ccccc2CN1c1ccc(C#N)c(C)n1 897354015 HURIEGURNIOWGN-INIZCTEOSA-N 263.344 3.733 30 20 CHED C#C[C@H](OC(=O)c1ccc(C)o1)c1ccc(Cl)cc1F 788154360 VDZTZMQTMYPYGP-ZDUSSCGKSA-N 292.693 3.912 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNCCc1ccccn1 789112141 BUTODJGYOPODSR-UHFFFAOYSA-N 295.430 3.958 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(Br)cs2)no1 791431736 JVILZJRFZKCDKT-NSCUHMNNSA-N 298.161 3.703 30 20 CHED COCC(CC(C)C)=NNc1ncnc(Cl)c1C(C)C 797403864 BKLFBTQJNADOFS-UHFFFAOYSA-N 298.818 3.714 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)COc2cc(F)ccc21 794728459 QKCZJPUCIMQLCN-YRNVUSSQSA-N 272.250 3.624 30 20 CHED C=C1CCC(c2nc([C@@H]3CCOC(C)(C)C3)no2)CC1 896458664 MHGBGCDQYDHHQE-CYBMUJFWSA-N 276.380 3.956 30 20 CHED CCn1ccc(CN(C)c2nc3ccccc3cc2C#N)c1 790780993 NNAUYRQYPQAZFI-UHFFFAOYSA-N 290.370 3.564 30 20 CHED Cc1cc(F)c(F)cc1OC(=O)c1cccc(F)c1C#N 791409551 HXLJRJHINXUBPT-UHFFFAOYSA-N 291.228 3.503 30 20 CHED C#Cc1cccc(N(C(=O)c2occ3c2CCC3)C(C)C)c1 796442333 NDKNSJMFYNNVNG-UHFFFAOYSA-N 293.366 3.805 30 20 CHED N#CCC1(COC(=O)c2ccc(C(F)(F)F)s2)CC1 797080806 LZCGMCFBDCZSHJ-UHFFFAOYSA-N 289.278 3.618 30 20 CHED COc1ccccc1C=NOCCCCC1CCOCC1 799174440 OMBLDZMZBBZTCQ-UHFFFAOYSA-N 291.391 3.643 30 20 CHED Cc1cc(F)c(F)cc1OC(=O)/C=C/c1ccccc1C#N 791411153 ZBRLHQXOMXXVON-VOTSOKGWSA-N 299.276 3.764 30 20 CHED O=C(/C=C\c1ccccc1C(F)(F)F)c1ccnc(O)c1 791430535 CHGHIFZRKQXEQM-WAYWQWQTSA-N 293.244 3.702 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)CCc2ccc(O)cc21 794960847 XPWUXQDDQCETMN-LCYFTJDESA-N 268.287 3.744 30 20 CHED CON(CCCC(C)(C)C#N)C[C@@H]1C[C@H]2CC[C@H]1C2 795201670 NLXRGZJAMZMKLM-KKUMJFAQSA-N 264.413 3.616 30 20 CHED CC1(CNN=Cc2ccccc2OC(F)F)CCCC1 793080897 DLJZUOVAVMNYCO-UHFFFAOYSA-N 282.334 3.792 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](C)CCCc1ccccc1 791202254 YQETXJKMQHDWKL-WBVHZDCISA-N 271.404 3.564 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(C)cc1C)C(C)C 798555401 DVBABKOTCAXYHG-RDJZCZTQSA-N 286.419 3.664 30 20 CHED CN(C)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1 795021896 ZYQBGXGDPMWSLY-UHFFFAOYSA-N 299.761 3.530 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1ccc(C(C)C)cc1 797941684 XPTLBSCDHSPUJP-UHFFFAOYSA-N 269.300 3.802 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)s1 247114337 FEIZSWBPVRVPDU-RLPSOPLKSA-N 272.417 3.534 30 20 CHED CN(CCCc1ccccc1)Cc1ccccc1C#N 46087687 HJSQXHAIMZJYDW-UHFFFAOYSA-N 264.372 3.623 30 20 CHED N#Cc1cc(NCc2cc(F)ccc2F)ccc1F 51635788 SRRCWLOSFHJOAY-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1cc(Oc2ccccc2OC(F)(F)F)ccn1 134991730 ZLILKFGTDPGNQQ-UHFFFAOYSA-N 280.205 3.644 30 20 CHED N#Cc1ccc(CNc2ccccc2OC(F)F)cc1 20096349 FSPRFTVRSVPLES-UHFFFAOYSA-N 274.270 3.772 30 20 CHED Cc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)c(F)c1 1328347713 JZCKJEHWXHBETR-UHFFFAOYSA-N 279.274 3.723 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1ccc(F)cc1 1321237138 JKXFPOJPANINSA-LBPRGKRZSA-N 283.302 3.924 30 20 CHED C[C@@H]1CCCCC[C@H]1NCc1ccc(C#N)c(F)c1 404136219 XIUIKERSTGPRSF-MLGOLLRUSA-N 260.356 3.756 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1c(C#N)cccc1C#N 1320813453 NMJHPOALCDYMHE-FUHWJXTLSA-N 273.339 3.572 30 20 CHED C[C@H](Cc1cccs1)Nc1ccc(C#N)cc1F 110442117 OGBLECQLHACRPL-SNVBAGLBSA-N 260.337 3.802 30 20 CHED C=CCCCCCN(C)Cc1c(C)nc2sccn12 552076237 BKPOGOZAPGVNNV-UHFFFAOYSA-N 277.437 3.882 30 20 CHED Cc1cc([C@H](C)Nc2nc(C#N)ccc2C)c(C)o1 1324891586 ZLZMDRKJQGNCFR-NSHDSACASA-N 255.321 3.645 30 20 CHED C=C(C)CN(C)Cc1csc(Br)c1 67461303 BNVRVWVZWMJFFK-UHFFFAOYSA-N 260.200 3.519 30 20 CHED Cc1c(F)cccc1NC(=O)CC#Cc1ccccc1 1332982156 LGCLFEOBRVGWNW-UHFFFAOYSA-N 267.303 3.514 30 20 CHED C=CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C 734835269 QZXXRKQGDSTSBE-UHFFFAOYSA-N 268.744 3.645 30 20 CHED C#CCCCCN[C@H](CC)c1ccc(OC)c(OC)c1 90398808 PBEWDWXQUIYOFJ-OAHLLOKOSA-N 275.392 3.548 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(c3cccc(CC#N)n3)C2)cc1 1256071119 WBFVYBHYUKEMJI-NVXWUHKLSA-N 291.398 3.839 30 20 CHED CC[C@H](C#N)N(CC)C(=O)/C=C\c1ccc(Cl)s1 1339185212 PKQQZFPJWGOWFV-BJPMOSCESA-N 282.796 3.565 30 20 CHED C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1 94423271 BCYKONGKMRGDTL-IUODEOHRSA-N 272.392 3.555 30 20 CHED N#Cc1ccc(Cl)cc1NCC1(CO)CCCCC1 94432627 YMIWTEDCVVMQOM-UHFFFAOYSA-N 278.783 3.566 30 20 CHED CC(C)(C)ON=Cc1c[nH]nc1-c1cccc(Cl)c1 1253788545 FUMWTWVOILJPHZ-UHFFFAOYSA-N 277.755 3.879 30 20 CHED N#Cc1cccc(N(C(=O)C2(F)CCCC2)C2CCC2)c1 1334260468 PTSHABSFAMFNJO-UHFFFAOYSA-N 286.350 3.726 30 20 CHED C=C(C)CCC(=O)N1CC=C(c2cccc(C)c2)CC1 1335879222 NEYCLCHLLLUHJW-UHFFFAOYSA-N 269.388 3.967 30 20 CHED COc1cc(/C=C2/Cc3ccc(F)cc3C2=O)ccc1F 1335666808 QDELMXQJIVNEOX-SDQBBNPISA-N 286.277 3.796 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc2cc[nH]c12 1347521500 IZLWJOWYCAZBJW-CQSZACIVSA-N 268.360 3.739 30 20 CHED CCCCCC(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1344929310 HYEUOMUAXGGMAI-SNVBAGLBSA-N 289.766 3.973 30 20 CHED C=CCCCCNC(=O)CCCCc1cccc(O)c1 1346580733 SXBINSCOWUVBPB-UHFFFAOYSA-N 275.392 3.578 30 20 CHED C=CCn1cnnc1SC/C=C/c1ccc(Cl)cc1 1343406179 SSYRCNDBVWHJHV-ONEGZZNKSA-N 291.807 3.923 30 20 CHED C=C(CC)C(=O)NCc1cccc(Cl)c1Cl 1350871112 AEVVKAQOEJVACP-UHFFFAOYSA-N 258.148 3.576 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)C1=COCCC1)c1cccs1 1519363014 DPNALOYRFAKAOM-FZMZJTMJSA-N 291.372 3.576 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCC[C@@H](CC)C1 1520422331 KMXITOCVPWBZEC-QWHCGFSZSA-N 294.468 3.515 30 20 CHED N#Cc1cc(F)cc(NC(=O)NCC2CCCCCC2)c1 1467152669 SNVPLQSAZASNRS-UHFFFAOYSA-N 289.354 3.789 30 20 CHED CCCC[C@@H](S[C@@H](C)c1cccc(C#N)c1)C(=O)O 1609966169 FHMDWKAIGXWGGG-SMDDNHRTSA-N 277.389 3.996 30 20 CHED C=Cc1ccc(C(=O)Nc2cc(OC)c(C#N)cc2F)cc1 1534037531 LQRHENKEQYULFQ-UHFFFAOYSA-N 296.301 3.601 30 20 CHED CC(C)CC[C@@H](Nc1cncc(C#N)n1)C(C)(C)C 1611987083 LIUJXUHBKRPXSM-CYBMUJFWSA-N 260.385 3.611 30 20 CHED CCc1ccc2ccccc2c1CNc1cncc(C#N)n1 1472872045 IUTYLLMBOAVBMO-UHFFFAOYSA-N 288.354 3.676 30 20 CHED CC(C)(CNc1ncc(C#N)cc1F)C1CCCC1 1612145764 XARDYJWVBRTJKI-UHFFFAOYSA-N 261.344 3.721 30 20 CHED N#Cc1ncccc1SCc1nc2ccccc2s1 1613782259 NQIMAYQCLPETLC-UHFFFAOYSA-N 283.381 3.855 30 20 CHED C[C@H](C(=O)Nc1cccc(CC#N)c1)c1cccs1 1543578661 HOCHNUPYCUMZMC-NSHDSACASA-N 270.357 3.556 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)c1cccc(C#N)c1 1617777403 CPQGNSYSTNPFTF-GOSISDBHSA-N 292.382 3.699 30 20 CHED N#Cc1ccccc1Oc1ccc(NC(=O)CCF)cc1 1626698275 MHJHUTVBAQFXBA-UHFFFAOYSA-N 284.290 3.649 30 20 CHED O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cccnc1 5128267 FKRKPPCAQGFXIA-VMPITWQZSA-N 277.245 3.997 30 20 CHED CCOc1ccccc1CSc1cccnc1C#N 1651984082 NVYDPPLXBNAVKZ-UHFFFAOYSA-N 270.357 3.644 30 20 CHED C=CCCCCSCc1ccccc1C(=O)O 1588802405 KCUDHBDRIUFNGL-UHFFFAOYSA-N 250.363 3.974 30 20 CHED N#Cc1ccccc1OCc1ccc(-c2ncco2)cc1F 1652480088 SZNQWVCPIOEEOT-UHFFFAOYSA-N 294.285 3.931 30 20 CHED CCCCCCCn1nc(C)c([C@@H](C)C(=O)O)c1C 1595708803 HATWDTQSLYQODS-LLVKDONJSA-N 266.385 3.658 30 20 CHED CCc1ccc(C=NNc2cccc(C(=O)O)c2C)cc1 1776086145 DKHGZDUOBUIMKM-UHFFFAOYSA-N 282.343 3.702 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C(=O)O)c1cccc(C)c1 1776180845 XGXKSEMOCPMSBQ-SFHVURJKSA-N 295.382 3.809 30 20 CHED C[C@@H](C#N)OC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 5365451 SJDDPACXWZJRSM-JQWIXIFHSA-N 291.416 3.968 30 20 CHED C#CCCCCNCc1ccc(OCC(F)(F)F)cc1 150731846 QYXKQDHRGUHYRO-UHFFFAOYSA-N 285.309 3.521 30 20 CHED C[C@@H](CC#N)N(C)CCOc1cc(Cl)cc(Cl)c1 161891210 JZYXQRULKDNMRN-JTQLQIEISA-N 287.190 3.606 30 20 CHED N#Cc1ccc(COc2ccccc2F)c(Cl)c1 162967139 GWCWDVVDEWSIKD-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C#Cc1cccc(NC(=O)c2cc(F)cc3cccnc23)c1 158300007 BSYVUSOJHSRZIZ-UHFFFAOYSA-N 290.297 3.608 30 20 CHED CCCCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 160764656 SOSKJTUYSFHQQM-UHFFFAOYSA-N 285.372 3.810 30 20 CHED CC(C)(C#N)CNC(=O)Nc1cc(Cl)ccc1Cl 167024164 QDMFTPBKBGLMQP-UHFFFAOYSA-N 286.162 3.665 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)c1ncc(C)s1 151744752 CMUWJAJREOVTAU-UHFFFAOYSA-N 278.421 3.571 30 20 CHED C1CCC(CCCON=C2CCC3(CC2)OCCO3)C1 153247499 ZLEZRQBLHIABLJ-UHFFFAOYSA-N 281.396 3.647 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccccc1F 156589963 URBPJJUQFDQCLI-AATRIKPKSA-N 278.229 3.706 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1ccccc1 154448725 ZIYAPSLYFAKTQC-MSOLQXFVSA-N 295.382 3.544 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(OC)c(OC)c1 156740211 CODWNVAUKZGXEK-UHFFFAOYSA-N 291.391 3.522 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C(C)=O)cc1 156749784 SQEQUAQYNAREOH-UHFFFAOYSA-N 273.376 3.708 30 20 CHED CC#CCCSCc1coc(-c2ccccc2)n1 154926108 AMIPHDXDJRMJFV-UHFFFAOYSA-N 257.358 3.988 30 20 CHED CC(C)(C)c1ccc(CNCC2(C#N)CCC2)cc1 258903924 LJTCTVCSUUQHOP-UHFFFAOYSA-N 256.393 3.768 30 20 CHED C=CCCCCCCNCc1ccc2c(c1)ncn2C 808419281 PLQQGPPZUVXCFQ-UHFFFAOYSA-N 271.408 3.799 30 20 CHED C=CCN(CC=C)C(=O)c1cc(Cl)c2ccccc2n1 109595572 AZXVIOORYAFMFN-UHFFFAOYSA-N 286.762 3.702 30 20 CHED CCC[C@H](NCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 122259451 WMOFWTLTSKEOAI-AWEZNQCLSA-N 275.352 3.575 30 20 CHED CC1(C)CC(Nc2ccc(C#N)cn2)CC(C)(C)C1 125660795 VHYXNSXIAMXWHF-UHFFFAOYSA-N 257.381 3.970 30 20 CHED CC(C)OC1CCC(Nc2ccc(C#N)cc2)CC1 130085985 CHMDQUPCWVWDNI-UHFFFAOYSA-N 258.365 3.706 30 20 CHED COc1ccc(Cl)cc1CNCc1ccc(C#N)cc1 37996314 PGQKGHPSVONADU-UHFFFAOYSA-N 286.762 3.510 30 20 CHED CC(C)n1ccc(N[C@@H](C)c2ccc(C#N)cc2)n1 280998775 NUQGOZGJHHJIGO-LBPRGKRZSA-N 254.337 3.509 30 20 CHED N#C[C@@H](NC(=O)c1ccc(Cl)s1)C1CCCCC1 51171942 VPWJNVLCKKGHQW-SNVBAGLBSA-N 282.796 3.604 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)CCCC#N 291115926 KWJQOZMTAVKAHE-CQSZACIVSA-N 258.365 3.508 30 20 CHED CN(Cc1cc(C#N)ccc1F)[C@H]1CCC(C)(C)C1 347323260 DNRFKKCGEMTHGG-AWEZNQCLSA-N 260.356 3.708 30 20 CHED Cc1ccnc(N2CC[C@H](CC(C)(C)C)C2)c1C#N 307780099 UCLZGPUGBBUTMX-CYBMUJFWSA-N 257.381 3.524 30 20 CHED C=C(C)CCN[C@@H]1CCC[C@H]1OCc1ccccc1 510632264 VTFRRHRIRFJIPV-IAGOWNOFSA-N 259.393 3.680 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ncc(C#N)cc1Cl 608886069 QWTDOHPAPMGTMK-VIFPVBQESA-N 277.780 3.711 30 20 CHED C=CCC[C@@H](CO)N[C@@H]1CCSc2ccc(Cl)cc21 320335385 BVVUNUNAZLILAM-GXTWGEPZSA-N 297.851 3.794 30 20 CHED C[C@@H](C(=O)Nc1cccc(CC#N)c1)C1CCCC1 590884532 NPRPOYRNISSDCJ-GFCCVEGCSA-N 256.349 3.517 30 20 CHED CCC(CC)(CC)CNCc1cc(C#N)cs1 391222572 ZIOKEYXXXNONNV-UHFFFAOYSA-N 250.411 3.926 30 20 CHED CC(C)CC1(C(=O)N2CCC[C@H](CC#N)C2)CCCC1 397571091 DNQXJJJADAGJMT-OAHLLOKOSA-N 276.424 3.745 30 20 CHED N#Cc1cccc(OCCOc2ccc(Cl)cc2)c1 11861341 VEPLJWDFCUSKHM-UHFFFAOYSA-N 273.719 3.669 30 20 CHED Cn1cccc1C/N=C(/S)Nc1ccccc1Cl 13544745 LBYLWVJXRNLRAP-UHFFFAOYSA-N 279.796 3.576 30 20 CHED C=CCOc1ccccc1CNCc1ccccc1OC 34991564 WZRUCOMOWWKNNA-UHFFFAOYSA-N 283.371 3.550 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 41904566 DOOVJCKCDGRVFH-KBRIMQKVSA-N 282.387 3.599 30 20 CHED N#CC1(C(=O)Nc2ccc(Cl)cc2F)CCCCC1 44385312 HZQKUZLMFJNTQV-UHFFFAOYSA-N 280.730 3.892 30 20 CHED Cc1ccccc1S(=O)(=O)/N=C(\O)CCC1CCCC1 46927937 KPMAJKKWLYJHIG-UHFFFAOYSA-N 295.404 3.611 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C=C1CCCCC1 49520711 VCPHCWQTYSFTRZ-UHFFFAOYSA-N 254.333 3.696 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1C 49904439 INPZBYLNVFJIHS-MRXNPFEDSA-N 298.773 3.952 30 20 CHED C=C(C)CN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 57601533 SJWXPNDAIXNNPO-CQSZACIVSA-N 259.393 3.872 30 20 CHED CCCC[C@H](CC)C(=O)N(C)c1ccc(C#N)cc1 61954769 VVVDWJUGKDTORD-AWEZNQCLSA-N 258.365 3.737 30 20 CHED N#Cc1c(F)cccc1OCc1cccc(Cl)c1 62658900 WKEWCENLABMTCY-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1ccccc1[C@H]1CCN(c2ccc(Cl)c(C#N)n2)C1 67371001 MOQMSWXSWLLYOE-ZDUSSCGKSA-N 297.789 3.909 30 20 CHED CSCc1cccc(Nc2ccc(C#N)cn2)c1 68767002 RTXDKVHFRRLZBJ-UHFFFAOYSA-N 255.346 3.560 30 20 CHED CN(Cc1ccccc1)c1nc2ccccc2cc1C#N 70217986 MDGYTMLPNNFBBV-UHFFFAOYSA-N 273.339 3.743 30 20 CHED C[C@@H](CC1CCCC1)C(=O)NC1(C#N)CCCCC1 72572242 ZNJCFBAHDQUAHG-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED Cc1ccc(C)c(CC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 76129521 JICGWRCVALEYOQ-OAHLLOKOSA-N 292.382 3.595 30 20 CHED CC1(C)CCCN(c2snc(Cl)c2C#N)CC1 78373419 GNKZUSLYRMLLLU-UHFFFAOYSA-N 269.801 3.685 30 20 CHED C=CCN(C(=O)c1cc(OC)cs1)c1ccccc1 80868139 WXFYDPRTQBQWJI-UHFFFAOYSA-N 273.357 3.590 30 20 CHED N#Cc1csc(-c2nc(CCCc3ccccc3)no2)c1 83980881 DWYPSURARIPHAJ-UHFFFAOYSA-N 295.367 3.845 30 20 CHED CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 98072108 VKXIXUHITNAPFE-ZIAGYGMSSA-N 297.402 3.966 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(F)cc1C 104979792 MWLRYCLYSQMVLE-UHFFFAOYSA-N 250.317 3.564 30 20 CHED C=CC1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 110369740 NDKKPXZZPMPDSO-UHFFFAOYSA-N 298.361 3.721 30 20 CHED C=CC1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 110369941 XLOGHYHTYAPZIN-UHFFFAOYSA-N 296.414 3.915 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)OCc2ccccc2C#N)C1(C)C 111476327 TXQQAFNZWQFPAS-HOTGVXAUSA-N 283.371 3.840 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC2(CCCCC2)CC1 116972047 MHYBTGYWBHXPKZ-CQSZACIVSA-N 264.413 3.707 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 119383381 QEFSROZJVGASCH-MRXNPFEDSA-N 290.382 3.884 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 121569256 UMUGDYQCKNUCMD-ZDUSSCGKSA-N 296.326 3.893 30 20 CHED Cc1nc(SCCCCC#N)n(CC(C)C)c1C 122062636 VTICWQTYNRGULJ-UHFFFAOYSA-N 265.426 3.942 30 20 CHED CC[C@H](C#N)Nc1ccccc1SC[C@@H](C)C#N 122236936 WPNSHCSPQKRUID-NWDGAFQWSA-N 259.378 3.652 30 20 CHED C=CCNC(=O)CS[C@@H](C)c1ccc2ccccc2c1 122249066 LABPNTQTWFSMCK-ZDUSSCGKSA-N 285.412 3.936 30 20 CHED Cc1cc(C(=O)/C=C/c2cccnc2)cc(C)c1F 125386970 LQQRQVFBPYLJPE-AATRIKPKSA-N 255.292 3.734 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C1CCOCC1 126455531 GMUOFUZYFCUVFS-CQSZACIVSA-N 269.429 3.526 30 20 CHED CC(C)(C#N)CCCn1cnc2cc(F)c(F)cc21 126530044 GAICIKCHSWINRD-UHFFFAOYSA-N 263.291 3.644 30 20 CHED C=CCCOc1ccc(-c2noc(C3CC3)n2)cc1 128840692 ULVHAHLYZCZSRY-UHFFFAOYSA-N 256.305 3.569 30 20 CHED C=CCCCCCN(C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 156741089 NFDCIHPLBICUNM-UHFFFAOYSA-N 290.407 3.653 30 20 CHED CCN(Cc1ccc(C#N)cc1Cl)C1CCCC1 162867131 YZYSSVXHFONOHP-UHFFFAOYSA-N 262.784 3.976 30 20 CHED C=CC[C@H](C)N[C@@H](CC)c1ccc(OC)c(OC)c1 163329989 RAJXAYLAOCYNDV-JSGCOSHPSA-N 263.381 3.709 30 20 CHED CC(=O)Nc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1 170985768 DEOVVVOESKXPCP-YBEGLDIGSA-N 291.350 3.776 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)c1ccccn1 172365648 FRUKUEWYNHKIMJ-CQSZACIVSA-N 275.396 3.530 30 20 CHED C=CCCCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 175213966 VMSLMIVCMZOUAC-UHFFFAOYSA-N 288.391 3.966 30 20 CHED N#Cc1cccc(CSCc2nccn2C(F)F)c1 175306189 JVEYMTUPBAUDFZ-UHFFFAOYSA-N 279.315 3.583 30 20 CHED C=CCCCC(=O)N(C)Cc1csc([C@H](C)OCC)n1 175978910 VLGNSEVCCLMQOB-LBPRGKRZSA-N 296.436 3.555 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)c1cc2ccccc2o1 176046921 GFNIBXUQYLAMAX-CYBMUJFWSA-N 271.360 3.961 30 20 CHED C=CCCCC(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 176520673 UDQYIPDHTXZEAI-AWEZNQCLSA-N 294.354 3.724 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1cc(F)ccc1C#N 177256450 ZPAXJHSWYWHMEB-CYBMUJFWSA-N 268.335 3.890 30 20 CHED C=CCC[C@@H](O)CN1CCC(c2ccccc2C)CC1 177501493 YZNYVDKSZUVJHC-QGZVFWFLSA-N 273.420 3.502 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H]2CCc3ccc(F)cc32)n1 178492894 ZCVLIUFLZTVDIA-HNNXBMFYSA-N 299.374 3.884 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)Cc1cccc(F)c1 178562921 BJRHEZNJZZKVDS-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CCc1ccc(OC(=O)c2cccc(CC#N)c2)c(OC)c1 179313828 LSUGFRIWEUSXKI-UHFFFAOYSA-N 295.338 3.543 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1cc(F)cc(F)c1 180462531 ADZRAEUDVTTXLS-NSHDSACASA-N 282.334 3.509 30 20 CHED C[C@@H]1CC(C(=O)Nc2ccc(F)cc2C#N)C[C@@H](C)C1 180975011 KYMKQMMHFOIQJQ-QWRGUYRKSA-N 274.339 3.708 30 20 CHED C=C[C@H](CC(=O)N[C@@H](CC)CSC)c1ccccc1 181199208 HPXWNDMVWVSWKC-HIFRSBDPSA-N 277.433 3.604 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1ccc(SCC)cc1 182129906 PRBZTBGPQRGPNQ-DZGCQCFKSA-N 279.449 3.776 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc(CCC)s1 182581431 SKNHCNUILUSRAZ-LLVKDONJSA-N 266.410 3.570 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cc(C2CCCC2)[nH]n1 184073701 FQTAULSIIPTMFA-LLVKDONJSA-N 261.369 3.608 30 20 CHED CC[C@H](CC#N)NCc1ccc(-c2ccccc2)o1 184083152 AREFPKRQWMLXNB-CQSZACIVSA-N 254.333 3.728 30 20 CHED CCCOc1ccc(CN[C@H](CC)CC#N)cc1OCC 184097738 GMAIBYPJMAXKCD-OAHLLOKOSA-N 290.407 3.656 30 20 CHED N#CCC(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 184700684 VQPPRZPJKFAJAB-UHFFFAOYSA-N 290.794 3.572 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 184903789 QYAUNBBJUATUTL-NWDGAFQWSA-N 293.794 3.630 30 20 CHED C=CCC[C@H](NC(=O)CCCC(C)=O)c1ccccc1 185280797 JQWCJKBHOHUTOF-INIZCTEOSA-N 273.376 3.569 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(OCC(F)(F)F)nc2)C1 185751831 GEBHTFIOGWSIKV-QWRGUYRKSA-N 299.296 3.517 30 20 CHED CCc1cccc(NC(=O)c2cccc(F)c2C#N)c1 186030679 VOKCXGKPDZLRNY-UHFFFAOYSA-N 268.291 3.512 30 20 CHED CC#CCCCC(=O)N(CC)[C@@H](C)Cc1ccsc1 186381759 JVVJEUAQGXQHDH-AWEZNQCLSA-N 277.433 3.721 30 20 CHED C=CCC[C@H](NC[C@H](C)c1nccs1)C1CC1 186745323 PHKYQISCOSWPAJ-AAEUAGOBSA-N 250.411 3.581 30 20 CHED C=CC[C@@H](C(=O)N(C)CC1CCCC1)c1ccccc1 188789164 LNQIYJVQUYUZMM-QGZVFWFLSA-N 271.404 3.995 30 20 CHED C=CCC1(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)CCC1 189140076 PHNGJXSDICWAFO-UHFFFAOYSA-N 299.349 3.696 30 20 CHED CC(C)c1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 189584127 JOHRXXOYOCTKJL-CQSZACIVSA-N 281.403 3.871 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1c1ccccc1Cl 191956191 CBEMAVJUVNEOKJ-OAHLLOKOSA-N 275.779 3.807 30 20 CHED C#CCCCC(=O)N[C@H](CC(C)C)c1ccccc1 192085590 QVVBSRCHYSVJOX-MRXNPFEDSA-N 257.377 3.694 30 20 CHED C#CCCCC(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 192107647 NLPFZACZYHATOT-INIZCTEOSA-N 298.430 3.661 30 20 CHED N#Cc1ccc(C[S@@](=O)C/C=C/c2ccccc2)cc1 192479848 PFLVRQLQNRVMIU-PDGUBNMISA-N 281.380 3.520 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCCc3ccccc32)C1 192591919 YHDIFABYYNBVTN-YSVLISHTSA-N 254.377 3.736 30 20 CHED CS[C@H]1CC[C@@H](Nc2nc3c(cc2C#N)CCCC3)C1 231630225 NOWJZTPYKQJZFL-KGLIPLIRSA-N 287.432 3.528 30 20 CHED C[C@@H]1SCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 235379697 PLGPOGAIQLUACM-GZMMTYOYSA-N 286.322 3.883 30 20 CHED C[C@H]1CCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 235600616 CUHLBUMLZAZFMC-DTWKUNHWSA-N 269.801 3.906 30 20 CHED CCOc1cccc(/C=N\CCCOC2CCCC2)c1O 255192709 KILYNBKVBAKFRO-AQTBWJFISA-N 291.391 3.559 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1ccsc1 255301342 QJDDHZNPIQPHIM-PLNGDYQASA-N 250.269 3.922 30 20 CHED Cc1ccc(C(=O)/C=C\c2scnc2C)cc1C 255384999 RMBCAIHOTSLPFE-SREVYHEPSA-N 257.358 3.964 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 255643997 UITGUPCUOMTWQO-ALCCZGGFSA-N 288.690 3.539 30 20 CHED N#CC1(CNCc2ccc3ccccc3c2)CCC1 258957810 RMQABCYUDFVNOK-UHFFFAOYSA-N 250.345 3.623 30 20 CHED C=C1CCN(C(=O)CC(C)(C)c2ccccc2)CC1 264450611 DMYSSGJDJKRFKS-UHFFFAOYSA-N 257.377 3.533 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1cccc(N2CCCC2)c1 268024407 IVEJZHWONAFNJF-AWEZNQCLSA-N 292.386 3.727 30 20 CHED C=C(C)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273515558 PFUCTCIXJITUSH-CVEARBPZSA-N 263.356 3.554 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@@H]1c1sccc1C 274509105 WYLUDNFEOYLUNK-STQMWFEESA-N 263.406 3.633 30 20 CHED C#CCC1(C(=O)Nc2sc(C)nc2C)CCCCC1 276442639 LMQRCLSUJVWJOA-UHFFFAOYSA-N 276.405 3.672 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCC=C(C)C 280968929 ZYSIYDOXNPXNJR-XHSDSOJGSA-N 251.414 3.692 30 20 CHED CCOc1ccc([N+](=O)[O-])cc1NCCCC(C)(C)C#N 281163608 KTMUMOJFXZPNKZ-UHFFFAOYSA-N 291.351 3.735 30 20 CHED Cc1oc(C(C)C)nc1C(=O)N(CCC#N)CCC(C)C 285752461 WQSFNZQLIWANOF-UHFFFAOYSA-N 291.395 3.508 30 20 CHED C=CCC[C@@H](NCc1cn2ccsc2n1)c1ccco1 286198231 ROCMCLDSPXNLAH-CYBMUJFWSA-N 287.388 3.786 30 20 CHED CCSCC[C@H](C)Nc1nc(Cl)c(C#N)s1 288352359 KIARERHEOREAHA-ZETCQYMHSA-N 275.830 3.612 30 20 CHED C=C(C)CCNc1ccc(C(=O)N2CCCC2)cc1C 288729430 NGLZADZZXWUHOP-UHFFFAOYSA-N 272.392 3.609 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2ccc(F)cc2Cl)no1 290205150 VEMCWOSXTUPPRD-AWEZNQCLSA-N 293.729 3.644 30 20 CHED C=CC[C@H](C(=O)Nc1cc(C2CC2)n(C)n1)c1ccccc1 290477679 GXLSUZMBNKESEY-HNNXBMFYSA-N 295.386 3.596 30 20 CHED N#CCCCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 290981229 QDDJAYUZXALOIQ-LBPRGKRZSA-N 294.807 3.687 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2Cl)[C@H]1c1cccnc1 291850047 MHFPZMVISKXDPI-AWEZNQCLSA-N 298.777 3.589 30 20 CHED CC(C)(C)[C@@H](NC(=O)CCCC#N)c1cccc(F)c1 291969095 SLKAQODKQZTKKV-HNNXBMFYSA-N 276.355 3.723 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](CC)CNc1ccccc1 295919626 ORKFUBBQTGCEDI-AWEZNQCLSA-N 274.408 3.596 30 20 CHED CC#CCN(C)C(=O)Nc1ccccc1N1CCCCCC1 296301204 JLMLXTUBZHHLIY-UHFFFAOYSA-N 299.418 3.554 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1ccsc1 296404193 KMFKKAOZSOKPFT-CFVMTHIKSA-N 265.422 3.770 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCc4cccc(O)c43)CC2)c1 296833134 MPIJKNNWOSBQFT-MRXNPFEDSA-N 290.366 3.530 30 20 CHED Cc1cc(F)cc2c(N3CC[C@@H](C)[C@H]3C)c(C#N)cnc12 301492898 PTMXYDIYVXVPTP-ZYHUDNBSSA-N 283.350 3.789 30 20 CHED C[C@H](CNc1ccc(C#N)nc1)Sc1ccccc1 301510267 AOGUBCIAKJTLEY-GFCCVEGCSA-N 269.373 3.546 30 20 CHED C[C@H](Nc1cccc(C#N)n1)c1ccc(OC(F)F)cc1 301514220 JJMDEGNNXXMQDX-JTQLQIEISA-N 289.285 3.728 30 20 CHED N#Cc1cccc(N(Cc2ccccc2)CC2CCC2)n1 301809404 BBPLGAHUZAUDRM-UHFFFAOYSA-N 277.371 3.760 30 20 CHED COCCC1(CNc2nc(C)ccc2C#N)CCCCC1 302463276 PDAWNZZMXBAZTK-UHFFFAOYSA-N 287.407 3.661 30 20 CHED Cc1nc(NC[C@@H]2CCCCS2)c(Cl)cc1C#N 310816769 BBDPZFRCSFOUHR-NSHDSACASA-N 281.812 3.613 30 20 CHED C=CCCCCN[C@@H](C)c1ccc(OC)c(F)c1 310930087 SYOIPAHVKJRSAM-LBPRGKRZSA-N 251.345 3.841 30 20 CHED C=CCC(C)(C)CNC(=O)c1nc(Cl)ccc1Cl 311157974 LFTJCGNFVLONAI-UHFFFAOYSA-N 287.190 3.721 30 20 CHED CC(C)(CNC(=O)C1(C#N)CCCCC1)C1=CCCC1 312250740 ASTVGSVGKQVTBX-UHFFFAOYSA-N 274.408 3.713 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cccc(CC#N)c1 313428741 CILIBDPCBAUVQP-AWEZNQCLSA-N 258.365 3.763 30 20 CHED CN(CCc1ccccc1)c1cc(C#N)c2ccccc2n1 316308030 DSGSKCBOGXOYQI-UHFFFAOYSA-N 287.366 3.785 30 20 CHED C[C@H]1CCc2nc(N=C(O)CC[C@@H]3CCOC3)sc2C1 329626518 VMFKEQRSADYABC-WDEREUQCSA-N 294.420 3.673 30 20 CHED C[C@H](S[C@H]1CCCN=C1O)/C(O)=N/C1CCCCC1 330168782 BBTQGDIZVMTXFB-JQWIXIFHSA-N 284.425 3.516 30 20 CHED Cc1nc2cccc(/C(O)=N/[C@@H](C)CC(C)C)c2[nH]1 330425369 GCNIGZXWJJUBOC-JTQLQIEISA-N 259.353 3.611 30 20 CHED CC(C)c1ccc(/C(O)=N/CC2(C)CCOCC2)c(O)c1 331250934 XBHNOUIWTJPVLA-UHFFFAOYSA-N 291.391 3.637 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)CCCC2 332718271 NJPAMIMMMLASBA-GOSISDBHSA-N 284.403 3.624 30 20 CHED CC(C)(CNC(=O)[C@]1(C#N)CC12CCCC2)C1=CCCC1 333491471 IZRKFXICXCCHRE-GOSISDBHSA-N 286.419 3.713 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@]1(C#N)CC12CCCC2 333899507 SIWOXERNXUVIOY-QWQRMKEZSA-N 288.435 3.791 30 20 CHED Cc1ccc(OC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1C 334399131 MFMGXZCIUTZIKU-DLBZAZTESA-N 298.430 3.839 30 20 CHED Cc1ccncc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 334523240 PNPFQXKLHPCYLQ-KUHUBIRLSA-N 291.398 3.990 30 20 CHED Cc1cc(Cl)cc(C(=O)N2CCC(CCC#N)CC2)c1 335385171 QNVXHUKLJHTWQP-UHFFFAOYSA-N 290.794 3.804 30 20 CHED CN(Cc1ccccc1Cl)C(=O)c1ccc(C#N)s1 335694683 VVLIHXXQGJWVRK-UHFFFAOYSA-N 290.775 3.545 30 20 CHED Cc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)nc1 336529310 ZGTGJSVZGJUGCU-UHFFFAOYSA-N 289.382 3.551 30 20 CHED C[C@H](c1ccco1)N(C)Cc1ccc(CC#N)cc1 342666644 MRZYTOOKYWUBHG-CYBMUJFWSA-N 254.333 3.539 30 20 CHED C=C(C)CN(CC)C(=O)c1c[nH]cc1-c1ccccc1 343164471 KTZQJLJZDCHEFT-UHFFFAOYSA-N 268.360 3.720 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C)C1 345077732 ZEMDNMQUQRVBCN-GOEBONIOSA-N 257.377 3.637 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@H]1c1ccsc1 345209877 PPTVYIIZOOEMSS-INIZCTEOSA-N 298.411 3.836 30 20 CHED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H](C)C#N 347036366 LWJSFGVMBGXVID-KGLIPLIRSA-N 298.411 3.998 30 20 CHED C=CCC[C@H](N[C@H]1CCCSC1)c1ccco1 353519939 NYHYWLGXLCCJJU-STQMWFEESA-N 251.395 3.772 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccnc(-c2ccccc2)c1 354782856 IIGPQINXIHZVIM-CQSZACIVSA-N 294.358 3.562 30 20 CHED C=CCOc1ccc(C(=O)Nc2nc(CC)cs2)cc1 355098840 FOFLWAQSBGOFEV-UHFFFAOYSA-N 288.372 3.523 30 20 CHED C=CCCC1(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)CC1 356836840 SMYDLHPKIHWGIS-ZDUSSCGKSA-N 295.382 3.840 30 20 CHED Cc1cccc(C)c1C[S@@](=O)Cc1ccc(C#N)cc1 356945378 WUHJRVQKOUYFOT-FQEVSTJZSA-N 283.396 3.624 30 20 CHED CC[C@@H](C#N)Nc1cc(-c2cccnc2)ccc1C 366436672 VGNMIOZVORTSAH-HNNXBMFYSA-N 251.333 3.771 30 20 CHED C=CCC1(C(=O)Nc2nc3c(s2)CSCC3)CCC1 367718511 DELHNOYFRYMRKL-UHFFFAOYSA-N 294.445 3.617 30 20 CHED N#CCC[C@@H](NC(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 370816730 ORULFVQTGUPRKM-YESZJQIVSA-N 297.402 3.758 30 20 CHED C=CCOc1cccc(CN2CCC[C@H]2c2cc(C)on2)c1 371391520 BAPBBNMXVWPCJI-SFHVURJKSA-N 298.386 3.885 30 20 CHED CC(C)(C#N)CCCCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 377784831 PXFASWWIHNJGCP-HOTGVXAUSA-N 290.451 3.740 30 20 CHED C=CC[C@H](CC)NCc1cccc(Br)c1 389930452 ZRANVWIBYIRJID-ZDUSSCGKSA-N 268.198 3.893 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccc(C#N)cc1 391265724 CZQJHQLGLAKEPN-UHFFFAOYSA-N 258.365 3.504 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](C)CC(F)(F)F)n1 396878933 AWPDUYVLOOIMIB-MRVPVSSYSA-N 271.286 3.571 30 20 CHED Cc1cc(CNc2ccc(C#N)cc2)cc(Cl)n1 401921997 OFIKOJNQDUYRBO-UHFFFAOYSA-N 257.724 3.527 30 20 CHED N#Cc1ccc(CN2CCC[C@H]3CCCC[C@H]32)cc1F 403978004 DYYAXQVOLYCHIO-RHSMWYFYSA-N 272.367 3.852 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 409904045 KIXXSSHTPJEZGM-LLVKDONJSA-N 297.320 3.986 30 20 CHED COC1([C@H](C)NCc2ccccc2C(C)(C)C#N)CCC1 412021396 MMCBOHUBPSJKIT-AWEZNQCLSA-N 286.419 3.535 30 20 CHED C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1csnn1 414304416 OSSTVYRJAGKJJL-ABAIWWIYSA-N 298.415 3.528 30 20 CHED C=CCC[C@@H](C(=O)NC[C@@H]1CC12CC2)c1ccccc1 416041447 DKACEUGBOGNGMG-JKSUJKDBSA-N 269.388 3.653 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C1=CCCCC1 416093852 DXDUQMAECGSITC-QGZVFWFLSA-N 280.371 3.552 30 20 CHED CN(C(=O)c1cccc(C#N)c1)[C@H]1CCC[C@@H]1C(C)(C)C 416317590 XBUXXDFGNRIUPG-HOTGVXAUSA-N 284.403 3.845 30 20 CHED C=CCC(C)(C)c1noc(C(C)(C)CC(F)F)n1 420506998 WVURYZAWHAMBLK-UHFFFAOYSA-N 258.312 3.856 30 20 CHED Cc1nc(CSc2ccc(C#N)cc2)sc1C 427530356 IAOTUUUDLHNOPM-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc(OC(F)(F)F)cc1 429778369 AYTXCJKUUQWBCP-NSHDSACASA-N 298.308 3.930 30 20 CHED C=CCC(C)(C)CNC(=O)NCCc1cc2ccccc2[nH]1 432109366 GAUSTHVZKUUKML-UHFFFAOYSA-N 299.418 3.612 30 20 CHED CC(C)(CCC#N)CNc1ccnc2c([N+](=O)[O-])cccc12 432169197 JWQFYLVWYSQSTN-UHFFFAOYSA-N 298.346 3.885 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@@H](C)CCC[C@H]1C 432553130 HKVFFWWMDDPBRX-UONOGXRCSA-N 266.429 3.809 30 20 CHED CC1(C)CCCN(C(=O)CCCC2CCCC2)[C@H]1C#N 434032621 RPGIATXNPVFARY-HNNXBMFYSA-N 276.424 3.888 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCOc2c(F)cccc2C1 434615385 MWCMQUWHLMUHJC-ZDUSSCGKSA-N 296.345 3.653 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1nccc2ccc(F)cc12 435598813 SVRGUQXOQSFNMA-CJNGLKHVSA-N 286.350 3.767 30 20 CHED C=CCC[C@@H](CC)NC[C@@H]1Cc2ccccc2N(C)C1 437107587 PYFOVQBEGBQPGE-DOTOQJQBSA-N 272.436 3.630 30 20 CHED C=C(C)CNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 437773966 MVJXRYAWQUNADY-GXFFZTMASA-N 299.201 3.725 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC[C@H]1CC[C@@H](C)O1 439260944 RHCWPTUEFLIOKU-NVXWUHKLSA-N 293.451 3.929 30 20 CHED CC(C)Cc1ccc([C@@H](NCCC#N)C2CC2)cc1 442984457 SVSNZMHNEQIHHD-QGZVFWFLSA-N 256.393 3.839 30 20 CHED Cc1ccc(CNC(=O)[C@@H](C)C#N)c(Oc2ccccc2)c1 446523522 UNABHWYQUFXQPV-AWEZNQCLSA-N 294.354 3.563 30 20 CHED CN(CCC1CC1)c1c(C#N)cnc2c(F)cc(F)cc12 446877884 PMFAQSOJVPVXPD-UHFFFAOYSA-N 287.313 3.621 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(Br)cc1 448578772 BKDXDQPEPAFLSX-JTQLQIEISA-N 296.208 3.839 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@@H]1C)c1ccc(C(C)(C)C)cc1 448662379 BGBCHDPBHIGYCV-ZJNRKIDTSA-N 284.403 3.711 30 20 CHED CCCn1ccc2cc(NC(=O)[C@]3(C#N)C[C@@H]3C)ccc21 448840337 KBMDKDZFWOFFNZ-SJCJKPOMSA-N 281.359 3.540 30 20 CHED CC1(C#N)CCC(NCCc2c(F)cccc2F)CC1 449090460 NBILJGDCUAJHGP-UHFFFAOYSA-N 278.346 3.569 30 20 CHED CCO[C@H]1C[C@H](NC2CCC(C)(C#N)CC2)C12CCCC2 449176653 QWBYMQZIZUUQDF-YZUHTNEWSA-N 290.451 3.786 30 20 CHED C=C(C)CCN[C@H](CC)Cc1ccc(OC)c(OC)c1 449472201 FFKLRWYRHGIZMU-OAHLLOKOSA-N 277.408 3.581 30 20 CHED C[C@H]1CCN(CC2(C#N)CCC2)[C@H](c2ccco2)C1 450453918 QJBGNPFZGJYQNL-KBPBESRZSA-N 258.365 3.746 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1ccc(OC)c2ccccc12 453377507 XTIBPLWEAUAKKR-CABCVRRESA-N 299.414 3.826 30 20 CHED CC(C)CCCNC(=O)C(C)(C)Cc1ccc(C#N)cc1 454604365 HRGLUIITXFQYHN-UHFFFAOYSA-N 286.419 3.679 30 20 CHED CCC1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 454902087 NXZXPUGIRDLTBM-UHFFFAOYSA-N 298.430 3.776 30 20 CHED C=C(CC)CNC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 455515667 BMDXRFNUTQOKEI-GOEBONIOSA-N 272.392 3.540 30 20 CHED C[C@@H]1CC=C(C(=O)N[C@H](C#N)c2ccccc2Cl)CC1 455647236 LLTNJGBXWMYFPR-IAQYHMDHSA-N 288.778 3.767 30 20 CHED CC(C)CCc1noc([C@H](C)c2cccc(C#N)c2)n1 461798772 CMEJPFIRBZBFHM-GFCCVEGCSA-N 269.348 3.682 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](C)c1cccc(C#N)c1 462124921 HHNYVMOEBFAVHI-OAHLLOKOSA-N 284.403 3.867 30 20 CHED N#Cc1cccc(Cl)c1NCCOc1cccc(F)c1 462382018 UUILLMWKPJJTHR-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@H]1c1cccc(C)c1C 464754653 GZCUXJWYBXTRHN-BBRMVZONSA-N 272.392 3.724 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@H](CCC)C1 466857790 MLXNLIZLRKBEPZ-OAHLLOKOSA-N 287.403 3.904 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cccc(N2CCOCC2)c1 467408475 WUXBWTVMKDTMAH-WBVHZDCISA-N 288.435 3.529 30 20 CHED Cc1ccc(C#N)cc1OCc1cn2cc(Cl)ccc2n1 468762683 AQDLWHPIUGMMEW-UHFFFAOYSA-N 297.745 3.747 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@@H](Cc2ccccc2)C1 468857729 GMXQMEMVIXOZSB-INIZCTEOSA-N 294.373 3.762 30 20 CHED C=CCCCCNC(=O)c1cc(Br)cs1 471698981 YHJJDTZIPNNKBQ-UHFFFAOYSA-N 288.210 3.597 30 20 CHED C[C@H](CNc1ccc(Cl)cc1C#N)C(F)(F)F 475737114 CBLNOYFYEDLHHY-SSDOTTSWSA-N 262.662 3.822 30 20 CHED C=CCOCCCSc1ccc(Br)cn1 475973298 AMWQAJYWEPYWDM-UHFFFAOYSA-N 288.210 3.529 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 478063423 DEQQDIMFKBEMNE-SWLSCSKDSA-N 276.767 3.832 30 20 CHED Cc1cc(CN(C2CC2)[C@H](C)C(C)C)ccc1C#N 486735998 KYDULKZETCNJHT-CQSZACIVSA-N 256.393 3.876 30 20 CHED CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)s1 487342307 YCWKNCBRODUPDS-DGCLKSJQSA-N 276.405 3.708 30 20 CHED CC#CCCCC(=O)Nc1cccc(CC)c1CC 489531203 NYRAPBIRBYXWIK-UHFFFAOYSA-N 257.377 3.944 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(Cl)cc1C 490114109 OATFIRUAMHYHHD-UHFFFAOYSA-N 274.751 3.888 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@@H]1CCCCC(F)(F)C1 490302913 UMTBSVYDWMTVSI-OLZOCXBDSA-N 288.382 3.856 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2cc(C)ccc21 494410936 MFYZZMQDGYMEOE-NVXWUHKLSA-N 284.403 3.732 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1sccc1C#N 497979239 BQQWPIZYZOAHGS-STQMWFEESA-N 290.432 3.954 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 503327699 DUMBDHYPOACFCE-QWHCGFSZSA-N 288.391 3.966 30 20 CHED CC(C)(C)c1ccc(C2(C(=O)NCC#N)CCCCC2)cc1 503651114 SWZKASOFJNPROT-UHFFFAOYSA-N 298.430 3.826 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1C 509433856 YYBTWEUVWUBSQM-DYVFJYSZSA-N 284.403 3.908 30 20 CHED C=CCN(Cc1ccccc1F)Cc1occc1C 511537328 NJSXGMZSQZJDLK-UHFFFAOYSA-N 259.324 3.915 30 20 CHED C=CC1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 517670277 YHAYCXAXTRFIQC-UHFFFAOYSA-N 299.443 3.973 30 20 CHED C=CCCCCCN(C)Cc1ccc(F)cc1C#N 524610357 YLGKQGXRHHSTNX-UHFFFAOYSA-N 260.356 3.876 30 20 CHED CN(C)[C@@H](CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 530857682 ZNHVFYJXZGYTNC-KRWDZBQOSA-N 299.805 3.926 30 20 CHED C=C(C)[C@H](CC(=O)NC[C@@H](C)c1cccc(C)c1)OCC 533707927 MEISSVLLIQRLIQ-WBVHZDCISA-N 289.419 3.586 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H]1C(C)C)c1ccccc1 536156849 DLDPZRXPNPDPKL-NVXWUHKLSA-N 271.404 3.993 30 20 CHED C=C(C)CN[C@H](COc1ccccc1)c1ccccc1 537116699 RARDTFFTIXKEIE-GOSISDBHSA-N 267.372 3.972 30 20 CHED C[C@H](NCCSCc1ccccc1C#N)C1CCCC1 537972896 IEFPTKGVDOBHIP-AWEZNQCLSA-N 288.460 3.960 30 20 CHED C[C@H]1C[C@@H](C)CN(C[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)C1 538396966 KIMYYBLZLGATJV-TWMKSMIVSA-N 299.462 3.575 30 20 CHED COC(=O)[C@H](CC(C)(C)C)Sc1ccc(C#N)cc1F 543861846 DWHQGBNDRVKPNB-ZDUSSCGKSA-N 295.379 3.767 30 20 CHED C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@H]2CCCC[C@H]12 543907481 QKPUNAQQQMBSRZ-JLZZUVOBSA-N 272.367 3.708 30 20 CHED CSc1ccc([C@@H](C)NC(=O)C2(C#N)CC(C)C2)cc1 545286428 KQYGSBAQVYIFPM-BWBHSNQOSA-N 288.416 3.526 30 20 CHED C=CCCCc1nc(-c2ccc3c(n2)CCCC3)no1 547180705 ZJGAGKMJSSZVPO-UHFFFAOYSA-N 269.348 3.519 30 20 CHED C[C@@H]1CC(CCN[C@H](C)c2ccc(C#N)cc2)C[C@@H](C)O1 558975564 WGHRXHRDLVPGBR-RBSFLKMASA-N 286.419 3.803 30 20 CHED C=CCC[C@@H](CC)N[C@H](C)c1ccc2n[nH]cc2c1 566314911 DCBUOIHBFWVGSM-IUODEOHRSA-N 257.381 3.958 30 20 CHED CC1(CNC2CCC(Oc3ccccc3C#N)CC2)CC1 567441612 CQWHZUFCKIUYTD-UHFFFAOYSA-N 284.403 3.638 30 20 CHED Cc1ccc2nc(SCC(C)(C)CC#N)[nH]c2c1 569746123 YXQCMQKYBSIADJ-UHFFFAOYSA-N 259.378 3.903 30 20 CHED CCCCCC(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 575852495 MKMWACFJLUMGHB-INIZCTEOSA-N 272.392 3.852 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)c1ccccc1Cl)OCC 577900282 LSMQMERLCPVTDS-WFASDCNBSA-N 295.810 3.889 30 20 CHED N#Cc1ccc(CSc2ccccc2Cl)nc1 579340306 JVFLNHBIVSVHQK-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC[C@@H](N=c1cc(C)[nH]c(C#N)c1)c1cc(F)ccc1F 581828939 XVJNDGLTUXSNIH-MRXNPFEDSA-N 287.313 3.525 30 20 CHED C=C(C)COc1cccc(NC(=O)NCC2CCCC2)c1 589652466 NWGWATMQLRULST-UHFFFAOYSA-N 288.391 3.953 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Sc2ccccc2Cl)CC1 591092360 FSTHZYYAPYBYLC-GFCCVEGCSA-N 295.835 3.999 30 20 CHED COc1ccccc1[C@H]1CCN([C@H](C#N)c2ccccc2)C1 595327013 BSJBQKSXALYPAC-FUHWJXTLSA-N 292.382 3.749 30 20 CHED CCN(Cc1ccccc1OCc1ccccc1)[C@@H](C)C#N 595817996 MRLPNWSSHHJGOM-INIZCTEOSA-N 294.398 4.000 30 20 CHED Cc1cc(NCC2CCC(C#N)CC2)c([N+](=O)[O-])s1 596223501 REZRZPKPNDPVKT-UHFFFAOYSA-N 279.365 3.707 30 20 CHED N#CC1(CC(=O)Nc2ccc(F)c(F)c2)CCCCC1 596627288 XQALSOPJMLWBAY-UHFFFAOYSA-N 278.302 3.767 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C 596842654 OYIVPRYKRXRPMY-UHFFFAOYSA-N 291.351 3.770 30 20 CHED CCCc1cnc(NC(=O)CC2(C#N)CCCCC2)s1 597479936 PGJUUWOJJPNPGO-UHFFFAOYSA-N 291.420 3.898 30 20 CHED Cc1cc2occ(C(=O)N3CCC[C@@H](CC#N)C3)c2cc1C 597906004 RWSIPFCKZAIPEA-AWEZNQCLSA-N 296.370 3.816 30 20 CHED C[C@H](C#N)N(C(=O)c1ccc(OC2CCCC2)cc1)C1CC1 598124941 COPVFSQWMMDXHK-CYBMUJFWSA-N 298.386 3.525 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)NC1(C#N)CCCCC1 599244688 LGELYBHCJNNFQX-OAHLLOKOSA-N 284.403 3.516 30 20 CHED CC(C)(C)OC(=O)C(C)(C)NCCC1(C#N)CCCCC1 599653871 WHIABTFHTVAHDQ-UHFFFAOYSA-N 294.439 3.560 30 20 CHED COc1ccc(CNc2cc(F)cc(C#N)c2)c(Cl)c1 600856631 OZPMWCKJSISNHL-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC(C)CC1(CN[C@@H](C)CC2(C#N)CCOCC2)CCC1 602570868 XDTOPPZADVQEEE-INIZCTEOSA-N 292.467 3.891 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C#N)c1 609042842 BNSALEPGFSYNNJ-MRXNPFEDSA-N 293.370 3.701 30 20 CHED N#CCC[C@H](C#N)CNc1cccc(Oc2ccncc2)c1 609574698 ZIZRZSPITCYKPG-CQSZACIVSA-N 292.342 3.729 30 20 CHED N#Cc1ccc(CN2CC[C@H]2c2cccc(F)c2)c(F)c1 610505333 HIOGMKSIPHFQKL-KRWDZBQOSA-N 284.309 3.783 30 20 CHED CC(C)n1ncc2cc(Nc3cccc(C#N)n3)ccc21 611117591 HZMRDRKETFHFRS-UHFFFAOYSA-N 277.331 3.627 30 20 CHED C[C@H](CNCC(C)(C)C#N)c1cccc(Br)c1 612588256 VJVXVAUAYZLHNE-LLVKDONJSA-N 295.224 3.692 30 20 CHED N#Cc1ccccc1/C=C\c1nc([C@@H]2CCCS2)no1 612949543 VQPFIBGQPVPORL-WSROAFLRSA-N 283.356 3.680 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1CCC2(CC1)CC2 613329404 HEZMENCMUDCDRK-UHFFFAOYSA-N 287.403 3.807 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@@](F)(C#N)C1 615596930 VBJBJHABUKTFGV-DOTOQJQBSA-N 294.414 3.693 30 20 CHED CC[C@H](c1ccc(Cl)cc1)N1CC[C@@](F)(C#N)C1 615642526 BRZBCWUHOBQCKA-ZIAGYGMSSA-N 266.747 3.729 30 20 CHED N#Cc1cc(NCc2n[nH]c3ccccc23)ccc1Cl 617816001 MCHUXVXLDZDWNX-UHFFFAOYSA-N 282.734 3.700 30 20 CHED C=CCC1(NC(=O)[C@@H](C)Cc2ccccc2)CCCC1 619110276 GWVMSFJRQBQIJN-HNNXBMFYSA-N 271.404 3.870 30 20 CHED C=CCOc1cccc(CNCCOc2ccc(C)cc2)c1 620435127 ZUNJUNMBDNINER-UHFFFAOYSA-N 297.398 3.728 30 20 CHED C=CCCOCC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 644844968 ZSLDHMUIJZUEID-INIZCTEOSA-N 287.403 3.579 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(-c2ncco2)cc1C 655102498 LDBHUTCYZBIVLK-UHFFFAOYSA-N 270.332 3.801 30 20 CHED C=CCN(Cc1csc(CCC)n1)C(C)(C)C 661755615 VTHUCLZLFLJFJO-UHFFFAOYSA-N 252.427 3.882 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H](C3CCC3)C2)cc1 665678496 UEAPTINVDXCFBX-INIZCTEOSA-N 285.387 3.514 30 20 CHED C=CCCNC(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 665940728 KJMUELZXTSQTAR-LBPRGKRZSA-N 292.810 3.587 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](C)C1 670209055 MVFNXPYWRWMISQ-ZIAGYGMSSA-N 276.428 3.604 30 20 CHED C=CCC[C@@H](NC(=O)CCn1cccc1)c1ccccc1 676439955 AKQMNVSAHKLLTM-QGZVFWFLSA-N 282.387 3.702 30 20 CHED N#CCOc1cccc(N[C@@H]2CCC23CCCC3)c1 694401846 JPNQVAPKRDIMQG-OAHLLOKOSA-N 256.349 3.724 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)C(C)C 727650476 YXECMPYMEHGYOD-UHFFFAOYSA-N 255.705 3.692 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1cc(C)oc1C 727973346 YQNDPGAUAANSSC-UHFFFAOYSA-N 287.319 3.949 30 20 CHED CC(C)(C/N=C\c1ccccc1O)c1ccc(F)cc1 728437680 GTDWTLMNHLTRGX-ODLFYWEKSA-N 271.335 3.928 30 20 CHED CCCC(=NNc1ccc(C)nn1)C1CCCCC1 729937796 FFKDFBABFMHXHX-UHFFFAOYSA-N 260.385 3.933 30 20 CHED C#CCOc1ccc(NC(=O)CCCc2cccs2)cc1 730982624 JUNQPUBCNOYDIN-UHFFFAOYSA-N 299.395 3.722 30 20 CHED CC(C)(NCc1ccc(OCC#N)cc1)c1ccc(F)cc1 731212693 CBCNCDJTKCJRHC-UHFFFAOYSA-N 298.361 3.753 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H]1CCc2ccccc2C1 732553594 OLZLFVHVCCTSBX-MRXNPFEDSA-N 298.430 3.580 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1nccs1 732621536 ARAQILJLLMEJOW-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccc(C)s2)cc1 733325460 NJWTUVJQYZKQQT-CQSZACIVSA-N 285.412 3.919 30 20 CHED CC(C)C(=NNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 733901306 KEGQEPYEDVDDFB-UHFFFAOYSA-N 290.367 3.994 30 20 CHED C=CCCCOC(=O)c1ccc2cc(O)ccc2c1 735528404 QELUFGIHVHOYLE-UHFFFAOYSA-N 256.301 3.668 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 735534709 OMDAPRKWJHLKRH-UONOGXRCSA-N 264.752 3.953 30 20 CHED COc1ccc([C@H](C)CC/N=C\c2cccc(O)c2O)cc1 741465381 VCAAAIDJZQCIKS-CQLSMYGBSA-N 299.370 3.719 30 20 CHED Cc1ccc(C=NNc2cc(Cl)nc(C)n2)c(C)c1 741764324 ZQXKOOIMSDERCD-UHFFFAOYSA-N 274.755 3.501 30 20 CHED COc1cccc(O)c1/C=N/C[C@H](C)Oc1ccc(C)cc1 743042616 MKHQEGGPZQJQPN-BXUJETTOSA-N 299.370 3.596 30 20 CHED CC1(C)C(=NNc2c(F)cccc2F)[C@H]2CCCO[C@H]21 743440807 ZREZGGALEVSYCC-YMTOWFKASA-N 280.318 3.568 30 20 CHED C#CCCOC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 744050888 OGURCOBMOLDCFC-LJQANCHMSA-N 292.378 3.970 30 20 CHED CCCCCNC(=S)NN=C(C)[C@H](C)c1ccccc1 746369326 WSEHZGPJHRIIOG-ZDUSSCGKSA-N 291.464 3.820 30 20 CHED CN(C(=O)C#Cc1ccccc1)[C@@H]1CCCc2ccccc21 747352468 DCKZDXJZLZURNP-LJQANCHMSA-N 289.378 3.574 30 20 CHED CCOc1ccc(O)c(/C=N\CCc2cccc(C)c2)c1 749103855 DJTAJGCEQYCERE-UYRXBGFRSA-N 283.371 3.761 30 20 CHED COc1ccc(NN=Cc2cnc(C(C)C)s2)cc1 750946013 LWANYXWBCCDMCT-UHFFFAOYSA-N 275.377 3.721 30 20 CHED CCCCCCCCNC(=O)Cc1ccccc1[N+](=O)[O-] 754855908 ZONSADSLABNAHY-UHFFFAOYSA-N 292.379 3.614 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1 755274845 SPQSKRXUQLFYLQ-CXAGYDPISA-N 272.392 3.868 30 20 CHED CCCCCCC=NNc1nc(O)c2ccccc2n1 755766565 OSDWZOHFTRHEQZ-UHFFFAOYSA-N 272.352 3.704 30 20 CHED c1ccc(C[C@H]2CCCC2=NO[C@H]2CCCCO2)cc1 755820937 NOIDINDUDPUFLM-WBVHZDCISA-N 273.376 3.928 30 20 CHED CC(=NOCc1ccccc1)c1cccc([N+](=O)[O-])c1C 756825341 FAGBLVXITCPTGS-UHFFFAOYSA-N 284.315 3.844 30 20 CHED C#CC[C@H](/N=C\c1c(O)cccc1OC)c1ccccc1 756847709 VEDQKJNONRRALJ-UEIJICEPSA-N 279.339 3.584 30 20 CHED C=C[C@H](C)NC(=O)/C=C/c1cccc(OC2CCCC2)c1 757003264 AKQIOGHKRFGPRM-GETOMWPZSA-N 285.387 3.712 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(C)cc1F)c1ccccc1 757598178 ORMMRUFCIPKPAA-QGZVFWFLSA-N 281.330 3.629 30 20 CHED C#CCCCC(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 758063109 QNLVADKCVBUEEA-UHFFFAOYSA-N 287.359 3.716 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(C)c([N+](=O)[O-])c2)c1 759653246 OVKRQJFFXIESAO-UHFFFAOYSA-N 287.294 3.797 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)c1ccc(C=C)cc1 763248435 DWCGXNLUUHJFFP-UHFFFAOYSA-N 295.313 3.733 30 20 CHED CC(CCC(C)C)=NNc1ncnc2ccsc12 764838773 FVVDSIPPXKHLQC-UHFFFAOYSA-N 262.382 3.915 30 20 CHED CN(CCC#N)C(=O)C=C1CCC(C(C)(C)C)CC1 765078079 KIULTFWESRMCKX-UHFFFAOYSA-N 262.397 3.521 30 20 CHED Cc1cc(/C=C\C(=O)c2ccccc2F)ccc1C#N 766484366 OAMKRNNXVVDBOB-CLFYSBASSA-N 265.287 3.902 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(C(C)(C)O)cc1 767378866 HGGUAOYTBAEWDE-UHFFFAOYSA-N 286.350 3.889 30 20 CHED C#CCC(C)(C)C(=O)OCc1c(F)cccc1Cl 767644683 PVJPHMZDJNBLQT-UHFFFAOYSA-N 268.715 3.572 30 20 CHED Cc1ccc(C(=O)OCC2(C#N)CCC2)c(Cl)c1C 768099357 RBLVFGKTPRIVFG-UHFFFAOYSA-N 277.751 3.808 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1Cc2ccccc2C1 768899634 OTEYIFSUYMIHKB-UHFFFAOYSA-N 285.387 3.665 30 20 CHED C#CCCCN[C@@H]1CCCc2ccc(Br)cc21 771387420 DBBAPHVMWPVKCD-OAHLLOKOSA-N 292.220 3.830 30 20 CHED N#Cc1cccc(C(=O)OCc2cccc(F)c2Cl)c1 771861546 RBOSSWDZJLSITR-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)CSC(C)(C)C 772988514 QXFGMDFZEQFIJX-AWEZNQCLSA-N 291.460 3.708 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/C=C\c1ccccc1 773147705 BXTINYPXGHEBAG-WLTDFXCXSA-N 272.307 3.607 30 20 CHED C=C(CC)COC(=O)CCC(=O)c1cc(C)sc1C 773427143 FELDHSQXHIEEFR-UHFFFAOYSA-N 280.389 3.837 30 20 CHED COC(=O)c1coc(/C=C2/CCc3ccc(C)cc3C2=O)c1 774135791 OLUGUWWJZFLVCF-JYRVWZFOSA-N 296.322 3.587 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCCNc2ccccc21 774308636 AYVXANZZTNIISZ-UHFFFAOYSA-N 296.330 3.617 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C=NOC1CCOCC1 774435609 WFNCQWVOCLQILX-UHFFFAOYSA-N 292.766 3.659 30 20 CHED c1ccc(C(CC2CCC2)=NOC2CCOCC2)cc1 774456068 AKPZXIXMCLCVDG-UHFFFAOYSA-N 273.376 3.777 30 20 CHED COC(=O)c1ccccc1NN=Cc1cccc(C)c1C 776189598 NBLLHZMUKORFMY-UHFFFAOYSA-N 282.343 3.536 30 20 CHED C[C@@H](NCc1ccc(Cl)nc1)c1ccc(C#N)c(F)c1 776731119 VWCHFKHGZMKKDE-SNVBAGLBSA-N 289.741 3.597 30 20 CHED CCCn1cc(N[C@@H]2CCCc3cc(C#N)ccc32)cn1 777196676 FVGBVCRFEGGFPW-QGZVFWFLSA-N 280.375 3.654 30 20 CHED C=CCN(C(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1)C(C)C 779395303 OANMDVFKPJTCOE-CVEARBPZSA-N 296.455 3.576 30 20 CHED Fc1ccc(/C=C\C=NNc2ccc3[nH]ncc3c2)cc1 779811109 DVBMCLCDFSDYGT-JFVURICHSA-N 280.306 3.813 30 20 CHED CC[C@@H]1CCC[C@@H](C=NN[C@@H]2CCOC(C)(C)C2)C1 780252550 JWQDQLNURKEHRU-RBSFLKMASA-N 266.429 3.736 30 20 CHED C=C(C)CCOC(=O)c1cc(OC)c(C(C)C)c(OC)c1 781461514 YKWKGTVJDGMPMZ-UHFFFAOYSA-N 292.375 3.950 30 20 CHED C#Cc1cccc(NC(=O)NC(C)(C)CC(F)(F)F)c1 782017071 ZXSBVKVNTAJFJA-UHFFFAOYSA-N 284.281 3.520 30 20 CHED N#CCc1ccccc1C(=O)OCCSc1ccccc1 782605802 SXLINQWJPWMQEO-UHFFFAOYSA-N 297.379 3.702 30 20 CHED COc1cccc([C@H](C)C(=O)OCCCC(C)(C)C#N)c1 783114585 XXHJVTOQVFKDSU-ZDUSSCGKSA-N 289.375 3.672 30 20 CHED C[C@H](OC(=O)c1cccnc1C1CC1)c1ccc(C#N)cc1 784060920 YPYIDKUSRXDTGD-LBPRGKRZSA-N 292.338 3.749 30 20 CHED C=CCCCCCOC(=O)c1ccc(CC#N)cc1 784403242 HTRWJPHEAHORSP-UHFFFAOYSA-N 257.333 3.656 30 20 CHED C#CCC1(C(=O)NC[C@@H](C)c2ccccc2)CCCCC1 788140241 OVCWEGISVDMXKL-MRXNPFEDSA-N 283.415 3.880 30 20 CHED C#CCC1(C(=O)N[C@H]2COc3ccc(C)cc32)CCCCC1 788233602 VOKVQAPXMNEKRJ-INIZCTEOSA-N 297.398 3.519 30 20 CHED Oc1ccccc1/C=N/[C@@H]1C[C@H]1c1cccc(F)c1 788317695 JXSLMVMWWWUARO-UYHBEJOSSA-N 255.292 3.506 30 20 CHED CCC(=NNc1c(Cl)cccc1Cl)c1cn[nH]c1 789038874 UOIJSNLFMTULPB-UHFFFAOYSA-N 283.162 3.943 30 20 CHED N#Cc1ccc2[nH]cc(C=NNc3cccc(Cl)n3)c2c1 793162493 ANTSOHVIRGAIAP-UHFFFAOYSA-N 295.733 3.534 30 20 CHED CC[C@H](C)CON=C(C)Cc1ccc(OC)c(OC)c1 793164544 WGTBSABIOAYPCP-LBPRGKRZSA-N 279.380 3.685 30 20 CHED CC(C)Oc1ccccc1C=NNc1cccc(Cl)n1 793173793 CMAILOQCFLBLKY-UHFFFAOYSA-N 289.766 3.968 30 20 CHED C[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)C(C)(C)C 793518766 OAJXXVRFHXPVCU-GDBMZVCRSA-N 286.419 3.872 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[C@@H]1CCCOC1 794541829 ULLBRRLZAUSYJD-PNBKFKSVSA-N 278.440 3.593 30 20 CHED N#Cc1cccc(NN=C2CCC[C@H]2c2ccccn2)c1 794886205 FRXWDZGIABAKKT-HNNXBMFYSA-N 276.343 3.689 30 20 CHED CCC(=NNc1cccc(F)n1)c1cccc(C)c1 795006508 OSAADHOFTPVKFC-UHFFFAOYSA-N 257.312 3.755 30 20 CHED Cc1cccnc1COC(=O)C[C@@H](CC#N)c1ccccc1 795983139 SFAMRVYZFANHGS-MRXNPFEDSA-N 294.354 3.521 30 20 CHED CC(C)c1occc1C(=O)OCCCC(C)(C)C#N 796398460 XSGCKZRSZWOLLD-UHFFFAOYSA-N 263.337 3.890 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C)CCCCC 798039325 GLLOAYFYLJOMGR-ZOBUZTSGSA-N 281.440 3.690 30 20 CHED COc1ccccc1CON=Cc1ccc2cnccc2c1 799118803 VTBZLIGJDKADIZ-UHFFFAOYSA-N 292.338 3.794 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cncc(F)c1 799493262 ZLJMOPZYYCRNER-UHFFFAOYSA-N 271.339 3.928 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2ccc(Cl)nc2)c(O)c1 799895234 MOZFZXAMPDUTLP-HYXAFXHYSA-N 287.746 3.954 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cc1 799897994 UXECXOSBIADRAE-RMKNXTFCSA-N 283.327 3.751 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2cc(C)cc(Cl)n2)c1 799967089 WNUJOPWRRPIMNA-UHFFFAOYSA-N 299.761 3.730 30 20 CHED CSc1ccc(C(=O)/C=C\c2cn(C)cn2)c(Cl)c1 800794926 UTEAMNQWCDVTDI-UTCJRWHESA-N 292.791 3.692 30 20 CHED C=CCCCCCCNC(=O)c1ccc(NC2CC2)nc1 805219042 TZILCFXEDBMKID-UHFFFAOYSA-N 287.407 3.522 30 20 CHED C=CCCCCCCCCN[C@H]1CCN(C)[C@H](C)C1 806175767 FDMLQUXMKDPIPW-SJORKVTESA-N 266.473 3.975 30 20 CHED C#CCC1(OC(=O)c2ccc3nccc(C)c3c2)CCC1 810748322 YSTWWTVIVXTUDI-UHFFFAOYSA-N 279.339 3.646 30 20 CHED Cc1cc([C@H](C)OC(=O)c2ccc(C(C)(C)C#N)cc2)no1 810788732 XUGRAEKEFPEQJY-LBPRGKRZSA-N 298.342 3.702 30 20 CHED C=CCCCCOC(=O)c1cnn(CCC)c1C1CC1 811011545 BOMCXWHYKDFLIP-UHFFFAOYSA-N 276.380 3.684 30 20 CHED C#C[C@H](C)N(C)C/C(C)=C\c1ccccc1OC(F)F 811495965 NHEZQELITFQUKD-UKVQZPPCSA-N 279.330 3.645 30 20 CHED C(=NNCCCc1ccccc1)c1ccc2[nH]ccc2c1 811641445 CTCNDQAXAYYZOW-UHFFFAOYSA-N 277.371 3.724 30 20 CHED C#C[C@H](NC(=O)N[C@@H](C)CCC)c1ccc(Cl)cc1 811853031 YEKLXYBIZSZXNK-FZMZJTMJSA-N 278.783 3.502 30 20 CHED COc1ccc(F)cc1C=NNc1ccc2ccccc2n1 812221458 CINMBFIOOJCCMK-UHFFFAOYSA-N 295.317 3.829 30 20 CHED CO[C@H]1C[C@H](c2ccccc2)CCC1=NNCC(C)C 814892563 XNHVOGJCKFZZNK-WBVHZDCISA-N 274.408 3.571 30 20 CHED CC(C)(C)C1CCN(N=C2CCC[C@@H](C#N)C2)CC1 814913771 VKMCPIGRMPISLV-CYBMUJFWSA-N 261.413 3.814 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(O)c(C)c2)cc1 814985054 PPQIMKZBDIGGED-UHFFFAOYSA-N 284.359 3.935 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H](CCO)CC1 817695244 NVNCDBOTXASWOA-MRXNPFEDSA-N 283.456 3.748 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)CCCN)cc1 817977758 OERUFNURZWDVJD-ZIAGYGMSSA-N 296.842 3.596 30 20 CHED CC(C)c1cccc(NC(=S)N[C@@H]2CC[C@H](C#N)C2)c1 819022673 VAKYGVOWXQQVIR-SWLSCSKDSA-N 287.432 3.789 30 20 CHED CC[C@@H](NC(=O)C#CC(C)C)c1ccc(Cl)cc1 820185883 FQDUBQNBKDDSIJ-CQSZACIVSA-N 263.768 3.567 30 20 CHED C#CCCCCCC(=O)OCC[C@H]1CC1(Cl)Cl 820504922 IWJPPSSBSJFONZ-NSHDSACASA-N 277.191 3.697 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(C(C)=O)cc1F 823362944 MZPMLQGCVRWHHG-UHFFFAOYSA-N 264.296 3.536 30 20 CHED CCC[C@H](CC)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 823800849 QYHPIDQCSOMBBS-HIFRSBDPSA-N 272.392 3.904 30 20 CHED Fc1ccccc1C=NOCc1nc2ccccc2s1 824038020 KXWSYNYRYRFBBI-UHFFFAOYSA-N 286.331 3.986 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F 827565778 MRETWSXQTANFJA-RIEGTJTDSA-N 279.330 3.539 30 20 CHED Cc1ccc(C#N)c(NCC[C@]2(C)CC2(Cl)Cl)n1 829057769 AINMBQYISYYEJZ-GFCCVEGCSA-N 284.190 3.648 30 20 CHED CCc1cc(Br)ccc1NC(=O)C#CC(C)C 830342753 RNCWBDRMQXSOHT-UHFFFAOYSA-N 294.192 3.609 30 20 CHED C#CCCCCc1nc(C[C@]2(C)CC2(Cl)Cl)no1 834874175 PNNLDTBKXKKQSZ-GFCCVEGCSA-N 287.190 3.542 30 20 CHED CCCCC(C)=NNc1ccc(C(=O)O)c(F)c1 835010238 ULUFXOBSQKMDHH-UHFFFAOYSA-N 252.289 3.502 30 20 CHED C=C(C)CCOC(=O)C1(Cc2ccccc2)CCOCC1 835189889 PWVDCCLWIMILLR-UHFFFAOYSA-N 288.387 3.535 30 20 CHED CCCN(Cc1ccccc1F)C(=O)C#CC(C)(C)C 837332451 FCAMLSNRLSNEHB-UHFFFAOYSA-N 275.367 3.614 30 20 CHED CCN(Cc1ccc(Cl)cc1)C(=O)C#CC(C)(C)C 837332889 LUGJZORAJZFIEJ-UHFFFAOYSA-N 277.795 3.738 30 20 CHED Cc1coc(-c2cccc(NC(=O)C#CC(C)(C)C)c2)n1 837466102 KJDNGLDGTKIDTC-UHFFFAOYSA-N 282.343 3.638 30 20 CHED CC(C)Cc1nc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cs1 839047994 KKPQNIUKZHHRID-RYUDHWBXSA-N 292.404 3.581 30 20 CHED Cc1cccc([C@H](C)C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 839057507 YBZVOBXLXLFJMY-LZWOXQAQSA-N 271.360 3.724 30 20 CHED Cc1ccc(N(C(=O)c2ccc(C#N)o2)C(C)C)cc1 839270233 OLNKLOZXWPWOJB-UHFFFAOYSA-N 268.316 3.515 30 20 CHED CC(=NOCc1ccccc1)c1ccc2c(c1)OCCCO2 839421210 CFXOXNVCTNCYDY-UHFFFAOYSA-N 297.354 3.789 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C=C1CCCC1 839891311 MYWBHMNKRYGNMG-QGZVFWFLSA-N 269.388 3.790 30 20 CHED CC(C)[C@H](SCCC#N)C(=O)NC1CCCCCCC1 840211543 DXMXDGBHFWZPJN-HNNXBMFYSA-N 296.480 3.887 30 20 CHED Cc1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)s1 841145211 CKTSPOPUZQMZTA-JKSUJKDBSA-N 297.379 3.775 30 20 CHED CC(=NOC/C=C/Cl)[C@@H]1C[C@H]1c1cccs1 841639757 VBPXESZXAJWKDP-LIXFZDACSA-N 255.770 3.997 30 20 CHED Cc1cc(CSCC2(C#N)CCC2)ccc1N(C)C 842183138 GEEUEFWSXUEQJD-UHFFFAOYSA-N 274.433 3.988 30 20 CHED C#C[C@H](OC(=O)[C@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1 842409720 RUOOAYKNIGLBIU-ICCXJUOJSA-N 282.261 3.579 30 20 CHED Cc1c(NN=CC2CCCCC2)cccc1C(=O)O 844626984 GJWAZHGGJBLYSO-UHFFFAOYSA-N 260.337 3.671 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 845639160 OWFAOKYXKVIRHQ-SMDDNHRTSA-N 294.370 3.718 30 20 CHED C=CCSCCN[C@H](C)c1ccc2c(c1)CCCO2 850442673 OWFNDLXHLBODBF-CYBMUJFWSA-N 277.433 3.581 30 20 CHED C=C[C@H](OC(=O)[C@H](OC)[C@@H](C)CC)c1ccccc1 851451384 GXBJQPSARRMFSY-AEGPPILISA-N 262.349 3.518 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)NCCc1ccccc1C 853784251 ZYFGCCNTAPIRBH-CYBMUJFWSA-N 297.851 3.528 30 20 CHED CCCCCCCNC(=O)N1CCC2(CC1)CC2(F)F 858114520 MAXDDXGUQFCPAH-UHFFFAOYSA-N 288.382 3.788 30 20 CHED C#CCCOC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 859115959 AXGHIKDSEASQKL-SECBINFHSA-N 286.158 3.804 30 20 CHED CCc1ccc(N=C2SC[C@@H](CC)N2C(C)=O)cc1 870958088 KCVGIDAELSUNCI-CQSZACIVSA-N 276.405 3.610 30 20 CHED CC(=O)[C@](C#N)(CCSCC1CC1)c1ccccc1 871671462 LJHSPYDGKQTFIC-MRXNPFEDSA-N 273.401 3.570 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cccc2ncccc12 873411685 VEDVIKLKWUEJQK-UHFFFAOYSA-N 282.343 3.608 30 20 CHED C=CCc1ccc(OC(=O)CC(C)(C)C)c(OC)c1 875122645 OTZRUCVWKRMVME-UHFFFAOYSA-N 262.349 3.765 30 20 CHED C=CC(C)(C)CC(=O)NCC[C@@]1(C)CC1(Cl)Cl 880223836 RMXQSDQMKHZTFF-LBPRGKRZSA-N 278.223 3.679 30 20 CHED CCCCCCCC(=O)NCCCN1CCC(C)CC1 887165046 DOTMGRBKXYPACS-UHFFFAOYSA-N 282.472 3.585 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(C(F)(F)F)n1 888610509 MAQVSRGPKMNWFQ-UHFFFAOYSA-N 272.270 3.641 30 20 CHED N#Cc1cc(N2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])s1 891658804 DBNVMIQXOHIDHL-CYBMUJFWSA-N 299.355 3.869 30 20 CHED COc1ccccc1[C@@H]1CCCN1c1cc(C)cc(C#N)n1 892311009 UWKKBBWNIATNIP-INIZCTEOSA-N 293.370 3.612 30 20 CHED N#CCN(C(=O)CCCC1CCCCC1)c1ccccn1 892470924 ZTNYTDNVGXGLMW-UHFFFAOYSA-N 285.391 3.689 30 20 CHED CCn1cncc1/C=C1\CCc2cc(SC)ccc2C1=O 901467701 UIRNDZAWPHJNGP-MDWZMJQESA-N 298.411 3.837 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(Cl)cn2)cnn1C(C)C 901496699 YVMDAMPGRUYCBZ-SREVYHEPSA-N 289.766 3.717 30 20 CHED CC(C)c1ccccc1NC(=O)N1CCC[C@H](C#N)C1 902917720 VLLVSFZVEVEVII-CYBMUJFWSA-N 271.364 3.577 30 20 CHED CCO[C@H](c1noc(-c2ccc(CC#N)cc2)n1)C(C)C 904121596 OGLMMNPUNPFXCP-AWEZNQCLSA-N 285.347 3.536 30 20 CHED CC(=NNc1ccc(Cl)c(C)c1)c1cnc(C)nc1C 905511855 AGJCCWWEMBVNJI-UHFFFAOYSA-N 288.782 3.891 30 20 CHED CC(C)(C)c1ccc(C(=O)OCCCCC#N)cc1 912957574 JJOQMHGGYOKKOE-UHFFFAOYSA-N 259.349 3.835 30 20 CHED CON=Cc1ccc(C(=O)NC2CCCCCCC2)cc1 913185544 ILJXLWGZFDEDEK-UHFFFAOYSA-N 288.391 3.510 30 20 CHED CCCCN(C(=O)/C=C\c1ccccc1C#N)[C@H](C)CC 914612118 UMHPXMUKJUWZSK-QYMJWVLRSA-N 284.403 3.999 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCCCCC#N 914619744 FAKFDUXPXHXSNR-OAGGEKHMSA-N 295.423 3.701 30 20 CHED C/C=C/C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 915283866 IAOWUHHPKVFOQP-GORDUTHDSA-N 292.338 3.652 30 20 CHED C=CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353078 QPBFAORICHGVSC-KRWDZBQOSA-N 291.354 3.650 30 20 CHED CC(CCC(C)C)=NNc1nc2ccccc2n1C 915967173 DJJVVUSSRZIALY-UHFFFAOYSA-N 258.369 3.797 30 20 CHED COc1ccc(O)c(/C=N\CC2(c3ccc(F)cc3)CC2)c1 915982069 NYXUQHWZZQWDPH-JAIQZWGSSA-N 299.345 3.691 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\CCCC2CCCC2)c1 918154061 BFBHBNLRSWYXHE-WJDWOHSUSA-N 276.336 3.690 30 20 CHED C=C(CN[C@@H]1CCCC[C@H]1CCCO)c1ccccc1 924840498 HGEROMHTQOHKOC-ZWKOTPCHSA-N 273.420 3.621 30 20 CHED CC#CCOC(=O)c1ccc(OC)c(-c2ccccc2)c1 1116162341 KMGXODAFWJFXNT-UHFFFAOYSA-N 280.323 3.542 30 20 CHED Cc1ccc(N[C@H]2CCCc3cnn(C(C)C)c32)c(C#N)n1 1119286121 LSGXPASJHMQOCG-HNNXBMFYSA-N 295.390 3.529 30 20 CHED C=C(C)CCC(=O)NCc1cc(C)ccc1OC(F)F 1121037890 SOHORRZDADVJMC-UHFFFAOYSA-N 283.318 3.569 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CC[C@@H]1CC1(Cl)Cl 1121246685 WLPCWFWWAVTFDJ-VXGBXAGGSA-N 290.234 3.918 30 20 CHED C=C(CC)C(=O)Nc1ccc(SC(F)F)cc1 1123465954 YXBIUDYDBWKBPW-UHFFFAOYSA-N 257.305 3.906 30 20 CHED CCCOc1cccc(NC(=O)c2cc(C#N)ccc2C)c1 1125003884 NQYVSOXZBPTTSX-UHFFFAOYSA-N 294.354 3.908 30 20 CHED N#Cc1c(F)cc(C(=O)Nc2ccccc2Cl)cc1F 1135680173 YABQSUFRCAGHGY-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC(C)(C)[C@H]1CSCCN1CCc1ccc(C#N)cc1 1197297031 NDPTWWCCYRKHNZ-MRXNPFEDSA-N 288.460 3.564 30 20 CHED CCN(Cc1ccccc1F)c1ccc(C#N)cc1[N+](=O)[O-] 1251347350 YZMJQCBBRKQKBS-UHFFFAOYSA-N 299.305 3.632 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(F)c(OC)c1 1254011168 WFCCHQNIORXCPC-UHFFFAOYSA-N 292.398 3.986 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc2c(F)cccc2c1 1262809836 QQABZZQAPASQCQ-OAHLLOKOSA-N 298.361 3.945 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)/C=C/c1nccs1 1263520587 KRTXLSCSGLYGLH-RYYBZQDPSA-N 277.389 3.834 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCC3)COc2ccc(F)cc21 1319113459 RKFQQFBVBIMKNT-DHDCSXOGSA-N 294.325 3.973 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(CC(C)C)cc1 1320592099 MWCKTZFWVBTOOE-YOEHRIQHSA-N 261.409 3.737 30 20 CHED C=CCOC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1321578364 BKJGYORLVHPYMM-ARJAWSKDSA-N 257.116 3.736 30 20 CHED O=C(O)c1ccccc1NN=CCCc1ccc(F)cc1 1322773971 NYKHLEDAMGRNFA-UHFFFAOYSA-N 286.306 3.554 30 20 CHED N#Cc1nc(F)ccc1OCC[C@H]1CCc2ccccc21 1327618681 GMCKNWMCRMUWRI-CYBMUJFWSA-N 282.318 3.591 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(-c2nnco2)ccc1C 1332855253 WOKUIIVOJIMBOA-LBPRGKRZSA-N 285.347 3.586 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 1335907934 XAQMIXSAZKLEQA-GDBMZVCRSA-N 275.367 3.934 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cncc(-c2ccccc2)c1 1339065913 FSIPXHYWPRLJED-QGZVFWFLSA-N 293.370 3.513 30 20 CHED N#C[C@H](C(=O)C1[C@H]2CCCCCC[C@H]12)c1cccc(F)n1 1342710596 MZVLDPXHBJABBQ-AVGNSLFASA-N 286.350 3.613 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 1348987837 USDYUVAGKLPIOZ-AWEZNQCLSA-N 278.355 3.684 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 1358011592 TYMHKOSQHPQPJW-HOCLYGCPSA-N 257.377 3.747 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(F)c(C#N)c1 1360272636 WSBALBPYAOVJAD-CHWSQXEVSA-N 288.366 3.644 30 20 CHED CCCc1csc(NC(=O)[C@@H](CC#N)c2ccccc2)n1 1435766107 WCGXYVRKRGTDKY-AWEZNQCLSA-N 299.399 3.732 30 20 CHED N#Cc1cncnc1Oc1cc(C(F)(F)F)ccc1Cl 1458063704 ZHSMROPVTWVCMP-UHFFFAOYSA-N 299.639 3.813 30 20 CHED Cc1ccc(SC[C@H](C)Nc2cc(C#N)nc(C)n2)cc1 1458325652 NZYWWLKRSNIXPB-LBPRGKRZSA-N 298.415 3.558 30 20 CHED Cc1cc(NC[C@@H](c2ccccc2)C2CC2)ncc1C#N 1458401563 NDTCFBVPHJYLRE-KRWDZBQOSA-N 277.371 3.867 30 20 CHED Cc1cc(C)cc(Cn2cc(C#N)c3ccccc3c2=O)c1 1459173804 JEMDGEMRLHECAY-UHFFFAOYSA-N 288.350 3.538 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)CCC(C)(C)C)n1 1460430129 WZSLBAVMGGBAAN-NSHDSACASA-N 273.380 3.663 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)cc1 1464926494 ZDYYBSJUVFTEIP-MRXNPFEDSA-N 295.317 3.676 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1C 1520874734 HGIPNWWZRMBSRQ-CKEIUWERSA-N 297.398 3.958 30 20 CHED N#Cc1cc(C(=O)Nc2ccc(Cl)cc2F)cs1 1522282556 ANEJAHFIVDVLKX-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCc1ccc(F)cc1C(=O)O[C@H]1CCC[C@H](C#N)C1 1528080334 HZOPHNGONQUMID-FZMZJTMJSA-N 275.323 3.627 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CCCC1CCCCC1 1536522254 VUEQGSQYYXSSHF-OAHLLOKOSA-N 264.413 3.888 30 20 CHED N#Cc1cc(C(=O)N(CC(F)F)c2ccccc2)cs1 1540116991 XPYQDOPQRLJTLP-UHFFFAOYSA-N 292.310 3.532 30 20 CHED CCC[C@@H]1CCCC[C@@H]1Nc1cc(C#N)nc(CC)n1 1559096599 RGWMCGLKYRUQKY-OCCSQVGLSA-N 272.396 3.681 30 20 CHED CCN(CCOc1ccccc1C)[C@@H](C#N)c1ccccc1 1559927301 OFJVDJGWRCLJQO-SFHVURJKSA-N 294.398 3.961 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1 1564122640 CHVZAJYNXRBYKB-DLBZAZTESA-N 299.418 3.574 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)N[C@H](C)CC#N 1585745305 RSSJBXLFWTUBRO-CQSZACIVSA-N 278.355 3.694 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc([C@@H](C)C(=O)O)c1 1604123842 MWNQUWNFKHKENH-NWDGAFQWSA-N 274.364 3.615 30 20 CHED CCc1nc(C#N)cc(NC(C)(C)Cc2ccc(C)cc2)n1 1612504861 LJIZYTKVZNMYFR-UHFFFAOYSA-N 294.402 3.652 30 20 CHED CCc1cc(C)nc(Sc2ccc(C#N)c(C)c2)n1 1612519652 UGLZVDSTMVDYLV-UHFFFAOYSA-N 269.373 3.679 30 20 CHED CC1CCC(CNc2nc(C#N)c(Cl)s2)CC1 1639342789 DHCNDZGSBNOLON-UHFFFAOYSA-N 269.801 3.906 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CCC[C@H](C2CC2)C1 1640053931 JNDOEJVBPJJPCL-XJKSGUPXSA-N 265.360 3.811 30 20 CHED C=Cc1ccccc1NC(=O)NCc1cccc(C#N)c1 1672436248 NQTAVGHYATXLOU-UHFFFAOYSA-N 277.327 3.523 30 20 CHED C=C(Cl)Cn1c(N2CCC(C)CC2)nnc1C(C)(C)C 1740816193 YAZCGOLWBVBLGF-UHFFFAOYSA-N 296.846 3.564 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1C(=O)O 1776114493 RDYHBWLNZHQVKM-POHAHGRESA-N 296.322 3.598 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@H]2CCC=CCCC2)C1 1776153559 KSGPDZOKYXJFDG-FUHWJXTLSA-N 291.435 3.866 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(C[C@@H](C)C2CCCCC2)C1 1776154637 OPVAKDNKBALLFQ-CRAIPNDOSA-N 293.451 3.946 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2cc3ccccc3o2)CC1 1776161613 ISGPONFKKVLQGC-UHFFFAOYSA-N 299.370 3.676 30 20 CHED C=CCN(Cc1ccc(C)cc1)[C@H]1CC[C@H](CC(=O)O)C1 1776180103 CBHDMTAXCVWBBL-IRXDYDNUSA-N 287.403 3.626 30 20 CHED C=CCc1ccccc1CN[C@H](C)CCCCC(=O)O 1776188488 VOFQYZUOGQGXEI-CQSZACIVSA-N 275.392 3.538 30 20 CHED CN(Cc1nc2ccccc2s1)c1cccc(F)c1C#N 7365827 OYWUAYBPHXBRFJ-UHFFFAOYSA-N 297.358 3.943 30 20 CHED C=CCCC(=O)Oc1cccc(C(=O)Nc2ccccc2)c1 102246317 LCUPFOAJPZOASR-UHFFFAOYSA-N 295.338 3.811 30 20 CHED CC(C)SCCNc1cccc(Cl)c1C#N 309234467 UTOFJMPNGHMEDX-UHFFFAOYSA-N 254.786 3.765 30 20 CHED N#Cc1ccc(CNCCc2ccc3ccccc3c2)o1 174315277 MHQYSDBOBNUVRR-UHFFFAOYSA-N 276.339 3.637 30 20 CHED C[C@H]1CC[C@@H](NC(=O)NCCCCC#N)c2ccccc21 179174149 RSXYXGGGLRJHLN-XJKSGUPXSA-N 285.391 3.618 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc3c2OCCO3)cc1C 59591849 MTYUSETZFHZFPB-CMDGGOBGSA-N 294.350 3.971 30 20 CHED CCC[C@H]1CCCCN1c1nc(Cl)c(C#N)s1 310226861 GXGWWAYARVGHAJ-VIFPVBQESA-N 269.801 3.827 30 20 CHED CCc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)sc1C 26115991 BCLPKKIXNWRPMC-LLVKDONJSA-N 298.411 3.982 30 20 CHED N#C[C@@H](NC(=O)C1=CCCC1)c1ccc(Cl)c(Cl)c1 119239715 KTTLWVROSRCOQR-CYBMUJFWSA-N 295.169 3.785 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1C 59269426 NKKOEFUFIKQWKP-CMDGGOBGSA-N 280.323 3.928 30 20 CHED Cc1ccc([C@H](CNc2cccc(F)c2C#N)N(C)C)cc1 64114231 RSSVQOFBGCMCKM-SFHVURJKSA-N 297.377 3.721 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(-c2ccc(F)cc2)o1 179453152 VUDVYQHKXVMUSS-LBPRGKRZSA-N 272.323 3.820 30 20 CHED Cc1cccc(N(C)CCOc2ccccc2C#N)c1C 60479449 OXWXVKVGQGFPEW-UHFFFAOYSA-N 280.371 3.690 30 20 CHED CC[C@H]1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)C1 176507097 CYCNAJPPWKTRDK-JTQLQIEISA-N 287.313 3.621 30 20 CHED C=CCN(Cc1noc(C2CC2)n1)CC1CCCCC1 69860152 JYLPCYQHWBYUKX-UHFFFAOYSA-N 275.396 3.515 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc(F)c(F)c2)CC1 173398631 WVKWDOWPVFWJDT-CYBMUJFWSA-N 294.389 3.656 30 20 CHED C/C(=C\C(=O)O[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl 179996174 GWACOBAAWUJVDV-UAIPSJAGSA-N 289.762 3.979 30 20 CHED Cc1ccc(N/C(N)=N\C[C@H](C)c2cccc(C)c2)cc1 304811332 XDAXDSHEYUFDLL-HNNXBMFYSA-N 281.403 3.834 30 20 CHED CCC(O)(CC)CNc1ccc(C#N)cc1C(F)(F)F 301340341 PUKHVMBRBBNHJR-UHFFFAOYSA-N 286.297 3.540 30 20 CHED N#Cc1c[nH]c(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)c1 175360425 JVWIGSFGDQQITF-HNNXBMFYSA-N 299.761 3.517 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C(\C)c1cccc(Cl)c1 175998628 KHTLFKXBTOLKMS-RSPDNQDQSA-N 263.724 3.589 30 20 CHED CC(=O)Nc1cccc(CNc2ccc(Cl)cc2C#N)c1 301206117 RRIJKXXITMTRDQ-UHFFFAOYSA-N 299.761 3.782 30 20 CHED CC(C)[C@H](CC(=O)NCCCCC#N)c1ccccc1 171498983 NIAFFSSOKQGOSP-INIZCTEOSA-N 272.392 3.626 30 20 CHED C[C@H]1CC(NC(=O)N(C)Cc2ccc(C#N)cc2)C[C@H](C)C1 172397725 AHQQMKNSBQUIRQ-ZIAGYGMSSA-N 299.418 3.524 30 20 CHED C=C(C)CNC(=S)Nc1cccc(O[C@H](C)CC)c1 63794622 FJQVCCXJGCLWSV-GFCCVEGCSA-N 278.421 3.726 30 20 CHED Cc1cccc(-c2nnc(SCCCCC#N)n2C)c1 120972578 OGAIEZBIDUDKKZ-UHFFFAOYSA-N 286.404 3.577 30 20 CHED CC(=O)Nc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1 176409996 BRNFQKYRXJEXFQ-ZSOIEALJSA-N 295.313 3.607 30 20 CHED CCCCN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](C)CC 122838542 STXKIUYRSVXGGH-LLVKDONJSA-N 294.345 3.877 30 20 CHED Cc1cc2[nH]ncc2cc1Nc1ccc(Cl)c(C#N)n1 302741601 ZFQUKLNRTKJBSR-UHFFFAOYSA-N 283.722 3.535 30 20 CHED C=CC[C@H](C)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 252784786 ULBXPCXNRSNGPI-SOUVJXGZSA-N 296.455 3.624 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cccc(Br)c1 129192241 KGDSDFFDZWLYHJ-JTQLQIEISA-N 281.197 3.649 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc(CCC(F)(F)F)cc1 125163018 SYVNOGUVXJNIAE-NSHDSACASA-N 298.308 3.556 30 20 CHED C=CCC1(C(=O)Nc2ccn(Cc3ccccc3)n2)CCC1 188962609 NWCGAGNRILQYAV-UHFFFAOYSA-N 295.386 3.616 30 20 CHED C=CCC1(C(=O)Nc2ccc(Br)nc2)CCC1 189511767 BYMSMPWDTOGLMN-UHFFFAOYSA-N 295.180 3.529 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)O[C@@H](C#N)C(C)C 122319931 KYDJPBOEIASQOU-OIOXUXFSSA-N 277.751 3.835 30 20 CHED Cc1nscc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 180444938 GWRSCDPIUJIFHS-VIFPVBQESA-N 291.401 3.522 30 20 CHED Cc1cnc([C@H](C)Nc2cc(C#N)cc(Cl)n2)s1 125528033 DYFKPVFMKZRWLM-QMMMGPOBSA-N 278.768 3.545 30 20 CHED C=CCCOC(=O)c1csc(-c2ccc(F)c(F)c2)n1 182012473 YFYFLIWTMDQNOY-UHFFFAOYSA-N 295.310 3.821 30 20 CHED CC(C)CNC(=O)Nc1ccccc1SC[C@H](C)C#N 78572809 DDIYQUJIILAQKN-GFCCVEGCSA-N 291.420 3.716 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](C#N)CCC#N 121001393 IKTZIIUKQHRITR-LBPRGKRZSA-N 296.201 3.869 30 20 CHED CCn1c(SCCC(C)(C)C#N)nnc1-c1ccco1 78918890 NDDMDEBCAMMSJW-UHFFFAOYSA-N 290.392 3.590 30 20 CHED C[C@H](NC(C)(C)CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 185827463 AUCZOFNQWWTKMJ-BQFCYCMXSA-N 299.462 3.788 30 20 CHED C[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c23)C1 507013182 CDXPPKXTFSCALQ-SECBINFHSA-N 289.741 3.745 30 20 CHED CCCc1nnc(S[C@@H](C)c2ccc(C#N)cc2)o1 122242361 XNKBXCKWDVRMCD-JTQLQIEISA-N 273.361 3.747 30 20 CHED CCOc1ccc(OCC)c(N[C@@H]2CCC[C@H](C#N)C2)c1 185736118 VSQZZKLARHZRMB-UONOGXRCSA-N 288.391 3.978 30 20 CHED Cc1c(N[C@H]2CCC[C@H](C#N)C2)cnn1-c1ccccc1 185891258 XIXKRPVPCUZPNH-GJZGRUSLSA-N 280.375 3.675 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl 489466793 ZBDIUUNYSBAZLW-GFCCVEGCSA-N 280.755 3.789 30 20 CHED C=C(C)CCc1noc(Cc2ccc3c(c2)CCC3)n1 508635994 JVUBPUWAHACGBS-UHFFFAOYSA-N 268.360 3.658 30 20 CHED C#CCN(Cc1cncc(C)c1)[C@@H]1CCc2ccccc21 189804954 UTLBWALRIVZFKT-LJQANCHMSA-N 276.383 3.513 30 20 CHED C=C[C@@H](CC(=O)OCc1nc(C)c(C)o1)c1ccccc1 122429333 FJLKEDUCYCAUTE-AWEZNQCLSA-N 285.343 3.695 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CCCC(C)(C)C#N)C12CCC2 120834945 UNZMNQGEDNKGQO-HUUCEWRRSA-N 278.440 3.596 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)cc1C 33473702 OJNJRCOBJIJNQV-POHAHGRESA-N 280.323 3.898 30 20 CHED CC[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)[C@@H]1CC1(C)C 416278488 RGVZIUCCPDENPS-IKGGRYGDSA-N 298.430 3.700 30 20 CHED C[C@@H](NCCCSCC#N)c1c(F)cccc1Cl 181762548 RQHVFKVKBCXIIN-SNVBAGLBSA-N 286.803 3.777 30 20 CHED CC(C)n1ccc(=O)nc1S[C@@H](C)c1cccc(C#N)c1 189846210 MMXNTFMNERHZLY-LBPRGKRZSA-N 299.399 3.549 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl 506850169 WVKSWFPIDVUUBB-WCQYABFASA-N 290.794 3.768 30 20 CHED C=CC[C@H](C(=O)N(C)[C@H](CC)CSC)c1ccccc1 188961064 MCFVEFJZLKVJTK-CVEARBPZSA-N 291.460 3.946 30 20 CHED Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1C(=O)NC(C)C 185746972 IMXXMOGVCDGVLD-HUUCEWRRSA-N 299.418 3.628 30 20 CHED CC1CCN(CCCCN[C@H](C)c2cccc(C#N)c2)CC1 181512505 WBAQLNDCTAFZJD-QGZVFWFLSA-N 299.462 3.721 30 20 CHED C=CCN(Cc1cc(O)cc(F)c1)Cc1cccs1 186164349 FOYFFLHAPBQQPG-UHFFFAOYSA-N 277.364 3.781 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)CC(C)(C)OC)c1ccccc1 135928677 QIOKMXZFNUHMKR-CABCVRRESA-N 289.419 3.666 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1c(C)oc2ccccc12 184643344 DSZMQHGFKQALMX-LLVKDONJSA-N 272.348 3.505 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 412282825 CHEQTVFFFBOUFS-GOEBONIOSA-N 299.414 3.898 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CC(C)C)C1 188513847 IPSCQCQHTPLMPD-HOCLYGCPSA-N 251.414 3.873 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1SCc1cn[nH]c1 505519770 LPVFYGQHYANPBQ-UHFFFAOYSA-N 292.367 3.636 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 505314825 RAGRCUDEEFHSFL-DOMZBBRYSA-N 290.794 3.910 30 20 CHED CC(C)(C#N)CNCc1cc(Cl)ccc1Cl 134977053 FXFFXYPHIGZMGW-UHFFFAOYSA-N 257.164 3.633 30 20 CHED Cn1ccc(C(=O)Nc2ccccc2CC#N)c1C1CCC1 410827875 MGTPGOIOSOBIBJ-UHFFFAOYSA-N 293.370 3.611 30 20 CHED C=C(C)[C@H]1OCC[C@H]1/C(O)=N/Cc1nc(C(C)C)cs1 329888383 YVODIEOGQXPYMV-BXUZGUMPSA-N 294.420 3.704 30 20 CHED CCCc1nc(C)c(CN(CCC#N)CCC(C)C)o1 428249622 WARTYHRWTDSWQT-UHFFFAOYSA-N 277.412 3.697 30 20 CHED N#CCCN(CC1CC1)C(=O)c1ccc(Cl)cc1Cl 264110663 VMKNMNAKWDQUEV-UHFFFAOYSA-N 297.185 3.759 30 20 CHED Cc1nnccc1N=C(O)CC12CC3CC(CC(C3)C1)C2 329539404 MSQQUDRSXVORND-UHFFFAOYSA-N 285.391 3.980 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1ccccc1OC(C)C 510498408 ZHFLLFDOWGHCEG-UHFFFAOYSA-N 294.354 3.906 30 20 CHED CCCCCCCCCNC(=O)[C@@H](C)c1c(C)n[nH]c1C 131058644 ZSVKAJNZCQOJSC-ZDUSSCGKSA-N 293.455 3.997 30 20 CHED CCC(C)(C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425126862 IHFPXZYLFJWJMR-CYBMUJFWSA-N 272.392 3.904 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F 48579054 SEVCBPSOSLSKDP-DAFODLJHSA-N 295.266 3.831 30 20 CHED C=CCCCC(=O)N(C)c1ccc(OC(C)C)cc1 191587427 GSBGQAIOZINZEU-UHFFFAOYSA-N 261.365 3.793 30 20 CHED Cc1cc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)ccc1C1CC1 519641203 VYKOLNFHVMIHML-SWLSCSKDSA-N 283.375 3.686 30 20 CHED CC[C@H](NCc1ccccc1C#N)c1cccs1 49530753 WFQNTEPSXLYAMZ-AWEZNQCLSA-N 256.374 3.861 30 20 CHED C[C@H](NC(=O)NCCCCC#N)c1c(F)cccc1Cl 81492606 ZOKPYCISISNNBO-JTQLQIEISA-N 297.761 3.533 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1C 337912904 ZMBHLQNIMCENIK-LRDDRELGSA-N 270.376 3.517 30 20 CHED CN(Cc1ccc(F)cc1C#N)Cc1c(F)cccc1F 339598536 RDROLYYPKAXDAU-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CC(C)(CCC#N)CNCc1ccnc(C(F)(F)F)c1 295033243 LXEMSWYKPNNQKX-UHFFFAOYSA-N 285.313 3.520 30 20 CHED C[C@H]1CCC[C@H](C)N(CCCC2(C#N)CCOCC2)C1 337197375 XAVDCYBQQMMICG-HOTGVXAUSA-N 278.440 3.597 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)C1CCCC1 512494336 HGLHTSNJDOPJBD-UHFFFAOYSA-N 266.429 3.810 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(CCC)nn1C)c1ccccc1 90151817 SBNQTVBGEMXDCI-AWEZNQCLSA-N 297.402 3.671 30 20 CHED C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)c(F)c1 337555509 RCLXHTUTOWPRNZ-CUOATXAZSA-N 298.308 3.508 30 20 CHED CC[C@@H](/N=C(/O)NC(C)(C)CC(C)(C)C)C1CCOCC1 330970976 GTKYEMPMJKREFJ-CQSZACIVSA-N 298.471 3.910 30 20 CHED Cc1cc(Cl)cc(C)c1CN(C)[C@@H](C)CC#N 93090467 JEXXNPZAPKMTPQ-LBPRGKRZSA-N 250.773 3.691 30 20 CHED CCCOC1(C/N=C(/O)c2cnc(C)s2)CCCCC1 331100207 BGGRAWQJVBKCBD-UHFFFAOYSA-N 296.436 3.886 30 20 CHED C[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CCC1 334773951 ZIUNTRQMTRPNQL-CQSZACIVSA-N 294.398 3.610 30 20 CHED N#C[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1ccccc1Cl 332777815 MMJMCDQBMIKAKJ-GXTWGEPZSA-N 288.778 3.601 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC1CC(c2cccc(F)c2)C1 436283517 LPKVTZRLGMSADO-OBHHBEAMSA-N 289.394 3.643 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(OCC)cc1 432456340 VIRINXOTSLNASZ-UHFFFAOYSA-N 276.380 3.809 30 20 CHED C=CCC[C@@H](NC(=O)c1cnccc1C)c1ccccc1 435268634 PEXFOFQPNAPOKA-QGZVFWFLSA-N 280.371 3.827 30 20 CHED CCC(CC)CN(CCC#N)CCCc1cnccc1C 347791360 VPWCKHFVMHDMHV-UHFFFAOYSA-N 287.451 3.975 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNC1CCC(CCC)CC1 435731281 JATWNTGXTOKHEB-MNAZLIDISA-N 265.441 3.916 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cccc(Cl)c1 435671369 JHXUTBHBIJOIMK-BJJXKVORSA-N 279.811 3.972 30 20 CHED CCN(Cc1cccc(F)c1)C(=O)c1ccc(CC#N)cc1 340040358 FDESSVBQIQRQGW-UHFFFAOYSA-N 296.345 3.554 30 20 CHED CCN(Cc1c(F)cccc1F)C(=O)C(C#N)(CC)CC 528344051 GCXIXUXPSRWAGV-UHFFFAOYSA-N 294.345 3.643 30 20 CHED COc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 341757804 LMIKZUMVYHXSNY-SFHVURJKSA-N 292.382 3.734 30 20 CHED Cc1cccnc1[C@H](NC[C@@H](C)CCC#N)C(C)C 602547741 NPWBDVKNPDNONB-DZGCQCFKSA-N 259.397 3.617 30 20 CHED C=C(C)COc1cccc(NC[C@H](C)CCC#N)c1 602496827 VYMKULLZPGDOIS-CQSZACIVSA-N 258.365 3.993 30 20 CHED CC1CCC(c2noc(Cc3c(F)cccc3C#N)n2)CC1 346255920 SKNDSXMSMGVEEI-UHFFFAOYSA-N 299.349 3.965 30 20 CHED COCc1cc(C#N)ccc1NC[C@H]1CCCC1(F)F 603386895 LBKRZTYYSHJZOL-CYBMUJFWSA-N 280.318 3.552 30 20 CHED CC1(C)CCc2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2O1 528010445 MJIZGAFSCNEKRC-TZMCWYRMSA-N 270.376 3.894 30 20 CHED COc1cc(/C=C2\CCCC(C)(C)C2=O)cc(OC)c1O 255050873 QNWXJXFUNOPORU-XYOKQWHBSA-N 290.359 3.572 30 20 CHED COc1ccc(O)c(C=Nc2cc(F)c(F)c(F)c2)c1 255321618 CPASCCZUPQVWQN-UHFFFAOYSA-N 281.233 3.569 30 20 CHED CCC(CC)CN(CCC#N)[C@@H](C)c1cnc(C)nc1C 602464125 CBHGBNRWJYCSRD-AWEZNQCLSA-N 288.439 3.806 30 20 CHED N#CCCCCN[C@H](CC(F)(F)F)c1ccccc1 341593220 ZHLHOKUILDCDPZ-CYBMUJFWSA-N 270.298 3.964 30 20 CHED CCOc1cccc(C=Nc2ccc(C)cc2OC)c1O 255383030 ASKBFBPGFKGGMO-UHFFFAOYSA-N 285.343 3.859 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2c(F)cccc2F)s1 254990304 MPUIAJLDSNRQFN-WAYWQWQTSA-N 275.279 3.794 30 20 CHED CCCCn1cc(CN[C@@H](C)c2cccc(C#N)c2)c(C)n1 344287286 IGSIFNVSSYNACW-AWEZNQCLSA-N 296.418 3.714 30 20 CHED N#Cc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)s1 255724639 FZPDFJGXBMNXOP-SDQBBNPISA-N 286.743 3.766 30 20 CHED CC1=Nc2ccccc2C12CCN([C@@H]1CC[C@H](C#N)C1)CC2 602867207 YPTHHWWTJSERON-JKSUJKDBSA-N 293.414 3.818 30 20 CHED CC(C)(C(=O)N1CCC[C@](C)(C#N)C1)C1CCCCC1 753160040 FEWJBNYGZRDHJH-QGZVFWFLSA-N 276.424 3.745 30 20 CHED C=CCCCC[C@H](C)NCC1(SC)CCOCC1 449173420 KXJQXTFRVQCETH-AWEZNQCLSA-N 271.470 3.623 30 20 CHED CCCCC1=NN(c2ccc(C#N)c(Cl)c2)C(=O)[C@@H]1C 601948075 JSVIRWCFNHAQGW-SNVBAGLBSA-N 289.766 3.741 30 20 CHED CC[C@H](CC(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 609142404 HWGLGDJIETYDBE-GDBMZVCRSA-N 272.392 3.625 30 20 CHED Cc1ccc(-c2nc(CNC[C@H](C)CCC#N)co2)cc1 602561483 RBTONSIRDICINI-CQSZACIVSA-N 283.375 3.680 30 20 CHED CC(C)n1ncc2cc(NC[C@@H](C)CCC#N)ccc21 602588625 OMUITIYKADIRSR-ZDUSSCGKSA-N 270.380 3.969 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)C[C@@H](CC#N)c1ccccc1 355667710 YKMFRQBPGKJUEA-HLLBOEOZSA-N 284.403 3.863 30 20 CHED C=CCCCC[C@H](C)NC[C@@H](C)c1nccs1 449236765 LITXKMPZPZUMSY-OLZOCXBDSA-N 252.427 3.971 30 20 CHED Cc1cc(CNC[C@@H](C)Cc2cccs2)ccc1C#N 443981598 AZJQYUPYUWYDMX-ZDUSSCGKSA-N 284.428 3.897 30 20 CHED CCS[C@@H]1CCCCN(Cc2ccc(C#N)cc2)C1 353601533 AVYVNKXIKIEIHL-MRXNPFEDSA-N 274.433 3.666 30 20 CHED CC[C@H](N[C@H](CC)[C@H]1CCCO1)c1ccc(C#N)cc1 447590118 ZZXFZQSHKYABLP-GVDBMIGSSA-N 272.392 3.557 30 20 CHED N#Cc1ccc(NC(=O)C=C2CCC2)cc1C(F)(F)F 268051447 PXGZGEHNPGHPRH-UHFFFAOYSA-N 280.249 3.626 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)c1sccc1C#N 354870861 USWGLFNCAJYFEW-LBPRGKRZSA-N 284.384 3.728 30 20 CHED N#Cc1cnc(N[C@@H]2CCCOc3ccccc32)c(Cl)c1 263824635 ZFBQOYHEOPGGEB-CQSZACIVSA-N 299.761 3.932 30 20 CHED Cc1ccc(CCN(CCC#N)CC(C)(C)C)cc1 532967400 BFYDVSCMIIXQRJ-UHFFFAOYSA-N 258.409 3.799 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccccc1C)C(C)(C)C 538258017 PHYGMJOBQZESPB-WBVHZDCISA-N 275.436 3.999 30 20 CHED C[C@H]1[C@H](Cc2ccccc2)CCN1CCCCC#N 266949001 SXOKKIOUNHYMRO-RDJZCZTQSA-N 256.393 3.633 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 614396540 NJTZILPUOLDRNR-IXDOHACOSA-N 271.404 3.878 30 20 CHED Cc1nc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cs1 619508207 OTVXRUYEEYXZLZ-QGZVFWFLSA-N 297.427 3.881 30 20 CHED Cc1ccc(C(C)(C)C(=O)Nc2ccc(CC#N)cc2)cc1 264042970 YPHOUAINCHRMOO-UHFFFAOYSA-N 292.382 3.977 30 20 CHED N#Cc1ccc(Sc2ncnc3ccc(F)cc23)cc1 356591493 VYXODDKFBVNIKW-UHFFFAOYSA-N 281.315 3.792 30 20 CHED C[C@@H](C1CCC1)N(C)C(=O)Nc1ccc(C#N)cc1Cl 357020120 NERVMOWUJFPRFM-JTQLQIEISA-N 291.782 3.864 30 20 CHED C=C(CNC(=O)C1CCC2(CC1)CC2)c1ccccc1 614867497 NTMIVPSPFPMYJR-UHFFFAOYSA-N 269.388 3.786 30 20 CHED CCCC(C)(C)NC(=O)C[C@@H](CC#N)c1ccccc1 355480518 XREMIHOQVBJGIF-OAHLLOKOSA-N 272.392 3.769 30 20 CHED C=C(CC)COc1cccc(NC(=O)NCCC)c1 536881963 MIYIAROYUAAAJH-UHFFFAOYSA-N 262.353 3.563 30 20 CHED C=C(C)CSCc1nnc(-c2ccc(OC)cc2)o1 357036585 KUYDFXKFTMCLHA-UHFFFAOYSA-N 276.361 3.555 30 20 CHED Cn1cnc2cc(N[C@@H]3CCc4ccc(C#N)cc43)ccc21 353656883 KFFCMGRIYHXMQS-MRXNPFEDSA-N 288.354 3.544 30 20 CHED C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CC1)c1cccs1 269642558 WWQCAXOJFUXRDD-GFCCVEGCSA-N 296.395 3.529 30 20 CHED C[C@H](C#N)CN(C)CCc1c(Cl)cccc1Cl 450340761 XLCIVPXBMSPSKN-SNVBAGLBSA-N 271.191 3.627 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C)c(C(C)=O)c2)C1 617780434 VVGVOQLCHBHZKA-HNNXBMFYSA-N 285.387 3.626 30 20 CHED C[C@H](SCCOC[C@@H]1CCCO1)c1ccc(C#N)cc1 610315488 WOHMKMJEJAJVGO-BBRMVZONSA-N 291.416 3.548 30 20 CHED C[C@@H](CCc1ccccc1)N1CCC[C@](C)(C#N)C1 612164767 IQISBZUUDYIARC-DOTOQJQBSA-N 256.393 3.633 30 20 CHED C=CCCC(=O)N(C)CCCc1cc(-c2ccccc2)no1 364499602 JCJXWCQANSWABH-UHFFFAOYSA-N 298.386 3.699 30 20 CHED Cc1ccc2c(c1)CN(Cc1cccc(C#N)c1F)C2 361604403 SXXACFHGJIONKI-UHFFFAOYSA-N 266.319 3.522 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 456829996 PWICTWWONNUXIN-XDQVBPFNSA-N 273.376 3.589 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)CCCC(C)C)OCC 535151398 KPZRBZFFZASUSR-GJZGRUSLSA-N 269.429 3.689 30 20 CHED C[C@H](CCC#N)CN1CCCCC[C@H]1c1ccncc1 618887433 ZLEDPTCNAJKTGL-WBVHZDCISA-N 271.408 3.939 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCCS2)CCCC1 450544143 MRGJISCCCOJRRM-CYBMUJFWSA-N 267.438 3.525 30 20 CHED C=CC[C@H]1CCCN(C(=O)Cc2cccc3cccnc23)C1 617787837 YMQSJAKCIQKCLG-HNNXBMFYSA-N 294.398 3.592 30 20 CHED CC[C@@H]1CC[C@H](C)N(C(=O)[C@H](C)c2cccc(C#N)c2)C1 456815032 DIXZAQPDZLDGFP-RRFJBIMHSA-N 284.403 3.699 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@](C)(C#N)C2)C1 612367363 FKDLTQWXRJKJQL-INMHGKMJSA-N 291.439 3.536 30 20 CHED C=C(CC)CNC(=O)Nc1cc(Cl)cc(F)c1F 455392272 VUXMBDXQNUUQKC-UHFFFAOYSA-N 274.698 3.706 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(Cl)c2)s1 362975412 FOLSHHMLSYMREZ-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C)CC=C 362761180 WAACDWLVMWZRGS-GFCCVEGCSA-N 261.390 3.659 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@H](CC)C1 362817334 KMIJGDUHRGVUJD-ZDUSSCGKSA-N 275.417 3.837 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2cc(C)ccc2C)no1 546313158 BUACUQFZLKOFCL-AWEZNQCLSA-N 286.375 3.931 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCC(C)(C)CC#N 459264359 YYZQUWFSFCTTJB-ZBFHGGJFSA-N 299.418 3.514 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(CC#N)c1 455922353 QIRPVCDFVZKPRR-GDBMZVCRSA-N 285.391 3.843 30 20 CHED CC(C)(C#N)CCCC[S@](=O)Cc1ccc(F)cc1 277815459 IYVZMXADHIUXIV-IBGZPJMESA-N 281.396 3.794 30 20 CHED Cc1nsc(SCc2ccc([N+](=O)[O-])cc2)c1C#N 361043737 QBPIDLMDMQJMLL-UHFFFAOYSA-N 291.357 3.524 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(CC#N)cc1 270387467 QFRNMPFWXJXFJW-CQSZACIVSA-N 290.366 3.734 30 20 CHED CC1(C)CCC[C@@H](C(=O)N(CCC#N)Cc2ccco2)C1 270131533 XXEOAPWPRJADFS-CQSZACIVSA-N 288.391 3.738 30 20 CHED C=CC(C)(C)CNC(=O)c1c(Cl)cccc1Cl 456120810 VLAUMJULKCMXSL-UHFFFAOYSA-N 272.175 3.935 30 20 CHED C=CCn1c(C)nnc1SCCCc1ccsc1 360946128 JKDZVXBYAGGUHE-UHFFFAOYSA-N 279.434 3.559 30 20 CHED CCCCN(C(=O)NCCCC#N)[C@@H](C)c1ccccc1 273588598 QCSJDWHXZCQIHT-HNNXBMFYSA-N 287.407 3.863 30 20 CHED C=CCCCC(=O)N(CC)c1ccc2[nH]ccc2c1 276740689 ZGJUXVKHPZQAAZ-UHFFFAOYSA-N 256.349 3.877 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccc(C#N)cc1 454171020 MLBCDOPCMVLQRF-KRWDZBQOSA-N 285.391 3.991 30 20 CHED Cc1cc(C)c2c(c1)N(C(=O)CC(C)(C)C#N)CCC2 278711942 KXSXNHZNFXHRNP-UHFFFAOYSA-N 270.376 3.523 30 20 CHED Cc1nn(-c2ccccc2)cc1Nc1snc(C)c1C#N 361042840 MSDWIFUXUUQETL-UHFFFAOYSA-N 295.371 3.561 30 20 CHED C=CCOc1c(Cl)cc(CNC2(CC)CC2)cc1OC 623537456 YNTKZLJDZCKOLJ-UHFFFAOYSA-N 295.810 3.946 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(OC)c2ccccc12 628927550 XELBOEZMOAZFJB-ZDUSSCGKSA-N 299.370 3.768 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 542376972 AOAJEJXGERMYBK-GFCCVEGCSA-N 289.354 3.597 30 20 CHED C=CCC(CC=C)c1nc(-c2cc(C)ccn2)no1 273721239 JIVCYLNBYJCKIL-UHFFFAOYSA-N 255.321 3.676 30 20 CHED C=CC[C@H](CC)NC(=O)NCCCc1c[nH]c2ccccc12 542855272 CCFXTKUTRNJNOA-HNNXBMFYSA-N 299.418 3.754 30 20 CHED C#CCCCN1CCC[C@@H]1c1nc2ccccc2n1CC 271023609 JONHFJRKUMGALK-QGZVFWFLSA-N 281.403 3.607 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1scnc1C 279394756 JCARUCAOLBPGGL-UHFFFAOYSA-N 286.400 3.670 30 20 CHED C[C@@H](NCc1ccccc1N(C)C)c1ccc(C#N)c(F)c1 271936639 KHYNYSQGKWUJTM-CYBMUJFWSA-N 297.377 3.614 30 20 CHED COc1ccc(C)cc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 274206252 MFXKUYZINIEHNX-KKUMJFAQSA-N 272.392 3.737 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCc1sccc1C 540485621 LOBSUOKRTVAKRX-CYBMUJFWSA-N 280.437 3.643 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CC[C@H](SCC)C1 466315824 BPTBIKWCEOIJQP-MJBXVCDLSA-N 284.469 3.657 30 20 CHED CCCN(C(=O)c1c[nH]c(C#N)c1)[C@@H](CC)c1ccccc1 272026333 SQQXOZVYVVAQHW-KRWDZBQOSA-N 295.386 3.890 30 20 CHED C=CCCN(C)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 466963826 GXYLDHUSVMFSSL-RYUDHWBXSA-N 292.345 3.573 30 20 CHED CC#CCCN1CCC[C@@H]1c1cccc(Br)c1 462322694 ZPFOICRHOQOIKA-OAHLLOKOSA-N 292.220 3.999 30 20 CHED C=CCN(C(=O)Cc1ccc(Cl)cc1)C(C)(C)C 622942631 UVIXQMBXNODTJI-UHFFFAOYSA-N 265.784 3.696 30 20 CHED CCc1ccc([C@H](C)NCCc2cccc(C#N)c2)o1 467437669 WAEKCERXYBSWQQ-ZDUSSCGKSA-N 268.360 3.607 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCOc1ccc(Cl)cc1 466361147 PXIHLTZDAHRWHS-INIZCTEOSA-N 295.810 3.780 30 20 CHED CCc1ccc(NC(=O)N(CC)CCC#N)cc1Cl 287643111 JLKNFCMJHBQJJK-UHFFFAOYSA-N 279.771 3.670 30 20 CHED CCOc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 461927643 VOEDNDGXFHRZII-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED C[C@H](C#N)CN(C)c1nc2cc(C(F)(F)F)ccc2s1 462777818 NNNJTCBRSDDYHS-MRVPVSSYSA-N 299.321 3.911 30 20 CHED N#CCC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 375968072 HSHIRXJUNJBGLF-LSDHHAIUSA-N 290.794 3.786 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 558059795 GGUJYJXYMUSFPA-CHWSQXEVSA-N 274.339 3.509 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 464751354 OCMWNOYAICQWGX-NWDGAFQWSA-N 272.348 3.710 30 20 CHED Cc1oc(C#N)cc1C(=O)N1C[C@H](C(C)C)c2ccccc21 280932361 FPQOIRHEBCCDMI-MRXNPFEDSA-N 294.354 3.860 30 20 CHED CCc1cc(C#N)c(NC(=O)CC(C)(C)CC(C)=O)s1 636698993 MNVNGWPOFSDQAO-UHFFFAOYSA-N 292.404 3.516 30 20 CHED C=CCC(C)(C)CN[C@H](C)CC(=O)Nc1cccc(C)c1 556214412 ARCISZNNLFJXFG-OAHLLOKOSA-N 288.435 3.904 30 20 CHED CC#CCNC(=O)C1(Cc2cccc(Cl)c2)CCCC1 551808736 AOXBDHZUBBWRHZ-UHFFFAOYSA-N 289.806 3.582 30 20 CHED C=CCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 285967627 AWWARVACJHQKLK-BBWFWOEESA-N 269.388 3.747 30 20 CHED CC[C@@H](CNc1cc(C)nc(C#N)c1)Oc1ccccc1F 557630592 NSGYGGJFLMPVRO-HNNXBMFYSA-N 299.349 3.670 30 20 CHED N#Cc1cc(N2CCC[C@@H]2/C=C\c2ccccc2)ccn1 553518288 AUPVMMBFSOCWIR-XZVRFQMRSA-N 275.355 3.635 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccc2cc(OC)ccc2c1 286096728 MJWUMQPRBRODEU-GOSISDBHSA-N 297.354 3.831 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](CC2CC2)C1 559411629 SGRBOMAJISUQRM-CZUORRHYSA-N 254.377 3.741 30 20 CHED N#Cc1ccnc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 283932120 XNTKKNUHWJCLDA-HOCLYGCPSA-N 299.761 3.549 30 20 CHED C=CCC(C)(C)C(=O)N1CCC2(CCSCC2)CC1 633939036 AELKBGDWPAFEKN-UHFFFAOYSA-N 281.465 3.725 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(C#N)s1 553651528 WHVFGEOTTSPENO-NSHDSACASA-N 290.819 3.994 30 20 CHED C=C(Br)CN(CCCC)Cc1ccccc1O 801599305 JTAJGSVKZAUGJE-UHFFFAOYSA-N 298.224 3.903 30 20 CHED C#Cc1ccc(CNCc2c(F)c(F)cc(F)c2F)cc1 809625799 RVNFXOSMIFFJCX-UHFFFAOYSA-N 293.263 3.514 30 20 CHED CC(C)Cc1ccc(/C=C/C(=O)c2ccnc(O)c2)cc1 806556698 XWOJSJFFDXGMON-BQYQJAHWSA-N 281.355 3.882 30 20 CHED C=CCC(C)(C)CN[C@H](c1nnc[nH]1)C1CCCCC1 293787870 UAEZGQHEVKMFRH-AWEZNQCLSA-N 276.428 3.618 30 20 CHED C=C(C)CCN[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 639226968 JKIWRQUXJKCLTN-IEBWSBKVSA-N 284.447 3.910 30 20 CHED C#CCN(C)C(=O)Nc1ccc(-c2ccccc2)c(C)c1 801711563 RCWAKAPNJAFDJO-UHFFFAOYSA-N 278.355 3.759 30 20 CHED N#CC[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 700845063 KGBPBCTXXFNOKO-BMWLXYDHSA-N 288.778 3.505 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC1(F)F 294714861 USHOXPFGBDZIJZ-UWVGGRQHSA-N 296.342 3.532 30 20 CHED Cc1cc2ncn(CC#Cc3ccc(F)cc3)c2cc1C 477414159 FKIBEPSRBPEVMG-UHFFFAOYSA-N 278.330 3.844 30 20 CHED CCC[C@@H](Nc1cc(C#N)cc(C)n1)[C@H](O)c1ccccc1 804680865 WSIHIZODZUSWAV-SJLPKXTDSA-N 295.386 3.576 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@@H]1CCCF 800816901 SFCWITBCUKDMFV-GFCCVEGCSA-N 278.375 3.918 30 20 CHED C=CCCCCCCCCNC(=O)[C@@H]1CCCCO1 805278232 VRCCIUWGLDKOEF-HNNXBMFYSA-N 267.413 3.588 30 20 CHED C#CCCc1noc(-c2cccc(C3CCC3)c2)n1 809396430 GTBWWYOMVAAZHZ-UHFFFAOYSA-N 252.317 3.570 30 20 CHED C=CCN(C(=O)c1cccc2oc(C)nc12)c1ccccc1 470791575 CXOGEUIIJBBERT-UHFFFAOYSA-N 292.338 3.969 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2nccnc2C2CCC2)o1 807991788 RZWYRILYQRXOPV-FZMZJTMJSA-N 296.374 3.907 30 20 CHED Cc1ccncc1CCCNc1cccc(C#N)c1C 809635249 DRVHNEMEDUYXRK-UHFFFAOYSA-N 265.360 3.615 30 20 CHED C[C@H](C#N)OCCN1CCCCC[C@H]1/C=C/c1ccccc1 801926069 MRCNISOYYVFZLX-CYYVBXFOSA-N 298.430 3.873 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1c2ccc(F)cc2O[C@@H]1C 569154536 KGGZUGQIUQBEBK-BZNIZROVSA-N 289.350 3.532 30 20 CHED C=CCCN1CCC(c2nc(C(F)(F)F)cs2)CC1 296361796 QXVIOWZBIHBMCM-UHFFFAOYSA-N 290.354 3.917 30 20 CHED C(=NNc1nccnc1C1CCC1)c1scnc1C1CC1 807993118 UJRASXMZVUFNBN-UHFFFAOYSA-N 299.403 3.524 30 20 CHED N#Cc1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)nc1 563349992 KHJUOKVMERYTLW-IBGZPJMESA-N 289.382 3.605 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 295262173 KZHUJOZKUWDBCU-NSHDSACASA-N 291.395 3.507 30 20 CHED Fc1ccc(NN=Cc2ccc(C(F)(F)F)[nH]2)cc1 807942338 AJTPHDZCGOQZHX-UHFFFAOYSA-N 271.217 3.619 30 20 CHED C/C=C\c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 566696084 LMURWSGPIKYQRW-IHWYPQMZSA-N 292.338 3.609 30 20 CHED C=CCCCCNC(=O)[C@H](C)Cc1cncc2ccccc12 565088264 QMJASLRWJMRBAU-OAHLLOKOSA-N 296.414 3.886 30 20 CHED C=CC[C@@H](NC(=O)N1CCC2(CCC2)CC1)c1ccncc1 806818546 BDVMGVKMEWRCTJ-MRXNPFEDSA-N 299.418 3.675 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C)c(OCC)c1)OCC 569023274 FTEIMEUVOKQXJE-HNNXBMFYSA-N 291.391 3.704 30 20 CHED C#CCC1(OC(=O)c2cnc3ccccc3c2C)CCC1 810747937 MSMJVIVMWSSRRS-UHFFFAOYSA-N 279.339 3.646 30 20 CHED C=CCOc1ccc(C(=O)N(C)CCC(C)(C)C)cc1 648542889 PVSRBSHKSLKMJF-UHFFFAOYSA-N 275.392 3.760 30 20 CHED C(=NO[C@@H]1CCCCO1)c1ccc(C2CCC2)cc1 814887035 GMSZPLHKGGPCNN-MRXNPFEDSA-N 259.349 3.831 30 20 CHED C#CCCCCCC(=O)Oc1ccc(Cl)cc1OC 817484049 YLWOBMOFKGZYPZ-UHFFFAOYSA-N 280.751 3.838 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC[C@H](O)c1ccccc1F 819368136 MXDTZDXYMAXZJX-LPHOPBHVSA-N 299.389 3.636 30 20 CHED C=CCC(C)(C)C(=O)N1Cc2ccccc2[C@H](C)C1 814254195 RPLWMYNTCIMNNI-CYBMUJFWSA-N 257.377 3.735 30 20 CHED C/C(=C\c1ccc(C)cc1)C(=O)OC1(CC#N)CCC1 810857309 OOXYFKCSJSJCNJ-WYMLVPIESA-N 269.344 3.778 30 20 CHED N#CCC[C@@H](NC/C=C/c1ccncc1)c1ccccc1 487576206 SVVUQXCOQNZDKG-DUMMIQTOSA-N 277.371 3.729 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](C)[C@H](C)c1ccccc1 810469512 STESHSATAAGVGO-JKSUJKDBSA-N 291.394 3.519 30 20 CHED Oc1cccc(C=NNCc2cccc(Cl)c2)c1Cl 814867797 OHSKBAAPHLOCLC-UHFFFAOYSA-N 295.169 3.823 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 489377252 ZCNDMPWGBBWHOO-MRXNPFEDSA-N 270.376 3.743 30 20 CHED C(=NOCCC1CC1)c1cnc(-c2ccccc2)s1 814245813 JEFZHZYGBITNOC-UHFFFAOYSA-N 272.373 3.961 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1O[C@H](C)C#N 819479274 DQKTVSHREABRMF-MJBXVCDLSA-N 286.375 3.742 30 20 CHED CC[C@H](C)CON=C(C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814939114 FNLKRTPTKPQAAA-UHTWSYAYSA-N 269.385 3.562 30 20 CHED COc1cc(C(C)=NNc2ccc(C(C)(C)C)cc2)on1 814900971 QNQDFTKNLBAHQF-UHFFFAOYSA-N 287.363 3.817 30 20 CHED Cc1ccc(NN=Cc2ccc(Cl)cc2Cl)nn1 729936164 JPIGCGAJJAXFAX-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C=CCC1(c2nc(-c3ccc(Cl)o3)no2)CCC1 575162117 NGDLHOHXTZQFGY-UHFFFAOYSA-N 264.712 3.981 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N(C)CC(C)(C)C#N 823155969 RVWGBONGLLOTOU-INIZCTEOSA-N 286.419 3.572 30 20 CHED C=CCC[C@@H](NCc1c(OC)cccc1OC)C1CC1 658119493 OGFFWDACYUFGIK-OAHLLOKOSA-N 275.392 3.538 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCC[C@@H]1C 498120426 CYZMYVRUBQEZNC-GOEBONIOSA-N 290.407 3.598 30 20 CHED C[C@H](CCCC(F)(F)F)NCc1cc(C#N)cs1 494844215 GQJAWEZFBIAXAF-SECBINFHSA-N 276.327 3.830 30 20 CHED CCN(CCC#N)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 728611491 JDPKFITYIUSKBC-FMIVXFBMSA-N 284.403 3.759 30 20 CHED CCCCCCCCCCn1cnc2ncccc2c1=O 728704121 CORRTTFYKGOUQA-UHFFFAOYSA-N 287.407 3.932 30 20 CHED C[C@H]1C[C@H](CC(=O)N(C)CC(C)(C)C#N)CC(C)(C)C1 497439542 KTFUPYBQOQTWFQ-UONOGXRCSA-N 278.440 3.847 30 20 CHED C#CCN(C(=O)Nc1ccc2ccnc(Cl)c2c1)C1CC1 491383296 LKFPFGPABBHJBJ-UHFFFAOYSA-N 299.761 3.518 30 20 CHED CC#CCCNC(=O)Nc1ccccc1-c1ccccc1 497653916 YYTKSIXLLZXUOV-UHFFFAOYSA-N 278.355 3.889 30 20 CHED C=CCC1(NC(=O)NCc2sccc2C)CCCC1 663825106 VSNPQPWRMZSZDD-UHFFFAOYSA-N 278.421 3.745 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccc2c(c1)CCC2 828669766 QNBFZMNFWZTNDY-CYBMUJFWSA-N 254.377 3.520 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cncn1C(C)C)C2 901473308 BECWHUZYVSYEKR-ZSOIEALJSA-N 266.344 3.595 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)CCCC1(C#N)CCOCC1 499701465 BMRGNJXHRBKRAY-IRXDYDNUSA-N 292.467 3.988 30 20 CHED C=CCC[C@H](C)NC[C@H]1CCCc2ccc(C(=O)O)cc21 901871408 COKIHPZQPNRHSJ-XJKSGUPXSA-N 287.403 3.749 30 20 CHED O=C1/C(=C\c2cnc3ccc(Cl)cn23)Cc2ccccc21 737444210 PHOGSSNTXVREID-WQLSENKSSA-N 294.741 3.810 30 20 CHED CC(=NNc1c(F)cccc1F)c1cccc(F)c1 735614831 CIKISWRLQZVMSI-UHFFFAOYSA-N 264.250 3.940 30 20 CHED Cc1cccc(C(=O)/C=C/c2cncn2C(C)C)c1C 901476579 JPDZNWAXJNYGQT-CMDGGOBGSA-N 268.360 3.977 30 20 CHED CCOc1ccc(-c2ccc(F)c(C[C@H](C#N)CO)c2)cc1 904886761 GKKCFPIJQRBENJ-CYBMUJFWSA-N 299.345 3.566 30 20 CHED C#Cc1cccc(N(C(=O)c2ncoc2C(C)C)C(C)C)c1 731988412 SRGIDQHQWUAARS-UHFFFAOYSA-N 296.370 3.835 30 20 CHED C=CCC[C@@H](CC)N[C@H](C(=O)O)c1ccc(F)c(C)c1 901844368 UULFESGTDYSAPL-HIFRSBDPSA-N 279.355 3.594 30 20 CHED C#C[C@H](NCc1ccco1)c1ccc(Cl)cc1F 491303688 BTHJBJKKLOYFSG-AWEZNQCLSA-N 263.699 3.536 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccccc1SC 588618393 QEHBXISYAOAPEF-HJWRWDBZSA-N 272.373 3.521 30 20 CHED C=C(C)CCN[C@H](CO)c1cccc(Cl)c1Cl 662050239 FPTADZMEHQRLJG-GFCCVEGCSA-N 274.191 3.583 30 20 CHED C=CCCNC(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 665941291 WUXCIVBKOVDFRR-YCPHGPKFSA-N 272.392 3.539 30 20 CHED COc1cccc2c1CC/C(=C/c1cncn1C(C)C)C2=O 901504873 PFZHRGBLWZQZHP-LCYFTJDESA-N 296.370 3.685 30 20 CHED CCOC(=O)C(C)(C)ON=C[C@H](C)c1cccc(Cl)c1 835005244 ULZFPJPNCQQBCZ-NSHDSACASA-N 297.782 3.788 30 20 CHED CC(C)CC1(C)CCN(c2ncccc2C#N)CC1 582442180 KADGJZCBKRSBGO-UHFFFAOYSA-N 257.381 3.606 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nc(O)cc(-c3ccccc3)n2)C1 901615804 IMLFNKRSJDWBIU-WCQYABFASA-N 297.383 3.634 30 20 CHED CC[C@@H](NCc1cncc(C)c1)c1cccc(C#N)c1 902890009 VKWMJPLYOVJWIT-QGZVFWFLSA-N 265.360 3.503 30 20 CHED N#CC1(CCCOc2ccc3cnccc3c2)CCOCC1 902639052 SNIJGPSFSHQQBX-UHFFFAOYSA-N 296.370 3.714 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@H](CC(C)(C)C)C2)c1 836252949 CSEZYVKOFYKKPB-OAHLLOKOSA-N 284.403 3.958 30 20 CHED N#Cc1ccnc(CSCCCCC(F)(F)F)c1 901777167 XBKFOHNCRVNBQM-UHFFFAOYSA-N 274.311 3.919 30 20 CHED CC(CCc1ccccc1F)=NNc1ccc(F)cn1 734096399 NDVYXWRMNBTSAE-UHFFFAOYSA-N 275.302 3.780 30 20 CHED C#CCC[C@@H](C)OC(=O)c1nc2ccccc2cc1Cl 839039618 GFTGLQWVLRGKQS-LLVKDONJSA-N 287.746 3.847 30 20 CHED C=CCC[C@@H](O)CN1CCc2ccccc2[C@@H]1C(C)C 675643401 INVTUAOUYCUXQI-AEFFLSMTSA-N 273.420 3.569 30 20 CHED C=CCC[C@@H](NC1CCC2(CCCCC2)CC1)C(=O)O 901690800 SQYOKQDLOBIKGO-OAHLLOKOSA-N 279.424 3.889 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2NCC2(C#N)CC2)cc1 584875997 LUYGCTZADQVQRM-CVEARBPZSA-N 254.377 3.525 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 589348010 BYDNLMCALAMYJB-LLVKDONJSA-N 275.327 3.564 30 20 CHED C=CCCCOC(=O)c1cc(CC=C)c(OC)c(OC)c1 735527256 FVJUSJYAKLJZDZ-UHFFFAOYSA-N 290.359 3.555 30 20 CHED C=CCCCOC(=O)C[C@H](C)c1ccc(F)cc1 735536540 QGLNYXGMOXPYDJ-LBPRGKRZSA-N 250.313 3.829 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1 733083425 RCMKYOMKUKLNTC-HEHGZKQESA-N 286.444 3.779 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)[C@H](F)CC2CCCCC2)C1 839060902 ZORHMQKUOAVWKC-QLFBSQMISA-N 281.371 3.920 30 20 CHED CC(=NNc1ccccn1)c1cnc2ccsc2c1 739400136 MBNUKYHGKRXMEY-UHFFFAOYSA-N 268.345 3.527 30 20 CHED C=CCC1(C(=O)Nc2ccc(COC)cc2)CCCC1 830563858 MQYTVUKHMXZUNC-UHFFFAOYSA-N 273.376 3.908 30 20 CHED C=C(CNc1ccc(OC(F)F)cn1)c1ccccc1 673461409 JRCGWDIALJQKMP-UHFFFAOYSA-N 276.286 3.808 30 20 CHED C[C@@H](C=NNc1ncccc1Cl)c1ccccc1 917549140 JEKIXVXABCNAKE-NSHDSACASA-N 259.740 3.936 30 20 CHED N#CCc1ccc(-c2ccccc2OC[C@@H]2CCOC2)s1 592985966 JMOCHDNUBKDZHP-CYBMUJFWSA-N 299.395 3.896 30 20 CHED C=CCC1(C(=O)OCc2cc(C)no2)CCCCC1 838151753 TVJWSGUBXUSUNG-UHFFFAOYSA-N 263.337 3.553 30 20 CHED N#CC1(Cc2nc(CCC(F)(F)F)no2)CCCCC1 596583805 PFQOISJJIXIZQM-UHFFFAOYSA-N 287.285 3.581 30 20 CHED CCC(=NNc1ccc(C)cc1Cl)c1ccn(C)n1 835011719 MXANNBBGWDBKTH-UHFFFAOYSA-N 276.771 3.608 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(C#N)c(F)c1 595061050 XPUNKQPEHDTAPW-LBPRGKRZSA-N 278.396 3.657 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cc2c(F)cccc2s1 747744132 VOKSMTXELNIRJL-NSHDSACASA-N 277.320 3.745 30 20 CHED Cc1nc2sccn2c1C=NOC/C=C\c1ccccc1 742360172 XFDAGWCAUVJQGT-BWHUIEBASA-N 297.383 3.768 30 20 CHED CCc1ccc(C)nc1NC(=O)CC1(C#N)CCCCC1 598759243 CIWWVEBLTUEVAW-UHFFFAOYSA-N 285.391 3.755 30 20 CHED C=C(C)CNC(=S)Nc1cccc(C)c1Cl 745182573 WPPFJNLZEMXTKE-UHFFFAOYSA-N 254.786 3.511 30 20 CHED N#Cc1cc2c(nc1SC/C=C\Cl)CCCC2 913608960 OLNKYGQIOMHGFW-UTCJRWHESA-N 264.781 3.677 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1cnc(C)nc1C 741459407 DHLHOWWEXQFTGF-UHFFFAOYSA-N 292.745 3.722 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2ccc(F)cn2)cc1 747631797 XPNODWMINVQAIO-LLVKDONJSA-N 287.338 3.821 30 20 CHED N#CC1(CSCc2cccnc2Cl)CCC1 842193149 GFDXKYYZMZNMFT-UHFFFAOYSA-N 252.770 3.662 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(C3CC3)cc2)cn1 840719388 SRQZORTZCUJJNU-YHYXMXQVSA-N 266.344 3.677 30 20 CHED Cc1cc(F)cc(NC(=O)CC2(C#N)CCCCC2)c1 597414695 HFBJIYBCRBKYQG-UHFFFAOYSA-N 274.339 3.937 30 20 CHED CCCCCCCCOCC(=O)Nc1cccc(O)c1 747699759 WVJJDPQLBWCXLH-UHFFFAOYSA-N 279.380 3.708 30 20 CHED C=C(C)COC(=O)Cc1sc(C)nc1-c1cccs1 916601931 HZXIZQKQRSNTHH-UHFFFAOYSA-N 293.413 3.842 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(OC(C)C)c(C)c1 743193234 BIENXTCFLAEKCX-UHFFFAOYSA-N 282.771 3.656 30 20 CHED CC1(C)C[C@H](Nc2ccc(C#N)nc2)c2cc(F)ccc2O1 593495793 JBUKISORCLDECR-HNNXBMFYSA-N 297.333 3.807 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1ccc(O)cc1 916134892 UHXDATHMPOVADT-WMZJFQQLSA-N 275.307 3.837 30 20 CHED CCCc1nsc(Oc2c(Cl)cc(F)cc2C#N)n1 596446798 OLPAJZJEQRXMLW-UHFFFAOYSA-N 297.742 3.947 30 20 CHED CSCc1cccc(-c2cccc(C[C@H](C#N)CO)c2)c1 592987192 WPJHZOXWDZFVMF-MRXNPFEDSA-N 297.423 3.891 30 20 CHED COCC(=NOCc1ccc(C(F)(F)F)cc1)C1CC1 746575633 FUHUDWVHWCNWIZ-UHFFFAOYSA-N 287.281 3.634 30 20 CHED CSCC1(CCN[C@@H](C)c2ccc(C#N)cc2)CC1 594711995 ORBJWNWCZGHCOI-ZDUSSCGKSA-N 274.433 3.742 30 20 CHED C[C@@H]1CCN(C[C@@H](O)CC(C)(C)C#N)CC12CCCCC2 598603800 GWSHSSIPCKAUBL-CVEARBPZSA-N 292.467 3.579 30 20 CHED CC[C@@](C)(C#N)C(=O)OCC[C@@H]1CCc2ccccc21 849775374 IKSMVTORCDKNNZ-YOEHRIQHSA-N 271.360 3.590 30 20 CHED COc1ccc(C)cc1/C=C\C(=O)c1ccc2c(c1)OCO2 747003904 USSUGCZWGMAFOR-XQRVVYSFSA-N 296.322 3.628 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc2ccn(C(F)F)c2c1 598061137 IMZWJUONKSINIP-VIFPVBQESA-N 277.274 3.525 30 20 CHED CC(=NNc1cccc(Cl)c1Cl)[C@H]1CCCO1 841644677 JTFAKJKUAQTYOV-LLVKDONJSA-N 273.163 3.960 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2sccc2C1 682359944 CTVOZQWFEMAGIQ-HNNXBMFYSA-N 263.406 3.625 30 20 CHED Cc1cc(C#N)ccc1COC(=O)/C=C\c1ccccc1 748905555 BMFCSLMNIDUGAD-NTMALXAHSA-N 277.323 3.623 30 20 CHED Cc1c(NN=C2CCC[C@H]2CCF)cccc1C(=O)O 844622216 ACTUQVQWXGEDDC-NSHDSACASA-N 278.327 3.621 30 20 CHED C#CCOc1ccc(F)cc1NCc1cccc(C)c1 742260320 COGWCEICXZUPNX-UHFFFAOYSA-N 269.319 3.758 30 20 CHED Cc1ccc(C=NN[C@H](C)c2ccccc2)cc1C 920382726 MVHLRPMOZNYCBH-OAHLLOKOSA-N 252.361 3.988 30 20 CHED CC(C)(CCC(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 928222168 QRTZBTIXCOSMAM-HNNXBMFYSA-N 284.403 3.507 30 20 CHED C=CC[C@H](OC(=O)CC1(COC)CC1)c1ccccc1 842765090 DMJMHMCMZDLEDR-HNNXBMFYSA-N 274.360 3.664 30 20 CHED C=CC[C@@H](CC)NC(=O)C1(c2cccc(C)c2)CCC1 684939847 WWRZAKQIFSZNHO-MRXNPFEDSA-N 271.404 3.888 30 20 CHED CCOc1ccc(C=Nc2ccccc2OC)c(O)c1 920943594 SHMBSUFLJZQEQZ-UHFFFAOYSA-N 271.316 3.550 30 20 CHED C=CCOc1ccc(-c2nc(CCC3CC3)no2)cc1 680800499 WZVDUGZJICKXMO-UHFFFAOYSA-N 270.332 3.644 30 20 CHED C=C(Cl)CN1CCC2(CCc3ccccc3O2)CC1 852672300 BSVIABACYIHTTP-UHFFFAOYSA-N 277.795 3.599 30 20 CHED CC(=NNc1ccc(C(F)(F)F)nn1)c1ccccc1C 754711061 RQPHVANANSINNM-UHFFFAOYSA-N 294.280 3.640 30 20 CHED CC[C@H](C)c1ccc(C(=O)Nc2ccncc2C#N)cc1 755293256 KNBQXYQLXGLCEE-LBPRGKRZSA-N 279.343 3.719 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1csc2ccccc12 754735668 JGVVGOOHWWANDH-CHWSQXEVSA-N 275.417 3.879 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@@H](O)c1ccc(Cl)cc1 856374147 PTQSPAGPSIRSPE-CQSZACIVSA-N 295.810 3.625 30 20 CHED CC(=NNc1ccc(C)nn1)c1sc(C(C)C)nc1C 751133116 LZOAWHDCSVZXSZ-UHFFFAOYSA-N 289.408 3.509 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(N)cc1C 758115245 BNBDWUPZTCWQBN-ZDUSSCGKSA-N 267.376 3.652 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(N2CCCC2)c(C)c1 858242662 YYIJHSOBVGAABP-UHFFFAOYSA-N 299.418 3.864 30 20 CHED C=CC(C)(C)CCOC(=O)CC(C)(C)CC(C)=O 851300292 QARGDBKPMYTOMU-UHFFFAOYSA-N 254.370 3.527 30 20 CHED N#Cc1ccccc1/C=C1\Cc2c(F)ccc(F)c2C1=O 755599225 OGXVGBXIXYQJRC-KPKJPENVSA-N 281.261 3.659 30 20 CHED COCCOc1ccc(/C=C2\CCCC(C)(C)C2=O)cc1 757535782 VRIHPPOAVLVLCU-FYWRMAATSA-N 288.387 3.874 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C\c2ccc(OC)cc2)C1 855441136 VOROVQLNRWCJIL-HMWXGYMHSA-N 285.387 3.523 30 20 CHED COc1cccc2cc(C=NN3CCCC[C@@H]3C)oc12 853378544 FYXCNIUXVSPELJ-LBPRGKRZSA-N 272.348 3.650 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H]1C(C)C)c1ccccc1 757057592 JOLTVUVQIBIYNC-DLBZAZTESA-N 284.403 3.581 30 20 CHED CCCNN=Cc1cccc(OCc2ccccc2F)c1 920374275 WLZKRHKAJWIVAA-UHFFFAOYSA-N 286.350 3.738 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC(C2CC2)CC1 930458269 NTOKTKWTLAHWCX-UHFFFAOYSA-N 283.375 3.521 30 20 CHED CSc1nc2ccc(NC(=O)C#CC(C)C)cc2s1 854194515 FEGSUNLRSWUDPG-UHFFFAOYSA-N 290.413 3.616 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(F)c2F)c(O)c1 757472773 SMYYNUMMECLFKG-YVMONPNESA-N 290.265 3.575 30 20 CHED Cn1cccc1C=NNc1cc(C(F)(F)F)ccc1F 753947023 NRNZBSHAQNJGKH-UHFFFAOYSA-N 285.244 3.629 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](c1ccccc1)c1cccnc1 931891802 VQULJMCGDNFFKA-HNAYVOBHSA-N 294.398 3.890 30 20 CHED CC(C)CCO[C@@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 764615142 VHRMFGNDJNYHLL-KGLIPLIRSA-N 289.375 3.614 30 20 CHED OCCNN=Cc1c2ccccc2c(Cl)c2ccccc12 864346210 QPXOEUAKDIRPSM-UHFFFAOYSA-N 298.773 3.562 30 20 CHED C=CCCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 763000370 PNBNRQVMBMLBOT-UHFFFAOYSA-N 295.310 3.521 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](c1ccccc1)c1ccncc1 931858236 WVRQNGYUMXCMJG-BEFAXECRSA-N 294.398 3.890 30 20 CHED C/C=C(/C=C\C(=O)N(CCC#N)CC(C)(C)C)CC 765425785 BFXTVNXQGBPEAG-CHPBBVCSSA-N 262.397 3.687 30 20 CHED CCSCCSCc1cn2ccccc2c1C#N 760515646 NUEFFUMNGIJRAY-UHFFFAOYSA-N 276.430 3.797 30 20 CHED C[C@H]1CN(CCCCC2(C#N)CCC2)CCC1(F)F 930512938 SFBMXYMOXHOTOV-ZDUSSCGKSA-N 270.367 3.828 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 931355491 SJQDUGIQZLAEKQ-HOCLYGCPSA-N 287.403 3.613 30 20 CHED CC(Cc1ccncc1)=NNc1ccc(OC(F)F)cc1 767783098 PHYSJPIITGIDMZ-UHFFFAOYSA-N 291.301 3.714 30 20 CHED COc1cc(F)ccc1NN=C(C)C1CCCC1 761884195 BHCBFGPXJYZPBW-UHFFFAOYSA-N 250.317 3.812 30 20 CHED C[C@H](C#N)OC(=O)CC(c1ccccc1)c1ccccc1 765949165 PYFNKGLGYWDQMQ-CQSZACIVSA-N 279.339 3.664 30 20 CHED Fc1ccc(NN=C2CC[C@@H]2c2ccccc2)nc1 769779585 NYOBCDAFCOBPBS-CYBMUJFWSA-N 255.296 3.566 30 20 CHED C#C[C@@H](C)N(C)C(=O)CCCc1ccc(Cl)c(Cl)c1 767231536 CQHJDHIRPUKOFF-LLVKDONJSA-N 298.213 3.796 30 20 CHED Clc1ccc(CNN=Cc2ccsc2)cc1 764719393 XIFMPPIJBJIXER-UHFFFAOYSA-N 250.754 3.525 30 20 CHED C[C@@]1(C(=O)OC[C@H](C#N)Cc2ccccc2)C[C@H]2CC[C@H]1C2 860592089 KEZPVEFHIVXUFH-LSTDLKDCSA-N 297.398 3.738 30 20 CHED CCOc1ccc(O)c(C=Nc2cc(F)cc(OC)c2)c1 1116260038 CFTZLGHUSSEFLF-UHFFFAOYSA-N 289.306 3.689 30 20 CHED Cc1ccc(OC(=O)CC(C)(C)C#N)c2c1[C@@H](C)CC2=O 1116815572 RTQHCLULBBZERX-NSHDSACASA-N 285.343 3.530 30 20 CHED CCCc1cccc(CNCc2ccc(C#N)cc2)c1 775306539 NDZQXOUBOGOAHQ-UHFFFAOYSA-N 264.372 3.801 30 20 CHED C[C@H](C#N)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 770950188 OFVAEKRFYNCOPQ-DVVUODLYSA-N 298.169 3.800 30 20 CHED C=CCC[C@H](CC)N[C@H](C)[C@H](O)c1cccc(F)c1 773038908 KODAXMRVGNSCDL-KCXAZCMYSA-N 265.372 3.582 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2occ(C)c2C)cc1 1118369332 BDJOQIFFEMYSOW-MRXNPFEDSA-N 296.370 3.796 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H](c1cccnc1)C(C)C 879107113 SCVFLKMHABFIOZ-HNNXBMFYSA-N 274.408 3.540 30 20 CHED N#CCC[C@@H](NCc1nc(Cl)cs1)c1ccccc1 877115115 BNOFLVSTPBASKA-GFCCVEGCSA-N 291.807 3.931 30 20 CHED C#C[C@H](C)NC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 772967270 VBSKJMVZXDFPSM-ZDUSSCGKSA-N 281.355 3.822 30 20 CHED CC(=NOC1CCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 774607163 CWTHUYQCTCKRMB-UHFFFAOYSA-N 286.375 3.600 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(CC(C)C)cc2)cnn1C 778516885 BECWPGQJKAJTGT-KTKRTIGZSA-N 282.387 3.823 30 20 CHED CC(C(=O)OCc1ccc(CC#N)cc1)=C1CCCC1 776110245 MNKIFRODTWOUJD-UHFFFAOYSA-N 269.344 3.686 30 20 CHED C[C@H](CCC#N)CN1CCCC[C@H]1[C@@H](O)c1ccccc1 876663609 ZGJJFTJKIXECPA-NJAFHUGGSA-N 286.419 3.514 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1sccc1O 771745464 UHAPSAGFUUQUIP-DAFODLJHSA-N 266.268 3.628 30 20 CHED CCCCCCCC(=O)O[C@@H]([C@H]1CCOC1)C(F)(F)F 778024659 NWLGYEIJSAMYOG-AAEUAGOBSA-N 296.329 3.858 30 20 CHED C#CCCCCCC(=O)Nc1cnc(Cl)cc1C 779986177 LCBAAZDJJIXFHY-UHFFFAOYSA-N 264.756 3.566 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)C1(F)CCCC1 773966965 PFPJJVOKBCXSBG-UHFFFAOYSA-N 278.323 3.611 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)NC1(C#N)CC1 775493060 UZMPWOGRRZIRJS-CQSZACIVSA-N 264.413 3.936 30 20 CHED C=C[C@@H](C(=O)NCC1CCC(F)(F)CC1)c1ccccc1 1123873061 SSTDQALRFHUSHS-OAHLLOKOSA-N 293.357 3.898 30 20 CHED C=CC(C)(C)CC(=O)OCc1nc2ccccc2nc1C 884651986 FZGLFXQFKUKYAT-UHFFFAOYSA-N 284.359 3.584 30 20 CHED CCCCCCCCCN(C)C(=O)c1cn(C)nc1CC 770692736 AVPTXWYGOICAJW-UHFFFAOYSA-N 293.455 3.805 30 20 CHED C[C@@H](C#N)CNN=C(CC(C)(C)C)c1ccccc1 771102015 CMRMAWSGFMIGMN-ZDUSSCGKSA-N 257.381 3.576 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@]1(C)CCc2ccccc2C1 776390810 IIMRPRSYFOWTHX-SFHVURJKSA-N 285.387 3.665 30 20 CHED C=C(C)CN(C)C(=O)NCC(C)(C)CCCCC 778698665 CPNHDGMFBUZKSG-UHFFFAOYSA-N 254.418 3.810 30 20 CHED C=CCC1(O)CCN(c2c(C)c(C)nc3ccccc23)CC1 884724143 JRPVXYYFKNMLNS-UHFFFAOYSA-N 296.414 3.759 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(OC)c2ccccc2c1 887079992 GLWACVCTZSHRNR-CYBMUJFWSA-N 299.370 3.768 30 20 CHED C=C(C)COC(=O)c1cc2ccccc2n1CC(F)(F)F 786327861 YPLIBSCZCBNQRU-UHFFFAOYSA-N 297.276 3.937 30 20 CHED C=C1CCC(C(=O)Nc2nc(C3CC3)cs2)CC1 888067698 QUVZWKVBZZYJMX-UHFFFAOYSA-N 262.378 3.705 30 20 CHED C=CCCCCCOC(=O)c1c(F)ccc([N+](=O)[O-])c1F 784054970 PKVCAEGEKGLUSN-UHFFFAOYSA-N 299.273 3.776 30 20 CHED CCCCCCCC(=O)Nc1ccc(OC)cc1O 785695773 IKROTUKFWVSGPF-UHFFFAOYSA-N 265.353 3.700 30 20 CHED CCCCC[C@@](C)(CC)C(=O)[C@H](C#N)c1nccn1C 1122607276 XXAYBLUPJZMYGT-XJKSGUPXSA-N 275.396 3.593 30 20 CHED COc1cc(C)ccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 781508044 QEFMUTQCTYOIMQ-CYBMUJFWSA-N 295.338 3.793 30 20 CHED C#CCCCCN[C@@H](COCc1ccccc1)C(C)C 783254549 QGCMXLGVVYLXAC-SFHVURJKSA-N 273.420 3.621 30 20 CHED COc1ccc(CCNN=Cc2cc(Cl)cs2)cc1 782232722 PNLZGNXYIYFCER-UHFFFAOYSA-N 294.807 3.576 30 20 CHED CC(=NOC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1 788035349 ZSBOLNSEEFATLJ-JTQLQIEISA-N 288.174 3.771 30 20 CHED CCC(C[C@H](C)CC)=NNCCC(=O)OC(C)(C)C 783863988 QLWNVJVFXOEGPE-GFCCVEGCSA-N 270.417 3.510 30 20 CHED CC(C)[C@H](Nc1cccc(Cl)c1C#N)c1cnn(C)c1 896432374 OGNAWKNEBUCDEE-HNNXBMFYSA-N 288.782 3.754 30 20 CHED C=C1CCC(C(=O)N2CCCc3cc(C#N)ccc32)CC1 891233666 SFHYEISZWSSDGK-UHFFFAOYSA-N 280.371 3.584 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NN[C@H]1CCOC(C)(C)C1 780245782 AXEXUKRCQYMSFX-KGLIPLIRSA-N 286.419 3.754 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1F)c1cncs1 787171802 CSCRWCHDGGHBSE-ZPUQHVIOSA-N 277.295 3.874 30 20 CHED CC(C)C[C@@H]1CCC[C@@H](NCc2ccc(C#N)cn2)C1 793153249 PBAQDYPWWAAIPG-GOEBONIOSA-N 271.408 3.648 30 20 CHED C[C@@H](NN=Cc1ccc2cnccc2c1)C(C)(C)C 793114322 KYZGQXHUOFFOAH-GFCCVEGCSA-N 255.365 3.593 30 20 CHED C#C[C@@H](C)NC(=O)c1ccccc1Oc1cccc(C)c1 799722991 XHVVXINABYXPHA-CQSZACIVSA-N 279.339 3.539 30 20 CHED N#Cc1ccc(N2CCC3(CCOCC3)CC2)c(Cl)c1 893740000 MNQYCTMQKNQKJA-UHFFFAOYSA-N 290.794 3.609 30 20 CHED CC[C@@H](CNc1n[nH]c(C2CC2)c1C#N)c1ccccc1 1202731571 MUIQZJGSLUXGPA-LBPRGKRZSA-N 280.375 3.764 30 20 CHED FC(F)(F)CCNN=Cc1ccc(Cl)c(Cl)c1 794552065 KEJLBZTZJUPYBQ-UHFFFAOYSA-N 285.096 3.869 30 20 CHED C=CC[C@@H](CC)Nc1ncnc2nc(SC)sc12 799324372 QKPFABIBZDMVHD-MRVPVSSYSA-N 280.422 3.575 30 20 CHED Cc1ccc(N(C)C(=O)c2cc(C#N)ccc2Cl)cc1 795955947 CDNRGCMLNRDPKI-UHFFFAOYSA-N 284.746 3.797 30 20 CHED CCNc1ccc(Cl)cc1C(=O)O[C@@H](C)C(C)(C)C#N 793177774 KGODFRASTUEIHH-JTQLQIEISA-N 294.782 3.867 30 20 CHED CC(=NNc1ncncc1F)c1ccc(Cl)c(Cl)c1 793214987 UOVRSUVFYWDPSK-UHFFFAOYSA-N 299.136 3.759 30 20 CHED Cc1ccc(OC(=O)c2cc(C#N)ccc2Cl)cc1 794836344 LBQOTGMLGKXLCG-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C=CCC1(C(=O)OCc2ccccc2OCC)CCC1 791560848 QHDLANBXXQIZIF-UHFFFAOYSA-N 274.360 3.875 30 20 CHED Cc1cncc(C(=O)/C=C\c2cc(C(=O)O)c(C)cc2C)c1 794945203 KXMZSQBFIQNUCU-PLNGDYQASA-N 295.338 3.601 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@H]1CCSC1 790598244 KPQOQTKGVHOGMF-YXHQGMJNSA-N 271.385 3.717 30 20 CHED CC(=NNCc1cccc(Cl)c1Cl)c1ccncc1 790182041 VRAQYBPDZSEMQF-UHFFFAOYSA-N 294.185 3.902 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)[nH]c1C 1142234049 PKFQGUMBIIAICX-KBPBESRZSA-N 287.407 3.531 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1ccc(C#N)cc1F 796332096 ATJZWMWGJFSJLH-MRXNPFEDSA-N 277.339 3.957 30 20 CHED COCCN(C)N=C(/C=C/c1ccccc1)c1ccccc1 794969503 GMOXAQULPJWRGF-UPTLGALWSA-N 294.398 3.682 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc2cc(O)ccc2c1 790183663 UPOLZPGOFQIFFU-LLVKDONJSA-N 256.349 3.658 30 20 CHED CC[C@@H]1CCC[C@@H]1CNCc1ccc(C#N)cc1F 1308407313 NPCWJLXJRTZNGX-ZIAGYGMSSA-N 260.356 3.613 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1CC1(CC#N)CC1 1307840818 XMXQMIJMPGVMPE-MRXNPFEDSA-N 272.367 3.965 30 20 CHED CC(C)[C@H]1CN(c2ncc(C#N)cc2Cl)[C@@H]1C(C)C 1307116085 DXCNJBIBJRCKSF-TZMCWYRMSA-N 277.799 3.723 30 20 CHED COc1cccc(COc2cccc(F)c2C#N)c1C 1307319447 IHMVRUWLPKRGPC-UHFFFAOYSA-N 271.291 3.593 30 20 CHED CCCCCCCCNC1CCN(CCC)CC1 59055239 ABDJESNLHQHMLS-UHFFFAOYSA-N 254.462 3.811 30 20 CHED CCOc1ccccc1C=NOCc1ccc(C#N)cc1 1317698981 AFHLQUIPQXISAZ-UHFFFAOYSA-N 280.327 3.508 30 20 CHED CC(C)(C)Oc1ccc(CCNc2ccc(C#N)nc2)cc1 1319392420 XXSSAWFKXGZIFH-UHFFFAOYSA-N 295.386 3.785 30 20 CHED CCN(Cc1ccc(C2CCC2)cc1)C[C@@H](C)C#N 507583008 NYBDNNSSPLMRRM-AWEZNQCLSA-N 256.393 3.936 30 20 CHED Cc1ccc(CNc2ccc(F)c(C#N)c2)cc1F 83429814 AMQGRPDJBWDCMH-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC(C)(C#N)CCCOc1ccc2c(c1)CCC2=O 186860297 JHCGXSBTZMKYFH-UHFFFAOYSA-N 257.333 3.524 30 20 CHED CCCC(CCC)NCc1cccc(OCC#N)c1 1323682578 YIYNLSAHJINBHM-UHFFFAOYSA-N 260.381 3.647 30 20 CHED Cc1ccc(C[C@H](C#N)c2ccc([N+](=O)[O-])cc2)cc1 57723274 GCMYHJAWYAWGJU-OAHLLOKOSA-N 266.300 3.753 30 20 CHED Cc1ccc(CC2CCN(c3cnccc3C#N)CC2)cc1 1327355488 XJTCATAOKVPZHG-UHFFFAOYSA-N 291.398 3.721 30 20 CHED COc1ccc(CCC(C)=NOC(C)(C)C)cc1O 1321093507 AGRFMVRFTNNACO-UHFFFAOYSA-N 265.353 3.524 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@H](C(C)(C)C)CC1 79343177 ZWWLSLFODZZWLF-AWEZNQCLSA-N 278.440 3.991 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2ccccc2OC)cc1 1320297895 AHKNCLPGAKHOBR-QGZVFWFLSA-N 297.398 3.653 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2csc(C#N)c2)c1 1324694479 WYNXXXQAFRZBAG-UHFFFAOYSA-N 284.384 3.593 30 20 CHED Cc1ccc(NN=C2CSC[C@@H]2C)cc1Cl 1321861169 PFZPJECBLLJGSA-VIFPVBQESA-N 254.786 3.799 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@H]3CCCC[C@H]3C2)c1 1320220594 QWRBETWAAGXCLK-PBHICJAKSA-N 282.387 3.777 30 20 CHED C=CCCSCCN[C@@H](C)c1cc(C)oc1C 595060585 VZNPMLKBVUQBSG-LBPRGKRZSA-N 253.411 3.856 30 20 CHED N#Cc1sc(NCCCC2CCC2)nc1Cl 689054337 FQSBFGUEJSJMKQ-UHFFFAOYSA-N 255.774 3.660 30 20 CHED C[C@@H](Cc1cccs1)Nc1cccc(OCC#N)c1 689918994 YCPQUKGGYLWMMC-LBPRGKRZSA-N 272.373 3.694 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCN(Cc2ccccc2)C1 695864613 NEIDCQKVIMVZJZ-SJLPKXTDSA-N 299.462 3.569 30 20 CHED COc1ccc(CN(C)c2cccc(C)c2)cc1C#N 87833354 DMYMOPWFRDBKSZ-UHFFFAOYSA-N 266.344 3.512 30 20 CHED CCO[C@@H](c1noc(-c2cccc(C#N)c2C)n1)C(C)C 1337834748 WRHBCERZRKGAFK-CQSZACIVSA-N 285.347 3.650 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C)n([C@H](C)CC)n1 1336218784 RKOFGPLHJNUIMX-UKRRQHHQSA-N 289.423 3.733 30 20 CHED C=CCCc1ccccc1NC(=O)c1cn(CCC)nc1C 1336482127 YKEZYKVGPVCIBN-UHFFFAOYSA-N 297.402 3.972 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1cc(C)ccc1OC 1339031454 WGMLHPNGDHZYQR-ZDUSSCGKSA-N 261.365 3.537 30 20 CHED CCO[C@@H]1C[C@H](NCCC2(C#N)CCCCC2)C12CCC2 1194447713 XHHZYEQOVPMQCH-JKSUJKDBSA-N 290.451 3.788 30 20 CHED C=C(CC)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 1348751146 WQMVQGQZDSWFRK-AAEUAGOBSA-N 283.293 3.644 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[C@H](SC)C1 1341797823 XNBWLOLMQUAVCZ-IHRRRGAJSA-N 284.469 3.657 30 20 CHED Cc1ccc(C(C)(C)C(=O)[C@H](C#N)c2cccc(F)n2)cc1 1347124333 OZAYKZDNOHXVDZ-CQSZACIVSA-N 296.345 3.683 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 1346550113 SUNHGQZNWHWDOE-QGZVFWFLSA-N 273.376 3.619 30 20 CHED C#CCC1(C(=O)N(C)[C@@H]2CC[C@H](SC)C2)CCCCC1 1343482118 XDOXLXUIEKXEGZ-CABCVRRESA-N 293.476 3.703 30 20 CHED N#Cc1ccnc(CN(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)c1 1190444715 AGPXQFWTMCZFAR-XIRDDKMYSA-N 295.430 3.744 30 20 CHED N#Cc1ccc(CNC(=O)c2ccc(C3CC3)cc2)cc1F 1194183891 YWUQIPXDUWUAON-UHFFFAOYSA-N 294.329 3.505 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1c1nnc(COc2ccc(C#N)cc2)o1 1261572801 ZEKDQYVXXHBNIT-RHSMWYFYSA-N 297.358 3.670 30 20 CHED C=C(Br)CN1CCC[C@H]1[C@H](C)CCC 1192174427 ROKNKWAVCZYSBU-PWSUYJOCSA-N 260.219 3.796 30 20 CHED N#C[C@H](C(=O)c1cc(F)cc(Cl)c1)c1cccc(F)n1 1344587453 QPOZUYFEQWMMBE-NSHDSACASA-N 292.672 3.503 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CC[C@H](C)[C@H]1CC 1351819186 MUHJIVVSLIUIMT-RWMBFGLXSA-N 294.468 3.513 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)[C@H](C)CC#N 1440153453 KWTPOKZCDQUQHB-GDBMZVCRSA-N 278.440 3.990 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)c1ccsn1)c1cccs1 1515587369 FWGHREJTAXTRAG-JOYOIKCWSA-N 292.385 3.652 30 20 CHED N#Cc1ccc(F)c(NC(=O)C2(C3CCCCC3)CC2)c1 1525019270 XLKJLWWRHAVWCE-UHFFFAOYSA-N 286.350 3.996 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc2c(c1)CCC2 1459604454 ZCFQGMIEWGKWFM-UHFFFAOYSA-N 270.420 3.937 30 20 CHED CCCCN(Cc1ccccc1F)c1cc(C#N)nc(C)n1 1458164037 SJAMCQLKTMCJTJ-UHFFFAOYSA-N 298.365 3.603 30 20 CHED Cc1cccc2nc(Oc3cccc(F)c3C#N)oc12 1458259370 HHNQIQPRKMGTEL-UHFFFAOYSA-N 268.247 3.939 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2ccc(C(F)F)cc2)c1 1608986075 YZAQMBARHGUSBO-ZZXKWVIFSA-N 292.237 3.812 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1Cl 1530589440 XAFWLGQGOSAFMR-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1462286724 ZCZBKFZWIJHKNR-ZYHUDNBSSA-N 292.329 3.991 30 20 CHED C=C(CNC(=O)N[C@@H](C)CCC(C)C)c1ccccc1 1477307397 RHSITCQNRYXVPY-HNNXBMFYSA-N 274.408 3.824 30 20 CHED N#Cc1ccc(OC2CN(CCC3CCCCC3)C2)cc1 1474569219 XZHLJWAVGKZJJB-UHFFFAOYSA-N 284.403 3.592 30 20 CHED C[C@@H](C#N)CN(C[C@@]1(C)C[C@@H]1c1ccccc1)C1CC1 1474359066 OPLFIUFCHFVYAM-BMGDILEWSA-N 268.404 3.804 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)Nc1cccc(C#N)c1C 1623221549 UBKOVDRFGPTSRJ-UHFFFAOYSA-N 291.354 3.770 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(O)cc(Cl)c1 1620923145 YEWSLBZKUKDOCB-QGZVFWFLSA-N 298.773 3.694 30 20 CHED CCCOc1ccc(Nc2ncc(C#N)cc2F)cc1C 1559250446 YTDXQBFFFNVHCK-UHFFFAOYSA-N 285.322 3.933 30 20 CHED CCN(CCNc1ccc(C#N)c(C)n1)c1cccc(C)c1 1641983484 XLVPFHOLHRVLKB-UHFFFAOYSA-N 294.402 3.509 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(SC)cc2)c1 106059217 BTKHVJFKRJJKNX-UHFFFAOYSA-N 267.353 3.642 30 20 CHED N#Cc1cc(Cl)ccc1SC[C@@H]1CCC[C@H](O)C1 1652691449 DBZXNYKZKPGMHY-MFKMUULPSA-N 281.808 3.855 30 20 CHED CCc1cccc2cc(CN(CC)C[C@@H](C)C#N)oc12 1659132509 MNYNXEUAZTVZOF-ZDUSSCGKSA-N 270.376 3.977 30 20 CHED CCc1ccc2c(c1)CCN(Cc1ccc(F)cc1C#N)C2 1655919452 SRURWMVFNLPSFI-UHFFFAOYSA-N 294.373 3.818 30 20 CHED N#Cc1ccccc1N1CCCN(CCCC2CCC2)CC1 1657188193 RGFCSEFCZKXPHE-UHFFFAOYSA-N 297.446 3.651 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc(C(=O)O)c1)c1ccccc1 1588720984 KIEXSUPNGPIIOE-MRXNPFEDSA-N 295.338 3.683 30 20 CHED CCCc1ccc(C(=O)/C=C\c2ccoc2C(=O)O)cc1 1596058417 KUYNIVGRQPYCOI-HJWRWDBZSA-N 284.311 3.826 30 20 CHED C=CC[C@H](NCc1ccc(C2CCCCC2)cc1)C(=O)O 1776152496 NPDJWKVWBHSFLL-KRWDZBQOSA-N 287.403 3.853 30 20 CHED Cc1ccc([C@H](NC(=O)c2cccc(C#N)c2)C2CC2)cc1 14709031 YSOZWTVTEPWBAH-SFHVURJKSA-N 290.366 3.748 30 20 CHED C=CCNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 206873340 LKOITONWHLQNTG-NTMALXAHSA-N 287.359 3.870 30 20 CHED C=CCOc1cccc(NC(=O)C[C@H](C)c2ccncc2)c1 160220158 KVQFCCAFBFUZPL-AWEZNQCLSA-N 296.370 3.779 30 20 CHED Cc1cccc(C)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1 151656919 UWCDQHHOJWHPHN-AWEZNQCLSA-N 278.355 3.666 30 20 CHED CCCCS[C@H](C)C(=O)N(CC)c1ccc(C#N)cc1 152100304 LMGAGOUNSOQFQB-CYBMUJFWSA-N 290.432 3.833 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 153549166 OXLRLLRGCGWXDK-JTQLQIEISA-N 286.297 3.594 30 20 CHED CCOc1ccc(OCC)c(NCc2ccc(C#N)o2)c1 157478237 ZMJSJZVIHPDRPP-UHFFFAOYSA-N 286.331 3.561 30 20 CHED N#Cc1cccnc1N[C@H]1C[C@H]1c1c(F)cccc1Cl 156689242 XYGJCIFXNWXQAR-MFKMUULPSA-N 287.725 3.714 30 20 CHED C=CCN(C)C(=O)N[C@H](C)CCC1CCCCC1 154903336 HADQQIHJIIOURP-CYBMUJFWSA-N 252.402 3.563 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c(C)c1 6342324 LBVOQEBLCOHJEG-FNORWQNLSA-N 294.350 3.971 30 20 CHED C#Cc1ccc(CN[C@@H]2CCc3c(C)cccc32)cc1 809615510 GIGCKXXKAHTJSM-LJQANCHMSA-N 261.368 3.753 30 20 CHED C#Cc1cccc(CNCc2cccc(C3CC3)c2)c1 817409212 DKZKWUHWQVMWAD-UHFFFAOYSA-N 261.368 3.835 30 20 CHED CC(C)(C#N)CCCCN1CCc2ccccc2C1 232531876 LFIGVJQNYCJZMX-UHFFFAOYSA-N 256.393 3.765 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@](C)(CO)C1 151429791 HOJCGYSSPAKDJW-QGZVFWFLSA-N 283.456 3.748 30 20 CHED C#CCCCCNC(=O)CCSc1ccccc1Cl 156199611 AXJFMMWCRRIVAK-UHFFFAOYSA-N 295.835 3.742 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@H](C#N)C1CCCCC1 40360127 WCVBVJPNOKOSCM-UKRRQHHQSA-N 264.413 3.791 30 20 CHED Cc1ccc(C(C)C)cc1Oc1ccc(C#N)nn1 301914294 IBERDDIOLSZUTC-UHFFFAOYSA-N 253.305 3.572 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1ccc(F)c(C#N)c1 195206242 ZIIJQHMBXIGVHN-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1nc(NCCCCOC(C)C)c(Cl)cc1C#N 336816977 OAEZKDIPWKWUNX-UHFFFAOYSA-N 281.787 3.532 30 20 CHED CCc1ccccc1CN1CCC(CCC#N)CC1 573484097 UBXVLORJPNCAPL-UHFFFAOYSA-N 256.393 3.765 30 20 CHED CCCCCCCCCN1CC(F)(F)C[C@H]1C(=O)O 713587663 RSSSODCXERKIJY-LBPRGKRZSA-N 277.355 3.531 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2cc(C#N)cc(Cl)n2)CCO1 721832596 KQUVVOLLNVAMGX-NEPJUHHUSA-N 293.798 3.612 30 20 CHED C[C@@H](CCC1CC1)N[C@H](C)c1ccc(OCC#N)cc1 398135171 XLHSKDWZCNNZAW-UONOGXRCSA-N 272.392 3.818 30 20 CHED C=CCCC[C@H](C)N[C@@H](C(=O)OCC)c1ccccc1 398174384 MGDRBEJGRSLZLU-GOEBONIOSA-N 275.392 3.625 30 20 CHED Cc1cccc(NCc2ccc(CC#N)cc2)c1C 398947975 BXQUKUGUELPKGT-UHFFFAOYSA-N 250.345 3.982 30 20 CHED C=C(Cl)CNC(=O)N(Cc1ccccc1)CC(C)C 736398721 DRMTYPXFAUNVOV-UHFFFAOYSA-N 280.799 3.607 30 20 CHED C=C(C)CN(CC)C(=S)Nc1ccc(C)c(C)c1 6350007 GTADHINIHXTTEW-UHFFFAOYSA-N 262.422 3.898 30 20 CHED CCc1nc2cc(NC(=O)C3(C#N)CCCCC3)ccc2o1 57432777 UZLBNJLGLAFTMV-UHFFFAOYSA-N 297.358 3.803 30 20 CHED C[C@H](OC(=O)CC[C@H]1CCCCO1)c1ccc(C#N)cc1 175802839 LLWFSFXVQSOSPF-XJKSGUPXSA-N 287.359 3.512 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1OC(C)C 105946114 QYFOWGJFJXQJIS-UHFFFAOYSA-N 261.365 3.512 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)c2ccccc2F)c1 108960107 FWIPOKGOPCWLME-LBPRGKRZSA-N 267.303 3.549 30 20 CHED CCCCCC[C@@H](C)C(=O)N(CC)C[C@@H](C)C#N 173123810 HFRKQOYTXRRRAF-UONOGXRCSA-N 252.402 3.601 30 20 CHED CCCCCCCNC(=O)/C=C\c1cccs1 108365614 KDNMZNFMQWJZCY-KTKRTIGZSA-N 251.395 3.848 30 20 CHED CC(C)(CC(=O)OCC1(CC#N)CC1)c1ccccc1 174743842 WPXJBDAKALNHSJ-UHFFFAOYSA-N 271.360 3.591 30 20 CHED COc1ccc([C@H]2CCCN2CCCCC#N)c(OC)c1 57621097 FHDPTMUOKMPRQB-MRXNPFEDSA-N 288.391 3.535 30 20 CHED CC[C@H]1CCN(Cc2ccc(Br)cc2C#N)C1 310353791 HPPOMUHBFNFXLO-NSHDSACASA-N 293.208 3.553 30 20 CHED N#Cc1cccnc1NCC1(Sc2ccccc2)CC1 68773311 HMTUTSXKLFPCSC-UHFFFAOYSA-N 281.384 3.690 30 20 CHED CCN(C[C@@H]1CC[C@@H](C)O1)[C@H](C)c1ccc(C#N)cc1 248889977 IBFRWFXMKJDATD-CPUCHLNUSA-N 272.392 3.509 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(F)c(C#N)c1 102955005 ZOVOBAVJPPQAGG-NHYWBVRUSA-N 289.354 3.740 30 20 CHED C=C[C@H](CC(=O)N(C)[C@@H](C)c1cccnc1)c1ccccc1 119808427 JTOAZYPXCCJMJA-JKSUJKDBSA-N 294.398 3.961 30 20 CHED C=CCN1CCC(N[C@@H](Cc2cccc(C)c2)C2CC2)CC1 177913257 QPHUEDKJIRWAQW-FQEVSTJZSA-N 298.474 3.556 30 20 CHED CN(CC#Cc1ccc(Cl)cc1)Cc1ccccc1O 177154104 NYPDPMNLVBGLSI-UHFFFAOYSA-N 285.774 3.529 30 20 CHED CCCCOc1cccc(CNCc2ccc(C#N)o2)c1 174275699 JXHYPBXFYUXTPK-UHFFFAOYSA-N 284.359 3.620 30 20 CHED C=CCSCCNC(=O)Nc1cccc(C(F)F)c1 171396898 FTXQMZCMRBOPIZ-UHFFFAOYSA-N 286.347 3.665 30 20 CHED C=CCOc1ccc(OCc2nc(CCCC)no2)cc1 174233135 PBPCUSQTAVOGBS-UHFFFAOYSA-N 288.347 3.556 30 20 CHED Cc1ccc(C)c(C(=O)COc2ccc(C#N)c(F)c2)c1 113649854 QHTTUAUWKDGPJQ-UHFFFAOYSA-N 283.302 3.576 30 20 CHED CC(C)[C@H](C)C(=O)Nc1ccccc1SCCC#N 171942486 PJXDWJSGDOAWTM-LBPRGKRZSA-N 276.405 3.923 30 20 CHED CCc1oc2ccccc2c1CN(C)c1ccc(C#N)nc1 301604276 XOCWSEIUKMCQBM-UHFFFAOYSA-N 291.354 3.898 30 20 CHED C/C(=C\c1ccccc1)CNCc1ccc(OCC#N)cc1 171769207 YBKFATAYNNCKBO-DTQAZKPQSA-N 292.382 3.782 30 20 CHED C#CCOc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1 303908822 QYRLABWWYAGHOP-UHFFFAOYSA-N 287.403 3.643 30 20 CHED CCn1cc(C(=O)/C=C/C(C)=C/c2ccccc2)cn1 60349791 FVMKTPYUTKHOQS-QDCWQMMGSA-N 266.344 3.745 30 20 CHED N#CCCCN[C@H]1CCCC[C@H]1Cc1ccccc1 119097242 CRNLYBFDTJVAEO-IRXDYDNUSA-N 256.393 3.681 30 20 CHED CCCCO[C@H]1C[C@H](N(C)CCCCC#N)C1(C)C 177736961 BSXXBDHKAGBPCM-GJZGRUSLSA-N 266.429 3.596 30 20 CHED CN(C)[C@@H](CNc1c(Cl)cccc1C#N)c1ccccc1 301344037 HERSQSASQMTMOR-INIZCTEOSA-N 299.805 3.926 30 20 CHED CCOc1ccccc1NC(=O)Nc1cc(C#N)ccc1C 172220262 AQVWGWINCIUUMF-UHFFFAOYSA-N 295.342 3.909 30 20 CHED C=CCCCC(=O)Nc1cccc(-c2nnc(CC)o2)c1 176249556 QZRKJYPMHSIGOG-UHFFFAOYSA-N 285.347 3.594 30 20 CHED C=C(C)COCC/N=C(\N)Nc1ccc([C@H](C)CC)cc1 305036415 BLBFZQSOLIRVPN-CQSZACIVSA-N 289.423 3.519 30 20 CHED CCn1c2ccccc2c2cc(CNCCC#N)ccc21 35161413 MVHSJNODRXEJHF-UHFFFAOYSA-N 277.371 3.818 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc2c(c1)CCC2 121603577 CKBFMDJPRUIDPV-UHFFFAOYSA-N 284.403 3.768 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccc(C)s1 181427798 BTMHEUSVPDNBQN-GFCCVEGCSA-N 280.437 3.943 30 20 CHED C=CCN1CCC(N[C@@H](c2ccccc2)c2ccco2)CC1 183562639 RTHMWXRUSNLVQR-IBGZPJMESA-N 296.414 3.609 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C 180179017 VWJMDKXBRSPVEL-GHMZBOCLSA-N 277.799 3.842 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 77877948 CUJVZHZCJKUYRX-LSDHHAIUSA-N 290.794 3.580 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(O)cc2)cnn1C(C)(C)C 188870697 VECIBGFWIONPGE-JXMROGBWSA-N 284.359 3.548 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)NCCC(C)(F)F 413572669 KRQWUMMQLBDCBN-CQSZACIVSA-N 296.361 3.518 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)s1 211709216 QGTMEGJJSGYQPP-FPLPWBNLSA-N 253.326 3.824 30 20 CHED C=CCSCCNc1ccc(Cl)cc1C#N 218870732 RXPDPBPWKZUXMW-UHFFFAOYSA-N 252.770 3.543 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1CCCC1(C#N)CCOCC1 410378567 MVEXHINGNJCXAL-SJORKVTESA-N 292.467 3.988 30 20 CHED CC(=O)Nc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 37187615 QQTSDRNSDSWBRR-GFCCVEGCSA-N 279.343 3.690 30 20 CHED CCCCCN(CCCCC)C(=O)c1c[nH]c(C#N)c1 181223063 JDEAPYARDGDPBM-UHFFFAOYSA-N 275.396 3.709 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H](C)c1ccccc1 183167518 BURBCDMVMRCJOT-CYBMUJFWSA-N 264.328 3.609 30 20 CHED C=C(C)CN(C)C(=O)[C@H](CC)Oc1ccccc1Cl 180400428 NWGSQZHPBVDEFF-ZDUSSCGKSA-N 281.783 3.532 30 20 CHED CC1(C)Cc2cc(CNc3ccc(C#N)cc3)ccc2O1 71170116 APRDNEBWAGHVMO-UHFFFAOYSA-N 278.355 3.884 30 20 CHED CCO[C@@H]1CCCC[C@H]1NCCC1(C#N)CCCCC1 411802427 DKBHLVVAZJVUSW-HZPDHXFCSA-N 278.440 3.788 30 20 CHED C=CCC[C@@H]1NC(=O)N([C@@H](CCC=C)c2ccccc2)C1=O 419973450 HWWKFGJHNFJICU-HOTGVXAUSA-N 298.386 3.581 30 20 CHED COc1ccc2cc(CNCC3(C#N)CCC3)ccc2c1 418139006 HATRIIVQGIOFLT-UHFFFAOYSA-N 280.371 3.632 30 20 CHED Cc1ccnc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1C#N 343518934 SENWLBORQONSLV-BFHYXJOUSA-N 255.365 3.642 30 20 CHED C[C@@H]1C[C@]1(NCCCCC#N)c1ccc(Cl)cc1 503438081 ROPGHPPGZSVTJJ-IUODEOHRSA-N 262.784 3.859 30 20 CHED C=CCN(CC=C)Cc1ccccc1OCC(F)(F)F 505906631 DFKLRJCRAMJVGX-UHFFFAOYSA-N 285.309 3.802 30 20 CHED C=C(CNCc1ccc(COC)cc1)c1ccccc1 343760341 IHMZTJWUWOQSMG-UHFFFAOYSA-N 267.372 3.636 30 20 CHED C=CCn1c(CC(C)C)nnc1N1CCC[C@@H](C(C)C)C1 508923748 WFNWONBRMFGHEZ-OAHLLOKOSA-N 290.455 3.535 30 20 CHED Cc1cc(Cl)ccc1C(=O)[C@H](C#N)c1ccccn1 132201059 MCOMOMJRBQAZSB-CYBMUJFWSA-N 270.719 3.534 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1cccc(OCC)c1 191163174 LSOCTIDXTMWHDP-CXAGYDPISA-N 275.392 3.865 30 20 CHED O/C(=N/CCOc1ncccc1Cl)[C@H]1CC12CCCC2 329979670 KAZRNAIUFZIGAB-LLVKDONJSA-N 294.782 3.651 30 20 CHED N#CCCNC(=O)N[C@H](CC1CCCC1)c1ccccc1 426450899 OJTFQBCIAGYFJB-MRXNPFEDSA-N 285.391 3.521 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 424790683 XUBPCBYXFFWNLB-HOTGVXAUSA-N 287.403 3.625 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CC1CCCCC1 195745446 HBUOKZRXGHDGCJ-WBVHZDCISA-N 293.451 3.929 30 20 CHED CCCCCCCC(=O)N(Cc1ccccn1)C1CC1 192580268 XLWXZEYUFIRJHC-UHFFFAOYSA-N 274.408 3.933 30 20 CHED CCC[C@H]1CCCCN1C(O)=Nc1cccc2c1OCO2 329838391 MNIZGYZBPICOLH-LBPRGKRZSA-N 290.363 3.615 30 20 CHED Cc1nc(CN(C)[C@H](C)c2cccc(C#N)c2)sc1C 425530059 DFONNAHNWVCPAD-GFCCVEGCSA-N 285.416 3.825 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)s2)s1 131205179 FCCIHUKTFHUTMM-UHFFFAOYSA-N 262.403 3.622 30 20 CHED N#Cc1cccnc1N1CCC[C@@H]1c1cccc(Cl)c1 48565695 RPBYQDDIEXGIME-OAHLLOKOSA-N 283.762 3.948 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425132411 RBOCWDBBWYFWQO-SRCQZFHVSA-N 270.376 3.514 30 20 CHED C=CCn1c(S[C@H](C)C(=O)CC)nc2ccccc21 80058090 UQWDBVYNCLBCMA-LLVKDONJSA-N 274.389 3.682 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C(=O)CC)cc1 191796260 SWJSHYQCNYTIIW-INIZCTEOSA-N 260.333 3.787 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1N[C@@H]1CC[C@H](C#N)C1 424326593 MEEMUUYYKZHAON-JRATXPSKSA-N 272.367 3.731 30 20 CHED N#CCN[C@H](c1cccc2ccccc12)C(F)(F)F 510406407 LXSJWFLGWGIWGM-CYBMUJFWSA-N 264.250 3.556 30 20 CHED N#C[C@@H]1CC[C@H](N2CCc3cc(-c4ccccc4)oc3C2)C1 334359831 XHIRJKPOFXFFLU-PBHICJAKSA-N 292.382 3.997 30 20 CHED CC[C@@H]1CCCC[C@@H]1N/C(O)=N/[C@@H]1CCOC2(CCC2)C1 330218795 OZEJYLDSBAIROH-KFWWJZLASA-N 294.439 3.561 30 20 CHED N#CCCCCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 192107365 VSWHLOZCSSZDCK-CABCVRRESA-N 296.773 3.593 30 20 CHED C=CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 194273563 UIPFSLQCPGJPGT-UHFFFAOYSA-N 256.324 3.582 30 20 CHED CSc1ccccc1[C@H](C)Nc1ccc(C#N)nc1 336920253 GGCFEVMYHDCZPD-NSHDSACASA-N 269.373 3.848 30 20 CHED CCN(CCC#N)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 337054359 OTQXOMMHVOPCAC-NSHDSACASA-N 298.308 3.571 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@@H]2c2ccsc2)n1 267228314 PLKDNROGNCLMGP-OAHLLOKOSA-N 283.400 3.973 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2ccc(C(F)(F)F)cc2)no1 334657452 WYMDRJPERZRLAG-ISVAXAHUSA-N 293.248 3.557 30 20 CHED C=C(C)C(C)(C)c1nc([C@@H]2CCC(F)(F)C2)no1 335609925 FAPQARRTNAKFQL-SECBINFHSA-N 256.296 3.826 30 20 CHED C[C@@H](C(=O)NCCCCC#N)c1ccc(C(F)(F)F)cc1 336939473 WYEOCZZVFBBAMB-LLVKDONJSA-N 298.308 3.619 30 20 CHED C=CCC[C@H](NCCCc1ccc(OC)cc1)C1CC1 439083563 HXPLBBUUWHGNJE-SFHVURJKSA-N 273.420 3.962 30 20 CHED C=CCCCCCN(C)Cc1ccc(NC(C)=O)cc1 93498011 OOVJXMVGNZMDIS-UHFFFAOYSA-N 274.408 3.823 30 20 CHED CC#CCSc1nc2ccccc2c(=O)n1C1CCCC1 97599339 CSGRKBBWIFJPCY-UHFFFAOYSA-N 298.411 3.627 30 20 CHED COc1ccccc1C[C@@H](NCC1(CC#N)CC1)C(C)C 430722730 GRODDCUZUPNTLR-MRXNPFEDSA-N 286.419 3.546 30 20 CHED C=CCSCCNC(=O)c1occc1-c1ccccc1 345077897 VKUAQNJGMRFYGB-UHFFFAOYSA-N 287.384 3.596 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2C)cc1 249706839 BENZZHVNDAOXPH-UAXWRAGISA-N 298.386 3.503 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)o1 539418819 MNVHKQXYDBNHAJ-MGPQQGTHSA-N 258.365 3.600 30 20 CHED CC(C)CN(C(=O)C[C@@H]1C=CCC1)c1ccc(C#N)cc1 346479559 HGAPSKSCLDXEFQ-OAHLLOKOSA-N 282.387 3.904 30 20 CHED CCN(CCC#N)CCc1cccc(Cl)c1Cl 434544492 NFGSIBJMVBELRX-UHFFFAOYSA-N 271.191 3.771 30 20 CHED CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H](C)c1ccc(C#N)cc1 248343677 KPMGEDPCCZDOQG-APHBMKBZSA-N 282.387 3.514 30 20 CHED CC[C@@H](CC#N)N[C@H]1CCc2cc(F)c(Cl)cc21 529540921 FDIGCDBXCHVSAU-HZMBPMFUSA-N 266.747 3.748 30 20 CHED C=C(C)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 524305868 FBZCTVQFZXEIHR-AWEZNQCLSA-N 286.202 3.943 30 20 CHED C=CC[C@@H]1N(C(=O)NCC2(SC)CC2)CCCC1(C)C 434545824 CHFUHJRUFZUCJV-ZDUSSCGKSA-N 296.480 3.658 30 20 CHED COc1ccc(CN2CC[C@@H]2c2ccccc2)cc1C#N 340193895 BHGQDBWFRIKETD-QGZVFWFLSA-N 278.355 3.514 30 20 CHED COCC[C@@H](Sc1cc(C#N)ccn1)c1ccccc1 340547654 HGUMWDNLANTCAZ-OAHLLOKOSA-N 284.384 3.823 30 20 CHED CC[C@H](C)N(Cc1ccccc1)C(=O)NCC1(CC#N)CC1 431113094 ROVPNIUGGXAGBO-HNNXBMFYSA-N 299.418 3.691 30 20 CHED O=C1/C(=C/c2ccc(O)c(F)c2)CCc2cc(F)ccc21 255139938 FEKWWSKUGUFUGJ-KPKJPENVSA-N 286.277 3.883 30 20 CHED CCN(CCc1cccs1)C(=O)C1(C#N)CCCCC1 299136522 QBWJDLIUGBVIRN-UHFFFAOYSA-N 290.432 3.613 30 20 CHED COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)ccn1 348751133 DNCVSEXECJQRNO-RYUDHWBXSA-N 299.349 3.513 30 20 CHED C=CCC[C@@H](NC(=O)NC1CCC1)c1ccccc1 435102571 UZMJTRBLAHEENC-OAHLLOKOSA-N 258.365 3.546 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CCc1ccsc1 346902101 SYXLJLLDVZACBR-UHFFFAOYSA-N 299.399 3.623 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 435382187 CAJKXGITEGWFCL-VIFPVBQESA-N 288.734 3.604 30 20 CHED COc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1OC 255630506 YZCCWEBADUAROX-NTUHNPAUSA-N 298.313 3.665 30 20 CHED C=CCC(C)(C)c1noc([C@@H](OC)c2ccc(F)cc2)n1 528201797 FMZFQTDCHWKEJJ-ZDUSSCGKSA-N 290.338 3.798 30 20 CHED CC(C)(C#N)CCCCn1cnc(-c2ccccc2)cc1=O 603343837 WDSPDCCTFCCGPB-UHFFFAOYSA-N 295.386 3.630 30 20 CHED Cc1ccc(NC(=S)NN=Cc2cccc(C)c2)cc1 257354632 YXIICVRBWPZHIE-UHFFFAOYSA-N 283.400 3.624 30 20 CHED Cc1cc(C(=O)CSc2cc(C#N)ccn2)c(C)s1 340570269 DSFXWJYMBAWMKQ-UHFFFAOYSA-N 288.397 3.607 30 20 CHED N#C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 601071127 WNCQERSVBILDMF-NSHDSACASA-N 291.763 3.784 30 20 CHED O=C1/C(=C/c2ccccc2F)Cc2ccc(F)cc21 255343748 LDDABKFBGQIORH-XYOKQWHBSA-N 256.251 3.787 30 20 CHED Cc1cc(CNC[C@@H](C)Oc2ccccc2F)ccc1C#N 444004269 QLCJBXLWXGDJHZ-CQSZACIVSA-N 298.361 3.563 30 20 CHED C[C@@H](CCC#N)CNC1(c2ccc(F)cc2)CCC1 602528998 RPBQZURLTXDDFR-ZDUSSCGKSA-N 260.356 3.734 30 20 CHED CC(C)CC(CC(C)C)C(=O)N(CCC#N)CC1CC1 448909591 IEUIKESTHJTNSD-UHFFFAOYSA-N 278.440 3.847 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cccc(F)c1Cl 352959360 MVRGMQYYWHTUBP-UHFFFAOYSA-N 297.761 3.931 30 20 CHED CO[C@H](c1ccccc1Cl)[C@H](C)NC[C@H](C)CCC#N 602600433 JOWAPFCNYANVOV-WWGRRREGSA-N 294.826 3.945 30 20 CHED CCCN(C(=O)c1ccccn1)c1cc(Cl)ccc1C#N 609285671 CRXOXXSJVNNHNK-UHFFFAOYSA-N 299.761 3.663 30 20 CHED C[C@@H](NC(=O)CC(C)(C)C#N)c1nc(C(C)(C)C)cs1 353317839 XFDBUXZCDIMGAT-SNVBAGLBSA-N 293.436 3.558 30 20 CHED C[C@H](NC(=O)C1(C#N)CCC1)c1cc2ccccc2s1 265439216 GLIYJIPQUBWYBR-NSHDSACASA-N 284.384 3.772 30 20 CHED CC1CC(C#N)(C(=O)N(C)Cc2csc3ccccc23)C1 531558853 RLBSSOJTOZNYRA-UHFFFAOYSA-N 298.411 3.800 30 20 CHED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)C#N 357805648 JYDQZZWNPPPEAA-VIFPVBQESA-N 285.174 3.502 30 20 CHED C[C@H]1CCC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 619748313 HRUOSLAYRMLHPP-FZMZJTMJSA-N 262.784 3.880 30 20 CHED CCSc1ccc([C@H](C)NC(=O)CC(C)(C)C#N)cc1 353084793 PDYOJEYYEPYPBY-LBPRGKRZSA-N 290.432 3.916 30 20 CHED N#CC1(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)CC1 611430611 NEVCDNANGQBQHZ-HNNXBMFYSA-N 279.387 3.651 30 20 CHED CC1(C)CCCN(C/C=C\c2ccccc2)[C@H]1C#N 444723794 XFCQCFYULGXMFG-DIEDAUMRSA-N 254.377 3.714 30 20 CHED COc1cccc2c(N3CCC[C@@](C)(C#N)C3)c(C)cnc12 615713098 CHFQLYQKHNQXNY-SFHVURJKSA-N 295.386 3.682 30 20 CHED C=CCSCCNC[C@H](C)c1cc(F)cc(F)c1 449129109 BPGUNBJADUXDDZ-NSHDSACASA-N 271.376 3.577 30 20 CHED C=CCCC1(C(=O)Nc2ccc3ncsc3c2)CC1 354592804 IQTHHQPJLYALJV-UHFFFAOYSA-N 272.373 3.981 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCCc3ccccc32)c1 355663981 DWXIJYIDDZTTFH-LJQANCHMSA-N 276.383 3.768 30 20 CHED Cc1cc(C)cc(N/C(N)=N/[C@@H]2C[C@H]2c2ccccc2F)c1 263194839 WHTZCIDZRVEPDX-DOTOQJQBSA-N 297.377 3.725 30 20 CHED Cc1cc(C#N)ccc1CSc1nccn1C(C)C 614401982 GEUKFQUBVWDPRH-UHFFFAOYSA-N 271.389 3.936 30 20 CHED CO[C@H](CNc1nc(C(C)(C)C)ccc1C#N)C(C)(C)C 613426483 UWFXYBNSNDNCNR-CQSZACIVSA-N 289.423 3.724 30 20 CHED C[C@@H](NCCc1cccc(F)c1F)c1cccc(C#N)c1 537309212 UJUHIVLMUVSTHT-GFCCVEGCSA-N 286.325 3.730 30 20 CHED CC(C)CCCCC(=O)N[C@@H](C#N)c1ccccc1F 457526465 PYHZSOMNBYCENF-HNNXBMFYSA-N 276.355 3.723 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCCc2csc(C)n2)C1 617782296 BVWXJBOKJGULCT-AWEZNQCLSA-N 292.448 3.589 30 20 CHED C=C[C@@H](C)NC(=O)C(C)(C)Cc1ccc(Cl)cc1 457638235 NAGVLTAOOXWLPV-LLVKDONJSA-N 265.784 3.599 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2sccc2C)C1 617783113 UKZHSFAPCMVBRB-ILXRZTDVSA-N 289.444 3.975 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1 365709266 JBLCPZVVJMULNL-AYBZRNKSSA-N 291.398 3.843 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 456428098 MTAZJBCQNSGQCP-MEDUHNTESA-N 297.320 3.810 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(C#N)c1C 450172039 JXYMPDHCXOSYJD-JSGCOSHPSA-N 256.349 3.632 30 20 CHED C=CCCc1nc(Cc2c[nH]c3cccc(C)c23)no1 274093296 YOIHXLXGWGJZSL-UHFFFAOYSA-N 267.332 3.569 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)NCC#Cc1cccc(F)c1 451507557 LSYQZFSAFVSETK-WBVHZDCISA-N 287.378 3.510 30 20 CHED C[C@H]1CCCC[C@]1(C)NCCCC1(C#N)CCOCC1 459610799 KVRDAVFDDWWHCU-HOTGVXAUSA-N 278.440 3.645 30 20 CHED Cc1ccccc1[C@H](c1noc([C@@]2(C#N)C[C@@H]2C)n1)C(C)C 453184815 SQQHVZPBZCQABL-JCKWVBRZSA-N 295.386 3.967 30 20 CHED C=C[C@H](C)NC(=O)CCC(=O)c1ccc(CC(C)C)cc1 362588101 OOKDPDWUIIZGPE-AWEZNQCLSA-N 287.403 3.539 30 20 CHED CCCCCNC(=O)c1c(Cl)cc(C#N)cc1Cl 611093223 LKDZQOZVJFVMIL-UHFFFAOYSA-N 285.174 3.785 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](CC(C)(C)C)C1 457077172 KHELHWYXTSLFIC-CYBMUJFWSA-N 251.414 3.873 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](CC2CC2)C1 454815925 TWFUKJOLDGELAI-DZGCQCFKSA-N 264.413 3.563 30 20 CHED C=CCC1(C(=O)N2CC3(CCCCC3)C2)CCCC1 450498276 FZXOIBUONLOEBU-UHFFFAOYSA-N 261.409 3.916 30 20 CHED CC(C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 540970014 YCNRMMHAGRZTSD-VXGBXAGGSA-N 297.185 3.515 30 20 CHED Cc1cc(C)cc(OCCCN2CCC(CC#N)CC2)c1 541948140 GUBPXPHBZYMKKK-UHFFFAOYSA-N 286.419 3.698 30 20 CHED CCCNC(=O)Nc1cccc(OCCC(C)(C)C#N)c1 272029022 AVSCBKBWWVIIAS-UHFFFAOYSA-N 289.379 3.537 30 20 CHED CC1(C)CCCN(Cc2cccc3cccnc23)[C@H]1C#N 277660826 DWEVYBNJGMOWBI-INIZCTEOSA-N 279.387 3.749 30 20 CHED C=CCC1(NC(=O)[C@H](C)OCCCC)CCCCC1 456375127 XUTZVWLZHSFYGV-AWEZNQCLSA-N 267.413 3.587 30 20 CHED CC[C@H](NC[C@@H](O)c1ccccc1C)c1ccc(C#N)cc1 278837371 UOSICAHXIRKEPQ-RBUKOAKNSA-N 294.398 3.641 30 20 CHED C=CCN(C(=O)c1ccc(Cl)c(F)c1)C(C)(C)C 622945251 YWKZEPZFVAZQOQ-UHFFFAOYSA-N 269.747 3.906 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ccccc1F 620863751 ALOMSURNUYGSFD-UHFFFAOYSA-N 263.356 3.619 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@@H]2CCCC[C@@H]12 541107049 LMRMPFAYMTZYLW-ISTRZQFTSA-N 272.367 3.708 30 20 CHED CC(C)[C@H](NCC1(C#N)CCC1)c1ccc(F)cc1F 450689287 XNJNUQCJCBAGCR-HNNXBMFYSA-N 278.346 3.945 30 20 CHED C#CCCCSc1nnc(-c2ccc(Cl)cc2)n1C 270920852 ZGSOCZCBCJUYJV-UHFFFAOYSA-N 291.807 3.641 30 20 CHED C=CCC[C@H](NCC[C@@H](C)N1CCCCC1)C1CC1 544373255 WAKFCBJOKYLLBY-WBVHZDCISA-N 264.457 3.585 30 20 CHED C=CCN(Cc1cn(C)nc1C(F)F)c1ccccc1 361137262 WNQVTKIQLCDEQF-UHFFFAOYSA-N 277.318 3.550 30 20 CHED C#CCC1(C(=O)N2CC(Cc3ccccc3)C2)CCCCC1 372754188 WUCYWXWFVXRGQD-UHFFFAOYSA-N 295.426 3.661 30 20 CHED C#CC[C@H](N[C@@H](C)c1cscn1)c1ccccc1 271549188 RWIYIPVWEYDNSL-JSGCOSHPSA-N 256.374 3.558 30 20 CHED C=CCSc1ccccc1C(=O)NC(CC)CC 467010202 CIKWHQOLMYLXGY-UHFFFAOYSA-N 263.406 3.883 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 467319526 ZOSXJXGGWGXLDY-CVEARBPZSA-N 261.409 3.840 30 20 CHED C[C@H](NCCCC#N)[C@H](C)c1ccc(Cl)cc1 280348350 REBVNESPIGSLPZ-RYUDHWBXSA-N 250.773 3.725 30 20 CHED C=CCn1c(Nc2ccc(OC)cc2)nnc1[C@H](C)CC 463092024 IYXYUWGIBCRAMW-GFCCVEGCSA-N 286.379 3.730 30 20 CHED Cc1c(Cl)cnc(N2CC(C)(C)[C@H]3CCC[C@H]32)c1C#N 555250683 GIBPODKGAYIYSQ-GXTWGEPZSA-N 289.810 3.930 30 20 CHED C[C@@H]1Cc2ccccc2CN1c1ccc(Cl)c(C#N)n1 463473096 FLPICLYWJWNUKH-LLVKDONJSA-N 283.762 3.558 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC(=Cc2ccccc2F)CC1 464759350 XMXNVXIFWDFUSN-CYBMUJFWSA-N 288.366 3.589 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)c2cc(C#N)oc2C)c(C)c1 280501720 CSYBGOVJDOHEGQ-ZDUSSCGKSA-N 296.370 3.910 30 20 CHED CCCCCCCCOCc1nc(-c2coc(C)n2)no1 289474249 VYSVYZUSYXSATG-UHFFFAOYSA-N 293.367 3.910 30 20 CHED C=CCN(C(=O)NCC1(CC)CCCCC1)C1CC1 460204288 UMQPZNLXRSLJAM-UHFFFAOYSA-N 264.413 3.707 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCc1ccccc1F 280916125 SPZCUOKERMCTDM-HFTRVMKXSA-N 291.410 3.718 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 466642946 UVDQUXCWWVEGBF-GFCCVEGCSA-N 299.336 3.919 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2c(ccn2CC(C)C)c1 465249023 BUMGJSYKBVTRJZ-CYBMUJFWSA-N 285.391 3.993 30 20 CHED COc1cccc(NN=C(C)c2c(F)cccc2Cl)n1 807980859 ALUZOUKKALYYAM-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)CC1CCCCC1)OCC 470497625 QLHBKMSGVCHXQV-GDBMZVCRSA-N 281.440 3.833 30 20 CHED C=CCCCCCCNC(=O)N[C@H]1CCC(F)(F)C1 805213603 FUYQHXVAUFOVAB-LBPRGKRZSA-N 274.355 3.610 30 20 CHED CSC1(C=NNc2cccc(C(F)(F)F)c2)CC1 800805574 SZTGIVCSSMWBIZ-UHFFFAOYSA-N 274.311 3.999 30 20 CHED CC(C)Oc1ccc([C@H](C)Nc2cc(C#N)ccn2)cc1 292725843 IJKITNRJCXWYLO-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED CCOc1ccc2ccccc2c1OC(=O)CCCC#N 291799967 REJISTKMXMCZFB-UHFFFAOYSA-N 283.327 3.838 30 20 CHED CC#CCCCc1nc(-c2cccc3[nH]ccc23)no1 290064945 JROFPWFVVVHWEQ-UHFFFAOYSA-N 265.316 3.564 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 296536640 SAJHBPIWSWXETD-GOEBONIOSA-N 297.402 3.909 30 20 CHED CC[C@](C)(C#N)C(=O)OCCCOc1cc(C)ccc1C 803781551 HLFVNPYGPJLYNJ-QGZVFWFLSA-N 289.375 3.555 30 20 CHED CC(C)Oc1cccc(CN(C)[C@@H](C)CCC#N)c1 299563572 GVDFZZDTDVDRND-AWEZNQCLSA-N 260.381 3.598 30 20 CHED C=CCCC1(C(=O)NCCc2cccc(Cl)c2)CC1 474288162 ZSZCXJMUNIKHPD-UHFFFAOYSA-N 277.795 3.745 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 298474492 RIFNVWQBKAWVDQ-UHFFFAOYSA-N 297.402 3.508 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc2ccncc12 648346241 LCEDGMGCMLQVCE-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED C=CCn1c(C)cc(C(=O)Cn2ccc(C(C)(C)C)n2)c1C 647881356 LROKNSXOSXUQIB-UHFFFAOYSA-N 299.418 3.668 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCC1(C)CC1 478406575 FTUUGBNEUDXLQC-UHFFFAOYSA-N 264.413 3.564 30 20 CHED CCCCCCCCNC(=O)c1conc1C1CC1 291022071 IYHXVLSLTOMMSQ-UHFFFAOYSA-N 264.369 3.642 30 20 CHED C#Cc1ccc(CN2CCC(n3c(C)ccc3C)CC2)cc1 809559706 YNELXYWKFGVFPT-UHFFFAOYSA-N 292.426 3.923 30 20 CHED C=CCN(CC=C)Cc1cccc(Br)c1OC 481713604 RYJLPZPWPZGSNZ-UHFFFAOYSA-N 296.208 3.632 30 20 CHED CCc1nc(S[C@@H](C#N)C2CCCCC2)nc(O)c1C 568272353 UQTOLLFAYRNKLP-ZDUSSCGKSA-N 291.420 3.618 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(C)cc(F)c1 488927315 CWFKHFBWSGNMER-AWEZNQCLSA-N 262.328 3.707 30 20 CHED C=CCOCCCC(=O)N1CCC[C@H]1CCC1CCCC1 488270705 IRLBYYGUXJYCCP-KRWDZBQOSA-N 293.451 3.931 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C)cc(C)c2)cc1O 811699573 VQRMQVCHTMTNID-XQRVVYSFSA-N 282.339 3.914 30 20 CHED CCCCCCC[C@@H](C)NCCc1nccnc1C 816651441 HSDDWJQTHTYDML-CQSZACIVSA-N 263.429 3.666 30 20 CHED C=CCC(F)(F)C(=O)O[C@H]1COc2cc(Cl)ccc21 816052113 PNRHEEFHRBJEHB-NSHDSACASA-N 288.677 3.528 30 20 CHED Cc1cccc(CC(=NNC[C@H]2CCSC2)C2CC2)c1 811658974 QONCZRAEKBYBCG-OAHLLOKOSA-N 288.460 3.646 30 20 CHED C#CCC1(OC(=O)Cc2c(C)oc3ccccc23)CCC1 810748168 TTYPLVFIWMKNOP-UHFFFAOYSA-N 282.339 3.773 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@@H](C)C1)c1ccccc1 489735991 AFIYCSWFKKRFPT-WBVHZDCISA-N 271.404 3.995 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1cnc2ccccc2c1 489764056 HEPNRUCYIUWENP-UHFFFAOYSA-N 296.414 3.886 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1cc[nH]n1 814796451 DSQCMPBGSKRUMR-UHFFFAOYSA-N 269.135 3.553 30 20 CHED Cc1csc(NC(=O)N2CC[C@@H](CC(C)C)C2)c1C#N 576715897 QAVWXILGLIZTMF-LBPRGKRZSA-N 291.420 3.828 30 20 CHED C=CCCCCN(CC)Cc1nc(O)c2ccccc2n1 571154724 KFMCSLNCLNWLHW-UHFFFAOYSA-N 285.391 3.514 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCC[C@H]1C 488974985 HBDVTGBUNDCGEK-KDOFPFPSSA-N 286.419 3.504 30 20 CHED C=CCCn1cc(C(=O)Oc2cc(C)ccc2C(C)C)nn1 819940674 AAZOQKINECYWJD-UHFFFAOYSA-N 299.374 3.505 30 20 CHED C=CCC(C)(C)CNC(=O)/C=C/c1cccc(F)c1 814421146 FVJNKCDJHQYTIZ-CMDGGOBGSA-N 261.340 3.557 30 20 CHED N#CC1(C(=O)N2CC3(CCC3)c3ccccc32)CCCCC1 481457311 PFJHMPODTNUVTK-UHFFFAOYSA-N 294.398 3.929 30 20 CHED CC[C@@H](O)CNN=Cc1sc2c(Cl)cccc2c1C 814935720 QNISVIOCHNKUFJ-SNVBAGLBSA-N 296.823 3.558 30 20 CHED C=CCC[C@H](C(=O)OCC1(OC)CCC1)c1ccccc1 811169794 CPHNMYFFIAHBBV-INIZCTEOSA-N 288.387 3.849 30 20 CHED C#Cc1cccc(N(C(=O)/C=C\c2cccnc2)C(C)C)c1 728247186 RQMIJWGJSNJFHI-KHPPLWFESA-N 290.366 3.518 30 20 CHED Cc1cc(C)c(NC(=S)NCCCCC#N)c(Cl)c1 728798219 GLKWJRPCWSOCGH-UHFFFAOYSA-N 295.839 3.937 30 20 CHED C=C(CNCc1cccnc1Cl)c1ccccc1 729679425 IDRVGENTBGCSMZ-UHFFFAOYSA-N 258.752 3.538 30 20 CHED C#Cc1cccc(NC(=S)N(CC)C2CCCC2)c1 726467275 RNVZCWVVVJDONB-UHFFFAOYSA-N 272.417 3.629 30 20 CHED N#Cc1ccnc(NC(=O)c2ccc(C3CCCC3)cc2)c1 577555326 YIFCLWIYJZGLGW-UHFFFAOYSA-N 291.354 3.863 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 728713283 XPUZBHZPVBISFV-ATNYBXOESA-N 286.419 3.892 30 20 CHED CC(C)(C)CN(CCC#N)Cc1c(O)ccc2ccncc12 729468745 YMOQGIOLEUMIHM-UHFFFAOYSA-N 297.402 3.702 30 20 CHED CC1CCC(=NNc2cnc3ccccc3n2)CC1 727258407 IBSWYUDWQVIRLL-UHFFFAOYSA-N 254.337 3.608 30 20 CHED C=CCCNC(=O)Nc1cc(Cl)ccc1SC 665863887 UKJCNTMZISJPCU-UHFFFAOYSA-N 270.785 3.760 30 20 CHED C=C(C)COCCN[C@@H]1CC=C(c2ccc(F)cc2)CC1 498799821 JWATUFLPJDSPGL-GOSISDBHSA-N 289.394 3.944 30 20 CHED C=CCCOCC(=O)N(C(C)C)[C@@H](C)c1ccccc1 661051431 OVTGLQQTTBWAGG-HNNXBMFYSA-N 275.392 3.577 30 20 CHED C=CCCCC[C@H](C)NC[C@H](O)c1c(F)cccc1F 823925454 XSYFXDCLPRMZQZ-WFASDCNBSA-N 283.362 3.723 30 20 CHED CC(C)=CCC/C(C)=C/C=NNc1ccc(C)nn1 729935908 WJFABCZSCQAPDS-GLWOHCGISA-N 258.369 3.875 30 20 CHED C[C@@H]1C[C@@H](C=NOC2CCC2)CCN1C(=O)OC(C)(C)C 496521198 ULFVGSILFWXPQG-OLZOCXBDSA-N 296.411 3.577 30 20 CHED Cc1nc(/C=C2\C(=O)c3ccccc3C2(C)C)[nH]c1C 901464527 KPDTZRNSFQUQNE-NTEUORMPSA-N 266.344 3.584 30 20 CHED CC#CCCNC(=O)c1cc(Cl)ccc1SCC 498606032 MYGUQBXYAYAYNE-UHFFFAOYSA-N 281.808 3.595 30 20 CHED Cc1cc(NC(=O)C#CC(C)C)ccc1OCC(F)(F)F 828285631 WVWUVUNRWYCCQJ-UHFFFAOYSA-N 299.292 3.534 30 20 CHED C/C(=C(\F)C(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 901171548 KURPWEMBCLRERI-XYGUXCPDSA-N 286.350 3.801 30 20 CHED CCCCCCCCCNC(=O)c1c(C2CC2)cnn1C 820930294 NSKFPDPUJMXMLK-UHFFFAOYSA-N 291.439 3.778 30 20 CHED Cc1ccc(/C=C\C(=O)c2c(C)nn(C)c2C)cc1Cl 588596095 UPYFHVYAXOTXON-FPLPWBNLSA-N 288.778 3.895 30 20 CHED C=CC[C@H](N[C@@H]1CCC[C@H](OCC)C1)c1ccncc1 902807310 XUTVWQSIFSKJCY-IKGGRYGDSA-N 274.408 3.636 30 20 CHED C=CCC(F)(F)C(=O)Oc1cccc(C2CC2)c1 822160028 IWTQRVYQSNOPQM-UHFFFAOYSA-N 252.260 3.681 30 20 CHED CC(C)C[C@@H](C)OC(=O)N(C)Cc1cccc(C#N)c1 820785239 OODVECDCUOJZQY-CYBMUJFWSA-N 274.364 3.561 30 20 CHED C[C@@]1(CNc2ccc(C#N)cc2)CC1(Cl)Cl 828792009 ZWASHQVVKOKUFN-NSHDSACASA-N 255.148 3.554 30 20 CHED O=C1/C(=C/c2cccs2)COc2ccc(F)cc21 731565335 LEZCLJVHAZHOPC-RMKNXTFCSA-N 260.289 3.546 30 20 CHED CC[C@@H]1c2ccccc2CCN1C(=O)C#CC(C)(C)C 837419271 KGKKNYPYYHMOIM-MRXNPFEDSA-N 269.388 3.572 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)/C=C/c1ccccc1C#N 733945626 ZXHRDPQFLQJUQQ-PCCNWKQFSA-N 296.414 3.904 30 20 CHED CCCCCCCCCCC(=O)N(C)c1nccn1C 839340488 VUGWCFITFHGFRC-UHFFFAOYSA-N 279.428 3.914 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccccc1Cn1ccnc1 584746804 NGBSMCBEUCLTKM-CVEARBPZSA-N 283.419 3.622 30 20 CHED C=CCCC[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 581755637 WNKYHGKJJQTWDU-GUYCJALGSA-N 254.377 3.880 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1O2 834952753 XCSNMDCZGGUICX-MGPQQGTHSA-N 296.317 3.643 30 20 CHED O=C(c1ccoc1)N(O)Cc1cc(Cl)cc(Cl)c1 901379634 AHDVMGSDTXXIAI-UHFFFAOYSA-N 286.114 3.618 30 20 CHED COc1ccc(CCNN=C(C)C2CCCCC2)cc1 737440037 ACWLJQSYOBXNAZ-UHFFFAOYSA-N 274.408 3.784 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)C#CC(C)(C)C)cc1 837328349 IFOIIXDTEOBWDL-MRXNPFEDSA-N 269.388 3.708 30 20 CHED CN(Cc1cccc2ccccc12)c1cccnc1C#N 584561967 JXJWTQJXOKYINY-UHFFFAOYSA-N 273.339 3.743 30 20 CHED CC(C)CC[C@@H]1CCC(=NOC2CCOCC2)C1 834971388 DYCNOKPTRGEBSC-CYBMUJFWSA-N 253.386 3.774 30 20 CHED C=CCC1(NC(=O)Cc2ccccc2CC#N)CCCCC1 836956215 APLQAIPDSKUVKA-UHFFFAOYSA-N 296.414 3.690 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1ccccc1Cl)OC 834917119 YROHKCJLQQAXSF-ZWNOBZJWSA-N 254.761 3.799 30 20 CHED Cc1cc(Sc2nc(C(C)C)cs2)c(C#N)cn1 593495365 FLIISNGAMYJELU-UHFFFAOYSA-N 275.402 3.993 30 20 CHED C1=C([C@@H]2CCCCC2=NNc2ccncn2)CCCC1 835000874 HZALKXDMTOKUCM-AWEZNQCLSA-N 270.380 3.935 30 20 CHED CCCCCCCCCNC(=O)c1ccc(NC=O)cc1 746116151 GGAPEIDDDYIXTO-UHFFFAOYSA-N 290.407 3.735 30 20 CHED C=CCC[C@H](OC(=O)c1ccc(NC(=O)O)cc1)C1CC1 833373728 ZMRIUERLLXSRQF-AWEZNQCLSA-N 289.331 3.678 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1CC[C@H](C#N)C1 592639566 VEFJXFLINHSQHG-SOUVJXGZSA-N 262.397 3.567 30 20 CHED CC(C)c1ccc(C=NNc2ccc(Cl)nn2)cc1 916288113 NCWJPJSOLNJEDP-UHFFFAOYSA-N 274.755 3.699 30 20 CHED O=C(O)Cc1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1 746684998 WSQWIYKITXJJBI-KBXRYBNXSA-N 292.334 3.766 30 20 CHED CCN(C(=O)CCc1c(Cl)cccc1Cl)[C@H](C)C#N 598351457 YRGVXKFMWXMLST-SNVBAGLBSA-N 299.201 3.687 30 20 CHED CC[C@@H](C#N)C(=O)N1C[C@H](c2ccccc2)c2ccccc21 593656246 DWKAWDGKGFHEBI-WMLDXEAASA-N 290.366 3.715 30 20 CHED C[C@@H](OC(=O)[C@H](C)c1ccco1)c1cccc(C#N)c1 744101891 MCRMRJXMMRUNMK-VXGBXAGGSA-N 269.300 3.559 30 20 CHED CC[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)C1CC1 849301763 SPDVNWAKYWMQNS-ZDUSSCGKSA-N 293.823 3.687 30 20 CHED C=CCN(C(=S)Nc1ccc(C)cc1C)[C@H](C)COC 849276350 ANQLCSQGHDXLDF-CQSZACIVSA-N 292.448 3.523 30 20 CHED CCOCc1cc(C=NNc2ccc(C)cc2)ccc1OC 747601704 FZRHWYTUEMWTOJ-UHFFFAOYSA-N 298.386 3.986 30 20 CHED Cc1cc(C=NNc2ccccc2)c(C)n1-c1nccs1 744526371 SGNHTWWPYVBCGE-UHFFFAOYSA-N 296.399 3.997 30 20 CHED COc1ccc2c(c1)O/C(=C/c1cc(C)c(O)c(C)c1)C2=O 749133338 XAVHVUVYWZTEQE-LZYBPNLTSA-N 296.322 3.634 30 20 CHED C=C(C)CONC(=O)N(CCC)[C@H]1CCc2ccccc21 845596148 ZMOYVKNQXJOLPQ-INIZCTEOSA-N 288.391 3.603 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCC[C@@H]1CC)C(C)C 918074385 NDHBAYBJGMTDQE-UONOGXRCSA-N 252.402 3.561 30 20 CHED C=CC1CCN(C(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)CC1 599677058 LNCKNCZHZJOZOV-BBRMVZONSA-N 287.403 3.760 30 20 CHED COc1cccc(/C=N/CC2(c3ccc(F)cc3)CC2)c1O 915982182 REGNSZMMSIXTHY-RGVLZGJSSA-N 299.345 3.691 30 20 CHED Cc1ccc(-c2cccnc2OCC2CC2)cc1C#N 592988691 NMSBIQVUVZXKBN-UHFFFAOYSA-N 264.328 3.718 30 20 CHED Cn1ncc(C2CC2)c1/C=C\C(=O)c1csc(Cl)c1 849249208 FSGQAARBNBJUGQ-PLNGDYQASA-N 292.791 3.909 30 20 CHED CC(C)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1 595614324 KGIRQCVTJVLFPO-OAHLLOKOSA-N 272.392 3.599 30 20 CHED CC(=NOC(C)C)c1csc(-c2ccccc2)n1 841639914 AXJWYSPGVJIEDQ-UHFFFAOYSA-N 260.362 3.959 30 20 CHED CC(C)OC1CCC(Nc2ncc3c(c2C#N)CCC3)CC1 591822250 SZVREJJGCITRKZ-UHFFFAOYSA-N 299.418 3.590 30 20 CHED N#Cc1ccc(NN=C2CCc3cc(Cl)ccc32)cc1 743439030 ZSJZCTWTVMRWTJ-UHFFFAOYSA-N 281.746 3.974 30 20 CHED CC[C@@H](NC(=O)CC1(C#N)CCCCC1)C1CCCC1 597731199 GYYXJXJZQPHVOP-OAHLLOKOSA-N 276.424 3.936 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)c(C)c1 591239028 KDLCJQJDXMEPRN-CYBMUJFWSA-N 298.361 3.865 30 20 CHED CCC[C@@H](C#N)NC(=O)C(C)(C)c1cccc2ccccc12 590987716 JKBSGNTVCXUWRJ-HNNXBMFYSA-N 294.398 3.926 30 20 CHED CCCCCCCCOCC(=O)N1CCC[C@@H](C)C1 741660650 YKPDUKCVJYUKIR-OAHLLOKOSA-N 269.429 3.622 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ccc(C(=O)O)cc1 915933667 NGYDHWRDIOTFKT-NSHDSACASA-N 262.353 3.999 30 20 CHED C[C@H](CCc1ccccc1F)C(=O)OCCCCC#N 744140669 LESCZOCFBJXMOS-CYBMUJFWSA-N 277.339 3.631 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 597995549 TZTCXMSNWWRPRJ-WMZOPIPTSA-N 296.414 3.889 30 20 CHED N#CC1(CCOC(=O)c2ccsc2)CCCCC1 840049914 VLVQIFVDMXZGRE-UHFFFAOYSA-N 263.362 3.769 30 20 CHED C=CCNC(=S)N(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 743004287 IYAPUIRBULSEKS-CVEARBPZSA-N 288.460 3.623 30 20 CHED C=CCCSCCNCc1ncc(C(C)(C)C)s1 594959787 DRWVCJOXUURNMM-UHFFFAOYSA-N 284.494 3.840 30 20 CHED C#CCN(CC)C(=O)c1ccc(OCCCCCC)cc1 919876088 IBVYFRMWAZZGPS-UHFFFAOYSA-N 287.403 3.741 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(Cl)c(SC)c1 844704404 IQVLNLOINJLHKU-MRVPVSSYSA-N 286.784 3.690 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC12CCC2 684235040 LRSCDVJEMZZVAG-MRXNPFEDSA-N 269.388 3.782 30 20 CHED C=CCCOC(=O)c1cc2ccccc2cc1NC(C)=O 740191544 JHNFSEJZEGXSPG-UHFFFAOYSA-N 283.327 3.531 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1cc(C)nc(C)n1 920374339 ZPCDGQZKYYVTLQ-UHFFFAOYSA-N 282.391 3.822 30 20 CHED C=C(CNC(=N)NC1CCCCCC1)c1ccccc1 849077563 FZZCEPBIVSHCGG-UHFFFAOYSA-N 271.408 3.537 30 20 CHED CCCCC[C@H](C)CC(=O)NC1(C#N)CCCCC1 742605688 XVFAMQKYGPQZEA-AWEZNQCLSA-N 264.413 3.936 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)cc1 749374699 ZTPKTYOUHZSYHL-HWYHOQROSA-N 290.794 3.798 30 20 CHED C=C[C@H](C)ONC(=O)N(C)[C@@H](C)c1ccccc1Cl 845639948 UCHMPPKSFZRHCL-QWRGUYRKSA-N 282.771 3.549 30 20 CHED CC(C)CON=Cc1cc(Br)cnc1Cl 842529446 ZJSSAAWGWJUFEE-UHFFFAOYSA-N 291.576 3.504 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C\C1CCCC1 843526516 OMQHWLQALUNPLY-SEYXRHQNSA-N 269.388 3.948 30 20 CHED CC#CCCCC(=O)Nc1nc2ccccc2n1C1CC1 681001898 HTRGXGVXFXYXTG-UHFFFAOYSA-N 281.359 3.503 30 20 CHED C=CCOc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 922585123 INZDJWYECMBDFO-LJQANCHMSA-N 294.398 3.887 30 20 CHED Cc1cc(F)cc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c1 750782727 LLZKQLUGBCVJLG-OAHLLOKOSA-N 297.329 3.673 30 20 CHED Clc1csc(C=NNc2ccccc2Cl)n1 758093233 LOPJYWMCCPVKMN-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CCc1oc2ccccc2c1C=NN=c1cc[nH]cc1Cl 756842522 TZUCTJKZIMNBTQ-UHFFFAOYSA-N 299.761 3.912 30 20 CHED CN(Cn1cc(-c2ccccc2)cn1)c1ccccc1C#N 754758931 JTHPDVJIZDZSKW-UHFFFAOYSA-N 288.354 3.516 30 20 CHED C#CC1CCC(=NNc2ncnc3sc(C)c(C)c23)CC1 853266908 BTSROJIJDOJSMA-UHFFFAOYSA-N 298.415 3.899 30 20 CHED C#CCN(C(=O)c1ccc(-c2ccsc2)nc1C)C(C)C 928629273 RNJGRXYMWXDPPY-UHFFFAOYSA-N 298.411 3.602 30 20 CHED C#C[C@](C)(CC)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 854696961 QXBTZZSTTYKDLJ-DZGCQCFKSA-N 297.320 3.641 30 20 CHED C[C@H](C=NOCc1cccnc1)c1ccc(F)cc1 756894851 ASHXEJMEHITQJM-GFCCVEGCSA-N 258.296 3.527 30 20 CHED C=C[C@@H](OC(=O)[C@H]1CCCSC1)c1ccccc1 851451642 KGVSTMVKJZYRGN-UONOGXRCSA-N 262.374 3.600 30 20 CHED CCCNN=C1CCC(O)(c2ccc(C(C)C)cc2)CC1 753924790 VOFVPJJXUUADEO-UHFFFAOYSA-N 288.435 3.927 30 20 CHED C[C@H](OC(=O)CCC1CCC1)c1cccc(C#N)c1 750696225 DMIOATMNCZHLBM-LBPRGKRZSA-N 257.333 3.743 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCO[C@H](C(C)C)C2)n1 924080477 WFAOHQIGMLVBNT-STQMWFEESA-N 278.396 3.842 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 853782575 GOCQAQZVGHFVMF-QMMMGPOBSA-N 291.750 3.778 30 20 CHED C=CCCCC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 857667229 QTPXMECUZYARJE-UHFFFAOYSA-N 288.347 3.620 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1C 851213080 DBMWPULGJZZBRH-ZDUSSCGKSA-N 259.349 3.789 30 20 CHED C=CCC(C)(C)COC(=O)[C@@H](OC)c1cccc(OC)c1 851042534 LDJCCFYXXQUCBK-HNNXBMFYSA-N 292.375 3.528 30 20 CHED CCC(=Nn1cnnc1)c1ccc(Oc2ccccc2)cc1 921252493 FNWZWHCBNVOOIZ-UHFFFAOYSA-N 292.342 3.733 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@H]2CCCC[C@@H]2C)n1 920788483 CZQZJLYWIKRVTP-CYZMBNFOSA-N 276.405 3.844 30 20 CHED N#Cc1ccc(C(=O)OCc2c(F)cccc2Cl)s1 750400434 NTVKLRHDYSHBCA-UHFFFAOYSA-N 295.722 3.769 30 20 CHED N#Cc1ccc(F)cc1COC(=O)c1cc(Cl)cs1 758730926 OFSYFDPMSJBJIR-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C/C(=C/C(=O)N(C1CC1)[C@@H](C)C#N)c1cccc(Cl)c1 855582828 PAVNZMGCWTWTEH-KGTBHZDVSA-N 288.778 3.646 30 20 CHED C=CCOC(=O)Cc1csc2ccc(Cl)cc12 751846907 PNHOQCJEAXHDND-UHFFFAOYSA-N 266.749 3.826 30 20 CHED C=CCCC(CC)=NNC(=S)Nc1ccccc1OC 750918287 HDKLVJJFRRPAEK-UHFFFAOYSA-N 291.420 3.714 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC(n2c(C)ccc2C)CC1 931225775 MMNPOMXUKFSOJE-INIZCTEOSA-N 288.435 3.871 30 20 CHED Cc1cc(C)c(C=NNc2nccc3sccc23)[nH]1 760252391 ABGMRUJPYVFWJV-UHFFFAOYSA-N 270.361 3.687 30 20 CHED C=CCC1(CNC(=O)Cc2cccnc2Cl)CCCC1 868749801 TWVQCBZRYYWDBC-UHFFFAOYSA-N 292.810 3.530 30 20 CHED CC#CCCCC(=O)Nc1cc(-c2ccccc2F)no1 768706168 HSMFNFRVKSTAFM-UHFFFAOYSA-N 286.306 3.613 30 20 CHED CCn1cc(C(C)=NNc2c(F)cccc2Cl)cn1 769827231 SBLHQACJVVIESV-UHFFFAOYSA-N 280.734 3.532 30 20 CHED O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](F)C(F)(F)F 763904113 XWCRPPMELMLVFY-SSDOTTSWSA-N 289.150 3.544 30 20 CHED C#CCOc1ccccc1-c1noc(C2(C)CCCC2)n1 761996640 ORESFKJXQLOHKD-UHFFFAOYSA-N 282.343 3.580 30 20 CHED CC#CC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 764055022 HGNMHLUWJYJWTK-KRWDZBQOSA-N 257.377 3.647 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ncnc3ccsc23)o1 764841641 SYDDRGKNNQDIQV-GXSJLCMTSA-N 298.371 3.854 30 20 CHED CC(=NNc1cc(C)ccc1F)c1cnc(C)s1 761266186 FABCJQKJLZZZKM-UHFFFAOYSA-N 263.341 3.735 30 20 CHED CC(C)c1ccccc1C(=O)OCCCSCC#N 1118402044 RZYBCFSRIHYBFQ-UHFFFAOYSA-N 277.389 3.614 30 20 CHED COc1cccc(NC(=S)Nc2cccc(C#N)c2C)c1 769796334 XAXFOLPODIRPHT-UHFFFAOYSA-N 297.383 3.684 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1ccc(Cl)c(F)c1 1116429634 XQSSYSVHHQXPNN-VIFPVBQESA-N 286.803 3.580 30 20 CHED C=CCCc1nnc(-c2ccc(OC(C)C)c(OC)c2)o1 1117233032 IOJPQVHOWXBYSA-UHFFFAOYSA-N 288.347 3.651 30 20 CHED Brc1ccc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)s1 774592415 DCFMVXJJCXRCJK-ATZCPNFKSA-N 299.237 3.623 30 20 CHED CC#CCN(Cc1ccccc1O)[C@H](C)c1ccccc1 776009248 IVHZZLYKSIELSN-MRXNPFEDSA-N 279.383 3.979 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CC[C@@H](C)C1 776291332 KQGRWLADKKTXNS-KOLCDFICSA-N 293.750 3.562 30 20 CHED C=CC[C@@H](NC(=O)NC(C(C)C)C(C)C)c1ccncc1 770396809 QUPSDNVHHBBQOX-OAHLLOKOSA-N 289.423 3.679 30 20 CHED C#CCCCCCC(=O)N(CCCC)c1ccncc1 876289854 USDMMBKCVFVFKP-UHFFFAOYSA-N 272.392 3.798 30 20 CHED CCCCCCCC[C@H](C)CC(=O)Nc1nncn1C 779420905 PGKHCVPJIIXCIL-ZDUSSCGKSA-N 280.416 3.530 30 20 CHED Oc1ccccc1/C=N\[C@H]1CCCOc2cc(F)ccc21 776725792 OUMXWOVGTVQWPA-VUQQOUJSSA-N 285.318 3.864 30 20 CHED C#CCOc1ccc(F)cc1NCc1cccn1C1CC1 1119340252 VCUWZIGNMSZCJM-UHFFFAOYSA-N 284.334 3.586 30 20 CHED C=C(CC)COC(=O)Cc1ccc(C(F)(F)F)cc1 773456628 OIEZEWAMYHIYRF-UHFFFAOYSA-N 272.266 3.757 30 20 CHED C[C@@H](CCC#N)CNc1ccc2c(c1)OC(C)(C)O2 877160341 IREYRIVFTADVIR-NSHDSACASA-N 260.337 3.546 30 20 CHED C=C(C)CCOC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C 778656272 MBTCBHLWRBFQHR-CQSZACIVSA-N 299.773 3.591 30 20 CHED CCc1c(C)sc(NC(=O)c2ncc(C)cc2C)c1C#N 779910831 RTMPGMHHCNYSSZ-UHFFFAOYSA-N 299.399 3.755 30 20 CHED C=CCN(C)Cn1nc(-c2ccc(C)c(C)c2)oc1=S 777540394 HPRVCEUTSUHPFC-UHFFFAOYSA-N 289.404 3.565 30 20 CHED C=C(CC)COC(=O)[C@H]1SCCc2sccc21 773519705 NPQIBKPWEZDWDI-LBPRGKRZSA-N 268.403 3.588 30 20 CHED N#CCc1ccccc1CC(=O)NCC1CCCCCCC1 776836666 OXXAVHPYMJDZPE-UHFFFAOYSA-N 298.430 3.772 30 20 CHED Cc1ccc(/C=C2\CC(=O)Nc3ccccc3C2=O)s1 774144601 KGJZRXBGMRRNHI-DHZHZOJOSA-N 283.352 3.665 30 20 CHED C[C@@H](CNCc1ccc(C#N)cc1F)c1cccc(F)c1 772918465 LBBCXKJMQQBASO-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C#CCCCOC(=O)C(C)(C)c1cccc(Cl)c1F 772477495 IOULIWIHRMRLDG-UHFFFAOYSA-N 282.742 3.713 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)c1 1129715862 SCPBTRBQCUIGRH-VIKVFOODSA-N 286.350 3.852 30 20 CHED COc1ccc2cc(C(=O)O[C@@H](C#N)C(C)(C)C)ccc2c1 1122720454 IUZYJMYRBYJBHX-INIZCTEOSA-N 297.354 3.943 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1noc2c1CCCCC2 1120814261 ZYBRDHKQKNPVEQ-ZDUSSCGKSA-N 288.391 3.514 30 20 CHED CCCCOc1ccc(C(C)=NNc2cc(C)ncn2)cc1 789018164 QCDPQSJETOPARQ-UHFFFAOYSA-N 298.390 3.800 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1ccc(-c2ccccc2)nn1 889444405 ORFFRYGADZEXBN-UHFFFAOYSA-N 295.386 3.709 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C(/C)c1ccc(F)cc1 785861475 AJCQIWRTIIFBFN-AHKFDXCISA-N 273.351 3.796 30 20 CHED C=CC(C)(C)CC(=O)N(C)C1CCC(F)(F)CC1 880012333 QDOZVEUXYDSNNX-UHFFFAOYSA-N 259.340 3.625 30 20 CHED COc1ccc(C(C)=NOC[C@@H]2CCOC2)c2ccccc12 788035338 ZMIDKWQDGZTNEG-CQSZACIVSA-N 299.370 3.626 30 20 CHED Cc1cc(C(=O)/C=C\c2scnc2C2CC2)ccc1O 782327566 RQHQVBNJVOOJFN-SREVYHEPSA-N 285.368 3.931 30 20 CHED CCOc1cccc(C=Nc2cc(CO)c(C)cc2C)c1O 787140533 HLPLQIVUGPAIIC-UHFFFAOYSA-N 299.370 3.651 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc(OCC)cc1 785593061 DSGCKQMBTMIINY-INIZCTEOSA-N 261.365 3.650 30 20 CHED N#Cc1ccc(F)c(NC(=O)C2CCC3(CC2)CC3)c1 891452587 ADXFVOHFZHUGRY-UHFFFAOYSA-N 272.323 3.606 30 20 CHED Cc1ccc(C(=O)OCc2ccc(Cl)cc2C#N)s1 780035641 ONCOPVUQRXGYLO-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(CC#N)c1ccccn1 892465115 RHSADQLYMHLVNJ-OAHLLOKOSA-N 287.407 3.935 30 20 CHED C=C1CC(c2noc(Cc3c[nH]c4cccc(OC)c34)n2)C1 896885000 WOOABKGGWKIODT-UHFFFAOYSA-N 295.342 3.584 30 20 CHED Brc1cncc(NN=C2CCC23CCCC3)c1 788722669 YVHIRRSEJUABKJ-UHFFFAOYSA-N 294.196 3.966 30 20 CHED COC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 782828442 FHCWRAWYPKGHST-GFCCVEGCSA-N 280.327 3.642 30 20 CHED CCC(=NOC[C@H]1CCOC1)c1c(F)cccc1Cl 788032695 BFSIAPKXCHRFMQ-JTQLQIEISA-N 285.746 3.646 30 20 CHED CC#CCOC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1 781748761 AUXYJFWFGVVKSG-UHFFFAOYSA-N 292.762 3.506 30 20 CHED C=CC[C@H](C)NC(=O)c1c(Cl)cccc1OCC1CC1 895049383 QUQLNIHOWOLKRY-NSHDSACASA-N 293.794 3.823 30 20 CHED N#Cc1ccc(NCc2cc3c(s2)CCCC3)c(CO)c1 891896241 TVAFRTXCBCKAEW-UHFFFAOYSA-N 298.411 3.603 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cncs1 799493817 QQSIXSASNGVSPF-UHFFFAOYSA-N 259.378 3.850 30 20 CHED C=C(Cl)C[S@@](=O)[C@H]1CCc2cc(Cl)ccc21 794791430 VRVBUVUBKUDGLE-BLLLJJGKSA-N 275.200 3.829 30 20 CHED COc1c(C)cc(C(C)=NOCC(F)F)cc1Cl 794929738 ZYFCNDGYQQXSPR-UHFFFAOYSA-N 277.698 3.663 30 20 CHED C=CCCCCN[C@H](CC)c1ccc(F)cc1O 796944709 FDJKBTVDAGJJEO-CQSZACIVSA-N 251.345 3.928 30 20 CHED N#Cc1cc(Cl)ccc1N1CC[C@@H](c2ccccn2)C1 798417139 RYNJWBLARNKSRB-GFCCVEGCSA-N 283.762 3.601 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1cc(F)cc(F)c1O 798936869 MEJWDVACIACELR-KOLCDFICSA-N 255.308 3.676 30 20 CHED C[C@@H]1CCC[C@H](CCOC(=O)c2ccc(C#N)o2)C1 796148837 SNDIJUHEZWJUPH-VXGBXAGGSA-N 261.321 3.524 30 20 CHED Cc1cccc2c1C/C(=C\c1ccnn1C(C)C)C2=O 794942121 IGRIJPLPXPAGGW-UKTHLTGXSA-N 266.344 3.595 30 20 CHED CCCCN(C)c1ccc(NC(=O)c2ccc(C#N)o2)cc1 794308953 MAKQTAXWICLHFJ-UHFFFAOYSA-N 297.358 3.640 30 20 CHED C=CCCCCC[C@H](C)NCCc1cn2ccccc2n1 793528381 XVHBGGNZJBHHAJ-INIZCTEOSA-N 285.435 3.991 30 20 CHED C#C[C@@H](CCC)NC(=O)CCC(=O)c1ccc(CCC)cc1 791213576 QFNOFGBYSAYKMS-KRWDZBQOSA-N 299.414 3.520 30 20 CHED Fc1cccnc1NN=C1CC[C@H]2CCCC[C@@H]2C1 794994041 RGNVWNNJNBNZRL-VXGBXAGGSA-N 261.344 3.979 30 20 CHED C=CCCCCCOC(=O)CCc1cncc(C)c1 796129829 XXJWOPKZCBWFCL-UHFFFAOYSA-N 261.365 3.612 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCC(F)(F)CC2)c1 795270967 HBQVRDUXYCMMPM-UHFFFAOYSA-N 290.235 3.813 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc(N)c([N+](=O)[O-])c1 799107533 DYDSNJGZUQSIFC-UHFFFAOYSA-N 298.346 3.630 30 20 CHED Cc1cc([C@@H]2CCCN2c2ccc(C#N)cc2C)no1 891701610 CIWHTEDDYHWFQM-INIZCTEOSA-N 267.332 3.505 30 20 CHED Cc1cccnc1NN=C1CCC[C@H](c2cccnc2)C1 799886066 IYXPGGGLFDJLHJ-AWEZNQCLSA-N 280.375 3.911 30 20 CHED Clc1cccc(NN=Cc2ccc3occc3c2)n1 793174127 INWBPRDJTYJWNY-UHFFFAOYSA-N 271.707 3.927 30 20 CHED CC(C)[C@H](NCCCC(C)(C)C#N)[C@H](O)c1ccccc1 794601942 VHESJBFNGJJPAB-DLBZAZTESA-N 288.435 3.664 30 20 CHED CC(=NNc1ccc(F)cc1)c1c(C)cc(C)cc1O 799864907 LRBBTZIVGNLXDA-UHFFFAOYSA-N 272.323 3.984 30 20 CHED C/C(=C/C(=O)N(C1CC1)C1(C#N)CCC1)c1ccccc1 791004212 ZSDNRNXBDBYQHD-OWBHPGMISA-N 280.371 3.527 30 20 CHED C[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)C1CC1 1185018028 RQDCHUNXNOPROW-NSHDSACASA-N 257.381 3.709 30 20 CHED CCN(C[C@@H](C)CCC#N)[C@@H](COC)Cc1ccccc1 1308621259 GHXUTAVOABUFOL-FUHWJXTLSA-N 288.435 3.506 30 20 CHED C[C@@H]1CCC(C)(C)N1Cc1ccc(C#N)cc1Cl 1307834927 RHKNGEWIKIZYRT-LLVKDONJSA-N 262.784 3.975 30 20 CHED Cc1cc(N2CC[C@@H](C3CCCCC3)C2)ncc1C#N 1167065531 PUYRZPQDHDBMMK-OAHLLOKOSA-N 269.392 3.668 30 20 CHED Cc1nc(C#N)cc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 1307112418 SJBZSGBWTVSFOY-MQMHXKEQSA-N 298.777 3.668 30 20 CHED CCCCC1CCC(Nc2cc(C#N)nc(C)n2)CC1 1160622848 HPKUHXYHFNDEIG-UHFFFAOYSA-N 272.396 3.818 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC 136165310 HEUWVBDVFNWERI-CQSZACIVSA-N 280.755 3.535 30 20 CHED C=CCC1(NCC[C@H](O)c2ccccc2)CCCC1 721311396 WFMIXHHAYKGPHG-INIZCTEOSA-N 259.393 3.589 30 20 CHED C=C(Cl)CN[C@H](CC)c1cc(Cl)ccc1O 390745940 ABFOZIZOKNDNAA-LLVKDONJSA-N 260.164 3.839 30 20 CHED N#Cc1ccc(NCc2cc(F)cc(Cl)c2)cc1 83442296 DBSXFBGFHZOKGZ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C=CCCC2)c(Cl)c1 275024463 IWMTYSPBTWUVBK-NSHDSACASA-N 274.751 3.897 30 20 CHED CN(CCNc1cccc(Cl)c1C#N)c1ccccc1 514315596 CUXUKCOQMAZGIR-UHFFFAOYSA-N 285.778 3.760 30 20 CHED CCN(Cc1cc2ccccc2s1)C[C@@H](C)C#N 91982775 CDKWJTPNUNWVRT-LBPRGKRZSA-N 258.390 3.883 30 20 CHED C[C@@H](Sc1cccs1)C(=O)Nc1cccc(C#N)c1 20078193 VLAMUUCHCANGFK-SNVBAGLBSA-N 288.397 3.739 30 20 CHED Cc1nc2ccc(NC(=O)CC#Cc3ccccc3)cc2o1 1323858598 YZWPZSFYPOYCDW-UHFFFAOYSA-N 290.322 3.517 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2cccs2)cc1 280280767 SGAUSHRAMXQRQL-AWEZNQCLSA-N 254.358 3.961 30 20 CHED COc1ccnc(CSCCCC(C)(C)C#N)c1OC 1320680392 KMOJARPIDFNVQD-UHFFFAOYSA-N 294.420 3.662 30 20 CHED N#Cc1csc(CNc2ccsc2Cl)c1 189527613 MYQYTGLXOWFRRY-UHFFFAOYSA-N 254.767 3.947 30 20 CHED COc1cc(C)ccc1CNc1cccc(C#N)c1C 1178831257 MLHYMFNETRYEGR-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CC(=NNc1ccn(C)n1)c1ccc(-c2ccccc2)o1 1320695329 DLHHVTXNTXANBI-UHFFFAOYSA-N 280.331 3.516 30 20 CHED FCCC[C@H]1CCCC1=NNCc1ccc(F)cc1 1322675289 FCZOIPUYBZRPEN-CYBMUJFWSA-N 266.335 3.821 30 20 CHED CC(C)CN(CCC#N)Cc1csc(-c2ccco2)n1 739914961 UKAMLPNDZLGBCM-UHFFFAOYSA-N 289.404 3.775 30 20 CHED CC[C@H](CNc1cc(C#N)ccc1C)CC(F)F 594702323 UYGASWVYWDPROO-NSHDSACASA-N 252.308 3.960 30 20 CHED C=C(C)CCC(=O)NCc1ccccc1OC(F)(F)F 1337744890 ZXDLEPDVMDMDKN-UHFFFAOYSA-N 287.281 3.558 30 20 CHED C=CCC[C@@H](NC1CC(CC(=O)O)C1)c1ccccc1 1333148545 LHUSVJFFVIIJHL-AVVWSFFYSA-N 273.376 3.537 30 20 CHED C=CCC[C@H]1CCCN1c1ncc(C#N)cc1Cl 1337325396 OXQTVTILVIXTKA-LBPRGKRZSA-N 261.756 3.542 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1264187816 JZQGZXCAMWEOHM-BONVTDFDSA-N 276.767 3.976 30 20 CHED O=C(C=C1CCC1)[C@@H]1CCC[C@H]1C(=O)C=C1CCC1 1263610652 WLVJJIDKBPZJIS-HUUCEWRRSA-N 258.361 3.762 30 20 CHED C=C(C)CCC(=O)Nc1ccc(OC(C)C)c(OC)c1 1262618989 MAZKRNSWAJVXRE-UHFFFAOYSA-N 277.364 3.777 30 20 CHED CCOc1ccc2ccccc2c1C(=O)OC[C@@H](C)C#N 1342994387 QWMNQIMMPMSWRI-LBPRGKRZSA-N 283.327 3.555 30 20 CHED CC(C)OC(=O)O[C@@H](C)Sc1cccc(F)c1C#N 1261597160 QHTBQGNKFHLAHG-SECBINFHSA-N 283.324 3.697 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H]1c1cncc(C)c1 1347464407 YVOOSSWRPOWSDZ-INIZCTEOSA-N 272.392 3.656 30 20 CHED Cc1cc(C#N)nc(N[C@H]2CCCc3cc(C#N)ccc32)c1 1352052007 CFFVSDOKDPMQIY-KRWDZBQOSA-N 288.354 3.623 30 20 CHED C=C1CCC(C(=O)N2CCc3ccc(Cl)cc3C2)CC1 1350298237 GKXPNSADWGJMOP-UHFFFAOYSA-N 289.806 3.971 30 20 CHED N#Cc1cc(NC(=O)[C@@H](F)CC2CCCCC2)ccc1F 1352455925 PLCUMTMDJWVNRE-HNNXBMFYSA-N 292.329 3.944 30 20 CHED CC[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@@H]1C 1459986758 PCYFXABSKNRDEQ-CHWSQXEVSA-N 292.810 3.863 30 20 CHED Cc1cc(C#N)ccc1CN1c2ccccc2OC[C@H]1C 1459729603 ZWYRUEIJWHNPAK-CQSZACIVSA-N 278.355 3.654 30 20 CHED N#Cc1c(NC2CCCC2)nc2c(c1C#N)CCCCCC2 1458063894 ZELKYTCMJWWHRA-UHFFFAOYSA-N 294.402 3.838 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)ccc1F)c1ccsc1 1525018860 ITPHAEZPANEKEM-SECBINFHSA-N 274.320 3.501 30 20 CHED CC[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)[C@@H]1C 1539122107 QHFPDEZTCVMOSO-CHWSQXEVSA-N 288.416 3.563 30 20 CHED CC1(CNC(=O)Nc2ccc(C#N)c(F)c2)CCCCC1 1466773128 UHBMEDABPLNSQY-UHFFFAOYSA-N 289.354 3.789 30 20 CHED C=CCCC[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)C(=O)O 1602863728 SIHPXEHKCNYODG-KBPBESRZSA-N 295.423 3.519 30 20 CHED COc1ccc(SCc2ccc(C#N)s2)cc1 1613190259 QVHPXJATIMEKHA-UHFFFAOYSA-N 261.371 3.921 30 20 CHED CO[C@@H]1CCC[C@H](Sc2ccc(C#N)cc2F)C1 1613565902 KQZQGBSPPBZRJU-NEPJUHHUSA-N 265.353 3.747 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 1623025538 PQLPHYUWQQBNBE-NWDGAFQWSA-N 289.354 3.645 30 20 CHED CCCOC1(CN[C@H]2CCC[C@H](C#N)C2)CCCCC1 1621313569 GYQBOGYIXPUYIH-HOTGVXAUSA-N 278.440 3.788 30 20 CHED C[C@@H]1CC(=NC(=O)c2ccc(C3CCCCC3)cc2)NO1 1637841853 RRYRAEBITWGBLA-GFCCVEGCSA-N 286.375 3.586 30 20 CHED CCc1nc(C#N)cc(S[C@H](C)c2ccc(OC)cc2)n1 1642148802 YAZIHCHNLPLGJV-LLVKDONJSA-N 299.399 3.773 30 20 CHED Cc1ccc2c(c1F)N(Cc1cccc(C#N)c1)CCC2 1658908917 GTPAUZSTKWZEQA-UHFFFAOYSA-N 280.346 3.959 30 20 CHED Cc1cc(C)c2c(c1)N(Cc1cc(C#N)ccn1)CCC2 1657699136 NDDSYDJUMZEMGB-UHFFFAOYSA-N 277.371 3.523 30 20 CHED Cc1ccc(C)c([C@@H](C)OC(=O)c2ncc(C#N)cc2C)c1 1584219122 VIHCKIRAOXKXNM-CQSZACIVSA-N 294.354 3.797 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2F)sc1C 1596928525 JWQHYZJKZSRLSU-UHFFFAOYSA-N 274.320 3.628 30 20 CHED CC1CCC(CNC(=O)Nc2ccc(F)cc2C#N)CC1 1669604657 GBYZFRPCPXDCAT-UHFFFAOYSA-N 289.354 3.645 30 20 CHED CCN(Cc1cccs1)C(=O)Nc1sccc1C#N 1673279016 OBDVGHQRBIOUGR-UHFFFAOYSA-N 291.401 3.735 30 20 CHED C=CCC(C)(C)CC(=O)Nc1ccc([C@H](C)C(=O)O)cc1 1776150888 XZYHLRIWGORAPQ-LBPRGKRZSA-N 289.375 3.806 30 20 CHED CC(C)c1ccc(CN(C)C(=O)c2ccc(C#N)cc2)cc1 15386994 QMVIGWXXDRKEQM-UHFFFAOYSA-N 292.382 3.954 30 20 CHED C[C@H](SCCCCC#N)c1cn(-c2ccccc2)nn1 161954237 CYEXRYAHUPLSQC-ZDUSSCGKSA-N 286.404 3.755 30 20 CHED C=CCC[C@H](N[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 160022198 UWRLDMNKSHZJRK-JQHSSLGASA-N 272.436 3.766 30 20 CHED CC(C)(C)C1=CCN(c2nc3c(cc2C#N)CCC3)CC1 160767486 CSJLSKYRYBAGOC-UHFFFAOYSA-N 281.403 3.625 30 20 CHED CCN(C(=O)CC1CCCCC1)c1ccc(C#N)cc1 151950884 QSUBMBJFMVZRID-UHFFFAOYSA-N 270.376 3.882 30 20 CHED C#CCCCCNC(=O)N1CCCCC[C@@H]1c1ccco1 155009627 LPPOXLRBYIYNPJ-OAHLLOKOSA-N 288.391 3.710 30 20 CHED CCC[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 155062504 UWILJJQQPBHBQM-KRWDZBQOSA-N 284.403 3.530 30 20 CHED COc1ccc(C[C@H](C)CNCc2ccc(C#N)cc2)cc1 157942328 HBOPXKCBOYOOHP-HNNXBMFYSA-N 294.398 3.535 30 20 CHED C=CCC[C@H](CCC)N[C@@H](COC)c1ccco1 156729381 HNOLYXTYFMIGIW-KBPBESRZSA-N 251.370 3.692 30 20 CHED C=C(C)CNC(=O)Nc1ccc(OCCCC)cc1C 156820656 SUTDUDWIUTUQOC-UHFFFAOYSA-N 276.380 3.872 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccnc(C)c1Cl 159679676 LTPAKRNHMOLJRV-SNVBAGLBSA-N 281.787 3.910 30 20 CHED Cc1ccc(F)c(NCc2cc(C#N)ccc2F)c1 20471914 ADUNGEXCHLSZNU-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C#Cc1ccc(CNc2ccccc2OCC)cc1 809597943 SFSNUTSXOIJYRO-UHFFFAOYSA-N 251.329 3.679 30 20 CHED C#CCSCCN[C@H](C)c1cccc2ccccc12 226326375 RFIJOBBHWZJDKK-CQSZACIVSA-N 269.413 3.857 30 20 CHED C[C@H](CNc1nc2ccccc2cc1C#N)C1CC1 226798196 DVZLCUXCNAULAQ-LLVKDONJSA-N 251.333 3.564 30 20 CHED C[C@@H]1CCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N 230683612 MEWJCAIUDDJLBG-MWLCHTKSSA-N 283.297 3.820 30 20 CHED COc1ccc([C@H](C)Nc2nccc(C#N)c2Cl)cc1 234961888 PSUNEHYYAUBUGQ-JTQLQIEISA-N 287.750 3.788 30 20 CHED N#CCCCOc1cccc(NCc2ccco2)c1 37777400 BXXAAJSMFAWDOQ-UHFFFAOYSA-N 256.305 3.574 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)s1 49160214 IBBDEHNYLLFGRN-CYBMUJFWSA-N 286.400 3.810 30 20 CHED CCC[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 182732090 ODHQNLHPQOZHDZ-OAHLLOKOSA-N 271.364 3.745 30 20 CHED N#Cc1ccc(F)cc1CN1CCC[C@@H]2CCCC[C@H]21 300406331 VDNABBHORNTQNM-SUMWQHHRSA-N 272.367 3.852 30 20 CHED N#Cc1ccc(Oc2nc3ccccc3o2)c(F)c1 301699829 PEMCUXIPIFQKQL-UHFFFAOYSA-N 254.220 3.631 30 20 CHED Cc1cccc([C@@H](O)CNc2ccc(Cl)cc2C#N)c1 301680976 FPIQKBWPAFXPNV-INIZCTEOSA-N 286.762 3.666 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 608816106 SQRXZAVVVRNAER-CMPLNLGQSA-N 296.823 3.629 30 20 CHED C[C@H](CC(=O)N1CCc2ccc(C#N)cc21)C(C)(C)C 339823244 TXHAKLWOABDJHM-GFCCVEGCSA-N 270.376 3.520 30 20 CHED C=CCCC[C@H](C)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 496434838 WIPVSFGWOAGYLN-UONOGXRCSA-N 296.455 3.576 30 20 CHED Cc1cc(C=NOCc2ccccc2)cnc1Cl 760238804 DKZAHHUIVQZJKF-UHFFFAOYSA-N 260.724 3.594 30 20 CHED N#Cc1ccnc(NC[C@H]2CCCC[C@H]2C(F)(F)F)c1 288631742 WNXCJWTZTGLCLI-VXGBXAGGSA-N 283.297 3.734 30 20 CHED CCN(Cc1ccccc1C#N)Cc1c(F)cccc1F 59409672 NFPFSBXEUYIYRW-UHFFFAOYSA-N 286.325 3.859 30 20 CHED N#CCCCOC(=O)C1(c2cccc(Cl)c2)CCCC1 58857358 VLIYDVVZYPEKER-UHFFFAOYSA-N 291.778 3.999 30 20 CHED C=CCN(CCOC(C)C)Cc1ccc(Cl)s1 52892239 DWYSOPSRNFZSRM-UHFFFAOYSA-N 273.829 3.815 30 20 CHED CC(C)[C@@H](CNCc1cc(C#N)cs1)c1cccnc1 177596582 RCDWDGXLZIYLIQ-MRXNPFEDSA-N 285.416 3.544 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)CCc1cccc(F)c1 173424960 NEUDBSWQVRNYOU-CQSZACIVSA-N 277.383 3.819 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCC1(C)C 178575136 SNWDHQFNCJGQJT-CQSZACIVSA-N 271.364 3.567 30 20 CHED C=CCN(C(=O)c1sc(C)nc1C)c1ccccc1 58642188 RSHHMPQFMDLFGH-UHFFFAOYSA-N 272.373 3.593 30 20 CHED C=CCn1c(S[C@@H]2C=CCCC2)nnc1-c1ccccn1 178310477 FBZNOZINXDPPHZ-CYBMUJFWSA-N 298.415 3.727 30 20 CHED CC(C)Oc1ccccc1NC(=O)Nc1ccc(C#N)cc1 51371970 KKJJQTYKKGBYCE-UHFFFAOYSA-N 295.342 3.989 30 20 CHED CC(C)c1ccc(S(=O)(=O)Cc2cccc(C#N)c2)cc1 105524526 XMBRKBZRRRXALU-UHFFFAOYSA-N 299.395 3.656 30 20 CHED C=CCCCN(C)Cc1ccc(SC)c(OC)c1 117875362 AZYFOGLSXVHHPI-UHFFFAOYSA-N 265.422 3.815 30 20 CHED COc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1C#N 174346293 SOSZYOBTHQEJLA-UHFFFAOYSA-N 298.361 3.731 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2Cc2ccccc2)c(F)c1 25359712 DTXDONQVOGZRMN-SFHVURJKSA-N 294.373 3.904 30 20 CHED N#Cc1ccc(CNc2ccc(N3CCCC3)c(F)c2)cc1 119803394 FZDCISIGJPOUMG-UHFFFAOYSA-N 295.361 3.910 30 20 CHED Cc1cc(F)cc2c(NCc3ccco3)c(C#N)cnc12 301364205 RQAAWDHKBHEBHE-UHFFFAOYSA-N 281.290 3.759 30 20 CHED CSCCCCCC/N=C(\N)NC1CCCCCC1 305814285 LEZUPZUXKCZZRG-UHFFFAOYSA-N 285.501 3.537 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H](COCC)C1 113827870 FLUHSCDILLIWHO-OAHLLOKOSA-N 269.429 3.622 30 20 CHED Cc1cc2occ(CC(=O)N[C@H](C)CC#N)c2cc1C(C)C 64346279 WRCQORBPNODTED-CYBMUJFWSA-N 298.386 3.826 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)oc1C 129434363 TVVUSMPXBJWRGL-LLVKDONJSA-N 288.372 3.966 30 20 CHED CCc1ccc(CNc2c(C#N)cccc2C#N)s1 302470041 UCIOEYOZUSNHPP-UHFFFAOYSA-N 267.357 3.666 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 354761877 KYGFFVQAEVVEOB-LALPHHSUSA-N 271.364 3.504 30 20 CHED CC(C)(C#N)c1ccccc1CSc1ncccn1 178617791 VRUYCDGKRTZHPP-UHFFFAOYSA-N 269.373 3.570 30 20 CHED CCO[C@@H]1C[C@H](N(C)c2ccc(C#N)cn2)C12CCCCC2 301492973 PWVZJBXBEYGKDP-JKSUJKDBSA-N 299.418 3.517 30 20 CHED C=CCCCC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 176104959 RBKMWZRKULKSPI-GFCCVEGCSA-N 291.395 3.651 30 20 CHED Cc1ccc([C@@H](O)CNc2c(Cl)cccc2C#N)cc1 301356656 KTTOGSVQDPBHKO-HNNXBMFYSA-N 286.762 3.666 30 20 CHED Cc1ccc(-c2noc(C3(C#N)CCCCC3)n2)cc1F 177722290 ZMXMLVYEISKKNN-UHFFFAOYSA-N 285.322 3.910 30 20 CHED C=CCn1c(S[C@H](C)CCC)nnc1-c1cccnc1 178412044 YZDGUWKNKGHVKR-GFCCVEGCSA-N 288.420 3.807 30 20 CHED Cc1cc2cc(C(=O)O[C@H](C#N)C3CC3)oc2cc1C 124548053 ABTLAFBLNGTIBU-OAHLLOKOSA-N 269.300 3.509 30 20 CHED CCS[C@H]1CCC[C@@H]1NCCCC(C)(C)C#N 300678063 YBZBFNCSGWFFRC-STQMWFEESA-N 254.443 3.580 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cccc(OC3CCCC3)c2)C1 179895521 KJHCXVFBUGDIEL-GUYCJALGSA-N 299.370 3.857 30 20 CHED N#Cc1cc(NC(=O)c2ccc(Cl)o2)ccc1Cl 122103374 FTWYDGNTSJTFQW-UHFFFAOYSA-N 281.098 3.710 30 20 CHED CC[C@@H](C)Oc1ccc(Nc2cccc(C#N)n2)cc1 301877894 YSYTZWAUTCMZJL-GFCCVEGCSA-N 267.332 3.874 30 20 CHED CN(C(=O)c1c[nH]c(C#N)c1)C1CCC(C(C)(C)C)CC1 408124907 UOKBBTLGCVIKDY-UHFFFAOYSA-N 287.407 3.563 30 20 CHED CC(C)c1cccc(N/C(N)=N/C[C@@H]2Cc3ccccc32)c1 303883249 MAQFHAAFZVXRQN-INIZCTEOSA-N 293.414 3.877 30 20 CHED C#CCCCCNC(=O)c1ccc(Cl)c(Cl)c1 156069490 SACVKVKKRAYSBW-UHFFFAOYSA-N 270.159 3.527 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2cnn(CC)c2)cc1 210075928 SQDGUCVFNLUPLQ-XFXZXTDPSA-N 297.402 3.645 30 20 CHED C=C[C@H]1CCCCN1Cc1csc(CCC)n1 489445115 ZQNSTOUQNWITSA-ZDUSSCGKSA-N 250.411 3.636 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(COCC)c1 187956407 DZYCSWHDIYDCGS-MRXNPFEDSA-N 261.365 3.764 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)c1cccs1 34992361 XAXSYGAFNFJZJP-LBPRGKRZSA-N 272.373 3.501 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)C(C)(F)F 413837811 RIEMBHATKRKRII-TZMCWYRMSA-N 296.361 3.517 30 20 CHED CC(=O)Nc1ccc(NCc2ccc(C#N)cc2)cc1Cl 36983142 FIVVFESDLYEFKV-UHFFFAOYSA-N 299.761 3.782 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 412181039 WZKORDTYCDXELZ-MJGOQNOKSA-N 298.430 3.969 30 20 CHED C#CCCCCC(=O)Oc1ccc(OC(C)C)cc1 120162125 TTYKNIAGKXNIDI-UHFFFAOYSA-N 260.333 3.573 30 20 CHED C[C@H]1CCc2c(sc(NC(=O)CC3CCC3)c2C#N)C1 73851313 AFJCEZQIEHRFCO-JTQLQIEISA-N 288.416 3.873 30 20 CHED CCc1nnc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(C#N)c1CC 124980320 JYXQZXTZWJFEDF-BFQNTYOBSA-N 286.423 3.710 30 20 CHED CC[C@@H](CC#N)NCc1cnc(-c2ccccc2)s1 184085259 FSJKKFGJRKTYIZ-ZDUSSCGKSA-N 271.389 3.592 30 20 CHED CCCN(CC(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411359511 DQXDMNFPPTULIZ-DLBZAZTESA-N 284.403 3.556 30 20 CHED CCCC[C@@H](CC)/C(O)=N/c1nc(C(F)(F)F)n[nH]1 72673292 WKDJVSYJEBBONU-SSDOTTSWSA-N 278.278 3.628 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc2ccccc2c1 125004831 HXKLXTITOPOQLN-CYBMUJFWSA-N 269.344 3.760 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cc(C(C)C)no1 72804105 HYAWIORWINNHJG-UHFFFAOYSA-N 291.395 3.590 30 20 CHED CCN(CCOc1ccc(C#N)cc1)Cc1ccccc1C 509041845 SILMUQIIGVTOCO-UHFFFAOYSA-N 294.398 3.768 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)c2cccc(F)c2C#N)c1 188219290 OZNBNXAPNYFBHG-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED CC(C)(C)c1ccc(C(=O)NCc2ccc(C#N)cc2)cc1 315439952 MPOWTURTPVYTNY-UHFFFAOYSA-N 292.382 3.786 30 20 CHED C=CCCC1(C(=O)N2CCSC3(CCC3)CC2)CC1 412465924 RLNVJNJBDUQGDA-UHFFFAOYSA-N 279.449 3.621 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)Cc1cccc(C2CC2)c1 415387991 HLVLLZCCAFLOFC-SFHVURJKSA-N 284.403 3.551 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2ccccc2)cc1 49873582 UYMUVMZHXPBIBH-KRWDZBQOSA-N 278.355 3.586 30 20 CHED N#Cc1ccc(C(=O)NCc2cccc3ccccc23)cc1 74376521 CSASQABDMNKNLT-UHFFFAOYSA-N 286.334 3.641 30 20 CHED CC(C)(C#N)CCSCc1nnc(C2CC2)s1 419478332 RMRLHKQOLAMZBW-UHFFFAOYSA-N 267.423 3.589 30 20 CHED C=CCCC[C@H](C)Nc1ncnc2oc(C)c(C(C)=O)c12 183444773 UJWGLNLXNLECDW-JTQLQIEISA-N 287.363 3.891 30 20 CHED N#CCc1cccc(NCCCCC(F)(F)F)c1 453136261 BFIKEYAHIXELMF-UHFFFAOYSA-N 256.271 3.897 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(CC[C@H](C)O)cc1 186132394 HILYDXJIKNVKCB-HNNXBMFYSA-N 295.382 3.759 30 20 CHED CCCCCN(CCCOC)Cc1ccc(C#N)cc1F 505818300 IHBDHAJHVWWVEZ-UHFFFAOYSA-N 292.398 3.726 30 20 CHED C=C(C)[C@H](NC(=O)[C@H](C)CC)c1ccc(F)c(F)c1 186041139 RUKRNDHREWHAHU-YGRLFVJLSA-N 267.319 3.744 30 20 CHED CC(C)(C#N)CCCS(=O)(=O)Cc1cccc(Cl)c1 83025326 CZFJZOAAHJATGT-UHFFFAOYSA-N 299.823 3.585 30 20 CHED N/C(=N\OCc1cccc2ccccc12)c1cccs1 48376161 ZIUHASWNCGXZOC-UHFFFAOYSA-N 282.368 3.738 30 20 CHED Cc1csc([C@H](/N=C(/O)[C@H]2CCCOCC2)C2CC2)n1 329878026 KCUAJYZRCAWNFH-QWHCGFSZSA-N 294.420 3.676 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C/c2ccnn2C)cc1 45110829 JRLBVHRILFGSBP-CMDGGOBGSA-N 268.360 3.515 30 20 CHED C=CCC[C@H](C)NC[C@H](c1ccccc1)N1CCCC1 130509673 YWCQKJCDPMSSSD-FUHWJXTLSA-N 272.436 3.768 30 20 CHED C=CCC[C@@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1 133896791 JHPJKVXSUOWWMT-IXDOHACOSA-N 269.388 3.856 30 20 CHED C[C@@H]1CCCCN1c1nc(C(C)(C)C)ccc1C#N 613408991 DPZSTEQOZMZOEB-GFCCVEGCSA-N 257.381 3.630 30 20 CHED Cn1c(N=C(O)[C@@H]2CCCC(C)(C)C2)nc2cccnc21 329475573 BENVIAXKRJHRAQ-LLVKDONJSA-N 286.379 3.773 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC1CCSCC1 131968061 YYIBEGZQPUVCHU-UHFFFAOYSA-N 289.444 3.735 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 136859334 HEYYOPGVJBNJJO-HNNXBMFYSA-N 296.395 3.873 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2ccccc2)CCC1 42034629 NUVKGZSLRBWJOK-UHFFFAOYSA-N 257.377 3.533 30 20 CHED CC(C)Oc1ccc(N[C@@H](C)c2ccccn2)cc1C#N 191174458 SEIIXVAKOXAXPB-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(c2ccc(F)cc2)CC1 190700460 SPYWUOHDZYSCTP-INIZCTEOSA-N 275.367 3.576 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)o1 425368752 XSMBGTGGAJPLJJ-NSHDSACASA-N 274.751 3.998 30 20 CHED CC(C)SCC(=O)Nc1sc(C(C)(C)C)cc1C#N 518927088 XTKJHWDFODFPDT-UHFFFAOYSA-N 296.461 3.997 30 20 CHED Cc1cc(CN(C)Cc2cccc(C#N)c2)ccc1F 130762541 RDLZNBLBVMENOL-UHFFFAOYSA-N 268.335 3.638 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1F 191973151 XVPNYJGHSWRVSW-QGZVFWFLSA-N 280.346 3.687 30 20 CHED C=CCC1(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CCC1 190294143 PCKDJNBIZSDGJP-IRXDYDNUSA-N 299.414 3.769 30 20 CHED CSC1(CNc2cc(Cl)ccc2C#N)CC1 227990782 YWDAIGXVTHXPDF-UHFFFAOYSA-N 252.770 3.519 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)OCC(C)(C)CCC#N 195053124 WJRDEFDZPCARAZ-UHFFFAOYSA-N 284.359 3.963 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Oc2ccccn2)cc1 429437344 NOWTUKFWWRQMJO-UHFFFAOYSA-N 283.331 3.524 30 20 CHED CC(C)(O)CCSCc1ccc(Cl)cc1C#N 516979833 RBLWUGCOOSXFCX-UHFFFAOYSA-N 269.797 3.606 30 20 CHED COc1cccc([C@H](C)/N=C(/O)N[C@H]2CC[C@H](C)CC2)c1 330712353 VVCDFAVCNRUKNA-YDHLFZDLSA-N 290.407 3.839 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(O)cc1F)c1ccccc1 428037918 VPBFTPTXFLDQAM-AWEZNQCLSA-N 285.318 3.830 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 421136491 DKCJNAKCHJMSMG-UHFFFAOYSA-N 286.375 3.636 30 20 CHED COc1ccccc1/C=C\CN1CCC(CCC#N)CC1 517148087 BDFJCRBDDZZVEN-YVMONPNESA-N 284.403 3.724 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 425128847 LAWJSOKZIGSFQE-XJKCOSOUSA-N 270.376 3.514 30 20 CHED C=C(CNC(=O)N1C[C@H](C)CC1(C)C)c1ccccc1 512667504 PXGXHXWHZOXNCF-CYBMUJFWSA-N 272.392 3.530 30 20 CHED CC[C@@H](CC#N)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94543966 MYQGOYIBCRQVAF-UWUYSDQOSA-N 288.435 3.791 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425420529 MSGIYYFBRVYQJB-MELADBBJSA-N 287.407 3.695 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(Cl)c2)cc1O 97993033 DHUCXKSXHYJTLK-ALCCZGGFSA-N 288.730 3.950 30 20 CHED CSc1ccc(C)c(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 335161331 DXNBIHXJGXKMHE-NWDGAFQWSA-N 289.404 3.531 30 20 CHED C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCCC#N 338955120 BHIITTGSCSNGOA-NSHDSACASA-N 270.298 3.530 30 20 CHED CCC[C@@H]1CCCN(C(=O)c2cccc(C#N)c2C)C1 337969252 GLHQRZLKNQPYIB-CQSZACIVSA-N 270.376 3.519 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ncc(Cl)cc1C 425618406 FTZBSRYWLCGMEI-UHFFFAOYSA-N 252.745 3.584 30 20 CHED Cc1scc(/C(O)=N/CC2(C(=N)O)CCCC2)c1C 330640654 CVPPUHHNLPAKED-UHFFFAOYSA-N 280.393 3.765 30 20 CHED C#CCCCCN[C@H](C)c1sc(-c2cccnc2)nc1C 90398887 MTCPNYNQMIDYMW-CYBMUJFWSA-N 299.443 3.968 30 20 CHED Cc1ccccc1NC(=O)c1cc(C#N)ccc1Cl 334428974 YMILJCWHPQZIJG-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC(C)Cc1nc(/C(O)=N/[C@](C)(C#N)CC(C)C)cs1 330481699 PZMSTFOUIMBIRI-HNNXBMFYSA-N 293.436 3.975 30 20 CHED CCCCN(C(=O)c1cc(C#N)oc1C)[C@H](C)CC 435686583 WKRJBRCZSGKJFQ-LLVKDONJSA-N 262.353 3.501 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(Cl)c1F 435736587 YDYGMKIQZMECJY-WFASDCNBSA-N 283.774 3.550 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)CCCC2 332718281 NJPAMIMMMLASBA-SFHVURJKSA-N 284.403 3.624 30 20 CHED C=CCCC(=O)Nc1ccc(OC2CCCC2)cc1 523224677 PMVLZRLMQRNIEL-UHFFFAOYSA-N 259.349 3.913 30 20 CHED C[C@H]1C[C@H](CCNC(=O)c2cnccc2C#N)CC(C)(C)C1 345391577 PBAGOJYZSBMYEC-KBPBESRZSA-N 299.418 3.536 30 20 CHED N#Cc1ccc(-c2nc(Cc3cc4ccccc4o3)no2)o1 341075590 IMMKNXRAOGVEIQ-UHFFFAOYSA-N 291.266 3.538 30 20 CHED CCOc1ccc(CNc2cc(C#N)ccn2)cc1Cl 343160405 XBJLZAVZYJTUFE-UHFFFAOYSA-N 287.750 3.617 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cncc(CC)c1 344985320 ASIZVFUQNVJIRR-UHFFFAOYSA-N 298.361 3.612 30 20 CHED N#Cc1cccc(CCN[C@@H](c2cccnc2)C2CCC2)c1 343632838 ZRPXYZROBAQBSB-LJQANCHMSA-N 291.398 3.627 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1cc(F)ccc1F 436302854 ACDSAKWPGHJYHB-JLZZUVOBSA-N 295.373 3.987 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](c1cccnc1)C(C)C 435707909 YZZBSSGKPLEWRH-QGZVFWFLSA-N 293.370 3.640 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)cc1 255078447 FXWHJCYQVOVPGU-UITAMQMPSA-N 283.283 3.505 30 20 CHED C=CCOCCCN(C1CC1)[C@@H]1CCc2ccccc21 348065445 ZKMHMDGOTFAPEJ-GOSISDBHSA-N 271.404 3.731 30 20 CHED C=C(C)CCNCc1ccc(OC)cc1Br 386747788 FTHNFLCEHCSGBN-UHFFFAOYSA-N 284.197 3.514 30 20 CHED Cn1cc(C(=O)/C=C\c2cc3ccccc3s2)cn1 255046404 CPVVMACROAQFCU-SREVYHEPSA-N 268.341 3.531 30 20 CHED N#CCC[C@H](NC(=O)/C=C\c1cccs1)c1ccccc1 255756884 UZZXQQRKXDSZME-SNGWPZLWSA-N 296.395 3.923 30 20 CHED C[C@@H](CCC#N)CNCc1cc(Br)cs1 602516384 KDIQXYLTIZBQGQ-VIFPVBQESA-N 287.226 3.540 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccc(F)c(C2CC2)c1 352612158 NEWNCEHUDKGWDG-UHFFFAOYSA-N 290.382 3.540 30 20 CHED CC[C@@H](NCCCN1CCCC[C@@H]1C)c1ccc(C#N)cc1 447511215 SKPFORGXKYGIAD-QFBILLFUSA-N 299.462 3.863 30 20 CHED Cc1sccc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 603082912 OHJLDDBUSQRVJN-OAHLLOKOSA-N 297.383 3.737 30 20 CHED CCN(C(=O)Cc1ccc(C)o1)[C@@H](C)c1ccc(C#N)cc1 533121517 IMFVKMDJTQRAQB-AWEZNQCLSA-N 296.370 3.612 30 20 CHED C=CCCCCCN(C)C(=O)c1c[nH]nc1-c1ccccc1 352607117 PNHONLVSWOARRX-UHFFFAOYSA-N 297.402 3.895 30 20 CHED C=CCOc1ccc(CN2Cc3ccccc3C2)cc1OC 353382902 DKLZNYZFGYINEK-UHFFFAOYSA-N 295.382 3.776 30 20 CHED C[C@@H](C(=O)N(Cc1ccco1)c1ccccc1C#N)C1CC1 267080641 PTRSFMKSZRDQEC-CYBMUJFWSA-N 294.354 3.731 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C)c1ccncc1 608493545 RYPKHCPOFONCEE-CQSZACIVSA-N 270.351 3.970 30 20 CHED CCN(CCC#N)Cc1cnc(-c2ccccc2F)s1 449011678 SOQOHNIJVXOXMR-UHFFFAOYSA-N 289.379 3.685 30 20 CHED CCOc1ccc2c(c1)CCN(CCCC(C)(C)C#N)C2 441063230 GORHLJZCSQXXGL-UHFFFAOYSA-N 286.419 3.773 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CCCCCc1cccs1 264715855 FWAGKPRUPNTRAC-CQSZACIVSA-N 278.421 3.515 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc3c(cnn3C(F)F)c2)C1 619673773 NFIGGIVBXBURHN-MWLCHTKSSA-N 276.290 3.536 30 20 CHED C=C(CC)CSc1nnc(-c2ccc(F)cc2)o1 538010424 FGYXYVVKGKJCSE-UHFFFAOYSA-N 264.325 3.934 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2cc(OC)ccc2C1 531818000 SHXFJHNUNMKXPD-UHFFFAOYSA-N 299.414 3.738 30 20 CHED C=C(CC)CSCCOc1ccc(C#N)cc1OC 358637490 OIFOGTHCAUIRDN-UHFFFAOYSA-N 277.389 3.645 30 20 CHED CCCCc1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 610258410 ZLONDSGGCQBBKV-UHFFFAOYSA-N 296.330 3.948 30 20 CHED N#CCCN1CCC(c2ccccc2C(F)(F)F)CC1 353606335 XNJDPJZZXISCMJ-UHFFFAOYSA-N 282.309 3.798 30 20 CHED N#C[C@@H]1CC[C@H](NCCCc2ccc(Cl)cc2)C1 442859642 AOYBIOPKHCFPLN-HIFRSBDPSA-N 262.784 3.554 30 20 CHED C=C[C@@H](CO)N[C@@H](CCC)c1ccc(Cl)c(Cl)c1 353569205 KNCOFXKTWLJLPE-FZMZJTMJSA-N 288.218 3.971 30 20 CHED C=CCCC(=O)N1CCC(Cc2cccc(F)c2)CC1 263808585 MRJPFLSWWILSLC-UHFFFAOYSA-N 275.367 3.573 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(Cl)c1 618743118 XEPJHRWZDVGDEO-KRWDZBQOSA-N 282.774 3.989 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2cc(F)ccc2Cl)C1 612305323 ZFHOUTSMDQAQPF-AWEZNQCLSA-N 295.745 3.637 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1Cc1ccc(F)c(C#N)c1 610719849 YQSKJJHFOPKPER-GFCCVEGCSA-N 298.336 3.956 30 20 CHED Cc1ccc(Cl)c2ccc(NC(=O)[C@]3(C#N)C[C@H]3C)nc12 450421184 SHUBYQYQMGGEOM-HWPZZCPQSA-N 299.761 3.685 30 20 CHED CCCCN(C(=O)NC[C@H](C)C#N)[C@@H](C)c1ccc(C)o1 611632876 MXDMUEHWTVVDNF-OCCSQVGLSA-N 291.395 3.620 30 20 CHED Cc1nc2ccccc2c(N2CCC[C@](C)(C#N)C2)c1C 612108313 HSVHNUUXCYGCIG-GOSISDBHSA-N 279.387 3.982 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C(C)(C)c1ccccc1Cl 611251066 POYACGOSDZSPOA-LBPRGKRZSA-N 292.810 3.672 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccc(C#N)cc1 542545446 UYOPAUDGCVPJSB-QDEZUTFSSA-N 299.418 3.743 30 20 CHED C=C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1 361152262 IUNXMOSCQALFHA-UHFFFAOYSA-N 283.327 3.864 30 20 CHED CCCn1ncc(NCc2cccc(C#N)c2F)c1C1CC1 453148818 LANPMNCTPGGUPH-UHFFFAOYSA-N 298.365 3.793 30 20 CHED C=CCC1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCC1 456483448 HGXNRDPLEIKPLH-UHFFFAOYSA-N 294.376 3.523 30 20 CHED CN(CCCCC#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273420799 JUENPPKRUZJZNK-IRXDYDNUSA-N 290.382 3.671 30 20 CHED Cc1ccccc1-c1nnc(S[C@@H]2CC[C@H](C#N)C2)n1C 278526419 HOFAQWVVNUQXHX-QWHCGFSZSA-N 298.415 3.575 30 20 CHED CC#CCCNC(=O)Nc1ccc2c(ccn2CCC)c1 542673235 CFJSUZNZDYIIJE-UHFFFAOYSA-N 283.375 3.586 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc2occc2c1 626914030 CLUPBHWIMNZVIU-UHFFFAOYSA-N 258.321 3.767 30 20 CHED C#CC[C@@H](NCc1ccc(OC)c(C)c1)c1ccccc1 270135377 ABEUMPRRFWOMJL-GOSISDBHSA-N 279.383 3.858 30 20 CHED Cc1cccc([C@H](C)CNc2nccc(C)c2C#N)c1 543207276 NFHYKGNCZVJADD-CQSZACIVSA-N 265.360 3.786 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2NCCCCC#N)cc1 370643781 LCLGXOSQUKHUFG-DLBZAZTESA-N 256.393 3.915 30 20 CHED Cc1ccnc(N2CCC[C@@H]2CCc2ccccc2)c1C#N 543134767 WKJNFYPBEXJVCA-QGZVFWFLSA-N 291.398 3.863 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1SCCc2ccccc21 467970555 QIRQKGFRHNLDRX-DOTOQJQBSA-N 289.444 3.736 30 20 CHED C#CCCCc1nc(-c2ccccc2OC(F)(F)F)no1 288927010 IGTRNRPJXHGEGI-UHFFFAOYSA-N 296.248 3.591 30 20 CHED C=CCC[C@@H](CC)N[C@H](CO)c1cccc(Cl)c1F 467406508 PXUBQDAEMCGDPZ-BXUZGUMPSA-N 285.790 3.847 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H]1CCOC(C)(C)C1 634684844 ARVMAKOTRFCEDW-IRXDYDNUSA-N 273.420 3.721 30 20 CHED C[C@H](C(=O)N[C@H]1CCC[C@@H](C)CC1)c1cccc(C#N)c1 462342060 OEGRNPXLINGCOM-KEYYUXOJSA-N 284.403 3.747 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(OC)c(OC)c1C 286262973 VDDUXVJXXCCZRA-DGCLKSJQSA-N 263.381 3.627 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 462342057 OEGRNPXLINGCOM-CKEIUWERSA-N 284.403 3.747 30 20 CHED Cc1nc2c(C(=O)N(CCC#N)CCC(C)C)cccc2o1 280915847 NVTHPHPDYBFSMD-UHFFFAOYSA-N 299.374 3.538 30 20 CHED CC(C)[C@H](CN(CCC#N)CCC#N)c1ccccc1 280411570 WIIMWNUDAMTLET-KRWDZBQOSA-N 269.392 3.556 30 20 CHED CCOC1CC2(CCN([C@@H](C)c3cccc(C#N)c3)C2)C1 285401159 FBYUDUMSHUATLA-NNGSBXSVSA-N 284.403 3.510 30 20 CHED C=CCC[C@H](C)N[C@H](C)[C@@H](c1ccccc1)N(C)C 471600050 ZAZCZJDFILCRDH-UXLLHSPISA-N 260.425 3.622 30 20 CHED C=CCn1c(SCOCCC(C)(C)C)nnc1C1CC1 292666129 NUZPKGMJLCJBLS-UHFFFAOYSA-N 295.452 3.844 30 20 CHED Cc1ccccc1[C@@H](NCCO[C@@H](C)C#N)C(C)(C)C 801938559 GWKXRHQZFHGKBB-GOEBONIOSA-N 274.408 3.601 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc2oc3ccccc3c2c1 806103384 PMYDBKBDEYOUOP-NSHDSACASA-N 278.311 3.729 30 20 CHED Cc1ccc(COc2ccc(F)nc2C#N)c(Cl)c1 808048593 ZRGOUQDAGHRMQQ-UHFFFAOYSA-N 276.698 3.633 30 20 CHED C#CC[C@@H](Nc1nc(C(F)(F)F)ns1)c1ccccc1 804580128 WGEWJIBBCBPEMY-SNVBAGLBSA-N 297.305 3.733 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H]1CCO[C@@H]1c1ccccc1 477932959 QQVKOIPDNQSVIE-BURFUSLBSA-N 273.420 3.955 30 20 CHED C=CCCCCNC(=O)CSc1ccccc1Cl 471671037 VQGMSSSQIGTFCP-UHFFFAOYSA-N 283.824 3.905 30 20 CHED C=CCN(CC=C)C(=O)NC1CCC(C(C)C)CC1 479618699 MUQCMZCLDHWBBS-UHFFFAOYSA-N 264.413 3.585 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 803750901 OSQCLIUBGSSDNZ-FVQBIDKESA-N 278.392 3.671 30 20 CHED N#CCCCCNC(=O)c1ccc(C2CCCC2)cc1 290150153 CINODRODBNELMW-UHFFFAOYSA-N 270.376 3.768 30 20 CHED C#Cc1ccc(CNc2ccc(C)cc2OCCOC)cc1 809595095 DWLBRAVETVOYSV-UHFFFAOYSA-N 295.382 3.614 30 20 CHED C[C@H]1C[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC[C@H]1C 294337465 LCTKPUMLEOPRND-JKIFEVAISA-N 284.403 3.589 30 20 CHED Cc1ccc(C[S@@](=O)CCCC(C)(C)C#N)c(C)c1 563148211 NQWUDZJCYGOYTG-IBGZPJMESA-N 277.433 3.882 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(C(C)(F)F)cc1 293296598 YPLPFNAJZXBFPI-LLVKDONJSA-N 282.334 3.562 30 20 CHED C=CCCc1nc(-c2cccc(-c3cscn3)c2)no1 563489096 RQBLJCTZASQSNS-UHFFFAOYSA-N 283.356 3.979 30 20 CHED C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C1CC1 563298861 VZSYUTURHGDERA-UHFFFAOYSA-N 294.402 3.683 30 20 CHED C=C(C/N=C\c1cccc(OCC)c1O)c1ccccc1 806550655 NGGJGUQHGSEKFS-UYRXBGFRSA-N 281.355 3.923 30 20 CHED C=CCCCCCCNC(=O)NC12CCC(CC1)C2 807569681 JOJXOQDZKSLFPU-UHFFFAOYSA-N 264.413 3.755 30 20 CHED C#Cc1ccc(CNc2ccc(N(C)C)c(C)c2)cc1 809599213 SQSRLJCJCDZVHR-UHFFFAOYSA-N 264.372 3.654 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 807989307 GGCMRUNTESVTBP-UHFFFAOYSA-N 291.351 3.508 30 20 CHED CCC[C@H](CC)SCC(=O)N(C)C1(C#N)CCCCC1 477075079 GNRYSTXUAGYZHW-AWEZNQCLSA-N 296.480 3.983 30 20 CHED C=CCCCCNC(=O)CSCc1ccc(C)cc1 471678659 LXDGZVMQJVYVPR-UHFFFAOYSA-N 277.433 3.701 30 20 CHED C[C@H](C#N)OCCN[C@@H](CC(C)(C)C)c1ccc(F)cc1 801937479 NWDWIJNFYIPEEV-CJNGLKHVSA-N 292.398 3.821 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)c(C)cc1Cl 295970346 IYCPKWXQIQSXTJ-AWEZNQCLSA-N 264.756 3.835 30 20 CHED C#CCOc1ccc(NC(=O)N(C)[C@@H](C)CCCC)cc1 810184342 OXUNFVAUGQORSA-AWEZNQCLSA-N 288.391 3.741 30 20 CHED COc1ccc(C)cc1/C=C1\Cc2c(O)cccc2C1=O 810250069 DPADTMKCUCOHJQ-UKTHLTGXSA-N 280.323 3.532 30 20 CHED C=C[C@@](C)(CC)c1nc(CCCSCC)no1 568799447 PZJDTSAXBBGXJK-ZDUSSCGKSA-N 254.399 3.609 30 20 CHED C=CCN(CC=C)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 484217749 FPSAUCOOOLRYEF-KBPBESRZSA-N 264.413 3.585 30 20 CHED CC(C)C1(C)CCN(c2c(C#N)nnc3ccccc23)CC1 489911741 DEFJZDARCPEURF-UHFFFAOYSA-N 294.402 3.764 30 20 CHED C#CCC1(C(=O)N2CC(CC)(CC)C2)CCCCC1 818119733 LEOWWNGMYLCFRQ-UHFFFAOYSA-N 261.409 3.609 30 20 CHED N#Cc1c(F)cccc1/C=C1\Oc2ccc(Cl)cc2C1=O 811689840 NDUVXYUXHYOQBV-UUASQNMZSA-N 299.688 3.967 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C1CCCCC1 561520863 VVWDTEKHPVKLHQ-ZENOOKHLSA-N 264.413 3.647 30 20 CHED CC[C@@H](C=NNc1ncccc1C)c1ccccc1 814911857 VFBAMQQXWURHKZ-AWEZNQCLSA-N 253.349 3.982 30 20 CHED C(=NOCc1cccnc1)c1ccc(C2CCC2)cc1 814884398 WKQHSKHJOOSBPC-UHFFFAOYSA-N 266.344 3.900 30 20 CHED C=CCNC(=S)N(c1ccc(CC)cc1)C(C)C 811703805 GTAYVZZJRIRWBW-UHFFFAOYSA-N 262.422 3.524 30 20 CHED CCCCC/C(C=NNC[C@@H](C)O)=C/c1ccccc1 814964622 AGIAQXFAHXRBKA-MRGQTLBHSA-N 274.408 3.607 30 20 CHED C[C@@](C#N)(NC(=O)c1csc(Cl)c1)C1CCCCC1 573859463 DUDCMPHKDZEVGK-AWEZNQCLSA-N 296.823 3.994 30 20 CHED C=C(C)COCCN[C@H](C)c1cc2ccncc2s1 657925582 DJRBTZFMZVDZHW-GFCCVEGCSA-N 276.405 3.540 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@H]1CCC(C)C 815830679 JYGRRSAPLDPMRZ-GFCCVEGCSA-N 259.340 3.625 30 20 CHED C=C(C)CN1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 483466843 BNPXZLJZFUBEBG-RTBURBONSA-N 284.447 3.549 30 20 CHED Cc1cc(CN(C)Cc2cccc(N(C)C)c2)ccc1C#N 488164063 QKKMLCCLKOKATJ-UHFFFAOYSA-N 293.414 3.565 30 20 CHED C[C@H](NN=C1CCc2ccc(Cl)cc21)c1ccncc1 819816308 IOQDFLRABVWPBQ-NSHDSACASA-N 285.778 3.736 30 20 CHED CCCC(=NNc1cccc([N+](=O)[O-])c1)c1cccnc1 814694739 WTTKQKUVFQUJKN-UHFFFAOYSA-N 284.319 3.606 30 20 CHED CC(C)Oc1ccc(COC(=O)CCCC#N)cc1Cl 812614833 SPUWHAFTWZEUCJ-UHFFFAOYSA-N 295.766 3.864 30 20 CHED C=C(Br)COc1cccc(Cl)c1[N+](=O)[O-] 814774455 OKCXDUIAUDDXGI-UHFFFAOYSA-N 292.516 3.536 30 20 CHED C=CCCCCCNc1cc(S(C)(=O)=O)ccc1C 575206965 YYLMUEVNZBBQKI-UHFFFAOYSA-N 281.421 3.557 30 20 CHED C#Cc1ccccc1CC(=O)N1CCC[C@H]1CCC(C)C 810604944 CLXDPLLCKDWTCQ-SFHVURJKSA-N 283.415 3.638 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CCCC)C1CCC1 815782847 AKIXPOMJIGRMAG-LBPRGKRZSA-N 259.340 3.673 30 20 CHED N#Cc1ncc(OCCCc2cccc3ccccc23)cn1 488802691 XFQSCCDKYAPRMS-UHFFFAOYSA-N 289.338 3.513 30 20 CHED CCC(CC)CN(C/C=C\c1ccncc1)CCC#N 494926751 ZEXBUDOEKXYQFU-ALCCZGGFSA-N 271.408 3.747 30 20 CHED CC(C)(C)c1cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c1 578140172 AZDSBZNHAPLQDW-AWEZNQCLSA-N 272.392 3.652 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1cccc(NC(=O)OCC)c1 496105092 OQBOQOURILZIHV-UHFFFAOYSA-N 291.347 3.763 30 20 CHED C=C[C@@H](C)NC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 660880882 DJEFVFAWYIQASB-SECBINFHSA-N 299.201 3.636 30 20 CHED CC[C@H](Cc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1O 727781586 QVXJQQKMSVXFJA-GYZOOYGHSA-N 298.342 3.741 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2ccc(Cl)nc2s1 823720180 ZYLZNCRCSKGCLE-CYBMUJFWSA-N 295.795 3.886 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCCCC#N 588147201 DDQCUMNZXALTOL-UHFFFAOYSA-N 289.335 3.624 30 20 CHED C=CCC1(NC[C@@H](C)c2cc(F)cc(F)c2)CCOCC1 668551378 LPACCTUPSAGHHZ-CYBMUJFWSA-N 295.373 3.783 30 20 CHED N#CCCN(CC1CC1)C(=S)Nc1cccc(Cl)c1 728791302 CAAPJVLHRCBIMD-UHFFFAOYSA-N 293.823 3.662 30 20 CHED C[C@H](OC(=O)C=C(C1CC1)C1CC1)c1cccc(C#N)c1 727636259 SKUVKVTUNBHKNL-LBPRGKRZSA-N 281.355 3.909 30 20 CHED C[C@@H](C[C@H](O)c1cccs1)NC1CCC(C)(C#N)CC1 824066908 YBBAZGMAJVEPTQ-REWIBIJMSA-N 292.448 3.622 30 20 CHED Cc1ccc(NN=Cc2ccc(C(C)(C)C)cc2)nn1 729936084 GBESSMHOPLRWRL-UHFFFAOYSA-N 268.364 3.529 30 20 CHED Cc1noc(C)c1/C=C1/COc2ccc(Cl)cc2C1=O 588425414 AIRHLZGOJNRFRA-YHYXMXQVSA-N 289.718 3.604 30 20 CHED C=C(C)CN(C)Cc1ccc(OC(F)F)c(Cl)c1 497132930 SPLVQXMWVCABCD-UHFFFAOYSA-N 275.726 3.949 30 20 CHED CCCCCCCCCN(C)C(=O)c1coc(CN)c1 827534146 REYFMTVVQMJSMK-UHFFFAOYSA-N 280.412 3.561 30 20 CHED CCOc1ccc(CN(C)c2cccc(F)c2C#N)cc1 499656668 LQVNCLJYZAWYQA-UHFFFAOYSA-N 284.334 3.732 30 20 CHED Cc1ccc(F)c(/C=C/C(=O)c2ccc(O)cc2)c1 734979499 QRIYRWGQRYNKKK-WEVVVXLNSA-N 256.276 3.736 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1c1c(C)cccc1C 660881762 OLHPHNCDBNKRDB-LSDHHAIUSA-N 272.392 3.724 30 20 CHED CCOc1cccc(/C=N/CC2(C)CCCC2)c1O 731155554 KKZYEPPVNLUHAZ-GZTJUZNOSA-N 261.365 3.790 30 20 CHED COc1ccc2oc([C@@H](C)NCC(C)(C)C#N)c(C)c2c1 903100749 WWPFAKFWRUXYGH-GFCCVEGCSA-N 286.375 3.950 30 20 CHED C#CCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 730980623 WENRKODAAQCVHJ-UHFFFAOYSA-N 297.379 3.501 30 20 CHED C=CCCCCCN(C)C(=O)C(F)(F)c1ccccc1 739654848 RKYCIJOWKKEIGD-UHFFFAOYSA-N 281.346 3.983 30 20 CHED C=CCN(CCc1ccccc1)c1cc(C(C)C)ncn1 495453988 HBFATMWYDHSDQP-UHFFFAOYSA-N 281.403 3.835 30 20 CHED C#C[C@H](C)N(C)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl 491668197 JOXKQWFGRAVLGL-QMMMGPOBSA-N 295.169 3.568 30 20 CHED CC(=NOC1CCOCC1)c1csc2ccccc12 901224669 WBQNEHZLLIVMPB-UHFFFAOYSA-N 275.373 3.821 30 20 CHED N#CC1(CN[C@@H]2CCc3cc(Cl)ccc32)CCC1 903032839 ZVWHMWIVDRDNOM-CQSZACIVSA-N 260.768 3.611 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c(C)noc1CC 901194145 FWQMUJIOSMQGIM-GFCCVEGCSA-N 265.401 3.828 30 20 CHED N#CC1(CN[C@H]2CCCc3ccc(Cl)cc32)CC1 903106052 LUAOZVXJYRQCLO-AWEZNQCLSA-N 260.768 3.611 30 20 CHED C#C[C@@H](C)N(C)C(=S)Nc1ccc(Cl)cc1Cl 491555276 PZZHPGSFORTUNB-MRVPVSSYSA-N 287.215 3.644 30 20 CHED CC(=NNc1ccc(C)cc1Cl)C1CCN(C)CC1 835011591 LRJQARWFAVIGAI-UHFFFAOYSA-N 279.815 3.778 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2cccc(Cl)c2)C1 839049667 JWHUFPQVEZMOIF-GXTWGEPZSA-N 277.751 3.508 30 20 CHED CC#CCCNC(=O)Nc1ccccc1N(C)C1CCCC1 497687667 PKCQNEQPOKZIRL-UHFFFAOYSA-N 299.418 3.600 30 20 CHED C=CCCCCC(C)=NNc1nc(-c2ccncc2)no1 834952002 IRQDFQOLSASINQ-UHFFFAOYSA-N 285.351 3.666 30 20 CHED C=CC[C@H](NC(=O)C[C@@H](CC)C(C)C)c1ccncc1 734457474 JZZDRHWPJUBCPW-ZBFHGGJFSA-N 274.408 3.887 30 20 CHED FC(F)C(F)(F)COc1ccccc1C(F)(F)F 736436409 YISPOVQWRPVVNO-UHFFFAOYSA-N 276.151 3.985 30 20 CHED C=CCSCCN[C@@H](Cc1ccccc1C)C1CC1 585764807 LOBWDIQZTNUUJL-KRWDZBQOSA-N 275.461 3.825 30 20 CHED C=CC[C@H](C)NC(=S)Nc1cccc(Br)c1 734985874 HQGKPLXSOVPHRW-VIFPVBQESA-N 299.237 3.700 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)O 901872495 QWTHPKOHTRUIGL-JKQORVJESA-N 289.419 3.509 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccc(F)c(F)c1 730147443 FWUUPDWBKUPBBM-UHFFFAOYSA-N 297.308 3.771 30 20 CHED Cc1cc(Cl)c(C(=O)OCCCC(C)(C)C#N)cc1N 837771566 GVFHRTCAWZMTOB-UHFFFAOYSA-N 294.782 3.717 30 20 CHED CC#CCN(C)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 583586446 UEJSGQUSNQURMZ-JTQLQIEISA-N 284.186 3.579 30 20 CHED CCC#C[C@H](C)N(C)Cc1ccc(OC(F)F)cc1 677047340 WLOWYDRXMUUJNO-LBPRGKRZSA-N 267.319 3.522 30 20 CHED C=CCC(CC=C)C(=O)OC[C@@]1(C)CC1(Cl)Cl 837578085 HLZAVBVDXJCJGB-GFCCVEGCSA-N 277.191 3.882 30 20 CHED CCC(=O)c1cccc(N[C@@H](C#N)Cc2ccccc2)c1 676347870 IFGKDYRVAXDUNV-QGZVFWFLSA-N 278.355 3.826 30 20 CHED CC[C@@H](CSc1ccccc1)NC(=O)C#CC(C)(C)C 837491605 FOUZDUIRZNVLCF-AWEZNQCLSA-N 289.444 3.723 30 20 CHED C[C@H](C#N)COC(=O)C(C)(C)Cc1ccc(Cl)cc1 838818226 GJTQRJOQURSIGN-LLVKDONJSA-N 279.767 3.612 30 20 CHED C=CCN(C(=O)NCCCc1ccc(C)cc1C)C1CC1 678541196 SQPAAKJCZMPQTA-UHFFFAOYSA-N 286.419 3.596 30 20 CHED N#Cc1cccc(NC(=O)N2CCC3(CCCCC3)CC2)n1 592269785 KJNCRUSXBZMGRZ-UHFFFAOYSA-N 298.390 3.531 30 20 CHED Cc1ccc2c(CC(=O)OCC3(CC#N)CC3)coc2c1C 744279702 ZXOZMUCRQQEQDK-UHFFFAOYSA-N 297.354 3.829 30 20 CHED COc1ccc(F)cc1NCCCC(C)(C)C#N 155433627 IMUMUUJGWDWUHS-UHFFFAOYSA-N 250.317 3.576 30 20 CHED CCN(CC)C(=O)c1ccc(NC[C@H](C)CCC#N)cc1 590596398 YKYRKJJOQZIURW-CQSZACIVSA-N 287.407 3.520 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C\c1ccc(C#N)s1)C2=O 749004267 CKYJIHGBJSWFQR-MDWZMJQESA-N 290.347 3.704 30 20 CHED CC(C)Cc1ncc(C(=O)OCCCC(C)(C)C#N)s1 910031661 SNSHODRNNRLRLD-UHFFFAOYSA-N 294.420 3.828 30 20 CHED CC(C)(NC(=O)CCCCCC#N)c1ccccc1F 590456606 ZAMZGBSJZNLGOZ-UHFFFAOYSA-N 276.355 3.651 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C(C)C 745874842 FVRKXZFTAKTSLY-SOUVJXGZSA-N 264.413 3.561 30 20 CHED COC(=O)Cc1ccc(NN=C(C)C2CCCCC2)cc1 844606953 JTQOBJFRRWAPGN-UHFFFAOYSA-N 288.391 3.770 30 20 CHED CCc1ccc(C=NOCc2cncc(C)c2)cc1 842017628 CWCJGGNFPCQQLM-UHFFFAOYSA-N 254.333 3.503 30 20 CHED CC1(C)C[C@@H](C/N=C/c2cc3ccccc3nc2O)CCO1 840709567 JYOSCYZZVKYZSJ-HCZVKUGISA-N 298.386 3.565 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2[C@H]3CC[C@H]2CC(C)C3)c1 596928123 NKBRUVDVQFBJSV-HOTGVXAUSA-N 283.375 3.662 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1c(F)cc(C)cc1F 598834010 IRAFRNWUGICFAD-UHFFFAOYSA-N 294.345 3.818 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C(C)=C\c1ccco1 846970603 HZGJNFNRJBPHAX-SEYXRHQNSA-N 274.364 3.614 30 20 CHED CC(C)c1nn(C)cc1-c1ccc(C#N)c(Cl)c1 675068500 BAQUUWFIYDPWCA-UHFFFAOYSA-N 259.740 3.736 30 20 CHED Fc1cc2nc(NN=C[C@@H]3CC=CCC3)[nH]c2cc1F 912817849 YMLZXPLRODJIIH-SECBINFHSA-N 276.290 3.595 30 20 CHED COc1ccc(C)cc1/C=C1/COc2ccccc2C1=O 747006269 FXVUMXAGDDDDTD-UVTDQMKNSA-N 280.323 3.662 30 20 CHED C[C@H](NN=Cc1ccc2ccccc2n1)c1ccccc1 741461989 VVCHAHYDHYFEOH-AWEZNQCLSA-N 275.355 3.920 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC)c(F)c1)C(C)C 918048154 UVOLDSFYMUNAFE-UHFFFAOYSA-N 280.343 3.653 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C(C)=C\c1cccc(Cl)c1 847170580 ZYNUSYNSEOWJML-KOTGUFOOSA-N 276.767 3.504 30 20 CHED CCSC1(CNc2ncc(Cl)c(C)c2C#N)CC1 596510767 HQGDPJBKOAACAK-UHFFFAOYSA-N 281.812 3.613 30 20 CHED c1ccc([C@@H]2CCCC2=NOCc2cccnc2)cc1 746587649 DJWRQLFUDQKEPQ-INIZCTEOSA-N 266.344 3.922 30 20 CHED C=C(C)CNc1nnc([C@@H](CC)c2ccccc2)o1 849161310 ICJXBIXHGRKNTK-ZDUSSCGKSA-N 257.337 3.600 30 20 CHED N#CCC[C@H](NC(=O)NCCCC1CCC1)c1ccccc1 595569458 YRDKFDQJJALYIT-KRWDZBQOSA-N 299.418 3.911 30 20 CHED CCC(=NNc1cc(CO)ccc1Br)C1CC1 841655393 UYBVKTQJCUWFQK-UHFFFAOYSA-N 297.196 3.529 30 20 CHED C=CC[C@@H]1CCCN(C(=S)Nc2ccc(Cl)nc2)C1 849279806 HUWRZJDGZWERHE-LLVKDONJSA-N 295.839 3.720 30 20 CHED CC(C)O[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 593053920 OIXFSZSBHQGRMJ-PBHICJAKSA-N 272.392 3.509 30 20 CHED CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)o1 915974898 ADCPAQSUVMGNAW-UHFFFAOYSA-N 293.710 3.986 30 20 CHED CC(=NNc1oc(C)nc1C#N)c1cc(C)c(C)cc1C 917555639 TZFLRKHOAMZJMZ-UHFFFAOYSA-N 282.347 3.616 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=Cc1c(F)cccc1F 747062519 ZLHPDXDBNKDWOU-UHFFFAOYSA-N 291.257 3.627 30 20 CHED CC[C@H](Cc1ccc(F)cc1)NCc1ccc(C#N)s1 594954081 XNEQDNMISHTRAQ-CQSZACIVSA-N 288.391 3.870 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1cc(C)c(C)o1 844622592 GUDBJXGYQVJFTO-UHFFFAOYSA-N 286.331 3.739 30 20 CHED CC#CCCCc1nc(-c2cccc3ncccc23)no1 685384229 SKQFGAAQGGQBJT-UHFFFAOYSA-N 277.327 3.631 30 20 CHED CCC(C)(C)CC(=O)Oc1c(Cl)cc(C#N)cc1OC 745977577 SWFUAGOGKDSBTK-UHFFFAOYSA-N 295.766 3.952 30 20 CHED CCC/C=C\C(=O)N[C@H](CCC#N)c1ccccc1 749045210 JSPNGZOSUHDOQM-HYMFSAHRSA-N 256.349 3.504 30 20 CHED CCCC[C@@](C)(F)C(=O)O[C@H](C#N)C1CCCCC1 849846163 JERAFNIEHQZMFH-UKRRQHHQSA-N 269.360 3.920 30 20 CHED COc1cccc(/C=N/[C@H](C)CCCc2cccnc2)c1O 840712385 YCYZQKWLQJCQAH-GNUZOCDUSA-N 298.386 3.626 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 594043783 OPJHNADAZCGQPQ-KGLIPLIRSA-N 286.419 3.678 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H](CO)[C@H]1C 840246410 ZVVVQAATIJRYPZ-HZPDHXFCSA-N 298.471 3.539 30 20 CHED C=CCCSCCNC(=S)N[C@@H](C)c1ccccc1 849278329 MVWMYPPSSJROIQ-ZDUSSCGKSA-N 294.489 3.521 30 20 CHED Cc1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1C#N 592986314 LYLNHEFCDGMWGR-OAHLLOKOSA-N 293.366 3.949 30 20 CHED C=CCn1cc(CN[C@H](C)c2csc3ccccc23)nn1 926615413 PTJRXELOMYFUAC-GFCCVEGCSA-N 298.415 3.530 30 20 CHED COc1cc(C)cc2c1OC/C(=C/c1cccc(C)c1)C2=O 920388631 AOAPGWAYVWKBSF-GDNBJRDFSA-N 294.350 3.971 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1OC1CCC1 684939998 ZQBNQMLOGHYBDD-ZDUSSCGKSA-N 273.376 3.702 30 20 CHED CC(C)c1ccc(CCC(=O)Nc2ncc(C#N)s2)cc1 759133255 LWSCGCTWELBLBQ-UHFFFAOYSA-N 299.399 3.709 30 20 CHED C=CC(C)(C)CCOC(=O)c1cc2c(s1)CCOC2 851299470 NCPJHGZCFWEEHR-UHFFFAOYSA-N 280.389 3.580 30 20 CHED CCn1nc(C)c(C=NNc2cc(F)cc(Cl)c2)c1C 853396285 DIXJSBDOWTZKBJ-UHFFFAOYSA-N 294.761 3.758 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cc(-c2ccccc2)no1 926568441 LQWRQSRHVVMJPA-ZDUSSCGKSA-N 283.375 3.932 30 20 CHED C[C@@H](C#N)COC(=O)c1cccc(SC(F)(F)F)c1 850901962 XYFUFHGPQQVNGB-QMMMGPOBSA-N 289.278 3.615 30 20 CHED Cc1cccc(C)c1C=NNc1oc(C(C)(C)C)nc1C#N 755673683 BLYCTLGQMRNUTJ-UHFFFAOYSA-N 296.374 3.907 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc(C(=O)O)s1 750903771 RCBSRVSXELWEQU-HWKANZROSA-N 290.315 3.790 30 20 CHED COc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)c(Cl)c1 851210091 NQFOWLZHFXMWLM-JTQLQIEISA-N 295.766 3.834 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc2ncccc2o1 923869701 UJXMKAVSMGNELL-UHFFFAOYSA-N 286.331 3.705 30 20 CHED COc1ccc(Cl)cc1C(=O)O[C@H](C)CC(C)(C)C#N 851212144 HGEAULIQVNGZOI-SNVBAGLBSA-N 295.766 3.834 30 20 CHED CC(CC1CCOCC1)=NNc1cccc(Cl)c1 757560958 LKHXPEAPSNBEEA-UHFFFAOYSA-N 266.772 3.945 30 20 CHED C#CC[C@H](NC(=O)NCc1ccc(C)s1)c1ccccc1 757009554 VODLKNXBIJMCRX-INIZCTEOSA-N 298.411 3.620 30 20 CHED Cc1nocc1CON=Cc1ccc(C(C)(C)C)cc1 853637065 NENBLNVKTOEZMN-UHFFFAOYSA-N 272.348 3.831 30 20 CHED CC[C@@H]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)C1 755727231 XRJJQZVGHTZHGK-SNVBAGLBSA-N 293.823 3.640 30 20 CHED CCCCCCCNC(=O)NCc1ncc(C(C)(C)C)o1 858111235 YDOACQVMEIDRSA-UHFFFAOYSA-N 295.427 3.742 30 20 CHED C[C@@H](c1ccncc1)N(C)CCCCC1(C#N)CCC1 930119736 RGPJKMCUOODBCC-HNNXBMFYSA-N 271.408 3.939 30 20 CHED CON=C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 857206820 IJGOTHQBXVWZSK-KRWDZBQOSA-N 274.408 3.557 30 20 CHED C=CC[C@H]1CCCCC1=NNc1cc(Cl)nc(C)n1 853310045 AUPGGJSREZAXCM-NSHDSACASA-N 278.787 3.973 30 20 CHED Fc1ccc(C(F)(F)F)cc1NN=Cc1ccco1 753946091 FIVBCLBYKGNGEA-UHFFFAOYSA-N 272.201 3.884 30 20 CHED CC(C)c1ccc([C@H]2CCCCN2C[C@H](O)CC#N)cc1 930136380 FWCRXXJNKMSMQV-QZTJIDSGSA-N 286.419 3.612 30 20 CHED C=C[C@H](CC)CC(=O)NCc1cn(CCCCC)nc1C 935185632 PQZUWKLHRVCYRU-OAHLLOKOSA-N 291.439 3.600 30 20 CHED C#CCN(C(=O)N[C@H](CCC=C)c1ccccc1)C1CC1 764738778 NFKHGANTXLFDJS-QGZVFWFLSA-N 282.387 3.501 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N[C@H]1CCO[C@@H](C)C1 769707072 VCCYVBIQPYWTQM-JYJNAYRXSA-N 298.471 3.850 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H](C)c1sc(C)nc1C 932197098 OFYZFWGPPYQTAB-DGCLKSJQSA-N 280.437 3.882 30 20 CHED CCOc1ccc(/C=N/CCC[C@@H]2CCCCO2)c(O)c1 761016180 VGKDBJLDSUYLNP-VUODPORTSA-N 291.391 3.559 30 20 CHED C#CCCOC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 766619723 WCABHSNFVQDYDS-HZPDHXFCSA-N 280.408 3.709 30 20 CHED C=CCCCOC(=O)[C@H](CC)c1ccc(F)cc1 764649225 WTFLKLQZMWWCNS-CQSZACIVSA-N 250.313 3.829 30 20 CHED Cc1ccc(F)c([C@H](C)OC(=O)Cc2ccc(C#N)cc2)c1 764340542 RZTPESFUZGPEGR-ZDUSSCGKSA-N 297.329 3.853 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc(O)c(C)c1 769828950 YXIYXBFCIUWMLR-UHFFFAOYSA-N 272.323 3.984 30 20 CHED C[C@H](C(=O)OCCCOc1cccc(C#N)c1)C(C)(C)C 763970977 SGGMHEXGDQDKCM-CYBMUJFWSA-N 289.375 3.553 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1cccc(C#N)c1C 1355857191 HDTPVNZZEMKUCC-AWEZNQCLSA-N 292.382 3.992 30 20 CHED C#CCCCCCc1nc(-c2ccc3[nH]ccc3c2)no1 761575821 FYQFWRLBGKGITC-UHFFFAOYSA-N 279.343 3.954 30 20 CHED C#CCCOc1ccc(CNC2CCC(F)(F)CC2)cc1 761337312 SAXODPKGXVBFNW-UHFFFAOYSA-N 293.357 3.756 30 20 CHED C[C@@H]1C[C@H](C(=O)O)CCC1=NNc1ccccc1Cl 1117739904 TWSKOIXPHWQZCU-NXEZZACHSA-N 280.755 3.629 30 20 CHED CC(C)n1ccn(CN2CCCC(C)(C)[C@H]2C#N)c1=S 766114693 YEKKYDKGIFBWER-CYBMUJFWSA-N 292.452 3.572 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C=C)cc2)c1 760260925 HCKYVJLSWNKXFW-UHFFFAOYSA-N 275.351 3.978 30 20 CHED C[C@H](C#N)CNN=C1CCC(C)(c2ccccc2)CC1 766714019 ULQGHUOWPMELCS-XPCCGILXSA-N 269.392 3.624 30 20 CHED Cc1cc(CNc2ccccc2O[C@@H](C)C#N)c(C)o1 779988212 BDBXRVPUZIKGOC-LBPRGKRZSA-N 270.332 3.799 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1cccc([N+](=O)[O-])c1 777912108 RPBOWGRDFJLTEX-VURMDHGXSA-N 285.274 3.938 30 20 CHED CC[C@H](CNc1cccc(CC#N)n1)Oc1ccccc1F 1116662407 WRLUUYRAGXQFKM-CQSZACIVSA-N 299.349 3.556 30 20 CHED Oc1c(Cl)cccc1C=NOC1CCCCC1 777457593 XRHGZMWTMABEDX-UHFFFAOYSA-N 253.729 3.729 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1ccc(C#N)c(Cl)c1 779727598 OHRGHWIEXXETMS-MDZDMXLPSA-N 262.740 3.897 30 20 CHED CCc1cccnc1C(C)=NNc1cc([N+](=O)[O-])ccc1C 779772926 WPEZBVBUPRIBJI-UHFFFAOYSA-N 298.346 3.697 30 20 CHED CC(=NOCC(C)C)[C@@H]1CCN(Cc2ccccc2)C1 779781612 FBPSXLACDPPSOT-QGZVFWFLSA-N 274.408 3.557 30 20 CHED CCCCCCCCN[C@H](CC)c1nccn1C 775399316 BLOFFJIPTCMZFL-CQSZACIVSA-N 251.418 3.821 30 20 CHED COc1cc(/C=C2/Cc3ccccc3C2=O)ccc1C 773126918 WVKIBBUJTXWHSV-DHDCSXOGSA-N 264.324 3.826 30 20 CHED CC(C)C[C@@H](C(=O)OCC1(C#N)CC1)c1ccccc1 775858128 IWFXGGAHVZJAQK-OAHLLOKOSA-N 271.360 3.663 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(OC(F)F)cc2F)C1 877622465 NWZXKOIILDSKGS-LLVKDONJSA-N 298.308 3.553 30 20 CHED N#C[C@@H](OC(=O)/C=C\c1ccccc1F)C1CCCCC1 776363691 GFBWZCXGRPCJKK-BLIJAFNYSA-N 287.334 3.855 30 20 CHED C1CC[C@H]2CC(=NOC3CCOCC3)CC[C@@H]2C1 774458593 NDJANJDKZYBWFL-STQMWFEESA-N 251.370 3.528 30 20 CHED Cc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)sc1C 776375587 IIGNJMGVFDMYMO-ZDUSSCGKSA-N 277.389 3.994 30 20 CHED CC(C)OCCNN=C1CC(C)(C)CC(C)(C)C1 779783157 HNCNYVMINTVHHP-UHFFFAOYSA-N 254.418 3.593 30 20 CHED CN(C)Cc1ccc(NCC(C)(C)CCC#N)cc1F 770601376 NFQQBSZAMGOTLC-UHFFFAOYSA-N 277.387 3.629 30 20 CHED CC[C@@](C)(NCCOc1cccc(C#N)c1)c1ccccc1 775393156 FPUNNJKSCDEMPX-LJQANCHMSA-N 294.398 3.852 30 20 CHED N#Cc1cc(C(=O)NC2CCCCCCC2)ccc1F 788123316 GCQAFACTIDHPPA-UHFFFAOYSA-N 274.339 3.540 30 20 CHED CCCC[C@@H]1CCCC1=NNCCC(=O)OC(C)(C)C 783868626 IWOFIFJBYHKQLG-CYBMUJFWSA-N 282.428 3.654 30 20 CHED C=C/C=C/CCNCc1cccc(OCCCC#N)c1 883261026 NTNKPTUQRKSJGV-ONEGZZNKSA-N 270.376 3.591 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccc(Cl)cc2)c1 1129598016 WDPXUGQLAOWDNZ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CC(C)(C)CCNN=Cc1c[nH]nc1-c1ccccc1F 782902595 FDJNXKGHDFIWQX-UHFFFAOYSA-N 288.370 3.576 30 20 CHED COc1ccc(NN=Cc2csc3ccccc23)nc1 780268204 GFNFYNZKCVDAKL-UHFFFAOYSA-N 283.356 3.751 30 20 CHED Cc1nc2cc(NC(=O)c3ccc(C#N)cc3)ccc2s1 781203441 NSZOEMHQQGHOIC-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 1122732107 RONAXGCIMKCTPS-DTZQCDIJSA-N 275.392 3.828 30 20 CHED Cc1cncc(CON=C(c2ccccc2)C(F)(F)F)c1 785690534 CPUADWJDKMTJEP-UHFFFAOYSA-N 294.276 3.873 30 20 CHED CC[C@H](Nc1ncccc1C#N)c1cc(F)ccc1OC 895878750 INAYFDAYPOOUOY-AWEZNQCLSA-N 285.322 3.664 30 20 CHED CCCCCC[C@H](C)NC(=O)N1CCC(CC#N)CC1 781782966 WSSRLVCLPFQMSZ-AWEZNQCLSA-N 279.428 3.681 30 20 CHED Cc1nsc(N(C)C(=O)[C@@H](C)CC2CCCC2)c1C#N 891431936 FYMWANBINSRIFI-JTQLQIEISA-N 291.420 3.502 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cc2ccccc2nc1O 785758003 REGGPNRHDJWDJJ-KRWDZBQOSA-N 285.343 3.586 30 20 CHED CC(C)[C@H]1CCCCC1=NN[C@@H](CO)c1ccccc1 788460077 JDZMDEVPWPGEKA-WBVHZDCISA-N 274.408 3.512 30 20 CHED C=C1CCN(C(=O)N[C@H](C)c2ccc(SC)cc2)CC1 894590506 CXPOUKHXZANUPV-CYBMUJFWSA-N 290.432 3.831 30 20 CHED C#CCC1(C(=O)NC[C@H](C)Oc2ccccc2)CCCCC1 788218286 OSMUZEMCFIJIDW-INIZCTEOSA-N 299.414 3.544 30 20 CHED N#CCC1CCN(C(=O)CCCCc2ccccc2)CC1 897355838 FXOPUNOYSUSURY-UHFFFAOYSA-N 284.403 3.552 30 20 CHED COc1cc(C)c(NC(=O)c2ccc(C)c(C#N)c2)cc1F 799368242 RZLKXEWGRVRQEK-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C#CCCCCNCc1c(F)cccc1OC(F)(F)F 790552954 FZIDEXOKYNKKHT-UHFFFAOYSA-N 289.272 3.617 30 20 CHED COc1cccc(/C=C2/CCCC(C)(C)C2=O)c1F 799891197 ASTJYCXFAWLXSX-BENRWUELSA-N 262.324 3.997 30 20 CHED CCCCCC[C@H]1CCCC1=NNc1nccn1C 790300328 UENFPALJPQSMEA-ZDUSSCGKSA-N 262.401 3.959 30 20 CHED CCCCOc1cc(C=NOCCSC)ccc1OC 794573650 GMQRESQHRSVJMQ-UHFFFAOYSA-N 297.420 3.588 30 20 CHED C=CCC(C)(C)C(=O)OCCCc1cccc(OC)c1 796461288 DNBYKHLPQOIEQB-UHFFFAOYSA-N 276.376 3.773 30 20 CHED CCNc1ccc(Cl)cc1C(=O)[C@H](C#N)c1ccccn1 793124389 LKRUYNSQQQNRBS-CYBMUJFWSA-N 299.761 3.657 30 20 CHED C=C(C)CN(Cc1ccccc1)Cn1cc(C)cnc1=S 794650020 GAZNAIGTHKNRFB-UHFFFAOYSA-N 299.443 3.957 30 20 CHED C=CC[C@H](CCc1ccccc1)OC(=O)c1ccc(C#N)[nH]1 797565098 TXSCLVOFBLPDMM-MRXNPFEDSA-N 294.354 3.621 30 20 CHED C=CCCCCC[C@@H](C)NCCc1cn2ccccc2n1 793528382 XVHBGGNZJBHHAJ-MRXNPFEDSA-N 285.435 3.991 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(-n2ccnc2)cc1C 791459820 UWVVMOJBSBTXHB-GOSISDBHSA-N 298.386 3.826 30 20 CHED C#CCCCCCC(=O)NC[C@@H]1CCC2(CCCCC2)O1 791180355 PENKNYICQQHWGH-INIZCTEOSA-N 291.435 3.568 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C=C1CCC(C)CC1 798265645 HXQJOYMFYRMHEG-UHFFFAOYSA-N 283.375 3.675 30 20 CHED C[C@H](C=NNc1ncncc1F)CC1CCCCC1 793211470 MOHLOKCODXJIKR-NSHDSACASA-N 264.348 3.620 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(F)cn1 793534781 PYOMJHJGOONODG-CYBMUJFWSA-N 250.361 3.835 30 20 CHED N#CCCN(Cc1ccc(C(F)(F)F)cc1)CC1CC1 81044225 VOTVEKJKSHGGFC-UHFFFAOYSA-N 282.309 3.831 30 20 CHED CC(C)CN(CCC#N)Cc1nc(Cl)ccc1Cl 61631359 HZXOPNJXNWIPIW-UHFFFAOYSA-N 286.206 3.760 30 20 CHED C[C@H](NCCCC#N)c1ccc(F)cc1Br 273197252 IDPRFAUAPVOUOQ-VIFPVBQESA-N 285.160 3.543 30 20 CHED COCc1csc(CN[C@H](C)c2ccc(C#N)cc2)c1 594725382 JTVIGMFRJTUZOR-GFCCVEGCSA-N 286.400 3.617 30 20 CHED CC1(C)CCCN(C(=O)c2ccsc2Cl)[C@H]1C#N 597567829 IGNBSQSUCZEYQT-JTQLQIEISA-N 282.796 3.556 30 20 CHED CC(C)CN(CCC#N)Cc1cnc(C(C)(C)C)s1 768153249 BKWYMPIFNMPDBJ-UHFFFAOYSA-N 279.453 3.812 30 20 CHED N#Cc1ccc(F)cc1CSCc1cn2ccccc2n1 1252893407 BXZCTPWMJABJQJ-UHFFFAOYSA-N 297.358 3.778 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2cccc(CC#N)c2)CC1 584622720 QWSRUDZWGROZPA-MQMHXKEQSA-N 256.349 3.517 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc(Cl)cc1 695858055 GVHRQFSPQRGACW-LLVKDONJSA-N 250.773 3.758 30 20 CHED CCCCCCCCN1CCN([C@@H](C#N)C(C)C)CC1 740877160 DMPJWWRCLNFRMQ-KRWDZBQOSA-N 279.472 3.513 30 20 CHED CC(C)Oc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)CC#N 1339161076 IWLCHDMUWSVKQL-NSHDSACASA-N 294.782 3.501 30 20 CHED C=C(C)CCC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F 1335970629 LCBZCOLANJWNLV-SNVBAGLBSA-N 292.326 3.527 30 20 CHED N#C[C@@H](C(=O)c1cccc(C2CCC2)c1)c1cccc(F)n1 1357651834 VMKIHZRRVCNFOS-OAHLLOKOSA-N 294.329 3.978 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 1354602204 YXADJGBDNSHUKY-UHFFFAOYSA-N 298.317 3.737 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2C)c2c1CCC2 1525481473 XKGLLDDBCVRKBT-UHFFFAOYSA-N 290.366 3.916 30 20 CHED CCC[C@@H](C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1524696303 QWAFWXZUBHEQRU-CABCVRRESA-N 296.345 3.981 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccccc1CC(C)(C)C 1464239024 KIAQQZIYFGYFBM-AWEZNQCLSA-N 286.419 3.897 30 20 CHED CC[C@@H]1COC(C)(C)CN1CCC1(C#N)CCCCC1 1460368754 LDSLDBSUFLGZSL-OAHLLOKOSA-N 278.440 3.740 30 20 CHED C=CCNc1nc(-c2c[nH]c3ccc(C(=O)O)cc23)cs1 1609407076 FRXQIUZEZASSSO-UHFFFAOYSA-N 299.355 3.588 30 20 CHED CCN(C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H](C)C#N 1533560743 QLVRKQGGGOORJF-UTUOFQBUSA-N 290.329 3.506 30 20 CHED C#Cc1ccc(NCc2cc(C)c(C(=O)O)o2)c(Cl)c1 1602738845 OIZPIIOYGQHCCE-UHFFFAOYSA-N 289.718 3.533 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 1470353536 OVQNSWXYCDRDHV-HLLBOEOZSA-N 291.439 3.538 30 20 CHED CCCC[C@@H](CC)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1543403669 HHBRTPVAUMJFJJ-GFCCVEGCSA-N 298.390 3.980 30 20 CHED Cc1cc(OCc2ccc(C#N)c(C)c2)c(C(=O)O)s1 1610476372 RBPYQYZZIODCDL-UHFFFAOYSA-N 287.340 3.514 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)cc1 1544677234 PVALUMNFKHXALN-ZBFHGGJFSA-N 270.376 3.504 30 20 CHED Cn1c(SCCc2ccc(C#N)cc2)nc2ccccc21 1559306862 LQXSRQYGYRJIGK-UHFFFAOYSA-N 293.395 3.780 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)C1CCC1 1556981082 YJCLZZVNXQMCJE-MRXNPFEDSA-N 270.376 3.565 30 20 CHED CCN(C[C@](C)(CC)OC)[C@@H](C)c1ccc(C#N)cc1 1560684839 BGLCWWFJGOVXHP-YOEHRIQHSA-N 274.408 3.756 30 20 CHED Cc1ccc(C#N)c(Oc2cnc3c(C)cccc3c2)n1 1640042988 CHGDKMMPLWFKFE-UHFFFAOYSA-N 275.311 3.911 30 20 CHED COc1cc(C(=O)/C=C/c2cc(C)ccc2C)ccc1O 5156325 XXYKJCVMSBNMFH-SOFGYWHQSA-N 282.339 3.914 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2nc(-c3ccccc3)cs2)C1 1659929366 KVZNQSIGQRTUHQ-DZGCQCFKSA-N 297.427 3.982 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)Nc1cccc(C#N)n1 1584687751 HLPVNNWUZYXMNY-UHFFFAOYSA-N 293.370 3.794 30 20 CHED CC(C)c1ccc(CN(C)Cc2cccc(C#N)n2)cc1 1657203679 XASQEOIYRVSENO-UHFFFAOYSA-N 279.387 3.709 30 20 CHED C=C1CCC(C(=O)Nc2sc(CC)cc2C(=O)O)CC1 1588650035 UDPJKOBVZGGGGE-UHFFFAOYSA-N 293.388 3.694 30 20 CHED CC(C)OCc1cccc(-c2ccc(C(=O)O)c(C#N)c2)c1 1591735850 VJUNSRRDORUXSF-UHFFFAOYSA-N 295.338 3.848 30 20 CHED Cc1cnc(OC(C)C)c(NCc2ccc(C#N)c(C)c2)c1 1662516163 NDTPUPQUDDNLHF-UHFFFAOYSA-N 295.386 3.969 30 20 CHED CC(CCCC(C)C)=NNc1ccccc1C(=O)O 1776030366 RNZPQYDOENEBMT-UHFFFAOYSA-N 262.353 3.999 30 20 CHED O=C(O)c1ccc(NN=C/C=C\c2ccccc2)cc1F 1776077187 YQSOCCUBCKWDMH-HMUYFDHHSA-N 284.290 3.635 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1ccc(/C=C\C(=O)O)o1)C2 1777455682 MHVSJFUCPBDTIJ-JFEWECSBSA-N 294.306 3.508 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](CC)c1ccc(F)cc1F 161950469 ZWAJYXIMTSKJMB-OAHLLOKOSA-N 294.345 3.800 30 20 CHED C=CCOc1ccc(CNc2ccc(C#N)cc2)cc1OC 162045894 OYQRFADJERWUDP-UHFFFAOYSA-N 294.354 3.744 30 20 CHED N#Cc1ccc(SCCCCCCO)c(Cl)c1 163283711 KETBXXDJPYNWCX-UHFFFAOYSA-N 269.797 3.856 30 20 CHED C#CC[C@@H](C)OC(=O)c1cc(-c2ccccn2)ccc1Cl 164136443 KGTNYZAKMREDDA-GFCCVEGCSA-N 299.757 3.971 30 20 CHED N#CCC[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1ccccc1 151389517 JDJLLEFLGKYYCC-DOTOQJQBSA-N 297.402 3.687 30 20 CHED C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1cccc(C#N)c1 153731418 AFMGHVSIUAPBLU-SWLSCSKDSA-N 272.392 3.555 30 20 CHED CCN(Cc1cc(C#N)cs1)Cc1ccccc1C 153743868 JWEHZCUVRBOGGP-UHFFFAOYSA-N 270.401 3.950 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1O 8322703 XVSFDHPOGCMZOB-SOFGYWHQSA-N 282.339 3.914 30 20 CHED COc1cc(/C=C2/CCCC(C)(C)C2=O)cc(OC)c1O 159011422 QNWXJXFUNOPORU-WQLSENKSSA-N 290.359 3.572 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2sccc2C)c1 834902998 NETBZSNXZOLSNC-ZDUSSCGKSA-N 255.386 3.889 30 20 CHED CS[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 224659876 WIIBTFDOLNUQNR-VBNZEHGJSA-N 274.433 3.883 30 20 CHED C[C@H](NC[C@@H]1CCC[C@@H]1C)c1ccc(OCC#N)cc1 230658224 PECFOPDGWBITSZ-DZKIICNBSA-N 272.392 3.676 30 20 CHED CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C)CC#N)c1ccccc1 251769901 IHDSVOAJHPNREU-SQWLQELKSA-N 272.392 3.577 30 20 CHED Cc1ccc([C@@H](C)Nc2cc(C#N)cc(C)n2)cc1 161006556 WWFKKKCORYNKNN-CYBMUJFWSA-N 251.333 3.743 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C=CCC2)c(Cl)c1 269211305 OKNAKAPYUUVGFS-SNVBAGLBSA-N 260.724 3.506 30 20 CHED Cc1cc(F)ccc1NC(=O)Nc1cccc(C#N)c1 48682843 GUTICAMYGHQFJV-UHFFFAOYSA-N 269.279 3.650 30 20 CHED C[C@H]1[C@H](C)CCN1Cc1ccc(Br)cc1C#N 347048281 HTOBRBCTBFIXLX-MNOVXSKESA-N 293.208 3.551 30 20 CHED C=CCCCCNc1ccc([N+](=O)[O-])c2cnccc12 302248984 LWPNHMLKEOZULZ-UHFFFAOYSA-N 271.320 3.911 30 20 CHED C#Cc1cccc(NC(=O)c2cc(F)ccc2Cl)c1 312011451 WMZLMMBJFZXLGJ-UHFFFAOYSA-N 273.694 3.713 30 20 CHED CC(C)c1nc(/C(O)=N/[C@H](CO)CC2CCCC2)cs1 330450516 YCDZEHGGWHZNQR-LBPRGKRZSA-N 296.436 3.512 30 20 CHED N#CCCC1CCN(Cc2cccc3ccoc23)CC1 573847613 MOIWPZUOHUKDKY-UHFFFAOYSA-N 268.360 3.949 30 20 CHED C=CCCSCCNC1CCC(CSC)CC1 595058263 GADCIUVIJAXPMI-UHFFFAOYSA-N 273.511 3.807 30 20 CHED C=CCCCCNCc1ccc(N2CCCC2)cc1 381903307 RRTSAGOTTOEIKU-UHFFFAOYSA-N 258.409 3.733 30 20 CHED CCCCCCCCCN[C@H](C)c1csnn1 398318229 GUFMZQUVJMQUJY-GFCCVEGCSA-N 255.431 3.939 30 20 CHED CCCCCCCCCN1[C@H](C)CC[C@@H]1C(=O)O 1573841733 YUKIDPQYVZGJNM-ZIAGYGMSSA-N 255.402 3.675 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1csc([N+](=O)[O-])c1)C2 108145202 ZYHWGNNFLXYTTQ-XGICHPGQSA-N 285.324 3.787 30 20 CHED COc1ccc([C@@H](NCCCC#N)c2ccc(F)cc2)cc1 109790676 XOURUWMKCMOJRI-SFHVURJKSA-N 298.361 3.817 30 20 CHED Cc1ccccc1N(C(=O)c1ccc(C#N)cc1)C(C)C 105584943 XVCYZVLLJCZTDS-UHFFFAOYSA-N 278.355 3.922 30 20 CHED CC[C@@H](C)CN(CC)c1nc(Cl)c(C#N)s1 309444897 OWNIBPKRMSZIGJ-MRVPVSSYSA-N 257.790 3.541 30 20 CHED COc1cc(C)c(/C=C/C(=O)c2ccco2)cc1OC 118992409 PWMRGWMQMYYTSP-VOTSOKGWSA-N 272.300 3.501 30 20 CHED C#CCOc1ccc(F)cc1NCc1cccc(COC)c1 174534629 DFYCJIGYZBFJET-UHFFFAOYSA-N 299.345 3.596 30 20 CHED N#Cc1c(Cl)nsc1NC[C@H]1CCc2ccccc21 110596107 NMLRKCOPSMTVOO-SNVBAGLBSA-N 289.791 3.810 30 20 CHED CC(C)n1cc2cc(NC(=O)C3(C#N)CCCC3)ccc2n1 118625753 GJZMRZMEBRKWPU-UHFFFAOYSA-N 296.374 3.640 30 20 CHED CCCCCCC(=O)N[C@@](C)(C#N)CCc1ccccc1 110844512 YTZKVRALHFPYHB-GOSISDBHSA-N 286.419 3.988 30 20 CHED CC(C)c1ccc(C(=O)N[C@H](C#N)c2ccccc2F)cc1 108802286 SUXALZHHPLQHMF-QGZVFWFLSA-N 296.345 3.944 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(C)cccc1OC(F)F 109384644 RCGOBHYGPAYHLL-UHFFFAOYSA-N 296.317 3.802 30 20 CHED C=C(C)COc1cccc(NC(=O)Nc2cccnc2)c1 67015037 ZOZHPSNJVFIQOT-UHFFFAOYSA-N 283.331 3.681 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 110364136 OFMFFNRFRHCUFQ-HZPDHXFCSA-N 289.806 3.868 30 20 CHED O=C(Nc1cccnc1)c1ccc(C#Cc2ccccc2)cc1 10742097 ABSZQJNJIHEHKX-UHFFFAOYSA-N 298.345 3.734 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)CCc1ccc(C#N)cc1 10747173 SVZGHBPJYKZTCY-OAHLLOKOSA-N 292.382 3.677 30 20 CHED C=CCCCC(=O)N[C@H](C)Cc1ccc(C)cc1C 175608412 RPUOKMZCIDORCZ-OAHLLOKOSA-N 259.393 3.707 30 20 CHED C=CCn1c(C)cc(C(=O)CN(C)Cc2ccccc2)c1C 60476975 KFVWHSMIJSLLDH-UHFFFAOYSA-N 296.414 3.606 30 20 CHED N#Cc1ccccc1-c1ccc(COC(=O)C2CC2)cc1 23445480 COZPPRJUSJXYKY-UHFFFAOYSA-N 277.323 3.678 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cccc(Cl)c2Cl)C1 179922926 VJLBDHZBISDWHK-DTWKUNHWSA-N 284.142 3.842 30 20 CHED N#Cc1cccc(CN[C@@H]2CCC[C@@H]2c2ccccc2)c1 111412695 VTTZTHYOJFTOPY-RTBURBONSA-N 276.383 3.984 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)c(C)n1)C1CCCCC1 409535294 MZELJPUCXPCHHP-INIZCTEOSA-N 299.418 3.741 30 20 CHED C=CCc1cc(CN(C)C2CCCC2)cc(OC)c1O 179797436 WZVCKHARAHWOCX-UHFFFAOYSA-N 275.392 3.504 30 20 CHED C=CCOc1ccc(C(=O)O[C@H](C)c2cccnc2)cc1 113473947 XTVXWIYCNWTKDW-CYBMUJFWSA-N 283.327 3.564 30 20 CHED Cc1cc(NC(=O)/C=C/c2ccccc2C#N)ccc1F 171190672 NZTFAYQZVFAOHL-RMKNXTFCSA-N 280.302 3.658 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1c(F)cccc1Cl 301488712 JWHSNLAXERUPJE-SECBINFHSA-N 275.714 3.919 30 20 CHED Cl/C=C\CON=Cc1cscc1Br 308178672 FFOWOJCGQRXZDS-ZOEVGWLASA-N 280.574 3.614 30 20 CHED Cn1ncc(CSc2ccccc2C#N)c1C(F)(F)F 176621637 VHYWCUPAJFXHMS-UHFFFAOYSA-N 297.305 3.603 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](c1ccccc1)C(C)C 173424769 LYOQNDVNURVBSR-MRXNPFEDSA-N 259.393 3.851 30 20 CHED N#Cc1cccc(CNCc2csc(-c3ccco3)n2)c1 66971893 IIEYZLWSTMRCKG-UHFFFAOYSA-N 295.367 3.565 30 20 CHED N#Cc1cccnc1N(Cc1ccc(Cl)cc1)C1CC1 301237569 DTZVPYVCRSHWSW-UHFFFAOYSA-N 283.762 3.776 30 20 CHED N#Cc1ccc(N2CC=C(c3ccc(O)cc3)CC2)cc1 301106253 UDIXUFBMVUJWMW-UHFFFAOYSA-N 276.339 3.558 30 20 CHED CCc1ccc([C@H](Nc2ccc(C#N)nn2)C(C)C)cc1 301913185 HJWMMCIZLJOOBA-QGZVFWFLSA-N 280.375 3.720 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)c1cccs1 185242813 MAZAPTUPAPNXPS-NEPJUHHUSA-N 251.395 3.918 30 20 CHED C=CCCC[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 182683495 JEJMVDIIPZMZTR-GJZGRUSLSA-N 272.392 3.812 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 180948656 HASAVOYTIUSNNH-RYUDHWBXSA-N 278.352 3.609 30 20 CHED CC(C)c1ccc(C[C@H](C)NCc2ccc(C#N)o2)cc1 122263864 GPHZJSAAJYGWBZ-AWEZNQCLSA-N 282.387 3.995 30 20 CHED C[C@@H](S[C@H](C)c1cnccn1)c1ccc(C#N)cc1 185561364 REOUMZXOQIXWFS-VXGBXAGGSA-N 269.373 3.904 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 185733941 SOEHHOBXZXACSE-IUODEOHRSA-N 287.363 3.749 30 20 CHED C=C(C)[C@H](NC(=O)COC(C)(C)C)c1ccc(F)c(F)c1 186047497 SFAPWGCFJYDEND-HNNXBMFYSA-N 297.345 3.513 30 20 CHED N#CCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1 315777415 VBJKRIREYMWWFC-UHFFFAOYSA-N 296.414 3.503 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CC)c1ccccc1 413648104 LNYYBRWGZAONIE-OAHLLOKOSA-N 260.381 3.745 30 20 CHED CN(CC1CCCCC1)C(=O)Nc1ccc(CC#N)cc1 78248093 QEAIDXARNJQJPT-UHFFFAOYSA-N 285.391 3.797 30 20 CHED CN(CCC1(C#N)CCCCC1)[C@H](CO)CC(C)(C)C 411801001 YHAFTLYGEJCPRD-HNNXBMFYSA-N 280.456 3.579 30 20 CHED COCCSc1ccc([C@H](C)N[C@H](C)CCC#N)cc1 411465234 OHBONLHQTRPEMW-KGLIPLIRSA-N 292.448 3.768 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccc(Cl)cc2[nH]1 410143740 SEWYAVUFGKVGTL-LBPRGKRZSA-N 276.767 3.906 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)cc1 502202461 KALAUOGFHBLYKV-HUUCEWRRSA-N 287.403 3.760 30 20 CHED N#CC1(COC(=O)C2(c3ccccc3)CCCC2)CCC1 183869723 GEXONKTXOJMXMI-UHFFFAOYSA-N 283.371 3.735 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCCc2cc(C#N)ccc21 411002350 PMIIOXMWESGZEW-CRAIPNDOSA-N 282.387 3.520 30 20 CHED C=CCCN[C@H](CC)c1nc(C(F)(F)F)cs1 185957411 CLVOWPSRJMPRCE-MRVPVSSYSA-N 264.316 3.779 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 76580445 FVMJSBXNXSDYHI-OAHLLOKOSA-N 286.419 3.736 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1cccc(OC)c1 185026659 HWXFXNARJRDGSG-KRWDZBQOSA-N 285.387 3.552 30 20 CHED C[C@@H](NC(=O)[C@H](C)c1ccccc1F)c1cccc(C#N)c1 75276315 FOKVNRLRKQBTHH-CHWSQXEVSA-N 296.345 3.678 30 20 CHED CC(C)(C)c1nnc(SCc2cc(C#N)ccc2F)o1 48601407 VMBQOTWKXRPQBA-UHFFFAOYSA-N 291.351 3.670 30 20 CHED Cc1ccc2oc(C(=O)NC3(C#N)CCCCC3)cc2c1 42273111 QIBDTPKONPBSOD-UHFFFAOYSA-N 282.343 3.698 30 20 CHED CCc1nc(N=C(O)c2conc2C2CC2)sc1C 329217722 QQKFGJGSHUQXOR-UHFFFAOYSA-N 277.349 3.516 30 20 CHED CN(C)c1cccc(C(=O)Nc2ccc(C#N)cc2Cl)c1 226345715 UVYGUQIEJKJMCR-UHFFFAOYSA-N 299.761 3.530 30 20 CHED C[C@@H]1C[C@H](NC(=O)C(C)(C)C#N)C[C@@H](c2ccccc2)C1 412683564 XFTFLBPSTHAFFR-BPUTZDHNSA-N 284.403 3.625 30 20 CHED CC1(C)CCC(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)CC1 131987024 LJPWWSNSGNMGIW-OAHLLOKOSA-N 298.386 3.550 30 20 CHED CCN(Cc1cc(C#N)cs1)Cc1occc1C 414557385 ZVLPBNYPPXHTLP-UHFFFAOYSA-N 260.362 3.543 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1 49882725 MHBWWDQOHQUEEC-OAHLLOKOSA-N 284.746 3.643 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cccc(Cl)c2C)n1 193801311 UJOFDTWPVXKWJO-NSHDSACASA-N 290.775 3.903 30 20 CHED CC(C)(C#N)CCNc1ccccc1OC(F)F 87591210 YFTQYXMPKLQIBB-UHFFFAOYSA-N 254.280 3.640 30 20 CHED CC(C)(C#N)CCC[S@@](=O)c1cc(Cl)ccc1F 505813922 DIZYHBPMDRHJKY-GOSISDBHSA-N 287.787 3.917 30 20 CHED Cc1cc(C)c([N+](=O)[O-])cc1NCc1ccccc1C#N 192541386 HKJOAFSRNPJICU-UHFFFAOYSA-N 281.315 3.695 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccsc1C(F)(F)F 529528671 JJBSLRMXYDPOGI-QMMMGPOBSA-N 262.300 3.501 30 20 CHED N#Cc1ccc(N[C@@H]2CCOc3c(Cl)cccc32)nc1 49322362 ULJREDFJZDIUSC-CYBMUJFWSA-N 285.734 3.542 30 20 CHED C=C[C@@H](CC(=O)[C@@H](C#N)c1nc(C)cs1)c1ccccc1 136092173 HBBQGZGGIVFWFY-DZGCQCFKSA-N 296.395 3.988 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)c2cccc(C#N)c2)n1 80456377 GGKOUAGWOVDRBZ-CYBMUJFWSA-N 295.367 3.628 30 20 CHED N#Cc1c(F)cccc1CNc1cccc(F)c1F 427435562 OMRQWEAXOJFDHU-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CC(C)[C@H](Nc1cncc(C#N)n1)c1ccc(Cl)cc1 420582644 HUSWGVFXEGICQF-HNNXBMFYSA-N 286.766 3.811 30 20 CHED CN(Cc1c(Cl)cccc1Cl)c1ncccc1C#N 519887717 JUIBSSYQUUVKEG-UHFFFAOYSA-N 292.169 3.896 30 20 CHED Oc1cccc2c1CCC[C@@H]2NCC#Cc1ccc(F)cc1 192354711 RZKCKOIMGVSUGU-SFHVURJKSA-N 295.357 3.550 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)c1ccc2ccccc2c1 190677129 HOKAFJNTBOMBTP-AWEZNQCLSA-N 289.382 3.901 30 20 CHED C=C[C@H](C)N[C@@H]1CCc2cc(Br)cc(C)c21 381328083 RWDMTRBMXDVEGX-GXFFZTMASA-N 280.209 3.909 30 20 CHED C=C[C@H](CC(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 136535336 QRDRZXAJZMMYKN-ZBFHGGJFSA-N 276.339 3.618 30 20 CHED CC1(C)CCC[C@H](C(=O)Nc2ccccc2C#N)C1 179359074 DVTZAEGKPRLCGZ-LBPRGKRZSA-N 256.349 3.713 30 20 CHED O=C1/C(=C/c2cccc(O)c2)CCc2ccc([N+](=O)[O-])cc21 193155377 LOJGFVBQOGKQJQ-MDWZMJQESA-N 295.294 3.513 30 20 CHED C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)C1CCCCC1 424995177 KCVCHSDXTKUQBN-QAPCUYQASA-N 298.430 3.844 30 20 CHED COc1ccccc1C[C@@H](C)N(C)CCCC(C)(C)C#N 88194798 HNKADTCCXTUPMS-OAHLLOKOSA-N 288.435 3.888 30 20 CHED CC(C)c1cccc(N=C(O)N[C@H]2CCC[C@H]2C#N)c1 330756321 DNZXGMDYWHPBLD-ZFWWWQNUSA-N 271.364 3.637 30 20 CHED N#CCCN(Cc1cccc(C2CC2)c1)Cc1ccccn1 421317964 BBCFXJHCPXBOFE-UHFFFAOYSA-N 291.398 3.875 30 20 CHED N#Cc1ccc(N2CC[C@@H](COCc3ccccc3)C2)cc1 266244080 LVJLXKLPSOUPBE-GOSISDBHSA-N 292.382 3.601 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)NCC(C)(C)C#N)oc12 336325925 BMCNMRUEOYPIJB-UHFFFAOYSA-N 284.359 3.638 30 20 CHED C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C#N)cc2)C1 336074836 NTZKXIGFURXQOU-XJKSGUPXSA-N 284.403 3.748 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccn(Cc2ccccc2)c1 337085230 DFUSIBSKTYEKAQ-QGZVFWFLSA-N 282.387 3.621 30 20 CHED Cc1noc(N=C(O)[C@H]2C[C@@]23CCOc2ccccc23)c1C 330107271 LWVINEQXDSVXFU-CXAGYDPISA-N 298.342 3.620 30 20 CHED C[C@H](C#N)CN(C(=O)CCc1cc2ccccc2o1)C1CC1 338301231 FEUBBDZOBRWJHC-CYBMUJFWSA-N 296.370 3.516 30 20 CHED C[C@H](C#N)Oc1ccc(CNCCSC(C)(C)C)cc1 237453567 SBWYKTCBHKETRL-CYBMUJFWSA-N 292.448 3.599 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1ccc(CO)cc1 438313045 CYPPXXNMYHRNMB-UHFFFAOYSA-N 298.382 3.803 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1C=CCCC1 512542658 SQTITKZBIGKMDO-QGZVFWFLSA-N 273.424 3.951 30 20 CHED CCC(C)(C)[C@@H]1CCCN1Cc1cnc2ccc(C#N)cn12 93809436 PASZLLIOHAHQRZ-INIZCTEOSA-N 296.418 3.607 30 20 CHED CCS[C@@H]1CC[C@H](N(C)CC(C)(C)CCC#N)C1 93869071 ZWBKSYJTTYZKQK-UONOGXRCSA-N 268.470 3.922 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2)cc1 336063640 CSLKJXMEHXJGFY-UHFFFAOYSA-N 264.328 3.740 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cc(C#N)cs1 92217557 YQQWHKJUCDIPSB-UHFFFAOYSA-N 298.411 3.817 30 20 CHED CC(C)(C)c1ccc(OCCNCc2ccc(C#N)o2)cc1 236596202 VGOOAKGILHRFIX-UHFFFAOYSA-N 298.386 3.617 30 20 CHED C=CCOCCSc1nc(C)c(-c2ccccc2)[nH]1 338567603 QPTHYEMHRMDWBK-UHFFFAOYSA-N 274.389 3.680 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCC(C2CC2)C2CC2)cc1 526006737 DSQRDWYTXKECBV-UHFFFAOYSA-N 296.414 3.654 30 20 CHED CCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@H](C)C#N 91983376 PSDOCWSATOZLQQ-CYBMUJFWSA-N 289.379 3.700 30 20 CHED Cc1ccnc(C(O)=Nc2ccc(C(C)(C)C)cc2)n1 330989402 MDZMEKKWMCZSCW-UHFFFAOYSA-N 269.348 3.719 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCC2(CC2)C1 338849418 LBLDOHMYPLSUAA-CQSZACIVSA-N 288.439 3.748 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 524194453 BCOWLIAWBWURNN-HUUCEWRRSA-N 289.419 3.967 30 20 CHED Cc1ccc([C@@H](C)Nc2snc(C)c2C#N)s1 92912555 SAXLWJZJGXVXDU-SECBINFHSA-N 263.391 3.866 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)cc1 248121905 XXIIROPDIKIUHY-SFHVURJKSA-N 290.366 3.844 30 20 CHED CC(C)(CCC#N)CNCc1ncc(C(C)(C)C)s1 342276620 KLTYJJUYYHREOL-UHFFFAOYSA-N 279.453 3.860 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1ccc(F)cc1F 432090655 RYQLJFYSRYERDH-LLVKDONJSA-N 296.361 3.927 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1snc(C)c1C#N 341752995 ZUMYXLQCXZWRRF-AWEZNQCLSA-N 269.373 3.731 30 20 CHED COc1ccc2c(c1)[C@@H](NCC(C)(C)CCC#N)CC2 348218177 QRCSPNPWMAXPIC-INIZCTEOSA-N 272.392 3.602 30 20 CHED Cn1cc(-c2ccc(/C=C\c3ncccc3C#N)s2)cn1 436473262 LFSWCSALPAGCCX-XQRVVYSFSA-N 292.367 3.586 30 20 CHED CC(F)(F)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 340426757 NSGLNORQUNQELG-TZMCWYRMSA-N 264.319 3.580 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)[C@@H](C)CC 606921211 ZBJDTXFNWALKJT-UONOGXRCSA-N 254.418 3.809 30 20 CHED Cc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)ccn1 527537579 CVWPUNPRSREWAP-UHFFFAOYSA-N 289.382 3.551 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1cc(C)ccc1F 432562526 LKBOHOKCSFEJGQ-UHFFFAOYSA-N 292.398 3.878 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@H]2CCC[C@H]21 433377573 NFUOULQDBIQMNN-FGTMMUONSA-N 296.414 3.550 30 20 CHED CC(C)[C@@H](NCC1(C#N)CC1)c1ccc(F)cc1F 343582540 PWZKQPBQNJZIME-CQSZACIVSA-N 264.319 3.555 30 20 CHED N#CC1(F)CCN(Cc2csc(Cl)c2Cl)CC1 348715764 QWFGMCJFMYHWJV-UHFFFAOYSA-N 293.194 3.883 30 20 CHED N#CCc1ccccc1C(=O)NCCC1=CCCCCC1 601450601 DBKXOMAEWQJTEE-UHFFFAOYSA-N 282.387 3.763 30 20 CHED CC(C)c1nc(Cn2nc(C#N)c3ccccc32)cs1 344743382 AYLDYHWRWVLHAI-UHFFFAOYSA-N 282.372 3.536 30 20 CHED C=CCC1(C(=O)N2CCOC3(CCCCC3)C2)CCCC1 449949652 FZNKUNWZFSGLNZ-UHFFFAOYSA-N 291.435 3.685 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)c(O)cc1C 444646925 CDXKPCZQFYWEKO-UHFFFAOYSA-N 259.349 3.716 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCSc1ccc(C#N)cn1 603724629 JSJXFQKATJQJOY-OCCSQVGLSA-N 276.405 3.641 30 20 CHED CCC[C@@]1(C(F)(F)F)CCCN1CCCCC#N 441312713 WWHNHZANWHQMBJ-LBPRGKRZSA-N 262.319 3.877 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(C#N)n1 602563967 KBDDWBFMAGJDLS-KPZWWZAWSA-N 295.361 3.506 30 20 CHED C[C@@H]1c2ccccc2OCCN1c1ncc(C#N)cc1Cl 609630928 PPKYWUGFHPPBAC-LLVKDONJSA-N 299.761 3.567 30 20 CHED C=CCCC1(C(=O)Nc2ccc(F)c(F)c2)CC1 353336261 NKHVCJIIHAALJJ-UHFFFAOYSA-N 251.276 3.650 30 20 CHED N#CC1CCN(Cc2ccc(Sc3ccccn3)o2)CC1 350871077 PGCLTDGBLAHJFD-UHFFFAOYSA-N 299.399 3.561 30 20 CHED Cc1ccc(C#N)cc1NCc1ncccc1C(F)(F)F 354850009 KVNQBXIHJUXWBH-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC(C)N(CCC#N)Cc1nc(-c2ccccc2)cs1 535795775 KDKPJEMUXAGNCC-UHFFFAOYSA-N 285.416 3.934 30 20 CHED C=CCC[C@H](O)CN[C@H](CC1CCC1)c1ccccc1 351101529 OBXHLUFCSVVREY-ZWKOTPCHSA-N 273.420 3.835 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCCc2ccc(F)cc21 357473720 MFSSLAGAPAWTTJ-DOTOQJQBSA-N 275.367 3.922 30 20 CHED Cc1oc2ncnc(NCC(C)(C)CCC#N)c2c1C 352206844 PMEAQQDWEYZSSG-UHFFFAOYSA-N 272.352 3.582 30 20 CHED C=CC[C@@H]1N(Cc2cccc(O)c2OC)CCCC1(C)C 446829746 LDMHLVZMPJQHJN-INIZCTEOSA-N 289.419 3.968 30 20 CHED Cc1cccc(O[C@@H](C)CNCc2ccc(C#N)cc2F)c1 533446399 VJAZDCVWEHCUEZ-AWEZNQCLSA-N 298.361 3.563 30 20 CHED C=C(C)[C@H](CC(=O)N(C)C1CCC(C)(C)CC1)OCC 533706292 KUEKUKCUUUHXFX-HNNXBMFYSA-N 281.440 3.785 30 20 CHED CC(C)n1cc(/C=C2\Cc3c(F)ccc(F)c3C2=O)cn1 269731474 XSXQGUVTPITNNX-VZUCSPMQSA-N 288.297 3.565 30 20 CHED Cc1ccc2c(c1)nc(-c1ccc(C#N)cc1F)n2C 448110744 TYJKIWSRSZYPPZ-UHFFFAOYSA-N 265.291 3.560 30 20 CHED C=CCN(CCc1ccco1)Cc1csc(C2CC2)n1 352701647 MBVNNZNVDXLDEQ-UHFFFAOYSA-N 288.416 3.844 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 448819448 VTKXIUYWYKEEKD-OKZBNKHCSA-N 294.398 3.509 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](COC)c1ccc(CC)o1 532235921 NDLLIYKQQMUZGA-KCQAQPDRSA-N 265.397 3.720 30 20 CHED N#CCCCNC(=O)Nc1cccc(-c2ccccc2)c1 353031891 FXMMRGKNAICORY-UHFFFAOYSA-N 279.343 3.779 30 20 CHED CCC(CC)n1ccc(CO/N=C/c2ccc(F)cc2)n1 269356770 UHRZEVYITCHAFZ-WOJGMQOQSA-N 289.354 3.934 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CCCC[C@H]1CCC)OCC 533716153 CYAVVGHYLJFUJX-OAGGEKHMSA-N 281.440 3.833 30 20 CHED C=C(CC)CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 459671286 WHZSCUQXZHIGIW-CYBMUJFWSA-N 291.357 3.634 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1C(=O)Nc1cccc(CC#N)c1 456756266 SPUUFQHMLIYLMS-IEBWSBKVSA-N 290.366 3.669 30 20 CHED CC[C@H](C)n1ncc(N[C@H]2CCC[C@H](C#N)C2)c1C 618577843 LTERRPVOBBRMBA-UBHSHLNASA-N 260.385 3.657 30 20 CHED CCC1(CC)CCN(C(=O)c2ccc(C#N)s2)CC1 362460565 MFNWSNFTQQISAF-UHFFFAOYSA-N 276.405 3.662 30 20 CHED C=CCN(C(=O)N[C@H](CCC)Cc1ccccc1)C1CC1 537908342 JPEPIPOASLWYQK-MRXNPFEDSA-N 286.419 3.758 30 20 CHED Cc1ccc(C)n1C1CCN(c2ccc(F)cc2C#N)CC1 360985638 HWKSVYKHUFOCKG-UHFFFAOYSA-N 297.377 3.957 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 617787177 IQLIICRMDZIRDZ-NSHDSACASA-N 298.308 3.529 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1CCc2cc(C#N)ccc21 618806890 SICHJRYYHRDNBW-JLZZUVOBSA-N 268.404 3.960 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](c1ccccc1)c1cnn(C)c1 369911782 YXSZWLZSUJBPSM-DAYGRLMNSA-N 283.419 3.700 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H](C#N)C1)CC2 613254401 ISIAEJXGKYHYHT-YSVLISHTSA-N 254.377 3.654 30 20 CHED Cc1cc(C(F)(F)F)ccc1C(=O)N(C)CC(C)(C)C#N 452144399 GGNZPNMEOCQFNT-UHFFFAOYSA-N 298.308 3.636 30 20 CHED CC[C@H](CC#N)N[C@H](CCc1ccccc1)C(F)F 273836187 GUVXAHRWPSBODY-ZIAGYGMSSA-N 266.335 3.535 30 20 CHED C=C(CC)CNC(=O)CCCCC(=O)c1ccc(F)cc1 456810544 GGRMMUUGZWIVNZ-UHFFFAOYSA-N 291.366 3.651 30 20 CHED CC#CCCCC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 279892422 FDEOOEFYCGHLHG-RDJZCZTQSA-N 287.378 3.772 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H]1CCCC[C@H]1CC 459010662 XCZNSSBVMDPZFQ-KGLIPLIRSA-N 252.402 3.563 30 20 CHED C=CCC1(C(=O)Nc2cnc(C)s2)CCCC1 450202539 DJWKGZQGKWSAEK-UHFFFAOYSA-N 250.367 3.527 30 20 CHED CC(C)[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccncc1 456760536 WZZMYGJIHXPAAT-KRWDZBQOSA-N 293.370 3.526 30 20 CHED C=CCCCN1CC[C@@](F)(c2ccccc2F)C1 549077957 UYDFUJDEKHWQPE-HNNXBMFYSA-N 251.320 3.662 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC2(CCC2)C1 548839727 NFHFLAGUJRFPKI-UHFFFAOYSA-N 286.423 3.502 30 20 CHED CC(C)CCC[C@H](C)NC(=O)N1CCC(CC#N)CC1 543773083 IEGOPJIAYBTVFB-AWEZNQCLSA-N 279.428 3.536 30 20 CHED COCc1ccc(-c2noc(C3(C#N)CCCCC3)n2)cc1 273809233 VRXPIUFWQNDLMO-UHFFFAOYSA-N 297.358 3.608 30 20 CHED C[C@H](NC[C@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 453322062 QNLYSVVXKTYMDD-HOCLYGCPSA-N 284.403 3.558 30 20 CHED C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 271868244 MANAIIMAIPUNEW-KXBFYZLASA-N 294.398 3.723 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)NCC(C)(C)CC#N)CCC2 458776582 XERWYEQZKMKZRC-INIZCTEOSA-N 299.418 3.612 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)CCCC2=O 452314626 SOPBBVDTFQNXKM-QGZVFWFLSA-N 271.360 3.746 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 451562844 JWCBWNPUAXWYBZ-MRXNPFEDSA-N 297.320 3.574 30 20 CHED C=CCCC(C)(C)NC(=O)C1CCC(F)(F)CC1 620858172 YTUVDOGKNHHRHK-UHFFFAOYSA-N 259.340 3.673 30 20 CHED COc1cccc(N[C@H](C)c2ccc(C#N)c(F)c2)c1 540708828 DMYLVXQKOOYUKZ-LLVKDONJSA-N 270.307 3.879 30 20 CHED C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(C#N)cc1 272341407 ZQOMHWMYFIXJBP-AWEZNQCLSA-N 287.366 3.770 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 465243200 XCBDVIBETZDCIO-JTQLQIEISA-N 286.297 3.878 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(-c2ccccc2F)o1 271162378 LMMMZBUCGLTKES-GFCCVEGCSA-N 272.323 3.820 30 20 CHED Cc1nc(-c2ccccc2)sc1NC(=O)C1(C#N)CCC1 273279481 CZGCOWGWICNHAB-UHFFFAOYSA-N 297.383 3.751 30 20 CHED C[C@H](CCc1ccccc1)CN(CCC#N)CC1CC1 540497092 ISRDWMUVUXPUDW-MRXNPFEDSA-N 270.420 3.881 30 20 CHED C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccccc1 377001610 JHTJBVDPCWWSPI-ZBFHGGJFSA-N 299.418 3.719 30 20 CHED C=CCC(CC=C)C(=O)N(CC)c1ccccc1OC 467830223 KJLQOTYSMKTTAK-UHFFFAOYSA-N 273.376 3.817 30 20 CHED N#Cc1ccc2nc(N3C[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3)ccc2c1 549220541 KVQFPOPASUEQJY-NXNVCVFFSA-N 289.382 3.589 30 20 CHED C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 465113112 XLEFJICXZZEZTD-AFAVFJNCSA-N 265.356 3.634 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(COCCOC)cc1 624232778 MIXKVLJBWFMYSM-GJZGRUSLSA-N 277.408 3.862 30 20 CHED CC[C@H](O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 374136971 PXKQYOZURMDIJR-KUHUBIRLSA-N 294.398 3.647 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2cc(C)cc(C)c2)CC1 466530347 VCPVYNUKUJBWJY-INIZCTEOSA-N 271.404 3.806 30 20 CHED CCO[C@@H]1C[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1(CC)CC 463234457 JLSJHCMCBYGACU-FXUDXRNXSA-N 278.440 3.642 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 551363843 DCPNXXFRTHIUOV-UONOGXRCSA-N 259.393 3.897 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)s1 280708297 TXYIIURFKWWIES-HAQNSBGRSA-N 286.375 3.795 30 20 CHED C[C@]1(c2ccccc2)CCCN(C[C@H](C#N)CCC#N)CC1 285432190 RENOXOAPVBLPPR-HKUYNNGSSA-N 295.430 3.874 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2c(OC)cccc2s1 467852761 GEWZIIPXFHDNJW-OAHLLOKOSA-N 290.388 3.846 30 20 CHED CC[C@](C)(C#N)C(=O)N1C[C@H](C(C)C)c2ccccc21 287278801 YRTNSUYEBZMZEV-RHSMWYFYSA-N 270.376 3.713 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(SC)ccc1C 466528389 OBBKOSJGFDUWSS-LBPRGKRZSA-N 263.406 3.801 30 20 CHED Cc1ccsc1C(=O)Nc1cc(C#N)ccc1NC1CC1 281192290 OYCYOZIOKUFSFW-UHFFFAOYSA-N 297.383 3.755 30 20 CHED C=CCN(C)C(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 551309768 XXISYXXHBJDZLN-CYBMUJFWSA-N 299.336 3.919 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)CC1CC(c2ccccc2)C1 282084099 ANSOQNCUKCTWPY-AVVWSFFYSA-N 284.403 3.625 30 20 CHED C=CCCCCCCNC(=O)C[C@H](O)c1cccc(F)c1 805220484 TZKQWECNHDWFPG-INIZCTEOSA-N 293.382 3.502 30 20 CHED Cc1cnccc1C(=O)Nc1ccccc1SCCC#N 471845715 OFADTXJPTTUFQF-UHFFFAOYSA-N 297.383 3.648 30 20 CHED C#Cc1ccc(C(=O)O[C@H]2CCc3c(Cl)cccc32)cn1 803338472 HKVNZLDMGJSEQL-INIZCTEOSA-N 297.741 3.561 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(C(F)(F)F)c(C)c1 806313396 PZEXKZSKRCZSIQ-JTQLQIEISA-N 284.281 3.547 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1c1ccc(F)cc1 479532509 PZJBQRRTKONDKG-HNNXBMFYSA-N 261.340 3.846 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCC[C@H]1CCCF 800974693 QBVJBOJKRYOSGX-RDJZCZTQSA-N 289.394 3.707 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(C(F)(F)F)[nH]1 807979508 VEAYLGQMWKOIRC-UHFFFAOYSA-N 285.244 3.927 30 20 CHED CCN(CCCOc1cccc(C#N)c1)c1cccc(O)c1 475741940 KCZDQPXXQDQQCE-UHFFFAOYSA-N 296.370 3.559 30 20 CHED C=CCCCCNc1cccc(CN(CC)C(C)=O)c1 562562668 GIZHRYBKKJXMTF-UHFFFAOYSA-N 274.408 3.823 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc2occc2c1 808820986 QNXRZWGTGGOZLD-UHFFFAOYSA-N 256.301 3.526 30 20 CHED CCC(CC)(C/N=C/c1cc2ccccc2nc1O)OC 291861384 IXARXUAEJJMOEE-WOJGMQOQSA-N 286.375 3.565 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1ccc(C#N)cc1 805696664 ICRJVMDAZDQMTC-ZDUSSCGKSA-N 270.332 3.637 30 20 CHED CC(C)(C#N)c1ccc(-c2nc([C@@]3(C)CCCO3)no2)cc1 809453429 XPWWUGZBYGZXFY-QGZVFWFLSA-N 297.358 3.563 30 20 CHED N#CCCCCCC(=O)OCCSc1ccccc1 805696945 MMGHYPKQHAJFTB-UHFFFAOYSA-N 277.389 3.796 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(C)cc2OC)no1 296900138 OWDYSVXRXMGYLT-UHFFFAOYSA-N 258.321 3.517 30 20 CHED C=CCCCCCCNCc1c(Cl)nc(Cl)n1C 808419301 PULDUIPMAKFKLQ-UHFFFAOYSA-N 290.238 3.953 30 20 CHED Cc1cc(COC(=O)c2sccc2Cl)ccc1C#N 803770626 QWDFOTAIFCLHNF-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C1CC1 293405477 YMINKSCWILNSRQ-UHFFFAOYSA-N 296.414 3.899 30 20 CHED C=CCOCCCN1CCC[C@@H](Cc2ccccc2)C1 470763928 DTZYYLPCKWUYLI-SFHVURJKSA-N 273.420 3.534 30 20 CHED CC(C)(CCC#N)CNC(=O)NC1CCCCCCC1 806281737 IKJWKVCPGNWTHO-UHFFFAOYSA-N 279.428 3.728 30 20 CHED CC[C@@H](NC[C@@H](O)C1CCCCC1)c1ccc(C#N)cc1 562593591 QFUGXXSDHDXIOJ-QZTJIDSGSA-N 286.419 3.540 30 20 CHED N#Cc1cc(F)cc(OCC#Cc2ccc(Cl)cc2)c1 569165230 URQVFUFSKKEZSK-UHFFFAOYSA-N 285.705 3.781 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 488569105 SIHARGKOVUZIDC-NILFDRSVSA-N 292.810 3.912 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NNCCC(C)(C)C)C1 814901289 HGJBWGHSQRMGHE-AWEZNQCLSA-N 296.455 3.902 30 20 CHED Cc1c(NN=C2CC[C@@H]2C2CCC2)cccc1[N+](=O)[O-] 814834770 WEXHISWDFHJRGB-GFCCVEGCSA-N 273.336 3.881 30 20 CHED CC(C)OC1CC(=NNc2nc(C(F)(F)F)cs2)C1 814867582 KSRTTWXKKCOLRP-UHFFFAOYSA-N 293.314 3.517 30 20 CHED CC(C)c1ccc(C(=O)OCc2ccc(F)cc2C#N)nc1 811262997 AGNZTAZYTJVEFT-UHFFFAOYSA-N 298.317 3.573 30 20 CHED CCCCCCCC(=O)Nc1nc2cc(Cl)ccn2n1 813258256 IYMHPJNVSYZKGY-UHFFFAOYSA-N 294.786 3.682 30 20 CHED Cc1ccccc1C1(C(=O)OCC2(C#N)CC2)CCCC1 810877618 ZVYVPUZXJTYIIE-UHFFFAOYSA-N 283.371 3.654 30 20 CHED Cn1cc(NN=C2CCCC[C@@H]2C2=CCCCC2)cn1 814915310 SSNYMHSUAUWVMO-OAHLLOKOSA-N 272.396 3.879 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccnn1CCC(C)C 573154458 GBVMEPWTUINSLA-AWEZNQCLSA-N 290.411 3.502 30 20 CHED C#C[C@H](NC(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 811947902 SMMOUCFCUWCABD-INIZCTEOSA-N 283.758 3.753 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SCc1cccnc1 488785234 RVJCOOWWHJWERU-UHFFFAOYSA-N 295.289 3.659 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)C1CCN(C)CC1 814859923 GZCIFROQARTMEN-UHFFFAOYSA-N 273.424 3.741 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(CSC)c1 810376017 JATOYDMKMJVJEZ-UHFFFAOYSA-N 295.407 3.712 30 20 CHED C=CC(C)(C)CNC[C@H](O)c1ccccc1C(F)(F)F 819346286 XGPYACBAEDQEGL-ZDUSSCGKSA-N 287.325 3.541 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(Cl)o2)c1 814872351 LQVFROKLSQOBAF-UHFFFAOYSA-N 252.676 3.827 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OCC)cc1 486752433 JNAZNXTVTQIVMF-CQSZACIVSA-N 274.364 3.658 30 20 CHED COc1cccc(CC(=NOC/C=C\Cl)C2CC2)c1 811670407 RNRATZZBKWNWLR-MJQVPGNOSA-N 279.767 3.773 30 20 CHED Cc1nc(N2C[C@H](C)C[C@@H]2c2ccccc2F)ccc1C#N 488049498 MATSQTPMMFVZJS-SJKOYZFVSA-N 295.361 3.988 30 20 CHED C=CCCn1cc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)nn1 653675851 VNEOLDFNHOLHAF-HUUCEWRRSA-N 290.455 3.501 30 20 CHED CCCCCC(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 575852496 MKMWACFJLUMGHB-MRXNPFEDSA-N 272.392 3.852 30 20 CHED N#CCOc1ccc(CSc2ncc3ccccn23)cc1 729240590 FEMFQDXSAHEVGW-UHFFFAOYSA-N 295.367 3.529 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H](C)c1ccccc1Cl 498109494 AMZVWMBRCHHTNY-QWRGUYRKSA-N 283.824 3.825 30 20 CHED CC[C@H](CC#N)NCCOc1cc(Cl)ccc1Cl 573814740 URUYSMBZPNRYKQ-LLVKDONJSA-N 287.190 3.654 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)OCc1ccc(CC#N)cc1 820505698 YTNDOEMSDRRYRV-CJNGLKHVSA-N 271.360 3.622 30 20 CHED CC1(c2ccccc2)CC(=NNc2ccccc2C(=O)O)C1 729635155 FPCGXQSYEPDEHV-UHFFFAOYSA-N 294.354 3.904 30 20 CHED COC(=O)CC[C@H](/N=C\c1ccccc1O)c1ccccc1 729936268 NITORFUEXKCJPM-UEIJICEPSA-N 297.354 3.506 30 20 CHED CCCCCC[C@H](C)CC(=O)N(C)C[C@H](C)C#N 727673678 SIOUTVVNEBYVPR-UONOGXRCSA-N 252.402 3.601 30 20 CHED C#C[C@H](NC(=O)Nc1c(CC)cccc1CC)C(C)C 821512944 IZEBKVRULKLRCR-HNNXBMFYSA-N 272.392 3.591 30 20 CHED C[C@@H](Cc1ccccc1Cl)C(=O)N(C)CC(C)(C)C#N 497354944 OXYRQKMPSXSDGD-LBPRGKRZSA-N 292.810 3.527 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H]2CC23CCSCC3)c1 823083765 GWAZJJJKEMAHSP-INIZCTEOSA-N 299.439 3.554 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)C(C)C 727706511 GTLJDKVHJCNKBQ-UHFFFAOYSA-N 290.794 3.787 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCc1cc2ccccc2o1 495213159 PWACLGDXPJIPIR-OAHLLOKOSA-N 298.386 3.725 30 20 CHED C=CCN1C(=O)/C(=C\c2cc(F)ccc2C)SC1=S 588393726 YLYBQWIUAHXBJD-XYOKQWHBSA-N 293.388 3.521 30 20 CHED COc1ccc2ccccc2c1C=NOCCSC 727465914 SZLHIOZOUSWTDX-UHFFFAOYSA-N 275.373 3.562 30 20 CHED C=CC[C@@H]1CCCN(Cc2cnc(C(C)(C)C)nc2)C1 668492789 GFFWEIPCXRESNF-CQSZACIVSA-N 273.424 3.562 30 20 CHED CC(C)(O)c1ccc(-c2csc(CC#N)c2)cc1 904771050 GURFGPKEVVSLGS-UHFFFAOYSA-N 257.358 3.709 30 20 CHED CCOc1ccc(C=NOCc2ccsc2)cc1OC 902133672 BUNJWSHARTXBIV-UHFFFAOYSA-N 291.372 3.706 30 20 CHED Cc1[nH]nc(NC(=O)CCCCCC#N)c1-c1ccccc1 588335523 FUEXSAHZGMAHJG-UHFFFAOYSA-N 296.374 3.798 30 20 CHED C=CCCCOC(=O)C1(c2ccc(F)cc2)CCC1 735526077 SWABWVWAZRUXNB-UHFFFAOYSA-N 262.324 3.757 30 20 CHED CC(=NO[C@H](C)c1nc(C2CC2)no1)c1ccc(F)cc1 902857091 XVQOBPYNJXXOBR-SNVBAGLBSA-N 289.310 3.588 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N(C)CC(C)(C)C#N)oc12 497278076 ULICWMCPTVJWLE-UHFFFAOYSA-N 298.386 3.980 30 20 CHED Fc1cc(F)c(F)c(OCC(F)(F)C(F)F)c1F 736433899 KCINKNPMCNAMJM-UHFFFAOYSA-N 280.114 3.522 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3occc3s2)c1 736012598 HNCHNPNQEJWSLY-UHFFFAOYSA-N 281.336 3.752 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(C(C)(C)C)cc1 497321154 BDIXUYGOHQXNFJ-UHFFFAOYSA-N 272.392 3.606 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 839045189 YIPPHXQFFIFEIC-ZIAGYGMSSA-N 257.333 3.543 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)C(F)(F)C1 494260363 UVNUWLHDOREYQD-VXGBXAGGSA-N 264.319 3.596 30 20 CHED Cc1c(C(=O)/C=C\c2ccccc2OCC(C)C)cnn1C 834434560 NBROPNKULGDWNZ-KTKRTIGZSA-N 298.386 3.659 30 20 CHED Cc1cccc(OC(F)F)c1NC(=O)C#CC(C)(C)C 837383818 QNGHMGOVRLIUAU-UHFFFAOYSA-N 281.302 3.584 30 20 CHED CCCCCCCNC(=O)N(C)Cc1cccs1 858109154 QUFRXLWSIQFHLP-UHFFFAOYSA-N 268.426 3.860 30 20 CHED C=CCCCOC(=O)c1ccnc(OCc2ccccc2)c1 735530167 FNXSPKTYPAKMDD-UHFFFAOYSA-N 297.354 3.784 30 20 CHED C[C@@H](CC#N)OC(=O)CCC(=O)c1ccc2ccccc2c1 733710964 OLVMKIZFRBJHTI-ZDUSSCGKSA-N 295.338 3.648 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1cnccn1 734744349 NMCDBGONULATNJ-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccc3[nH]ccc3c2)no1 904537854 MLRTZHXJHRWTMB-ZDUSSCGKSA-N 282.347 3.574 30 20 CHED COc1cccc(NN=C2C[C@H](OCC(C)C)C2(C)C)c1 737427489 MRKFSLYWAKYXKC-INIZCTEOSA-N 290.407 3.934 30 20 CHED CC(C)c1ncc(/C=C2\Cc3cccc(O)c3C2=O)s1 834444890 VUQMQZYBSSZQEK-YRNVUSSQSA-N 285.368 3.795 30 20 CHED Cc1cccc2[nH]cc(CC(=O)O[C@H]3CCC[C@H](C#N)C3)c12 839055582 YJJPYHGWUNIDKA-ZFWWWQNUSA-N 296.370 3.644 30 20 CHED COc1cccc2cc(C(=O)O[C@@H]3CCC[C@H](C#N)C3)oc12 839047130 UXGIUXVOXBLYQZ-WCQYABFASA-N 299.326 3.681 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCC[C@@H](O)c1ccccc1 831732356 HXVHFTOEXDTLJS-NVXWUHKLSA-N 289.419 3.751 30 20 CHED Cc1cccc2c1CCCN2C(=O)CCCCCC#N 588926537 NMBOWLQKMAANCM-UHFFFAOYSA-N 270.376 3.748 30 20 CHED COc1ccsc1C=NN[C@@H]1CCc2c(F)cccc21 835019252 ALLJJRKETRIADJ-CYBMUJFWSA-N 290.363 3.507 30 20 CHED C=CCCCCn1cc(Cl)cc(Br)c1=O 581607565 JHNNVIWOWGYNNX-UHFFFAOYSA-N 290.588 3.621 30 20 CHED C[C@H](C#N)CNN=C1CCC[C@H]1Cc1ccc(Cl)cc1 834965360 NRPMSILJUVFOIS-OCCSQVGLSA-N 289.810 3.788 30 20 CHED CC[C@@H](SC)C(=O)OCCCCC1(C#N)CCC1 909092937 SEFCEYUBJOKZMS-GFCCVEGCSA-N 269.410 3.535 30 20 CHED COc1c(C)cc([C@@H](C)NCC(C)(C)C#N)cc1Cl 903102367 XCOVUQUYMLJPAX-LLVKDONJSA-N 280.799 3.857 30 20 CHED CC(C)n1cncc1/C=C1\C(=O)c2ccccc2[C@H]1C 901506410 LWVVPRMVXQBKPK-VJMCZWTHSA-N 266.344 3.847 30 20 CHED COc1ccc2c(c1NC(=O)CCCCCC#N)CCC2 588977878 WKMUFFLNGBXIQR-UHFFFAOYSA-N 286.375 3.596 30 20 CHED O=C(CCC1CC1)N(O)Cc1cccc2ccccc12 901369423 CFRIFZGHTWTAKI-UHFFFAOYSA-N 269.344 3.748 30 20 CHED CC#CCCCC(=O)Nc1csc(-c2ccccc2)n1 672332463 OXCARZMMSPOHOC-UHFFFAOYSA-N 284.384 3.942 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 733748734 IGRKCLKWEISOBC-DAXSKMNVSA-N 273.313 3.861 30 20 CHED C=CCC1(CNC(=O)c2c(C)noc2C2CC2)CCCC1 836991728 XYQXAKJJADVKSH-UHFFFAOYSA-N 288.391 3.727 30 20 CHED Cc1cccc(C)c1C(=O)OCc1ccc(C#N)cc1 738711949 WNHSTYVRVVYSDI-UHFFFAOYSA-N 265.312 3.532 30 20 CHED CON=Cc1ccc(C(=O)N(C)c2cc(C)cc(C)c2)cc1 918667982 XZYMCWUFRDETNH-UHFFFAOYSA-N 296.370 3.560 30 20 CHED C#CC[C@H](OC(=O)C1=CCC(C)(C)CC1)c1ccccn1 835134558 UYAKWMPUWHJXRQ-INIZCTEOSA-N 283.371 3.826 30 20 CHED C=CCN(C(=O)CCSc1ccc(OC)cc1)C(C)C 915153524 OXSFLYBXMPWAGC-UHFFFAOYSA-N 293.432 3.600 30 20 CHED CC(C)C[C@H](C)CC(=O)O[C@@H]1CCC[C@H](C#N)C1 839051878 OVPMTKMVKIDUCX-MELADBBJSA-N 251.370 3.684 30 20 CHED C#CCSc1nnc(-c2ccccc2)n1[C@H](C)CC 749752618 SDNIKJSDEFXJPS-GFCCVEGCSA-N 271.389 3.641 30 20 CHED C=C(Cl)CN(CCOCC)[C@@H]1CCc2ccccc21 741244973 MJMIHUMDFXGMOQ-MRXNPFEDSA-N 279.811 3.765 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ncoc2-c2ccccc2)C1 839054521 VROZCOQCQRBFFU-TZMCWYRMSA-N 296.326 3.581 30 20 CHED N#C[C@H]1CC[C@@H](Sc2nnc(-c3ccccc3F)o2)C1 590711337 XBUFRQCVOYMAQT-VHSXEESVSA-N 289.335 3.660 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)c1ccco1 744015085 GCTWORWXTJQOLS-JSGCOSHPSA-N 290.322 3.808 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1ccc(F)cc1F 915915351 BBRULHXYLYSEOE-UHFFFAOYSA-N 286.285 3.677 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]3C[C@@H]32)c1 672655272 GSXOOCKYUGOGEH-CJNGLKHVSA-N 286.375 3.658 30 20 CHED CO[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C1CCCCC1 595093727 ONLUPMRDPNRJMK-MOPGFXCFSA-N 298.430 3.730 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@H]2CCCC[C@@H]2C)n1 598855297 XCGKVGCOSLNTPH-SMDDNHRTSA-N 285.391 3.725 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)CC(C1CCC1)C1CCC1 599634301 BPOAVVFDICTNSH-HNNXBMFYSA-N 276.424 3.647 30 20 CHED CCN(C(=O)c1sccc1C#N)c1ccc(Cl)cc1 748053667 XSSPEARYNNVVCQ-UHFFFAOYSA-N 290.775 3.940 30 20 CHED Cc1cccc(N=Cc2cccc(O)c2O)c1Cl 745976973 PUGLQQJLJQAQFX-UHFFFAOYSA-N 261.708 3.810 30 20 CHED C=CC[C@@H](NC(=O)/C=C/C1CCCC1)c1ccncc1 843550056 XOBXERIKLFEQDW-ROJDOSBLSA-N 270.376 3.561 30 20 CHED C[C@@H](C(=O)Oc1ccc(C#N)cc1)c1cccc(Cl)c1 741882091 VPOYUXMQSKCYQU-LLVKDONJSA-N 285.730 3.921 30 20 CHED C[C@H]1CCC[C@@H](CNc2snc(Cl)c2C#N)C1 919802336 LXLZKIKIKVZOQB-DTWKUNHWSA-N 269.801 3.906 30 20 CHED Cc1cc(-c2ccc(O[C@H]3CCOC3)cc2)ccc1CC#N 592983758 JEMCKHURGGRANN-IBGZPJMESA-N 293.366 3.896 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 675933328 BMVQAEOLROCBHU-KBPBESRZSA-N 252.361 3.974 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(F)c(F)c1 743449659 CDZJOWGGPHKFQV-UHFFFAOYSA-N 281.693 3.849 30 20 CHED Cc1cccc(NC(=O)CC2(C#N)CCCCC2)c1F 597482271 WOTLNSGMPHZJMI-UHFFFAOYSA-N 274.339 3.937 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 597077131 ZEKLNGOWUCVRGG-KURKYZTESA-N 298.430 3.700 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc(C#N)s1)C2=O 748997108 FHYYROVROAYLJS-XYOKQWHBSA-N 265.337 3.751 30 20 CHED C#CC1CCN(C(=O)c2cccc(OCC=C(C)C)c2)CC1 843706276 PMNGYYJHJIBPQO-UHFFFAOYSA-N 297.398 3.517 30 20 CHED C[C@H](COCC1CC1)Nc1ccc(C(F)(F)F)c(C#N)c1 593509190 UILJXJDJAHBMMA-SNVBAGLBSA-N 298.308 3.804 30 20 CHED CCN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)[C@@H](C)C#N 598359659 MCHWGBFWXWGWOX-MORSLUCNSA-N 292.382 3.704 30 20 CHED C=C(C)CN(CC)C(=S)Nc1cccc(OCC)c1 742975519 JIYCGIILNNWKQO-UHFFFAOYSA-N 278.421 3.680 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 596785340 ULTPVRYBEJGWQR-GFCCVEGCSA-N 287.338 3.517 30 20 CHED C[C@@H](NCC1(C#N)CCCCC1)c1ccc2nc(O)oc2c1 595092044 VMLDFNVAKYYQIP-GFCCVEGCSA-N 299.374 3.658 30 20 CHED C=CCN(C(=O)/C=C\Sc1ccccc1)C(C)C 915153576 RMLHKIFADXVSMU-BENRWUELSA-N 261.390 3.715 30 20 CHED C=CCNc1nc(C(=O)OCCC(C)(C)CC)cs1 744550829 CXYCNWFKTQCRLL-UHFFFAOYSA-N 282.409 3.724 30 20 CHED Cc1cccc([C@H](NCC2(C#N)CCC2)C(C)C)c1 599629748 LTJZQEQSQHWABK-MRXNPFEDSA-N 256.393 3.976 30 20 CHED Cc1cccc(F)c1CNc1c(C#N)nnc2ccccc12 742422347 WHHNOJHFJSKPJS-UHFFFAOYSA-N 292.317 3.561 30 20 CHED CC(C)[C@@H](CC(=O)N(C1CC1)[C@H](C)C#N)c1ccccc1 598130741 UXZWUKVLIHWQDW-RHSMWYFYSA-N 284.403 3.719 30 20 CHED N#Cc1c(F)cccc1SCc1cc2n(n1)CCCC2 594897969 DLBJQNKFKLFHOA-UHFFFAOYSA-N 287.363 3.522 30 20 CHED CC(C)[C@@H](O)Cc1ccccc1-c1ccc(F)cc1C#N 596635675 IZOTWIATDYWTIH-SFHVURJKSA-N 283.346 3.924 30 20 CHED C=C[C@H](C)OC(=O)c1csc(C2CCCCC2)n1 842340935 VNUOSDFBQPLBGG-JTQLQIEISA-N 265.378 3.922 30 20 CHED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CC[C@@H](C#N)C1 590156320 DLPWVGRIRBGUMI-XGXHKWSGSA-N 298.430 3.778 30 20 CHED CC[C@H](CNc1ccc(F)cc1OCC#N)CC(F)F 849315575 ZSXSQDOJGUBASZ-JTQLQIEISA-N 286.297 3.821 30 20 CHED C[C@@H](NC(=O)/C=C\c1ccsc1)c1cccc(C#N)c1 743775930 PYCWIRNUDMVRTQ-FOQNGQEVSA-N 282.368 3.510 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c(C)nc2sccn12 743449913 CKWCZABVTARAJN-GFCCVEGCSA-N 292.452 3.987 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@@H](CC#N)C2)c1 595501548 MIUIHMSJUGDCFB-HOTGVXAUSA-N 299.418 3.700 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/C(=O)c2ccccc2C1(C)C 849246206 PQLWMQYOXYMSHG-YBEGLDIGSA-N 292.382 3.855 30 20 CHED CC(C)CCN(CCC#N)c1nc2cccc(F)c2o1 599057786 BRFHPBUTNIAPNP-UHFFFAOYSA-N 275.327 3.733 30 20 CHED CCN(C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21)[C@H](C)C#N 598361367 HMWGLPQXKFIBEO-KFWWJZLASA-N 284.403 3.737 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2Cl)C1 596908437 MTJRCQCUXHUDAW-SNVBAGLBSA-N 295.745 3.637 30 20 CHED CCC(CC)(CC)NC(=O)/C=C\c1ccccc1C#N 741616598 GGTPXGGSWJFBRW-QXMHVHEDSA-N 270.376 3.656 30 20 CHED C[C@H]1Cc2cc(CN[C@H](C)c3cccc(C#N)c3)ccc2O1 921802628 ANUIHALDIQLDJA-UONOGXRCSA-N 292.382 3.732 30 20 CHED CC[C@@H](CC(=O)[C@@H](C#N)c1nc2c(C)ccnc2[nH]1)C(C)C 750731088 UKMCENMAMKMCBC-QWHCGFSZSA-N 298.390 3.515 30 20 CHED CCCCCCCCNC(=O)[C@@H](C)c1c(C)noc1C 754854059 LQWQQHLWRWVBLD-LBPRGKRZSA-N 280.412 3.872 30 20 CHED Cc1ccsc1/C=C\C(=O)c1cc(F)cc(F)c1O 757476754 RZMVTAKGRIRCKM-IHWYPQMZSA-N 280.295 3.936 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCC23CCC3)c(F)c1 853396260 CDPFNMGJVKVULS-UHFFFAOYSA-N 277.299 3.856 30 20 CHED Cc1cc(F)ccc1NN=Cc1c[nH]c2ccc(C#N)cc12 750938037 AEACUYHCCXNLFS-UHFFFAOYSA-N 292.317 3.933 30 20 CHED CCOC1CCC(=NN[C@@H]2CCCCC2(C)C)CC1 853341021 MVGREUBNJBVILE-YSSOQSIOSA-N 266.429 3.880 30 20 CHED CC1(C)C(=NNc2ccc(C(F)(F)F)nn2)[C@H]2CCC[C@H]21 853324481 HWHRMIQRDYTKBD-DTWKUNHWSA-N 298.312 3.719 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](CC)c1ccc(Br)cc1 859999241 MHAJKTODQFZIEE-GWCFXTLKSA-N 296.208 3.633 30 20 CHED C#CCCCCNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 758631856 QDBSYOQJOONOFF-CABCVRRESA-N 263.425 3.759 30 20 CHED C=CC(C)(C)CCOC(=O)c1ncccc1C(F)(F)F 851299688 VJLVMBGRCDDVOY-UHFFFAOYSA-N 287.281 3.860 30 20 CHED C=CCCONC(=O)CCC[C@@H](C)c1cccc(OC)c1 856035162 XCFPGNJAFULQOX-CQSZACIVSA-N 291.391 3.593 30 20 CHED Cc1cccc([C@H](NCCCCC#N)c2ccccn2)c1 924942321 NMXACVQLPZOBCN-SFHVURJKSA-N 279.387 3.763 30 20 CHED N#Cc1ccc(/C=C2/Cc3c(F)cc(F)cc3C2=O)c(F)c1 751537832 ZYEXLWOKWDQOQA-WCIBSUBMSA-N 299.251 3.798 30 20 CHED CCCNC(=O)c1cccc(N[C@@H](C)CC(C)(C)C#N)c1 926039485 FMYDOTRJICWDPD-ZDUSSCGKSA-N 287.407 3.567 30 20 CHED Cc1ccccc1C(C)(C)C/N=C\c1cccc(O)c1O 750949517 FZALLYNIDOHNFU-ODLFYWEKSA-N 283.371 3.803 30 20 CHED Cc1ccc(O)c([C@H](C)NCc2cc(C#N)ccc2F)c1 756731600 HHTMHRKXBFWXMU-LBPRGKRZSA-N 284.334 3.562 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCc2ccc(O)cc21 855894244 JVTDOOALMHIJJO-MRXNPFEDSA-N 275.392 3.856 30 20 CHED C=C[C@H](C)NC(=S)Nc1cccc(Cl)c1C 756798749 QWDRYBPVMRKBBA-QMMMGPOBSA-N 254.786 3.509 30 20 CHED C#Cc1cccnc1NCc1ccc(OC(C)(C)C)cc1 853234252 SXMZLBFHTDHPBQ-UHFFFAOYSA-N 280.371 3.852 30 20 CHED CC#CCOC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 753561734 KTPCXFKSRYBVCI-KGLIPLIRSA-N 256.345 3.542 30 20 CHED C#CC[C@@H](NC(=O)/C=C(/C)C(C)(C)C)c1ccccc1 757594339 BQTLAWIVVFZMIC-OMACXJQVSA-N 269.388 3.860 30 20 CHED CC1(C)CCC[C@@H](C(=O)OCc2ccc(C#N)cc2)C1 756267901 FZIQKCGQSUIYCC-OAHLLOKOSA-N 271.360 3.818 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](CC)OC2CCCCC2)c1 760502500 KUMCDGMCBVCNPW-GOSISDBHSA-N 299.414 3.759 30 20 CHED CC1(COC(=O)c2cc3ccccc3n2CC#N)CCC1 764114316 FKWKXLZLFIJYDS-UHFFFAOYSA-N 282.343 3.512 30 20 CHED Cc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2C#N)cc1F 864000328 RMSZAFPEDZSNBO-UHFFFAOYSA-N 299.305 3.835 30 20 CHED CC#CC(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 764073879 RHSRQLLIERRXEA-LJQANCHMSA-N 289.334 3.662 30 20 CHED C#CCCCCc1nc(-c2ccnc(O[C@@H](C)CC)c2)no1 762330703 AEHSNFPGXFWBFU-ZDUSSCGKSA-N 299.374 3.655 30 20 CHED COc1cccc(C=NNc2c(C)cccc2F)c1OC 769840415 KGCMVJHSUVBECN-UHFFFAOYSA-N 288.322 3.597 30 20 CHED CCn1cc(/C=C\C(=O)c2cccc(C(C)C)c2)cn1 863195555 DPUFTUFYWMPMHL-HJWRWDBZSA-N 268.360 3.923 30 20 CHED C#CCOc1ccc([C@@H](C)NCCc2ccccc2)cc1 764544540 KTIMFRJUDGCZGA-MRXNPFEDSA-N 279.383 3.592 30 20 CHED CC(=NNC(=S)Nc1ccccc1C)c1occc1C 767749819 YHJBGBHEFKQGBM-UHFFFAOYSA-N 287.388 3.607 30 20 CHED N#C[C@@H](NC(=O)C(F)=C1CCCC1)c1ccc(Cl)cc1 763042712 MXLJPPQCBDESFU-CYBMUJFWSA-N 292.741 3.818 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)c(O)c1 770572141 MHHUMGUMQCYJPY-DAXSKMNVSA-N 281.286 3.608 30 20 CHED Cc1cc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1 774595240 AUDIAFVDGIJPKS-GRDNDAEWSA-N 271.408 3.552 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 771808394 IXJIOOBXFXFZIX-HUUCEWRRSA-N 269.429 3.667 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCC(=O)CC1 778566621 NCZMWDBOYVDIND-HNNXBMFYSA-N 281.440 3.955 30 20 CHED N#Cc1ccc2nc(NCCNc3ccccc3)ccc2c1 771664942 WFUNBPPRFUWNER-UHFFFAOYSA-N 288.354 3.630 30 20 CHED C=CCCCCCCCNC(=O)c1cnc(C2CC2)[nH]1 1117677553 QONYUZYRCBOPSU-UHFFFAOYSA-N 275.396 3.544 30 20 CHED FC(F)(F)CCON=Cc1cnc(C2CCC2)s1 777458786 DERXKVQJGYASPF-UHFFFAOYSA-N 278.299 3.714 30 20 CHED C#CCOc1ccccc1NCc1cccc(OCC=C)c1 775362901 MBQYWBFASNPKGS-UHFFFAOYSA-N 293.366 3.876 30 20 CHED C#CC[C@H](N[C@H]1C[C@@H](OCC)C1(C)C)c1ccccc1 776172027 REDSNIPCAGVEFG-YESZJQIVSA-N 271.404 3.544 30 20 CHED C=CC[C@H]1N(C(=O)N[C@@H](C)c2ccc[nH]2)CCCC1(C)C 770768191 REOSHMYUTKKVJD-DZGCQCFKSA-N 289.423 3.852 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CCOC[C@H]1C#N 775488005 LJTUWEAGOLYGKX-JKSUJKDBSA-N 294.439 3.514 30 20 CHED CCc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1C 770107216 RYLYQIUAEATEEK-UHFFFAOYSA-N 293.370 3.751 30 20 CHED C#CCCCCCC(=O)NC1(c2cccc(F)c2)CC1 779957411 DTOMFYYYLALVIV-UHFFFAOYSA-N 273.351 3.515 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(C#N)c(F)cc1F 880714107 HRJNNMZEIZURDW-KOLCDFICSA-N 293.317 3.631 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)CCCCC(C)(C)C 1123234323 UEAKVMQQPKKCHS-ZDUSSCGKSA-N 275.396 3.686 30 20 CHED O=C(/C=C\c1cc(F)cc(Cl)c1)c1cc(O)ccc1O 776720231 JLEVZRQXLKQVMH-IWQZZHSRSA-N 292.693 3.786 30 20 CHED C=CC(C)(C)CC(=O)OCc1cc2ccccc2nc1O 884650152 ACUNYXUZSBAPCP-UHFFFAOYSA-N 285.343 3.586 30 20 CHED CC(C)CON=Cc1c(Cl)ccc2cccnc12 781127647 KHCMMSXFGPXVIK-UHFFFAOYSA-N 262.740 3.895 30 20 CHED C=CCCN(C)Cn1ccn(-c2cccc(C)c2)c1=S 786103023 ZOGNFDYORNIPMK-UHFFFAOYSA-N 287.432 3.782 30 20 CHED CC(C)CN(C(=O)c1ccc(C#N)cc1F)C1CCCC1 1120594645 QRGGHYRHXGMMDQ-UHFFFAOYSA-N 288.366 3.738 30 20 CHED CCOc1c(Cl)cccc1C=NNc1ccc(F)cn1 782229086 KLFFZZXLRHPPHK-UHFFFAOYSA-N 293.729 3.719 30 20 CHED C[C@@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 1126637775 OFUCPKOVQWTYIJ-QCPWZWHMSA-N 283.371 3.989 30 20 CHED C#CCCCCCC(=O)Nc1cccc(Cl)c1O 780505088 DFLHGZLNOJDDKC-UHFFFAOYSA-N 265.740 3.568 30 20 CHED CCOCCC=NNc1cc(C)c2ccc(C)c(C)c2n1 788423315 WZIJCSOSWNQEDZ-UHFFFAOYSA-N 285.391 3.984 30 20 CHED CCCCCCCC[C@H](N)c1nc(C2CCOCC2)no1 899993770 ONVADUIDFIHIBI-AWEZNQCLSA-N 295.427 3.714 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](F)C(C)C)c1 784088175 ACYMJOTYDUJSAH-AWEZNQCLSA-N 265.328 3.574 30 20 CHED Cc1cc(COC(=O)/C=C\c2cccc(F)c2)ccc1C#N 782030935 LIYHBICBPUGVGP-VURMDHGXSA-N 295.313 3.762 30 20 CHED CC1(C)CC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 781771270 CIVWVTFTFSEVAT-NEPJUHHUSA-N 282.343 3.830 30 20 CHED C[C@@H](CC#N)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786418057 XSTNONLTDWEXHF-RYUDHWBXSA-N 270.332 3.507 30 20 CHED COCC(=NNc1ccc(F)cc1C)C1CCCC1 780236412 KGSUJIXRHACRHG-UHFFFAOYSA-N 264.344 3.739 30 20 CHED CCc1onc(C)c1/C=C1/CCc2cc(C#N)ccc2C1=O 899360709 ODDJINXPDVLPNO-ZROIWOOFSA-N 292.338 3.630 30 20 CHED Cn1nccc1[C@@H]1CCCC(=NNCC2(C)CCCC2)C1 793085048 VZKWGXKNIOLDQO-CQSZACIVSA-N 288.439 3.604 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C)cc(C#N)c2)C1 1206296596 CLPSMTZWFSVOLA-UKRRQHHQSA-N 285.391 3.957 30 20 CHED C=CCCOC(=O)c1sc2ccc(C#N)cc2c1C 796613949 GETMGKIUSZRKLE-UHFFFAOYSA-N 271.341 3.814 30 20 CHED N#CC1(COC(=O)c2ccc3c(c2)CCC=C3)CCCC1 793188663 CEUIIGJALGKZGJ-UHFFFAOYSA-N 281.355 3.887 30 20 CHED CCCC1CCN(CCc2ccc(C#N)cc2)CC1 1208925987 CEEVSFQSPASVFB-UHFFFAOYSA-N 256.393 3.613 30 20 CHED CCCCCCCCOC(=O)C[C@H]1CCC(=O)[C@H]1C 796224311 NAMYUSJSJZLPHM-UONOGXRCSA-N 268.397 3.895 30 20 CHED N#Cc1cc(C(=O)OCc2ccccc2Cl)ccc1F 790092019 XIOJGHWYMKVOQF-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CC[C@H](C)CON=C(C)c1ccc(F)cc1[N+](=O)[O-] 793160983 YQTUVSCJVCBEFR-VIFPVBQESA-N 268.288 3.521 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1ncccc1F 794980451 LGRULPQZENSMRG-LLVKDONJSA-N 269.323 3.853 30 20 CHED C#C[C@@H](CCC)NC(=O)C1(c2cccs2)CCCCC1 791740561 IUPZVKMACIZMPD-AWEZNQCLSA-N 289.444 3.868 30 20 CHED CCc1ccc(N(CC)C(=O)c2ccc(F)c(C#N)c2)cc1 790223856 LVJORMTWMOXVSZ-UHFFFAOYSA-N 296.345 3.926 30 20 CHED Cc1csc(NC(=O)NC[C@@H]2CCC[C@H](C)C2)c1C#N 1204889148 OGVFNIVFYXQUQY-CMPLNLGQSA-N 291.420 3.876 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1=C(CC)OCCC1 790528105 FQMLPNRGZQODKK-UHFFFAOYSA-N 299.414 3.718 30 20 CHED CC[C@H](C)CON=Cc1ccc2c(c1)COC(C)(C)O2 793144716 FVEXAJSAPOFDSF-LBPRGKRZSA-N 277.364 3.728 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)Cc1ccc(C)cc1 1205347859 RZQWBFVFZHFEHH-AWEZNQCLSA-N 280.371 3.918 30 20 CHED COc1ccc(C=NNc2cccc(F)n2)c2ccccc12 795006918 TXGFBOKKDAWGNA-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C/C(=C/Cl)CSc1c(C#N)nnc2ccccc12 797830795 ZYUAPKZYZQAVBO-TWGQIWQCSA-N 275.764 3.736 30 20 CHED N#Cc1cccc(CN(CC[C@H]2C[C@H]3CC[C@H]2C3)C2CC2)n1 1308624572 ONZHAVVSPKMXCY-JYJNAYRXSA-N 295.430 3.744 30 20 CHED N#Cc1cc(F)ccc1NC(=O)Cc1cccc(Cl)c1 135156662 NOBZUMHHGWKGSJ-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CO[C@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C12CCC2 1163459820 RKTOZIHXKQXRFX-CABCVRRESA-N 299.418 3.620 30 20 CHED CC[C@H]1CCCC1=NNc1ccc(C(C)(C)C)nn1 1319266036 GINPOKNAKXCVMO-NSHDSACASA-N 260.385 3.752 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@@H](C3CCCCC3)C2)n1 1163796273 IAJWELYXOOIOIG-OAHLLOKOSA-N 298.434 3.707 30 20 CHED C[C@H](OCCCNc1cccc(CC#N)n1)c1ccccc1 1319279057 UNDYXGLEPCKVCJ-HNNXBMFYSA-N 295.386 3.727 30 20 CHED N#Cc1c(CN2CC[C@@H]3CCCC[C@H]3C2)cn2ccccc12 1317858937 NJUMROXOFAUBNV-HOTGVXAUSA-N 293.414 3.823 30 20 CHED CN(C(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1 61955044 TZKFFAKFBRCBAP-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CC(C)C[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 1168146823 STTIVKQXBHDUOY-CQSZACIVSA-N 274.383 3.955 30 20 CHED Fc1ccc(CNN=Cc2cc(Cl)ccc2F)cc1 1319457840 RTUOUOIIHBDZOS-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C#CC[C@@H](NC(=O)N(C)CCC(C)(C)C)c1ccccc1 1328134828 NYYNZDHSOKCZCH-MRXNPFEDSA-N 286.419 3.829 30 20 CHED CC(C)(C)ON=C(C[C@H]1CCCO1)c1ccc(F)cc1 1323948208 GJLKPTVKTPXRBY-CQSZACIVSA-N 279.355 3.914 30 20 CHED CCC(=NNCC1CCOCC1)c1cccc(Cl)c1F 1323927923 YFDVPLDZWQJGCB-UHFFFAOYSA-N 298.789 3.609 30 20 CHED C[C@@H](SCCOc1ccc(C#N)cc1)c1cccnc1 1325300650 JTWFITFPDJTTJJ-CYBMUJFWSA-N 284.384 3.826 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1nc2ccccc2n1C 281543371 ITLXEAPPWSAKED-OLZOCXBDSA-N 257.381 3.579 30 20 CHED CC1(C)C[C@H](CNc2ccc(C#N)c(Cl)c2)CCO1 413340896 SJSXCXMIJKSTQF-LLVKDONJSA-N 278.783 3.829 30 20 CHED C=CC[C@H]1N(C(=O)c2cnc(C(C)C)[nH]2)CCCC1(C)C 1324673148 SNJSMAOBGXWNPQ-CQSZACIVSA-N 289.423 3.740 30 20 CHED CCc1ccccc1NCc1ccc(C#N)c(F)c1 190317575 SVNNZXLNNBRXIB-UHFFFAOYSA-N 254.308 3.872 30 20 CHED Cc1cc(N[C@@H](C)c2c(F)cccc2F)ncc1C#N 1187669388 FQCYXHQDVOBJJB-JTQLQIEISA-N 273.286 3.713 30 20 CHED C#CCN(C(=O)[C@H](C)OC1CCCCC1)C1CCCCC1 1251853421 KOSJOMRKFVODBC-HNNXBMFYSA-N 291.435 3.519 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H](C)C1(F)F 599514836 LGAXSAIDAHGUDK-QWRGUYRKSA-N 298.764 3.935 30 20 CHED CC(C)[C@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 694341381 VIKBSMUUSBALQC-VIFPVBQESA-N 269.801 3.541 30 20 CHED C=CCN(Cc1cc(Cl)nc(Cl)c1)C1CC1 772383426 WJXWPIGOJQIUAF-UHFFFAOYSA-N 257.164 3.539 30 20 CHED Cc1cc(CN2C[C@@H](C(C)C)[C@H]2C(C)C)ccc1C#N 1181753548 PYDUYGKLHQHQJW-ZWKOTPCHSA-N 270.420 3.979 30 20 CHED C=C(C)CCC(=O)N1Cc2ccccc2C(C)(C)C1 1262616630 VCOYYFWFKZGWNR-UHFFFAOYSA-N 257.377 3.663 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1ccc(C#N)cc1 1263295825 LGNIPVOKZCZKBF-OAHLLOKOSA-N 263.312 3.520 30 20 CHED C[C@@H](CCC(=O)OCC#Cc1ccccn1)c1ccccc1 1345020593 QBNTXYIJBUEUDA-INIZCTEOSA-N 293.366 3.560 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1ccccc1C#N 1261591600 LOMPKMOFMLSWBC-HNNXBMFYSA-N 263.312 3.520 30 20 CHED CC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1263619952 HXWVDTAVLHAWLH-NXEZZACHSA-N 289.766 3.829 30 20 CHED N#CC1(COC(=O)c2ccc(F)c3cccnc23)CCCC1 1343209619 RTPAYUICIOZUKA-UHFFFAOYSA-N 298.317 3.615 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C(C)(C)F)n1CC=C 1355977708 WWMRGRPDLXKTPS-ZDUSSCGKSA-N 292.402 3.604 30 20 CHED CC[C@H](CC(=O)O[C@@H](CC#N)c1ccco1)C(C)C 1350311421 KTOAPZJGGVXADL-OCCSQVGLSA-N 263.337 3.850 30 20 CHED C=CCn1c(-c2ccco2)nnc1N(C)[C@H](C)c1ccco1 1350518243 JXKRMDOLWPQKSX-GFCCVEGCSA-N 298.346 3.515 30 20 CHED CCCC(C)(C)C(=O)Nc1ccc(C#N)c(Cl)c1 1354787405 QYOWGFLVERQMKE-UHFFFAOYSA-N 264.756 3.976 30 20 CHED N#CC[C@@H](OC(=O)[C@@H]1CCCC(F)(F)C1)c1ccco1 1350311661 NMLZLBUIGLYJHB-ZYHUDNBSSA-N 283.274 3.603 30 20 CHED Cc1ccc(F)cc1[C@@H](C)OC(=O)c1ccc(C#N)s1 1458491649 NJDZJFHFSODNGJ-SNVBAGLBSA-N 289.331 3.985 30 20 CHED CN(Cc1ccc(Cl)cc1)c1nc(C#N)c(Cl)s1 1458053996 NKJWGDVIHCFHRH-UHFFFAOYSA-N 298.198 3.958 30 20 CHED Cc1noc(C(C)C)c1C(=O)O[C@H](CC#N)c1ccco1 1526991584 DLSAKYQFMDRQOQ-GFCCVEGCSA-N 288.303 3.511 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)c1sccc1C(C)C 1520037641 ZMDBWRNTIZKRPZ-LBPRGKRZSA-N 287.388 3.578 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)c1ccc(Cl)cc1 1460720341 QLENECNUGWRGJW-VIFPVBQESA-N 290.775 3.764 30 20 CHED C=C(CC)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl 1548658004 XNNRJZIBWWCTNT-JTQLQIEISA-N 286.158 3.509 30 20 CHED C[C@@H]1CCCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1472641602 XELBJRWYXQGWMV-LLVKDONJSA-N 285.778 3.996 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc3occc3c2)c1 1624341366 VRUXNBXNLXAXGU-UHFFFAOYSA-N 276.295 3.751 30 20 CHED N#Cc1ccc(Cn2nc(-c3ccccc3)nc2Cl)cc1 1559469600 PSSBIMASPHGMJQ-UHFFFAOYSA-N 294.745 3.518 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CN=c1cc[nH]c(C#N)c1 1559089422 LREQVKVVOKMNDV-XJKSGUPXSA-N 271.408 3.640 30 20 CHED Cc1cc(NC2(Cc3ccc(F)cc3)CC2)ncc1C#N 1642689825 NZAGSHYSFLKWFY-UHFFFAOYSA-N 281.334 3.588 30 20 CHED Cc1cc(N2CCC[C@@H]2/C=C\c2ccccc2)ncc1C#N 1643252051 ZBIXYLWSAXQEEQ-HJCTWCACSA-N 289.382 3.944 30 20 CHED CCCCC1CCC(CN=c2cc[nH]cc2C#N)CC1 1655024496 IAQZOQAIQQXTNN-UHFFFAOYSA-N 271.408 3.784 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C)s2)c1OC 8080259 LMCSUBLETBAIIN-CMDGGOBGSA-N 288.368 3.970 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](C#N)C2)CC1 1680353311 ZWKUYIAVWXBVIZ-ARFHVFGLSA-N 291.439 3.536 30 20 CHED C[C@H](N[C@H]1CCCc2occc21)c1ccc(C#N)cc1 20204239 YUPJCGFHVQHCGP-LRDDRELGSA-N 266.344 3.879 30 20 CHED C[C@H](C=NNc1ccc(CC(=O)O)cc1)c1ccccc1 1776083585 OYTQUVDAKGLXNP-CYBMUJFWSA-N 282.343 3.515 30 20 CHED CCCCCC[C@@H]1CCCC1=NN[C@@H](CC)C(=O)O 1776065869 WNZWAWPVVDSTMS-OLZOCXBDSA-N 268.401 3.566 30 20 CHED CCCC(Cc1ccccc1)=NNc1ccc(C(=O)O)nc1 1776069448 KJTASQWPASUTSV-UHFFFAOYSA-N 297.358 3.591 30 20 CHED O=C(O)Cc1ccc(NN=Cc2cccc(C3CC3)c2)cc1 1776085382 IWAHFFIDJBPGNF-UHFFFAOYSA-N 294.354 3.637 30 20 CHED C/N=C(\O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 11193902 CUVLKLJDIRJNKK-UHFFFAOYSA-N 299.157 3.815 30 20 CHED CC/C(=C/C(=O)N[C@](C)(C#N)CC)c1ccc(C)cc1 162709610 OFDMUBLLESOBTP-IFCKCIONSA-N 270.376 3.597 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(C(C)=O)c(C)c1 158282588 XHOYTQHGUIBXIH-UHFFFAOYSA-N 294.354 3.690 30 20 CHED CC[C@@H](C)Oc1cc(C)ccc1CNCc1ccc(C#N)o1 153302784 BGLINHJZZATZOZ-CQSZACIVSA-N 298.386 3.927 30 20 CHED CC(C)NC(=O)c1ccc(NCCCC(C)(C)C#N)cc1 153446806 JVXQEXLKFXDLQG-UHFFFAOYSA-N 287.407 3.567 30 20 CHED C=CCCOCCN[C@@H](C)c1cccc(Br)c1 155637100 APROSNATZFEYSX-LBPRGKRZSA-N 298.224 3.692 30 20 CHED CC(C)(C#N)CCCCOc1c(F)cccc1[N+](=O)[O-] 232518565 QLBOFRUHHFWONC-UHFFFAOYSA-N 280.299 3.833 30 20 CHED COc1cc(C#N)ccc1NCc1cc(C)ccc1C 127968038 PSGBIAYSKIMPCI-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CCC(CC)(CC)NC(=O)c1c(F)cc(C#N)cc1F 153190855 LTLBQHMEWSEYMJ-UHFFFAOYSA-N 280.318 3.535 30 20 CHED Cc1cc(C#N)ccc1Oc1cccc(F)c1C#N 37733070 QMBHIYFMYPDMQA-UHFFFAOYSA-N 252.248 3.670 30 20 CHED N#Cc1cc2ccccc2nc1NC(C1CC1)C1CC1 71385864 GCIUYKFTCJNOBT-UHFFFAOYSA-N 263.344 3.707 30 20 CHED C=CCCNc1cc(Br)c(C)cc1OC 309076955 LQDROQZAMHJREN-UHFFFAOYSA-N 270.170 3.754 30 20 CHED N#CCCCNC(=O)c1sc2ccccc2c1Cl 701168761 FPDWNWJQCNDDOD-UHFFFAOYSA-N 278.764 3.588 30 20 CHED N#Cc1ccnc(NCCc2cccc(Cl)c2)c1Cl 429209899 WUEXIPAFLZZPME-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C=CCC1(NCc2nc3ccccc3n2C)CCCC1 657702655 MSQAJYQUANQIAH-UHFFFAOYSA-N 269.392 3.552 30 20 CHED Cc1nc(N2CCCC3(CCC3)C2)c(Cl)cc1C#N 360069062 CETNPIVDFCIQGM-UHFFFAOYSA-N 275.783 3.686 30 20 CHED CO[C@H](COc1cc(Cl)cc(C#N)c1)c1ccccc1 379109535 JGAYIUDEVDWVJP-MRXNPFEDSA-N 287.746 3.978 30 20 CHED CN(CC1=CCSC1)c1ccc(C#N)c(C(F)(F)F)c1 596552328 BLGCEJAESOSPHM-UHFFFAOYSA-N 298.333 3.686 30 20 CHED C[C@@H](COCc1ccccc1)COc1ccc(C#N)c(F)c1 719151626 FQYXURAKYFBJLW-AWEZNQCLSA-N 299.345 3.929 30 20 CHED N#Cc1c(Cl)cccc1NCc1nc2c(s1)CCC2 719535685 ABGAYDHBINXWPN-UHFFFAOYSA-N 289.791 3.769 30 20 CHED C=CCC(C)(C)CNc1ccc([N+](=O)[O-])c(OC)c1 389030241 JHUOBPTZHPRPKE-UHFFFAOYSA-N 264.325 3.618 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2[nH]c(C)c(C)c2c1 24458150 LZHBFBDSBUTLJY-UHFFFAOYSA-N 270.376 3.823 30 20 CHED C[C@H](CCc1ccco1)Nc1cccc(OCC#N)c1 37069732 WNVAHMRTORUJRW-CYBMUJFWSA-N 270.332 3.615 30 20 CHED N#Cc1cccc(OCCSc2nc3ccccc3o2)c1 37143650 RCELRCJYIYNCSF-UHFFFAOYSA-N 296.351 3.871 30 20 CHED Cc1cccc(CCC(=O)[C@H](C#N)c2nc(C)cs2)c1 41517719 QCLIQRPCLKQUFO-AWEZNQCLSA-N 284.384 3.569 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 42373860 FEPVLBIXXYFELB-IUODEOHRSA-N 260.356 3.708 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccoc1C 45404229 MJKDMMSYTWTLSD-UHFFFAOYSA-N 282.343 3.512 30 20 CHED Cc1cc(O)c(CN(C)Cc2ccc(C#N)cc2)cc1C 46477129 HDFUHMRKSLXNBN-UHFFFAOYSA-N 280.371 3.513 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2cccc(CC#N)c2)cc1 49653469 XXNDUCJXNMWCEE-CQSZACIVSA-N 278.355 3.552 30 20 CHED Cc1ccc(C#N)cc1N[C@H](C)c1cccc(C#N)c1 50429984 RIRLEWBQFBPEQM-CYBMUJFWSA-N 261.328 3.911 30 20 CHED Cc1ccccc1CCC(=O)Nc1ccc(F)c(C#N)c1 51967923 QBHNCLUFUQKDRS-UHFFFAOYSA-N 282.318 3.577 30 20 CHED CC(C)(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 55424832 MCBLSBLWUFKKPP-UHFFFAOYSA-N 297.320 3.609 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccccc1Cl 57158097 DXJCVCLMHWMWRY-UHFFFAOYSA-N 265.784 3.697 30 20 CHED CC[C@H](CNCc1cccc(C#N)c1)c1ccccc1 57623345 UANLDBGWSDYQQC-QGZVFWFLSA-N 264.372 3.842 30 20 CHED CCN(C(=O)CCc1ccco1)[C@H](C)c1ccc(C#N)cc1 58712859 MQVMFPAAZYDDDP-CQSZACIVSA-N 296.370 3.694 30 20 CHED C[C@@H](CCNc1ccnc(C#N)c1)c1ccccc1 61910864 NAWAIHTXEJPCJX-ZDUSSCGKSA-N 251.333 3.559 30 20 CHED CC[C@@H](OC)C(=O)Nc1cccc(C#Cc2cccs2)c1 65722593 BBCWYKQZAVULSS-MRXNPFEDSA-N 299.395 3.511 30 20 CHED N#Cc1cccnc1N1CCC[C@H](c2ccccc2)CC1 66818511 IMWRLJYEMOAKPN-INIZCTEOSA-N 277.371 3.727 30 20 CHED C=CCNc1nc(-c2ccc(OC)c(OC)c2)c(C)s1 69625650 BNXGBFZLAQOPOK-UHFFFAOYSA-N 290.388 3.734 30 20 CHED CCC(CC)(CCO)CNc1ccc(C#N)c(Cl)c1 75065570 RUKXBZMUPMKULY-UHFFFAOYSA-N 280.799 3.812 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(F)c(C#N)c2)C1 77500111 SSZKEJXWMOIIOY-SMDDNHRTSA-N 289.354 3.740 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1OCC1CC1 77728050 CUBSBTLSHCIIRQ-LBPRGKRZSA-N 274.364 3.562 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(C#N)c2)n1 80456374 GGKOUAGWOVDRBZ-ZDUSSCGKSA-N 295.367 3.628 30 20 CHED CCN(C(=O)C=C1CCC1)[C@H](C)c1ccc(C#N)cc1 87120343 NLPCYYWGVFEQNE-CYBMUJFWSA-N 268.360 3.578 30 20 CHED CCO[C@@H]1C[C@@H](Nc2ccc(CC#N)cc2)C12CCC2 87709853 DIYHTRSUGBTBEU-HZPDHXFCSA-N 270.376 3.512 30 20 CHED N#Cc1ccc(CNc2c(F)cc(F)cc2F)cc1 88719628 ZXBBNWWNZSNYSK-UHFFFAOYSA-N 262.234 3.588 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2(Cc3ccccc3)CC2)n1 92693659 BBAXAUVWGQFWSA-AWEZNQCLSA-N 296.395 3.651 30 20 CHED CSCC[C@H](C)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 93558701 VFYMYJFNUSRJDG-KBPBESRZSA-N 292.448 3.551 30 20 CHED C[C@H](Nc1cnccc1C#N)c1cccc(OC(F)F)c1 94136587 YNAADWYUDGRMBT-JTQLQIEISA-N 289.285 3.728 30 20 CHED C=CCOc1cccc(NC(=O)N(C)CCCC)c1 98029811 XBKDQRQZTJBGKS-UHFFFAOYSA-N 262.353 3.515 30 20 CHED C=CC1CCN(C(=O)CCC(=O)c2cc(C)ccc2C)CC1 110968975 LTZABMQCFHSSLG-UHFFFAOYSA-N 299.414 3.691 30 20 CHED C=CC1CCN(c2nc(-c3ccncc3)nc(C)c2C)CC1 113247662 PCOBZYXZPMQYON-UHFFFAOYSA-N 294.402 3.558 30 20 CHED C=C(C)CNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 119652321 CBLIGOCENZPQFM-HNNXBMFYSA-N 295.810 3.564 30 20 CHED C#CCCCCC(=O)NCCCCCc1ccccc1 119793284 GACGZYSOFULKOQ-UHFFFAOYSA-N 271.404 3.709 30 20 CHED C=CCC[C@@H](NC[C@@H](OC)c1ccccc1)C1CC1 120403306 DRDXKRVKLRTTED-IAGOWNOFSA-N 259.393 3.709 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(N(C)C)c(C)c1 123155297 SMXYNCAFCKGCHQ-UHFFFAOYSA-N 272.392 3.768 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccc(Cl)cc1Cl 125013554 ISHCAWYKXKWTTG-SECBINFHSA-N 289.158 3.880 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)c1cccc(C#N)c1 130236472 XHYMFEVQLYIRDQ-ZWKOTPCHSA-N 290.366 3.633 30 20 CHED Cc1ccccc1[C@@H](C)Sc1nc(N)c(C#N)cc1C#N 151024930 DHOOAYONERQDOM-LLVKDONJSA-N 294.383 3.569 30 20 CHED Cc1ccc(C(C)C)cc1OC[C@@H](C#N)CCC#N 153042526 ZHXOWUNCXMLOMT-CQSZACIVSA-N 256.349 3.941 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CCCO1 154040700 ZBFLCEGRFPLQBA-RNCFNFMXSA-N 284.281 3.556 30 20 CHED CCC[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 155062388 UWILJJQQPBHBQM-QGZVFWFLSA-N 284.403 3.530 30 20 CHED C#CCCCCNC(=O)c1cc(Cl)ccc1OC(C)C 156364399 IXEQGRSADRJSST-UHFFFAOYSA-N 293.794 3.661 30 20 CHED C=C(C)CNC(=O)N(C)Cc1cccc2ccccc12 156582955 MJQLRRCWHCBAKZ-UHFFFAOYSA-N 268.360 3.557 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)ccc1SC 156881492 PSHKKASWVJRVOQ-UHFFFAOYSA-N 270.785 3.760 30 20 CHED CN(C)c1ccccc1N(C)CCCC(C)(C)C#N 159113660 WXZIRSYNRGQZAL-UHFFFAOYSA-N 259.397 3.519 30 20 CHED CC(C)CN(CCC#N)Cc1ccc(Cl)cc1F 162172333 VZKZHGISRZFRIY-UHFFFAOYSA-N 268.763 3.851 30 20 CHED CC/C(=C/C(=O)N1CCC(C#N)CC1)c1ccc(C)cc1 162369339 BRURLBUJRKKGRA-VBKFSLOCSA-N 282.387 3.551 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 163325255 KNJNSRAIJKTJRM-MNOVXSKESA-N 255.308 3.903 30 20 CHED C#CCCCOC(=O)c1cc(SC)ccc1Cl 170712422 SJWUPSRBWJZEQC-UHFFFAOYSA-N 268.765 3.632 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 171319235 SFFMOBSPVIGUNB-UONOGXRCSA-N 299.418 3.667 30 20 CHED O=C1/C(=C/c2cccnc2Cl)CCc2ccccc21 171349417 RGJHVHUKLJGLTH-ZRDIBKRKSA-N 269.731 3.948 30 20 CHED N#C[C@@H](NC(=O)CC1=CCCCC1)c1ccccc1Cl 172028185 WHQOQCZNADCZLY-OAHLLOKOSA-N 288.778 3.911 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C)o1 173042663 DVVUHHFBKWWEQQ-UHFFFAOYSA-N 283.331 3.534 30 20 CHED CSC(C)(C)C/N=C/c1cc2ccccc2nc1O 174445885 OYFDQXRXALNTIB-CXUHLZMHSA-N 274.389 3.501 30 20 CHED N#CCCCOC(=O)c1ccc(Oc2ccccc2)o1 175032840 CEJKWZASJAFHJX-UHFFFAOYSA-N 271.272 3.532 30 20 CHED C[C@@H](C(=O)N(CC#N)C1CCCC1)c1ccc(Cl)s1 176683124 RKUUMUVSOJHWKE-SNVBAGLBSA-N 296.823 3.800 30 20 CHED N#Cc1cc(CNc2ccc3scnc3c2)ccc1F 176969966 SNXJKIIQJRDEMK-UHFFFAOYSA-N 283.331 3.919 30 20 CHED N#Cc1ccc(CNC2(c3cccc(F)c3)CC2)s1 176973979 MTBAFIYBOGSUMX-UHFFFAOYSA-N 272.348 3.538 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 177353605 ONYJWXQKBYZOFU-UHFFFAOYSA-N 297.354 3.808 30 20 CHED C/C=C(\C=C\C(=O)Nc1ccccc1O[C@H](C)C#N)CC 180353246 IEVOERJWUFJIRY-PDHAFMKUSA-N 284.359 3.828 30 20 CHED C=C(C)CN(C)C(=O)CCc1ncc(-c2ccc(C)cc2)o1 180389909 BNKIJTCNOKMBPL-UHFFFAOYSA-N 298.386 3.617 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1F 181304850 MTXAGKDZLBVTFT-LLVKDONJSA-N 299.305 3.761 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1ccc(F)cc1F 181578270 BSWHVFSEVXYYLL-NSHDSACASA-N 266.335 3.945 30 20 CHED C[C@@H]1CC(C(=O)Nc2ccccc2C#N)C[C@H](C)C1 182315030 VLINTMZPNWRAHB-ONXXMXGDSA-N 256.349 3.569 30 20 CHED Cc1cc(CNCc2ccc(C#N)s2)ccc1Cl 184334986 WDPMIBSTFMADNM-UHFFFAOYSA-N 276.792 3.871 30 20 CHED N#Cc1ccc(CNc2c[nH]nc2-c2ccccc2)cc1 184751647 BIEZIYUFFDKSHM-UHFFFAOYSA-N 274.327 3.560 30 20 CHED C[C@@H](CCN[C@@H]1CCC[C@H](C#N)C1)N(C)Cc1ccccc1 185852054 GDZNIBWUCBHKQW-YTQUADARSA-N 299.462 3.569 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H]1CCC[C@@H]1C 186844802 VBKVPBGUJIIWQW-UONOGXRCSA-N 264.413 3.791 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OCC)cc1C 187844415 AGYHPAKPSOQTLR-MRXNPFEDSA-N 261.365 3.935 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)CCSCC)c1ccccc1 188344881 YLKWOAWPISDUHF-HOCLYGCPSA-N 291.460 3.994 30 20 CHED CCN(C(=O)c1coc(C)c1)[C@H](C)c1ccc(C#N)cc1 188740570 HTDQRDAUSYNKLP-CYBMUJFWSA-N 282.343 3.683 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 189578627 CKHZUKTVGYJZKO-DLBZAZTESA-N 283.415 3.564 30 20 CHED CC[C@H](NCc1cc(C#N)n(C)c1)c1cccc(Cl)c1 189581541 BWYOYLVHHQNLFP-INIZCTEOSA-N 287.794 3.791 30 20 CHED C#CCCCC(=O)Nc1ccccc1SC(F)F 192079471 MIOVPUBSBJNSCU-UHFFFAOYSA-N 269.316 3.743 30 20 CHED C#CCCCC(=O)NCCc1ccc(-c2ccccc2)cc1 192155569 IAUZVUCLWYURIR-UHFFFAOYSA-N 291.394 3.816 30 20 CHED C#CCCCC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 192372098 VDCSOOLKTKSMOH-MRXNPFEDSA-N 275.367 3.833 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2CCCc3ccccc32)C1 192591904 YHDIFABYYNBVTN-LXZKKBNFSA-N 254.377 3.736 30 20 CHED C[C@H](CCc1ccc(O)cc1)N[C@H](C)c1cccc(C#N)c1 193021207 ADTNCKRERHSQRP-HUUCEWRRSA-N 294.398 3.936 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2ccccc2OC(F)F)C1 193347018 WFDQEXLKKVBKMH-JSGCOSHPSA-N 294.345 3.502 30 20 CHED C=CCCCCCNc1cc(OC)c(OC)c(OC)c1 194358752 QVMZAGONUIENAD-UHFFFAOYSA-N 279.380 3.871 30 20 CHED CSc1ccc([C@H](C)OC(=O)C(C)(C)C#N)cc1 194846225 INJQFOZKEJCWPX-JTQLQIEISA-N 263.362 3.562 30 20 CHED C=CCSCCNC(=O)c1ccc(OCCCC)cc1 195728692 UVQRTVQPWDXTSI-UHFFFAOYSA-N 293.432 3.515 30 20 CHED COc1cc(C(=O)/C=C/c2cc(C)ccc2OC)ccc1O 198286629 ROQZDIPJSWRCMG-VOTSOKGWSA-N 298.338 3.614 30 20 CHED CCCCCCCC(=O)N[C@H](C)[C@H](O)c1ccccc1 220248510 KDUJQYVMMSBKIZ-PBHICJAKSA-N 277.408 3.585 30 20 CHED CC(C)CCCCCCNC(=O)C1(C#N)CC(C)C1 229603030 JPOBYOXARMKELF-UHFFFAOYSA-N 264.413 3.649 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(C#N)cc1 229679349 IOCKEOSGPLMBRE-CYBMUJFWSA-N 255.365 3.539 30 20 CHED CC1(C)CCCN(Cc2ccc(F)c(C#N)c2)CC1 229751044 FLXKWHSLMXGUME-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=CCSCCN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21 230666537 UIIQESHAYKCRTO-QWHCGFSZSA-N 277.433 3.758 30 20 CHED Cc1cc([C@@H](C)Nc2nccc(C#N)c2Cl)c(C)o1 235285030 ZJHGAPIMXHASHK-SECBINFHSA-N 275.739 3.990 30 20 CHED CC[C@H](C)NC(=O)[C@H](C)S[C@H](C)c1cccc(C#N)c1 248881655 DFXVYFCBOIYLRH-XQQFMLRXSA-N 290.432 3.656 30 20 CHED C=CCCC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 264471741 SUKTYRKUFQVZAO-GFCCVEGCSA-N 286.400 3.954 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc([S@@](C)=O)cc1 271426604 CODDSJQDMFWDFS-WFTHSTBKSA-N 279.449 3.675 30 20 CHED CC1(C#N)CCN([C@@H]2CCCc3ccccc32)CC1 272543578 JXLSHCGRSKSSLH-MRXNPFEDSA-N 254.377 3.690 30 20 CHED CCOc1ccc(Cl)cc1[C@H](C)NCCCC#N 273300165 URLFOZZGZUSRDL-NSHDSACASA-N 266.772 3.693 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273495031 XMRKKEZXDTYQLM-XKQJLSEDSA-N 277.383 3.990 30 20 CHED CC#CCCCC(=O)N1CCCC[C@H]1c1ccccc1 274322554 KQGTXVFHMWEBTB-KRWDZBQOSA-N 269.388 3.934 30 20 CHED C=CCCCCNC(=O)N(C)[C@H](C)c1sc(C)nc1C 274455050 AWBXMTDXRUJTGS-GFCCVEGCSA-N 295.452 3.819 30 20 CHED Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(C)n1 279822905 IKLOWKJYEYQQEN-UHFFFAOYSA-N 293.370 3.752 30 20 CHED CC[C@H](CC#N)NCc1ccc(N(C)C)cc1C(F)(F)F 279980011 QZMIUAFMMARGMX-GFCCVEGCSA-N 299.340 3.553 30 20 CHED C=C[C@H](CC(=O)N(C)CCCSC)c1ccccc1 281314791 PODSXISIYJYJOR-CQSZACIVSA-N 277.433 3.558 30 20 CHED C[C@H](c1cccs1)N(C)c1nc(Cl)c(C#N)s1 286156853 BVSGFYAVFPXQDU-SSDOTTSWSA-N 283.809 3.927 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC(C)(C)[C@H]1c1cccs1 288349321 LTMOVIMAUOOJMU-GXTWGEPZSA-N 293.432 3.639 30 20 CHED C=C[C@@H](CO)NC(=O)Nc1c(C(C)C)cccc1C(C)C 290394268 LSCUPPSMVHWAOR-ZDUSSCGKSA-N 290.407 3.602 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 295129893 KWSRNVGDNMIKDZ-QWHCGFSZSA-N 263.768 3.524 30 20 CHED C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1F 297980290 QNMNEJHTHIXDRF-SJCJKPOMSA-N 287.334 3.904 30 20 CHED N#Cc1ccc(N[C@H]2CCCN(c3ccccc3)C2)c(F)c1 301283793 KZLGXMBPYBCQHF-HNNXBMFYSA-N 295.361 3.778 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Oc2ccc3ncccc3c2)c1 302218068 QHQIEJBPWRQJAO-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C=C(C)CN(CC)C(=O)COc1ccccc1C(C)(C)C 302815115 LSXMPDMHVKOEMZ-UHFFFAOYSA-N 289.419 3.788 30 20 CHED CCOc1ccc(Oc2c(C#N)cccc2C#N)cc1 302840545 LMNGPPOMDDYPEB-UHFFFAOYSA-N 264.284 3.621 30 20 CHED C=C(C)CNc1cc(F)cc(F)c1Br 306438733 INJZYNXDSJGOJP-UHFFFAOYSA-N 262.097 3.715 30 20 CHED CC[C@@H](C)CN(C)Cc1ccc(Br)cc1C#N 310324250 YHVKVYVFDGGAPH-LLVKDONJSA-N 295.224 3.799 30 20 CHED N#Cc1ccc(-c2nc(-c3cccc4ccccc34)no2)[nH]1 320161753 XHXDLDJMNVWSCE-UHFFFAOYSA-N 286.294 3.757 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2nc3ccccc3s2)CCC1=O 328910181 NGQVSKCLGUVBCP-NXEZZACHSA-N 288.372 3.890 30 20 CHED Cc1ccc2nc(N=C(O)C[C@H]3CCOC3)sc2c1 329843018 NXYFIUHLMVGIRN-SNVBAGLBSA-N 276.361 3.619 30 20 CHED N=C(O)[C@@H]1CCC[C@H](/C(O)=N/[C@H]2[C@@H]3c4ccccc4C[C@H]32)C1 329892438 IZZIOYBGSYZFHH-UDUPFKKZSA-N 298.386 3.623 30 20 CHED N#Cc1c(Cl)cccc1N1CCC(OC2CCC2)CC1 334940895 RVEBKXCSKWZMBF-UHFFFAOYSA-N 290.794 3.750 30 20 CHED CC(C)(C)C1=CCN(C(=O)Nc2cccc(CC#N)c2)CC1 334981119 DBFYYAJVECDBPQ-UHFFFAOYSA-N 297.402 3.963 30 20 CHED N#Cc1ccc(CCC(=O)N2CCCC23CCCCC3)cc1 336151279 OSWRWMVDDNLCRS-UHFFFAOYSA-N 296.414 3.816 30 20 CHED C[C@@H]1C[C@@H](NC2CCC(C)(C#N)CC2)c2ccccc2O1 336215174 ALTWEWIXLAZNAA-GEMJLEDKSA-N 284.403 3.961 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ncccc1C(C)C)OCC 339483583 AXVDMAZMTGMYPL-AWEZNQCLSA-N 276.380 3.515 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cc(F)cc(Cl)c1 340877058 JXXWUONPAGKQMP-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC(C)(CCC#N)CNCc1cccc2cc[nH]c12 342293030 OLVAHQUPCLUJPN-UHFFFAOYSA-N 255.365 3.587 30 20 CHED Cc1cc(N2CCC(c3ccsc3)CC2)cc(C#N)n1 343035210 SLRYTJVCNXAAQJ-UHFFFAOYSA-N 283.400 3.707 30 20 CHED Cc1cc([C@H](C)NCCc2cccc(C#N)c2)c(C)o1 343538325 UQXWZGJNQUVZHN-ZDUSSCGKSA-N 268.360 3.661 30 20 CHED C[C@@H]1CC[C@H](C(=O)N[C@@H](CCC#N)c2ccccc2)C1 345244532 FFXJTWJPWLRBEN-KBMXLJTQSA-N 270.376 3.584 30 20 CHED Cc1ccc(Oc2ccc(NC(=O)[C@H](C)C#N)cn2)cc1C 345773661 YYRSHHPEEJQFHY-CYBMUJFWSA-N 295.342 3.589 30 20 CHED C[C@H]1CCC[C@H](CC(=O)NCC(C)(C)CCC#N)C1 346003429 NZKPDVIXJPADSW-KBPBESRZSA-N 264.413 3.649 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@@H]2C[C@H]2c2ccccc2)no1 347218654 OIRBKUWQBCGROY-JONQDZQNSA-N 296.370 3.789 30 20 CHED C=C(C)CN(Cc1ccc(Cl)o1)Cc1ccc(CO)o1 348651519 UDBKSLIVKLQLIV-UHFFFAOYSA-N 295.766 3.597 30 20 CHED C[C@H](CCC#N)N1CCC[C@@H]1c1cccc(N(C)C)c1 351470732 FMKIVZLBZIWPPW-RHSMWYFYSA-N 271.408 3.582 30 20 CHED C=C[C@H](C)NC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 352248870 DRTNFPFEAGNVJF-LRDDRELGSA-N 288.366 3.635 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OCC)c(OC)c1 352336713 YQERKHHVJOKZBV-UHFFFAOYSA-N 292.379 3.572 30 20 CHED CCC(=O)CCCSc1ccc(C#N)cc1F 352365234 PAYCXSLYXICANN-UHFFFAOYSA-N 251.326 3.549 30 20 CHED CC[C@]1(C)CCN(Cc2cccc(OCCCC#N)c2)C1 354105934 GAUZVSWERUVIQC-GOSISDBHSA-N 286.419 3.991 30 20 CHED CCOc1ccc(CNc2cccc(C#N)c2C)cc1OC 354771389 TYISLWXMYLLSKQ-UHFFFAOYSA-N 296.370 3.886 30 20 CHED C=CCC(CC=C)c1nc(Cc2cn3ccccc3n2)no1 355645731 GKZBMRDAFRCLGC-UHFFFAOYSA-N 294.358 3.544 30 20 CHED Cc1ccc(-c2ccc(C(=O)NCC(C)(C)C#N)s2)o1 359637862 QXHVJHSDKARTKG-UHFFFAOYSA-N 288.372 3.596 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1coc2ccccc12 359702768 HJKJIXPWDHJBJL-CYBMUJFWSA-N 272.348 3.587 30 20 CHED CC(C)c1nccc(Sc2ccc(C#N)cc2F)n1 361117951 QDIAJXMXYDHFBB-UHFFFAOYSA-N 273.336 3.762 30 20 CHED CC(C)(CCC#N)CN1CC[C@]2(CCc3ccccc3O2)C1 368223806 BPVYEULFYFVYKH-LJQANCHMSA-N 298.430 3.786 30 20 CHED N#Cc1cc(Br)ccc1CNc1ccccc1 379863717 LNRCJWJVGBDBRK-UHFFFAOYSA-N 287.160 3.933 30 20 CHED N#Cc1cc(F)cc(OCCCCC2CCOCC2)c1 383611621 NNIRQKBAAGNODY-UHFFFAOYSA-N 277.339 3.673 30 20 CHED CC1(C)CCC(NCc2ccc(C#N)c(F)c2)CC1 404093461 BDHNXICZMJSWPJ-UHFFFAOYSA-N 260.356 3.756 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(F)c1)CC2 404743873 DDVYTFJJLVQUOS-SFHVURJKSA-N 280.346 3.783 30 20 CHED C=CC[C@H](CC)NC(=O)CCSCc1ccccc1 410125321 NVQVHVHHFJDMTC-HNNXBMFYSA-N 277.433 3.781 30 20 CHED CC[C@H](C)OCC(=O)Nc1scc(C(C)(C)C)c1C#N 410930440 QOOAFIOHTQDPRF-JTQLQIEISA-N 294.420 3.671 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)CCC2 414169812 SDUDGHWITPHIEB-CYBMUJFWSA-N 256.393 3.766 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccncc1 414301388 LYAAIUGKFJUFGY-YJBOKZPZSA-N 266.388 3.920 30 20 CHED N#CC1(CSCc2cc(-c3ccco3)on2)CCC1 419418414 QXCRETRIUDIAKV-UHFFFAOYSA-N 274.345 3.862 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC[C@@H](N)C2)c(C(F)(F)F)c1 420273588 DXADLXABYUXPTP-VXGBXAGGSA-N 297.324 3.506 30 20 CHED C[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 424191649 HQQYQIBOINHESY-TYNCELHUSA-N 262.784 3.725 30 20 CHED Cc1ccc(CC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 425120519 AUEDIGSTEBRSQA-HNNXBMFYSA-N 292.382 3.629 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 425428869 XFRRDSUYWVJJFN-CKEIUWERSA-N 299.418 3.839 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cc2ccc(C)cc2o1 426059031 NLPWNVUEBBTEHZ-ZIAGYGMSSA-N 273.376 3.576 30 20 CHED N#Cc1ccc(NC[C@H]2CCCC[C@H]2C(F)(F)F)cn1 426894679 CZAXYPUDPGNCDN-ZWNOBZJWSA-N 283.297 3.734 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cn(CC)c2ccccc12 428048736 KSBHMOXDOCGKQQ-CQSZACIVSA-N 282.387 3.842 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(OCCC(C)C)CC1 429891640 YYKJPBZLJRNZML-UHFFFAOYSA-N 281.440 3.642 30 20 CHED C=CCC(C)(C)CNC(=O)NCCc1sccc1C 432354088 SQNJWLABPCUCFG-UHFFFAOYSA-N 280.437 3.501 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@H]2CCC[C@@H]21 432570412 UZOKXKZCAKEOEH-KGLIPLIRSA-N 264.413 3.563 30 20 CHED CC1(C)CC(NCCSCc2ccccc2C#N)C1 433151615 ZLCMSTLDIGVHFG-UHFFFAOYSA-N 274.433 3.570 30 20 CHED Cc1ccc(-c2nnc([C@@H](C)N(C)CC(C)(C)C#N)o2)cc1 433314021 SWHPQTMDCNRENG-CYBMUJFWSA-N 298.390 3.588 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)NCCCC#N)CC1 436316217 IKCNLBADWFVLAX-UONOGXRCSA-N 279.428 3.584 30 20 CHED C=CCC1(c2nc(-c3ccc(O)c(F)c3)no2)CCC1 436880825 SRENOOJIHCNODZ-UHFFFAOYSA-N 274.295 3.579 30 20 CHED CC[C@]1(C)CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 438850724 NBLXXJVTAXJHRU-SJLPKXTDSA-N 299.418 3.863 30 20 CHED CC(C)C(C)(C)C(=O)Nc1ccc(Cl)c(C#N)c1 439132305 GUZKKFBLUDSYQV-UHFFFAOYSA-N 264.756 3.832 30 20 CHED CCOc1ccc(OCC)c(N[C@@H]2CC[C@H](C#N)C2)c1 442871669 XDIITBYKBYCTQY-QWHCGFSZSA-N 274.364 3.588 30 20 CHED C[C@]1(C(=O)Nc2ccc(C#N)cc2)CCc2ccccc2C1 443837500 OCHJPXMBYGIRBS-IBGZPJMESA-N 290.366 3.692 30 20 CHED CSc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1 444732853 WVHRVVGCRLAILZ-HNNXBMFYSA-N 274.433 3.923 30 20 CHED C=CCC1(C(=O)Nc2cccc(O)c2)CCCCC1 448557005 IBASRPAZWACZSK-UHFFFAOYSA-N 259.349 3.857 30 20 CHED CCCCc1ccc(NC(=O)c2cc(C#N)[nH]c2C)cc1 448561034 DMTJQRSNJGYICZ-UHFFFAOYSA-N 281.359 3.790 30 20 CHED C=CC(C)(C)C(=O)N(CC)Cc1ccc(Cl)cc1 448664590 JUNOQRMTNALCGE-UHFFFAOYSA-N 265.784 3.901 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C)nc1C(C)C 448683988 FJFQIGRPTQZNTQ-UHFFFAOYSA-N 260.381 3.552 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@]1(C#N)C[C@H]1C 448962698 SGJBFHDVXJNAIM-HFTRVMKXSA-N 284.403 3.748 30 20 CHED CCN(CCC#N)Cc1cc(OC)c2ccccc2c1 449008287 ITPTYTAXKSOJGW-UHFFFAOYSA-N 268.360 3.584 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)Cc1c(C)noc1C 449159956 JYFRVUKHBSFZAR-QWHCGFSZSA-N 264.413 3.947 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc2ccoc12 449302330 UZUOBZVZSDHDRK-CVEARBPZSA-N 271.360 3.504 30 20 CHED C=CC(C)(C)CN[C@@H]1CCC[C@@H](c2cccnc2)C1 449484297 GBILMROVUHZLPW-GDBMZVCRSA-N 258.409 3.910 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)CC(C)(C)c1ccccc1 449517444 FRGWGGKQOKHMCT-OIISXLGYSA-N 273.420 3.676 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)NCC(C)(C)CCC#N 451775553 OUKCEFHZFPAJIE-UONOGXRCSA-N 264.413 3.649 30 20 CHED N#CCc1ccc(NC(=O)CC2CCCC2)c(Cl)c1 452643413 JLHWJTCZSZWNDD-UHFFFAOYSA-N 276.767 3.925 30 20 CHED C=C(C)CCNC(=O)c1sc(C)nc1-c1ccccc1 452722837 LNGSDMRVOLLUEN-UHFFFAOYSA-N 286.400 3.815 30 20 CHED C=CC(C)(C)CNC(=O)c1cccc(C(F)(F)F)c1 452781004 ZAAHSDCOKSASDF-UHFFFAOYSA-N 271.282 3.647 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)C(C)(F)F)c1ccccc1 452844805 GDHLRGXOCSOEAE-AAEUAGOBSA-N 267.319 3.506 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CCSc2ccccc21 453368526 UKNRKQNIKZXMEY-ZNMIVQPWSA-N 275.417 3.547 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(Cl)s1 453369960 VDPFYMXKLLVIFM-MXWKQRLJSA-N 271.813 3.786 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(C)sc1C 453376000 XPFDYDXDXLDYLU-GLQYFDAESA-N 265.422 3.749 30 20 CHED C=C(CC)CNC(=O)Nc1c(F)cc(Cl)cc1F 455057036 FRBQYWKOQDCMBG-UHFFFAOYSA-N 274.698 3.706 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 455329410 SRZPTPMMGNBVGI-ZBFHGGJFSA-N 272.392 3.745 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](C)C2CCC2)c1 457483516 UYMKUIWPSZKHTC-LBPRGKRZSA-N 259.349 3.626 30 20 CHED C=CCSc1ccccc1C(=O)NCC(C)(C)CC#N 457999025 YKKIHZDGZITOME-UHFFFAOYSA-N 288.416 3.634 30 20 CHED C=CCCC(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C 458004414 ZOQSTNUDOVPOKJ-HOCLYGCPSA-N 257.377 3.509 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC(C)(C)CC#N 459237740 NLGKKGUMLOBDKM-UHFFFAOYSA-N 299.418 3.714 30 20 CHED CCC[C@]1(C)CCCN(C(=O)NCC(C)(C)CC#N)C1 459260546 QQHAINJZLRFONA-MRXNPFEDSA-N 279.428 3.538 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)NCC(C)(C)CC#N 459263082 WSNSFPCKOSOCHZ-KBPBESRZSA-N 279.428 3.536 30 20 CHED COCc1ccccc1/C=C(/C)CNCC(C)(C)CC#N 459731951 NYLVBUHQLAKRSL-PTNGSMBKSA-N 286.419 3.766 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H](CC)CC1 466377181 BUSQPBGFDXUFLB-KBPBESRZSA-N 252.402 3.563 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 467011120 SBUWFZWYRPBBLK-HNNXBMFYSA-N 294.826 3.879 30 20 CHED CC#CCCCC(=O)NCC[C@H](C)CC(C)(C)C 468080677 RCEYZBWNQDHBCM-AWEZNQCLSA-N 251.414 3.759 30 20 CHED C=CCCC1(C(=O)NCCc2ccc(F)cc2C)CC1 476259123 LWVKJJJZKHDYBH-UHFFFAOYSA-N 275.367 3.539 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N(CC)C1CCCCC1 477000729 JYQSBSUPTRFAED-ZDUSSCGKSA-N 269.454 3.865 30 20 CHED CCCC(C)(C)CC(=O)N[C@@H](C#N)c1ccccc1F 486431329 CYMPAQAQDDFKHX-AWEZNQCLSA-N 276.355 3.723 30 20 CHED C=C(C)COc1cccc(NC[C@@H]2CCSC2)c1 487257893 DHGUOTATOGTQRH-ZDUSSCGKSA-N 263.406 3.807 30 20 CHED C=CCN(C)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 487746415 DMKCTJDSZMJRQG-HOTGVXAUSA-N 272.392 3.540 30 20 CHED C=CCOc1ccc(Oc2ccc(C#N)c(C)n2)cc1 488076476 NHIQACCMUZOIRN-UHFFFAOYSA-N 266.300 3.619 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(COCC)c1 488260174 CHLHERQKWJJSSD-MRXNPFEDSA-N 288.391 3.796 30 20 CHED C#CCN(C(=O)Nc1cccc(C(C)=O)c1)C1CCCCC1 490593511 AOLVBWIUXJLSSP-UHFFFAOYSA-N 298.386 3.689 30 20 CHED Cc1ccc(NC(=O)c2cccc(C#N)c2C)c(C)c1 509014445 KOXQMPSQOLMTSD-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CC(C)C[C@@H](C)CSCC(=O)Nc1ccc(C#N)cc1 512841278 ZODYGBHTOCVFBB-CYBMUJFWSA-N 290.432 3.912 30 20 CHED C=CCSCCNC(=O)N[C@H](c1ccccc1)C(C)C 514017982 NPLQCGUEZQWOKP-HNNXBMFYSA-N 292.448 3.602 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC(C)(C)C1 514230997 QEWKCUNROCBBBV-QGZVFWFLSA-N 296.414 3.899 30 20 CHED C=CCn1c(SCCCCC)nc2sccc2c1=O 514434519 PEWJSSUJEJELJN-UHFFFAOYSA-N 294.445 3.926 30 20 CHED C[C@H](NC(=O)C[C@@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 522908541 PQBOWLBKUILMSV-IJEWVQPXSA-N 284.403 3.952 30 20 CHED C[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)c1ccc(C#N)cc1 525113965 GFVAFQBXDGNRTL-CHWSQXEVSA-N 296.345 3.678 30 20 CHED C=CC(C)(C)C(=O)N1CCc2cccc(C(F)(F)F)c2C1 530083107 ULMIHEWBBNDFBJ-UHFFFAOYSA-N 297.320 3.802 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1ccc(F)c(F)c1 537232611 QJMDYQZKPMLVDO-VXGBXAGGSA-N 281.346 3.929 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@@H](CC)c1ccccc1 537612888 INOFXSFICPSBET-GDBMZVCRSA-N 274.408 3.834 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)Cc1ccccc1C 538714715 RXJSZBAMLKITQA-ZBFHGGJFSA-N 274.408 3.580 30 20 CHED N#Cc1ccc(CN2CCC=C(c3ccccc3)C2)c(F)c1 551401921 OVBAFMVOLNADQS-UHFFFAOYSA-N 292.357 3.987 30 20 CHED C[C@H]1COCC[C@H]1CNc1ccc(C#N)cc1C(F)(F)F 553650354 YFQLDYRPKUNTRQ-JQWIXIFHSA-N 298.308 3.662 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C#N)c1ccc(CC)cc1 554789951 IVEFFSNLXUEESG-QGZVFWFLSA-N 282.387 3.698 30 20 CHED Cc1cc(NCCc2cccc(Cl)c2)cc(C#N)n1 561106872 XCVMMVXASGNWKX-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccccc1CC#N 561798696 FVCKWESEWUGGJQ-ZFWWWQNUSA-N 270.376 3.908 30 20 CHED C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)CC(C)C 568299234 HGTZDRXSAJPHIY-UHFFFAOYSA-N 288.395 3.515 30 20 CHED COC(C)(C)CNc1c(C#N)cnc2c(Cl)cccc12 568860215 AAGHYMUDVDNMNA-UHFFFAOYSA-N 289.766 3.597 30 20 CHED C[C@H]1CCCC[C@H]1Cn1cc(C#N)c(=O)c2ccccc21 569140748 NGOHRYNYQHJSOK-KBPBESRZSA-N 280.371 3.699 30 20 CHED C=CCC(C)(C)c1noc(-c2cnc(CCC)s2)n1 570111985 DPKZZGIMPZTGSY-UHFFFAOYSA-N 277.393 3.999 30 20 CHED CC(C)(C)OCCCCSc1cccnc1C#N 574889704 DGEOSMQNNWMRNQ-UHFFFAOYSA-N 264.394 3.641 30 20 CHED CCC[C@@H](CCc1ccccc1)Nc1cc(C#N)ncn1 580688915 XACITBFUBIKHGX-HNNXBMFYSA-N 280.375 3.562 30 20 CHED CC(C)(CCC#N)CN[C@H]1CS[C@@H](C(C)(C)C)C1 580918687 DKGKJWQILVIORM-CHWSQXEVSA-N 268.470 3.826 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 580928080 BCTIAJFNGDERNM-MASVMSMMSA-N 291.410 3.862 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCCC2(C)C)cc1 581335387 JPRUGABJYKEZEV-HZPDHXFCSA-N 284.403 3.756 30 20 CHED N#CCCCCCC(=O)Nc1cccc(Cl)c1 588147751 ITMOLPFFHIGNLB-UHFFFAOYSA-N 250.729 3.753 30 20 CHED CSC1(C/N=C\c2cc(Cl)ccc2O)CCC1 588610486 RONXPGOYQKARFH-NVNXTCNLSA-N 269.797 3.750 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cc(C)sc2C)cc1 589081435 ZPZWDERYDJEWLX-MRXNPFEDSA-N 298.411 3.922 30 20 CHED CCCN(CC)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 589354855 RYNCDZRHBIIWQH-KXBFYZLASA-N 299.462 3.646 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)N2CCC(CCC#N)CC2)C1 591942273 MEIUTNRCNVFVJC-HOCLYGCPSA-N 291.439 3.681 30 20 CHED CC(C)c1nc(CN2CCC[C@](C)(C#N)C2)c2ccccn12 593614688 HBFUJNPNFNFOJO-GOSISDBHSA-N 296.418 3.583 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(C(F)F)cc1F 594031228 IUVXQNBDVTVOCH-UHFFFAOYSA-N 298.308 3.823 30 20 CHED C=CCCSCCN[C@@H](C)c1sc(C)nc1C 595059427 OGGRAQKLIFBMJX-JTQLQIEISA-N 270.467 3.720 30 20 CHED C[C@@H](c1ccc2c(c1)CCC2)N1CCC[C@@H](CC#N)C1 595623236 KLJITELTIKLPLQ-GJZGRUSLSA-N 268.404 3.862 30 20 CHED CCOC(=O)c1cncc(-c2ccc([C@@H](C#N)CC)cc2)c1 596637816 DPOGHRYKVBFXDJ-CYBMUJFWSA-N 294.354 3.942 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 597041060 FOTRNTCYTYEJKC-MSOLQXFVSA-N 298.430 3.796 30 20 CHED COc1cccc(C[C@@H]2CCCN2C[C@@H](C)CCC#N)c1 602450447 VYROSLFAHNOTPV-RDJZCZTQSA-N 286.419 3.642 30 20 CHED CC(C)c1ccc(CCNC[C@@H](C)CCC#N)cc1 602500448 ZHFWMAITBBVSRU-HNNXBMFYSA-N 258.409 3.882 30 20 CHED CCOc1cc2c(cc1NC[C@H](C)CCC#N)O[C@@H](C)C2 602588512 NFYQFNLKBLVYAW-OLZOCXBDSA-N 288.391 3.760 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OCc2ccccc2)cc1 604881212 OJEJVMDNPTVTOO-HNNXBMFYSA-N 295.382 3.960 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)Oc1cccc(C)c1 606816905 XJDMORYIFJINOT-MRXNPFEDSA-N 289.419 3.967 30 20 CHED Cc1ccc(NC(=O)COc2ccc(C#N)cc2C)cc1C 608886280 CNPQUUKROSAAMH-UHFFFAOYSA-N 294.354 3.501 30 20 CHED CC[C@@H](NC(=O)CSc1ccc(C#N)cc1)C(C)(C)C 609230133 WWJYWPMPWQEKKM-CQSZACIVSA-N 290.432 3.591 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1ccccc1C#N 610004542 OXKNHLWPXSEVQR-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)NCc1cccc(C#N)c1 610023862 XLGVMWSOCLTMAM-YOEHRIQHSA-N 299.418 3.668 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 610142500 SNABOBRGAGBKKC-AAEUAGOBSA-N 289.354 3.788 30 20 CHED C[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccco1 610169594 MWJCUOMSBWVKDN-VIFPVBQESA-N 274.707 3.547 30 20 CHED CCCN(Cc1ccccc1F)c1cccc(C#N)n1 611116077 KGYJJGHAQNZSMS-UHFFFAOYSA-N 269.323 3.509 30 20 CHED C=CCCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 611467711 YYHUKRXUSJTBPC-UHFFFAOYSA-N 293.370 3.871 30 20 CHED C[C@H](Cc1ccc(F)cc1)NC1(c2cccc(C#N)c2)CC1 611476114 GLGPDYGIFJILEV-CQSZACIVSA-N 294.373 3.907 30 20 CHED C[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 611618150 ANKRXXSREJQROZ-IUODEOHRSA-N 270.376 3.562 30 20 CHED C[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)[C@@H](C)c1ccccc1 612134758 AWSZPGKOQJPCRQ-VKJFTORMSA-N 299.418 3.514 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H](C)CCC(C)(C)C 612483635 WPGAPENLAFZMDX-QWHCGFSZSA-N 252.402 3.503 30 20 CHED C=CCCC(=O)Nc1nc2ccccc2n1C(C)C 618855887 NCYBRUZQCCWJFE-UHFFFAOYSA-N 257.337 3.522 30 20 CHED C=CCN(C(=O)c1cc(-c2ccccc2)no1)C(C)(C)C 622943750 POJWCPNMEITBSR-UHFFFAOYSA-N 284.359 3.768 30 20 CHED C=CCC1(NC(=O)c2cc(C)[nH]c2C)CCCCC1 654021703 QOHZXZLTJAOIOQ-UHFFFAOYSA-N 260.381 3.640 30 20 CHED C=CCC1(NC(=O)NCc2ccoc2C)CCCCC1 655138289 FDWIWVQDYVQBCQ-UHFFFAOYSA-N 276.380 3.666 30 20 CHED C=CCCNC(=O)N1CCC(=Cc2ccccc2F)CC1 661570201 JYKPQHDUKHSJRG-UHFFFAOYSA-N 288.366 3.591 30 20 CHED C=CCCNC(=O)Nc1ccccc1OCCCC 665818773 TWEXJFIIVISRQG-UHFFFAOYSA-N 262.353 3.563 30 20 CHED C=CCCNC(=O)N1C[C@@H](C(C)C)c2ccccc21 665942924 KWECFBIKASYWRH-AWEZNQCLSA-N 258.365 3.532 30 20 CHED C=C(CNC(=O)Nc1ccc(C)cc1)c1ccccc1 672598710 BBFDIXLWWJSXCV-UHFFFAOYSA-N 266.344 3.830 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 674952766 VVENMEZTRLYVEL-LBPRGKRZSA-N 285.318 3.922 30 20 CHED N#CCOc1cccc(N[C@H]2CCC23CCCC3)c1 694401841 JPNQVAPKRDIMQG-HNNXBMFYSA-N 256.349 3.724 30 20 CHED N#Cc1ccc(NC(=O)/C=C\c2ccccc2)c(Cl)c1 700840488 FWNVFOFJMZIZER-CLFYSBASSA-N 282.730 3.864 30 20 CHED CC[C@H](Cc1ccccc1)/N=C/c1ccccc1O 727781518 PDSSSDKHPPGGIV-APVMCDBPSA-N 253.345 3.832 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCc2ccccc2C)c1 728824733 NEWZSLGPQLJSLT-UHFFFAOYSA-N 291.394 3.962 30 20 CHED Cc1cccc(/C=C2/COc3ccccc3C2=O)c1C 731155564 LAZWSFMYDXWHQV-GDNBJRDFSA-N 264.324 3.962 30 20 CHED Cc1cc(NN=C2CCC[C@@H]2c2ccccc2)ncn1 732532354 HKILCXYQSJPJFW-CQSZACIVSA-N 266.348 3.521 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])cc2C#N)cc1 733187206 LUCDEDDLQBQHNS-CYBMUJFWSA-N 295.342 3.972 30 20 CHED C#CC(C)(C)NC(=O)c1cnc(-c2ccc(C)cc2C)s1 733979098 MPUGCNXOEUJHRD-UHFFFAOYSA-N 298.411 3.569 30 20 CHED Cc1cccc(Cl)c1OC(=O)c1cccc(CC#N)c1 736023787 SIYVLSYGUUPNBF-UHFFFAOYSA-N 285.730 3.934 30 20 CHED Oc1ccccc1/C=N\[C@H](Cc1ccccc1)C1CC1 736430634 CADMTZUZUWRSDY-MCRQTXEHSA-N 265.356 3.832 30 20 CHED CC[C@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1C#N 738602567 RXVPTFXOHVGRHH-VIFPVBQESA-N 290.388 3.508 30 20 CHED COCc1ccc(C=NNc2nc3ccccc3s2)cc1 741760185 SFTSNDJQYAEWPN-UHFFFAOYSA-N 297.383 3.889 30 20 CHED Cc1cccc(F)c1CNCc1ccc(O[C@@H](C)C#N)cc1 742380743 RXZULUPVQHCIJE-AWEZNQCLSA-N 298.361 3.715 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCCc3ccccc32)o1 745612178 TVKVNPYMUGZQIN-UHFFFAOYSA-N 294.358 3.822 30 20 CHED CC(=NOCc1cccnc1)c1cnc2ccsc2c1 746585985 PYFFHUKMAWFBIX-UHFFFAOYSA-N 283.356 3.632 30 20 CHED C=C(Cl)CN(Cc1ccc(C#N)cc1)CC(C)C 746658393 IZKOYFZUGAHKOL-UHFFFAOYSA-N 262.784 3.769 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)Cc2c(F)cccc21 748997124 FTPHYLJNKRNBIN-UXBLZVDNSA-N 273.694 3.697 30 20 CHED Cc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1 749004634 FJVDPTILROCZLZ-ZSOIEALJSA-N 252.288 3.957 30 20 CHED N#Cc1ccc(/C=C2\CCc3c(O)cccc3C2=O)s1 749006351 UAENWLKAJAUXKF-CSKARUKUSA-N 281.336 3.538 30 20 CHED O=C1/C(=C\c2ccsc2)Cc2c(F)ccc(F)c21 749583348 YXGUUPYNKHXZCI-UITAMQMPSA-N 262.280 3.849 30 20 CHED Oc1ccccc1/C=N/Cc1c(F)cccc1OC(F)F 751889999 HRKUOIGHHCKCPM-UFWORHAWSA-N 295.260 3.752 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(N3CCCCC3)cc2)C1 753588599 YBMQEPBSSKJKSC-IBGZPJMESA-N 297.446 3.803 30 20 CHED Cc1ccc2ncc(C=NNc3ccccc3Cl)n2c1 755473032 RAKBAHFQGGDRFQ-UHFFFAOYSA-N 284.750 3.742 30 20 CHED CC(C)(C)CC=NNc1nc2cc(F)c(F)cc2[nH]1 755631148 JKGYEUIITALOQG-UHFFFAOYSA-N 266.295 3.675 30 20 CHED CCc1ccc(C(C)=NNc2cc(C)ccn2)cc1 755902408 LLJIJQVWJGUDKF-UHFFFAOYSA-N 253.349 3.789 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 756975117 UFUJCNAWDPCZHW-CYBMUJFWSA-N 297.402 3.631 30 20 CHED C#CC[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1ccccc1 757577936 IKPJICBEYTXHMA-CQSZACIVSA-N 269.388 3.549 30 20 CHED C=C[C@@H](CC(=O)OCC(=C)Cl)c1ccccc1 758922335 XKZBEEPCZTXIOA-LBPRGKRZSA-N 250.725 3.642 30 20 CHED C=CCC(CC=C)C(=O)OCc1cc(-c2ccco2)on1 759006760 IDKIIHMTLZQHIB-UHFFFAOYSA-N 287.315 3.746 30 20 CHED Cc1cc(C)c(C=NNc2ccc3ccccc3n2)[nH]1 760224588 GAOJCZOXYSPOGL-UHFFFAOYSA-N 264.332 3.626 30 20 CHED C#CCCCCCOC(=O)c1cc2ccsc2[nH]1 760276060 GKZRYIMSOBAZOZ-UHFFFAOYSA-N 261.346 3.580 30 20 CHED C=CCCC(=O)COC(=O)c1cc2ccc(C(C)C)cc2[nH]1 761386777 WURZUPUIXZCGSD-UHFFFAOYSA-N 299.370 3.983 30 20 CHED N#CC1(OC(=O)CCc2ccc(-c3ccccc3)o2)CCC1 762099821 JWQOSUQLXZJLNI-UHFFFAOYSA-N 295.338 3.869 30 20 CHED C#CCCCCCc1nc([C@@H]2CCCCS2)no1 762388565 ZEDUCQYMKHHDCF-LBPRGKRZSA-N 264.394 3.764 30 20 CHED C=CCCC(=O)O[C@H](CC)C(=O)c1ccc(Cl)cc1 763964141 PTQMPYRUHKVZTG-CYBMUJFWSA-N 280.751 3.811 30 20 CHED FC(F)(F)CON=Cc1ccc(N2CCCCC2)s1 764844950 OBIYEVFOTKLTBX-UHFFFAOYSA-N 292.326 3.651 30 20 CHED CCOc1ccc([S@](=O)CCCCC(C)(C)C#N)cc1 766290282 PEOXKQFXPNQCEM-HXUWFJFHSA-N 293.432 3.913 30 20 CHED CCc1cnccc1C(=O)/C=C/c1csc([N+](=O)[O-])c1 766771656 IAKZYLCJSMLBQM-ONEGZZNKSA-N 288.328 3.510 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 767252665 QVEPBLRBAMCVIF-FZZIBODNSA-N 296.197 3.577 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(F)c1 769739229 DDMPZJWDYXUPDG-UHFFFAOYSA-N 275.666 3.570 30 20 CHED C#C[C@H](NCc1ccc(-c2ccsc2)cc1)[C@@H]1CCCO1 769787925 FCPFDZNFPJZWIE-ROUUACIJSA-N 297.423 3.686 30 20 CHED C[C@H](C#N)CNN=C(CC(C)(C)C)c1ccccc1 771102014 CMRMAWSGFMIGMN-CYBMUJFWSA-N 257.381 3.576 30 20 CHED C[C@H](C(=O)OCC#Cc1ccc(F)cc1)c1ccsc1 771363634 ROYKDRHMRVQBQU-LBPRGKRZSA-N 288.343 3.586 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CCC(CO)CC1 771760039 DVJPAWNXDCKYIU-ZHACJKMWSA-N 295.467 3.914 30 20 CHED CCCCCCCCN[C@@H]1CCN(CC)C[C@@H]1C 772948032 DHVCHRFBBCZGDN-JKSUJKDBSA-N 254.462 3.667 30 20 CHED C#CCCCCN[C@@H]1c2cccc(F)c2CC[C@H]1C 773042815 XBYJKKIKSUDBPG-DYVFJYSZSA-N 259.368 3.842 30 20 CHED CCC(C[C@H](C)CC)=NNc1cccc(S(C)(=O)=O)c1 776261945 YPOZLRFSMUJSLP-GFCCVEGCSA-N 296.436 3.704 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C)c1ccc[nH]1)c1ccccc1 777761811 BBBZKBTZSWKBNX-GDBMZVCRSA-N 282.387 3.942 30 20 CHED Clc1ccnc(NN=C2CCN(C3CCCC3)CC2)c1 777905287 FVQRIRZXBLQSOK-UHFFFAOYSA-N 292.814 3.541 30 20 CHED Cc1ccc2c(C)cc(NCc3ccc(C#N)cn3)nc2c1 780611360 ANXRUPIEEUKJLL-UHFFFAOYSA-N 288.354 3.730 30 20 CHED N#Cc1cccc(Sc2ncc(Cl)s2)c1 780912490 YLNRPXBZAKVYLF-UHFFFAOYSA-N 252.751 3.819 30 20 CHED Cc1cc(C(=O)OCc2ccccc2C(C)(C)C#N)co1 781378158 STWMMOKDIDIBMG-UHFFFAOYSA-N 283.327 3.746 30 20 CHED CSCc1cccc(C/N=C\c2cccc(O)c2O)c1 782193599 AJCGFPGZWHNYJF-YVLHZVERSA-N 287.384 3.580 30 20 CHED Cc1ccc2c(C(=O)OCCCC(C)(C)C#N)c[nH]c2c1 783133697 UQRYPNDTMNHSBZ-UHFFFAOYSA-N 284.359 3.963 30 20 CHED C/C(=C\C(=O)OCc1ccc(C#N)cc1Cl)C1CC1 784207395 CWFHDRPNOHYIJF-UXBLZVDNSA-N 275.735 3.611 30 20 CHED CON(Cc1ccccc1)Cc1ccc(C#N)cc1Cl 784353209 OYENPPMXTKUUAL-UHFFFAOYSA-N 286.762 3.775 30 20 CHED C=CCCC(=O)COC(=O)[C@@H](CC)Sc1ccccc1 785921205 CPEDRLFFGHCMTF-OAHLLOKOSA-N 292.400 3.636 30 20 CHED C[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(C)(C)C 787232742 ODGWJLOPWUHLDE-LRDDRELGSA-N 299.418 3.527 30 20 CHED CSC1(C(=O)OCC#Cc2cccc(Cl)c2)CCC1 787246169 DYKBDPYPVDIHPL-UHFFFAOYSA-N 294.803 3.520 30 20 CHED C#CCC1(OC(=O)CCc2c[nH]c3ccccc23)CCC1 788073734 PIELBABJXMKSRG-UHFFFAOYSA-N 281.355 3.590 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)c(F)c2)cc(Cl)n1 788716245 TVAVLEWUTLAQEZ-UHFFFAOYSA-N 299.683 3.907 30 20 CHED N#Cc1cccc(S/C=C/c2ccc([N+](=O)[O-])o2)c1 789923240 XQBPUXVAXCYKBX-VOTSOKGWSA-N 272.285 3.822 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC)Cc1cccc(Cl)c1 791069153 IIDWUZJYBJSUCR-HNNXBMFYSA-N 292.810 3.673 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C(=O)N1CCCC1)C(C)C 793543297 ZDFUCNXLNFLUNM-SJORKVTESA-N 294.483 3.748 30 20 CHED CC(=NNc1nccc2sccc12)c1ccnc(F)c1 794897597 UJWTUHIGAHFLCL-UHFFFAOYSA-N 286.335 3.667 30 20 CHED C=C(Cl)CN[C@@H](C)Cc1ccccc1C(F)(F)F 795800539 FOMKOMNDEXMUFQ-JTQLQIEISA-N 277.717 3.979 30 20 CHED N#Cc1cc2ccccc2nc1NC[C@H]1CCC(F)(F)C1 797437112 GMPVILDQRUZHSI-NSHDSACASA-N 287.313 3.954 30 20 CHED Cn1cnc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 798231034 DIUINYOLMQKUBA-HWKANZROSA-N 281.142 3.623 30 20 CHED COc1ccccc1CON=Cc1ccc(O)c(Cl)c1 799118251 WRZOFPAIZCEOMZ-UHFFFAOYSA-N 291.734 3.605 30 20 CHED Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2)cc1C#N 799351364 MYTONMJIQZGODY-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(=NNc1ccccc1)c1c(C)cc(C)cc1O 799865854 MVSOBGXYOKFJJP-UHFFFAOYSA-N 254.333 3.845 30 20 CHED CC(C)c1ccc(C(C)(C)NCCO[C@H](C)C#N)cc1 801932741 WUTKDTNEWSPPRF-CQSZACIVSA-N 274.408 3.563 30 20 CHED Cc1cccc(COC(=O)c2cc(C#N)ccc2Cl)c1 803831023 AJKXBXBTJOFRTA-UHFFFAOYSA-N 285.730 3.877 30 20 CHED C#C[C@@H](NC(=O)C[C@H](C)CC)c1ccc(Cl)cc1F 804421128 JDNCEYISTRXNFY-QMTHXVAHSA-N 281.758 3.706 30 20 CHED Cc1ccc(/C=C2\C[C@H](C(=O)O)c3ccccc3C2=O)cc1 806561348 UOQNGBDHIRLNPS-SHRNQRGKSA-N 292.334 3.833 30 20 CHED CC(C)n1cc(/C=C\C(=O)c2ccc(F)c(Cl)c2)nn1 806572037 UGFLCSMBAVYAJX-XQRVVYSFSA-N 293.729 3.548 30 20 CHED Fc1cccc(NN=Cc2ccc(C(F)(F)F)[nH]2)c1 807966933 TTZBLNOHQRBDDG-UHFFFAOYSA-N 271.217 3.619 30 20 CHED CC[C@@H]1CCC1=NN[C@H](C)CCc1ccc2c(c1)OCO2 807987452 GFXIOZLBMLLANF-TZMCWYRMSA-N 288.391 3.502 30 20 CHED C#Cc1ccc(CN(C)[C@@H](C)CCSCC)cc1 809591665 JLXYWMHUNVQHQW-AWEZNQCLSA-N 261.434 3.631 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccnc(Cl)c1C 810298083 KFVTYVFHOZUJKY-JTQLQIEISA-N 267.760 3.520 30 20 CHED N#Cc1ccc2c(c1)C(=NNCc1ccc(Cl)cc1)CC2 811644983 TVTXFRRBUOZHMX-UHFFFAOYSA-N 295.773 3.652 30 20 CHED CCCCOc1ccc(C=NNC[C@H]2CCSC2)cc1 811660805 AFGRVUCQEIPPSV-OAHLLOKOSA-N 292.448 3.542 30 20 CHED CON(C[C@H]1CCC[C@H](C)C1)C(=O)CCCCCC#N 812423370 QZAZDSGBKXUKMZ-GJZGRUSLSA-N 280.412 3.677 30 20 CHED C=CCCCCCCCNC(=O)N1CCCOC(C)(C)C1 812494045 BKUNNGQFPZNXHI-UHFFFAOYSA-N 296.455 3.724 30 20 CHED CN(Cc1ccccc1)CC(C)(C)C=NOCC1CC1 814244445 UEEJBANYKXNDHZ-UHFFFAOYSA-N 274.408 3.557 30 20 CHED CC(C)(C#N)CCOC(=O)/C(F)=C\C1CCCCC1 814542623 LKFKQFWVNNGSBQ-JLHYYAGUSA-N 267.344 3.903 30 20 CHED FC(F)(F)c1ccc(NN=C2C[C@H]3CC[C@H]2C3)nc1 814711140 DARIHYXVIIKAOC-IUCAKERBSA-N 269.270 3.688 30 20 CHED CC(C)[C@H]1CC(=NNc2cnc3ccccc3n2)CS1 814830928 VNEDGHWGVHVRSS-CQSZACIVSA-N 286.404 3.559 30 20 CHED Clc1c[nH]ccc1=NN=C1CC[C@H](c2ccccc2)C1 814868760 HYKWVVAAQPZXPV-ZDUSSCGKSA-N 285.778 3.893 30 20 CHED CC(CCCCCCC(=O)O)=NOC/C=C\Cl 814934386 SYZRVBWBCKECKX-DMUUDBIVSA-N 261.749 3.557 30 20 CHED C[C@H](NN=C1CC[C@@H](C(=O)O)C(C)(C)[C@H]1C)C(C)(C)C 814937907 RPHKJENXPDWPQJ-SRVKXCTJSA-N 282.428 3.524 30 20 CHED Cc1ccoc1COC(=O)C[C@H](CC#N)c1ccccc1 816105310 ZYRZYLWIISHHNN-HNNXBMFYSA-N 283.327 3.719 30 20 CHED C=CCC(F)(F)C(=O)NCC[C@@H](C)CC(C)(C)C 816366799 SEGBJRHMCVCTNO-LLVKDONJSA-N 261.356 3.776 30 20 CHED C=CCC(F)(F)C(=O)N(CC(=C)C)Cc1ccccc1 816534738 SMUWVVVFZCSXSR-UHFFFAOYSA-N 279.330 3.803 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H](C)CCCC)c1ccccc1 820591524 UBGBXVLYVZHVPN-HOCLYGCPSA-N 272.392 3.581 30 20 CHED CCOC[C@@H](C)Nc1ccc(OC(C)(C)C)c(C#N)c1 824721665 GTIIJCVCSAYATD-GFCCVEGCSA-N 276.380 3.572 30 20 CHED CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCOC2(CCC2)C1 828785616 MEHILMRJTCVNJF-OAHLLOKOSA-N 298.386 3.522 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 828795719 XAQNDQIKIGAQRH-SRCQZFHVSA-N 289.806 3.813 30 20 CHED C#CC1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1 831068435 WQQVZZGHGAWWGE-UHFFFAOYSA-N 276.767 3.526 30 20 CHED C[C@@H]1CC(=NNc2ccc(C(F)(F)F)cc2)c2nccn21 834964593 DQHGPWXEMADEDH-SECBINFHSA-N 294.280 3.683 30 20 CHED CC(=NNc1c(C)cccc1Cl)C1CCN(C)CC1 835012377 ZBLMVEAXQRDIRQ-UHFFFAOYSA-N 279.815 3.778 30 20 CHED Cc1ccc(NN=C2C[C@H](C)n3ccnc32)c(Cl)c1 835012393 SQWJIIOKMZRHPX-JTQLQIEISA-N 274.755 3.626 30 20 CHED COCc1cccc(C=NN[C@@H]2CCc3c(F)cccc32)c1 835021051 RKPDCXNVBIRWMU-GOSISDBHSA-N 298.361 3.583 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc2cc(C)ccc2n1 839041110 TUSPVHUENWJYSP-ZDUSSCGKSA-N 267.328 3.502 30 20 CHED Cc1ccccc1C1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CC1 839056260 ZUFDNCINBUYIKE-LSDHHAIUSA-N 283.371 3.652 30 20 CHED Cc1nc(C(=O)OCCC2(C#N)CCCCC2)sc1C 840501138 JMQODDWBFYNRBY-UHFFFAOYSA-N 292.404 3.781 30 20 CHED Cc1ccncc1/C=C/C(=O)OCCC1(C#N)CCCCC1 840531563 FYOQASIXAQBLOG-AATRIKPKSA-N 298.386 3.811 30 20 CHED CCn1nc(C)c(CSCCC2(C#N)CCCCC2)n1 842193001 VQFVSNRHKFWCFA-UHFFFAOYSA-N 292.452 3.704 30 20 CHED Cc1ccc(C[C@H](C#N)SC2=N[C@@H](C)CS2)cc1 842568500 QPNDWIWJQORUMY-WCQYABFASA-N 276.430 3.654 30 20 CHED CCN(CC)c1ccc(/C=N\[C@@H]2CCS[C@H]2C)c(O)c1 843264719 RPGSMUNRHJDFBS-GKXUPHCXSA-N 292.448 3.551 30 20 CHED Cc1cc(NC(=O)/C=C\C2CCCC2)c(C#N)cc1N(C)C 843597042 HCQQOGQLOVLKIW-HJWRWDBZSA-N 297.402 3.618 30 20 CHED CCCCCCCCC(=O)N(C)c1ccc(C#N)nc1 844825680 OBPCVBOBRWBREY-UHFFFAOYSA-N 273.380 3.667 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(N3CCCC3)c2)C1 851083128 FSVUMRFUCGRTQD-PBHICJAKSA-N 298.386 3.526 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)[C@@H]1C[C@H]1c1cccnc1 851145261 WDENTOMUEIBQGO-QMCVQRASSA-N 285.387 3.863 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccccc1OC1CC1 851204427 QXUFNDJKSHTYDK-GFCCVEGCSA-N 287.359 3.713 30 20 CHED C=C[C@H](OC(=O)[C@@H](C)OCC(C)C)c1ccccc1 851453477 RHWARSJLDDBRFO-HIFRSBDPSA-N 262.349 3.518 30 20 CHED C[C@@H]1c2ccc(Cl)n2CCN1CCc1ccc(C#N)cc1 851870508 GOOKWEFJWVJYRA-CYBMUJFWSA-N 299.805 3.632 30 20 CHED CC(C)c1nc(C=NN2CCCC[C@@H]2C)c2ccccn12 853379246 HHPMYVOZWAWWHZ-AWEZNQCLSA-N 284.407 3.666 30 20 CHED c1cncc([C@H]2CCCC(=NOCC3CCC3)C2)c1 853441243 RHNUXFLSNYHCPY-AWEZNQCLSA-N 258.365 3.912 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CC[C@H]2CC2(Cl)Cl)C1 855436858 MOPGEYFFTHLVMH-NEPJUHHUSA-N 290.234 3.775 30 20 CHED C#CCCCC(=O)N1c2ccccc2C(C)(C)[C@H]1C 855906693 QIJFFIZBMVNPIX-CYBMUJFWSA-N 255.361 3.503 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNc1ncc(Cl)cn1 857221355 ZXHSZUYKYMEWBS-NXEZZACHSA-N 266.776 3.744 30 20 CHED C[C@]1(C(=O)OCc2ccc(C#N)cc2F)C[C@H]2CC[C@H]1C2 860189214 YUMUITPKKQYPTC-YLVFBTJISA-N 287.334 3.567 30 20 CHED C#C[C@@H](OC(=O)CC(C)(C)CC(C)=O)c1ccc(C)cc1 860962529 KHPGWVVSQYEODT-MRXNPFEDSA-N 286.371 3.608 30 20 CHED C#CCC1(C(=O)NCCCCCCC(C)=O)CCCCC1 862077176 HCPREVGFCXOPNG-UHFFFAOYSA-N 291.435 3.616 30 20 CHED Cc1cc(C)c(C#N)c(SCC2(Br)CC2)n1 863224245 YELLGWUNPUWHMB-UHFFFAOYSA-N 297.221 3.590 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccc(O)cc1 864028875 KBDHIDRVCGBYQE-UHFFFAOYSA-N 274.751 3.559 30 20 CHED Cc1cccc2sc(NN=C[C@@H]3CCSC3)nc12 872419826 WSEXBBJEZKLVFN-JTQLQIEISA-N 277.418 3.756 30 20 CHED C=CCCC[C@H](N[C@H]1CC[C@H](O)CC1)c1ccccc1 883207933 VVIPPEVLFANFEK-BZSNNMDCSA-N 273.420 3.977 30 20 CHED CCN(C(=O)/C=C/c1ccccc1C#N)c1ccccc1C 892852651 DXFMBOFAHNVCJL-OUKQBFOZSA-N 290.366 3.933 30 20 CHED C=C1CCC(c2nc(Cc3csc(C)n3)no2)CC1 895968001 YOSWVESSVHTZDA-UHFFFAOYSA-N 275.377 3.639 30 20 CHED C=C1CCC(c2nc(-c3ccc(C)nc3)no2)CC1 896014553 FOCCXNJMYOPYJL-UHFFFAOYSA-N 255.321 3.654 30 20 CHED C=C1CCC(c2nc([C@H]3CCOC(C)(C)C3)no2)CC1 896458666 MHGBGCDQYDHHQE-ZDUSSCGKSA-N 276.380 3.956 30 20 CHED C=CCOc1cccc(CN[C@@H](c2ccncc2)C2CC2)c1 898325942 RQUKDAKMPKHREH-LJQANCHMSA-N 294.398 3.887 30 20 CHED O=C(O)c1ccc(NN=C2CC3(CCCC3)C2)cc1F 901249587 ZOUVXIFXZZZJCL-UHFFFAOYSA-N 276.311 3.646 30 20 CHED COC1(C(=O)N(O)Cc2cccc3ccccc23)CCCC1 901371351 SCFBSHKQELXNAJ-UHFFFAOYSA-N 299.370 3.517 30 20 CHED COC[C@H](SCC1(C#N)CCC1)c1ccccc1 901666259 CXOFXCGTWXVENA-AWEZNQCLSA-N 261.390 3.801 30 20 CHED C[C@H](N[C@@H](c1ccccn1)C1CC1)c1cccc(C#N)c1 903336247 WUMBNGPETZPPDA-SCLBCKFNSA-N 277.371 3.755 30 20 CHED C=C1CCC(C(=O)Nc2ccc3[nH]c(=O)c(C)cc3c2)CC1 908459020 BGWCLOJQIMOAGV-UHFFFAOYSA-N 296.370 3.521 30 20 CHED C/C(C=NNc1nc(C)cc(C)n1)=C\c1ccccc1 916241654 CTDUVAFVDJBMBN-NPHAMFQZSA-N 266.348 3.595 30 20 CHED CCOc1ccc(C(=O)/C=C2/COc3ccc(F)cc32)cc1 918155550 URKRIQQXMJRKDQ-LCYFTJDESA-N 298.313 3.883 30 20 CHED Cc1ccsc1/C=C1\COc2c(F)cc(F)cc2C1=O 920065781 AZCNMOYGYRBCJD-RUDMXATFSA-N 292.306 3.993 30 20 CHED Cc1ccc(C=NN[C@@H](C)c2ccccc2)cc1C 920382725 MVHLRPMOZNYCBH-HNNXBMFYSA-N 252.361 3.988 30 20 CHED N#Cc1ccccc1COC(=O)Cc1cc2ccccc2o1 920657371 GUJZNJONOAGOJJ-UHFFFAOYSA-N 291.306 3.590 30 20 CHED C[C@@H]1Cc2cc(CN[C@H](C)c3cccc(C#N)c3)ccc2O1 921802630 ANUIHALDIQLDJA-ZIAGYGMSSA-N 292.382 3.732 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)OCCC(C)(C)C#N 923915118 ZCRJHFMKPYHQSB-CYBMUJFWSA-N 259.349 3.582 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H]1CCc2ccccc21 929742706 ABCWCWYLNYHIML-CJNGLKHVSA-N 257.377 3.735 30 20 CHED CSC[C@@H]1CCCN1CCCCC1(C#N)CCC1 929854030 LJKWHRIOBGDMAM-AWEZNQCLSA-N 266.454 3.678 30 20 CHED CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCCCCC1(C#N)CCC1 930628531 NNVLOSDHNYGQLP-OAGGEKHMSA-N 290.451 3.644 30 20 CHED N#CCCCCN(Cc1nc2ccccc2s1)C1CC1 932399841 DHIBIWRGQWHOKD-UHFFFAOYSA-N 285.416 3.955 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccsc2C(F)F)C1 933014366 PNDJMZURSRKLLM-XPTSAGLGSA-N 298.358 3.888 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnc(Cl)cc1C 934908544 HHTQKWOSTXWRJB-SNVBAGLBSA-N 252.745 3.584 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(OC(C)(C)C)cc1 1116621472 VUZXNOYBVWHUHW-HIFRSBDPSA-N 277.408 3.716 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(Cl)c1F 1117818984 GBFVNWSKHXCBBB-UHFFFAOYSA-N 269.747 3.698 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1118851485 BOJMNQKSRIZAET-SNVBAGLBSA-N 296.773 3.986 30 20 CHED N#CC[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccco1 1123461275 AAPZGCSMDCFOGA-CQSZACIVSA-N 286.331 3.642 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1csc(C#N)c1 1124135284 VCZKDSWPKDLJGL-LLVKDONJSA-N 264.394 3.566 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H](C(C)C)C2)n1 1162461000 SARZYXAZBLDCJQ-UKRRQHHQSA-N 257.381 3.888 30 20 CHED Cc1nsc(NCC[C@H]2CCCC[C@@H]2C)c1C#N 1162516101 YDTBEQYTSCOSEI-CMPLNLGQSA-N 263.410 3.952 30 20 CHED N#Cc1cnc(N[C@@H]2CCC[C@H]2Cc2ccccc2)c(F)c1 1162585036 XMMFCUMSIFWNML-DOTOQJQBSA-N 295.361 3.916 30 20 CHED N#Cc1cc(=NC(C2CCCC2)C2CCCC2)cc[nH]1 1164195786 NUQFMYFSYBFFAN-UHFFFAOYSA-N 269.392 3.536 30 20 CHED CCc1cccc(N(C)Cc2cc(C#N)ccc2OC)c1 1194922593 YNAAUPHJRFTLMW-UHFFFAOYSA-N 280.371 3.766 30 20 CHED C=CCCOC(=O)C(F)(F)c1ccc(Cl)cc1 1252044898 GBTOEFITGWREBV-UHFFFAOYSA-N 260.667 3.551 30 20 CHED C#CCN(CC1CC1)Cn1ccc(=S)c2ccccc21 1253578773 BGKBWDDVWPWWIJ-UHFFFAOYSA-N 282.412 3.673 30 20 CHED C=C(C)C(C)(C)c1nnc(COc2ccccc2F)o1 1261572664 VDZSRSDHSCRUEJ-UHFFFAOYSA-N 276.311 3.641 30 20 CHED CCCCCCCNC(=O)NCCCc1nc(C)cs1 1261787676 WYFRWOWAJBYRHF-UHFFFAOYSA-N 297.468 3.654 30 20 CHED CCc1nc(C#N)cc(NCC[C@@H]2CCCC[C@H]2C)n1 1306970389 QKEWYSOJJLUNEA-OLZOCXBDSA-N 272.396 3.539 30 20 CHED C=CCC[C@@H](NC(=S)NCC1CCC1)c1ccccc1 1319312247 YSQSPWDHLBGLMU-MRXNPFEDSA-N 288.460 3.958 30 20 CHED Fc1cnc(NN=Cc2ccc(-c3ccccc3)s2)nc1 1319539368 MMAYMGLVEDNKJG-UHFFFAOYSA-N 298.346 3.790 30 20 CHED N#Cc1cc(C(=O)NCc2ccc(C3CCC3)cc2)cs1 1325197757 SZTLNCHYPKBFNK-UHFFFAOYSA-N 296.395 3.817 30 20 CHED C=CCOc1ccc(Cc2nnc(CC(C)(C)C)o2)cc1 1327353885 MMSLSWFTXICASR-UHFFFAOYSA-N 286.375 3.814 30 20 CHED CC[C@@H](C)n1nccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 1338746616 KKEBFPFALGFYDB-CHWSQXEVSA-N 297.358 3.644 30 20 CHED CC(C)Oc1ccc(CCNc2cccc(CC#N)n2)cc1 1342844615 YKYGRKHWJDRCOP-UHFFFAOYSA-N 295.386 3.589 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc([C@H]2CCOC2)cc1 1343440747 PLTQZFDWSHVQQP-ZFWWWQNUSA-N 274.360 3.698 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccsc1C(F)F 1343503189 NGICSJFJIJNUMO-SSDOTTSWSA-N 259.277 3.535 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(CC)cn1 1345897302 IJADHMWTWUBTGJ-AWEZNQCLSA-N 273.380 3.607 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(C)nc1C 1347634391 NQEOHBSIJDSAFE-UHFFFAOYSA-N 297.406 3.622 30 20 CHED Cc1cc(NCCc2c[nH]c3cc(F)ccc23)ncc1C#N 1458138595 BHPAEEVZOVZAPA-UHFFFAOYSA-N 294.333 3.537 30 20 CHED CCCOc1ccc(CN2CCC[C@H](C#N)C2)cc1C 1462574556 WITSOEQUTWJGKJ-MRXNPFEDSA-N 272.392 3.519 30 20 CHED Cc1cc(Oc2cnc3c(F)cccc3c2)ncc1C#N 1472838745 AUBKAVRAEZJSEC-UHFFFAOYSA-N 279.274 3.741 30 20 CHED CN(C(=O)c1ccsc1C#N)c1nc2ccccc2s1 1524154134 UKODDDIUHGCPBF-UHFFFAOYSA-N 299.380 3.506 30 20 CHED CC1(CC(=O)[C@H](C#N)c2cccc(F)n2)CCCCC1 1524704917 MGKTUVJATXUMLK-GFCCVEGCSA-N 274.339 3.757 30 20 CHED CCc1ccc(F)cc1C(=O)N(C)Cc1cccc(C#N)c1 1533063830 IHXGGUTYZAQTAU-UHFFFAOYSA-N 296.345 3.532 30 20 CHED CC(C)N(C(=O)c1csc(C#N)c1)c1cccc(F)c1 1539756216 XZKWWMVKKNITLT-UHFFFAOYSA-N 288.347 3.814 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)O)C2 1573365243 DOJPRRYPVIOGDZ-XUWVNRHRSA-N 294.439 3.632 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 1583671315 NKEJPSVMHUXYSV-HIFRSBDPSA-N 288.366 3.642 30 20 CHED CCCCCCCCCN(C)C(=O)c1c[nH]c(C(=O)O)c1 1595705315 VSLREOQTMJYVPL-UHFFFAOYSA-N 294.395 3.536 30 20 CHED C=C(C)C[C@H](C)c1nc(-c2cccc(C(=O)O)c2)no1 1609226242 JWRKQQLZLKPOKY-JTQLQIEISA-N 272.304 3.505 30 20 CHED N#Cc1ccnc(CSCc2c(F)cccc2F)c1 1613840115 SHVQSJCVNSOZCZ-UHFFFAOYSA-N 276.311 3.665 30 20 CHED Cc1csc(-c2ccc(Nc3cc(C#N)cnn3)cc2)n1 1642183149 LTOOUFADDQGOAO-UHFFFAOYSA-N 293.355 3.524 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@@H]2CCC2CCCC2)n1 1642437439 LJMDMULCBJMISL-MRXNPFEDSA-N 284.407 3.596 30 20 CHED Cc1ccc2c(c1F)N(CCC(C)(C)C#N)CCC2 1643340296 KYEAAEQHRQBNGS-UHFFFAOYSA-N 260.356 3.827 30 20 CHED CCc1ncc(CSc2cccc(F)c2C#N)o1 1643958763 BRMALAJBTZOZKI-UHFFFAOYSA-N 262.309 3.540 30 20 CHED CC(C)CN(Cc1ccccc1)c1ncc(C#N)cc1F 1650694142 XGMSWFSTKLZJGC-UHFFFAOYSA-N 283.350 3.755 30 20 CHED N#Cc1cccc(Sc2nc(Cl)cs2)c1 1651608236 NWLCJRVAARAHCB-UHFFFAOYSA-N 252.751 3.819 30 20 CHED Cc1cc(N[C@@H](CCC#N)c2ccccc2)ncc1C#N 1651665005 XLRBNZUHBHLFEJ-INIZCTEOSA-N 276.343 3.719 30 20 CHED Cc1cccc(C[C@@H](C)Nc2cccc(OCC#N)c2)c1 1658800083 WXAWYCGIMCXARE-OAHLLOKOSA-N 280.371 3.941 30 20 CHED C=CC[C@@H]1CCC(=NNc2ccccc2C(=O)O)C1 1776031237 UZMOFFCSRHLACV-LLVKDONJSA-N 258.321 3.529 30 20 CHED O=C(O)c1cccc(NN=C2C[C@@H]3CCCC[C@H]3C2)c1 1776037780 BMUFAAYNWIZQMU-RYUDHWBXSA-N 272.348 3.753 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc(F)c(C(=O)O)c1 1776062542 YYZHNMWHRZCYDU-GHMZBOCLSA-N 278.327 3.748 30 20 CHED O=C(O)c1cc(NN=C2C[C@@H]3CCCC[C@@H]3C2)ccc1F 1776064621 WTHKMCAMYBIUTJ-PHIMTYICSA-N 290.338 3.892 30 20 CHED C=CCCCCCN1CCC([C@H]2CCC[C@@H]2C(=O)O)CC1 1776173419 UDHFIODJHKAMMS-SJORKVTESA-N 293.451 3.946 30 20 CHED C=CCc1ccccc1CNC[C@H](CC(=O)O)C(C)(C)C 1776189661 OGOUOCDHMVFJGG-INIZCTEOSA-N 289.419 3.642 30 20 CHED C=CCOc1cccc(/C=C2/SC(=S)N=C2O)c1 2999584 RLHPIBCEINBSOF-DHZHZOJOSA-N 277.370 3.581 30 20 CHED Cc1cccc(/N=C2\NN=C(c3cc(C)[nH]c3C)CS2)c1 23622626 CEWHMDCQFDVQPJ-UHFFFAOYSA-N 298.415 3.668 30 20 CHED CC(C)(CNc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 25503391 WGQOHEJAPDOQGE-UHFFFAOYSA-N 295.342 3.856 30 20 CHED C[C@H](NC(=O)NCCCC1CCCC1)c1ccc(C#N)cc1 31105685 ONEYOYNPZUSGSB-AWEZNQCLSA-N 299.418 3.889 30 20 CHED N#Cc1cccc(CNc2ccc(Cl)cc2F)c1 35039970 ZZABLAUVOMOYAD-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 36991945 QABSILZTXCHSQM-UONOGXRCSA-N 280.371 3.984 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 37299707 PQBBPEOOWZJYPG-NSHDSACASA-N 267.288 3.640 30 20 CHED N#Cc1cccc(COc2ccc(F)cc2Cl)c1 37855051 VLHJAEDPAAZJMJ-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#Cc1ccc(CSc2ncccc2Cl)cc1 43895674 XTMXAJANDVQGHC-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1C 45218052 LWEMLVLNKAJVIR-AWEZNQCLSA-N 278.355 3.666 30 20 CHED N#Cc1ccc(OCCOc2ccccc2)c(Cl)c1 48484969 FGHAFISVRXXCKK-UHFFFAOYSA-N 273.719 3.669 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)c(C)c1 49490010 JZDRLJCQXRGXLM-UHFFFAOYSA-N 264.328 3.736 30 20 CHED Cc1ccc(C#N)cc1NCC(=O)Nc1ccc(Cl)cc1 50212777 OUDCBVFXCIKTLS-UHFFFAOYSA-N 299.761 3.571 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc(F)c(Cl)c1 52027922 BQQCKGAGPLMVFC-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC(C)c1cccc(NC(=O)c2sccc2C#N)c1 52028827 ZBYZQGSGLMXQED-UHFFFAOYSA-N 270.357 3.995 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)Cc2ccccc2F)c1 54387631 AJAJCBARERYYMC-ZDUSSCGKSA-N 296.345 3.560 30 20 CHED C=C(C)CN(CC)C(=O)NCc1c(C)cc(C)cc1C 60566105 IGPYUKYWFCDEFF-UHFFFAOYSA-N 274.408 3.719 30 20 CHED N#Cc1ccc(F)c(CNC2(c3ccccc3)CCC2)c1 64337777 TWAXKJAWBVGPFA-UHFFFAOYSA-N 280.346 3.866 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2cnn(CC)c2)c1 65999805 WQCJDEUNCAQYAL-CMDGGOBGSA-N 284.359 3.588 30 20 CHED C=CCCC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 67158266 GAJVYICBYSZMPT-CQSZACIVSA-N 297.402 3.544 30 20 CHED CC(C)c1cccc(N(C)C(=O)c2ccc(C#N)cc2)c1 67763303 COGMHCSGDGZKAG-UHFFFAOYSA-N 278.355 3.958 30 20 CHED CC[C@H]1CCC[C@H](Nc2cccc(OCC#N)c2)C1 71113562 DBWNPFYTPPXKMH-KBPBESRZSA-N 258.365 3.970 30 20 CHED COc1ccc(/C=C2\COc3cc(C)cc(C)c3C2=O)cc1 72031036 AWTRKCPFHLJNKD-XNTDXEJSSA-N 294.350 3.971 30 20 CHED N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccc1F 76826484 IHVZVXNHIFOVEI-GJZGRUSLSA-N 298.292 3.579 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccoc2)c1 76831318 SPPAIGOVISIWKJ-UHFFFAOYSA-N 291.306 3.701 30 20 CHED C[C@H](CNc1c(C#N)nnc2ccccc12)c1ccccc1 77187448 UJZCLAXKVLWQHD-CYBMUJFWSA-N 288.354 3.717 30 20 CHED Cc1ccc(C(=O)/C=C/c2scnc2C)cc1C 78692068 RMBCAIHOTSLPFE-VOTSOKGWSA-N 257.358 3.964 30 20 CHED Cc1cc(/C=C/C(=O)c2ccsc2)ccc1-n1cncn1 78694089 AWXXRCZFDFGVJI-HWKANZROSA-N 295.367 3.533 30 20 CHED N#Cc1ccc(NCCc2ccc3c(c2)CCO3)cc1Cl 78746386 INFHCCIGRWHAJL-UHFFFAOYSA-N 298.773 3.801 30 20 CHED COCCOc1ccccc1/C=C/C(=O)c1ccc(C)o1 83535722 BGAMFAHHBJFDOE-CMDGGOBGSA-N 286.327 3.509 30 20 CHED Cc1ccc([N+](=O)[O-])c(C)c1NCc1cccc(C#N)c1 85288970 HAZZZKSOUXEWDG-UHFFFAOYSA-N 281.315 3.695 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)N(C)[C@H](C)CC#N 86283502 YTWFZPWWDFRLAK-CYBMUJFWSA-N 289.379 3.548 30 20 CHED C=CCCOCCN[C@H](C)c1cc2ccccc2o1 90883783 GPQDBSQTMXMLJB-CYBMUJFWSA-N 259.349 3.676 30 20 CHED Cc1ccccc1[C@@H]1CN(Cc2cc(C#N)cs2)CCO1 93478574 IAZXLCRNKWIYTK-KRWDZBQOSA-N 298.411 3.502 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)s1 96920058 NQJJIAUFVJVNAV-RQOWECAXSA-N 294.278 3.621 30 20 CHED C=C(Cl)CN(Cc1ccco1)Cc1ccccc1O 96970878 ZQOSAEWUZCKXNO-UHFFFAOYSA-N 277.751 3.740 30 20 CHED Cc1ccc(CN(CCCCC#N)C(C)C)s1 102398059 VAUKEQITQSGQPE-UHFFFAOYSA-N 250.411 3.961 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CCCc2ccccc2)C1 116811693 FIEFVMMQTADPCI-MAUKXSAKSA-N 284.403 3.598 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1cc(C)sc1C 116940207 ZPHPZZRMEROVCM-GXSJLCMTSA-N 266.410 3.690 30 20 CHED C=CCCC(=O)N(C)[C@H]1CCCc2nc(CC)sc21 118962767 DJQDNDBTBOMOLH-LBPRGKRZSA-N 278.421 3.508 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(O)c(Cl)c2)c1 119257544 YEJRGKNFCUWGDO-FNORWQNLSA-N 288.730 3.950 30 20 CHED COc1ccc2cc(CN3CCC(C#N)CC3)ccc2c1 123675866 DCVUWUXVACNQMI-UHFFFAOYSA-N 280.371 3.584 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(C#N)ccc1OC(C)C 123825655 BMYSSEWNVZMSES-GUYCJALGSA-N 286.375 3.720 30 20 CHED Cc1nnc([C@@H](C)S[C@@H](C)c2ccc(C#N)cc2)o1 125634745 AEPOMXIXINFBCV-VHSXEESVSA-N 273.361 3.805 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCCc2cccnc21 126243216 JEMXBSYILPLCBK-OAHLLOKOSA-N 267.307 3.582 30 20 CHED Cc1cc(F)c(C(=O)Nc2ccc(F)c(C#N)c2)cc1F 128037109 VYIMRQYDOQRROB-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1cccc(C#N)c1 130260584 XLUKSXQUXFCXKS-QGZVFWFLSA-N 265.360 3.536 30 20 CHED COCc1ccc(/C=C2/Cc3c(C)cccc3C2=O)cc1 132652146 USUCKZWQDIKWKX-YBEGLDIGSA-N 278.351 3.964 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2[nH]c(CC)cc(=O)c2c1 135168842 YSLJCPVSEURCTQ-SFHVURJKSA-N 298.386 3.631 30 20 CHED CCCCc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 136189126 MHEJHTLUKNEVJT-MRXNPFEDSA-N 258.365 3.908 30 20 CHED C=CCn1nc(-c2ccccc2)nc1-c1ccccc1 138765602 ZYHJJLNEQYHYGY-UHFFFAOYSA-N 261.328 3.798 30 20 CHED C=CCOC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 140413488 LNBSHUROLUNPTR-UHFFFAOYSA-N 279.295 3.693 30 20 CHED Cc1cc(Oc2cccc(C#N)n2)ccc1Br 148817038 DAQAEDRHZTWNMG-UHFFFAOYSA-N 289.132 3.817 30 20 CHED C#CCCCCNC(=O)Nc1ccc(N2CCCC2)cc1C 150981075 ZFYSLICHSHLINE-UHFFFAOYSA-N 299.418 3.520 30 20 CHED CCc1ccc(CC(=O)N(CC)c2ccc(C#N)cc2)cc1 151873768 NNWGZHRKBLBCLI-UHFFFAOYSA-N 292.382 3.716 30 20 CHED Cc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)ccc1F 153521212 YRKDJUCQKZPPPD-QGZVFWFLSA-N 296.345 3.909 30 20 CHED C=CCN(C)C(=O)c1ccccc1Nc1cccc(OC)c1 154178703 URNFFCJXAGDGAW-UHFFFAOYSA-N 296.370 3.697 30 20 CHED C=C(C)CNC(=O)C1(c2ccc(OC)cc2)CCCCC1 154328377 WDUDWAAWFLVYHO-UHFFFAOYSA-N 287.403 3.589 30 20 CHED CCCN(Cc1ccc(O[C@H](C)C#N)cc1)CC1CC1 154681140 FSMNHWJYNFLSMX-CQSZACIVSA-N 272.392 3.599 30 20 CHED C=CCN(CCC(C)(C)C#N)Cc1ccccc1F 157761048 QRFUMRFGUXMVCY-UHFFFAOYSA-N 260.356 3.754 30 20 CHED N#Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(Cl)c1 162914611 XWXSNPHPHBKFAR-CJNGLKHVSA-N 274.795 3.976 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)CCc1ccccc1F 173424935 XXVJRICVYHRBRN-CQSZACIVSA-N 277.383 3.819 30 20 CHED C[C@H](OC(=O)C1CCCCC1)c1ccc(C#N)cc1 175805085 QMZIMPUOFOOZPY-LBPRGKRZSA-N 257.333 3.743 30 20 CHED C[C@H](C(=O)N(CCC#N)CC1CC1)c1ccc(Cl)s1 176238299 YEBUBTKJLARHCK-JTQLQIEISA-N 296.823 3.657 30 20 CHED C=CCCCC(=O)Nc1cc(OC)ccc1OC(F)F 177537184 QRJSZOUWOCFCMQ-UHFFFAOYSA-N 285.290 3.591 30 20 CHED CC[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)cc1 177658182 CQZSRJBCHXSWBI-KRWDZBQOSA-N 290.366 3.930 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1 181303739 QFWXJZUAIVJPJL-LBPRGKRZSA-N 281.315 3.621 30 20 CHED Cn1cc(/C=C/C(=O)c2ccco2)c(C2CCCCC2)n1 181452950 DOHNJBDEWCPMAK-MDZDMXLPSA-N 284.359 3.957 30 20 CHED C#CCCCN[C@H](C)c1cc2cccc(OC)c2o1 181833193 UQNFZHHNFAPOKM-GFCCVEGCSA-N 257.333 3.505 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](C)c1ccc2ccccc2c1 183880209 BZJKEVXHQRJYDN-CXAGYDPISA-N 280.371 3.752 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccccc2OC(F)F)c1 184773119 CGYZYLKVTWBLAD-VOTSOKGWSA-N 289.281 3.888 30 20 CHED Cc1cnc(NCc2cccc(OCCCC#N)c2)s1 185858692 KLQILXSGCSJQIX-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@H](C)c1ccccc1 187159742 NIIWYGNWXHLFFA-HNNXBMFYSA-N 293.366 3.831 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)Cc1ccc(C)s1 188437382 BVGMUXBLYZTKAU-IAQYHMDHSA-N 265.422 3.706 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC(C)(C)C1CCCC1 189589609 OKBPCGIKWGKQRZ-QGZVFWFLSA-N 281.440 3.548 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1OC(F)F 189999398 PAKPHVPUBADULO-HNNXBMFYSA-N 283.318 3.507 30 20 CHED C=C(C)CN(CC)C(=O)C1(Cc2ccccc2F)CC1 190393633 SQHYEEHKMAJXNV-UHFFFAOYSA-N 275.367 3.573 30 20 CHED C[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(C#N)n(C)c1 191225257 PFSLSXUPPPZVAU-LBPRGKRZSA-N 287.794 3.743 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(CC#N)cc1 192837164 XLQMRYAMYRHALR-CZUORRHYSA-N 285.391 3.795 30 20 CHED Cc1cc(C(=O)N[C@@H](C)CC#N)c(C)n1C1CCCCC1 194653709 RATKRNBKHRDMLW-LBPRGKRZSA-N 287.407 3.642 30 20 CHED C=CCOc1ccccc1C(=O)N(C)CC1CCCC1 195274509 JWRDNBSMRLUGLV-UHFFFAOYSA-N 273.376 3.514 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)Cc1cccc(C#N)c1F 218075236 IVWQHIDWNLIEND-IUODEOHRSA-N 260.356 3.708 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 228836650 XUEXLJDRXXOSAK-AWEZNQCLSA-N 256.349 3.517 30 20 CHED N#Cc1cccc(Sc2ccccc2[N+](=O)[O-])c1 229736879 UFKMQDWRZMQCIH-UHFFFAOYSA-N 256.286 3.618 30 20 CHED CC1(C)CCC(c2noc(CSCC#N)n2)CC1 232777361 UQLAATSPHIALGI-UHFFFAOYSA-N 265.382 3.510 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 245736689 DFUHWTROIUHVRD-UONOGXRCSA-N 298.390 3.588 30 20 CHED CC(=NOCCOC(C)(C)C)c1cc2ccccc2o1 255454722 MCCWMECBJCXNOG-UHFFFAOYSA-N 275.348 3.989 30 20 CHED C=C1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 264176420 NAXNKPXBILYWJB-UHFFFAOYSA-N 277.795 3.841 30 20 CHED C=CCC(CC=C)C(=O)NCC1(c2ccccc2OC)CC1 268168091 INOXVRXFLPMFDI-UHFFFAOYSA-N 299.414 3.611 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 268191391 KTWCEAIXDQOBMN-SJORKVTESA-N 269.388 3.502 30 20 CHED CCc1ccc([C@@H](C)NC(=O)N2CCC(C)(C#N)CC2)cc1 272364132 CGODXQCMIQWHRU-CQSZACIVSA-N 299.418 3.645 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc2ccc(O)cc12 276243622 OIQDNXHCEFVODG-SFHVURJKSA-N 299.370 3.713 30 20 CHED C=CCCN(C)C(=O)[C@H](C)c1ccc(Br)cc1 276415242 PSNKCVOOCNJAGT-LLVKDONJSA-N 296.208 3.587 30 20 CHED N#Cc1ccc(SCC(=O)CC2CC2)c(Cl)c1 278773378 TWPVRMDRODLCKG-UHFFFAOYSA-N 265.765 3.673 30 20 CHED CCCc1nc(C)c(CNc2ccc(C#N)cc2F)o1 292161784 DAISHLSAQBUIEN-UHFFFAOYSA-N 273.311 3.558 30 20 CHED CC#CCCCC(=O)NCc1cccc(SCC)c1 292398073 OBZITWGOJIPQRY-UHFFFAOYSA-N 275.417 3.608 30 20 CHED Cc1nc(NCCCC(F)(F)F)c(Cl)cc1C#N 292814475 ZHAKWPGRDYKMCB-UHFFFAOYSA-N 277.677 3.670 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cc(F)cnc1Cl 295103192 KQOYJATVGQVCNH-ZJUUUORDSA-N 256.752 3.564 30 20 CHED C[C@@H](CCC#N)N(C)CCc1cccc(Br)c1 298069901 GWHMIJKUXUABGE-LBPRGKRZSA-N 295.224 3.616 30 20 CHED N#Cc1nccnc1SCc1c(Cl)cccc1Cl 301162617 HRAFERDCQNPZAW-UHFFFAOYSA-N 296.182 3.947 30 20 CHED CC(C)CC1CCN(c2ccc(Cl)c(C#N)n2)CC1 301675280 RYPAOWSCNBNFMN-UHFFFAOYSA-N 277.799 3.869 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H]2CCC[C@H](C)C2)cc1 303906200 ZUEQVJSIWKXYTR-UONOGXRCSA-N 259.397 3.548 30 20 CHED N#Cc1ccc(CN2C[C@H]3CCCC[C@H]3C2)c(Cl)c1 311968119 AOAMDDLSTSLKEI-OKILXGFUSA-N 274.795 3.834 30 20 CHED C[C@H]1C[C@@H](C)O[C@@H]1C(O)=Nc1ncc(-c2ccccc2)cn1 328643732 AJSKFIUQCJJQSX-ZOWXZIJZSA-N 297.358 3.545 30 20 CHED CC(C)c1nnc(C/N=C(/O)[C@@H]2CC23CCCC3)s1 329798121 HORIYNCNFVQEPS-JTQLQIEISA-N 279.409 3.698 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H]1CCCc2n[nH]cc21 329814198 UFAUCOFRIVSCOM-DGAVXFQQSA-N 287.407 3.755 30 20 CHED O/C(Cc1cc[nH]n1)=N/C1(c2ccccc2)CCCCC1 329896100 KTNYLSDEQDWGIT-UHFFFAOYSA-N 283.375 3.768 30 20 CHED O/C(=N/[C@H]1CCCc2occc21)N[C@@H]1C[C@H]1c1ccccc1 330245400 DRVVCMZOMSSOLC-HRCADAONSA-N 296.370 3.717 30 20 CHED Cc1nc(-c2nc([C@H]3CCC[C@@H](C)C3)no2)ccc1C#N 331691892 SVMGCXVNSBAIPQ-PWSUYJOCSA-N 282.347 3.605 30 20 CHED N#C[C@]1(C(=O)NCC2CCCCCC2)CC12CCCC2 333074746 KQHWARGXEYXPIJ-KRWDZBQOSA-N 274.408 3.547 30 20 CHED Cc1csc(NC(=O)c2ccn(C(C)C)c2C)c1C#N 334721951 PKFWYUMIWTULEC-UHFFFAOYSA-N 287.388 3.871 30 20 CHED CSc1cc(C)ccc1NC(=O)N[C@@H]1CC[C@H](C#N)C1 335137638 DIDYTNYCUNEOKX-NWDGAFQWSA-N 289.404 3.531 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)CC1(C)C 335352692 QXCYPOYNIKNDMI-LLVKDONJSA-N 271.364 3.519 30 20 CHED Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)nc1C 335458364 CIOROYLADKIVDB-UHFFFAOYSA-N 285.372 3.501 30 20 CHED CN(C(=O)[C@@H]1CCC(F)(F)C1)c1cc(Cl)ccc1C#N 336089283 WXALPRQAQDEGHT-SECBINFHSA-N 298.720 3.610 30 20 CHED N#C[C@@H]1CCC[C@H]1NC(=O)c1occc1-c1ccc(F)cc1 336380858 KWEFXWGJCXFGED-SWLSCSKDSA-N 298.317 3.508 30 20 CHED CC1CCC(C)(NC(=O)Nc2ccc(C#N)cc2)CC1 339114392 VKDMWPMKBLNDMR-UHFFFAOYSA-N 271.364 3.649 30 20 CHED N#Cc1cccc(N[C@H]2C[C@H]2c2c(F)cccc2Cl)n1 339223037 JXTLIUBUUQIPBZ-MFKMUULPSA-N 287.725 3.714 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCC[C@@H](SCC)C1)OCC 339377596 KVNWKIMDIRFFPB-ZNMIVQPWSA-N 299.480 3.538 30 20 CHED CC[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 340924901 ZTPFBSIIRUHEHM-INIZCTEOSA-N 282.318 3.578 30 20 CHED C=C(C)CCSCC(=O)N(CC(C)C)C(C)C 350750802 YWVWMVBPSGZOJN-UHFFFAOYSA-N 257.443 3.579 30 20 CHED N#Cc1ccncc1N1CCC(Cc2ccc(F)cc2)CC1 354571866 SIPJWXSJQGPSKS-UHFFFAOYSA-N 295.361 3.551 30 20 CHED Cc1ccc([C@H]2CCCN2Cc2nc(C#N)cs2)s1 356233711 RXMBIRUILIHVPM-GFCCVEGCSA-N 289.429 3.722 30 20 CHED C=CCCC1(C(=O)Nc2cncc(Br)c2)CC1 356554623 ZIUAMIQIMNRQIG-UHFFFAOYSA-N 295.180 3.529 30 20 CHED CS[C@H](C)CN[C@H]1CCCCc2cc(C#N)ccc21 360657356 NULJDDHQFYHZJJ-WBMJQRKESA-N 274.433 3.667 30 20 CHED N#Cc1cc(Cl)ccc1NCCc1cccc(O)c1 360998939 QOQLQQQKJKVXOL-UHFFFAOYSA-N 272.735 3.572 30 20 CHED Cc1cc(F)cc2c(N(C)CC3CCC3)c(C#N)cnc12 361028066 BSSPQIMLUAXMJE-UHFFFAOYSA-N 283.350 3.790 30 20 CHED Cc1cc(F)cc2c(N3CCC[C@@H]3C)c(C#N)cnc12 361283428 YPVPIMIYZQJYKD-NSHDSACASA-N 269.323 3.543 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@@H]1CCCS1 362401927 JUBMFCMRORPORO-LBPRGKRZSA-N 293.457 3.590 30 20 CHED CC(C)CC1(CNC(=O)Nc2ccc(C#N)cc2)CC1 362494398 KMIFPVZVFZOGGG-UHFFFAOYSA-N 271.364 3.506 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 369295438 WIALHABQSAHWIH-GDBMZVCRSA-N 290.382 3.679 30 20 CHED N#CCC1(CNCc2cccc(-c3cccnc3)c2)CC1 370517954 IUJZBHTZIXQPAQ-UHFFFAOYSA-N 277.371 3.532 30 20 CHED C[C@@H]1Oc2ccccc2[C@@H]1Nc1snc(Cl)c1C#N 377177740 VXHKTKOHAHOAMN-WRWORJQWSA-N 291.763 3.602 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 397675760 GZZYRJQHEQTNLI-LLVKDONJSA-N 266.747 3.605 30 20 CHED Cc1cc(F)cc2c1CN(c1ccc(C#N)cc1)CC2 409659109 ISMGILHZWPXQAE-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccn(C(C)C)c1C 410557136 KKSODUUERFEMCD-UHFFFAOYSA-N 289.423 3.970 30 20 CHED C[C@@H](NC(=O)[C@]1(C#N)C[C@H]1C)C1(c2ccccc2)CCCC1 410723563 GOYBGTQYMFEARS-CLCXKQKWSA-N 296.414 3.553 30 20 CHED CC(C)CCCCC(=O)N(C1CC1)C1(C#N)CCC1 410751812 YGXFBAWEFJGAJU-UHFFFAOYSA-N 262.397 3.640 30 20 CHED C=CCCCC(=O)Nc1cc(OC)cc(OC)c1Cl 413959344 QJMDYSXYXCBNSQ-UHFFFAOYSA-N 283.755 3.652 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccc(C2CC2)cc1 416721510 GYYULORCBZUUQV-CYBMUJFWSA-N 299.418 3.864 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](C3CCCC3)C2)CC1 421646678 PWEJPFRFQOMRRE-HNNXBMFYSA-N 261.409 3.772 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)CC 422200115 FKIBDNPOGUKQPQ-CYBMUJFWSA-N 278.371 3.569 30 20 CHED C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C#N)cc2Cl)C1 426135797 IPZPIJXXLUIKLJ-GHMZBOCLSA-N 291.782 3.721 30 20 CHED C=CCN(C)Cc1cn(Cc2ccccc2)nc1C(C)(C)C 428392369 SRQNFQOKLNHREB-UHFFFAOYSA-N 297.446 3.847 30 20 CHED CCN(CC#N)CCCCc1cccc(C(F)(F)F)c1 428450073 YHHIKLXXZLBCLS-UHFFFAOYSA-N 284.325 3.874 30 20 CHED C=CCN(CCC#N)Cc1cc(C)c(OC(F)F)c(C)c1 430103196 RMVBGZHPBVLZJY-UHFFFAOYSA-N 294.345 3.807 30 20 CHED N#Cc1nc(N2CCC[C@@H](c3ccccc3)C2)ccc1Cl 431474800 DHZKWXSFLWCBQP-CQSZACIVSA-N 297.789 3.991 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCC[C@@H](C)C1 432304130 VLDYWGPSERHHAB-OCCSQVGLSA-N 285.391 3.815 30 20 CHED Fc1ccc(C#CCN[C@@H](c2ccccc2)C(F)F)cc1 433050748 DSYQVTXUYIEMHW-INIZCTEOSA-N 289.300 3.773 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CCC)Cc1ccccc1 436314893 NTLPHLUMNWPKIS-QYZOEREBSA-N 287.447 3.969 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)C1CCC(C(C)C)CC1 437161540 CNPMLOMNASCYKT-UHFFFAOYSA-N 288.391 3.747 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)Cc1ccccc1F 437806541 XNOJNCUVWSDSAJ-LBPRGKRZSA-N 284.334 3.749 30 20 CHED C=CCSc1ccccc1C(=O)NCC(C)(C)OCC 440939109 XXTFJUXNWXVVPK-UHFFFAOYSA-N 293.432 3.510 30 20 CHED COc1cc(/C=C\c2nc3ccccc3o2)ccc1C#N 442319473 ZMHVLMOKDKHEPR-CLFYSBASSA-N 276.295 3.878 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC=C(c2ccccc2F)C1 443131609 REIXSHHLRWGHOQ-QGZVFWFLSA-N 273.351 3.654 30 20 CHED N#C[C@@H](SCC(=O)Nc1ccccc1)C1CCCCC1 443397283 DKHYLYANLWIQEK-OAHLLOKOSA-N 288.416 3.831 30 20 CHED C=CCCCCNC(=O)Nc1cc2[nH]ccc2cc1C 444979300 KXVAQYZGPNIPFA-UHFFFAOYSA-N 271.364 3.954 30 20 CHED CC[C@H](NCCCN1CCC(C)CC1)c1ccc(C#N)cc1 447521512 WLIFQZDVHPOYHW-IBGZPJMESA-N 299.462 3.721 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 448670064 YWOARWIAJGOVFW-BZSNNMDCSA-N 296.414 3.733 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C1=C(c2ccccc2)CCC1 448726107 RUGBHQJOXPZJQK-CQSZACIVSA-N 282.387 3.632 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1csc2ccccc12 449549454 YCFPVDNBBDFLAL-CABCVRRESA-N 273.401 3.725 30 20 CHED C=C(CC)CNC/C(C)=C/c1ccccc1COC 449733981 LCDDETHCMYPPOE-XNTDXEJSSA-N 259.393 3.792 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccoc2C)CCCC1 449803358 LJKOWOUIUVFISF-UHFFFAOYSA-N 261.365 3.683 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1cccc(Cl)c1C#N 450301430 FYZSIJHSFCPVFZ-GHMZBOCLSA-N 264.756 3.581 30 20 CHED CN(CCOCc1ccc(C#N)cc1)CC1=CCCCC1 451034593 DDCCZLWFYNYIOH-UHFFFAOYSA-N 284.403 3.507 30 20 CHED C=CCCCCCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 451477732 IMUPLPJIALVAOW-RRFJBIMHSA-N 251.414 3.526 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cc2ccccc2s1 451626365 UAHCMMRCWCLISF-CYBMUJFWSA-N 273.401 3.915 30 20 CHED C=CCCC(=O)N1[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 452239221 WOGDZOCSLSHZJM-AXFHLTTASA-N 263.303 3.531 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 454459183 HNVIXFBUJWRMAH-LLVKDONJSA-N 295.452 3.767 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(C)c1Br 455168867 LTTMFUWYDTXARD-UHFFFAOYSA-N 297.196 3.845 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](C)c1c(F)cccc1F 455307052 HTGCFVCBZXEHRK-NSHDSACASA-N 282.334 3.633 30 20 CHED CC[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(CC#N)c1 455910940 UYMRVLJTNDCFKK-NSHDSACASA-N 299.296 3.605 30 20 CHED C=CCC1(NC(=O)[C@H]2CCC[C@H](OC)C2)CCCCC1 456376020 YUUUPEMWTZSIHQ-GJZGRUSLSA-N 279.424 3.587 30 20 CHED C=CCn1cccc1C(=O)N1CC2(CCC2)[C@@H]1c1ccco1 456590866 PXNVYLBJKRLEPE-INIZCTEOSA-N 296.370 3.635 30 20 CHED C[C@@H](C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 461909389 JSXGAOAWICVCGI-IDCJVQTKSA-N 296.414 3.604 30 20 CHED C[C@@H]1CC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)[C@H](C)C1 462054562 OEERBRHCKCHYAX-WBOJAVRRSA-N 284.403 3.603 30 20 CHED C=Cc1ccc(CCNC(=O)[C@](C)(C=C)CC)cc1 462568713 GCSCGTQPILZDRR-QGZVFWFLSA-N 257.377 3.591 30 20 CHED Cc1cc(C)c2[nH]cc(C#N)c(=N[C@H]3CC=CCC3)c2c1 462865338 YDMCTIXUWFTNOX-HNNXBMFYSA-N 277.371 3.666 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2OCc2ccccc2)C1 463241885 IQGSGTGAUGSALM-HCXYKTFWSA-N 298.430 3.796 30 20 CHED C=CCOCCCC(=O)N[C@H]1CCC[C@@H]1CCC(C)C 463488937 GHDYVRAUZOENTF-CVEARBPZSA-N 281.440 3.690 30 20 CHED CCCCOc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 464716721 WOEALAWEOMTLOA-OAHLLOKOSA-N 288.391 3.534 30 20 CHED CC1(C)CN(C(=O)C2(C#N)CCCCC2)CC(C)(C)C1 466411235 ZMPAFLXPXFWQCT-UHFFFAOYSA-N 276.424 3.745 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1OC(C)C 466531807 ZPTGQIIEYTZSRR-ZDUSSCGKSA-N 261.365 3.558 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCSc1ccc(C)cc1 467505897 XZUSELKBZRIYBD-INIZCTEOSA-N 277.433 3.806 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2c(C)cc(C)cc2C1 467885282 ISWNKKBNXPCDFM-GOSISDBHSA-N 271.404 3.790 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(OCC(C)C)c1 468113784 ROCUBVXIKPUGOB-GOSISDBHSA-N 289.419 3.940 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](C)OCCCC)CCCC1(C)C 470275234 VVMVKVSRYCKAKK-HUUCEWRRSA-N 281.440 3.785 30 20 CHED C=CCN(CCc1ccco1)c1ccc(C(F)(F)F)cn1 473527333 GDLSSTYRPIVJSH-UHFFFAOYSA-N 296.292 3.929 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](CC)Oc1ccccc1C 481168078 UOVWJPFGIBSGPS-OAHLLOKOSA-N 275.392 3.577 30 20 CHED C[C@@H]1CCCCN(Cc2ccc(C#N)cc2OC(F)F)C1 481562228 ATDNJMDAADVOID-GFCCVEGCSA-N 294.345 3.782 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCCCC 485275960 VBLFVMZBTZKCNP-UHFFFAOYSA-N 266.429 3.955 30 20 CHED N#Cc1ccc(OCCOc2cccc(Cl)c2)c(F)c1 486679619 DQZQNSSKDJYYRY-UHFFFAOYSA-N 291.709 3.809 30 20 CHED Cc1ccccc1OCCCOc1ccc(C#N)cc1F 486695314 AKESSKHYKKARIC-UHFFFAOYSA-N 285.318 3.854 30 20 CHED C=CCCCCCN1CCO[C@@H](c2cccc(F)c2)C1 487865245 DKTHJEVEJTVVGO-QGZVFWFLSA-N 277.383 3.945 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](C)c1ccccc1 488368256 QIQIPDWQPAHPIK-AWEZNQCLSA-N 268.360 3.507 30 20 CHED Cc1ccoc1CN(C)c1ccc(C(F)(F)F)c(C#N)n1 488773328 FUCXPQQEFPDRCX-UHFFFAOYSA-N 295.264 3.510 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(Oc2ccccc2F)nc1 488875144 FPRYWNPYFLUBOB-UHFFFAOYSA-N 299.305 3.501 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cc(Cl)ccc1OC 489856263 IZDRDXSBYDBLNH-UHFFFAOYSA-N 295.810 3.610 30 20 CHED C[C@@H](NCC1(C(F)(F)F)CCC1)c1ccc(C#N)cc1 507216957 ZOZZETYSZRIVMW-LLVKDONJSA-N 282.309 3.941 30 20 CHED N#Cc1ccc(NC(=O)N[C@H](c2cccs2)C2CC2)cc1 514531153 WUTDJKYHLBKJGY-HNNXBMFYSA-N 297.383 3.893 30 20 CHED CC[C@H](C)CC(=O)N(CCC#N)c1ccc(F)cc1 515943162 TVBCUVJBYMCGRF-LBPRGKRZSA-N 262.328 3.509 30 20 CHED C=CCCCCCNc1cccc(CC(=O)OC)c1 516708609 ZHARCQNJZDCBOA-UHFFFAOYSA-N 261.365 3.560 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 530802591 VOKUSDSSOCKZLA-SOUVJXGZSA-N 276.424 3.791 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)c1cc(C#N)cs1 530969492 KBPTXDLHWVRGIS-UHFFFAOYSA-N 298.411 3.981 30 20 CHED C=CCSc1ccccc1NC(=O)CN(CC)CCC 532484930 WOECWLOVTRXRPV-UHFFFAOYSA-N 292.448 3.635 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(C)c1ccc(C#N)cc1 533502063 QSIRYXBKMSAPEN-UKRRQHHQSA-N 270.376 3.737 30 20 CHED N#Cc1cccc(-c2ccc(N)c(C(F)(F)F)c2)c1 536959739 SQFLHIDCDSZPCK-UHFFFAOYSA-N 262.234 3.826 30 20 CHED Cc1ccc([C@H](C)NCCOc2ccccc2C#N)cc1 539234340 QAAQFKMYHFGXNX-HNNXBMFYSA-N 280.371 3.596 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F 541785142 HGRRBOQBXDHTMF-SNVBAGLBSA-N 295.314 3.600 30 20 CHED C=CCN(C)c1nnc(-c2sccc2C)n1CC(C)C 549430260 GCDMCOSUATWFLE-UHFFFAOYSA-N 290.436 3.593 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@@H](C)c1ccc(OC)cc1 551420038 NAYDQTYVOBQRKS-CQSZACIVSA-N 289.419 3.907 30 20 CHED Cc1c(NC(=O)C2(C#N)CC(C)C2)cccc1-c1ncco1 553057033 KCKGRANSAPAREP-UHFFFAOYSA-N 295.342 3.528 30 20 CHED C[C@H]1CCN(c2ccnc(C#N)c2)CC12CCCCC2 553494379 GZZWCFSGQLCYDP-AWEZNQCLSA-N 269.392 3.750 30 20 CHED CCN(CCNCc1ccc(C#N)s1)c1ccccc1C 553651575 YOMCADUDXZZHQR-UHFFFAOYSA-N 299.443 3.544 30 20 CHED CC(C)(C#N)CCN1CCc2ccc(Cl)cc2C1 557990692 YQGGFCGGXRUVPT-UHFFFAOYSA-N 262.784 3.638 30 20 CHED C=CCC(C)(C)CNCc1nc(CCC)cs1 559307215 RJPNLADUEUPDPG-UHFFFAOYSA-N 252.427 3.788 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(CSC)cc1 560603876 JQSVNRNNPBCQMF-UHFFFAOYSA-N 277.433 3.768 30 20 CHED CC(C)(CCNC(=O)c1ccc(Cl)c(C#N)c1)C1CC1 561664818 VDQUASOCPKDUGL-UHFFFAOYSA-N 290.794 3.768 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(C)(C)CO2 564011754 MUWNLAFXPLEGHF-AWEZNQCLSA-N 285.387 3.537 30 20 CHED Cc1cc(N2C[C@@H](c3ccccc3C)C[C@H]2C)cc(C#N)n1 566578335 LXOPXTPLUBYGCT-CVEARBPZSA-N 291.398 3.953 30 20 CHED C=CCCCCS[C@@H](C)C(=O)NC(C)(C)CC 567337703 PHIIGRCGNIYSJL-LBPRGKRZSA-N 257.443 3.769 30 20 CHED Cc1cccc(C(NCCC#N)c2cccc(C)c2)c1 567684267 FYSQCALFLFJVQM-UHFFFAOYSA-N 264.372 3.896 30 20 CHED CCc1ccsc1C(=O)N[C@@](C)(C#N)C1CCCCC1 576542554 KTTPGQXTPACTCB-INIZCTEOSA-N 290.432 3.903 30 20 CHED CCc1ccc(C2=CCN(c3cc(C#N)ccn3)CC2)cc1 576657046 RKMYTIKSFAPQFN-UHFFFAOYSA-N 289.382 3.809 30 20 CHED C[C@H](Cc1ccsc1)NC1CCC(C)(C#N)CC1 578714007 ABRBTFVHKQZMKE-LRVUVFPRSA-N 262.422 3.741 30 20 CHED CCSc1ccc([C@@H](C)Nc2cc(C#N)ncn2)cc1 579189084 MFSFDIYJKXMPED-LLVKDONJSA-N 284.388 3.633 30 20 CHED C[C@H]1CN(C)c2ccccc2N(Cc2cc(C#N)cs2)C1 580636239 TZJXBNQQTMCURI-ZDUSSCGKSA-N 297.427 3.712 30 20 CHED C[C@@H](Nc1cc(C#N)ccn1)c1nc(C(C)(C)C)cs1 587972315 LSCSYMHXCIZKNE-SNVBAGLBSA-N 286.404 3.880 30 20 CHED CC(C)Oc1ccc(NC(=O)CCCCCC#N)cc1 588151741 QWAFOHUUXSOTIJ-UHFFFAOYSA-N 274.364 3.886 30 20 CHED C/C=C\c1ccc(Nc2nnc(C)c(C)c2C#N)cc1 588844604 WUPQDUGKRSNODJ-PLNGDYQASA-N 264.332 3.742 30 20 CHED CN(C(=O)CCCCCC#N)c1ccc(F)c(Cl)c1 588953226 LEQQTYKIIPDIFO-UHFFFAOYSA-N 282.746 3.916 30 20 CHED COCc1ccc(Sc2ccc(C#N)c(C)n2)cc1 589864353 SQQLFMGBTJGOEC-UHFFFAOYSA-N 270.357 3.559 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(CC(C)C)c1ccccc1 590190278 PZZPQBYUXZHFSE-UHFFFAOYSA-N 293.370 3.565 30 20 CHED Cc1cc(-c2ccc(O[C@@H]3CCOC3)cc2)ccc1C#N 592984243 NXRSDUCEKZKVBX-GOSISDBHSA-N 279.339 3.701 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)CCC 593039494 SWHGRFONKWVFIS-UHFFFAOYSA-N 284.403 3.899 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 593254553 GXRVFYWXDMAYCD-MWDXBVQZSA-N 296.414 3.603 30 20 CHED Cc1cccc(C2(NCc3ccc(C#N)cn3)CCCC2)c1 593964309 FHUULLZHUKHXMC-UHFFFAOYSA-N 291.398 3.821 30 20 CHED Cc1csc(NC(=O)N2CCC[C@@H](C3CC3)C2)c1C#N 594103467 XOPFYEOEHXMCIW-GFCCVEGCSA-N 289.404 3.582 30 20 CHED CC[C@]1(C)CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 594309715 HPHNAWHAZVGLNJ-DNVCBOLYSA-N 298.430 3.776 30 20 CHED C=CCCSCCN[C@@H](C)c1cnn(C(C)C)c1C 595057326 CFBQLYJFFHBJOH-ZDUSSCGKSA-N 281.469 3.732 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCCc1ccco1 595092967 BZCJIOFHBFROEJ-GOSISDBHSA-N 280.371 3.751 30 20 CHED CC(C)(C#N)CCCN1CC(C)(C)[C@@H]1c1cccnc1 596589703 CARVZMCJTUZUDS-HNNXBMFYSA-N 271.408 3.794 30 20 CHED CCC[C@@H](C(=O)N(CC)CCC#N)c1ccc(Cl)cc1 596890821 MCZZTHRYKSCDSY-OAHLLOKOSA-N 292.810 3.986 30 20 CHED Cc1c(C(=O)N2CCC[C@H](CC#N)C2)oc2c(C)cccc12 597910810 BFFLJXYMJWZCOU-CQSZACIVSA-N 296.370 3.816 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H](CC#N)C2)CC(C)(C)C1 597913980 SKTGWKUKKKMTNZ-PMPSAXMXSA-N 290.451 3.991 30 20 CHED CCN(C(=O)C[C@@H](C)Cc1ccc(Cl)cc1)[C@H](C)C#N 598359054 RIRCYIBEWGZIAP-QWHCGFSZSA-N 292.810 3.669 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCc1cccc(F)c1 599925069 INYFMNAPIQCIDO-ZDUSSCGKSA-N 295.423 3.872 30 20 CHED Cc1cccc(-n2ccnc2S[C@@H](C#N)C2CC2)c1 601072890 WTDHOWTURIYGAI-AWEZNQCLSA-N 269.373 3.575 30 20 CHED Cc1cc(C)c(/C=C\CNCCCCC#N)cc1C 601105644 KHJGEMQUDQVGRG-FPLPWBNLSA-N 256.393 3.909 30 20 CHED Cc1ccc(CN(C)C(=O)c2ccccc2CC#N)cc1C 601619940 FKUUQCPQHLMGPG-UHFFFAOYSA-N 292.382 3.642 30 20 CHED C=CCOc1ccc(CNC[C@@](C)(O)CCC)cc1Cl 602278399 SNSJUDWBJORRNU-INIZCTEOSA-N 297.826 3.546 30 20 CHED C[C@@H](CCC#N)CN(C)[C@@H]1CCCN(Cc2ccccc2)C1 602445627 RSUYBAUBVKVDFJ-PKOBYXMFSA-N 299.462 3.523 30 20 CHED CCOc1ccccc1[C@@H](CC)NCc1cccc(C#N)n1 602528378 AJEDVMBQRHWICJ-QGZVFWFLSA-N 295.386 3.593 30 20 CHED C[C@H](CCC#N)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 602663158 JREYGOWKLBKQGU-UPJWGTAASA-N 276.346 3.979 30 20 CHED Cc1ccc(C)c(CSc2cc(C#N)ccn2)c1 603726907 KFSXSCPTRUMDSB-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CC(C)(CCNc1ncccc1C#N)c1ccccc1 604380392 QNMHXDQXNHITHB-UHFFFAOYSA-N 265.360 3.733 30 20 CHED CC(C)(C#N)C(=O)Nc1nc(/C=C/c2ccccc2)cs1 609759157 ZONHLUGCVYMJGU-CMDGGOBGSA-N 297.383 3.802 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)NCc1cccc(C#N)c1 610023860 XLGVMWSOCLTMAM-WMLDXEAASA-N 299.418 3.668 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 610356057 ICLGDKZVSHAGQQ-RHSMWYFYSA-N 299.418 3.839 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC(C(C)C)C(C)C 610905866 FWUNRHKEIURNFZ-UHFFFAOYSA-N 273.380 3.669 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCc2cccc(O)c2)n1 613414741 QGENZIQUZHPPFN-UHFFFAOYSA-N 281.359 3.568 30 20 CHED C=C(CNC(=O)[C@@H]1C[C@H]1c1ccccc1C)c1ccccc1 614864452 MAUVDTZAAJSSSS-RBUKOAKNSA-N 291.394 3.928 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)CC(F)(F)F)C1 617776870 CUESMXDJXPNKOJ-NEPJUHHUSA-N 277.330 3.780 30 20 CHED CCc1noc(CSCCCCC(C)(C)C#N)n1 618109651 RISWXFLLJXBIMY-UHFFFAOYSA-N 267.398 3.585 30 20 CHED N#C[C@H](Cc1ccccc1)SCc1ccc2c(c1)OCO2 619460978 VUAHBIOMOPBCCJ-HNNXBMFYSA-N 297.379 3.783 30 20 CHED C[C@H](C[C@@H]1CCOC1)N[C@@H]1CCCCc2cc(C#N)ccc21 619508466 YTPLTJKAWKUFIP-SIXWZSSISA-N 298.430 3.730 30 20 CHED CCCC[C@H](C)C(=O)NCc1ccc(C#N)c(Cl)c1 619765558 NTBVFFKASPBVDF-NSHDSACASA-N 278.783 3.654 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 620858532 IIXPXJLVKGGEKE-KGLIPLIRSA-N 293.357 3.929 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 620859096 WMQLKHMBOZZHMI-QFBILLFUSA-N 283.415 3.752 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccccc1OC(C)C 620861215 HLHWGCVRRLMMAE-UHFFFAOYSA-N 289.419 3.877 30 20 CHED CCC(=O)c1ccc(NC(=O)CCCCCC#N)cc1 628694215 NZYYVEIAIIUBJG-UHFFFAOYSA-N 272.348 3.692 30 20 CHED C=C(C)C(C)(C)c1nc([C@@H]2Cc3ccc(F)cc32)no1 632221628 QUZCRJYTHLNNOM-CYBMUJFWSA-N 272.323 3.750 30 20 CHED C=C(C)CN(C)[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 652430537 KYSUNZUUODLEII-GFCCVEGCSA-N 288.174 3.627 30 20 CHED C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc2ccncc2s1 658038053 KXZCHTHXUZYOAL-XBFCOCLRSA-N 288.416 3.538 30 20 CHED C=CCC[C@H](C)N[C@@H](CO)c1cccc(Cl)c1Cl 662049597 AHZOZJTZQWMFDK-GWCFXTLKSA-N 288.218 3.971 30 20 CHED C=CCN(CCc1ccco1)C(=O)NCCCC1CCC1 666615048 ZUHUYJUAGCNVBN-UHFFFAOYSA-N 290.407 3.600 30 20 CHED C=C(CNC(=O)c1cc(C)sc1C)c1ccccc1 672480083 DBZNMSNETQRWDM-UHFFFAOYSA-N 271.385 3.808 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)c1cnccc1C 678459351 ZDFBCZZLFOFETD-OAHLLOKOSA-N 289.423 3.839 30 20 CHED C=C(CNCc1cc(Cl)ccc1O)c1ccccc1 725849869 YVVSCEAWAQWJMH-UHFFFAOYSA-N 273.763 3.849 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2C)cc1[N+](=O)[O-] 730144936 LCYZBMQCAMXBMI-UHFFFAOYSA-N 299.330 3.666 30 20 CHED C=C(C)CNC(=S)Nc1cccc(Oc2ccncc2)c1 732623473 FMPNRNCWZKINBE-UHFFFAOYSA-N 299.399 3.736 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc(F)cc2)o1 732762092 SHLWODJVWNNMNI-HZMBPMFUSA-N 258.296 3.988 30 20 CHED Cc1cc(C#N)ccc1OCc1ncc(C(C)C)o1 733307854 MWMMSDYOMJHPPU-UHFFFAOYSA-N 256.305 3.557 30 20 CHED C=CC[C@H](NC(=O)/C=C\c1ccsc1)c1ccncc1 734235431 HZJKUGYYBCRUTM-XVWMLYKFSA-N 284.384 3.590 30 20 CHED CCON=Cc1ccc(-c2c(F)cccc2F)o1 734365054 AFTBQVUBUNJZKF-UHFFFAOYSA-N 251.232 3.595 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1cccc(C#N)c1)CO2 737442956 DFNMCOREYNSAGK-SXGWCWSVSA-N 289.334 3.834 30 20 CHED CCCCCCCCOCC(=O)NC1CCCCC1 741513433 QAFCBUYEHCNYAU-UHFFFAOYSA-N 269.429 3.812 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccc2c(c1)COC2 742437898 YOBVIUSFQJIGQK-PLNGDYQASA-N 270.353 3.983 30 20 CHED C#CCN(C(=O)[C@@H](C)Oc1cccc(C)c1)C1CCCCC1 743692454 YEMQQVXYCKDROO-MRXNPFEDSA-N 299.414 3.557 30 20 CHED COc1ccc2sc(C(=O)O[C@@H](C)CC#N)c(C)c2c1 744134629 FGLIHHSTOSFLDP-VIFPVBQESA-N 289.356 3.677 30 20 CHED CC(=NNc1oc(CC(C)C)nc1C#N)c1cccs1 745613283 DBIRJYYTRCCZIW-UHFFFAOYSA-N 288.376 3.642 30 20 CHED CC(=NOCc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 746577516 SBPICWIQFYERTP-GFCCVEGCSA-N 287.281 3.634 30 20 CHED CC#CCOC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 747025068 LGRTUKRPJUKKRG-VIFPVBQESA-N 271.143 3.663 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(-c2ccc(F)cc2)n1C 749161541 CSSSSJHZHXLKGI-UHFFFAOYSA-N 298.361 3.645 30 20 CHED CCc1ccc(C=NNc2ccc(OC)cc2)s1 750921862 LNULCASVHCYCCR-UHFFFAOYSA-N 260.362 3.765 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2cccc(C)c2C)o1 751512909 HOMHPFMNEBQFHL-NTMALXAHSA-N 298.338 3.969 30 20 CHED CCOCCC1(CNc2nc3ccccc3cc2C#N)CC1 751924917 CKOUTNBKOVVDBY-UHFFFAOYSA-N 295.386 3.725 30 20 CHED C=C(C)CNC(=S)N[C@H](CC)CSc1ccccc1 752786543 OVHCDLAEHTTXKP-CYBMUJFWSA-N 294.489 3.598 30 20 CHED Cc1cc(C)c(/C=C\C(=O)c2cc(O)cc(O)c2)cc1C 753716569 JVVJYWPWNSFRFG-PLNGDYQASA-N 282.339 3.919 30 20 CHED N#Cc1cccc(N[C@H](c2ccccc2)C2CCOCC2)n1 755908377 OJIBRCQKZRDYKX-GOSISDBHSA-N 293.370 3.533 30 20 CHED CC1(C)CCC[C@H](C(=O)OCC(=O)c2cccc(C#N)c2)C1 756267174 WHFOFEWOCSVWGI-HNNXBMFYSA-N 299.370 3.501 30 20 CHED C#CCCCC(=O)Oc1ccc(OC)cc1C(C)(C)C 757804425 FURTVQSIGKQIFC-UHFFFAOYSA-N 274.360 3.702 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(F)c(C)c2)c1 759207397 WTLUATYKXQLWLF-UHFFFAOYSA-N 276.286 3.728 30 20 CHED N#Cc1ccc(F)cc1COC(=O)/C=C\c1ccsc1 759349480 LTKLACJCXXKJIS-RJRFIUFISA-N 287.315 3.515 30 20 CHED C[C@H](C(=O)OCc1cc(F)ccc1C#N)c1ccsc1 759360528 ATVSPKXIJVAQIA-JTQLQIEISA-N 289.331 3.606 30 20 CHED COc1cccc2c1CCC2=NNc1ccc(F)cc1 759646609 LWEZGCFYZCGSFV-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)c1ccc[nH]1)c1ccccc1 760430973 YUFILVADPFZFME-KBPBESRZSA-N 268.360 3.552 30 20 CHED Cc1ccc2c(C)cc(NN=C3CCC(O)CC3)nc2c1C 761778234 POTJXTBWDRYLLH-UHFFFAOYSA-N 297.402 3.863 30 20 CHED CSc1ccc(C(C)=NNc2cnn(C)c2)c(Cl)c1 761866360 QYVFMIWJAZJBBY-UHFFFAOYSA-N 294.811 3.632 30 20 CHED C#CCOc1ccccc1-c1noc(/C=C2/CC[C@@H](C)C2)n1 761996582 ZZPBPUDZQUBBSL-NXXVSJRMSA-N 294.354 3.952 30 20 CHED C#CCN(Cc1c(Cl)cccc1N1CCCC1)C1CC1 764683086 OMBNIJHBXFKOOF-UHFFFAOYSA-N 288.822 3.538 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(CSC)c1 767078209 QAVLYJYXIUDAHZ-UHFFFAOYSA-N 261.390 3.538 30 20 CHED C#C[C@@H](C)N(C)C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 767244288 TWMWSSQIQHBVTH-UCQJPZFISA-N 295.304 3.589 30 20 CHED Cc1cc(Cl)ccc1C=NOCc1cccnc1 767388996 ZLQQHWMDPVTKSV-UHFFFAOYSA-N 260.724 3.594 30 20 CHED CC(=NOCc1ccccc1)c1ccccc1N(C)C 769570714 VQZMDDLBMCMBKT-UHFFFAOYSA-N 268.360 3.693 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1cccc(Cl)c1 769820505 GESYIVSJERHMNR-UHFFFAOYSA-N 283.762 3.725 30 20 CHED C[C@H](Cc1ccccc1Cl)N[C@H]1CC[C@H](C#N)C1 770003930 MVFOQGUSCYRFRO-DYEKYZERSA-N 262.784 3.553 30 20 CHED Cc1ccc2nc(C3CC3)cc(C(=O)OC[C@@H](C)C#N)c2c1 770948168 BTYVDWOPOBTPGS-LBPRGKRZSA-N 294.354 3.737 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cc(F)ccc2F)c(F)c1 772799056 ZXKBAWRUTQYLNQ-UTCJRWHESA-N 287.240 3.872 30 20 CHED COc1cc(/C=C2/COc3ccc(F)cc3C2=O)ccc1C 773140516 RSIWCWBLPJIQKN-QPEQYQDCSA-N 298.313 3.801 30 20 CHED Cc1ccc(/C=C\C(=O)c2sccc2O)cc1F 773147962 FJUHNEBFMIWARB-PLNGDYQASA-N 262.305 3.797 30 20 CHED C=C(CC)CN(Cc1ccc(N(C)C)cc1)C1CC1 773421238 NVWKZENDBVOEEY-UHFFFAOYSA-N 258.409 3.683 30 20 CHED CC1(c2ccccc2)CC(=NN[C@H]2C[C@H]3CC[C@H]2C3)C1 774595918 GDNAOOKFZNPZTJ-RDAOOHMSSA-N 268.404 3.872 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)OCC3(C#N)CC3)oc12 775856133 ZYZWQZGODJUYQK-UHFFFAOYSA-N 283.327 3.819 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1cscn1 776193475 ZGSAXULNEPGZEO-GHYOLMRSSA-N 255.342 3.986 30 20 CHED C[C@@H](CC(=O)OCCC(C)(C)C#N)c1cccc(F)c1 776385659 MDQQCZXTKVHZGG-LBPRGKRZSA-N 277.339 3.802 30 20 CHED O=C(/C=C/c1csc(-c2ccccn2)n1)c1cncs1 776433644 HXSMSGBKCPYVNX-SNAWJCMRSA-N 299.380 3.558 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)c(F)c1 776728112 CVVBWUODWJORAH-AATRIKPKSA-N 294.260 3.604 30 20 CHED CC(C)[C@@H]1CC(=NNc2nc3ccccc3s2)CCO1 776758013 FKUNVZCDTRZXMZ-ZDUSSCGKSA-N 289.404 3.899 30 20 CHED FC(F)(F)Oc1ccccc1NN=C1CCn2cccc21 777453095 LEFHHUKXWGULJV-UHFFFAOYSA-N 295.264 3.607 30 20 CHED CC(C)Oc1ccc(OC(=O)c2cccc(F)c2C#N)cc1 777668495 AECHFTDTPGMWFP-UHFFFAOYSA-N 299.301 3.704 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2cc(F)ccc2C)cc1 777921142 TVJSVFXZVQBJLS-CSKARUKUSA-N 298.313 3.817 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccnc(Cl)c1 779459455 AQQZHCYKJFZJQH-WAYWQWQTSA-N 288.690 3.539 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1ccc2[nH]ncc2c1 779819698 XIMBQICWMBCRNM-UHFFFAOYSA-N 289.342 3.799 30 20 CHED CC(C)(C)CCCOC(=O)c1ccc(CC#N)cc1 781195164 APBVLUXZQUBWKH-UHFFFAOYSA-N 259.349 3.736 30 20 CHED Cc1nc(Cl)cc(NN=Cc2cc(Cl)cs2)n1 782233241 TYGQRNAJTUIJMG-UHFFFAOYSA-N 287.175 3.599 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1c[nH]c2ccccc12 782299899 JPEFQKABXWNZKK-OAHLLOKOSA-N 255.365 3.670 30 20 CHED C=CCCC(=O)COC(=O)[C@H](CC)Sc1ccccc1 785921203 CPEDRLFFGHCMTF-HNNXBMFYSA-N 292.400 3.636 30 20 CHED CC1(c2ccccc2)CCC(=NOC[C@@H]2CCOC2)CC1 788033811 MCQQPURFICLZQY-NNJIEVJOSA-N 287.403 3.927 30 20 CHED C#CCC1(C(=O)OCc2ccc(C#N)cc2C)CCCCC1 788217295 CYDRRLIRFPQZQG-UHFFFAOYSA-N 295.382 3.884 30 20 CHED C#CCSc1ccc(COC(=O)[C@@H](C)C2CC2)cc1 788411757 OTFUTALABYBCKJ-LBPRGKRZSA-N 274.385 3.501 30 20 CHED OC[C@@H](NN=C(CC1CC1)c1ccccc1)c1ccccc1 788467890 GQYZMKKCOKNOKE-LJQANCHMSA-N 294.398 3.514 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCSC1 791062425 QBPCQJOILLVOQG-ZDUSSCGKSA-N 257.443 3.606 30 20 CHED CCOc1ccccc1C=NNc1cccc(Cl)n1 793164730 XNFPQSHISPTSMY-UHFFFAOYSA-N 275.739 3.580 30 20 CHED C[C@@H]1COCCC1=NNc1c(Cl)cccc1Cl 794521620 ZWSUUUAPJIPZRP-MRVPVSSYSA-N 273.163 3.818 30 20 CHED N#CCOc1ccc(CN(C#N)c2cccc(Cl)c2)cc1 794572916 MCWRQEZJLVTECH-UHFFFAOYSA-N 297.745 3.730 30 20 CHED CSCCON=C1CCCc2c(Cl)cccc21 794574881 UKRNRMUOTUBUMC-UHFFFAOYSA-N 269.797 3.760 30 20 CHED C=C(C)CNC(=S)Nc1c(CC)cc(C)cc1CC 795041357 AHHHJRCZFGDTLQ-UHFFFAOYSA-N 276.449 3.982 30 20 CHED CCCCC[C@@H](NC(=O)NCC1(CC#N)CC1)C(C)(C)C 797460900 WUDQOXJRXKMSIS-CQSZACIVSA-N 293.455 3.974 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1cccc2c1CCCC2 797953009 XZVBPJAGTNUKBN-UHFFFAOYSA-N 281.311 3.558 30 20 CHED C=C[C@H](OC(=O)Cc1cc2ccccc2nc1O)C(C)(C)C 798907384 XPUJGSSAMDTWBT-HNNXBMFYSA-N 299.370 3.627 30 20 CHED CCCCS[C@H](C)C(=O)Oc1ccc(C#N)cc1CC 799444389 OELUDEMWAQUKJD-GFCCVEGCSA-N 291.416 3.948 30 20 CHED COc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1F 799891984 KUTUEDNOYVMFJJ-WAYWQWQTSA-N 291.709 3.779 30 20 CHED CCCCCCCCNC(=O)N(C)CC(F)(F)F 800090815 IDNBTVVEUVTHPA-UHFFFAOYSA-N 268.323 3.551 30 20 CHED Cn1cnc(/C=C\C(=O)c2ccc(SC(F)F)cc2)c1 800793179 IGLCSVKXROYMFX-DAXSKMNVSA-N 294.326 3.631 30 20 CHED Cc1ccc(C=NNCCC(C)(C)C)c(-c2cnn(C)c2)c1 802712639 SDDPGLKTRNBOSM-UHFFFAOYSA-N 298.434 3.755 30 20 CHED CC#CC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 803612192 NGNWSPAWXHBVDA-JKSUJKDBSA-N 289.806 3.896 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2nc(Cl)c(C#N)s2)o1 804359139 FQCAUUXVFSOJNO-VXNVDRBHSA-N 293.779 3.997 30 20 CHED N#CCCCCCC(=O)OCc1cc2ccccc2o1 805696072 VHIGGDIPSVZUCE-UHFFFAOYSA-N 271.316 3.950 30 20 CHED C=CCCCCCCNC(=O)Nc1c(C)noc1CC 806370699 GMZWNQHUALFUHN-UHFFFAOYSA-N 279.384 3.803 30 20 CHED C#Cc1cccc(NCc2cc(C(OC)OC)ccc2F)c1 809424907 AUGKZIRRBRWKIU-UHFFFAOYSA-N 299.345 3.711 30 20 CHED C#Cc1ccc(CN[C@@H](c2ccc(OC)cc2)C2CC2)cc1 809603279 MWAPFGXMZAPNPH-HXUWFJFHSA-N 291.394 3.917 30 20 CHED C=CCCCCC[C@H](C)N[C@H](c1nncn1C)C(C)C 809692370 VEWDGCXWBIKQRL-GJZGRUSLSA-N 278.444 3.627 30 20 CHED C=CCC[C@H](CCC)Nc1ccc2c(c1)C(=O)OC2 809788029 GSNKQOZTMRUDGF-ZDUSSCGKSA-N 259.349 3.904 30 20 CHED C=CCCCCCCNC(=O)Nc1ccn2ccnc2c1 810231589 GTBGTBMZFKIWDM-UHFFFAOYSA-N 286.379 3.592 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C3(F)CCCCC3)[nH]c12 810590374 KSPOUNKOBUZCRW-GFCCVEGCSA-N 299.349 3.720 30 20 CHED C#CC[C@H](NC(=O)c1cc(O)ccc1Cl)c1ccccc1 810750230 HPYBTORJNLDPNO-INIZCTEOSA-N 299.757 3.540 30 20 CHED C=CCCCCOC(=O)c1cnc(-c2ccccc2)nc1 811008668 JJGMBNWMBBMTLI-UHFFFAOYSA-N 282.343 3.657 30 20 CHED C=CCCCCOC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 811012281 FCVBINPZNWYAQI-CABCVRRESA-N 268.397 3.727 30 20 CHED C(=NNC[C@H]1CCSC1)c1ccc(-c2ccccc2)o1 811662146 DDQPZGUKOKZWOF-CYBMUJFWSA-N 286.400 3.623 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(OC)c(O)c2)cc1 811698380 LCIBLPUJPSMFQB-POHAHGRESA-N 298.338 3.696 30 20 CHED C#C[C@@H](C)NC(=O)N[C@@H](c1cccs1)C(CC)CC 812009570 BDDCACCJFJAMCQ-BXUZGUMPSA-N 278.421 3.546 30 20 CHED COc1ccc(F)cc1/C=C1/Cc2c(OC)cccc2C1=O 812243929 VRDKPFVLRDRKGJ-WQLSENKSSA-N 298.313 3.665 30 20 CHED C[C@H](OC(=O)CCCC1CC1)c1cccc(C#N)c1 812602419 SINTXNPZJVBXEX-LBPRGKRZSA-N 257.333 3.743 30 20 CHED C#C[C@@H](NC(=O)CCSc1cccc(Cl)c1)C(C)C 813559451 YPTNDDIENQFPSM-CQSZACIVSA-N 295.835 3.596 30 20 CHED CCC[C@@H](Nc1ccc(C#N)c(C)n1)[C@H](O)c1ccccc1 813606340 XAMZGFPXTHQOTB-SJLPKXTDSA-N 295.386 3.576 30 20 CHED COCc1ccccc1/C=C(\C)C=NNc1ccnc(F)c1 814226893 MKDUGUNIABAISM-RRZVXDPGSA-N 299.349 3.868 30 20 CHED C[C@@H](NN=C1CCCc2ccc(N)cc21)c1ccccc1 814815084 MMEDPTVEALBAFZ-CYBMUJFWSA-N 279.387 3.660 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NOCC(C)C 814883904 GWKMUOHEGLKUHE-NVXWUHKLSA-N 275.392 3.998 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NOC/C=C/Cl)C1 814933793 ACWQXZNRDAWDSB-JDWQMRGUSA-N 287.787 3.645 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H]2CCCC2(C)C)cc1 815164693 ZPFNPPMVFFDWKY-GDBMZVCRSA-N 286.419 3.893 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CC)c1cc(F)ccc1F 815678322 ZEQCNLBXVBYBAQ-LBPRGKRZSA-N 289.272 3.744 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)OCc1ccc(CC#N)cc1 820505700 YTNDOEMSDRRYRV-CZUORRHYSA-N 271.360 3.622 30 20 CHED CCCCCCCCCN(C)Cc1cnns1 827482862 AXSXYQIKCBXOQI-UHFFFAOYSA-N 255.431 3.721 30 20 CHED CC(C(=O)N[C@H](CCC#N)c1ccccc1)=C1CCC1 827537117 AZXBYEIXDHNVME-MRXNPFEDSA-N 268.360 3.648 30 20 CHED C=C(Cl)CNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 828213198 ARFMWLJBVVTWDX-HUUCEWRRSA-N 277.795 3.514 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 833041996 MAZIURHCNVAIGU-NSHDSACASA-N 279.330 3.953 30 20 CHED Cc1sccc1/C=C/C(=O)c1c(C#N)c2n(c1C)CCC2 834425529 VZNIQLCSKQIBEU-AATRIKPKSA-N 296.395 3.880 30 20 CHED C=C[C@@H](OC(=O)[C@@H]1CC12CCSCC2)C(C)(C)C 835392071 VXDFCNVNXPAAQD-NWDGAFQWSA-N 268.422 3.664 30 20 CHED C=C[C@@H](CC(=O)OC[C@H](C)SC)c1ccccc1 835686698 ZAZAUIYKLLYYMM-STQMWFEESA-N 264.390 3.641 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C1=CC[C@@H](C)CC1 836713422 QXRPABSAIYXMRQ-GFCCVEGCSA-N 287.334 3.523 30 20 CHED C=CCCCCOC(=O)c1c(F)ccc(F)c1F 837647047 WOKLTPXMTLOTCW-UHFFFAOYSA-N 258.239 3.617 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 839038067 BGGPCIRAUBAULB-ZMLRMANQSA-N 296.288 3.553 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839049798 SLHFHMGFGWTMGK-XNRPHZJLSA-N 289.350 3.630 30 20 CHED Cc1cc(C)c(NN=Cc2cccc(C#N)c2)c(C)c1 839399596 ZALOSJIATKUIOS-UHFFFAOYSA-N 263.344 3.930 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H](C)C(=O)c1cccc(F)c1 840478190 RLFGUYMRIVBMHY-BDJLRTHQSA-N 278.323 3.542 30 20 CHED CCCC(CCC)C(=O)Oc1cccc(OCC#N)c1 841345691 KWVHVMYPDBCVMB-UHFFFAOYSA-N 275.348 3.711 30 20 CHED CC(C)(C#N)CCCC[S@](=O)Cc1ccc(Cl)cn1 841728112 CFMFZHKKEBHMBQ-IBGZPJMESA-N 298.839 3.704 30 20 CHED C#C[C@@H](OC(=O)C1(C(F)(F)F)CCC1)c1ccccc1 842392575 QXTZXLPRAKJVOK-GFCCVEGCSA-N 282.261 3.637 30 20 CHED N#C[C@@H](C(=O)/C=C\C1CCCC1)c1nc(C2CC2)cs1 842941847 DFQLMKQJJIVXTF-UJZCVKTISA-N 286.400 3.943 30 20 CHED Cc1c(NN=C[C@H](C)CC(C)C)cccc1C(=O)O 844622500 DXNNZXCOWCPKMK-LLVKDONJSA-N 262.353 3.773 30 20 CHED C=C(C)[C@H](C)OC(=O)c1cc(Cl)nc(C2CC2)c1 847681910 YGGSIUIOJNNEOX-VIFPVBQESA-N 265.740 3.734 30 20 CHED C#Cc1cccc(CNCc2cccc(OC3CC3)c2F)c1 850320409 DDSFUSJEXXBKKX-UHFFFAOYSA-N 295.357 3.638 30 20 CHED CCn1c(C)cc(C(=O)O[C@H](C)CC(C)(C)C#N)c1C 851214435 ZMSLWHHSOWIPQL-GFCCVEGCSA-N 276.380 3.610 30 20 CHED Cc1cc(C)cc(C(=O)O[C@H](C)CC(C)(C)C#N)c1 851214742 WFQURTRMLLLGEL-CYBMUJFWSA-N 259.349 3.789 30 20 CHED Clc1ccccc1NN=C[C@H]1CC1(Cl)Cl 853257424 ZCXVBFSFFVJKEJ-SSDOTTSWSA-N 263.555 3.932 30 20 CHED N#CCC1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 853474849 RCRFAVSDEUHSLY-UHFFFAOYSA-N 295.289 3.662 30 20 CHED C[C@H](C#N)c1ccc(-c2cnn([C@H]3CCCCO3)c2)cc1 854209770 KFTFKZIKMUDPQJ-CXAGYDPISA-N 281.359 3.876 30 20 CHED C=CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)nc2)C1 855438843 PRAHTSHXKMIRMZ-RCQQVGEISA-N 290.794 3.563 30 20 CHED FC(F)(F)C(F)(F)CNN=C1CCCC12CCCC2 863183325 VEQGSAJVZKVOPK-UHFFFAOYSA-N 284.272 3.874 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(Cc2cccc(C#N)n2)C1 877520792 HYNZVMICQCHECC-KSSFIOAISA-N 277.371 3.536 30 20 CHED Cc1c(Cl)nnc(N[C@@H](C)c2cccc(C#N)c2)c1C 882037662 JJCDHIPNCMLDPT-NSHDSACASA-N 286.766 3.792 30 20 CHED C=C1CCC(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 887960447 VEDJDKUYHNZYPJ-UHFFFAOYSA-N 294.398 3.796 30 20 CHED N#Cc1ccsc1C(=O)NCCC1CCC(F)(F)CC1 890063619 VPIUYLQLBKYNJN-UHFFFAOYSA-N 298.358 3.565 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnc(Cl)cc1Cl 891001100 WSYMORRLKPMEAE-GFCCVEGCSA-N 273.163 3.929 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](c1ccncc1)C1CC1 899000454 IQLVVWMNGUZXGD-OAHLLOKOSA-N 287.407 3.577 30 20 CHED C[C@@H]1/C(=C/c2cn(C)nc2C2CC2)C(=O)c2ccccc21 899373932 KVXFHIXZOFPJKT-RCEBRVLHSA-N 278.355 3.681 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1c(F)cccc1F 901196405 PRTPYQIYZWDDKA-UHFFFAOYSA-N 292.333 3.805 30 20 CHED C#CCN(C(=O)Nc1cccc(Cl)c1Cl)C(C)C 902939111 XGCMTPSHLQCPPG-UHFFFAOYSA-N 285.174 3.869 30 20 CHED Cc1ccc([C@@H](NCC2(C#N)CC2)C2CCCC2)o1 903105390 BVWOLMICPPGXPL-HNNXBMFYSA-N 258.365 3.713 30 20 CHED CCO[C@@H]1CCCC(=NNCc2cnc3ccccc3c2)C1 905452811 QXTGCMFUIGIAHX-QGZVFWFLSA-N 297.402 3.660 30 20 CHED Oc1cccc(C=Nc2ccc3oc(C4CC4)nc3c2)c1O 914702513 INDVDRAJPYJWSK-UHFFFAOYSA-N 294.310 3.867 30 20 CHED CCCCCCCCCNC(=O)N1CCOC(C)(C)C1 916194384 XLESSVRDESFJGV-UHFFFAOYSA-N 284.444 3.557 30 20 CHED CC(=NNCc1ccccc1)c1ccc(Cl)cc1 916343835 JDGQKIBHBFSUCK-UHFFFAOYSA-N 258.752 3.854 30 20 CHED CC(=NNc1cccc(Cl)c1)c1ccc(N)cc1 916541402 SRJPCWNSQIHVFQ-UHFFFAOYSA-N 259.740 3.758 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cccc(F)c1)C2=O 921264171 PJBANVLGKIRCCA-RIYZIHGNSA-N 252.288 3.957 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1cccc(-n2cccn2)c1 925187637 DRKWCGNKMGTJTF-LSDHHAIUSA-N 296.418 3.851 30 20 CHED C=C(CC)CN[C@@H](c1ccccn1)c1ccccc1OC 926548895 CGKPFQVXRSIVAN-GOSISDBHSA-N 282.387 3.735 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1nc(C(C)(C)C)cs1 932049513 SFZZVSCMKTXIOP-NSHDSACASA-N 280.437 3.659 30 20 CHED N#CCc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 1115844910 HLVFEBPOMAXEJO-HOTGVXAUSA-N 297.402 3.797 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)Cc1ccccc1Cl 1116892244 MPGATCRGVGOXBT-KMFMINBZSA-N 293.838 3.842 30 20 CHED C[C@H]1CCC[C@@H](c2nnc(COc3ccc(C#N)cc3)o2)C1 1117173277 GXITWODZQABZJC-GXTWGEPZSA-N 297.358 3.814 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1oc2ccccc2c1C 1121161160 OWIJXZJCPINKQL-GFCCVEGCSA-N 270.332 3.506 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)c2cc(C#N)ccc2C)c1 1126438149 RZUQQALQABDCFF-HNNXBMFYSA-N 292.382 3.709 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC[C@H](C)CC1 1128187299 LXZMNGRYDJHGQD-SWLSCSKDSA-N 270.376 3.565 30 20 CHED C[C@@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)n2)[C@@H]1C 1161994397 ZRMQUTCNMKLVEN-FOGDFJRCSA-N 263.772 3.843 30 20 CHED CC(C)(CCCc1ccccc1)CN=c1cc[nH]cc1C#N 1185404295 OFQQCFHFOWFURS-UHFFFAOYSA-N 293.414 3.836 30 20 CHED Cc1cc(N2CCC(C)(c3ccccc3)CC2)ncc1C#N 1185826946 CXIOHCVIJSFGBV-UHFFFAOYSA-N 291.398 3.820 30 20 CHED Cc1cccc([C@H](C)Nc2ncc(C#N)cc2F)c1 1185906500 JJAGVTYEJBEPGH-NSHDSACASA-N 255.296 3.574 30 20 CHED Cc1ccccc1-c1cccc(CNc2n[nH]cc2C#N)c1 1202328843 MQMKFAIKCHXPHK-UHFFFAOYSA-N 288.354 3.869 30 20 CHED C=C(C)CCN(CCC)Cc1nc(O)c2sccc2n1 1257410795 FHJSJNSJPIGKJZ-UHFFFAOYSA-N 291.420 3.575 30 20 CHED CC(C)(C)CCNc1ncc(C#N)cc1Br 1306927158 GZEXLTRPZQDEHB-UHFFFAOYSA-N 282.185 3.564 30 20 CHED N#CCC1(CN2CCc3ccc(C(F)(F)F)cc3C2)CC1 1307996893 NLNFWQMFXJSHQJ-UHFFFAOYSA-N 294.320 3.757 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2C=CCCC2)n1 1320280392 SZRWGSLCCNOPSN-CYBMUJFWSA-N 255.365 3.771 30 20 CHED CC(=NNc1ccn(C)n1)C1(c2ccccc2)CCCC1 1321825238 IRFFCJGRNAQZGS-UHFFFAOYSA-N 282.391 3.720 30 20 CHED C=CCNC(=S)N[C@@H](c1cccc(F)c1)C(C)(C)C 1323562219 SNXDBSHSHZGRGL-ZDUSSCGKSA-N 280.412 3.563 30 20 CHED C=CCOCCCc1nnc(-c2ccccc2Cl)o1 1326066634 FWTKGGTWHGFSEN-UHFFFAOYSA-N 278.739 3.525 30 20 CHED C=C(C)CN(C)C(=O)/C=C\c1ccc(SC)s1 1329274730 QNZAWKLXRBJQJL-ALCCZGGFSA-N 267.419 3.518 30 20 CHED C=CCCCC(=O)Nc1ccc(-c2nc(C)c[nH]2)cc1 1331850510 QJUGYUXNROFLNA-UHFFFAOYSA-N 269.348 3.680 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(C(C)(C)C)s1 1335566804 JOFNWYPYQWOFQW-UHFFFAOYSA-N 275.417 3.531 30 20 CHED C=C(C)CCC(=O)N(Cc1ccccc1)C[C@H]1CCCO1 1335738010 CAKBEDFYZJZLHH-QGZVFWFLSA-N 287.403 3.551 30 20 CHED C=C(C)CCC(=O)NCc1ccc(F)cc1C(F)(F)F 1336945449 KPKUKMCZANTHAZ-UHFFFAOYSA-N 289.272 3.817 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)[C@H]1CCCC[C@H]1C 1336953439 HQKACSOBJJFDBP-WBMJQRKESA-N 288.366 3.738 30 20 CHED CC1(C)CCCC[C@H]1C(=O)Nc1cnc(Cl)cc1C#N 1337566445 BXVYIQXQOZHUJV-NSHDSACASA-N 291.782 3.762 30 20 CHED C=C(C)CCC(=O)N1CCC2(C=Cc3ccccc3O2)CC1 1338836706 HULPEUHZPGOFFQ-UHFFFAOYSA-N 297.398 3.810 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cc3c(s2)CCCCC3)C1 1344605224 OAJATJCDUKUZRP-DGCLKSJQSA-N 289.400 3.866 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1nc(C)c(C)s1 1345132029 AELHSWPZSREHMK-LBPRGKRZSA-N 279.409 3.722 30 20 CHED Cc1cnc(Cl)cc1C(=O)O[C@@H](C)CC(C)(C)C#N 1345419837 JQROJJMRVJTXBP-JTQLQIEISA-N 280.755 3.529 30 20 CHED C=C(C)CCC(=O)N1CCc2sccc2[C@H]1CC 1346700956 OCIHPWWSSIQXBJ-CYBMUJFWSA-N 263.406 3.940 30 20 CHED CC[C@H]1c2ccccc2CN1c1cccc(CC#N)n1 1352097422 OPQFAWUAWDMMNJ-INIZCTEOSA-N 263.344 3.619 30 20 CHED C[C@@H](NC(=O)CC1(C#N)CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2 1352334803 VPMDSKQJTIOZAM-FXUDXRNXSA-N 288.435 3.791 30 20 CHED Cc1cc(CNC[C@@H]2CCC[C@@H](C)C2)ccc1C#N 1461109604 JKUMUUJNELRQCF-UKRRQHHQSA-N 256.393 3.783 30 20 CHED CN(C)c1cc(NCc2cc(C#N)cs2)ccc1Cl 1461768714 RBSDVGUTXLDYSW-UHFFFAOYSA-N 291.807 3.951 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccccc1CC(C)(C)C 1464239026 KIAQQZIYFGYFBM-CQSZACIVSA-N 286.419 3.897 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1cc(F)cc(C#N)c1)CC2 1467148392 AZFAFUVJWBXPFN-UHFFFAOYSA-N 295.317 3.600 30 20 CHED Cc1csc2ncnc(N3CCc4ccc(C#N)cc43)c12 1472749768 XGQNYEHRIGKPNR-UHFFFAOYSA-N 292.367 3.566 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)[C@@H](C)c1ccsc1 1515324575 XCAYQRVYNZYXSZ-KBPBESRZSA-N 299.395 3.620 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C(C)=O)cc1 1526676206 IFJVSUHFVDHKRU-INIZCTEOSA-N 286.375 3.852 30 20 CHED CC[C@H](OC(=O)c1cc(C#N)ccn1)c1ccc(C)cc1 1528059160 SBDQSKJVGRWKAV-INIZCTEOSA-N 280.327 3.570 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCCC(C)(C)C2)cc1C#N 1535277682 RVIWXWVZPZXNFA-HNNXBMFYSA-N 271.360 3.992 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 1537592893 CYBDIQCGLVNKKG-GOEBONIOSA-N 284.403 3.811 30 20 CHED N#Cc1ccc(F)c(CNCc2cc3ccncc3s2)c1 1560590451 VWPSETMXFYBOEJ-UHFFFAOYSA-N 297.358 3.597 30 20 CHED C=C(CC)CNCc1ccc(-c2ccccc2C(=O)O)o1 1588607085 RZPSHDDEUBUWEE-UHFFFAOYSA-N 285.343 3.701 30 20 CHED C=C[C@H](Nc1cc(-c2ccc(C)o2)ccc1C)C(=O)O 1588702336 QIJYSCQYHCUDHD-ZDUSSCGKSA-N 271.316 3.615 30 20 CHED C[C@]1(C(=O)Nc2cc(F)cc(C#N)c2)CCc2ccccc21 1596856209 NVAUISCWFKXFRW-SFHVURJKSA-N 294.329 3.540 30 20 CHED CCc1ccccc1CC(=O)Nc1cc(C)cc(C#N)c1 1597280459 BWWNDDWQBGBXAP-UHFFFAOYSA-N 278.355 3.610 30 20 CHED C=C(CC)CSc1cccc(Cl)c1-c1nn[nH]n1 1602767717 LTEFVCBWTWKUGP-UHFFFAOYSA-N 280.784 3.578 30 20 CHED CC[C@H]1CCCC[C@H]1CNc1snc(C)c1C#N 1612432661 MZYOXKMGVDXWDW-RYUDHWBXSA-N 263.410 3.952 30 20 CHED CCCC1(CNC(=O)[C@H](C#N)CCc2ccccc2)CCC1 1631645839 VKUMJDIOJHJIII-KRWDZBQOSA-N 298.430 3.846 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 1639855652 RKHZZEVLSBLAGY-ZLDLUXBVSA-N 257.381 3.746 30 20 CHED CCCC[C@H](CC)CCCN(C)c1cncc(C#N)n1 1642958493 QGUQNDKUYJBZLF-AWEZNQCLSA-N 274.412 3.781 30 20 CHED N#Cc1cc2c(nc1OCc1ccc(F)cc1)CCCCC2 1644176554 PKZNPBYVRCDKNF-UHFFFAOYSA-N 296.345 3.940 30 20 CHED CC[C@H]1Cc2ccccc2CN1Cc1cccc(C#N)c1 1645200734 XTWYMSZMQMFLSR-IBGZPJMESA-N 276.383 3.895 30 20 CHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(CC2(CC#N)CC2)C1 1653461935 XHFCLYRFDOVNMV-CJNGLKHVSA-N 272.367 3.902 30 20 CHED Cc1ccnc(N[C@H]2CCC(C)(C)C[C@@H]2C)c1C#N 1655219669 MFSYFIVUWFDTCY-JSGCOSHPSA-N 257.381 3.888 30 20 CHED CC1(C)C(Nc2ncc(C#N)cc2Br)C1(C)C 1655227206 CVEGOODMOLJTPL-UHFFFAOYSA-N 294.196 3.562 30 20 CHED CCc1nc2ccc(NCc3cccc(C#N)n3)cc2s1 1659527866 QWAJWFNNSLOHCA-UHFFFAOYSA-N 294.383 3.737 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C)cc(C#N)c1 1662642350 FVFSCYWNKVFSEB-ZFWWWQNUSA-N 271.364 3.567 30 20 CHED Cc1ccc([C@H](C)CNCc2cc(C#N)ccc2F)cc1 1665662036 ISDQERSEESWVQV-CQSZACIVSA-N 282.362 3.899 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1ccc(CC2CCC2)cc1 1776149390 NRFPMLPHPPBOGR-KRWDZBQOSA-N 287.403 3.538 30 20 CHED N#Cc1cc(NC(=O)CCCc2ccccc2)ccc1F 51637573 YBMYKIQZKUIZIY-UHFFFAOYSA-N 282.318 3.659 30 20 CHED Cc1ccc(C(=O)OCc2ccccc2C#N)cc1C 7005333 QFTMSXFUMBOXHE-UHFFFAOYSA-N 265.312 3.532 30 20 CHED Cc1csc(CCNc2cccc(Cl)c2C#N)n1 57385924 PPEJIQIVVCLEED-UHFFFAOYSA-N 277.780 3.631 30 20 CHED Cc1nc(C#N)cc(Oc2cc(Cl)cc(Cl)c2)n1 308278771 LTJXUXUXCBWLRJ-UHFFFAOYSA-N 280.114 3.756 30 20 CHED C=CCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 8271840 SQDYUHTUKPBESA-UHFFFAOYSA-N 292.791 3.688 30 20 CHED C=CCCCC(=O)N[C@@H](CC)c1cc(F)ccc1F 175745090 HPZHJDHNHVCNLB-AWEZNQCLSA-N 267.319 3.888 30 20 CHED C#CCOc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 108522338 QYOUQFNBJMBJJS-AWEZNQCLSA-N 294.354 3.581 30 20 CHED C[C@H](CC(=O)Oc1ccc(C#N)cc1)c1ccccc1F 102600511 LGBCMNUIHFTLNE-GFCCVEGCSA-N 283.302 3.797 30 20 CHED Cc1cccnc1[C@@H](NCc1ccccc1C#N)C(C)C 172349975 DMNXPYLDGZXVHG-KRWDZBQOSA-N 279.387 3.749 30 20 CHED N#CCCCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 171523864 XTLSICXVJOKPRZ-NWDGAFQWSA-N 298.169 3.944 30 20 CHED N#Cc1cn([C@@H]2C=CCCC2)c2ccc(Cl)cc2c1=O 171793663 BHYJNKZIPLTQKO-CYBMUJFWSA-N 284.746 3.808 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccc(C)n1 112183643 AYNZGVCEIQTXSJ-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cc(OC)ccn1 470918901 OIAICACFDBWPRH-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1OCCCC 173720752 FYRCMGKIICPOPR-UHFFFAOYSA-N 291.391 3.787 30 20 CHED C=C(C)CCOC(=O)CCc1c(C)nn(CC(C)C)c1C 174799795 CJEHRRGDBBEVNG-UHFFFAOYSA-N 292.423 3.598 30 20 CHED C[C@@H]1c2ccccc2CCN1CCCC(C)(C)C#N 174852280 FOYPMEIKXBMHMX-CQSZACIVSA-N 256.393 3.936 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](CC)Oc1ccccc1Cl 176415457 RUMODWVLVHGEIO-YPMHNXCESA-N 281.783 3.578 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccoc1 177114711 BNUNVFKYSZNUJN-UHFFFAOYSA-N 296.370 3.523 30 20 CHED C[C@H](C(=O)N(CCC#N)CC1CC1)c1cc2ccccc2o1 176300284 UBFFQCXQWAYOJM-ZDUSSCGKSA-N 296.370 3.689 30 20 CHED CC(C)(C#N)C(=O)NCc1ccccc1Oc1ccccc1 62887388 WFDJMSDIAYDSQZ-UHFFFAOYSA-N 294.354 3.645 30 20 CHED N#Cc1cccc(CNc2ccc(SCCCO)cc2)c1 305181240 SEWRXSKSTIWLGG-UHFFFAOYSA-N 298.411 3.645 30 20 CHED Cc1ccc([C@@H](CNc2cccc(F)c2C#N)N(C)C)cc1 301111430 RSSVQOFBGCMCKM-GOSISDBHSA-N 297.377 3.721 30 20 CHED C#CCCCNC(=O)N(C)Cc1cccc(Cl)c1Cl 174097944 OBNDBPFGPRLDLK-UHFFFAOYSA-N 299.201 3.548 30 20 CHED C=CCOc1ccccc1CNc1c(C#N)cccc1C#N 302891298 POHBRDFWOCIVDZ-UHFFFAOYSA-N 289.338 3.607 30 20 CHED C=CCCCCNc1nc(-c2ccncc2)nc(C)c1C 302288452 WBVXNAJNSOHAMN-UHFFFAOYSA-N 282.391 3.924 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@@H](C)c1ccccn1)c1ccccc1 179167248 OVYLGHYVSKWGLU-HOTGVXAUSA-N 294.398 3.961 30 20 CHED Cc1ccc2ncc(/C=C/C(=O)c3ccc(Cl)nc3)n2c1 179412565 GRDUASNKOYTZJL-SNAWJCMRSA-N 297.745 3.587 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC(F)(F)C1 409656399 IFUJTMLWMQEAQW-SNVBAGLBSA-N 295.289 3.704 30 20 CHED N#CCCCCNC(=O)CCCCCc1cccs1 171749800 UCDQZAQFVCQBHE-UHFFFAOYSA-N 278.421 3.661 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)c2cc(C#N)cs2)c(C)c1 177052928 RIGKMJMGEAUJFJ-CYBMUJFWSA-N 298.411 3.598 30 20 CHED C=C(C)CN(CC)C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 129830617 SFOSOURCTWLFHC-QBBMROGASA-N 279.399 3.720 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1cccc(C#N)c1 172908627 WKSVNCAAFWTFQS-AWEZNQCLSA-N 262.356 3.505 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 175433389 CCQHTGIYZHZKPE-OFQRWUPVSA-N 272.392 3.539 30 20 CHED CSC1CCN(c2ccc(C#N)c(Cl)c2)CC1 306002709 PYRYDKVIORORBV-UHFFFAOYSA-N 266.797 3.543 30 20 CHED C=CC[C@@H](C(=O)NC1Cc2ccccc2C1)c1ccccc1 189101520 XOUIOJXRPULHDJ-LJQANCHMSA-N 291.394 3.630 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2ccccc2[C@H]1C 187985297 VBMOCKVGXXEUAJ-DYVFJYSZSA-N 257.377 3.735 30 20 CHED CC#CCCCC(=O)Nc1cccc(C(F)(F)F)c1 184864256 NCAGNONLFHSZEP-UHFFFAOYSA-N 269.266 3.838 30 20 CHED N#Cc1cccc(OCCCSc2ccc(O)cc2)c1 129877230 VUJYQNGLDLMRBJ-UHFFFAOYSA-N 285.368 3.825 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cccnc2Cl)cc1 72678913 MLXWPRHJBJPYJS-UHFFFAOYSA-N 299.761 3.604 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC 180396250 XBWDQPXQXOLHCQ-GOEBONIOSA-N 259.393 3.851 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(C(C)(C)C)cc1 210513131 HLOCGYQSOCZDEH-YFHOEESVSA-N 268.360 3.614 30 20 CHED CCN(CC)C(=O)Nc1cccc(C#Cc2ccccc2)c1 503990163 MFYZPQLAQJIGFZ-UHFFFAOYSA-N 292.382 3.960 30 20 CHED Cc1cc(COc2ccc(C#N)c(Cl)c2)ccc1C#N 447308642 GJRJMVBGARSPBR-UHFFFAOYSA-N 282.730 3.971 30 20 CHED C#Cc1cccc(N(C(=O)CC[C@@H]2CC[C@H](C)O2)C(C)C)c1 75200170 GKRNTQSWPDBIMB-YJBOKZPZSA-N 299.414 3.757 30 20 CHED C[C@H](C#N)Oc1ccccc1NCCCC(C)(C)C#N 182549920 RENAPAGPUYLJLR-CYBMUJFWSA-N 271.364 3.719 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccn1C(C)C 121601671 RVDIPPFXSGFPMA-UHFFFAOYSA-N 289.423 3.861 30 20 CHED Cc1csc(-c2cccc(C(=O)O[C@@H](C)CC#N)c2)n1 124969477 GNULYDQMCCSRGV-NSHDSACASA-N 286.356 3.578 30 20 CHED CC[C@@H](Sc1cc(C#N)ccn1)C(=O)c1ccccc1 77933990 RPJDJBWNAAKYDI-CQSZACIVSA-N 282.368 3.707 30 20 CHED CC(C)(CO)[C@@H](CNc1ccc(C#N)cc1)c1ccccc1 120812648 ZVMZOCFIAXTEOZ-SFHVURJKSA-N 294.398 3.772 30 20 CHED N/C(=N\OCc1ccc(C(F)F)cc1)c1ccsc1 185781800 WHQLRRXTSTZVTH-UHFFFAOYSA-N 282.315 3.523 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C(C)C)no1 412847382 YFAIIBGFOOPLAI-HNNXBMFYSA-N 298.386 3.715 30 20 CHED CC#CCCCC(=O)NCc1ccc(C)cc1OCC1CC1 185816679 JSKJDMBZZWMTGY-UHFFFAOYSA-N 299.414 3.594 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCc1c[nH]c2ccccc12 188331564 VUHVHJZRQBXUDO-SFHVURJKSA-N 284.403 3.819 30 20 CHED C[C@@H](NCCC1CC(F)(F)C1)c1ccc(C#N)cc1 453443392 XNUNEDPFKFVBGV-LLVKDONJSA-N 264.319 3.644 30 20 CHED CCc1cc(OC)ccc1CN(C)Cc1cccc(C#N)c1 503953594 PPNSYVLZYOECDY-UHFFFAOYSA-N 294.398 3.761 30 20 CHED C=C(Cl)CN(C)[C@@H](C)c1sc(CC)nc1C 130841433 AGPJIXDLOYTPGB-JTQLQIEISA-N 258.818 3.759 30 20 CHED C=C(Cl)CNCc1ccc(Br)c(C)c1 131667406 GRLWEXHNYARTOX-UHFFFAOYSA-N 274.589 3.600 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 181237874 NMQQJBLKEOKJCQ-OAHLLOKOSA-N 284.403 3.516 30 20 CHED C=CCCCOc1ccccc1I 70592617 IGHVHICIUUQRJG-UHFFFAOYSA-N 288.128 3.636 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)COc2c(F)cccc21 214124431 OOHCWRZWJKGKLI-POHAHGRESA-N 290.240 3.763 30 20 CHED CCCCCCCCn1ncc(Cl)c(Cl)c1=O 131921377 CUPCRJIJPTXXRP-UHFFFAOYSA-N 277.195 3.911 30 20 CHED CCCC[C@@H](CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 75276390 RINNTUSFQXMJJH-DZGCQCFKSA-N 272.392 3.952 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)c1ccccc1C 49639599 JACAKQKVEUYWDH-UHFFFAOYSA-N 278.355 3.728 30 20 CHED Cc1cc(O)nc2cc(/C(O)=N/[C@@H]3C[C@H]4CC[C@H]3C4)ccc12 329650091 KJBTZQPTHBLQPC-SLEUVZQESA-N 296.370 3.742 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1C[C@@H]1C 505738531 UEGBDXRMAAGNBI-QWRGUYRKSA-N 298.839 3.755 30 20 CHED OC(=Nc1cccc2ocnc12)C1CCSCC1 328847356 AQAWJXFBTLDVMX-UHFFFAOYSA-N 262.334 3.559 30 20 CHED COc1ccc(CN(C2CC2)[C@@H](C)c2ccco2)cc1C#N 135210475 GRXDLDZJQLFZQH-ZDUSSCGKSA-N 296.370 3.885 30 20 CHED C=CCNC(=O)Nc1c(CC)ccc(Cl)c1CC 43389271 SVZOEQGBPKBGBX-UHFFFAOYSA-N 266.772 3.772 30 20 CHED C=CCCC(=O)N[C@H](C)c1oc2ccccc2c1C 190635843 ZTKGOBLZMXZZBA-GFCCVEGCSA-N 257.333 3.885 30 20 CHED C[C@H](/N=C(/O)N[C@H]1CC12CCCCC2)c1cncc(F)c1 329309882 QRHGDLPLMHQODK-FZMZJTMJSA-N 291.370 3.508 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](CCC=C)c1ccccc1 133917399 OUTNLGLSZKKESP-RDJZCZTQSA-N 287.403 3.791 30 20 CHED O/C(=N/[C@@H]1CCCc2occc21)[C@H]1CCc2cccnc21 329334990 XOOKNCZMGVYSPF-UONOGXRCSA-N 282.343 3.739 30 20 CHED CC(C)(C(=O)NCCC#N)c1ccc(-c2ccccc2)cc1 427609869 QYGNXTAHKRSLRD-UHFFFAOYSA-N 292.382 3.661 30 20 CHED C=CCN(CCC#N)[C@@H](C)c1ccc(F)c(Cl)c1 428847320 UQIZNEIQIRVASO-NSHDSACASA-N 266.747 3.942 30 20 CHED N#CCSCCCN[C@@H]1CCC[C@@H]1Cc1ccccc1 191367303 MYMHSXAAJPHGGF-IAGOWNOFSA-N 288.460 3.634 30 20 CHED N#Cc1ccc(OC[C@@H]2CCC3(CCCCC3)O2)c(F)c1 228023144 ZZGJJJDNTIDULZ-AWEZNQCLSA-N 289.350 3.958 30 20 CHED CCCc1occc1/C(O)=N/C[C@@](C)(O)C1CCCCC1 330389426 NWANBTPOCNHADL-QGZVFWFLSA-N 293.407 3.868 30 20 CHED C=CCN(C(=O)NCc1ccc(C2CCC2)cc1)C1CC1 425913798 DCVUNRBXNPANOE-UHFFFAOYSA-N 284.403 3.814 30 20 CHED C[C@H]1C[C@H](CC(=O)N[C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 424976054 IXLNYYORKZMZTN-BYNSBNAKSA-N 276.424 3.647 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1CCCSCC#N 421010863 CQPQMMKNONDJPC-INIZCTEOSA-N 288.460 3.901 30 20 CHED Cc1nc(S[C@H]2CC[C@H](C#N)C2)c2ccccc2n1 334624956 RPHSEUTUYRVFDV-RYUDHWBXSA-N 269.373 3.723 30 20 CHED C=CCOc1ccc(CNCC2(SC)CC2)cc1Cl 193654951 WYUDVAQNZJBZHD-UHFFFAOYSA-N 297.851 3.890 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](C)OC1CCCCCC1 332049401 VSQSECHEDROVHT-PBHICJAKSA-N 294.439 3.559 30 20 CHED Cc1ncsc1CCSCc1ccc(F)cc1C#N 190935236 XFOUHEBGUUZYGA-UHFFFAOYSA-N 292.404 3.938 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)N(C)Cc2cccc(C#N)c2)C[C@H]1C 330811079 ATSNGYZEQZTYLV-CPUCHLNUSA-N 299.418 3.729 30 20 CHED C=CCC(CC=C)C(=O)Nc1c[nH]nc1-c1ccccc1F 338211492 JGFXOEYJYRWRID-UHFFFAOYSA-N 299.349 3.923 30 20 CHED CC(C)(C)c1ccc(N/C(O)=N/C[C@]2(C)CCOC2)cc1 330768827 YQBLKJFRMVAHTQ-KRWDZBQOSA-N 290.407 3.737 30 20 CHED C[C@H](NC(=O)C1(C#N)CCC1)c1ccccc1C(F)(F)F 332461124 JCGMZKKPRIHZAQ-JTQLQIEISA-N 296.292 3.576 30 20 CHED CC1(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 517476076 YFXYLEJSARVQAV-UHFFFAOYSA-N 274.389 3.627 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1ccc(C(=O)O)cc1 234272324 IOKPCEVWOKRRTI-UHFFFAOYSA-N 288.391 3.537 30 20 CHED C=CC1CCN(Cc2cnc(C3CCC3)s2)CC1 93359326 YQGUOKGVHUXMKM-UHFFFAOYSA-N 262.422 3.809 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(C#N)cc2)C1 336520883 KQOVVBFLCGBSJU-KBXCAEBGSA-N 277.371 3.536 30 20 CHED CCCC[C@@H](COC)N[C@@H](CCC#N)c1ccccc1 90665297 WHINXKKRHNSEEF-IRXDYDNUSA-N 274.408 3.826 30 20 CHED CCSc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1 335973528 NMAGTKCQTIBTEE-UHFFFAOYSA-N 288.416 3.564 30 20 CHED CCOCc1ccc(Nc2ncc(C#N)cc2Cl)cc1 439704513 CTNSLYARNQFXMY-UHFFFAOYSA-N 287.750 3.887 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccccc1Br 620864730 MQJJKNRUNNESRN-UHFFFAOYSA-N 296.208 3.924 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccsc1Cl 335388628 MUINYXFLUQVCSA-VIFPVBQESA-N 270.785 3.974 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1c[nH]c2ccccc12 97513329 XIYIPUMVWXGNBI-FNORWQNLSA-N 289.334 3.999 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc2ccc(F)cc2c1 343259365 NFELLJIYAQWGIV-LBPRGKRZSA-N 286.350 3.849 30 20 CHED C[C@@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCC#N)cc1 246345631 MLVCCZGKHFWGOK-OHFALNGGSA-N 284.403 3.676 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cnc3ccsc3c2)n1 524760507 LENBWZWJORAIBU-SNVBAGLBSA-N 299.380 3.551 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 432345553 GHMXQVXTSMYMQY-LSDHHAIUSA-N 290.382 3.583 30 20 CHED CCCN(CCCCC#N)[C@H]1C[C@@H](OCC)C1(C)C 246838448 CGORNNILHMSDDM-LSDHHAIUSA-N 266.429 3.596 30 20 CHED CC[C@H](C#N)OC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 247008549 RRTZCMIRPDNRMY-IKGGRYGDSA-N 279.339 3.789 30 20 CHED Cc1csc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)C2CC2)n1 248879223 KFRYZAUQXRSDMV-MRVWCRGKSA-N 275.421 3.575 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC/C(C)=C\c1ccccc1 435739059 FBNCFPACZJRZIN-FXIGXVRNSA-N 271.404 3.661 30 20 CHED C=CCCC(=O)N[C@H](CCCCOC)c1ccccc1 348808408 JSUHTSBZDYFLTP-MRXNPFEDSA-N 275.392 3.627 30 20 CHED CCC(CC)c1cc(C(=O)Nc2ccccc2CC#N)on1 344334425 GRDFRCQOKDCKQS-UHFFFAOYSA-N 297.358 3.897 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1nc(Cc2ccccc2)no1 248823129 GCKNHAUCYPJVIH-SOUVJXGZSA-N 299.418 3.912 30 20 CHED C=CCC(C)(C)c1noc(CSC[C@@H]2CCCCO2)n1 340831065 SNYBKNOMOWQQPQ-LBPRGKRZSA-N 296.436 3.726 30 20 CHED CC[C@@H](CNc1nc(C)ccc1C#N)Oc1ccccc1F 346840751 SLFUMWDFNGFUIN-AWEZNQCLSA-N 299.349 3.670 30 20 CHED CC(C)(C)c1nc(CC/N=C\c2ccccc2O)cs1 255558014 DGTGBDDPEJUNAA-YVLHZVERSA-N 288.416 3.808 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc3ncccc3c2)cc1 340096947 HCTHYEVMEFAHEU-UHFFFAOYSA-N 287.322 3.553 30 20 CHED Cc1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)[nH]c1C 600110378 ADDKPXFGBKKCFA-UHFFFAOYSA-N 296.418 3.556 30 20 CHED CC[C@H](NCCc1cccc(C#N)c1)c1cccc(OC)c1 343629182 XLOGTZBKNRWXCT-IBGZPJMESA-N 294.398 3.850 30 20 CHED C=C(C)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 524305869 FBZCTVQFZXEIHR-CQSZACIVSA-N 286.202 3.943 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(-c3ccco3)[nH]n2)n1 340785542 BXQZAGJWPOTACD-UHFFFAOYSA-N 284.319 3.573 30 20 CHED C[C@H](NCCCSCC#N)c1cc2cccc(F)c2o1 355770259 KLWCXKPIJVNCDE-NSHDSACASA-N 292.379 3.869 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(F)c(C)c2)c1 255330541 CNNJXNDWVYYXBZ-CLFYSBASSA-N 297.329 3.989 30 20 CHED CC(C)(C#N)CCN1Cc2ccccc2C2(CCC2)C1 352364059 YHCHBJUDKUDNSQ-UHFFFAOYSA-N 268.404 3.864 30 20 CHED C[C@@H](CCC#N)CN[C@@H](CN1CCCCC1)c1ccccc1 602534681 JCUCJRYIDAJREB-HKUYNNGSSA-N 299.462 3.743 30 20 CHED N#Cc1ccc(NCCOc2ccc3ccccc3c2)cn1 354210398 TYGVADBKJMKQET-UHFFFAOYSA-N 289.338 3.597 30 20 CHED C=CCn1c(SCC(=C)CC)nnc1-c1cccnc1 538011232 IYCMUKVQQMBYDK-UHFFFAOYSA-N 286.404 3.584 30 20 CHED N#Cc1nc(N2CC[C@H](c3ccccc3)C2)ccc1Cl 264540946 QWCWJLJCPXHNLQ-ZDUSSCGKSA-N 283.762 3.601 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)Cc1cccs1 537186366 RYIQCMKMLOCRGW-UONOGXRCSA-N 294.464 3.971 30 20 CHED C=CCCNc1cccc(CC(=O)OC(C)(C)C)c1 610259149 OTZWHOFSIOQQCG-UHFFFAOYSA-N 261.365 3.559 30 20 CHED C=CCCNC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 617616777 GYADISUSXAOLQR-HOTGVXAUSA-N 281.440 3.834 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H]1CCN(CC(F)(F)F)C1 449090141 LZDGLDZPOXOFHL-KGLIPLIRSA-N 292.389 3.595 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)C1CC1 536824057 ZTGJDQYZPBYSFF-LBPRGKRZSA-N 293.794 3.593 30 20 CHED C=CCCC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 535810398 JHGSRHMHEGMHAL-AWEZNQCLSA-N 271.404 3.924 30 20 CHED CC[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)C1CCCCC1 612119240 VUFPTOKOJHYIHE-RDJZCZTQSA-N 291.439 3.681 30 20 CHED C[C@H](NC(=O)N[C@@H](C)c1cccs1)c1cccc(C#N)c1 610347188 UQNGEZCJQISYEG-RYUDHWBXSA-N 299.399 3.741 30 20 CHED C=CCN(CC=C)C(=O)Nc1c(C)cc(OC)c(C)c1C 352913185 UYFWNKFPZOIQHE-UHFFFAOYSA-N 288.391 3.826 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CCCC1(C)C 443869583 PIEOQUUXWVJYCN-LZWOXQAQSA-N 291.435 3.585 30 20 CHED Cc1ccc(N/C(N)=N\[C@H]2c3ccccc3O[C@H]2C)cc1C 262334275 YXPLOISTKMIWNR-SUMWQHHRSA-N 295.386 3.552 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2CCO[C@@H](CC(C)C)C2)n1 611467832 DSPCOGNONUVONF-GJZGRUSLSA-N 287.407 3.576 30 20 CHED CCc1cc(C)nc(Sc2ccc(C#N)cc2F)n1 613281566 MIYLDJFUIVSTOT-UHFFFAOYSA-N 273.336 3.509 30 20 CHED Cc1cn(Cc2csc(CCC(C)C)n2)cc1C#N 533228169 NVVLFKQNSGZECQ-UHFFFAOYSA-N 273.405 3.762 30 20 CHED CC1(CNc2ncc([N+](=O)[O-])cc2C#N)CCCCCC1 539551407 YOGZKVXUNLQOQS-UHFFFAOYSA-N 288.351 3.634 30 20 CHED Cc1ccc2sc(C(=O)NCCCCC#N)cc2c1 354269544 SQFMCLRRYBQWMZ-UHFFFAOYSA-N 272.373 3.633 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)CCCC1 456253181 NJXVQEGHQMJNSL-HOTGVXAUSA-N 273.420 3.770 30 20 CHED CCC1(CC)[C@@H](NCc2ccc(C#N)cc2C)C[C@H]1OC 617547727 KUTDLBRJQDMSDV-DLBZAZTESA-N 286.419 3.550 30 20 CHED C=CC(C)(C)CNC(=O)C1(c2ccc(F)cc2F)CCC1 452772013 CLDYOVLHAQAPOM-UHFFFAOYSA-N 293.357 3.715 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CC23CCC3)cc1 610739204 ZRGYIJVZNWOJJI-CVEARBPZSA-N 296.414 3.855 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1cccs1 535783214 MCBQAFMZEGAJKV-UHFFFAOYSA-N 273.401 3.945 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(F)ccc1OC 537225175 NXACFTIOGHCOKR-LLVKDONJSA-N 280.343 3.701 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 452780432 XPYVOPYQUIDSDT-KBPBESRZSA-N 277.795 3.772 30 20 CHED C=C(C)CN(C)C(=O)C1=C(c2ccccc2)CCC1 450677372 YXYRBNUGKFMMPR-UHFFFAOYSA-N 255.361 3.659 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC(C)(C)C1=CCCC1 457186104 SHPDEGHJLOBBKS-UHFFFAOYSA-N 282.387 3.733 30 20 CHED CC(C)CN(C(=O)[C@@H]1CC[C@H](C)C1)c1ccc(C#N)cc1 538463645 BOBHLCWWPVHKOY-GOEBONIOSA-N 284.403 3.983 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1nccc2c(OC)cccc12 450501475 PRVHWXRYUGQUDY-GUYCJALGSA-N 298.386 3.637 30 20 CHED N#CCCCC(=O)Nc1ccc(Oc2ccccn2)cc1 360361968 GJUKWDAGZZWWPP-UHFFFAOYSA-N 281.315 3.506 30 20 CHED Cc1nc(CN(C)Cc2ccc(Cl)cc2C#N)cs1 360073638 WAPJHACWGHTOOZ-UHFFFAOYSA-N 291.807 3.609 30 20 CHED C=CCCc1noc(CSc2ccc(OCC)cc2)n1 453249910 WDEWZBDNPQDDIF-UHFFFAOYSA-N 290.388 3.879 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CCC1 276912813 PKHKKVHUWXIEMW-OAHLLOKOSA-N 287.378 3.888 30 20 CHED CC(C)CN1CCCC[C@H]1CN[C@@H](C)c1cccc(C#N)c1 540606660 MUVMZJGBIOZJPH-LPHOPBHVSA-N 299.462 3.719 30 20 CHED C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@H](C)CC 365175754 HUFSJETVFADHFI-CQSZACIVSA-N 295.386 3.558 30 20 CHED CC[C@@H](NCc1csc(C)n1)c1ccc(C#N)cc1 618565412 ZEOGOEMATQOQJE-OAHLLOKOSA-N 271.389 3.564 30 20 CHED C=CCCCC(=O)NCc1ccc(-c2ccncc2)cc1 364383861 XYFRRLZOMHONAR-UHFFFAOYSA-N 280.371 3.721 30 20 CHED CC[C@@H](NCCc1nc(C)cs1)c1ccc(C#N)cc1 618562598 QTYFAVXWXSOUOT-OAHLLOKOSA-N 285.416 3.607 30 20 CHED CCCC[C@H](CCC)NC(=O)N1CCC[C@@](C)(C#N)C1 612135217 RBASRACQFKFLPL-HOCLYGCPSA-N 279.428 3.681 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](c1ncccc1C)C(C)C 454509526 GDMYVWZQARJZNK-AWEZNQCLSA-N 289.423 3.599 30 20 CHED CO[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1Cl 613255467 GGVVFUFZXNVKED-WOSRLPQWSA-N 292.810 3.699 30 20 CHED CC1(C#N)CN(Cc2cc(Cl)cc(C(F)(F)F)c2)C1 459590939 KHYMAWXXKVNASD-UHFFFAOYSA-N 288.700 3.704 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc(-c2ccccc2)ns1 278316268 JMDMBDKHIVUIQR-UHFFFAOYSA-N 285.372 3.688 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccnc(Oc3ccccc3)c2)C1 619671993 GYGNLEHGBUOFIN-HOCLYGCPSA-N 293.370 3.656 30 20 CHED CC#CCCCC(=O)Nc1c(F)cccc1NC1CC1 274617345 OVFJQFOMFKABSW-UHFFFAOYSA-N 274.339 3.532 30 20 CHED C=CCN(C(=O)CCc1cccc(OC)c1F)C(C)(C)C 622945604 KTPHKJGCGGFRIN-UHFFFAOYSA-N 293.382 3.580 30 20 CHED N#Cc1ccc(/C=C\c2nc(-c3cccc(F)c3)no2)cc1 545526070 BQGQPZYYYHBMAF-HJWRWDBZSA-N 291.285 3.918 30 20 CHED CC[C@@H](CC#N)NCc1ccc(-c2ccccc2F)o1 273851688 KDUAJKQEDOCJFX-LBPRGKRZSA-N 272.323 3.868 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)C(C)(C)C 622944519 VYPXVGVJIICSJF-OLZOCXBDSA-N 293.357 3.881 30 20 CHED N#CCN(C/C=C/c1ccc(F)cc1F)C1CCCC1 541770160 CJQYKGXNVDGCPV-ONEGZZNKSA-N 276.330 3.746 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(-c2nnc(C)o2)cc1 620859243 YYTMZNFNQNPGST-UHFFFAOYSA-N 299.374 3.520 30 20 CHED C=CCCc1noc(/C=C(/C)Cc2ccccc2OC)n1 453246425 JGWYZRUTSJMEMG-SEYXRHQNSA-N 284.359 3.843 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1cccc(C)c1C 276061515 BWIIEIYZUWVSCA-CQSZACIVSA-N 260.381 3.582 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H]2C[C@H]2Cc2ccccc2)c1 543434820 NGIKVXBLBCPTKS-MJGOQNOKSA-N 290.366 3.804 30 20 CHED C=CCCCCCSCc1nnc2n1CCCC2 278241949 BBDFNPNTVIXTPJ-UHFFFAOYSA-N 265.426 3.594 30 20 CHED C=C(C)CCN[C@H](CCO)c1cc(Cl)cc(Cl)c1 626101410 RQMBNYBCCSQDRU-CQSZACIVSA-N 288.218 3.973 30 20 CHED CC(C)(C#N)CCCOc1ccc2c(c1)CCCC(=O)N2 270568446 APFAPXDHOXUQDR-UHFFFAOYSA-N 286.375 3.670 30 20 CHED C#CCC1(C(=O)N(C)c2nc3ccccc3o2)CCCCC1 276284279 FWJGFULHOLPPSH-UHFFFAOYSA-N 296.370 3.764 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)C1CCC(F)(F)CC1 467447336 SDWYYXHNWJJUHL-ZDUSSCGKSA-N 292.373 3.904 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCCCC1 372634587 HUWXLZREYXVTOU-ZWKOTPCHSA-N 296.414 3.865 30 20 CHED C=CCC[C@@H](N[C@H](CCO)c1ccco1)c1ccco1 285494545 ANZLMDOXXUHDBH-ZIAGYGMSSA-N 275.348 3.593 30 20 CHED C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CC 460309309 JNRAYLRGPKLQQR-UHFFFAOYSA-N 298.434 3.657 30 20 CHED C=CCC1(C(=O)Nc2ccc(C(=O)CC)cc2)CCC1 628694276 OVRXHUPWUBQKDR-UHFFFAOYSA-N 271.360 3.964 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 286085047 JWYYUYDFWNESQT-QRVBRYPASA-N 295.426 3.975 30 20 CHED CSc1ccc([C@@H](C)NCCCSCC#N)cc1 281316695 IKHQWVMXUJOXHF-GFCCVEGCSA-N 280.462 3.706 30 20 CHED N#Cc1cccc(CN[C@H]2CCC[C@@H]2CCCF)c1 282849382 XBQXIQSAZVMJQE-CVEARBPZSA-N 260.356 3.566 30 20 CHED C#CCCCCN[C@@H]1CCC[C@H](c2ncccc2C)C1 281652015 PSSHXDJGWYWIIL-DLBZAZTESA-N 270.420 3.809 30 20 CHED CO[C@](C)(CNc1ccc(C#N)cc1C(F)(F)F)C1CC1 461877702 OIDIPTLKQDPSIC-CQSZACIVSA-N 298.308 3.804 30 20 CHED CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@H](C)C#N 469382695 AEWZELRLXYJNCO-NVXWUHKLSA-N 286.419 3.796 30 20 CHED C=CCCN(C)C(=O)C[C@H](C)c1ccc(CC)cc1 466637032 WLMRKGJNVLRLLB-AWEZNQCLSA-N 259.393 3.777 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)c1cc(C#N)ccc1Cl 285810946 MRNSRJJFQQXBLU-JQWIXIFHSA-N 276.767 3.615 30 20 CHED C=C(C)CCc1noc(CSc2ccc(OC)cc2)n1 285053883 HRQXZQONDQALKC-UHFFFAOYSA-N 290.388 3.879 30 20 CHED CC(C)(C)CCCCC(=O)NCc1cccc(C#N)c1 557412244 HRFHOODSIVRRGJ-UHFFFAOYSA-N 272.392 3.781 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cc2cc(F)ccc2o1 554095750 HBEQANGXUMZUDI-UHFFFAOYSA-N 288.322 3.632 30 20 CHED CO[C@@H](C1CC1)[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 388337820 IDNUPSCFOCQFQR-YMTOWFKASA-N 298.308 3.802 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 552136565 CGBTWJOZGQSEGV-RDTXWAMCSA-N 286.419 3.797 30 20 CHED Cc1cc(COC(=O)c2cc[nH]c2C(C)C)ccc1C#N 803780830 ILIMRDWBIJCTRU-UHFFFAOYSA-N 282.343 3.675 30 20 CHED C#CCN(CC)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 807623791 PIKWEKXTQWDYGX-CYBMUJFWSA-N 298.361 3.705 30 20 CHED C#CCCCN(CCC)[C@H](C)CC(=O)Nc1ccccc1 800466418 AAFMZFVQPLFLFZ-MRXNPFEDSA-N 286.419 3.529 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 471713565 NHKZIVSBGTVIAL-VXGBXAGGSA-N 279.330 3.541 30 20 CHED Cc1cccc(C)c1CN1CCC[C@@]2(CCCCO2)[C@H]1C#N 560027537 ZZHBZDIPTGDVKH-MOPGFXCFSA-N 298.430 3.731 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cc(C)c(Cl)c(C)c1 296636202 CYQHCPVGCFTWFS-UHFFFAOYSA-N 291.782 3.890 30 20 CHED C=CCOCC(=O)O[C@H](CC(C)C)c1ccccc1OC 806089155 NIHKUCXAHMANSC-MRXNPFEDSA-N 292.375 3.528 30 20 CHED O=C(/C=C\c1ccn(-c2ccccc2)n1)c1cccc(F)c1 299737140 BWZQVKYOXXOYHN-KTKRTIGZSA-N 292.313 3.908 30 20 CHED C=CCN(CCc1ccccc1)[C@H](C)c1ccc(C(=O)O)o1 566358964 AMSBOLLJWJJDBI-CQSZACIVSA-N 299.370 3.770 30 20 CHED C=CCC[C@@H](C(=O)N(CC=C)CCC#N)c1ccccc1 294013622 ZRKVWFLZQZXOCL-QGZVFWFLSA-N 282.387 3.665 30 20 CHED C=CCCCN[C@H](C)c1cc(Cl)cc(C)c1O 808719032 SGICDHXIAXZTIL-LLVKDONJSA-N 253.773 3.971 30 20 CHED CC1CCN(c2cccc(NC(=O)CCCC#N)c2)CC1 292085758 JTBYNUSTNFVFCN-UHFFFAOYSA-N 285.391 3.555 30 20 CHED C[C@@H](C#N)CN(C)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 299310991 WBFUUUNUFOZQEU-FSIBCCDJSA-N 297.185 3.625 30 20 CHED C=CCCCCNC(=O)COc1cccc(C(C)C)c1 471684907 LJTWKZJBCOSJTR-UHFFFAOYSA-N 275.392 3.661 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(OC)cc2)CCCC1 569698570 SFNMUCCMBKNORU-UHFFFAOYSA-N 273.376 3.795 30 20 CHED C=C(C)CCNc1cc(F)ccc1OC[C@H]1CCCO1 568680669 NSSXGTXXGORWGU-CQSZACIVSA-N 279.355 3.762 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCc2ccccc2C1 644802709 KTPTYAULEPKXID-CQSZACIVSA-N 271.404 3.510 30 20 CHED Cc1cc(C(=O)OCc2cc(C#N)ccc2F)c(C)s1 804597118 CNOUSVBJQHLOIT-UHFFFAOYSA-N 289.331 3.733 30 20 CHED CCCCOc1ccc(NCCO[C@H](C)C#N)c(C)c1 802740711 HVHXMECCIUANFW-CQSZACIVSA-N 276.380 3.515 30 20 CHED Cc1ccc2oc(C(=O)OCCCSCC#N)cc2c1 805422295 ATSMRPLAQYVZOA-UHFFFAOYSA-N 289.356 3.545 30 20 CHED C=CCOCCCc1nc([C@H]2CCCC[C@@H]2CC)no1 567359054 HZMGRIRFRHGPKU-KBPBESRZSA-N 278.396 3.889 30 20 CHED C#CCC(C)(C)C(=O)NCC(C)(C)c1ccc(C)cc1C 814144193 NIANSUVZWWWSGJ-UHFFFAOYSA-N 285.431 3.747 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1C=CCCC1 563692789 PHASXOPZKSMSJO-RDTXWAMCSA-N 294.398 3.798 30 20 CHED C=C[C@H]1CCCCN1CCCc1nc(-c2ccccc2)no1 489473228 JDZKXPTUICTDDU-INIZCTEOSA-N 297.402 3.710 30 20 CHED CC(C)(C)c1cnc(C=NNc2cc(Cl)ccn2)s1 814898995 ZOZRTUKYBRIMBL-UHFFFAOYSA-N 294.811 3.935 30 20 CHED C=CCC(F)(F)C(=O)N(CCC)Cc1ccc(C)cc1 814892384 DGWWETNOFOJBHY-UHFFFAOYSA-N 281.346 3.945 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1OCCC(C)C 654180696 HUHQDRVUJRGENW-UHFFFAOYSA-N 276.380 3.761 30 20 CHED Cc1ccccc1C(=NOCCOC(C)C)C1CC1 812238300 WXWSSJMTRLMTHT-UHFFFAOYSA-N 261.365 3.551 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(OCC)c(F)c1 488345104 INYAFDWCAABKSY-ZDUSSCGKSA-N 292.354 3.797 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(OC)c1 488872348 AGIUYMYYFBXEOB-LBPRGKRZSA-N 279.767 3.529 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(F)ccc2OC)cc1 812239878 GLVCHMUQIWPUTK-WEVVVXLNSA-N 286.302 3.739 30 20 CHED CC(=NNc1ccccc1Cl)c1cccc(CO)c1 814691276 ULDDQHKVKPYUMX-UHFFFAOYSA-N 274.751 3.668 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1coc2ccccc12 811666151 YWMINXWECUOGRS-AWEZNQCLSA-N 294.354 3.824 30 20 CHED N#Cc1ccc(CN2CCc3c(F)cc(F)cc32)cc1F 483969679 ALXQXLMNCGXNAF-UHFFFAOYSA-N 288.272 3.538 30 20 CHED C=CCC(C)(C)CNC[C@@H](O)c1ccc(Cl)c(F)c1 819331393 SOXIDZAWMXMRRW-CQSZACIVSA-N 285.790 3.704 30 20 CHED C#Cc1ccc(C(=O)N(c2ccc(CC)cc2)C(C)C)nc1 813259477 JLQQOWJMCYKRAG-UHFFFAOYSA-N 292.382 3.681 30 20 CHED C/C=C/c1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 576376465 UHJQVAISNHYQBV-NSCUHMNNSA-N 297.745 3.892 30 20 CHED C=CCC1(CNCc2ccnn2CCC)CCCC1 657486289 WFXCEGFYVMTMNA-UHFFFAOYSA-N 261.413 3.519 30 20 CHED C=CCOCCOC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 813894504 LVXJBIIXFNLCKP-QZTJIDSGSA-N 296.366 3.689 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc(C)n1)c1ccc(Cl)cc1 810204187 LAVRAZVTKQBFBI-CQSZACIVSA-N 299.761 3.539 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 486483810 DFSXXGOVDMYSCP-CWRNSKLLSA-N 272.392 3.587 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](C)c1ccccc1C 488391617 YSWIQVIVZIXEKK-HNNXBMFYSA-N 282.387 3.816 30 20 CHED C=CCCCNC[C@H](O)c1ccc(Cl)cc1Cl 819272684 DBIPLSPPJFGFSA-ZDUSSCGKSA-N 274.191 3.583 30 20 CHED C=CCC(C)(C)c1noc(-c2c(C)noc2C2CC2)n1 815704292 DBPKBKLWWMOTSB-UHFFFAOYSA-N 273.336 3.764 30 20 CHED CC1(C)CCC[C@H](C=NNC[C@H]2CCSC2)C1 811657213 IDEPROCBLVCFPX-QWHCGFSZSA-N 254.443 3.531 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1cccc(OCCC)c1 488875421 GFODGVYGOGBDLX-INIZCTEOSA-N 287.403 3.585 30 20 CHED Cc1cc(/C=C2\Oc3cc(O)cc(C)c3C2=O)ccc1F 729150916 PUMCTNQKHGKEPE-CHHVJCJISA-N 284.286 3.764 30 20 CHED CCC[C@@H](/N=C/c1c(O)cccc1OC)c1ccccn1 729149657 MXVZRYGMZMGUQQ-ONDHQXCVSA-N 284.359 3.756 30 20 CHED COc1ccccc1/C(C)=C/C(=O)Nc1cccc(C#N)c1 727294270 XLBKKHAWZRUVEH-JLHYYAGUSA-N 292.338 3.609 30 20 CHED Cc1ccccc1C1(C(=O)N(C)CC(C)(C)C#N)CCCC1 497365280 JXKIWLOMBNIUNW-UHFFFAOYSA-N 298.430 3.815 30 20 CHED C[C@@H](CC(=O)N(C1CC1)C1(C#N)CCC1)CC(C)(C)C 585747958 DPWXHJNOWUGWLD-ZDUSSCGKSA-N 276.424 3.886 30 20 CHED C=C[C@@H](CC)Cc1nc([C@H](OCC)C(C)C)no1 904130285 LJPZGUOAMDNTQC-WCQYABFASA-N 252.358 3.558 30 20 CHED Cc1ccccc1[C@H](C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 905928338 AZNMNBWKZCQTEI-SOUVJXGZSA-N 271.360 3.724 30 20 CHED CCc1cnc(COc2ccc(C(F)(F)F)c(C#N)c2)o1 589271429 SSDIQLMHDAOUAQ-UHFFFAOYSA-N 296.248 3.706 30 20 CHED C=CCC(C)(C)c1noc(-c2coc(-c3cccnc3)n2)n1 664890919 ITSUYLPZFBLRRR-UHFFFAOYSA-N 296.330 3.640 30 20 CHED C=CCc1cc(OCC)cc(CN(C)CC(C)(C)C)c1O 738089531 LHWDHSAPZGQNAU-UHFFFAOYSA-N 291.435 3.997 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)[C@H](C)C1CCCCC1 497836148 NEOONAWTEOWNKC-KBPBESRZSA-N 266.429 3.809 30 20 CHED C=CCC1(C(=O)N=[S@](C)(=O)c2cccc(F)c2)CCC1 906345465 OWVJEVCKLZMWBB-HXUWFJFHSA-N 295.379 3.555 30 20 CHED CC(C)C[C@@H]1C[C@H]1NCc1ccc(O[C@H](C)C#N)cc1 839162416 AZINJAYRNUMGCK-FRFSOERESA-N 272.392 3.502 30 20 CHED C=CCC[C@@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccco1 903440534 PLEDTGAVMQISSJ-RYRKJORJSA-N 283.371 3.535 30 20 CHED CC(C)=CCC[C@H](C)CC=NNc1ccnc(N(C)C)n1 739418275 MCJIOPLFDRKRMZ-AWEZNQCLSA-N 289.427 3.713 30 20 CHED C#CCOc1ccc(NC(=O)Nc2cccc(C)c2C)cc1 733634350 POKVCKRXJSJRJJ-UHFFFAOYSA-N 294.354 3.959 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCCCC(C)(C)C#N 838118400 UWGMGPGWOSIHHB-SNVBAGLBSA-N 279.302 3.838 30 20 CHED C=CCC[C@H](NCCOC1CCSCC1)c1ccco1 903446144 MQMYYFYQQSOXEU-HNNXBMFYSA-N 295.448 3.789 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C1 839044129 PIHCVGARFFVYPU-GWCFXTLKSA-N 297.276 3.945 30 20 CHED C#C[C@@H](NC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)C(C)C 838596529 RDZOBFUEOCJYCS-XJKSGUPXSA-N 290.382 3.576 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc2ccccc2c1O 903033466 UUCDJXYJJKNYTE-ZDUSSCGKSA-N 280.371 3.890 30 20 CHED C=CCON=C(C)c1ccc(SC(F)F)c(OC)c1 835015860 NFNJSIJWKGVOPW-UHFFFAOYSA-N 287.331 3.937 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1c(C)nn(C)c1Cl)C2 730949385 UYLRZBWAXARLJI-WQLSENKSSA-N 286.762 3.513 30 20 CHED C=CCCc1nc(-c2ccsc2C(F)(F)F)no1 904924551 HOHJZCUEBHVTMR-UHFFFAOYSA-N 274.267 3.936 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1CC(F)(F)F 837436838 FYUDNRASNMLNHL-UHFFFAOYSA-N 283.293 3.779 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(c1ccc(CC)cc1)C(C)C 839359011 YALQXMKQSSRGSK-SJORKVTESA-N 287.403 3.582 30 20 CHED CCCCCCCCCN(C)C(=O)C[C@H]1CCOC1 739524783 LYDTXCIDGOMKLB-OAHLLOKOSA-N 269.429 3.622 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F 835658728 TUMJLLHQXLPMIC-JTQLQIEISA-N 291.656 3.709 30 20 CHED Cc1cc([C@@H](C)NC(=O)C#CC(C)(C)C)c(C)s1 837334771 CTUSLYNYKOXTAD-LLVKDONJSA-N 263.406 3.592 30 20 CHED CCCCCOc1ccc(C(=O)N(CC)[C@H](C)C#N)cc1 598346854 PMEZPKRLOFJZQS-CQSZACIVSA-N 288.391 3.630 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(C(F)(F)F)cc1 915988783 HLHPCHHAQHWVDC-FPLPWBNLSA-N 294.276 3.941 30 20 CHED C#CCCCCC(=O)NC[C@H]1CCC[C@H]1c1ccccc1 833598768 MLJVYTVYBOFNPD-MSOLQXFVSA-N 283.415 3.880 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1cccc(N2CCCC2)c1 837463212 HXPMICSNJARFFS-HNNXBMFYSA-N 298.430 3.514 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)C1CC1 678495922 HVPNDSONBNSZRR-LLVKDONJSA-N 297.320 3.986 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(F)c(Cl)c2)C1 839050353 AUCJYQVIAZIYQJ-ONGXEEELSA-N 281.714 3.718 30 20 CHED C=CCCSCCNC(=O)[C@@H]1CCC(C)=C(C)C1 597974034 XPOYMNZLAQBWLO-CQSZACIVSA-N 267.438 3.548 30 20 CHED C=CCCOCCCCC(=O)N1CCc2c(C)cccc21 678823793 BUQHJHRRKBHKCV-UHFFFAOYSA-N 287.403 3.647 30 20 CHED C=C(C)COC(=O)CCCc1ccc(Cl)cc1 919388979 URTSYWKHHXQAFA-UHFFFAOYSA-N 252.741 3.782 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1ccc(-c2cccs2)cc1 597975664 JGYQQWYZTKYUDZ-QGZVFWFLSA-N 298.411 3.971 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 590748555 FVJUQFFXBHAFFH-YOEHRIQHSA-N 284.403 3.734 30 20 CHED CCCCCC[C@](C)(CC)C(=O)N(CC)CC#N 744347700 PKGVHFLRAKEITK-HNNXBMFYSA-N 252.402 3.745 30 20 CHED CC(=NNc1cncc(Cl)n1)c1ccc(C)cc1C 914557757 XOGOMTRDBCJBAC-UHFFFAOYSA-N 274.755 3.583 30 20 CHED COc1ccc([C@@H](C)/N=C\c2c(O)cccc2OC)cc1 745624656 MDVONIYWNYJICX-OTWJJXBCSA-N 285.343 3.590 30 20 CHED CC(=NNC(=S)Nc1cc(C)ccc1C)c1ccco1 915912062 IRFHWAOJQDRKAG-UHFFFAOYSA-N 287.388 3.607 30 20 CHED Cc1nc(Cl)cc(NN=CC2CCCCCC2)n1 741842125 FMEGVUILEPPZLH-UHFFFAOYSA-N 266.776 3.807 30 20 CHED CCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1C#N 917082285 OLXXDYJUZMEBAC-UHFFFAOYSA-N 295.342 3.535 30 20 CHED C#CCNC(=S)Nc1ccc(SC(C)(C)C)c(F)c1 840789811 LAHMFCSSANOBLK-UHFFFAOYSA-N 296.436 3.636 30 20 CHED CCCCC[C@H](C)CC(=O)N(CCC#N)CC(C)C 742590571 TWWZWTUBWUOTRI-HNNXBMFYSA-N 266.429 3.991 30 20 CHED N#C[C@H](C(=O)[C@@H]1Cc2ccccc21)c1ccc2ccccc2n1 744015110 GQOIVENSDSHXKG-SJORKVTESA-N 298.345 3.751 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1c(C3CC3)cnn1C)C2=O 849249461 HRPFHUOBEUGTIG-DHDCSXOGSA-N 292.382 3.737 30 20 CHED CC(C)[C@H]1CCCCN1c1nc(C#N)c(Cl)s1 596130761 FWCJQSNTWRMIPL-SNVBAGLBSA-N 269.801 3.683 30 20 CHED CCCC(C)=NNC(=S)Nc1ccc(OCC)cc1 915927169 YYMASIVOHBTDLV-UHFFFAOYSA-N 279.409 3.548 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1cnn(-c2ccccc2)c1 746347595 MEUWUJDKUYCKPI-DHZHZOJOSA-N 292.313 3.908 30 20 CHED Fc1cc2nc(NN=C/C=C/c3ccccc3)[nH]c2cc1F 912817807 ULAHZGJTMXZYTH-DEBRJUMYSA-N 298.296 3.952 30 20 CHED Cc1cc([C@@H]2CCCN2c2c(Cl)cccc2C#N)no1 742391808 GPROOSOCPYRATM-AWEZNQCLSA-N 287.750 3.850 30 20 CHED Cc1csc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)n1 599044608 QRZBTBPSDHJRTQ-XHDPSFHLSA-N 283.400 3.661 30 20 CHED CC(C)c1cnc(SCCc2ccc(C#N)cc2)n1C 594889374 DAMGDFASNXVXLM-UHFFFAOYSA-N 285.416 3.750 30 20 CHED COc1cccc(O)c1C=Nc1cccc(F)c1C 745977424 VKURKEIBJDAHGN-UHFFFAOYSA-N 259.280 3.599 30 20 CHED N#CCCCCCC(=O)Oc1ccc(Cl)c(F)c1F 841315806 IHUGAODKPREGDS-UHFFFAOYSA-N 287.693 3.998 30 20 CHED Cc1ccc(CCC(=O)OCCCCC#N)cc1Cl 914624122 ITYNPEBIXURVJD-UHFFFAOYSA-N 279.767 3.818 30 20 CHED CCCCCCCOC(=O)CSc1nc(C)cc(C)n1 918494092 MWHDXMKPFBYSSI-UHFFFAOYSA-N 296.436 3.699 30 20 CHED Cc1ccccc1N=C1NC(=O)/C(=C\c2occc2C)S1 742346952 SBDITFYBJMHIAY-NTEUORMPSA-N 298.367 3.788 30 20 CHED COCc1cccc(C=NNc2cccc(C)c2)c1 743417290 GSSOYAVXSVOMKS-UHFFFAOYSA-N 254.333 3.587 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 593598474 KVQMHUFFMQSKAI-VIFPVBQESA-N 296.317 3.630 30 20 CHED Cc1csc([C@H](C)CNc2ccc(C#N)cc2C)n1 846750876 XBEKMHPWXNTMPN-LLVKDONJSA-N 271.389 3.847 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3ccc(C)cc32)CCC1 682894253 VYCAVGMSHYBNLE-INIZCTEOSA-N 269.388 3.845 30 20 CHED CC(=NNCC(F)F)c1cc(F)c(Cl)cc1Cl 740617675 MRYNRBLMVIZSNW-UHFFFAOYSA-N 285.096 3.711 30 20 CHED CCn1cc(C(C)=NNc2cccc(C(F)(F)F)c2)cn1 920987509 WTKKSYBYCDRXAI-UHFFFAOYSA-N 296.296 3.758 30 20 CHED C#Cc1cccc(NC(=O)C[C@H]2CCCC[C@@H]2C)c1 920434126 PWBVXOZIRYQVMP-DZGCQCFKSA-N 255.361 3.823 30 20 CHED C=CCSCCN[C@H](C)c1ccc(C)c(C)c1O 756683516 RHYZKFMOJRLRTD-CYBMUJFWSA-N 265.422 3.579 30 20 CHED C=CCCOCC(=O)N1CCC[C@@H](C)c2ccccc21 680411862 ZIGSPYHHNFEVKV-CQSZACIVSA-N 273.376 3.510 30 20 CHED C(=NO[C@@H]1CCCCO1)c1ccccc1N1CCCCC1 755820579 JLHOANNNSORBRE-QGZVFWFLSA-N 288.391 3.554 30 20 CHED CCSc1ccccc1C(C)=NOCC(F)F 758904309 USUYVKZHNUBBPH-UHFFFAOYSA-N 259.321 3.804 30 20 CHED C=CCCCOC(=O)c1csc(-c2ccc(C)n2C)n1 758580742 WCIKOJDVCGAELQ-UHFFFAOYSA-N 290.388 3.580 30 20 CHED Cc1ccc2c(C=NN3CCCC[C@H]3C)c[nH]c2c1 853379509 IBJGXQLBAJTQMX-CYBMUJFWSA-N 255.365 3.685 30 20 CHED C=C[C@@H](OC(=O)CC1CC(F)(F)C1)c1ccccc1 851451068 BTQPRKZHJBWACN-CYBMUJFWSA-N 266.287 3.892 30 20 CHED C#CCCCC(=O)OCc1csc(Cc2ccccc2)n1 759191849 NYZNHTFTLRINQI-UHFFFAOYSA-N 299.395 3.581 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCCc2ccccc21 851213555 RHHQFPJOYWNMPY-BBRMVZONSA-N 285.387 3.978 30 20 CHED Cc1c(C=NOCCC(F)(F)F)c2ccccc2n1C 853336292 UVWFOJAQQJVDNO-UHFFFAOYSA-N 284.281 3.790 30 20 CHED CCC(CC)CC(=O)OCc1cc(C#N)ccc1F 759418254 VQNDBGCYSJFNNT-UHFFFAOYSA-N 263.312 3.567 30 20 CHED CCOc1ccc(C/N=C/c2cccc(OCC)c2O)cc1 920386891 IEECRJSEGAOYKU-CPNJWEJPSA-N 299.370 3.809 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccc(C)o1 756828199 YQGMLGAMZOXHCN-UHFFFAOYSA-N 262.740 3.755 30 20 CHED CC[C@H]1CCCC1=NNc1cnnc2ccccc12 758368998 CXLZGAHGFZXCPF-NSHDSACASA-N 254.337 3.608 30 20 CHED C=CCC[C@@H](NC(=O)N[C@@H]1C=CCC1)c1ccccc1 852221034 MJPHLHAAKUUQBL-HZPDHXFCSA-N 270.376 3.712 30 20 CHED CCCC[C@@](C)(F)C(=O)[C@H](C#N)c1cnc2ccccc2n1 850986893 TWQHYYOEBUENGF-SJKOYZFVSA-N 299.349 3.724 30 20 CHED C#CCOc1ccccc1CNC(=O)C(CCC)CCC 753098990 WSJUJKTXZCGUSI-UHFFFAOYSA-N 287.403 3.531 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)CC(CC)CC 759170858 AJRHSNDZLWSVIG-UHFFFAOYSA-N 275.367 3.614 30 20 CHED N#Cc1ccc(CCNC2CCC(C(F)(F)F)CC2)cc1 850489825 XKQMTXRHEMDRLD-UHFFFAOYSA-N 296.336 3.811 30 20 CHED Cc1csc(C=NNc2ccc(C(F)(F)F)cc2)n1 755805416 UVSZYQMGUFDXGZ-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C=CCOC(=O)C(C)(C)Cc1cccc(Cl)c1 753803174 UCGNOXQCWHSAEK-UHFFFAOYSA-N 252.741 3.638 30 20 CHED N#Cc1ccc(NN=C2CCc3c(F)cc(F)cc32)cc1 752726490 HJJSUBZIMLEYRA-UHFFFAOYSA-N 283.281 3.599 30 20 CHED Cc1cc(C)cc(/C=C2/CCc3scnc3C2=O)c1 863196801 WBOAVNTZDGULGZ-JYRVWZFOSA-N 269.369 3.972 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc2c(c1)CCCC(=O)N2 764914975 JQPAZBHHBUABQN-UHFFFAOYSA-N 299.370 3.635 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1 767736853 NVEXKOHARYIRMV-NXZHAISVSA-N 292.334 3.926 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(SC)cc1 767641647 RZWLJTIZDVKITH-UHFFFAOYSA-N 262.374 3.501 30 20 CHED CCO[C@H]1CCCC1=NNc1cccc(F)c1Cl 863158780 QIVLYGJQGYYWLC-LBPRGKRZSA-N 270.735 3.836 30 20 CHED Cc1ccc(Br)c(NCC(C)(C)CCC#N)n1 865811169 XOYQAJISXUUOIV-UHFFFAOYSA-N 296.212 3.894 30 20 CHED C=CCOc1ccc(OC(=O)C(F)=C2CCCC2)cc1 763051846 IGSDFJDDQYIJHW-UHFFFAOYSA-N 276.307 3.954 30 20 CHED CCCCCCC[C@H](C)NC[C@H](O)c1ccc(C)o1 768518530 VCVRRUCEGSQDCC-ZFWWWQNUSA-N 267.413 3.960 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(Cl)s1 860195979 IBGLIIGPSOYIRB-UHFFFAOYSA-N 271.769 3.775 30 20 CHED Cc1cccc(C=NNCCc2ccccc2F)c1C 764720772 AXZIWMBPUNJKAL-UHFFFAOYSA-N 270.351 3.609 30 20 CHED C[C@H]1CCC[C@H](N2CCC(=NOCC(F)(F)F)CC2)C1 764846826 QXDYHJKKXDBKKJ-AAEUAGOBSA-N 292.345 3.596 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(CO)c(C)o1 864973371 WGGJBUXXLIJDGX-UHFFFAOYSA-N 295.423 3.903 30 20 CHED C#Cc1cccc(CNCc2nc3c(s2)C[C@H](C)CC3)c1 1117747886 LPTXELLZHLSMQO-CYBMUJFWSA-N 296.439 3.539 30 20 CHED Cc1ccc(-c2nc(C=NNCC(F)(F)F)cs2)cc1 769808435 PSVVOXPGMHCDEU-UHFFFAOYSA-N 299.321 3.604 30 20 CHED CCCCCCCOC(=O)c1csc(NCC)n1 768661903 WVABDTVTJNBMEC-UHFFFAOYSA-N 270.398 3.702 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)Cc1cnccn1 768515444 KZORBMWFHYIDAE-GJZGRUSLSA-N 263.429 3.746 30 20 CHED C#C[C@@H](C)N(C)Cn1c(-c2ccccc2)csc1=S 766666263 PEDWTVGCLISHFC-GFCCVEGCSA-N 288.441 3.857 30 20 CHED C#CCCCCCCNCc1cccc(NC(=O)CC)c1 876941141 IOMDZTBSYKUEAU-UHFFFAOYSA-N 286.419 3.708 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1nc(-c2ccncc2)cs1 872123721 ZKXQOSBLRQYQCH-QWHCGFSZSA-N 287.432 3.895 30 20 CHED CCCCCCCC(=O)Nc1cccc(OC)c1O 779065059 NDWIZGVKUHILQW-UHFFFAOYSA-N 265.353 3.700 30 20 CHED CC(Cc1ccccc1Cl)=NNc1oc(C)nc1C#N 1116128656 IGIQEVXUQPXEBO-UHFFFAOYSA-N 288.738 3.539 30 20 CHED C=C[C@](C)(CC)C(=O)N(CC)Cc1ccccc1F 1116736005 JFEWKOHLDULHMX-MRXNPFEDSA-N 263.356 3.777 30 20 CHED C#CCCCCCC(=O)N(CCCC)c1cccnc1 875882669 DAHCPDNAAYGNNN-UHFFFAOYSA-N 272.392 3.798 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)s1 776729108 PMPCLCWUNUQILY-WAYWQWQTSA-N 282.299 3.527 30 20 CHED O=C(/C=C/c1nc2c(s1)CCCC2)c1ccc(O)cc1 776263940 UWNRCMOHIBDAQZ-MDZDMXLPSA-N 285.368 3.624 30 20 CHED CC(C)N(C)c1cccc(NC(=O)c2csc(C#N)c2)c1 1117790800 JHLCCVLPKALYRI-UHFFFAOYSA-N 299.399 3.717 30 20 CHED C=Cn1cc(C=NNc2c(Cl)cccc2Cl)cn1 773068785 PTOBIMJTWSIBAO-UHFFFAOYSA-N 281.146 3.736 30 20 CHED Cc1cccc(/C=C2/CC(=O)Nc3ccccc3C2=O)c1C 774146712 WZAIXNCMEYPIDU-GDNBJRDFSA-N 291.350 3.912 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1cc2ccccc2[nH]1 775624070 XHUMXMDFDTZHDC-ZDUSSCGKSA-N 275.355 3.890 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(C)cnc1Cl 879390195 BJRBRQDPUZMBFY-LLVKDONJSA-N 266.772 3.518 30 20 CHED C=CCCC(=O)OCCc1cccc(OC(F)(F)F)c1 771352207 WMBMGGFGWKJCOA-UHFFFAOYSA-N 288.265 3.637 30 20 CHED C=CCN(CC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 771791691 QSCLZMRNOJLUFG-UHFFFAOYSA-N 275.436 3.668 30 20 CHED COCCCOc1cccc(C=NOC2CCCCC2)c1 777458303 BYRSZZVUEGKCOF-UHFFFAOYSA-N 291.391 3.785 30 20 CHED Cc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)c(C)c1 780188409 PWDFNRMHCFSTGG-NVNXTCNLSA-N 264.324 3.831 30 20 CHED C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N(CC)C(C)C 1121492857 PZXVNCBDNBHIKV-GFCCVEGCSA-N 298.381 3.602 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2F)C1 888373547 LCEOTAQLGPODQP-LBPRGKRZSA-N 287.338 3.517 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C=C1CCCCC1 786387032 AWYIMCPECSFQAG-QGZVFWFLSA-N 280.371 3.552 30 20 CHED CCc1cccc(Cl)c1/C=C\C(=O)c1cc(C)nn1C 789156526 OVUNTHAGLRPVDL-HJWRWDBZSA-N 288.778 3.840 30 20 CHED C=C(Cl)CN1C[C@H](C)C[C@H]1c1cccc(OC)c1 784351485 GWYDKCOMXNWCBU-ABAIWWIYSA-N 265.784 3.831 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C(C)C)[C@@H](O)c1ccccc1 788625868 JALIOMUGYAXMKT-ONIAQPFYSA-N 275.436 3.935 30 20 CHED CCC(=NNc1ncncc1Cl)c1ccc(C)cc1 780279783 JFCYPKMYVNBATM-UHFFFAOYSA-N 274.755 3.665 30 20 CHED C/C(C=NOC1CCCC1)=C\c1cccc([N+](=O)[O-])c1 787163115 SAOUIVXUMADFGH-VAKNNNDASA-N 274.320 3.943 30 20 CHED CCCCC[C@H](C)CC(=O)N1CCC[C@@](C)(C#N)C1 784747487 ROJKEZQLWAGPAY-HOCLYGCPSA-N 264.413 3.745 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](C)CC2CCCCC2)n1 1129269987 YZCQSLLFZSOJRI-LBPRGKRZSA-N 285.391 3.807 30 20 CHED CCCCCCCN[C@H](C)Cc1cccc(OC)n1 783525131 FZAXRERJLMNMAI-CQSZACIVSA-N 264.413 3.581 30 20 CHED C#CCCCCCC(=O)NCc1oc2ccccc2c1OC 789238360 DJTJECGUGALUDA-UHFFFAOYSA-N 299.370 3.641 30 20 CHED COc1cc(NN=C(C)c2scnc2C)ccc1Cl 788467085 BSOGABXKQKSCTM-UHFFFAOYSA-N 295.795 3.950 30 20 CHED C=CCCCCCN1C(=O)CS/C1=C/C(=O)C(C)(C)C 783008247 UZIRMXDZSALLFJ-RVDMUPIBSA-N 295.448 3.765 30 20 CHED Cc1c(Cl)cnc(NC23CCC(CC2)C3)c1C#N 784204429 JVKLICLOTXHVLD-UHFFFAOYSA-N 261.756 3.660 30 20 CHED CC1(C)C[C@@H](NN=Cc2cccc3ccccc23)CCO1 780253619 XCJRTLWTYINDOH-INIZCTEOSA-N 282.387 3.721 30 20 CHED C=CCC1(C(=O)Nc2cc(C#N)ccc2F)CCCC1 891453362 FMGSCOSKNCUGJE-UHFFFAOYSA-N 272.323 3.772 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc2cnccc2c1 894809035 RJKQMYANFHRSHY-LBPRGKRZSA-N 253.349 3.975 30 20 CHED C[C@H]1/C(=C/c2cnn(C3CCC3)c2)C(=O)c2ccccc21 899372376 CQASFYCSMFYKAZ-AXIYWZQUSA-N 278.355 3.992 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)Cc1ccccc1F 1137120289 BDMDVPQVHVBLLQ-UHFFFAOYSA-N 298.361 3.750 30 20 CHED C[C@@H]1C[C@H]1C=NNCc1cccc(Cl)c1Cl 790180175 BHIHDSMEEAPBOI-SCZZXKLOSA-N 257.164 3.725 30 20 CHED COc1cccc(CC(=NNc2ncccc2C)C2CC2)c1 790192688 ATRVDEXLMBJAFC-UHFFFAOYSA-N 295.386 3.819 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(CC#N)c1ccccn1 892465164 RSMMGLDMJVASGY-MRXNPFEDSA-N 299.418 3.935 30 20 CHED CC(C)(C)c1ccc(C=NOC[C@@H]2CCCO2)cc1 795197663 RYDNJESODMYPRA-HNNXBMFYSA-N 261.365 3.514 30 20 CHED Cc1cc(C)n(N=CC2CCC(C(C)C)CC2)c(=O)c1C#N 794887204 SSJNDGREFPMFHB-UHFFFAOYSA-N 299.418 3.633 30 20 CHED CCCC(Cc1ccccc1)=NNCCC(F)(F)F 794545297 KEOPDQYZGZWBEN-UHFFFAOYSA-N 272.314 3.927 30 20 CHED CC/C=C\CCOC(=O)C[C@@H](CC#N)c1ccccc1 795981204 MIPRXVFDFSKWNY-MJSXRHKHSA-N 271.360 3.973 30 20 CHED C=CCNN=C(C)c1csc(-c2csc(C)n2)c1 794993427 BNBLHQRXPKSPJN-UHFFFAOYSA-N 277.418 3.680 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(C(=O)N2CCCC2)cc1 798081762 WHDSJTCVLILRDM-HUUCEWRRSA-N 286.419 3.935 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H]2CCC2(C)C)c1 793539607 JDHGLUJKTXIDIA-ZBFHGGJFSA-N 272.392 3.646 30 20 CHED FC(F)(F)CCON=Cc1ccc(OCC2CC2)cc1 790176114 MWCUUYFSUDUMCJ-UHFFFAOYSA-N 287.281 3.778 30 20 CHED CC(Cc1ccccc1C(F)(F)F)=NNc1cnccn1 794854932 YAGCCLNVRRKFAT-UHFFFAOYSA-N 294.280 3.526 30 20 CHED COC(=O)c1csc(C(=O)/C=C\c2sccc2C)c1 794726760 XNNSLXKKUBTCPR-ARJAWSKDSA-N 292.381 3.801 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798783785 LYUFUDAAVVIYRH-BXKDBHETSA-N 285.265 3.654 30 20 CHED Cc1cc(C(=O)OC2(C#N)CCC2)c(C)cc1Cl 796752138 BHQONQKJGKMSBH-UHFFFAOYSA-N 263.724 3.560 30 20 CHED Cc1ccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1C#N 799305260 DARCZHJVLDGUHG-LRDDRELGSA-N 270.376 3.517 30 20 CHED Fc1cccnc1NN=CCSCc1ccccc1 794989967 HPVGBLVSBJGAAI-UHFFFAOYSA-N 275.352 3.552 30 20 CHED CC(C)N(C)c1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1F 799721849 YKJCUSKIPNIZMD-CHWSQXEVSA-N 275.371 3.774 30 20 CHED CCCCCCCC(=O)O[C@@H](C)c1cc(C)on1 798239152 VUTMWZRPXYFLRE-LBPRGKRZSA-N 253.342 3.948 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)[nH]c1C 1142234050 PKFQGUMBIIAICX-KGLIPLIRSA-N 287.407 3.531 30 20 CHED Cc1ccc(SCC(=O)c2ccc(C#N)cc2)s1 1307357677 ZPKFPJYEGRSDQT-UHFFFAOYSA-N 273.382 3.903 30 20 CHED CCCCCCCC(=O)Nc1ccc(F)cc1C#N 135153339 LVRYNSQPKYAOEE-UHFFFAOYSA-N 262.328 3.996 30 20 CHED CCCCCCCCNC(=O)c1[nH]c(C)cc1C 1319704214 VKIDWJRYKUPCKR-UHFFFAOYSA-N 250.386 3.722 30 20 CHED Cc1cccc(CNc2cccc(OCC#N)c2)c1C 43313960 SWHYUUCXZBLHQK-UHFFFAOYSA-N 266.344 3.818 30 20 CHED CCN(Cc1cc(Cl)cc(Cl)c1)C[C@H](C)C#N 91982931 DIKMQLYUSSFBQC-SNVBAGLBSA-N 271.191 3.975 30 20 CHED C=C(C)CNC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12 1320487249 RJRNJPGPASWPGE-UHFFFAOYSA-N 298.386 3.599 30 20 CHED Cc1cc(NC2(C)CC2)n2c(nc3ccccc32)c1C#N 1324662927 SAKAHBNOHGMZHL-UHFFFAOYSA-N 276.343 3.632 30 20 CHED CCc1cccnc1[C@H](C)Nc1ccc(OCC#N)cc1 1320789311 NOUPCMWGIJKUAQ-ZDUSSCGKSA-N 281.359 3.719 30 20 CHED CC(F)(F)C1(C(=O)Nc2ccc(C#N)cc2Cl)CC1 692813388 XBJNLPFNISXZFR-UHFFFAOYSA-N 284.693 3.586 30 20 CHED CC(C)(C)CN(CCC#N)c1cc(C(C)(C)C)ncn1 596171914 GHPYIUJQNUZYCQ-UHFFFAOYSA-N 274.412 3.540 30 20 CHED CCCCSCc1nnc(-c2ccc(C#N)cc2)o1 1257873009 WHFVSCSTBSQCMB-UHFFFAOYSA-N 273.361 3.642 30 20 CHED N#CCOc1ccc(NC/C=C/c2ccc(F)cc2)cc1 1254032743 AVNVTWZTDKPLHJ-OWOJBTEDSA-N 282.318 3.853 30 20 CHED C#CCC(C)(C)C(=O)NCC1(CC(C)C)CCCC1 767092803 YHVCSOIZGHYQSS-UHFFFAOYSA-N 263.425 3.759 30 20 CHED C[C@H](NN=C1CCOC2(CCCCC2)C1)c1ccncc1 1331974751 BDIVCZYZQVDOJN-AWEZNQCLSA-N 287.407 3.602 30 20 CHED C[C@H](COc1ccccc1)Nc1ccc(F)cc1C#N 699342702 KMVSSTNBJOTALM-GFCCVEGCSA-N 270.307 3.577 30 20 CHED C[C@@H](Cc1cccs1)N(C)c1cccc(F)c1C#N 93406700 UQKNZJRZFCAWRZ-NSHDSACASA-N 274.364 3.826 30 20 CHED C=C[C@H](C(=O)N(C)[C@@H]1CC[C@@H](SC)C1)c1ccccc1 1263751459 BIRBTKBCIYGRHC-OAGGEKHMSA-N 289.444 3.699 30 20 CHED CC(C)c1ccoc1C(=O)Nc1ccc(OCC#N)cc1 1345146792 MBUUZFZBPHSHNE-UHFFFAOYSA-N 284.315 3.558 30 20 CHED CCc1nc([C@H](C)Nc2cc(C#N)cc(Cl)n2)cs1 1347990116 KWAHMASUGJKFDM-QMMMGPOBSA-N 292.795 3.799 30 20 CHED C=C(CC)C(=O)NCc1ccc(Cl)c(Cl)c1 1347325641 MKTZNOMYQIHBNY-UHFFFAOYSA-N 258.148 3.576 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Cl)c(NC(C)=O)c1 1354050894 ABTXPJPOPACTGH-UHFFFAOYSA-N 280.755 3.593 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 1351349361 TTZLJGWDBAREJL-GWCFXTLKSA-N 276.767 3.976 30 20 CHED C=C(C)CCC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 1353727111 PAOHWQRRTVAMEO-CQSZACIVSA-N 283.375 3.787 30 20 CHED Cc1cc2cc(NC(=O)c3csc(C#N)c3)ccc2[nH]1 1441286036 IQOIZNXZFJOTOL-UHFFFAOYSA-N 281.340 3.662 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N(C)[C@@H](C)CC#N 1440153459 KWTPOKZCDQUQHB-HOCLYGCPSA-N 278.440 3.990 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 1445589006 YSPMUDXTKMQWAW-DYVFJYSZSA-N 296.345 3.581 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2ccsc2C#N)c1C 1456252383 ISODFUDUJIQZSV-GFCCVEGCSA-N 284.384 3.728 30 20 CHED CO[C@@H]1CCCC[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 1458474573 SHBQKBWYFKFDOH-ZIAGYGMSSA-N 287.407 3.620 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)CC2)cc1C#N 1529276550 NZIBPZGBXONEKP-LRDDRELGSA-N 270.376 3.565 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1 1465800446 OGKGMEJQOQSEQE-SMDDNHRTSA-N 289.354 3.788 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2ccsc2C#N)C1 1460940019 OBAAGLKRADDFHC-LLVKDONJSA-N 276.405 3.566 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)o1 1534571154 KJBGGKKPTHXLHO-UHFFFAOYSA-N 285.347 3.577 30 20 CHED Cc1cccc(CCNC(=O)Nc2cc(C)cc(C#N)c2)c1 1466837373 OYORUERRFKTLSA-UHFFFAOYSA-N 293.370 3.539 30 20 CHED O=C(O)CC1CC(=NNc2cccc(Cl)c2Cl)C1 1601942337 YDLLNCACRJQDDO-UHFFFAOYSA-N 287.146 3.646 30 20 CHED COC1(CNc2c(C#N)cccc2C#N)CCCCCC1 1613042670 YZDCTDQTZYZLHH-UHFFFAOYSA-N 283.375 3.581 30 20 CHED CCc1nc(C#N)cc(S[C@H]2CCOc3ccccc32)n1 1472726222 WPVBBZCGZWWWIF-AWEZNQCLSA-N 297.383 3.527 30 20 CHED Cc1cc(C)c(C(=O)Nc2nc(Cl)c(C#N)s2)s1 1544542971 QEXCJZXIAOGVNO-UHFFFAOYSA-N 297.792 3.599 30 20 CHED N#Cc1cc(F)ccc1CSCC(=O)c1ccccc1 1644048121 IHXLKWFNDOCGBB-UHFFFAOYSA-N 285.343 3.813 30 20 CHED C=C(Cl)CN[C@@H](CC)c1cc(F)ccc1OC 1644586373 JAGUECCFVHOFJW-LBPRGKRZSA-N 257.736 3.628 30 20 CHED N#Cc1c[nH]ccc1=NCC1CCC(c2ccccc2)CC1 1642244372 NHYQPIYQJCZWJJ-UHFFFAOYSA-N 291.398 3.761 30 20 CHED CCCN(C[C@H](C)CCC#N)[C@H]1C[C@@H](OCC)C1(C)C 1658251726 XIBZPGNMBQCDEJ-OWCLPIDISA-N 280.456 3.842 30 20 CHED CCCN(C[C@H](C)CCC#N)[C@H]1C[C@H](OCC)C1(C)C 1658251727 XIBZPGNMBQCDEJ-PMPSAXMXSA-N 280.456 3.842 30 20 CHED C=C[C@@H](C(=O)O)N1CC2(CCCCC2)[C@H]1c1ccccc1 1588664498 QRCDJRAKHRILFJ-JKSUJKDBSA-N 285.387 3.633 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1670664465 UGBGUKMKCVRGGW-JJAZEVLHSA-N 284.403 3.971 30 20 CHED CC[C@H]1CCCCCC1=NNc1ccc(C(=O)O)nc1 1776072167 LTHBYJBPPJBCII-NSHDSACASA-N 275.352 3.538 30 20 CHED C=CCC[C@@H](CC(C)C)C(=O)Nc1cccc(C(=O)O)c1 1776165910 GMBNPANCUFPGOD-ZDUSSCGKSA-N 289.375 3.952 30 20 CHED Cc1ccc(NN=Cc2c[nH]c3c(C(=O)O)cccc23)cc1 1776032749 PDORYXQISNDIAS-UHFFFAOYSA-N 293.326 3.621 30 20 CHED C#CCOC(=O)c1cc(SC)c(Cl)cc1Cl 162711188 XOPIFWWEHUJTCD-UHFFFAOYSA-N 275.156 3.505 30 20 CHED COc1cccc(CN(C)Cc2ccc(C#N)cc2C)c1 165450369 HVPWWDQTBDUGGF-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H](SCC)C1 151256983 LGIFSPKQVBOSIJ-HUUCEWRRSA-N 281.465 3.935 30 20 CHED C=CCCS[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 151990326 CDLMNVXYDPQOOP-VXGBXAGGSA-N 281.396 3.701 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(C)c1Br 155012618 NJGUARAREOGQJP-UHFFFAOYSA-N 294.192 3.572 30 20 CHED C=C(C)CNC(=O)N(C)Cc1ccc(C(C)C)cc1 156496659 KMXXNHZQQSKRAL-UHFFFAOYSA-N 260.381 3.528 30 20 CHED C=CCCCCCN(C)C(=O)C1(C#N)CCCCC1 156807804 DTTLBIYSRQRNAI-UHFFFAOYSA-N 262.397 3.665 30 20 CHED C#CCCCCC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 119648787 GSSZZWFGQILUGB-AWEZNQCLSA-N 275.367 3.929 30 20 CHED C=C(C)COCCNc1ccc(C(F)(F)F)cc1C#N 125666795 BEELOZVHIKCBJK-UHFFFAOYSA-N 284.281 3.582 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1cccc(C#N)c1 234272475 KOTOQXJCWFFPDC-UHFFFAOYSA-N 269.392 3.710 30 20 CHED CCc1nnc(SC2CCCCC2)c(C#N)c1CC 125993444 RMRSDMQEOISSHV-UHFFFAOYSA-N 275.421 3.898 30 20 CHED Cc1cc(F)ccc1CNc1cccc(OCC#N)c1 50575681 ZIKPGDUGTKZJGG-UHFFFAOYSA-N 270.307 3.649 30 20 CHED N#Cc1ccc(Cl)cc1NCc1cccc(C(=O)O)c1 62784948 DPQFZPXTAYKYTJ-UHFFFAOYSA-N 286.718 3.522 30 20 CHED N#Cc1cc(Cl)ccc1N1CCOc2ccccc2C1 63013070 XZPVIXIESFMBHA-UHFFFAOYSA-N 284.746 3.611 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)nc2)cc1Cl 301241821 MVAGLSLCLAIPRF-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=CCCC[C@@H](C)NCc1occc1Br 308881469 ULYOKCYCOWPIKM-SNVBAGLBSA-N 272.186 3.877 30 20 CHED CSC1(CNc2ccc(C#N)c(C)n2)CCCCC1 311676004 ZHSFUKRATHTPFZ-UHFFFAOYSA-N 275.421 3.740 30 20 CHED C=CCCCCN[C@H](C)CCc1ccc(OC)cc1 311644828 SEGNXSFPKUOFHT-OAHLLOKOSA-N 261.409 3.962 30 20 CHED CCn1nc(C)c(CNc2cccc(Cl)c2C#N)c1C 514993061 ODLCUDYRXABDSE-UHFFFAOYSA-N 288.782 3.657 30 20 CHED C[C@@H](CC(=O)N1CCc2cc(C#N)ccc21)C(C)(C)C 416012768 MCFHGUGAFKDWCX-LBPRGKRZSA-N 270.376 3.520 30 20 CHED CCO[C@@H]1C[C@H](Nc2cccc(C#N)c2)C12CCCC2 85677940 WPXXXIGECKXHRH-JKSUJKDBSA-N 270.376 3.708 30 20 CHED C=CCC1(NCc2cn3cc(C)ccc3n2)CCCC1 657701698 BDTXYBHUFHJPOQ-UHFFFAOYSA-N 269.392 3.621 30 20 CHED Cc1c(Cl)cc(NCCO[C@@H](C)C#N)cc1Cl 690263142 XJAXKBNKEGKOKR-QMMMGPOBSA-N 273.163 3.642 30 20 CHED C=CCSCCNc1ccc(C(F)F)cc1[N+](=O)[O-] 388954131 ZBWDCKARGLURNL-UHFFFAOYSA-N 288.319 3.864 30 20 CHED Cc1cccc([C@H](C)NCc2ccc(CC#N)cc2)c1 399105914 XURAKYNMWBYTME-HNNXBMFYSA-N 264.372 3.912 30 20 CHED N#Cc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 19906735 UYVJMEFKCPEPLC-UHFFFAOYSA-N 290.288 3.867 30 20 CHED CSc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 31435825 DSMGGJRUQLJPPK-LBPRGKRZSA-N 296.395 3.771 30 20 CHED CC[C@@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 36913357 SGFKJTFVIOLJTL-CYBMUJFWSA-N 265.360 3.733 30 20 CHED Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1C 45027090 FBEYKPUPAAMQOC-UHFFFAOYSA-N 265.316 3.819 30 20 CHED CCCN(CC#N)Cc1c(Cl)cccc1Cl 45092545 RGBYYIJYWIQOKI-UHFFFAOYSA-N 257.164 3.729 30 20 CHED N#C[C@H](C(=O)c1ccccc1)c1ccc2ccccc2n1 47376085 UBTZZSDSRZOAAV-HNNXBMFYSA-N 272.307 3.725 30 20 CHED CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 48463144 UBRSIAOARUUHPP-QGZVFWFLSA-N 278.355 3.885 30 20 CHED N#Cc1ccc(NC(=O)NC(C2CC2)C2CC2)cc1Cl 48474365 SYUQGAHLKXYJPC-UHFFFAOYSA-N 289.766 3.522 30 20 CHED N#Cc1cnc2ccccc2c1NC(C1CC1)C1CC1 49235850 FCGFCSGBJNQBNB-UHFFFAOYSA-N 263.344 3.707 30 20 CHED CC[C@H](Nc1ncc([N+](=O)[O-])cc1C#N)C1CCCCC1 52341124 HQQZGPAUUPUYPQ-AWEZNQCLSA-N 288.351 3.632 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)Cc1coc2cc(C)c(C)cc12 58384022 BNLIEPPPJWVYIW-LBPRGKRZSA-N 298.386 3.600 30 20 CHED CC[C@@H](C(=O)N(C)c1cccc(C#N)c1)c1ccccc1 59095621 HDQIJCAPKGDLGC-QGZVFWFLSA-N 278.355 3.715 30 20 CHED CCc1ccsc1C(=O)[C@H](C#N)c1nc2ccccc2o1 66516515 AAKYULURHOWNOY-NSHDSACASA-N 296.351 3.942 30 20 CHED CSc1cccc(NC(=O)Nc2cccc(C#N)c2)c1 79796268 CAWKWIJKLFDSHL-UHFFFAOYSA-N 283.356 3.924 30 20 CHED C=CCCC(=O)Nc1cccc(CC(F)(F)F)c1 81258274 NGDIORLXFVWDAW-UHFFFAOYSA-N 257.255 3.696 30 20 CHED C=CC[C@H](C)NC(=O)c1c(Cl)cccc1Cl 81756906 HKEDFARKJOPHSE-QMMMGPOBSA-N 258.148 3.688 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc2ccc(Cl)cc2n1 84074109 PSAKTZXNMOMQIO-UHFFFAOYSA-N 288.778 3.926 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)[C@@H](C)c1ccccc1 84140003 JXRFHKQJLNKYAE-NEPJUHHUSA-N 284.384 3.542 30 20 CHED C=CCCCC(=O)Nc1c(F)cccc1Br 84245202 UYRRRWAJADTMEP-UHFFFAOYSA-N 286.144 3.883 30 20 CHED CCN(CCCSCc1ccccc1)C[C@@H](C)C#N 90523023 YJMHTNXGGCXLOR-HNNXBMFYSA-N 276.449 3.791 30 20 CHED CCN(CC#N)Cc1ccc(-c2ccc(F)cc2C)o1 92398910 FCLNCTYFBCIVBL-UHFFFAOYSA-N 272.323 3.740 30 20 CHED N#Cc1csc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 93335724 MZFSDRBPRDQPFT-CQSZACIVSA-N 286.375 3.748 30 20 CHED COc1ccccc1[C@@H]1CCN(CC(C)(C)CCC#N)C1 93594020 FEUXGCJUZKBOSN-OAHLLOKOSA-N 286.419 3.814 30 20 CHED CCc1ccc([C@H](C)C(=O)N(CCC#N)CC2CC2)cc1 103437492 DBKUJZWICOKBTH-AWEZNQCLSA-N 284.403 3.505 30 20 CHED CCCCCCCC(=O)NCCOc1ccccc1C 105351686 FAGDOTSCCCPDGA-UHFFFAOYSA-N 277.408 3.851 30 20 CHED CCCCS[C@@H](C)C(=O)NC(C#N)(CCC)CCC 106421499 YKDTZRKGCUIVND-ZDUSSCGKSA-N 284.469 3.887 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C/c3cccc(O)c3)c2c1 114992485 LHMNUMZENBSEQS-VMPITWQZSA-N 293.322 3.778 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(Cl)ccc2F)C1 116807992 HTRPVMGPTIWXEJ-MEBBXXQBSA-N 294.757 3.681 30 20 CHED C=CC[C@H](C)NC(=O)N(C)CCCCc1ccccc1 116974424 CIEOLYNCTIGBFH-HNNXBMFYSA-N 274.408 3.615 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc2ccc(C)nc12 117006660 QRPMYMJHYUJFHN-LLVKDONJSA-N 269.348 3.629 30 20 CHED COc1ccc(/C=C/C(=O)c2ccco2)cc1Cl 118983212 JWEHNGPPKHOMQR-GQCTYLIASA-N 262.692 3.838 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCCc2sccc21 119178384 XQNOEFXECIQTKB-ZDUSSCGKSA-N 263.406 3.593 30 20 CHED CC(C)c1cc(C(=O)N(C)CCC#N)c(O)c(C(C)C)c1 120412526 MTEIFLKUPVGBJF-UHFFFAOYSA-N 288.391 3.625 30 20 CHED C=CCC[C@H](NCC(=O)Nc1ccc(Cl)cc1)C1CC1 120604775 LNSLAIJDHXDTCU-HNNXBMFYSA-N 292.810 3.613 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc2ccccc2c1 120662040 AJPNGDPMQSKJGM-QGZVFWFLSA-N 266.344 3.508 30 20 CHED C=CCCOCCNCc1ccc(Cl)c(Cl)c1 120833420 ZBGNFAZIUGJRTD-UHFFFAOYSA-N 274.191 3.676 30 20 CHED C=C[C@@H](CC(=O)N1CCCC[C@@H]1C)c1ccccc1 122375599 VLIKIUHHUVBDSE-GJZGRUSLSA-N 257.377 3.747 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(N(C)C)cc1 126252742 DHCYJEBVUVQSIJ-GFCCVEGCSA-N 283.350 3.936 30 20 CHED CCN(CCC#N)Cc1c(C)cc(Cl)cc1C 127592650 FHLAPKLDLFGPFC-UHFFFAOYSA-N 250.773 3.692 30 20 CHED C=CCCSc1nnc(-c2ccccc2OC)n1CC 128649964 DPUOVHOVRLDUMX-UHFFFAOYSA-N 289.404 3.642 30 20 CHED C=C(C)COc1cccc(NCc2cnc3ccccn23)c1 129280897 YVJFELYRTMIGQW-UHFFFAOYSA-N 293.370 3.901 30 20 CHED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCC(C)(C)C#N 131651864 CCLYSGISJZDVAS-UKRRQHHQSA-N 274.383 3.943 30 20 CHED C[C@H](CC1CC1)NC(=O)N[C@H](CCC#N)c1ccccc1 132870220 MJEXKCBYAUMYAE-CZUORRHYSA-N 285.391 3.519 30 20 CHED CCN(CCC#N)C(=O)[C@H](CC1CCCC1)C(C)C 133369690 ANIAZWSDHRWZRW-OAHLLOKOSA-N 264.413 3.601 30 20 CHED C[C@@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C1 151308934 OCWDFCUJKPQZDE-INMHGKMJSA-N 299.418 3.861 30 20 CHED C=CCN(C)C(=O)Nc1cccc(Cl)c1OC(C)C 157444997 VABDIPXHOUPBIJ-UHFFFAOYSA-N 282.771 3.777 30 20 CHED Cc1c(Cl)cc(NC(=O)N[C@@H](C)CC#N)cc1Cl 158656504 ZCYRVPMCCAFOJF-ZETCQYMHSA-N 286.162 3.726 30 20 CHED N#Cc1c(Br)cccc1NCCC(F)(F)F 164994199 PJFCZMPSZDZKFD-UHFFFAOYSA-N 293.086 3.685 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H](C)C(C)C 172018988 WUBZSLYQZHEWIH-RISCZKNCSA-N 296.370 3.660 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2ccc(F)cc2C#N)C1 174339827 WSXKAMIKVNGROF-JKSUJKDBSA-N 292.423 3.803 30 20 CHED C#C[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 174409107 WYXZUQOIUGSVTB-JCURWCKSSA-N 264.324 3.508 30 20 CHED Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)cc1 177888610 PUGGUKQTNDZTGP-KRWDZBQOSA-N 293.370 3.562 30 20 CHED Cc1c(C#N)cccc1NC(=O)CSCCC(C)C 178639634 VEWPJFYCBTUCCW-UHFFFAOYSA-N 276.405 3.585 30 20 CHED N#CCCCCN[C@H]1CCc2c(Br)cccc21 179211229 BJQSZMDCPDNGIA-AWEZNQCLSA-N 293.208 3.720 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc(-c3ccccc3F)o2)C1 179908465 JSMANLUKNBAYGA-NWDGAFQWSA-N 299.301 3.935 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(-c2ccccc2F)o1 180416799 YYYXCXXMHROEPY-UHFFFAOYSA-N 273.307 3.734 30 20 CHED C=CC1CCN(C(=O)Nc2nc(CCC)cs2)CC1 180654033 JAROWPBFIGSYIG-UHFFFAOYSA-N 279.409 3.526 30 20 CHED C=CCCCN[C@H](C[C@H]1CCOC1)c1ccccc1 181214698 UUEUHJAOXSOCDD-NVXWUHKLSA-N 259.393 3.710 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2c3c(cccc13)CC2 181535165 SGPXEBYLFXRPRD-UHFFFAOYSA-N 280.371 3.978 30 20 CHED CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 181551814 RTVIHBDBRUQWDL-KDOFPFPSSA-N 280.371 3.597 30 20 CHED C=CC1CCN(Cc2ncc(Cl)cc2Cl)CC1 182266031 FSOVGWJKLVNDES-UHFFFAOYSA-N 271.191 3.786 30 20 CHED C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(C#N)c1 183261419 CWISCLWLVAJZPC-RUGDWHBFSA-N 296.414 3.557 30 20 CHED CC[C@H](CC#N)NCc1c(C)cc(Cl)cc1C 184095483 AGYGIXRMAUCPKB-CYBMUJFWSA-N 250.773 3.739 30 20 CHED COc1ccc(F)cc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 185783969 FIWLADCLMTYART-SGMGOOAPSA-N 276.355 3.567 30 20 CHED C=CCC[C@H](CCC)NCCc1nn(C)c2ccccc12 186482737 LMSLTTZXBCQAHC-HNNXBMFYSA-N 285.435 3.840 30 20 CHED COc1cc(NCc2ccc(Cl)cc2C#N)ccc1F 187610020 RFTZALIWAJWFHB-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C(C)[C@@H](NCCc1cccnc1)c1ccc(F)c(F)c1 187768022 XTEZOEVIFDKAPQ-QGZVFWFLSA-N 288.341 3.809 30 20 CHED C=C(C)CSCc1nc(-c2ccccc2F)no1 187850291 PROSNVSKAMVSCI-UHFFFAOYSA-N 264.325 3.685 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ncc(Br)cc1C 188017627 FKDGLPGFYHHZTA-CYBMUJFWSA-N 297.196 3.693 30 20 CHED C=CCC1(C(=O)NCc2ccc(COCC)cc2)CCC1 188322667 MINQFBAYFZRPSU-UHFFFAOYSA-N 287.403 3.586 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(CC(C)(C)C)nn1C 188355483 AOEJFXMIUZFEII-MRXNPFEDSA-N 277.412 3.550 30 20 CHED C=CCC1(C(=O)N(C)[C@H]2CC[C@H](SCC)C2)CCC1 188460734 AQBDFCAODPZKOF-KBPBESRZSA-N 281.465 3.865 30 20 CHED Cc1cc(NCc2cc(C#N)n(C)c2)ccc1OC(C)C 191440889 SLJWEETURRQIGX-UHFFFAOYSA-N 283.375 3.605 30 20 CHED C#CCCCC(=O)N1CCC(c2ccccc2C)CC1 192115441 LSVOBPQMQQHJCX-UHFFFAOYSA-N 269.388 3.505 30 20 CHED N#CCCCOc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 193083216 RFNAGJVVEIFJFW-CABCVRRESA-N 283.375 3.863 30 20 CHED CSc1ccccc1C(=O)/C=C/c1cncs1 194595352 QGUXQOOCOURLMR-VOTSOKGWSA-N 261.371 3.761 30 20 CHED COc1cc(O[C@@H](C)c2cccc(C#N)c2)ccc1C#N 194734140 QSDNTJXGKVPRRN-LBPRGKRZSA-N 278.311 3.579 30 20 CHED O=C1/C(=C\c2cccc(O)c2)Oc2ccc(Cl)cc21 207299108 CALHKJQZBSNHRA-VGOFMYFVSA-N 272.687 3.662 30 20 CHED COc1ccccc1C(C)(C)NCc1ccc(C#N)cc1 237105011 SCWZQSHFYIQEPD-UHFFFAOYSA-N 280.371 3.592 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1 245907401 CQOTXLZJEULIIU-HYVNUMGLSA-N 299.418 3.909 30 20 CHED CC[C@H](C)C[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 246138375 KDOUJUUMFDTCKL-RRFJBIMHSA-N 274.408 3.892 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)CCc1cccc(F)c1 248396425 ZYPLQVGQCMUFQH-UONOGXRCSA-N 262.372 3.628 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCSc3ccccc32)C1 248835547 NACJMVGYJKKVHQ-VNHYZAJKSA-N 272.417 3.895 30 20 CHED N#Cc1ccccc1/C=C\C(=O)c1ccc(F)c(F)c1 254964894 XGFWLUCAMATEQK-VURMDHGXSA-N 269.250 3.733 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2cccc(C)c2C)o1 255050638 HOIDMZBIBNEMOY-CLFYSBASSA-N 284.311 3.579 30 20 CHED CCC[C@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 255398878 ZWVLGOIQDJKNST-WOLCWHLNSA-N 282.387 3.610 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3ccccn23)cc1C 255569453 XFXNNPVLCAUSPU-HJWRWDBZSA-N 276.339 3.847 30 20 CHED Cc1ncsc1/C=C\C(=O)c1cccc(OC(F)F)c1 255838993 SJLJDDNEPMPOCR-WAYWQWQTSA-N 295.310 3.949 30 20 CHED Cc1ccc(N/C(N)=N\[C@H]2c3ccccc3O[C@@H]2C)cc1C 262334269 YXPLOISTKMIWNR-CXAGYDPISA-N 295.386 3.552 30 20 CHED COc1cc(C)ccc1CN[C@H](C)c1ccc(C#N)c(F)c1 271921791 FAFIWKPRMOIQNV-CYBMUJFWSA-N 298.361 3.865 30 20 CHED Cc1cc(N2CCC(C#N)CC2)c2ccc(F)c(F)c2n1 277027454 XKZZDJAWCTXSPH-UHFFFAOYSA-N 287.313 3.561 30 20 CHED COC(=O)[C@H](Cc1ccc(C)cc1)S[C@H](C)CCC#N 279858068 FMNOYCBVGMVBKE-HIFRSBDPSA-N 291.416 3.505 30 20 CHED N#Cc1cccc(CN[C@H]2C[C@H](c3ccccc3)C2)c1 280647216 NVPOCNHTEVHOEW-IYARVYRRSA-N 262.356 3.594 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1(C)C 281714734 WVWQFTXFDTUMOX-AWEZNQCLSA-N 298.430 3.996 30 20 CHED C=CCCCCCCNC(=O)c1c(C)nn(CC)c1Cl 287215189 VPJQFLLMANLVCK-UHFFFAOYSA-N 297.830 3.731 30 20 CHED C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCCCCC#N)C1 287380193 LHVBXTBVXFAUMO-WBVHZDCISA-N 299.418 3.863 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@H]2CCCC[C@H]2C)no1 289261035 YKEHSMUKTYARRQ-SKDRFNHKSA-N 271.320 3.803 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1c(Cl)cccc1Cl 291352010 AEEPRRLMRKFUED-JTQLQIEISA-N 285.174 3.661 30 20 CHED C=CCCCC(=O)N1CCc2cc(OC)c(Cl)cc2C1 294498803 JSZDYNFXIFXDRQ-UHFFFAOYSA-N 293.794 3.590 30 20 CHED CC/C(C)=C/C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 294520264 LMUUGRVTJHSTQP-CMPYXILNSA-N 270.376 3.824 30 20 CHED CCC[C@@H](Cc1ccccc1)Nc1ccc(C#N)cn1 301162784 PVZCXODHWRWEGS-INIZCTEOSA-N 265.360 3.777 30 20 CHED N#Cc1nc(NCCSc2ccccc2)ccc1Cl 301213381 WHBVEXRNACBNLF-UHFFFAOYSA-N 289.791 3.811 30 20 CHED N#Cc1ccc(NCC2(O)CCCCC2)c(C(F)(F)F)c1 301984927 LFONLMFLWPZJAQ-UHFFFAOYSA-N 298.308 3.684 30 20 CHED Cc1ccccc1OCCOc1ccc(C#N)cc1Cl 302688482 NZOJUSBNJIQQDR-UHFFFAOYSA-N 287.746 3.978 30 20 CHED N#Cc1sc(Nc2ccc(F)cc2)nc1Cl 309395221 IHCRDXCMOYFRFD-UHFFFAOYSA-N 253.689 3.551 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@H](F)C2)c(Br)c1 309546187 DKXNDUVPDUHHME-UWVGGRQHSA-N 283.144 3.623 30 20 CHED OC(=Nc1cccc2nc[nH]c12)[C@H]1CC12CCCC2 330000948 XIPYNXAFANAWOW-SNVBAGLBSA-N 255.321 3.731 30 20 CHED Cc1ncc(N=C(O)c2csc(CC(C)C)n2)s1 330395102 DTXWENCNQCMQCG-UHFFFAOYSA-N 281.406 3.743 30 20 CHED Cc1csc(NC(=O)c2cccc(F)c2Cl)c1C#N 335327832 DACLWLWEWIOKJL-UHFFFAOYSA-N 294.738 3.973 30 20 CHED N#Cc1cc(Br)ccc1CSc1ncco1 335555746 PIKVPNOOSMFFJK-UHFFFAOYSA-N 295.161 3.601 30 20 CHED Cc1ccc(C(=O)Nc2sccc2C#N)c(F)c1Cl 336250660 CWTOMPMYUYUWDK-UHFFFAOYSA-N 294.738 3.973 30 20 CHED CC(=O)Nc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1Cl 336251986 WJOBMXOHMXKMBO-RYUDHWBXSA-N 291.782 3.793 30 20 CHED N#Cc1cccnc1/C=C/c1ncc(C(F)(F)F)s1 336324086 VQJIYPTWYIDWKG-ONEGZZNKSA-N 281.262 3.599 30 20 CHED C[C@@H]1C[C@@H](C)N1C(=O)Nc1ccc(C(C)(C)C#N)cc1 336523570 BDDHJIYIGOAQAK-VXGBXAGGSA-N 271.364 3.502 30 20 CHED Cc1nc(Oc2cnc3ccccc3c2)ccc1C#N 336844178 YQBZGFUPXIXHHH-UHFFFAOYSA-N 261.284 3.602 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(C2CC2)no1)c1ccccc1 337726210 BXOUKLKHROJATA-OAHLLOKOSA-N 296.370 3.989 30 20 CHED CO[C@H](CN(CCC#N)CC1CC1)c1ccc(Cl)cc1 338303293 DVDSGXANCRUPFG-MRXNPFEDSA-N 292.810 3.653 30 20 CHED CC(=O)Nc1cccc(CNc2cccc(Cl)c2C#N)c1 339002434 VFSDGPXGQRTBDS-UHFFFAOYSA-N 299.761 3.782 30 20 CHED CC[C@@H](c1ccccc1)[S@@](=O)Cc1ccccc1C#N 339151204 AUFPKXZEHVHVPE-PXNSSMCTSA-N 283.396 3.958 30 20 CHED C[C@@]1(CNCc2cccc(C#N)c2)C[C@H]1c1ccccc1 339443842 AXFWPZVTSNDWRA-OALUTQOASA-N 276.383 3.842 30 20 CHED C=C(CNc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 340969590 NGEXQOXKNLZIER-UHFFFAOYSA-N 279.299 3.592 30 20 CHED C=CCCCSCc1cc(C(=O)OC)c(C)o1 344559405 KQZAEYBGIONFLB-UHFFFAOYSA-N 254.351 3.574 30 20 CHED C[C@H]1CCN(Cc2ccc(Br)cc2C#N)[C@H]1C 347048282 HTOBRBCTBFIXLX-QWRGUYRKSA-N 293.208 3.551 30 20 CHED CN(C(=O)Nc1cccc(C#Cc2ccccc2)c1)C1CC1 347433851 QPQZTJBYOXZQLV-UHFFFAOYSA-N 290.366 3.713 30 20 CHED Cc1cc(Br)ccc1CN[C@@H]1CC[C@H](C#N)C1 349820306 FMCNYFVYSGFACK-SMDDNHRTSA-N 293.208 3.539 30 20 CHED C=CCCCCNC(=O)Nc1ccc2nc(C)oc2c1 352350530 NWGDCUNDKUQIET-UHFFFAOYSA-N 273.336 3.614 30 20 CHED C=CCC[C@H](NC(=O)C[C@@H]1C[C@@H]1C)c1ccccc1 355186860 WZTJELNKRMCPFZ-BPUTZDHNSA-N 257.377 3.856 30 20 CHED Cc1ccc([C@H]2CCN(Cc3cc(C#N)n(C)c3)C2)c(C)c1 355313451 LIJZDFKDMJCHMG-KRWDZBQOSA-N 293.414 3.503 30 20 CHED CC[C@@H](C)CN(CC)C(=O)C[C@@H](CC#N)c1ccccc1 356276687 ZGLLXNHPWJUREQ-NVXWUHKLSA-N 286.419 3.969 30 20 CHED C=CCCC1(C(=O)N[C@@H]2COc3ccc(Cl)cc32)CC1 356432983 OFQYASLMKYYFGI-CYBMUJFWSA-N 291.778 3.636 30 20 CHED C=CCCC1(C(=O)Nc2cc(C)c3c[nH]nc3c2)CC1 356634925 NDGXXGVCXWUFBK-UHFFFAOYSA-N 269.348 3.556 30 20 CHED COc1ccc2c(c1)C1(CC1)CN(c1ccc(C#N)cc1)C2 357609622 QJNSBFYCDZSAGE-UHFFFAOYSA-N 290.366 3.619 30 20 CHED CC(C)Cn1ccc2c(C(=O)NCC(C)(C)C#N)cccc21 360258716 WVIRGMZVGVXUJR-UHFFFAOYSA-N 297.402 3.577 30 20 CHED CCC(CC)(OC)c1noc([C@H](C)c2cccc(C#N)c2)n1 361271566 KKISBAPTUMLRFZ-GFCCVEGCSA-N 299.374 3.755 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 361859908 IHDQDHBVKOHJJE-SUMWQHHRSA-N 287.407 3.735 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](n2cccn2)C1 367881993 XBVMLBIJLFRHLB-INIZCTEOSA-N 291.439 3.797 30 20 CHED C[C@@H](NCCCCC(C)(C)C#N)[C@H]1COc2ccccc21 370498686 IEMYFOPHJSFTPW-GDBMZVCRSA-N 286.419 3.861 30 20 CHED C=CCCCCN[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 380946410 OZQKADSLIHQRSX-AEFFLSMTSA-N 272.436 3.595 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)[C@H]2CCC[C@@H]21 394462631 WEPFBHMTCQNSOV-GJZGRUSLSA-N 272.367 3.708 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)CCc1ccccc1F 410826222 HTRCWZVIXUZZFT-DZGCQCFKSA-N 290.382 3.545 30 20 CHED CCCC(C)(C)CC(=O)Nc1cnc(C#N)c(Cl)c1 411036563 XHEAPYXONZSLID-UHFFFAOYSA-N 279.771 3.762 30 20 CHED CC(C)(C)[C@H](NC(=O)CSCCC#N)c1cccs1 413012667 MOVAHWQZHXOKJM-CYBMUJFWSA-N 296.461 3.598 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1csc(CC)n1 414530303 DQEGMCVPYVGPJG-HNNXBMFYSA-N 286.444 3.983 30 20 CHED CC(C)(C)[C@H](Nc1cncc(C#N)n1)c1ccc(F)cc1 420606924 YZBHXIFDEQRYQQ-OAHLLOKOSA-N 284.338 3.687 30 20 CHED N#CCCNCc1ccc(Oc2cccc(F)c2)cc1 425972303 XSEMKEQMOOAVST-UHFFFAOYSA-N 270.307 3.621 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)CCc1ccccc1 429924153 LPBRZVLYBIQDKH-CQSZACIVSA-N 259.393 3.726 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc(CC)s1 432089601 JZZAFGMCVZMKKR-UHFFFAOYSA-N 280.437 3.712 30 20 CHED CC(=O)c1sccc1OCc1ccc(CC#N)cc1 432495468 RQXXNBAHZAXJNV-UHFFFAOYSA-N 271.341 3.596 30 20 CHED CCN(Cc1ccc(C(F)(F)F)s1)C[C@H](C)C#N 432744222 FYOKXDOUKXAXBW-SECBINFHSA-N 276.327 3.748 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1cccc(C(F)F)c1 432844727 FWPQIOILHQKGDR-UHFFFAOYSA-N 281.306 3.638 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CCC(C(F)(F)F)CC1 436304360 DIWNRBIDYIBTAH-RYSNWHEDSA-N 291.357 3.678 30 20 CHED CC[C@@H]1CN(Cc2cc(C#N)ccc2F)c2ccccc2O1 441333922 UFSJERQYHLSJFU-OAHLLOKOSA-N 296.345 3.875 30 20 CHED COc1cc(CN2CCC[C@H]2c2ccsc2)ccc1C#N 442808823 IOQPMHKTRKFASG-INIZCTEOSA-N 298.411 3.965 30 20 CHED C=CCC(CC=C)c1nc(C2CCSCC2)no1 445535297 AWNRMQBUOQWERA-UHFFFAOYSA-N 264.394 3.916 30 20 CHED Cc1ccc(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1C 447914841 QARGLXHSKTVKLS-RTBURBONSA-N 298.430 3.731 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)c1cccc2ccccc12 448820103 ASXTUISYNYPLIK-AEFFLSMTSA-N 295.382 3.784 30 20 CHED CCC(=O)Nc1ccc(NC2CCC(C)(C#N)CC2)cc1 449047916 SMSGOMLIVQCJGJ-UHFFFAOYSA-N 285.391 3.919 30 20 CHED C=CCC1(C(=O)NCc2ccc(C)s2)CCCC1 449733323 HKRMBKBTVKJVQH-UHFFFAOYSA-N 263.406 3.809 30 20 CHED C=C[C@@H]1OCCC[C@H]1Nc1nccc2ccc(F)cc12 450803521 KRNHPZJQEHVMNN-CABCVRRESA-N 272.323 3.519 30 20 CHED N#CCCCN1CC[C@@H](c2cccc(Br)c2)C1 451573864 VAWQYEYESWOAPL-CYBMUJFWSA-N 293.208 3.542 30 20 CHED Cc1cccc(CNc2cc(C#N)ccc2OC(C)C)n1 453087581 MNHDIVOSTNLQLZ-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1C[C@H]1C(C)C)c1ccccc1 456293245 GGVIIGMVXUJVNM-BBWFWOEESA-N 271.404 3.755 30 20 CHED C=CCC1(CNC(=O)[C@@H]2CCO[C@@H](CCC)C2)CCCC1 456488465 QVYCITHJIZJFJE-CVEARBPZSA-N 293.451 3.834 30 20 CHED C=CCOc1ccc(CNC2CC3(CCC3)C2)cc1 459540770 HGNPCGIADMCPMS-UHFFFAOYSA-N 257.377 3.674 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(CC#N)c1ccccc1 460051197 BLZMDPGZYPYSJE-ZBFHGGJFSA-N 270.376 3.760 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(C)cc(C)c1Br 461669726 PVCLAQQCQCNOEM-LLVKDONJSA-N 296.208 3.760 30 20 CHED CC#CCCN(CC)Cc1cccc(Br)c1 462314108 NXDNAHSDTCMWNB-UHFFFAOYSA-N 280.209 3.684 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H]1CCCCC12CCCC2 462970003 RCKYCTDGFHWISE-CABCVRRESA-N 279.424 3.587 30 20 CHED CC#CCCCC(=O)Nc1ccnn1[C@@H](C)CC(C)C 464562832 AHCHVDUSUXYLGA-AWEZNQCLSA-N 275.396 3.622 30 20 CHED Cc1cccc(C2(C(=O)N[C@@H](C#N)C(C)(C)C)CCCC2)c1 464706506 DYWUKJLHNZXTMV-INIZCTEOSA-N 298.430 3.861 30 20 CHED C=C[C@H](C)NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 465122116 RRRMWEIOPYKDBR-AWEZNQCLSA-N 289.419 3.690 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(OC)ccc1OCCCC 465173206 ZCGAWGPZGWDALC-LBPRGKRZSA-N 292.379 3.570 30 20 CHED C=CC[C@H](CC)NCc1nc2ccc(Cl)cc2n1C 466403137 DSJBTRPSDWVCNG-LBPRGKRZSA-N 277.799 3.671 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C 466673159 RALSVYCWFSYZEL-RHSMWYFYSA-N 296.455 3.578 30 20 CHED C=CCCN(C)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 466963824 GXYLDHUSVMFSSL-NEPJUHHUSA-N 292.345 3.573 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2nc(N(C)C)ccc2c1 468116340 FCYAHXSNDUDNSI-GOSISDBHSA-N 297.402 3.842 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2C[C@H](C)O[C@H](C)C2)CCCC1(C)C 470283456 DLYQLCGTZFFXJU-FZKCQIBNSA-N 293.451 3.783 30 20 CHED C=CCC[C@@H](O)CN(C)CCc1cccc2ccccc12 472665465 JTVGBQIQXNLANZ-GOSISDBHSA-N 283.415 3.641 30 20 CHED CCN(CC)C[C@H](C)Nc1cc(C#N)ccc1C(F)(F)F 475359211 CBYWNJIBUJCMEA-NSHDSACASA-N 299.340 3.719 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1 477007499 CFZZJHBMXWYNOD-HNNXBMFYSA-N 291.435 3.731 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(C#N)s1 487038926 MBBULPGXQFYDHD-VXGBXAGGSA-N 276.405 3.566 30 20 CHED CCOC(=O)c1cccc(Sc2ccc(C#N)c(C)n2)c1 487722683 RKMIDYMXUQXNSM-UHFFFAOYSA-N 298.367 3.590 30 20 CHED Cc1nc(N2CC[C@H](c3ccccc3)[C@@H]2C)ccc1C#N 488118292 AKPRAYKIXYWTGS-YOEHRIQHSA-N 277.371 3.644 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)c(C)c2)C1 488472146 XDGSBBJPGRNMEH-IRXDYDNUSA-N 288.460 3.973 30 20 CHED C=CCC[C@H](CC)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 488488784 RYQWNVUZROBBNJ-AGIUHOORSA-N 264.417 3.714 30 20 CHED C=C[C@H]1CCCCN1CCCCC(=O)OC(C)(C)C 489488263 KUFRVVSGPLMVSH-AWEZNQCLSA-N 267.413 3.539 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cccc(Cl)c1OC(C)C 491516102 QYHOKGANWNKFDJ-NSHDSACASA-N 294.782 3.613 30 20 CHED C#C[C@@H](NCc1cccnc1C)c1ccc(Cl)cc1F 491626217 IIDQJGOUWFLENO-MRXNPFEDSA-N 288.753 3.647 30 20 CHED C=CCN(C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 494635218 YVMDLCVIGQUGSR-UHFFFAOYSA-N 298.173 3.661 30 20 CHED C=CCc1ccc(OCCSC(C)C)c(OC)c1 509807770 RWTQHHSXHFPGSK-UHFFFAOYSA-N 266.406 3.944 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCCCC1(C)C 510207751 CCSTXYOZBQLGFO-OAHLLOKOSA-N 270.376 3.565 30 20 CHED C=C(CNC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1ccccc1 512661370 ROTFXWQFAJCYQH-PBHICJAKSA-N 286.419 3.920 30 20 CHED C=C(C)CN[C@H](c1c[nH]c2ccccc12)C(F)(F)F 513173700 LOFDXTDOFDYXRN-CYBMUJFWSA-N 268.282 3.937 30 20 CHED C=CCC(C)(C)c1noc(C2(C#N)CCCCC2)n1 514664663 QQBWOFRCNPZHNB-UHFFFAOYSA-N 259.353 3.649 30 20 CHED C=CC1CCN(C(=O)CSc2ccc(C)cc2C)CC1 521956457 YMRDARMIKITEFR-UHFFFAOYSA-N 289.444 3.820 30 20 CHED C=CCCCCCN(C)c1nc2ccccc2cc1CO 523533599 SYXSXOJMVVRXCC-UHFFFAOYSA-N 284.403 3.910 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccccc1C#N 524757323 UXDOGTPRGCAAEU-CKEIUWERSA-N 254.377 3.711 30 20 CHED CC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)cc1F 524758318 ZYXJMNGRVYAWLG-OAHLLOKOSA-N 260.356 3.708 30 20 CHED C=CCCCNc1cc(OC)ccc1OC(F)F 524844339 HZXHTEDBONIJMW-UHFFFAOYSA-N 257.280 3.675 30 20 CHED C=C[C@H](CC(=O)N(CC)C1CCC1)c1ccccc1 535396997 WBCFNOMAEZFPDW-CQSZACIVSA-N 257.377 3.747 30 20 CHED C=C(CC)CN(CCC)[C@H](C)C(=O)Nc1ccccc1 536904698 KPWYYECQCVMWTB-OAHLLOKOSA-N 274.408 3.692 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NCc1ccc(C#N)cc1 542554241 WWKYUSFZSFDTOV-CYBMUJFWSA-N 272.392 3.637 30 20 CHED CCC[C@H]1CCCCN1Cc1ccc(F)cc1C#N 542626087 CZRLTCNPQWBGKB-INIZCTEOSA-N 260.356 3.852 30 20 CHED CC#CCCNC(=O)Nc1cc(-c2ccccc2)cnc1C 544602195 ORFRLJZDJZYKGN-UHFFFAOYSA-N 293.370 3.592 30 20 CHED C=C[C@H](Cc1nc(Cc2ccncc2)no1)c1ccccc1 547010775 FEWGVPUGMRLFCG-OAHLLOKOSA-N 291.354 3.568 30 20 CHED CC(C)c1ccc2occ(C(=O)NCC3(C#N)CC3)c2c1 553213201 QEHVATLJBMLFLA-UHFFFAOYSA-N 282.343 3.590 30 20 CHED C=C(C)CCc1noc(-c2cnc3ccsc3c2)n1 556806110 YTKUFOPJIZGYQG-UHFFFAOYSA-N 271.345 3.855 30 20 CHED C=C(C)CCN1CCc2cc(OC)c(Cl)cc2C1 559450612 SAHXJPHAGCVOFY-UHFFFAOYSA-N 265.784 3.673 30 20 CHED C=CCCc1noc(-c2ccc(OC3CCCC3)nc2)n1 562570519 MHEIEBPEVXOCCH-UHFFFAOYSA-N 285.347 3.572 30 20 CHED C=CCCCCCNC(=O)[C@@H](C)c1ccc(F)c(F)c1 563356898 QPABMELSBPOQKP-LBPRGKRZSA-N 281.346 3.931 30 20 CHED C=CCC(C)(C)C(=O)Nc1onc(C(F)(F)F)c1CC 566421438 QFJYVOOIKGYKCM-UHFFFAOYSA-N 290.285 3.797 30 20 CHED N#Cc1c(NCC2(C(F)F)CC2)cccc1C(F)F 567123933 WGKQTPSZGPIIRW-UHFFFAOYSA-N 272.245 3.953 30 20 CHED N#CCC[C@@H](C#N)CNc1cccc(CC(F)(F)F)c1 567378950 VXYSNCDQFUJWDN-LBPRGKRZSA-N 281.281 3.647 30 20 CHED CC#CCN(C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 571119175 FRVSSHXRLFETLQ-NEPJUHHUSA-N 296.197 3.579 30 20 CHED N#CC1(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)CCC1 571756797 TUQMJCMNASUGPE-IRXDYDNUSA-N 296.414 3.770 30 20 CHED Cc1ccccc1N(Cc1ccc(C#N)cn1)C(C)C 573100797 BFMMGSHFTPWUHS-UHFFFAOYSA-N 265.360 3.677 30 20 CHED CCCN(CCN1CCCCCC1)CC(C)(C)CCC#N 573167413 GYIXPCMCRPSJGH-UHFFFAOYSA-N 293.499 3.904 30 20 CHED C[C@H](C#N)CNC(=O)Nc1cccc(-c2ccccc2)c1 574662856 CDDSKTFFWGHITL-CYBMUJFWSA-N 279.343 3.635 30 20 CHED N#Cc1c(N[C@@H]2CCC[C@@H](F)C2)nc2cc(Cl)ccn12 574914078 XXNYIXPMIRZMHS-GHMZBOCLSA-N 292.745 3.552 30 20 CHED Cc1cccc2c1sc(=O)n2CCCC(C)(C)C#N 577279928 SGKCXKYWDOAVPO-UHFFFAOYSA-N 274.389 3.701 30 20 CHED N#Cc1ncccc1N1CCC[C@H](c2ccc(F)cc2)CC1 579418548 IZQKDUCSUOMABU-AWEZNQCLSA-N 295.361 3.866 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc2c1ccn2C 579922089 NHCYGDXPQNVMSS-UHFFFAOYSA-N 271.364 3.512 30 20 CHED C=CCCCCSCc1nc(C(=O)OC)cs1 580884193 GXPWIEHFANCCSM-UHFFFAOYSA-N 271.407 3.519 30 20 CHED C[C@H](c1cccc2ccccc12)N1CC(C)(C#N)C1 582673892 HEAOHOXJGSVGNC-CYBMUJFWSA-N 250.345 3.746 30 20 CHED CC[C@@H](CC#N)N[C@H](CC)c1ccc(F)cc1F 583033033 AWZKRHIWHKCAEC-SMDDNHRTSA-N 252.308 3.698 30 20 CHED Cc1oc(C)c(C(=O)N(CCC#N)CCC(C)C)c1C 585698576 WVFMMCMOKRFFBD-UHFFFAOYSA-N 276.380 3.607 30 20 CHED Cc1c(C(=O)/C=C\c2ccccc2C(F)(F)F)cnn1C 588397069 VAYHUKSSZRBNLM-FPLPWBNLSA-N 294.276 3.643 30 20 CHED C=CCN(Cc1ccc(OC)cc1)[C@H]1C=CCCC1 590400940 ZMEBMBIDEJOQHK-INIZCTEOSA-N 257.377 3.792 30 20 CHED C[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CCCC1 591808814 TVAZDMZBBTUDSH-ZIAGYGMSSA-N 284.403 3.904 30 20 CHED C[C@@H]1SCC[C@@H]1N[C@H]1CCCCc2cc(C#N)ccc21 592400504 UXEVREXUOUZVMQ-ZLIFDBKOSA-N 286.444 3.809 30 20 CHED Cc1c[nH]cc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 592973352 DNFUAZANUXGTKM-SNVBAGLBSA-N 299.330 3.562 30 20 CHED COc1cccc(-c2ccccc2C2(C#N)CC2)c1OC 592986120 SYTWZLJVXMOHRZ-UHFFFAOYSA-N 279.339 3.926 30 20 CHED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCCC#N 595033655 RFPUYRHXLZCXEB-AWEZNQCLSA-N 284.325 3.920 30 20 CHED N#Cc1ccc(CCN2CC[C@H](c3ccccc3F)C2)cc1 595309900 BTVDYXNGWNPJSD-KRWDZBQOSA-N 294.373 3.729 30 20 CHED CC[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 595568419 UWNMZLFYBTVAHP-CVEARBPZSA-N 285.391 3.519 30 20 CHED N#CC[C@H]1CCCN(Cc2ncc(Cl)cc2Cl)C1 595621073 SCDGNAAYDVLCSD-SNVBAGLBSA-N 284.190 3.514 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC[C@@H](C3CCCCC3)C2)C1 595881906 XNVOIIFNPHTOPZ-OIISXLGYSA-N 260.425 3.971 30 20 CHED COCc1cccc(CSCC2(CC#N)CC2)c1 596350408 NFBMVRVFDBGRIQ-UHFFFAOYSA-N 261.390 3.760 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)CC1(C#N)CCCCC1 596626412 LYECIEJQQFNPIB-MRXNPFEDSA-N 298.430 3.988 30 20 CHED CCCOc1ccc(CN(CC)C[C@H](C)C#N)c(C)c1 596990552 FAKVPDSKCXVVDX-CQSZACIVSA-N 274.408 3.765 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 597994513 JFQWQQGDPGQAQA-YJBOKZPZSA-N 296.414 3.552 30 20 CHED N#Cc1c(NC(=O)CCCF)sc2c1CCCCCC2 598808116 MFNIMNXXBLWZSM-UHFFFAOYSA-N 294.395 3.967 30 20 CHED N#Cc1ccccc1CSCc1noc(C2CCC2)n1 600617392 DYJCFTNNYWZRGV-UHFFFAOYSA-N 285.372 3.642 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2ccccc2CC#N)c1 601120229 HYJHWTZKUVJJHP-HNNXBMFYSA-N 292.382 3.861 30 20 CHED CCCCC1=NN(c2ccc(C#N)c(Cl)c2)C(=O)[C@H]1C 601948074 JSVIRWCFNHAQGW-JTQLQIEISA-N 289.766 3.741 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CC[C@@H]1c1ccccc1 602714542 BKLPZAOWSIDHLH-CGTJXYLNSA-N 298.430 3.621 30 20 CHED COc1ccc(C[C@H]2CCCN(CC3(CC#N)CC3)C2)cc1 602784529 RYBXNROZJHHBSL-QGZVFWFLSA-N 298.430 3.644 30 20 CHED C=CCSCCNC(=O)c1cc2ccc(F)cc2s1 604486744 MNMPUMDBIDBDLW-UHFFFAOYSA-N 295.404 3.689 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H](CC)CC2)cc1 604948754 QZFOSBRBNSSJBU-HNNXBMFYSA-N 287.403 3.904 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccnc2ccccc12 605616764 JUSDFUSBTRUBSB-UHFFFAOYSA-N 282.387 3.592 30 20 CHED C=CCSCCNC(=O)N1CCC2(CCCCC2)CC1 608837964 OJXXIBHXCOAQDK-UHFFFAOYSA-N 296.480 3.662 30 20 CHED CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C#N)c(C#N)c2)C1(C)C 610207714 CPIDLXQTJYAYSB-JKSUJKDBSA-N 293.370 3.607 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N 610280326 LEFPKOSJESGXHM-SJORKVTESA-N 293.326 3.609 30 20 CHED N#Cc1ccc(CNC[C@H]2CCc3ccccc3C2)s1 610511472 IKSRAMDKISGJKL-ZDUSSCGKSA-N 282.412 3.514 30 20 CHED CCCCCOc1ccc(Oc2ccc(C#N)nn2)cc1 611239025 DAVDWWFXYMMCTE-UHFFFAOYSA-N 283.331 3.710 30 20 CHED C[C@]1(C#N)CCCN(Cc2cccc(F)c2Cl)C1 612157834 DWTFEAQZZSROLV-CQSZACIVSA-N 266.747 3.605 30 20 CHED C=CCN(c1nnc(C2CCCC2)n1CC1CC1)C1CC1 612761728 AYNMAJRYBKASLB-UHFFFAOYSA-N 286.423 3.501 30 20 CHED N#C[C@@]1(F)CCN(Cc2sc3ccccc3c2Cl)C1 615636148 VHTOZFMOQPFYDN-AWEZNQCLSA-N 294.782 3.992 30 20 CHED Cc1cccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 618667395 AQCXEALFBPZSMV-KRWDZBQOSA-N 291.354 3.676 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1NC(C)C)OCC 618883934 DDCRXWVFNHUGFR-MRXNPFEDSA-N 290.407 3.817 30 20 CHED C=CCCN[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl 658117674 YOVLNPCCFBVJPX-LBPRGKRZSA-N 280.799 3.531 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCc1ccoc1 661764597 GXKYALCUPOSCQW-UHFFFAOYSA-N 298.386 3.610 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2Cc1csc(C(C)C)n1 662080823 QSCZMDOUMZTPLK-OKILXGFUSA-N 262.422 3.950 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cscc1C 664769351 BZOQXDUAHJPTQD-UHFFFAOYSA-N 266.410 3.601 30 20 CHED C=CCCCCCN(C)C(=O)c1ncc2ccccc2c1O 669049472 VJOMFKUDHOUPHO-UHFFFAOYSA-N 298.386 3.759 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCCc3cccnc32)cc1 671764788 PMBCMYDWMXFPEC-GOSISDBHSA-N 294.398 3.814 30 20 CHED C=C[C@@H](C)NC(=O)c1coc2ccc(C(C)C)cc12 672211447 KFJAXTZWMIBCBP-LLVKDONJSA-N 257.333 3.861 30 20 CHED C=C(CNC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccccc1 673342578 SVRNHPDLCLOYPV-MRXNPFEDSA-N 295.382 3.592 30 20 CHED C=C(CNCc1cnc(C2CC2)s1)c1ccccc1 675551597 NBIRHYIOSNZIQP-UHFFFAOYSA-N 270.401 3.824 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1 675933331 BMVQAEOLROCBHU-ZIAGYGMSSA-N 252.361 3.974 30 20 CHED C=CCC[C@H](N[C@@H](C)CCCCO)c1ccccc1 679356724 HQXFPMASLPSLHO-RDJZCZTQSA-N 261.409 3.835 30 20 CHED C=CCN(C)C(=O)CCn1c2ccccc2c2ccccc21 681674942 WUNPXTHJOFWMKE-UHFFFAOYSA-N 292.382 3.829 30 20 CHED C=C(C)CNC(=O)Nc1c(C)cc(C)cc1Cl 681766330 SDVMJJQLRCKMJX-UHFFFAOYSA-N 252.745 3.654 30 20 CHED C=C(Br)CN1CCC[C@H]1C1CCCCC1 688839387 ZEQANRXTWMWIFW-ZDUSSCGKSA-N 272.230 3.940 30 20 CHED N#Cc1cc(CSc2nccn2C2CC2)ccc1F 689783391 WVTUCAXTRVWDIX-UHFFFAOYSA-N 273.336 3.521 30 20 CHED C#C[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(C)C 700567938 WIBAWIQENOKKPE-FZMZJTMJSA-N 295.835 3.595 30 20 CHED C#C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)C(C)(C)C 702243602 ITIXNTOWCOKQQE-AWEZNQCLSA-N 289.806 3.536 30 20 CHED C[C@H](OC(=O)/C=C\c1ccccc1)c1cccc(C#N)c1 727640071 BGDAMVBQRBXOBR-BMSUMIBZSA-N 277.323 3.876 30 20 CHED C=C(C)CNC(=S)N[C@H](c1ccccc1)C1CCC1 729159231 IVDBPCGPRKZZHG-OAHLLOKOSA-N 274.433 3.568 30 20 CHED N#CCOc1ccc(CNc2ccc(Cl)cc2C#N)cc1 729182182 PDFXTORQYDFBNL-UHFFFAOYSA-N 297.745 3.726 30 20 CHED Cc1cccc2c1C/C(=C/c1cccc(OCC#N)c1)C2=O 730149520 JIOFJLGEQCXECA-GDNBJRDFSA-N 289.334 3.720 30 20 CHED Cc1cc(C=NNc2cnnc3ccccc23)ccc1F 733748367 SXTZGCUZJQUAMW-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C=C(Br)CN(Cc1ccc(F)cc1)CC1CC1 734641220 XTRJNLJDRWCCMZ-UHFFFAOYSA-N 298.199 3.946 30 20 CHED CC(C)Cc1ccc(COC(=O)C2(C#N)CCC2)cc1 736846282 XFZGDZGDXJPRSU-UHFFFAOYSA-N 271.360 3.622 30 20 CHED CCCCCCCCC(=O)N1CCSC[C@H]1C 737713031 UJYGEUGTQAOEGZ-CYBMUJFWSA-N 257.443 3.701 30 20 CHED Fc1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1 739422569 ZQDNZLBJBZWFHS-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C#C[C@H](C)OC(=O)c1ccc(-c2ccccc2Cl)o1 741152502 BFQWLCZWZGRMSQ-JTQLQIEISA-N 274.703 3.779 30 20 CHED C/C(=C\C(=O)NC(C)(C)C#N)c1cccc(C(F)(F)F)c1 742651548 MZVLIIQKMLZTJV-JXMROGBWSA-N 296.292 3.527 30 20 CHED N#Cc1cccc(NN=Cc2coc3ccccc23)c1 746566175 RWZHGLLFIPPAPY-UHFFFAOYSA-N 261.284 3.750 30 20 CHED COc1ccc([C@@H](C)[C@H](C)NCc2ccc(C#N)cc2)cc1 747100112 RLRDECDOBCDNAL-GJZGRUSLSA-N 294.398 3.849 30 20 CHED CCOc1ccc(/C=C2/Cc3ccc(OC)cc3C2=O)cc1 747439474 BEQYUGWTTADDNC-GDNBJRDFSA-N 294.350 3.916 30 20 CHED C#CCN(CC)C(=O)Nc1ccccc1-c1cccs1 749225417 KAGGGPNIACQABI-UHFFFAOYSA-N 284.384 3.902 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)[nH]1 752512707 RAWVWZBDINNPRG-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](CC)c1cccc(Cl)c1 753084528 PTYKCMVNPFMYPW-ZIAGYGMSSA-N 278.783 3.502 30 20 CHED C#Cc1ccccc1C(C)=NNc1ccc(F)cc1F 753691742 MYKGCNOZQQRPAN-UHFFFAOYSA-N 270.282 3.782 30 20 CHED Cc1cccc(C)c1C=NNc1ccc(C(F)(F)F)nn1 755817439 YPDRSLKCHQSJGO-UHFFFAOYSA-N 294.280 3.558 30 20 CHED CC(C)c1ncc(C=NNc2ccccc2F)s1 758373881 LHWYFYPXCPAQQN-UHFFFAOYSA-N 263.341 3.852 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1cccc(C#N)c1)O2 759117791 QHACCSMQXXLBJH-MFOYZWKCSA-N 275.307 3.791 30 20 CHED C=CCOc1ccc(COC(=O)/C=C\c2ccco2)cc1 763640375 GYCPKPBCKHNSQA-KTKRTIGZSA-N 284.311 3.601 30 20 CHED Clc1ccccc1NN=CCCC1CCOCC1 764886953 VUCVIKLPBOYAMD-UHFFFAOYSA-N 266.772 3.945 30 20 CHED COC(=O)c1coc(C(C)=NNc2ccccc2Cl)c1 766432640 XKVKYZDBSJYUPZ-UHFFFAOYSA-N 292.722 3.556 30 20 CHED Cc1ccc(C=NO[C@H]2CCCCO2)cc1Cl 766452926 KAWPQPCTOBMHFF-ZDUSSCGKSA-N 253.729 3.526 30 20 CHED Cc1cc(/C=C/C(=O)c2ccccc2F)ccc1C#N 766484368 OAMKRNNXVVDBOB-VQHVLOKHSA-N 265.287 3.902 30 20 CHED C#CCCCN1CCSC[C@H]1c1ccc(Cl)cc1 766906582 RSPPWYMYMOTDKX-HNNXBMFYSA-N 279.836 3.843 30 20 CHED C[C@@H]1CC[C@@H](Nc2ccc(F)cc2OCC#N)C[C@H]1C 768519732 WDVAWOMIAGNNFC-YRGRVCCFSA-N 276.355 3.965 30 20 CHED CCCCCCCCNC(=O)Cc1ccc(C)c(O)c1 772921514 NSIJYXPJIQANCA-UHFFFAOYSA-N 277.408 3.720 30 20 CHED Cc1ccc(/C=C2/CC(=O)Nc3ccccc3C2=O)c(C)c1 774144750 LKOHJDZVNRLUQO-GDNBJRDFSA-N 291.350 3.912 30 20 CHED CCOCCON=C(C)c1cc(Cl)ccc1Cl 774417553 NQXNABWHQIMKAO-UHFFFAOYSA-N 276.163 3.771 30 20 CHED CCC(CC)CNN=C[C@@H]1CCOc2ccccc21 774460386 HFIOHKIINZOLBU-AWEZNQCLSA-N 260.381 3.564 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Cl)nc1 775376883 DLFCVTWYSGVXCW-INIZCTEOSA-N 297.789 3.774 30 20 CHED C=C(CC)COC(=O)CCc1ccc2[nH]ccc2c1 775961556 MYAUNWOHOKNRBW-UHFFFAOYSA-N 257.333 3.610 30 20 CHED Cc1ccc(F)cc1C=NNc1cnc2ccccc2n1 777886586 OEVGVZJRIPMWLB-UHFFFAOYSA-N 280.306 3.523 30 20 CHED O=C(/C=C\c1cccc(Br)n1)c1ccsc1 777916460 JDPNKXJSXPELQK-PLNGDYQASA-N 294.173 3.802 30 20 CHED C=CCN(CCc1ccco1)c1ncnc2sc(C)cc12 778605863 SZFPICZJNAWSKK-UHFFFAOYSA-N 299.399 3.828 30 20 CHED Cc1cccn2c(/C=C\C(=O)c3ccnc(Cl)c3)cnc12 779460690 RYFSKMUXHDHWCD-PLNGDYQASA-N 297.745 3.587 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N1CC[C@@](O)(CC)C1 779535397 IBHIJSKBOWWTHQ-RDJZCZTQSA-N 298.471 3.539 30 20 CHED COc1ccc(NN=Cc2cccc3ccccc23)nc1 780269457 RAAYEEPZZUJGOL-UHFFFAOYSA-N 277.327 3.689 30 20 CHED CC(C)C(C)(C)NC(=O)Nc1ccccc1O[C@H](C)C#N 780682356 UNTYHHNHVJOSKR-GFCCVEGCSA-N 289.379 3.534 30 20 CHED CC[C@H](C)c1ccc(C(=O)N2CCC(CC#N)CC2)cc1 782054736 LLZCCCBOKWBIKD-AWEZNQCLSA-N 284.403 3.966 30 20 CHED Clc1cnc(NN=C[C@@H]2CCSC2)c(Cl)c1 782152739 RQIZKYUUJIWQGV-ZETCQYMHSA-N 276.192 3.539 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cc(F)c(F)c(F)c1 782288995 UACZATAAHZPTIT-GFCCVEGCSA-N 270.298 3.606 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1nncc2ccccc12 783793492 UWFCFCYDKJEALW-NEPJUHHUSA-N 268.364 3.854 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1cc2ccsc2[nH]1 784634523 RRRTULNMOXIIDT-OAHLLOKOSA-N 293.388 3.615 30 20 CHED CC(C)Oc1ccccc1C=NNC1CCCCC1 786043700 SNGNJSIMDYOUPS-UHFFFAOYSA-N 260.381 3.730 30 20 CHED COC(=O)c1cc(N=Cc2ccccc2O)c(C)cc1C 788285411 QGYHBDCPORVXLA-UHFFFAOYSA-N 283.327 3.546 30 20 CHED CCCCc1nc(C=NNc2ncccc2C)c(Cl)[nH]1 790193142 VOCWBOXPWHSCMO-UHFFFAOYSA-N 291.786 3.555 30 20 CHED C#C[C@H](CCC)NC(=O)C1CCC(c2ccccc2)CC1 791201996 UZRCPKKWDVGQME-DAWZGUTISA-N 283.415 3.879 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(-c2ccccc2F)o1 791202895 VOKRQWZYOKPOFJ-LBPRGKRZSA-N 285.318 3.617 30 20 CHED CC[C@H](C)CC(=O)OCc1ccc(C#N)cc1OC(F)F 791498144 LPFJTPXQXSFYHH-JTQLQIEISA-N 297.301 3.639 30 20 CHED CC(C)[C@H]1CC(=NNc2ncncc2F)c2ccccc21 793217197 BTPNKUFGGVAHCL-CYBMUJFWSA-N 284.338 3.575 30 20 CHED CCN(Cc1ccc(N(C)CCC#N)cc1)CC1CCC1 793352270 KIFGFUFYNFDXHW-UHFFFAOYSA-N 285.435 3.658 30 20 CHED C#Cc1cccc(N(CC)C(=O)COC2CCC(C)CC2)c1 793413331 HGJXPRHQMOBBJA-UHFFFAOYSA-N 299.414 3.616 30 20 CHED C#C[C@@H](CCC)NC(=O)c1sc2ccc(C#N)cc2c1C 794452604 DIVZEKYLHIXZFV-ZDUSSCGKSA-N 296.395 3.613 30 20 CHED O=C(/C=C/c1cc(F)c(F)cc1F)c1ccnc(F)c1 794718889 GJYAKAKMFXJGFA-OWOJBTEDSA-N 281.208 3.534 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 795751847 SZNLJTGKVUBXTO-YESZJQIVSA-N 290.451 3.991 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1cc(C)c(Cl)c(C)c1 796783570 YZYBBOZBOUHMKF-AWEZNQCLSA-N 265.740 3.802 30 20 CHED Cc1ccc([C@H](O)[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 797061013 MRSWAPOTWKNHAF-QMTMVMCOSA-N 294.398 3.639 30 20 CHED CSC[C@@H](C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797571060 NDDOCZLHIMVWDT-NXEZZACHSA-N 296.461 3.616 30 20 CHED Cc1ccc(F)c([C@@H](C)OC(=O)c2cc(C#N)oc2C)c1 797955050 CEIDHFOJGJWDPT-SNVBAGLBSA-N 287.290 3.825 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)C(C)C 798556431 JQFWCNFPNNKTBE-WFASDCNBSA-N 292.810 3.700 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)c2ccc(C)c(C#N)c2)C1 799340189 HSODGFLHXUTWPK-XJKSGUPXSA-N 270.376 3.565 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC(C(F)F)CC2)c1 799465970 UCGTXTOTYVWBFW-UHFFFAOYSA-N 283.278 3.818 30 20 CHED CCc1ccc(OC(=O)/C=C\c2ccccc2C#N)cc1 799640114 LRYGRQUECBVORK-XFXZXTDPSA-N 277.323 3.739 30 20 CHED C#C[C@@H](NC(=O)c1ccc(-c2csc(C)n2)cc1)C(C)C 799733600 NQXDAWOEVZNZGO-OAHLLOKOSA-N 298.411 3.506 30 20 CHED CCCCCCCCN[C@@H]1CCC12CCOCC2 800480106 QRQFTGGFAYOPOV-OAHLLOKOSA-N 253.430 3.896 30 20 CHED N#Cc1sc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)nc1Cl 804344275 OQECAACTZAKNLN-NZHYYXIDSA-N 293.823 3.905 30 20 CHED O=C(/C=C/c1cc(F)ncc1F)c1ccc(Cl)cc1 806565486 OLVJINRVHOIEPO-ZZXKWVIFSA-N 279.673 3.909 30 20 CHED CCCCCCC[S@@](=O)Cc1c(C)cc(C)nc1OC 806642361 QRWJFTGZTLVBPI-HXUWFJFHSA-N 297.464 3.926 30 20 CHED C#C[C@H](CC)N[C@@H](C)Cc1ccc(Br)c(F)c1 809686389 QHYXPLMBGPXPCW-CMPLNLGQSA-N 298.199 3.521 30 20 CHED C=CCCCCCCCNC(=O)Nc1cn(C)nc1CC 809887795 MGZMUWQHVGZYFA-UHFFFAOYSA-N 292.427 3.631 30 20 CHED N#CC1(COC(=O)CCCc2ccccc2Cl)CCC1 810679468 RXTIGNKTECYTMS-UHFFFAOYSA-N 291.778 3.900 30 20 CHED C[C@H](C=NNC[C@@H]1CCSC1)CCc1ccccc1 811659892 APXIINCUZYIPBZ-HOCLYGCPSA-N 276.449 3.584 30 20 CHED CC(=NOC/C=C/Cl)c1cnn(-c2ccccc2)c1C 811669051 LWKBPHBBIUAQLJ-ODGAGTQYSA-N 289.766 3.674 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)cc2)cc1O 811697381 CLXHWWXWBKPTMY-CLFYSBASSA-N 268.312 3.605 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccccc1C#N 814815199 PWGBBQSAKHNNOQ-ZDUSSCGKSA-N 263.344 3.633 30 20 CHED COCCON=C1CCCC[C@@H]1C1=CCCCC1 814865050 NPIXGZRELUDHMJ-CQSZACIVSA-N 251.370 3.696 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(COC)cc1 815220207 UHSVGVALOKRPHW-UHFFFAOYSA-N 274.360 3.645 30 20 CHED C=CCC(F)(F)C(=O)NCC1(Sc2ccccc2)CC1 815545931 UQJIPCDKXABFST-UHFFFAOYSA-N 297.370 3.639 30 20 CHED CC(C)c1ccc2cc(C(=O)N(C)CC(C)(C)C#N)[nH]c2c1 817618037 QDIGNUBHZYHKBO-UHFFFAOYSA-N 297.402 3.913 30 20 CHED C=C(C)C(C)(C)C(=O)OCCCCOC(C)(C)C 821448130 OYPCNRQACBGZDM-UHFFFAOYSA-N 256.386 3.727 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N(C)c1ccc(C(C)(C)C)cc1 822697643 RLMQKSLONRQHBT-UHFFFAOYSA-N 295.386 3.769 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)Cc1cnn(C)c1 825045178 CEQXVMDXBLIKKH-HUUCEWRRSA-N 265.445 3.690 30 20 CHED C=C(Cl)CNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 828213196 ARFMWLJBVVTWDX-CABCVRRESA-N 277.795 3.514 30 20 CHED C=CCCCCN1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 828468644 TUVCODRTTWWKBE-GJZGRUSLSA-N 296.455 3.578 30 20 CHED C=CCC[C@H](NCc1ccoc1C(=O)O)c1ccccc1 833373096 FVGNSQHCWKQNGH-HNNXBMFYSA-N 285.343 3.775 30 20 CHED C#CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 833612209 OMNLTKFMOQUPEQ-DLBZAZTESA-N 283.415 3.736 30 20 CHED CC(C)(C)Oc1ccc(NCC[C@@H]2CCCO2)cc1C#N 834634619 DEYFABCAGDZEMP-HNNXBMFYSA-N 288.391 3.717 30 20 CHED O=C1/C(=C/c2ccc(Cl)s2)Oc2cc(O)ccc21 834808392 ZNMWEZGZORJRSD-WDZFZDKYSA-N 278.716 3.723 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 834904397 XUOKJFMSPRBFNQ-LJQANCHMSA-N 277.367 3.541 30 20 CHED C=CCC[C@H](C)OC(=O)c1cc2cccnc2s1 835267728 NECDVTJVPZSZOS-JTQLQIEISA-N 261.346 3.808 30 20 CHED Cc1nc(-c2ccco2)ccc1C(=O)OCC1(C#N)CCC1 837493590 NRCYQJSQHMPYPV-UHFFFAOYSA-N 296.326 3.501 30 20 CHED C[C@@H](C(=O)OCc1ccc(C#N)cc1Cl)C1CCC1 838389245 ROJRYONZKNBAAK-SNVBAGLBSA-N 277.751 3.691 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cnc(-c2ccccc2)s1 839033912 JISORAZHLZWWPR-GFCCVEGCSA-N 285.368 3.769 30 20 CHED C=CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(C)C 839245074 NCLXSWTTWKIIID-UHFFFAOYSA-N 296.754 3.593 30 20 CHED C[C@@H]1C[C@H](/N=C/c2c(O)ccc3ccccc23)CS1 840712023 UXUXHLPNBOZAJN-FMBJEWMDSA-N 271.385 3.858 30 20 CHED Cc1cc(/C=C2\C[C@H](C)c3ccccc3C2=O)n(C)n1 841484789 BYSJAFSCMURXCN-CDDSVFCYSA-N 266.344 3.502 30 20 CHED CC1(C)CC=C(C(=O)Oc2cccc(OCC#N)c2)CC1 842427884 YHJYHDVZUYEVRP-UHFFFAOYSA-N 285.343 3.631 30 20 CHED C=CCCCCCCNC(=O)[C@H](C)Cc1ccc(C#N)cc1 847049740 RCPGHVQRRXQTPC-MRXNPFEDSA-N 298.430 3.990 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2ncc(C(C)C)s2)c1 847175790 LGGGDQIXMGJAKS-UHFFFAOYSA-N 299.399 3.916 30 20 CHED CC(C)[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)c1cccnc1 851204254 NIHYKBCMXSWTED-ZFWWWQNUSA-N 288.391 3.693 30 20 CHED C=CC(C)(C)CCOC(=O)c1csc(C(C)=O)c1 851300114 KJDURVHXYRZPDJ-UHFFFAOYSA-N 266.362 3.710 30 20 CHED C=C[C@@H](OC(=O)CCC(=O)OC(C)(C)C)c1ccccc1 851451477 IIYDJYQVOSCLFP-CQSZACIVSA-N 290.359 3.579 30 20 CHED C=C[C@@H](OC(=O)c1oc(CC)nc1C)c1ccccc1 851452165 PKQMHPHNJMVRMZ-CYBMUJFWSA-N 271.316 3.630 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1ccc2c(c1)CCCO2 853011268 UVGYRORXHAGEPE-SREVYHEPSA-N 296.370 3.685 30 20 CHED CC(C)(C)c1cnc(C=NOCC2CCC2)s1 853440610 FWQJQRDRUWFBQJ-UHFFFAOYSA-N 252.383 3.591 30 20 CHED C[C@H](C=NOCC1CCC1)c1cc(F)cc(F)c1 853440680 JVRMPHCZQJSXST-SNVBAGLBSA-N 253.292 3.871 30 20 CHED C=C(C)CCc1noc(CC[C@H]2CC2(Cl)Cl)n1 854057784 BAMDDTDKWHOGEO-VIFPVBQESA-N 275.179 3.705 30 20 CHED CC(C)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 854375254 KOZWWVHKEPLXNX-BCDXTJNWSA-N 281.399 3.583 30 20 CHED CCCCCCCCC(=O)N(C1CC1)[C@H](C)C#N 855583681 GXQDYMXNKJHFPD-CYBMUJFWSA-N 250.386 3.640 30 20 CHED CCC(C#N)(CC)C(=O)OCCOc1cccc(Cl)c1 860194687 XZUKUDMRWZGKAN-UHFFFAOYSA-N 295.766 3.592 30 20 CHED Cc1cc(/C=C\C(=O)c2cccc(C(C)C)c2)n(C)n1 863195997 UMSVNUDTMGOLOJ-HJWRWDBZSA-N 268.360 3.748 30 20 CHED N#Cc1cccc(N2Cc3cccc(Cl)c3C2)c1[N+](=O)[O-] 864018138 MFUZIHHNPKDUQQ-UHFFFAOYSA-N 299.717 3.640 30 20 CHED CCC[C@@H](C/N=C\c1cc2ccccc2nc1O)OCC 864345437 WWXXLIUBIUQOCF-GZQZNAIASA-N 286.375 3.565 30 20 CHED Cc1nc(Cl)ccc1N[C@@H](C)CC1(C#N)CCOCC1 877487643 CDKMKBRZYFZTBW-NSHDSACASA-N 293.798 3.554 30 20 CHED C=CCC1(C(=O)NCC(C)(C)C2CCOCC2)CCCC1 887386117 OSEMRKHGFBQUHO-UHFFFAOYSA-N 293.451 3.692 30 20 CHED Cc1cocc1C(=O)N(O)Cc1cccc2ccccc12 901370701 DVGMUIBPCBDIRJ-UHFFFAOYSA-N 281.311 3.773 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1coc(C(C)(C)C)n1 901403169 YOMCIMSWQSHHHU-LBPRGKRZSA-N 299.374 3.875 30 20 CHED CCCOc1ccc(/C=C/C(=O)c2cc3n(n2)CCC3)cc1 901560970 LBYCSDCNGGDICQ-JXMROGBWSA-N 296.370 3.514 30 20 CHED C=CCCCC[C@H](C)N[C@H](CC(C)(C)C)C(=O)O 901805212 GDQDZYYVHMVCKT-QWHCGFSZSA-N 255.402 3.600 30 20 CHED C=C(C)C(C)(C)c1nc([C@H](OCC)C(C)C)no1 904125120 IHJGMIKBUZTTIF-LLVKDONJSA-N 252.358 3.657 30 20 CHED C=CCCC[C@@H](N)c1nc([C@@H](C)C(C)(C)C)no1 904612186 JHMJJDFLNMBYRE-GHMZBOCLSA-N 251.374 3.575 30 20 CHED CSC1(C(=O)OCCCCC2(C#N)CCC2)CCC1 909259584 NEJAYHULWUMOFL-UHFFFAOYSA-N 281.421 3.679 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CF)C1 909271060 VRWUWVKZHHSDGC-UONOGXRCSA-N 294.418 3.554 30 20 CHED Cc1ccc(/C=C2/Oc3cc(O)cc(C)c3C2=O)s1 915988697 BYRUDGPOBXFKDA-NTUHNPAUSA-N 272.325 3.687 30 20 CHED CC(=NNc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 916255811 BFGGQVVHNVBNSP-UHFFFAOYSA-N 269.304 3.739 30 20 CHED C=CCN(CC=C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 916642106 JANBUJKGIVXXMA-OAHLLOKOSA-N 294.398 3.841 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)cc1C 917502713 SBCKGCBJRAWLTO-SFHVURJKSA-N 290.366 3.503 30 20 CHED CCCOc1ccc(C=NNCc2ccc(OC)cc2)cc1 917547541 VFCNUYNWJBBDHA-UHFFFAOYSA-N 298.386 3.608 30 20 CHED Fc1ccc(NN=Cc2csc(C3CC3)n2)c(F)c1 920356214 ITVBHIVEJGLNRA-UHFFFAOYSA-N 279.315 3.745 30 20 CHED COc1ccc(O)c(C=Nc2cccc(C)c2C)c1 920943596 SKYBCFYBPOVYDQ-UHFFFAOYSA-N 255.317 3.768 30 20 CHED C[C@H]1C[C@@H](C)CN(CCCCN[C@H](C)CC(C)(C)C#N)C1 924687556 WDTWTMHDGRTHCM-IXDOHACOSA-N 293.499 3.662 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1cccc(C)n1 934893123 LUYUBIISRONBPI-GDBMZVCRSA-N 272.392 3.656 30 20 CHED C[C@@H]1CCC[C@@H](c2nnc(COc3ccc(C#N)cc3)o2)C1 1117173280 GXITWODZQABZJC-TZMCWYRMSA-N 297.358 3.814 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1csc(C#N)c1 1117798345 QWDCJJSOHWGYNK-RISCZKNCSA-N 276.405 3.661 30 20 CHED COc1ccc2cc(C(=O)O[C@H](C#N)C(C)(C)C)ccc2c1 1122720455 IUZYJMYRBYJBHX-MRXNPFEDSA-N 297.354 3.943 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)C[C@@H]1C=CCCC1 1123062528 SHQSHJGMHGPIFN-JKSUJKDBSA-N 283.371 3.501 30 20 CHED Cc1ccc(CCNc2cccc(C#N)c2C)cc1 1180788430 XKYLDENZOHJBJX-UHFFFAOYSA-N 250.345 3.830 30 20 CHED Cc1ccc(C)c(NC(=O)Nc2cc(F)cc(C#N)c2)c1 1202767763 LEIMUGRJDSRUST-UHFFFAOYSA-N 283.306 3.958 30 20 CHED C[C@@H](NN=Cc1ccc2c(c1)CCC2)c1ccccc1 1318776419 IWXKHKKESLTHLC-CQSZACIVSA-N 264.372 3.860 30 20 CHED CC(C)c1ccc(OCCNc2cccc(CC#N)n2)cc1 1321329228 SOLAIYLXXJABIB-UHFFFAOYSA-N 295.386 3.762 30 20 CHED Cc1ccc([C@H](NC(=O)c2csc(C#N)c2)C2CC2)cc1 1325105110 XHSAVIWDSBFNPO-INIZCTEOSA-N 296.395 3.809 30 20 CHED C=C[C@H](COC)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 1325239933 POOGYWWCYWROJQ-IMJJTQAJSA-N 279.811 3.767 30 20 CHED C#CCN(CC1CC1)C(=O)Nc1cc(Cl)ccc1C 1325879240 HJEHLWHDMXELJV-UHFFFAOYSA-N 276.767 3.526 30 20 CHED CC[C@@H](CON=Cc1ccc(C(=O)OC)cc1)CC(F)F 1327676018 XLWQBOVISCACKT-LLVKDONJSA-N 299.317 3.505 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)OCc1ccc(C#N)s1 1327723240 YTWRVIGPZHLHJQ-GFCCVEGCSA-N 295.404 3.504 30 20 CHED C=CCn1c(-c2ccco2)nnc1N(C)c1ccc(C)cc1 1338122389 JIQMDKQLMQNVQS-UHFFFAOYSA-N 294.358 3.800 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cncc(C(F)(F)F)c1 1339280478 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CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1517045588 FGLPGYRHNKLSGF-ZJIFWQFVSA-N 299.418 3.686 30 20 CHED CCCCC1CCC(CNC(=O)c2cc(C#N)ccn2)CC1 1528192576 HSDPASHUHRFAMG-UHFFFAOYSA-N 299.418 3.680 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(CF)cc2)s1 1534646206 IMUICVAQBJCOAF-UHFFFAOYSA-N 288.347 3.904 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(F)c(C#N)c2)c1 1537427584 XYNDSPSDVUKKKG-CYBMUJFWSA-N 296.345 3.805 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1559087319 IBBWTRNMZYTDGZ-UHDSXZAQSA-N 277.371 3.667 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2ccc(C(=O)O)cc2)CCC1 1588767377 YHBNSFQGIIWQPQ-LBPRGKRZSA-N 288.343 3.735 30 20 CHED C=CCC[C@H](C)OC(=O)c1cc(C(=O)O)ccc1Cl 1609324687 KLZAWZNDYYRFCY-VIFPVBQESA-N 282.723 3.550 30 20 CHED Cc1cc(N[C@@H](Cc2ccccc2)C(C)C)ncc1C#N 1612899177 KYQXRUZHJPJOQM-KRWDZBQOSA-N 279.387 3.941 30 20 CHED Cc1cnc(CNc2c(C#N)cnc3c(Cl)cccc23)o1 1639531011 UASSDGNWFKCNHO-UHFFFAOYSA-N 298.733 3.668 30 20 CHED N#Cc1cc(N2CC[C@@H]2c2ccc(Cl)cc2)ccn1 1639893886 DFBSLAUUZONREQ-OAHLLOKOSA-N 269.735 3.558 30 20 CHED COc1ccc(CNC[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C#N 1651016646 RNQVGPMMNRBCJN-DZKIICNBSA-N 286.419 3.729 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1F)c1ccccc1Cl 1651817276 DXGYHLRQZUDKIJ-SECBINFHSA-N 275.714 3.919 30 20 CHED N#Cc1ccc2c(c1)CCCN2CCCc1ccccc1 1653730973 ZCLIROVMDJAEHA-UHFFFAOYSA-N 276.383 3.944 30 20 CHED CC(C)CCCn1c(C(C)C)nnc1N(C)[C@@H](C)CC#N 1741503283 WMGHFVSUHINKEG-AWEZNQCLSA-N 291.443 3.576 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(Cc2cccc3ccccc23)C1 1776162212 GVUSBGMPGKYIJZ-LJQANCHMSA-N 295.382 3.693 30 20 CHED CC(C)(C#N)c1ccc(/C=C/c2ncc(C(=O)O)s2)cc1 1776230800 HYJLXNHPNTVUPH-VMPITWQZSA-N 298.367 3.813 30 20 CHED O=C1/C(=C\c2c(F)cccc2Cl)Oc2cc(O)ccc21 541807 CYXLDICAQDGQHC-VGOFMYFVSA-N 290.677 3.801 30 20 CHED COc1cc(C#N)ccc1OCCOc1ccc(C)c(C)c1 11862770 LDJQAVWFHGYRFB-UHFFFAOYSA-N 297.354 3.642 30 20 CHED Cc1nnc(Oc2ccc(F)cc2Cl)c(C#N)c1C 24052704 DRIZMRZFFRCDOO-UHFFFAOYSA-N 277.686 3.550 30 20 CHED CC(C)c1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1 25100165 OGIXPGHXPOLMPN-UHFFFAOYSA-N 292.382 3.954 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)C1(C)C 32617859 RPLSNDLOPOIEOG-IAGOWNOFSA-N 296.414 3.755 30 20 CHED C[C@H]1CCC[C@@H](N(C)CCCOc2ccc(C#N)cc2)C1 48068977 CXOQJLSSMLBFBE-DOTOQJQBSA-N 286.419 3.838 30 20 CHED COc1ccc(CN[C@H](C)C(C)C)cc1OCCCC#N 64613690 AUYJFVBPHLYSHH-CQSZACIVSA-N 290.407 3.512 30 20 CHED CC(C)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 66394753 GFVQOQWBDHTLKZ-LLVKDONJSA-N 285.174 3.720 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1nccs1 69913857 PTMQTSPOPADDCE-UHFFFAOYSA-N 279.409 3.743 30 20 CHED C=CCCOc1ccc(Br)cc1C(C)=O 70592599 AMXUIASBPINBOX-UHFFFAOYSA-N 269.138 3.607 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc(C)s1 71794989 UDDLEIZKHZTONR-CMDGGOBGSA-N 258.342 3.961 30 20 CHED N#Cc1cccc(CNCCCCOc2ccccc2)c1 75756324 QPQUJKOBXSBYTL-UHFFFAOYSA-N 280.371 3.507 30 20 CHED Cc1cccc([C@H]2CCCN2c2ccc(C#N)cn2)c1C 78307675 JXFOTSMDQVXXDT-QGZVFWFLSA-N 277.371 3.912 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@@H](CC)c1ccccc1 78320140 ACRBARRRQKLNSP-OAHLLOKOSA-N 274.408 3.788 30 20 CHED CC[C@H]1CCCN(CCCOc2ccc(C#N)cc2)CC1 79054481 DYKUXWDRKFPKCK-INIZCTEOSA-N 286.419 3.839 30 20 CHED CC(C)[C@@H](C)SCC(=O)Nc1ccc(C#N)c(Cl)c1 79078644 NTHOSWKHCWJJLD-SNVBAGLBSA-N 296.823 3.928 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc(F)c2)s1 79263022 ZJXKYBDUPXAAKJ-UHFFFAOYSA-N 274.320 3.574 30 20 CHED C[C@H](NC(=O)c1cccc2[nH]ccc12)c1ccc(C#N)cc1 79720686 NKZULCHGBMVSTL-LBPRGKRZSA-N 289.338 3.531 30 20 CHED N#C[C@H](NC(=O)CC1CCC1)c1ccc(Cl)c(Cl)c1 80176668 SMDSWWQWWDCVFK-ZDUSSCGKSA-N 297.185 3.864 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 84710991 MWCRADCHEPOEDQ-ZWNOBZJWSA-N 299.292 3.729 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2ccccc2)cc1 84712112 KGBOLTZTAQEPBJ-INIZCTEOSA-N 265.312 3.813 30 20 CHED CC(C)Nc1ccccc1Oc1ncccc1C#N 88524193 RCDUOSMINFPNGL-UHFFFAOYSA-N 253.305 3.566 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 90000516 RTDDZGNUQUIUCR-CYBMUJFWSA-N 294.329 3.996 30 20 CHED C#CCCCCN[C@H]1CCCOc2cc(C)ccc21 90398780 RIWGAIYCLVYLQX-INIZCTEOSA-N 257.377 3.602 30 20 CHED C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccsc1 94591919 IWXMYZDTCPEGHU-SECBINFHSA-N 273.317 3.701 30 20 CHED CCN(CCC#N)C(=O)C[C@H](c1ccccc1)C(C)C 103210034 YMPPAAPGQPWWSN-INIZCTEOSA-N 272.392 3.578 30 20 CHED CN(C(=O)c1cccc(OC2CCCC2)c1)C1(C#N)CCC1 108786310 FPWPWGKHHPACKC-UHFFFAOYSA-N 298.386 3.526 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(OCC)c(F)c2)CC1 111732195 ZTGXYUXBAHTXAK-UHFFFAOYSA-N 292.354 3.654 30 20 CHED CCCCCCCCCC(=O)N1CCC([C@@H](C)N)CC1 115859311 CRFFJDWOPGYETD-OAHLLOKOSA-N 282.472 3.713 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)s2)on1 116852058 RSIWVJJQMFTTRW-QMMMGPOBSA-N 296.779 3.751 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)cc1 117001407 AJGPDEOYXBFZIP-GFCCVEGCSA-N 262.353 3.560 30 20 CHED C=C[C@H](CC(=O)Nc1cccc(C#N)c1)c1ccccc1 122171194 BQTZWLNGTMGKDQ-OAHLLOKOSA-N 276.339 3.857 30 20 CHED CN(Cc1cccc(F)c1)Cc1cn2ccccc2c1C#N 122314816 LZPNWMVSOCKUTQ-UHFFFAOYSA-N 293.345 3.582 30 20 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N#C[C@H]1CCC[C@@H](NC2(Cc3ccc(F)cc3)CC2)C1 453333191 BEJXTNBPWRPLOT-GOEBONIOSA-N 272.367 3.573 30 20 CHED C=CCC1(CN[C@@H](C)c2cncs2)CCCC1 453347203 FDTUOGPLRKCCEX-LBPRGKRZSA-N 250.411 3.930 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2oc(C3CC3)nc2c1 454428857 REOURPLSPIMRLD-UHFFFAOYSA-N 285.347 3.793 30 20 CHED CC#CCN(C)C(=O)Nc1cc(Cl)c(C)cc1Cl 455014937 SMXRASFEDJPLCG-UHFFFAOYSA-N 285.174 3.789 30 20 CHED C=CCCN(C)C(=O)N[C@H](CCC)C1CCCC1 459319542 PHCFYWDKHZIDGP-CQSZACIVSA-N 252.402 3.563 30 20 CHED CC(C)(CC#N)CNC/C=C\c1ccc(F)cc1F 459728928 JOSXFEQUFSVONJ-ARJAWSKDSA-N 264.319 3.507 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@H](C)[C@H]1CC 460956892 JHCFZKAZKSFZLY-LSDHHAIUSA-N 290.455 3.678 30 20 CHED Cc1ccc(CNc2nc(C)c(C#N)cc2Cl)cc1F 461735176 VPLWJAGRXBIRAK-UHFFFAOYSA-N 289.741 3.975 30 20 CHED COc1ccc(C)cc1NC(=O)[C@H](C)c1cccc(C#N)c1 461740869 BOFQQHUQAKFPCM-CYBMUJFWSA-N 294.354 3.618 30 20 CHED CCCC[C@H](CC)CNC(=O)[C@H](C)c1cccc(C#N)c1 461895507 AULIKSJPHLVKEA-CABCVRRESA-N 286.419 3.994 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2[nH]c(C)cc2c1 466379296 XFKSKEVOMVGFKW-CYBMUJFWSA-N 271.364 3.953 30 20 CHED C=CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 467062161 YEVYVEXETIVOEO-ZWKOTPCHSA-N 279.383 3.978 30 20 CHED CCC1(CNC(=O)Nc2cccc(C#N)c2)CCCC1 471602808 PVXZOSCMZNMWED-UHFFFAOYSA-N 271.364 3.650 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CCc2ccccc2C1 474088416 KLGACCOJFRCYKK-KRWDZBQOSA-N 286.419 3.542 30 20 CHED C=C(C)CN(CC)C(=O)CS[C@H](CC)CCC 477045402 QDVMMTHGVYZNOF-CYBMUJFWSA-N 257.443 3.723 30 20 CHED C=CCCCC(=O)NCC1(N2CCCCC2)CCCCC1 479502998 NTABYOBSYIBABL-UHFFFAOYSA-N 292.467 3.648 30 20 CHED COc1cc(NCCOc2cccc(C#N)c2)c(C)cc1C 480312643 ZXLTZUBTFVXYEZ-UHFFFAOYSA-N 296.370 3.675 30 20 CHED CC#CCN1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 480759859 VXYIHNCCPAMWBM-MRXNPFEDSA-N 299.805 3.890 30 20 CHED CC(C)(C)CC[C@H](CO)Nc1ccc(C#N)c(Cl)c1 481063014 UHEFADTZIVCYGS-CYBMUJFWSA-N 280.799 3.811 30 20 CHED C=CCC[C@H](O)CN1CC=C(c2cccc(Cl)c2)CC1 481774029 DQWPZBKXAZMDDC-KRWDZBQOSA-N 291.822 3.756 30 20 CHED Cc1cc(C)c2cc(CN(C[C@H](C)C#N)C3CC3)[nH]c2c1 481989542 IYLMDIDSPKCKBM-CYBMUJFWSA-N 281.403 3.909 30 20 CHED CCN(C[C@H](O)CCC(C)C)[C@@H](C)c1ccc(C#N)cc1 482673313 RABXSCKGHLVFPK-MAUKXSAKSA-N 288.435 3.738 30 20 CHED C=CCN(CCOC)[C@H](C)c1ccccc1Br 484674281 BQWKTICNXWEBHD-GFCCVEGCSA-N 298.224 3.645 30 20 CHED C=CCCCCNC(=O)NCc1ccc(Cl)cc1F 488529900 CMSLYNQPTZIRQL-UHFFFAOYSA-N 284.762 3.635 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1N1CCCC1 488573573 OVBSMJMKURBVTK-UHFFFAOYSA-N 295.386 3.527 30 20 CHED N#Cc1ccnc(SCc2cc3ccccc3o2)c1 488727230 GPTDCQYLXUPYQI-UHFFFAOYSA-N 266.325 3.992 30 20 CHED C=CCC[C@H](C(=O)N(C)[C@@H]1CC1(C)C)c1ccccc1 489360981 SNEZLOWMOUPDEJ-JKSUJKDBSA-N 271.404 3.993 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(CC)c1CC 489632122 VMTBYIYRIORAOB-SFHVURJKSA-N 289.419 3.979 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C)c1ccon1)c1ccccc1 490157380 HIDFJEDGKDJFFQ-HIFRSBDPSA-N 284.359 3.602 30 20 CHED N#Cc1ccsc1C(=O)NCCCC1CCCCC1 497993858 NCHFPLVEDUIMHO-UHFFFAOYSA-N 276.405 3.710 30 20 CHED CC[C@@H](CC(=O)N(CCC#N)CCC(C)C)C(C)C 519142423 NMUXZATVIPWETD-HNNXBMFYSA-N 266.429 3.847 30 20 CHED C=CCCCCCN(C)Cc1cc([N+](=O)[O-])ccc1OC 523558060 NWUSCHOKQMHMNI-UHFFFAOYSA-N 292.379 3.782 30 20 CHED CN(CCNc1ccc(C#N)c(Cl)c1)c1ccccc1 524601479 NSEQTVBUQCCCLW-UHFFFAOYSA-N 285.778 3.760 30 20 CHED CN(CCCSCC#N)[C@@H]1CCCc2ccccc21 525308432 OKQKFQGESUDSLQ-MRXNPFEDSA-N 274.433 3.643 30 20 CHED CCC[C@@H](C#N)NC(=O)CC(C)(C)C1CCCCC1 527239970 VDFSEBRCLZWNND-AWEZNQCLSA-N 264.413 3.791 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H](C)c1ccco1 529509318 YAEKMWUZORSUGL-KGLIPLIRSA-N 296.370 3.864 30 20 CHED N#Cc1ccc(C(=O)N(CC2CC2)C2CCC2)cc1Cl 530318586 QJAWUAMTCYEFGO-UHFFFAOYSA-N 288.778 3.616 30 20 CHED C=CCC(CC=C)C(=O)NC1(c2ccccc2)CCOCC1 532325446 AYGKXPQUMUGXMW-UHFFFAOYSA-N 299.414 3.577 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)[C@H](C)C2CCCCC2)C1 532334964 QTTHMKZAMBANEP-YRTQGLMCSA-N 276.424 3.647 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H]2CCCC[C@@H]12 536152802 VZPLLLQWSXXCPT-FHLIZLRMSA-N 296.414 3.793 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(OCc2cccnc2)cc1 537022513 OIRZYQIRJKGASZ-HNNXBMFYSA-N 282.387 3.887 30 20 CHED C=CCN(C(=O)C[C@@H](CC)c1ccccc1)C1CC1 537933982 SZOHRHPWEIGNTC-CQSZACIVSA-N 257.377 3.747 30 20 CHED C[C@H](NCCc1ccccc1)c1ccc(C#N)c(F)c1 538503054 XRIDTEXCKSXTOY-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED CS[C@@H](CNc1cccc(F)c1C#N)C(C)(C)C 541275933 FRRVYSVEUIWTPB-ZDUSSCGKSA-N 266.385 3.887 30 20 CHED CC#CCCNC(=O)c1occc1CSc1ccccc1 542672790 AWJLXWXWFQEQPD-UHFFFAOYSA-N 299.395 3.715 30 20 CHED C/C=C/c1ccc(NC(=O)c2ncc(C#N)cc2C)cc1 552170677 QRAQWBGRTBCLOO-ONEGZZNKSA-N 277.327 3.547 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)NCC#Cc1cccc(F)c1 558714312 XQBZRQWCKFDIHZ-GOEBONIOSA-N 287.378 3.510 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NCc1ccc(C#N)cn1 562036144 HJXSRGUBIXHEJH-ZIAGYGMSSA-N 271.408 3.648 30 20 CHED C=CCC[C@H](CCC)NC[C@@]1(CO)C[C@@H]1c1ccccc1 562102919 IELTXMOTRZPKIA-IPMKNSEASA-N 287.447 3.877 30 20 CHED CC(C)[C@H](CNc1cccnc1C#N)Nc1ccccc1 566041982 JSACALWDRNHWND-KRWDZBQOSA-N 280.375 3.502 30 20 CHED C[C@@H]1CN(c2nccc(C#N)c2Cl)[C@H]2CCCC[C@H]12 570554236 LLQXZVKWOYVZRC-RTXFEEFZSA-N 275.783 3.622 30 20 CHED N#Cc1cc(F)cc(OCc2ccc(OC(F)F)cc2)c1 570960919 AVJOBQVWNYPNRD-UHFFFAOYSA-N 293.244 3.878 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1ccc(CC#N)cc1 571124141 OXRDWBLQWYOIOC-HALDLXJZSA-N 256.393 3.667 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 573602858 STLTZOKZEHDRFN-XJKCOSOUSA-N 264.413 3.599 30 20 CHED C=CCCCSCC(=O)NCCc1ccc(Cl)cc1 573838639 YRRADTOCJUZEAW-UHFFFAOYSA-N 297.851 3.698 30 20 CHED C[C@H](CCC#N)Sc1nnc(-c2ccc(F)cc2)o1 574499754 VTPBMRXXXGGZSR-SECBINFHSA-N 277.324 3.660 30 20 CHED Cn1ncc2ccc(CNc3cc(Cl)ccc3C#N)cc21 578185407 ZQOGIGSNWFRPBJ-UHFFFAOYSA-N 296.761 3.710 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 581504773 IATWENWOVBMLTA-LZLYRXPVSA-N 284.403 3.769 30 20 CHED C[C@@H]1CCC[C@@H]1CN[C@@H]1CCc2ccc(C#N)cc21 582032341 DLJCMYLYUADWTN-SRCQZFHVSA-N 254.377 3.571 30 20 CHED C=CCC[C@H](CCC)NCC1(SC)CCN(C)CC1 582575958 OFZMUVONYKKOCK-HNNXBMFYSA-N 284.513 3.538 30 20 CHED C=CCCC(=O)NCc1cccc(COCc2ccco2)c1 588084480 WBLWCXKESFPTSN-UHFFFAOYSA-N 299.370 3.579 30 20 CHED C[C@@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)c2nccn21 590723730 OLSIGKVJICXJTP-YPMHNXCESA-N 295.390 3.565 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccc2c(c1)CCCCC2 593271452 BVUTUEUJRHZAOT-CYBMUJFWSA-N 285.391 3.721 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H]1c1ccccc1Cl 593412608 LOPZYSBBTKEMCW-BXUZGUMPSA-N 276.767 3.553 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCC(C)(C)C 594055948 QIIZBNJRYLCKSO-AWEZNQCLSA-N 286.419 3.631 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(OCCC(C)C)cc1F 594419108 UIKFWVAPZXLFSW-GFCCVEGCSA-N 292.354 3.739 30 20 CHED N#CCC[C@@H](C#N)CNCc1ccc(-c2cccs2)cc1 594710485 IPUWEUYAWJPYFS-HNNXBMFYSA-N 295.411 3.948 30 20 CHED CCN(CCc1ccc2ccccc2c1)[C@@H](C)C#N 595812832 ITEHWOQVMRCXHG-AWEZNQCLSA-N 252.361 3.616 30 20 CHED CCSC1(CNc2nc3c(cc2C#N)CCCC3)CC1 596512303 CTRVBDLIAVACBA-UHFFFAOYSA-N 287.432 3.530 30 20 CHED CC[C@H](NC[C@@H](C#N)CCC#N)c1cc(C)ccc1C 599639819 CPOBRQMRKUPETI-WBVHZDCISA-N 269.392 3.788 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1CCC=CCC1 602124289 MGMGVHKCABCYBX-UHFFFAOYSA-N 254.333 3.552 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H]1Cc1ccc(F)cc1 602449447 MNVMIFCSDJKOEV-RHSMWYFYSA-N 274.383 3.772 30 20 CHED CSc1ccccc1CN(C)CC1(CC#N)CC1 602822612 VZKRAOSFTGFIKC-UHFFFAOYSA-N 260.406 3.534 30 20 CHED CCN(CCOc1ccc(C#N)cc1)CCc1ccccc1 603852263 NHWUDDPSYAUSRJ-UHFFFAOYSA-N 294.398 3.502 30 20 CHED C[C@H]1C[C@@H](C)CN(CCCCNc2ccc(C#N)cc2)C1 603860524 JTCGMHCKHLFZMP-IYBDPMFKSA-N 285.435 3.728 30 20 CHED CC(C)Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 608822667 HCLINFHTMWEJIJ-MRXNPFEDSA-N 272.392 3.553 30 20 CHED Cc1cc(C)c(C#N)c(N(C)C[C@@H](C)c2ccccc2)n1 608973628 BIYLNESCHPXNCK-CQSZACIVSA-N 279.387 3.810 30 20 CHED C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 610356836 AUMZXIAZGBMATF-IJEWVQPXSA-N 299.418 3.745 30 20 CHED CCCc1noc(CSc2ccc(Cl)cc2C#N)n1 610654775 CPTHQSRTUODBAC-UHFFFAOYSA-N 293.779 3.839 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(C#N)c1 611465810 UYVHTSWDGZSHRL-QWHCGFSZSA-N 293.345 3.981 30 20 CHED C=CCOCCNC(=O)[C@@H](CCC)c1ccc(Cl)cc1 613365127 UJZGETUKTXIRKE-HNNXBMFYSA-N 295.810 3.543 30 20 CHED Cc1cccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 618667398 AQCXEALFBPZSMV-QGZVFWFLSA-N 291.354 3.676 30 20 CHED CCSCc1ccccc1C(=O)N[C@H](C#N)CC(C)C 619221706 KWEKKKKSJFXCDA-AWEZNQCLSA-N 290.432 3.608 30 20 CHED C=C(C)[C@H](Cc1nc(C2C(C)(C)C2(C)C)no1)OCC 624745711 MPGLMXMWLMEBEG-NSHDSACASA-N 278.396 3.743 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)CC)cc1 626736818 LUQKYIRDIQUKBO-UHFFFAOYSA-N 274.364 3.709 30 20 CHED C=CCCCC[C@H](C)N[C@@H](c1cnn(C)c1)C(F)(F)F 628273657 CFANCFKBBOYCAF-AAEUAGOBSA-N 289.345 3.748 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cncnc1C 655777393 UNYUNECXUYCXIT-WBVHZDCISA-N 281.403 3.623 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC1(CCO)CCCC1 657894602 AIEIUZKCPGZTRC-HZPDHXFCSA-N 265.441 3.654 30 20 CHED C[C@@H](CCOCc1ccccc1)N[C@H](C)CC(C)(C)C#N 695864684 NSMOVOBRGCSBNY-JKSUJKDBSA-N 288.435 3.900 30 20 CHED C#CCCCCC(=O)N(CC)Cc1ccc(C)cc1 699423512 USAIVKBYIWYJEC-UHFFFAOYSA-N 257.377 3.537 30 20 CHED CCCC[C@@H]1CCCC1=NNc1nc(-c2ccncc2)no1 727257056 CWABLMPETXVPKV-GFCCVEGCSA-N 299.378 3.890 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)c(OC)c1 728231963 OWAAPZSXQKKEGE-UITAMQMPSA-N 298.338 3.614 30 20 CHED C=CCCOC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 729072446 KDOZESHRZFAEHO-RBSFLKMASA-N 268.397 3.583 30 20 CHED CC(=NNCCCc1ccccc1)c1ccccc1F 729147730 GBQBNAQXLFBYJH-UHFFFAOYSA-N 270.351 3.772 30 20 CHED CON=C1c2cc(Br)ccc2SC[C@@H]1C 729932451 LINOPUUATSZFMP-ZETCQYMHSA-N 286.194 3.541 30 20 CHED C#Cc1cccc(NC(=O)/C=C\C2CCCCC2)c1 735426303 VZUIGCMMUONBIF-QXMHVHEDSA-N 253.345 3.743 30 20 CHED CCCCCC(=NNc1cccnn1)c1ccccc1 735974716 MMVWIJRVZLMRDH-UHFFFAOYSA-N 268.364 3.873 30 20 CHED C=C(Cl)CNC(=O)N[C@H](c1ccccc1C)C(C)C 736397925 LJZBAMWDGWFALE-AWEZNQCLSA-N 280.799 3.744 30 20 CHED C=CCN(C(=O)CCc1ccc(OCCC)cc1)C(C)C 742639368 YEQIGZGPRCGDKM-UHFFFAOYSA-N 289.419 3.831 30 20 CHED C#CCNC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 742710148 NJGZCDNIEYHZAY-AWEZNQCLSA-N 292.810 3.750 30 20 CHED Cc1ncsc1C=NNc1cccc(C(F)(F)F)c1 743421107 YRIPPYDHDMVVPH-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CCCC[C@@H](CC)CC(=O)OCC1(CC#N)CC1 744279637 WZZZJZDPJLTDGR-CYBMUJFWSA-N 251.370 3.830 30 20 CHED C=C(C)CCOC(=O)Cc1ccc2c(c1)CCCC2 744303338 WBORDFUZQUWUKO-UHFFFAOYSA-N 258.361 3.617 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Oc1cc(C)ccc1Cl 744303809 XOPMBZUKONFJER-LBPRGKRZSA-N 282.767 3.925 30 20 CHED CCC(=NNc1ccc2ccccc2n1)C1CCOCC1 745193000 ZJZALXWDKBQZJO-UHFFFAOYSA-N 283.375 3.839 30 20 CHED N#Cc1cc(F)ccc1CONC(=N)C1CCCCCC1 746564529 JFXAKHHXRRQPKB-UHFFFAOYSA-N 289.354 3.666 30 20 CHED COCC(=NOCc1ccc(C(F)(F)F)cc1)C(C)C 746576361 MWWFGNLYHNGFRZ-UHFFFAOYSA-N 289.297 3.880 30 20 CHED CC(C)[C@H]1CCCC1=NNc1cccc(C(=O)O)c1 747735755 KCUZEFVEZXUTIO-CYBMUJFWSA-N 260.337 3.609 30 20 CHED CCC(C)(C)CC(=O)O[C@@H](C)c1ccc(C#N)cc1 748678035 XYZVLUQWDKOKEO-LBPRGKRZSA-N 259.349 3.989 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 748994696 RUSUYAKQTHKBCR-XQRVVYSFSA-N 288.690 3.539 30 20 CHED C/C=C(\C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 751363156 GFUWJYBLNZNELG-WLRTZDKTSA-N 256.349 3.513 30 20 CHED CCCCC[C@@H](/N=C\c1cc(Cl)ccc1O)C(=O)OC 751889473 BUGOWFYVRDDYCH-OMJMQIJPSA-N 297.782 3.586 30 20 CHED CCCCCCCCOCC(=O)N1CC[C@@H](C)[C@H]1C 752391905 WQMBTJIQYUVIGK-HUUCEWRRSA-N 269.429 3.620 30 20 CHED O=C(C=C1CCC1)N1CCCSC1=Nc1ccccc1 755086329 GSCBICXDUYYESS-UHFFFAOYSA-N 286.400 3.750 30 20 CHED CCCCCCCCNC(=O)/C=C/c1cccnc1 755148468 XPJHCHIQGINCHQ-ZHACJKMWSA-N 260.381 3.572 30 20 CHED Cc1csc(C=NNc2cccc(C(F)(F)F)c2)n1 755466581 HXBIOGAUCOEPEE-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CCCCCC[C@H](C)NN=Cc1c(CC)nn(C)c1CC 755755162 XWLDQXVDEXEWHT-AWEZNQCLSA-N 292.471 3.827 30 20 CHED C(=NNc1ncnc2ccsc12)[C@@H]1CCc2ccccc21 755798312 SLYAMZRRPUFLFG-LBPRGKRZSA-N 294.383 3.819 30 20 CHED C(=NO[C@H]1CCCCO1)c1ccc2ccccc2c1 755818615 SRPZWXMTDIFBFP-INIZCTEOSA-N 255.317 3.717 30 20 CHED C=C[C@H](C)NC(=S)Nc1cc(Cl)cc(Cl)c1 756795218 HXUXVOCZUGSEHD-ZETCQYMHSA-N 275.204 3.854 30 20 CHED C#CC[C@H](NCc1ccc(OCC)cc1O)c1ccccc1 756995416 HUIKZSHYLBXYQX-SFHVURJKSA-N 295.382 3.645 30 20 CHED C=C[C@@H](C)NC(=O)/C=C/c1cccc(OC2CCCC2)c1 757003263 AKQIOGHKRFGPRM-GCZGRYASSA-N 285.387 3.712 30 20 CHED O=C(/C=C\c1cccc(F)c1)c1cc(F)ccc1O 757468651 UORYXVWCBQTGEC-XQRVVYSFSA-N 260.239 3.567 30 20 CHED Oc1nc(NN=C2CCCCCCC2)nc2ccccc12 757585532 MCUKYOABRHYCRG-UHFFFAOYSA-N 284.363 3.848 30 20 CHED Brc1cncc(NN=C[C@@H]2CC=CCC2)c1 758122478 LQLCIVLVACDPSZ-SNVBAGLBSA-N 280.169 3.598 30 20 CHED COc1ccsc1/C=C1/CCc2ccccc2C1=O 764432425 ARBPUJJKRORLKV-BENRWUELSA-N 270.353 3.969 30 20 CHED Cc1cc(OC(=O)c2cccc3cnccc23)ccc1C#N 765096361 WMQHHIFPWRLXKG-UHFFFAOYSA-N 288.306 3.634 30 20 CHED CC1(c2ccccc2)CCC(=NNCC(F)F)CC1 766703621 GOTLZCRXZFWQBB-UHFFFAOYSA-N 266.335 3.729 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc(OC(C)(C)C)cc1 767067097 JTQCCXYCHMGNNW-UHFFFAOYSA-N 287.403 3.530 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc(OCCCC)cc1Cl 767253176 MMAQMMYLZHTHNA-LBPRGKRZSA-N 293.794 3.613 30 20 CHED Cc1c(O)cccc1C(=O)OCCCCC(C)(C)C#N 768819049 LUISCUZYCUCHIW-UHFFFAOYSA-N 275.348 3.578 30 20 CHED Cn1cc(C=NNc2cccc(Cl)c2)c(C(C)(C)C)n1 769566776 HSJLCLAXESWISF-UHFFFAOYSA-N 290.798 3.817 30 20 CHED COc1ccsc1C(=O)/C=C\c1cccc(C)c1 769744072 GHAQDDAPARDYTO-SREVYHEPSA-N 258.342 3.961 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2cccc(Cl)c2)ccc1F 769821802 DCNIGQBGTNPKKP-UHFFFAOYSA-N 293.685 3.833 30 20 CHED COC1CCC(=NNc2c(F)cccc2Cl)CC1 769826797 JHMWUFUUPODGFD-UHFFFAOYSA-N 270.735 3.836 30 20 CHED C#CCCCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 772116176 ULAKVDQJOCWMJP-UHFFFAOYSA-N 287.447 3.903 30 20 CHED C=C(CC)COC(=O)CCSc1ccccc1 773427707 CZWBLQHLCPOPEC-UHFFFAOYSA-N 250.363 3.678 30 20 CHED C#CCOc1ccccc1NC(=S)Nc1ccc(C)cc1 774265054 GYHGFCKWVBXERH-UHFFFAOYSA-N 296.395 3.816 30 20 CHED C#C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 775571467 HMPRFNRZRFFNBV-LKTVYLICSA-N 298.213 3.825 30 20 CHED CCOc1cccc([C@@H]2C[C@@H]2/N=C\c2ccccc2O)c1 775630997 OSGQDBWMVGOPPW-QCHSQVKSSA-N 281.355 3.766 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H](C)c1ccsc1 775940326 FKORZNIYEPNHQC-LBPRGKRZSA-N 285.368 3.502 30 20 CHED Cc1cccc(-c2n[nH]cc2/C=C\C(=O)c2cscn2)c1 776193005 VEAGDWQSQBZQIG-WAYWQWQTSA-N 295.367 3.738 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)Cc1ccccc1CC#N 776939982 VSDIFIDVPPRXIJ-AWEZNQCLSA-N 286.419 3.626 30 20 CHED CC(=NNc1ccc(F)cc1)C1CCSCC1 777422505 ZZIQXOIBKFBEMH-UHFFFAOYSA-N 252.358 3.757 30 20 CHED COc1ccc(C#N)cc1NCc1cccc(Cl)c1O 779589314 DUFXIXXAXVGJMK-UHFFFAOYSA-N 288.734 3.538 30 20 CHED COc1cccc(NN=C(C)CCc2ccccc2F)n1 779816496 BVZHIZFLZDCVOZ-UHFFFAOYSA-N 287.338 3.650 30 20 CHED Cc1ccnc(Cl)c1OCC#Cc1ccc(F)cc1 779817974 VXOPFRCQUCAELR-UHFFFAOYSA-N 275.710 3.613 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](C)CN(C)c2ccccc21 779966498 GAYRZTFLDUWFBB-INIZCTEOSA-N 298.430 3.689 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)[C@H]1CCCC[C@H]1C 781924611 OVISGEVHRXRCMO-QAPCUYQASA-N 286.419 3.990 30 20 CHED COc1cc(C(C)=NNc2cccc(Cl)c2)ccn1 782120670 YGZMEUUEFOINAK-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CCc1ccc(CC(=O)OCCCC(C)(C)C#N)cc1 783839566 USFLBOAGFDNMLC-UHFFFAOYSA-N 273.376 3.665 30 20 CHED C=CCCCCCOC(=O)[C@@H](C)c1ccc(C)o1 783941087 USBYTLDBAODTDT-ZDUSSCGKSA-N 250.338 3.981 30 20 CHED COc1cc(C=NNC2CCCCC2)cc(Cl)c1OC 786043114 JBAAELCPUVQDIS-UHFFFAOYSA-N 296.798 3.613 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)N1CC[C@](F)(C#N)C1 786232923 JMURAHQOSPJUGZ-CVEARBPZSA-N 282.403 3.837 30 20 CHED CC(C)CC[C@H]1CCCC1=NOC[C@H]1CCOC1 788034682 UCPNDNZUHBXQCV-UONOGXRCSA-N 253.386 3.632 30 20 CHED CCc1cccc(Cl)c1C=NNc1nc(C)cc(C)n1 788692587 FDPMETFXYBNFID-UHFFFAOYSA-N 288.782 3.755 30 20 CHED C[C@H](C=NNCC(F)F)c1ccc(C(F)(F)F)cc1 789021186 SAEOCNZXFMHWOD-MRVPVSSYSA-N 280.240 3.649 30 20 CHED O=C1CCCN1N=CCCc1c(Cl)cccc1Cl 790169934 CYLYVONCJCTNEO-UHFFFAOYSA-N 285.174 3.534 30 20 CHED C=C[C@H](CC(=O)Nc1n[nH]c(C)c1Cl)c1ccccc1 790994700 MJXIQJMPRTWLQS-LLVKDONJSA-N 289.766 3.670 30 20 CHED C#C[C@@H](CCC)NC(=O)CSc1ccc2ccccc2c1 791200815 FDRXHLZOVHOTQN-INIZCTEOSA-N 297.423 3.850 30 20 CHED CCC(=NOCCSC)c1ccc(CC)cc1 794572228 MGCVYHYDBDYWOZ-UHFFFAOYSA-N 251.395 3.743 30 20 CHED CCCOc1ccc(C=NOCCSC)cc1OCC 794574759 OLJNKLANWMIAQO-UHFFFAOYSA-N 297.420 3.588 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccc(-c2ccccc2)o1 794703784 XMJAOUIVZFTPBE-HJWRWDBZSA-N 292.338 3.885 30 20 CHED Cc1cnn(C)c1/C=C1/Oc2c(cccc2C(C)(C)C)C1=O 794708595 SPDDKUFAEATHSB-OQLLNIDSSA-N 296.370 3.642 30 20 CHED CC(C)(C)[C@H]1CCCN(c2snc(Cl)c2C#N)C1 795289222 ZHPGLZMROSLJCK-VIFPVBQESA-N 283.828 3.931 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1ccc(OCC#N)cc1 796323823 ITFAAWZFSXVLAK-QGZVFWFLSA-N 289.375 3.849 30 20 CHED C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)C(C)(C)C 796489010 IQTOSUHZMDPYPZ-SNVBAGLBSA-N 278.783 3.624 30 20 CHED N#CCN(C(=O)[C@H](F)CC1CCCCC1)c1ccccc1 796609550 SPDXHHUFIKBNQM-MRXNPFEDSA-N 288.366 3.852 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccc(C)o1 797173158 UKHVPORDGKBOBX-LBPRGKRZSA-N 297.358 3.634 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CCCCC)C(C)C 798041289 ZWSWYMIKJUJLNN-ZACQAIPSSA-N 295.467 3.936 30 20 CHED C#C[C@@H](/N=C\c1c(O)ccc2ccccc12)C(C)C 798343970 VRNGMGNFKIPOOF-CJMVGXJBSA-N 251.329 3.622 30 20 CHED COc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1OC(C)C 799723612 NXMIXTFPONJCMQ-STQMWFEESA-N 274.364 3.587 30 20 CHED C=CCCN(C)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801694569 XPYBVDRSNIDWNT-GFCCVEGCSA-N 289.272 3.751 30 20 CHED CC(C)c1nc2ccc(NCCO[C@H](C)C#N)cc2s1 802742002 XNMGQHGFFCFPTM-LLVKDONJSA-N 289.404 3.760 30 20 CHED N#CC1(COC(=O)c2ccc(C(F)(F)F)s2)CCC1 802765926 SBIARYHGQOIATR-UHFFFAOYSA-N 289.278 3.618 30 20 CHED C=CCCCCCCNC(=O)c1cccc(OC)c1 805219717 SYIVUCZPXIEWQM-UHFFFAOYSA-N 261.365 3.562 30 20 CHED C=CCCCCCCNC(=O)N[C@H](C)c1ccc[nH]1 805237903 HVWJVZNYGLRULZ-CYBMUJFWSA-N 263.385 3.511 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)Cc1cncc2ccccc12 805677508 DAONXVKDZVISHX-AWEZNQCLSA-N 283.371 3.923 30 20 CHED N#CCCCCCC(=O)OCc1ncc(-c2ccccc2)o1 805698603 XXGTWJNMZLDBDW-UHFFFAOYSA-N 298.342 3.859 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Cl)c(C)c2)no1 806556103 MLTVCLTTXWQAPI-XQRVVYSFSA-N 261.708 3.841 30 20 CHED Cc1cccc(NC(=S)NCC(C)(C)CCC#N)c1 806597491 IMJYOEIKECYLQH-UHFFFAOYSA-N 275.421 3.611 30 20 CHED C=CCN(C(=O)Nc1cnn(C)c1-c1ccccc1)C(C)C 806777420 DKLQIZYTIAGNMI-UHFFFAOYSA-N 298.390 3.515 30 20 CHED CCCC[C@@H](C)C(C)=NNc1cncc(Cl)n1 807963100 VTOKFFQQLALZEJ-SECBINFHSA-N 254.765 3.744 30 20 CHED C(=NNCC1CCCC1)c1cnc(-c2ccccc2)s1 808005811 KHQBJYABUHNZMN-UHFFFAOYSA-N 285.416 3.924 30 20 CHED C#Cc1ccc(CNC[C@H]2CCCC(F)(F)C2)cc1 809661824 QEUFKWOTBXRVRS-HNNXBMFYSA-N 263.331 3.583 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCCCS1 810768863 XSGFKVRFZHLLKJ-CQSZACIVSA-N 269.454 3.915 30 20 CHED CCc1cc(C(=O)OCCCCC(C)(C)C#N)ccc1O 811306572 YKIYIKPECGDYFP-UHFFFAOYSA-N 289.375 3.831 30 20 CHED CC(C)CON=C(C[C@@H]1CCCO1)c1ccc(F)cc1 811645681 VWLNNSUJFDVLRJ-HNNXBMFYSA-N 279.355 3.772 30 20 CHED Cc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc1C 811695807 MHRVGBFULJVRGX-CAOOACKPSA-N 273.335 3.998 30 20 CHED COc1ccc(C(=O)/C=C/C=C/c2ccc(F)cc2)cc1O 811698687 NDIWBLFBFXKLTE-ZUVMSYQZSA-N 298.313 3.992 30 20 CHED C#C[C@H](Nc1nc(C)nc(C)c1C)c1ccc(Cl)cc1 811862222 UJORDMCQEFMBMF-HNNXBMFYSA-N 285.778 3.842 30 20 CHED CC(C)OCCON=Cc1ccc(F)c(Cl)c1Cl 812240685 XRMHCHXPLFCTFW-UHFFFAOYSA-N 294.153 3.908 30 20 CHED CCC(C)=NNc1ccc(F)cc1Br 812462193 POAZUAMXRGDNAD-UHFFFAOYSA-N 259.122 3.786 30 20 CHED Cc1cc(C)c([C@@H](C)OC(=O)CCCC#N)c(C)c1 812615097 BSOUIRJWJUWQIS-CQSZACIVSA-N 259.349 3.910 30 20 CHED C#CCCCCCC(=O)O[C@@H]1CCOc2cccc(C)c21 814035483 NVWYNTQZUAIDSW-MRXNPFEDSA-N 286.371 3.946 30 20 CHED C=CCCc1ccccc1NC(=S)NC1CCC1 814203718 KVPADRZPNOQLIH-UHFFFAOYSA-N 260.406 3.644 30 20 CHED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNC1CCCC1 814833019 UNMBLRQMNHBHPU-CRAIPNDOSA-N 286.419 3.857 30 20 CHED C=CCC(F)(F)C(=O)N(Cc1ccco1)Cc1ccco1 814930681 IKNFGOVCEPEPKZ-UHFFFAOYSA-N 295.285 3.613 30 20 CHED CCC(=NOC1CCC1)c1ccc(Cl)c(N)c1 814936477 URQLLTFQBHQDCP-UHFFFAOYSA-N 252.745 3.605 30 20 CHED CCc1nc(C(C)C)ccc1C(=O)OCCCCC#N 815353313 XSJHSEFRHWTKJD-UHFFFAOYSA-N 274.364 3.618 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(-c2ncco2)ccc1C 815879203 LOCLRURFQVMNCK-UHFFFAOYSA-N 292.285 3.800 30 20 CHED Cc1cc(C#N)cnc1C(=O)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 815920536 KIRVDXZSIAWGFL-ARFHVFGLSA-N 298.386 3.777 30 20 CHED CCN(CC)c1ccc(CN(C)CC(C)(C)C#N)cc1 816632099 SZEXHQXWJDTPJJ-UHFFFAOYSA-N 273.424 3.514 30 20 CHED C[C@H](NN=C1CCc2cccnc2CC1)c1ccccc1 817323076 HDXVJBPKIBNTSE-AWEZNQCLSA-N 279.387 3.667 30 20 CHED C=CCCNC(=O)Nc1ccc(N2CCCCCC2)cc1 820771055 DQLTVFMQDNIKIQ-UHFFFAOYSA-N 287.407 3.765 30 20 CHED CC(C)CC[C@H]1CC[C@@H](NCc2ccc(C#N)cn2)C1 824230762 BFKJUHKWSLKKSB-GOEBONIOSA-N 271.408 3.648 30 20 CHED C#Cc1cnc(NCc2ccc(C)cc2OC(C)(C)C)nc1 827739667 PZZUDMMYYIALOP-UHFFFAOYSA-N 295.386 3.556 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc2c(c1)CCO2 834875058 SILNETICXIIJOP-VURMDHGXSA-N 264.324 3.826 30 20 CHED CC[C@@H](C)CC=NNc1ncccc1C(F)(F)F 834941308 OKOBOHWJMFQCSR-SECBINFHSA-N 259.275 3.934 30 20 CHED FC(F)CNN=C1CCC[C@H]1Cc1ccc(Cl)cc1 834960987 BKYBDJWGRUSNTG-NSHDSACASA-N 286.753 3.893 30 20 CHED C[C@H]1CC[C@@H](C)CC1=NNc1cc(C#N)cc(Cl)n1 834967491 HAWQGAUSDHCXIG-ZJUUUORDSA-N 276.771 3.831 30 20 CHED C[C@H]1CCCC1=NNc1cc(C(F)(F)F)ccn1 834984048 LVJVTODJYIAJOD-QMMMGPOBSA-N 257.259 3.688 30 20 CHED CC(CC1CCOCC1)=NN[C@H]1CCc2c(F)cccc21 835021710 YRRNGEPWUQFZIZ-KRWDZBQOSA-N 290.382 3.595 30 20 CHED C=CCC1(C(=O)OCc2sc(C)nc2C)CCCC1 835131746 FAXFWTJTQZBRGB-UHFFFAOYSA-N 279.405 3.940 30 20 CHED C=CC[C@@H](C(=O)OC[C@@H](C)SC)c1ccccc1 835683774 BDNGRTQLKILRFH-TZMCWYRMSA-N 264.390 3.641 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H](C)CC(C)(C)C 835704070 MVABUWJFWUPLMC-LBPRGKRZSA-N 277.364 3.628 30 20 CHED C=CC(C)(C)COC(=O)c1ncsc1C(F)(F)F 835722875 YZIMCQBBERXQML-UHFFFAOYSA-N 279.283 3.531 30 20 CHED C#CCCCCC(=O)N1CC2(CCCC2)[C@H]1C(C)C 837192751 WVMZEKBOFJQJEC-MRXNPFEDSA-N 261.409 3.607 30 20 CHED C=CCCCCCCNC(=O)N1CCCO[C@H](C(C)C)C1 838592452 SFIFERAJBIWQRR-INIZCTEOSA-N 296.455 3.579 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2sccc2C2CC2)C1 839053444 SEXBQRSQDFZGGC-JQWIXIFHSA-N 275.373 3.865 30 20 CHED CCOc1cc(C=NOCc2ccccc2)ccc1OC 839419260 BCFUBGGLUZBZLC-UHFFFAOYSA-N 285.343 3.645 30 20 CHED C[C@H](CCCc1cccnc1)/N=C\c1ccccc1O 840709832 GJVKCHZYDJUNER-RMENWYJGSA-N 268.360 3.618 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Nc2nc(Cl)c(C#N)s2)C1 841225791 YDIHWNRPIPASDS-RKDXNWHRSA-N 297.811 3.823 30 20 CHED C/C(=C/C(C)(C)C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 841238114 BEILDAKJLGRNAX-RAXLEYEMSA-N 299.418 3.864 30 20 CHED Clc1cccc(NN=CC[C@@H]2CCOC2)c1Cl 841646625 ZZJPPEHSIVORJR-SECBINFHSA-N 273.163 3.818 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)[C@H](N)c2ccccc2)n1 843235218 LVWMPOGUIJEODY-OCCSQVGLSA-N 285.391 3.727 30 20 CHED C#C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccccc1 843638363 LCSNCUIFKLKLQH-IEBWSBKVSA-N 289.378 3.597 30 20 CHED C=C(C)CONC(=O)Nc1cccc(OC2CCCC2)c1 844501165 ZUJKNSZVFJZNCC-UHFFFAOYSA-N 290.363 3.637 30 20 CHED CN(CCC#N)Cc1cc2cc(Cl)ccc2nc1Cl 846812856 BYHTWLMZJWGPTK-UHFFFAOYSA-N 294.185 3.887 30 20 CHED Cc1ccc(-c2ncc(C=NNCC(F)F)s2)cc1C 848405949 FKNFSOODCRHBEQ-UHFFFAOYSA-N 295.358 3.616 30 20 CHED CC(C)c1ccccc1C=NN[C@H](C)c1ccncc1 848412234 LPPUENMKHJVQEY-CQSZACIVSA-N 267.376 3.890 30 20 CHED C[C@H]1CC(=NNc2ccc(CC(=O)O)cc2)C[C@H](C)C1 848414939 GCPHBAIVODFEAH-VXGBXAGGSA-N 274.364 3.538 30 20 CHED C=CCCC(=O)COC(=O)c1cccc(C(C)C)c1 850282434 XMXPRSBIGQPOPO-UHFFFAOYSA-N 260.333 3.502 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCc2cc(F)ccc21 851201722 BPJFHWBSWYORMA-ABAIWWIYSA-N 289.350 3.727 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)c(C(C)C)n1 851205867 MRUTWNFTOPQTER-ZDUSSCGKSA-N 288.391 3.999 30 20 CHED C#CC1CCC(=NNc2nc(C(F)(F)F)cs2)CC1 853317406 XQFFXMZZQHOVSD-UHFFFAOYSA-N 287.310 3.753 30 20 CHED C=CCC(F)(F)C(=O)N1CC[C@H](C2CCCCC2)C1 855636644 OOPQIWOEBZOOIS-ZDUSSCGKSA-N 271.351 3.627 30 20 CHED CCCC[C@@H](C(=O)[C@@H](C#N)c1ccccn1)C(C)C 857010377 LYCBRGLLBJRXRB-KGLIPLIRSA-N 258.365 3.720 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(C(C)(C)C)nc1 860733423 HNQJDSQMGBTRRG-UHFFFAOYSA-N 288.391 3.752 30 20 CHED CCCC(=NNC[C@H](C)C#N)c1cc(C)sc1C 863104085 SMCZLOQUVPHPOC-SNVBAGLBSA-N 263.410 3.618 30 20 CHED N#CC1(COC(=O)/C=C/c2ccccc2C(F)(F)F)CC1 869738870 DPWMGGBFLKYHIS-AATRIKPKSA-N 295.260 3.566 30 20 CHED C#CCCCCCCNc1ccc(NC(C)=O)cc1 876834845 UNEJGDZOTPRIMG-UHFFFAOYSA-N 258.365 3.641 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1c(C)cc(C)cc1C 877904479 RBCQKKNJJXFZQF-INIZCTEOSA-N 258.365 3.535 30 20 CHED C=Cc1ccccc1NC(=O)N1CCCC[C@@H]1C=C 880203929 HKDNVWMDXNTQBA-AWEZNQCLSA-N 256.349 3.902 30 20 CHED Cc1ccc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(C#N)n1 882193092 YRFUMEGDUZCSTI-CRAIPNDOSA-N 293.370 3.594 30 20 CHED CC(=O)c1c(Cl)cccc1N[C@@H]1CC[C@H](C#N)C1 882483157 SIEMTJSMGYMBBC-WDEREUQCSA-N 262.740 3.647 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2c(Cl)cncc2s1 887893009 QRLZIELONRVEFB-UHFFFAOYSA-N 294.807 3.988 30 20 CHED C=CC1(OC(=O)c2csc(-c3ccc(C)o3)n2)CC1 893366873 WLUWRDTUUOXCRM-UHFFFAOYSA-N 275.329 3.587 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CCCc2cccnc21 896411390 LYIQBZMWFLAACZ-MRXNPFEDSA-N 263.344 3.751 30 20 CHED CC(C)c1ccc(C[S@](=O)Cc2cc(C#N)ccn2)cc1 899276756 CHPJIVZQCREZCB-NRFANRHFSA-N 298.411 3.526 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(F)n1 901468078 LQQQCMPSDVXCDP-HJWRWDBZSA-N 287.338 3.511 30 20 CHED Cc1cc2c(cc1C)[C@H](NCC(C)(C)C#N)CCS2 903101862 ODLARFVGNHABJN-CQSZACIVSA-N 274.433 3.980 30 20 CHED N#CCCCCOC(=O)c1csc(-c2ccccc2)n1 912958553 OBZMGIXFLHHSMU-UHFFFAOYSA-N 286.356 3.661 30 20 CHED Cc1ccc(C=NNCc2ccc(F)c(F)c2)cc1C 915975355 BCMUITLTPYEYRA-UHFFFAOYSA-N 274.314 3.705 30 20 CHED COc1ccc(O)c(C=Nc2ccc(Cl)c(F)c2)c1 915983001 MQJDAQCACLEISP-UHFFFAOYSA-N 279.698 3.944 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2F)c(F)c1 916248115 MFTRYMNWKSITCK-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C)c(Br)c1 918721842 ZLBGUVQOUNRSIH-UHFFFAOYSA-N 299.237 3.620 30 20 CHED Fc1cc2nc(NN=C/C=C\c3ccco3)[nH]c2cc1F 920375166 HGWSPZQTGKOADX-MHVYKCHPSA-N 288.257 3.545 30 20 CHED Cc1ccsc1C=NNc1cc(F)cc(F)c1 920376424 HXTJWEFGTKMCBG-UHFFFAOYSA-N 252.289 3.781 30 20 CHED CCn1cc(C(C)=NNc2cccc(Cl)c2F)cn1 921137805 MEULWPUPXHGHRL-UHFFFAOYSA-N 280.734 3.532 30 20 CHED Cc1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1 921266161 KACVSDFRMXLEKW-UKTHLTGXSA-N 268.287 3.793 30 20 CHED CCC(CC)[C@@H]1C[C@@H](N[C@@H](C)CC(C)(C)C#N)CCO1 926110029 PCJFHLNRGQMPQQ-BPUTZDHNSA-N 280.456 3.888 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1nccn1-c1ccccc1 926428024 NROOXDQTKOBWCA-LSDHHAIUSA-N 296.418 3.851 30 20 CHED C=C1CCN(C(=O)Nc2cccc(SC)c2C)CC1 930707120 OOFVJDXGTJMKJG-UHFFFAOYSA-N 276.405 3.901 30 20 CHED N#CCCCN(Cc1nc2ccccc2s1)C1CC1 932394530 MRGWQMGMVYKXGA-UHFFFAOYSA-N 271.389 3.564 30 20 CHED CC(C)c1nc(C=NNc2nncc3ccccc23)cs1 1115878923 QEYISCRBDZWZEW-UHFFFAOYSA-N 297.387 3.656 30 20 CHED Fc1ccc(CCC=NN=c2cc[nH]c3ccccc23)cc1 1118580798 PSJAMIPNESWJJA-UHFFFAOYSA-N 293.345 3.826 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](F)c2ccccc2)c1 1129808666 DCRZDWQCOJJDSC-HNNXBMFYSA-N 268.291 3.516 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)c2csc(C#N)c2)c(C)c1 1261253826 PZEIBZHVTMOOFP-CYBMUJFWSA-N 298.411 3.598 30 20 CHED N#C[C@@H](C(=O)[C@H](F)CC1CCCCC1)c1cccc(F)n1 1263380981 GZZWXYBYCLFZFR-CHWSQXEVSA-N 292.329 3.705 30 20 CHED C=CCC[C@@H](OC(=O)Cc1sc(C)nc1C)C1CC1 1263387672 YYJOQNDDDYDBCA-CYBMUJFWSA-N 279.405 3.590 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCc3ccc(F)cc32)c(F)c1 1265623335 UWAMTUNUJAJZCX-MRXNPFEDSA-N 299.276 3.681 30 20 CHED C=C(Cl)CN1C[C@@H](c2cccc(F)c2)OCC1(C)C 1307934255 NTXYFMWWCTZZQC-AWEZNQCLSA-N 283.774 3.730 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1C[C@H]1CC(C)(C)C 1310419224 YJENXHIOVPUIQR-DZGCQCFKSA-N 285.391 3.813 30 20 CHED CC(=NNCc1ccc(F)cc1)c1cc(F)ccc1F 1319277105 AJDQMEYSCUHNPG-UHFFFAOYSA-N 278.277 3.618 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1320706650 KQKQXCWEQGHESO-ZYHUDNBSSA-N 296.773 3.641 30 20 CHED Cc1ccccc1-n1nccc1/C=C\c1cc(C#N)ccn1 1322818231 BVCACAVFGBDISC-SREVYHEPSA-N 286.338 3.618 30 20 CHED CC#CCCOc1cccc2cc(Br)cnc12 1323342877 MWJUCNPTYCVONU-UHFFFAOYSA-N 290.160 3.790 30 20 CHED C#C[C@@H](NCc1ncccc1C)c1ccc(Cl)cc1 1324207736 KOYVBWLOTMJDRD-OAHLLOKOSA-N 270.763 3.508 30 20 CHED CCc1noc(C)c1COc1nc(C(C)(C)C)ccc1C#N 1330816227 KYOCHTNADVPCEW-UHFFFAOYSA-N 299.374 3.689 30 20 CHED N#CC1(CC(=O)N2CC[C@@H]3CCCC[C@H]3C2)CCCCC1 1331310546 OQYGWZMFPWZDGY-HOTGVXAUSA-N 288.435 3.889 30 20 CHED N#Cc1ccsc1NC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1333713586 SYLSSXCIFLIXOT-WCQYABFASA-N 289.404 3.664 30 20 CHED C=C(CC(C)C)C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 1347018929 UKHYRMIFEMOXCC-BRWVUGGUSA-N 293.451 3.521 30 20 CHED C=C(CC)C(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 1348175338 WUUWBYSFPBLNDZ-HNNXBMFYSA-N 261.340 3.668 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C(C)(C)C)s1 1355088205 ICNCFQPAVPWGHR-LLVKDONJSA-N 278.421 3.810 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCc2cc(F)ccc21 1435497258 QZSARGAKHSXQKS-MRXNPFEDSA-N 294.329 3.674 30 20 CHED Cc1cc(F)ccc1CN1CCc2ccc(C#N)cc21 1473349585 GTKFAJVKLDBLRR-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@@H](CC)CC1 1524061272 JPUACHCNWAFJTI-GFCCVEGCSA-N 298.381 3.808 30 20 CHED C=C(CC)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 1528094009 CXKYPOSCIGTGLD-UHFFFAOYSA-N 269.291 3.657 30 20 CHED N#Cc1cc(NC(=O)c2ccc(C3CC3)cc2)ccc1F 1529690013 GAACULHILXTFBD-UHFFFAOYSA-N 280.302 3.827 30 20 CHED CC(C)c1ccccc1C(=O)NCc1ccc(C#N)cc1 1532208777 DLVMABCQYNKKIU-UHFFFAOYSA-N 278.355 3.612 30 20 CHED COc1ccc([C@H](C)OC(=O)c2cc(C#N)ccc2C)cc1 1537743738 VSUAFEPKMBGCRK-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED Cc1ccc(CCOC(=O)CC2(C#N)CCCCC2)cc1 1538778049 KMTOAAZZTJHSCP-UHFFFAOYSA-N 285.387 3.945 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)c1ccc(C#N)c(Cl)c1 1543992250 OQMYWUAGNPYDDB-CZUORRHYSA-N 290.794 3.857 30 20 CHED C#CCCCCCCN1C[C@@H](CC(=O)O)c2ccccc21 1588441680 JJNUBNGXQUMFBO-OAHLLOKOSA-N 285.387 3.649 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1scc(C2CC2)c1C(=O)O 1602815639 BMNKMHCEGYHSTC-VIFPVBQESA-N 293.388 3.865 30 20 CHED C[C@H]1CC(=O)c2c(Oc3ccnc(C#N)c3)ccc(F)c21 1611753223 WJKYNPSAWCUOOR-VIFPVBQESA-N 282.274 3.575 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CCCC[C@@H]1C 1616421833 PNAISKOHAUUPTP-HOCLYGCPSA-N 278.440 3.991 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Nc1cccc(C#N)c1)C2 1622820412 PEMLTVDUJBHRSV-YEWWUXTCSA-N 297.402 3.895 30 20 CHED COCc1cccc(NC(=O)Nc2cc(C)cc(C#N)c2)c1 1625598509 KXFVHGCRCMJQSC-UHFFFAOYSA-N 295.342 3.657 30 20 CHED CC[C@H](C#N)C(=O)NCC1(c2ccccc2)CCCCCC1 1626705726 XQTWCEGFMAPZJO-MRXNPFEDSA-N 298.430 3.945 30 20 CHED Cc1nnc(N(C)C[C@@H](C)C2CCCCC2)c(C#N)c1C 1640262512 SKSUKMMSSVRECH-GFCCVEGCSA-N 286.423 3.618 30 20 CHED CC(C)(C)[C@H]1CN(c2cncc(C#N)n2)c2ccccc21 1642641182 GTZFQFPMLQPWGX-AWEZNQCLSA-N 278.359 3.630 30 20 CHED Cc1c(Cl)cnc(N(CCC(C)C)C2CC2)c1C#N 1654957758 VGCQFHMBSIFGEW-UHFFFAOYSA-N 277.799 3.930 30 20 CHED CC1(C)CCC[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1 1662467240 YXJQVBCRUDVGRE-ZDUSSCGKSA-N 289.354 3.788 30 20 CHED Cc1cscc1NC(=O)Nc1cc(C#N)ccc1F 1672624376 APRNLQAOMXODBR-UHFFFAOYSA-N 275.308 3.711 30 20 CHED O=C(O)c1cc(NN=C2CCCc3ccccc32)ccc1F 1776061563 CFZFBEBJPRTKHX-UHFFFAOYSA-N 298.317 3.676 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)c1ccco1 1776087981 IMLATQOYUXWXQZ-UHFFFAOYSA-N 272.304 3.512 30 20 CHED C=C(C)CN(CC)[C@@H](C(=O)O)c1ccc(F)cc1Cl 1776140157 BPGUAUDUXQMJIN-CYBMUJFWSA-N 285.746 3.503 30 20 CHED C=CCN(CC=C)C(=O)CCSc1ccccc1F 52930631 SLGXRGZIFIWDRV-UHFFFAOYSA-N 279.380 3.509 30 20 CHED O=C(/C=C\c1cc(Br)cs1)c1cccnc1 57825053 AJZHIOUQSDACBQ-ARJAWSKDSA-N 294.173 3.802 30 20 CHED CCN(CC)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 58444122 NSMHWYQOZPTROR-UHFFFAOYSA-N 285.391 3.555 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H](C)c1ccc(OC)cc1 175429350 MLXBUTCAKQZPDL-CQSZACIVSA-N 275.392 3.613 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 116851716 OPLQYMBNLUFCFG-ZLKJLUDKSA-N 263.768 3.524 30 20 CHED Cc1cc(O)c(CN(CCC#N)CC2CC2)cc1C(C)C 103459677 UABWNQMDMFLVCD-UHFFFAOYSA-N 286.419 3.950 30 20 CHED N#Cc1ccccc1/C=C/c1nc(-c2ccccc2)no1 171778520 HPFMMFJWFFIVQL-ZHACJKMWSA-N 273.295 3.779 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cnc(-c3ccccc3)s2)C1 179901078 DFBLEQOPSJKKOK-WCQYABFASA-N 298.367 3.659 30 20 CHED C=CC[C@@H](C)NC(=O)COc1cc(C)ccc1C(C)C 116852501 ATHFGHZCYPCXHZ-CQSZACIVSA-N 275.392 3.578 30 20 CHED N#CCCCOC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 171669951 WJEMXEBJUSRYQL-DLBZAZTESA-N 279.339 3.790 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H](C)[C@H]2C)c1 175268620 HOPFAEUEGPRBNU-QWHCGFSZSA-N 274.364 3.514 30 20 CHED C=CCCCSCc1cc(F)cc2c1OCOC2 172214923 GTVGNTMVADXBCX-UHFFFAOYSA-N 268.353 3.892 30 20 CHED Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1Cl 303680490 RQHVOGFNBRWELM-MEDUHNTESA-N 290.794 3.851 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1cc2ccccc2o1 116959870 ADGMRMFUSAWJDO-RYUDHWBXSA-N 272.348 3.758 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(NC(C)C)nc2)no1 1350358527 XWVLFHIORSNUJI-UHFFFAOYSA-N 294.305 3.620 30 20 CHED CC[C@@H](NC[C@H](C#N)CCC#N)c1ccc(Cl)cc1 119860911 UKHFRNZDRPVWJX-SWLSCSKDSA-N 275.783 3.824 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(C(F)(F)F)c2)cnn1C 179851351 NGZJWYAADTWBLY-VOTSOKGWSA-N 294.276 3.643 30 20 CHED Cc1cccc(OCCN(C)c2cccc(F)c2C#N)c1 302808237 RIZPQJICEUXJJN-UHFFFAOYSA-N 284.334 3.521 30 20 CHED C=CC1CCN(C(=O)NCC(C)(C)c2cccs2)CC1 114534331 OSKMKWDNKRUTBT-UHFFFAOYSA-N 292.448 3.633 30 20 CHED CC(C)c1nc(N(C)[C@H](C)CC#N)cc(C(C)(C)C)n1 302783881 UJMKQENVNOFIAV-GFCCVEGCSA-N 274.412 3.636 30 20 CHED CC[C@@H](C)Oc1ccc(Nc2ncccc2C#N)cc1 301549337 QKTOEYKBNAUCNL-GFCCVEGCSA-N 267.332 3.874 30 20 CHED N#Cc1cccc(NCC2(N3CCCCC3)CCCCC2)n1 301735784 QZWZATSPKOQUBU-UHFFFAOYSA-N 298.434 3.554 30 20 CHED Cc1ccc([C@@H]2CCCCN2c2ccc(C#N)cn2)cc1 301569855 KQAGCEYAUGQADA-KRWDZBQOSA-N 277.371 3.993 30 20 CHED CCCCC[C@@H](C)CC(=O)NCc1cccc(C#N)c1 173358583 NAKSAHBEPMQTHE-CQSZACIVSA-N 272.392 3.781 30 20 CHED N/C(=N\OCc1csc(C2CC2)n1)C1CCCCCC1 178940555 GWKVJYGJZVUJBI-UHFFFAOYSA-N 293.436 3.780 30 20 CHED CCOCCC1(CNc2ccc(Cl)cc2C#N)CC1 301793260 OMQVMZGXCGVZND-UHFFFAOYSA-N 278.783 3.830 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)o1 174415799 NIKMJEUHXHAULX-QAPCUYQASA-N 280.371 3.652 30 20 CHED CCC(CC)(CNc1nc(C)ccc1C#N)SC 231630290 ZPFKHKQLIMGDQF-UHFFFAOYSA-N 263.410 3.595 30 20 CHED C=CCCCC(=O)Nc1ccc(N2CCCC2)cc1C 175159412 NLJQPMJOFODWFK-UHFFFAOYSA-N 272.392 3.890 30 20 CHED C[C@@H](Cc1ccccc1F)N[C@@H](C)c1ccc(C#N)cc1 128558790 JTUCHJMASDBZAN-KBPBESRZSA-N 282.362 3.979 30 20 CHED Cc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C)s1 31435314 DMUGZVGXODXBOG-NSHDSACASA-N 284.384 3.728 30 20 CHED Cc1ccc(CCNc2ccc(Cl)c(C#N)n2)cc1 301603205 WVXLDHMBAXWEPB-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccc(-c2ccc(F)cc2)s1 120117688 JJGQNMKPUGTNNW-LBPRGKRZSA-N 288.347 3.586 30 20 CHED COCCc1ccccc1NCC#Cc1ccc(Cl)cc1 188026684 GPKDSQXZSYEXSL-UHFFFAOYSA-N 299.801 3.993 30 20 CHED N#Cc1cccc(Cl)c1NCC1(O)CCCCCC1 301398756 ORRZAHPNSMAGAS-UHFFFAOYSA-N 278.783 3.709 30 20 CHED CC[C@@H](C)N(C)CCNc1ccc(C#N)c(C(F)(F)F)c1 218075151 BXRYDCGGGZBEQO-LLVKDONJSA-N 299.340 3.719 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 187832028 CGOROAXJFKLNEM-CQSZACIVSA-N 278.783 3.763 30 20 CHED C=C(Br)CNC1CC(c2ccccc2C)C1 127474518 JUSZOBVFCIFPMQ-UHFFFAOYSA-N 280.209 3.739 30 20 CHED Cc1c(Cl)cccc1NC(=O)N(CCC#N)CC1CC1 78439955 RQFDWFZTFFHHCR-UHFFFAOYSA-N 291.782 3.806 30 20 CHED CCCCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505948393 OMKSNILAOSYIHH-GFCCVEGCSA-N 284.281 3.576 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 182611720 YDBKVRWVHHRURY-GLQYFDAESA-N 293.357 3.929 30 20 CHED C#CCOc1ccc([C@H](C)N[C@H]2CC[C@H](SC)C2)cc1 128411865 CSBUQJKMUPSVQJ-QRTARXTBSA-N 289.444 3.633 30 20 CHED C[C@H](NC(=O)[C@@H](C)SCCC#N)c1ccc(Cl)cc1 413013957 PKQYYTGALKWSOW-WDEREUQCSA-N 296.823 3.553 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)CC1 71202737 NYYXIJQZVJLFBM-INIZCTEOSA-N 284.403 3.847 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccccc1O[C@H](C)C#N 188060545 CYVCTECTZDMHEH-WBMJQRKESA-N 272.348 3.518 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@@H]1CCc2ccccc2C1 410482839 IVSJEPKVPYRNHW-MRXNPFEDSA-N 271.404 3.605 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC)C(F)F 413823868 BGSREAGRNOKTEE-KBPBESRZSA-N 296.361 3.517 30 20 CHED CN(CCC1(C#N)CCCCC1)[C@H](CO)c1ccccc1 411228623 SLRLUZATIDUWMF-QGZVFWFLSA-N 286.419 3.516 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)c1ccc(OC)cc1 509157811 XOMFLTAHXDGVIR-UHFFFAOYSA-N 294.354 3.542 30 20 CHED CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(C#N)cc1 74256093 GBSQRWCUHUQVAV-UHFFFAOYSA-N 297.333 3.770 30 20 CHED C#CCC(C)(C)C(=O)N(Cc1ccc(CC)cc1)C1CC1 185222201 HFPTVEFTNJVRTM-UHFFFAOYSA-N 283.415 3.790 30 20 CHED O=C(/C=C/c1ccc(SC(F)F)cc1)c1cnccn1 180439343 IEESIHRGEORKKE-ZZXKWVIFSA-N 292.310 3.687 30 20 CHED C#CCCCCC(=O)N1CCC(c2ccsc2)CC1 187816690 BKEQUPXGZBEZRO-UHFFFAOYSA-N 275.417 3.648 30 20 CHED CC(C)N(CCOCC1CCC1)Cc1ccc(C#N)cc1 419189496 KOSIERQEKMNWBW-UHFFFAOYSA-N 286.419 3.585 30 20 CHED CC[C@H](C#N)Nc1cc(-c2nc(C)co2)ccc1C 122260710 KWGBFEIOCSFKQE-CYBMUJFWSA-N 255.321 3.673 30 20 CHED N#CC1(CCN2CCOCc3ccccc32)CCCCC1 411660972 UEELJUMWZMPJSP-UHFFFAOYSA-N 284.403 3.887 30 20 CHED CCCN(Cc1ccc(Br)cc1C#N)C1CC1 336719854 RYBNGPOJBQAPOF-UHFFFAOYSA-N 293.208 3.695 30 20 CHED CC(C)(C#N)CCCCN1C[C@H](O)C[C@H]1c1ccccc1 411926625 QDMNKIZPHVMODE-SJORKVTESA-N 286.419 3.514 30 20 CHED C=CCN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 182561248 SZPQMUBLPMINRF-CQSZACIVSA-N 280.371 3.776 30 20 CHED CCCCCCCC(=O)N1CCc2c(cccc2OC)C1 182809552 AQOUORQGKSSXSD-UHFFFAOYSA-N 289.419 3.940 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C#N)cc1 414218447 ZPNKLADPYJPORE-LTIDMASMSA-N 254.377 3.788 30 20 CHED CCCOc1ccc(OCCSCCC#N)cc1 413016743 WYDXXLYOUHQQHG-UHFFFAOYSA-N 265.378 3.501 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(F)c1 507215357 VOVAQPDEBYPDRS-CYBMUJFWSA-N 268.335 3.890 30 20 CHED C=C[C@H](C)OC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 187532867 GLJJGRVXYAFANE-LBPRGKRZSA-N 299.326 3.572 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)c1cccc(SCC#N)c1 79532590 NLWMBOGKWZGDER-OLZOCXBDSA-N 290.432 3.857 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1C1CCCCC1 45326960 MTOCGOIXOCLSQE-MRXNPFEDSA-N 270.376 3.647 30 20 CHED CC(C)(CC#N)CNc1ncnc2sc3c(c12)CCC3 413412696 SJFDTQXRRJNTNG-UHFFFAOYSA-N 286.404 3.532 30 20 CHED N#Cc1c(Cl)nsc1NCCc1ccccc1Cl 49390207 ZPQHFWWPNGETIT-UHFFFAOYSA-N 298.198 3.976 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)c2cccc(C)c2)c1 132471968 KXTUZBOJHIQCLT-AWEZNQCLSA-N 263.340 3.719 30 20 CHED O/C(=N/CC1CCCCC1)c1cc(O)nc(C2CC2)c1 329951624 MWZSPFZRSMZZMS-UHFFFAOYSA-N 274.364 3.550 30 20 CHED CC[C@H](C#N)OC(=O)CCc1ccc(Cl)cc1Cl 84697284 UMWBMAWNRKYJDH-LLVKDONJSA-N 286.158 3.771 30 20 CHED Cc1ncsc1N=C(O)[C@@H]1CCC(=O)[C@H](C)C1(C)C 329601931 XTLQIOVQWIZNJS-WPRPVWTQSA-N 280.393 3.681 30 20 CHED Cc1ccccc1OC(=O)CSCc1ccc(C#N)cc1 42193651 PTRCONOWNYSPRG-UHFFFAOYSA-N 297.379 3.706 30 20 CHED CCCCCCCS(=O)(=O)c1ccc(C)cc1 138430479 TWOCRTRSTCCSAL-UHFFFAOYSA-N 254.395 3.739 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)c(C(C)=O)c2)CCC1 519831836 FYJDZJSYFPKHQW-UHFFFAOYSA-N 271.360 3.883 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F 134010433 BDQXMMVJKTWNFZ-SWLSCSKDSA-N 291.341 3.705 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](CC)Cc1ccccc1 424636065 HDUOMIIQXJYMQC-HNNXBMFYSA-N 259.393 3.726 30 20 CHED Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)cc(C)c1F 135133513 YQNYLSXRWMSFNK-UHFFFAOYSA-N 296.345 3.586 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCCOC1 193680190 QLAOWSRSUJMFAC-UVSFYCKTSA-N 288.174 3.545 30 20 CHED CCCCOCC/N=C/c1cc(Cl)cc(Cl)c1O 194853956 GPKHXJGDEKNYRD-CXUHLZMHSA-N 290.190 3.935 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1c1cccc(C)c1C 192133908 NGSXEMZLCYUCJX-QGZVFWFLSA-N 269.388 3.770 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1cccc(C#N)c1C 513733486 PZBBFEGPYRAVSJ-UHFFFAOYSA-N 293.370 3.859 30 20 CHED C[C@@]1(C(O)=Nc2nc(-c3cccs3)cs2)CCOC1 329678054 QDJHYISNKHKNND-CYBMUJFWSA-N 294.401 3.886 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C)c1 45403984 MPAYWWJRWUAYFJ-UHFFFAOYSA-N 292.382 3.919 30 20 CHED Cn1nccc1C(=O)/C=C/c1cccc(OC2CCCC2)c1 193052981 CIAREPWVRQURIO-MDZDMXLPSA-N 296.370 3.638 30 20 CHED C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(C#N)cc2Cl)C1 426135799 IPZPIJXXLUIKLJ-QWRGUYRKSA-N 291.782 3.721 30 20 CHED CC(C)(C(=O)Nc1ccsc1)c1cc(F)cc(C#N)c1 336494754 WQEZCHSIDLHTLS-UHFFFAOYSA-N 288.347 3.675 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(c2cc(C#N)ccn2)C1 425279792 ILRBCUWYMNMTFT-MRXNPFEDSA-N 277.371 3.931 30 20 CHED CC(C)CCNCc1cccc(OCCCC#N)c1 236731275 VTKJPSYKPRMKIY-UHFFFAOYSA-N 260.381 3.505 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@@H](c2cccnc2)C1 335417292 NHTPPKOXVQUKFU-OAHLLOKOSA-N 297.789 3.596 30 20 CHED C=CCNC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 339443366 OVECMSQKZZUWBX-SFHVURJKSA-N 294.398 3.846 30 20 CHED Cc1cnc(CN(Cc2ccc(C#N)cc2)C(C)C)s1 180450453 NJPOJBCFIRPVMR-UHFFFAOYSA-N 285.416 3.734 30 20 CHED CC1(C)C(/N=C(/O)C2CC2)C(C)(C)C1/N=C(/O)C1CC1 330143126 QYPUZLMLXNBUDY-UHFFFAOYSA-N 278.396 3.523 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 336245482 FXWKXHIUCRDHPO-QGHHPUGFSA-N 297.358 3.614 30 20 CHED N#C[C@@H]1CC[C@@H](NC2(c3cccc(Cl)c3)CC2)C1 335880803 YNIAXHOMAKJIAD-BXUZGUMPSA-N 260.768 3.611 30 20 CHED C=C[C@H](C)NCc1ccc(OC)c(OCCCCC)c1 236764261 JFPLEAXVUNBQMF-AWEZNQCLSA-N 277.408 3.928 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](CC)CC1CCCCC1 91968203 QXLIEYSHSZVUMH-GJZGRUSLSA-N 264.413 3.791 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1nc(CC)c(C)s1 432968010 TXEDGMABVWIUSY-UHFFFAOYSA-N 281.425 3.738 30 20 CHED C#C[C@H](C)OC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 246565888 MOULTQMXVMUXMC-ZLIFDBKOSA-N 264.324 3.508 30 20 CHED N#CC1(CSCc2ccc(OC(F)F)cc2)CC1 344485060 PCHQZZBJFBGXCP-UHFFFAOYSA-N 269.316 3.825 30 20 CHED CCC1(CC)CN(C(=O)NCCCC#N)c2ccccc21 345817349 OYRHCZQFVHFGIH-UHFFFAOYSA-N 285.391 3.578 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2F)[C@H]1c1ccccc1 245434410 PTZXTCCCHHFNSD-SCLBCKFNSA-N 280.346 3.890 30 20 CHED CCc1ncc(CN[C@@H](CCC#N)c2ccccc2)s1 344830937 SUYVTZDYAAVDKT-HNNXBMFYSA-N 285.416 3.840 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 248580641 VSYXLBHPUABIMV-JZXOWHBKSA-N 284.403 3.830 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1ccc(COC)c(C#N)c1 529817708 OMGWHSTYPQTXKK-QGZVFWFLSA-N 288.391 3.860 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cccc(F)c1 341111731 QDSFRNJMWNPAHY-UHFFFAOYSA-N 287.309 3.793 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(CC#N)cc2)C1 347173326 SLQJREODBICTRY-KXBFYZLASA-N 291.398 3.731 30 20 CHED C[C@H](CCC#N)N(C)Cc1cccc(Br)c1 298054006 ICRAPBGYYZULDC-LLVKDONJSA-N 281.197 3.573 30 20 CHED N#Cc1ccc(/C=C/c2nc(Cc3ccccc3)no2)cc1 521892320 COFJTDUZRWHCOV-ZHACJKMWSA-N 287.322 3.702 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)/C=C\c2ccc(Cl)s2)C1 255770819 KFWALQREHLAJHM-ZUJXDTADSA-N 281.764 3.650 30 20 CHED COc1ccc(OCc2ccc(CC#N)cc2)c(C(C)=O)c1 342482911 SAFNUXKADHMVPO-UHFFFAOYSA-N 295.338 3.543 30 20 CHED C=CC[C@@H]1N(C(=O)CC2(OC)CCC2)CCCC1(C)C 347450640 SQPJLRUQEVGNNT-AWEZNQCLSA-N 279.424 3.539 30 20 CHED CCC(C#N)(CC)C(=O)N1CCc2c(Cl)cccc2C1 528635131 PZIRAFNXMAHZSC-UHFFFAOYSA-N 290.794 3.555 30 20 CHED COc1cccc([C@@H]2C[C@H](C)CN2c2cccc(C#N)n2)c1 343427579 GAGVFRTZIZWQGA-GUYCJALGSA-N 293.370 3.549 30 20 CHED Cc1c(Br)cccc1CNC[C@@H](C)CCC#N 602705208 MIGTVXLYWAXGBK-NSHDSACASA-N 295.224 3.787 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C(CC)(CC)c1ccccc1 440386306 SJOBTRKPSVWRFY-HNNXBMFYSA-N 286.419 3.753 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)CC1(CC#N)CC1 602833280 MZSGXDLRBSOANN-MRXNPFEDSA-N 272.392 3.772 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cccc(C#N)n1 602563970 KBDDWBFMAGJDLS-XIKOKIGWSA-N 295.361 3.506 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(C)c1cccc(C#N)c1 525995398 CNGLYQGWDVXWNW-GOEBONIOSA-N 270.376 3.737 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccc(C#N)cc2F)c1 444734825 LSUJBMPRBDXTBJ-UHFFFAOYSA-N 286.325 3.777 30 20 CHED CNC(=O)c1ccc(/C=C\C(=O)c2cccc(C)c2C)cc1 255265504 CMFUIWGLNGOMQO-XFXZXTDPSA-N 293.366 3.559 30 20 CHED CC[C@H](C)CCC(=O)Nc1nc2cc(C#N)ccc2n1CC 354505441 TTXOJUASZMVAIT-LBPRGKRZSA-N 298.390 3.693 30 20 CHED COc1ccccc1C=NOCc1ccc(Cl)cc1 255660917 HULCAOVZEPCSHJ-UHFFFAOYSA-N 275.735 3.899 30 20 CHED CCOc1ccc(OCC)c(N[C@H]2CC[C@H](C#N)C2)c1 442871671 XDIITBYKBYCTQY-STQMWFEESA-N 274.364 3.588 30 20 CHED C[C@@H](CN(C)CC#Cc1ccc(F)cc1)c1ccccc1 446830012 NUAKMOKBWSQXRF-INIZCTEOSA-N 281.374 3.913 30 20 CHED CCOc1cc(C#N)ccc1OCc1ncc(Cl)s1 358697697 VVUBLBVHEVOQSN-UHFFFAOYSA-N 294.763 3.646 30 20 CHED C[C@@H](NCCOc1ccc(C#N)cc1)[C@H](C)c1ccccc1 536868830 IPSZDDVYNPMMSB-JKSUJKDBSA-N 294.398 3.719 30 20 CHED CC[C@H](C)CCCCC(=O)N(CCC#N)CC1CC1 612281351 HVVPTPTXCBZZBN-AWEZNQCLSA-N 264.413 3.745 30 20 CHED C[C@H](CCC#N)CNCc1ccccc1OC(F)(F)F 602501426 HBWIVDUESCXGOM-LLVKDONJSA-N 286.297 3.615 30 20 CHED C[C@H](NCCOc1ccc(C#N)cc1)[C@H](C)c1ccccc1 536868827 IPSZDDVYNPMMSB-HOTGVXAUSA-N 294.398 3.719 30 20 CHED Cc1cc(CNc2cccc(-n3cccn3)c2)ccc1C#N 444005694 XTNIVFYCKVKPOV-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CC23CCCCC3)C1 531912192 SRTYJVAZKJSRPV-KEYYUXOJSA-N 274.408 3.545 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cncs1 619754825 LLLCJJYESREUCA-VIFPVBQESA-N 277.780 3.519 30 20 CHED C=CC(C)(C)CNCc1c(C2CC2)nc2sccn12 449484326 GJDLKNOWIPXEGL-UHFFFAOYSA-N 275.421 3.575 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)OCC 535145992 BGXCNPVSFIECSA-VQHPVUNQSA-N 293.451 3.833 30 20 CHED C=CCCSc1nnc(-c2ccc(C)cc2)n1CC 532634496 QPCRGKBVRWHAKF-UHFFFAOYSA-N 273.405 3.942 30 20 CHED Cc1ccc(CCCN2CCC[C@@](C)(C#N)C2)cc1 612162582 IOUZGZFTRSTVNP-KRWDZBQOSA-N 256.393 3.553 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCc2ccc3[nH]ccc3c2)C1 617781744 SYQKRWNQZKICLU-MRXNPFEDSA-N 296.414 3.915 30 20 CHED C=CCCCC(=O)N1CCc2cccc(C(F)(F)F)c2C1 530081694 BCAMJILBWCNJDR-UHFFFAOYSA-N 297.320 3.946 30 20 CHED C=C(CC)CNc1cccc(C(=O)N2CCCC2)c1C 358655212 MVSBTXJJSLRUPB-UHFFFAOYSA-N 272.392 3.609 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(OC)c2)C1 617778365 DXYBDDNCIURKKL-GFCCVEGCSA-N 293.794 3.777 30 20 CHED COC(C)(C)C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 611393508 VJVDVVWMRNVPPB-DYVFJYSZSA-N 286.419 3.729 30 20 CHED C=CCCNC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 617617414 FUMKMCIXYUHPBL-UONOGXRCSA-N 257.377 3.668 30 20 CHED CCCN(CC#N)Cc1coc(-c2ccc(Cl)cc2)n1 264227889 XUEVMHBGEGWYEO-UHFFFAOYSA-N 289.766 3.731 30 20 CHED N#CCc1ccc(C(=O)N2CCCCc3sccc32)cc1 619557659 OXBUTPPRHVKFJS-UHFFFAOYSA-N 296.395 3.797 30 20 CHED COc1ccc(C#N)cc1NC(=O)C1=CCC(C)(C)CC1 455196169 GGKRUZJDCZGUHJ-UHFFFAOYSA-N 284.359 3.642 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2ccc(CC#N)cc2)cc1 536087658 GMQGNKBJDHWNMO-AWEZNQCLSA-N 278.355 3.552 30 20 CHED CC(C)CCN(CCC#N)C[C@H]1CCOc2ccccc21 611268834 YAYHDLCAYVDFGN-MRXNPFEDSA-N 286.419 3.814 30 20 CHED C=CC(C)(C)CNC(=O)c1cccc2c(C)c(C)[nH]c12 452777734 OTDXKLJXVBMKPR-UHFFFAOYSA-N 270.376 3.727 30 20 CHED C=C(C)CCNC(=O)N(CCC)CCc1cccs1 455330437 UUOKVVYVEXXIJB-UHFFFAOYSA-N 280.437 3.678 30 20 CHED N#Cc1c(F)cccc1OCc1cccc(OC(F)F)c1 534383323 CFLCQZHPQDXVLB-UHFFFAOYSA-N 293.244 3.878 30 20 CHED CC(C)(C#N)CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 611688528 UXWFGMYIJQOVNB-SJORKVTESA-N 292.382 3.609 30 20 CHED CC(C)(C#N)CCCCN1CCSC[C@H]1C1CC1 451646730 GNAZCHGWNOYVLQ-AWEZNQCLSA-N 266.454 3.534 30 20 CHED C=CCN(C(=O)c1sc(-c2ccccc2)nc1C)C1CC1 539035347 OBAWZMMVYYCKES-UHFFFAOYSA-N 298.411 3.909 30 20 CHED CCC1CCC(N(C(=O)CCCC#N)C2CC2)CC1 361536542 KRVYPMUREQSSRW-UHFFFAOYSA-N 262.397 3.640 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)n2C)n1 453184705 JTHSOGKWLAMABB-WCQYABFASA-N 284.363 3.631 30 20 CHED Cc1ccc([C@@H](NCC2(C#N)CCC2)c2ccccn2)cc1 450889695 RVGLZEDYAOLTGB-GOSISDBHSA-N 291.398 3.763 30 20 CHED C[C@H](N[C@H]1c2ccc(F)cc2O[C@H]1C)c1ccc(C#N)cc1 367578860 XNZLBNLDTUHBLL-OAVHHTNSSA-N 296.345 3.870 30 20 CHED CCCn1c(C(=O)NCC(C)(C)CC#N)cc2ccccc21 457989808 GIWOUBMWZQBJPL-UHFFFAOYSA-N 297.402 3.721 30 20 CHED C=CCC1(CNC(=O)Cc2csc(CC)n2)CCCC1 456485174 KWBYZSKIMZBFNT-UHFFFAOYSA-N 292.448 3.501 30 20 CHED CN(CCCC1(C#N)CCOCC1)c1ccc(F)c(F)c1 619620285 JMNXWLSNQSPECB-UHFFFAOYSA-N 294.345 3.502 30 20 CHED Cc1cc(C)c(NC(=O)N2CCC(C)(C#N)CC2)c(C)c1 272525303 LWNVHODGKMCUIP-UHFFFAOYSA-N 285.391 3.769 30 20 CHED COCCOc1ccc(C#N)cc1N[C@H]1CCC[C@@H](C)C1 542464471 VEDXBWBJGLJKKY-HIFRSBDPSA-N 288.391 3.574 30 20 CHED COc1cc(C#N)ccc1NC(=O)CC1CCC(C)CC1 546004616 JOQRJGYSPRKGIP-UHFFFAOYSA-N 286.375 3.722 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccc(C)s1 274634560 ZRXLUAKURBUCLX-UHFFFAOYSA-N 266.410 3.554 30 20 CHED CC(C)C[C@@]1(C)CCCN1CCCSCC#N 451291796 RPUNJZRFAHURJB-CQSZACIVSA-N 254.443 3.534 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCOCC2(CCCC2)C1 369962842 ACARQHRCNJKTMU-HNNXBMFYSA-N 284.403 3.512 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc3c(c2)OCO3)no1 546296055 KEDFEJORBMKUCK-UHFFFAOYSA-N 284.315 3.701 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(CC)(c2ccccc2)C1 458731894 KXBIIIBEEYPVDQ-INIZCTEOSA-N 286.419 3.714 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1c1ncccc1C#N 450572325 UBOMHKAMZPWYMW-HOSYDEDBSA-N 283.297 3.509 30 20 CHED CC(C)Oc1cccc(CNCC(C)(C)CC#N)c1 459685717 FTUWZZQPQPDBFV-UHFFFAOYSA-N 260.381 3.503 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccc(C)c(C)c1 454910238 KWUVGBMBJOSUOJ-MRXNPFEDSA-N 274.408 3.800 30 20 CHED C=CCCCCCN(C)C(=O)CC(C)(C)CC(C)=O 276543204 OBJSMWNERSYMEO-UHFFFAOYSA-N 267.413 3.587 30 20 CHED CC(C)(CC#N)CNCc1cnc(-c2cccs2)s1 459732068 OIJLDLOURZPIAS-UHFFFAOYSA-N 291.445 3.901 30 20 CHED C=CCOCCSc1ncc(C(C)C)n1C(C)C 549374273 NYHRRERBZUZMOK-UHFFFAOYSA-N 268.426 3.882 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 270209430 FZOIGVPVBHVFMK-DOTOQJQBSA-N 282.387 3.547 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)[C@H](C)c1cccc(C#N)c1 462116613 JBEWSAKLHPQIMR-UONOGXRCSA-N 286.419 3.993 30 20 CHED COc1ccccc1[C@H](NCCCC#N)C1CCCC1 273178052 DLCVLZKKUMEKIU-QGZVFWFLSA-N 272.392 3.820 30 20 CHED N#Cc1ccc(Oc2ncc(Cl)cn2)c2ccccc12 549699324 RTQMHNWBEDBTHH-UHFFFAOYSA-N 281.702 3.947 30 20 CHED C=C[C@@H](Cc1nc(CCc2ccco2)no1)c1ccccc1 545780803 VBQBHIMBXQYEOG-AWEZNQCLSA-N 294.354 3.960 30 20 CHED C=CCCCCNC(=O)C1CC(c2cccc(F)c2)C1 547431777 GWVIDTYTJHKPKK-UHFFFAOYSA-N 275.367 3.792 30 20 CHED N#Cc1cc(F)ccc1NC(=O)Nc1cccc2cc[nH]c12 548486613 VHIGVCVIYHWHEW-UHFFFAOYSA-N 294.289 3.823 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1SCCc2sccc21 620858824 QFIXSWOFEQSDBV-CYBMUJFWSA-N 295.473 3.940 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Sc1ccccc1Cl 466647509 IGWAQFUUTQZPRX-LLVKDONJSA-N 283.824 3.855 30 20 CHED Cc1ccc2c(c1)[C@@H](NCCc1cccc(C#N)c1)CC2 467442060 CYGGQZXWGJQHSA-IBGZPJMESA-N 276.383 3.686 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2c(Cl)cccc21 467980872 FEFQIJXBJNIPGJ-HNNXBMFYSA-N 263.768 3.831 30 20 CHED C[C@H](Nc1ccnc(C#N)c1)c1cccc(N2CCCC2)c1 287936156 REPKOBCXTJRUBS-AWEZNQCLSA-N 292.386 3.727 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc(F)cc3F)no2)c1 551103007 YTSANPFKWRJHST-UHFFFAOYSA-N 283.237 3.553 30 20 CHED CCO[C@@H]1C[C@H](N[C@H]2CCC[C@H](C#N)C2)C1(CC)CC 463234460 JLSJHCMCBYGACU-YHUYYLMFSA-N 278.440 3.642 30 20 CHED C#CC[C@H](NCc1c(C)cc(C)nc1OC)c1ccccc1 287978171 ZSRLEEPBXZPARE-SFHVURJKSA-N 294.398 3.561 30 20 CHED CCC[C@@]1(C)CCCN(c2snc(C)c2C#N)C1 557630891 SGMMQNUEAPJLGA-AWEZNQCLSA-N 263.410 3.730 30 20 CHED C=CCC[C@@H](NC(=O)c1cnn(CC)c1C)c1ccccc1 630295856 NPDDOQJYIPLQBH-QGZVFWFLSA-N 297.402 3.649 30 20 CHED COC(=O)CC1(NCCCCC(C)(C)C#N)CCCCC1 559837582 BOYCYXATFOWJSV-UHFFFAOYSA-N 294.439 3.562 30 20 CHED Cc1cc(COC(=O)C2(C#N)CCCCC2)cs1 286818167 ARALVXLHOGHPSX-UHFFFAOYSA-N 263.362 3.574 30 20 CHED C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(C#N)c(F)c1 287329161 MHNGDKQFGPVCST-OQPBUACISA-N 286.272 3.689 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cnc(OC)c(Cl)c1 556574004 NDSZPOLOJHURDD-CMPLNLGQSA-N 268.788 3.749 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)C(C)(F)F 559755481 IDDNCLKBAZCDEY-GFCCVEGCSA-N 273.367 3.873 30 20 CHED C=CCC[C@H](NC[C@H]1CCO[C@@H]1C(=C)C)c1ccco1 556880815 VHKBJRBUQDFNEE-HLLBOEOZSA-N 275.392 3.858 30 20 CHED C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)c2ccccc2O1 294948094 CVQABLOHZPIWGE-CXAGYDPISA-N 278.355 3.560 30 20 CHED C=CCN(Cc1cnc(CC)s1)c1ccccc1 475135050 LPPYAIKZUXNKOV-UHFFFAOYSA-N 258.390 3.898 30 20 CHED C=CCCCCNC(=O)Nc1ccc([C@@H]2CCOC2)cc1 297604855 ZZWHNJRPZZIERO-OAHLLOKOSA-N 288.391 3.668 30 20 CHED C=CCC[C@H](C)Nc1cccc(NC(=O)N(C)C)c1 295169170 FVAHBWNXDRJWFC-LBPRGKRZSA-N 261.369 3.547 30 20 CHED Fc1ccc(C#CCN2Cc3cccc(Cl)c3C2)cc1 805804749 DSCHMXLWLYLHOC-UHFFFAOYSA-N 285.749 3.846 30 20 CHED CC(C)Cc1ccc(/C=C\C(=O)c2ccnc(O)c2)cc1 806556699 XWOJSJFFDXGMON-FPLPWBNLSA-N 281.355 3.882 30 20 CHED C=C(C)CSCC(=O)NC[C@@H](c1ccccc1)C(C)C 565865058 HQFMDXMFCUBRLV-MRXNPFEDSA-N 291.460 3.852 30 20 CHED CC[C@@H](NC[C@H]1COc2ccccc21)c1ccc(C#N)cc1 290297419 NGZHLSXQUGSZOV-FUHWJXTLSA-N 292.382 3.775 30 20 CHED CCCCCCCCCN(C)C(=O)CCc1cncnc1 292306182 QJBMRDAWVUXCDE-UHFFFAOYSA-N 291.439 3.618 30 20 CHED N#CCCCNC1(c2ccc(Br)cc2)CCC1 299195372 MVRONPJPPBPUAE-UHFFFAOYSA-N 293.208 3.722 30 20 CHED Cc1cc(SCCO[C@H]2CCCCO2)ccc1C#N 568749859 XNPWRSOCBNCERE-HNNXBMFYSA-N 277.389 3.502 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](C)CC1 566069380 BTCFCOKYRLAXBC-MQMHXKEQSA-N 286.375 3.722 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1scc(C)c1C#N 564221420 VMQCPKZXJJYBKC-UHFFFAOYSA-N 279.409 3.828 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1C=CCCC1 297763758 MEQLLTUOBMVHGC-AWEZNQCLSA-N 280.371 3.584 30 20 CHED Cc1ccc(F)c(NN=Cc2c[nH]c(C(F)(F)F)c2)c1 807977274 YYBIRJZZWFNCKE-UHFFFAOYSA-N 285.244 3.927 30 20 CHED CN(C(=O)NCCCCC#N)[C@H]1CCC[C@@H]1c1ccccc1 297803420 WHDRBOLEDQIAJQ-SJORKVTESA-N 299.418 3.658 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 565818444 XHDSBMSNYHFQBV-YGRLFVJLSA-N 298.308 3.774 30 20 CHED C[C@H](CCOc1ccccc1C#N)OCc1ccccc1 473674724 JJTLEWLEDDYWGD-OAHLLOKOSA-N 281.355 3.932 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1c1cc(C#N)ccn1 294973667 OPXMMGIMEWOCLP-HOSYDEDBSA-N 283.297 3.509 30 20 CHED CC(C)C(Cn1cccn1)=NNc1ccc2ccccc2n1 802703746 IMLCXVNBFOQVLW-UHFFFAOYSA-N 293.374 3.555 30 20 CHED C[C@@]1(CNC(=O)c2cc(C#N)cs2)C[C@H]1c1ccccc1 569277965 FBFVPMYLCSVVAQ-YOEHRIQHSA-N 296.395 3.543 30 20 CHED C=C(CC)COC(=O)c1cscc1Br 803775459 XANWJKIBSCODAB-UHFFFAOYSA-N 275.167 3.634 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1nc(Cl)c(C#N)s1 804505501 YUQQTJKSHACGTF-BXUZGUMPSA-N 289.791 3.810 30 20 CHED CC#CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 801153946 GDGHHNQCENEDKG-UHFFFAOYSA-N 284.384 3.697 30 20 CHED C#CC[C@H](NC[C@H]1CCC2(CCCC2)O1)c1ccccc1 801530247 ZCNPDKZDYDXJTL-MSOLQXFVSA-N 283.415 3.832 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CC[C@@H]1C1CCC1 814685004 ARDFINSQKLVNNM-LLVKDONJSA-N 259.309 3.573 30 20 CHED c1ccc(C[C@H]2CCC(=NOCc3cccnc3)C2)cc1 814884190 QKWRSUHQPQCUPS-MRXNPFEDSA-N 280.371 3.997 30 20 CHED C=CCC[C@@H](CC)NC[C@]1(C)OCCc2sccc21 562100917 WRYWQRRKWGKGRA-CJNGLKHVSA-N 279.449 3.870 30 20 CHED FC(F)(F)c1cscc1C=Nn1cnc2ccccc21 811636772 NCJNLEMMHQHDHC-UHFFFAOYSA-N 295.289 3.999 30 20 CHED C=CCC[C@@H](CC)NCc1c(OC)cccc1OC 658119234 AFTURXPRVPHJFC-CYBMUJFWSA-N 263.381 3.538 30 20 CHED C=CCCS(=O)(=O)N(CCC)[C@H](CC)c1ccccc1 480957905 WSSKFSICHOAYPE-MRXNPFEDSA-N 295.448 3.756 30 20 CHED C=CCC1(NCc2cscc2Cl)CCOCC1 657633593 RKNHSTKMQAASRY-UHFFFAOYSA-N 271.813 3.616 30 20 CHED Fc1ccc(C=NOCCC2CC2)c2ncccc12 814245789 IIHJBCRPISAYPB-UHFFFAOYSA-N 258.296 3.525 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 574435950 KPPRIQFHIGIWBE-HNNXBMFYSA-N 287.319 3.807 30 20 CHED Cc1nc(NCc2cccc(OC(C)C)c2)ccc1C#N 813588694 XMRVPJLFRCLETJ-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C=C(Br)CN(Cc1ccccc1Cl)OC 810138340 DEIHVKPCSDFSRV-UHFFFAOYSA-N 290.588 3.612 30 20 CHED CCON=C(C)c1sc(Cc2ccccc2)nc1C 814788190 HZQXFYRUKHXIMN-UHFFFAOYSA-N 274.389 3.803 30 20 CHED Cc1nc(N2C[C@@H](c3ccccc3)C[C@H]2C)ccc1C#N 488072026 UCISZJYGLJOPBT-DYVFJYSZSA-N 277.371 3.644 30 20 CHED C=CCC1(NC(=O)c2ncoc2C2CC2)CCCCC1 571497847 ORDVXDASKOFSSA-UHFFFAOYSA-N 274.364 3.561 30 20 CHED C#CCCCCc1nc(-c2ccc3c(c2)CCC3)no1 810321121 FZWICLOTSFEDGK-UHFFFAOYSA-N 266.344 3.571 30 20 CHED COc1ccccc1CON=C(C)c1ccccc1C#N 814923675 MQHJIMJMWXYESM-UHFFFAOYSA-N 280.327 3.508 30 20 CHED C=CCCCN(Cc1c(F)cccc1F)C1CC1 484326914 TXPYOJBMASVINM-UHFFFAOYSA-N 251.320 3.895 30 20 CHED C#CCCCC(=O)OCc1cc(Cl)cc(Cl)c1 811196067 UZKIHLZPQYBKJO-UHFFFAOYSA-N 271.143 3.840 30 20 CHED C=CCCCCCCCNC(=O)c1cnn(C(C)C)c1 811590865 OSQKGSABQRLZQP-UHFFFAOYSA-N 277.412 3.720 30 20 CHED COc1ccc(NN=Cc2c(C)c3ccccc3n2C)cc1 814885294 VKUMFRFZZZRHIF-UHFFFAOYSA-N 293.370 3.941 30 20 CHED COc1ccc(C(CCC(C)C)=NNC[C@H](C)C#N)cc1 814880983 HPWLKQHCRQNGOS-CQSZACIVSA-N 287.407 3.585 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C(F)(F)F)cc1 814815006 IUFXFCABMMUCPP-UHFFFAOYSA-N 279.208 3.855 30 20 CHED CC(C)C(=NNCc1ccc(Br)cc1)C1CC1 726741586 PPCWVZKXZJFVJS-UHFFFAOYSA-N 295.224 3.961 30 20 CHED C=CCC1(C(=O)OC[C@H](C)c2ccccn2)CCCC1 821519827 BHROXOOSCLJUCL-AWEZNQCLSA-N 273.376 3.865 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1cccc(F)c1 727258310 DMJXGXRRJKYXLD-UHFFFAOYSA-N 280.306 3.605 30 20 CHED C=CCCCCNC(=O)Nc1ncc(C(C)C)s1 494915103 BBTFSCRXCYGNPF-UHFFFAOYSA-N 267.398 3.744 30 20 CHED Cc1ccc(NN=C(CCc2ccccc2)C(C)C)nn1 729938188 PWHLKQPHMYJQMM-UHFFFAOYSA-N 282.391 3.842 30 20 CHED CC(C)C[C@@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 578705360 UDXKNVYNFQJOEX-AWEZNQCLSA-N 287.363 3.871 30 20 CHED C=CCn1c(SCCC(C)C)nc2ccccc2c1=O 494042458 SHRKGYYYIUUZHT-UHFFFAOYSA-N 288.416 3.721 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 664556488 WCWSHBZUWXVEMA-ZIAGYGMSSA-N 296.455 3.624 30 20 CHED C=CC[C@H](C(=O)OC[C@]1(C)C[C@H]1F)c1ccccc1 822127197 CQMHVXLBUKTPBW-LZWOXQAQSA-N 262.324 3.638 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@H]1CSc2ccccc21 820905915 ZIYRWEHVDIBWTH-STQMWFEESA-N 275.417 3.594 30 20 CHED CC1=CC(=NNc2ncccc2C(F)(F)F)CCC1 727254912 CKUAVGPDZGAXOB-UHFFFAOYSA-N 269.270 3.999 30 20 CHED Cc1cc(C)c(/C=C/C=C2\C(=O)c3ncnn3[C@H]2C)c(C)c1 905083818 FTAGJZQHIDWBMS-FNOIDGLDSA-N 293.370 3.600 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccn2cc(C)nc2c1 668169206 KVOWJAFOELVMMR-UHFFFAOYSA-N 286.379 3.509 30 20 CHED CCOCC(C)(C)CN[C@@H]1CCCc2cc(C#N)ccc21 588959940 MMGHPMUULQUHBI-QGZVFWFLSA-N 286.419 3.588 30 20 CHED CCCC[C@@H](CCC)NC(=O)NCC(C)(C)CCC#N 499123658 SHGHJDAOCFOJIC-CQSZACIVSA-N 281.444 3.974 30 20 CHED CC(C)c1ccc(NCc2ccc(C#N)cc2)cn1 905433337 XRQYCZSWWKXMRC-UHFFFAOYSA-N 251.333 3.689 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 588425675 NUTCPGTZYMBPJM-XQRVVYSFSA-N 277.663 3.737 30 20 CHED N#Cc1ccc(CNCC2Cc3ccccc3C2)cc1Cl 589517531 JERCCCZVHLVLIP-UHFFFAOYSA-N 296.801 3.716 30 20 CHED CC(=NNc1cc(C)ccc1C)[C@H]1C[C@H]2CC[C@H]1O2 834928948 FEZLVDDPJHNERM-IIAWOOMASA-N 258.365 3.659 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 838514547 QVQANORRWURJRX-QZTJIDSGSA-N 298.430 3.768 30 20 CHED Clc1cnc2oc(C=NN[C@H]3C[C@H]4CC[C@H]3C4)cc2c1 834968218 HVJILPYKBDEJQM-BHDSKKPTSA-N 289.766 3.593 30 20 CHED C[C@@H](NN=C1CCC[C@@H](C(F)(F)F)C1)C(F)(F)F 834998983 ZZIBBKBAYVKIMP-RNFRBKRXSA-N 276.224 3.635 30 20 CHED C=CC[C@@H](CC)Nc1ccc([N+](=O)[O-])c(C(=O)OCC)c1 589600126 KVLLMMHASCUVDA-LLVKDONJSA-N 292.335 3.538 30 20 CHED Fc1ccc(NN=Cc2ccc(OC(F)(F)F)cc2)nc1 731319068 RFZBTERWSONCLZ-UHFFFAOYSA-N 299.227 3.565 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)/C(C)=C/CC 839889970 CSHKROMTHNNTBX-SCZPIIQISA-N 257.377 3.646 30 20 CHED C=C(Cl)CN1CCN(CC(=C)Cl)[C@@H]([C@H](C)CC)C1 839528825 RKDRHUNBRDLKBG-BXUZGUMPSA-N 291.266 3.524 30 20 CHED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1ccc(O)cc1 737445164 YRZNWQXRUAGMCG-QPJJXVBHSA-N 298.729 3.589 30 20 CHED CCCc1ccc(CON=C2CCCOCC2)cc1 588397981 ABGZDZPNBLLZLJ-UHFFFAOYSA-N 261.365 3.712 30 20 CHED C=C(Cl)COC(=O)[C@@H](C)CCc1ccccc1F 745575660 CYJUITQHCCZBFF-JTQLQIEISA-N 270.731 3.690 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)Cc1ccoc1 678861166 YMITVSYXZPCGOU-CYBMUJFWSA-N 264.369 3.556 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2cc(C)cc(F)c2)no1 904544946 AQSROFPSSLMFFQ-CYBMUJFWSA-N 275.327 3.540 30 20 CHED C=CC[C@H](C)NC(=O)/C=C/c1cc(C)c(C)cc1C 735068309 VASIPUVLJJBKHQ-HVHJFMEUSA-N 257.377 3.706 30 20 CHED C=CCCC[C@H](N)c1nc(CC2(C)CCCC2)no1 904720710 DMTAGHDQUASPEE-LBPRGKRZSA-N 263.385 3.549 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)O[C@H]1CCC[C@H](C#N)C1 839049794 SLHFHMGFGWTMGK-INWMFGNUSA-N 289.350 3.630 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(SC(F)F)cc1 834889201 TYTZCKFNZDCYBM-GDLCADMTSA-N 299.386 3.995 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)c1C 734305347 RGOPKXKWKPZNRG-FLIBITNWSA-N 280.323 3.898 30 20 CHED CCc1nocc1/C=C1\COc2c(C)cc(C)cc2C1=O 834417483 QKPXCBFCXNRDDO-NTUHNPAUSA-N 283.327 3.513 30 20 CHED CC[C@@H](C#N)NC(=O)/C(C)=C\c1c(Cl)cccc1Cl 588472374 TZLLIIBUSZENGY-RNKPRXRFSA-N 297.185 3.815 30 20 CHED C=CCC1(NC(=O)/C=C\c2cnc(C)s2)CCCCC1 836956662 JWHGTJOVSDDEMQ-FPLPWBNLSA-N 290.432 3.860 30 20 CHED Cc1cc(Br)ccc1NC(=O)C#CC(C)(C)C 837314103 QBAJJWBZKYSYIK-UHFFFAOYSA-N 294.192 3.746 30 20 CHED Cc1ccc(CC=NNc2oc(C(C)(C)C)nc2C#N)cc1 834949808 NLABEXRPZVOUJJ-UHFFFAOYSA-N 296.374 3.793 30 20 CHED CCC(=NNc1c(C)cccc1Cl)[C@@H]1CCOC1 835010898 KLADUTUXCUUUMX-LLVKDONJSA-N 266.772 3.863 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1C#N 592572122 WGMQXUSIWVDMKF-QWHCGFSZSA-N 256.349 3.569 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 594085243 VMBXLXZFGRVKQI-GXFFZTMASA-N 298.308 3.727 30 20 CHED CC(C)c1nccnc1NN=C1C[C@H](C)CC[C@H]1C 834976700 GWAVJAYWAHOXNN-VXGBXAGGSA-N 260.385 3.824 30 20 CHED C=CCNC(=S)N[C@H](CC(C)(C)C)c1ccc(F)cc1 916024298 NKILCXINAJEEGA-CQSZACIVSA-N 294.439 3.953 30 20 CHED O=C(/C=C1\COc2ccc(F)cc21)c1ccc(F)c(F)c1 918156360 OGCBRTTXFKFCMA-UXBLZVDNSA-N 290.240 3.763 30 20 CHED CSc1ccc(Cl)c(NC(=O)N(C)C[C@@H](C)C#N)c1 596977150 HAOOASXAWHNFEP-VIFPVBQESA-N 297.811 3.685 30 20 CHED CCCC(C)(C)C(=O)[C@H](C#N)c1nc2ccccc2o1 845446900 WATRDAHFBOOBHJ-NSHDSACASA-N 270.332 3.830 30 20 CHED CCN(c1nc(C#N)c(Cl)s1)C1CCCCC1 590568765 COJWNHHYMBAITG-UHFFFAOYSA-N 269.801 3.827 30 20 CHED C=CCN(C(=O)Nc1ccc(Cl)cc1F)C(C)C 916706377 ZLMPXOGBLBOTDX-UHFFFAOYSA-N 270.735 3.907 30 20 CHED Cc1ccc(C=NNCc2cc(F)ccc2F)cc1C 915979445 TXHQBNRBBHYHOF-UHFFFAOYSA-N 274.314 3.705 30 20 CHED C[C@@H](CC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 749035017 NBHAGAVBTIALKE-XJKSGUPXSA-N 270.376 3.584 30 20 CHED CC(C)[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597909866 QTPCEBMOIDLOFV-WBVHZDCISA-N 284.403 3.578 30 20 CHED CCSCCSc1nc2c(cc1C#N)CCCC2 741476020 NXKJGIIHWZGBOB-UHFFFAOYSA-N 278.446 3.677 30 20 CHED C=CCCSCCNC(=O)[C@H](CC)c1ccccc1 597971639 WEYWSQJIAJCKBA-OAHLLOKOSA-N 277.433 3.606 30 20 CHED C=CCN(C(=O)N[C@@H](c1ccccc1)C1CC1)C(C)C 918063440 YPJBPHLOSBXJMV-INIZCTEOSA-N 272.392 3.744 30 20 CHED N#CCCCOC(=O)C1(c2ccccc2Cl)CCC1 845304961 ACBZPGUCLFJGKV-UHFFFAOYSA-N 277.751 3.609 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)C[C@@H](C)C#N 918134726 CKBXZKDGENSPMG-GJZGRUSLSA-N 281.444 3.784 30 20 CHED CO[C@@H](CN1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1 595622887 FJIZICUHSOVFNK-CJNGLKHVSA-N 292.810 3.653 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccnn1CC(C)C)C2 843269627 PYGRRRDJHOLWLM-XNTDXEJSSA-N 280.371 3.670 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)[C@H](CC)Cc1ccc(C)cc1 593489348 QUUMZOSPBPRUGZ-DLBZAZTESA-N 286.419 3.714 30 20 CHED CCC[C@H](CC)NC(=O)CC1(C#N)CCCCC1 596972688 FXROTIRJACWLCU-ZDUSSCGKSA-N 250.386 3.545 30 20 CHED C=CCNC(=S)N(Cc1cccc(C)c1)CC(C)C 745695170 KCPFWQSIGHLWEV-UHFFFAOYSA-N 276.449 3.514 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2ccc[nH]2)cc1 917553028 WSVLRBALYQVQLN-ZDUSSCGKSA-N 255.365 3.823 30 20 CHED CCO[C@@H](CC)c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 596621495 MFKSOTYSPLQGLA-ZNMIVQPWSA-N 297.358 3.700 30 20 CHED Cc1cc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 590780048 APZPNPRHRCJMPA-IBGZPJMESA-N 291.398 3.737 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 744304046 ADLFVGJBOLWVED-LBPRGKRZSA-N 282.767 3.925 30 20 CHED CC1(C)CCC(=NNc2ncc(Br)cn2)CC1 848420666 IGBOTQRUYFMZGZ-UHFFFAOYSA-N 297.200 3.607 30 20 CHED C=CCCN(C)C(=O)NCc1c(Cl)cccc1Cl 682416514 QIGMWGGGYHDYTP-UHFFFAOYSA-N 287.190 3.711 30 20 CHED N#CCC1(COC(=O)c2occc2-c2ccccc2)CC1 744275753 XGHFTCXTLWZJEH-UHFFFAOYSA-N 281.311 3.797 30 20 CHED CCCCCCCCCC(=O)Nc1c2c(nn1C)CCC2 743838815 QZFOVAJUYQQGLB-UHFFFAOYSA-N 291.439 3.988 30 20 CHED N#CCOc1cccc(OC[C@@H]2CCCCC2(F)F)c1 842111015 VLZGUYNVCUJDHT-LBPRGKRZSA-N 281.302 3.793 30 20 CHED C=CC[C@H](C)C(C)=NNc1cccc(C(=O)O)c1C 844623832 MWSSZRXHGZEVID-JTQLQIEISA-N 260.337 3.693 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1CSc2ccccc21 926494528 HUYHLPGCHKDPIU-OLZOCXBDSA-N 274.433 3.794 30 20 CHED CC(C)Oc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851214537 RQOUSXKCMNZRPF-CYBMUJFWSA-N 289.375 3.959 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1(C(F)(F)F)CCC1 851207036 ZTDQPSJGOGZOGJ-SECBINFHSA-N 277.286 3.591 30 20 CHED CCCCCCCC[S@@](=O)Cc1cccnc1OC 857218626 UFMJRAGLMNLIPT-LJQANCHMSA-N 283.437 3.699 30 20 CHED C/C(=C/C(=O)Nc1ccc(CC#N)cc1)c1ccc(F)cc1 921275919 JPWZGTOMYFVYFX-SEYXRHQNSA-N 294.329 3.934 30 20 CHED CC1(C)CC(/N=C\c2cc(Cl)ccc2O)CC(C)(C)N1 920946200 RIQOYWHZYKGCLN-ZDLGFXPLSA-N 294.826 3.774 30 20 CHED COc1cccc(NN=C2CCc3cc(C)ccc32)c1 921258608 KHRDCRLLADTHLC-UHFFFAOYSA-N 266.344 3.766 30 20 CHED CC(/C=C\C(=O)c1ccc(O)cc1O)=C/c1ccccc1 757471616 HNTRQWOGKHCCLO-BXUXAFCHSA-N 280.323 3.940 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)[C@H]1OCCc2sccc21 926471628 AMZDUYZOKBJGJA-TYNCELHUSA-N 292.448 3.668 30 20 CHED C(CCCCOc1ccccc1)=NNc1ccccn1 753955617 QUMVIDIPJNJGLK-UHFFFAOYSA-N 269.348 3.729 30 20 CHED CCOC1CCC(=NN[C@H](C)c2ccccc2)CC1 853293433 FNIJDTMNMZHAFI-JBZHPUCOSA-N 260.381 3.672 30 20 CHED Cc1cc([C@@H](C#N)C(=O)CC2CCC(C)(C)CC2)nc(C)n1 752479162 WZNDBZVGPFIYHL-OAHLLOKOSA-N 299.418 3.876 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccnc(Oc2ccccc2)c1 750648636 YFVVJQKBSAYSFQ-HNNXBMFYSA-N 296.326 3.579 30 20 CHED C#CCCCCNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 758631861 QDBSYOQJOONOFF-HUUCEWRRSA-N 263.425 3.759 30 20 CHED CCc1ccc(C(C)=NNc2oc(C(C)C)nc2C#N)o1 752163768 DEFBRVOVXCQOQO-UHFFFAOYSA-N 286.335 3.661 30 20 CHED CC(=NOCC(F)F)c1ccccc1OC(F)(F)F 758906150 BODXLGQGJAQFHA-UHFFFAOYSA-N 283.196 3.591 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1cnn(C(C)C)c1 756828061 VWRHCJGAKGUMKV-UHFFFAOYSA-N 290.798 3.631 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(CCC#N)CC2CC2)cc1 755326375 JAXXMFCHYDSZMM-CQSZACIVSA-N 284.403 3.966 30 20 CHED C=CCCC(C)(C)NC(=O)C[C@](O)(CC)c1ccccc1 856375248 RYPWJMSHNZIXOT-GOSISDBHSA-N 289.419 3.535 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 933130569 SLMSQBZQEANGQM-YCPHGPKFSA-N 281.440 3.546 30 20 CHED Cc1c(C(=O)N[C@H]2C=CCC2)sc2ccc(C#N)cc12 855433173 QASKWUHJYOJNEV-LBPRGKRZSA-N 282.368 3.530 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1C#N)CC2 755600251 HJOMBQHZOMOYSB-XNTDXEJSSA-N 289.334 3.779 30 20 CHED Cc1ccc(-n2cc(C=NNC3CC3)c(C(C)(C)C)n2)cc1 758133858 SEUWIYOVJTVQGX-UHFFFAOYSA-N 296.418 3.564 30 20 CHED CC[C@@H](SC)C(=O)OCc1ccccc1C(C)(C)C#N 767671117 BCMPZQWILQUXDG-CQSZACIVSA-N 291.416 3.673 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(F)cc2O)ccc1C#N 766492086 UWQSHRMIAYEAON-XVNBXDOJSA-N 281.286 3.608 30 20 CHED Cc1ccccc1CCN(C)C(=O)Nc1sccc1C#N 931836205 CEZDBNRRCUMLBP-UHFFFAOYSA-N 299.399 3.635 30 20 CHED C=CCCCC(=O)Nc1ccc(OCCC)c(OC)c1 863841248 GJDQROIRRAWSFY-UHFFFAOYSA-N 277.364 3.779 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC(Cc2ccc(F)c(F)c2)C1 934421517 GFIHTIWZODOGEI-LBPRGKRZSA-N 293.357 3.568 30 20 CHED C#CCOc1ccccc1-c1noc(-c2ccccc2F)n1 761996274 VHUXPERBIZQAIA-UHFFFAOYSA-N 294.285 3.555 30 20 CHED CCCCCCCNC(=O)c1cc2c(s1)CCOC2 862359184 HEKPYFIMZVKUFB-UHFFFAOYSA-N 281.421 3.521 30 20 CHED CC(=NNCCc1ccccc1F)c1cc(C)oc1C 764721771 JEDLJRGNKUTZGK-UHFFFAOYSA-N 274.339 3.592 30 20 CHED CCCCCCCCCNC(=O)c1ccnn1C(C)C 764754783 KDDQUBWIFGMSKO-UHFFFAOYSA-N 279.428 3.944 30 20 CHED CCC(C#N)(CC)C(=O)OC[C@@H](C)c1ccccc1 860197257 HQFOFSWVURMSIG-CYBMUJFWSA-N 259.349 3.663 30 20 CHED FC(F)(F)[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 761045313 FYTNGTLOKZLKTO-GFCCVEGCSA-N 287.712 3.576 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C/c1cc(Cl)ccc1O)CO2 763097038 NFZMQOHOYVBXAP-PVJNQWLSSA-N 287.746 3.907 30 20 CHED CCCn1cc(/C=C2/C(=O)c3ccccc3[C@@H]2C(C)C)nn1 865224060 ONFIRUBHPZMWTH-KGZWWPETSA-N 295.386 3.708 30 20 CHED C#CCCNc1cc(NC(=O)c2ccccc2)ccc1C 760288566 CZJDQYFVUNUPLA-UHFFFAOYSA-N 278.355 3.683 30 20 CHED Cn1cnc2cc(C=NNc3ccccc3Cl)ccc21 761253030 KGJLTKISDAVRFI-UHFFFAOYSA-N 284.750 3.673 30 20 CHED CCC[C@H](C=NN=C(C)c1cnccn1)c1ccccc1 769586762 SIQRFDCCKZMAOE-MRXNPFEDSA-N 280.375 3.855 30 20 CHED C=CCN(Cc1ccccc1)C(=O)C(F)=C1CCCC1 762601975 CYNGUCRFBZCSOJ-UHFFFAOYSA-N 273.351 3.999 30 20 CHED N#Cc1cc(NC(=O)C2CCC3(CC2)CC3)c(F)cc1F 876347204 DDSZFQWINVDAAM-UHFFFAOYSA-N 290.313 3.745 30 20 CHED C#CCCCCCC(=O)Nc1cc(-c2ccc(C)o2)[nH]n1 775002568 HVUNPSJTAMFQHF-UHFFFAOYSA-N 285.347 3.500 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCc2ccccc2O)c1 772020343 KAWWBSNXLMRSPO-UHFFFAOYSA-N 292.260 3.895 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)c(Cl)n1C 775922912 FUUJPSOMBBWONK-SECBINFHSA-N 289.206 3.807 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 779758436 MDHLNJHHQRWLOQ-AWEZNQCLSA-N 275.367 3.929 30 20 CHED CC1(C(=O)OCc2ccc(C#N)cc2Cl)CC(F)(F)C1 873440954 BCTQEKMSFWKSQK-UHFFFAOYSA-N 299.704 3.690 30 20 CHED C=CC(C)(C)COC(=O)c1c(C(F)F)nc2n1CCCC2 870409915 NQHAYGXSKNGGTM-UHFFFAOYSA-N 298.333 3.526 30 20 CHED C#CCCCCC(=O)OCc1coc(-c2cccs2)n1 773636784 YVVWVHASHQRMDG-UHFFFAOYSA-N 289.356 3.640 30 20 CHED Cc1cccc(C(=O)O[C@@H](C#N)C2CCCCC2)c1 776362078 YPPDUJUCNNYPGW-HNNXBMFYSA-N 257.333 3.624 30 20 CHED C#CCN(Cc1sccc1OC)[C@@H]1CCc2ccccc21 772596892 BRYYUDOFZOWFAG-MRXNPFEDSA-N 297.423 3.879 30 20 CHED CC(C)Oc1ccc([C@H]2CCCC2=NNC[C@@H](C)C#N)cc1 776775054 ALUCSXRZBUFMEY-WMLDXEAASA-N 299.418 3.847 30 20 CHED CC(C)[C@H](NCc1cc(C#N)ccc1F)c1ccccn1 775446618 QCBRWELWTSWTGN-KRWDZBQOSA-N 283.350 3.579 30 20 CHED COc1ccc(/C=C\C(=O)c2cscn2)cc1Cl 776192993 UVISOPHUIURAJG-RQOWECAXSA-N 279.748 3.701 30 20 CHED C#CCCCCCC(=O)N[C@H](C1CCCC1)C(F)(F)F 779982134 RZLQWXUVACJZLX-CQSZACIVSA-N 289.341 3.807 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C)C2)cc1C#N 1124388191 HRMFQJPWTMPWGB-ABAIWWIYSA-N 257.333 3.602 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3cc(C)c(C)o3)cn2c1 789158761 GWBSGGFWKGSLDG-AATRIKPKSA-N 280.327 3.749 30 20 CHED COc1ccc(C(=O)OCC2(C#N)CCCC2)c(Cl)c1 780532634 ZSDWHWAEILSUBN-UHFFFAOYSA-N 293.750 3.589 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@H](C)CC1CCC1 780744301 LIAPTNXVMMYONU-OLZOCXBDSA-N 258.365 3.968 30 20 CHED CCC1(CNC(=O)c2ccc(C)c(C#N)c2)CCCCC1 1127795985 AAEPCJUDQMMQHQ-UHFFFAOYSA-N 284.403 3.957 30 20 CHED CC(Cc1ccccc1F)=NNc1nc2ccccc2n1C 780211833 OYGAVTILHHGYEL-UHFFFAOYSA-N 296.349 3.743 30 20 CHED O=C(/C=C\c1sccc1Cl)c1cscn1 782352304 RUTWSBLQQKQRSN-UPHRSURJSA-N 255.751 3.754 30 20 CHED C=CC[C@H](N[C@H](C)c1ccccc1O)c1ccncc1 783512383 BMVVEPVNSAZSGV-CJNGLKHVSA-N 268.360 3.755 30 20 CHED C=C1CCC(C(=O)Nc2ncc(-c3ccccn3)s2)CC1 890507785 UCFNAPINZCOAIU-UHFFFAOYSA-N 299.399 3.890 30 20 CHED Cc1cc(C#N)ccc1N1CCC[C@H]([C@@H]2CCCCO2)C1 894577878 LZNFOMXRUIFJOT-WMZOPIPTSA-N 284.403 3.652 30 20 CHED C=CCC[C@H](C(=O)N(C)CCCF)c1ccccc1 895297512 YFSZQVBKWLTSBA-HNNXBMFYSA-N 263.356 3.554 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1Cl 782228130 WIZKOYVRKZHQAG-ZDUSSCGKSA-N 298.726 3.515 30 20 CHED Cc1cccc([S@@](=O)CCCCC2(C#N)CCC2)c1 899275343 CELKDHGCSBWCCM-IBGZPJMESA-N 275.417 3.967 30 20 CHED C#CCC1(C(=O)N[C@H]2CCc3ccc(F)cc32)CCCCC1 788205459 SHCKXKNNACOGDM-KRWDZBQOSA-N 299.389 3.903 30 20 CHED C=CCCCCCOC(=O)c1cc(-c2ccccn2)no1 784044578 GCCVJVOCDIUUCW-UHFFFAOYSA-N 286.331 3.640 30 20 CHED CCCCCCCC(=O)Nc1ccc(F)c(C(=O)OC)c1 890567219 SFPTVMGHKCZUDB-UHFFFAOYSA-N 295.354 3.911 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccc(Cl)nc1 783849204 NARJGHOTTZGLRP-MNOVXSKESA-N 251.761 3.959 30 20 CHED C#Cc1cccc(NC(=O)c2occc2C(C)C)c1 785767846 XYEZJGNIQTXDJI-UHFFFAOYSA-N 253.301 3.637 30 20 CHED Fc1ccccc1CCNN=C1CCC2(CC1)CC2 792635657 UZSPAJYYFMFWOQ-UHFFFAOYSA-N 260.356 3.668 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 791205661 VFDORPLKKMJARX-MNEFBYGVSA-N 291.394 3.861 30 20 CHED C=C(Cl)COC(=O)c1ccc(Oc2ccccc2)cn1 799554291 OLFRGJPISFFUJY-UHFFFAOYSA-N 289.718 3.783 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2CCCC[C@@H]2CC)c1 793414918 ZJGRCVVPHODMJW-DOTOQJQBSA-N 269.388 3.847 30 20 CHED C[C@@H]1CC(=NNCc2c(Cl)cccc2Cl)CCO1 793117300 KVVRUGCTYUPLTC-SECBINFHSA-N 287.190 3.638 30 20 CHED C#C[C@H](CCC)NC(=O)N(CC(=C)C)Cc1ccccc1 793074853 MYGHRFPRIUPWKR-QGZVFWFLSA-N 284.403 3.576 30 20 CHED C=CCCCCC[C@H](C)NCCc1cscn1 793534911 QXGGQFMUZVMEDM-ZDUSSCGKSA-N 252.427 3.800 30 20 CHED C=CCOCCOC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 797283499 ORTYFJACJCORLM-ZWKOTPCHSA-N 296.366 3.689 30 20 CHED CC[C@H](C)NN=C1C[C@H](C)Sc2sccc21 790181404 DMRVXJCQGPBQQH-IUCAKERBSA-N 254.424 3.725 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1nc2ccccn2n1 790200225 RPURJDUZSUVFQY-LBPRGKRZSA-N 273.384 3.589 30 20 CHED C[C@@H]1CCC(=NNc2ncccc2F)c2ccccc21 794984930 PLPXOOCSELDPTC-LLVKDONJSA-N 269.323 3.934 30 20 CHED CSCCON=C(C)c1cc(C)ccc1OC(F)F 794576103 CDHGJJBMOGMGLR-UHFFFAOYSA-N 289.347 3.700 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cc(O)ccc1O 799495735 WLUJGEQWIBVTPT-UHFFFAOYSA-N 284.359 3.805 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCc3cc(Cl)ccc32)o1 796154958 VLKLPFOQLMMGPU-ZDUSSCGKSA-N 287.702 3.649 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1csc(O)n1 792073837 DYNMXCAAMAMXFU-LLVKDONJSA-N 284.425 3.575 30 20 CHED C=CCCOC(=O)c1cnn(C(CC)CC)c1CC 791580860 HHQGPROKSCNQMP-UHFFFAOYSA-N 264.369 3.540 30 20 CHED CC(C)(C)C1CCN(N=Cc2cc(F)c(O)c(F)c2)CC1 790179300 VPOUKRUKHUVWQX-UHFFFAOYSA-N 296.361 3.762 30 20 CHED N#Cc1cc(NC2CCCC2)ccc1OC(F)(F)F 799348281 ITNRQUTWWXAJCX-UHFFFAOYSA-N 270.254 3.811 30 20 CHED C[C@@H]1CC/C(=C\C(=O)[C@H](C#N)c2cnc3ccccc3n2)C1 792100190 LKOLRZUZJREVDZ-QGBLLJAOSA-N 291.354 3.552 30 20 CHED CC[C@H](C)CON=Cc1cn(CCC#N)c2ccccc12 793144708 FTKAXALSFWMKIV-AWEZNQCLSA-N 283.375 3.952 30 20 CHED CC(=NOCCC(F)(F)F)c1c(C)cc(C)cc1O 799885912 PUDHADNFTGQBFH-UHFFFAOYSA-N 275.270 3.702 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1C 44385080 WNUNJAYBTKEFLB-UHFFFAOYSA-N 256.349 3.716 30 20 CHED CC(C)(C)C1CCC(CNc2n[nH]cc2C#N)CC1 1308397994 KQAWBPXANZIZBU-UHFFFAOYSA-N 260.385 3.546 30 20 CHED C=C(Br)CN1CCC[C@]1(C)Cc1ccccc1 1168968778 NVOAUDLMCNNSDX-OAHLLOKOSA-N 294.236 3.992 30 20 CHED CC1(C)CC[C@H](CN=c2cc[nH]cc2C#N)c2ccccc21 1162832543 DFCNYZLOSVHLOA-CQSZACIVSA-N 291.398 3.642 30 20 CHED Cc1nc(C#N)cc(NC[C@H]2CCCC[C@H]2C(C)(C)C)n1 1162352284 YGYSOGMKSNFZHP-UKRRQHHQSA-N 286.423 3.921 30 20 CHED Cc1nsc(NCC[C@H]2CCCC[C@H]2C)c1C#N 1162516104 YDTBEQYTSCOSEI-ZYHUDNBSSA-N 263.410 3.952 30 20 CHED O=C(CC#Cc1ccccc1)N(CC(F)F)c1ccccc1 1319134310 OKAQOTMBUMSQRW-UHFFFAOYSA-N 299.320 3.727 30 20 CHED C[C@@H]1CC[C@@H](Cc2nnc(-c3cccc(C#N)c3)o2)C1 1322411119 BBSBOTDFPVYUTA-VXGBXAGGSA-N 267.332 3.587 30 20 CHED C=CCN(C(=O)c1occ(C)c1C)c1ccccc1 1323395062 JVLWZSMADWMOIX-UHFFFAOYSA-N 255.317 3.729 30 20 CHED C#CCOc1ccc(NC(=O)c2ccc(CC)s2)cc1 731012268 JTTJOXGXIBQXPV-UHFFFAOYSA-N 285.368 3.575 30 20 CHED C=CCCCN1CCCC[C@H]1[C@H](O)c1ccccc1 735490075 CEUPLCBEIKMNTI-DLBZAZTESA-N 259.393 3.541 30 20 CHED CC1(C)CCC(=NNc2ccc(C(C)(C)C)nn2)C1 1320884779 ALLQRMTXESNRIF-UHFFFAOYSA-N 260.385 3.752 30 20 CHED C[C@H]1CC(C(=O)Nc2ccc(OCC#N)cc2)C[C@H](C)C1 1323582216 KNERYILGBMKVML-CHWSQXEVSA-N 286.375 3.600 30 20 CHED CC(C)c1ncc(CNCc2cc(C#N)ccc2F)s1 758484751 VGHWTULXVQAITI-UHFFFAOYSA-N 289.379 3.567 30 20 CHED Cn1ccc(NN=Cc2ccc(-c3ccccc3)s2)n1 1321825363 KSHMPZSWIJZLRV-UHFFFAOYSA-N 282.372 3.595 30 20 CHED CCCCCCCCCCC(=O)NC1(C)CCNCC1 193356259 ZVWNRRIWJQDIHE-UHFFFAOYSA-N 282.472 3.776 30 20 CHED Cc1nc(N(CCC#N)CC(C)(C)C)c(Cl)cc1C#N 594568823 HNIKKUZDGCBIAA-UHFFFAOYSA-N 290.798 3.681 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1ncc(C(C)(C)C)o1 1252511353 LXTBPFGZHWHQGL-JTQLQIEISA-N 292.408 3.603 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CNCc1ccc(C#N)cc1 775306507 MGKQACDCUPNHIJ-WMLDXEAASA-N 254.377 3.640 30 20 CHED Clc1cccc(NN=Cc2cccc3cn[nH]c23)c1 1339432758 KNUVIFURJGEDTR-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CCc1nnc(-c2ccc(C#Cc3ccccc3)cc2)o1 1255132716 UOPPJMKSXCFQCU-UHFFFAOYSA-N 274.323 3.699 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 1336994069 UDZCAEPYZJQAIE-CQSZACIVSA-N 298.386 3.890 30 20 CHED C[C@@H]1CCCC[C@@H]1c1nnc(-c2cccc(C#N)c2)o1 1349987322 VLPQCSQBQKHAEY-RISCZKNCSA-N 267.332 3.902 30 20 CHED Cc1ccc(F)cc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 1264224137 LIIBZBZKWVYXDC-CYBMUJFWSA-N 296.345 3.823 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)c1cccc(C)c1 1354296907 SJBCSMPXMZJERA-UHFFFAOYSA-N 278.355 3.842 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CCSc2ccccc21 1343950130 FDBPKASQBOXRJL-GFCCVEGCSA-N 275.373 3.707 30 20 CHED C=CCCCCNC(=O)Nc1c(C)sc(C)c1C(=O)O 1602870095 IOYRHINTHIWMBI-UHFFFAOYSA-N 296.392 3.541 30 20 CHED C[C@H]1CCCC[C@H]1NC1CCN(c2ccccc2C#N)CC1 1462483717 JNUJJABVSUMOMR-MAUKXSAKSA-N 297.446 3.695 30 20 CHED Cc1cccc(Cl)c1C(=O)N1CCc2c(C#N)cccc21 1536866296 GVRGAJNKHPMNRL-UHFFFAOYSA-N 296.757 3.723 30 20 CHED N#Cc1ccc(CCC(=O)Nc2cscc2Cl)cc1 1537294926 KAAGXHQHZYXCOH-UHFFFAOYSA-N 290.775 3.844 30 20 CHED O=C(O)c1c(F)cccc1NN=Cc1sccc1Cl 1610805689 AMCYEVLEMFBWMJ-UHFFFAOYSA-N 298.726 3.685 30 20 CHED CCc1ccc2c(c1)CN(c1c(C#N)cccc1C#N)CC2 1472905112 KJPYNUFKWCYVCO-UHFFFAOYSA-N 287.366 3.555 30 20 CHED CCSCc1ccc(Nc2ccc(C#N)cn2)cc1 1472784995 JBLPJQJILRUQMY-UHFFFAOYSA-N 269.373 3.950 30 20 CHED CCCC[C@H]1CCC[C@@H]1Nc1cc(C#N)nc(CC)n1 1472685003 JWTLNBPMNMRQKU-JSGCOSHPSA-N 272.396 3.681 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1C#N 1636705902 RVUCDCDKBZNVFK-CHWSQXEVSA-N 288.366 3.644 30 20 CHED N#Cc1ccc(CNCc2nc(Cl)cs2)cc1Cl 1560781836 BXOSPQCKZIAYJL-UHFFFAOYSA-N 298.198 3.611 30 20 CHED Cc1nc(N2CC[C@H](C(C)(C)C)C[C@@H]2C)ccc1C#N 1642746198 QPIJVOWGTKJJDB-WFASDCNBSA-N 271.408 3.913 30 20 CHED CC(=O)c1ccc(Oc2ncccc2C#N)cc1Cl 1655879160 WWZJPHDSXQFHFV-UHFFFAOYSA-N 272.691 3.602 30 20 CHED C[C@@H]1C[C@@H](N=c2cc[nH]cc2C#N)C[C@H](c2ccccc2)C1 1651143600 DLJCLIOZBISYSL-YXJHDRRASA-N 291.398 3.759 30 20 CHED CC[C@H]1CCCC[C@@H]1CNc1cc(C)c(C#N)cn1 1651897135 MNNVYNZHIUHRLO-UONOGXRCSA-N 257.381 3.890 30 20 CHED C[C@@H]1CCC[C@@H](NCCc2ccc(C#N)cc2)[C@@H]1C 1654217576 BWYXOWVFPVMMHU-CKEIUWERSA-N 256.393 3.515 30 20 CHED CCN(C/C=C\c1cc(C)c(C)cc1C)CCC#N 1652100512 IYVGJYSHAJGGTN-VURMDHGXSA-N 256.393 3.861 30 20 CHED Cc1cc(=N[C@H]2CCC[C@H](c3ccccc3)C2)c(C#N)c[nH]1 1655453041 YMULGMIVHMYAOS-WMZOPIPTSA-N 291.398 3.822 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccsc1C#N 1584834951 YDIVAXZMHRGXPS-VXGBXAGGSA-N 276.405 3.564 30 20 CHED C=CCCC[C@H](NC1CC(C(=O)O)C1)c1ccccc1 1588458081 KBICGKNHRMKURJ-GPANFISMSA-N 273.376 3.537 30 20 CHED CCCc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 1583559585 OUNZOHWENMBQBQ-GOEBONIOSA-N 271.360 3.878 30 20 CHED CC1CC(CN2CCC(c3ccc(C#N)cc3)CC2)C1 1660381389 DWIYJYJOXAUPMP-UHFFFAOYSA-N 268.404 3.784 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@H](C(F)(F)F)C2)cc1 1776014108 GZPKQQTWVWJJQW-VIFPVBQESA-N 286.253 3.515 30 20 CHED C=CCc1ccccc1CN(CC(=O)O)C1CCCCC1 1776189056 FHAJJACUJUXSMV-UHFFFAOYSA-N 287.403 3.634 30 20 CHED N#Cc1cccc(NC(=O)c2ccc3ccccc3c2O)c1 11372380 LXNGRIJPRLEEEO-UHFFFAOYSA-N 288.306 3.669 30 20 CHED Cc1cccc2nc(CSc3cccc(C#N)c3)cn12 158663376 LOLJRXCZYYZGOB-UHFFFAOYSA-N 279.368 3.807 30 20 CHED C=CCC[C@@H](NC(=O)CO[C@@H](C)CC)c1ccccc1 152154926 KPDGAEWWUZMIRR-GOEBONIOSA-N 275.392 3.625 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 155167728 JDJMTAMZCJQAJD-HIFRSBDPSA-N 275.392 3.624 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 156266065 IPHIOBYZEXBTMK-QAPCUYQASA-N 298.430 3.918 30 20 CHED C[C@H](Nc1ccc(F)cc1OCC#N)c1ccc(C#N)cc1 155429745 MEWIOGJCRBCOPT-LBPRGKRZSA-N 295.317 3.773 30 20 CHED C#CCCCOC(=O)c1cc(-c2ccccn2)ccc1Cl 155924859 BDRDPLXVHTUNST-UHFFFAOYSA-N 299.757 3.972 30 20 CHED C=CCCCCCN(C)C(=O)c1ccccc1OC 156800847 FZTJONLOBJBDQN-UHFFFAOYSA-N 261.365 3.514 30 20 CHED CC[C@@H]1CC[C@H](C)N1c1nc(C(F)(F)F)ccc1C#N 124486587 HXNLKSHIAXNKIB-GXSJLCMTSA-N 283.297 3.739 30 20 CHED N#Cc1ccc(F)c(CN2CC[C@H]3CCCC[C@@H]3C2)c1 25432110 XPJUEDMOBIDFJA-HUUCEWRRSA-N 272.367 3.709 30 20 CHED C[C@@H]1CCC[C@@H](NCc2cccc(OCC#N)c2)[C@@H]1C 37214799 USIMEYMCLGQEPT-CKEIUWERSA-N 272.392 3.503 30 20 CHED C[C@H]1CCCC[C@@]1(C)NCc1ccc(F)c(C#N)c1 308715095 ONZVVXJTTJTUSB-BLLLJJGKSA-N 260.356 3.756 30 20 CHED C=CCCCN(C)Cc1cccc(Br)c1 404211185 PUZNLGKTBOVUGI-UHFFFAOYSA-N 268.198 3.847 30 20 CHED C[C@@H](NCC1(C(F)(F)F)CCC1)c1cccc(C#N)c1 507236198 XILTVWSBQZDMDU-LLVKDONJSA-N 282.309 3.941 30 20 CHED CN(Cc1cccc(O)c1)Cc1ccc(C#N)cc1Cl 526135674 PUPMTWUOQKNESR-UHFFFAOYSA-N 286.762 3.549 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(O)ccc1Cl 620857243 UCUSEFVVUKQSMX-UHFFFAOYSA-N 267.756 3.520 30 20 CHED N#CCc1ccc(NC(=O)c2cc(F)ccc2Cl)cc1 335918341 ZRSPFJYMJNRDNK-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CC1(C)CCCC[C@@H]1NCCc1cccc(C#N)c1 576561994 ASCAMSGMIOAXLE-INIZCTEOSA-N 256.393 3.659 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)cn1 710096276 QHDVGVAQBIHJEJ-NSHDSACASA-N 287.750 3.810 30 20 CHED C=CCC(C)(C)CNC1CCN(c2ccccc2)CC1 380797474 XVKNWWAVDVSMOA-UHFFFAOYSA-N 272.436 3.847 30 20 CHED CC(C)C[C@H]1CCCN1Cc1ccc(C#N)cc1F 396894034 YFQRJFKTIQEROK-OAHLLOKOSA-N 260.356 3.708 30 20 CHED Cc1cc(C)cc(OCc2ccc(CC#N)cc2)c1 399144167 WGKQUQVLVUDBES-UHFFFAOYSA-N 251.329 3.949 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C)cc1Br 7517602 HTKWZXKMYSIXTJ-UHFFFAOYSA-N 299.237 3.620 30 20 CHED COc1cccc(/C=N/CC2(c3ccccc3)CC2)c1O 11114928 JEAZPUYENNHIQM-XDHOZWIPSA-N 281.355 3.552 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 22137353 VABYBTICEPWMRF-OAHLLOKOSA-N 293.326 3.808 30 20 CHED C#Cc1cccc(NCC(=O)Nc2ccc(C)cc2Cl)c1 23901752 GIHODHUOEKGRMF-UHFFFAOYSA-N 298.773 3.680 30 20 CHED Cc1ccc(O)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 25437857 BRGHCHYPACBMJX-UHFFFAOYSA-N 294.354 3.754 30 20 CHED Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)o1 36960215 JSAGYLDPOCXFLP-QWHCGFSZSA-N 254.333 3.872 30 20 CHED C[C@H](NCc1cccc(F)c1)c1ccc(OCC#N)cc1 37246766 CMINWQAPROTPRB-ZDUSSCGKSA-N 284.334 3.579 30 20 CHED C=C(Br)CNCc1cccc(C(F)(F)F)c1 37680957 GDGSCZYICQZVNK-UHFFFAOYSA-N 294.114 3.704 30 20 CHED N#C[C@H](NC(=O)CCCc1ccccc1)C1CCCCC1 40360117 INJNOFAEAKGAKT-KRWDZBQOSA-N 284.403 3.598 30 20 CHED C#Cc1cccc(NC(=O)Cc2ccccc2Cl)c1 41636826 OIVDAMFUHMUHGB-UHFFFAOYSA-N 269.731 3.503 30 20 CHED C[C@@H]1CCC[C@H](Nc2nc3c(cc2C#N)CCC3)[C@@H]1C 42245911 INWVXTIRTVIRQY-JMSVASOKSA-N 269.392 3.679 30 20 CHED C[C@H]1CCCC[C@H]1CNCc1cccc(OCC#N)c1 42858810 AQEOKFLQTSRVIG-HOCLYGCPSA-N 272.392 3.505 30 20 CHED CSc1ccccc1NC(=O)NCc1cccc(C#N)c1 43318462 FFQHQVIPCPIILL-UHFFFAOYSA-N 297.383 3.602 30 20 CHED CCCOc1ccccc1NC(=O)Nc1ccc(C#N)cc1 45029234 OTEVZVGUMNFJEN-UHFFFAOYSA-N 295.342 3.991 30 20 CHED N#Cc1c(Cl)cccc1N1CCc2ccccc2C1 48935063 QULIZMOLLOMUJR-UHFFFAOYSA-N 268.747 3.774 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc(COC)c2)c1 55723197 QPPKEFQJQATXGK-UHFFFAOYSA-N 297.354 3.650 30 20 CHED C=CCN(CCOCCCC)Cc1cccs1 56267731 KBYNLSPAMFEEKF-UHFFFAOYSA-N 253.411 3.553 30 20 CHED CC(=O)Nc1ccc(Cl)cc1NCc1ccc(C#N)cc1 58469698 CDTLXTSCJZNKMG-UHFFFAOYSA-N 299.761 3.782 30 20 CHED C=CCNC(=O)CS[C@@H](C)c1cccc2ccccc12 67994550 ILRHXENJVIWDCZ-ZDUSSCGKSA-N 285.412 3.936 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](CC)c1cccc(Cl)c1 69343547 UTYLVRIDFSUUFV-WFASDCNBSA-N 295.810 3.889 30 20 CHED CCCCC1CCC(C(=O)NCCCCC#N)CC1 70940620 AOSOMNOIKODOPK-UHFFFAOYSA-N 264.413 3.793 30 20 CHED C[C@H]1CN(CCOc2cccc(C#N)c2)c2ccccc21 71952429 KZAWTYYKJXRZAH-AWEZNQCLSA-N 278.355 3.561 30 20 CHED C=CCOc1cccc(NC(=O)c2ccncc2Cl)c1 73050635 LNCMJRGDHPFYHV-UHFFFAOYSA-N 288.734 3.552 30 20 CHED N#CCCCSc1nccn1-c1cccc(Cl)c1 73506350 LQIFJOVGVVIIRR-UHFFFAOYSA-N 277.780 3.922 30 20 CHED CCc1ccc(CC)c(NC(=O)c2ccc(C#N)c(C)n2)c1 75365808 PAYBKDXMKBHCMZ-UHFFFAOYSA-N 293.370 3.639 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1OC(C)(C)C 80323296 OTEATLDKKYASJO-UHFFFAOYSA-N 291.391 3.785 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2ccncc2)c1 83202089 DIKFXPLPJHUMCL-VOTSOKGWSA-N 267.328 3.765 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(C#N)cs1 84073013 KGRGMTSMHDAQFW-JTQLQIEISA-N 288.347 3.592 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1snc(Cl)c1C#N)CO2 92684687 IYKGEYVIXRZTGS-SNVBAGLBSA-N 291.763 3.522 30 20 CHED C=CC1CCN(Cc2cccc(Br)c2O)CC1 93359258 YIGYHISHQRBXEN-UHFFFAOYSA-N 296.208 3.553 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 102247097 XXMNIWMWMFZMTL-OAHLLOKOSA-N 283.375 3.501 30 20 CHED C#Cc1cccc(N(C)C(=O)c2c(C)[nH]c3ccccc23)c1 103102633 GNBOSSRLJVHWEM-UHFFFAOYSA-N 288.350 3.734 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 109506573 LQNROEBYVKRBQJ-LLVKDONJSA-N 276.311 3.838 30 20 CHED C#CCCOc1ccc(CNCc2ccc(C)cc2)cc1 113313254 XMRFOPHRHAJCFA-UHFFFAOYSA-N 279.383 3.687 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)CC1CCCCC1 114322742 UFUBLJZMFZUFNK-XJKSGUPXSA-N 264.413 3.647 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl 116863525 FNUHOKZZUGHSQY-MRVPVSSYSA-N 258.148 3.688 30 20 CHED C#CCCCCC(=O)Nc1cccc(N2CCCCC2)c1 119698598 MIGVTDIYNMQWKB-UHFFFAOYSA-N 284.403 3.809 30 20 CHED CO[C@@H]1CCC[C@H]1/N=C/c1c(O)ccc2ccccc12 121053845 LIYXASQRUQIQGC-NOPJKMJJSA-N 269.344 3.532 30 20 CHED CCN(CC#N)[C@H](C)c1cccc(C(F)(F)F)c1 123294942 UGDSGCBUPUWRIR-SNVBAGLBSA-N 256.271 3.612 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1oc2ccc(Cl)cc2c1C 127419477 OCVAXHULQYWQKT-HNNXBMFYSA-N 290.750 3.817 30 20 CHED Cc1c(C(=O)/C=C/c2cccs2)cccc1[N+](=O)[O-] 130057021 XTCUXQGSMQFAMP-BQYQJAHWSA-N 273.313 3.861 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 134389056 JMCIBFAKWOPDSU-BBRMVZONSA-N 285.391 3.991 30 20 CHED C=CCNC(=S)N(CC)[C@@H](C)c1cc2ccccc2o1 138652491 KXKHKZJFFLJNEN-LBPRGKRZSA-N 288.416 3.876 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)oc1C 151291063 IEKQJJAGDVKTNA-UHFFFAOYSA-N 285.347 3.577 30 20 CHED C=CCCS[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 151986938 AUDWBMRDUMJZQB-QWHCGFSZSA-N 275.417 3.662 30 20 CHED CC(C)c1ccc([C@H](NC(=O)CC#N)c2cccs2)cc1 153519471 PELFPEGLVGVGRD-KRWDZBQOSA-N 298.411 3.991 30 20 CHED CCn1cc(CC(=O)O[C@H](C#N)C(C)(C)C)c2ccccc21 154549453 MFXJPEQDJUWQIL-MRXNPFEDSA-N 298.386 3.685 30 20 CHED C=C(C)CNC(=O)Nc1ccc(-c2nccs2)cc1 156187265 LRIZPZJDUUSVDJ-UHFFFAOYSA-N 273.361 3.508 30 20 CHED CC#CCCN(Cc1cccc(C)c1)Cc1ccccn1 156647596 LUAYIOAELHMWNJ-UHFFFAOYSA-N 278.399 3.806 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(F)cc1C#N)C(C)C 160500674 RADKOPCUZUMNFY-CYBMUJFWSA-N 262.328 3.708 30 20 CHED C=CCN(C)C(=O)c1csc(-c2ccc(Cl)s2)n1 161453839 XHDRHAITOKEGJF-UHFFFAOYSA-N 298.820 3.783 30 20 CHED C=CCN(C)C(=O)c1ccccc1COc1ccccc1 161662648 BWXXIHPNLGGIAR-UHFFFAOYSA-N 281.355 3.524 30 20 CHED C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C 164483321 OVJZYZQCBDAZQL-UWVGGRQHSA-N 268.282 3.669 30 20 CHED CC1(C)CC(NCc2ccc(C#N)o2)CC(C)(C)C1 165232954 CHZMNZVIIRGJCZ-UHFFFAOYSA-N 260.381 3.846 30 20 CHED N#CCCCCNC1(c2ccc(Br)cc2)CC1 170871974 QWGRGBWABWDTBK-UHFFFAOYSA-N 293.208 3.722 30 20 CHED C#CCCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 172939775 CMVSTHDNPQKDIZ-NEPJUHHUSA-N 296.197 3.627 30 20 CHED C=CCCCSCCC(=O)NCc1ccc(F)cc1 173828789 FJUFPPCIEUDAAA-UHFFFAOYSA-N 281.396 3.531 30 20 CHED N#Cc1ccc(CNC[C@H]2C[C@@H]2c2ccccc2)s1 176967951 QWJAGUXWPXKKKL-CZUORRHYSA-N 268.385 3.513 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc(F)c(Cl)c2)CC1 177909567 YQGQVFKXVKACBP-LBPRGKRZSA-N 296.817 3.780 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(O[C@@H](C)CC)cc1 178855698 MIOMXUYEDZDJFG-AWEZNQCLSA-N 273.376 3.678 30 20 CHED Cc1c(C(=O)O[C@H]2CC[C@H](C#N)C2)oc2c(C)cccc12 179898152 NWWKMRYBGIWCFJ-STQMWFEESA-N 283.327 3.899 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)C1(C)CCCCCC1 180435092 USCNBZMHBWTYIF-UHFFFAOYSA-N 284.403 3.877 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCCOCC1 182699243 LDUOVOXBVXLTLN-AXLKIAQESA-N 288.174 3.687 30 20 CHED CC(C)(C)C[C@H](NC(=O)c1ccc(C#N)cc1)C(F)(F)F 183006641 KYDJQYYTEWMDMF-LBPRGKRZSA-N 298.308 3.655 30 20 CHED C[C@@H](C#N)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1 183822532 FAWYASVRAPHGEQ-VIFPVBQESA-N 297.185 3.518 30 20 CHED CCSc1ccc(Cl)cc1C(=O)N[C@@H](CC)CC#N 183904888 JQRKOXYYWAADEN-NSHDSACASA-N 296.823 3.874 30 20 CHED CC#CCNC(=O)Nc1cccc(CSC(C)C)c1C 186614060 LEDLBGJFDQWFDO-UHFFFAOYSA-N 290.432 3.781 30 20 CHED CCN(Cc1ccccn1)Cc1ccc(Cl)cc1C#N 187156051 RYUCGDNUULAVQR-UHFFFAOYSA-N 285.778 3.629 30 20 CHED C[C@@H](CC1CCCCC1)CN(CCC#N)CCC#N 187359072 SNXVYCSYOVESQW-HNNXBMFYSA-N 261.413 3.722 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 188593850 GWLOXUWGKPGEBV-MAUKXSAKSA-N 289.419 3.709 30 20 CHED C=CCC1(C(=O)NCc2ccccc2Cl)CCC1 190368202 SKUVOENJHDLIJJ-UHFFFAOYSA-N 263.768 3.703 30 20 CHED Cn1cc(CN[C@H](c2ccccc2)C2CCC2)cc1C#N 190950224 YCHFGBXGEMOUCT-GOSISDBHSA-N 279.387 3.528 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1cn(C(C)(C)C)nn1)C2=O 191334504 DBOCCWQOOUUTRM-ZENNRRHLSA-N 295.386 3.725 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Oc1cnc2ccccc2c1 191859611 IURDFQOCRNGTTH-UHFFFAOYSA-N 291.266 3.807 30 20 CHED C#CCCCC(=O)N[C@H](C)CC(C)(C)c1ccccc1 192092954 WHRXLMKAILGWRN-OAHLLOKOSA-N 271.404 3.663 30 20 CHED C=C(Br)CNc1nnc(-c2ccccc2)s1 195128029 LLGZCEHMZLAYRZ-UHFFFAOYSA-N 296.193 3.526 30 20 CHED CC(C)[C@H](Nc1ncccc1C#N)c1ccccc1 198928830 YTJYNWHKDQZYOC-HNNXBMFYSA-N 251.333 3.762 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1 213897873 WRAQQUVNZWBWLE-CLFYSBASSA-N 280.323 3.874 30 20 CHED C#CCOc1ccccc1CNC[C@@H]1C[C@H]1c1ccccc1 236688125 NKLDGNWGYMMYJQ-OALUTQOASA-N 291.394 3.592 30 20 CHED C=CCN(C(=O)c1cccc(COC)c1)c1ccccc1 247821443 DFAHZOTYBHFTAV-UHFFFAOYSA-N 281.355 3.666 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H](c2ccccc2)O1 249942434 WVZHXDLYXNYGBD-BEFAXECRSA-N 292.382 3.520 30 20 CHED Cc1cc2cc(/C=C\C(=O)c3cn(C)nc3C)oc2cc1C 255397309 NPYUNBNQTYTEPL-WAYWQWQTSA-N 294.354 3.988 30 20 CHED CON=Cc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1 255670319 DGIVBSQXFPKGAT-UHFFFAOYSA-N 296.370 3.844 30 20 CHED C[C@@H](CC#N)N(C)C(=O)[C@@H](C)Sc1ccccc1Cl 264066295 NATWFEQUHZIYNF-WDEREUQCSA-N 296.823 3.581 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2ccccc2Cl)no1 264621303 QSKPJNHLYZFTDR-NSHDSACASA-N 292.766 3.968 30 20 CHED Cc1nc(-c2ccc(OCCCC(C)(C)C#N)cc2)no1 267067406 RTQHIWGMTKZDDY-UHFFFAOYSA-N 285.347 3.754 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1 270217185 GUSFIBIBKMSLMD-GOSISDBHSA-N 296.414 3.938 30 20 CHED C#CCOc1ccccc1CN[C@@H](CCC)c1cccnc1 273530897 WHIVIWOMKNBWFE-SFHVURJKSA-N 294.398 3.725 30 20 CHED C=CCC[C@@H](NC1CCN(C2CC2)CC1)c1ccco1 276421264 HLTVTPUKSXSVMU-MRXNPFEDSA-N 274.408 3.503 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1cccc(Cl)c1Cl 284920885 IONHCGLPHBWKEN-AWEZNQCLSA-N 299.201 3.892 30 20 CHED CCc1[nH]ccc1C(=O)Nc1cccc(OCCCC#N)c1 285106052 OGAWDFNZWDEYOD-UHFFFAOYSA-N 297.358 3.512 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CC=CC[C@H]1C 285582432 WRWBDZGHTJNSEF-ZIAGYGMSSA-N 262.397 3.567 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@](C)(C#N)CC 285621048 YATYPHSIXAMXNT-ZBFHGGJFSA-N 292.810 3.717 30 20 CHED CCN(CCOC1CCC1)[C@H](C)c1ccc(C#N)cc1 287364440 PVRKXWULLAFJTE-CQSZACIVSA-N 272.392 3.510 30 20 CHED C[C@@H](CNC(=O)CCCC#N)c1c(Cl)cccc1Cl 291703508 NWJDZQHQAZSKOR-JTQLQIEISA-N 299.201 3.907 30 20 CHED C=CC(C)(C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 296018443 YXOGOWWDCLJSMO-JSGCOSHPSA-N 275.367 3.742 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(Cl)cc2OC)no1 296657476 DXZAJKPFVDZIII-UHFFFAOYSA-N 278.739 3.862 30 20 CHED C[C@@H](c1cccs1)N(C)c1ccc(C#N)cc1[N+](=O)[O-] 301107662 UVDWTGFHVITJTB-JTQLQIEISA-N 287.344 3.725 30 20 CHED C[C@@H]1CCC[C@H](N(C)c2ccc(Cl)c(C#N)n2)C1 301165665 HNCCEAOVJJONTJ-MNOVXSKESA-N 263.772 3.622 30 20 CHED N#Cc1cccc(Cl)c1N1CCc2ccccc2C1 301199068 LPZZHRYUPFWLGM-UHFFFAOYSA-N 268.747 3.774 30 20 CHED Cc1ccccc1[C@@H](O)CNc1ccc(C#N)c(Cl)c1 301220899 BPGYQUJIGCIMGS-INIZCTEOSA-N 286.762 3.666 30 20 CHED N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H]2OCC[C@@H]12 301650132 JJUXOBYOJBRPDF-GZBFAFLISA-N 276.767 3.581 30 20 CHED CC(C)CCN(CCC#N)c1nc2ccccc2o1 301759956 ZNZXKZCXBGHWBO-UHFFFAOYSA-N 257.337 3.594 30 20 CHED Cc1ccc2c(c1)CCN(c1ccc(C#N)cc1F)C2 302729005 QSPCQAUXGMWRRY-UHFFFAOYSA-N 266.319 3.569 30 20 CHED N#CCc1cccc(NC(=O)c2cccc(F)c2Cl)c1 313471922 ZSLXVFLZYBDOIT-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CC(C)CN(CCC#N)C(=O)Cc1ccc2ccccc2c1 314991417 VMUQJSRBEWCTGT-UHFFFAOYSA-N 294.398 3.781 30 20 CHED Cc1cccnc1N=C(O)c1coc(C2CCCC2)n1 328827959 TZGAUVBMNRJWJF-UHFFFAOYSA-N 271.320 3.672 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1/N=C(/O)[C@H]1CCCC(O)=N1 328833136 WAIRWQMKBJLAEU-IJLUTSLNSA-N 266.385 3.667 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C[C@H]2CCC[C@@H](C)C2)C1 328833522 LPUFAPCIHWWRQP-VOAKCMCISA-N 266.385 3.524 30 20 CHED OC(CC1CCCCCC1)=Nc1nncn1C1CC1 329097773 CJZQKKIJPGLHEU-UHFFFAOYSA-N 262.357 3.562 30 20 CHED N#Cc1ccc(N=C(O)[C@@H]2CCCSC2)cc1Cl 329791005 DFNJUTBYJLOUFO-SNVBAGLBSA-N 280.780 3.943 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1/N=C(/O)c1csc(O)n1 329909598 MPQUGCSXWJBBKV-NXEZZACHSA-N 282.409 3.758 30 20 CHED OC(=Nc1cccc(-c2nnco2)c1)[C@@H]1CC12CCCC2 329987756 GLVXRHYOAXMDTK-ZDUSSCGKSA-N 283.331 3.905 30 20 CHED C/N=C(/O)c1cc(NC(=O)[C@H](C)C(C)(C)C)ccc1Cl 330801474 HVPFYDPMJVEOGE-VIFPVBQESA-N 296.798 3.895 30 20 CHED CCOC(C)(C)C/N=C(/O)Nc1ncc(C(C)(C)C)s1 331300321 QQYCQJJBQVORFY-UHFFFAOYSA-N 299.440 3.582 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)CC(C)C 331421071 FBYNXGBHXCXSKZ-JZXOWHBKSA-N 284.403 3.543 30 20 CHED CC(C)c1ccoc1C(=O)Nc1ccc(F)c(C#N)c1 334298141 DNNGQNLUBYEFHN-UHFFFAOYSA-N 272.279 3.666 30 20 CHED Cc1csc(NC(=O)c2ccc(Cl)cc2F)c1C#N 334408451 JBYFSZZTDPLYBW-UHFFFAOYSA-N 294.738 3.973 30 20 CHED CCN(C(=O)[C@]12CCC[C@@H]1C2)c1ccc(C#N)c(Cl)c1 335071345 CCXMBIWJISRMDU-WBMJQRKESA-N 288.778 3.755 30 20 CHED CC1(C#N)CCC(Nc2ccc(-n3ccnc3)c(F)c2)CC1 335269416 WBOYHPKBFYHOAV-UHFFFAOYSA-N 298.365 3.896 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1cc2cccc(Cl)c2s1 335511473 CAUNTNCCNPGQOQ-VIFPVBQESA-N 292.791 3.786 30 20 CHED Cc1ccc(-n2cnnc2S[C@H]2CC[C@H](C#N)C2)c(C)c1 336254946 HXYMCVJXUZMTIG-KBPBESRZSA-N 298.415 3.669 30 20 CHED C[C@@H](Sc1cc(C#N)ccn1)c1ccccc1F 337367067 OMJDYUKIDVPYIX-SNVBAGLBSA-N 258.321 3.946 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 338118890 NGRWJEGBKWXDPV-YLQAJVPDSA-N 282.387 3.517 30 20 CHED C=CCCS[C@H](C(=O)N(CC)CC)c1ccccc1 339091256 QNWFSFBPNMTMLO-HNNXBMFYSA-N 277.433 3.905 30 20 CHED CC(C)(C)[C@H]1CN(CCOCCC#N)c2ccccc21 339130657 YGFQGRWICNFLBB-HNNXBMFYSA-N 272.392 3.567 30 20 CHED COC1(CCN[C@H]2CCCCc3cc(C#N)ccc32)CCC1 340441953 SEVXIKJWDOBTGQ-SFHVURJKSA-N 298.430 3.875 30 20 CHED CCC(CC)c1noc(-c2cc(C#N)cc(N(C)C)c2)n1 340624265 ZYNRARXTGXYHEU-UHFFFAOYSA-N 284.363 3.578 30 20 CHED C=C1CCN(C(=O)CCSc2ccc(C)cc2)CC1 342791346 UIBUAZMTCJOCNZ-UHFFFAOYSA-N 275.417 3.656 30 20 CHED N#CC1(CN2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 343312774 CVILAVXVHLMZAG-VGWMRTNUSA-N 258.409 3.581 30 20 CHED C/C=C/c1ccc(NC(=O)N(CCC#N)CC2CC2)cc1 353259985 IEZMTQZFUMHHCV-DUXPYHPUSA-N 283.375 3.877 30 20 CHED C=C1CCN(Cc2ccc(OC)c(OCCC)c2)CC1 353306577 HTQSCXQWCNIBGM-UHFFFAOYSA-N 275.392 3.636 30 20 CHED C[C@H]1COC[C@H](c2ccccc2)N1Cc1cccc(C#N)c1 354887918 XEWDSMKKZMMGNA-HNAYVOBHSA-N 292.382 3.520 30 20 CHED CCN(CCC1CC1)C(=O)C[C@H](CC#N)c1ccccc1 356805241 IUPAOBLXYJXVCL-KRWDZBQOSA-N 284.403 3.723 30 20 CHED C=CCCc1nc(-c2ccc3nc(C)sc3c2)no1 357174563 QHHSAWUGHHXEBD-UHFFFAOYSA-N 271.345 3.773 30 20 CHED N#Cc1cccc(OCCn2ccc(-c3cccs3)n2)c1 360293415 RIAILROYQUHLHC-UHFFFAOYSA-N 295.367 3.562 30 20 CHED C=CC[C@@H](CC)NCc1cc(Cl)cc2c1OCC2 393844086 BPHOACHOENWXEX-CQSZACIVSA-N 265.784 3.719 30 20 CHED COc1ccc(C#N)cc1CN1CCCC[C@H]1C(C)C 395784486 OTMWPJLYVWYRDD-INIZCTEOSA-N 272.392 3.577 30 20 CHED CCN(CCOCC(C)C)[C@H](C)c1ccc(C#N)cc1 409446471 PMAJCHDLKOBZFP-OAHLLOKOSA-N 274.408 3.614 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(OC)cn2)CCCCC1 410707952 FVXSSHYLFTYHPS-UHFFFAOYSA-N 288.391 3.580 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1oc2ccc(F)cc2c1C 410824697 DGMCSILLTIWDRX-GFCCVEGCSA-N 288.322 3.645 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCCc1c[nH]c2ccccc12 410828892 PDQZRNNZMWRFDI-HNNXBMFYSA-N 297.402 3.641 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CC#N)c1 412832613 XIUYRKUZRMSWQI-CVEARBPZSA-N 284.403 3.697 30 20 CHED COC(=O)C[C@@H](C)SCCC1(C#N)CCCCC1 412989737 CWDHPUBLNRTVAV-GFCCVEGCSA-N 269.410 3.535 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)C1 413388629 RPDPGBXBCQZZFH-BETUJISGSA-N 264.756 3.580 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC=C(C)CC1 413825041 FAQAYGGDHYPBBV-QGZVFWFLSA-N 284.403 3.535 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CCC[C@H]2C1 413834408 LYTPXOSUCFMZDS-FGTMMUONSA-N 298.430 3.615 30 20 CHED C=CCC1(NC(=O)N[C@@H]2C[C@H]2c2ccco2)CCCCC1 413873332 XSYWFHNDKIPWFS-ZIAGYGMSSA-N 288.391 3.714 30 20 CHED C=CCCCS(=O)(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416672314 YKAKMXIUGUKRNS-ZDUSSCGKSA-N 293.432 3.511 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N1CCc2c(C#N)cccc21 421658144 ROPPYKAJERDHLR-BBRMVZONSA-N 282.387 3.664 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](CC(F)(F)F)C2)CCC1 421962390 LWAFRNWZWAXPFZ-GFCCVEGCSA-N 289.341 3.924 30 20 CHED Cc1ccccc1CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425127356 IXPFHKFDNJBQFU-HNNXBMFYSA-N 292.382 3.629 30 20 CHED CCCc1nsc(N(C)[C@@H](C)c2cccc(C#N)c2)n1 425282745 OCFWDSORZWNQKG-NSHDSACASA-N 286.404 3.560 30 20 CHED C=C(C)CNC(=O)c1cc2ccccc2n1CC(F)(F)F 427203033 HXDAMOXJJOLNSG-UHFFFAOYSA-N 296.292 3.510 30 20 CHED C=CCN(CCC#N)Cc1c(OC)ccc2ccccc12 430104027 QNKILUOYWKCIHT-UHFFFAOYSA-N 280.371 3.750 30 20 CHED C=CCOc1cccc(CN2CCC[C@@H](CSC)C2)c1 430208606 UKJYYYWXZYVSKK-MRXNPFEDSA-N 291.460 3.826 30 20 CHED CCc1cccc(NC(=O)NCC2(CC#N)CC2)c1CC 432597659 ZGKPCGAWPLRTCT-UHFFFAOYSA-N 285.391 3.627 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccc(C(C)(C)C#N)cc1 432701026 WHYPAVNLFGOKLX-UHFFFAOYSA-N 298.390 3.501 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1c(C)cccc1F 439384123 YBROXKWZMNSGDY-LLVKDONJSA-N 250.317 3.610 30 20 CHED CCc1cc(C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 442082217 JTBUJVPOBURVQD-UHFFFAOYSA-N 282.299 3.608 30 20 CHED CC(=O)Nc1cccc(NCc2ccc(C#N)c(C)c2)c1C 443973647 ZMHSIBDJJIFADK-UHFFFAOYSA-N 293.370 3.746 30 20 CHED CCCCc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1 448560818 CICNYMMCOHXAJJ-LRDDRELGSA-N 256.349 3.517 30 20 CHED COc1cc(C)ccc1CN(C)Cc1cccc(C#N)c1 449011860 VQEUPXMCEMDVQU-UHFFFAOYSA-N 280.371 3.507 30 20 CHED CCO[C@H](CNC1CCC(C)(C#N)CC1)c1ccccc1 449289719 UZCLHGASAKAAQM-LXPRWKDFSA-N 286.419 3.826 30 20 CHED CCOc1ccccc1C1=CCN(CC2(C#N)CCC2)CC1 450300524 SJSMYFNLOZKPAI-UHFFFAOYSA-N 296.414 3.868 30 20 CHED C=C(C)[C@@H](N=c1[nH]nc(C(C)C)o1)c1ccc(F)c(F)c1 450462138 YTDYBRAGKOAJKP-CYBMUJFWSA-N 293.317 3.622 30 20 CHED C=CCC1(C(=O)NCC[C@@H](C)N2CCCCC2)CCCC1 450560882 IAYSDINOSNRFAO-MRXNPFEDSA-N 292.467 3.504 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(C)cc2ccccc12 455739732 JCTISBWSSXTWBP-UHFFFAOYSA-N 281.359 3.916 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2cc(C)oc2C)c1 456002526 MUSRPSHTFISHIV-GFCCVEGCSA-N 297.358 3.959 30 20 CHED CC(C)[C@]1(C)C[C@@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 458115235 IADRNVHJQDPHBD-RYRKJORJSA-N 284.403 3.625 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 458306635 TZFVBRUEZYQAMM-LTIDMASMSA-N 269.388 3.651 30 20 CHED C[C@H](C(=O)N(C)[C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 461896051 VULOZILIRPOUHM-JKIFEVAISA-N 284.403 3.699 30 20 CHED CC#CCCCC(=O)N1[C@@H](C)c2ccc(OC)cc2C[C@H]1C 466276805 TTZFIXBZLYNSJW-CABCVRRESA-N 299.414 3.723 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCC[C@@H]1CCC 466376663 LRZYQNRYIHXGSR-KGLIPLIRSA-N 252.402 3.705 30 20 CHED C=CC[C@H](CC)NC1CCN(c2ccc(F)cc2F)CC1 467411818 FNASKZFPBGJAKG-AWEZNQCLSA-N 294.389 3.878 30 20 CHED CC(C)[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 470156687 QRXYCWAZSZTSQN-RCCFBDPRSA-N 292.382 3.608 30 20 CHED C[C@H]1CN(CCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 471022402 MZFSNLTUDDWHRN-HNAYVOBHSA-N 292.382 3.630 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC[C@H]1CCCC[C@H]1C 473586497 BPMGUDUOJLWTTP-BFYDXBDKSA-N 281.440 3.548 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1OC 475440560 WPDYODXVYNVXGW-KBPBESRZSA-N 286.375 3.722 30 20 CHED CC(C)[C@H](C#N)NC(=O)CC(C)(C)C1CCCCC1 476690378 KWPUMYKQWQUIER-AWEZNQCLSA-N 264.413 3.647 30 20 CHED N#Cc1cccc(CNc2ccc(-c3cncnc3)cc2)c1 487372307 YEIGQDJNTOLJBJ-UHFFFAOYSA-N 286.338 3.627 30 20 CHED Cc1cc(CNC2(c3ccc(F)cc3)CC2)ccc1C#N 488119383 BZKSSINFCVHFQY-UHFFFAOYSA-N 280.346 3.785 30 20 CHED N#Cc1c(F)cccc1CSc1nc2ccccc2[nH]1 488226781 CKGLGHVBQYOBQF-UHFFFAOYSA-N 283.331 3.866 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccccc1)C1CCCC1 488543832 KTENAANCIKQBKC-MRXNPFEDSA-N 272.392 3.793 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CS[C@H](C(C)C)C1 488558743 LQZHKTFCPMJVAG-CJNGLKHVSA-N 290.432 3.899 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1c1ccc(CC)o1 488959806 FQBPZALSORYPDG-OAHLLOKOSA-N 298.386 3.807 30 20 CHED CN(Cc1ccc(C#N)cc1Br)[C@H]1CC1(C)C 489492670 GIPMHVLTFAXVDV-ZDUSSCGKSA-N 293.208 3.551 30 20 CHED C=CCN(CCc1ccc(F)c(F)c1)CCc1ccco1 491297174 SSEUQENBISMLRY-UHFFFAOYSA-N 291.341 3.831 30 20 CHED C#C[C@H](NCc1sc(C)nc1C)c1ccc(Cl)cc1 491820200 QIMSJIRUWPFIEH-AWEZNQCLSA-N 290.819 3.877 30 20 CHED C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)CC1(F)F 494220726 RUWXKFXRYNTBBA-LBPRGKRZSA-N 283.749 3.669 30 20 CHED Cc1c(C#N)cccc1NCc1c(F)cccc1F 500733452 JUJCRPDECXPAKH-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1ccc(CN2CC[C@H]2c2ccccc2)c(F)c1 505295097 CYJDERPLXLQNOW-KRWDZBQOSA-N 266.319 3.644 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N(C)C[C@H](C)C#N)c1 507501935 ACQWINXYYMPJCH-CABCVRRESA-N 286.419 3.607 30 20 CHED C=C(C)CCc1noc(Cc2c[nH]c3cc(F)ccc23)n1 508626191 UQAKNRCSBCBFPT-UHFFFAOYSA-N 285.322 3.790 30 20 CHED C=CCN(CCOc1cccc(F)c1)Cc1cccs1 509070423 RWMGAYHZKCFSRP-UHFFFAOYSA-N 291.391 3.954 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)N(CCC#N)c1ccc(F)cc1 519575448 XVJFEUDJVYTFCH-KBPBESRZSA-N 288.366 3.899 30 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CHED CCOc1ccc(CON=Cc2ccc(Cl)cc2)nc1 755938783 ATGFRGBJCIMMSG-UHFFFAOYSA-N 290.750 3.684 30 20 CHED C=C(C)[C@H](CC(=O)OC[C@@H]1CC=CC[C@H]1C)OCC 756489347 SRQDUNIFZVTQDS-ILXRZTDVSA-N 266.381 3.503 30 20 CHED C=C[C@H](CC(=O)OCCCC(=O)CC)c1ccccc1 759593435 SJMVEOFWADBSAO-CQSZACIVSA-N 274.360 3.649 30 20 CHED C=CCCC(=O)COC(=O)[C@H](c1ccccc1)[C@H](C)CC 761350811 YORNBWFHLBGYEX-PBHICJAKSA-N 288.387 3.895 30 20 CHED Fc1ccc2nc(C=NNc3ccccc3)sc2c1 761724508 XNAAQQHLHDQVEE-UHFFFAOYSA-N 271.320 3.881 30 20 CHED N#Cc1cccc(NN=Cc2nc3ccc(F)cc3s2)c1 761785566 IRAPGJUOZNAKOH-UHFFFAOYSA-N 296.330 3.753 30 20 CHED C#CCN(C(=O)N[C@H](C)c1csc2ccccc12)C1CC1 764724649 JPBYPQDSAISKIM-GFCCVEGCSA-N 298.411 3.770 30 20 CHED C=CCNC(=O)/C(C)=C\c1c(Cl)cccc1Cl 766629153 CDLWBEJIZDERBP-HJWRWDBZSA-N 270.159 3.699 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccccc1OC 766772371 QVWKJQWZNANSMH-CMDGGOBGSA-N 267.328 3.549 30 20 CHED CCCC[C@@H]1CCCC1=NNC(=S)Nc1ccccn1 767805781 VNWJTCZJZXDJLF-GFCCVEGCSA-N 290.436 3.714 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ncnc3sccc23)C1 768353944 CJUBNDQZZPHMTI-QWRGUYRKSA-N 274.393 3.915 30 20 CHED C=CC[C@H](NC(=O)N[C@H]1CCC(C)(C)C1)c1ccncc1 768944225 HPEDGERIFOCMCD-GJZGRUSLSA-N 287.407 3.577 30 20 CHED COCc1ccc(C=NNc2c(F)cccc2Cl)o1 769827373 VISCEFCUSDHYJM-UHFFFAOYSA-N 282.702 3.665 30 20 CHED C=CC[C@@H]1N(C[C@H](O)c2ccccc2)CCCC1(C)C 769953751 PJSBFKOHBVUBNW-IRXDYDNUSA-N 273.420 3.787 30 20 CHED CC(C)c1nccnc1NN=Cc1ccccc1C1CC1 773085128 FFAPEDKKJBWTQO-UHFFFAOYSA-N 280.375 3.923 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)C2CCC2)cc1 773103144 IXAOPLHEWCHTBQ-UONOGXRCSA-N 257.377 3.538 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1ccc(C#N)cc1F 773126176 UNJGJCPDPVRFMS-HNNXBMFYSA-N 273.355 3.590 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccccc1Cl 773162723 VRSNXLXXBVXEEE-JYRVWZFOSA-N 280.714 3.704 30 20 CHED CCCCCCCN[C@H](C)c1cc(C(=O)OC)co1 774275770 YMDVITDKVLPXHU-GFCCVEGCSA-N 267.369 3.687 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(OCC(F)F)cc2)C1 774304018 TYWAFKPTUVBHSM-DGCLKSJQSA-N 280.318 3.825 30 20 CHED N#Cc1cccc(COC(=O)CC2=CCCCC2)c1F 774942559 QQHBNFUOJRIFRP-UHFFFAOYSA-N 273.307 3.631 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1c(C)cccc1F 775747857 YTUKSNGVEBDPQL-CYBMUJFWSA-N 278.371 3.678 30 20 CHED Cc1cccc(C2(C(=O)OCC3(C#N)CC3)CCCC2)c1 775855497 QGBOVHWJTQZYJO-UHFFFAOYSA-N 283.371 3.654 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CC[C@H]2SCCS[C@@H]12 776167337 CQKOGOTYHJEKLM-DGAVXFQQSA-N 271.495 3.700 30 20 CHED Cc1c(Cl)cccc1NC(=O)Cc1ccccc1CC#N 776726566 KSUQFADLKVIUID-UHFFFAOYSA-N 298.773 3.896 30 20 CHED C#CCOc1ccc([C@H](C)Nc2cccc(OC)c2)cc1 776775335 HDGLBJGILMPCJH-AWEZNQCLSA-N 281.355 3.880 30 20 CHED O=[N+]([O-])c1ccc(Cl)cc1C=NOCCC(F)(F)F 777455878 NKSGOQDKHIQRGN-UHFFFAOYSA-N 296.632 3.551 30 20 CHED C#CCCCCCC(=O)Nc1sc(CC)nc1C 778171676 MYQVAXSSLMHREF-UHFFFAOYSA-N 264.394 3.536 30 20 CHED N#CCc1ccc(C(=O)OCCCc2cccc(F)c2)cc1 778840497 XUPQWLOYZRZJCN-UHFFFAOYSA-N 297.329 3.681 30 20 CHED C#CCCCN[C@@H](CSc1ccccc1)C(C)C 779074436 PXYRUGUGTLOENH-INIZCTEOSA-N 261.434 3.806 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(C)cc1C 779590517 OBSZNMOMKAYWSW-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1cc(C)ccc1OC 779751982 BCNZVQKYRAWNIN-OAHLLOKOSA-N 287.403 3.765 30 20 CHED C[C@H]1CCCC(=NNc2cccc([N+](=O)[O-])c2)[C@@H]1C 781113806 HQAWXFRTCTXPAJ-WDEREUQCSA-N 261.325 3.819 30 20 CHED Cc1ccc2c(CCC(=O)OCC(C)(C)C#N)c[nH]c2c1 781476662 HTIRFWLMXXRHTO-UHFFFAOYSA-N 284.359 3.502 30 20 CHED C[C@H](OC(=O)c1ccc(N(C)C)cc1)c1cccc(C#N)c1 782021039 FPUYONRSOOEQGP-ZDUSSCGKSA-N 294.354 3.542 30 20 CHED CC(C)(C#N)CCCOC(=O)CCc1cccc(F)c1F 783342237 ZJQVIATWHLUFLL-UHFFFAOYSA-N 295.329 3.771 30 20 CHED C=CCCCCCOC(=O)c1cnc(C2CC2)s1 783505253 YSDKPUZGPVCPRF-UHFFFAOYSA-N 265.378 3.924 30 20 CHED CCOCC(C)=NNc1ccc(Br)cc1CC 783872214 XASRPZFFHDSBGN-UHFFFAOYSA-N 299.212 3.836 30 20 CHED CCCCCCNc1cc(C#N)ccc1OCCOC 783895841 OJORGUMEHYIMGI-UHFFFAOYSA-N 276.380 3.576 30 20 CHED C[C@@H](OC(=O)/C=C/c1cccc(O)c1)c1ccc(C#N)cc1 784062388 QMLMTGRRKJMHQR-UTSBKAFOSA-N 293.322 3.581 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1ccc2ccccc2c1 785998043 VULXNGKACWMQOU-GOSISDBHSA-N 294.398 3.819 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1c(C)cccc1C 787290500 NHMUUJOXWMVUMK-HNNXBMFYSA-N 272.392 3.554 30 20 CHED C[C@@H]1CC(=NOC[C@@H]2CCOC2)C[C@@H](c2ccccc2)C1 788029107 CTSFPJIOIMABPA-UXLLHSPISA-N 287.403 3.999 30 20 CHED COc1cc(NN=Cc2ccccc2C#N)ccc1Cl 788471749 HAPAMSSYAMMFMT-UHFFFAOYSA-N 285.734 3.666 30 20 CHED Cn1cnc2cc(C=NN3CCC(C(C)(C)C)CC3)ccc21 790179434 YOCBWHWUTGXCBC-UHFFFAOYSA-N 298.434 3.665 30 20 CHED FC(F)CNN=C1CCCc2[nH]c3ccc(Cl)cc3c21 790297479 PZBBIZVJESLKJY-UHFFFAOYSA-N 297.736 3.716 30 20 CHED CCCCc1ccc(C(C)=NNc2nccn2C)cc1 790299816 KGISLOBGCQPKJO-UHFFFAOYSA-N 270.380 3.599 30 20 CHED C[C@H](NN=Cc1csc(Br)c1)C(C)(C)C 793115153 KRMFQFCZHNIPRB-QMMMGPOBSA-N 289.242 3.869 30 20 CHED CC(=NNCc1c(Cl)cccc1Cl)c1ccncc1 793117128 IUOGGJAPWHVEAT-UHFFFAOYSA-N 294.185 3.902 30 20 CHED C[C@H]1CCC[C@H](C=NNc2cccc(Cl)n2)C1 793175221 RXMVGVVKQLLLEG-QWRGUYRKSA-N 251.761 3.959 30 20 CHED Fc1cccc2[nH]cc(C=NNc3cccc(Cl)n3)c12 793176102 YXWJRBAMWCUCEP-UHFFFAOYSA-N 288.713 3.801 30 20 CHED CSc1ccccc1CC(C)=NNc1ncccc1F 794994102 RZRLAXDBNDZISD-UHFFFAOYSA-N 289.379 3.973 30 20 CHED COc1ccc([C@@H]2C[C@H]2Nc2nc(C)cc(C)c2C#N)cc1 795257429 DUPXPHCCKNCNEM-DOTOQJQBSA-N 293.370 3.547 30 20 CHED C=CCC[C@@H](NC[C@@H](C)N1CCCCC1)c1ccco1 796703159 SNYMBTHEZUTSII-HZPDHXFCSA-N 276.424 3.751 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1cc(F)ccc1F 796892350 MMTLLTPWEYOTJK-OTYXRUKQSA-N 267.275 3.509 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCCCCCC 798071960 RXOQHVKHSSPCCH-HOTGVXAUSA-N 296.455 3.627 30 20 CHED C=CCCC(=O)COC(=O)CC1CC(c2ccccc2)C1 798734079 GLZBDQCNGOXQMG-UHFFFAOYSA-N 286.371 3.649 30 20 CHED CSCc1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1 799329595 GAJCDWAADDXZOC-UHFFFAOYSA-N 296.395 3.982 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(-c2csc(C)n2)cc1 799519669 NLZUAKUZCPRCEM-ZDUSSCGKSA-N 286.356 3.578 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(Oc2ccccc2)cn1 799628089 VHWYWIIQEFRTFK-CYBMUJFWSA-N 296.326 3.723 30 20 CHED C=C[C@@](C)(CC)C(=O)OC[C@@H](OC)c1ccccc1 801861129 POORMENDLIYXCD-ZBFHGGJFSA-N 262.349 3.520 30 20 CHED C[C@@H](CC(=O)OCCCSCC#N)c1ccccc1F 805439309 STXPJKNORKQFQX-LBPRGKRZSA-N 295.379 3.509 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccnc(Cl)c1 806175732 DWZSZHUVZACQPE-LLVKDONJSA-N 265.788 3.716 30 20 CHED COc1cc(C=NOCC=C(C)C)ccc1OC(F)F 808244732 MNLZPUWENYXHQA-UHFFFAOYSA-N 285.290 3.613 30 20 CHED C=CCCCCCCNCc1cn(C(C)C)nc1C 808419708 WWKXLBJGBCIQFW-UHFFFAOYSA-N 263.429 3.999 30 20 CHED C=CCCOC(=O)CCSc1cccc(Cl)c1 808701374 WBYSFTAXWSSGFO-UHFFFAOYSA-N 270.781 3.942 30 20 CHED CCCCCCCCCC(=O)N(C)c1ncc(OC)cn1 808810218 KFAUQARVOLSDEW-UHFFFAOYSA-N 293.411 3.589 30 20 CHED O=C(/C=C/c1cnccn1)c1cc2cc(Cl)ccc2o1 809152582 IAQSFWKNJUEWQD-NSCUHMNNSA-N 284.702 3.772 30 20 CHED CCCCCOc1ccc(C(=O)/C=C\c2cnccn2)cc1 809152752 KOZBUBHYYAPDJJ-YFHOEESVSA-N 296.370 3.942 30 20 CHED C#Cc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 809625192 ZNFMQTKOTWPJNB-CQSZACIVSA-N 294.354 3.735 30 20 CHED C#C[C@H](NCc1cnc(-c2ccccc2)s1)C(C)(C)C 809782608 AISNXHGKFVFXST-HNNXBMFYSA-N 284.428 3.948 30 20 CHED Cl/C=C\CON=Cc1cnn(-c2ccc(Cl)cc2)c1 811671855 LFPQGXLBQHLHRG-RWZBVZCCSA-N 296.157 3.629 30 20 CHED Cc1cccc(C(C)C)c1NN=C1CCN2CCC[C@@H]12 812232244 ZJEVFJBSVOFTRC-INIZCTEOSA-N 271.408 3.754 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1cc(C)ccc1C 812444263 BKJCFLHXCGHHRO-UHFFFAOYSA-N 282.343 3.838 30 20 CHED Cc1cc(C=NOCC2CC2)c(C)n1Cc1ccco1 814244666 GIMQFHDEJFYLEO-UHFFFAOYSA-N 272.348 3.507 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc2ccccc2c1 814480209 OJBWLEVMHSNDAA-UHFFFAOYSA-N 279.343 3.773 30 20 CHED Cc1ccc(NN=Cc2nc3c(s2)CCCC3)cc1 814685051 BLBOZFPXPRSFQE-UHFFFAOYSA-N 271.389 3.776 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(C(C)C)c1 814772438 ATWVYDNKMUGXNK-UHFFFAOYSA-N 253.292 3.960 30 20 CHED Clc1cccc(Cl)c1NN=C[C@H]1CCCOC1 814871793 JWPMTIJKYHRVRR-SECBINFHSA-N 273.163 3.818 30 20 CHED CCC(CC)CNN=C1CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C 814906268 MMLRSGPBYWWRSE-YPMHNXCESA-N 282.428 3.525 30 20 CHED Fc1ccc(NN=Cc2ccc(Cl)o2)c(F)c1F 814946546 RALRSGLXMDPPHL-UHFFFAOYSA-N 274.629 3.796 30 20 CHED C=CCSc1ccccc1C(=O)NOC[C@@H](C)CC 816980284 IKIXWLFRHOYWTF-LBPRGKRZSA-N 279.405 3.672 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)c(Cl)[nH]1 817457824 YWIWTIAORRQFNW-UHFFFAOYSA-N 275.179 3.654 30 20 CHED C=CCCCCNCc1cc(C(OC)OC)ccc1F 818203625 IUTKMMANPNMZAK-UHFFFAOYSA-N 281.371 3.563 30 20 CHED CCCCCCCCC(=O)N1CCC[C@](CO)(C(C)C)C1 819045009 USKXRGBPXMGSNY-SFHVURJKSA-N 297.483 3.994 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 819524746 XAYIFTBBSSZTQU-CQSZACIVSA-N 277.795 3.526 30 20 CHED CC(C)Oc1ccccc1C=NN[C@H](C)c1ccncc1 819815233 OCAUFMFUEQIWBZ-CQSZACIVSA-N 283.375 3.554 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@H](C)c1nc2ccccc2n1C 820162630 ZGHBXYQUKVJTJP-GFCCVEGCSA-N 286.375 3.780 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cnn(C)c1Cl 822677987 SEGMINNPPHUXPR-LBPRGKRZSA-N 299.846 3.800 30 20 CHED C#CC1CCN(C(=O)Nc2c(C)cccc2Cl)CC1 831677893 MPYFXSCHXDWOIG-UHFFFAOYSA-N 276.767 3.526 30 20 CHED C=C(C)CNc1ccc2c(c1)CN(CC(F)(F)F)C2 834685188 KYCUVUIYDXAEMK-UHFFFAOYSA-N 270.298 3.553 30 20 CHED CC[C@H](C)c1ccccc1OC(=O)c1ccc(C#N)n1C 835047731 DFEPHGQJEIYKCW-LBPRGKRZSA-N 282.343 3.629 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccc1 835062939 GTCOPUQHKLQKHH-KBMXLJTQSA-N 298.386 3.550 30 20 CHED O=C(CC1CC(F)(F)C1)OCC#Cc1ccc(Cl)cc1 835202164 BEENPHSMGBNOLB-UHFFFAOYSA-N 298.716 3.670 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)c1nccn1-c1ccccc1 835418971 ZMHSEIVBUAVROW-ZDUSSCGKSA-N 284.359 3.689 30 20 CHED C=CC(C)(C)COC(=O)c1cc2cccnc2s1 835720795 CCMGCZNCFRRKOD-UHFFFAOYSA-N 261.346 3.665 30 20 CHED C/C(=C/c1ccccc1)CN(C)C(=O)C#CC(C)(C)C 837576061 QJAIHSAZKTZSHX-SQFISAMPSA-N 269.388 3.598 30 20 CHED CCCCCCCCNC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1O2 838528097 ZWDIOJJCLODXGI-BZUAXINKSA-N 296.455 3.604 30 20 CHED CCC(=O)c1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839049768 HWECRUBTCWLDOK-DOMZBBRYSA-N 285.343 3.518 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2cccc(Cl)c2F)C1 839064373 WOTUNBCYBZGQQN-CMPLNLGQSA-N 295.741 3.647 30 20 CHED C=CCC1(C(=O)OCc2nc3cccnc3[nH]2)CCCCC1 839270281 GPELENHPIPDZJK-UHFFFAOYSA-N 299.374 3.528 30 20 CHED N#CC1(CCOC(=O)c2ccc3ncoc3c2)CCCCC1 840220104 DSJFWZRIORXOSR-UHFFFAOYSA-N 298.342 3.849 30 20 CHED C[C@@H]1C[C@@H](NCC(C)(C)CC#N)c2c(O)ccc(F)c21 840787122 IFRRZLOGVFRCRB-ZYHUDNBSSA-N 276.355 3.609 30 20 CHED CCCCCCC[S@](=O)c1ccc2[nH]ncc2c1 840882349 UBMNBLBHFPSNII-SFHVURJKSA-N 264.394 3.641 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCC(F)(F)CC2)cc1 842522201 ITVIHZWVMAMAJL-UHFFFAOYSA-N 269.251 3.572 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1coc(C(C)C)n1 844551698 GNGXFCAZMNWSTC-VOTSOKGWSA-N 287.363 3.780 30 20 CHED N#Cc1cc(-c2ccc([C@H](O)C3CCC3)cc2)ccc1O 846782280 PMMQPWJMCMHQQO-GOSISDBHSA-N 279.339 3.764 30 20 CHED COc1ccc(N(Cc2ccc(C#N)cn2)CC(C)C)cc1 846821999 VOQRZWOCUPEVES-UHFFFAOYSA-N 295.386 3.624 30 20 CHED COc1ccc(OC)c(C=NOC/C=C/c2ccccc2)c1 852289619 XAKZHZCRCAHUTJ-QZAKLXLVSA-N 297.354 3.768 30 20 CHED Fc1ccc(NN=C[C@H]2CCC[C@@H](C(F)(F)F)C2)nc1 853305128 PRTYETCPBNTEEE-VHSXEESVSA-N 289.276 3.987 30 20 CHED CCCCc1nc(C=NN2CCCC[C@@H]2C)c(Cl)[nH]1 853381060 ZKPBEAFAMQKCDY-NSHDSACASA-N 282.819 3.614 30 20 CHED N#CC[C@@H]1CCCN(Cn2ccc(=S)c3ccccc32)C1 853525068 RTOYPKBFVYJCLX-AWEZNQCLSA-N 297.427 3.954 30 20 CHED CC(C)C#CC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 854935152 JRIKYXKVIMXVKU-HOCLYGCPSA-N 289.806 3.752 30 20 CHED C=CCCCC(=O)N(OC)[C@H](C)c1ccccc1OC 855128641 OVQXUZJQWTYOLT-CYBMUJFWSA-N 277.364 3.503 30 20 CHED CC(C)CCCCCC(=O)N1CCC[C@H](CC#N)C1 855253997 BUVXEGQATAJNLA-OAHLLOKOSA-N 264.413 3.745 30 20 CHED C#CCCOc1ccc(CNc2cccc3c2OCC3)cc1 858232502 ZJLWETRNIJZPHD-UHFFFAOYSA-N 293.366 3.636 30 20 CHED C#CCCOC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 859097867 WLCRLRYVXVUBJY-MRXNPFEDSA-N 287.334 3.511 30 20 CHED C#CCCOC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 859116762 AXGHIKDSEASQKL-VIFPVBQESA-N 286.158 3.804 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(Cl)c(C)c1 860455801 WUVBDZJQQGCKBV-UHFFFAOYSA-N 265.740 3.884 30 20 CHED C=CCCCC(=O)Nc1cc(F)ccc1NC1CC1 870204614 HJABFFKRIBRBNT-UHFFFAOYSA-N 262.328 3.695 30 20 CHED C#CCCCCCCNCc1nc(C2CC2)cs1 877109560 AWKKOMBVSBSKDK-UHFFFAOYSA-N 262.422 3.694 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(CN2CCCCC2)cc1 882951085 NZLJSACNPOVTOL-SFHVURJKSA-N 299.418 3.551 30 20 CHED C=C/C=C\CCNCc1cccc(OCCCC#N)c1 883261025 NTNKPTUQRKSJGV-ARJAWSKDSA-N 270.376 3.591 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(C(C)C)nc2ccccn12 887078132 GHYHTTMXQVLOMR-UHFFFAOYSA-N 285.391 3.999 30 20 CHED CC[C@H](CC#N)NCc1cccc(Oc2ccccn2)c1 893605447 GGEOUZGJVJBOMU-OAHLLOKOSA-N 281.359 3.656 30 20 CHED C=C1CCC(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)CC1 895875271 KVTVMXGCRUSVHC-QAPCUYQASA-N 299.414 3.721 30 20 CHED C=CCCCc1nc(-c2cc3c(nc2O)[C@@H](C)CCC3)no1 896767584 JZPBESVNJFUWSD-NSHDSACASA-N 299.374 3.786 30 20 CHED CCc1onc(C)c1/C=C1/CCc2cc(F)ccc2C1=O 899360526 LHUKYBZYGZJORS-XFXZXTDPSA-N 285.318 3.897 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1nc(C)c(C)s1 899366658 NMBCLIBKIYMAGG-CQSZACIVSA-N 299.399 3.512 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NN[C@H](C)c1ccccc1 901172675 LHEZEXRMSFZCQG-CYBMUJFWSA-N 284.407 3.766 30 20 CHED O=C(C[C@H]1CCCCO1)N(O)Cc1cccc2ccccc12 901370996 KCUJJGYXGBXJRM-MRXNPFEDSA-N 299.370 3.517 30 20 CHED C[C@H](CCC#N)Sc1nc(O)cc(-c2ccccc2)n1 901619382 QBKOMXKTPLIQIN-LLVKDONJSA-N 285.372 3.634 30 20 CHED CC[C@H](NCC(CC)(CC)CCO)c1cccc(C#N)c1 902827366 JYALVMBBIJPDDH-KRWDZBQOSA-N 288.435 3.788 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1cccc(C#N)c1 902979189 PLTOMYGNDURYSU-SQNIBIBYSA-N 284.403 3.580 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc2[nH]ccc12 903874703 HTMCHQFVLXSJCO-UHFFFAOYSA-N 283.375 3.760 30 20 CHED Cc1n[nH]c(C)c1/C=C1/CSc2ccc(F)cc2C1=O 915986000 RTSKLWKCZSMRLX-YHYXMXQVSA-N 288.347 3.538 30 20 CHED COc1cccc(C=NNc2ccccc2Cl)c1 916262682 MTXLPDUQTAPZRC-UHFFFAOYSA-N 260.724 3.795 30 20 CHED COc1cc(C)ccc1NCCCOc1ccc(C#N)cc1 917828896 WYMLHRWTEIWSNL-UHFFFAOYSA-N 296.370 3.756 30 20 CHED Cc1cc(C)cc(N(C)C(=O)/C=C\c2ccccc2C#N)c1 917829719 CVOGAHMOOIECNM-HJWRWDBZSA-N 290.366 3.851 30 20 CHED C=C(C)COC(=O)[C@H](Oc1ccccc1)c1ccccc1 919308078 VAEWKKWFQGJOMW-QGZVFWFLSA-N 282.339 3.926 30 20 CHED C=C(CN[C@H]1CCCC[C@H]1CCCO)c1ccccc1 924840495 HGEROMHTQOHKOC-ROUUACIJSA-N 273.420 3.621 30 20 CHED C=CCOc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1 926402527 VRXGDMVILPAEMI-AWEZNQCLSA-N 272.392 3.669 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)Nc2sccc2C#N)C1 931845825 KPACICLSBANRTD-JQWIXIFHSA-N 277.393 3.662 30 20 CHED Cc1ccc(-c2csc(CN3CCC[C@@H](C#N)C3)n2)cc1 932154626 LXDXPUTYMYBAPY-AWEZNQCLSA-N 297.427 3.854 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@H](C)[C@H]1c1ccccc1 933785348 GPZAREVYJPWPGY-KSSFIOAISA-N 290.366 3.700 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 933786148 MWLYJJOFWLLTIJ-JJRVBVJISA-N 257.377 3.808 30 20 CHED C=C[C@@H](CC)CC(=O)NCCC1CC(OC(C)(C)C)C1 935651194 PUWLFIMGMDZHCL-NFOMZHRRSA-N 281.440 3.689 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1OC(F)F 1116912135 ZWIFCJYZIYUTBA-UMNHJUIQSA-N 298.308 3.770 30 20 CHED Cc1ccc(C#N)c(N2CC(C)(C)c3ccccc32)n1 1163857853 XUSTXWRDFUCHLR-UHFFFAOYSA-N 263.344 3.691 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2c2cccc(Cl)c2)n1 1232926639 XQRJRPLYBHSERB-QGZVFWFLSA-N 297.789 3.944 30 20 CHED C#CCN(CC1CC1)C(=O)NCc1ccc(C2CCC2)cc1 1261210181 FKZROALQZFOWKC-UHFFFAOYSA-N 296.414 3.509 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 1262825357 IXODARQDQDEYOI-MRXNPFEDSA-N 297.314 3.626 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(OC)c1C 1263645954 IDISEQFUJXUXOM-CQSZACIVSA-N 288.391 3.966 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cccc(CC#N)n2)C1 1320490135 LGCWQXNESVAIDU-HZPDHXFCSA-N 291.398 3.839 30 20 CHED C#CCN(C(=O)Nc1ccc(C)c(Cl)c1Cl)C1CC1 1324594695 LYVOUDUTBFSJKF-UHFFFAOYSA-N 297.185 3.931 30 20 CHED N#Cc1ccc(COC(=O)c2ccc3sccc3c2)nc1 1326395871 CYODHZQVJRENSS-UHFFFAOYSA-N 294.335 3.525 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H](C)OC1CCCCC1 1330490480 SNFVZTQKSITXJW-CYBMUJFWSA-N 286.375 3.543 30 20 CHED C=C1CCC(C(=O)Nc2ccc(COCC)cc2)CC1 1331913856 AEVPKBGOUVRASU-UHFFFAOYSA-N 273.376 3.908 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C/c1nccs1 1338929512 DEICAIZXARMYMB-CMDGGOBGSA-N 298.411 3.761 30 20 CHED CC(C)c1ccc(N(C)c2nnc(CCCC#N)n2C)cc1 1339912004 AHKDNRDWARSHKE-UHFFFAOYSA-N 297.406 3.553 30 20 CHED C#CCCCNC(=O)C1(c2cccc(Cl)c2)CC(C)C1 1344097895 DHNAGZRQZKBEBN-UHFFFAOYSA-N 289.806 3.537 30 20 CHED N#Cc1ccc(-c2nnc(C=C(C3CC3)C3CC3)o2)cc1 1345866193 CIBFKSOYKMSKFG-UHFFFAOYSA-N 277.327 3.812 30 20 CHED CC1(C)C[C@H](C(=O)O[C@H]2CC[C@@H](C#N)C2)c2ccccc2O1 1347216681 GGSDVIFLUIGMSU-IPYPFGDCSA-N 299.370 3.567 30 20 CHED C=C[C@H](C(=O)N1CCC(F)(F)C[C@@H]1C)c1ccccc1 1347352717 QVTGIMNOALQJTI-JSGCOSHPSA-N 279.330 3.602 30 20 CHED N#CC[C@H](OC(=O)[C@@H]1CCCC(F)(F)C1)c1ccco1 1350311659 NMLZLBUIGLYJHB-PWSUYJOCSA-N 283.274 3.603 30 20 CHED CCc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 1350653090 SVEWWDMIEQBLPP-AWEZNQCLSA-N 292.382 3.938 30 20 CHED C=C(CC(C)C)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 1351744446 IHXJZQKQKOWJQH-HNNXBMFYSA-N 289.423 3.560 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 1359141868 UPPKDLXMPFSLTO-AAEUAGOBSA-N 296.846 3.779 30 20 CHED CCCOc1ccc(Nc2nnc(C)c(C)c2C#N)cc1C 1458511907 VOIHZMKVKBGBSI-UHFFFAOYSA-N 296.374 3.806 30 20 CHED N#Cc1cn(C/C=C\c2ccccc2)c(=O)c2ccccc12 1459175813 XHGCFXSGKREQNO-TWGQIWQCSA-N 286.334 3.587 30 20 CHED CCCCN(Cc1cc(C#N)ccn1)Cc1ccccc1F 1459415845 OBYVCJXLJAYOSX-UHFFFAOYSA-N 297.377 3.895 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccc(C(F)F)cc2)c1 1462162284 OSSPTFVYSNMBKD-UHFFFAOYSA-N 290.244 3.887 30 20 CHED Cc1cc(C)c2c(c1)CCN(Cc1ccc(F)cc1C#N)C2 1473904529 AZIKYWRMWOMYCY-UHFFFAOYSA-N 294.373 3.873 30 20 CHED CCc1ccc(N[C@H]2CCc3cc(C#N)ccc32)nc1 1515704624 ZKGDAQLRJUVCBK-INIZCTEOSA-N 263.344 3.615 30 20 CHED C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)c1cccs1 1523012706 UUJIJIOODFASPX-TZMCWYRMSA-N 284.384 3.623 30 20 CHED Cc1cc(C(=O)N2CCCc3cc(C#N)ccc32)ccc1F 1544126158 LZRBKKRBDDUZDH-UHFFFAOYSA-N 294.329 3.599 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1 1562939396 HMWMRBTUHCDDCH-JYAVWHMHSA-N 285.391 3.813 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@H](F)CC2CCCCC2)c1 1583534558 QVIMZJNHRJCNQY-CQSZACIVSA-N 292.329 3.944 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1cc(F)cc(C#N)c1 1588164380 OTRNPMPMVLRKHA-UHFFFAOYSA-N 286.281 3.651 30 20 CHED C=CCCCCCCNC(=O)c1ccc(C)c(C(=O)O)c1 1588798350 BUYIBYVHPHLYDW-UHFFFAOYSA-N 289.375 3.560 30 20 CHED CCCCCCCCC/C=C/C(=O)N1CC(C)(C(=O)O)C1 1595704588 CCJNKABQGVNETL-VAWYXSNFSA-N 295.423 3.616 30 20 CHED Cc1cc(SCc2ccccc2CC(=O)O)ccc1C#N 1600303448 NBYLQIMHUDHXCF-UHFFFAOYSA-N 297.379 3.786 30 20 CHED Cc1ccsc1C=NNc1ccc(C(=O)O)c(Cl)c1 1600609457 CNQQGXALCYPVRN-UHFFFAOYSA-N 294.763 3.854 30 20 CHED O=C(O)c1ccc(Cl)c(C=NNc2cccc(F)c2)c1 1602358723 WBTIZEXWHNVJIH-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=CCCCNc1cccc(C(=O)O)c1OC(C)C 1602875142 YYHVWTSCNXYLRZ-UHFFFAOYSA-N 263.337 3.550 30 20 CHED C[C@H](C(=O)O)c1cccc(NCC2CCC(C#N)CC2)c1 1603220839 DJRBOWDNVJNWJX-HSBZDZAISA-N 286.375 3.617 30 20 CHED Cc1c(C(=O)/C=C/c2cc(C(=O)O)co2)oc2ccccc12 1610406873 GZHREBVUCOHNMF-VOTSOKGWSA-N 296.278 3.929 30 20 CHED N#Cc1cc(F)ccc1CSc1ccc2c(c1)CCO2 1613855328 NYHQRGFGFWQKIV-UHFFFAOYSA-N 285.343 3.925 30 20 CHED CCOc1ccc(NC(=O)c2ccccc2CC#N)cc1F 1626318544 FGGBVFBGDQQWPY-UHFFFAOYSA-N 298.317 3.543 30 20 CHED C=C(CNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1 1632420416 KJTKREZIXQOUKQ-QZTJIDSGSA-N 298.430 3.968 30 20 CHED Cc1nsc(Oc2ccc3cnccc3c2)c1C#N 1640429118 NWMUZOCCMPHRFE-UHFFFAOYSA-N 267.313 3.664 30 20 CHED Cc1ccc(C)c(CSc2ccnc(C#N)c2)c1 1650733124 PLSXZOCKLNJREW-UHFFFAOYSA-N 254.358 3.862 30 20 CHED Cc1cc(Sc2ccc(C#N)c(C)c2)c(C#N)cn1 1651168934 OGUKVTYWAHVLHX-UHFFFAOYSA-N 265.341 3.593 30 20 CHED COc1cc(C#N)ccc1OCC1CCCCCC1 1655986841 NCGIHVGBXCHEHK-UHFFFAOYSA-N 259.349 3.916 30 20 CHED Cc1c(NN=C2C[C@@H]3CC=CC[C@H]3C2)cccc1C(=O)O 1776089688 COPVSLSLJXGASB-STQMWFEESA-N 284.359 3.837 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cc(C(=O)O)ccc1F 1777477268 TYQUDKLEDUFDRV-HYXAFXHYSA-N 290.315 3.790 30 20 CHED Cc1ccc(SCC(=O)Nc2sccc2C#N)cc1 15186930 MKKDSOHIVNRZGH-UHFFFAOYSA-N 288.397 3.659 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(F)c1 34992828 YWJSRZQSCNZLOQ-ZDUSSCGKSA-N 284.334 3.579 30 20 CHED Cc1nc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cs1 36991943 QWRSFGXFAAAMCR-GHMZBOCLSA-N 271.389 3.735 30 20 CHED C[C@@H](N[C@H]1CCc2ccccc21)c1cccc(C#N)c1 37230004 UMFLNPBJRSVWOP-ACJLOTCBSA-N 262.356 3.896 30 20 CHED COc1ccc(CNc2ccc(CC#N)cc2)cc1F 37496203 ZQUOCBFSHRMECK-UHFFFAOYSA-N 270.307 3.512 30 20 CHED C[C@@H](Cc1ccsc1)N[C@H](C)c1cccc(C#N)c1 49157074 TYUYKMGDJRYDQN-QWHCGFSZSA-N 270.401 3.902 30 20 CHED CC(C)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 66394752 GFVQOQWBDHTLKZ-NSHDSACASA-N 285.174 3.720 30 20 CHED CN(C)c1ccc(Cl)cc1NC(=O)c1cccc(C#N)c1 69247361 XOFZLLQVQALGFI-UHFFFAOYSA-N 299.761 3.530 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2cc(C)ccc2nc1C 78486168 VPDUJJXVVHTZIL-UHFFFAOYSA-N 282.387 3.890 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N[C@H]3CCSC3)c2c1 78500751 DOMRKDFVLDTNMZ-ZDUSSCGKSA-N 283.400 3.641 30 20 CHED CCCC[C@@H](CC)C(=O)NCc1cc(C#N)ccc1F 80787575 VSSIBXOIGZMCMP-CYBMUJFWSA-N 276.355 3.530 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)c1cc2ccccc2o1 84072097 HQUMCOACLSUOME-JTQLQIEISA-N 296.351 3.857 30 20 CHED CCC(CC)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 89632450 LVAIBYPSPOPVHJ-HNNXBMFYSA-N 290.407 3.654 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccnc1 90665167 QWQAMPJGRBQFBE-YOEHRIQHSA-N 265.360 3.777 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(SC)c(F)c1 90883735 LRFYVXLJWLAKAH-GFCCVEGCSA-N 283.412 3.791 30 20 CHED Cc1cc(F)cc(NC(=O)C2(C#N)CCCCC2)c1 91514337 ZTSIBIXGUGQSQJ-UHFFFAOYSA-N 260.312 3.547 30 20 CHED Cc1cccn2cc(CNc3cc(Cl)ccc3C#N)nc12 91628152 LGJJYUOQOZZDKJ-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C(F)(F)F)ccc1F 94597497 VFGAJMTYJHWQGX-UHFFFAOYSA-N 289.272 3.883 30 20 CHED C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)C(C)(C)C 96609754 NBVOGSFKSYBRKI-JTQLQIEISA-N 261.325 3.561 30 20 CHED O=C1C=CO[C@@H](C(c2ccccc2)c2ccccc2)C1 98178179 KWFFZZPVKNKYJN-QGZVFWFLSA-N 264.324 3.690 30 20 CHED CCOc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1 105668440 DDZZYIFLXCOUAH-UHFFFAOYSA-N 263.300 3.500 30 20 CHED C=CCCO[C@@H](C)c1nc(C2CCCCC2)no1 109529139 SLRNSXFANZLGRV-NSHDSACASA-N 250.342 3.771 30 20 CHED C=CCCCN(Cc1cccs1)C[C@H]1CCCO1 117871324 RZDIQIQDTMKCOY-CQSZACIVSA-N 265.422 3.695 30 20 CHED N#Cc1ccnc(SC/C=C/c2ccccc2)c1 125685471 GRPKOANJHSAYFV-QPJJXVBHSA-N 252.342 3.759 30 20 CHED C=CCn1c(C)nnc1SCCSc1ccccc1 129400145 OYQILUMIFBFLCX-UHFFFAOYSA-N 291.445 3.657 30 20 CHED CCCCCCCCC(=O)N[C@](C)(C#N)C(C)C 129694734 VJNXLBHRYMBXEZ-OAHLLOKOSA-N 252.402 3.791 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(COCC)c1 129913385 AGMWUIOCLJOJAL-UHFFFAOYSA-N 273.376 3.930 30 20 CHED Cc1cc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)oc1C 130823196 GTLIRPSEYPLHOQ-UHFFFAOYSA-N 298.342 3.808 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@@H](C)Cc1ccccc1Cl 131179004 UGBQWDUWZORXPB-OLZOCXBDSA-N 292.810 3.527 30 20 CHED C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(C)(C)C#N 131234884 PEHVWHYNCFMCAO-LBPRGKRZSA-N 284.359 3.582 30 20 CHED C#CCCOc1ccc(CNc2ccc(C#N)cc2)cc1 132856053 OLTMQGDFJHJWGB-UHFFFAOYSA-N 276.339 3.572 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2)ccc1Cl 135022485 CVWBWGCLWFZMJA-UHFFFAOYSA-N 270.719 3.772 30 20 CHED COc1cccc(/C=C2\COc3c(C)cccc3C2=O)c1 141625727 LZKLVLUVCBQZCX-NTEUORMPSA-N 280.323 3.662 30 20 CHED Cc1nn(-c2ccccc2)cc1NCc1cccc(C#N)c1 143780803 UXFOFNORBRFKAX-UHFFFAOYSA-N 288.354 3.665 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)c1ccccc1Cl 149329333 GKPBOUUDWZDUEC-SNVBAGLBSA-N 257.724 3.780 30 20 CHED CC(C)CC1(CNC(=O)CCc2ccc(C#N)cc2)CCC1 151301738 VDQPDGATEBSVTN-UHFFFAOYSA-N 298.430 3.823 30 20 CHED CCCN(CC1CCCCC1)C(=O)c1cccc(C#N)c1 154584768 SZQIRVBPZRIHIK-UHFFFAOYSA-N 284.403 3.991 30 20 CHED CC#CCCN(C)Cc1cccc(C(F)(F)F)c1 155123150 RVTQYRZYIUXWLI-UHFFFAOYSA-N 255.283 3.551 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2O)s1 156678867 SQJBCBCXWPYTPK-GQCTYLIASA-N 289.743 3.875 30 20 CHED CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(C#N)c1 157343393 BPGHCVDQNMHAAF-QGZVFWFLSA-N 293.370 3.567 30 20 CHED N#Cc1cc(Cl)ccc1N[C@H]1CCO[C@H](C2CC2)C1 160346726 XZEIJEQIZXVXMI-ZFWWWQNUSA-N 276.767 3.581 30 20 CHED Cc1nn(C)cc1[C@H](C)Nc1cccc(OCCCC#N)c1 172682981 WTPZSVQRLVNHLW-ZDUSSCGKSA-N 298.390 3.584 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H](C)c1cccc(F)c1 173527242 KYKOSHOOXVFSCF-CQSZACIVSA-N 290.382 3.718 30 20 CHED Cc1ccc(C(C)(C)CNCc2ccc(C#N)o2)cc1 174345404 HRVQZUHUHUWKTO-UHFFFAOYSA-N 268.360 3.527 30 20 CHED CC[C@H](C(=O)NCc1cc(C#N)ccc1F)c1ccccc1 174414793 CKWRSTNVCAEUCE-INIZCTEOSA-N 296.345 3.507 30 20 CHED COCc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 174430778 IPCNGSBGFSJDOY-CQSZACIVSA-N 280.371 3.555 30 20 CHED C[C@H](CNCc1ccc(C#N)cc1)Cc1cccs1 174534148 FBNZTLYJXNXDRG-ZDUSSCGKSA-N 270.401 3.588 30 20 CHED C=CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 175107094 NYOQFXRCRBLKFV-UHFFFAOYSA-N 294.379 3.625 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C#N)cs2)cc1OC 176837100 KNFFVQZYYXKWQN-SNAWJCMRSA-N 299.351 3.533 30 20 CHED C=CCCCC(=O)Nc1cc(Cl)ccc1OC 177456107 KWZRREBWWYTNNV-UHFFFAOYSA-N 253.729 3.643 30 20 CHED C=CCCCC(=O)N(CC(F)(F)F)C1CCCC1 177522173 NFBRXNMYDBAVDM-UHFFFAOYSA-N 263.303 3.676 30 20 CHED Cc1ccc([C@@H](C)NCc2ccccc2C#N)cc1[N+](=O)[O-] 179095142 YOCGVBYXQOIBTK-CYBMUJFWSA-N 295.342 3.626 30 20 CHED C#CCCCCC(=O)Nc1nc2c(s1)CCCCC2 179800102 SISKOUWLTLFBHY-UHFFFAOYSA-N 276.405 3.544 30 20 CHED CC[C@H](C)Sc1ccc(N[C@@H](C#N)COC)c(C)c1 181331087 VQVQPBAAVOHZND-STQMWFEESA-N 278.421 3.836 30 20 CHED CC[C@H](CC#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 183921573 MJJHOOPMNWSJGV-MRXNPFEDSA-N 286.419 3.725 30 20 CHED Cc1ccc(CNc2ccccc2O[C@@H](C)C#N)c(C)n1 184505590 VPKLIKFYGNHOTH-ZDUSSCGKSA-N 281.359 3.601 30 20 CHED N#CCC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 185232055 BJGXORRRQRWUDD-OAHLLOKOSA-N 276.767 3.601 30 20 CHED C#C[C@H](C)NC(=O)c1ccc(CSc2ccccc2)cc1 185290121 VLMYATPJVVELRZ-AWEZNQCLSA-N 295.407 3.730 30 20 CHED CC[C@H]1[C@@H](C)CCN1C(=O)Nc1ccc(C#N)c(Cl)c1 185806211 GPZNPLZRQZUGNR-HZMBPMFUSA-N 291.782 3.864 30 20 CHED C=CCC[C@H](C(=O)N(C)Cc1ccncc1)c1ccccc1 187765422 UEFBVQMUPYXEKI-SFHVURJKSA-N 294.398 3.790 30 20 CHED Cc1nc2ccccc2nc1S[C@H](C)CCC#N 188293069 UESCAKMOSHXQND-SNVBAGLBSA-N 257.362 3.723 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cc(F)ccc1Cl 188517743 VOSIIUAOSLUAMW-AWEZNQCLSA-N 285.746 3.646 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cc2ccccc2o1 190634528 HRHPNFFTTRFJGA-INIZCTEOSA-N 257.333 3.651 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)c1cc2ccccc2s1 190983646 IWHCOOUUCHKRSN-LBPRGKRZSA-N 295.411 3.962 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 192137863 UTKUZJKVCQHGJW-IBGZPJMESA-N 295.357 3.835 30 20 CHED C#CCCCC(=O)Nc1ccccc1OC1CCCC1 192191661 WPJWJHZXTFQFHL-UHFFFAOYSA-N 271.360 3.750 30 20 CHED CC(C)CCOCC/N=C/c1cc(Cl)ccc1O 194853226 URPVPNGCFSSYJC-MHWRWJLKSA-N 269.772 3.527 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc2ccccc2c1 210446612 SDBUQQQDHNVMLZ-KTKRTIGZSA-N 276.339 3.952 30 20 CHED CC(C)(C#N)CNCC(c1ccccc1)c1ccccc1 228512990 FJUIHZBDQCYLJG-UHFFFAOYSA-N 278.399 3.958 30 20 CHED Cc1ccc(CNc2ccc(Cl)c(C#N)c2)cn1 228841379 SGVAUSAWWQCFKR-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C[C@@H]1CCCC[C@H]1Nc1nc(Cl)c(C#N)s1 235234943 XZVFHAUADDDCKZ-HTQZYQBOSA-N 255.774 3.659 30 20 CHED C[C@@H](Nc1nccc(C#N)c1Cl)c1cccs1 235286176 UOXNXFQQGMUGPI-MRVPVSSYSA-N 263.753 3.841 30 20 CHED Cc1ccccc1NCC(=O)Nc1cc(Cl)ccc1C#N 248009528 XCCWXEFMJWPIPW-UHFFFAOYSA-N 299.761 3.571 30 20 CHED CCCCCCCCC[S@](=O)[C@@H]1CCO[C@H]1C 248957439 LXALCWSIVDPXKO-VBQJREDUSA-N 260.443 3.663 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1cncs1)C2=O 255227293 VFIMPVKCEKJLAC-KUKWCLJQSA-N 255.342 3.835 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(C#N)cc1 255692302 JZIUFAZTJMGJLK-KTKRTIGZSA-N 293.370 3.849 30 20 CHED O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccc(Cl)nc1 255714392 YSJXCQGWZCHZKH-IWQZZHSRSA-N 295.672 3.615 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCO[C@@H](c2ccccc2)C1 265590756 ZPWRXOOFCZUPPU-DNVCBOLYSA-N 292.382 3.693 30 20 CHED CC[C@H](C)CN(C)C(=O)Nc1ccc(C#N)cc1Cl 269166546 WEWIBDZKSVIADT-JTQLQIEISA-N 279.771 3.721 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccccc3F)C2)s1 271203623 VGDGQDPMPQYFFQ-LBPRGKRZSA-N 286.375 3.748 30 20 CHED C=CCN(Cc1nc(-c2cccs2)oc1C)C1CC1 271484173 SVMPPGUAVXUIAS-UHFFFAOYSA-N 274.389 3.862 30 20 CHED C=CCN(C(=O)Nc1cccc(C)c1Cl)C1CC1 271561371 PSVITSOYYUEUJJ-UHFFFAOYSA-N 264.756 3.831 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)C(C)(C)C 272729235 UZBXFHGOTQHLQA-NWDGAFQWSA-N 274.364 3.598 30 20 CHED C=CCC[C@H](C)NCCc1nc2c(C)cccc2o1 273387657 IVUMQAOXBSMTRF-ZDUSSCGKSA-N 258.365 3.623 30 20 CHED C=CCCN(C)CC(=O)Nc1c(C)cccc1C(C)C 276525804 ZJPFIOISIVLUTI-UHFFFAOYSA-N 274.408 3.565 30 20 CHED Cc1cccc(CC(=O)N[C@](C)(C#N)C(C)(C)C)c1Cl 277550663 MPOPZRPUULQWIA-MRXNPFEDSA-N 292.810 3.636 30 20 CHED C#CCCCCC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 278782151 PSZFGBFOCXUOIO-FUHWJXTLSA-N 283.415 3.893 30 20 CHED N#CC1(NC(=O)c2cc(O)c3ccccc3c2)CCCCC1 279588819 REWAREHGLJNPLN-UHFFFAOYSA-N 294.354 3.502 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)oc1C(F)(F)F 281302569 JCHLQWSKJVPICO-SECBINFHSA-N 275.270 3.691 30 20 CHED CCOC1(C)CCN(c2cc(Cl)ccc2C#N)CC1 291764366 GUXKAXUJDAJSJA-UHFFFAOYSA-N 278.783 3.607 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCc1occc1C 292135214 RXGSCAJJDFQRCH-UHFFFAOYSA-N 298.386 3.876 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(C)Cc2cccc(C#N)c2)C[C@H]1C 294567667 ZSRAOAHNMADFIY-CPUCHLNUSA-N 284.403 3.589 30 20 CHED C[C@H](CCC#N)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 299195984 DSTKQBWSGLJZAX-IAQYHMDHSA-N 296.773 3.545 30 20 CHED CCCN(CCCC#N)[C@@H](C)c1ccccc1OC 299405957 NIJRYDZYFDTFKL-AWEZNQCLSA-N 260.381 3.772 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 300208197 BLUCBRQVXFVDFW-RRFJBIMHSA-N 296.455 3.719 30 20 CHED CN(Cc1ccc(F)c(F)c1)c1cccc(F)c1C#N 301070239 KJLWINLUDDKYAH-UHFFFAOYSA-N 276.261 3.612 30 20 CHED CCO[C@H](CCNc1ccc(C#N)cc1)C1CCCC1 301473277 LUKKVYGWKMRBOS-QGZVFWFLSA-N 272.392 3.956 30 20 CHED COc1ccccc1C[C@H](Nc1ccc(C#N)cn1)C(C)C 301489111 KMLAUVCOMHQJOX-INIZCTEOSA-N 295.386 3.641 30 20 CHED C[C@H](c1cccs1)N(C)c1ccc(Cl)c(C#N)n1 301554445 WGQBKKZDOAYLQL-SECBINFHSA-N 277.780 3.866 30 20 CHED CC[C@H](C)CSc1ccc(C#N)cc1[N+](=O)[O-] 301582607 AALCRDZQCPYKLQ-VIFPVBQESA-N 250.323 3.605 30 20 CHED CC1(C)[C@H]2CN(c3ccc(C(F)(F)F)cc3C#N)C[C@@H]21 301625181 GELURYGFVRXZGK-RYUDHWBXSA-N 280.293 3.669 30 20 CHED C=C(C)CN1CCC(Nc2nc3ccccc3cc2C)CC1 301741071 XWGYFPLWGOPNFG-UHFFFAOYSA-N 295.430 3.996 30 20 CHED N#Cc1cccc(C#N)c1SCc1ccc([N+](=O)[O-])cc1 302906908 XHBIHJJCAIDWKB-UHFFFAOYSA-N 295.323 3.630 30 20 CHED C=C(Br)CSc1ccc(F)cc1F 307715072 GOLHYPPORKFACN-UHFFFAOYSA-N 265.122 3.966 30 20 CHED C[C@@]1(C/N=C(/O)c2coc(C3CCCC3)n2)CCCS1 328664504 BPEVCFJHYGJFDD-HNNXBMFYSA-N 294.420 3.923 30 20 CHED C[C@H](/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ncon1 329118869 VCJQJCNJFOCUAY-ZDEQEGDKSA-N 277.368 3.694 30 20 CHED O/C(=N/[C@@H]1CCCOCC1)Nc1cccc2ccsc12 329247698 WJFUIWYUJWDQKV-GFCCVEGCSA-N 290.388 3.796 30 20 CHED CC(C)c1ncncc1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 329671464 SBFOWDOCSYJABE-BFHYXJOUSA-N 287.407 3.873 30 20 CHED Cc1ccncc1/C(O)=N/C[C@@H]1CCC2(CCCCC2)O1 330091926 YEVHBFGLXRUTEA-AWEZNQCLSA-N 288.391 3.577 30 20 CHED Cc1sc(NC(=O)c2ccc(CC#N)cc2)c(C#N)c1C 334176357 COBJXMYTTFIBGX-UHFFFAOYSA-N 295.367 3.555 30 20 CHED CC(C)(C)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 334288319 IQOKHFCQINKDLV-UHFFFAOYSA-N 282.387 3.610 30 20 CHED C=C[C@@H]1OCCC[C@H]1c1nc(-c2ccsc2Cl)no1 335513350 SOJXCSLULLEDBG-SCZZXKLOSA-N 296.779 3.900 30 20 CHED N#CC1(N(C(=O)c2ccc3sccc3c2)C2CC2)CCC1 335725673 TVSYYGHMUJMNRR-UHFFFAOYSA-N 296.395 3.952 30 20 CHED C[C@@H]1CCC[C@H](N(C)CCCC2(C#N)CCOCC2)C1 337135003 MDEYLCFHFZRFMO-CVEARBPZSA-N 278.440 3.597 30 20 CHED C=CCOCCN[C@H](C)c1ccc(-c2ccncc2)cc1 339069963 BCTYEGZKMHSEGT-OAHLLOKOSA-N 282.387 3.602 30 20 CHED CC(C)CC1(C)CCN(C[C@H](C#N)CCC#N)CC1 343956419 DPPXVNIAHIBRFL-HNNXBMFYSA-N 261.413 3.578 30 20 CHED C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCCCC#N 343993910 OQXFNGLYMUPAEW-HNNXBMFYSA-N 299.418 3.863 30 20 CHED C[C@H](C#N)C(=O)N(C1CC1)[C@H](C)c1ccccc1Cl 344059961 QSGZOXTZCUZWAH-GHMZBOCLSA-N 276.767 3.552 30 20 CHED N#CC1(CSCc2ccc(Br)cc2)CC1 344480507 GFOPSEREKDVOFL-UHFFFAOYSA-N 282.206 3.986 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C1 345103383 LWCASTLYTQAXDV-UWVGGRQHSA-N 262.740 3.586 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccccc1C 346888906 ADNJGYXGXZZAPV-UHFFFAOYSA-N 279.343 3.551 30 20 CHED C=CCN1CCC(N[C@@H](c2ccc(C)o2)C2CCC2)CC1 349449459 GCLJPGIBBWPBNC-GOSISDBHSA-N 288.435 3.669 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2cccc(C#N)c2)cc1 349790263 JSNVAURTYFQCHK-CQSZACIVSA-N 280.371 3.760 30 20 CHED C=CCN(C(=O)C1(CCOCc2ccccc2)CC1)C1CC1 350624954 HLSNGDYPFTZJQY-UHFFFAOYSA-N 299.414 3.551 30 20 CHED Cc1cccc(CNC(=O)C[C@H](CC#N)c2ccccc2)c1 354299419 HRWNCEURNQJISP-SFHVURJKSA-N 292.382 3.699 30 20 CHED CCC[C@@H](C)N(C)C(=O)C[C@H](CC#N)c1ccccc1 354570643 LCMMCGQQNALUJG-ZBFHGGJFSA-N 272.392 3.721 30 20 CHED CC(C)(C)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1 359069388 NDVPDHBRWHXKKP-MRXNPFEDSA-N 295.386 3.794 30 20 CHED N#CCC(=O)Nc1ccccc1NCCCc1ccccc1 360077644 BZCKHEDJIJNEDJ-UHFFFAOYSA-N 293.370 3.583 30 20 CHED C=C1CCN(Cc2cc(OC)ccc2Cl)CC1 361831260 UWDWRWGZGFPFLO-UHFFFAOYSA-N 251.757 3.501 30 20 CHED CCC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 364690582 LSXCDJGSNMWGQO-ZDUSSCGKSA-N 278.355 3.812 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC[C@@](F)(c2ccccc2F)C1 367224706 OFWJZEXXEMBURJ-DYVFJYSZSA-N 293.357 3.825 30 20 CHED C=CCCC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C 374258967 QPWURLHXJBGCBT-ZBFHGGJFSA-N 257.377 3.747 30 20 CHED C[C@H]1CCN(CCCCC(C)(C)C#N)CCS1 380383766 UHJAJFJIDJRNCE-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED CCCC[C@@H](C)C(=O)NC(C#N)(CCC)CCC 409968909 WXPFHQHTDTWYRU-CYBMUJFWSA-N 252.402 3.791 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 410126438 ZOLWUWXHKLXFEM-MCIONIFRSA-N 279.330 3.506 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)CC(F)F 412113394 WZJVSAIMFVDVFD-GFCCVEGCSA-N 273.367 3.873 30 20 CHED CC[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@@H]1CC1(C)C 416718641 DPSJCRXNCLOPFP-HOTGVXAUSA-N 299.418 3.524 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cc(C2CC2)ccc1F 424844368 CXIIJDHQUPIMPC-UHFFFAOYSA-N 275.367 3.922 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OCCOC)cc1C 425456763 XCGLXSABYFLWAF-UHFFFAOYSA-N 291.391 3.561 30 20 CHED Cc1csc(CSCc2cccc(F)c2C#N)n1 427815384 FAKSWXGQHUZPNR-UHFFFAOYSA-N 278.377 3.896 30 20 CHED N#Cc1cc(NCc2cc3ccc(F)cc3[nH]2)ccc1F 432416290 ZCTLGFRVUKRQGV-UHFFFAOYSA-N 283.281 3.930 30 20 CHED Cc1cc(Cn2nc(C#N)c3ccccc32)c(C)s1 432480025 RIZKGMHRZBDCRF-UHFFFAOYSA-N 267.357 3.635 30 20 CHED COc1cc(C)ccc1NCC#Cc1ccc(F)cc1 433479603 XRQOHGRYXDXKSG-UHFFFAOYSA-N 269.319 3.606 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H](c3ccccc3)[C@H]2C)n1 433658075 YKNCRUFGSRMCAM-WBVHZDCISA-N 291.398 3.953 30 20 CHED CCOC(=O)[C@@H](CC)SCCCCC(C)(C)C#N 436201121 YWPCIDGVCJBDII-GFCCVEGCSA-N 271.426 3.781 30 20 CHED N#CCC[C@@H](N=c1cc[nH]c2ccncc12)c1ccccc1 439105841 GJTTUFAYPOCZJD-MRXNPFEDSA-N 288.354 3.509 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1N[C@@H]1CC[C@@H](C#N)C1 442856420 DLOCSPOCYZQXMY-QBPKDAKJSA-N 278.440 3.642 30 20 CHED N#Cc1ccc(NC(=O)Nc2ccc3ccoc3c2)cc1 443158473 VQRRSCYZXBRKSP-UHFFFAOYSA-N 277.283 3.948 30 20 CHED C=CCC1(C(=O)NCCc2cccs2)CCCCC1 448576461 AOJYMVOLSBPPOZ-UHFFFAOYSA-N 277.433 3.933 30 20 CHED CC[C@H](CC#N)NCc1cnc(-c2ccccc2F)s1 449243988 OPJLNJISTYCOSV-LLVKDONJSA-N 289.379 3.731 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC[C@H]2c2ccccc2)o1 449402428 REPPLXJWHBTFJM-YJBOKZPZSA-N 280.371 3.825 30 20 CHED C=C(C)CCN[C@@H](C)CC(=O)Nc1cccc(Cl)c1 449472892 GMPJHQBPGFHJBJ-LBPRGKRZSA-N 280.799 3.613 30 20 CHED Cc1c(C#N)c(N2CCS[C@@H](C)CC2)nc2ccccc12 450481142 AJYQFAJFHHGBCN-LBPRGKRZSA-N 297.427 3.747 30 20 CHED Cc1nsc(NC[C@H]2CSc3ccccc32)c1C#N 450562921 NPECYFPOXHVEKU-JTQLQIEISA-N 287.413 3.625 30 20 CHED CC[C@H](NC(=O)Nc1ccc(CC#N)cc1)C1CCCC1 454347650 SXUZRJHWDDGAPC-INIZCTEOSA-N 285.391 3.843 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)Nc1cccc(CC#N)c1 455911319 WDTJGLPSGFVLQZ-CQSZACIVSA-N 285.391 3.700 30 20 CHED C=CCCCC(=O)Nc1ccc2c(c1)CC[C@@H]2N(C)C 456273648 MDABRWCEHJKIEM-INIZCTEOSA-N 272.392 3.530 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 456281052 NQIXTDLKSWSPNL-FUHWJXTLSA-N 297.398 3.512 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 456987012 PTMSTZSKZKAMMT-KYHPRHEASA-N 273.420 3.649 30 20 CHED C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)C1CCC1 457482632 MSVZIDJJGXXRNB-CYBMUJFWSA-N 286.375 3.744 30 20 CHED C=CCC1(C(=O)N[C@@H](C)CCCc2cccnc2)CCC1 457944189 RAZPLXOCJNTESK-HNNXBMFYSA-N 286.419 3.655 30 20 CHED CCC1(C(=O)NCC#Cc2ccccc2)CCCCC1 460773447 KHQAJJDNLHWINT-UHFFFAOYSA-N 269.388 3.515 30 20 CHED C[C@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C)c1cccc(C#N)c1 462334405 JSLCEEXMDGXBRC-BSXFFOKHSA-N 298.430 3.850 30 20 CHED C[C@@H]1CCC[C@H]1N=c1c(C#N)c[nH]c2ccc(Cl)cc12 462822208 TYFUZSFNSLYAKZ-QMTHXVAHSA-N 285.778 3.782 30 20 CHED Cc1c(Cl)cnc(N2Cc3ccccc3C[C@H]2C)c1C#N 463470627 RYVLJYJJAKMAKO-LLVKDONJSA-N 297.789 3.866 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H](Cc2ccccc2)C1 466377263 CUJOKEBIWRXFEN-IAGOWNOFSA-N 286.419 3.615 30 20 CHED C=C[C@H](C)NC(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 466831401 LVLLPRSZQODXGC-GCVQQVDUSA-N 296.773 3.599 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCO[C@@H]1c1ccccc1 467359313 RQXZNWKMGIJHHP-ZWKOTPCHSA-N 299.414 3.649 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2c(C)cc(C)cc2C1 467885283 ISWNKKBNXPCDFM-SFHVURJKSA-N 271.404 3.790 30 20 CHED C=CCCCCN[C@@H](C)CCc1ccccc1[N+](=O)[O-] 471613111 PNMSROJBLOWKDN-AWEZNQCLSA-N 276.380 3.862 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(O)c(C)c1 473366082 APLMDPQWIVWOHY-UHFFFAOYSA-N 295.382 3.919 30 20 CHED C=CCN(Cc1cnccc1C)CC1CCCCC1 474280435 MVOGKPXXCNZLRH-UHFFFAOYSA-N 258.409 3.958 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H](C)C1 476421435 ZCJXKBKBDRSGTC-CABCVRRESA-N 298.430 3.996 30 20 CHED C=C(C)CN(C)C(=O)c1cc(CCC)c(C)s1 479342112 KMPTZGIXFGMDRS-UHFFFAOYSA-N 251.395 3.657 30 20 CHED CC(C)[C@H]1N(C(=O)C[C@@H](CC#N)c2ccccc2)CC1(C)C 480442345 CUMBVLNTKWVMCB-SJLPKXTDSA-N 298.430 3.967 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@H](c3ccccc3F)C2)cn1 481088741 JQXIXPAUYMSSKR-STQMWFEESA-N 281.334 3.841 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)cc1 481742149 MWMXMEILSZOVCT-GFCCVEGCSA-N 297.333 3.889 30 20 CHED C[C@H]1CCC[C@@H](Cn2nc(C#N)c3ccccc32)C1 484480669 QPUZTGPIFGSAMV-QWHCGFSZSA-N 253.349 3.734 30 20 CHED N#Cc1cccnc1/C=C\c1ccc(Br)cc1 486053967 URDOZEOKOANONG-YVMONPNESA-N 285.144 3.886 30 20 CHED CC(C)(C#N)CC(=O)Nc1cc(C(C)(C)C)sc1C#N 486440454 VJPHMTQUPFGTDD-UHFFFAOYSA-N 289.404 3.796 30 20 CHED C=C(C)CNC(=O)N(C)[C@@H](C)c1cc(C)ccc1C 488575940 MLQFWIVNTSLFFS-AWEZNQCLSA-N 260.381 3.582 30 20 CHED CCc1cccc(NC(=O)c2cc(C#N)cs2)c1CC 489542729 OCBAZEWPSLHNFU-UHFFFAOYSA-N 284.384 3.997 30 20 CHED C#C[C@H](C)N(C)C(=O)N(c1ccccc1)c1ccccc1 491325598 FAHYOZVLBXKZKU-HNNXBMFYSA-N 278.355 3.898 30 20 CHED C#C[C@H](NCc1cnn(C(C)C)c1)c1ccc(Cl)cc1 491771979 PROJCPYPPNMAGY-INIZCTEOSA-N 287.794 3.582 30 20 CHED N#CCCCOc1cccc(NCc2cncc(F)c2)c1 494559584 VSWLZTFGLFJQHU-UHFFFAOYSA-N 285.322 3.515 30 20 CHED C=CCN(CCOc1ccccc1F)Cc1cccs1 499054932 KQIZLOAWDLFOGW-UHFFFAOYSA-N 291.391 3.954 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC(F)(F)C1 499585543 VVGDJWYTNIXGQK-DGCLKSJQSA-N 259.340 3.530 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ncccc2CC)c1 499663939 VUQYWMOUKSWFOZ-UHFFFAOYSA-N 296.370 3.851 30 20 CHED C=CCc1cc(C)cc(OC)c1OCCCCOC 505547513 RDFQGGZOJLPSFB-UHFFFAOYSA-N 264.365 3.538 30 20 CHED N#CCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 505800866 FJYKBVNTUXJLLV-UHFFFAOYSA-N 293.345 3.613 30 20 CHED C=CCN(Cc1ccccc1)Cc1c(C)nc2ccccn12 508554359 UMRAHKBICZMSSM-UHFFFAOYSA-N 291.398 3.831 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1C 509507811 AYCMPUKJXURAAY-QGZVFWFLSA-N 292.382 3.618 30 20 CHED CCc1oc2ccccc2c1CN(CC)C[C@H](C)C#N 509784509 XDHAXDRGNSNURW-CYBMUJFWSA-N 270.376 3.977 30 20 CHED CCCN(C(=O)NCC(C)(C)C#N)[C@@H]1CCc2ccccc21 512922228 HNOAWVJKUSNAOX-MRXNPFEDSA-N 299.418 3.645 30 20 CHED C=C1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 513490945 QFNHEGNGZJUXEX-UHFFFAOYSA-N 257.377 3.552 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)C1(C#N)CCCC1 514686387 RXZRPRXPHJDWPF-UHFFFAOYSA-N 284.403 3.818 30 20 CHED CCCC(C)(C)NC(=O)Nc1cc(C#N)ccc1OCC 522623731 HFBKHDFSJMWRLV-UHFFFAOYSA-N 289.379 3.657 30 20 CHED C=CCCCSc1nc2sc(C)c(C)c2c(=O)n1C 522746749 RNHASXWYSDDWRU-UHFFFAOYSA-N 294.445 3.670 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 522983948 UTWXHJZXWWYKPA-SNVBAGLBSA-N 292.766 3.760 30 20 CHED C=CCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 525329239 OATTZVSYPOEOKR-AWEZNQCLSA-N 286.202 3.943 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@H](C)Cc2ccccc2C)n1 528907207 GSQAOZQMJIUYLA-WFASDCNBSA-N 298.411 3.815 30 20 CHED Cc1scnc1NC(=O)c1ccc(C(C)(C)C#N)cc1 529544340 JVLGXRHBCVEFBP-UHFFFAOYSA-N 285.372 3.505 30 20 CHED Cc1cc(Cl)cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 531657342 HYNPBFVOVOSXEV-MEDUHNTESA-N 290.794 3.851 30 20 CHED Cc1cn(Cc2ccc(F)cc2Br)cc1C#N 532343384 BJBBSZPBXWKINS-UHFFFAOYSA-N 293.139 3.618 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)Cc1ccccc1Cl 532801928 FNAZHYCPFTYYNK-CYBMUJFWSA-N 292.810 3.669 30 20 CHED N#Cc1ccncc1N1CCC(CCc2ccccc2)CC1 533982421 RFZCHADWXCECKV-UHFFFAOYSA-N 291.398 3.802 30 20 CHED FCCN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 537218188 BZDYOOSOGWICCN-VIFPVBQESA-N 289.194 3.868 30 20 CHED C=CCC[C@H](NCc1cc(F)cc(OC)c1)C1CC1 539066895 QOVAAAZEESIMJF-INIZCTEOSA-N 263.356 3.669 30 20 CHED C=C(CC)CS[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 539094694 BKIFAAFWGBJGHU-GJZGRUSLSA-N 291.460 3.994 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)CCC(C)(C)C 544403579 FECRLJMBVWRISP-IUODEOHRSA-N 252.402 3.503 30 20 CHED CSc1ccc(N(C)Cc2ccc(C#N)s2)cc1 544928717 HQCPOIXVEYMLRY-UHFFFAOYSA-N 274.414 3.978 30 20 CHED N#CCC[C@H](C#N)CNCC1CCC(c2ccccc2)CC1 554551460 JFOHOQIEWHUIHS-TVRKMHQQSA-N 295.430 3.994 30 20 CHED C=CCN(C)c1nnc([C@H](C)CC)n1Cc1cccs1 559168438 JZZXBBZGJQHNDY-GFCCVEGCSA-N 290.436 3.524 30 20 CHED C=CCCCOc1c(Br)cccc1CC#N 559645765 UQFSENLWINHIFF-UHFFFAOYSA-N 280.165 3.860 30 20 CHED CCOC[C@H](N[C@H](CC)c1ccc(C#N)cc1)C(C)C 560001858 COLBVOPIOJWTHO-SJORKVTESA-N 274.408 3.660 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccncc2N2CCCC2)no1 562969557 LZQZNLMOFGMXHV-UHFFFAOYSA-N 298.390 3.586 30 20 CHED CCO[C@@H](CC)C(=O)Nc1sc(C(C)(C)C)cc1C#N 565352536 ZZEOFZGZNMQKNK-NSHDSACASA-N 294.420 3.671 30 20 CHED C=CCCCCCNC(=O)c1ccn(C)c1C1CCC1 567624064 CULBKWNUZCUWBC-UHFFFAOYSA-N 274.408 3.769 30 20 CHED C=CC[C@H](CC)NCc1nc(C(C)C)n2ccccc12 569726038 ANSQMKPSFGWQHF-AWEZNQCLSA-N 271.408 3.902 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)NC1CCC2(CCCCC2)CC1 570642704 RCPVHMWVQDBARO-DYVFJYSZSA-N 274.408 3.545 30 20 CHED CCN(Cc1cccc(Cl)c1)Cc1ccc(C#N)cn1 576450827 UDXFBSNHMXSPFV-UHFFFAOYSA-N 285.778 3.629 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CCC2CCCC2)cc1 577837032 UQHMXPJGSBDIFN-KRWDZBQOSA-N 284.403 3.900 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C2CC3(CCC3)C2)c1 578895719 NPDVQYQNICRADX-UHFFFAOYSA-N 295.386 3.651 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1ncc(C#N)cc1F 579092123 IQXXCYJDOQJIHG-HNNXBMFYSA-N 267.307 3.500 30 20 CHED C=CCCC(=O)N(C)[C@H](CC)c1ccccc1OC 580486671 ODZJMGFCFUTEFJ-CQSZACIVSA-N 261.365 3.571 30 20 CHED C=CCCCCN[C@H]1CCc2c1ccc(OC)c2F 583588148 QVXOKIMTTIZYDZ-AWEZNQCLSA-N 263.356 3.768 30 20 CHED COc1ccccc1[C@H](CC(C)C)NC[C@H](C#N)CCC#N 584405405 FGBZOJLBMGZFMV-RDJZCZTQSA-N 299.418 3.816 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2/C=C\c2ccccc2)c1 588014069 OLXHLGBZXIXANB-JJEJIETFSA-N 275.355 3.635 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1ccc(O)c(Cl)c1 588480329 FBSKYPGTWVORLC-XQRVVYSFSA-N 274.703 3.647 30 20 CHED COc1cccc2c1CC/C(=C/c1c(C)noc1C)C2=O 588618360 PBPPEGOGKJQQAF-XFXZXTDPSA-N 283.327 3.513 30 20 CHED CC(C)C[C@@H](C)n1nccc1NC(=O)CCCCCC#N 588869183 HSSLJKPVPPQXPV-CQSZACIVSA-N 290.411 3.903 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)C(C)(C)C 590832471 DMOUSNFFFUHCAH-CJNGLKHVSA-N 279.428 3.536 30 20 CHED C[C@H](NC(=O)[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 591768100 FTBWLKIMOCDLJF-WWGRRREGSA-N 270.376 3.562 30 20 CHED CCCc1ccc(CCCC(=O)NCCCCC#N)cc1 592591152 LUZOIGYHDGNPPR-UHFFFAOYSA-N 286.419 3.772 30 20 CHED CC[C@@H](C#N)C(=O)N1CC2(CCCC2)c2c(F)cccc21 593443613 IJXGSPJTPFTKOM-LBPRGKRZSA-N 286.350 3.534 30 20 CHED C[C@H](CSc1ccccc1)N(C)c1ncccc1C#N 593480951 HNABGCJPICJENT-CYBMUJFWSA-N 283.400 3.570 30 20 CHED CC[C@H](CC#N)NC(=O)C1(c2ccccc2Cl)CCC1 593605091 GHSUENFNXAIBRF-GFCCVEGCSA-N 290.794 3.570 30 20 CHED Cc1cccc(C)c1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 593943753 ZOJPZMYDHQPUIC-HNNXBMFYSA-N 292.382 3.992 30 20 CHED CC[C@H](C#N)N(C)C(=O)C1=C(c2ccccc2)CCCC1 594093157 ZNMFENFQUWZUAC-OAHLLOKOSA-N 282.387 3.775 30 20 CHED C[C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC(C)(C)C1 594337028 DNRNJMHNTJALHA-GJZGRUSLSA-N 298.430 3.631 30 20 CHED C=CCCSCCN[C@H](c1ncc[nH]1)C1CCCCC1 595058270 GCFMUVCROKZUSJ-HNNXBMFYSA-N 293.480 3.930 30 20 CHED C=CCCSCCN[C@H](C)c1cc(OC)ccc1OC 595061274 ZSXQDBUUKTYJLY-CYBMUJFWSA-N 295.448 3.664 30 20 CHED N#Cc1ccc(CCSCc2cc(C3CC3)no2)cc1 596384467 NRECASNPPVSZOI-UHFFFAOYSA-N 284.384 3.900 30 20 CHED CC[C@H]1CC[C@@H](C)N1C(=O)CC1(C#N)CCCCC1 597471561 PBYNDNJRVIIKCS-KGLIPLIRSA-N 262.397 3.640 30 20 CHED Cc1c(C(=O)N[C@]23CCC[C@@H]2C3)sc2ccc(C#N)cc12 597889302 LSFSMPQAVLHKPN-PXAZEXFGSA-N 296.395 3.754 30 20 CHED Cc1ccc(CCCCC(=O)N2CCC[C@@H](CC#N)C2)cc1 597910838 BLSRZVZCMNXCST-SFHVURJKSA-N 298.430 3.860 30 20 CHED CCN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)[C@H](C)C#N 598349213 KAGIRGSIFATGGT-GHMZBOCLSA-N 298.308 3.727 30 20 CHED CCN(C(=O)CCC(C)(C)c1ccccc1)[C@H](C)C#N 598358413 OPCKSQCYKZKTSC-CQSZACIVSA-N 272.392 3.505 30 20 CHED C[C@@H](CN(C)CCCSCC#N)C1CCCCC1 599632787 DZGJZSWRDTXQQJ-AWEZNQCLSA-N 268.470 3.781 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)c1ccccc1CC#N 601538466 KHJVTOFIORJORE-AWEZNQCLSA-N 284.403 3.841 30 20 CHED Cc1cc(-c2cc(C(F)(F)F)nn2C[C@@H](C)C#N)c(C)o1 601932313 JIWOWPQIZJPCJJ-QMMMGPOBSA-N 297.280 3.938 30 20 CHED CC1(C)C[C@@H](N[C@@H](CCC#N)c2ccccc2)CCO1 601964392 PPYCVUZHVLHXSS-HOTGVXAUSA-N 272.392 3.579 30 20 CHED CC1(C)C[C@H](N[C@H](CCC#N)c2ccccc2)CCO1 601964393 PPYCVUZHVLHXSS-HZPDHXFCSA-N 272.392 3.579 30 20 CHED C[C@@H](CCC#N)CN1CC[C@H](Cc2ccc(F)cc2)C1 602469123 ADADDMBIEJOXIZ-GOEBONIOSA-N 274.383 3.630 30 20 CHED C=C(C)CSCCOCc1ccc(OC)cc1 609394110 KOEXGGOVQRDDFT-UHFFFAOYSA-N 252.379 3.521 30 20 CHED C[C@@H](C#N)C(=O)N[C@H](CC1CCCCC1)C(C)(C)C 609921532 IFKGFKLWCKXGCU-GXTWGEPZSA-N 264.413 3.647 30 20 CHED C[C@H](NC(=O)NC[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 610355628 AWNLSOZIJWETGD-JKIFEVAISA-N 299.418 3.745 30 20 CHED C[C@H](NC(=O)[C@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 611118311 RTKLXIKTXIOSHL-BBRMVZONSA-N 284.403 3.952 30 20 CHED CCc1cccc(OCCN[C@H](C)c2cccc(C#N)c2)c1 611387613 QOJSBLNBXXGKOZ-OAHLLOKOSA-N 294.398 3.850 30 20 CHED C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(C#N)c1 611408753 ABMNWBBWOKAUBC-LLVKDONJSA-N 296.757 3.803 30 20 CHED CC(C)Cc1ccc(CC(=O)N2CCC[C@](C)(C#N)C2)cc1 612243729 YXUNXSNSGJKGHT-LJQANCHMSA-N 298.430 3.580 30 20 CHED CC1(C)Cc2cccc(CN3CCC[C@@](C)(C#N)C3)c2O1 612405890 DMTPDCXOPHNYBF-SFHVURJKSA-N 284.403 3.526 30 20 CHED C=CCC1(NC(=O)CC/C=C\c2ccccc2)CCOCC1 618247697 GZKFQGKVWAXEGB-POHAHGRESA-N 299.414 3.722 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 620858256 BMLBSHCBTNTXHR-NWDGAFQWSA-N 293.357 3.929 30 20 CHED C=CCN(C(=O)c1cccc(C(F)(F)F)n1)C(C)(C)C 622945828 UYHDZNPJBWFYPA-UHFFFAOYSA-N 286.297 3.527 30 20 CHED C=CCOc1c(Cl)cc(CNC[C@H]2C[C@@H]2C)cc1OC 623357310 ILOLXBFHHJJPPP-WCQYABFASA-N 295.810 3.659 30 20 CHED C=CC[C@H](C)NC(=O)C1(c2cc(F)cc(F)c2)CCCC1 625698408 BMZVEMQNGUQBML-LBPRGKRZSA-N 293.357 3.857 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc2cc(O)ccc12 632780681 NGNZQOBJSGPYDU-AWEZNQCLSA-N 281.355 3.726 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc2c(O)nccc12 640243019 OGBVLUOXMPEHFR-GFCCVEGCSA-N 299.374 3.807 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 642015765 IPKAOZWUUAIWJW-IJEWVQPXSA-N 287.403 3.806 30 20 CHED C=CCC(C)(C)CNC(=O)COC[C@@H](C)c1ccccc1 650054736 NAVWWZDBWLTZSJ-OAHLLOKOSA-N 289.419 3.525 30 20 CHED C=C(C)C[C@H](C)C(=O)NCC[C@H]1CCc2ccccc2N1 653232614 GGQITJOOUQAKJO-GOEBONIOSA-N 286.419 3.522 30 20 CHED C=CCCCC(=O)Nc1ccc(-c2ncco2)cc1C 655102457 ADYNBAXQSXFUOQ-UHFFFAOYSA-N 270.332 3.945 30 20 CHED C=CCCOCc1nc(-c2ccc(C(F)(F)F)cc2)no1 680679685 WMGFODNUDQGKEL-UHFFFAOYSA-N 298.264 3.848 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)c1c(C)noc1C)c1ccccc1 681661146 PRECHZQONYDTII-WBMJQRKESA-N 298.386 3.829 30 20 CHED CCc1ccc(CN[C@@H](C)CC(C)(C)C#N)s1 695860402 UVSMTOINEIGZNW-NSHDSACASA-N 250.411 3.728 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc(Br)cc1 695866399 YPQXFEUAOMNAJM-NSHDSACASA-N 295.224 3.867 30 20 CHED N#Cc1cc(F)cc(NC(=O)CCCc2cccs2)c1 720282752 KTYSIXXRFIHFKL-UHFFFAOYSA-N 288.347 3.720 30 20 CHED C=CCCC(=O)N1CCc2cc(C(C)(C)C)ccc21 726505580 MNQOVVNGFMSLPS-UHFFFAOYSA-N 257.377 3.839 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C/c1cc(OC)ccc1O 727781847 YMMCVFRKIRHCIJ-HUCUOGIVSA-N 283.371 3.841 30 20 CHED COc1ccc(C=NNCCCc2ccccc2)cc1C 729146204 PJIUGVQNSRYBIZ-UHFFFAOYSA-N 282.387 3.560 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1ccc(F)cc1C 731312699 RAEIJVQKCRXBEP-UHFFFAOYSA-N 286.306 3.668 30 20 CHED FC(F)Oc1ccc(C=NNC2CCCC2)cc1Cl 731487018 KISCHDWXHWWESL-UHFFFAOYSA-N 288.725 3.808 30 20 CHED C=CC1CCN(C(=O)C(F)(F)c2cccc(Cl)c2)CC1 732003542 YEMWGACXWGHJOJ-UHFFFAOYSA-N 299.748 3.856 30 20 CHED CCC(=NNCCN1CCCCC1)c1ccc(Cl)s1 733203478 LQGXKNIUOWRFRK-UHFFFAOYSA-N 299.871 3.591 30 20 CHED C=CCCC(=O)O[C@H]1CCc2c(Cl)cccc21 733699420 RSKFCVFJRITLOX-ZDUSSCGKSA-N 250.725 3.837 30 20 CHED C=CCCOCC(=O)OCCc1ccc2ccccc2c1 733862414 XRUAPPHWEVLYKZ-UHFFFAOYSA-N 284.355 3.518 30 20 CHED C#CC(C)(C)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 733885348 AOEBXBAHIRBOIK-LLVKDONJSA-N 297.320 3.727 30 20 CHED C=CCCCOC(=O)c1ccccc1NC(=O)CC(C)C 735529224 YUDIAQVOHKNENP-UHFFFAOYSA-N 289.375 3.794 30 20 CHED C=C(C)CNC(=S)NC(C)(C)c1cccc(Cl)c1 737447788 FDNGYLIZFGGBJQ-UHFFFAOYSA-N 282.840 3.615 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 741845672 VIEUCVCOPHQGGB-RQSUVKSXSA-N 288.347 3.688 30 20 CHED C=CC[C@H](NC(=O)N[C@H](C)C[C@H](C)CC)c1ccncc1 745829199 YUPAQLQTQIZPQU-FMKPAKJESA-N 289.423 3.823 30 20 CHED CCCCCCCCCN(C)C(=O)CC1(O)CCCC1 746152854 SXQADEGJQGDIGL-UHFFFAOYSA-N 283.456 3.891 30 20 CHED C=C(Cl)CN(CCC)Cc1ccc(OC)cc1 746653798 WELHXPOBEBVMSA-UHFFFAOYSA-N 253.773 3.660 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C(C)c1cccc(C)c1 746679377 FLLSIKLQEDASIE-UHFFFAOYSA-N 299.330 3.748 30 20 CHED CC(C)Oc1cccc(CNCc2cc(C#N)cs2)c1 748099109 FFZRZNDMPOKUAA-UHFFFAOYSA-N 286.400 3.697 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)OCc2ccc(C#N)cc2F)C1 750242233 QAGQCAKQJRSHAH-OLZOCXBDSA-N 289.350 3.957 30 20 CHED CC(C)(COC(=O)c1cc(C#N)cs1)c1ccccc1 752180368 GVNURHYQSZHLPZ-UHFFFAOYSA-N 285.368 3.754 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 753414072 URABHACOANQMMZ-DZGCQCFKSA-N 289.375 3.731 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C1\CC[C@@H](C)C1 753596928 OZXIPIXMXRRPPR-RGHBXIHOSA-N 285.362 3.534 30 20 CHED C=CCN(C(=O)[C@H](OC1CCCC1)c1ccccc1)C1CC1 754417346 SROPXGLDKSYXAL-GOSISDBHSA-N 299.414 3.864 30 20 CHED COc1cc(C=NOCc2ccccc2)c2c(c1)C[C@H](C)O2 755633517 VOXUUEWYQGGFDF-ZDUSSCGKSA-N 297.354 3.569 30 20 CHED CC1(C)CC(=NNc2ccc3ccccc3n2)C(C)(C)O1 755873128 WGMDNXHJARANOX-UHFFFAOYSA-N 283.375 3.980 30 20 CHED CCON=Cc1ccc(Br)cc1SC 755891564 BEZSHFBJUZQNCC-UHFFFAOYSA-N 274.183 3.541 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H]1CCc2ccc(F)cc21)OCC 756569931 LOYDYOHOCMOFBH-HOTGVXAUSA-N 292.350 3.728 30 20 CHED N#Cc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)o1 757702457 DNLMDMOUQTXMMM-INIZCTEOSA-N 294.354 3.687 30 20 CHED C#CCCCCNC(=O)c1cccc(OCC=C(C)C)c1 758630433 BCMJQPJAOIQWLQ-UHFFFAOYSA-N 285.387 3.565 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1ccc(O)c(F)c1 759085768 YBCYMDTYGQHKLN-ONEGZZNKSA-N 283.711 3.537 30 20 CHED C#CCCN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 760848764 ZAWXCARQUYRXLX-CQSZACIVSA-N 293.842 3.661 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C)C(C)(C)C2)cc1 761224731 AEEAZEZPTSBPTP-HUUCEWRRSA-N 286.419 3.845 30 20 CHED N#Cc1c(F)ccc(/C=C2/C(=O)Oc3ccccc32)c1Cl 761479967 YPVSMZAKIOVLKT-YRNVUSSQSA-N 299.688 3.810 30 20 CHED CCC(CC)[C@H](C)C(=O)OCc1cc(C#N)ccc1OC 761492503 STSVTAVJAVEJKX-LBPRGKRZSA-N 289.375 3.682 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1C[C@]12CCOC2 763509540 IMSQWFRTBAOXAW-WBVHZDCISA-N 281.440 3.670 30 20 CHED C=CCCCC(=O)Oc1cc(OC)ccc1Br 763545823 FBUAOLBTUHGXLT-UHFFFAOYSA-N 299.164 3.719 30 20 CHED COc1ccsc1/C=C1\CCc2cc(C#N)ccc2C1=O 764443200 VBKRPNXQWVJHTI-UKTHLTGXSA-N 295.363 3.841 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCC2CC2)cc1 764828174 PYXBJWVZNLVPEJ-GFCCVEGCSA-N 265.784 3.879 30 20 CHED Cc1cc(OC(=O)CCCC(F)(F)F)ccc1C#N 765092441 VIBRCKIBMCFFFJ-UHFFFAOYSA-N 271.238 3.505 30 20 CHED Cc1cc(OC(=O)C(F)(F)c2ccccc2)ccc1C#N 765094403 KIDFLDJZXUUEMY-UHFFFAOYSA-N 287.265 3.564 30 20 CHED Cc1cc(OC(=O)Cc2ccccc2Cl)ccc1C#N 765098496 ORLXBKSXFNPWJW-UHFFFAOYSA-N 285.730 3.668 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1cc(Cl)ccn1 766029782 OQKRRHMGLCDPLN-VIFPVBQESA-N 251.761 3.959 30 20 CHED CC/C=C\CCOC(=O)C(C)(C)Oc1ccc(C#N)cc1 766287205 ZLBLKZMJSYLBTM-WAYWQWQTSA-N 287.359 3.615 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2ccc(C)c(C)c2)c1 766501066 DWOYDVPBZUOMEJ-SREVYHEPSA-N 284.311 3.579 30 20 CHED C=C(C)CNC(=S)N(C)CC12CC3CC(CC(C3)C1)C2 767923211 TXZQUZZYPLPKTK-UHFFFAOYSA-N 292.492 3.585 30 20 CHED CC(C)(C)c1ccc(C(=O)OCC2(C#N)CCC2)s1 768099251 OMGZWDOHWLEIBC-UHFFFAOYSA-N 277.389 3.896 30 20 CHED C#CCN(CC)Cc1nc(C2CCCCC2)cs1 769731414 RNUZSANHXHKNPW-UHFFFAOYSA-N 262.422 3.646 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)Oc2ccc(C#N)cc2F)C1 769738065 BXVMBWAZELZJAL-VXGBXAGGSA-N 275.323 3.819 30 20 CHED N#Cc1ccc(OC(=O)/C=C\Sc2ccccc2)c(F)c1 769740182 KKSBPLDYOQPCLK-HJWRWDBZSA-N 299.326 3.909 30 20 CHED CCC[C@H](C=NNCC(F)(F)F)c1ccccc1 769809021 WZMZJFMESUIUJG-GFCCVEGCSA-N 258.287 3.708 30 20 CHED C#C[C@@H](C)N(C)CC/C=C/c1ccc(Br)cc1 769978412 XYMNMJMPEPYTIR-VUDGCMKMSA-N 292.220 3.806 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2ccc(F)c(C#N)c2)c1 770571422 DABOHMQXCSEHKM-DAXSKMNVSA-N 281.286 3.608 30 20 CHED C#CCCCCC(=O)Nc1cc(C2CCCCCC2)[nH]n1 773386763 AAWKFACXLJTBQX-UHFFFAOYSA-N 287.407 3.980 30 20 CHED CCCCCCCCC(=O)OCc1nnc(C)s1 773498966 ZBESBFAAPLSVOW-UHFFFAOYSA-N 270.398 3.640 30 20 CHED CCN(C)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 773809259 AMKKWTBDCONPNO-HNNXBMFYSA-N 293.414 3.865 30 20 CHED CC(=NOC1CCOCC1)c1ccc(Cl)cc1Cl 774439557 AOIBWZSQYXUXDR-UHFFFAOYSA-N 288.174 3.913 30 20 CHED C#CC[C@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1 775399514 RYHCIAPWDCKXIV-STQMWFEESA-N 268.187 3.534 30 20 CHED C=C(C)CCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 775641983 SNZJMNPYIDHQPB-HUUCEWRRSA-N 296.455 3.578 30 20 CHED N#C[C@@H](OC(=O)[C@H]1CCOc2ccccc21)C1CCCCC1 776383416 LYXGBGDRPYTNNI-DOTOQJQBSA-N 299.370 3.568 30 20 CHED C=CCCC(=O)COC(=O)c1ccccc1SCC=C 777076889 VWEHSHPBQLWZND-UHFFFAOYSA-N 290.384 3.657 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2cc(Cl)ccn2)o1 777907421 ULOYXGLIDXMGCW-CABZTGNLSA-N 275.739 3.897 30 20 CHED CC1(C)C[C@@H](Nc2nc3ccccc3cc2C#N)C(C)(C)O1 777996932 FJHIQYUAMDBVPR-OAHLLOKOSA-N 295.386 3.864 30 20 CHED C#CCCCOC(=O)[C@@H](CCC=C)c1ccccc1 778559005 IPGSEPBEOBPJNJ-INIZCTEOSA-N 256.345 3.693 30 20 CHED COc1ccc(C)cc1C(C)=NNc1ccc2[nH]ncc2c1 779820013 ANVFPIGCYZDRLY-UHFFFAOYSA-N 294.358 3.716 30 20 CHED C#CC[C@H](NC(=O)C1C[C@@H](C)C[C@H](C)C1)c1ccccc1 780012219 BDBFAULGHUPVOA-MPGHIAIKSA-N 283.415 3.940 30 20 CHED CC(Cc1ccccc1F)=NNc1nc2ccccc2[nH]1 780188155 HBNXGFWJJZRTEM-UHFFFAOYSA-N 282.322 3.733 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(Cl)s1 780249738 ISEBFPKVLCXSBR-JTQLQIEISA-N 286.828 3.673 30 20 CHED Clc1cncnc1NN=C1CCCCc2ccccc21 780282942 MIWRBRQVFJJJOO-UHFFFAOYSA-N 286.766 3.673 30 20 CHED N#CC1(COC(=O)c2cnc(C3CC3)s2)CCCCC1 780488254 MCUXOGCGDPVMOT-UHFFFAOYSA-N 290.388 3.651 30 20 CHED C=CCOc1ccc(CNC[C@@H]2CCC=CO2)cc1Cl 780566148 DQSOWGIGPICZGB-AWEZNQCLSA-N 293.794 3.687 30 20 CHED CC[C@H](C#N)OC(=O)c1ccccc1OCc1ccccc1 781131388 HOSGSGBWZSQRJF-OAHLLOKOSA-N 295.338 3.725 30 20 CHED CCOc1ccc(C=NNc2nc3ccccc3[nH]2)cc1F 782128558 ZOKRBBZIAXANFA-UHFFFAOYSA-N 298.321 3.547 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc(F)c2cccnc12 782288608 QZGYLMFIUMONKN-HNNXBMFYSA-N 285.366 3.876 30 20 CHED Fc1ccc(C=NOCc2ccc(C(F)(F)F)cn2)cc1 783870444 MJXIEJGERGOCJW-UHFFFAOYSA-N 298.239 3.790 30 20 CHED N#Cc1ccc(COC(=O)C(C2CC2)C2CC2)c(Cl)c1 784240888 YECCKXJALCZSLE-UHFFFAOYSA-N 289.762 3.691 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1cccc(F)c1[N+](=O)[O-] 784832551 TXRKEJZEBUIELS-CQSZACIVSA-N 297.289 3.705 30 20 CHED C[C@@H]1CCC[C@@H](CCOC(=O)CC(C)(C)C#N)C1 785108575 RVPIIMGZWXRKGC-OLZOCXBDSA-N 251.370 3.686 30 20 CHED CCO[C@@H]1CC(=NNC2CCCCC2)C12CCCC2 786043668 RISZFPFJVWGFJP-OAHLLOKOSA-N 264.413 3.634 30 20 CHED C=CCCCC(=O)OCc1cc(-c2cccc(F)c2)on1 786780185 ZJVGWCAXTOZSJV-UHFFFAOYSA-N 289.306 3.880 30 20 CHED CCSc1ccc(C(C)=NOC[C@H]2CCOC2)cc1 788032694 WJTCRDBQTSDEDD-ZDUSSCGKSA-N 279.405 3.576 30 20 CHED Clc1ccc(CNN=Cc2cc3ccccc3[nH]2)cc1 788435112 OEQNHHPMPQGZCV-UHFFFAOYSA-N 283.762 3.945 30 20 CHED CCCCCC(CCCCC)=NN[C@@H]1CCOC1 788445440 DNXZSFKMTNDZSZ-OAHLLOKOSA-N 254.418 3.882 30 20 CHED C=CCSCCNC(=O)c1ccccc1CC(C)C 790533418 LFBZITRTJNVXAR-UHFFFAOYSA-N 277.433 3.534 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](OC1CCCC1)c1ccccc1 791200417 WEQAQBLMIPFVDF-SJLPKXTDSA-N 299.414 3.605 30 20 CHED C[C@H](NN=Cc1ccc(Br)s1)C(C)(C)C 793116551 ZGFADMGJPCDYIE-QMMMGPOBSA-N 289.242 3.869 30 20 CHED FC(F)(F)CCNN=Cc1cccc2ccccc12 794546134 RIZZYXZSEIBDOO-UHFFFAOYSA-N 266.266 3.716 30 20 CHED CCCCOc1ccc(C=NOCCSC)cc1 794574514 HFWJSXWGLYGZFH-UHFFFAOYSA-N 267.394 3.579 30 20 CHED FC(F)(F)CCON=CCc1cccc(Cl)c1 794933390 UQHJHYTUZXSZLE-UHFFFAOYSA-N 265.662 3.837 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCc2cc(C)ccc21 797998437 GLVMLTZCFVRVHF-NXHRZFHOSA-N 271.404 3.553 30 20 CHED CC(=NNc1cccc(F)c1)c1coc(C(C)C)n1 799478137 SZBDMTHZELVKQX-UHFFFAOYSA-N 261.300 3.773 30 20 CHED CCc1cccc(C)c1NN=C(C)c1ccncc1 799493595 IHVDZLBFHRUNAZ-UHFFFAOYSA-N 253.349 3.789 30 20 CHED Clc1ccc(CNN=C2CCCC23CCOCC3)cc1 799881760 XUFMHVNMANSELB-UHFFFAOYSA-N 292.810 3.766 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(C)cc(C)n2)CCCC1(C)C 800963486 CAYYPBKFIVPBQN-MRXNPFEDSA-N 286.419 3.905 30 20 CHED N#CCC1CCN(Cc2ccc(Cl)nc2Cl)CC1 801538571 JLRYMEUEXGBDKE-UHFFFAOYSA-N 284.190 3.514 30 20 CHED CCN(CCO[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 801915692 MDRHXUNHIUZNKL-KBPBESRZSA-N 286.375 3.744 30 20 CHED C=C(C)CCOC(=O)c1cc2ccccc2nc1C 803247985 OGHRFFUHGIGNIP-UHFFFAOYSA-N 255.317 3.666 30 20 CHED N#Cc1sc(N[C@H]2C[C@@H]2Cc2ccccc2)nc1Cl 804504940 UNWGLODTMDAIRL-QWRGUYRKSA-N 289.791 3.711 30 20 CHED CC(C)Oc1cccc(COC(=O)CCCCCC#N)c1 805697325 UMUKLEIKIDXAQZ-UHFFFAOYSA-N 289.375 3.991 30 20 CHED CCCCCCCCC(=O)N[C@H](C)C(F)(F)F 807895987 SKGJQVMTMKEPML-SNVBAGLBSA-N 253.308 3.804 30 20 CHED Cc1csc(NC(=O)CCCc2ccsc2)c1C#N 809003499 YGPZEHVYXNSZOL-UHFFFAOYSA-N 290.413 3.951 30 20 CHED CCCCCCCCC[S@@](=O)Cc1ncc(C)cn1 809171331 OHTXQTMZCYTJEF-LJQANCHMSA-N 282.453 3.784 30 20 CHED C#C[C@H](N[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(Cl)cc1 811517218 LIHBZIKKLJSOMZ-YESZJQIVSA-N 291.822 3.808 30 20 CHED CCCC[C@H]1CCCC1=NNC[C@H]1CCSC1 811661105 DWDHWAXDWISUPY-OLZOCXBDSA-N 254.443 3.675 30 20 CHED CC(=NOC/C=C/Cl)c1nc2c(s1)CCCC2 811669797 JHRBOEZFLFKMMT-ZJPUZTQDSA-N 270.785 3.515 30 20 CHED C=CCC(=NOC/C=C\Cl)c1ccc(F)cc1 811671060 MTOPMZHQZWAOQO-DBONXNBBSA-N 253.704 3.875 30 20 CHED Cl/C=C/CON=Cc1ccc(N2CCCCC2)s1 811671462 FXRUWOQDOHCBJE-PVSDPCLQSA-N 284.812 3.841 30 20 CHED COCc1ccccc1/C=C(/C)C=NOCCOC(C)C 814228958 NPCVLDRBHNYNJI-WZNXGOTESA-N 291.391 3.664 30 20 CHED CC(=NOCCC1CC1)c1ccc(F)cc1OC(F)F 814246693 VQZRVJAHJINZNX-UHFFFAOYSA-N 287.281 3.968 30 20 CHED COc1ccc(NN=C2CC[C@@H](c3ccccc3)C2)nc1 814909054 HCACDJFLYRPNBC-CQSZACIVSA-N 281.359 3.826 30 20 CHED COC1(C=NNc2ccc(F)c(F)c2F)CCCCC1 814946391 LPNSOEMUUGDDNV-UHFFFAOYSA-N 286.297 3.851 30 20 CHED N#CC1(CSCC[C@@H]2CC2(Cl)Cl)CC1 818156599 JNPSXGUYQFBCBA-MRVPVSSYSA-N 250.194 3.607 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)NCCCCCCC(C)C 822394413 QFTFKPSFXYCLQK-UHFFFAOYSA-N 275.396 3.531 30 20 CHED CCOc1ccc(C(F)(F)F)cc1NC(=O)C#CC(C)C 823631008 FPVOLSHCJDVOMY-UHFFFAOYSA-N 299.292 3.702 30 20 CHED CC[C@H]1C[C@H](Nc2ccc(OC(C)C)c(C#N)c2)CCO1 824126014 STGWBGDQMOVMTB-CVEARBPZSA-N 288.391 3.715 30 20 CHED C[C@@H](O)c1cc(NC2CCC(C)(C#N)CC2)ccc1F 824376518 ILJKWHQLJZYWLX-OPGSHWCFSA-N 276.355 3.763 30 20 CHED Cn1c(Cl)cnc1/C=C/C(=O)c1cccc(C2CC2)c1 834444896 WDKYLLLRSRZRLO-BQYQJAHWSA-N 286.762 3.847 30 20 CHED C=CCCc1noc(-c2cc(C)ccc2N2CCCC2)n1 834818235 JNAODOQEOYUJCK-UHFFFAOYSA-N 283.375 3.764 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCc3ccc(OC)cc32)c1 834904122 VJTUFZKCAHMORJ-HXUWFJFHSA-N 291.394 3.844 30 20 CHED CC(=NNc1ccc(Cl)nn1)[C@@H]1CCCC[C@@H]1C 834921795 WZTUOWBVODHIJH-GXSJLCMTSA-N 266.776 3.744 30 20 CHED N#CCc1ccccc1C(=O)OC[C@H]1CCCCC1(F)F 837402649 MPNHFEFPKXIZRZ-CYBMUJFWSA-N 293.313 3.735 30 20 CHED C=CCCCCOC(=O)C[C@H](O)c1ccc(Cl)cc1 837562316 YSCHIHOLUFGREO-AWEZNQCLSA-N 282.767 3.663 30 20 CHED COc1cc(C)c(NC(=O)C#CC(C)(C)C)c(C)c1C 837654321 VETXYUXBVINSOH-UHFFFAOYSA-N 273.376 3.608 30 20 CHED CCCCCCCCNC(=O)N1CC[C@H](O)CC(C)(C)C1 838526850 CZPSFGJOVCPEAD-HNNXBMFYSA-N 298.471 3.539 30 20 CHED C#CCC[C@H](C)OC(=O)/C=C/c1nc2ccccc2s1 839032940 VVYPVTONCGHOOE-IIANPFDCSA-N 285.368 3.655 30 20 CHED COc1ccc(O)c(/C=N\CC2(c3ccccc3)CC2)c1 839385935 IAFDSKGSCYLOEH-UNOMPAQXSA-N 281.355 3.552 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C/c1c(C)cnn1C)CC2 843274316 WLFJRGOQAYFQGP-MDWZMJQESA-N 298.411 3.663 30 20 CHED C[C@H]1CCCCCC1=NNc1ncc(F)cc1F 844602373 PTEJOLGYCSUAEN-VIFPVBQESA-N 253.296 3.728 30 20 CHED C#CCCc1noc(CCc2c(Cl)cccc2Cl)n1 848606257 DSAXPJFEWQSKOU-UHFFFAOYSA-N 295.169 3.727 30 20 CHED N#Cc1cccc(-c2cc(C(=O)OCCC3CCC3)on2)c1 849769197 UAPSDAOQDRORNN-UHFFFAOYSA-N 296.326 3.560 30 20 CHED CCCC[C@](C)(F)C(=O)OCc1ccc(F)c(C#N)c1 849847584 WPJBSWYKELTCDX-HNNXBMFYSA-N 281.302 3.659 30 20 CHED N#C[C@@H](SC1CCC2(CC1)OCCO2)c1ccccc1 849941146 NMGZQRPODRLAPM-OAHLLOKOSA-N 289.400 3.670 30 20 CHED COCc1csc(C(=O)O[C@@H](C#N)C2CCCCC2)c1 850075293 NYZUESDNFYYCBT-ZDUSSCGKSA-N 293.388 3.524 30 20 CHED N#Cc1cccc(COC(=O)C2CCC3(CC2)CC3)c1 850265723 PDHCVNIIWSBTGR-UHFFFAOYSA-N 269.344 3.572 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C\c1cccc(F)c1 851212828 BPDWXXALSPHAJP-QDZRJHCZSA-N 275.323 3.710 30 20 CHED C=C[C@H](OC(=O)[C@@H](C)C(C)(F)F)c1ccccc1 851452291 QIWAGVZFCAHUBF-PWSUYJOCSA-N 254.276 3.748 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1cncc(Br)c1 853350889 YEOVGUKGAOYDOJ-JTQLQIEISA-N 298.228 3.592 30 20 CHED COCC(CC(C)(C)C)=NNc1ccnc(Cl)c1 853396501 BDDOEMRHNFKZAM-UHFFFAOYSA-N 269.776 3.586 30 20 CHED Cc1ccc(NN=C2[C@@H]3CCCO[C@@H]3C2(C)C)cc1F 853438563 GVJZRHRZMGHJJL-WFASDCNBSA-N 276.355 3.737 30 20 CHED CCc1ccc(C=NOCc2ccc(C(=O)OC)cc2)cc1 853970783 KLRSPTRUXQOQIW-UHFFFAOYSA-N 297.354 3.586 30 20 CHED CCC(C=NNc1ncc(Cl)cn1)(CC)CC 857221022 QQAMTJSAFVSGCQ-UHFFFAOYSA-N 254.765 3.744 30 20 CHED C#CCCOC(=O)N[C@@H](CC)c1cc(C)ccc1C 859366682 MLCYZICAXZTZSJ-HNNXBMFYSA-N 259.349 3.504 30 20 CHED CCCCCCCNC(=O)Cc1ccc(C(C)=O)cc1 862360298 DTULYUHAOMKEIE-UHFFFAOYSA-N 275.392 3.518 30 20 CHED CCn1ccnc1S[C@@H](C#N)CCc1ccccc1 865350274 KMVHDRRNRCETEP-CQSZACIVSA-N 271.389 3.520 30 20 CHED C=CCOCSc1nnc([C@@H](CC)c2ccccc2)o1 865355434 MRVXSWWEKFZQKF-ZDUSSCGKSA-N 290.388 3.864 30 20 CHED C=CCC[C@@H](C(=O)NCCC(C)(C)OC)c1ccccc1 871257827 CSNCMTUGMGJKCM-MRXNPFEDSA-N 289.419 3.668 30 20 CHED C#C[C@H](NC[C@H](C)CCC#N)c1ccc(Cl)cc1F 877517884 QTYPMOSAIAXUQB-ABAIWWIYSA-N 278.758 3.683 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1c1ccc(COC)o1 879508767 UFEWQMUEPDAOAI-AWEZNQCLSA-N 291.391 3.692 30 20 CHED N#CCC[C@@H](N[C@@H]1CCc2cccnc21)c1ccccc1 886553661 SNPCKLNQMGIKRZ-IAGOWNOFSA-N 277.371 3.704 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCCc3occc32)CC1 888901284 FHNNHFXZHZUGHF-AWEZNQCLSA-N 259.349 3.520 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1-c1ncc(C)[nH]1 901119027 XJPWCRLPASQCKG-UHFFFAOYSA-N 283.375 3.926 30 20 CHED C=CC(C)(C)CCN[C@@H]1CCC[C@H](CCCC(=O)O)C1 902420531 AIQXTCFZYKIKIT-HUUCEWRRSA-N 281.440 3.992 30 20 CHED CC[C@@H](NCC1CCC(C#N)CC1)c1cccc(C#N)c1 902981121 IDCJVYHDUCEBDH-JTTJXQCZSA-N 281.403 3.929 30 20 CHED N#Cc1cc(N2CCC[C@H]2c2ccc(F)c(F)c2)ccn1 911904817 SFWQBLCNJZRFDU-INIZCTEOSA-N 285.297 3.573 30 20 CHED CC(=NNC(=S)NC1CCCCC1)c1cccc(C)c1 915927972 KZMIXRAFQKYFPA-UHFFFAOYSA-N 289.448 3.516 30 20 CHED CCCNN=Cc1ccc(OC)c(OCc2ccccc2)c1 915966081 WKOPWTIBJRJTRA-UHFFFAOYSA-N 298.386 3.608 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2ccc(O)c([N+](=O)[O-])c2)c1 916155988 ULWZXEWBBYVCSE-ALCCZGGFSA-N 297.310 3.813 30 20 CHED CC(=NNc1cc(C)ccc1C)c1ccc(O)cc1 916346234 YUFXPAUDXFAAKX-UHFFFAOYSA-N 254.333 3.845 30 20 CHED Cc1cccc(NN=Cc2cnc(-c3ccccc3)nc2)c1 917531031 PGLVBMBKTPYQBK-UHFFFAOYSA-N 288.354 3.898 30 20 CHED C=CCCOCCN[C@@H](c1ccc(C)cc1)c1ccccn1 925630417 AZYCMWQONHHTBK-IBGZPJMESA-N 296.414 3.662 30 20 CHED C=CCCCN[C@H](c1ccccn1)c1ccccc1OC 926324342 UREGHJSHUMHPBB-SFHVURJKSA-N 282.387 3.735 30 20 CHED COc1ccc(CN(C)CCCCC2(C#N)CCC2)cc1 929221667 TWPJLHLAYOVMBO-UHFFFAOYSA-N 286.419 3.991 30 20 CHED CCOC[C@H]1CCCN(CCCCC2(C#N)CCC2)C1 929643385 GQNAIYZFUIOICI-INIZCTEOSA-N 278.440 3.599 30 20 CHED CO[C@H]1CCN(CCCCC2(C#N)CCC2)CC1(C)C 930639543 HTPGVILVZNFJCR-HNNXBMFYSA-N 278.440 3.597 30 20 CHED CN(CCCSCC#N)c1ccc(Br)cc1 932503795 FEWKNPKHXDMIOB-UHFFFAOYSA-N 299.237 3.532 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1ccc(C(C)(C)C)nn1 1116219525 GFUOJGSIBYFOSO-LBPRGKRZSA-N 294.402 3.783 30 20 CHED CC(C)(C)OC(=O)Nc1ccc(C=NOC2CCC2)cc1 1117782119 ASBNAWJZWLMWDI-UHFFFAOYSA-N 290.363 3.937 30 20 CHED Cc1csc(C(=O)N[C@@H](C#N)C2CCCC2)c1Cl 1119668140 RHNFESWQMYFHOD-JTQLQIEISA-N 282.796 3.522 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@@H]1CNc2ccccc21 1122374347 NDXDPYVUYRMNQV-CABCVRRESA-N 284.403 3.543 30 20 CHED CCCC[C@H](CC)CNC(=O)c1cc(F)c(C#N)c(F)c1 1136165286 UCPSXGOPRRBYKP-NSHDSACASA-N 294.345 3.783 30 20 CHED C[C@@H]1CN(CCc2ccc(C#N)cc2)[C@@H]1c1ccccc1 1167576069 KILCLEXWENAGDR-BEFAXECRSA-N 276.383 3.794 30 20 CHED N#Cc1c(F)cccc1CNCc1cccc(C(F)F)c1 1180896598 IHMMDGOWDPWTEY-UHFFFAOYSA-N 290.288 3.925 30 20 CHED COc1cccc([C@H](C)Nc2nc(C#N)c(Cl)s2)c1 1184959622 XLHLPXLGPUKYKB-QMMMGPOBSA-N 293.779 3.850 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)c1cccc(C)c1)c1ccncc1 1252038055 DCCUSMXNRLBXOR-CRAIPNDOSA-N 294.398 3.927 30 20 CHED Cc1cc(C#N)nc(N[C@H](CCC(C)C)C(C)(C)C)n1 1306968555 QDMGZYZAOAWBHC-CQSZACIVSA-N 274.412 3.920 30 20 CHED Cc1cc(C)c(/C=C/CN(C)[C@H](C)CC#N)cc1C 1308589672 RADDFPZYXAXAKZ-FYCOFBDGSA-N 256.393 3.859 30 20 CHED N#Cc1cccc(NC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1 1310076621 NNIFKTXHZWNERB-HOCLYGCPSA-N 283.375 3.506 30 20 CHED C[C@H]1COc2ccccc2[C@H]1OC(=O)c1cc(C#N)cs1 1320242370 OQDXFCKKYUSOKS-BONVTDFDSA-N 299.351 3.546 30 20 CHED C=CCCCCCCCNC(=O)[C@H](C)n1cccc1 1323980290 WMKAJWBNGXVMDJ-HNNXBMFYSA-N 262.397 3.692 30 20 CHED C#CCN(CC1CC1)C(=O)C[C@@H](CC)c1ccc(C)cc1 1324382806 OKGWRQPIEJKCLS-QGZVFWFLSA-N 283.415 3.751 30 20 CHED Cc1cc(CSCC2(C#N)CC2)ccc1N(C)C 1325363333 SLWGPCBWKCBMRV-UHFFFAOYSA-N 260.406 3.598 30 20 CHED C=CC[C@@H](NC(=O)N(C)CCC(C)(C)C)c1ccncc1 1326753448 UPZDGUGZHCNQSX-OAHLLOKOSA-N 289.423 3.776 30 20 CHED CC(C)(C#N)CCOC(=O)C1(C(F)(F)F)CCCCC1 1330231381 RPHYAIFPZVQIKE-UHFFFAOYSA-N 291.313 3.982 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(-c2ccccc2)s1)C1CC1 1334537305 RHDQPHNSVFHTSS-LBPRGKRZSA-N 296.395 3.932 30 20 CHED CCO[C@@H]1C[C@H](Nc2cccc(CC#N)n2)C12CCCCC2 1338243877 LPAMRAUAYHFIKK-JKSUJKDBSA-N 299.418 3.687 30 20 CHED C=C[C@@H](Cc1nnc(C2CCC2)o1)c1ccccc1 1341505058 ROJGELNZLSGXOX-LBPRGKRZSA-N 254.333 3.849 30 20 CHED CCN(Cc1ccccc1F)C(=O)c1cc(C#N)ccc1C 1349999168 QKXULANMACPDMP-UHFFFAOYSA-N 296.345 3.668 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1csc(Cl)c1 1355068086 DAYMHXAXVJDCJX-NSHDSACASA-N 269.797 3.972 30 20 CHED Cc1cc(C#N)nc(NC[C@@H](c2cccnc2)C(C)C)c1 1355244191 OFDOKPCZOYVBEC-MRXNPFEDSA-N 280.375 3.508 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cccc(C3CCC3)c2)C1 1357651790 VIQSCVGYMWPUOO-MLGOLLRUSA-N 269.344 3.803 30 20 CHED C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccnc(C#N)c1 1472883724 FMWAHPZZGKSQNU-KSSFIOAISA-N 277.371 3.726 30 20 CHED Cc1cc(S[C@H](C)c2cnccn2)ccc1C#N 1473048910 GFDWNUJHNIADTE-LLVKDONJSA-N 255.346 3.510 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2ccc(C#N)cc2)CCC[C@H]1C 1527768687 NHNBOJZZYGHARC-XUJVJEKNSA-N 257.333 3.540 30 20 CHED Cc1c(NC(=O)c2ccc(CC#N)cc2)ccc(F)c1F 1528734868 NYKNHZKFEAIKGS-UHFFFAOYSA-N 286.281 3.592 30 20 CHED CC[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)[C@@H]1C 1539122108 QHFPDEZTCVMOSO-OLZOCXBDSA-N 288.416 3.563 30 20 CHED C=CCCc1ccccc1NC(=O)[C@]1(C(=O)O)CC=CCC1 1588460451 IFIMGVUUJPBNRO-SFHVURJKSA-N 299.370 3.555 30 20 CHED C=C(CC)CNC(=O)Nc1cc(C(=O)O)c2ccccc2c1 1588607325 ZILDKAJZYLOVOJ-UHFFFAOYSA-N 298.342 3.626 30 20 CHED C=C[C@](C)(CC)COC(=O)C12CCC(C(=O)O)(CC1)CC2 1588682806 QKFQCSKIFRFTNX-KLAILNCOSA-N 294.391 3.557 30 20 CHED C=CC[C@H](N[C@H](C)c1cccc(Cl)c1Cl)C(=O)O 1602842652 QGURKGYJSSOEBI-KCJUWKMLSA-N 288.174 3.673 30 20 CHED Cc1cc(N[C@@H](C)Cc2ccccc2Cl)ncc1C#N 1611809729 WHNOPDUQWLJDGY-LBPRGKRZSA-N 285.778 3.958 30 20 CHED CCCC[C@@H](CC)COC(=O)CS[C@H](C#N)C1CC1 1656237102 LELQCUJNIQYFKE-TZMCWYRMSA-N 283.437 3.781 30 20 CHED N#Cc1cccc(COc2ccc(F)c3cccnc23)c1F 1656695217 JIFDSLNKTJQKBR-UHFFFAOYSA-N 296.276 3.964 30 20 CHED CC(C)C1(C)CCN(Cc2cccc(C#N)c2)CC1 1658344896 CVSQMTXRCAQVTJ-UHFFFAOYSA-N 256.393 3.816 30 20 CHED Cc1ccccc1COC(=O)N1CCCC(C)(C)[C@@H]1C#N 1661840299 UGJVHXMXSSQWOU-HNNXBMFYSA-N 286.375 3.646 30 20 CHED C=C[C@H]1CCCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 1776150200 AVFCDXSZZGAYFI-LBPRGKRZSA-N 285.343 3.529 30 20 CHED C=CCCCCCN1C[C@@H](C(=O)O)C2(CCCCC2)C1 1776173022 HWNKLTKHXHRARK-HNNXBMFYSA-N 279.424 3.700 30 20 CHED Cc1cc(C#C[Si](C)(C)C)ccc1Br 1848350320 UGUFGFCMNHROPT-UHFFFAOYSA-N 267.242 3.986 30 20 CHED C=CCNC(=O)c1cn(Cc2ccccc2)c2ccccc12 15512241 CWDUZODEYLVYNF-UHFFFAOYSA-N 290.366 3.605 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C)cc2OC)cc1 24717867 KIYLVAIHSFSLAP-YRNVUSSQSA-N 282.339 3.908 30 20 CHED Cc1ccc([C@H]2CCCN2c2ncccc2C#N)cc1 30775274 GUKCSFIRKRZAFD-MRXNPFEDSA-N 263.344 3.603 30 20 CHED CO[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 37253469 VLSCNDRPKHUTCC-UONOGXRCSA-N 264.756 3.581 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 41546085 OEYKUUMHFRSKDR-ZDUSSCGKSA-N 276.295 3.626 30 20 CHED N#Cc1cccc(OCc2sccc2Br)c1 44427657 BKLBBBZCPYULPN-UHFFFAOYSA-N 294.173 3.961 30 20 CHED CCN(Cc1ccc(C#N)cc1)Cc1ccccc1C 48059328 BDUGYYYNSOBNBW-UHFFFAOYSA-N 264.372 3.889 30 20 CHED C=C(C)CN1C(=O)/C(=C\c2cccs2)SC1=S 48402698 KWOFAVNMCJOYGP-UXBLZVDNSA-N 281.427 3.525 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc3c(c2)CCO3)c1 48625188 XJBSAOCAIICEQQ-FNORWQNLSA-N 264.324 3.826 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(F)cc1Cl 49524633 CFBKEEWXHSRSBI-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1ccsc1C(=O)Oc1ccc(OCC2CC2)cc1 52033385 XYGADXGQSUANNZ-UHFFFAOYSA-N 299.351 3.628 30 20 CHED CCCCN(Cc1ccccc1F)c1ncccc1C#N 63737072 QDLVPBRKGSSANN-UHFFFAOYSA-N 283.350 3.899 30 20 CHED C[C@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 78833659 UHVOQTMMWWPRFK-GXSJLCMTSA-N 283.297 3.963 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cc(C)cc(F)c1 79732133 WNBOOPGJHZTLHM-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CCC(CC)(CC)NC(=O)N[C@H](C)c1cccc(C#N)c1 80588506 YUUHYDMFJSOOHC-CYBMUJFWSA-N 287.407 3.887 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CSc2ccccc21 83774513 LUNGFHBPDOHDFW-CQSZACIVSA-N 294.379 3.695 30 20 CHED N#CCc1ccc(C(=O)Nc2cccc3cnccc23)cc1 89485316 VRFWRYPICDNTPH-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C#C[C@@H](OC(=O)c1cccc(-c2csc(C)n2)c1)C1CC1 89491415 SZLXASPDAQTVIW-MRXNPFEDSA-N 297.379 3.687 30 20 CHED CCCN(CC#N)Cc1ccc(F)cc1C(F)(F)F 92398561 ODQQBUOZXMNUKH-UHFFFAOYSA-N 274.261 3.580 30 20 CHED CC1(C)Cc2cccc(CN(CCC#N)CC3CC3)c2O1 93091367 PKPVDPCOHFHWBZ-UHFFFAOYSA-N 284.403 3.526 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1cc(F)cc(F)c1 94826980 OIJTWBKJFRLNFL-LLVKDONJSA-N 272.298 3.687 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2sccc2C)c1 96766883 KGVJSBGULDXWIU-SREVYHEPSA-N 285.368 3.911 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(F)c(F)cc1F 105044599 YLKMHNVCFFSUGR-UHFFFAOYSA-N 272.270 3.534 30 20 CHED N#Cc1ccc(F)c(COc2c(F)cccc2F)c1 106003953 IWDOUTVYAXGIAC-UHFFFAOYSA-N 263.218 3.555 30 20 CHED N#Cc1ccc(OCc2nc(C3CCCCC3)no2)cc1 109529673 NAUZNWZKCDHCQS-UHFFFAOYSA-N 283.331 3.568 30 20 CHED Cc1csc([C@H](C#N)C(=O)/C=C/C2CCCCC2)n1 118141032 MTYCSUMKGLMSFU-SBDDDAINSA-N 274.389 3.764 30 20 CHED C#Cc1cccc(N(C)C(=O)c2nc3ccccc3s2)c1 119453863 ZFIQWCNAWFEJAI-UHFFFAOYSA-N 292.363 3.554 30 20 CHED N#CCC[C@@H](C#N)CN[C@H](c1ccccc1)C1CCC1 119884475 SKXTVXJMQOLVDK-WMLDXEAASA-N 267.376 3.561 30 20 CHED C=C(C)COCCNCc1cc(Cl)cc2cccnc12 119935000 MGMGUNSTOPNFRO-UHFFFAOYSA-N 290.794 3.571 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1N1CCCC1=O 121575157 SCPDDWPVJAIXNP-UHFFFAOYSA-N 298.386 3.520 30 20 CHED C=CCn1c(COc2ccccc2)nnc1SCCC 122728738 CUCYJTRFSFMQOV-UHFFFAOYSA-N 289.404 3.545 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C(F)(F)F)cc1 123263308 JVRUIBFLEQMKHF-UHFFFAOYSA-N 284.281 3.911 30 20 CHED COc1cc(F)c(NCc2cc(C#N)ccc2F)cc1F 125092629 KOAUDAKJIUIQQT-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1CCCCC1 126356065 XRPBKMKCXJNCTJ-UHFFFAOYSA-N 263.406 3.843 30 20 CHED CN(C(=O)c1ccc(Cl)s1)c1ccccc1C#N 127467265 WAXPTBDMUNMDTD-UHFFFAOYSA-N 276.748 3.550 30 20 CHED CN(CCC#N)c1ccc(CNCC2(C3CC3)CCC2)cc1 127621120 WRIZWWUHMINLMD-UHFFFAOYSA-N 297.446 3.706 30 20 CHED CC[C@@H](C(=O)N(C)c1ccccc1C#N)c1ccccc1 128660770 RWQPEVUBODDKBD-MRXNPFEDSA-N 278.355 3.715 30 20 CHED O=C(/C=C/c1cncs1)c1ccc(Br)cc1 129874774 GMFAMXGOAZMIGG-AATRIKPKSA-N 294.173 3.802 30 20 CHED Cc1cc(C(=O)/C=C/c2cncs2)cc(C)c1F 130089572 JXYFKHOUEKSHDB-ONEGZZNKSA-N 261.321 3.795 30 20 CHED C=CCC[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 130598649 STVIKWALGNAICJ-LBPRGKRZSA-N 258.365 3.802 30 20 CHED O=C(/C=C/c1cc2cc(F)ccc2o1)c1cccnc1 132411137 NGRDUFGJBSNVOX-SNAWJCMRSA-N 267.259 3.863 30 20 CHED C[C@H](Cc1ccc(F)cc1)Nc1cccc(OCC#N)c1 133737368 SJVLKRSLIBEDPP-CYBMUJFWSA-N 284.334 3.771 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](C)C1CC1)c1ccccc1 133751610 ODJHFSBFXOSRLL-XJKSGUPXSA-N 257.377 3.856 30 20 CHED N#Cc1ccccc1COc1cccc(CNCCCF)c1 136510503 HRLSYRPPMWXHEL-UHFFFAOYSA-N 298.361 3.586 30 20 CHED CCc1cc(C#N)c(NC(=O)CCCCSC)s1 150815079 GGMQMKZCJROGGS-UHFFFAOYSA-N 282.434 3.654 30 20 CHED Cc1cccc([C@H]2CCCN2c2ncc(C#N)cc2Cl)n1 150942628 OMODLWFJTHMCTK-OAHLLOKOSA-N 298.777 3.652 30 20 CHED Cc1cc(C)cc(CCC(=O)N(CC#N)C2CCCC2)c1 151730176 RYLMHBXOEHBPCJ-UHFFFAOYSA-N 284.403 3.531 30 20 CHED CCc1cc(OC[C@@H](C#N)CCC#N)ccc1Cl 153012050 AQAZNIASYKHVEM-LLVKDONJSA-N 262.740 3.725 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 155851901 ZAUCRBNACBFMPV-GWCFXTLKSA-N 285.309 3.890 30 20 CHED C=CCC[C@@H](NC(=O)N(C)CC(F)F)c1ccccc1 160509743 VRAPHENOUXPBQE-CYBMUJFWSA-N 282.334 3.600 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 161169623 UTWDBRGGBVXWOR-IRXDYDNUSA-N 265.356 3.636 30 20 CHED COc1ccc(OCCCSCCCCC#N)cc1 161171580 TUNYFHHPNWHESJ-UHFFFAOYSA-N 279.405 3.891 30 20 CHED C=CCN(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 161802652 HKABMOFFEHDJLU-GFCCVEGCSA-N 265.784 3.553 30 20 CHED C=CC1CCN(Cc2nc3ccccc3s2)CC1 171954129 CEUUBOCRSYPDDR-UHFFFAOYSA-N 258.390 3.694 30 20 CHED CC1CCN([C@@H](CNCC(C)(C)CCC#N)C(C)C)CC1 174266442 YCSXVKFCTKCRGM-KRWDZBQOSA-N 293.499 3.662 30 20 CHED CCO[C@H]1C[C@@H](NCC(C)(C)CCC#N)C12CCCC2 174654544 VULMWXPCTZTVGD-CABCVRRESA-N 278.440 3.644 30 20 CHED C=CCCCC(=O)N1CCc2ccc(Br)cc21 175637101 LXPLGIRGUXJRHS-UHFFFAOYSA-N 294.192 3.695 30 20 CHED CC[C@@H](C#N)OC(=O)c1oc2c(C)cccc2c1C 176021050 OOMQRIWCVRKXCO-NSHDSACASA-N 257.289 3.509 30 20 CHED C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 178376432 USAIPCAYAJTQPL-JTQLQIEISA-N 288.416 3.873 30 20 CHED Cc1cc(F)ccc1OC(=O)C1(C#N)CCCCC1 178801619 JTKGYMIHMBYVOJ-UHFFFAOYSA-N 261.296 3.514 30 20 CHED O=C(/C=C/C1=Cc2ccccc2OC1)c1ccc(Cl)nc1 179413588 URGLYCZYVPCUSS-FNORWQNLSA-N 297.741 3.950 30 20 CHED C#CCCCCC(=O)NCCc1csc2ccccc12 179772774 MOESSPLFFTVQER-UHFFFAOYSA-N 285.412 3.754 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(Cl)c(Cl)c1 180378545 LJIGTEBKXZSFSV-UHFFFAOYSA-N 258.148 3.642 30 20 CHED CC(C(=O)Nc1ccccc1O[C@@H](C)C#N)=C1CCCC1 183105858 KESXNTBWVILMMB-LBPRGKRZSA-N 284.359 3.806 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1 183355845 XWEPSUBZDAHMSY-DLBZAZTESA-N 293.451 3.855 30 20 CHED C[C@H](NCCCCC#N)c1nc(C(C)(C)C)cs1 184466026 IAVXZYKGGNUTGQ-NSHDSACASA-N 265.426 3.785 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1 185322272 IPCGVIHFMSZMGC-OAHLLOKOSA-N 298.336 3.826 30 20 CHED CC#CCCCC(=O)NC1(c2ccc(F)cc2F)CCC1 186105524 JUKWFCLVLKZNNB-UHFFFAOYSA-N 291.341 3.654 30 20 CHED C=CC[C@H](C(=O)N(C)C1CCCC1)c1ccccc1 186734532 DFBOAIFDJFNTLE-INIZCTEOSA-N 257.377 3.747 30 20 CHED CC(C)(C)C1CCC(C#N)(NC(=O)C[C@@H]2C=CCC2)CC1 187278443 JQIXJIOKFSQMNC-KSTDHSDQSA-N 288.435 3.958 30 20 CHED C=C(C)[C@@H](NCc1ccccn1)c1ccc(F)c(F)c1 187372305 HYZLGRIFAHPCKE-MRXNPFEDSA-N 274.314 3.767 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccccc1Cl 187510243 QFWUQUNZUMFQQO-UHFFFAOYSA-N 278.783 3.884 30 20 CHED C=CCC1(C(=O)N(C)CC2(c3ccccc3)CC2)CCC1 190704278 QEKFVQISDXTVDO-UHFFFAOYSA-N 283.415 3.923 30 20 CHED C[C@H](C#N)NC(=O)c1sc2cc(Cl)ccc2c1Cl 195444757 UAWSCLSFOYCFKV-ZCFIWIBFSA-N 299.182 3.850 30 20 CHED C=CC[C@@H](C(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 203769826 SFLVTWKRSFMHRU-YESZJQIVSA-N 269.388 3.890 30 20 CHED C[C@H](NC/C=C\c1ccccc1)c1ccc(C#N)cc1 220554738 BJCJEZNNQVOPCQ-KKTNHOPESA-N 262.356 3.922 30 20 CHED COc1cc(NCc2cccc(C#N)c2F)ccc1Cl 227933884 FPCVHOYEDROQLK-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)c1ccccc1 229748748 HMJKYGRBIQTBBN-UHFFFAOYSA-N 254.308 3.724 30 20 CHED C[C@@H]1c2ccsc2CCN1c1nccc(C#N)c1Cl 235670000 ABWIEBPYEFQJKT-SECBINFHSA-N 289.791 3.792 30 20 CHED CC(C)CCCNCc1cccc(OCCCC#N)c1 236698056 WUGGUQBVYBSORX-UHFFFAOYSA-N 274.408 3.895 30 20 CHED C#CCCCCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 245624234 XSFJLSTWEAIHFG-MDZRGWNJSA-N 299.414 3.557 30 20 CHED CCc1ccccc1N=Cc1cccc(OC)c1O 254826126 WMEOFJFPPWEADX-UHFFFAOYSA-N 255.317 3.714 30 20 CHED O=C(/C=C\c1c[nH]nc1-c1ccccc1F)c1cccnc1 254944160 GXSQAYNAFLTYAO-FPLPWBNLSA-N 293.301 3.507 30 20 CHED CCc1ccc(C=NOCc2ccc(F)cc2C#N)cc1 255299001 STHCFOVHELVEFK-UHFFFAOYSA-N 282.318 3.810 30 20 CHED C=CCCC(=O)Nc1ccc(N2CCCCC2)cc1 263655586 ICEDLZRPBNDTHA-UHFFFAOYSA-N 258.365 3.582 30 20 CHED N#Cc1cnc(N2CC[C@H](c3ccccc3)C2)c(Cl)c1 263728866 CFGSLSWZPKNAJT-AWEZNQCLSA-N 283.762 3.601 30 20 CHED CCc1nc([C@@H](C)Nc2ccc(C#N)cc2F)cs1 264748828 LVCJHOMSVGUUNM-SECBINFHSA-N 275.352 3.889 30 20 CHED CCCN(Cc1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 265901300 UYBRMHGKYAAJIZ-KURKYZTESA-N 298.430 3.584 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 266567769 VMLBCGQNXOHHSD-LBPRGKRZSA-N 285.174 3.549 30 20 CHED CC(C)[C@H]1OCCC[C@H]1CNc1snc(Cl)c1C#N 267590519 CSLMCLBFRRZFSF-GXSJLCMTSA-N 299.827 3.531 30 20 CHED CN(C(=O)c1csc(C(C)(C)C)n1)c1ccc(C#N)cc1 269627765 DYFOZYPNWIKQRR-UHFFFAOYSA-N 299.399 3.589 30 20 CHED N#Cc1ccn(Cc2csc(C3CCCCC3)n2)c1 270129083 XHRYEQJVDFLOBX-UHFFFAOYSA-N 271.389 3.912 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2ccc(CC#N)cc2)C1 270333011 MDVALWXJCUZTLW-SFHVURJKSA-N 284.403 3.795 30 20 CHED CC(C)(C#N)CCN1CC=C(c2c[nH]c3ncccc23)CC1 272055545 VNORRBLOBPPOEM-UHFFFAOYSA-N 294.402 3.592 30 20 CHED COc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1C 272580692 POJYYUMLBSTNMG-AWEZNQCLSA-N 296.370 3.907 30 20 CHED CCc1cc(N[C@H](CCC#N)c2ccccc2)nc(C)n1 272938017 WKZAIIURTZGTEP-MRXNPFEDSA-N 280.375 3.804 30 20 CHED Cc1ccc2[nH]c([C@@H]3CCCN([C@@H](C)CCC#N)C3)nc2c1 276306128 LDEPZMVMTUBMGQ-LSDHHAIUSA-N 296.418 3.743 30 20 CHED CC[C@@H](NCc1cccc2c1OCO2)c1ccc(C#N)cc1 278218408 IPEHNTVKNSUQHX-MRXNPFEDSA-N 294.354 3.528 30 20 CHED CC(C)c1occc1C(=O)Nc1ccc(CC#N)cc1 279874578 AKMFVODMKXAKSX-UHFFFAOYSA-N 268.316 3.721 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1 281020983 MFZFEIZNRUMEFE-ZWKOTPCHSA-N 299.414 3.826 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1sccc1C 281103646 QIWJWQUIKUXPAE-AVGNSLFASA-N 263.406 3.631 30 20 CHED CC[C@@H](N[C@@H]1CCCC12CCOCC2)c1ccc(C#N)cc1 282697555 KSIOJKMTEWXTJB-QZTJIDSGSA-N 298.430 3.948 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)cc1 282698687 XOIOUJOVTYNIPW-GFCCVEGCSA-N 278.302 3.517 30 20 CHED C#CC[C@@H](NCc1cnc(C(C)(C)C)nc1)c1ccccc1 284205879 BXHMIWNXWRLJCQ-QGZVFWFLSA-N 293.414 3.628 30 20 CHED Cc1cccc2c(Cc3noc(CC(C)(C)C#N)n3)c[nH]c12 288925307 DLIDRFMGYLEWGO-UHFFFAOYSA-N 294.358 3.542 30 20 CHED CC(C)(O)c1ccc(CNc2ccc(CC#N)cc2)cc1 290120223 OYTRLQSBJIEERN-UHFFFAOYSA-N 280.371 3.592 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)n(C2CCCCC2)n1 290992710 XMOABJWPBLZCJG-INIZCTEOSA-N 288.395 3.575 30 20 CHED CC[C@@H](OC(=O)CCCC#N)c1ccc(F)cc1F 291339976 VCKGGMYSUJNDCC-CYBMUJFWSA-N 267.275 3.653 30 20 CHED Cc1ccc2ncc(C#N)c(OCCCCF)c2c1 291670182 PZTCOUUYNGKMGY-UHFFFAOYSA-N 258.296 3.543 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCC#N 291839370 FLRNDHKSDRSNCH-KRWDZBQOSA-N 286.419 3.859 30 20 CHED Cc1c(C#N)c(S[C@H]2CC[C@H](C#N)C2)nc2c1CCC2 294995259 NPGLJKKYZALZQI-RYUDHWBXSA-N 283.400 3.535 30 20 CHED C=CCCc1noc([C@H]2CCCN(Cc3ccccc3)C2)n1 297416604 UKNDAZUZWDHEAP-INIZCTEOSA-N 297.402 3.568 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 301098878 XGHUZZXDOWMSOC-NSHDSACASA-N 262.316 3.608 30 20 CHED Cc1ccc([C@H](O)CNc2ccc(Cl)cc2C#N)cc1 301164619 CJXMBKDRUXIYQN-MRXNPFEDSA-N 286.762 3.666 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)n2)C1 301299148 UALCEGBTSHUDLK-VHSXEESVSA-N 281.812 3.693 30 20 CHED C[C@H](CNc1c(F)cc(C#N)cc1F)Oc1ccccc1 301302552 WCQZLYFQWMVANX-LLVKDONJSA-N 288.297 3.716 30 20 CHED CCO[C@H](CCNc1ccc(C#N)cc1F)C(C)C 301461479 ZCDLPIXIEYVZDO-OAHLLOKOSA-N 264.344 3.560 30 20 CHED CCO[C@H]1C[C@H](N(C)c2ccc(C#N)cn2)C12CCCCC2 301492971 PWVZJBXBEYGKDP-HOTGVXAUSA-N 299.418 3.517 30 20 CHED N#Cc1cccc(N2CCC[C@H]2C2CCCCC2)n1 301523848 IAHFQBMAQPWVTQ-HNNXBMFYSA-N 255.365 3.502 30 20 CHED C[C@@H](C#N)CNc1cc(C(C)(C)C)nc(C(C)(C)C)n1 301776433 RALWZXJLSKMMJI-NSHDSACASA-N 274.412 3.643 30 20 CHED N#Cc1cc(F)ccc1N1CCS[C@@H](c2ccccc2)C1 301779337 HZXQIDVFTIPOET-QGZVFWFLSA-N 298.386 3.992 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1Nc1cccc(C#N)n1 301857825 RYJUICJUIGUHGF-APPDUMDISA-N 281.334 3.828 30 20 CHED CC(C)(C)c1cnc(Sc2cccc(C#N)n2)s1 301872056 WZRBTRCIASEYPV-UHFFFAOYSA-N 275.402 3.858 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2cccc(C)c2)c1 302086966 FKLCHIBNNIPXLW-UHFFFAOYSA-N 264.328 3.681 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1CCOc1ccccc1C#N 303694684 MZJLBACBARTDDA-BFYDXBDKSA-N 284.403 3.590 30 20 CHED CCO[C@H]1C[C@@H](NCc2cccc(C#N)c2)C12CCCCC2 303912424 RWMXEYICGCJIDN-MSOLQXFVSA-N 298.430 3.776 30 20 CHED CC(C)(C#N)CCCCN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 311991133 FMDIVDAZZUBCHK-CAOSSQGBSA-N 260.425 3.684 30 20 CHED N#CCc1ccc(NCc2ccc(N3CCCC3)cc2)cc1 315562583 YOLNBCBXQLUIFK-UHFFFAOYSA-N 291.398 3.965 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1)Nc1nccs1 328745553 KZELKVNGZFBOJT-SDDRHHMPSA-N 279.409 3.828 30 20 CHED O/C(=N/C1CCSCC1)c1coc(C2CCCC2)n1 328805006 MZVYIRUXMUKVDZ-UHFFFAOYSA-N 280.393 3.532 30 20 CHED CCCOC1(C/N=C(/O)c2[nH]ccc2C)CCCCC1 331237262 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C=C(CNc1ncc(C#N)cc1Cl)c1ccccc1 340959993 LAUGHIIGLVVVPH-UHFFFAOYSA-N 269.735 3.732 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(SC)c1C 341817704 IGHLHZKADAASKZ-JTQLQIEISA-N 264.394 3.803 30 20 CHED C[C@H]1CCC[C@@H](C)N1Cc1cn2ccccc2c1C#N 342341407 UPLLRZXLGSGZEM-OKILXGFUSA-N 267.376 3.574 30 20 CHED N#CC1(CN[C@H](CC(F)(F)F)c2ccccc2)CC1 343585269 WVSZFKIRUJRNSV-GFCCVEGCSA-N 268.282 3.573 30 20 CHED CN(Cc1ccc(F)cc1F)Cc1ccc(F)cc1C#N 343730160 XDEDMSQBGNXNGQ-UHFFFAOYSA-N 290.288 3.608 30 20 CHED Cc1cccnc1SCc1cc(F)ccc1C#N 344582579 RTRNJLAXVFGQJR-UHFFFAOYSA-N 258.321 3.693 30 20 CHED COc1ccc2c(c1NCCC(C)(C)C#N)CCC2 345409365 PKHUVRPWCBRFIT-UHFFFAOYSA-N 258.365 3.536 30 20 CHED CCOc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1OC 345936374 QKCUYMMKYYXEOI-CYBMUJFWSA-N 290.407 3.684 30 20 CHED CC[C@H](NCc1ccc(CC#N)cc1)c1c(C)noc1C 348282585 SKRKDTIRTRMZKG-INIZCTEOSA-N 283.375 3.598 30 20 CHED CCSc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 349224279 NKZLKSHLZGOJNV-UHFFFAOYSA-N 282.368 3.923 30 20 CHED C=C(C)CCc1noc(-c2cnc(C3CC3)s2)n1 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410137198 YXAKINGOOUFBII-ZDUSSCGKSA-N 290.794 3.835 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)c1cc(C#N)ccc1Cl 411088475 PUVUKRHPKVXYGA-SNVBAGLBSA-N 276.767 3.615 30 20 CHED C[C@H](CCC#N)N1CC[C@](F)(c2cccc(Cl)c2)C1 411693851 MSLGASBAVHYNCD-IUODEOHRSA-N 280.774 3.903 30 20 CHED N#CCc1ccc(C[S@@](=O)CCCc2ccccc2)cc1 414298998 UBICVJDZIQBORD-NRFANRHFSA-N 297.423 3.634 30 20 CHED C=CCN(C(=O)[C@@H](CC)Cc1ccccc1C)C1CC1 424751028 HSYXNJYTELJWFI-HNNXBMFYSA-N 271.404 3.741 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1nccn1-c1ccccc1 424855879 UFXHJZHYNMFMRR-AWEZNQCLSA-N 297.402 3.652 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425449847 TZHIOSFKAWMOTR-ZJIFWQFVSA-N 291.439 3.583 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C)C[C@H]1C 425662187 ZBRHENMRNYLXOC-VXGBXAGGSA-N 271.364 3.519 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2[nH]c(C)c(C)c2c1 428042666 DDUJGYNFOSMDAS-HNNXBMFYSA-N 282.387 3.965 30 20 CHED C=CCc1cc(CN2CC[C@@H]3CCC[C@H]32)cc(OC)c1O 428455536 SPQQYWHLXSLDAB-GOEBONIOSA-N 287.403 3.504 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 431853297 GLCJDORRORKEOS-FUHWJXTLSA-N 289.419 3.526 30 20 CHED N#Cc1cccc(CN[C@H](c2ccccc2)C(F)F)c1F 433070667 HAXZQCMSSQHWFX-OAHLLOKOSA-N 290.288 3.793 30 20 CHED COc1cc(NCC#Cc2ccc(Cl)cc2)ccc1F 435900200 CMJPZVDXMVRBKZ-UHFFFAOYSA-N 289.737 3.951 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1c2cc(F)ccc2C[C@H]1C 436302498 AQYUVSHYKBYAKS-NMVRNDPTSA-N 289.394 3.630 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(c3ccccc3)CCCC2)C1 442714297 JUFYDNGFDRKVPF-DOTOQJQBSA-N 268.404 3.780 30 20 CHED N#C[C@@H]1CC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C1 442790773 HPZMDVGEJLPYGF-IUODEOHRSA-N 274.795 3.653 30 20 CHED N#Cc1ccc(-c2nc(-c3c[nH]c4ccccc34)no2)s1 445441181 DQFPJEBSINUIEX-UHFFFAOYSA-N 292.323 3.818 30 20 CHED Cc1cc(COc2ccc(C#N)cc2Cl)ccc1C#N 447304178 UYJLWBLMAUBDIS-UHFFFAOYSA-N 282.730 3.971 30 20 CHED CC(C)[C@H]1CN(CCCSCC#N)c2ccccc21 447382356 IISMXIRUTFMVJF-OAHLLOKOSA-N 274.433 3.893 30 20 CHED C=CCC1(C(=O)NC2CCN(CCC)CC2)CCCCC1 448593588 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452296312 BCCWPTHJQYYJRR-UHFFFAOYSA-N 283.415 3.645 30 20 CHED C=CC(C)(C)CNC(=O)C(C)(C)c1ccccc1C 452775591 OOXNMFRZECZKMA-UHFFFAOYSA-N 259.393 3.601 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 453329803 YBXOWEUDOCIONC-GFCCVEGCSA-N 278.352 3.610 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1sc(C(C)(C)C)nc1C 453376714 YCLJVOGDZFZPOV-UHTWSYAYSA-N 294.464 3.743 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2scnc2C(C)C)n1 453580310 BWVPFYCFICTMBC-SECBINFHSA-N 291.401 3.522 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 455324333 MBJMTZHWIOHBPF-KURKYZTESA-N 298.430 3.930 30 20 CHED C[C@H](c1ccc(C(=O)NCCCCC#N)cc1)C(F)(F)F 455439090 YWZDVRBUOQMRRO-LLVKDONJSA-N 298.308 3.776 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)Nc1cccc(CC#N)c1 455911550 FKTYQMWIDXJLBF-WWGRRREGSA-N 285.391 3.699 30 20 CHED C=CCC1(C(=O)N[C@H](C)CCCc2cccnc2)CCC1 457944193 RAZPLXOCJNTESK-OAHLLOKOSA-N 286.419 3.655 30 20 CHED Cc1ccc(SCCC(=O)NCC(C)(C)CC#N)cc1 458027388 NSGBPDYSWZEGFW-UHFFFAOYSA-N 290.432 3.533 30 20 CHED CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H]1CC1(C)C 458846166 QRAKUVCIVVEWTN-JKSUJKDBSA-N 299.418 3.861 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(CCC)CCC 460578569 SNHVQXNVRWUKOE-UHFFFAOYSA-N 276.428 3.748 30 20 CHED C=CCN(CC=C)C(=O)c1cc(Cl)ccc1OCCC 463259532 PNQFQWNDZKWCOZ-UHFFFAOYSA-N 293.794 3.943 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 464751356 OCMWNOYAICQWGX-VXGBXAGGSA-N 272.348 3.710 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OCCC 465152853 RAOYNYGHAGHXAZ-JTQLQIEISA-N 282.771 3.825 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 466187621 HLOIYPGSVQPGPI-MRXNPFEDSA-N 286.419 3.618 30 20 CHED Cc1cccc(OCCN(C)Cc2cc(F)ccc2C#N)c1 469254068 PCNSIMHETAKKTF-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C=CCN(C)C(=O)CCC[C@H](C)c1cccc(OC)c1 469256355 KHBAVFHOLXUZHB-AWEZNQCLSA-N 275.392 3.613 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CC1 470635691 JZWHZNHEYZUOFH-DLBZAZTESA-N 269.388 3.637 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 474579487 RBPFEDAOFXOVQY-AJNGGQMLSA-N 261.409 3.674 30 20 CHED C=C(CC)CS[C@H]1CCc2ccccc2NC1=O 479545799 QWVXCSBLCIXRTF-AWEZNQCLSA-N 261.390 3.639 30 20 CHED C[C@H](CCCC(F)(F)F)NCc1ccc(C#N)cc1F 480203171 UCZBRVOIWZWRKS-SNVBAGLBSA-N 288.288 3.908 30 20 CHED Cc1cc(C)c2cc(CN[C@@H]3CCC[C@@H]3C#N)[nH]c2c1 482514042 SFKJHTKEGBZNLG-CZUORRHYSA-N 267.376 3.567 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCC[C@H](SCC)C2)CC1 484252444 HNRFDLKJPQWJRR-CABCVRRESA-N 296.480 3.658 30 20 CHED CCCCC1CCC(NC(=O)NCC(C)(C)C#N)CC1 485285653 KNXCOVIIJCMCKN-UHFFFAOYSA-N 279.428 3.584 30 20 CHED Cc1cc(CN2CCC(OC(C)(C)C)CC2)ccc1C#N 488228825 IPWZJCHLNACHRU-UHFFFAOYSA-N 286.419 3.646 30 20 CHED C[C@H](NC(=O)/C=C\c1ccsc1)c1ccc(C#N)cc1 490666907 NZWXOXMKHMVWQK-KMSCOEIWSA-N 282.368 3.510 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc(Cl)s1 494717902 LYCNDXVOYUJNPC-SNVBAGLBSA-N 284.812 3.652 30 20 CHED COc1cc(C#N)ccc1COc1ccc(SC)cc1 500843827 WUOFKFPIJQCICZ-UHFFFAOYSA-N 285.368 3.868 30 20 CHED CCCOc1ccccc1OCc1ccc(C#N)cc1OC 500864263 FOOMONUQZQSBKG-UHFFFAOYSA-N 297.354 3.935 30 20 CHED C=CCC(C)(C)C(=O)NCCCc1cccc(Cl)c1 506601628 LOFBLIXMBUZHRT-UHFFFAOYSA-N 279.811 3.991 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1ccncc1F 512239872 QBQWRNLNZKGKPR-ZDUSSCGKSA-N 293.386 3.670 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)NCC(C)(C)C#N)c(C)c1 512895605 KSJAVVKPNMZYCJ-AWEZNQCLSA-N 287.407 3.556 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@@H](F)C1 515349437 KCILWDQYWRZKCL-OLZOCXBDSA-N 296.411 3.726 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 528802655 BZHPZMDTLSXKTN-GDBMZVCRSA-N 284.403 3.721 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H](C)c2ccco2)c1 529470289 DFGNKXYEVAJZMP-LBPRGKRZSA-N 268.316 3.592 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC1C[C@@H](C)C[C@H](C)C1 531081461 NKURMZGMFMVMJM-RYUDHWBXSA-N 285.391 3.813 30 20 CHED C=C(C)[C@@H](CC(=O)N(CCCC)[C@@H](C)CC)OCC 533710266 MDCWRKMVELFTQV-LSDHHAIUSA-N 269.429 3.785 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CC2CCCCCC2)C1 535321186 KJKPGSMOXUPCKS-WMLDXEAASA-N 276.424 3.936 30 20 CHED C=C1CCN(CCCSCc2ccccc2)CC1 536378765 MKVBLVQZMVHNOI-UHFFFAOYSA-N 261.434 3.962 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(OCC(C)C)cc1 537097187 DCJKDASAWCBWTB-HOTGVXAUSA-N 291.435 3.557 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(OCC)c1 538333468 DXWDCHWMQJVRIF-CYBMUJFWSA-N 261.365 3.560 30 20 CHED N#CC1(CN(c2ccccc2F)C2CCCC2)CC1 538353545 KWXCBYMXGYDJSN-UHFFFAOYSA-N 258.340 3.878 30 20 CHED C=CCC[C@@H](Nc1cccc(OCCOC)c1)C1CC1 538527659 UXRVOGKEZKWMHW-QGZVFWFLSA-N 275.392 3.869 30 20 CHED CCC[C@@H](C#N)NC(=O)CCc1ccc(CC(C)C)cc1 538827294 UCPFXUGUSBMIHJ-KRWDZBQOSA-N 286.419 3.626 30 20 CHED CC[C@H]1CC[C@@H](C)N1c1ccc2cc(C#N)ccc2n1 540078295 RLJZYNSGVBBCJM-DOMZBBRYSA-N 265.360 3.874 30 20 CHED Cc1c(Cl)c[nH]c(=NCc2ccccc2Cl)c1C#N 543138482 KWRQNNHBEFSXAU-UHFFFAOYSA-N 292.169 3.603 30 20 CHED C=CCN(CCc1ccco1)C(=O)Cc1ccc(C)c(C)c1 543703408 XFKDBNVHLLUGIF-UHFFFAOYSA-N 297.398 3.696 30 20 CHED CCCN(CCc1cccs1)CCC(C)(C)C#N 545924437 FCEBUYGJARQOBZ-UHFFFAOYSA-N 264.438 3.942 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@H](C)c2cccs2)no1 551015983 IBQBJDKYXDOHBN-SNVBAGLBSA-N 296.355 3.525 30 20 CHED CC(C)CC[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1 552051009 BREYKJJQSGTAQT-INIZCTEOSA-N 299.462 3.941 30 20 CHED N#CCc1ccnc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 552329070 FNKLRCSHUHCTKW-BZUAXINKSA-N 297.402 3.693 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1noc(Cc2ccccc2)n1 554867991 YEWJJAWCEPODEX-SOUVJXGZSA-N 299.418 3.912 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](CC)C1 555249756 ZTJHGRMNKFKHLA-CQSZACIVSA-N 290.455 3.679 30 20 CHED Cc1ccc(OCCCCNc2cc(C)nc(C#N)c2)cc1 557511598 QFZGCWUVWWVHPY-UHFFFAOYSA-N 295.386 3.841 30 20 CHED C[C@H](CN(C)c1nccc(C#N)c1Cl)c1ccccc1 557571804 GPVOELGHCAMKGX-GFCCVEGCSA-N 285.778 3.847 30 20 CHED C=CCOc1ccc(CNCC(C)(C)CC=C)cc1OC 559307468 AVOAZPOROGLKQX-UHFFFAOYSA-N 289.419 3.952 30 20 CHED C[C@@H]1CC[C@@H](CNC2CCN(c3ccc(C#N)cc3)CC2)C1 560545791 WPYQFDUPXFNSRA-NVXWUHKLSA-N 297.446 3.553 30 20 CHED C[C@]1(c2ccccc2)CCN(c2nccc(C#N)c2Cl)C1 561235793 OFQQDUZEORKHQF-KRWDZBQOSA-N 297.789 3.775 30 20 CHED COC1(CSc2cccc(F)c2C#N)CCCC1 569261023 YHUNQEFJUUXXDP-UHFFFAOYSA-N 265.353 3.749 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1COC(C)C 575239427 ZQZLVTYRUIDHDG-UHFFFAOYSA-N 289.419 3.830 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1c(F)cccc1Cl 577059823 HGIFUCYLPHSFNG-UHFFFAOYSA-N 283.734 3.540 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@@H](F)C2)CCCCC1 578772206 PZXLXJJCXYHHIE-KGLIPLIRSA-N 267.388 3.910 30 20 CHED C[C@H](CCC#N)CN1CCC(Cc2ccccc2)CC1 590592892 BLEHOGOUWNVCAR-MRXNPFEDSA-N 270.420 3.881 30 20 CHED CCC(CC)(CC)C(=O)Nc1cccc(CC#N)c1 590884531 LLLVWEJCGJOXDE-UHFFFAOYSA-N 258.365 3.908 30 20 CHED Cc1cncc(CCS[C@H](C)c2ccc(C#N)cc2)n1 593188260 AJDVGZFIVAWEQZ-CYBMUJFWSA-N 283.400 3.694 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCC1(CSC)CC1 595584871 KHMDQPGLEMAJTK-ZDUSSCGKSA-N 284.469 3.564 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H](CC#N)C1 595590248 JEWXMYYMGXIRNC-ZBFHGGJFSA-N 291.439 3.681 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@H](C3CCCCC3)C2)cc1 596466850 IZMSZUSKNQDNGX-INIZCTEOSA-N 297.402 3.992 30 20 CHED Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](CC#N)C1 596629251 NOFIGOFJNULBJZ-LBPRGKRZSA-N 291.782 3.806 30 20 CHED N#CC[C@H]1CCCN(Cc2cscc2C(F)(F)F)C1 597176787 JQYAXBUYNQNYTB-SNVBAGLBSA-N 288.338 3.893 30 20 CHED CC(C)(CC#N)CNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 597761593 SEEDYJBIGQAWOU-DLBZAZTESA-N 298.430 3.701 30 20 CHED C=CCCSCCNC(=O)[C@H](C)c1cccc(C)c1 597968668 YPHIERSJBGUQDR-CQSZACIVSA-N 277.433 3.524 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1F 601027231 XCEYYPYVKSHBGI-GFCCVEGCSA-N 289.137 3.555 30 20 CHED CCN(CC)[C@H](CNC[C@H](C)CCC#N)c1ccccc1 602501041 CPFHQCLDMFLOES-SJLPKXTDSA-N 287.451 3.599 30 20 CHED Cn1c(S[C@@H](C#N)Cc2ccccc2)nc2ccccc21 603994691 GIXULDQKJHNLKG-CQSZACIVSA-N 293.395 3.800 30 20 CHED COc1ccc(Cl)cc1N[C@H](C#N)Cc1ccccc1 604553169 WMRCOEFQEZXACH-AWEZNQCLSA-N 286.762 3.895 30 20 CHED CN(C(=O)c1cc2occc2s1)c1cccc(C#N)c1 609855911 MNAXWNHFQKVTIR-UHFFFAOYSA-N 282.324 3.643 30 20 CHED C=CCCSCC(=O)Nc1ccc(C)c(Cl)c1 610088829 CCVRCSHWYXJPAB-UHFFFAOYSA-N 269.797 3.896 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN(CCC(C)(C)C#N)CC3 611462671 MDXCQVRNZCMJBX-UHFFFAOYSA-N 281.403 3.774 30 20 CHED CCCCCOc1ccc(C(=O)NCC(C)(C)C#N)cc1 611688983 WQZJRLAJSXZLIW-UHFFFAOYSA-N 288.391 3.535 30 20 CHED CC(C)(C#N)CNC(=O)CCCCCc1cccs1 611689361 CPASBFQMBVFVPC-UHFFFAOYSA-N 278.421 3.517 30 20 CHED N#Cc1c(F)cccc1N[C@H]1COc2cc(F)cc(F)c21 612113698 AZNDIJVIHAPGFO-ZDUSSCGKSA-N 290.244 3.521 30 20 CHED CO[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1Cl 613255464 GGVVFUFZXNVKED-DVOMOZLQSA-N 292.810 3.699 30 20 CHED C[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@@H](C)S1 613425597 CQTWSEQGUHTLGP-TXEJJXNPSA-N 289.448 3.581 30 20 CHED C[C@H]1CC(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C[C@H](C)C1 618730281 CJUOLYUGOIDIBL-SNUQEOBHSA-N 296.414 3.734 30 20 CHED CCCC[C@@H](SCc1ccc(C#N)cc1C)C(=O)OC 619460578 BWZZEMHJRWTYLP-OAHLLOKOSA-N 291.416 3.832 30 20 CHED CN1CCC(=O)C[C@H]1c1ccc(-c2cccc(C#N)c2)cc1 629711344 FABIGNQBVLTIIR-IBGZPJMESA-N 290.366 3.561 30 20 CHED C=CCC1(C(=O)N2CC[C@@H]3[C@H]2[C@H]3C(F)(F)F)CCCC1 649043107 JOZKHXIMDNNGIU-SRVKXCTJSA-N 287.325 3.532 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)c(C)c1 654248410 CYICUYVAMMARMC-NSHDSACASA-N 267.756 3.568 30 20 CHED C=CCC1(NCc2ccc3c(c2)ncn3C)CCCC1 657701651 AMAVDFHPOASCCF-UHFFFAOYSA-N 269.392 3.552 30 20 CHED C=CC[C@H]1CCCN(c2cc(C(C)=O)ccc2C#N)C1 664253430 MRXMDBOTNPONRZ-AWEZNQCLSA-N 268.360 3.553 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@]12CCC[C@H]1C2 667028788 FQZDFZYQEWWNAJ-WMLDXEAASA-N 270.376 3.869 30 20 CHED C=CCN(C(=O)Nc1nc(C(C)C)c(C)s1)C1CC1 667368120 GSTIGHWFRAQODP-UHFFFAOYSA-N 279.409 3.757 30 20 CHED C=CCN(C(=O)c1cc2ccc(F)cc2s1)C1CC1 678496277 RNYGGDMFPVJOFP-UHFFFAOYSA-N 275.348 3.831 30 20 CHED C=CCCOC(=O)/C=C(/C)c1ccccc1Cl 727630936 QYBRAZPSCWVRQO-KHPPLWFESA-N 250.725 3.863 30 20 CHED CC(C)C[C@H](C)CC(=O)OCCOc1cccc(C#N)c1 727880242 FBAKHUKEOJNHLO-AWEZNQCLSA-N 289.375 3.553 30 20 CHED C#CCCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727955015 ISBZVVBUSABVFQ-GHMZBOCLSA-N 283.154 3.663 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 728480954 XEWWMFQQYUXUNP-YESZJQIVSA-N 281.399 3.847 30 20 CHED C#Cc1ccc(C(=O)O[C@@H](C)c2ccc(Cl)cc2)nc1 729011244 FZVONXKBXLWRNU-NSHDSACASA-N 285.730 3.634 30 20 CHED C#CCOc1cccc(OC(=O)CCC2CCCC2)c1 730502195 ZZVVIPNOGNBOAN-UHFFFAOYSA-N 272.344 3.574 30 20 CHED CCCCCCCCCNC(=O)/C=C/C1CCOCC1 732657318 NDVMJUSMDFSJDQ-MDZDMXLPSA-N 281.440 3.836 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cnnc2ccccc12 733747514 NYQMTGWPDYBWDX-UHFFFAOYSA-N 288.354 3.701 30 20 CHED C(=NNc1cnnc2ccccc12)c1c[nH]c2ccccc12 733750023 JPGCSLDJVRNTKO-UHFFFAOYSA-N 287.326 3.557 30 20 CHED COc1cccc(O)c1/C=N\CC(C)(C)c1cccs1 733902882 CILRFVHRMRCDJQ-YVLHZVERSA-N 289.400 3.859 30 20 CHED CC[C@H](/N=C/c1cccc(O)c1O)c1ccc(F)cc1F 737440359 FYEPZILWNXAUTJ-FRSZACSASA-N 291.297 3.946 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)CCC(C)(C)C 737478378 KNIOHVGOQHQAMY-UHFFFAOYSA-N 295.766 3.952 30 20 CHED CC(C)(C)CCC(=O)OCc1ccc(F)cc1C#N 738795353 LHTKKOSHJQROTE-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C[C@@H](NN=Cc1nccc2ccccc12)c1ccccc1 740762019 VWAFVEXYHKMADN-CQSZACIVSA-N 275.355 3.920 30 20 CHED CCCCCCCCCC(=O)N(C)[C@H]1CCCN(C)C1 741626561 ZOCXAQUZTFKTCW-INIZCTEOSA-N 282.472 3.680 30 20 CHED O=C1/C(=C/c2ccccc2F)CCc2c(O)cccc21 742434957 OMUIGLCHUJNCRJ-ZRDIBKRKSA-N 268.287 3.744 30 20 CHED C#Cc1ccc(C(=O)N2CCCC3(CCCCCC3)C2)cn1 742852363 QOQMIWHPMKYGBW-UHFFFAOYSA-N 296.414 3.640 30 20 CHED COc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c(C)c1 744099384 AOERCICENHXGKR-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED C=C(C)CCOC(=O)c1cc2c(s1)CCCC2 744305099 MZBQGBBKAFHPDH-UHFFFAOYSA-N 250.363 3.750 30 20 CHED COc1ccc(C(C)(C)C/N=C/c2cccc(O)c2O)cc1 745626422 OZPRMGWLRUZNLJ-YBFXNURJSA-N 299.370 3.503 30 20 CHED CCCCCCCC(=O)N1CCCN(C(C)(C)C)CC1 746014964 UQDCSSOIDGXOFS-UHFFFAOYSA-N 282.472 3.680 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1cccnc1 746579353 UMCXMGLJCYSTNU-UHFFFAOYSA-N 279.265 3.937 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C(C)C 747373663 MQOSCNGLFSABEF-GJZGRUSLSA-N 277.795 3.867 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc(C#N)s1 750938359 FYNQYHGXQRMZKO-UHFFFAOYSA-N 259.309 3.513 30 20 CHED C/C=C(\C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 751363196 GPIBYJPJZZDTTB-LHHJGKSTSA-N 270.376 3.509 30 20 CHED C#C[C@@H](CC)NC(=O)N(C)Cc1ccc(Cl)cc1Cl 753242663 GQKSLDCHEFXEHY-LBPRGKRZSA-N 299.201 3.547 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@]1(C)CCOC1 754169009 MTFOQJIJRDOSEJ-GDBMZVCRSA-N 269.429 3.526 30 20 CHED CCCCCCCCNC(=O)c1c(CC)noc1C 754852736 CFFJEQMIUCRXTA-UHFFFAOYSA-N 266.385 3.636 30 20 CHED Clc1nc(Cl)c(C=NNc2ccccc2)s1 755461975 LRUXMLHQFHBQOT-UHFFFAOYSA-N 272.160 3.896 30 20 CHED N#Cc1ccc(NN=C[C@@H]2CCc3ccccc32)cc1 755652385 YLRDBFLLBNEMFT-HNNXBMFYSA-N 261.328 3.686 30 20 CHED Oc1cccc(Cl)c1C=NNc1ccc(Cl)nc1 755753616 LRBDQUCABVEJBU-UHFFFAOYSA-N 282.130 3.540 30 20 CHED Cc1ccc2cc([C@H](C)NCc3ccc(C#N)cn3)oc2c1 756053093 HTQWIWSKHTXNGY-ZDUSSCGKSA-N 291.354 3.859 30 20 CHED C=CC[C@H](N[C@H](C)c1ccc(F)cc1O)c1ccncc1 756584361 SJIBOTMTJDRGHV-WBMJQRKESA-N 286.350 3.894 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@H]2CC)c1 756808727 MOMRCALBULZTAM-UKRRQHHQSA-N 272.417 3.533 30 20 CHED O=C(/C=C\c1ccccc1)c1cc(F)cc(F)c1O 757472496 JKALGVBODBEEPK-SREVYHEPSA-N 260.239 3.567 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(Cl)nc1 759083806 QZQDEPHLEYYPPT-ONEGZZNKSA-N 279.748 3.701 30 20 CHED CCO[C@@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)C(C)C 760591078 ZUTQBFYTCXQZBR-CJNGLKHVSA-N 289.375 3.614 30 20 CHED C=CCCC(=O)COC(=O)/C(C)=C/c1ccccc1Cl 761432310 YIENUGWSXLJOGI-ZRDIBKRKSA-N 292.762 3.822 30 20 CHED C=CCOC(=O)c1cc2ccccc2cc1OC(F)F 761510792 OKNWBENBRHDJNA-UHFFFAOYSA-N 278.254 3.784 30 20 CHED C=C(C)CNC(=S)Nc1cnccc1-c1ccccc1 761521957 FLJMSFBYEKSCOL-UHFFFAOYSA-N 283.400 3.611 30 20 CHED CCCCCCC[S@](=O)c1ccc(OC)cc1 764546614 FNVACIWGCYJGLU-KRWDZBQOSA-N 254.395 3.773 30 20 CHED CCCCCCCCCC(=O)N1CC(C(F)F)C1 764720194 VVQDTGACBUCWAW-UHFFFAOYSA-N 261.356 3.851 30 20 CHED Cc1ccc(C=NNc2ccnc(F)c2)cc1Cl 766455187 QEFXVIRHVDFUPD-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)cc1 766584868 RSRYHOIQPFWZPI-BSDKJSHOSA-N 290.794 3.798 30 20 CHED C[C@H](/N=C\c1ccccc1O)c1cccc(F)c1F 766672642 QVHPHJPLTQZJNP-OAOMGELKSA-N 261.271 3.851 30 20 CHED C#CCCCOc1cccc(-c2noc(CCCC)n2)c1 766742075 SGFKHYIYIVQYQD-UHFFFAOYSA-N 284.359 3.871 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1c(-c2ccccc2)oc(C)c1C 767253638 TYVWCSSKUOQWEB-GFCCVEGCSA-N 281.355 3.657 30 20 CHED CCc1ccc(C=NOCc2cc(OC)cc(C)n2)cc1 769559897 ZMLJZEHKNWUUNG-UHFFFAOYSA-N 284.359 3.512 30 20 CHED CCn1nc(/C=C\C(=O)c2cccc(O)c2)c2ccccc21 769743727 ZWNGCHJQLGOAGA-KHPPLWFESA-N 292.338 3.658 30 20 CHED CCCCCCCCOC(=O)c1coc(CC)n1 772378234 XBOAYYARKWFOQW-UHFFFAOYSA-N 253.342 3.754 30 20 CHED C=CCN(C(=O)N[C@H](C)CCCCCC)C1CC1 772405178 LJZFOAWMSIRMCB-CYBMUJFWSA-N 252.402 3.705 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccccc2F)c(F)c1 772800872 CQYJEZSDGHJUJF-FPLPWBNLSA-N 269.250 3.733 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2C[C@H]3CC[C@H]2C3)c1 772983495 IYVJRNQVXVIMMY-KMANFZQXSA-N 284.403 3.646 30 20 CHED COc1cccc(NN=C2CCCNc3ccccc32)c1 774364293 OTFNZWDXRJUMGH-UHFFFAOYSA-N 281.359 3.717 30 20 CHED C#CCN(CC)C(=O)c1sc(C2CCCCC2)nc1C 775157333 RQCGNNOTINAJEH-UHFFFAOYSA-N 290.432 3.595 30 20 CHED C#CCCOC(=O)c1sc(C2CCCCC2)nc1C 775237878 CTPRVALHWRVHSS-UHFFFAOYSA-N 277.389 3.679 30 20 CHED CO[C@@H]1[C@H](C)[C@@H](/N=C\c2cc(Cl)ccc2O)C1(C)C 775629425 HOTUNEGUBUWLHI-SEVJEAAQSA-N 281.783 3.524 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(OC)nc1Cl 776017514 YXOAUQUDCVBJRL-JTQLQIEISA-N 297.786 3.610 30 20 CHED Fc1cc(Cl)cc(C=Nn2cnc3ccccc32)c1 776724568 NMGFHVBOGNBLBG-UHFFFAOYSA-N 273.698 3.711 30 20 CHED Cc1cc2ccccc2nc1NN=Cc1c(C)noc1C 776782399 KHHXSZQSPKFLQN-UHFFFAOYSA-N 280.331 3.594 30 20 CHED CC(=NOCCC(F)(F)F)c1ccc(F)c(F)c1 777459068 FTUPDBULBBYGMU-UHFFFAOYSA-N 267.197 3.658 30 20 CHED C[C@@H](OC(=O)C[C@@H]1C=CCCC1)c1cccc(C#N)c1 778630417 ATKRNBRZIBNYJC-ZIAGYGMSSA-N 269.344 3.909 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccccc1O 778996918 WGOOXSGDODCYKE-UHFFFAOYSA-N 294.398 3.922 30 20 CHED Cc1ccc(C(F)(F)C(=O)Nc2sccc2C#N)cc1 779720649 XPEJCPWKMWVFOY-UHFFFAOYSA-N 292.310 3.659 30 20 CHED C#CCCCCCc1nc(-c2ccc(F)cc2)no1 779739833 HIXIRFXVRNSCDJ-UHFFFAOYSA-N 258.296 3.612 30 20 CHED C(=NO[C@@H]1CCCCO1)c1ccc(Oc2ccccc2)o1 779785917 WVGKYURHUTZHLA-OAHLLOKOSA-N 287.315 3.949 30 20 CHED Cc1cccc(OCc2ccc(OCC#N)cc2)c1F 779819406 PIDAHPOGMXKUPN-UHFFFAOYSA-N 271.291 3.616 30 20 CHED COC(=O)c1cccc(NN=Cc2cc(C)sc2C)c1 779825855 AOTZGYQHDIMUET-UHFFFAOYSA-N 288.372 3.598 30 20 CHED C#CCCCCCC(=O)Nc1cccc2c1CN(CCC)C2 779905909 RFBKNPAYGBOKNO-UHFFFAOYSA-N 298.430 3.934 30 20 CHED C#CCCCCCC(=O)N1CCOc2c(Cl)cccc21 779987246 SVWCMBMCUXLNDM-UHFFFAOYSA-N 291.778 3.649 30 20 CHED CCc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)s1 780187480 VEZAYRDDVLNFCC-LUAWRHEFSA-N 270.353 3.839 30 20 CHED N#CC1(COC(=O)Cc2cc3ccccc3o2)CCCC1 780534671 OFVWBQAMXZACDG-UHFFFAOYSA-N 283.327 3.602 30 20 CHED Cc1cccc2c1CCN([C@@H](C)c1cccc(C#N)c1)C2 782183210 IVOBDWXJBHADRR-HNNXBMFYSA-N 276.383 3.986 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cccc2cccnc12 782298481 ABSCXXCYDSTYMG-OAHLLOKOSA-N 267.376 3.737 30 20 CHED C[C@@H]1C(=O)CC[C@@H](C(=O)OCCCC(C)(C)C#N)C1(C)C 784844712 KEPOSQIKWIJJFG-OLZOCXBDSA-N 293.407 3.501 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 785768994 NPJRFVLAKKGCBH-CQSZACIVSA-N 297.738 3.894 30 20 CHED C=CCCCC(=O)OCc1cc(Cl)ccc1F 787725462 AQTYKWXCSFEDKY-UHFFFAOYSA-N 256.704 3.879 30 20 CHED C#CCC1(C(=O)NCc2cc(C)ccc2OC)CCCCC1 788157543 OUZUUJHJZOCMIO-UHFFFAOYSA-N 299.414 3.594 30 20 CHED Fc1ccccc1CCNN=C1CCC12CCCC2 788718432 RVSUFKVJANSOTJ-UHFFFAOYSA-N 260.356 3.668 30 20 CHED C=CCCC[C@@H](C)NC(=S)NCCc1ccc(F)cc1 789295965 YGOZXJPUZQFIBT-CYBMUJFWSA-N 294.439 3.577 30 20 CHED CCN(C)c1ccc(C=NNc2ccccc2Cl)cn1 790141224 ANACJAVFFBPKPL-UHFFFAOYSA-N 288.782 3.637 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1ccccc1Cl 790308920 UAMCAZLMMOWPLV-UHFFFAOYSA-N 293.685 3.833 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCCC2)c1cncs1 792882319 FFDKPKHKDSZXMR-SOFGYWHQSA-N 269.369 3.918 30 20 CHED Cc1cc2cc(C(=O)/C=C\c3c(C)cnn3C)oc2cc1C 794704215 ZKUPFTXNMGCCTK-WAYWQWQTSA-N 294.354 3.988 30 20 CHED CC(C)Oc1ccccc1/C=C\C(=O)c1ccnc(F)c1 794720962 XBAIUJPZZNHFLI-FPLPWBNLSA-N 285.318 3.904 30 20 CHED C=CCN(CCC#N)CC(=O)Nc1ccc([C@H](C)CC)cc1 794731525 BCQFVQUNTVQLRY-OAHLLOKOSA-N 299.418 3.540 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc(Cl)s1 795006675 RKMTZMHKEQVWHP-UHFFFAOYSA-N 269.732 3.772 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1)C1CC1 797570595 IMVUMJWFZSXNSJ-MQGYJPLLSA-N 288.416 3.973 30 20 CHED CCCCCCCCNC(=O)c1cn(C(C)C)cn1 798985814 OSYHUCQOJIYBQF-UHFFFAOYSA-N 265.401 3.554 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C1(c2ccccc2)CC1 799442874 CGOKHVHABBRMLC-UHFFFAOYSA-N 291.350 3.758 30 20 CHED C#CC[C@H](N[C@H](C)c1cccc(O)c1)c1ccccc1 799720430 IBASHVMHGWWJLR-KDOFPFPSSA-N 265.356 3.807 30 20 CHED C1CCC(ON=C2CCCC23CCOCC3)CC1 799885903 PRCJKJRROJZUOU-UHFFFAOYSA-N 251.370 3.672 30 20 CHED C=C(C)CCOC(=O)C(C)(C)COCc1ccccc1 800395311 RIDWTNZXGFYDLY-UHFFFAOYSA-N 276.376 3.739 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)nc2)cc1Cl 800896125 ZPKVZJXWHGDXPO-UHFFFAOYSA-N 292.169 3.550 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](O)c1cc(C)cc(C)c1 800992231 QBZYFRXAPMGPMU-IAGOWNOFSA-N 261.409 3.671 30 20 CHED C[C@@H](C#N)OCCN[C@@H](c1ccc(Cl)cc1)C1CCC1 801937071 CYAUWJWVVSXORT-BLLLJJGKSA-N 292.810 3.699 30 20 CHED C[C@H](C#N)OCCSCCc1c(F)cccc1Cl 802750915 FGOUOMQHPJNZNY-SNVBAGLBSA-N 287.787 3.683 30 20 CHED C#C[C@@H](NC(=O)[C@@](C)(C=C)CC)c1ccc(Cl)cc1F 804422588 SGPHNTFBCMQNBX-ZBFHGGJFSA-N 293.769 3.872 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccc(C)cc1 804491070 VWUPDXPPFCZEJF-YJBOKZPZSA-N 291.435 3.894 30 20 CHED C=CCC[C@@H](NC(=O)OC[C@@H]1CCCO1)c1ccccc1 805043182 OKXFXDXUCHOVCL-JKSUJKDBSA-N 289.375 3.599 30 20 CHED COc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1 806576966 KCOYDRPAJZYSKE-DHZHZOJOSA-N 285.730 3.566 30 20 CHED CCSCC(=NNc1ncccc1F)c1ccccc1 807987776 NMKJBVKWICGDSO-UHFFFAOYSA-N 289.379 3.790 30 20 CHED CC(=NN[C@H]1CCSC1)c1ccc2c3c(cccc13)CC2 808003626 RGNBNUOQMBEXFT-HNNXBMFYSA-N 296.439 3.758 30 20 CHED N#Cc1cc2ccccc2nc1N1CCCc2occc2C1 808167142 WKYLJDISWYHULT-UHFFFAOYSA-N 289.338 3.652 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C/c2cnccn2)cc1 809153316 QYKIKVHBVMIIEF-BQYQJAHWSA-N 266.344 3.571 30 20 CHED C#Cc1ccc(CNC2CC(c3ccccc3)C2)cc1 809616917 BTRKRTHRDNLNHO-UHFFFAOYSA-N 261.368 3.704 30 20 CHED C#C[C@H](NCc1ccc(SC(F)F)cc1)C(C)C 809685011 WDVZVOJVYZEBTH-ZDUSSCGKSA-N 269.360 3.749 30 20 CHED C=CCCCCCCCNC(=O)Cc1csc(C)n1 810768893 YGKFAVGPKBUCGD-UHFFFAOYSA-N 280.437 3.637 30 20 CHED CC(CCC1CCCC1)=NNC[C@@H]1CCSC1 811662431 KTKKEFOWQCVUPV-AWEZNQCLSA-N 254.443 3.675 30 20 CHED CC(=NOC1CCC1)[C@H](C)Cc1ccccc1[N+](=O)[O-] 812236151 XGOVKTFLUQPDCT-LLVKDONJSA-N 276.336 3.718 30 20 CHED C=CCOCCOC(=O)C[C@@H](CC)c1ccc(C)cc1 813894346 JOEADBSACVXYLF-OAHLLOKOSA-N 276.376 3.625 30 20 CHED O=C(/C=C/c1cnn(CC(F)F)c1)c1ccccc1Cl 814186960 VONMGQDLONCART-AATRIKPKSA-N 296.704 3.698 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccccc1[N+](=O)[O-] 814685371 GUTHNDBLXWPQCP-NSHDSACASA-N 286.335 3.713 30 20 CHED C[C@H]1C[C@@H](C(=O)O)CCC1=NNc1c(F)cccc1Cl 814904874 CIMBNZVHFXGPSW-IUCAKERBSA-N 298.745 3.768 30 20 CHED CO[C@@](C)(C=NN[C@@H](Cc1ccccc1)C(C)C)C1CC1 814906657 CXIJSKDMPZTAPV-ROUUACIJSA-N 288.435 3.644 30 20 CHED CCc1cccc(C)c1NN=C(C)C1CCN(C)CC1 814923841 YZXRHPBHUJAGQE-UHFFFAOYSA-N 273.424 3.687 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NOCCC2CC2)C1 814941016 ADTKXLHELMRZSM-AWEZNQCLSA-N 281.396 3.693 30 20 CHED Cc1cc(Cl)cc(CNCc2cc(C#N)ccc2F)c1 815127351 QHZKVNBBCHQJTK-UHFFFAOYSA-N 288.753 3.949 30 20 CHED C=CCCCOC(=O)c1cnc2c(F)ccc(F)c2c1 815355814 RGTWHCCJAQIESD-UHFFFAOYSA-N 277.270 3.636 30 20 CHED C=CCC(C)(C)c1noc(CN(CC)c2ccccc2)n1 815704908 STXADVXDVAOIGI-UHFFFAOYSA-N 285.391 3.950 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cc2c(F)cccc2s1 817618026 PLQUDQPWSNQZAV-UHFFFAOYSA-N 290.363 3.662 30 20 CHED N#Cc1ccc([C@@H](O)CNc2ccc(C3CCC3)cc2)cc1 819479951 VONCNNJHJQHPPZ-IBGZPJMESA-N 292.382 3.971 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F 821009050 WNDKVUDLTWZUFB-FPYGCLRLSA-N 289.237 3.769 30 20 CHED CC(C)C#CC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 821056028 WSWVGOQMGMOBJF-LBPRGKRZSA-N 263.768 3.519 30 20 CHED C=CC[C@H](C)N[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1 825660175 YSWFKBMWAWLHFP-UFBFGSQYSA-N 288.174 3.673 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1cncc(C)c1 835021623 YNWUSVBTHMQJMH-KRWDZBQOSA-N 283.350 3.530 30 20 CHED CCC(C=NNc1cccc(Br)n1)CC 835024240 HMFJSOXKTSFUSJ-UHFFFAOYSA-N 270.174 3.678 30 20 CHED C=CC[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 835325344 VDACPSCPWXMEIM-AWEZNQCLSA-N 291.347 3.683 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)/C=C\SCc2ccco2)C1 839057314 SJMMOMASKMFEAT-YVNFWLBFSA-N 291.372 3.652 30 20 CHED c1cnc2c(CNN=C3CCC[C@@H]4C[C@H]34)cccc2c1 841617155 FNXAWVBCHLNXIP-HIFRSBDPSA-N 265.360 3.500 30 20 CHED Clc1cccc(NN=CC[C@H]2CCOC2)c1Cl 841646628 ZZJPPEHSIVORJR-VIFPVBQESA-N 273.163 3.818 30 20 CHED N#C[C@@H](OC(=O)c1csc(C2CCCCC2)n1)C1CC1 842314816 DOLHXIMMKZQYMA-CYBMUJFWSA-N 290.388 3.650 30 20 CHED CC(=NNc1nccnc1C(C)C)[C@@H]1C[C@H]2C=C[C@H]1CC2 842531218 IGIFBVHFEHVACY-KKUMJFAQSA-N 284.407 3.990 30 20 CHED COCC(CC(C)(C)C)=NNc1cccc(Cl)n1 844596791 BSHUSOCSDJEXNS-UHFFFAOYSA-N 269.776 3.586 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(C2CCC2)cc1 844648420 ZSYKYCCXANJGNQ-NSHDSACASA-N 260.337 3.582 30 20 CHED CCOc1ccc(COC(=O)c2cc(C#N)oc2C)c(C)c1 847120091 XXRWNEHPSMFGTN-UHFFFAOYSA-N 299.326 3.524 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 851206558 UNBMSDISFAWISR-VBNZEHGJSA-N 296.370 3.533 30 20 CHED C#CCCCCCC(=O)NC1(c2cccc(OC)c2)CCC1 856206737 KDPSLDZPBPWQBX-UHFFFAOYSA-N 299.414 3.774 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2sccc2C#N)C1 864257936 NRLHYMPWGOTXEU-LLVKDONJSA-N 277.393 3.664 30 20 CHED N#C[C@@H](SC1=Nc2ccccc2CS1)C1CC1 865348959 JFXWZKIUDDQQQN-GFCCVEGCSA-N 260.387 3.956 30 20 CHED C[C@@H]1CC/C(=C/C(=O)Nc2cc(C#N)c(F)cc2F)C1 876345300 CXFAYEYVRHUDNB-JRZFIGEHSA-N 276.286 3.521 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](C)Cc1ccccc1OC 879004658 GJXCMYNRELWMGV-AWEZNQCLSA-N 289.419 3.687 30 20 CHED CCc1cccc(NC(=O)CC2(C#N)CCCCC2)c1O 885646231 JXCASPRKWVCPHP-UHFFFAOYSA-N 286.375 3.757 30 20 CHED CCCCCCCCC(=O)Nc1ccccc1C(=O)NC 887302321 SJUQMVOBXGEYOP-UHFFFAOYSA-N 290.407 3.735 30 20 CHED C=CCCCCNCc1cnc(CC(F)(F)F)s1 893655284 KJTFSXIVQWZHDU-UHFFFAOYSA-N 278.343 3.694 30 20 CHED CC(=O)c1ccc(N2CCC[C@H](C#N)C2)cc1C(F)(F)F 895648826 SLJQGWCBNKYMGH-LLVKDONJSA-N 296.292 3.648 30 20 CHED C[C@@H](CCC#N)CNCC1(c2cccc(F)c2)CCC1 896833539 XPISRBFUOLBFME-AWEZNQCLSA-N 274.383 3.777 30 20 CHED C=C1CC(c2noc(C3CCC(F)(F)CC3)n2)C1 896882902 MFEGFEGEEMYQFV-UHFFFAOYSA-N 254.280 3.796 30 20 CHED C=CCNc1ncc(C(=O)N(CC)C2CCCCC2)s1 900117694 JGMIZHWQNZSOPL-UHFFFAOYSA-N 293.436 3.536 30 20 CHED C=C1CCC(C(=O)Nc2cccc(-c3ncc[nH]3)c2)CC1 900555000 AZXSMDQYAZGSOX-UHFFFAOYSA-N 281.359 3.762 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C(=O)O)c1cccc(C)c1C 901854079 YYBRTHIRYMDYQK-BJJXKVORSA-N 275.392 3.619 30 20 CHED N#Cc1ccc(NC(=O)Nc2cnn(C3CCCC3)c2)cc1 902956824 NIJMAJXJIJKCIA-UHFFFAOYSA-N 295.346 3.514 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(C)nc1Br 904004206 QIWJNKKOWGZVNV-JTQLQIEISA-N 297.196 3.693 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(O)c1Br 908717193 GTSCDCBNUARMJE-UHFFFAOYSA-N 298.180 3.696 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1ccc2c(c1)CCCC2 915970577 HTCNZLUWIIZISR-UHFFFAOYSA-N 294.402 3.808 30 20 CHED C#CCOc1ccccc1C=NNc1cccc(Cl)c1 916269586 ZQQKJKOLNVBUSP-UHFFFAOYSA-N 284.746 3.798 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NC[C@H]1CCCOC1 918018898 JMIXDSZMGOXQNX-JKSUJKDBSA-N 298.471 3.709 30 20 CHED CC(=O)Nc1cccc([C@@H](C)N[C@H](C)CC(C)(C)C#N)c1 924597945 CKVZDAFNSCDTCG-CHWSQXEVSA-N 287.407 3.624 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC(F)(F)c1ccccc1 926260374 QRPVZGOZGFSIPQ-LBPRGKRZSA-N 266.335 3.696 30 20 CHED CC(C)c1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cn1 928619864 XTZHSEXCIMXLNN-QGZVFWFLSA-N 283.375 3.618 30 20 CHED CC(C)Cc1ccc(C(=O)N(CCC#N)CC2CC2)s1 931937989 KKPFKWWKQTUVRZ-UHFFFAOYSA-N 290.432 3.712 30 20 CHED C=C(C)CCC(=O)N[C@H](COC)c1cccc(Cl)c1 1121187969 NOZCMKJFBLRUGV-CQSZACIVSA-N 281.783 3.500 30 20 CHED COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1C#N 1132547450 CXWAGVYMFOVYDR-ZDUSSCGKSA-N 294.354 3.699 30 20 CHED C=C(Br)CNc1nc2cccc(F)c2s1 1162321357 QIWCSIMQAISRBU-UHFFFAOYSA-N 287.157 3.756 30 20 CHED N#Cc1cccc(NCC2(c3c(F)cccc3F)CCC2)n1 1163507367 FBHUYKPAESECQO-UHFFFAOYSA-N 299.324 3.765 30 20 CHED CCO[C@H]1C[C@H](NCCC2(C#N)CCCCC2)C12CCC2 1194447711 XHHZYEQOVPMQCH-HOTGVXAUSA-N 290.451 3.788 30 20 CHED CCCC[C@@H](CCC)NC(=O)CC#Cc1ccccc1 1252966920 BYBLYDCIQRAEPO-QGZVFWFLSA-N 271.404 3.903 30 20 CHED CCCC(CCc1ccccc1)=NNc1ccn(C)n1 1255670279 FTVGYLXACWCONF-UHFFFAOYSA-N 270.380 3.621 30 20 CHED C[C@H](CC(=O)OCc1ccc(C#N)s1)c1ccccc1 1261558500 IPRSXKWUMVXPOU-GFCCVEGCSA-N 285.368 3.857 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)c2cnc(C)s2)n1 1262703454 JVGPUJIHFZWZTC-SNVBAGLBSA-N 272.377 3.508 30 20 CHED C=CCC[C@@H]1CCCN1c1cc(C#N)cc(Cl)n1 1262711940 NKNKMWPIHBNPCS-GFCCVEGCSA-N 261.756 3.542 30 20 CHED C=CC[C@@H](c1ccccc1)c1nnc(N2CCC[C@H]2C)n1C 1262911473 AFOXDPXQOQLORU-ZBFHGGJFSA-N 296.418 3.512 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H](CC)CC1CCCC1 1289299969 XSWWOYAPDDWXQT-CABCVRRESA-N 264.413 3.744 30 20 CHED Cc1cc(C)c2c(c1)CCN(CCc1ccc(C#N)cc1)C2 1308173470 JAVCIWMIAIGALU-UHFFFAOYSA-N 290.410 3.776 30 20 CHED COc1cc(C=NNc2c(F)cccc2F)ccc1F 1319570823 ALADPTBZOAERLA-UHFFFAOYSA-N 280.249 3.559 30 20 CHED CCc1nc(C)c(-c2nnc(-c3ccc(C#N)cc3)o2)s1 1322502270 JDBIBYXVCKKBPW-UHFFFAOYSA-N 296.355 3.603 30 20 CHED CCN(C(=O)CC#Cc1ccccc1)[C@@H]1CCCC[C@H]1C 1322557545 NJGGXDLOBPMSEZ-SJLPKXTDSA-N 283.415 3.855 30 20 CHED Cc1cc(C)c(NC(=O)CC#Cc2ccccc2)c(C)c1 1323857190 HDOQAEKAWUIFOP-UHFFFAOYSA-N 277.367 3.992 30 20 CHED CCC1(c2noc(-c3csc(C#N)c3)n2)CCCC1 1324849268 YGEIZCKMPGCIPP-UHFFFAOYSA-N 273.361 3.892 30 20 CHED C[C@@]1(NC(=O)c2csc(C#N)c2)CCCc2ccccc21 1325165826 KSYJOVYFCOEDJR-QGZVFWFLSA-N 296.395 3.601 30 20 CHED CC(=NNCc1ccc(F)cc1)c1ccc(O)c(Cl)c1 1325616132 RCOJOCRFJDTRRX-UHFFFAOYSA-N 292.741 3.699 30 20 CHED CC(C)(C)Cc1nnc([C@@H]2C[C@H]2c2cccc(C#N)c2)o1 1327037771 AKTIFZCCIOFISW-UONOGXRCSA-N 281.359 3.801 30 20 CHED C[C@@H]1COc2ccccc2[C@@H]1OC(=O)c1csc(C#N)c1 1328236682 XKBRWQPYJWEHGY-MEBBXXQBSA-N 299.351 3.546 30 20 CHED N#Cc1ncccc1NCc1cnc(-c2ccccc2)s1 1330035800 OODUFIFREZYGRS-UHFFFAOYSA-N 292.367 3.689 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 1339152756 MRSBFKGHIUSDRX-BPQIPLTHSA-N 299.414 3.756 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc(C(C)(C)C)oc1C 1341176021 VLAYILJLNDHTLL-LLVKDONJSA-N 276.380 3.507 30 20 CHED Cc1ccc(C(=O)O[C@H](CC#N)c2ccco2)c(C)c1 1347948112 BKXDLWRLQRRYIJ-OAHLLOKOSA-N 269.300 3.708 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(C)C)nc1 1349862908 HJOZWZIDPMQCAH-OAHLLOKOSA-N 272.392 3.776 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2ccccc2s1 1349908230 XTYOCXKATDGXEY-GFCCVEGCSA-N 272.373 3.666 30 20 CHED Cc1nscc1C(=O)N(c1ccccc1C#N)C1CCC1 1353517167 DYSQWQHTYUKXAT-UHFFFAOYSA-N 297.383 3.523 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cn(C(C)(C)C)nc1C 1353906284 TUKPCHRWCNWBLK-AWEZNQCLSA-N 289.423 3.517 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 1358126252 KPJFYELLIAEYCB-CYBMUJFWSA-N 284.403 3.682 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F 1435411804 COYFKRZIXLSINK-JSGCOSHPSA-N 275.323 3.567 30 20 CHED Cc1csc(NC(=O)c2nsc3ccccc23)c1C#N 1436191212 JTTKSGDNHGGZCP-UHFFFAOYSA-N 299.380 3.790 30 20 CHED CCC1(CC)[C@@H](Nc2cc(F)cc(C#N)c2)C[C@H]1OC 1462500777 AXVMIKLFSPHZAA-LSDHHAIUSA-N 276.355 3.703 30 20 CHED CC(C)c1nc2ccc(Nc3cc(C#N)cnn3)cc2s1 1472674209 FSJVWRPNYUCQTR-UHFFFAOYSA-N 295.371 3.825 30 20 CHED CC(C)c1nc2ccc(N=c3cc[nH]c(C#N)c3)cc2s1 1472675402 UJPDRBCYMBOLKA-UHFFFAOYSA-N 294.383 3.852 30 20 CHED C=C[C@H](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2o1 1515838145 RVQWPMNWGFQKIZ-VXGBXAGGSA-N 268.316 3.606 30 20 CHED C[C@@H](CCNC(=O)c1ccc(C#N)cc1)CC(C)(C)C 1516247202 HSBVGYOVGKQYEN-ZDUSSCGKSA-N 272.392 3.750 30 20 CHED C=CC[C@H]1CCCN(c2nnc(-c3ccco3)n2CC=C)C1 1519558697 AWBQWDLGDXWWGE-AWEZNQCLSA-N 298.390 3.517 30 20 CHED N#CC[C@@H](OC(=O)CC1=CCCCC1)c1ccco1 1526993713 WKHLBWFLFJVYBW-CQSZACIVSA-N 259.305 3.668 30 20 CHED Cc1cc(C#N)cc(NC(=O)C(F)(F)c2ccccc2)c1 1528802585 RDKNGJJDUAZFMT-UHFFFAOYSA-N 286.281 3.597 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2F)CC1 1529714019 MFYABHYNLVRMGY-AWEZNQCLSA-N 288.366 3.596 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(C#N)c(F)cc1F 1535439845 ZNPJEDUADGTSFH-MNOVXSKESA-N 292.329 3.991 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 1544187820 UBIMSBYSNMWIAG-DUVNUKRYSA-N 271.360 3.989 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC/C=C/c2ccccc2)n1 1544535339 WRKKHMPTPMTQRN-WEVVVXLNSA-N 291.354 3.694 30 20 CHED C=CCC(C)(C)CNCc1c(C(=O)O)[nH]c2ccccc12 1588736528 NEWFIBCBJLGWBE-UHFFFAOYSA-N 286.375 3.558 30 20 CHED CC1(C)CCC[C@H]1NN=C1CCC[C@H](CCCC(=O)O)C1 1604531970 KNXHPRADVUOMER-UKRRQHHQSA-N 294.439 3.956 30 20 CHED Cc1ccc(SCc2cccc(C(=O)O)c2)c(C#N)c1 1607824478 ZADNRFDIIYXSSH-UHFFFAOYSA-N 283.352 3.857 30 20 CHED Cc1ccnc(N[C@@H](C)[C@H]2CCC[C@H](C)C2)c1C#N 1640036135 MJZWPIGMEMLNMH-UBHSHLNASA-N 257.381 3.888 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1CCOc1ccccc1C#N 1642115513 ITPPZAPGEYRROL-NVXWUHKLSA-N 286.419 3.838 30 20 CHED N#Cc1c(F)cccc1Oc1nc2ccccc2nc1F 1642458413 KXTHGZKWYINVAT-UHFFFAOYSA-N 283.237 3.572 30 20 CHED COc1cc(OCc2cccc(Cl)c2F)ccc1C#N 1643890378 COCDWXHWEFUGCX-UHFFFAOYSA-N 291.709 3.938 30 20 CHED N#C[C@H]1CCCN(CCOc2cc(Cl)cc(Cl)c2)C1 1644439473 BTBHAIMEYBLRRS-LLVKDONJSA-N 299.201 3.608 30 20 CHED CCO[C@@H]1C[C@@H](Nc2nccc(C)c2C#N)C1(CC)CC 1651574622 NFSYPVWPQIWOTH-HUUCEWRRSA-N 287.407 3.657 30 20 CHED N#CCC1(CNc2ccnc(-c3cccc(Cl)c3)n2)CC1 1651806372 NGFWJOCAUKSFRU-UHFFFAOYSA-N 298.777 3.903 30 20 CHED Cc1ccc([C@H](C)CNC(=O)Nc2sccc2C#N)cc1 1672812286 FQIXXQSHPCDKJU-GFCCVEGCSA-N 299.399 3.853 30 20 CHED Cc1cc(NC(=O)N[C@@H](C)CCCC(C)C)ncc1C#N 1673532220 LECQYNKKUJMFLW-ZDUSSCGKSA-N 288.395 3.598 30 20 CHED C=C(CNC(=O)NC1C[C@@H](C)C[C@H](C)C1)c1ccccc1 1679150107 WEJADRLCOUVICN-KBPBESRZSA-N 286.419 3.824 30 20 CHED CCc1ccc(CCC=NNc2ccccc2C(=O)O)cc1 1776030485 FJMAYWBKUBETQB-UHFFFAOYSA-N 296.370 3.978 30 20 CHED C=C(C)C[C@@H](NCc1ccc2ccccc2c1C)C(=O)O 1776137916 XHUYWRVYLNQPAL-QGZVFWFLSA-N 283.371 3.657 30 20 CHED CN(C)c1ccc(C/N=C/c2cc(Cl)ccc2O)cc1 5261794 TXKBSMMDIRSMTM-WOJGMQOQSA-N 288.778 3.731 30 20 CHED N#Cc1ccccc1NC(=O)CCSCc1ccccc1 10502094 UQGTZMUIVQZYEU-UHFFFAOYSA-N 296.395 3.820 30 20 CHED COc1ccc(/C=C2\COc3ccccc3C2=O)cc1C 11291343 AHJCHJYGFFXSSA-GXDHUFHOSA-N 280.323 3.662 30 20 CHED CO[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 37253477 VLSCNDRPKHUTCC-KGLIPLIRSA-N 264.756 3.581 30 20 CHED CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 43329686 CPZWRXVBENYMHY-QGZVFWFLSA-N 291.354 3.709 30 20 CHED CC(=O)c1c(F)cccc1NCc1ccc(C#N)cc1 48561605 SPZCKAGIRZSBAO-UHFFFAOYSA-N 268.291 3.512 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1 55352787 ZJZCMFNQGKHEHC-KRWDZBQOSA-N 276.339 3.617 30 20 CHED CCCCCCCCC(=O)NCc1ccc(C#N)cc1 59281414 WGCAMXQHYOEAOJ-UHFFFAOYSA-N 272.392 3.925 30 20 CHED CCC1(C)CCN(Cc2cc(C#N)ccc2F)CC1 60941623 JNHOFLYLOHKFEO-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=CCN(Cc1cccs1)Cc1ccccc1[N+](=O)[O-] 60942768 WTCLFOPXTOVMBI-UHFFFAOYSA-N 288.372 3.845 30 20 CHED CC(C)(CC(=O)NCC#Cc1ccccc1)c1ccccc1 67142629 LAQXUZQYQQISAX-UHFFFAOYSA-N 291.394 3.522 30 20 CHED CCCc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1 67480092 VLJAOJRYJRYRRO-UHFFFAOYSA-N 292.382 3.783 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@@H](C)CC(C)C 67821665 CDKYVWSZXBZODC-LBPRGKRZSA-N 258.365 3.878 30 20 CHED CCN(CC#N)Cc1csc(Nc2ccccc2C)n1 68815623 RRONGWCTZSJDOV-UHFFFAOYSA-N 286.404 3.541 30 20 CHED CC[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)CCO1 70358017 OKKFUCHXDNVCKC-CVEARBPZSA-N 288.391 3.739 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(C)c1O 71923715 URHDPDUIMPQBJD-VOTSOKGWSA-N 277.323 3.777 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccncc1Cl 73093369 SLUGHZPPDNJUJN-UHFFFAOYSA-N 292.810 3.944 30 20 CHED C=C(Cl)C[S@@](=O)Cc1cc(Cl)ccc1Cl 78736505 UGLOGVFEUAQCDW-HNNXBMFYSA-N 283.607 3.995 30 20 CHED Cc1ccsc1CN[C@@H](C)c1cccc(C#N)c1 91437426 PGGPEANWZUIGTQ-LBPRGKRZSA-N 256.374 3.779 30 20 CHED CC(C)C[C@H](CCO)CNc1ccc2cc(C#N)ccc2n1 92918569 MNSDZWARLZBQLL-HNNXBMFYSA-N 297.402 3.563 30 20 CHED C=CCCC(=O)Nc1cccc(OCc2cccnc2)c1 102233349 IMWGTBILBKUSSG-UHFFFAOYSA-N 282.343 3.565 30 20 CHED CCCCCCCCN[C@@H]1CCN2CCC[C@@H]2C1 106869015 WFWPFSSBBQCGNE-HZPDHXFCSA-N 252.446 3.563 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)CCCCc1ccccc1 116974427 CIEOLYNCTIGBFH-OAHLLOKOSA-N 274.408 3.615 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 117195880 MGEQIBAWXAPKNA-QGZVFWFLSA-N 284.403 3.528 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 119327382 JJOBZWTVBJPFPM-IRXDYDNUSA-N 294.483 3.680 30 20 CHED N#Cc1ccc(CNc2cccc(-c3nccs3)c2)o1 120768496 CVSMCABCWPAYFO-UHFFFAOYSA-N 281.340 3.887 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@@H]1C[C@H]1c1ccco1 121301912 BEFZICFNNVXLMH-HUUCEWRRSA-N 298.338 3.726 30 20 CHED C=CCn1c(SCC2CC2)nnc1-c1ccc(F)cc1 122834559 KFDJNRBUTBMANP-UHFFFAOYSA-N 289.379 3.772 30 20 CHED CCc1nnc(Sc2ccccc2C)c(C#N)c1CC 125405076 MADPWYXWKZAGQQ-UHFFFAOYSA-N 283.400 3.933 30 20 CHED CC[C@@H](C#N)Sc1ncnc2sc3c(c12)CCCC3 127100495 YCHRDLNJLVZLDQ-VIFPVBQESA-N 289.429 3.964 30 20 CHED CCCCCCCOC(=O)[C@H]1CCC(=O)C[C@@H]1C 127487891 JPKNPGOYMHIFIQ-JSGCOSHPSA-N 254.370 3.505 30 20 CHED C=C[C@H](CC(=O)Nc1cccc(O)c1F)c1ccccc1 129408731 VTNOWHXHJRVFAQ-GFCCVEGCSA-N 285.318 3.830 30 20 CHED CCCCCCCCCNC(=O)[C@H](C)c1c(C)n[nH]c1C 131058871 ZSVKAJNZCQOJSC-CYBMUJFWSA-N 293.455 3.997 30 20 CHED CC[C@@H](CSc1ccccc1)NCc1ccc(C#N)o1 131671184 RWXIHZLQHRRKPF-ZDUSSCGKSA-N 286.400 3.812 30 20 CHED C=C(Cl)CNC(=O)c1cc2c(F)cccc2s1 134820106 JRRLBBPDUGSTOB-UHFFFAOYSA-N 269.728 3.523 30 20 CHED C[C@H](CCNCc1ccc(C#N)s1)c1ccccc1 135688807 APYJPBLMFLBIII-CYBMUJFWSA-N 270.401 3.903 30 20 CHED CCCCCCCC(=O)Nc1cc(OC)ccc1C(=O)O 148497176 MSYDQXLHMVTZGU-UHFFFAOYSA-N 293.363 3.692 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccccc1Br 149044045 SDMRMWGRCZTSIX-NSHDSACASA-N 293.208 3.794 30 20 CHED C=CCCSCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 151961813 MKLOCTQBKUJBQS-LBPRGKRZSA-N 281.396 3.654 30 20 CHED C=C(C)CNC(=O)Cc1ccc(-c2ccccc2)cc1 153031286 SBMCQPVRAHPTQJ-UHFFFAOYSA-N 265.356 3.588 30 20 CHED C[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 154298600 YOZPCRACYMXSHQ-GWCFXTLKSA-N 276.767 3.520 30 20 CHED CN(C)c1ccccc1NC(=O)c1ccc(C#N)c(Cl)c1 154550014 YNJHQXZRMOZXON-UHFFFAOYSA-N 299.761 3.530 30 20 CHED CCCCCCCCC(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 154651077 UQSACDMTOULGDX-IRXDYDNUSA-N 294.483 3.680 30 20 CHED CC(C)c1cc(C(=O)N[C@H](CCC#N)c2ccccc2)no1 156195876 NTENDCNPIZLXHL-CQSZACIVSA-N 297.358 3.573 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCO[C@H](c2ccccc2)C1 157280724 JTEDTSJLUATCKG-SJORKVTESA-N 286.419 3.826 30 20 CHED C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 162907839 YYXKXKJGYSAPOM-GFCCVEGCSA-N 262.784 3.834 30 20 CHED CC[C@@H](CC#N)NCc1ccc(C)c(Br)c1 163696424 PYPVAWPEMOZYRD-LBPRGKRZSA-N 281.197 3.539 30 20 CHED COc1cc(Br)cc(NCC2(CC#N)CC2)c1 169110417 AUNVZCKLYSBFTC-UHFFFAOYSA-N 295.180 3.563 30 20 CHED N#Cc1ccccc1NC(=O)c1cnc(-c2ccco2)s1 171425988 GLALTSGPZJUKBN-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C#Cc1cccc(NC(=O)N2CCCc3ccccc3C2)c1 171634646 LXTQQZLBBAEIRV-UHFFFAOYSA-N 290.366 3.648 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1c(F)cccc1F 172671495 OCWYVJJOZISJHG-VIFPVBQESA-N 271.332 3.601 30 20 CHED N#Cc1ccc(CNCCc2c(Cl)cccc2Cl)o1 174298414 PCMCNSZONZLKBH-UHFFFAOYSA-N 295.169 3.790 30 20 CHED N#Cc1ccc(F)c(CN2CCS[C@H]3CCCC[C@@H]32)c1 177209239 VHUFTNAYOUCWDK-HOTGVXAUSA-N 290.407 3.557 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1coc2ccccc12 178639277 IUIRHOKEGIYLQW-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C=CCC[C@@H](CCC)NC[C@H](C)Cn1ccnc1C 178708049 KOPSTGFZYZUJFW-GOEBONIOSA-N 263.429 3.552 30 20 CHED C[C@H](Nc1ccccc1O[C@H](C)C#N)C1CCCC1 180205308 CYUILZRJVPCMLS-OLZOCXBDSA-N 258.365 3.968 30 20 CHED C[C@H](NCCCCN1CCCC[C@@H]1C)c1ccc(C#N)cc1 181511270 NEWIUGVUFIALQE-IRXDYDNUSA-N 299.462 3.863 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1O[C@@H](C)C#N 182038458 QFGBIJQPJGFTNP-ZDUSSCGKSA-N 284.359 3.684 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(F)cc2cccnc12 182639198 BAWLAKMTUKVLAY-GFCCVEGCSA-N 286.350 3.849 30 20 CHED Cc1cccc([C@@H]2CCCCN2C(=O)NC[C@@H](C)C#N)c1C 182853132 MPPDQHFHUJEPQH-GUYCJALGSA-N 299.418 3.700 30 20 CHED C=C(C)[C@H](NC(=O)c1occc1C)c1ccc(F)c(F)c1 186042542 ICGWPDSCTURWDS-AWEZNQCLSA-N 291.297 3.913 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc(C)n1)c1ccccc1 186221343 HIIUXEGMIHGNDE-OAHLLOKOSA-N 266.344 3.688 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)nc1 187312146 NOBCABCBAATBCI-GFCCVEGCSA-N 285.778 3.800 30 20 CHED CC[C@H]1[C@H](C)CCN1Cc1ccc(N(C)CCC#N)cc1 187580760 UWMDTOCDWPJNBW-QAPCUYQASA-N 285.435 3.657 30 20 CHED C[C@@H](CCC#N)Sc1nnc(-c2ccccc2)o1 188217565 GDECYBDHAIVHPD-JTQLQIEISA-N 259.334 3.521 30 20 CHED C=CCC[C@H](C(=O)NCc1ccncc1C)c1ccccc1 188847099 DFQSTZQJAQVEHB-SFHVURJKSA-N 294.398 3.756 30 20 CHED CCN(CC[C@@H]1CCCO1)[C@@H](C)c1ccc(C#N)cc1 188871600 FLBRQBCKFRFRKH-YOEHRIQHSA-N 272.392 3.510 30 20 CHED COc1ccccc1C(C)(C)NCc1ccc(C#N)c(F)c1 192100379 MVVZWHBCPLHUPR-UHFFFAOYSA-N 298.361 3.731 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2ccncc2)c1 192763353 XQLSVHUXDPBJBS-VOTSOKGWSA-N 265.312 3.543 30 20 CHED CC(C)OCc1ccc(Nc2ccc(C#N)cn2)cc1 194044188 NGMWNCBDTPEAHM-UHFFFAOYSA-N 267.332 3.622 30 20 CHED COc1cccc2c1CCC[C@@H]2NCc1cccc(C#N)c1 194845889 ATFGJRIJJYJKNJ-SFHVURJKSA-N 292.382 3.734 30 20 CHED CCO[C@H](C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 195233641 KMCHRKHFPAFAHO-KRWDZBQOSA-N 294.354 3.583 30 20 CHED C/C(=C\C(=O)NC1(C#N)CCC1)C12CC3CC(CC(C3)C1)C2 206805889 KAEKMPKEIKZQSJ-WLRTZDKTSA-N 298.430 3.712 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1[N+](=O)[O-] 211801812 GXXYMRMKUYSFOH-UITAMQMPSA-N 283.283 3.505 30 20 CHED N#Cc1ccc(NCc2ccsc2)cc1Br 228187006 JPXHGAHPJTZYQO-UHFFFAOYSA-N 293.189 3.994 30 20 CHED Cc1cc(C)nc(SCc2ccccc2C#N)c1 229852031 WWMSAJVXDCSIDG-UHFFFAOYSA-N 254.358 3.862 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3c(Cl)cccc32)cc1 237786184 XXWXKYBODFKAGK-KRWDZBQOSA-N 282.774 3.989 30 20 CHED N#CCCCOc1cccc(CNC[C@H]2CC=CCC2)c1 237819795 HKXBSMUJQLQVJJ-INIZCTEOSA-N 284.403 3.815 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 248404086 ZQVJZAHMLJSIOU-SQNIBIBYSA-N 292.382 3.752 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2cccc(OC)c2)c1C 255160784 BXVLLALEYIYKAU-KTKRTIGZSA-N 298.386 3.815 30 20 CHED CCOc1ccc(C=NOCc2ccc(F)c(F)c2)cc1 255167017 DQKRNNNOSUANRA-UHFFFAOYSA-N 291.297 3.914 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 255288988 BTQQPNCCHLLOGN-CLTKARDFSA-N 288.690 3.539 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C\c1ccccc1C#N 255318120 BXMXQEMRSCWHIV-KTKRTIGZSA-N 295.386 3.550 30 20 CHED C[C@@]1(C/N=C\c2c(O)ccc3ccccc23)CCCO1 255499256 ZBMULVRKLURAQS-PBXDPIQXSA-N 269.344 3.533 30 20 CHED C=CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)c1ccccc1 261426593 BPCDPURQVAYVJP-DOTOQJQBSA-N 287.403 3.801 30 20 CHED N#Cc1cccc(Cl)c1N1CCCC2(CCOCC2)C1 266237770 KSYJMSHTIUTPTA-UHFFFAOYSA-N 290.794 3.609 30 20 CHED C=CCN(Cc1csc(-c2ccoc2)n1)C1CC1 271340745 BYUCYQCVFBLIIV-UHFFFAOYSA-N 260.362 3.554 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(OCC#N)cc1 271419071 QRXLYAAEOWDFFC-SFHVURJKSA-N 295.386 3.567 30 20 CHED CCC(CC)n1ccc(CN[C@H](C)c2ccc(C#N)cc2)n1 271661009 LDCJCISOPMEADW-CQSZACIVSA-N 296.418 3.967 30 20 CHED Cc1cccc([C@H]2CCCCN2C(=O)NCCCC#N)c1C 273228559 LNVOXVFRTWKKEX-QGZVFWFLSA-N 299.418 3.844 30 20 CHED N#CCSCc1nc(-c2ccccc2C(F)(F)F)no1 273640565 BSCCDANTCZHXLK-UHFFFAOYSA-N 299.277 3.512 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCCC1(C)C 274693236 KPDDVSWKRLGUNO-CHWSQXEVSA-N 286.375 3.742 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 279062311 ASYDKTFOSYRGKE-GJZGRUSLSA-N 299.418 3.715 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(c2cccc(C#N)n2)C1 286419888 OOIZEDHLSKRWQQ-CJNGLKHVSA-N 263.344 3.541 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 286541878 QULINNORXHQJTP-OWQGQXMQSA-N 297.402 3.554 30 20 CHED Cc1nn(C)c2cc(NCCCC(C)(C)C#N)ccc12 291017411 VRNRHWOZORPLLL-UHFFFAOYSA-N 270.380 3.624 30 20 CHED N#CCCCC(=O)N(c1ccc(F)cc1)C1CCCC1 291323874 KOWHEFACURGTRG-UHFFFAOYSA-N 274.339 3.795 30 20 CHED N#CCCCC(=O)Nc1cc(Cl)c(F)c(Cl)c1 292006532 XRFPDBBBUJRROC-UHFFFAOYSA-N 275.110 3.765 30 20 CHED C=CCC(C)(C)C(=O)NCCCO[C@@H](C)c1ccccc1 292303897 QFJNXUCYERGSHP-HNNXBMFYSA-N 289.419 3.873 30 20 CHED C=C[C@H](CC(=O)NCC1CC(F)(F)C1)c1ccccc1 298346148 SQDMTAPLVVDXKO-CYBMUJFWSA-N 279.330 3.508 30 20 CHED Cc1ccccc1C(NCCC#N)c1ccccc1C 299192160 CWPFQWGHUHLCHL-UHFFFAOYSA-N 264.372 3.896 30 20 CHED C=CCCO[C@H](C)C(=O)N(Cc1ccc(F)cc1)C(C)C 299351313 WFNMYDDJPBFWMV-CQSZACIVSA-N 293.382 3.544 30 20 CHED C[C@]1(CNc2c(Cl)cccc2C#N)CCCS1 301654020 ULALLJNZJYVPCR-CYBMUJFWSA-N 266.797 3.909 30 20 CHED CC(C)CC[C@@H]1CCCCN1c1ccc(C#N)nc1 301753643 CBJYVBSWNADLQG-HNNXBMFYSA-N 257.381 3.748 30 20 CHED C[C@]1(Cc2ccccc2)CCCN1c1ccc(C#N)cn1 302221485 NXIDIRLIGZILRC-GOSISDBHSA-N 277.371 3.555 30 20 CHED C=CCOC(=O)/C=C/c1ccccc1O[C@@H](C)CC 303245403 DHOVXPLSDCAAHR-NHAQELONSA-N 260.333 3.606 30 20 CHED C[C@H]1SCC[C@@H]1Nc1ccc(C#N)c(Br)c1 304411992 YCFRBSDWACRULE-PELKAZGASA-N 297.221 3.627 30 20 CHED C#CCN(C)CCCN[C@@H](C)c1cccc(Cl)c1Cl 328264878 MEBGQVIOADMACY-LBPRGKRZSA-N 299.245 3.599 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)o1 328841071 PEXGBSBNBORJCF-YNEHKIRRSA-N 276.380 3.819 30 20 CHED Cc1coc2ccc(N/C(O)=N/[C@@H]3CC[C@H](F)C3)cc12 329229896 CYPIDMNHBMMVGL-WDEREUQCSA-N 276.311 3.958 30 20 CHED Cc1ncc(/C(O)=N/CC[C@H]2C[C@H]3CC[C@H]2C3)c(C2CC2)n1 329423192 HRQAQNCAORFTQP-QEJZJMRPSA-N 299.418 3.793 30 20 CHED Cc1ccc(C(C)(C)/N=C(/O)[C@@H]2CCC(=O)[C@@H](C)C2)cn1 329770637 GEKNWOYDUPKACV-WCQYABFASA-N 288.391 3.587 30 20 CHED COc1cc(C)cc(N=C(O)NC2(C)CCCC2)c1C 331148529 NZPAHUPTRQXMSU-UHFFFAOYSA-N 276.380 3.780 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)c2ccccc21 334151897 LPFCSPBHYLPZNU-CYBMUJFWSA-N 276.339 3.517 30 20 CHED N#CCc1ccc(NC(=O)C2CCCCC2)c(Cl)c1 334531449 BKKZYDXIEOMKHV-UHFFFAOYSA-N 276.767 3.925 30 20 CHED C=CCC1(C(=O)N2CCCc3occc3C2)CCCC1 334653125 SCCOKWURVQYDAW-UHFFFAOYSA-N 273.376 3.691 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc3oc(C(F)(F)F)nc3c2)C1 334999942 JXVSMVUNTQXKAI-RKDXNWHRSA-N 295.264 3.951 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 335967034 KPQDNKOYAKKXEZ-SFHVURJKSA-N 292.382 3.530 30 20 CHED N#CCC1CCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)CC1 336202650 CUBLQLOZLAQYQQ-MSOLQXFVSA-N 296.414 3.723 30 20 CHED N#CCc1ccccc1NC(=O)C1CCC(F)(F)CC1 336494425 KWZVPXJSIFTFIN-UHFFFAOYSA-N 278.302 3.517 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1CSc2ccccc21 336511651 CWELVTKUUHVALE-AWEZNQCLSA-N 294.379 3.581 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)cs1 338211831 IBKVLVDHMXLFPN-AWEZNQCLSA-N 298.411 3.991 30 20 CHED CCOCc1cccc(NC(=O)c2cccc(CC#N)c2)c1 338659027 XEGGQPOALZYXIJ-UHFFFAOYSA-N 294.354 3.541 30 20 CHED COc1ccc(CN2CCCC[C@@H]2C(C)C)cc1C#N 340195443 REINODREJODWSJ-MRXNPFEDSA-N 272.392 3.577 30 20 CHED C[C@H]1Oc2ccccc2[C@H]1Nc1cccc(F)c1C#N 341054619 YGFAWZKHBLAJHI-HWPZZCPQSA-N 268.291 3.631 30 20 CHED COc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 341757803 LMIKZUMVYHXSNY-GOSISDBHSA-N 292.382 3.734 30 20 CHED C=CCC[C@@H](NCc1nccc(C)n1)c1ccccc1 341936986 ADTYJRIADLRTPP-MRXNPFEDSA-N 267.376 3.582 30 20 CHED N#CCCCNC(=O)CC1(CCc2ccccc2)CCCC1 342634591 PMVMVCMROGZSHG-UHFFFAOYSA-N 298.430 3.990 30 20 CHED Cc1cc(CN(C#N)c2ccc(F)c(C#N)c2)c(C)s1 343868848 GXHYFMUZFGFLCG-UHFFFAOYSA-N 285.347 3.863 30 20 CHED CCCC1(C(=O)Nc2ccc(CC#N)cc2)CCC1 345438682 AYXSCSLWGSIAHR-UHFFFAOYSA-N 256.349 3.662 30 20 CHED C=C(CNC(=O)C[C@H]1CC[C@@H](C)C1)c1ccccc1 345747844 LSKDRAPJEFQHIK-HIFRSBDPSA-N 257.377 3.642 30 20 CHED N#Cc1ccc(CNc2cccc3ncccc23)c(F)c1 347789212 FMARPSNLFARVTH-UHFFFAOYSA-N 277.302 3.858 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCCOc3cc(Cl)ccc32)C1 349338775 ATIPUEOMVCDWMW-UXIGCNINSA-N 290.794 3.836 30 20 CHED CN(CC1CCC1)c1c(C#N)cnc2c(F)cc(F)cc12 352325830 XUWJPABXFKTPAG-UHFFFAOYSA-N 287.313 3.621 30 20 CHED Cc1noc(C)c1[C@@H](C)CN[C@H]1CCc2ccc(C#N)cc21 353265447 YKRGMCZDUXJEMZ-GTNSWQLSSA-N 295.386 3.544 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1 354455670 XWOIBHDVZRIAFY-UHFFFAOYSA-N 281.355 3.529 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 357794062 NRRFUMDBPDMDEX-UONOGXRCSA-N 293.370 3.958 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC[C@@H](C)SC 358394033 BTFVEPGMOJYULR-CYBMUJFWSA-N 284.469 3.697 30 20 CHED C=CCOCCCOc1cccc2ccc(C)nc12 358578288 IYJYRIADMMYNMU-UHFFFAOYSA-N 257.333 3.515 30 20 CHED C#CCCCC(=O)N1CCCC2(CCCCC2)CC1 365248049 UMGQAVWWCFQUTD-UHFFFAOYSA-N 261.409 3.753 30 20 CHED CC1(C)CCC[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 368615850 RKPVUKGHKVPXHW-GOSISDBHSA-N 297.446 3.695 30 20 CHED C[C@@H](CCNCc1cccc(OCC#N)c1)c1ccccc1 387700293 JHGAEUXRBFJMMV-INIZCTEOSA-N 294.398 3.872 30 20 CHED CC(C)(COCc1ccccc1)NCc1ccc(C#N)cc1 390007094 BUTUALRNDPJPDY-UHFFFAOYSA-N 294.398 3.643 30 20 CHED C=CCCC[C@H](C)N[C@@H]1C[C@H](OCC)C12CCC2 398122336 RLDULTBRNDJPJO-ZNMIVQPWSA-N 251.414 3.669 30 20 CHED CCOc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 404865741 ZTWJJTIXSAVWBG-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED Cc1cc2sc(C(=O)N(C)[C@@H](C)C#N)c(C)c2cc1C 410885732 XPPFVAXOIFUEPD-NSHDSACASA-N 286.400 3.811 30 20 CHED CCCC1(C(=O)Nc2ccc(C#N)cc2C(C)=O)CCC1 411060040 GJEUIEQJLCWRPL-UHFFFAOYSA-N 284.359 3.670 30 20 CHED CCN(Cc1ccc(CN2CCCCC2)cc1)C[C@@H](C)C#N 411211988 UCOYTIXRTLPFSQ-KRWDZBQOSA-N 299.462 3.654 30 20 CHED CC[C@H](CN[C@H]1CCC[C@@H](C#N)C1)CC(F)(F)F 414274142 ZBJCLTRWOGQULI-TUAOUCFPSA-N 262.319 3.637 30 20 CHED CN(C(=O)c1ccc(C#N)s1)[C@H]1CCC[C@H]1C(C)(C)C 416281864 AYWGSYQYUXWFBB-OLZOCXBDSA-N 290.432 3.907 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCC1(C#N)CCC1 416346982 NOCLCTNAYYNSBF-GJZGRUSLSA-N 296.414 3.786 30 20 CHED N#Cc1ccc(CSCCC2CCOCC2)c(F)c1 419477681 ILOULXDLIGHKBW-UHFFFAOYSA-N 279.380 3.747 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCC[C@@H](SCC)C1 424665198 NKFYYFJXTSYNLH-CYBMUJFWSA-N 269.454 3.723 30 20 CHED Cc1cc(N(C)C[C@H](C)c2ccccc2)c(C#N)cn1 425221144 GCAWREFAKCXFCQ-ZDUSSCGKSA-N 265.360 3.502 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(NC)ccc1Cl 425306399 CDPPBACNFKURMN-UHFFFAOYSA-N 280.799 3.714 30 20 CHED Clc1cccc(C#CCN2CC[C@@H]3CCC[C@H]32)c1 426478279 AMNPFTMKNKPSCC-GOEBONIOSA-N 259.780 3.566 30 20 CHED N#CCC1(CN[C@@H]2CCc3ccc(Cl)cc32)CC1 429782527 ISPBZZLZIZAQFP-CQSZACIVSA-N 260.768 3.611 30 20 CHED C=CCC(C)(C)C(=O)NCCSCc1ccccc1F 429915964 HSDIINYBENAHCV-UHFFFAOYSA-N 295.423 3.777 30 20 CHED C=CCN(CCC#N)Cc1ccc2c(c1)CCC(C)(C)O2 430087221 RXDIMYHTVLJNFW-UHFFFAOYSA-N 284.403 3.692 30 20 CHED N#CCC1(CN[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 430750670 PELBTXRLGPEGSC-KRWDZBQOSA-N 295.361 3.594 30 20 CHED CC(C)(C)C(C)(C)CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 431505370 IUIJJSLCNQWUBR-UHFFFAOYSA-N 290.367 3.533 30 20 CHED C=CCN(CC=C)Cc1ccc(C(F)(F)F)s1 432743143 XIRBXFLWJDBJLD-UHFFFAOYSA-N 261.312 3.941 30 20 CHED C=CCC[C@H](NC(=O)c1ccc(C)n1C)c1ccccc1 435410650 JBKZULMCSNSTEZ-INIZCTEOSA-N 282.387 3.771 30 20 CHED CCO[C@@H](C)c1nccn1CCCCC(C)(C)C#N 436212774 WATCWWWUCWVXGC-ZDUSSCGKSA-N 263.385 3.701 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)[C@H](C)C1CCCCC1 437734795 QZGPHENJVITEJI-NWDGAFQWSA-N 290.432 3.954 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1c[nH]nc1-c1nccs1 447092312 APCOXRPOADDBSP-VHSXEESVSA-N 262.382 3.546 30 20 CHED C[C@@H]1c2ccsc2CCN1CC#Cc1ccc(F)cc1 448455165 BUEGCGMPWGPANK-CYBMUJFWSA-N 285.387 3.858 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2cccs2)CCCC1 449526093 YROVSKZLSPLZMA-ZDUSSCGKSA-N 277.433 3.932 30 20 CHED CC(C)[C@H](CO)[C@@H](NCCCCC(C)(C)C#N)C(C)C 451593866 IIGFAHJVOOEJNF-HOTGVXAUSA-N 282.472 3.585 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)no1 453173891 ZKKCQOIXXZMDQQ-GTNSWQLSSA-N 281.359 3.835 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(C(F)F)c1 454694818 SWGUIGBKWCTWCW-UHFFFAOYSA-N 254.280 3.712 30 20 CHED CC(C)(CCC#N)CNC(=O)NC[C@@H]1CCCC(C)(C)C1 454968036 WBJAPSNXWWMKEK-CQSZACIVSA-N 293.455 3.832 30 20 CHED C[C@H]1CC[C@H](N(C)C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 456039631 MUOBVTQLCLOEQQ-YOEHRIQHSA-N 298.430 3.774 30 20 CHED C=C(CNC(=O)c1ccc(C)nc1C1CC1)c1ccccc1 456045196 KQYLUDSRGCILAB-UHFFFAOYSA-N 292.382 3.711 30 20 CHED C[C@H](C(=O)N1CC[C@H](CC(C)(C)C)C1)c1cccc(C#N)c1 457089773 RXYVSZITJYMILL-GOEBONIOSA-N 298.430 3.946 30 20 CHED CCc1cccc(N(C)C(=O)C2(C#N)CCCCC2)c1 457328086 OMDSCFNUXUGDLV-UHFFFAOYSA-N 270.376 3.686 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)NCC(C)(C)CC#N 459262886 VXMVWPXFYGYCDT-UHFFFAOYSA-N 281.444 3.640 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462197861 VVXVUFPTRDKARY-HOCLYGCPSA-N 284.403 3.556 30 20 CHED CCCC[C@@H](C)N(C)C(=O)[C@@H](C)c1cccc(C#N)c1 462459356 NDCVFSHVPBCUMX-KGLIPLIRSA-N 272.392 3.699 30 20 CHED C[C@H]1CC(C(=O)N[C@](C)(C#N)C(C)(C)C)C[C@H](C)C1 464164407 ZXVXBVOXJWBFPG-XHBSWPGZSA-N 264.413 3.503 30 20 CHED CCC(CC)(C(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 464709901 JZJMCHWEKPMDOR-HNNXBMFYSA-N 286.419 3.799 30 20 CHED C=C[C@@H](C)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 465102278 KKEQHKKSQBPMDU-GHMZBOCLSA-N 285.309 3.890 30 20 CHED CCC(CC)(CC)NC(=O)N[C@H](C)c1ccc(C#N)cc1 465659517 NIRAIBMTWQJYJB-CYBMUJFWSA-N 287.407 3.887 30 20 CHED C=CC[C@H](CC)NC(=O)NC(C)(C)c1cccc(C)c1 466367815 ZVJIPUIUHLDFHU-HNNXBMFYSA-N 274.408 3.884 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(F)cc1N(C)C 467416723 IYRWGOLAKBRKPO-OCCSQVGLSA-N 264.388 3.897 30 20 CHED N#Cc1cccc(CCNC2CCC(C(F)(F)F)CC2)c1 467447428 UACSSFSUWCXXOV-UHFFFAOYSA-N 296.336 3.811 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(C(C)(C)C)no1 470916853 KKWBMGXXKUBSOU-UHFFFAOYSA-N 299.418 3.945 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC1(CC(C)C)CCC1 473862618 GKQFQSDCTGMJSQ-INIZCTEOSA-N 281.440 3.548 30 20 CHED N#Cc1cc(NC(=O)NCCC2CCCCC2)ccc1F 481651975 BBPQJKCLGXQZNB-UHFFFAOYSA-N 289.354 3.789 30 20 CHED CC#CCCNC(=O)N1CC(CC)(CC)c2ccccc21 483427479 RUSKPDPFKCPRRC-UHFFFAOYSA-N 284.403 3.687 30 20 CHED C=CCSc1ccccc1C(=O)Nc1ccccc1O 486119675 WNQPJPSQELJEAF-UHFFFAOYSA-N 285.368 3.923 30 20 CHED C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)Cc2ccccc2O1 488757816 ILSFBGOZLDEGDK-GFCCVEGCSA-N 298.773 3.999 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc(OC(C)(C)C)nc1 495444804 MKCZYXNGBDQRPD-KBPBESRZSA-N 276.424 3.949 30 20 CHED C=C[C@H](C)ON=C(C)CCCCNC(=O)OC(C)(C)C 496573593 UQRZOALCQOEIQG-ZDUSSCGKSA-N 284.400 3.648 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)CC(C)(C)C#N 497394942 ZYBRXVHAVUTQOX-MRXNPFEDSA-N 286.419 3.509 30 20 CHED C=CCOc1ccc(CNC(=O)N(C)[C@@H](C)CCC)cc1 508433670 LVTQUARAGDEYFL-AWEZNQCLSA-N 290.407 3.581 30 20 CHED C=C(C)CCc1noc(-c2ccc(OCC)cc2)n1 508643424 IPKVOOGUNXNQNM-UHFFFAOYSA-N 258.321 3.644 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 508734807 STLHAUXWEWHWPP-CABCVRRESA-N 296.418 3.613 30 20 CHED C=CCn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1C(C)(C)C 508952532 QWFBYZQDEGICBX-CYBMUJFWSA-N 290.455 3.634 30 20 CHED CCn1c2ccccc2c2cc(NC(=O)[C@H](C)C#N)ccc21 510364232 UGDLLFNYZWOUJI-GFCCVEGCSA-N 291.354 3.913 30 20 CHED C=CCN(CC=C)C(=O)NCC(C)(C)C1CCCC1 512445757 GMMCXTUMKNAREN-UHFFFAOYSA-N 264.413 3.586 30 20 CHED CN(CCCSc1cccnc1C#N)c1ccccc1 516937552 JSERWDYBGGZWLQ-UHFFFAOYSA-N 283.400 3.572 30 20 CHED N#Cc1ccc(CN(Cc2ccc(Cl)cn2)C2CC2)cc1 519722384 FYCHWDLLFVERQQ-UHFFFAOYSA-N 297.789 3.771 30 20 CHED CCOc1cccc(Cl)c1CN(CC)C[C@@H](C)C#N 521639953 RDDKQWYZTPGYGA-LBPRGKRZSA-N 280.799 3.720 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 528423818 ISPUYCQJHWDPMG-KBPBESRZSA-N 264.413 3.647 30 20 CHED C=C1CCN(CCc2c(F)cccc2Cl)CC1 530631922 TUFQPTVHKPSUHQ-UHFFFAOYSA-N 253.748 3.674 30 20 CHED N#Cc1ccc(CN2CCCC23CCCCC3)s1 536663280 BFEAMJCGWVJABH-UHFFFAOYSA-N 260.406 3.918 30 20 CHED C=C(CC)CNc1cccc(OC[C@@H]2CCCO2)c1 536882643 UCVNEQUTBCRZRV-INIZCTEOSA-N 261.365 3.623 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1ccc(CC)cc1)C(C)C 537093554 RQLASNTVOLEGBA-SJLPKXTDSA-N 275.436 3.720 30 20 CHED N#Cc1ccc(CNC2(c3ccc(F)cc3)CC2)s1 537308051 POGSAUVMHXFTBN-UHFFFAOYSA-N 272.348 3.538 30 20 CHED C=CCN(CC=C)C(=O)NC[C@@]1(C)CCCc2ccccc21 540414801 QBZCWRSYRNEEQN-LJQANCHMSA-N 298.430 3.664 30 20 CHED CC(=O)c1ccc(C#N)c(N2C[C@H](C)CC(C)(C)C2)c1 541596645 CGIKJEXVYATZMU-GFCCVEGCSA-N 270.376 3.633 30 20 CHED CC#CCCNC(=O)c1oc2ccccc2c1COC(C)C 541745521 CHROQALBSJBFRC-UHFFFAOYSA-N 299.370 3.501 30 20 CHED Cc1cccc([C@@H]2CCN(c3nc(C)ccc3C#N)C2)c1 542275809 ACJYABMBGMLFSA-QGZVFWFLSA-N 277.371 3.564 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(C#N)c1 542528929 ZXJWRLXDQPAABW-HZMBPMFUSA-N 276.767 3.520 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN2CCC(CC#N)CC2)o1 542851739 ZCZJRHVPCTVBJR-WFASDCNBSA-N 258.365 3.529 30 20 CHED CC(C)C[C@H](C(=O)N1CCC(CC#N)CC1)c1ccccc1 543833438 LWSPUEXNYGFAOS-SFHVURJKSA-N 298.430 3.969 30 20 CHED C[C@H](CCc1cccc(F)c1)N1CCC(CC#N)CC1 543996008 IHRUZQOGTCGFTG-CQSZACIVSA-N 274.383 3.772 30 20 CHED COc1cc(C#N)cc(OCc2ccc(C(C)C)nc2C)c1 555053653 RCWNWCJCHZLZSY-UHFFFAOYSA-N 296.370 3.973 30 20 CHED C=CCOc1ccc(OCc2cc(C#N)ccc2OC)cc1 560742377 CBBNXHUWABNGRI-UHFFFAOYSA-N 295.338 3.711 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C2)C1 561134100 FRXOIPKCMKGYEC-GJZGRUSLSA-N 285.387 3.514 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@H](C)CN(C)Cc1ccccc1 564148054 LNLVUHGVSYEDFJ-ZACQAIPSSA-N 274.452 3.697 30 20 CHED CCCC[C@@H](C)N(C)C(=O)CSc1ccc(C#N)cc1 565336374 JRNAZLJPQGCFLX-CYBMUJFWSA-N 290.432 3.687 30 20 CHED CC[C@H](CC#N)NCc1csc(Cc2ccccc2)n1 566429506 UHYGYOAANDQIBE-CQSZACIVSA-N 285.416 3.516 30 20 CHED C=CCC[C@@H](NCCc1cccc(C#N)c1)c1ccco1 569717309 HOKITZRHOLRQAT-QGZVFWFLSA-N 280.371 3.991 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CCC#N)CC2)CC1 572597330 HCUBQPBIFJIVFU-GDBMZVCRSA-N 291.439 3.681 30 20 CHED Cc1ccccc1[C@H](NC(=O)NCC1(C#N)CC1)C(C)(C)C 575240553 SOISGWXDSUTDNE-HNNXBMFYSA-N 299.418 3.685 30 20 CHED Cc1cn(CCSCc2ccccc2)cc1C#N 575982928 BLSGIKXWUINZRS-UHFFFAOYSA-N 256.374 3.602 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)c2ccccc2)cc1 576145762 YNMYYBRNHYAFFZ-KSSFIOAISA-N 292.382 3.734 30 20 CHED N#CC1(CNCc2ccc(-c3cccc(F)c3)s2)CC1 577168024 IHSURPCTZJHKEZ-UHFFFAOYSA-N 286.375 3.948 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCCC2(C)C)cc1 581335385 JPRUGABJYKEZEV-CVEARBPZSA-N 284.403 3.756 30 20 CHED CCCC[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(C#N)c1 589642270 KRRMOZSXMBKUKQ-UONOGXRCSA-N 287.407 3.839 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)c1ccc(CC)cc1 589898531 AUPCUXNKDXQWOR-CQSZACIVSA-N 259.393 3.777 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N[C@H](C2CCC2)C2CC2)cc1 590892882 ZDDCTWMHNHSLCC-QGZVFWFLSA-N 296.414 3.796 30 20 CHED CO[C@](C)(C1CC1)[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 591247026 SLEIKAXHISXKKC-VMDGZTHMSA-N 298.430 3.729 30 20 CHED CCC(C)(C)N(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 591334238 RWXKMGAYPCTGAD-INIZCTEOSA-N 299.418 3.766 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)CCC(F)(F)C2 592442106 JGUKCSSWNOROLR-UHFFFAOYSA-N 258.271 3.539 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@H](C)c1ccc(Cl)cc1 593096299 NWZDZSIAOMUIGI-MLGOLLRUSA-N 292.810 3.888 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 593410933 HDPDAYOTTWZDOO-LBPRGKRZSA-N 299.399 3.915 30 20 CHED CC[C@@H](C#N)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 593446202 NEBYGWZLARWBCJ-GUYCJALGSA-N 282.387 3.605 30 20 CHED CC(C)(C#N)C(=O)NCCCc1c(Cl)cccc1Cl 594111564 MIQIUVRSSVZUBC-UHFFFAOYSA-N 299.201 3.592 30 20 CHED Cc1nnc(S[C@@H](C#N)c2ccccc2)n1C(C)C 594894214 HZKBMYHJIAZXEV-ZDUSSCGKSA-N 272.377 3.524 30 20 CHED CC[C@@H](N[C@H](C#N)c1ccccc1)c1c(C)noc1C 595429579 GLENCBSOVVXCAQ-HUUCEWRRSA-N 269.348 3.597 30 20 CHED C=CCCSCCNc1ccc(C(C)=O)cc1[N+](=O)[O-] 596413914 ZPUYJMDQHVHZDM-UHFFFAOYSA-N 294.376 3.519 30 20 CHED N#CC1(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)CCCCC1 597035027 XXUXPIOCFJSRTB-FICVDOATSA-N 274.408 3.545 30 20 CHED CS[C@@H]1CCCCN(C(=O)CC2(C#N)CCCCC2)C1 597414235 KMDGFMPNZBPZHD-CQSZACIVSA-N 294.464 3.595 30 20 CHED Cc1cc(Cl)c(C(=O)N2CCC[C@H](CC#N)C2)cc1C 597907290 ZJAMVWIPCYMYNC-CYBMUJFWSA-N 290.794 3.723 30 20 CHED CC1(C)C[C@]1(CNC(=O)CCCCCC#N)c1ccccc1 598570905 LMBLRLGHYCZHTQ-IBGZPJMESA-N 298.430 3.945 30 20 CHED C=CCN(C(=O)CC1(C#N)CCCCC1)C(C)(C)C 598873321 YSHCQABDCZRUCF-UHFFFAOYSA-N 262.397 3.664 30 20 CHED CC(C)c1cnc(Sc2ccc(Cl)c(C#N)n2)[nH]1 599152098 OSTZFAWRFCFPDZ-UHFFFAOYSA-N 278.768 3.604 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc(-c2ccccc2)oc1C 599232601 BYZGBYBBYVIQOT-KRWDZBQOSA-N 282.343 3.677 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2c(C)cccc21 600850325 XMGBDYKICWUBPY-UHFFFAOYSA-N 262.356 3.738 30 20 CHED N#Cc1cc(F)cc(NCc2cccc(OC(F)F)c2)c1 600855432 CXVUXUJTPJXWHY-UHFFFAOYSA-N 292.260 3.911 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@@H](C)CCC#N)CC3 602588059 KOFGPHJKPYILNX-LSDHHAIUSA-N 295.430 3.863 30 20 CHED C=CC[C@H](C)NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 604881087 RZGYAZOENANORH-YHUYYLMFSA-N 281.440 3.545 30 20 CHED C=CCCCCCN(C)C(=O)NCC(C1CC1)C1CC1 608724679 FPSQGPCVORDHTI-UHFFFAOYSA-N 278.440 3.810 30 20 CHED Cc1ccc2c(c1)N(Cc1ccccc1C#N)CCC2 609540851 UNQWWKQGGHVBND-UHFFFAOYSA-N 262.356 3.820 30 20 CHED COCCCCCSc1nc2c(c(C)c1C#N)CCC2 609721984 MYAPXJZQHXOBJK-UHFFFAOYSA-N 290.432 3.659 30 20 CHED C[C@H](C#N)C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 609920164 OZQVWPQZBMHLRX-CJNGLKHVSA-N 284.403 3.807 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N(C)C[C@@H](C)C#N)cc1 609987102 AQPXVPPIUVYWMD-LSDHHAIUSA-N 286.419 3.922 30 20 CHED CN(C(=O)C1(C#N)CCCC1)[C@H]1CCCc2ccccc21 610420727 CLRNXQBKRNZMLU-INIZCTEOSA-N 282.387 3.606 30 20 CHED N#Cc1c[nH]c(C(=O)N2Cc3ccccc3-c3ccccc32)c1 610498651 HVLXRXFARPZRAH-UHFFFAOYSA-N 299.333 3.714 30 20 CHED C[C@H]1CCc2c(sc(NC(=O)CC3(C)CC3)c2C#N)C1 617441496 JNKFSUIKRPRXRF-JTQLQIEISA-N 288.416 3.873 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 617776751 AKWGXDYUXGHADL-BHYGNILZSA-N 299.414 3.613 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 617776752 AKWGXDYUXGHADL-HYVNUMGLSA-N 299.414 3.613 30 20 CHED C[C@@H](NC(=O)N(CC1CC1)C1CCC1)c1cccc(C#N)c1 619428675 RTWTVNLIWIISQO-CYBMUJFWSA-N 297.402 3.593 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccsc1C 640468519 QBFUKDLUJMRTRM-UHFFFAOYSA-N 252.383 3.780 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)NCC#Cc1ccccc1 642106480 CGMQOCKQWXWSHZ-MRXNPFEDSA-N 286.419 3.552 30 20 CHED C=CC[C@@H]1CCCN(c2cc(C(F)(F)F)nc(C)n2)C1 664254316 UJSMIDDSGDRULS-LLVKDONJSA-N 285.313 3.596 30 20 CHED C=CCC1(NC(=O)Nc2c(C)noc2CC)CCCC1 666460830 QVTOCAKXWHQICP-UHFFFAOYSA-N 277.368 3.556 30 20 CHED CC#CCN(C)C(=O)Nc1cc(SC)ccc1Cl 667463454 NWNNUAANSLXSEW-UHFFFAOYSA-N 282.796 3.549 30 20 CHED CCC#C[C@H](C)Sc1nnc(-c2ccccc2)o1 677130860 IMOOLPVNAATYJN-NSHDSACASA-N 258.346 3.631 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 681162590 DSTDCTMKHNJPDA-VXGBXAGGSA-N 292.345 3.715 30 20 CHED C=CCC[C@H](NC(=O)c1coc(C2CC2)n1)c1ccccc1 681602070 SKBATGPZGZQSQW-HNNXBMFYSA-N 296.370 3.989 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccc(C)o3)no2)cc1 683590713 VUMYBMOCZMCYNG-UHFFFAOYSA-N 282.299 3.870 30 20 CHED C=CCC1(C(=O)Nc2ncc(-c3ccccc3)cn2)CCC1 684645176 LBMNGHCNZGIXAI-UHFFFAOYSA-N 293.370 3.829 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(-n2cccn2)cc1C 685013155 OHQVGBQAVAAYEG-AWEZNQCLSA-N 298.390 3.657 30 20 CHED C=CCC1(NC[C@H](O)c2ccc(Cl)cc2)CCCC1 690798911 LUVPFMRPTJLUGV-HNNXBMFYSA-N 279.811 3.852 30 20 CHED C[C@H](COCc1ccccc1)COc1ccc(C#N)c(F)c1 719151627 FQYXURAKYFBJLW-CQSZACIVSA-N 299.345 3.929 30 20 CHED CC(=NNCc1cc(F)ccc1F)c1sc(C)nc1C 726737125 JQCSKEKLRYQNLR-UHFFFAOYSA-N 295.358 3.552 30 20 CHED CCCCCCCC(=O)NCc1c(C)cc(C)nc1OC 727413607 HYPQBIIHTUIBQQ-UHFFFAOYSA-N 292.423 3.684 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H]2[C@@H](C)CCC[C@H]2C)cc1 728711987 QPCNFUIMXULTMM-JTOWHCCKSA-N 286.419 3.892 30 20 CHED C=CCCOC(=O)[C@H](OC1CCCC1)c1ccccc1 729074146 DMVXHFLDFYHFPF-MRXNPFEDSA-N 274.360 3.806 30 20 CHED CCC(=NN=c1cc[nH]c2ccccc12)c1ccccc1 730147929 KXNPJJRWOWSOIG-UHFFFAOYSA-N 275.355 3.883 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=S)NC1CC1 731322071 UCCFWLWMGXEKSX-SNVBAGLBSA-N 291.445 3.530 30 20 CHED C=CCC(=NNc1ccc(C(=O)O)cc1)c1ccc(F)cc1 735609018 KLJVOPHOJWYGKP-UHFFFAOYSA-N 298.317 3.916 30 20 CHED CC[C@@H](C)OC(=O)c1occc1COc1cccc(C#N)c1 738646711 ZYDPAFQWUGYLSR-GFCCVEGCSA-N 299.326 3.686 30 20 CHED C=CCN(C(=O)Nc1ccc(-c2cc[nH]n2)cc1)C(C)C 741068245 MZKFARXARYYLGI-UHFFFAOYSA-N 284.363 3.505 30 20 CHED CC[C@H](OC(=O)c1cccc(C#N)c1)c1cccc(OC)c1 741133016 IXKVQZZKSHAEHE-KRWDZBQOSA-N 295.338 3.875 30 20 CHED CCO[C@@H]1CC(=NNc2c(F)cccc2F)C12CCC2 741164516 OLHCWEAUJHWCBN-CYBMUJFWSA-N 280.318 3.712 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc3ccccc3n2)c1 741461555 JZZYTAHXWLZLIP-UHFFFAOYSA-N 283.281 3.959 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1ccc2c(c1)COC2 742436245 HVXBYGODYUBAFU-UTCJRWHESA-N 286.277 3.891 30 20 CHED CC(=NN=C1CCCC[C@@H]1c1ccccc1)c1cnccn1 745203118 DMFSRJASABMZIK-MRXNPFEDSA-N 292.386 3.999 30 20 CHED Clc1cc(Cl)cc(C=NOCc2cccnc2)c1 746587939 GVDMFEZASAJEQI-UHFFFAOYSA-N 281.142 3.939 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 746806951 JYWZBCIEJGRUKA-HUUCEWRRSA-N 292.382 3.982 30 20 CHED CC(=NNC(=S)Nc1ccc(C)c(C)c1)C1CCC1 747627978 PBYMICVHDLXCRV-UHFFFAOYSA-N 275.421 3.766 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1cnnc2ccccc12 747750536 VGVNRFYOKMDSQQ-LBPRGKRZSA-N 268.364 3.854 30 20 CHED N#Cc1c(CON=Cc2cccc(F)c2)cn2ccccc12 747827308 KFKLHMUGXDUXIW-UHFFFAOYSA-N 293.301 3.501 30 20 CHED CC(=NNc1ncnc2sccc12)c1ccsc1 749098688 GEWWCGZQFFRVCM-UHFFFAOYSA-N 274.374 3.589 30 20 CHED C=C(Cl)COC(=O)c1ccc(-c2ccc(F)cc2)n1C 749327725 OPINQDGGYGMBQE-UHFFFAOYSA-N 293.725 3.741 30 20 CHED CCCCCCCOC(=O)c1cc(-c2ccccn2)no1 750954179 JKVUKYJDNWXTHF-UHFFFAOYSA-N 288.347 3.864 30 20 CHED C=CCc1ccc(OC(=O)C2(CC)CCC2)c(OC)c1 751217032 PBSPGHZPYJTKQF-UHFFFAOYSA-N 274.360 3.909 30 20 CHED Cc1ccc(NN=Cc2cnn(-c3ccccc3)c2)cc1 751342508 NCDWRZZUAVLFOZ-UHFFFAOYSA-N 276.343 3.627 30 20 CHED C=CCC[C@H](NCc1ccnc(N(C)C)c1)c1ccccc1 754168555 YPXMJNWMAZBNSQ-SFHVURJKSA-N 295.430 3.945 30 20 CHED Cc1cc(C#N)ccc1OC[C@@H](O)c1cccc(Cl)c1 755328573 HGXDMVJLGZEIDB-OAHLLOKOSA-N 287.746 3.633 30 20 CHED C(=Nn1cnc2ccccc21)[C@@H]1C[C@H]1c1ccccc1 755611846 KCKQVTCAASXSQY-GJZGRUSLSA-N 261.328 3.674 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Nc1cc(C#N)ccc1O 755621794 CTEBQKSYXDBLRE-NSHDSACASA-N 274.364 3.665 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NNc2cccc(F)c2)c1 755662860 RFEBCLXGUBAMDD-UHFFFAOYSA-N 294.333 3.970 30 20 CHED C#CC[C@@H](NC(=S)Nc1ccccc1)c1ccccc1 756856106 LBLXTZPQIUVQJG-MRXNPFEDSA-N 280.396 3.738 30 20 CHED N#Cc1cc(Cl)ccc1N1CCc2c(F)cccc2C1 756958406 CBNIPHDAQBKNGE-UHFFFAOYSA-N 286.737 3.913 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1C 757471588 GRYXFLGNRJQZEM-RMKNXTFCSA-N 268.312 3.611 30 20 CHED CC(CC1CCC1)=NNc1cnnc2ccccc12 758370719 QWSKPXSCHFWWPP-UHFFFAOYSA-N 254.337 3.608 30 20 CHED C=CCN(C(=O)NCC1(CCC)CCC1)C(C)C 758899795 WTLHJPZNMSQNCT-UHFFFAOYSA-N 252.402 3.563 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCc1ccc(F)c(C#N)c1 758947816 UKDSDHNXNIBCRV-GFCCVEGCSA-N 277.339 3.813 30 20 CHED CCCCCC[C@H](CC)C(=O)Nc1ncc(C#N)s1 759634621 UUOPMPUHMFUDQD-NSHDSACASA-N 279.409 3.950 30 20 CHED CC(=NNc1cnn(C)c1)c1ccc(-c2ccccc2)cc1 761886310 YRQIGFBJZKEKHG-UHFFFAOYSA-N 290.370 3.923 30 20 CHED COc1ccc(C(C)=NNc2ccc(F)cc2OC)cc1 761891234 XLRIMFIYBAQCKL-UHFFFAOYSA-N 288.322 3.679 30 20 CHED CCCCCCCCOCc1nc([C@H]2CCCO2)no1 762243775 LGJOMWGUNVXSBJ-CYBMUJFWSA-N 282.384 3.798 30 20 CHED N#Cc1cccc(NN=Cc2ccc3ncccc3c2)c1 767335891 HYWMATJEOVOMQZ-UHFFFAOYSA-N 272.311 3.552 30 20 CHED CC[C@@H]1CCCC(=NNc2cc(C#N)cc(Cl)n2)C1 768381176 DZIOFBDZEKEREV-SNVBAGLBSA-N 276.771 3.975 30 20 CHED C=CCCCCNC(=S)Nc1cc(OC)ccc1Cl 769759853 HPVUFCWFGPTUSM-UHFFFAOYSA-N 298.839 3.991 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(-c2ccsc2)cc1 769977503 GSTIKUVICKLTKX-ZDUSSCGKSA-N 255.386 3.869 30 20 CHED C=CCCC(=O)OCc1ccc(C(=O)OC(C)(C)C)cc1 772270484 ZDHHVWJQFNEXAP-UHFFFAOYSA-N 290.359 3.651 30 20 CHED C=C(Cl)CN[C@@H](CCC)c1ccc(OC)cc1 773005821 UJCOFJCIXSPRRI-AWEZNQCLSA-N 253.773 3.879 30 20 CHED N#Cc1cc(Cl)ccc1CSc1ccc(Cl)nn1 775178403 WLRNQLXMVUTFBW-UHFFFAOYSA-N 296.182 3.947 30 20 CHED C=CCN(Cc1cc(Cl)cc(F)c1O)C(C)C 775657192 XNPLPYKWUILDEF-UHFFFAOYSA-N 257.736 3.581 30 20 CHED C=C[C@@H](CC)OC(=O)Cc1c[nH]c2cc(Cl)ccc12 776104055 DCWVUBKOLNDVRZ-LBPRGKRZSA-N 277.751 3.872 30 20 CHED C=CCCC[C@H](C)NC(=O)c1sc(NC2CC2)nc1C 776251324 APLCXLSHRNNLDB-JTQLQIEISA-N 293.436 3.500 30 20 CHED CCCC1CCC(NC(=O)Cc2ccccc2CC#N)CC1 776841249 QOZXZROVDFARJY-UHFFFAOYSA-N 298.430 3.770 30 20 CHED CCc1nc2c(s1)C(=NOCCC(F)(F)F)CCC2 777455952 PXEHWKFNYRMCKB-UHFFFAOYSA-N 292.326 3.715 30 20 CHED C#CCCCCCC(=O)NCc1ccccc1OC(C)C 779858880 CTGWQFZEBNZMGH-UHFFFAOYSA-N 287.403 3.674 30 20 CHED CC/C(C)=C(/C)C(=O)N(C)c1cc(Cl)ccc1C#N 779981291 MDKZRQXUVQLMMV-KHPPLWFESA-N 276.767 3.921 30 20 CHED CCC/C(C)=C\C(=O)Nc1ccccc1O[C@@H](C)C#N 780154303 PHYHKCVVKDBPKQ-UKVQZPPCSA-N 272.348 3.662 30 20 CHED CC1(C)CCC[C@H]1NN=CC1=Cc2ccccc2OC1 782298524 BEKVNUGXICNCBU-MRXNPFEDSA-N 270.376 3.617 30 20 CHED CCOc1cccc(C(=O)OCCCC(C)(C)C#N)c1 783091668 APXLHONBLIHWFK-UHFFFAOYSA-N 275.348 3.572 30 20 CHED CC(C)C[C@@H](C)C[C@@H](C)NCc1ccc(C#N)cn1 783301716 ZXJBHEGNJUJTIC-ZIAGYGMSSA-N 259.397 3.504 30 20 CHED COc1cc(C)sc1C(=O)OCCCC(C)(C)C#N 783675148 WBMWQMCFOOSGCL-UHFFFAOYSA-N 281.377 3.552 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)[C@@H]1CCCO1 783868002 ZBUBSFOXXLQGRF-HNNXBMFYSA-N 260.381 3.951 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)OCCCC(C)(C)C#N 784755754 RYSMMIMBWRYNCG-OLZOCXBDSA-N 251.370 3.686 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cc(C)ns1 785457410 LYQDKUWBLZAATA-LLVKDONJSA-N 253.415 3.734 30 20 CHED CC[C@@H](C)NN=Cc1cc(C)c(OC(F)F)c(C)c1 790181323 CTTIXPDDMRVWQF-LLVKDONJSA-N 270.323 3.627 30 20 CHED Cc1cccnc1NN=Cc1cnc(C2CCCC2)s1 790187060 SQLJNKBNXLQCAW-UHFFFAOYSA-N 286.404 3.950 30 20 CHED C[C@@H](NN=C1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 790286808 GEBOTPIXOCFZFW-GDBMZVCRSA-N 296.418 3.785 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CCC)Cc1ccc(C)cc1 791068645 YIKBBCVFPOXDTP-KRWDZBQOSA-N 286.419 3.719 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H]1COC2(CCCC2)O1 793548730 UVOGVAKAYQFBGW-CVEARBPZSA-N 281.440 3.787 30 20 CHED C=CCCCCCCCCNC(=O)c1ccc(C#N)o1 794511187 QQKCVSQESQTARX-UHFFFAOYSA-N 274.364 3.798 30 20 CHED CSCc1ccc(C/N=C\c2cccc(O)c2O)cc1 794676278 LDTHUZTXEBRZPA-YVLHZVERSA-N 287.384 3.580 30 20 CHED O=C(/C=C/c1ccc(C(F)F)cc1)c1cc(O)cc(O)c1 794947321 WTDQNFGYLJIIHA-ZZXKWVIFSA-N 290.265 3.932 30 20 CHED COCCCON=C1CCc2c1ccc(Cl)c2Cl 795048648 OEQAFSVIHFAISE-UHFFFAOYSA-N 288.174 3.697 30 20 CHED CCCCCOC(=O)c1ccc(C(C)(C)C#N)cc1 796039107 COMNJQITIWZCKS-UHFFFAOYSA-N 259.349 3.835 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@H](F)CC1CCCCC1 796773882 FDRHYJDXQXHUOF-CQSZACIVSA-N 292.329 3.944 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@@H]1Cc2ccc(F)cc21 799441344 UZGQNVLNZDKOOF-MRXNPFEDSA-N 295.313 3.505 30 20 CHED C#C[C@H](C)NC(=O)c1ccccc1Oc1cccc(C)c1 799722989 XHVVXINABYXPHA-AWEZNQCLSA-N 279.339 3.539 30 20 CHED CC(C)CCC(=NN[C@H]1CCOC(C)(C)C1)C1CC1 802711921 DKDHYBUALSEDSN-AWEZNQCLSA-N 266.429 3.736 30 20 CHED C#C[C@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1F 804418594 QRLUWJFEIQPYIN-ZDUSSCGKSA-N 293.750 3.645 30 20 CHED C[C@H](Cc1ccccc1Cl)NC(=O)CCCCCC#N 805164545 PTGFEZCQKGDZRN-CYBMUJFWSA-N 292.810 3.861 30 20 CHED CN(CCCCC(C)(C)C#N)CC(F)(F)Br 805837405 GHDLDVLWWZGKLZ-UHFFFAOYSA-N 297.187 3.626 30 20 CHED C=C(Cl)COC(=O)c1ccccc1SCC 806021902 ODWQFORYGLIYLD-UHFFFAOYSA-N 256.754 3.708 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cc(F)cc(F)c1O 806178325 RZXVGYVWXIWGPZ-JTQLQIEISA-N 282.334 3.651 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)Cc1cccc(Cl)c1)C(C)(C)C 807884788 XKHWRUKLOGJNTG-SWLSCSKDSA-N 291.822 3.683 30 20 CHED CC1(C)[C@@H]2C[C@@H]1CC=C2COC(=O)CCCCCC#N 807927559 ODWQTYWFVTUACH-LSDHHAIUSA-N 275.392 3.996 30 20 CHED CSc1ccc2c(c1)CCCC2=NN[C@H]1CCSC1 808000248 HTWPOQLCPJZNRZ-LBPRGKRZSA-N 292.473 3.544 30 20 CHED C#C[C@@H](CC)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 809686072 LENPWMCFPFQZME-RISCZKNCSA-N 269.310 3.638 30 20 CHED C#C[C@H](C)NC(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 812040212 ONUHYVOGRRCEAB-LRDDRELGSA-N 298.386 3.759 30 20 CHED CCOC(=O)c1ccc(NN=CCC(C)C)cc1C 812230149 UOXSOOABOTUJIA-UHFFFAOYSA-N 262.353 3.616 30 20 CHED C=CCCCCCCCNC(=O)NC1(C2CC2)CC1 812495068 IWAADXNYIZGCLA-UHFFFAOYSA-N 264.413 3.755 30 20 CHED Cc1nc(N2CCC[C@@H]2c2ccc(F)c(F)c2)ccc1C#N 813594902 SKIDDANBWYXLAX-MRXNPFEDSA-N 299.324 3.881 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1cccc2cc[nH]c12 814918915 HSQXBKRDAWZFSZ-UHFFFAOYSA-N 298.277 3.661 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@@H](CC)Cc1ccccc1 815697294 VJTHJUIGBFQAQK-AWEZNQCLSA-N 281.346 3.678 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 815707949 XOZTUVLOQRSVCU-CYBMUJFWSA-N 281.346 3.562 30 20 CHED C#Cc1cncc(C(=O)N(CCCC)[C@@H]2CCC[C@@H](C)C2)c1 818802374 NBPKEGABJWICGH-CRAIPNDOSA-N 298.430 3.884 30 20 CHED C#Cc1cncc(C(=O)N(CCCC)C2CCCCC2)c1 819347264 IXWRSIZZGXAZAT-UHFFFAOYSA-N 284.403 3.638 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CCCC[C@@H]1C)c1ccccn1 820007261 SMKOQBMYDYIOBF-DZKIICNBSA-N 271.360 3.516 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](CC)CC(F)(F)F)c1 823084571 VZVZUBNIJYAWBV-LBPRGKRZSA-N 283.293 3.609 30 20 CHED C[C@H]1CC[C@H](C)C(=NNc2nc(O)c3ccccc3n2)C1 834961988 SYFMQGSOKUHXOH-QWRGUYRKSA-N 284.363 3.559 30 20 CHED CC(CCCc1cccnc1)=NNc1ncccc1C 834974398 BPLZZTQGEJVECO-UHFFFAOYSA-N 268.364 3.596 30 20 CHED CSc1ccc(C(C)=NN[C@H](C)C(F)(F)F)cc1 834995648 JFDMLGBRJKSHRA-SECBINFHSA-N 276.327 3.673 30 20 CHED COC(=O)c1cc(NN=C2CCC(C)(C)C2)ccc1F 835012472 UEYVQNHPCFZFAE-UHFFFAOYSA-N 278.327 3.590 30 20 CHED CC(C)c1ncsc1C(=O)OCC(C)(C)CCC#N 835386591 LPYXQQQLMLZWQP-UHFFFAOYSA-N 280.393 3.753 30 20 CHED C=C(CC)CNC(=O)c1ccc(C2SCCS2)cc1 837101366 VFRKXMWLQJQQOW-UHFFFAOYSA-N 293.457 3.861 30 20 CHED CN(Cc1ccccc1C(F)(F)F)C(=O)C#CC(C)(C)C 837324315 DBDZCFSXNPQKKU-UHFFFAOYSA-N 297.320 3.713 30 20 CHED C[C@H]1CCN(C(=O)C#CC(C)(C)C)[C@@H](c2ccco2)C1 837449820 VFOPFLLICIPMLV-UONOGXRCSA-N 273.376 3.629 30 20 CHED C[C@@H](NC(=O)C#CC1CC1)c1ccc(F)c2ccccc12 837656024 LPALKAPLRARMHS-GFCCVEGCSA-N 281.330 3.570 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2cnccn2)CCCCC1 838153804 LYPJVJZQMFHZGR-ZDUSSCGKSA-N 274.364 3.607 30 20 CHED Cc1cccc2[nH]cc(CC(=O)O[C@@H]3CCC[C@@H](C#N)C3)c12 839055580 YJJPYHGWUNIDKA-UKRRQHHQSA-N 296.370 3.644 30 20 CHED Cc1cccc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)c1 840713669 PTMPWMJPIKIXMK-HJWRWDBZSA-N 280.371 3.979 30 20 CHED CCCC[C@H](CC)C(=O)Nc1nc(Cl)c(C#N)s1 841227153 ZCNHYUXSBGVTBO-QMMMGPOBSA-N 285.800 3.823 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cc(C)nn2C)cc1 841486908 FXPKGILZIAVOCF-ZHACJKMWSA-N 268.360 3.577 30 20 CHED CCC(=NNc1oc(CC(C)C)nc1C#N)[C@@H]1C[C@@H]1C 841621854 OEGIRYVAGNBPEU-WDEREUQCSA-N 274.368 3.579 30 20 CHED Fc1cc(Br)cc(CON=C2CCC2)c1 842030494 CIVKPZIXAMVCBU-UHFFFAOYSA-N 272.117 3.645 30 20 CHED C#CCCCCNC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 842180085 JGRAGMMZBJLDNN-CABCVRRESA-N 278.440 3.646 30 20 CHED CCC[C@@H](C)C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842940266 AKXNJNHABJBZRS-KOLCDFICSA-N 262.378 3.633 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)C1CCCCC1 848414868 FIIKYQOJHNHJOR-UHFFFAOYSA-N 274.364 3.682 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1c(C)noc1C)C2=O 848642876 LZIQWZRDRYYHTG-RIYZIHGNSA-N 267.328 3.731 30 20 CHED C=C(Cl)C[S@](=O)[C@H](C)c1ccc(Cl)cc1 849222469 BBXKWKJCYCTPII-PSLIRLAXSA-N 263.189 3.902 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1ccc(OCC#N)cc1 850444832 ZOBZRXPTGFGFJL-FUHWJXTLSA-N 284.403 3.813 30 20 CHED CC1(C)C(=NNc2ncnc3sccc23)[C@H]2CCC[C@H]21 853281392 SIFDVOLLDCOQAF-GXSJLCMTSA-N 286.404 3.915 30 20 CHED Cc1ncc(C=NN[C@H](C)c2ccc(C(C)C)cc2)n1C 853294350 MSVSGPCNWNEMPV-CYBMUJFWSA-N 284.407 3.537 30 20 CHED C=CC[C@H]1CCCCC1=NNc1nc(-c2ccncc2)no1 853299597 TZHGVQSEOUAPRS-LBPRGKRZSA-N 297.362 3.666 30 20 CHED C#CC1CCC(=NNc2ccc(C#N)c(Cl)c2)CC1 853332011 CPZMRIBIRASGSM-UHFFFAOYSA-N 271.751 3.803 30 20 CHED C[C@@H]1CC(=NNc2nc3ccc(Cl)cc3s2)CO1 853438625 IGIIYSGADNGCRE-SSDOTTSWSA-N 281.768 3.526 30 20 CHED N#CC[C@H]1CCCN(C(=O)/C(F)=C/C2CCCCC2)C1 855256558 OAIIEUGNYHCODC-ADVGAGMGSA-N 278.371 3.572 30 20 CHED Clc1cnc(NN=C2CCC(=C3CCC3)CC2)nc1 857220150 CQCMTWIBGDTBHF-UHFFFAOYSA-N 276.771 3.952 30 20 CHED Cc1cc(C)cc(NN=Cc2cnc(C3CC3)o2)c1 863072941 CNNVKVCKKNKXTE-UHFFFAOYSA-N 255.321 3.615 30 20 CHED CCCCCCCN[C@@H](Cc1ccccc1)[C@H](C)N 863540007 PKWDGJUPKVCDDW-RDJZCZTQSA-N 262.441 3.505 30 20 CHED CC(C[C@H]1CCOC1)=NNc1nc2c(C)cccc2s1 872419249 BGKQMKPSCWNDNV-GFCCVEGCSA-N 289.404 3.819 30 20 CHED C=CCCN(C)c1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882240108 UOWYAVLKENOJPL-LJQANCHMSA-N 292.326 3.624 30 20 CHED C=C1CCC(C(=O)N[C@H](C)Cc2ccsc2)CC1 888359958 UZKCQRJMKSVUEX-GFCCVEGCSA-N 263.406 3.542 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(Br)nc1 893406124 ITIBFZLMLPHREO-VIFPVBQESA-N 282.185 3.584 30 20 CHED C=C1CCC(c2nc(-c3ccc4cc[nH]c4n3)no2)CC1 896242787 TZJPTIJLMXJUPJ-UHFFFAOYSA-N 280.331 3.827 30 20 CHED C=C1CCC(C(=O)Nc2cnn([C@@H](C)CC)c2C)CC1 897551598 CXJMURMVRXCLGT-LBPRGKRZSA-N 275.396 3.847 30 20 CHED COc1cc(CSCCCCC2(C#N)CCC2)on1 901767450 MRDWQZJJFKKMPZ-UHFFFAOYSA-N 280.393 3.781 30 20 CHED CC(C)c1nn(C)cc1NCc1ccc(Cl)cc1C#N 902206471 QKIMMASSABOCHQ-UHFFFAOYSA-N 288.782 3.681 30 20 CHED CC[C@@H](NCC[C@@H](O)C1CCCC1)c1cccc(C#N)c1 903084560 FLJLMPLSZGPJNY-QZTJIDSGSA-N 286.419 3.540 30 20 CHED CC(=NNc1nccc2sccc12)c1ccc(O)cc1 915979075 CRNJVVABEDLVOZ-UHFFFAOYSA-N 283.356 3.838 30 20 CHED CC(=O)Nc1ccc(C=NNc2ccccc2Cl)cc1 916262512 OIQJSDDIRGFWAG-UHFFFAOYSA-N 287.750 3.744 30 20 CHED COc1ccc(C=NNc2cccc(Cl)c2)cc1 916269405 MCYLELWWXRMZEZ-UHFFFAOYSA-N 260.724 3.795 30 20 CHED C=C(Cl)COC(=O)c1oc2ccccc2c1C 916609932 FXABCGCWQNHGAU-UHFFFAOYSA-N 250.681 3.651 30 20 CHED Oc1cccc(/C=N/Cc2ccc(-c3ccccc3)o2)c1O 917557775 VFFZWMTYMITTGX-YBFXNURJSA-N 293.322 3.977 30 20 CHED CCCCCCCOC(=O)[C@@H]1CCCN(C(=O)CCC)C1 918493905 KCMNCQNBIJDTQG-OAHLLOKOSA-N 297.439 3.539 30 20 CHED CCOc1ccccc1C=NOCc1csc(CC)n1 920399240 OLACGECKHYVSIU-UHFFFAOYSA-N 290.388 3.655 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]1CN1CCCC1 921208241 ZLTCQJXRDIOATJ-QGZVFWFLSA-N 294.483 3.824 30 20 CHED COc1ccc(C[C@H](C)CN[C@@H](C)CC(C)(C)C#N)cc1 925640495 IGEFVGONKVELSG-GJZGRUSLSA-N 288.435 3.792 30 20 CHED CN(CCCCC1(C#N)CCC1)Cc1ccccc1 929213300 XUUIKCMWGPJOEF-UHFFFAOYSA-N 256.393 3.983 30 20 CHED C[C@H](C(=O)Oc1ccc(C#N)cc1)c1ccc(F)c(F)c1 1116122567 AGSRTPWJWLLKOD-JTQLQIEISA-N 287.265 3.546 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(OCC#N)c1 1116461844 ZDRQVUGWGFGCAB-IBGZPJMESA-N 292.382 3.675 30 20 CHED CCCCCCCCCN[C@@H](C)c1noc(C)n1 1116771496 RPNJOHAQCQXLAL-LBPRGKRZSA-N 253.390 3.779 30 20 CHED Cc1ccc(C#N)c(Nc2cccc(CN3CCCC3)c2)n1 1117243612 HVMLIVZSUITJGB-UHFFFAOYSA-N 292.386 3.601 30 20 CHED CC[C@@H](C#N)OC(=O)c1cc(Br)cc(C)c1C 1118479742 PRJUEPDYQMFAGR-NSHDSACASA-N 296.164 3.525 30 20 CHED C=CC[C@H](C(=O)O[C@H](C)CCCOC)c1ccccc1 1123324958 RNTUIBMOXVDAQO-ZBFHGGJFSA-N 276.376 3.705 30 20 CHED CCN(C(=O)c1ccc(C#N)cc1F)c1cccc(F)c1 1125322627 GRFUZSVAZTTZIA-UHFFFAOYSA-N 286.281 3.503 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc(F)c(F)c1C 1129793491 VZLFNLYQXRBIRP-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CC(C)Oc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 1148400188 SXTMMOLALYWRGV-UHFFFAOYSA-N 294.354 3.792 30 20 CHED N#Cc1ccc2c(c1)CCCN2C[C@@H]1CCC2(CCCC2)O1 1170661732 QALWUTVCXXSMDJ-KRWDZBQOSA-N 296.414 3.803 30 20 CHED CC(C)Oc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1 1184753621 BORPNZASMUEHMO-UHFFFAOYSA-N 295.342 3.989 30 20 CHED Cc1cccc2c1CC[C@H]2NCc1cccc(OCC#N)c1 1319895596 KHAMKUKZFFCXGO-LJQANCHMSA-N 292.382 3.675 30 20 CHED COc1cc(C=NNc2ccc(F)cc2C)ccc1F 1320165177 NJMQYRPNTKIEPV-UHFFFAOYSA-N 276.286 3.728 30 20 CHED Cn1ccc(NN=C(CC(C)(C)C)c2ccc(F)cc2)n1 1321013187 BOGAIEBZZITMAP-UHFFFAOYSA-N 288.370 3.812 30 20 CHED C#CCCCCc1nnc(-c2cc3c(s2)CCC3)o1 1326136184 IMVWQWQLDFPSBZ-UHFFFAOYSA-N 272.373 3.633 30 20 CHED Fc1ccc(CCC=NOCc2ccccc2)cc1 1327191487 RMVRWJGCVHRQEA-UHFFFAOYSA-N 257.308 3.961 30 20 CHED C=CCC1(C(=O)OCc2ccc(C(C)=O)cc2)CCC1 1328187211 KXBBPRKMNKTBRV-UHFFFAOYSA-N 272.344 3.679 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1cc(C)ccc1C 1328231842 AXYQYDGFGFHQCZ-UHFFFAOYSA-N 284.384 3.903 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1cc(F)ccc1OC 1332963003 DTRRESHLGXMPJN-NWDGAFQWSA-N 279.355 3.614 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C\c1cscc1Cl 1334242272 CNIVZDCKTFQNOR-IHWYPQMZSA-N 290.731 3.537 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1336496117 JYTFOURWKUXEGY-ZFWWWQNUSA-N 289.423 3.560 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1sc(Cl)nc1C 1339152214 HLMGHESPCMDTLG-JTQLQIEISA-N 284.812 3.676 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(c2cc(C#N)cc(Cl)n2)C1 1348084293 NSQBUDZTIDOUDP-FZMZJTMJSA-N 298.777 3.589 30 20 CHED Cn1c(Cl)cnc1CSCc1ccc(CC#N)cc1 1348861582 XDTFPPNYICYKCN-UHFFFAOYSA-N 291.807 3.573 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1cc(Cl)ccc1F 1435738634 QVVRELKBZPIUSB-QMMMGPOBSA-N 293.681 3.862 30 20 CHED CSc1cccc(COC(=O)c2ccc(C)c(C#N)c2)c1 1525112851 MMHNMKFHMRLMRL-UHFFFAOYSA-N 297.379 3.946 30 20 CHED COc1cccc([C@@H](C)C(=O)Nc2cccc(CC#N)c2)c1 1525933759 JXMOVHVWPWYKFL-CYBMUJFWSA-N 294.354 3.503 30 20 CHED Cc1ccc2snc(C(=O)Nc3sccc3C#N)c2c1 1529951821 VWYRTZKHXAYQJO-UHFFFAOYSA-N 299.380 3.790 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)CC(C)(C)C 1530315514 CKTNXHKKSNPSFY-HUUCEWRRSA-N 278.440 3.991 30 20 CHED C[C@@H]1[C@@H](CNCc2cccc(F)c2C#N)CCC[C@H]1C 1560786733 AMLYATWNILMOGZ-HZSPNIEDSA-N 274.383 3.859 30 20 CHED C#CCCCCCCN1CC[C@H](C(=O)O)[C@H]2CCCC[C@H]21 1588441762 KIYBTEDDYUXEDY-IXDOHACOSA-N 291.435 3.535 30 20 CHED C=C[C@@H](Nc1ccc(-c2ccccc2)c(C)c1)C(=O)O 1609272425 PVSLYBSGKZGMKK-MRXNPFEDSA-N 267.328 3.713 30 20 CHED C[C@H](c1nccc2ccccc12)N1CCC[C@](C)(C#N)C1 1621196756 MHTZPRJTTFJHPA-RDTXWAMCSA-N 279.387 3.921 30 20 CHED Cc1csc(-c2ccc(N=c3cc[nH]c(C#N)c3)cc2)n1 1639389291 FYZZEEFVBLRCMJ-UHFFFAOYSA-N 292.367 3.551 30 20 CHED CN(Cc1cc2ccccc2[nH]1)[C@H](C#N)c1ccccc1 1641952688 XCHVPVZOYPUTAK-GOSISDBHSA-N 275.355 3.865 30 20 CHED CCc1ccc2ccccc2c1CNc1cc(C#N)cnn1 1652209827 ULMLTLZOOPIVAT-UHFFFAOYSA-N 288.354 3.676 30 20 CHED N#Cc1nc(Nc2ccc3c(c2)CCCO3)sc1Cl 1655074789 QMWHOQBMYKRPSG-UHFFFAOYSA-N 291.763 3.737 30 20 CHED Cc1ccc(C[C@H](C)Nc2nccc(C)c2C#N)c(C)c1 1655132028 LAHBAZQUZUTDGD-HNNXBMFYSA-N 279.387 3.922 30 20 CHED CCCOc1ccc(CN(C)CC(C)(C)C#N)cc1C 1658178008 JKKMBEWWELOIEU-UHFFFAOYSA-N 274.408 3.765 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1 1664072030 JDPZVJJFWJHGMZ-YABSGUDNSA-N 289.354 3.644 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(C)C[C@H](C)CC 1749267397 RYUVRTIWCVLIRM-LLVKDONJSA-N 296.846 3.780 30 20 CHED O=C(O)c1cccc(NN=C2C[C@@H]3CC=CC[C@H]3C2)c1 1776038382 HSFMKPBLYHJQRU-RYUDHWBXSA-N 270.332 3.529 30 20 CHED C[C@H]1CCCCCC1=NNc1ccc(F)c(C(=O)O)c1 1776063775 HYZVWGDHOSCCEM-JTQLQIEISA-N 278.327 3.892 30 20 CHED Cc1ccc(Cl)cc1NN=C1CC[C@H](CC(=O)O)[C@H]1C 1776106535 KFFNWBCYNQAQEL-GHMZBOCLSA-N 294.782 3.937 30 20 CHED C=CCC[C@@H]1CCCN1Cc1cc(C(=O)O)sc1C 1776170723 NEKFBFHWOPNLEE-CYBMUJFWSA-N 279.405 3.685 30 20 CHED CCc1ccc(C(=O)O)cc1NCc1ccc(C#N)c(C)c1 1776966377 UTRSDGFPBGBDTM-UHFFFAOYSA-N 294.354 3.739 30 20 CHED CCc1ccc([C@@H](C/N=C/c2ccccc2O)N(C)C)cc1 5292409 BENDTXBPEMNUCP-JZQBQCRLSA-N 296.414 3.676 30 20 CHED Cc1nc(C(=O)Nc2cccc3ccccc23)ccc1C#N 31872834 MUDDXVDQHOYHNQ-UHFFFAOYSA-N 287.322 3.667 30 20 CHED COc1ccc([C@H](C)CC(=O)Nc2ccc(C#N)cc2)cc1 40643349 NHMRPKGZASCIJX-CYBMUJFWSA-N 294.354 3.699 30 20 CHED Cc1cccc(CCC(=O)[C@@H](C#N)c2nc(C)cs2)c1 41517717 QCLIQRPCLKQUFO-CQSZACIVSA-N 284.384 3.569 30 20 CHED CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 43329687 CPZWRXVBENYMHY-KRWDZBQOSA-N 291.354 3.709 30 20 CHED O=C(NCC1CC1)Nc1cccc(C#Cc2cccs2)c1 43996287 KFIADNDVIJJUSN-UHFFFAOYSA-N 296.395 3.679 30 20 CHED CCCC1CCC(NC(=O)C2(C#N)CCCC2)CC1 44379383 RYYCEILJNYBECN-UHFFFAOYSA-N 262.397 3.545 30 20 CHED C=C(C)CN(CC)C(=O)c1sccc1C(C)C 52986417 BPCJFFIPAFGUIR-UHFFFAOYSA-N 251.395 3.910 30 20 CHED C=C(C)COc1cc(CNCc2ccoc2)ccc1OC 57966324 QXGKETXBQILHFP-UHFFFAOYSA-N 287.359 3.533 30 20 CHED Cc1noc(C)c1CSCc1cccc(C#N)c1 58240033 OMNLJPFNTZVNCZ-UHFFFAOYSA-N 258.346 3.597 30 20 CHED CN(Cc1ccccc1)c1cc(Cl)ccc1C#N 62789821 GXOAHEBLLUMRRI-UHFFFAOYSA-N 256.736 3.848 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C 62904222 MOBPUYOWFUBMNE-UHFFFAOYSA-N 270.376 3.509 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cccs1 65775714 QKMIHZYDXXQXJV-UHFFFAOYSA-N 271.385 3.619 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(-c2ccsc2)nc1C 66645868 PCWNMMIZSHKEKM-CYBMUJFWSA-N 299.399 3.541 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(OCCCC)c1 69358328 BGLRMWIVIMGSTK-AWEZNQCLSA-N 291.391 3.785 30 20 CHED N#Cc1ccccc1COc1cc([N+](=O)[O-])ccc1Cl 70089133 JIOOMJOPENQDCX-UHFFFAOYSA-N 288.690 3.699 30 20 CHED Cc1occc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 75297792 UXSPXUNUFSGKCP-IRXDYDNUSA-N 294.354 3.500 30 20 CHED N#Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 76709173 XZINYOBBAMNBBK-HUUCEWRRSA-N 296.757 3.954 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc3[nH]ccc23)c1 81587505 JDLRRWVXGOKUFI-UHFFFAOYSA-N 292.338 3.985 30 20 CHED CC(C)(C#N)CCC[S@](=O)Cc1ccc(Cl)cc1 83076402 JGJZDFWHYWFDHJ-GOSISDBHSA-N 283.824 3.919 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc(-c2nc(C)cs2)c1 84708929 NLQAODPKKJNZLN-CYBMUJFWSA-N 286.356 3.578 30 20 CHED C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@@H]1C 91859672 BGUZVDDCLSQUPY-HUUCEWRRSA-N 272.392 3.599 30 20 CHED C[C@H](c1ccncc1)N(C)CC#Cc1ccc(Cl)cc1 91986304 KFSHZHSPFCDNBO-CQSZACIVSA-N 284.790 3.780 30 20 CHED Cc1cc(C#N)cc(C)c1OC/C(Cl)=C/Cl 92025873 LEPUZTOVVDNSMA-WZUFQYTHSA-N 256.132 3.873 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C1(CC(C)C)CCCC1 94816913 QYLWVWOQXFPONU-CQSZACIVSA-N 264.413 3.601 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1 98008553 FJHHNSVGVCGGEM-VURMDHGXSA-N 296.322 3.710 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(F)cc1C#N 103138601 YZAXHVDFCSXUMA-UHFFFAOYSA-N 268.335 3.719 30 20 CHED C=C(C)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 104058712 VAZYLSAEZVOADD-UHFFFAOYSA-N 287.382 3.656 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C1CCCCCC1 104628047 VDASXHGCHAYCEG-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C=CCCO[C@@H](C)C(=O)N(c1ccccc1)C1CCCC1 108745324 SQHJRHQOKOEUGF-HNNXBMFYSA-N 287.403 3.943 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]2c2ccccc2)nc1 110603793 FCCQRXSHKUFTOG-HZPDHXFCSA-N 263.344 3.701 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(C(F)F)c1 117005063 MISXBYLPPDHBFF-VIFPVBQESA-N 254.280 3.710 30 20 CHED C=CCC[C@@H](NCCc1ccccc1OC)C1CC1 119839188 CCPJGWXSBAOCJI-MRXNPFEDSA-N 259.393 3.572 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H]1CC[C@H](C)C1 121535885 MISLMFBJXCTAJT-UONOGXRCSA-N 264.413 3.791 30 20 CHED C=C(C)COc1cccc(NCc2cncs2)c1 129278358 RAZPVWWQNWABJQ-UHFFFAOYSA-N 260.362 3.710 30 20 CHED O=C(/C=C/c1cc(F)c(F)cc1F)c1ccc(O)cc1 129876711 HQELHXVIWXMZSS-ZZXKWVIFSA-N 278.229 3.706 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1[nH]c(C)cc1C 130398959 NMKASMCHKLECGO-UHFFFAOYSA-N 296.374 3.577 30 20 CHED CCCCCCC[S@](=O)Cc1cccc2c1OCCO2 133280825 YVRQQPXKXQLFNY-HXUWFJFHSA-N 296.432 3.677 30 20 CHED Cc1ccnc(N[C@H](C)c2ccc(F)cc2)c1C#N 135068525 PPVTUAAEFWOYKT-LLVKDONJSA-N 255.296 3.574 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H](c1cccnc1)C(C)C 151765179 MBUHEWWERRQHQB-QGZVFWFLSA-N 286.419 3.706 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cc(C)ccc2C)CC1 152970978 GCBGDTDRMNKNEO-KRWDZBQOSA-N 286.463 3.995 30 20 CHED C[C@H](Nc1nnc(C(F)(F)F)s1)c1ccc(C#N)cc1 153621545 LYULVQWHROUMSS-ZETCQYMHSA-N 298.293 3.602 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1ccccc1C(F)(F)F 156355304 WETQWMJMYSYOCW-JTQLQIEISA-N 286.297 3.642 30 20 CHED C=CCC[C@H](NC(=O)NCc1ccncc1)c1ccccc1 160461418 FHFKAFDYDSSTQK-KRWDZBQOSA-N 295.386 3.588 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(Cl)cc1SCC 161008761 UZPPQAOCOKPUCF-SECBINFHSA-N 269.797 3.756 30 20 CHED CCCC[C@H](CC)C(=O)N[C@H](C#N)c1ccccc1F 161306033 QCWUNWSZIRYCDJ-SWLSCSKDSA-N 276.355 3.723 30 20 CHED C=CCN(C)C(=O)c1cccc(Oc2ccccc2)c1 161415473 MWSZGPLXIIRDNT-UHFFFAOYSA-N 267.328 3.737 30 20 CHED C=C(C)CNc1nc(-c2ccccc2OC)cs1 171119225 GQBHSCJOOYCZPV-UHFFFAOYSA-N 260.362 3.807 30 20 CHED Cc1ncccc1/C=C/C(=O)c1c[nH]c2ccccc12 171419269 YMDLFESJKWPMFT-CMDGGOBGSA-N 262.312 3.767 30 20 CHED C[C@@H](C#N)CNC(=O)CC1CCC(c2ccccc2)CC1 171837959 RHCSBCUEJYQEHM-UQPPLGOBSA-N 284.403 3.626 30 20 CHED CCN(CCCSCC#N)[C@@H](C)c1ccc(C#N)cc1 173871919 IZECJGQZKCENKZ-AWEZNQCLSA-N 287.432 3.588 30 20 CHED C=C(C)CN(CC)C(=O)c1oc(-c2ccccc2)nc1C 174193152 NNGFKCUHLWCJLM-UHFFFAOYSA-N 284.359 3.688 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cc(F)c(O)c(F)c1 175320465 MKIWMNULJORHHY-VOTSOKGWSA-N 274.266 3.875 30 20 CHED CC(C)OC(=O)O[C@@H](C)Sc1ccccc1C#N 176621679 IEXSYUDFYNFOCG-SNVBAGLBSA-N 265.334 3.558 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@H]1CC[C@H](C)C1 177666205 XPXPVBMVQZMWIE-STQMWFEESA-N 286.375 3.722 30 20 CHED C#CCCCN[C@H](C)c1cc(C)ccc1OC(F)F 178054706 OEBMAZGKEGLIOU-GFCCVEGCSA-N 267.319 3.660 30 20 CHED N#CCCN(C/C=C/c1ccccc1)Cc1ccccn1 178389624 NVGSZSPWBFEPSZ-UXBLZVDNSA-N 277.371 3.511 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 178997706 RNCARLZEOKLFTD-LLVKDONJSA-N 299.399 3.912 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(-n2cccn2)cc1 179055174 LEUGFONBAWURAA-UHFFFAOYSA-N 288.354 3.665 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cc(Cl)ccc2Cl)C1 179863709 ZYRYIRJNIHKGGX-PSASIEDQSA-N 284.142 3.842 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc(Cl)c(Cl)c2)C1 179926981 NAJQCBDTWZTUTL-WPRPVWTQSA-N 284.142 3.842 30 20 CHED CCc1oc2ccccc2c1C(=O)O[C@H]1CC[C@@H](C#N)C1 179952358 NJKYGSYYTAHIMJ-NEPJUHHUSA-N 283.327 3.844 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 180950156 RDNMMSNLBBZWSS-GJZGRUSLSA-N 299.418 3.555 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC(C)(C)c1nc(C)cs1 181087890 DTASZKPFMGXZBN-LLVKDONJSA-N 295.452 3.731 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N[C@@H](CCC#N)c1ccccc1 181159597 PIRZPKWFECHRCV-YCPHGPKFSA-N 272.392 3.830 30 20 CHED CCc1ccc(CNc2ccc(F)cc2OCC#N)cc1 181543846 WALSGBGHRSJMFD-UHFFFAOYSA-N 284.334 3.903 30 20 CHED CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1F 181715856 GCKYEFQHTFXQNQ-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(F)c(F)c(F)c1F 182638116 HWBHIJZVKOTEMS-MRVPVSSYSA-N 289.272 3.718 30 20 CHED O=C(/C=C/c1ccsc1)c1cccc(F)c1F 182722773 HWSQYSWZWPQFBA-SNAWJCMRSA-N 250.269 3.922 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(OC)cc1 185753706 NWPPFTNKSGQZKA-LXZKKBNFSA-N 272.392 3.818 30 20 CHED C=CC[C@H](C(=O)NCc1ccccc1F)c1ccccc1 186112282 YIAGIRFBWIWYIS-INIZCTEOSA-N 283.346 3.802 30 20 CHED C=CCOc1ccc(C(=O)NCCCCCSC)cc1 187423573 OESYWWCISDAKEF-UHFFFAOYSA-N 293.432 3.515 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(NC(=O)OCC)cc1 188331735 YLRXDYWRCRETNF-MRXNPFEDSA-N 291.347 3.763 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)Cc1ccc(C)s1 188437356 BVGMUXBLYZTKAU-NHYWBVRUSA-N 265.422 3.706 30 20 CHED C=CCC[C@H](C(=O)OCc1ncc(C)o1)c1ccccc1 188943894 NJVSXQCRDSJLSV-HNNXBMFYSA-N 285.343 3.776 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1 189340594 DOFADRIRZWNRLV-CQSZACIVSA-N 250.345 3.751 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(-c2cccs2)ns1 191228841 XEUYAEYAUWZTRO-CYBMUJFWSA-N 293.417 3.807 30 20 CHED C=CCC1(c2nc(Cc3ccccc3)no2)CCC1 191232743 JTCVTPKYYYEZHZ-UHFFFAOYSA-N 254.333 3.658 30 20 CHED C#CCCCC(=O)Nc1nc(-c2cccc(F)c2)cs1 192095999 NITDTZSUMZFUCC-UHFFFAOYSA-N 288.347 3.691 30 20 CHED Cc1nc(-c2ccccc2)c(C(=O)OCCCC#N)s1 194493670 HULQAMWMFQKFGO-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1cc(Cl)cc(Cl)c1 227632864 BLSBIAQSBAWSJS-MRVPVSSYSA-N 286.162 3.617 30 20 CHED N#Cc1ccc(Sc2ccncc2)cc1Br 228254287 MWDGVRNNNVTTAH-UHFFFAOYSA-N 291.173 3.867 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(F)cc1F 229676341 KMQVRERJIIRDPT-LLVKDONJSA-N 266.335 3.945 30 20 CHED COc1cc(CNCCCCCCSC)ccc1C#N 234838434 WTFDCTGZNIDIRT-UHFFFAOYSA-N 292.448 3.580 30 20 CHED C=C(C)[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(F)c(F)c1 249064699 JZNSEERMMGSJSE-FFSVYQOJSA-N 281.346 3.739 30 20 CHED C=CCOc1ccc(C(=O)N2CCCC[C@H]2CC)cc1 253606224 VPAZGLHWVCZEOE-OAHLLOKOSA-N 273.376 3.656 30 20 CHED Cc1ncccc1/C=C\C(=O)c1ccc(OC(F)F)cc1 255142332 ZEBIZZKOVWXYDN-TWGQIWQCSA-N 289.281 3.888 30 20 CHED O=C(/C=C\c1ccsc1)c1c(Cl)nc2ccccn12 255186875 WSZAMJRKYSXMIJ-PLNGDYQASA-N 288.759 3.945 30 20 CHED COc1cccc(C(=O)/C=C\c2cnc3ccc(C)cn23)c1 255512730 QURUGAFENAZIMG-FPLPWBNLSA-N 292.338 3.547 30 20 CHED O=C1/C(=C/c2ccc(O)cc2)CCc2cc(F)ccc21 255552375 UIIQKHPTLWRJMY-UKTHLTGXSA-N 268.287 3.744 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(c2ncccc2C#N)C1 266274182 RSUUYTDBXDNTNU-WBMJQRKESA-N 281.334 3.680 30 20 CHED C=CCC[C@H](NCCCc1nc(C)no1)c1ccccc1 271517206 UHOFBWKHNZXWTI-INIZCTEOSA-N 285.391 3.608 30 20 CHED N#CCCCN[C@@H]1CCSc2ccc(Cl)cc21 273257518 MDPRSTIKXWWEDS-GFCCVEGCSA-N 266.797 3.770 30 20 CHED Cc1ccnc(N[C@@H]2CCc3cc(F)ccc32)c1C#N 273301744 GZMLKDKBXAYZMW-OAHLLOKOSA-N 267.307 3.500 30 20 CHED C#CCCCCc1nc([C@H](C)c2cccs2)no1 273746760 AVBFOWPTUMRLMR-LLVKDONJSA-N 260.362 3.629 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccncc2F)CCCC1(C)C 278123985 LWOIYIWMGVFGFQ-AWEZNQCLSA-N 291.370 3.819 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 278189474 DPRZQQLMUPAFDX-AWEZNQCLSA-N 290.794 3.943 30 20 CHED Cc1c(Cl)cccc1C(=O)N[C@@](C)(C#N)C(C)(C)C 278722669 KEVSCBXDMRZSEL-HNNXBMFYSA-N 278.783 3.707 30 20 CHED CCCn1ncnc1CS[C@H](C)c1ccc(C#N)cc1 279688928 FXWIJIMZNNENQC-GFCCVEGCSA-N 286.404 3.554 30 20 CHED C#CCCCCC(=O)Nc1cc(-c2ncc[nH]2)ccc1C 279949069 HZPMQPXCWUVNQN-UHFFFAOYSA-N 281.359 3.517 30 20 CHED Cc1ccc(Br)cc1OC[C@@H](C#N)CCC#N 280398133 GDEXACFLPJBDIF-LLVKDONJSA-N 293.164 3.580 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCc2c[nH]c3ccc(F)cc23)C1 282961603 ZRSRMCUEWMDPLN-CZUORRHYSA-N 299.393 3.912 30 20 CHED C=C(C)CCNc1ccc(C)c(C(=O)NC(C)C)c1 288650416 FAKAKZXUDFJZQW-UHFFFAOYSA-N 260.381 3.511 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ncc(-c2cccc(C)c2)s1 288828864 VOBAVRXVGCZBMN-INIZCTEOSA-N 299.399 3.997 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2ccc(C#N)cc2)CC12CCC2 291705319 GXANVYPJDGVVON-HNNXBMFYSA-N 283.375 3.601 30 20 CHED Cc1ccc2ncc(C#N)c(NCC(C)(C)C[C@@H](C)O)c2c1 291977163 PLPLCFQQBLZBMT-CYBMUJFWSA-N 297.402 3.624 30 20 CHED C=CCN(CCC#N)Cc1nc(-c2ccccc2)cs1 292305547 VBNRISJOITWCLS-UHFFFAOYSA-N 283.400 3.712 30 20 CHED C=CCC[C@H](NCCC1(OC)CCC1)c1ccco1 293811457 VTYYMBICJGWPBG-AWEZNQCLSA-N 263.381 3.836 30 20 CHED N#C[C@@]1(C(=O)Nc2cc(F)c(F)cc2F)CC12CCCC2 294715438 WFGPFZSOEKHWJX-OAHLLOKOSA-N 294.276 3.516 30 20 CHED Cc1cc(Cl)c(NC(=O)CCCC#N)cc1C 296082100 OOEFFXAUUOVTNC-UHFFFAOYSA-N 250.729 3.589 30 20 CHED C[C@@H](NC(=O)NCCCCC#N)c1cccc(C2CC2)c1 296322439 KWQNBQKKWRTQOR-CYBMUJFWSA-N 285.391 3.618 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCc4cccc(O)c43)CC2)c1 296833126 MPIJKNNWOSBQFT-INIZCTEOSA-N 290.366 3.530 30 20 CHED C=CCNC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 299418875 RCVVAZNRFJWFAU-JTQLQIEISA-N 286.297 3.594 30 20 CHED Cc1c(CNc2ncccc2C#N)oc2ccc(F)cc12 301108902 KDLFUVJVJCWLTA-UHFFFAOYSA-N 281.290 3.759 30 20 CHED N#Cc1ccc(N2CCSC3(CCCCC3)C2)cc1 301521340 FUFKEBALPDAYIR-UHFFFAOYSA-N 272.417 3.814 30 20 CHED CCOc1cc(Cl)ccc1CNc1ncccc1C#N 301764770 FZQOZFMGLKHKMR-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CCc1ccc(CCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1 303602819 AJXYOHUNTWVLRX-HNAYVOBHSA-N 298.430 3.770 30 20 CHED C#CCOc1ccc(C(=O)N(C2CC2)[C@H](C)[C@@H](C)CC)cc1 303818840 DMIWKNBRPGYTSN-LSDHHAIUSA-N 299.414 3.738 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@H]1CCC[C@H](C)C1 303930096 PMKSEBUDZOLVNC-STQMWFEESA-N 289.350 3.603 30 20 CHED CCN(Cc1ccc(Br)cc1C#N)C(C)C 309341253 VKKZLNOURNULHZ-UHFFFAOYSA-N 281.197 3.551 30 20 CHED N#Cc1c(F)cccc1NCCCOCc1ccccc1 310017783 PFHBPOUTEQVSCP-UHFFFAOYSA-N 284.334 3.716 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1sc(C(C)(C)C)nc1C 320460682 LFCGXNZWKQXPME-WCQYABFASA-N 296.480 3.727 30 20 CHED Cc1occc1CNc1ccc(C#N)cc1Br 321072849 NUTOKLAFAOPDKO-UHFFFAOYSA-N 291.148 3.834 30 20 CHED Cc1noc([C@@H](C)/N=C(/O)Nc2ccccc2C(C)C)n1 330425154 IEPZDJWTTNVYBM-SNVBAGLBSA-N 288.351 3.589 30 20 CHED Cc1oc2ccccc2c1C(=O)N1CCCC(C)(C)[C@@H]1C#N 332004896 RLECZAQEEACMNK-HNNXBMFYSA-N 296.370 3.896 30 20 CHED Cc1c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)oc2ccccc12 332201710 DJMVNTCCUQEQFG-HNNXBMFYSA-N 296.370 3.896 30 20 CHED C[C@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)CC[C@H]1C 334043134 ATSNGYZEQZTYLV-JKIFEVAISA-N 299.418 3.524 30 20 CHED CC1(C#N)CCC(N2CCC[C@@]3(CCSC3)C2)CC1 334670997 MCLDTWARNJEDTH-UYSNPLJNSA-N 278.465 3.678 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(C#N)s1 334815725 QEVMVNNUUHQULR-UHFFFAOYSA-N 290.775 3.858 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(C#N)c(F)c1 335188137 KMTWORDHCJRGOX-JTQLQIEISA-N 287.294 3.515 30 20 CHED C[C@H]1CC[C@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 335787280 CKANEDOVRCTPRB-STQMWFEESA-N 270.376 3.501 30 20 CHED N#Cc1cscc1C(=O)N1CCC[C@]2(CC=CCC2)C1 336040158 ABFCMLXMBLICOI-MRXNPFEDSA-N 286.400 3.582 30 20 CHED CC(=O)Nc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1Cl 336251987 WJOBMXOHMXKMBO-VXGBXAGGSA-N 291.782 3.793 30 20 CHED C[C@@H]1OCC[C@@H]1SCc1ccc(C#N)cc1OC(F)F 339072943 GUZJTDNTMNJQDW-ZANVPECISA-N 299.342 3.570 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cnn(-c2ccccc2)c1CC 342038422 IKNGGGRPAPOCIF-ZDUSSCGKSA-N 298.390 3.521 30 20 CHED N#Cc1cc(N2CCCC3(CCCCC3)C2)ccn1 342197714 FUKOCRBAASNPTG-UHFFFAOYSA-N 255.365 3.504 30 20 CHED N#CC1(CN(Cc2ccc(Cl)cc2)C2CC2)CC1 343164353 VTGWGGGARAXHCE-UHFFFAOYSA-N 260.768 3.608 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)N(C)CC1(C#N)CC1 343284326 RDKWFEJLIFRWQP-LBPRGKRZSA-N 277.437 3.872 30 20 CHED C=C[C@@H](CC(=O)NCc1occc1C)c1ccccc1 343568006 XRGDYOKXEHMRCH-AWEZNQCLSA-N 269.344 3.564 30 20 CHED CCN(Cc1cccc(Cl)c1)C(=O)[C@@](C)(C#N)CC 349148381 PEOLJMBBLAUYHQ-OAHLLOKOSA-N 278.783 3.628 30 20 CHED COc1ccc([C@H](C)N(C)Cc2cccc(C#N)c2)cc1 349790260 JSNVAURTYFQCHK-AWEZNQCLSA-N 280.371 3.760 30 20 CHED CCS[C@@H](C)c1noc(CCCCCC#N)n1 350160890 HHLCYENEKZYAJR-JTQLQIEISA-N 253.371 3.510 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H]1C1CCC1 350729669 MYNKKZSNJWDOEM-HIFRSBDPSA-N 288.439 3.747 30 20 CHED CC[C@H](NC(=O)NCC(C)(C)CCC#N)c1ccccc1 352314383 JOGMBODXLUZFRI-HNNXBMFYSA-N 287.407 3.767 30 20 CHED CC#CCCNC(=O)Nc1ccc(-c2csc(C)n2)cc1 353440609 ZQSGQICOGVVKFI-UHFFFAOYSA-N 299.399 3.653 30 20 CHED C=C(C)COc1cc(CN2CCC[C@@H]2CF)ccc1OC 354522179 RVBOKVOEWDJHOB-OAHLLOKOSA-N 293.382 3.584 30 20 CHED C=CCC[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccccc1 355260487 ORIIERKJPWKRPO-PVAVHDDUSA-N 259.393 3.851 30 20 CHED CCC(=O)Nc1ccc(NCc2ccc(C#N)cc2F)cc1 355395061 USHVNLAXZXNOSU-UHFFFAOYSA-N 297.333 3.658 30 20 CHED C=CCSCCN[C@H]1CC(C)(C)Cc2occc21 358030558 AUKMEGFMCHFBPJ-ZDUSSCGKSA-N 265.422 3.802 30 20 CHED C=CCOCCCSCC(=O)Nc1cccc(C)c1C 359149335 WQBKZZNDMREFHV-UHFFFAOYSA-N 293.432 3.568 30 20 CHED CCN(CC)C[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 360830640 DNMUZKCFYVRPMP-DNVCBOLYSA-N 299.462 3.646 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H](N2CCCC2)CC1 365442362 JQLJGUPBXJWZCZ-KRWDZBQOSA-N 291.483 3.657 30 20 CHED CC(C)[C@@H](Nc1cccc(C#N)n1)c1ccc(F)cc1 409546942 YCMYPCGYPUDZBE-MRXNPFEDSA-N 269.323 3.902 30 20 CHED Cc1c(C#N)cccc1NC(=O)C(C)(C)C1CCC1 410586249 CMUJXIKMIRHZCJ-UHFFFAOYSA-N 256.349 3.632 30 20 CHED C[C@@H](CC(=O)N(C)[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 410883041 KZTUXUSWQMEBFZ-QWRGUYRKSA-N 298.308 3.569 30 20 CHED CC(C)CO[C@H]1CCN(CCC2(C#N)CCCCC2)C1 411318170 POTGZEAUWXBVFR-INIZCTEOSA-N 278.440 3.597 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)C(C)C 412840422 NHKIMHFSJISVND-ZBFHGGJFSA-N 259.393 3.582 30 20 CHED CC(C)(CC#N)CNc1ccc(C(F)(F)F)c(C#N)c1 413410335 PPIRWHDGGUIJSP-UHFFFAOYSA-N 281.281 3.929 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC)C1CCC1 413840802 WAWSXIPVSZDNTF-INIZCTEOSA-N 286.419 3.758 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccc(F)c(F)c1 414125329 CSWSBWABMCOBTC-MEDUHNTESA-N 291.345 3.666 30 20 CHED CCC[C@@H](C(=O)N1CCc2cc(C#N)ccc21)C(C)C 416019588 YESOYRLOBBUIKT-OAHLLOKOSA-N 270.376 3.520 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 416092332 BOYYMYWGJKXABW-KRWDZBQOSA-N 294.398 3.798 30 20 CHED C=C(CC)Cn1c2c(c(=O)c3cc(OC)ccc31)CCCC2 419122800 GAKITGZQQXJSSK-UHFFFAOYSA-N 297.398 3.855 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2ccccc2CC#N)nc1 421543911 OZXIGAKBTOTJGV-UHFFFAOYSA-N 293.370 3.697 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@H](C2CCCC2)C1 421646107 MHBLXRHAFAPCKK-KRWDZBQOSA-N 293.451 3.788 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1C(F)F 425070200 GWHVWSYIKOGDMH-JTQLQIEISA-N 269.291 3.544 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 425114814 SXBNQHXWNIMTRE-VDNDLQMASA-N 282.387 3.514 30 20 CHED C=CCOCCCC(=O)N(C)C/C(C)=C\c1ccccc1 427216907 HJYHFTWUOWTNTJ-PEZBUJJGSA-N 287.403 3.531 30 20 CHED CSc1ccccc1C[C@@H](C)NCC1(CC#N)CC1 430742468 MCIAOHVNWKPITL-CYBMUJFWSA-N 274.433 3.623 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 430993965 QVTLHMOKNPEOED-AFAVFJNCSA-N 280.371 3.569 30 20 CHED CC[C@]1(C)CCN(C(=O)Nc2cccc(C#N)c2C)C1 431719174 OPYAXPCAVYYBCF-MRXNPFEDSA-N 271.364 3.521 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@H]1CCCC(F)(F)C1 432345458 IDCJRKOKSWZMRI-LBPRGKRZSA-N 288.382 3.713 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1 435070974 VBNDFEIYINLUKS-KGLIPLIRSA-N 284.403 3.531 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc2ccccc2c1 435748960 HOZBWZFRANRDLL-RBUKOAKNSA-N 281.399 3.911 30 20 CHED C=CCCCSCC(=O)N(C)CC1CCCCC1 437270761 SHSOELLRSRJESC-UHFFFAOYSA-N 269.454 3.725 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F 446290955 FANNPIICBDDOCE-QWRGUYRKSA-N 280.334 3.571 30 20 CHED CCOc1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1F 447132999 MTMIYLKTARFXDH-UHFFFAOYSA-N 281.290 3.639 30 20 CHED C=CCCCNC(=O)Nc1cccc(CC)c1CC 448080686 OVFDXPXTGJRRRM-UHFFFAOYSA-N 260.381 3.899 30 20 CHED C=CCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1CC 448391076 SQERMSMYVJOPKW-UONOGXRCSA-N 252.402 3.563 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CCCC(=O)C2CC2)cc1 448667124 JGYFBAVLUKRYJX-UHFFFAOYSA-N 298.386 3.576 30 20 CHED C=CC(C)(C)C(=O)NCCc1cc(Cl)cc(Cl)c1 448803718 FCMCZTRSMNTSOE-UHFFFAOYSA-N 286.202 3.864 30 20 CHED C=CCC1(C(=O)N2CCc3ccc(C#N)cc32)CCCCC1 450257288 KSGBODQCMCTSJY-UHFFFAOYSA-N 294.398 3.974 30 20 CHED CC[C@H]1c2ccsc2CCN1CC1(C#N)CCC1 450264544 TYGPDGOCYAQZDB-ZDUSSCGKSA-N 260.406 3.751 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C)nc1C(C)C 451627755 YRRRREKCQKRXDE-CYBMUJFWSA-N 260.381 3.598 30 20 CHED CC[C@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452656114 MGNAJVQYCHKISD-NSHDSACASA-N 274.364 3.720 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](OCC)[C@H](C)C2)CCCCC1 452861169 LUDOCSAWZTVWHU-HZPDHXFCSA-N 293.451 3.787 30 20 CHED C=CCCc1noc(-c2ccc(C(C)(C)C#N)cc2)n1 453241091 VGNLIOQXADYQHI-UHFFFAOYSA-N 267.332 3.656 30 20 CHED C=CCC[C@@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)C1CC1 453353798 CTWNYWFTJDBIPW-JFIYKMOQSA-N 286.419 3.636 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CC(C)(C)C 454649306 SPGDGDYXBAOUEK-GFCCVEGCSA-N 273.380 3.813 30 20 CHED C=C(CC)CNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 455535193 LBXOZHGWTFESPR-GDBMZVCRSA-N 272.392 3.745 30 20 CHED CCSCc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1 455869740 XIMJWSMGJXJUEA-LBPRGKRZSA-N 291.420 3.706 30 20 CHED C[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)[C@H]1CCC[C@@H](C)C1 456983216 OZWMSICUIRCARV-BSXFFOKHSA-N 298.430 3.993 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(-c2cccs2)o1 457998596 XGFXQUNYKLBSEL-UHFFFAOYSA-N 288.372 3.678 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(OC)c(Cl)c(OC)c1 458221744 MQOXWVHNRDENDD-HNNXBMFYSA-N 297.782 3.898 30 20 CHED C=CCCCS[C@@H]1CCCN(CC(C)(C)C)C1=O 460774001 AJJKNLIGILAJQF-CYBMUJFWSA-N 269.454 3.723 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)c1cccc(Br)c1 462124392 FCWHOLXYHLRJFL-MNOVXSKESA-N 296.208 3.633 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 462607996 SQYWVYYIYVWSMG-HOTGVXAUSA-N 292.382 3.936 30 20 CHED CCO[C@H]1C[C@H](Nc2c(Cl)cccc2C#N)C12CCC2 462888031 CXUSMCIZKFSFGP-KBPBESRZSA-N 290.794 3.971 30 20 CHED C=CC[C@H](CC)NC(=O)c1ncsc1-c1ccccc1 466535694 HSNNWIINAHAXQX-ZDUSSCGKSA-N 286.400 3.895 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2ccc(OC)cc2)CCC1 466537571 ZUTOAFHSOBSKAO-HNNXBMFYSA-N 287.403 3.588 30 20 CHED CC(C)CN(CCCSCC#N)CCc1ccccc1 466730723 VCEIXMPMDHYRSB-UHFFFAOYSA-N 290.476 3.834 30 20 CHED CC[C@H](C#N)NC(=O)C1(C2CCCCC2)CCCCC1 468585211 KSUWIOZERCWQIL-OAHLLOKOSA-N 276.424 3.936 30 20 CHED C=CC[C@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 468655147 HGVQTQAXCHXCGU-SUIFULHWSA-N 260.337 3.552 30 20 CHED C=CCC1(C(=O)NCC(C(C)C)C(C)C)CCC1 469812366 TWSXPOGKTITIHJ-UHFFFAOYSA-N 251.414 3.777 30 20 CHED C=CC[C@H](C(=O)N[C@@H]1CC[C@@H](C)C1)c1ccccc1 474125506 VWYFQYHUFCBSIR-BMFZPTHFSA-N 257.377 3.651 30 20 CHED Cc1nc2ccccn2c1COc1cc(Cl)ccc1C#N 474403142 OWCZYQPCYOIPLY-UHFFFAOYSA-N 297.745 3.747 30 20 CHED Cc1ccc(CC(=O)N(CC#N)c2ccccc2)c(Cl)c1 474634642 MZLUWLGAYBDYJQ-UHFFFAOYSA-N 298.773 3.748 30 20 CHED C=CCCC1(C(=O)Nc2cc(C)c(OC)cc2C)CC1 477090543 PKXQYSLDDLLTTE-UHFFFAOYSA-N 273.376 3.997 30 20 CHED CC(C)(C)[C@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 481046534 YPBXEAHNAIXING-NSHDSACASA-N 277.799 3.869 30 20 CHED CCC(CC)CN(CCC#N)CCc1ccc(OC)cc1 484923517 UPAWWUBOJRFOLG-UHFFFAOYSA-N 288.435 3.890 30 20 CHED C=CCNC(=O)Nc1cccc(OCc2ccccc2C)c1 485263523 XDACJIMWNFTTOR-UHFFFAOYSA-N 296.370 3.882 30 20 CHED C=CCCCC(=O)Nc1c(-c2ccccc2)n[nH]c1C 487079339 PFOBOPOTXXBEPN-UHFFFAOYSA-N 269.348 3.680 30 20 CHED CC[C@@H]1Cc2ccccc2CN1c1ccc(C#N)c(C)n1 487761816 OSCRPKAMXIPMMV-QGZVFWFLSA-N 277.371 3.603 30 20 CHED N#Cc1c(F)cccc1NCCc1cccc(F)c1F 488225230 YQLLMRUIQCICSE-UHFFFAOYSA-N 276.261 3.630 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1sc(C(C)(C)C)nc1C 488858233 DBIBMVKNSHCTLE-GFCCVEGCSA-N 292.448 3.930 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2sccc21 488878318 LRUVQLIBPVBQSA-GXTWGEPZSA-N 275.417 3.735 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C)c1ccc(OC)cc1 488879687 PKBYESJRVHNWQC-GOEBONIOSA-N 287.403 3.756 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2nc(C)ccc2c1 488884712 YUCLJJZEOLKEQR-INIZCTEOSA-N 280.371 3.724 30 20 CHED C#CCN(Cc1cncn1C(C)C)[C@@H]1CCc2ccccc21 491628315 LYJHHXWVYGNSBR-LJQANCHMSA-N 293.414 3.587 30 20 CHED CN(Cc1cccc2[nH]ccc12)c1ccc(C#N)cc1F 493607245 VLZJMOVCGYMEBB-UHFFFAOYSA-N 279.318 3.815 30 20 CHED Cc1ccc(NC(=O)NCCc2cccc(C#N)c2)cc1C 500217390 ONROSQPUCTUHNC-UHFFFAOYSA-N 293.370 3.539 30 20 CHED Cc1cccc([C@H](C)NCCc2cccc(C#N)c2)c1 503580734 DYEVGJNZPGZMRI-HNNXBMFYSA-N 264.372 3.760 30 20 CHED C=C(C)CCc1noc(-c2cnn(-c3ccccc3C)c2)n1 508602832 GBSMNDVPBFYJSF-UHFFFAOYSA-N 294.358 3.739 30 20 CHED CC(C)C[C@H](C)CSCC(=O)Nc1cccc(C#N)c1 512821480 QVTYFUWMIPQLEE-ZDUSSCGKSA-N 290.432 3.912 30 20 CHED C=CCCCCCNc1ccc(NC(C)=O)cc1OC 515979172 JKLQADXLNCXTQM-UHFFFAOYSA-N 276.380 3.812 30 20 CHED N#CCSCC(=O)N(c1ccccc1)C1CCCCC1 520000031 SIJMMVSVGGDAOJ-UHFFFAOYSA-N 288.416 3.609 30 20 CHED N#Cc1cccc(Cl)c1N1CCc2ccccc2CC1 525192538 BELMISWONZJSMT-UHFFFAOYSA-N 282.774 3.817 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CCCC2CCCC2)C1 525197171 URLMCTHRASBHOA-WMLDXEAASA-N 276.424 3.936 30 20 CHED N#Cc1ccc(N2CCCC[C@@H]2Cc2ccc(F)cc2)nc1 531393199 XLRPYTRCQQRKBH-QGZVFWFLSA-N 295.361 3.694 30 20 CHED CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 532608564 LDBAEUBLVFTFTG-UHFFFAOYSA-N 297.320 3.811 30 20 CHED OCCCCCNc1ccccc1C#Cc1ccccc1 535686380 SSOAJZKGSUJJMB-UHFFFAOYSA-N 279.383 3.661 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1ccc(C#N)cc1[N+](=O)[O-] 536500516 XDMMNMURSDTYDN-HNNXBMFYSA-N 293.326 3.874 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1ccccc1F)C1CCCC1 537095063 IZBKUHCDUGKHBT-KBXCAEBGSA-N 291.410 3.831 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@H](C)C2(CCC2)C1 537186197 LXFYHZLYNDHQRC-LSDHHAIUSA-N 278.440 3.953 30 20 CHED CC(C)C[C@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 540883645 UKAIEJJNACIQRC-GFCCVEGCSA-N 290.794 3.720 30 20 CHED C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 542550959 OTWFBGDZSYPFPT-NSHDSACASA-N 284.746 3.703 30 20 CHED C=CCC[C@@H](C)NC[C@H](CO)Cc1c(F)cccc1Cl 544567396 BZMDYVFSRNXLFW-CHWSQXEVSA-N 299.817 3.574 30 20 CHED C=C[C@H](CC(=O)N(C)c1cnccc1C)c1ccccc1 547337018 FCVHIZRHALLKSL-OAHLLOKOSA-N 280.371 3.713 30 20 CHED CC1=CC[C@@H](NCCSCc2ccccc2C#N)CC1 550934175 XGAHZGYHDQQYAB-QGZVFWFLSA-N 286.444 3.880 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 551240611 OMPSWEFVPUAIRB-ZDUSSCGKSA-N 286.419 3.824 30 20 CHED C=CCC[C@@H](NC[C@H](O)CC(C)(C)C)c1ccco1 552058283 AGJRWNKLBZCANX-ZIAGYGMSSA-N 265.397 3.674 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1cc(OC)ncc1F 558254380 CALOVSFSYUWXCC-VXGBXAGGSA-N 266.360 3.625 30 20 CHED N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CC2)s1 561494526 YGMVGQYXIIZUOT-INIZCTEOSA-N 286.375 4.000 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCc3ccccc31)CC2 562096289 QKYOXYKYIJWWEG-YLJYHZDGSA-N 288.394 3.865 30 20 CHED C[C@H](CNC(=O)N1CCC(CCC#N)CC1)c1ccccc1 564890018 VGFYYOUWPBYZNF-OAHLLOKOSA-N 299.418 3.515 30 20 CHED CC(C)(C)OCCCCN1CCC(CCC#N)CC1 564915908 OFAVEHTVVHHDGG-UHFFFAOYSA-N 266.429 3.597 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@@](C)(C#N)C1CCCCC1 569406661 WRFBAARLAPEMPC-CPUCHLNUSA-N 276.424 3.791 30 20 CHED CC#CCN(C)C(=O)CCCc1ccc2ccccc2c1 569496988 VGJLLPAKODDXIH-UHFFFAOYSA-N 279.383 3.644 30 20 CHED N#Cc1cccc(OCCSc2ccc(C#N)cc2F)c1 576036809 SGHBNFYTIWBEIH-UHFFFAOYSA-N 298.342 3.740 30 20 CHED CN(CCC(C)(C)C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 576189949 YWXYJKPTVQRPAN-TXEJJXNPSA-N 276.346 3.979 30 20 CHED CS[C@@H](C)CNc1c(C#N)cnc2c(Cl)cccc12 581545529 PTOCXYUDSRVNKS-VIFPVBQESA-N 291.807 3.923 30 20 CHED Cc1cc(F)c(F)cc1OCCCC1(C#N)CCOCC1 585728548 XOQMYSMGQBJBIO-UHFFFAOYSA-N 295.329 3.753 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCCCC#N 588369606 UQUGTOAUUIZHBQ-KFWWJZLASA-N 262.397 3.640 30 20 CHED C[C@@H](NC(=O)N[C@@H]1C[C@H]1CC(C)(C)C)c1ccc(C#N)cc1 593149796 VSMXLIPCWRJOSA-UHOFOFEASA-N 299.418 3.743 30 20 CHED COC(=O)C1CC(c2ccc(-c3ccc(C#N)cc3)cc2)C1 593948291 IGTUXRGLKBHUDR-UHFFFAOYSA-N 291.350 3.892 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@@H]2CCCS2)no1 594528715 CRUMCUSWIUCTSN-FZMZJTMJSA-N 299.399 3.856 30 20 CHED N#Cc1ccc(CCNC2(c3ccc(F)cc3)CC2)cc1 595372483 KNIMZVLIZAZKAY-UHFFFAOYSA-N 280.346 3.519 30 20 CHED N#C[C@H](c1ccccc1)N1CCC(CC(F)(F)F)CC1 595474884 HTXDLVYGJYOBAI-CQSZACIVSA-N 282.309 3.916 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 595622841 DUVZQTRFKONPQM-AWEZNQCLSA-N 254.377 3.690 30 20 CHED CCc1nc(C#N)cc(SCc2cc(C)ccc2OC)n1 596163212 QNBFDKCSAOWKOX-UHFFFAOYSA-N 299.399 3.520 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)Nc1nc(C#N)ccc1C 596185598 OBFQQUDYVYBFMY-WBMJQRKESA-N 299.349 3.589 30 20 CHED CN(C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)C1(C#N)CCC1 596910887 KNEGBFVRVFAZMX-IAGOWNOFSA-N 296.414 3.550 30 20 CHED CC(C)c1cccc(C(=O)NCCc2ccc(C#N)cc2)c1 597889004 DLLUXASVPNTBKY-UHFFFAOYSA-N 292.382 3.654 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N1CCC[C@H](CC#N)C1 597911639 ALVPGKJYDZTOLX-HZPDHXFCSA-N 276.424 3.745 30 20 CHED C=CCCSCCNC(=O)c1coc2c(C)cccc12 597973813 OHKKJWLYPYOWIE-UHFFFAOYSA-N 289.400 3.780 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCSCCCC)C1 597999723 WIPIXMAMGVERGB-AWEZNQCLSA-N 269.454 3.725 30 20 CHED CCN(C(=O)c1sc2ccc(F)cc2c1C)[C@@H](C)C#N 598355459 CSAFEAKNNRKTGF-VIFPVBQESA-N 290.363 3.723 30 20 CHED CC(C)(C)OC(=O)CS[C@H](C#N)CCc1ccccc1 601081234 MQLDQFHORUIUHC-AWEZNQCLSA-N 291.416 3.586 30 20 CHED CCCc1nnc(S[C@H](C#N)CCc2ccccc2)o1 601081320 VHOGRDVBKALRHM-ZDUSSCGKSA-N 287.388 3.639 30 20 CHED CC(C)CC1(CNC(=O)c2ccccc2CC#N)CCC1 601306235 DGLJHLLBIKDNBV-UHFFFAOYSA-N 284.403 3.699 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)CCCC1CC1 602393564 VRBOSUXWYXYOLL-UHFFFAOYSA-N 274.339 3.571 30 20 CHED CC(=O)Nc1c(C)ccc(NC[C@H](C)CCC#N)c1C 602487264 JSMHQMYKVWCZAM-LLVKDONJSA-N 273.380 3.614 30 20 CHED CC(C)[C@H]1CCC[C@@H](N[C@H](C)CC2(C#N)CCOCC2)C1 602543333 BFWFQKLZPIPXAH-IXDOHACOSA-N 292.467 3.890 30 20 CHED Cc1cccc([C@H]2CCCN2CC2(CC#N)CC2)c1 602766865 GBYOZHKSFUJAQJ-MRXNPFEDSA-N 254.377 3.826 30 20 CHED N#CCC1(CN2CCc3c(Cl)cc(F)cc3C2)CC1 602831008 DVZZEWSLQRNWAF-UHFFFAOYSA-N 278.758 3.531 30 20 CHED C=CCCCCCN(C)C(=O)CO[C@H]1CCCC[C@@H]1C 606813929 CBTRMRFSCFQKIL-HOTGVXAUSA-N 281.440 3.787 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1sccc1C#N 609566134 PYXUDLGOVRODHK-ZDUSSCGKSA-N 284.384 3.827 30 20 CHED N#CCN(C(=O)c1cc2occc2s1)c1ccccc1 609856678 YSUGOJXBTSZYJM-UHFFFAOYSA-N 282.324 3.665 30 20 CHED C[C@@H](C#N)C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 609920163 OZQVWPQZBMHLRX-BBRMVZONSA-N 284.403 3.807 30 20 CHED C=CC1CCN(c2c(C#N)cnc3c(C)cccc23)CC1 610277951 OZZMJJGWBDTUIU-UHFFFAOYSA-N 277.371 3.817 30 20 CHED CCC(CC)(CC)C(=O)N[C@@H](C)c1cccc(C#N)c1 610758430 VADYERAFGRWREE-ZDUSSCGKSA-N 272.392 3.952 30 20 CHED C[C@H](NC(=O)N1CC[C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 612134237 ZEUDKWKEFKBWRX-XJKSGUPXSA-N 299.418 3.697 30 20 CHED CCCc1ccc(CN2CCC[C@](C)(C#N)C2)cc1 612164760 IIAWMJVNOOCNCZ-QGZVFWFLSA-N 256.393 3.765 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N1CCC[C@@](C)(C#N)C1 612370361 ZSAOOGDVJSAGLI-WBVHZDCISA-N 276.424 3.745 30 20 CHED COc1ccc2ccccc2c1CN1CCC[C@](C)(C#N)C1 612406816 UWSXUNZJRUGAIN-LJQANCHMSA-N 294.398 3.974 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1ccc(Cl)cc1 620864235 XGFRGQUOOSUJBL-UHFFFAOYSA-N 265.784 3.744 30 20 CHED C=CCCNC(=O)c1c(C)cc(C)c(Br)c1C 628058475 LWLZDCVJJMUAKF-UHFFFAOYSA-N 296.208 3.680 30 20 CHED C=CCN1CCC(NCc2ccc(F)c3ccccc23)CC1 631065152 QWOYUALCFTXEGO-UHFFFAOYSA-N 298.405 3.719 30 20 CHED C[C@H]1CC(=O)c2c(Oc3ccc(C#N)cn3)ccc(F)c21 637452389 XENBKLJQKUKGGE-VIFPVBQESA-N 282.274 3.575 30 20 CHED C=CCC1(NCc2ccc3c(c2)CCCC3)CCOCC1 657634907 RWTRWZLCABAJQI-UHFFFAOYSA-N 285.431 3.780 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@@](O)(C(F)(F)F)C1 658021638 UUXWZAPJKVAYRY-RFGFWPKPSA-N 291.357 3.557 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C)nn1C(C)(C)C 663240985 FIQXCSQWTJJFEK-UHFFFAOYSA-N 292.427 3.813 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)c1ccco1 665667102 VNLWFYVSWLHDFH-GDBMZVCRSA-N 283.371 3.687 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(OC)c2)C1 666829250 OGSZSKYAHLXAQA-GFCCVEGCSA-N 292.354 3.654 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1CC(OCc2ccccc2)C1 716210699 AJHHASMQPGYXRH-OOHWJJMZSA-N 286.419 3.652 30 20 CHED C#Cc1cccc(NC(=S)Nc2cc(C)ccc2OC)c1 726436388 QASWKBXQYTYYSK-UHFFFAOYSA-N 296.395 3.794 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(O)c(C)c1 728231950 OPQUQTZFYJFCSK-FLIBITNWSA-N 282.339 3.995 30 20 CHED Cc1ccccc1/C=C\C(=O)c1csc(C(=O)O)c1 730148920 PTAAVYMCJHBDKX-SREVYHEPSA-N 272.325 3.651 30 20 CHED Cc1nc2c(s1)C(=NOCc1ccccc1)CCC2 730948051 VXFFQNYSHBYVTD-UHFFFAOYSA-N 272.373 3.709 30 20 CHED Fc1ccccc1NN=Cc1ccnc2ccccc12 731314945 YJRFSHLVWFJHKU-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1ccc(F)cn1 731318685 NDAWZWYNTQVCGH-UHFFFAOYSA-N 275.302 3.780 30 20 CHED C=C(C)CN(CC)C(=O)c1ccccc1OCC(C)C 731324889 KLJNOORTDNHQQG-UHFFFAOYSA-N 275.392 3.760 30 20 CHED C#CCOc1ccccc1CNC/C(C)=C\c1ccccc1 734159047 DVKYZISWMDUJFS-VKAVYKQESA-N 291.394 3.892 30 20 CHED C=C(Cl)CNC(=O)NCc1ccc(C(C)(C)C)cc1 737038186 RNLDTZREXOSCCE-UHFFFAOYSA-N 280.799 3.536 30 20 CHED C=C(C)COC(=O)c1ccc(CN(CC)CCC)cc1 741336947 YSZQCDNNRIDVQC-UHFFFAOYSA-N 275.392 3.651 30 20 CHED CCC(=NNc1cc(F)cc(F)c1)c1c(C)nn(C)c1C 741839680 MYQPDBHZYHRFRB-UHFFFAOYSA-N 292.333 3.541 30 20 CHED Cc1nc(C)c(Cn2ccc(-c3ccc(C#N)cc3)n2)s1 742356864 XVSBUBQJDPMPNM-UHFFFAOYSA-N 294.383 3.543 30 20 CHED O=C(/C=C\c1cccs1)c1ccc2c(c1)COC2 742436850 NZPLMPRYWSWMBY-WAYWQWQTSA-N 256.326 3.674 30 20 CHED C=CCOc1ccc(OC(=O)[C@H](SCC)C(C)C)cc1 742864032 GCGJZVMPSSLXBS-OAHLLOKOSA-N 294.416 3.935 30 20 CHED Clc1ccc(NN=Cc2cc3ccccc3o2)cn1 743450823 RCUBEFDDXDTIJN-UHFFFAOYSA-N 271.707 3.927 30 20 CHED CC(C)Cc1ccc(CC(=O)OCC2(CC#N)CC2)cc1 744276447 ZRDAEMYDBKYLJT-UHFFFAOYSA-N 285.387 3.665 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@H](C)C1)C1CCCCC1 744845420 ZNIDUFPHGZQUSA-LSDHHAIUSA-N 276.424 3.543 30 20 CHED CCOc1ccc(C=NOCCCOc2ccccc2)cc1 745581157 GZIIIVICAKGAMM-UHFFFAOYSA-N 299.370 3.905 30 20 CHED CCCCCCCCC(=O)NC[C@H](O)c1ccccc1F 746713138 QVJOOTPKQWVMMV-INIZCTEOSA-N 295.398 3.726 30 20 CHED CC(C)=C(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 751190940 MCLIXQBPIDIDFR-UHFFFAOYSA-N 295.304 3.529 30 20 CHED Oc1ccccc1/C=N\Cc1c(F)cccc1OC(F)F 751890000 HRKUOIGHHCKCPM-UWVJOHFNSA-N 295.260 3.752 30 20 CHED C[C@H]1CN(Cc2ccc(O[C@H](C)C#N)cc2)CC(C)(C)C1 753575571 LAXZTLVWLXCPAE-HUUCEWRRSA-N 286.419 3.845 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccccc1-c1ccccc1 753944759 LNQJNCYEVYZXRW-UHFFFAOYSA-N 278.355 3.887 30 20 CHED CC[C@H]1CC(=NNc2ncc(Cl)cc2Cl)CCO1 756823420 LOGOQUVZYYISMN-JTQLQIEISA-N 288.178 3.745 30 20 CHED C#CC[C@H](NC(=O)c1ccc(C)cc1C)c1ccccc1 757617979 RSWREXBRJJQHCU-SFHVURJKSA-N 277.367 3.798 30 20 CHED C#CCCCC(=O)N(c1ccccc1F)C1CCCC1 758487244 YBPWPBMAYKJLGN-UHFFFAOYSA-N 273.351 3.905 30 20 CHED C#CCCCCNCc1c(Cl)cccc1OC(F)F 758496339 CUSCCXKGFFKNNP-UHFFFAOYSA-N 287.737 3.835 30 20 CHED C/C(=C/C(=O)OCc1ccc(F)c(C#N)c1)C(C)(C)C 758954326 NEHHVJJZLCMJOS-XFFZJAGNSA-N 275.323 3.733 30 20 CHED N#C[C@H](C(=O)[C@H]1CC12CCC2)c1ccc2ccccc2n1 759815912 VBSZOLGIJTWKSC-UONOGXRCSA-N 276.339 3.601 30 20 CHED CC(=NOCC(F)F)c1ccc(OC(C)(C)C)cc1 764914140 AQYVPTWFKYOWMU-UHFFFAOYSA-N 271.307 3.870 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 767092132 UARZMZDIWGJMTQ-UHFFFAOYSA-N 285.387 3.903 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1ccc(C#N)nn1 767208485 LBPHSUSVURLVLD-OCCSQVGLSA-N 272.396 3.613 30 20 CHED Fc1ccc(C=NNCCc2ccccc2F)c(Cl)c1 767791226 AVJUTLHJDUCUOI-UHFFFAOYSA-N 294.732 3.784 30 20 CHED N#Cc1csc(C(=O)OCCCCc2ccccc2)c1 768040125 ZUEBLTGBJLXMHP-UHFFFAOYSA-N 285.368 3.799 30 20 CHED N#Cc1ccc(NC(=O)[C@@H](F)c2ccccc2)cc1Cl 769434554 HNYDQTMINZVWOE-AWEZNQCLSA-N 288.709 3.861 30 20 CHED O=C1c2ccccc2CCN1N=C/C=C\c1ccc(F)cc1 769597428 HVCSBQREHXITHF-CJPIAGCJSA-N 294.329 3.523 30 20 CHED CCc1ccc(/C=C2/CCc3nc(O)ccc3C2=O)s1 769614748 MJIDUSMEODKGHA-KTKRTIGZSA-N 285.368 3.624 30 20 CHED C=CCN(C(=O)c1ccc(F)cc1C(F)(F)F)C(C)C 769667552 YFJGEUWTLLFEFR-UHFFFAOYSA-N 289.272 3.881 30 20 CHED CCCC(CCc1ccccc1)=NNC[C@@H](C)C#N 771105516 ZYUKVCQNXWAVFU-AWEZNQCLSA-N 257.381 3.525 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1ccccc1OC)C1CC1 772432117 LGUMQSBZZJFPAF-HNNXBMFYSA-N 288.391 3.506 30 20 CHED C#CCCCOC(=O)c1cc(C(C)C)n(-c2ccccc2)n1 772554855 SXXXVPNPKOQSSZ-UHFFFAOYSA-N 296.370 3.566 30 20 CHED CCCCCCCCNC(=O)C[C@@H](O)c1cccc(F)c1 772820805 DBLIDWSUELKDAH-MRXNPFEDSA-N 295.398 3.726 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CC2(CCC2)C1 772843205 SPOYVZPMTFXAOF-UHFFFAOYSA-N 259.309 3.635 30 20 CHED N#Cc1c[nH]c(C(=O)OCc2cccc(Cl)c2Cl)c1 773441156 SZEXGIDOTNLUTM-UHFFFAOYSA-N 295.125 3.550 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2cccc3cc[nH]c23)c1 773904367 AGXRTMQEKMOTMJ-UHFFFAOYSA-N 281.271 3.532 30 20 CHED CCOCCON=CCCCc1ccc(C)c(C)c1 774438222 RLTQAXPARPMLME-UHFFFAOYSA-N 263.381 3.665 30 20 CHED COc1ccc(C(C)=NOC2CCOCC2)c2ccccc12 774457654 LIUCLIKVYCSTSX-UHFFFAOYSA-N 299.370 3.768 30 20 CHED C=CCN(C(=O)Nc1cc(C)n([C@H](C)CC)n1)C(C)C 776026465 NDIRMSKKXYYBNL-GFCCVEGCSA-N 278.400 3.591 30 20 CHED COc1ccc(/C=C/C(=O)O[C@@H](C#N)C2CCCCC2)cc1 776360712 DJRQVHDNRZUJCW-KQPPXVQYSA-N 299.370 3.724 30 20 CHED CC1(C)Cc2cc(C=NOCCC(F)(F)F)ccc2O1 777459648 KJNVTHJCBKKTBH-UHFFFAOYSA-N 287.281 3.703 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2cc(Cl)ccn2)C1 777906649 ZCEQZMJWTKGNJS-GHMZBOCLSA-N 251.761 3.959 30 20 CHED Clc1ccnc(NN=Cc2ccc3ncccc3c2)c1 777914077 WLHJAEUEGGCIFE-UHFFFAOYSA-N 282.734 3.729 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 779927329 YZSRPVGMACDTRK-HUUCEWRRSA-N 263.425 3.901 30 20 CHED C#CCCCCCC(=O)Nc1c(F)cc(C(C)=O)cc1F 780015424 RPCFUNZFYHXOLV-UHFFFAOYSA-N 293.313 3.690 30 20 CHED COc1ccc(NN=C[C@H]2CCCC(C)(C)C2)nc1 780270727 LREXGELROMUJTH-LBPRGKRZSA-N 261.369 3.704 30 20 CHED C#CCCCCCC(=O)Nc1cc(C2CCCC2)[nH]n1 780529216 AXDMFUBCOYOLFQ-UHFFFAOYSA-N 273.380 3.590 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2cc(Cl)cs2)ccc1F 782272361 OXCOYALJGXKRMO-UHFFFAOYSA-N 299.714 3.895 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)[C@@]1(C)CCCO1 782272394 PUGNVBDOZUORPG-ZWKOTPCHSA-N 288.435 3.788 30 20 CHED COc1ccc(NN=C2CCC[C@H](C(F)(F)F)C2)nc1 783524882 UKLCVOWGCIEFDT-VIFPVBQESA-N 287.285 3.611 30 20 CHED Cc1c(F)ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1N 784646770 DOJXZYTYGGVRAG-LLVKDONJSA-N 298.317 3.506 30 20 CHED O=C(/C=C\c1cnc(C2CCC2)s1)c1cncs1 787170711 AKSRDAUOLVAMKD-PLNGDYQASA-N 276.386 3.763 30 20 CHED C=CCCN(CC[C@H]1CCCO1)OCc1ccccc1 787311352 LLFTVAYVHHHNNR-QGZVFWFLSA-N 275.392 3.565 30 20 CHED C=CCOCCCC(=O)OCc1ccc(F)c(Cl)c1 787724606 ZMIBKZIOGUOMOR-UHFFFAOYSA-N 286.730 3.505 30 20 CHED COc1cc(NN=C(C)c2ccccn2)ccc1Cl 788471918 JXZNFXDFWAXCPF-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CCCCCCCCCOC(=O)c1csc(N)n1 788961283 SGZHWZPBESCDKR-UHFFFAOYSA-N 270.398 3.633 30 20 CHED C=CCC1(C(=O)OCc2ccc3c(c2)COC3)CCC1 791564172 AVJWBVWTJBUFEP-UHFFFAOYSA-N 272.344 3.506 30 20 CHED C=CC[C@H](NC(=O)N1CC(C2CCCC2)C1)c1ccncc1 793030306 TUOQPQPLSPIVLJ-KRWDZBQOSA-N 299.418 3.530 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NN[C@H](C)C(C)(C)C 793112181 QXYISTWTHBDZSO-CYBMUJFWSA-N 278.444 3.613 30 20 CHED C[C@@H](NN=Cc1nc2ccc(F)cc2s1)C(C)(C)C 793115943 USDQRMOPCSMJIP-SECBINFHSA-N 279.384 3.794 30 20 CHED C=CCC[C@H](C)N[C@@H](CCC)[C@@H](O)c1ccccc1 793239050 QJIKOOVSAMVUNA-XIRDDKMYSA-N 261.409 3.833 30 20 CHED CC[C@H](C)[C@H](C(=O)OCCCC#N)c1ccccc1 794005243 VOLAXMOKQMYFKX-ZFWWWQNUSA-N 259.349 3.663 30 20 CHED Fc1ccc(-n2nccc2C=NNc2cccc(F)c2)cc1 794497159 LMFZRZSUFYRLGC-UHFFFAOYSA-N 298.296 3.597 30 20 CHED COCCC[C@H](Cc1ccccc1)/N=C\c1ccccc1O 794834108 QROLGUOSKLONPW-CTBJKRMSSA-N 297.398 3.849 30 20 CHED CN(C)c1ccccc1CNN=C/C=C\c1ccc(F)cc1 794952803 WIKBMWOHIOZGFY-QPWSDHACSA-N 297.377 3.681 30 20 CHED CC(=NNc1ncccc1F)c1cc(C)c(C)cc1C 794992690 AUGUEPYZNYMFAD-UHFFFAOYSA-N 271.339 3.982 30 20 CHED CCCCCCCCn1ccnc1C(=O)c1ccncc1 795230763 JRKBLNGMAYLUBO-UHFFFAOYSA-N 285.391 3.870 30 20 CHED Cc1cccnc1COC(=O)C[C@H](CC#N)c1ccccc1 795983138 SFAMRVYZFANHGS-INIZCTEOSA-N 294.354 3.521 30 20 CHED N#Cc1ccccc1NC(=O)[C@H](F)CC1CCCCC1 796517353 RXNIUWXAVUUIOS-CQSZACIVSA-N 274.339 3.805 30 20 CHED C#CC[C@@H](OC(=O)c1c[nH]c(C(F)(F)F)c1)C(C)(C)C 797075170 COYTYOZAUWTDJK-LLVKDONJSA-N 287.281 3.628 30 20 CHED N#CC1(C(=O)OCCCCC2CCOCC2)CCCCC1 798603739 FQJYFGVAZALDQD-UHFFFAOYSA-N 293.407 3.601 30 20 CHED COc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1OC(C)C 799723611 NXMIXTFPONJCMQ-QWHCGFSZSA-N 274.364 3.587 30 20 CHED CC1(C)Cc2cc(N[C@H]3CC[C@H](C#N)C3)ccc2O1 799724286 KGJBREHZOSXASR-AAEUAGOBSA-N 256.349 3.504 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCCC(F)(F)F 799743063 UHMCRPFTRBRHRV-APSNUPSMSA-N 265.662 3.807 30 20 CHED c1ccc2nc(NN=C3CCC34CCC4)ccc2c1 799864887 LHSBBGOFUFJSBQ-UHFFFAOYSA-N 251.333 3.967 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ccc(C#N)s2)c(O)c1 799896430 VWUIGKIPDKMSBY-AATRIKPKSA-N 283.352 3.838 30 20 CHED Oc1cccc(C=Nc2ccc(OC(F)F)cc2F)c1O 800790756 UEPVOBYKMSPAIP-UHFFFAOYSA-N 297.232 3.589 30 20 CHED Cc1ccc(C)c(NN=C(Cn2cccn2)C(C)C)c1 802707217 HYXNKLGFCUOWKL-UHFFFAOYSA-N 270.380 3.624 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCCSCc1ccccc1 803785424 YZGGWCYHJPAQSI-INIZCTEOSA-N 291.416 3.793 30 20 CHED C[C@H](NC(=O)CCCCCC#N)c1c(F)cccc1F 805166992 TYXYKSXVIAYYRV-NSHDSACASA-N 280.318 3.616 30 20 CHED C=CCCCCCCNC(=O)Cc1cccc(C)c1 805219313 FNBCXTMBLXXVCV-UHFFFAOYSA-N 259.393 3.790 30 20 CHED C=CCCCCCN(C)CC(F)(F)Br 805837475 JHMVLSNCAXRIRU-UHFFFAOYSA-N 270.161 3.652 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(CCSC)cc1 806253281 QJEZPGYSIZNINJ-AWEZNQCLSA-N 290.432 3.516 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cc(Cl)c(C)cc1Cl 806365373 MLAWJJKPFBVZFE-VIFPVBQESA-N 285.174 3.835 30 20 CHED C=CCN(C(=O)Nc1ccc(F)c(CC)c1)C(C)C 806553288 LTBPNFINDHIDRM-UHFFFAOYSA-N 264.344 3.816 30 20 CHED COc1ccc(C=NOCc2ccccc2)c(C)c1OC 807961115 CDNMZNYEKZWXPC-UHFFFAOYSA-N 285.343 3.563 30 20 CHED CC(C)CCC(=NNc1nc[nH]n1)c1ccc(Cl)cc1 807997403 YLTWHXGAYDYNSB-UHFFFAOYSA-N 291.786 3.711 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(C)cc1)C(C)(C)C 808315202 WUTRWENJTUXTRA-IAGOWNOFSA-N 298.430 3.889 30 20 CHED C#Cc1ccc(CNC(C)(C)c2cccc(F)c2)cc1 809620181 CTGRDPWNPWKDHP-UHFFFAOYSA-N 267.347 3.832 30 20 CHED C#CCN(Cc1ccccc1)Cc1ccc(C)s1 809715774 GIIVBTCYTYLOOJ-UHFFFAOYSA-N 255.386 3.692 30 20 CHED C#CC[C@H](NC(=O)C1(F)CCCCC1)c1ccccc1 810751278 YAANAMJHIRYXJG-HNNXBMFYSA-N 273.351 3.540 30 20 CHED Cc1nc2ccc(C(=O)OC3(CC#N)CCC3)cc2s1 810854158 MPKXFWGJWSNADL-UHFFFAOYSA-N 286.356 3.598 30 20 CHED C=CCCCCOC(=O)CCc1nc2ccccc2o1 811013832 KPXIRSWSOWSABC-UHFFFAOYSA-N 273.332 3.660 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N[C@@]1(C)CCOC1=O 813296412 UPFCBUKOHUYESB-PBHICJAKSA-N 297.439 3.585 30 20 CHED CC(=NOCC1CC1)c1ccccc1C(F)(F)F 814244624 CVJFRAMIPXZVOB-UHFFFAOYSA-N 257.255 3.856 30 20 CHED COc1c(Br)cccc1C=NOCCC1CC1 814245541 WXHMLIHCDNRFPW-UHFFFAOYSA-N 298.180 3.608 30 20 CHED CCc1ccccc1NN=C(C)c1cc(N)ccc1F 814802253 YJUGSEFPCFAKSU-UHFFFAOYSA-N 271.339 3.806 30 20 CHED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNC1CCCC1 814833020 UNMBLRQMNHBHPU-MAUKXSAKSA-N 286.419 3.857 30 20 CHED N#Cc1ccc(NN=Cc2ccc3oncc3c2)cc1Cl 814901785 XGVPXYWXZVIWAN-UHFFFAOYSA-N 296.717 3.799 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc(SCC)c1 815612875 YSJDWWPLRQZSTE-UHFFFAOYSA-N 271.332 3.949 30 20 CHED Cc1ccc2snc(C(=O)Oc3ccc(C#N)cc3)c2c1 815900872 VATHOUYNGNQYPS-UHFFFAOYSA-N 294.335 3.696 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)C(C)(F)F)n1 815970806 KJACDAYTDMBOBU-BDAKNGLRSA-N 286.347 3.734 30 20 CHED CCCCCCCC(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 818782980 WWJMUOMNTULYBN-KRWDZBQOSA-N 293.451 3.765 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H](CC(F)(F)F)C1 823077361 LCQMZWQBTAPWKR-VXGBXAGGSA-N 277.330 3.780 30 20 CHED C#CCCCCNC(=O)Nc1ccccc1C(F)F 824429742 XUHHCEOIYYNCIF-UHFFFAOYSA-N 266.291 3.549 30 20 CHED C#CC[C@H](OC(=O)c1cc2cccnc2s1)C(C)C 835200958 REMDAMRONFWBJX-LBPRGKRZSA-N 273.357 3.501 30 20 CHED C=CC[C@@H](C(=O)OCCc1ncccc1C)c1ccccc1 835578140 YNYKMLITEIZSML-QGZVFWFLSA-N 295.382 3.836 30 20 CHED C=C[C@](C)(CCOC)C(=O)OC[C@H]1CCCCC1(F)F 835644435 XGPYRVIPISMGPW-TZMCWYRMSA-N 290.350 3.584 30 20 CHED C=CCN(C(=O)NCC1(CC=C)CCCC1)C(C)C 838698023 KXKBOFHFDRNMMQ-UHFFFAOYSA-N 264.413 3.729 30 20 CHED CSc1ccc(C)c(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1 839041478 BOLVQGQJLIGJSY-STQMWFEESA-N 289.400 3.956 30 20 CHED C#CCC[C@@H](C)OC(=O)c1cc(F)c(Cl)cc1F 839043659 UGFSIZVBCLTGHG-MRVPVSSYSA-N 272.678 3.577 30 20 CHED Cc1c(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)oc2ccccc12 839044156 PKURICJOULZZEO-CHWSQXEVSA-N 283.327 3.980 30 20 CHED CC(C)(C(=O)O[C@H]1CCC[C@H](C#N)C1)C1CCCC1 839450247 RKQGWVPBIUIEPB-JSGCOSHPSA-N 263.381 3.828 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(F)c(Cl)c2F)C1 839451726 ZQRAOMQNGWNDFD-DTWKUNHWSA-N 299.704 3.857 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(SCCOC)cc1 839541044 ZMMLQDCLJKGROA-LBPRGKRZSA-N 285.840 3.828 30 20 CHED O=C(/C=C\c1cccc(OC2CCCC2)c1)c1ncccn1 840722724 NRTACMFSKGFBMW-KTKRTIGZSA-N 294.354 3.694 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C=C1CCCCC1 841371093 VNAKVSCKNNSZOW-SFHVURJKSA-N 294.398 3.942 30 20 CHED Cc1cc(/C=C2\CCc3ccc(Cl)cc3C2=O)n(C)n1 841485673 OKAHCMMNTVBXRX-XYOKQWHBSA-N 286.762 3.594 30 20 CHED Cn1cc(NN=C2CC[C@H](c3cccc(Cl)c3)C2)cn1 841635559 NGNPTQUCNFHNPD-LBPRGKRZSA-N 288.782 3.809 30 20 CHED C#CCCCCNC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 842180090 JGRAGMMZBJLDNN-LSDHHAIUSA-N 278.440 3.646 30 20 CHED CCCON=Cc1csc(COc2ccc(C)cc2)n1 842558569 YONPMZOSPHOYNE-UHFFFAOYSA-N 290.388 3.791 30 20 CHED CCCN(Cc1cc(Cl)ccc1OCC#N)C(C)C 847034503 VOBGZWFRQGVMGO-UHFFFAOYSA-N 280.799 3.863 30 20 CHED C=CCN(C(=S)Nc1cc(C)ccc1C)[C@H](C)COC 849277478 YVSMRLQBKGDPAZ-CQSZACIVSA-N 292.448 3.523 30 20 CHED CC1(C)C[C@]1(C(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 850755544 GBFFBRRXYLXUIM-HNAYVOBHSA-N 290.366 3.626 30 20 CHED C#CCCCNc1nc(C(F)F)nc2ccc(F)cc12 853388259 GOGNFXHPBSWVNV-UHFFFAOYSA-N 279.265 3.532 30 20 CHED C=CCCC(CC)=NNc1ccc([N+](=O)[O-])cc1F 853397068 VGHFCZXPVDFWGJ-UHFFFAOYSA-N 265.288 3.878 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)c1cc(C#N)ccc1F 854749538 HVBVIXOAHLCEIX-LBPRGKRZSA-N 274.339 3.562 30 20 CHED C#CCCCCCC(=O)N[C@@H](CC)Cc1ccc(F)cc1 855214498 ZDFQBKISCJKGBE-KRWDZBQOSA-N 289.394 3.847 30 20 CHED C=CCCONC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 856028743 NSTOPQXQEXIDEA-ZDUSSCGKSA-N 299.370 3.576 30 20 CHED CC(=NNc1ncc(Cl)cn1)c1csc(C(C)C)n1 857221101 UQLVHJVLCVFKMN-UHFFFAOYSA-N 295.799 3.546 30 20 CHED C=CCN(C(=O)c1ccnc(C(F)(F)F)c1)C(C)(C)C 857654478 TUDDKNHATXWHIF-UHFFFAOYSA-N 286.297 3.527 30 20 CHED C#CC[C@H](CCOC)NCc1cc(-c2ccccc2)cs1 858334351 UGNWUQJWHFYYTA-QGZVFWFLSA-N 299.439 3.933 30 20 CHED CCN(C(=O)Nc1cc(C#N)c(F)cc1F)C1CCCC1 880712364 KWIBFBWLMXOQJI-UHFFFAOYSA-N 293.317 3.633 30 20 CHED CC(C)c1cc(NC(=O)C2(C#N)CCCCC2)ccc1O 882657264 LEOMOPFQDIXXIV-UHFFFAOYSA-N 286.375 3.928 30 20 CHED C=C1CC(c2noc([C@@H](C)Oc3cccc(C)c3)n2)C1 896890295 JCWJQWPCZZTQCB-GFCCVEGCSA-N 270.332 3.952 30 20 CHED COC1(CN[C@H](C)CC(C)(C)C#N)CCCCCC1 898259009 AOGKGXPVDLSFSL-CQSZACIVSA-N 266.429 3.644 30 20 CHED CSc1ccc(C(=O)/C=C\c2cn(C)nc2C2CC2)cc1 899343103 OAAXNRHUBVEDQP-YFHOEESVSA-N 298.411 3.916 30 20 CHED Cc1cccc(F)c1NN=Cc1c(C)nn(C(C)C)c1C 901220958 RVEOIEZPQJPXHG-UHFFFAOYSA-N 288.370 3.974 30 20 CHED Cc1sc(NC(=O)CCC2(C)CC2)c(C#N)c1C 901290252 UWLJPACDMOARDJ-UHFFFAOYSA-N 262.378 3.755 30 20 CHED C#Cc1ccccc1CC(=O)OCCCCC1(C#N)CCC1 909330374 MDVYFAUTMAEBRW-UHFFFAOYSA-N 295.382 3.618 30 20 CHED C=CCN(C(=O)c1csc(-c2ccccc2)n1)C(C)C 914682861 MHOOMFBNACQSOD-UHFFFAOYSA-N 286.400 3.847 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H](CC)c2ccccc2)c1 915340142 CBXWUYDHUUKDTG-MRXNPFEDSA-N 292.382 3.983 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)c1ccc[nH]1 916545439 JAMBPDYAOCLCRV-UHFFFAOYSA-N 268.345 3.584 30 20 CHED C=C(Cl)COC(=O)CCCOc1ccc(Cl)cc1 917318645 WUCAOOMKLFJMTA-UHFFFAOYSA-N 289.158 3.795 30 20 CHED C[C@@H]1CCC[C@H](CNc2snc(Cl)c2C#N)C1 919802335 LXLZKIKIKVZOQB-BDAKNGLRSA-N 269.801 3.906 30 20 CHED CC[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](C#N)C1 932147970 JQKATMMBBHTUDG-NHYWBVRUSA-N 264.319 3.651 30 20 CHED CCN(CCC#N)C(=O)Nc1cccc(OC(C)(C)C)c1 934051594 CMTFTYUUNDNCLZ-UHFFFAOYSA-N 289.379 3.631 30 20 CHED CC#CCCCc1nnc(COc2ccc(Cl)cc2)o1 1118423559 MQISALVDDSGUCJ-UHFFFAOYSA-N 290.750 3.648 30 20 CHED C[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CC#N)C1 1118771705 NHCLRZIPMMVNDT-ZBFHGGJFSA-N 276.424 3.745 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(Cl)cs1 1120813664 JWCBAAUWNCGVFG-NSHDSACASA-N 269.797 3.972 30 20 CHED C[C@H](CC(=O)Nc1cc(C#N)c(F)cc1F)c1ccco1 1132470945 YDDDOCNLZDLKRS-SECBINFHSA-N 290.269 3.562 30 20 CHED CCCC[C@H](C(=O)N(CC)[C@H](C#N)CC)C(C)C 1134426217 XKYXICFWRXYMKO-KBPBESRZSA-N 252.402 3.599 30 20 CHED CO[C@H](CC(C)C)CN(Cc1ccc(C#N)cc1)C(C)C 1167248061 IPEUANYGORDIOM-GOSISDBHSA-N 288.435 3.830 30 20 CHED N#CC1(CN2C[C@H]3CCCC[C@@]32c2ccccc2)CC1 1254177657 LRPROPNZBZMBKO-SJLPKXTDSA-N 266.388 3.691 30 20 CHED Cc1ccc2oc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)cc2c1 1263379868 YQKIHAWZFSZMOR-DGCLKSJQSA-N 269.300 3.590 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)s1 1275984363 XBNVMLMMUUBJEJ-OLZOCXBDSA-N 290.432 3.956 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N1CCC[C@H](C)CC1 1301037332 TVORFJSTIJIJFW-NSHDSACASA-N 294.830 3.534 30 20 CHED Cc1csc(CCC/N=C/c2cc(Cl)ccc2O)n1 1318207016 GUKLCOXDBVZMKZ-LZYBPNLTSA-N 294.807 3.862 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NCCCCC#N 1318506857 GTQSGNLLFQSZCV-OAGGEKHMSA-N 293.455 3.688 30 20 CHED N#Cc1cccc(CSCc2cn3ccccc3n2)c1 1319016847 OEWCUKKOBGLWFX-UHFFFAOYSA-N 279.368 3.639 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)C(=O)CC#Cc1ccccc1 1319203561 JMRWRPCUUVRZIP-OAHLLOKOSA-N 295.357 3.787 30 20 CHED C[C@@H](OCCCNc1cccc(CC#N)n1)c1ccccc1 1319279058 UNDYXGLEPCKVCJ-OAHLLOKOSA-N 295.386 3.727 30 20 CHED N#Cc1ccn(Cc2cnc(-c3ccccc3)s2)c1 1319704924 APSIRKQTIMAQHL-UHFFFAOYSA-N 265.341 3.532 30 20 CHED C=CCCCCNC(=O)NCc1cccc(Cl)c1F 1320342379 UTXLYYHQZHLFMI-UHFFFAOYSA-N 284.762 3.635 30 20 CHED CCCOc1cccc(CCNc2cccc(CC#N)n2)c1 1320364354 MAIBCWGWEZFWFF-UHFFFAOYSA-N 295.386 3.591 30 20 CHED C#C[C@@H](C)Nc1nnc(-c2ccccc2)cc1C(F)(F)F 1320369871 DATDCVGTKQDAJD-SNVBAGLBSA-N 291.276 3.596 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc2ccccc2s1 1321624575 DEQKVUJSACIRBW-AAEUAGOBSA-N 261.390 3.753 30 20 CHED Cc1cc([C@H](C)NCc2cccc(OCC#N)c2)oc1C 1321702364 YEMHUBTVRCQYMZ-ZDUSSCGKSA-N 284.359 3.650 30 20 CHED C#CCCCCc1nnc(COc2cc(C)ccc2C)o1 1322076997 XWJYEZWUGGKWQK-UHFFFAOYSA-N 284.359 3.611 30 20 CHED Cc1ccccc1[C@H]1CCN(C(=O)c2csc(C#N)c2)C1 1324358043 ZNOMZASGTYWGPV-ZDUSSCGKSA-N 296.395 3.558 30 20 CHED CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1cccc(OCC#N)c1 1326916223 REMQRKIUFHYYBI-QGPMSJSTSA-N 286.419 3.893 30 20 CHED CCC(C)(C)Cc1nnc(-c2ccc(C#N)cc2)o1 1326932833 TWTCPIHCWZIBCJ-UHFFFAOYSA-N 255.321 3.587 30 20 CHED C=CCC(C)(C)CNC(=O)c1ncc(Cc2ccccc2)o1 1328720619 CKOCMGCAXMIOHL-UHFFFAOYSA-N 298.386 3.598 30 20 CHED CC[C@H](F)C(=O)Nc1cc(C(C)(C)C)sc1C#N 1337466168 FLPJNWBZLDLOJR-QMMMGPOBSA-N 268.357 3.604 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 1338852965 UAHCPQPSMCYOHD-ZBFHGGJFSA-N 257.377 3.747 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2cnc(Cl)cc2C#N)CC[C@H]1C 1340723299 YQKNBZPFMZGPRX-VWYCJHECSA-N 291.782 3.617 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N(C)c1ccccc1 1342744366 WVMSGWDCENCPIQ-UHFFFAOYSA-N 278.306 3.560 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(C)nc1Cl 1345889229 APWONQMVPQCJLP-JTQLQIEISA-N 281.787 3.910 30 20 CHED Cn1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c1-c1ccccc1 1347230365 GDAYNCASLHSXNZ-UKRRQHHQSA-N 294.354 3.541 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCCc2ccc(C#N)cc2)C1 1461626611 CZEVIHKQIUBJQC-MSOLQXFVSA-N 270.420 3.905 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(/C=C/c2ccccc2)cs1 1465081917 VFOJWVSJTRBFIF-XEHSLEBBSA-N 297.383 3.802 30 20 CHED CC[C@H](NC(=O)Nc1cccc(C#N)c1)[C@@H]1CC1(C)C 1465139606 CHLYPWKXDPQKCD-KBPBESRZSA-N 271.364 3.504 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 1465800445 OGKGMEJQOQSEQE-RISCZKNCSA-N 289.354 3.788 30 20 CHED C[C@H]1C[C@@H](N2CC[C@](F)(C#N)C2)c2ccsc2S1 1474444945 SZOOWBDOUUNYTI-NDMJEZRESA-N 282.409 3.611 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1csc(C#N)c1 1520689600 OSEMMZOUZGFWNE-BXUZGUMPSA-N 276.405 3.708 30 20 CHED CC(C)(CNC(=O)c1ccc(C#N)cc1)C1CCCCC1 1526192188 YPUGFBKDMZFBLW-UHFFFAOYSA-N 284.403 3.895 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(C)c(C)s1 1526194322 OGHTXVYPQILQLF-UHFFFAOYSA-N 298.367 3.692 30 20 CHED CC(C)(C(=O)O[C@H](CC#N)c1ccco1)c1ccccc1 1526992105 JHZMYRBVZGAJLY-OAHLLOKOSA-N 283.327 3.755 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)cs1 1528980493 OQTJIEUTYUOMEZ-ZIAGYGMSSA-N 290.432 3.956 30 20 CHED CSc1cc(C(=O)Nc2sc(C)c(C)c2C#N)co1 1529477442 DOOOYCTXOQZHTJ-UHFFFAOYSA-N 292.385 3.804 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1cccc2[nH]ccc12 1548693674 KXNBHSNSIPNMFM-UHFFFAOYSA-N 270.376 3.729 30 20 CHED C[C@@H]1C[C@@H](OC(=O)C2(C#N)CCCC2)CC(C)(C)C1 1595391894 IYPWAVZPHFQCBV-CHWSQXEVSA-N 263.381 3.828 30 20 CHED C=C(Br)CNC(C)(C)c1ccc(CC)cc1 1616738461 OLZABWDHOSHRGS-UHFFFAOYSA-N 282.225 3.982 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CSc1cc(C)ccc1C 1617777387 YGONYZMRCBKQKB-AWEZNQCLSA-N 290.432 3.546 30 20 CHED CC(C)C[C@@H](CN1CCCC1)Nc1cccc(F)c1C#N 1639976316 MLUUVRVOBDZURX-AWEZNQCLSA-N 289.398 3.620 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1ccc2c(c1)CCC2 1653102344 SFBNTWRYWRVISU-CYBMUJFWSA-N 256.393 3.766 30 20 CHED N#Cc1nc(NCc2cccc3[nH]ccc23)ccc1Cl 1655789618 QYVJWKBSHZJMGE-UHFFFAOYSA-N 282.734 3.700 30 20 CHED C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(C#N)c1 1673022233 OPICNRYTQILTQG-LBPRGKRZSA-N 299.399 3.715 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 1679985400 KGJHAPZYKXKFPP-JKIFEVAISA-N 286.419 3.824 30 20 CHED C=C(Cn1c(C(C)C)nnc1N(CC)CC)c1ccccc1 1690321862 NJJSHKYIZXMWLW-UHFFFAOYSA-N 298.434 3.961 30 20 CHED O=C(O)c1cc(NN=C2C[C@H]3CC[C@@H](C2)C3)ccc1F 1776063691 CTQANFUVNNKTBI-AOOOYVTPSA-N 276.311 3.502 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1ccsc1 1776086920 WYFWYKAZRZSGCJ-UHFFFAOYSA-N 274.345 3.591 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)o2)cs1 1777417982 KUAFOFMUPBPLFH-YDFGWWAZSA-N 288.324 3.643 30 20 CHED N#Cc1ccc(NC(=O)/C=C/c2cccs2)cc1Cl 15599511 XWECOAYRBURCKT-AATRIKPKSA-N 288.759 3.925 30 20 CHED C[C@H](CCc1ccccc1)NCc1ccc(C#N)cc1 20138467 QHILBHXUTCHQHG-OAHLLOKOSA-N 264.372 3.669 30 20 CHED C[C@@H](CCc1ccco1)N[C@@H](C)c1ccc(C#N)cc1 20144709 AXGZZIYANAEVHH-KBPBESRZSA-N 268.360 3.823 30 20 CHED C#CCOc1ccccc1CNc1ccc2c(c1)CCC2 21515169 DMYSNTDWGCEKFD-UHFFFAOYSA-N 277.367 3.799 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1(C)C 26124140 UQSPDNBLNOZTDZ-IAOVAPTHSA-N 296.414 3.974 30 20 CHED O=C1/C(=C/c2ccsc2)COC/C1=C\c1ccsc1 33724549 HXTDNVRNPLUCTA-ACFHMISVSA-N 288.393 3.876 30 20 CHED C=C(C)CN(CC)C(=O)Cc1nc(-c2ccccc2)oc1C 42621185 YOQPPLXKBWDLEU-UHFFFAOYSA-N 298.386 3.617 30 20 CHED N#CC1(C(=O)N2CCC[C@H]3CCCC[C@H]32)CCCCC1 44385634 OWXMMZVOZCUKSW-HUUCEWRRSA-N 274.408 3.642 30 20 CHED COc1cccc(CNc2ccc(Cl)cc2C#N)c1 52857192 YPKYXLBMDKDZOU-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C=C(C)CN(CC)C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 55206890 LRDMSDHTEHHUGD-ZFWWWQNUSA-N 275.392 3.760 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc(O)c(OC)c2)c1 65691633 OEGLELZAIVUBDL-VQHVLOKHSA-N 298.338 3.696 30 20 CHED CC(C)c1ccc(/C=N/OCc2noc(C3CC3)n2)cc1 67097296 ZFJAEABMKFXVDX-RQZCQDPDSA-N 285.347 3.621 30 20 CHED Cc1ccc(-c2ccsc2C(=O)N(C)C[C@H](C)C#N)cc1 68226103 YAYYDQQKAGEKKY-CYBMUJFWSA-N 298.411 3.955 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H](C)c2cccc(F)c2)n1 76763631 GOHQIOHEMRRFBJ-GXFFZTMASA-N 288.347 3.571 30 20 CHED N#Cc1cccnc1NCCc1csc2ccccc12 76839906 UASWHRJEQVHCHJ-UHFFFAOYSA-N 279.368 3.823 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 77005059 RHMBAJCMFPCVMM-CKNFYHOISA-N 296.414 3.687 30 20 CHED CC1(C)[C@@H](/N=C/c2c(O)ccc3ccccc23)[C@H]2CCO[C@@H]21 78052678 UXYMZXLCDKUGET-BDKJESFYSA-N 295.382 3.778 30 20 CHED CC(C)c1ccc(CCC(=O)N(C)[C@H](C)CC#N)cc1 78420915 PHKKUKYXIBQPIU-CQSZACIVSA-N 272.392 3.503 30 20 CHED CCn1c(COc2cccc(C#N)c2)nc2c(F)cccc21 78481840 WRHTVRYFCWVEHD-UHFFFAOYSA-N 295.317 3.646 30 20 CHED N#Cc1cccc(N2CCC3(CCCCC3)CC2)n1 80119034 LQXRHWRVOHQNFO-UHFFFAOYSA-N 255.365 3.504 30 20 CHED CC(C)[C@@H](NCCCSCC#N)c1ccc(F)cc1 80722119 WCAUPOUHOFBKPX-OAHLLOKOSA-N 280.412 3.759 30 20 CHED CSCc1cccc(NC(=O)c2cc(C#N)cs2)c1 84109389 IWVOAUYDYLIKPB-UHFFFAOYSA-N 288.397 3.735 30 20 CHED CCOc1cccc(CN(CCC#N)CCC(C)C)c1O 93100850 FXFAFBBFXUJSGU-UHFFFAOYSA-N 290.407 3.553 30 20 CHED C=CCc1cc(CN(C(C)C)C2CCC2)cc(OC)c1O 93608305 HNXGYXRBZBAQGK-UHFFFAOYSA-N 289.419 3.892 30 20 CHED CN(Cc1cccc(C#N)c1)C1CCC(C)(C)CC1 94859564 FVOHUEINQGUQAS-UHFFFAOYSA-N 256.393 3.959 30 20 CHED C=CCC[C@H](C)NCc1cc(Br)cs1 96034294 RZHIGCXUJNQWCH-VIFPVBQESA-N 274.227 3.955 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@@H](C)C1CCCCC1 101516663 JDEAMTJJDBZZGT-CJNGLKHVSA-N 264.413 3.647 30 20 CHED C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 104996984 MMUJHGCJVHXNQC-IUODEOHRSA-N 285.391 3.798 30 20 CHED C[C@H]1C[C@H]1NCc1cccc(OCc2ccccc2C#N)c1 109015650 WVWRKMRRZRCPPE-IFXJQAMLSA-N 292.382 3.635 30 20 CHED N#Cc1ccc(-c2nc(C3CCCCC3)no2)cc1 109529063 HKFOAWBABZTDPR-UHFFFAOYSA-N 253.305 3.656 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@@H](C)Cc2ccccc21 110250616 YHRRLNCMRHWNKW-ZDUSSCGKSA-N 270.376 3.542 30 20 CHED C=CC[C@H](C)NC(=O)CCSc1ccccc1Cl 116856487 DFYQQUGGWRZXMO-NSHDSACASA-N 283.824 3.903 30 20 CHED N#CCC[C@@H](C#N)COc1ccc2ccccc2c1 119248027 WHFZDNDJPYIDAV-ZDUSSCGKSA-N 250.301 3.662 30 20 CHED C=CCC[C@@H](NC[C@H](OC)c1ccccc1)C1CC1 120403156 DRDXKRVKLRTTED-SJORKVTESA-N 259.393 3.709 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C2=CCCC2)n1 121738882 LSAHQBCIMDZNMO-LLVKDONJSA-N 260.362 3.553 30 20 CHED C#CCNC(=O)[C@@H](C)S[C@@H](C)c1ccc2ccccc2c1 122246398 FYAAOYIOBUQSAZ-UONOGXRCSA-N 297.423 3.772 30 20 CHED CCc1nnc(Sc2cccc(OC)c2)c(C#N)c1CC 125401426 PINQHEBAVRMBTI-UHFFFAOYSA-N 299.399 3.633 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCc1ccc(F)cc1 128189160 ADUBICMELDTBBO-ZDUSSCGKSA-N 293.407 3.648 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)Nc1ccsc1 129440191 HTZOLHNHTNQIAS-UHFFFAOYSA-N 289.356 3.574 30 20 CHED C#Cc1cccc(NCc2c(Cl)nc3ccccn23)c1 130469345 DDVNRVLYANVHAJ-UHFFFAOYSA-N 281.746 3.581 30 20 CHED CCC[C@H](C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 130953431 YFNQJDDTBSFVPK-LBPRGKRZSA-N 274.364 3.720 30 20 CHED CCCN(CCC(C)(C)C#N)Cc1ccc(C#N)cc1 131119383 UURXXWUGAROCIN-UHFFFAOYSA-N 269.392 3.710 30 20 CHED CN(C)c1cccc([C@@H]2CCCN2CCC(C)(C)C#N)c1 131722287 KSYSGTXRPXYXHV-KRWDZBQOSA-N 285.435 3.829 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 131793636 JXBRPZHHLYXVGT-OAHLLOKOSA-N 271.364 3.601 30 20 CHED CCC(N)(CC)CNc1ccc(C(F)(F)F)cc1C#N 133494350 XOFXUWWGRNKOSS-UHFFFAOYSA-N 285.313 3.506 30 20 CHED C=CCC[C@H](NC(=O)c1ccco1)c1ccccc1 133948734 LRVAAINSJFWEJD-AWEZNQCLSA-N 255.317 3.717 30 20 CHED CCC[C@H](C(=O)Nc1ccc(CC#N)cc1)C(C)C 134108026 SWHZPBBNNVTEES-HNNXBMFYSA-N 258.365 3.763 30 20 CHED COCCOCc1cccc(NCC(C)(C)CCC#N)c1 135158766 QAUCKCZFQUJKEG-UHFFFAOYSA-N 290.407 3.591 30 20 CHED C#CCCCCNCc1ccc(OC(F)F)c(OCC)c1 150738417 ZYVUTRJPFJCWQZ-UHFFFAOYSA-N 297.345 3.580 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1cc(F)ccc1C 151961496 XFHVGTZRUXRFRJ-LLVKDONJSA-N 267.369 3.770 30 20 CHED C=CCC[C@H](CC)NC[C@H](c1ccco1)N1CCCC1 152288795 OOZIKPIWSDVNBW-JKSUJKDBSA-N 276.424 3.751 30 20 CHED C[C@H]1CCC[C@H](CC(=O)NC2(C#N)CCCCC2)C1 154097897 FJONBBFVKSXFJT-KBPBESRZSA-N 262.397 3.545 30 20 CHED CCN(CC#N)C(=O)c1cc(C(C)C)cc(C(C)C)c1O 154989858 UGYBQRSOFXGJNY-UHFFFAOYSA-N 288.391 3.625 30 20 CHED Clc1cccc(C#CCNc2ccc3c(c2)COC3)c1 155545925 REGWHKXMICPCIF-UHFFFAOYSA-N 283.758 3.834 30 20 CHED C=C[C@@H](C)NC(=O)c1sccc1-c1ccccc1 155841473 GSMZDLGYXIQFDU-LLVKDONJSA-N 257.358 3.719 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(OC(C)(C)C)cc1 156107712 RIBAZBHCDPIDPE-GFCCVEGCSA-N 289.379 3.678 30 20 CHED CCCCCC[C@@H](C)CC(=O)NC1(C#N)CCSCC1 162746307 XJDJKDFDBSDNHP-CQSZACIVSA-N 296.480 3.889 30 20 CHED N#Cc1ccc(COc2cccc(F)c2C#N)c(Cl)c1 162983296 AFIRBXQFPQKJJO-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CCn1cc(/C=C2/CCc3cc(SC)ccc3C2=O)cn1 171806285 VPIXJISGFSOJEB-ZSOIEALJSA-N 298.411 3.837 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccoc1 171819287 JPDHRQYVDZJYPH-UHFFFAOYSA-N 285.253 3.590 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2ccc(F)cc2F)cn1 171981638 VYLUYLBJLDAFFU-ZZXKWVIFSA-N 276.286 3.638 30 20 CHED N#Cc1ccc(OCCSc2ccccc2C#N)cc1 172680893 LAOFQVVDOQYOHD-UHFFFAOYSA-N 280.352 3.601 30 20 CHED CC(C)[C@@H](C)S[C@H](C)C(=O)Nc1cccc(C#N)c1 172967634 XBPLBCAYDCUXKB-VXGBXAGGSA-N 276.405 3.663 30 20 CHED CCCCCCCC(=O)NCc1cc(C#N)ccc1F 174423074 RAYVZVAYOINHSW-UHFFFAOYSA-N 276.355 3.674 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccncc1Cl 174876221 UVXHVGBOSGDJIW-UHFFFAOYSA-N 279.815 3.887 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1)C2 176937746 GVFVVBRVSKXSGC-JYRVWZFOSA-N 268.287 3.657 30 20 CHED CCC(CC)S[C@@H]1CCN(c2sccc2C#N)C1=O 176939659 FVJDXVJYWADJSQ-GFCCVEGCSA-N 294.445 3.647 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc(C)c(C)c2)CC1 177907890 RNLHZJVKTJFNAW-MRXNPFEDSA-N 272.436 3.604 30 20 CHED CCCOc1cccc(C(=O)Nc2cccc(C#N)c2C)c1 178380743 AMJASXYCIKKIOF-UHFFFAOYSA-N 294.354 3.908 30 20 CHED Cc1nccn1-c1ccc([C@H](C)NCCCCC#N)cc1 178645446 SWVVMEKLENPKFT-AWEZNQCLSA-N 282.391 3.525 30 20 CHED C#CCCCCC(=O)Nc1ccccc1N1CCCCC1 179628200 WGJOZMOKOYGWAI-UHFFFAOYSA-N 284.403 3.809 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)C2(c3ccccc3)CCCC2)C1 179926635 YWWRSYZSQQXRRS-HOCLYGCPSA-N 283.371 3.734 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCc3nccs3)c2c1 180407303 WHDYLJRYDDOMDM-UHFFFAOYSA-N 294.383 3.792 30 20 CHED C=CCSCCNC(=O)c1cc(C)c(C)cc1Cl 180628351 MHRNNKSKSWFPAR-UHFFFAOYSA-N 283.824 3.606 30 20 CHED CS[C@H]1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 181768583 SWBKHARZPMUKLB-RCBQFDQVSA-N 274.433 3.883 30 20 CHED Cc1ccccc1[C@H](NC(=O)NC[C@@H](C)C#N)C(C)(C)C 182705303 HWKAMWYHQLMARG-WFASDCNBSA-N 287.407 3.541 30 20 CHED Cc1cc(CNC(=O)c2cccc(CC#N)c2)ccc1Cl 184720531 WSHFQXBDFJQJKP-UHFFFAOYSA-N 298.773 3.645 30 20 CHED C#CCC(C)(C)c1nc(CCCc2ccccc2)no1 184867672 GYHCOJPSPDECJI-UHFFFAOYSA-N 268.360 3.546 30 20 CHED N#CCCCCSc1ccc([N+](=O)[O-])cc1F 185147831 QUCHHJBJCHFFTA-UHFFFAOYSA-N 254.286 3.520 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2cnc(C)o2)cc1 185158763 YCEABFJUYSNAPR-UHFFFAOYSA-N 282.343 3.782 30 20 CHED COc1ccc(F)cc1[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 185783985 FIWLADCLMTYART-MBNYWOFBSA-N 276.355 3.567 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)cc2C#N)cc1 187703974 NCZPSOPQQMCLFJ-UHFFFAOYSA-N 267.719 3.695 30 20 CHED C[C@H](CCC#N)Sc1nncn1-c1cccc(Cl)c1 188252661 UJLOGWMLERIDGX-SNVBAGLBSA-N 292.795 3.705 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 189204390 GBVMCLLDHOYURS-RLFYNMQTSA-N 289.419 3.524 30 20 CHED C=C(C)[C@@H](NCc1cnoc1C)c1ccc(F)c(F)c1 189590101 WKMLXMQTPPRQJC-OAHLLOKOSA-N 278.302 3.668 30 20 CHED C=CCCOCCN[C@@H](C)c1csc(Cl)c1 191396341 MZAQKUSATRMGEQ-JTQLQIEISA-N 259.802 3.645 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 192124173 WAJGDZWYTSRDBA-AWEZNQCLSA-N 297.402 3.598 30 20 CHED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)s1 193049841 DUAAFAUXZOZUMN-UHFFFAOYSA-N 296.395 3.733 30 20 CHED CSc1ccccc1C(=O)/C=C/c1cccnc1 194594908 HAYBZZWOVCAVAV-CMDGGOBGSA-N 255.342 3.700 30 20 CHED CC(C)(CCC#N)COC(=O)[C@@H]1C[C@@]12CCc1ccccc12 195063771 YZNGKFPHRYOUJZ-QFBILLFUSA-N 297.398 3.764 30 20 CHED COc1cccc(/C=C\C(=O)c2sccc2OC)c1 222637869 NSGOJDKPMARHCZ-SREVYHEPSA-N 274.341 3.661 30 20 CHED Cc1ccc(F)cc1OCc1cc(F)ccc1C#N 230402921 JXOVDGUADOJZJW-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC(C)(C#N)CCCCSc1nnnn1C1CCCC1 232525614 AEXCHFWYIMVXHG-UHFFFAOYSA-N 293.440 3.600 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(F)c2ccccc12 233358236 ZGGKBUUYWABZTP-GFCCVEGCSA-N 269.319 3.511 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NCc2ccc(C#N)cc2)c1 237482189 FMKLZLXONMKNCG-MRXNPFEDSA-N 278.399 3.896 30 20 CHED N#CCC1(COC(=O)/C=C\c2ccc(Cl)s2)CC1 255687048 PURLFMZXQSFIMC-RQOWECAXSA-N 281.764 3.652 30 20 CHED N#CCOc1ccc(CN[C@H]2CCc3c(F)cccc32)cc1 267093685 XTLQXNPDTDELJD-SFHVURJKSA-N 296.345 3.505 30 20 CHED C=C1CCN(C(=O)c2ccc(C)cc2Br)CC1 269935560 HWMKXCYSRBXLCQ-UHFFFAOYSA-N 294.192 3.550 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC[C@@H]1c1cccs1)OCC 270019785 AILJKUGYXNRLQG-KGLIPLIRSA-N 293.432 3.783 30 20 CHED N#CCc1ccc(C(=O)N[C@H]2CCCc3sccc32)cc1 274336347 OJRUJKGDISUFIF-HNNXBMFYSA-N 296.395 3.622 30 20 CHED CC#CCCCC(=O)Nc1ccc(C)cc1NCC 276633054 ORLPMUUVZZYSPG-UHFFFAOYSA-N 258.365 3.559 30 20 CHED C#CCCCC(=O)N1CCCC[C@@H]1c1ccccc1 277367165 BOCGJVLZDNAWGH-MRXNPFEDSA-N 255.361 3.544 30 20 CHED CCCCCCCCOCc1nc(-c2ncoc2C)no1 278177043 LJAVPEPWFQCHEU-UHFFFAOYSA-N 293.367 3.910 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 279673425 GDRJZSLGOBRAEN-DOXZYTNZSA-N 294.398 3.985 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@@H](C)c2ccccc21 280662640 XMYKEOAMCRRNPK-LLVKDONJSA-N 280.327 3.614 30 20 CHED Cc1coc(C)c1C(=O)N[C@](C)(C#N)CCc1ccccc1 283851761 GQMXRQPBRPLWNO-SFHVURJKSA-N 296.370 3.541 30 20 CHED N#Cc1cc(NC[C@H]2CCCO[C@H]2c2ccccc2)ccn1 283894508 VWYWAWVUTYZUIE-QAPCUYQASA-N 293.370 3.533 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1occc1C(C)C 284590854 GVMKJDCTRRAXKP-UHFFFAOYSA-N 276.380 3.947 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccc(C(C)C)cn1 290497533 UHIJTPXBWCRXDZ-UHFFFAOYSA-N 287.407 3.607 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nccc2ccccc12 290608253 HSNLFNNKUCQRSF-ALKREAHSSA-N 296.414 3.867 30 20 CHED N#CCCCC(=O)OCc1cc2ccccc2s1 291188304 JDZLXZWKZJJNJN-UHFFFAOYSA-N 259.330 3.638 30 20 CHED C=Cc1ccc(CCN[C@H]2CCC[C@@H](C#N)C2)cc1 291226101 NTPDFRNFVDTYIA-SJORKVTESA-N 254.377 3.544 30 20 CHED Cc1ccc(C2(CNC(=O)CCCC#N)CCC2)cc1C 291853758 GTFBNXADLZKFBV-UHFFFAOYSA-N 284.403 3.535 30 20 CHED C=CCC[C@H](NCc1oc(CC)nc1C)c1ccco1 291943649 QCPOOPCHJHBMOR-ZDUSSCGKSA-N 274.364 3.936 30 20 CHED CC(=O)c1cccc(CN(CCC#N)CC(C)(C)C)c1 294925761 IRZVYXLJDGMVPV-UHFFFAOYSA-N 272.392 3.651 30 20 CHED Cc1ccc(N(C(=O)c2ccc(C#N)c(C)n2)C(C)C)cc1 299695147 SRAHADXQYNQWNQ-UHFFFAOYSA-N 293.370 3.625 30 20 CHED Cc1cc(CNc2c(F)cc(C#N)cc2F)ccc1F 301063139 CFDWQZGPFSXGKN-UHFFFAOYSA-N 276.261 3.896 30 20 CHED CC(C)c1ccc(CN(C)c2cccc(C#N)n2)cc1 301281900 OOJCCWGZKLXOHA-UHFFFAOYSA-N 265.360 3.713 30 20 CHED CCOc1ncccc1CNc1c(Cl)cccc1C#N 301347574 HROZGOVGXLZQLY-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CCCCOc1cccc(CNc2ccc(C#N)nc2)c1 301515041 LLVOTXXCAZPTNI-UHFFFAOYSA-N 281.359 3.744 30 20 CHED C[C@H]1CCC[C@@H](C)N(c2ccc(Cl)c(C#N)n2)C1 301588436 PVRYYSBIUYTXHV-WDEREUQCSA-N 263.772 3.622 30 20 CHED CCN(CCC#N)c1cc(C(C)(C)C)nc(C(C)C)n1 302780359 RHATUYQDUGPTMF-UHFFFAOYSA-N 274.412 3.637 30 20 CHED CCC(CC)[C@@H]1C[C@@H](Nc2c(C#N)cccc2C#N)CCO1 302904219 UYYSURWMXAFCDF-IRXDYDNUSA-N 297.402 3.826 30 20 CHED C=CCC(C)(C)CNCc1cnc(C)n1-c1ccccc1 315273484 UZRUJPALZHQXGJ-UHFFFAOYSA-N 283.419 3.873 30 20 CHED N#Cc1ccc(Oc2ccc([N+](=O)[O-])c3ccccc23)nc1 315821593 LAALHXAPMQLSLA-UHFFFAOYSA-N 291.266 3.807 30 20 CHED COc1cc(CN2CCCc3ccccc3C2)ccc1C#N 319833823 FRELGNKHLMIXCO-UHFFFAOYSA-N 292.382 3.515 30 20 CHED CCc1nnc(C)cc1/C(O)=N/CCC1CCCCC1 329507314 JAVRASUZDQGNFE-UHFFFAOYSA-N 275.396 3.622 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CC1(C)CCCCC1 330400852 SVCSHXJMUNPYRP-INIZCTEOSA-N 264.413 3.791 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/[C@@H](C)C(C)C)c1C 331096708 ARPJZTJNQDLTPB-QWRGUYRKSA-N 266.389 3.533 30 20 CHED COc1cccc(F)c1N/C(O)=N/[C@H]1CC[C@H](C)CC1 331099011 CDOFLRGNNKPDSV-XYPYZODXSA-N 280.343 3.739 30 20 CHED CCCC(C)(C)/N=C(/O)c1cc(C(C)=O)c(C)nc1C 331155861 VQIVGIJTYDZJHH-UHFFFAOYSA-N 276.380 3.784 30 20 CHED CC(C)(C#N)C(=O)N1CCC(c2cccc(Cl)c2)CC1 335741947 IDXPRFDDAAVJDA-UHFFFAOYSA-N 290.794 3.596 30 20 CHED N#CCC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 335976473 OWQCKAMTAVLZRO-UHFFFAOYSA-N 293.292 3.707 30 20 CHED N#CCc1ccccc1NC(=O)c1cc2c(s1)CCC2 336626318 LSOVDPXJCQELHZ-UHFFFAOYSA-N 282.368 3.555 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)Cc2sccc2C)c1 338640682 BIRWNKUCEWTRMB-UHFFFAOYSA-N 284.384 3.767 30 20 CHED CC(C)c1ccoc1C(=O)N(C)Cc1cccc(C#N)c1 339881972 VOJPUJNKFSYVBB-UHFFFAOYSA-N 282.343 3.547 30 20 CHED CC[C@H](C)[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 341685102 QNGZYUQRYIRBNE-GDZNZVCISA-N 256.393 3.960 30 20 CHED N#CCSCCCNC1(c2ccc(Cl)cc2)CC1 341870956 BTUKIRXCNDXHAW-UHFFFAOYSA-N 280.824 3.566 30 20 CHED C=CCOc1cccc(NC(=O)c2ccccc2NC)c1 342071989 AQPKZZLLEYCDDL-UHFFFAOYSA-N 282.343 3.545 30 20 CHED Cc1ccccc1[C@@H]1CCN(c2snc(C)c2C#N)C1 342098052 UQJPRBJJMMPBQB-CYBMUJFWSA-N 283.400 3.626 30 20 CHED C=CCCOCCCCC(=O)N(C(C)C)C1CCC1 342883643 MMYXNWQZTBKLHG-UHFFFAOYSA-N 267.413 3.539 30 20 CHED N#Cc1ccc(OCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 344722693 QKLRZJDQXSFIIG-COPLHBTASA-N 289.762 3.596 30 20 CHED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)C#N 344901673 FIMKTRVSBKEAGY-LLVKDONJSA-N 298.308 3.602 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 348410533 OQCPIIAUPNULPU-UHFFFAOYSA-N 292.338 3.598 30 20 CHED CC(C)(CCC#N)CNC(=O)NCCC1=CCCCC1 349421917 AWFPLDRGUVAMAB-UHFFFAOYSA-N 277.412 3.506 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(CC)CC1CCC1 350594330 AVTLNHGBUSLIDQ-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED C=C(C)CN(CCSCC)Cc1cnn(C(C)C)c1 352905789 ZMIASRXIRPSSFC-UHFFFAOYSA-N 281.469 3.595 30 20 CHED CCOc1ccc2c(c1)CCN(Cc1cccc(C#N)c1)C2 354126013 HRZUANHGCJRIPN-UHFFFAOYSA-N 292.382 3.515 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCOc3c(C)cccc32)CC1 356989587 AJJYIESEAZXARQ-HNNXBMFYSA-N 285.387 3.681 30 20 CHED CCOc1cc(Cl)ccc1CNc1cccnc1C#N 357472795 KTVYCKADIGGQEZ-UHFFFAOYSA-N 287.750 3.617 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(F)cc2C#N)[C@H](C)C1 360329161 KGVBIOAILMMLSV-HSMVNMDESA-N 260.356 3.612 30 20 CHED COc1cc(C#N)cc(OCCCCOC(C)(C)C)c1 362716603 NMSSHWSMZZNMBQ-UHFFFAOYSA-N 277.364 3.541 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@@H](C)[C@@H]1C 362819125 DFNGZKYTNZFLHL-OLZOCXBDSA-N 275.417 3.835 30 20 CHED C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 373907966 SGXTYFRKNWVRST-VXGBXAGGSA-N 295.835 3.930 30 20 CHED N#CC1(C(=O)N2CCC[C@H](Cc3ccccc3)C2)CCCC1 377228035 YVTVUUURHLUKQZ-QGZVFWFLSA-N 296.414 3.552 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 384908463 CRRPOBFILPFTTJ-LBPRGKRZSA-N 262.353 3.766 30 20 CHED N#CCOc1ccc(NCc2cccc3c2NCCC3)cc1 388098874 WSSDIXAJRSEKOP-UHFFFAOYSA-N 293.370 3.559 30 20 CHED CCc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 389119473 OIJYHXJEUWOUEF-CQSZACIVSA-N 294.398 3.980 30 20 CHED C=CCCC[C@@H](C)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 398131630 VWNQTOBZLOOHHG-CABCVRRESA-N 296.455 3.720 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)c(F)c1 404247960 HDAAVINIILLFNN-MLGOLLRUSA-N 260.356 3.708 30 20 CHED CC(C)(C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1(C)C 408470345 QRGQDHUWYYRPEU-ZDUSSCGKSA-N 287.407 3.563 30 20 CHED CCC(CC)(CC)CNC(=O)c1ncc(C#N)cc1Cl 410569573 UZAJCWAXKWIOMG-UHFFFAOYSA-N 293.798 3.553 30 20 CHED C[C@H](CCC#N)N1CCC(Cc2cc(F)cc(F)c2)CC1 411806618 VRWPNBYNTHBQIC-CYBMUJFWSA-N 292.373 3.912 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)CC(F)F 412300035 QBUBMIPQKJIVND-CYBMUJFWSA-N 281.346 3.883 30 20 CHED C[C@@H](CCC#N)Sc1nccn1Cc1ccccc1 412984886 RONIAAXCCDTGIL-ZDUSSCGKSA-N 271.389 3.716 30 20 CHED CCC1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 413079174 YCGVDPIODOKEIL-UHFFFAOYSA-N 283.297 3.598 30 20 CHED COc1cccc2c(NCC(C)(C)CC#N)nccc12 413402025 FQQLDSGWLRJKSE-UHFFFAOYSA-N 269.348 3.595 30 20 CHED Cc1ccc2c(c1)OCCC[C@@H]2NCC(C)(C)CC#N 414165415 LXJOZVQZHMFZMM-HNNXBMFYSA-N 272.392 3.738 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC1CCSCC1 414291305 BATAVAMTWLIDPQ-INIZCTEOSA-N 261.434 3.659 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[C@@H](N)C1 420293112 XMVKZBRWLNVQHT-ZWNOBZJWSA-N 297.324 3.506 30 20 CHED N#Cc1cncc(N[C@H](c2ccc(Cl)cc2)C2CCC2)n1 420586596 OXXLTPUBOAVOCW-INIZCTEOSA-N 298.777 3.955 30 20 CHED CC[C@@H](C)CNC(=O)N[C@H](CCCC#N)c1ccccc1 420846876 JNARXWCQZCFEIR-GDBMZVCRSA-N 287.407 3.767 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC(F)F)c1ccccc1 422270681 WYPPGMSEFDNEBC-AWEZNQCLSA-N 296.361 3.991 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(OC)cc1Cl 424298347 IPBCGMSKVKOHRE-LBPRGKRZSA-N 283.799 3.592 30 20 CHED C=CCC[C@H](CCC)N[C@@H](C)c1ncc(C(=O)OC)s1 424327899 NEOGNFODLMTGHE-RYUDHWBXSA-N 296.436 3.715 30 20 CHED C=CC1CCN(C(=O)[C@H](CC)Cc2ccccc2C)CC1 424671022 WSHWXLGPGXTPFX-QGZVFWFLSA-N 285.431 3.988 30 20 CHED C=C[C@@H](CC(=O)N[C@@H]1C[C@H]1C1CCC1)c1ccccc1 424973919 AATBNLHODPTDKZ-RRQGHBQHSA-N 269.388 3.651 30 20 CHED C=CCCC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 425119490 NBSIEGOTUVSLDJ-HNNXBMFYSA-N 257.377 3.952 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)c1ccccc1SC 425523760 BCAKAASZHACKHA-UHFFFAOYSA-N 263.406 3.974 30 20 CHED C=C(C)COc1cccc(NC(=O)C2(C)CCC2)c1 426723804 OACONGROYUMPFL-UHFFFAOYSA-N 259.349 3.770 30 20 CHED C=CCC[C@H](C(=O)N=c1cc(C(C)C)[nH][nH]1)c1ccccc1 429016419 BWSYJBDXIHVMKB-HNNXBMFYSA-N 297.402 3.644 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCSC(C)(C)CC1 434380475 SXPGJAQAIXMDPO-CYBMUJFWSA-N 284.469 3.658 30 20 CHED N#Cc1cccc(C2(C(=O)NCCCC3CCCC3)CC2)c1 435016285 NDRLFUOKVDXCEB-UHFFFAOYSA-N 296.414 3.676 30 20 CHED C=C(C)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 441339146 VELXIAINWGNIRH-AWEZNQCLSA-N 278.827 3.595 30 20 CHED C=CCCN1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 441467441 ATWWMNRFETVRNV-KRWDZBQOSA-N 294.389 3.610 30 20 CHED C[C@H](NCCc1ccc2[nH]ccc2c1)c1cccc(C#N)c1 442133671 VWTJHAZZQBBUEZ-AWEZNQCLSA-N 289.382 3.933 30 20 CHED Cc1ccc(C(C)(C)CN[C@H]2CC[C@@H](C#N)C2)cc1 442792602 QTTUVWZBAOKHJZ-ZBFHGGJFSA-N 256.393 3.555 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc3nc[nH]c3c2)CCCC1(C)C 447621435 VNXWDHMPFAYTNT-INIZCTEOSA-N 297.402 3.770 30 20 CHED C=C(C)CCNC(=O)c1cc(SC)ccc1Cl 448550712 IBLBLNFNKIKTBZ-UHFFFAOYSA-N 269.797 3.758 30 20 CHED CC(C)CCC[C@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 448645855 CNJCITSQLIHHSN-WMLDXEAASA-N 276.424 3.791 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 448814724 ZTYBGPXZTGFJMQ-SQNIBIBYSA-N 283.415 3.680 30 20 CHED C=CCC1(C(=O)NC2CCSCC2)CCCCC1 448851127 KTICJBHGIFBALA-UHFFFAOYSA-N 267.438 3.525 30 20 CHED C[C@@H](CCc1ccco1)NC1CCC(C)(C#N)CC1 449058147 GRSXNDWKAPKOFU-HLIUYOAVSA-N 260.381 3.663 30 20 CHED C=CCC1(C(=O)N(CC)CC(F)(F)F)CCCC1 449818250 KVOSWTSJABZYBS-UHFFFAOYSA-N 263.303 3.534 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)c(Cl)c1Cl 450116350 RGZDHPZEZPLVEM-JTQLQIEISA-N 299.201 3.970 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccc(Cl)c(OC)c1 450424025 JSTWWLSPMCCAQT-LBPRGKRZSA-N 295.810 3.752 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1c1ccc(C#N)cn1 450598976 JYEAWTFQTAEMDP-KEYYUXOJSA-N 277.371 3.724 30 20 CHED C[C@H]1C[C@@]1(NCC1(C#N)CCC1)c1ccc(Cl)cc1 450929265 UCJPVQIWNATEBG-LRDDRELGSA-N 274.795 3.859 30 20 CHED N#CC1(COc2ccc(C(F)(F)F)cc2F)CCC1 450932820 PAFFKFKEKQPOHJ-UHFFFAOYSA-N 273.229 3.917 30 20 CHED CC(C)c1cnc(CNc2cnc(C#N)c(Cl)c2)s1 453054551 XVBVRBIHKFYCNG-UHFFFAOYSA-N 292.795 3.799 30 20 CHED CCn1ccnc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 453369594 VDQDTXCUEZQQDM-SUMWQHHRSA-N 294.402 3.503 30 20 CHED C=C(CC)CNC(=O)Nc1ccc2oc(C3CC3)nc2c1 454428674 QMVLSXVYYLGJPM-UHFFFAOYSA-N 285.347 3.793 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](c2ccc(CC)cc2)C1 455330487 VBCYAGPPHVKWGL-KRWDZBQOSA-N 286.419 3.714 30 20 CHED CCC(C)(C)CNC(=O)Nc1ccc(CC#N)cc1Cl 455728928 IKRWXBZZHDOYRO-UHFFFAOYSA-N 293.798 3.964 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(OCC)ccc1Cl 455776165 ONHNIDHPYBMRCH-UHFFFAOYSA-N 294.782 3.945 30 20 CHED C=CCC1(NC(=O)c2cc(C)n(C(C)C)n2)CCCCC1 456367075 NAXVMQXWJDICIK-UHFFFAOYSA-N 289.423 3.781 30 20 CHED N#CCC[C@@H](NC1CC2(CCC2)C1)c1ccccc1 459440782 ADNDHWOWJIMFIT-MRXNPFEDSA-N 254.377 3.954 30 20 CHED C=C(C)CN(CC)C(=O)CNc1cccc(C2CCC2)c1 461731275 WLZHTODVOQELAC-UHFFFAOYSA-N 286.419 3.791 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1OC1CCCCC1 465146223 KTJPNEYTJGPMMQ-ZDUSSCGKSA-N 273.376 3.702 30 20 CHED Cc1ccc(CSc2ncc([N+](=O)[O-])cc2C#N)cc1C 467780164 LSOYCVNPMYJFMJ-UHFFFAOYSA-N 299.355 3.771 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(C#N)c(Cl)c1 469841057 KUULKYZOGJXHCK-GHMZBOCLSA-N 276.767 3.976 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OC)cc1OCCCC 469933562 DPAWPLSXYMTRJP-ZDUSSCGKSA-N 291.391 3.569 30 20 CHED C=CCOCCCN1CCC[C@H]1c1ccc(C)cc1 470727726 WCHCWJWHWJNLEL-KRWDZBQOSA-N 259.393 3.725 30 20 CHED C=CCC[C@H](O)CN(Cc1ccccc1)[C@H](C)CC 472778828 OLOPBPYKJRIZDS-WBVHZDCISA-N 261.409 3.614 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1OC 475440564 WPDYODXVYNVXGW-UONOGXRCSA-N 286.375 3.722 30 20 CHED CCCC[C@@H](SCc1ccc(F)cc1C#N)C(=O)OC 475890075 YYTVPOGUTOUUHO-CQSZACIVSA-N 295.379 3.662 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC(C)C1 476003759 ONYFAEVCIWZOSV-UHFFFAOYSA-N 298.839 3.898 30 20 CHED C[C@H](C1CC1)N(CCCOc1cccc(C#N)c1)C1CC1 477141482 FZYBQKRLPJSHMW-CQSZACIVSA-N 284.403 3.590 30 20 CHED C=C(CC)COc1cc(F)ccc1-c1ccnn1C 478885777 OYOODQDNUMAVQS-UHFFFAOYSA-N 260.312 3.571 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Cc1cccc(Cl)c1 479287950 WSJDNRQOSUFTOF-LBPRGKRZSA-N 265.784 3.553 30 20 CHED CC(C)(CC(=O)N[C@]1(C#N)CC1(C)C)C1CCCCC1 484911469 OQPUOSONQSVRCO-KRWDZBQOSA-N 276.424 3.791 30 20 CHED CC(C)(C#N)CC(=O)N[C@](C)(c1ccccc1)C(F)(F)F 486448775 HMLMXJSBIPMZPK-CQSZACIVSA-N 298.308 3.520 30 20 CHED C=CCn1cccc1C(=O)N1CCCC[C@@H]1c1ccc(C)o1 488739502 WPZSXRIOTYGIJW-OAHLLOKOSA-N 298.386 3.943 30 20 CHED CCC(CC)(CNc1c(Cl)cccc1C#N)OC 488747790 JWDCQFZZEISQDH-UHFFFAOYSA-N 266.772 3.829 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](c2ccccc2)[C@H]1C 488772397 ZGOBYAINFNIEHM-WBVHZDCISA-N 294.398 3.692 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)c1c(F)cccc1F 488832448 USZVIZHEAPIFDM-RYUDHWBXSA-N 279.330 3.635 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1c1ccccc1C 489030683 YZLAIKFWRRYHPD-KRWDZBQOSA-N 294.398 3.960 30 20 CHED C=CCCCN(C)Cc1ccc(OC)c(Cl)c1 489424809 SLLXQASFWGHPSU-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1SC 490102010 JSTAMYNQZIQPNE-UHFFFAOYSA-N 272.373 3.648 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(Cl)c(Cl)cc1F 491619763 BRQFMDHHVKHFFP-SSDOTTSWSA-N 289.137 3.618 30 20 CHED C=C(C)CN(CC)C(=O)NC[C@H]1CCCc2ccccc21 504220722 QEFBGTNULHHQCG-MRXNPFEDSA-N 286.419 3.714 30 20 CHED Cn1c(SCc2cccc(C#N)c2F)nc2ccccc21 513229468 ZCZYRTWQNTUOEY-UHFFFAOYSA-N 297.358 3.876 30 20 CHED C=C(C)CCNc1ccc(-c2nccc(C)n2)cc1 517227892 BZROCGLJSQMTKO-UHFFFAOYSA-N 253.349 3.830 30 20 CHED C=CC[C@@H]1N(C[C@@H]2CCCC[C@H]2O)CCCC1(C)C 519778748 SIBFMZSXQNHDSC-XHSDSOJGSA-N 265.441 3.604 30 20 CHED N#CCCC1CCN(c2ccc(Cl)cc2C#N)CC1 521868021 YFTKVDQNVAHMEC-UHFFFAOYSA-N 273.767 3.732 30 20 CHED C=CCNc1cccc(C)c1C(=O)NCCc1ccccc1 531537012 OWUBGJTXBWARHR-UHFFFAOYSA-N 294.398 3.565 30 20 CHED CCC[C@H](C#N)NC(=O)CCSc1ccc(C)c(C)c1 535513932 IWCDTWMPZLYFEV-CQSZACIVSA-N 290.432 3.594 30 20 CHED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1C[C@H]2C=C[C@H]1C2 538724351 GAQDQMOZYRUVRL-FLNBYBTLSA-N 292.426 3.970 30 20 CHED Cc1cccc(OCCN[C@H](C)c2ccc(C#N)c(F)c2)c1 539609097 DRARFIFNFKOBPM-CQSZACIVSA-N 298.361 3.735 30 20 CHED N#Cc1cccc(NC/C=C/c2ccc(F)cc2F)c1 541769334 GBSLINRFRRNHJE-DUXPYHPUSA-N 270.282 3.962 30 20 CHED CC(C)(NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 544430943 PYDHDSYMVNVMEK-UHFFFAOYSA-N 298.773 3.877 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)CC1 548512826 HYZXZVGHQMHLBK-NSHDSACASA-N 292.345 3.571 30 20 CHED CCC(C)(C)C1CCC(CC(=O)NC[C@@H](C)C#N)CC1 549097249 ATQKABPBYDFGKR-NFOMZHRRSA-N 278.440 3.895 30 20 CHED C=CCc1cc(CN2[C@@H](C)CC[C@@H]2CC)cc(OC)c1O 554887838 DTZULAYYOUITLV-BBRMVZONSA-N 289.419 3.892 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@H](Cc1ccccc1)C(C)C 557011434 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Cc1ccc(C[S@](=O)CCCC(C)(C)C#N)cc1F 600926893 OGZLFTWZFGFRJD-LJQANCHMSA-N 281.396 3.713 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1ccccc1N1CCCC1 602436273 MPXVHFGGILHDAD-INIZCTEOSA-N 285.435 3.658 30 20 CHED C[C@H](CCC#N)CN[C@H]1CC[C@@H](c2cccc(F)c2)C1 602644376 MWGZGBOXDBPBIY-UNEWFSDZSA-N 274.383 3.991 30 20 CHED N#CCC1(CN2CCC[C@@H]2c2cccc(F)c2)CC1 602768229 LMGQNSLMDNLIAK-OAHLLOKOSA-N 258.340 3.656 30 20 CHED CCC[C@@H](C#N)NC(=O)c1ccc(SC(C)C)cc1 608816236 JXPDIMOLWXMEBF-ZDUSSCGKSA-N 276.405 3.609 30 20 CHED C=CCCS[C@H](C)C(=O)N[C@H](C)c1ccccc1C 610088861 HXDAFOUKZZBRTB-ZIAGYGMSSA-N 277.433 3.870 30 20 CHED CCC[C@@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 610972217 SWIFEITXDZXMJN-HIFRSBDPSA-N 273.380 3.519 30 20 CHED CC(C)(C(=O)NCCCC#N)c1ccc2ccccc2c1 612061129 VKYQEGUUXITJNR-UHFFFAOYSA-N 280.371 3.537 30 20 CHED Cc1ccnc(CN(CC(C)C)c2ccc(C#N)cc2)c1 616763643 XQJULHVGOYQNRV-UHFFFAOYSA-N 279.387 3.924 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 617784256 PUPHGRRERBKIOC-YJBOKZPZSA-N 299.414 3.505 30 20 CHED C=CCCc1noc([C@H](C)OCc2cccc(C)c2)n1 632153239 KDZACTJRRJJCEW-ZDUSSCGKSA-N 272.348 3.774 30 20 CHED C=CCCCN[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 639117440 DFORTPFKXQCIML-HKUYNNGSSA-N 284.447 3.910 30 20 CHED C=CCN(Cc1ccccc1)C[C@@H]1COc2ccccc2O1 642524846 RQKLRSIECYZUCQ-QGZVFWFLSA-N 295.382 3.515 30 20 CHED C=CCCCN[C@H](c1ccc(OC)cc1)c1ccccn1 652194626 VZOJEQXYVRJHAH-GOSISDBHSA-N 282.387 3.735 30 20 CHED C=CCCn1cc(CN[C@@H](CC(C)C)c2ccccc2)nn1 653597941 GYKXPCHVWCKNLB-SFHVURJKSA-N 298.434 3.731 30 20 CHED C=CCC1(NCc2cnc(C3CCC3)s2)CCOCC1 657632953 DVVCZEQMSLRJHZ-UHFFFAOYSA-N 292.448 3.626 30 20 CHED C=CCC1(NCc2ccnn2CC(C)C)CCCC1 657702699 NWUHLAASCYHRMN-UHFFFAOYSA-N 261.413 3.518 30 20 CHED C=C(C)COCCN[C@@H](C)c1cc2ccncc2s1 657925583 DJRBTZFMZVDZHW-LBPRGKRZSA-N 276.405 3.540 30 20 CHED C=CCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 661569327 LVAFLQUEUWYEBX-BBWFWOEESA-N 284.403 3.540 30 20 CHED C=CCC1(NC(=O)Nc2cccc(Cl)c2)CCOCC1 665127171 HCMLVWZFSBALFA-UHFFFAOYSA-N 294.782 3.587 30 20 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276.304 3.781 30 20 CHED CC(=NN=C1CCC[C@@H]1c1ccccc1)c1cnccn1 745201922 NOAZAKASEJSDRT-OAHLLOKOSA-N 278.359 3.609 30 20 CHED CC#CCOC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 745351659 SUKJRVLRMLZBFS-STQMWFEESA-N 283.154 3.663 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)C#Cc2ccccc2)c1 747223730 ODRBFUYTCICTMU-INIZCTEOSA-N 277.367 3.532 30 20 CHED Cc1ccc(NN=Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 747737075 ULQHBPOGPGWMKK-UHFFFAOYSA-N 294.314 3.831 30 20 CHED O=C1/C(=C\c2ccc(Cl)nc2)Cc2cc(F)ccc21 749005040 IAXPTCMZTYUEAL-WZUFQYTHSA-N 273.694 3.697 30 20 CHED CC(=NNC(=S)Nc1ccc(C)cc1)c1ccsc1 749100038 YVDCLXDAYWWFRU-UHFFFAOYSA-N 289.429 3.767 30 20 CHED COc1ccc2c(c1)O/C(=C/c1cccc(F)c1F)C2=O 749132233 KLACOROPOMEACR-VGOFMYFVSA-N 288.249 3.590 30 20 CHED C=CCN(C(=O)N[C@H]1CCCC[C@H]1SCC)C(C)C 750674511 HGFIUFLZXIHMAS-UONOGXRCSA-N 284.469 3.657 30 20 CHED CCC[C@H](OC(=O)c1ccc(C#N)[nH]1)c1ccccc1 752491906 XOLJFYIQRDGBQP-HNNXBMFYSA-N 268.316 3.585 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2ccc(F)cc2OCC#N)CS1 754145498 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3.735 30 20 CHED CCCCCCCN[C@@H](C)c1ccc2c(c1)CC(=O)N2C 775350288 JMYSIVXESXDZJC-AWEZNQCLSA-N 288.435 3.827 30 20 CHED Cc1ccc([C@@H](O)CN[C@H](CCC#N)c2ccccc2)cc1 775553844 RCIMKMILXRKZLG-MOPGFXCFSA-N 294.398 3.663 30 20 CHED Fc1ccc(C2=CCC(=NNc3cccnn3)CC2)cc1 776770978 YZQVWBCNULVYFF-UHFFFAOYSA-N 282.322 3.651 30 20 CHED Cc1cccnc1C=NN[C@H](Cc1ccccc1)C(C)C 777447725 IEDXESXLFRCJHZ-QGZVFWFLSA-N 281.403 3.581 30 20 CHED C=CCN(Cc1ncc(Cl)cc1Cl)C(C)C 777559000 PHIPYLVCPHGEMW-UHFFFAOYSA-N 259.180 3.785 30 20 CHED COC[C@@H](C)NN=Cc1ccc(-c2ccc(Cl)cc2)o1 777902658 LHBSQLYKSBPOHU-LLVKDONJSA-N 292.766 3.558 30 20 CHED COC[C@@H](C)NN=C1CCCc2c1sc1ccccc21 777902743 TTZSRWDXCKGAJW-LLVKDONJSA-N 288.416 3.566 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2ccc(OC)cn2)cc1 780269534 ROXJNWOMBOKUGI-LBPRGKRZSA-N 299.374 3.690 30 20 CHED C/C(C=NNc1ncncc1Cl)=C/c1ccccc1 780281887 XJSFHMYCLJXBFR-RTTBRSAMSA-N 272.739 3.631 30 20 CHED CC(CCCCN(C)C)=NNc1ccc(F)cc1C 781128982 ZKWNIKOCBLENSD-UHFFFAOYSA-N 265.376 3.654 30 20 CHED C=C[C@@H](C)OC(=O)c1c[nH]nc1-c1ccc(Cl)s1 781575614 AZHCLGSFZBBLNA-SSDOTTSWSA-N 282.752 3.523 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@@H]1CCC(C)(C)C1 781747669 OFNOCQCYHKDEKL-CQSZACIVSA-N 271.360 3.736 30 20 CHED CC(C)(C#N)CNC(=O)CCc1ccc(Cl)c(Cl)c1 782100466 FMWMARYBBQLXBI-UHFFFAOYSA-N 299.201 3.592 30 20 CHED COc1cc(C(C)=NNc2cc(C)cc(C)c2)ccn1 782165370 FIKLMXSNCIFIEH-UHFFFAOYSA-N 269.348 3.543 30 20 CHED CC(C)(C)CCNN=Cc1ccc(OC(F)F)c(F)c1 782902460 APWZHRCLUBEZKX-UHFFFAOYSA-N 288.313 3.787 30 20 CHED CCc1nc(C)c(C(C)=NNCCC(C)(C)C)s1 782906614 BLBFCTFRKXTRDN-UHFFFAOYSA-N 267.442 3.764 30 20 CHED Cc1cc(O)c(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C 785617837 WEFSCMJXHDLRPT-GOSISDBHSA-N 292.382 3.658 30 20 CHED CC(=NNC1CCCCC1)c1cccc(F)c1F 786042254 NTHTYHFBHLIPIS-UHFFFAOYSA-N 252.308 3.611 30 20 CHED CC(=NNc1ccccc1)c1cnn(C(C)C)c1C 787146003 USLAMSOBKWLGMF-UHFFFAOYSA-N 256.353 3.609 30 20 CHED C#CCC1(C(=O)OCc2ccc(Cl)nc2)CCCCC1 788218461 RNBSCOGWNDYYJY-UHFFFAOYSA-N 291.778 3.752 30 20 CHED C=CCN(CCc1ccco1)C(=S)Nc1ccsc1 790325878 OBNOPWKBFAIPCK-UHFFFAOYSA-N 292.429 3.769 30 20 CHED CC(C)Oc1ccc(N[C@@H](C)[C@H]2CCCOC2)cc1C#N 793063135 MPPUQHWNHHQEGI-KBPBESRZSA-N 288.391 3.572 30 20 CHED CC[C@H](C)CON=Cc1c[nH]nc1-c1ccsc1 793145065 HKEHILHAYRWPLH-JTQLQIEISA-N 263.366 3.535 30 20 CHED CCC(=NNCCC(F)(F)F)c1cc(C)ccc1OC 794548745 ZUXDHQXRGUAZPZ-UHFFFAOYSA-N 288.313 3.660 30 20 CHED CCCCC(=NOCCSC)c1ccccc1 794574419 FYSMVGYCTKXIRG-UHFFFAOYSA-N 251.395 3.961 30 20 CHED CCOc1ccc(/C=N\CCCc2cccc(C)n2)c(O)c1 794682317 UYPPUIAPFZJBIS-UYRXBGFRSA-N 298.386 3.546 30 20 CHED COCCCON=C(C)c1cc2cc(Cl)ccc2o1 795041323 COTUIPCHNKPPLA-UHFFFAOYSA-N 281.739 3.863 30 20 CHED N#CC[C@H](CC(=O)O[C@@H]1C=CCCC1)c1ccccc1 795982754 QVJQLRIBEFCQRK-HZPDHXFCSA-N 269.344 3.726 30 20 CHED CC/C(=C\C(=O)NCC1(CC#N)CC1)c1ccc(C)cc1 797564300 PHBSFVTZBLHKLM-NTCAYCPXSA-N 282.387 3.599 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc2ccccc2c1O 797587752 XTNLBDHTLVWSGO-CYBMUJFWSA-N 280.371 3.890 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1cccc(Cl)c1F 797888632 KUHSAFVGIDBBPD-UHFFFAOYSA-N 293.681 3.609 30 20 CHED C#C[C@@H](Nc1nn2cc(-c3ccccc3)nc2s1)C(C)C 798409396 WWKWVDSXBZVSOA-CYBMUJFWSA-N 296.399 3.528 30 20 CHED C=C[C@H](OC(=O)c1ccc(F)c(NC(C)=O)c1)C(C)(C)C 798901735 HLEXEVNHRGGXOB-AWEZNQCLSA-N 293.338 3.542 30 20 CHED C#C[C@@H](NC(=O)c1csc(-c2ccccc2C)n1)C(C)C 799043674 AUSOYOPNABOCJW-CQSZACIVSA-N 298.411 3.506 30 20 CHED Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1C#N 799426377 CMQZEPYWHSOHNZ-SAABIXHNSA-N 290.366 3.543 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C/c1ccc(C#N)cc1F 799898149 VOSMTRPFFKTBOI-RIYZIHGNSA-N 292.313 3.807 30 20 CHED C[C@H](C#N)OCCN1CCCc2cc(C(C)(C)C)ccc21 801936411 SYXOQKLCQMIASQ-CQSZACIVSA-N 286.419 3.665 30 20 CHED C=CCCCCCCNC(=O)c1ccc2nc(C)n(C)c2c1 805219238 BMRAAGFXRAHJAE-UHFFFAOYSA-N 299.418 3.748 30 20 CHED C=CCCCCCCNC(=O)c1cc(F)ccc1F 805221620 STPPFIFMWDEJCM-UHFFFAOYSA-N 267.319 3.831 30 20 CHED CCSc1cccc(/C=C\C(=O)c2cc(C)on2)c1 806555447 DFNGDAMQFJMPIJ-FPLPWBNLSA-N 273.357 3.991 30 20 CHED CCCCc1ccc(C(=O)/C=C\c2cnccn2)cc1 809152823 KVCAXLHKJANHIW-KTKRTIGZSA-N 266.344 3.715 30 20 CHED C#C[C@H](NCc1ccc(OCC)c(OCC)c1)C(C)(C)C 809782134 IVSGGRFJNBFXSZ-KRWDZBQOSA-N 289.419 3.622 30 20 CHED CC(=NNc1ccc(C)cc1)[C@H](C)NC(=O)OC(C)(C)C 811629401 PSWZSHWCCMXCAM-LBPRGKRZSA-N 291.395 3.696 30 20 CHED C=C(C)[C@H](CC(=O)OCc1oc(C(C)C)nc1C)OCC 813219718 JSFSHTNWPQAKJI-ZDUSSCGKSA-N 295.379 3.521 30 20 CHED C=C(Cl)COc1c(C#N)cnc2ccc(C)cc12 813577441 SEOVDFATEUZVFV-UHFFFAOYSA-N 258.708 3.546 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)c1nc2ccccc2o1 814118968 VMHQDPOUHSOANA-LBPRGKRZSA-N 286.375 3.650 30 20 CHED CC(=NNc1cc(C)ccc1C)c1cc([N+](=O)[O-])ccc1N 814753658 UJRWXZYPHIWNEN-UHFFFAOYSA-N 298.346 3.630 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc(C)nc1C 814885345 WPKXOLXEAQZCGJ-UHFFFAOYSA-N 271.339 3.982 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cccc(O)c1Cl 814917328 KCCQEYGBNWZTSE-GFCCVEGCSA-N 266.772 3.548 30 20 CHED Cc1ccc2nc(C(=O)N(CCC#N)CC(C)C)ccc2c1 815131670 JKOPRYOLJOQLSD-UHFFFAOYSA-N 295.386 3.555 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc2c(s1)CCC2(C)C 817468454 LTMWVRFKJWXZIY-UHFFFAOYSA-N 286.347 3.517 30 20 CHED CCC/C(C)=C\C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 819736737 OEXYJZULVQDBPF-ZVHGMHCTSA-N 270.376 3.824 30 20 CHED C=CCC1(C(=O)NCc2ccc(N(C)C)cc2)CCCC1 823729395 FMJIOMLZENNDFV-UHFFFAOYSA-N 286.419 3.505 30 20 CHED COc1cc(C)ccc1/C=C/C(=O)c1cnn(C(C)C)c1C 834434471 KEWXEKKNDKYZLK-CMDGGOBGSA-N 298.386 3.986 30 20 CHED COCCCNN=Cc1ccccc1-c1ccccc1C 834977099 QGGILAWJLGRGEK-UHFFFAOYSA-N 282.387 3.622 30 20 CHED C#CCCCCCC=NNc1cccc(F)c1[N+](=O)[O-] 834978040 XXVDNBLZPXGYBK-UHFFFAOYSA-N 277.299 3.715 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1cc(C(F)(F)F)ccn1)OC 834985595 NBIFAANLIYIPBF-MWLCHTKSSA-N 289.301 3.559 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)OC[C@@H](C#N)Cc1cccs1 835260601 IUXHPJFYIZJOJP-UMVBOHGHSA-N 291.416 3.800 30 20 CHED C[C@H](CC#N)OC(=O)C(C)(C)Cc1ccc(Cl)cc1 838803649 XKRQCYCBTXOVOF-LLVKDONJSA-N 279.767 3.754 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839061427 CZVAPUDFOKCZCT-UONOGXRCSA-N 286.375 3.753 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(F)c(Cl)c2F)C1 839451728 ZQRAOMQNGWNDFD-RKDXNWHRSA-N 299.704 3.857 30 20 CHED CC(CCCCC#N)=NNC(=S)Nc1ccccc1C 841602676 HXDPTKURRZLEHU-UHFFFAOYSA-N 288.420 3.741 30 20 CHED CC(=NNc1nccnc1C(C)C)[C@H]1C[C@H]2C=C[C@H]1CC2 842531220 IGIFBVHFEHVACY-SOUVJXGZSA-N 284.407 3.990 30 20 CHED C#CC1CCN(C/C(C)=C/c2ccccc2COC)CC1 843426659 FQTNNNHKQBDUFS-DTQAZKPQSA-N 283.415 3.582 30 20 CHED CC(C)CC(=NOC[C@@H]1CCOC1)c1ccc(F)cc1 844591482 LDQOFXOBKZWUAN-CYBMUJFWSA-N 279.355 3.629 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@H]1CCC(=O)[C@@H]1C 847743856 JBKBQSIHIUXHDV-WVCIDPQESA-N 292.419 3.916 30 20 CHED C=C(Cl)CNc1ccccc1OCC(F)(F)F 849312536 GQFWWNWQNAHCJH-UHFFFAOYSA-N 265.662 3.792 30 20 CHED C=CCCC(C)(C)NCc1cc(OCC)ccc1O 850417198 PDRYBAMDEIUZRT-UHFFFAOYSA-N 263.381 3.625 30 20 CHED CCCn1nccc1/C=C1/CCc2cc(F)ccc2C1=O 853005657 JZLNKZJRAPLOMD-QBFSEMIESA-N 284.334 3.645 30 20 CHED COC1(C(C)=NNc2nc(C(F)(F)F)cs2)CCC1 853317418 XUMUEUBTPIDEKF-UHFFFAOYSA-N 293.314 3.519 30 20 CHED C=CCCN=[S@](=O)(c1ccccc1)C(F)(F)F 853727529 KQLYLQFFHHQCEV-KRWDZBQOSA-N 263.284 3.609 30 20 CHED C=CCC1(NC(=O)C[C@@H](C)CCCCC)CCOCC1 855685644 CCFOFULWQZRWOO-HNNXBMFYSA-N 281.440 3.834 30 20 CHED C=CCCCCC(C)=NNc1ncc(Cl)cn1 857220497 JCMYRMVZAGISMH-UHFFFAOYSA-N 252.749 3.664 30 20 CHED CC1(C)CC(=NNc2cccnn2)c2ccccc2S1 872353204 YWFMOYVFNDXIPZ-UHFFFAOYSA-N 284.388 3.567 30 20 CHED C#CCCCCCCNc1cccc([C@H]2CCC(=O)N2)c1 877591845 ZHASFUUFIIENFL-QGZVFWFLSA-N 284.403 3.633 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(OC(C)(C)C)c1 888558234 SRLNSMRGLOINFY-MRXNPFEDSA-N 274.364 3.742 30 20 CHED C=CC(C)(C)CC(=O)N[C@@](C)(C#N)CCc1ccccc1 889532316 ZNCKCFNTXSHRQA-GOSISDBHSA-N 284.403 3.620 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCOC2(CCC2)C1 890990156 LHBCIKHLJJDXTN-MRXNPFEDSA-N 293.451 3.979 30 20 CHED C[C@@H]1CN(c2cc(C#N)sc2[N+](=O)[O-])[C@H]1c1ccccc1 892726751 CDBCBLNFMOYCPC-QMTHXVAHSA-N 299.355 3.725 30 20 CHED C=CCOc1cc(OC)ccc1-c1nc(C2CC(=C)C2)no1 896878099 XGZOSTXVSFWEON-UHFFFAOYSA-N 298.342 3.744 30 20 CHED C=C1CCC(C(=O)N2CC(C)(c3ccccc3)C2)CC1 899041655 JGJQXMPLRDWMBO-UHFFFAOYSA-N 269.388 3.533 30 20 CHED CC(=NNc1cc(Cl)ccc1C)c1cc(C)n(C)n1 901318535 WXSFIJHOHCEULY-UHFFFAOYSA-N 276.771 3.526 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1coc2c(F)c(F)ccc12 907962927 OWXJCWFIESMHOA-NSHDSACASA-N 293.313 3.724 30 20 CHED Cc1cc(C(=O)OCCCCC2(C#N)CCC2)co1 909208547 YRCPEPZHDWBWSG-UHFFFAOYSA-N 261.321 3.609 30 20 CHED Cc1ccccc1C=NNC(=S)Nc1ccccc1C 915921466 WZCNPUZYCDKRBS-UHFFFAOYSA-N 283.400 3.624 30 20 CHED CCCc1ccccc1NC(=O)NCc1ccc(C#N)cc1 916409027 NGLCAIQJTURZOJ-UHFFFAOYSA-N 293.370 3.832 30 20 CHED Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NO)(C4)C2)C3)cc1C 916666171 RNYBUVBIXHQYCT-QAQJPARQSA-N 299.414 3.647 30 20 CHED CCOc1cccc(C=NNc2ncccc2Cl)c1 917547035 YNFUYQTUCNFNGD-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(=NNc1ncccc1Cl)c1cc(C)ccc1O 917549691 ZJNZZHDNGMUSBB-UHFFFAOYSA-N 275.739 3.585 30 20 CHED C=CCN(C(=O)N[C@@H](CC)c1ccccc1OC)C(C)C 918067362 HCORNZDHUWKFEG-HNNXBMFYSA-N 290.407 3.752 30 20 CHED N#C[C@H](C(=O)C=C1CCCC1)c1ccc2ccccc2n1 918482792 WXLSJXHGNFHCCW-HNNXBMFYSA-N 276.339 3.911 30 20 CHED N#C[C@@H](Sc1nc2ccc(F)cc2s1)C1CC1 918924979 BCLJLQFFROIHBJ-LLVKDONJSA-N 264.350 3.830 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)c1ccccc1CC#N 919035074 VZSHFAGVBPCZGA-OAHLLOKOSA-N 293.366 3.931 30 20 CHED Oc1ccccc1/C=N\CCc1cccc(Cl)c1 920945057 OKNAMLVYXALURL-BOPFTXTBSA-N 259.736 3.707 30 20 CHED CCC1CC(=O)C(=CNc2cccc3c2CCCC3)C(=O)C1 920976934 SMTMMPPZCIVJSN-UHFFFAOYSA-N 297.398 3.819 30 20 CHED COc1ccc(CC[C@@H](C)/N=C/c2ccccc2O)cc1 921260907 IBUYUMKFCRJUET-NFECSFHCSA-N 283.371 3.841 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1c(C)nn(C)c1Cl)C2=O 921263503 FJXFIDBQQSHLFV-WQLSENKSSA-N 286.762 3.513 30 20 CHED N#Cc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1 921263947 LRVHAHVEABXASK-JYRVWZFOSA-N 263.271 3.520 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cc(-c2ccccc2)on1 924897872 JUFJRUWGBPQXNY-CYBMUJFWSA-N 283.375 3.760 30 20 CHED C=CCSCCN[C@H](C)c1cc(-c2ccccc2)no1 925349606 BKKQOLPEIXBOGL-CYBMUJFWSA-N 288.416 3.911 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cccc(Br)n1 926350023 GANSYBXZJMGMIE-QWRGUYRKSA-N 283.213 3.849 30 20 CHED C=C1CN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 930771476 LCKVHBKBAOIQJL-UHFFFAOYSA-N 296.317 3.546 30 20 CHED C=C1CCN(C(=O)Nc2cccc(F)c2SC)CC1 931890172 PRPKSUQCVATNBF-UHFFFAOYSA-N 280.368 3.732 30 20 CHED N#CCCCCN1CCC[C@H](c2nc3c(s2)CCC3)C1 932192336 KCMDDJACIGXBDU-ZDUSSCGKSA-N 289.448 3.505 30 20 CHED N#CC1(CCCCN[C@@H](c2ccncc2)C2CC2)CCC1 934697171 HVYAYKPHABHUCR-QGZVFWFLSA-N 283.419 3.986 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 934739537 RVZHVXYIZOZPPA-QWHCGFSZSA-N 299.374 3.516 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)cc1C)CO2 1115829622 YYDVXPDFLABEJT-OQLLNIDSSA-N 294.350 3.971 30 20 CHED C=C[C@H](COC)N[C@@H](C)[C@H](C)c1ccc(Cl)cc1 1116865670 QQYYEDATHFRQPW-SLEUVZQESA-N 267.800 3.623 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C#N)cc1F)C1CC1 1120600821 HRGSUGSJQNKLPL-RYUDHWBXSA-N 288.366 3.737 30 20 CHED C[C@@H](CC(=O)OCc1ccc(C#N)s1)c1ccccc1 1261558501 IPRSXKWUMVXPOU-LBPRGKRZSA-N 285.368 3.857 30 20 CHED CCC[C@@H]1CCCN1C(=O)[C@H](C#N)CCc1ccccc1 1262647241 YOBXHKNVGFBHIG-DLBZAZTESA-N 284.403 3.550 30 20 CHED Cc1cccc(-c2ccc(CN=c3cc[nH]cc3C#N)cc2)c1 1306974985 YMCYHEMUWBRGBN-UHFFFAOYSA-N 299.377 3.963 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)[C@@H]1CCCC[C@@H]1C 1307687301 YXPQQNLRCCWCLR-WMLDXEAASA-N 286.419 3.967 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCCc1ccc(C#N)cc1 1307753395 WKGNMSOEWJJQHL-HALDLXJZSA-N 256.393 3.515 30 20 CHED CCC[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N 1308135973 SNAWIDRKKJJRCU-OAHLLOKOSA-N 262.784 3.976 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)C2(c3cccc(C#N)c3)CC2)C1 1319908017 OREHAHFJSFWISW-CZUORRHYSA-N 283.371 3.712 30 20 CHED CCC(=NNc1ccn(C)n1)c1ccc(Cl)c(Cl)c1 1320687173 NIMHFPXYZHITHV-UHFFFAOYSA-N 297.189 3.953 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)/C(=C\c1ccc(F)nc1)C2=O 1321464897 VQKWAHVLAZSRDL-QVIVLVACSA-N 283.302 3.618 30 20 CHED COCCON=CC1CCC(c2ccccc2)CC1 1325139282 KRIHUWMAWUXKTO-UHFFFAOYSA-N 261.365 3.609 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)CC#Cc2ccccc2)CC1 1326146762 UMJJMGVKYDNXKO-WBVHZDCISA-N 269.388 3.513 30 20 CHED CC(C)(CNC(=O)c1csc(C#N)c1)C1CCCC1 1327983715 VNLDRCDJQCCHML-UHFFFAOYSA-N 276.405 3.566 30 20 CHED N#Cc1c(F)cccc1SCC(F)(F)C(F)F 1329525050 BJLLIBRHHKPPRJ-UHFFFAOYSA-N 267.222 3.690 30 20 CHED C=C1CCC(C(=O)Oc2ccc(NC(=O)OC)cc2)CC1 1331921201 LPGOEFCIPAASAU-UHFFFAOYSA-N 289.331 3.517 30 20 CHED C#Cc1ccc(CNCc2cccc(C(F)F)c2)cc1 1332573592 OBGCPHKZJGDOCB-UHFFFAOYSA-N 271.310 3.895 30 20 CHED C=C1CCN(C(=O)N[C@@H](C)c2ccc(SC)cc2)CC1 1336812451 CXPOUKHXZANUPV-ZDUSSCGKSA-N 290.432 3.831 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N1C[C@H]2CCCC[C@H]2C1 1338973444 JJEJRLACBMDICD-IYBDPMFKSA-N 298.434 3.524 30 20 CHED C#CCCCCCC(=O)N1CCc2cc(CC)ccc2C1 1339258194 KUWHNYHXBWRBML-UHFFFAOYSA-N 283.415 3.717 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1c1cccc(CC#N)n1 1342841989 KDKTVOAMJAHDLZ-PBHICJAKSA-N 277.371 3.530 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)O[C@@H](CC#N)c1ccco1 1344937873 STGSCBBLBBBFHP-BZPMIXESSA-N 261.321 3.604 30 20 CHED CC#CCCCCOC(=O)c1oc(C2CC2)nc1C(F)F 1345646522 GIAHFTAKCQEYIO-UHFFFAOYSA-N 297.301 3.840 30 20 CHED C=C[C@@H](C(=O)N(C(C)C)C1CCC1)c1ccccc1 1347788107 GHYMEXBIRHBBQU-MRXNPFEDSA-N 257.377 3.746 30 20 CHED CC(C)(C#N)C[C@@H](O)CN[C@@H](C1CCCCC1)C1CCC1 1356622880 VMOMYKLSNIFZCP-SJORKVTESA-N 292.467 3.626 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c(C#N)c2)c1 1358045011 PRQZGISFERLKKH-OAHLLOKOSA-N 292.382 3.975 30 20 CHED Cc1cc2c(NC(=O)[C@H]3CCC(C)(C)C3)n[nH]c2cc1C#N 1452826955 RNTHKIDFBHLVFW-NSHDSACASA-N 296.374 3.508 30 20 CHED N#Cc1cc(F)cc(NC/C=C\c2cccc(F)c2)c1 1474235817 KHOYTFQYVZYFEX-RQOWECAXSA-N 270.282 3.962 30 20 CHED C=C(CC(C)C)C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 1519686449 HKKQBLCEZKLUCJ-GOEBONIOSA-N 257.377 3.808 30 20 CHED C=C(CC)C(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 1520968906 FBZIOYKXEZFCKP-CQSZACIVSA-N 298.386 3.886 30 20 CHED CCC[C@@H](NC(=O)c1ccsc1C#N)C1CCCC1 1528197726 MZQSHIDHSIXQHY-CYBMUJFWSA-N 276.405 3.708 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cccc(C#N)c1 1528904515 XJKKIDSFRJBBGP-JLSDUUJJSA-N 298.430 3.996 30 20 CHED Cc1cc(CN=c2cc[nH]c(C#N)c2)ccc1-c1ccccc1 1559172914 UXQYBKAKOJYRCB-UHFFFAOYSA-N 299.377 3.963 30 20 CHED CC[C@@H](CC1CCCCC1)NCc1ccc(C#N)cn1 1560869565 KOKCXLOFWWVWQM-INIZCTEOSA-N 271.408 3.792 30 20 CHED N#Cc1cccc(SCc2cc(C(=O)O)cs2)c1 1601121504 RJOZWWBOSUNPCX-UHFFFAOYSA-N 275.354 3.610 30 20 CHED CC(C)(C#N)CCCSCc1ccccc1C(=O)O 1603229750 FFTXNJUPNBMVTA-UHFFFAOYSA-N 277.389 3.948 30 20 CHED CC[C@@H](CC#N)Nc1ccnc(-c2cccc(Cl)c2)n1 1639745447 LKHNCBICGKWPTE-ZDUSSCGKSA-N 286.766 3.901 30 20 CHED N#Cc1c(Cl)nsc1SCC1CCCC1 1640533178 PJRNPDYPYROFBP-UHFFFAOYSA-N 258.799 3.950 30 20 CHED CCOc1ccc(Sc2ncc(C#N)cc2F)cc1 1642006348 WHBDLGOBYWOWLK-UHFFFAOYSA-N 274.320 3.642 30 20 CHED N#Cc1cc(N2CCC[C@@H]2CC2CCCCC2)ccn1 1651445558 AVCNLINNZIDBMY-MRXNPFEDSA-N 269.392 3.892 30 20 CHED N#Cc1c[nH]ccc1=N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 1655579357 PGHZNHAYEIBVMI-CZUORRHYSA-N 297.789 3.777 30 20 CHED CC(C)Oc1cccc(NCc2ccc(C#N)cc2)c1 1656287022 ACFIRSZCBPAAEH-UHFFFAOYSA-N 266.344 3.958 30 20 CHED CCC(CC)CN(CCC#N)C[C@]1(C)CCCS1 1658348380 RWWCNHAAIHFFFW-HNNXBMFYSA-N 268.470 3.924 30 20 CHED CC[C@@](C)(CN(Cc1ccc(C#N)cc1)CC(C)C)OC 1658448820 CTZFGOLJOJTACW-SFHVURJKSA-N 288.435 3.831 30 20 CHED O=C(O)c1ccc(NN=Cc2cccc(C3CC3)c2)cc1 1776013217 NQANUUXZXHMWRI-UHFFFAOYSA-N 280.327 3.708 30 20 CHED Cc1c(Cl)cccc1C=NNc1cccc(C(=O)O)c1 1776037383 DZFKHIVVCADTQE-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)c1cc(C)cc(C)c1 1776084433 OSXOIBRKBWMFDV-UHFFFAOYSA-N 296.370 3.767 30 20 CHED Cc1cccc(F)c1C=NNc1cccc(C(=O)O)c1C 1776089411 QOTODUUGSJWWKI-UHFFFAOYSA-N 286.306 3.587 30 20 CHED O=C(O)c1cc(C=NNc2cc(F)cc(Cl)c2)cs1 1776091567 VJEGDRSBKZTABG-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C[C@H]1Cc2ccccc2C(=O)/C1=C/c1csc(C(=O)O)c1 1776665895 IWVTVPMBLRJYTJ-UQDQQJHMSA-N 298.363 3.905 30 20 CHED CCc1cccc(/C=C/C(=O)c2cccc(C(=O)O)c2)c1 1776974788 KLNWQYOVWHRSEW-MDZDMXLPSA-N 280.323 3.843 30 20 CHED CCc1sc(C(=O)Nc2cccc(C#N)c2)cc1C 7265437 DWTVHVWPBGUTRI-UHFFFAOYSA-N 270.357 3.743 30 20 CHED CSc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 15143419 ROOPZIPSOQULNO-UHFFFAOYSA-N 285.328 3.932 30 20 CHED CC(C)c1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1 30282843 IQERQHTWQPMJSK-UHFFFAOYSA-N 293.370 3.732 30 20 CHED Cc1nc(CNc2ccc(C#N)cc2C(F)(F)F)cs1 36973740 XWIDNJVUPPTICL-UHFFFAOYSA-N 297.305 3.954 30 20 CHED Cc1ccc(F)c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 43349788 GJPLRQSLAAZXIU-LBPRGKRZSA-N 297.333 3.889 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)cc2F)c(C)o1 44730550 OIUVRPIQUPMBCI-NSHDSACASA-N 272.323 3.758 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1C 48438699 LBAPECQECMIOSS-LALPHHSUSA-N 271.364 3.504 30 20 CHED C[C@@H]1CCC[C@H](Nc2snc(Cl)c2C#N)C1 48558755 BQXOXVRXLRFDRI-SFYZADRCSA-N 255.774 3.659 30 20 CHED Cc1ccccc1C(=O)/C=C/c1csc([N+](=O)[O-])c1 48579039 XFPWRPNHWBLPKC-VOTSOKGWSA-N 273.313 3.861 30 20 CHED CC(C)NCc1ccc(-c2ccc(C#N)s2)cc1 50266975 SUBKWRNQKWLJSR-UHFFFAOYSA-N 256.374 3.785 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)c1sccc1C#N 52028521 GQHNGRFRVIEKDY-UHFFFAOYSA-N 290.775 3.545 30 20 CHED CCC[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC(C)C 54538191 SHWCIWHZONQDLG-GFCCVEGCSA-N 289.379 3.656 30 20 CHED N#Cc1ccc(CNCCc2cccc(Cl)c2)cc1 57599216 OVURXPITOJSEIK-UHFFFAOYSA-N 270.763 3.544 30 20 CHED CN(C(=O)c1cc(Cl)ccc1Cl)C1(C#N)CCC1 67683966 CYBINBLWGWGIAB-UHFFFAOYSA-N 283.158 3.512 30 20 CHED Cc1c(C(=O)NC2(C#N)CCCCC2)oc2ccccc12 73171267 GPYXAJACSAQOOV-UHFFFAOYSA-N 282.343 3.698 30 20 CHED C=CCCCN(C)C(=O)c1oc2ccc(OC)cc2c1C 76492586 VNMGGWNMKCWXQC-UHFFFAOYSA-N 287.359 3.788 30 20 CHED N#CCSc1cccc(C(=O)Nc2ccc(F)cc2)c1 79380263 BCERZPLTLXKPFU-UHFFFAOYSA-N 286.331 3.694 30 20 CHED C=CCN(Cc1ccccc1F)Cc1nccn1C(F)F 79486991 UMEGKECJZSVTAP-UHFFFAOYSA-N 295.308 3.606 30 20 CHED CC(C)(C#N)CCCn1cc(-c2ccccc2)cn1 87608868 LNFKOZLWTFKIJA-UHFFFAOYSA-N 253.349 3.880 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 92005121 ALOFCJNPLBLXCY-HUUCEWRRSA-N 292.810 3.888 30 20 CHED Cc1cc([N+](=O)[O-])cnc1Oc1ccc(C#N)cc1Cl 92583670 CYWHFMVBCJSFPZ-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CCN(CC#N)C(=O)C(CC)(CC)c1ccc(Cl)cc1 102607733 ZKOUJOBMBHIVTE-UHFFFAOYSA-N 292.810 3.770 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(Cl)cc2O)c1 103029087 VVNWUYMSWPRWSN-UHFFFAOYSA-N 299.757 3.694 30 20 CHED Cc1csc([C@@H](C#N)C(=O)CCc2ccccc2C)n1 103635645 HGNUYFFHKVNYGF-AWEZNQCLSA-N 284.384 3.569 30 20 CHED C=CCSCCNCc1csc(Br)c1 105462404 UVZDIKWMFUBVMU-UHFFFAOYSA-N 292.267 3.519 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccccc1C 106421993 UVCVAVGAGCOPBS-UHFFFAOYSA-N 258.365 3.587 30 20 CHED CCCCCCCCC(=O)N[C@@H](CO)c1ccccc1 109110986 OMCAKVURRZXUTJ-INIZCTEOSA-N 277.408 3.587 30 20 CHED Cc1ccc([C@@H](O)CNc2ccc(C#N)c(Cl)c2)cc1 110203229 YLFGJIPNCGJZNA-INIZCTEOSA-N 286.762 3.666 30 20 CHED N#Cc1ccc(Sc2cnccn2)cc1C(F)(F)F 110918036 FYPCNLHSOQGSQU-UHFFFAOYSA-N 281.262 3.518 30 20 CHED C=CCS[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 114757393 VKBASBKVDIXHAZ-HIFRSBDPSA-N 277.433 3.952 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2cccc(C#N)c2)c1C 115284718 DIBIPBCDRRYYFS-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C#CCCCCC(=O)N(CC)Cc1cccc(Cl)c1 119568992 WLERGLAZLUGONF-UHFFFAOYSA-N 277.795 3.882 30 20 CHED CCCCCCCCN1CCC(N2CCCCC2=O)CC1 120515775 WPYVLSBQWFSCDX-UHFFFAOYSA-N 294.483 3.824 30 20 CHED Cc1ccc(COC(=O)c2c(F)cc(C#N)cc2F)cc1 120604856 OGJKZPSYPRONEV-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC[C@@H](Cc1ccccc1)N(CC)CCCSCC#N 120627115 WPDOUFWPPGJGCB-KRWDZBQOSA-N 290.476 3.976 30 20 CHED C=CCC[C@@H](O)CN(C)[C@@H](C)c1nc2ccccc2s1 121339299 OYSOAEBEPCAOGD-QWHCGFSZSA-N 290.432 3.616 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1cccc(C#N)c1 123099024 LWTGLDFKINFDJJ-IAGOWNOFSA-N 299.418 3.668 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 123499988 VBALKXOCGFNOMO-CVEARBPZSA-N 291.439 3.653 30 20 CHED CC[C@H](C)CS[C@H](C)C(=O)Nc1ccccc1C#N 124238546 JBBVLOTYRFAQAR-NWDGAFQWSA-N 276.405 3.665 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCCSC1 124686192 VGQGMRQXOIACII-LLVKDONJSA-N 286.322 3.885 30 20 CHED C=C(Cl)CNCc1ccc(OC)c2ccccc12 127324417 OZHKXUDQKMZUFL-UHFFFAOYSA-N 261.752 3.691 30 20 CHED CN(C(=O)C1CCCCCCC1)c1ccccc1C#N 128667580 DTGOUWAXGGQCCR-UHFFFAOYSA-N 270.376 3.882 30 20 CHED CC(C)Cn1cc(NC2CC(C#N)(c3ccccc3)C2)cn1 128809184 DXLBEOCLDRAQTK-UHFFFAOYSA-N 294.402 3.575 30 20 CHED CC[C@@H](C)c1ccc(N/C(N)=N/Cc2cncc(C)c2)cc1 130974569 BZHMVVQMYUILHC-CQSZACIVSA-N 296.418 3.830 30 20 CHED CC[C@@H](NCCCC#N)c1ccccc1Br 132397249 NIZALKRWKPSQRH-CYBMUJFWSA-N 281.197 3.794 30 20 CHED N#Cc1c(F)cccc1OCc1ccn(C2CCCC2)n1 133639909 LRUYWUPTTXOVNY-UHFFFAOYSA-N 285.322 3.588 30 20 CHED C[C@@H](C1CC1)N(C)Cc1ccccc1C(C)(C)C#N 135145167 QNBVLGABWRLBPY-ZDUSSCGKSA-N 256.393 3.718 30 20 CHED C[C@@H](NCCCCC(F)(F)F)c1cccc(C#N)c1 148773539 QTJFXLMSDPJOCJ-LLVKDONJSA-N 270.298 3.941 30 20 CHED Cc1cc(Cl)ccc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 152248120 UNINJQUTTVFCGT-BZNIZROVSA-N 290.794 3.851 30 20 CHED C#CCCCCNC(=O)Nc1ccc(COC(C)C)cc1 152858953 HYADCAKYHZJDDP-UHFFFAOYSA-N 288.391 3.537 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)c2ccccc2)CC1 152964679 KEKSAHYEAKUFEX-GOSISDBHSA-N 272.436 3.768 30 20 CHED N#CCN(Cc1csc(-c2ccco2)n1)C1CCCC1 156643937 DQNXYAIDOHHTET-UHFFFAOYSA-N 287.388 3.671 30 20 CHED CCSCc1cccc(NC(=O)N[C@@H](CC)CC#N)c1 157520573 LXXGGXVTDCXZMV-ZDUSSCGKSA-N 291.420 3.753 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC[C@H](O)CCC)cc1 163638616 ZWCCMLVLZHDQGW-DZGCQCFKSA-N 297.826 3.630 30 20 CHED Cc1nc(-c2ccsc2)ccc1C(=O)NCCCCC#N 171500095 JXHJADDKLYCINN-UHFFFAOYSA-N 299.399 3.542 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C)cc1 172661898 OEDUDOUMZGMNMO-KBPBESRZSA-N 273.376 3.512 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(CCCCC#N)C1 174045513 GTDPVOLALSJLDE-CZUORRHYSA-N 260.356 3.902 30 20 CHED CC(C)(CNCc1ccc(C#N)o1)Cc1ccccc1 174406298 AIEGYKATBIJWON-UHFFFAOYSA-N 268.360 3.510 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1c1ncc(C#N)cc1Cl 176807132 AQDSHNMCFTUCMQ-IUODEOHRSA-N 297.789 3.989 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1ccc(F)cc1C#N 177577080 BDOYRGIGHHGFFK-NSHDSACASA-N 262.328 3.708 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)N(CC#N)c1ccccc1 178682437 AVLCNVPWJYHILF-LSDHHAIUSA-N 296.395 3.717 30 20 CHED Cc1ccc([C@H](C)NCc2ccccc2C#N)cc1[N+](=O)[O-] 179095152 YOCGVBYXQOIBTK-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED O=C(/C=C/c1ccccc1F)c1ccc(Cl)nc1 179414287 ROXRIHGSCHEGKG-FNORWQNLSA-N 261.683 3.770 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CCO[C@@H](CC)C2)C(C)C)c1 180165433 VZZDDSZICJRFTO-AEFFLSMTSA-N 299.414 3.615 30 20 CHED C[C@H](NCCCCCN1CCCCC1)c1cccc(C#N)c1 181979935 LYNIEECHAXELEI-KRWDZBQOSA-N 299.462 3.865 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1F 182064602 NPFGKSFEAAULPB-LBPRGKRZSA-N 298.317 3.677 30 20 CHED COCCCOc1ccccc1N[C@H]1CCC[C@H](C#N)C1 185741741 IPCKXIUNRDITCV-GJZGRUSLSA-N 288.391 3.596 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)Cc1ccc(C)s1 188437408 BVGMUXBLYZTKAU-ABAIWWIYSA-N 265.422 3.706 30 20 CHED C=CCC1(C(=O)Nc2cnn(-c3ccccc3F)c2)CCC1 189232187 GDZNHTJXSHIVSQ-UHFFFAOYSA-N 299.349 3.696 30 20 CHED C=CC[C@@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 189356815 OUGZYYVYKFTLOH-CQSZACIVSA-N 291.354 3.861 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C[C@H](C)CC 189863640 YOKJJEFJPZALRD-CYBMUJFWSA-N 263.356 3.777 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCCCOc1ccc(F)cc1 189960609 NIZJZQOIDYYEBR-KRWDZBQOSA-N 293.382 3.703 30 20 CHED CC[C@H](C#N)Oc1cc(CNCCC(C)C)ccc1OC 190754547 XTJSWSREBFLTEH-OAHLLOKOSA-N 290.407 3.512 30 20 CHED C=CCSCCN[C@H](C)c1cnn(C(C)(C)C)c1C 191352906 IBNIWDUFVARKCK-GFCCVEGCSA-N 281.469 3.516 30 20 CHED CC[C@@H](C)N(C)Cc1cc(C#N)ccc1Br 191811182 KNROTGUQFXYAPR-SNVBAGLBSA-N 281.197 3.551 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(Cl)nc1C 192495418 DOYUOKGVIHTXNW-UHFFFAOYSA-N 264.756 3.750 30 20 CHED C[C@H](C#N)CNCCCCc1cccc(C(F)(F)F)c1 192719668 MVFVGMLIOGAUFW-GFCCVEGCSA-N 284.325 3.777 30 20 CHED Cc1nnc(Nc2ccc(COC(C)C)cc2)c(C#N)c1C 194044169 DIQIPCKFQYUIER-UHFFFAOYSA-N 296.374 3.634 30 20 CHED COc1cccc2c1CCC[C@H]2NCc1cccc(C#N)c1 194845907 ATFGJRIJJYJKNJ-GOSISDBHSA-N 292.382 3.734 30 20 CHED Cc1cccc(OCCC(=O)Nc2cc(C#N)ccc2C)c1 195229060 XYEUFCJJKPNICP-UHFFFAOYSA-N 294.354 3.583 30 20 CHED CCCCCCCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 205521456 GVZQSHYXIICJLU-UHFFFAOYSA-N 278.352 3.918 30 20 CHED O=C(/C=C\c1cc(F)ccc1F)c1cccs1 206945049 COBOSCUGLAGGKR-UTCJRWHESA-N 250.269 3.922 30 20 CHED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1ccc(O)cc1 216292455 VXLYMPKTVKYQMC-XGICHPGQSA-N 293.366 3.889 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc(Cl)sc1Cl 218036613 VMMLMHGVAZLGAC-ZETCQYMHSA-N 291.203 3.677 30 20 CHED N#Cc1cccc(COc2ccc(Cl)cc2C=O)c1F 223544697 FZSKCFMDGKASAS-UHFFFAOYSA-N 289.693 3.742 30 20 CHED CCCCCCCCNC(=O)c1cc(C)oc1C 224403079 KQZPNCCYWFYOJG-UHFFFAOYSA-N 251.370 3.987 30 20 CHED CSC1(CNc2c(F)cc(C#N)cc2F)CCC1 227986611 AULZDILUBCAFAV-UHFFFAOYSA-N 268.332 3.534 30 20 CHED CCCC(CCC)C(=O)N(C)c1cccc(C#N)c1 228447746 OBKNOOWNYHSFFJ-UHFFFAOYSA-N 258.365 3.737 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Oc1cccc2[nH]ccc12 255845264 SHTTVTBIHGYFCG-HJWRWDBZSA-N 288.306 3.658 30 20 CHED C#CCCCSc1nnc(-c2ccccc2OCC)o1 270880500 OUTUUSZJTBTFGW-UHFFFAOYSA-N 288.372 3.641 30 20 CHED Cc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)o1 272283296 OZLDSFUUTLTMEM-ZDUSSCGKSA-N 266.344 3.800 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1cc2ccccc2s1 273259280 FLMBNXDUJIHLIK-STQMWFEESA-N 283.400 3.995 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CCO[C@@H](C(C)C)C2)c1C#N 273396142 VSEGUAKUIIIXIL-SMDDNHRTSA-N 293.798 3.531 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1c1ccccc1 273881780 LUJFEVXDHOGYFN-NVXWUHKLSA-N 287.403 3.721 30 20 CHED C=CCCc1nc([C@@H](OC)c2ccccc2Cl)no1 274130542 VXLMMSBXGYECCS-ZDUSSCGKSA-N 278.739 3.577 30 20 CHED Cc1ccc2oc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc2c1 274290197 CFYOWVRTZDQZFM-KRWDZBQOSA-N 284.359 3.799 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(COC(C)C)cc1 280969913 AAZIKTAPAQVHAX-INIZCTEOSA-N 275.392 3.696 30 20 CHED C[C@H](NCC1CCC(C#N)CC1)c1ccc(F)cc1F 282437191 NJLPZPKTUCNBBS-HIFPTAJRSA-N 278.346 3.945 30 20 CHED CC(C)CCN(CCC#N)Cc1cnc(C(C)(C)C)nc1 284260963 GJQAYSUXBJMMRA-UHFFFAOYSA-N 288.439 3.536 30 20 CHED Cc1cnn(C)c1/C=C1\CCc2c(Cl)cccc2C1=O 285155694 PBQHOXRIWCGQCM-DHZHZOJOSA-N 286.762 3.594 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1ccc(OCC(C)C)cc1 285654899 CPTFADYFLFRWNN-INIZCTEOSA-N 275.348 3.567 30 20 CHED CCOc1cccc([C@H](C)Nc2cc(C#N)ccn2)c1 286142974 HHUVAPMBNYWMMT-LBPRGKRZSA-N 267.332 3.525 30 20 CHED CC1(C)CC[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 286854000 BRSUJMOMRQREOV-GJZGRUSLSA-N 285.391 3.519 30 20 CHED C=CCCC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1OC 286932977 LOEJZAMAGKEESZ-ZBFHGGJFSA-N 287.403 3.961 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@@H]2CCC[C@H](C)C2)no1 288997705 SQFQRDHRBUXOFK-GXSJLCMTSA-N 271.320 3.803 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2csc(CC)n2)no1 289066458 YSTTZFFHDMCINR-CQSZACIVSA-N 277.393 3.533 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCC#N 291653289 DZIFRLTVNHVCKA-LBPRGKRZSA-N 287.388 3.571 30 20 CHED Cc1nc(-c2cccc(NC(=O)CCCC#N)c2)oc1C 292291987 KOGYNFPIUHWRKE-UHFFFAOYSA-N 283.331 3.591 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2ncc(C)s2)cc1 295785050 CUUDVACFXBNCAM-MDZDMXLPSA-N 286.400 3.804 30 20 CHED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(C#N)c1 301412249 AKCVMBSCMRUEIV-JTQLQIEISA-N 282.734 3.651 30 20 CHED CN(Cc1ccccc1O)c1ccc(C#N)c(Cl)c1 302677993 VJWWYETYVXOIMT-UHFFFAOYSA-N 272.735 3.554 30 20 CHED Cc1nc(N2CC[C@H](CC(C)(C)C)C2)ccc1C#N 307771504 GSTYQGHGCZADGZ-CYBMUJFWSA-N 257.381 3.524 30 20 CHED C=CCNC1(c2ccc(Br)cc2)CCC1 308832456 JVMSFQJCWSKBLY-UHFFFAOYSA-N 266.182 3.604 30 20 CHED N#C[C@@H]1CCC[C@H]1/N=C(/O)C(C1CCC1)C1CCC1 328611342 OJNXJSHUIPGPAO-UONOGXRCSA-N 260.381 3.852 30 20 CHED Cc1nccc(C/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)n1 328999638 KSWPVQVNJSISQD-NUEKZKHPSA-N 287.407 3.848 30 20 CHED C[C@@H]1CCC[C@H](C/N=C(/O)[C@H]2CCC(=O)c3cccn32)C1 329820290 ABZVSMZYKCKALQ-VNHYZAJKSA-N 288.391 3.789 30 20 CHED CC(C)C1CCC(C/N=C(/O)CCc2cnccn2)CC1 330040730 BKMOSVFZJILKSS-UHFFFAOYSA-N 289.423 3.828 30 20 CHED CC[C@H](/N=C(/O)N1CCC[C@@H]1CC)c1c(C)noc1C 330470861 MUFJBEDTIDTWSO-STQMWFEESA-N 279.384 3.531 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C(=N)O)c2ccccc21 332708459 ODJKLAOHOPYHHN-DYVFJYSZSA-N 286.375 3.644 30 20 CHED C[C@H]1CCN(C(=O)Nc2cccc(CC#N)c2)CC12CCC2 333205095 SCMMBXTZOORAKA-AWEZNQCLSA-N 297.402 3.797 30 20 CHED CCC1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCCCC1 333754496 YIKLZTBDBOQQSR-SFHVURJKSA-N 288.435 3.937 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C#N)o2)[C@@H]1c1cccc(F)c1 335558324 FACOFHAPDCBKSY-ZBEGNZNMSA-N 298.317 3.514 30 20 CHED Cc1nc(Oc2ccc(C#N)cc2F)c(Cl)cc1C#N 335918205 JMORHDWBJYSJBF-UHFFFAOYSA-N 287.681 3.718 30 20 CHED Cc1c(C(=O)N2CC[C@@H](C)C2)sc2ccc(C#N)cc12 336318209 FCCQWJFQUHFUQF-SNVBAGLBSA-N 284.384 3.563 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc(F)c1Cl 336529382 ZVFIQKVOQJDQEW-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1c(C#N)cccc1C(=O)N(CCC(C)C)C1CC1 337904867 UEFKMACUJVBZNH-UHFFFAOYSA-N 270.376 3.517 30 20 CHED CCC(=O)c1cccc(NCc2cccc(C#N)c2F)c1 342565950 LBPRAIGIJVVENF-UHFFFAOYSA-N 282.318 3.902 30 20 CHED CC1CCC(CNC(=O)Nc2ccc(F)c(C#N)c2)CC1 343170770 ORNCCSSIESNKLZ-UHFFFAOYSA-N 289.354 3.645 30 20 CHED CCCCCn1cc(CNc2nccc(C)c2C#N)c(C)n1 343527776 LQKPYYGLVUDHIU-UHFFFAOYSA-N 297.406 3.569 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Oc2cccnc2)cc1 344648671 DKISFEQEXDOEFG-GFCCVEGCSA-N 283.331 3.570 30 20 CHED CO[C@H]1CCOc2c(NCCC(C)(C)C#N)cccc21 345406944 LWMMDAHOYSHWOO-AWEZNQCLSA-N 274.364 3.508 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H](C)C1 345462123 UIBUHVZSJDHXNM-PBHICJAKSA-N 282.387 3.509 30 20 CHED COc1ccc(Br)cc1SCC1(C#N)CC1 347061997 BMFQHPVHSOXTFQ-UHFFFAOYSA-N 298.205 3.854 30 20 CHED N#CCCN(Cc1cccnc1)Cc1ccc2occc2c1 347651637 LYORBYWPEKHYNS-UHFFFAOYSA-N 291.354 3.744 30 20 CHED Cc1nc(C(=O)Nc2csc3ccccc23)ccc1C#N 352207058 SJFUPCRQTSSDAN-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CS[C@@H]1CCC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 353278867 SOZVNQPZQRLRRD-INMHGKMJSA-N 286.444 3.809 30 20 CHED Cc1cc(CN2CC(C)(C)[C@H]2c2ccncc2)ccc1C#N 353700724 XYKXOUVDARAJMX-GOSISDBHSA-N 291.398 3.845 30 20 CHED C=C(C)CCc1noc(-c2cc3cc(Cl)ccn3n2)n1 354042417 MZZWYQUQEIXZPD-UHFFFAOYSA-N 288.738 3.546 30 20 CHED C=CCCC1(C(=O)Nc2cc(CN(C)C)ccc2C)CC1 356303063 NAVARTDRELYRTQ-UHFFFAOYSA-N 286.419 3.742 30 20 CHED C=CCCO[C@H](C)c1nc([C@H]2CCc3ccccc32)no1 356658760 ZRXNQYIQCAALMV-DOMZBBRYSA-N 284.359 3.801 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(-n3cccc3)c2)s1 357345746 KVSLYWGJHHYZPN-UHFFFAOYSA-N 293.351 3.663 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCC(C)(C)C1 359014889 YYHFNZITQKZESF-GFCCVEGCSA-N 256.349 3.632 30 20 CHED C=CCOCCCSCc1nccn1-c1ccccc1 359128366 YHGNSCVVKCURQE-UHFFFAOYSA-N 288.416 3.698 30 20 CHED Cc1cc(C)c2cc(CN(C)[C@@H](C)CC#N)[nH]c2c1 360868736 AQIVBAAUYPUZDV-ZDUSSCGKSA-N 255.365 3.519 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)nc1 361933816 GGPGDJGYVUXSRB-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CC[C@@H](NC(=O)c1ccc(C#N)s1)c1cccs1 362908630 HOIWUOHSXSNGSP-SNVBAGLBSA-N 276.386 3.562 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 382454980 ILEVWSBGLHWJEP-RRFJBIMHSA-N 296.455 3.767 30 20 CHED C=CC(C)(C)CNCc1cc(Cl)ccc1[N+](=O)[O-] 384872017 RHHYMDXCRVJWMK-UHFFFAOYSA-N 268.744 3.550 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 393793009 MYUOHXLKYSQIJD-TZMCWYRMSA-N 262.353 3.909 30 20 CHED C#CCCCNc1cc(Br)ccc1OCC 393825371 OXJGGOYFKZKENK-UHFFFAOYSA-N 282.181 3.673 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(-c2ccc(C)cc2)no1 410139886 NIWMHWUBNLHVKX-AWEZNQCLSA-N 284.359 3.735 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc2ccc(C)nc12 410443440 IDNJCQXJNOZMIW-UHFFFAOYSA-N 254.333 3.694 30 20 CHED C[C@H]1C[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)CC[C@H]1C 410673884 KTCLZYWWMBFIQM-DVZHBHJUSA-N 264.413 3.503 30 20 CHED COc1cccc(C2(F)CCN([C@H](C)CCC#N)CC2)c1 411674479 UXXUVANBSLUXNV-CQSZACIVSA-N 290.382 3.648 30 20 CHED CSCCCSc1cc(C)c([N+](=O)[O-])cc1C#N 413330022 XXOSIIHTHULARD-UHFFFAOYSA-N 282.390 3.620 30 20 CHED C=CCCC(=O)N1CC[C@@H](c2ccccc2)C1(C)C 421723944 YLWAMZPOQWRKLF-HNNXBMFYSA-N 257.377 3.747 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@@H](SC)C(C)(C)C 426220917 VHRQSSRYVDCFFG-CHWSQXEVSA-N 284.469 3.514 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2ccc(C)cc2[nH]1 428049409 OBCFLKCDUQCXGY-CQSZACIVSA-N 268.360 3.657 30 20 CHED C[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 429549181 POJKDEUFTUVLEJ-ZWNOBZJWSA-N 291.782 3.864 30 20 CHED CCN(Cc1ccccc1Cl)[C@@H]1CC[C@H](C#N)C1 429704901 BRCSRCBHULQDGM-GXTWGEPZSA-N 262.784 3.854 30 20 CHED N#CCC1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CC1 430742504 OWRNQMLGNGLFFK-QGZVFWFLSA-N 279.387 3.609 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc2c(C)cc(C)cc2[nH]1 435731183 JXLJBFYJIBAWIJ-DNVCBOLYSA-N 298.430 3.856 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCc2ccc(F)cc21 436313669 XGXJVJKLVYGZNW-WBAXXEDZSA-N 289.394 3.774 30 20 CHED CN(Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 437424099 CDWCXTYSBDBYMJ-UHFFFAOYSA-N 280.318 3.534 30 20 CHED CCCCOc1ccccc1N[C@@H]1CC[C@@H](C#N)C1 442856614 OIFQJJYRXSGZOS-ZIAGYGMSSA-N 258.365 3.970 30 20 CHED Cc1cc2ncn(Cc3ccc(C#N)c(C)c3)c2cc1C 447318018 HTVVIPGQALCOIY-UHFFFAOYSA-N 275.355 3.882 30 20 CHED CCC[C@@]1(COC)CCCN1CCCCC(C)(C)C#N 447396419 VSPZJVOESVLAEP-KRWDZBQOSA-N 280.456 3.988 30 20 CHED N#C[C@@H]1CCC[C@@H](NCC[C@H]2CCc3ccccc32)C1 449379574 TXYUFBRBQUMOSE-DJIMGWMZSA-N 268.404 3.778 30 20 CHED CC(C)[C@H]1CN(CC(C)(C)CCC#N)[C@H]1C(C)C 449559877 ZOYRDWHKPBNNNM-CABCVRRESA-N 250.430 3.929 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc(CS(=O)(=O)CC)cc1 449771159 FIVYDIDVHMJGKP-KBPBESRZSA-N 295.448 3.634 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 450152819 QMTKWQYGRYRTTI-ZDUSSCGKSA-N 291.366 3.756 30 20 CHED CCCc1ccc2nccc(N(C)CCC#N)c2c1 450209878 YRFMZSKXRFZHNR-UHFFFAOYSA-N 253.349 3.537 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ncccc1SCC 450423669 JGSGJYLVHDLACO-LBPRGKRZSA-N 278.421 3.668 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C)nc1C(C)C 450656013 ZNEFDYLWIHUQRM-ZDUSSCGKSA-N 274.408 3.988 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cnc(OC)c(Cl)c1 453314216 XWIIZZAGVXHVCY-SNVBAGLBSA-N 268.788 3.606 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1c(C)cc(C)nc1C 455477467 FIYNRSYYILBMDJ-GFCCVEGCSA-N 275.396 3.873 30 20 CHED CC[C@@H]1CCCCN1C(=O)Nc1cc(C)cc(C#N)c1 455998908 KHPQXQWZENQXEE-OAHLLOKOSA-N 271.364 3.663 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)CCCCC1 456364480 JTSJFWXBDRSFHG-CVEARBPZSA-N 293.451 3.977 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCO[C@H]2CC)cc1Cl 459748873 XPEURVGRRTXPQQ-CABCVRRESA-N 295.810 3.562 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H](C)Oc2ccccc2C)n1 463086778 SRYMFBDUVUCBHN-OAHLLOKOSA-N 295.386 3.758 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 464752957 QNQAYOBHYHGAKR-LRDDRELGSA-N 290.382 3.931 30 20 CHED CO[C@]1(C)C[C@@H](Nc2cc(Cl)ccc2C#N)C1(C)C 467018314 HMQHKINIBAEYCW-UKRRQHHQSA-N 278.783 3.827 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1c(F)cccc1F 467810076 RMWHQANFAFNHLC-LLVKDONJSA-N 279.330 3.910 30 20 CHED C=CCOCCCN1CCC[C@H]1/C=C/c1ccccc1 470777360 UXINCCHXZVZJJM-DXRVJIQQSA-N 271.404 3.757 30 20 CHED Cc1sc(NC(=O)[C@@H](C)c2ccccc2)c(C#N)c1C 483919645 XZWDDTJRTISOCB-NSHDSACASA-N 284.384 3.979 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)c(CC)s1 488827333 ARKPXBPBYYGPRW-GFCCVEGCSA-N 263.406 3.800 30 20 CHED C=CCN(C)C(=O)[C@@H](CC1CCCCC1)C(C)C 490075092 WIJQQOMVSZRZEG-HNNXBMFYSA-N 251.414 3.873 30 20 CHED Cc1ccc(C(C)(C)CNCc2cc(C#N)n(C)c2)c(C)c1 491511053 BBZGORLQGGAXCL-UHFFFAOYSA-N 295.430 3.581 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cccc(-c2ccccn2)c1C 491639279 YRJTZFWVZPQGHB-HNNXBMFYSA-N 292.382 3.589 30 20 CHED C=CCC[C@@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 497232237 UCTYHVVEFJYVIX-MRXNPFEDSA-N 284.403 3.745 30 20 CHED C=CC[C@@H](CO)CNC1c2ccccc2-c2ccccc21 498748818 PRNGKUMTGNATQH-CQSZACIVSA-N 279.383 3.531 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCc1cccs1 499311043 RUUDBAWXUCYHGC-UHFFFAOYSA-N 299.439 3.938 30 20 CHED Cc1cc(OCc2cnc3ccccc3c2)ccc1C#N 499990996 POZLIRYJSNQHNH-UHFFFAOYSA-N 274.323 3.994 30 20 CHED Cc1ccc(CCN(C#N)c2ccc(F)c(C#N)c2)cc1 503917174 WCVSNWNITNAYQY-UHFFFAOYSA-N 279.318 3.536 30 20 CHED CC1CCC(CC(=O)N[C@@H](C#N)C2CCCCC2)CC1 506541620 XKZPYIOJUDCEDH-XUJLQICISA-N 276.424 3.791 30 20 CHED N#Cc1csc(CN2CC[C@@H](COc3ccccc3)C2)c1 507713768 LSBLKSAUDRNYGS-CQSZACIVSA-N 298.411 3.521 30 20 CHED CN(CC1CCCCC1)C(=O)NCC(C)(C)CCC#N 513112986 IERWJMYGFWLIIJ-UHFFFAOYSA-N 279.428 3.538 30 20 CHED CCCCCOc1ccc(CN(C)[C@@H](C)CC#N)cc1 513730305 XVZUJADTPVWGJP-HNNXBMFYSA-N 274.408 3.990 30 20 CHED C=CCn1cccc1C(=O)N1CCc2cccc(F)c2[C@H]1C 515196006 QOOTYBOOIQIQNI-CYBMUJFWSA-N 298.361 3.573 30 20 CHED C=CCOc1ccccc1CNC(=O)Nc1cccc(C)c1 520385411 BMDAZUBJOXFXRF-UHFFFAOYSA-N 296.370 3.882 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)C[C@H]2CCC[C@@H](C)C2)C1 523971807 ZMWNKEBJKRFGNF-WBTNSWJXSA-N 276.424 3.791 30 20 CHED CC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CCCCC1 525837723 GFUFJLOLWFZFPQ-AWEZNQCLSA-N 290.794 3.991 30 20 CHED CCN(C(=O)c1ccc(C)cc1OC)c1ccc(C#N)cc1 527325733 CUKCRXAIDGVWNE-UHFFFAOYSA-N 294.354 3.542 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc2cc(OC)ccc2c1 538197903 MKSVWYNAVUDVNE-CABCVRRESA-N 299.414 3.684 30 20 CHED N#Cc1ccc(Cl)cc1NCCSCC(F)(F)F 538764135 PCBRBBWWNWNZIL-UHFFFAOYSA-N 294.729 3.919 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 539299344 XYBRMCBUHBNXKS-XKQJLSEDSA-N 293.838 3.750 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1cc2ccccc2o1 539388175 JWPCYCRXWKSNAL-CYBMUJFWSA-N 286.375 3.977 30 20 CHED Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1F 539603927 ATZUHVUUNUGOBS-LBPRGKRZSA-N 286.325 3.996 30 20 CHED CCCN(CC#N)C(=O)CCCc1ccc2ccccc2c1 540506379 GYRYLYSGHUMLRD-UHFFFAOYSA-N 294.398 3.925 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)CC1(C#N)CC1 540549409 MRYALDVKQKUJBU-MRXNPFEDSA-N 256.393 3.552 30 20 CHED C=CCCCN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 541688351 QYUHIRAVWBIKSB-GFCCVEGCSA-N 289.354 3.801 30 20 CHED C=CCC[C@@H](C)NCc1cc(OC)ccc1Br 541741061 GGTNLOXUVXWGFY-LLVKDONJSA-N 298.224 3.902 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@@H](C)Sc1ccccc1 543107359 HTCOVKVPEBFFAF-ZIAGYGMSSA-N 292.448 3.821 30 20 CHED N#C[C@H](C(=O)c1cccc(C2CCC2)c1)c1ccccn1 545972994 QXILSUNCULTNNS-INIZCTEOSA-N 276.339 3.839 30 20 CHED C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)[C@H](C)c1ccccc1 547764305 CTYHIYWPYGCQST-QWHCGFSZSA-N 296.345 3.619 30 20 CHED N#Cc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1Cl 547971707 BHEYIWPGAZFGCZ-MRXNPFEDSA-N 296.757 3.799 30 20 CHED C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 548307551 CZEQDNAOTADWLZ-LLVKDONJSA-N 290.794 3.720 30 20 CHED N#Cc1c(Cl)cccc1N1CCC[C@@H]1c1ccccn1 556196665 WEWSKGSTTQQVBT-MRXNPFEDSA-N 283.762 3.948 30 20 CHED CCCC[C@H](CC)CNC(=O)NCC(C)(C)CCC#N 562180359 DOJMQNBHGHXFBB-AWEZNQCLSA-N 281.444 3.832 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c(Cl)c1 562694101 ADYWSOYZPOIBAF-GRYCIOLGSA-N 274.751 3.586 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@H](CC2CC2)C1 567848321 SAPDZFBWUQMWTC-CQSZACIVSA-N 283.375 3.521 30 20 CHED COc1ccc([C@H](C)CN2CCCC(C)(C)[C@@H]2C#N)cc1 570273589 KKDUXUYKJSLNMW-PBHICJAKSA-N 286.419 3.813 30 20 CHED C=CCn1c(C)nnc1SC[C@H]1CCCC[C@H]1C 570651232 SFGZSIZETMYVHM-DGCLKSJQSA-N 265.426 3.691 30 20 CHED C=CCCCCS(=O)(=O)c1ccccc1C(F)(F)F 572333971 ZUROIURFGPNUPW-UHFFFAOYSA-N 292.322 3.835 30 20 CHED CCC[C@]1(C)CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 575915534 WLLRZOGLKUBLFO-MRXNPFEDSA-N 287.363 3.873 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2ccccc2CC#N)CC1 578179519 BKRYZQAGYCYVHE-CTYIDZIISA-N 270.376 3.908 30 20 CHED Cc1cc(C)cc(OCCCON=C2CCCOCC2)c1 588398694 RSRSSJZDJACFRJ-UHFFFAOYSA-N 291.391 3.645 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)CCc2cc(F)ccc21 588523954 LGCPJRSLYXYFCN-GHXNOFRVSA-N 271.266 3.572 30 20 CHED CC(C)C[C@H](C)CN[C@H]1CCc2cc(C#N)ccc21 589176663 ZIPSMVIMCMROEY-GUYCJALGSA-N 256.393 3.817 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 593457452 LPCATYDSVPKVJM-LBPRGKRZSA-N 299.399 3.915 30 20 CHED COC[C@@H](CC(C)(C)C)Nc1cccc(CC#N)c1 593632532 BONRGFRFTGHBEZ-OAHLLOKOSA-N 260.381 3.616 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1ccccc1CCC(F)(F)F 594086208 QFFYDKGKMLWODD-LBPRGKRZSA-N 298.308 3.556 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCC1CCCCCC1 594235833 IBQANIMRZRAUOO-AWEZNQCLSA-N 264.413 3.745 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)N1CCC[C@H](CC#N)C1 595590244 JEWXMYYMGXIRNC-GOEBONIOSA-N 291.439 3.681 30 20 CHED N#CCC1(CSCc2cc(-c3ccco3)on2)CC1 596339076 PEBMFYYAJPDOLJ-UHFFFAOYSA-N 274.345 3.862 30 20 CHED CC[C@H](CC#N)N[C@H](CC)Cc1ccc(Cl)cc1 597086973 QANIABFDMHAXMO-HUUCEWRRSA-N 264.800 3.943 30 20 CHED CCOc1ccc(CN2CCC[C@@H](CC#N)C2)c(C)c1 597177873 ROAQEHFHZKPHKW-HNNXBMFYSA-N 272.392 3.519 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(CSC)cc2)C1 597999616 VELNFXYZVBZLNM-CQSZACIVSA-N 289.444 3.978 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc2ccn(C(F)F)c2c1 598061135 IMZWJUONKSINIP-SECBINFHSA-N 277.274 3.525 30 20 CHED CC(C)(C#N)C[C@H](O)CN[C@H](c1ccccc1)C(C)(C)C 598594498 KWDNRLVFWGUGJE-JKSUJKDBSA-N 288.435 3.664 30 20 CHED CCCCc1ccc(NC[C@@H](O)CC(C)(C)C#N)cc1 598725477 GGLMEFIBNJKTEN-INIZCTEOSA-N 274.408 3.742 30 20 CHED C=CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C 598872370 RSWRCCDZEJSIQM-LBPRGKRZSA-N 290.363 3.511 30 20 CHED CCC[C@@H](C(=O)N(C)C[C@@H](C)C#N)c1cccc(Cl)c1 599140710 AAVZFZLMNVEIDH-SWLSCSKDSA-N 292.810 3.842 30 20 CHED N#Cc1cc(N2CCC[C@H]2c2cccs2)nc(C2CC2)n1 601100265 JPIAOHHJAYFFEY-ZDUSSCGKSA-N 296.399 3.629 30 20 CHED COCc1cc(C#N)ccc1NCCC1CC(F)(F)C1 603394463 MBLASIUYXIRIOO-UHFFFAOYSA-N 280.318 3.552 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC(c2ccccc2F)CC1 605605566 MYDKZRUPBWPMNA-CYBMUJFWSA-N 290.382 3.679 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)c1ccco1 607500307 SPJWCVJPXCSZDO-CQSZACIVSA-N 275.392 3.978 30 20 CHED Cc1ccc(CCC(=O)N[C@@H](C#N)CC(C)C)cc1Cl 608821818 WERXMCCYMQZXKZ-CQSZACIVSA-N 292.810 3.636 30 20 CHED N#Cc1cc2c(nc1N[C@H]1CCc3ccc(F)cc31)CCC2 609288205 HJAZOQYYACYFKZ-KRWDZBQOSA-N 293.345 3.680 30 20 CHED CC(C)Cc1ccc([C@H](C)NC2CCN(CC#N)CC2)cc1 610812563 BIGINSZZIQWGGB-INIZCTEOSA-N 299.462 3.524 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1ccc(C#N)cc1 611298765 XSMKIPKGBWGOMF-YVEFUNNKSA-N 284.334 3.885 30 20 CHED CC(C)(C#N)CN[C@H]1CCC[C@@H]1c1ccc(F)cc1 613540409 WATNDBASNHIPGH-CABCVRRESA-N 260.356 3.601 30 20 CHED C=CCC1(NC(=O)CC2(C)CCCCC2)CCOCC1 618248551 LOFCPIHEKWSVRB-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=CCN(C(=O)c1cccc(C2CC2)c1)C(C)(C)C 622945706 OURRUBAQQKDUDB-UHFFFAOYSA-N 257.377 3.991 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCOc2ccccc2[C@@H]1C 622988484 HVNISQFEIWBAIO-ZDUSSCGKSA-N 273.376 3.571 30 20 CHED C=CCC1(CNCc2cnc(C3CC3)o2)CCCC1 628300352 BIRABKIBSZASCU-UHFFFAOYSA-N 260.381 3.778 30 20 CHED C=CC[C@@H]1CCCN([C@@H](C)c2cc(C)c(C(=O)O)o2)C1 656759923 LRTCRYOZXQXSDF-QWHCGFSZSA-N 277.364 3.635 30 20 CHED C=CCCC[C@H](C)NCc1cncc(Br)c1C 657429790 WVQONDGGAVKDFQ-NSHDSACASA-N 297.240 3.987 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 664332717 GDRWPXWFAZHCDL-GFCCVEGCSA-N 262.328 3.646 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](C2CCC2)C1)c1ccccc1 665682816 JOMLZDHGMSSIPG-QAPCUYQASA-N 283.415 3.995 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccn(CC)n1 667713914 RZXYRWUQQPJAGH-UHFFFAOYSA-N 298.390 3.513 30 20 CHED C=C(C)Cn1c(-c2cccnc2)nnc1N(CC)[C@H](C)CC 669303837 PDUYOAMTDXFWHE-CQSZACIVSA-N 299.422 3.541 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](CC)C1CCCCC1)OCC 677302962 JBEDZEGNODQZHB-HZPDHXFCSA-N 281.440 3.833 30 20 CHED C=CCCOCC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 681697753 XUMPWKKWHHFDFJ-QGZVFWFLSA-N 287.403 3.506 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCc2c(F)cc(F)cc21 684766110 FZDKCDHFJOIBEF-GOPGUHFVSA-N 293.357 3.523 30 20 CHED C=CCCSCCNc1nc2ccccc2cc1C#N 696060613 UDZCBQWCRNADGL-UHFFFAOYSA-N 283.400 3.828 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cn1 728796933 SHEHDFPWOCVHKK-UHFFFAOYSA-N 291.137 3.622 30 20 CHED COc1ccc2[nH]cc(CC/N=C\c3ccccc3O)c2c1 733080952 HOBLXVMLMOYHMN-ODLFYWEKSA-N 294.354 3.544 30 20 CHED CCOc1ccccc1C=NOCc1cccnc1Cl 733192583 HYNHSHWGQUCMDJ-UHFFFAOYSA-N 290.750 3.684 30 20 CHED C=CC[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccncc1 734236779 GJIRORQWQGFFBC-HJWJTTGWSA-N 284.403 3.641 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc(SC)cn2)c1 734767111 PMVHIPGRTHFOKC-UHFFFAOYSA-N 299.424 3.594 30 20 CHED C=C(Br)COC(=O)/C=C\C1CCCCC1 735565344 PIOAEGOHFOTALP-FPLPWBNLSA-N 273.170 3.575 30 20 CHED C=C(Cl)CNC(=O)[C@H](CC)CC1CCCCC1 736246368 ZTEPURHRDQZYTB-CYBMUJFWSA-N 257.805 3.852 30 20 CHED C=CCCC(=O)O[C@H](CC)c1ccc(F)cc1F 739273291 XWJCTZDRMZVCLC-CYBMUJFWSA-N 254.276 3.925 30 20 CHED C=CCCN[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C 739915937 UQTUWVJKTCFGFU-PBHICJAKSA-N 296.455 3.626 30 20 CHED C=CCCCON=Cc1ccc(OC(C)C)c(OC)c1 740872554 HJWZTGZKIDBZBK-UHFFFAOYSA-N 277.364 3.799 30 20 CHED CCC(=NNc1ccc(Cl)c(C(=O)O)c1)C1CC1 741159982 IJAVXXDNCPVRCV-UHFFFAOYSA-N 266.728 3.626 30 20 CHED Clc1cccc(NN=Cc2c[nH]c3ncccc23)c1 741756635 ITJCDRXBDQGGMS-UHFFFAOYSA-N 270.723 3.662 30 20 CHED COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1C 743495374 DQGHQHCBMCRWOE-CQSZACIVSA-N 280.371 3.726 30 20 CHED C[C@@H](/N=C\c1ccccc1O)c1ccc(-n2cccn2)cc1 743501420 LPYWVYROODIDAD-RMENWYJGSA-N 291.354 3.758 30 20 CHED C[C@H]1CC(OC(=O)c2cccc(C#N)c2)C[C@H](C)C1 744214054 JOIYSUWUNMMIQX-VXGBXAGGSA-N 257.333 3.540 30 20 CHED CC(=NN=Cc1cccc(Cl)c1Cl)c1cnccn1 745202349 YDGSVKVRZDNNNH-UHFFFAOYSA-N 293.157 3.627 30 20 CHED CC1(C)C(=NNc2cc(F)c(F)c(F)c2)[C@@H]2CCCO[C@H]21 747641753 FQHYDJPINCQECC-LKFCYVNXSA-N 298.308 3.707 30 20 CHED CC(=NNc1cncc(Cl)n1)c1coc2ccccc12 747753751 VWDJZPJJCCVPMA-UHFFFAOYSA-N 286.722 3.712 30 20 CHED C=CCCCC(=O)Nc1cccnc1OCc1ccccc1 748524882 GFRUOEAWFNRXMG-UHFFFAOYSA-N 296.370 3.955 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C\c1cccc(O)c1O 749929703 DGWBBURMCLXUFS-QQLLQUGPSA-N 279.405 3.581 30 20 CHED COc1ccc(NN=Cc2cn[nH]c2-c2cccs2)cc1 750921858 LLAUALXXGGXKHG-UHFFFAOYSA-N 298.371 3.593 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2cccc(C)c2C)o1 751512907 HOMHPFMNEBQFHL-CSKARUKUSA-N 298.338 3.969 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1ccc(F)cc1C#N 753508193 JGDFGAJEVQYFAU-UHFFFAOYSA-N 277.339 3.813 30 20 CHED CCCCCC[C@@H](C)NN=C1CCC(C(=O)OC)CC1 754949787 LWANSGKDQJSXNW-KWCCSABGSA-N 282.428 3.654 30 20 CHED CCc1nc(C=NNc2ccc(F)cc2C)cs1 755801810 OVAFMJHDGLOISD-UHFFFAOYSA-N 263.341 3.599 30 20 CHED c1ccc(C[C@H]2CCCC2=NO[C@@H]2CCCCO2)cc1 755820933 NOIDINDUDPUFLM-NVXWUHKLSA-N 273.376 3.928 30 20 CHED CC(=NNc1cc(C)ccn1)c1ccc(C)c(C)c1 755900130 KNZGMNPOKMCFCZ-UHFFFAOYSA-N 253.349 3.843 30 20 CHED C=CCC[C@@H](NCc1ccc(-c2ccccc2)cc1)C(=O)O 756388748 PBZLPBDDTJLFJF-GOSISDBHSA-N 295.382 3.863 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 757597623 GXGBSNUUWRAJAW-MRXNPFEDSA-N 283.758 3.834 30 20 CHED COCCCC(C)=NNc1cccc(C(F)(F)F)c1 759180437 ZMIATHCLFULBSY-UHFFFAOYSA-N 274.286 3.920 30 20 CHED C#CCCNc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C 760297069 PEYDURMJCGSGRY-GJZGRUSLSA-N 298.430 3.548 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\Cc1ccc(F)cn1 763098500 YBHLVNMLAAHQAF-ZWSORDCHSA-N 299.132 3.852 30 20 CHED CCCNN=C(C)c1ccc(SC)cc1Cl 763354491 PJPPONQVRQUTMD-UHFFFAOYSA-N 256.802 3.786 30 20 CHED CC(C)[C@H]1CC[C@H](C)CC1=NNc1ccc(C(=O)O)cn1 763377682 STPIMLJTBVRZAL-WCQYABFASA-N 289.379 3.640 30 20 CHED Cc1cc(OC(=O)C[C@@H](C)c2ccccc2)ccc1C#N 765112850 JKTLKWWDLBKLKE-CQSZACIVSA-N 279.339 3.966 30 20 CHED CCC1(C)CCC(=NNCCOCC(F)(F)F)CC1 765592893 HESKZHWSVTULAM-UHFFFAOYSA-N 280.334 3.501 30 20 CHED CCc1ccc(/C=C/C(=O)c2cc(C(=O)OC)co2)cc1 766503107 UHYRQPSLHASIHE-CMDGGOBGSA-N 284.311 3.525 30 20 CHED Cc1cc(NOCC(C)C)n2c(nc3ccccc32)c1C#N 766919010 ARXXHWZHBVPKKC-UHFFFAOYSA-N 294.358 3.667 30 20 CHED Cc1n[nH]cc1C=NNc1c(Cl)cc(F)cc1Cl 767909728 MHYXDPQSQLHCER-UHFFFAOYSA-N 287.125 3.610 30 20 CHED Cc1ccc(OCC(=O)OCCCCC(C)(C)C#N)cc1 768494053 XRBMAXRTFSPFIS-UHFFFAOYSA-N 289.375 3.637 30 20 CHED COc1ccsc1C(=O)/C=C/c1cc(C#N)cs1 769744010 CIMVYUJWZLPOIY-NSCUHMNNSA-N 275.354 3.586 30 20 CHED COc1cccc(-c2n[nH]cc2/C=C\C(=O)c2ccco2)c1 769783313 CALDZUYAJLMKGG-FPLPWBNLSA-N 294.310 3.574 30 20 CHED CSCc1c(C(=O)OC[C@H](C)C#N)oc2ccccc12 770949780 MOPYTMQGUHNTDW-SNVBAGLBSA-N 289.356 3.612 30 20 CHED Clc1cscc1C=NNCCCc1ccccc1 771884248 LHXMNGVOMNJOSP-UHFFFAOYSA-N 278.808 3.958 30 20 CHED CCC1CCC(=NNc2nccnc2C(C)C)CC1 773093318 KGZNAEDONLYAFH-UHFFFAOYSA-N 260.385 3.968 30 20 CHED CCc1ccc(/C=C\C(=O)c2sccc2O)s1 773149022 JYHQWHQWYVSODD-WAYWQWQTSA-N 264.371 3.974 30 20 CHED O=C1C/C(=C/c2c(F)cccc2F)C(=O)c2ccccc2N1 774145087 MLJZZHZMCFFLMA-NTMALXAHSA-N 299.276 3.573 30 20 CHED CCOCCON=C1CCC[C@H]1c1ccc(C)cc1 774423322 UCXBYROIHXEDBU-HNNXBMFYSA-N 261.365 3.672 30 20 CHED CC#CCCCC(=O)OCc1cnc(C(C)(C)C)s1 774542758 OYFALQWHMLABQL-UHFFFAOYSA-N 279.405 3.677 30 20 CHED C=C[C@H](CC)OC(=O)/C=C/c1ccc2[nH]ccc2c1 776104987 NPVCCIDXLJXBPC-IZPAUZPXSA-N 255.317 3.689 30 20 CHED Cc1noc(C)c1C=NNc1ccccc1OC(F)(F)F 777453928 VFTLQFNSDUGGIC-UHFFFAOYSA-N 299.252 3.636 30 20 CHED FC(F)(F)CCON=C1CCSc2ccccc21 777463762 GGDLKIGTLLNDLZ-UHFFFAOYSA-N 275.295 3.856 30 20 CHED CCCCc1oc2ccccc2c1C=NN1CCCNC1=O 777901336 DZJKKQFOXJKOPQ-UHFFFAOYSA-N 299.374 3.525 30 20 CHED CCC(=NNc1ccccc1C(=O)O)c1ccccc1F 778541017 VVVFRHWFLMIAHY-UHFFFAOYSA-N 286.306 3.750 30 20 CHED COc1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1 779461084 VAMMALVLYBKUOM-AATRIKPKSA-N 273.719 3.640 30 20 CHED CC(CCc1cccc(F)c1)=NNc1ccnc(F)c1 781128408 VVBNBWRSSBNFBF-UHFFFAOYSA-N 275.302 3.780 30 20 CHED Cc1cc(COC(=O)CCC(C)(C)C)ccc1C#N 783747149 VQQVLIFVFOLZEF-UHFFFAOYSA-N 259.349 3.736 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1cc(C#N)cc(Cl)n1 783864078 PEUXDIUTKDRKGH-PWSUYJOCSA-N 276.771 3.831 30 20 CHED CCCCC[C@@H](NC(=O)NCCCC#N)C(C)(C)C 784319226 HBBORNDNOZWMTO-CYBMUJFWSA-N 267.417 3.584 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2cn[nH]c2)c1 785618568 YECLCVBNBVIDCH-INIZCTEOSA-N 269.348 3.618 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(C)c(OC(C)C)c1 785694181 VIUYWCFNBMZKPJ-UHFFFAOYSA-N 273.376 3.770 30 20 CHED C=C[C@H]1CCCCN1Cc1c(O)ccc(Cl)c1F 787311679 YDVMYDJKIRETRA-JTQLQIEISA-N 269.747 3.725 30 20 CHED C[C@H](Oc1ccc(C(=O)O[C@H](C)C#N)cc1)c1ccccc1 788222671 JXHJHIWJAWNKDB-KGLIPLIRSA-N 295.338 3.895 30 20 CHED CCC(O)(CC)CC/N=C/c1c(O)ccc2ccccc12 788284035 AOLGIQPLUJFUAW-CPNJWEJPSA-N 285.387 3.906 30 20 CHED C[C@@H](N[C@@H]1CCc2ccc(Cl)nc21)c1cccc(C#N)c1 788610851 MOAQKEJJOPLEMF-IAQYHMDHSA-N 297.789 3.945 30 20 CHED C=C(Cl)CN[C@H](C)c1cccc(C(F)(F)F)c1O 788646877 TUJOWGBNAVVBKM-MRVPVSSYSA-N 279.689 3.814 30 20 CHED CC[C@@H](C)NN=Cc1cnc(C2CCCC2)s1 790181587 FJQKILIBDBRXMS-SNVBAGLBSA-N 251.399 3.523 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1cc2ccccc2o1 790309207 ZGALGRZEXZNPIK-UHFFFAOYSA-N 299.261 3.926 30 20 CHED CCCCCCCCOc1c(OC)cccc1C(N)=O 790489113 NYFWDDHACRTVMZ-UHFFFAOYSA-N 279.380 3.533 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccc2c(c1)CCCC2 792872961 RHIIWTNGABRGAW-CSKARUKUSA-N 280.371 3.503 30 20 CHED CCCCCC[C@H](C)NN=C1CC[C@@H](CC(=O)OC)[C@@H]1C 794514510 CQOUEXSRHNANMK-KKUMJFAQSA-N 296.455 3.900 30 20 CHED C[C@@H]1COCC[C@@H]1C/N=C\c1c(O)ccc2ccccc12 794677964 YSMWDGKRTOJUQA-INKZYSQNSA-N 283.371 3.637 30 20 CHED Fc1cccnc1NN=C1CCc2cc(Cl)ccc21 794989648 JAHKFUXYQYFQDA-UHFFFAOYSA-N 275.714 3.637 30 20 CHED CCc1ccc(C(C)=NNc2cccc(F)n2)cc1 795005661 BZFMIDOBSRKQBW-UHFFFAOYSA-N 257.312 3.619 30 20 CHED C=CCC[C@H](NCc1cccc(F)n1)c1ccco1 796837657 PZISZUKPQDJTKZ-ZDUSSCGKSA-N 260.312 3.611 30 20 CHED C=CCCCCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 797272946 TVYZJSQNOFSPTP-UHFFFAOYSA-N 291.347 3.772 30 20 CHED N#C[C@@H](C(=O)CC1CC(c2ccccc2)C1)c1ccccn1 798815587 ANOYNBGOPXALMS-BDVYOWHSSA-N 290.366 3.842 30 20 CHED CC(=NNCc1ccccc1Cl)c1coc(C(C)C)n1 799477946 NBYWJPRSIMZQAD-UHFFFAOYSA-N 291.782 3.965 30 20 CHED COCC[C@@H]1CCCC1=NNc1cc(F)c(F)cc1F 799880141 DQCLOHYIBGTLEW-VIFPVBQESA-N 286.297 3.708 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1cn(C)c(C)n1 800808283 PRZFZOVIZUJPLQ-UHFFFAOYSA-N 297.189 3.871 30 20 CHED CC(C)c1[nH]ccc1C(=O)OCc1cccc(C#N)c1F 803780670 BWHQQJJWQFHHQY-UHFFFAOYSA-N 286.306 3.506 30 20 CHED CCc1cccc(OC)c1COC(=O)CCCCCC#N 805927464 MMZKKGDWTXTWLD-UHFFFAOYSA-N 289.375 3.775 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@H]1C1CC1 806004200 NUCCVSSVJBABPN-HNNXBMFYSA-N 264.413 3.707 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1SC(C)C)C(C)(C)C 807882073 VUGLCQMWZZBECR-OAHLLOKOSA-N 289.444 3.965 30 20 CHED COCCCON=C(CCC(C)(C)C)c1cscn1 807987577 FOTOJDZJNAHSFO-UHFFFAOYSA-N 284.425 3.727 30 20 CHED C#Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1 809603076 JKUIPVVTLXIZOL-IBGZPJMESA-N 261.368 3.909 30 20 CHED C#C[C@H](N[C@H]1CCC[C@H](OC)C1)c1ccc(Cl)cc1F 809698721 FWQGEBYHSSYXSS-XEZPLFJOSA-N 295.785 3.701 30 20 CHED C#CCN(Cc1ccccc1)Cc1cccc2[nH]ccc12 809717505 JFYNEENDINDVRL-UHFFFAOYSA-N 274.367 3.803 30 20 CHED CC[C@@H]1CC[C@H](C)N1Cc1ccc(O[C@H](C)C#N)cc1 809768320 HWGSDUHSOPBGBA-SQWLQELKSA-N 272.392 3.740 30 20 CHED C#Cc1ccccc1Cc1nc(-c2ccc(F)cc2C)no1 810288885 FAPGHOXZGXAQLM-UHFFFAOYSA-N 292.313 3.756 30 20 CHED Cc1nc2scc(C3CC3)n2c1C=NOC/C=C\Cl 811670666 YKHDPSDOCZYMKC-CMROBHCUSA-N 295.795 3.685 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](c1cccs1)C1CC1 811870950 NSGOKCSHTOAIAZ-SFHVURJKSA-N 295.407 3.539 30 20 CHED C=CCCCCCCNC(=O)N1CCC(F)(F)[C@@H](C)C1 811917772 JYVZIPDNWZZVLT-ZDUSSCGKSA-N 288.382 3.810 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(C2CCCC2)cc1 812242476 RGVORFWBQGCXQW-FLIBITNWSA-N 280.371 3.974 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1occc1C 812243424 MAWFISMBXQEKEC-HWKANZROSA-N 260.264 3.632 30 20 CHED CCc1ccc(C#CC(=O)N2CC[C@@H]2c2ccccc2)cc1 814502242 ZDWOGUIUKRMSRK-LJQANCHMSA-N 289.378 3.574 30 20 CHED C[C@@H]1SCCC1=NNc1nc2ccccc2s1 814684619 BDMOWTOGACOVRH-QMMMGPOBSA-N 263.391 3.590 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccccc1C#N 814693233 CSUMTZBYEOVXFE-UHFFFAOYSA-N 253.280 3.533 30 20 CHED Clc1cccnc1NN=C1COc2cccc(Cl)c21 814810778 VRHHBMBBANBGBE-UHFFFAOYSA-N 294.141 3.597 30 20 CHED C[C@H](C#N)CNN=C1CCCC[C@@H]1C1CCCCC1 814881887 ZTHXVZYIOVLZNA-UKRRQHHQSA-N 261.413 3.862 30 20 CHED COc1ccc(CNC(C)(C)c2ccccc2C)cc1C#N 815148734 IBZBSQBGSLIWJA-UHFFFAOYSA-N 294.398 3.900 30 20 CHED C[C@@H](NN=C1CCc2ccccc2CC1)c1ccncc1 819817601 BWYNKKQJSXZYKQ-CQSZACIVSA-N 279.387 3.667 30 20 CHED C=C(C)C(C)(C)C(=O)OCC(=O)c1cc(C)c(F)cc1F 821447531 HXWZZOUAPWKIER-UHFFFAOYSA-N 296.313 3.601 30 20 CHED CC/C(C)=C\C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 826813076 RNUBKJKEWHZCIN-QXMHVHEDSA-N 295.304 3.529 30 20 CHED CC(C)(C)C(=O)CCCC(=O)OCC1(C#N)CCCCC1 835281764 FQEJKFAVBDSTJN-UHFFFAOYSA-N 293.407 3.789 30 20 CHED C=CCC[C@@H](C(=O)O[C@H](C)CC(C)(C)O)c1ccccc1 835417884 JRKFGUJHNIHXEK-GDBMZVCRSA-N 290.403 3.829 30 20 CHED C[C@@H]1C[C@H]1[C@@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 837440120 VXDRNOCEVAYPEM-JGFGOQIWSA-N 287.790 3.567 30 20 CHED CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C#CC2CC2)o1 837444819 CAXMRVOVMXZHOA-BBRMVZONSA-N 285.387 3.555 30 20 CHED Cc1ccc(C(=O)CCC(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1 839045049 XDFFKTXWUWQAFD-GOEBONIOSA-N 299.370 3.584 30 20 CHED N#C[C@@]1(C(=O)Oc2cc(Cl)ccc2F)CC12CCCC2 839288829 HETVJYJBWMXNTJ-OAHLLOKOSA-N 293.725 3.859 30 20 CHED Cc1ccc(C)c(NN=Cc2c[nH]nc2-c2cccnc2)c1 839401781 YJXLCZHXQBHJLX-UHFFFAOYSA-N 291.358 3.535 30 20 CHED N#CC1(CCOC(=O)C23CCC(CC2)C3)CCCCC1 840441054 UEBADRLXGCRLSB-UHFFFAOYSA-N 275.392 3.974 30 20 CHED CCOc1ccc(C[C@@H](C)C(=O)OCCCCC#N)cc1 840654168 XBEXKJGDMIFZTO-CQSZACIVSA-N 289.375 3.501 30 20 CHED CCN(CC)c1ccc(/C=N/CC(C)(C)CC#N)c(O)c1 840711244 PUZSWRXTQOFPTP-XDHOZWIPSA-N 287.407 3.597 30 20 CHED CCOCCC=NNc1cccc(Cl)c1Cl 841644087 GLMZJOVEFMQLRJ-UHFFFAOYSA-N 261.152 3.818 30 20 CHED CC(C)n1cc(C=NNc2cccc(Cl)c2Cl)nn1 841646595 ZNQVLUZLORAQRF-UHFFFAOYSA-N 298.177 3.612 30 20 CHED C[C@@H](O)CN(C)N=C1CCC[C@H](c2ccc(Cl)cc2)C1 841648501 LTHZTYXWABZOPT-OCCSQVGLSA-N 294.826 3.666 30 20 CHED C[C@H]1CC(=NNc2cccc(Cl)c2Cl)CO1 842535648 HYRVBCIEVIUPCG-ZETCQYMHSA-N 259.136 3.570 30 20 CHED Cc1cccc(-c2ccc3c(c2)OCCC[C@@H]3O)c1C#N 844231062 NCNVAYPCLZKTBJ-KRWDZBQOSA-N 279.339 3.740 30 20 CHED Cc1ccc(/C=C2/CCc3nn(C)cc3C2=O)c(Cl)c1 844551693 GLTVMUAVXCMSRV-WQLSENKSSA-N 286.762 3.594 30 20 CHED N#Cc1csc(CNCCC[C@H]2CC2(Cl)Cl)c1 846105348 RMSGLLGGZGQBBV-JTQLQIEISA-N 289.231 3.683 30 20 CHED C=C[C@H](C)ONC(=O)C[C@H](CC)c1ccc(C)cc1 846545702 PKPQNYJBVPVELU-KBPBESRZSA-N 261.365 3.501 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CCC(=O)[C@H](C)C1 847744769 WZRWWESWYBUWSY-LFYQSXPISA-N 292.419 3.916 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CCO[C@H](C)C1 847744823 ZAPSFLNAEFFQSK-RBGFHDKUSA-N 280.408 3.726 30 20 CHED C=CCC1(C(=O)N2CCn3c(Cl)ccc3[C@H]2C)CCC1 848088876 SBYJIFPRQMOLRN-GFCCVEGCSA-N 292.810 3.791 30 20 CHED CCc1cccc(CC)c1NC(=N)NCC(C)(C)CC#N 849040953 ZCBZMFFIZUGJRM-UHFFFAOYSA-N 286.423 3.688 30 20 CHED C=CCC[C@@H](C)OC(=O)CC[C@H]1CC1(Cl)Cl 849876070 NVFIMGBGCVTUNR-ZJUUUORDSA-N 265.180 3.858 30 20 CHED C=C[C@](C)(CC)COC(=O)[C@H](OC)c1cccc(OC)c1 850976710 GPSQDNNZUUQALJ-NVXWUHKLSA-N 292.375 3.528 30 20 CHED C=CC(C)(C)CCOC(=O)c1cccc(NC(C)=O)c1C 851300489 URHZVUKXDNABTJ-UHFFFAOYSA-N 289.375 3.713 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](O)c1cccc2ccccc12 855484297 XIMIWXYBEJGISL-KRWDZBQOSA-N 297.398 3.592 30 20 CHED Cc1ccccc1OCCCC(=O)Oc1ccc(C#N)cc1 874098553 WJSCAQQKDBQVEK-UHFFFAOYSA-N 295.338 3.631 30 20 CHED CCCCCCCNC(=O)N1CCC[C@H]1c1ccc[nH]1 875765149 HOPOOIZTWXEGQT-HNNXBMFYSA-N 277.412 3.832 30 20 CHED COc1ccc(NC[C@@H](C)CCC#N)c2cccnc12 877160688 TUCJDEWGNNMDBB-LBPRGKRZSA-N 269.348 3.595 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(F)c(F)c1C 880310036 WCJYSFNGPDWHPN-UHFFFAOYSA-N 253.292 3.814 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N(CC#N)c1ccccn1 892473594 XOKHUBXZDSPOMK-HNNXBMFYSA-N 285.391 3.711 30 20 CHED CCC#CCOC(=O)CCCc1ncc(-c2ccccc2)o1 893838655 OQAZIDBIHDUAHM-UHFFFAOYSA-N 297.354 3.621 30 20 CHED N#CC1CCC(CNC[C@@H]2CCc3ccccc32)CC1 894245494 BQORFFHGFBIGLC-DQPZFDDXSA-N 268.404 3.636 30 20 CHED C=C1CCC(c2nc([C@H]3CCCS3)no2)CC1 896115982 JAJLUWKRRUIPTC-LLVKDONJSA-N 250.367 3.852 30 20 CHED C=CCCC[C@@H](NCc1ccc(C(C)(C)C)cc1)C(=O)O 900068177 ZQSTWSAGAGXVBX-MRXNPFEDSA-N 289.419 3.883 30 20 CHED CS[C@H]1CCCC(=NNc2cccc(C(=O)O)c2C)C1 901261179 CTZCZUNWKROMLG-LBPRGKRZSA-N 292.404 3.767 30 20 CHED CCc1ncc(CNc2ccc(OC(C)(C)C)c(C#N)c2)o1 901419637 CWKAFZYFJIWFHM-UHFFFAOYSA-N 299.374 3.898 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(F)cc1C(F)(F)F 903105917 ISWZTWINCPXQNW-SECBINFHSA-N 286.272 3.799 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(F)cc1C(F)(F)F 903105918 ISWZTWINCPXQNW-VIFPVBQESA-N 286.272 3.799 30 20 CHED N#CC1(N(C(=O)c2ccsc2C(F)F)C2CC2)CCC1 904818718 OBCPIYULFXXZEM-UHFFFAOYSA-N 296.342 3.737 30 20 CHED N#CCCCCOC(=O)c1cc(Cl)ccc1Cl 912956690 RJSIQPKPXVJGGE-UHFFFAOYSA-N 272.131 3.844 30 20 CHED FC(F)(F)Sc1ccc(C=NNc2cnccn2)cc1 912962631 WHAJBBFGGNCECO-UHFFFAOYSA-N 298.293 3.535 30 20 CHED CC(=NNC(=S)Nc1ccc(C)cc1C)c1ccco1 915913406 WMVULFXZAWFGSQ-UHFFFAOYSA-N 287.388 3.607 30 20 CHED CC(=NNc1ncnc2sc(C)c(C)c12)c1ccco1 916309085 DETVADNFJJVTCF-UHFFFAOYSA-N 286.360 3.737 30 20 CHED CCCCc1oc2ccccc2c1C=Nn1c(C)nnc1C 917211932 ODSXDSIWGOAHDD-UHFFFAOYSA-N 296.374 3.866 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C/N=C\c2ccccc2O)o1 917556790 MYZNRJHXTDUMJE-POTPBETGSA-N 255.317 3.728 30 20 CHED CCCCCCCC(=O)OCc1nnsc1Cl 919222303 VVOZBRBGSLXOSW-UHFFFAOYSA-N 276.789 3.595 30 20 CHED C[C@@H](NN=Cc1ccc(N2CCCCC2)o1)c1ccccc1 920383185 TXMJJHWOWLCGNB-OAHLLOKOSA-N 297.402 3.955 30 20 CHED CCOc1ccc(C/N=C\c2cccc(OCC)c2O)cc1 920386892 IEECRJSEGAOYKU-UYRXBGFRSA-N 299.370 3.809 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)/C=C\CCC 920742408 OTXXYLABWAUGQI-WDZFZDKYSA-N 261.340 3.697 30 20 CHED COC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 926312308 KQDWRVYHHQDHJU-IUODEOHRSA-N 294.826 3.945 30 20 CHED CN(CCCCC1(C#N)CCC1)CCOC(C)(C)C 929856256 UTLPEPJQBACYRX-UHFFFAOYSA-N 266.429 3.597 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccccc1COC(C)(C)C 932538187 CAGISJTVBUUGHC-GFCCVEGCSA-N 292.379 3.629 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cc2cnccc2[nH]1 932594446 GWFHCIJEVHZCQF-UHFFFAOYSA-N 297.402 3.771 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc2ncccc2c1 1116269493 CZHMACRWYBWNLX-UHFFFAOYSA-N 286.334 3.615 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(C(=O)OC)c2)o1 1116270855 PJIUNRPJLONLBA-CLFYSBASSA-N 284.311 3.525 30 20 CHED Cc1ncsc1CSCCCC1(C#N)CCOCC1 1117687590 OXEDTFXFJDNSFB-UHFFFAOYSA-N 296.461 3.785 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 1122732108 RONAXGCIMKCTPS-MIGQKNRLSA-N 275.392 3.828 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 1136428171 NZBBDOQYNLVSIQ-QAQDUYKDSA-N 290.451 3.991 30 20 CHED CC1(C)CN(CCc2ccc(C#N)cc2)Cc2ccccc21 1192939832 UDKVPYXBXYAYQN-UHFFFAOYSA-N 290.410 3.894 30 20 CHED Cc1cccc2c1N(C(=O)Nc1sccc1C#N)CC2 1207292616 FKEODFZPSOKYBV-UHFFFAOYSA-N 283.356 3.523 30 20 CHED N#Cc1ccc(CCN2CCC(c3ccccc3)CC2)cc1 1208925901 XPQKWUQVOBKNOV-UHFFFAOYSA-N 290.410 3.980 30 20 CHED Cc1csc(NC(=O)NCC2CCC(C)CC2)c1C#N 1217533338 WSMYROZIMRJDLJ-UHFFFAOYSA-N 291.420 3.876 30 20 CHED CCCCCCCC(=O)N(C)CCC(F)(F)F 1251224526 CXEPWBSJRLKWJJ-UHFFFAOYSA-N 253.308 3.758 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NOCc1cccnc1 1253374897 SVOHNOKBVSFFJJ-GFCCVEGCSA-N 282.343 3.524 30 20 CHED Cc1ccc2oc(C(=O)O[C@@H]3CC[C@H](C#N)C3)cc2c1 1263379869 YQKIHAWZFSZMOR-WCQYABFASA-N 269.300 3.590 30 20 CHED Cc1ccc(F)cc1NC(=O)c1cc(F)c(C#N)c(F)c1 1290075171 OLORCKLOUXMQQU-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1cc(N2CC(C)(C)CC(C)(C)C2)c(C#N)cn1 1307091628 YMASDVHZXMRYTO-UHFFFAOYSA-N 257.381 3.524 30 20 CHED Cc1nc(C#N)cc(NCC[C@@H](C)CC(C)(C)C)n1 1307093535 DFZQXMDCSBDDQV-LLVKDONJSA-N 260.385 3.531 30 20 CHED C[C@@H](CC#N)N(C)Cn1cc(-c2ccccc2)oc1=S 1321554358 WISPAZXFYLNZQG-LBPRGKRZSA-N 287.388 3.669 30 20 CHED CC(C)(CCC#N)CN1CC(c2ccc(F)cc2)C1 1325501416 GELUXULFDGOKSA-UHFFFAOYSA-N 260.356 3.555 30 20 CHED Cn1cc(/C=C/c2cc(C#N)ccn2)c(C2CCCCC2)n1 1326258381 IGPMTAVGEQYGBS-BQYQJAHWSA-N 292.386 3.905 30 20 CHED Cc1cc(OCc2cc(Cl)ccc2OCC#N)ccn1 1327516171 AAAKMWJJKPRELI-UHFFFAOYSA-N 288.734 3.525 30 20 CHED C#CCCCCc1nnc(-c2cccc3ncccc23)o1 1328361339 CAFYIDDXUBRKTB-UHFFFAOYSA-N 277.327 3.631 30 20 CHED N#CCOc1ccc(NC(=O)/C=C/C2CCCCC2)cc1 1328626864 OZPODLDNEPEPCY-IZZDOVSWSA-N 284.359 3.664 30 20 CHED Cc1cc(C=NN(c2ccccc2)c2ccccc2)ncn1 1330267312 NYEZRILESLNIHX-UHFFFAOYSA-N 288.354 3.957 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)nn1)c1ccc(N)cc1 1331820960 KWJTXDXOSHHKOS-UHFFFAOYSA-N 297.406 3.583 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(F)c(OC)c2)c1 1335666061 HFNUCSYLXWIGNN-VQHVLOKHSA-N 286.302 3.739 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)c1ncccc1C)c1ccccc1 1336256869 YRLJTSWPHXZRKO-DOTOQJQBSA-N 294.398 3.927 30 20 CHED C=C(C)Cn1c([C@@H](C)SC)nnc1N1CCC[C@@H]1CC 1342878845 APHMAZDHMLBBMB-OLZOCXBDSA-N 294.468 3.657 30 20 CHED N#Cc1ccc2c(c1)N(Cc1sccc1Cl)CC2 1459890766 VGWIPSQFVKQGGG-UHFFFAOYSA-N 274.776 3.836 30 20 CHED CC[C@H](Nc1cc(C#N)cnn1)c1cccc(Cl)c1 1472713371 VEWGKCBACKLQRN-ZDUSSCGKSA-N 272.739 3.565 30 20 CHED Cc1cc(SCC(=O)Cc2ccccc2)ccc1C#N 1473049254 RXHMZFVFBMLOGJ-UHFFFAOYSA-N 281.380 3.771 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC)[C@@H](C#N)CC 1518551543 UZONBDFDNPAXNO-HYVNUMGLSA-N 284.403 3.503 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H](C)CC1CCCCC1 1524843470 RRTIFMNPEPNYDG-CQSZACIVSA-N 284.403 3.955 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CCC[C@@H]2C(C)(C)C)n1 1559209678 JYLSGJLLSDXSKA-STQMWFEESA-N 272.396 3.537 30 20 CHED CSc1cc(C)c(C(=O)Nc2cccc(CC#N)c2)o1 1587608945 FDKIWVXIDXRHCY-UHFFFAOYSA-N 286.356 3.628 30 20 CHED Cc1cc(C#N)cc(N[C@@H](C)CC(C)(C)CC(=O)O)c1 1600074342 ZDCZVJFVPAIHPL-LBPRGKRZSA-N 274.364 3.558 30 20 CHED COc1cccc(CNc2nc(C#N)c(Cl)s2)c1C 1612633950 PKZJMLIXJFAQDT-UHFFFAOYSA-N 293.779 3.597 30 20 CHED Cc1ccc(C)c(N(C)CCc2ccc(C#N)cc2)c1 1615223250 POTFBUMCINJAEE-UHFFFAOYSA-N 264.372 3.854 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1-n1cccc1 1628297701 LXZRWZOOXDKOAK-NSHDSACASA-N 287.750 3.619 30 20 CHED N#Cc1cccc(NC[C@@H]2CCC[C@@H]2c2ccccc2)n1 1642725702 VLVGEQAPBRCHSN-DOTOQJQBSA-N 277.371 3.949 30 20 CHED Cc1ccc([C@H]2CCCCN2c2ccnc(C#N)c2)cc1 1650798529 KNNYPEVMQNTBOA-GOSISDBHSA-N 277.371 3.993 30 20 CHED N#Cc1ccc(CCN2CCCC23CCCCC3)cc1 1652927374 DIHPPRNKVKGVNC-UHFFFAOYSA-N 268.404 3.899 30 20 CHED C[C@@]1(NCCc2ccc(C#N)cc2)CCCc2ccccc21 1652996966 BDXHWJWCLLQHNC-HXUWFJFHSA-N 290.410 3.942 30 20 CHED Cc1ccccc1COC(=O)N1CCc2ccc(C#N)cc21 1661255905 MHIBUUALOZIDJQ-UHFFFAOYSA-N 292.338 3.566 30 20 CHED CC1(C)CCC[C@H](NC(=O)Nc2cc(C#N)ccc2F)C1 1678269882 MQVIUKXPEIWWCW-LBPRGKRZSA-N 289.354 3.788 30 20 CHED Cc1ccc(C=NNc2c(C)cccc2F)cc1C(=O)O 1776055577 WHVBVNDNPAJTDM-UHFFFAOYSA-N 286.306 3.587 30 20 CHED O=C(O)c1cccc(C=NNc2c(F)cccc2Cl)c1 1776055772 PUUAXIXQDJRPOF-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)CC1 1776076655 ZZVOSPAIRSNFSJ-SNVBAGLBSA-N 278.327 3.892 30 20 CHED C=CCCCCN(C)[C@@H](C)c1cc(C)c(C(=O)O)o1 1776173611 ASCFVEHIZVVWRZ-LBPRGKRZSA-N 265.353 3.635 30 20 CHED C=CCN(CC(=O)O)Cc1ccccc1Oc1ccccc1 1776176854 DPXWBRNESVRYQQ-UHFFFAOYSA-N 297.354 3.552 30 20 CHED C=CCN(CCc1ccccc1)[C@H](C(=O)O)c1ccccc1 1776179669 OZMKPEUHDRKMKC-SFHVURJKSA-N 295.382 3.543 30 20 CHED C=CCCCCN1CC[C@@H](CC(=O)O)c2ccccc21 1776207823 SBVSJCZPNXFKIV-AWEZNQCLSA-N 273.376 3.811 30 20 CHED Cc1cc2c(s1)C/C(=C\c1ccc(CC(=O)O)cc1)C2=O 1777428112 RFODVBOPPQQENI-NTUHNPAUSA-N 298.363 3.506 30 20 CHED N#Cc1ccc(NC(=O)CSC2CCCCC2)cc1 7603149 RQSZOWGEMXSKPP-UHFFFAOYSA-N 274.389 3.563 30 20 CHED O=C(/C=C/c1cccs1)c1ccc2c(c1)CCO2 14202510 MBRCVRJTGDGOSJ-SNAWJCMRSA-N 256.326 3.579 30 20 CHED CC(C)c1ccccc1NC(=O)CNc1cccc(C#N)c1 15294326 LWWRXZXTZSOAMD-UHFFFAOYSA-N 293.370 3.732 30 20 CHED C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C#N)cc1 15594433 XJWPIWKXZBMTAG-LBPRGKRZSA-N 282.368 3.678 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1cccc(C#N)c1 16421028 OFIMLWUFZQWCNC-GFCCVEGCSA-N 268.385 3.739 30 20 CHED CCc1cccc(NCc2ccc(C#N)cc2F)c1 20054743 VONNHEOBCCVXBO-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(Cl)s1 32038540 UMZIJKYICWYKRG-VIFPVBQESA-N 290.775 3.764 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(OC)cc2OC)c1 33410978 XJCOZZGFVGJAQR-NTMALXAHSA-N 298.338 3.609 30 20 CHED COc1ccccc1Sc1ccc(C#N)cc1[N+](=O)[O-] 49389806 HWQAEHBFDPIRPK-UHFFFAOYSA-N 286.312 3.626 30 20 CHED N#Cc1ccc(NCC2(N3CCCCC3)CCCCC2)nc1 58482209 BGBLQMHVJPAJFR-UHFFFAOYSA-N 298.434 3.554 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c(C)s1 61110665 RJNVVYHJXHXEMD-GFCCVEGCSA-N 295.367 3.731 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](CC)c1ccc(Cl)cc1 69336702 AMWOGCDFXGBNKS-IUODEOHRSA-N 295.810 3.889 30 20 CHED N#Cc1cnc(NCCc2ccc(F)cc2F)c(Cl)c1 69798200 GMQNRFKAOUNZJW-UHFFFAOYSA-N 293.704 3.539 30 20 CHED CC(C)Cc1noc(CSCc2ccc(C#N)cc2)n1 79363357 BYMFOYRYZJIVNP-UHFFFAOYSA-N 287.388 3.573 30 20 CHED N#Cc1ccc(NCc2cc(Cl)ccc2F)cc1 83442300 RQXGNZBNSJXTHC-UHFFFAOYSA-N 260.699 3.963 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)CCCc1ccc(Cl)cc1 85432136 XVQADVWPNVDCSZ-CQSZACIVSA-N 292.810 3.717 30 20 CHED CC(C)(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191803 WVMDCDRZLBWDDX-UHFFFAOYSA-N 270.254 3.562 30 20 CHED C[C@@H]1CCCCC[C@@H]1NCc1ccc(OCC#N)cc1 88506030 MDIRSHHHKWYUGL-PBHICJAKSA-N 272.392 3.647 30 20 CHED C=C[C@H](C)NC(=O)N1CC=C(c2ccccc2Cl)CC1 91705108 XUTZUEIYSQQSHB-LBPRGKRZSA-N 290.794 3.713 30 20 CHED CCCN(CC#N)Cc1ccc(OC)c2ccccc12 92398524 HHTSDWZYHKCZRY-UHFFFAOYSA-N 268.360 3.584 30 20 CHED C[C@H](CC(=O)N(C)[C@H](C)CC#N)Cc1ccc(Cl)cc1 92895567 YSVIIWBKCUFNCB-QWHCGFSZSA-N 292.810 3.669 30 20 CHED CN(Cc1ccc(C#N)cc1)C1CCC(C)(C)CC1 94859586 CFIJBVQMKODOPR-UHFFFAOYSA-N 256.393 3.959 30 20 CHED CCCCCCCCCCNC1CCN(C)CC1 103455408 CUXQGKMMZSZVMY-UHFFFAOYSA-N 254.462 3.811 30 20 CHED N#Cc1cc(F)ccc1CNC1(c2ccccc2)CCC1 104665232 XRELAKGARPSBRZ-UHFFFAOYSA-N 280.346 3.866 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(OC)ccc1Cl 105020433 USWRUXJWEJFFEK-UHFFFAOYSA-N 282.771 3.779 30 20 CHED CC(C)Oc1ccccc1C(=O)Nc1ccc(F)c(C#N)c1 105961459 ONPJQPHXVUJINB-UHFFFAOYSA-N 298.317 3.737 30 20 CHED C[C@H](c1ccc(Cl)cc1)[S@@](=O)CCCCC#N 108118597 KGNRTAVIORFWSU-PIGZYNQJSA-N 269.797 3.844 30 20 CHED CCSc1ccc([C@@H](C)NC[C@H](C#N)CCC#N)cc1 112543450 GYYPONFHVVVXLW-KGLIPLIRSA-N 287.432 3.893 30 20 CHED CO[C@@H](C)c1nc(COc2cc(C#N)ccc2C)cs1 122926808 MDSQSMKLULISMF-NSHDSACASA-N 288.372 3.610 30 20 CHED CC(C)(CCC#N)CN1CCN(CC2CCCCC2)CC1 127000667 HAKCVJKAGRQZOD-UHFFFAOYSA-N 291.483 3.514 30 20 CHED N#Cc1ccc(CNc2cc(F)cc(Cl)c2)cc1 128443264 PAFVRFHTINCUCD-UHFFFAOYSA-N 260.699 3.963 30 20 CHED COc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1 130463694 LKAOCWVSSZPMRL-SFHVURJKSA-N 280.371 3.830 30 20 CHED C/C(=C/C(=O)O[C@@H](C)C(C)(C)C#N)c1ccc(F)cc1 131325427 YYXIYNRHKBNRCQ-MMRAYRKESA-N 275.323 3.710 30 20 CHED C=C[C@@H](C)N[C@H](CC)c1cc(Br)ccc1O 139192281 VGGUKQKLGRRYIB-BXKDBHETSA-N 284.197 3.770 30 20 CHED C=CCCC(=O)Nc1cccc2oc(C(F)(F)F)nc12 153546089 QKYBCOWQKKHYKI-UHFFFAOYSA-N 284.237 3.751 30 20 CHED CC(=O)c1ccccc1NC(=O)c1ccc(C#N)c(Cl)c1 153604051 QGAUDWMMHFPPTF-UHFFFAOYSA-N 298.729 3.667 30 20 CHED N#CCCCC[S@](=O)[C@H]1CCc2c(Cl)cccc21 154042351 GFJMSQBHMUFPPI-KBXCAEBGSA-N 281.808 3.770 30 20 CHED C#CCN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 155875817 CDLFJBUMXQIBJM-UHFFFAOYSA-N 298.213 3.608 30 20 CHED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1c(C)noc1C 155888735 MKANGALMFPLXIX-BZNIZROVSA-N 283.375 3.965 30 20 CHED CCc1noc(C)c1CSCc1cc(C#N)ccc1F 159976854 IWLPOYLULZMYFU-UHFFFAOYSA-N 290.363 3.990 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H](CC)c1ccc(F)cc1F 161365820 KNHFRGICUAQATK-YGRLFVJLSA-N 299.386 3.840 30 20 CHED Cc1csc(COc2cc(Cl)ccc2C#N)n1 161655825 DTQJVXJPTVAAHI-UHFFFAOYSA-N 264.737 3.556 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2cccc(CC#N)c2)c1C 172169743 MHQMAVJLBDDYHB-OAHLLOKOSA-N 292.382 3.861 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 172707020 IWSOBFNQDDOXLO-WDEREUQCSA-N 288.416 3.873 30 20 CHED C=C(C)CN(CC)C(=O)c1c[nH]cc1-c1ccc(F)cc1 173071193 OISLITNBINPESG-UHFFFAOYSA-N 286.350 3.859 30 20 CHED Cc1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1C 174169101 WDWQIFAAKXWPKC-UHFFFAOYSA-N 297.333 3.636 30 20 CHED Cc1ccc(F)c(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 175758215 NZFUWDBCASQOCP-GFCCVEGCSA-N 283.302 3.924 30 20 CHED C=CCC[C@H](NC[C@H]1CCCCO1)c1ccccc1 178757932 UDGGQJMGXJXOSZ-SJORKVTESA-N 259.393 3.853 30 20 CHED CC(C)Oc1cccc([C@@H](C)NCCCCC#N)c1 179673913 NUSCDFXVIQBROL-CQSZACIVSA-N 260.381 3.818 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 179758167 LUAFGQUGWYLOEZ-HNNXBMFYSA-N 287.403 3.845 30 20 CHED C=C(C)CN(C)C(=O)CCOc1ccccc1C(C)C 180425571 TUIMVTCSJUEBOE-UHFFFAOYSA-N 275.392 3.613 30 20 CHED C=C(C)CN(C)CCC1CCN(C(=O)OC(C)(C)C)CC1 181050396 BFPVLMLXBVJQNT-UHFFFAOYSA-N 296.455 3.532 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1cccn1C 181112441 JVXOTGNTOHUVOQ-GOEBONIOSA-N 289.423 3.616 30 20 CHED Cc1ccccc1OCCN[C@H](C)c1cccc(C#N)c1 181607209 LHRYIIGLGNXSOX-OAHLLOKOSA-N 280.371 3.596 30 20 CHED COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1C 181609866 FZFNDXUBKCIIHL-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(c2ccccc2C)CC1 182603161 JBWHTFQSNIULII-OAHLLOKOSA-N 271.404 3.888 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1cccc(OC)c1 182653162 HCRFJFWGRLAXHF-KBPBESRZSA-N 275.392 3.660 30 20 CHED CCSCc1ccc(C#N)cc1Br 183267572 MSLZNHVNLILWSU-UHFFFAOYSA-N 256.168 3.574 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@@H](C)Sc1ccccc1Cl 183935508 KIXSQLTVNNRULC-MNOVXSKESA-N 296.823 3.629 30 20 CHED CC[C@@H](CC#N)NC(=O)C(CC)(CC)c1ccccc1 183968886 LVYXVEHENGFVEN-HNNXBMFYSA-N 272.392 3.553 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)[C@@H](C)Cc1ccsc1 186327705 IEGRFKQWKFBUNG-ZDUSSCGKSA-N 298.411 3.713 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N 186835835 OCDRCXWPLMBUQR-BBRMVZONSA-N 290.794 3.857 30 20 CHED CCO[C@@H]1C[C@H](NCCCC(C)(C)C#N)C1(CC)CC 187041814 VNVQUOLZXVOTGS-LSDHHAIUSA-N 280.456 3.890 30 20 CHED CC(C)N(Cc1ccc(Cl)cc1C#N)CC(F)F 187186030 OTODQYGPWVQCPS-UHFFFAOYSA-N 272.726 3.687 30 20 CHED N#Cc1cc(Cl)ccc1CNc1cccc([N+](=O)[O-])c1 187703438 UTCFOYIXOPHETA-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C[C@H](CCC#N)Sc1nnc(Cc2cccc(F)c2)o1 188310230 CRJKGCGSHRYADA-SNVBAGLBSA-N 291.351 3.584 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)CCc2ccc(C#N)cc2)CC1 188807805 NGULCRWHLAEUMJ-WMLDXEAASA-N 284.403 3.576 30 20 CHED C=CCC(CC=C)C(=O)N(CCC#N)C(C)(C)CC 189912730 UVLKBFUKRJNPSP-UHFFFAOYSA-N 262.397 3.686 30 20 CHED CC1=CCC[C@H](C)[C@H]1CN(CCC#N)Cc1cccnc1 191038899 DYDJHOWAHTUCMA-WMZOPIPTSA-N 283.419 3.790 30 20 CHED C=CCC1(C(=O)N(CC)Cc2ccccc2)CCC1 191666404 YSLUHFGLULBFBP-UHFFFAOYSA-N 257.377 3.782 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H](c2ccccc2)[C@@H]2CCCO2)C1 192772321 JANFNAXRCOYAKZ-XOYOTBSWSA-N 284.403 3.579 30 20 CHED CC(=O)c1cc(C(=O)OCC2(C#N)CCCCC2)ccc1C 192891182 AKULTOULXZJEEW-UHFFFAOYSA-N 299.370 3.829 30 20 CHED Cc1ccc(C#N)cc1NCc1cn2ccccc2c1C#N 193440197 MRDCSHMHEDORES-UHFFFAOYSA-N 286.338 3.603 30 20 CHED CCCN(CC#N)Cc1cnc(-c2ccccc2)s1 194968797 YWZLMCSQRQIIHA-UHFFFAOYSA-N 271.389 3.546 30 20 CHED C=CCc1ccc(OCc2cnc(C)s2)c(OC)c1 195167352 RARQCQQAUBFLQZ-UHFFFAOYSA-N 275.373 3.768 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(N)c(Cl)c1 232515976 MSQKLJGUVMDBHZ-UHFFFAOYSA-N 294.782 3.799 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1ccc(O)cc1 254916520 DYUICIXTKPMGTA-WTKPLQERSA-N 290.265 3.890 30 20 CHED COc1ccc(/C=C\C(=O)c2ccco2)c(Cl)c1OC 255318944 KWTGCWQZKWCKMO-ALCCZGGFSA-N 292.718 3.846 30 20 CHED COc1cccc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)c1 255392264 MOZDNWSZMOSWJE-KTKRTIGZSA-N 298.386 3.622 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(O)c(F)c2)c1 255871722 HSEZNZIYJHPLRN-ALCCZGGFSA-N 256.276 3.736 30 20 CHED c1ccc(N/C(=N/Cc2ccccn2)N2CCCCC2)cc1 262232988 GZJPZQZGZVIILQ-UHFFFAOYSA-N 294.402 3.536 30 20 CHED N#CCOc1ccc(CN2CCC[C@H]2c2ccccc2)cc1 264163355 TUAARYJAGKBIRL-IBGZPJMESA-N 292.382 3.926 30 20 CHED Cc1c(Cl)cccc1NC(=O)[C@H](C)ON=C1CCC1 265487550 VAKQEEXVDXSSLK-JTQLQIEISA-N 280.755 3.532 30 20 CHED Cc1ccc2c(CCNCC(C)(C)CCC#N)c[nH]c2c1 266166664 AXBDCFUIWSOSRH-UHFFFAOYSA-N 283.419 3.938 30 20 CHED C=CCCCN1CCC[C@@H]1C[C@@H](O)c1cccs1 267442010 IMNAVUVAVRZLBA-ZIAGYGMSSA-N 265.422 3.602 30 20 CHED COC1CCC(N(C)CC#Cc2cccc(Cl)c2)CC1 269567613 WVCUIAJMXSTIBB-UHFFFAOYSA-N 291.822 3.581 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1ccsc1 271385716 PLVSCKVWQVMYQS-AWEZNQCLSA-N 261.390 3.605 30 20 CHED CCN(CC#N)C(=O)CCCc1ccc2ccccc2c1 271747830 UEKRGVFZENPDQX-UHFFFAOYSA-N 280.371 3.535 30 20 CHED CC[C@H](NCCC(C)(C)C#N)c1ccc(OC)cc1 272034226 PUCDHQQGYPCFED-HNNXBMFYSA-N 260.381 3.676 30 20 CHED C=CCC[C@@H](C(=O)NCC(=C)Cl)c1ccccc1 275059027 VUIDWOCMSRBCLZ-CQSZACIVSA-N 263.768 3.605 30 20 CHED C=C(C)CNC(=O)Nc1cc(C(F)F)ccc1Cl 275282797 WMHFIDDERRSMDI-UHFFFAOYSA-N 274.698 3.975 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(C(C)C)cc1 276191182 XDHRYADXGOYHII-UHFFFAOYSA-N 260.381 3.528 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](c2ccccc2C)C1 276883779 GPVFIVASDHCWPJ-MAUKXSAKSA-N 271.404 3.913 30 20 CHED N#C[C@@H]1CC[C@H](N2CC[C@@H](CSc3ccccc3)C2)C1 278704233 TWXHJVIBQALDEJ-OAGGEKHMSA-N 286.444 3.793 30 20 CHED C#CCCCC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 279905404 CTWZXMIRJWFICN-CTYIDZIISA-N 275.779 3.506 30 20 CHED C=CC[C@@H](C(=O)N1CCC=C(C)C1)c1ccccc1 280585955 ASXSCOADLVWVIS-MRXNPFEDSA-N 255.361 3.525 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(C#N)oc1C 280747192 XOVNYONDRUWMQV-HNNXBMFYSA-N 296.370 3.553 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(NC(C)=O)c1 281706675 TUGVYUXNCXEZGO-SWLSCSKDSA-N 260.381 3.650 30 20 CHED C=C(C)CCc1noc(C2(c3ccccc3)CCOCC2)n1 285237580 VXTUFGRNWQIALI-UHFFFAOYSA-N 298.386 3.675 30 20 CHED CCC[C@H]1SCCN1C(=O)c1cc(C#N)ccc1Cl 285350448 AVNVPTLBKPHWLS-CYBMUJFWSA-N 294.807 3.527 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(c2cc(C#N)ccn2)C1 286334397 JHEFRPHAUVUEGX-CJNGLKHVSA-N 263.344 3.541 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@H]2CCOC)cc1 287447891 LHICKPDJEQNJBU-FUHWJXTLSA-N 289.419 3.546 30 20 CHED CCc1ccc(CN(C(=O)[C@](C)(C#N)CC)C2CC2)cc1 288253730 PASQHGAPYJKJAO-SFHVURJKSA-N 284.403 3.680 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@H](C)c2cccs2)no1 289166075 UVJXPFTXNFDMQZ-IAQYHMDHSA-N 292.404 3.763 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)c1c[nH]c(C#N)c1 293906718 ABDICTJOJHACAY-CYBMUJFWSA-N 275.396 3.707 30 20 CHED C=CCCc1noc([C@H]2C[C@@]23CCc2ccccc23)n1 297199540 FWLSTMLZMPNELN-RHSMWYFYSA-N 266.344 3.560 30 20 CHED C=CCCc1noc([C@@H](C)OC2CCCCCC2)n1 297372653 QPDVBXGTQMFCJP-GFCCVEGCSA-N 264.369 3.989 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(C)cs1 297735518 OAUYRBJCQOTKQY-UHFFFAOYSA-N 264.394 3.649 30 20 CHED C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(F)c1 297774385 PZWBUEYAINOOLI-PXAZEXFGSA-N 287.334 3.904 30 20 CHED C=CCN(Cc1ccc(Cl)s1)[C@H](C)c1nnc(C)o1 297992415 XDNMWLHDECSJJV-SECBINFHSA-N 297.811 3.842 30 20 CHED CC(C)[C@@H](C)N(C(=O)/C=C/c1ccccc1C#N)C1CC1 298269457 AAAWUNIWZGRJEN-BMGYJQCNSA-N 282.387 3.607 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(OCCC)cc1C 299309192 RYVRSJUVRQKWJZ-AWEZNQCLSA-N 291.391 3.704 30 20 CHED CN(C)CCc1ccc(Nc2cccc(F)c2C#N)cc1 301211958 XKFRVLMVVNYPKL-UHFFFAOYSA-N 283.350 3.545 30 20 CHED CCS[C@@H]1CCCCN(c2ccc(C#N)cc2F)C1 301226698 GYTGJQGKOZDXKJ-CYBMUJFWSA-N 278.396 3.809 30 20 CHED Cc1nc(C)c(CCNc2c(Cl)cccc2C#N)s1 301401736 QSADOJDAHPPUDL-UHFFFAOYSA-N 291.807 3.940 30 20 CHED N#Cc1ccc(NCCc2ccc(Cl)nc2)cc1Cl 301630875 CKWCBVSAVZNFLU-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C[C@@H]1CN(c2snc(Cl)c2C#N)[C@H]2CCCC[C@@H]12 302134599 CWZLZFQBDPCSIM-YWVKMMECSA-N 281.812 3.683 30 20 CHED CC(C)Oc1ccc(CNc2c(C#N)cccc2C#N)cc1 302860541 USNSYQFXQGRXAQ-UHFFFAOYSA-N 291.354 3.829 30 20 CHED CC#CCCN[C@H](C)CCc1ccc(Cl)s1 309335991 APQPEKKCQJZWKM-LLVKDONJSA-N 255.814 3.726 30 20 CHED C[C@@H](CNc1snc(Cl)c1C#N)C(C)(C)C 309595944 WFAGMASUWXDZRV-ZETCQYMHSA-N 257.790 3.762 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc2c(c1)OCCO2 312557098 OMQWGWIWMPXDJT-ZDUSSCGKSA-N 275.392 3.711 30 20 CHED C#CCOc1ccccc1CNCc1ccsc1Cl 312776974 YSOKCDIMQIDCOO-UHFFFAOYSA-N 291.803 3.703 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc2ccccc2c1 315744630 FOPIMZAPKGROSI-UHFFFAOYSA-N 266.344 3.509 30 20 CHED COc1cc(C#N)cc(OCc2cccc3cccnc23)c1 319359753 VSTHPRNRJIIFCC-UHFFFAOYSA-N 290.322 3.694 30 20 CHED N#Cc1ccc(CN2CCCCCCCC2)c(F)c1 321981606 UFYKRPGEADZMCT-UHFFFAOYSA-N 260.356 3.854 30 20 CHED OC1=N[C@@H](C(O)=Nc2ccc(Cl)cc2F)CCC1 328785975 IVOMLKFOIDWSAO-SNVBAGLBSA-N 270.691 3.576 30 20 CHED OC(=Nc1nc(C2CC2)cs1)[C@@H]1CCc2cccnc21 329393413 SOKURMVZHJIZHH-LLVKDONJSA-N 285.372 3.734 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329679114 QRUBTKHWCQULDB-BFHYXJOUSA-N 273.380 3.980 30 20 CHED CCc1cnccc1[C@@H](C)/N=C(/O)c1sc(C)nc1C 330638574 BAXCAWXXZQSIPH-SECBINFHSA-N 289.404 3.783 30 20 CHED CC[C@@H]1CCC[C@H](N/C(O)=N/CC[C@@H]2CCO[C@H](C)C2)C1 330839519 LVMGWEYEYSVSCL-FPCVCCKLSA-N 296.455 3.664 30 20 CHED CC(C)(C)Oc1ccc(-c2noc(C(C)(C)C#N)n2)cc1 330919544 YSPMIFAUMMXXTI-UHFFFAOYSA-N 285.347 3.715 30 20 CHED N#CC1(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CCCCC1 332776606 GZOQMOXEVFBFQK-OWCLPIDISA-N 288.435 3.936 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)c1 333654288 LCACWIZQXMBTJS-AWEZNQCLSA-N 297.402 3.911 30 20 CHED C[C@H](NC1CCC(F)(F)CC1)c1cccc(C#N)c1 334369551 NLHGUNWTGLEWJM-NSHDSACASA-N 264.319 3.787 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1ccc(F)cc1F)CC2 334686475 SQTOCONSMBDDKO-KRWDZBQOSA-N 284.309 3.614 30 20 CHED N#CCC1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 334983890 HBVLBANDJXLMMY-UHFFFAOYSA-N 293.292 3.707 30 20 CHED C[C@@H](C#N)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 335844696 LRIMGFNKNIWIJD-IUCAKERBSA-N 297.185 3.599 30 20 CHED Cc1cc(F)cc2c1CN(Cc1ccc(F)c(C#N)c1)CC2 337473017 WSIASFBJEKKMGE-UHFFFAOYSA-N 298.336 3.703 30 20 CHED C[C@@]1(CNCc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 339450233 QFNNJTPPTMZVNA-MOPGFXCFSA-N 276.383 3.842 30 20 CHED CC(C)(CCC#N)CNc1ccc([N+](=O)[O-])c2cccnc12 340932152 KBLTWOYGWZDERU-UHFFFAOYSA-N 298.346 3.885 30 20 CHED N#Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1Cl 341107284 YZWCUDBACZQMGK-UHFFFAOYSA-N 297.745 3.736 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OC)c(OC(F)F)c1 341452320 FLNAQADUFFJHMI-GFCCVEGCSA-N 285.334 3.741 30 20 CHED CC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C 343627348 JEPNXVDOZXXJOL-AWEZNQCLSA-N 298.390 3.523 30 20 CHED N#Cc1ccc(SCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 344715127 OOSPGHMGOBCSLZ-KCQAQPDRSA-N 271.385 3.656 30 20 CHED Cc1oc(C#N)cc1-c1nc(Cc2cccc(Cl)c2)no1 345642391 QHAYTBJOMKDPIH-UHFFFAOYSA-N 299.717 3.754 30 20 CHED Cc1cc2sc(C(=O)N[C@H](C)CC#N)c(C)c2cc1C 345703835 QTVASDAZQJCNCX-LLVKDONJSA-N 286.400 3.859 30 20 CHED CC1(C)Cc2cc(NC(=O)c3ccc(C#N)cc3)ccc2O1 346015252 QIUQLBGYULJLJR-UHFFFAOYSA-N 292.338 3.524 30 20 CHED C=C(C)CN(CCCCCF)Cc1cnn(C(C)C)c1 352959637 ZPMQSHRLBZGCCP-UHFFFAOYSA-N 281.419 3.982 30 20 CHED CC1(C)C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C(C)(C)O1 352969150 QFVZRSOWPUXXQT-SJORKVTESA-N 298.430 3.871 30 20 CHED C=CCCC1(C(=O)NCc2ccccc2Cl)CC1 353346183 GTMXOOKTOGPZJM-UHFFFAOYSA-N 263.768 3.703 30 20 CHED C=CCOc1cccc(CN2CCC[C@@H]2CSC)c1 354088460 PTFWDBGKBZVKIU-OAHLLOKOSA-N 277.433 3.579 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)[C@@](C)(C#N)CC)c1C1CC1 354437019 UYRDSOUCDRHBDJ-BDJLRTHQSA-N 288.395 3.610 30 20 CHED C=CCC[C@H](NC(=O)CC1CCC(=O)CC1)c1ccccc1 355986690 HCPQQSGQCKCXOF-SFHVURJKSA-N 299.414 3.960 30 20 CHED N#Cc1ccccc1SCc1ncoc1C1CC1 356181116 NQPBOFVJQBLJIH-UHFFFAOYSA-N 256.330 3.716 30 20 CHED C=CCCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 357411707 ITPNWVHMPYIXBG-OAHLLOKOSA-N 261.340 3.676 30 20 CHED CC1(C)CC[C@@H](C(=O)Nc2ccc(CC#N)cc2)C1 358894329 BDNKZKOGKJBSTN-CYBMUJFWSA-N 256.349 3.517 30 20 CHED Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CCCC#N 360454970 LIVATZWXHXNGLN-ZDUSSCGKSA-N 298.308 3.799 30 20 CHED CN(Cc1ccccc1)[C@H]1CCN(CCCC(C)(C)C#N)C1 364226958 AMZPGWLWGZUPBW-SFHVURJKSA-N 299.462 3.523 30 20 CHED N#Cc1ccc(NC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1Cl 366685527 HKOHABPHKOWHQI-STQMWFEESA-N 287.750 3.536 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC[C@](F)(c2ccccc2F)C1 367224705 OFWJZEXXEMBURJ-CXAGYDPISA-N 293.357 3.825 30 20 CHED CC(C)C1(CNC2CCN(c3ccc(C#N)cc3)CC2)CC1 370731330 VVBSDHADBOSSLZ-UHFFFAOYSA-N 297.446 3.553 30 20 CHED N#Cc1ccnc(N[C@@H](c2ccccc2)c2ccccn2)c1 376104052 QCHUWGKFIFZIOQ-SFHVURJKSA-N 286.338 3.550 30 20 CHED CC[C@H](C)[C@H](CNc1ccc(C#N)c(Cl)c1)OC 381287503 MULLRGOKNPEHMT-HZMBPMFUSA-N 266.772 3.685 30 20 CHED CC[C@H](Nc1ccc(OCC#N)cc1)[C@H]1CC1(C)C 397661398 FKNIAMHKIGVAFG-CABCVRRESA-N 258.365 3.826 30 20 CHED CC[C@@H](CNc1cc(C)nc(C#N)c1)CC(F)(F)F 402676942 QABGYMNQPVNOEA-SNVBAGLBSA-N 271.286 3.652 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1nc(-c2ccccc2)oc1C 410138743 URDCVEHVXLIRPQ-HNNXBMFYSA-N 298.386 3.663 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 410628591 XRHGCXJZILYEJF-SQWLQELKSA-N 264.413 3.647 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1CC#N 410826191 HPICVYUUYZDFJL-OCCSQVGLSA-N 256.349 3.517 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1CC(C)(C)Oc2ccccc21 412380142 QKFGQSURDHSEJL-AWEZNQCLSA-N 287.403 3.660 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@]12CCC[C@H]1C2 421443602 GKONOPYNRVHEKO-YOEHRIQHSA-N 273.351 3.531 30 20 CHED C=CCn1c(S[C@H]2CCO[C@H](C)C2)nc2ccccc21 421819883 JMBLWEBOVLGQEY-OLZOCXBDSA-N 288.416 3.882 30 20 CHED C=CCN(C(=O)N[C@@H](CC(F)F)c1ccccc1)C1CC1 422263592 PPNONMWULUCMAV-AWEZNQCLSA-N 294.345 3.743 30 20 CHED C=CCn1cc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)nn1 424141142 OMQNMXROTDKXEU-AWEZNQCLSA-N 298.434 3.612 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cccc(Br)c1 424565901 HKZHSUDBPZVVQN-UHFFFAOYSA-N 296.208 3.668 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)C/C(C)=C\c1ccccc1 427224064 QOZDUXKQDRQBLK-KGAUPUERSA-N 287.403 3.530 30 20 CHED C=CCN(Cc1ccccc1F)Cc1oc(CC)nc1C 428469366 JNZMMHVGJUOSAU-UHFFFAOYSA-N 288.366 3.873 30 20 CHED CN(CCCC(C)(C)C#N)Cc1nc2ccccc2o1 431604156 LUBQZLGIHJTQJY-UHFFFAOYSA-N 271.364 3.590 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](CC)c1ccccc1 431658004 FVYSNJHQTWFCTG-AWEZNQCLSA-N 259.393 3.899 30 20 CHED C=C1CCN(C(=O)c2ccccc2C(C)(C)C)CC1 433773947 LULSNXDDQIAIGJ-UHFFFAOYSA-N 257.377 3.776 30 20 CHED CCO[C@H]1C[C@@H](N(C)CCCSCC#N)C1(CC)CC 434976527 CLRXVWYHGNCSHJ-CABCVRRESA-N 298.496 3.549 30 20 CHED C=CCCC1(C(=O)NCCc2ccc(SC)cc2)CC1 437520397 XQIQQOCDLMXOLV-UHFFFAOYSA-N 289.444 3.814 30 20 CHED CC1(C)CCCN(CCCc2ccccc2)[C@@H]1C#N 444719878 NVJDPVVOTMOMLH-MRXNPFEDSA-N 256.393 3.633 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@H](Cc2ccccc2)C1 448924282 XVNSEPVJSMXOPJ-MRXNPFEDSA-N 271.404 3.680 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)NCC1CCC(c2ccccc2)CC1 448935586 AOGLKJZQLXSRNX-MRWWZRLISA-N 296.414 3.626 30 20 CHED Cc1cc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)cs1 449039132 BCWHSTBVYSGDND-QGZVFWFLSA-N 298.411 3.502 30 20 CHED N#CC[C@@H]1CC[C@H](NCc2cccc(-c3ccncc3)c2)C1 449444919 FESWYLAYZJJKQY-KXBFYZLASA-N 291.398 3.921 30 20 CHED C=CCC1(CN[C@H]2CCO[C@H](C(C)C)C2)CCCC1 449604550 KPXBUYMVYCXQKO-HOTGVXAUSA-N 265.441 3.916 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](C)CC1 455518344 UHPCGFPUNPLYFN-CZIWCDLHSA-N 298.430 3.822 30 20 CHED CC(C)[C@H]1CN(C(=O)c2cccc(CC#N)c2)[C@H]1C(C)C 456301097 UEGRYSRDNCSPIX-SJORKVTESA-N 284.403 3.505 30 20 CHED CC#CCN(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 457459918 ZCOKOCCEBQPSMS-JTQLQIEISA-N 299.201 3.719 30 20 CHED C=C(CNC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1)c1ccccc1 458757663 KVCKVGRBMKSJOT-MSOLQXFVSA-N 296.414 3.530 30 20 CHED CC(C)Oc1ccccc1CNCC(C)(C)CC#N 459692555 MCAYGYWVJRCDAW-UHFFFAOYSA-N 260.381 3.503 30 20 CHED CC1(C)[C@@H](CN[C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccccc1 459707473 JHHLELGIOGYVKT-SIXLDLHFSA-N 268.404 3.708 30 20 CHED CC#CCOc1c(C(C)=O)ccc(Cl)c1Cl 463268791 WRFWNASQXSXVJM-UHFFFAOYSA-N 257.116 3.598 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 464756333 MATFYENKKDSQDA-OLZOCXBDSA-N 272.392 3.500 30 20 CHED C=CCCN(C)C(=O)NCc1ccc2ccccc2c1 466962742 YARPAGYKZNHAAL-UHFFFAOYSA-N 268.360 3.557 30 20 CHED C=CCC[C@H](NC[C@]1(C)CCO[C@@H]1C1CC1)C1CC1 468044958 NYSKJFRDKHBDKI-BBWFWOEESA-N 263.425 3.526 30 20 CHED C=CCOCCCN(CC)[C@H](C)c1ccc(F)cc1 470721684 DHJWQGFQCHZIIV-CQSZACIVSA-N 265.372 3.801 30 20 CHED C=CCCC1(C(=O)NCCc2ccc(Cl)cc2)CC1 474086874 HJJISRHAWRZDMS-UHFFFAOYSA-N 277.795 3.745 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 474570908 UYQFNOFXTZEVOH-WHOFXGATSA-N 292.810 3.850 30 20 CHED N#CC1(CN[C@H]2CCCC[C@H]2Cc2ccccc2)CC1 481204777 UVPYZBWLCHVSKP-IRXDYDNUSA-N 268.404 3.681 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@]12CCCc1ccccc12 488880778 RKCZNRVQDIEFAR-KPFFTGBYSA-N 295.426 3.848 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H](C(C)C)CC1 488953513 VOJAPXUIMYINHM-OAHLLOKOSA-N 274.408 3.572 30 20 CHED C=C[C@@H]1CCCCN1Cc1csc(-c2ccco2)n1 489488516 AGQNVYRQUUTDFC-CYBMUJFWSA-N 274.389 3.944 30 20 CHED N#CC1CCC(CNCc2ccc3c(c2)CCCC3)CC1 491400261 KOVXRFROQQUAEA-UHFFFAOYSA-N 282.431 3.985 30 20 CHED C[C@@H](CCCC(F)(F)F)NC(=O)Nc1cccc(C#N)c1 493286200 ZXCAPTNHSQGEGI-JTQLQIEISA-N 299.296 3.801 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](CC)c1cccs1 494410044 DCYSAKYCTLBVDD-STQMWFEESA-N 278.421 3.949 30 20 CHED CCC(CC)N(CC)C(=O)[C@@H](C#N)CCc1ccccc1 494842800 TXQOIWDVMUOLIE-MRXNPFEDSA-N 286.419 3.796 30 20 CHED CC(C)(C)OC(=O)NC1CCC(=NOCCC2CC2)CC1 497207297 BBFLSLHAHPUDBJ-UHFFFAOYSA-N 296.411 3.626 30 20 CHED C=CCCc1ccccc1NC(=O)NCC1(C(F)F)CC1 505046586 WDIKINLVGBWWRO-UHFFFAOYSA-N 294.345 3.972 30 20 CHED C=CCN(CC=C)Cc1ccc(OC)c(Br)c1 505891863 RDBZDJDFNSVPCQ-UHFFFAOYSA-N 296.208 3.632 30 20 CHED C=CCSCCNC(=O)C[C@@H](C)c1ccc(CC)cc1 508900684 SUQHOYNGLKXPLP-CQSZACIVSA-N 291.460 3.778 30 20 CHED C=CCn1c(CC(C)C)nnc1N1CCC[C@H](C(C)C)C1 508923747 WFNWONBRMFGHEZ-HNNXBMFYSA-N 290.455 3.535 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 510322606 VDNOYEJCXRYCDY-BONVTDFDSA-N 293.436 3.558 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)CCc1ccc(C#N)cc1 512720484 LZPWSFQLKKBJNL-OAHLLOKOSA-N 298.430 3.918 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCCc1ccc(C(C)C)cc1 513021950 MNLNKDFVZJLPLQ-SFHVURJKSA-N 286.419 3.799 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 529392906 FUUUXGDHQRXVQW-KGLIPLIRSA-N 278.440 3.990 30 20 CHED Cc1c(C(=O)NCC2CC=CC2)sc2ccc(C#N)cc12 529710455 VMTPULVLOMGXFL-UHFFFAOYSA-N 296.395 3.777 30 20 CHED C=CCCCCCN(C)[C@@H](C)C(=O)N(C)c1ccccc1 533288774 ZWTXJUAQYJPXRN-INIZCTEOSA-N 288.435 3.716 30 20 CHED CN(CC#Cc1ccc(Cl)cc1)c1cccc(O)c1 533379441 KOJPFMRVHIZYOT-UHFFFAOYSA-N 271.747 3.534 30 20 CHED C=C[C@@H](CC(=O)NCCc1ccc(C)o1)c1ccccc1 534631916 BHRZAGNEIAUXTG-HNNXBMFYSA-N 283.371 3.607 30 20 CHED CCN(CC#N)Cc1cnc(C2CCCCC2)s1 536647304 PEKMEQMKVYZBTK-UHFFFAOYSA-N 263.410 3.536 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)N[C@H](C)c1ccc(C#N)cc1 536802255 OBWANQLUJRHQHV-WOSRLPQWSA-N 285.391 3.592 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(OC)c1 537187716 VAZZPLMBANUXBH-ZIAGYGMSSA-N 290.407 3.800 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 537308588 SVUKXPIHDQDMTC-ZIAGYGMSSA-N 286.419 3.967 30 20 CHED CC(C)C[C@H]1C[C@H](Nc2cccc(F)c2C#N)CCO1 539594793 ALXONHNLSSBHGL-OLZOCXBDSA-N 276.355 3.703 30 20 CHED C=CCC[C@H](CCC)NCCc1c[nH]c2ncccc12 540147994 FKBHNHNFYFGSFY-HNNXBMFYSA-N 271.408 3.830 30 20 CHED CC1(C)CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 543451602 FXOZZKYQRQIRTL-LBPRGKRZSA-N 276.767 3.520 30 20 CHED C[C@@](C#N)(NC(=O)[C@@H]1CC12CCCC2)C1CCCCC1 550748066 OAKVYYNFXXNZHR-HOCLYGCPSA-N 274.408 3.545 30 20 CHED CCc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1C 551637116 FHTUWWUGGWJYKG-UHFFFAOYSA-N 282.318 3.821 30 20 CHED N#Cc1c(NC[C@H]2CC=CCC2)nc2cc(Cl)ccn12 553315468 HZQXBAHOWXIXHV-NSHDSACASA-N 286.766 3.628 30 20 CHED C=CCC(C)(C)c1noc(C2(OCC)CCCC2)n1 556362995 RIAVRDHMNXIADX-UHFFFAOYSA-N 264.369 3.729 30 20 CHED C[C@](C#N)(NC(=O)[C@@H]1CCCC(F)(F)C1)C1CCCCC1 563370427 CSBOKXYTZGPKOZ-IUODEOHRSA-N 298.377 3.791 30 20 CHED N#Cc1ccc(-c2nc(CCc3ccco3)no2)cc1Cl 566822808 TYVRMAMQBDKVAI-UHFFFAOYSA-N 299.717 3.640 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@@H]1C 567093024 CXWPDOXJMNKRNP-ZDUSSCGKSA-N 274.412 3.501 30 20 CHED N#CC1(CNC(=O)c2cc3cccc(Cl)c3s2)CC1 567738562 QOMAJRBABJDRBL-UHFFFAOYSA-N 290.775 3.588 30 20 CHED C=C(C)CCNC(=O)c1c(C)ccc(Br)c1C 570776101 BPUOPJJNEVLCOD-UHFFFAOYSA-N 296.208 3.762 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1 573789796 WVIPVVQDAOTXMR-HEHGZKQESA-N 282.387 3.862 30 20 CHED CCN(Cc1ccc2ccccc2c1)c1cc(C#N)ncn1 575976695 HAAWRLLVUVYKGD-UHFFFAOYSA-N 288.354 3.528 30 20 CHED N#Cc1c(F)cccc1SCCCOCC(F)(F)F 576886938 CEZPEQTZIJHFEA-UHFFFAOYSA-N 293.285 3.758 30 20 CHED C=CCCc1noc([C@@H](C)Oc2ccc3c(c2)CCC3)n1 578114702 CNMJGDYLQAGCJL-GFCCVEGCSA-N 284.359 3.817 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)c1cc(C#N)[nH]c1C 580400951 JNRCSHZGRWSLHI-UHFFFAOYSA-N 295.386 3.556 30 20 CHED COc1ccccc1C=NOCc1ccc(F)cc1C 588426214 YUPUEELHKQEBJT-UHFFFAOYSA-N 273.307 3.693 30 20 CHED Cc1ccc2c(c1)N(C(=O)CCCCCC#N)C[C@H](C)O2 588937666 KLHDZCOMISONIU-AWEZNQCLSA-N 286.375 3.583 30 20 CHED Cc1nc(N2C3CCCC2CCC3)c(Cl)cc1C#N 589687646 JNQYYBVAPLFLCV-UHFFFAOYSA-N 275.783 3.827 30 20 CHED Cc1cc(C)nc([S@@](=O)CCC2(C#N)CCCCC2)c1 591247703 AVICVIOESMFYDE-FQEVSTJZSA-N 290.432 3.670 30 20 CHED C[C@@H]1CC2(CCOCC2)CN1c1c(Cl)cccc1C#N 591994472 XCCGQQRRVZGMQL-GFCCVEGCSA-N 290.794 3.607 30 20 CHED C[C@H](C#N)c1ccc(-c2cccc(OCCN(C)C)c2)cc1 592983640 GOSBHIXZXDUVAR-OAHLLOKOSA-N 294.398 3.921 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 593407432 GJXVPQFYEBTSOD-LRDDRELGSA-N 288.366 3.723 30 20 CHED Cc1cccc(-n2cc(CNCC(C)(C)CC#N)c(C)n2)c1 593641270 GSEOANXUVVAIAT-UHFFFAOYSA-N 296.418 3.519 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 593648217 VFFGQSKPDDAIOU-BJDJZHNGSA-N 289.404 3.535 30 20 CHED COC(=O)c1cc(C)c(NCC2(CC#N)CC2)c(Cl)c1 594704524 KPDZWAUKCJAYMR-UHFFFAOYSA-N 292.766 3.541 30 20 CHED Cc1ccc(CNCCc2ccc(C#N)cc2)cc1C 594954321 FMCARWKCLVCIGD-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C=CCCSCCNCc1cc(F)ccc1C 594960604 VQANSXYJEABUEA-UHFFFAOYSA-N 253.386 3.533 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@H](CC#N)C2)c1 595501550 MIUIHMSJUGDCFB-JKSUJKDBSA-N 299.418 3.700 30 20 CHED Cc1ccc(C#N)nc1NCc1ccc([C@@H]2C[C@H]2C)o1 596089134 XMHDSZVELQZHBT-BXUZGUMPSA-N 267.332 3.590 30 20 CHED Cc1c(C#N)c(N(C)CC2=CCSC2)nc2ccccc12 596554527 SMZHQBOCTGCHAQ-UHFFFAOYSA-N 295.411 3.524 30 20 CHED CSc1nc2ccccc2c(C)c1NC(=O)CCCC#N 598877436 CEAMBGHIMDVKFT-UHFFFAOYSA-N 299.399 3.898 30 20 CHED CS[C@H](C)CC(=O)N(c1ccc(C#N)cc1)C1CCC1 598882847 OBBZNLURQSUYAA-GFCCVEGCSA-N 288.416 3.585 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](C#N)CC(C)C 599271890 JMUCOMOOTNTMGE-OAHLLOKOSA-N 296.370 3.923 30 20 CHED CCN(CCc1cccc(C(F)(F)F)c1)C[C@@H](C)C#N 600111786 FMQKSPCRPXOEKT-LBPRGKRZSA-N 284.325 3.729 30 20 CHED N#Cc1cnc(N2CC[C@@H]3CCC[C@@H]32)c2sccc12 601148969 CMXQJRJCPZBIRA-GWCFXTLKSA-N 269.373 3.547 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C[C@H]1CCC[C@@H]1C 602386119 HVVBKSHMEPEFTR-GXTWGEPZSA-N 288.366 3.817 30 20 CHED Cc1nc2c(s1)[C@@H](N(C)C[C@@H](C)CCC#N)CCC2 602476830 WURUKXPGLMOWBY-FZMZJTMJSA-N 277.437 3.701 30 20 CHED N#CCC1(CN2CCC[C@H](c3nc4ccccc4o3)C2)CC1 602783715 KXJJXUCMZLRLMC-AWEZNQCLSA-N 295.386 3.701 30 20 CHED C=CCOc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 603633480 OZHCDMYRNWYEOU-OAHLLOKOSA-N 292.382 3.974 30 20 CHED C=CCCCN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 605150646 JZIWRCJRHXUEOR-AWEZNQCLSA-N 294.389 3.610 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(CCCc2ccccc2)cc1 609920953 UOTUSUMXUWAZOJ-HNNXBMFYSA-N 292.382 3.960 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCc1cccc(C#N)c1 610023856 XLGVMWSOCLTMAM-PBHICJAKSA-N 299.418 3.668 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1 610220212 JDOWEUVTPRFEDK-SNVBAGLBSA-N 286.281 3.579 30 20 CHED C[C@@H](CC#N)NC(=O)C(C)(C)c1ccc2ccccc2c1 610239192 HRWYHHMHRJUPRD-ZDUSSCGKSA-N 280.371 3.536 30 20 CHED Cc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1F 610317238 FGTVBEXQJNVJOZ-LBPRGKRZSA-N 297.333 3.889 30 20 CHED COCC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 611389375 VAKSTKFVRFDFBW-BEFAXECRSA-N 294.398 3.987 30 20 CHED COc1ccccc1C(C)(C)CNc1nccc(C)c1C#N 612074394 ROWXWXWRZVWOFX-UHFFFAOYSA-N 295.386 3.660 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C 614131638 DJHSCEPABXWFCU-BHYGNILZSA-N 269.388 3.666 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NCc1ccnc(C#N)c1 617226369 FRQBELCYWSYBRH-DOTOQJQBSA-N 271.408 3.648 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1sccc1[N+](=O)[O-] 618693580 ZUTJMZJFYZRCEW-LBPRGKRZSA-N 285.328 3.627 30 20 CHED CC1(C)CCC[C@@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 618732729 CUHFQQKCKSSRIX-NVXWUHKLSA-N 296.414 3.878 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)c(Cl)c2)cn1 619735435 JHJLWSFTVGGQKF-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 628908612 LYKOMKKIIYGFID-OWSLCNJRSA-N 299.414 3.578 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1csc(C)c1 640644525 SCTFFMUAEYPKMF-GFCCVEGCSA-N 250.367 3.629 30 20 CHED C=CCOc1ccccc1C(=O)N(CCC)CC(C)C 642080741 JCUSOJQEYOBMKV-UHFFFAOYSA-N 275.392 3.760 30 20 CHED C=C(C)CN(CC)C(=O)C1CC(c2ccc(F)cc2)C1 644788179 MCNQLYHDIBPJGM-UHFFFAOYSA-N 275.367 3.744 30 20 CHED C=CCC1(c2nc(COCC(F)(F)F)no2)CCCC1 651185779 JUOPWHOSTJMYTB-UHFFFAOYSA-N 290.285 3.536 30 20 CHED C=CCCNC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 661569612 CCARATDAUWFERY-INIZCTEOSA-N 288.366 3.637 30 20 CHED C=C(CNC(=O)CCO[C@@H](C)CC(C)C)c1ccccc1 672481051 ZGOGVJKTNXQZBH-INIZCTEOSA-N 289.419 3.657 30 20 CHED O=C(/C=C\c1ccccc1)c1ccc(O)c(Cl)c1 725274069 VBJPFIJLQXICEF-VURMDHGXSA-N 258.704 3.942 30 20 CHED COc1cccc(NN=Cc2c(F)cccc2Cl)c1 725853231 HDZZVDFCOMHYSP-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CC[C@H](Cc1ccccc1)/N=C\c1cccc(O)c1O 727781868 ZBVGMHVLCCRUGY-PWDRBQJJSA-N 269.344 3.538 30 20 CHED Cn1c(NN=Cc2ccc(Cl)cc2)nc2ccccc21 728776418 QTNQQRIYMWZBPZ-UHFFFAOYSA-N 284.750 3.673 30 20 CHED COc1ccc2[nH]cc(C=NNc3ccc(C)cc3)c2c1 730144888 TYRIYNZEJOFZJC-UHFFFAOYSA-N 279.343 3.931 30 20 CHED COc1ccc(C)cc1/C=C1\COc2ccc(F)cc2C1=O 731565350 LWLZAHMSOWHWFX-MDWZMJQESA-N 298.313 3.801 30 20 CHED CCOc1ccc(/C=N/C[C@@H]2CCc3ccccc32)c(O)c1 731937647 LSFYSZIUKCBOCN-NPRIEWAGSA-N 295.382 3.940 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccncc1 734237594 RDMVRNWXOBBNDV-OAHLLOKOSA-N 286.762 3.782 30 20 CHED CCCCCCCCCC(=O)N(C)C[C@H]1CCCN(C)C1 734447131 JCYZNROMQFSNPN-KRWDZBQOSA-N 296.499 3.927 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1ccc(OCC#N)cc1 735311169 BGVSXFNXKYKHPI-KRWDZBQOSA-N 272.392 3.599 30 20 CHED C=CCCCOC(=O)c1ccc(-c2ccccc2)[nH]1 735535653 JUMRZPPOKNBYBR-UHFFFAOYSA-N 255.317 3.805 30 20 CHED N#Cc1cccc(NCc2ccc(N3CCCCC3)cc2)n1 736286852 MQIARVPHNIMDTA-UHFFFAOYSA-N 292.386 3.556 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](c1ccccc1C)C(C)C 736397926 LJZBAMWDGWFALE-CQSZACIVSA-N 280.799 3.744 30 20 CHED CCC(=NNc1ncnc2sc3c(c12)CCC3)C1CC1 741161016 CMYDSQHHPVXKLY-UHFFFAOYSA-N 286.404 3.768 30 20 CHED CCO[C@H]1CC(=NN[C@H](C)c2ccccc2)C12CCC2 741162210 BECZJKIGNGHWDP-CJNGLKHVSA-N 272.392 3.672 30 20 CHED CC/C(=C\C(=O)N[C@](C)(C#N)C(C)C)c1ccc(C)cc1 741681572 NLZJSYKTWJFTQH-HAZIXKIPSA-N 284.403 3.843 30 20 CHED CC(=NN=C1c2ccccc2-c2ccccc21)[C@@H]1CCOC1 741760395 WJVBWWVADOCTAY-CQSZACIVSA-N 290.366 3.917 30 20 CHED COc1cccc(/C=C2/CCc3ccc(OC)cc3C2=O)c1 741846572 DBVKVWUNZLUICQ-GDNBJRDFSA-N 294.350 3.916 30 20 CHED CC(C)(CCC#N)CNCCCOc1ccccc1F 742366607 KYAHDWDBUNUACW-UHFFFAOYSA-N 278.371 3.514 30 20 CHED CCC(=NNc1ccc(Cl)nc1)c1ccccc1 743449929 COQLNWLTTYQZRS-UHFFFAOYSA-N 259.740 3.961 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(OCC#N)cc2)c1 744742236 DUBLHHGCOINSAV-UHFFFAOYSA-N 279.343 3.652 30 20 CHED Cc1noc(C)c1C=NNc1ccc(Cl)c(F)c1 747636096 DDHVGPUURHOSDY-UHFFFAOYSA-N 267.691 3.530 30 20 CHED CN(C(=O)/C=C/C1CCCCC1)c1ccc(C#N)cc1 749151041 RBLPAVCGJDWQKX-FMIVXFBMSA-N 268.360 3.658 30 20 CHED Cc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1 749745934 HRRKAZHKAMTZIC-NVNXTCNLSA-N 254.260 3.750 30 20 CHED CC#CCOC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 750444435 IXSMRXNKULSSMT-CQSZACIVSA-N 264.752 3.646 30 20 CHED C=C(Cl)COC(=O)C[C@@H](C)c1ccc(F)cc1F 751861854 UTEHPXLPDSPZEA-MRVPVSSYSA-N 274.694 3.754 30 20 CHED Cc1cc(NN=CCCCCOc2ccccc2)nc(C)n1 753956744 VWJSHKQJKASRKX-UHFFFAOYSA-N 298.390 3.740 30 20 CHED CCCC1CCC(C=NN2C(=O)c3ccccc3C2=O)CC1 755468421 SMPOJQUBUPSSNI-UHFFFAOYSA-N 298.386 3.875 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1csc(C(=O)O)c1 755592042 DUUBVCXQLZBPKT-UPHRSURJSA-N 294.278 3.621 30 20 CHED C[C@@H]1CCCC[C@H]1N1CCC(=NO[C@@H]2CCCCO2)CC1 755816383 FLPLKWDQGNGHMF-DJIMGWMZSA-N 294.439 3.560 30 20 CHED CC(CCc1cccc(F)c1)=NO[C@@H]1CCCCO1 755823925 NVZDRMOOFVXTKD-OAHLLOKOSA-N 265.328 3.677 30 20 CHED O=C(/C=C/c1ccccc1F)c1ccc(F)cc1O 757476717 RIPNOUNTKVJPAP-VMPITWQZSA-N 260.239 3.567 30 20 CHED C#CCCNc1ccccc1CN(C)C1CCCCC1 760288264 YGKGRVOOXGNCHB-UHFFFAOYSA-N 270.420 3.886 30 20 CHED C#CCCNc1cccc(OCc2cccc(C#N)c2)c1 760290649 SDLNQUDITYANTR-UHFFFAOYSA-N 276.339 3.572 30 20 CHED Clc1cccc(N2CCCC2)c1C=NNC1CCCC1 763363525 ROHYVVYQRPVDAI-UHFFFAOYSA-N 291.826 3.806 30 20 CHED Cc1cc(OC(=O)[C@@H]2CCC[C@@H](C)C2)ccc1C#N 765092098 QGGLCJHTSANKBK-DGCLKSJQSA-N 257.333 3.598 30 20 CHED Cc1cccc2c1[C@@H](C)CC2=NO[C@@H]1CCCCO1 766715981 OXTVFDHWMHLFRA-SWLSCSKDSA-N 259.349 3.750 30 20 CHED Cc1oc2ccccc2c1C/N=C/c1cccc(O)c1O 767335809 ATASKSQGRQWGGS-GIJQJNRQSA-N 281.311 3.772 30 20 CHED Cc1cc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)ccc1O 769611356 YULDFUXGGKXYME-CLFYSBASSA-N 298.386 3.628 30 20 CHED N#Cc1ccc(NC(=O)C=C2CCCC2)c(Cl)c1 769729864 KDCCXFLBAWGIRT-UHFFFAOYSA-N 260.724 3.651 30 20 CHED CCCCCCCCCNC(=O)N[C@H]1CCO[C@@H](C)C1 769735309 KCUITMPCMFFAPD-GJZGRUSLSA-N 284.444 3.604 30 20 CHED CC(C)CNN=Cc1cc(Cl)ccc1OC(F)F 771558234 XTSBOIRBYJPWKS-UHFFFAOYSA-N 276.714 3.521 30 20 CHED C=CCC[C@@H](C)OC(=O)c1[nH]c(-c2ccccc2)nc1C 772780534 JPJNBWGILZZRER-GFCCVEGCSA-N 284.359 3.897 30 20 CHED C=C(Cl)CN[C@H](CCC)c1ccc(OC)cc1 773005824 UJCOFJCIXSPRRI-CQSZACIVSA-N 253.773 3.879 30 20 CHED CC(C)[C@@H]1CCC[C@H]1NCc1cc(C#N)ccc1F 773029544 HBMAGHVHWBCBKX-GOEBONIOSA-N 260.356 3.612 30 20 CHED C#CC[C@H](N[C@@H](CCCC)COC)c1ccccc1 773114309 IBZXMMABOFXWKE-IRXDYDNUSA-N 259.393 3.546 30 20 CHED C[C@H]1CC[C@@H](CC(=O)OCc2ccc(CC#N)cc2)C1 776113190 BXLYMFYFPPVOSW-XJKSGUPXSA-N 271.360 3.622 30 20 CHED Fc1c(Cl)cccc1C=NNc1cc(Cl)ccn1 777912767 DDGWAMJGMCOTKM-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C#CCCCCCC(=O)N[C@@H](c1cccs1)C1CC1 779761842 UFVXADHCENCDAJ-MRXNPFEDSA-N 275.417 3.899 30 20 CHED CC/C(C)=C(/C)C(=O)N(CCC#N)CC(CC)CC 780933117 ZLDRRKRFAOMMSL-YPKPFQOOSA-N 264.413 3.911 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 781164257 PCGSGACWKCBYDH-KBPBESRZSA-N 289.375 3.731 30 20 CHED C=CCc1ccc(OC(=O)C2(SC)CCC2)c(OC)c1 781936237 TWDDYUXNZQZSFW-UHFFFAOYSA-N 292.400 3.615 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1ncc(-c2ccccc2)o1 785078899 RVYJGWVRXDTIPD-LBPRGKRZSA-N 298.342 3.886 30 20 CHED CC(=NNc1ncccc1Cl)c1cnn(C(C)C)c1C 787152879 FGCAIZMOSANQSB-UHFFFAOYSA-N 291.786 3.657 30 20 CHED CCCCC[C@@H](NC(=O)NCCC#N)c1ccccc1 787359166 YRALBQAVKMGCCN-OAHLLOKOSA-N 273.380 3.521 30 20 CHED CC(=NOC[C@H]1CCOC1)c1ccc(C(C)C)cc1 788036329 IFKLROBWXIYEKF-AWEZNQCLSA-N 261.365 3.587 30 20 CHED FCCCCCON=Cc1ccccc1OC(F)F 789565553 IPAKNXOSKYHPTI-UHFFFAOYSA-N 275.270 3.778 30 20 CHED C#Cc1cccc(NC(=O)Cc2cccc(C(F)F)c2)c1 790504177 IHLYZGLQVNYOLB-UHFFFAOYSA-N 285.293 3.787 30 20 CHED CN1CCCC(C)(C)[C@H]1C/N=C/c1cc(Cl)ccc1O 790599384 XTUBIQSRBBATDH-BFERYNQYSA-N 294.826 3.585 30 20 CHED CC[C@@H](C)CON=C/C=C/c1ccccc1[N+](=O)[O-] 793159082 KTQCGKDSFMWPDG-ZTMXJJAKSA-N 262.309 3.657 30 20 CHED CC(=NNc1ncncc1F)c1oc2ccccc2c1C 793214045 AILITHJVHLNHCP-UHFFFAOYSA-N 284.294 3.506 30 20 CHED C=CCCCCC[C@@H](C)NC1CCN(CCC)CC1 793521176 VPRJUSKESFNUBD-MRXNPFEDSA-N 266.473 3.975 30 20 CHED C=CCCCCC[C@@H](C)NC[C@@H](O)c1cccc(F)c1 793530687 XGRHVZFKRAALLZ-RHSMWYFYSA-N 279.399 3.974 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCC[C@@H]2CCF)o1 794899229 IWCULFLGEMPRMR-SNVBAGLBSA-N 278.331 3.597 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(F)cc1C 796454211 AXGVMQBOOOBNAU-UHFFFAOYSA-N 250.313 3.780 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CCCc2nn(C)cc21 798756038 OPKCNEBYCPFSEO-CQSZACIVSA-N 292.423 3.744 30 20 CHED COc1ccccc1CON=Cc1ccc2ccccc2n1 799117639 OBWBGMOFPJFSIU-UHFFFAOYSA-N 292.338 3.794 30 20 CHED CC(=NNCCC(C)(C)C)c1coc(C(C)C)n1 799485453 SVIPEXXPPFHJGZ-UHFFFAOYSA-N 251.374 3.548 30 20 CHED COc1cccc(C=NN[C@H]2CCCCC2(C)C)c1F 799887091 LWTIKZUUGHPDPV-AWEZNQCLSA-N 278.371 3.727 30 20 CHED COc1cccc(/C=C2/Cc3c(C)cccc3C2=O)c1F 799893655 UUZJPSZNEIWCPL-LCYFTJDESA-N 282.314 3.965 30 20 CHED CCc1c(C(=O)/C=C/c2cn(C)cn2)oc2ccccc12 800792343 BJXQOVTYGIMKKT-CMDGGOBGSA-N 280.327 3.625 30 20 CHED C[C@@]12CCN(c3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl 804706013 PHDOMDMKYQEIQM-CHWSQXEVSA-N 281.186 3.578 30 20 CHED Cc1cc(C)c([C@@H](C)OC(=O)c2cnccc2C#N)c(C)c1 805716031 IXHQXKDNCFJENH-CQSZACIVSA-N 294.354 3.797 30 20 CHED C=CCCCCCCNC(=O)Nc1ccccc1OC 806087359 DVNUTGDJNFMJJA-UHFFFAOYSA-N 276.380 3.953 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(OC(C)C)cc1C 806220986 VXBBTVXXCRVWKM-AWEZNQCLSA-N 288.391 3.706 30 20 CHED Cc1nn(C)c2sc(C(=O)/C=C\c3ccc(O)cc3)cc12 806576700 GXZAFRKPLQYOMM-YVMONPNESA-N 298.367 3.545 30 20 CHED Cc1nn(C)c2sc(C(=O)/C=C\c3ccccc3)cc12 806579077 UOWRBZZERYXJFH-HJWRWDBZSA-N 282.368 3.839 30 20 CHED CCSCC(=NNc1ccc(C)cn1)c1ccccc1 807969608 UUXSKBDMDJOAIY-UHFFFAOYSA-N 285.416 3.959 30 20 CHED CC(=NN[C@@H]1CCSC1)c1cc2ccccc2s1 808000858 CIWHCTLRXPCYJB-GFCCVEGCSA-N 276.430 3.720 30 20 CHED C#C[C@@H](C)NCc1ccc(OCc2cccc(F)c2)cc1 809683851 ROTGKAQIUVYEFK-CQSZACIVSA-N 283.346 3.516 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1cc(F)c(F)cc1F)C2 811692391 ATOGQDXQWKSUHH-LFYBBSHMSA-N 299.251 3.798 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/C=C/c1ccccc1)C2 811695284 CARGFAYXFGZDLS-AQHRCUNFSA-N 271.319 3.937 30 20 CHED CCCCC[C@H](NC(=O)c1ccc(C#N)o1)C(C)(C)C 814114676 OTIMKGPUBBDDBJ-AWEZNQCLSA-N 276.380 3.876 30 20 CHED COc1ccc(C=NOCC2CC2)c2ccccc12 814243365 RWZXUNWNWWQHMX-UHFFFAOYSA-N 255.317 3.609 30 20 CHED CC(=NOCCC1CC1)[C@H](C)Cc1ccccc1[N+](=O)[O-] 814247242 XRTLTOJNVBNOBL-GFCCVEGCSA-N 290.363 3.966 30 20 CHED CC(=NNc1ccc(Cl)c(Cl)c1)c1csnn1 814796466 FDSDQYCBYRZKJV-UHFFFAOYSA-N 287.175 3.681 30 20 CHED C=CCC(F)(F)C(=O)OCc1csc(C(C)(C)C)n1 815313090 UOXAWCBDWHCRDU-UHFFFAOYSA-N 289.347 3.695 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cccnc1Cl 815637374 UUSMQICSUJKTLC-NSHDSACASA-N 252.789 3.988 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C(F)=C3CCCC3)[nH]c12 815954918 NVRQFXGBCQWTRF-GFCCVEGCSA-N 297.333 3.845 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N[C@@H]1CC[C@H](C#N)C1 819634083 XLZLYQKBXKSFPG-RBDCFEFUSA-N 288.778 3.552 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H](O)c1cccc2ccccc12 825018495 PHIBGRAROLVKST-RDTXWAMCSA-N 297.398 3.592 30 20 CHED C#Cc1cccc(CN[C@H](C)CCCC(F)(F)F)c1 825226599 KWVNHLNVVSRJIM-GFCCVEGCSA-N 269.310 3.879 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2)cc1F 832928874 XTRHVDQIVQEUEK-RUDMXATFSA-N 284.286 3.728 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C(=O)O)c(Cl)c1 833361738 JPHYQSREBWYGAJ-UHFFFAOYSA-N 293.750 3.560 30 20 CHED Cc1ccc(-c2nc([C@@H]3CCOC(C)(C)C3)no2)cc1C#N 834889711 ZAPVDSGXIASJBG-CYBMUJFWSA-N 297.358 3.589 30 20 CHED C=CCCCC(=O)O[C@H](C)c1ncccc1Br 841273399 HMIKSGNZOWCRHU-SNVBAGLBSA-N 298.180 3.805 30 20 CHED FC1(F)CCC(CON=Cc2cccs2)CC1 842015372 JXVGWJGEIWCCQW-UHFFFAOYSA-N 259.321 3.924 30 20 CHED CSCC1(CC(=O)O[C@@H](C)c2ccc(C#N)cc2)CC1 844416380 NJYRBZLUEAOSLK-LBPRGKRZSA-N 289.400 3.696 30 20 CHED Cc1cc(C(=O)O[C@H](C)CC(C)(C)C#N)c(F)cc1F 851210668 XEUAZLFRYKHULX-SNVBAGLBSA-N 281.302 3.758 30 20 CHED FC(F)(F)[C@@H]1CCC[C@H](C=NNc2ccccn2)C1 853269340 SVFKLNDDPFBHST-WDEREUQCSA-N 271.286 3.848 30 20 CHED C[C@@H]1CCCCN1N=Cc1cc2cc(Cl)cnc2o1 853381451 CWFJOBKMGXJAOU-SNVBAGLBSA-N 277.755 3.690 30 20 CHED CCCCCCCNC(=O)N1CCC2(CCOCC2)CC1 858114036 TXIRYLKQXXDRBH-UHFFFAOYSA-N 296.455 3.559 30 20 CHED CC(=NNc1ncncc1F)c1cccc(C(C)C)c1 863115663 UMWGNQLDAFHIJT-UHFFFAOYSA-N 272.327 3.575 30 20 CHED Cc1cc(N(C)C)ccc1/C=C1/CCc2scnc2C1=O 863198811 UIICWIOSHYVACV-LCYFTJDESA-N 298.411 3.730 30 20 CHED CC(C)N1CCC(CCN[C@@H](C)c2cccc(C#N)c2)CC1 866467390 GSWUAHLRKBQHPJ-INIZCTEOSA-N 299.462 3.719 30 20 CHED C#CC[C@H](OC(=O)[C@@H](CC)CCC)c1ccccn1 873502906 HAXNHJWPEPDIMG-ZFWWWQNUSA-N 259.349 3.516 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 878315953 YOEBHQCXPFHSDO-DGCLKSJQSA-N 261.365 3.622 30 20 CHED C=C1CCC(C(=O)N[C@@](C)(C2CC2)C(F)(F)F)CC1 889291673 MDKKQUDPWYIUBW-ZDUSSCGKSA-N 275.314 3.580 30 20 CHED N#Cc1ccc(N2CCC[C@H]2c2ccccn2)c(Cl)c1 891974567 QEDOELUICNUQTG-INIZCTEOSA-N 283.762 3.948 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)NCC(C)(C)CCC#N 894858689 KOOUVXPTBDLQCT-UHFFFAOYSA-N 299.418 3.651 30 20 CHED C=C1CCC(C(=O)N(Cc2cccc(O)c2)CC2CC2)CC1 896334578 PJFJCEZHVFXHNH-UHFFFAOYSA-N 299.414 3.877 30 20 CHED CCc1onc(C)c1/C=C1/Cc2ccc(F)cc2C1=O 899362180 MOKUGXKDUHTKPO-XFFZJAGNSA-N 271.291 3.507 30 20 CHED CC(C)(C)CN(CCC#N)C(=S)Nc1cccc(F)c1 899468553 GYJZROXABKZORM-UHFFFAOYSA-N 293.411 3.784 30 20 CHED Cc1cc(Cl)ccc1C(=O)N(O)Cc1ccc(F)cc1 901375025 BFMQJTPKGKRHCZ-UHFFFAOYSA-N 293.725 3.819 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1ccsc1C#N 901446054 CQJCOQDWGZUOLA-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C#CCCCCCCN[C@@H](C(=O)O)c1ccc(C)c(C)c1 901846690 WPELVOYAJTVWIR-QGZVFWFLSA-N 287.403 3.602 30 20 CHED N#CC1(CCCCONC(=N)c2ccccc2F)CCC1 902749816 WHFPJMNBTUTEEM-UHFFFAOYSA-N 289.354 3.536 30 20 CHED COc1ccc(Cl)cc1[C@H](C)NCC1(C#N)CCC1 903030751 FROAQELYTMDHJU-NSHDSACASA-N 278.783 3.693 30 20 CHED N#CC1(CN[C@@H]2CCc3ccc(Cl)cc32)CCC1 903033539 WVECCHNFVHWTEG-CQSZACIVSA-N 260.768 3.611 30 20 CHED CC(C)(C#N)CN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 903099920 BZOVCIWQXDUFHO-CYBMUJFWSA-N 298.308 3.712 30 20 CHED CCCCCCCCCC(=O)Nc1nnc2ccccn12 915068475 YBZAVJQRFHWYGR-UHFFFAOYSA-N 288.395 3.809 30 20 CHED Oc1cccc(C=Nc2ccc(N3CCCCC3)cc2)c1O 916657483 AGWFPYRIGUEZLL-UHFFFAOYSA-N 296.370 3.839 30 20 CHED C=C(C)CNc1ccc(C(=O)N(CC)CC)c(Cl)c1 917820068 VEUHDJFUMUDVRW-UHFFFAOYSA-N 280.799 3.810 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(C)C 918063079 MUWUAAIJQCNWCM-ARFHVFGLSA-N 278.440 3.951 30 20 CHED C=CCOc1cccc(N=Cc2c(O)cccc2OC)c1 920178852 YDGAVTBMVCGWAA-UHFFFAOYSA-N 283.327 3.716 30 20 CHED CCSc1ccccc1CC(=O)OCCCCC#N 923076656 DFQQGDHNPMQNKU-UHFFFAOYSA-N 277.389 3.578 30 20 CHED Cc1ccc(C#N)cc1C(=O)OCc1cc(C(C)(C)C)on1 924390591 CRVLGPJQEBNCMM-UHFFFAOYSA-N 298.342 3.509 30 20 CHED C=C[C@H](CC)CC(=O)NCc1ccc(N2CCCC2)cc1 930206265 URKPXSPAZILWKF-OAHLLOKOSA-N 286.419 3.505 30 20 CHED C=CC[C@H](C)NC(=O)N1Cc2ccccc2C2(CCC2)C1 1117283295 LDEBCBOIBGFXNT-AWEZNQCLSA-N 284.403 3.598 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](CC)c1ccc(C)cc1 1117651872 AWHACTLZQOHBKB-KRWDZBQOSA-N 284.403 3.501 30 20 CHED N#Cc1nc(N2CC[C@@H]3CCCC[C@@H]3C2)sc1Cl 1118578107 BGBVVJPGMWFYNI-VHSXEESVSA-N 281.812 3.685 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccnc2cc(Cl)ccc12 1122897787 LEJJTBDERBZHFI-LLVKDONJSA-N 288.734 3.737 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)cc1F 1125801195 IFJCQTRJHXGGBG-BBRMVZONSA-N 288.366 3.786 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccsc1Cl 1126998180 XYMNNACNHWKQOP-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1sccc1NC(=O)c1ccc(C#N)c(Cl)c1 1132352608 JFJFONDEYXPXEX-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCN(Cc1ccc(C#N)c(F)c1)Cc1ccccc1F 1139529149 LCIXTGNWDHSAHF-UHFFFAOYSA-N 286.325 3.859 30 20 CHED CN(C(=O)CSCC1CCCC1)C1(C#N)CCCCC1 1166945407 XITTWHMAFMMOCZ-UHFFFAOYSA-N 294.464 3.595 30 20 CHED COc1cccc2c1CC[C@H](Nc1cc(F)cc(C#N)c1)C2 1183324427 MUSQXCGBTQZTSY-HNNXBMFYSA-N 296.345 3.675 30 20 CHED CCOc1ccc(C[C@@H](C)CNc2cccc(C#N)n2)cc1 1186654841 ODNLAXQHZUVIAZ-CQSZACIVSA-N 295.386 3.643 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1 1252709575 NIHYMMGRFDBWCS-UHFFFAOYSA-N 281.702 3.929 30 20 CHED CC1(C)CC(NC(=O)c2ccsc2C#N)CC(C)(C)C1 1266702975 ZIXQCSXFOVRFCS-UHFFFAOYSA-N 290.432 3.954 30 20 CHED C[C@H]1C[C@@H](NC(=O)[C@@H](CC#N)c2ccccc2)CC[C@H]1C 1267935828 YCGSAUFUHDKRPO-OHFALNGGSA-N 284.403 3.625 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1cc2ccccc2s1 1321624578 DEQKVUJSACIRBW-YPMHNXCESA-N 261.390 3.753 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(OC)c(-c2ccccc2)c1 1322845511 GBUBHUBDLJOOKM-UHFFFAOYSA-N 293.366 3.504 30 20 CHED C#CCC(C)(C)c1nc(-c2cc3ccccc3o2)no1 1325517724 WWIRBDUJKMMSSP-UHFFFAOYSA-N 266.300 3.784 30 20 CHED CCC(=NOC(C)(C)C)c1cc(OC)c(OC)c(OC)c1 1326447376 UOBJVHZXPXXJEF-UHFFFAOYSA-N 295.379 3.642 30 20 CHED C[C@H](CC1CCCCC1)C(=O)OCC1(CC#N)CC1 1327424708 UJHFMRROWJKQPI-CYBMUJFWSA-N 263.381 3.830 30 20 CHED CC[C@@H](c1ccccc1)c1nnc(C2(C#N)CCC2)o1 1327919485 NNYBUJOJHANTNH-ZDUSSCGKSA-N 267.332 3.557 30 20 CHED C=CC[C@H]1CCCN(C(=O)CC(C2CC2)C2CC2)C1 1331247948 QSDGLKSHDLRDLU-ZDUSSCGKSA-N 261.409 3.627 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccccc1CC(C)(C)C 1337807375 FBKJVWVFQWJTMO-ZDUSSCGKSA-N 272.392 3.649 30 20 CHED Cc1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c(Cl)c1C 1343352068 UCWIOWTWJPKMPE-NEPJUHHUSA-N 277.751 3.806 30 20 CHED C[C@@]1(CCNc2cccc(CC#N)n2)CC1(Cl)Cl 1347840374 SWAAEYMJVFZORH-GFCCVEGCSA-N 284.190 3.534 30 20 CHED Cc1ccc(C(=O)O[C@H](CC#N)c2ccco2)c(C(C)C)n1 1347948389 GLEKYIZHNOIEHW-OAHLLOKOSA-N 298.342 3.918 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1cc(C#N)ccc1OC 1351731451 WYGBGODNFMGKKC-UHFFFAOYSA-N 298.317 3.521 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1ccsc1C#N 1352807448 ZBTJQKRHVUOUAH-LLVKDONJSA-N 264.394 3.564 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(F)c(F)c1 1353904220 IYBNAJHWNFDYJV-GFCCVEGCSA-N 265.303 3.536 30 20 CHED Cc1nc(N[C@@H](C)[C@H]2CCC[C@H](C)C2)ccc1C#N 1458434742 XWUROTZGJYMISB-OBJOEFQTSA-N 257.381 3.888 30 20 CHED C=C(Br)CN(C)c1ccc(C)c(Cl)c1 1459738881 YGWBZBZQMVOHLG-UHFFFAOYSA-N 274.589 3.993 30 20 CHED CC(C)c1cnc(SCC2(C#N)CC2)n1C1CC1 1472992300 XRJKDEKERXDPNO-UHFFFAOYSA-N 261.394 3.737 30 20 CHED CCO[C@H]1C[C@H](N(C)CCC2(C#N)CCCCC2)C1(C)C 1473181611 ODOADTPZXLRITI-HOTGVXAUSA-N 292.467 3.986 30 20 CHED CC1(C)CCC[C@H](OC(=O)Cc2ccc(C#N)cc2)C1 1528164066 KVSOHXNTKKGIMQ-HNNXBMFYSA-N 271.360 3.613 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 1530316291 MIMBFEOYSJVCKN-ZSHCYNCHSA-N 290.451 3.991 30 20 CHED Cc1cc(NC(=O)Cc2cccc(C#N)c2)ccc1Cl 1537688805 QXNSJOIRLVDJSZ-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C=C(CC(C)C)C(=O)NC1CCC(C(F)F)CC1 1548719242 LFPBLJRXHNNSNF-UHFFFAOYSA-N 259.340 3.529 30 20 CHED CC[C@H]1CCCC[C@H]1CNCc1ccc(OC)c(C#N)c1 1560489005 VXVJEHQINIKMOM-HOTGVXAUSA-N 286.419 3.873 30 20 CHED C=CC[C@@H](Sc1ccc2c(c1)CCCC2)C(=O)O 1573352751 JESWSDGFCKWGEE-CQSZACIVSA-N 262.374 3.687 30 20 CHED N#CC1(CCN2CCc3ccc(C(=O)O)cc32)CCCCC1 1601054388 LMONNLVTLJYXPD-UHFFFAOYSA-N 298.386 3.611 30 20 CHED C=C[C@H](N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C)C(=O)O 1602817488 XUMCDSLYSRIVMI-JKSUJKDBSA-N 289.419 3.910 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)n1 1612432732 PUOXUPLLBOLPPT-SDADXPQNSA-N 295.430 3.733 30 20 CHED CCCN(Cc1ccc(OC)cc1)c1cc(C)c(C#N)cn1 1612746697 AZBYUIUBLBKPAI-UHFFFAOYSA-N 295.386 3.687 30 20 CHED C=C(Cl)CNC(=O)c1ccc(Cl)c2occc12 1629552291 SZWHFPUVDBBYGP-UHFFFAOYSA-N 270.115 3.569 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)[nH]2)c2ccccc2c1 1636986026 WPLITEXMOJFZRX-UHFFFAOYSA-N 275.311 3.600 30 20 CHED Cc1nc(NC[C@@H]2CCCC(C)(C)C2)ccc1C#N 1640035852 AULRPBLADRTBHC-CYBMUJFWSA-N 257.381 3.890 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCCc3ccc(C)cc32)n1 1642739870 FXZRYFMVLHBEIG-MRXNPFEDSA-N 292.386 3.709 30 20 CHED C=C(Cl)CNCc1ccc(OCc2ccncc2)cc1 1650316773 VBSVKNDWXNUBQC-UHFFFAOYSA-N 288.778 3.503 30 20 CHED COc1cc(C#N)ccc1CN(C)CCc1ccccc1C 1653706372 FFXVLEXJBMKARJ-UHFFFAOYSA-N 294.398 3.550 30 20 CHED C=C(Cn1c(C)nnc1N(CCC)CCC)c1ccccc1 1722538933 AUTHSEMCZJUBMO-UHFFFAOYSA-N 298.434 3.926 30 20 CHED C=CCCC[C@H](NCc1cccc(C(F)F)c1)C(=O)O 1776172437 ZCPONQUKBCUANH-ZDUSSCGKSA-N 283.318 3.523 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 4582960 GGJXWVMYGJQGIB-NYYWCZLTSA-N 283.302 3.680 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1O 5128219 JCEIPTYSMBSJIH-FPYGCLRLSA-N 297.310 3.813 30 20 CHED CCc1ccc([C@H](C/N=C/c2ccccc2O)N(C)C)cc1 5292412 BENDTXBPEMNUCP-ACRNLXFHSA-N 296.414 3.676 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2cccnc2)cc1 5568217 YVFBKRKBRUUIHF-XFXZXTDPSA-N 280.371 3.824 30 20 CHED Cc1cc(C)cc(C(=O)Nc2ccc(CC#N)cc2)c1 15028923 AHUYRCZDJNRTFV-UHFFFAOYSA-N 264.328 3.622 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1C 24034438 SWYTUIJNXJAKTM-KRWDZBQOSA-N 278.355 3.748 30 20 CHED N#Cc1cccc(OCCSc2ccc(F)cc2)c1 34651690 ZVQHOTPXEOMTOH-UHFFFAOYSA-N 273.332 3.868 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 42566804 WARQTDAKLCHBCN-RYUDHWBXSA-N 296.292 3.865 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccs1 45403953 ZHOQQQQIBMNDCI-UHFFFAOYSA-N 284.384 3.672 30 20 CHED Cc1cc(C(=O)N(C)c2cccc(C#N)c2)c(C)s1 49121563 QSUYYZHPCINUSA-UHFFFAOYSA-N 270.357 3.513 30 20 CHED N#Cc1ccc(C(=O)N(CC2CCCCC2)C2CC2)cc1 55825835 QFNSBFXGRBXTKP-UHFFFAOYSA-N 282.387 3.743 30 20 CHED CCCN(CC#N)C(=O)CCSc1ccc(C)c(C)c1 60541906 MSARQOZCQVMLGK-UHFFFAOYSA-N 290.432 3.548 30 20 CHED N#CCCCSc1nnc(-c2cccc(Cl)c2)o1 60599866 MOSKEUZEMAKHJU-UHFFFAOYSA-N 279.752 3.786 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc(CC#N)c1 68709796 BPGQVEOKOGWFHZ-DOTOQJQBSA-N 284.403 3.841 30 20 CHED Cc1c(Cl)cccc1NC(=O)Cc1ccc(C#N)cc1 70158501 FNFFLJOGAZINJI-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CCc1ccccc1CNc1ccc(C#N)cc1F 84203522 SMLKBEMTMIUBMT-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)CC#N)c1ccc2ccccc2c1 84599161 KVPHQVLGYDVBHJ-KBPBESRZSA-N 280.371 3.704 30 20 CHED CC[C@H](C#N)OC(=O)CCCc1cc(C)sc1C 84711049 JECULGTWOWUETL-CYBMUJFWSA-N 265.378 3.533 30 20 CHED COc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 90339736 PUXZUOUMTHLLAY-KGLIPLIRSA-N 280.371 3.979 30 20 CHED C=C(C)COc1cccc(NCc2cn(C)nc2CC)c1 92413690 XQAFQFHPORMYOH-UHFFFAOYSA-N 285.391 3.550 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)ccc1OC 93548381 GOYKWIMLWDTNQA-UHFFFAOYSA-N 263.312 3.541 30 20 CHED CCCCCCC[C@H](C)NC[C@H]1CCN(C2CC2)C1 103028045 NQTULGVNJSFIGW-JKSUJKDBSA-N 266.473 3.809 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(O)c1)C2 108145400 AAASOEDVWNTILJ-ZSOIEALJSA-N 250.297 3.523 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1cc(F)ccc1F 116974061 IKGZCBFGTPQTHE-GHMZBOCLSA-N 282.334 3.632 30 20 CHED C=CCC[C@@H](NCc1cccc(CN(C)C)c1)C1CC1 119995236 CSMUHZSNIZGUDV-GOSISDBHSA-N 272.436 3.583 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc([N+](=O)[O-])c1C 121032323 DBFYKEVQRKYZNG-UHFFFAOYSA-N 274.320 3.610 30 20 CHED N#CCCCCSc1nnc(-c2cccs2)o1 121914808 BUCCEWNLUWOEMH-UHFFFAOYSA-N 265.363 3.584 30 20 CHED CC(=O)Nc1cc(NCc2cccc(C#N)c2)ccc1Cl 121932429 BYGHZJMTWFIMKV-UHFFFAOYSA-N 299.761 3.782 30 20 CHED COc1ccc(CNc2ccc(OC(C)C)cc2)cc1C#N 124940376 GQPJVFGNOKCISY-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C=C(C)CN1CCC(NC2CC(c3ccccc3C)C2)CC1 127420647 PQZPUYDPYIJHIC-UHFFFAOYSA-N 298.474 3.871 30 20 CHED CCN(Cc1ccccc1C(F)(F)F)C[C@H](C)C#N 128017160 YGAHWJPREXVBKT-LLVKDONJSA-N 270.298 3.687 30 20 CHED N#CCC[C@H](NCc1ccc(F)cc1)c1ccccc1 130585604 SLNLRMXNPIVKEW-KRWDZBQOSA-N 268.335 3.960 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1cnn(C(C)C)c1 131174396 JRBTVGDJSNGGMP-FNORWQNLSA-N 272.323 3.808 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(F)cc1OCCC 131277077 SIWUXCYVRCBGHU-GFCCVEGCSA-N 295.354 3.534 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 134385363 KLAMPGOYANOYTL-MRXNPFEDSA-N 285.391 3.991 30 20 CHED C[C@@H]1/C(=C\c2cccc(O)c2)C(=O)c2c(O)ccc(F)c21 136564224 WIHGUQPYBAUFPV-YXYQAXARSA-N 284.286 3.620 30 20 CHED C=C[C@@H](CC(=O)N1CCC(C)(C)C1)c1ccccc1 136635101 MRTJIOBKYDHZEC-AWEZNQCLSA-N 257.377 3.605 30 20 CHED CCCOc1ccc2c(c1)C(=O)/C(=C\c1cccnc1)CO2 141656445 TWZLMNZPUFIZTB-ZROIWOOFSA-N 295.338 3.529 30 20 CHED C[C@@H]1CC[C@H](CC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)C1 151529681 WIFHFGQGJAKZPK-FRRDWIJNSA-N 281.359 3.565 30 20 CHED CC(C)(C)OC1CC(Nc2ccc(CC#N)cc2)C1 154245821 ASOOMLRWTIRQRC-UHFFFAOYSA-N 258.365 3.511 30 20 CHED C=CCC[C@H](Nc1ccnc(C)n1)c1ccccc1 154589462 HCVIRMBHYQMFLY-HNNXBMFYSA-N 253.349 3.904 30 20 CHED C=CCN(C(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 155278896 YXNXBYWSVKCDMX-UHFFFAOYSA-N 298.292 3.669 30 20 CHED CCSc1ccccc1OC[C@@H](C#N)CCC#N 155289081 BRMSBZQIRYLGMZ-GFCCVEGCSA-N 260.362 3.621 30 20 CHED CCc1ccccc1C(=O)N[C@H](C)c1ccc(C#N)cc1 155688754 UFYIOHAEZZYXAI-CYBMUJFWSA-N 278.355 3.612 30 20 CHED CC[C@@H](C#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 158897893 ZFPPKZJUPDRBLK-KZUDCZAMSA-N 262.397 3.567 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCCc3sccc32)cc1 160965767 QLQBWBAEBRSKAH-QGZVFWFLSA-N 297.423 3.927 30 20 CHED N#C[C@@H](C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccn1 171796829 HZKMFACLULAMBP-CQSZACIVSA-N 287.322 3.567 30 20 CHED CCC(CC)CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 172597859 UXVAHIRCJIDCGX-UHFFFAOYSA-N 299.418 3.668 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)CC1 174779216 NBXCNXYILWHMNJ-AWEZNQCLSA-N 289.394 3.819 30 20 CHED Cc1ccccc1OCCN(C)CCCC(C)(C)C#N 174812513 AUCVFIQETHHMFY-UHFFFAOYSA-N 274.408 3.636 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cc(Oc2ccccc2)ccn1 176037308 AZERONWWNBBTIV-INIZCTEOSA-N 296.326 3.579 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1F 176576379 USSDVHILZCJBKT-WBMJQRKESA-N 288.366 3.518 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C#N)cs2)cc1F 176840960 LXPHCAJBOTVCPE-ONEGZZNKSA-N 287.315 3.664 30 20 CHED C=CCN1CCC(N[C@H](C)c2ccc(Cl)s2)CC1 177906455 GXQKLMVMNKNPLV-LLVKDONJSA-N 284.856 3.703 30 20 CHED C[C@H](Cc1ccccc1F)NCc1ccc(C#N)cc1F 178784211 ZLKMLHFSYAJTOF-GFCCVEGCSA-N 286.325 3.557 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)CCCc2c[nH]c3ccccc23)C1 178791808 ANKYWPPQAUZCHL-DZGCQCFKSA-N 296.370 3.726 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(CSCC)cc1 180404878 SXQUIHRJMSDDHT-UHFFFAOYSA-N 263.406 3.588 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2cc(C#N)ccc2C)cc1 181143222 XPDYLMHNTPGDBY-OAHLLOKOSA-N 292.382 3.992 30 20 CHED CC(C)Oc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cn1 181517996 XAGFUTXNLLLDPE-AWEZNQCLSA-N 295.386 3.591 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 183114715 XZKKFRSMGKXHEK-ZDUSSCGKSA-N 298.390 3.943 30 20 CHED C#CCOc1ccccc1NCc1cccc2[nH]ccc12 185172022 YALZOZLLDRYHOV-UHFFFAOYSA-N 276.339 3.792 30 20 CHED CC#CCCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C 185726149 DRYFEHIJEFERRC-KRWDZBQOSA-N 289.394 3.703 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1ccc(OC(F)F)cc1 186376651 UIOZZAIAJLVIKS-LREOWRDNSA-N 293.244 3.718 30 20 CHED C=C(C)[C@@H](N[C@@H](C)C1CC1)c1ccc(F)c(F)c1 186446534 JOKXIZZNWCODNY-ZUZCIYMTSA-N 251.320 3.970 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](C)Cc1cccs1 188452709 GXRCZVQOGNCLOJ-IUODEOHRSA-N 265.422 3.645 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1c(C)cccc1C 188528345 XNURNOOKWXDGSB-QGZVFWFLSA-N 259.393 3.564 30 20 CHED C=CCC[C@@H](C)Nc1ccc(Cc2nnc3n2CCC3)cc1 188586847 LQDYCBYQCLQVBS-CQSZACIVSA-N 296.418 3.582 30 20 CHED CC(C)C1(C)CCN(C(=O)c2cccc(F)c2C#N)CC1 190359615 BOMOIFKLAXQJBT-UHFFFAOYSA-N 288.366 3.596 30 20 CHED C=CCC1(C(=O)N2CCCc3ccccc3C2)CCC1 191435441 JRQDOKIHXADANX-UHFFFAOYSA-N 269.388 3.708 30 20 CHED C#CCCCC(=O)N(c1ccc(F)cc1)C1CCCC1 192384361 LSXQITSVAVUSME-UHFFFAOYSA-N 273.351 3.905 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)C[C@@H]1CCCOC1 192827870 ISBKCGBQJNZAAE-CVEARBPZSA-N 283.456 3.916 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cnn(-c3ccccc3F)c2)C1 193103526 KOURDMZVAHIQJU-STQMWFEESA-N 284.338 3.506 30 20 CHED C=CCc1cc(/C=C/c2ccc(C#N)cn2)cc(OC)c1O 195295485 QYCAYUBGOFGBEA-FNORWQNLSA-N 292.338 3.566 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)CCc2cc(O)ccc21 209920472 PWLSQYGCQKPAEO-WQLSENKSSA-N 286.277 3.883 30 20 CHED N#Cc1ccc(NCc2cccc(C#N)c2F)c(Cl)c1 230055335 FWBZKWZATKXDSK-UHFFFAOYSA-N 285.709 3.835 30 20 CHED Cc1ccc([C@@H](C)NCc2cccc(C#N)c2F)s1 230635926 KNXLLYWRPISDBT-LLVKDONJSA-N 274.364 3.918 30 20 CHED C[C@@H]1CCC[C@H](c2noc(-c3ccc(C#N)cc3)n2)C1 230997644 XTRCETSHLIFTMI-RISCZKNCSA-N 267.332 3.902 30 20 CHED CSCC[C@@H](C)N(C)CCCCC(C)(C)C#N 235039920 AXBLMLNXQQDXQW-CYBMUJFWSA-N 256.459 3.780 30 20 CHED CC[C@@H]1CCCN(C(C)(C)CNCc2cccc(C#N)c2)C1 236940194 UGAFFPZHVCMQJC-MRXNPFEDSA-N 299.462 3.548 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[C@@H](SCC)C1 249029727 BBAUFPUITBYGGF-GZBFAFLISA-N 269.454 3.721 30 20 CHED COc1cccc(C=Nc2ccccc2SC)c1O 255318977 LKNZEEFNBORWCY-UHFFFAOYSA-N 273.357 3.873 30 20 CHED Cc1ccc(C#N)cc1NC(=O)/C=C\c1ccccc1 255464931 JEKJGJHKDJNIRH-KTKRTIGZSA-N 262.312 3.519 30 20 CHED COc1ccc(OC)c(C(=O)/C=C\c2cc(C#N)cs2)c1 255640529 PKLFVHXPJJTJFC-PLNGDYQASA-N 299.351 3.533 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1cccs1 255668266 VKNNQDCLUVXFKL-ARJAWSKDSA-N 250.269 3.922 30 20 CHED C[C@@H](CC#N)N(C)C(=O)/C=C/c1cc(Cl)ccc1Cl 264012050 BISRUGCJSXZSFG-YVGDHZEHSA-N 297.185 3.767 30 20 CHED CC(C)(C)OC1CCN(c2ccc(C#N)c(Cl)c2)CC1 268232587 BMEFQZPPTGCFIQ-UHFFFAOYSA-N 292.810 3.996 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CCOC2(CCC2)C1)c1ccccc1 270433899 XHLCWLRVWIIJNI-WBVHZDCISA-N 299.414 3.564 30 20 CHED C#CCCCNc1cccc(NC(=O)OCC(C)C)c1 270915946 MQCGMCOYYSNJIE-UHFFFAOYSA-N 274.364 3.716 30 20 CHED Cc1ccc(SCC(=O)N[C@](C)(C#N)C(C)(C)C)cc1 272434746 RJWFMUICGPYJGL-MRXNPFEDSA-N 290.432 3.532 30 20 CHED C=CCCc1nc(-c2cccnc2OC2CCCC2)no1 273722999 JRKOKGWVKIHVSD-UHFFFAOYSA-N 285.347 3.572 30 20 CHED C=CCC[C@@H](C)NCc1ncc(-c2ccccc2)cn1 274012018 CAGURRDOTXQIOS-CQSZACIVSA-N 267.376 3.588 30 20 CHED C[C@H]1CCCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 274827330 LDGAYOJCKDHWBG-NSHDSACASA-N 291.782 3.866 30 20 CHED CCc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 276591983 JTQZRCVOZAOSBW-LIRRHRJNSA-N 294.398 3.505 30 20 CHED CC(C)Cn1ccc2c(C(=O)N(C)[C@@H](C)CC#N)cccc21 278027027 QQJGRFQHROKHJI-AWEZNQCLSA-N 297.402 3.671 30 20 CHED Cc1ccc(NC(=O)NCCCCC#N)cc1OC(C)C 278392349 FADAUOXDKYXROD-UHFFFAOYSA-N 289.379 3.598 30 20 CHED C=CCCCc1nc(-c2ccc(C)cc2OC)no1 278723649 OYEAYCDYUNREQR-UHFFFAOYSA-N 258.321 3.562 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(C(C)C)no1 279195328 AAQLLDLUCBGDRZ-UHFFFAOYSA-N 285.391 3.771 30 20 CHED Cc1cc[nH]c1C(=O)Nc1ccccc1S[C@H](C)CC#N 280633928 MKEFCUDHWDQHQR-GFCCVEGCSA-N 299.399 3.970 30 20 CHED CCCCCCCCCN(C)C(=O)CCc1cnccn1 280713890 XKRUAGXXESNPOE-UHFFFAOYSA-N 291.439 3.618 30 20 CHED COc1cc(CNC2(c3ccccc3)CCC2)ccc1C#N 281619456 HGLYPMHAYIONTN-UHFFFAOYSA-N 292.382 3.736 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(C)c(Cl)c(C)c1 282950382 HPNXJBWOHFRZFX-UHFFFAOYSA-N 279.771 3.724 30 20 CHED CC[C@](C)(C#N)C(=O)NCC(C)(C)c1ccc(Cl)cc1 285232133 YHJKBMUTSBIIJZ-MRXNPFEDSA-N 292.810 3.674 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(-c2ccccc2)ns1 287833812 DBMBIIVMHVBYAM-OAHLLOKOSA-N 285.372 3.688 30 20 CHED Cc1csc(NC(=O)Cc2ccc3c(c2)CCC3)c1C#N 288807278 MAVCYJKQAZYUKT-UHFFFAOYSA-N 296.395 3.598 30 20 CHED CCC(CC)N(CC)C(=O)Nc1ccc(CC#N)cc1 288819283 MYQFSLNTYRELHO-UHFFFAOYSA-N 273.380 3.795 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncc(Cl)cc1C 291423928 IGXCHLRLAAGXEG-UHFFFAOYSA-N 264.756 3.750 30 20 CHED N#CCCCCNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 293105764 PFEHJVUSVKTODA-INIZCTEOSA-N 297.402 3.617 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H](C)c1c(C)noc1C 294064377 BFTHFAJFFGYWFH-LLVKDONJSA-N 278.396 3.504 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC1(F)F 294485538 DPXATDUVRSXMOD-ZJUUUORDSA-N 296.342 3.675 30 20 CHED C#CCO[C@@H](C)c1nc(-c2cccc(SCC)c2)no1 296280749 CPGRAUZMIVOLES-NSHDSACASA-N 288.372 3.559 30 20 CHED COc1c(C)ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1C 298363082 RKGJCKSTVYLTGF-GOSISDBHSA-N 298.386 3.725 30 20 CHED Cc1ccc(OCCNc2c(F)cc(C#N)cc2F)cc1 301125145 SRTJRWPXYSBPGN-UHFFFAOYSA-N 288.297 3.636 30 20 CHED N#Cc1nc(NCc2ccc3c(c2)CCC3)ccc1Cl 301187717 WGKNLMCQEJBBSQ-UHFFFAOYSA-N 283.762 3.707 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(c2ccc(C#N)cc2F)C1 302117071 DDBGZGJTUVJUIP-SJCJKPOMSA-N 281.334 3.680 30 20 CHED C[C@@H](CCC1CC1)Nc1snc(Cl)c1C#N 302230833 XDCTTZYOJTYRFG-ZETCQYMHSA-N 255.774 3.659 30 20 CHED CC[C@H]1Cc2ccccc2CN1c1ncc(C#N)cc1Cl 302233365 ZMOYMTRPTVLWAI-HNNXBMFYSA-N 297.789 3.948 30 20 CHED CCO[C@H](CCNc1c(C#N)cccc1C#N)C1CCCC1 302871388 BWOARGIWRAFIBR-QGZVFWFLSA-N 297.402 3.827 30 20 CHED CC(C)(C)[C@H]1OCCC[C@@H]1CNc1c(C#N)cccc1C#N 302873804 DLGOXRKGTXXIKT-WBVHZDCISA-N 297.402 3.683 30 20 CHED CCCC[C@H](CC)C/N=C(/N)Nc1ccc(OC)cc1 303702876 JDRZLCTVVOFYDX-ZDUSSCGKSA-N 277.412 3.638 30 20 CHED CC(C)(C)N/C(N)=N/CC(c1ccccc1)c1ccccc1 303769866 BGNCUWFRRIMLCL-UHFFFAOYSA-N 295.430 3.521 30 20 CHED Cc1ccccc1CCC(=O)Nc1cccc(CC#N)c1 313443260 LYMGGAHIMMPTFL-UHFFFAOYSA-N 278.355 3.632 30 20 CHED C=C(CC)CNCc1ccc(OC)c(Br)c1 313506521 SAIZIZVIEOENQJ-UHFFFAOYSA-N 284.197 3.514 30 20 CHED OC(C[C@H]1C[C@H]2CC[C@H]1C2)=Nc1ccc(-n2cccn2)nc1 329245152 QJSJOYKUSRIONW-MELADBBJSA-N 296.374 3.682 30 20 CHED Cc1cc([C@H](C)N/C(O)=N/C[C@H]2CCCCS2)c(C)o1 330811571 BWSJYNQIKSNYRL-WCQYABFASA-N 296.436 3.747 30 20 CHED C=C[C@@H](C)/N=C(/O)c1cc(C)nc2onc(C(C)C)c12 330927659 KOMXNJYCAGJCAO-SECBINFHSA-N 273.336 3.534 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]1C#N 331153177 XSDGHUUUOPHZAK-BZUAXINKSA-N 276.424 3.791 30 20 CHED CSc1ccsc1C(=O)Nc1ccc(C#N)c(F)c1 335677131 CDHIIELTEQGZFI-UHFFFAOYSA-N 292.360 3.733 30 20 CHED CSc1ccsc1C(=O)N1CCCC(C)(C)[C@H]1C#N 336141533 YEGKVQMBTUQHMZ-LLVKDONJSA-N 294.445 3.624 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)[C@H]1COc2ccccc21 336209900 MMIQZTZVUJMBAV-DFFOAJLQSA-N 284.403 3.613 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1 336586967 RLZVUOAICCHYHX-SFHVURJKSA-N 290.366 3.578 30 20 CHED CC#CCN(C)Cc1nc(-c2ccc(C)cc2)cs1 339762333 AETICOSSSBRFGA-UHFFFAOYSA-N 270.401 3.574 30 20 CHED N#CCc1cccc(C(=O)N[C@H](c2cccs2)C2CC2)c1 340560493 GCHKBXWRQGRGDQ-INIZCTEOSA-N 296.395 3.695 30 20 CHED CC(C)c1ncc(CN[C@@H](C)c2ccc(C#N)cc2)s1 343189857 CEPZNLZMDRYIRU-LBPRGKRZSA-N 285.416 3.989 30 20 CHED CCc1cnc(CN[C@@H](CCC#N)c2ccccc2)s1 344313293 YLJCMLOPNHCTQB-HNNXBMFYSA-N 285.416 3.840 30 20 CHED C=CCC(CC=C)C(=O)Nc1scc(C)c1C(=O)OC 344942866 NVQPRERYTYLXTK-UHFFFAOYSA-N 293.388 3.550 30 20 CHED Cc1cccc(Oc2ccc(NC(=O)[C@@H](C)C#N)cn2)c1C 346880023 UFKTYXVIQLTACO-LBPRGKRZSA-N 295.342 3.589 30 20 CHED N#Cc1ccnc(SCc2cnc3ccccc3c2)c1 347732783 BRNGDVZWKGHHSI-UHFFFAOYSA-N 277.352 3.794 30 20 CHED Cc1cc2occ(CC(=O)N(C)CC(C)(C)C#N)c2cc1C 353249020 SWXBFYYUZHHVSU-UHFFFAOYSA-N 298.386 3.600 30 20 CHED N#Cc1cccc(CN2CCc3c(Cl)cccc3C2)c1 353522574 SIFYBXQAHGRYTE-UHFFFAOYSA-N 282.774 3.770 30 20 CHED CC(C)Oc1ccc(Cl)cc1NC(=O)N[C@H](C)CC#N 353716817 CXGHDTYHYHOLAL-SNVBAGLBSA-N 295.770 3.551 30 20 CHED C=C(CC)CN1CCC(OCCc2ccccc2)CC1 358503242 YEBKAFHSSPIQDZ-UHFFFAOYSA-N 273.420 3.676 30 20 CHED N#Cc1ccc(OCc2ncc(Cl)s2)c(Cl)c1 358876099 BQXHSCSKQLKQGB-UHFFFAOYSA-N 285.155 3.901 30 20 CHED N#CCCCC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 360493961 ZRYZNGUQFVWFCY-HOTGVXAUSA-N 270.376 3.523 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2cc(C#N)ccc2F)C1 362383765 BFZBMJNBISBPHK-GJZGRUSLSA-N 292.423 3.803 30 20 CHED C=CCSc1ccccc1C(=O)Nc1ncc(C)s1 362537033 DMKMIWWUHBYDRW-UHFFFAOYSA-N 290.413 3.982 30 20 CHED N#Cc1ccc(CN2[C@H]3CCC[C@H]2CC3)c(Cl)c1 380738665 PDEOHUFUWLQMTL-KBPBESRZSA-N 260.768 3.729 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCCC1(F)F 381482046 FOXZOVSFNBTYNZ-SECBINFHSA-N 254.255 3.545 30 20 CHED C=CCCCN(C)Cc1ccc2oc(C(=O)O)cc2c1 382486430 VFNFGIUBKJALBL-UHFFFAOYSA-N 273.332 3.529 30 20 CHED C=CC[C@@H](CC)Nc1ccc([N+](=O)[O-])c2cnccc12 393749092 MSRBPCTUCCGYMM-LLVKDONJSA-N 271.320 3.910 30 20 CHED Cc1nc(N2CC[C@H](C(C)(C)C)C2)c(Cl)cc1C#N 394040764 SHDXUAKTALUOSP-LBPRGKRZSA-N 277.799 3.788 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H]1CC(C)C 396883394 TVVRGOWCBOAMFI-MRXNPFEDSA-N 272.392 3.577 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 397707707 UHXNGJSTRKTGCJ-JTQLQIEISA-N 297.185 3.759 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC(F)(F)C1 409656398 IFUJTMLWMQEAQW-JTQLQIEISA-N 295.289 3.704 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H](C)CCCc1ccccc1 410835158 MSHVRYYGYPHXJQ-WBVHZDCISA-N 286.419 3.796 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)CC(C)(C)C1CC1 411059999 WCKCHCSEZOUOPY-UHFFFAOYSA-N 284.359 3.526 30 20 CHED CCO[C@H]1C[C@@H](NCC(C)(C)CC#N)C12CCCCC2 414175353 ZCJFGSKBFIMFCI-CABCVRRESA-N 278.440 3.644 30 20 CHED C=CCOc1cccc(CNC[C@@H](C)CC(F)(F)F)c1 414532351 UULGQYZEYNCVRI-LBPRGKRZSA-N 287.325 3.930 30 20 CHED CO[C@@H](COc1ccc(C#N)c2ccccc12)C1CC1 424095867 BJXAGXGBBAVTTK-KRWDZBQOSA-N 267.328 3.515 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H](Cc2ccccc2Cl)C2CC2)C1 424337607 ZQZPWOGRTMSNHA-XGWLTEMNSA-N 288.822 3.943 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCCC[C@H]1C 425607515 NQJCRYFLCUKZHX-BXUZGUMPSA-N 284.359 3.526 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425640093 RGZBSZSASSHAML-ZDUSSCGKSA-N 270.376 3.680 30 20 CHED Cc1[nH]ccc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 426280800 NSGJTQCEVJGRDQ-MRXNPFEDSA-N 295.386 3.615 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCN(c2ccccc2F)C1 426299413 VSYRBYITGNZZIL-GJZGRUSLSA-N 276.399 3.739 30 20 CHED Cc1ccc(-c2ccc(C(=O)NCCC#N)c(F)c2)cc1C 427616360 VWRPSIHIEWSOQK-UHFFFAOYSA-N 296.345 3.753 30 20 CHED CC1(CC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 428792378 HBCUOXHKNDRONW-HNNXBMFYSA-N 284.403 3.855 30 20 CHED N#CCC1(CNCc2csc3ccccc23)CC1 430004822 LQNAJMCTTJICDN-UHFFFAOYSA-N 256.374 3.685 30 20 CHED C=CCN(CCC#N)Cc1c(C)cc(Cl)cc1C 430089629 YRYXBJZQNDTBEI-UHFFFAOYSA-N 262.784 3.859 30 20 CHED CC(C)N(Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccccc1 430099600 KOOJMPYNAQMUAV-HNNXBMFYSA-N 281.403 3.868 30 20 CHED N#CCC1(CN[C@H]2CCSc3ccc(F)cc32)CC1 430743922 MCTWFVXUESELPN-ZDUSSCGKSA-N 276.380 3.646 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1sc(CCC)nc1C 439389713 SRXVDAWSYAGIPV-NSHDSACASA-N 281.425 3.880 30 20 CHED Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 442837866 KGLFPMBKISBTBG-MJQMVNBJSA-N 298.430 3.967 30 20 CHED Cc1cscc1-c1noc(COc2ccc(C#N)cc2)n1 445622469 BBQNHOVPVWGLCR-UHFFFAOYSA-N 297.339 3.557 30 20 CHED CCc1cncc(C(=O)Nc2sc(C)c(CC)c2C#N)c1 448225436 WGBIORQAJNCXOP-UHFFFAOYSA-N 299.399 3.700 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(Br)c1C 448876495 YTLVWEAWODXRGB-UHFFFAOYSA-N 282.181 3.908 30 20 CHED C=CCC1(C(=O)N2CC(COc3ccccc3)C2)CCCC1 451786902 LVINXTXOQJVQKB-UHFFFAOYSA-N 299.414 3.660 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(-c2ccco2)nc1C 452776787 SLERWNDFKKZNMF-UHFFFAOYSA-N 284.359 3.592 30 20 CHED C[C@H]1CC=C(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 456001040 RMDPIKILWIQYNI-YOEHRIQHSA-N 282.387 3.894 30 20 CHED C=CCC1(CNC(=O)CC[C@H]2CCCCO2)CCCC1 456480988 ACJHFDDDDLWCAF-OAHLLOKOSA-N 279.424 3.588 30 20 CHED C=C(CC)CNC(=O)c1sc(C)cc1Br 457856887 ZGIIHUUZRNYFKQ-UHFFFAOYSA-N 288.210 3.515 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCCC[C@@H](SC)C1 458810038 LVXQQWKQLJBPRF-CYBMUJFWSA-N 284.469 3.516 30 20 CHED C[C@H](Cc1cccc(F)c1)N(C)CCC(C)(C)C#N 459773921 VLTNIYUHUGDRTC-CYBMUJFWSA-N 262.372 3.628 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(C2CCC2)cc1 464710883 LQNLZVUOFNRVFR-OAHLLOKOSA-N 270.376 3.622 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H](C(C)(C)C)C1 466365831 AJHGRKQGXTXDOK-KBPBESRZSA-N 266.429 3.809 30 20 CHED N#CC1(CNC2(Cc3ccccc3)CCCCC2)CC1 467180580 MDOCNDKFCFNMEX-UHFFFAOYSA-N 268.404 3.825 30 20 CHED C=CC[C@@H]1N(C(=O)CC[C@H]2CCCCO2)CCCC1(C)C 470296186 HYXIKYVQFCFOGN-CVEARBPZSA-N 293.451 3.929 30 20 CHED C=CCOCCCN[C@H](C)c1c(F)cccc1Cl 470762446 TVSFGWKMKFEOKH-LLVKDONJSA-N 271.763 3.722 30 20 CHED C=CCCCCNC(=O)c1oc2ccc(F)cc2c1C 471680894 WWHCOZIBXVUNHV-UHFFFAOYSA-N 275.323 3.966 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCC(C)(C)C 471739024 VASXFBRAMCVCIY-UHFFFAOYSA-N 274.408 3.820 30 20 CHED C=CCCCCNC(=O)Nc1cnc(-c2ccccc2)nc1 472135569 ALOSPZVSPCBRKJ-UHFFFAOYSA-N 296.374 3.621 30 20 CHED C=CCCCCNC(=O)N[C@H](C)c1ccc(C)cc1 472842046 RGBJPVCHVUMGGQ-CQSZACIVSA-N 260.381 3.712 30 20 CHED C=CCCCCNC(=O)Nc1ccc(F)cc1Cl 473502692 LKGYYAYDGXBLJT-UHFFFAOYSA-N 270.735 3.957 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@]1(C)C(C)C 476420215 CHCOVBZACYQLIK-SJLPKXTDSA-N 271.404 3.883 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H]1CCCCc2ccccc21 477007798 VOUULQNJPIZGGW-BBRMVZONSA-N 289.444 3.878 30 20 CHED C=CCC[C@H](CC)NC[C@@](C)(Cc1ccccc1)[C@H](C)O 477849481 IKJNXDCXIMORIU-YTQUADARSA-N 289.463 3.951 30 20 CHED C=CCCCC(=O)N[C@H]1C[C@H](OCC)C12CCCCC2 479854816 WPELZJNOXCPCOL-GJZGRUSLSA-N 279.424 3.587 30 20 CHED COc1cc(C#N)ccc1OCCCc1cccc(F)c1 484038112 UJVWYIHLOOCKDD-UHFFFAOYSA-N 285.318 3.718 30 20 CHED N#Cc1cccc(NC[C@@H]2CCCCC(F)(F)C2)n1 488436040 BQJSQZXKVXVHOV-LLVKDONJSA-N 265.307 3.581 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc([N+](=O)[O-])c1 489889055 WGMSYGMQBSKXRU-ZDUSSCGKSA-N 295.342 3.659 30 20 CHED C#C[C@@H](NC(=O)c1ccoc1C1CC1)c1ccc(Cl)cc1 491279335 YEESHMUAVBRSQP-OAHLLOKOSA-N 299.757 3.915 30 20 CHED CCc1cc(C#N)c(NC(=O)/C=C\c2cnccc2C)s1 492419749 SELGLVUYBMUMSQ-PLNGDYQASA-N 297.383 3.538 30 20 CHED CCC[C@@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 497228178 KIWWKKGZYHIEAO-OAHLLOKOSA-N 272.392 3.578 30 20 CHED C=C(C)CN(CC)C(=O)CCOc1cc(C)cc(C)c1C 499880367 OVQPNJIJQSJMLG-UHFFFAOYSA-N 289.419 3.805 30 20 CHED C=CCC[C@H](NC(=O)N1CC[C@](C)(F)C1)c1ccccc1 501093514 KHVHXFNBQBDFHG-RDJZCZTQSA-N 290.382 3.837 30 20 CHED C=CCCN(C)Cc1cccc(C(=O)OC(C)(C)C)c1 501873100 NKDITCMRALGIJO-UHFFFAOYSA-N 275.392 3.650 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCc2ccccc2OC1 510949758 XEOGMTOONSAWGU-SQWLQELKSA-N 259.393 3.571 30 20 CHED CN(c1ncc(C#N)cc1Cl)[C@H]1CCc2ccccc2C1 511652783 HQVNIHLJRIRDOO-HNNXBMFYSA-N 297.789 3.600 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H]2CC[C@H](F)C2)CCCC1(C)C 512782963 HTKVBORYQQGBRX-MJBXVCDLSA-N 282.403 3.653 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2oc(CO)cc2c1 516858697 VVIZUDFLUXFSHM-UHFFFAOYSA-N 285.343 3.632 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCc2ccccc2C1 516870601 IGFMQRGCLMKDSO-QGZVFWFLSA-N 298.430 3.722 30 20 CHED C=CCOCC(=O)Nc1cccc(-c2ccccc2OC)c1 520345173 FKRRYFATNFPLMT-UHFFFAOYSA-N 297.354 3.503 30 20 CHED C=CC[C@@H](C)NC(=O)CC12CC3CC(CC(C3)C1)C2 524205767 IWRWEWDHMZTPMH-JISDDCRVSA-N 261.409 3.674 30 20 CHED C[C@H]1CCC[C@@H](C)N(Cc2ccc(C#N)cc2F)C1 525122485 HJCVALJTGHCWBG-QWHCGFSZSA-N 260.356 3.708 30 20 CHED CCc1ccccc1-c1noc(C(C#N)(CC)CC)n1 528095587 YQRWVQIMWCSQBD-UHFFFAOYSA-N 269.348 3.880 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@H](Cc2ccccc2)C1 528443788 LCEHOAUXUQUNAT-QGZVFWFLSA-N 298.430 3.798 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(-c2ncco2)cc1C 529412339 ISSGLHFOIOJNTB-UHFFFAOYSA-N 297.358 3.919 30 20 CHED CC1CC(C#N)(C(=O)Nc2ncc(-c3ccccc3)s2)C1 532067760 KFCYPXZERSCUSC-UHFFFAOYSA-N 297.383 3.688 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 537202019 ZPGRHIJDARIXAL-ZSHCYNCHSA-N 281.440 3.690 30 20 CHED CC(C)(C)CN1CC=C(c2ccc(C#N)cc2)CC1 537721931 SFANVIMSAOWOHH-UHFFFAOYSA-N 254.377 3.693 30 20 CHED CC[C@@]1(C)CCN(c2ccc3cc(C#N)ccc3n2)C1 537873029 MKDGGPCQTIYCND-KRWDZBQOSA-N 265.360 3.733 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)cc1 538282876 IJABGNFKSLKDRZ-LLVKDONJSA-N 250.317 3.692 30 20 CHED C=CCCN[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 540365062 FFUCJERYZDGYMQ-AWEZNQCLSA-N 277.408 3.957 30 20 CHED C[C@@H](CCc1ccccc1)CN(CCC#N)CC1CC1 540497086 ISRDWMUVUXPUDW-INIZCTEOSA-N 270.420 3.881 30 20 CHED CC(C)(C)[C@@H](NCc1ccc(C#N)cc1F)C(F)(F)F 543704071 GWOKBZASCVFDOL-GFCCVEGCSA-N 288.288 3.764 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)N1CCC(CC#N)CC1 543773085 IEGOPJIAYBTVFB-CQSZACIVSA-N 279.428 3.536 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCC[C@H](SCC)C1 544055245 IFASYGJRUDWMTQ-MJBXVCDLSA-N 284.469 3.705 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cccc2c(OC)ccnc12 546632083 XYMPUUPQUCDDRK-LBPRGKRZSA-N 284.359 3.784 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(COc2ccc(C#N)cc2)n1 547105753 SFWOTLNSYDZPBH-DOMZBBRYSA-N 297.358 3.814 30 20 CHED COc1nc2ccccc2cc1CNc1ccc(C#N)cc1 547325224 QEIULJVBBUVTML-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CC(C)(C)CCCNC(=O)c1ccc(C#N)c(Cl)c1 548632413 LOJQOYYOEAMWCX-UHFFFAOYSA-N 278.783 3.768 30 20 CHED Cc1ccc(Cl)cc1C(=O)N1CCc2ccc(C#N)cc21 550520171 KMRLDGKRTXEXSH-UHFFFAOYSA-N 296.757 3.723 30 20 CHED N#Cc1cc(N2CCC(=Cc3cccc(F)c3)CC2)ccn1 553297602 DZIXTETVSLRISW-UHFFFAOYSA-N 293.345 3.776 30 20 CHED N#Cc1cc(N2CCC[C@@H]2Cc2ccccc2Cl)ccn1 553329264 AEDDHLPIQSMOKW-OAHLLOKOSA-N 297.789 3.818 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 555249619 ULSMCZNZETYWIB-CABCVRRESA-N 290.455 3.535 30 20 CHED N#CCC[C@@H](NC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 556748886 ZZPMKAHIOMOBAN-YYIAUSFCSA-N 297.402 3.519 30 20 CHED CC(C)C1(C)CCN(c2nccc(C#N)c2Cl)CC1 557659705 DNHGIZXWZQFTIQ-UHFFFAOYSA-N 277.799 3.869 30 20 CHED N#CCC[C@H](N[C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 558699113 ZKTWNBGUWOZTRA-YVSFHVDLSA-N 254.377 3.810 30 20 CHED C=CCCCCN1CCC(CCC(=O)N(CC)CC)CC1 560239294 KDTQMIZEMFEJTK-UHFFFAOYSA-N 294.483 3.703 30 20 CHED Cc1cc(NCc2ccc([C@@H]3C[C@H]3C)o2)cc(C#N)n1 561127236 KSBHVMKQSPWMAS-MEBBXXQBSA-N 267.332 3.590 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC[C@H]2c2ccccc2)nc1 562047148 GYZSQXSRQNRQJM-RBUKOAKNSA-N 291.398 3.769 30 20 CHED Cc1cc2cc(NC(=O)[C@@]3(C#N)CC34CCCC4)ccc2[nH]1 562635891 HUHXKUWOADHGMW-SFHVURJKSA-N 293.370 3.889 30 20 CHED CC1=C(C)C[C@H](C(=O)N(C)c2ccccc2C#N)CC1 563167977 ZLNXAEQNDYXTBJ-CQSZACIVSA-N 268.360 3.658 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1oc2ccccc2c1CC 563721323 DJNOYEHKFVFVDC-ZIAGYGMSSA-N 287.403 3.830 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1(C(F)F)CCCC1 564141297 ZQIKREMHDRCKHX-UHFFFAOYSA-N 278.302 3.631 30 20 CHED C=CCN1CCC(NCCC2CCCCCC2)CC1 564296813 DMEMQGZYJKDRFW-UHFFFAOYSA-N 264.457 3.587 30 20 CHED C=CCC[C@H](CO)N[C@@H]1CCCc2ccc(SC)cc21 564972624 LCEMHFGJPXXWGV-RHSMWYFYSA-N 291.460 3.703 30 20 CHED CC(C)CC1(C)CCN(C(=O)c2sccc2C#N)CC1 570442287 IDKVRJSKJDCBKL-UHFFFAOYSA-N 290.432 3.908 30 20 CHED N#Cc1ncccc1NC[C@H]1CCCC[C@H]1C(F)(F)F 570740455 CVGWSCLKNCFCRL-GHMZBOCLSA-N 283.297 3.734 30 20 CHED CCN(Cc1ccccc1C)c1cc(C)nc(C#N)c1 572689893 SJBBIAFVSSPBFW-UHFFFAOYSA-N 265.360 3.597 30 20 CHED N#CCCCCCC(=O)NC1(c2ccccc2)CCC1 588334875 VTUFFEOYTKXUTN-UHFFFAOYSA-N 270.376 3.656 30 20 CHED Cc1ccccc1-c1noc(CSCC2(C#N)CCC2)n1 591379634 ABCFGRQXWMAUNW-UHFFFAOYSA-N 299.399 3.972 30 20 CHED CCOc1ccc(CSc2ccc(C#N)c(C)c2)nc1 592355500 JSQOOSQDZZUSHZ-UHFFFAOYSA-N 284.384 3.953 30 20 CHED CCN(CCC#N)c1ccc(-c2ccc(Cl)s2)nn1 593464274 BAJYZZDVIVRENV-UHFFFAOYSA-N 292.795 3.598 30 20 CHED C=C1CCN(C(=O)c2ccc(CC(C)C)cc2)CC1 594860105 PHLLQNYYIVLXCY-UHFFFAOYSA-N 257.377 3.677 30 20 CHED COc1ccc([C@H](C)CSc2cc(C#N)ccn2)cc1 594886499 UTFRBOHHIIVEOH-GFCCVEGCSA-N 284.384 3.858 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1cccs1 595055833 KBWPNUSYJVFZNS-XOKHGSTOSA-N 296.439 3.944 30 20 CHED Cc1cccc(C)c1OCCCN1CCC[C@H](CC#N)C1 595617334 YLPUXHBNFNTQRB-QGZVFWFLSA-N 286.419 3.698 30 20 CHED CC(C)[C@@H]1CCCCN1c1nc(C#N)c(Cl)s1 596130760 FWCJQSNTWRMIPL-JTQLQIEISA-N 269.801 3.683 30 20 CHED Cc1ccc2ccnc(N3CCC[C@@H](CC#N)C3)c2c1 596325419 KSSMHRUXEQCDDH-AWEZNQCLSA-N 265.360 3.673 30 20 CHED COc1cccc2c(N3CCC[C@H](CC#N)C3)c(C)cnc12 596330151 PKMPQADGTPJFBT-CQSZACIVSA-N 295.386 3.682 30 20 CHED CCOC1CCC(Nc2cccc(CC#N)c2)CC1 597148558 UZEUUWKUADUTAH-UHFFFAOYSA-N 258.365 3.512 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C2CCC3(CC2)CC3)C1 597257883 JFWIVCJCMGPARB-DYVFJYSZSA-N 274.408 3.545 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)N1CCC[C@@H](CC#N)C1 597908252 PMOKWBQVOQCXAF-GJZGRUSLSA-N 276.424 3.745 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc(O)ccc1Cl 599298574 WJTYNYUFIGHJCA-UHFFFAOYSA-N 280.799 3.807 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 599621166 DBRCBAHUVSXYRV-ZIAGYGMSSA-N 272.392 3.625 30 20 CHED C=CCN(CCC#N)CCc1cccc(C(F)(F)F)c1 600162072 PTAHUDWXMIEJHH-UHFFFAOYSA-N 282.309 3.650 30 20 CHED N#C[C@H](Sc1cccc(Br)c1)C1CC1 601076896 STNZEHJTDFDUCV-NSHDSACASA-N 268.179 3.843 30 20 CHED C[C@@H]1C[C@H](Sc2ccc(Cl)cc2C#N)CCO1 601910926 CMVSAVHZZDTLPR-BXKDBHETSA-N 267.781 3.871 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 602283235 VGEYYGYYVKXNRK-GVDBMIGSSA-N 296.414 3.551 30 20 CHED CC1(C)CN(Cc2cccc(C#N)n2)[C@H]1c1ccccc1 602447773 FYTNWNXCFGXFGX-KRWDZBQOSA-N 277.371 3.536 30 20 CHED Cc1ccccc1N[C@H](C)CC1(C#N)CCOCC1 602494277 NBZUDCIOYOIYCC-CQSZACIVSA-N 258.365 3.506 30 20 CHED C[C@H](CCC#N)CNCCc1ccccc1C(F)(F)F 602525440 HOLTXTGZHRCZRM-GFCCVEGCSA-N 284.325 3.777 30 20 CHED CC[C@@H](CNC[C@H](C)CCC#N)Oc1cccc(F)c1 602561123 CWMSYKBJNRTZGF-HIFRSBDPSA-N 278.371 3.513 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 602615262 XMLCSXXQZSSLQU-KBRIMQKVSA-N 290.382 3.575 30 20 CHED CN(Cc1ccccc1Cl)c1ncc(C#N)cc1Cl 608884945 RDWPMVMTUBYIAR-UHFFFAOYSA-N 292.169 3.896 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)cc1 609043105 XUTMJUOYSDUXFY-INIZCTEOSA-N 293.370 3.701 30 20 CHED Cc1ccc(CCCNCc2ccc(C#N)s2)c(C)c1 610511301 GRLNKBUNJMUSPZ-UHFFFAOYSA-N 284.428 3.959 30 20 CHED CCc1ccc([C@@H](C)NC(=O)Cc2cccc(C#N)c2)cc1 610519022 CBEXBSBBJRXRJF-CQSZACIVSA-N 292.382 3.541 30 20 CHED Cc1c(C#N)c(NC(=O)CC2CC2)n(-c2ccccc2)c1C 611467478 NXINIQUPYJGCSE-UHFFFAOYSA-N 293.370 3.704 30 20 CHED C[C@@]1(C#N)CCCN([C@@H]2CCc3c(Cl)cccc32)C1 612163098 OBTXORJSERBLSF-CVEARBPZSA-N 274.795 3.953 30 20 CHED C[C@H](CCC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612236599 MEHWNCAIVDMYRA-CRAIPNDOSA-N 284.403 3.723 30 20 CHED C[C@H](Nc1ccccc1C[S@@](C)=O)c1cccc(C#N)c1 613040910 GCOHERNCEKZKEA-YEJXKQKISA-N 298.411 3.610 30 20 CHED Cc1ccc(Cl)c2ccc(N3CC[C@](F)(C#N)C3)nc12 615531913 UMHIRRVGJGRCSD-HNNXBMFYSA-N 289.741 3.639 30 20 CHED C=CCC1(NC(=O)c2cccc(C(C)C)c2)CCOCC1 618251420 INHOYYOSCNPHGP-UHFFFAOYSA-N 287.403 3.665 30 20 CHED N#Cc1ccc(C(=O)N2CCCCc3sccc32)cc1 619557766 YOWPXTSDNMVVFV-UHFFFAOYSA-N 282.368 3.603 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@@]12CCc1ccccc12 620859097 WMQLKHMBOZZHMI-VQIMIIECSA-N 283.415 3.752 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1Cc2ccccc2S1 620863314 OISHMUMWFOVDKV-AWEZNQCLSA-N 275.417 3.564 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@](O)(C(F)(F)F)C1 658021637 UUXWZAPJKVAYRY-MQYQWHSLSA-N 291.357 3.557 30 20 CHED C=CCNC(=O)[C@@H](CCC)c1ccc(Cl)cc1 665112629 LHPFRGLTCKGPJA-ZDUSSCGKSA-N 251.757 3.526 30 20 CHED C=CCN(C(=O)c1c(C)noc1C(F)F)c1ccccc1 673698069 OJOCUAHGAGHJLA-UHFFFAOYSA-N 292.285 3.753 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(F)c(C#N)c1 728176152 JPZOQLWIXPHTCB-YGRLFVJLSA-N 291.395 3.562 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2ccc(C)cc2C)c1 728482335 DEVPDEXXTJCERJ-UHFFFAOYSA-N 291.394 3.880 30 20 CHED Cc1ccccc1/C=C\C(=O)c1c(C#N)c2n(c1C)CCC2 730086106 YAFNHBLQTVMKDV-KTKRTIGZSA-N 290.366 3.819 30 20 CHED C=CCN(C(=O)N[C@@H]1CCc2ccc(C)cc21)C(C)C 730131408 MDCIEUDQCSJUDE-MRXNPFEDSA-N 272.392 3.588 30 20 CHED CCc1ccc(C=NNc2nncc3ccccc23)s1 731149075 HTKLIWRZXOWIIZ-UHFFFAOYSA-N 282.372 3.700 30 20 CHED CCCCCCCCCc1nc(-c2cnn(C)c2)no1 731794622 LAWRLXLDTFDIRW-UHFFFAOYSA-N 276.384 3.763 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@@H]2CCc3ccccc32)c1 731937677 MQMBTVGEGTWXKK-HYTQYMIGSA-N 295.382 3.940 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H]1CCc2c(Cl)cccc21 732506818 LYPRKMZMUMESFN-ABAIWWIYSA-N 294.778 3.852 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](CC)Cc2ccccc2)c1 732737637 LRAPNMIGKGQPEE-SFHVURJKSA-N 291.394 3.900 30 20 CHED N#CCC[C@H](C#N)CNc1ccc(OC2CCCC2)cc1 732916553 OXHWWFYAKWKJFS-CQSZACIVSA-N 283.375 3.863 30 20 CHED CC(=NNc1nccnc1Cl)c1cc(C)cc(C)c1 733080687 WXBRYZKTJAFRBC-UHFFFAOYSA-N 274.755 3.583 30 20 CHED C#CCN(Cc1ncc(C(C)C)o1)[C@H]1CCc2ccccc21 733306811 HBSKLFMXQNRXQH-KRWDZBQOSA-N 294.398 3.921 30 20 CHED C#CCOc1cccc(NC(=O)Nc2cc(C)cc(C)c2)c1 733633694 UFGMURJSMHKYSJ-UHFFFAOYSA-N 294.354 3.959 30 20 CHED C#CCN(C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C)C1CCCCC1 733651136 HMHMBIIFJICCTQ-ZMSDIMECSA-N 290.451 3.789 30 20 CHED CCOc1cccc(C=NNc2cc(F)c(F)cc2F)c1 734301875 TURZAVQWACRAFU-UHFFFAOYSA-N 294.276 3.949 30 20 CHED Cc1nc(C)c(C=NNc2cccc(Cl)c2F)s1 736430942 OIUPGUHHIFVZDN-UHFFFAOYSA-N 283.759 3.998 30 20 CHED C=CCCCCCN(C)C(=O)CN(CC)c1ccccc1 739654295 LIZWLPLHWGLFLP-UHFFFAOYSA-N 288.435 3.718 30 20 CHED O=C(O)c1ccccc1-c1ccc(C=NNC2CCCC2)o1 740243603 ZFYIQIDUSWDERG-UHFFFAOYSA-N 298.342 3.511 30 20 CHED CCCCCCCCN(CC(C)(C)O)C1CCOCC1 746463509 UKIWXIOMNLRCDV-UHFFFAOYSA-N 285.472 3.599 30 20 CHED CCOc1ccc(/C=N\CCCOC2CCCC2)c(O)c1 747033723 UHWUTFNKNNOGLZ-AQTBWJFISA-N 291.391 3.559 30 20 CHED COCc1ccc(C=NNc2cc(F)c(F)c(F)c2)cc1 747641623 AQJUCQRWFVTHLQ-UHFFFAOYSA-N 294.276 3.696 30 20 CHED CC#CCOC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 752579743 MDTIYQNFTYXMIO-CYBMUJFWSA-N 284.277 3.766 30 20 CHED CC1(C)CCC[C@@H](C=NNc2cncc(Cl)n2)C1 752724255 WXVLGOUHAMHVTQ-SNVBAGLBSA-N 266.776 3.744 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C1/CC[C@H](C)C1 753611063 QDGCGBHXYCWDAT-UZFBZYOGSA-N 285.387 3.614 30 20 CHED Cc1ccccc1COC(=O)c1ccc(Cl)c(C#N)c1 754466527 WNJPJHRUFLXLJR-UHFFFAOYSA-N 285.730 3.877 30 20 CHED N#Cc1ccccc1C=NNc1ncc(Cl)cc1Cl 755543364 YJLDDJBRWUYHSI-UHFFFAOYSA-N 291.141 3.706 30 20 CHED CCc1ccccc1NN=Cc1c(OC)cccc1OC 755642556 CQDVKRVRZCDVMB-UHFFFAOYSA-N 284.359 3.712 30 20 CHED COc1ccc(NN=C[C@H]2C[C@@H]2c2ccccc2)cc1 755800691 DYGZCEIVJBABIV-RHSMWYFYSA-N 266.344 3.897 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cccc(Cl)c1)OCC 756468152 AJMINLQRXLFIEX-AWEZNQCLSA-N 282.767 3.755 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)c1ccccc1 757579798 PNBDZUCNIPASGZ-RDTXWAMCSA-N 295.357 3.810 30 20 CHED C=CCN(Cc1cc(Cl)cc(Cl)c1O)C1CC1 757922615 CBJWKLPJCSUHPB-UHFFFAOYSA-N 272.175 3.849 30 20 CHED C#CCOc1ccc(CNc2ncc(C(C)C)s2)cc1 758457221 LBFJVSNXUYZTRI-UHFFFAOYSA-N 286.400 3.891 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)/C(C)=C/c1cccc(Cl)c1 758466722 NQWQGIHUOKWZBX-OXBCTQFSSA-N 290.794 3.751 30 20 CHED COc1cc2c(cc1/C=C\C(=O)c1cccc(C)c1)OCO2 758912811 YPKUVQYRQWJUBK-SREVYHEPSA-N 296.322 3.628 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)cnc1Cl 760264937 SVOILAMPFBPZMG-RQOWECAXSA-N 299.757 3.874 30 20 CHED C=CCCC(=O)COC(=O)c1cc2ccc(Cl)cc2[nH]1 761386719 VXRAHMVLIHEJMK-UHFFFAOYSA-N 291.734 3.513 30 20 CHED C#CCCCCCc1nc(-c2ccc(OC)c(C)c2)no1 761928402 CCYRHMGMUMDKTJ-UHFFFAOYSA-N 284.359 3.790 30 20 CHED CCS[C@@H](C)c1noc(Cc2ccccc2CC#N)n1 762323181 HCTYIMKGOUXSLE-NSHDSACASA-N 287.388 3.541 30 20 CHED C=C(C)CNC(=S)N1CCCC[C@@H]1c1ccccc1 762445621 WYUILQQILDSFQF-OAHLLOKOSA-N 274.433 3.664 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccc(C#N)s1 762451911 ZTAKSFXGDYSCHH-UHFFFAOYSA-N 289.791 3.787 30 20 CHED CC#CC(=O)Nc1cc2oc3ccccc3c2cc1OC 763997887 UJMXCNAGDCZLLH-UHFFFAOYSA-N 279.295 3.556 30 20 CHED N#Cc1ccc(COC(=O)c2ccc(Cl)c(F)c2)cc1 765940250 WKXQDUPZJMEKTB-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1cc(CNc2ccc(N(C)C)cc2C)ccc1C#N 767681302 LWIBNBSUANVBRJ-UHFFFAOYSA-N 279.387 3.853 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccc([N+](=O)[O-])cc2)C1 768358776 YSDASFIITJKZRJ-NEPJUHHUSA-N 261.325 3.819 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cnc2ccccc2n1 768406322 IAXGDLZYRXDPMH-UHFFFAOYSA-N 297.358 3.507 30 20 CHED Cc1cccc(C(=O)Oc2ccc(C#N)cc2F)c1C 769737876 JLEMCKUIPGFILH-UHFFFAOYSA-N 269.275 3.533 30 20 CHED c1cc2c(c(NN=C3CCCOCC3)c1)CCCC2 770603470 XAFIRJKQSYVEET-UHFFFAOYSA-N 258.365 3.534 30 20 CHED C#CCOc1ccccc1OCc1ccn(C(CC)CC)n1 771183582 RXKFKZXABWGGOD-UHFFFAOYSA-N 298.386 3.835 30 20 CHED COc1cc(SC)ccc1N=Cc1cccc(O)c1O 772154363 IOHBFAOXCVZFMH-UHFFFAOYSA-N 289.356 3.579 30 20 CHED CCc1cnccc1[C@H](C)/N=C\c1c(O)cccc1OC 773152641 RTJJNXSUYFFWLI-XHEYCZLTSA-N 284.359 3.538 30 20 CHED CC[C@@](C)(NCCOc1ccccc1C#N)c1ccccc1 775395313 PCEBGTPRYGRNKH-LJQANCHMSA-N 294.398 3.852 30 20 CHED C#CC(C)(C)NC(=O)c1sc(C2CCCCC2)nc1C 775535780 BYFWLBJNHVGLAO-UHFFFAOYSA-N 290.432 3.641 30 20 CHED N#CCc1ccc(COC(=O)Cc2cccc(Cl)c2)cc1 776112938 CGVWHXREMQSXFA-UHFFFAOYSA-N 299.757 3.692 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1cccc(F)c1F 776268437 ODKSMERTDHDOKJ-GQCTYLIASA-N 278.229 3.706 30 20 CHED CC(=O)c1csc(C(=O)O[C@H](C#N)C2CCCCC2)c1 776388278 SUWLVSVNGKRVQW-CYBMUJFWSA-N 291.372 3.580 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccc(C#N)cc1C 776788308 NCXQXQFMJXICHF-UHFFFAOYSA-N 292.357 3.641 30 20 CHED C=C(C)CN(C)C(=S)Nc1ccccc1Cl 777917989 GZXSPBRQSBQPKZ-UHFFFAOYSA-N 254.786 3.545 30 20 CHED CC(C)Cc1ccc(CON=C2CCCOCC2)cc1 778601794 OHGQOCUYQBDGLS-UHFFFAOYSA-N 275.392 3.958 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCn2ccnc2C1 779194650 WOSXOHHPRFUNBA-LSDHHAIUSA-N 263.429 3.537 30 20 CHED C#CCCOc1ccc(CNC(C)(C)CC(F)(F)F)cc1 780587513 OLFHWJDBEPXPPX-UHFFFAOYSA-N 299.336 3.909 30 20 CHED Fc1cc(NN=Cc2ccccc2OC2CCCC2)ccn1 781128349 VFFRCQMLLOROBO-UHFFFAOYSA-N 299.349 3.988 30 20 CHED CC(C)c1ccc2cc(C(=O)NCC(C)(C)C#N)[nH]c2c1 782099464 UAVLGTRLPJHGCX-UHFFFAOYSA-N 283.375 3.571 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc(F)c(C#N)c1Cl 782298853 CXKMDLBTJICVIG-ZDUSSCGKSA-N 293.773 3.853 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1sccc1O 782352831 VTPONJDJOPCNMW-ARJAWSKDSA-N 277.370 3.684 30 20 CHED C[C@@H](OC(=O)C1=CCCCC1)c1cccc(C#N)c1 783085333 HUBHMRWYDQKTTG-GFCCVEGCSA-N 255.317 3.663 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1cc2c(s1)CCCC2 783292902 DBRSMGLIBVSTBR-LBPRGKRZSA-N 297.427 3.744 30 20 CHED CCOc1cccc(/C=N/C[C@H](SC)C(C)(C)C)c1O 783682553 XKXKJEHCSWFQPC-FBJMNJBLSA-N 295.448 3.988 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(C#N)c(Cl)c1 784824490 HUONRTMQXSVKAL-UHFFFAOYSA-N 290.750 3.698 30 20 CHED C[C@H](CC(=O)O[C@H](C#N)C1CC1)c1c[nH]c2ccccc12 786434815 BNPAKXCCAAYMPL-BDJLRTHQSA-N 282.343 3.507 30 20 CHED C#CCC1(C(=O)N(C)C2Cc3ccccc3C2)CCCCC1 788433609 RDYAWSHHXJYQLS-UHFFFAOYSA-N 295.426 3.586 30 20 CHED FC(F)(F)C1CCC(C=NNCCc2ccncc2)CC1 789093855 JUNFJADOMJZHFC-UHFFFAOYSA-N 299.340 3.568 30 20 CHED CC[C@H](C)NN=C(C)c1ccc2cc(O)ccc2c1 790183664 UPOLZPGOFQIFFU-NSHDSACASA-N 256.349 3.658 30 20 CHED O=C(/C=C/c1cccc2ccccc12)c1ccnc(O)c1 791433140 QIHPHBBZSZWDPN-CMDGGOBGSA-N 275.307 3.837 30 20 CHED CCc1cnccc1C(C)=NNCC1(C)CCCC1 793083692 FPUYSLDBRPCMSW-UHFFFAOYSA-N 259.397 3.538 30 20 CHED C[C@@H](NN=Cc1cccc(OC(F)F)c1)C(C)(C)C 793118015 ZBJVUHYZIZRYAQ-SNVBAGLBSA-N 270.323 3.646 30 20 CHED CC[C@H](C)CON=Cc1ccc(N2CCCCC2)o1 793144152 BYNXGSWJLOTWKD-ZDUSSCGKSA-N 264.369 3.667 30 20 CHED CC(=NNc1cccc(Cl)n1)c1cccc(C)c1 793161231 JCETZHQPMDXZSE-UHFFFAOYSA-N 259.740 3.880 30 20 CHED CC1(C)CC(=NNc2ncncc2F)CC(C)(C)C1 793211390 VZPBVSWAKSPWNS-UHFFFAOYSA-N 264.348 3.620 30 20 CHED CC(CCc1cccc(C)c1)=NNc1ncccc1F 794994541 XALHRHPZZNEMQN-UHFFFAOYSA-N 271.339 3.950 30 20 CHED CC(=NOC1CCCC1)c1ccnn1-c1ccccc1 799111337 HGFHHWFCOZBVIM-UHFFFAOYSA-N 269.348 3.556 30 20 CHED C[C@@H](C#N)OCCN1CCC[C@@H]1c1cccc2ccccc12 801916220 ROKNNIICKWJOTC-HNAYVOBHSA-N 294.398 3.905 30 20 CHED C[C@@H](C#N)OCCS[C@@H](C)c1ccc(F)cc1F 802749791 NKPHCKSNAUPUCM-UWVGGRQHSA-N 271.332 3.688 30 20 CHED C=CCCCCCCNC(=O)[C@H](C)c1ccc(C)o1 805218559 DNCDPDPOLACUKE-CQSZACIVSA-N 263.381 3.944 30 20 CHED Cc1ccc(C(=O)N2Cc3cccc(Cl)c3C2)cc1C#N 805270566 BYCRNYHDJPLRDJ-UHFFFAOYSA-N 296.757 3.676 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(F)cc1OC(C)(C)C 806377558 NTWKFVQFGZQEDL-LBPRGKRZSA-N 292.354 3.536 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)CCCCCC#N 807554598 XLFYWEGXQIVRMA-UHFFFAOYSA-N 270.376 3.748 30 20 CHED C#CCCc1noc(CCC[C@@H](C)c2cccc(OC)c2)n1 809397977 LVPVTMNCMNAHES-CQSZACIVSA-N 298.386 3.770 30 20 CHED C#Cc1ccc(CNc2c[nH]nc2-c2ccccc2)cc1 809639749 PAYQRJSVJLJOFS-UHFFFAOYSA-N 273.339 3.670 30 20 CHED CC(C)Cc1ccc(COC(=O)c2cccc(C#N)n2)cc1 811252074 KQLQDUMWQRRBGU-UHFFFAOYSA-N 294.354 3.509 30 20 CHED C=CCCCCCCCNC(=O)c1cn(C)nc1C(F)F 811590163 RHFWAKMBDHTMJC-UHFFFAOYSA-N 299.365 3.614 30 20 CHED FC(F)(F)CCNN=Cc1ncc(-c2ccccc2)s1 811648550 UJZTWAGNTKLEBK-UHFFFAOYSA-N 299.321 3.686 30 20 CHED C[C@H]1CC(=NOC/C=C/Cl)c2c(O)ccc(F)c21 811670147 YKQZOPBIZQTOOQ-VIQOGCGZSA-N 269.703 3.512 30 20 CHED Fc1ccc(C=NOC/C=C/Cl)c(Br)c1 811671662 JKTIKTMNJDHOLS-UOZKWQDASA-N 292.535 3.691 30 20 CHED C#CCON=CC(c1ccc(F)cc1)c1ccc(F)cc1 812234026 MEMINPFHHAYNLE-UHFFFAOYSA-N 285.293 3.732 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)[C@@H]1C1CC1 812268878 MCOOQOSHUKKEKJ-HNNXBMFYSA-N 251.414 3.994 30 20 CHED CCCCCCCc1nc(-c2ccc3nn[nH]c3c2)no1 813339691 WJTUUUCVHBMNRC-UHFFFAOYSA-N 285.351 3.521 30 20 CHED C[C@H]1CCC(=NNc2ccc(C(F)(F)F)cn2)C1 814709993 KEBNEYOQSJSKBV-QMMMGPOBSA-N 257.259 3.688 30 20 CHED C[C@H](Nc1nccc(C(C)(C)C)n1)c1cccc(C#N)c1 814856564 NLDMXIWVXWKMBC-LBPRGKRZSA-N 280.375 3.819 30 20 CHED Oc1ccc(C2CCC(=NOCC(F)(F)F)CC2)cc1 814880015 OHOYUGVFPRHCHM-UHFFFAOYSA-N 287.281 3.985 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 815314006 CEFRFRUQMCPSRF-VIFPVBQESA-N 287.306 3.788 30 20 CHED C=C(C)CCOC(=O)c1ccc(OC(F)F)c(F)c1 815483725 OQMJMRXTSIUBOO-UHFFFAOYSA-N 274.238 3.550 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)C(C)(F)F 815899910 HMMRCPFTPHTARR-PWSUYJOCSA-N 288.297 3.702 30 20 CHED CCCCCCCC[S@@](=O)Cc1nc(C(F)F)no1 819121999 QLHFURIMXKCGQX-LJQANCHMSA-N 294.367 3.616 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1c(C)nn(C(C)C)c1C 819815228 OBSRQHHJACJYQZ-GFCCVEGCSA-N 299.422 3.551 30 20 CHED C[C@@H](NN=C1CCCc2cc(F)ccc21)c1ccncc1 819816794 PATVVSWSOKMSLR-GFCCVEGCSA-N 283.350 3.612 30 20 CHED C=CC[C@H](OC(=O)C[C@@H](C)n1cccn1)c1ccccc1 820685191 FGUMVFWCJYGTBP-ZBFHGGJFSA-N 284.359 3.695 30 20 CHED C#CCOc1cccc(NC(=O)N2CCC[C@@H](CC=C)C2)c1 820983631 UWVQOVOGTNVQBH-OAHLLOKOSA-N 298.386 3.519 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cnn(C(C)(C)C)c1 821443928 DZTWLWJLAPKKCQ-UHFFFAOYSA-N 278.400 3.504 30 20 CHED CC[C@@H](C)[C@H](C=NNc1nc2ccccc2s1)OC 834914203 MRCVYAUTKVQNKQ-PWSUYJOCSA-N 277.393 3.755 30 20 CHED CSc1ccc(NN=C2CC[C@H](CC(=O)O)[C@@H]2C)cc1 834998433 HDBHQVKADKYYNS-WDEREUQCSA-N 292.404 3.697 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 836818400 GKRKDEIPRYSHPG-UHFFFAOYSA-N 298.386 3.724 30 20 CHED CC(C)(C)C#CC(=O)N[C@H](C1CCCCC1)C(F)(F)F 837458178 CUTFEDZHDDLMQR-CYBMUJFWSA-N 289.341 3.663 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C(C)(C)C1CCC1 839320977 FPJXSULZVTZPDE-GFCCVEGCSA-N 286.375 3.742 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc2c(c1)CCO2 839383897 RDACCOHPFXTKRV-UHFFFAOYSA-N 266.344 3.766 30 20 CHED C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)C(C)(C)F)c2C#N 839389953 UXMZBCMPLZJPRH-BDAKNGLRSA-N 294.395 3.992 30 20 CHED N#CC1(CCOC(=O)/C=C/c2ccc(O)cc2)CCCCC1 840189677 PAGSMRVIGBHUPU-RMKNXTFCSA-N 299.370 3.813 30 20 CHED C/C(=C/C(=O)Nc1cc(C)c(N(C)C)cc1C#N)C(C)(C)C 841240608 XTGFJNFRXSQJLW-LCYFTJDESA-N 299.418 3.864 30 20 CHED C#C[C@@H](OC(=O)CC1CC1)c1cccc(C(F)(F)F)c1 842408822 JUSCUOOQASKDIV-CYBMUJFWSA-N 282.261 3.723 30 20 CHED CCC[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccccn1 851203802 FQSQANQPCQJSLJ-UONOGXRCSA-N 288.391 3.837 30 20 CHED C=C[C@H](OC(=O)CCC(=O)OC(C)(C)C)c1ccccc1 851451476 IIYDJYQVOSCLFP-AWEZNQCLSA-N 290.359 3.579 30 20 CHED C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc2ccccc12 852099014 BFWWYYVNJPJBPD-KUHUBIRLSA-N 294.398 3.558 30 20 CHED CCCCCCCNC(=O)N1CCC(F)(F)C[C@@H]1C 858114938 XSZNFPCKWGXFFP-LBPRGKRZSA-N 276.371 3.786 30 20 CHED Cc1cccc(C)c1/C=C1\CCc2scnc2C1=O 863196328 FTTFLJPUOOBAKB-XYOKQWHBSA-N 269.369 3.972 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C/c2csnn2)cc1 863197482 RTDLUDVLUPIHRY-ANYFNZRUSA-N 272.373 3.948 30 20 CHED CCCC[C@@H](CC)C(=O)OCc1ccc(C#N)cc1 866482744 SCGNNNMXTXTLDI-OAHLLOKOSA-N 259.349 3.818 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(SC(F)(F)F)o1 870310152 UOKGTKSSWPUARI-ZETCQYMHSA-N 293.266 3.741 30 20 CHED C(=NOC1CCCC1)C1([C@H]2CCCCO2)CCC1 872362242 JMLOTCWJONCYSW-CQSZACIVSA-N 251.370 3.671 30 20 CHED CCC[C@H](CC)C(=O)[C@H](C#N)c1nc2ccccc2n1C 873495286 IEWFPDNBUUQCLV-STQMWFEESA-N 283.375 3.576 30 20 CHED N#CC1CCN(Cc2cc(Cl)cc(Cl)c2F)CC1 878016600 OPLPDKASYYDYBR-UHFFFAOYSA-N 287.165 3.868 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1cccc(C(F)F)c1 878541012 IPOSYTVCDMWRMZ-CQSZACIVSA-N 266.291 3.548 30 20 CHED C#CCCCNC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 879001715 GFIURCVFBMEIPC-UHFFFAOYSA-N 297.320 3.513 30 20 CHED C=CC(C)(C)CC(=O)NCC[C@]1(C)CC1(Cl)Cl 880223835 RMXQSDQMKHZTFF-GFCCVEGCSA-N 278.223 3.679 30 20 CHED C=CC(C)(C)CC(=O)N[C@@](C)(CC)c1nc(C)cs1 889198730 ZFJUXIVSRNXNSZ-HNNXBMFYSA-N 280.437 3.795 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C/c1cnn(C2CCC2)c1 899353933 ABSZPNJKVJRMQF-VMPITWQZSA-N 284.334 3.952 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccnc(Cl)c1Cl 901335235 CWOQERRBNJEACX-SECBINFHSA-N 287.190 3.863 30 20 CHED CC(C)n1cncc1/C=C1/CCc2cc(F)ccc2C1=O 901481600 XBWISEZTOWLGEI-JYRVWZFOSA-N 284.334 3.816 30 20 CHED C#Cc1ccc(NCc2ccn(C(CC)CC)n2)cc1 901515949 GQBMWFQXBRIUBY-UHFFFAOYSA-N 267.376 3.838 30 20 CHED CCO[C@@H]1CCC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1 902826606 GFJCVJVZSHFOAG-KBRIMQKVSA-N 272.392 3.557 30 20 CHED Cc1cc(Cl)cc([C@@H](C)NCC(C)(C)C#N)c1O 903102297 VTMWXDMMVVATMP-SNVBAGLBSA-N 266.772 3.554 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2c[nH]c3ccccc23)no1 904684917 ZYJKCNVIMRQWGC-CYBMUJFWSA-N 282.347 3.574 30 20 CHED N#CCC[C@@H](C#N)CSc1nc2ccc(F)cc2s1 905981999 OITNIFPEAMUSIF-VIFPVBQESA-N 291.376 3.971 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1C)c1ccccn1 906088012 JKKLDCUWXRHWOW-UHFFFAOYSA-N 293.370 3.709 30 20 CHED CCOc1ccc(/C=N\[C@H](C)c2ccc(C#N)cc2)c(O)c1 915113177 QCKSIWKYVQLIAE-UAAGNOOKSA-N 294.354 3.843 30 20 CHED CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915351793 GLPRDFUJQNZXCD-KRWDZBQOSA-N 293.370 3.874 30 20 CHED CCCCCCCCC(=O)N(C[C@@H]1CCOC1)C1CC1 915629991 RTRGMUKLMCDPPJ-HNNXBMFYSA-N 281.440 3.765 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1ccc(F)c(Cl)c1 915939827 RMIZMXBWOPUQHF-UHFFFAOYSA-N 299.136 3.759 30 20 CHED Oc1ccc(C=NNc2cccc(C(F)(F)F)c2)cc1O 916260201 STAVGBFKPFDQQB-UHFFFAOYSA-N 296.248 3.563 30 20 CHED C(=NNc1ncnc2sccc12)C1CCCCC1 916368314 LNRIFPGPDWGZMX-UHFFFAOYSA-N 260.366 3.669 30 20 CHED CCC(=NNC(=S)Nc1ccccc1)c1cccs1 916588100 HPTMNAROMGSVHT-UHFFFAOYSA-N 289.429 3.849 30 20 CHED COc1ccc(C)cc1CNc1snc(Cl)c1C#N 917054526 OGGDWPDZFYXRLX-UHFFFAOYSA-N 293.779 3.597 30 20 CHED C=CCN(CC(=O)N[C@H](CCC)c1ccccc1)C(C)C 917068788 BTURSPQMLMYWNS-QGZVFWFLSA-N 288.435 3.540 30 20 CHED CCN(CC)c1ccc(C/N=C/c2cccc(O)c2O)cc1 917556902 RCBLEWVTNCRBHV-CPNJWEJPSA-N 298.386 3.563 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cnc(C)cn1 917871947 AVJONRNMZUPCDO-ZDUSSCGKSA-N 277.412 3.511 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)COc2c(F)cccc21 921266236 LLJVRDSUXCECQR-POHAHGRESA-N 290.240 3.763 30 20 CHED Cc1cc(CN[C@H](c2ccccn2)C2CC2)ccc1C#N 922584268 GDDHVSSLGVWHRD-SFHVURJKSA-N 277.371 3.503 30 20 CHED CCOCc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1 924639633 RMPDVKIONOFSGG-CQSZACIVSA-N 274.408 3.641 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1cc(-c2ccccc2)no1 925429786 IUYZRCICZYDVFE-STQMWFEESA-N 256.349 3.957 30 20 CHED C=CCC[C@@H](N[C@H](C)c1nonc1C)c1ccccc1 925581423 ZJWZVKREGHEIDT-IUODEOHRSA-N 271.364 3.736 30 20 CHED CS[C@H](CNC(=O)Nc1sccc1C#N)C(C)(C)C 931836792 ATUCROTUTJAGTR-SNVBAGLBSA-N 297.449 3.519 30 20 CHED CC(C)C1CCC(NC(=O)CC#Cc2ccccc2)CC1 1116281240 DMTYMOVSXDUXGJ-UHFFFAOYSA-N 283.415 3.759 30 20 CHED C=C(C)Cn1c(N2CCCC[C@H]2CC)nnc1C(C)(F)F 1122430708 WDIGBLQYXPXFMC-GFCCVEGCSA-N 298.381 3.735 30 20 CHED N#Cc1cc(F)ccc1Cn1cnc(-c2ccccc2)c1 1166823827 YFUCBRHQVJIHFB-UHFFFAOYSA-N 277.302 3.609 30 20 CHED CC1(C)CCC[C@H](Nc2c(C#N)cccc2C#N)C1 1186145020 YVMCGVDCIPUNJQ-AWEZNQCLSA-N 253.349 3.811 30 20 CHED CC(C)Oc1ccc(C(=O)COc2ccccc2C#N)cc1 1188317731 VAYZJVQXJYWANS-UHFFFAOYSA-N 295.338 3.607 30 20 CHED CCc1ccccc1CNC(=O)Nc1cc(C)cc(C#N)c1 1206298343 TYPMZIXQDAMULR-UHFFFAOYSA-N 293.370 3.751 30 20 CHED C[C@H]1CC(=NOC(C)(C)C)c2c(O)ccc(F)c21 1319685565 WRVYYQPGWMAMTQ-QMMMGPOBSA-N 251.301 3.558 30 20 CHED CC(C)CCC1CCN(c2cccc(CC#N)n2)CC1 1320655608 AMLQTRZVPGMKEB-UHFFFAOYSA-N 271.408 3.800 30 20 CHED Cc1ccc(-c2nnc(/C=C/c3ccccc3C#N)o2)o1 1324223865 VSYSJQHFFUXNCO-VQHVLOKHSA-N 277.283 3.680 30 20 CHED CCCCC[C@@H](C(=O)OCc1ccc(C#N)cn1)C(C)C 1324641851 PITUZWMQGJXHCY-MRXNPFEDSA-N 288.391 3.849 30 20 CHED C=CCC(F)(F)C(=O)NCc1cc(C2CC2)ccc1F 1325213447 UMSCYLRDDDFXDH-UHFFFAOYSA-N 283.293 3.531 30 20 CHED N#C[C@H](NC(=O)c1cccc(-c2ccoc2)c1)C1CCCC1 1333698024 MIASAWRFUARGGL-KRWDZBQOSA-N 294.354 3.759 30 20 CHED CCC[C@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 1336163380 MKJHUSODZCVTTF-IRXDYDNUSA-N 284.403 3.865 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1csc(C#N)c1 1337668981 YFOWXJZLWRKXTI-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C#CCCCCC(=O)Oc1ccc(C)c2c1C(=O)C[C@H]2C 1338358450 LGEWWEYGVUQRLH-CYBMUJFWSA-N 284.355 3.784 30 20 CHED C=CCn1c(C(F)F)nnc1N(C)[C@H](C)c1cccs1 1340687818 OSKLAVLUKDQYSY-SECBINFHSA-N 298.362 3.661 30 20 CHED C#CC(C)(C)NC(=O)c1ccc2c(c1)oc1ccccc12 1345411239 KNEKHKBWUOBWMZ-UHFFFAOYSA-N 277.323 3.728 30 20 CHED C[C@@H]1CC/C(=C/c2nnc(COc3ccccc3C#N)o2)C1 1349921566 FTBCJPSPNOLJKG-FNWMBBJUSA-N 295.342 3.724 30 20 CHED C#CC1CCN(C(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 1351035398 RPOZLWQZQBFWFZ-RBUKOAKNSA-N 295.426 3.517 30 20 CHED CCc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1C 1435588309 WHLWGJZTEXHSLB-UHFFFAOYSA-N 282.318 3.821 30 20 CHED Cc1cccc(CCC(=O)Nc2cc(C#N)ccc2F)c1 1436643075 LLWKFIFDCWSFRR-UHFFFAOYSA-N 282.318 3.577 30 20 CHED Cc1ccc(C)c([C@@H](C)Nc2cccc(C#N)n2)c1 1472746216 OVSPAJCFXPCFON-CYBMUJFWSA-N 251.333 3.743 30 20 CHED C=C(CNC(=O)NCC(C)(C)C1CCC1)c1ccccc1 1478655358 VWIFYGWRLSSFHV-UHFFFAOYSA-N 286.419 3.825 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H](c1ccccc1)C(F)(F)F 1535086578 IJARAVSEAQKSJK-LBPRGKRZSA-N 285.265 3.773 30 20 CHED CN(C(=O)CCCc1ccc(F)cc1)c1ccccc1C#N 1544539908 OQODKPXJCAGYHE-UHFFFAOYSA-N 296.345 3.683 30 20 CHED C=C(CC)C(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C 1548698546 VVSALWNBZHBTFV-HNNXBMFYSA-N 263.356 3.947 30 20 CHED C=CC1(CC(=O)N[C@H](CC(C)(C)C)C(=O)O)CCCCC1 1573350140 CRQZBPHVRAMKDG-CYBMUJFWSA-N 295.423 3.519 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c(C(=O)O)c2C)CCC1 1588764485 BOVFCXYYKGQCGZ-UHFFFAOYSA-N 291.322 3.517 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 1595801331 SPPWWOIRZNGXIS-DYVFJYSZSA-N 296.345 3.581 30 20 CHED Cc1cccnc1C(=O)Nc1cc2ccccc2cc1C#N 1597222298 VWIXSVQJDPARPT-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCCc1ccccc1NCCC(C)(C)C(=O)O 1602884904 VRKYJFCODFLKGF-UHFFFAOYSA-N 261.365 3.718 30 20 CHED CC[C@@H](NCc1ccc(F)cc1C#N)[C@@H]1CC1(C)C 1643481857 PROVRZDXEGJMDZ-LSDHHAIUSA-N 260.356 3.612 30 20 CHED C=C(Cl)CN(C)[C@@H](C)CSc1ccccc1 1643716332 YTGXYOMXZCQIOB-LBPRGKRZSA-N 255.814 3.852 30 20 CHED CC(C)(C)c1csc(CN2CCc3c(C#N)cccc32)n1 1646300187 ROVKQRJOIRAAAE-UHFFFAOYSA-N 297.427 3.875 30 20 CHED CCc1cccc(N(C)Cc2cccc(C#N)c2)c1 1658902718 UCFAISNNRQTUNR-UHFFFAOYSA-N 250.345 3.757 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H](C)C1 1659657276 FIUCKGREOSMRBN-JTNHKYCSSA-N 289.354 3.644 30 20 CHED N#Cc1ccsc1NC(=O)NCC1CCCCCC1 1663159695 PPFUYKVTPYPUDO-UHFFFAOYSA-N 277.393 3.712 30 20 CHED CCc1ccc(C(C)=NNc2ccc(CC(=O)O)cc2)cc1 1776083503 KHAXZCQPZNXTGP-UHFFFAOYSA-N 296.370 3.712 30 20 CHED CN(Cc1ccc2ccccc2c1)c1ncccc1C#N 18899346 MYKMPAPIPQVPJV-UHFFFAOYSA-N 273.339 3.743 30 20 CHED CCN(CCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 20261070 WGCANYONBGZTDO-UHFFFAOYSA-N 299.418 3.541 30 20 CHED CC(C)[C@@H](CNC(=O)C1(C#N)CCCC1)c1ccccc1 27629350 VVZDSWARJYLEIP-MRXNPFEDSA-N 284.403 3.626 30 20 CHED N#Cc1ccc(NC2CCCC2)c(Br)c1 37072079 GLRNCOGZMMYTLV-UHFFFAOYSA-N 265.154 3.675 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(C#N)cc2)o1 37505755 NKDKBCRESUVZGW-LRDDRELGSA-N 266.344 3.564 30 20 CHED CC[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 41336428 KGEPDSUTLZHIKH-MRXNPFEDSA-N 282.318 3.830 30 20 CHED Cc1cccc(NC(=O)C2(C#N)CCCCC2)c1C 44385074 UAFHWPYYOQLZRQ-UHFFFAOYSA-N 256.349 3.716 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cccc2cccnc12 46529109 GGPOGTNHZPTHKA-UHFFFAOYSA-N 287.366 3.738 30 20 CHED C[C@@H](OC(=O)c1sccc1C#N)c1ccccc1F 52222892 ALPAGZBDKSRVQU-SECBINFHSA-N 275.304 3.677 30 20 CHED CCCOc1ccc(OCCOc2ccccc2C#N)cc1 58831339 VSCHYAGPTUMGDV-UHFFFAOYSA-N 297.354 3.805 30 20 CHED CCCCCCCNc1cccc(C(=O)N(C)C)c1 59460365 VUUWVMOTIQCTJI-UHFFFAOYSA-N 262.397 3.771 30 20 CHED CC[C@@H](c1ccccc1)c1nnc(S[C@H](C)C#N)o1 67954117 NPOWTYIHXUPOEZ-PWSUYJOCSA-N 273.361 3.616 30 20 CHED C[C@@H](Cc1ccco1)Nc1nc(C(F)(F)F)ccc1C#N 78833691 NFCCRDVEVKDFST-VIFPVBQESA-N 295.264 3.608 30 20 CHED CCC1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1 80082232 KXUHMTNCJOVRGW-UHFFFAOYSA-N 299.418 3.668 30 20 CHED Cc1nc(C)c(CNc2ccc(C#N)c(Cl)c2)s1 88867468 KXSQKTIEGFSOFB-UHFFFAOYSA-N 277.780 3.897 30 20 CHED C=CCCc1csc(CCN(C)C(=O)OC(C)(C)C)n1 90065641 PMOZPEJSWRRFJI-UHFFFAOYSA-N 296.436 3.671 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCc2ccc(F)cc21 91231690 ZFHBICQTHCHRPW-INIZCTEOSA-N 290.382 3.811 30 20 CHED C=CCN(Cc1cccs1)Cc1ncccc1C 93157895 JAFWMLAZZPERBT-UHFFFAOYSA-N 258.390 3.640 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1ccc(O[C@@H](C)C#N)cc1 93444071 UPRAPOMURATILH-YJBOKZPZSA-N 286.419 3.988 30 20 CHED CC[C@H](CC(=O)N(C)Cc1cccc(C#N)c1)C(C)C 104241967 CEGCQFJUDQENTG-MRXNPFEDSA-N 272.392 3.589 30 20 CHED C=CCOc1ccccc1CNC(=O)CCc1ccccc1 110425794 KMNFAGHOUZNAOX-UHFFFAOYSA-N 295.382 3.500 30 20 CHED CCc1sc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1C 116812212 JGMLQOBJNAQMLM-MEDUHNTESA-N 290.432 3.821 30 20 CHED C=CCCCS[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 117944732 DGRXJNZAMSUXDG-CYBMUJFWSA-N 291.416 3.916 30 20 CHED C=CCN(C(=O)c1cccc(C)c1F)c1ccccc1 119881600 GYZJVHHEKAXYNN-UHFFFAOYSA-N 269.319 3.967 30 20 CHED CC(=O)c1cc(F)ccc1OCc1cc(F)ccc1C#N 121862998 VPUCCIAJCGFARV-UHFFFAOYSA-N 287.265 3.618 30 20 CHED CCOc1cccc2cc([C@H](C)N[C@H](C#N)CC)oc12 122199301 RAOWJPMJHXLKNK-AAEUAGOBSA-N 272.348 3.784 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(Br)cc1F 122241518 LHDTXQVLWZOVAR-SECBINFHSA-N 299.187 3.789 30 20 CHED C#CCCCCNC(=O)NC(C)(C)CCc1ccccc1 124352045 PWWDZESZZYIFTM-UHFFFAOYSA-N 286.419 3.501 30 20 CHED CCc1nnc(Nc2ccc(F)c(C)c2)c(C#N)c1CC 124962114 WYETXENESHLHJT-UHFFFAOYSA-N 284.338 3.664 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 126757138 VZXNYIHCVOGLSX-OAHLLOKOSA-N 285.391 3.848 30 20 CHED Cc1[nH]c2ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc2c1C 131205841 QOQRVXTXRBONAS-GFCCVEGCSA-N 284.359 3.880 30 20 CHED C=CCC[C@@H](NC(=O)C=C1CCC1)c1ccccc1 133956087 FAUSBVXOGCVMEC-MRXNPFEDSA-N 255.361 3.920 30 20 CHED COc1ccccc1CNc1ccc2cc(C#N)ccc2n1 149811399 ZSHPQUOYKGDCDR-UHFFFAOYSA-N 289.338 3.727 30 20 CHED Cc1ccc2oc(CNCc3cccc(C#N)c3)cc2c1 152057491 YCCAUNNKGPNBIL-UHFFFAOYSA-N 276.339 3.903 30 20 CHED C[C@H](CC#N)NC(=O)Nc1cccc(Oc2ccccc2)c1 158550507 NXMOBSAOJXZWCA-CYBMUJFWSA-N 295.342 3.903 30 20 CHED Cc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)oc1C 158751007 SBFDBRMKHICPQA-CYBMUJFWSA-N 288.734 3.545 30 20 CHED CCOc1cc(/C=C2/CCCC(C)(C)C2=O)ccc1O 158995029 ZVWKXSFUGJNLMP-RAXLEYEMSA-N 274.360 3.954 30 20 CHED N#Cc1ccc(SCC2CCOCC2)c(Cl)c1 163286180 UVIWAZZOIDRWMM-UHFFFAOYSA-N 267.781 3.730 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(Cl)c[nH]2)cc1 171029014 MGWNGBIWXHTXHB-UHFFFAOYSA-N 287.750 3.537 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(CC#N)c2)C1 171514538 UFHMBMMCPSIDOC-NVXWUHKLSA-N 284.403 3.697 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(C#N)cc2)C1 174309001 SRXDNJHVKNTKMR-STQMWFEESA-N 271.364 3.601 30 20 CHED CCS[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)s1 175872656 MAQOHWSXWGAEBG-UONOGXRCSA-N 280.462 3.774 30 20 CHED C=CCOc1ccccc1CNC(=O)C(C)=C1CCCC1 176634344 WSURFDGCMCOORC-UHFFFAOYSA-N 285.387 3.758 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1ccc(Cl)cc1 177873081 ILNRCNQPPMAJIW-SNVBAGLBSA-N 269.797 3.976 30 20 CHED C#CCCCN[C@@H](C)[C@H](C)c1nc2ccccc2s1 178057538 MIGMLHWKHZGVEY-STQMWFEESA-N 272.417 3.791 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2ncsc2c1 178386263 YDCGXADQOCJMSD-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC(C)CCN(C)C(=O)N[C@@H](CCC#N)c1ccccc1 178821988 LGQQVOGUXYCLJE-INIZCTEOSA-N 287.407 3.719 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCc3ccccc32)cc1 180545534 GSKOOXTYAWFBDM-AWEZNQCLSA-N 278.355 3.540 30 20 CHED COc1ccc(C#N)cc1CNc1cccc(C)c1F 182315777 KFECWPALFMXGNC-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2ccccc21 182762631 BWWUEQIHAQSIIO-CYBMUJFWSA-N 258.365 3.504 30 20 CHED CC[C@@H](CC#N)NC(=O)[C@H](C)Sc1ccccc1Cl 183935546 KIXSQLTVNNRULC-QWRGUYRKSA-N 296.823 3.629 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1cc2ccccc2o1 184920540 GJFDGKGFJIBWPF-ZDUSSCGKSA-N 269.344 3.804 30 20 CHED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CC#N 185036094 XGQAYZSYTFFQFO-CQSZACIVSA-N 294.354 3.987 30 20 CHED C/C=C/C=C/C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 185091145 HHLHGFLQVOPVTE-WJPDYIDTSA-N 298.430 3.830 30 20 CHED CCN(CC)Cc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 185785338 USVNPJLEWHBFIF-VQIMIIECSA-N 299.462 3.700 30 20 CHED C=C(C)COc1cccc(NC(=O)Nc2ccc(O)cc2)c1 186594111 VFXISXBXUAZVBQ-UHFFFAOYSA-N 298.342 3.991 30 20 CHED N#CC1(C(=O)Nc2ccsc2Cl)CCCCC1 186939886 HOTGBWANVSJFDL-UHFFFAOYSA-N 268.769 3.814 30 20 CHED CCOc1ccccc1C(=O)N(CCC#N)C(C)(C)CC 187511850 OMPPBYWLXXXHLL-UHFFFAOYSA-N 288.391 3.630 30 20 CHED C=CCC1(C(=O)Nc2cnc(-c3ccccc3)nc2)CCC1 188508321 AIUGJFQMFNOYFN-UHFFFAOYSA-N 293.370 3.829 30 20 CHED COc1ccc(Cl)c(CSCCCC#N)c1 191051174 BQFWFWZCFYMKFR-UHFFFAOYSA-N 255.770 3.886 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)NCc2ccsc2)cc1 193045071 AFRHJSKJBJKGTG-UHFFFAOYSA-N 299.399 3.871 30 20 CHED COc1cccc(CCNc2ccc(Cl)cc2C#N)c1 221703006 XBCUOBYZASMVSE-UHFFFAOYSA-N 286.762 3.875 30 20 CHED C#CCCCNC(Cc1ccccc1)Cc1ccccc1 224309612 MADBSCWQOIZKAJ-UHFFFAOYSA-N 277.411 3.843 30 20 CHED CS[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 227360033 XRPQDPLICSCXDZ-WCQYABFASA-N 291.376 3.553 30 20 CHED Cc1cccc([S@](=O)CCCCC(C)(C)C#N)c1 235811936 PWICJLFVQJRTJO-GOSISDBHSA-N 263.406 3.823 30 20 CHED C[C@@H]1CCCN(CCCCN[C@H](C)c2ccc(C#N)cc2)C1 245932339 SOUAXIIHEQHHFR-IAGOWNOFSA-N 299.462 3.721 30 20 CHED COc1cccc(/C=N\C[C@H](C)Oc2ccccc2C)c1O 255001637 XQCSKYJPBCRFOG-YQNUULROSA-N 299.370 3.596 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2C)cc1C#N 255029382 PEELWKAIHXEBNY-CLFYSBASSA-N 277.323 3.771 30 20 CHED O=C1/C(=C\c2cncs2)CSc2ccccc21 255372172 RSNDOIDTZBBTSD-UITAMQMPSA-N 259.355 3.515 30 20 CHED CC(C)Cc1ccc(C(=O)NC2(C#N)CCCCC2)cc1 261368689 IXBQAODLOJGNEK-UHFFFAOYSA-N 284.403 3.841 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)C2(C#N)CCCC2)c1 264342395 FBHWTARHJRXDQZ-AWEZNQCLSA-N 270.376 3.565 30 20 CHED Cc1ccc(CN(C)Cc2ccc(OCC#N)cc2)cc1 264590195 YRORQKMDRHYVMV-UHFFFAOYSA-N 280.371 3.529 30 20 CHED Fc1ccc(Br)cc1CON=C1CCC1 265472614 PYZGMXPKZLLHBC-UHFFFAOYSA-N 272.117 3.645 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(CC#N)cc1 271369885 MOJBUCZTEMLDNN-SWLSCSKDSA-N 271.364 3.547 30 20 CHED CC(C)C[C@@H]1C[C@@H](Nc2snc(Cl)c2C#N)CCO1 271915204 BRPIBAJBHMJBEL-VHSXEESVSA-N 299.827 3.674 30 20 CHED CCOCCC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CC1 271924195 FTSHTMBZBCERGU-CYBMUJFWSA-N 290.382 3.555 30 20 CHED CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccncc1 271928939 HFSMWRUQUFSBEM-SJCJKPOMSA-N 283.350 3.894 30 20 CHED Cc1ccc([C@H](C)Nc2nccc(C)c2C#N)cc1[N+](=O)[O-] 273344920 OHTXITFDKMPOSQ-LBPRGKRZSA-N 296.330 3.651 30 20 CHED N#CCSCc1nc(-c2ccc(C(F)(F)F)cc2)no1 273792559 XCGZWRSSMXOFME-UHFFFAOYSA-N 299.277 3.512 30 20 CHED CCC1(C(=O)Nc2cccc(OCC#N)c2)CCCCC1 273898021 DYZPYYUFFHJYQO-UHFFFAOYSA-N 286.375 3.888 30 20 CHED CC(C)Oc1ccc(CN(C)C[C@H](C)C#N)cc1Cl 275373636 LFUIWIBCSQGMPQ-GFCCVEGCSA-N 280.799 3.719 30 20 CHED CC(C)C(C)(C)C(=O)Nc1cccc(OCCCC#N)c1 275919640 PUGAQHQVDBFMAA-UHFFFAOYSA-N 288.391 3.990 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 276195416 XVSNBQBBGROKTA-CQSZACIVSA-N 290.407 3.752 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(Cl)s2)[C@@H]1C#N 277941742 OJXQRDGREHXYBK-SNVBAGLBSA-N 282.796 3.556 30 20 CHED C=CC[C@H](CC)Nc1ncnc2oc(C)c(C(C)=O)c12 281039496 PGJMAYQMGOJACM-NSHDSACASA-N 273.336 3.500 30 20 CHED C=CCC[C@H](NC(=O)C[C@@H]1CCC(=O)[C@H]1C)c1ccccc1 281104153 GZAHSSDAPWXHJZ-XIRDDKMYSA-N 299.414 3.815 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)c(Cl)c1 281850772 JNGPSYMYRCNYNI-SNVBAGLBSA-N 298.720 3.976 30 20 CHED CC[C@H](C#N)NC(=O)c1coc2ccc(C(C)C)cc12 286194231 RBDTWWNWMNTEMU-GFCCVEGCSA-N 270.332 3.588 30 20 CHED C=CCCCCCCNC(=O)c1cc2c(s1)CCOC2 286905664 FOIRBDCIKMVJCA-UHFFFAOYSA-N 293.432 3.687 30 20 CHED N#CCCCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 292006434 BCIOMTSRGINRDL-YOEHRIQHSA-N 290.382 3.577 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1cc(F)ccc1OC 292925728 DWPMZPFMMOWEQH-NSHDSACASA-N 279.355 3.614 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 294712328 ULTINHKEFFKAFW-LSDHHAIUSA-N 257.377 3.651 30 20 CHED CCN(CCC#N)Cc1ccc(Sc2ccccn2)o1 294801143 DIHWBKNRSOUFEE-UHFFFAOYSA-N 287.388 3.561 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)c1nc(C2CC2)no1 298855111 DTGGAYWUZBYGAG-ZDUSSCGKSA-N 283.375 3.696 30 20 CHED N#Cc1cccc(NCC2(c3ccc(F)cc3)CCC2)n1 301276629 MDDJHGVLZGIUPW-UHFFFAOYSA-N 281.334 3.626 30 20 CHED C[C@H]1c2ccccc2CCN1c1ccc([N+](=O)[O-])cc1C#N 301483958 GJGVTCZSALZCMP-LBPRGKRZSA-N 293.326 3.590 30 20 CHED CN(CCc1cccc2ccccc12)c1ccc(C#N)nc1 301517585 MAHOZRKZEQSNQQ-UHFFFAOYSA-N 287.366 3.785 30 20 CHED N#Cc1ccc(NC(=O)CC2CCCCC2)cc1F 307967497 SRBNCYBJARBSKQ-UHFFFAOYSA-N 260.312 3.606 30 20 CHED C=CCCCCCCNC(=O)c1ccc(Cl)o1 310398890 ILHSFETWAQAEEK-UHFFFAOYSA-N 255.745 3.799 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(C(C)=O)c1 312417709 OSUGZXIYSQEMDJ-UHFFFAOYSA-N 274.364 3.613 30 20 CHED C[C@@H]1CC[C@@H](/N=C(/O)Nc2cn(C)nc2-c2ccccc2)C1 328602068 GOGYDGXLJVEZTC-TZMCWYRMSA-N 298.390 3.602 30 20 CHED C[C@@H](CC(O)=Nc1nncn1C1CC1)C1CCCCC1 329093167 ALHXHJJMEZUXFJ-NSHDSACASA-N 276.384 3.808 30 20 CHED CC(C)CC(CC(C)C)N/C(O)=N/[C@@H]1CCO[C@H](C)C1 330606024 NEGXNXDKEJYZFA-ZIAGYGMSSA-N 284.444 3.518 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(CC#N)c1 332280714 RGEOYUOKQQXWHA-UNEWFSDZSA-N 297.402 3.938 30 20 CHED C[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1CCCCC1 333522342 HETULBCOUJUWEW-CXAGYDPISA-N 274.408 3.545 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)s1 334943814 ITRIULWODWAYRE-HNNXBMFYSA-N 272.348 3.536 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1 335953484 SEWJUUZMJGBBCQ-YJYMSZOUSA-N 292.382 3.992 30 20 CHED C[C@H](C(=O)N1CCC[C@@H]1c1ccco1)c1cccc(C#N)c1 336036563 SHDBMKWGWKYODM-XJKSGUPXSA-N 294.354 3.618 30 20 CHED CC(F)(F)c1ccccc1NC(=O)C1(C#N)CCCC1 336285044 XAMNEUNKSKTZMK-UHFFFAOYSA-N 278.302 3.821 30 20 CHED N#CCc1ccccc1NC(=O)c1sccc1Cl 336534152 UXOXMNSAVWZMLU-UHFFFAOYSA-N 276.748 3.720 30 20 CHED Cc1nc(COc2c(C)cc(C#N)cc2C)c(C)s1 337659658 APRVJFFGVVMHJG-UHFFFAOYSA-N 272.373 3.827 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(C#N)c1C 337949939 MJRDNXKXYIUUEZ-UHFFFAOYSA-N 270.376 3.685 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)CCCC1CCCC1)CC2 339828040 RPXLRNNBXPNAPA-UHFFFAOYSA-N 282.387 3.808 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 341448685 BWSXEVSUYCLUIH-SOUVJXGZSA-N 255.365 3.724 30 20 CHED C[C@@H](Nc1c(C#N)cccc1C#N)c1ccc(Cl)cn1 343230409 UURGRHYDINEXPS-SNVBAGLBSA-N 282.734 3.651 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(F)c1 346891111 FZLRQOBEILWXNK-UHFFFAOYSA-N 297.333 3.690 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(-c3ncco3)cc2)s1 346902486 XMWHPDIJPYASEE-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(Cl)cn1 348235340 ZILGNLVIXGAULR-NSHDSACASA-N 265.788 3.716 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(Oc2ccccn2)c1 353381878 ARQWDIKPSNOETM-KRWDZBQOSA-N 295.342 3.752 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2ccc3c(c2)CCC3)no1 354041893 GQWUGXMCOMAJNK-UHFFFAOYSA-N 291.310 3.665 30 20 CHED CN(Cc1ccc(C#N)cc1)c1nccc2ccc(F)cc12 354569579 QDHYHNFHHKGSEH-UHFFFAOYSA-N 291.329 3.882 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(CC#N)c2ccccc2)C1 356105372 VYINLGHWBXGQLJ-LSDHHAIUSA-N 270.376 3.760 30 20 CHED CCS[C@@H](C)c1noc(/C=C\c2ccc(C#N)cc2)n1 357327540 SWYAZTVTGCSVIC-IQQGHNRFSA-N 285.372 3.926 30 20 CHED N#Cc1cc(NCc2coc3ccccc23)ccc1[N+](=O)[O-] 361703924 BGDWOCCXDRZMDZ-UHFFFAOYSA-N 293.282 3.825 30 20 CHED CN1CCN(CCCCC(C)(C)C#N)C2(CCCCC2)C1 365434559 WCJYVUHGPYTGNB-UHFFFAOYSA-N 291.483 3.657 30 20 CHED C=CC(C)(C)CNCc1c(C)nn(-c2ccccc2)c1C 384858769 NPADGFXXEZSOGI-UHFFFAOYSA-N 283.419 3.791 30 20 CHED C=CCCCCNCc1ccc(Br)s1 389202034 DVUZIUBRKNDJMA-UHFFFAOYSA-N 274.227 3.957 30 20 CHED N#Cc1csc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 408414175 JOIPEBCCHGSHOC-HZSPNIEDSA-N 288.416 3.708 30 20 CHED CCN(CC)C[C@H]1CCN(CCC2(C#N)CCCCC2)C1 411303204 UYANXCPIFLYTEX-QGZVFWFLSA-N 291.483 3.514 30 20 CHED C[C@@H]1CCSCCN1CCC1(C#N)CCCCC1 411626181 MJRBYNVWJPQSPY-CQSZACIVSA-N 266.454 3.678 30 20 CHED N#CC1(CNCc2csc(-c3cccs3)n2)CCC1 418144318 SOXCFNCIQYYJLN-UHFFFAOYSA-N 289.429 3.655 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCC(C)(C)C1 425120509 ATXYHPZKPFADMI-CJNGLKHVSA-N 284.403 3.904 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C)CN(C)c2ccccc21 425522115 MAVSHQTWJQLCOL-AWEZNQCLSA-N 286.419 3.708 30 20 CHED CN(Cc1cccc2[nH]ccc12)CC(C)(C)CCC#N 426384304 GGEAWBXWZFOBEF-UHFFFAOYSA-N 269.392 3.930 30 20 CHED N#Cc1ncccc1N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 428363430 ZBKYWAAIXLEIGL-GOEBONIOSA-N 299.761 3.549 30 20 CHED CCc1ccc([C@H]2CCN(c3ccnc(C#N)c3)C2)cc1 431498632 AUQVXPLRQFLMAI-INIZCTEOSA-N 277.371 3.510 30 20 CHED CSc1cccc(C)c1NC(=O)NCC1(CC#N)CC1 432401635 NCHVPIGSVWRKOF-UHFFFAOYSA-N 289.404 3.532 30 20 CHED COc1cccc2c1CCCN2Cc1ccc(CC#N)cc1 433303161 ZVNLPEDCFWQLFK-UHFFFAOYSA-N 292.382 3.714 30 20 CHED CN(Cc1cc(F)cc(F)c1)c1ccc(C#N)cc1F 433788568 HLIHGLUPACAGAP-UHFFFAOYSA-N 276.261 3.612 30 20 CHED CC(C)CN(C(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc(C#N)cc1 433854325 OBSPGLBOLOKDBL-IAGOWNOFSA-N 282.387 3.593 30 20 CHED N#Cc1ccc(Sc2ncc(Cl)cc2[N+](=O)[O-])cc1 434956877 WKIJQJXOALTFCJ-UHFFFAOYSA-N 291.719 3.666 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C)ccc1OC 436303270 BFKQJGQHCYBFKI-RKVPGOIHSA-N 289.419 3.635 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 437755718 DZYYGFQYBBMFDP-NURSFMCSSA-N 296.773 3.599 30 20 CHED CC#CCCNC(=O)CC(C)(C)Cc1ccc(Cl)cc1 438278687 ZEBNSMBTWXBRSF-UHFFFAOYSA-N 291.822 3.828 30 20 CHED CC(C)N(C)c1ccccc1CNCC(C)(C)CCC#N 438348051 WGGIKUFEZRUXDH-UHFFFAOYSA-N 287.451 3.951 30 20 CHED CC#CCCN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 444701995 XLGFLIPRLVUQCU-CJNGLKHVSA-N 277.795 3.515 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H](C)CSC)CCCC1(C)C 445132386 ALTBAVLZRDYRBP-OLZOCXBDSA-N 284.469 3.514 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 448820934 DQVXVBNWBYAZDN-OIISXLGYSA-N 299.414 3.506 30 20 CHED C=CCCCC[C@@H](C)Nc1ccccc1SCC(N)=O 449047607 RLLLJZWIUQRSNQ-CYBMUJFWSA-N 292.448 3.811 30 20 CHED C=CCCCC[C@H](C)Nc1ccc2c(c1)N(C(N)=O)CC2 449287387 KEFABGMTSJYXTM-ZDUSSCGKSA-N 287.407 3.675 30 20 CHED COc1cc2ccccc2cc1CN(C)CC(C)(C)C#N 449340729 PZDYQQDGUFZTFK-UHFFFAOYSA-N 282.387 3.830 30 20 CHED Cc1ccc(C)c([C@@H]2CN(CC3(C#N)CCC3)[C@@H](C)CO2)c1 450442713 TVIMSDQAORPLAY-WMZOPIPTSA-N 298.430 3.759 30 20 CHED CC[C@H](C)Oc1ccc(-c2noc([C@]3(C#N)C[C@H]3C)n2)cc1 453105740 CINXFVFMVFITGM-PEBVRCNWSA-N 297.358 3.715 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc(CC)n2)n1 453192448 ZLTZTLBKALHYIP-UHFFFAOYSA-N 257.337 3.548 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2cc(C)ccc2F)no1 453278566 FMELAGXRILGMDX-LBPRGKRZSA-N 290.338 3.762 30 20 CHED C[C@@H](CCCc1cccnc1)NCc1ccc(C#N)c(F)c1 453367655 DNTZXEKXXKLQSZ-AWEZNQCLSA-N 297.377 3.593 30 20 CHED CC(C)CCCCC(=O)NC1(C#N)CCCCC1 457495133 APZVRNBVCYLBKH-UHFFFAOYSA-N 250.386 3.545 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC=C(c2ccccc2)C1 458810596 MVYMFSNGOKRJRZ-UHFFFAOYSA-N 284.403 3.698 30 20 CHED CC(C)(CC#N)CNCc1csc(Br)c1 459702491 VDHFFJZLMHEZLF-UHFFFAOYSA-N 287.226 3.540 30 20 CHED CCN(CC#Cc1ccc(OC(F)(F)F)cc1)CC1CC1 464591405 XOBOPIDJNLRZIR-UHFFFAOYSA-N 297.320 3.669 30 20 CHED CC(C)(C)c1ccc(CC(=O)N[C@@H](C#N)C(C)(C)C)cc1 464711272 OPGUIJSHELRTDR-HNNXBMFYSA-N 286.419 3.581 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(O[C@H](C)CC)c1 465156484 MDAZRXQBUUXYKF-VXGBXAGGSA-N 262.353 3.560 30 20 CHED C=CCCN(C)c1c(C#N)cnc2ccc(Cl)cc12 466397737 WTHMBLQDDLFSCE-UHFFFAOYSA-N 271.751 3.772 30 20 CHED CC#CCCCC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F 466660381 XLHCZXGRVVBTKO-OLZOCXBDSA-N 289.341 3.665 30 20 CHED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/c1ccc(C#N)cn1 468943590 KKXMKMAOUVMCRC-HUZLQASOSA-N 291.310 3.978 30 20 CHED C=CCCCCNC(=O)c1cccc(OCCC)c1 471686378 FNRVPOSISYOYOG-UHFFFAOYSA-N 261.365 3.562 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCC[C@@H]1C 476814122 KETBWMJMGQSPPI-SWLSCSKDSA-N 285.391 3.815 30 20 CHED C=CCCCCNC(=O)N1CC2(CCC2)c2ccccc21 479737284 CLHYIQWGCPIIAT-UHFFFAOYSA-N 284.403 3.994 30 20 CHED C=CCCS(=O)(=O)N[C@@H](CC(C)(C)C)c1ccccc1 480932224 HMRJWLDBIOESHH-HNNXBMFYSA-N 295.448 3.659 30 20 CHED Cc1cccc(CN(Cc2cc(C#N)n(C)c2)CC(C)C)c1 483148039 LAHZXBXIKXZIOG-UHFFFAOYSA-N 295.430 3.863 30 20 CHED C(#Cc1ccccc1)CN[C@H]1CCC[C@@H]1c1ccccc1 483975436 GHVRSMQOXOZQNM-UXHICEINSA-N 275.395 3.964 30 20 CHED CC(C)(CC(=O)N[C@@]1(C#N)CC1(C)C)C1CCCCC1 484911470 OQPUOSONQSVRCO-QGZVFWFLSA-N 276.424 3.791 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)CCC1CCCCC1 487007768 QXCFMQBHVYCTEF-CQSZACIVSA-N 266.429 3.953 30 20 CHED C=CCCCCCN1CCCC2(CCOCC2)C1 488446160 GQMHFIAFMMKDHP-UHFFFAOYSA-N 251.414 3.625 30 20 CHED C=CCC[C@H](C(=O)N(CC)CCC)c1ccccc1 488656282 NHUJMRCSZGRNAY-INIZCTEOSA-N 259.393 3.995 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C\c1ccsc1 492521849 RNLJYGYPZPYWTM-WAYWQWQTSA-N 287.384 3.612 30 20 CHED C=CCCCCCN(C)C(=O)/C=C\c1scnc1C 492735991 AMXBGIHDJGNOBC-KTKRTIGZSA-N 278.421 3.670 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(Cl)cc1Cl 493937465 QKUYOKFKIYMYGK-UHFFFAOYSA-N 298.173 3.927 30 20 CHED CCC1(CC)CN(C(=O)C(C)(C)C#N)c2ccccc21 500857582 WMFVPCOXBXRLKG-UHFFFAOYSA-N 270.376 3.641 30 20 CHED C=C[C@@H](C)NC(=O)c1sc2cc(F)ccc2c1C 500917301 SARILLREGPVRDK-MRVPVSSYSA-N 263.337 3.653 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2C)cc1 509162814 PFADZTHHBHVTEN-AWEZNQCLSA-N 278.355 3.666 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(OCC3CC3)nc2)no1 515016612 NIQVGFYOZSDHOJ-QGZVFWFLSA-N 299.374 3.774 30 20 CHED C[C@@H](NC(=O)c1sccc1C#N)c1ccc(C2CC2)cc1 515806654 RQHLBBJMPHZRDN-LLVKDONJSA-N 296.395 3.988 30 20 CHED CC1(C)CCc2cccc(NCc3ccnc(C#N)c3)c2O1 530124152 HUMJWAOJQRHSFI-UHFFFAOYSA-N 293.370 3.669 30 20 CHED N#Cc1cccc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)n1 531472526 ORDRAJVFZAKWGB-QWRGUYRKSA-N 283.297 3.734 30 20 CHED CN(CC#Cc1cccc(Cl)c1)C1Cc2ccccc2C1 533322823 LIERWCDWIXEHKZ-UHFFFAOYSA-N 295.813 3.791 30 20 CHED CCOc1cccc([C@@H]2C[C@@H]2Nc2ccc(C#N)cc2)c1 537189722 BKXNHCJZJDFIBC-ROUUACIJSA-N 278.355 3.925 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC[C@H](C)C1 540644473 JUJKXZDAAMCHOH-HOCLYGCPSA-N 287.403 3.646 30 20 CHED CCC[C@@H](C#N)NC(=O)c1nc(C)sc1-c1ccccc1 540919622 ZXMXMDGTEGVVDX-ZDUSSCGKSA-N 299.399 3.541 30 20 CHED Cc1ccnc(N2CC[C@@H](Cc3ccccc3)[C@H]2C)c1C#N 542210348 OGEZBCRPWVZIKF-WBVHZDCISA-N 291.398 3.719 30 20 CHED N#Cc1c(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nc2ccccn12 542974039 AYCOHWZAHSTHLB-BFHYXJOUSA-N 280.375 3.587 30 20 CHED COc1ccc(C#N)cc1NCc1cnc(C2CC2)s1 543712138 IQQNZYIYVSAJID-UHFFFAOYSA-N 285.372 3.513 30 20 CHED C=CCSCCNC(=O)N1CCCC2(CCCCC2)C1 543746318 KBPMQAUNDFYOMK-UHFFFAOYSA-N 296.480 3.662 30 20 CHED N#CCc1ccc(NC/C=C\c2ccccc2[N+](=O)[O-])cc1 544926523 ANNFSCOWBSYQQA-HYXAFXHYSA-N 293.326 3.786 30 20 CHED C=CCCCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C 545310491 XDLHXPGIJRZLIY-ZDUSSCGKSA-N 262.353 3.910 30 20 CHED C[C@@H](CC#N)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 548120505 TXQAZTJWEVCBRP-FCCIYARUSA-N 288.435 3.791 30 20 CHED CC(C)[C@@H](NC(=O)[C@H](C)C#N)c1ccc(C(C)(C)C)cc1 549140383 HOCHVUVEZCAJBH-CZUORRHYSA-N 286.419 3.957 30 20 CHED C=CCOc1cccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 554880310 FLLWPKMGRPNETE-HSALFYBXSA-N 291.394 3.679 30 20 CHED C=CCC(C)(C)CNCc1cnc(-c2ccccc2)nc1 555591173 RAWAZYYHWKYIKL-UHFFFAOYSA-N 281.403 3.836 30 20 CHED N#Cc1cc[nH]c(=NCc2csc3ccccc23)c1Cl 557508632 SVJHMTUNLBIOBH-UHFFFAOYSA-N 299.786 3.855 30 20 CHED Cc1csc(NC(=O)N2CC[C@H](C)C[C@H](C)C2)c1C#N 560465738 PASGNXIHAPGBSX-QWRGUYRKSA-N 291.420 3.828 30 20 CHED CC[C@@H](C)CCC(=O)Nc1cc(C#N)c2ccccc2n1 561840736 NNPVGEUXNRFANO-GFCCVEGCSA-N 281.359 3.871 30 20 CHED C=CCC1(C(=O)N[C@H](C#N)c2ccc(CC)cc2)CCC1 561863631 PESBAMNAYYKUAC-MRXNPFEDSA-N 282.387 3.676 30 20 CHED CC(C)Oc1cccc(CN2CCC(CCC#N)CC2)c1 563884913 BDZKQQJGSMYXTG-UHFFFAOYSA-N 286.419 3.990 30 20 CHED COc1ccc([C@@H](CCC#N)NCCc2ccc(C)o2)cc1 564317494 MPQFEHAMCCBOAZ-GOSISDBHSA-N 298.386 3.774 30 20 CHED N#CCCCC(=O)NCC1(c2ccccc2)CCCCC1 565926003 DRDLQWWMYSRINT-UHFFFAOYSA-N 284.403 3.699 30 20 CHED CC1(C)CN(c2ccc(Cl)c(C#N)n2)[C@@H]2CCC[C@@H]21 572978518 LWSPJLAMDKQJLD-GXFFZTMASA-N 275.783 3.622 30 20 CHED C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 575221939 IPTHVUCEOQBMGA-IFXJQAMLSA-N 276.383 3.939 30 20 CHED C=CCC[C@H](N=c1ccc2c([nH]1)CCC2=O)c1ccccc1 581271227 AZMYKJIYJWSDKY-INIZCTEOSA-N 292.382 3.752 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1coc2cc(C)ccc12 582701309 LPMWTFAWMZIFJJ-HNNXBMFYSA-N 283.371 3.851 30 20 CHED CC1(C)C[C@H](NC(=O)CCCCCC#N)c2ccccc21 588161710 LWHUKMQBKHSCTR-INIZCTEOSA-N 284.403 3.999 30 20 CHED C=CCN(C(=O)CCCCCC#N)c1ccccc1 588842880 GNCUFEMRSGIWLA-UHFFFAOYSA-N 256.349 3.680 30 20 CHED CC1(C)C[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)CCO1 590780298 FGLDHKJOERKZFA-CRAIPNDOSA-N 298.430 3.730 30 20 CHED COC1([C@@H](C)NCc2ccc(C#N)c(Cl)c2)CCCC1 591531422 QYSRFSOICBAVNZ-GFCCVEGCSA-N 292.810 3.649 30 20 CHED CC(C)(C)[C@@H]1CN(c2ncncc2C#N)c2ccccc21 591935363 HBEMICLMHZWKNV-CQSZACIVSA-N 278.359 3.630 30 20 CHED COCCc1ccc(-c2ccc(CC#N)s2)cc1 592985474 XYIJKLUBAFLCRH-UHFFFAOYSA-N 257.358 3.670 30 20 CHED N#Cc1ccc(-c2cccc(OC3CCCC3)c2)cn1 592985681 PXBKEEQSUQVAKW-UHFFFAOYSA-N 264.328 3.942 30 20 CHED CC1(C)C[C@H](N[C@H]2CC[C@H](C#N)C2)c2cc(F)ccc2O1 593674551 XHYYDLCILAXTIA-WHOFXGATSA-N 288.366 3.710 30 20 CHED Cc1ccc(-n2ncc(N[C@H]3CCC[C@H](C#N)C3)c2C)cc1 593726027 VYIYJCDLARBWDF-HOTGVXAUSA-N 294.402 3.983 30 20 CHED N#Cc1ccc(CCNc2ccc([C@@H]3CCOC3)cc2)cc1 594704180 DWZVJEAIGWNAGV-GOSISDBHSA-N 292.382 3.717 30 20 CHED C=CCCSCCN[C@H](C)c1cccc(F)c1F 595059180 MCYUVDCVVKRBFW-LLVKDONJSA-N 271.376 3.925 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H]2CC[C@@H]2c2ccccc2)C1 595090414 ONUZZYZAOSAUNM-RKTXRCNFSA-N 254.377 3.605 30 20 CHED C[C@@H](CCC#N)N1CCc2nc(-c3ccccc3)sc2C1 595710598 AHLGHSQYEHVOBV-ZDUSSCGKSA-N 297.427 3.860 30 20 CHED CCN(CCc1cc(Cl)cc(Cl)c1)[C@H](C)C#N 595821607 XGBABYSVCAODCZ-SNVBAGLBSA-N 271.191 3.770 30 20 CHED N#Cc1cnnc(SCc2ccccc2C2CC2)c1 596203627 IUMDCPQKTMXHQZ-UHFFFAOYSA-N 267.357 3.518 30 20 CHED C[C@@H]1CC[C@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)C1 598881339 FBRIJPNMQURFCL-HIFRSBDPSA-N 282.387 3.880 30 20 CHED CC1CC(C#N)(C(=O)N(C)C[C@@H](C)C2CCCCC2)C1 600478766 RFRIZWBEPZLJLQ-XOYHFGRZSA-N 276.424 3.601 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 602480582 DBLUELHWPVVSJW-NJAFHUGGSA-N 281.403 3.698 30 20 CHED C[C@H](CCC#N)CNCCOc1cccc2ccccc12 602519434 YGWDKSFRRJSKIP-OAHLLOKOSA-N 282.387 3.748 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCC[C@H]1Cc1ccccc1 602560361 SWCPWBQKBMIISN-BPQIPLTHSA-N 270.420 3.927 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1nc(C(F)(F)F)cs1 602641999 WXMPALQAMNOYAU-BDAKNGLRSA-N 291.342 3.752 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CCC[C@@H](C)[C@H]1C 602643952 IVIZPXXSWYCLKP-VQHPVUNQSA-N 292.467 3.747 30 20 CHED CCCN(CCOCCC(C)C)Cc1ccc(C#N)cc1 604071146 JSIJVEFJWSKUIY-UHFFFAOYSA-N 288.435 3.833 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](C#N)CC(C)C 611251584 XIWPDYWAVGYGHP-UKRRQHHQSA-N 290.432 3.612 30 20 CHED C[C@H](Nc1cccc(C[S@@](C)=O)c1)c1cccc(C#N)c1 611483032 PQYTVSAOYGVCPX-YEJXKQKISA-N 298.411 3.610 30 20 CHED C[C@@H](CC(F)(F)F)N[C@H]1CCCc2cc(C#N)ccc21 613516451 QMDKMCZSVCJDNI-HZMBPMFUSA-N 282.309 3.866 30 20 CHED CC[C@H](NC1CCC(O)(CC)CC1)c1ccc(C#N)cc1 618571479 VODJDNRLVLIZQL-ADKAHSJRSA-N 286.419 3.683 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccsc1 618802994 GKGLWZKKSAENCD-MEDUHNTESA-N 268.385 3.958 30 20 CHED C=CCC[C@H](NC(=O)c1cc(CO)c(C)o1)c1ccccc1 632002620 ZVTJZCIKGFABMW-INIZCTEOSA-N 299.370 3.518 30 20 CHED C=C(C)CN(C)Cc1ccc2ccc(F)c(F)c2n1 638909014 CAJAWPOQFLJIHF-UHFFFAOYSA-N 262.303 3.521 30 20 CHED CCC(F)(F)CN1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 639504421 RHLJXBVKEXNEQY-KNVOCYPGSA-N 299.205 3.704 30 20 CHED C=CCN(Cc1cc2cc(Cl)cnc2o1)C1CC1 648517090 ACWHACFFGDYQSD-UHFFFAOYSA-N 262.740 3.632 30 20 CHED C=CCCc1noc(CCCOc2ccc(C)cc2)n1 651355619 QANABYUDNFCGRY-UHFFFAOYSA-N 272.348 3.508 30 20 CHED C=CCCn1cc(CN(C)[C@H](C)c2ccc(C)cc2C)nn1 653504498 XPMVDDOJNDHHKW-MRXNPFEDSA-N 298.434 3.664 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccncc2Cl)C1 661381145 WGQRXYLCKPCAGN-GFCCVEGCSA-N 250.773 3.523 30 20 CHED C=CCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 661569328 LVAFLQUEUWYEBX-BRWVUGGUSA-N 284.403 3.540 30 20 CHED C=CCC1(NC(=O)Nc2cccc(CN)c2)CCCCC1 667732359 IIYSNGJLRAXCBQ-UHFFFAOYSA-N 287.407 3.546 30 20 CHED C=CCCNC(=O)Nc1cc(C)ccc1C(F)(F)F 667935393 MFCUZIKCZZAQBI-UHFFFAOYSA-N 272.270 3.711 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 714399205 FXEOODMQIBXSCK-GXFFZTMASA-N 276.767 3.976 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1F 731488587 LOEZKLHLLCOWKE-GQCTYLIASA-N 284.286 3.759 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1sccc1C 733743491 VGTXUDAFACYTBU-UHFFFAOYSA-N 275.333 3.801 30 20 CHED CC(C)(C/N=C\c1ccccc1O)c1cccs1 733903219 IVJXSGZAWBEPMZ-YBEGLDIGSA-N 259.374 3.850 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(CC)C[C@@H](C)C#N 735037263 IUKUWFRYHYZSLH-LSDHHAIUSA-N 266.429 3.991 30 20 CHED CCC/C=C/C(=O)[C@@H](C#N)c1ccc2ccccc2n1 735203378 FOOWVDDYQIBVDQ-MDDUGHTDSA-N 264.328 3.767 30 20 CHED C=C(Cl)CNC(=O)c1cc(C2CC2)nc2ccccc12 736238011 DCSRYYWBWQUXAA-UHFFFAOYSA-N 286.762 3.595 30 20 CHED Cc1ccc2c(c1C)C(=NNCc1ccccc1)CCO2 737423705 VVDVIRXBPSBRFG-UHFFFAOYSA-N 280.371 3.580 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H]1CCC[C@@H](C)C1 741519991 CKMJOLISMJBDTC-TZMCWYRMSA-N 287.359 3.689 30 20 CHED C#CCNC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 742711682 BAKWRJPEPQROCJ-HNNXBMFYSA-N 292.382 3.689 30 20 CHED Cc1nc(C=NNc2cccc(Br)c2)cs1 745988426 VZIROQNDZPGRTG-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CC(=NOCc1cccnc1)c1sc(C(C)C)nc1C 746585327 BZYNMBORDUTLKX-UHFFFAOYSA-N 289.404 3.911 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2)nc1 747743100 DMOYGXGKUYBTQJ-HNNXBMFYSA-N 296.326 3.579 30 20 CHED C(=NNc1ccccn1)c1cccc(-c2ccccn2)c1 747748128 ZVEJSDJTJUQALF-UHFFFAOYSA-N 274.327 3.590 30 20 CHED Cc1cscc1NC(=O)Nc1cccc(OCC#N)c1 748563654 VRLYDUIVZULNPG-UHFFFAOYSA-N 287.344 3.603 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)C[C@H]1CCOC1 749566484 WDUAGMWNNZWJFJ-JKSUJKDBSA-N 298.471 3.661 30 20 CHED C=CCSCCNC(=O)/C=C(\C)c1cccc(Cl)c1 749934653 NDPIMCBYDIHNGS-ZRDIBKRKSA-N 295.835 3.779 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(OC(F)F)cc1 751526402 NBGWGAFIVRQJFA-LLVKDONJSA-N 284.306 3.502 30 20 CHED C=C(Cl)CNC(=O)c1cc(Cl)ccc1SCC 752416298 WQACEMXXMXFFQF-UHFFFAOYSA-N 290.215 3.934 30 20 CHED C=C(C)CN(CC)C(=O)CCCSC(C)(C)C 753946590 IOTZTZZYXBUHCR-UHFFFAOYSA-N 257.443 3.723 30 20 CHED COc1cc(C#N)ccc1CN[C@H](C)c1ccc(C)s1 754664497 RZCIWNINXKKBAB-GFCCVEGCSA-N 286.400 3.788 30 20 CHED C=CCc1cc(CN2CCC(C)(C)CC2)c(O)c(OC)c1 754727467 XIVPGXGZIACICD-UHFFFAOYSA-N 289.419 3.751 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)CCCC(F)(F)F)c1 755211531 MRUPKEIIRKRZRE-NSHDSACASA-N 298.308 3.911 30 20 CHED CC[C@H](C)c1ccc(C(=O)NCCCCC#N)cc1 755284714 CMWCSRUVLPRSGS-ZDUSSCGKSA-N 258.365 3.624 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)cc1 755601669 QDSPJQIDNGFZQC-ONNFQVAWSA-N 299.345 3.884 30 20 CHED CC(C)CC1(C(=O)OCC2(CC#N)CC2)CCCC1 756295814 FZFCPUKDUQBPDQ-UHFFFAOYSA-N 263.381 3.830 30 20 CHED C#CC[C@H](NC(=O)NCC1(C)CCCC1)c1ccccc1 757028290 XHNMFRNCOFSFCV-INIZCTEOSA-N 284.403 3.631 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1F)c1cncc(F)c1 758062887 PFLJZIZSGSAIKN-ZPUQHVIOSA-N 289.256 3.951 30 20 CHED Cc1cccc(C)c1COC(=O)c1ccc(CC#N)cc1 758678682 UPZKDMWUENJNHE-UHFFFAOYSA-N 279.339 3.727 30 20 CHED C[C@@H](C(=O)OCc1cc(F)ccc1C#N)c1ccsc1 759360531 ATVSPKXIJVAQIA-SNVBAGLBSA-N 289.331 3.606 30 20 CHED CCCCCCCCc1nc(-c2ncc(C)cn2)no1 762219059 VCVCKNIXHJENJX-UHFFFAOYSA-N 274.368 3.738 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@H](CC)CC#N)cc1 762722316 KRPJOAXTAKQKCJ-SWLSCSKDSA-N 258.365 3.622 30 20 CHED COc1ccc(C(=O)/C=C\c2sccc2OC)c(F)c1 764435776 URVIDQCUMSRCMI-WAYWQWQTSA-N 292.331 3.801 30 20 CHED COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1C1CC1 766324364 NKCHEXZZHDVAPP-UHFFFAOYSA-N 293.322 3.663 30 20 CHED CCCCCCCCN1CC[C@@H](c2nccn2C)C1 767114685 DUDJMVVQYLLUJU-OAHLLOKOSA-N 263.429 3.570 30 20 CHED COc1ccc(NN=C(C)CC2CCC2)c([N+](=O)[O-])c1 767801928 XKTASPXJCGFRMW-UHFFFAOYSA-N 277.324 3.581 30 20 CHED C[C@H](CC(=O)OCC1(C#N)CCC1)c1ccc(F)cc1 768079695 ZHZROQCSJSIURG-GFCCVEGCSA-N 275.323 3.556 30 20 CHED Cc1cccc(C)c1C=NNc1cc(C#N)cc(Cl)n1 768372606 BMXXOJOKVSKRNT-UHFFFAOYSA-N 284.750 3.670 30 20 CHED C=CCCCCCN(C)Cc1cccc(OCC)c1O 769446813 PWYMPGIXUKPIDU-UHFFFAOYSA-N 277.408 3.969 30 20 CHED C=CCCCCNC(=S)Nc1cc(C)cc(C)c1 769760732 PWEAQGPQCVLNNZ-UHFFFAOYSA-N 262.422 3.946 30 20 CHED CC1=CC(=NNc2ccnc(Br)c2)CCC1 769806426 YERACQJKYDEWGS-UHFFFAOYSA-N 280.169 3.742 30 20 CHED Cc1cccc(F)c1NN=C1[C@@H]2CCCO[C@H]2C1(C)C 769842139 YUFAVGSUMYQZLN-XHDPSFHLSA-N 276.355 3.737 30 20 CHED C=CC[C@@H](N[C@@H](C)c1nccs1)c1ccncc1 772457609 XZPJOUNWJGEYSF-WCQYABFASA-N 259.378 3.506 30 20 CHED Cc1nc(C)c(C=NN[C@H]2CCCCC2(C)C)s1 773123954 CYGFPJKYDWKYAH-ZDUSSCGKSA-N 265.426 3.652 30 20 CHED C#CCOc1ccccc1NCc1cc(C)ccc1OC 774375830 TWYRWMCNJKTTSH-UHFFFAOYSA-N 281.355 3.628 30 20 CHED C=CCOc1ccc(C=NOC2CCCC2)cc1OC 774598053 ZRNXZTXYFAYIPA-UHFFFAOYSA-N 275.348 3.553 30 20 CHED C(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1coc2ccccc12 774607745 KUMNQDHSVNPKKA-SLEUVZQESA-N 254.333 3.545 30 20 CHED Cc1ccc(CC(=O)O[C@@H](C#N)C2CCCCC2)cc1C 776361913 KRYVLTZGMMXUDZ-KRWDZBQOSA-N 285.387 3.862 30 20 CHED C=CCN(CC=C)C(=O)CSCc1ccc(CF)cc1 776910136 ROHZUOAEZAIUSN-UHFFFAOYSA-N 293.407 3.590 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1cc(Cl)ccn1 777906569 ZLLFLKZPMDGGGT-UHFFFAOYSA-N 289.766 3.861 30 20 CHED C#CCCCCCC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 779916890 ZSLYOOBFLPBGGZ-FUHWJXTLSA-N 283.415 3.975 30 20 CHED CC1(C)CCC[C@H](C=NN[C@@H]2CCOC(C)(C)C2)C1 780247575 SSESYQYCRUGTRR-UONOGXRCSA-N 266.429 3.736 30 20 CHED C=CCC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1 780252040 YJTNXBXQGWORBT-HNNXBMFYSA-N 290.382 3.653 30 20 CHED Cc1nc2cc(NC(=O)C#Cc3ccccc3)ccc2s1 781224430 IVJPZENOJJEPLH-UHFFFAOYSA-N 292.363 3.595 30 20 CHED C#CCN(C(=O)[C@@H]1CCC(C)(C)C1)C1CCCCC1 781625893 LJCJXZALUCOFOX-CQSZACIVSA-N 261.409 3.607 30 20 CHED N#Cc1ccc(OC[C@H]2CC2(Cl)Cl)cc1Cl 783985442 ASDZXYYLHMMZKF-MRVPVSSYSA-N 276.550 3.784 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C2CCC2)cc1 786232161 ZCXTWCCMHAQANT-UHFFFAOYSA-N 270.376 3.879 30 20 CHED CC(=NNc1ccccc1)c1cnn(C(C)(C)C)c1C 787144399 JHURSJIYBRCYAX-UHFFFAOYSA-N 270.380 3.783 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1csc(Cl)c1 787186985 VYRCTGKXUXYSQR-IHWYPQMZSA-N 296.731 3.677 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1oc2ccccc2c1C 788032604 UZVCDZUGKNXATR-CYBMUJFWSA-N 273.332 3.518 30 20 CHED COc1cccc2cc(C=NN[C@@H](C)C(C)(C)C)oc12 793114231 FIRYRLKMFMSZIA-NSHDSACASA-N 274.364 3.800 30 20 CHED Clc1ccc(NN=Cc2ccc3occc3c2)cn1 794914670 KWAGOFOCXGHKKT-UHFFFAOYSA-N 271.707 3.927 30 20 CHED CC(CCc1ccsc1)=NNc1ncccc1F 794990958 UOMVAJFKMOAGKH-UHFFFAOYSA-N 263.341 3.703 30 20 CHED C#C[C@@H](C)N(C)Cc1nc(-c2ccc(C)cc2)cs1 796048750 BXVHVXSBIYBRJC-CYBMUJFWSA-N 270.401 3.572 30 20 CHED C=CCN(C(=O)c1ccc(C(F)(F)F)s1)C(C)C 796136983 BJFMIGZLFODMHD-UHFFFAOYSA-N 277.311 3.804 30 20 CHED C=C(Cl)COC(=O)c1cc(C2CC2)cnc1Cl 796165072 BJTDFEGQSSTWJL-UHFFFAOYSA-N 272.131 3.522 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(C(=O)CC)cc1 796732199 PDPIVICHLUBXEV-UHFFFAOYSA-N 260.333 3.787 30 20 CHED C#CCCCCC(=O)OCc1ccc(C(C)(C)C)nc1 797295450 QKTNPVBWEUFBKG-UHFFFAOYSA-N 273.376 3.616 30 20 CHED CSc1c(F)cccc1C(=O)OCCC(C)(C)C#N 797926789 QAXQMZXHSNGFJV-UHFFFAOYSA-N 281.352 3.644 30 20 CHED CCC(CC)(CNC(=O)c1ccc(C)c(C#N)c1)SC 799344556 YIRNFOOTXDCDGQ-UHFFFAOYSA-N 290.432 3.518 30 20 CHED COc1cc(/C=C\C(=O)c2ccnc(Cl)c2)ccc1C#N 799497365 PCOMNPDQFBPFAT-HYXAFXHYSA-N 298.729 3.511 30 20 CHED COc1cccc2c1CC/C(=C\c1ccnn1C(C)C)C2=O 799502838 RHRRHSZJTZZWQW-ACCUITESSA-N 296.370 3.685 30 20 CHED C=CCOc1ccc(OC(=O)C(C)(C)CSC)cc1 799953764 YEFYYMUDMKRYGN-UHFFFAOYSA-N 280.389 3.546 30 20 CHED Cc1cc(C#N)ccc1Oc1nc(Cl)c(C#N)s1 804404582 SDFHDLVZLZIJLL-UHFFFAOYSA-N 275.720 3.641 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)C#Cc2ccccc2)C1 804779404 BUYATFKJFUFDED-APWZRJJASA-N 289.378 3.648 30 20 CHED C#C[C@@H](C)NC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 806432070 FMLLXAFEWLJBKT-SSDOTTSWSA-N 290.672 3.502 30 20 CHED C=CCCCCCCNC(=O)c1cnc(C(C)(C)C)nc1 807703191 VURBJZXCDNNXCL-UHFFFAOYSA-N 289.423 3.640 30 20 CHED CCc1ccc(C=NNc2ccc([N+](=O)[O-])cc2C)o1 807991543 ZSOBPHNUYBFNTG-UHFFFAOYSA-N 273.292 3.505 30 20 CHED CC(C)(C)c1ccc(C(=O)/C=C\c2cnccn2)cc1 809152017 MTDDMGGQAAPFFD-HJWRWDBZSA-N 266.344 3.670 30 20 CHED C#C[C@H](NCc1ccc(C)o1)c1ccc(Cl)cc1F 809698986 LDWWTCAGXYLBAN-HNNXBMFYSA-N 277.726 3.845 30 20 CHED C#C[C@H](NCc1cccc(-c2cccnc2)c1)C(C)(C)C 809781495 SWVJEBVGYSCHHC-SFHVURJKSA-N 278.399 3.886 30 20 CHED C#CCC1(OC(=O)CCc2cn(C)c3ccccc23)CCC1 810749280 BAOPKRAIFIDECZ-UHFFFAOYSA-N 295.382 3.600 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCO[C@H](CC)C1 810766065 HLGLIHHQEADXBR-JKSUJKDBSA-N 281.440 3.834 30 20 CHED C#C[C@H](N[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(Cl)cc1 811517215 LIHBZIKKLJSOMZ-IKGGRYGDSA-N 291.822 3.808 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](C)C1CCC1)c1ccc(Cl)cc1 811898530 QHSBJAKOJOGWMB-XHDPSFHLSA-N 290.794 3.502 30 20 CHED Cc1cc(NN=C[C@@H]2CCOC2)nc2ccc(Cl)cc12 812443268 PMOLBTSSSQEIEI-NSHDSACASA-N 289.766 3.631 30 20 CHED CCOc1ccccc1C=NNc1ccccc1F 812459431 ZCDPFVCJAWTDET-UHFFFAOYSA-N 258.296 3.670 30 20 CHED CC(C)(C)NC(=S)NN=C1CC[C@@H](c2ccccc2)C1 814750615 SRUIPQIOTVAIMX-CYBMUJFWSA-N 289.448 3.573 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1ccc(N)nc1 814934379 BLSPQNSQFYESAE-UHFFFAOYSA-N 282.391 3.932 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(O)c(F)c2)cc1 814984771 HWVHNLFKEADFML-UHFFFAOYSA-N 288.322 3.766 30 20 CHED C=CCC(F)(F)C(=O)NC[C@H](c1ccccc1)C(C)C 815005466 KOHUAVYABAXAAO-AWEZNQCLSA-N 281.346 3.754 30 20 CHED C=CCC(F)(F)C(=O)NCc1cccc(OCC(C)C)c1 815102786 LHGQLJAOCVDVFY-UHFFFAOYSA-N 297.345 3.549 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@H]1CCC(C)C 815337382 KNVPIDOEJUCGJH-STQMWFEESA-N 273.367 3.919 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(F)cc1C 815621719 BLJLXBRLNYDXCW-ZQIUZPCESA-N 277.383 3.766 30 20 CHED C=CCC(F)(F)C(=O)N1CCc2ccccc2[C@H]1C(C)C 815821653 CPQPKKGVJQPZKI-OAHLLOKOSA-N 293.357 3.980 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cccc(C2CC2)c1)OCC 822168236 YYNRDZSGBJSELG-MRXNPFEDSA-N 274.360 3.841 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)CC(C)C 822809150 QCHBYXMYJWYXEC-CABCVRRESA-N 264.413 3.601 30 20 CHED CC(C)C#CC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 831513798 HKEVUKYNQAIJDT-OAHLLOKOSA-N 271.404 3.517 30 20 CHED C#C[C@@H](NC(=O)C(C)=C1CCC1)c1ccc(Cl)cc1F 832373528 AVQGQPUGQDDNQB-OAHLLOKOSA-N 291.753 3.770 30 20 CHED Cc1oc2ccccc2c1C=NN[C@H](C)C(F)(F)F 835000086 IUUIBESJQQSOOX-SECBINFHSA-N 270.254 3.616 30 20 CHED Cc1ccc([C@H](C)N(C)C(=O)C#CC(C)(C)C)c(C)c1 837333376 HPINKLOONHVDPE-HNNXBMFYSA-N 271.404 3.872 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)COC(C)(C)CC 838784059 MWDXKXQPCCUZFU-UHFFFAOYSA-N 292.375 3.534 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)C1CCC1 838965247 STBQHOQVLFWMKF-JOYOIKCWSA-N 296.292 3.713 30 20 CHED C=Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 839062158 LCZXTUHGEAQKGY-ZFWWWQNUSA-N 255.317 3.569 30 20 CHED CCOc1cccc(/C=N/C[C@H]2CCCC2(F)F)c1O 840710223 QWRXPNBUNHKNGN-KBSHCFNASA-N 283.318 3.645 30 20 CHED CC(C)OCCNN=C1CC[C@@H](c2cccc(Cl)c2)C1 841633234 JOXYTRKCBMHMLU-CQSZACIVSA-N 294.826 3.978 30 20 CHED CCC(CC)CNN=Cc1cccc(O)c1Br 841634763 UNTLKMPHYVBCAP-UHFFFAOYSA-N 299.212 3.514 30 20 CHED CC(C)=CCOc1cccc(CC(=O)OC2(C#N)CCC2)c1 842318690 KDNBJBBUKWPNHD-UHFFFAOYSA-N 299.370 3.564 30 20 CHED FC1(F)CCC(=NNc2nncc3ccccc23)CC1 842519417 KIDXQOOSTSSBRP-UHFFFAOYSA-N 276.290 3.607 30 20 CHED C=C(C)CONC(=O)Nc1ccc(SC)c(Cl)c1 844551885 IKOFHNPLVGMBAA-UHFFFAOYSA-N 286.784 3.691 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(C)c(-c2ccccc2)s1 845236429 SIZJWZHOTBRQFP-LLVKDONJSA-N 285.372 3.607 30 20 CHED C=CCC[C@@H](OC(=O)c1cnc2n1[C@H](C)CCC2)C1CC1 845492010 AEFVXHPLXBXTTE-IUODEOHRSA-N 288.391 3.682 30 20 CHED CCCCc1ccc(N(C)C(=O)[C@@H](C#N)CC)cc1 845707349 ORSLRRRTHOSKBN-CQSZACIVSA-N 258.365 3.542 30 20 CHED C=C(C)CONC(=O)c1cccn1[C@@H](C)Cc1ccccc1 846535620 HHKVNAWNUKKIAN-HNNXBMFYSA-N 298.386 3.529 30 20 CHED C/C=C(\CC)C(=O)N(C)[C@H](C#N)c1ccc(CC)cc1 847041618 ADUKEROZFSUXSS-QHDPKREISA-N 270.376 3.628 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2nc(C3CC3)cs2)c1 847108347 HDJMZHAPPDNDAN-UHFFFAOYSA-N 297.383 3.670 30 20 CHED C[C@H]1/C(=C\c2c(C3CC3)cnn2C)C(=O)c2ccccc21 849249587 JNBYTMRKKSMUCW-BTAWCLGRSA-N 278.355 3.681 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1ccc(C(F)F)nc1 850425278 RTUZCUKLIRZGTN-NSHDSACASA-N 287.313 3.742 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@H](C)CC(C)(C)C#N 851206417 RYQNLJWQSBIVRZ-UONOGXRCSA-N 298.386 3.608 30 20 CHED Cc1cccc(O[C@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851213026 CHQSKUIFEXRDOP-UONOGXRCSA-N 289.375 3.634 30 20 CHED C#CCn1ccc(CN(CC)Cc2cccc(C(C)C)c2)n1 851996574 WLMUWZMOKJEAQM-UHFFFAOYSA-N 295.430 3.662 30 20 CHED C=C(Cl)CSCC(=O)N(C)[C@H](C)c1ccccc1 853784190 YUILKYJOLOEXLK-GFCCVEGCSA-N 283.824 3.692 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 855544498 CRMLIYCWSUREKW-INIZCTEOSA-N 287.403 3.987 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H]1COc2cc(Cl)ccc21 860709421 NCRHQKKOZKXMCT-ZDUSSCGKSA-N 293.750 3.647 30 20 CHED CCCCCCCNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 862354746 GILLTHXAAUQBFR-HNNXBMFYSA-N 286.419 3.823 30 20 CHED Cc1ccc(F)cc1NN=C1CCCc2scnc21 863125968 CDFRLSMGCIGZLS-UHFFFAOYSA-N 275.352 3.743 30 20 CHED Cc1noc(C)c1/C=C1/CCc2c(F)cccc2C1=O 865227988 ZZVMOZKLYYGNTH-FLIBITNWSA-N 271.291 3.643 30 20 CHED C#Cc1cccc(NC(=O)CCCOc2ccccc2C)c1 874510283 PHHHNDHDLWJVEH-UHFFFAOYSA-N 293.366 3.774 30 20 CHED C=C(Cl)COC(=O)C1(c2ccc(F)cc2)CCC1 875614602 ZERVYYPFGKBHHV-UHFFFAOYSA-N 268.715 3.543 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 876167279 OTIJLJFQAMJAAG-QWRGUYRKSA-N 278.783 3.857 30 20 CHED CC(=O)[C@@](C#N)(CCN1CCC[C@@H](C)CC1)c1ccccc1 878002066 MCSKQEQHADLNGX-APWZRJJASA-N 298.430 3.549 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnn([C@H](C)CC)c1C 879740067 IABFSZNOFICJFC-LLVKDONJSA-N 263.385 3.703 30 20 CHED CCOc1ccccc1[C@@H](CC)Nc1cc(C#N)nc(C)n1 881898738 NRYRBNKDONFFIV-OAHLLOKOSA-N 296.374 3.619 30 20 CHED C=CC(C)(C)CC(=O)N(c1nc(C)cs1)C1CC1 889099668 JRNDMPZTMOOABJ-UHFFFAOYSA-N 264.394 3.549 30 20 CHED N#CCCCCCC(=O)NCCC1CCC(F)(F)CC1 890058513 IMSUSNFXCJOFOR-UHFFFAOYSA-N 286.366 3.792 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 891851867 JFVUZIITHMXMSH-GOSISDBHSA-N 294.398 3.798 30 20 CHED N#CCN(C(=O)CC(C1CCC1)C1CCC1)c1ccccn1 892472868 IUZALHWCRBFAAV-UHFFFAOYSA-N 297.402 3.545 30 20 CHED C=CC(C)(C)Cc1nc(-c2ncccc2OC(C)C)no1 896826797 JXEYCWLZQZUDJM-UHFFFAOYSA-N 287.363 3.674 30 20 CHED C=CCCCCNc1cccc(N=S(C)(C)=O)c1 902146371 DVTVGOGOOPLXHH-UHFFFAOYSA-N 266.410 3.814 30 20 CHED COc1ccc(Cl)c2c1CCC[C@H]2NCC1(C#N)CC1 903220734 NQCAJJOLCKCDMK-CYBMUJFWSA-N 290.794 3.619 30 20 CHED CCOc1ccc([C@H]2CCCN2c2ccnc(C#N)c2)cc1 911648679 ULGUSJNZKDZSGZ-GOSISDBHSA-N 293.370 3.693 30 20 CHED CCc1ccccc1NN=Cc1cccc(OC)c1 915051424 GIEATWBQRKMBIQ-UHFFFAOYSA-N 254.333 3.704 30 20 CHED CC(CCN(C)C)=NN=C1c2ccccc2-c2ccccc21 915957148 ONFACKDMKMPYOO-UHFFFAOYSA-N 291.398 3.832 30 20 CHED Cc1ccc(C)c(C=NNc2nc3ccccc3n2C)c1 915967184 DQCIAUZRRGOTSA-UHFFFAOYSA-N 278.359 3.636 30 20 CHED C=CCN(C(=O)Nc1cc(Cl)ccc1F)C(C)C 916707684 RYXGLTSLHHEWLF-UHFFFAOYSA-N 270.735 3.907 30 20 CHED Cc1ccc(C=NN[C@H](C)c2ccccc2)c(C)c1 920386256 VNFPFNBFSCQTBS-OAHLLOKOSA-N 252.361 3.988 30 20 CHED CCOc1cccc(/C=N/Cc2ccc(F)c(F)c2)c1O 920387225 NDDJNEABTJERKK-VXLYETTFSA-N 291.297 3.688 30 20 CHED Cc1cc(C)c(/C=C/C(=O)c2c(C)nn(C)c2C)c(C)c1 920832727 UGSUKEGQSPXKPJ-BQYQJAHWSA-N 282.387 3.858 30 20 CHED C=C(C)CCc1noc([C@@]2(C)CC(c3ccccc3)=NO2)n1 924067101 KZWIPZZJPHFWMS-QGZVFWFLSA-N 297.358 3.618 30 20 CHED CC/C(=C\C(=O)N1CCC[C@H](C#N)C1)c1ccc(C)cc1 928220998 LKIFJTKCDHLXMJ-YLQKULKDSA-N 282.387 3.551 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1116425460 BFOUCLSINGUIJL-VHSXEESVSA-N 284.762 3.804 30 20 CHED CCCCc1ccc(C(C)=NNc2ccn(C)n2)cc1 1116759767 NYSROPVFILGNBH-UHFFFAOYSA-N 270.380 3.599 30 20 CHED C=C[C@H](C(=O)NCC1CCC(F)(F)CC1)c1ccccc1 1123873060 SSTDQALRFHUSHS-HNNXBMFYSA-N 293.357 3.898 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 1129179459 VAWUOQSBOMBMHX-CQSZACIVSA-N 276.424 3.793 30 20 CHED C[C@H]1CCC[C@@H](N(C)c2nc(C#N)c(Cl)s2)C1 1162298058 XMSCWNGYVSBHKK-DTWKUNHWSA-N 269.801 3.683 30 20 CHED CCC1(CNC(=O)CC#Cc2ccccc2)CCCC1 1252967272 GUGUUYYYVRXSQR-UHFFFAOYSA-N 269.388 3.515 30 20 CHED CC(Cc1ccccc1Cl)=NO[C@@H]1CCCCO1 1253646392 FQSQONVCGLQMTG-CQSZACIVSA-N 267.756 3.802 30 20 CHED C=CCCCCC[C@@H](C)Nc1ccc(NC(C)=O)cn1 1257292093 FHHGACKREGJKTQ-CYBMUJFWSA-N 275.396 3.977 30 20 CHED Cc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)cc1F 1258719174 NVCJKYRNKTUYLS-UHFFFAOYSA-N 279.274 3.723 30 20 CHED Cc1cc(C(=O)N(c2cccc(C#N)c2)C2CCC2)oc1C 1262101344 WTTIZAICAWNCTG-UHFFFAOYSA-N 294.354 3.967 30 20 CHED C=C1CC(c2noc([C@@H](C)c3ccc(F)cc3F)n2)C1 1262115776 LZCTXLYMNJGWLT-VIFPVBQESA-N 276.286 3.933 30 20 CHED CS[C@H]1CC[C@@H](N(C)CC#Cc2ccc(Cl)cc2)C1 1318960394 MTFNLERTMKLWQT-CVEARBPZSA-N 293.863 3.907 30 20 CHED CCc1ccc(OC(=O)C2(c3cccc(C#N)c3)CC2)cc1 1319316782 ZTYGBFWVFUTUMX-UHFFFAOYSA-N 291.350 3.758 30 20 CHED CC1(C(=O)Nc2ccc(OCC#N)cc2)CCCCCC1 1320070303 FSDYDQVGVVCBAB-UHFFFAOYSA-N 286.375 3.888 30 20 CHED Cc1cc(C)c(C(=O)OCCCCC(C)(C)C#N)[nH]1 1322030498 SMPKKDFECQRQKI-UHFFFAOYSA-N 262.353 3.508 30 20 CHED Cc1ccc(OC(=O)CC#Cc2ccccc2)c(C)c1 1322546519 MCLUQGPAQWISFT-UHFFFAOYSA-N 264.324 3.651 30 20 CHED C=CCOCCCC(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1323315984 XPTZCCATDLIXGC-ULQDDVLXSA-N 295.467 3.794 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1csc(C#N)c1 1325182121 ZLPYRLIJCSKVAJ-FZMZJTMJSA-N 276.405 3.661 30 20 CHED Cc1c(C#N)cccc1C(=O)OCC[C@@H]1CC1(Cl)Cl 1329161535 VCMLAEKTVQCWPK-LLVKDONJSA-N 298.169 3.607 30 20 CHED C[C@@H](CCO)Sc1cc(C(F)(F)F)c(F)cc1C#N 1336527113 KOZLEMNCYAFINP-ZETCQYMHSA-N 293.285 3.579 30 20 CHED C/C(=C/C(C)(C)C)C(=O)Nc1cnc(Cl)cc1C#N 1338911382 GXNQRFPQWLEWMW-TWGQIWQCSA-N 277.755 3.538 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@H]1C[C@@H]1C)c1cccs1 1343900384 FUZVEYOIAXYONG-NOHGZBONSA-N 263.362 3.538 30 20 CHED C#CCCN(Cc1cccc2ccoc12)CC(F)(F)F 1344068781 IIFJZGAYHSKTDL-UHFFFAOYSA-N 281.277 3.820 30 20 CHED Cc1cccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 1354390235 VDTPUHUEMPBWAT-CQSZACIVSA-N 278.355 3.684 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 1359141871 UPPKDLXMPFSLTO-YPMHNXCESA-N 296.846 3.779 30 20 CHED CN(C(=O)c1cc(F)cc2ccoc12)c1ccc(C#N)cc1 1435247574 BUZJMZBWWYVBKI-UHFFFAOYSA-N 294.285 3.720 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc(C#N)cn1 1458635480 UVLFOSRFGFQQSP-PBHICJAKSA-N 277.371 3.726 30 20 CHED Cc1ccccc1[C@H]1CCN(CCc2ccc(C#N)cc2)C1 1459394732 DZHJIANEFFBGIN-IBGZPJMESA-N 290.410 3.899 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2CC2CCCCC2)n1 1461941442 VLBIEZQTMKBRQP-SFHVURJKSA-N 283.419 3.888 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1Cl)c1ccccn1 1472882658 UCEMXHQUSZDNIT-LBPRGKRZSA-N 272.739 3.565 30 20 CHED CC(C)O[C@H]1C[C@H](Nc2cc(F)cc(C#N)c2)C1(C)C 1474666192 ISTOYWJUGSBOHR-GJZGRUSLSA-N 276.355 3.701 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CC(C)(C)C 1476266987 OQTUIEWGWYQISF-NSHDSACASA-N 273.380 3.813 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)cc1C#N 1521087673 XJBJOJKZVFIYDK-WMLDXEAASA-N 284.403 3.811 30 20 CHED N#Cc1ccc(NC(=O)c2ccsc2Cl)cc1F 1535016127 DKRSFRXIZUANMA-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC(CCc1cncc2ccccc12)=NNCC(C)(C)F 1552762904 NRLFOIDYSZPFCD-UHFFFAOYSA-N 287.382 3.881 30 20 CHED C[C@@H]1CCCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 1560681676 RNFPVTUEPJLUAA-RHSMWYFYSA-N 256.393 3.816 30 20 CHED C=C[C@@H](OC(=O)c1cccc(NC(=O)O)c1)c1ccccc1 1573348447 XCPFUAQEMCRIQF-OAHLLOKOSA-N 297.310 3.861 30 20 CHED COc1cccc([C@H](C)C(=O)Nc2cc(C)cc(C#N)c2)c1 1597275275 LJVARBLZUHANBQ-ZDUSSCGKSA-N 294.354 3.618 30 20 CHED Cc1cc(NC(=O)c2csc(C#N)c2)ccc1Cl 1611318169 NFHKMHPUOFPEHC-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCCCC1CCC(CNc2cc(C#N)cnn2)CC1 1639339412 IAMYMEHSBSCVJC-UHFFFAOYSA-N 272.396 3.757 30 20 CHED CC[C@@H](CNc1ccc(C#N)c(C)n1)Oc1ccccc1C 1651575080 ULXASQYYGNCSOQ-INIZCTEOSA-N 295.386 3.840 30 20 CHED C=C(CNCc1cccc(C)c1F)c1ccccc1 1655536280 AOBOMMJYROWEFJ-UHFFFAOYSA-N 255.336 3.937 30 20 CHED COc1ccc2c(c1)CCN(CCC1(C#N)CCCCC1)C2 1659453972 RFSVZMLBYZVOMZ-UHFFFAOYSA-N 298.430 3.917 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(OC(C)(C)C)c1 1675069804 URBWTNFYXZNEMO-UHFFFAOYSA-N 282.771 3.738 30 20 CHED C[C@H]1CCC(F)(F)CCC1=NNc1ccc(C(=O)O)cc1 1776014124 HWYDFLMUQSKKQM-JTQLQIEISA-N 296.317 3.998 30 20 CHED Cc1cccc(Cl)c1NN=C1CC[C@H](CC(=O)O)[C@@H]1C 1776060692 JHYJYMWPYJCHJE-WDEREUQCSA-N 294.782 3.937 30 20 CHED CC[C@H](C)CON=Cc1ccc2oc(C(=O)O)cc2c1 1776112431 ZZTQARXFPCVACW-JTQLQIEISA-N 275.304 3.528 30 20 CHED C=C[C@H]1CCCN([C@H](C(=O)O)c2cccc3ccccc23)C1 1776150517 UKGQIAQUGNWYAF-KSSFIOAISA-N 295.382 3.864 30 20 CHED C=CCCCCCN(CC)c1cccc(C(=O)O)c1 1776173065 PSDNQTZYRNPSTH-UHFFFAOYSA-N 261.365 3.958 30 20 CHED C=CCc1ccccc1CN1CCC[C@](CC=C)(C(=O)O)C1 1776188006 VJLCMXXFNCMCDB-IBGZPJMESA-N 299.414 3.658 30 20 CHED C=CCc1ccccc1CNc1ccc(F)c(C(=O)O)c1 1776188693 VXGKRFYPGMKTJV-UHFFFAOYSA-N 285.318 3.865 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)cc1 26133017 ARDYXFDJRYDVMR-IZZDOVSWSA-N 299.333 3.640 30 20 CHED Cc1cccc([C@@H](C)NCc2cccc(C#N)c2)c1 37748910 BHQXXTYQYIRJER-CQSZACIVSA-N 250.345 3.718 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc3c2OCO3)s1 44026021 LYNLAXJQTKYACW-VOTSOKGWSA-N 272.325 3.681 30 20 CHED C=CCSCC(=O)Nc1cc(Cl)ccc1C 44279638 SAYAJDFBAAOBPQ-UHFFFAOYSA-N 255.770 3.506 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(F)cc1 45056453 YYTUUMFBGJIHSP-UHFFFAOYSA-N 271.291 3.643 30 20 CHED Cc1ccccc1C(=O)N[C@@H](C#N)c1ccccc1Cl 49882720 MLAUYYRUMZTIGR-HNNXBMFYSA-N 284.746 3.643 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)c1ccc(OC(F)F)cc1 54183246 LQLRKLNHPVFWJQ-JQWIXIFHSA-N 268.307 3.631 30 20 CHED N#Cc1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 54569643 AKSSLFBUOSOPLF-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C[C@H]1CCc2c(sc(NC(=O)c3ccoc3)c2C#N)C1 57788345 SQMIUHMIGAQGRQ-VIFPVBQESA-N 286.356 3.590 30 20 CHED N#Cc1ccc(C(=O)NCc2csc3ccccc23)cc1 57836797 FRLSUGVQBIKBSP-UHFFFAOYSA-N 292.363 3.703 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C(C)C 58451618 QEWFCHDIQJTXKT-HNNXBMFYSA-N 271.364 3.519 30 20 CHED CCOc1cccc(C(=O)/C=C/c2cccc(C#N)c2)c1 60162649 BRTMOHXQKVYGKL-MDZDMXLPSA-N 277.323 3.853 30 20 CHED N#Cc1ccc(Cl)cc1NCCc1cccs1 62785222 ZNHGCQLEPMZLDP-UHFFFAOYSA-N 262.765 3.928 30 20 CHED Cc1cc(Cl)ccc1OC(=O)C1(C#N)CCCC1 66696408 OHZOHBYNDZYWKL-UHFFFAOYSA-N 263.724 3.638 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C[C@H]2C=CCC2)cc1 68936115 OTGDWQPQKJPKJV-HNNXBMFYSA-N 268.360 3.598 30 20 CHED C#Cc1cccc(N(C(=O)c2ccc(OC)cc2)C(C)C)c1 77293911 AJZALKMTMAGXCU-UHFFFAOYSA-N 293.366 3.732 30 20 CHED C=CCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 78184858 ILQNZRZBSSYYKV-CABCVRRESA-N 257.377 3.666 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 78232846 IUHMQAINDFPKSU-UHFFFAOYSA-N 290.338 3.635 30 20 CHED C=CCN(CC=C)C(=O)NC[C@@H](CC)c1ccccc1 78320149 MYXZPGWRFIQGHO-OAHLLOKOSA-N 272.392 3.564 30 20 CHED Cc1ccoc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 80451392 GPHPPFMJINZGFF-JTQLQIEISA-N 274.345 3.658 30 20 CHED C=CCN(C(=O)c1cc(Br)ccc1C)C(C)C 87744883 HDOKNXYKBYOREB-UHFFFAOYSA-N 296.208 3.794 30 20 CHED N#CCC1(CSc2ccc(Br)cn2)CC1 88259769 UEKUGNYVYPXFOK-UHFFFAOYSA-N 283.194 3.630 30 20 CHED C#CCCCCN[C@H](C)c1cc(Cl)ccc1OC 90398097 IBWWAMVWXMDKOK-GFCCVEGCSA-N 265.784 3.803 30 20 CHED N#CCCCOc1c(C=O)cc(Cl)c2ccccc12 91597093 NLEZNJRBOLMJMS-UHFFFAOYSA-N 273.719 3.988 30 20 CHED Cc1cc(C#N)ccc1Oc1snc(Cl)c1C#N 92640476 XYDCFSAKGQCDDY-UHFFFAOYSA-N 275.720 3.641 30 20 CHED CC[C@@H](c1ccncc1)N(C)c1snc(Cl)c1C#N 92656182 PDDZMJUBPZDGNL-NSHDSACASA-N 292.795 3.651 30 20 CHED O=C1C=CO[C@H](C=C(c2ccccc2)c2ccccc2)C1 98178182 QIGIYEDVOXLZRE-SFHVURJKSA-N 276.335 3.990 30 20 CHED Cc1cc(C)cc(CSc2ncccc2C#N)c1 106004159 JTPKJOUCQPZROX-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C=CC1CCN(C(=O)Nc2ccccc2Cl)CC1 111419414 JBUAZEQDELKFSO-UHFFFAOYSA-N 264.756 3.770 30 20 CHED C=CCCCSCC(=O)N(C)[C@H](C)c1ccccc1 117944866 AEIMXYQGWCIHLX-CQSZACIVSA-N 277.433 3.905 30 20 CHED C=C(Cl)CSCc1noc(-c2ccc(OC)cc2)n1 121571746 SHCIKOFKHNKNTQ-UHFFFAOYSA-N 296.779 3.731 30 20 CHED CCCC(C#N)(CCC)NC(=O)C(F)(F)c1ccccc1 121814409 RVOUYAGBLAOXQR-UHFFFAOYSA-N 294.345 3.757 30 20 CHED C=CCOc1ccccc1CN(C)Cc1csc(C)n1 125028700 RPKYIZCVHKQIGK-UHFFFAOYSA-N 288.416 3.648 30 20 CHED CCN(CC#N)C(=O)CCCc1csc2ccccc12 127045493 DMAOHFCYZGXEQS-UHFFFAOYSA-N 286.400 3.596 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)s2)cc1C 127456408 ITSJSDPTLQPIOO-UHFFFAOYSA-N 286.400 3.569 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(F)c(OC)c1 130311727 AHPCSSIVOUKTKR-UHFFFAOYSA-N 299.345 3.663 30 20 CHED C#CCCOc1ccc(CN(C)[C@H](C)c2ccco2)cc1 131097825 SNYXTLYCAYMUGT-OAHLLOKOSA-N 283.371 3.875 30 20 CHED COc1cc(C(=O)/C=C/c2ccc(F)cc2C)ccc1O 131120941 UFIOQPLKOPZIQK-QPJJXVBHSA-N 286.302 3.744 30 20 CHED C=CCCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 132564766 XNPIDKRDPWFAGA-KRWDZBQOSA-N 280.371 3.532 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 132627699 KWTOCHPUMCDBDS-UHFFFAOYSA-N 294.354 3.988 30 20 CHED C=C(C)COCCNc1nc2ccccc2cc1C 133216974 GTSHFGZERJJWGE-UHFFFAOYSA-N 256.349 3.548 30 20 CHED C=CCSCCNC(=O)[C@@H](C)Cc1ccccc1Cl 133572038 QRTNYZIUIDKTGT-LBPRGKRZSA-N 297.851 3.554 30 20 CHED N#Cc1ccncc1NCc1ccc(C(F)(F)F)cc1 135285646 RCBGKCKYWHBBKF-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1CCCSCC#N 135354491 LODPBRBRYGHLKA-ZIAGYGMSSA-N 254.443 3.534 30 20 CHED N#Cc1ccc(CNCc2cccc(C(F)(F)F)c2)s1 135668427 MECZSOXUWVHGNL-UHFFFAOYSA-N 296.317 3.928 30 20 CHED CCCCCCCC(=O)NCCc1ccc(Cl)nc1 151035040 ZRWYYQULSNBSJE-UHFFFAOYSA-N 282.815 3.754 30 20 CHED Cc1ccc(F)c(NC(=O)c2ccc(C#N)c(Cl)c2)c1 153586220 DRJNZYGTPIJTBJ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1cncc(-c2ccccc2)c1 154415890 KJTFDXLUQWCUPF-INIZCTEOSA-N 294.354 3.844 30 20 CHED CCO[C@H](C)c1nccn1CC#Cc1cccc(Cl)c1 155625585 DAFUXRPXQUPIJD-CYBMUJFWSA-N 288.778 3.686 30 20 CHED O=C(/C=C/c1cc(F)cc(C(F)(F)F)c1)c1cnccn1 157314023 DZZPHFJYDZOLBY-OWOJBTEDSA-N 296.223 3.531 30 20 CHED C=CCN(C)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 157766166 FCANPONYAHMGNA-UHFFFAOYSA-N 298.333 3.792 30 20 CHED N#Cc1ccc(OC(=O)[C@@H](c2ccccc2)C2CC2)cc1 161909045 UDLJOBWRGGULQH-KRWDZBQOSA-N 277.323 3.657 30 20 CHED Cc1cnc([C@@H](C)NCc2ccc(C#N)cc2Cl)s1 162801267 HQYUSTWBMVYHBU-SNVBAGLBSA-N 291.807 3.827 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CCC[C@@H](C)[C@@H]1C 165184437 JLWVLCRONJCICD-HACGYAERSA-N 256.393 3.781 30 20 CHED CSCCCCC(=O)N[C@@H](C#N)c1ccccc1Cl 172550178 IAYAOBUJLOFZBR-ZDUSSCGKSA-N 296.823 3.554 30 20 CHED C=CCOc1ccc(OCc2noc3c2CCCC3)cc1 174235255 HVYXQTDNNQZSMX-UHFFFAOYSA-N 285.343 3.697 30 20 CHED C#CCCCNCc1cc(-c2ccccc2)cs1 174610948 KCSJCDADRGXBQS-UHFFFAOYSA-N 255.386 3.918 30 20 CHED C=CCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 174713924 CZUVTLYBLFLKPV-DOMZBBRYSA-N 261.340 3.701 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1cccc(OCC)c1 175466419 UZJOJISSZRWLKZ-ZDUSSCGKSA-N 261.365 3.619 30 20 CHED CCCc1ccc(NC(=O)c2cc(C#N)cs2)cc1 176869911 TUICEAYPWYHWBQ-UHFFFAOYSA-N 270.357 3.825 30 20 CHED CCN(CCCNCc1ccc(C#N)s1)c1ccccc1 176943135 SMCMLNANAVQVQW-UHFFFAOYSA-N 299.443 3.626 30 20 CHED N#CCCCCNCc1cnc(C2CCCC2)s1 178621866 XGMDXHSQUYYSER-UHFFFAOYSA-N 263.410 3.584 30 20 CHED CCO[C@@H]1C[C@H](/N=C/c2ccccc2O)C1(CC)CC 178705068 CLLMFRMPKCFFSW-KPIYYBAOSA-N 275.392 3.795 30 20 CHED N#CCCCCNC1(c2ccc(F)cc2F)CCC1 179988752 FOLYGNSOUIQZHJ-UHFFFAOYSA-N 264.319 3.627 30 20 CHED C=CCSCCN[C@@H](C)c1cc(F)c(F)c(F)c1 180458600 FKPJDSRNBKPZON-VIFPVBQESA-N 275.339 3.674 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1nc2cc(C#N)ccc2n1CC 181300253 VIYHNFUJQVVYDP-NEPJUHHUSA-N 298.390 3.549 30 20 CHED C[C@H](NCCCN1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 181513914 ATYAPLZDLTXCLL-ZACQAIPSSA-N 299.462 3.577 30 20 CHED C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(F)c1F 181959422 GOOLWTXZAOVDMX-JTQLQIEISA-N 290.288 3.826 30 20 CHED COCc1cccc(CNc2ccccc2O[C@@H](C)C#N)c1 182558885 ZOOZNOCTIUAESV-AWEZNQCLSA-N 296.370 3.736 30 20 CHED CCC(CC)n1nc(C(=O)Nc2ccc(C#N)cc2)cc1C 182877026 JQIDDRSDECRRAU-UHFFFAOYSA-N 296.374 3.677 30 20 CHED CCC[C@@H](CC)NC(=O)Nc1ccccc1O[C@@H](C)C#N 184334592 DRIVCJUBKRMDBH-QWHCGFSZSA-N 289.379 3.678 30 20 CHED CC#CCCCC(=O)NCC1(c2ccc(Cl)cc2)CC1 185438824 LJPXHLBJWOBDRE-UHFFFAOYSA-N 289.806 3.681 30 20 CHED CCOc1ccc(OC)cc1N[C@@H]1CCC[C@@H](C#N)C1 185746442 SKAWGIODELKMRJ-CHWSQXEVSA-N 274.364 3.588 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCOc2cccc3ccccc23)C1 185787582 XEIMBRQHFVQUKV-NVXWUHKLSA-N 294.398 3.891 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@H](C)c1nc2ccccc2n1C 187973018 TVARAJLDGVNEDY-SJKOYZFVSA-N 286.375 3.780 30 20 CHED C#CCOc1ccccc1NC(=O)N[C@@H](C)c1ccccc1 188035305 WWZGYEHHIZNRST-AWEZNQCLSA-N 294.354 3.581 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC([C@H]2CCCO2)CC1 189121628 HGSICHMVXFTILT-RDTXWAMCSA-N 284.403 3.510 30 20 CHED C=CC[C@@H](C(=O)O[C@@H]1CCc2cccnc21)c1ccccc1 189313088 QTUFGHHWPAJBMZ-IAGOWNOFSA-N 293.366 3.972 30 20 CHED CCN(CC)C(=O)[C@@H](C)S[C@H](C)c1cccc(C#N)c1 190904755 VBFABYSCLRHEIA-CHWSQXEVSA-N 290.432 3.609 30 20 CHED CN(CCSCCCCC#N)Cc1ccccc1 193625306 ITZMLMBTLBAENH-UHFFFAOYSA-N 262.422 3.545 30 20 CHED C[C@@]12CC3CC(C(=O)OCCCC#N)(C1)C[C@](C)(C3)C2 194247127 ZIFDPSNSBMPZNI-JOHJCKIYSA-N 275.392 3.830 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)Cc1cccc(F)c1 194591294 NTSIWTFXLOXGOG-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)CCC(C)C 216313534 ZHMPYNNDAUKDRP-UHFFFAOYSA-N 262.349 3.765 30 20 CHED N#Cc1ccc(NC(=O)CC2CCSCC2)c(Cl)c1 226347878 LCDAKQXBQJOHSH-UHFFFAOYSA-N 294.807 3.683 30 20 CHED N#Cc1ccc(CN2CCC[C@H]3CCC[C@H]32)c(Cl)c1 228719680 XWXSNPHPHBKFAR-CZUORRHYSA-N 274.795 3.976 30 20 CHED CC(C)(C#N)CC[S@@](=O)Cc1ccccc1Cl 232525847 OARHLNPTOFVNHJ-QGZVFWFLSA-N 269.797 3.529 30 20 CHED CCOc1c(Cl)cc(CNCCCCC#N)cc1OC 237015146 DCEIFPSQFQQGGJ-UHFFFAOYSA-N 296.798 3.531 30 20 CHED C=C(C)[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(F)c(F)c1 249064707 JZNSEERMMGSJSE-KFNAQCHYSA-N 281.346 3.739 30 20 CHED CCC(CC)[C@@H](O)C/N=C\c1c(O)ccc2ccccc12 255088573 KRYGBLALCUDACH-FUDBJYBQSA-N 285.387 3.761 30 20 CHED COc1ccccc1CN(C)[C@H](C)c1ccc(C#N)cc1 265453167 DRAWTFASABNLHG-CQSZACIVSA-N 280.371 3.760 30 20 CHED C=CCN(Cc1ccc(SC)c(OC)c1)C1CC1 271545661 ZLPYFWIXGPRLBF-UHFFFAOYSA-N 263.406 3.568 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1cc2ccccc2s1 275190963 FSWDFMTWVSHBSF-NSHDSACASA-N 274.389 3.790 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)CCC1 276912810 PKHKKVHUWXIEMW-HNNXBMFYSA-N 287.378 3.888 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc(C#N)cs2)CCCC1(C)C 278198788 DXNDASHLTAVEIL-AWEZNQCLSA-N 288.416 3.827 30 20 CHED Cc1csc(NC(=O)c2ccc(C(C)(C)C#N)cc2)n1 279798447 DFRKXGMUVLZORF-UHFFFAOYSA-N 285.372 3.505 30 20 CHED CCCOc1ccc(NC(=O)c2cc(C#N)oc2C)c(C)c1 280734364 KJZZWSJPPJDNSG-UHFFFAOYSA-N 298.342 3.809 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@@H](NCCCCC#N)C1 281206857 KPDHVRLHHWXQBI-HZPDHXFCSA-N 271.408 3.700 30 20 CHED N#Cc1cccnc1N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 283688093 ZYYQEIPVDOFQNZ-QZTJIDSGSA-N 287.366 3.778 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2cccc(C(F)(F)F)c2)no1 284922121 BSYDINUIVOYOQE-ZDUSSCGKSA-N 295.264 3.947 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1sc(-c2ccccc2)nc1C 286129966 QLJDMEXBAJGCOT-MRXNPFEDSA-N 299.399 3.997 30 20 CHED C=CCC1(c2nc(-c3ccc4nccnc4c3)no2)CCC1 288991603 JBEQTLUUAAQWKC-UHFFFAOYSA-N 292.342 3.678 30 20 CHED CC(C)(C#N)CCCN[C@@H](c1cccs1)C(C)(C)CO 289257702 CWDPWYYQVRCCDD-AWEZNQCLSA-N 294.464 3.727 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCCC(F)(F)C2)s1 291813835 YKRRWHUKPOUXDK-LLVKDONJSA-N 284.375 3.925 30 20 CHED C=CCCCCNC(=O)N1CC(C)(C)[C@H]1c1cccnc1 292446107 XMQLPVZEMBXGEG-OAHLLOKOSA-N 287.407 3.530 30 20 CHED Cc1cccnc1CCCN[C@@H](C)c1ccc(C#N)cc1 296274579 DTRDPGCZVHCBTC-HNNXBMFYSA-N 279.387 3.545 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H]2CCCCC2(F)F)c1 296494507 XUKLOVMPBXXEGI-CYBMUJFWSA-N 292.329 3.615 30 20 CHED Cc1cc(NC(=O)NCCCC#N)c2ccccc2c1 297358288 JVDXNHCWBFFZSR-UHFFFAOYSA-N 267.332 3.574 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(SC)cc1OC 298232124 BCSZWDAKXOPFOI-UHFFFAOYSA-N 279.405 3.958 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)N(C)Cc1ccc(C#N)cc1 298350186 HBZMYGKRYGODRQ-HNNXBMFYSA-N 299.418 3.835 30 20 CHED CC(C)CN(C(=O)c1cccc(CC#N)c1)C1CCCC1 298614913 LRJLKDYTFVZZJQ-UHFFFAOYSA-N 284.403 3.793 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1Nc1ccc(C#N)cn1 301851097 BDVHCEOCYNFRFH-SJKOYZFVSA-N 263.344 3.689 30 20 CHED CCOc1cccc(C/N=C(/N)Nc2ccc(CC)cc2)c1 303906767 WHWQLRUYEUAFOQ-UHFFFAOYSA-N 297.402 3.575 30 20 CHED N#CCOc1cccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 315644050 ZKLDOSKADVBDNO-GYFISPQKSA-N 296.414 3.503 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1coc2ccccc12 317684287 YGUBCNKPFWJQEQ-UHFFFAOYSA-N 292.294 3.565 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)C1 328903447 HXFZIYQWRKNPIZ-LOWDOPEQSA-N 298.452 3.762 30 20 CHED OC(C[C@H]1CCCCO1)=Nc1scnc1C1CC1 328906050 KLLCTFAJACNXHX-SNVBAGLBSA-N 266.366 3.568 30 20 CHED CSc1n[nH]c(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n1 329054825 HVOAXNVTOKPBOW-GMTAPVOTSA-N 294.424 3.721 30 20 CHED COCc1ncc(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)s1 329195086 UALMTQGDUPPJAH-QJPTWQEYSA-N 294.420 3.563 30 20 CHED Cc1nc(C2(/N=C(/O)CCC3CC3)CCCCC2)no1 329314263 RRBAZHZWAKZSOR-UHFFFAOYSA-N 277.368 3.684 30 20 CHED CO[C@@H]1CCC[C@H]1C/N=C(/O)c1occc1C(C)C 330477816 JNHHCUXVSRKXAO-WCQYABFASA-N 265.353 3.523 30 20 CHED CCN(C(O)=Nc1cccc(C#N)c1C)C1CCCC1 330543739 BBRIPHDSFXFOJS-UHFFFAOYSA-N 271.364 3.677 30 20 CHED Cc1ccc(/C(O)=N/[C@@](C)(C#N)CC(C)C)c(C)c1 330756713 HLYJUGVUJJTVQQ-MRXNPFEDSA-N 258.365 3.936 30 20 CHED C[C@H](NC(=O)N1CCCC(C)(C)CC1)c1ccc(C#N)cc1 332293532 JNJRFONACYIWNS-AWEZNQCLSA-N 299.418 3.841 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1F 334599930 FBVBSFLZFKBDND-LLVKDONJSA-N 266.291 3.537 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@]1(C)CC=CCC1 335136502 ZSMLLGZKAVGONA-KBXCAEBGSA-N 282.387 3.824 30 20 CHED C=C(C)CN(C)C(=O)c1nc2ccccc2cc1Cl 335494119 HYHZNRGQDNNSMU-UHFFFAOYSA-N 274.751 3.536 30 20 CHED Cc1ccc(-n2cnnc2S[C@@H]2CC[C@@H](C#N)C2)c(C)c1 336254949 HXYMCVJXUZMTIG-ZIAGYGMSSA-N 298.415 3.669 30 20 CHED CC1(C)CCCN(Cc2nc(C3CC3)cs2)[C@H]1C#N 336486754 YZNTWFSOYDJDPK-ZDUSSCGKSA-N 275.421 3.535 30 20 CHED N#CC[C@@H](CC(=O)NCCCC(F)(F)F)c1ccccc1 337914592 SIFNRKANFMEWPV-ZDUSSCGKSA-N 298.308 3.533 30 20 CHED CN(Cc1ccc(F)c(Cl)c1)[C@@H]1CC[C@H](C#N)C1 339127791 XTRJPOZBQOLIBW-CMPLNLGQSA-N 266.747 3.603 30 20 CHED CC1CCC(CNCCc2cccc(C#N)c2)CC1 341464083 PEFBNUSZZSZWSH-UHFFFAOYSA-N 256.393 3.517 30 20 CHED CC[C@H](c1ccc(F)cc1)N1CCC(C#N)(COC)CC1 341975011 ISXQPKMWBFRXFQ-MRXNPFEDSA-N 290.382 3.529 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(F)c1 342615190 GWBLHDPEMQEXDX-UHFFFAOYSA-N 265.328 3.527 30 20 CHED C[C@@H]1c2cc(F)cc(F)c2CCN1CCCCC#N 344229410 HCOFFDNHCBWMIL-LLVKDONJSA-N 264.319 3.578 30 20 CHED Cn1cc(NCc2cccc(C#N)c2)c(-c2ccccc2)n1 344325523 HQLOAPYWLVGSDS-UHFFFAOYSA-N 288.354 3.571 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2cccc(OCCCC#N)c2)C1 345189737 SFSYFWDBHZELKX-KGLIPLIRSA-N 286.375 3.744 30 20 CHED Cc1cccc(-c2noc(-c3cc(C#N)oc3C)n2)c1F 347251641 PBUVZJWRQFGYRA-UHFFFAOYSA-N 283.262 3.624 30 20 CHED CC[C@@H]1C[C@@H](CC(=O)N(CCC#N)C(C)(C)CC)CCO1 348541240 SHUDUEZHHILJKM-LSDHHAIUSA-N 294.439 3.513 30 20 CHED Cc1ccc2oc(-c3noc(CSCC#N)n3)cc2c1 350998643 SEMVJEYCNJLZHX-UHFFFAOYSA-N 285.328 3.548 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)NCC(C)(C)CCC#N 353553352 RQWJMYGTMPKPKY-ZDUSSCGKSA-N 281.444 3.830 30 20 CHED CSc1ccc(CSc2ccc(C#N)cn2)cc1 353723318 IMNAOMCJHCNZOH-UHFFFAOYSA-N 272.398 3.967 30 20 CHED CCN(CC1CCC1)C(=O)N[C@H](CCC#N)c1ccccc1 353992001 XVJICSLBCREGHC-QGZVFWFLSA-N 299.418 3.863 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)nc1 354975424 RSVMUCXIIFIEFE-UHFFFAOYSA-N 299.761 3.982 30 20 CHED Cc1cc(CCNc2ncccc2C#N)ccc1Cl 359952490 MVPFNUQTUJTFPI-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CCCCC1CCC(NC(=O)CCCC#N)CC1 360046732 HTFBZIPGCKKXCF-UHFFFAOYSA-N 250.386 3.545 30 20 CHED C=CCn1c(C)cc(C(=O)CN(C)[C@H](C)CCC)c1C 362229397 QWIPGTNIGWTKJT-CYBMUJFWSA-N 276.424 3.594 30 20 CHED COc1cccc([C@H]2C[C@H](C)CN2c2ccnc(C#N)c2)c1 367269056 GKTRWCFSNRLPFY-SCLBCKFNSA-N 293.370 3.549 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCCCCC#N 369183306 LHGCOKJWCMNWRV-WBVHZDCISA-N 299.418 3.658 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC1CCC1 376783147 RBKSFVIKFFVKBS-QZTJIDSGSA-N 296.414 3.865 30 20 CHED N#Cc1cnc(N2CC=C(c3ccccc3F)C2)c(Cl)c1 378431066 DLXQTFQEULUKDU-UHFFFAOYSA-N 299.736 3.649 30 20 CHED C=CCC(C)(C)CNCc1cc(Cl)ccc1[N+](=O)[O-] 381856921 LUYBXPYGLNDMFC-UHFFFAOYSA-N 282.771 3.940 30 20 CHED CSCC1CCC(NCc2ccc(C#N)cc2F)CC1 385369658 KLWPEZXBBFWFKD-UHFFFAOYSA-N 292.423 3.709 30 20 CHED N#Cc1ccc(CNCC[C@H]2C[C@H]3CC[C@H]2C3)s1 394218219 REIPVUCRUNEJDW-AVGNSLFASA-N 260.406 3.536 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1C#N 410556981 LLMXSAWAIAHSAN-RISCZKNCSA-N 274.339 3.852 30 20 CHED C=CCCC(=O)N1CCCc2ccc(Cl)c(F)c21 411100195 YFJQVZHZLLQSGI-UHFFFAOYSA-N 267.731 3.725 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)C(C)C 413822886 LTHCJYSQNNTUBU-DOTOQJQBSA-N 288.435 3.860 30 20 CHED N#CCCCN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 414107110 JNLVHTXNHPRINH-ZFWWWQNUSA-N 262.784 3.869 30 20 CHED CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 414190847 SXQSGGRVWZDXMB-DJSGYFEHSA-N 260.356 3.783 30 20 CHED C=CCC[C@@H](CCC)NCc1nccc(C(F)(F)F)n1 414237734 JNXKUEPMDJEQNC-LLVKDONJSA-N 287.329 3.720 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 416103056 OQMDWWHCRLFCOL-SKDZVZGDSA-N 296.414 3.878 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(C#N)c(C#N)c1C 421555391 IDNCJWNGTLWIBY-ZDUSSCGKSA-N 283.375 3.749 30 20 CHED CC[C@@H](N[C@H](CN)C1CCCCC1)c1ccc(C#N)cc1 423270072 WMBQUPHOHJKSJN-QZTJIDSGSA-N 285.435 3.507 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCCC1CCOCC1 425366001 NUZQXWDYHFUTFG-OAHLLOKOSA-N 286.419 3.758 30 20 CHED Cc1nn(C(C)C)cc1CN(C)[C@@H](C)c1cccc(C#N)c1 425367064 RVOUZERHOPDHRG-HNNXBMFYSA-N 296.418 3.837 30 20 CHED CCN(C(=O)[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 425518455 SBHPVJIALNWMQC-XJKSGUPXSA-N 270.376 3.737 30 20 CHED CCOc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1F 425959408 KEILMAKSSOOXST-INIZCTEOSA-N 290.382 3.739 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)CCCC(F)(F)F 427786834 HPGQUHVOPIDMHS-NSHDSACASA-N 288.313 3.525 30 20 CHED N#Cc1ccc(N2CCC(c3ncccc3Cl)CC2)cc1 428667763 XCKIKVCAJGQFQP-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(c2ccccc2)CC1 429893724 ZVKACLPFOLSWGA-UHFFFAOYSA-N 271.404 3.995 30 20 CHED Cc1nc(N2CC3(CCC3)[C@@H]2c2ccccc2)ccc1C#N 432143262 MBZQYVABVZJGET-SFHVURJKSA-N 289.382 3.993 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)CC1(C)C 432291523 LCSFYHXZMRTJKR-LLVKDONJSA-N 271.364 3.519 30 20 CHED C=CCC[C@@H](N=c1[nH]n2cc(C)nc2s1)c1ccccc1 434941365 BPAZCMKBMZXMDE-CQSZACIVSA-N 298.415 3.641 30 20 CHED C=CCC[C@H](NC(=O)c1cc(C#N)oc1C)c1ccccc1 436145792 JHLWTOXCBCWBGA-KRWDZBQOSA-N 294.354 3.897 30 20 CHED C=CC[C@H]1N(C(=O)c2c(O)cccc2F)CCCC1(C)C 436818539 VREQIAQGFAVNOP-CQSZACIVSA-N 291.366 3.738 30 20 CHED CC[C@H](CC#N)Nc1ncnc2sc3ccccc3c12 440670723 VNVVHEZODGYHJF-SNVBAGLBSA-N 282.372 3.949 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2ccccc2C(F)(F)F)C1 442722149 UTRKPPJCWDNAMD-WCQYABFASA-N 282.309 3.530 30 20 CHED COc1cc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1C#N 442838468 SQRYQAZNCCCTMS-RRQGHBQHSA-N 284.403 3.577 30 20 CHED COc1cc(CN(C)c2cccc(SC)c2)ccc1C#N 442841140 NGLCCBBNJVDHPN-UHFFFAOYSA-N 298.411 3.925 30 20 CHED Cc1cc(CNCCc2csc(C(C)C)n2)ccc1C#N 443964806 JFUYAOSGFOLHIG-UHFFFAOYSA-N 299.443 3.779 30 20 CHED COc1ccc(Cl)cc1CN1CCCC(C)(C)[C@H]1C#N 444717037 HPPFABBRECGTCG-OAHLLOKOSA-N 292.810 3.863 30 20 CHED C=CC[C@H]1N(Cc2ccc(COC)o2)CCCC1(C)C 446826646 JVRZDAKIXNTFNG-MRXNPFEDSA-N 277.408 3.993 30 20 CHED CC[C@@H](NCCC(F)(F)F)c1ccc(C#N)cc1 447587859 SEERMKWESRSZSS-GFCCVEGCSA-N 256.271 3.551 30 20 CHED Cc1ccc(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1C 447914837 QARGLXHSKTVKLS-OALUTQOASA-N 298.430 3.731 30 20 CHED C=CCC1(C(=O)NCc2cccc(C#N)c2)CCCCC1 448663692 IFORIUKBNLVKPT-UHFFFAOYSA-N 282.387 3.701 30 20 CHED C=CCCCC[C@H](C)NCc1ccccc1Cn1cncn1 449056439 PMJFEJIHGSPECR-INIZCTEOSA-N 298.434 3.551 30 20 CHED C=CCOc1ccc(CN[C@H](CC)[C@@H](O)CC)cc1Cl 449636592 DQVLVTCEEAHXHP-CABCVRRESA-N 297.826 3.544 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)NC(=O)CC3)CCCC1 449943252 YVDROGPRGAMJBX-UHFFFAOYSA-N 298.386 3.646 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2c2nccc(C#N)n2)cc1 450407892 JQIMQAUZTVGQAJ-KRWDZBQOSA-N 292.386 3.813 30 20 CHED Cc1cccc(Cl)c1CN(CCC#N)CC1CC1 450463934 UFNBZVVFFSSBBS-UHFFFAOYSA-N 262.784 3.774 30 20 CHED N#Cc1ccc(N2CCC(CF)CC2)c(Br)c1 450685736 LYLFZXMUONXCDY-UHFFFAOYSA-N 297.171 3.507 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1C[C@H](C(C)C)c2ccccc21 451233684 ZIQLWGVFIYLZMZ-MRXNPFEDSA-N 293.370 3.595 30 20 CHED C=CCCc1noc(-c2sc(CC(C)C)nc2C)n1 453249903 WAOUEDQZSURFDC-UHFFFAOYSA-N 277.393 3.819 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccccc1)CC(C)C 455312788 PRERJJUQZBHORS-UHFFFAOYSA-N 274.408 3.820 30 20 CHED CCOc1ccc(Cl)c(NC(=O)N[C@H](CC)CC#N)c1 455757859 PGCKYRJHFNYPAU-SNVBAGLBSA-N 295.770 3.552 30 20 CHED CC#CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 455993292 KYKJHNBHYQOZPW-NWDGAFQWSA-N 296.197 3.627 30 20 CHED CC(C)c1ncsc1NC(=O)[C@H](C)c1cccc(C#N)c1 456432889 FHJAXPDRWDLYKK-LLVKDONJSA-N 299.399 3.880 30 20 CHED C[C@@H]1CCc2sc(C(=O)NCC(C)(C)CC#N)cc2C1 457994713 YKTMBUSVSUYTGQ-LLVKDONJSA-N 290.432 3.543 30 20 CHED C[C@@H](CCCc1cccnc1)NCc1ccc(C#N)s1 459648454 LDEWFSOTUQRGSH-ZDUSSCGKSA-N 285.416 3.516 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H]1CC[C@H](C)C1 460554746 ZYXNRLUSUMIKOG-KBPBESRZSA-N 276.428 3.602 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@@H]1C 460958695 NNAMUOPUSZUAPX-MCIONIFRSA-N 276.428 3.602 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)[C@@H](C)COC 462313841 JKGAVWGPNZWZDL-JKSUJKDBSA-N 289.419 3.510 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)[C@@H](C)c1cccc(C#N)c1 463868698 XJULTCHKOODVGS-WMLDXEAASA-N 284.403 3.699 30 20 CHED CCC1(CC)CN(Cc2ccccc2C#N)CCS1 464570632 BQFXLOJJQCKCJT-UHFFFAOYSA-N 274.433 3.666 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H](C)C2(CCC2)C1 466328036 QCLAASNYDGIOAL-UONOGXRCSA-N 264.413 3.563 30 20 CHED C=CC[C@@H](C)NS(=O)(=O)c1ccc(C(C)(C)CC)cc1 466883171 ZUCUPJZBEKYTOQ-CYBMUJFWSA-N 295.448 3.617 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CSc2ccccc21 468005464 PTVFNVJKXMMZKS-SWLSCSKDSA-N 261.390 3.552 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cc(C)cc(C)c1 469942151 WFTUQDKNDHGMQM-UHFFFAOYSA-N 293.370 3.859 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](CC)C1CCOCC1 470496954 NBSQWFZUTHFZIJ-INIZCTEOSA-N 296.455 3.579 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1ccc2ccccc2c1 472774431 PUQSXJRPOQJRFW-GOSISDBHSA-N 269.388 3.599 30 20 CHED C=CCC[C@@H](O)CN(CC)[C@H](CC)c1ccccc1 472778070 MHKUYFUNFDJSSY-IAGOWNOFSA-N 261.409 3.787 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC1CCC1)CC1CC1 474654938 FYASIRMKMMPTFZ-CQSZACIVSA-N 278.440 3.953 30 20 CHED C[C@@H]1[C@@H](CNCc2cc(C#N)cs2)CCC[C@H]1C 481823872 LCTZVFCBQJDWMR-MBNYWOFBSA-N 262.422 3.782 30 20 CHED CC(C)CN(Cc1ccccc1)C(=O)c1ccc(C#N)s1 486891924 DZZREKXGHVKDJA-UHFFFAOYSA-N 298.411 3.918 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C#N)s1 487560024 MMQCXDIYKAWWHM-YPMHNXCESA-N 276.405 3.661 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3nc(C)c(C)o3)c2c1 488278376 COYMSPKOEGZHOY-UHFFFAOYSA-N 293.326 3.599 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CS[C@@H](C(C)C)C1 488558756 LQZHKTFCPMJVAG-XJKSGUPXSA-N 290.432 3.899 30 20 CHED N#Cc1cc(F)ccc1CN[C@H](Cc1ccccc1)C1CC1 495485478 WFLGJSURXVGVBF-LJQANCHMSA-N 294.373 3.808 30 20 CHED N#Cc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 497327322 KTQKQKWWZWQTNL-ZMSDIMECSA-N 282.387 3.647 30 20 CHED CC#CCCNC(=O)CC(c1ccccc1)c1ccccc1 498576766 VFOGCADTDNEMLJ-UHFFFAOYSA-N 291.394 3.738 30 20 CHED C=CCOc1ccc(CN2C[C@H](C)OC[C@H]2C)cc1Cl 508024100 DSTAOTMKBFZEGW-OLZOCXBDSA-N 295.810 3.514 30 20 CHED CCC(C)(C)C1CCC(CC(=O)N[C@@H](C)C#N)CC1 509288479 VJFJAGIHFMEQEG-HSBZDZAISA-N 264.413 3.647 30 20 CHED CCCN(CC#N)CCCOc1cccc(C(C)(C)C)c1 511741181 KNRBNODKQGSASE-UHFFFAOYSA-N 288.435 3.989 30 20 CHED C=C(CNC(=O)N1CCC[C@](C)(CC)C1)c1ccccc1 512685658 RMFPLAOMNQCNGX-SFHVURJKSA-N 286.419 3.922 30 20 CHED CC(C)N(CCC#N)C(=O)Cc1cc(Cl)ccc1Cl 520198479 JRARILZAVGXIKP-UHFFFAOYSA-N 299.201 3.687 30 20 CHED N#CCN(CCOc1ccc2ccccc2c1)C1CCCC1 524596460 DQJFSBNPRJXNIU-UHFFFAOYSA-N 294.398 3.987 30 20 CHED CCC(C#N)(CC)c1nc(-c2cccc(Cl)c2)no1 528070837 ZRHSUAUYQNRLHT-UHFFFAOYSA-N 275.739 3.971 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)c1cc(C#N)oc1C 529799805 GVTUDENYGRHSDR-OAHLLOKOSA-N 296.370 3.601 30 20 CHED N#Cc1cccc(CN2CCSC3(CCCCC3)C2)c1 531426642 RQKVIGUTDCPMCI-UHFFFAOYSA-N 286.444 3.810 30 20 CHED CC[C@H](CNCc1cccc(C#N)c1)Oc1cccc(F)c1 531478600 SPBYXEGBMYRZPJ-QGZVFWFLSA-N 298.361 3.645 30 20 CHED CC1CC(C#N)(C(=O)NCCc2ccc(C(C)(C)C)cc2)C1 531556757 CQCVNXHHNKVEIH-UHFFFAOYSA-N 298.430 3.583 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@@H](C)C(C)(C)C 538295702 CZMXKAJPMGZRHT-AWEZNQCLSA-N 269.429 3.642 30 20 CHED CC(C)CCCS[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C 540716430 QGDHYCWLKPMXMR-HIFRSBDPSA-N 284.469 3.599 30 20 CHED CC(C)(C)[C@H](CC1CCCCC1)NC(=O)NCCCC#N 543342707 MQGCDZJXEFJLJC-HNNXBMFYSA-N 293.455 3.974 30 20 CHED Cc1ccc(CCCSc2cc(C#N)ccn2)cc1 544082491 CEMWYDTYULUCDO-UHFFFAOYSA-N 268.385 3.987 30 20 CHED CC1(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]2C[C@@H]2C1 549684993 BHYWWEAZODJRKO-CHWSQXEVSA-N 282.387 3.862 30 20 CHED CCc1ccccc1C(=O)Nc1ccccc1CC#N 549716443 ZJJIJCCHSKQLAR-UHFFFAOYSA-N 264.328 3.567 30 20 CHED CCCN(CCCCCF)Cc1ccc(C#N)cc1 551382457 ARCIFHSMORXLJO-UHFFFAOYSA-N 262.372 3.910 30 20 CHED CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC)CC[C@H]1c1ccccc1 552068960 WUHGOSRLCFLWEJ-SZVBFZGTSA-N 298.430 3.969 30 20 CHED C[C@@H]1COCC[C@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 553650177 LGKIWUCYKHYDAK-PWSUYJOCSA-N 298.308 3.662 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)C1CC1 556853454 SNEZUGIVGPXKLN-WMLDXEAASA-N 286.419 3.614 30 20 CHED Cc1c([C@H](C)N=c2cc[nH]c(C#N)c2)oc2ccccc12 557507867 CBTHEPXHTORDCX-LBPRGKRZSA-N 277.327 3.603 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 558579819 ZVVNIQFBFKMCGZ-AMIZOPFISA-N 297.185 3.720 30 20 CHED Cc1ccc(C[C@H](C)Nc2cc(C#N)ccn2)c(C)c1 561194024 VVLCNRCXUXPWEW-AWEZNQCLSA-N 265.360 3.613 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@H](C)CCCC 561379730 NHJJMWVJLAVIAP-FPCVCCKLSA-N 253.430 3.772 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 561838797 GRVNDHLRWKQXLT-AWEZNQCLSA-N 293.370 3.871 30 20 CHED C=C(C)CCNC(=O)N[C@@H](c1ccccc1)C(F)(F)F 564637308 VEYQSSQDRCNPNW-LBPRGKRZSA-N 286.297 3.555 30 20 CHED C=CCn1c(S[C@@H](C#N)c2ccccc2)nnc1C1CC1 566496105 AIPBGIAZYMVGNG-AWEZNQCLSA-N 296.399 3.698 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 568700148 ZTBMNPWLSNODJB-FHWLQOOXSA-N 298.430 3.729 30 20 CHED CC(C)(C#N)c1ccccc1CSc1nc2c([nH]1)CCC2 571019543 RUQUMMUFOSLRKL-UHFFFAOYSA-N 297.427 3.992 30 20 CHED N#CCCC1CCN(Cc2cccc3[nH]ccc23)CC1 571047915 SVLMUWIRAIAXND-UHFFFAOYSA-N 267.376 3.684 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c1 572109729 GAMHOVHXONAHOA-VNHYZAJKSA-N 295.386 3.507 30 20 CHED Cc1c(Cl)cnc(N[C@H]2COCc3ccccc32)c1C#N 572500416 NDZLIFVNIAJNAL-HNNXBMFYSA-N 299.761 3.599 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2COc3ccccc32)CCCC1(C)C 573035203 YBDAAMQPUGSWCT-NVXWUHKLSA-N 299.414 3.756 30 20 CHED CCC[C@H](C#N)NC(=O)C(C)(C)Cc1ccc(Cl)cc1 576564285 SXLLUIUODMOGPQ-CQSZACIVSA-N 292.810 3.717 30 20 CHED C=CCCCCS[C@H](C)C(=O)NCc1cccs1 578227057 LSJLHTKONZLOAX-GFCCVEGCSA-N 283.462 3.842 30 20 CHED CCC(CC)N(C(=O)NCC(C)(C)CCC#N)C1CC1 578462438 LHCLSUVZPYFHJL-UHFFFAOYSA-N 279.428 3.679 30 20 CHED Cc1cccc(-c2noc(Cc3c(F)cccc3C#N)n2)c1 579887470 GBBDEYIEPZUGRL-UHFFFAOYSA-N 293.301 3.647 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCC[C@@H](N2CCCC2=O)C1 582252803 SBXPHVOARAHLDC-YESZJQIVSA-N 292.467 3.645 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N[C@H](C#N)C(C)(C)C 583442309 ZEMFAKCKPGQRTM-UONOGXRCSA-N 264.413 3.813 30 20 CHED Cc1cncc(C(=O)/C=C\c2ccc(O)c(Cl)c2)c1 588476223 IQZUCQWRCQPINF-RQOWECAXSA-N 273.719 3.645 30 20 CHED CC1(C)C[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)CCO1 590780301 FGLDHKJOERKZFA-YJBOKZPZSA-N 298.430 3.730 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccccc2)C1 592136383 QDRVPXALTBCYOY-KXBFYZLASA-N 292.382 3.773 30 20 CHED CC[C@@H](C#N)N(C)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 594091994 QYQDRPPVGAHFNQ-GVDBMIGSSA-N 284.403 3.721 30 20 CHED CCCCCOc1ccc(Oc2cc(C#N)cnn2)cc1 596056309 RNFILOGDEPHMSY-UHFFFAOYSA-N 283.331 3.710 30 20 CHED CC1(C)C[C@]1(CN[C@H]1CC[C@H](C#N)C1)c1ccccc1 596115660 DBBGRBGLVIQEOB-ZVZYQTTQSA-N 268.404 3.636 30 20 CHED CCCc1ccc(CCCC(=O)N(C2CC2)[C@H](C)C#N)cc1 598136344 FSJRSNNDQNXKEO-OAHLLOKOSA-N 298.430 3.865 30 20 CHED Cc1csc(NC(=O)CC2(C#N)CCCCC2)c1C#N 598836562 MRZNNGUWRHQGPX-UHFFFAOYSA-N 287.388 3.731 30 20 CHED N#CCCCCCC(=O)Nc1nccnc1-c1ccccc1 602332006 CKNQAOPKVRKMIT-UHFFFAOYSA-N 294.358 3.556 30 20 CHED C[C@@H](CCC#N)CN1CC[C@H](c2ccccc2F)C1 602474701 MZMCKYJVLSPSGB-KBPBESRZSA-N 260.356 3.555 30 20 CHED CCc1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1 602482554 DHDXGEGOEBMIRN-CQSZACIVSA-N 272.392 3.760 30 20 CHED CCCCc1ccc(C(=O)NCc2cccc(C#N)c2)cc1 603510679 ZQJKXQFBPCVEHY-UHFFFAOYSA-N 292.382 3.831 30 20 CHED CN(C(=O)Nc1cccc(C#Cc2cccs2)c1)C1CC1 605908356 VYLNQMDVLUBEDM-UHFFFAOYSA-N 296.395 3.774 30 20 CHED C=CCCN1CCN(Cc2ccc(C(C)C)cc2)CC1 606896315 FXOBUMNEWDJWSB-UHFFFAOYSA-N 272.436 3.504 30 20 CHED C=CCNC(=O)C1(Cc2cccc(Cl)c2)CCCC1 607618147 GOVJQJCGERNNCG-UHFFFAOYSA-N 277.795 3.745 30 20 CHED Cc1ccc(-c2csc(CN[C@H](C)CC#N)n2)cc1 609449264 RQZNIRDVEJSGLD-GFCCVEGCSA-N 271.389 3.510 30 20 CHED C=CCSCc1cc2c(cc1Br)OCO2 609633987 QATXRZIPJNHERM-UHFFFAOYSA-N 287.178 3.597 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H]1C1CCCCC1 610211112 VBIFHIUPKLGWDA-ZBFHGGJFSA-N 285.347 3.847 30 20 CHED Cc1ccc2oc(=N[C@H](C)c3cccc(C#N)c3)[nH]c2c1 610340445 XAFOIDSMEQWZCJ-GFCCVEGCSA-N 277.327 3.603 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1cccc(C#N)c1 610348894 YIOTYPHOVCTORF-FRFSOERESA-N 299.418 3.887 30 20 CHED C[C@@H](NC(=O)NC1CCCCCC1)c1cccc(C#N)c1 610356133 JYUAYTYHGFJUJV-CYBMUJFWSA-N 285.391 3.641 30 20 CHED C[C@H](NC(=O)NC[C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 610356837 AUMZXIAZGBMATF-YCPHGPKFSA-N 299.418 3.745 30 20 CHED CC[C@H]1c2ccccc2CCN1CCC(C)(C)C#N 611462629 XDJAAZVBIRYONN-INIZCTEOSA-N 256.393 3.936 30 20 CHED CC(C)(C#N)CCCS(=O)(=O)c1ccc(Cl)s1 611526982 BXRNNJSPNPWKLX-UHFFFAOYSA-N 291.825 3.505 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(C(F)(F)F)cc2)C1 612162469 MICPYKVEKVETAV-CQSZACIVSA-N 282.309 3.831 30 20 CHED C[C@H](CC(F)(F)F)N[C@H]1CCCc2cc(C#N)ccc21 613516458 QMDKMCZSVCJDNI-YGRLFVJLSA-N 282.309 3.866 30 20 CHED C=CCN(CC=C)C(=O)NCc1cc2c(s1)CCCC2 616138394 IAOUYJPQXLEINE-UHFFFAOYSA-N 290.432 3.511 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2F)C1 617783202 VVTYOTQGMQXEKN-SNVBAGLBSA-N 283.293 3.532 30 20 CHED CC(C)C[C@H](C#N)NC(=O)Cc1cccc(Cl)c1Cl 619111541 DZBQVYDJCCDTOP-LLVKDONJSA-N 299.201 3.590 30 20 CHED CC(C)c1occc1C(=O)N[C@H]1CCc2cc(C#N)ccc21 619506328 BJGRAKLSZZLLHC-INIZCTEOSA-N 294.354 3.692 30 20 CHED C=CCN(Cc1cccc2ccccc12)[C@@H](C)COC 621317731 WOMSOQNSFMSEIZ-HNNXBMFYSA-N 269.388 3.863 30 20 CHED C=CCC1(C(=O)N2CC(Cc3ccsc3)C2)CCCC1 622253845 VVPWKCVLLDUFKD-UHFFFAOYSA-N 289.444 3.886 30 20 CHED C=CCN(Cc1cccc2c1CCOC2)C(C)(C)C 639826901 FLVPHJFNDDUCNV-UHFFFAOYSA-N 259.393 3.546 30 20 CHED C=CCOc1cccc(CNC2(C3CCC3)CC2)c1 651959333 IOSNFLBKLTYSFI-UHFFFAOYSA-N 257.377 3.674 30 20 CHED C=CCCN[C@@H](c1cccc(OC(C)C)c1)C(F)F 658115951 XXNNDJCJWVSRTA-AWEZNQCLSA-N 269.335 3.946 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](CC=C)C1 660990826 IDEGRPTUGIGAKQ-HUUCEWRRSA-N 264.413 3.729 30 20 CHED C=CCCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1 661033742 KTXGAIHVISPLIN-OAHLLOKOSA-N 276.355 3.638 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(-c2cc[nH]n2)c1 666728209 IXGRZLNGEAZXQJ-UHFFFAOYSA-N 298.390 3.943 30 20 CHED C#CCN(C(=O)[C@@H]1CCCC1(C)C)C1CCCCC1 688792828 GVAPZCZAMIWWRX-HNNXBMFYSA-N 261.409 3.607 30 20 CHED C#C[C@H](NC(=O)c1cccc2ccsc12)C(C)(C)C 702251348 VCAYRYMFNXDXCE-ZDUSSCGKSA-N 271.385 3.679 30 20 CHED CCc1occc1C(=O)Nc1ccc(Cl)cc1C#N 702427401 BZGHKEJVPPZUCK-UHFFFAOYSA-N 274.707 3.619 30 20 CHED N#Cc1cccc(CN2CC[C@H](C3CCCCC3)C2)c1 708834310 FAQFELXPSBMYQR-SFHVURJKSA-N 268.404 3.960 30 20 CHED CCCCCCCCCCN1CC(F)(F)C[C@H]1C(=O)O 713613736 BPKMODVVBJLTMR-ZDUSSCGKSA-N 291.382 3.921 30 20 CHED CC[C@](C)(C#N)C(=O)NCCc1ccc(Cl)c(Cl)c1 716319166 VOCQNMNEKXMEEA-CQSZACIVSA-N 299.201 3.592 30 20 CHED C#Cc1cccc(NC(=S)N2CCc3ccc(F)cc32)c1 726486903 WNTJRLVOSYSVBX-UHFFFAOYSA-N 296.370 3.567 30 20 CHED C#CCCCOC(=O)c1cnn(-c2ccccc2)c1C(C)C 727041070 XAUXQKZFLINGQZ-UHFFFAOYSA-N 296.370 3.566 30 20 CHED CN1/C(=C/C=NNC2CCCC2)C(C)(C)c2ccccc21 727652983 ZGZCCIFEFPQXBQ-HMGXJIJLSA-N 283.419 3.816 30 20 CHED CCCCCCCOC(=O)c1cnc2onc(CC)c2c1 728101598 PEIKZAXMOVQIHF-UHFFFAOYSA-N 290.363 3.912 30 20 CHED C=C(Br)CN1CCC[C@H](Cc2ccccc2)C1 730062735 QQZWPCNSLMRDKT-OAHLLOKOSA-N 294.236 3.850 30 20 CHED C#CCOc1cccc(NC(=O)CC2=CCCCC2)c1 730979681 YCCGGJKNPUZBBK-UHFFFAOYSA-N 269.344 3.528 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H]1CCc2c(Cl)cccc21 732506819 LYPRKMZMUMESFN-IAQYHMDHSA-N 294.778 3.852 30 20 CHED C#CC[C@H](OC(=O)c1cc2ccsc2[nH]1)c1ccccn1 733691503 URZXZHFEXNWGHS-AWEZNQCLSA-N 296.351 3.546 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1cccc(C)c1C 734298622 IWVANBQQQFPYAQ-UHFFFAOYSA-N 268.364 3.546 30 20 CHED Cc1ccc(C=NNc2c(F)cccc2F)cc1F 735615745 XGJADVFSOWAHAU-UHFFFAOYSA-N 264.250 3.858 30 20 CHED CCCCCCCCN1CCC2(CC1)C[C@H]2C(=O)OC 740878207 UAUOAYQXUJJOBR-HNNXBMFYSA-N 281.440 3.622 30 20 CHED CCC(=NNC(=S)Nc1cccc(Cl)c1)C1CC1 741161951 NOCUAMJFJUKHRK-UHFFFAOYSA-N 281.812 3.802 30 20 CHED C=C(C)CNC(=S)N1C[C@H](C)C[C@H]1c1ccccc1F 743010860 ZKODBVJPTMAAHG-DOMZBBRYSA-N 292.423 3.659 30 20 CHED C#CCOc1ccc(NC(=O)N[C@@H](C)C[C@@H](C)CC)cc1 743152574 ZZMASRVITNMGHJ-KBPBESRZSA-N 288.391 3.645 30 20 CHED C=CCN(C(=O)N[C@H](c1nc(C)cs1)C1CC1)C(C)C 745863103 BZDHGXRECMVRCZ-ZDUSSCGKSA-N 293.436 3.509 30 20 CHED CCCCCCCCCNC(=O)N(C)C1CCOCC1 746414471 XIELHZKFBBXUQO-UHFFFAOYSA-N 284.444 3.557 30 20 CHED Cc1nc(Cl)cc(NN=C2C[C@@H](C)C[C@H](C)C2)n1 747763472 GJWKEEUOONFASA-IUCAKERBSA-N 266.776 3.662 30 20 CHED COc1ccc(CCNN=C2C[C@@H](C)C[C@@H](C)C2)cc1 747764596 PTSGBLNYDQJLAS-OKILXGFUSA-N 274.408 3.639 30 20 CHED C=CCCCC(=O)Nc1ccc2c(cnn2C(C)C)c1 748322956 ZVMNCOWONKPLLT-UHFFFAOYSA-N 271.364 3.912 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)OCc2ccc(C#N)cc2F)C1 750242234 QAGQCAKQJRSHAH-QWHCGFSZSA-N 289.350 3.957 30 20 CHED CCCCCCCCCNC(=O)NC1CCSCC1 750331927 OEXMCRGOBDSGLD-UHFFFAOYSA-N 286.485 3.932 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1cc(C#N)cs1 752183640 HXUZIEKDKHKJCR-JFGNBEQYSA-N 263.362 3.601 30 20 CHED C=CC[C@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1ccncc1 753617066 IOJDODLEEWNLSH-WMGVVHKYSA-N 270.376 3.561 30 20 CHED CCn1nccc1C=NNc1c(Cl)cccc1Cl 753707290 FXMHTKKLRUNUMK-UHFFFAOYSA-N 283.162 3.656 30 20 CHED N#Cc1ccccc1C=NNc1ccc2ccccc2n1 755489592 XCRSGIGGOPXIFJ-UHFFFAOYSA-N 272.311 3.552 30 20 CHED CC(=NNc1ccc(Br)cc1)C1CCOCC1 755892229 DYLBDXSVJAVQMY-UHFFFAOYSA-N 297.196 3.664 30 20 CHED Cc1ccnc(NN=Cc2cc(C)c(C)cc2C)c1 755900561 LKINJMJUMUVPJZ-UHFFFAOYSA-N 253.349 3.761 30 20 CHED C[C@@H](C=NN=c1cc[nH]c2ccccc12)c1ccc(F)cc1 756890133 RSBHZHPVELMHTO-ZDUSSCGKSA-N 293.345 3.997 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(N(C)CCCC)cc1 757236133 URTGMZNHSHXFTH-ZDUSSCGKSA-N 275.396 3.619 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(F)ccc2F)c(O)c1 757472585 PENKMZXSXMKEQC-FARCUNLSSA-N 290.265 3.575 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc3c(C)cccn23)c(O)c1 757476302 PNELOCGRKZLZGU-VURMDHGXSA-N 292.338 3.553 30 20 CHED Cc1cc(C)nc(NN=Cc2cc3ccccc3s2)n1 758354851 NTKIQDFTEWQKMQ-UHFFFAOYSA-N 282.372 3.754 30 20 CHED FC(F)CON=Cc1ccc(Cl)c(Cl)c1 758899722 LSTFAYDSDVBHFY-UHFFFAOYSA-N 254.063 3.609 30 20 CHED CC#CCCOC(=O)c1cncc(-c2cccc(C)c2)c1 760290163 PTNBVBGNNUZXGC-UHFFFAOYSA-N 279.339 3.627 30 20 CHED N#Cc1ccc(NC2CCC(O)(c3ccccc3)CC2)cc1 760596657 LPBGBFSIWZNAQK-UHFFFAOYSA-N 292.382 3.801 30 20 CHED C=CCCC(=O)COC(=O)CC[C@@H](C)c1ccccc1 761425387 DVTOVFOZVAWBMK-CQSZACIVSA-N 274.360 3.649 30 20 CHED Cn1cc(NN=Cc2cccc(Oc3ccccc3)c2)cn1 761860660 NKDGLYFNQYEYHN-UHFFFAOYSA-N 292.342 3.658 30 20 CHED C#CCCc1noc(-c2cc(-c3ccc(Cl)cc3)on2)n1 762013784 IFVDRGBHYFPKOJ-UHFFFAOYSA-N 299.717 3.611 30 20 CHED N#CC1(OC(=O)CCc2ccc3ccccc3c2)CCC1 762091580 MSSLISXDESQZMW-UHFFFAOYSA-N 279.339 3.762 30 20 CHED C=C(Br)CN(C)Cc1ccc(Cl)c(F)c1 762928880 YVUGDVPXIQGFJM-UHFFFAOYSA-N 292.579 3.820 30 20 CHED Cc1cc(F)ccc1C=NNc1ncnc2ccsc12 764836412 ZXKCGGZUVQTZMP-UHFFFAOYSA-N 286.335 3.585 30 20 CHED Fc1ccc2c(c1)C(=NNc1ncnc3ccsc13)CC2 764842381 ZWBFNKGSXJJLFQ-UHFFFAOYSA-N 298.346 3.593 30 20 CHED COc1ccc(CCNN=C2CC[C@@H](C)[C@@H](C)C2)cc1 767377986 CXCGOBIYRFIKDJ-KGLIPLIRSA-N 274.408 3.639 30 20 CHED Cc1ccc(CCn2ccc(-c3ccc(C#N)cc3)n2)cc1 767934564 ZDHRRCULINTPBB-UHFFFAOYSA-N 287.366 3.973 30 20 CHED CCc1ccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)s1 769823308 XWKPUAZECAQYCR-UHFFFAOYSA-N 293.323 3.804 30 20 CHED CC(Cc1ccncc1)=NNc1c(C)cccc1F 769841598 SYLZTDJNPIJCOW-UHFFFAOYSA-N 257.312 3.560 30 20 CHED C#CCN[C@@H](C)c1cccc(OCc2ccccc2)c1 769864272 JDWORHYSMOHJOV-HNNXBMFYSA-N 265.356 3.549 30 20 CHED c1ccc(-c2csc(NN=C3CCCOCC3)n2)cc1 770596897 QPLNGTUFCIVGAX-UHFFFAOYSA-N 287.388 3.779 30 20 CHED COc1ccc2cc([C@H](C)C(=O)OC[C@H](C)C#N)ccc2c1 770902121 UCYWBBJVEMAFLX-OLZOCXBDSA-N 297.354 3.655 30 20 CHED C=CCC[C@@H](NC(=O)OCC(F)(F)F)c1ccccc1 771910137 SQOCKKYTOFMJQL-GFCCVEGCSA-N 287.281 3.982 30 20 CHED C=CCC[C@H](NC(=O)NCC(=C)Cl)c1ccccc1 771988323 WEFNKGPAWHUFFI-AWEZNQCLSA-N 278.783 3.746 30 20 CHED CC1(C)CCC[C@H]1C(=O)OCc1ccc(C#N)cc1F 772598352 BOOHNCWADUEVJR-ZDUSSCGKSA-N 275.323 3.567 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNCc1ccc(C#N)cc1 773207773 KCSIRKIINOKERM-WMLDXEAASA-N 267.376 3.626 30 20 CHED C=C(CC)COC(=O)c1cc(C)n(CC(F)(F)F)c1C 773480858 FQJLMDUTHPITHS-UHFFFAOYSA-N 289.297 3.790 30 20 CHED N#CCCN(CCC#N)Cc1ccccc1-c1ccccc1 775964442 WAPDJTNSWJLYOT-UHFFFAOYSA-N 289.382 3.983 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(OC(C)(C)C)cc1 776393135 ZEPWYZAHEMDJOJ-UHFFFAOYSA-N 289.375 3.961 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCCC(C)(C)C#N 776396095 OTCFTPFQUXXHOW-NEPJUHHUSA-N 277.389 3.643 30 20 CHED C=CCC[C@@H](Nc1cc(OC)c(OC)cc1F)C1CC1 777291826 YXWRLQFOJUQPCV-CYBMUJFWSA-N 279.355 4.000 30 20 CHED CO[C@@H]1CCCCC1=NN[C@@H](Cc1ccccc1)C(C)C 777447863 KELSQGZQWPFHMQ-ZWKOTPCHSA-N 288.435 3.788 30 20 CHED N#Cc1ccc2c(c1)CCCC2=NOCCC(F)(F)F 777459188 HSHKIMJHELJTKT-UHFFFAOYSA-N 282.265 3.568 30 20 CHED C=CC[C@@H](C(=O)OCc1cccc(C)n1)c1ccccc1 777742878 UPHJYBIISVMHAN-QGZVFWFLSA-N 281.355 3.793 30 20 CHED C=C(C)CNC(=O)Cc1ccc(OCCCCCC)cc1 777834258 VZNXSMDCTAQIDU-UHFFFAOYSA-N 289.419 3.881 30 20 CHED Cc1ccc(F)cc1C=NNc1ncnc2ccsc12 777888387 OXVRTUHZBBHIQQ-UHFFFAOYSA-N 286.335 3.585 30 20 CHED C=CC[C@H](C(=O)OCc1ccc(CO)cc1)c1ccccc1 778429997 ZMJFVAGQSYZUTF-SFHVURJKSA-N 296.366 3.582 30 20 CHED CC(=NNc1ncncc1Cl)c1csc(C(C)C)n1 780278988 INZRTIVMZFZUFX-UHFFFAOYSA-N 295.799 3.546 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)c2cncc(F)c2)cc1 781921519 FBSCBEOOHYJQNM-KBPBESRZSA-N 298.361 3.645 30 20 CHED COc1ccc(NN=Cc2cc(Cl)cs2)cc1 782255325 SJYIDHUZYHLHNW-UHFFFAOYSA-N 266.753 3.856 30 20 CHED O=[N+]([O-])c1ccc(CON=Cc2cccs2)c(Cl)c1 782309079 UPBARMNKMHHILF-UHFFFAOYSA-N 296.735 3.860 30 20 CHED CCCC[C@@H](NCc1ccc(C#N)cn1)c1ccccc1 783292995 FKWIQNXNRDNQQW-GOSISDBHSA-N 279.387 3.974 30 20 CHED C=C(CN[C@@H](C)c1ccccc1O)c1ccccc1 783504773 KRRRSSSINVZXPM-AWEZNQCLSA-N 253.345 3.756 30 20 CHED Cc1cc(C=NNc2ccc(C#N)cc2)cc2cccnc12 783826659 LPGZLTRIPARPCS-UHFFFAOYSA-N 286.338 3.861 30 20 CHED C#Cc1cccc(NC(=O)C2(Cc3ccccc3F)CC2)c1 785489814 OZLUJSWUBNBJBF-UHFFFAOYSA-N 293.341 3.768 30 20 CHED C#CCN(Cc1ccc(C(F)(F)F)cc1C)C1CC1 785980374 XSGRIYCSOUVFTN-UHFFFAOYSA-N 267.294 3.611 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 787143390 GLBIQCZCKNJQRG-GHMZBOCLSA-N 298.791 3.584 30 20 CHED C#CCCOc1ccc(CN2CCCC[C@@H]2C=C)cc1 787309737 LRYQRYGVFRDJNU-KRWDZBQOSA-N 269.388 3.629 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cc2cc(Cl)ccc2o1 788034279 PXPHQWPKDZZVFN-LLVKDONJSA-N 293.750 3.863 30 20 CHED CC1(C)C(=NOCc2cccnc2)C[C@@H]1Oc1ccccc1 789034063 MOEHBXVGRGBCMY-KRWDZBQOSA-N 296.370 3.832 30 20 CHED CCC(=NOCc1ccc(C(F)(F)F)cc1)c1cn[nH]c1 789034184 MVNRFJXHQMKXEP-UHFFFAOYSA-N 297.280 3.759 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccc([N+](=O)[O-])s2)CC1 790181573 RSIQBIFELCTTKT-UHFFFAOYSA-N 295.408 3.748 30 20 CHED CC[C@H](C)NN=C1CCCCC[C@H]1NC(=O)OC(C)(C)C 790186877 CLEZRCDZWYDTEZ-QWHCGFSZSA-N 297.443 3.588 30 20 CHED CC(=NNc1ncccc1C)c1c(Cl)nc2ccccn12 790193228 ZCRGBJXBBCMHQP-UHFFFAOYSA-N 299.765 3.527 30 20 CHED C=CCC1(C(=O)Oc2ccc(Cl)cc2)CCC1 790227396 IJKBFDIKFQHIDP-UHFFFAOYSA-N 250.725 3.992 30 20 CHED CCCCCCCCCONC(=N)C1CCOCC1 790506209 OXSLZVIVACVFJX-UHFFFAOYSA-N 270.417 3.662 30 20 CHED N#CC1(N(C(=O)[C@H](F)CC2CCCCC2)C2CC2)CCC1 791002055 AZEJQEQEHULXBC-OAHLLOKOSA-N 292.398 3.732 30 20 CHED C=C(Cl)COC(=O)c1cnn(C(CC)CC)c1CC 791580776 FPWXRRLNSGRWIY-UHFFFAOYSA-N 284.787 3.716 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1CCN2CCCC[C@H]12 793521615 CXBACIPXIXNEMH-YESZJQIVSA-N 264.457 3.728 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)cnc1Cl 793976682 PTDHFZVJDQWFFB-CYBMUJFWSA-N 290.794 3.793 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC(F)(F)CC1 794291288 SIJXPPLCWURESF-UHFFFAOYSA-N 297.370 3.836 30 20 CHED N#Cc1ccc(NN=CCc2cccc(Cl)c2)cc1 794897334 QIODZORNVCRTNE-UHFFFAOYSA-N 269.735 3.852 30 20 CHED Fc1cccnc1NN=Cc1cc(Cl)ccc1Cl 794983289 FTXCIKFYGWJYCW-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CCC(=NNc1ncccc1F)c1cc(F)ccc1F 794989692 AQBVIVALQUYTBM-UHFFFAOYSA-N 279.265 3.725 30 20 CHED CCOC1CC(CON=Cc2ccccc2OC(C)C)C1 795200508 LZVGZUNNDWOTED-UHFFFAOYSA-N 291.391 3.639 30 20 CHED C#CCCCCC(=O)OCc1ccc(Cl)cc1OC 795579430 UBBOHRNYODMUBE-UHFFFAOYSA-N 280.751 3.585 30 20 CHED COc1ccc2cc(N[C@H]3CC[C@@H](C#N)C3)ccc2c1 797022413 QPBRNGLWRGNXNJ-DOMZBBRYSA-N 266.344 3.953 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)NCC2(CC#N)CC2)cc1 797566033 SJFFQKYLEPEIDL-RMKNXTFCSA-N 296.414 3.807 30 20 CHED Cc1ccc(C(=O)NC2(c3ccccc3)CCC2)cc1C#N 799300416 VEXMNWMKAGOFJT-UHFFFAOYSA-N 290.366 3.676 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1cnoc1C 799484552 FSRDOBGFJUUHGN-KRWDZBQOSA-N 285.391 3.564 30 20 CHED COc1cccc2c1CC/C(=C/c1ccsc1)C2=O 799503021 UURQZPRDPYUQKP-XFXZXTDPSA-N 270.353 3.969 30 20 CHED CCc1ccccc1NN=C1CCC[C@H]1CCOC 799874813 AZARNZGAFXGQOE-AWEZNQCLSA-N 260.381 3.854 30 20 CHED C[C@@H](C#N)OCCNc1ccc(-c2ccccc2)cc1F 802741356 WBTUQIGPUNWAHJ-ZDUSSCGKSA-N 284.334 3.833 30 20 CHED C=CCCCCCCNC(=O)C[C@H]1CCO[C@@H](CC)C1 805218073 RAAWSJDGMLPKFP-HOTGVXAUSA-N 281.440 3.834 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@@H](c2ccco2)C1 806003561 KOSZRKGHDUBJGV-OAHLLOKOSA-N 290.407 3.915 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C/c2cn(C(C)C)nn2)cc1 806569496 CMPXFQURBPRSFE-MDZDMXLPSA-N 297.402 3.954 30 20 CHED CCO[C@H]1CC(=NNc2ccc([N+](=O)[O-])cc2C)C1(C)C 807992079 ZPKINUBHACKUPI-AWEZNQCLSA-N 291.351 3.506 30 20 CHED COc1ccccc1/C=C1/Cc2c(ccc(OC)c2F)C1=O 809155742 FBYJUYWLKONCTG-XFXZXTDPSA-N 298.313 3.665 30 20 CHED CCCCCCCC(=O)Nc1ccc2c(c1)C(=O)OC2 809201897 OTMPIMBIZVZFHM-UHFFFAOYSA-N 275.348 3.656 30 20 CHED C#C[C@@H](NCc1cccc(-c2cccnc2)c1)C(C)(C)C 809781494 SWVJEBVGYSCHHC-GOSISDBHSA-N 278.399 3.886 30 20 CHED CCC#C[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 810128046 JIMWUXCJLVNYOU-CVEARBPZSA-N 298.430 3.656 30 20 CHED CCOc1ccc(C=NOC/C=C/Cl)cc1OCC 811669926 WNPWTUUXOHIVGV-URNYPOLCSA-N 283.755 3.587 30 20 CHED C#CCCCCNC(=O)Nc1cccc(C2CCC2)c1 812994765 QSAQUORESRYRNH-UHFFFAOYSA-N 270.376 3.879 30 20 CHED C=CCCO[C@@H](C)C(=O)N(c1ccc(CC)cc1)C(C)C 813259382 FHELVQLNSFMQHW-HNNXBMFYSA-N 289.419 3.972 30 20 CHED CC(C)(C)c1cnc(C=NNc2ccc(C#N)cc2)s1 814802821 AGEMQIYXMPTGTR-UHFFFAOYSA-N 284.388 3.758 30 20 CHED Clc1ncccc1C=NNc1nccc2sccc12 814809253 UCWGKYWMFZSYDI-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)[C@@H](C)CCCCC(=O)O 814917466 LTTQKISUAMFRLU-JSGCOSHPSA-N 282.428 3.812 30 20 CHED c1ccc(C[C@H]2CCC(=NNC[C@H]3CCSC3)C2)cc1 814934903 DVCKYSKDSFSDPX-HZPDHXFCSA-N 288.460 3.728 30 20 CHED CCCC[C@@H]1CCCC1=NNc1nc(-c2cccnc2)no1 814947628 BCRGNWHUIUKXQM-GFCCVEGCSA-N 299.378 3.890 30 20 CHED CCc1ccc(N(CCOCCC#N)CC(C)C)cc1 815109337 ZUSXDSCTEZANEL-UHFFFAOYSA-N 274.408 3.642 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 815893464 GLTXSTHPHUFLOX-UHFFFAOYSA-N 296.100 3.849 30 20 CHED C#CCC1(OC(=O)c2nsc3ccc(C)cc23)CCC1 816053387 COFRWTCHNBRLFG-UHFFFAOYSA-N 285.368 3.708 30 20 CHED C=CCN(CCC#N)C(=O)/C=C/c1cc(C)c(C)cc1C 816803304 WHEUAGLQEANZFY-BQYQJAHWSA-N 282.387 3.553 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)OC1CCCC1 819917245 YUYVYYAUQHMRMQ-GFCCVEGCSA-N 272.348 3.630 30 20 CHED C#Cc1cncc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)c1 822349660 DIXQIBGWHUFPPQ-SFHVURJKSA-N 292.382 3.532 30 20 CHED C#C[C@H](NC(=O)Nc1scnc1C1CC1)c1ccccc1 831589014 QUKMMOOBLIIITL-ZDUSSCGKSA-N 297.383 3.517 30 20 CHED C=CCCC[C@H](C)OC(=O)c1ccc(NC(=O)O)cc1 833373924 JCMKZPYEPWZSAF-NSHDSACASA-N 277.320 3.678 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1cnn(C)c1Cl)C2=O 834434727 RPNMXRQPZDLJER-BNDQCTAISA-N 286.762 3.765 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1cc(C)nn1C 835018193 ICIFNSSRPVNBGM-UHFFFAOYSA-N 270.380 3.688 30 20 CHED CCC(CC)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 835104482 VOZNUYDRUCBHGQ-CYBMUJFWSA-N 299.399 3.818 30 20 CHED C[C@H](c1ccc(C(=O)OC2(C#N)CCC2)cc1)C(F)(F)F 835213048 SLDMRPAHARGFCB-SNVBAGLBSA-N 297.276 3.955 30 20 CHED N#Cc1cccc(C(=O)OC[C@@H]2CCCCC2(F)F)c1 835649476 YFAMQLLKYDXCGD-ZDUSSCGKSA-N 279.286 3.541 30 20 CHED C[C@H](Cc1cccc(F)c1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839047011 BUXWHAIHZDZFPU-XPKDYRNWSA-N 289.350 3.630 30 20 CHED C=CCC1(C(=O)OCc2cnc(C)nc2C)CCCCC1 839323378 UXYRMWNYYGSEAP-UHFFFAOYSA-N 288.391 3.663 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)C(C)(C)F)c2C#N)[C@@H](C)C1 839389956 UXMZBCMPLZJPRH-IUCAKERBSA-N 294.395 3.992 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H]1C 841223105 GAEMADKAFDTEPM-IWSPIJDZSA-N 297.811 3.679 30 20 CHED C=CCC(F)(F)C(=O)Nc1c(OC)cccc1SC 841374226 OPQYZXUNHVBDQT-UHFFFAOYSA-N 287.331 3.567 30 20 CHED CO[C@@H](C/N=C\c1cc(Cl)ccc1O)CC(C)C 841482689 UOAXYGOEIRJWOH-KHAFMBKQSA-N 269.772 3.526 30 20 CHED Cc1cc(/C=C2/C(=O)c3ccsc3S[C@H]2C)n(C)n1 841484747 BMDAKPBVOVVXAZ-SZUMLMDFSA-N 290.413 3.551 30 20 CHED CO[C@H](C=NNc1ccc2ccccc2n1)CC(C)C 841603256 AWUVPABJDIAXQM-AWEZNQCLSA-N 271.364 3.694 30 20 CHED CCC(=NNc1nc(C(F)(F)F)cs1)[C@@H]1C[C@@H]1C 841629674 RMOBPRQDXKGQMY-NKWVEPMBSA-N 277.315 3.996 30 20 CHED N#Cc1ccc(CNC(=O)/C=C/C2CCCC2)cc1Cl 843590453 IPSMHGWDPGXASL-SOFGYWHQSA-N 288.778 3.574 30 20 CHED CC(CCC(F)(F)F)=NNc1cccc(C(=O)O)c1C 844625106 VTRVJWAHYBXPDA-UHFFFAOYSA-N 288.269 3.824 30 20 CHED CCCCCCCCNC(=N)NC[C@H](C)C1CC1 849064331 PIRYJLIRTAQKLH-ZDUSSCGKSA-N 253.434 3.507 30 20 CHED C#Cc1ccc([C@@H](OC(=O)CCCF)C(F)(F)F)cc1 851076979 GHFZNSPSSQNHDJ-CYBMUJFWSA-N 288.240 3.564 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1nc(C)oc1C 851142155 GJLJWMMSNVYPKY-OLZOCXBDSA-N 263.337 3.583 30 20 CHED Cc1sccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851205790 LJKAVWJVKFGUSS-VIFPVBQESA-N 251.351 3.542 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cn1 851207684 GAWVWUZNSLABQP-LBPRGKRZSA-N 274.364 3.690 30 20 CHED CC(C)c1ccccc1NC(=O)[C@@H](C)ON=CC1CC1 853734507 CVKSIKDTCTVIHI-GFCCVEGCSA-N 274.364 3.549 30 20 CHED N#CCC1(CSCc2ccc(F)cc2C#N)CC1 853765682 OMLRRBMVHCBTDQ-UHFFFAOYSA-N 260.337 3.624 30 20 CHED CC(C)C#CC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 854430523 IGVVLVYMPSCHGQ-WBVHZDCISA-N 269.388 3.646 30 20 CHED C#CCCCC(=O)NCC1(Nc2ccccc2C)CCCC1 854829531 DXBLJAGAGVYIOE-UHFFFAOYSA-N 298.430 3.639 30 20 CHED C=C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 856729171 GHQBXFRYFVFEIL-UHFFFAOYSA-N 297.152 3.514 30 20 CHED Cc1cccc(-c2ccc([C@@H]3CCCN3)cc2)c1C#N 863689888 IAHUZHMYDQZVPH-SFHVURJKSA-N 262.356 3.958 30 20 CHED CCCCCCCCC(=O)OCC(=O)N1CCC[C@@H](C)C1 866458706 OYKHABWPRKIHQG-OAHLLOKOSA-N 297.439 3.539 30 20 CHED Cc1cccc(-c2ccn(CCC(C)(C)C#N)n2)c1 871790163 CVCASMFACNETRQ-UHFFFAOYSA-N 253.349 3.798 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H]1c1cccc(F)c1 879015636 FECRDPLMIFPKAG-CQSZACIVSA-N 261.340 3.701 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cnccc1C(F)(F)F 880966656 ZLMHHVXUWDSGEJ-JTQLQIEISA-N 299.296 3.673 30 20 CHED CSC1(CN[C@H]2CCC[C@@H](C#N)C2)CCCCC1 886740788 IYCLQKAUCYXPST-KGLIPLIRSA-N 266.454 3.724 30 20 CHED C#CCCCCC(=O)NCCC1CCC(F)(F)CC1 890059246 ASRNQAQBHDNRAU-UHFFFAOYSA-N 271.351 3.512 30 20 CHED C=C1CCC(C(=O)Oc2ccc(NC(=O)C3CC3)cc2)CC1 892535101 AEUHPMQOEQZEES-UHFFFAOYSA-N 299.370 3.687 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)Nc1ncc(C#N)s1 896492344 PKGWYDPPKVHZQB-GFCCVEGCSA-N 299.399 3.531 30 20 CHED C=CCCO[C@H](C)C(=O)N(O)Cc1cccc2ccccc12 901370373 YJBLWAOEOSAEIY-CQSZACIVSA-N 299.370 3.539 30 20 CHED CC1(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)CCC1 901379241 XVIFMQNZTOPHEW-UHFFFAOYSA-N 288.174 3.901 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C/c2cncn2C)c1 901507021 SEWDUJMSYBDQAH-BQYQJAHWSA-N 268.360 3.515 30 20 CHED N#CCCCCSc1nc(O)cc(-c2ccccc2)n1 901620051 YPSVVRZRLYZHRB-UHFFFAOYSA-N 285.372 3.635 30 20 CHED CC[C@H](CSC)N[C@H](CC)c1cccc(C#N)c1 902894759 PFKPRHVEIIEPTH-HUUCEWRRSA-N 262.422 3.741 30 20 CHED C=CCCC[C@H](N)c1nc([C@H]2CCC[C@H](C)C2)no1 904576160 GLVFJLNJHGKISD-AVGNSLFASA-N 263.385 3.719 30 20 CHED CCCCCCCC(=O)OCc1csc(C)n1 912569049 KFLPJCCWEFUQFB-UHFFFAOYSA-N 255.383 3.855 30 20 CHED Oc1ccccc1/C=N\Cc1ccc(N2CCCC2)cc1 915113077 MYQHLXYDEOGIFB-RGEXLXHISA-N 280.371 3.612 30 20 CHED CCc1ccc(C/N=C/c2c(O)cccc2OC)s1 915978418 DKTNNEGPDCDFQN-MHWRWJLKSA-N 275.373 3.644 30 20 CHED CCOc1ccc(C(C)=NNc2ccccc2)cc1 916246093 ZKBBASFWZJGOLV-UHFFFAOYSA-N 254.333 3.921 30 20 CHED O=[N+]([O-])c1cccc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 916268995 KTUNGRXYJJAODL-QZKOUSHUSA-N 285.347 3.819 30 20 CHED Cc1nnc(N2CCC(C3CCCCC3)CC2)c(C#N)c1C 917081851 JQBDTHVLXPNSAR-UHFFFAOYSA-N 298.434 3.762 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)C(C)C 917658955 IWIXAPRWKULSBA-ZDUSSCGKSA-N 295.810 3.839 30 20 CHED N#C[C@@H]1CCCN(C(=O)CCc2cccc3ccccc23)C1 928230962 DVFXYICGGMFGQR-HNNXBMFYSA-N 292.382 3.535 30 20 CHED N#CC1(CCCCN2CCC[C@@H](OC3CCC3)C2)CCC1 930886541 VBQXDDVKYVLWLK-QGZVFWFLSA-N 290.451 3.884 30 20 CHED N#Cc1ccsc1NC(=O)N1CCC2(CCCC2)CC1 931835654 DWOCFWGZIBNGPB-UHFFFAOYSA-N 289.404 3.808 30 20 CHED CN(C(=O)Nc1sccc1C#N)[C@H]1CCC(C)(C)C1 931836639 DNXPQEGLFOHCQA-NSHDSACASA-N 277.393 3.662 30 20 CHED C=C[C@H](CC)CC(=O)NC1(c2nc(C)cs2)CCCC1 932674495 WHNRBDKXTPQTMA-CYBMUJFWSA-N 292.448 3.939 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C(F)F)cc1 933110579 MIIUMOADFFVQDR-SECBINFHSA-N 254.280 3.710 30 20 CHED N#CCc1cccc(NCCCc2c[nH]c3ccccc23)n1 1116661629 HVTOXRNYARYNKC-UHFFFAOYSA-N 290.370 3.674 30 20 CHED COC1(C(=O)OCC(C)(C)CCC#N)CCCCCC1 1122904486 JAZFKUGWNKKBOR-UHFFFAOYSA-N 281.396 3.599 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)c1ccc(Cl)s1 1127559202 VQIQYMPJLQZEDZ-ZETCQYMHSA-N 296.804 3.826 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 1134212569 UFZDMXLVSQDRIO-RCCFBDPRSA-N 298.430 3.796 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)Nc1ccc(C#N)cc1 1184781742 ASTJRSLWLLVZAQ-UHFFFAOYSA-N 293.370 3.924 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1C[C@H]1c1ccccc1F 1186670221 ZNJJVBMKNRIULG-GZMMTYOYSA-N 293.754 3.775 30 20 CHED N#C[C@H](C(=O)[C@H](F)CC1CCCCC1)c1cccc(F)n1 1263380983 GZZWXYBYCLFZFR-QWHCGFSZSA-N 292.329 3.705 30 20 CHED CC[C@@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H]1C 1312339722 ZQGFNQVTBQDYNW-UXLLHSPISA-N 299.418 3.861 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(OCCCC)cc1 1321715392 VQPMHAGQRFXOGW-HOCLYGCPSA-N 277.408 3.717 30 20 CHED C#CCCCCc1nnc(-c2cccc(OC(F)F)c2)o1 1322596867 XEQUHAULHNPOQF-UHFFFAOYSA-N 292.285 3.684 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1occc1C 1322669168 HMJZPSJDBQNSDQ-UHFFFAOYSA-N 272.352 3.512 30 20 CHED Cc1ccc([C@@H]2CCCN2c2cccc(CC#N)n2)cc1 1325710277 OHNJRJVYNAMZQF-KRWDZBQOSA-N 277.371 3.798 30 20 CHED C#CCCCCCC(=O)Nc1cnn(CCC)c1C1CC1 1330643006 GAPNLZCFZAWHEB-UHFFFAOYSA-N 287.407 3.693 30 20 CHED N#C[C@@H](NC(=O)CCc1cc(Cl)cs1)C1CCCC1 1332298381 XSUBKDPNTUKBOA-CYBMUJFWSA-N 296.823 3.533 30 20 CHED N#Cc1ccc(COC(=O)[C@H](F)CC2CCCCC2)s1 1332985632 QGVRWQRJJPHAGG-CQSZACIVSA-N 295.379 3.971 30 20 CHED Cc1cc(C(=O)N(c2ccccc2C#N)C2CCC2)c(C)[nH]1 1334260747 FHKQPOAWMWZVSE-UHFFFAOYSA-N 293.370 3.703 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](c1ccncc1)C1CC1 1341057077 ICAAMFHICSSRQF-IRXDYDNUSA-N 299.418 3.673 30 20 CHED C=C(C)Cn1c(N2CCC[C@H](CC)C2)nnc1C(C)(F)F 1342484135 QJRYHQWKCAZCAD-LBPRGKRZSA-N 298.381 3.592 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c(F)c1Cl 1344036547 SMNUZLZBXAETOL-VHSXEESVSA-N 281.714 3.637 30 20 CHED C[C@H](Cc1ccccc1Cl)NCC1(CC#N)CC1 1344464141 VRFQJEVYIPVHGE-GFCCVEGCSA-N 262.784 3.554 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)o1 1349996361 ANLSLLVGQAKNFD-SWLSCSKDSA-N 297.358 3.529 30 20 CHED C[C@H]1CCCC[C@@H]1COC(=O)CCCCCC#N 1350079129 ULSQFDQREYNPIP-UONOGXRCSA-N 251.370 3.830 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2ccc(C#N)s2)c1 1351149297 SEFCUCYLQZDPSL-UHFFFAOYSA-N 270.357 3.513 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)Cc1ccccc1Cl 1351718885 ZFEMVYGVIQGWNM-UHFFFAOYSA-N 298.773 3.792 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1NC/C=C/Cl 1458674363 IHADUHPTQGUADK-GORDUTHDSA-N 278.142 3.924 30 20 CHED Cc1cnc([C@@H](C)Sc2cccc(F)c2C#N)o1 1473037991 TZHIWQTUTXSKNB-SECBINFHSA-N 262.309 3.847 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1sccc1C#N 1476828475 PWUHYCNMELFBSD-UHFFFAOYSA-N 285.372 3.674 30 20 CHED C=C(CC)C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 1521126828 SEFNIGJTFAGXTC-XHDPSFHLSA-N 261.340 3.701 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)[C@H](CC#N)c2ccccc2)[C@@H]1C 1542595910 WMXURZBPNNEAIK-JOCBIADPSA-N 298.430 3.872 30 20 CHED O=C1/C(=C/c2ccoc2C(=O)O)[C@@H]2CCCc3cccc1c32 1610881783 GHMQWKKWGQOTRK-IGVUGNCQSA-N 294.306 3.678 30 20 CHED CC(C)CC[C@H]1CCCN1Cc1cccc(C#N)c1 1616310371 ZSFIXCNINLMCKX-QGZVFWFLSA-N 256.393 3.959 30 20 CHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(OC)c(C#N)c1 1624705175 ZORWZSVJKZOCGA-LLVKDONJSA-N 274.364 3.578 30 20 CHED N#CC[C@H](C(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 1628320696 SDSVUKWYWZBWRX-JQHSSLGASA-N 296.414 3.723 30 20 CHED CCSc1cccc(NC(=O)c2cc(C#N)[nH]c2C)c1 1629344594 ACOFEJSGCUPCPG-UHFFFAOYSA-N 285.372 3.559 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCC[C@H]2CCC(C)C)n1 1651482321 FQODUYIPVYKWHN-DZGCQCFKSA-N 286.423 3.927 30 20 CHED Cc1c(C#N)c(S[C@H](C)C(C)C)nc2c1CCC2 1656128094 ZHBUQEDWMUWLJU-LLVKDONJSA-N 260.406 3.887 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)NCc2ccc(C#N)cc2)C1 1669386091 VUNOUPSMRYBEAO-ZQIUZPCESA-N 299.418 3.572 30 20 CHED C[C@@H](C=NNc1ccc(C(=O)O)nc1)CC1CCCCC1 1776070609 YEJLKHFNVQVCTB-GFCCVEGCSA-N 289.379 3.784 30 20 CHED CCc1cccc(/C=C\C(=O)c2cc(C(=O)O)ccc2O)c1 1776974779 IMPZHXRHJTXJGW-VURMDHGXSA-N 296.322 3.549 30 20 CHED Cc1ccc(CSCC(=O)Nc2ccccc2C#N)cc1 5120053 CAIJOSHZMWBLQV-UHFFFAOYSA-N 296.395 3.739 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2cccc(Cl)c2)s1 7333309 JJOOJVSTSHASTQ-SNAWJCMRSA-N 292.743 3.996 30 20 CHED N#Cc1ccc(COC(=O)/C=C/c2ccccc2F)c(F)c1 13104042 VULHUTNAZVTPPK-BQYQJAHWSA-N 299.276 3.593 30 20 CHED C[C@@H](NCc1cccc(F)c1)c1ccc(C#N)cc1 20473425 MCPMGTGHHCQBEY-GFCCVEGCSA-N 254.308 3.548 30 20 CHED CSc1ccccc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 26113033 RSJKAUMKDCNLRW-LBPRGKRZSA-N 296.395 3.771 30 20 CHED N#Cc1cc(NC(=O)c2ccc(Cl)nc2)ccc1Cl 37979466 VDVNZWSZDPEXQV-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC[C@@H](NC(=O)N(C)C[C@@H](C)C#N)c1cccc(Cl)c1 46041449 AEKNVJFKWOBYIA-SMDDNHRTSA-N 293.798 3.592 30 20 CHED CC[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] 47873460 NMCOOUYAUAECOT-QWHCGFSZSA-N 273.336 3.847 30 20 CHED COc1ccccc1C(=O)CSc1ccc(C#N)cc1 48512113 UNQHLZZVBIIJHU-UHFFFAOYSA-N 283.352 3.542 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)CCc2cc(O)ccc21 60340072 VQDGYCUAQCIOKH-UKTHLTGXSA-N 268.287 3.744 30 20 CHED C=C(C)CNC(=S)N[C@@H](c1ccc(CC)cc1)C(C)C 61252003 VLMMDPBVPFSVIV-MRXNPFEDSA-N 290.476 3.986 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCC[C@H]1C 66415051 MUHGQBDEVCIPRQ-PBHICJAKSA-N 284.403 3.793 30 20 CHED C#CCN(CCC)[C@H](C)c1ccccc1Br 71954101 JYDMCHUBDNDDAC-GFCCVEGCSA-N 280.209 3.855 30 20 CHED CN(Cc1nccs1)c1ccc(C#N)c(C(F)(F)F)c1 74778454 NKHSOXAUVZIYLY-UHFFFAOYSA-N 297.305 3.670 30 20 CHED CCc1cc(C#N)c(NC(=O)Cc2ccc(F)cc2)s1 79263040 DTEBWVDYQLVVNY-UHFFFAOYSA-N 288.347 3.502 30 20 CHED N#C[C@@H](NC(=O)CC1CCC1)c1ccc(Cl)c(Cl)c1 80176663 SMDSWWQWWDCVFK-CYBMUJFWSA-N 297.185 3.864 30 20 CHED CC[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 83640152 JTNYVWMQXANBPD-WCQYABFASA-N 273.336 3.847 30 20 CHED N#Cc1csc(C(=O)Oc2cccc(C(F)(F)F)c2)c1 83937839 QXNQZWZMKYFQDL-UHFFFAOYSA-N 297.257 3.858 30 20 CHED N#CCC1(CNc2cccc(OC(F)(F)F)c2)CC1 88249528 JGIZZENJZGEIKR-UHFFFAOYSA-N 270.254 3.691 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)CCCC(C)(C)C 103373203 ISIRVRRKQNPCMC-UHFFFAOYSA-N 272.392 3.733 30 20 CHED CCC[C@@H](CC)NCc1ccc(O[C@H](C)C#N)cc1 105462003 GAUIZDWMHIZLFG-UKRRQHHQSA-N 260.381 3.646 30 20 CHED CCCC(=O)Nc1ccccc1SC[C@H](C)C#N 108241558 UEXWCFDYWDCRRV-LLVKDONJSA-N 262.378 3.677 30 20 CHED CC(C)(C)OCCSCc1ccc(C#N)cc1F 108413483 ZHNQOSYAZDTRPG-UHFFFAOYSA-N 267.369 3.746 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1Oc1cccnc1 116853665 JXSWMWDDRVGWBB-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED C=CCCCN(C)Cc1ccc(OC(F)F)cc1 117870763 XVCOFOSPMONDOP-UHFFFAOYSA-N 255.308 3.686 30 20 CHED C=CCOc1cccc(CN(C)CCC(F)(F)F)c1 119748980 YHVFQSNSDFKRAZ-UHFFFAOYSA-N 273.298 3.636 30 20 CHED N#CCc1ccc(NC(=O)c2ccc3ncccc3c2)cc1 121876033 JBXNENIPHSPOOW-UHFFFAOYSA-N 287.322 3.553 30 20 CHED C=CCn1c(SCCCCC)nnc1-c1ccccn1 124805353 TZBZMFOTUYNKKB-UHFFFAOYSA-N 288.420 3.808 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cc(C)sc1C 125268998 GXIONCUSTPUIOT-NEPJUHHUSA-N 281.421 3.523 30 20 CHED Cc1nc(C)c(-c2nnc(SCCCCC#N)o2)s1 125547423 YAIVJRKVYFXJCW-UHFFFAOYSA-N 294.405 3.596 30 20 CHED C[C@@H](Cc1ccc(F)cc1)Nc1cccc(C#N)c1 133599739 WAPHEQVYHYXIQG-LBPRGKRZSA-N 254.308 3.740 30 20 CHED C#CCCCCNCc1cc(Cl)c(OC)c(OCC)c1 150734010 IEEHOOBAJZOLHH-UHFFFAOYSA-N 295.810 3.640 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(C#N)cc1 151781976 BUQCRFJNUTWBJU-RYUDHWBXSA-N 284.384 3.601 30 20 CHED CN(CCC#N)[C@@H]1CCc2c(Cl)cc(Cl)cc21 155246204 MXESDTJKZTZESB-CYBMUJFWSA-N 269.175 3.826 30 20 CHED C=C(C)CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1 156822226 AGZFHMQJJOCDAI-LLVKDONJSA-N 266.772 3.619 30 20 CHED CC(C)(C#N)CCOc1cc(F)cc(Br)c1 157241377 JFTBXSWKZOMHAT-UHFFFAOYSA-N 286.144 3.907 30 20 CHED CC(C)(C#N)CCN(Cc1ccc(F)cc1)C1CC1 157456531 IMUCRINBZQAXEK-UHFFFAOYSA-N 260.356 3.730 30 20 CHED Cc1ccccc1/C=N/OCc1noc(C2CCCCC2)n1 160605339 XCJAJSWUMQONPO-WOJGMQOQSA-N 299.374 3.976 30 20 CHED C=C(C)CNC(=O)c1oc2c(C)ccc(C)c2c1C 161127678 TVCPXTDKVNEBGG-UHFFFAOYSA-N 257.333 3.664 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)c1ccc(Br)cc1 163005053 GWUZZVVQPOHZQH-GHMZBOCLSA-N 296.208 3.633 30 20 CHED Cc1cccc(C(=O)Nc2sccc2C#N)c1Cl 165370519 IZUSSKAXABLARQ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC[C@H](C#N)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 170946591 PCSIEVKKLGZUDG-BXKDBHETSA-N 299.201 3.590 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)CC1=CCCCC1 170946922 NJJKFCDBMHDYCD-UHFFFAOYSA-N 284.359 3.786 30 20 CHED CCOc1cc(/C=C2/Cc3ccc(C)cc3C2=O)ccc1O 170985722 KFKDOOBUEBTYJF-DHDCSXOGSA-N 294.350 3.922 30 20 CHED CC(C)CCN(CCC#N)Cc1ccn(-c2ccccc2)n1 173547493 DMNKOZXNYLONES-UHFFFAOYSA-N 296.418 3.634 30 20 CHED CC(C)(CCC#N)CNCc1cc(-c2ccccc2)on1 174333418 OCODUCSLADMAAC-UHFFFAOYSA-N 283.375 3.761 30 20 CHED Cc1cc(C)c(C(=O)Nc2sc3c(c2C#N)CCC3)o1 175262889 AZFJFCVMGVUMFQ-UHFFFAOYSA-N 286.356 3.571 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C1(CC)CCC1 176803982 FCZFQPXSKRGZJE-UHFFFAOYSA-N 287.403 3.790 30 20 CHED CCCCCCCn1cnc2cccc(F)c2c1=O 177381238 WGLIKQNOWQFVJY-UHFFFAOYSA-N 262.328 3.506 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OCC)c(OCC)c1 178062085 PADZHNFSISNISH-AWEZNQCLSA-N 275.392 3.548 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)C1CC1 178391086 GMISEHGWDGMYNB-JTQLQIEISA-N 283.824 3.962 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(O)c(C)c1)c1ccccc1 179484531 DDKZVEWWBZVZAW-AWEZNQCLSA-N 281.355 3.999 30 20 CHED CCCCCCCCCC(=O)N1CCC(C)(CO)CC1 183662531 RUTGMTNNEOHKFW-UHFFFAOYSA-N 283.456 3.748 30 20 CHED Cc1nc(CC(C)C)c(C(=O)OCC2(C#N)CCC2)s1 183901610 ORGJGMRCYNFITQ-UHFFFAOYSA-N 292.404 3.501 30 20 CHED Cc1cccc2c(CC(=O)OCC(C)(C)CC#N)c[nH]c12 184801278 DXNVANWETDVWHQ-UHFFFAOYSA-N 284.359 3.502 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 184987164 CNRMCFHHUAQGKW-UHFFFAOYSA-N 286.158 3.687 30 20 CHED Cc1occc1CN(C)Cc1ccc(Cl)cc1C#N 186748468 LDFIULJJFSISFS-UHFFFAOYSA-N 274.751 3.745 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)Nc1cccnc1 187696721 RVBADSUYGLORPK-UHFFFAOYSA-N 297.358 3.623 30 20 CHED Cc1nc(S[C@@H](C)CCC#N)n(CC(C)C)c1C 188262202 BNVYEWXGRLFGLD-NSHDSACASA-N 265.426 3.940 30 20 CHED C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1CCCCC#N 189495963 GHZBNDVWOQLMSS-CJNGLKHVSA-N 292.810 3.796 30 20 CHED N#Cc1ccc(NC(=O)C2(Cc3ccccc3F)CC2)cc1 191794606 PXHPDPHTZGTQOQ-UHFFFAOYSA-N 294.329 3.659 30 20 CHED C#CCSCCN[C@H](CC)c1cccc(Cl)c1 219229166 SUUNKRWFJXFNBN-CQSZACIVSA-N 267.825 3.747 30 20 CHED C#CCSCCN[C@@H](C)c1cccc(C(F)(F)F)c1 222114295 FOPMJDIBCFZTPH-NSHDSACASA-N 287.350 3.722 30 20 CHED CC[C@H](C)C[C@H](C)NCc1ccc(N(C)CCC#N)cc1 237120134 WYVBEHQRKQYXBC-HOTGVXAUSA-N 287.451 3.951 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1 246508992 GHPVSEMBZFTISY-UPJWGTAASA-N 281.359 3.565 30 20 CHED COc1ccc(C(=O)/C=C\c2c(OC)cccc2OC)cc1 254958217 PVORTPYXUXJULM-QXMHVHEDSA-N 298.338 3.609 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1cc(F)cc(F)c1 255882262 XFXKWJCIMYPGEH-PLNGDYQASA-N 284.265 3.509 30 20 CHED C=CCCC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 263657034 IQHRPJURBMFORG-JTQLQIEISA-N 293.317 3.575 30 20 CHED CC(C)CN(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 266403538 PNMBPNVVQCLGEM-UHFFFAOYSA-N 299.296 3.697 30 20 CHED C=C(Cl)CNC(=O)CCCc1cc(C)sc1C 267807641 REUXZOUEUKUCEQ-UHFFFAOYSA-N 271.813 3.556 30 20 CHED CCOCCC1(CNc2ccc(Cl)c(C#N)n2)CCC1 268845686 PMSYGIPFHQNOFO-UHFFFAOYSA-N 293.798 3.615 30 20 CHED C=C1CCN(Cc2cc(OC)c(OC)cc2SC)CC1 271146292 ASIJVJMTFSGAND-UHFFFAOYSA-N 293.432 3.578 30 20 CHED C=CCN(C(=O)c1ccc2ccc(Cl)cc2n1)C1CC1 271551024 QQFMYSSNSDGPIG-UHFFFAOYSA-N 286.762 3.679 30 20 CHED C#CCCCN[C@@H](C)c1cccc(OCc2ccccn2)c1 271815073 UWFOHBZMEDMJGF-INIZCTEOSA-N 294.398 3.725 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc(-c2nnc(C)n2C)c1 272220878 FTJJVALBZZSWHR-STQMWFEESA-N 284.407 3.803 30 20 CHED Cc1c(Cl)cnc(N2CCc3ccsc3C2)c1C#N 273278145 CUHWEDQKYAIXCU-UHFFFAOYSA-N 289.791 3.539 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1OC(C)(C)C 276029430 DFMFCCLCUUOGBY-UHFFFAOYSA-N 276.380 3.904 30 20 CHED C[C@H](CCC#N)N1CC[C@@H](CSc2ccccc2)C1 276304787 KUGQHOCCUOIIBB-HUUCEWRRSA-N 274.433 3.793 30 20 CHED CN(Cc1ccccc1C(F)(F)F)[C@@H]1CC[C@@H](C#N)C1 278564443 ISHQVBDDOXBNSH-DGCLKSJQSA-N 282.309 3.829 30 20 CHED CC[C@@H](NCCc1ccc(Cl)nc1)c1ccc(C#N)cc1 278631637 GYZDTVGJASQYID-MRXNPFEDSA-N 299.805 3.890 30 20 CHED CC[C@H](NCC(C)(C)SC)c1ccc(C#N)cc1 278705058 LFCIEZWSRDQLLS-AWEZNQCLSA-N 262.422 3.741 30 20 CHED C#CCCCC(=O)N(c1cnc2ccccc2c1)C(C)C 279768734 VFNKXDQEQUPFBP-UHFFFAOYSA-N 280.371 3.780 30 20 CHED N#CC1(CCCN2CC[C@H](c3ccccc3)C2)CCOCC1 281882333 DCXOBHKDUOXYTQ-SFHVURJKSA-N 298.430 3.576 30 20 CHED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)nc1 282306730 SAKPLALGWSGFRL-BCDXTJNWSA-N 289.382 3.868 30 20 CHED C=CCCCCCCNC(=O)Cc1ccc(C(C)=O)cc1 287181429 TVBPKBIQVXWSRZ-UHFFFAOYSA-N 287.403 3.684 30 20 CHED COC[C@H](NCCCC(C)(C)C#N)c1cccc(Cl)c1 288779959 KILYDEIXNCPULJ-HNNXBMFYSA-N 294.826 3.947 30 20 CHED CC#CCCN1CCC(c2noc3cc(F)ccc23)CC1 289841805 PFKXMKWWMRFMSK-UHFFFAOYSA-N 286.350 3.560 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c1 294619439 NMBHZGAKSVZHTE-HNAYVOBHSA-N 296.414 3.955 30 20 CHED C[C@@H](CC(C)(C)O)Nc1ccc(C(F)(F)F)c(C#N)c1 295087035 YQKXBZBHRRRYOE-VIFPVBQESA-N 286.297 3.538 30 20 CHED C=CCCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297698017 HWAGJSUGLSPDAZ-UHFFFAOYSA-N 262.378 3.822 30 20 CHED COCc1cc(CNc2ccc(F)cc2C#N)ccc1F 301390340 GGXDJAJLVNUSHU-UHFFFAOYSA-N 288.297 3.595 30 20 CHED C=CC1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1 301394887 KZGZTRLMQAFDAV-UHFFFAOYSA-N 295.361 3.956 30 20 CHED N#Cc1ccc(N2CC[C@@H](Cc3ccccc3)C2)cc1 301433558 RGQCAZCTXATBPM-KRWDZBQOSA-N 262.356 3.627 30 20 CHED N#Cc1cccc(Nc2cc(Cl)c(N)c(Cl)c2)n1 301858405 SCOIKJHNMSBMCW-UHFFFAOYSA-N 279.130 3.586 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 302851680 JCMKGNPVPOPLAY-DZGCQCFKSA-N 297.289 3.574 30 20 CHED Cc1ccsc1/C=C/B1OC(C)(C)C(C)(C)O1 306576331 KKXIYSIOIYRYRM-SOFGYWHQSA-N 250.172 3.701 30 20 CHED CCC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccccn1 308052746 HQFJFDQASIVXLP-KGLIPLIRSA-N 258.365 3.720 30 20 CHED N#Cc1sc(Sc2cccc(F)c2)nc1Cl 309435103 NATOICLAYFFJNW-UHFFFAOYSA-N 270.741 3.958 30 20 CHED N#CCCCC[S@](=O)c1ccc(Cl)cc1Cl 323041330 ONPMEYYXYYMPDG-INIZCTEOSA-N 276.188 3.795 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cnc2cnccc2c1 328782854 JTPVRJHLDOUQAW-HEHGZKQESA-N 295.386 3.903 30 20 CHED CCc1noc(C)c1N=C(O)[C@@H]1CCC(=O)c2ccccc21 328795908 CTMNARRMVUUOOG-CYBMUJFWSA-N 298.342 3.894 30 20 CHED OC1=N[C@@H](/C(O)=N/[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 328823982 RZZIXINIHGRXMF-OPRDCNLKSA-N 292.301 3.573 30 20 CHED Cc1nc(N=C(O)[C@H]2CC[C@H](C)C2)nc2c1CCCC2 329606537 IBMOQKHKXMOAAZ-JQWIXIFHSA-N 273.380 3.688 30 20 CHED Cc1cc(N=C(O)[C@H]2C[C@@]23CCOC3)c2ncccc2c1 329609323 CWDACIUFSNAIAE-CXAGYDPISA-N 282.343 3.558 30 20 CHED CCc1c(/C(O)=N/[C@]2(C)CC=CCC2)[nH]c(C)c1C(C)=O 331303045 AIJQQCWTGSXHGW-QGZVFWFLSA-N 288.391 3.892 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2ccc(F)cc2C#N)CC1(C)C 332413606 APOCCXDNZWNUGW-AWEZNQCLSA-N 289.354 3.596 30 20 CHED Cc1coc(C)c1C(=O)Nc1ccc(C#N)c(Cl)c1 334226272 ZLZFMCBTTAPQMZ-UHFFFAOYSA-N 274.707 3.674 30 20 CHED N#C[C@@H](NC(=O)c1ccco1)c1c(Cl)cccc1Cl 334284197 ZYGSNQCXYBRXAT-SNVBAGLBSA-N 295.125 3.581 30 20 CHED N#CCC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 334548876 STEWCZWNCFLWJD-ZDUSSCGKSA-N 296.292 3.673 30 20 CHED C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)CCC1(F)F 335163424 UCKNFTFHVXPCMJ-LLVKDONJSA-N 287.313 3.588 30 20 CHED COc1c(F)cc(F)cc1NC1CCC(C)(C#N)CC1 335208231 RJTBKVFWZCSZKY-UHFFFAOYSA-N 280.318 3.858 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N[C@@H]3CC[C@H](C#N)C3)oc12 335546185 BDHAGKJPHMFPEH-UONOGXRCSA-N 296.370 3.780 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(c3cccc(F)c3F)CC2)C1 335666001 NBOHUYSXZZWQOS-OCCSQVGLSA-N 290.357 3.836 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCc1nccs1 335720473 ZCOMCZIUAJCRDM-OAHLLOKOSA-N 283.400 3.572 30 20 CHED CSc1ccccc1[C@H](C)NC(=O)c1cccc(C#N)c1 337160800 SYYJFMNUTWKIQW-LBPRGKRZSA-N 296.395 3.771 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 337255402 RMWGFULWYFKRET-CYBMUJFWSA-N 288.395 3.591 30 20 CHED N#Cc1cccc(CCNCc2ccsc2Cl)c1 341484929 LMSBSJYFNVCJQH-UHFFFAOYSA-N 276.792 3.605 30 20 CHED C[C@H](CC1CC1)N[C@H]1CCCc2cc(C#N)ccc21 341716964 ZNWKXLQDDAKOTP-PXAZEXFGSA-N 254.377 3.714 30 20 CHED Cc1ccc2c(CCNc3snc(C)c3C#N)c[nH]c2c1 341846844 NNKLQCCPYYOSAB-UHFFFAOYSA-N 296.399 3.768 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC)c1ccccc1OC(F)F 341879447 UVWIGYMFVNHNFV-OCCSQVGLSA-N 299.361 3.513 30 20 CHED COCC1(C#N)CCN(Cc2ccc(C3CCC3)cc2)CC1 341987694 HNOULNDLCKGYJD-UHFFFAOYSA-N 298.430 3.706 30 20 CHED C=CCCOCCCCC(=O)Nc1c(F)cccc1F 342639552 RUTWLEJCYGFBQD-UHFFFAOYSA-N 283.318 3.666 30 20 CHED C=CCCOCCCCC(=O)N1[C@@H](C)CCC[C@@H]1C 342828475 DMPYDTBBJDTKLT-GJZGRUSLSA-N 267.413 3.539 30 20 CHED Cc1nnc(NCc2ccc(C3CCC3)cc2)c(C#N)c1C 343237242 SCNHACZMWWZPIG-UHFFFAOYSA-N 292.386 3.845 30 20 CHED CC[C@H](C)CNc1ccc2c(c1)CCC(=O)N2CCCC#N 345460698 KSUVXYLNEKEBKG-AWEZNQCLSA-N 299.418 3.728 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)NCC(C)(C)CCC#N)C1 345880453 GPATXOXDUQDOFD-WDNDVIMCSA-N 264.413 3.505 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1ccc(F)cc1Cl 348171611 SEEUVXWLPQVWDP-UHFFFAOYSA-N 297.761 3.931 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H](c2cccc(F)c2)c2ccccn2)C1 349426623 WGPIIMVNXWMREX-QBIMZIAESA-N 295.361 3.592 30 20 CHED CC1CCC(CC(=O)N[C@H](C#N)c2ccccc2F)CC1 349517906 NOMOGOPUAOLBPG-SEEARECTSA-N 288.366 3.723 30 20 CHED COCc1ccccc1/C=C(\C)CN(CCC#N)CC1CC1 351395535 HXDQJEQDXCODPC-FOWTUZBSSA-N 298.430 3.862 30 20 CHED CC(C)[C@H]1C[C@H](NC(=O)c2ccc(C#N)o2)c2ccccc21 352028202 PKXYFORNVCVDSX-CVEARBPZSA-N 294.354 3.766 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(C#N)c(F)c2)C1 353551815 WFWRBWLPPANQNF-RISCZKNCSA-N 289.354 3.740 30 20 CHED CN(Cc1cccs1)C(=O)C[C@H](CC#N)c1ccccc1 353612309 WUCVSDJGPOFAQT-HNNXBMFYSA-N 298.411 3.794 30 20 CHED CSC1(CN2CC=C(c3ccc(C#N)cc3)CC2)CCC1 356106610 FEJJKCIEJHBLGG-UHFFFAOYSA-N 298.455 3.933 30 20 CHED C=CCN(Cc1cscc1C(F)(F)F)C1CC1 356412309 MJBWGMGOENTCSY-UHFFFAOYSA-N 261.312 3.917 30 20 CHED N#Cc1ccc(CNc2cnn(-c3ccc(Cl)cc3)c2)o1 358964644 KRZPNIUEMLAOGD-UHFFFAOYSA-N 298.733 3.602 30 20 CHED N#Cc1cc(Br)ccc1N[C@H]1CC[C@H](F)C1 379468638 ZPOQCNPHNPTXDZ-QWRGUYRKSA-N 283.144 3.623 30 20 CHED Cc1ccsc1CN(C)CCCC(C)(C)C#N 382669953 AYZSPSPRNLWGNA-UHFFFAOYSA-N 250.411 3.818 30 20 CHED CCCOc1cccc(C(=O)Nc2ccc(F)c(C#N)c2)c1 385916740 XERBYMYSBAZETD-UHFFFAOYSA-N 298.317 3.738 30 20 CHED C=CC[C@H](CC)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 393776004 FUHCGQTYIYTAEL-NJAFHUGGSA-N 272.436 3.594 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(OC)c(OC)c1 395515314 RXKXPFVYYZUUOR-GFCCVEGCSA-N 263.381 3.567 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC(C)(C)CC(C)=O 409544369 LCDCLEBNONDCGI-UHFFFAOYSA-N 293.451 3.977 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCC(F)(F)F 412841409 PCHFWQJHFHOTAQ-CYBMUJFWSA-N 285.309 3.633 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N1CCc2cc(C#N)ccc21 416013238 MZBHFKRBMZWRLN-ZDUSSCGKSA-N 282.387 3.664 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](Oc2ccccc2)C1 416271797 SOFTZMLAVVKNMP-SJLPKXTDSA-N 287.403 3.659 30 20 CHED Cc1cccnc1[C@H]1CCC[C@H](NCC2(C#N)CCC2)C1 418144853 VFJUIBPZTBLKHX-HOTGVXAUSA-N 283.419 3.700 30 20 CHED N#CC1(CSCc2ccccc2[N+](=O)[O-])CCC1 419577637 IASQQFHMJUJXOS-UHFFFAOYSA-N 262.334 3.522 30 20 CHED CCc1nc(C)c(COc2c(C)cc(Cl)cc2C#N)o1 421856022 OBTQFRXOPVKHMP-UHFFFAOYSA-N 290.750 3.958 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H]1CSc2ccccc21 424847674 HQYLKYMNDCSQGF-LBPRGKRZSA-N 275.417 3.594 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(F)cc2)no1 426340617 SXNXKQGITKGGDK-UHFFFAOYSA-N 260.312 3.653 30 20 CHED C=C(C)CNC(=O)c1ccccc1Oc1ccccc1 428115875 OREKBPMOCNBHJO-UHFFFAOYSA-N 267.328 3.785 30 20 CHED N#Cc1ccc(F)cc1CN(C1CCC1)C1CCC1 429178113 DDJYQVVATJFBIE-UHFFFAOYSA-N 258.340 3.604 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(Cl)cc1C 435747522 IZNCYLYIVJFGGA-GOEBONIOSA-N 279.811 3.719 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc2ccccc2c1 435748958 HOZBWZFRANRDLL-MOPGFXCFSA-N 281.399 3.911 30 20 CHED CC1=C(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC1 437111810 BQSPFXZXUDCCMX-UHFFFAOYSA-N 284.359 3.784 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1OCC1CC1 439578725 GTGKNIVJXGHFHZ-AWEZNQCLSA-N 288.391 3.952 30 20 CHED C=CCCC(=O)N[C@@H](C1CCCCC1)C(F)(F)F 439857963 REDXBIBLUDILPG-LBPRGKRZSA-N 263.303 3.580 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(Sc3ccccc3)CC2)C1 442772550 AZYNSWKOAKQADG-KGLIPLIRSA-N 272.417 3.593 30 20 CHED Cc1cc(C)n(-c2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2F)n1 442854830 JMRKJIMWAXZTCQ-UONOGXRCSA-N 298.365 3.732 30 20 CHED CCCCc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 442899399 KTIFQMKIMIIHJB-UHFFFAOYSA-N 294.354 3.859 30 20 CHED C=CCCC[C@@H](C)NCc1cnc(C(F)(F)F)s1 443995279 QJTLATHBVLPJFN-SECBINFHSA-N 278.343 3.996 30 20 CHED COCCN(CCCCC(C)(C)C#N)[C@@H]1CC[C@H](C)C1 444700851 GBSGTPRWEIPVPT-JKSUJKDBSA-N 280.456 3.843 30 20 CHED CC(C)=CCSCc1nnc(-c2ccc(C#N)cc2)o1 446126454 MQWFKCXEWDZWRT-UHFFFAOYSA-N 285.372 3.808 30 20 CHED C[C@@H]1CCC[C@H](CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)C1 447924822 XOAUIRBNNYMWJK-XDNAFOTISA-N 290.451 3.740 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1Cl 448677531 YLFTYVIKXOHZAC-MEBBXXQBSA-N 292.766 3.615 30 20 CHED C=CC(C)(C)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 449904994 RWIJFYDXMHIVNS-LSDHHAIUSA-N 271.404 3.912 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)CC1CCC(=O)CC1 450315578 XGDOILFMPUTENI-UHFFFAOYSA-N 298.430 3.776 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)CC(C)C 450983373 QEBGKCRXATWMSS-AWEZNQCLSA-N 265.397 3.585 30 20 CHED CCc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1F 451665544 RBCDKENJNOXNDE-KRWDZBQOSA-N 286.350 3.801 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl 452529213 OPXBCWKMKKVTNN-CHWSQXEVSA-N 290.794 3.768 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H]1CCCC1(F)F)c1ccccc1 452801739 DZWXYDXLGZOEBG-LSDHHAIUSA-N 293.357 3.898 30 20 CHED C=C(CC)CNC(=O)CSc1ccc(Cl)cc1 453004584 AYLKTDZPUUCEPE-UHFFFAOYSA-N 269.797 3.515 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CCCC1(F)F 455405237 HBIYZXIMRWRVHT-CYBMUJFWSA-N 288.382 3.810 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@H]2CC(C)C)c1 456001931 MINXWQHFLWKILE-INIZCTEOSA-N 285.391 3.909 30 20 CHED C=CCC1(CNC(=O)[C@H]2CCC(F)(F)C2)CCCC1 456503736 JHXDQJXXWAGAND-LBPRGKRZSA-N 271.351 3.675 30 20 CHED CC(C)(CC#N)CNCc1ccc(F)cc1Br 459731496 NSCLHZSXJPSXAV-UHFFFAOYSA-N 299.187 3.618 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 464759603 ZLQPKTKXCPBIBW-QAPCUYQASA-N 294.398 3.958 30 20 CHED CCc1cccc(F)c1CNCCc1cccc(C#N)c1 466426462 UWVJBXZYXHJDKS-UHFFFAOYSA-N 282.362 3.592 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1CN(CC)CC 466426689 RWFGOVQUBGIFGO-GVDBMIGSSA-N 294.483 3.606 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Oc1cccc(C(C)C)c1 466628394 OJMNWLDQNGNNSX-AWEZNQCLSA-N 275.392 3.612 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1Cc1ccccc1C 466661062 ODLJPTCJEAFPAA-SFHVURJKSA-N 283.415 3.722 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(C(C)C)c(Cl)c1 466993994 WERZJZPRBMFUOT-SNVBAGLBSA-N 251.757 3.768 30 20 CHED C=CCC(CC=C)C(=O)NCCOc1c(C)cccc1C 467358864 QCHFXVAAMQGSEE-UHFFFAOYSA-N 287.403 3.567 30 20 CHED C=CC[C@H](CC)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 467415258 YHMHMRYUFYBEJY-FUMNGEBKSA-N 298.474 3.841 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 467733639 XWCGMGDCAYNYQA-DARAHFNDSA-N 261.409 3.696 30 20 CHED C=CCOCCCC(=O)NC1CCC2(CCCCC2)CC1 470060909 UWQBUVGYFXRQFF-UHFFFAOYSA-N 293.451 3.979 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1cccc(F)c1C#N 470479318 DGRTVAAKNXIQLE-GFCCVEGCSA-N 288.366 3.786 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCCCCC(C)(C)C 473568477 GHQYWHWJAKPUKP-INIZCTEOSA-N 269.429 3.548 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 474574096 BTCNIIOIJQNBSK-DUVNUKRYSA-N 290.382 3.726 30 20 CHED C=CCCCCNC(=O)c1cccn1Cc1cccs1 474676407 UQSZQNDNTOGLGA-UHFFFAOYSA-N 288.416 3.684 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)c(Cl)cc1C 474793774 XLSYHCDXNVDEMP-UHFFFAOYSA-N 265.784 3.995 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCCC1(C)C 475413023 PQSGYMIJFROTOB-HNNXBMFYSA-N 278.440 3.991 30 20 CHED C=CCCC1(C(=O)NC[C@H](C)Cc2cccs2)CC1 476100779 RRIRJRCFPWYGKC-CYBMUJFWSA-N 277.433 3.789 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)c(O)c(C)c1 478797617 QHLKJMGDTMZNPC-UHFFFAOYSA-N 259.349 3.716 30 20 CHED N#Cc1cc(N2CCCC3(CCC3)C2)nc2ccccc12 480371483 SGNAUUKLZDUNAO-UHFFFAOYSA-N 277.371 3.877 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(F)c(F)c2)ccc1C#N 488111943 YLZSGJAKWQZGRX-LBPRGKRZSA-N 286.325 3.996 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 488575717 UKQAERUBNGVNOF-MRXNPFEDSA-N 290.382 3.932 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](CC)Oc1ccccc1F 489768776 OBCPXNFCZSVUDZ-AWEZNQCLSA-N 293.382 3.702 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(C)cc(OC)c(C)c1C 491507167 UEWSGVZLEXELIC-AWEZNQCLSA-N 288.391 3.544 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CCCC(C)C 492046510 NDCQTTIKZNOIOD-HUUCEWRRSA-N 266.429 3.951 30 20 CHED C=CCN(CCc1ccco1)CC1=Cc2ccccc2OC1 495088727 MODPWOCWINVBFC-UHFFFAOYSA-N 295.382 3.786 30 20 CHED CCOc1c(Cl)cccc1CN(CC)C[C@@H](C)C#N 495175933 VUDXIQZACQDAIW-LBPRGKRZSA-N 280.799 3.720 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1C[C@@H](C)C[C@H](C)C1 504578453 QMICGQSZOLROLW-GJZGRUSLSA-N 289.419 3.909 30 20 CHED C=C(C)CN(CC)Cc1c(C)nn(CC(C)C)c1OCC 505842832 QXDRRUZDHZQFKB-UHFFFAOYSA-N 293.455 3.644 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)c3c(c2)OCO3)n1 508633394 BVZOORUAONOXHJ-UHFFFAOYSA-N 292.722 3.627 30 20 CHED C=C(C)CCN(C)CCCc1cc(-c2ccccc2)n[nH]1 509932947 YEALWIALYUOPCE-UHFFFAOYSA-N 283.419 3.907 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] 516520427 OPSWFBBTEKMKJN-GOEBONIOSA-N 293.326 3.510 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N1CCC=C(C)C1 517451655 RYPYAEWQVQPGEA-UHFFFAOYSA-N 286.423 3.668 30 20 CHED C=CCNC(=O)c1ccc(C(C)(C)C)c(Cl)c1 519035352 QVCJLBGDHQXGNJ-UHFFFAOYSA-N 251.757 3.553 30 20 CHED N#CCN(CCCOc1cccc(Cl)c1)C1CCCC1 523438914 XFWYCKHCHWQDKB-UHFFFAOYSA-N 292.810 3.877 30 20 CHED C/C(Cl)=C/CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 528392985 HMVYOHLKUBCJTO-WTEYMAAXSA-N 274.795 3.901 30 20 CHED Cc1ccc2c(c1)CCN2c1ncc(C#N)cc1Cl 530483966 LVUFDIQUZJDVKW-UHFFFAOYSA-N 269.735 3.609 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C)[C@H](OC)c1ccc(OC)cc1 536844422 IJVBZAZGWXKQCB-AFIMGQEJSA-N 291.435 3.962 30 20 CHED C=CC[C@H](C)NC(=O)C1(Cc2ccc(Cl)cc2)CC1 537739825 UEOLMLKBLIWCIC-LBPRGKRZSA-N 277.795 3.744 30 20 CHED CC(C)C[C@@H]1C[C@@H](Nc2c(F)cc(C#N)cc2F)CCO1 539611564 MGZFICYCZIESNE-QWHCGFSZSA-N 294.345 3.842 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)CCSCC 540486761 GHILXRBBQUCYAD-OLZOCXBDSA-N 272.458 3.562 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CCCC)C1CC1 540568336 HBXKWWXNYRYLFJ-ZDUSSCGKSA-N 252.402 3.705 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1nc(CC(C)(C)C)cs1 540633528 VRTINAZRRGCTLY-LLVKDONJSA-N 296.436 3.651 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3ccc(C#N)s3)C2)c1 541554136 ZEGJAJQZRBEZGY-OAHLLOKOSA-N 282.412 3.918 30 20 CHED CCCOc1cccc2c(NCC3(C#N)CC3)ccnc12 541884726 PEKSVPQROYRSSL-UHFFFAOYSA-N 281.359 3.739 30 20 CHED CC[C@H](CC(F)(F)F)Nc1c(C#N)nnc2ccccc12 546879877 AJYKJGCGBQBDDY-SECBINFHSA-N 294.280 3.644 30 20 CHED CCC[C@H](NC(=O)c1ncc(C#N)cc1C)c1ccccc1 549513838 APDDFRZBHHFJGM-INIZCTEOSA-N 293.370 3.533 30 20 CHED C=C(C)C[C@@H](C)c1nc(CCc2ncccc2C)no1 562793404 WRTBHAZBLAKEJQ-CYBMUJFWSA-N 271.364 3.628 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 573881662 XSALKFWRWGTODA-IIDMSEBBSA-N 295.467 3.888 30 20 CHED Cc1nc2ccccc2nc1NCC1CCC(C#N)CC1 575078013 INCKFAJZLROJCD-UHFFFAOYSA-N 280.375 3.680 30 20 CHED N#CCCC1CCN(c2nc3cccc(F)c3s2)CC1 576462424 CFRPKTWNFKIBJO-UHFFFAOYSA-N 289.379 3.956 30 20 CHED C=C[C@@H](CC(=O)N1Cc2ccccc2CO1)c1ccccc1 577413744 BNQNCRKFQJZSGO-HNNXBMFYSA-N 293.366 3.820 30 20 CHED C/C(=C\c1ccccc1OC(F)F)CN(CC#N)C1CC1 578104696 OGJHUNLILZFSQT-ZRDIBKRKSA-N 292.329 3.679 30 20 CHED CC(C)c1ccc(O[C@@H](C)CNc2cc(C#N)ccn2)cc1 580108506 PVRNTZHNCHDHNX-AWEZNQCLSA-N 295.386 3.956 30 20 CHED C=CCOc1ccc(CNc2ccsc2[N+](=O)[O-])cc1 588062446 GNEXYEZUABEWDV-UHFFFAOYSA-N 290.344 3.833 30 20 CHED CC(C)(CNC(=O)CCCCCC#N)C1CCCC1 588162485 TWUJXVILMKPIRA-UHFFFAOYSA-N 264.413 3.793 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(F)c(OC)c2)c1 588534385 KMOPOTUAORVHET-UHFFFAOYSA-N 289.306 3.689 30 20 CHED C[C@H](C[C@@H]1CCOC1)Nc1ccc(C(F)(F)F)cc1C#N 589583367 ADLSPIACWGBHBT-MNOVXSKESA-N 298.308 3.804 30 20 CHED CCN(CC)C(=O)c1ccc(NC[C@@H](C)CCC#N)cc1 590596394 YKYRKJJOQZIURW-AWEZNQCLSA-N 287.407 3.520 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)CCCCCC#N 591103768 IFOYTDUDSUEDFY-KGLIPLIRSA-N 264.413 3.791 30 20 CHED Cc1ccccc1C1(NCc2cc(C#N)cs2)CC1 592372842 VESUFUQMTKMHIW-UHFFFAOYSA-N 268.385 3.707 30 20 CHED C=CCCCCCSCc1cc2n(n1)CCC2 593200530 SIDXZJCGSNZJEF-UHFFFAOYSA-N 250.411 3.809 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 594087981 NTURBDZGFHBCQY-SOUVJXGZSA-N 284.403 3.737 30 20 CHED CC(C)(NCCc1ccc(C#N)cc1)c1ccccc1 595303652 ABRAWQXNLHMMHU-UHFFFAOYSA-N 264.372 3.626 30 20 CHED CCCO[C@@H]1CCCN([C@@H](C#N)c2ccccc2)CC1 595311060 HTTRTRGTTNNOHP-SJORKVTESA-N 272.392 3.532 30 20 CHED Cc1ccc(Br)cc1CN(C1CC1)[C@H](C)C#N 595709282 DKHKEROVBRTUQB-LLVKDONJSA-N 293.208 3.634 30 20 CHED C[C@@H](C#N)N(CCOc1cc(Cl)ccc1Cl)C1CC1 595719014 ZGTMVZRZQXGARS-JTQLQIEISA-N 299.201 3.749 30 20 CHED CC1(Cn2nc(C(C)(C)C)c(CCC#N)c2O)CCC1 596260054 GOKOPOKTJCNHPF-UHFFFAOYSA-N 275.396 3.533 30 20 CHED CCO[C@H](CC)c1noc(/C=C\c2ccc(C#N)cc2)n1 596616125 UUNIRPUNCHZHAI-CFYYFVFUSA-N 283.331 3.599 30 20 CHED Cc1cc(CN2CCC[C@H](CC#N)C2)ccc1Cl 597175818 FBWBSDPVLUALGP-CYBMUJFWSA-N 262.784 3.774 30 20 CHED CC1(C)C[C@]1(C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 597498477 IJLVPQNJRXXQKM-RBUKOAKNSA-N 296.414 3.507 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](CC#N)C2)cc1C 597899502 AQQDEOZULVIUGY-BPQIPLTHSA-N 296.414 3.559 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)CCCc2cccs2)n1 598854523 SRFJQESZKWNWOO-UHFFFAOYSA-N 299.399 3.593 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnc(C2CC2)o1 600167788 XXIOFTILGFDHDF-LBPRGKRZSA-N 281.359 3.617 30 20 CHED N#C[C@@H](CCc1ccccc1)Sc1nc2c([nH]1)CCC2 601082862 SQQOKPZAKPHNER-CYBMUJFWSA-N 283.400 3.515 30 20 CHED C[C@@H]1CCN(CCOc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 603846824 CQJMJQUMRFFDOV-AYOQOUSVSA-N 298.430 3.838 30 20 CHED C=CCOc1ccccc1CNCCc1ccc(C)cc1 604768912 VHRJWTAPRZCEHH-UHFFFAOYSA-N 281.399 3.892 30 20 CHED C=CCN(C(=O)c1ccc(OC)cc1C)c1ccccc1 607780707 HCOGZUIZMLBKFH-UHFFFAOYSA-N 281.355 3.836 30 20 CHED C=CCNC(=O)[C@H](C)SC[C@@H](CC)CCCC 609237868 VRZKGMXLYSVEJJ-STQMWFEESA-N 257.443 3.627 30 20 CHED N#CCc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1 610221269 CSXICBHFGQYUHZ-UHFFFAOYSA-N 294.285 3.890 30 20 CHED Cc1oc(C)c(C(=O)N[C@H](C)c2cccc(C#N)c2)c1C 610360273 UPRDNDLLAZIXTG-LLVKDONJSA-N 282.343 3.568 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)NCC(C)(C)C#N)c1 611620728 PBZDROXPJMMZSG-GFCCVEGCSA-N 289.379 3.535 30 20 CHED CC[C@H](CSC)N(C)c1nc(C(C)(C)C)ccc1C#N 613431171 SGNOOMIATUCUBU-CYBMUJFWSA-N 291.464 3.829 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C2(C(F)F)CCCC2)C1 617779059 UHMQJURPYFXUCV-GFCCVEGCSA-N 271.351 3.627 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](CCC)c2ccccn2)C1 617780560 XEMJTKRSFVKPMQ-HZPDHXFCSA-N 286.419 3.780 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 617786048 SQRNQWLRMFIGJJ-QGZVFWFLSA-N 271.404 3.824 30 20 CHED C=CCCOCCCCC(=O)N1[C@H]2CC[C@H]1CC(C)C2 620430667 KTTJURRJFSFNIM-HOTGVXAUSA-N 279.424 3.539 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](CC)CCC)cc1 620888694 LNFUARWPQQLZED-CQSZACIVSA-N 261.365 3.560 30 20 CHED C=CCN(C(=O)c1csc(C)c1C)C(C)(C)C 622945267 ZKFUNTYGEVCUTH-UHFFFAOYSA-N 251.395 3.792 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc2oc(C)nc12 633349443 PNSYSRWQIVMJBU-UHFFFAOYSA-N 270.332 3.843 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@@H]3CCCC[C@@H]32)c1 665848351 ONGGENNDOYGEOT-BBRMVZONSA-N 286.375 3.658 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCCc1ccoc1 666483584 YCHNYNOVRJAVJT-UHFFFAOYSA-N 290.407 3.600 30 20 CHED C=CCCOCc1nc(-c2ccc(C(C)C)cc2)no1 680656165 ZAXSGZIXJZEHJK-UHFFFAOYSA-N 272.348 3.953 30 20 CHED C=CCN(CCc1ccco1)C(=O)N(C)C(C)(C)CC 684915643 GAERDGRRHAWHPX-UHFFFAOYSA-N 278.396 3.551 30 20 CHED C[C@H]1CCCCC[C@H]1Nc1cccc(OCC#N)c1 691073254 QQGIKTVWODSEHA-XJKSGUPXSA-N 258.365 3.970 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CC1CCSCC1 695726830 UXJALBVYKBCEPL-UHFFFAOYSA-N 294.807 3.683 30 20 CHED C[C@H](CN(C)c1snc(Cl)c1C#N)c1ccccc1 727434768 IOIGFLHFZYLIRD-SNVBAGLBSA-N 291.807 3.908 30 20 CHED CN(C)c1ccc(/C=C2/COc3ccccc3C2=O)cc1F 727655239 UKHAAHWRRWADCP-LCYFTJDESA-N 297.329 3.550 30 20 CHED C[C@H](OC(=O)CSc1ccc(C#N)cc1)c1ccccc1 728460184 UYORNYNLAKVRRC-ZDUSSCGKSA-N 297.379 3.955 30 20 CHED O=C(/C=C1/COc2ccc(F)cc21)c1ccsc1 729152042 ZUKKTFNUPXHXKX-YHYXMXQVSA-N 260.289 3.546 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C\c1cc2ccccc2nc1O 729641660 RXWBZVZBCZEJDP-OGWNRBEGSA-N 254.333 3.548 30 20 CHED CC[C@@H](CC(=O)OCc1cc(C#N)ccc1F)C(C)C 729764563 YZNZERFZQNTXBQ-ZDUSSCGKSA-N 277.339 3.813 30 20 CHED CCC(Cc1cccs1)=NNc1nc(C)cc(C)n1 730945390 HNYVNQFWTBGTMP-UHFFFAOYSA-N 274.393 3.576 30 20 CHED C[C@H]1CC[C@H](/N=C/c2cc3ccccc3nc2O)CC1 730952502 XUXFQXISQFJMFR-LEOOAISTSA-N 268.360 3.938 30 20 CHED C[C@H](CC1CCCC1)C(=O)Oc1ccc(C#N)cc1 733908593 PBRVCXHMJKSXPS-GFCCVEGCSA-N 257.333 3.680 30 20 CHED CC1CCC(=CC(=O)OCc2ccccc2C#N)CC1 734203256 NZRYFVHTQAZGEB-UHFFFAOYSA-N 269.344 3.738 30 20 CHED Cc1cc(F)ccc1-c1ccc(C=NNc2cnccn2)o1 734299060 PYZFJURODJEHCC-UHFFFAOYSA-N 296.305 3.630 30 20 CHED C#CCCCOC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 739154597 ZUBGKCYSCAJZAX-LBPRGKRZSA-N 298.304 3.841 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](COC)C1 739756638 JLIYAYUSHOCWPZ-HNNXBMFYSA-N 269.429 3.622 30 20 CHED C=CCN(C(=O)[C@H]1CCSc2ccccc21)C(C)C 741898645 GAVBIRFAVLQCTR-AWEZNQCLSA-N 275.417 3.689 30 20 CHED CCOc1ccc(C=NNc2ccc(Cl)nc2)cc1 743450920 UHJFQXDOXWLYHG-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(C)Cc1nc(C#N)c(NN=CC2CCCCC2)o1 745614074 ZNHODXOHFMIBTN-UHFFFAOYSA-N 274.368 3.723 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C[C@@H]1CC=CCC1 747062001 QPIFJUSMSLDOHQ-GFCCVEGCSA-N 259.309 3.657 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)c1ccc(C)c(C)c1 748233941 MPLGSZMCDPROKQ-AWEZNQCLSA-N 274.360 3.774 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)c1 749315097 AJAXRBRDCSTZFK-GOSISDBHSA-N 293.366 3.772 30 20 CHED Cc1cc(C)c(C)c(OC(=O)Cc2ccc(C#N)cc2)c1 749784214 DOAUVENZBZJIDR-UHFFFAOYSA-N 279.339 3.632 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H](C)c1cnn(C)c1 749917954 DJKRXBJWKCVNSN-HNNXBMFYSA-N 293.455 3.733 30 20 CHED C=C(C)COC(=O)C1(c2ccc(C)c(OC)c2)CCC1 750176485 VVNGMOABMVZDJG-UHFFFAOYSA-N 274.360 3.545 30 20 CHED C[C@H]1CCC[C@H](CC(=O)OCc2ccccc2C#N)C1 750244685 XBEPYYLEGGQGMG-KBPBESRZSA-N 271.360 3.818 30 20 CHED CCC1(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CC1 750742658 QASWNBQSWKXFEU-JTQLQIEISA-N 262.378 3.633 30 20 CHED C#C[C@@H](CC)NC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 753259085 OCSCTWBFAMZPEY-CABCVRRESA-N 290.407 3.873 30 20 CHED CCCCCCCCNC(=O)Cc1noc2ccccc12 754843161 UUYGAYIXLMZBMR-UHFFFAOYSA-N 288.391 3.847 30 20 CHED C#CC[C@@H](NCc1cc(Cl)ccc1O)c1ccccc1 756997037 UDMSCIRPKPQUDD-MRXNPFEDSA-N 285.774 3.900 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@@](C)(CC)C1)c1ccccc1 757059632 TYRGEQZCPYLNFU-SJLPKXTDSA-N 284.403 3.583 30 20 CHED C#CC[C@H](NC(=O)N[C@H]1CC[C@H](C)CC1)c1ccccc1 757064698 MQHXQWCXGFBXAY-XIRDDKMYSA-N 284.403 3.629 30 20 CHED C#CC[C@@H](NC(=O)N(C1CC1)[C@H](C)C(C)C)c1ccccc1 757773971 UABNAJBWBKLPBV-CRAIPNDOSA-N 298.430 3.970 30 20 CHED Cc1oc2ccccc2c1C=NOCC(F)(F)F 758116167 CRKMBASSWRQJBU-UHFFFAOYSA-N 257.211 3.654 30 20 CHED CCCC[C@H](CC)COC(=O)C1(C#N)CC(C)C1 760770196 KOUYVCBEYHTAPY-OWYJLGKBSA-N 251.370 3.686 30 20 CHED CO[C@@H](C)C(C)=NNc1c(Cl)cccc1Cl 763178244 BSNWTJSJWXRJKA-QMMMGPOBSA-N 261.152 3.816 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(O)c(C)c1 764431410 COEFVWNVYVXFEF-AATRIKPKSA-N 274.341 3.667 30 20 CHED CCn1nccc1/C=C1\C(=O)c2ccccc2[C@@H]1C(C)C 766507675 WHKSSNBZMJBWSR-NIFLVVHWSA-N 280.371 3.923 30 20 CHED COc1cccc(NN=C(C)c2ccc(C)cc2OC)c1 767232710 YDYUMUVYEDJOPV-UHFFFAOYSA-N 284.359 3.848 30 20 CHED CCCCCCCC(=O)N[C@@H](CCO)c1cccs1 768877908 SZUYVYPIEORNPC-ZDUSSCGKSA-N 283.437 3.648 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNCC(F)(F)F 769807874 CEHGSYALLQWTKA-JTQLQIEISA-N 250.308 3.731 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1cscc1Cl 771858571 JDQCNBCCIJQCHG-PLNGDYQASA-N 280.780 3.648 30 20 CHED Cn1ccc(/C=C2/CCCc3ccc(Cl)cc3C2=O)n1 773154121 RYNAYEGROYGJQD-XFXZXTDPSA-N 286.762 3.676 30 20 CHED CC[C@H](N[C@@H](C)C[C@H](O)c1ccco1)c1ccc(C#N)cc1 774229304 FRQSJWRWHLGEKS-JQFCIGGWSA-N 298.386 3.704 30 20 CHED CCOCCON=C1CCSc2c(Cl)cccc21 774422802 NMGCHZKSCFBEGZ-UHFFFAOYSA-N 285.796 3.593 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C\c1ccc(Cl)cc1 776361694 STZWHWKEMZLBSN-YVMONPNESA-N 277.751 3.836 30 20 CHED CCc1nc(C)c(C(=O)O[C@H](C#N)C2CCCCC2)s1 776382494 DYQPOXUFFSGDCX-GFCCVEGCSA-N 292.404 3.643 30 20 CHED COCCON=C1CCC[C@H]1c1ccc(OC(C)C)cc1 776777731 MSGZUGKMWQHNSO-INIZCTEOSA-N 291.391 3.760 30 20 CHED COCCON=C1CCC[C@@H]1c1ccc(OC(C)C)cc1 776777732 MSGZUGKMWQHNSO-MRXNPFEDSA-N 291.391 3.760 30 20 CHED Cc1ccc2c(C=NOCCC(F)(F)F)c[nH]c2c1 777456213 TXTCEIRIHHEZRT-UHFFFAOYSA-N 270.254 3.779 30 20 CHED C#CC[C@@H](NC(=O)c1cc(C)nc(Cl)c1)c1ccccc1 777754454 PBRFHKWPUJWUQS-OAHLLOKOSA-N 298.773 3.538 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccsc1 777905550 LTAQLMZZAJVFFX-UHFFFAOYSA-N 251.742 3.633 30 20 CHED C=CC[C@@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 778419693 UZRKLMALNZPZIL-OAHLLOKOSA-N 271.360 3.829 30 20 CHED C#CCCCCCC(=O)N(CCc1ccccc1)C1CC1 779806594 BOHPUCYKVKGPTF-UHFFFAOYSA-N 283.415 3.804 30 20 CHED C[C@H]1CCCC(=NNc2cnc3ccccc3n2)[C@H]1C 781121441 BCPFVKLCCMSSCH-RYUDHWBXSA-N 268.364 3.854 30 20 CHED Cc1cc(COC(=O)c2ccc(C#N)s2)ccc1Cl 781173285 MHXUXDNWIYSKDS-UHFFFAOYSA-N 291.759 3.939 30 20 CHED C=CCCCCCOC(=O)/C=C\c1ccc(O)cc1 782441182 SRZKYTDGTPHBHK-XFXZXTDPSA-N 260.333 3.695 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1cc2c(s1)CCCC2 783292901 DBRSMGLIBVSTBR-GFCCVEGCSA-N 297.427 3.744 30 20 CHED C[C@H]1CCC(=NNc2ncccc2Cl)[C@H](C)C1 783833523 RQGNQENOHPZXCL-VHSXEESVSA-N 251.761 3.959 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1ccccc1O 783878257 SYWISDDKKARDGQ-UHFFFAOYSA-N 285.734 3.753 30 20 CHED C=CCCCCCOC(=O)c1ccc(Br)nc1 783959283 IGGLBZKSCZLSJQ-UHFFFAOYSA-N 298.180 3.747 30 20 CHED CC(C)(C#N)CC(=O)OCCOc1cccc2ccccc12 785091205 RCIOYTRIRGGNAX-UHFFFAOYSA-N 297.354 3.702 30 20 CHED CCON=C(Cc1ccccn1)c1ccc(Cl)cc1F 787151981 NUTIEALUHJZNSK-UHFFFAOYSA-N 292.741 3.857 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1O 788803397 SKYSRIVGFSCEQO-SNVBAGLBSA-N 298.308 3.755 30 20 CHED CC[C@@H](C)CON=C1CCCc2nc(C)sc21 793159310 MZQCOGIJQMPDGF-SECBINFHSA-N 252.383 3.555 30 20 CHED COCCCC(C)=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 794540829 DYRFMHDPAKSKOE-IJEWVQPXSA-N 266.429 3.593 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1ccnc(F)c1 794720425 RHRFGOCJJIYWQM-WAYWQWQTSA-N 278.286 3.665 30 20 CHED C/C(C=NNCc1ccccc1N(C)C)=C/c1ccccc1 794956065 LWEHMNVJDOGIJZ-FURHHKRCSA-N 293.414 3.932 30 20 CHED Fc1cccc(NN=Cc2ccc(C(F)(F)F)cc2)n1 795008827 OMJFKDUFKNMVIF-UHFFFAOYSA-N 283.228 3.686 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)c1ccoc1 797404751 PPHOXAKCZWJZCQ-UHFFFAOYSA-N 278.743 3.683 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc3c(c2)COC3)c1F 799893421 YMTPFKBHLHLPCO-FPLPWBNLSA-N 298.313 3.761 30 20 CHED CCCC[C@H](C)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 800382379 DRIYMYPXQMLYPC-RYUDHWBXSA-N 269.348 3.565 30 20 CHED Oc1ccccc1/C=N\CC1CCC(F)(F)CC1 800720782 HCUIAJFBXKIIGW-YVLHZVERSA-N 253.292 3.637 30 20 CHED Cc1ccc(C(C)C)c2c1C(=O)/C(=C/c1cn(C)cn1)CO2 800794423 GNULTPMDJSMQQH-NTUHNPAUSA-N 296.370 3.511 30 20 CHED N#Cc1csc(CNc2ccc(OC(F)F)cc2F)c1 800897691 OVZFEHMDTSWAAQ-UHFFFAOYSA-N 298.289 3.972 30 20 CHED C#C[C@H](NC(=O)[C@@](C)(C=C)CC)c1ccc(Cl)cc1F 804422587 SGPHNTFBCMQNBX-HOCLYGCPSA-N 293.769 3.872 30 20 CHED CC#CCCCC(=O)OCCOc1ccc(SC)cc1 805529870 KQJXPKSMSMBXEP-UHFFFAOYSA-N 292.400 3.524 30 20 CHED C#C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)C(C)(C)C 808313407 SJLQSUXNNRPXTC-NSHDSACASA-N 298.839 3.591 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(F)c([C@H](C)O)c1 809715721 GCWFGAQAJXRQFY-TUAOUCFPSA-N 251.345 3.892 30 20 CHED Cc1cc(COC(=O)c2ccc(C(C)C)cn2)ccc1C#N 811262472 VJQNFHZQJOQKMJ-UHFFFAOYSA-N 294.354 3.742 30 20 CHED O=C(/C=C\c1cncs1)c1nccc2ccccc12 811699028 ODUNXDCQTVMQKR-WAYWQWQTSA-N 266.325 3.587 30 20 CHED C#CCCCCCC(=O)N[C@H](C#C)c1ccc(Cl)cc1 811947827 PXMDCPIWDBBOOV-MRXNPFEDSA-N 287.790 3.714 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(F)ccc1OC 812224121 BFXSVGWPSZOJDN-UHFFFAOYSA-N 297.333 3.629 30 20 CHED Cc1nn(C)c(Cl)c1/C=C1/CCc2ccccc2C1=O 812487228 YFDPUQDZPOWYAG-XFXZXTDPSA-N 286.762 3.594 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@H](COC)C1 812493529 MXDJBLRRXAHERU-INIZCTEOSA-N 296.455 3.581 30 20 CHED N#CCCCC(=O)OC/C=C\c1ccc(Cl)cc1 812614768 WFTKWLJJCVLCKM-ARJAWSKDSA-N 263.724 3.590 30 20 CHED C[C@H](CCOC(=O)CCCC#N)c1c[nH]c2ccccc12 813094803 WIVTUUHGHPOLLA-CYBMUJFWSA-N 284.359 3.899 30 20 CHED CCOc1cc(C=NOCCC2CC2)ccc1OC(F)F 814246176 FMAAGZPKCHFRSC-UHFFFAOYSA-N 299.317 3.837 30 20 CHED CO[C@](C)(C=NOc1ccccc1C(F)(F)F)C1CC1 814887702 KWNUJQFKLQVLCY-CYBMUJFWSA-N 287.281 3.885 30 20 CHED CCOc1ccc(NN=C(C)c2ccc3c(c2)CCO3)cc1 814983046 AFPHQVIRQYYOET-UHFFFAOYSA-N 296.370 3.856 30 20 CHED C#Cc1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 817884757 XWXFWEMQIYHPEN-UHFFFAOYSA-N 275.351 3.799 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1ccc(NC(=O)C(C)C)cc1 819369057 RYKHGSMQPQMENC-UHFFFAOYSA-N 289.375 3.789 30 20 CHED CCC(=NN[C@@H](C)c1ccncc1)c1cc(F)ccc1F 819815551 AYBMDGXVZKIDOP-NSHDSACASA-N 289.329 3.825 30 20 CHED CCCC[C@@](C)(F)C(=O)N[C@H](C)c1ccc(C#N)cc1 821048533 DGUCHOXRGUOXQV-MLGOLLRUSA-N 276.355 3.654 30 20 CHED C[C@H]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 821480910 FNEFUPWYJXJIGF-JTQLQIEISA-N 291.420 3.791 30 20 CHED C=CCNCc1ccc(N(C)Cc2cccs2)cc1 824242435 ONNXDCWQWHTVSI-UHFFFAOYSA-N 272.417 3.660 30 20 CHED C[C@H](C#N)OC(=O)C(F)(F)c1cccc(Cl)c1Cl 829860470 QNIZKXFVEBGRDC-ZCFIWIBFSA-N 294.084 3.540 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1 831009638 AKKUEKLTUWUDAZ-MRXNPFEDSA-N 299.414 3.739 30 20 CHED CCCCCCCCc1nc(-c2n[nH]c(C3CC3)n2)no1 834878288 AFADILLLAFFSTR-UHFFFAOYSA-N 289.383 3.635 30 20 CHED CC(CCCc1cccnc1)=NNc1ccccc1[N+](=O)[O-] 834916298 YLUJNSQDMYFJPG-UHFFFAOYSA-N 298.346 3.801 30 20 CHED CC1(c2ccccc2)CCC(=NNc2ccncn2)CC1 835000947 IJIZIUKCCAFVFQ-UHFFFAOYSA-N 280.375 3.776 30 20 CHED CCCN(C(=O)c1ccc(C#N)[nH]1)c1ccc(CC)cc1 836850995 UQWQPYCLCPPEFY-UHFFFAOYSA-N 281.359 3.506 30 20 CHED C=CCC1(CNC(=O)c2scnc2Cl)CCCC1 836990984 MTTQZQQEYPYQDF-UHFFFAOYSA-N 284.812 3.663 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2CCCCC2(F)F)c(F)c1 837824706 FZMNRCPSGKROFX-GFCCVEGCSA-N 297.276 3.566 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(C(C)C)n1 839055089 DXDMNDOHDDAVLY-ZIAGYGMSSA-N 286.375 3.753 30 20 CHED C[C@@H](CCC#N)N1CCC(c2ccc(F)cc2)CC1 839503366 RWCQBZWEGDQKIZ-ZDUSSCGKSA-N 260.356 3.697 30 20 CHED N#CC1(CCOC(=O)c2ccoc2Cl)CCCCC1 840496408 VMJOBAHOHUXLGN-UHFFFAOYSA-N 281.739 3.954 30 20 CHED CCCc1ccc(C(=O)/C=C/c2cc(C)n(C)n2)cc1 840716456 YBJXZGHZUIMNHX-ZHACJKMWSA-N 268.360 3.577 30 20 CHED Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 840894764 SJSYLJHQDHVXDL-LZLYRXPVSA-N 299.462 3.664 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2nc(Cl)c(C#N)s2)C1 841225788 YDIHWNRPIPASDS-BDAKNGLRSA-N 297.811 3.823 30 20 CHED C[C@H](OC(=O)[C@H](C)c1ccc(Cl)cc1)C(C)(C)C#N 845497046 SWQLJAUEOHVGRI-MNOVXSKESA-N 279.767 3.925 30 20 CHED CCCN(C(=O)[C@H](C#N)CC)c1ccc(CC)cc1 846238842 FVBKIVYVQOAKFG-AWEZNQCLSA-N 258.365 3.542 30 20 CHED Cc1cc(C#N)ccc1N[C@@H]1CC[C@@H]2SCCS[C@@H]21 846754858 UVBDVUWEMGYTOC-QLFBSQMISA-N 290.457 3.658 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1cccc2sccc12 847118780 DRTGEXHGDPOVHS-LLVKDONJSA-N 276.357 3.788 30 20 CHED C[C@H]1CCCC(=NNc2ccc(CC(=O)O)cc2)[C@H]1C 848413941 FOVIZSKNYIUFNJ-RYUDHWBXSA-N 274.364 3.538 30 20 CHED O=C(O)Cc1ccc(NN=CC2CCCCCC2)cc1 848415217 JMLMPXAEWHVNJB-UHFFFAOYSA-N 274.364 3.682 30 20 CHED O=C1/C(=C/c2ccnn2CC2CC2)CCc2ccccc21 849241714 LQYGTTBSWUGUPM-RVDMUPIBSA-N 278.355 3.506 30 20 CHED CCc1ccccc1NC(=S)N1CCC[C@H](CC#N)C1 849273754 XYMQGSYYLYJGBH-CYBMUJFWSA-N 287.432 3.571 30 20 CHED C=CCCN[C@@H](C)c1cc(Br)cc(F)c1O 850502707 VDTSPUUBEFYHBD-QMMMGPOBSA-N 288.160 3.521 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(Cl)cc1F 851212269 IASMCMQZRCXIGS-VIFPVBQESA-N 283.730 3.964 30 20 CHED C=C[C@H](OC(=O)[C@H]1CCO[C@H](CC)C1)c1ccccc1 851451626 KCUJMMDROGRIGB-XHSDSOJGSA-N 274.360 3.662 30 20 CHED C=C(C)[C@H](NC(=O)N[C@@H]1C=CCC1)c1ccc(F)c(F)c1 852257163 JTQGOPASLSFPOU-DOMZBBRYSA-N 292.329 3.600 30 20 CHED Cc1ccc2c(c1)CN(c1snc(Cl)c1C#N)CC2 853789500 XAQQUUIEHZXZDA-UHFFFAOYSA-N 289.791 3.539 30 20 CHED C#CC[C@@H](NC(=O)N(CC)[C@H](C)CC)c1ccccc1 853911841 WMDRCMLEQKJXSC-GDBMZVCRSA-N 272.392 3.581 30 20 CHED CC(C)C#CC(=O)N(Cc1ccccc1Cl)CC1CC1 854419644 TVTALFISJIOCNM-UHFFFAOYSA-N 289.806 3.738 30 20 CHED C#CCC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1 855151336 LULGDVPUMBELPK-UHFFFAOYSA-N 284.186 3.659 30 20 CHED N#CC1(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)CCCC1 863639537 SXCFSQCDCHINDS-CQSZACIVSA-N 288.778 3.527 30 20 CHED C=C1CCC(C(=O)Nc2ccc(F)c(OC)c2)CC1 890100891 BQPDNMPSLHOSIP-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C=C1CCC(c2nc(-c3cccnc3OCC)no2)CC1 896029548 LEEURXAOVZSILQ-UHFFFAOYSA-N 285.347 3.744 30 20 CHED CC[C@@H](N[C@H](C)c1c(C)noc1C)c1cccc(C#N)c1 902803109 FSKQGBPABZVOOF-BDJLRTHQSA-N 283.375 3.965 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(C#N)c1 902843292 NTJPYIXPURVNNG-FJIDUMEYSA-N 284.403 3.557 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)c1c(C)n[nH]c1C)c1ccccc1 910072251 OAMWORRMFCQNRP-BLLLJJGKSA-N 297.402 3.564 30 20 CHED C=CCN(C(=O)c1cc2ccccc2s1)C(C)C 914682734 DCVUKVAILSKKFP-UHFFFAOYSA-N 259.374 3.938 30 20 CHED FC(F)(F)c1cccnc1NN=C[C@H]1CC=CCC1 915051445 UNUXVSCGEGCDBI-JTQLQIEISA-N 269.270 3.854 30 20 CHED C[C@@H](C=NNc1ccc(C(=O)O)cc1)c1ccccc1 916240670 JSDXTUVADKWNLN-LBPRGKRZSA-N 268.316 3.586 30 20 CHED C[C@@H](CC(=O)OCc1cccc(C#N)c1)c1ccc(F)cc1 917996751 VRFPXVUUEDQYPW-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED C=CCN(C(=O)c1cc(C)n(C(C)C)c1C)C(C)C 918701047 JBRMXGDKLHBJCL-UHFFFAOYSA-N 262.397 3.722 30 20 CHED C=C(Br)CSc1nc2ccccc2nc1C 918716006 RXUIDPLOQDZCAV-UHFFFAOYSA-N 295.205 3.939 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)/C=C/CCC 920742407 OTXXYLABWAUGQI-IZZDOVSWSA-N 261.340 3.697 30 20 CHED CCOc1ccccc1/C=C1/COc2c(F)cccc2C1=O 921265962 GWYZBEHJVXLYSY-RAXLEYEMSA-N 298.313 3.883 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H](C)Oc1ccccc1F 925156743 LKXNSBOVPKFICW-QWHCGFSZSA-N 278.371 3.511 30 20 CHED C=CCCN[C@@H](c1ccc(CC)cc1)c1cccnc1 926685025 JURQWMWSVCPCOW-SFHVURJKSA-N 266.388 3.899 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@@H](C#N)C1 928220624 JOFJLQYZXGWMDD-JKSUJKDBSA-N 276.424 3.745 30 20 CHED CC(C)C[C@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 928220961 KXFNDZZCOFQTOD-WBVHZDCISA-N 284.403 3.578 30 20 CHED C=CCN(C(=O)CCc1ccc(SC)cc1)C(C)C 931932251 SNKRAAFNPADCMY-UHFFFAOYSA-N 277.433 3.764 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](c2cccc(F)c2)C1 932058496 PBJQCGTWTCAQCG-DZGCQCFKSA-N 275.367 3.744 30 20 CHED CC[C@H](CC#N)N[C@@H](C)Cc1ccccc1Cl 1116639469 XODWYPALNGBQDM-WCQYABFASA-N 250.773 3.553 30 20 CHED C=CCCCCCN(C)C(=O)c1c(F)ccnc1Cl 1123689472 RHZJIWMZBUGIQI-UHFFFAOYSA-N 284.762 3.693 30 20 CHED N#Cc1ccsc1C(=O)O[C@@H]1CCCOc2ccccc21 1127280862 OCZDCBTVYCHKRH-CQSZACIVSA-N 299.351 3.690 30 20 CHED C[C@H](OC(=O)c1cc(C#N)ccc1F)c1ccccc1F 1127770525 XELBEKZVAXHIFX-JTQLQIEISA-N 287.265 3.754 30 20 CHED Cc1ccc(C(F)(F)F)c(NC(=O)c2ccc(C#N)o2)c1 1131185558 YEQPJYBXRJFTKI-UHFFFAOYSA-N 294.232 3.731 30 20 CHED N#Cc1ccc(Cl)cc1Oc1cc(C(F)F)ncn1 1162799901 OVRMUJRLFJLSEK-UHFFFAOYSA-N 281.649 3.732 30 20 CHED Cc1nsc(N[C@H]2CCC[C@H](C(C)C)C2)c1C#N 1185298713 KYDXEBLGXPORHE-RYUDHWBXSA-N 263.410 3.950 30 20 CHED C#CCCOc1ccc(-c2nnc([C@@H](C)CC)o2)cc1 1261575208 YZYRQXKRPLFHIX-LBPRGKRZSA-N 270.332 3.652 30 20 CHED C=CCC1(NC(=O)C[C@H]2CNc3ccccc32)CCCC1 1263157697 HBWZEXLZYFLXKJ-AWEZNQCLSA-N 284.403 3.591 30 20 CHED CCCC[C@@H](C(=O)[C@H](C#N)c1cc(C)nc(C)n1)C(C)C 1263296941 XBDOWZJRAXTPIR-HUUCEWRRSA-N 287.407 3.732 30 20 CHED CCC[C@@H](CC)C(=O)Nc1cc(C#N)ccc1NC1CC1 1296944441 VTEQRIGQBCCQNP-CYBMUJFWSA-N 285.391 3.897 30 20 CHED N#Cc1cnccc1/C=C\c1ccc(N2CCCC2)cc1 1323519811 SSFYGHSDDZFYPV-UTCJRWHESA-N 275.355 3.724 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](c1ccccc1C)C1CC1 1327598254 BDHRCBVEYWKAOS-SFHVURJKSA-N 296.414 3.501 30 20 CHED Cc1cc(C=NN=C2c3ccccc3-c3ccccc32)ncn1 1327776690 HHSLSAVSQFNXLN-UHFFFAOYSA-N 298.349 3.637 30 20 CHED C=CCC1(C(=O)Nc2nc(C)ncc2C)CCCCC1 1333530989 UZSFUGPNNXPQFY-UHFFFAOYSA-N 273.380 3.559 30 20 CHED C=C1CCN(c2ncc(F)c(-c3ccsc3)n2)CC1 1336504658 YSMMKTIPWRMEPN-UHFFFAOYSA-N 275.352 3.501 30 20 CHED CC1(CCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)CC1 1343403884 HVEBLHAMUGSVSJ-AWEZNQCLSA-N 278.355 3.991 30 20 CHED C=C(CC)C(=O)N(CC)Cc1cccc(Cl)c1 1347315477 SDCUJVHZNNXNQI-UHFFFAOYSA-N 251.757 3.655 30 20 CHED Cc1ccc(NN=Cc2cn(C)nc2C(F)F)cc1Cl 1347421778 GRDFXWYSCTUTDI-UHFFFAOYSA-N 298.724 3.766 30 20 CHED CCc1ccc(N(CC)C(=O)c2csc(C#N)c2)cc1 1347771757 URDHNQMKASBVQS-UHFFFAOYSA-N 284.384 3.849 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C#N)s2)c1 1358046301 ZXAXVMRDFSPPTO-GFCCVEGCSA-N 284.384 3.728 30 20 CHED Cc1ccc(N(C)C(=O)c2ncc(C#N)cc2Cl)cc1C 1358317061 NWITVDXXRXXGND-UHFFFAOYSA-N 299.761 3.500 30 20 CHED Cc1nc(C#N)cc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 1458336090 AGHKFAGVYXZBML-MQMHXKEQSA-N 298.777 3.668 30 20 CHED N#CCC1(CN2CCC[C@@H]2CCc2ccccc2)CC1 1459333598 JXGWRMWBUIHEFG-QGZVFWFLSA-N 268.404 3.777 30 20 CHED Cc1cc(N2CCC(CCC(C)C)CC2)ncc1C#N 1472724988 RMRDWAIUSSGQTK-UHFFFAOYSA-N 271.408 3.914 30 20 CHED Cc1cc(C)c(C#N)c(SCc2cc(Cl)ccn2)n1 1472917981 CWTGAEIRAVNJBG-UHFFFAOYSA-N 289.791 3.911 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@H]2CCCCC2(C)C)n1 1523624962 MZGAQZWNBQGJJC-CQSZACIVSA-N 285.391 3.807 30 20 CHED Cc1ccc(C)c(C(=O)Nc2nc(Cl)c(C#N)s2)c1 1525766386 SWNPLKQWQBMTQW-UHFFFAOYSA-N 291.763 3.537 30 20 CHED Cc1cc(C#N)cc(NC(=O)C(C)(C)CC(C)C)c1 1528379676 WROPTSPVGRBYEL-UHFFFAOYSA-N 258.365 3.878 30 20 CHED C[C@@H](NC(=O)c1csc(C#N)c1)c1cc2ccccc2o1 1538623909 LOVOUKNATBELPD-SNVBAGLBSA-N 296.351 3.857 30 20 CHED CCN(CCC#N)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 1543457556 HTBLNSSZJVYLQA-NWDGAFQWSA-N 290.329 3.507 30 20 CHED CN(C(=O)CCc1ccccc1)c1ccc(C#N)c(Cl)c1 1543991635 HRCZGBJKYMKKLM-UHFFFAOYSA-N 298.773 3.807 30 20 CHED CCCc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)s1 1544397136 OLWSEJIEBHNKEQ-UHFFFAOYSA-N 288.347 3.964 30 20 CHED Cc1cc(C#N)cc(C)c1CN1CCNc2ccccc21 1579553748 AOAPCKNHDVRJTF-UHFFFAOYSA-N 277.371 3.607 30 20 CHED C=CC[C@H](C(=O)O)N1C[C@H](c2ccccc2)c2ccccc21 1588729472 QUANKIANLFWLRB-SJLPKXTDSA-N 293.366 3.668 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 1595801332 SPPWWOIRZNGXIS-GUYCJALGSA-N 296.345 3.581 30 20 CHED C=CC[C@H](N[C@@H](C)c1cccc2ccccc12)C(=O)O 1602841742 FDGUJJYBISZLHI-LRDDRELGSA-N 269.344 3.520 30 20 CHED O=C(O)c1csc(C(=O)/C=C\c2ccc3c(c2)CCC3)c1 1610870543 LXEHCOXIGFYCLI-ALCCZGGFSA-N 298.363 3.831 30 20 CHED CC(C)[C@H]1CCN1Cc1cc(C#N)ccc1Br 1621200322 HQYMUCVEQUHGBN-CQSZACIVSA-N 293.208 3.551 30 20 CHED Cc1cc2c(NC(=O)[C@@H]3CCCC3(C)C)n[nH]c2cc1C#N 1628458265 JGARWPUHMIOZCO-ZDUSSCGKSA-N 296.374 3.508 30 20 CHED Cc1nc(N2CC[C@H](C)C(C)(C)C2)c(Cl)cc1C#N 1639757228 FVQZBXJDLPDLBP-JTQLQIEISA-N 277.799 3.788 30 20 CHED C=C(Br)CN(c1ccccc1)C1CC1 1653612766 JAONQFWWHUQXNB-UHFFFAOYSA-N 252.155 3.564 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cc(C#N)ccc2F)cc1C 1678269351 BHSZLDUTDQMMRB-UHFFFAOYSA-N 297.333 3.983 30 20 CHED Cc1c(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cccc1C(=O)O 1776086516 ZAWBMTGXDIEUMU-NGFQHRJXSA-N 298.386 3.917 30 20 CHED C=C(C)CCCN1CCC(CC(C)C)(C(=O)O)CC1 1776138682 DBQDXULFJCBSFA-UHFFFAOYSA-N 267.413 3.556 30 20 CHED CSc1ccc(CNc2ccccc2C#N)cc1 20090043 MTPPCKRWQPGIBU-UHFFFAOYSA-N 254.358 3.892 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(CCCC#N)C2CC2)o1 51183298 OUZUHVSCGKMECP-WFASDCNBSA-N 258.365 3.671 30 20 CHED N#Cc1ccsc1C(=O)Nc1cccc(-n2cccc2)c1 52222454 DTHCPANTRRDCIZ-UHFFFAOYSA-N 293.351 3.663 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC[C@H](C)c2ccccc21 69354093 TVEXREHKDKKPQM-KBPBESRZSA-N 273.376 3.508 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@H](C(C)C)CC2)n1 71029197 OXFYPQGUGNFJCG-HNNXBMFYSA-N 271.408 3.833 30 20 CHED N#CCCN(Cc1cccs1)Cc1cccs1 71115068 CDSKFQJAIDXVDV-UHFFFAOYSA-N 262.403 3.725 30 20 CHED C#CCN(C(=O)Nc1ccccc1)[C@H]1CCc2ccccc21 71950905 KQLCMNSMNDRTDK-SFHVURJKSA-N 290.366 3.841 30 20 CHED CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H](C)C(C)C 74917261 IZXIWTAEZNMYKQ-UONOGXRCSA-N 287.407 3.695 30 20 CHED C[C@@H](NCc1cccc2cccnc12)c1ccc(C#N)cc1 75755624 NPICHPBYGWXTBE-CQSZACIVSA-N 287.366 3.957 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 76067574 XKHCUNFYWGIJDY-GJZGRUSLSA-N 292.423 3.803 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H](C3CC3)C2)cc1 77898356 ZAYJQZTUGUTQNI-IRXDYDNUSA-N 254.377 3.617 30 20 CHED CCc1ccc([C@H](C)CC(=O)Nc2ccc(C#N)cn2)cc1 78109817 DZKMNLLREWUNDM-CYBMUJFWSA-N 293.370 3.648 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1CSc2ccccc21 83748557 JRTLGAGMVAMJRZ-CQSZACIVSA-N 270.332 3.956 30 20 CHED C=CCOc1ccc(OCc2nc(C)c(C)s2)cc1 88521337 QHGGGJGGMWKTNJ-UHFFFAOYSA-N 275.373 3.904 30 20 CHED CC[C@H](C#N)NC(=O)c1c(Cl)ccc(Cl)c1Cl 90501733 GFCQPIAAOSUNMK-ZCFIWIBFSA-N 291.565 3.679 30 20 CHED C[C@@H]1c2ccsc2CCN1c1ccc(C#N)c([N+](=O)[O-])c1 94593083 PWFBTOKWIMFNGV-SNVBAGLBSA-N 299.355 3.652 30 20 CHED N#Cc1ccc(NC(=O)CCCCCc2cccs2)nc1 110287006 UOYPCBVUYSZARG-UHFFFAOYSA-N 299.399 3.756 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CC1CC1 112723015 DRHBVMDDWNDRHM-AWEZNQCLSA-N 299.418 3.668 30 20 CHED C[C@@H](CC#N)OC(=O)Cc1coc2ccc3ccccc3c12 113691317 DPHLBJULKWSFNW-LBPRGKRZSA-N 293.322 3.974 30 20 CHED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Cc2cc(F)ccc21 114992203 NSSLBYNKFARXKW-WUXMJOGZSA-N 283.258 3.556 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-c2ccccc2F)o1 116863603 UKPHFGNRISBALX-LLVKDONJSA-N 273.307 3.780 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1OCC(F)F 120108262 NMGUCSNWOUQRDY-UHFFFAOYSA-N 296.317 3.536 30 20 CHED C=CCC[C@@H](NCC(=O)Nc1ccc(Cl)cc1)C1CC1 120604959 LNSLAIJDHXDTCU-OAHLLOKOSA-N 292.810 3.613 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)c1cccnc1)c1ccccc1 123715521 PUKNRTOFEBXVEK-HUUCEWRRSA-N 280.371 3.619 30 20 CHED CC[C@@H](C#N)SCc1cccc(OC(F)F)c1 127797198 AKKOPYBNIHWFMO-NSHDSACASA-N 257.305 3.823 30 20 CHED CCCCCCCCCN(C)C(=O)Nc1cnn(C)c1 128226648 ZTMDUZVFEPVPJW-UHFFFAOYSA-N 280.416 3.634 30 20 CHED C[C@@H](C(=O)Nc1cccc(C#N)c1)c1c(F)cccc1F 128767148 DWECHSNKCXDHQC-SNVBAGLBSA-N 286.281 3.579 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1C#N 131011422 UMWWYQQYTOASFU-CYBMUJFWSA-N 284.359 3.640 30 20 CHED Cc1cccc(-c2cncc(C(=O)O[C@@H](C)CC#N)c2)c1 132299299 FMUTVDCPOZMOAK-ZDUSSCGKSA-N 280.327 3.516 30 20 CHED CCn1cc(C(=O)/C=C/c2cc3cc(F)ccc3o2)cn1 132623371 WBCFKBYOONZWSQ-SNAWJCMRSA-N 284.290 3.684 30 20 CHED CCCCCCC[S@](=O)Cc1cnc(C)s1 133394457 QJRFSWJXLCIRJE-MRXNPFEDSA-N 259.440 3.671 30 20 CHED C=CCCCOc1ccc(OC)cc1Br 135099567 XNWPRKDRCRWSKG-UHFFFAOYSA-N 271.154 3.803 30 20 CHED C#CCOc1ccccc1CNc1cccc(OCCF)c1 152098213 OQLIFSJTQGZRBN-UHFFFAOYSA-N 299.345 3.659 30 20 CHED CC#CCCSc1nnc(C[C@H](C)c2ccccc2)o1 154854548 CKXAXMFWRGFROI-ZDUSSCGKSA-N 286.400 3.921 30 20 CHED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 155820189 RPJGKJBJYOBTGY-QZTJIDSGSA-N 296.414 3.576 30 20 CHED CC1(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CCC1 157965092 XFGYRNPVDLINPS-LLVKDONJSA-N 297.185 3.864 30 20 CHED CCSCC[C@@H](C)Nc1ccc(F)cc1C#N 158746792 CCPIELJHRUGATJ-SNVBAGLBSA-N 252.358 3.641 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1Cc2ccc(Cl)cc2C1 158849527 GOLHAGCVIVJMNO-CYBMUJFWSA-N 286.737 3.930 30 20 CHED Cc1nc2ccc(NCc3ccc(C#N)s3)cc2o1 159006011 RWZCKFRMKUXPFV-UHFFFAOYSA-N 269.329 3.682 30 20 CHED CC(C)(C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 161150718 WWBORAZGRLTHKQ-LLVKDONJSA-N 285.174 3.720 30 20 CHED CCO[C@@H](C)c1noc(CSCCCC(C)(C)C#N)n1 161834192 WNXKXHBQVZOAQQ-NSHDSACASA-N 297.424 3.730 30 20 CHED CCN(C[C@H]1CCCO1)c1ccc(C(F)(F)F)c(C#N)c1 164430861 JOAGDNIYJHAFBD-CYBMUJFWSA-N 298.308 3.582 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCC2(C)COC2)cc1 164460566 HDIMNIQCIFHEMS-ZDUSSCGKSA-N 295.810 3.505 30 20 CHED C=C(Br)CN[C@@H]1CCC(C)(C)C[C@H]1C 168203740 ZIXXIGMYXDCSEL-MWLCHTKSSA-N 260.219 3.699 30 20 CHED C[C@H](CC(=O)NC1(C#N)CCCCC1)c1cccc(F)c1 172287489 MXECMBHYFODWMW-CYBMUJFWSA-N 288.366 3.662 30 20 CHED C#CCOc1ccc(F)cc1NCc1cccs1 174535315 VFQTYYCNEJUMQY-UHFFFAOYSA-N 261.321 3.511 30 20 CHED C=C(C)CCOC(=O)Cc1csc(-c2ccc(C)o2)n1 174799175 TXVPQAQGQROVGZ-UHFFFAOYSA-N 291.372 3.763 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(CC#N)c1 176689700 CTHPJOICUOBLET-CZUORRHYSA-N 284.403 3.697 30 20 CHED C=C[C@H](CC(=O)N(C)C1CCCC1)c1ccccc1 179420125 AHUZNMJAKMISPB-CQSZACIVSA-N 257.377 3.747 30 20 CHED COc1ccc([C@@H](C)CN(C)Cc2cccc(C#N)c2)cc1 179681984 MRBYPKBYIPRUPM-HNNXBMFYSA-N 294.398 3.802 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](CC)CSC 181089827 LQGDELZVULNGGA-QWHCGFSZSA-N 272.458 3.514 30 20 CHED C=CCCN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 181576981 LGPHQAGUIQCEHE-LBPRGKRZSA-N 263.356 3.841 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(-c2ncco2)cc1 182621290 VDKCKRGPDJCBDW-UHFFFAOYSA-N 283.331 3.548 30 20 CHED CC#CCCCC(=O)Nc1cccc(SCC)c1 185563698 JSQZBZKWJYVQOG-UHFFFAOYSA-N 261.390 3.931 30 20 CHED C=CC[C@H](C(=O)N1CCC(C)CC1)c1ccccc1 187342092 BGNULKKECPPLCW-INIZCTEOSA-N 257.377 3.605 30 20 CHED C=CC[C@@H](C(=O)N1CCCC2(CC2)C1)c1ccccc1 188272350 HVTAVKJAOYZOBL-MRXNPFEDSA-N 269.388 3.749 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 188765455 SCZHFPPDBGSTHF-MJGOQNOKSA-N 297.398 3.592 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](CC)c1ccccc1 189945498 ZKOTVEBEKJEPSK-WMLDXEAASA-N 259.393 3.899 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3cc(F)ccc32)CCC1 190019885 JVJLPTPLZLLAFS-HNNXBMFYSA-N 273.351 3.676 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c(OC)cc1OC 191801542 IXXIPDKGMZPMMW-HNNXBMFYSA-N 297.782 3.898 30 20 CHED CCCc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1 192721361 MMXGIZHODVMFDE-UHFFFAOYSA-N 293.370 3.832 30 20 CHED CCCOc1ccc(/C=C/c2ccc(C#N)cn2)cc1OC 193446979 FDGSCMFYQOEOOH-QPJJXVBHSA-N 294.354 3.921 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc(Cl)c(F)c3)nc2c1 230154396 IVNUBYKKSIREBN-UHFFFAOYSA-N 271.682 3.894 30 20 CHED C=CCSCCNc1ncc(Cl)cc1Cl 231955298 BWVZOMMNTDGAMM-UHFFFAOYSA-N 263.193 3.720 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 234008796 HUWAJHOZACFYLD-GXTWGEPZSA-N 291.376 3.553 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)NCc1cccc(C#N)c1 237016662 KFJIHSRDSSKOMJ-IBGZPJMESA-N 278.399 3.978 30 20 CHED Cc1ccc(C[C@H](C)C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 245527453 PUJMGSXADHPSLG-GJYPPUQNSA-N 298.430 3.762 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](C)c1cc2ccccc2o1 246004334 JOGVDOYEGYSYQM-ZFWWWQNUSA-N 273.376 3.753 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@@](C)(C#N)CCc2ccccc2)C1 246774090 WTIMESQQKAMCOE-HHXXYDBFSA-N 298.430 3.844 30 20 CHED Cc1ccsc1CN(C)Cc1ccccc1C#N 253599203 MHEXZPRCZFJKNZ-UHFFFAOYSA-N 256.374 3.560 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1coc2ccccc12 255844463 LNQFRHWZKLIRIY-HJWRWDBZSA-N 280.327 3.625 30 20 CHED C/C=C(/C)C(=O)[C@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 255870518 PWLQBBRWVCVRLX-LKGNFHJTSA-N 298.386 3.814 30 20 CHED C=CCC1(CNCc2ccc(C(=O)O)cc2)CCCC1 263421522 OYRMFTHZQDBTFP-UHFFFAOYSA-N 273.376 3.611 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@H](C)c1ccccc1F)OCC 270024680 JZQMWKPOQUXZEP-CZUORRHYSA-N 293.382 3.716 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@H](C)c1cccs1)OCC 270060740 USIHDDXAIZVNPL-CHWSQXEVSA-N 281.421 3.639 30 20 CHED CCCCCCCCCC(=O)N(C)CCc1cnccn1 271730396 ZIAULZMPFNEMKV-UHFFFAOYSA-N 291.439 3.618 30 20 CHED C[C@@H](N[C@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 271868240 MANAIIMAIPUNEW-DNVCBOLYSA-N 294.398 3.723 30 20 CHED Cc1ccsc1CN[C@@H](C)c1ccc(C#N)c(F)c1 271910593 ALJXRIFHVKTSSI-NSHDSACASA-N 274.364 3.918 30 20 CHED C=C(C)CNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 275037168 PPWWBJYJUFZEON-SECBINFHSA-N 272.175 3.789 30 20 CHED Cc1sc2nc(S[C@@H](C)CCC#N)nc(N)c2c1C 276142453 BQQXANHTFSRMOE-ZETCQYMHSA-N 292.433 3.675 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)CC(C)(C)C#N)cc1 278264241 ODSDDQVTDODVJJ-GFCCVEGCSA-N 274.364 3.742 30 20 CHED N#C[C@H]1CC[C@H](Sc2ccc(C(F)(F)F)cn2)C1 278517101 FYNCEADRVMORHG-WPRPVWTQSA-N 272.295 3.885 30 20 CHED CCN(Cc1ccc(Cl)s1)[C@@H]1CC[C@H](C#N)C1 278578710 JWSWCJCPMQYSFN-WDEREUQCSA-N 268.813 3.916 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3cccc(F)c3)C2)C1 280534100 ACMUVWIUIWWQSH-ODVANORSSA-N 272.367 3.744 30 20 CHED CCN(CC)C(=O)c1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 280669839 LYKXPLQNFHTDJW-PBHICJAKSA-N 299.418 3.663 30 20 CHED CSCc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 285567763 GKGNGEVDQUUALX-HZPDHXFCSA-N 274.433 3.722 30 20 CHED C[C@H]1C[C@@H](C(=O)N(CCC#N)Cc2ccco2)CC[C@H]1C 294394813 CPPQEECIJYWZDZ-ILXRZTDVSA-N 288.391 3.594 30 20 CHED N#CCOc1ccc(CN[C@H]2CCCC23CCCC3)cc1 294843851 SBAGRKURLJFZMU-KRWDZBQOSA-N 284.403 3.791 30 20 CHED CS[C@@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C1 295016248 PZFOCXJFPMPIPS-SNVBAGLBSA-N 286.322 3.519 30 20 CHED Cc1ccc([C@@H](CNc2ccc(C#N)cc2)N2CCCC2)o1 301137369 CBVQQEWKHZBBQM-QGZVFWFLSA-N 295.386 3.709 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)Nc1nccnc1C#N 301149273 CFXAIUARRUZLAO-CYBMUJFWSA-N 280.375 3.517 30 20 CHED N#Cc1c(F)cccc1NCCCSc1nccs1 301268391 IVKUUBNLLATZEY-UHFFFAOYSA-N 293.392 3.748 30 20 CHED CC[C@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 301363908 NEYXPHRKTYVHCH-PWSUYJOCSA-N 298.308 3.581 30 20 CHED C[C@H]1CN(c2ccc(C#N)nc2)CC[C@@H]1c1ccccc1 301519180 CPQSFFLGHFDLPM-KSSFIOAISA-N 277.371 3.583 30 20 CHED CCOCCC1(CNc2cccc(F)c2C#N)CCC1 301729744 WUULXPPCPMNYOR-UHFFFAOYSA-N 276.355 3.706 30 20 CHED C[C@@H](Sc1cccc(C#N)n1)c1ccccc1F 301878966 ZGMDLVGSFNJPPC-SNVBAGLBSA-N 258.321 3.946 30 20 CHED N#Cc1ccc(Cl)cc1N1CCc2cc(F)ccc2C1 301910969 CDGBONFFQQMBBI-UHFFFAOYSA-N 286.737 3.913 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CCCCC23CCCC3)n1 308258378 LBHCSAZQAWLRHG-AWEZNQCLSA-N 270.380 3.572 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2ccc(Cl)s2)n1 308351104 YLTGBZIUGIODNQ-SSDOTTSWSA-N 278.768 3.545 30 20 CHED C=CCCCN[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 309860591 HYZUONWFUBSZMI-GJZGRUSLSA-N 296.455 3.626 30 20 CHED C[C@H](C#N)OCCNc1ccc(C(F)(F)F)cc1Cl 311778549 YBAJPCQIEFJJDI-MRVPVSSYSA-N 292.688 3.699 30 20 CHED C=CCC[C@H](CO)N[C@H](C)c1ccccc1C(F)(F)F 320270831 LLPMITVXNIIOMV-VXGBXAGGSA-N 287.325 3.683 30 20 CHED COCc1nc(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cs1 329645406 IQCJMJQMCMQUNH-QJPTWQEYSA-N 294.420 3.563 30 20 CHED C[C@@H]1CCC[C@](C#N)(/N=C(/O)[C@@H]2CCCSC2)C1 329782716 UOWYEJVBHAEQSI-BZPMIXESSA-N 266.410 3.559 30 20 CHED CC(C)c1nnc(C/N=C(/O)[C@H]2CC23CCCC3)s1 329798122 HORIYNCNFVQEPS-SNVBAGLBSA-N 279.409 3.698 30 20 CHED Cc1ccc(N=C(O)N2C[C@H]3CCC[C@H]32)cc1-c1ncco1 330136962 UPDQYIXUESOJDC-IUODEOHRSA-N 297.358 3.680 30 20 CHED C/N=C(/O)c1cc(NC(=O)[C@@H](C)C(C)(C)C)ccc1Cl 330801473 HVPFYDPMJVEOGE-SECBINFHSA-N 296.798 3.895 30 20 CHED Cn1cc(N[C@@H]2CCC[C@@H](C#N)C2)c(C2CCCCC2)n1 333579366 RDXGLAWTHMTWPD-UKRRQHHQSA-N 286.423 3.962 30 20 CHED Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC[C@@H](C)F 334476658 NXHYTVLAVXVFKX-SNVBAGLBSA-N 292.741 3.583 30 20 CHED C[C@H]1CCCN(Cc2ccc(Br)cc2C#N)C1 336713285 OLRBMPFUMOYFAE-NSHDSACASA-N 293.208 3.553 30 20 CHED COc1cc(C#N)ccc1Oc1nc(C)c(C#N)cc1Cl 336850792 ZIJFFNHBZPSNNH-UHFFFAOYSA-N 299.717 3.588 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@]2(CC=CCC2)C1 337822116 SKZIOVVVMGKUEF-GOSISDBHSA-N 298.434 3.668 30 20 CHED Cc1c(C#N)cccc1C(=O)NCc1ccc(Cl)s1 337869358 MOYWAQIZOJUAGN-UHFFFAOYSA-N 290.775 3.512 30 20 CHED N#Cc1cccnc1NC1CC(c2ccccc2Cl)C1 338831821 ULJGPWQZRAEATP-UHFFFAOYSA-N 283.762 3.965 30 20 CHED Cc1ccc2oc(SCc3cccc(C#N)c3F)nc2n1 342432786 JDVAPUNPBJVURE-UHFFFAOYSA-N 299.330 3.834 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(CN(C)C)ccc1C 343623645 PFGDHUFGFBXYTH-UHFFFAOYSA-N 286.419 3.764 30 20 CHED N#CCCCN[C@@H]1CCC[C@H]1CCc1ccccc1 346831820 MAFKKSSPOSHKPI-DLBZAZTESA-N 256.393 3.681 30 20 CHED COc1ccc2nc(/C=C/c3ccncc3C#N)sc2c1 349109598 NKQSOMDUAAOLNV-GORDUTHDSA-N 293.351 3.742 30 20 CHED Cn1ccc2cccc(NC(=O)NCC(C)(C)CCC#N)c21 351529697 MYCGRYSJUPWRIB-UHFFFAOYSA-N 298.390 3.630 30 20 CHED C[C@H](NC(=O)NCC(C)(C)CCC#N)C1CCCCC1 353719148 APTFBRWURRMIKP-ZDUSSCGKSA-N 279.428 3.584 30 20 CHED CC1(C)C[C@@H]1CNc1c(C#N)cnc2c(F)cc(F)cc12 354085812 KVLWYWHJLSIWMS-SNVBAGLBSA-N 287.313 3.843 30 20 CHED C=CCn1cccc1C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 355063080 XCEJBCFZIZFDQV-LPHOPBHVSA-N 294.398 3.598 30 20 CHED C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1(C)C 356787488 CQOCNGYZKONLOI-WBVHZDCISA-N 298.430 3.969 30 20 CHED CCC1CCC(c2noc(-c3ccc(C#N)c(C)n3)n2)CC1 357104599 MMJBOKCHUMSPAD-UHFFFAOYSA-N 296.374 3.996 30 20 CHED Cc1cc(Cl)cnc1NCc1ccc(C#N)s1 359465430 GPUJSRHSQHSFIX-UHFFFAOYSA-N 263.753 3.589 30 20 CHED COCCCC[C@@H](Nc1cccc(C#N)n1)c1ccccc1 359851770 GVOPMMVHOPJAAL-QGZVFWFLSA-N 295.386 3.923 30 20 CHED Cc1nc(N[C@@H]2c3ccccc3O[C@@H]2C)c(Cl)cc1C#N 359980245 BKZSKUAMRBAYDO-BMIGLBTASA-N 299.761 3.849 30 20 CHED CC(C)(C#N)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 373045262 ROHMZWKDWYLNRW-INIZCTEOSA-N 290.366 3.715 30 20 CHED CC1(C)CC(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 375837818 HQAFMCFCEIAMDX-SJORKVTESA-N 296.414 3.721 30 20 CHED N#Cc1c(Cl)cccc1NC[C@H]1CCCSC1 384101746 FDQNXNDWYQRDMS-SNVBAGLBSA-N 266.797 3.767 30 20 CHED N#Cc1ccc(CNCC2CCCCCC2)cc1F 404220906 KMJPVKNAFMSDQU-UHFFFAOYSA-N 260.356 3.757 30 20 CHED CC[C@H](CC(C)C)C(=O)N(CCC#N)C(C)(C)CC 410726834 YDFIMROGRTTZAH-CQSZACIVSA-N 266.429 3.990 30 20 CHED C=CCC[C@H](NCc1ccc(C)nn1)c1ccccc1 414362819 UECLBLXECPEYJI-KRWDZBQOSA-N 267.376 3.582 30 20 CHED CC[C@@H]1CC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 417369925 RZYJLBFGTSYIBR-COXVUDFISA-N 254.377 3.714 30 20 CHED N#CC1(CNCc2ccc(Cl)c3cccnc23)CCC1 418140811 KFBMIZYXNSZNMR-UHFFFAOYSA-N 285.778 3.672 30 20 CHED CC(C)c1ccsc1C(=O)N1CCc2c(C#N)cccc21 421651112 JDBOKERMWJGJSG-UHFFFAOYSA-N 296.395 3.946 30 20 CHED N#Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)s1 421895035 YIKSZGDYZIBTDT-MRXNPFEDSA-N 283.400 3.646 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(Cl)c1 424121548 IJFIQKOWNBRVOL-JFGNBEQYSA-N 266.747 3.822 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(OC(F)F)cc1 424535117 DUTADZFWVLAIPT-UHFFFAOYSA-N 283.318 3.507 30 20 CHED Cc1cccc(C2=CCN(c3cc(C)ncc3C#N)CC2)c1 425252560 ZXMWGAAYNYQART-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C=CC[C@@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 433280551 CJTMJDPCRKTRIN-IAQYHMDHSA-N 274.364 3.871 30 20 CHED CCC[C@@H](C)N(C)c1ccc(C(F)(F)F)c(C#N)n1 443512034 RRJQNELDYAPWAB-SECBINFHSA-N 271.286 3.597 30 20 CHED C[C@H](CN1CCC[C@@]2(CCCCO2)[C@H]1C#N)c1ccccc1 447913082 HXLGSNQTMWOYOO-QRQLOZEOSA-N 298.430 3.717 30 20 CHED CCc1nc(CCNC2CCC(C)(C#N)CC2)sc1C 449117379 UIRFNPVPPOFHCV-UHFFFAOYSA-N 291.464 3.619 30 20 CHED Cc1csc([C@@H](NC2CCC(C)(C#N)CC2)C2CC2)n1 449170024 FGJLTQYKIKEULV-BBBYJDLNSA-N 289.448 3.965 30 20 CHED C=CCC[C@H](CC)N[C@@H]1CCO[C@@H](c2ccccn2)C1 449616857 SAIDBLKXBSSQTA-ZMSDIMECSA-N 274.408 3.636 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@H](C)C1CCCCC1 450040109 HAWJGKFHRHOPJJ-NWDGAFQWSA-N 287.407 3.530 30 20 CHED N#Cc1c(Cl)cccc1NCC1(CCO)CCCC1 450365559 QOEPUYVGOSLLEZ-UHFFFAOYSA-N 278.783 3.566 30 20 CHED C=C(C)CN(CCc1cscn1)Cc1ccccc1 450890638 WBWAYHPCOABIGO-UHFFFAOYSA-N 272.417 3.764 30 20 CHED N#CCCCN1CC[C@H](c2cccc(Br)c2)C1 451573866 VAWQYEYESWOAPL-ZDUSSCGKSA-N 293.208 3.542 30 20 CHED C=CCC1(C(=O)N2CCCO[C@H](C(C)C)C2)CCCCC1 452167032 VJQIZYBUPFSIMP-INIZCTEOSA-N 293.451 3.787 30 20 CHED CC#CCCCC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452652246 ATRCSQGQRFPCPL-UHFFFAOYSA-N 298.386 3.868 30 20 CHED C[C@H](NC[C@H]1CCCC1(F)F)c1ccc(C#N)c(F)c1 453312804 CELPERCKMNFQTH-GXFFZTMASA-N 282.309 3.783 30 20 CHED Cc1csc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 453330999 ZDJCGLQKBKAXSL-LLVKDONJSA-N 274.364 3.918 30 20 CHED Cc1cc(Br)c(CNCCCCC#N)s1 453584721 HNRUCADYAYWADG-UHFFFAOYSA-N 287.226 3.603 30 20 CHED C=CCC1(CNC(=O)[C@H]2CCCc3cccnc32)CCCC1 456515820 YIIIONFVVYZURS-INIZCTEOSA-N 298.430 3.754 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N(C)Cc2cccc(C#N)c2)C1(C)C 457424826 PDMFZPDXQBTYJZ-LIRRHRJNSA-N 298.430 3.979 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc2c3c(cccc13)CC2 457986677 IXZHVAXXONRHAZ-UHFFFAOYSA-N 292.382 3.608 30 20 CHED N#Cc1ccc(Br)c(CSCC2CC2)c1 460864060 SQGUICVJSPSSLC-UHFFFAOYSA-N 282.206 3.964 30 20 CHED C[C@H](C(=O)N(C)CC1CCCCC1)c1cccc(C#N)c1 461897805 YQIGHXPMKOAPKL-AWEZNQCLSA-N 284.403 3.700 30 20 CHED CCCc1csc(NC(=O)[C@H](C)c2cccc(C#N)c2)n1 462585247 TZKCKKCGZPDRRP-LLVKDONJSA-N 299.399 3.709 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CC[C@H]3CCC[C@H]3C1)CCC2 462901867 YKUSRPVFVGPDQY-DVOMOZLQSA-N 281.403 3.823 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1SC 466408224 GCFXDAFGTDXQES-NSHDSACASA-N 264.394 3.885 30 20 CHED CC#CCCCC(=O)N(CCC)[C@@H]1CCc2ccccc2C1 466432644 YMFUZKAGGZLKSX-LJQANCHMSA-N 297.442 3.976 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1c(C)cccc1C 467096575 ZIYOGTWSVOHYPZ-CQSZACIVSA-N 260.381 3.582 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cn(CCCCC)nc1C 467981618 GFXQQPFILAYWLT-QGZVFWFLSA-N 291.439 3.600 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCC1Cc2ccccc2C1 467994327 MIHPHYWNARXYKI-SFHVURJKSA-N 271.404 3.510 30 20 CHED C[C@@H](C#N)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 469556506 NPJKZMSHBWINNH-SWLSCSKDSA-N 290.794 3.943 30 20 CHED C=CCCCC(=O)N(C)[C@H](COC)c1ccc(Cl)cc1 470564526 HHQSUGQYAPQQTI-OAHLLOKOSA-N 295.810 3.842 30 20 CHED C=CCOCCCN[C@H](CC)C(C)(C)c1ccccc1 470776635 KRSAZNURUGTVEZ-QGZVFWFLSA-N 275.436 3.925 30 20 CHED C=CCCCCN[C@@H](c1cccc(F)c1)c1nccn1C 473079139 FARKWEOPKNQZPR-INIZCTEOSA-N 287.382 3.595 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@@H](C(C)C)C1 474394334 HRNQAZOYDAYOPP-OAHLLOKOSA-N 287.403 3.760 30 20 CHED C=C(C)CNC(=O)N1CC=C(c2cccc(Cl)c2)CC1 474767455 JDKZTNYTCUMKDR-UHFFFAOYSA-N 290.794 3.715 30 20 CHED C=C(C)CN(C)C(=O)NCCCCc1ccc(F)c(F)c1 477736836 HQPBYYTYNBYLGB-UHFFFAOYSA-N 296.361 3.505 30 20 CHED COc1ccccc1/C=C/C=C/c1ncccc1C#N 486050652 HMTKIPNWOYSGRY-YZDOREHGSA-N 262.312 3.688 30 20 CHED COc1cc(C#N)cc(OCc2cccc(OC(C)C)c2)c1 486105910 DRFFPZZIELLCNR-UHFFFAOYSA-N 297.354 3.933 30 20 CHED Cc1nc(N(C)[C@H](C)c2ccc(F)cc2)ccc1C#N 487904053 BDNJOAXFQLHAEW-GFCCVEGCSA-N 269.323 3.598 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SCCC1CC1 488809873 AIKDGZOQVKYYQU-UHFFFAOYSA-N 272.295 3.864 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(Cl)c1Cl 491231608 UTVSLFZFXOSDJR-VHSXEESVSA-N 299.201 3.718 30 20 CHED COc1ccc(C#N)cc1NC(=O)Nc1cccc(C)c1C 502523745 YIHNYLPWDVCOCU-UHFFFAOYSA-N 295.342 3.828 30 20 CHED C=C(C)CCc1noc([C@@H](C)Cc2ccc(OC)cc2)n1 508680572 PWFIRKSMQKIUGM-ZDUSSCGKSA-N 286.375 3.933 30 20 CHED Cc1c(C#N)cccc1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 509457598 YZVJDYOITXMTNX-IFIJOSMWSA-N 282.387 3.660 30 20 CHED C[C@@](C#N)(NC(=O)CCc1cccs1)C1CCCCC1 517050614 YGFURFXSXMEWCL-INIZCTEOSA-N 290.432 3.659 30 20 CHED C=C(C)CN1CCC(NC/C(C)=C\c2ccccc2)CC1 518510296 HRAOFPWXOQIDIR-LGMDPLHJSA-N 284.447 3.720 30 20 CHED CC[C@H](CC(=O)N(CCC#N)CCC(C)C)C(C)C 519142424 NMUXZATVIPWETD-OAHLLOKOSA-N 266.429 3.847 30 20 CHED N#Cc1cc(F)c(NC[C@H]2CCc3ccccc3N2)c(F)c1 525706792 FKQOYYMVDKZABP-CYBMUJFWSA-N 299.324 3.675 30 20 CHED C=CCN(C(=O)Cc1c(CC)oc2ccccc12)C1CC1 528959844 HWBYISUESQRNGX-UHFFFAOYSA-N 283.371 3.715 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1CC 540486278 XUIGDTDERIICSP-IHRRRGAJSA-N 252.402 3.609 30 20 CHED Cc1ccc(C)c(OCCn2nc(C#N)c3ccccc32)c1 542337950 YINBWWICTCWMRE-UHFFFAOYSA-N 291.354 3.604 30 20 CHED N#Cc1csc(-c2nc(CC3CCCCC3)no2)c1 546383884 VTVKZLSSRWEUCM-UHFFFAOYSA-N 273.361 3.793 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 553920893 HLSYWYRRWUBODB-YCPHGPKFSA-N 272.392 3.744 30 20 CHED CC#CCCN(Cc1ccc(OC)cc1)C(C)(C)C 554747357 KPUHJOXWJQFEER-UHFFFAOYSA-N 259.393 3.709 30 20 CHED N#CC1(CNCc2cc(-c3ccccc3)cs2)CC1 555709855 PGXLFKGGWRRDBL-UHFFFAOYSA-N 268.385 3.808 30 20 CHED C=CCOCCSCc1ccccc1OCC 562828023 QGIZDDCMFIVOMV-UHFFFAOYSA-N 252.379 3.521 30 20 CHED N#C[C@@H](NC(=O)Cc1cccc(C2CC2)c1)C1CCCCC1 565526924 FEPAFAFRHXRTFO-GOSISDBHSA-N 296.414 3.695 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NC[C@H](C#N)CCC#N 569213840 GCSMEOMPDJKRTA-GOEBONIOSA-N 289.810 3.694 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc2c(OC)ccnc12 571504275 MTGIUFAFJDFKMQ-LBPRGKRZSA-N 299.374 3.720 30 20 CHED C=CCC1(NC(=O)Cc2ccc3c[nH]nc3c2)CCCCC1 573181018 SACFYONZSVAAJG-UHFFFAOYSA-N 297.402 3.501 30 20 CHED Cc1cc(CN(C)Cc2ccc(C#N)s2)ccc1F 574872127 YPRVPBPPNKVXLP-UHFFFAOYSA-N 274.364 3.699 30 20 CHED CC[C@H]1CCc2ccccc2N1Cc1ccc(C#N)cn1 575068580 OIVVHPGMLJRZQY-KRWDZBQOSA-N 277.371 3.685 30 20 CHED Cc1nc(CSc2cccc(F)c2C#N)oc1C 576455718 BXWMSNVESVMYBA-UHFFFAOYSA-N 262.309 3.595 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2ncccc2C#N)CC1 577310965 UPWBNAWJNWLEEB-IBGZPJMESA-N 291.398 3.901 30 20 CHED CC1(Cc2noc(-c3ccc(C#N)cc3)n2)CCCC1 579163304 XSMJMPVVCVRCDI-UHFFFAOYSA-N 267.332 3.731 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC(CCC#N)CC1 584229831 UKBUKHKPLXTNRM-CQSZACIVSA-N 267.376 3.635 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1cc(C#N)cc(C)n1 588033013 CSURLULSJYYVGN-ZROIWOOFSA-N 277.371 3.801 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H]2C[C@H]21 588066051 HLPKKJWEQAZZDT-ZUZCIYMTSA-N 283.762 3.749 30 20 CHED N#Cc1cc(N2CCC[C@H]3C[C@H]32)ccc1C(F)(F)F 588066610 TVHOMGGHBKUGMJ-TVQRCGJNSA-N 266.266 3.566 30 20 CHED CCc1ccc(NC(=O)CCCCCC#N)cc1C 588162953 WMNGZIOQDCTKGW-UHFFFAOYSA-N 258.365 3.970 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc(F)cc1 588489037 KJCQKSQMZRVTBN-DAXSKMNVSA-N 262.305 3.792 30 20 CHED CC(C)(C)c1cnc(NC(=O)CCCCCC#N)s1 588621172 LEYNHXKPHYHWRD-UHFFFAOYSA-N 279.409 3.853 30 20 CHED Cc1ccsc1-c1noc(CCCCCC#N)n1 589372970 ZRCCJETVUDARRY-UHFFFAOYSA-N 261.350 3.733 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc3c(c2)CCCC3)C1 590049828 KFEXPUFMHUEESJ-SFHVURJKSA-N 268.404 3.691 30 20 CHED CCCCN(CCOCCC#N)[C@H](C)c1ccc(C)o1 590156449 NYLHSASAMXTAEP-OAHLLOKOSA-N 278.396 3.681 30 20 CHED CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(C#N)nc1 593272957 GUXNNFFZSMDKEZ-RBSFLKMASA-N 297.402 3.523 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 593745027 YKFRUYRXNWBJPM-MUIFIZLQSA-N 284.403 3.625 30 20 CHED Cc1cc(C#N)ccc1-c1cccc(CO[C@@H]2CCOC2)c1 593951545 DWQKPQURLMGTMM-GOSISDBHSA-N 293.366 3.839 30 20 CHED CCC[C@@H](NCCc1ccc(C#N)cc1)C1CCC1 595056066 QEDQDINUXTYKQS-QGZVFWFLSA-N 256.393 3.659 30 20 CHED C=CCN(CCC#N)CC[C@H]1CCc2ccccc21 595502550 TZNPEVBKIAVJLZ-MRXNPFEDSA-N 254.377 3.508 30 20 CHED N#CC[C@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1 595614635 LVJPERZBSKVABX-GFCCVEGCSA-N 287.388 3.529 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)[C@@H]1c1cccnc1 596591006 RQEKYCWSQMADFV-GOSISDBHSA-N 291.398 3.731 30 20 CHED C=CCCSCCNC(=O)C[C@@H]1CCc2ccccc21 597968283 RJBBKGVIWVCQTK-HNNXBMFYSA-N 289.444 3.532 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](CC#N)c1ccccc1 598445074 SFQUNOILPNMGTE-ASDXVTRWSA-N 296.414 3.863 30 20 CHED N#CCC1(CSc2ccc(Cl)cc2C#N)CC1 601914005 TZRIAVVQIFOTBS-UHFFFAOYSA-N 262.765 3.998 30 20 CHED Cc1ccc([C@@H](CNC[C@@H](C)CCC#N)N2CCCC2)cc1 602533026 MXQOQEXRXXAXLY-PKOBYXMFSA-N 299.462 3.661 30 20 CHED CCCN1C(=O)CCc2cc(NC[C@H](C)CCC#N)ccc21 602604200 OOVXRZGOPDWQPM-CQSZACIVSA-N 299.418 3.728 30 20 CHED CC(C)Oc1ccccc1[C@@H](C)NCC1(CC#N)CC1 602802992 UHAIADJKNRPJLC-CQSZACIVSA-N 272.392 3.818 30 20 CHED CCCCC[C@H]1CCCN1C(=O)Nc1ccnc(C#N)c1 603130665 RZQKAHFLKQVIIS-HNNXBMFYSA-N 286.379 3.530 30 20 CHED COc1ccc(F)cc1[C@@H](C)N[C@@H](C#N)Cc1ccccc1 603955032 LZPHVBQXWLKPMX-CZUORRHYSA-N 298.361 3.620 30 20 CHED C=CCOCCCC(=O)N1CC(C)(C)[C@H]1c1ccccc1 608117439 GJHHHDBXPHJJQQ-QGZVFWFLSA-N 287.403 3.579 30 20 CHED C[C@H](NC(=O)Nc1cccc(F)c1)c1cccc(C#N)c1 610317196 QLRJQVQLITYEQY-NSHDSACASA-N 283.306 3.580 30 20 CHED CC[C@H](C)[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612367017 KONTWGYPUYUMFL-WDYCEAGBSA-N 298.430 3.969 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@H]1/C=C\c1ccccc1 618690011 ZYGCJPBIDGGQSI-SNGWPZLWSA-N 282.387 3.631 30 20 CHED C=CCC1(NC(=O)c2cc(C)sc2C)CCCC1 619105378 DSGDOQRXDWBLKC-UHFFFAOYSA-N 263.406 3.984 30 20 CHED C=CCCCC[C@H](C)NC[C@@H](c1ccnn1C)C(C)C 648540932 TZTBMDPJLOVCFS-JKSUJKDBSA-N 277.456 3.884 30 20 CHED C=CCN(CC=C)C(=O)c1cccc(C(C)(C)C)c1 653548552 IDTUUALPILDZDJ-UHFFFAOYSA-N 257.377 3.798 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1C[C@H](C)O[C@H]1C 658037180 UHSIGWVQSKBECQ-QMHWVQJVSA-N 251.414 3.524 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc3ccn(C)c3c2)C1 666178682 QGKQGRJDQKYBMQ-CQSZACIVSA-N 297.402 3.998 30 20 CHED C=CCC[C@@H](NC(=O)Nc1ccn(CC)n1)c1ccccc1 667706739 HPZARJPKBHOOPN-OAHLLOKOSA-N 298.390 3.732 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 674952020 NUGWNIOMVCNQBC-KGLIPLIRSA-N 296.370 3.526 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC12CCC2 675302797 KLLWQAAMIQWAOL-CQSZACIVSA-N 273.351 3.531 30 20 CHED C=CCOc1ccc(Oc2ncnc3c2CCCC3)cc1 675634494 MBWNVJQTSPBXRG-UHFFFAOYSA-N 282.343 3.713 30 20 CHED C=CCOc1ccc(CN2CCC[C@@H]2C2CC2)cc1OC 678240091 SVOZITPJPDYPAO-MRXNPFEDSA-N 287.403 3.634 30 20 CHED C=CCC[C@@H](NC[C@@H]1OCCc2ccccc21)C1CC1 678585303 ACYJFVWAODOQKV-MSOLQXFVSA-N 271.404 3.635 30 20 CHED CC#CCCNC(=O)c1cnc(-c2ccc(C)cc2C)s1 680456859 QRKGRRMIHMDNFX-UHFFFAOYSA-N 298.411 3.570 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCc2ccccc21 695812307 NJQGNIKEXVUAPC-CZUORRHYSA-N 256.393 3.982 30 20 CHED CS[C@@H]1CCCC[C@H]1N[C@@H](C)CC(C)(C)C#N 695857973 GDSZXRLIPFUNGR-YNEHKIRRSA-N 254.443 3.579 30 20 CHED C#C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)C(C)C 700589233 JQVYHPNIFCTWQZ-CQSZACIVSA-N 295.835 3.596 30 20 CHED C#C[C@H](CC)NC(=O)c1sccc1-c1ccccc1 700610642 UIASTJUJVHEXAH-CYBMUJFWSA-N 269.369 3.557 30 20 CHED COc1cccc(NN=Cc2ccc(C)cc2C)c1 725853902 WMLCYEJXUSWRDA-UHFFFAOYSA-N 254.333 3.758 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2cc(C)ccc2C)c1 728480318 MFQHIEHFXHBYJN-UHFFFAOYSA-N 291.394 3.880 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccc(C)cc1C 731319175 SREWQAWPMBXLKE-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CC(C)c1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)on1 733857060 KSUDNRYIGHXPCU-LLVKDONJSA-N 284.315 3.588 30 20 CHED N#Cc1cccc(C(=O)Oc2cc(Cl)ccc2F)c1 735455101 UOUQMARWTAXEBB-UHFFFAOYSA-N 275.666 3.570 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 741843707 LDQBQNDSMSVZRG-SENGUPFNSA-N 273.376 3.789 30 20 CHED CC(Cc1ccccc1C)=NNC(=S)Nc1ccccc1 743421930 MPVDVZLKYOUMNQ-UHFFFAOYSA-N 297.427 3.900 30 20 CHED C#CCCCNC(=O)N(Cc1cccc(C)c1)CC(C)C 743693127 FAVJRGWKPXVNRN-UHFFFAOYSA-N 286.419 3.576 30 20 CHED CO[C@@]1(C)CC(=NNCc2cnc3ccccc3c2)C1(C)C 746577478 FYNCCPRYOOBELP-SFHVURJKSA-N 297.402 3.515 30 20 CHED C#CC[C@H](OC(=O)Cc1c[nH]c2cc(C)ccc12)C(C)C 747189653 ONIXDTPLPWWBJT-KRWDZBQOSA-N 283.371 3.610 30 20 CHED Cc1ccc([C@@H](C)C(=O)N[C@@H](CCC#N)c2ccccc2)o1 749034151 FYOFSCQLLRFBIK-ZBFHGGJFSA-N 296.370 3.853 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)OCc2cc(C#N)ccc2F)C1 750243049 SDGAXTCEONWPLH-CHWSQXEVSA-N 289.350 3.957 30 20 CHED CC(/C=C\C(=O)c1c(C)nn(C)c1C)=C\c1ccccc1 750912451 FQUCBPFJTQPLTA-JPYSRSMKSA-N 280.371 3.879 30 20 CHED COc1cccc(NN=C[C@H]2CCOc3ccccc32)c1 752163002 LQNCKVMKEBNSOH-CYBMUJFWSA-N 282.343 3.659 30 20 CHED COc1ccccc1/C=C\C(=O)c1coc(C(C)C)n1 752884214 DLCAZWDYMGWPNN-HJWRWDBZSA-N 271.316 3.703 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cc(F)ccc2F)co1 752884246 DVIWMOVYAMBANB-UTCJRWHESA-N 277.270 3.972 30 20 CHED CC1(CC(=O)OCC(=O)c2cccc(C#N)c2)CCCCC1 753538582 JGEXWZKNANVXBD-UHFFFAOYSA-N 299.370 3.645 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCOC[C@@H](C)C1 754576562 DFSBTEUAJYDYAY-CVEARBPZSA-N 298.471 3.661 30 20 CHED CCCCCCCOC(=O)C(F)(F)c1nccs1 755611511 GDSHLHYNTCAXPI-UHFFFAOYSA-N 277.336 3.749 30 20 CHED C(=NNc1cnc2ccccc2n1)[C@H]1CCc2ccccc21 755690045 ZGWDCONYDJVUJD-CQSZACIVSA-N 288.354 3.758 30 20 CHED Clc1cccc(CNN=C[C@H]2C[C@H]3C=C[C@H]2C3)c1 755770004 IUTBSUHNBYTQBG-FPMFFAJLSA-N 260.768 3.628 30 20 CHED CCc1oc2ccccc2c1C=NOCc1nccc(C)n1 755816117 YFBVCTUIWCSVDZ-UHFFFAOYSA-N 295.342 3.644 30 20 CHED C(=NO[C@H]1CCCCO1)c1ccc(-c2ccccc2)o1 755821847 PBCFFPICIYZCQS-INIZCTEOSA-N 271.316 3.824 30 20 CHED COCCC(=NNc1nc2ccccc2s1)C(C)C 756815632 LRAZNRANSQTHQJ-UHFFFAOYSA-N 277.393 3.757 30 20 CHED C/C(C=NN=c1cc[nH]cc1Cl)=C/c1ccccc1 756838739 NIWLXLKZNNAHQG-IUBBXMLTSA-N 271.751 3.658 30 20 CHED C#CC[C@@H](NC(=O)CCC1CCCC1)c1ccccc1 757578521 KXACNPXMTQOSOA-QGZVFWFLSA-N 269.388 3.838 30 20 CHED Cc1ccc(C=NNc2cncc(Br)c2)cc1 758116683 AZRGPWYEIHOXEC-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=CCCC(=NNc1cncc(Br)c1)C1CC1 758122497 LVQUBJZCTCATHZ-UHFFFAOYSA-N 294.196 3.988 30 20 CHED C[C@H]1C[C@H]1C=NNc1ccnc2cc(Cl)ccc12 758358750 KHQNBQBBYIYDJH-UWVGGRQHSA-N 259.740 3.942 30 20 CHED CC(C)c1ncc(/C=C\C(=O)c2cccc(O)c2)s1 758425563 AAMIHJZXHDHTSO-SREVYHEPSA-N 273.357 3.868 30 20 CHED C=C[C@@H](CC(=O)Nc1n[nH]c(C2CC2)c1C)c1ccccc1 758988626 PEGUDZWRBWNEKY-ZDUSSCGKSA-N 295.386 3.894 30 20 CHED C#CC(C)(C)NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 759866964 QIPPRFDNYBAZHT-UHFFFAOYSA-N 299.414 3.512 30 20 CHED CC#CCCOC(=O)COc1ccccc1-c1ccccc1 760288749 BLZBMBOKOZKKGT-UHFFFAOYSA-N 294.350 3.689 30 20 CHED N#CCC1(COC(=O)c2ccc3sccc3c2)CC1 761230867 IOJXPQMIERPGDW-UHFFFAOYSA-N 271.341 3.752 30 20 CHED O=C(O)c1ccc(NN=CCCC2CCCCC2)nc1 761827707 HVCRHUIJLFTJDP-UHFFFAOYSA-N 275.352 3.538 30 20 CHED CCCCCCCCN1CCN(CC(F)(F)F)[C@H](C)C1 762927971 NLHIYEKECTVZHC-CQSZACIVSA-N 294.405 3.915 30 20 CHED CCOc1cccc(C=NNc2nccc3sccc23)n1 763169353 QUYSIZWRQNDTNK-UHFFFAOYSA-N 298.371 3.536 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2cccc(Cl)c2)c1 763170567 AXNWRGPATQQITG-AATRIKPKSA-N 290.702 3.616 30 20 CHED C[C@@H](OC(=O)C1Cc2ccccc2C1)c1cccc(C#N)c1 763965749 YJZNAYMKGGIRQA-CYBMUJFWSA-N 291.350 3.577 30 20 CHED CCCCCCCOc1cccc(-n2cncn2)c1 764565126 YXBDDSKADYMOPK-UHFFFAOYSA-N 259.353 3.617 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N=C2C[C@@H](C)ON2)cc1 765371354 DKAMQZMEBWJLKS-QWHCGFSZSA-N 288.391 3.542 30 20 CHED CCCCCCCC(=O)NCc1ccc(OC)cc1C 766164274 OTUOWMVRAWAIDB-UHFFFAOYSA-N 277.408 3.980 30 20 CHED CCc1nc(C)c(C(=O)OCCCCC(C)(C)C#N)s1 768648278 DYWPUIOEMNVZOD-UHFFFAOYSA-N 294.420 3.891 30 20 CHED COc1cc(C)ccc1[C@@H](C)NCc1cc(C#N)ccc1F 773030007 IYFVXTKYEKFRHX-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ccc(N(C)C)cc1 776015451 HVLZCDLBXRJKSG-HNNXBMFYSA-N 288.435 3.546 30 20 CHED CCCC(CC)=NNc1cc(C#N)cc(Cl)n1 776187799 ZDTSMYITYABKRJ-UHFFFAOYSA-N 250.733 3.585 30 20 CHED Cc1c(C(=O)O)oc2c1C(=NOC1CCCCC1)CCC2 777457392 SMRYSNVTAAAVBV-UHFFFAOYSA-N 291.347 3.676 30 20 CHED CC(C)CC(=NNc1cc(Cl)ccn1)c1ccccn1 777905462 IJRXEYKXWHWQHO-UHFFFAOYSA-N 288.782 3.992 30 20 CHED Clc1ccnc(NN=CC2=Cc3ccccc3OC2)c1 777906113 DZARVAPZSJQQFL-UHFFFAOYSA-N 285.734 3.609 30 20 CHED COC(=O)c1cccc(NN=C[C@H]2CCC[C@@H](C)C2)c1 779826173 GUZXALSSVVYSSV-OLZOCXBDSA-N 274.364 3.697 30 20 CHED COC(=O)c1cccc(NN=Cc2coc3ccccc23)c1 779827667 MPTDZXUFZKYMRN-UHFFFAOYSA-N 294.310 3.665 30 20 CHED CC1(C)CC(=NNc2ncncc2Cl)c2ccoc2C1 780275565 AFRJJHUIYIIBNU-UHFFFAOYSA-N 290.754 3.512 30 20 CHED CCCCCC[C@@H](C)C(=O)N1CCC(CC#N)CC1 782054479 HUKJPXNKIPSYBG-CQSZACIVSA-N 264.413 3.745 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1csc([C@H](C)OCC)n1 785754224 OAOBYNBNNLWPDJ-XHDPSFHLSA-N 297.420 3.886 30 20 CHED CC[C@@H](OC1CCCC1)C(=O)OCCCC(C)(C)C#N 785936517 SAKREAKESRZVNN-CQSZACIVSA-N 281.396 3.597 30 20 CHED CCCCCC[C@](C)(CCC)C(=O)NCCC#N 787627823 PEURCXRBOVKWMX-HNNXBMFYSA-N 252.402 3.793 30 20 CHED c1ccc([C@@H]2CCCCC2=NOC[C@H]2CCOC2)cc1 788036154 FBUKTHDLGYKQKL-HOCLYGCPSA-N 273.376 3.753 30 20 CHED COc1ncc(C(=O)/C=C/c2ccc(F)cc2)cc1Cl 789156298 MZXJZBFVZDRFCX-QPJJXVBHSA-N 291.709 3.779 30 20 CHED COc1ncc(C(=O)/C=C\c2cccc(C)c2)cc1Cl 789158473 WVJVXWSDBRGUJW-SREVYHEPSA-N 287.746 3.948 30 20 CHED CCC(COC)=NNc1cc(Cl)cc(Cl)c1 790201851 MDUDWSKIDQLRIV-UHFFFAOYSA-N 261.152 3.818 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(F)nc1 791837546 WEEIHLUJAPLUJZ-UHFFFAOYSA-N 299.349 3.831 30 20 CHED CC(=NN[C@@H](C)C(C)(C)C)c1coc(C(C)C)n1 793112116 POCZXQGKXFNIPF-NSHDSACASA-N 251.374 3.546 30 20 CHED CC[C@H](C)CON=C1CCC(NC(=O)OC(C)(C)C)CC1 793147051 YAGMYMDPRNBMAH-UEWDXFNNSA-N 298.427 3.872 30 20 CHED C=CCCCCC[C@H](C)Nc1ccc2c(c1)NC(=O)CO2 793543532 AIBAGVRMOWIJSM-ZDUSSCGKSA-N 288.391 3.954 30 20 CHED Cc1cccnc1NN=CCc1cccc(Cl)c1 794939708 MGUSMORPLPDQQT-UHFFFAOYSA-N 259.740 3.684 30 20 CHED Fc1cccc(NN=Cc2cc3ccccc3s2)n1 795006455 JAYQKSKRPVYFTO-UHFFFAOYSA-N 271.320 3.881 30 20 CHED C[C@H]1CC[C@@H](OC(=O)c2ccc(C(C)(C)C#N)cc2)C1 796823345 XKFHAYCKXYGHJF-SWLSCSKDSA-N 271.360 3.833 30 20 CHED COc1ccccc1CON=Cc1ccc([C@H]2C[C@H]2C)o1 799117957 QFLXVOLSKMKRLE-DOMZBBRYSA-N 285.343 3.962 30 20 CHED Cc1cc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)oc1C 799898396 YMQNJGMYFGDFOR-CMDGGOBGSA-N 292.338 3.978 30 20 CHED Cc1c(NN=C[C@H](C)C(C)(C)C)cccc1[N+](=O)[O-] 800811703 FSSRTXCJOJMDLK-JTQLQIEISA-N 263.341 3.983 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C[C@H](C)c1ccccc1 804834976 SCWBSJVDXWOLGT-KRWDZBQOSA-N 291.394 3.842 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3coc(C(C)C)n3)cn2c1 806557612 GAVMSSFGSXLAPI-AATRIKPKSA-N 295.342 3.650 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1ccc(F)nc1)C2=O 806558244 WTDWBPHSIBWBLN-QPEQYQDCSA-N 271.316 3.859 30 20 CHED CC(C)n1cc(C=NNc2ccc(Cl)c(Cl)c2)nn1 807962086 QNLWHYBHMRGTRV-UHFFFAOYSA-N 298.177 3.612 30 20 CHED CC(C)=CCON=Cc1cccc(OCc2ccncc2)c1 808250679 SESYGUYMTBRZNW-UHFFFAOYSA-N 296.370 3.977 30 20 CHED N#Cc1ccc(COC(=O)C2(C(F)F)CCCC2)c(F)c1 808647550 GYXMMYUIFJURHY-UHFFFAOYSA-N 297.276 3.566 30 20 CHED CCC(CC)c1noc(-c2ccc(C)c(C#N)c2)n1 809399041 CDEHRTIKEKLOPN-UHFFFAOYSA-N 255.321 3.820 30 20 CHED C#Cc1ccc(CN[C@H]2COc3ccc(Cl)cc32)cc1 809626408 FMAWENCWHNRAJW-INIZCTEOSA-N 283.758 3.545 30 20 CHED Oc1cc(C=NOCc2ccccc2)cc(C(F)(F)F)c1 811636476 FULVBKHVHOFRHB-UHFFFAOYSA-N 295.260 3.962 30 20 CHED Clc1ccc(NN=C[C@@H]2CCCOC2)c(Cl)c1 814752016 XBKRLPMFBFQUHC-VIFPVBQESA-N 273.163 3.818 30 20 CHED Fc1ccc(F)c(CNN=Cc2cccc3cc[nH]c23)c1 814809195 QRTLHWGWDVCPOR-UHFFFAOYSA-N 285.297 3.570 30 20 CHED CCCC(=NNCCCc1ccccc1)c1ccccn1 814837873 OWRNMVPRUYPDKC-UHFFFAOYSA-N 281.403 3.808 30 20 CHED Cc1sccc1C=NNc1cccc(C(F)(F)F)n1 814853622 RGDJUGPAAVKKBT-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CCCC(=NNc1nccnc1C(C)C)c1ccccn1 814917413 VORNIRZVJYRHTF-UHFFFAOYSA-N 283.379 3.611 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 823956696 UNKHTCZDDBVXNA-HNNXBMFYSA-N 271.404 3.518 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(OC(F)F)c(OC)c1 825725414 JVBYEZVNUNQKGK-JTQLQIEISA-N 299.317 3.837 30 20 CHED C=CCCCCCCCNC(=O)NCc1ccc(C)cn1 826815973 BPUQCHPOIRVVAV-UHFFFAOYSA-N 289.423 3.716 30 20 CHED C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C#Cc1cccs1 826942350 IKSYHNGASCJMSP-WMLDXEAASA-N 295.407 3.504 30 20 CHED CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C#CC(C)C)o1 829252108 ABWFOVHIGPHUIS-GDBMZVCRSA-N 287.403 3.801 30 20 CHED CCCONC(=O)Nc1ccccc1S[C@H](C)CC#N 831452953 ZJQGWZJZHBMSRQ-LLVKDONJSA-N 293.392 3.544 30 20 CHED CC(C)Oc1ccccc1C=NNc1cccc(C(=O)O)c1 833507468 OFRUPJGKWANSRQ-UHFFFAOYSA-N 298.342 3.618 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ncccc2CC)cc1 834893386 VMLCLCBSSPIJFZ-HNNXBMFYSA-N 294.398 3.507 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc3c(c2)COC3)c1 834902329 GWHMBFQKPRLPKP-CQSZACIVSA-N 277.367 3.549 30 20 CHED CC(=NNc1cc(C)nc(C)n1)[C@@H]1CCCC[C@H]1C 834940439 MBLRRUHXYAEDLQ-QMTHXVAHSA-N 260.385 3.708 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1ccc(OC(F)F)cc1 834996875 XAGIBCSFGYWXOV-QMMMGPOBSA-N 296.239 3.552 30 20 CHED CC(C)(CCCc1ccccc1)CNC(=O)C#CC1CC1 837420146 PLHPMGPZWSNHJX-UHFFFAOYSA-N 283.415 3.565 30 20 CHED C#CCCCCC(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C 837870341 XODBLHLSAJLGQX-WMZOPIPTSA-N 283.415 3.736 30 20 CHED N#CC1(CCN[C@@H](CCO)c2cccs2)CCCCC1 839553705 ZOXMIYWIHOVCLQ-AWEZNQCLSA-N 292.448 3.625 30 20 CHED C#CCCCCCC(=O)N[C@@H](CC=C)Cc1ccccc1 839891413 ORWACVHCFGENHQ-SFHVURJKSA-N 283.415 3.874 30 20 CHED C=C(C)[C@@H](CC(=O)OCCC1(C#N)CCCCC1)OCC 840370439 WZUBVIPAOSTRTC-OAHLLOKOSA-N 293.407 3.765 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@](O)(CC)c1ccccc1 840412090 KTYKQQGTNAINNU-CRAIPNDOSA-N 289.419 3.535 30 20 CHED Cc1ccccc1C(=O)/C=C/c1cnc(C(C)(C)C)nc1 840713046 JHYIGRRNOZUZHK-MDZDMXLPSA-N 280.371 3.979 30 20 CHED CC(C)(C)c1ncc(/C=C2/Cc3c(F)cccc3C2=O)cn1 840719091 QYYJLCGSTQKEDD-GHXNOFRVSA-N 296.345 3.736 30 20 CHED N#CCOc1cc(F)ccc1NC1CCC(F)(F)CC1 843406322 YDPIBIVFNLDPJN-UHFFFAOYSA-N 284.281 3.718 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1C 844782059 NWUMEKLHTLCLJK-DLBZAZTESA-N 269.388 3.551 30 20 CHED Cc1cc(C#N)ccc1NCc1cc(COC(C)(C)C)on1 846751832 NQWMGKIOENHNGR-UHFFFAOYSA-N 299.374 3.782 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC(=O)c2ccccc21 851203797 FOLZHIJAURGSEU-WFASDCNBSA-N 299.370 3.618 30 20 CHED ClC1(Cl)C[C@H]1C=NNc1nc2ccccc2s1 853256672 XAAYVUAZFKSJRQ-ZETCQYMHSA-N 286.187 3.888 30 20 CHED CC1(C)C(=NNc2ncccc2Cl)[C@H]2CCC[C@H]21 853294407 OXBHVOXXLZZSGR-VHSXEESVSA-N 263.772 3.959 30 20 CHED Cc1ccc(NN=C2CCC(=C3CCC3)CC2)nn1 853304281 HMVUHXFIVQWFTO-UHFFFAOYSA-N 256.353 3.607 30 20 CHED Clc1cncnc1NN=C1CCC(=C2CCC2)CC1 853336433 ZFGCFTKPJNZWQY-UHFFFAOYSA-N 276.771 3.952 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C)cc2)C1 854166363 TXLMRKQSVPNAND-CQSZACIVSA-N 287.407 3.573 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N(C1CC1)[C@@H](C)C#N 855582305 DRBAQGUGQINEEI-ZKQHCESOSA-N 288.778 3.646 30 20 CHED CCCCCCCNC(=O)N1CCC(OC(C)(C)C)CC1 858110782 IMNWOWFQZAQQQN-UHFFFAOYSA-N 298.471 3.946 30 20 CHED C[C@@H](NN=C1CCCc2scnc21)c1ccccc1 863082011 AJNGXFHNJUGZMC-LLVKDONJSA-N 271.389 3.534 30 20 CHED COc1cc(O[C@H](C)c2ccccc2)ccc1C#N 864046997 MBNDFWRSBNDUEW-GFCCVEGCSA-N 253.301 3.707 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cccc2ncccc12 876382331 BUMGXZCIDUAVMY-UHFFFAOYSA-N 297.402 3.779 30 20 CHED C=CCN(CC[C@](C#N)(C(C)=O)c1ccccc1)C(C)(C)C 878950799 ZIGVRUPKNVTMJK-IBGZPJMESA-N 298.430 3.714 30 20 CHED C=CCC[C@H](NC(=O)N1CC[C@@H](CF)C1)c1ccccc1 883524721 HHJXAWSBDHCHEG-HOCLYGCPSA-N 290.382 3.695 30 20 CHED CCCCCC(=O)N1CCC(c2ccc(C#N)cc2)CC1 887706179 PMFLAFNAEFCRPN-UHFFFAOYSA-N 284.403 3.845 30 20 CHED C=CCCCCCCNC(=O)Cc1sc(C)nc1C 890919211 GELZWEWXSQCOPG-UHFFFAOYSA-N 280.437 3.555 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1nsc2ccccc12)OCC 892433676 IOJZSHRKEQAEIN-GFCCVEGCSA-N 290.388 3.606 30 20 CHED C=C1CCC(c2nc(-c3ccc4nc(O)[nH]c4c3)no2)CC1 896098110 ZTQMCDWBWGEFSZ-UHFFFAOYSA-N 296.330 3.532 30 20 CHED CC[C@H](N[C@H](C)c1cnn(CC)c1)c1cccc(C#N)c1 903011410 DZSSNXVROXFRBT-DYVFJYSZSA-N 282.391 3.577 30 20 CHED Cc1cc(C)c2c(c1)N(C(=O)c1ccsc1C#N)CCC2 903086145 KQJSINFXESEZQV-UHFFFAOYSA-N 296.395 3.830 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1cc(Cl)ccc1O 903101556 IXEHNEHHDFGBPI-LBPRGKRZSA-N 266.772 3.636 30 20 CHED COC1(C(=O)Nc2cccc(C#N)c2C)CCCCCC1 904001225 OHGVEVGUPMLHSA-UHFFFAOYSA-N 286.375 3.545 30 20 CHED C=C[C@@H](CC)Cc1nc([C@@H]2CCCCS2)no1 904028510 GBPZUERHWLNDQC-QWRGUYRKSA-N 252.383 3.783 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cccc2c1OCO2 915986774 CABFPQMHURJTKI-CLFYSBASSA-N 296.322 3.628 30 20 CHED Fc1ccccc1C=NNc1ccc2ccccc2n1 916286580 KUDKMCMDPAWLGS-UHFFFAOYSA-N 265.291 3.820 30 20 CHED CCOc1ccc(/C=N\CCOc2ccccc2C)c(O)c1 917558183 MQBFJUZABVUPKD-UYRXBGFRSA-N 299.370 3.597 30 20 CHED C=CCN(Cc1cccs1)C(=O)/C=C(\C)C1CC1 917619649 MGQLEXHOIIJWLU-ZRDIBKRKSA-N 261.390 3.619 30 20 CHED CCOc1ccc(/C=N/[C@@H](C)Cc2ccsc2)c(O)c1 918713148 VURFTODCPHJNFN-VAKHEIKFSA-N 289.400 3.903 30 20 CHED CCCC1CCC(/N=C\c2ccc(O)c(O)c2O)CC1 920174976 RVVASHANONHIHY-YVLHZVERSA-N 277.364 3.581 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cc(C)ccc1O 920376500 JQMLHYDYZAWUEF-UHFFFAOYSA-N 276.286 3.815 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccc(F)cc2)c1 920943003 KKOMUZPGKYUWTG-WQRHYEAKSA-N 273.307 3.549 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@H](C)CC(C)(C)C#N)CC2 925373156 CJGNVAAPZPIZEW-CZUORRHYSA-N 256.393 3.900 30 20 CHED C=C(C)COCCN[C@@H](c1ccc(C)cc1)c1cccnc1 925532873 VPFUTMNEXXRMRB-IBGZPJMESA-N 296.414 3.662 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2ccccc2F)C1 926349169 YUMNNPIYBFLJQQ-MGPQQGTHSA-N 274.383 3.990 30 20 CHED CC(C)CO[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 929835729 SAURVLXEFXDBDR-MRXNPFEDSA-N 278.440 3.597 30 20 CHED C#CCN(C(=O)Nc1ccc(OC)c2ccccc12)C(C)C 932026060 PWOQDNLXCHBOBN-UHFFFAOYSA-N 296.370 3.724 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1c(F)cccc1Cl 1116910770 IVYCSOLIIFXQTH-NSHDSACASA-N 298.789 3.676 30 20 CHED O=C(CC#Cc1ccccc1)N1CCC2(CCCC2)CC1 1117946033 FRPPEGGWMCGCHA-UHFFFAOYSA-N 281.399 3.611 30 20 CHED C=CC(C)(C)CC(=O)OC[C@H]1CCO[C@H]1c1ccccc1 1122738641 VDDWAKVKDPJVMD-WBVHZDCISA-N 288.387 3.910 30 20 CHED CC1(C)CCC[C@@H](NC(=O)[C@H](C#N)CCc2ccccc2)C1 1154470916 MPWJFBVDVWOFRE-DLBZAZTESA-N 298.430 3.844 30 20 CHED COCc1ccc(Sc2cc(C)ncc2C#N)cc1 1185575362 XTKDHPWMJXZOHQ-UHFFFAOYSA-N 270.357 3.559 30 20 CHED N#Cc1c(F)cccc1Sc1nccc(C(F)(F)F)n1 1186844014 HGKUVWWMENMPQD-UHFFFAOYSA-N 299.252 3.657 30 20 CHED CCCCC[C@H](CC)C(=O)[C@H](C#N)c1nccn1CC 1263616687 DQLQFBXEVFLDJA-KBPBESRZSA-N 275.396 3.686 30 20 CHED CN(c1ncc(C#N)cc1F)C1CCCCCCC1 1306955308 JSNXZOMZMZAQTC-UHFFFAOYSA-N 261.344 3.641 30 20 CHED C[C@@H]1CN(CCC2(C#N)CCCCC2)CC2(CCCC2)O1 1307899883 NPFQNSSEXXWBIR-MRXNPFEDSA-N 290.451 3.884 30 20 CHED C=CCCCS(=O)(=O)Nc1c(C)cc(Cl)cc1C 1324099958 GLXSEVRPWIYQKA-UHFFFAOYSA-N 287.812 3.665 30 20 CHED Cc1c(C#N)cccc1C(=O)NC(C)(C)c1ccccc1F 1324582119 ILPPUZNZKWBNFO-UHFFFAOYSA-N 296.345 3.671 30 20 CHED C=CCCCc1nnc([C@@H](C)Oc2ccccc2F)o1 1326961874 IBEBPOCYJGDMBP-LLVKDONJSA-N 276.311 3.857 30 20 CHED C=CCCO[C@H](C)c1nnc(-c2ccccc2C)o1 1328306617 NEMVDSXJAHTMPN-GFCCVEGCSA-N 258.321 3.699 30 20 CHED C=CCCCCCN(C)C(=O)C1(C(C)(F)F)CC1 1328882218 PFKQWXRXIUUFED-UHFFFAOYSA-N 259.340 3.627 30 20 CHED CC[C@@](C)(C#N)c1nnc(C(C)(C)c2ccccc2)o1 1329326944 YWRNTDWVIMDVLR-INIZCTEOSA-N 269.348 3.587 30 20 CHED N#Cc1ccc(Cl)c(C(=O)OCCC2CCC2)c1 1333229655 ROESSKYMSNSDPI-UHFFFAOYSA-N 263.724 3.559 30 20 CHED C[C@@H](CCC#N)CNCCc1c(F)cccc1Cl 1333350555 BZQSPXGDRBXZMJ-NSHDSACASA-N 268.763 3.551 30 20 CHED C[C@@H]1CSCCN(CCCCC2(C#N)CCC2)C1 1334194406 PRPPPWRCFNPQEQ-AWEZNQCLSA-N 266.454 3.535 30 20 CHED CCc1c(C)sc(NC(=O)C2(C(C)(F)F)CC2)c1C#N 1334818662 COGQCAIYNZSMEG-UHFFFAOYSA-N 298.358 3.865 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1NC1CCC1 1336537413 REGQSCFIVXLRMN-UHFFFAOYSA-N 258.365 3.946 30 20 CHED Fc1ccc(NN=Cc2ccc(N3CCCC3)cc2)cc1 1337376088 DOZUFZVLVTVJBE-UHFFFAOYSA-N 283.350 3.872 30 20 CHED C=C(C)CCC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 1338890748 YIRPLVYPJTYXOL-NSHDSACASA-N 299.823 3.658 30 20 CHED C=C(CC)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 1348451589 LBCRHKIXVVJNTO-UHFFFAOYSA-N 283.331 3.519 30 20 CHED N#Cc1ccccc1N(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)C1CCC1 1353519087 WBOKPFOVNONCBD-JKIFEVAISA-N 294.398 3.880 30 20 CHED C=C(C)CCC(=O)N1CCCCC[C@H]1c1cccn1C 1357462421 GHNVSLMWZRJAHM-INIZCTEOSA-N 274.408 3.825 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC[C@@H]1CCCC[C@H]1C 1360500722 QDAHORRWBZNRHV-HIFRSBDPSA-N 284.403 3.813 30 20 CHED C[C@H](CNC(=O)[C@H](CC#N)c1ccccc1)c1ccccc1 1458777918 NKWJKDOUYMRUGI-CRAIPNDOSA-N 292.382 3.604 30 20 CHED CCc1nc(C#N)cc(N2CCC(CCC(C)C)CC2)n1 1472724656 LEWVXUZDYIYCOM-UHFFFAOYSA-N 286.423 3.563 30 20 CHED N#Cc1ccc(OCC(=O)c2ccsc2)c(Cl)c1 1559347622 GDLVTOLQYVHROL-UHFFFAOYSA-N 277.732 3.535 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC[C@@H](C)c2ccccc2)n1 1595472183 MERSAPPEPQFHGU-CYBMUJFWSA-N 293.370 3.784 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 1595801330 SPPWWOIRZNGXIS-CXAGYDPISA-N 296.345 3.581 30 20 CHED Cc1ccc(CSCc2cccc(C(=O)O)c2C#N)o1 1600422657 SCIVFGQVDKIFQK-UHFFFAOYSA-N 287.340 3.591 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1CNc1cc(C#N)cnn1 1611905894 RNDZAJZJJXQGSN-KGLIPLIRSA-N 272.396 3.613 30 20 CHED C[C@H](CN1CC(Oc2ccc(C#N)cc2)C1)C1CCCCC1 1621380937 KCZIDWWIZKARQO-OAHLLOKOSA-N 298.430 3.838 30 20 CHED CCCCN1CCCC[C@@H]1CNCc1ccc(C#N)c(C)c1 1649175730 PMDIWTJUORXSMD-LJQANCHMSA-N 299.462 3.611 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C)CC1CCC1 1652158966 PYJSXXPUQKMGDC-GFCCVEGCSA-N 258.365 3.948 30 20 CHED C[C@H](Cc1cccs1)N(C)Cc1cccc(F)c1C#N 1658980236 ZISVWEXJANLRCX-GFCCVEGCSA-N 288.391 3.822 30 20 CHED C=C(Cl)CNC(=O)NC[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1676376663 HEPLOGQDARNRBO-FPMFFAJLSA-N 286.847 3.747 30 20 CHED O=C(O)c1cccc(NN=C2CC[C@H]2Cc2ccccc2)c1 1776038709 ZQZKBWDYOHITCR-AWEZNQCLSA-N 294.354 3.805 30 20 CHED CC[C@H](NN=C(CC(C)C)c1ccc(Cl)cc1)C(=O)O 1776065829 KUPJLGQVXXJMHD-ZDUSSCGKSA-N 296.798 3.543 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1ccc(F)cc1Cl 1776106747 SHQUPAPNXVUQMT-UHFFFAOYSA-N 298.745 3.912 30 20 CHED O=C(/C=C\c1cccc(C(=O)O)c1F)c1ccccc1F 1776131644 XMWHFERADIZZMJ-HJWRWDBZSA-N 288.249 3.559 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC2CCC(C)(C)CC2)C1 1776153953 ZRMYCKYUTOZZJQ-GOSISDBHSA-N 293.451 3.946 30 20 CHED C=CCCC1(C(=O)O)CCN(C/C=C/c2ccccc2)CC1 1776173210 PUMFIBKLNFDJPS-JXMROGBWSA-N 299.414 3.833 30 20 CHED C=CCCCCN1CCC([C@H]2CCC[C@@H]2C(=O)O)CC1 1776207721 HQRAQTVKJUMRKM-CVEARBPZSA-N 279.424 3.556 30 20 CHED CCc1c(C)nc(-c2ccccc2Cl)nc1C#N 1898208385 SNAMPXLPCSRFBP-UHFFFAOYSA-N 257.724 3.540 30 20 CHED C[Si](C)(C)C#Cc1ccc(Br)c(Cl)n1 2332240210 OIOXEDLTFKKILC-UHFFFAOYSA-N 288.648 3.726 30 20 CHED O=C1/C(=C\c2ccc(Cl)cc2)Cc2c(O)cccc21 11335862 HQPGYYFEXMQWST-FLIBITNWSA-N 270.715 3.868 30 20 CHED C[C@H](N[C@H]1CCc2ccccc21)c1ccc(C#N)cc1 20129739 ZOCIJOHTHNQSJU-UGSOOPFHSA-N 262.356 3.896 30 20 CHED C=CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1 37299571 NBIJMODWYCKOKY-UHFFFAOYSA-N 284.315 3.772 30 20 CHED N#Cc1cccc(NCc2ccc(Cl)c(F)c2)c1 43388334 FTJSETIOWIEMSC-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 44809320 FBELPVUSWKUDLV-LBPRGKRZSA-N 266.300 3.577 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)NCc1ccc(C#N)cc1 46043725 QRGIOHQELAMQTH-LBPRGKRZSA-N 299.399 3.522 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccccc1 48578835 MFIBPLLGADVERN-VOTSOKGWSA-N 259.286 3.552 30 20 CHED COc1ccccc1CN(C)c1cccc(Cl)c1C#N 48935880 IXCVRNLHNWPREG-UHFFFAOYSA-N 286.762 3.857 30 20 CHED N#Cc1ccc(Oc2nc(Cl)nc3ccccc23)cc1 52811369 SDUARBGFBWVSRQ-UHFFFAOYSA-N 281.702 3.947 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@H]2C2CCCCC2)c1 55600761 ANPSQVXHNMRJRE-SFHVURJKSA-N 296.414 3.938 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)c1 56000811 NNMAHVAGUBFYOH-GOSISDBHSA-N 290.366 3.844 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1 56475709 UFUAMYSMASVSDI-UHFFFAOYSA-N 280.327 3.518 30 20 CHED N#CC1(C(=O)NC[C@@H]2CCCc3ccccc32)CCCCC1 57386236 YATDSFAJUNJMHT-INIZCTEOSA-N 296.414 3.697 30 20 CHED C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(C#N)CC1 57872118 NCTOOJPOMCICEM-LLVKDONJSA-N 298.308 3.882 30 20 CHED C=CCCC(=O)Nc1cccc(OCC(F)(F)F)c1C 68054760 YEIRWGKASBQQSJ-UHFFFAOYSA-N 287.281 3.841 30 20 CHED CCCCCC(=O)Nc1cc(C#N)cn1C(C)(C)C 77380321 DRXKZQZLBHEYCZ-UHFFFAOYSA-N 261.369 3.634 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1cc(F)ccc1F 78450630 XLGVVUSYRJGUSI-UHFFFAOYSA-N 295.333 3.758 30 20 CHED N#Cc1ccc(Cl)cc1NCC[C@H](O)c1ccccc1 78519088 TWMYYHZQLZZSRQ-INIZCTEOSA-N 286.762 3.747 30 20 CHED C=CCOCCCC(=O)Nc1cccc(C(C)C)c1 79297722 JIWKJZKXLZWLQF-UHFFFAOYSA-N 261.365 3.731 30 20 CHED Cc1ccc(-c2cnc(CN(CCC#N)CC3CC3)o2)cc1 81514854 LOZBLZJEARYPGV-UHFFFAOYSA-N 295.386 3.776 30 20 CHED C=CCCO[C@H](C)C(=O)NC(C)(C)c1ccc(CC)cc1 81701850 LZJAFEUEOBSQFI-CQSZACIVSA-N 289.419 3.582 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 84697646 AZCKNRFGTOBQPU-OCCSQVGLSA-N 289.375 3.597 30 20 CHED COc1ccc(CN2CCc3sccc3[C@@H]2C)cc1C#N 87833327 VYISMBSCKNRZNB-LBPRGKRZSA-N 298.411 3.748 30 20 CHED C=CCC[C@@H](NC1CCN(C(C)(C)C)CC1)C1CC1 89512946 YEZXYKNGFJEEPQ-MRXNPFEDSA-N 264.457 3.584 30 20 CHED C=CCCOCCN[C@H](C)c1cc(C)sc1C 90883461 QHGNKRBOVGRGNV-GFCCVEGCSA-N 253.411 3.608 30 20 CHED C=CCC[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 90920883 QPGWYRKMYSYCGO-HOTGVXAUSA-N 297.801 3.847 30 20 CHED N#Cc1ccc2nc(NCCCOC3CCCC3)ccc2c1 92892726 LTSYUTOMSDBRRM-UHFFFAOYSA-N 295.386 3.868 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1nc2ccccc2s1 96861704 ZTQFKKCJJJKPPK-HJWRWDBZSA-N 281.336 3.898 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C)o2)c1OC 96930421 RKFUYVPHYBKMSJ-HJWRWDBZSA-N 272.300 3.501 30 20 CHED C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CCCCC#N 105723972 CWLMTTWXMAXGGP-LLVKDONJSA-N 285.796 3.510 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2c(C)n[nH]c2C)c1 107066895 JENOZFBRMSOZHD-AATRIKPKSA-N 254.333 3.539 30 20 CHED C[C@@H](c1ccc(Cl)cc1)[S@](=O)CCCCC#N 108118599 KGNRTAVIORFWSU-GTNSWQLSSA-N 269.797 3.844 30 20 CHED Cc1ccc(CNc2ccc(C#N)cc2F)cc1F 112011761 ODESYUSAGACKMO-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br 122711950 YQIFMMXYLRXAAU-QMMMGPOBSA-N 285.141 3.734 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)N(C)c1ccccc1 124825477 IMFFTSJLIDGEFM-UHFFFAOYSA-N 297.354 3.537 30 20 CHED CCCCCCCOC(=O)CCc1c(C)noc1C 126051254 WDXIAQUBZFSQJF-UHFFFAOYSA-N 267.369 3.738 30 20 CHED C[C@@H](Nc1ccnc(Cl)c1)c1cccc(C#N)c1 129872923 MEYGATZCXPGMGO-SNVBAGLBSA-N 257.724 3.780 30 20 CHED N#Cc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)s1 131438672 MEEPMVSBSKOMSD-HNNXBMFYSA-N 297.427 3.696 30 20 CHED CC[C@H](c1ccc(Br)cc1)N(C)CCC#N 133000255 TYCBQFISDXGDGA-CYBMUJFWSA-N 281.197 3.746 30 20 CHED COc1ccc(CN2CCC[C@H]2c2ccsc2)cc1C#N 134986059 DZVOECOMBWOXBW-INIZCTEOSA-N 298.411 3.965 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)CCSC)c1ccccc1 135236586 KTWTUBFMUVVTEV-ZIAGYGMSSA-N 277.433 3.604 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)c([N+](=O)[O-])c2)s1 136505965 YLOMCEDXVKWVSJ-FNORWQNLSA-N 289.312 3.566 30 20 CHED C=CCCCCCN(C)Cc1cn2ccccc2n1 150874012 JZEWVTBHUUBXGN-UHFFFAOYSA-N 257.381 3.513 30 20 CHED C=C(Cl)C[S@@](=O)[C@@H](C)c1cccc(Cl)c1 150900051 AJSNCZWQHBAYOK-VFZGTOFNSA-N 263.189 3.902 30 20 CHED Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 153202337 JBYLGWQSFOPXFX-KRWDZBQOSA-N 278.355 3.770 30 20 CHED CCCC(CCC)C(=O)Nc1ccc(F)cc1OCC#N 154405737 PPGHQXVTJCBCAA-UHFFFAOYSA-N 292.354 3.883 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)O[C@H](C#N)C(C)(C)C 154412269 SRKHSWDVVOXNFX-OAHLLOKOSA-N 284.359 3.500 30 20 CHED CN(CCc1ccccc1)C(=O)c1ccc(C#N)c(Cl)c1 155096454 GKKCLWXCQCWTMK-UHFFFAOYSA-N 298.773 3.526 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNC[C@H]2C[C@H]3C=C[C@H]2C3)c1 156122186 KKTUKFYBHQRBFY-OWLYRPNTSA-N 296.414 3.669 30 20 CHED CCCCSCCC(=O)Oc1ccc(C#N)cc1F 158237685 ABQSSMCPZPRGSW-UHFFFAOYSA-N 281.352 3.526 30 20 CHED C[C@@H]1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 160174069 YHRVCBJZCZMMDF-SCZZXKLOSA-N 269.270 3.573 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 161041592 IKAJBXYRDMJEEL-GHMZBOCLSA-N 284.186 3.789 30 20 CHED CCCCCCCCc1ccc2c(c1)C(=O)C(=O)N2 165977437 QJBBDYMDMKZBGX-UHFFFAOYSA-N 259.349 3.724 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)c1cccc(CC#N)c1 171505345 DCJOUUYALVDLPG-CQSZACIVSA-N 290.366 3.512 30 20 CHED CCO[C@H](CCN[C@H](C)c1ccc(C#N)cc1)C(C)C 173957432 GPRBPMVMFGMJBK-RHSMWYFYSA-N 274.408 3.660 30 20 CHED C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccccc1 174093923 YLATWJLYFULULT-HUUCEWRRSA-N 280.371 3.676 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccccc1F 174263396 UPLKTYSPDWNOTA-UONOGXRCSA-N 298.361 3.815 30 20 CHED C=CCCCC(=O)NCC(C)(C)c1ccc(F)cc1 175563858 YLSVORBPGGOLLS-UHFFFAOYSA-N 263.356 3.576 30 20 CHED CC(C)C1(CNCc2cccc(OCCCC#N)c2)CC1 175802828 UKOOEYBMRSGGHU-UHFFFAOYSA-N 286.419 3.895 30 20 CHED CC(C)[C@H](OC(=O)c1cc(C#N)cs1)c1ccccn1 176476172 NMMYAIHNNYPPPI-AWEZNQCLSA-N 286.356 3.569 30 20 CHED N#Cc1cccc(OCCN[C@H](c2ccccc2)C2CC2)c1 179103210 HZICXLMTQRHYER-LJQANCHMSA-N 292.382 3.678 30 20 CHED CC(=O)c1ccc(NCc2ccccc2C#N)cc1C 179482335 LKJITHVZPCTXDR-UHFFFAOYSA-N 264.328 3.681 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccc(Oc3ccccc3)o2)C1 179871061 RLRACACYOPLORU-TZMCWYRMSA-N 297.310 3.921 30 20 CHED C=C(C)CN(C)C(=O)c1cc2cc(C)c(C)cc2o1 180423479 IMJAUIIWBHLMMM-UHFFFAOYSA-N 257.333 3.698 30 20 CHED C=C(C)CN(C)C(=O)CCCOc1ccccc1Cl 180474983 FONJSFUZVGUCEP-UHFFFAOYSA-N 281.783 3.534 30 20 CHED C=C(C)CN(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc12 180477881 FKHDATKVBGZNEU-UHFFFAOYSA-N 298.361 3.899 30 20 CHED C=CCSCCN[C@H](c1ccccc1)c1ccccn1 180840029 AUAVMUHDTONVCE-QGZVFWFLSA-N 284.428 3.680 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccccc1C)C(C)C 181104448 BGCJEJGSKUQAEZ-MRXNPFEDSA-N 274.408 3.910 30 20 CHED CC1CCN(CCCCN[C@@H](C)c2ccc(C#N)cc2)CC1 181512453 VULBEBXNZWHZFH-KRWDZBQOSA-N 299.462 3.721 30 20 CHED C=CCN(CCCCC(=O)O)Cc1ccc(Cl)s1 181539771 JBPDFTYWLGDOKA-UHFFFAOYSA-N 287.812 3.644 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2ccccc2OCC2CC2)C1 185837184 GRSSGHBXEKXXSD-NVXWUHKLSA-N 284.403 3.647 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)c(OC)c1 187053015 ZQRAHJNOGIEYSI-LLVKDONJSA-N 280.343 3.701 30 20 CHED CC[C@@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 189685285 WXYZBFDKLOLKFD-HIFRSBDPSA-N 258.365 3.584 30 20 CHED Cc1cc(NC(=O)Nc2cc(C#N)ccc2C)ccc1O 189877443 CIJAPJRNPMUADH-UHFFFAOYSA-N 281.315 3.525 30 20 CHED COc1cc(C(C)=O)ccc1O[C@@H](C)c1cccc(C#N)c1 190089321 VMRBURIMOWWZGN-ZDUSSCGKSA-N 295.338 3.909 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc(F)c(F)c1 190980053 KWWQXBVQAUPFNI-AWEZNQCLSA-N 253.292 3.530 30 20 CHED C=CCC1(C(=O)Nc2cccc(COCC)c2)CCC1 191027704 QHXOZJNZZDBOGF-UHFFFAOYSA-N 273.376 3.908 30 20 CHED COC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 194255007 MPYOABQGSQPGLO-APHBMKBZSA-N 292.810 3.699 30 20 CHED O=C(/C=C\c1cccc2c1OCCCO2)c1cccs1 209192573 OIBGLTCAZLTMNJ-FPLPWBNLSA-N 286.352 3.806 30 20 CHED CC(C)[C@H](CNCc1ccc(C#N)cc1)N1CCCCCC1 236677944 GYPZUMGEZFEZSB-IBGZPJMESA-N 299.462 3.548 30 20 CHED CC(=NO)c1ccc(OCc2cccc(C)c2)cc1 242701918 WSCAIHOZSKTGJO-UHFFFAOYSA-N 255.317 3.772 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H]1c1ccccc1Cl 246043740 SKFOAXOYNWYLSE-CJNGLKHVSA-N 279.811 3.804 30 20 CHED C[C@H]1CC(NCc2ccc(O[C@H](C)C#N)cc2)C[C@H](C)C1 246198367 NHABIDOMMALLGC-RBSFLKMASA-N 286.419 3.892 30 20 CHED CC(=NNC(=S)Nc1ccc(C)cc1)c1ccccc1 254508834 XWTUGDXMCIPNKR-UHFFFAOYSA-N 283.400 3.706 30 20 CHED CCN(C)c1ccc(C(=O)/C=C\c2cccnc2C)cc1 255137044 RBUYIIORTZFOFN-XFXZXTDPSA-N 280.371 3.742 30 20 CHED CCCN(C(=O)NCCCCC#N)[C@@H]1CCc2ccccc21 264089478 FKQYYKJMIFNIHM-QGZVFWFLSA-N 299.418 3.789 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 266506932 LMYOBFGJAJBKBJ-RISCZKNCSA-N 278.783 3.761 30 20 CHED CC(C)[C@@H](C(=O)N(C)C[C@H](C)C#N)c1cccc(Cl)c1 267181023 HMIFRIIBQLTJIV-IUODEOHRSA-N 292.810 3.698 30 20 CHED CCN(Cc1nccs1)[C@@H](C)c1ccc(C#N)cc1 269698546 XZDKLXHCPVUMNI-LBPRGKRZSA-N 271.389 3.598 30 20 CHED CN(C(=O)c1ccc2c(c1)CCCC2)c1ccccc1C#N 269798696 CJJXFZMWQRZIOK-UHFFFAOYSA-N 290.366 3.714 30 20 CHED CC(C)c1cnc(NC(=O)c2ccc(CC#N)cc2)s1 270306870 DHBVYSFLBLIRCU-UHFFFAOYSA-N 285.372 3.585 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc(F)ccc1O 273350649 BPZNSKKUABGUGE-GFCCVEGCSA-N 296.345 3.743 30 20 CHED C=CCC[C@@H](C)NC1CCC(Oc2ccc(C#N)cn2)CC1 273542121 YMSDPZZELUMISC-ODIFPOPNSA-N 299.418 3.588 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3ccccc3F)C2)CCC1 277240014 KKDSXSHSOFIBFV-AWEZNQCLSA-N 287.378 3.888 30 20 CHED CCCC(C)(C)NC(=O)c1cc(-c2cccc(C#N)c2)no1 279268097 RJOFOYKSDJHBRU-UHFFFAOYSA-N 297.358 3.522 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)c1ccccc1SC 282155869 MTLHCEPPPGOSKL-SNVBAGLBSA-N 284.812 3.521 30 20 CHED CCCCCCCCn1ccnc1[C@H](O)c1cccnc1 289321964 CJLFKAHWZQKVEV-MRXNPFEDSA-N 287.407 3.720 30 20 CHED CCCC(=O)CSc1ccc(C#N)cc1Cl 289395433 RQCBDLZFEZDFDV-UHFFFAOYSA-N 253.754 3.673 30 20 CHED CC(C)(C#N)CCCOc1ccc2c(c1)CCCO2 289695757 IJULONIYAMKNDD-UHFFFAOYSA-N 259.349 3.720 30 20 CHED CC(C)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)nc1 291087467 QBPNTAQFYXBQET-UHFFFAOYSA-N 287.407 3.607 30 20 CHED Cc1cc(Cl)c(NC(=O)N(C)C[C@H](C)C#N)cc1C 297447776 QELWUMQRGMXXQG-SECBINFHSA-N 279.771 3.580 30 20 CHED C[C@H](CCC#N)N[C@H]1CCC[C@H]1Cc1ccccc1 298359311 CGYAXNYHLNUNER-PVAVHDDUSA-N 256.393 3.680 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1c(F)cccc1Cl 301480344 DIYZNVGYYBBTAC-VIFPVBQESA-N 275.714 3.919 30 20 CHED CSCCc1ccc(Nc2ncccc2C#N)cc1 301568613 WFOQLGBJCBGKDN-UHFFFAOYSA-N 269.373 3.602 30 20 CHED CCOc1ccc(Oc2nnc(CC)c(CC)c2C#N)cc1 301636485 WZCNSLIPRJENJB-UHFFFAOYSA-N 297.358 3.664 30 20 CHED Cc1cccc(C)c1CCNc1snc(Cl)c1C#N 301722243 RHWKNWYLHXIYEY-UHFFFAOYSA-N 291.807 3.940 30 20 CHED CC[C@@H](CSc1ccccc1)Nc1ccc(C#N)nc1 301781712 SEYMUUJWJYCTAO-ZDUSSCGKSA-N 283.400 3.936 30 20 CHED CC1(C)CCCN(c2ccc3cc(C#N)ccc3n2)C1 301976984 MUYOJNBSXXFMBU-UHFFFAOYSA-N 265.360 3.733 30 20 CHED Cc1ccc(Nc2c(C#N)cccc2C#N)cc1F 302846281 NYWPIIHFQSFBRN-UHFFFAOYSA-N 251.264 3.621 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCC[C@@H](C)C1 303837402 CKOJKELGOZYLRE-GDBMZVCRSA-N 278.440 3.991 30 20 CHED Cc1cc(CNCC2(CC#N)CC2)sc1Br 309861269 MRVSACUKTZMUNZ-UHFFFAOYSA-N 299.237 3.603 30 20 CHED C=CCCCCNCc1cc(OC)c(OC)cc1SC 312346725 XAXOKZIREIZSAL-UHFFFAOYSA-N 295.448 3.872 30 20 CHED C=C(CC)CNCc1ccc(OC(C)C)c(OC)c1 313490396 VSTCGKNTFPKVRB-UHFFFAOYSA-N 263.381 3.538 30 20 CHED Cc1cnc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[nH]1 329522888 GHJHFOMKFFOASG-YNEHKIRRSA-N 261.369 3.913 30 20 CHED Cc1cc([C@H](C)NCCCC2(C#N)CCOCC2)c(C)o1 330391459 PDCJIWNXJCCEQU-AWEZNQCLSA-N 290.407 3.648 30 20 CHED Cc1ccc2sc(C(=O)N(C)C3(C#N)CCC3)cc2c1 336181613 FLVJTIWTQZLZPW-UHFFFAOYSA-N 284.384 3.728 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H](c2ccccc2F)C1 337513640 GXKHXAYNRCDPBS-CQSZACIVSA-N 298.336 3.826 30 20 CHED Cc1ccc(CNc2ncc(C#N)cc2Cl)c(C)c1 339132520 QBUBLVOJGLLRHN-UHFFFAOYSA-N 271.751 3.836 30 20 CHED CC(C)(C)C1CCC(CN(CCC#N)CCC#N)CC1 340728044 ZREKTJXZSSOECF-UHFFFAOYSA-N 275.440 3.968 30 20 CHED Cc1cccc(C(=O)Nc2ccccc2SCCC#N)n1 341843849 XMHSRCCTUZUMIL-UHFFFAOYSA-N 297.383 3.648 30 20 CHED N#CCCSc1nc(-c2ccccc2)ccc1C#N 341906868 YICXKXZIXBGOLB-UHFFFAOYSA-N 265.341 3.626 30 20 CHED CSc1ccccc1[C@@H](C)Nc1cc(C#N)ccn1 343044408 WXASGQZAVMRHCL-LLVKDONJSA-N 269.373 3.848 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(F)c(C2CC2)c1 343905974 LQUDJSCXCOZAKT-UHFFFAOYSA-N 284.334 3.943 30 20 CHED CC1=C(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CCC1 344377990 BNVGSENOSYLOHH-UHFFFAOYSA-N 280.371 3.550 30 20 CHED N#Cc1nn(Cc2ccc3ccccc3n2)c2ccccc12 344759767 CWWZRDNVJVIDEW-UHFFFAOYSA-N 284.322 3.504 30 20 CHED CCC(CC)[C@@H](NC(=O)NCCCC#N)c1ccccc1 345479145 MKPJTEMJUSYCJZ-MRXNPFEDSA-N 287.407 3.767 30 20 CHED Cc1c(Cl)cccc1C(=O)NCC(C)(C)CCC#N 345881051 HQEZCVPVVFVIOE-UHFFFAOYSA-N 278.783 3.708 30 20 CHED N#CC1(C(=O)Nc2ccc(Oc3ccccn3)cc2)CCC1 345991368 MKYXIKRAVMNZPC-UHFFFAOYSA-N 293.326 3.506 30 20 CHED C=C(CNC(=O)Nc1cccc(COC)c1)c1ccccc1 348480214 SHBFXYGECRBAAF-UHFFFAOYSA-N 296.370 3.668 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccoc1C 351612933 RBQVCZMMQBCMEE-UHFFFAOYSA-N 261.365 3.797 30 20 CHED C[C@@H]1c2cccc(Br)c2CCN1CCCC#N 351929609 ZWNMZFSVMAJFDU-LLVKDONJSA-N 293.208 3.672 30 20 CHED CC(C)COc1cccc(CNCCCCC#N)c1 352436046 XVDANORNMFAZTP-UHFFFAOYSA-N 260.381 3.505 30 20 CHED N#Cc1cc2c(nc1N[C@@H]1CCc3cc(F)ccc31)CCC2 352686686 OTTSYGDAFZNVKP-QGZVFWFLSA-N 293.345 3.680 30 20 CHED C[C@@H](CC(F)(F)F)NC(=O)C[C@H](CC#N)c1ccccc1 356761042 GSDXJCZBDJDXJV-AAEUAGOBSA-N 298.308 3.531 30 20 CHED CSc1ccccc1CSc1ccc(C#N)cn1 358291056 SIMNXZJHGUTRIU-UHFFFAOYSA-N 272.398 3.967 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(-c2ccncc2)cc1 358358403 SDBWQZZYZCTDSU-MRXNPFEDSA-N 296.414 3.992 30 20 CHED C=CCN(CCC#N)C(=O)C(C)(C)c1ccc(Cl)cc1 359386709 JPVKPUPKXPPEDT-UHFFFAOYSA-N 290.794 3.546 30 20 CHED CCN(CCC#N)C(=O)CC1CCC(C(C)(C)C)CC1 361996649 QETYGNDWMSEEQZ-UHFFFAOYSA-N 278.440 3.991 30 20 CHED N#CC[C@H](CC(=O)N1CC(C2CCCC2)C1)c1ccccc1 365409120 GRTGYGBFOCKKKR-QGZVFWFLSA-N 296.414 3.723 30 20 CHED COc1cc(CNCC(C)(C)C(C)(C)C)ccc1C#N 383301728 QDIRMEMHJDNZCS-UHFFFAOYSA-N 274.408 3.729 30 20 CHED COc1cc(CN[C@H](C)CCC(C)(C)C)ccc1C#N 395284189 BBYHIXGFWBGVCQ-CYBMUJFWSA-N 274.408 3.871 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Cl 398124232 HYJHJVZOZMICRP-JTQLQIEISA-N 296.754 3.723 30 20 CHED CC[C@@H](C(=O)N1CCC(CCC#N)CC1)c1ccccc1 399342981 IQDDKGDDVVWNGJ-QGZVFWFLSA-N 284.403 3.723 30 20 CHED CC(C)(CCNCc1ccc(C#N)c(F)c1)C1CC1 404250040 JRWSLFIMYJPVOY-UHFFFAOYSA-N 260.356 3.613 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccccc2s1 410132045 BBWOEFUIUCQYSZ-GFCCVEGCSA-N 259.374 3.986 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cccc(-c2ccoc2)c1 410833825 ICCLZJHIMLWUTN-MRXNPFEDSA-N 282.343 3.711 30 20 CHED CC(C)C(CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)C 412276822 GIJOBFDSFZGOIU-DLBZAZTESA-N 298.430 3.706 30 20 CHED CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C 412376653 ATJFQLNMOLHYNG-BBWFWOEESA-N 298.430 3.993 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412376971 AWPTWXHYGBSIGH-JCGIZDLHSA-N 296.414 3.913 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1CCCCC1 412847006 XSLKMMWADNTKTF-KRWDZBQOSA-N 271.404 3.870 30 20 CHED Cc1cc(-c2noc([C@@H](C)SCCC#N)n2)ccc1F 413008962 AUYMEUFRJHNMLO-SNVBAGLBSA-N 291.351 3.892 30 20 CHED C[C@H](CCc1ccccc1)Nc1ncc(C#N)cc1F 413022589 FGYGKXLPKUEEEI-GFCCVEGCSA-N 269.323 3.526 30 20 CHED N#CC1(CNCc2ccc(-c3ccccc3)o2)CCC1 418139612 HVIGAKUEKMBTNI-UHFFFAOYSA-N 266.344 3.730 30 20 CHED CC(C)(C#N)CCSCc1c(C#N)cccc1[N+](=O)[O-] 419477838 QPTQNNHREXIBKW-UHFFFAOYSA-N 289.360 3.640 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCCC(C)(C)C#N 421193335 YAZIBQVWBUBCGB-UHFFFAOYSA-N 262.740 3.839 30 20 CHED COC1([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)CCCC1 421860090 SUSFWSLMUIYWOK-KSSFIOAISA-N 298.430 3.873 30 20 CHED C=C(C)C(C)(C)c1nc(C2(OC)CCCCC2)no1 424364142 QFXBBAROUNZAAL-UHFFFAOYSA-N 264.369 3.729 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 424673924 BYEYBWABLVYDDP-HNNXBMFYSA-N 289.394 3.819 30 20 CHED C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C1CCCCC1 424995175 KCVCHSDXTKUQBN-CRAIPNDOSA-N 298.430 3.844 30 20 CHED CC#CCCCC(=O)N(C)C/C(C)=C\c1ccccc1 427218476 MMGIYVBLKSOLME-PEZBUJJGSA-N 269.388 3.742 30 20 CHED C=CCN(CCC#N)C[C@H](C)c1cccc(Cl)c1 428846871 SEDOQIIYGITIAB-ZDUSSCGKSA-N 262.784 3.845 30 20 CHED CN(CCSCc1ccccc1)Cc1ccc(C#N)cc1 430744031 TTZWXMCVYISRER-UHFFFAOYSA-N 296.439 3.923 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1ccc(CC)cc1 432554749 LSMFZNMXHWCUGI-UHFFFAOYSA-N 288.435 3.993 30 20 CHED Fc1ccc(C#CCNc2ccc(F)c(F)c2)cc1 433429287 CSBUBHUSGNRXEL-UHFFFAOYSA-N 261.246 3.568 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C)ccnc1OCC 433870281 PVEZEWUWJHUOJR-UHFFFAOYSA-N 290.407 3.607 30 20 CHED CC[C@@H]1CCCCN1c1ccc(C(F)(F)F)c(C#N)n1 443408525 KXSRNXOCPMBGOK-SNVBAGLBSA-N 283.297 3.741 30 20 CHED N#Cc1nc(N2CCC[C@@H]2C2CCC2)ccc1C(F)(F)F 443519620 PAACAUWMHXHWKX-CYBMUJFWSA-N 295.308 3.741 30 20 CHED C=CCN(C(=O)c1ccc(C2CC2)cn1)c1ccccc1 445516219 OVVSBVHPTDHUKM-UHFFFAOYSA-N 278.355 3.792 30 20 CHED C=CCCCC[C@H](C)Nc1cccc(C(=O)NC)c1C 449040077 GDAFSAFXVMRFOA-ZDUSSCGKSA-N 274.408 3.901 30 20 CHED C=CCC1(CNCc2cccc3nccn23)CCCC1 449605591 NRESDZHYPNOQKJ-UHFFFAOYSA-N 269.392 3.560 30 20 CHED C=CCC[C@@H](CO)NCc1ccc(-c2ccccc2F)o1 449694061 AMJRIBKUJXXQEF-ZDUSSCGKSA-N 289.350 3.502 30 20 CHED C=C(CC)CN[C@H](C)CC(=O)Nc1ccc(C)cc1Cl 449735373 QMZAIMLQMICUBT-CYBMUJFWSA-N 294.826 3.921 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCC[C@H]1CC 450482866 DIIKGXPSSDHTCA-ZBFHGGJFSA-N 275.392 3.663 30 20 CHED C=CC(C)(C)CNC(=O)c1ccccc1COC(C)(C)C 452773034 HKRZMWJFSTWUAO-UHFFFAOYSA-N 289.419 3.944 30 20 CHED CCC1(NC(=O)[C@H](C)c2cccc(C#N)c2)CCCC1 452954847 MNZVRCJFKFHJMU-CYBMUJFWSA-N 270.376 3.501 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(C(=O)C(C)C)cc1 452984617 YCBZMWLZEVQDSR-UHFFFAOYSA-N 259.349 3.676 30 20 CHED CC[C@H](NCc1cnc(C)cc1C)c1ccc(C#N)cc1 453364830 ORKDCIANSVFMDF-SFHVURJKSA-N 279.387 3.811 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 454259121 DRYUOXRCGRSERO-AWEZNQCLSA-N 290.407 3.800 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1c(C)cccc1C 455324901 MKRCDAGPWGESHF-AWEZNQCLSA-N 260.381 3.630 30 20 CHED N#CCc1ccc(NC(=O)NCC2CCCC2)c(Cl)c1 455695002 ANNQZSIHUWMDQC-UHFFFAOYSA-N 291.782 3.718 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(CC#N)cc1Cl 455710032 WKSWXIOCGHBUIY-UHFFFAOYSA-N 291.782 3.836 30 20 CHED CCC(C)(C)CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 456019456 GVMHUSDUUFVGAP-UHFFFAOYSA-N 286.419 3.679 30 20 CHED C=CCOCC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 458133046 RCMJXONWDDZTPS-SFHVURJKSA-N 299.414 3.723 30 20 CHED C=C[C@@H](CC(=O)N(C)C1CC(C)(C)C1)c1ccccc1 458183672 KNQLMPZUDVSHPX-AWEZNQCLSA-N 271.404 3.993 30 20 CHED C[C@@]1(NC(=O)C[C@@H](CC#N)c2ccccc2)CC=CCC1 458345724 NBQMKYFZJQKAFZ-SJLPKXTDSA-N 282.387 3.689 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)NCC(C)(C)CC#N 459260117 PHRJEJNKSOIAAC-CQSZACIVSA-N 279.428 3.681 30 20 CHED CCc1cc(C#N)c(NC(=O)CC(C)(C)C2CC2)s1 460021872 PGTTVFAVDOHNDW-UHFFFAOYSA-N 276.405 3.947 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 460597080 DFBQOKYQPTVLNJ-USXIJHARSA-N 299.414 3.950 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 462191887 VBPCJDYZAQMYOP-BFHYXJOUSA-N 272.392 3.603 30 20 CHED N#Cc1cc(F)ccc1NCCc1cccc(F)c1F 462834220 RIIYTUWLWJCYBN-UHFFFAOYSA-N 276.261 3.630 30 20 CHED C=CCOCCCC(=O)Nc1cc(Cl)cc(Cl)c1 463241153 DCHLGQCFCDSGMP-UHFFFAOYSA-N 288.174 3.915 30 20 CHED C=C[C@@H](C)NC(=O)N1CCCC2(CCCCCC2)C1 464751550 MEJQCGLAOQJWRT-CQSZACIVSA-N 264.413 3.707 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1coc2cc3c(cc12)CCC3 466533838 KFZQVHIHGPFLAY-MRXNPFEDSA-N 297.398 3.935 30 20 CHED C=CCCN(C)C(=O)c1cccn1[C@H](C)Cc1ccccc1 466637553 ZZDTVNOTUIXOLY-MRXNPFEDSA-N 296.414 3.940 30 20 CHED C=CCCN(C)C(=O)CCc1ccc(Cl)c(Cl)c1 466638715 FUBLTRUKLNJTRL-UHFFFAOYSA-N 286.202 3.961 30 20 CHED CC#CCCCC(=O)NCc1ccc(C)cc1SC 466646772 LILCZZIRXQJZIG-UHFFFAOYSA-N 275.417 3.527 30 20 CHED C=CC[C@H](CC)NC(=O)c1c[nH]cc1-c1ccccc1F 467695376 QYLWOVPNUBFRSG-LBPRGKRZSA-N 286.350 3.905 30 20 CHED N#Cc1cc(CN2CCC[C@H]2Cc2ccccc2)ccc1F 468267566 FNAYWSBYVGJDCB-SFHVURJKSA-N 294.373 3.904 30 20 CHED CCCC[C@@H](CC)C(=O)N(CCC#N)CCC(C)C 468323618 MWBQLYMSDMWJJB-OAHLLOKOSA-N 266.429 3.991 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC[C@@H]1CCCO1 468413936 CDTLGRAHKWQPPA-HNNXBMFYSA-N 276.376 3.680 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2Cc3ccccc32)CCCC1(C)C 470297357 LZUOMAXVILRMOL-IRXDYDNUSA-N 283.415 3.920 30 20 CHED C=CCOCCCN1CCC[C@@]1(C)Cc1ccccc1 470768611 BOSGRPKYMDTMCE-SFHVURJKSA-N 273.420 3.676 30 20 CHED C=CCCCCNC(=O)N(CC)CCc1ccccc1 472836502 PNYAIGPRARWZHL-UHFFFAOYSA-N 274.408 3.617 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 473840489 APZNKJUWKOGDQA-QAPCUYQASA-N 295.467 3.890 30 20 CHED C=CCCCCNC(=O)N(C)[C@@H]1CCC(C)(C)C1 474646355 VNWYEOHFGJQPBE-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=CCCC1(C(=O)N[C@@H](CC)Cc2ccccc2)CC1 475582913 DERMICDVRZVJPM-INIZCTEOSA-N 271.404 3.870 30 20 CHED COc1cc(NCc2ccc(F)c(C#N)c2)c(C)cc1C 480308446 PFFAOIOOLWOHTH-UHFFFAOYSA-N 284.334 3.935 30 20 CHED CC(C)c1cccc(NC(=O)c2ccc(C#N)s2)c1 486822362 JZUOWZWEQHBNGE-UHFFFAOYSA-N 270.357 3.995 30 20 CHED Cc1cc(CN[C@@H](C)c2ccccc2)ccc1C#N 488129838 OMHSTKDNDQBPDY-AWEZNQCLSA-N 250.345 3.718 30 20 CHED Cc1csc(C(C)(C)NCc2ccc(C#N)c(C)c2)n1 488220012 JZGQUXIYEUMDTM-UHFFFAOYSA-N 285.416 3.657 30 20 CHED C=C(C)CNC(=O)N1CCC[C@@H]1CC1CCCCC1 488602935 ZDOFXMHHJWYQOP-OAHLLOKOSA-N 264.413 3.707 30 20 CHED C=CC[C@@H](C(=O)NCCCC(C)C)c1ccccc1 488627199 IUIJXVYNYIXYDB-MRXNPFEDSA-N 259.393 3.899 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)Cc1cccc(F)c1 488877239 HZMDPDBYFDJRDY-WMLDXEAASA-N 289.394 3.962 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)CSc1ccccc1 488880916 VISKXWHOTWIMNM-GJZGRUSLSA-N 289.444 3.982 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(OC(C)C)c1)C1CC1 489548009 ZGQKLNUMCGODML-UHFFFAOYSA-N 288.391 3.965 30 20 CHED C=CCN(C(=O)NC[C@@H]1CCCCC(F)(F)C1)C1CC1 490661154 YIEKJZZZBVCMSU-GFCCVEGCSA-N 286.366 3.562 30 20 CHED C=C[C@H](C)ON=C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 496292573 ISOZBJSIQKRFGK-IHRRRGAJSA-N 296.411 3.599 30 20 CHED CCOC(=O)Nc1ccc(NCc2ccoc2C)cc1C#N 496827041 IMBIKDNIABUCNV-UHFFFAOYSA-N 299.330 3.640 30 20 CHED C=CCN(CCC(C)(C)C)Cc1cccc(C#N)c1 496999776 HMEXKRAOGHJXFH-UHFFFAOYSA-N 256.393 3.982 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H](CC)CCC 497703118 JUXMUYXXEXYRKV-AWEZNQCLSA-N 278.396 3.598 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1C[C@H]1c1cccc(OCC)c1 497937679 VVORWMZQEFXKQO-HOTGVXAUSA-N 287.403 3.660 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@@H]1C1CCCC1 501269890 SNMSCLXBYONQHG-QGZVFWFLSA-N 284.403 3.721 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(C(F)(F)F)c1 502415186 JXGVTCUVVAHNRA-AWEZNQCLSA-N 298.308 3.764 30 20 CHED N#Cc1ccc(Cl)c(C(=O)NCCCc2ccccc2)c1 503497646 RQFQFZBANXOIAF-UHFFFAOYSA-N 298.773 3.574 30 20 CHED C=C(C)CCc1noc(-c2cnc(C(C)(C)C)s2)n1 508616745 WKPVGRVFJISUHP-UHFFFAOYSA-N 277.393 3.999 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C(C)C)C1 508956931 VEZTUXULKYNUHE-MRXNPFEDSA-N 296.418 3.613 30 20 CHED CCc1ccc(-c2ccc(CN(CC)CC#N)o2)cc1 511489320 QWKSOJODSNEOLU-UHFFFAOYSA-N 268.360 3.854 30 20 CHED N#Cc1ccc(NC(=O)NCCC2=CCCCC2)cc1F 516217700 QPMQOKXCWQFYAY-UHFFFAOYSA-N 287.338 3.709 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(C(=O)C3(C#N)CC(C)C3)C2)cc1 518048551 WGHCYURODYHQBE-QZDWLRDRSA-N 296.414 3.639 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc(OC)c(O)c1 519484721 YDTVJJQJWFNKLO-STQMWFEESA-N 263.381 3.796 30 20 CHED C=CCN(CC=C)C(=O)NCC(C)(C)Cc1ccccc1 524223104 DIJLECZDNOYTMN-UHFFFAOYSA-N 286.419 3.639 30 20 CHED CC(C)(C)C[C@H](N=c1ccc(C#N)c[nH]1)c1ccccc1 525642231 UGGVOXDMZRLCNJ-INIZCTEOSA-N 279.387 3.965 30 20 CHED CCC[C@H](OCC)C(=O)Nc1ccc(CC#N)cc1Cl 529435378 TXUVTWUGZPKLFL-AWEZNQCLSA-N 294.782 3.550 30 20 CHED Cc1ccccc1OCc1cn2ccccc2c1C#N 530633411 HQGVKCTWPOQFCF-UHFFFAOYSA-N 262.312 3.698 30 20 CHED CCN(Cc1cccc(C#N)c1F)c1ccccc1OC 537049260 YTVIPQDXGHNZAW-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccnc2ccccc12 538739071 ZBZFCSZNGHWSNF-UHFFFAOYSA-N 281.403 3.997 30 20 CHED C=C(CC)CN[C@H](C)c1nc(C2CCCCC2)no1 542621222 JGDLIMAFPMMUTP-GFCCVEGCSA-N 263.385 3.734 30 20 CHED N#CCC1CCN(Cc2ncc(-c3ccccc3)s2)CC1 543780352 MXIRXARIQBOGBW-UHFFFAOYSA-N 297.427 3.936 30 20 CHED Cc1cc(C#N)cnc1-c1nc(C2CCC(C)(C)CC2)no1 551097568 NHVRWGAKYFWJEC-UHFFFAOYSA-N 296.374 3.996 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(F)cc2F)n1 551144377 RIHCAWQFKWCBSR-UHFFFAOYSA-N 264.275 3.869 30 20 CHED C/C=C\c1ccc(NC(=O)c2ncc(C#N)cc2C)cc1 552170676 QRAQWBGRTBCLOO-ARJAWSKDSA-N 277.327 3.547 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2Cl)[C@H]2CCC[C@@H]21 558992731 XMMXGCNWMMKJPZ-AAEUAGOBSA-N 275.783 3.622 30 20 CHED Cc1ccc2c(c1)N(CCC(C)(C)C#N)C[C@@H](C)O2 561675075 SRHWHOTULSKRAF-CYBMUJFWSA-N 258.365 3.522 30 20 CHED C=CCCCC(=O)Nc1ccc(C#N)c(Br)c1 561816219 HGSIMIHSXUJZQH-UHFFFAOYSA-N 293.164 3.616 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CCc2ccccc2C1 563217085 LAILIUULSHJWGG-MRXNPFEDSA-N 290.366 3.610 30 20 CHED CC(C)(C)C[C@H](Nc1cc(C#N)ncn1)c1ccccc1 566951826 OTNAQUMWCHPHBC-HNNXBMFYSA-N 280.375 3.938 30 20 CHED N#CCCN(C(=O)CC1CC(F)(F)C1)c1ccc(F)cc1 568473197 ZPNJOALSLPTMBT-UHFFFAOYSA-N 296.292 3.508 30 20 CHED Cc1cc(C#N)cnc1C(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 569454672 CEQQRLJYEZZFNZ-GJZGRUSLSA-N 299.418 3.549 30 20 CHED CCCC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(C#N)cc1 569972195 AALZCJVQIAHFOK-ZIAGYGMSSA-N 287.407 3.839 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1nc(C2CC2)cs1 570173733 MESGGIWMOAEZHK-UHFFFAOYSA-N 295.411 3.845 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H]2CCCSC2)c1 574728347 JCELCOATRASJDA-ZDUSSCGKSA-N 291.416 3.723 30 20 CHED C=CCCCCSCc1nc(C(C)(C)C)no1 576451480 CMVODNIDSFDARY-UHFFFAOYSA-N 254.399 3.957 30 20 CHED C[C@H](CC1CCCC1)C(=O)NC1(c2cccc(C#N)c2)CC1 579387043 BEYKKQXTMZNGIN-CQSZACIVSA-N 296.414 3.880 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)CCCCCC#N)CC1 588164874 WLBAEEPXJHVSJK-UONOGXRCSA-N 250.386 3.545 30 20 CHED CC(C)(CCC#N)CNC(=O)C[C@H]1CCc2ccccc21 588177714 TYIYHFKMOQOVQU-OAHLLOKOSA-N 284.403 3.553 30 20 CHED C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1cccc(C#N)c1 589578764 LKGULOQFFYHQHH-LLVKDONJSA-N 292.298 3.511 30 20 CHED N#Cc1ccccc1/C=C/c1nc(CC2CCCC2)no1 590280743 MVUIPQYWSPFOAK-MDZDMXLPSA-N 279.343 3.844 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)[C@]1(C#N)CC12CCCC2 590709658 WLNJVURBZPBTTC-HNAYVOBHSA-N 296.414 3.955 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCC(CC)CC 591413415 NRJGCGBKLSRQSW-UHFFFAOYSA-N 288.435 3.863 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1cccc(C#N)c1 591852982 NWRSKAOKMSETAG-HNNXBMFYSA-N 289.382 3.931 30 20 CHED CC(C)c1cccc(N(CCO)CCC(C)(C)C#N)c1 593048328 HGNQHDPGZVLNAE-UHFFFAOYSA-N 274.408 3.549 30 20 CHED CC[C@H](CC#N)NCc1csc(C2CCCCC2)n1 594009464 QWMVODJKMZTCOD-CYBMUJFWSA-N 277.437 3.973 30 20 CHED CCN(Cc1c(Cl)ccc2cccnc12)[C@@H](C)C#N 595814310 TXLUCHLVKLDRII-NSHDSACASA-N 273.767 3.622 30 20 CHED CC(C)C[C@H](C)Cn1cc(C#N)c2ccccc2c1=O 596315546 XIZNDUVNRAFGLG-ZDUSSCGKSA-N 268.360 3.555 30 20 CHED C[C@@H](NC(=O)c1ccc(C2CC2)cc1)c1ccc(C#N)cc1 596741016 KDYNAQQKXMQRMZ-CYBMUJFWSA-N 290.366 3.927 30 20 CHED C=CCCSCCNC(=O)CC[C@H](C)c1ccccc1 597968646 LJNJOJYIPSBDOE-HNNXBMFYSA-N 291.460 3.996 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)C(F)(F)[C@@H](C)C1 599515316 RJKAUMHUVYACLM-STQMWFEESA-N 278.346 3.590 30 20 CHED CCC[C@H](C)CC(=O)N(CC#N)c1ccc(F)cc1C 602388289 ZQIPMELAUJCVOV-LBPRGKRZSA-N 276.355 3.817 30 20 CHED CC(C)CCc1ccc(NC(=O)c2ccc(C#N)cn2)cc1 609343415 ZAMGPWOBGYGTGX-UHFFFAOYSA-N 293.370 3.794 30 20 CHED Cc1ccc2oc(=N[C@@H](C)c3cccc(C#N)c3)[nH]c2c1 610340446 XAFOIDSMEQWZCJ-LBPRGKRZSA-N 277.327 3.603 30 20 CHED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)C1CCCC1 610522675 GUZDGGIBCANVTN-CYBMUJFWSA-N 288.366 3.899 30 20 CHED C[C@H](NC[C@@H]1Cc2ccccc21)c1ccc(C#N)c(F)c1 611465619 FXEYZXHLQRMWIZ-LRDDRELGSA-N 280.346 3.688 30 20 CHED CC(C)c1ccc(CNC(=O)N2CCC[C@](C)(C#N)C2)cc1 612113562 VZEHYAWCARVYAU-GOSISDBHSA-N 299.418 3.645 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@](C)(C#N)C1 612250428 HQDURSRGFRVTBL-CRAIPNDOSA-N 284.403 3.641 30 20 CHED C=CCOc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1 614932418 LWEFFMOBSGQRGM-UHFFFAOYSA-N 285.318 3.667 30 20 CHED C=CCCNC(=O)c1ccc(COc2ccc(C)cc2C)o1 617614803 OFXLLDCKKJOSDW-UHFFFAOYSA-N 299.370 3.781 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 617779749 IHEHCHGJWCTCQW-XYPHTWIQSA-N 287.378 3.744 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC(c2ccccc2)C1 637025134 XEYURIGGJHYQBQ-CQSZACIVSA-N 272.392 3.540 30 20 CHED C=C(C)CN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 660710567 VDFSQMQCSJMBMN-SNVBAGLBSA-N 263.772 3.785 30 20 CHED C=CCC[C@H](NCc1nn(C)c2ccccc12)c1ccco1 671760785 WRLSHOXQYPGWQT-HNNXBMFYSA-N 295.386 3.963 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(Cl)c2ncccc12 679229393 YCVQDMDOWBEYFR-UHFFFAOYSA-N 289.766 3.928 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2ccc(F)cc2)CCC1 684938549 CTFRCLUJZONFLQ-HNNXBMFYSA-N 275.367 3.718 30 20 CHED Brc1ccc(CNN=Cc2ccccc2)cc1 726739959 NEXUUJSQKHFWGN-UHFFFAOYSA-N 289.176 3.573 30 20 CHED C=CC[C@@H](C)C(C)=NNc1oc(C(C)C)nc1C#N 727778282 AKVXPLAGACLFTP-SNVBAGLBSA-N 260.341 3.670 30 20 CHED C#Cc1cccc(NC(=O)C(C)(C)c2ccc(F)cc2)c1 728462201 RQOOQRXGODXLKV-UHFFFAOYSA-N 281.330 3.723 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 728714848 AZCFZRVGMCSLGP-IWCQGFGOSA-N 284.403 3.503 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNCCCOc2ccccc2)o1 729147422 AQWWYHXWVYBHMM-RHSMWYFYSA-N 298.386 3.796 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CCc2ccc(C)cc21 730147214 NFLRLNJNIBZRIY-YDDPGSGASA-N 281.355 3.816 30 20 CHED Cc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)cc1F 731487426 UNCVXZXEJYEACY-UHFFFAOYSA-N 287.294 3.797 30 20 CHED CC(C)c1ccc2cc(C(=O)N[C@@H](C#N)C(C)C)[nH]c2c1 732098535 RUOWVVUIKGFZOJ-INIZCTEOSA-N 283.375 3.569 30 20 CHED FC(F)Oc1cccc(Cl)c1C=NNC1CCCC1 732925337 XAPUHWDVZMYWDI-UHFFFAOYSA-N 288.725 3.808 30 20 CHED C=CCN(Cc1cccs1)CC(F)(F)C(F)F 733897853 YHEKDWYXPCLWKX-UHFFFAOYSA-N 267.291 3.637 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H]1CCC[C@H](C)C1 741519988 CKMJOLISMJBDTC-GXTWGEPZSA-N 287.359 3.689 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCN(C)[C@H](C)C1 741722318 FLAJBNHKWRNLJF-CVEARBPZSA-N 282.472 3.726 30 20 CHED CCC(=NNc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 741806091 GPOGMEZHGCMBPT-UHFFFAOYSA-N 297.189 3.953 30 20 CHED C#Cc1cccc(NC(=O)c2cnc3ccsc3c2)c1 741894796 LLMMWIKRMFNIKJ-UHFFFAOYSA-N 278.336 3.530 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)c1ccc(C)o1 742510167 IPGIYWYMCSVROK-ZDUSSCGKSA-N 289.400 3.968 30 20 CHED COc1ccccc1C=NOCCCOc1ccccc1C 742575566 JJXZYPJQWGOEQG-UHFFFAOYSA-N 299.370 3.823 30 20 CHED C=C(Cl)COC(=O)c1ccc(F)c(C(F)(F)F)c1 743058350 RPFXHHPJJCZDDC-UHFFFAOYSA-N 282.620 3.754 30 20 CHED C[C@@H](/N=C/c1ccccc1O)c1ccc(-n2cccn2)cc1 743501418 LPYWVYROODIDAD-NFECSFHCSA-N 291.354 3.758 30 20 CHED CC#CCOC(=O)c1ccc(-c2ccc(F)cc2)s1 744579684 NEPNHHVNBJKQAM-UHFFFAOYSA-N 274.316 3.734 30 20 CHED CCCCCCCCCOC(=O)[C@H]1CCc2c[nH]nc2C1 745621185 COQFOHWEPYQKIR-AWEZNQCLSA-N 292.423 3.808 30 20 CHED C=C(Br)CN(Cc1ccccc1F)C(C)C 746651111 HKDHUVINFFNNGV-UHFFFAOYSA-N 286.188 3.945 30 20 CHED N#Cc1cccc(NN=Cc2c[nH]c3ccc(F)cc23)c1 747047361 XQCKNVNBDUYDNP-UHFFFAOYSA-N 278.290 3.625 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2ccn(C)c2)cc1 749858719 MXPCBVUSALYHMH-CQSZACIVSA-N 269.392 3.833 30 20 CHED CO[C@@]1(C)C[C@H](Nc2nc3ccccc3cc2C#N)C1(C)C 750030686 VLVGLBQEMSBDEP-YJBOKZPZSA-N 295.386 3.722 30 20 CHED C#CCCCNc1cc(C)nc2c(F)c(F)ccc12 752923024 VGDJDJSNFYDQMQ-UHFFFAOYSA-N 260.287 3.647 30 20 CHED C=CCN(CCc1ccccc1)Cn1ncc(Cl)c1C 753796339 ZMYSCNYLOPFVGQ-UHFFFAOYSA-N 289.810 3.533 30 20 CHED Cc1cc(F)ccc1CC/N=C\c1ccccc1O 755031396 HYGALKULBMSETF-WQRHYEAKSA-N 257.308 3.501 30 20 CHED C#CCCCCC(=O)N(C)C/C(C)=C/c1ccccc1 755488055 YXHDFZHEEOLWLS-JQIJEIRASA-N 269.388 3.742 30 20 CHED Cc1cc([C@@H](C#N)C(=O)[C@@H](C)CCC(C)(C)C)nc(C)n1 755600220 RKMJCLJEHXQPLL-SMDDNHRTSA-N 287.407 3.732 30 20 CHED N#Cc1ccccc1C=NNc1cccc(Cl)c1F 755673183 LDIMHAMCIYZOOL-UHFFFAOYSA-N 273.698 3.797 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc(F)cc1Cl 755818413 RDQXELHRNWOEAH-ZDUSSCGKSA-N 271.719 3.746 30 20 CHED C=C(Cl)CN(C)Cc1cccc(OC(C)C)c1 756642810 PJWJLORRLLROTK-UHFFFAOYSA-N 253.773 3.658 30 20 CHED CC(C)Oc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1 757472618 QFASUYWSEQBFJC-RMKNXTFCSA-N 298.338 3.781 30 20 CHED CC1(C)CCCCC1=NNc1nc(O)c2ccccc2n1 757585065 YHOSGYXROKGEGI-UHFFFAOYSA-N 284.363 3.704 30 20 CHED N#Cc1cc(NC(=O)c2cc(Cl)cs2)ccc1F 757922012 PNRARTNFJNSYTR-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cc([N+](=O)[O-])ccc1O 758096238 REIVKFYOQWVSDD-UHFFFAOYSA-N 299.330 3.753 30 20 CHED COc1cccc2c1CCC2=NNc1c(F)cccc1F 759667690 UEUBQLWWMBPLHA-UHFFFAOYSA-N 288.297 3.736 30 20 CHED Cn1cc(C(=O)/C=C\c2csc(Cl)c2Cl)cn1 761475345 DQDFXBBWNLRBKV-IHWYPQMZSA-N 287.171 3.685 30 20 CHED C#CCCCCc1nc(Cc2cccc(Cl)c2F)no1 761615004 RHCZHPUDLDLDBO-UHFFFAOYSA-N 292.741 3.799 30 20 CHED O=C1/C(=C\c2cccc(O)c2)Cc2ccc(Cl)cc21 762446117 DFHWMHMUWKWNRZ-SDQBBNPISA-N 270.715 3.868 30 20 CHED COc1cc(CON=Cc2ccc(C(C)(C)C)cc2)ccn1 762458209 NEIZDSDEKIEOST-UHFFFAOYSA-N 298.386 3.938 30 20 CHED N#Cc1ccc([C@H](O)CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 763234712 SNMWSLSWQJUZIL-GDAAHCPNSA-N 298.430 3.540 30 20 CHED C#CCOc1ccc(COC(=O)/C=C/c2cccs2)cc1 765139843 HRFNTECJNWTTKC-MDZDMXLPSA-N 298.363 3.517 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2ccc(Cl)s2)c1 765825504 PKRMDORUPONPBW-PLNGDYQASA-N 292.743 3.996 30 20 CHED C=CCC(CC=C)C(=O)OCc1cccc2nsnc12 767375713 VDYINBWQFLKTHR-UHFFFAOYSA-N 288.372 3.503 30 20 CHED C=C(C)COc1cccc(N[C@H](C)c2cnccn2)c1 767560868 KLGIJFLSSSXETF-CYBMUJFWSA-N 269.348 3.605 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)C(C)(C)C)cc1 768542039 DIDAGGZZTCFBGQ-ZIAGYGMSSA-N 274.408 3.844 30 20 CHED C#CCCOc1ccc(CN2Cc3ccccc3C2)cc1 769337381 IBYICVXTHZQYIS-UHFFFAOYSA-N 277.367 3.605 30 20 CHED N#Cc1ccc(NN=C(Cc2ccccc2)C(F)F)cc1 769568618 AECIIKPIJJJBEE-UHFFFAOYSA-N 285.297 3.834 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(OC(C)C)c(Cl)c1 769962671 HFXFNXAWZSISRT-LBPRGKRZSA-N 265.784 3.581 30 20 CHED C=C(CC)COC(=O)CSCc1ccc(F)cc1 773431344 UTWVWLCWRRLEQZ-UHFFFAOYSA-N 268.353 3.568 30 20 CHED Fc1ccc(Cl)cc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 774593897 URVYFUJYPDVVIB-BHDSKKPTSA-N 266.747 3.591 30 20 CHED C=CCCOCCCCC(=O)Oc1ccc(C)c(C)c1 776073019 IHIBGIMACQBPPG-UHFFFAOYSA-N 276.376 3.972 30 20 CHED C=C(C)CNC(=O)c1ccc2c(c1)-c1ccccc1C2 777834228 UWKOQNLNFGAQDG-UHFFFAOYSA-N 263.340 3.564 30 20 CHED Cc1cc(C=NNc2ncncc2Cl)ccc1Cl 780282937 MFSIXVWTMJPOPZ-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@H]([C@@H](C)O)C1 780803135 IEUSGPVTEJQQRC-BBWFWOEESA-N 297.483 3.993 30 20 CHED CC1(C)CCC[C@H]1NN=C/C=C/c1ccccc1[N+](=O)[O-] 782287187 KWYIEGVYESEADW-FXJAQGABSA-N 287.363 3.762 30 20 CHED CCc1ccccc1CON=Cc1cccc(OC)c1OC 783553693 VCJIPLWJJCYCHM-UHFFFAOYSA-N 299.370 3.817 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc2cc[nH]c12 783914666 IUAVHVUWOKGGGT-UHFFFAOYSA-N 270.332 3.655 30 20 CHED Cc1cccc2c1CCN(Cc1ccc(CC#N)cc1)C2 784148551 ZFBRZNNSMSYLDA-UHFFFAOYSA-N 276.383 3.619 30 20 CHED C=CCCN(C)C(=O)/C=C/c1ccc2cc(OC)ccc2c1 786672617 ZJDDYNXOUFJSQA-YRNVUSSQSA-N 295.382 3.896 30 20 CHED C#CCC1(C(=O)N(C)CC2CCCCC2)CCCCC1 788160331 XPUQBJBTRCZPMJ-UHFFFAOYSA-N 275.436 3.999 30 20 CHED C#CCC1(C(=O)N(C)c2ccc(F)c(F)c2)CCCCC1 788175877 PFCBEASJVVFIKB-UHFFFAOYSA-N 291.341 3.901 30 20 CHED CCCCCOC(=O)c1cc(-c2cccc(C#N)c2)no1 789122163 CCPLREGQBBYTQP-UHFFFAOYSA-N 284.315 3.560 30 20 CHED COc1ncc(C(=O)/C=C\c2cccs2)cc1Cl 789155789 FHYZTQNGJHMUPJ-PLNGDYQASA-N 279.748 3.701 30 20 CHED CCCNN=Cc1c[nH]c2cc(Cl)cc(Cl)c12 790158849 XNVCCAXNXNYFRK-UHFFFAOYSA-N 270.163 3.808 30 20 CHED COC1(C=NNc2c(F)cccc2Cl)CCCC1 790174973 AHJBKEVYCPCQPY-UHFFFAOYSA-N 270.735 3.836 30 20 CHED CCCOc1ccc2[nH]cc(C=NN[C@@H](C)CC)c2c1 790182957 HQGVTVWBKQLCJE-LBPRGKRZSA-N 273.380 3.679 30 20 CHED Cc1cccnc1NN=C1C[C@H](OCC(C)C)C1(C)C 790185741 MUAZGHQIGFFCEZ-AWEZNQCLSA-N 275.396 3.629 30 20 CHED Cc1cccnc1NN=C[C@H](C)c1ccc(F)cc1 790189700 CKKDEEKNNVREIP-LBPRGKRZSA-N 257.312 3.731 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H](c2ccccc2)CC1 791070094 QUELXZCUTZVGOY-MSOLQXFVSA-N 298.430 3.768 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@@H](C)CCCc1ccccc1 791202253 YQETXJKMQHDWKL-RDJZCZTQSA-N 271.404 3.564 30 20 CHED CCC(CC)[C@H](C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 792100133 KVRMUCATXVXPNI-GXTWGEPZSA-N 295.386 3.878 30 20 CHED CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O[C@@H](C)C#N 792509639 CPKBFBLWHYXXAC-CMPLNLGQSA-N 299.292 3.729 30 20 CHED Fc1cncnc1NN=C(CC1CCC1)c1ccccc1 793209937 DURBNVDXPSYTTJ-UHFFFAOYSA-N 284.338 3.622 30 20 CHED C=CC1CCN(C(=O)[C@H](F)CC2CCCCC2)CC1 793478930 AFIXQJMERSRTMB-OAHLLOKOSA-N 267.388 3.720 30 20 CHED CC(C)C[C@@H]1CCCC(=NNc2cc(Cl)nc(N)n2)C1 794526013 FPROUBCLXRILIH-JTQLQIEISA-N 295.818 3.716 30 20 CHED CCCc1cccc(C=NNCCC(F)(F)F)c1 794547085 XXPNVCFGJHACOJ-UHFFFAOYSA-N 258.287 3.515 30 20 CHED CSCCON=Cc1ccc(Oc2ccccc2)o1 794572754 WOTQLPKKKQASSN-UHFFFAOYSA-N 277.345 3.785 30 20 CHED CSCCON=Cc1cc(-c2ccccc2)ccc1O 794574709 MKWXVSRMTSYTRR-UHFFFAOYSA-N 287.384 3.773 30 20 CHED COc1ccsc1/C=C1/CCc2ccc(O)cc2C1=O 794960020 INYCCZVBDYXCIG-FLIBITNWSA-N 286.352 3.675 30 20 CHED CC1(C)CC(=NNc2ncccc2F)c2ccccc2O1 794993257 KHPJQLZOYDYVAV-UHFFFAOYSA-N 285.322 3.598 30 20 CHED C=CC[C@@H](C)NCc1c(Cl)nc2cc(Cl)ccn12 796307749 CXTNALYJKYBGMD-SECBINFHSA-N 284.190 3.695 30 20 CHED CCc1ccc(/C=C\COC(=O)c2ccc(C#N)o2)cc1 797184786 BVIRELXKDPDLIP-ARJAWSKDSA-N 281.311 3.584 30 20 CHED CSc1ccccc1[C@H](C)OC(=O)c1ccc(C#N)o1 797244795 XSDZYGZXRHKKKM-JTQLQIEISA-N 287.340 3.791 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1cnc3ccccn13)C2=O 798231292 GQZCIRIIKRYAME-DHDCSXOGSA-N 292.363 3.972 30 20 CHED C/C(=C\Cl)CSCCCC1(C#N)CCOCC1 798372161 IRTGRFUDANMGIJ-FMIVXFBMSA-N 273.829 3.963 30 20 CHED C[C@@H]1CCC[C@H]1CNCc1ccc(N(C)CCC#N)cc1 798503181 DIDRYHANOMRSLA-WBVHZDCISA-N 285.435 3.562 30 20 CHED CC#CCCOC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 798785424 QCDPRHSIJNICPQ-NSHDSACASA-N 284.277 3.766 30 20 CHED Cc1ccc(C(=O)O[C@H](C)c2ccccc2)cc1C#N 799297504 NXVZTKVDKKARRN-CYBMUJFWSA-N 265.312 3.785 30 20 CHED Cc1ccc(C(=O)Oc2ccc(F)cc2C)cc1C#N 799354431 HKWXAOITAFNNCF-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1 800276477 AYMPAYQUUNZJRR-BXUZGUMPSA-N 293.313 3.988 30 20 CHED C[C@H](C#N)OCCNc1ccc2c(c1)C(C)(C)CC2(C)C 802743618 KDHQVDVBXMXCOP-CYBMUJFWSA-N 286.419 3.986 30 20 CHED C[C@H](C=NNc1nccnc1C1CCC1)c1ccccc1 807993874 HXTMSGHVPQGYBN-CYBMUJFWSA-N 280.375 3.946 30 20 CHED C#Cc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)cc1 809639598 OGQNQIFTQOFJQM-KXBFYZLASA-N 276.383 3.646 30 20 CHED C#Cc1ccc(CN[C@H]2CCCc3cn(C(C)C)nc32)cc1 809640853 OMGKXYJOMBPLEA-SFHVURJKSA-N 293.414 3.613 30 20 CHED C#C[C@@H](NCc1nc2ccccc2n1CCC)C(C)(C)C 809781240 KJGHHDXFFSKQMO-MRXNPFEDSA-N 283.419 3.584 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)n1)c1ccc(Cl)cc1 810540336 JJWVOWPJTBQLRA-SNVBAGLBSA-N 286.718 3.525 30 20 CHED c1ccc(CN2C[C@H]3C(=NOC4CCC4)CCC[C@H]3C2)cc1 812237199 PATNFJLQQNQWNC-FUHWJXTLSA-N 298.430 3.844 30 20 CHED C=CCC(C)(C)COC(=O)c1cccc(NC(=O)OC)c1 814003800 QPLKLDFXCIMUET-UHFFFAOYSA-N 291.347 3.624 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H](C)CCCCCC 814135397 WMATVIZRDRYZPS-AWEZNQCLSA-N 250.386 3.521 30 20 CHED Cc1ccc(NN=Cc2cc(C(=O)O)c(C)cc2C)cc1 814685642 LIUFAQBSDAKSNH-UHFFFAOYSA-N 282.343 3.756 30 20 CHED CC(=NN=C(C)c1cnccn1)c1cccc(C2CC2)c1 814861681 RLGNVUMGWBUFIL-UHFFFAOYSA-N 278.359 3.587 30 20 CHED C=CCC(F)(F)C(=O)N1CCC(C)(CC(C)C)CC1 816719648 HAXNBSDOTIYCEM-UHFFFAOYSA-N 273.367 3.873 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cnn(Cc2ccccc2)c1 819961401 PWPCLUPYVNWOHZ-UHFFFAOYSA-N 298.386 3.577 30 20 CHED C=CCC(CC=C)C(=O)OC[C@@]1(C)C[C@]1(F)Cl 821880311 RACUJTXCNGRWBT-CHWSQXEVSA-N 260.736 3.613 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cnc(Cl)cc2C)C1 821985392 AACCEHQMTYBASY-LBPRGKRZSA-N 293.798 3.863 30 20 CHED C=CC(C)(C)C(=O)N1Cc2ccc(Br)cc2C1 828550042 JKERUZYKRAHTTP-UHFFFAOYSA-N 294.192 3.504 30 20 CHED Cc1cc(C)c(NC(=O)C#CC(C)C)cc1Br 832474168 HENJQAUEAAZXJU-UHFFFAOYSA-N 294.192 3.664 30 20 CHED C#Cc1cccc(CN[C@H](C)[C@@H](OC)c2ccccc2)c1 834903416 PKLYCKMXYYOKTB-DNVCBOLYSA-N 279.383 3.534 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)n1 835038296 VHOOAZGCZWRUSW-XKAARJIMSA-N 276.405 3.700 30 20 CHED CC[C@H](CSc1ccccc1)NC(=O)C#CC(C)(C)C 837491607 FOUZDUIRZNVLCF-CQSZACIVSA-N 289.444 3.723 30 20 CHED CC1CC(C#N)(C(=O)O[C@H](C)c2ccc3c(c2)CCC3)C1 837582401 XCCXXPPEJZPOEU-YNAXMUEKSA-N 283.371 3.719 30 20 CHED C=CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCC1 839225341 VABYMIPZDZOZIB-UHFFFAOYSA-N 292.310 3.809 30 20 CHED N#Cc1ccsc1C(=O)OCCC1(C#N)CCCCC1 840218233 CHHNZLWQDYLPEG-UHFFFAOYSA-N 288.372 3.641 30 20 CHED CC(C[C@H]1CCCC(=O)N1)=NNc1cccc2ccccc12 841622190 NWUOJOMBEZSUGU-OAHLLOKOSA-N 295.386 3.686 30 20 CHED COc1ccc2c(c1)CCCC2=NOCc1cccc(C)n1 842021971 CVYLFFQDYPKLGN-UHFFFAOYSA-N 296.370 3.656 30 20 CHED C=CCCCCCn1ccnc1[C@@H](O)c1cccs1 842053725 AGNMYYAXZORHMK-AWEZNQCLSA-N 276.405 3.773 30 20 CHED C#C[C@H](OC(=O)[C@H](CCC)c1ccccn1)c1ccccc1 842363283 FAXZPOOYRHZCEE-AEFFLSMTSA-N 293.366 3.883 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@@H]1CCC(=O)[C@@H]1C 851145688 YXSCISZSUJONGI-NYTXWWLZSA-N 278.392 3.670 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C/c1ccccc1 851214531 RMXHTKVAJJYGQU-LXKVQUBZSA-N 257.333 3.571 30 20 CHED C=CC(C)(C)CCOC(=O)c1cnn(C(C)C)c1C 851299775 ZEBOINUSBUOFIF-UHFFFAOYSA-N 264.369 3.532 30 20 CHED COc1cc(F)cc(NN=C(C)CC(C)(C)C#N)c1 853319322 ORFYFANRTSNRGL-UHFFFAOYSA-N 263.316 3.562 30 20 CHED CCc1ccc(C=NOCc2ccc([N+](=O)[O-])cc2)cc1 853971293 VMSVMNMYNVOXSG-UHFFFAOYSA-N 284.315 3.708 30 20 CHED CCCC[C@](C)(F)C(=O)Oc1ccc(C#N)c(C)c1 857612973 HBJWGVXTBZUUFT-HNNXBMFYSA-N 263.312 3.691 30 20 CHED C#CCCOC(=O)N[C@@H](C)c1ccc(SCC)cc1 858943869 CRMIHOCBNPHPEY-LBPRGKRZSA-N 277.389 3.609 30 20 CHED C=CCC1(C(=O)OCc2ccncc2C)CCCC1 859716037 ZVNSXSFPQFIVEW-UHFFFAOYSA-N 259.349 3.570 30 20 CHED C=C(Cl)CN[C@H](CCO)c1cc(Cl)cc(Cl)c1 860046731 FNHOQQQFRGUSPF-GFCCVEGCSA-N 294.609 3.759 30 20 CHED CCOc1cccc(/C=C\C(=O)OCC(C)(C)CC#N)c1 860658559 LXJBYPSALWNIRL-HJWRWDBZSA-N 287.359 3.582 30 20 CHED CC(C)(CNC(=O)C#CC1CC1)c1ccc2ccccc2c1 863501325 LTCJLDGTSBVLRD-UHFFFAOYSA-N 291.394 3.647 30 20 CHED C=CC(C)(C)CC(=O)N(CCC)Cc1ccccc1O 878597138 JUXWGUYIZURCRE-UHFFFAOYSA-N 275.392 3.733 30 20 CHED CSc1ccc([C@@H](C)Nc2cc(C#N)nc(C)n2)cc1 882309322 BSQPUZFLSCJBGS-SNVBAGLBSA-N 284.388 3.552 30 20 CHED CCCCCCCC(=O)N1CCC[C@H]1c1ncccn1 898959926 MCGCOHSHKXQBBW-AWEZNQCLSA-N 275.396 3.501 30 20 CHED COc1ccc(C(=O)/C=C/c2cnn(CC3CCC3)c2)cc1 899336678 XUJBTCDGJBTMSU-BJMVGYQFSA-N 296.370 3.588 30 20 CHED C[C@H]1Cc2cc(/C=C3\CCc4scnc4C3=O)ccc2O1 899387522 ODTUBTKWJZQXOB-QVIVLVACSA-N 297.379 3.679 30 20 CHED O=C(COC1CCCC1)N(O)Cc1cccc2ccccc12 901371063 QJEBHXYINRPKTL-UHFFFAOYSA-N 299.370 3.517 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nc(O)cc(-c3ccccc3)n2)C1 901615803 IMLFNKRSJDWBIU-DGCLKSJQSA-N 297.383 3.634 30 20 CHED C=CCC[C@@H](N[C@H](CC)Cc1ccc(Cl)cc1)C(=O)O 901689953 JZLWMPSKVNBZDR-HUUCEWRRSA-N 295.810 3.670 30 20 CHED C=CCCCC[C@H](C)N[C@H](C(=O)O)c1ccccc1F 901749599 NNOUKTQSHQHSHL-WFASDCNBSA-N 279.355 3.676 30 20 CHED CC(C)c1ccc(C=NOCc2cccnc2[N+](=O)[O-])cc1 902154764 XZSQBQKWJSPUNW-UHFFFAOYSA-N 299.330 3.664 30 20 CHED CCSc1ccccc1CON=C1CCCOCC1 902325300 UJXNURZYRUHRSR-UHFFFAOYSA-N 279.405 3.872 30 20 CHED CCc1noc(-c2cccc(Nc3ccc(C#N)cc3)c2)n1 904343721 SPRAWMPLNNUELK-UHFFFAOYSA-N 290.326 3.914 30 20 CHED N#CCCCCOC(=O)/C=C/Sc1ccccc1 914618964 IOMCPYQQDCYFTB-FMIVXFBMSA-N 261.346 3.529 30 20 CHED CCCOc1cccc(N=Cc2cccc(O)c2O)c1 915113102 NRFBGNHJQHODFY-UHFFFAOYSA-N 271.316 3.637 30 20 CHED CCCCNN=Cc1ccc(-n2cnc3ccccc32)cc1 915969456 KHTFNRQUHUDCGK-UHFFFAOYSA-N 292.386 3.749 30 20 CHED C=C(Cl)COC(=O)c1cc(F)c(F)cc1Cl 916616950 ZLTCFWVKWMZRET-UHFFFAOYSA-N 267.058 3.528 30 20 CHED Cc1ccc(C)c(COC(=O)c2cccc(CC#N)c2)c1 919318152 MIAWLKLLRPKKCR-UHFFFAOYSA-N 279.339 3.727 30 20 CHED C=CCc1cc(OCC)cc(CN(CC)CC(C)C)c1O 919938927 DBXDUECKIANTKT-UHFFFAOYSA-N 291.435 3.997 30 20 CHED COc1cccc(C=NNc2cccc(Cl)c2F)c1 921137924 UILDDSLZGWCDIP-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCOc2c(F)cccc21 926244789 QAEXTDBHEHFRNP-RISCZKNCSA-N 276.355 3.567 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(F)c(OC)c1 1116488253 PSPCTSUSKGHTOY-FNORWQNLSA-N 285.318 3.688 30 20 CHED CC(C)C[C@H]1C[C@@H](Nc2cc(C#N)cc(Cl)n2)CCO1 1120833526 PBNIEPRWENWFDP-STQMWFEESA-N 293.798 3.612 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)CC1CC(c2ccccc2)C1 1121160990 LMRFNQIVIVDVEZ-PREGVCBESA-N 284.403 3.721 30 20 CHED CC[C@@H](C)CC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1 1122606857 RTLZZBFLPSCYBH-GDBMZVCRSA-N 295.386 3.544 30 20 CHED N#CCc1cccc(NC(=O)NCCCc2ccsc2)c1 1123330768 QRAGNRMOWIJYLJ-UHFFFAOYSA-N 299.399 3.568 30 20 CHED CCc1ccccc1CN(CCC#N)Cc1cccnc1 1141224485 YNRCSOPJUAPTJG-UHFFFAOYSA-N 279.387 3.560 30 20 CHED Cc1ccc(C#N)c(NC[C@@H]2CCCc3ccccc32)n1 1162551170 DMKVHKHANTWIKY-INIZCTEOSA-N 277.371 3.794 30 20 CHED Cc1cccc(C)c1NC(=O)NCc1ccc(C#N)c(F)c1 1202214213 IQROGABPDCCERK-UHFFFAOYSA-N 297.333 3.636 30 20 CHED Cc1cc(CN2CCCC[C@@H]2C(C)C)ccc1C#N 1204349546 WLWMYUGWBRKJQC-QGZVFWFLSA-N 256.393 3.877 30 20 CHED Cc1csc(NC(=O)NCC(C(C)C)C(C)C)c1C#N 1217533512 YVPVSLQXMUSVSU-UHFFFAOYSA-N 293.436 3.978 30 20 CHED Cc1ccc([C@@H](C)Nc2cccc(CC#N)n2)cc1 1255095873 OFNOJDVFBXRXAD-CYBMUJFWSA-N 251.333 3.629 30 20 CHED C#Cc1ccc(N[C@H](CC)c2ccc(OC)c(OC)c2)nc1 1262696464 HDESQAZDJQWGEU-OAHLLOKOSA-N 296.370 3.643 30 20 CHED COc1cccc(NCc2ccc(C#N)cc2F)c1C 1308464128 KHIVPZMPWNPQTR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED COc1cc(NCc2cccc(C#N)n2)cc2ccccc12 1308952785 RYKVRYQFHFAQBT-UHFFFAOYSA-N 289.338 3.727 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 1310873039 RLPVOJGMSTXLCN-KCQAQPDRSA-N 285.391 3.813 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1319942358 JHDBDYZWUYZGPN-JYJNAYRXSA-N 278.440 3.953 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)C1CCSCC1 1321495326 QMJCQFKDZOHQKO-GFCCVEGCSA-N 276.405 3.533 30 20 CHED C[C@H](c1nnc(-c2cccc(C#N)c2)o1)c1ccccc1F 1322343748 ZIZLOCPWNPRMOK-NSHDSACASA-N 293.301 3.899 30 20 CHED COC(=O)c1cccc(/C=C2\C(=O)c3ccccc3[C@H]2C)c1 1323541624 VZONMGKGSNOALX-ZSAINHDTSA-N 292.334 3.857 30 20 CHED CCc1ccc([C@H]2CCN(c3cccc(CC#N)n3)C2)cc1 1324884880 QCYAJYPMTXCSLH-KRWDZBQOSA-N 291.398 3.704 30 20 CHED C=C(C)CCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1337276499 IFJCQFZOHOMWBK-UHFFFAOYSA-N 283.375 3.784 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CC[C@](C)(CC)C1 1339040878 SVDDZVWZOXMAMR-WFASDCNBSA-N 294.468 3.515 30 20 CHED CCN(C(=O)c1csc(C#N)c1)[C@H]1CCCC[C@@H]1C 1348086569 HROUJOGSHOYNAU-FZMZJTMJSA-N 276.405 3.661 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 1352435635 RWTDBIHUPKKJAI-JTQLQIEISA-N 288.734 3.937 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)Nc1cc(C#N)ccc1F 1466789737 OKJQSAZLTTVVKL-GFCCVEGCSA-N 297.333 3.889 30 20 CHED Cc1cnc(COc2c(C)cc(Cl)cc2C#N)s1 1473047161 KCOZVYZVTCRNEN-UHFFFAOYSA-N 278.764 3.864 30 20 CHED CSc1cc(C(=O)OCC(C)(C)CCC#N)c(C)o1 1514868789 MVKFYTSPRKIDDN-UHFFFAOYSA-N 281.377 3.797 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)Cc1c[nH]c2cnccc12 1515515539 WYJWGQXULLJTRO-SUMWQHHRSA-N 298.386 3.784 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)/C=C\SC)c1cccs1 1515589769 ORDHZCGLGOHKRW-ISIFUERMSA-N 281.402 3.759 30 20 CHED C=C(CC)C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 1520647242 PVKBSLVBNJYITG-CQSZACIVSA-N 271.360 3.515 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc3occc3c2)c(F)c1 1520772899 ICIBJEYYGQEZAN-UHFFFAOYSA-N 295.269 3.801 30 20 CHED COc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1C 1525572353 USYXDZKVZKEILR-CYBMUJFWSA-N 295.338 3.793 30 20 CHED N#Cc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 1526760004 ZVLWHBRHBOUPEA-UHFFFAOYSA-N 296.757 3.805 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@]1(C)CC(C)C 1583324674 WGLVGYZFNSUEEQ-GOSISDBHSA-N 284.403 3.908 30 20 CHED CC[C@@H](C)N(CC)C(=O)c1cccc(SCC#N)c1 1587197062 LJPAGSZLOIARMM-GFCCVEGCSA-N 276.405 3.563 30 20 CHED Cc1nc(C#N)cc(NCC2CCC(C(C)(C)C)CC2)n1 1612101942 BBEXKNJXLVYLDT-UHFFFAOYSA-N 286.423 3.921 30 20 CHED CCN(CCc1ccccc1)CCc1ccc(C#N)cc1 1641519757 OVHXLRGPTIZTQF-UHFFFAOYSA-N 278.399 3.665 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccc(F)cc1C#N 1643240034 ARHWFYSMKFRZAV-UHFFFAOYSA-N 291.329 3.522 30 20 CHED Cc1nccnc1CSc1ccc(C#N)cc1Cl 1651873153 DRHBIIFBUAGZRF-UHFFFAOYSA-N 275.764 3.602 30 20 CHED Cc1cc(C)n(-c2ccc(Oc3ncccc3C#N)cc2)n1 1651942491 IWZOMJZEDYYIFD-UHFFFAOYSA-N 290.326 3.548 30 20 CHED N#Cc1ccnc(CN2CC3(CCCC3)c3ccccc32)c1 1652777312 PMEDKYDZRLRXPS-UHFFFAOYSA-N 289.382 3.785 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC(C)(C)C2)c1 1672775508 NCOYSUUMMFGURA-CYBMUJFWSA-N 271.364 3.567 30 20 CHED CC1(C)C(=NNc2cccc(C(=O)O)c2)[C@H]2CCC[C@H]21 1776037692 WBMJZLNKAMWPAU-QWHCGFSZSA-N 272.348 3.609 30 20 CHED CCc1cc(C(=O)O)c(C=NNCC2(C)CCCC2)s1 1776068627 NHLIXRVNKUJOTL-UHFFFAOYSA-N 294.420 3.513 30 20 CHED CC(C)c1cc(C(=O)O[C@@H](C)C#N)c(O)c(C(C)C)c1 7204902 OGIGDFIFTROLJZ-NSHDSACASA-N 275.348 3.708 30 20 CHED N#Cc1cccnc1Sc1ccc2c(c1)CCC2 20669278 SZBCRGKLKBXJSW-UHFFFAOYSA-N 252.342 3.593 30 20 CHED N#CCCN1Cc2ccccc2[C@@H](c2ccccc2)C1 25288172 CPVIJTSILXWKQJ-GOSISDBHSA-N 262.356 3.548 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)Nc1cccc(C#N)c1 43330098 ARILGJQXZSPVJA-NSHDSACASA-N 285.372 3.845 30 20 CHED N#Cc1ccc(F)c(COc2ccc(C=O)cc2Cl)c1 43488947 PCMSHRUMDZZNEC-UHFFFAOYSA-N 289.693 3.742 30 20 CHED CC(C)c1ccc(CNc2cc(C#N)ccn2)cc1 45046184 ZYEKMEPTLVZRPI-UHFFFAOYSA-N 251.333 3.689 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1cccc(C#N)c1 45391458 IMKRRVQYTGSJGO-UHFFFAOYSA-N 278.355 3.529 30 20 CHED O/C(C[C@@H]1CCCO1)=N\[C@H](c1ccccc1)C1CC1 46764761 ZLQUFDLNHDGJKK-GOEBONIOSA-N 259.349 3.663 30 20 CHED N#Cc1c(Cl)nsc1NCCSc1ccccc1 48546234 XWQLUEXDBXBZCS-UHFFFAOYSA-N 295.820 3.872 30 20 CHED CC(C)CCC(=O)Nc1cc(C#N)ccc1OC(C)C 48944864 KQGFCHAEBQJEHR-UHFFFAOYSA-N 274.364 3.720 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(-c2ccccc2)cc1 51040506 OBGGODWGLUDYDR-CYBMUJFWSA-N 264.328 3.842 30 20 CHED C[C@@H]1CCN(C(=O)c2sccc2C#N)c2ccccc21 52030946 FKHIZFYVPMMZCU-LLVKDONJSA-N 282.368 3.774 30 20 CHED CC[C@@H](CC#N)N[C@@H](C)c1ccccc1Br 54182901 WGUAFANTXOXDKW-QWRGUYRKSA-N 281.197 3.792 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(OCC(C)C)c1 55206682 VOPSUHRBRDLXBZ-UHFFFAOYSA-N 275.392 3.760 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC=CCC1 55891097 OJDTWJFSMDEGEI-INIZCTEOSA-N 285.387 3.566 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2F)c2ccccc21 61072165 BBCHVDFRWAAXFJ-LBPRGKRZSA-N 266.319 3.821 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)CCCCC 62904418 INBRHCMYXOAWOT-UHFFFAOYSA-N 270.376 3.653 30 20 CHED CC(C)CNC(=O)Nc1ccccc1S[C@@H](C)CC#N 66954015 WAXVFJZSCFEATE-LBPRGKRZSA-N 291.420 3.858 30 20 CHED C=CCCO[C@@H](C)C(=O)NC[C@@H](c1ccccc1)C(C)C 69353523 KGCYXVJMRCFCCH-DOTOQJQBSA-N 289.419 3.524 30 20 CHED C=CCn1c(C)nnc1S[C@@H](C)c1cc(F)ccc1F 71996601 JRCUYFXVETVVSU-VIFPVBQESA-N 295.358 3.904 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1ccc(C#N)cc1 73630592 XDRXNVSFOVUGJX-PBHICJAKSA-N 299.418 3.668 30 20 CHED CC(C)C[C@H](C)N(C)C(=O)CSc1ccc(C#N)cc1 77250654 TWIOIAHNNMSNSV-ZDUSSCGKSA-N 290.432 3.543 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1ccc(C#N)cc1C(F)(F)F 77961963 PAWPNPKOGDFISY-CMPLNLGQSA-N 298.308 3.947 30 20 CHED COCc1ccc(CNc2cc(C#N)ccc2C)cc1 88568366 YDEFBCFPYNBGAS-UHFFFAOYSA-N 266.344 3.625 30 20 CHED N#Cc1csc(CN[C@@H]2CCCc3ccc(F)cc32)c1 93116402 FAWJDPVORNZTNA-MRXNPFEDSA-N 286.375 3.926 30 20 CHED N#Cc1ccc(OCc2ccc(F)cc2F)cc1F 94679494 XOBIRZBBKSOGLX-UHFFFAOYSA-N 263.218 3.555 30 20 CHED COc1cccc(Cl)c1CNCc1cccc(C#N)c1 118447454 MOEXAMVYRGNMPQ-UHFFFAOYSA-N 286.762 3.510 30 20 CHED C#CCCCCC(=O)Oc1ccc(Oc2ccccn2)cc1 120382922 GLPDCBTXJHNXBD-UHFFFAOYSA-N 295.338 3.973 30 20 CHED C=CCN(C)[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc12 121277076 JHLOXAFZHQQIFE-CABCVRRESA-N 296.414 3.523 30 20 CHED C#CCCOc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1 122770950 AELCYSJWCOXEKD-UHFFFAOYSA-N 287.322 3.504 30 20 CHED Cc1cc(C)c(C#N)c(SCCC(C)(C)C#N)n1 123683270 OFACLHIKXRGXNV-UHFFFAOYSA-N 259.378 3.602 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 130614452 GNTAQQDCRMSSNF-UHFFFAOYSA-N 298.386 3.668 30 20 CHED N#Cc1cc(F)c(C(=O)NC2CCCCCCC2)c(F)c1 133255364 MQXFUCZAWFZMST-UHFFFAOYSA-N 292.329 3.679 30 20 CHED C=C[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 153639235 GMFYSYYDHQLOCO-HNNXBMFYSA-N 292.382 3.801 30 20 CHED C=CC1CCN(c2nc(C(F)(F)F)cs2)CC1 153784630 SPZQLOCMGDKIKL-UHFFFAOYSA-N 262.300 3.564 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c1 154464238 HGYLVXRMMCCQRL-KBXCAEBGSA-N 290.366 3.893 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCSC)cc1 154819156 IUGAVICTXMXCEZ-GFCCVEGCSA-N 285.840 3.832 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cc(C#N)cs2)c1 156696002 QRMMQXIDHYASRR-HWKANZROSA-N 269.325 3.530 30 20 CHED CCC(C)(C)NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 157771676 AJHDZVMUUFKYTD-UHFFFAOYSA-N 289.379 3.656 30 20 CHED N#Cc1ccc(OC(=O)c2ccccc2Cl)c(F)c1 157990058 LMYROBNNWJYRRE-UHFFFAOYSA-N 275.666 3.570 30 20 CHED CCCc1nccn1Cc1ccccc1C(C)(C)C#N 158047728 KFWGEKFGXXYJLA-UHFFFAOYSA-N 267.376 3.685 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(C#N)s1 158692136 RKPDXLZPUCHUQP-UHFFFAOYSA-N 256.374 3.642 30 20 CHED C=C(Cl)CN[C@H](C)c1cc(Br)ccc1F 161739433 YFFICQYZPVBZHN-MRVPVSSYSA-N 292.579 3.991 30 20 CHED N#Cc1cc(NCC2(O)CCCCC2)ccc1C(F)(F)F 164023106 PHSUCLZOFGLQEY-UHFFFAOYSA-N 298.308 3.684 30 20 CHED N#Cc1c(Br)cccc1N1C[C@H]2CCC[C@H]2C1 168581321 LMNLGZCAJYKIKB-PHIMTYICSA-N 291.192 3.557 30 20 CHED COCc1cccc(/C=C/C(=O)c2cccs2)c1 172813969 SIZJFFPJVKLSJP-BQYQJAHWSA-N 258.342 3.791 30 20 CHED C#CCCCNCc1ccc(-n2cnc3ccccc32)cc1 174613387 HASCWIYFJQWXMX-UHFFFAOYSA-N 289.382 3.529 30 20 CHED C=CCCCC(=O)OCc1nc2ccccc2s1 174915074 BWHKUDMQEJYVJX-UHFFFAOYSA-N 261.346 3.696 30 20 CHED CCCC[C@H](CCC)NC(=O)c1cccc(CC#N)c1 177296567 VRBATDWMIRXJHT-INIZCTEOSA-N 272.392 3.841 30 20 CHED N#CCCCCN[C@@H]1CCC[C@H]1c1ccc(F)cc1 178646941 CVNOZVHSMZVJCI-JKSUJKDBSA-N 260.356 3.745 30 20 CHED C=CCC[C@H](O)CN[C@H](CCC=C)c1ccccc1 180046669 DFCCWCYGSPJDTK-DLBZAZTESA-N 259.393 3.611 30 20 CHED C=CCCCCCN(C)Cc1nnc(C2CC2)n1C1CC1 181369814 BAVSVNIZFTYNSM-UHFFFAOYSA-N 288.439 3.669 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)c1cccnc1 181376542 UTMXKFOAKRYXFG-UONOGXRCSA-N 275.396 3.529 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](OCCC(C)C)C1 181414440 GKKVCQTVUKCETC-JKSUJKDBSA-N 296.455 3.578 30 20 CHED CC(C)[C@H](NCC#N)c1ccc(C(F)(F)F)cc1 181502093 VQLGUWBQFPAFJB-LBPRGKRZSA-N 256.271 3.516 30 20 CHED Cc1cc(F)ccc1CSc1nnc(C)c(C)c1C#N 181980963 AYLBJDSCNJHWEG-UHFFFAOYSA-N 287.363 3.705 30 20 CHED Cc1ccc(F)cc1C(=O)Nc1ccccc1O[C@@H](C)C#N 182098091 YAIZARCOFLSGRF-LBPRGKRZSA-N 298.317 3.677 30 20 CHED Cc1cc(C)c(C#N)c(N2C[C@H](C)C[C@@H]2c2cccnc2)n1 182610166 WDQMZBCEXJLJEC-SJKOYZFVSA-N 292.386 3.553 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cccc(-c2csc(C)n2)c1 183968599 ZKIVPVSXGMLTTG-AWEZNQCLSA-N 299.399 3.541 30 20 CHED C=CC[C@H](C)NC(=O)NCc1c(C)oc2ccccc12 184643322 DSZMQHGFKQALMX-NSHDSACASA-N 272.348 3.505 30 20 CHED COc1ccc(C[C@H](C)CN[C@@H]2CCC[C@H](C#N)C2)cc1 185873925 NJNZNPLAJFTQLZ-BHYGNILZSA-N 286.419 3.546 30 20 CHED Cc1oc2ccccc2c1C(=O)N[C@H](C#N)C1CCCCC1 186112825 HECSSSUIJLBXFW-OAHLLOKOSA-N 296.370 3.944 30 20 CHED COc1ccc(NCc2cccc(C#N)c2)cc1OC(C)C 186281621 LKVBPZBLMUDPNE-UHFFFAOYSA-N 296.370 3.966 30 20 CHED C[C@@H]1OCC[C@@H]1SCc1ccc(Cl)cc1C#N 186650243 UMLNGNHAQDNQHF-ZANVPECISA-N 267.781 3.622 30 20 CHED COc1ccc2c(c1)CN([C@@H](C)c1cccc(C#N)c1)CC2 187225842 LUZZWEWQLGWRJI-AWEZNQCLSA-N 292.382 3.686 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 187832060 CGOROAXJFKLNEM-AWEZNQCLSA-N 278.783 3.763 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(SC)cc1 188061560 IYNKPMZPGDLQOL-OAHLLOKOSA-N 279.405 3.576 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1coc(C)c1 188633474 UPFDHYDAZRHJII-UHFFFAOYSA-N 273.307 3.556 30 20 CHED CCN(C[C@@H](C)c1cccc(Cl)c1)C[C@@H](C)C#N 189743775 FDGFKKRRSDUNJC-QWHCGFSZSA-N 264.800 3.925 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 190109831 IYFZCBGLERONCS-MRXNPFEDSA-N 269.348 3.618 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccnn1C(C)(C)C 190513717 JSTUHRPJOOZHCP-LBPRGKRZSA-N 278.400 3.504 30 20 CHED CCCCCCCC[S@@](=O)Cc1cc(C)on1 190758791 IZOCVFVVLGEYDP-QGZVFWFLSA-N 257.399 3.592 30 20 CHED C#CCCCC(=O)N[C@H](CCC(C)C)C(C)(C)C 192319747 KHHFRIBOMNDDFZ-CQSZACIVSA-N 251.414 3.757 30 20 CHED COc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1OC(C)C 193295213 BXDLNWBULADRJG-ZIAGYGMSSA-N 288.391 3.977 30 20 CHED C=CCCCCCSc1nnc2n1CCCCC2 195416751 WEPJZILDGMOVIQ-UHFFFAOYSA-N 265.426 3.843 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 206982924 FDHNBPPJOGKOJY-POHAHGRESA-N 291.350 3.776 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CSc2c(F)cccc21 210050494 NCUZLCAJOBAKKC-XFFZJAGNSA-N 286.327 3.903 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1cccc(Cl)c1C 216208475 GXWZQPRGPJURNX-ZDUSSCGKSA-N 294.826 3.873 30 20 CHED CC1(C)CCCC[C@@H]1NCc1ccc(F)c(C#N)c1 229594675 MSGBYQVIRXJHQF-HNNXBMFYSA-N 260.356 3.756 30 20 CHED N#CC1(c2ccccc2)CC(NCCc2ccccc2F)C1 237818818 HAZHLGUFYIKWIS-UHFFFAOYSA-N 294.373 3.582 30 20 CHED CCCCCCCCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C 247492779 ULNMDHRNBSKHBS-CVEARBPZSA-N 282.472 3.536 30 20 CHED COc1ccc([C@@H](Nc2ncccc2C#N)C(C)C)cc1 248210290 CUYNYGTZIXABPF-INIZCTEOSA-N 281.359 3.771 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@@](C)(C#N)CCc1ccccc1 248567984 NSWVREAORLKGFU-RLFYNMQTSA-N 286.419 3.700 30 20 CHED C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 248850174 FDJGMLRFLWQJAK-VWNJHIHFSA-N 297.402 3.699 30 20 CHED C=CCOc1ccc(C(=O)N2CCCC[C@@H]2CC)cc1 253606222 VPAZGLHWVCZEOE-HNNXBMFYSA-N 273.376 3.656 30 20 CHED COCCOc1ccccc1/C=C1/Cc2ccccc2C1=O 254943787 SPIITDPHMKEUQP-SSZFMOIBSA-N 294.350 3.534 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cncs1)CO2 255548961 YFUBLRKOQHFEJM-LFYBBSHMSA-N 285.368 3.925 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 263660862 JVKYQPVIFXGYBB-ZDUSSCGKSA-N 286.400 3.926 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)Cc1cccs1 264166809 UMZXIPOMTGBEJI-UHFFFAOYSA-N 286.400 3.673 30 20 CHED N#CCCCCNc1ncc(C(F)(F)F)cc1Cl 264199714 INZCLWUQXQYKKB-UHFFFAOYSA-N 277.677 3.860 30 20 CHED C[C@H](C#N)CN(C)[C@@H](C)c1ccc(Br)cc1 264761757 DIXOEXDAHLFKJS-MNOVXSKESA-N 281.197 3.602 30 20 CHED CC(C)c1ccc([C@@H](C)NC(=O)C2(C#N)CCC2)cc1 265613852 PAUKSNPJMCLMCD-CYBMUJFWSA-N 270.376 3.681 30 20 CHED CC/C(=C\C(=O)N(CC)CC#N)c1cccc(Cl)c1 266689333 NIDOBTHVDAASPY-VAWYXSNFSA-N 276.767 3.505 30 20 CHED Cc1cscc1NC(=O)NC1(c2cccc(C#N)c2)CC1 269600391 KGHMREKNBAAVDN-UHFFFAOYSA-N 297.383 3.739 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)OCC 270089561 BSCSBOVABTZKOW-CQSZACIVSA-N 292.766 3.521 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc(F)cc1Cl)C1CC1 271588987 SRYXSZYXKNWAOS-SNVBAGLBSA-N 296.773 3.900 30 20 CHED N#CC1(c2nc(C3(c4ccccc4)CCC3)no2)CCCC1 273879729 ATMZQZJEFZDLAN-UHFFFAOYSA-N 293.370 3.875 30 20 CHED C[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(Cl)s1 274291213 CMKQEGMMBJFTJB-XPTSAGLGSA-N 298.839 3.950 30 20 CHED C#CC[C@H](N[C@H](C)c1cncc(C)c1)c1ccccc1 274417599 SYYAGKDGDIVRGT-QAPCUYQASA-N 264.372 3.805 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccc(OC(F)(F)F)cc1 276345387 UXSWHAYAXZXZPP-NSHDSACASA-N 286.297 3.709 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F 276917662 LUVQGZQBAVJRIC-XGWLTEMNSA-N 293.382 3.620 30 20 CHED Cc1cnc(C2CCN(Cc3cccc(C#N)c3)CC2)s1 277533410 PYTVGYQDUVOVJL-UHFFFAOYSA-N 297.427 3.703 30 20 CHED Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ns1 278362160 XFBOAGGXCYDSDC-UHFFFAOYSA-N 285.372 3.505 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2occ(C)c2c1 278745848 JCCUGGPTLOKICF-CZUORRHYSA-N 285.343 3.661 30 20 CHED Cc1ccc(-c2ncccc2NC(=O)CC(C)(C)C#N)s1 278745866 JCGWKEIHCRXPER-UHFFFAOYSA-N 299.399 3.997 30 20 CHED C#CCCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 280691754 NKBWIHOJUZCBQD-SWLSCSKDSA-N 293.769 3.645 30 20 CHED N#Cc1cc(NC(=O)C[C@H]2C=CCC2)ccc1Cl 284472799 OHXGTJONNUNTNC-JTQLQIEISA-N 260.724 3.506 30 20 CHED CC1=CC[C@@H](Nc2ccccc2O[C@H](C)C#N)CC1 285134254 LNQIQDUKJNAVMI-ZIAGYGMSSA-N 256.349 3.888 30 20 CHED C=CCC[C@H](N[C@H](CCO)c1ccco1)c1ccco1 285494541 ANZLMDOXXUHDBH-UONOGXRCSA-N 275.348 3.593 30 20 CHED Cc1ccccc1[C@@H](NC(=O)CCCC#N)C(C)C 291812417 ZPJRKXYLBCQDSL-INIZCTEOSA-N 258.365 3.502 30 20 CHED CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[C@H](C#N)C1 293374806 FYVNEEACHFBFBJ-PKOBYXMFSA-N 297.446 3.801 30 20 CHED Cc1sccc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 294267157 GVHJGHRPYIFNOW-UHFFFAOYSA-N 296.395 3.733 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)Cc1ccccn1 294565440 LGWGIINTOPQJJU-NVXWUHKLSA-N 299.418 3.540 30 20 CHED N#CC1(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)CCCC1 295948900 IANPWWRLCLPKHL-DLBZAZTESA-N 296.414 3.770 30 20 CHED CC/C=C/CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 296170204 AKYZMPMNEMONLA-AATRIKPKSA-N 271.364 3.575 30 20 CHED C#CCCCCC(=O)Nc1cc(Cl)cnc1Cl 297856491 YCNANPQKBDGDRY-UHFFFAOYSA-N 271.147 3.521 30 20 CHED Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccc(C#N)cn1 301303200 WNPPGGQOYKQWEW-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=CCCOCCNc1c(C#N)cnc2c(C)cc(C)cc12 301826218 MSJCBAYQQYIWNC-UHFFFAOYSA-N 295.386 3.728 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(F)cc1C#N 303148164 DYYHMOUYFOJDIJ-UHFFFAOYSA-N 294.373 3.928 30 20 CHED N/C(=N/Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 303695375 DNQRCTUUFMTOEK-UHFFFAOYSA-N 299.805 3.756 30 20 CHED C=C(Br)CSc1ccc(Cl)cn1 307460832 IMDJUXZDKKEWSI-UHFFFAOYSA-N 264.575 3.736 30 20 CHED C=C(CC)CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 313487595 GFASBTVODITGAO-CQSZACIVSA-N 296.455 3.578 30 20 CHED C[C@@]1(NC(O)=Nc2cccc(C3CCC3)c2)CCCOC1 329605899 HSHLXPZOVMTXCS-QGZVFWFLSA-N 288.391 3.658 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)C[C@H]1C 329646169 JLZNRYBPQLQGMW-NDBYEHHHSA-N 266.385 3.667 30 20 CHED N#Cc1ccc(C/N=C(/O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 330038161 ZSRSOFOGHTUVJP-DLBZAZTESA-N 297.402 3.531 30 20 CHED CC[C@H](CC#N)/N=C(/O)Nc1cc(C)c(Cl)c(C)c1 331261905 CMKLRJPXWUWLOD-LLVKDONJSA-N 279.771 3.975 30 20 CHED CCC1(C(=O)Nc2sc(C)c(C)c2C#N)CCC1 331791081 PTYVTUXISXATQV-UHFFFAOYSA-N 262.378 3.755 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC2(CCC2)[C@H]1C(C)C 333454763 OLLKEBPDNLDJOQ-MRXNPFEDSA-N 297.402 3.909 30 20 CHED Cc1ccc2ncc(C#N)c(O[C@@H]3C[C@H](C)CCC3=O)c2c1 333710933 PVUSZQBSTIHGLE-SJKOYZFVSA-N 294.354 3.551 30 20 CHED CCC[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCC1 334034396 MUOHQTHLXWFVGW-QAPCUYQASA-N 288.435 3.936 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2nc(C(C)C)oc2C)c1 335087847 YBGHMSDHTFJJDH-UHFFFAOYSA-N 283.331 3.539 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3ccccc3F)o2)C1 335542158 DDGLSXLOBZRYPC-NWDGAFQWSA-N 298.317 3.508 30 20 CHED CS[C@@H]1CCC[C@@H](NC2CCC(C)(C#N)CC2)C1 336225915 CEXFHODDDQLCSB-PIOWNMBXSA-N 266.454 3.723 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@@H](C)CCC[C@H]1C 337943416 FZVPDYGZMFCXRE-QWHCGFSZSA-N 270.376 3.517 30 20 CHED Cc1nc2ccc(Nc3cccc(C#N)n3)cc2s1 339220820 SSTWOSPNOMBSFJ-UHFFFAOYSA-N 266.329 3.615 30 20 CHED Cc1ccc(CN(C)c2ncc(C#N)cc2Cl)cc1 339237524 UQUGMLNDLFNFKO-UHFFFAOYSA-N 271.751 3.552 30 20 CHED C=CCC[C@H](NC[C@H](OC)C1CC1)c1ccccc1 340487395 FBGWVMPLBHMVSY-IRXDYDNUSA-N 259.393 3.709 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1nc(C(C)C)c(C)s1 344058751 FLACXAKTFBTMBU-HNNXBMFYSA-N 280.437 3.793 30 20 CHED C=CC[C@@H]1N(C(=O)c2cn3ccccc3n2)CCCC1(C)C 347420868 DIMSJXVJFVHVMF-HNNXBMFYSA-N 297.402 3.541 30 20 CHED N#Cc1cnccc1/C=C\c1nc2ccc(F)cc2s1 349114134 UHXCHNMLBCOYJI-RJRFIUFISA-N 281.315 3.872 30 20 CHED C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1C 350140529 UQUVYGBCJNKEDQ-CQSZACIVSA-N 284.407 3.521 30 20 CHED COc1ccc2nc(/C=C\c3ccc(C#N)cn3)sc2c1 352335559 AEVHROXMMFBSHH-DAXSKMNVSA-N 293.351 3.742 30 20 CHED N#C[C@@H](NC(=O)c1sccc1Cl)c1ccccc1F 352435720 SKNOVDLEFSOWCA-LLVKDONJSA-N 294.738 3.535 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 354761882 KYGFFVQAEVVEOB-XUJVJEKNSA-N 271.364 3.504 30 20 CHED CCCc1nc(C)c(NCc2cccc(C#N)c2)s1 354926130 GRCZHSUACTTYSH-UHFFFAOYSA-N 271.389 3.888 30 20 CHED C=CCOCCCSCc1nc(C(F)(F)F)cs1 359117641 JQWYQAOMXWQNKN-UHFFFAOYSA-N 297.367 3.988 30 20 CHED CSc1ccccc1CN(C)c1nccc(C)c1C#N 359876770 NDQNZJDJXCKKCU-UHFFFAOYSA-N 283.400 3.620 30 20 CHED Cc1ncn(-c2ccc(NCc3ccc(C#N)o3)cc2)c1C 361235539 CGTJMJQAFYYENZ-UHFFFAOYSA-N 292.342 3.566 30 20 CHED Cc1ccccc1O[C@H]1CCCC[C@@H]1NCCCC#N 361772574 YRYANISBQBFFTJ-RDJZCZTQSA-N 272.392 3.578 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 368775941 WDVPQRPACXZEOY-QGZVFWFLSA-N 287.378 3.553 30 20 CHED N#CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1 372125844 PSNSSMALKVZDAN-OAGGEKHMSA-N 294.354 3.544 30 20 CHED CC#CCCN1CCCC[C@H]1c1nc2ccccc2o1 373421798 JKPJXTFGUPFNBZ-HNNXBMFYSA-N 268.360 3.768 30 20 CHED CCCCCCCCNCc1c(Cl)cnn1C 394585007 BIZYIXSREDFYPG-UHFFFAOYSA-N 257.809 3.524 30 20 CHED CC[C@H]1CN(Cc2ccc(C#N)cc2Cl)[C@@H](CC)CO1 403895013 SMBYNBKDCHSLDK-GJZGRUSLSA-N 292.810 3.601 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(C)C)s1 410123952 VCLHJLUTKYTAFM-LLVKDONJSA-N 251.395 3.956 30 20 CHED C=CC[C@@H](CC)NC(=O)COc1cccc(C(C)C)c1 410138849 URVPRWNXDHKAII-OAHLLOKOSA-N 275.392 3.660 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1cccc(F)c1 410145494 MEDGAVAHTYJGEX-DOMZBBRYSA-N 263.356 3.790 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1cc(C)ccc1F 410562900 ZWASMMGNTMHPMQ-UHFFFAOYSA-N 290.382 3.655 30 20 CHED N#Cc1ncc(NC(=O)CC2CCCCC2)cc1Cl 411026813 DZTGXXKIYWXJLR-UHFFFAOYSA-N 277.755 3.516 30 20 CHED C=CC(C)(C)C(=O)N1CCCc2c1cc(F)c(F)c2F 411064538 RGWSWVQXZDGSIJ-UHFFFAOYSA-N 283.293 3.595 30 20 CHED CO[C@]1(C)CCCN(CCC2(C#N)CCCCC2)CC1 411669071 QHDZNQXFMCTLJO-MRXNPFEDSA-N 278.440 3.742 30 20 CHED C[C@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CS1 413525631 YSHKNEYNTJFRTF-WPRPVWTQSA-N 286.322 3.883 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@@H]1NCC(C)(C)CC#N 414163463 ISNYBAIWJKTVLF-XHDPSFHLSA-N 260.356 3.588 30 20 CHED CC[C@H](N[C@@H](C)c1nccs1)c1ccc(C#N)cc1 414217436 BQIBHHIBBDJEBI-FZMZJTMJSA-N 271.389 3.817 30 20 CHED C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](C)[C@H]1C 416108305 HFWGHUOIPHATKO-AESZEHBQSA-N 284.403 3.577 30 20 CHED N#CC1(CNCc2ccc(F)c(C(F)(F)F)c2)CCC1 418145358 XPDVWZZIUGZTRV-UHFFFAOYSA-N 286.272 3.628 30 20 CHED CN(Cc1ccc(CC#N)cc1)C1CC(OC(C)(C)C)C1 421008836 MJUPNFKTUIPYNC-UHFFFAOYSA-N 286.419 3.531 30 20 CHED CC[C@@H](C)[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424969240 AXBVDADARQGODO-YALNPMBYSA-N 284.403 3.625 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 425119912 AJDKKPVZRKBUSU-USJZOSNVSA-N 296.414 3.904 30 20 CHED CC(C)CC[C@H]1CCCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 425838020 CZPAGYWYQYPAKX-ARFHVFGLSA-N 291.439 3.679 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(F)c(F)cc1F 426551311 YZGHTGFMYCNSRU-LLVKDONJSA-N 255.283 3.644 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)Cc1ccccc1C 429887273 KLFUXZWYQHEJLC-AWEZNQCLSA-N 259.393 3.645 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1ccnc2ccsc12 435603086 GUBUVMHZBUBRLX-BXUZGUMPSA-N 274.389 3.689 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1coc2ccccc12 435740658 FTZBHWRYSXIXCY-CXAGYDPISA-N 271.360 3.504 30 20 CHED C[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl 439446047 XKJONOHAZZXVBY-JQWIXIFHSA-N 291.782 3.769 30 20 CHED Cc1ccc(CC(=O)N(C)c2ccc(C#N)cc2)c(Cl)c1 440046913 DYSDJJNODJJDPT-UHFFFAOYSA-N 298.773 3.726 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC=C(C(F)(F)F)CC1 442671930 HLALCLIZBJBWQW-LLVKDONJSA-N 280.293 3.814 30 20 CHED CC(C)OCc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442877529 ZWHRQYUZNPTVRX-CJNGLKHVSA-N 258.365 3.716 30 20 CHED C=CCc1cc(C)cc(OC)c1OC[C@H](C#N)CCC#N 445483980 RGFWSZOJUIDEOH-AWEZNQCLSA-N 284.359 3.554 30 20 CHED N#CCCCC[S@@](=O)Cc1ccc(C2CCC2)cc1 447117022 RERGJVBHDUDSAU-LJQANCHMSA-N 275.417 3.897 30 20 CHED N#C[C@@H]1N(CCCC2CCCC2)CCC[C@@]12CCCCO2 447915993 TWHJYLXPJZWUIS-ROUUACIJSA-N 290.451 3.884 30 20 CHED COc1ccc([C@@H](C)N(C)CC#Cc2ccc(F)cc2)cc1 448198261 QVIQQFNPXGCRRV-OAHLLOKOSA-N 297.373 3.879 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)N1CC2(CCCC2)c2c(F)cccc21 448847619 LSYOFAMNJMEGHN-XIKOKIGWSA-N 298.361 3.534 30 20 CHED C=CCC1(CNCc2cccc(O)c2OC)CCCC1 449603909 IOVUKYJRRRYMTM-UHFFFAOYSA-N 275.392 3.627 30 20 CHED C=CCC1(C(=O)Nc2cc(F)ccc2O)CCCC1 450049990 ZPNFVJHYVXECDX-UHFFFAOYSA-N 263.312 3.606 30 20 CHED CCSc1ccc(-c2noc([C@@]3(C#N)C[C@H]3C)n2)cc1 453168050 BSGQLOFOQIVWHC-MEBBXXQBSA-N 285.372 3.650 30 20 CHED C=CCCc1noc(CCc2cc(Cl)cs2)n1 453237854 PDLXDCOTMYZCTO-UHFFFAOYSA-N 268.769 3.688 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)[C@@H](C#N)CCc1ccccc1 457283114 NLUCCAVUIGKFEL-ZHALLVOQSA-N 298.430 3.700 30 20 CHED CCC(CC)N(CC)C(=O)NCC(C)(C)CCC#N 461521961 RUQQWLRMSXCTSP-UHFFFAOYSA-N 267.417 3.536 30 20 CHED Cc1cccc(O[C@@H](C)CNc2ccc(C#N)cc2F)c1 462909764 GRTBYEOZEAYZCC-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED CC[C@@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 464476477 XLNPZVBOWJQGCS-HZPDHXFCSA-N 284.403 3.721 30 20 CHED C=CCc1ccccc1OCc1cnn(C)c1C(F)(F)F 464795274 WUJWDTDETLAWOI-UHFFFAOYSA-N 296.292 3.746 30 20 CHED C=C[C@H](C)NC(=O)C1(c2cccc(F)c2)CCCCC1 465149179 SXVFXQCSMZWBAO-ZDUSSCGKSA-N 275.367 3.718 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1Br 466325026 JCJMTOWEUUBCNR-JTQLQIEISA-N 297.196 3.925 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)C1CCC(C)CC1 466382916 MOKDXDHIHHIGBF-ROKHWSDSSA-N 252.402 3.561 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)s2)CC(C)(C)C1 466405282 QVEJQJVFVFTFAJ-UHFFFAOYSA-N 276.405 3.518 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1cccc(C)c1C 466533258 ZZKGUFNTQGSPTI-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C=CCCN(C)C(=O)CC(C)(C)c1ccc(C)cc1 466637126 YSFPJRLSNMQWMV-UHFFFAOYSA-N 259.393 3.697 30 20 CHED C[C@@H](C#N)C(=O)N(Cc1ccccc1F)C1CCCCC1 469137482 JJQGUOIDXLNSGU-ZDUSSCGKSA-N 288.366 3.647 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2ccc(Cl)c(C#N)c2)C1 469282230 WRGNSJHBTHWXLT-MNOVXSKESA-N 276.767 3.976 30 20 CHED C=CCOc1ccc(OC[C@H](O)CC2CCCC2)cc1 473774317 SDFJHIBYIBCEKL-OAHLLOKOSA-N 276.376 3.571 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C#N)C1CCCCC1 476254940 TZDCLOIZCFMXII-VNQPRFMTSA-N 276.424 3.791 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 476371255 WEYNSQLPBGITSX-HNNXBMFYSA-N 291.435 3.731 30 20 CHED C=CC[C@@H](C)[C@@H](C)NC[C@H]1CCO[C@@H]1c1ccccc1 477932962 QQVKOIPDNQSVIE-JOCBIADPSA-N 273.420 3.955 30 20 CHED C=C[C@H](C)N[C@H](C)Cc1ccccc1C(F)(F)F 481664141 XWVGALHBTHPGNT-WDEREUQCSA-N 257.299 3.801 30 20 CHED CC#CCCNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 483428161 MVXCQFKZZXYKCW-CYBMUJFWSA-N 284.359 3.549 30 20 CHED COc1ccccc1CSc1ccc(C#N)c(C)n1 488061991 DIEPOROXRBDBTA-UHFFFAOYSA-N 270.357 3.563 30 20 CHED C=CCCCN[C@@H](c1ccc(F)cc1)C(F)(F)F 488226273 WNFHQECXAFKVEY-LBPRGKRZSA-N 261.262 3.985 30 20 CHED C=CC[C@H](C(=O)Nc1cc(C)cc(C)n1)c1ccccc1 489747301 YEUAADGUFUQFRI-INIZCTEOSA-N 280.371 3.997 30 20 CHED CCC(CC)N(CC)C(=O)[C@H](C#N)CCc1ccccc1 494842799 TXQOIWDVMUOLIE-INIZCTEOSA-N 286.419 3.796 30 20 CHED C=C(C)CN(CC)C(=O)C1=Cc2cc(Cl)ccc2OC1 497491252 IUVNCLOIBGCZJP-UHFFFAOYSA-N 291.778 3.540 30 20 CHED COc1ccc(C#N)cc1NC/C=C\c1ccccc1 500996310 JRXOHRQAZRETFP-YVMONPNESA-N 264.328 3.692 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H]2CCCC[C@@H]21 501254654 SGUJJOIEHADNJU-WBVHZDCISA-N 284.403 3.721 30 20 CHED Cc1cccc(CN(C)Cc2ccc(C#N)cc2)c1C 507218021 YXKZHOBFEYVGBF-UHFFFAOYSA-N 264.372 3.807 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@H](CC(C)C)C1 508741224 VZVKHMCAFJZNPN-OAHLLOKOSA-N 290.455 3.850 30 20 CHED C=C(C)CCN(Cc1ccccc1)CC1(O)CCCC1 509332150 RLRLNZAPMLJXTR-UHFFFAOYSA-N 273.420 3.760 30 20 CHED C=CCc1cc(CN(C)C[C@H](C)CC)cc(OC)c1O 509391533 YWBQFTUGUBQVLS-CYBMUJFWSA-N 277.408 3.607 30 20 CHED C=CC[C@@H](C)NCc1ccc(Sc2ccccn2)o1 511081682 NYUKLWNXWZSOLC-GFCCVEGCSA-N 274.389 3.880 30 20 CHED N#Cc1csc(CNC2(C(F)F)CCCCC2)c1 512858803 ZDIBCXQVABVCTQ-UHFFFAOYSA-N 270.348 3.677 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)NCC(C)(C)CCC#N 513141988 XHMQUBRSZYZMFC-UONOGXRCSA-N 279.428 3.536 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CCC(C)(C)C2)s1 513664087 QCXMBHHBKULOGO-JTQLQIEISA-N 276.405 3.947 30 20 CHED CC#CCCCc1nc(-c2ccccc2CC)no1 515252440 UAVZCWOEPZGLQQ-UHFFFAOYSA-N 254.333 3.645 30 20 CHED N#CCc1cccc(Br)c1OCCC1CC1 517785295 XUFGMRFRHXAYGK-UHFFFAOYSA-N 280.165 3.694 30 20 CHED CC[C@@H](C)[C@@H](C)N(CCOc1ccccc1C#N)C1CC1 517899107 JNIQTZZBKAXCGT-HUUCEWRRSA-N 286.419 3.836 30 20 CHED C=CCCCCSCc1nc([C@H](C)OCC)no1 518501256 JEIFYWXJEABNCK-NSHDSACASA-N 270.398 3.757 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](CCCC)C(=O)O 521257449 JWWSTBGIKKPGIB-HNNXBMFYSA-N 267.413 3.698 30 20 CHED C=CCN(C(=O)c1ccc(C)cc1OC)c1ccccc1 527078381 KFHKTIJCUZUNBI-UHFFFAOYSA-N 281.355 3.836 30 20 CHED C=CCN1CCC(N[C@H](c2cccc(C)c2)C(C)C)CC1 527860795 XYXOLIAZHKOLIL-IBGZPJMESA-N 286.463 3.932 30 20 CHED COc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(C)c1 537305668 FGXKUKPBCFQGEC-CQSZACIVSA-N 280.371 3.726 30 20 CHED C[C@@H](NCC#N)c1ccccc1Oc1ccccc1 538155416 LTQRNKPPQOGMFY-CYBMUJFWSA-N 252.317 3.653 30 20 CHED CC#CCCNC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 542674967 YJRCQIIWSUDQOU-UHFFFAOYSA-N 285.431 3.791 30 20 CHED C=CCOCc1nc(Cc2ccc(Cl)cc2Cl)no1 544934048 MLKOAUDCKMGHAK-UHFFFAOYSA-N 299.157 3.670 30 20 CHED CCN(C(=O)[C@@H](C#N)CCc1ccccc1)C1CCCC1 557190990 HJSUDZDGZHZQFQ-MRXNPFEDSA-N 284.403 3.550 30 20 CHED CCc1ccccc1CNC(=O)Nc1ccc(C#N)c(F)c1 563786854 OJNCMACZMDLTJI-UHFFFAOYSA-N 297.333 3.581 30 20 CHED N#Cc1cccc(NC2[C@H]3CC[C@H]2Cc2ccccc2C3)n1 565910815 ZZPDYOVMKYQUKD-HOTGVXAUSA-N 289.382 3.559 30 20 CHED C=CCC1(CN[C@H]2C[C@H](C)O[C@H](C)C2)CCCC1 566049811 NKHNSIKUTOGIOW-QDMKHBRRSA-N 251.414 3.669 30 20 CHED CC#CCN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1 571596256 SFSOLQXCSBJMLB-UHFFFAOYSA-N 287.359 3.650 30 20 CHED C=CCn1cccc1-c1nc(Cc2ccc(Cl)cc2)no1 573043112 YWDPPTLNGWLNJI-UHFFFAOYSA-N 299.761 3.968 30 20 CHED C=CCCCCS[C@@H](C)C(=O)Nc1ccnn1C(C)C 573823615 JBFZEKPERIKMFA-ZDUSSCGKSA-N 295.452 3.881 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)C1CCC(C(C)(C)C)CC1 574550217 OHDJPMHNDKGAQH-KVULBXGLSA-N 278.440 3.990 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cccc(C#N)c1C 580131931 KEZINJKCUKEOLO-LBPRGKRZSA-N 273.380 3.909 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(C2(CC)CCCC2)no1 582457065 XQQJCQQKHJRLKZ-CHWSQXEVSA-N 276.380 3.740 30 20 CHED C=C(C)[C@H](NCc1nc(C)c(C)[nH]1)c1ccc(F)c(F)c1 582857114 INKNGPMFTPQDPF-INIZCTEOSA-N 291.345 3.712 30 20 CHED C=CCC1(c2nc(Cc3ccc(F)cc3)no2)CCC1 584494448 KMASTKJMXJOQOQ-UHFFFAOYSA-N 272.323 3.797 30 20 CHED CCOCc1ccc(-c2noc(CCCCCC#N)n2)cc1 589096298 OWSTUQYPQACLHY-UHFFFAOYSA-N 299.374 3.900 30 20 CHED COC1([C@@H](C)Nc2nc(C(C)(C)C)ccc2C#N)CCC1 591197220 QJTXGLKJQJMTOE-GFCCVEGCSA-N 287.407 3.620 30 20 CHED Cc1cc(-c2ccc(N3CCCC3)nc2)cc(C)c1C#N 592987466 VITPIQAINHUMLH-UHFFFAOYSA-N 277.371 3.837 30 20 CHED C[C@@H](CCC#N)N1CCc2ccc(Cl)cc2[C@@H](C)C1 593067078 RTKMVGIVSLJWAB-STQMWFEESA-N 276.811 3.994 30 20 CHED CC(C)(C)c1cccc(C(=O)Nc2cc(CC#N)ccn2)c1 593995184 RYEFBGAOMOOXIA-UHFFFAOYSA-N 293.370 3.697 30 20 CHED CCc1cnccc1-c1noc(CC2(C#N)CCCCC2)n1 596587790 QAORTXFXTFDHQP-UHFFFAOYSA-N 296.374 3.711 30 20 CHED COc1ccc(-c2ccc(C[C@@H](O)C3CC3)cc2)c(C#N)c1 596639357 OSEZVNFJZHCIJJ-LJQANCHMSA-N 293.366 3.547 30 20 CHED N#CCCN(CC1CC1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 597140562 BJGPKBICICFVNH-QAQDUYKDSA-N 288.435 3.745 30 20 CHED N#CC[C@@H]1CCCN(C(=O)CCC2CCCCCC2)C1 597901408 JZGBOSOPPMUGOJ-INIZCTEOSA-N 276.424 3.889 30 20 CHED C=CCCSCCNC(=O)c1ccc(Cl)cc1F 597975117 YLGHXRZJKQZQRH-UHFFFAOYSA-N 287.787 3.518 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)N[C@@](C)(C#N)CC(C)C 599236956 PPRLJPVWBYWJPE-CRAIPNDOSA-N 286.419 3.618 30 20 CHED C=CCCCCN1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 599583260 QVTBLPUZHDKIEQ-GJZGRUSLSA-N 281.440 3.642 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)CC(C1CCC1)C1CCC1 599634302 BPOAVVFDICTNSH-OAHLLOKOSA-N 276.424 3.647 30 20 CHED COc1cccc(C[C@H]2CCCN2C[C@H](C)CCC#N)c1 602450445 VYROSLFAHNOTPV-NVXWUHKLSA-N 286.419 3.642 30 20 CHED Cc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1C 602494515 PIABMSKWBNIBRX-HNNXBMFYSA-N 272.392 3.814 30 20 CHED CCN(C[C@H](C)CCC#N)[C@H](C)Cc1ccsc1 602624840 OWHKWSXFAXCRKH-ZIAGYGMSSA-N 264.438 3.941 30 20 CHED C[C@H](CCC#N)CNc1cccc2c1OC(C)(C)C2 602647031 SCPWJCBJBADYCJ-GFCCVEGCSA-N 258.365 3.752 30 20 CHED COc1ccc([C@@H](NC[C@H](C)CCC#N)c2ccco2)cc1 602686351 PLTHPBXZANLIQV-RDTXWAMCSA-N 298.386 3.907 30 20 CHED C[C@@H](CCC#N)CNCc1ccnc(-c2ccccc2)c1 602726677 XWFFBSVEMHJKOX-HNNXBMFYSA-N 279.387 3.778 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)C1(C)C 609102425 PESYHSADSYDFEN-ZFWWWQNUSA-N 286.350 3.874 30 20 CHED Cc1ccc(-c2csc(CN[C@@H](C)CC#N)n2)cc1 609449265 RQZNIRDVEJSGLD-LBPRGKRZSA-N 271.389 3.510 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@H]1CCCCC1(C)C 611030160 ZZYSFHROEMKFJZ-ZIAGYGMSSA-N 264.413 3.647 30 20 CHED C[C@H]1CCc2c(sc3ncnc(NCCCC#N)c23)C1 612097106 PSLFMPJEAPBIPE-JTQLQIEISA-N 286.404 3.532 30 20 CHED CCc1nnc(CSCc2ccc(C#N)cc2C)s1 614394693 IUKWTPCJKHBFBM-UHFFFAOYSA-N 289.429 3.714 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)C[C@H](C)c1ccncc1 615926627 XLMSSJAYNJBZGT-AWEZNQCLSA-N 287.407 3.506 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1 617783267 WXUUKCZYESJLGH-DZGCQCFKSA-N 289.444 3.983 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccc(F)cc21 618803175 GZSSXQULQBIEPG-RBUKOAKNSA-N 292.357 3.962 30 20 CHED Cc1cc(C#N)ccc1CSCC(=O)Nc1ccccc1 619691093 XOXIHFIJTHLCMV-UHFFFAOYSA-N 296.395 3.739 30 20 CHED C=CCN(C(=O)c1cc(F)ccc1Cl)C(C)(C)C 622945414 COXXDSDACQKJBP-UHFFFAOYSA-N 269.747 3.906 30 20 CHED C=CCOCc1nc(-c2ccccc2SCC)no1 624694010 VEDPMUFPGNIRME-UHFFFAOYSA-N 276.361 3.551 30 20 CHED C=CCNC(=O)c1ccccc1N[C@H](C)c1ccccc1F 630056020 HESUKBXDWMSNSI-CYBMUJFWSA-N 298.361 3.915 30 20 CHED C=CCC(CC=C)C(=O)NC12CC(c3ccccc3)(C1)C2 641698841 JOQKCURWKOAXGU-UHFFFAOYSA-N 281.399 3.745 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CCC[C@@H](F)C1)c1ccccc1 648440474 VPHAWDCMEUJBDJ-PMPSAXMXSA-N 275.367 3.743 30 20 CHED C=CCCn1cc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)nn1 653578525 PRQBWRBCIHFLFX-HZPDHXFCSA-N 290.455 3.549 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1ccc(C)cn1)c1ccccc1 682771319 MSGHNLZVDQEGHB-MRXNPFEDSA-N 294.398 3.708 30 20 CHED CCC#C[C@@H](C)N1CCC(C(=O)c2ccc(F)cc2)CC1 684002849 ORCRTAMSKQVYSX-CQSZACIVSA-N 287.378 3.522 30 20 CHED C=CC[C@@H](CC)NCc1c(O)cccc1Br 706880672 BNWKOWMRIRTUGY-SNVBAGLBSA-N 284.197 3.599 30 20 CHED C[C@@H](CC(=O)OCc1ccc(C#N)cc1)c1ccccc1F 726842689 MQSZIYAIFRDIKW-ZDUSSCGKSA-N 297.329 3.934 30 20 CHED CCCC[C@@H]1CCCC1=NNc1oc(C)nc1C#N 727255301 NKXDUNRBKBOYBX-LLVKDONJSA-N 260.341 3.613 30 20 CHED Cc1ccc(NN=Cc2ccc(O[C@H](C)C#N)cc2)cc1 727687413 NEFWQYPIVGZYTL-CQSZACIVSA-N 279.343 3.732 30 20 CHED C=CC[C@@H](C)C(C)=NNc1cccc([N+](=O)[O-])c1C 727973521 OZNURXCTWRHRDP-SNVBAGLBSA-N 261.325 3.903 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1ccc(O)c(F)c1 728438490 GIGZLIPJCMCQTQ-QPJJXVBHSA-N 293.297 3.976 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)C=C1CCCCC1 730936574 HYPZEBOWPLOFHX-UHFFFAOYSA-N 285.391 3.944 30 20 CHED CC(C)(C)c1ccc(C=NOCc2noc(C3CC3)n2)cc1 731445437 BXCNFHARUTVILO-UHFFFAOYSA-N 299.374 3.795 30 20 CHED C#CCOc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 733328610 XCRSOJJLBKXZIZ-UHFFFAOYSA-N 295.357 3.617 30 20 CHED Fc1cccc2c1CCC2=NNc1cnnc2ccccc12 733750264 RHQROCCGFGQTQR-UHFFFAOYSA-N 292.317 3.531 30 20 CHED CCC(CC)NN=Cc1ccc(OC)c(Br)c1 734365101 RFWKSJVYAGYGMM-UHFFFAOYSA-N 299.212 3.570 30 20 CHED Clc1ccc(OCCCON=C2CCC2)cc1 735489865 HMKQVNBEILDSGG-UHFFFAOYSA-N 253.729 3.665 30 20 CHED C=CCCCOC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 735531124 XJDXCAIFOUBAQU-LBPRGKRZSA-N 282.767 3.925 30 20 CHED C=CCCCOC(=O)c1ccc(Br)c(F)c1 735532510 MATIKIRXLLVCSX-UHFFFAOYSA-N 287.128 3.711 30 20 CHED C=C(Cl)CNC(=O)c1sccc1-n1c(C)ccc1C 736246838 NWQYYQMARTVAFP-UHFFFAOYSA-N 294.807 3.638 30 20 CHED CCO[C@@H]1CC(=NNc2ccc3ccccc3n2)C1(C)C 736428221 GYPZXLAGOBSYSW-OAHLLOKOSA-N 283.375 3.838 30 20 CHED CCCC[C@H]1CCCC1=NNc1ccc(-c2nn[nH]n2)cc1 736441000 LEAIUJXQCJWRKF-LBPRGKRZSA-N 298.394 3.625 30 20 CHED CCCCCCCCN1CCCN(CC(F)(F)F)CC1 740878664 ROIRXOWQMDVMMZ-UHFFFAOYSA-N 294.405 3.917 30 20 CHED Cc1ccc([C@H](O)C/N=C/c2c(O)ccc3ccccc23)o1 741165029 DPGNAZFWSHWAES-OXNWSPOFSA-N 295.338 3.599 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1c1cccc(C)c1C 743620245 GDEBHEIRNQWRQQ-OAHLLOKOSA-N 292.810 3.902 30 20 CHED CC(C)Cc1ccc(C(=O)OCC2(CC#N)CC2)cc1 744278335 ABLZGJHBCKIBPI-UHFFFAOYSA-N 271.360 3.736 30 20 CHED CC#CCOC(=O)CCOc1ccccc1-c1ccccc1 744705321 MGNQVGWEZNVGTR-UHFFFAOYSA-N 294.350 3.689 30 20 CHED FC(F)(F)c1ccccc1C=NOCc1nccs1 746557465 FAZLUUNFWULPFM-UHFFFAOYSA-N 286.278 3.713 30 20 CHED Cc1cc(C)nc(NN=C2c3cccc(F)c3CC[C@@H]2C)n1 748245783 DFBQYTGATRGFOM-JTQLQIEISA-N 298.365 3.631 30 20 CHED CC(C)C(=NNc1ccc(Cl)c(C(=O)O)c1)C1CC1 750917093 YPKMPCFSIQCLHK-UHFFFAOYSA-N 280.755 3.872 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 750934106 GQRGWVZXCZYOMQ-UHFFFAOYSA-N 276.340 3.748 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1ccc(C)c(C)c1)OCC 755607055 QJLOEVGVQFIJJX-MRXNPFEDSA-N 275.392 3.638 30 20 CHED CCn1nc(C)c(C=NNc2c(C)cc(C)cc2C)c1C 755749896 LHIKUDQZDQFGLM-UHFFFAOYSA-N 284.407 3.891 30 20 CHED Oc1ccc(-c2ccccc2)cc1C=NO[C@@H]1CCCCO1 755821408 MCJHIXNNPZBTRE-GOSISDBHSA-N 297.354 3.936 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(C2SCCCS2)cc1 757006230 CCJWHKHIZRZMEP-LLVKDONJSA-N 293.457 3.860 30 20 CHED O=C(/C=C\c1cc2cc(F)ccc2o1)c1ccc(O)cc1O 757473405 WZQDOJXZQILRBF-HYXAFXHYSA-N 298.269 3.879 30 20 CHED C#CC[C@@H](NC(=O)c1cscc1C)c1ccccc1 757600466 YWQHHFKNSHEFLG-OAHLLOKOSA-N 269.369 3.551 30 20 CHED COc1cc(F)cc(NN=C(C)c2cccc(OC)c2)c1 759210843 VKVRGXSSQQVMQM-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C[C@H](C#N)OC(=O)c1cc2ccccc2cc1OC(F)F 761511381 SRUPRPWLHMYNEP-SECBINFHSA-N 291.253 3.510 30 20 CHED Oc1ccc(Cl)cc1/C=N\[C@@H]1CCC(F)(F)C1 763095079 ACFHRYBHOCAVBJ-SMUOPJFFSA-N 259.683 3.652 30 20 CHED C[C@@H](C=NNc1cncc(Cl)n1)c1cccc(Cl)c1 763354590 SGFRGCRWOYZTRN-VIFPVBQESA-N 295.173 3.985 30 20 CHED C(=NNCc1cnc2ccccc2c1)C1CCCCC1 764789282 PROOEMBUKAJXKV-UHFFFAOYSA-N 267.376 3.891 30 20 CHED C(/C=C/c1ccccc1)=NNc1ncnc2ccsc12 764840515 JNFZIQSNLCHPGL-VRSGUTFOSA-N 280.356 3.802 30 20 CHED CC1CC(C#N)(C(=O)O[C@H](C)c2ccc(F)cc2F)C1 767431817 STWDKMRGOSUIPW-KGXJWFGYSA-N 279.286 3.509 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H]2CCC[C@H](C)C2)o1 768366220 ZQUXOQRAVDIKAV-RYUDHWBXSA-N 274.368 3.894 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccccc1CC#N 768537235 OUJSTPHAOUPTHX-UHFFFAOYSA-N 284.359 3.630 30 20 CHED C#C[C@H](C)N(C)Cc1nc(-c2c(F)cccc2F)cs1 769962110 RNGOEDSSLJXUCO-JTQLQIEISA-N 292.354 3.542 30 20 CHED C#CCOc1ccc(CNc2ccc3ncsc3c2)cc1 770529247 QVGBBSRYCZQDGN-UHFFFAOYSA-N 294.379 3.920 30 20 CHED C#CCCc1noc(/C=C(\CC)c2ccc(C)cc2)n1 770877322 ZJMLEPIDEBGVDL-WYMLVPIESA-N 266.344 3.894 30 20 CHED CCCCOc1ccc(C(=O)O[C@H](C#N)CC)c(Cl)c1 770887632 FQFFQGSFKYTNNM-NSHDSACASA-N 295.766 3.978 30 20 CHED CC(=NNCC(C)C)c1ccc(Cl)c(Cl)c1O 771568348 ZDOZNICLEZTHTJ-UHFFFAOYSA-N 275.179 3.669 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2cccnc2)cs1 771743427 FSDWNBBAJUJMQL-WAYWQWQTSA-N 258.346 3.558 30 20 CHED Fc1ccccc1NN=Cc1cscc1Cl 771877269 NJQRMKGHOSWUFF-UHFFFAOYSA-N 254.717 3.987 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1(F)CCCC1 772009395 IERJUYWSFMBSEA-UHFFFAOYSA-N 288.366 3.578 30 20 CHED CCCCCCCCNC(=O)N1CCC(C)(COC)CC1 773643882 NQMXPLYTRKUNPX-UHFFFAOYSA-N 298.471 3.805 30 20 CHED Clc1ccc(C=NN[C@@H]2C[C@H]3CC[C@H]2C3)s1 774598024 VOASFBJYPVORLH-ATZCPNFKSA-N 254.786 3.514 30 20 CHED CCCCC[C@@H](CC)C(=O)N[C@H](C#N)CC(C)C 775695588 NYLOHAFBPCYHTM-KGLIPLIRSA-N 252.402 3.647 30 20 CHED C[C@H](C(=O)O[C@H](C#N)C1CCCCC1)c1ccccc1F 776386539 VIZLGOOBDCQMOX-BLLLJJGKSA-N 289.350 3.945 30 20 CHED CC(C(=O)O[C@H](C#N)C1CCCCC1)=C1CCCC1 776393088 YSGVZCUQBSAECI-OAHLLOKOSA-N 261.365 3.893 30 20 CHED Oc1cccc(/C=N\Cc2ccc(Cl)cc2F)c1O 777402559 ZTZUZTRCIBFYGO-IUXPMGMMSA-N 279.698 3.509 30 20 CHED COC[C@H](C)C(C)=NNc1nc2ccccc2cc1C 777890930 XDCXVWZXQXZFCH-LBPRGKRZSA-N 271.364 3.614 30 20 CHED COC[C@H](C)NN=C1C[C@H](C)C[C@@H](c2ccccc2)C1 777901466 LTSWRBZBPWTOBX-IJEWVQPXSA-N 274.408 3.571 30 20 CHED C=C(Cl)COC(=O)CCCCC(=O)c1ccc(F)cc1 778569233 IFQUFBKALPKNTQ-UHFFFAOYSA-N 298.741 3.865 30 20 CHED C#CCCCCCC(=O)N[C@H](CC)c1ccccc1OC 779840708 XGNWHAOYTWVRFE-MRXNPFEDSA-N 287.403 3.846 30 20 CHED C[C@H](C(=O)Nc1ccccc1O[C@H](C)C#N)C1CCCC1 780148332 KILFJFHMUMYVHG-OLZOCXBDSA-N 286.375 3.742 30 20 CHED C[C@H](C=NN1Cc2ccccc2C1=O)c1ccc(F)cc1 781597344 PWHCAWHDXOAXDP-GFCCVEGCSA-N 282.318 3.571 30 20 CHED FC(F)(F)c1ccccc1NN=C[C@@H]1CCSC1 782111220 NXPKWEAIDKUREF-VIFPVBQESA-N 274.311 3.856 30 20 CHED Cn1cnc2cc(/C=C/C(=O)c3ccnc(Cl)c3)ccc21 782192646 AFJQIHRZLKHWFW-HWKANZROSA-N 297.745 3.518 30 20 CHED CCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1F 782302536 QCLKDLVYSJRULY-UHFFFAOYSA-N 296.297 3.687 30 20 CHED C=CC[C@@H](C)N[C@H](c1ccccc1)C1CCOCC1 782773489 WEVBGCLKITXLSS-RHSMWYFYSA-N 259.393 3.709 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(-c2ccccc2)no1 782939199 BARZXORHBLHLFR-UHFFFAOYSA-N 298.342 3.828 30 20 CHED Cc1cc(F)ccc1COC(=O)c1ccc(CC#N)cc1 784264567 PEEZNJDNJGTFEE-UHFFFAOYSA-N 283.302 3.557 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@]1(CC)CO 784724590 RPJYMRDSNUBERY-KRWDZBQOSA-N 283.456 3.891 30 20 CHED CCCCCCCCc1nnc(NC(=O)C(F)F)s1 787137352 KMWGYIHHJXWKGU-UHFFFAOYSA-N 291.367 3.645 30 20 CHED Fc1ccc(F)c(CNN=C2CCC3(CCCO3)CC2)c1 788016375 SXLBKKAGKINPDF-UHFFFAOYSA-N 294.345 3.534 30 20 CHED Fc1cccc(Cl)c1NN=CCC1CCOCC1 788722759 DLIVHMWWYGKEPJ-UHFFFAOYSA-N 270.735 3.694 30 20 CHED Cc1ccc2nc(C=NNc3c(C)cccc3F)cn2c1 789051137 QFMCDUMRUAKSTH-UHFFFAOYSA-N 282.322 3.536 30 20 CHED CC(=C/c1ccccc1)/C=C/C(=O)c1cc(C)nn1C 789158860 ILXXRYWBLHBRGT-LTCRFSFDSA-N 266.344 3.571 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1ccnc(O)c1 790287369 QKNCTOWXUCJEMZ-UHFFFAOYSA-N 281.359 3.502 30 20 CHED C[C@@H](NC(=S)Nc1ccsc1)c1ccc(C#N)cc1 790302749 KLWWHLONSFTXEK-SNVBAGLBSA-N 287.413 3.667 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@@](C)(OC)C1 792147066 FNQIQCAPCGAFKV-MRXNPFEDSA-N 284.444 3.557 30 20 CHED CC[C@H](C)CON=Cc1ccc(F)c(C#N)c1Cl 793144533 DKHRHEZJSLDZSE-VIFPVBQESA-N 268.719 3.747 30 20 CHED Oc1ccc(Cl)cc1/C=N\CC1CC(F)(F)C1 793654979 NKIINGWPRSCNMF-APSNUPSMSA-N 259.683 3.510 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2cc(C)ccc2C)[C@@H]1C 794478969 BUWCRFQFPZHHRE-KGLIPLIRSA-N 288.391 3.681 30 20 CHED Cc1ccccc1NC(=S)NN=C1CCC[C@H]1CCF 794864920 FOIVUKAVEUBZKC-LBPRGKRZSA-N 293.411 3.797 30 20 CHED C#CCCCCCC(=O)NCc1cccc(SCC)c1 794911214 WJEOSVFZMRLTTK-UHFFFAOYSA-N 289.444 3.999 30 20 CHED FCCCCON=Cc1ccccc1Br 795200507 LYUQCESMYGUTTA-UHFFFAOYSA-N 274.133 3.549 30 20 CHED C=C(C)COc1ccc(CNC(=O)OC(C)(C)C)cc1 795233933 YQTZZZVFBOIICZ-UHFFFAOYSA-N 277.364 3.666 30 20 CHED C=CCC(C)(C)C(=O)OCCc1ccccc1F 796463055 KSAKUWRXTZOJBY-UHFFFAOYSA-N 250.313 3.514 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cccc(C#N)c1 798370803 YDRXYSKRPLQFTA-BQYQJAHWSA-N 279.343 3.540 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C\c1cnc(C(C)(C)C)s1 798554951 VUYKDAIWZCKNPH-PRDAAYKISA-N 292.448 3.925 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@H](OC)C[C@@H]1C 799528883 KWJOEXXEBJDMIE-HOTGVXAUSA-N 298.471 3.946 30 20 CHED Cc1ccc(-c2nc(Cc3ccccc3)no2)cc1C#N 799760681 MUCFQMSWUDXTQT-UHFFFAOYSA-N 275.311 3.508 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NCCO[C@@H](C)C#N 801937412 MHZBSOGUPZOJBD-RDJZCZTQSA-N 274.408 3.601 30 20 CHED CC[C@H](C)CCC(=O)OCc1ccc(C#N)cc1F 803881011 PKIHIWOUCFWLNX-NSHDSACASA-N 263.312 3.567 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(CC)c(Cl)c2)cn1 804649309 WGTVIKSYENFWNG-UHFFFAOYSA-N 284.746 3.531 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CC(=O)c2ccccc21 805220345 MXGUHHXMDIHVFI-INIZCTEOSA-N 285.387 3.609 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1c(CC)cc(C)cc1CC 806506341 PUWKSWWBBPRWIX-HNNXBMFYSA-N 272.392 3.653 30 20 CHED CC[C@@H]1CCC1=NNc1ncnc2c1oc1ccccc12 807959445 SWVNWFASOYLYOV-SNVBAGLBSA-N 280.331 3.964 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C(C(C)C)C1CC1 807991608 PYNOYYUSNKYRLH-UHFFFAOYSA-N 261.325 3.737 30 20 CHED CC1CCC(=NNc2nccnc2C2CCC2)CC1 807993090 TYOIHUVOKOPYHN-UHFFFAOYSA-N 258.369 3.722 30 20 CHED CC(C)c1ccc(C=NOCCOC2CCC2)cc1 808245027 GCDNRKQJTITLBZ-UHFFFAOYSA-N 261.365 3.730 30 20 CHED C=C(C)COCCN[C@H](C)c1cc(Cl)cc(C)c1O 808706619 PIBHMZNDVHSNKN-GFCCVEGCSA-N 283.799 3.597 30 20 CHED CC[C@@H](CSC)N(C)Cc1ccc(O[C@H](C)C#N)cc1 809767001 DIQNKYUPYUHCCF-HIFRSBDPSA-N 292.448 3.551 30 20 CHED C#C[C@H](NC/C(C)=C\c1ccccc1OC(F)F)C(C)C 811505071 CMAVIZXKJKOJAX-WVUXNXBLSA-N 293.357 3.939 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1ccc(Cl)nc1 811692794 IDRPSFGJIAGFFO-GQCTYLIASA-N 286.693 3.642 30 20 CHED C#C[C@@H](NC(=O)c1occ2c1CCC2)c1ccc(Cl)cc1 811947954 TVZHWLQPTDMJKN-OAHLLOKOSA-N 299.757 3.526 30 20 CHED C#C[C@@H](C)N(C)C(=O)NC1CCC2(CCCCC2)CC1 812204175 ZBQYBAWNCJGXHP-CQSZACIVSA-N 276.424 3.543 30 20 CHED CC(C)(C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)C1CC1 813218179 SQFDDPNDTTXYFK-LLVKDONJSA-N 296.292 3.713 30 20 CHED Cc1sc2ncnc(NN=C3CCS[C@@H]3C)c2c1C 814726205 KTQGHNOWURWWJY-SECBINFHSA-N 292.433 3.601 30 20 CHED CCC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccco1 814823235 TXDJXIMQUCGIMC-UHFFFAOYSA-N 273.292 3.722 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](CCC)c1ccccc1 814869771 CSXWXRNKKXZDBK-ZDUSSCGKSA-N 267.319 3.855 30 20 CHED CCCC(=NNc1ccc(OC)cc1)c1ccccn1 814885191 QPRGYDJUSOHDJL-UHFFFAOYSA-N 269.348 3.707 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1cccc(C2CC2)c1 814908041 GJLKVMOATRTZOC-QGZVFWFLSA-N 286.419 3.835 30 20 CHED CC(C)(C)c1cnc(C=NOCCC(F)(F)F)s1 814908932 CNPQZLVCMWVTEC-UHFFFAOYSA-N 280.315 3.744 30 20 CHED CCC(=NN[C@@H]1CCCC1(C)C)c1ccc(F)cn1 814917710 PELUTYMNVAFKOC-CQSZACIVSA-N 263.360 3.503 30 20 CHED CC[C@H](C)CON=C1Cc2[nH]c3ccccc3c2C1 814939546 VDDHGMFJTPIDJR-NSHDSACASA-N 256.349 3.685 30 20 CHED C#CCn1ccc(CN(CC)C[C@H](C)C2CCCCC2)n1 815102909 MKZAYVDYSUJMCJ-INIZCTEOSA-N 287.451 3.555 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 816575781 ZBOZQUZKBQFRSE-CQSZACIVSA-N 277.795 3.526 30 20 CHED C#CC[C@H](N[C@H]1CCc2cccnc2CC1)c1ccccc1 817580016 GKJRITYIVRRFOV-ICSRJNTNSA-N 290.410 3.683 30 20 CHED C#CCCCCCC(=O)N1CC(C2CCCCC2)C1 819006456 ZGVCFDYPKSYUCH-UHFFFAOYSA-N 261.409 3.609 30 20 CHED C=CC[C@H](CC)NC[C@H](O)c1ccccc1C(F)(F)F 819283356 JKYHTSCYGIAPFE-FZMZJTMJSA-N 287.325 3.683 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@H]1CC[C@H](C#N)C1 819633437 HGDQPYKQZASASO-FZOXRXHISA-N 288.778 3.552 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@@H]2CCCC2(F)F)cc1 824799529 OHVFKFLUOURORK-JSGCOSHPSA-N 294.345 3.502 30 20 CHED CC1(C)CN(C(=O)C#Cc2cccs2)[C@@H]1c1ccccc1 825393619 ILLBUGKAUPRGGE-QGZVFWFLSA-N 295.407 3.709 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccncc1 825859046 OVVVONDLONLVCL-WTTBNOFXSA-N 286.419 3.887 30 20 CHED Fc1ccc(NN=C2CCc3ccccc3CC2)nc1 834957086 SNBHLQGIQSBECU-UHFFFAOYSA-N 269.323 3.568 30 20 CHED COc1ccc(CCNN=C(C)CC(C)(C)C)cc1 834958868 GWNRZLOHIJVBLU-UHFFFAOYSA-N 262.397 3.639 30 20 CHED FC(F)(F)CON=C1CCc2ccccc2CC1 834965731 UKYBSCSPCFIODB-UHFFFAOYSA-N 257.255 3.500 30 20 CHED CC(C)Oc1c(F)cc(NC(=O)C#CC(C)(C)C)cc1F 837524319 QHLXLDXFQCEHHQ-UHFFFAOYSA-N 295.329 3.740 30 20 CHED CC(C)(C)C#CC(=O)N1CCC(c2ccsc2)CC1 837543579 SLBYWSCGRANKOG-UHFFFAOYSA-N 275.417 3.504 30 20 CHED C[C@@]1(COC(=O)CCCCCC#N)CC1(Cl)Cl 837731112 YYPCAUXZBVHBOH-NSHDSACASA-N 278.179 3.588 30 20 CHED CCCCC[C@@H](C(=O)NCC(C)(C)CC#N)C(C)C 837888636 LCVQPKMAUGRQOX-CQSZACIVSA-N 266.429 3.895 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H]1CCSc2ccccc21 839039540 QLOPFMTWABULAG-GXTWGEPZSA-N 274.385 3.611 30 20 CHED CC(C)CC1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCC1 839053707 KDMRYPHYUCJYPL-ZIAGYGMSSA-N 263.381 3.828 30 20 CHED CC(C)(C)SCCCC(=O)O[C@H]1CCC[C@H](C#N)C1 839054878 MFAJVIBZQGNMCH-STQMWFEESA-N 283.437 3.924 30 20 CHED CCCCCCO[C@H](C)C(=O)[C@@H](C#N)c1nc(C)cs1 842281430 LSJSFHGJZPTNHX-CHWSQXEVSA-N 294.420 3.613 30 20 CHED C#CCCCCCC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842941461 PYOZMKLCSCVGAC-ZDUSSCGKSA-N 286.400 3.780 30 20 CHED COc1ccc(-c2ccnc(Cl)c2)cc1C1(C#N)CC1 844228165 YVUFMMSXEJEQJJ-UHFFFAOYSA-N 284.746 3.966 30 20 CHED C#CCCCC(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 844842054 ZVCOCAOGIJSQPO-ZDUSSCGKSA-N 289.806 3.632 30 20 CHED CCCCC[C@H](NC(=O)[C@@H](C#N)CC)C(C)(C)C 845529040 QVYONJOAZFPKRM-OLZOCXBDSA-N 252.402 3.647 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)[C@@H](C)c1ccccc1Cl 845639945 UCHMPPKSFZRHCL-MNOVXSKESA-N 282.771 3.549 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)n1 850736803 NJZXQXHJHVGHIH-RQJABVFESA-N 288.416 3.844 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1cccc(C)n1 851142715 WYVHUFXRSIDYGR-DZGCQCFKSA-N 259.349 3.682 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(OC(F)F)cc1 851213030 CKABKIUZMDFQLJ-JTQLQIEISA-N 297.301 3.773 30 20 CHED Fc1cccc(F)c1-c1nc(CON=CC2CC2)co1 853735533 VZMYIXQNDVXGJR-UHFFFAOYSA-N 278.258 3.532 30 20 CHED CC[C@@H](C)N(CC)C(=O)Nc1cc(C#N)cn1C(C)(C)C 853813678 YNAOEWNMKJUZJS-GFCCVEGCSA-N 290.411 3.767 30 20 CHED C/C(=C\C(=O)N(C1CC1)[C@H](C)C#N)c1ccccc1Cl 855583865 KBJKQSYKANAOIV-LMMOQWNQSA-N 288.778 3.646 30 20 CHED CC(=NNc1ncc(Cl)cn1)[C@@H]1CCCC[C@H]1C 857221168 SJWVKIMNMBOSEM-BXKDBHETSA-N 266.776 3.744 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C/c1ccc(SC)s1 859442275 JENFSLYXCYXIEV-QEHWCHDUSA-N 267.419 3.564 30 20 CHED Cc1cc(COC(=O)C[C@@H](C)c2ccco2)ccc1C#N 859812132 IXQDIVXLMMDNIT-CYBMUJFWSA-N 283.327 3.697 30 20 CHED CCC(C#N)(CC)C(=O)OCCCc1ccc(F)cc1 860553239 BKFMMRQQKNBHAZ-UHFFFAOYSA-N 277.339 3.631 30 20 CHED CCCCCCCNC(=O)[C@H]1CCCc2cccnc21 862357188 PLRUCXNAFPFCBE-HNNXBMFYSA-N 274.408 3.588 30 20 CHED CCCCCCCNC(=O)c1cc(C(C)=O)c(C)nc1C 862357229 QJSJWBYBUPPDMS-UHFFFAOYSA-N 290.407 3.601 30 20 CHED C[C@H](CCC#N)CNC[C@H](O)c1ccc(C(C)(C)C)cc1 877039903 QXNDUODFEVEFJN-PBHICJAKSA-N 288.435 3.547 30 20 CHED N#CCN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccccn1 892477335 RWWARGMTEFQURE-BZUAXINKSA-N 297.402 3.545 30 20 CHED C=C(C)CCNCc1nc(-c2cccc(OC)c2)cs1 894712824 VYYMZEBRXHPSJZ-UHFFFAOYSA-N 288.416 3.875 30 20 CHED CC(C)Oc1ccc(/C=C\C(=O)c2cc3n(n2)CCC3)cc1 901560379 DWHFDIQFFKHSDO-YFHOEESVSA-N 296.370 3.513 30 20 CHED C=CCC[C@H](NC[C@@H](C)CC1CCCCC1)C(=O)O 901691348 WPBHDSYQDIPXNS-ZFWWWQNUSA-N 267.413 3.602 30 20 CHED C=CCC[C@H](N[C@H]1CC[C@@](C)(c2ccccc2)C1)C(=O)O 901692005 HDLSSNZPTVOOKK-XYJFISCASA-N 287.403 3.506 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)c1ncc(C(=O)O)s1 901913610 ZVFUCBBGPUYJRT-WDEREUQCSA-N 282.409 3.627 30 20 CHED CC(C)C[C@H](NCC(C)(C)C#N)c1cccs1 903100759 WZRRQJXAWZPBRO-LBPRGKRZSA-N 250.411 3.975 30 20 CHED CCn1cc(C=NNc2cncc(Cl)n2)c2ccccc21 915051270 ZUHKMXGWPSGNGP-UHFFFAOYSA-N 299.765 3.551 30 20 CHED CCc1ccccc1NN=Cc1ccc(NC(C)=O)cc1 915051786 RSXXOVDOSCXYHI-UHFFFAOYSA-N 281.359 3.653 30 20 CHED CC(=NNc1ccc(F)cc1)c1cc(F)ccc1F 916268065 HROZOAXIWFXZRD-UHFFFAOYSA-N 264.250 3.940 30 20 CHED Cc1ccc(C)c(NN=Cc2ccc(N(C)C)cc2)c1 916346114 VQRULCFKLLMMQN-UHFFFAOYSA-N 267.376 3.815 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCC#N 916742587 BAPVCQCEABJLDA-DOTOQJQBSA-N 299.418 3.658 30 20 CHED C=CCN(C(=O)Nc1nc2ccccc2s1)C(C)C 918000551 XXQJRTJBFLZHEF-UHFFFAOYSA-N 275.377 3.725 30 20 CHED CCCCCCCCCNC(=O)N(C)Cc1ccccn1 920041849 MVXBNOJZDSKFSN-UHFFFAOYSA-N 291.439 3.974 30 20 CHED CCOc1cccc(/C=C\C(=O)c2c(C)nn(CC)c2C)c1 920927829 SNNOSHFSEFRLPH-KHPPLWFESA-N 298.386 3.815 30 20 CHED C[C@H](N[C@H](C)c1cccc2c1OCO2)c1ccc(C#N)cc1 924784575 FVWRKVHBISHVTM-QWHCGFSZSA-N 294.354 3.699 30 20 CHED C/C(=C\C(=O)N1CCC[C@H](C#N)C1)c1ccccc1Cl 928225036 WLJNEHFDSBBDBL-CNELAYHGSA-N 288.778 3.505 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCc2sccc2C1 932220370 LRFWPBGJRKNJRM-GFCCVEGCSA-N 263.406 3.625 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1ccc2c(C)cc(=O)oc2c1 935977999 PXFNMCRDZMMNGV-CYBMUJFWSA-N 299.370 3.667 30 20 CHED CC(C)(C)ON=C1CCCC[C@H]1N1CCCCC1 1116404784 NPAHOIPQAHUKHC-CQSZACIVSA-N 252.402 3.586 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1c1cccc(CC#N)n1 1116636610 QWNVOCKVUTULGO-UKRRQHHQSA-N 257.381 3.553 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1116926077 LPJFBJVKNNDMLC-ZDUSSCGKSA-N 290.322 3.656 30 20 CHED C=C(CC)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 1123565761 FFPXUHBABRNKBA-CQSZACIVSA-N 265.303 3.595 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](CC)CC(F)(F)F 1123625172 QGDHGUTVDPCBMG-NWDGAFQWSA-N 292.345 3.858 30 20 CHED COc1ccc(CN(C)Cc2ccc(C#N)cc2)c(C)c1 1140678152 RLVDHTQDHQCZSY-UHFFFAOYSA-N 280.371 3.507 30 20 CHED CCC1(CC)CN(c2cccc(F)c2C#N)CCS1 1163000936 QVKFFOZFWARMIW-UHFFFAOYSA-N 278.396 3.809 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CC[C@H](Cc3ccccc3)C2)C1 1182498451 IQUBLRWFILIFIZ-VSZNYVQBSA-N 268.404 3.680 30 20 CHED N#Cc1cncnc1N1Cc2ccccc2-c2ccccc2C1 1185157715 IDYPADUHVDBFAT-UHFFFAOYSA-N 298.349 3.535 30 20 CHED CC1(CCC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 1264743724 SGOZDBXWBBKKHA-UHFFFAOYSA-N 273.380 3.634 30 20 CHED CC(C)NC(=S)NN=Cc1ccc(-c2ccccc2)cc1 1318440862 HQDICLWJLOFSDO-UHFFFAOYSA-N 297.427 3.560 30 20 CHED CN(Cc1cc(F)cc(F)c1)Cc1ccc(C#N)s1 1321023844 FPGAVIXHMZGHLR-UHFFFAOYSA-N 278.327 3.530 30 20 CHED N#CC1(c2nnc(-c3cc4c(s3)CCC4)o2)CCCC1 1322144835 DCJSNGUABQLUJS-UHFFFAOYSA-N 285.372 3.622 30 20 CHED C=CCOc1ccccc1CNCc1cccn1C1CC1 1326429128 CLTBTWDRNJOJCN-UHFFFAOYSA-N 282.387 3.678 30 20 CHED CC[C@H](Nc1nc(C)cc(C)c1C#N)c1c(C)noc1C 1336425277 CZKPCYOJJDWRAG-AWEZNQCLSA-N 284.363 3.738 30 20 CHED Cc1cc(C[C@H](C)Nc2cccc(C(F)F)c2C#N)n[nH]1 1337901066 COQSMMKKLDWJPX-VIFPVBQESA-N 290.317 3.571 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C12CCC(CC1)CC2 1338961944 YJJLEHBTERQDKT-KZGIRGLMSA-N 294.398 3.632 30 20 CHED C[C@H](CC#N)N(C)C(=O)C1(c2cccs2)CCCCC1 1339162091 QWDRLWHGWFCRQK-CYBMUJFWSA-N 290.432 3.711 30 20 CHED C=CCCC[C@@H](N)C(=O)Nc1cccc(CSCC)c1 1340092976 HLTCUZNXQCZMBJ-OAHLLOKOSA-N 292.448 3.562 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@@H](c1ccccc1C)C(C)C 1341059581 DFHYDHQPEQDEKY-GOSISDBHSA-N 298.430 3.747 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[C@@H](SC)C1 1341797822 XNBWLOLMQUAVCZ-BFHYXJOUSA-N 284.469 3.657 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2ccc(C(F)F)cc2F)C1 1342711671 SGRFDUHKJNJLNJ-PSASIEDQSA-N 283.249 3.612 30 20 CHED CCOc1cccc(/C=C\c2cc(C#N)ccn2)c1 1344339146 SLEUPNZQGFGUDG-SREVYHEPSA-N 250.301 3.522 30 20 CHED C[C@@H]1C[C@H](Nc2nccnc2C#N)C[C@@H](c2ccccc2)C1 1458428921 BYURVLRCENGMQN-BPUTZDHNSA-N 292.386 3.733 30 20 CHED N#Cc1cc(=N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc[nH]1 1458440177 WCOYPHAYKJNDKX-UKRRQHHQSA-N 297.789 3.777 30 20 CHED CCc1cccc(COc2ccc(C#N)c(OC)c2)c1 1459050682 IZHQYIRKRMOUIN-UHFFFAOYSA-N 267.328 3.708 30 20 CHED N#Cc1c(F)cccc1CN1CC[C@@H](C2CCCC2)C1 1474588439 KJBGSDUVDJSOCV-CQSZACIVSA-N 272.367 3.709 30 20 CHED N#Cc1cc(F)cc(NC(=O)N[C@@H]2CC23CCCCC3)c1 1476983004 WFKZHEAIEHLKSD-CQSZACIVSA-N 287.338 3.542 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(Cl)cc1Cl 1518562572 JHUVOKCLEBZVCJ-JTQLQIEISA-N 285.174 3.758 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)c2ccsc2C#N)C1 1585135220 NVPROIHIRKJDLC-SRVKXCTJSA-N 276.405 3.564 30 20 CHED C=C[C@@H](SCc1ccc(C(C)C)cc1)C(=O)O 1588714829 OPGAAPFGOKLREK-CYBMUJFWSA-N 250.363 3.682 30 20 CHED CC[C@H](Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)O 1605105553 BRZGRVJNJBKLQL-IRXDYDNUSA-N 294.354 3.617 30 20 CHED O=C(O)c1cccc(NCC#Cc2ccccc2)c1Cl 1610847958 VZNVOGNPQGUBLS-UHFFFAOYSA-N 285.730 3.502 30 20 CHED CCCN(CCc1cccc(F)c1)Cc1cccc(C#N)n1 1621164342 YFOWHFSOIKLVFE-UHFFFAOYSA-N 297.377 3.547 30 20 CHED C[C@@H](Nc1cncc(C#N)n1)C1(c2ccccc2)CCCC1 1639796067 WAAGRBJXYOWNLF-CQSZACIVSA-N 292.386 3.661 30 20 CHED N#Cc1ccc(SCC(=O)[C@H](C#N)c2ccccc2)cc1 1640865767 IZTFSZHMBGVSFM-MRXNPFEDSA-N 292.363 3.527 30 20 CHED Cc1ccccc1SC[C@@H](C)CN1CC(C)(C#N)C1 1642930596 QQXFHUAKGGLQEC-ZDUSSCGKSA-N 274.433 3.569 30 20 CHED CCCOc1ccc(Nc2ccc(C#N)cn2)cc1C 1651299147 NMKDOEZWLKGHKO-UHFFFAOYSA-N 267.332 3.794 30 20 CHED C[C@@H]1CC[C@H](c2ccccc2)N(c2ccnc(C#N)c2)C1 1651835616 INCAQKOXTFBBHN-RDTXWAMCSA-N 277.371 3.931 30 20 CHED CN(c1nc(C#N)c(Cl)s1)[C@H]1CCC(C)(C)C1 1655443715 TZMXZXGBYOBBQO-QMMMGPOBSA-N 269.801 3.683 30 20 CHED CCc1ccc2c(c1)CCN2Cc1ccc(OCC#N)cc1 1656460716 GEJFAUIKCHQFJV-UHFFFAOYSA-N 292.382 3.714 30 20 CHED CCc1cccc(N(C)C(=O)Nc2cc(C#N)ccc2F)c1 1678269602 HBUKEMMTWZNPSX-UHFFFAOYSA-N 297.333 3.928 30 20 CHED CCc1cccc(C=NNc2ccc(F)c(C(=O)O)c2)c1 1776063885 NPJFEIMNCRDHDV-UHFFFAOYSA-N 286.306 3.532 30 20 CHED C=C(C)C[C@H](NCc1ccc([C@@H](C)CC)cc1)C(=O)O 1776137597 XTLBSDHOMHRHEB-BBRMVZONSA-N 275.392 3.709 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2ccc(C3CC3)cc2)C1 1776155478 NOZIJQBCEDAYCY-LJQANCHMSA-N 299.414 3.807 30 20 CHED C=CCCCCN(C)Cc1ccc(C2(C(=O)O)CC2)cc1 1776174945 KUVBGCZQIRYCHZ-UHFFFAOYSA-N 287.403 3.591 30 20 CHED C[C@@H]1C/C(=C\c2ccc(C(=O)O)nc2)C(=O)c2ccccc21 1776589665 QRKMCHFPTCBGGJ-VSXLWIIGSA-N 293.322 3.553 30 20 CHED CSc1ccc(COC(=O)c2ccc(C#N)cc2)cc1 3474687 AKWFMUHAZIDHLZ-UHFFFAOYSA-N 283.352 3.637 30 20 CHED N#Cc1ccc(OC(=O)CCc2c[nH]c3ccccc23)cc1 6211890 XIQGEVUXDRDAJE-UHFFFAOYSA-N 290.322 3.578 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1[N+](=O)[O-] 7718034 DUQPVQRPFQYDGA-RUDMXATFSA-N 283.283 3.505 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(C)c2)cc(OC)c1O 23164362 CFKXKLLDIMCXEK-BQYQJAHWSA-N 298.338 3.614 30 20 CHED CCOc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 37679617 SDZCLKNQTQJRAC-CQSZACIVSA-N 280.371 3.808 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 42105424 NCWHXHBZQCDALY-UHFFFAOYSA-N 276.339 3.746 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc(C#N)cc1 45026991 ZHSFXBFJSKXQOR-CYBMUJFWSA-N 279.343 3.749 30 20 CHED N#Cc1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc1 49918436 STXUJQMCVOOASY-UHFFFAOYSA-N 274.663 3.912 30 20 CHED Cc1cccc(N(C)Cc2cc(C#N)ccc2F)c1 49986555 SVJDNUZDKJORJY-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C[C@@H](c1ccccc1F)N(C)Cc1ccc(C#N)cc1 52073415 HDXWWTQSSAFQEH-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C=C(C)CN(CC)C(=O)CCC(=O)c1cc(C)sc1C 60783735 BVDYFTPOEBCVSJ-UHFFFAOYSA-N 293.432 3.752 30 20 CHED CCN(CCOc1ccc2ccccc2c1)C[C@@H](C)C#N 64248611 VWXFZDHAPXRUQK-HNNXBMFYSA-N 282.387 3.700 30 20 CHED N#Cc1ccc(CC(=O)Nc2ccc(Cl)c(F)c2)cc1 70158851 SDCRARXRPUPJMQ-UHFFFAOYSA-N 288.709 3.532 30 20 CHED Cc1cc(C)cc(CSc2cc(C#N)ccn2)c1 71918395 HHEPWQSMSONZGT-UHFFFAOYSA-N 254.358 3.862 30 20 CHED O=C(/C=C/c1ccccc1Cl)c1ccc(O)cc1O 73239842 HUJPOSGMEWSBGX-VMPITWQZSA-N 274.703 3.647 30 20 CHED CN(Cc1cc2ccccc2o1)C(=O)c1cccc(C#N)c1 74854488 ZDKFCILFVRXFBD-UHFFFAOYSA-N 290.322 3.577 30 20 CHED N#Cc1ccnc(SCC(=O)c2ccc(Cl)s2)c1 77907473 GGBUBUCHELHWDV-UHFFFAOYSA-N 294.788 3.643 30 20 CHED Cc1ccc(C[C@H](C)NC(=O)C2(C#N)CCCCC2)s1 78003771 UBHVTHMIRRUVCB-LBPRGKRZSA-N 290.432 3.578 30 20 CHED C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 78973476 ACMADGUEAKTLBR-CHWSQXEVSA-N 295.342 3.878 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 79720626 IIBYVIJKXSYFDR-KRWDZBQOSA-N 295.342 3.707 30 20 CHED CCCCC1CCC(C(=O)N2CCC[C@@H](C#N)C2)CC1 79825916 AHAUEIWIKNWZKJ-PCKAHOCUSA-N 276.424 3.745 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C#N)o1 80339507 KBRRIUUURYORTA-DIFFPNOSSA-N 284.334 3.704 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(SC)c(Cl)c1 81093044 RFVVZQFCZLAGPM-SNVBAGLBSA-N 299.823 3.982 30 20 CHED CC(C)CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191890 WWTUNPAPXZGTSA-UHFFFAOYSA-N 284.281 3.952 30 20 CHED COCCOc1ccc(F)cc1NCC(C)(C)CCC#N 92159402 BZSHIVGYZBGPEP-UHFFFAOYSA-N 294.370 3.593 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N(C)CCC#N 115344240 ADLVEKUVERFXSR-HNNXBMFYSA-N 264.413 3.601 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C/c2cc(C)ccc2F)c1 116608805 OTKJCOVYZYVNLT-VQHVLOKHSA-N 297.329 3.989 30 20 CHED Cc1cccc(CCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 116812198 WDMIGYVKPVQMEF-QAPCUYQASA-N 284.403 3.516 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H](C)c2ccc(C#N)cc2)n1 118175027 DAKSKHVEEDTBIK-NSHDSACASA-N 294.383 3.690 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCCc3sccc32)c1 120553192 IQUHRZFWUKSWBA-OAHLLOKOSA-N 296.395 3.929 30 20 CHED C=CCCOCCNCc1ccc(F)c(C(F)(F)F)c1 120833126 WTXOVCKPVQWKLF-UHFFFAOYSA-N 291.288 3.527 30 20 CHED C=CCC[C@H](N[C@H](C)C[C@H](O)c1ccc(F)cc1)C1CC1 121020179 ILBWISXXWXJTQQ-BVGQSLNGSA-N 291.410 3.972 30 20 CHED C=CCN(C)Cc1csc(-c2ccccc2F)n1 121435936 JGHLDJHMHAKUFW-UHFFFAOYSA-N 262.353 3.567 30 20 CHED C=CC[C@H](C)NCc1cc(F)cc(Br)c1 122249292 NLNYAVFLCYGVFL-VIFPVBQESA-N 272.161 3.642 30 20 CHED C=C(Cl)CN1CCCCC[C@@H]1C[C@H](O)c1ccco1 125289276 HLLICHYNPFJCQZ-KGLIPLIRSA-N 283.799 3.700 30 20 CHED C=C(C)COCCN[C@H](C)c1ccccc1Cl 125614084 LGYONWPLIKAWIC-GFCCVEGCSA-N 253.773 3.583 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccccc2Cl)o1 127723482 CQBWQVJQXXYLPS-QMMMGPOBSA-N 279.752 3.784 30 20 CHED O=C1/C(=C\c2cc(F)c(F)cc2F)Cc2ccccc21 129886090 PONZGROFOJWSSF-WDZFZDKYSA-N 274.241 3.926 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H]1C1CCCC1 130448280 CXFBFJFAXLNZMF-QGZVFWFLSA-N 284.403 3.721 30 20 CHED C=CCC[C@@H](C)Nc1cnn(Cc2ccccc2)c1 130630063 XZLBVVYYIYQLON-CQSZACIVSA-N 255.365 3.698 30 20 CHED CCn1cc(/C=C/C(=O)c2cc3c(s2)CCCC3)cn1 132115634 FWLUYFIYOATFQT-BQYQJAHWSA-N 286.400 3.739 30 20 CHED COc1ccc(CN(C)Cc2ccc(C)s2)cc1C#N 135036568 HPXVUPOONYEDJZ-UHFFFAOYSA-N 286.400 3.569 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H](C)CCSC)c1ccccc1 135239657 XMHHLGUMMPITLC-HUUCEWRRSA-N 291.460 3.946 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C)c(C)o1 136818358 OYBJSSTVNFFLSE-UHFFFAOYSA-N 269.344 3.725 30 20 CHED COc1cc(F)cc(NCC(C)(C)CCC#N)c1 152000438 BYYSYHWHDORHFL-UHFFFAOYSA-N 250.317 3.576 30 20 CHED C=C(C)CN1CCC(N[C@H](C)CCCC(C)C)CC1 153034758 PDRONXTVGVLQPK-MRXNPFEDSA-N 266.473 3.831 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 153845205 QVYHXDVDIBRNQH-GHMZBOCLSA-N 285.309 3.575 30 20 CHED C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC(C)(C)O1 154085524 MPSPUTZMDLYPMU-JTQLQIEISA-N 298.308 3.581 30 20 CHED CCOCCCC(=O)Nc1cc(C(C)(C)C)sc1C#N 154268195 CPLOYOZXQPZCAQ-UHFFFAOYSA-N 294.420 3.672 30 20 CHED C#CC[C@H](OC(=O)c1cc(C)c(F)c(C)c1)c1ccccn1 154869071 XJENGHVARSPCSU-INIZCTEOSA-N 297.329 3.759 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(SC)c(Cl)c1 156158666 UHTVRQIBVNVVNM-VIFPVBQESA-N 297.811 3.876 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](C)c2ccccc2)n1 157598295 UNVGYAWHGVTSPW-ZDUSSCGKSA-N 265.360 3.786 30 20 CHED Cc1ccsc1CCCC(=O)NCc1cccc(C#N)c1 161062735 IIXHBOXLOHKAAF-UHFFFAOYSA-N 298.411 3.567 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@]1(C)CC 161698463 YUHHMHSMOIONEJ-FUHWJXTLSA-N 284.403 3.733 30 20 CHED C=CC1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)CC1 171825822 UMQMXDKHOHLDFN-QGZVFWFLSA-N 284.403 3.745 30 20 CHED C[C@@H](NCCCSCC#N)c1ccccc1Cl 174111258 WRQRVFCOLQVTQD-LLVKDONJSA-N 268.813 3.637 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)c1ccccn1)c1ccccc1 179336840 NCJPNCZTBLHOSX-GJZGRUSLSA-N 280.371 3.619 30 20 CHED Cc1occc1S[C@@H](C)C(=O)Nc1cccc(C#N)c1 181295268 NDOOTMWEFLIWRL-NSHDSACASA-N 286.356 3.579 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1cccc2ccccc12 181665648 BSYMEDMXZXJRLA-GDBMZVCRSA-N 269.388 3.818 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1c(F)cccc1F 182608606 TYGODSXJCOBBKS-NEPJUHHUSA-N 281.346 3.929 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cccc(F)c2F)cc1 182722054 DSDQGXFIFMIPBC-CMDGGOBGSA-N 269.250 3.733 30 20 CHED C=CCCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 182869437 MKBUFHHBIGYNLV-GFCCVEGCSA-N 273.355 3.547 30 20 CHED C=CCCC[C@H](C)NCc1cncc(Br)c1 183763606 RNURNKPVNZSQGM-NSHDSACASA-N 283.213 3.679 30 20 CHED CCCCOc1cc(CN[C@@H](CC)CC#N)ccc1OC 184090095 CQZAFDITQKJBGC-HNNXBMFYSA-N 290.407 3.656 30 20 CHED C[C@@H](OCCCN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 185761625 HSKWNKPVFVYGNR-SOLBZPMBSA-N 286.419 3.826 30 20 CHED C=C(C)[C@H](NC(=O)C[C@@H](C)SC)c1ccc(F)c(F)c1 186082207 IAHFPXWFLSARBX-BMIGLBTASA-N 299.386 3.840 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C#N)c1ccccc1Cl 188048702 VSTLAEIMPFYNTA-UKRRQHHQSA-N 276.767 3.623 30 20 CHED CC(C)CNC(=O)[C@@H](C)S[C@H](C)c1cccc(C#N)c1 190915517 MPJXTZAUAMDOKW-CHWSQXEVSA-N 290.432 3.513 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C 191377669 PEEHVZAYACKBTP-UHFFFAOYSA-N 291.351 3.642 30 20 CHED COCCCOc1ccc(-c2ccc(C#N)cc2)cc1 193215630 ZMVNUVKAEVIALL-UHFFFAOYSA-N 267.328 3.641 30 20 CHED CC(C)c1ccc(NC(=O)c2ccccc2OCC#N)cc1 194059354 LBUGEKVVKUWKTK-UHFFFAOYSA-N 294.354 3.965 30 20 CHED CCCOc1cccc2c(N3CCC(C#N)CC3)ccnc12 194708917 OKYMWZNCRJQFSR-UHFFFAOYSA-N 295.386 3.764 30 20 CHED C=CCCCC(=O)Nc1ccc(Cl)c(OC)c1 194880364 SCIDZQWVHIJHRT-UHFFFAOYSA-N 253.729 3.643 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Br)cc1 196737353 CIUVEBUUBCVYOY-UHFFFAOYSA-N 282.181 3.990 30 20 CHED COc1ccccc1/C=C\C(=O)c1cc(C)ccc1OC 213740088 KUWYKZJVXBPUPW-KTKRTIGZSA-N 282.339 3.908 30 20 CHED C[C@H](C#N)CN(C)Cc1cccc(Cl)c1Cl 217905222 NHWFCYKAFHFNDZ-SECBINFHSA-N 257.164 3.585 30 20 CHED C=CCSCCN[C@H]1CCCc2ccc(OC)cc21 221948370 RRCQMKBLQFGZHU-INIZCTEOSA-N 277.433 3.581 30 20 CHED C[C@@H](NCc1cccc(C#N)c1F)c1ccccc1 223574073 XWOMXSOEZMBVLD-GFCCVEGCSA-N 254.308 3.548 30 20 CHED CSCCCCCCNc1cccc(C#N)c1[N+](=O)[O-] 235036635 JVRKSOPLUYLTQS-UHFFFAOYSA-N 293.392 3.802 30 20 CHED N#Cc1ccnc(Oc2cccc(F)c2F)c1Cl 236212419 DHWHXWXITHIUMF-UHFFFAOYSA-N 266.634 3.677 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC2(C)CCCCC2)cc1 237693550 PAFSSGRHFCJZJZ-AWEZNQCLSA-N 272.392 3.790 30 20 CHED N#CCN(C(=O)/C=C\c1ccc(Cl)s1)C1CCCC1 255728611 FTMOWKWFZVUUGI-VURMDHGXSA-N 294.807 3.709 30 20 CHED C=CCOc1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 255740978 KOWNGKLXVIIQKF-UHFFFAOYSA-N 298.298 3.616 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 269178459 ZBVUWFLSHFMGFI-LLVKDONJSA-N 291.782 3.866 30 20 CHED C#CC[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1ccccc1 270408908 DMXUPCJVPJSKBD-GOSISDBHSA-N 279.383 3.614 30 20 CHED C=CCC[C@@H](C)NCCc1nc(-c2ccncc2)cs1 273477882 LIIOZHVNRYFGQO-CYBMUJFWSA-N 287.432 3.692 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc2ccccc2o1 274628947 OKPWAGVGGRQWBK-OUCADQQQSA-N 254.333 3.776 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ncccc2C)CCCC1(C)C 277889411 NNJUNZRSXHPHDC-AWEZNQCLSA-N 287.407 3.989 30 20 CHED CC[C@@H](NCc1ccc(C)nc1)c1ccc(C#N)cc1 278349376 YXJZYLKHKPZWSG-QGZVFWFLSA-N 265.360 3.503 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 279942673 GCJTZBQTQVCEFH-CTYIDZIISA-N 289.806 3.752 30 20 CHED CC(C)(CCC#N)CNCc1c(F)cc(F)c(F)c1F 281819511 WMSUBNXVOGYOBY-UHFFFAOYSA-N 288.288 3.663 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ccccc1SC 282103950 FITGLAATDUKBLM-LBPRGKRZSA-N 263.406 3.942 30 20 CHED CCCCOc1cccc(NC(=O)[C@@](C)(C#N)CC)c1 285117539 NFBQUMIBXFCCMM-MRXNPFEDSA-N 274.364 3.744 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1ccc(F)c(F)c1 285614396 JIANXDGHDAHBSW-OTYXRUKQSA-N 267.275 3.509 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccco1 285699090 OYUVWLYSKDFCQV-CVEARBPZSA-N 289.350 3.749 30 20 CHED Cc1ccnc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 286267593 VGEJRCPXJWVKED-UONOGXRCSA-N 265.360 3.674 30 20 CHED CC(C)(C#N)CCNc1ccccc1OCC1CC1 288742786 PMFGTYZZZVTWRE-UHFFFAOYSA-N 258.365 3.827 30 20 CHED Cc1cccc(NCCC(C)(C)C#N)c1C(=O)N1CCCC1 288774020 VGBDKLLOYUALPK-UHFFFAOYSA-N 299.418 3.583 30 20 CHED Cc1ccc(CCC(=O)N2CCCC(C)(C)[C@H]2C#N)s1 290320555 BPFOOQPHYZMDSG-CQSZACIVSA-N 290.432 3.530 30 20 CHED COc1cccc([C@H]2CCCN2c2ccc(C#N)c(C)n2)c1 291699155 UDZDRJUXCJSWSG-QGZVFWFLSA-N 293.370 3.612 30 20 CHED Cc1ccc([C@H](C)Nc2ccc(C#N)c(C)n2)cc1[N+](=O)[O-] 291932181 MEVQHDBJBVZDMF-NSHDSACASA-N 296.330 3.651 30 20 CHED N#CCCCC(=O)Nc1ccc(OC2CCCC2)c(F)c1 292048529 GKFWHNZNQZLDSV-UHFFFAOYSA-N 290.338 3.779 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)[C@H]1OCCc2sccc21 292267804 LIIBWZUSLJIBDB-MEDUHNTESA-N 284.384 3.734 30 20 CHED N#Cc1cccc(N2CC3(CCC3)[C@H]2c2ccccc2)n1 293055753 MQOFFYPGBJLZPO-QGZVFWFLSA-N 275.355 3.685 30 20 CHED CC#CCN(C)C(=O)Nc1cccc(CCC(F)(F)F)c1 296626019 NDMVJFMGCRIPCH-UHFFFAOYSA-N 298.308 3.669 30 20 CHED CC#CCN(C)C(=O)Nc1cccc(N2CCCCCC2)c1 296693159 DIQISUPAYGKWRM-UHFFFAOYSA-N 299.418 3.554 30 20 CHED N#Cc1ccc(N2CCC(Nc3ccccc3F)CC2)cc1 301410217 JRWMPKDGAXHQQQ-UHFFFAOYSA-N 295.361 3.778 30 20 CHED CC(C)C[C@H](CCO)CNc1cc(Cl)ccc1C#N 301437451 SPXBUFLURPTPHY-LBPRGKRZSA-N 280.799 3.668 30 20 CHED C[C@]1(CNc2cc(Cl)ccc2C#N)CCCC[C@@H]1O 301497151 UNIXQMGVQPIKOA-LSDHHAIUSA-N 278.783 3.565 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)CCC2CCCCC2)C1 303604451 APJPPMIBWKXRHI-RHSMWYFYSA-N 276.424 3.936 30 20 CHED N#Cc1ccc(F)c(CSc2cccc([N+](=O)[O-])c2)c1 313566602 WYUNKZTYXDDCGC-UHFFFAOYSA-N 288.303 3.898 30 20 CHED N#CCOc1ccc(NCc2cccc3cccnc23)cc1 314520523 UDXUZFHXBJGZPV-UHFFFAOYSA-N 289.338 3.749 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2scnc2C2CC2)CCC1=O 329038546 SBJJUVWPQCRISH-PSASIEDQSA-N 278.377 3.614 30 20 CHED C[C@H]1CC(/N=C(/O)Cc2ccc3c[nH]nc3c2)C[C@H](C)C1 329282441 MWJCUCFSSVPYID-VXGBXAGGSA-N 285.391 3.887 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/[C@H]2CSc3ccccc32)CC(O)=N1 329664043 JTDDRNJHFJRZDM-SCVCMEIPSA-N 290.388 3.545 30 20 CHED Cc1nc(C)c(N=C(O)c2cccnc2C2CC2)s1 329667035 RHLWQKMJADYEPF-UHFFFAOYSA-N 273.361 3.669 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 329679116 QRUBTKHWCQULDB-HZSPNIEDSA-N 273.380 3.980 30 20 CHED CC(C)c1ccc(N=C(O)c2cnnn2C)c(C(C)C)c1 330689814 FHRRKJHRUANWQD-UHFFFAOYSA-N 286.379 3.698 30 20 CHED CC[C@@H](NC(O)=Nc1cc(C)cc(C)c1)C1CCOCC1 330947764 BLVFYKLIMHUFOF-MRXNPFEDSA-N 290.407 3.644 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)C1 331745531 CQSPLGDEJJEYMV-WDEREUQCSA-N 288.416 3.873 30 20 CHED CC(C)CC[C@H]1CCCCN1C(=O)NCC1(CC#N)CC1 332099648 AUJJZGNWCUSGBA-OAHLLOKOSA-N 291.439 3.681 30 20 CHED CN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC(C)(C)C1 332486199 QOIGVWOAAUHQDV-UHFFFAOYSA-N 291.782 3.864 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(C#N)oc1C 334082591 LGEKSUZBCTYXEL-SWLSCSKDSA-N 274.364 3.548 30 20 CHED Cc1c(F)cccc1NC(=O)C1(c2cccc(C#N)c2)CC1 336154851 UDKCRSOWPZEWHK-UHFFFAOYSA-N 294.329 3.676 30 20 CHED C[C@@H]1CC[C@@H](NCCCC2(C#N)CCOCC2)[C@H](C)C1 337207096 NVRXQFPBSPDQTR-BZUAXINKSA-N 278.440 3.501 30 20 CHED CC[C@@H](C)[C@H](NCCOCCC#N)c1ccc(Cl)cc1 339070905 KQCNTFWWYBSBQQ-CJNGLKHVSA-N 294.826 3.947 30 20 CHED Cc1cc(NCC2(c3ccc(F)cc3)CC2)cc(C#N)n1 341724815 CDDRPFKTNUHIGO-UHFFFAOYSA-N 281.334 3.545 30 20 CHED C=CCCCCCN(C)C(=O)c1cccnc1C1CC1 342294575 QHHJRABGWWEVQK-UHFFFAOYSA-N 272.392 3.777 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc2c1CCC2 342678376 VITBLELCEMSKKA-UHFFFAOYSA-N 284.403 3.577 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@H](OCC)C1=CCCC1 343263949 ZAEGYIOKJXSGKR-GOEBONIOSA-N 279.424 3.753 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 344181013 YGDYNEYERZTPFV-RHSMWYFYSA-N 296.414 3.675 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CC[C@@H](C)C2)s1 345145797 RVPXAUOXXJGCJC-ZJUUUORDSA-N 262.378 3.557 30 20 CHED Cc1occc1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 346849448 WUTIWEUSQMIYCH-UHFFFAOYSA-N 296.370 3.758 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@H]1CCC[C@@H](C)C1 347295768 CHKPUUPYSBNMPP-CJNGLKHVSA-N 272.392 3.577 30 20 CHED C=CCOCC(=O)Nc1ccc2nc(C(C)C)sc2c1 354832234 PRKUGRJFPOVTSK-UHFFFAOYSA-N 290.388 3.561 30 20 CHED CC[C@H](C)CN(CC)C(=O)C[C@H](CC#N)c1ccccc1 356276688 ZGLLXNHPWJUREQ-RDJZCZTQSA-N 286.419 3.969 30 20 CHED C=CCN(C(=O)Nc1ccnc(-c2ccccc2)c1)C1CC1 357755401 OIRRMXBWRSVPOQ-UHFFFAOYSA-N 293.370 3.931 30 20 CHED N#CCCCC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 360383141 WDIMXARJVWSDGP-GOSISDBHSA-N 298.430 3.942 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 381086514 CEXARNOCQQHPIU-CVEARBPZSA-N 254.377 3.569 30 20 CHED C[C@@H](NC[C@@H]1CCCC1(F)F)c1ccc(C#N)cc1 381674287 LKKFNLORUFKJTQ-RISCZKNCSA-N 264.319 3.644 30 20 CHED C=CCCCCCCNCc1cnc(CC)s1 383782429 PJDNLMPWDXIPNP-UHFFFAOYSA-N 252.427 3.932 30 20 CHED CCc1ccc(OCc2cc(C#N)ccc2OC)c(OC)c1 389477442 WOCJFLVJVDFIHD-UHFFFAOYSA-N 297.354 3.717 30 20 CHED C[C@H]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 408439857 WBOWEZSPKHRSGO-ONGXEEELSA-N 277.755 3.522 30 20 CHED CC[C@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412148921 AZYABKZRNMJXOP-OKZBNKHCSA-N 296.414 3.843 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)CC(C)(C)C#N)C1(C)C 412809999 HYXHMABCXCCZCI-CYBMUJFWSA-N 278.440 3.990 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1ccn(C)n1)c1ccc(F)c(F)c1 414125331 CSWSBWABMCOBTC-ZBEGNZNMSA-N 291.345 3.666 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Cl)c(SC)c1 417297422 SDANLGUDZFTNGA-MRVPVSSYSA-N 270.785 3.758 30 20 CHED CC[C@@H](SCC1(C#N)CCC1)C(=O)OC(C)(C)C 419591197 XHLYEVMOHXPXGM-LLVKDONJSA-N 269.410 3.534 30 20 CHED Cc1c(NC(=O)C[C@H](C)C(C)(C)C)ccc(C#N)c1C#N 421555220 HQULOXIUQXCKDR-NSHDSACASA-N 283.375 3.749 30 20 CHED CC(C)C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424980744 WQCQCSVMZPBQKR-USXIJHARSA-N 284.403 3.625 30 20 CHED COc1ccc(C#N)cc1NCc1scnc1C1CC1 426146065 QODBLKRXQSZHFH-UHFFFAOYSA-N 285.372 3.513 30 20 CHED C=CCC(C)(C)CNC(=O)NCC1(C(F)(F)F)CCC1 432346460 JTVPJAGGMLPTKH-UHFFFAOYSA-N 292.345 3.621 30 20 CHED CC(C)C1CCC(N(C)Cc2cc(C#N)n(C)c2)CC1 433029567 SOXSUDHSGZUBOG-UHFFFAOYSA-N 273.424 3.543 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c(OC)c1 433612235 JUOQWHBPJNIZQK-LBPRGKRZSA-N 294.782 3.921 30 20 CHED CCN(CC#N)Cc1cc(Cl)cc(C(F)(F)F)c1 437684055 DXZOVZHIMFKVCB-UHFFFAOYSA-N 276.689 3.704 30 20 CHED CC[C@H](F)CN(Cc1ccc(C#N)cc1)CC(C)C 440703623 RYRLORZYXHXAEH-INIZCTEOSA-N 262.372 3.764 30 20 CHED C=CCCCCNC(=O)c1ccncc1Oc1ccccc1 441293595 DGXBNBATQGEZDJ-UHFFFAOYSA-N 296.370 3.960 30 20 CHED N#C[C@@H]1CC[C@@H](NCCOc2ccc3ccccc3c2)C1 442709386 AFPODMREAMXLNQ-RHSMWYFYSA-N 280.371 3.500 30 20 CHED CCCOc1cc(C)ccc1CN[C@H]1CC[C@@H](C#N)C1 442762031 DSIWIVAFEQFLBR-ZBFHGGJFSA-N 272.392 3.566 30 20 CHED CC#CCCNC(=O)c1ccccc1Oc1cccc(C)c1 442890292 HKMYNGPJVGRXRB-UHFFFAOYSA-N 293.366 3.931 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H](C)CSC)CCCC1(C)C 445132390 ALTBAVLZRDYRBP-STQMWFEESA-N 284.469 3.514 30 20 CHED CC[C@H](CC#N)NCc1cnc(CCc2ccccc2)s1 449241908 CZNOJAIRSFPLIJ-OAHLLOKOSA-N 299.443 3.710 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CCC)C1CCCC1 449302491 VKQDRCWSHFRLBG-IKGGRYGDSA-N 265.441 3.916 30 20 CHED C=CC(C)(C)CN[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 449486746 VCHUNTSAMBVGRD-WMZOPIPTSA-N 286.463 3.699 30 20 CHED Cc1ccccc1C[C@H](C)NCc1ccc(C#N)c(F)c1 449737756 UENHGCISKXMOOM-AWEZNQCLSA-N 282.362 3.727 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1ccc(SC(C)C)cc1 451611813 XSLRNFPUUIIFDS-CVEARBPZSA-N 277.433 3.620 30 20 CHED Cc1nc(C(C)C)ccc1CNc1ccc(C#N)cc1 453056098 FQINBVUHOHIRFZ-UHFFFAOYSA-N 265.360 3.997 30 20 CHED C=CCC1(c2nc(CCC(F)(F)F)no2)CCCC1 453060366 BBGFPHKYHGNOIR-UHFFFAOYSA-N 274.286 3.952 30 20 CHED C[C@@H](NCCOCC1CCCC1)c1ccc(C#N)c(F)c1 453385748 DNWLJBTURXCFFS-CYBMUJFWSA-N 290.382 3.555 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(C(F)F)c1 454672450 CYUKMSXFEVDFFV-UHFFFAOYSA-N 254.280 3.712 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCC1=CCCCC1 455149698 YBJWWIMHBCASLX-UHFFFAOYSA-N 290.432 3.946 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 455316795 WDUNJQYVUPZBKS-GOEBONIOSA-N 272.392 3.540 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](CC)Cc1ccccc1 455529718 YHHKSNJAMKPVHN-INIZCTEOSA-N 274.408 3.615 30 20 CHED C=C(CC)CNC(=O)N1Cc2ccccc2C2(CCC2)C1 455548685 WORNETXEIGXXJH-UHFFFAOYSA-N 284.403 3.600 30 20 CHED C[C@H]1CC=C(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 455551173 SISHUULZQYQPFG-XHDPSFHLSA-N 288.778 3.767 30 20 CHED C=C(CC)CNC(=O)N(C)C1CCC(CC)CC1 459080740 QDGIZLUPEPHRKU-UHFFFAOYSA-N 252.402 3.563 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 459735680 UBARDVNWGFMOMS-IAGOWNOFSA-N 270.420 3.927 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)CC1 464168937 JUMAJLVMIWGRCY-ZQIUZPCESA-N 278.440 3.893 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1CC1CCCCC1 464755308 WEVBCFQWOKPEAL-DZGCQCFKSA-N 264.413 3.705 30 20 CHED C=C[C@H](C)NC(=O)N(CC)[C@@H](CC)c1ccccc1 464759001 UYINNQBIHXORJL-ZFWWWQNUSA-N 260.381 3.744 30 20 CHED N#CCc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1 464861187 YCWGKYZAAHDVHO-UHFFFAOYSA-N 288.709 3.797 30 20 CHED C=C[C@@H](C)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 465120175 NYHDDYKNRDUDFQ-RKDXNWHRSA-N 272.175 3.788 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 466377262 CUJOKEBIWRXFEN-DLBZAZTESA-N 286.419 3.615 30 20 CHED CC[C@@H](CNCCc1cccc(C#N)c1)c1ccccc1 466424064 UVDCWAICHMFVFJ-SFHVURJKSA-N 278.399 3.884 30 20 CHED CO[C@@]1(C)C[C@@H](Nc2c(Cl)cccc2C#N)C1(C)C 467009878 XDWFIXBRDGNHET-DOMZBBRYSA-N 278.783 3.827 30 20 CHED CC1(C)CN(C(=O)NCc2ccc(C#N)cc2)CC(C)(C)C1 467813570 ZCEJHXCMANMHSO-UHFFFAOYSA-N 299.418 3.526 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(F)c(C#N)c1 468271858 QRMCJDYKKNAASE-SUYBPPKGSA-N 272.367 3.850 30 20 CHED C=CCCC1(C(=O)N(C)CCOc2ccc(C)cc2)CC1 474408419 FZQCRCDZQHBUMD-UHFFFAOYSA-N 287.403 3.579 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 476646712 RSKRYPLTCPKENL-DLBZAZTESA-N 298.430 3.969 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc2ccsc12 477610705 HOPCWWKDURXCQQ-UHFFFAOYSA-N 260.362 3.941 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 478480378 KDQGFPHXLFCLOV-AWEZNQCLSA-N 276.424 3.745 30 20 CHED C=CCCCC(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl 479785030 JCUZBCSRPYGKHW-MLGOLLRUSA-N 295.810 3.889 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1 480575976 GCFMTUDRAPPYIO-HIFRSBDPSA-N 281.334 3.841 30 20 CHED Cc1cc(/C=C\c2nc3ccccc3n2CC#N)ccc1C#N 485971850 CGVKBZOEKIWHQN-CLFYSBASSA-N 298.349 3.910 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C=CCCC2)cc1Cl 487656939 WLPOSUVNJZSHCJ-NSHDSACASA-N 274.751 3.897 30 20 CHED C=C[C@@H]1CCCCN1C(=O)COc1ccc(C(C)C)cc1 488843723 VXCFZEQVOCOQKY-MRXNPFEDSA-N 287.403 3.756 30 20 CHED Cc1cc(CN(CC2CCC2)C(C)C)ccc1C#N 488983335 MQAAELNPAWLFOT-UHFFFAOYSA-N 256.393 3.877 30 20 CHED C=CCC[C@H](C(=O)Nc1ncc(C)o1)c1ccccc1 489079301 SEDHCNDYOIRMTE-AWEZNQCLSA-N 270.332 3.672 30 20 CHED C=CCC(C)(C)CNC(=O)CSCc1cccc(C)c1 489992278 ZVDYFKJWDGXYOA-UHFFFAOYSA-N 291.460 3.947 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CCCc2c(OC)cccc21 497454851 QPUKKZFWGZXWOT-CYBMUJFWSA-N 273.376 3.577 30 20 CHED CC#CCCNC(=O)Nc1ccc(OC2CCCC2)cc1 497676495 KHHGYIPQMGIPAJ-UHFFFAOYSA-N 286.375 3.543 30 20 CHED C=CCN(CCOc1ccc(C#N)cc1)Cc1ccccc1 502309780 BNMKFHCSMQAWCK-UHFFFAOYSA-N 292.382 3.625 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 503542910 DATDOWVDEZCJQB-JKIFEVAISA-N 278.440 3.809 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CC2(C)C)cc1 505833130 NTKYBFZVKFQUQR-HUUCEWRRSA-N 284.403 3.711 30 20 CHED C=CCc1cc(CN(C)[C@H](C)CCC)cc(OC)c1O 507026039 LPFUSYNDQWJDFF-CYBMUJFWSA-N 277.408 3.750 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)C[C@@H](C)c1ccccc1 509505029 CQXLGTCELFQVGG-CQSZACIVSA-N 292.382 3.742 30 20 CHED CC(C)[C@H]1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 513146398 CYVJAHJEPAPQKG-HNNXBMFYSA-N 293.455 3.784 30 20 CHED CCc1ccc([C@H]2CCCN(CC3(C#N)CC3)C2)cc1 513378174 ZRESFGBOFVKORY-KRWDZBQOSA-N 268.404 3.732 30 20 CHED Cc1ccccc1OCCCSc1ccc(C#N)cn1 520688175 OKPGJFUBDLJIKO-UHFFFAOYSA-N 284.384 3.823 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)c1sccc1C#N 529798693 GVRFEQGUPMARCH-OAHLLOKOSA-N 298.411 3.761 30 20 CHED C=CCC1(C(=O)N2CCC(F)(F)C[C@@H]2C)CCCC1 530007827 UKVVRICNJFBJSX-LBPRGKRZSA-N 271.351 3.769 30 20 CHED C=C(C)[C@@H](CC(=O)N(CCCC)CC(F)(F)F)OCC 534389724 IGCTVHUEAINSHD-GFCCVEGCSA-N 295.345 3.549 30 20 CHED CCC(CC)CN(CCC#N)c1ccc(Cl)c(C#N)n1 535087617 JAZHNDACXNRGPS-UHFFFAOYSA-N 290.798 3.763 30 20 CHED C=CC[C@H](CO)CN[C@H](c1ccc(CC)cc1)C(C)C 537093555 RQLASNTVOLEGBA-WMZOPIPTSA-N 275.436 3.720 30 20 CHED C=C(CC)CN1CCC(Oc2ccc(C)cc2)CC1 539104172 NYIMBUZRPCGCAX-UHFFFAOYSA-N 259.393 3.804 30 20 CHED CC(C)(C#N)CCN[C@@]1(C)CCCc2ccccc21 540906430 MJTOPZJOXOXOJJ-KRWDZBQOSA-N 256.393 3.768 30 20 CHED C=CC[C@H](CC)NC(=O)NCC(C)(C)c1cccs1 542949519 DTFPOZVHDVHBHD-LBPRGKRZSA-N 280.437 3.680 30 20 CHED C[C@H]1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 543152870 MGRJMBXZXSIHFH-SWLSCSKDSA-N 270.376 3.862 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Nc1cc(CC#N)ccn1 543458147 QARBTDAWTRICHU-GFCCVEGCSA-N 273.380 3.549 30 20 CHED COc1cc(C#N)ccc1NC(=O)C1(C)CCCCCC1 545297951 MQZKJMNOCRPFTR-UHFFFAOYSA-N 286.375 3.866 30 20 CHED C=CCC[C@@H](N[C@H](CO)Cc1ccc(C)cc1)c1ccco1 552283881 LSCLDPGSJAGTGA-ZWKOTPCHSA-N 299.414 3.789 30 20 CHED C=CCCCC[C@H](C)NCc1cnn2ccccc12 552599822 SKSUDDIPCQFPKN-AWEZNQCLSA-N 257.381 3.559 30 20 CHED C=CCOCCN1CCSC[C@H]1c1ccc(Cl)cc1 555364836 YQKUWXISFJIFPI-HNNXBMFYSA-N 297.851 3.633 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](CN(C)C)c1ccc(F)cc1 558255336 LLEOZTZVLJYRIN-JJRVBVJISA-N 278.415 3.619 30 20 CHED C[C@@H]1CC(CCNc2ccc(F)cc2C#N)C[C@@H](C)O1 558783838 DRVXAZAFYMQWQK-VXGBXAGGSA-N 276.355 3.703 30 20 CHED C=CCCCCSCCC(=O)NC1CCCC1 563621508 DBDVMRKPLIAXAB-UHFFFAOYSA-N 255.427 3.525 30 20 CHED CC[C@H](CC#N)NCCOc1ccc2ccccc2c1 564344167 OPTAPYPQVZBQST-MRXNPFEDSA-N 268.360 3.500 30 20 CHED C=CCCc1ccccc1NC(=O)c1ccnn1CC(C)C 566260548 MJGRISKOXJYXGW-UHFFFAOYSA-N 297.402 3.910 30 20 CHED C=CCC(C)(C)c1noc([C@H](OC)[C@H](C)CC)n1 566753410 XIJKYBCVTYIJFR-GHMZBOCLSA-N 252.358 3.657 30 20 CHED Cc1cccc2[nH]c(=NCC(C)(C)CCC#N)sc12 566816373 FECLGDCTXPEHQH-UHFFFAOYSA-N 273.405 3.769 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)ccc1OC(C)C 567882508 BQIOSIFZKDYMGW-UHFFFAOYSA-N 282.771 3.777 30 20 CHED Cc1cccc([C@H]2CCN(c3ccc(C#N)cc3)C2)c1 569763900 MZYBOTXSBIQVTR-KRWDZBQOSA-N 262.356 3.861 30 20 CHED CCC(CC)(CC)CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 570539023 YBPYNURPBQNWJF-UHFFFAOYSA-N 290.367 3.677 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1 572109730 GAMHOVHXONAHOA-YDHLFZDLSA-N 295.386 3.507 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)NCC2(C#N)CC2)CC1 572938612 SLSSDVSTHACHTR-ZIAGYGMSSA-N 291.439 3.584 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@@H](N)C1)c1ccccc1 573235143 MAYBCYNEWZTZDA-IKGGRYGDSA-N 258.409 3.553 30 20 CHED CC(C)CC[C@H](C)NC(=O)N1CCC(CCC#N)CC1 576981205 BVWRCZBYOKSGDS-AWEZNQCLSA-N 279.428 3.536 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1C2CCC1CC2 577042734 QWLQANXQDVOIGB-GTPINHCMSA-N 284.403 3.510 30 20 CHED C=CCn1c(-c2sccc2C)nnc1N(C)[C@@H](C)CC 578177535 VXSJSFQWOFXOBL-LBPRGKRZSA-N 290.436 3.736 30 20 CHED CCC(CC)CC(=O)Nc1cc(C#N)c2ccccc2n1 580494628 HBPQGROTLPDGJW-UHFFFAOYSA-N 281.359 3.871 30 20 CHED N#Cc1c(F)cccc1SCCCO[C@@H]1CCCCO1 582133437 WVCSAJDPARPHQI-OAHLLOKOSA-N 295.379 3.723 30 20 CHED C=CCCNc1ccc(Br)c(C(=O)OC)c1C 583056285 IOSDMFNTJKGFFI-UHFFFAOYSA-N 298.180 3.532 30 20 CHED C=CCC[C@@H](N[C@H]1COc2c(C)cccc2C1)C1CC1 583782523 OSWGFTVEMDJHIV-IAGOWNOFSA-N 271.404 3.633 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(OCC(C)C)cc2)cnn1C 588397256 KHSUNAXGDVZRMX-YFHOEESVSA-N 298.386 3.659 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cc(C#N)ccc1Cl 593254750 LKGIFXTXOPTFQY-SMDDNHRTSA-N 290.794 3.766 30 20 CHED C[C@H]1CCCCN1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 594446992 CUATZLRPIQAREU-AWEZNQCLSA-N 297.402 3.517 30 20 CHED N#Cc1ccc(OCc2cc(C3CC3)no2)cc1Cl 594895397 SHBZSZVQYWINLY-UHFFFAOYSA-N 274.707 3.656 30 20 CHED CCc1nnc(S[C@@H](C#N)C2CCCCC2)s1 594914357 LSCGJBJGOMUQEE-JTQLQIEISA-N 267.423 3.665 30 20 CHED C=CCCSCCNCc1cnc(C2CCC2)s1 594960549 SKAYXPVIGJMNOY-UHFFFAOYSA-N 282.478 3.810 30 20 CHED CN(CC1(c2ccccc2)CC1)[C@@H](C#N)c1ccccc1 595450780 CKFCGBRHJILPAH-SFHVURJKSA-N 276.383 3.915 30 20 CHED CCN(Cc1c(Cl)ccc2cccnc12)[C@H](C)C#N 595814309 TXLUCHLVKLDRII-LLVKDONJSA-N 273.767 3.622 30 20 CHED N#Cc1nc(N(Cc2ccccc2)C2CC2)sc1Cl 596072450 BBVIOUBGVLXOKM-UHFFFAOYSA-N 289.791 3.837 30 20 CHED N#CCCC[C@H](NC(=O)N[C@@]12CCC[C@H]1C2)c1ccccc1 596606892 YRBCPYZUZQOMAE-XYJFISCASA-N 297.402 3.663 30 20 CHED CC(C)[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597909862 QTPCEBMOIDLOFV-DOTOQJQBSA-N 284.403 3.578 30 20 CHED CCN(C(=O)C[C@H](c1ccccc1)C(C)C)[C@H](C)C#N 598357722 BBAIGMHMRYIJBG-ZBFHGGJFSA-N 272.392 3.577 30 20 CHED CC[C@@H](C(=O)N(CC)[C@H](C)C#N)C1CCC(C)CC1 598361283 GBRUQNDJFRVVHI-HXSCFSKGSA-N 264.413 3.599 30 20 CHED CCC(C#N)(CC)C(=O)N(C)C[C@@H](C)c1ccccc1 599286347 ICCHCGDQDJUKLI-CQSZACIVSA-N 272.392 3.578 30 20 CHED Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1(C#N)CCC1 601017283 BBNWQDDVASFVDB-AWEZNQCLSA-N 299.418 3.628 30 20 CHED C[C@H](SC[C@H]1CCO[C@@H]1C)c1cccc(C#N)c1 601053490 HFYKBVFUHAFSFI-TYNCELHUSA-N 261.390 3.777 30 20 CHED C=C[C@H](CC(=O)N1CCC(SC)CC1)c1ccccc1 601693442 KXTQMALJQHXNIP-CQSZACIVSA-N 289.444 3.700 30 20 CHED CCCCN(C)c1c(C#N)cnc2c(F)ccc(F)c12 610245030 ALBMUIKGAWYANT-UHFFFAOYSA-N 275.302 3.621 30 20 CHED C[C@@H](Nc1nccc2occc12)c1cccc(C#N)c1 610340240 GOYYOXSMFZYPMS-LLVKDONJSA-N 263.300 3.873 30 20 CHED CC(C)OCCCN(C)c1nc(C(C)(C)C)ccc1C#N 613425695 HDGMKWKRVYSTCX-UHFFFAOYSA-N 289.423 3.502 30 20 CHED Cc1cc(C)c([C@H](C)N2CC[C@@](F)(C#N)C2)c(C)c1 615644435 FXDAVLIKBBEPNI-GOEBONIOSA-N 260.356 3.610 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)C1CC1 619691645 ONSQDPVVOPSTMD-ZDUSSCGKSA-N 290.382 3.569 30 20 CHED C=CCN(C(=O)[C@H](CC)c1ccccc1)C(C)(C)C 622942234 ARWRMEUYXWYKRI-OAHLLOKOSA-N 259.393 3.993 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC2(CCC2)CC1 644971139 KVJDKNBATATGED-UHFFFAOYSA-N 264.413 3.564 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 648144164 NWTSCPYIILEJFT-ZDUSSCGKSA-N 298.386 3.746 30 20 CHED C=CC[C@H]1CC[C@H](NCc2noc(-c3cccs3)n2)C1 651822610 DFKLQGGCLWHMRS-RYUDHWBXSA-N 289.404 3.633 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCCC(C)(C)F 661750627 JXBLBBQOSAEKFZ-UHFFFAOYSA-N 284.400 3.584 30 20 CHED C=CCCc1ccccc1NC(=O)N1CC[C@H]2C[C@@H]2C1 667029284 WPNZUDNJGHAMRF-LSDHHAIUSA-N 270.376 3.679 30 20 CHED C=CCC1(N[C@@H]2CC(C)(C)C[C@@H]2C)CCOCC1 668551087 HRRNZOSYPALWQA-UONOGXRCSA-N 251.414 3.526 30 20 CHED C=C(C)CCc1noc(-c2cc3ccsc3[nH]2)n1 671670872 YJIMSHUGQHGPBQ-UHFFFAOYSA-N 259.334 3.788 30 20 CHED C=C(CNC(=O)NCCCc1ccccc1)c1ccccc1 672669322 UXYXZUSKIMUWMM-UHFFFAOYSA-N 294.398 3.632 30 20 CHED COCC#CCN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 678762157 CCZFPAKDSHPBEW-OAHLLOKOSA-N 299.336 3.642 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(SC(F)(F)F)cc1 690177876 AVTJTNFZBITKIP-MRVPVSSYSA-N 288.294 3.787 30 20 CHED C=C1CCN(c2nc(Cl)nc3sccc23)CC1 706433241 SANRIIISZSGOJZ-UHFFFAOYSA-N 265.769 3.501 30 20 CHED CCC(=NNc1ncnc2sccc12)c1cccs1 725818868 GSNLFGDMDZIHJC-UHFFFAOYSA-N 288.401 3.979 30 20 CHED C[C@@H](OC(=O)c1csc(C2CC2)n1)c1cccc(C#N)c1 727637104 SGFXXUIKTGFGKZ-SNVBAGLBSA-N 298.367 3.810 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(O)c(C)c2)c1OC 728231191 JPMIFZMTYKTLMM-JXMROGBWSA-N 298.338 3.614 30 20 CHED Cc1ccc(NN=C2CCCOc3ccccc32)cc1 728426899 DNCLUJPZOLWHKW-UHFFFAOYSA-N 266.344 3.984 30 20 CHED CC1(c2ccccc2)CC(=NNc2ccc(C(=O)O)cc2)C1 729632459 QWZNQWDOKFQSRR-UHFFFAOYSA-N 294.354 3.904 30 20 CHED N#Cc1ccccc1CSCc1cccc2c1OCCO2 729855133 OVUPZWNDKPYVQJ-UHFFFAOYSA-N 297.379 3.763 30 20 CHED Fc1ccc(NN=Cc2ccc(-c3ccccc3)o2)nc1 731319608 WSOHDUWILAEZGY-UHFFFAOYSA-N 281.290 3.927 30 20 CHED Oc1ccccc1/C=N\C[C@H]1CCc2ccccc21 731938519 UDCNPQQUUMPHOZ-IIMQCXAKSA-N 251.329 3.541 30 20 CHED CCCNN=Cc1ccc(Oc2cccnc2)c(C)c1 732712673 NJOXFYNCLVLEQZ-UHFFFAOYSA-N 269.348 3.516 30 20 CHED C#CC(C)(C)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 733979142 RDEAUCUSVFJWMU-NEPJUHHUSA-N 296.197 3.625 30 20 CHED C=CC[C@H](NC(=O)CCc1ccsc1)c1ccncc1 734235060 BWHAFLRROQHDCS-HNNXBMFYSA-N 286.400 3.509 30 20 CHED C=C(Cl)CN(Cc1ccc(F)cc1)CC1CC1 734639932 PGOFXJOJFDSXFX-UHFFFAOYSA-N 253.748 3.790 30 20 CHED Cc1cccc(C[C@H](NCc2ccc(C#N)cc2)C2CC2)c1 735324275 LIMSUTXEABHBQM-FQEVSTJZSA-N 290.410 3.978 30 20 CHED C=C(Cl)CNC(=O)c1sc(C)nc1-c1ccccc1 736245036 CXIRUXMTYXWABA-UHFFFAOYSA-N 292.791 3.601 30 20 CHED C=C(Cl)CNC(=O)NCc1c(Cl)cccc1Cl 737037730 MFJQXEPLQXEZGI-UHFFFAOYSA-N 293.581 3.545 30 20 CHED N#CCCCCOC(=O)Cc1c[nH]c2ccc(Cl)cc12 740299986 KRSLBLQCAUNVAL-UHFFFAOYSA-N 290.750 3.601 30 20 CHED C#CCOc1ccc(C(=O)N(CC)CC(CC)CC)cc1 741539128 IPDNNMMLZISBQR-UHFFFAOYSA-N 287.403 3.597 30 20 CHED CCCCCCCCOCC(=O)N[C@@H]1CCC[C@@H]1C 741559236 IEKARRFQAXOFKQ-LSDHHAIUSA-N 269.429 3.668 30 20 CHED Fc1ccc(C/N=C2/NN=C(C3CCCC3)CS2)cc1 743277657 REXBCLPEVIRXFC-UHFFFAOYSA-N 291.395 3.564 30 20 CHED N#Cc1ccc(C=NNc2nc(-c3ccccc3)cs2)o1 743430630 LZPUCWNRMNXJKG-UHFFFAOYSA-N 294.339 3.721 30 20 CHED C=C(C)COC(=O)c1cn(-c2ccc(Cl)cc2)nc1C 744040559 KIGLCGPNAHPKIY-UHFFFAOYSA-N 290.750 3.567 30 20 CHED CCCCCCCC(=O)Nc1cc(CC(C)C)nn1C 747401556 DAVJONRMEZLLLI-UHFFFAOYSA-N 279.428 3.918 30 20 CHED Fc1ccc(/C=C/C=NNCc2ccccc2)cc1 747740606 HDBUJALSDYPJTM-DEVRPUBGSA-N 254.308 3.615 30 20 CHED CCCC[C@@H](CC)C(=O)OCC(=O)c1ccc(C#N)cc1 748258233 MYDBNODWVLFTHK-CQSZACIVSA-N 287.359 3.501 30 20 CHED Cc1nc(-c2ccc(C)c(N=Cc3ccccc3O)c2)n[nH]1 749008327 VTHSHJSYQRVSAR-UHFFFAOYSA-N 292.342 3.545 30 20 CHED COc1cc(/C=C/C(=O)c2ccsc2)ccc1OCC#N 749105399 SIXFDWDBMVDXBZ-DUXPYHPUSA-N 299.351 3.555 30 20 CHED O=C1/C(=C\c2cc(F)c(O)c(F)c2)Cc2c(F)cccc21 749891988 QEJCURWSCXOJJU-WTKPLQERSA-N 290.240 3.632 30 20 CHED Cc1cc(F)ccc1NN=Cc1cnc2ccccc2n1 750946244 NPMOIWLMAQOHNW-UHFFFAOYSA-N 280.306 3.523 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1cc(O)cc(O)c1 753718231 UIGSZYGOGRZKCM-XQRVVYSFSA-N 291.306 3.542 30 20 CHED C#CC(=O)N[C@@H](CCC(C)C)c1ccc(Cl)cc1 753949983 WLZNPQZKCQASEY-AWEZNQCLSA-N 263.768 3.567 30 20 CHED Cc1cccc(C)c1C=NNc1oc(CC(C)C)nc1C#N 755673926 VYLGHELMPZEJFP-UHFFFAOYSA-N 296.374 3.808 30 20 CHED CC(C)(C=NNc1ccc([N+](=O)[O-])cc1Cl)CCC#N 755689854 TXEKSHRGNOEFLN-UHFFFAOYSA-N 294.742 3.976 30 20 CHED FC(F)(F)c1csc(NN=C[C@H]2CC=CCC2)n1 755900710 OTNWZSGVYNPGTG-QMMMGPOBSA-N 275.299 3.916 30 20 CHED C[C@H]1C[C@@H](NCc2ccc(C#N)cc2)c2c(O)ccc(F)c21 756419955 VDZAQHBZLDTBOA-XHDPSFHLSA-N 296.345 3.741 30 20 CHED O=C(/C=C\c1ccccc1F)c1cc(F)cc(F)c1O 757471460 CPROUSMGKDSKER-WAYWQWQTSA-N 278.229 3.706 30 20 CHED Clc1cc(Cl)c2c(c1)C=C(C=NNC1CC1)CO2 758134097 WDIBEJRLANYLQH-UHFFFAOYSA-N 283.158 3.507 30 20 CHED CC(=NOCC(F)F)c1sc(-c2cccnc2)nc1C 758907696 ZMWBSFOCBABEFA-UHFFFAOYSA-N 297.330 3.519 30 20 CHED C[C@H](C[C@@H]1CCOC1)/N=C/c1c(O)ccc2ccccc12 759643621 NSLFHKCHASXKHC-VIGDKKSZSA-N 283.371 3.779 30 20 CHED COc1cccc2c1C/C(=C\c1ccsc1)C2=O 759663336 CCQIMQBEZQQPBC-YRNVUSSQSA-N 256.326 3.579 30 20 CHED Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)s1 760217922 KZAOADSPQZTTSE-UHFFFAOYSA-N 275.333 3.719 30 20 CHED CC#CCCOC(=O)Cc1coc2cc(C)c(C)cc12 760281999 HIQNWTCAOPRLAP-UHFFFAOYSA-N 270.328 3.549 30 20 CHED C#CCCNc1cccc(COC2CCCCC2)c1 760293134 YRKLORGIYUONNA-UHFFFAOYSA-N 257.377 3.971 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](C)C(CC)CC)c1ccncc1 761703420 BGQAFUDMZPNSRR-XJKSGUPXSA-N 274.408 3.887 30 20 CHED Cc1ccc(Cl)c(NC(=O)NCc2ccc(C#N)cc2)c1 762219930 JQPGNXIYOKCSEB-UHFFFAOYSA-N 299.761 3.842 30 20 CHED COc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)ccc1F 763502947 VECYHFDGUBDMFZ-NSHDSACASA-N 299.301 3.624 30 20 CHED C=CCOc1ccc(COC(=O)[C@@H]2Cc3ccccc32)cc1 763642325 XFBXVBSGCBXJBD-GOSISDBHSA-N 294.350 3.635 30 20 CHED C[C@H](OC(=O)C1(c2ccccc2)CC1)c1cccc(C#N)c1 764607617 PNHGKDUKXUFVEC-AWEZNQCLSA-N 291.350 3.894 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1cccc([N+](=O)[O-])c1 765992028 FPOAYEFYUWVVSW-JTQLQIEISA-N 261.325 3.819 30 20 CHED CCCCCCCCN1CC[C@@H]2[C@@H](CCCN2C)C1 766124411 XTNYNWSNQHAMQP-DLBZAZTESA-N 266.473 3.763 30 20 CHED C#CCCCSc1nnc(Cc2ccccc2)n1CC=C 766294663 LPBDRWJQEUZRAQ-UHFFFAOYSA-N 297.427 3.560 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)cc1 766584871 RSRYHOIQPFWZPI-OJXHRBAXSA-N 290.794 3.798 30 20 CHED C=CCCC(=O)O[C@H](c1ccc(OC)cc1C)C1CC1 766593472 KYCPVNXAEUSJDL-KRWDZBQOSA-N 274.360 3.964 30 20 CHED C#CCCCC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 767232453 WWWDBQKLMOUHBD-HNNXBMFYSA-N 269.388 3.966 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sc2cccc(C)c2c1Cl 767233466 ZGKSRQYSWUUZDR-JTQLQIEISA-N 291.803 3.957 30 20 CHED CC1CC(C#N)(C(=O)OCc2ccc(C(C)(C)C)cc2)C1 767420812 CQNQUCANMRBSFX-UHFFFAOYSA-N 285.387 3.967 30 20 CHED CCOc1cc(C=NOC)ccc1OCc1ccccc1 767490730 KOTBJUOGUVQIBX-UHFFFAOYSA-N 285.343 3.645 30 20 CHED CCCCCCC[C@@H](C)NC[C@H](O)c1ccc(C)o1 768518527 VCVRRUCEGSQDCC-HIFRSBDPSA-N 267.413 3.960 30 20 CHED N#C[C@@H](OC(=O)[C@H](F)c1ccccc1)C1CCCCC1 769171985 RCTKFKDCVXRQGE-HUUCEWRRSA-N 275.323 3.713 30 20 CHED CCC1(CC)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 769399964 ZBIATOZYVDHKRC-HNNXBMFYSA-N 286.419 3.990 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1CCO[C@@H]1C 770694796 SOYRRCXWCUSTOV-HUUCEWRRSA-N 269.429 3.620 30 20 CHED CC(C)c1ccc(C(=O)OCc2ccc(F)c(C#N)c2)cn1 772397661 XAEGBUGFSNVAEJ-UHFFFAOYSA-N 298.317 3.573 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@H](C)C[C@@H]1C 773086496 RXAVXLTUGACDOE-RYUDHWBXSA-N 260.385 3.824 30 20 CHED C#C[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 773593141 NQEQSPBFIWBITD-XHDPSFHLSA-N 290.794 3.502 30 20 CHED COC(=O)c1coc(/C=C2\CCc3ccc(C)cc3C2=O)c1 774135793 OLUGUWWJZFLVCF-MDWZMJQESA-N 296.322 3.587 30 20 CHED CC(CCCC(F)(F)F)=NNc1ccc(Cl)nn1 774310895 NRMWLHVGRPDUJV-UHFFFAOYSA-N 280.681 3.650 30 20 CHED C#CCOc1ccccc1NCc1ccc(F)cc1C 774373983 CPPNAGGTBBDZMB-UHFFFAOYSA-N 269.319 3.758 30 20 CHED CC(CCCC(F)(F)F)=NNc1cc(Cl)nc(C)n1 774386739 GIEUWWXJRXKIHC-UHFFFAOYSA-N 294.708 3.959 30 20 CHED COc1cc(C=NOC2CCCC2)ccc1OC(C)C 774597742 XTWQPFLEUSDPIT-UHFFFAOYSA-N 277.364 3.776 30 20 CHED N#Cc1ccc(C(=O)OCC2(c3ccccc3)CC2)s1 774817353 HHVZLPQQCSMHOH-UHFFFAOYSA-N 283.352 3.508 30 20 CHED C=CCCC[C@H](C)NC(=O)/C=C/c1cccc(F)c1 775926529 YGCSSEOGJFAZSY-NHAQELONSA-N 261.340 3.700 30 20 CHED C[C@@H]1CC[C@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)C1 776335410 ZTNFCPSZKAZVAB-JMSVASOKSA-N 257.333 3.599 30 20 CHED Cc1oc(C)c(C(=O)O[C@H](C#N)C2CCCCC2)c1C 776369992 WMTRJGHMEMPHAT-CQSZACIVSA-N 275.348 3.834 30 20 CHED CC(C)(C#N)CCOC(=O)CCOc1cccc(Cl)c1 776375009 CSUHKDVDBNMRTQ-UHFFFAOYSA-N 295.766 3.592 30 20 CHED C=CCCOC(=O)c1coc(-c2ccccc2Cl)n1 776439629 XSSKJDMUJXDBHC-UHFFFAOYSA-N 277.707 3.728 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1cscn1 776786486 WFEFUMWLRUPRLK-UHFFFAOYSA-N 282.372 3.836 30 20 CHED COC[C@@H](C)C(C)=NOc1ccccc1C(F)(F)F 777889966 YPKMOTWSADRHTP-SECBINFHSA-N 275.270 3.743 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(c1)CCC2 779723979 ISXGDDKDLCPFPG-UHFFFAOYSA-N 255.361 3.698 30 20 CHED C#CCCCCCC(=O)N1CCCc2cccc(C)c21 779764344 YHIXPFWDMNNHLX-UHFFFAOYSA-N 269.388 3.858 30 20 CHED C#CCCCCCC(=O)NC1CCC(C(C)C)CC1 779936867 OWNRUQXLSWBIEN-UHFFFAOYSA-N 263.425 3.901 30 20 CHED C=CC[C@@H](NC(=O)/C(C)=C(/C)CC)c1ccncc1 779944576 QUSLQKCNLNEFAC-WIDZWVOGSA-N 258.365 3.561 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1c(Cl)cnn1C 780186962 OGUIFOKSMBGWNN-FPLPWBNLSA-N 299.761 3.759 30 20 CHED CC(=NNc1ncncc1Cl)c1cc(C)ccc1C 780283108 QOHYMYUROSLVFK-UHFFFAOYSA-N 274.755 3.583 30 20 CHED CCCCC[C@](C)(CC)C(=O)N(CC)CCC#N 780444817 VYUHRZXIVIGRAF-HNNXBMFYSA-N 252.402 3.745 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@H]([C@H](C)O)C1 780803137 IEUSGPVTEJQQRC-ULQDDVLXSA-N 297.483 3.993 30 20 CHED Cc1cc(N2CCC(CC#N)CC2)c(Cl)cc1[N+](=O)[O-] 781679208 XZUXPFBBCXIFLN-UHFFFAOYSA-N 293.754 3.687 30 20 CHED CSc1ccccc1CC(=O)OCCCC(C)(C)C#N 784567612 RGDDWPOTPYFOHI-UHFFFAOYSA-N 291.416 3.824 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1csc([C@@H](C)OCC)n1 785754221 OAOBYNBNNLWPDJ-ABAIWWIYSA-N 297.420 3.886 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1cncs1 787172386 LOXMYQRRZSRFPU-AATRIKPKSA-N 266.325 3.587 30 20 CHED N#Cc1ccc(C(=O)OCc2cc(Cl)ccc2F)cc1 787566580 CNBOBWCZKPXXNZ-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#CCC1(C(=O)OCc2cccc(C(C)=O)c2)CCCCC1 788455129 NQPBFGOTVRYWBA-UHFFFAOYSA-N 298.382 3.906 30 20 CHED CCC(CSc1ccc(Cl)cc1)=NN[C@H]1CCOC1 788457388 RHOXVTBWGWOAIE-ZDUSSCGKSA-N 298.839 3.577 30 20 CHED C=CCCCOC(=O)c1cnn(C2CCCC2)c1CC 789260800 CZOXGIQDKAYPJH-UHFFFAOYSA-N 276.380 3.684 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CCC)[C@H]1CCc2ccccc21 791069432 KWSVTHGYGOYNIV-WMZOPIPTSA-N 298.430 3.897 30 20 CHED C[C@H]1COCCC1=NOCc1ccc(C(F)(F)F)cc1 794524505 YWAUDEDZDVPEQB-JTQLQIEISA-N 287.281 3.634 30 20 CHED Brc1cscc1C=NNCc1ccccc1 794877642 LIVXULKMNIDCJW-UHFFFAOYSA-N 295.205 3.634 30 20 CHED Fc1cc(NN=C/C=C/c2ccc(F)c(F)c2)ccn1 794929653 WNURXERBUAFTAA-MURYRYTESA-N 277.249 3.610 30 20 CHED COc1ccc(/C=C2/CCc3ccc(O)cc3C2=O)cc1 794960679 WGOKPXPJBGJTKG-UVTDQMKNSA-N 280.323 3.613 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1ccc(C(C)(C)C)cc1 796756915 ZEZPAAIZGAQLFI-MRXNPFEDSA-N 259.349 3.829 30 20 CHED Cc1cccnc1[C@H]1CCCC(=NO[C@@H]2CCCCO2)C1 799111956 ODZBJTYZQGMWDF-GOEBONIOSA-N 288.391 3.947 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3ccccn3)C2)c(Cl)c1 799197858 LUTKKHCELKOPGI-HNNXBMFYSA-N 297.789 3.596 30 20 CHED Cc1ccc(-c2nc(CCc3ccccc3)no2)cc1C#N 799761351 XYNJIINCVZESEQ-UHFFFAOYSA-N 289.338 3.702 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)c(C)o2)cc1 799897120 MZWGCGKBZOEJCI-RMKNXTFCSA-N 256.301 3.801 30 20 CHED FC(F)(F)c1cccnc1NN=C1CCC[C@H]2C[C@@H]12 800810912 ZGLBKUDDXJNYRJ-DTWKUNHWSA-N 269.270 3.688 30 20 CHED C#Cc1cc(F)c(NCc2c(F)cccc2F)c(F)c1 802744431 PPIZYZQGRKLAAU-UHFFFAOYSA-N 279.236 3.836 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc3occc3c2)s1 802851256 ACUUOWYMSNWFQS-UHFFFAOYSA-N 283.308 3.723 30 20 CHED C=CCCCCCCNC(=O)Cc1ccccc1F 805217846 LZCGJRXJDMXPRX-UHFFFAOYSA-N 263.356 3.621 30 20 CHED C=CCCCCCCNC(=O)[C@H](F)Cc1ccccc1 805218802 MDQWASWFBREPBN-MRXNPFEDSA-N 277.383 3.820 30 20 CHED N#CCCCCCC(=O)O[C@@H]1CCc2ccc(F)cc21 805892577 LKCVUCQDUPUBKD-OAHLLOKOSA-N 275.323 3.830 30 20 CHED C=CCCCCCCNC(=O)N1CCO[C@@H](C(C)(C)C)C1 806003897 LQYGJKCPXIKPDF-OAHLLOKOSA-N 296.455 3.579 30 20 CHED CCCc1nnc(S)n1N=C[C@@H]1CCC[C@H](CC)C1 808009385 DIHGXPQFHHRIKU-NWDGAFQWSA-N 280.441 3.570 30 20 CHED C#Cc1ccc(CN2C[C@H](C)O[C@H](c3ccsc3)C2)cc1 809587185 MVCQXBJUINPTIQ-KSSFIOAISA-N 297.423 3.691 30 20 CHED C#Cc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1 809607153 QPGQOBAZPNBWIV-CXAGYDPISA-N 265.356 3.674 30 20 CHED Cc1cc(C)c([C@@H](C)OC(=O)c2cccc(C#N)n2)c(C)c1 810552404 RYDMREIHIDBQSJ-CQSZACIVSA-N 294.354 3.797 30 20 CHED CC(=NOCc1cccnc1)c1nccc2ccccc12 811645508 PJZRNPBHDXVJJM-UHFFFAOYSA-N 277.327 3.571 30 20 CHED C1CCC2(C1)CCC(=NOC[C@H]1CCOC1)CC2 811649018 XXSHFXZQUBNABT-ZDUSSCGKSA-N 251.370 3.530 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NOC/C=C/Cl 811670181 YWDOLWVQOPUGRX-YGNMSSQISA-N 289.766 3.592 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cc1 811947604 JLNFBSLCTQYZPF-DGCLKSJQSA-N 297.732 3.566 30 20 CHED c1ccc2c(c1)CC1(CCOCC1)C2=NOCCC1CC1 814245179 UKTOMJOGDXORGR-UHFFFAOYSA-N 285.387 3.560 30 20 CHED O=C(O)c1cc(NN=C2CC[C@@H]2C2CC2)ccc1Cl 814688549 BXKOGVLHDRRTIZ-SNVBAGLBSA-N 278.739 3.626 30 20 CHED C[C@@H]1CCC(=NNc2ncccc2C(F)(F)F)C1 814801608 OGMWLROPOCBALE-MRVPVSSYSA-N 257.259 3.688 30 20 CHED CC(C)c1cnc(C=NNc2ccc(C#N)cc2)s1 814803321 PISVGEPOTOMLKE-UHFFFAOYSA-N 270.361 3.584 30 20 CHED c1cc2sccc2c(NN=C2CC[C@@H]2C2CC2)n1 814809072 OHZCNAIELPHKCP-SNVBAGLBSA-N 257.362 3.884 30 20 CHED Cc1sccc1C=NNc1cncc(Br)c1 814886435 BUPIBCDIAXDLTB-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CC(=NNc1c(F)cccc1Cl)C1CCN(C)CC1 814904948 GVYMUZYDQIJSON-UHFFFAOYSA-N 283.778 3.609 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(c3cccc(F)c3)CC2)C1 815058756 SENKMXUQVYWMQH-CXAGYDPISA-N 272.367 3.697 30 20 CHED C[C@H](C(=O)OCCCCC(C)(C)C#N)C(C)(F)F 815489854 FKXKYOXXFZPPAG-SNVBAGLBSA-N 261.312 3.541 30 20 CHED N#Cc1cccc(NC(=O)c2snc(Cl)c2Cl)c1 816834752 DSTUAZLOEACGGD-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CCCCCC(C)=NNC(=S)NCc1ccc(F)cc1 818270089 ZDHJKDQBJHTGBA-UHFFFAOYSA-N 295.427 3.746 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H](C)c1cccc(C#N)c1 820004507 YWQYYOYCYRCKEC-LBPRGKRZSA-N 257.333 3.765 30 20 CHED C=CCCCC[C@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 823683940 MQMLGDCXEHRDFE-STQMWFEESA-N 288.391 3.953 30 20 CHED CC(C)(C#N)CCOC(=O)c1cccc2cc(O)ccc12 829358926 PTTHDAXFASDYOZ-UHFFFAOYSA-N 283.327 3.642 30 20 CHED Cc1ccc(C#N)cc1OC(=O)O[C@H](C)CC(C)C 830860412 SGFUSEHVRPGYDW-GFCCVEGCSA-N 261.321 3.817 30 20 CHED C=CCC1(C(=O)N2CC[C@H](c3ccccn3)C2)CCCCC1 831190987 MGVCYJBNWQFILG-INIZCTEOSA-N 298.430 3.924 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2csc(C)c2)cc1 834889846 GLRMXFJWIFSDEC-AWEZNQCLSA-N 285.412 3.919 30 20 CHED CC(C)COc1ccccc1C=NO[C@@H]1CCCCO1 834967254 VWYLFSVJSDFGEU-MRXNPFEDSA-N 277.364 3.599 30 20 CHED CC(=NNc1ccncn1)c1cccc(CC(C)C)c1 835001419 MLXXYESKUNHDRF-UHFFFAOYSA-N 268.364 3.511 30 20 CHED CCC(CC)Oc1ccc(C(=O)O[C@H](C#N)C2CC2)cc1 835196266 PUXSPLTYPRXAMM-MRXNPFEDSA-N 287.359 3.713 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cc(C)ccc1F)OCC 835921281 HTNOHJADYABBMG-HNNXBMFYSA-N 280.339 3.549 30 20 CHED Cc1c(NC(=O)C#CC(C)(C)C)cccc1-c1ncco1 837667309 NFAWSFBMQGTMGY-UHFFFAOYSA-N 282.343 3.638 30 20 CHED CC(C)(CC(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 839048804 OKBNXBNLIVICCV-GDBMZVCRSA-N 285.387 3.980 30 20 CHED Cc1ccc(CCC(=O)O[C@@H]2CCC[C@H](C#N)C2)s1 839064898 YFOBZSNKJJXQET-QWHCGFSZSA-N 277.389 3.615 30 20 CHED Cc1ccc(N2CCN([C@@H](C)CCC#N)[C@@H](C)C2)cc1C 839504602 LUZLBMDYGQKRSI-IRXDYDNUSA-N 285.435 3.506 30 20 CHED C=C(Cl)CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 839603112 PFPCXRJEUOKSRT-AWEZNQCLSA-N 275.783 3.761 30 20 CHED N#Cc1c(Cl)nsc1N1CCSC2(CCC2)CC1 840357126 OXPFBORSOLDGAQ-UHFFFAOYSA-N 299.852 3.534 30 20 CHED COc1ccc(C(=O)/C=C/c2ccnn2C(C)C)c(C)c1 840722686 NGHFHPFYYYFWIU-VMPITWQZSA-N 284.359 3.677 30 20 CHED C#CCCCCC(=O)N(C)c1ccc(-c2nccs2)cc1 841261443 HDEZFTNCBDPXRY-UHFFFAOYSA-N 298.411 3.967 30 20 CHED C=CC(C)(C)COC(=O)[C@@H]1C[C@H]1c1ccccc1OC 842370690 BOTPLQZZJUASMI-UONOGXRCSA-N 274.360 3.554 30 20 CHED C=C(C)CONC(=O)Nc1cc(Cl)ccc1OCCC 844512140 RVPTVVGUOIEDKG-UHFFFAOYSA-N 298.770 3.758 30 20 CHED C=C(C)CONC(=O)N[C@@H](CC)c1ccc(Cl)s1 845596730 AEJSPJVKRUVNKM-VIFPVBQESA-N 288.800 3.660 30 20 CHED C=C[C@@H](C)ONC(=O)N(Cc1ccccc1)CC1CCC1 845632474 BFIAJNXNEQVVLV-CQSZACIVSA-N 288.391 3.504 30 20 CHED C#CCCCCCC(=O)O[C@@H]1CCCc2cccnc21 845653334 QYUPXUHPMUJEOT-OAHLLOKOSA-N 271.360 3.586 30 20 CHED C=C[C@H](OC(=O)c1ccc(C(F)F)nc1)C(C)(C)C 847704533 VFKGNDUDVRQJFZ-NSHDSACASA-N 269.291 3.777 30 20 CHED C=C(Cl)CNC(=N)Nc1ccc([C@H](C)CC)cc1 849101260 DQYXBPDQAFFPTE-SNVBAGLBSA-N 265.788 3.889 30 20 CHED C=CC[C@H](NCc1cc(COC)cs1)c1ccncc1 850137877 UVVQYYMNIJQHQT-INIZCTEOSA-N 288.416 3.697 30 20 CHED C=CCC(C)(C)COC(=O)CCCc1cccnc1 851042283 FRULADRTIYDTSZ-UHFFFAOYSA-N 261.365 3.550 30 20 CHED CC(CC(C)(C)C#N)=NNc1cc(C(F)(F)F)ccn1 853353257 WDYZMEDGJUJQQY-UHFFFAOYSA-N 284.285 3.828 30 20 CHED C#CCCCCC(=O)N(c1ccc(C#N)cc1)C1CCC1 857675984 FSQCNYHOAWJRAV-UHFFFAOYSA-N 280.371 3.637 30 20 CHED CCCCCCCNC(=O)NC[C@@H](C)c1nc(C)cs1 858112679 RIXLFUZJOJBIGC-GFCCVEGCSA-N 297.468 3.825 30 20 CHED C#C[C@H](OC(=O)[C@H]1CCC(F)(F)C1)c1ccc(C)cc1 860961167 ABPACUMGWPMWPG-KBPBESRZSA-N 278.298 3.648 30 20 CHED C[C@H](CCC#N)CN1CCCC[C@@H]1[C@H](O)c1ccccc1 876663608 ZGJJFTJKIXECPA-KBAYOESNSA-N 286.419 3.514 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3c2[nH]c2ccc(F)cc32)C1 886629385 CKGFKIRXWZLTIQ-XTQGRXLLSA-N 297.377 3.966 30 20 CHED C=C1CCC(C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)CC1 890428653 IQODKPDTEXNRJV-UHFFFAOYSA-N 292.310 3.727 30 20 CHED CC(C)(CCC#N)CNC(=O)CCCCc1ccccc1 890944885 FFIYJVKMYILJQI-UHFFFAOYSA-N 286.419 3.846 30 20 CHED CCCCCC[C@H](CC)C(=O)N(CC#N)c1ccccn1 892465112 RHSADQLYMHLVNJ-HNNXBMFYSA-N 287.407 3.935 30 20 CHED CCCSC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 892521238 NNMZBLRINOJCBB-STQMWFEESA-N 262.422 3.741 30 20 CHED C=CC(C)(C)CC(=O)Oc1ccc(NC(=O)C(C)C)cc1 892838640 AHVFANUMMCNKFK-UHFFFAOYSA-N 289.375 3.789 30 20 CHED C=C1CN(C(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)C1 898696248 SMEXQTAJKSWNMD-XFFZJAGNSA-N 281.277 3.507 30 20 CHED CCc1onc(C)c1/C=C1/CCc2ccccc2C1=O 899336508 VSTMPIUQGQBFAY-RAXLEYEMSA-N 267.328 3.758 30 20 CHED CC[C@@H](NCCC1(OC)CCC1)c1cccc(C#N)c1 903000580 LJUXTRJRTGBYOW-MRXNPFEDSA-N 272.392 3.558 30 20 CHED N#CC1(CN[C@@H]2CC3(CCC3)Oc3ccccc32)CCC1 903030728 FDMSCFYIUNBWAM-OAHLLOKOSA-N 282.387 3.716 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cnccc1C(F)(F)F 906119518 DEUYEESSLBDJBF-SECBINFHSA-N 272.270 3.641 30 20 CHED N#CCCCCOC(=O)CSc1ccc(Cl)cc1 912956755 WLPKZCDIQBRZFN-UHFFFAOYSA-N 283.780 3.669 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1ccc(Cl)cc1 915970713 KTABODRERLJKTI-UHFFFAOYSA-N 274.755 3.583 30 20 CHED Oc1ccc(Br)cc1/C=N\Cc1ccsc1 915980571 USPWGQBVLWSAHN-AUWJEWJLSA-N 296.189 3.835 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(F)c(Cl)c1 915988684 BKLIJIZAOFOOMM-GQCTYLIASA-N 278.714 3.715 30 20 CHED Cc1nc2ccccn2c1C=NNc1ccccc1Cl 916262505 NZHKWBBQCIIGTC-UHFFFAOYSA-N 284.750 3.742 30 20 CHED CC(=NNc1cccc(Cl)c1)c1ccc2c(c1)OCO2 916269317 GFPJDDMBLRXNDA-UHFFFAOYSA-N 288.734 3.905 30 20 CHED CC(CCc1ccc(F)cc1)=NNCc1ccccc1 917540253 LNBORMZEYWZRAM-UHFFFAOYSA-N 270.351 3.924 30 20 CHED CC[C@@H](NC(=O)N1CCC[C@H](C#N)C1)c1cc(C)ccc1C 923457718 KBIYSYGWYODBPA-NVXWUHKLSA-N 299.418 3.700 30 20 CHED C=C(CC)COC(=O)c1ncc(C(F)(F)F)cc1Cl 924266765 FWWJQKUZUVVVNO-UHFFFAOYSA-N 293.672 3.877 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CCCOc2ccc(F)cc21 924827532 UGURCZCOIKNYMO-DOMZBBRYSA-N 290.382 3.957 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cccc(OC(C)(C)C)n1 925671804 RBITVFUETBGUQB-CYBMUJFWSA-N 289.423 3.677 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCOc2cc(F)ccc21 925972353 FNWOUCSBJMNZFX-IUODEOHRSA-N 290.382 3.957 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1ncco1)c1ccc(F)c(F)c1 926205057 CIHTVWXNRLAVST-QMTHXVAHSA-N 278.302 3.921 30 20 CHED CC(C)(CC(=O)N1CCC[C@@H](C#N)C1)C1CCCCC1 928217075 JPJBCEZAHHUJDJ-AWEZNQCLSA-N 276.424 3.745 30 20 CHED C[C@@H](NCCCCC1(C#N)CCC1)c1c(F)cncc1F 930475012 YNCXOWSPXJVGPN-GFCCVEGCSA-N 293.361 3.875 30 20 CHED N#CC1(CCCCN2CCC3(CC2)CC3(F)F)CCC1 930854162 RWWCYTQXIVJZDZ-UHFFFAOYSA-N 282.378 3.972 30 20 CHED C=C[C@H](CC)CC(=O)NC1(c2nccs2)CCCC1 932980328 WCKKODQMLQRXGM-GFCCVEGCSA-N 278.421 3.631 30 20 CHED C=C[C@H](COC)NC(=O)c1ccc(C(C)(C)C)c(Cl)c1 1117680190 VZJWRZBBGROPQA-GFCCVEGCSA-N 295.810 3.568 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccnc2ccccc12 1121176626 SFPGIOKHUZWXNT-AWEZNQCLSA-N 280.371 3.806 30 20 CHED C#CC[C@H](OC(=O)[C@@H](C)c1ccccc1C)c1ccccn1 1122695221 TZWYFIWZKCXCES-YJBOKZPZSA-N 293.366 3.801 30 20 CHED N#CCc1cccc(NC(=O)Cc2cc3ccccc3o2)c1 1129088448 HSFDOYDCGFBGBP-UHFFFAOYSA-N 290.322 3.680 30 20 CHED Cc1ccnc(N(Cc2ccc(F)cc2)CC2CC2)c1C#N 1162515937 RWWBCEIEJXMOOC-UHFFFAOYSA-N 295.361 3.817 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(CC2(CC#N)CC2)C1 1167465490 WWBWSVMGRSGLBO-HZPDHXFCSA-N 268.404 3.867 30 20 CHED CC[C@@H]1CCC[C@@H]1CNCc1ccc(C#N)c(C)c1 1202458049 YSUSUKUROWMNGH-NVXWUHKLSA-N 256.393 3.783 30 20 CHED Cc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)cc1F 1258719414 WELCYJSYIQLLJA-UHFFFAOYSA-N 279.274 3.723 30 20 CHED N#Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CCC2)cs1 1261253435 CPTXYUIKFYGQFX-INIZCTEOSA-N 296.395 3.891 30 20 CHED C=CCC1(c2nnc(-c3c(C)nc4ccccn34)o2)CCC1 1261430837 CVIIRMQIKAQBFP-UHFFFAOYSA-N 294.358 3.691 30 20 CHED CN(c1ccc(C#N)cn1)[C@@H]1CCC[C@H]1c1ccccc1 1307138982 KJQYTSJVDXTHBY-DLBZAZTESA-N 277.371 3.726 30 20 CHED CC(C)(C)ON=Cc1cccc(-c2ccccn2)c1 1319576813 IIYYKDUTODWGLW-UHFFFAOYSA-N 254.333 3.898 30 20 CHED Fc1ccc(CNN=Cc2ccccc2C(F)(F)F)cc1 1319751274 JUDPTZAGLMAXDG-UHFFFAOYSA-N 296.267 3.968 30 20 CHED C=C[C@@H](COC)NC(=O)Nc1ccccc1SC(C)C 1320427421 YPDOKSXVVVMWKH-LBPRGKRZSA-N 294.420 3.510 30 20 CHED C[C@@H]1CCC[C@H](c2nnc(-c3ccc(C#N)cc3)o2)C1 1322501459 AICBMRDXWSCXNZ-RISCZKNCSA-N 267.332 3.902 30 20 CHED C#CCCCNC(=O)c1ccc(-c2cccs2)s1 1326225620 XNYKHLYJNIGZLO-UHFFFAOYSA-N 275.398 3.620 30 20 CHED CCc1nocc1C=NNc1ccc(C)c(Cl)c1 1326226576 ADNKEAFQLMXPDS-UHFFFAOYSA-N 263.728 3.645 30 20 CHED CCCC1(C(=O)OCc2ccc(C#N)s2)CCC1 1326839140 OCUFHIHHSRLZLB-UHFFFAOYSA-N 263.362 3.633 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C(=O)O)c1ccccc1Cl 1330544927 NVBDPBSHDXLAMW-ZOWXZIJZSA-N 291.778 3.649 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(CC)[C@H](C)C#N 1331284344 ZBZJANOZENDZOC-ZIAGYGMSSA-N 252.402 3.744 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC(c2cc(C)ccc2C)CC1 1333588464 WSGSKCITOSNXIB-LJQANCHMSA-N 298.430 3.949 30 20 CHED Cc1c(Cl)cccc1C(=O)[C@H](C#N)c1cccc(F)n1 1343347953 BMVIMIUYNCYTJD-LLVKDONJSA-N 288.709 3.673 30 20 CHED Cc1c(C#N)cccc1C(=O)OC[C@@H]1CCC2(CCCC2)O1 1344668050 DUUSDZNSKIWWOM-HNNXBMFYSA-N 299.370 3.515 30 20 CHED CC(C)Cc1ncc(C(=O)O[C@@H](C)CC(C)(C)C#N)s1 1345424417 ZEASPQCWACDSLN-NSHDSACASA-N 294.420 3.827 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CC(C1CC1)C1CC1 1347523234 VXAINPPWPBNYHS-OAHLLOKOSA-N 261.409 3.770 30 20 CHED CCC[C@H](NC(=O)CC#Cc1ccccc1)C(C)(C)C 1348312914 KFEHFIXSDZTAPR-INIZCTEOSA-N 271.404 3.759 30 20 CHED N#Cc1ccsc1C(=O)Nc1ncc(Cl)cc1Cl 1353054866 SQJOGJMPWXZXGU-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#N)cc1F 1354853679 WHJNQNBDCJFXJP-BLLLJJGKSA-N 288.366 3.738 30 20 CHED C[C@H](C#N)Sc1ncc(-c2ccc(Cl)cc2)[nH]1 1459292954 WOBGUFNJGPKOKT-MRVPVSSYSA-N 263.753 3.734 30 20 CHED CC(C)C(C)(C)NCc1cc(C#N)ccc1Br 1461615336 HUQXEQCWODJCBD-UHFFFAOYSA-N 295.224 3.845 30 20 CHED CC1(C)CC(NCc2cccc(C#N)n2)CC(C)(C)C1 1462002278 RAXBRNJRGNUYSI-UHFFFAOYSA-N 271.408 3.648 30 20 CHED N#Cc1cc(C(=O)Nc2ccccc2C(F)F)ccc1F 1526168503 MWLFPYYJZCXRNB-UHFFFAOYSA-N 290.244 3.887 30 20 CHED C=C(CNC(=O)[C@@H](C)c1ccccc1C)c1ccccc1 1527585506 MICKJMYOMVXDTF-INIZCTEOSA-N 279.383 3.928 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(O)c1 1527645862 ACVCDKVYFLGAQJ-ZFWWWQNUSA-N 288.391 3.593 30 20 CHED Cc1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)c(C)c1 1540434443 JDQSNNAOZVJYGH-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(Cl)cc1SC 1563049901 JTJZPFJLZWBYDR-UHFFFAOYSA-N 291.203 3.936 30 20 CHED Clc1ccccc1C#CCN1CCNc2ccccc21 1579938722 JXYWVPLCBNUJKC-UHFFFAOYSA-N 282.774 3.624 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)cc2F)c2ccccc21 1587584357 WYFZFBPPFGBTIM-UHFFFAOYSA-N 294.329 3.635 30 20 CHED C=C(C)C[C@H](NC(=O)[C@@H](CC)CC1CCCCC1)C(=O)O 1588537359 NMKNJUXUBQJYQP-GJZGRUSLSA-N 295.423 3.519 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1F 1596289177 RNGULAVAGQLZQD-UHFFFAOYSA-N 280.302 3.827 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1c(C#N)cccc1C#N 1642275583 WGKVCYOHGXJCRZ-TYNCELHUSA-N 253.349 3.667 30 20 CHED CCc1nc(C#N)cc(NCCC(C)(C)c2ccccc2)n1 1650666490 JOJKLCXCNIIYBY-UHFFFAOYSA-N 294.402 3.690 30 20 CHED Cc1cc(Nc2ccc(OCC3CC3)cc2)ncc1C#N 1650747743 XCFBBVGBHHHZFB-UHFFFAOYSA-N 279.343 3.794 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 1653416181 COTZVTONIXNGQI-HNNXBMFYSA-N 274.383 3.955 30 20 CHED Cc1ccc(CN2CCc3c(C#N)cccc32)cc1C 1654788677 ARTJEIZNLUHDEU-UHFFFAOYSA-N 262.356 3.738 30 20 CHED O=C(O)c1ccccc1NN=C1C[C@@H]2CCCC[C@@H]2C1 1776031557 MTRXWZSVFUFZBF-TXEJJXNPSA-N 272.348 3.753 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1C(=O)O 1776131692 ZCQZHBAXMKVKAA-WTKPLQERSA-N 284.286 3.728 30 20 CHED C=Cc1ccc(/C=C\C(=O)c2ccc(C(=O)O)cc2O)cc1 1776194505 OMXONMBDHCOINR-YFHOEESVSA-N 294.306 3.630 30 20 CHED CC/C(=N\c1cccc(Br)c1)S[O] 1857775866 OXXJWUZPINSBIL-PKNBQFBNSA-N 259.148 3.968 30 20 CHED CC(C)(C)OC(=O)CCCCB1OC(C)(C)C(C)(C)O1 2048534984 GWCIBQSFXFJZDM-UHFFFAOYSA-N 284.205 3.591 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Cl)nc2ccccc12 36723397 LCWZPCXBOVOWLL-UHFFFAOYSA-N 288.778 3.926 30 20 CHED C[C@@H]1C[C@H](NCc2cccc(C#N)c2)CC(C)(C)C1 37748746 DAZUKJZEJPAFAT-CJNGLKHVSA-N 256.393 3.863 30 20 CHED N#Cc1ccc(Oc2ncccc2Br)cc1 42376390 QOVXWYKCZHJVQN-UHFFFAOYSA-N 275.105 3.508 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 42976778 JWUHIQOWEKAVLQ-UHFFFAOYSA-N 280.371 3.589 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)s1 48521040 BZMVIVDEXHUEMB-WAYWQWQTSA-N 270.353 3.888 30 20 CHED C=CCNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 57381271 ZLYWFTYZLWNJIG-SNVBAGLBSA-N 271.282 3.501 30 20 CHED COc1ccc(C(=O)/C=C/c2ccccc2F)cc1F 57645226 LYSTZYCCJZIEBR-SOFGYWHQSA-N 274.266 3.870 30 20 CHED CCCOc1ccc(COC(=O)C2(C#N)CCCC2)cc1 66546035 XMTIGLGFGCGEHF-UHFFFAOYSA-N 287.359 3.603 30 20 CHED CC(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 71029227 NPCOROIABDQKTL-OAHLLOKOSA-N 274.383 3.955 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)c2sccc2C)cc1 72614351 ZZCBHQLPCWONTJ-VMPITWQZSA-N 285.368 3.911 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(-c2ccc(CC)cc2)o1 79867402 OQVCOKBSPJHFEN-OAHLLOKOSA-N 296.370 3.931 30 20 CHED Cc1cc2cc(C(=O)N[C@@H](C#N)CC(C)C)oc2cc1C 79920749 VMZLBHDJSVWSOW-CQSZACIVSA-N 284.359 3.718 30 20 CHED C[C@@H](N(C)Cc1ccc(N(C)CCC#N)cc1)C1(C)CC1 91900742 GUVZZMVBBILRGO-OAHLLOKOSA-N 285.435 3.657 30 20 CHED Cn1cc(/C=C/C(=O)c2cccc(F)c2)c(C(C)(C)C)n1 93901689 PMNPYPGQFAOLOQ-CMDGGOBGSA-N 286.350 3.753 30 20 CHED N#Cc1cccc(CNc2cccc3ccncc23)c1 94966739 AELJXVHKXWKGPY-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 98029810 KLUGVFWPCYVJOV-ZIAGYGMSSA-N 288.391 3.761 30 20 CHED C=CCCC(=O)N(C)[C@H](C)c1ccccc1Cl 102226612 TZJQOYFUABSDJA-LLVKDONJSA-N 251.757 3.826 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1sc(C)nc1C 104544941 GGGYIQKLVOEWII-UHFFFAOYSA-N 293.436 3.552 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(F)cc1OCC 105005556 OEFHFYGGOMVYFK-UHFFFAOYSA-N 280.343 3.654 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)CCc2ccccc2)c(C)o1 110843169 LQPSQGUWBZYMJD-SFHVURJKSA-N 296.370 3.541 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccnc2)c1 113952604 VTJRPCGJRLUUIL-PBHICJAKSA-N 295.386 3.613 30 20 CHED C#CCCCCC(=O)N(Cc1ccc(F)cc1F)C1CC1 119562618 ORIMDQUAYCFBDO-UHFFFAOYSA-N 291.341 3.649 30 20 CHED C=CCC[C@H](NC[C@H](c1ccco1)N1CCCC1)C1CC1 119811044 XSDCFBHBYKKXBF-DLBZAZTESA-N 288.435 3.751 30 20 CHED Oc1nc2ccccc2cc1/C=N/CC1CCCC1 122269534 BSDILFHKGPIFSI-GZTJUZNOSA-N 254.333 3.550 30 20 CHED CC[C@@](C)(C#N)NC(=O)/C(C)=C/c1cccc(Cl)c1 123122592 CFCYGQGANPVRAP-SHQCLWGWSA-N 276.767 3.552 30 20 CHED CC[C@H](C#N)Sc1nnc(NCc2ccccc2)s1 127075665 LUDQNBSOZXNOEH-LLVKDONJSA-N 290.417 3.544 30 20 CHED C=C(Br)CN[C@@H](C)c1ccc(SC)cc1 128661149 SUUDYYHPQDAGPT-JTQLQIEISA-N 286.238 3.968 30 20 CHED COc1ccccc1CN[C@H](CCC#N)c1ccccc1 130517805 GYLKLWSOJHROHR-QGZVFWFLSA-N 280.371 3.830 30 20 CHED C=C(Cl)CNC(=O)c1cc(SC)ccc1Cl 134818801 LDPUZYLKWAMHOY-UHFFFAOYSA-N 276.188 3.544 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)c1cccs1 152874145 RIBZZIHUABADPW-LLVKDONJSA-N 270.357 3.670 30 20 CHED C[C@H](CC(=O)N(C)CCC#N)c1ccccc1C(F)(F)F 161622959 ZGEQNMZQZMPRLI-LLVKDONJSA-N 298.308 3.571 30 20 CHED CCCCCCCCC(=O)Nc1ccc(C)c(C(N)=O)c1 171280066 USGOFYFDJTWNAV-UHFFFAOYSA-N 290.407 3.783 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cc(F)cc(F)c1 172368669 VBIMZZJGKWDDHZ-UHFFFAOYSA-N 296.361 3.853 30 20 CHED N#C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)C1CC1 176064587 QBCWQANJEPDIED-SQNIBIBYSA-N 291.350 3.789 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1F 176576368 USSDVHILZCJBKT-LRDDRELGSA-N 288.366 3.518 30 20 CHED Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1C 178384797 NVZKOCSMORQUJP-UHFFFAOYSA-N 264.328 3.736 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccccc1O 179570507 HLBCTBOZYOAQKU-UHFFFAOYSA-N 260.381 3.544 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2C(F)(F)F)cnn1C 179859363 VAYHUKSSZRBNLM-BQYQJAHWSA-N 294.276 3.643 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 181171673 BFDXHTAQVWJGQG-IAGOWNOFSA-N 286.419 3.615 30 20 CHED C=CCC[C@@H](NC(=O)c1cnn(CCC)c1)c1ccccc1 181447468 XGUPQEWAEWUMHM-QGZVFWFLSA-N 297.402 3.730 30 20 CHED Cc1cnc(C(C)(C)N[C@@H](C)c2ccc(C#N)cc2)s1 182451420 UOAVZPHGZOFKAF-LBPRGKRZSA-N 285.416 3.909 30 20 CHED C=CCCCC(=O)Nc1cc(C)cc(Br)c1O 182932653 UHNVAUSVKBBIJM-UHFFFAOYSA-N 298.180 3.758 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)[C@@H]2CCCC[C@H]12 182945891 SCOCAWLDCREQEZ-IAOVAPTHSA-N 297.402 3.795 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(C)c([N+](=O)[O-])c2)c1 184769777 BRBKZBKSUDVMKX-AATRIKPKSA-N 282.299 3.503 30 20 CHED C=CC[C@H](C)NC[C@@H](C)Cc1ccc(OC)c(F)c1 185291818 UJJSZRNQKXMXSA-STQMWFEESA-N 265.372 3.567 30 20 CHED C[C@H](SCCCOc1cccc(C#N)c1)c1cnccn1 185572321 QMMDCNQTOOJALH-ZDUSSCGKSA-N 299.399 3.612 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C1CCSCC1 187533558 ANXNVAMSSQFMQP-STQMWFEESA-N 290.432 3.921 30 20 CHED C[C@H](NCC[C@](C)(O)c1ccccc1)c1cccc(C#N)c1 187893356 LWWCVSPYSGOKLN-KXBFYZLASA-N 294.398 3.507 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1ccccc1Cl 187962374 IFZMACGCKJKGKK-MLGOLLRUSA-N 295.810 3.746 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NC[C@H](CC)c1ccccc1 188024931 HFIHBZDSQRWYOD-YJBOKZPZSA-N 289.419 3.525 30 20 CHED COc1ccc(OCCCCC(C)(C)C#N)c([N+](=O)[O-])c1 234863453 BMIHQTURRASKBF-UHFFFAOYSA-N 292.335 3.702 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]3CCCC[C@@H]32)c1Cl 236029064 NRTMNMHBIOHORD-AAEUAGOBSA-N 275.783 3.766 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)C1 246551222 KVJVYBPRPSUFJP-MCIONIFRSA-N 295.386 3.576 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1c(F)cccc1F 248024223 VNYACKWOSVNJBX-UHFFFAOYSA-N 293.338 3.855 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@H](CCC#N)c1ccccc1 248917062 DHMBGNGAIVTJHG-DJIMGWMZSA-N 284.403 3.974 30 20 CHED CC(=N/N=C(\S)Nc1ccccc1)c1ccc(O)cc1 254395112 JZBIOJLCXVTMDP-UHFFFAOYSA-N 285.372 3.514 30 20 CHED CC(C)Oc1ccc(NC(=O)/C=C\c2ccco2)cc1C#N 255279285 LFJBNURRFZVGGP-VURMDHGXSA-N 296.326 3.590 30 20 CHED C=CCC1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCC1 262754431 ACLXVGLVKUWDQO-UHFFFAOYSA-N 299.326 3.816 30 20 CHED C[C@@H](CN(C)C(=O)C1(C#N)CCCCC1)c1ccccc1 263844727 HNHWVPNUPKBMBI-HNNXBMFYSA-N 284.403 3.723 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)/C=C/c1cc2ccccc2o1 267184104 CDXASOIJMFGHDU-XVJNWHFHSA-N 282.343 3.500 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Cl)c(Cl)c1 267275238 TXEIBSOCYQLSDO-NSHDSACASA-N 285.174 3.661 30 20 CHED C[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 267749432 IGRWDRCWNCLILH-VIFPVBQESA-N 297.280 3.593 30 20 CHED N#CCCCCN[C@H]1CCCC[C@@H]1c1ccccc1 268898090 LWANPWSKBCIMIE-SJORKVTESA-N 256.393 3.996 30 20 CHED C#CCCCCC(=O)OCc1csc(C(C)(C)C)n1 271612221 VLXMDJVWZQRFJN-UHFFFAOYSA-N 279.405 3.677 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1cccc(Cl)c1 274383634 ZATABFFMZZBKHC-MEDUHNTESA-N 292.810 3.888 30 20 CHED CCCCOc1ccc(C(=O)NCCCC#N)c(Cl)c1 274611737 KGJQRSGZFVRDCY-UHFFFAOYSA-N 294.782 3.552 30 20 CHED CCCN(C(=O)CC#N)[C@@H](C)c1cc2ccccc2o1 274675704 YYCCZKBRGIRJLY-LBPRGKRZSA-N 270.332 3.646 30 20 CHED CC(C)c1ccc(-c2noc(C3(C#N)CCCCC3)n2)cn1 277928041 JZCVTBNMDXXRCQ-UHFFFAOYSA-N 296.374 3.980 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H]2CC[C@@H](C#N)C2)C1 278656522 QCXRGGUWCJTSPM-YLFCFFPRSA-N 268.404 3.865 30 20 CHED Cc1c(NCCCC(C)(C)C#N)cnn1-c1ccccc1 279368381 LGWFBOAJXNHQPM-UHFFFAOYSA-N 282.391 3.923 30 20 CHED CC(C)c1occc1C(=O)N(C)Cc1ccc(C#N)cc1 279980222 KRDMBPSLQZDOEN-UHFFFAOYSA-N 282.343 3.547 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1 282489103 IYJGYYUWFQDNJK-SMDDNHRTSA-N 292.329 3.561 30 20 CHED C#Cc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 289270481 NLQJZLFIFIIYTQ-UXHICEINSA-N 291.394 3.678 30 20 CHED C=CC[C@H](C(=O)Nc1nc(C2CC2)c[nH]1)c1ccccc1 289429993 SUYQJQOMRLUAOG-AWEZNQCLSA-N 281.359 3.586 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(F)c1Cl 290164607 PQIOTVFQSYRFGR-CQSZACIVSA-N 285.746 3.646 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C)n(C2CCCCC2)n1 290992713 XMOABJWPBLZCJG-MRXNPFEDSA-N 288.395 3.575 30 20 CHED CC[C@H](C)Oc1ccc(-c2noc(CCCC#N)n2)cc1 291146265 YWJCXPBZHMVZLM-LBPRGKRZSA-N 285.347 3.760 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(CCCC)cc1 292925973 YFJKYFDRMWCTLE-UHFFFAOYSA-N 285.391 3.963 30 20 CHED CCSc1cccc(-c2noc(CC(C)(C)C#N)n2)c1 293104030 UAFQTFHAMWHLIB-UHFFFAOYSA-N 287.388 3.941 30 20 CHED CCCCN(Cc1ccccc1O)[C@H]1CC[C@H](C#N)C1 294248416 UKGSVPBVUGVDAX-HOCLYGCPSA-N 272.392 3.687 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCCC1(F)F 294577803 BHNMJIFYWLPKNI-LBPRGKRZSA-N 278.302 3.631 30 20 CHED C=CC(C)(C)c1nc([C@H]2CSc3ccccc3O2)no1 296711027 IEQALZXLSGIITG-LLVKDONJSA-N 288.372 3.759 30 20 CHED CC#CCN(C)C(=O)Nc1cc(C(F)F)ccc1Cl 297101506 NWOGIZGWERGFGX-UHFFFAOYSA-N 286.709 3.765 30 20 CHED CC(=O)Nc1ccccc1CNc1ccc(C#N)cc1Cl 300438477 POWRHRUIRAHHDD-UHFFFAOYSA-N 299.761 3.782 30 20 CHED Cc1ccc(CSc2nccc(C#N)c2[N+](=O)[O-])cc1C 301630996 CONQSHYXXFKOSF-UHFFFAOYSA-N 299.355 3.771 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1snc(Cl)c1C#N 301728648 WGMLRGQLTVSHCJ-ZJUUUORDSA-N 299.827 3.674 30 20 CHED CN(Cc1ccccc1)c1ccc2cc(C#N)ccc2n1 301813114 HRRVKROEKPQYEG-UHFFFAOYSA-N 273.339 3.743 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@@H](C#N)C1CCCCC1 308082318 AJAYNSVTAIQDFR-ZFWWWQNUSA-N 264.413 3.647 30 20 CHED C=C[C@@H](C)N[C@@H](C)Cc1ccc(F)cc1Br 309569024 NBKCOLCLSIRONI-ZJUUUORDSA-N 286.188 3.683 30 20 CHED C[C@H]1C[C@H](C)N(c2cc(Br)c(C#N)cc2F)C1 310123677 FFTRXZWOIUSOLX-IUCAKERBSA-N 297.171 3.695 30 20 CHED C=CCSCCNc1cc(C)c2ccccc2n1 310836107 ZUAYCEJTZQJEMB-UHFFFAOYSA-N 258.390 3.874 30 20 CHED C=CCCCCCCN[C@@H]1CCO[C@H](C(F)(F)F)C1 312081096 TWMQVSPDMCYSOJ-OLZOCXBDSA-N 279.346 3.822 30 20 CHED CCS[C@@H]1CCC[C@H](/N=C(/O)[C@H]2CCCC(O)=N2)C1 328838254 YDXLGRZVDVXTFY-QJPTWQEYSA-N 284.425 3.516 30 20 CHED CC(C)[C@@H]1C[C@H]1/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C 329309989 ZHGGTEGAPIQQNA-FMCLSXCISA-N 280.412 3.769 30 20 CHED Cc1cnc(N=C(O)N2CC[C@@H](C)C3(CCCCC3)C2)o1 329644317 ZBFBANIVPJMOTR-GFCCVEGCSA-N 291.395 3.821 30 20 CHED OC(=Nc1csc(-c2ccccn2)n1)[C@H]1CCCS1 329652677 LEHADNGDZHSUNK-SNVBAGLBSA-N 291.401 3.689 30 20 CHED C[C@H](/N=C(/O)c1c[nH]c2cccnc12)[C@@H]1C[C@H]2CC[C@H]1C2 329883868 RPSYLCUCRGRSEY-CYDGBPFRSA-N 283.375 3.692 30 20 CHED COc1cc(Cl)ccc1C/N=C(/O)N[C@@H]1CC[C@H](C)C1 331217813 GPTDZPWTMJERHZ-GXFFZTMASA-N 296.798 3.541 30 20 CHED CC1(C)CC[C@@H](C(=O)Nc2nc3c(cc2C#N)CCCC3)C1 332117951 DEYLJJSKPQBCOB-CYBMUJFWSA-N 297.402 3.597 30 20 CHED C[C@@H](NC(=O)N[C@H]1CC12CCCCC2)c1ccc(C#N)cc1 332810041 VVNLLVFWKLSSJG-CJNGLKHVSA-N 297.402 3.641 30 20 CHED Cc1cc(F)cc2c1CN(Cc1ccc(C#N)cc1F)CC2 337431678 ZEVJUNGGLZXJDJ-UHFFFAOYSA-N 298.336 3.703 30 20 CHED Cc1ccc(F)c(CN(C)C(=O)c2cccc(C#N)c2C)c1 338036042 OMCXHAQCWYNUNF-UHFFFAOYSA-N 296.345 3.586 30 20 CHED Cc1ccc([C@@H]2CCCN2c2cccc(C#N)n2)cc1 339220849 ULQBQXPKEWWGNW-INIZCTEOSA-N 263.344 3.603 30 20 CHED C=Cc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 340363935 RUUAVRUFLBYOGR-CYBMUJFWSA-N 268.341 3.585 30 20 CHED Cc1cc(NCCCO[C@@H](C)c2ccccc2)cc(C#N)n1 341396709 YTXKIHBMEZGAGX-HNNXBMFYSA-N 295.386 3.842 30 20 CHED N#CCCCSc1nccn1-c1ccc(Cl)cc1 341694436 HZRXPOXOFAEGJD-UHFFFAOYSA-N 277.780 3.922 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)C(=O)[C@@](C)(C#N)CC 345873776 FGDBBBHFXIQVHQ-WMLDXEAASA-N 288.391 3.545 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cnc(C(C)(C)C)s1 345888715 PTCSKBUHUBZXJJ-UHFFFAOYSA-N 293.436 3.500 30 20 CHED C=CCOc1cccc(NC(=O)c2cc(C)oc2C)c1 347155894 LNJUQRDJUJBHED-UHFFFAOYSA-N 271.316 3.714 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCCNc2ccccc21 348229663 PGLNKIJDKHNELX-INIZCTEOSA-N 271.408 3.853 30 20 CHED CC[C@H](CC#N)N[C@H](C)CCc1ccc(F)cc1F 348259219 DJURXFPCHDPEQY-BXUZGUMPSA-N 266.335 3.568 30 20 CHED COc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)ccn1 348751134 DNCVSEXECJQRNO-VXGBXAGGSA-N 299.349 3.513 30 20 CHED N#Cc1ccc(=N[C@H]2CC=C(c3ccc(F)cc3)CC2)[nH]c1 349895127 PUQMZEXZPSZCRU-KRWDZBQOSA-N 293.345 3.562 30 20 CHED C=CCCC(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C 351678639 JWMAWAZXGDQARH-AWEZNQCLSA-N 283.375 3.706 30 20 CHED COc1c(CNCc2cc(C#N)cs2)oc2ccccc12 353180782 IMSGENIHNPERIO-UHFFFAOYSA-N 298.367 3.664 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cc(C)nc(N2CCCC2)c1 353662446 RJIUDRKJGDGYIN-ZBFHGGJFSA-N 287.451 3.681 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(C)(C)C1 354088359 ONHSNUIMWRYTTO-CYBMUJFWSA-N 285.391 3.755 30 20 CHED C=CCCC1(C(=O)Nc2nc(C(C)C)cs2)CC1 355039939 POSUFYOGWHZSDV-UHFFFAOYSA-N 264.394 3.951 30 20 CHED C=C(C)COc1cc(CN2CC[C@](C)(F)C2)ccc1OC 355350707 DBCTWRCDWODESG-KRWDZBQOSA-N 293.382 3.584 30 20 CHED CN(Cc1ccc(C#N)cc1F)[C@@H]1CCC(C)(C)C1 355577048 CUYNJHOBRAGCRI-CQSZACIVSA-N 260.356 3.708 30 20 CHED C=CCSc1ccccc1C(=O)Nc1scnc1C 355963838 VGKMNWAOYCWFRX-UHFFFAOYSA-N 290.413 3.982 30 20 CHED N#Cc1ccc(NCCn2cnc3ccccc32)cc1Cl 357231486 ZYDGGCIHQZRJEZ-UHFFFAOYSA-N 296.761 3.673 30 20 CHED CC(C)n1ccnc1SCc1ccc(C#N)cc1 357479286 FFDZIFWRYCMLBZ-UHFFFAOYSA-N 257.362 3.628 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H]1C(C)C 359119446 YNDNBNNPRPSVMY-HNNXBMFYSA-N 288.439 3.747 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(C)[C@@H]1CC[C@@H](C)C1 359257930 XFYYWWXASVJINL-UKRRQHHQSA-N 288.439 3.747 30 20 CHED Cc1nc(NC(=O)[C@H](C)C(C)(C)C)sc1SCC#N 359691953 CAZIJPJXEJSBCA-QMMMGPOBSA-N 297.449 3.688 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(CCC(F)(F)F)no1 361009026 IQGAYEWXJHARNU-SECBINFHSA-N 295.264 3.588 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)C1(C)C 361624284 YKZMUAZHRXMOGD-CHWSQXEVSA-N 293.798 3.611 30 20 CHED C=CCSc1ccccc1C(=O)N(C)[C@H]1CCSC1 362123305 OFPHXUJXFQTVEC-LBPRGKRZSA-N 293.457 3.542 30 20 CHED Cc1ccc(CCC(=O)Nc2ccccc2CC#N)s1 362194145 AAWRHZVJICCSFG-UHFFFAOYSA-N 284.384 3.694 30 20 CHED N#CCC[C@@H](NC(=O)N1CCC[C@@H]1C1CC1)c1ccccc1 372180507 NKRYRFBJQMQKQD-IAGOWNOFSA-N 297.402 3.615 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccccc1O 374267145 DGKNPZFFPBRVSL-ZWKOTPCHSA-N 292.382 3.664 30 20 CHED C=CCC[C@H](N[C@@H]1CCN2CCC[C@@H]2C1)c1ccco1 375887851 JVUXOKPXNRVBIG-OAGGEKHMSA-N 274.408 3.503 30 20 CHED C=CCCCN(C)Cc1c(C(=O)O)oc2ccccc12 382473864 FNESIGFENXFQRB-UHFFFAOYSA-N 273.332 3.529 30 20 CHED C=C(C)CCNCc1ccc(CSC(F)F)o1 386864453 JXNJCILYCYYFQE-UHFFFAOYSA-N 261.337 3.791 30 20 CHED COc1ccc(CNc2cccc3ccncc23)cc1C#N 387884327 FCYIVAJDHLLVMG-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 409581572 UUSZMZFUJBYSEW-OCCSQVGLSA-N 271.364 3.506 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1ccc(SCC)cc1 410134815 KLMAPBQFWZFEPP-CQSZACIVSA-N 277.433 3.812 30 20 CHED CCCCC(=O)Nc1ccc(Cl)cc1CC#N 410966634 LDBOPUHCJZLDLO-UHFFFAOYSA-N 250.729 3.535 30 20 CHED COC[C@@H](NCCC1(C#N)CCCCC1)c1ccc(C)o1 411512684 MRVSEFPEXJALQY-OAHLLOKOSA-N 290.407 3.729 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cccnc1C 414542728 YOWGULHQYSHJKI-GOSISDBHSA-N 266.388 3.667 30 20 CHED N#CC1(CSCc2ccc(-n3cccn3)cc2)CCC1 419347959 ACVFLVHVNAOYGP-UHFFFAOYSA-N 283.400 3.799 30 20 CHED Cc1ccccc1[C@H](Nc1cncc(C#N)n1)C(C)(C)C 420593551 BZHJQANEFGHYQV-INIZCTEOSA-N 280.375 3.856 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CC[C@@H](Cc3ccccc3)C2)C1 424192189 IQUBLRWFILIFIZ-MHORFTMASA-N 268.404 3.680 30 20 CHED N#Cc1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1 432438592 AYYNQZIEHOYKTJ-UHFFFAOYSA-N 285.709 3.835 30 20 CHED C=CCN(CCOC)Cc1ccc(F)c(Cl)c1Cl 432928934 OQQMJVXMTRRRKQ-UHFFFAOYSA-N 292.181 3.767 30 20 CHED C[C@H](CNc1c(C#N)cccc1C#N)c1ccc(F)cc1 436314765 YYZOOHHNIDXDIJ-GFCCVEGCSA-N 279.318 3.785 30 20 CHED C=C(C)CN(CC)Cc1ccc(C#N)cc1OC(F)F 437400979 SESYXTDXFZHRKJ-UHFFFAOYSA-N 280.318 3.558 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cc(C#N)cs1 437572588 YHHDFEULQGNDPV-ZIAGYGMSSA-N 290.432 3.954 30 20 CHED CCCN(CC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438637928 VJGBRCXKEQQTDX-UHFFFAOYSA-N 299.296 3.841 30 20 CHED COc1cccc(OCCSc2ccccc2C#N)c1 443520548 ZSDHUHZGWMAZCO-UHFFFAOYSA-N 285.368 3.738 30 20 CHED Cc1ccc(CNCc2ccc(C#N)c(C)c2)s1 443957403 JERMINFOZARTTI-UHFFFAOYSA-N 256.374 3.526 30 20 CHED C=C(C)COCCNCc1cc2ccccc2cc1OC 449183301 FLTHAFSJCLTSBC-UHFFFAOYSA-N 285.387 3.531 30 20 CHED Cc1cc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)ccc1F 449372106 CIPQQRQXNBDSJI-VNHYZAJKSA-N 260.356 3.867 30 20 CHED C=CCC1(C(=O)NCc2ccc(COC)cc2)CCCC1 449520015 DTRBDAHJBSSJTC-UHFFFAOYSA-N 287.403 3.586 30 20 CHED C[C@@H]1CSc2ccccc2N1CC1(C#N)CCC1 450577919 GGQGBWNMGJFHMK-GFCCVEGCSA-N 258.390 3.681 30 20 CHED C=CC(C)(C)c1nc([C@@H](C)c2ccccc2C)no1 453151018 ABOSQBDEZKATFA-LBPRGKRZSA-N 256.349 3.993 30 20 CHED C=CCOc1cccc(CNCCOC(C)(C)CC)c1 453616617 PTUNWKMKJNBFCZ-UHFFFAOYSA-N 277.408 3.546 30 20 CHED CC(C)[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)[C@H]1C(C)C 454339487 DKZWQWFCYVQOSC-SJORKVTESA-N 299.418 3.897 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 454340101 BUNZMVBOJZRWMN-STQMWFEESA-N 287.407 3.743 30 20 CHED CC(C)[C@@H]1C[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 454716466 NSRBSGKKNOCPCE-YESZJQIVSA-N 299.418 3.623 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C#N)cc1Cl 454985691 JCJZCNUJSRMZAP-UHFFFAOYSA-N 277.755 3.545 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1=CCC(C)(C)CC1 455175525 FZZCJJOQYQFOEB-UHFFFAOYSA-N 268.360 3.942 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1CF 455388478 VDYUOTWDWUZPPS-CQSZACIVSA-N 276.355 3.771 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1OCCF 455727303 WGKFPCJHWYAUSC-CYBMUJFWSA-N 294.370 3.901 30 20 CHED C=C(C)CCNC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 457579118 SLOQANBGVZSDEP-INIZCTEOSA-N 272.392 3.712 30 20 CHED CN(C(=O)CC(C)(C)C#N)[C@H]1CCC[C@H]1c1ccccc1 458032332 UHVBRWMUROHKFE-HOTGVXAUSA-N 284.403 3.721 30 20 CHED CC[C@@H]1C[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 459035515 WKYGKTKYCVEVPO-SJORKVTESA-N 299.418 3.524 30 20 CHED C=CCC[C@@H](CCC)N[C@H](CC)C1CCOCC1 462102431 CASCYLYCPZYSOZ-HZPDHXFCSA-N 253.430 3.916 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1c1nccc(C)c1C#N 462695513 HAIPUABRMIIMHQ-IUODEOHRSA-N 257.381 3.667 30 20 CHED CCCCCN(C(=O)CCCC#N)[C@@H](C)CCC 463577640 YYRWOSNAEUNCHP-AWEZNQCLSA-N 252.402 3.888 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@@H]1C(C)C 466381726 CMYOZMAGFXFAGW-UONOGXRCSA-N 252.402 3.561 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C 466729527 VINXYWBBBHKWSE-YQQAZPJKSA-N 286.419 3.929 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCCc1cccc(C#N)c1 467436759 ZYAOAHKQWKXTOS-JKIFEVAISA-N 256.393 3.515 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCOc1ccccc1C(C)C 468015833 GEDPRBPZJKTWEA-SFHVURJKSA-N 289.419 3.907 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 473788270 QEHLEPLMIINCAT-GFCCVEGCSA-N 291.351 3.770 30 20 CHED C=CCOCCCSCc1ccc(F)c(F)c1 479587784 VRPIUBZWRSTRGT-UHFFFAOYSA-N 258.333 3.791 30 20 CHED Cc1ccccc1[C@H](N=c1ccc(C#N)c(C)[nH]1)C1CC1 488051728 ARVPNTWDGSGUKD-GOSISDBHSA-N 277.371 3.555 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)[C@@H](C)CC#N 488730535 IAOMWXZFJMNEEE-QLFBSQMISA-N 284.403 3.737 30 20 CHED C=CCC[C@H](C(=O)N(CC=C)C1CC1)c1ccccc1 489634132 BMFPNMRQKSDVPS-KRWDZBQOSA-N 269.388 3.913 30 20 CHED C=CCC(C)(C)CNC(=O)c1oc(-c2ccccc2)nc1C 489959223 UNPMOYKVPFBVLP-UHFFFAOYSA-N 298.386 3.982 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(F)cc1OC(C)C 494507680 WQMFOMFEKLKIFD-UHFFFAOYSA-N 292.354 3.819 30 20 CHED CC(C)[C@@H](C)CC(=O)Nc1ccc(C#N)cc1Cl 494643903 WDWPYNODVYNGHV-JTQLQIEISA-N 264.756 3.832 30 20 CHED CC[C@@H]1C[C@]1(NCC1(C#N)CC1)c1cccc(C)c1 502484553 YDFGQYUUXIRQTL-RHSMWYFYSA-N 254.377 3.514 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cccc2cc[nH]c12 507221574 LRMGQAYDNFBMRB-UHFFFAOYSA-N 275.355 3.672 30 20 CHED C=CCN1CCc2c(Br)cccc2[C@H]1C 509422651 VQNOZPWFDGKWOH-SNVBAGLBSA-N 266.182 3.554 30 20 CHED Fc1ccc(C#CCNc2cc(F)c(F)cc2F)cc1 510087391 HAYLPQUIFHCAHD-UHFFFAOYSA-N 279.236 3.707 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1ccccc1 512171573 XKJQJXYQNOKYFK-OAHLLOKOSA-N 285.387 3.911 30 20 CHED N#Cc1ccc(-c2ccc(OC[C@@H]3CCCO3)cc2)cc1 512253084 YUTUNSPLKJXCLG-SFHVURJKSA-N 279.339 3.783 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)NCC#Cc1cccc(F)c1 513125678 IRTNEHVBPPBUPA-DOTOQJQBSA-N 287.378 3.510 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccc(C(C)(C)CC)cc1 516123382 UEHLGWIFLWMQFT-QGZVFWFLSA-N 275.392 3.640 30 20 CHED Cc1ccc(NCC2CCC(C#N)CC2)c([N+](=O)[O-])c1 516238191 RCGYLYVWQJTJJF-UHFFFAOYSA-N 273.336 3.645 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(C)Cc1cccc(C#N)c1 516391278 BPTXEHTXSWGXCH-YOEHRIQHSA-N 284.403 3.733 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)c1cc(C)ccc1C 520659262 BWPWJFRFVBMLRK-OAHLLOKOSA-N 275.392 3.638 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)OCC(C)C 522109243 OXIJTZGOKDQYCP-HNNXBMFYSA-N 281.440 3.642 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)Nc1ccc(C#N)cc1 522962408 CLWFTLORFLYTDC-LBPRGKRZSA-N 273.380 3.895 30 20 CHED C=C1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 525369978 UTYYYDQCOHIKQQ-VXGBXAGGSA-N 293.769 3.761 30 20 CHED N#Cc1cccc(OCC(=O)c2ccc(F)c(Cl)c2)c1 530765831 AFMPGMODKBNZMV-UHFFFAOYSA-N 289.693 3.612 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1CCc2cc(F)ccc21 538291874 WVALRNHGVSAKDA-BLLLJJGKSA-N 290.382 3.857 30 20 CHED Cc1ccc(OCCCN[C@@H](C)c2cccc(C#N)c2)cc1 540595898 HRADKGDRBBCRJK-INIZCTEOSA-N 294.398 3.986 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](Cc1ccccc1)C1CC1 541220040 HUAOSHJWJUEBKE-IAGOWNOFSA-N 286.419 3.662 30 20 CHED C[C@H](C#N)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 542695811 FEVJPSXPYAPGEY-MLGOLLRUSA-N 258.340 3.511 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H](C)c1ccc(C)cc1 559937667 WBLPEEAATQFFTO-CQSZACIVSA-N 259.393 3.817 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Oc2ccccc2)C1 567791223 KUKYVIHLDSMUHZ-KXBFYZLASA-N 292.382 3.773 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCCC(C)(C)C1 569358490 OFGZVJUNKJCWPL-UHFFFAOYSA-N 288.439 3.748 30 20 CHED CC[C@](C)(C#N)NC(=O)c1cc2cccc(C)c2s1 570076659 CWWBCGLIMVDGLT-OAHLLOKOSA-N 272.373 3.632 30 20 CHED COC(=O)c1ccc(Nc2ccc(C(C)C)cc2)c(C#N)n1 573043367 HFQLESBUNJDKIP-UHFFFAOYSA-N 295.342 3.607 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccnn1CCC(C)C 573154459 GBVMEPWTUINSLA-CQSZACIVSA-N 290.411 3.502 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)N1CCC(CCC#N)CC1 574633949 MOKQODQLQXFALZ-OAHLLOKOSA-N 291.439 3.681 30 20 CHED CC#CCN(C)C(=O)C1(c2ccc(Cl)cc2)CCCC1 577437123 WAAURXONRHDLCA-UHFFFAOYSA-N 289.806 3.634 30 20 CHED C=CCCNc1cc(F)c(F)cc1N1CCCCC1 582578278 CZTSAWATKOEMOB-UHFFFAOYSA-N 266.335 3.943 30 20 CHED C=CCC[C@H](CCC)N[C@H](CO)c1ccc(F)cc1 584307959 KICGFZFTTOHNTL-JKSUJKDBSA-N 265.372 3.584 30 20 CHED Cc1nsc(NCc2ccccc2N2CCCC2)c1C#N 587405290 PNDRJXLADBNIAC-UHFFFAOYSA-N 298.415 3.536 30 20 CHED Cc1nc(N[C@@H](C)c2cccc(C#N)c2)c(Cl)cc1C#N 589688634 XJPHSWZBFYSVEZ-JTQLQIEISA-N 296.761 3.960 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 593415102 UEXQYNSHTVTYNQ-NSHDSACASA-N 299.201 3.892 30 20 CHED CC[C@H](C#N)C(=O)N1CC(C)(C)c2c(Cl)cccc21 593436046 DGJFWNHNTNPKIF-SNVBAGLBSA-N 276.767 3.514 30 20 CHED COc1ccc2ncc(C#N)c(OCCCCCF)c2c1 593442849 IGHRXEINCUJEGR-UHFFFAOYSA-N 288.322 3.634 30 20 CHED CCN(CCCN[C@H]1CCC[C@H](C#N)C1)C1CCCCC1 593661000 VEXRWUFWBQVOCR-IRXDYDNUSA-N 291.483 3.703 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N(C)[C@H](C#N)CC 594090809 WSSJNMGYONQATL-CABCVRRESA-N 264.413 3.744 30 20 CHED CC[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H](C#N)C1 595061110 PDVYPZTYWGKQBJ-DJIMGWMZSA-N 274.383 3.819 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 595622842 DUVZQTRFKONPQM-CQSZACIVSA-N 254.377 3.690 30 20 CHED CC(C)(C#N)CCCN1CC[C@H]1c1ccc(F)cc1 595703688 NJCHSZWEBWFEDI-HNNXBMFYSA-N 260.356 3.902 30 20 CHED N#Cc1c(F)cccc1-c1ccc(C[C@H](O)C2CC2)cc1 596638898 FISHSTIMYXADCL-SFHVURJKSA-N 281.330 3.678 30 20 CHED N#CC1(CC(=O)N2CC[C@@H]2c2ccccc2)CCCCC1 596799357 BYYSBBYEAINEPS-MRXNPFEDSA-N 282.387 3.824 30 20 CHED CC[C@H](CC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597914361 UXNKSZDZAWNJIT-JKSUJKDBSA-N 284.403 3.723 30 20 CHED C=CCCSCCNC(=O)[C@H](c1ccccc1)C1CC1 597968341 FGEPEWPVCLRYHY-MRXNPFEDSA-N 289.444 3.606 30 20 CHED C=CCC1(C(=O)NCCC2(CSC)CC2)CCCC1 597990874 VKCAVRMLPBXMJT-UHFFFAOYSA-N 281.465 3.772 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)[C@H](C)C#N 598359657 MCHWGBFWXWGWOX-JEBQAFNWSA-N 292.382 3.704 30 20 CHED Cc1ccccc1C(C)(C)CNC[C@H](C)CCC#N 602532240 JFXQRVVYWYWIPC-CQSZACIVSA-N 258.409 3.802 30 20 CHED CCc1ccc(-c2nc(CN[C@H](C)CC#N)cs2)cc1 602864336 RDHQNRKKBXWXIU-GFCCVEGCSA-N 285.416 3.764 30 20 CHED CC(C)=CCCn1cc(CC2(C#N)CCCCC2)nn1 603202834 YOLJIFMTMFWSCO-UHFFFAOYSA-N 272.396 3.651 30 20 CHED N#Cc1cccc(CN2CCCO[C@H](c3ccccc3)C2)c1 609233698 GXQWOZJYQQLZJZ-IBGZPJMESA-N 292.382 3.522 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1Sc1cccc(Cl)c1 609384013 XKGLNLDNZSFTMM-UHFFFAOYSA-N 291.719 3.666 30 20 CHED Cc1cccc2c1CCN2c1c(C#N)nnc2ccccc12 610131037 RZHJIDLBMCCRTQ-UHFFFAOYSA-N 286.338 3.504 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cc2cccc(F)c2o1 610577752 VVOTWEHRZMLUMV-UHFFFAOYSA-N 298.248 3.835 30 20 CHED CC[C@H](NC(=O)c1ccc(CC#N)cc1)C1CCCCC1 611147559 BQXQTJNXHZYDFP-KRWDZBQOSA-N 284.403 3.841 30 20 CHED CC(C)(C)C[C@@H](NC1CCN(CC#N)CC1)c1ccccc1 611438479 UWSMTOXYJVQULE-GOSISDBHSA-N 299.462 3.741 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 613281570 PGGNKQFIQVTUHG-IAGOWNOFSA-N 293.326 3.609 30 20 CHED Cc1cc(C#N)ccc1CN1C[C@H](C)[C@H]2CCCC[C@H]21 614407776 ZIDMNBXAVARMGN-BMGDILEWSA-N 268.404 3.877 30 20 CHED CC(C)(C#N)CNCc1ccc(F)c(Cl)c1Cl 617848942 CUMLKXJQWWFWHZ-UHFFFAOYSA-N 275.154 3.772 30 20 CHED N#Cc1cc(OCc2nccs2)ccc1C(F)(F)F 619265500 GADOENGIFSNZGQ-UHFFFAOYSA-N 284.262 3.613 30 20 CHED C=CCN(C(=O)[C@@]1(c2ccccc2)CC1(C)C)C1CC1 622837082 AIJWONNXGDQJEK-SFHVURJKSA-N 269.388 3.531 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 632848071 FFHDDELRIDTTJZ-UTUOFQBUSA-N 277.330 3.826 30 20 CHED C=C[C@H]1CCCCN1C(=O)C/C=C\Cc1ccccc1 635866726 KAHFKDOGVUZWRE-TUYSUELWSA-N 269.388 3.743 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(C)(C)c1ccccc1OC 644608456 OKXIKDRYCVGFID-UHFFFAOYSA-N 289.419 3.691 30 20 CHED Clc1cccc(C#CCNC2(C3CCC3)CC2)c1 649810624 SNMJPAHJOOHMLU-UHFFFAOYSA-N 259.780 3.614 30 20 CHED C=C[C@H](C)NC(=O)Cc1coc2ccc3ccccc3c12 674952047 QJDSFASXDWSIBB-LBPRGKRZSA-N 279.339 3.819 30 20 CHED C=C[C@@H](CC(=O)N[C@@H]1CCC(F)(F)C1)c1ccccc1 677573323 MEJLYKAXDIDCLI-GXTWGEPZSA-N 279.330 3.650 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 679885344 GDISXOUXONTRPB-VIFPVBQESA-N 298.333 3.838 30 20 CHED C=CCCCCNC(=O)N1Cc2ccccc2C(F)(F)C1 681164485 UUVKIYHFPSYVMB-UHFFFAOYSA-N 294.345 3.660 30 20 CHED C=CCCCCCN1CCC[C@@H](c2ccnc(C)n2)C1 683779631 JGGZUPKXPZFRFO-MRXNPFEDSA-N 273.424 3.711 30 20 CHED CCC[C@@H]1CCCN(c2nc(C)c(C#N)cc2Cl)C1 708535871 ROXVTPGQXUOKIA-GFCCVEGCSA-N 277.799 3.932 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC(C2CCCCC2)CC1 708841692 PPAQVZYQBHIJQW-QGZVFWFLSA-N 276.424 3.745 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc(F)c(Cl)c1 709988582 BLOSPASJBLGPCN-SNVBAGLBSA-N 268.763 3.897 30 20 CHED CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(O)c1 725847788 DRGRALFXJKAEGW-CYBMUJFWSA-N 296.370 3.513 30 20 CHED CC(C)Oc1ccccc1C=Nn1cnc2ccccc21 725849968 ZFDSFDGARZXVSM-UHFFFAOYSA-N 279.343 3.706 30 20 CHED CCC/C(C)=C\C(=O)O[C@@H](C)c1cccc(C#N)c1 727635988 QIGFQRPVOXCUGA-SUIFULHWSA-N 257.333 3.909 30 20 CHED CN(C)c1ccc(C=NNc2cccc3cnccc23)cc1 728431745 BFJRMSMNVJAEJT-UHFFFAOYSA-N 290.370 3.747 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1C 731155994 XXCXKTFGYKQDOT-SOFGYWHQSA-N 294.350 3.971 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@H](C(C)C)CC2)c1 734204948 PZASVBKMUWFYSX-INIZCTEOSA-N 284.403 3.958 30 20 CHED CCC(=NN[C@@H](C)c1ccccc1)c1c(C)nn(C)c1C 741839842 UHMPTDWLGSMPNB-LBPRGKRZSA-N 284.407 3.502 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(F)cn2)C1(CC)CC 748252526 UJAGIZPYFQGQBJ-CYBMUJFWSA-N 279.359 3.604 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(Cl)nc2)c1 748781660 YUKJRPROMODWKM-UHFFFAOYSA-N 259.740 3.798 30 20 CHED COc1ccc(NN=C[C@@H](C)c2ccccc2)cc1 750922453 PVGNRJFHEVFANU-CYBMUJFWSA-N 254.333 3.897 30 20 CHED CS/C=C/C(=O)Nc1ccccc1C#Cc1ccccc1 751585448 LNCVGTZSWSOZLF-BUHFOSPRSA-N 293.391 3.902 30 20 CHED C=C(C)CNC(=S)N(CC1CCC1)c1ccccc1 752243533 URUACDACGVLROM-UHFFFAOYSA-N 274.433 3.744 30 20 CHED CC1(C)CCC[C@@H](C=NNc2nccnc2Cl)C1 752733745 ISEMYBRARVWOQG-SNVBAGLBSA-N 266.776 3.744 30 20 CHED C#C[C@H](CC)NC(=O)N(CCCC)[C@H](C)c1ccccc1 753247724 OBBXRXHODGOONH-NVXWUHKLSA-N 286.419 3.971 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccccc1C(C)(C)C 753945242 XZVQFDCZLZIGHI-UHFFFAOYSA-N 258.365 3.517 30 20 CHED CCCCCCCCNC(=O)CCc1csc(C)n1 754851786 XBPJCSAWTITEMA-UHFFFAOYSA-N 282.453 3.861 30 20 CHED CCCCCCCCNC(=O)CSc1ccc(O)cc1 755214406 FFUFNFKLNAFEQG-UHFFFAOYSA-N 295.448 3.961 30 20 CHED CC#CCCNC(=O)Nc1nc(C)c(-c2ccccc2)s1 755496043 XLUSBMZFJGQPDQ-UHFFFAOYSA-N 299.399 3.653 30 20 CHED Clc1cccnc1NN=C[C@@H]1CCc2ccccc21 755656999 XXBXAJLPMKZMFK-LBPRGKRZSA-N 271.751 3.863 30 20 CHED C[C@@H](NC(=O)c1cc(Cl)cs1)c1cccc(C#N)c1 757971783 AZOJXVASSAGELN-SECBINFHSA-N 290.775 3.764 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc2c(c1)OCCCO2 758529167 CMKRZOCCDUGXDG-UHFFFAOYSA-N 288.343 3.522 30 20 CHED COc1ccc2c(c1)CCCN2Cc1ccc(F)c(C#N)c1 758688829 PATLWQXIYMPYTL-UHFFFAOYSA-N 296.345 3.659 30 20 CHED COc1cc(Cl)cc(C=NOCc2ccccc2)c1O 758869943 IXSXIHUUSYLYSS-UHFFFAOYSA-N 291.734 3.605 30 20 CHED CCOc1cccc(/C=C2\Cc3c(OC)cccc3C2=O)c1 759666815 VOXRLOBDVWITJR-GXDHUFHOSA-N 294.350 3.916 30 20 CHED C#CCCCC(=O)Nc1cnn(C(CC)CC)c1CC 760532210 QRTQUSXUPFELGN-UHFFFAOYSA-N 275.396 3.549 30 20 CHED CC(=O)c1ccccc1NCCCOc1cccc(C#N)c1 763241482 NRXMIKUMEUYVOI-UHFFFAOYSA-N 294.354 3.642 30 20 CHED C[C@H](C=NNc1ccccn1)c1cccc(Cl)c1 763345903 MSXCTPQHSAVAOT-LLVKDONJSA-N 259.740 3.936 30 20 CHED N#CCCCCOC(=O)c1c(Cl)cc(F)cc1Cl 763560519 AVIIDHWKDOQDAL-UHFFFAOYSA-N 290.121 3.983 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccccc1O 764718311 MJVZQPBNCKRBEP-UHFFFAOYSA-N 274.751 3.559 30 20 CHED C#CCN(C(=O)N[C@@H](CC1CCC1)c1ccccc1)C1CC1 764739750 WIQQYLKCVYLGFY-SFHVURJKSA-N 296.414 3.725 30 20 CHED C=CCC[C@@H](NC[C@@](C)(O)c1cccc(Cl)c1)C1CC1 765814657 HHAAGXMSSIHTPX-IAGOWNOFSA-N 293.838 3.882 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 765837826 VHJUMCKWOMUXCF-ZIFCJYIRSA-N 290.495 3.975 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cccc(C)c1 766772280 PCRAWIXAVYNVJB-FPLPWBNLSA-N 251.329 3.849 30 20 CHED CCCCCCCN[C@@H](CO)[C@H](C)c1ccccc1 766972842 WADPVVJHOUNVGK-WBVHZDCISA-N 263.425 3.711 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccc(OCC2CCCCC2)cc1 767232919 RQZPYOOGRBVNDI-OAHLLOKOSA-N 299.414 3.739 30 20 CHED C[C@H]1CCC(=NNc2cc(Cl)ccn2)C[C@H]1C 767386815 VZANRNOSTMUUDV-VHSXEESVSA-N 251.761 3.959 30 20 CHED CC#CCCCC(=O)OCc1cccc(OC(C)C)c1 767668971 YXVBZNFQSLITDH-UHFFFAOYSA-N 274.360 3.711 30 20 CHED C/C(=C/C(=O)OCc1ccccc1C(C)(C)C#N)C1CC1 768011577 CZBIDNPOYHJIQB-RAXLEYEMSA-N 283.371 3.887 30 20 CHED Cc1ccc2c(CC(=O)OCC3(C#N)CCC3)coc2c1 768107667 CIUQTTLHWZFHAL-UHFFFAOYSA-N 283.327 3.521 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2cccc([N+](=O)[O-])c2)C1 768357473 LBAZOFIDJVBLBR-NWDGAFQWSA-N 261.325 3.819 30 20 CHED Cc1ccc(F)c(C(=O)OCCCCC(C)(C)C#N)c1N 768648735 MNGKMWLJRIKHBS-UHFFFAOYSA-N 292.354 3.593 30 20 CHED CC(=NNc1ccnc(F)c1)c1csc(C(C)C)n1 768782103 WBTLSXKBTONJRK-UHFFFAOYSA-N 278.356 3.637 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCCC(F)(F)F 768822279 WBKZNRWCTVPKJC-UHFFFAOYSA-N 279.302 3.982 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1cccc2cc[nH]c12 769146388 UOWLVIQFTZZHRP-UHFFFAOYSA-N 292.357 3.942 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@H]1CCC[C@H]1C 769478231 ZWOGSHCACOGHCU-CHWSQXEVSA-N 289.350 3.603 30 20 CHED CCSc1cccc(C=NNCc2ccccc2)c1 769781903 QLZCTKWBDLYXFR-UHFFFAOYSA-N 270.401 3.922 30 20 CHED C[C@@H](OC(=O)C(C)(C)c1cccnc1)c1ccc(C#N)cc1 770523360 BKLZUHZXBSJFPA-CYBMUJFWSA-N 294.354 3.535 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 772804818 YNCUERBBRMNZCV-SREVYHEPSA-N 296.257 3.502 30 20 CHED Cc1cc(C)c(NN=Cc2cnc([C@@H](C)O)s2)c(C)c1 773059490 RUQJLIHIJDYZLU-GFCCVEGCSA-N 289.404 3.568 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc(Cl)c(F)c1 773075286 XGSKHCOIJLAYSJ-UHFFFAOYSA-N 292.745 3.839 30 20 CHED CSCCCCC(=O)OCC#Cc1cccc(Cl)c1 773174283 YHBZZROJHUSNOF-UHFFFAOYSA-N 296.819 3.768 30 20 CHED C=C(CC)CN1CCC([C@H](O)c2ccc(F)cc2)CC1 773427258 FLSFXFNIJRYINA-QGZVFWFLSA-N 277.383 3.537 30 20 CHED Cc1ccc(/C=C2/CC(=O)Nc3ccccc3C2=O)s1 774144604 KGJZRXBGMRRNHI-FLIBITNWSA-N 283.352 3.665 30 20 CHED CCOCCON=C(C)c1cc(Cl)sc1Cl 774415751 SDGNJGSYFKHQKX-UHFFFAOYSA-N 282.192 3.832 30 20 CHED Brc1csc(C=NOC2CCCC2)c1 774603094 LGYWEKIBEIBRHO-UHFFFAOYSA-N 274.183 3.804 30 20 CHED CCCC(O)(CCC)CC(=O)O[C@H](C#N)C1CCCCC1 776395740 BIKNYLNVOJZGHQ-OAHLLOKOSA-N 295.423 3.723 30 20 CHED FC(F)(F)Oc1ccccc1NN=C1CCCC1 777453169 MKZLWWAGVKMITN-UHFFFAOYSA-N 258.243 3.927 30 20 CHED CCOc1ccc(/C=N\[C@@H]2CC(C)(C)OC2(C)C)c(O)c1 777873860 VIIILYORQFXRQS-JQFNYASXSA-N 291.391 3.556 30 20 CHED CC(C)OCCNN=C1CC=C(c2ccc(F)cc2)CC1 778553886 JBXHNMPNJNHLHH-UHFFFAOYSA-N 290.382 3.764 30 20 CHED C[C@H]1CC[C@@H](OC(=O)c2cc3ccccc3n2CC#N)C1 779265682 SEUZHXNFDDEGDT-GXTWGEPZSA-N 282.343 3.510 30 20 CHED CCOC(=O)Nc1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1C#N 779603060 DGCBCNCHRORNCX-MKBNYLNASA-N 299.374 3.727 30 20 CHED COC(=O)c1cccc(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)c1 779826635 ADADOZMURZGXHO-NHYWBVRUSA-N 298.342 3.636 30 20 CHED Cc1cccc(F)c1NN=C1CCc2cc(O)ccc21 780242094 ZUAXLDFWHCSQOA-UHFFFAOYSA-N 270.307 3.602 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 780915213 JYLQUJHNCYUFNP-HUUCEWRRSA-N 272.392 3.924 30 20 CHED CN(CCC#N)Cc1cccc(SC(F)(F)F)c1 781336257 RHCRVHDPEGNJMN-UHFFFAOYSA-N 274.311 3.644 30 20 CHED C=CCCCCCOC(=O)c1sc(C)nc1C 782327982 MLDSYDQMQQDNNX-UHFFFAOYSA-N 253.367 3.663 30 20 CHED CC(C)(C)CCNN=Cc1cnc(C(C)(C)C)s1 782907774 OWEHMHWHWSXETA-UHFFFAOYSA-N 267.442 3.800 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)C[C@H](C)O)cc1 783535553 FWZOYLGAXKTHJJ-IHRRRGAJSA-N 297.826 3.628 30 20 CHED Cc1noc(C2CC2)c1C(=O)O[C@@H](C)c1ccc(C#N)cc1 784059151 FSFRMRWEEOVKRY-NSHDSACASA-N 296.326 3.650 30 20 CHED Cc1ccncc1/C=C\C(=O)O[C@H](C)c1ccc(C#N)cc1 784060101 SJCQKIYHCUDNNI-WBTMPAOCSA-N 292.338 3.579 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCC[C@H](C)CC2)c1 785836613 ZGDQHXDFFCAVJL-DZGCQCFKSA-N 270.376 3.758 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(=O)oc2c(C)c(C)ccc12 785996569 FCABLSDNESUXIM-MRXNPFEDSA-N 297.398 3.950 30 20 CHED CC(=NNC1CCCCC1)c1ccc(-n2ccnc2)cc1 786043215 LARRLHPOIOLZHT-UHFFFAOYSA-N 282.391 3.519 30 20 CHED C1CCC2(CC1)CCC(=NOC[C@H]1CCOC1)CC2 788030321 MQCQZPQTXAAPEK-AWEZNQCLSA-N 265.397 3.920 30 20 CHED CC(Cc1ccc(-c2ccccc2)cc1)=NN[C@H]1CCOC1 788448917 UQOKUUNEAAVSCW-IBGZPJMESA-N 294.398 3.651 30 20 CHED COc1ccc2nc(C=NNC3CCCCC3)sc2c1 788725625 IBQBDPHYOMAGPT-UHFFFAOYSA-N 289.404 3.561 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1coc(C)n1 789038521 YKEFHDYSPBRZPJ-UHFFFAOYSA-N 280.331 3.676 30 20 CHED CCCCCCCCS(=O)(=O)c1nc(C)cs1 790164386 OIBASPJBHGJITK-UHFFFAOYSA-N 275.439 3.586 30 20 CHED Cn1nc(C(F)(F)F)c(CSCCCC#N)c1Cl 790564130 MUDHLUWRKBUXMC-UHFFFAOYSA-N 297.733 3.629 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@](C)(c2ccccc2)C1 791066220 GTGVPGFFZJJNBV-IEBWSBKVSA-N 298.430 3.552 30 20 CHED C[C@@]1(C=NNc2nc3cc(F)c(F)cc3[nH]2)CCCS1 792963117 VTVLSRBHCMVRKX-ZDUSSCGKSA-N 296.346 3.525 30 20 CHED C=CC1CCN(C(=O)[C@@H](F)CC2CCCCC2)CC1 793478927 AFIXQJMERSRTMB-HNNXBMFYSA-N 267.388 3.720 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1CCCO1 793483619 OAXHFPKBPSMIHZ-CVEARBPZSA-N 281.440 3.907 30 20 CHED COc1cc2c(cc1OC)C(=NOC1CCCCC1)CC2 794535586 KFGUQHCNZYRUNK-UHFFFAOYSA-N 289.375 3.703 30 20 CHED FC(F)(F)CCNN=Cc1cnc(C2CCCC2)s1 794553801 ZQQZGWPCXCKIHJ-UHFFFAOYSA-N 291.342 3.677 30 20 CHED CC(=NOCc1cncc(F)c1)c1cc2ccccc2o1 794883920 MLMXTIGHQKTNSY-UHFFFAOYSA-N 284.290 3.908 30 20 CHED FC(F)(F)c1cccc(NN=C[C@H]2CCCSC2)n1 794911872 SGOADMBKZFVWRB-SECBINFHSA-N 289.326 3.641 30 20 CHED CCc1nn(C)cc1/C=C1/CC(C)(C)c2ccccc2C1=O 794967873 ITKAAMNVFWDHFK-RAXLEYEMSA-N 294.398 3.930 30 20 CHED Fc1cccc(NN=C2CCc3c(Cl)cccc32)n1 795008043 SZPVIYXQXSGPDJ-UHFFFAOYSA-N 275.714 3.637 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NNc1cccc(F)n1 795009298 ZRLMBJPOSQZIQC-UHFFFAOYSA-N 297.255 3.994 30 20 CHED CCCCCCCCN1C[C@@H](N2CCCC2)C[C@@H]1C 796431372 XKRWQRCULXIIMQ-IRXDYDNUSA-N 266.473 3.906 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 799001483 OSPHMIVTTRIGLV-SMDDNHRTSA-N 297.320 3.727 30 20 CHED Cc1ccc(C(=O)Nc2nc3ccccc3s2)cc1C#N 799293127 CFXGTAGIBPTWMK-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ncccc1Oc1ccccc1 799627952 QHXNEOCDQJDBPL-ZDUSSCGKSA-N 296.326 3.723 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)/C=C/c2ccccc2C#N)C1 799656072 DKZQDALOVFMCOJ-IJAHNMCUSA-N 269.344 3.693 30 20 CHED C[C@H](C#N)OCCSCc1cccc(C(F)F)c1 802751693 LGERTQTYQXXLJR-SNVBAGLBSA-N 271.332 3.786 30 20 CHED C#CC(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 803613405 YRRRPKJOHIWEKS-HUUCEWRRSA-N 275.779 3.506 30 20 CHED C=CCCCCCCNC(=O)CCc1ccc(C#N)cc1 805219799 WMQIWYGTQIEIAI-UHFFFAOYSA-N 284.403 3.744 30 20 CHED CCCCCCCC(=O)NCC(C)(C)CCC#N 807723071 UGFZXDAVMSUGBI-UHFFFAOYSA-N 252.402 3.793 30 20 CHED FC(F)(F)c1cc(C=NNCCCc2ccccc2)c[nH]1 807970335 FWPSFIJPOHZMII-UHFFFAOYSA-N 295.308 3.590 30 20 CHED CC(=NN[C@@H]1CCSC1)c1cccc(Cl)c1Cl 808001481 KRLDPAPTHAPKLP-SECBINFHSA-N 289.231 3.813 30 20 CHED C#CCCCc1nc(-c2ccc3cc(OC)ccc3c2)no1 809299677 KEHOSHQMXKIWBI-UHFFFAOYSA-N 292.338 3.854 30 20 CHED C#Cc1ccccc1CC(=O)N1CCCC[C@H]1[C@@H](C)CC 810481748 VFDIMQZLBWMSRH-YJBOKZPZSA-N 283.415 3.638 30 20 CHED C=CCCCCOC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 811008431 GSVNOMBIMGOQGA-LBPRGKRZSA-N 277.320 3.598 30 20 CHED N#Cc1c(F)cccc1/C=C1/C(=O)Nc2ccc(Cl)cc21 811685197 LNGAHBAAFYEIPG-WUXMJOGZSA-N 298.704 3.843 30 20 CHED C#C[C@@H](NC(=O)NC(C)(C)c1ccc(Cl)cc1)C(C)C 812027048 QYHFQJRDGMSALH-CQSZACIVSA-N 292.810 3.532 30 20 CHED Cc1cccc(CN(C)c2snc(Cl)c2C#N)c1C 813609396 JRFNEACXDBDPGT-UHFFFAOYSA-N 291.807 3.921 30 20 CHED FC(F)(F)c1cccc(NN=Cc2ccc(Cl)o2)n1 814853405 MNNFFGBYNPPLBH-UHFFFAOYSA-N 289.644 3.793 30 20 CHED COCC(=NOCC(C)C)c1cccc(Cl)c1F 814883859 DSRKNDYDRGWBQR-UHFFFAOYSA-N 273.735 3.502 30 20 CHED CC(C)[C@@H]1CC(=NNc2cccc(Cl)n2)CS1 814939080 DICZNPFKDDJZQH-JTQLQIEISA-N 269.801 3.664 30 20 CHED C#C[C@@H](NC(=O)N(CC)C(CC)CC)c1ccccc1 820590231 CQORVENNZANNLL-MRXNPFEDSA-N 272.392 3.581 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C/c2ccsc2)c1 821022144 PCZZTMFSDLPUPY-VOTSOKGWSA-N 271.385 3.706 30 20 CHED CC(C)C#CC(=O)N(C)[C@@H](C)c1ccccc1Cl 821092372 NCJOXWLOQRSYPH-LBPRGKRZSA-N 263.768 3.519 30 20 CHED N#C[C@@]1(C(=O)Oc2ccc(Cl)cc2)CC12CCCC2 822246066 XMPAJARHBRQLED-OAHLLOKOSA-N 275.735 3.719 30 20 CHED Cc1ccc(OCCON=Cc2cccc(F)c2)cc1 824222547 IONAWESLIVSHSE-UHFFFAOYSA-N 273.307 3.564 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](CC#N)C1 824379399 LADDZPDBFWQTHR-SJLPKXTDSA-N 298.430 3.716 30 20 CHED C=CCC1(CN[C@H](C)C[C@@H]2CCOC2)CCCC1 825079458 UZLZZGPMGWPASZ-CABCVRRESA-N 251.414 3.528 30 20 CHED C=CCC1(N[C@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 827146001 AQEDDYPPKVMXAE-STQMWFEESA-N 291.357 3.822 30 20 CHED C=CCCC[C@H](C)NC(=O)CCC[C@@H](O)c1ccccc1 831732355 HXVHFTOEXDTLJS-DOTOQJQBSA-N 289.419 3.751 30 20 CHED CCC(F)(F)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 832301781 JGMJHASRTSNEIL-UHFFFAOYSA-N 286.366 3.647 30 20 CHED Cc1ccc(NN=CC(C)(C)Oc2ccccc2)nc1 834954143 JMSDMIWPGZKAEG-UHFFFAOYSA-N 269.348 3.645 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1ccncn1 834974323 ZNZGRIMVNJGUSY-UHFFFAOYSA-N 268.364 3.610 30 20 CHED COc1cccc(-c2nc(C=NOC(C)C)cs2)c1 835004464 OLBWOQBLWLJEJQ-UHFFFAOYSA-N 276.361 3.578 30 20 CHED C=CCC1(C(=O)Oc2ccc(C#N)cc2)CCCC1 835048036 YLFYNEMTAOYLGQ-UHFFFAOYSA-N 255.317 3.600 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)c1cccc(Cl)c1 835108048 WHRDHHODSGUGSZ-HONMWMINSA-N 280.751 3.535 30 20 CHED CC#CCN(C)C(=O)Nc1nc(C)c(-c2ccccc2)s1 836220626 YYKWOVZDLZTUIG-UHFFFAOYSA-N 299.399 3.606 30 20 CHED C=CCC1(NC(=O)C=C2CCSCC2)CCCCC1 836957235 RJEUGCYZYXTDTM-UHFFFAOYSA-N 279.449 3.835 30 20 CHED C=C[C@@H](C)OC(=O)c1sc(C)cc1Br 838865622 QOWDBBHOYDRMTP-ZCFIWIBFSA-N 275.167 3.550 30 20 CHED CC(C)(C#N)c1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839060837 YXUSACVWICUBLO-CJNGLKHVSA-N 296.370 3.727 30 20 CHED CC(=NNc1ccccc1F)c1cc(F)ccc1O 839411440 MLBGOMMSXIEWCX-UHFFFAOYSA-N 262.259 3.507 30 20 CHED FC1(F)CCC(=NNc2ncnc3ccsc23)CC1 842529142 PKSKVYFBSPAERS-UHFFFAOYSA-N 282.319 3.669 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCc1cnc(C)s1 850447143 HIWDADLLZBBGFO-ZFWWWQNUSA-N 264.438 3.719 30 20 CHED CC(C)c1cccc(CON=Cc2ccc([N+](=O)[O-])o2)c1 853644140 DNGWDWYVEVPDQI-UHFFFAOYSA-N 288.303 3.862 30 20 CHED C#C[C@](C)(CC)NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 854703785 DJXFPDQNBNNMEV-XHDPSFHLSA-N 297.320 3.727 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)CCc2scnc21 863196913 ZYMJCPGVMXQTPX-WEVVVXLNSA-N 288.397 3.690 30 20 CHED CC(=O)c1cc(C#N)ccc1N[C@H](C)c1cccc(C#N)c1 864031084 VCWBVYPTFHNRDG-GFCCVEGCSA-N 289.338 3.806 30 20 CHED C#CCCCCCC(=O)N1CCC2(CCSCC2)CC1 870250366 KLFVBBNIFPFNNN-UHFFFAOYSA-N 293.476 3.706 30 20 CHED N#Cc1cc(Cl)c(C(=O)N[C@@H]2CC23CCC3)c(Cl)c1 874784751 LRCOGZJWAPQRET-LLVKDONJSA-N 295.169 3.537 30 20 CHED C=CC(C)(C)CC(=O)N1CCc2ccccc2[C@H]1C 879084891 XNOXBYKTQBZTTR-CYBMUJFWSA-N 257.377 3.735 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 879108692 PQJKGXJUERIJOU-GOEBONIOSA-N 271.404 3.993 30 20 CHED N#CC1(CNc2cc3ccc(F)cc3c(Cl)n2)CC1 884495414 UKTZWPPQYHORBZ-UHFFFAOYSA-N 275.714 3.743 30 20 CHED C=C1CCC(C(=O)N[C@H]2CCC[C@H](SC)C2)CC1 889038280 YGLZCIIFBNVNCL-KBPBESRZSA-N 267.438 3.523 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccccc1OCCF 891265893 UXKGISDBUFQDEL-UHFFFAOYSA-N 265.328 3.576 30 20 CHED C=C(C)[C@@H](NCC1CCN(C)CC1)c1ccc(F)c(F)c1 893668854 ROLRVKDVJHZLCV-QGZVFWFLSA-N 294.389 3.513 30 20 CHED CCn1cncc1/C=C1/CCCc2ccccc2C1=O 901415632 NLXRMJSBUFODAZ-UVTDQMKNSA-N 266.344 3.506 30 20 CHED Cc1nn(C)c(/C=C2\CCc3ccccc3C2=O)c1Cl 901418036 XXEPQNNTDOXXLJ-FMIVXFBMSA-N 286.762 3.594 30 20 CHED CCSc1cccc(/C=C2/C(=O)c3nccn3[C@@H]2C)c1 901564119 FAQCDXCATAYRCC-ZTMOJVSCSA-N 284.384 3.836 30 20 CHED CC[C@H](NCc1nc2c(s1)CCC2)c1ccc(C#N)cc1 903191344 UFKUDOKQJQTXRO-AWEZNQCLSA-N 297.427 3.744 30 20 CHED CCCCCCCC[C@H](N)c1nc(-c2cncs2)no1 904690660 AOZWFRXDOAVMNV-NSHDSACASA-N 294.424 3.944 30 20 CHED CC(=NNc1ccc(Cl)cc1C)c1cnn(C)c1C 905511976 VRSUOQSWXQYVEU-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(F)c2occc12 909550138 NBGGYAGDWVHQTB-UHFFFAOYSA-N 275.279 3.669 30 20 CHED Brc1ccc(NN=Cc2ccsc2)cc1 912828045 HBMGSKJFILKOFS-UHFFFAOYSA-N 281.178 3.957 30 20 CHED C[C@@H]1CCCCN1[C@H](C)C/N=C\c1cc(Cl)ccc1O 915271435 URVMJEVFHQQORT-SAUWQKFDSA-N 294.826 3.727 30 20 CHED N#Cc1ccc(NN=Cc2ccc(OC(F)F)cc2)cc1 915961659 IPFNGTYSPFJNLC-UHFFFAOYSA-N 287.269 3.606 30 20 CHED CC(C)Oc1ccc(COC(=O)c2ccc(C#N)cc2)cc1 918533158 JFMYDBRQAQQAMI-UHFFFAOYSA-N 295.338 3.702 30 20 CHED N#CCCCCOC(=O)Cc1csc2ccccc12 919368882 WJGOCPOCVKGWAM-UHFFFAOYSA-N 273.357 3.681 30 20 CHED CCC1CC(=O)C(=CNC[C@@H](CC)c2ccccc2)C(=O)C1 920979906 YYNOEBOTNQJMLA-YSSOQSIOSA-N 299.414 3.612 30 20 CHED C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 921147451 QUQYASMMQMFDSF-OWCLPIDISA-N 295.467 3.936 30 20 CHED Cc1[nH]c2ccccc2c1CCN[C@H](C)CC(C)(C)C#N 924913292 VVMLCQHTZWVKPL-CYBMUJFWSA-N 283.419 3.937 30 20 CHED Cc1cccc2c1[C@H](NCc1ccc(OCC#N)cc1)CC2 925366223 FFLYZXBKNYHPQT-GOSISDBHSA-N 292.382 3.675 30 20 CHED C=CCCCCCCCCN[C@@H]1C[C@H](C)n2ncnc21 926426661 LRFPIUNYBSUSDQ-LSDHHAIUSA-N 276.428 3.790 30 20 CHED C=C1CCN(C(=O)Nc2cc(OC)ccc2Cl)CC1 929958296 DZIYTUJYKBOQEK-UHFFFAOYSA-N 280.755 3.533 30 20 CHED C=CC[C@H](NCc1ccc(C2CCC2)cc1)C(=O)OCC 1117722323 RVZHJTDANHLXSX-KRWDZBQOSA-N 287.403 3.552 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1-c1noc(C2CC2)n1 1121285758 KQSPVVYUHADCIF-UHFFFAOYSA-N 297.358 3.909 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCCC[C@@H]1CC 1121657513 ZFZWXTLYGMPNEY-OLZOCXBDSA-N 294.468 3.657 30 20 CHED C[C@@H](C(=O)O[C@H](CC#N)c1ccco1)c1ccsc1 1123462922 OLDRXAIHCKMCEE-ZWNOBZJWSA-N 275.329 3.643 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(OC)c(C#N)c1)C(C)C 1132547839 QPCRFHPUWWDYEH-LBPRGKRZSA-N 274.364 3.578 30 20 CHED Cc1cc(N2CC[C@@H](Cc3ccccc3)[C@H]2C)c(C#N)cn1 1162706261 PXOFCKOVCZQYGC-WBVHZDCISA-N 291.398 3.719 30 20 CHED Cc1ccc(CCNc2snc(C)c2C#N)cc1C 1163695903 JCZOVJWHWOZXIS-UHFFFAOYSA-N 271.389 3.595 30 20 CHED N#CC1(CSCc2ccc3ncccc3c2)CC1 1255052487 VBXCMBMLASLBLH-UHFFFAOYSA-N 254.358 3.772 30 20 CHED N#Cc1cccc(-c2nnc([C@@H]3CC34CCSCC4)o2)c1 1261575553 LLQFQYLOXPZIGB-ZDUSSCGKSA-N 297.383 3.609 30 20 CHED CC[C@H](C)CC(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1263619954 HXWVDTAVLHAWLH-VHSXEESVSA-N 289.766 3.829 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1-c1nnc(C)o1 1322309261 CWTSTTLJRLVWDP-UHFFFAOYSA-N 284.237 3.629 30 20 CHED CC[C@@H](C)[C@H](C)c1nnc(-c2cccc(C#N)c2)o1 1325810579 OQYPKNYJRHQECQ-MNOVXSKESA-N 255.321 3.758 30 20 CHED CC[C@@H]1CCC[C@@H]1c1nnc(COc2ccc(C#N)cc2)o1 1329294799 CFKITJJQDLXKQT-HIFRSBDPSA-N 297.358 3.814 30 20 CHED C=C(C)CCNC(=O)c1ccc(SC(F)F)cc1 1330679638 JKVWTCAXOWJCEI-UHFFFAOYSA-N 271.332 3.697 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)C1CCCC1)c1ccc(Cl)s1 1334282781 WSBNUULYABYULM-KOLCDFICSA-N 296.823 3.704 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCc1cccc(F)c1F 1336215055 APHSOKVOJPVENF-AWEZNQCLSA-N 293.357 3.855 30 20 CHED CSc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)co1 1348338378 JCKMFXUEAFDGMR-UHFFFAOYSA-N 292.747 3.779 30 20 CHED C=C(C)CCC(=O)N(CC(F)(F)F)[C@H](C)C(C)C 1348974405 KRAMJZNXLSLSNM-LLVKDONJSA-N 265.319 3.778 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1349109715 KYJGCULCXOAXLV-BRWVUGGUSA-N 296.414 3.955 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1ccc(C#N)s1 1349867751 SDRBHKAYRPYGTO-UHFFFAOYSA-N 265.378 3.735 30 20 CHED Cc1cccc([C@@H](O)CN[C@H](CCC#N)c2ccccc2)c1 1352737252 LARRQRRAQOPBHO-MOPGFXCFSA-N 294.398 3.663 30 20 CHED CCCC[C@@H](CCC)CNC(=O)c1ccc(C#N)c(C)n1 1355813791 OFHPMSKWJDZFPI-CQSZACIVSA-N 287.407 3.598 30 20 CHED CCOc1ccc(C#N)cc1NC[C@H]1C[C@H]2CC[C@H]1C2 1461562696 CUOGJINVPRMLOX-AEGPPILISA-N 270.376 3.805 30 20 CHED Cc1ccnc(COc2nc3c(cc2C#N)CCCCC3)c1 1473075162 GMCZHJGTCHPWCH-UHFFFAOYSA-N 293.370 3.505 30 20 CHED C[C@@H]1CC(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@@H](C)C1 1535868722 WIEBETQYKPICRC-UWVGGRQHSA-N 292.329 3.847 30 20 CHED CCc1ccc(CN(c2cccc(C#N)n2)C2CC2)cc1 1559067251 CQFGRXDLFAAJDL-UHFFFAOYSA-N 277.371 3.685 30 20 CHED Cc1[nH]nc(NC[C@@H](C)CC2CCCCC2)c1C#N 1560497549 VHNINDVVXIKMTL-NSHDSACASA-N 260.385 3.608 30 20 CHED CCN(C(=O)c1cc2c(ccc3ccccc32)o1)[C@@H](C)C#N 1587001266 WZDPBHJZMTUSFR-LBPRGKRZSA-N 292.338 3.960 30 20 CHED C[C@@H](CC=NNc1cc(Cl)ccc1Cl)C(=O)O 1592470257 GGQYHIXMSBIPNM-ZETCQYMHSA-N 275.135 3.502 30 20 CHED CCc1cccc(C)c1NCc1cccc(C(=O)O)c1C#N 1597581285 VBEOZNZITLIVLI-UHFFFAOYSA-N 294.354 3.739 30 20 CHED C=C[C@@H](N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C)C(=O)O 1602817487 XUMCDSLYSRIVMI-HZPDHXFCSA-N 289.419 3.910 30 20 CHED Cc1cc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)oc1C(=O)O 1607609422 JCRNISMPNNEVHY-VXGBXAGGSA-N 298.342 3.570 30 20 CHED C[C@H]1CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1637474026 WMMIIWWIJNHNCT-ZDUSSCGKSA-N 291.354 3.536 30 20 CHED Cc1nc(N[C@@H]2CCC[C@@H](C(C)C)C2)ccc1C#N 1639443716 XWSZVGVSWMIEOA-UKRRQHHQSA-N 257.381 3.888 30 20 CHED CCc1ccccc1CCSc1cccnc1C#N 1651983707 DFDRRZQAUMKUCG-UHFFFAOYSA-N 268.385 3.850 30 20 CHED CCOc1cccc(F)c1CNc1cccc(CC#N)c1 1657978116 RJOXMTRDNNHFCK-UHFFFAOYSA-N 284.334 3.903 30 20 CHED CC[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C1CCCC1 1668716561 XNXLBXADHNSRTI-HNNXBMFYSA-N 289.354 3.788 30 20 CHED CC1(C)CCC(C)(CNC(=O)NCC(C)(C)CC#N)CC1 1673509895 YISWCGKRPFYPTP-UHFFFAOYSA-N 293.455 3.832 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)Nc1cc(F)cc(C#N)c1 1674218188 BXPNYZDZFPNALD-ZBEGNZNMSA-N 289.354 3.788 30 20 CHED C=CCC[C@H]1CCC(=NNc2cccc(C(=O)O)c2)C1 1776038293 BRBZOQQDGFWJCC-LBPRGKRZSA-N 272.348 3.919 30 20 CHED CCC(=NNc1ccc(F)c(C(=O)O)c1)c1ccccc1 1776061249 NBMDENUVQHVZDH-UHFFFAOYSA-N 286.306 3.750 30 20 CHED C[C@@H]1CC(=NNc2ccc(F)c(C(=O)O)c2)c2ccccc21 1776064801 GOPNAJKKJQKDBW-SNVBAGLBSA-N 298.317 3.847 30 20 CHED C=CCN(Cc1cc2sc(C(=O)O)cc2s1)C1CC1 1776179731 NUMZYWJLZMFSEF-UHFFFAOYSA-N 293.413 3.811 30 20 CHED CCN(C(=O)C[C@H]1C=CCC1)[C@H](C)c1ccc(C#N)cc1 58712891 VAWDEXYKQISEGT-CABCVRRESA-N 282.387 3.824 30 20 CHED CC(C)(C#N)C(=O)OCc1ccc(-c2ccccc2)cc1 54990257 RHGHFMHJRUUJTQ-UHFFFAOYSA-N 279.339 3.947 30 20 CHED C=CCS[C@H](C)C(=O)Nc1cccc(SC)c1 114757603 YFHWBRODWKKNFC-SNVBAGLBSA-N 267.419 3.655 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 116973282 LWERWPOHDINRNU-WDEREUQCSA-N 282.334 3.632 30 20 CHED C=CC[C@H](C)NC(=O)CCCc1nc2ccccc2s1 116854942 HGZSDXXQFRODKQ-LBPRGKRZSA-N 288.416 3.700 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(CCC#N)CC(F)(F)F 177613132 UZNHINDEBVVEQK-LLVKDONJSA-N 290.329 3.507 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H](C)c2ccccc2)C1 116800456 CHNGLAXDGCCOJW-RKVPGOIHSA-N 284.403 3.769 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)N[C@](C)(C#N)CCc2ccccc2)C1 119813062 IKMYLJTZSCJWML-SUMDDJOVSA-N 298.430 3.844 30 20 CHED C=C(C)COc1cccc(NC(=O)Nc2ccccn2)c1 67014978 MAPVUQVPLNQNGI-UHFFFAOYSA-N 283.331 3.681 30 20 CHED O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccc(O)cc1 109707361 WUYYVPOODQSCAA-DHZHZOJOSA-N 291.306 3.943 30 20 CHED CN(Cc1ccc(F)cc1C#N)C1CCC(F)(F)CC1 347613201 GVLJOVKCKBGRSR-UHFFFAOYSA-N 282.309 3.707 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OCC)cc1C 105010040 WCMIPMAVQKKMPP-UHFFFAOYSA-N 276.380 3.824 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 116856057 DAIFIRRTRKRUMR-UHTWSYAYSA-N 297.320 3.890 30 20 CHED C[C@@H](CC#N)N(C)Cc1cc(Cl)cc2cccnc12 175992350 DVNFNEDKASMIKL-NSHDSACASA-N 273.767 3.622 30 20 CHED CC(C)(CCC#N)CNC1CCC(C(F)F)CC1 348209595 YWOCGRBJPWALJK-UHFFFAOYSA-N 258.356 3.730 30 20 CHED CC(C)N(CCCCCCCO)Cc1ccc(C#N)cc1 173584045 MXVUFHHSWAFCIH-UHFFFAOYSA-N 288.435 3.711 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccc(F)cc1Cl 119873797 VLBHXBGDCOWEBL-NSHDSACASA-N 281.758 3.850 30 20 CHED CC(C)C[C@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 301985000 SSVRKLGLZBWABV-OAHLLOKOSA-N 279.387 3.979 30 20 CHED Cc1cccc([C@H](C)OC(=O)Cc2ccc(C#N)cc2)c1 172430151 FVJHUASJWHKQJU-AWEZNQCLSA-N 279.339 3.714 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@H]1Nc1ccc(C#N)nn1 302187051 VUUVYBPOHWNDGT-YJBOKZPZSA-N 292.386 3.720 30 20 CHED C#CCCSc1cc(Br)ccc1OC 178168386 GOIWURXWEKHLFU-UHFFFAOYSA-N 271.179 3.573 30 20 CHED C=CCCCC(=O)Oc1ccccc1Br 177485977 BXQYQROOSWTRRF-UHFFFAOYSA-N 269.138 3.711 30 20 CHED Cc1ccc2cc(C(=O)N(C)c3cccc(C#N)c3)[nH]c2c1 63830846 BHFJWVBYLBVYGZ-UHFFFAOYSA-N 289.338 3.625 30 20 CHED Cn1cc(/C=C/C(=O)c2ccc(SC(F)F)cc2)cn1 116609469 QVJPQDAZACMIFU-FARCUNLSSA-N 294.326 3.631 30 20 CHED C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc(C#N)cc2)C1 302154605 VKTXUCYLBDGCSH-DYVFJYSZSA-N 263.344 3.541 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 116806790 IACGJRTZTXGJIM-DIFFPNOSSA-N 299.349 3.509 30 20 CHED COc1ccc(/C=C/c2ccc(C#N)cn2)cc1Cl 172691827 KADVRMVLRVRXHW-GORDUTHDSA-N 270.719 3.786 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@@H]1CCc2ccccc21 178888203 RFMBTNMLQMMASO-GOSISDBHSA-N 292.382 3.686 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1ccc(C#N)cc1 172990199 ZHQRXEFUKWYZRQ-WMLDXEAASA-N 284.403 3.528 30 20 CHED C=C(C)COCCNc1ccc(C#N)cc1C(F)(F)F 301649534 FVJCVHQXMXJHGV-UHFFFAOYSA-N 284.281 3.582 30 20 CHED CCN(Cc1ccc(C#N)cc1Cl)c1cccc(O)c1 475744895 DFIYBTCISAUTAM-UHFFFAOYSA-N 286.762 3.944 30 20 CHED Cc1ccccc1C1CCN(C(=O)NCCCCC#N)CC1 171734570 PMRLQWNVXXLSPM-UHFFFAOYSA-N 299.418 3.578 30 20 CHED COCc1cc(Oc2ccc(C#N)cc2)nc(C(C)(C)C)n1 301783437 KIPFGALMYZKFTG-UHFFFAOYSA-N 297.358 3.584 30 20 CHED C[C@H](Nc1nc2ccccc2o1)c1cccc(C#N)c1 301453073 QXZJRWQZDDJDNV-NSHDSACASA-N 263.300 3.873 30 20 CHED C#CCCCCC(=O)N1CC=C(c2cccc(C)c2)CC1 120353764 UTFNVCWYFHIZQZ-UHFFFAOYSA-N 281.399 3.804 30 20 CHED C[C@H](N[C@@H]1CCc2c(O)cccc21)c1ccc(C#N)cc1 36991933 PHPCDGNTBYTMBA-YVEFUNNKSA-N 278.355 3.602 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(-n2cccc2)c1 188115099 TWSPTGAJBYPQQL-GOSISDBHSA-N 298.386 3.645 30 20 CHED C=CCCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 78505035 GSYKRMHXKSBWFJ-UHFFFAOYSA-N 290.363 3.938 30 20 CHED C=C(C)COc1cccc(NC(=O)NC[C@H](C)SC)c1 120551742 RAFFGIWCMVEEDV-LBPRGKRZSA-N 294.420 3.515 30 20 CHED Cc1ccc(OCCCNc2nc(C)cc(C)c2C#N)cc1 507016535 YZERUXPKIPQNRJ-UHFFFAOYSA-N 295.386 3.760 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H](C[C@H]2CCOC2)c2ccccc2)C1 185870435 QCIFFVAGJZSAMZ-ISARSNTHSA-N 298.430 3.826 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C1CCC1 128099194 SFSPLLGQYUROCM-CQSZACIVSA-N 299.418 3.667 30 20 CHED CN(C(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1cc(Cl)ccc1C#N 410560397 UVWNJEAPYLUELE-MJVIPROJSA-N 288.778 3.611 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 79640853 XBRHQHVUVUGBAT-CZUORRHYSA-N 286.375 3.744 30 20 CHED C=CCCCCNC(=O)CCCc1c[nH]c2ccccc12 315113054 RGQJXLQBNIPHDP-UHFFFAOYSA-N 284.403 3.963 30 20 CHED C=CCc1cc(CN2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O 505343793 MMGSGXIDBRNEDC-KBPBESRZSA-N 289.419 3.607 30 20 CHED C=CCOCCCC(=O)N[C@H](CC)c1cccc(Cl)c1 79485151 GZHYNHNPWABKDQ-OAHLLOKOSA-N 295.810 3.890 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1C 219894062 IEMMUAHFIYUHGC-DZGCQCFKSA-N 273.376 3.560 30 20 CHED O=C(/C=C\c1cccc(Cl)c1)c1ccc(O)cc1O 210014174 WDFYNXTUDGMXOL-DAXSKMNVSA-N 274.703 3.647 30 20 CHED COc1ccc(C#N)cc1NC(=O)Nc1cc(C)cc(C)c1 502521014 RQHDTGUMTHYFLY-UHFFFAOYSA-N 295.342 3.828 30 20 CHED N#CC1(COc2ccccc2C(F)(F)F)CCC1 450757693 NPNMIYVLPQNSLN-UHFFFAOYSA-N 255.239 3.778 30 20 CHED C=Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 185271074 NLVSDUPTVAGSTH-UHFFFAOYSA-N 266.275 3.593 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1c[nH]c2cc(C)ccc12 500717891 BLRRELNXKKYLSO-OAHLLOKOSA-N 299.418 3.673 30 20 CHED CCN(C/C(C)=C\c1ccccc1COC)C[C@H](C)C#N 507586219 VWINIQFGNVABGA-DDITZMBXSA-N 286.419 3.718 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](C)CCCOC)c1ccccc1 183385718 RKUXIUXJZXNTRN-DOTOQJQBSA-N 289.419 3.873 30 20 CHED N#CCCN(Cc1ccco1)Cc1cccc(Cl)c1O 183498654 GGCPEIGRFAXQTI-UHFFFAOYSA-N 290.750 3.554 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(c3ccccc3F)CC2)c1 120144303 XBZRGGNSAFHUSV-UHFFFAOYSA-N 293.341 3.502 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCCc1ccc(Cl)cc1 500810653 VUOAJPZDBIQEKS-ZDUSSCGKSA-N 292.810 3.671 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCN(C)c2ccc(F)cc21 187949240 NKQZPWLHUUYVOT-QGZVFWFLSA-N 290.382 3.601 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 184903810 QYAUNBBJUATUTL-NEPJUHHUSA-N 293.794 3.630 30 20 CHED C[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)CC(F)(F)F 414278605 IDHPPFKHNSMBTJ-NXEZZACHSA-N 288.288 3.936 30 20 CHED CCc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)o1 180555513 BYOHNLIQAFLHKG-ZDUSSCGKSA-N 284.359 3.595 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(CCCCC#N)C1 75843310 FVFPRDPJBJXYOU-CZUORRHYSA-N 260.356 3.902 30 20 CHED CCSCC[C@@H](C)Nc1ncc(C#N)cc1Cl 78675584 WZYQIROFIUOLAJ-SECBINFHSA-N 269.801 3.550 30 20 CHED Cc1cc(C(=O)O[C@H](C#N)C(C)(C)C)c2ccccc2n1 184921225 PUIIKWIEZMXMCH-OAHLLOKOSA-N 282.343 3.638 30 20 CHED C=CC[C@@H](C(=O)NCc1cccc(F)c1)c1ccccc1 186487131 SOEKCJXYBZFPRJ-QGZVFWFLSA-N 283.346 3.802 30 20 CHED C[C@H]1CN(c2ncc(C#N)cc2Cl)[C@H]1c1ccccc1 246253873 XHQHNAKMKDLLTE-XHDPSFHLSA-N 283.762 3.804 30 20 CHED C[C@H](OC(=O)CC1CCSCC1)c1ccc(C#N)cc1 135260834 OEXQWNKJIRAXMY-LBPRGKRZSA-N 289.400 3.696 30 20 CHED C[C@@H]1CN(c2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 288402639 MXPRVAFRHUHSKC-SKDRFNHKSA-N 289.791 3.866 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1N/C(O)=N/CC[C@H]1CCOC1 329757394 MXKBNJJXYZSGPO-ZNMIVQPWSA-N 296.455 3.522 30 20 CHED Cn1nccc1/C=C/C(=O)c1ccc2c3c(cccc13)CC2 45111178 BGRIHDFVEHZCMK-CSKARUKUSA-N 288.350 3.568 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)CC(F)(F)F 413444510 WBDSGDLMEGIFDJ-WDEREUQCSA-N 280.334 3.619 30 20 CHED CCCC[C@H](CC)C(=O)Nc1cnc(C#N)c(Cl)c1 411030169 JRTSPIZCGJZDSD-JTQLQIEISA-N 279.771 3.762 30 20 CHED CC(C)CC[C@H](C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 47649306 PRDFYMLCRIVTEQ-UONOGXRCSA-N 287.407 3.743 30 20 CHED Cc1nn(C)cc1CS[C@H](C)c1ccc(C#N)cc1 419414048 DTKVRIGLDLTQOP-GFCCVEGCSA-N 271.389 3.595 30 20 CHED CC(C)(C)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 413376696 OBXRTDYJKJFNJV-GVDBMIGSSA-N 296.414 3.699 30 20 CHED CC(C)c1scnc1N=C(O)[C@@H]1CCO[C@@H]1C(C)C 329629890 WDLSQXPCERLYEA-GHMZBOCLSA-N 282.409 3.916 30 20 CHED C=CCC1(c2nc(-c3cccc(OC)c3)no2)CCC1 191313855 CDSRYVFHPBZUTQ-UHFFFAOYSA-N 270.332 3.743 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CO2 130776246 OUXXQNHMPFZDLU-GUYCJALGSA-N 278.355 3.651 30 20 CHED CCCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(C)c1 193348655 WHMSFXIXYCXPJE-WBVHZDCISA-N 286.419 3.956 30 20 CHED OC(=Nc1ccc2nncn2c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 329155568 CJVAJSWZIPXQKD-VHDGCEQUSA-N 298.390 3.924 30 20 CHED O=C(C#Cc1ccccc1)Nc1cccc(C(F)F)c1 81649943 WYIVINGWNJETMQ-UHFFFAOYSA-N 271.266 3.614 30 20 CHED C[C@@H]1CC[C@H](C/C(O)=N/[C@H]2CCC(O)=NC23CCC3)C1 328757911 VKIYDSWNVVTEIZ-AGIUHOORSA-N 278.396 3.811 30 20 CHED CC#CCCNC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 425746035 SXGNXTUIPCNVMZ-MRXNPFEDSA-N 284.403 3.583 30 20 CHED C=C(CNC(=O)N1[C@H](C)CC[C@H]1CC)c1ccccc1 512660468 NLORPTGFIZEETM-GDBMZVCRSA-N 272.392 3.672 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2ccc3ncsc3c2)CCC1=O 328957471 ZQHOTSSVVWDDMH-ZJUUUORDSA-N 288.372 3.890 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC2CCC1CC2 425116627 VXGURIXAJVAZDD-RXVBYEJPSA-N 296.414 3.904 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2sccc2O)cc1 191478164 YHIRWDCVKMRDCR-ZPMKCOPCSA-N 299.351 3.641 30 20 CHED Cc1ccc2ncc(C#N)c(O[C@@H]3CCC(C)(C)C3=O)c2c1 517323363 DNVRYJKZGVEVTQ-OAHLLOKOSA-N 294.354 3.551 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1ncc2c(c1C#N)CCC2 425236577 QICXEJIBEZFTKY-LSDHHAIUSA-N 287.432 3.528 30 20 CHED Cc1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1C 43136509 BLLLXUVTISBXPY-UHFFFAOYSA-N 293.370 3.839 30 20 CHED CCN(CCC#N)Cc1c(C)cc(C)c(C(C)=O)c1C 81017928 LJVJYESLERHOKH-UHFFFAOYSA-N 272.392 3.550 30 20 CHED 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281.403 3.823 30 20 CHED C#C[C@H](NCc1ccc(Br)s1)C(C)(C)C 380105327 MYKWXXRUUNHTOA-JTQLQIEISA-N 286.238 3.648 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2nn(C(C)C)cc2c1 806310844 FCVIMXGJCBUBQN-CQSZACIVSA-N 298.390 3.541 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 475681220 ZGFXFPBYVVOQCM-INTQDDNPSA-N 297.185 3.515 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C 298708144 ZKGNXWYTAUPVMX-UHFFFAOYSA-N 288.391 3.740 30 20 CHED C=CCCCCCCNC(=O)c1cc(C)n(C)c1C 805220829 GSCIKGKPSHLZSC-UHFFFAOYSA-N 262.397 3.508 30 20 CHED C#CCCCCC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 294394448 DEJOHTLRMUMCGY-HDJSIYSDSA-N 289.806 3.896 30 20 CHED CC(C)c1ccc([C@H]2CCCN2CCO[C@H](C)C#N)cc1 801935539 AAQVXLBAZXFPKJ-CRAIPNDOSA-N 286.419 3.876 30 20 CHED C=CCCCCNC(=O)CSc1ccc(C)cc1C 471664743 BGKXJFPKIMOJIQ-UHFFFAOYSA-N 277.433 3.868 30 20 CHED C=CCN(Cc1ccccc1F)[C@H](C)c1nnc(C)s1 298250548 UCIKNZBJUJDEJS-LLVKDONJSA-N 291.395 3.735 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2CCCCCC2)cc1 567145050 ANGIJMJIMZSWGS-QGZVFWFLSA-N 284.403 3.900 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C)c(OC)cc1Cl 290060923 IOOUFDQZOJDUEZ-AWEZNQCLSA-N 280.755 3.535 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc2c1CCCC2 642401332 VJZHSAFIQUTAGR-UHFFFAOYSA-N 270.376 3.771 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc(-n3ccnn3)c2)s1 806576081 UEYGIUPSBQZDSI-FPLPWBNLSA-N 295.367 3.533 30 20 CHED CCSc1ccccc1C(=O)OCCCSCC#N 805380639 VCYGQMSDHHVZSB-UHFFFAOYSA-N 295.429 3.602 30 20 CHED FC(F)Oc1ccc(NN=CCCC2CC2)cc1 807968469 PGBKJOLLPZEXJL-UHFFFAOYSA-N 254.280 3.876 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccccc1N(C)C1CCCC1 475023961 QTFUWAXSIDXSOZ-ZDUSSCGKSA-N 287.407 3.761 30 20 CHED C=CCC(F)(F)C(=O)NCC1(c2ccccc2Cl)CC1 815890992 XFUJCGVFJYKHGX-UHFFFAOYSA-N 299.748 3.699 30 20 CHED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 560767984 HNWQYIFEEMPBES-ZMMAXQRCSA-N 296.414 3.603 30 20 CHED COc1ccc(C=NNc2ccc3ccccc3n2)cc1C 812377887 BBUYIJLVIWBAKG-UHFFFAOYSA-N 291.354 3.998 30 20 CHED C#CC[C@@H](NC(=O)c1cc(O)ccc1Cl)c1ccccc1 810750231 HPYBTORJNLDPNO-MRXNPFEDSA-N 299.757 3.540 30 20 CHED CC[C@@H](C)CON=Cc1ccc2ccc(F)c(F)c2n1 814938611 PGMZSGZBFMQUAL-SNVBAGLBSA-N 278.302 3.910 30 20 CHED C=CCN(C(=O)C1(c2ccc(C)cc2)CCC1)C(C)C 819241539 RIDMMIGSWZNAMZ-UHFFFAOYSA-N 271.404 3.840 30 20 CHED C#CC[C@@H](N[C@H]1CCc2cccnc2CC1)c1ccccc1 817580015 GKJRITYIVRRFOV-AZUAARDMSA-N 290.410 3.683 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)CCC2CCC2)cc1 572375664 SLMKCZBHLZGMPH-QGZVFWFLSA-N 284.403 3.852 30 20 CHED CN(Cc1ccc(C#N)cn1)[C@H]1CCC[C@@H]1C(C)(C)C 573576792 QAGFYGBJLIXGAD-HOTGVXAUSA-N 271.408 3.600 30 20 CHED C[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)C[C@H](c2ccccc2)C1 576220244 IEMGOAOBFLMZAF-DKKFBQAASA-N 295.430 3.992 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)NCC1(C#N)CC1 578299629 LVGLXTZUVILTMX-CQSZACIVSA-N 279.428 3.681 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cncc(-c2ccccc2)c1 488814156 IZTQIELFUYGWKX-SFHVURJKSA-N 292.382 3.929 30 20 CHED C=CCC(F)(F)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 815899033 CPGUOAHJBBOUMZ-LBPRGKRZSA-N 286.281 3.622 30 20 CHED C=CCCCC(=O)NCCCOc1cccc(C)c1C 489637010 INJZHELWFMHWFP-UHFFFAOYSA-N 275.392 3.545 30 20 CHED CC(CCc1ccccc1F)=NOCCOC(C)C 812240198 KHJICDZGMIPYNF-UHFFFAOYSA-N 267.344 3.576 30 20 CHED C=CCOc1ccccc1C(=O)N1Cc2ccc(C)cc2C1 482858931 QGDDEXAMHVGVKC-UHFFFAOYSA-N 293.366 3.716 30 20 CHED C=CCCOCCNC(=O)Nc1cccc(CC)c1CC 487607794 RVYVIRPVQWLRES-UHFFFAOYSA-N 290.407 3.526 30 20 CHED C[C@H]1CN(Cc2ccccc2)CCC1=NOC/C=C/Cl 811668892 VETBARARMWOCEZ-FERLRNGMSA-N 292.810 3.654 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC(=O)N1CCC(CCC#N)CC1 575271181 RMGORLDKQRTTJW-IJEWVQPXSA-N 291.439 3.536 30 20 CHED C=C(C)Cn1c(CC2CC2)nnc1N1CCCCCCC1 812186458 SLYDHGAITFYGTC-UHFFFAOYSA-N 288.439 3.577 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(O)c(C)c1 728226491 QNPZOKHBODDBAW-UHFFFAOYSA-N 299.330 3.753 30 20 CHED Cc1ccc(C=NN[C@@H](C)COc2ccccc2)c(C)c1 811667053 NSUZCOHBNOQXLE-INIZCTEOSA-N 282.387 3.694 30 20 CHED COCCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCC[C@@H]1C 488974986 HBDVTGBUNDCGEK-KSSFIOAISA-N 286.419 3.504 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)C[C@@H](C)C1 572260835 MKSPFIJYUNLVHE-RBSFLKMASA-N 290.455 3.850 30 20 CHED C=CC[C@@H](C)C(C)=NNc1nc2cc(F)c(F)cc2[nH]1 727778570 MTQRNDRSWWGCTE-MRVPVSSYSA-N 278.306 3.841 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1scnc1C1CC1 495097707 IYQRYGIZZYGFRD-UHFFFAOYSA-N 283.400 3.524 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)c(C)c1 571553868 LMTPYAROGIDDPX-GOSISDBHSA-N 284.403 3.896 30 20 CHED C[C@H](CC(=O)OCCCCC#N)C1CCCCC1 725970467 XVDZQFBCUSMZGX-CYBMUJFWSA-N 251.370 3.830 30 20 CHED COc1ccc(/C=C2/CCc3sccc3C2=O)cc1 726891255 HNKKPRAYFNKTTQ-BENRWUELSA-N 270.353 3.969 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(F)cc1 729146132 MQEWEVXEZRJCOR-UHFFFAOYSA-N 270.351 3.772 30 20 CHED Cc1cc(N(C)C)cc(C)c1NC(=O)CCCCCC#N 588949536 IUBCETQRLOBDHY-UHFFFAOYSA-N 287.407 3.782 30 20 CHED C=CCN(CCc1noc2ccccc12)C(C)(C)C 661757658 KENQAVQZWXCDLY-UHFFFAOYSA-N 258.365 3.657 30 20 CHED C[C@H](NN=Cc1ccc(N(C)C)c(F)c1)c1ccccc1 727651211 NEVMIAOGDHLWJB-ZDUSSCGKSA-N 285.366 3.576 30 20 CHED CC(C)N(CC1CCC1)C(=O)/C=C\c1ccccc1C#N 588596216 GJRQDAUMDNSTPO-KHPPLWFESA-N 282.387 3.609 30 20 CHED N#Cc1cccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)n1 589455291 OJLBTHYONVZTJZ-MRXNPFEDSA-N 297.402 3.528 30 20 CHED C=C(CC)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 494493258 IMBLCVNHFGXOIH-GJZGRUSLSA-N 265.784 3.726 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](CC=C)C1 660990825 IDEGRPTUGIGAKQ-GJZGRUSLSA-N 264.413 3.729 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)/C(F)=C/C2CCCCC2)C1 828292281 BNRMSFNPQBUXPS-DNXIFWLFSA-N 278.371 3.572 30 20 CHED C=C(Br)COC(=O)C[C@H]1CCc2ccccc21 734631813 SLHBJDNFTNQZQK-GFCCVEGCSA-N 295.176 3.558 30 20 CHED C[C@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 588146977 VXZQSJTUVFMUHZ-LBPRGKRZSA-N 278.783 3.991 30 20 CHED Cc1cc(C)cc(N(C)Cc2ccc(OCC#N)cc2)c1 731211578 PAPMRGQRTOMSLI-UHFFFAOYSA-N 280.371 3.842 30 20 CHED CC(/C=C\C(=O)c1cncs1)=C\c1ccccc1 735793433 YTHCFYKNEYGMMQ-HVTAIUIQSA-N 255.342 3.986 30 20 CHED C=C(C)CNc1ccc(C)c(NC(=O)C(C)(C)C)c1 732195783 UUTQXVZMXQRDDE-UHFFFAOYSA-N 260.381 3.968 30 20 CHED CCC/C=C\C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 731645023 DTDIVVPUZJNGGA-UKOWJOKBSA-N 296.292 3.743 30 20 CHED CC(C)c1nc2cc(NC(=O)C#CC(C)(C)C)ccc2o1 837336527 IQFHSLOGBDAGGG-UHFFFAOYSA-N 284.359 3.939 30 20 CHED Cc1c(C(=O)NC2CC=CC2)sc2ccc(C#N)cc12 589984882 HHTZYDSHOULCKE-UHFFFAOYSA-N 282.368 3.530 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1ccccn1)CC(C)C 830188536 VPJXDNCPKLZJOV-OAHLLOKOSA-N 274.408 3.669 30 20 CHED CC(C)(CC(=O)N[C@](C)(C#N)C1CCCCC1)C1CC1 581086342 WWRXBPRDXLJNEX-QGZVFWFLSA-N 276.424 3.791 30 20 CHED C#CCCCNC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 836330749 XPIWKQVYEXIVEU-KRWDZBQOSA-N 296.414 3.727 30 20 CHED N#Cc1cnc2ccccc2c1N1CC[C@H](CC2CC2)C1 581738941 IQTMUIOUANMOLA-CQSZACIVSA-N 277.371 3.733 30 20 CHED COc1cccc2c1CC/C(=C\c1ncc(C)s1)C2=O 834441802 VRFIZUPPVAAWMF-DHZHZOJOSA-N 285.368 3.673 30 20 CHED O=C(/C=C\c1ccc(O)cc1)c1ccc(O)c(Cl)c1 588480357 SVIOMHKNZCHFOE-CLTKARDFSA-N 274.703 3.647 30 20 CHED CCC(=O)c1ccc(OC(=O)[C@@]2(C#N)CC23CCCC3)cc1 839211626 PZQZNKDGNLNTHN-SFHVURJKSA-N 297.354 3.659 30 20 CHED C=CC(C)(C)C(=O)OCC(=O)Nc1ccccc1C(C)C 837864188 CLICUOPXZNPEKB-UHFFFAOYSA-N 289.375 3.504 30 20 CHED CC[C@H](N[C@@H](C)[C@](C)(OC)C1CC1)c1cccc(C#N)c1 903019079 JRLHSFXYRYROAR-KKXDTOCCSA-N 286.419 3.803 30 20 CHED O=C(c1cc2ccccc2o1)N(O)Cc1ccc(F)cc1 901379346 VRDSENMMCMMFLU-UHFFFAOYSA-N 285.274 3.604 30 20 CHED C=C(C)CNc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 834602829 VFQKWWKIDXZFJD-UHFFFAOYSA-N 293.432 3.699 30 20 CHED Fc1ccc(NN=Cc2ccc(N3CCCCC3)cc2)nc1 731318538 KQDCEPHKUPEXTF-UHFFFAOYSA-N 298.365 3.657 30 20 CHED Cc1cccc(/C=C\C(=O)c2csc(C(=O)O)c2)c1C 731158897 LIHFSGXHBOMNTD-SREVYHEPSA-N 286.352 3.959 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2Cl)ccc1O 916135236 NEEAWOIZHFNHFL-VURMDHGXSA-N 288.730 3.950 30 20 CHED CCc1cc(N[C@H](C(=O)O)c2ccc(C#N)cc2)ccc1C 833671815 PXKUHSNOLCYWFB-KRWDZBQOSA-N 294.354 3.667 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1 679904964 PTYKNBDYIRWKLA-JCGIZDLHSA-N 299.414 3.902 30 20 CHED Cc1c(Cl)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1 590585378 YDSNOTCVFWFHKT-UHFFFAOYSA-N 299.683 3.784 30 20 CHED CCN(C(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21)[C@@H](C)C#N 598361366 HMWGLPQXKFIBEO-ILXRZTDVSA-N 284.403 3.737 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1c2ccccc2C[C@H]1C 678921066 ATKMGPJPAHPMOF-ZIAGYGMSSA-N 272.392 3.892 30 20 CHED C[C@@H](CCc1ccc2c(c1)OCO2)/N=C/c1ccccc1O 745625185 UEZPZDWYPYBSIC-MDBUFAAASA-N 297.354 3.561 30 20 CHED N#CCCCCOC(=O)Cc1c(Cl)cccc1Cl 912956502 HDBMRZHILPYXFD-UHFFFAOYSA-N 286.158 3.773 30 20 CHED CC[C@@H](C#N)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 593399529 HPYQVZKZIKMKJZ-MNOVXSKESA-N 298.308 3.775 30 20 CHED CCN(C(=O)[C@@H](C)c1c(Cl)cccc1Cl)[C@H](C)C#N 598355469 CZPXZEIAQHOONA-ZJUUUORDSA-N 299.201 3.857 30 20 CHED CC(C)CON=C(CC1CCCCC1)c1ncccn1 749630840 BIWOGUSZPUMOCS-UHFFFAOYSA-N 275.396 3.824 30 20 CHED COc1ccc(-c2noc(C3(C#N)CCCCC3)n2)c(C)c1 599190365 XPXODUWKPHGUGP-UHFFFAOYSA-N 297.358 3.779 30 20 CHED C=C(C)COC(=O)CSc1ccc(Cl)cc1 916588447 YWXLYYXRNNRJGG-UHFFFAOYSA-N 256.754 3.551 30 20 CHED COCCOc1cccc(C=NNc2cc(C)cc(C)c2)c1 917540852 WGMSPNAKBYSTIO-UHFFFAOYSA-N 298.386 3.775 30 20 CHED C=C1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1 591062844 OODWEPAHLIRCKQ-UHFFFAOYSA-N 287.378 3.816 30 20 CHED C/C(=C\c1ccco1)C(=O)N[C@@](C)(C#N)C1CCCCC1 846929637 XOMOSFOEKCBXIR-HVJHFUJKSA-N 286.375 3.662 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C1CCC2(CC1)CC2 597584626 RJYWJQYVDZBUMP-QGZVFWFLSA-N 294.398 3.632 30 20 CHED C[C@H]1CC(OC(=O)c2ccc(C#N)cc2)C[C@H](C)C1 744214448 KEGOYONLTMYAMI-VXGBXAGGSA-N 257.333 3.540 30 20 CHED Cn1ccc(C=NOCc2ccc(C(F)(F)F)cc2)c1 746577828 WOYKDPFNOVYGKV-UHFFFAOYSA-N 282.265 3.595 30 20 CHED Cc1ccccc1C[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1O 917556872 QDHVQRGDUQBWHQ-FHNWIRHTSA-N 298.342 3.659 30 20 CHED COc1cccc(CSc2nc(C)nc(C)c2C#N)c1C 916563429 XARWREARVVUYLT-UHFFFAOYSA-N 299.399 3.574 30 20 CHED C=CCN(Cc1ccc(O)cc1)Cc1ccccc1F 679396109 PRLVYNKJWVMDCR-UHFFFAOYSA-N 271.335 3.720 30 20 CHED CCC(COC)=NOCc1ccc(C(F)(F)F)cc1 746575870 JMNDAHMIIVTSAC-UHFFFAOYSA-N 275.270 3.634 30 20 CHED C=CCCSCCNC(=O)c1cc(C(C)C)oc1C 597971341 WZBQQIKSVMOFJK-UHFFFAOYSA-N 281.421 3.751 30 20 CHED N#Cc1ccccc1COC(=O)[C@H]1CCCc2ccccc21 912699856 ZOFCIGYUDIIUEO-SFHVURJKSA-N 291.350 3.722 30 20 CHED Cc1cccc(-c2nnc(S[C@H](C)CCC#N)o2)c1 591124348 GDWRAMWJOCJKBN-LLVKDONJSA-N 273.361 3.829 30 20 CHED CCC[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)OCC 599058783 GAATXVMQKUSMOW-AEFFLSMTSA-N 286.419 3.730 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NCC1(C#N)CCC1 597153972 MINQQDSKSXOFTM-HNNXBMFYSA-N 276.811 3.945 30 20 CHED CO[C@H](C=NNc1nc(C(F)(F)F)cs1)CC(C)C 841629841 WQAOQRGTWDEREP-QMMMGPOBSA-N 295.330 3.621 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc(C(C)C)c(Cl)c1 594088723 SUCWVPXYLOWEOW-GFCCVEGCSA-N 278.783 3.838 30 20 CHED CCc1oc2ccccc2c1C=NOCc1ncc(C)o1 742352846 YVHDULTVXMOXAS-UHFFFAOYSA-N 284.315 3.842 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1ccco1)c1ccc(C)c(C)c1 845478082 UVUTUKSJGODQPW-OAHLLOKOSA-N 296.370 3.979 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC[C@@H]1CC 685541219 JTNYRFWLBYDDAC-AWEZNQCLSA-N 274.412 3.501 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(Cl)nc1 748999234 PYRGXMJXVGRYTH-VURMDHGXSA-N 257.720 3.940 30 20 CHED O=C1/C(=C\C2=Cc3ccccc3OC2)Oc2ccccc21 742437114 QRRHCUVPTIHMBC-LICLKQGHSA-N 276.291 3.622 30 20 CHED CCC1(CNC(=O)N2CCC[C@H](CC#N)C2)CCCCC1 596564229 RBVNQJXEICZDRW-OAHLLOKOSA-N 291.439 3.682 30 20 CHED C=CCCN(C)C(=O)CCCCCc1ccc(O)cc1 682612135 SFHDQCWOOVLOPX-UHFFFAOYSA-N 275.392 3.530 30 20 CHED C=C[C@@H](C)ON=C(CC1CCCCC1)c1ncccn1 844623455 GXABYWJJKVJZEH-CYBMUJFWSA-N 273.380 3.742 30 20 CHED Cc1cc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)n(C)n1 841620103 UBWGCBAQUJZWGN-AWEZNQCLSA-N 284.407 3.537 30 20 CHED C=CC(C)(C)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 841351168 ALCZWPCYXHJHDH-UHFFFAOYSA-N 292.688 3.905 30 20 CHED C=C[C@H](C)ONC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 845639858 SOOAUEYQZMYHFZ-QWRGUYRKSA-N 282.771 3.549 30 20 CHED N#CC1(CCOC(=O)C(C2CC2)C2CC2)CCCCC1 840361355 VWXFHFDQECJTFX-UHFFFAOYSA-N 275.392 3.830 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1nc(Cl)c(C#N)s1 841224352 LSPTUHGKJSMGDP-ZETCQYMHSA-N 285.800 3.679 30 20 CHED Cc1cnc2cc(C(=O)OCCCCC(C)(C)C#N)ccn12 848782203 IBSTZXFDZFCQNK-UHFFFAOYSA-N 299.374 3.520 30 20 CHED C[C@@H]1CCCC[C@@H]1CNc1snc(Cl)c1C#N 920337169 AXWJWWVPLBICJJ-RKDXNWHRSA-N 269.801 3.906 30 20 CHED C=C[C@@H](C)ONC(=O)N(CC)[C@H](CC)c1ccccc1 845633868 OVPSOFZBCYMPCT-UKRRQHHQSA-N 276.380 3.675 30 20 CHED OCc1cccc(N=Cc2c(O)ccc3ccccc23)c1 920945386 XFEAKZNVVTTWGM-UHFFFAOYSA-N 277.323 3.788 30 20 CHED C=CCCCCC[C@@H](C)NCc1c(C2CC2)cnn1C 850534473 KCGXTPNRCCROIJ-CQSZACIVSA-N 275.440 3.912 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(OC(C)C)cc1 683788466 OJLHKUGTAYBMLF-OAHLLOKOSA-N 273.376 3.655 30 20 CHED CC1(C)CC(=NO[C@@H]2CCCCO2)c2ccc(F)cc2O1 755821035 OJSCNVVZGQDGIJ-OAHLLOKOSA-N 293.338 3.634 30 20 CHED CCc1ccc(C)nc1NCc1ccc(O[C@H](C)C#N)cc1 850357051 WYGHVPQLXIVPFZ-CQSZACIVSA-N 295.386 3.855 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cnc3ccccc3c2C)C1 855438345 FXQROROEHYFYLX-HNNXBMFYSA-N 294.398 3.972 30 20 CHED COc1ccc(NN=C[C@H]2CCc3ccccc32)cc1 755801047 GCVUFDDZIAMQOD-CQSZACIVSA-N 266.344 3.823 30 20 CHED N#Cc1ccc(CNCc2ccc(F)c3cccnc23)cc1 759274570 GZBZOZOGGYGSBD-UHFFFAOYSA-N 291.329 3.535 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@H]1c1cccc(C)c1C 753250114 ZIFBNHRVYCJWOR-NVXWUHKLSA-N 284.403 3.562 30 20 CHED C/C(=C\C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 921274182 VDTCAPNKFVHBNX-FMIVXFBMSA-N 280.302 3.739 30 20 CHED C[C@H](C[C@@H](O)c1ccc(F)cc1)N[C@H](C)CC(C)(C)C#N 925295020 WACMWVWBIGPXDO-XJKCOSOUSA-N 292.398 3.556 30 20 CHED Cc1ccnc(NN=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 755901049 SQGDWTHBVHLHDY-UHFFFAOYSA-N 298.346 3.868 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC(c2ccccc2)CC1 929723247 GZBGGWCSHCLMOD-OAHLLOKOSA-N 271.404 3.995 30 20 CHED CCCOc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1OC 858604480 KNVAIAHFVWSTQN-QWHCGFSZSA-N 274.364 3.588 30 20 CHED Cc1cc(Cl)cc2c1OCCC2=NO[C@@H]1CCCCO1 755815973 BSLCAKYOKXJPML-CQSZACIVSA-N 295.766 3.678 30 20 CHED Cc1cc(C(=O)OC[C@H](C#N)Cc2ccccc2)ccc1F 750782025 FWYZMJPIIURFQW-HNNXBMFYSA-N 297.329 3.673 30 20 CHED Cc1cc(Cl)cc2c1OCCCC2=NOCC(F)F 758904876 UHDYWTWOXWWTRP-UHFFFAOYSA-N 289.709 3.807 30 20 CHED CSc1ccc(COC(=O)c2ccc(C#N)s2)cc1 750397216 KTNAXBOBQACJDL-UHFFFAOYSA-N 289.381 3.699 30 20 CHED C#CC[C@H](NC(=O)N1C[C@H](C)CC1(C)C)c1ccccc1 757762336 OKNONYGJVJWLKF-ZBFHGGJFSA-N 284.403 3.581 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)CCc1ccncc1 851144084 PFSOROLSKPGNCI-HZPDHXFCSA-N 273.376 3.692 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@@]1(C)CC1(Cl)Cl 851204473 AEUOZMSQLTXJHV-SKDRFNHKSA-N 292.206 3.832 30 20 CHED CC1(C)C[C@]1(C(=O)[C@H](C#N)c1ccccn1)c1ccccc1 850755542 GBFFBRRXYLXUIM-DNVCBOLYSA-N 290.366 3.626 30 20 CHED C#C[C@H](CC)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 754389751 DVMJGYNDNJZNEN-MWLCHTKSSA-N 284.186 3.625 30 20 CHED C#CC(C)(C)NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 754647301 YNBZHABFJJPLSN-UONOGXRCSA-N 269.388 3.504 30 20 CHED C=C(Cl)CSCCC(=O)Nc1ccc(OC)cc1 853783992 UCMMLEBLMNEUMN-UHFFFAOYSA-N 285.796 3.510 30 20 CHED N#CC1(OC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)CCC1 762095125 PAXDLBNXBIIITL-DLBZAZTESA-N 291.350 3.933 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 933860156 KXORNWMEZPDATP-KBAYOESNSA-N 296.414 3.887 30 20 CHED CCOc1cccc(/C=C\C(=O)O[C@H](C)C(C)(C)C#N)c1 860623576 NDYZJQPEQMVEKS-ASCRHOAZSA-N 287.359 3.580 30 20 CHED Cc1ccc(C)c(C=NNCc2cnc3ccccc3c2)c1 764775378 KCJJLXMJNTWZQB-UHFFFAOYSA-N 289.382 3.975 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1oc2ccccc2c1OC 935599105 BIVFGNKBQPFVJJ-LBPRGKRZSA-N 287.359 3.660 30 20 CHED C#C[C@@H](OC(=O)C[C@@H]1C=CCC1)c1ccc(C)cc1 860965051 CBBRRTRGCOLMIH-GDBMZVCRSA-N 254.329 3.569 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1(C#N)CCCCC1 768628064 AREPUSNTTDMAEI-UHFFFAOYSA-N 276.380 3.724 30 20 CHED Fc1cc(NN=C2CCCC2)ccc1Br 769829581 SDHCIFHYJNDXNT-UHFFFAOYSA-N 271.133 3.930 30 20 CHED N#Cc1ccc(NN=C2CC[C@@H]2c2ccccc2)cc1 769780677 JJSKKHPXSHOAAE-MRXNPFEDSA-N 261.328 3.904 30 20 CHED COc1cc(F)ccc1NN=C(C)c1cc(F)cc(F)c1 761886257 XSTVZFYQGWIGCH-UHFFFAOYSA-N 294.276 3.949 30 20 CHED N#Cc1c(F)ccc(/C=C/C(=O)c2cscn2)c1Cl 761478385 FLECQFKIGHXVSR-DUXPYHPUSA-N 292.722 3.703 30 20 CHED N#C[C@H](C(=O)C1=CCCC1)c1ccc2ccccc2n1 761010245 HYVPUOHSKNFUPK-AWEZNQCLSA-N 262.312 3.521 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(C(F)F)cc1 767651946 YRYYQQMDMGZMEA-UHFFFAOYSA-N 266.287 3.717 30 20 CHED CCCCCCCNC(=O)[C@H](C)c1nc(C)cs1 862355309 HXKPDDKHCKJXOY-LBPRGKRZSA-N 268.426 3.642 30 20 CHED C=CCC[C@H](C)OC(=O)c1c(C(F)F)nc2n1CCCC2 869844283 MXRAVALHOWVASL-JTQLQIEISA-N 298.333 3.669 30 20 CHED C#CCCc1noc([C@H](C)CCc2cccc(F)c2)n1 762009330 PNDNMTSWLBZAOM-GFCCVEGCSA-N 272.323 3.511 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cccc(F)c1F 768675471 YPPZXQQUWIOVCX-UHFFFAOYSA-N 281.302 3.842 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(O)c2)cnc1Cl 760261411 BFIIMGLRLHGZLQ-AATRIKPKSA-N 273.719 3.645 30 20 CHED Cc1ncsc1/C=C\C(=O)c1ccc(F)cc1N(C)C 764442314 NXZUUHFBXQOWAQ-SREVYHEPSA-N 290.363 3.553 30 20 CHED C#CCCc1noc([C@H](C)CCc2ccccc2F)n1 762009666 AGVFOFNKKXVHIV-GFCCVEGCSA-N 272.323 3.511 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2ccc(F)cc2C)cc1 767727708 BQYHYZGMHTWQNM-CSKARUKUSA-N 298.313 3.817 30 20 CHED Cc1ccc(CC(=O)OCCCCC(C)(C)C#N)cc1O 768834029 JTSANJVFWUDDCV-UHFFFAOYSA-N 289.375 3.506 30 20 CHED N#C[C@H](OC(=O)c1nccc2ccccc12)C1CCCCC1 776380021 VDTBVWHJHKDXES-INIZCTEOSA-N 294.354 3.864 30 20 CHED COc1cccc(/C=N/[C@@H](C)c2ccc(N(C)C)cc2)c1O 773907895 VWWKFGYMYWXNJC-HCZVKUGISA-N 298.386 3.647 30 20 CHED C#CCCCCC(=O)Nc1ccc2c(cnn2C(C)C)c1 773302128 HGUCAQBACHQXJS-UHFFFAOYSA-N 283.375 3.749 30 20 CHED CCC(=NOCCC(F)(F)F)c1ccc(C#N)cc1 773071745 BGDUANREUJPVJR-UHFFFAOYSA-N 270.254 3.641 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)OCCC(C)(C)C#N 776379093 LIDQZGDOIXDHGF-OLZOCXBDSA-N 251.370 3.686 30 20 CHED CS[C@@H]1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 775392070 HEVBUEDWEUCYSV-ZMSDIMECSA-N 286.444 3.809 30 20 CHED C=CC[C@H](NC(=O)/C(C)=C(\C)CC)c1ccncc1 779944562 QUSLQKCNLNEFAC-LHNRBYRGSA-N 258.365 3.561 30 20 CHED CC(C)(C#N)CCOC(=O)C1(Cc2ccccc2)CCC1 776396219 DGKUPAFSGPWBRX-UHFFFAOYSA-N 285.387 3.882 30 20 CHED C=C[C@@H](CC(=O)OCc1cnoc1C1CC1)c1ccccc1 773544525 IAIBMNLKENAMKJ-ZDUSSCGKSA-N 297.354 3.955 30 20 CHED N#Cc1ccc(C(=O)N(c2ccccc2)C2CC2)c(F)c1 1129029316 WGWLMVYHZQXONM-UHFFFAOYSA-N 280.302 3.507 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cc(C)on1 777230913 LMHWFHRFHOZIGY-UHFFFAOYSA-N 274.345 3.513 30 20 CHED Cc1cc([C@@H](C#N)C(=O)[C@H](C)CC2CCCCC2)nc(C)n1 1122445133 NDYXEUHVHLDYJE-MLGOLLRUSA-N 299.418 3.876 30 20 CHED CCOC(=O)C1CCC(=NN[C@H]2CCCCC2(C)C)CC1 773126079 SWLZREOXYIWRCL-WUJWULDRSA-N 294.439 3.654 30 20 CHED Cc1ccc(N(C)C(=O)c2ncc(C#N)cc2Cl)c(C)c1 770079870 VVQUKPTWJOAKRH-UHFFFAOYSA-N 299.761 3.500 30 20 CHED CC(=NN=c1cc[nH]cc1)c1cc2cc(C)c(C)cc2o1 779807034 MFWSHYFZSGBFLR-UHFFFAOYSA-N 279.343 3.703 30 20 CHED C#CC(C)(C)NC(=O)Nc1cccc(Cl)c1OC(C)C 775519720 BJPRQMHUSDQWEW-UHFFFAOYSA-N 294.782 3.661 30 20 CHED C[C@H](OC(=O)c1cccc2[nH]ccc12)c1cccc(C#N)c1 782940667 FOWNDNWMUFUMCH-LBPRGKRZSA-N 290.322 3.958 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2[nH]ccc2c1 783566941 XHQUQQGFLINSRD-UHFFFAOYSA-N 270.332 3.655 30 20 CHED N#Cc1ccc(NC(=O)c2ccc3scnc3c2)cc1F 1129567033 OZWFICOSTODOLU-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Fc1cccc(C2CC(=NNc3ccccn3)C2)c1 781579164 QEXALDQEHWMEAQ-UHFFFAOYSA-N 255.296 3.566 30 20 CHED C=C(C)Cn1c(N2CC[C@H](C)[C@@H]2CC)nnc1C(C)(F)F 1122430166 OXERHIGRKWOVGG-RYUDHWBXSA-N 298.381 3.591 30 20 CHED CCCCCC[C@H](C)CC(=O)NCc1ccc(C#N)cn1 782027764 RBHIVLKTRZMGIF-AWEZNQCLSA-N 287.407 3.566 30 20 CHED C=C(Cl)CN1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 784351492 GWYDKCOMXNWCBU-XHDPSFHLSA-N 265.784 3.831 30 20 CHED CC/C(C)=C(/C)C(=O)N(CCC#N)c1ccc(C)cc1 780916596 XYNMMPSVWHHEKO-PFONDFGASA-N 270.376 3.988 30 20 CHED CCCC(=NOCc1cccnc1)c1ccsc1 785458033 WVKQXAPFLUIXFZ-UHFFFAOYSA-N 260.362 3.864 30 20 CHED C#CCCCNCc1ccc(F)c(Cl)c1Cl 390758050 JRWADVVOSDSWIV-UHFFFAOYSA-N 260.139 3.636 30 20 CHED C=C[C@H](CC(=O)OCC1(OC)CCCC1)c1ccccc1 791435833 OHOQSWWBEUEUJX-OAHLLOKOSA-N 288.387 3.849 30 20 CHED C=C(C)CCc1noc(/C=C/c2ccc(Cl)nc2)n1 795767354 MHYBKGZGFBAKDS-VMPITWQZSA-N 275.739 3.797 30 20 CHED Cc1cccnc1NN=Cc1sc(Cl)nc1Cl 790192762 DPOZMQUCKQAJLN-UHFFFAOYSA-N 287.175 3.599 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(CCC#N)CC(C)C 793239465 ABDYMXJCHBTKCO-LSDHHAIUSA-N 264.413 3.601 30 20 CHED CCOc1ccc(Cl)cc1CN(CCC#N)CC1CC1 1204496980 LBNWLGQUUZZWHU-UHFFFAOYSA-N 292.810 3.864 30 20 CHED C=CC[C@H](NC(=O)[C@H](C)CCCC)c1ccncc1 799938541 XJJSOHADTCQDSR-HIFRSBDPSA-N 260.381 3.641 30 20 CHED CC(C)n1nccc1/C=C1/Oc2ccc(Cl)cc2C1=O 794942567 OKCJVYSASTWXRV-RIYZIHGNSA-N 288.734 3.734 30 20 CHED C=CC[C@H](CC)NC(=O)CCCSC(C)(C)C 798551799 WCBAPQXDBJYVIU-LBPRGKRZSA-N 257.443 3.769 30 20 CHED CC[C@H](C)NN=C(C)c1sc(C(C)C)nc1C 790184139 RKKQGIOABQUTNO-VIFPVBQESA-N 253.415 3.687 30 20 CHED CSCCON=C(C)c1ccc(SC)c(F)c1 794572296 FBNICMAFGYGOAP-UHFFFAOYSA-N 273.398 3.651 30 20 CHED CSCCON=Cc1cc(C)c(OC(F)F)c(C)c1 794574301 ASTBKGSYVFGFIG-UHFFFAOYSA-N 289.347 3.618 30 20 CHED C[C@@H](NN=Cc1ccc(-c2cnn(C)c2)s1)C(C)(C)C 793114720 ITLQPGMAMRKHHB-LLVKDONJSA-N 290.436 3.507 30 20 CHED COc1ccc(N[C@@H](C)CC(C)(C)C#N)c(F)c1 895695957 DQZZJASGVFFRFL-JTQLQIEISA-N 250.317 3.575 30 20 CHED COc1cc(OCCCCC(C)(C)C#N)ccc1C=O 1322008096 VLVAMTZIEIQXCC-UHFFFAOYSA-N 275.348 3.607 30 20 CHED C=CCN(C(=O)[C@H](C)OC1CCCCC1)c1ccccc1 1318510721 MTHKDQSSAGFHEW-HNNXBMFYSA-N 287.403 3.943 30 20 CHED CCCc1ccc(COC(=O)c2sccc2C#N)cc1 1318119811 QXJQMXJLHMWJPQ-UHFFFAOYSA-N 285.368 3.929 30 20 CHED N#Cc1ccc(CNCc2ccc(OC(F)F)cc2)s1 135670569 ZHYJQQKDVUCKRI-UHFFFAOYSA-N 294.326 3.511 30 20 CHED C[C@H](c1ccccc1)n1ccc(Nc2ccnc(C#N)c2)n1 1162786126 FLJYTBHRPSIKRA-CYBMUJFWSA-N 289.342 3.503 30 20 CHED CSCc1cccc(NC(=O)c2cccc(C#N)c2C)c1 1325205523 WEPBWSQKFSYNKR-UHFFFAOYSA-N 296.395 3.982 30 20 CHED CC(C)CN(C(=O)c1csc(C#N)c1)C1CCCC1 1326814652 MREJLFPHRYBARH-UHFFFAOYSA-N 276.405 3.661 30 20 CHED CCC(CC)(CC)CNC(=O)c1csc(C#N)c1 1324412511 KZNIVLIJNPFYKH-UHFFFAOYSA-N 264.394 3.566 30 20 CHED C#CCCCCCC(=O)N1CCc2ccc(OCC)cc2C1 1320769805 FFGMSVXUTOYLOA-UHFFFAOYSA-N 299.414 3.554 30 20 CHED C#CCOc1cccc(NC(=O)CCCCCC)c1 730977673 AGAAKNNHSLLKEF-UHFFFAOYSA-N 259.349 3.608 30 20 CHED C[C@H]1CCC[C@@H](CN(CCC#N)Cc2ccccn2)C1 92799554 NJQKTJNKWPRFPU-JKSUJKDBSA-N 271.408 3.624 30 20 CHED N#Cc1ccc(-c2nnc(CC(C3CC3)C3CC3)o2)cc1 1328347552 GKKKKUFJRJZJSG-UHFFFAOYSA-N 279.343 3.587 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc2cc(OC)ccc2c1 1328576330 WCUCODSUKFILLD-GFCCVEGCSA-N 269.344 3.543 30 20 CHED N#CCc1cccc(NCC2Cc3ccccc3C2)c1 565932408 IRLLITPTLARABX-UHFFFAOYSA-N 262.356 3.580 30 20 CHED C=C[C@H](COC)N[C@H](CC)c1cccc(Cl)c1F 1255019415 QNDTZIYGORWXDO-ZWNOBZJWSA-N 271.763 3.721 30 20 CHED CC[C@@H](C)c1nnc([C@H](C)Cc2ccc(C#N)cc2)o1 1326985921 GWOLGZLZRPSFKZ-VXGBXAGGSA-N 269.348 3.801 30 20 CHED Cc1ccc(N[C@H](C)c2cc(C)oc2C)c(C#N)n1 1333134387 VSCAAJQAMNKCPV-LLVKDONJSA-N 255.321 3.645 30 20 CHED C=CCCCCCCNC(=O)c1snnc1C(C)C 1335919871 BEIWKITXUQPSLJ-UHFFFAOYSA-N 281.425 3.528 30 20 CHED C=C[C@H](C(=O)N(C(C)C)C1CCC1)c1ccccc1 1347788106 GHYMEXBIRHBBQU-INIZCTEOSA-N 257.377 3.746 30 20 CHED Cc1ccc(NCCO[C@@H](C)C#N)c(Cl)c1Cl 1344745034 PLCYLMXROZKRGV-VIFPVBQESA-N 273.163 3.642 30 20 CHED N#CCc1cccc(N2CCC[C@@H]2c2ccc(F)cc2)n1 1342842215 LIRYIODYHFASCD-MRXNPFEDSA-N 281.334 3.628 30 20 CHED CSCCON=C(C)Cc1ccccc1Cl 1344415317 HRYWLBHWGRSFGN-UHFFFAOYSA-N 257.786 3.638 30 20 CHED C[C@@H]1CCC[C@H](OCc2nnc(-c3ccc(C#N)cc3)o2)C1 1341531857 LVOBHIKKDOGANY-DOMZBBRYSA-N 297.358 3.704 30 20 CHED Cc1ccc(COc2ccc(C#N)c(F)c2)cc1C 155618456 CFXWQZMRQNJYRF-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)CC1CC1)c1cccs1 1515589502 NQZIVSXYRAKQCM-SMDDNHRTSA-N 263.362 3.682 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](F)c1ccccc1 1526210647 YLWLHYFSEQYIOV-DYVFJYSZSA-N 296.345 3.788 30 20 CHED Cc1cc(F)c(COC(=O)c2cccc(C#N)c2)cc1F 1525905289 RPTZQFWQTKTDQY-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OC1CCCCC1 1521791620 FHVBQNKNEZMXAY-CYBMUJFWSA-N 271.360 3.613 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@@H](F)C(F)(F)F 1525265511 CKABHSSKCBYVJM-GFCCVEGCSA-N 296.223 3.550 30 20 CHED O=C(O)c1ccc(Cl)c(/C=C2/Cc3ccccc3C2=O)c1 1602358908 OLPUFVVFBZSJKU-LCYFTJDESA-N 298.725 3.861 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C 1538673632 VQRNAYXBEBAAFN-BJJXKVORSA-N 284.403 3.669 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCN(C)C2(CCCCC2)C1 1473486538 LUTFZMRGACRWCU-INIZCTEOSA-N 297.446 3.570 30 20 CHED Cc1cc(F)cc(NC(=O)[C@H](C#N)CCc2ccccc2)c1 1545541108 PHOCJIZXRBPSFV-HNNXBMFYSA-N 296.345 3.845 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1ccccc1CC#N 1618149839 JXZGGHUZHQDLDG-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CC[C@@H]1CCCCCN1C(=O)[C@H](C#N)CCc1ccccc1 1544114857 KVJJJSMYGJCCLQ-ZWKOTPCHSA-N 298.430 3.940 30 20 CHED C[C@@H](Sc1ccc(Cl)cc1C#N)c1cnccn1 1559379273 KXFFFKLFDNREMO-SECBINFHSA-N 275.764 3.855 30 20 CHED Cc1ccc(C(C)(C)CN(C)c2nc(C)ccc2C#N)cc1 1639536896 NZAFMZNKKDCKDC-UHFFFAOYSA-N 293.414 3.984 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1nccs1 1641218181 VPIXYKQQROHRAF-UHFFFAOYSA-N 264.737 3.556 30 20 CHED CC(C)[C@H]1CN(c2nc(C#N)c(Cl)s2)[C@@H]1C(C)C 1651844316 FFOFYLLZBSQMME-MWLCHTKSSA-N 283.828 3.785 30 20 CHED COc1ccc(CN[C@H]2CCC(C)(C)C[C@@H]2C)cc1C#N 1655762847 YTPYUKFRHNKEDI-BBRMVZONSA-N 286.419 3.871 30 20 CHED CCCC[C@H](CC)COC(=O)CS[C@H](C#N)C1CC1 1656237099 LELQCUJNIQYFKE-GXTWGEPZSA-N 283.437 3.781 30 20 CHED C=CC[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)O 1588759118 PQZWJVWERAFRHH-LBPRGKRZSA-N 293.319 3.602 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N(CC)C(C)C 1593879502 RZGJGCCLTOBNSF-UHFFFAOYSA-N 296.846 3.923 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)Nc1ccc(CC#N)cc1 1672505585 MCOJMJVKRWIWJD-UHFFFAOYSA-N 291.354 3.656 30 20 CHED CCC(=NNc1ccc(F)c(C(=O)O)c1)c1ccsc1 1776063533 VSQKLLFYZDHBNL-UHFFFAOYSA-N 292.335 3.812 30 20 CHED C=CCCCCN1C[C@H](C(=O)O)C[C@H](c2ccccc2)C1 1776207673 BJRKQZWYMLCIIX-DLBZAZTESA-N 287.403 3.533 30 20 CHED O=C(O)c1ccc(NN=C2C[C@@H]3CCCCC[C@@H]3C2)cn1 1776072830 PSLIQPGNUQMUOY-TXEJJXNPSA-N 287.363 3.538 30 20 CHED C=C(C)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 161057035 LOOGFLYPBFLJEB-VXGBXAGGSA-N 283.293 3.501 30 20 CHED C=C[C@H](C)NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 158638392 JWFONGKLKLASFP-ZETCQYMHSA-N 277.673 3.663 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 160555631 QLUUVFYEAKJWLK-MRXNPFEDSA-N 291.435 3.753 30 20 CHED C=CCCCOc1ccc(C(F)(F)F)c(C#N)c1 164509221 MJKKSRTUTPPNRF-UHFFFAOYSA-N 255.239 3.922 30 20 CHED C#CCCCCNC(=O)c1ccc(OC2CCCC2)cc1 156118015 IKKSQXOLYIXABV-UHFFFAOYSA-N 285.387 3.541 30 20 CHED CC(C)Oc1ccc(CN(CC#N)C2CCCC2)cc1 156679350 XECJMUODKWRSJM-UHFFFAOYSA-N 272.392 3.742 30 20 CHED COc1cc(Cl)ccc1C(=O)Nc1sccc1C#N 121182578 VPZMAYBWXPNGHR-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CCc1cc(C(=O)N(CC#N)C2CCCC2)sc1C 125375467 COQZIYNWDIRNBV-UHFFFAOYSA-N 276.405 3.527 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)C1CCCCC1 127810114 MVDCYQMSPJFZJF-NSHDSACASA-N 273.336 3.847 30 20 CHED N#Cc1ccc(Cc2nc(C3CCCCC3)no2)cc1 171795599 PMPRMJYKRMXEGU-UHFFFAOYSA-N 267.332 3.580 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1cccc(F)c1F 179912492 BJXISFDJOKYXLK-LLVKDONJSA-N 272.298 3.687 30 20 CHED N#CC1CCN(Cc2cc3ccccc3nc2Cl)CC1 57906918 CEKDUJDMZQWFDH-UHFFFAOYSA-N 285.778 3.624 30 20 CHED C=CCN(Cc1ccccc1)c1cc(Cl)nc(C)n1 302025132 GKLSDWZCPAULGO-UHFFFAOYSA-N 273.767 3.631 30 20 CHED C=CCC[C@H](C)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C 309653942 AYNLFHWZDKJWOK-JZXOWHBKSA-N 272.436 3.594 30 20 CHED N#Cc1ccc(N[C@@H]2CCC(F)(F)C2)cc1Cl 310465738 GSBPHSQEMWYWFY-SNVBAGLBSA-N 256.683 3.811 30 20 CHED N#Cc1ccc(CNC2(C(F)F)CCCCC2)s1 512884024 BGGZFQNOEZTYTF-UHFFFAOYSA-N 270.348 3.677 30 20 CHED CC[C@@H](CC#N)NC(=O)C1(c2cccc(Cl)c2)CCC1 613037392 KZRNAWHBXVKYJV-AWEZNQCLSA-N 290.794 3.570 30 20 CHED C=C(C)CN(C)C[C@H]1CCCO[C@H]1c1ccccc1 622842968 XEHFEQGFCFBECS-SJORKVTESA-N 259.393 3.662 30 20 CHED CCCc1sc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1CC 331096127 LSXJTIGLSHEZDU-CHWSQXEVSA-N 290.432 3.685 30 20 CHED CCC[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 468879635 GVFSXMABCYGVLF-CYBMUJFWSA-N 260.356 3.709 30 20 CHED N#CCC1CCN(Cc2c(F)cccc2Cl)CC1 335860587 ISWCNUIXRJZQEO-UHFFFAOYSA-N 266.747 3.605 30 20 CHED C[C@H]1CN(c2nccc(C#N)c2Cl)c2ccccc21 341721513 LNIZAWKIKRXIGE-JTQLQIEISA-N 269.735 3.862 30 20 CHED C[C@@H]1c2ccsc2CCN1Cc1ccc(C#N)c(F)c1 361689520 MVAIMOUQSHMPHK-LLVKDONJSA-N 286.375 3.878 30 20 CHED CC1(C)CN(c2c(C#N)cnc3ccccc23)C1(C)C 690300336 OIFIROAXYPJALD-UHFFFAOYSA-N 265.360 3.731 30 20 CHED C#C[C@](C)(CC)NCC1CCC(C(F)(F)F)CC1 712984557 RKESRJMZSAMCJI-WXRRBKDZSA-N 261.331 3.747 30 20 CHED C=CC[C@H](CC)N[C@@H](C)CCc1ccc2c(c1)OCO2 393794718 OIMFDMZKQPOQIT-ZFWWWQNUSA-N 275.392 3.681 30 20 CHED C=C(C)CNC(=S)N(Cc1ccccc1)CC(C)C 745694910 LLWZMARTBQCOAW-UHFFFAOYSA-N 276.449 3.595 30 20 CHED C=CCC1(O)CCN(Cc2cccc(Cl)c2C)CC1 895828773 YGKOXAGEXKRWLS-UHFFFAOYSA-N 279.811 3.551 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@@H](C)CC 783871095 BMKVZSZIZFIBJY-AWEZNQCLSA-N 261.365 3.569 30 20 CHED C=C(C)CSc1nnc(Nc2ccccc2OC)s1 3494497 IVDQQGYGRNHDMD-UHFFFAOYSA-N 293.417 3.959 30 20 CHED COc1ccc(SCc2cccc(C#N)c2)cc1 19847630 HMWZRQGGPORJAD-UHFFFAOYSA-N 255.342 3.859 30 20 CHED CCOc1ccc(NCc2ccc(C#N)cc2)cc1 19902314 CPLYMPHUTWDMDR-UHFFFAOYSA-N 252.317 3.569 30 20 CHED CCCC[C@H](CC)CNC(=O)/C=C/c1ccccc1C#N 29431418 ZBXIQNUQKJCALT-RUMSDORHSA-N 284.403 3.904 30 20 CHED Cc1ccc(O)c([C@@H](C)Nc2ccc(OCC#N)cc2)c1 35628813 CBFAHWIDCPQTQZ-CYBMUJFWSA-N 282.343 3.776 30 20 CHED C[C@H](NCc1ccc(Cl)o1)c1ccc(C#N)cc1 37502478 DDLOZECNARNDQQ-JTQLQIEISA-N 260.724 3.655 30 20 CHED C=C(Br)CN[C@H](C)c1ccc(C)cc1 49556724 GYGMRIDBMOCARG-LLVKDONJSA-N 254.171 3.554 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccoc1 53275840 FWLOJXDDQYPSNK-UHFFFAOYSA-N 281.764 3.823 30 20 CHED O=C(/C=C/c1cccnc1)c1cccc(OC(F)F)c1 57815756 HOYVFQMHSZIVKJ-VOTSOKGWSA-N 275.254 3.579 30 20 CHED CCc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)s1 58535515 HTNHTSHEEUKZCQ-UHFFFAOYSA-N 299.399 3.698 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2ccc(C)cc2)c1C 60370800 JZNJAIKQVVKUKH-ZHACJKMWSA-N 268.360 3.724 30 20 CHED CCSc1nnc(Sc2cccc(F)c2C#N)s1 65514435 JOJNCNLYENQHCA-UHFFFAOYSA-N 297.405 3.812 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cccnc1)CO2 66408261 GSHHMBFMMYDWTJ-OVCLIPMQSA-N 279.339 3.864 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(OCC)c(Cl)c1 69356081 KSCDILSSKRTABD-LLVKDONJSA-N 297.782 3.658 30 20 CHED C=CCSCC(=O)N[C@H](c1ccccc1)C1CCCC1 71935196 VTUWCUSXHOVZGL-QGZVFWFLSA-N 289.444 3.953 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1)C1CC1 72484896 KMBPJCZBTGFXCS-MRXNPFEDSA-N 272.392 3.745 30 20 CHED C=C(Cl)CSc1nnc(-c2ccc(C)cc2)o1 72645751 ODRDBIXCKJSVER-UHFFFAOYSA-N 266.753 3.890 30 20 CHED CC[C@@H]1CN(C(=O)C(C)(C)C#N)CC[C@H]1c1ccccc1 74285155 WWHMTCCBCAZOQO-GDBMZVCRSA-N 284.403 3.578 30 20 CHED C=CCN(CC=C)C(=O)NC[C@H](C)Sc1ccccc1 74823200 DEMYGMUXPNLRJT-AWEZNQCLSA-N 290.432 3.551 30 20 CHED CC(C)[C@@H](CNCc1cccc(C#N)c1)Nc1ccccc1 76161298 FUHWHSMUAMJRST-LJQANCHMSA-N 293.414 3.785 30 20 CHED N#C[C@@H](C(=O)C1CC1)c1nc2cc(Cl)ccc2s1 76606503 MLNZEBDAQOJHTD-VIFPVBQESA-N 276.748 3.536 30 20 CHED CCc1ccccc1CN[C@H](C)c1cccc(C#N)c1 84200262 GZGPGTSLZRLPGT-CQSZACIVSA-N 264.372 3.971 30 20 CHED Cc1cc(C#N)cc(C)c1OCCCOCC(F)(F)F 88154109 DACRUNSDNDBCEK-UHFFFAOYSA-N 287.281 3.523 30 20 CHED Cc1ccc(CNc2ncccc2C#N)c(OCC2CC2)c1 88741619 FBMVTFCCUAHJFY-UHFFFAOYSA-N 293.370 3.663 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cc(F)cc(F)c1 93101084 XBBHYUGLCNGYTK-UHFFFAOYSA-N 266.335 3.727 30 20 CHED C=CCSc1nnc(-c2cccc(Cl)c2)n1CC 98066028 ZBXUNSQRLPYINK-UHFFFAOYSA-N 279.796 3.897 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cn1 111998559 DRQGDWRJBUOYRX-JXMROGBWSA-N 280.371 3.678 30 20 CHED C[C@@H](CC#N)OC(=O)c1cccc(Oc2ccccc2)c1 113696350 YFGSLNGEEPJRAS-ZDUSSCGKSA-N 281.311 3.938 30 20 CHED CC[C@@H](Cc1ccccc1)Nc1cccc(C#N)c1 116381855 LBPNKJORCLSMKN-INIZCTEOSA-N 250.345 3.991 30 20 CHED C=CC[C@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 116859639 AOGRTLDMJKATLU-NSHDSACASA-N 281.783 3.578 30 20 CHED C=CC[C@H](C)NC(=O)N(Cc1ccco1)Cc1ccco1 116974232 WQFRJPAOZORAGR-ZDUSSCGKSA-N 288.347 3.549 30 20 CHED C#CCCCCC(=O)N(Cc1cccc(F)c1)C1CC1 119562968 BVEFFFAFZZQNDZ-UHFFFAOYSA-N 273.351 3.510 30 20 CHED C=C[C@@H](CC(=O)NCc1ccccc1OC)c1ccccc1 122182417 UICFBRPXPXCWES-HNNXBMFYSA-N 295.382 3.671 30 20 CHED C=C(Br)CNCc1c(Cl)cccc1Cl 122713206 XHWPLEOOBPJNST-UHFFFAOYSA-N 295.007 3.992 30 20 CHED CC(C)(C#N)CCSc1nnc(-c2ccccc2F)[nH]1 123669668 CDKNQJJZHSSMSX-UHFFFAOYSA-N 290.367 3.643 30 20 CHED C=CCn1c(SCC(F)F)nnc1-c1ccccc1C 124107670 BRCRQGCFXMLTJT-UHFFFAOYSA-N 295.358 3.797 30 20 CHED CCc1nnc(SCc2ccccc2)c(C#N)c1CC 125400259 SZMVWLHYRYKAHV-UHFFFAOYSA-N 283.400 3.765 30 20 CHED C=CCN(C(=O)c1cc(F)c(F)cc1F)c1ccccc1 126725086 ULEGOLGEWGNCEH-UHFFFAOYSA-N 291.272 3.937 30 20 CHED C=CCC[C@@H](CC)N[C@H]1CCOC2(CCCC2)C1 127055127 ITICKADUZIGYJM-CABCVRRESA-N 251.414 3.813 30 20 CHED C=C[C@@H](CC(=O)N(C(C)C)C1CC1)c1ccccc1 128807490 GRKMGDCYTHJILP-AWEZNQCLSA-N 257.377 3.746 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(C#N)cc1 128932753 CZSFTJHHVDOMEY-ZDUSSCGKSA-N 286.375 3.625 30 20 CHED C#Cc1cccc(N(C(=O)c2ccnn2C(C)C)C(C)C)c1 132470952 FQBMLIDUWNLNLJ-UHFFFAOYSA-N 295.386 3.501 30 20 CHED C[C@H]1CC[C@@H](Nc2nc3ccccc3cc2C#N)C1 132732726 IOBIKPGMXGZAMU-SMDDNHRTSA-N 251.333 3.707 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2ccoc2)cc1 133999850 KJADWZSKZSPGNM-ZDUSSCGKSA-N 257.333 3.695 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3ccc(C#N)s3)ccc21 134509680 DCRPUZKEKBCRAM-ZZXKWVIFSA-N 294.379 3.508 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)cc1Cl 136183770 UCBFOCLDKLUDAH-ZDUSSCGKSA-N 250.729 3.527 30 20 CHED CCCCCCCC(=O)NCc1ccccc1F 136772197 JDQBZPWUPQDUCT-UHFFFAOYSA-N 251.345 3.802 30 20 CHED N#Cc1ccsc1NC(=O)[C@H]1CCCc2sccc21 137796089 KLMILZJMPPISIH-NSHDSACASA-N 288.397 3.740 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1cc2c(ccc3ccccc32)[nH]1 148152925 PDEGMUYSNJKZJX-LBPRGKRZSA-N 291.354 3.553 30 20 CHED C=CCCSCCC(=O)Nc1cccc(Cl)c1 151979127 XWMJFOKQEZGMNQ-UHFFFAOYSA-N 269.797 3.978 30 20 CHED N#CCC[C@@H](NC(=O)c1cc2occc2[nH]1)c1ccccc1 154188798 FDRNFYWZOMOKTA-CYBMUJFWSA-N 293.326 3.536 30 20 CHED COc1cc([C@@H](C)NCc2ccc(C#N)s2)ccc1F 154467937 HAKIDXSCNUSMLK-SNVBAGLBSA-N 290.363 3.618 30 20 CHED C=CCc1cc(CN(C)Cc2ccccc2)cc(OC)c1O 154470920 VGGPCSFSVWGLST-UHFFFAOYSA-N 297.398 3.761 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(C)cc1C 155132685 STNQQKOONJQCTO-OAHLLOKOSA-N 274.408 3.528 30 20 CHED C=CCN(C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 156170515 VIEJATXCUKUBPD-UHFFFAOYSA-N 278.355 3.908 30 20 CHED C=CCCCCCN(C)C(=O)CCc1ccc(C#N)cc1 156873907 VSKAVUYKVINSDR-UHFFFAOYSA-N 284.403 3.696 30 20 CHED N#CCSCC(=O)N1CCC[C@H]1CCC1CCCCC1 161646495 ZTDKMCHUPCHEHA-HNNXBMFYSA-N 294.464 3.595 30 20 CHED C#Cc1cccc(N(CC)Cc2c(CC)noc2C)c1 163474152 JOLOAKDHMTYERR-UHFFFAOYSA-N 268.360 3.553 30 20 CHED N#CCCCCNC(=O)C[C@@H](c1ccccc1)C(F)(F)F 171498932 FJNWWWAQFVWIBV-ZDUSSCGKSA-N 298.308 3.533 30 20 CHED CCN(C(=O)c1ccc(C)c(C)c1)c1ccc(C#N)cc1 174075785 HVNCWRFGHFCXJR-UHFFFAOYSA-N 278.355 3.842 30 20 CHED CC1CCN([C@H](CNCC(C)(C)CCC#N)C(C)C)CC1 174266459 YCSXVKFCTKCRGM-QGZVFWFLSA-N 293.499 3.662 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)c1cscc1C 175355886 IATSGJNPXCNZDG-UHFFFAOYSA-N 287.340 3.546 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCc1ccccc1C#N 179094856 ITCWNRHAZWGZHN-HUUCEWRRSA-N 264.372 3.840 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc(-c3ccccc3F)o2)C1 179908640 JSMANLUKNBAYGA-NEPJUHHUSA-N 299.301 3.935 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 179941217 GECNYNPGZLVIQF-QWHCGFSZSA-N 279.811 3.990 30 20 CHED C#CCCCNCc1ccc(SC(F)F)cc1 180949909 CQTPGIOXCNESLK-UHFFFAOYSA-N 255.333 3.504 30 20 CHED CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 181998668 ZUKKBYVOZGEUEE-FZKQIMNGSA-N 298.361 3.736 30 20 CHED C=CCOc1ccc(CN[C@H](CC)CC#N)cc1Cl 184095247 YTIQXCRMLKCTHV-CYBMUJFWSA-N 278.783 3.687 30 20 CHED CCc1nc([C@H](C)NCC#Cc2ccc(F)cc2)cs1 184680111 CJEMWMKCOBDRMU-LBPRGKRZSA-N 288.391 3.547 30 20 CHED N#CCC[C@H](NCc1cc(O)cc(F)c1)c1ccccc1 185604474 KURMWFUYBNDTRR-KRWDZBQOSA-N 284.334 3.666 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccccc1)c1nccs1 185689599 HIXDHJGGLCLJCX-INIZCTEOSA-N 298.411 3.542 30 20 CHED CCOc1cccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 185804660 VQCNQDKODFTTJH-OFQRWUPVSA-N 272.392 3.818 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)cc1OCC(F)F 185989567 IVTHRBFUVGXCLZ-UHFFFAOYSA-N 299.292 3.602 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 188472786 UAGKYWNMLDAFNG-KDOFPFPSSA-N 297.402 3.652 30 20 CHED CC[C@H](CC#N)NC[C@H](C)c1cccc(Cl)c1 188487050 NPTVDVGQJYTIPN-SMDDNHRTSA-N 250.773 3.725 30 20 CHED N#CCCSc1ccccc1NCC[C@H]1CCCO1 189645564 MYTOULJZSXFNFE-CYBMUJFWSA-N 276.405 3.673 30 20 CHED C=CCC[C@H](NCCOCC(F)F)c1ccccc1 189854753 SYYIHKZSFWDTKG-AWEZNQCLSA-N 269.335 3.565 30 20 CHED CCOc1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1 189904864 RBVWAZUDLXYRBY-UHFFFAOYSA-N 288.391 3.630 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(C(F)(F)F)cc1 189962906 JLAMSSOSDPUQMN-CQSZACIVSA-N 285.309 3.924 30 20 CHED C#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 192079840 QCMJXWUJZYOGGD-UHFFFAOYSA-N 298.308 3.513 30 20 CHED CCCC1CCC(N(C)C(=O)c2ccc(C#N)cc2)CC1 192273115 FISPFXCXDUFCAX-UHFFFAOYSA-N 284.403 3.989 30 20 CHED CC1(C)CCCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 192578559 YJCABILBZKYGQU-HNNXBMFYSA-N 270.376 3.908 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc(OC(F)(F)F)cc2)C1 192626559 BXDBHWLMWUFMSS-QWHCGFSZSA-N 298.308 3.757 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H](c2ccccc2)[C@H]2CCCO2)C1 192772354 JANFNAXRCOYAKZ-DZOHQFGASA-N 284.403 3.579 30 20 CHED C[C@H](NCCc1ccccc1F)c1ccc(OCC#N)cc1 192918713 ZGSGIBPXNQGTNU-AWEZNQCLSA-N 298.361 3.621 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@@H]1c1cccs1 193736201 NIWWVBAYZDYLBX-OAHLLOKOSA-N 298.411 3.836 30 20 CHED C[C@@H](CC#N)NC(=O)c1cccc(Oc2ccccc2)c1 194743909 XZCCIADSNCXETK-ZDUSSCGKSA-N 280.327 3.511 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1Cl 209108704 CRZWMIFZSURBGR-KTKRTIGZSA-N 282.730 3.864 30 20 CHED C=CCN(CC=C)[C@@H](C(=O)O)c1ccccc1C(F)(F)F 212260928 PGRMQWFHWSHUKO-CYBMUJFWSA-N 299.292 3.505 30 20 CHED N#Cc1ccc(SCc2ccccc2Cl)nc1 220731694 WGIVDRYGEQSUQK-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C#C[C@@H](CC)NCc1ccc(Cl)c(Br)c1 229892129 DCHGPSNABLFYSA-JTQLQIEISA-N 286.600 3.604 30 20 CHED C[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)Cc1cccs1 248715468 BVLWNOOBEZEGPV-BFHYXJOUSA-N 262.422 3.599 30 20 CHED COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 248733139 MPYOABQGSQPGLO-WQVCFCJDSA-N 292.810 3.699 30 20 CHED Cc1noc(C)c1CON=Cc1ccccc1OC(C)C 250995188 UBCRXQDRHPZTIZ-UHFFFAOYSA-N 288.347 3.629 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(OCC#N)cc1 252109887 HPSVKVHQMKUYPF-DVOMOZLQSA-N 258.365 3.826 30 20 CHED CCOc1cccc(C=Nc2ccc(OC)cc2C)c1O 255054962 VYSAUVXHFYJNGP-UHFFFAOYSA-N 285.343 3.859 30 20 CHED COc1cc(C(=O)/C=C\c2cc(C)ccc2F)ccc1O 255263728 NXKUPQGQYFDZGE-DAXSKMNVSA-N 286.302 3.744 30 20 CHED C=CCCC(=O)N1CCCC[C@H]1Cc1ccccc1 263816877 OWPJHLIIHIYNBQ-INIZCTEOSA-N 257.377 3.576 30 20 CHED CC(C)CCN(CCC#N)C(=O)CCCc1cccs1 264081175 QEBHNDKLBAPBEZ-UHFFFAOYSA-N 292.448 3.859 30 20 CHED C#CCCCNc1ccc(C)c(OCC2CCOCC2)c1 270918999 NGLMVZFNJHQJNB-UHFFFAOYSA-N 287.403 3.626 30 20 CHED C=CCCN(C)C(=O)c1ccc(OC(C)(C)C)cc1 276211155 CDIQKCBQJLVSRT-UHFFFAOYSA-N 261.365 3.512 30 20 CHED C#CCC1(C(=O)N2CCc3cc(F)ccc3C2)CCCCC1 276710909 VPVHNLWUJOEAQY-UHFFFAOYSA-N 299.389 3.684 30 20 CHED CC[C@H](N[C@H]1CCO[C@H](C(C)C)C1)c1ccc(C#N)cc1 278367432 BWWQEQNTXWLWNP-BZSNNMDCSA-N 286.419 3.803 30 20 CHED Cc1cccc(-c2noc(C3(C#N)CCCC3)n2)c1F 279054140 RTFNJDVPXQFBQX-UHFFFAOYSA-N 271.295 3.520 30 20 CHED CCN(C[C@@H](O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 279337675 HXVQPBXAKRQKOL-DNVCBOLYSA-N 294.398 3.675 30 20 CHED C[C@@H](NC[C@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 280347207 HQUDSCUTBXXCMK-YPMHNXCESA-N 264.319 3.644 30 20 CHED C=CCCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 280814155 UDXXAESYWRAVCM-LBPRGKRZSA-N 293.716 3.558 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc2[nH]ccc12 281255218 DXWMDEKDCQIOKX-NSHDSACASA-N 257.337 3.644 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](c1ccccc1)C1CC1 281531561 XRWOPYJPTDUNFN-HOTGVXAUSA-N 257.377 3.651 30 20 CHED C[C@]12CCN(Cc3ccccc3C#N)C[C@H]1C2(Cl)Cl 284922129 VVSNMYNIFSYLPY-KGLIPLIRSA-N 295.213 3.574 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc(SC)cc1 285680764 FYZCAYIYQPLGQQ-NHYWBVRUSA-N 277.389 3.953 30 20 CHED C=C[C@@H](CC(=O)N[C@H]1CCC1(C)C)c1ccccc1 286688113 KSGRGZJZSOUNAQ-ZFWWWQNUSA-N 257.377 3.651 30 20 CHED C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCCC#N 291069656 FABIOBDCCQKKFT-LLVKDONJSA-N 287.388 3.510 30 20 CHED N#CCCCC(=O)Nc1ccccc1OC1CCCC1 291557838 TWJXEUQLZYGDRS-UHFFFAOYSA-N 272.348 3.640 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(c2ccc(O)cc2)CC1 292678748 IKMSACXAGLEAFH-UHFFFAOYSA-N 287.403 3.701 30 20 CHED C=CCC(C)(C)CN[C@@H](c1ccccc1)c1ncc[nH]1 293586919 CJUQJYBXXPHZHY-HNNXBMFYSA-N 269.392 3.691 30 20 CHED C=CCCc1noc(Cc2csc(C(C)(C)C)n2)n1 297273487 KWHMRYLSTJFRSS-UHFFFAOYSA-N 277.393 3.533 30 20 CHED C=CCCc1noc([C@@H]2CCCN(Cc3ccccc3)C2)n1 297416611 UKNDAZUZWDHEAP-MRXNPFEDSA-N 297.402 3.568 30 20 CHED C=C(C)CN(CC)c1ccc2cc([N+](=O)[O-])ccc2n1 301707675 CEWALNQEDNNFSQ-UHFFFAOYSA-N 271.320 3.545 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1ccc(Cl)c(C#N)n1 301709804 JVKSSEQWKSGJLC-OLZOCXBDSA-N 293.798 3.612 30 20 CHED N#Cc1ccccc1Oc1c(F)cc([N+](=O)[O-])cc1F 301785004 LHXNAHDRCSGTRC-UHFFFAOYSA-N 276.198 3.537 30 20 CHED N#Cc1ccc(N2CCc3c(-c4ccccc4)cccc32)nn1 302193589 MXCIUPDXIQJWCZ-UHFFFAOYSA-N 298.349 3.709 30 20 CHED Cc1cc2[nH]ncc2cc1Nc1snc(Cl)c1C#N 302714374 LRNATGQPXYINBX-UHFFFAOYSA-N 289.751 3.597 30 20 CHED C=CCN(CC=C)C(=O)CCOc1ccc(C(C)C)cc1 302951764 DCRGMXFORGDLAC-UHFFFAOYSA-N 287.403 3.780 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccc(C#N)c2)c1 303966870 QPRFGACAPHJZIH-OAHLLOKOSA-N 292.382 3.536 30 20 CHED C[C@@H](N[C@@H](CCCO)c1ccccc1)c1cccc(C#N)c1 305756606 ALWDMRNGPUASCT-BEFAXECRSA-N 294.398 3.723 30 20 CHED Cc1cccc(C(=O)Nc2ccc(C#N)c(F)c2)c1C 307968527 VBYBNUFJSLHAPP-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC1(C)CCC(CNC(=O)c2ccc(C#N)cc2)CC1 312795040 QRIZIQBFAVLMEB-UHFFFAOYSA-N 270.376 3.504 30 20 CHED CCc1nnsc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329019624 LLIQZMDQPXYQAT-SDDRHHMPSA-N 293.436 3.764 30 20 CHED Cc1nnsc1C/N=C(/O)[C@@H]1C[C@@H]1C1CCCCC1 329085143 GEPWQXLSHGFBIE-VXGBXAGGSA-N 279.409 3.519 30 20 CHED Cc1ccc(N=C(O)CCC2CCOCC2)c2[nH]ncc12 329643757 YXYBDSXHYPVPBU-UHFFFAOYSA-N 287.363 3.666 30 20 CHED CCc1onc(C)c1N=C(O)Nc1scnc1C1CC1 330044042 AOSWBGSXJOLQGD-UHFFFAOYSA-N 292.364 3.537 30 20 CHED Cc1[nH]nc(-c2ccccc2)c1N=C(O)[C@H]1CC[C@H](C)O1 330099812 ZZKJJGBTQJBJHO-GXFFZTMASA-N 285.347 3.541 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(C(F)(F)F)c1 335770197 ASMLUGJVGJKNFO-UHFFFAOYSA-N 294.232 3.731 30 20 CHED CN(Cc1ccc(Br)s1)[C@@H]1CC[C@H](C#N)C1 335903360 MWGMZTSYPSRMDX-VHSXEESVSA-N 299.237 3.635 30 20 CHED Cc1ccc2[nH]c(CN3CCC(C)(C#N)CC3)cc2c1C 336065454 ANTTZTQZXYKGEX-UHFFFAOYSA-N 281.403 3.910 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1F 336325733 ANPGJHBZVUWUOS-LBPRGKRZSA-N 282.318 3.748 30 20 CHED CC[C@@H](NCCCC1(C#N)CCOCC1)c1cccs1 337205675 LBBUOERXPBCWRM-CQSZACIVSA-N 292.448 3.889 30 20 CHED C=CCNC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 337494254 PVWVJDJEKUYVFX-CQSZACIVSA-N 278.371 3.788 30 20 CHED C[C@H](Cc1cccc(Cl)c1)NCC1(CC#N)CC1 338436163 HHURKAXNMOKQFV-GFCCVEGCSA-N 262.784 3.554 30 20 CHED CCOc1ccccc1CNc1ncc(C#N)cc1Cl 339131029 BQQDRJVZGBQNAI-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CCc1cnc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 341713332 ZONXUTIWXFDQPF-INIZCTEOSA-N 297.427 3.744 30 20 CHED C=CCCO[C@H](C)C(=O)N(CC)[C@H](C)c1ccc(F)cc1 341853904 PEVMXYVADIJWPR-ZIAGYGMSSA-N 293.382 3.716 30 20 CHED C=CCOc1ccc(CNc2ncc(C#N)cc2Cl)cc1 343226631 RJUKQUSTOOARBH-UHFFFAOYSA-N 299.761 3.784 30 20 CHED N#CC1(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1 343317685 FEDLBAOWGKNQEJ-UHFFFAOYSA-N 297.377 3.790 30 20 CHED CCS[C@H]1CCCC[C@H]1Nc1nccc(C)c1C#N 343523513 GUJAJPNGXQCRNQ-KGLIPLIRSA-N 275.421 3.738 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 343698251 FTFXKYBOABJHDX-MNOVXSKESA-N 281.812 3.693 30 20 CHED C=CCSCCN[C@@H]1CCCc2ccc(F)cc21 344300426 VAZCGXPAMBMTFZ-OAHLLOKOSA-N 265.397 3.712 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CSC1CCC(C)(C)CC1 344494834 HCPFLRSAVBWZLF-ZDUSSCGKSA-N 296.480 3.697 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C#N)oc1C)CCC2 344674047 XQYJAAOXPHIGTI-KRWDZBQOSA-N 294.354 3.576 30 20 CHED Cc1csc(NC(=O)[C@H]2CCC[C@H](C)C2)c1C#N 344919817 FHZDPTXWQQEWQG-ONGXEEELSA-N 262.378 3.693 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 345787779 FOMFFWNJMBXXIF-ZIAGYGMSSA-N 297.402 3.670 30 20 CHED CSc1ccsc1C(=O)NCC(C)(C)CCC#N 345906817 MPWKPQJMRYNJQB-UHFFFAOYSA-N 282.434 3.530 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(C2CCC(C)CC2)no1 346246966 FWZVTJDQLBQDKW-HOAMVYINSA-N 276.380 3.812 30 20 CHED C=C(C)CCc1noc(-c2cc(C)ccc2-n2ccnc2)n1 347217532 NXQIKXHOODTTCF-UHFFFAOYSA-N 294.358 3.739 30 20 CHED Cc1ccnc2ccc(C(=O)Nc3ccc(C#N)cc3)cc12 349448896 SEODWQRYSFFAKJ-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCn1c(C2CCC2)nnc1N(CC)Cc1ccccc1 350805340 ZUDBNGXIWOJFBV-UHFFFAOYSA-N 296.418 3.758 30 20 CHED C=CCCNc1ccccc1C(=O)NCc1ccccc1 354315718 HRBHKVZXSAJDOM-UHFFFAOYSA-N 280.371 3.605 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 355462844 YJJGIGSADROSNU-OAHLLOKOSA-N 285.387 3.763 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H](C)c1ccccn1 355688324 YREZEJITWYBDMR-AWEZNQCLSA-N 270.351 3.970 30 20 CHED CCC[C@@H](C)C(=O)N(CCC#N)CC(CC)CC 356572704 AWSNAOGLHALDMG-CYBMUJFWSA-N 252.402 3.601 30 20 CHED C=CCC[C@H](N[C@H]1CN(CC)C[C@@H]1C)c1ccccc1 358324545 BTTOENZYTPCXFM-SZMVWBNQSA-N 272.436 3.624 30 20 CHED C=CCOc1ccc(C(=O)N(C)C2CCC(C)CC2)cc1 358815323 QDVAHFYPYYCQAS-UHFFFAOYSA-N 287.403 3.902 30 20 CHED Cc1cc([C@@H](C#N)C(=O)c2ccc(Cl)cc2C)nc(C)n1 361672103 QOGNOSZSYVYORN-CQSZACIVSA-N 299.761 3.545 30 20 CHED Cc1cc(NCC2(CC#N)CC2)c2cccc([N+](=O)[O-])c2n1 362358919 LEMZOGASCFWGLN-UHFFFAOYSA-N 296.330 3.557 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@](C)(OC)CC1 377005088 BNFMDKWOYAXSPL-QGZVFWFLSA-N 296.455 3.724 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1ccn(C)n1)CCO2 378399906 IHWFVHIBRIISDN-GXDHUFHOSA-N 296.370 3.592 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 379930123 UJJPMFHOITXLBV-CQSZACIVSA-N 296.455 3.578 30 20 CHED C=C(Br)CNC1(c2ccc(F)cc2)CCC1 381809376 HCPYEVHUYNRRNA-UHFFFAOYSA-N 284.172 3.703 30 20 CHED C=CC[C@@H](CC)NCC1CCN(C(=O)OC(C)(C)C)CC1 393756274 IAYXLSNRONVPSR-OAHLLOKOSA-N 296.455 3.578 30 20 CHED C=CCCC[C@H](C)Nc1ccc(OC(F)F)cn1 398171294 YUHKGFRMMUAXTF-JTQLQIEISA-N 256.296 3.840 30 20 CHED CCOc1ccccc1[C@H](C)NCc1ccc(C#N)c(F)c1 404830508 IEMOKJVGFBEHJT-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED CCC1(CC)CCC(NC(=O)C2(C#N)CCC2)CC1 408310842 UYZWZXMSLWFMNB-UHFFFAOYSA-N 262.397 3.545 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 410128130 QBDZYZFZYFFOCF-GXTWGEPZSA-N 295.810 3.887 30 20 CHED C[C@@H]1C[C@@]1(NC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 410361943 WTNMTTZEZIFHGA-BZNIZROVSA-N 290.794 3.631 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H]3CCC[C@H]32)CCCC1 410523306 BUFXDHMXSLNAEC-LSDHHAIUSA-N 261.409 3.914 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)N(CC)c1ccc(C#N)cc1 410530853 XMRBMASFWVGWLY-HOCLYGCPSA-N 270.376 3.737 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(SCC)cc1 410836195 QPTNSIVDVNJBAX-CYBMUJFWSA-N 276.405 3.563 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C[C@@H]1C=CCC1 410964647 IGZSWWTUEGRXQS-LLVKDONJSA-N 274.751 3.701 30 20 CHED N#Cc1cc(F)ccc1N1CCSC2(CCC2)CC1 413486522 WENQMHDGHVRDPG-UHFFFAOYSA-N 276.380 3.563 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC=C(C)C1 413840064 UYQSWVSKDYIAHA-QGZVFWFLSA-N 284.403 3.535 30 20 CHED Cc1occc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 414392623 BSQSTUHUDAZRAR-QZTJIDSGSA-N 280.371 3.860 30 20 CHED CC(=O)c1ccc(Cl)cc1OCCC(C)(C)C#N 416931713 MJANWVPFZZFCIR-UHFFFAOYSA-N 265.740 3.861 30 20 CHED CC[C@H]1CC[C@H](C(=O)N2CCc3c(C#N)cccc32)CC1 421659051 VRIWAQWBRUJHJW-HDJSIYSDSA-N 282.387 3.664 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1sccc1C 424537756 HKSVSFPRDKFBCD-UHFFFAOYSA-N 251.395 3.617 30 20 CHED CC(C)[C@@H](C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425120791 BDFDUYIOGWYATA-KBPBESRZSA-N 272.392 3.760 30 20 CHED CCN(Cc1ccccc1Cl)[C@H]1CC[C@@H](C#N)C1 429704903 BRCSRCBHULQDGM-OCCSQVGLSA-N 262.784 3.854 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc(C(C)C)n1 431869969 HKLJXBBCTKUUTI-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 434420815 IDVZVHRWWZJZGD-XHDPSFHLSA-N 290.794 3.847 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2cccc(OCC)c2)CCC1 437217558 BMHPQULAFXAWSZ-DLBZAZTESA-N 299.414 3.804 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](C)C1CCCCC1 437487817 BOZUTTHKYLCHFE-KYJSFNMBSA-N 293.451 3.690 30 20 CHED CCSCc1cccc(NC(=O)NCCCCC#N)c1 438385360 ZXPKCKCYSNOWQT-UHFFFAOYSA-N 291.420 3.755 30 20 CHED CC[C@@H](F)CN(Cc1ccc(C#N)cc1)CC(C)C 440703624 RYRLORZYXHXAEH-MRXNPFEDSA-N 262.372 3.764 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)CC1 443157780 LLCBUNJCYGRZJM-TZMCWYRMSA-N 271.364 3.649 30 20 CHED CCC(CC)[C@H](CCNCc1ccc(C#N)c(C)c1)OC 443997911 YTSIUDOIFWLQQW-SFHVURJKSA-N 288.435 3.798 30 20 CHED CC[C@H](NCCc1cccs1)c1ccc(C#N)cc1 447517693 LYWJDJWEDYXBBX-INIZCTEOSA-N 270.401 3.903 30 20 CHED CC[C@H](NCCOc1ccccc1C)c1ccc(C#N)cc1 447533703 YKDRXHZJQJQJBH-SFHVURJKSA-N 294.398 3.986 30 20 CHED C=CC1CCN(C(=O)c2c(C)cccc2Cl)CC1 448955866 NBTHFPZWEZUQKI-UHFFFAOYSA-N 263.768 3.687 30 20 CHED C=CCC1(CNC(=O)N(CC)C(C)C)CCCC1 451954306 XFNDDFXPEODWEH-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](CCC)c1ccsc1 453345995 GLJWSZRSNVAZJG-MCIONIFRSA-N 251.395 3.522 30 20 CHED C=C(C)CCNC(=O)NCc1cc(Cl)sc1Cl 454753412 GUAUVNFXSTVWBV-UHFFFAOYSA-N 293.219 3.820 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2nn(C(C)C)cc2c1 454904132 XIALLIQRGZYLJV-UHFFFAOYSA-N 286.379 3.705 30 20 CHED C=CCOc1ccccc1CNC(=O)C1=CC[C@H](C)CC1 455598827 OMJCROCRHANNFT-AWEZNQCLSA-N 285.387 3.614 30 20 CHED CC(C)Sc1ccc(C(=O)NCC(C)(C)CC#N)cc1 457993217 VFLFURGRYPWMJB-UHFFFAOYSA-N 290.432 3.857 30 20 CHED CC(C)C1CCC(CNC(=O)N(C)CC(C)(C)C#N)CC1 458569248 PLKWMYSEGSSRKC-UHFFFAOYSA-N 293.455 3.640 30 20 CHED C=CCC(C)(C)CNC(=O)N1c2ccccc2C[C@@H]1C 458807108 FNHQHXRPBMZJEE-ZDUSSCGKSA-N 272.392 3.750 30 20 CHED Cc1cc(NCc2cc(C#N)cs2)ccc1CN(C)C 459783562 ZZCOMVOVCVXKSR-UHFFFAOYSA-N 285.416 3.602 30 20 CHED Cc1ccc(-c2noc(-c3cccc(C#N)c3)n2)c(F)c1 460145053 ZUIYIFJZKIGATG-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CCCOc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 463239317 XSAFDTACWGCSIK-RDJZCZTQSA-N 286.419 3.956 30 20 CHED CC[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccc(C)cc1 464713219 RBJXWOVVHNJNDN-GDBMZVCRSA-N 286.419 3.933 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@H](C#N)C(C)(C)C)cc1 464716167 ZMBVMXHEUXLTKJ-MRXNPFEDSA-N 286.419 3.797 30 20 CHED C=C[C@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 465108253 KQJNHZOHKTZNNW-VIFPVBQESA-N 292.791 3.768 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(Cl)ccc1F 466389428 QPIIHRJOXBIEGJ-SNVBAGLBSA-N 270.735 3.955 30 20 CHED N#CCN1CCC[C@@H](Cc2csc3ccccc23)C1 466926482 KZBFBJZESAWDFY-ZDUSSCGKSA-N 270.401 3.679 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 469156054 WZNQYHVNPDRJEQ-MNOVXSKESA-N 276.767 3.976 30 20 CHED C=CCCO[C@H](C)C(=O)N1C[C@H](C(C)C)c2ccccc21 470415643 QSZNMQAWSZYEBD-GDBMZVCRSA-N 287.403 3.754 30 20 CHED CC[C@H](c1ccc(Br)cc1)N(C)C[C@H](C)C#N 472779569 TXIFBXMRFDKRHW-BXUZGUMPSA-N 295.224 3.992 30 20 CHED N#CCc1ccc(COc2ccc([C@@H]3CCOC3)cc2)cc1 479408014 GQLXBCQJCRNRCU-GOSISDBHSA-N 293.366 3.836 30 20 CHED C=CCOc1ccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)cc1 480435579 UIOZXZAVOWRKQI-MRXNPFEDSA-N 287.403 3.758 30 20 CHED Cc1cc(CN2CCC[C@@H](c3nccs3)C2)ccc1C#N 487912746 GZMJFBKMKFAGAH-MRXNPFEDSA-N 297.427 3.703 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@](C)(CCC)C1 488754771 VUSNQWAQTNEACL-KRWDZBQOSA-N 274.408 3.717 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1coc2ccccc12 488877252 YSVHOMZPFUXFAY-LBPRGKRZSA-N 255.317 3.614 30 20 CHED C#C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)C(C)C 490631367 UXBZTGBDKKKLOX-AWEZNQCLSA-N 297.320 3.569 30 20 CHED CCC(CC)CC(=O)Nc1nc2cc(C#N)ccc2n1CC 490766423 AHXOHAILRXUPOV-UHFFFAOYSA-N 298.390 3.693 30 20 CHED C#C[C@H](CCC)NC(=O)c1c(Cl)cc(F)cc1Cl 491724374 BGDQYFUQURCISM-SECBINFHSA-N 288.149 3.664 30 20 CHED Cc1ccc(C(C)(C)CC(=O)N(C)CC(C)(C)C#N)cc1 497408226 XJMBEIMUHGREOS-UHFFFAOYSA-N 286.419 3.671 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC(C(C)C)C(C)C 511334302 PWROXEQTVVCOCJ-UHFFFAOYSA-N 272.392 3.525 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)CCC1CCCCC1 512944497 DIVLXHSCMFPOLB-XJKSGUPXSA-N 264.413 3.791 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1CC(C)(c2ccccc2)C1 514250190 QBKNLQJWLZBWSG-KLHKWILBSA-N 286.419 3.761 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C(C)(C)C)C(F)(F)F 515738099 OONCIVGWGDBNNG-WDEREUQCSA-N 292.345 3.714 30 20 CHED C[C@@H](CCNCCC#N)c1cccc(C(F)(F)F)c1 516965389 SDSBUYDUMGRMHH-NSHDSACASA-N 270.298 3.702 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2cccc(C)c2F)no1 518615781 XLOYSBJQSXTBAY-INIZCTEOSA-N 290.338 3.664 30 20 CHED C/C(=C\c1ccccc1OC(F)F)CNCC1(C#N)CC1 519674147 PLXCMENDCXKPRP-XYOKQWHBSA-N 292.329 3.585 30 20 CHED CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCC1 521403136 BWQDAKOGWMZCTG-KSZLIROESA-N 296.414 3.747 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 523968528 ZIUROQHWUQQBQX-MNOVXSKESA-N 263.406 3.567 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(COC)c(C#N)c1 529814617 SDXRLPPTLFJYLH-ZDUSSCGKSA-N 288.391 3.715 30 20 CHED C=CCC[C@H](O)CN1CCC(=Cc2cccc(F)c2)CC1 535757941 UIANYXPKEDJDIS-SFHVURJKSA-N 289.394 3.632 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)Nc1ccc(C#N)cc1 539393239 RONACUDCXAAKBD-PXAZEXFGSA-N 284.334 3.885 30 20 CHED N#CCN(C(=O)CCCc1ccc2ccccc2c1)C1CC1 540498355 XFVNYYFKWWDQDR-UHFFFAOYSA-N 292.382 3.677 30 20 CHED CS[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C(C)(C)C 542500837 ZRLNSYQBRAEVGU-SWLSCSKDSA-N 276.449 3.987 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@H]2CCCC[C@H]12 543185998 QTCTVPSZUCDVFM-OLMNPRSZSA-N 268.404 3.763 30 20 CHED C=CCCCN(C)C(=O)N[C@H](C)c1c(C)cccc1C 545499206 UETQNURKFJYIKI-OAHLLOKOSA-N 274.408 3.972 30 20 CHED C=CCNC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 550650348 DFLVZPQYXXGXQM-GFCCVEGCSA-N 285.309 3.576 30 20 CHED CC(C)(CCNc1ncc(C#N)cc1Cl)C1CC1 555237262 YQHCZLUSVQPXMQ-UHFFFAOYSA-N 263.772 3.845 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)NCC(C)(C)CCC#N 557999393 DETYEIZAWZNBAC-ZIAGYGMSSA-N 264.413 3.649 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(N2CCCC2)nc1 560923945 DFEJCSHHWWWVMA-INIZCTEOSA-N 287.451 3.906 30 20 CHED CCc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)cc1 561602291 ZTNSVUZRNWZPEL-GOSISDBHSA-N 284.403 3.841 30 20 CHED C=CCC[C@H](CC)Nc1cccc(C(=O)N(C)CC)c1 562058975 LKXVKSIQYVCVGS-HNNXBMFYSA-N 274.408 3.935 30 20 CHED C=CC[C@@H](C(=O)N1CC(C2CCC2)C1)c1ccccc1 563322110 RNBOJDAOHJIYBM-QGZVFWFLSA-N 269.388 3.605 30 20 CHED Cc1cccc(CCCN2CCC(CCC#N)CC2)c1 564916097 IJFXIPBEBIFYCZ-UHFFFAOYSA-N 270.420 3.943 30 20 CHED Cc1ncncc1[C@@H](C)Nc1cccc(OCCCC#N)c1 565213528 BEJLKJSFHYECSJ-CQSZACIVSA-N 296.374 3.641 30 20 CHED CC[C@H](CC#N)NCc1coc(-c2cccc(Cl)c2)n1 566429045 NNQBURQJROWJBN-CYBMUJFWSA-N 289.766 3.777 30 20 CHED CC#CCN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 567784395 GOMYQKXMAFODLK-UHFFFAOYSA-N 294.398 3.532 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)N2[C@@H](C)CC[C@H]2C)n1 572348809 FZZQURGXMOQIAX-XQQFMLRXSA-N 277.412 3.857 30 20 CHED CC[C@@H](CC#N)NCc1ncc(-c2cccc(Cl)c2)o1 572494518 XZWTWZSSXRBXCB-ZDUSSCGKSA-N 289.766 3.777 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H](F)C2)cc1C(F)(F)F 572694392 IIEQJKUTUSXGGQ-VHSXEESVSA-N 272.245 3.880 30 20 CHED CC[C@@H](NCCN1CCCC[C@H]1CC)c1ccc(C#N)cc1 573057113 ODXIZOIMEWQAPF-RTBURBONSA-N 299.462 3.863 30 20 CHED C=C(C)CCN1CCC[C@@H]1Cc1cccc(OC)c1 574386762 JCNUXOCSVYIDIV-MRXNPFEDSA-N 259.393 3.668 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc2cc[nH]c12 577700890 RRUBZZZHSDFRKY-UHFFFAOYSA-N 257.337 3.502 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)C1(c2ccccc2)CCCC1 580555407 QYGDRIIWCPKOQT-IRXDYDNUSA-N 295.430 3.920 30 20 CHED C/C=C(\CC)C(=O)Oc1c(Cl)cc(C#N)cc1OCC 588570871 SLEMNPISHBGISZ-NYYWCZLTSA-N 293.750 3.872 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)c(Cl)c1Cl 590628869 QWWKOINCOGXTLJ-SNVBAGLBSA-N 299.201 3.970 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(OC(CC)CC)cc1 590665269 XSXQICRAPIFFBI-CQSZACIVSA-N 288.391 3.676 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCCC1(F)F 590779469 HAVGKRLQLDNNIL-GOEBONIOSA-N 290.357 3.961 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C2CCC2)C1 591061826 JZIUSMUNHVUBEH-DYVFJYSZSA-N 254.377 3.741 30 20 CHED CC(C)(C#N)c1ccccc1CNC1(C2CCC2)CC1 593078778 ANSJYSGBAWHAMJ-UHFFFAOYSA-N 268.404 3.910 30 20 CHED CC[C@H](CC#N)NCCSc1ccc(Cl)cc1 594010930 XUPOUUSAIMBFNI-GFCCVEGCSA-N 268.813 3.714 30 20 CHED CC(C)(CCC#N)CN1Cc2cc(F)c(F)cc2C1 594613521 PAMDMNVOLIGFMD-UHFFFAOYSA-N 264.319 3.610 30 20 CHED Cc1ccc(Oc2ccc(NCC3(CC#N)CC3)cc2)nn1 594705670 OOUXNWKDXCRCGM-UHFFFAOYSA-N 294.358 3.683 30 20 CHED CC(C)(C#N)CCN[C@@]1(c2ccccc2)CC1(C)C 595910874 TWRYGCBZGNOLHG-QGZVFWFLSA-N 256.393 3.841 30 20 CHED N#CC1(c2ccc(-c3cc(F)ccc3CO)s2)CCC1 596634018 CXZDJTCIBSGUOV-UHFFFAOYSA-N 287.359 3.992 30 20 CHED N#CC1(CC(=O)Nc2ccc(Cl)cn2)CCCCC1 596882258 OBKCPVJBCQUVGF-UHFFFAOYSA-N 277.755 3.538 30 20 CHED N#CC1(CC(=O)N[C@@H]2CC23CCCCC3)CCCCC1 597465749 KSSJNDXIBIUBGD-CQSZACIVSA-N 274.408 3.690 30 20 CHED C[C@@H](C#N)N(C(=O)CCC1CCCCCC1)C1CC1 598136515 HYJREVCEUACPLM-ZDUSSCGKSA-N 262.397 3.640 30 20 CHED COc1ccc(-c2ccc([C@@H]3CCCN3)cc2)cc1C#N 600787889 HCOAVKSORMWGIA-KRWDZBQOSA-N 278.355 3.658 30 20 CHED Cc1ccccc1-n1ccnc1S[C@H](C#N)C1CC1 601072682 PGCILZMZZRTMOP-CQSZACIVSA-N 269.373 3.575 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)Nc1cccc(CC#N)c1 603031287 ABNLITPHPLTWLX-LBPRGKRZSA-N 271.364 3.547 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 603996069 FMRSKGSWYVNGGU-ZYHUDNBSSA-N 288.416 3.873 30 20 CHED C=CCNC(=O)[C@@H](C)N[C@@H](CC1CCCCC1)C(C)(C)C 604414406 PGIBVDOUZGBCRM-ZBFHGGJFSA-N 294.483 3.652 30 20 CHED C=CC[C@H](C)NC(=O)CCC(=O)c1ccc(CCC)cc1 604880551 XXKZQMOCUCEGSE-AWEZNQCLSA-N 287.403 3.683 30 20 CHED C=CCCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 606897001 BNWHKMOOUUQCBO-RKDXNWHRSA-N 275.236 3.625 30 20 CHED CN(Cc1ccoc1)c1c(C#N)cnc2c(F)ccc(F)c12 610275703 NSELLFPYXIZKNF-UHFFFAOYSA-N 299.280 3.614 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H]2C[C@]2(C)c2ccccc2)n1 610280217 HJEFIPOABCZFCO-FUHWJXTLSA-N 277.371 3.712 30 20 CHED C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 610407257 SNRKQQNXLUGKPT-ZQIUZPCESA-N 299.418 3.839 30 20 CHED N#Cc1ccc(-c2ccccc2)nc1S[C@@H]1CCCOC1 610585200 ILJJQZLGTASZHE-OAHLLOKOSA-N 296.395 3.891 30 20 CHED CCC(CC)(CC)C(=O)Nc1ccc(F)c(C#N)c1 610756203 AIOHVKHVGIZJAG-UHFFFAOYSA-N 262.328 3.852 30 20 CHED CC(C)[C@H]1c2ccccc2CCN1CCCSCC#N 610787996 DATCIPRSCWMDRR-KRWDZBQOSA-N 288.460 3.889 30 20 CHED CN(C(=O)c1cc2cccc(F)c2o1)c1ccccc1C#N 611071977 ZZTLVTQCDGQUOR-UHFFFAOYSA-N 294.285 3.720 30 20 CHED Cc1cc(C#N)ccc1CN(C)c1c(F)cccc1F 614402755 DQKMUPOUYNUZFS-UHFFFAOYSA-N 272.298 3.781 30 20 CHED C=CCCC(=O)NCc1cc(Cl)cc(Cl)c1 616987499 USPWVQFXLDHHIZ-UHFFFAOYSA-N 258.148 3.576 30 20 CHED C=CCCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 617618945 CRNPLXNOAREBOL-HZPDHXFCSA-N 257.377 3.653 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)ccc2C)C1 617789801 UGORUIOFPXJJNZ-OAHLLOKOSA-N 257.377 3.732 30 20 CHED CC(C)(C#N)CCCCN1CC(c2nc3ccccc3[nH]2)C1 618287201 YFBKSBSPSZOQDF-UHFFFAOYSA-N 296.418 3.682 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1 619365137 BQTBYHGWWVOAOD-IKGGRYGDSA-N 269.388 3.605 30 20 CHED Cc1ccc2c(C(=O)N[C@H](C#N)CC(C)C)csc2c1 619519639 PLEXNVJJEVONJH-LBPRGKRZSA-N 286.400 3.878 30 20 CHED C[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)c1ccccc1 619762709 RDPQRDHEUIWKKT-GFCCVEGCSA-N 298.773 3.632 30 20 CHED C=CCC1(C(=O)NCC(C)(C)c2ccncc2)CCCC1 649283300 LFTQOSOTIZOWHZ-UHFFFAOYSA-N 286.419 3.612 30 20 CHED C=CCC1(NC[C@@H]2C[C@H]2c2ccccc2)CCOCC1 657635201 ZDHBBLKWMHJJAN-IRXDYDNUSA-N 271.404 3.505 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCc2cscc2C)C1 661075289 NMAKUBKZULKAPL-ZDUSSCGKSA-N 278.421 3.554 30 20 CHED C=CC[C@@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 661380282 MCKZRHZLLVBJFK-OAHLLOKOSA-N 297.402 3.567 30 20 CHED C=CCC[C@@H](CCC)NC[C@@H]1CCCN(CC2CC2)C1 663467662 HBXUVJNEHCCXMN-ZWKOTPCHSA-N 278.484 3.833 30 20 CHED C=CCCNC(=O)Nc1ccc(COC2CCCC2)cc1 666149996 CWLBIXWOJZSMOE-UHFFFAOYSA-N 288.391 3.843 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C3CC3)n2CC(=C)C)C1 669302835 RZIKDCCQXDSWEV-AWEZNQCLSA-N 286.423 3.524 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@](C)(c2ccccc2)CC1 672464105 MNPXDLJXODHIPC-QAPCUYQASA-N 286.419 3.714 30 20 CHED C=C(CNC(=O)c1cccc(Cl)c1)c1ccccc1 672482476 NDEYYTKQKAJPAJ-UHFFFAOYSA-N 271.747 3.783 30 20 CHED C#Cc1cccc(NC(=S)N2CCCc3ccccc32)c1 726434432 PLGJGPVHNKFTMZ-UHFFFAOYSA-N 292.407 3.818 30 20 CHED C=CCCC(=O)N1CC=C(c2ccc(C)cc2)CC1 726500139 SEZZGBAFZVEBBD-UHFFFAOYSA-N 255.361 3.577 30 20 CHED C=CCCC(=O)OCC(=O)c1ccc(Cl)cc1Cl 726650483 HBWBOAYCFIXKQY-UHFFFAOYSA-N 287.142 3.686 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc3c(c2)CCC3)c1 728481130 KFOPJZRYMQMCOZ-UHFFFAOYSA-N 289.378 3.823 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)Oc2ccc(Cl)cc21 729151058 NQCITTGEFOGFFR-LZYBPNLTSA-N 298.725 3.891 30 20 CHED COc1cccc(/C=C2\Cc3c(C)cccc3C2=O)c1OC 729151729 WTRUGVWVFJAVIW-GXDHUFHOSA-N 294.350 3.835 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C/CCC)c1 729366513 AJARLPKOLHELIC-UXBLZVDNSA-N 259.349 3.936 30 20 CHED CC(=NNc1ccc(C)nn1)c1cccc(C(F)(F)F)c1 729935868 UIUYJHHJSSZEKQ-UHFFFAOYSA-N 294.280 3.640 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2F)c(C#N)c2n1CCC2 730085625 RCWXQZCCVYUVSU-CMDGGOBGSA-N 294.329 3.650 30 20 CHED Cc1ccc(C=NNc2cc(F)c(F)cc2F)s1 734302675 JNDHFTYMJCOCHA-UHFFFAOYSA-N 270.279 3.920 30 20 CHED N#Cc1ccc(COC(=O)/C=C/C2CCCCC2)cc1 735562812 OBMSFLLYSNPTBU-ZHACJKMWSA-N 269.344 3.738 30 20 CHED COc1cccc(C(C)=NNc2c(F)cccc2F)c1 735614737 AEXWYENVHCFHSO-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(OCC(C)C)c1 736966302 BJHXMTLCUGTRAY-UHFFFAOYSA-N 282.771 3.595 30 20 CHED COc1ccc(CCNN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 737440512 KYRNGQHQQBRAFK-DDBAPUKQSA-N 298.430 3.639 30 20 CHED CCCCCCCCC(=O)N1CCN(C)C[C@@H]1C(C)C 737742659 HPWWIFWOAAXUSN-MRXNPFEDSA-N 282.472 3.536 30 20 CHED C#Cc1cccc(NC(=S)NCc2c(C)cccc2F)c1 743002900 JAHOAHMFFWHBMY-UHFFFAOYSA-N 298.386 3.602 30 20 CHED C=C(Br)CN1C[C@@H](CC)Oc2ccccc21 743853129 SYEMANLVLUCFCX-LLVKDONJSA-N 282.181 3.573 30 20 CHED C=CCOC(=O)/C=C(/CC)c1cccc(Cl)c1 745752440 FCTUIWZXYBOIHE-KHPPLWFESA-N 250.725 3.863 30 20 CHED CC(=NNC(=S)NCCC(C)C)[C@@H](C)c1ccccc1 746368775 NEWTVDKKENOVFW-CYBMUJFWSA-N 291.464 3.676 30 20 CHED C=CCc1cc(OCC)cc(CN(C)CCC2CC2)c1O 746637042 JBYPEKHMAFVBRX-UHFFFAOYSA-N 289.419 3.751 30 20 CHED CC(C)CN(C/C=C/Cl)Cc1ccc(C#N)cc1 746660489 WSMYASIOUPGBIB-FPYGCLRLSA-N 262.784 3.769 30 20 CHED O=C1/C(=C/C=C/c2ccc(F)cc2)Cc2c(O)cccc21 747697341 XYBWVGBDSJQMDI-BYUWVCTOSA-N 280.298 3.910 30 20 CHED C=CCCC(=NNc1nncc2ccccc12)C1CC1 747744519 OQJWWIVAECYRBF-UHFFFAOYSA-N 266.348 3.774 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1F 748997208 AXUIIXLPZCMYFJ-GORDUTHDSA-N 291.709 3.779 30 20 CHED CC1(O)CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 749281172 DALMRDGXIBNCSK-UHFFFAOYSA-N 298.308 3.683 30 20 CHED C=CCn1c(SCCc2cccs2)nnc1C1CC1 749453939 ZIRLEGNCOCWBRW-UHFFFAOYSA-N 291.445 3.738 30 20 CHED CC(C)CON=Cc1cc(Cl)cc2cccnc12 749636960 VEJFBRFBTHUZGU-UHFFFAOYSA-N 262.740 3.895 30 20 CHED CCC/C=C/C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 752716100 GFJBOSKIDDBZBI-QPJJXVBHSA-N 295.304 3.529 30 20 CHED CCCCCCCC(=O)NCC1(c2ccccn2)CC1 753760366 CNUXPFRMPUADGE-UHFFFAOYSA-N 274.408 3.590 30 20 CHED C#CCOCCN[C@@H](CCC)c1cccc(C(F)(F)F)c1 753762479 RYFQQHUICPFEAZ-HNNXBMFYSA-N 299.336 3.786 30 20 CHED CCCCCCCN[C@@H](CCO)c1cccs1 754387825 YMDGZCLVTHAJDE-ZDUSSCGKSA-N 255.427 3.732 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 754390714 ZPBHFUGWSLXOJD-RAIGVLPGSA-N 296.197 3.625 30 20 CHED CCCCCCCCCCNC(=O)Nc1cnn(C)c1 755770787 XBRLKQDUAFCLBX-UHFFFAOYSA-N 280.416 3.682 30 20 CHED CC1(C)CCC[C@@H](C(=O)OCC(=O)c2cccc(C#N)c2)C1 756267186 WHFOFEWOCSVWGI-OAHLLOKOSA-N 299.370 3.501 30 20 CHED C#CC[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 756995835 BAJXCDREUSDALY-DKIMLUQUSA-N 251.373 3.553 30 20 CHED C=C[C@H](CC(=O)OCc1cscn1)c1ccccc1 758906201 BOFNNXYJCUTXEY-GFCCVEGCSA-N 273.357 3.546 30 20 CHED CCc1ccc(C=NNc2cccc3cnccc23)o1 760247806 FZHSNBIGJCTWQI-UHFFFAOYSA-N 265.316 3.836 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc(N2CCCC2)cc1 764903467 UGHUXRNSDMNNOL-HOTGVXAUSA-N 272.436 3.977 30 20 CHED Cc1ccc(C=NNc2ccc(Br)cc2)cn1 764906011 WBSPOPADTDFHRZ-UHFFFAOYSA-N 290.164 3.599 30 20 CHED CC(C)[C@@H](C#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 765468176 LNRKCLXVEWHUQB-YSSOQSIOSA-N 276.424 3.813 30 20 CHED CC(CSc1ccccc1[N+](=O)[O-])=NOCC(C)C 765584260 MEPZPLYUPOQPQU-UHFFFAOYSA-N 282.365 3.735 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccc(F)c1 767362860 OPDJJFPMEXANLM-UHFFFAOYSA-N 267.307 3.620 30 20 CHED CCC(CC)NN=C(C)c1ccc(O)c(Cl)c1 768778158 XJYXDIKFLQADGV-UHFFFAOYSA-N 254.761 3.548 30 20 CHED CCN(CC#N)Cc1ccccc1-c1ccccc1 769001165 YOJNRHLTBZXGAD-UHFFFAOYSA-N 250.345 3.699 30 20 CHED CCc1ccccc1NN=C(C)c1c(CC)noc1C 769796443 HCWANBSMAXZJQV-UHFFFAOYSA-N 271.364 3.944 30 20 CHED Fc1cccc(Cl)c1NN=Cc1ccc(Cl)nc1 769829549 RMTDUYLFCONYBZ-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C[C@H]1CCN(c2snc(Cl)c2C#N)CC12CCC2 771268218 YLTIEJBMJRBVDI-VIFPVBQESA-N 281.812 3.685 30 20 CHED C=CC[C@H](NC(=O)c1ccc(F)cc1C)c1ccncc1 771350209 PIARUEWQKCLEIC-INIZCTEOSA-N 284.334 3.576 30 20 CHED C=C(CC)COc1cc(C=O)c(Br)cc1OC 773185480 URLQWXYPVAKFFA-UHFFFAOYSA-N 299.164 3.615 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(Cl)nc1 773427378 GPGVCISYCBLTQP-LBPRGKRZSA-N 252.789 3.960 30 20 CHED C=C(CC)COC(=O)CCCCOc1cccc(C#N)c1 773517119 AZBLFZRYBYPUOD-UHFFFAOYSA-N 287.359 3.617 30 20 CHED CC(C)n1cc2c(n1)[C@H](N[C@@H]1CCC[C@H](C#N)C1)CCC2 774348027 IOKRBNBSULYKIR-NUEKZKHPSA-N 286.423 3.513 30 20 CHED C=CCOc1ccc(COC(=O)C2(F)CCCC2)cc1 774479040 KDVSKFCRGFSWHM-UHFFFAOYSA-N 278.323 3.577 30 20 CHED CCOc1ccc(/C=N\Cc2cscc2C)c(O)c1 775236558 XOIRVIMZOGIMFY-APSNUPSMSA-N 275.373 3.780 30 20 CHED C#CCOc1ccccc1NC(=O)N[C@H](C)CCCC=C 776088707 CYEOTYZYUVGUIE-CQSZACIVSA-N 286.375 3.565 30 20 CHED Cc1nc(C)c(C#N)c(SCc2ccc(CF)cc2)n1 777536107 YHZJYLDQEZDLSK-UHFFFAOYSA-N 287.363 3.727 30 20 CHED C=CCN(C)Cn1nc(-c2ccc(Cl)cc2)oc1=S 777548660 XYKWECLCQJJEGR-UHFFFAOYSA-N 295.795 3.601 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2OCC#N)[C@@H]1C 779273486 HKKKUKSYXRPCRE-UMVBOHGHSA-N 287.359 3.570 30 20 CHED CC(C[C@H](C)CC(C)C)=NN[C@@H]1CCOC(C)(C)C1 780251759 DFCDPQGQMNDXTP-UKRRQHHQSA-N 268.445 3.982 30 20 CHED COc1cc(C)ccc1C(=O)O[C@H](C#N)C1CCCCC1 781344353 UKPPPQYQSNUYBM-MRXNPFEDSA-N 287.359 3.633 30 20 CHED C=C[C@H](C)OC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F 781569108 VNDIHQJTJUZVFF-JTQLQIEISA-N 293.338 3.542 30 20 CHED CCC(CC)NN=C(C)c1ccc([N+](=O)[O-])cc1Cl 782225887 HGPUIYCUSPPDKF-UHFFFAOYSA-N 283.759 3.750 30 20 CHED CCCCCCCCCCN1CCC2(CC1)COC(=O)N2 784454014 LSGNGVPTOZMUBE-UHFFFAOYSA-N 296.455 3.702 30 20 CHED C#CCCCCCC(=O)OCCSc1ccccc1 784616158 JAVMBBGSNKBKIT-UHFFFAOYSA-N 276.401 3.906 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1csc(Cl)c1 787153284 LNAMDSUDVWZQKH-UHFFFAOYSA-N 280.784 3.644 30 20 CHED C#CCC1(C(=O)OCc2cccc(OC)c2)CCCCC1 788216173 MNKAQQNBLNSBMF-UHFFFAOYSA-N 286.371 3.712 30 20 CHED N#Cc1cc(C(=O)OCc2cccc(Cl)c2)ccc1F 792307677 SUASPXJPDRBJHQ-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1c(Cl)nc2sccn12 793110929 CUVHGCYMSWPAHN-SECBINFHSA-N 298.843 3.797 30 20 CHED CC(C[C@H](C)NC(=O)OC(C)(C)C)=NN[C@@H](C)C(C)(C)C 793114314 FTJQWBATQLASDA-AAEUAGOBSA-N 299.459 3.690 30 20 CHED COc1ccc(C=NN[C@@H](C)C(C)(C)C)cc1Cl 793115032 KGBJLQQPOZZKLJ-JTQLQIEISA-N 268.788 3.707 30 20 CHED CCOCCON=C(C)[C@H](C)c1ccc(Cl)cc1 794535915 LYSBCBMBZUCMLY-NSHDSACASA-N 269.772 3.873 30 20 CHED O=C(/C=C\c1ccc(C(F)F)cc1)c1ccc(O)cc1O 794941690 VFYRNNSIUVCJQP-BAQGIRSFSA-N 290.265 3.932 30 20 CHED CC[C@H](C)CCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 796739711 SWSRJTDSPAAJOE-RYUDHWBXSA-N 269.348 3.565 30 20 CHED CO[C@@H]1CCCCC1=NNc1ncnc(Cl)c1C(C)C 797404680 SCBILPSOHRXBCC-LLVKDONJSA-N 296.802 3.610 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc2c(c1)COC2 798370538 PZCUXOCXHGZMHM-SREVYHEPSA-N 296.370 3.699 30 20 CHED C=CC[C@@H](CC)NS(=O)(=O)/C=C/c1cccc(Cl)c1 798467703 IJOMEAFJIZCXIT-ATWMFIQVSA-N 299.823 3.585 30 20 CHED CC(C)C[C@H](C)C=NNc1oc(C(C)C)nc1C#N 799109977 MCIKJHKKGOQRPB-NSHDSACASA-N 262.357 3.750 30 20 CHED CCc1cccc(C)c1NN=Cc1ccnn1C(C)C 799493586 ICHNJHHOKYHMRM-UHFFFAOYSA-N 270.380 3.781 30 20 CHED COc1cc(/C=C\C(=O)c2ccccc2F)ccc1C#N 799494986 IWKMVPQSVTZURR-CLFYSBASSA-N 281.286 3.602 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccc(C)cc1C 804836926 ZNOHVYLXEPRJHZ-UHFFFAOYSA-N 277.367 3.579 30 20 CHED C=CCCCCCCNC(=O)c1c(C)noc1C(F)F 805220054 FKWQIVHHBSWDJI-UHFFFAOYSA-N 286.322 3.787 30 20 CHED C=C(Cl)CN[C@H](COC)c1cccc(Cl)c1F 806145839 HCWAXGQQNGWZAE-LLVKDONJSA-N 278.154 3.509 30 20 CHED CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(C#N)cc2)cn1 806565304 MRWUNKAVPKPJMP-TWGQIWQCSA-N 291.354 3.542 30 20 CHED C#CCCCCNC(=O)Nc1ccc(CC)c(Cl)c1 806679965 OWLYWICMPFUJHW-UHFFFAOYSA-N 278.783 3.827 30 20 CHED C=CCCCCCCNC(=O)N1CC(C2CCCC2)C1 807571701 NIYAENPISMDVFF-UHFFFAOYSA-N 278.440 3.955 30 20 CHED O=C(/C=C\c1cnccn1)c1ccc(Cl)cc1Cl 809152438 QZMOJGSBXQVNPW-RQOWECAXSA-N 279.126 3.680 30 20 CHED C#Cc1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1 809608322 MNFWRHZVTRQVBR-GOSISDBHSA-N 295.357 3.811 30 20 CHED C#Cc1ccc(CNC[C@@H](OCC)c2ccccc2)cc1 809655219 FCENZRWFPQKZOA-LJQANCHMSA-N 279.383 3.535 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@H](c2ncccc2C)C1)C(C)C 809685920 ZOUDZINLAYXVRS-BBWFWOEESA-N 270.420 3.664 30 20 CHED CN(CCC#N)c1ccc(CN2CCC3(CCC3)CC2)cc1 809707394 WCWMPILCUCZCSK-UHFFFAOYSA-N 297.446 3.803 30 20 CHED CC(=NNc1cccc(F)n1)c1nccc2ccccc12 811650231 QDSSSEYIGRMGKQ-UHFFFAOYSA-N 280.306 3.605 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)C1CCCCC1 811689155 WQFTUGTXZDYYRP-MDZDMXLPSA-N 257.308 3.860 30 20 CHED CC(=NOCCOC(C)C)c1cc(C)c(F)c(C)c1 812239443 UMAARHZKCUYIPS-UHFFFAOYSA-N 267.344 3.608 30 20 CHED C=CC[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C 812724424 CUGYASQMVRDSAE-ILXRZTDVSA-N 296.455 3.576 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cnn(CC(F)F)c2)c1 814187266 DYJZXTSTZMBUFD-WAYWQWQTSA-N 290.313 3.661 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)[C@H]1CCCOC1 814778837 AMKCRVZMWXYSHD-CQSZACIVSA-N 290.366 3.917 30 20 CHED CCCCCCCSc1nc(C(=O)OC)cs1 814790958 WKJQLHKJDZQQTH-UHFFFAOYSA-N 273.423 3.992 30 20 CHED CCN(CC)c1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1 815011240 FZBUPZVQXVTAJP-AEFFLSMTSA-N 285.435 3.657 30 20 CHED C=CCC(F)(F)C(=O)Nc1c(C)noc1-c1ccccc1 816088967 BQDANUQSPGMBNV-UHFFFAOYSA-N 292.285 3.800 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 816557857 DOJDOJZLHPMQHE-AULYBMBSSA-N 299.748 3.914 30 20 CHED C=CC[C@H](Cc1ccccc1)NC[C@H](O)c1cccc(F)c1 819369262 XFQFWJMIMDFRSZ-MOPGFXCFSA-N 299.389 3.636 30 20 CHED CC(C)C[C@H](C)OC(=O)N(CCC#N)CC(C)(C)C 820790639 QBALLMVQTVCUEB-ZDUSSCGKSA-N 268.401 3.819 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccncc1 825859040 OVVVONDLONLVCL-DIECFANBSA-N 286.419 3.887 30 20 CHED CC[C@H](C)CC=NNc1ccnc(Br)c1 834970006 RKJBGUACOWVNGS-VIFPVBQESA-N 270.174 3.678 30 20 CHED CC(=NNc1c(F)cccc1Cl)[C@@H]1C[C@H]2CC[C@H]1O2 834970149 STVSQXCMKQWKDH-GBIKHYSHSA-N 282.746 3.834 30 20 CHED N#Cc1ccc(CC(=O)OCCC2=CCCCC2)cc1 835722472 JAITXQPZNZBOTA-UHFFFAOYSA-N 269.344 3.534 30 20 CHED CCCCCC(C)(C)C(=O)NCc1ccc(C#N)c(F)c1 837109253 QQPZPTOKIAEPDO-UHFFFAOYSA-N 290.382 3.920 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCCc2ccccc2)C1 839047456 XEQRRRJWUZGIJL-JKSUJKDBSA-N 271.360 3.635 30 20 CHED CC(C)[C@H](F)C(=O)Nc1cc2ccccc2cc1C#N 839435478 NEOZWISHQLQNBY-HNNXBMFYSA-N 270.307 3.644 30 20 CHED C#CCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 840311886 QARGTXBEBMVAQR-QZTJIDSGSA-N 298.430 3.768 30 20 CHED CC[C@H](NC(=S)NCC(C)(C)CC#N)c1cccs1 840845415 OVDCIVJOMHQYTD-NSHDSACASA-N 295.477 3.603 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1nc(Cl)c(C#N)s1 841223744 NUGOQJIJQZOHKQ-IUCAKERBSA-N 297.811 3.823 30 20 CHED CCCCCCO[C@H](C)C(=O)OCC1(C#N)CCCC1 842328796 FJDIGDJMIOOCPQ-CQSZACIVSA-N 281.396 3.599 30 20 CHED CC1=C(C)C[C@H](C(=O)[C@H](C#N)c2nc(C)cs2)CC1 842677991 PUMHYKISFWAROE-OLZOCXBDSA-N 274.389 3.764 30 20 CHED C#CC1CCN(C(=O)[C@H](C)c2ccc3ccccc3c2)CC1 843706702 ZITWXIBWFYIRNA-OAHLLOKOSA-N 291.394 3.815 30 20 CHED C=C[C@@H](C)ONC(=O)N(C)[C@H](c1ccccc1)C(C)C 845634331 SWOUFKYJELWYPS-HIFRSBDPSA-N 276.380 3.531 30 20 CHED C=C[C@@H](C)ONC(=O)N(Cc1cccc(Cl)c1)C(C)C 845643540 ZLHKIVMTXRNXOL-GFCCVEGCSA-N 296.798 3.766 30 20 CHED C=C(Cl)CN[C@H](CC)c1cc(OC)c(OC)c(OC)c1 846152952 DBOTVIRKXALUQN-GFCCVEGCSA-N 299.798 3.506 30 20 CHED CC(C)(C#N)CCOC(=O)CCCc1c(F)cccc1F 847902229 LSFDCZIHRZETFQ-UHFFFAOYSA-N 295.329 3.771 30 20 CHED CCCC/N=C(/NCc1ccc(C)cc1)NCc1ccco1 849053173 IQGFMFQXCCYTPE-UHFFFAOYSA-N 299.418 3.624 30 20 CHED O=C(/C=C/c1ccnn1CC1CC1)c1ccccc1Cl 849240900 XVAYBAMTCXYXNU-BQYQJAHWSA-N 286.762 3.843 30 20 CHED C=CCC[C@@H](C)NC[C@H](O)c1cccc2ccccc12 850517426 TYGSXPLLEQTFPP-KDOFPFPSSA-N 269.388 3.818 30 20 CHED COc1ccc(Cl)cc1C(=O)O[C@@H](C)CC(C)(C)C#N 851212142 HGEAULIQVNGZOI-JTQLQIEISA-N 295.766 3.834 30 20 CHED COc1cc(C)c(C(C)=NOCC2CCC2)cc1OC 853440062 YFXQCCTWYPEONP-UHFFFAOYSA-N 277.364 3.553 30 20 CHED CCCc1nc(C)c(CON=Cc2cccc(F)c2)o1 853644176 FUAFBKXLDUWWQT-UHFFFAOYSA-N 276.311 3.625 30 20 CHED C/C(=C/C(=O)N(C1CC1)C1(C#N)CCC1)c1cccs1 857610996 GCLILJKHOFNXCY-BENRWUELSA-N 286.400 3.589 30 20 CHED C#CCCOC(=O)N1CC2(CCCC2)c2cccc(F)c21 859135960 YZYXGFHDDBWRLM-UHFFFAOYSA-N 287.334 3.617 30 20 CHED Cc1cccc(Cl)c1NN=Cc1cnc(C2CC2)o1 863117735 BZQSFRUTXYQWPT-UHFFFAOYSA-N 275.739 3.960 30 20 CHED Cc1cccc(NN=C2CCC[C@H]2C(C)(C)C#N)n1 863160007 NLSZPZOFBGABIA-GFCCVEGCSA-N 256.353 3.508 30 20 CHED C[C@H](CCC#N)CNc1ccc(OC(F)(F)F)c(C#N)c1 877499086 LGEBURRBBILPDB-SNVBAGLBSA-N 297.280 3.809 30 20 CHED C=C1CCC(C(=O)NCCc2cc3ccccc3[nH]2)CC1 889637627 BAZHDXSYDZMILS-UHFFFAOYSA-N 282.387 3.573 30 20 CHED C=C1CCC(C(=O)N(CC)[C@H]2CCOC(C)(C)C2)CC1 890993211 DVAPHRJKPLBUOV-HNNXBMFYSA-N 279.424 3.539 30 20 CHED Cc1cc(C#N)nc(N[C@H]2CCO[C@@H](c3ccccc3)C2)c1 893197934 FFYOKIULHASHIZ-DOTOQJQBSA-N 293.370 3.594 30 20 CHED C=CCN(Cc1ccc(-c2ccccc2C(=O)O)o1)C1CC1 902528189 OEVPHCZXJFUYDB-UHFFFAOYSA-N 297.354 3.795 30 20 CHED C=CCCC[C@@H](N)c1nc([C@H](C)c2cccs2)no1 904617312 TZUYNUPLYYXTHL-GHMZBOCLSA-N 277.393 3.639 30 20 CHED CCCC/N=C(/NCc1ccc(F)c(F)c1)NC(C)(C)C 912497423 TYQKPABAXWBVHT-UHFFFAOYSA-N 297.393 3.599 30 20 CHED CCCCCCCCCN(C)C(=O)c1cccnc1O 918398095 UXSQOLHGZNDXNU-UHFFFAOYSA-N 278.396 3.610 30 20 CHED CC(C)Oc1ccc(COC(=O)c2cccc(C#N)c2)cc1 918534200 XWGGBLDPWPLOLD-UHFFFAOYSA-N 295.338 3.702 30 20 CHED C#Cc1ccc(NC(=O)N(CC)CC(C)(C)C)cc1 934924879 CTKKGSUPCCKMSI-UHFFFAOYSA-N 258.365 3.568 30 20 CHED CC(C)(CNc1ccc(OCC#N)cc1)c1ccccc1 1116471868 JMVABYUKJCQVEL-UHFFFAOYSA-N 280.371 3.979 30 20 CHED CC(C)[C@H]1CCCN(c2nc3ccccc3cc2C#N)C1 1116686024 GRKXDXKQUIANNO-HNNXBMFYSA-N 279.387 3.979 30 20 CHED N#Cc1ccnc(/C=C/c2c[nH]nc2-c2ccccc2F)c1 1116907435 MTMFFWYPWWQUTD-AATRIKPKSA-N 290.301 3.653 30 20 CHED N#Cc1ccnc(CSc2ncc(-c3ccccc3)o2)c1 1188669572 NKGVUOZGAMROCO-UHFFFAOYSA-N 293.351 3.901 30 20 CHED C#Cc1cccc(NC(=S)N2CC[C@H]3CCCC[C@@H]3C2)c1 1251489926 ZSLNEWMDZBCADX-HZPDHXFCSA-N 298.455 3.877 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1c1cccc(CC#N)n1 1261262017 JMDYKCKIBPGUSZ-QGZVFWFLSA-N 295.361 3.937 30 20 CHED C#CCCOC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 1261793447 JNZYDBJVPAQNED-NSHDSACASA-N 299.292 3.858 30 20 CHED CCCC[C@@H](C(=O)[C@@H](C#N)c1cc(C)nc(C)n1)C(C)C 1263296939 XBDOWZJRAXTPIR-CABCVRRESA-N 287.407 3.732 30 20 CHED CC[C@H](C(=O)O[C@@H](CC#N)c1ccco1)c1ccccc1 1263660313 BRXOCNMPQAATJU-HOCLYGCPSA-N 283.327 3.971 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2ccc(Cl)c(C#N)c2)C1 1264203995 OYGRBTMVQSXJHM-ZWNOBZJWSA-N 277.751 3.947 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1c1ncc(C#N)cc1F 1307133817 YBHCFBGBDYKGJU-DGCLKSJQSA-N 275.371 3.743 30 20 CHED C#CCN(CC1CC1)C(=O)c1coc2cc(C)c(C)cc12 1320479491 WWNFVMURAMBCDD-UHFFFAOYSA-N 281.355 3.535 30 20 CHED C[C@@H]1CCCC[C@@H]1OCc1nnc(-c2cccc(C#N)c2)o1 1322997868 XZGYNERFTWBTGN-DOMZBBRYSA-N 297.358 3.704 30 20 CHED Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(C#N)c1C)CC2 1332523650 UYQLYGCZXSGLGK-GOSISDBHSA-N 290.366 3.592 30 20 CHED N#Cc1cccc(N(C(=O)CCc2ccco2)C2CCC2)c1 1334260965 WLSXNRMULJTEQD-UHFFFAOYSA-N 294.354 3.670 30 20 CHED Clc1ccc(C#CCN2CC3CCC2CC3)cc1 1334885439 OOWCUVDSSWGMKJ-UHFFFAOYSA-N 259.780 3.566 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Cl)c(Cl)n1 1340667320 HESJLGCXXBLWBZ-UHFFFAOYSA-N 259.136 3.683 30 20 CHED CN(CCC(F)(F)F)c1nc(C(C)(C)C)ccc1C#N 1342674150 IQZRMBDKZINZPX-UHFFFAOYSA-N 285.313 3.639 30 20 CHED Cc1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)cc1C(F)(F)F 1344696468 AOLIJPAYSHDIJF-JQWIXIFHSA-N 297.276 3.863 30 20 CHED C=C(CC(C)C)C(=O)Nc1cccc(-c2nnc(C)o2)c1 1346145996 JNNXIXDYSGXKLJ-UHFFFAOYSA-N 285.347 3.586 30 20 CHED N#CCOc1cccc(CN[C@@H]2CCCC23CCCC3)c1 1347666173 JNUDZNOONVXODK-QGZVFWFLSA-N 284.403 3.791 30 20 CHED N#CC1(CCCCN[C@@H](CCO)C2CCCCC2)CCC1 1354485109 PZLGBTLZOORWLM-KRWDZBQOSA-N 292.467 3.771 30 20 CHED CC[C@@H](CN(CC)c1cccc(C#N)n1)c1ccccc1 1472764036 WITVZMCMYSKMDH-HNNXBMFYSA-N 279.387 3.973 30 20 CHED CC[C@@H]1CCCC[C@H]1CNc1nc(C)ccc1C#N 1472792677 AEFINOFBJXSFLG-HIFRSBDPSA-N 257.381 3.890 30 20 CHED CO[C@H]1CCC[C@H](Sc2ccc(C#N)c(C)c2)C1 1473049071 MQALVIUOZSTUKY-KBPBESRZSA-N 261.390 3.916 30 20 CHED CCC[C@H](CC)C(=O)O[C@@H](C)c1ccc(C#N)cc1 1524303461 YITRBWPNSJRCEQ-JSGCOSHPSA-N 259.349 3.989 30 20 CHED N#CC1(CC(=O)OCCCC(F)(F)F)CCCCC1 1524757492 YTAQTZGIMNYHID-UHFFFAOYSA-N 277.286 3.736 30 20 CHED C=C(CC)C(=O)Nc1cnn(C(CC)CC)c1CC 1528277252 JFRQCKMWNYURNZ-UHFFFAOYSA-N 263.385 3.711 30 20 CHED CS[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1 1529991755 LCSVMLGIFBAKBO-HNNXBMFYSA-N 282.368 3.601 30 20 CHED CC(C)c1ccc(C2(C(=O)N(C)[C@H](C)CC#N)CCC2)cc1 1537948890 VHKRTMWVNHLFPO-OAHLLOKOSA-N 298.430 3.992 30 20 CHED Cc1ccc(C[C@H](C)N(C)C(=O)c2csc(C#N)c2)cc1 1538616347 NPHGANXYOGHDNQ-ZDUSSCGKSA-N 298.411 3.631 30 20 CHED CCc1nc(C#N)cc(NC[C@@H]2CCCC[C@H]2CC)n1 1559200997 FVQYSCGSJLPCGI-OLZOCXBDSA-N 272.396 3.539 30 20 CHED CCCC[C@H](CC)CNC(=O)c1cccc(F)c1C#N 1625221028 QENIEMNCDMYYPW-LBPRGKRZSA-N 276.355 3.644 30 20 CHED C[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C1CCC1 1639742339 SUYODKAYQIGJPD-LBPRGKRZSA-N 294.358 3.741 30 20 CHED C[C@H]1CCC[C@H](Cn2c(C(F)(F)F)ccc(C#N)c2=O)C1 1641371669 MDFRIRHZBQNYTL-QWRGUYRKSA-N 298.308 3.565 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1Nc1ncc(C#N)cc1Br 1642770985 KQMLMYYMIPCBEV-WCQYABFASA-N 294.196 3.562 30 20 CHED CO[C@@]1(C)C[C@@H](N(C)CCC2(C#N)CCCCC2)C1(C)C 1644690615 HPYBRORSQPSCCB-WBVHZDCISA-N 292.467 3.986 30 20 CHED CC[C@@H]1CCN(c2nc(C)c(C#N)cc2Cl)[C@@H]1C 1655393053 VMALMEXRYWEMTP-GHMZBOCLSA-N 263.772 3.540 30 20 CHED Cc1cc(CN2CCc3cccc(F)c32)ccc1C#N 1659715583 PGZDUGNHTMVUBW-UHFFFAOYSA-N 266.319 3.569 30 20 CHED O=C(O)c1ccc(NN=C2C[C@@H]3CC=CC[C@@H]3C2)cc1F 1776076982 PGWLCAXOIHRSRC-PHIMTYICSA-N 288.322 3.668 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@H](C)c2ccc(F)cc2)C1 1776153535 IMHHMJYZPUIOJA-CXAGYDPISA-N 291.366 3.630 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)o2)s1 1777433768 IQOQKMOBWUDJMR-PLNGDYQASA-N 276.313 3.552 30 20 CHED C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 6285240 QQSXANOEUSRQJE-NSHDSACASA-N 299.761 3.651 30 20 CHED CC[C@@H](Nc1ncc([N+](=O)[O-])cc1C#N)C1CCCCC1 52341125 HQQZGPAUUPUYPQ-CQSZACIVSA-N 288.351 3.632 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(NC(C)=O)c1 101544229 JHKYIWBTMYAPSE-UHFFFAOYSA-N 294.398 3.833 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cc(C)ccc2F)c1C 116609323 RSQAOMFHHJVVTM-VQHVLOKHSA-N 286.350 3.863 30 20 CHED C#CCCCNC(=O)c1cncc(-c2ccc(Cl)cc2)c1 176580558 AOHXHRLTZMMYMP-UHFFFAOYSA-N 298.773 3.545 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)C2 108145347 FBJMJZOYGAHHDH-ZSOIEALJSA-N 279.295 3.726 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)cn1)[C@@H](C)CCC 107463026 NXUXIAOFQGVSRX-AWEZNQCLSA-N 287.407 3.774 30 20 CHED C=CC1CCN(C(=O)c2cc3ccccc3s2)CC1 110361940 CYZBTVHHCAMASO-UHFFFAOYSA-N 271.385 3.940 30 20 CHED C=CCSCCCC(=O)Nc1c(C)cccc1C 114756416 ROFPTBXUQRVFFZ-UHFFFAOYSA-N 263.406 3.941 30 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CC(C)OCc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 29476174 BZCJFSAOQQLDCH-UHFFFAOYSA-N 294.354 3.736 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 177963699 PSKKKRUQBLQLMF-QGZVFWFLSA-N 284.403 3.563 30 20 CHED CCS[C@H]1CCCCN(c2cccc(F)c2C#N)C1 301278275 ZLAMGBNVMWCLLD-LBPRGKRZSA-N 278.396 3.809 30 20 CHED C/C(=C\C(=O)N(C)C1(C#N)CCC1)c1ccccc1Cl 171394407 KQWYZVSZYCPSGB-ZRDIBKRKSA-N 288.778 3.648 30 20 CHED Cc1cc(C(F)(F)F)c(C#N)c(SCC2CC2)n1 129063004 ISCOFBLSCKATDZ-UHFFFAOYSA-N 272.295 3.783 30 20 CHED CC[C@H](C#N)N[C@H](Cc1ccccc1)c1ccccc1 122198544 DAZQYCWLUOZCEW-QZTJIDSGSA-N 264.372 3.862 30 20 CHED CC[C@@H](C)[C@@H](O)CNc1c(C#N)cnc2c(C)cc(C)cc12 301384556 BTEVMSRYTYHNCJ-WBMJQRKESA-N 297.402 3.542 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1Nc1snc(Cl)c1C#N 302367937 CDWGEDFSLQWFQB-WDEREUQCSA-N 299.827 3.674 30 20 CHED N#Cc1c(F)cccc1Nc1cccc(Cn2cccn2)c1 301152230 PJXTVESTZFNCCS-UHFFFAOYSA-N 292.317 3.686 30 20 CHED COc1ccsc1C(=O)/C=C/c1cc(F)ccc1F 184768340 PETCPXCLRGTJPC-GORDUTHDSA-N 280.295 3.931 30 20 CHED C=C(C)CN(C)C(=O)COc1ccccc1-c1ccccc1 180468038 XWFGRHZGBQGVJD-UHFFFAOYSA-N 295.382 3.767 30 20 CHED Cc1cccc(COc2ccc([C@@H](C)NCC#N)cc2)c1 182066662 VSKPGSMUDCAYSH-OAHLLOKOSA-N 280.371 3.748 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)c2cccc(F)c2)CC1 187977901 INHHFZTWGWPZCF-SFHVURJKSA-N 290.426 3.907 30 20 CHED C[C@H](C#N)Oc1ccccc1NC[C@H]1CC=CCC1 181127685 RYDWFKACGAKWGE-KGLIPLIRSA-N 256.349 3.746 30 20 CHED C[C@@H](NCc1cc(C#N)ccc1F)c1cccs1 35149994 IJCLENWBEGURLU-SNVBAGLBSA-N 260.337 3.610 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 185730525 AIOHBUZVLKRPSN-HKUYNNGSSA-N 296.414 3.731 30 20 CHED CC[C@H](C)C[S@](=O)CCC1(C#N)CCCCC1 414243007 JCVKNZMRQVGRQU-SUMWQHHRSA-N 255.427 3.645 30 20 CHED COC[C@H](NCC(C)(C)CC#N)c1cccc(Cl)c1F 414163979 JOYQMDGGICSMRC-ZDUSSCGKSA-N 298.789 3.696 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](C)C1CCN(C(=O)OC)CC1 186765982 JBCVDGGZIBXIQD-GOEBONIOSA-N 296.455 3.578 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCC1 416102995 OOJUVVWIWDLXHZ-QGZVFWFLSA-N 294.398 3.798 30 20 CHED C=C(Cl)C[S@@](=O)Cc1cccc2ccccc12 78298715 TWYIBSGXIUIBJO-KRWDZBQOSA-N 264.777 3.841 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 184967389 DLKYDLNXFYKVIM-ZDUSSCGKSA-N 261.340 3.539 30 20 CHED CCOc1cc(/C=C\C(=O)c2ccccc2)ccc1O 211238114 RIFODJQPTKKNLR-NTMALXAHSA-N 268.312 3.687 30 20 CHED C=C[C@@H](C)Nc1nc(-c2cccnc2)nc2ccccc12 129249017 NOPYKNXJRHDYKZ-GFCCVEGCSA-N 276.343 3.678 30 20 CHED COc1ccc(C#N)cc1NC[C@@H](C)c1ccccc1 446815802 ZFVVZDXBIZRPLP-CYBMUJFWSA-N 266.344 3.782 30 20 CHED CCCCCN(CCCOC)Cc1ccccc1C#N 505850567 HORJBWFDGZIXMR-UHFFFAOYSA-N 274.408 3.587 30 20 CHED CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)c1ccc(C#N)cc1 186750328 DHIVPAGQLJDQJR-RDJZCZTQSA-N 270.376 3.593 30 20 CHED C=CCC[C@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)C1CC1 121159491 DCVNWKMCYUHXNX-LRDDRELGSA-N 287.407 3.573 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 32533978 VUBICUIBCZKPNR-CYBMUJFWSA-N 299.355 3.869 30 20 CHED CC#CCCCC(=O)N[C@@H](CC)c1ccc(F)cc1F 185628203 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MWBDGECKRPFFJL-DLBZAZTESA-N 290.366 3.917 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)cc1 45403894 VGQSMUNDPYRTAA-UHFFFAOYSA-N 292.382 3.919 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)s1 83853957 MXUIWIMTALVYBI-SECBINFHSA-N 254.786 3.746 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 513296999 SVQYWJDVOLDMAO-PJXYFTJBSA-N 290.794 3.766 30 20 CHED COc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1C#N 87823319 LMCDPVWNPDOWQU-UHFFFAOYSA-N 297.745 3.704 30 20 CHED C=CCC[C@H](C(=O)NC1CC(C)C1)c1ccccc1 427235435 WILJGAZXJIUHBC-BCLQGDPASA-N 257.377 3.651 30 20 CHED Cc1c(C#N)cccc1-c1nc(CCc2ccccc2)no1 511158090 GWCZHSITUQRTOZ-UHFFFAOYSA-N 289.338 3.702 30 20 CHED C=CCC[C@@H](C)N[C@H](C(=O)OC)c1ccc2ccccc2c1 428391939 XZZRQJHLUCYOGY-KDOFPFPSSA-N 297.398 3.998 30 20 CHED C[C@@H](CC(=O)Nc1ccccc1C#N)c1ccc(F)cc1 41130442 UAMZBXYXGPVQGO-LBPRGKRZSA-N 282.318 3.830 30 20 CHED C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 130503282 IBSIAROABIQHIP-CRAIPNDOSA-N 292.382 3.951 30 20 CHED CCC[C@H](C)c1cc(NC(=O)Nc2cccc(C#N)c2)[nH]n1 192199986 MTZZQJKORSIOSW-NSHDSACASA-N 297.362 3.829 30 20 CHED Cc1cc([N+](=O)[O-])cc(Cl)c1NCCCCC#N 193351958 AYYAITWBLVHPHF-UHFFFAOYSA-N 267.716 3.662 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2c2ccnc(C#N)c2)c1 515306505 MPOXMZBPJPOZDI-SFHVURJKSA-N 277.371 3.912 30 20 CHED C=CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 45479898 ODFUYYNVUWMWBA-UHFFFAOYSA-N 297.198 3.640 30 20 CHED CC1(F)CC(NC2CCC(C#N)(c3ccccc3)CC2)C1 335374869 WTQDEYCVLCOAKS-UHFFFAOYSA-N 286.394 3.871 30 20 CHED C=CCC[C@H](NC[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 195137063 CGFKDNPZKZKIMV-ICSRJNTNSA-N 298.474 3.843 30 20 CHED C=C(C)CNC(=O)c1cccn1[C@H](C)Cc1ccccc1 427952197 QPCUVTXXQBTGAB-OAHLLOKOSA-N 282.387 3.598 30 20 CHED C[C@H](/N=C(/O)N[C@@H]1CCOC2(CCC2)C1)C1CCCCC1 330204721 CXLYGFCIFGHNBP-DZGCQCFKSA-N 294.439 3.561 30 20 CHED C[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1cccc(C#N)c1 193017550 KHDLTIITRWWUEH-LBPRGKRZSA-N 291.354 3.616 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(NC(C)C)nc1 426771860 GQFXNJMEWXQWHC-UHFFFAOYSA-N 289.423 3.720 30 20 CHED COc1ccc(C)cc1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331310563 YVEJVMGVWCHBAT-ZYHUDNBSSA-N 262.353 3.518 30 20 CHED N#CC1(CCN2CCCC3(CCOCC3)C2)CCCCC1 336283408 IEOYALKSVFVGDN-UHFFFAOYSA-N 290.451 3.743 30 20 CHED CCc1nc(C)cc(Oc2c(C)cc(Cl)cc2C#N)n1 420637813 IQRRDUREOIFIMB-UHFFFAOYSA-N 287.750 3.973 30 20 CHED Cc1noc(C(C)C)c1/C(O)=N/C1CCC(C(=N)O)CC1 330618280 XMSFENSBWAJBJR-UHFFFAOYSA-N 293.367 3.505 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 331067382 QPZRSRSHLPHOAZ-CJNGLKHVSA-N 284.403 3.796 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccc(C#N)cc1 96891560 PQLYKVBIENRKCQ-HJWRWDBZSA-N 277.323 3.771 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)CCCC(F)(F)F)OCC 427738122 ACVRVOWUQSYYIG-NEPJUHHUSA-N 295.345 3.595 30 20 CHED N#Cc1cnc(NCc2cc3ccccc3[nH]2)c(Cl)c1 339138375 MKMAJXVSMHKQPH-UHFFFAOYSA-N 282.734 3.700 30 20 CHED CCc1c(C(O)=Nc2cnc(C)s2)cnn1C(C)(C)C 330423828 ZLWCWEZLQDJIBL-UHFFFAOYSA-N 292.408 3.602 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2cccc(C(F)(F)F)c2)no1 334525132 FVDMUVRYQDKQQO-OQPBUACISA-N 293.248 3.557 30 20 CHED N#Cc1ccncc1N[C@@H](c1ccccc1)c1ccccn1 94131963 RSOBIMRBNOGPMT-SFHVURJKSA-N 286.338 3.550 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(F)c(Cl)c1 435740708 FWJZDFCCEVOICS-WFASDCNBSA-N 283.774 3.550 30 20 CHED Cc1csc(NC(=O)c2sccc2Cl)c1C#N 336558612 IRCMRDWBZJOXHO-UHFFFAOYSA-N 282.777 3.895 30 20 CHED CN(C)c1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1 143451300 VDXYEGLOBGVAHQ-PTNGSMBKSA-N 293.366 3.671 30 20 CHED OC(=Nc1nc2cccnc2[nH]1)C12CC3CC(CC(C3)C1)C2 330055483 UMNFCNMMLFVKAX-UHFFFAOYSA-N 296.374 3.762 30 20 CHED C[C@H]1CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 237597644 PYQIKIQXFHHTLJ-SWLSCSKDSA-N 281.321 3.835 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccccc2N2CCCCC2)C1 334553843 ATCGBICZGIJUMJ-CABCVRRESA-N 269.392 3.781 30 20 CHED CC(C)Oc1cncc(/C(O)=N/CCC(C)(C)C)c1 331089434 GMGGZPYMVCNTTE-UHFFFAOYSA-N 264.369 3.610 30 20 CHED CC(C)CN(Cc1cccc(OCCCC#N)c1)C1CC1 92008917 IEWQRFSCNNWLCQ-UHFFFAOYSA-N 286.419 3.990 30 20 CHED COC(=O)c1ccc(Sc2cccc(F)c2C#N)cc1 523091839 LIZZZMPNSPIVSO-UHFFFAOYSA-N 287.315 3.635 30 20 CHED CCCN(CC#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 437690677 ZPBKMYGJZFRVTR-SJORKVTESA-N 256.393 3.732 30 20 CHED CC#CCN(C)C(=O)c1cc(Cl)ccc1SCC 341060380 ZHZAVCJFNYQUMY-UHFFFAOYSA-N 281.808 3.547 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc2ccccc2c1 345979885 BKMSWXMUFCPRJF-UHFFFAOYSA-N 280.371 3.900 30 20 CHED C[C@H]1CC(NC(=O)C2(c3cccc(C#N)c3)CC2)C[C@H](C)C1 435086610 NGDDGLWESSOAHG-ZIAGYGMSSA-N 296.414 3.531 30 20 CHED CN(Cc1cc(Cl)ccc1F)c1c(C#N)cccc1C#N 436425573 RGLCDSTYBXFSRJ-UHFFFAOYSA-N 299.736 3.859 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 437670452 GARWJLOGUDSMMP-ZQIUZPCESA-N 284.403 3.952 30 20 CHED COc1ccc([C@H](Nc2ncccc2C#N)C(C)C)cc1 248210292 CUYNYGTZIXABPF-MRXNPFEDSA-N 281.359 3.771 30 20 CHED CCC(C#N)(CC)c1nc(Cc2ccc(F)cc2C)no1 528171871 MSADMBLNJSEMTO-UHFFFAOYSA-N 287.338 3.689 30 20 CHED C=CCC[C@H](NCc1nccc(C)n1)c1ccccc1 341936985 ADTYJRIADLRTPP-INIZCTEOSA-N 267.376 3.582 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)c1ccnc(C#N)c1 341744774 PIECUZPLDKVMPD-LBPRGKRZSA-N 277.327 3.897 30 20 CHED C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(C#N)oc1C 437181105 PJHAFWQZVHHLLP-LCYFTJDESA-N 294.354 3.635 30 20 CHED C=CCOc1ccccc1CN[C@H](C)[C@@H]1CC12CC2 527864734 SUGNNYFVBXXNAP-HIFRSBDPSA-N 257.377 3.530 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2nc3ccccc3[nH]2)CC1 602431254 CCJLYNKHSNOSLC-AWEZNQCLSA-N 296.418 3.682 30 20 CHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccc(Cl)nc1 255627881 RAUTXWPQXJRRFP-RJRFIUFISA-N 294.137 3.990 30 20 CHED Cc1ccccc1C(=O)/C=C\c1nccn1CC(F)(F)F 255640107 QAUXZRHUHFYCLF-SREVYHEPSA-N 294.276 3.650 30 20 CHED CC(C)c1cccc(C(=O)Nc2ccc(C#N)cc2Cl)n1 430377404 PQIAALDVJZKUHX-UHFFFAOYSA-N 299.761 3.982 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)ncc1Br 340937395 PQNXNOVHTMLPRF-UHFFFAOYSA-N 296.212 3.894 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2cncc(F)c2)cc1 255146146 PYMQKUWVTLEVJL-YFHOEESVSA-N 298.361 3.963 30 20 CHED C/C(=C/C(=O)Nc1ccc(F)cc1C#N)c1ccccc1 255125563 VJMWFSYKPINDEK-XFXZXTDPSA-N 280.302 3.739 30 20 CHED C=CCCN(C)C(=O)c1ccc(OCc2ccccc2)cc1 344265103 PDSOXDKPJNFRGR-UHFFFAOYSA-N 295.382 3.914 30 20 CHED COc1cc(C#N)ccc1OCCCOCc1ccccc1 183239618 SGPIAHGERXHWBK-UHFFFAOYSA-N 297.354 3.553 30 20 CHED C=CC[C@@H](C)NC(=O)c1oc2ccccc2c1CSC 609738671 BOHIZLMQBXSPKK-LLVKDONJSA-N 289.400 3.990 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2CC#N)C1 601037885 FNJVGWNLOAGXOX-HZPDHXFCSA-N 284.403 3.697 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2csc(C)n2)cc1 348656197 BMSWXPJJPBDQBJ-INIZCTEOSA-N 299.399 3.997 30 20 CHED CC(C)n1ncc2ccc(NC[C@H](C)CCC#N)cc21 602590433 UKFASXOILVBFAQ-CYBMUJFWSA-N 270.380 3.969 30 20 CHED CC(C)COc1ccc(NCc2cc(C#N)cs2)cn1 344809108 BDRUHMRIBNBXPA-UHFFFAOYSA-N 287.388 3.662 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC)c1ccccc1OC(F)F 341879448 UVWIGYMFVNHNFV-TZMCWYRMSA-N 299.361 3.513 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 609116781 DGYUCGRQXLQAAD-ROUUACIJSA-N 298.430 3.966 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 449946966 AZRZXSXTNRVQKO-LRDDRELGSA-N 281.359 3.585 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@H]2CC[C@H](C)C2)c1 444826476 HOQAHCNYPVEMHS-ZFWWWQNUSA-N 288.391 3.952 30 20 CHED COc1ccc([C@@H](NCCCC#N)c2ccccc2)cc1 357624526 NPFGRWAACFDYJW-SFHVURJKSA-N 280.371 3.678 30 20 CHED CC(C)N(Cc1cccc(C#N)n1)[C@H](C)c1ccsc1 602696684 FKDWPLWDQAODDH-CYBMUJFWSA-N 285.416 3.986 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 536894334 UFYOVUIEMUZDKL-HOTGVXAUSA-N 294.329 3.748 30 20 CHED C[C@@H](C1CC1)N(C(=O)C[C@H](CC#N)c1ccccc1)C1CC1 354396326 UGYDIVXVGVXWOD-YOEHRIQHSA-N 296.414 3.863 30 20 CHED C[C@H](Nc1ccc(NC(=O)[C@H](C)C#N)cc1)c1ccccc1 357794059 NRRFUMDBPDMDEX-KGLIPLIRSA-N 293.370 3.958 30 20 CHED C=CCCCCNC(=O)NCc1nc(C(C)C)c(C)s1 351709945 LBYRWZCYVOTJMY-UHFFFAOYSA-N 295.452 3.730 30 20 CHED C=CCOc1ccc(C(=O)N(CC2CC2)C2CCC2)cc1 350437684 HEFPZBMWTCNWDX-UHFFFAOYSA-N 285.387 3.656 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(SC)c(F)c1 449516825 CPHCFKOMZCEIAO-GDLCADMTSA-N 281.396 3.542 30 20 CHED C[C@@H]1CCN(CCOc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]21 603846871 FPDNGWGJTWDOCG-LZQZEXGQSA-N 298.430 3.838 30 20 CHED CC[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1OC(F)F 537855028 RIELNDASIAXVNS-SMDDNHRTSA-N 294.345 3.923 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CC#N)cc1 267626736 WCBYWDQOORKWRV-UKPHBRMFSA-N 297.402 3.938 30 20 CHED CC(C)(C)Oc1ccc(CNc2ccc(C#N)nc2)cc1 610541625 UTMBHIMAZQXGDW-UHFFFAOYSA-N 281.359 3.743 30 20 CHED N#Cc1ccncc1N1CCC(OCC2CCCCC2)CC1 538761179 OIDWIAPFQNQRQX-UHFFFAOYSA-N 299.418 3.519 30 20 CHED C=CC[C@@H]1N(C(=O)NC2CC(C)C2)CCCC1(C)C 445114030 OOPKKBOMCYLSGD-RUXDESIVSA-N 264.413 3.561 30 20 CHED N#Cc1ccc(SCCc2ccncc2)c(Cl)c1 619573178 GFIGVAFUOUELSW-UHFFFAOYSA-N 274.776 3.941 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(C)(F)F)cc1 351622810 FNOXLCZPRKOHDM-CQSZACIVSA-N 279.330 3.979 30 20 CHED C[C@@H](CCc1c(F)cccc1F)N[C@H]1CC[C@@H](CC#N)C1 449446041 NMTXMXBSXNMTJD-IHRRRGAJSA-N 292.373 3.958 30 20 CHED CC[C@@H](N[C@H](C)CC(F)(F)F)c1ccc(C#N)cc1 447600333 LXHPPSBZUXOOAJ-ZWNOBZJWSA-N 270.298 3.940 30 20 CHED C=CC(C)(C)C(=O)NCCc1ccc2ccccc2c1 448688256 AQQVDUQVYPQQIK-UHFFFAOYSA-N 267.372 3.711 30 20 CHED C=CCC[C@@H](CCC)N[C@@H]1CCOC2(CCC2)C1 539060017 MDYAIJVIRHJPOL-HUUCEWRRSA-N 251.414 3.813 30 20 CHED C=CCC1(NC(=O)CCc2ccc(F)cc2)CCCC1 619106780 VNAOBIKFCPRUHJ-UHFFFAOYSA-N 275.367 3.763 30 20 CHED Cc1ccc2sc(C(=O)N(C)C[C@@H](C)C#N)c(C)c2c1 446102333 ZUFYDKPQULKFJC-NSHDSACASA-N 286.400 3.750 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2cccc(F)c2F)CC1 356629796 WEBAXMGUOLXDRX-LLVKDONJSA-N 279.330 3.888 30 20 CHED C=CCCCCNC(=O)N[C@@H](CC)c1ccc(OC)cc1 351680422 RYNDPMJVWXAHQI-INIZCTEOSA-N 290.407 3.802 30 20 CHED Cc1cc(CNCCc2ccc3[nH]ccc3c2)ccc1C#N 441235463 XXZLGACXVFBFJQ-UHFFFAOYSA-N 289.382 3.680 30 20 CHED C=CCCC[C@@H](C)NC(=O)NC1(c2cccc(F)c2)CC1 539473721 NUGRTQVBFSXJDW-CYBMUJFWSA-N 290.382 3.859 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1CCC(C)(C)C#N 611553997 AOTVFDKQSOBGAX-WDEREUQCSA-N 262.319 3.589 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3ccncc3s2)C1 617777618 SYKFYZMAMTZJOH-GFCCVEGCSA-N 286.400 3.725 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H](c3ccco3)C2)c1C#N 363652122 OMIQPMNTINCHFT-NSHDSACASA-N 287.750 3.502 30 20 CHED C=C(CC)CNC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 454206341 OPWSZLVXTQPELN-NSHDSACASA-N 298.333 3.614 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCC[C@H](C(C)C)C1)OCC 535908679 AURQODBUBAPHNX-JYJNAYRXSA-N 281.440 3.689 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ccc(SC)cc1 454936507 PYTYNRUGTSZVSU-LBPRGKRZSA-N 278.421 3.735 30 20 CHED C[C@@H]1c2ccccc2OCCN1Cc1ccc(C#N)s1 611262748 SVWCSBHZQMFPAV-GFCCVEGCSA-N 284.384 3.575 30 20 CHED CC#CCN(C)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 458098047 YUWWTMKIISITKP-SNVBAGLBSA-N 299.201 3.719 30 20 CHED CC(C)(CCC#N)CN1CC(C)(C)[C@@H]1c1cccnc1 366536712 TUDVZNDGBJFQTN-HNNXBMFYSA-N 271.408 3.794 30 20 CHED C=CCCCN[C@H](c1ccccc1)C1CCOCC1 362259170 TYHBOKVFNBLXLE-QGZVFWFLSA-N 259.393 3.710 30 20 CHED CCC1(CNC(=O)CCc2ccc(C#N)cc2)CCCCC1 545132102 JRLRTLOBUFNDSP-UHFFFAOYSA-N 298.430 3.968 30 20 CHED CCN(CC)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 455794503 NBGKUHPXYQZHIS-UHFFFAOYSA-N 289.379 3.609 30 20 CHED C=CCC1(CNC(=O)Nc2c(C)ccnc2C)CCCC1 455433917 GNSNEJYUHUUFSB-UHFFFAOYSA-N 287.407 3.956 30 20 CHED CC(C)CN(C(=O)[C@H]1CC12CCC2)c1ccc(C#N)cc1 610737853 OBKSWFBZNRLHOW-MRXNPFEDSA-N 282.387 3.737 30 20 CHED C=CCOc1ccc(CC(=O)NCC(C)(C)CC=C)cc1 452141640 VKAYYBYMTYTLHA-UHFFFAOYSA-N 287.403 3.512 30 20 CHED CC1(C)CCc2cc(CN3CCC[C@@](C)(C#N)C3)ccc2O1 612407079 YONADNHCEDYQJD-IBGZPJMESA-N 298.430 3.916 30 20 CHED C[C@@H](c1noc(COc2ccc(C#N)cc2)n1)C(C)(C)C 544978553 RPHKWFNNCFCTKQ-NSHDSACASA-N 285.347 3.670 30 20 CHED Cc1ccc([C@@]2(C)CCN(C(=O)C3(C#N)CCCC3)C2)cc1 364246364 UIPZNXLUMOVZJP-SFHVURJKSA-N 296.414 3.569 30 20 CHED CC(C)(C#N)CC(=O)N1CC[C@@](C)(CCc2ccccc2)C1 279044986 QXTZSPNBMUTLKI-LJQANCHMSA-N 298.430 3.798 30 20 CHED CCc1nc(C)c(COc2cc(Cl)cc(C#N)c2)o1 450958153 ILWOVAZBVVULTP-UHFFFAOYSA-N 276.723 3.650 30 20 CHED CCN(C[C@H]1CCSC1)[C@H](C)c1ccc(C#N)cc1 278374526 CBUJBFVYTAIHAA-UKRRQHHQSA-N 274.433 3.694 30 20 CHED Cc1ncc(-c2ccc(NC(=O)CC(C)(C)C#N)cc2)o1 278615632 WOSYMPXZRZPIDV-UHFFFAOYSA-N 283.331 3.528 30 20 CHED CC(C)[C@@H](NC(=O)NCCCC#N)c1ccc(Cl)cc1 273321034 KEZSNCOAKGEQPR-CQSZACIVSA-N 293.798 3.640 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CC[C@H](F)C1 360359285 IMFQRFDKIVTIGM-NWDGAFQWSA-N 279.380 3.585 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nc(C(F)(F)F)cs1 274616010 LDHSXAFTLNGKQP-DJLDLDEBSA-N 289.326 3.505 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1oc2ccccc2c1C 453343364 FATLCAZYJQPCKA-CFVMTHIKSA-N 271.360 3.735 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(C)c(OC)c2)no1 453060768 BCKFPTFLIMAEQF-UHFFFAOYSA-N 258.321 3.517 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC1CC(OC(C)(C)C)C1 272621867 YIIJCGNWYWWKMO-HSBZDZAISA-N 288.391 3.735 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)[C@H]2CCCC[C@H]12 542969165 KQIGJSLRLJGMCP-XYPHTWIQSA-N 254.377 3.569 30 20 CHED C=CCN(Cc1cnc(C2CC2)o1)Cc1cccs1 628121507 JTOTUWPRYAVBCA-UHFFFAOYSA-N 274.389 3.802 30 20 CHED N#Cc1ccc(SCc2ncc(Cl)cc2Cl)nc1 540730163 GZJZPHRVTDRJII-UHFFFAOYSA-N 296.182 3.947 30 20 CHED C=CCCCCNC(=O)C1(Cc2ccccc2F)CC1 467879232 OCZJCVPZFXMFBC-UHFFFAOYSA-N 275.367 3.621 30 20 CHED C=CCCN1CC[C@](F)(c2cccc(Cl)c2)C1 549180477 ODPFJHHBMBEPNI-CQSZACIVSA-N 253.748 3.787 30 20 CHED C=CC[C@H]1N(C(=O)CCc2ccncc2)CCCC1(C)C 277847719 CIHFKNZQAAHAOH-MRXNPFEDSA-N 286.419 3.608 30 20 CHED C=CC[C@@H](CC)N[C@@H](CCOC)Cc1cccc(F)c1 467417301 KIDNTCSGCOKHJN-SJORKVTESA-N 279.399 3.718 30 20 CHED CC[C@H](NCc1cn2ccsc2n1)c1ccc(C#N)cc1 278758054 OHKNGUWUHVPEBK-HNNXBMFYSA-N 296.399 3.508 30 20 CHED C=CCCOCC(=O)N(c1ccc(Cl)cc1)C(C)C 624965186 URTHZYBIWOKKBH-UHFFFAOYSA-N 281.783 3.674 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2ccc(Cl)cc21 466379664 FBYNQNHLOLBCKN-ZDUSSCGKSA-N 278.783 3.767 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H](CC)C1CCC(C)CC1 546597423 DHLBLIGYIUBOBZ-WUCCLRPBSA-N 264.413 3.647 30 20 CHED C=C[C@H](C)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 465102282 KKEQHKKSQBPMDU-QWRGUYRKSA-N 285.309 3.890 30 20 CHED CCC1(CC)CN(Cc2ccc(C#N)s2)CCS1 468543651 SFISCHXEIITFMJ-UHFFFAOYSA-N 280.462 3.727 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 284186173 GYLWQKTVPSBGPN-RDTXWAMCSA-N 294.398 3.652 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 285565818 UDZAREXAKQQFEJ-CXAGYDPISA-N 288.391 3.591 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 286221135 CZAAVTCCNHXEIZ-DOTOQJQBSA-N 269.388 3.790 30 20 CHED CC#CCN(C)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 554688296 HBSOREVPOYFICP-KBPBESRZSA-N 296.197 3.579 30 20 CHED C=C[C@H]1CCCCN1C(=O)C/C=C/Cc1ccccc1 635866725 KAHFKDOGVUZWRE-LXXRFIIISA-N 269.388 3.743 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccnn2C(C)C)c1 280071542 PXTALOCNLRCSSZ-BQYQJAHWSA-N 254.333 3.669 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc(Cl)c(Cl)c1 464902875 KRTGKAIERMDJOF-SSDOTTSWSA-N 259.136 3.689 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C1CCC(C)CC1)C1CC1 280748118 MBLXRCBAUYNKNW-UHFFFAOYSA-N 286.375 3.643 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@](C)(CC)C2)c1 467896811 BBMASODZFGGBOL-KRWDZBQOSA-N 288.391 3.905 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cn1 554074202 VZBMDRLNQIJVGW-HOTGVXAUSA-N 271.408 3.648 30 20 CHED C=C(C)[C@@H](CC(=O)NCCC1=CCCCCC1)OCC 464231912 RIZNJSNKRJGTQR-MRXNPFEDSA-N 279.424 3.755 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCCC(C)(C)C1 555257047 BPBMPCIMVONJOJ-UHFFFAOYSA-N 276.428 3.604 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cn(C)nc1C1CCCCC1 281482892 UUHIVUDGGYRTCX-CQSZACIVSA-N 289.423 3.552 30 20 CHED C=CCCCCNC(=O)N[C@H](C)[C@@H](C)c1ccccc1 472775996 VTXRDRNWIVFOJP-HUUCEWRRSA-N 274.408 3.834 30 20 CHED C=CC[C@@H](CC)N[C@H]1CCc2nc(Cl)ccc21 806164545 WJKOVPYFVZNXPT-PWSUYJOCSA-N 250.773 3.667 30 20 CHED Cc1cccc(C(=O)N2CCCc3cc(C#N)ccc32)c1C 297837493 RCQRMQVSBBUHBX-UHFFFAOYSA-N 290.366 3.768 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 291527542 ZFUOBLDRLYLGDN-CVEARBPZSA-N 284.403 3.791 30 20 CHED CCOc1ccc(/C=N\CC(C)(C)CCC#N)c(O)c1 806552119 PPEAHVJSFXUFHJ-WQRHYEAKSA-N 274.364 3.540 30 20 CHED C[C@@H](NC(=O)N(C)[C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 474136772 YTOBTIKESXMDCY-CJNGLKHVSA-N 299.418 3.839 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](C)C1 472176252 ONQHWWAWUZYAAB-WBVHZDCISA-N 286.419 3.963 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 294825671 WQYDITSOADZMJV-AWEZNQCLSA-N 299.374 3.565 30 20 CHED C#CCCN1CCC(c2ccc(Br)cc2)CC1 800412886 UCVMKIXMZGZUSD-UHFFFAOYSA-N 292.220 3.652 30 20 CHED CC#CC(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1 801180501 YWDHRCPHZYMTBZ-KRWDZBQOSA-N 269.388 3.887 30 20 CHED Cc1ccc(C(=O)COC(=O)CCCCCC#N)c(C)c1 805695146 KMLFEKMWWOYOQN-UHFFFAOYSA-N 287.359 3.503 30 20 CHED CC(C)C(CCc1ccc(Cl)cc1)=NNc1nc[nH]n1 807995731 MKUJFVWOPSYEDR-UHFFFAOYSA-N 291.786 3.515 30 20 CHED CCC(CC)CN(CCC#N)CCc1ccncc1C 568082776 RJSRYABSBPQYNB-UHFFFAOYSA-N 273.424 3.584 30 20 CHED C=CCN(Cc1cc2c(cc1Cl)OCCO2)C(C)C 808710375 IZPGMMGVZMUVNW-UHFFFAOYSA-N 281.783 3.508 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1cc(C#N)ccc1NC1CC1 803314248 WIOKYCASBLEHHL-QXMHVHEDSA-N 283.375 3.817 30 20 CHED C=C[C@H](CC(=O)OCCCSCC#N)c1ccccc1 805518926 DLFUHLOYUVAYPB-CQSZACIVSA-N 289.400 3.536 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H](C)c2ccc(C)o2)cc1 803377888 JIIIPUPTNYKQKS-AWEZNQCLSA-N 299.370 3.573 30 20 CHED CC/C(C)=C(/C)C(=O)NCc1ccc(C#N)c(Cl)c1 801071909 AWCYCVRJFFWFRM-KHPPLWFESA-N 276.767 3.574 30 20 CHED C=CCOCCCSc1ncc(C(C)(C)C)o1 475879888 FBZNEFPCESEAGG-UHFFFAOYSA-N 255.383 3.657 30 20 CHED N#Cc1ccc(N2Cc3cccc(Cl)c3C2)c(F)c1 808085657 QSCJXUPJOMQNKF-UHFFFAOYSA-N 272.710 3.871 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1scc(C)c1C#N 297923121 XXVCTYGJGVYNOH-MNOVXSKESA-N 262.378 3.693 30 20 CHED N#CCCC1CCN(Cc2cccc3cccnc23)CC1 399366701 SKPZTQRGQWDBDZ-UHFFFAOYSA-N 279.387 3.751 30 20 CHED C[C@H](C#N)OCCN1C[C@@H](c2ccccc2)c2ccccc21 801949045 AOKDPPJYBNSXIY-QAPCUYQASA-N 292.382 3.567 30 20 CHED N#C[C@@H](C(=O)c1occ2c1CCC2)c1nc(C2CC2)cs1 647379695 FCOLNQBRGPVUPY-LBPRGKRZSA-N 298.367 3.592 30 20 CHED C=C(C/N=C/c1cccc(OCC)c1O)c1ccccc1 806550650 NGGJGUQHGSEKFS-CPNJWEJPSA-N 281.355 3.923 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@H]1CF)c1ccccc1 647445863 AZHLNWZGXLCCMO-JKSUJKDBSA-N 275.367 3.697 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)NCCc1cccc(C#N)c1 561281962 ZZOBYZSLPAQWKP-CQSZACIVSA-N 286.419 3.679 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(C#N)s1 812243778 UTRJRBTXWJKSGZ-DJWKRKHSSA-N 287.315 3.664 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 483120566 KKJAYPGPRHTSQS-CABCVRRESA-N 261.409 3.914 30 20 CHED Cc1c(C(=O)/C=C\c2cccc(C3CC3)c2)cnn1C 817347332 YNJAUYUSVSHAKW-TWGQIWQCSA-N 266.344 3.502 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1cc(N)ccc1F 814916957 GDNKZWNVHDYZKS-OAHLLOKOSA-N 277.387 3.690 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NC1(C#N)CCC1 489729993 RVWJDCDHDZTJRS-KBPBESRZSA-N 282.387 3.538 30 20 CHED Cc1cc(CN2CC[C@@H]2Cc2ccccc2)ccc1C#N 488217786 ZOGOKBABHFBPQK-LJQANCHMSA-N 276.383 3.684 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1nccc2ccccc12 811637643 FYRLOVKFZXBNAG-UHFFFAOYSA-N 286.338 3.943 30 20 CHED C=CCN1CC[C@@H](Nc2cccc(-c3ccccc3)c2)C1=O 488411292 OJWJOYCYCMWRKO-GOSISDBHSA-N 292.382 3.552 30 20 CHED CC(C)C[C@@](C)(NCC#N)c1cccc(Br)c1 483043469 AJMWGAGVAVDNFQ-CQSZACIVSA-N 295.224 3.824 30 20 CHED C#CC[C@@H](NC(=O)c1ccn(C(C)C)c1C)c1ccccc1 815876858 RLOXBXBOBOBPEN-GOSISDBHSA-N 294.398 3.872 30 20 CHED N#C[C@H]1CCCC(=NNc2cccc(C(F)(F)F)n2)C1 814853159 FLYWNJGAWYOXHX-VIFPVBQESA-N 282.269 3.582 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1cncc2ccccc12 488835502 YQHJUXWMEMQDEG-QGZVFWFLSA-N 294.398 3.735 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](CCC)CCCC 483986919 NTPHZMWBBWJEEW-CQSZACIVSA-N 254.418 3.953 30 20 CHED CC(C)(C)c1ccc2[nH]cc(C=NNC3CC3)c2c1 811647649 VJBZWWNPBLIMTD-UHFFFAOYSA-N 255.365 3.551 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)c1ccc(C#N)c(C)n1 488036498 RLHBXECEBYZTNX-KRWDZBQOSA-N 295.386 3.858 30 20 CHED Cc1cc(C=NOCCC2CC2)c(C)n1-c1nccs1 814245259 NVXJLSARVVJFDO-UHFFFAOYSA-N 289.404 3.701 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(COC)cc2)no1 578365322 FJOOGUWGWKFPRQ-MRXNPFEDSA-N 272.348 3.737 30 20 CHED C=CCC[C@H](C(=O)N1CCO[C@@H]2CCC[C@@H]21)c1ccccc1 488704211 YXZLMXVTPCPJFO-OKZBNKHCSA-N 299.414 3.516 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@@H]1CCCC 815337559 RDWGHWPIXRRQGD-RYUDHWBXSA-N 259.340 3.673 30 20 CHED CN(C)C1CCC(/N=C\c2c(O)ccc3ccccc23)CC1 817708445 XWPJYNZJYADYDI-MOSHPQCFSA-N 296.414 3.837 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1[C@H](C)CCC 489037898 HHAUJNDASJZLSG-HUUCEWRRSA-N 274.408 3.715 30 20 CHED COc1cccc(NN=C(C)c2ccc(F)c(F)c2)c1 725855356 QKYNMXLKCAWGLC-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C=C(C)CNC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 488556426 CRJMFRXMOKZZOD-INIZCTEOSA-N 288.366 3.637 30 20 CHED C#Cc1cccc(NC(=S)N(CCC(C)C)C2CC2)c1 726456494 VTSCOFVWFBPZCQ-UHFFFAOYSA-N 286.444 3.875 30 20 CHED C=CCN(CC=C)[C@@H](C)C(=O)Nc1cccc2ccccc12 571868193 ZCQOAUSMIHHOMI-HNNXBMFYSA-N 294.398 3.841 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC[C@H](C#N)CCC#N 579217600 WZNGXLYDEIHLQS-XHSDSOJGSA-N 261.413 3.626 30 20 CHED C#Cc1ccc(C(=O)OCCCCCCCC)cn1 729031456 IYRXCQYHCJKSBF-UHFFFAOYSA-N 259.349 3.580 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccccc1 820604664 GLDXWHMADLOELF-XIRDDKMYSA-N 284.403 3.581 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@@H](CC)c1ccccc1 494198295 MFSSZVCESCUGKY-NVXWUHKLSA-N 286.419 3.930 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC[C@@H](C2CCCCC2)C1 660681675 UAGFYCMONSOXET-UKRRQHHQSA-N 264.413 3.563 30 20 CHED C=CCN(CCOc1cccc(F)c1)CCc1ccco1 491422044 GRRKKVVELIFYDR-UHFFFAOYSA-N 289.350 3.528 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)c1ccc(C)s1 726738019 IKRLLWRALNORRM-UHFFFAOYSA-N 298.371 3.943 30 20 CHED C=CCn1cccc1C(=O)N(C1CC1)[C@H](C)[C@H](C)CC 490034070 QRKCORNOJVBGSO-ZIAGYGMSSA-N 274.408 3.713 30 20 CHED Cc1cccc(CN(CC(C)C)C(=O)C#CC(C)C)c1 824567326 RSQVKAIINPXCNR-UHFFFAOYSA-N 271.404 3.639 30 20 CHED CCc1cccc(NC(=S)N(CCC#N)CC2CC2)c1 728790392 USFVXKOKVIJPDM-UHFFFAOYSA-N 287.432 3.571 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)c1ccsc1 669862245 BWAYDYARDPFZAQ-GFCCVEGCSA-N 287.384 3.804 30 20 CHED CCCc1ccc(C(=O)/C=C/c2ccc(C(=O)O)[nH]2)cc1 829566065 BRAAKUIGHHXPSO-PKNBQFBNSA-N 283.327 3.562 30 20 CHED CC[C@@](C)(C#N)c1nc([C@@H](C)c2ccccc2C)no1 584436201 VBLVYRPDJBVBSM-LRDDRELGSA-N 269.348 3.721 30 20 CHED N#Cc1cc(N2CCC(Cc3ccc(F)cc3)CC2)ccn1 587750024 VETKOAVJCQDTPT-UHFFFAOYSA-N 295.361 3.551 30 20 CHED CC(C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)=C1CCC1 828194680 QUEZOTNHAJHHHS-UHFFFAOYSA-N 292.382 3.674 30 20 CHED CCC/C=C\C(=O)[C@@H](C#N)c1ccc2ccccc2n1 735203376 FOOWVDDYQIBVDQ-DFGFTWQDSA-N 264.328 3.767 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(Cl)cc1SC 667377235 ONXWVJLKULDPNM-UHFFFAOYSA-N 282.796 3.549 30 20 CHED C=CC[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccncc1 734455658 JYZBZMGWGHLIFM-AWEZNQCLSA-N 298.411 3.679 30 20 CHED CC(C)Oc1ccc(N[C@@H]2CSC[C@H]2C)cc1C#N 824125932 QLUJEBNTLBXEMS-BXUZGUMPSA-N 276.405 3.509 30 20 CHED CCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 581220992 NJRXIKILWWSEMC-LJQANCHMSA-N 292.382 3.734 30 20 CHED CCOc1cccc(/C=N/CC2Cc3ccccc3C2)c1O 735228457 BOVXPIWOPQSXBR-DEDYPNTBSA-N 295.382 3.625 30 20 CHED CSCC[C@](C)(C#N)NC(=O)[C@@H](C)CC1CCCCC1 584374391 DPADITOMDPPNFF-XJKSGUPXSA-N 296.480 3.744 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCCCC#N 588369608 UQUGTOAUUIZHBQ-RBSFLKMASA-N 262.397 3.640 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccoc1C 665702874 XUQRJJXXCRXQPU-KRWDZBQOSA-N 298.386 3.575 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cccc3nc(C)[nH]c23)no1 583526073 SDSJDVRKTMBUSV-INIZCTEOSA-N 282.347 3.775 30 20 CHED C=CCC(C)(C)C(=O)N1CC=C(c2ccccc2F)C1 498566552 LLCKPGXJPLGVCW-UHFFFAOYSA-N 273.351 3.654 30 20 CHED C=CCN(CC=C)C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 497893877 HREVPLLTKWYNGA-YESZJQIVSA-N 293.451 3.664 30 20 CHED N#Cc1ccc(COC(=O)/C=C/C2CCCCC2)c(F)c1 735565780 QXJSYXPCROPXQV-VQHVLOKHSA-N 287.334 3.877 30 20 CHED C=CCCC(C)(C)NC(=O)NCCCc1cccs1 664564214 CMEQIJOCSHZUPJ-UHFFFAOYSA-N 280.437 3.725 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cnn(CC(C)C)c1C 666488441 CQUQJLURUNJTOP-UHFFFAOYSA-N 292.427 3.714 30 20 CHED N#Cc1cnc(/C=C\c2cccc(OC3CCCC3)c2)cn1 905079646 CRRJYYDQEQQWAN-HJWRWDBZSA-N 291.354 3.840 30 20 CHED C[C@H](C(=O)OCc1cccc(C#N)c1)c1ccccc1F 731395227 RVSSGRDZPMHBPV-LBPRGKRZSA-N 283.302 3.544 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 589452776 OUXFULKWBWUUND-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCCOc1ccccc1-c1ccc(OCCOC)nc1 665192673 WMWXRKMJGIWDGN-UHFFFAOYSA-N 299.370 3.729 30 20 CHED CC(C)C#CC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 831931675 SMTACEBPQUZECP-UHFFFAOYSA-N 283.415 3.528 30 20 CHED C=CCC[C@H](CC)Nc1ccc(N2CCCC2)cn1 583339919 MGEDTBKROZQYBI-AWEZNQCLSA-N 259.397 3.839 30 20 CHED Cc1cc(NC[C@H]2CCC3(CCCCC3)O2)cc(C#N)n1 588031701 HMQRMQWTVQWHTJ-MRXNPFEDSA-N 285.391 3.556 30 20 CHED Cc1ccccc1[C@@H](Nc1cc(C#N)ncn1)C(C)(C)C 583477818 DNBAOWYZWDICQC-MRXNPFEDSA-N 280.375 3.856 30 20 CHED Cc1cccc(CNC[C@H](C)CCC#N)c1Br 589822758 SNKGMBDOHHXUAJ-LLVKDONJSA-N 295.224 3.787 30 20 CHED CC(C)c1ccc(CCN[C@H]2CC[C@@H](C#N)C2)cc1 580507965 ACLJZKQQCVZYGC-WBVHZDCISA-N 256.393 3.634 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC[C@@H](C#N)CCC#N 583867355 DERAXYDUADJZTQ-UONOGXRCSA-N 298.415 3.936 30 20 CHED C=CCN(C(=O)Cc1ccc(OCC(C)C)cc1)C(C)C 730170357 ZQQCRDCSVQRYFF-UHFFFAOYSA-N 289.419 3.687 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cc(C)sc1C 586818578 PHYROLYNXIWUOH-UHFFFAOYSA-N 285.372 3.531 30 20 CHED CC(=NNC1CCCC1)c1cnc2ccsc2c1 739409947 LBGPQYRNXMWWFN-UHFFFAOYSA-N 259.378 3.553 30 20 CHED C#CCN(CC)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 733099676 PVBKSTGHYDAJLJ-JTQLQIEISA-N 284.186 3.579 30 20 CHED C=CCCCOC(=O)c1cc(-c2cccc(F)c2)no1 735529815 NLHBHYKBIOVURO-UHFFFAOYSA-N 275.279 3.604 30 20 CHED C=CCCc1ccccc1NC(=O)CSC(F)F 831299122 JYKGMRJDQJJQMM-UHFFFAOYSA-N 271.332 3.700 30 20 CHED N#C[C@H]1CCCC(=NNc2cc(Cl)ccc2[N+](=O)[O-])C1 835009345 QVTROGNMJSBCLQ-VIFPVBQESA-N 292.726 3.730 30 20 CHED N#Cc1c(F)cccc1NC1(Cc2ccccc2)CC1 583354576 YTRUEUBGZPSEBN-UHFFFAOYSA-N 266.319 3.885 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1nc(C)c(C)[nH]1)C2=O 901490342 VBOJZVJETVMQTF-WULZRQGASA-N 266.344 3.718 30 20 CHED N#Cc1sccc1-c1ccc(C2(C(=O)O)CCC2)cc1 583155345 RIKLLACSSQHRCW-UHFFFAOYSA-N 283.352 3.793 30 20 CHED C[C@H]1CC[C@@H](C)C(=NNc2ncnc3sccc23)C1 834936138 SPVRJPBOWMXLIL-VHSXEESVSA-N 274.393 3.915 30 20 CHED Fc1c(C=NOC2CCCCC2)ccnc1Cl 834973423 WJPAHLSOHFMUDK-UHFFFAOYSA-N 256.708 3.557 30 20 CHED C#CCCCCCCOC(=O)C[C@@H](C)c1ccncc1 835714648 MUFBGWSVVHCYJY-OAHLLOKOSA-N 273.376 3.702 30 20 CHED C[C@@H](c1ccc(C(=O)OCCCC#N)cc1)C(F)(F)F 835268580 TWKUJVWQLVJUND-JTQLQIEISA-N 285.265 3.813 30 20 CHED C=C(CNC(=O)NC1CCCCCC1)c1ccccc1 672668554 GGPJMOOMJIIFCK-UHFFFAOYSA-N 272.392 3.722 30 20 CHED C#CCCCC(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 839849686 YTCLGBOWZSQUKA-RYQLBKOJSA-N 283.415 3.879 30 20 CHED CC(C)(C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 839051253 NDRGNFHIJGFHOO-SWLSCSKDSA-N 289.350 3.729 30 20 CHED C[C@@H](C#N)OCCN(C)c1ccc2c(c1)oc1ccccc12 830834218 SYMSFEASQANAHH-ZDUSSCGKSA-N 294.354 3.951 30 20 CHED Cc1cc(/C=C2\COc3ccc(F)cc3C2=O)cc(C)c1O 731565655 XEELRBHQXQRRSY-NTUHNPAUSA-N 298.313 3.807 30 20 CHED C[C@@H]1C/C(=C/c2cnn(C)c2Cl)C(=O)c2ccccc21 834429981 BTVWVPVULFILHW-UBYNWHESSA-N 286.762 3.847 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](CC)[C@@H](C)O)cc1 834887350 ICKPFNDQSRRACG-WOSRLPQWSA-N 297.826 3.628 30 20 CHED Cc1cccc(Cl)c1C(=O)NCCC#C[Si](C)(C)C 912327030 KKSICWHRSGDFFN-UHFFFAOYSA-N 293.870 3.649 30 20 CHED N#CC[C@@H](CC(=O)N1CC[C@H](C2CCC2)C1)c1ccccc1 591125744 OYWLKHDPBZWOFT-ROUUACIJSA-N 296.414 3.723 30 20 CHED C=C(C)CCOC(=O)c1cn(C)nc1C1CCCCC1 744304291 JLWYHOSVWKAELS-UHFFFAOYSA-N 276.380 3.591 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(N2CCCCCC2)cc1 845102162 ZEFXMDLHFHYLPT-AWEZNQCLSA-N 285.391 3.555 30 20 CHED COc1cccc(O)c1C=Nc1cccc(OC(F)F)c1 915978971 KRWGICPEBTXPTE-UHFFFAOYSA-N 293.269 3.753 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(CC(C)C)cc2)nn1C 840712885 IGJHDTUBKROGFE-KTKRTIGZSA-N 282.387 3.823 30 20 CHED C[C@H](C=NNc1nncc2ccccc12)c1ccccc1 915909966 XIQZYCMPVURBDE-CYBMUJFWSA-N 276.343 3.831 30 20 CHED Fc1cccc(C=NOCc2ccc(OC(F)F)cc2)c1 918733242 JLGOCMHQCWNCLE-UHFFFAOYSA-N 295.260 3.978 30 20 CHED Cc1cnc([C@@H](C)SCCc2ccc(C#N)cc2)o1 596383353 CXKRQQWCAOYUPR-GFCCVEGCSA-N 272.373 3.892 30 20 CHED C=C(C)CNC(=S)N(CC)Cc1ccc(Cl)cc1 745675244 KLUMQNWULWRUEM-UHFFFAOYSA-N 282.840 3.613 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(C(C)(C)C)ccc1OC 674975491 XXFAXDAFCFLLKK-LLVKDONJSA-N 276.380 3.689 30 20 CHED C/C(=C/c1ccco1)C(=O)N[C@@](C)(C#N)C1CCCCC1 846929641 XOMOSFOEKCBXIR-MOJYJUKOSA-N 286.375 3.662 30 20 CHED CCOc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1O 743495751 IUWJIRKLCHSTLA-ZDUSSCGKSA-N 296.370 3.513 30 20 CHED Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1C 593934294 MKIAMHSGVWCCHK-HNNXBMFYSA-N 292.382 3.992 30 20 CHED C=CCN(C(=O)N[C@H]1CCCC[C@H]1CC)C(C)C 918074384 NDHBAYBJGMTDQE-KGLIPLIRSA-N 252.402 3.561 30 20 CHED CCCCCCCCCNC(=O)N(C)C1CCC(N)CC1 841663146 SEVSTUDGGILHJA-UHFFFAOYSA-N 297.487 3.648 30 20 CHED N#Cc1ccc(C=NNc2ncc(Cl)cc2Cl)cc1 916316706 IZFDYUVYAGTOCR-UHFFFAOYSA-N 291.141 3.706 30 20 CHED C=C(C)CNC(=S)N1CCC[C@H]1c1ccc(C)cc1 911611315 CBGVQKPPBTZIKU-HNNXBMFYSA-N 274.433 3.583 30 20 CHED C[C@H](CC1CCCC1)C(=O)Oc1cccc(OCC#N)c1 841344888 BFVHXCBKSQLLJE-CYBMUJFWSA-N 287.359 3.711 30 20 CHED C[C@@H](CO)N(C)N=C1CCC[C@@H](c2ccc(Cl)cc2)C1 842539061 RJHHOELVUJBTRT-GXTWGEPZSA-N 294.826 3.666 30 20 CHED N#CCCCOc1cccc(NC(=O)C=C2CCCC2)c1 917728709 IWBIPSLFYXQTAV-UHFFFAOYSA-N 284.359 3.808 30 20 CHED N#CC1CN(C(=O)Nc2ccc3oc4ccccc4c3c2)C1 590103044 BJDPCNKUTRQMJQ-UHFFFAOYSA-N 291.310 3.573 30 20 CHED CCOc1cccc(C(=O)/C=C\c2c(C)noc2C)c1 743538254 KLODNQACLLDFMP-HJWRWDBZSA-N 271.316 3.586 30 20 CHED Cc1ccc(CN(C2CC2)[C@H](C)C#N)cc1Br 595709847 KHOXAOCIRJOBBN-LLVKDONJSA-N 293.208 3.634 30 20 CHED COc1ncccc1CON=Cc1ccc(C(C)C)cc1 842018491 ZFKUQDOQWYQEFL-UHFFFAOYSA-N 284.359 3.764 30 20 CHED CC[C@@H](C#N)C(=O)N1CC2(CCCC2)c2cccc(F)c21 593657172 ILYFPTMXCVWTEH-LBPRGKRZSA-N 286.350 3.534 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1ccc(C=NOC)cc1 748762595 LQHJAVVJFFBXHN-MRXNPFEDSA-N 290.407 3.756 30 20 CHED N#Cc1ccc(C(=O)COC(=O)CCCC2CCCC2)cc1 748303859 UTMKECAXLRHDMA-UHFFFAOYSA-N 299.370 3.645 30 20 CHED N#Cc1cccc(NN=C2CCc3c(Cl)cccc32)c1 921259034 UTOGLKRSSRFCAD-UHFFFAOYSA-N 281.746 3.974 30 20 CHED C#C[C@H](OC(=O)[C@@H](CC)OC1CCCC1)c1ccccc1 842363894 DIJHBECKHRWYGK-DLBZAZTESA-N 286.371 3.642 30 20 CHED C[C@H]1CCC[C@H](C)N(Cc2ccc(OCC#N)cc2)C1 741795027 WRYZBXVRLPRROH-GJZGRUSLSA-N 272.392 3.599 30 20 CHED C=CCCC(=NNc1ccc(CC(=O)OC)cc1)C1CC1 844606185 SKONGWUAIBWONX-UHFFFAOYSA-N 286.375 3.546 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cccc([N+](=O)[O-])c1)C2=O 921264719 XTPBWTXNHBKPQC-ZSOIEALJSA-N 279.295 3.726 30 20 CHED C=CCC1(CNC(=N)Nc2ccccc2)CCCC1 849038244 MDBSJCJJZBYNOK-UHFFFAOYSA-N 257.381 3.759 30 20 CHED C=C(CC)CNC(=S)Nc1cccc(C(F)(F)F)c1 840826820 WNBCWJAPQFBNRJ-UHFFFAOYSA-N 288.338 3.958 30 20 CHED Oc1ccc(C=NOc2ccccc2C(F)(F)F)cc1F 755815580 JFEMTSNZAFSDMJ-UHFFFAOYSA-N 299.223 3.963 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)s1)c1ccccc1 750397358 MVWGWAJBLPVNNU-CYBMUJFWSA-N 271.341 3.928 30 20 CHED CCCCCCCC(=O)[C@@H](C#N)c1nc2c(C)ccnc2[nH]1 750723262 HEBXJPVNMKZMTI-CYBMUJFWSA-N 298.390 3.803 30 20 CHED COc1cccc(NN=C2c3ccccc3C[C@H]2C)c1 751135541 YYOXOZVZZQXASX-GFCCVEGCSA-N 266.344 3.704 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCC2(C)CCC2)cc1 853647376 AJDLTXJVLXEVHD-UHFFFAOYSA-N 274.364 3.576 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1nccn1C 755561922 BYDAEKCEHXUOQF-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C#Cc1ccccc1C(C)=NNc1cccc(OC)c1 753695930 UCWRXYCKWSFVQP-UHFFFAOYSA-N 264.328 3.513 30 20 CHED CC(=NNc1cc(F)cc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1O2 853395539 AQAQGUOFRWYSAZ-HZSPNIEDSA-N 282.746 3.834 30 20 CHED CC[C@H](C)c1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 755287976 QTZUUFQJGZEVGU-LBPRGKRZSA-N 279.343 3.719 30 20 CHED C#CCCCC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 759200276 HSLYIZIKABAOBX-INIZCTEOSA-N 283.415 3.807 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1ccnc(O)c1 926590844 GVIWLMQFUQTRCY-WMLDXEAASA-N 282.387 3.625 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@H]1CC[C@@H](C)C1 759219743 SFXRAMQHGSXMMW-OLZOCXBDSA-N 289.350 3.603 30 20 CHED C/C(=C/c1ccc(C)cc1)C(=O)N1CCC[C@@H](CC#N)C1 855256424 MCCMXNYDGHBEOS-KSVUCXBSSA-N 282.387 3.551 30 20 CHED C[C@@H](Nc1c(F)c(F)nc(F)c1F)c1cccc(C#N)c1 756967716 FPINCNHQCWOQOF-SSDOTTSWSA-N 295.239 3.683 30 20 CHED CCSC1(C/N=C\c2cc3ccccc3nc2O)CC1 852997963 FYOKDDIKSQNIHQ-YVLHZVERSA-N 286.400 3.645 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@H]1CC[C@H](C)C1 759217993 BRKOVPPLSQFVRC-STQMWFEESA-N 289.350 3.603 30 20 CHED C/C=C(/C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 751352572 YGTCAHXAYMAZEG-BASWHVEKSA-N 293.326 3.650 30 20 CHED C=C(Cl)CSCC(=O)Nc1ccc(OCC)cc1 853782518 DOHVAMWHADVIEP-UHFFFAOYSA-N 285.796 3.510 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F 854482662 AMEMDFJREGKHHK-NSHDSACASA-N 299.292 3.614 30 20 CHED C#C[C@@H](CC)NC(=O)Cc1coc2ccc3ccccc3c12 754374749 QGHYKRJYTHGBSO-HNNXBMFYSA-N 291.350 3.657 30 20 CHED CCCCNN=Cc1ccc(F)c(C(F)(F)F)c1 755649515 MCIWPBKBQAWBDW-UHFFFAOYSA-N 262.250 3.568 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1CCc2cc(F)ccc21 850270824 MZEYHSCIKFEGRJ-HNNXBMFYSA-N 289.350 3.729 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1ccc(C(F)F)nc1 853349853 KAYUHQGDSKTVOE-SNVBAGLBSA-N 269.339 3.767 30 20 CHED CC[C@@]1(C)CCN(C(=O)c2ccccc2SCC#N)C1 758671350 PHRKGXDANPNNKY-INIZCTEOSA-N 288.416 3.564 30 20 CHED Cc1noc(C(C)C)c1C(=O)O[C@@H](C)CC(C)(C)C#N 851212278 IEVXVICVJOZZEV-JTQLQIEISA-N 278.352 3.592 30 20 CHED C=CCOc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 754779355 VBDGLYJYQFXHME-UHFFFAOYSA-N 289.375 3.545 30 20 CHED COc1ccc(NN=Cc2cccc(C)c2C)c([N+](=O)[O-])c1 767801480 NBHVPZXVCMGJDJ-UHFFFAOYSA-N 299.330 3.666 30 20 CHED CCCCCCCNC(=O)CCn1cnc2ccccc21 862359921 WGEVRZBRJYBXES-UHFFFAOYSA-N 287.407 3.513 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)/C=C/c1ccco1 767979361 YLMLNYNQINYUKK-MDZDMXLPSA-N 295.338 3.837 30 20 CHED C#CCOc1ccccc1-c1noc([C@H](CC)SC)n1 761994708 ALROVYSVCHSUMR-ZDUSSCGKSA-N 288.372 3.563 30 20 CHED C#C[C@@H](C)N(C)C(=O)C1(c2ccc(F)cc2)CCCCC1 767263330 JGOXEXMVPPJKOT-CQSZACIVSA-N 287.378 3.508 30 20 CHED C[C@H](Cc1cccc(F)c1)N[C@H](C)c1cccc(C#N)c1 766348761 BFBACJOQIPHAIY-ZIAGYGMSSA-N 282.362 3.979 30 20 CHED Cc1ccc(-c2ccc([C@H](O)C3CC3)cc2)cc1C#N 863729516 GCFCIWCYJCYAEW-SFHVURJKSA-N 263.340 3.977 30 20 CHED CC(C)(C)C1CCC(C=NNCC2CCOCC2)CC1 1116538755 ZGTDDPRLJABQGR-UHFFFAOYSA-N 280.456 3.841 30 20 CHED N#CCOc1cc(F)ccc1NCc1cccc2cc[nH]c12 779608567 FJQVTWQELRXSRU-UHFFFAOYSA-N 295.317 3.821 30 20 CHED COC(=O)c1coc(/C=C/C(=O)c2cc(C)c(C)cc2C)c1 774115251 NSKOKHRGBYWLKF-AATRIKPKSA-N 298.338 3.888 30 20 CHED C#CCCCCCC(=O)Nc1c(F)cc(F)cc1F 779962878 HUSORHWNZPVNMV-UHFFFAOYSA-N 269.266 3.626 30 20 CHED C[C@H](CCC#N)CN1CCCC[C@H]1[C@H](O)c1ccccc1 876663607 ZGJJFTJKIXECPA-BPQIPLTHSA-N 286.419 3.514 30 20 CHED C#CCCCCCCNc1ccc(CN2CCCC2=O)cc1 876821738 KNRQBZQZISWHGT-UHFFFAOYSA-N 298.430 3.805 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@H](O)c1ccc(Cl)cc1 776014613 ALJFLIFCUVCXQP-DOMZBBRYSA-N 295.810 3.625 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccc(-c2ccccc2)s1 1115907080 MLCGLQBWRUHVGP-LBPRGKRZSA-N 284.384 3.647 30 20 CHED CC(C)=CCOC(=O)CCCCOc1cccc(C#N)c1 775281306 RMXDDHNRKHMVCC-UHFFFAOYSA-N 287.359 3.617 30 20 CHED CCC(=NNc1cccc(C(=O)OC)c1)c1ccccc1 779826443 MXLIDXYNWMKUNG-UHFFFAOYSA-N 282.343 3.699 30 20 CHED CC(C)(CCC(=O)OCC1(C#N)CC1)c1ccccc1 775873569 HPEBOHQTABLTDB-UHFFFAOYSA-N 271.360 3.591 30 20 CHED C=CCN(C(=O)c1ccc([C@H](C)CC)cc1)C1CC1 771828194 UDBBUSSHBMIHPC-CYBMUJFWSA-N 257.377 3.991 30 20 CHED N#CCCCOC(=O)c1ccc(C(F)(F)F)cc1Cl 775107906 WJWPDBMOTCZMNI-UHFFFAOYSA-N 291.656 3.819 30 20 CHED CC(C)(C(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CC1 887700148 AENVUBFBKVEZDX-UHFFFAOYSA-N 296.414 3.700 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc3cnccc3c2)c1 782204595 CEZAJIPSQMCHNS-UHFFFAOYSA-N 297.308 3.637 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)n(C)n1 789159876 QYFFJUVSCUNEBN-XQRVVYSFSA-N 295.169 3.931 30 20 CHED C=C(C)CCC(=O)Nc1cccc(OC(F)F)c1 1120676153 TZVGVYGDKZGKCR-UHFFFAOYSA-N 255.264 3.583 30 20 CHED Cc1cccc([C@H](C)OC(=O)c2ccccc2CC#N)c1 782604553 KYWFGZOOWWXHPS-AWEZNQCLSA-N 279.339 3.979 30 20 CHED CCC(=NOC[C@@H]1CCOC1)c1ccc(Cl)s1 788032303 QGQQAXCMKGVGDG-SECBINFHSA-N 273.785 3.569 30 20 CHED C=C(CC)Cn1cc(-c2nc(C3CC3)sc2C)nn1 887390696 WJSHUFGJUAQPOD-UHFFFAOYSA-N 274.393 3.554 30 20 CHED O=C1/C(=C/c2cscc2Cl)Cc2cc(O)ccc21 780188645 PGEGVLMZSNVSMG-RUDMXATFSA-N 276.744 3.930 30 20 CHED CCN(CC)c1ccc(/C=C\C(=O)c2cncs2)cc1 787169023 KPXXBQMMSQJXTA-YFHOEESVSA-N 286.400 3.885 30 20 CHED C#CCCCCC(=O)NC[C@H](Cc1ccccc1)C(C)C 787366890 IHJZCPHHANNWJY-SFHVURJKSA-N 285.431 3.811 30 20 CHED CCCCCCCCC(=O)N1CCc2c(ncn2CC)C1 886626015 KPGAKCSYRDFOMI-UHFFFAOYSA-N 291.439 3.538 30 20 CHED CCC(=NOc1ccccc1C(F)(F)F)c1cn[nH]c1 789033309 HGJNEDQZYBNDJV-UHFFFAOYSA-N 283.253 3.622 30 20 CHED C=CCCC[C@@H](NC1CCOCC1)c1ccccc1 883174406 KFGVBBZRWXVPLR-QGZVFWFLSA-N 259.393 3.853 30 20 CHED C=C(C)[C@H](CC(=O)OCc1sccc1Cl)OCC 785915244 YUWCCMIQGTXZNQ-NSHDSACASA-N 288.796 3.816 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)O[C@H](C)C#N)c1C 781420490 ABFVENVDSHGXLX-SNVBAGLBSA-N 269.300 3.632 30 20 CHED C[C@H]1C(=O)CC[C@@H](C(=O)OCCCC(C)(C)C#N)C1(C)C 784844716 KEPOSQIKWIJJFG-STQMWFEESA-N 293.407 3.501 30 20 CHED C=C(CC)C(=O)N[C@H](CC)c1ccccc1OCC 1123547576 YETKRYIISUMNGO-CQSZACIVSA-N 261.365 3.619 30 20 CHED C[C@@H](OC(=O)[C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 781698690 CBEWEFWPKJQVPR-DOMZBBRYSA-N 271.360 3.989 30 20 CHED CCC(C[C@@H](C)CC)=NNCCC(=O)OC(C)(C)C 783863990 QLWNVJVFXOEGPE-LBPRGKRZSA-N 270.417 3.510 30 20 CHED c1ccc2c(c1)COCC2=NNc1nc2ccccc2s1 782097565 KXKGZAYFIWTQQS-UHFFFAOYSA-N 295.367 3.643 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)c1c(C)oc(C)c1C 786005647 JTMRDQJGWCLFTG-UHFFFAOYSA-N 299.345 3.620 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1cc(Cl)cs1 782355096 SANBAVBRENWTKD-LFYBBSHMSA-N 286.743 3.766 30 20 CHED Cc1cccc(C(=O)Nc2cc(C#N)c(F)cc2F)c1F 1132689736 OFCHKMIORBRYHJ-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1ccc(C(=O)/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1 899928971 XKILPBLCLFDKFR-CMDGGOBGSA-N 293.366 3.989 30 20 CHED N#CCCN(Cc1ccco1)C[C@@H]1CCc2ccccc21 780291838 ASMRZOICHKYRON-INIZCTEOSA-N 280.371 3.725 30 20 CHED C=C(Cl)CNC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 792597999 DEKWEAKXVDURKS-DGCLKSJQSA-N 277.795 3.845 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cnn(C2CCC2)c1 899343766 CSRVZXYTRBPPIN-BQYQJAHWSA-N 296.370 3.821 30 20 CHED CC/C=C/CCOC(=O)C[C@@H](CC#N)c1ccccc1 795981205 MIPRXVFDFSKWNY-QDLOVBKTSA-N 271.360 3.973 30 20 CHED CC1(C)CCC(=NNc2ncncc2F)c2ccccc21 793215334 YHKZAKYXINTCRQ-UHFFFAOYSA-N 284.338 3.503 30 20 CHED C[C@@H](COC(=O)c1ccc(C#N)o1)c1cccc(Cl)c1 796149128 ZAEWAUBFPDMBQI-JTQLQIEISA-N 289.718 3.765 30 20 CHED C=CCOc1ccc(OC(=O)CCCOC(C)(C)C)cc1 796774351 DMVARSASCKFOMG-UHFFFAOYSA-N 292.375 3.752 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNc1nc(-c2ccncc2)no1 797402721 MAOLINJUBIJOEJ-NEPJUHHUSA-N 299.378 3.746 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccc(C(F)F)cc1 794939303 VELTWAMUDYJOPH-YVMONPNESA-N 276.286 3.562 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc2cc(C)c(C)cc2o1 791201891 QPSPKCIUWWMELW-AWEZNQCLSA-N 269.344 3.581 30 20 CHED COc1ccc2ccc(OC(=O)c3ccc(C#N)o3)cc2c1 796766696 ZAUJBCCUYZSZIA-UHFFFAOYSA-N 293.278 3.532 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(C#N)cc1Cl 796473584 KKLJMMAFXCWBQB-UHFFFAOYSA-N 277.751 3.857 30 20 CHED CCC(Cc1cccs1)=NNc1ncccc1F 794990693 RJZJRMDAIBNGBM-UHFFFAOYSA-N 263.341 3.703 30 20 CHED CC(C)C[C@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 1307000457 ZEISJSIWABCKIV-SNVBAGLBSA-N 283.828 3.931 30 20 CHED CC[C@H](CNc1cc(C)c(C#N)cn1)Oc1cccc(C)c1 1162185526 YTSFAAOYOPCHLF-MRXNPFEDSA-N 295.386 3.840 30 20 CHED Cc1ccc(C=NNCc2ccc(F)cc2)c(C)c1 1319195183 QCVXLNGALGVTNC-UHFFFAOYSA-N 256.324 3.566 30 20 CHED Cc1cc(NC(=O)N(C)Cc2cccc(C#N)c2)cs1 1311050847 RNVQSRTZMFNHSS-UHFFFAOYSA-N 285.372 3.592 30 20 CHED CC[C@H](C)[C@@H](NC(=O)CC#Cc1ccccc1)C(F)(F)F 1320813001 GJLZVJOPTHKOBY-SWLSCSKDSA-N 297.320 3.521 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)c1cc(C#N)oc1C 1325084781 KEYOVYRBBXFVAF-UHFFFAOYSA-N 288.734 3.982 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(c3nc4ccccc4o3)CC2)C1 1254653265 KWUIPPCSHNNOCO-ZFWWWQNUSA-N 295.386 3.699 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(Cl)c(Cl)[nH]1 194518422 FOJBLIRJDRCNCD-UHFFFAOYSA-N 294.141 3.754 30 20 CHED N#CCCCOc1cccc(NCC2CC=CC2)c1 596029857 CKDCSYUUTJLATL-UHFFFAOYSA-N 256.349 3.747 30 20 CHED CC[C@H](CNc1nccc(C)c1C#N)Oc1ccccc1C 1185536547 ZUQMDWBNZFKREH-OAHLLOKOSA-N 295.386 3.840 30 20 CHED COc1cc(OCc2ccc(Cl)c(F)c2)ccc1C#N 1189225027 IZAQKNNAHNBBTI-UHFFFAOYSA-N 291.709 3.938 30 20 CHED C=C[C@H](COC)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 1256315463 HRANCQUHBQLQIB-WHOHXGKFSA-N 285.840 3.684 30 20 CHED Cc1cc(C#N)ccc1NCCSCC(F)(F)F 698857172 ALJMKYOVAJKKDC-UHFFFAOYSA-N 274.311 3.574 30 20 CHED Cc1cc(F)cc(NCc2cc(C#N)ccc2F)c1 91513782 XYUVENMVOJYPBU-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Cc1ccc(O)c(Cl)c1 1337551492 QIVZERNTNMIFOR-CYBMUJFWSA-N 293.794 3.545 30 20 CHED C#CCCCC(=O)N1CCC(c2cc(C)ccc2C)CC1 1335217447 XDAYDBPBOQVASF-UHFFFAOYSA-N 283.415 3.813 30 20 CHED C[C@@H](OC1CCCCC1)C(=O)O[C@@H](C#N)C1CCCCC1 1343967546 NDJHBVMDMZMOQO-CJNGLKHVSA-N 293.407 3.740 30 20 CHED C=C(CC)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 1263750991 OMADBRKZGWTYNI-NHYWBVRUSA-N 261.340 3.701 30 20 CHED Cc1cccc(C2(C(=O)O[C@@H]3CC[C@@H](C#N)C3)CCC2)c1 1344605280 PYCPMMHRYITBOZ-GDBMZVCRSA-N 283.371 3.652 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1C 1359141844 TYLHVRMJPJKSCX-JQWIXIFHSA-N 282.819 3.533 30 20 CHED N#C[C@H](C(=O)/C(F)=C/C1CCCCC1)c1cccc(F)n1 1357664570 WGBUXHXVYXTKSI-VWLVURMCSA-N 290.313 3.831 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1cccc(C#N)c1 1539601998 GTVITOWRTKIBMA-QGZVFWFLSA-N 276.339 3.665 30 20 CHED CCc1ccc2c(c1)CCN(Cc1ccc(C#N)c(C)c1)C2 1462670090 PNXLKFSQYMABGS-UHFFFAOYSA-N 290.410 3.987 30 20 CHED Cc1ccc2c(c1)O[C@@H](C)CN2Cc1ccc(F)c(C#N)c1 1641984761 PBQQEEHAVOZTDD-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED C#C[C@H](NCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1 1588378519 ZIXYTUOOWIGIBW-INIZCTEOSA-N 299.757 3.502 30 20 CHED C[C@@H](CCC#N)CN[C@@]1(c2ccccc2)CC1(C)C 1658631945 QTWOCSIYVUIPHX-WMLDXEAASA-N 256.393 3.841 30 20 CHED CC(C)C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)O 1591191393 ZCBLZICPVRTGFB-GFCCVEGCSA-N 283.780 3.803 30 20 CHED C=C(Cl)CNC(=O)NC[C@H](Cc1ccccc1)C(C)C 1671826298 GVNGDFXQIUCGCI-HNNXBMFYSA-N 294.826 3.553 30 20 CHED C=C(Cl)Cn1c(N2CC[C@@H](C)[C@H]2C)nnc1C(C)(C)C 1760386787 JQHQUWGSLVTCGU-ZYHUDNBSSA-N 296.846 3.563 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 1672080144 KDUHDFJZXQAIMI-CQSZACIVSA-N 289.354 3.788 30 20 CHED C=CCCCCN1CCC[C@H]([C@@]23CC[C@@H](C2)[C@@H]3C(=O)O)C1 1776174836 HEHBKWLSIJZLMW-LISAXSMJSA-N 291.435 3.556 30 20 CHED CCC(=NNc1ccc(C(=O)O)c(F)c1)[C@H]1CC1(C)C 1776075541 NNBRVPOGHLTUJT-LLVKDONJSA-N 278.327 3.748 30 20 CHED C[C@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)[C@H]1C 1776062882 PJCJUKKZEYEYIE-UWVGGRQHSA-N 278.327 3.748 30 20 CHED COc1ccc2oc(/C=C/C(=O)c3cncc(F)c3)cc2c1 160520593 VZZBBOADLXKVNA-DUXPYHPUSA-N 297.285 3.872 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](c2ccccc2)C1 165472377 UDVOWYMNNHQFIY-IBGZPJMESA-N 276.383 3.856 30 20 CHED C#Cc1ccc(CN[C@@H]2CCCc3sccc32)cc1 809641596 MJOGRCHITOOSOI-MRXNPFEDSA-N 267.397 3.897 30 20 CHED CCCCCCCC(=O)Nc1ccc(CCO)cc1 103941542 OOARBQCBKVMWHJ-UHFFFAOYSA-N 263.381 3.520 30 20 CHED CCCCCCCCCCCC(=O)N1CC[C@@](C)(O)C1 225158846 PCNWCJXDRKVSHI-QGZVFWFLSA-N 283.456 3.891 30 20 CHED CC(C)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 112675833 XZIKTDJZAHXSCW-IRXDYDNUSA-N 256.393 3.863 30 20 CHED N#Cc1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)c(Cl)c1 226345656 ZPDSJRXDYRIHPD-GHMZBOCLSA-N 274.751 3.586 30 20 CHED CCCCCCCCCc1nc([C@@H]2CCCN2)no1 115065744 MISSBWUDECQGGB-ZDUSSCGKSA-N 265.401 3.787 30 20 CHED COc1cc(C#N)cc(OCCCCC(C)(C)C#N)c1 234818532 FSDFQTMESJEEQF-UHFFFAOYSA-N 272.348 3.666 30 20 CHED C[C@@H](NCc1ccc(F)cc1F)c1ccc(C#N)cc1 35256324 FSCFFWSREGPGFZ-LLVKDONJSA-N 272.298 3.687 30 20 CHED CC(C)(C#N)CN[C@H]1CCCC[C@@H]1c1ccccc1 168931244 NENMSPDKJXZCTA-CVEARBPZSA-N 256.393 3.852 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCC1 45603632 VGALBPQVHZFHQE-UHFFFAOYSA-N 269.797 3.716 30 20 CHED CC[C@]1(C)CCCN(C(=O)Nc2ccc(C#N)cc2)C1 174310458 DCEGAIHWTOAPNM-MRXNPFEDSA-N 271.364 3.602 30 20 CHED C[C@H](Cc1ccsc1)Nc1ccc([N+](=O)[O-])cc1C#N 48553445 CQAILKSCSJKALX-SNVBAGLBSA-N 287.344 3.571 30 20 CHED C#CCCCCC(=O)Nc1cccc(Cl)c1F 179653324 DTNUYIQKLPPOCW-UHFFFAOYSA-N 253.704 3.611 30 20 CHED Cc1cc(OCc2ccc(C#N)c(F)c2)ccc1F 404097804 CNEGVHKXUYXDKC-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=C(Br)CNCc1ccc(CCC)cc1 309037113 IUCKNAXXOXLNJO-UHFFFAOYSA-N 268.198 3.637 30 20 CHED N#CCC1(CNC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 404233668 SDEDYDBCABYBTG-UHFFFAOYSA-N 298.173 3.809 30 20 CHED CC[C@@H]1CCCN(c2nc(C)cc(C)c2C#N)CC1 79054104 HADAWSUKHCMJMV-CQSZACIVSA-N 257.381 3.587 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@H](C(C)C)CC1 79343125 IYYWULACMWQKDB-AWEZNQCLSA-N 264.413 3.601 30 20 CHED C[C@@H](C1CCC1)N(C)Cc1ccc(C#N)cc1Cl 325636185 YRZOHBQPZSVYHO-NSHDSACASA-N 262.784 3.832 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC)cc1Cl 466400569 VTMMKCBBKMQOKS-LBPRGKRZSA-N 253.773 3.793 30 20 CHED C[C@@H]1CCCC[C@@H]1CNCCc1cccc(C#N)c1 466421318 DBWDVWNBKYXRAY-RHSMWYFYSA-N 256.393 3.517 30 20 CHED CC[C@H](C)C[C@H](CC)NCCc1cccc(C#N)c1 467429826 NQCVMUWSXCYETE-YOEHRIQHSA-N 258.409 3.905 30 20 CHED CCCCOC1CCN(CCCCC(C)(C)C#N)CC1 336827623 CRFAEKBCGYHNGW-UHFFFAOYSA-N 280.456 3.988 30 20 CHED N#Cc1ccc(COC(=O)c2ccc3ncsc3c2)cc1 3479264 YQKDUHVZJYHVFV-UHFFFAOYSA-N 294.335 3.525 30 20 CHED N#Cc1cccc(COc2ccc(Cl)cc2[N+](=O)[O-])c1 14344191 FKHHJTBBJLTXFA-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1ccc(OCC#N)cc1 35257040 JTSWQSRSCBWQNQ-RDJZCZTQSA-N 272.392 3.647 30 20 CHED CC(C)c1cccc(NC[C@H](O)c2ccc(C#N)cc2)c1 37884628 SVCSVKMWTCDKRE-SFHVURJKSA-N 280.371 3.827 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 44819205 DDWDPHOMVYHYEB-STQMWFEESA-N 296.292 3.865 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc(C(C)=O)cc1 45068504 QLFNUISGCJYBMT-UHFFFAOYSA-N 295.338 3.706 30 20 CHED C=C(C)CSc1nnc(C2CC2)n1Cc1ccccc1 47822407 UTGXJNGLIYOOHI-UHFFFAOYSA-N 285.416 3.872 30 20 CHED CC(C)c1ccsc1C(=O)NCc1ccc(C#N)cc1 48891214 SIRWHNWLJHHWOF-UHFFFAOYSA-N 284.384 3.673 30 20 CHED Cc1ccc(C#N)c(SCc2ccccc2C)n1 54964069 HSILFHVPUYXXRZ-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H](c2ccccc2)O1 63254963 YSGUQVBMFBTKAU-FZKQIMNGSA-N 296.345 3.664 30 20 CHED N#Cc1cc(NCc2ccccc2)nc2ccccc12 68769789 LNGCYUKHNSFKPU-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CCO1 70350660 KRAGFIPPULHMSW-KOLCDFICSA-N 284.281 3.556 30 20 CHED CC[C@H](CNCc1ccc(C#N)cc1)c1ccccc1 70755012 QLJXPQZWYSJSKW-QGZVFWFLSA-N 264.372 3.842 30 20 CHED Cc1cccc([C@H](C)CNC(=O)c2cccc(CC#N)c2)c1 78169481 VERVCOXHTYIZOH-OAHLLOKOSA-N 292.382 3.595 30 20 CHED Cc1nccn1CCCCNc1ccc(Cl)cc1C#N 78336157 ZUAQYNKPUQJKEM-UHFFFAOYSA-N 288.782 3.609 30 20 CHED CC(C)[C@H](C)S[C@@H](C)C(=O)Nc1ccccc1C#N 79080768 QXPLCNZDXBGMAA-RYUDHWBXSA-N 276.405 3.663 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1cc(C)cc(C)c1 84076589 OAWWUSXMDDLDGS-UHFFFAOYSA-N 284.384 3.903 30 20 CHED C[C@H]1CCC[C@H](C)N(c2snc(Cl)c2C#N)C1 92657261 DFEARIOSTVAJMU-IUCAKERBSA-N 269.801 3.683 30 20 CHED N#Cc1ccc(NCCC2=CCCCC2)cc1[N+](=O)[O-] 94591703 MKCMSADGYABKMQ-UHFFFAOYSA-N 271.320 3.769 30 20 CHED CCCCCCCC(=O)Nc1ccccc1C(=O)OC 100168571 MXKONGOHNXGMFG-UHFFFAOYSA-N 277.364 3.772 30 20 CHED C=CCCC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 102246939 UNBIYGCXGUXMLX-AWEZNQCLSA-N 295.329 3.748 30 20 CHED CCOc1ccccc1C/N=C(/N)Nc1ccc(CC)cc1 104161631 GPIIKFGCYBZRPZ-UHFFFAOYSA-N 297.402 3.575 30 20 CHED CN(Cc1ccccc1Cl)c1ccc(Cl)c(C#N)n1 111104384 WNFGKIAGBRQBEH-UHFFFAOYSA-N 292.169 3.896 30 20 CHED CCOc1ccc(CNc2ccc(C#N)cc2F)cc1 112012495 MZILPVFEXWFLHZ-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 117481104 SNDWYHRFFVRFLF-WMLDXEAASA-N 299.418 3.839 30 20 CHED N#Cc1ccc(CNc2ccc3ncsc3c2)s1 120689478 WUVHXJDITOUVBN-UHFFFAOYSA-N 271.370 3.842 30 20 CHED C=C[C@H](CC(=O)N1CCSC(C)(C)C1)c1ccccc1 123171908 SCJQZAOPVRGTCX-CQSZACIVSA-N 289.444 3.700 30 20 CHED C=C(Cl)CSc1ccc(C(C)=O)cc1OC 123309863 SLKDGMSRSDKBGJ-UHFFFAOYSA-N 256.754 3.742 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H](CC)c2ccncc2)c1 125134148 KYGGHPHUGZIJCT-QUYZQLMHSA-N 284.359 3.756 30 20 CHED CCC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 125607916 XRCOALNPHSNYHP-ZBFHGGJFSA-N 299.418 3.841 30 20 CHED C[C@@H](N[C@H](C)c1nc(C(C)(C)C)no1)c1ccc(C#N)cc1 127506532 XGQYOWJSCZYPRN-VXGBXAGGSA-N 298.390 3.651 30 20 CHED COc1ccc(C#N)cc1CN[C@@H](C)c1cc(C)oc1C 130290923 OIPKWZXRTOTBEI-LBPRGKRZSA-N 284.359 3.628 30 20 CHED COC(=O)c1cc(/C=C2/C[C@@H](C)c3ccccc3C2=O)c[nH]1 131151688 XMRAHEBOLOEERO-JYVXZMADSA-N 295.338 3.575 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1csc(CC)n1 132687409 MXOGAXDOBVOCJX-NSHDSACASA-N 278.421 3.651 30 20 CHED N#Cc1cc(Br)ccc1N[C@H]1CCCSC1 132700231 QQQCQJXVEGRAIY-NSHDSACASA-N 297.221 3.628 30 20 CHED CCN(C(=O)CCc1ccccc1C)c1ccc(C#N)cc1 152137261 QLAPHEMIGQYUGB-UHFFFAOYSA-N 292.382 3.852 30 20 CHED Cc1nc(C)c(C(=O)N[C@H](CCC#N)c2ccccc2)s1 153213420 HERMKNYRCRRQPG-CQSZACIVSA-N 299.399 3.535 30 20 CHED C[C@@H](Nc1nnc(C(F)(F)F)s1)c1ccc(C#N)cc1 153621657 LYULVQWHROUMSS-SSDOTTSWSA-N 298.293 3.602 30 20 CHED Cc1cccc(C(=O)N(CCC#N)CCC(C)C)c1F 154953053 OOZHVJBMUGEDCT-UHFFFAOYSA-N 276.355 3.536 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(C)cc1C 155132564 STNQQKOONJQCTO-HNNXBMFYSA-N 274.408 3.528 30 20 CHED C=C[C@H](C)NC(=O)C1(c2ccc(OC)cc2)CCCCC1 155858927 SRSIAWKHBBFYHP-AWEZNQCLSA-N 287.403 3.588 30 20 CHED CC(C)[C@@H](C)CC(=O)N(C)c1cc(Cl)ccc1C#N 156867721 XGBKFLHROXIPKI-NSHDSACASA-N 278.783 3.857 30 20 CHED C=C(Cl)COc1ccc(OC)cc1Br 156874622 PRSNORAKPQWUQO-UHFFFAOYSA-N 277.545 3.589 30 20 CHED C[C@H](CC(=O)NC(C)(C)C#N)c1cccc(C(F)(F)F)c1 159521667 LFLISXASGIONHG-SNVBAGLBSA-N 298.308 3.617 30 20 CHED N#Cc1cc(F)c(N2CC=C(C(F)(F)F)CC2)c(F)c1 160255495 KGOKPUBTLWVGJT-UHFFFAOYSA-N 288.219 3.535 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1sccc1C#N 161128692 ADEJIEAWGKUEAO-AAEUAGOBSA-N 276.405 3.661 30 20 CHED Cc1ccc(C#N)c(N2CCSC3(CCCCC3)C2)n1 161754631 JQMWFOBGTJGTRG-UHFFFAOYSA-N 287.432 3.518 30 20 CHED CC[C@H](NCc1ccccc1C#N)c1nc(C)cs1 162026852 GCTDHULCCGUIDW-AWEZNQCLSA-N 271.389 3.564 30 20 CHED C=CCOc1cccc(CNc2ccc(C#N)cc2)c1 162047782 LKPKBHCIWRCINT-UHFFFAOYSA-N 264.328 3.735 30 20 CHED C=CCCC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 172795055 AXFMRKAUMZOVST-DOMZBBRYSA-N 261.340 3.701 30 20 CHED N#CCCN(Cc1cccc(C(F)(F)F)c1)CC1CC1 174693967 MKAYKRWOQWLSGZ-UHFFFAOYSA-N 282.309 3.831 30 20 CHED Cc1ccsc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 175781698 DBVMWMAYHRRWDQ-NSHDSACASA-N 271.341 3.846 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)CCC1CCC1 176084335 NOGATZFLWRBVCM-UHFFFAOYSA-N 287.403 3.790 30 20 CHED CC(C)(C#N)CCCN1CCS[C@H]2CCCC[C@@H]21 177193057 BUBJUSSMUZRYLX-KBPBESRZSA-N 266.454 3.676 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CSc2ccccc21 178383380 QUPNTSVERGYETD-AWEZNQCLSA-N 294.379 3.695 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(CC(C)C)C1CC1 178562248 BBQGWGHGMAFOFX-UHFFFAOYSA-N 271.364 3.519 30 20 CHED N#CCN(C(=O)c1ccc(F)c(Cl)c1)c1ccccc1 179041829 ULBIBNDLUYJVFH-UHFFFAOYSA-N 288.709 3.649 30 20 CHED Fc1ccc(C#CCNC2(c3ccccc3F)CC2)cc1 179646310 JITHSJFEYAUHLB-UHFFFAOYSA-N 283.321 3.595 30 20 CHED CCOc1cccc([C@@H](C)NCc2ccc(F)cc2C#N)c1 180712451 IKTWHCLRUGTURM-CYBMUJFWSA-N 298.361 3.947 30 20 CHED C[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1 181355405 OXGFESQAEMTZEP-AWEZNQCLSA-N 253.320 3.528 30 20 CHED C[C@H](NCc1ccc(F)cc1C#N)c1ccc(F)cc1F 181588521 VDVNNCFNAPNZOD-JTQLQIEISA-N 290.288 3.826 30 20 CHED C#CCOc1ccc([C@H](C)Nc2ccc(C)nc2)cc1 182911449 ATWKSJLIAYYHPB-AWEZNQCLSA-N 266.344 3.575 30 20 CHED C#CCC(C)(C)C(=O)N(CC)Cc1ccc(Cl)s1 185007606 VWUIIAXIIGIXHS-UHFFFAOYSA-N 283.824 3.800 30 20 CHED COc1ccc(OC(C)C)c(N[C@H]2CCC[C@H](C#N)C2)c1 185746514 LFPHQDPICZWHFG-KBPBESRZSA-N 288.391 3.977 30 20 CHED N#CCOc1ccccc1C(=O)NCCC1=CCCCCC1 185994933 VBPCCIQNBFVYQN-UHFFFAOYSA-N 298.386 3.599 30 20 CHED C[C@H](NC(=O)CC#N)c1ccc(Cl)c2ccccc12 187505259 NGJSXRJFCVTEFK-JTQLQIEISA-N 272.735 3.584 30 20 CHED C=C(C)[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(F)c(F)c1 187769456 ZUOUTHKKPHWCQN-MLGOLLRUSA-N 289.329 3.615 30 20 CHED C=CCC1(C(=O)Nc2ccc3nc(S)oc3c2)CCC1 189448223 VBDZMMAIWPEEDF-UHFFFAOYSA-N 288.372 3.801 30 20 CHED CC[C@@H](C#N)Nc1cc(Cl)c(Cl)cc1OC 190342606 KAUQVUUURCEHOO-ZETCQYMHSA-N 259.136 3.716 30 20 CHED C=CC[C@H](C(=O)NCC(C)(C)CC)c1ccccc1 190891224 MPDGBKGWIVTRSL-HNNXBMFYSA-N 259.393 3.899 30 20 CHED C#CCCCC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 192356843 ISWMENBZKGLQPP-QGZVFWFLSA-N 271.404 3.578 30 20 CHED C=C(C)CN1C(=O)/C(=C/c2cccc(C)c2)SC1=S 192692337 UHVLBZMYJGCLCX-JYRVWZFOSA-N 289.425 3.772 30 20 CHED O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccncc1 192762126 MFSHDHZMLZUNPR-DUXPYHPUSA-N 288.690 3.539 30 20 CHED CC(C)(C#N)OC(=O)c1ccc(-c2ccccc2F)o1 194500755 LZTXEYZNBMSNSC-UHFFFAOYSA-N 273.263 3.545 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccc(OC)c1F)C2 195502997 FPIKEBXGNGHAOD-UKTHLTGXSA-N 298.313 3.665 30 20 CHED COc1ccc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@@H]2C)cc1 213219686 FYCKSILJZIAITB-QQMDNXKGSA-N 298.313 3.923 30 20 CHED CCOc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1 215322696 CVGGGFZJLAZWEL-GHXNOFRVSA-N 292.338 3.609 30 20 CHED CCCCN(CC)c1ccc(C#N)c(Br)c1 228174802 GDEQTMWPLOZDGN-UHFFFAOYSA-N 281.197 3.947 30 20 CHED N#Cc1cc(CN2CC[C@@H]3CCCC[C@@H]3C2)ccc1F 229747792 IQNDKLGRLVZFBB-LSDHHAIUSA-N 272.367 3.709 30 20 CHED COc1cc(CN[C@@H]2CCCC(C)(C)C2)ccc1C#N 234940952 ZOFWKQSYUPQPDV-OAHLLOKOSA-N 272.392 3.625 30 20 CHED CC(C)CNCc1cccc(OCc2cccc(C#N)c2)c1 236579374 LHPBDHPQZBZRBG-UHFFFAOYSA-N 294.398 3.883 30 20 CHED C#CCCOc1ccc(CNC[C@@H]2Cc3ccccc32)cc1 236685339 STYRTALVSDDNRR-SFHVURJKSA-N 291.394 3.518 30 20 CHED C[C@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCC#N)cc1 246345623 MLVCCZGKHFWGOK-NXNVCVFFSA-N 284.403 3.676 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1ccc(OC(C)C)cc1 255380162 RKXKKPSFJZIJIK-FLIBITNWSA-N 298.386 3.666 30 20 CHED Oc1ccc2ccccc2c1/C=N\CCc1ccccn1 255391727 MDICFRMMPBTRMP-UYRXBGFRSA-N 276.339 3.602 30 20 CHED N#CCCCCNCc1ccc(-c2ccccc2F)o1 264040179 IEXCQYWTHXTJOM-UHFFFAOYSA-N 272.323 3.869 30 20 CHED C=CCN(Cc1ccccc1)Cc1nccn1C(C)C 264558229 UEUMVGBYTVPGAD-UHFFFAOYSA-N 269.392 3.652 30 20 CHED CC[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 267504716 HBRSXYVSFBHADA-DZGCQCFKSA-N 272.392 3.625 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)cc1F 268887287 OFLPJSBBHMCMQU-SFHVURJKSA-N 280.346 3.783 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ncccc1CC 270949693 LSPIHEYMFRGPAO-UHFFFAOYSA-N 294.398 3.515 30 20 CHED COCC[C@H](Nc1cccc(F)c1C#N)c1ccc(C)o1 272192491 LBUCTAKSNHBICZ-HNNXBMFYSA-N 288.322 3.789 30 20 CHED N#CCCCNCc1cccc(OCc2ccc(F)cc2)c1 273039133 IALGUYIRLWGNPF-UHFFFAOYSA-N 298.361 3.798 30 20 CHED N#CCCN1CCC[C@@H]1c1ccc(Br)c(F)c1 280661375 DWKPYHYXVOYGTH-CYBMUJFWSA-N 297.171 3.639 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1ccc2ccccc2c1 285082670 SAUAFQXHZUQYJT-SFHVURJKSA-N 280.371 3.738 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc2[nH]c(C)cc2c1 288697122 RJZJBTLCYQBGIG-UHFFFAOYSA-N 285.391 3.584 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@H](c2ccncc2)C1 289251143 CJEQECFMYRPUTP-MRXNPFEDSA-N 271.408 3.591 30 20 CHED N#CCCCC(=O)NCC1(c2cccs2)CCCCC1 291818284 AEHNQGREOUBGQX-UHFFFAOYSA-N 290.432 3.760 30 20 CHED CCc1ccc(C2=CCN(C(=O)CCCC#N)CC2)cc1 291985084 VENCYHSDYRSUGL-UHFFFAOYSA-N 282.387 3.559 30 20 CHED C=CCN(CCC#N)Cc1csc(-c2cccs2)n1 292113699 HHHFCCMDFUYNDV-UHFFFAOYSA-N 289.429 3.773 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1cc2ccccc2o1 292903309 XPWCHPMOTRNADR-JTQLQIEISA-N 279.286 3.821 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N(CCC#N)Cc1ccco1 294379882 BUOAOSKMOLSTNC-GDBMZVCRSA-N 288.391 3.738 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cc(C)c(C)cc1Cl 297458311 QWCPKXSLJHONJW-UHFFFAOYSA-N 291.782 3.890 30 20 CHED N#Cc1ccccc1Oc1ccc(Nc2ncccn2)cc1 301172722 KUMVYMVKRYXJQX-UHFFFAOYSA-N 288.310 3.884 30 20 CHED N#Cc1ccc(NCCCOC2CCCC2)cc1Cl 301284983 YWTNIGVCSARLCI-UHFFFAOYSA-N 278.783 3.973 30 20 CHED C=CCC[C@H](Nc1ncc(C)cn1)c1ccccc1 301829245 GSKICXZPGKLWTE-HNNXBMFYSA-N 253.349 3.904 30 20 CHED N#Cc1cc(Br)ccc1N1CCC2(CCC2)C1 302104665 WXERHWDTLYILNI-UHFFFAOYSA-N 291.192 3.701 30 20 CHED CCCCCC/N=C(/N)Nc1ccc(OC(C)C)cc1 303712249 PVJNWFUDHCCXKG-UHFFFAOYSA-N 277.412 3.781 30 20 CHED CCc1ccc(C(=O)COc2cc(F)cc(C#N)c2)cc1 313851949 SNPHIPCWWOEDLY-UHFFFAOYSA-N 283.302 3.521 30 20 CHED CO[C@@H]1CCCC[C@H]1C(O)=Nc1scnc1C1CC1 328980606 XWVGGEFMSLKQDD-GHMZBOCLSA-N 280.393 3.814 30 20 CHED C[C@H](/C(O)=N/[C@H]1CCSc2ccccc21)c1cncnc1 330237998 ASKAXPPLRWAURY-FZMZJTMJSA-N 299.399 3.774 30 20 CHED C/N=C(/O)c1ccc(OC)c(NC[C@@H]2CCCC[C@@H]2C)c1 330791638 BJHDBEWMGMNMMQ-JSGCOSHPSA-N 290.407 3.868 30 20 CHED Cc1cc([N+](=O)[O-])c(C)cc1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331046361 GDGGZYNPBBCOQT-BXKDBHETSA-N 291.351 3.726 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1(C(F)(F)F)CCC1 334565920 ZHTKJAOMFXYXBY-UHFFFAOYSA-N 282.265 3.538 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CCCC[C@H]1C 334573864 WPRXHFYXPHNWAX-IAQYHMDHSA-N 274.364 3.501 30 20 CHED CN(C(=O)c1ccc(CC#N)cc1)C1CCCCCC1 334870051 CYGZDFKALFAAFE-UHFFFAOYSA-N 270.376 3.547 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1C#N 334958673 XWMCFYDIIIOCQV-UHFFFAOYSA-N 297.264 3.620 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCCc3cc(N)ccc32)CC1 335480232 MIIVGIREFVINLX-IIIMJFFVSA-N 283.419 3.708 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCC(C)(C)CC1 337953543 MBZXJKAYYMSGNR-UHFFFAOYSA-N 270.376 3.519 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCC2(CCCC2)C1 338118889 AHPLCRQDCYNAIB-UHFFFAOYSA-N 282.387 3.663 30 20 CHED CCN(CC)CCCC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 339082048 PAZRPMMYTLZJNC-QZTJIDSGSA-N 291.483 3.513 30 20 CHED C=C(C)[C@@H](CC(=O)N1C[C@@H](C)Cc2ccccc21)OCC 339352861 QQFCYIKTOMNUQA-WMLDXEAASA-N 287.403 3.583 30 20 CHED CCOCc1ccc(NCc2ccc(OC)c(C#N)c2)cc1 340125640 VGOMVMBVTCYMPO-UHFFFAOYSA-N 296.370 3.715 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc(SC2CC2)cc1 341077054 XPPVXADXGWYHFB-INIZCTEOSA-N 288.416 3.609 30 20 CHED CC(C)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 341869445 AJTAZFPLVKWDCW-SUMWQHHRSA-N 256.393 3.960 30 20 CHED N#Cc1ccnc(NCCc2cccc(F)c2F)c1Cl 342167218 RWPHPOZHBUIPFG-UHFFFAOYSA-N 293.704 3.539 30 20 CHED N#Cc1ccnc(N2CC=C(c3ccccc3Cl)CC2)c1 342561268 VRHHKAOMTLEOFX-UHFFFAOYSA-N 295.773 3.900 30 20 CHED N#Cc1ccnc(N[C@H]2C[C@@H]2c2ccc(Cl)cc2)c1 343044273 HGQHTBYRJTZNAQ-KGLIPLIRSA-N 269.735 3.575 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1sc(CCOC)nc1C 343513485 WDFJPOBYGIOMQC-YPMHNXCESA-N 282.453 3.646 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(Br)cc1F 344237596 XHKTXVVYFJQHIO-VIFPVBQESA-N 297.171 3.543 30 20 CHED CC[C@H](C)c1cc(C(=O)Nc2ccccc2CC#N)on1 344353018 CNPRKMOSBSKNAF-NSHDSACASA-N 283.331 3.506 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1ccc(F)c(C#N)c1 344379376 OXVOXTPFDYFKDZ-ZDUSSCGKSA-N 280.346 3.644 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1cncc(F)c1 346898609 HODMTXYLWLBDDP-UHFFFAOYSA-N 297.377 3.751 30 20 CHED Cc1ccccc1-n1nccc1/C=C\c1ccncc1C#N 349109617 NRWNSKMHFOZJOQ-SREVYHEPSA-N 286.338 3.618 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H]2CCSc3c(F)cccc32)C1 349339459 CXALVOKXHITRNU-GYSYKLTISA-N 276.380 3.644 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCc3c(Cl)cccc32)C1 349426728 XCAPWVCJQGQSAB-ZETOZRRWSA-N 260.768 3.609 30 20 CHED C=CCC[C@H](NCCc1ccncc1)c1ccccc1 351573181 ICBHIPGCTWDTMA-SFHVURJKSA-N 266.388 3.921 30 20 CHED N#CC1(F)CCN(C(=O)Nc2cccc3ccccc23)CC1 353329280 KUDGPYQHXVCZKW-UHFFFAOYSA-N 297.333 3.699 30 20 CHED C=CCCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 354281503 FKODODWAYQACIM-UHFFFAOYSA-N 290.407 3.735 30 20 CHED C=CCC[C@@H](NC(=O)c1ccc(OC)cn1)c1ccccc1 360373035 CJYHVODGUAKLTH-MRXNPFEDSA-N 296.370 3.528 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnn([C@@H](C)CC)c1C 361295743 QAYYNLOJDUXZNX-XHDPSFHLSA-N 263.385 3.703 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 361446391 RXBQTFBKHPGORZ-UHFFFAOYSA-N 274.751 3.897 30 20 CHED CCN(C(=O)c1ccc(C(C)C)cn1)c1ccc(C#N)cc1 361859205 OHIPATSDGGTKOC-UHFFFAOYSA-N 293.370 3.743 30 20 CHED C=CC[C@H](CC)NCc1cc(O)ccc1Br 381338293 WNZJFLDXQMSGQW-NSHDSACASA-N 284.197 3.599 30 20 CHED CCCCCCCCN[C@H](C)c1nnc(C)s1 391872518 KNOMVBPISORNCD-LLVKDONJSA-N 255.431 3.858 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCCc3ccccc32)C1 408005196 SAOKRMJLNOLVPD-LSBZLQRGSA-N 296.414 3.695 30 20 CHED N#Cc1ccc(N[C@@H]2CCCC[C@H]2OC(F)F)c(F)c1 409529185 JYSQQKMRZUPEST-CHWSQXEVSA-N 284.281 3.660 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 410135787 SGARSIRYNKCIKS-ZDUSSCGKSA-N 290.363 3.803 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc2[nH]ccc2c1 410139818 ZUWYWLZPIZUSNE-HNNXBMFYSA-N 270.376 3.571 30 20 CHED C[C@H]1[C@H](C)CCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 410512282 JIVUKFNUZAWTKR-CABCVRRESA-N 298.430 3.774 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@@H](C)c1ccccc1C 410828625 OFUHCHZQWGNPQA-HUUCEWRRSA-N 272.392 3.639 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)CCC(F)(F)F 410973770 WWHDXARQLCRENK-UHFFFAOYSA-N 290.672 3.687 30 20 CHED C=CCCCCCN1Cc2ccc(C(C)=O)cc2C1 411947398 LITCMDHZBPWOLY-UHFFFAOYSA-N 257.377 3.951 30 20 CHED Cc1ccccc1[C@H]1CCCN1c1ncc(C#N)cc1F 413070404 LLTNQONUQVYPEC-MRXNPFEDSA-N 281.334 3.742 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(CCC#N)Cc1ccco1 413283645 TVOVMDXZHMWXMN-AWEZNQCLSA-N 276.380 3.594 30 20 CHED CN(C(=O)NCCCC#N)[C@H]1CCCC[C@H]1c1ccccc1 413435159 GVDTWJWSBJWNHU-IRXDYDNUSA-N 299.418 3.658 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc(F)c(F)c1 414160399 CVFMEUIKTIGSGT-SNVBAGLBSA-N 252.308 3.555 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ccncc1 414301386 LYAAIUGKFJUFGY-QAPCUYQASA-N 266.388 3.920 30 20 CHED C=CCOCCSCc1cc(-c2ccccc2)no1 419362365 BXRWSKAXPQAZAY-UHFFFAOYSA-N 275.373 3.777 30 20 CHED Cc1c(NC(=O)[C@H]2CCCC(C)(C)C2)ccc(C#N)c1C#N 421561942 UHFLCNAHFLNHGO-ZDUSSCGKSA-N 295.386 3.893 30 20 CHED C[C@@H](CC(=O)NCc1ccc(C#N)s1)C1CCCCC1 421603955 XSACDQIYCOHYQS-LBPRGKRZSA-N 290.432 3.842 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(-c2ccnn2C)ccc1C 424822481 AZTSUWYICJYZHF-UHFFFAOYSA-N 297.402 3.936 30 20 CHED C=CCC[C@@H](CC)NCC(=O)Nc1ccc(C)cc1Cl 425371349 QARPUCRHPUWMCO-CYBMUJFWSA-N 294.826 3.921 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)N[C@@H](c2ccccc2)C2CCC2)C1 425439277 DZUNZQZCHIIZEC-XKQJLSEDSA-N 297.402 3.519 30 20 CHED CCCC1(CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1 425463474 IHEGJVHQUSQRIU-CQSZACIVSA-N 299.418 3.841 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCN(c2ccccc2F)C1 426296598 SVLLEIGLOIUIBQ-KKUMJFAQSA-N 276.399 3.595 30 20 CHED C=CCOc1ccccc1CN1CC[C@@H]2CCC[C@@H]21 428457053 LRQMVCOVTVSQBS-HOCLYGCPSA-N 257.377 3.626 30 20 CHED Cc1cccc(-n2ccnc2S[C@@H]2CC[C@@H](C#N)C2)c1 430102310 AAMATCRGOWEHIT-UKRRQHHQSA-N 283.400 3.965 30 20 CHED N#CCC1(CNC(=O)c2cc(F)ccc2-c2ccoc2)CC1 431168132 HFPMYXDVXNMMHX-UHFFFAOYSA-N 298.317 3.509 30 20 CHED N#Cc1nn(Cc2cccc3cccnc23)c2ccccc12 432454916 HZKGRAXAJXHESI-UHFFFAOYSA-N 284.322 3.504 30 20 CHED C=CCC(C)(C)CNC(=O)N(CC)CCc1ccccc1 432558231 ONGZQRHATCGCQK-UHFFFAOYSA-N 288.435 3.863 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)CC1 438933138 DTHQESRBXVMDGB-ANQUJSFKSA-N 276.424 3.791 30 20 CHED C=CCC[C@H](NCc1ccc(F)c(F)c1)C1CC1 439080708 VJYHSQYRINKWIE-HNNXBMFYSA-N 251.320 3.799 30 20 CHED CC[C@@H](NCCCN1CCC(C)CC1)c1ccc(C#N)cc1 447521514 WLIFQZDVHPOYHW-LJQANCHMSA-N 299.462 3.721 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 448622619 RAFCDYLCVBEGRM-YPMHNXCESA-N 299.292 3.543 30 20 CHED C=C(C)CCNCc1cnc(-c2ccccc2)s1 449478669 SGAKWUUNEDGACF-UHFFFAOYSA-N 258.390 3.866 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 449946968 AZRZXSXTNRVQKO-WBMJQRKESA-N 281.359 3.585 30 20 CHED Cc1ccc2ncc(C#N)c(OCCC(C)(F)F)c2c1 450955561 FTTXTKJWIUPGFN-UHFFFAOYSA-N 276.286 3.839 30 20 CHED Cc1[nH]c2ccc(-c3noc([C@]4(C#N)C[C@H]4C)n3)cc2c1C 453088808 OFYDAFCSTGSUIL-XLFHBGCDSA-N 292.342 3.636 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(Cl)cc1C 454165247 OEHMFCJWUUXXRB-UHFFFAOYSA-N 252.745 3.736 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)NCc2cccc(C#N)c2)C1 454323636 PGHDGMIBOYXOEO-MRXNPFEDSA-N 299.418 3.526 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(F)ccc(OCC)c1F 455026316 RHYSJURAMJWLEM-UHFFFAOYSA-N 298.333 3.697 30 20 CHED CCN(CC(C)C)C(=O)Nc1ccc(CC#N)cc1Cl 455708295 SUUKBELTRPDHAG-UHFFFAOYSA-N 293.798 3.916 30 20 CHED C=C(C)CCNC(=O)CCC(=O)c1ccc(CCC)cc1 456122238 NTOZKAFKPYVHPG-UHFFFAOYSA-N 287.403 3.684 30 20 CHED CC(C)CCC1CCN(C(=O)NCC(C)(C)CC#N)CC1 459254705 FWFIQNCBMWTJOU-UHFFFAOYSA-N 293.455 3.784 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCc2ccccc2C1 460376984 WORSUYWBJHPQQS-UHFFFAOYSA-N 296.418 3.540 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)[C@H](C)c2cccc(C#N)c2)C1 461896050 VULOZILIRPOUHM-CPUCHLNUSA-N 284.403 3.699 30 20 CHED CC(C)CC1(CNC(=O)[C@H](C)c2cccc(C#N)c2)CCC1 462175379 KXKAREVDTIJDAA-OAHLLOKOSA-N 298.430 3.994 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H]1CCCCC12CCCC2)OCC 462981981 SKSZRQNWRICLJU-CVEARBPZSA-N 293.451 3.977 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 463037781 NPYDGIIZUFBCCU-CVEARBPZSA-N 293.451 3.787 30 20 CHED N#Cc1ccc(Sc2ncnc3cccc(F)c23)c(F)c1 463078657 RWEATQPVVCROJI-UHFFFAOYSA-N 299.305 3.931 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](C(C)C)CC1 466366437 HORCDCUUIYVPGB-HUUCEWRRSA-N 266.429 3.809 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cccc(CSC)c1 467879443 WRAILDDWVPODAV-INIZCTEOSA-N 277.433 3.768 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCCC(C)(C)C1 467886684 JQNZYVYSQBVMKY-OAHLLOKOSA-N 281.440 3.834 30 20 CHED C=CCCCCNC(=O)COc1ccc2ccccc2c1 471668585 RHHZPNUKZGASOL-UHFFFAOYSA-N 283.371 3.691 30 20 CHED C=CCCCCNC(=O)NC[C@H](C)c1ccc(F)cc1 472861698 CWDUIYJADSBASE-ZDUSSCGKSA-N 278.371 3.585 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OC)c2ncccc12 473668706 XLZIUUPROOOTIA-UHFFFAOYSA-N 299.374 3.721 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CC[C@@H](SCC)C1 474086635 AHAWDDDEUFAVJJ-UONOGXRCSA-N 284.469 3.658 30 20 CHED C=CCCCCNC(=O)N1CCCC[C@H]1C(C)C 474090477 SUEPJGSMRQVFNQ-AWEZNQCLSA-N 252.402 3.563 30 20 CHED C=CCCC1(C(=O)NCCOc2c(C)cccc2C)CC1 474896612 LHFKRUGMNUUPBQ-UHFFFAOYSA-N 287.403 3.545 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1C 476814691 LBEZOGRTNLAOAW-GJZGRUSLSA-N 285.391 3.957 30 20 CHED CC(C)[C@@H]1N(C(=O)C[C@@H](CC#N)c2ccccc2)CC1(C)C 480442340 CUMBVLNTKWVMCB-AEFFLSMTSA-N 298.430 3.967 30 20 CHED CC1(C#N)CN(C(=O)N(c2ccccc2)c2ccccc2)C1 481501957 WQFZUMYABNUHHS-UHFFFAOYSA-N 291.354 3.790 30 20 CHED N#Cc1cc(NC(=O)NCCC2=CCCCC2)ccc1F 481595854 JWWLPOXTXABBEY-UHFFFAOYSA-N 287.338 3.709 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 488577027 KPTJEHCNDBLAIF-CYBMUJFWSA-N 272.392 3.502 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(F)ccc1OC 491258877 GUVKXYKKLMHDSP-UHFFFAOYSA-N 289.350 3.658 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(Cl)c(SC)c1 491712500 ZWIZXFQYUDTIRT-VIFPVBQESA-N 282.796 3.547 30 20 CHED Cc1ccccc1[C@@H](NC(=O)NCC(C)(C)C#N)C(C)C 496202341 DXAGNJMJHHWRAZ-HNNXBMFYSA-N 287.407 3.541 30 20 CHED COc1cc(C#N)ccc1CNC(C)(C)CC(C)(C)C 501210110 YFRQRSIRCOSZGP-UHFFFAOYSA-N 274.408 3.871 30 20 CHED CCc1ccc(CCC(=O)N[C@](C)(C#N)CC(C)C)cc1 502433623 WNISZIBSFZIHHK-SFHVURJKSA-N 286.419 3.626 30 20 CHED Cc1c(C(=O)N[C@@H]2CC[C@H](C)C2)sc2ccc(C#N)cc12 504247674 VKFZKOMOHNSRDU-GXFFZTMASA-N 298.411 4.000 30 20 CHED CC(C)CCN(CCC(C)C)C(=O)NCC(C)(C)C#N 512798862 XNJWYNYLEHBLRS-UHFFFAOYSA-N 281.444 3.640 30 20 CHED C=C(C)COc1cc(CN2CCC(=C)CC2)ccc1OC 513466837 LLAIANXFASWMHK-UHFFFAOYSA-N 287.403 3.802 30 20 CHED COC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(C)C 514982643 HCEAEBHBJBJMEF-MSOLQXFVSA-N 286.419 3.586 30 20 CHED N#C[C@]1(C(=O)NCc2cc3ccccc3o2)CC12CCCC2 514991907 OFOUDFQJPRFFRA-SFHVURJKSA-N 294.354 3.523 30 20 CHED N#CC1(CN2CCC(=Cc3cccc(F)c3)CC2)CC1 520604011 IQWIMDQYJLGCGD-UHFFFAOYSA-N 270.351 3.609 30 20 CHED C=CC[C@H](C)NC(=O)NCCc1ccc(C(C)C)cc1 522594714 YNITYKDWWWDXMA-AWEZNQCLSA-N 274.408 3.616 30 20 CHED N#Cc1cccc(N[C@@H]2CCC[C@@H]2c2ccccc2)n1 522904170 DKAUIVNUHLNETL-HZPDHXFCSA-N 263.344 3.701 30 20 CHED N#Cc1ccc(Cn2cnc(-c3ccccc3)n2)c(Cl)c1 526126552 NVDPPSMJZRCYNC-UHFFFAOYSA-N 294.745 3.518 30 20 CHED CC[C@](C)(C#N)NC(=O)CC(C)(C)C1CCCCC1 527240238 BHKZZPPPYGSHOD-MRXNPFEDSA-N 264.413 3.791 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1c(F)cccc1Cl 527671284 RHLSPUADZOJUJD-UHFFFAOYSA-N 296.773 3.767 30 20 CHED Cc1cc(C)cc(CCC(=O)N[C@@H](C#N)C2CCCCC2)c1 532462399 CKCJVJVCZHTXHB-SFHVURJKSA-N 298.430 3.825 30 20 CHED C=CC1CCN(c2cc(C)c(Br)cn2)CC1 536086147 BFMBKGHMPRXKNY-UHFFFAOYSA-N 281.197 3.555 30 20 CHED C=CCOc1cccc(CN2CCSC(C)(C)C2)c1 537624306 WFACRAPABWXYHC-UHFFFAOYSA-N 277.433 3.579 30 20 CHED C=C(CC)CSCc1nc(CCC(C)C)no1 539094836 SRQBZNMGFAKRFR-UHFFFAOYSA-N 254.399 3.858 30 20 CHED C=C(CC)CNc1ccc(C(C)(C)C(=O)OC)cc1 540194785 QPTUSAUWAPUANG-UHFFFAOYSA-N 261.365 3.515 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H](C)Cc2ccsc2)c1 542521238 GUEKULQEPRLYLM-NSHDSACASA-N 284.384 3.865 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)C1(C#N)CCCCC1 546868654 FOQBQVONOIIAQD-HNNXBMFYSA-N 284.403 3.955 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1c(C)cccc1C 546913597 XNRJUDQJSQNYRP-ZIAGYGMSSA-N 260.381 3.628 30 20 CHED CC(C)Oc1ccccc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 549536215 PJLZHLSPQPFJOZ-KKUMJFAQSA-N 272.392 3.817 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCC1(C)C 554340154 FYRGQMMORRAFGN-CYBMUJFWSA-N 278.421 3.634 30 20 CHED C=CCOc1ccc(CN[C@H](CC)C(C)(C)O)cc1Cl 555627091 BONCDSFVOIHHFX-OAHLLOKOSA-N 297.826 3.544 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC(F)F)nc1 558885484 FHUBNNUDQRPIMX-SNVBAGLBSA-N 299.321 3.549 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(OCc3cccnc3)c2)C1 559784248 VJSSKKCIWOXXJF-WMLDXEAASA-N 293.370 3.765 30 20 CHED CC(C)(C)c1cnc(COc2cc(F)cc(C#N)c2)o1 570313403 SIYQNOLQFYEHSW-UHFFFAOYSA-N 274.295 3.562 30 20 CHED N#CCCCCCC(=O)NCCC1CCCCC1 588149819 TVQWMCIJYASSEQ-UHFFFAOYSA-N 250.386 3.547 30 20 CHED Cc1sc(NC(=O)CCCC2CC2)c(C#N)c1C 589742513 BXUGZBDCGWWHJZ-UHFFFAOYSA-N 262.378 3.755 30 20 CHED Cc1ccccc1C1(C(=O)N[C@H](C#N)CC(C)C)CCCC1 589789398 VZZLTCZLKLGPPH-INIZCTEOSA-N 298.430 3.861 30 20 CHED Cc1cnc(-c2ccccc2NC(=O)CCCCCC#N)[nH]1 589842974 YITJLXRKGNBWEJ-UHFFFAOYSA-N 296.374 3.798 30 20 CHED Cc1cc(C#N)ccc1CSc1ccncc1C 590132063 QDAVUDZBZXJQKB-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C[C@H](CCC#N)N1CCC(N2c3ccccc3C[C@H]2C)CC1 591017201 VIRYDNXELNQZEG-HZPDHXFCSA-N 297.446 3.594 30 20 CHED C[C@@H](C#N)c1ccc(-c2ccccc2C(=O)O)cc1 592968242 JQWRSVUSGVFQFZ-NSHDSACASA-N 251.285 3.679 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC 595038084 GJCQNDQYGNNYFT-NEPJUHHUSA-N 278.352 3.609 30 20 CHED C[C@@H](c1cccs1)N(C)CCc1ccc(C#N)cc1 595296153 JQKQJFMSFQIZRD-ZDUSSCGKSA-N 270.401 3.855 30 20 CHED C=CC[C@H]1CCCN(Cc2nc([C@@H](C)SCC)no2)C1 595659132 KYNKZKLDVCGZDZ-OLZOCXBDSA-N 295.452 3.672 30 20 CHED N#C[C@H](c1ccccc1)N1CCC[C@@H]([C@H]2CCCCO2)C1 595786867 IBAFEHUUBIIQKG-KZNAEPCWSA-N 284.403 3.532 30 20 CHED C[C@H](N(C)c1nc(C#N)c(Cl)s1)C(C)(C)C 596073492 RGSQLNZOCCKKSC-ZETCQYMHSA-N 257.790 3.539 30 20 CHED C[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1 596617489 DFDXLBOFZVXNLC-AWEZNQCLSA-N 270.376 3.728 30 20 CHED CCN(C(=O)C/C=C/c1ccc(C(C)C)cc1)[C@@H](C)C#N 598356989 CDENQLJAEBIERM-LFAOLKIESA-N 284.403 3.974 30 20 CHED CC(C)(C#N)C[C@@H](O)CN[C@@H](c1ccccc1)C(C)(C)C 598594492 KWDNRLVFWGUGJE-CVEARBPZSA-N 288.435 3.664 30 20 CHED Cc1csc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)n1 599046861 SMVOGQUAYFGCDX-SNVBAGLBSA-N 291.807 3.827 30 20 CHED N#Cc1cc(F)ccc1-c1ccc(CC2(CN)CC2)cc1 600789612 SQGQZOYCLUKICO-UHFFFAOYSA-N 280.346 3.646 30 20 CHED C=CC1CCN(C(=O)N[C@H](c2ccccc2)C(C)C)CC1 600833189 WMWMEIOIKVVQCJ-KRWDZBQOSA-N 286.419 3.991 30 20 CHED CC(C)n1ncnc1CSc1ccc(Cl)cc1C#N 601910741 ADYOPGUDANQQKB-UHFFFAOYSA-N 292.795 3.676 30 20 CHED Cc1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1C 602494516 PIABMSKWBNIBRX-OAHLLOKOSA-N 272.392 3.814 30 20 CHED CC(C)[C@@H](NC[C@@H](C)CCC#N)c1nc2ccccc2[nH]1 602528831 LGRVGQNYDJSPLM-XJKSGUPXSA-N 284.407 3.789 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 603064496 GSQSIQPZQGRQKT-LBPRGKRZSA-N 287.338 3.517 30 20 CHED C=CC[C@H](C)NC(=O)CCC(=O)c1ccc2ccccc2c1 604881349 ZIWGIBVDKPGWIX-AWEZNQCLSA-N 295.382 3.884 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 607594001 PFQPFIMWYDYHIY-IAGOWNOFSA-N 299.414 3.950 30 20 CHED N#CC1(C(=O)NCC2(c3ccccc3)CCCCC2)CCC1 609855526 CEQXBZSFFLDTSE-UHFFFAOYSA-N 296.414 3.699 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc(C#N)c1 611555036 JZWXDROLLNHPQS-RISCZKNCSA-N 282.309 3.721 30 20 CHED C[C@H]1C[C@@H](CC(=O)NCC(C)(C)C#N)CC(C)(C)C1 611695085 KUDODIOMLTWNPV-STQMWFEESA-N 264.413 3.505 30 20 CHED N#Cc1cc(N2CCC(C3CCCC3)CC2)ccc1[N+](=O)[O-] 613281202 NJFNMDIAWCQAIM-UHFFFAOYSA-N 299.374 3.873 30 20 CHED C=CCN(C(=O)Cc1cccc(Cl)c1F)C(C)(C)C 622945534 HGBVXBRSSDTYQS-UHFFFAOYSA-N 283.774 3.835 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OCCC)c(F)c1 627046198 NFTFVRCBXYGWMS-UHFFFAOYSA-N 280.343 3.654 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccccc1N(C)CCC 627100469 LOBTZLJWYYHBEM-UHFFFAOYSA-N 275.396 3.573 30 20 CHED C=CCCC(=O)N(CCOCC)[C@H]1CCc2ccccc21 628956002 JAMJQEFMYLGQKH-KRWDZBQOSA-N 287.403 3.505 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2sc(C)nc2C)C1 666286994 UJJSHGRGGGLBJR-GFCCVEGCSA-N 279.409 3.580 30 20 CHED C=CCCCCNc1cc(C)n(CC(F)(F)F)n1 669388315 HDOGVFGXURDXQG-UHFFFAOYSA-N 261.291 3.522 30 20 CHED C=C(CNC(=O)C[C@@H](CC)C(C)C)c1ccccc1 672479538 AGKWCVJJNRQNDY-OAHLLOKOSA-N 259.393 3.888 30 20 CHED C=CCC[C@@H](CCC)N[C@@H]1CCc2cc(O)ccc2C1 683723979 ZKAOENOGJGWIKK-IAGOWNOFSA-N 273.420 3.974 30 20 CHED CC[C@@H](C#N)C(=O)NCC1CC(C)(C)CC(C)(C)C1 687973840 WLRCEGQNYJNGJN-ZDUSSCGKSA-N 264.413 3.505 30 20 CHED Cc1nc(N2CC[C@H](C3CCCC3)C2)c(Cl)cc1C#N 708800602 WANOTMOZZYUCJT-ZDUSSCGKSA-N 289.810 3.932 30 20 CHED C(=NNC1CCCC1)c1ccc(N2CCCCC2)cc1 727652745 XNNRALPCMGRSCF-UHFFFAOYSA-N 271.408 3.543 30 20 CHED C=CC[C@@H](C)C(C)=NNC(=S)Nc1cccc(OC)c1 727777006 LOUAAFQDRDXLAB-LLVKDONJSA-N 291.420 3.570 30 20 CHED CCC[C@H](C)CC(=O)OCc1ccc(F)cc1C#N 728625745 JVJMSPOKSFFCDF-NSHDSACASA-N 263.312 3.567 30 20 CHED CCOc1ccc(NC(=S)NN=C2CCC[C@H]2C)cc1 729140230 BSRLFRRAIHIBQR-LLVKDONJSA-N 291.420 3.548 30 20 CHED Cc1cccc2c1C/C(=C\c1ccc3c(c1)OCCO3)C2=O 729148884 BPCSWUNGHSBRQU-NTEUORMPSA-N 292.334 3.589 30 20 CHED COc1ccc(/C=C2/Cc3c(C)cccc3C2=O)cc1F 729150797 MSIXJTAUOIDXEM-JYRVWZFOSA-N 282.314 3.965 30 20 CHED CC[C@@H](CC(=O)OCc1ccc(F)cc1C#N)C(C)C 729761794 FQIMOYLHLHEBCD-LBPRGKRZSA-N 277.339 3.813 30 20 CHED CC(CCC(C)C)=NNC(=S)NCc1ccc(F)cc1 730559906 NURWKVDNPYFMPP-UHFFFAOYSA-N 295.427 3.602 30 20 CHED C[C@@H](NN=Cc1cccc(F)c1F)c1ccccc1 730728380 TVNYUIQHZYETPR-LLVKDONJSA-N 260.287 3.650 30 20 CHED C#CCOc1ccc(NC(=O)c2cccc(Cl)c2)cc1 730981111 FCPAVYWTPIYPMZ-UHFFFAOYSA-N 285.730 3.604 30 20 CHED CC(C)n1cc(C=NNc2cccc(Cl)c2)cn1 732710858 VHGDCNDLZQNVRO-UHFFFAOYSA-N 262.744 3.563 30 20 CHED C#Cc1cccc(N(CC)C(=O)CO[C@H]2CCCC[C@H]2C)c1 733105231 WLRCIRNOLMQOCS-QAPCUYQASA-N 299.414 3.616 30 20 CHED CCCC(CCC)=NNc1cnnc2ccccc12 733750168 OMQJHZBJZPXSFW-UHFFFAOYSA-N 256.353 3.998 30 20 CHED CCC(CC)NN=Cc1c(OC)ccc2ccccc12 734364775 FIIAZVCKRNVVDD-UHFFFAOYSA-N 270.376 3.961 30 20 CHED C=CCCCOC(=O)C[C@@H]1CCc2ccccc2C1 735535721 KXXYLTQBTGKAKP-CQSZACIVSA-N 258.361 3.691 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)CC3=CCCCC3)[nH]c12 735791607 ABAYBCOFQOEXDI-CQSZACIVSA-N 293.370 3.938 30 20 CHED CCC(CC)NN=C(C)CCc1ccccc1[N+](=O)[O-] 741460003 IKQLVCVXKMNILL-UHFFFAOYSA-N 277.368 3.682 30 20 CHED CCCCCCCCCNC(=O)c1cc(C2CC2)n(C)n1 742043920 OHLSQAFXWAJDHM-UHFFFAOYSA-N 291.439 3.778 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1 742436936 OLVCDDJDEPGBGR-VMPITWQZSA-N 280.323 3.622 30 20 CHED Clc1ccc(NN=Cc2ccc3ccccc3n2)cn1 743450358 JIZBBJIQHBWBOV-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CO[C@@]1(C)CC(=NNc2cc(F)c(F)c(F)c2)C1(C)C 746577514 GVRHCOMOSHQMOF-AWEZNQCLSA-N 286.297 3.707 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=CC1CCCCC1 746680568 XYDSVKXYROTJBN-UHFFFAOYSA-N 277.324 3.581 30 20 CHED O=C(O)c1ccc(/C=C2\CCc3cc(F)ccc3C2=O)cc1 747439243 AVUHZXVNUYJLST-NTEUORMPSA-N 296.297 3.736 30 20 CHED C[C@H](OC(=O)[C@@H]1Cc2ccccc21)c1ccc(C#N)cc1 748679466 GWCWNWSJEWTKLW-YVEFUNNKSA-N 277.323 3.502 30 20 CHED N#Cc1ccc(C=NNc2ccccc2Cl)s1 748778327 IUISHRLKTVWACI-UHFFFAOYSA-N 261.737 3.719 30 20 CHED Cc1ccc(CN(c2snc(Cl)c2C#N)C2CC2)o1 749269175 FAOKHCJGLWPVFF-UHFFFAOYSA-N 293.779 3.739 30 20 CHED C=CCN(C(=O)c1cc(C)ccc1N(C)C(C)C)C1CC1 754415959 LKPJTIDRQHGUID-UHFFFAOYSA-N 286.419 3.630 30 20 CHED C[C@H](NN=Cc1cccc2[nH]ccc12)c1ccccc1 755664698 ORVXMMPNRUEOKZ-ZDUSSCGKSA-N 263.344 3.853 30 20 CHED C#CC[C@H](NC(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccccc1 757059236 OIQIRTUBADYLCD-KSZLIROESA-N 296.414 3.583 30 20 CHED C#CC[C@@H](NC(=O)CCc1ccccc1C)c1ccccc1 757581645 WIYCPSAMLZCUDY-LJQANCHMSA-N 291.394 3.808 30 20 CHED CCCCCCCCOC(=O)c1ncc(F)cc1F 758600163 YQYQCQAXEVHXRV-UHFFFAOYSA-N 271.307 3.877 30 20 CHED CCCCCCC(=O)OCc1ccc(F)c(C#N)c1 758932634 MFBNJPBLZZZEAJ-UHFFFAOYSA-N 263.312 3.711 30 20 CHED C[C@H](Nc1ccc(C#N)nn1)c1ccccc1C(F)(F)F 759313748 OPUSIYFTLYOMRF-VIFPVBQESA-N 292.264 3.540 30 20 CHED C=CCc1ccc(OC(=O)[C@H]2CC23CCC3)c(OC)c1 759821943 PUJJYGMIZFGOPD-CYBMUJFWSA-N 272.344 3.519 30 20 CHED C#CCCCCc1nc(Cc2c(F)cccc2Cl)no1 761305593 RRFCOBONWKHTHM-UHFFFAOYSA-N 292.741 3.799 30 20 CHED C[C@H](NN=Cc1c[nH]c2cccc(F)c12)c1ccccc1 763355765 HBLGMQKGDDRJFK-LBPRGKRZSA-N 281.334 3.992 30 20 CHED Cc1cc(OC(=O)c2ccc(C(C)C)nc2)ccc1C#N 765113456 OJQNTLUZNVSRGV-UHFFFAOYSA-N 280.327 3.604 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C/C(=C\C)CC 765312210 ACPSNXAPMKDHRO-YUJVCWSTSA-N 285.362 3.700 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 765782838 BXHYJLXBZYZANM-MRXNPFEDSA-N 275.436 3.999 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1nc2ccccc2[nH]1 765992440 BFJLDSQOSTZMCC-JTQLQIEISA-N 256.353 3.787 30 20 CHED Fc1cc(NN=C2CC(C(F)F)C2)ccc1Cl 766025158 MTXDFDISOQZEKB-UHFFFAOYSA-N 262.662 3.922 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)C(C)C 766357654 WTDVFIFXCJAVCZ-NEPJUHHUSA-N 297.320 3.630 30 20 CHED CSc1cc(C(=O)N(CCC#N)CC(C)C)ccc1F 766410604 JQBIQYOOLJNZLY-UHFFFAOYSA-N 294.395 3.559 30 20 CHED C#Cc1cccc(NCc2nc3c(s2)CCCC3)c1 766448392 YZMCSOUFFSHUAC-UHFFFAOYSA-N 268.385 3.615 30 20 CHED CCOCCON=C1C[C@@H](C(C)C)c2ccccc21 766453650 BZCNFTPNVOTOGA-HNNXBMFYSA-N 261.365 3.587 30 20 CHED N#Cc1ccc(F)c(CNC[C@H]2C[C@H]2c2ccccc2)c1 767374628 VTBRETFUAJBOTG-WBVHZDCISA-N 280.346 3.591 30 20 CHED C[C@H]1CCC(=NNc2nc(O)c3ccccc3n2)C[C@H]1C 767386154 SJTNJYINTQOLCG-WDEREUQCSA-N 284.363 3.559 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)Cc1ccsc1 767976646 HMPOQCBHONRCSI-UHFFFAOYSA-N 299.395 3.835 30 20 CHED CC(C)CN(CCC#N)Cc1cccc2cc[nH]c12 768153187 ALVPEVBMJUROGZ-UHFFFAOYSA-N 255.365 3.540 30 20 CHED CC(C)CN(CCC#N)Cc1cc2cc(F)ccc2o1 768153863 NIKHOOVNDGWSEW-UHFFFAOYSA-N 274.339 3.944 30 20 CHED C=CCCOC(=O)c1cncc(-c2cccc(C)c2)c1 768672114 DVHBNGCWTROUEV-UHFFFAOYSA-N 267.328 3.790 30 20 CHED O=C1CCCN1N=Cc1ccc(-c2ccccc2F)s1 769593375 MDGCKWIIDWTHHO-UHFFFAOYSA-N 288.347 3.511 30 20 CHED Cc1nc(C)c(C=NNc2c(F)cccc2Cl)s1 769827466 ZLXPCWVAKLGXJT-UHFFFAOYSA-N 283.759 3.998 30 20 CHED N#Cc1cc(/C=C2\CCc3c(O)cccc3C2=O)ccc1F 770572900 UHVPOODZAYRNNM-XYOKQWHBSA-N 293.297 3.615 30 20 CHED C=C(Cl)CN[C@@H]1CCCOc2c(Cl)cccc21 773006192 VRJIOBVVGUZJRO-GFCCVEGCSA-N 272.175 3.896 30 20 CHED C=C(CC)COC(=O)Cc1c(C)nn(-c2ccccc2)c1C 773481038 HDZIFUITQGUHBI-UHFFFAOYSA-N 298.386 3.541 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccc(Cl)cn1 774387845 JGKABNMYQHPLIG-UHFFFAOYSA-N 294.185 3.902 30 20 CHED Fc1cc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 774593954 VLDBSQAZMZGTPT-GAFUQQFSSA-N 298.308 3.539 30 20 CHED CCN(CC1(C#N)CC1)c1ccc2ccccc2c1 775983996 HQQZWUPOGSUDOS-UHFFFAOYSA-N 250.345 3.970 30 20 CHED N#CCc1ccc(COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 776114489 NXYHUDDPYHXLPY-ULQDDVLXSA-N 283.371 3.622 30 20 CHED COC(=O)c1ccccc1NN=C[C@H]1CCC[C@@H](C)C1 776187486 PXWKJZPEYPPUAT-OLZOCXBDSA-N 274.364 3.697 30 20 CHED Cc1cc(C(=O)OCCC(C)(C)C#N)c(C)n1C(C)C 776357192 MDULCNAOARIZGY-UHFFFAOYSA-N 276.380 3.783 30 20 CHED N#C[C@@H](OC(=O)c1cccc(Cl)c1)C1CCCCC1 776360879 FZMQZTRWYMDMAI-CQSZACIVSA-N 277.751 3.969 30 20 CHED C/C(=C/C(=O)OCCC(C)(C)C#N)c1ccccc1 776380536 KIXJIMFCNHMZRG-QBFSEMIESA-N 257.333 3.573 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)c1 776729225 RYZBNHPVXHVGET-TWGQIWQCSA-N 295.313 3.992 30 20 CHED C=CCC[C@H](CC)N[C@H](C)[C@H]1CCCN(C(=O)OCC)C1 776864279 JEUDMIDAGFWMKQ-PMPSAXMXSA-N 296.455 3.578 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)Cc1ccccc1CC#N 776886559 MAAWFIKLVRCRAB-WMZOPIPTSA-N 298.430 3.770 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccccc2CC#N)C1 776894719 ZNSHRFYLMRVLMI-FUHWJXTLSA-N 298.430 3.626 30 20 CHED COc1ccc(OC)c(C(C)=NOC2CCCCC2)c1 777457937 CNNULDYSLHRPKQ-UHFFFAOYSA-N 277.364 3.777 30 20 CHED CC(C)CO[C@H]1CC(=NOCCC(F)(F)F)C1(C)C 777458438 AITBWCHNDHMBHO-NSHDSACASA-N 281.318 3.783 30 20 CHED FC(F)(F)CCON=Cc1cccc(Br)c1 777462984 UWGMLEVIGOFTIR-UHFFFAOYSA-N 296.086 3.752 30 20 CHED COC[C@H](C)NN=C1CCCSc2ccc(Cl)cc21 777893191 MYNXCKHDVNPRTL-JTQLQIEISA-N 298.839 3.555 30 20 CHED Cc1cccc(C)c1C=NNc1cc(Cl)ccn1 777907573 WHYKNPSCECCCCS-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CC(/C=C\C(=O)c1cnn(C)c1C)=C/c1ccccc1 778517422 MHTZZYUWBXZTQP-ZRQQEUPBSA-N 266.344 3.571 30 20 CHED C#CCCCCCC(=O)OCc1cccc2cccnc12 780255918 YJKBNRXMASWYHY-UHFFFAOYSA-N 281.355 3.862 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1nc(C2CC2)cs1 781188594 FMBKHKSTHHPFKN-LLVKDONJSA-N 295.404 3.608 30 20 CHED CC1(C(=O)OCc2ccc(F)c(C#N)c2)CCCCC1 781266274 LIZXNIQGRZXGHW-UHFFFAOYSA-N 275.323 3.711 30 20 CHED CC(C)Oc1ccc(NC(=S)NN=CC2(C)CC2)cc1 782219059 CJPYBOZKIJMJBZ-UHFFFAOYSA-N 291.420 3.546 30 20 CHED C[C@@H]1C[C@H](CC/N=C/c2cc(Cl)ccc2O)CCO1 783684675 GZIVTWVISGMXLS-SYRODZOTSA-N 281.783 3.670 30 20 CHED COc1cc(C(=O)O)ccc1NN=C[C@H]1CCCC[C@@H]1C 783863511 RFSPWQPJVIGPNG-WCQYABFASA-N 290.363 3.617 30 20 CHED C=CCCN(C)C(=S)Nc1ccc(Br)cc1 786083733 PPLYPLYAIBOILS-UHFFFAOYSA-N 299.237 3.654 30 20 CHED C=C(C)COC(=O)c1c[nH]cc1-c1ccccc1F 787197547 DAAWZUXFVFUODT-UHFFFAOYSA-N 259.280 3.554 30 20 CHED Oc1ccccc1/C=N/C[C@H]1CCCN(c2ccccc2)C1 788320523 OHTDMBUKJLIUJF-ZGPWBKFBSA-N 294.398 3.728 30 20 CHED CON=C1CCC[C@@H]1c1cccc(C(F)(F)F)c1 788992027 QBZSHIHBMBIJAE-LLVKDONJSA-N 257.255 3.975 30 20 CHED CCC(=NNCCc1ccncc1)c1cccc(Cl)c1 789094725 TZLJUFMWFXIBGN-UHFFFAOYSA-N 287.794 3.681 30 20 CHED N#Cc1ccc(OC(=O)CCc2cccc(Cl)c2)cc1 789936470 XXBQUHGJXMLOCJ-UHFFFAOYSA-N 285.730 3.750 30 20 CHED N#Cc1cc(C(=O)Oc2cccc(Cl)c2)ccc1F 790086156 ZMCSLKRJAGMNNE-UHFFFAOYSA-N 275.666 3.570 30 20 CHED CCCCCCCCCC(=O)NC[C@H]1CCSC1 791058233 BVXNQQYUHLONCH-CQSZACIVSA-N 271.470 3.996 30 20 CHED CCCCCCC[C@H](C)CN[C@@H]1CCOC[C@H]1C 792924963 ZSQSNWVOPPPNQS-ARFHVFGLSA-N 255.446 3.998 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1ccc(C#N)cc1Cl 793116989 WFLVGFFSQMYKQU-LLVKDONJSA-N 277.799 3.960 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc2c(c1)CCO2 793173812 DCRAJTPLBJHYPE-UHFFFAOYSA-N 287.750 3.506 30 20 CHED Cc1cccc2c1CCC2=NNc1cccc(Cl)n1 793174924 NZQNDELFHYDBIR-UHFFFAOYSA-N 271.751 3.806 30 20 CHED C#CCCCCC(=O)NC[C@@H]1CCCCC(F)(F)C1 794597101 XSGFEQZIAINYTQ-CYBMUJFWSA-N 271.351 3.512 30 20 CHED COCCN(C)N=C1CCC[C@@H](C(C)(C)C)CC1 794963338 QQTMUMRETIMMRE-CYBMUJFWSA-N 254.418 3.547 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)C(C)(C)C(F)F 795852321 YIVLLGRPIWLRGJ-UHFFFAOYSA-N 295.329 3.822 30 20 CHED C=CCCCOC(=O)c1ccc(C(C)(F)F)cc1 796263126 KZFIVEKPYNCPCU-UHFFFAOYSA-N 254.276 3.921 30 20 CHED C#CC[C@H](OC(=O)c1ccc2oc(C)nc2c1)C(C)(C)C 796848090 YYWPYVCEZZNALM-HNNXBMFYSA-N 285.343 3.731 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NN[C@@H]1CCOC(C)(C)C1 797403484 OAROAGYSNFKVHI-MGPQQGTHSA-N 266.429 3.736 30 20 CHED CC(C)[C@H](F)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567537 JULFGVYYSVOKEA-KOLCDFICSA-N 282.384 3.611 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C\c1cnc(C(C)(C)C)s1 798554953 VUYKDAIWZCKNPH-ZWLSGLHFSA-N 292.448 3.925 30 20 CHED CC(C)C[C@H](C)COC(=O)c1ccc(CC#N)cc1 798641746 DCGTXUZWWAJAOM-ZDUSSCGKSA-N 259.349 3.592 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 799210883 FIXMXFDFISQACB-SECBINFHSA-N 297.742 3.724 30 20 CHED Cc1ccc(C(=O)OC2(c3ccccc3)CC2)cc1C#N 799626337 QLIANAGIRKFEMA-UHFFFAOYSA-N 277.323 3.713 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CCC[C@H]3C[C@@H]23)c1 800811317 PLNXDCWLFFEIAI-WDEREUQCSA-N 291.395 3.597 30 20 CHED C#CCN(C)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 801632346 KJFYTUSXFMOLAY-UHFFFAOYSA-N 288.391 3.517 30 20 CHED C[C@H](C#N)OCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 801938023 BYSGUHKRISCRTB-AVRGHOLYSA-N 292.810 3.555 30 20 CHED N#Cc1sc(N(CC2CCC2)CC2CC2)nc1Cl 804681885 HFQUQNONZUIARX-UHFFFAOYSA-N 281.812 3.685 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1sc(-c2ccccc2)nc1C 806408971 ODWFVFXECCCLPQ-ZDUSSCGKSA-N 299.399 3.652 30 20 CHED Cc1ccc([C@H](C)NC(=O)NCC(C)(C)CCC#N)s1 806510666 ZEXUZNVWPQWUFP-LBPRGKRZSA-N 293.436 3.747 30 20 CHED C#C[C@H](NC(=O)c1ccc(C)c(C)c1Cl)C(C)(C)C 807883258 JTMBUASDOVDXGM-ZDUSSCGKSA-N 277.795 3.735 30 20 CHED COc1ccc2c(c1F)CCC2=NNc1ccc(C)cc1 807943956 SYYINBFNTKHWDW-UHFFFAOYSA-N 284.334 3.905 30 20 CHED CC[C@H]1CCC1=NNc1ncnc(Cl)c1C(C)C 807986672 QSVOVGALFKYUIS-VIFPVBQESA-N 266.776 3.841 30 20 CHED COc1ccc(/C=C2/C(=O)c3ccccc3[C@H]2C)cc1O 809155948 IBTSOMRDLIZJJA-BTAWCLGRSA-N 280.323 3.784 30 20 CHED Cc1ccc(Cc2noc(-c3ccc(C)c(C#N)c3)n2)cc1 809287250 AFRBWJDPDUWXOW-UHFFFAOYSA-N 289.338 3.816 30 20 CHED Cl/C=C\CON=Cc1ccc(N2CCCCC2)s1 811671461 FXRUWOQDOHCBJE-IMURNZGBSA-N 284.812 3.841 30 20 CHED O=C(/C=C\c1cc(O)cc(C(F)(F)F)c1)c1cscn1 811693779 MNSYRPKFCRYSLY-UPHRSURJSA-N 299.273 3.764 30 20 CHED N#Cc1cc(/C=C2\Oc3cccc(Cl)c3C2=O)ccc1F 811698430 JQXYKAKWWGLMLT-AUWJEWJLSA-N 299.688 3.967 30 20 CHED C#CCON=C1CCC[C@@H]1c1cccc(C(F)(F)F)c1 812232699 KGTJLIUIMNCVQX-CYBMUJFWSA-N 281.277 3.979 30 20 CHED CC(C)OCCON=C1CC[C@H](C)c2ccccc21 812238598 AKIRNJICJBYNAX-ZDUSSCGKSA-N 261.365 3.730 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1c(C)cccc1F 814370455 XWGGGWVUHOCAEO-UHFFFAOYSA-N 278.371 3.536 30 20 CHED CCc1nocc1C=NNc1ccccc1C(F)(F)F 814688736 KKISFLZVWMWXCD-UHFFFAOYSA-N 283.253 3.702 30 20 CHED C#CCC1(C(=O)N2CC(C)(C)[C@@H]2C(C)C)CCCCC1 817218946 NMKOHOJEFXRAGD-HNNXBMFYSA-N 275.436 3.853 30 20 CHED Clc1ccc2c(NN=C3CCn4cccc43)ccnc2c1 818204607 XUWBXBHKQFQBCD-UHFFFAOYSA-N 296.761 3.910 30 20 CHED C=CCN(C(=O)/C=C/c1ccco1)c1ccccc1 820801703 BGEFNRXMNGYUIX-ZHACJKMWSA-N 253.301 3.512 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc3oncc3c2)cc1 821027793 LRCDOMJPTSPDEE-WAPJZHGLSA-N 279.295 3.733 30 20 CHED CC(C)(C)c1csc(NC(=O)NCCC2CC2)c1C#N 821480612 DFYSNJAESROQRW-UHFFFAOYSA-N 291.420 3.839 30 20 CHED CC(C)C#CC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 831976957 GNDRTLVOZURYDR-UHFFFAOYSA-N 295.329 3.740 30 20 CHED C=CC[C@H](C)N[C@H](C(=O)O)c1cccc(Cl)c1Cl 833371456 SDCMCWPOYWGWTK-UFBFGSQYSA-N 288.174 3.673 30 20 CHED C[C@H]1C/C(=C\c2ccc(C(=O)O)o2)C(=O)c2ccccc21 833585623 AOYVKXHFJYBWCV-SPQRFVMMSA-N 282.295 3.751 30 20 CHED C[C@H]1CCCC1=NNc1ccc(C(=O)O)c(Cl)c1 833607911 JSZGMURHZBWUTR-QMMMGPOBSA-N 266.728 3.626 30 20 CHED Cn1ncc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)c1Cl 834434337 HDGUSTJLDCJQKN-ACLQVGRQSA-N 298.773 3.773 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1cccc(C2CC2)c1 834444728 OOCOCQIXVPSTPO-CMDGGOBGSA-N 266.344 3.800 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1ncnc(Cl)c1C(C)C)OC 834975422 KRHDYWGGQYSPSR-GHMZBOCLSA-N 298.818 3.712 30 20 CHED C[C@@H](NN=Cc1c(Cl)oc2ccccc12)C(F)(F)F 835000903 NAWOOAVJMQRRIY-SSDOTTSWSA-N 290.672 3.961 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 835038680 XXBOFNAJEQFGLM-VFVRVIDISA-N 295.386 3.576 30 20 CHED C#CC[C@H](OC(=O)[C@H](CC)CC(F)(F)F)C(C)C 835200512 LRPYSBRPCMIOOB-MNOVXSKESA-N 264.287 3.556 30 20 CHED CCCCC[C@H](C)NC(=O)Nc1cccc(CC#N)c1 836764780 MIRNPPZQVZQVGS-ZDUSSCGKSA-N 273.380 3.843 30 20 CHED C=CCC1(CNC(=O)c2ccnc(Cl)c2F)CCCC1 836990593 JTXVLTZMVQHIHF-UHFFFAOYSA-N 296.773 3.740 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)C1=CCCC1 837216440 SSBAFOBJSWIADI-UHFFFAOYSA-N 261.409 3.823 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 837587677 JRKXXPJQXFNCCO-GJZGRUSLSA-N 296.414 3.663 30 20 CHED Cc1ccc(CCOC(=O)[C@@]2(C#N)CC23CCCC3)cc1 837906710 RIMRFTFIVOBBJR-SFHVURJKSA-N 283.371 3.555 30 20 CHED Cc1cccc(C2(C(=O)O[C@@H]3CCC[C@H](C#N)C3)CC2)c1 839047022 BVTHHMKVGIJSFW-GOEBONIOSA-N 283.371 3.652 30 20 CHED C=CCC1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCCC1 839058408 OYGBBRMNMJYLKI-ZIAGYGMSSA-N 261.365 3.748 30 20 CHED N#CC1(CCOC(=O)c2ccc3c(c2)COC3)CCCCC1 840218707 HRQOTDOFAMMBPF-UHFFFAOYSA-N 299.370 3.738 30 20 CHED N#Cc1cnc(N2CCC(c3ccc(F)cc3)CC2)c(F)c1 840273396 PAPCAXRFTCBOMJ-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C[C@]1(C(=O)OCc2ccccc2C#N)C[C@@H]1c1ccccc1 840601897 ZEHMTXUUDJJVKV-MJGOQNOKSA-N 291.350 3.795 30 20 CHED Clc1cccc([C@@H]2CCCC(=NNc3nc[nH]n3)C2)c1 841638499 UWINEBRDOQHPII-LLVKDONJSA-N 289.770 3.584 30 20 CHED N#C[C@H](C(=O)/C=C/C1CCCC1)c1nc(C2CC2)cs1 842941845 DFQLMKQJJIVXTF-OQHXTRMZSA-N 286.400 3.943 30 20 CHED C=C[C@H](C)ON=C(C)[C@H](C)c1ccc(OC)c(OC)c1 844624988 KMSNNCKFPGPNCK-RYUDHWBXSA-N 277.364 3.774 30 20 CHED CC[C@H](C#N)C(=O)N(CC)Cc1ccc(C(F)(F)F)cc1 845172132 MMTNIGPPRTWDNP-GFCCVEGCSA-N 298.308 3.604 30 20 CHED C=C(C)CONC(=O)N[C@H](C)c1oc2ccccc2c1C 845592922 JJZJKSOXRJKRLT-GFCCVEGCSA-N 288.347 3.609 30 20 CHED COc1ccc(N[C@H]2CCC[C@@H](SC)C2)cc1C#N 846749864 LIZAXHDPEXSWFN-GXTWGEPZSA-N 276.405 3.653 30 20 CHED N#Cc1ccc(COC(=O)C2CCC3(CC2)CC3)cc1 850266061 XVQJMVBATRQINM-UHFFFAOYSA-N 269.344 3.572 30 20 CHED CC1(C)C[C@@H](OC(=O)CC2(C#N)CCCCC2)C(C)(C)O1 850975603 WXUPMAQHNFYMKB-CYBMUJFWSA-N 293.407 3.740 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1cncc(COC)c1 851141607 BQXPMGDTESZBCW-ZBFHGGJFSA-N 289.375 3.520 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ncccc1C 851144384 RGVNPIHEGONVQZ-ZIAGYGMSSA-N 259.349 3.682 30 20 CHED N#Cc1ccc(SCCC2SCCS2)c(F)c1 853018289 UBGBUKAEVQYMJP-UHFFFAOYSA-N 285.434 3.986 30 20 CHED CC(C)C#CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 854264219 JBDAMFRMSZAAAQ-IBGZPJMESA-N 291.394 3.746 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H]1CCOc2cccc(C)c21 860786519 DCSMCNHHULCDPP-AWEZNQCLSA-N 287.359 3.692 30 20 CHED CC(C)c1cccc(C(=O)/C=C/c2cn(C(C)C)nn2)c1 863195734 KJOXAPWTIDEIRS-CMDGGOBGSA-N 283.375 3.879 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C\c2ccn(C)n2)cc1 863197681 VRPFBPFNQIXJMN-ASCRHOAZSA-N 268.360 3.830 30 20 CHED CC(C)(C)SCCCSc1ccc(C#N)cn1 865352030 UZUNLDSRFPVZRJ-UHFFFAOYSA-N 266.435 3.967 30 20 CHED CC1(C)CC(=NNc2ccc3ccccc3n2)CCO1 872327761 KSKGSFVCJLLTFQ-UHFFFAOYSA-N 269.348 3.592 30 20 CHED C=CC(C)(C)CC(=O)Nc1nc(C(F)(F)F)cs1 878214229 SZRKJVRBNPNHNW-UHFFFAOYSA-N 278.299 3.703 30 20 CHED C=C1CCN(C(=O)c2cc(-c3ccc(CC)cc3)on2)CC1 878737961 UVULKANWRBGSCJ-UHFFFAOYSA-N 296.370 3.696 30 20 CHED C=CCCC[C@H](NCc1cnn(C)c1C)c1ccccc1 880390314 XYKZPTAJSKKNQJ-SFHVURJKSA-N 283.419 3.916 30 20 CHED CSc1ccccc1[C@H](C)Nc1cc(C#N)nc(C)n1 882313131 XHVAFFAAVIUGRX-JTQLQIEISA-N 284.388 3.552 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(C(F)F)cc1 885583107 RWAHYKGRBQYVAT-UHFFFAOYSA-N 252.264 3.503 30 20 CHED CCCCCCCCC(=O)NCc1cc(C2CC2)n(C)n1 885918168 FQKOBKXWDANASX-UHFFFAOYSA-N 291.439 3.664 30 20 CHED C=C1CCC(C(=O)N[C@H](c2ncccc2C)C(C)C)CC1 889000518 BVTFCUVYYVJRTO-INIZCTEOSA-N 286.419 3.950 30 20 CHED C#CC[C@H](NC(=O)/C(F)=C(/C)C1CC1)c1ccccc1 901218899 OMOORUMCIVUCMC-DLEKYWELSA-N 271.335 3.521 30 20 CHED C=CCOc1ccccc1CN[C@H](c1ccccn1)C1CC1 903092175 IMOJJHJEWJKFAR-IBGZPJMESA-N 294.398 3.887 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1cc(C)ccc1OC 903100000 FMGVCZXNGLTRCZ-CQSZACIVSA-N 260.381 3.594 30 20 CHED CCOc1ccc([C@H](C)NCC(C)(C)C#N)cc1OCC 903100356 ORLLQGSQFWTHCL-ZDUSSCGKSA-N 290.407 3.684 30 20 CHED C[C@@H]1CCCN(CCCCC2(C#N)CCC2)[C@@H]1CCCN 903766076 OBDHUSPFCNBOOG-IAGOWNOFSA-N 291.483 3.690 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2ncccc2OC(C)C)no1 904105555 ALVYROHECYXHKW-LBPRGKRZSA-N 287.363 3.674 30 20 CHED CCC(=NOCCC(F)(F)F)c1cccc(C#N)c1 905461242 FVXQJJYFDVVPEK-UHFFFAOYSA-N 270.254 3.641 30 20 CHED COc1cccc(O)c1/C=N/C[C@@H]1CCCc2ccccc21 912962230 MMPIEHLANWTXFQ-NPRIEWAGSA-N 295.382 3.940 30 20 CHED Cc1ccc(NN=C2C(=O)N(C(C)C)c3ccccc32)cc1 916250837 ZLHCZDJGWBGLTH-UHFFFAOYSA-N 293.370 3.566 30 20 CHED C=CCOC(=O)[C@H](Oc1ccccc1)c1ccccc1 919308535 WGMJGZMGFPFECB-MRXNPFEDSA-N 268.312 3.536 30 20 CHED C/C(=C\C(=O)Oc1ccc(C#N)cc1)c1ccc(F)cc1 921276095 ACMFJUKIWDZTDV-ZRDIBKRKSA-N 281.286 3.706 30 20 CHED CCO[C@H](CCN[C@H](C)CC(C)(C)C#N)C1CCCC1 925207615 QSVRDAYLAIKOIX-GDBMZVCRSA-N 280.456 3.890 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 928583697 BXHROTFDUYFWQZ-GHMZBOCLSA-N 256.349 3.570 30 20 CHED CC(C)[C@H](C#N)C=NNc1ncc(Cl)cc1Cl 1116351509 CTUMSHHPIMBIPV-MRVPVSSYSA-N 271.151 3.582 30 20 CHED CC(C)(C)c1nnc(C(C)(C)Oc2ccc(C#N)cc2)o1 1117225334 LTPGTVSGPFZMEC-UHFFFAOYSA-N 285.347 3.553 30 20 CHED CN(C)c1cccc(Cl)c1CNCC(C)(C)CCC#N 1117642469 GPUHYKVWARXHRP-UHFFFAOYSA-N 293.842 3.826 30 20 CHED Cc1nc(Cl)ccc1-c1nnc(-c2cccc(C#N)c2)o1 1118951471 CECCJMPWYQZKPA-UHFFFAOYSA-N 296.717 3.632 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccnn1Cc1ccsc1 1119382049 YCTHQJUZKYIQBM-UHFFFAOYSA-N 289.404 3.534 30 20 CHED Cc1cc(C)cc(NC(=O)[C@H](CC#N)c2ccccc2)c1 1124431494 TXLUNHWKSPWRRY-QGZVFWFLSA-N 278.355 3.939 30 20 CHED CCC[C@H](C)[C@H]1CCCN1CCOc1cccc(C#N)c1 1168124280 DCYHQUFYOYDDHR-MAUKXSAKSA-N 286.419 3.838 30 20 CHED CC(C)CCC[C@@H](C)NCCc1ccc(C#N)cc1 1170061534 TWGQCHHYYMIFPU-OAHLLOKOSA-N 258.409 3.905 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1cc(C#N)cs1)C2=O 1252547456 LTUKNRLTVKLOHF-MLPAPPSSSA-N 295.363 3.895 30 20 CHED C#Cc1cccc(CNCc2csc(C(C)C)n2)c1 1261256737 SEGZCWOESJESGI-UHFFFAOYSA-N 270.401 3.538 30 20 CHED CCO[C@@H]1C[C@H](Nc2snc(C)c2C#N)C1(CC)CC 1306981040 BFTAOBSHTASUPO-QWHCGFSZSA-N 293.436 3.719 30 20 CHED CC1(C)CC[C@@H](CNc2cc(C#N)cnn2)c2ccccc21 1307072714 PZGXWLSVALQNTK-AWEZNQCLSA-N 292.386 3.615 30 20 CHED COc1cc(C)c(C(C)=NOC(C)(C)C)cc1OC 1319802529 GTVXZJWTUIKMIF-UHFFFAOYSA-N 265.353 3.551 30 20 CHED C=C[C@@H](COC)N[C@H]1CCSc2c(Cl)cccc21 1320592389 QGUXINKOVCERJB-GWCFXTLKSA-N 283.824 3.668 30 20 CHED Cn1ccc(NN=C2CCC3(CCCCC3)CC2)n1 1320806097 SPEMFPBGURNUMV-UHFFFAOYSA-N 260.385 3.713 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2ccccc2)s1 1321242636 YFCRDMHYTCOOEF-AWEZNQCLSA-N 273.401 3.706 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1occ(C)c1C 1325844976 FJEUNNHDFDYDMO-UHFFFAOYSA-N 275.373 3.786 30 20 CHED COc1cc(Cl)ccc1-c1nnc(C#CC(C)(C)C)o1 1327339064 MUBADFNJQZLTLL-UHFFFAOYSA-N 290.750 3.796 30 20 CHED CC(C)CNN=C1CC(c2ccc(Br)cc2)C1 1327800061 GYVKFZMTBGLKQW-UHFFFAOYSA-N 295.224 3.928 30 20 CHED CCN(C(=O)c1ccc2c(c1)-c1ccccc1C2)[C@H](C)C#N 1331281929 NFZHSUFHIZHTMO-CYBMUJFWSA-N 290.366 3.632 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(F)c(F)cc1F 1336760450 RZRBLIROKXSLTK-JTQLQIEISA-N 283.293 3.675 30 20 CHED CC[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1 1337679395 PPLRYSHANCOULO-KRWDZBQOSA-N 296.345 3.507 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc2cccc(Cl)c2o1 1337716275 OZKJOQZEBOPFLZ-LLVKDONJSA-N 290.750 3.850 30 20 CHED CC[C@@H](C)CC(=O)N(c1cccc(C#N)c1)C1CCC1 1350250918 AERLJPYUVHGWLI-CYBMUJFWSA-N 270.376 3.880 30 20 CHED C[C@H](NC(=O)NC[C@H]1CCCC1(C)C)c1cccc(C#N)c1 1470277013 MJEGRDCQKAGJOD-XJKSGUPXSA-N 299.418 3.745 30 20 CHED CC[C@H]1CCC[C@@H](Nc2c(C#N)cccc2C#N)C1 1472701892 IELKYZXHIWWRPR-SWLSCSKDSA-N 253.349 3.811 30 20 CHED N#Cc1ccccc1OCCn1cnc(-c2ccccc2)c1 1473087320 UZUOOMYVLKDSMH-UHFFFAOYSA-N 289.338 3.501 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1cccc(OCC#N)c1 1474430806 QLOZSPFJIMJHTE-CVEARBPZSA-N 288.391 3.595 30 20 CHED C=C[C@@H](C(=O)N1CCC(CCF)CC1)c1ccccc1 1520372579 FRAFYMGUYNZDKZ-MRXNPFEDSA-N 275.367 3.554 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)CC2CCC2)cc1C#N 1522383141 WIMPJQBILCTHDQ-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C[C@H]1CC(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H](C)C1 1535868720 WIEBETQYKPICRC-NXEZZACHSA-N 292.329 3.847 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1543407810 MCWXZXNFBIISOZ-GFCCVEGCSA-N 296.374 3.589 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C)c3c2CCC3)c1 1584929734 CPFGHENAEAOAKA-UHFFFAOYSA-N 290.366 3.916 30 20 CHED CCCCC1CCC(C(=O)Nc2cccc(C#N)n2)CC1 1585907446 QFBSRSZYVXCEGU-UHFFFAOYSA-N 285.391 3.888 30 20 CHED C=CCC1(C(=O)Nc2cc(C)c(C(=O)O)s2)CCCC1 1602849100 BMGCDVZHHYGAJB-UHFFFAOYSA-N 293.388 3.830 30 20 CHED CCC[C@H](CNc1n[nH]c(C)c1C#N)c1ccccc1 1656387278 QTQYANZAQYRMMX-CQSZACIVSA-N 268.364 3.586 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2)ccc1-n1ccnc1 1657528165 WQPOEBDYRSYHOK-UHFFFAOYSA-N 288.354 3.665 30 20 CHED CCC[C@H]1CCCCC1=NNc1ccc(C(=O)O)nc1 1776071125 FUZRLVQJIROBTJ-NSHDSACASA-N 275.352 3.538 30 20 CHED C=CCC[C@@H]1CCCN1Cc1c(Cl)cccc1C(=O)O 1776170850 WHWISXNINDNHFJ-GFCCVEGCSA-N 293.794 3.969 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 7718088 YLVSLLJDIZEMDB-KRXBUXKQSA-N 289.237 3.769 30 20 CHED C=C(C)CSc1nnc(NCc2ccc(F)cc2)s1 8357086 PYVDINVWVZKWBY-UHFFFAOYSA-N 295.408 3.958 30 20 CHED C#CCCCCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 179803699 NVPJFSBBAUYWNB-UHFFFAOYSA-N 285.174 3.708 30 20 CHED Cc1ccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 58860137 RVAMHDMTVKDMLS-UHFFFAOYSA-N 299.761 3.842 30 20 CHED N#C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(Cl)cc1 106420979 WPEDRKWMVWRIDF-JTQLQIEISA-N 295.125 3.581 30 20 CHED Cc1nc(C(=O)N2CCCC[C@@H]2CCC(C)C)ccc1C#N 177500299 XOFGTGVGOBCKLD-MRXNPFEDSA-N 299.418 3.693 30 20 CHED COc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1 176411673 ONMILDHKUPNROM-JYRVWZFOSA-N 268.287 3.657 30 20 CHED CC1CCC(=CC(=O)Nc2ccccc2C#N)CC1 114634515 JSORCZKUBMERGV-UHFFFAOYSA-N 254.333 3.633 30 20 CHED C#CCCCNC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 179853624 DEINSXDEKSNMQA-IRXDYDNUSA-N 293.451 3.672 30 20 CHED COCCCOc1cccc(/C=C/C(=O)c2ccccc2)c1 63866683 OLEJNOXACSARLC-VAWYXSNFSA-N 296.366 3.998 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1cccs1 116974085 HHVABDXGVVUICW-NEPJUHHUSA-N 264.394 3.559 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2sccc2C1 181042478 VSIYHVFWSZTQKQ-GFCCVEGCSA-N 278.421 3.561 30 20 CHED C=CCOc1cccc(NC(=O)C2CC(C)(C)C2)c1 506767352 PHDVJTBZNPKXFS-UHFFFAOYSA-N 259.349 3.626 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(C#N)cc1 118851234 RTTNYILUPRNQMC-XYPHTWIQSA-N 254.377 3.711 30 20 CHED CC(C)C(=O)Nc1ccc(C/N=C/c2ccccc2O)cc1 119561975 CGHJLRFYRFKDJK-XDHOZWIPSA-N 296.370 3.606 30 20 CHED CC[C@@H](CC#N)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 302168481 SQQUMAOOFTUPIV-ZDUSSCGKSA-N 296.330 3.761 30 20 CHED C[C@H](C#N)CN(C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 66468996 KQMJFVIVEKYJGS-MNOVXSKESA-N 286.297 3.738 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc(SC)cc2)CC1 173398141 OTIQDPFICHPHOU-AWEZNQCLSA-N 290.476 3.710 30 20 CHED CC(C(=O)[C@H](C#N)c1nc2ccccc2o1)=C1CCCC1 179307223 APFRYLJMOOCDFK-ZDUSSCGKSA-N 280.327 3.895 30 20 CHED C#CCCCCC(=O)Nc1cc(Br)ccc1C 119628666 JAQWINKLUOIPOV-UHFFFAOYSA-N 294.192 3.890 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1cccc(C)c1F 177953994 QJHKCSUGPQZIQY-UHFFFAOYSA-N 298.317 3.657 30 20 CHED C=CCCCNc1cc([N+](=O)[O-])ccc1OC(F)F 303943955 YYXXSLZGQSHYKD-UHFFFAOYSA-N 272.251 3.574 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(C)c2F)CC1 179931166 SQYINVHWKWKEDM-UHFFFAOYSA-N 262.328 3.564 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 178534598 AGCDNSGEGNNZIU-GJZGRUSLSA-N 283.375 3.521 30 20 CHED C[C@@H](OC(=O)c1csc(C2CC2)n1)c1ccc(C#N)cc1 175786954 JNRBTCOTRCMRFR-SNVBAGLBSA-N 298.367 3.810 30 20 CHED Cc1c(Cl)ccc2ccc(NC[C@H](C)C#N)nc12 302046966 LJOGPBMPXRHRNZ-SECBINFHSA-N 259.740 3.768 30 20 CHED C[C@H](CNCc1ccc(C#N)cc1)Sc1ccccc1 174608229 GSHASHVCFWKKHR-CQSZACIVSA-N 282.412 3.829 30 20 CHED N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1 62160074 IUPMGBIZZVKFGG-KRWDZBQOSA-N 276.339 3.691 30 20 CHED C=C(Cl)CNc1cc(OC)c(Cl)cc1OC 37488604 LLVTWHWSKONOMW-UHFFFAOYSA-N 262.136 3.522 30 20 CHED N#CCCN(CCC1CCCCC1)Cc1ccco1 357924626 OEOSKRPMNLKUDB-UHFFFAOYSA-N 260.381 3.966 30 20 CHED CC(C)c1ncc(/C=C2/COc3ccccc3C2=O)s1 124914533 LRVCDGWPAOWOEL-XFFZJAGNSA-N 285.368 3.925 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Cc1ccccc1Cl 124372329 RSVBUBPHVBIFEH-CYBMUJFWSA-N 277.795 3.719 30 20 CHED Cc1cccnc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 408280792 QZKCOHNASVAEDL-UHFFFAOYSA-N 299.418 3.619 30 20 CHED C[C@@H]1CC(Nc2cc(Cl)ccc2C#N)C[C@@H](C)O1 122857090 IUSLZAKURQIVJC-NXEZZACHSA-N 264.756 3.580 30 20 CHED CCc1ccc(CCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1 303602821 AJXYOHUNTWVLRX-KXBFYZLASA-N 298.430 3.770 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ccc(C#N)nc1 302520418 AYGICCYJSPVWGS-HNNXBMFYSA-N 281.359 3.980 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 185249492 ZUQYGSIFPDJLFR-LBPRGKRZSA-N 293.794 3.583 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccccc1C(C)(C)C 233358572 KFAIPVMYLZTZEG-CYBMUJFWSA-N 257.377 3.516 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1Cl 488843034 LSOCXKHQLALBQS-LLVKDONJSA-N 267.731 3.660 30 20 CHED C=CCOCCN[C@H](c1ccccc1)c1ccc(OC)cc1 319350975 MTIXSAIZNHXMBK-LJQANCHMSA-N 297.398 3.577 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 180441725 DSAPGLRSPLHGLU-UHFFFAOYSA-N 290.363 3.540 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccc(C#N)cc1 187984017 NRBFQUYNMSJDRJ-LRDDRELGSA-N 257.333 3.765 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)c1cccnc1)c1ccccc1 123715281 PUKNRTOFEBXVEK-LSDHHAIUSA-N 280.371 3.619 30 20 CHED CCN(C(=O)CCC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 79716282 YABRBAITEQGXKB-LLVKDONJSA-N 298.308 3.810 30 20 CHED C[C@H]1CC(Nc2cc(C#N)ccc2C(F)(F)F)C[C@H](C)O1 128828584 RQAGKMNXPLTKPO-UWVGGRQHSA-N 298.308 3.945 30 20 CHED C=CCC[C@H](CC)NCc1ncc(-c2ccccc2)cn1 186065589 OWYQUWDASKGGEI-KRWDZBQOSA-N 281.403 3.978 30 20 CHED N#CCc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 128505640 AONKNFKCPHIIHR-UHFFFAOYSA-N 294.329 3.562 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1ccccc1OC(F)F 186378807 XHLPOJMLLQIMKS-FNORWQNLSA-N 293.244 3.718 30 20 CHED CCN(CC)c1ccc(/C=C/C(=O)c2cncc(F)c2)cc1 78022988 PYMQKUWVTLEVJL-JXMROGBWSA-N 298.361 3.963 30 20 CHED COc1c(C)ccc(NCCOc2ccc(C#N)cc2)c1C 506089191 MYQBYPCSIJLHHS-UHFFFAOYSA-N 296.370 3.675 30 20 CHED Cc1cc(N2CCC[C@H]2c2ccsc2)cc(C#N)n1 341533798 NJTHTSUCDPPZBK-HNNXBMFYSA-N 269.373 3.665 30 20 CHED CC#CCCCC(=O)N1CCCCC[C@H]1CC(C)C 185648228 BORWQYTZUIWTNR-INIZCTEOSA-N 263.425 3.997 30 20 CHED CC#CCCCC(=O)Nc1cccc(Cl)c1F 184980596 OTYNIXMMKLGXIJ-UHFFFAOYSA-N 253.704 3.611 30 20 CHED C=C(C)CSCc1c(F)cc([N+](=O)[O-])cc1F 507111142 NLLQMXFIANWFFB-UHFFFAOYSA-N 259.277 3.682 30 20 CHED C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(SCC#N)c2)C1 79535300 IOXAAPAGWHNHCY-CHWSQXEVSA-N 288.416 3.563 30 20 CHED N#Cc1ccc(CNc2ccc(-c3cnco3)cc2)cc1 37775352 QRPYARRTOKEWAJ-UHFFFAOYSA-N 275.311 3.825 30 20 CHED Cc1csc([C@@H](NCCCC(C)(C)C#N)C2CC2)n1 183490637 IJOSQIGFUZXGBR-ZDUSSCGKSA-N 277.437 3.822 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccccc1 182390197 MESVQJYABIHBCD-CYBMUJFWSA-N 294.354 3.699 30 20 CHED C=C(Br)CN[C@@H](C)c1cc2ccccc2o1 125152243 SUEVXCPOEKUOTQ-JTQLQIEISA-N 280.165 3.992 30 20 CHED C=CCNC(=O)c1ccc(NCc2cccc(C)c2)cc1 37783527 ZNXCXTYTRCAVOQ-UHFFFAOYSA-N 280.371 3.523 30 20 CHED CC#CCCCC(=O)Nc1cc(C)ccc1Br 186103531 ANSOVTKZIHLWTR-UHFFFAOYSA-N 294.192 3.890 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2ccc(C)cn2)cc1 77904280 GBXNXRAPNMKDGU-OAHLLOKOSA-N 268.385 3.925 30 20 CHED CC(C)[C@]1(CO)CCCN(CCC2(C#N)CCCCC2)C1 411774182 ZVNGBYMYMYIDDO-GOSISDBHSA-N 292.467 3.581 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1ccc(C(C)=O)cc1F 187899332 YIYFPTAEKXETSO-OAHLLOKOSA-N 264.296 3.536 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)C12CCC2 181813823 VGJABTDXLCRMGD-RRQGHBQHSA-N 284.403 3.557 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 132740342 NAEBQWCYTMBPFQ-HUUCEWRRSA-N 297.304 3.688 30 20 CHED CC#CCNc1cc(-c2cncc(F)c2)ccc1C 509494786 MGPFHDWDJJFMLP-UHFFFAOYSA-N 254.308 3.631 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccccc2)cc1 49893808 NKEQSLCXFWUWAY-KRWDZBQOSA-N 292.382 3.979 30 20 CHED CC[C@H](CNC(=O)c1cccc(CC#N)c1)c1ccccc1 42399539 WBUDISLWCQFAPT-MRXNPFEDSA-N 292.382 3.676 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)C1CCC1 412841109 OFZQCKLPTHEOHI-WMLDXEAASA-N 271.404 3.726 30 20 CHED C#CCC(C)(C)C(=O)N(Cc1ccc(F)cc1)CC1CC1 185809023 DBYWJWZMAKGVMD-UHFFFAOYSA-N 287.378 3.614 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCc2cc(F)cc(C)c2C1 501223705 HXMSGHKLAHTVDW-QGZVFWFLSA-N 275.367 3.621 30 20 CHED O/C(=N/Cc1cccs1)c1coc(C2CCCC2)n1 328789278 KOMMUAAKNXLURZ-UHFFFAOYSA-N 276.361 3.899 30 20 CHED C=C(Cl)CNC(=O)CCc1ccc(Cl)cc1Cl 134816595 XCKTVSJXJUNTAP-UHFFFAOYSA-N 292.593 3.795 30 20 CHED C=CCOCCn1c(C)c(C(C)C)c(=O)c2ccccc21 418983299 JYMVGSBGIHEUFT-UHFFFAOYSA-N 285.387 3.636 30 20 CHED C=C(C)CN(CCOC)Cc1ccc(F)cc1Cl 503565143 KOPKSYFAHOORFJ-UHFFFAOYSA-N 271.763 3.504 30 20 CHED CC(C)c1scnc1N/C(O)=N/C[C@H]1CCCCS1 329495291 DNFXMKGBVAVIKU-SNVBAGLBSA-N 299.465 3.878 30 20 CHED CC(C)C[C@H](N)c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 414616801 KERWPXSFPMNVQN-AWEZNQCLSA-N 298.390 3.584 30 20 CHED C=CCOCCS[C@H](C)c1ccc(F)cc1F 419391053 HDCXWCVOFZNPLK-SNVBAGLBSA-N 258.333 3.962 30 20 CHED CC[C@H](CN[C@@H]1CCC[C@H](C#N)C1)CC(F)(F)F 414274139 ZBJCLTRWOGQULI-SDDRHHMPSA-N 262.319 3.637 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416099815 LRWDDWFGGOMDCQ-KBAYOESNSA-N 296.414 3.734 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)CCC(C)(C)C#N 131170432 BJDLXYQJRRKKKU-NSHDSACASA-N 266.335 3.897 30 20 CHED CC[C@@H]1CCC[C@H](/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)C1 328840098 OSYCJIKKIFNHLN-RNJOBUHISA-N 266.385 3.667 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1c1ncc(C#N)cc1F 420641454 NNMZHRMEYQAJDZ-HNNXBMFYSA-N 295.361 3.865 30 20 CHED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C(C)C)cc1 131543312 SOMDYSRDURDEHZ-SWLSCSKDSA-N 286.375 3.503 30 20 CHED CSc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1F 424321131 GSSBFWNYZZHOHO-GMXVVIOVSA-N 278.396 3.890 30 20 CHED Cc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 41545859 LUJBIGBAWINOSL-CYBMUJFWSA-N 276.295 3.626 30 20 CHED Cc1ncoc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329966442 RVUQZNFALYPHHJ-YNEHKIRRSA-N 262.353 3.647 30 20 CHED CC1(C)CC[C@@H](/N=C(/O)c2cc(O)nc(C3CC3)c2)C1 329999665 VCQVKHHIVRYHLZ-GFCCVEGCSA-N 274.364 3.548 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC1(C)C 512387023 KPRSXEHPOVOYDA-HNNXBMFYSA-N 290.382 3.712 30 20 CHED Cc1nnc(NCCCSc2ccccc2)c(C#N)c1C 46478883 CXKYGLCGVPOXRE-UHFFFAOYSA-N 298.415 3.559 30 20 CHED C=C(C)CNC(=O)Nc1cc(Cl)c(Cl)cc1OC 191275865 CWNQSUWGVSBYJN-UHFFFAOYSA-N 289.162 3.700 30 20 CHED Cc1nc(CN(C)[C@@H](C)c2cccc(C#N)c2)c(C)s1 425529890 CYJFJELOXOUQGF-NSHDSACASA-N 285.416 3.825 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCOC2(CCCCCC2)C1 424741269 SOUWITYMRJMIAH-UHFFFAOYSA-N 279.424 3.541 30 20 CHED COc1ccc(CC[C@H](C)Nc2cccc(C#N)c2)cc1O 426026644 BKZTXCZFBLUECV-ZDUSSCGKSA-N 296.370 3.706 30 20 CHED C[C@H]1CCCC[C@H]1CCNC(=O)CCc1ccc(C#N)cc1 510538954 LSOBXZAKATVJOV-YJBOKZPZSA-N 298.430 3.823 30 20 CHED CC(C)(C#N)c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 334983697 ABQJEHXBBYCJBQ-UHFFFAOYSA-N 299.227 3.696 30 20 CHED N#CCc1ccc(NC(=O)N[C@H]2C=CCCC2)c(Cl)c1 335584167 QHYQBDMRSUPJJS-LBPRGKRZSA-N 289.766 3.636 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] 516520425 OPSWFBBTEKMKJN-GDBMZVCRSA-N 293.326 3.510 30 20 CHED CN(CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccoc1 426401519 AEQLYGXAGBWULK-UHFFFAOYSA-N 293.288 3.782 30 20 CHED C=CCSCCNC(=O)Nc1c(CC)cccc1CC 194597223 WTCGTEHCPVVVHC-UHFFFAOYSA-N 292.448 3.852 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccccc2N2CCCC2)C1 193108719 NWVJANYBFOZDQF-CABCVRRESA-N 269.392 3.781 30 20 CHED C=CCC(C)(C)C(=O)NCc1c(C)cc(C)cc1C 429834009 XZXPKZLCUQSOPZ-UHFFFAOYSA-N 259.393 3.830 30 20 CHED N#CCCN(Cc1ccccn1)Cc1coc2ccccc12 93100408 IABIWZIOWLEWQP-UHFFFAOYSA-N 291.354 3.744 30 20 CHED Cc1c(CNc2cnccc2C#N)oc2ccc(F)cc12 94150306 UDGRCWHBWMAKHR-UHFFFAOYSA-N 281.290 3.759 30 20 CHED CC1(C#N)CCC(NCc2ccc(Cl)s2)CC1 336229075 SMRLLKBLPLIKQI-UHFFFAOYSA-N 268.813 3.964 30 20 CHED C=CCOCCCSC[C@@H](OC)c1ccccc1 339091274 LCFXIZKAQBLZIC-OAHLLOKOSA-N 266.406 3.700 30 20 CHED CC1(CC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 428524314 UNDJLWQJAATSHT-UHFFFAOYSA-N 297.383 3.810 30 20 CHED CC(C)Cc1ccc([C@@H](NC(=O)[C@H](C)C#N)C(C)C)cc1 510379249 QAXAXYOMXQGUTO-PBHICJAKSA-N 286.419 3.858 30 20 CHED Cc1ncc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 336834222 FPAYAFDUCXSMTQ-IAGOWNOFSA-N 297.427 3.723 30 20 CHED Cc1cc(F)cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 432726274 DLOPXZVDEYPZCT-LBPRGKRZSA-N 297.333 3.889 30 20 CHED N#CCN(Cc1csc(Cl)c1Cl)C1CC1 432738220 ILBRJRHEHMEMQM-UHFFFAOYSA-N 261.177 3.543 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)N(C)c1ccccc1C#N 334525960 KUGASGFEPDXXHI-UHFFFAOYSA-N 293.370 3.662 30 20 CHED CC(C)[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)CC1 523707536 ILJXOMKCNPDMKR-SFHVURJKSA-N 298.430 3.506 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2ccccc2CC#N)c1 521503074 QEVOSFHTEVXAHE-AWEZNQCLSA-N 278.355 3.803 30 20 CHED CC(C)(CCC#N)CNc1ccc(C(F)(F)F)cn1 340885464 CETRIVGFCOVRND-UHFFFAOYSA-N 271.286 3.842 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1C[C@@H]1C1CC1 434075456 QDXMBCFQDBNTAL-CVEARBPZSA-N 261.409 3.627 30 20 CHED C=CCN(CCC#N)Cc1cccc(-c2ccncc2)c1 430092526 AVJUBVSAZHYWEC-UHFFFAOYSA-N 277.371 3.650 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1cc(C#N)cs1)C1CC1 437566955 JRUWKKQEIGYNQB-MRXNPFEDSA-N 296.395 3.809 30 20 CHED C=CCC[C@@H](NCc1cccc(OCC)c1)C1CC1 439095070 UNTKGDVNFLYTTB-QGZVFWFLSA-N 259.393 3.920 30 20 CHED Cc1ccc(OCCCN(C)CC(C)(C)C#N)cc1C 433323841 ZIGMCKKBHVZHBX-UHFFFAOYSA-N 274.408 3.554 30 20 CHED C[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1OC(F)F 342033918 CNMINEQRDHVXAT-GHMZBOCLSA-N 280.318 3.532 30 20 CHED C=CC1CCN(C(=O)c2cccc(OCC(C)C)c2)CC1 346830767 HYPROSMXTPZMFX-UHFFFAOYSA-N 287.403 3.760 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 346247597 GGYRSPPRVYSBNE-VIFPVBQESA-N 287.388 3.692 30 20 CHED C=C(C)CCc1noc(-c2oc3c(c2C)C(=O)CCC3)n1 349779258 JNPYWRRHDGZVOF-UHFFFAOYSA-N 286.331 3.666 30 20 CHED Cc1ccc2c(NCc3cc(C#N)ccc3F)ccnc2n1 435488971 HMXKSNASJPINSJ-UHFFFAOYSA-N 292.317 3.561 30 20 CHED CC(C)[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CCO1 341807189 MYBYNWZDUSEXPV-UHOSZYNNSA-N 298.430 3.729 30 20 CHED N#Cc1cc(F)ccc1CON=Cc1ccc(Cl)cc1 255512964 CTLOAKIRGJSNJZ-UHFFFAOYSA-N 288.709 3.901 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2ccncc2)c1 255031391 XQLSVHUXDPBJBS-SREVYHEPSA-N 265.312 3.543 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc2c(c1)CCC=C2 345891901 TTYDSAPXXVOBLT-UHFFFAOYSA-N 282.387 3.706 30 20 CHED Cc1cccc2c1CCN2[C@@H](C)c1cccc(C#N)c1 600850372 YKMZRVSCYVQYAS-AWEZNQCLSA-N 262.356 3.990 30 20 CHED C=CCOCCCN(Cc1ccco1)C1CCCC1 347969301 KXDKNSSYZXDWMN-UHFFFAOYSA-N 263.381 3.617 30 20 CHED N#C[C@H]1CC[C@@H](N2CCc3cccc(C(F)(F)F)c3C2)C1 528796187 KSHZKESOSSTCOA-WCQYABFASA-N 294.320 3.756 30 20 CHED CC1CCC(N(C)C(=O)/C=C\c2ccccc2C#N)CC1 255216439 MYYOJAWEQZGJAB-XFXZXTDPSA-N 282.387 3.609 30 20 CHED Cc1cccc([C@H](O)C/N=C\c2cc(Cl)ccc2O)c1 255513215 YLTNUESTKJUHMG-BZMUBCNJSA-N 289.762 3.507 30 20 CHED C[C@@H](CCC#N)CNC[C@H]1CCCC[C@H]1C(F)(F)F 602660940 BRAGXQRSBDDCAY-YNEHKIRRSA-N 276.346 3.885 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(F)cc1F 255337724 KURDTTNHZSDIGP-KTAJNNJTSA-N 278.229 3.706 30 20 CHED N#Cc1cccnc1/C=C/C=C/c1ccccc1[N+](=O)[O-] 352005668 DXYWKOWKKHBZPI-UGLGFUFDSA-N 277.283 3.588 30 20 CHED C=CCC(CC=C)c1nc(-c2cccnc2OCC)no1 356256564 JWEOIRSAMKQXGR-UHFFFAOYSA-N 285.347 3.766 30 20 CHED C(=NN1CCOCC1)c1c2ccccc2cc2ccccc12 254450206 SHLBSYBOFHHNJU-UHFFFAOYSA-N 290.366 3.659 30 20 CHED CCC1(C)CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 443512524 SQUBUBLYOKUECG-UHFFFAOYSA-N 297.324 3.989 30 20 CHED C=C(C)CCc1noc(/C=C/c2cnc(C)s2)n1 351607520 LABBFRDBQGPYHV-FNORWQNLSA-N 261.350 3.514 30 20 CHED C=C(C)CCNC(=O)c1c(Cl)cccc1Cl 448550595 FPYZNKUDVSIAEW-UHFFFAOYSA-N 258.148 3.689 30 20 CHED N#Cc1ncccc1NCc1ccc(-c2ccccc2)o1 357243671 YYFFXWSPDQSPNP-UHFFFAOYSA-N 275.311 3.825 30 20 CHED Cc1cn(Cc2ccc(F)c(Br)c2)cc1C#N 532767173 ZMEKVBHZUDOEAX-UHFFFAOYSA-N 293.139 3.618 30 20 CHED C=C(C)CN(C)C(=O)c1ncccc1Oc1ccccc1 441284588 KTQLOINQAKZEOU-UHFFFAOYSA-N 282.343 3.522 30 20 CHED C=CCCC1(C(=O)NC[C@@H]2CCc3ccccc32)CC1 355970193 MFTBLLKCGXINGJ-HNNXBMFYSA-N 269.388 3.579 30 20 CHED CCN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H](C)C(C)C 263994561 AXUVVVJPIILNDD-LLVKDONJSA-N 277.343 3.596 30 20 CHED CC[C@@H](C(=O)N(C)[C@H](C)CC#N)C1CCC(C)CC1 359290538 CWASZNAETBHWOS-HXSCFSKGSA-N 264.413 3.599 30 20 CHED C[C@]1(C#N)CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 619615663 DCZMSDGGBNDRMI-GXOAENINSA-N 296.414 3.723 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)[C@H](C)c1ccc(OC)cc1 449548004 KMPURUIVGCOTKX-ZZCKCESHSA-N 289.419 3.510 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H]1c1cccc(F)c1 614402133 LPTLVQSNHJTLGP-GOSISDBHSA-N 280.346 3.953 30 20 CHED Cc1csc([C@@H](C)CN[C@H]2CCc3ccc(C#N)cc32)n1 353683135 YDKNCUCFHDEBLJ-ZBEGNZNMSA-N 297.427 3.704 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1c(F)cc(C#N)cc1F 610280232 JHQXJOCBSLMVJU-WBVHZDCISA-N 284.309 3.979 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC1CC=CC1 619508374 KEXBMKLHCVZKBA-QGZVFWFLSA-N 252.361 3.634 30 20 CHED CCc1ccc([C@H]2CCCN(CCCC#N)C2)cc1 353265410 IYPAVGLYWCBDBN-KRWDZBQOSA-N 256.393 3.732 30 20 CHED C=C(C)CCNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 615825058 CRZJGTRGEODLTN-SJORKVTESA-N 271.404 3.728 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)c1cccc(CC#N)c1 268126052 GZRGSHLOYCLTAL-QGZVFWFLSA-N 284.403 3.793 30 20 CHED C=CCOc1cccc(NC(=O)NC(C)(C)C2CC2)c1 535752280 DVCJWQBCEYZINY-UHFFFAOYSA-N 274.364 3.562 30 20 CHED CCOCCC1(CNC2CCC(C)(C#N)CC2)CCC1 449192207 PRRNPQNCIJAPNU-UHFFFAOYSA-N 278.440 3.645 30 20 CHED C=CCC1(NC(=O)c2ccc3cccnc3n2)CCCCC1 615960572 GLNWDQHGHVXDLE-UHFFFAOYSA-N 295.386 3.639 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)CCC1 359500333 JXWSMRVUAWEZDN-IAGOWNOFSA-N 299.414 3.627 30 20 CHED C=CCCCNC(=O)N[C@H](C)c1cc2cccc(F)c2o1 448001775 RYNDXNGUPZQWSV-LLVKDONJSA-N 290.338 3.898 30 20 CHED C=CCN(C(=O)C[C@H](CC)c1ccccc1)[C@@H](C)COC 617578700 OZJMLVFDSQYQAC-HOTGVXAUSA-N 289.419 3.620 30 20 CHED CN(C)c1ccccc1CSc1ccc(C#N)cc1 539631498 LMRKUEXXJULOKS-UHFFFAOYSA-N 268.385 3.917 30 20 CHED Cc1nsc(Oc2ccc(C#N)cc2Cl)c1C#N 360881159 MKWHQGNVBZJCJF-UHFFFAOYSA-N 275.720 3.641 30 20 CHED CCCN(CCC)C(=O)C(C)(C)Cc1ccc(C#N)cc1 454165223 OATVJXVGMQQEGX-UHFFFAOYSA-N 286.419 3.776 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCOc1cccc(Cl)c1 538334853 YAMCNAKIRQWCLE-CYBMUJFWSA-N 295.810 3.970 30 20 CHED CC1(F)CC(N[C@H]2CCCCc3cc(C#N)ccc32)C1 453236559 LLBUOVHOXLYFGP-WIHSUSGWSA-N 272.367 3.806 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 455324331 MBJMTZHWIOHBPF-KSZLIROESA-N 298.430 3.930 30 20 CHED CCC(CC)CN(CCC#N)Cc1cn2cccc(C)c2n1 610392360 AMXXFDWLNLOGSK-UHFFFAOYSA-N 298.434 3.795 30 20 CHED C[C@H](NCC1Cc2ccccc2C1)c1ccc(C#N)c(F)c1 538511804 KYTIEKINQWAWBQ-ZDUSSCGKSA-N 294.373 3.763 30 20 CHED C=CCCNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 617615572 RJHBOSPHWCUDRF-SJORKVTESA-N 265.356 3.636 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H]1CCC[C@H](C#N)C1 278837136 UMYIWDGPDVROMJ-PYTWLRIVSA-N 290.382 3.574 30 20 CHED CCN(C[C@H](C)C#N)[C@H](C)c1nnc(-c2cccc(C)c2)o1 363194766 XPBDXDMRSIZMCH-ZIAGYGMSSA-N 298.390 3.588 30 20 CHED C=CCCC1(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)CC1 456992759 SKNXJPPOXSWUSQ-JYYAWHABSA-N 273.420 3.627 30 20 CHED C=CCN(C(=O)Nc1c(C)cc(N(C)C)cc1C)C1CC1 271358134 DZBCPLGHTSUDBI-UHFFFAOYSA-N 287.407 3.552 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(c2nccc(C)c2C#N)C1 543206208 JFQMKFYHJLGKOK-HZPDHXFCSA-N 291.398 3.953 30 20 CHED C=CCC[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 541743066 CHBOZXDKLALRMR-FZKQIMNGSA-N 287.403 3.853 30 20 CHED C=CCCCCNC(=O)c1cc(-c2csc(C)n2)c[nH]1 274697138 XCEJJASXULDYMR-UHFFFAOYSA-N 289.404 3.533 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc2ccccc12 278344646 WJOVEKUJVPSFRZ-UHFFFAOYSA-N 252.317 3.718 30 20 CHED CCc1cc(O)nc(CSCCCCC(C)(C)C#N)n1 277537263 DVNYSNMNDFMUDE-UHFFFAOYSA-N 293.436 3.698 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCCCc1ccc(Cl)cc1 451677623 VDVGSWABBBNMBD-CVEARBPZSA-N 279.811 3.596 30 20 CHED C[C@H]1CCC[C@@H](OCCCCCC(=O)NC(C)(C)C#N)C1 543757429 FDTXCZSEALQFJW-LSDHHAIUSA-N 294.439 3.560 30 20 CHED C[C@@H](C(=O)NC1CCCCCC1)c1cccc(C#N)c1 461764349 JKMPIIZPRLXLQC-CYBMUJFWSA-N 270.376 3.501 30 20 CHED N#Cc1ccccc1CN1CC[C@@](F)(c2ccccc2F)C1 549415075 UXTMEJLQHYKSKH-SFHVURJKSA-N 298.336 3.768 30 20 CHED C=CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H](C)CC 463954620 LXMLNXCUGZHIBK-RISCZKNCSA-N 280.799 3.912 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccnn1Cc1ccc(C)cc1 468021935 MEVCFHWOKWPOBO-GOSISDBHSA-N 297.402 3.781 30 20 CHED COc1cc(C#N)ccc1CN[C@H](c1cccs1)C1CC1 541580913 FWCYXTQNAMCWAX-KRWDZBQOSA-N 298.411 3.869 30 20 CHED CC[C@H]1CCCCCN1C(=O)[C@H](C)c1cccc(C#N)c1 462206795 ISZOPLFTVRNRJM-PBHICJAKSA-N 284.403 3.843 30 20 CHED C=CCC(C)(C)c1noc([C@H]2[C@H]3c4ccccc4C[C@H]32)n1 624633581 OZOJDCCINGXCOK-QLFBSQMISA-N 280.371 3.977 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cc(C)ccn2)cc1 286378216 AMLBHNIUCBURIM-OAHLLOKOSA-N 282.387 3.806 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H](Cc3ccccc3)C2)n1 462859232 ZITWWGZHHXGSIM-KRWDZBQOSA-N 291.398 3.639 30 20 CHED C=CCC[C@H](N[C@H]1CCN2CCC[C@H]2C1)c1ccco1 375887850 JVUXOKPXNRVBIG-JYJNAYRXSA-N 274.408 3.503 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C(C)C)c(O)cc1C 285489217 AGXTZHVVXYADOC-INIZCTEOSA-N 274.364 3.702 30 20 CHED COc1ccc(OCc2ccc(F)cc2C#N)cc1C 462649057 VECDFYOJYLNQDC-UHFFFAOYSA-N 271.291 3.593 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](C)C(C)(F)F)c1 559492070 VIIPASQUGWBHHO-LLVKDONJSA-N 283.318 3.871 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2ccccc2C)CCC1 466533795 JTUAMWXEQKQXLG-HNNXBMFYSA-N 271.404 3.888 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)C1CCC(CC)CC1 466367116 PNSASRSDJLGOGX-SLTAFYQDSA-N 266.429 3.951 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCc1ccccc1 280529075 BSEPJIRYSXELBK-SZMVWBNQSA-N 273.420 3.579 30 20 CHED C=CC[C@H]1N(C(=O)c2cc(C3CC3)no2)CCCC1(C)C 282883174 ZJCFDDWDQPORPN-OAHLLOKOSA-N 288.391 3.759 30 20 CHED Cc1nsc(NC2CC(C)(c3ccccc3)C2)c1C#N 557577510 SQTYXYNWRKLCGG-UHFFFAOYSA-N 283.400 3.855 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(c2ccc(C#N)cn2)C1 286631869 VGIRCQGURVEQSX-CZUORRHYSA-N 263.344 3.541 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)cn2)n1 551536061 OWXTVSRGRYFZSP-OLZOCXBDSA-N 282.347 3.687 30 20 CHED C=CC[C@@H](C(=O)OCC1CC(OCC)C1)c1ccccc1 802949175 PAUNMUHRGLNLLK-BDVYOWHSSA-N 288.387 3.705 30 20 CHED Cc1cc(NC[C@@H](C)Cc2cccs2)cc(C#N)n1 557585405 KBGRURFFVKKHHB-NSHDSACASA-N 271.389 3.614 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@](C)(Cc1ccccc1)[C@H](C)O 477856873 IVBBYYQAIRBDNV-DWRORGKVSA-N 289.463 3.807 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1)c1ccccc1 295261181 DFWHTQFMKTVECE-XFUTXVRSSA-N 293.410 3.627 30 20 CHED CCC[C@@H](Nc1cc(C#N)cc(C)n1)[C@@H](O)c1ccccc1 804680861 WSIHIZODZUSWAV-AEFFLSMTSA-N 295.386 3.576 30 20 CHED C=C(C)C[C@@H](C)C(=O)NCc1ccccc1N(C)C(C)C 474107561 QXTUXSHTRMUMEV-OAHLLOKOSA-N 288.435 3.750 30 20 CHED CSc1ccccc1[C@H](C)OC(=O)CC(C)(C)C#N 800011589 XPJFOHDCYKRAST-NSHDSACASA-N 277.389 3.953 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](C)c1cc(C)sc1C)C(C)(C)C 808214488 JWFGVYVLSPPKIG-SMDDNHRTSA-N 292.448 3.773 30 20 CHED C[C@H]1CCCCC1=NNc1nccnc1C1CCC1 807992821 LKVHGJWIGPCDRB-NSHDSACASA-N 258.369 3.722 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 293232261 CVHRDXXSMKBTDI-CABCVRRESA-N 287.407 3.529 30 20 CHED C=CCC(C)(C)c1noc(CCc2ccccc2F)n1 645625654 RRTADRJFXVUEDR-UHFFFAOYSA-N 274.339 3.848 30 20 CHED O=C1/C(=C/c2cnccn2)Cc2cc(Cl)cc(Cl)c21 809158311 RYLQCFGEKTZSNZ-WEVVVXLNSA-N 291.137 3.606 30 20 CHED CSC1(C=NNc2cc(F)c(F)cc2F)CCC1 800812581 HRDOVJOEXBNRDO-UHFFFAOYSA-N 274.311 3.787 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3cccnc3)C2)CCCCC1 566265087 AXIIZRAIXCFTEI-QGZVFWFLSA-N 298.430 3.924 30 20 CHED C#C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C 809685324 NLCOBVQGMHVGQA-INIZCTEOSA-N 298.342 3.602 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(C#N)c(F)c1 560470128 OAYKPIWKKAQJEQ-OCCSQVGLSA-N 288.366 3.530 30 20 CHED C#Cc1ccc(CNCc2coc(-c3ccccc3)n2)cc1 809619992 AMWGCFHCGDXEPW-UHFFFAOYSA-N 288.350 3.613 30 20 CHED N#CCCCCCC(=O)OCc1cc(-c2ccccc2)on1 805695857 LYQXMKJAEDLRAO-UHFFFAOYSA-N 298.342 3.859 30 20 CHED Cc1cccc(CCN[C@@H]2CCc3ccc(C#N)cc32)c1 569055144 CSGOEVHADOUCIP-LJQANCHMSA-N 276.383 3.686 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 292912439 VTGLXTRKIRKOMY-AWEZNQCLSA-N 297.402 3.652 30 20 CHED C=CCC1(C(=O)N(CC)Cc2ccoc2)CCCC1 648903001 SRYFDNUDVVYEBK-UHFFFAOYSA-N 261.365 3.765 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 565418471 PYPVCUQFVJHAKR-DLBZAZTESA-N 299.418 3.609 30 20 CHED C=CC[C@H](C(=O)N1CCC(C2CC2)CC1)c1ccccc1 646767532 COOAGNISGXZNDB-SFHVURJKSA-N 283.415 3.995 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccccc1C#N 814872655 UJPRWONWVLHICN-UHFFFAOYSA-N 267.307 3.842 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc2c(c1)CCCO2 810992824 UMXDIRNUEPXMFB-UHFFFAOYSA-N 272.344 3.685 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)CCc1cccc(F)c1 488879993 KXWRZNMJUGEVKO-YOEHRIQHSA-N 289.394 3.962 30 20 CHED C=CCn1cccc1C(=O)N(CC)[C@@H]1CCCC[C@@H]1C 489996984 YROHOKUBNMIMCU-LSDHHAIUSA-N 274.408 3.715 30 20 CHED CCc1cccc(NCc2nc(C#N)cs2)c1CC 568086096 STZDQQWECHDXLF-UHFFFAOYSA-N 271.389 3.752 30 20 CHED CC(C)c1cnc(C=NNc2ccc(Cl)nc2)s1 814859501 WVPYYKDNJOPFOC-UHFFFAOYSA-N 280.784 3.761 30 20 CHED C#CCC1(C(=O)Nc2ncc(Cl)cc2C)CCCCC1 813320184 FMKYVWGILFIZLQ-UHFFFAOYSA-N 290.794 3.956 30 20 CHED Cc1cc(CN2CC[C@H]2Cc2ccccc2)ccc1C#N 488217785 ZOGOKBABHFBPQK-IBGZPJMESA-N 276.383 3.684 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc(OCC(=C)C)c1 488827991 BIGHDZQUEVMIFI-UHFFFAOYSA-N 296.370 3.881 30 20 CHED Cc1[nH]c(=N[C@H](C)c2cccc(OC(C)C)c2)ccc1C#N 488063175 JGRJYKHCOCHAGN-CYBMUJFWSA-N 295.386 3.644 30 20 CHED Cc1cc(Cl)cc2c1O/C(=C\c1cccnc1C)C2=O 811697023 IVWZMNHMUCRBFF-AUWJEWJLSA-N 285.730 3.968 30 20 CHED C=CCN(CCc1ccco1)c1nc2cc(F)ccc2o1 486632698 QUQOSHAWBGDCHC-UHFFFAOYSA-N 286.306 3.795 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814917830 STIKAEHOUJAAEI-HZSPNIEDSA-N 294.439 3.668 30 20 CHED CC(=NN[C@@H](C)c1ccncc1)c1cc(C)ccc1C 819815944 VKKJWMMOOVCFMK-AWEZNQCLSA-N 267.376 3.773 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nnc([C@H](C)CC)n1C 577784486 RBMWRVBQYBLVAU-OAHLLOKOSA-N 298.434 3.911 30 20 CHED CC[C@@H](CN(CC)Cc1cc(C#N)n(C)c1)c1ccccc1 483372757 WTISWUFGXCIBGI-KRWDZBQOSA-N 295.430 3.912 30 20 CHED C=CCn1cccc1C(=O)N1CCC(CC)(CC)CC1 488943097 USATXCIFQBLBEG-UHFFFAOYSA-N 274.408 3.717 30 20 CHED C=C(C)COc1cccc(NC(=S)NC(C)(C)C)c1 727283107 KBJDRBHHURITGS-UHFFFAOYSA-N 278.421 3.726 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SCC(F)(F)F 488824010 XEFFQMXIHXGSLT-UHFFFAOYSA-N 286.200 3.626 30 20 CHED C1CCC(N2CCC(=NOCCC3CC3)CC2)CC1 814245585 YSUAYJFMDSMXQY-UHFFFAOYSA-N 264.413 3.588 30 20 CHED C=CCC[C@@H](CC)NC[C@H](CO)c1ccccc1Cl 579101722 HDGOCBIWRQFUAZ-ZIAGYGMSSA-N 281.827 3.750 30 20 CHED Cc1cccc2c1CC[C@H]2/N=C\c1cccc(O)c1O 729641447 IOBNPMFITFOHKX-YQYFLZKSSA-N 267.328 3.513 30 20 CHED C=CCC[C@H](NCc1cccnc1N1CCCC1)C1CC1 658102323 CKKXTFAAIIZEHV-KRWDZBQOSA-N 285.435 3.516 30 20 CHED C=CCCOCC(=O)N(C(C)C)[C@H](C)c1ccccc1 661051433 OVTGLQQTTBWAGG-OAHLLOKOSA-N 275.392 3.577 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 822764706 QHIWGVPAZKBJRH-STQMWFEESA-N 289.375 3.504 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N2CCC(CCC#N)CC2)cc1 570517600 KBRHVBVABSLAOX-MRXNPFEDSA-N 298.430 3.716 30 20 CHED Cc1cc(S[C@@H]2CCC(C)(C)C2=O)ccc1C#N 571403050 TYAQBURUGFGYAV-CYBMUJFWSA-N 259.374 3.717 30 20 CHED C=CC[C@@H](C(=O)NC[C@H]1CCCCS1)c1ccccc1 490200314 ILXJXTKHCNDPIN-HZPDHXFCSA-N 289.444 3.748 30 20 CHED CC(C)(C)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1C#N 729402641 SWOTWHMSYCFYEM-OFAQMXQXSA-N 282.387 3.609 30 20 CHED CC(C)N(Cc1ccc(C#N)c(F)c1)Cc1ccccn1 579304144 ZTKLQLFSACQLNP-UHFFFAOYSA-N 283.350 3.503 30 20 CHED CC(C)[C@H](NC(=O)CC1(C#N)CCCCC1)c1ccccn1 828249881 YLJUUTLEDOWMNO-KRWDZBQOSA-N 299.418 3.759 30 20 CHED C=C(C)CN(C)c1nc(C(F)F)nc2ccc(F)cc12 663778833 VJFZBOLIJODJDW-UHFFFAOYSA-N 281.281 3.719 30 20 CHED C=C(Br)CNC[C@H](C)c1cc(F)cc(F)c1 823818583 ITYQPXZSTOGACD-QMMMGPOBSA-N 290.151 3.567 30 20 CHED Cc1cccc(-c2noc(CCCCCC#N)n2)c1F 589151636 OJSBGKUWLGFCGE-UHFFFAOYSA-N 273.311 3.811 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ncc(-c2ccccc2)[nH]1 588599127 PTBLKMQQBFUERJ-FPLPWBNLSA-N 278.311 3.874 30 20 CHED C=CCC[C@H](O)CN(Cc1ccsc1)C(C)(C)C 661135110 BAVYZPBOGHYPIG-AWEZNQCLSA-N 267.438 3.676 30 20 CHED C=CCN(CC1CCCCC1)C(=S)N[C@@H](C)CC 732625096 IUHMEGWYFBONBS-ZDUSSCGKSA-N 268.470 3.728 30 20 CHED N#CCOc1cc(F)ccc1NC/C=C\c1ccccc1 588408094 QDBFPXSKZSZHDE-DAXSKMNVSA-N 282.318 3.853 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccsc1C#N 906936053 CQVWKNXFCNUEAB-OCCSQVGLSA-N 296.395 3.638 30 20 CHED N#CCCCCCc1nc(-c2cccc3[nH]ccc23)no1 589093858 HYZZVUXBUAZRNI-UHFFFAOYSA-N 280.331 3.844 30 20 CHED N#CCCCCCC(=O)N1CCC=Cc2ccccc21 588969752 HJCKKDLOOUMYFY-UHFFFAOYSA-N 268.360 3.911 30 20 CHED CCn1cc(C=NNc2ccc(Cl)cc2Cl)cn1 732527600 BVYJWXNAOCHZAK-UHFFFAOYSA-N 283.162 3.656 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)C#CC(C)(C)C)c(C)c1 837333378 HPINKLOONHVDPE-OAHLLOKOSA-N 271.404 3.872 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1oc(C(C)C)nc1C 905720706 RRFMIZMLSPRAQA-LBPRGKRZSA-N 265.353 3.752 30 20 CHED C=CCN(Cc1cc(Cl)c(O)c(OCC)c1)C(C)C 838794744 VGKCOXHPVUJRTO-UHFFFAOYSA-N 283.799 3.841 30 20 CHED C=CCS(=O)(=O)[C@H](C)c1ccc(C(C)(C)C)cc1 906028801 DBMVEXVDJOESRG-GFCCVEGCSA-N 266.406 3.646 30 20 CHED N#C[C@@H]1CC[C@@H](NC[C@H](Cc2ccccc2)C(F)(F)F)C1 589344287 GGQGABJKHROOCM-QLFBSQMISA-N 296.336 3.689 30 20 CHED Cc1cc(C#N)cc(N(C)CCc2ccc(Cl)cc2)n1 587977921 YQENZILSLPFYMT-UHFFFAOYSA-N 285.778 3.594 30 20 CHED Cc1ccc([C@H](C)C(=O)N2CCCc3cc(C#N)ccc32)o1 839396041 MWPJNUDZSLTTSQ-ZDUSSCGKSA-N 294.354 3.543 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@@](C)(COC)C1 837387685 MHOXHTLCPNVLMG-QGZVFWFLSA-N 298.471 3.805 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 836783887 BZKFDCUOVJKJGE-SMDDNHRTSA-N 297.320 3.884 30 20 CHED CC(C)Nc1cc(F)ccc1NCc1cc(C#N)ccn1 901401938 MUQGTKQDOFERFL-UHFFFAOYSA-N 284.338 3.525 30 20 CHED N#CC1(c2cccc(-c3cccc(O)c3)c2)CCOCC1 904766992 PSJQMARWJHCFPA-UHFFFAOYSA-N 279.339 3.631 30 20 CHED CC(F)(F)CCC(=O)OCCCCC1(C#N)CCC1 908916346 KQGITVMASONSPD-UHFFFAOYSA-N 273.323 3.829 30 20 CHED C=CC[C@@H](C(=O)OCC1CC(F)(F)C1)c1ccccc1 835489284 CHRSPNZBAQUSJR-CQSZACIVSA-N 280.314 3.935 30 20 CHED COC[C@H](S[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 901661587 GUCSZBOWECUVDB-YUELXQCFSA-N 261.390 3.800 30 20 CHED CC(=NNC(=S)Nc1cccnc1)[C@H]1CCCC[C@@H]1C 834922295 NZVHNAXHGBTLLF-FZMZJTMJSA-N 290.436 3.570 30 20 CHED C#C[C@@H](NC(=O)N(CC)[C@H](C)c1ccc(F)cc1)C(C)C 838596528 RDZOBFUEOCJYCS-CZUORRHYSA-N 290.382 3.576 30 20 CHED CC(=NNc1ccc(C)cc1Cl)C1CCOCC1 835011158 GLYZCUVPHVCWII-UHFFFAOYSA-N 266.772 3.863 30 20 CHED CC#CCCCc1nc(Cc2cc(C)ccc2C)no1 582028487 SOJBWBISDNUKGO-UHFFFAOYSA-N 268.360 3.623 30 20 CHED CCCCCCCC(=O)N[C@@H](C)[C@](C)(OC)C1CC1 839834764 JQQXZFRDZUTYKS-BBRMVZONSA-N 269.429 3.667 30 20 CHED C=C(Cl)COC(=O)C[C@@H](C)c1cccc(F)c1 734903429 BISIRJTWJXPDDU-SECBINFHSA-N 256.704 3.615 30 20 CHED C[C@@H]1[C@@H](CNC(=O)CCCCCC#N)CCC[C@H]1C 588166038 JNJUYSDZFPKCJR-QLFBSQMISA-N 264.413 3.649 30 20 CHED C=CC(C)(C)C(=O)OCc1nc(-c2cccs2)oc1C 837864251 RVBDXJPVKLBMSJ-UHFFFAOYSA-N 291.372 3.967 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c1 836253897 OMLGGAPICFWTGC-IRXDYDNUSA-N 284.403 3.812 30 20 CHED COCC1CCC(=NN[C@@H]2CCCCC2(C)C)CC1 834976747 HJHHUPLWFRPYAF-AWKYBWMHSA-N 266.429 3.737 30 20 CHED C=CCN(CC1CCCCC1)C[C@@H](O)c1ccc(F)cc1 732667983 VLVQPDHAYSAEMZ-GOSISDBHSA-N 291.410 3.927 30 20 CHED C=C(C)[C@@H](NC[C@@H](O)C(C)(C)C)c1ccc(F)c(F)c1 676495818 MNQCVUDWHCVNJV-HUUCEWRRSA-N 283.362 3.579 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 837593796 XXZYMXVWWUZRDN-ZBFHGGJFSA-N 287.378 3.628 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 593506731 AASZEQPQTVKXSF-ZFWWWQNUSA-N 272.392 3.748 30 20 CHED CCOc1ccc(/C=N\[C@H](C)c2cccc(OC)c2)c(O)c1 917557740 BAZNOLCUPRVUNZ-CQLSMYGBSA-N 299.370 3.980 30 20 CHED CCC(CC)(CNC(=O)C(C)(C)C#N)c1ccc(F)cc1 598581473 HCACBHHAJIKJBY-UHFFFAOYSA-N 290.382 3.549 30 20 CHED CC(C)c1ccc(CCC(=O)N(C2CC2)[C@H](C)C#N)cc1 598132604 REKBCKHBTLEOJM-CQSZACIVSA-N 284.403 3.646 30 20 CHED CCCCCCCCCOC(=O)[C@@H]1CCc2c[nH]nc2C1 745621186 COQFOHWEPYQKIR-CQSZACIVSA-N 292.423 3.808 30 20 CHED O=C(/C=C\c1nccc2ccccc12)c1cccnc1 740764455 WAIOGWJDJQFAAK-FPLPWBNLSA-N 260.296 3.526 30 20 CHED C#CCN(Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 747527510 DBZZMRXLPZXPFE-UHFFFAOYSA-N 290.338 3.502 30 20 CHED Cc1ccc(N(CC(C)C)C(=O)CSCC#N)c(C)c1 844665940 WVYNFJJNZZFBHN-UHFFFAOYSA-N 290.432 3.549 30 20 CHED Oc1cccc(/C=N\C[C@@H]2SCCc3ccccc32)c1O 749845908 UXDYXUWKCNMBKX-PMFHANACSA-N 299.395 3.547 30 20 CHED N#CCCCSCc1cc(F)ccc1OC(F)F 596385054 QLZDIVYUMQPLAG-UHFFFAOYSA-N 275.295 3.964 30 20 CHED C=CC[C@@H](NC(=O)N(CC)C[C@H](C)CC)c1ccncc1 748634830 PRJJNWVLLJODBE-GDBMZVCRSA-N 289.423 3.776 30 20 CHED CCOc1cncc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 598676117 NGNMVCRSRXDRMV-CQSZACIVSA-N 295.386 3.545 30 20 CHED C[C@H](C/N=C\c1cc(Cl)ccc1O)N1CCCCCC1 915979933 LPGUJPKBTTVMOC-FDIDITGRSA-N 294.826 3.729 30 20 CHED CC#CCOC(=O)CCn1c2ccccc2c2ccccc21 744786413 PEAYNLWDZIJBDL-UHFFFAOYSA-N 291.350 3.751 30 20 CHED C[C@H](NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1ccc(C#N)cc1 596742658 WKEOLUNNDRZAKT-VIBAHUMZSA-N 296.414 3.952 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1C(C)(C)C 913741805 QRTPTNLQXSKQRU-UHFFFAOYSA-N 281.359 3.745 30 20 CHED C=CCCC(=NNc1nc2cc(F)c(F)cc2[nH]1)C1CC1 747751581 MQTSHNVPIYICEJ-UHFFFAOYSA-N 290.317 3.985 30 20 CHED Cc1ccc(C)c(NN=C2[C@@H]3CCCO[C@@H]3C2(C)C)c1 743430970 OLPAQCFRKSRJJT-BBRMVZONSA-N 272.392 3.906 30 20 CHED C#C[C@@H](NC(=O)C1(CC=C)CCCC1)c1ccccc1 843641180 RZHCPKYPWOAHTA-MRXNPFEDSA-N 267.372 3.614 30 20 CHED CC#CCOC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 745069630 YILLLGUDVDXXTG-LLVKDONJSA-N 284.277 3.766 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](CC#N)C1 595651202 GQBUFSYKXZCGMZ-ZNMIVQPWSA-N 291.439 3.536 30 20 CHED C[C@H](NC(=O)C1=CCC(C)(C)CC1)c1cccc(C#N)c1 590847941 WALBMHXCJBPLEL-ZDUSSCGKSA-N 282.387 3.872 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 593982753 NQEADPPXHLHAOB-INIZCTEOSA-N 298.430 3.942 30 20 CHED C=CCCCCNCc1ncc(-c2ccccc2)[nH]1 683704722 FALQCUXAQGYOSF-UHFFFAOYSA-N 255.365 3.523 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1CCc2ccc(F)cc21 596124520 XNORPWRZJNFRFH-OAHLLOKOSA-N 267.307 3.500 30 20 CHED CCN(CCSC)CCC1(C#N)CCCCC1 592202614 PPWLZTARUIIWOE-UHFFFAOYSA-N 254.443 3.535 30 20 CHED C=CCC1(CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2O3)CCCC1 926540825 MPPGRPDDCQIKAV-ZJIFWQFVSA-N 263.425 3.669 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C3CC3)cc2)cnn1C 840722251 ZNGAUWUDHTXCJE-BJMVGYQFSA-N 266.344 3.502 30 20 CHED CCCC[C@@H](CC)CNC(=S)N1CCC[C@@H](CC#N)C1 849272523 MQMXVYGDTULEBE-CABCVRRESA-N 295.496 3.703 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1nc(C)no1)c1ccc(F)c(F)c1 681464768 NWITWPJEIGIHSE-LKFCYVNXSA-N 293.317 3.624 30 20 CHED CCCCCC[C@H]1CCCC1=NNC1CCOCC1 757594322 WQYKWWDJUWTUAB-AWEZNQCLSA-N 266.429 3.882 30 20 CHED CC(C)c1ncc(C=NNCc2ccc(F)c(F)c2)s1 758371443 BGFBLSRQBOMDFK-UHFFFAOYSA-N 295.358 3.668 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2occc2s1 683788086 GKJJOONFUWVDKR-SNVBAGLBSA-N 261.346 3.675 30 20 CHED O=[N+]([O-])c1cccnc1NN=C1CC[C@H]2CCCC[C@@H]2C1 759205839 GGBINCKCKILVRV-VXGBXAGGSA-N 288.351 3.748 30 20 CHED C#CCNC(=O)[C@H](C)S[C@H](C)c1cccc2ccccc12 920426624 PZEJQZJLELNVGC-KGLIPLIRSA-N 297.423 3.772 30 20 CHED N#Cc1cc(COC(=O)CC2=CCCCC2)ccc1F 758943268 BSIOGBNELWLDAQ-UHFFFAOYSA-N 273.307 3.631 30 20 CHED N#CC1(CCCCN2CCC(C(F)F)CC2)CCC1 929847347 RFUVAHWQACZRMR-UHFFFAOYSA-N 270.367 3.828 30 20 CHED CC(C(=O)OCc1cc(C#N)ccc1F)=C1CCCC1 754160418 VVMKYGFGKXGCJM-UHFFFAOYSA-N 273.307 3.631 30 20 CHED N#CC1(CCCCN2CCOC[C@@H]2c2ccccc2)CCC1 929755573 PPBCWWSPBPVGLX-GOSISDBHSA-N 298.430 3.924 30 20 CHED C#CC[C@@H](NC(=O)NC1(CC(C)C)CC1)c1ccccc1 853909277 ABVACEJFVFKAAK-MRXNPFEDSA-N 284.403 3.629 30 20 CHED Cc1ccc(C2=CCN(C(=O)C3(C#N)CC(C)C3)CC2)cc1 758158663 YPKLGYNSMMMCDJ-UHFFFAOYSA-N 294.398 3.551 30 20 CHED C#CC[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(C)C 752202370 MLXMLPHYTVZRKZ-QFQMRYFISA-N 293.366 3.839 30 20 CHED COc1ccc(NN=Cc2c(O)cccc2Cl)cc1 755802168 QEQSTSKPXKNJGW-UHFFFAOYSA-N 276.723 3.500 30 20 CHED Fc1cc(NN=Cc2cnc3ccccn23)ccc1Cl 755752063 AHNAEEFKBFFPPF-UHFFFAOYSA-N 288.713 3.573 30 20 CHED C[C@H](C(=O)N1CCC[C@H](C#N)C1)c1ccc2ccccc2c1 928220420 IRXUAGBSQIAFTL-LSDHHAIUSA-N 292.382 3.705 30 20 CHED CCOC(=O)N1CCC(C)(C=NOC2CCCCC2)CC1 853335341 QJTPCDIXNLCXGA-UHFFFAOYSA-N 296.411 3.580 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2cc(F)ccc2C)[C@H]1C 853393673 PAAJXVMWTBVJGS-RYUDHWBXSA-N 292.354 3.511 30 20 CHED C=CCCNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 855383073 NVOFMAVXDWITIR-JTQLQIEISA-N 271.282 3.501 30 20 CHED C=CC[C@H](C)C(C)=NNc1cc(F)cc(OC)c1 759210042 MIPRRTILRFMNNT-JTQLQIEISA-N 250.317 3.834 30 20 CHED CC[C@H](C#N)OC(=O)CSc1ccc(C(C)C)cc1 753413842 RALUWOVKVIPBKH-CYBMUJFWSA-N 277.389 3.747 30 20 CHED CS[C@@H](CNC(=O)Nc1sccc1C#N)C(C)(C)C 931836789 ATUCROTUTJAGTR-JTQLQIEISA-N 297.449 3.519 30 20 CHED CCCCN(CC(F)(F)F)C(=O)c1cc(C#N)ccc1C 930486315 NDCQSMAONDYDEZ-UHFFFAOYSA-N 298.308 3.671 30 20 CHED Oc1ccc(Cl)cc1/C=N/[C@H]1CCOC2(CCC2)C1 767688127 JMWQGPPMUZWMIX-VZWMTCDZSA-N 279.767 3.566 30 20 CHED C=C(Cl)COC(=O)Cc1c(C)oc2ccccc12 767726232 DYAWXSCNGXXEPG-UHFFFAOYSA-N 264.708 3.579 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2cc(C)ccc2F)cc1 767731432 YWYJKLBNYIEZMZ-CSKARUKUSA-N 298.313 3.817 30 20 CHED C(C[C@H]1CCOC1)=NNCc1ccc(-c2ccccc2)cc1 765581093 NDMKGYSKPHOPKI-KRWDZBQOSA-N 294.398 3.856 30 20 CHED C[C@@H](c1noc(Cc2ccc(OCC#N)cc2)n1)C(C)(C)C 762153435 YXBCZICFHDUOLO-LBPRGKRZSA-N 299.374 3.712 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)c1c(F)cccc1F 764665197 YOINJFYTIREQKI-JTQLQIEISA-N 254.276 3.578 30 20 CHED CCc1cnccc1C(C)=NNc1cc(F)c(F)c(F)c1 765581168 OCWDQIUYFFUQKA-UHFFFAOYSA-N 293.292 3.897 30 20 CHED Clc1ccc(CNN=Cc2cncs2)c(Cl)c1 767771122 ONRHWZJQOGVNPL-UHFFFAOYSA-N 286.187 3.574 30 20 CHED CC[C@H](C(=O)OCc1ccccc1C#N)c1ccc(F)cc1 764646554 BGMREOPOAMPKKG-KRWDZBQOSA-N 297.329 3.934 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)OCc1cc(C#N)ccc1F 769182278 LZBUIGQLMXOQDR-WCQYABFASA-N 275.323 3.567 30 20 CHED FC(F)(F)CNN=C1CCCc2c(Cl)cccc21 769825931 YYFPHJSFZWGLCJ-UHFFFAOYSA-N 276.689 3.532 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc(Cl)c(C)c2)o1 760261481 DEEJIXKOQJKQQU-PLNGDYQASA-N 261.708 3.841 30 20 CHED CCc1ccc(C=NNc2ccc(F)cc2F)o1 760217302 VAHYPBGLKLIIKM-UHFFFAOYSA-N 250.248 3.566 30 20 CHED Cc1ccc(NN=C2CC[C@H](CC(=O)O)[C@@H]2C)cc1Cl 1117740052 YETKMQDBVINLQT-WDEREUQCSA-N 294.782 3.937 30 20 CHED CSc1cc(C(=O)O[C@H](C)C#N)c(Cl)cc1Cl 761299463 NKSKAGZQXPTFSQ-ZCFIWIBFSA-N 290.171 3.784 30 20 CHED CCCCCCCCCc1nnc(-c2ccnnc2)o1 1118144082 LXAMJKQBCOUIFH-UHFFFAOYSA-N 274.368 3.820 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1cccc(C)c1 1115821218 BLCLJNSQUWZZHN-CLFYSBASSA-N 268.312 3.605 30 20 CHED N#CCCCOC(=O)c1cccc(SC(F)(F)F)c1 1118475806 GFPUNWHIQUJCCZ-UHFFFAOYSA-N 289.278 3.759 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)O[C@H](C#N)C2CCCCC2)C1 776397529 OSHGQGOJTFDDTN-UMVBOHGHSA-N 263.381 3.828 30 20 CHED C#CCCCCCCN[C@H](C)c1n[nH]c([C@H](C)CC)n1 877474867 ICZBBNQZRSFYGI-ZIAGYGMSSA-N 276.428 3.553 30 20 CHED CC(C)c1nccnc1NN=C1CSCc2ccccc21 773087159 XZPCARAOIBJUPT-UHFFFAOYSA-N 298.415 3.663 30 20 CHED N#Cc1ccc(Cl)cc1Oc1snc(Cl)c1C#N 771238570 MDZOWMFCVBZCIK-UHFFFAOYSA-N 296.138 3.986 30 20 CHED CC(=NNc1cnnc2ccccc12)c1ccc(Cl)cn1 774384496 GXRIQTSLSNLUPP-UHFFFAOYSA-N 297.749 3.514 30 20 CHED N#Cc1cc(NC(=O)C[C@H]2C=CCCC2)c(F)cc1F 876351239 WAPMSSHVOGSQAJ-JTQLQIEISA-N 276.286 3.521 30 20 CHED CCN(C(=O)C1(F)CCCC1)[C@@H](C)c1ccc(C#N)cc1 772350750 OLIVLFMNNQWQKK-ZDUSSCGKSA-N 288.366 3.750 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NC[C@@H]1CCC(F)(F)C1 1121926318 LGPROCQCBQAATG-CHWSQXEVSA-N 286.366 3.562 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H]1c1ccc(O)cc1 1123760867 NESWIUZWWCWAIY-INIZCTEOSA-N 273.376 3.658 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc2ccncc2s1 1120733222 JEMATBPCNAVOGJ-ZDUSSCGKSA-N 286.400 3.867 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 779916888 ZSLYOOBFLPBGGZ-AEFFLSMTSA-N 283.415 3.975 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2ccc(C3CC3)cc2)c1 1129602524 FEVNNFLNFPNMBV-UHFFFAOYSA-N 280.302 3.827 30 20 CHED Cc1cccc(C)c1/C=C1\CC(=O)Nc2ccccc2C1=O 774144071 ZHYJXPCSJIGBPO-GXDHUFHOSA-N 291.350 3.912 30 20 CHED C=C1CCC(C(=O)Nc2cc(F)c(O)cc2Cl)CC1 885679740 GEBJMUMOIYSCNC-UHFFFAOYSA-N 283.730 3.870 30 20 CHED CCc1ccccc1NN=C1COCc2ccccc21 782199957 QWJHPKGCKPIYPB-UHFFFAOYSA-N 266.344 3.595 30 20 CHED C[C@@H](C#N)CNC(=O)N[C@@H](c1ccccc1)C1CCCCC1 781929997 USHFBYUPNSEPBJ-YOEHRIQHSA-N 299.418 3.767 30 20 CHED CC(Cc1ccncc1)=NNc1ccc(C#N)c(Cl)c1 783880768 LRSNJHBJGUISGH-UHFFFAOYSA-N 284.750 3.637 30 20 CHED CC(=O)c1cc(C(=O)O[C@@H](C#N)C2CCCCC2)ccc1C 789138957 RQUYFIAYEZLTBQ-KRWDZBQOSA-N 299.370 3.827 30 20 CHED C=C[C@](C)(CC)C(=O)N1Cc2ccccc2[C@@H](C)C1 785449305 IGYHHDGRDWMZMG-SUMWQHHRSA-N 257.377 3.735 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccnc(C3CC3)c2)c1 783411584 XCWUPUAADAKFLA-UHFFFAOYSA-N 290.366 3.607 30 20 CHED CC(C)C(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 784490885 ZSSXUABQUMZGJZ-LLVKDONJSA-N 270.332 3.686 30 20 CHED COc1ccc(NN=C(C)c2cccc(Cl)c2)nc1 780267191 HRISCGYWEJXXTD-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(C)(C#N)CNC(=O)Nc1ccccc1SC(F)F 781807273 OVNIFNMHNCZDJW-UHFFFAOYSA-N 299.346 3.673 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C#N)cn1 783301054 SNAOJRXZBAXSNW-KZULUSFZSA-N 295.361 3.506 30 20 CHED CC(C)(C#N)CCCOC(=O)c1c(O)cccc1Cl 783200652 WLKLILKRCDOZLB-UHFFFAOYSA-N 281.739 3.532 30 20 CHED CC(CCc1ccccc1F)=NNc1ccnc(F)c1 781133687 GNIUYKOBINYWRV-UHFFFAOYSA-N 275.302 3.780 30 20 CHED C#CCCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784483428 HMBOHAZZFJRCNU-ZDUSSCGKSA-N 267.294 3.518 30 20 CHED Cc1cccc([C@@H](C)Nc2ccc(C#N)cc2CO)c1C 892564980 ZYFYSTPHMDHTHW-CQSZACIVSA-N 280.371 3.841 30 20 CHED O=C1/C(=C/c2ccccc2)CCc2ccc(O)cc21 794960465 SLNYKAPMWIHGRD-GXDHUFHOSA-N 250.297 3.605 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N(CC1CCC1)CC1CC1 794394188 RUQFZMFKCBZKLH-ZHACJKMWSA-N 294.398 3.610 30 20 CHED COc1cc(/C=C2\Cc3c(C)cccc3C2=O)ccc1C#N 799497172 JOUQLCKWMPGRJH-OVCLIPMQSA-N 289.334 3.698 30 20 CHED Cc1ccc(C(=O)N2CCCCc3ccccc32)cc1C#N 799308704 RHZMZMSCVSRDJK-UHFFFAOYSA-N 290.366 3.850 30 20 CHED CC[C@H](C)NN=Cc1ccc(OC)c2ccccc12 790182856 MPBXOCRVQPFTFQ-LBPRGKRZSA-N 256.349 3.570 30 20 CHED CC[C@H](C)NN=Cc1ccc(F)cc1C(F)(F)F 790183996 QMIGLUBIIFBBRX-QMMMGPOBSA-N 262.250 3.567 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CC)CCCCC 798041124 XVOFBGYGDAGTCT-OAGGEKHMSA-N 281.440 3.690 30 20 CHED c1cncc([C@H]2CCCC(=NN[C@H]3C[C@H]4CC[C@H]3C4)C2)c1 799883497 FKRWVBJYFAEOTO-XSWJXKHESA-N 283.419 3.873 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2cc(C)cc(C)c2)[C@@H]1C 794480554 LMRHNTDCTHOHMG-KGLIPLIRSA-N 288.391 3.681 30 20 CHED Cc1ccc(NC(=O)NCCc2ccc(C#N)cc2)c(C)c1 1202750950 BFJUADFDSBGCKW-UHFFFAOYSA-N 293.370 3.539 30 20 CHED C#Cc1cncc(C(=O)N(Cc2ccccc2)[C@H](C)CC)c1 798243206 BQLRCMIXVYQOID-OAHLLOKOSA-N 292.382 3.504 30 20 CHED Oc1ccccc1/C=N\[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 797784829 KAGKMAZYOPIJFB-RYAZFGAPSA-N 291.272 3.785 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccccc2F)n1 795768032 PWPGMIFEJVDIMI-NTMALXAHSA-N 258.296 3.888 30 20 CHED Clc1cnc(NN=C[C@H]2CCCSC2)c(Cl)c1 794873613 SUNPIUXOGCVPNS-MRVPVSSYSA-N 290.219 3.929 30 20 CHED CC[C@@H](C)CON=C(CSC)c1ccccc1 793164121 SKAKBKJNUOPULQ-GFCCVEGCSA-N 251.395 3.816 30 20 CHED CCC[C@@](C)(CC)C(=O)[C@H](C#N)c1nc2ccccc2n1C 796617946 HHSCRFULHBEGLU-SCLBCKFNSA-N 297.402 3.966 30 20 CHED Oc1ccccc1/C=N/[C@H]1C[C@H](c2ccccc2F)C1 797784846 KVQFZQWKDKDJEP-FWUUIEFMSA-N 269.319 3.896 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)C)cc1C#N 799332773 OGEQFUYSJIJYMN-OAHLLOKOSA-N 270.376 3.517 30 20 CHED Cc1cc(N2CCC[C@@H](CC#N)C2)nc2ccccc12 1166743420 RTLYYJONKPQUNA-AWEZNQCLSA-N 265.360 3.673 30 20 CHED N#CCCCOc1cccc(N[C@H]2C[C@H]3CC[C@H]2C3)c1 250045230 BWYDYLIDWXIDRL-ZQIUZPCESA-N 270.376 3.970 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc2c(c1)CCC2 1319307365 DIIUYSXRYWFUNE-UHFFFAOYSA-N 275.351 3.556 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)n(CC2CC2)c1C 1321327077 XFLUULMAMRXLIV-HNNXBMFYSA-N 274.408 3.599 30 20 CHED CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1cccc(OCC#N)c1 1320578594 WTGUKAQRJXIVJE-KYJSFNMBSA-N 286.419 3.893 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1oc2ccc(F)cc2c1C 1337581196 RPXYCZCNSTUJGK-GFCCVEGCSA-N 288.322 3.645 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 1181365447 GCRMOUAHBMXMEL-CABCVRRESA-N 276.424 3.793 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2csc(C#N)c2)CC1 1330885284 GHLSYYSKKRXEHF-CYBMUJFWSA-N 290.432 3.908 30 20 CHED C=CCC1(C(=O)O[C@H](C)CC#Cc2cccnc2)CCC1 1263509555 YSSUGKYJKRGRMC-OAHLLOKOSA-N 283.371 3.501 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc2scnc2c1 1344618607 ODYRQAYVNAODBQ-UHFFFAOYSA-N 288.372 3.783 30 20 CHED N#Cc1ccc(-c2nnc(/C=C/c3ccccc3C#N)o2)cc1 1345867105 NTDYYBUECJVXBQ-MDZDMXLPSA-N 298.305 3.650 30 20 CHED CN(CCC1CCCCC1)C(=O)c1csc(C#N)c1 1347812766 HHTWLECGNLDNEC-UHFFFAOYSA-N 276.405 3.662 30 20 CHED C=C1CCN(C(=O)Nc2cccc3ccc(C)nc23)CC1 1262238523 BEMZKZZWGMJMRC-UHFFFAOYSA-N 281.359 3.727 30 20 CHED C[C@H](C(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1F 1261149569 FOMVQNSCRKVSMG-NSHDSACASA-N 294.345 3.514 30 20 CHED C=C(C)CCC(=O)N(CC)c1ccc(Br)cn1 1354546937 WWDKILUBAUNOSU-UHFFFAOYSA-N 297.196 3.553 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(CC)CC1CC1 1359150061 OMLUHOWTUDOPFF-UHFFFAOYSA-N 294.830 3.534 30 20 CHED Cc1ccc2c(CCC(=O)O[C@@H]3CC[C@@H](C#N)C3)c[nH]c2c1 1516749052 HGNKDXCQLAJPRF-UKRRQHHQSA-N 296.370 3.644 30 20 CHED CCCc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)s1 1528489260 HCGYITQZXRJNGO-NWDGAFQWSA-N 277.389 3.940 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 1293271318 WJURSQRWCUPRRT-CYBMUJFWSA-N 295.342 3.671 30 20 CHED CC1(CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCCC1 1461917672 MEIHBHAVBIJIQR-UHFFFAOYSA-N 296.374 3.734 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc(/C=C\c2ccccc2)cs1 1465081918 VFOJWVSJTRBFIF-YXVBKTCISA-N 297.383 3.802 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)O 1602842306 MYTBQRAGZBZVCO-UFBFGSQYSA-N 288.174 3.673 30 20 CHED N#Cc1ccc(OCc2nsc3ccccc23)cc1F 1472990033 KTKNJQJKTDMULP-UHFFFAOYSA-N 284.315 3.886 30 20 CHED Cc1cc(NCc2cccc(Cl)c2F)ncc1C#N 1612050022 DFPQJJNZIYWPKU-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CCC[C@H](CCC)Nc1cc(F)cc(-c2nn[nH]n2)c1 1573333775 FAEWYGBIRFXRCM-ZDUSSCGKSA-N 289.358 3.553 30 20 CHED Cc1cc(C#N)nc(SCC2(C)CCCCC2)n1 1651868259 VSIDMNVPPHZVEW-UHFFFAOYSA-N 261.394 3.719 30 20 CHED C[C@]1(c2ccccc2)CC[C@H](N2CCC[C@@H](C#N)C2)C1 1658883821 NMOYYECXMAPYEK-SZMVWBNQSA-N 268.404 3.732 30 20 CHED C#CCCCCCCNc1ccc(C[C@H](C)C(=O)O)cc1 1588442731 WDOAGHHPYVYYLV-HNNXBMFYSA-N 287.403 3.945 30 20 CHED CN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1CC1(C)C 1654354310 VTVZKFPEAOSGHS-CYBMUJFWSA-N 292.810 3.720 30 20 CHED C=CCC1(C(=O)NCC(CC)(CC)C(=O)O)CCCCC1 1588763701 WRPMSEUJOULJIO-UHFFFAOYSA-N 295.423 3.520 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1cc(C(=O)O)cs1 1588787557 WFKSYDBIVQQJKJ-QWRGUYRKSA-N 267.394 3.842 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)N[C@@H](C)CC#N 1585745304 RSSJBXLFWTUBRO-AWEZNQCLSA-N 278.355 3.694 30 20 CHED CC1(C)CCC[C@H](CNC(=O)NCc2ccc(C#N)cc2)C1 1679521199 CUYKGEBOHSPLLK-INIZCTEOSA-N 299.418 3.574 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1cccc(C#N)c1C)CC2 1675321150 UFNHODBEDPDBJI-UHFFFAOYSA-N 291.354 3.770 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(F)c(C(=O)O)c1 1777477202 HVISOLXFTQOZTK-HYXAFXHYSA-N 290.315 3.790 30 20 CHED CC1(C)CCCCC1=NNc1ccc(C(=O)O)c(F)c1 1776074541 GRSRABFOAJYVBK-UHFFFAOYSA-N 278.327 3.892 30 20 CHED O=C(O)c1ccc2c(c1)CCCCC2=NOCCC1CC1 1776068463 BMEHTVQIUZWIFS-UHFFFAOYSA-N 287.359 3.632 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C1CCCCC1)C1CCC1 1682235563 ILNFBNUIJMHUFJ-CQSZACIVSA-N 284.831 3.787 30 20 CHED CCN(C(=O)[C@@H]1C[C@]1(C)CC)[C@@H](C)c1ccc(C#N)cc1 161733369 LLEVBAWHSXJCJU-OWQGQXMQSA-N 284.403 3.904 30 20 CHED CCCCCCCC(=O)N1C[C@H](C)Oc2ncccc21 158659454 YJDLNMPPXDUNHY-ZDUSSCGKSA-N 276.380 3.556 30 20 CHED C=C(C)CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 160939150 VCXYUOJRQAYTTP-RYUDHWBXSA-N 284.186 3.789 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)c2cccs2)CC1 152985452 KYAKDDBCCVFJKC-HNNXBMFYSA-N 278.465 3.829 30 20 CHED CCN(C(=O)C1CCCCCC1)c1ccc(C#N)cc1 152143769 FDIGASMZTSOPOB-UHFFFAOYSA-N 270.376 3.882 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)Cc1ccc2ccccc2c1 154232437 WVAVTHZXNZEOSD-INIZCTEOSA-N 281.355 3.864 30 20 CHED N#C[C@H]1CCCN(Cc2cc3ccccc3s2)C1 932151628 DLOWCNPTRCJYIT-GFCCVEGCSA-N 256.374 3.637 30 20 CHED CCc1ccccc1C(=O)Nc1cc(C#N)ccc1C 119509933 WEFVXDVUXZMYOL-UHFFFAOYSA-N 264.328 3.681 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](C)c2ccccc21 119633440 NHCDOINTAJWZAE-CQSZACIVSA-N 255.361 3.720 30 20 CHED C#CCSCCN[C@@H]1CCCc2c1[nH]c1ccccc21 231934128 YUOYSHDIEJBNRU-MRXNPFEDSA-N 284.428 3.501 30 20 CHED C[C@@H]1CCCC[C@H]1CNCc1cccc(OCC#N)c1 42858807 AQEOKFLQTSRVIG-ZBFHGGJFSA-N 272.392 3.505 30 20 CHED CCc1ccc([C@H](C)Nc2ncccc2C#N)cc1 37976814 AYZBWGJZUYMGAQ-LBPRGKRZSA-N 251.333 3.689 30 20 CHED CCC1(C)CCN(Cc2ccc(C#N)cc2C)CC1 165477971 QSQBJCQQXIVBRU-UHFFFAOYSA-N 256.393 3.879 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(F)cc2C)c1 308126503 DKJLKNKOSYRMJE-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CSc1ccc(CNc2ccc(C#N)cc2)s1 571935567 RUFWJWWXLPPFRV-UHFFFAOYSA-N 260.387 3.954 30 20 CHED C=CCC[C@@H](C)N[C@@H]1CCOC2(CCCCC2)C1 544591570 IAZHEDCSCAFNQZ-HUUCEWRRSA-N 251.414 3.813 30 20 CHED CCCc1nc(COc2cc(F)cc(C#N)c2)cs1 336808646 CQZLXCIFWPHKBL-UHFFFAOYSA-N 276.336 3.685 30 20 CHED CCc1cnc(CNc2ccc(Cl)c(C#N)c2)s1 395031936 XTKBBORRSPIPHM-UHFFFAOYSA-N 277.780 3.843 30 20 CHED CC(=NOCc1ccccc1)c1ccc(F)c(F)c1 839420229 ZWYDLIPWNJCULH-UHFFFAOYSA-N 261.271 3.906 30 20 CHED C/C(=C\C(=O)O[C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl 179996205 GWACOBAAWUJVDV-NALFIARHSA-N 289.762 3.979 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 178547466 GJBPRTWVSMVIEZ-IUODEOHRSA-N 285.391 3.909 30 20 CHED C=CCCCC(=O)Nc1ccccc1-c1nncn1C(C)C 177479522 SJWCCTNMRMHWQE-UHFFFAOYSA-N 298.390 3.821 30 20 CHED CC(C)C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccccc1 105086511 HXNVOZPONAWIIM-KRWDZBQOSA-N 299.418 3.719 30 20 CHED CS[C@H]1CCC[C@@H](NCC(C)(C)CCC#N)C1 174406628 MZIWTCIJTRGZMQ-OLZOCXBDSA-N 254.443 3.580 30 20 CHED C=CCNC(=O)N[C@H](Cc1ccccc1)c1cccs1 116932799 OKFHWWMLMIKMKE-CQSZACIVSA-N 286.400 3.517 30 20 CHED Cc1cc(C)c(C#N)c(SCCCCCCCO)n1 172899639 DLXAZBWHWAAROW-UHFFFAOYSA-N 278.421 3.605 30 20 CHED CCS[C@H]1CCCC[C@H]1NCc1ccc(C#N)s1 175872704 MAQOHWSXWGAEBG-KGLIPLIRSA-N 280.462 3.774 30 20 CHED Cc1c(Oc2ccc(Cl)c(C#N)n2)cccc1[N+](=O)[O-] 301507699 HJJGDIOFVQBCJQ-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)c2cccc(F)c2)c1 172722319 WRWGUNUCLPDYAJ-LBPRGKRZSA-N 267.303 3.549 30 20 CHED Cc1ccc(-c2ccc(C(=O)NC[C@H](C)C#N)c(F)c2)cc1 171837925 LDFRQEKOZNNIJJ-CYBMUJFWSA-N 296.345 3.691 30 20 CHED N#Cc1cccc(CN[C@H]2CCc3c(Cl)cccc32)c1 62258124 MZNQVWZKKYJAHA-KRWDZBQOSA-N 282.774 3.989 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H]1CCc2ccccc21 178888214 RFMBTNMLQMMASO-SFHVURJKSA-N 292.382 3.686 30 20 CHED C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)CC[C@H]1C 301949785 DEMWPISOXZTLNF-CHWSQXEVSA-N 265.360 3.589 30 20 CHED CCCC(=O)Nc1ccccc1S[C@H](C)CC#N 66802367 FWMKSFFRMRUKTK-LLVKDONJSA-N 262.378 3.819 30 20 CHED N#Cc1nc(N[C@H]2CCc3ccc(F)cc32)ccc1Cl 67372411 VOCIRVTXOKNUBZ-ZDUSSCGKSA-N 287.725 3.845 30 20 CHED C[C@H](C(=O)Nc1ccc(CC#N)cc1)c1cccc(F)c1 172697389 XRUYULLOEBDUHR-LBPRGKRZSA-N 282.318 3.634 30 20 CHED CS[C@@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 178641010 JCGZERKRQWFGHF-MRXNPFEDSA-N 296.395 3.910 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CCc3c(O)cccc32)c1 302125289 WEHPHXQHPMOGAD-MRXNPFEDSA-N 292.338 3.566 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1c[nH]c2cc(F)ccc12 179783698 VNOHWUHZYWLCOQ-GFCCVEGCSA-N 288.366 3.711 30 20 CHED C=CCn1c(S[C@@H](C)CCC)nnc1-c1cccnc1 178412053 YZDGUWKNKGHVKR-LBPRGKRZSA-N 288.420 3.807 30 20 CHED C=CCCC(=O)Nc1nc2c(s1)CCCCCC2 110322831 IOGXJIWXEFZYEF-UHFFFAOYSA-N 264.394 3.707 30 20 CHED C[C@@H](OC(=O)CCc1ccccc1)c1ccc(C#N)cc1 175781962 ZLFBOVOHMQPSSL-CQSZACIVSA-N 279.339 3.795 30 20 CHED C[C@H](C#N)CNc1ccnc2cc(Br)ccc12 302032895 DAAREGFBQMAFFQ-SECBINFHSA-N 290.164 3.569 30 20 CHED CCSCCCNc1cccc(Br)c1C#N 300987006 VFJFPWXZZPRKNH-UHFFFAOYSA-N 299.237 3.876 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F 127968720 UNBLGAANXPUWAH-ZUZCIYMTSA-N 294.301 3.534 30 20 CHED COc1ccc2cc(CNc3cccc(C#N)n3)ccc2c1 301299071 ZNHRWIANLZUHMY-UHFFFAOYSA-N 289.338 3.727 30 20 CHED CC(C)OC(=O)c1cccc(OCc2ccccc2C#N)c1 63566451 ZOMFUBIDSYYVBN-UHFFFAOYSA-N 295.338 3.702 30 20 CHED Cc1cc(OCCCCC(F)(F)F)ccc1C#N 434654414 PFUJJKYNASKNAM-UHFFFAOYSA-N 257.255 3.978 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(COC(C)C)c1 69359947 UZSOGSKBCXVTNN-CQSZACIVSA-N 291.391 3.531 30 20 CHED C=C(C)[C@H](Nc1cc(C)ncn1)c1ccc(F)c(F)c1 302489848 ZNKISUACEPDTMY-HNNXBMFYSA-N 275.302 3.793 30 20 CHED N#Cc1ccc(NCCNc2cccc3ccccc23)cn1 301608304 ZXPUGMWESBBWQK-UHFFFAOYSA-N 288.354 3.630 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 408405758 KKDNMTFJDZTYFF-MELADBBJSA-N 286.375 3.548 30 20 CHED C=C(C)CNC(=O)CCc1ccc(Cl)cc1Cl 123001605 KFZOFGDJKXUTQV-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(c2ccccc2C)CC1 187970925 BQYZUFQWUUPFQT-KRWDZBQOSA-N 271.404 3.745 30 20 CHED C=CCc1ccccc1OCc1nc(C(C)(C)C)no1 78381176 RNYRZNUHRONNAH-UHFFFAOYSA-N 272.348 3.675 30 20 CHED CCCCN(Cc1cn2ccccc2c1C#N)C1CC1 357554307 PBQQZGJHSGSMFN-UHFFFAOYSA-N 267.376 3.575 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 79546059 AUFSOXLSZNHLCS-GFCCVEGCSA-N 261.365 3.558 30 20 CHED C=CCC[C@@H](C(=O)N(C)CC1CCC1)c1ccccc1 187879175 UDXQHEMMNDEZGN-QGZVFWFLSA-N 271.404 3.995 30 20 CHED C=CC[C@H](C(=O)Nc1cnccc1C)c1ccccc1 187625862 RQPHNBRGDVTZAT-HNNXBMFYSA-N 266.344 3.688 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(CC)cc2)no1 184870769 ROQRYTNJXOQOOQ-UHFFFAOYSA-N 254.333 3.600 30 20 CHED Cc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c(O)c1 36991780 XDIVXJDJJYLSKI-KGLIPLIRSA-N 280.371 3.984 30 20 CHED Cc1cc(NC[C@H]2CCCC2(F)F)c(C#N)cc1[N+](=O)[O-] 413320807 VPAJDQQYMCYPDU-LLVKDONJSA-N 295.289 3.622 30 20 CHED C=CCC[C@H](N[C@H](C)[C@H]1CCOC1)c1ccccc1 181507985 NJRZAHCHFXBFHW-PVAVHDDUSA-N 259.393 3.709 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@]23CCc2ccccc23)n1 508688777 XWQKQLPFGQHXLN-YJBOKZPZSA-N 280.371 3.950 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 77639840 LHXZDSMCZKLPGF-UHFFFAOYSA-N 299.305 3.501 30 20 CHED C[C@@H](NC(=O)C1(C#N)CCC1)c1ccc(C(F)(F)F)cc1 129172367 WHNWWOAUAGFNSR-SNVBAGLBSA-N 296.292 3.576 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 188417283 VHONWYQJKAXSGP-SFHVURJKSA-N 295.386 3.993 30 20 CHED C=CCC[C@H](C)NC[C@H](c1ccco1)N1CCCCC1 184857228 FTZGQSFMNLSYIN-JKSUJKDBSA-N 276.424 3.751 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(COC(C)C)c1 185272178 NGXYNMMBIWYTGE-UHFFFAOYSA-N 273.376 3.600 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)CCCSCC#N 74990818 MCVNQLDCFVOULN-MRXNPFEDSA-N 276.449 3.962 30 20 CHED CCCCCCCCCNC(=O)Cc1cncs1 189775828 SOXAZLQQFDKSTR-UHFFFAOYSA-N 268.426 3.552 30 20 CHED C=CCNC(=O)Nc1ccccc1-c1cccs1 43910975 LKRZBLHTEBGDHW-UHFFFAOYSA-N 258.346 3.723 30 20 CHED CC(C)CCCCC(=O)N(C)c1ccc(C#N)cc1 410529529 VKUJSUHCGOZLSS-UHFFFAOYSA-N 258.365 3.737 30 20 CHED CC(=O)c1ccc(F)cc1OCC#Cc1ccc(F)cc1 135316380 IPYFCMYYCGXTBA-UHFFFAOYSA-N 286.277 3.598 30 20 CHED C[C@H](NCc1cccc(C#N)c1)[C@@H]1C[C@H]1c1cccs1 417308926 FXGBKSSGCDRZSX-VBNZEHGJSA-N 282.412 3.902 30 20 CHED N#Cc1ccc(OCCN2CCC[C@H]2C2CCCC2)cc1 44352431 HVFKLPBSHQHZLG-SFHVURJKSA-N 284.403 3.592 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H]2CCCC[C@H]21 227271877 MICPTKZYORXJAC-DOTOQJQBSA-N 284.403 3.721 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412419998 HJGZZHWUZLMORY-UHOFOFEASA-N 284.403 3.603 30 20 CHED C=CCC[C@H](NCC[C@H]1CCCN(C)C1)c1ccco1 414178004 JPHPGVMAMJSREY-CVEARBPZSA-N 276.424 3.608 30 20 CHED O=C(/C=C/c1ccc(Br)s1)c1ccncc1 192763270 SJYMQCGWKLITEM-HNQUOIGGSA-N 294.173 3.802 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2CC[C@@H](C)C2)c1C1CC1 328949236 WLLVOCSBJFBSSJ-NEPJUHHUSA-N 290.411 3.619 30 20 CHED CCc1ocnc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329847206 PFUPDIBSFCJQAR-YNEHKIRRSA-N 276.380 3.901 30 20 CHED CC1CCC(C/N=C(/O)c2snc(O)c2Cl)CC1 328797747 WCIKOJHMIUGKDB-UHFFFAOYSA-N 288.800 3.633 30 20 CHED N#C[C@@H](C(=O)c1ccco1)c1nc(-c2ccccc2)cs1 41536138 MFFNYARQYWIYNW-LBPRGKRZSA-N 294.335 3.893 30 20 CHED COc1cc(Oc2nc3ccccc3o2)ccc1C#N 195314975 CVKYTMIKDFAZMO-UHFFFAOYSA-N 266.256 3.500 30 20 CHED CCOCc1ccc(Nc2cc(C)ncc2C#N)cc1 425229132 KZFNFPPEFCBATB-UHFFFAOYSA-N 267.332 3.542 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 84710980 AEUDSSBHXLCYTM-GXFFZTMASA-N 299.292 3.729 30 20 CHED Cc1cc(C#N)cc(N[C@H]2CCO[C@H](c3ccccc3)C2)n1 329387939 QJNKDZFKXVMGGI-IRXDYDNUSA-N 293.370 3.594 30 20 CHED O=C1C(=Cc2cc(Cl)cs2)C(=O)c2ccccc21 195332820 KOQWVUSCCNBKKD-UHFFFAOYSA-N 274.728 3.864 30 20 CHED C=CCC(C)(C)C(=O)NCCSc1ccc(C)cc1 429953636 ZLFAPRYXFCNGTJ-UHFFFAOYSA-N 277.433 3.806 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1OC)c1ccccc1 130301468 BOSSZGQGZCFLGP-KRWDZBQOSA-N 280.371 3.808 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H]1CCCS1)c1ccccc1 133949701 DLQFEQYJRZXBSL-CABCVRRESA-N 275.417 3.706 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2cc(F)ccc21 424606983 ZHRAITBNVBGHFX-CQSZACIVSA-N 261.340 3.532 30 20 CHED N#CCCN[C@@H](CCc1ccccc1)Cc1ccccc1 425959050 INOYOQICEJSAAU-IBGZPJMESA-N 278.399 3.734 30 20 CHED Cc1cccc(NC(=O)CSc2ccc(C#N)cc2)c1 337914693 NMJWEKHFCSKIGC-UHFFFAOYSA-N 282.368 3.598 30 20 CHED N#C[C@H](OC(=O)c1ccc(-c2ccccc2F)o1)C1CC1 80412338 QUBGKKAOIIGXHN-HNNXBMFYSA-N 285.274 3.545 30 20 CHED CCCn1c(C(=O)O[C@H]2CC[C@H](C#N)C2)cc2ccccc21 191596292 WMDPPYRVUVCHDV-ZFWWWQNUSA-N 296.370 3.900 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 510322604 VDNOYEJCXRYCDY-BMIGLBTASA-N 293.436 3.558 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H]2CSC[C@H]2C)CCCC1(C)C 510266328 XZRGCUOMQDYQAZ-RDBSUJKOSA-N 296.480 3.514 30 20 CHED C[C@H]1CCN(Cc2cc(C#N)n(C)c2)[C@@H]1c1cccc(F)c1 191413609 CNDJTCWSOOTVHG-UGSOOPFHSA-N 297.377 3.619 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2ccccc2n1 424315548 AEFZJDDQQOKNKN-KCQAQPDRSA-N 265.360 3.578 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCc2c1cc(F)c(F)c2F 425612257 UKYFQMJIPIWSNY-UHFFFAOYSA-N 297.320 3.985 30 20 CHED CCCCC1CCC(NC(=O)C2(C#N)CCC2)CC1 332415920 BXLUERFJQSYJDT-UHFFFAOYSA-N 262.397 3.545 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1ccc(F)c(F)c1 330769032 YWSMDHPQURPONA-AWEZNQCLSA-N 266.291 3.598 30 20 CHED CC(C)(C#N)CC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 334332387 QORQTHLAMQWSIM-HNNXBMFYSA-N 284.403 3.578 30 20 CHED CC1(C)[C@H]2CC[C@H](NC(=O)Nc3ccc(CC#N)cc3)[C@H]1C2 519392093 RTQJLTDIZVCIGO-IMJJTQAJSA-N 297.402 3.699 30 20 CHED C=CC[C@H](CO)CNCc1ccc(-c2ccccc2)s1 537021720 JXBQOPFKVNVVSQ-AWEZNQCLSA-N 287.428 3.689 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@H](C(C)C)C1 435729584 DNECFVOGWXYZCJ-HZMVEIRTSA-N 265.441 3.772 30 20 CHED COc1cccc([C@H](C)/N=C(/O)N[C@@H]2CCCC[C@H]2C)c1 330470244 AKJJBAKINYHZNI-DVOMOZLQSA-N 290.407 3.839 30 20 CHED C=CCOc1ccc(CN(C)CC(F)F)cc1Cl 92508825 PADKWZCUFGXBNX-UHFFFAOYSA-N 275.726 3.602 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1ccc(Cl)cc1C#N 435593053 ORLLQOQYMNZKLK-XHDPSFHLSA-N 276.767 3.605 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCC[C@H](C)C1 432304128 VLDYWGPSERHHAB-GXTWGEPZSA-N 285.391 3.815 30 20 CHED CCN(C(=O)[C@@H](C)C1CC1)c1ccc(C#N)c(Cl)c1 91206567 VEUPXWVEYUEWSU-JTQLQIEISA-N 276.767 3.611 30 20 CHED CCOc1cc(F)ccc1NC(=O)c1ccc(CC#N)cc1 340119009 DTBKYLFPXURBEQ-UHFFFAOYSA-N 298.317 3.543 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CCC)c1ccc(Cl)cc1 540393443 JTNJDIDOCWRLHW-CJNGLKHVSA-N 281.827 3.955 30 20 CHED C[C@H](CC#N)N(C)[C@@H]1CC[C@](C)(c2ccccc2)C1 249775430 KGLCGJMICRGHQZ-OIISXLGYSA-N 256.393 3.731 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[C@@H](C)C[C@H]1CC 436294949 PMHKYAGUEROJAV-HHARLNAUSA-N 265.441 3.772 30 20 CHED C=C(Br)CN(C)Cc1ccc(Cl)s1 52439938 CAHQUNWVXJSYNS-UHFFFAOYSA-N 280.618 3.742 30 20 CHED N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc(F)c(C2CC2)c1 341412320 SNNQOTITAUHBLQ-UHFFFAOYSA-N 298.277 3.622 30 20 CHED C[C@H]1CCC[C@@H](C)N(Cc2cc(C#N)ccc2F)C1 525641007 OLBFHOSFBGGRHV-QWHCGFSZSA-N 260.356 3.708 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cccc(OC(F)F)c1 430724828 OZCSIZBKSHZAQT-NSHDSACASA-N 280.318 3.632 30 20 CHED COCc1ccc(NCc2cc(C)ccc2OC)cc1C#N 527765683 YLIYEGBHZSQYJR-UHFFFAOYSA-N 296.370 3.634 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2sccc2C)cc1 255896947 SVHPBSOKNRBKFJ-YVMONPNESA-N 286.352 3.739 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 602563917 IBBOYRQNEJHINX-ZHALLVOQSA-N 299.462 3.569 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H]1CCCSC1 340935235 HWNZVWAIPQWESC-SNVBAGLBSA-N 266.797 3.767 30 20 CHED Cc1c(Cl)c(CN[C@@H](C)CC#N)nc2ccccc12 602862917 KWXAZUYTUDEDEC-JTQLQIEISA-N 273.767 3.588 30 20 CHED CCc1noc(CC)c1C/N=C\c1cc(Cl)ccc1O 255070995 VRXWBIVFFPYZRT-IUXPMGMMSA-N 292.766 3.778 30 20 CHED N#CC[C@H](Cc1nc(CCC2CC2)no1)c1ccccc1 346787752 CJYPMOJPOYKSSL-OAHLLOKOSA-N 281.359 3.652 30 20 CHED C=CCN1CCC(N[C@H]2CCCc3c(C)ccc(C)c32)CC1 349788217 KSUIXQVWCSXTPI-IBGZPJMESA-N 298.474 3.921 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)c1ccco1 252623159 OLGQAKIYYSJBGL-UHFFFAOYSA-N 269.329 3.849 30 20 CHED aggregator C#C[C@@H](CCC)NC(=O)CCSc1ccc(Cl)cc1 700589696 PXPPVVLGXBWHKV-ZDUSSCGKSA-N 295.835 3.740 30 20 CHED N#C[C@@H](Sc1ccccc1Br)C1CC1 601074296 OBQDHXNXLBXEEA-LLVKDONJSA-N 268.179 3.843 30 20 CHED C=Cc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1 340363936 RUUAVRUFLBYOGR-ZDUSSCGKSA-N 268.341 3.585 30 20 CHED C=CCCC(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 522573827 KZUPDYYMWSKEOS-HNNXBMFYSA-N 289.419 3.877 30 20 CHED COc1ccc([C@@H](C)NC2CCC(C)(C#N)CC2)cc1 449109214 XISZVDORIVFDQZ-BZOOQXSSSA-N 272.392 3.818 30 20 CHED CC1(C)CCCN(Cc2ccn(C3CCCC3)n2)[C@H]1C#N 444724751 LDOPPMWFJKMJRB-INIZCTEOSA-N 286.423 3.512 30 20 CHED COCc1cccc(/C=C2/Cc3ccc(C)cc3C2=O)c1 255600990 ZNGZBPCOSUEFCX-YVLHZVERSA-N 278.351 3.964 30 20 CHED CCN(Cc1ccnc(C)c1)[C@@H](C)c1ccc(C#N)cc1 527535058 USMIUZWUYNDYSS-HNNXBMFYSA-N 279.387 3.845 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCOCc1ccccc1 255132071 IJVUPBJFZMNJMM-WQRHYEAKSA-N 289.762 3.681 30 20 CHED N#Cc1cccc(S[C@@H]2CCO[C@@H](c3cccnc3)C2)c1 600529363 MPVMYHUWOYWZFB-IAGOWNOFSA-N 296.395 3.966 30 20 CHED C=CCCCC(=O)NCc1cc(F)ccc1SC 359525078 LWQDBCRNTMMREJ-UHFFFAOYSA-N 267.369 3.520 30 20 CHED Oc1ccccc1/C=N\C1CCN(C2CCCCC2)CC1 254988721 MLEHEOLYVVDKRA-RGEXLXHISA-N 286.419 3.608 30 20 CHED C=CCN(Cc1cccs1)[C@@H](C)c1ccccn1 354218589 OJALGHQHGPAPRA-ZDUSSCGKSA-N 258.390 3.892 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1 353549427 DNRYOPJHYKXDCJ-BBRMVZONSA-N 299.418 3.572 30 20 CHED C=C(C)Cn1ccc(-c2ccc(Br)cc2)n1 538940608 NTFXFNCHOANFPP-UHFFFAOYSA-N 277.165 3.889 30 20 CHED C=CCN(CCc1c(F)cccc1Cl)C1CC1 537854478 DNEFRTZIUGZUNH-UHFFFAOYSA-N 253.748 3.672 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 446821531 PUNYSIILSCKXKJ-LOUJCGABSA-N 290.382 3.574 30 20 CHED C=CCCC1(C(=O)N2CC3(CC3)c3ccccc32)CC1 356162754 FKAFOAKODYGZKF-UHFFFAOYSA-N 267.372 3.811 30 20 CHED C=C(C)CCNC(=O)c1cc(Cl)ccc1Cl 448550683 HBTOGAFGDXYLRY-UHFFFAOYSA-N 258.148 3.689 30 20 CHED CCCC[C@@H](CCC)CNC(=O)N1CCC[C@](C)(C#N)C1 612137737 CKVAWFXMKUWINP-NVXWUHKLSA-N 293.455 3.928 30 20 CHED C=CCC1(NC(=O)CCCC2CCCCC2)CCOCC1 618245408 WQCNVRVMVNOGFN-UHFFFAOYSA-N 293.451 3.979 30 20 CHED C=CCC1(C(=O)NC/C=C/c2cccnc2)CCCCC1 615222015 SWDSISVBVCIOQW-VQHVLOKHSA-N 284.403 3.738 30 20 CHED C=CCCC(=O)Nc1nc(CC(C)(C)C)cs1 539538677 WPBLTMQTRDZRGS-UHFFFAOYSA-N 252.383 3.636 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1cccc3cccnc13)CC2 353386211 NEYGZJWVQFQNRO-LJQANCHMSA-N 299.377 3.884 30 20 CHED COc1ccccc1[C@@H]1CCCCN1CC1(C#N)CC1 611429808 YARQKDIDVRTKSL-HNNXBMFYSA-N 270.376 3.526 30 20 CHED CSc1cccc(NC(=O)N2CCC[C@@](C)(C#N)C2)c1 612290633 HKIAETOHLAWHMQ-HNNXBMFYSA-N 289.404 3.566 30 20 CHED Cc1cncc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 618802195 CZJZSNQKTFDALC-UGSOOPFHSA-N 277.371 3.600 30 20 CHED C=CCC1(CN[C@@H]2CCOC3(CCC3)C2)CCCC1 449606012 OVIMGIIEPSTQGA-OAHLLOKOSA-N 263.425 3.814 30 20 CHED C=CCN(C(=O)CCCc1cc(C)sc1C)C1CC1 357498357 UCHNEVDXYVTGBR-UHFFFAOYSA-N 277.433 3.865 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCCC[C@H]1SCC)OCC 534413192 CRCMCNAOROXUPS-SOUVJXGZSA-N 299.480 3.538 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)n(C2CCCCC2)n1 538447905 GCGPRUQPNDXOFZ-UHFFFAOYSA-N 289.423 3.735 30 20 CHED C=C(C)COCCNCc1ccccc1OC1CCCC1 531883770 RTWRIKSFWGHAPD-UHFFFAOYSA-N 289.419 3.690 30 20 CHED COc1cccc(CCCN2CCCC(C)(C)[C@H]2C#N)c1 444726978 JPYBMKPVQNXFDL-QGZVFWFLSA-N 286.419 3.642 30 20 CHED CC[C@@H](NCCOCCC(C)C)c1ccc(C#N)cc1 447564352 WSXWUVUVUCZQRA-QGZVFWFLSA-N 274.408 3.662 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 356629653 VQHASWQSXMGGGI-UHFFFAOYSA-N 284.281 3.785 30 20 CHED CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(C#N)c1 538268625 MFFGBGUUWOHMHG-CYBMUJFWSA-N 276.767 3.616 30 20 CHED C[C@@H](Nc1cccc2nc(O)oc12)c1cccc(C#N)c1 357290025 BSOAGGFDHARWOK-SNVBAGLBSA-N 279.299 3.578 30 20 CHED C[C@H](Cc1ccsc1)NCc1ccc(C#N)c(Cl)c1 619755581 MBFHKDPEVWWETI-LLVKDONJSA-N 290.819 3.994 30 20 CHED CC(C)CCN(C)Cc1ccc(C#N)cc1Br 611500504 WIQLHNUVDQTJCE-UHFFFAOYSA-N 295.224 3.799 30 20 CHED N#CCCN(Cc1cccnc1)C[C@@H]1C[C@@H]1c1ccccc1 361308549 AJPHCGBAAWJEHY-RBUKOAKNSA-N 291.398 3.601 30 20 CHED Cc1ccccc1O[C@H]1CCCC[C@H]1NCCCC#N 361772576 YRYANISBQBFFTJ-WBVHZDCISA-N 272.392 3.578 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1cccc(OC)c1 268196683 XPWWWCYZOPRXHO-CYBMUJFWSA-N 273.376 3.641 30 20 CHED CCc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 618741602 GWDMDVBJFWPVSW-QGZVFWFLSA-N 282.412 3.959 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(F)cc1C#N 531192237 DHKVRTXNFCABEB-NEPJUHHUSA-N 274.339 3.852 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1cccc(C2CC2)c1 453357783 NWFOCQVHHKAHJA-DYVFJYSZSA-N 259.393 3.542 30 20 CHED C[C@H](c1ccccc1)N(C(=O)CC(C)(C)C#N)C1CC1 278483243 KKCOWVAGKADQBW-CYBMUJFWSA-N 270.376 3.678 30 20 CHED C=C(C)CCN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 453325258 UNHWUWXBUKADNS-GFCCVEGCSA-N 272.392 3.533 30 20 CHED C=CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 617615229 DFGFFEPHWVGVBD-NWDGAFQWSA-N 284.186 3.789 30 20 CHED CC(C)(C#N)CCCN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 452040439 AMTDNUUKRZZMEA-WBTNSWJXSA-N 260.425 3.684 30 20 CHED CC(C)(C#N)CCN1C[C@H]2CCC(=O)c3cccc1c32 274290362 NXGBCTUHHITMDM-GFCCVEGCSA-N 268.360 3.507 30 20 CHED C=CCN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C1CC1 540472226 PCGJAKYNRYULRM-UHFFFAOYSA-N 293.794 3.674 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1c1ccc(C#N)nc1 450918125 ZLFWXNOKHHIQMN-KRWDZBQOSA-N 281.334 3.742 30 20 CHED CC(C)(C#N)CCCCOc1ccc(-c2nnco2)cc1 277746467 QRPJRRQMCNIUAZ-UHFFFAOYSA-N 285.347 3.835 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)CCSCC 540486760 GHILXRBBQUCYAD-CHWSQXEVSA-N 272.458 3.562 30 20 CHED C=CCC1(C(=O)N[C@@H](C2CC2)C(F)(F)F)CCCCC1 452115389 BHEOMRDWDPFGQS-LBPRGKRZSA-N 289.341 3.970 30 20 CHED C=CCC1(C(=O)N2CCCO[C@H](CC)C2)CCCCC1 451434200 GZCSIHNZZBWSBC-OAHLLOKOSA-N 279.424 3.541 30 20 CHED CC1(CN[C@H]2CCCCc3cc(C#N)ccc32)CC1 360662887 HHKRJDKJLFWICK-INIZCTEOSA-N 254.377 3.715 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)s1 279798044 NCPCZZCMRCAUKR-MRXNPFEDSA-N 286.375 3.926 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)C2(CCC2)C1 271495684 GCKAQQIFOUFCHY-CQSZACIVSA-N 297.402 3.911 30 20 CHED C=CCCN(C)C(=O)Cc1c(CC)oc2ccccc12 626616603 WHDNEPWJEAOYFT-UHFFFAOYSA-N 271.360 3.572 30 20 CHED C=CCCCCCN(C)C(=O)C[C@@H](C)c1ccco1 625758745 FDTAPEFTFOQOOK-CQSZACIVSA-N 263.381 3.978 30 20 CHED Cc1ccc(C(=O)Nc2cccc(CC#N)c2)c(C2CC2)n1 456736832 RHKOVNHQNXQJPW-UHFFFAOYSA-N 291.354 3.586 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCC1CCOCC1 360657652 OWLCGIKCCORNMO-LJQANCHMSA-N 298.430 3.732 30 20 CHED CC[C@@](C)(CN[C@@H]1CCCCc2cc(C#N)ccc21)OC 453303668 NNSZHZLDQNCIDR-MSOLQXFVSA-N 286.419 3.730 30 20 CHED C=C(C)CCSc1nnc(-c2cccs2)n1C 274786519 ZRYAHRXRPZPPGI-UHFFFAOYSA-N 265.407 3.602 30 20 CHED C=C(C)[C@H](Cc1nc(-c2cc(C)cc(F)c2)no1)OCC 546326270 CXOHVGGLMGUFIT-AWEZNQCLSA-N 290.338 3.708 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCCc1cccs1 272428297 PQJNQSPKWJVYKT-OAHLLOKOSA-N 278.421 3.515 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1CCc2c[nH]nc2C1 374560128 OEDHAEDVQXXNTI-OAHLLOKOSA-N 291.439 3.524 30 20 CHED Cc1cc(C#N)ccc1OCCCc1ccsc1 543947455 GEUACMOMWUDXSV-UHFFFAOYSA-N 257.358 3.940 30 20 CHED C=CCOc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(C)C3)cc1 620434249 QXRGEQYPKSLNGD-HOTGVXAUSA-N 285.387 3.655 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H](C#N)C(C)(C)C 464716177 ZQUKSWZKQSQHKL-GJZGRUSLSA-N 278.440 3.893 30 20 CHED C[C@H](C#N)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 461877628 NOAUULWNFXDWMM-WBMJQRKESA-N 298.773 3.705 30 20 CHED C=C[C@](C)(CC)C(=O)NCCSc1ccc(C)cc1 467505902 XZUSELKBZRIYBD-MRXNPFEDSA-N 277.433 3.806 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cc(C)cc(F)c2)no1 289971569 CWRYHKKSJLLMJD-ZIAGYGMSSA-N 288.322 3.633 30 20 CHED CC(C)Sc1ccccc1NC(=O)N1CC(C)(C#N)C1 280964485 LHFUKKCYSHHEDW-UHFFFAOYSA-N 289.404 3.564 30 20 CHED N#Cc1ccc(N2CCC(NC3CCCCCC3)CC2)cc1 556206928 PBGIGDMDFSACEM-UHFFFAOYSA-N 297.446 3.839 30 20 CHED C=CCCC1(c2nc(-c3cccc4nc(C)[nH]c34)no2)CC1 554836818 FSDAKZJAVSDTKO-UHFFFAOYSA-N 294.358 3.919 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](C)C2CCC2)s1 460020545 MPXQYAAUZXMWEB-SECBINFHSA-N 262.378 3.557 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](c2ccco2)C1 377726327 XIXKVIIRODBKBZ-XJKSGUPXSA-N 266.344 3.702 30 20 CHED C=CCCN(C)C(=O)[C@H](SCc1ccccc1)C(C)C 466645332 RMBCBMHTTNWOHO-MRXNPFEDSA-N 291.460 3.979 30 20 CHED Cc1nsc(N2CCc3cc(Cl)ccc32)c1C#N 554685135 QITNUEOTNUONME-UHFFFAOYSA-N 275.764 3.671 30 20 CHED C=C[C@@H](C)NC(=O)NCc1cccc(Oc2ccccc2)c1 464759378 XPRWAEOLPYLJNM-CQSZACIVSA-N 296.370 3.853 30 20 CHED Cc1cc(N2CCC(C)(C(C)C)CC2)cc(C#N)n1 557660215 HOHKFZXLXOKTJO-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1CCC(=O)[C@@H]1C 280780294 NKYJUKQTDOJSGQ-WBVHZDCISA-N 299.414 3.597 30 20 CHED Cc1nsc(Nc2cnn(C3CCCC3)c2C)c1C#N 289749906 UTAQQWCZMIESJR-UHFFFAOYSA-N 287.392 3.687 30 20 CHED CCC(CC)[C@@H](C)C(=O)NC1(c2cccc(C#N)c2)CC1 556498296 GQYCYJQBXCZPLR-CYBMUJFWSA-N 284.403 3.736 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)C(C)(C)C#N)CC(C)(C)C1 470180503 ODHXSPPJRMAUOM-OLZOCXBDSA-N 264.413 3.505 30 20 CHED CC(C)c1ccc(CSCCO[C@@H](C)C#N)cc1 801657874 RLANIUIIGKLJMU-ZDUSSCGKSA-N 263.406 3.972 30 20 CHED C[C@H](NCc1ccc(C#N)cc1Cl)c1cccc(O)c1 383603482 BXJJFYAHQDGNDW-NSHDSACASA-N 286.762 3.768 30 20 CHED C#CCC(C)(C)c1nc(Cc2ccccc2CC)no1 809476044 HGGXRFUZKMKSTR-UHFFFAOYSA-N 268.360 3.524 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H]1Cc1ccccc1 472837008 VSVPVKLAYSUDLL-QGZVFWFLSA-N 286.419 3.759 30 20 CHED C#C[C@@H](NC(=O)N(C)CCCC)c1ccc(Cl)cc1F 805778370 ABPZJOGGFDUKFK-CQSZACIVSA-N 296.773 3.595 30 20 CHED CC(C)c1nc(C(=O)/C=C\c2nc(Cl)cs2)co1 806557358 AHYWGUISKJTUPM-ARJAWSKDSA-N 282.752 3.804 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2c(F)cccc2F)c1 806558408 BOOYHVMVBXDYIC-FPLPWBNLSA-N 288.249 3.559 30 20 CHED N#Cc1nc(F)ccc1OCc1c(Cl)cccc1Cl 808047213 SIRAASCIRBJSDQ-UHFFFAOYSA-N 297.116 3.978 30 20 CHED C#CCC(C)(C)c1nc([C@@H](C)c2cccc(OC)c2)no1 809357810 JDZKXKHABJOGPG-LBPRGKRZSA-N 284.359 3.531 30 20 CHED CC(C)(CNC(=O)CCCC#N)c1cccc(Cl)c1F 291888216 JULZYVZAZAGIMB-UHFFFAOYSA-N 296.773 3.567 30 20 CHED Cc1noc(C)c1C[C@@H](C)Nc1cccc(Cl)c1C#N 297034469 HNMDIKXHCWSXPD-SECBINFHSA-N 289.766 3.860 30 20 CHED Cc1ccnc2ccc(C(=O)OCCC(C)(C)C#N)cc12 803869617 FSIWBLICVQZLSM-UHFFFAOYSA-N 282.343 3.640 30 20 CHED CCCc1ccc2nccc(N3CCC(C#N)CC3)c2c1 295464434 IDRJKJHFSRPOIA-UHFFFAOYSA-N 279.387 3.927 30 20 CHED Cc1nn(C)c2sc(C(=O)/C=C/c3ccsc3)cc12 806578927 PHJNIJGZMGIGMN-ONEGZZNKSA-N 288.397 3.901 30 20 CHED CC(C)[C@@H]1OCCC[C@H]1CN[C@H]1CCc2ccc(C#N)cc21 564427579 LUYWEBNIWFQCPE-WDSOQIARSA-N 298.430 3.586 30 20 CHED CCOc1ccc(O)c(/C=N\[C@@H]2c3ccccc3O[C@@H]2C)c1 809145238 ZJZMXMSXJDPJRQ-BVLCAIDUSA-N 297.354 3.732 30 20 CHED C#CCCCCC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 807886386 QGJFVRIEBIOZIN-CABCVRRESA-N 263.425 3.853 30 20 CHED C=CCCCCS[C@H](C)C(=O)NC(C)(C)CC 567337702 PHIIGRCGNIYSJL-GFCCVEGCSA-N 257.443 3.769 30 20 CHED C=CCC[C@@H](C(=O)NCC(C)(F)F)c1ccccc1 647259263 AMKCTSGJVSXBEJ-CYBMUJFWSA-N 267.319 3.508 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(c3ccc(C#N)nc3)C2)cc1 486470739 ZGIMNFVATXIYQD-HOCLYGCPSA-N 277.371 3.644 30 20 CHED C=CC[C@H](CC)NC(=O)NC1(c2ccccc2C)CC1 645490384 JGROESHXDYPLBP-AWEZNQCLSA-N 272.392 3.638 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N[C@@H](C#N)C(C)C 489812869 UCSFHNFPTLEQQU-DZKIICNBSA-N 284.403 3.640 30 20 CHED CC[C@H](C)c1ccc(OC(=O)c2cccc(C#N)n2)cc1 810525283 ZUIDPPZHTAXCET-LBPRGKRZSA-N 280.327 3.686 30 20 CHED Cc1ccc([C@H](C)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)o1 819736980 RPBXZOSCGNQWIP-UONOGXRCSA-N 296.370 3.783 30 20 CHED CC(C)CC(=NN[C@H](C)c1ccncc1)c1ccccn1 819816971 TVBGQBORQIJCJP-CQSZACIVSA-N 282.391 3.578 30 20 CHED CC(C[C@H]1CCOC1)=NNc1cc(Cl)nc(Cl)c1 819828960 WSFGVCSGPOFPLM-SECBINFHSA-N 288.178 3.603 30 20 CHED C#CCCCCC(=O)Nc1ccc(-c2ncco2)cc1C 816716286 GBRAQGAIZZUMBZ-UHFFFAOYSA-N 282.343 3.782 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1cc(C)ccc1O 814945070 JVSPHKAAVXGDHS-UHFFFAOYSA-N 294.276 3.954 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)[C@H](C)OC)cc1 810258467 WBNSNVMHCARSDX-MCIONIFRSA-N 297.826 3.892 30 20 CHED C=CCC(C)(C)c1noc(CN(C)CCCCCC)n1 815706007 LZDAVEGRTVNSHM-UHFFFAOYSA-N 279.428 3.935 30 20 CHED C=CCCOCCN[C@H](C)c1cc2ccncc2s1 657930096 CAOKOIROOGZEOK-GFCCVEGCSA-N 276.405 3.540 30 20 CHED CCc1cnc(C=NNc2ccc(Cl)c(F)c2)s1 814862356 LAVMOCHRBVWGHE-UHFFFAOYSA-N 283.759 3.944 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2c(cnn2C(C)C)c1 652548168 IEFSIDVRLGBLRL-UHFFFAOYSA-N 286.379 3.705 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccc(C)cc1O 814945688 LIJVXNAKNWPXNK-UHFFFAOYSA-N 294.276 3.954 30 20 CHED C=CCCCCCNC1(C(=O)NCCC)CCCCC1 488116557 XONONUYHCFEUTJ-UHFFFAOYSA-N 280.456 3.552 30 20 CHED CCOc1ccc(/C=C\c2ncccc2C#N)cc1F 486072256 CHDBRXKWOCKFSC-ALCCZGGFSA-N 268.291 3.661 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C(C)C)nc1CC)C(C)(C)C 816702138 ZTAKFJZTUVWBDS-MRXNPFEDSA-N 286.419 3.545 30 20 CHED C=CCCC1(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)CC1 483639516 PBZCRWLVPDCCMS-HNNXBMFYSA-N 298.430 3.852 30 20 CHED CCC/C(C)=C\C(=O)O[C@H](C)c1cccc(C#N)c1 727635985 QIGFQRPVOXCUGA-KIWPFMIBSA-N 257.333 3.909 30 20 CHED C=CCC(C)(C)CNC[C@H](O)c1ccc(Cl)c(F)c1 819331392 SOXIDZAWMXMRRW-AWEZNQCLSA-N 285.790 3.704 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(C)cc1 488812157 DZVFDRXHXJGSOB-NVXWUHKLSA-N 271.404 3.741 30 20 CHED COc1cccc(NN=C[C@H](C)c2ccccc2)c1 725853000 BIKUTQUIWYMISV-ZDUSSCGKSA-N 254.333 3.897 30 20 CHED COc1cccc(O)c1C=Nc1cccc2c1ccn2C 726889702 GKKFHHUVQJIQJK-UHFFFAOYSA-N 280.327 3.643 30 20 CHED Cc1ccc(NN=C2C[C@H](C)CC[C@@H]2C(C)C)nn1 729936537 VDGLVNWUXHRETK-DGCLKSJQSA-N 260.385 3.645 30 20 CHED C#Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)cn1 728817193 HDNNELSMKLCWPD-PBHICJAKSA-N 298.430 3.645 30 20 CHED CC(C)C#CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 820954661 FNWLLBCYVAQXLX-OAHLLOKOSA-N 275.779 3.663 30 20 CHED C=CCOCC(=O)N[C@H](c1ccccc1)C1CCCCC1 729318579 VDCHTLDZWAYAQC-GOSISDBHSA-N 287.403 3.627 30 20 CHED CCCC[C@H](CCC)N[C@H](C(=O)O)c1ccc(C#N)cc1 829287146 ZGTFTGQMARXXMH-HOTGVXAUSA-N 288.391 3.632 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1cnccc1C(C)(C)C 822656568 BJOARUQTSRUZPI-ZDUSSCGKSA-N 274.408 3.598 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCc3cc(OC)ccc32)c1 825227541 ULPGJMIKBMSRMQ-HXUWFJFHSA-N 291.394 3.844 30 20 CHED C=CCC1(C(=O)NCC(C2CC2)C2CC2)CCCC1 573554406 CEDSSFPWOKCKFF-UHFFFAOYSA-N 261.409 3.675 30 20 CHED N#CC1(CN[C@@H](CC2CC2)c2ccccc2)CCC1 828688061 RDYSDHWGLSPYFE-INIZCTEOSA-N 254.377 3.811 30 20 CHED C=CCCC1(C(=O)Nc2cccc3c(OC)ccnc23)CC1 579186145 LRKHAWYLAVZWFJ-UHFFFAOYSA-N 296.370 3.928 30 20 CHED C=CCC[C@H](CCC)NCc1cccc(C(=O)O)c1 666583057 IXBUKFPOWJSRNZ-HNNXBMFYSA-N 261.365 3.609 30 20 CHED N#CCCC1CCN(CCSCc2ccccc2)CC1 584837292 CUAXWQCIZOUPHQ-UHFFFAOYSA-N 288.460 3.936 30 20 CHED N#CC1(CCCOc2cc(Cl)ccc2F)CCOCC1 499979785 ZMNXOIGFTQVVLW-UHFFFAOYSA-N 297.757 3.958 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(N(C)C)cc1C 665558724 JNMAQQDOIACLNF-UHFFFAOYSA-N 289.423 3.927 30 20 CHED C#CCCOc1ccc(CNC[C@H]2CCCC2(F)F)cc1 824798296 CCXITBRAGXYPMR-OAHLLOKOSA-N 293.357 3.614 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)/C(F)=C(/C)C1CC1 900417644 HGLMAOMVDIEHII-GHRIWEEISA-N 298.361 3.726 30 20 CHED Cc1ccc(C)c(OCCSc2cccnc2C#N)c1 584361423 PNTJHVPCGDNZGK-UHFFFAOYSA-N 284.384 3.741 30 20 CHED Cc1cc(SC[C@@H]2CCCC[C@@H]2O)ccc1C#N 584052808 HFORCPALIFNOKG-ZFWWWQNUSA-N 261.390 3.510 30 20 CHED CC(=NNc1c(F)cccc1F)c1cccc(C#N)c1 735615873 ZCRFQMRTIIJOQC-UHFFFAOYSA-N 271.270 3.673 30 20 CHED N#CCCCCCC(=O)Nc1ccccc1OC(F)F 588748565 DECYYVAKYJUZEA-UHFFFAOYSA-N 282.290 3.701 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1OCCCC 736962673 QGRASTSJRGEXKO-UHFFFAOYSA-N 282.771 3.740 30 20 CHED CCO[C@@H]1CCCC(=NNc2ccc3ccccc3n2)C1 905418655 JLDDFKGGMHHARH-OAHLLOKOSA-N 283.375 3.982 30 20 CHED CCN(CCC#N)C(=O)C1(c2cccc(C)c2)CCCCC1 492147842 LSEVQAYJIHHXFE-UHFFFAOYSA-N 298.430 3.959 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc(F)c(F)c1 901317151 DYVNPMDJEFMGBP-UHFFFAOYSA-N 251.280 3.692 30 20 CHED C=CCCCOC(=O)c1ccccc1OC1CCC1 735732738 GXFWUTXWELNCOA-UHFFFAOYSA-N 260.333 3.741 30 20 CHED Cc1ccccc1CCN(C)Cc1ccc(OCC#N)cc1 830384012 VMGHDVMQZWHFFN-UHFFFAOYSA-N 294.398 3.572 30 20 CHED CC(=NNc1cc(Cl)ccc1C)c1cc2n(n1)CCC2 901318734 YMHFHURFAMSXGQ-UHFFFAOYSA-N 288.782 3.627 30 20 CHED CC[C@H]1CCCC1=NNc1ccc(F)c(C(=O)OC)c1 835011901 OEIIUEAMKFRJRN-JTQLQIEISA-N 278.327 3.590 30 20 CHED C=CCC[C@H](NC[C@@]1(C)CC1(Cl)Cl)C1CC1 834884325 KPPBTOZVPMOSBO-NWDGAFQWSA-N 262.224 3.905 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCO[C@H](CC)C1 666238493 AUZFMPFDQFREHJ-KZNAEPCWSA-N 273.420 3.721 30 20 CHED CCCCCCCC(=O)Nc1cccc(C(=O)O)c1OC 908508675 XGDZDDAQDHYLLQ-UHFFFAOYSA-N 293.363 3.692 30 20 CHED C=CC[C@@H]1CCCN(c2nc3ccccc3cc2CO)C1 664253131 IDJUWAJUEBTROP-CQSZACIVSA-N 282.387 3.520 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@H](CC(C)C)C1)C(=O)O 901691262 USYMWHKAMQATCY-ILXRZTDVSA-N 267.413 3.600 30 20 CHED CC(C)c1cccc(NC(=S)N2CCC[C@H](C#N)C2)c1 905640678 LZPLWZYKVKEXDP-CYBMUJFWSA-N 287.432 3.742 30 20 CHED Cc1ccc(F)c(C=NNc2ncccc2Cl)c1 734979126 BODFBOPTJIJUHC-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2c(C)oc(C)c2C)cc1 589900949 UXBWNNZZKRLDCB-INIZCTEOSA-N 296.370 3.762 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ccncn1)CCCO2 835002411 QCCICCQLDDFILJ-UHFFFAOYSA-N 296.374 3.589 30 20 CHED CCCSCC(C)=NNc1nccnc1C(C)C 901231481 KAWIJMVKDNAIDQ-UHFFFAOYSA-N 266.414 3.531 30 20 CHED Cc1cc(/C=C2/Cc3cc(F)ccc3C2=O)cc(C)c1O 734305454 VYAKWSPRQNEGJM-AUWJEWJLSA-N 282.314 3.971 30 20 CHED C=CCCCOC(=O)C1(c2ccc(OC)cc2)CCC1 735535058 REFRVCADPCRZTD-UHFFFAOYSA-N 274.360 3.626 30 20 CHED C=CCOc1cccc(CN[C@H](C)c2cnccc2C)c1 678361488 DFEZWNPLDFYNKF-OAHLLOKOSA-N 282.387 3.806 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2sccc2C)c1 914558377 VGPXHDZBWJTDMD-CXUHLZMHSA-N 275.373 3.780 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@H](C#N)C(C)C 732096901 AJYMEJBYIYHLOW-ZIAGYGMSSA-N 252.402 3.647 30 20 CHED Cc1cc(C)c(C#N)c(SCC(F)(F)C(F)F)n1 733871013 XJFVFHOREKSQTL-UHFFFAOYSA-N 278.274 3.563 30 20 CHED N#CCOc1ccc(CSc2ccccc2)cc1 731155889 AOOLSWGENSFKPP-UHFFFAOYSA-N 255.342 3.881 30 20 CHED N#Cc1cccc(NN=Cc2ccc(Cl)s2)c1 839412136 ZTOUPBBZRSQPDG-UHFFFAOYSA-N 261.737 3.719 30 20 CHED COCCOc1ccc(C(C)=NNc2ccccc2)cc1 915933028 IYGDJVOJKBBGRN-UHFFFAOYSA-N 284.359 3.548 30 20 CHED CC(CC(C)(C)C)=NNc1nncc2ccccc12 834920780 NZDQCUWGXHRHEP-UHFFFAOYSA-N 256.353 3.854 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](c1ccccc1Cl)C(C)C 593471962 LDCMINDFLMLXET-FZMZJTMJSA-N 278.783 3.703 30 20 CHED N#Cc1ccc(CNC/C=C/c2ccc(F)cc2)cc1 747916010 NWOZRHYLVGHUGX-OWOJBTEDSA-N 266.319 3.500 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1c1cc(C#N)cnn1 596117898 KQEGWBNHSIKNPI-IAGOWNOFSA-N 292.386 3.511 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 593958342 JWJPEWYULBXGCC-HDMKZQKVSA-N 298.430 3.774 30 20 CHED CCCCCCCC(=O)N(C)[C@@H]1CCN(CC)[C@@H](C)C1 740841640 VIUCTPOEJBVSPT-JKSUJKDBSA-N 282.472 3.678 30 20 CHED CCCCCCCCCNC(=O)N1CCC(OC)CC1 916194290 RTHNGZREKCXSPY-UHFFFAOYSA-N 284.444 3.557 30 20 CHED CCCCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 743519469 DABDNOOQXFGGMG-ZIAGYGMSSA-N 287.407 3.887 30 20 CHED CCCON=C(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 842551770 DAFGRVFFVUAZRW-NSHDSACASA-N 264.325 3.576 30 20 CHED N#Cc1ccc(NN=C2CSCc3ccccc32)cc1 915962925 XPYRRGMOLPRFEO-UHFFFAOYSA-N 279.368 3.621 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(F)cc1F 747061213 DRUVWYGHGUMMHE-UHFFFAOYSA-N 291.257 3.627 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(C)[C@H](C#N)CC)cc1 594089587 PPXPWGGOIDSNJQ-CJNGLKHVSA-N 272.392 3.503 30 20 CHED CC[C@@H](C#N)C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 593741873 SDWOOXUXJNEYRL-HOCLYGCPSA-N 282.387 3.680 30 20 CHED N#C[C@@]1(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC12CCCC2 598892102 BHNNSQXJZCDBDO-RLFYNMQTSA-N 286.419 3.642 30 20 CHED C#CCCCNC(=O)Nc1cc(Cl)c(C)c(Cl)c1 743129358 VQYLPTTZZMSLCF-UHFFFAOYSA-N 285.174 3.837 30 20 CHED CC(C)=CCCC(C)=NNc1ccc([N+](=O)[O-])cn1 749157211 CMGRBUNMASJIQF-UHFFFAOYSA-N 262.313 3.524 30 20 CHED CC#CCCNC(=O)N(CC)[C@@H](CC)c1ccccc1 681544396 YHNCBSYMDFZXDR-INIZCTEOSA-N 272.392 3.583 30 20 CHED C#CCSCCNC(=N)Nc1ccc([C@H](C)CC)cc1 849099441 MIGGWUKHWYEAMS-CYBMUJFWSA-N 289.448 3.503 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1)c1cccc(O)c1 747697421 YSQOUOFCWSXUOX-BQJQTIKASA-N 268.287 3.984 30 20 CHED CC[C@@H](CC#N)NCCCc1ccc(Cl)cc1 594009367 FYNAXKFIGXTNSN-AWEZNQCLSA-N 250.773 3.554 30 20 CHED C=C(C)COC(=O)[C@@H](C)CCc1ccccc1F 744040940 VRRWLCMLTQCENW-LBPRGKRZSA-N 250.313 3.514 30 20 CHED CCC(C)(C)CC(=O)[C@@H](C#N)c1nc2ccccc2n1C 745948346 KUOJSEDXPWXSTR-GFCCVEGCSA-N 283.375 3.576 30 20 CHED C[C@@H]1OCC[C@@H]1NCc1cccc(-c2ccc(C#N)s2)c1 747869619 MKHVAEBMLGYHGB-LRDDRELGSA-N 298.411 3.554 30 20 CHED Cc1ccc([C@H](C)C(=O)OCc2ccc(C#N)cc2C)o1 748906794 OQAGYYWTCNGFHL-ZDUSSCGKSA-N 283.327 3.615 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(OC3CC3)c2F)no1 849248514 UBEBZHSQZVQQQA-YVMONPNESA-N 287.290 3.559 30 20 CHED COc1ccc(CNCC[C@@H]2CCCC[C@@H]2C)cc1C#N 742371086 HPEBTIGUNRDXPP-HOCLYGCPSA-N 286.419 3.873 30 20 CHED C#CCCOc1ccc(CNC2(C3CCC3)CC2)cc1 846054776 GAJJKSDJMXACPU-UHFFFAOYSA-N 269.388 3.511 30 20 CHED CCCCCCCC(=O)NCc1ccc(OC)cc1F 758622371 XECRYRWENVBVTH-UHFFFAOYSA-N 281.371 3.811 30 20 CHED CC[C@H](/N=C\c1cccc(OC)c1O)c1ccc(OC)cc1 920947886 XPGJKJSSMDBIHN-JJBLJPBOSA-N 299.370 3.980 30 20 CHED C=CCOc1ccc(CNC[C@@H]2CC2(Cl)Cl)cc1 920956714 PEEMMTZWHZCEOY-LBPRGKRZSA-N 286.202 3.535 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cccc(O)c1)C2=O 921263319 BKNIMZQHHCHSCF-ZSOIEALJSA-N 250.297 3.523 30 20 CHED C#CC[C@@H](NC(=O)c1cccc(OCC)c1)c1ccccc1 757598974 LSKFHVAURLWAHT-GOSISDBHSA-N 293.366 3.580 30 20 CHED CCc1ccc(/C=C\C(=O)c2cc(O)cc(O)c2)cc1 753716765 GDGXDTKEUVOSCI-FPLPWBNLSA-N 268.312 3.556 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccc(Br)cc1F 758369470 GSLQKYCUVRQKSS-SFYZADRCSA-N 271.133 3.642 30 20 CHED C=CC[C@H](NC(=O)/C=C1\CC[C@H](C)C1)c1ccncc1 753617067 IOJDODLEEWNLSH-XRUBZXBOSA-N 270.376 3.561 30 20 CHED C=CC[C@H]1CCCN(C(=O)CC[C@H]2CC2(Cl)Cl)C1 855436860 MOPGEYFFTHLVMH-RYUDHWBXSA-N 290.234 3.775 30 20 CHED N#Cc1ccc(N[C@@H]2CC3(CCC3)Oc3ccccc32)nc1 757785588 DJQMGHIRWMNKGO-OAHLLOKOSA-N 291.354 3.812 30 20 CHED COc1cc(F)cc(NN=Cc2c[nH]c3ccccc23)c1 759210005 LXSUXTOCWPZQBU-UHFFFAOYSA-N 283.306 3.762 30 20 CHED O=C(O)c1ccccc1NN=Cc1cc(Cl)ccc1F 753694261 CQOJSOOQEDHCJK-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C#Cc1ccccc1C(C)=NNc1ncnc2ccsc12 753714173 LWXGZFHEHVBXCZ-UHFFFAOYSA-N 292.367 3.509 30 20 CHED CC(=NOCC(F)F)c1oc2ccccc2c1C 758912200 UPKKVPYAYLRUOU-UHFFFAOYSA-N 253.248 3.747 30 20 CHED C=CCCO[C@@H](C)C(=O)N(c1ccc(C)cc1)C(C)C 751129208 VBYAVMAOFGWZIJ-HNNXBMFYSA-N 275.392 3.718 30 20 CHED C(=NOC1CCOCC1)c1ccc(-c2cccs2)cc1 853334870 SUYQSNIIOVZPEB-UHFFFAOYSA-N 287.384 3.945 30 20 CHED COCC(C)(C)C=NNc1nc2ccccc2cc1C 754960762 GVHJNUQDVOTRKI-UHFFFAOYSA-N 271.364 3.614 30 20 CHED CC(C)Oc1cccc(/C=C2\Oc3cc(O)ccc3C2=O)c1 921266104 VWBPDASORHEHSN-MFOYZWKCSA-N 296.322 3.796 30 20 CHED C#C[C@H](CC)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 754379105 HKCGRXNFDBRWNW-BXUZGUMPSA-N 297.320 3.727 30 20 CHED CCCCCCCCC/C=C\C(=O)Nc1nnc(C)n1C 753132265 WBRUQBCOVQUIBM-SEYXRHQNSA-N 292.427 3.759 30 20 CHED C[C@@H]1CCCC[C@@H]1N1CCC(=NO[C@H]2CCCCO2)CC1 755816388 FLPLKWDQGNGHMF-PVAVHDDUSA-N 294.439 3.560 30 20 CHED C#CC[C@@H](NC(=O)N(CC)[C@H](C)C(C)C)c1ccccc1 757779869 XOSKTRONIAWOHH-NVXWUHKLSA-N 286.419 3.827 30 20 CHED Cc1cc(-c2ccccc2)ccc1NC(=O)NC[C@H](C)C#N 757199180 QLEFFWHZCHYFGJ-CYBMUJFWSA-N 293.370 3.943 30 20 CHED CCCn1nccc1/C=C/C(=O)c1sccc1C 853006505 SYLGDTKPAFVJNX-SNAWJCMRSA-N 260.362 3.559 30 20 CHED C#CC[C@H](CCOC)N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 862548371 DPTPNNINCDCPOF-JKIFEVAISA-N 293.838 3.850 30 20 CHED CCCCCC1=CCCC1=NNc1ncc(F)cn1 760252909 AEPXHIXZVUJLGN-UHFFFAOYSA-N 262.332 3.684 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc2sccc2c1 765629623 ACJLIVWDATXNNO-CYBMUJFWSA-N 273.357 3.996 30 20 CHED CCC1(C(=O)Oc2ccc(C#N)c(OC)c2)CCCCC1 767157026 OUCSHZRGNIPYHU-UHFFFAOYSA-N 287.359 3.833 30 20 CHED C#CC[C@@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)C1CC1 765961336 YFHDBPJHPLFWCP-VWTAQGJOSA-N 279.339 3.526 30 20 CHED COc1cc(/C=C2\CCc3scnc3C2=O)ccc1C 863196793 VWSGBAQERAKZII-KPKJPENVSA-N 285.368 3.673 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(N(C)C)c(F)c1 769335621 OZIBFQFHWMMQMA-UHFFFAOYSA-N 291.414 3.653 30 20 CHED COc1cc(F)ccc1NN=Cc1csc(C2CC2)n1 761884613 LETCYDAUTNFJIZ-UHFFFAOYSA-N 291.351 3.614 30 20 CHED C[C@@H]1CCCC[C@@H]1OCC(=O)OCCCCC(C)(C)C#N 768698257 OQBKILMVHOKFMW-CABCVRRESA-N 295.423 3.845 30 20 CHED C[C@H](NN=Cc1cnc(C2CC2)s1)c1ccccc1 761813388 WCPHZRVLYMARPW-NSHDSACASA-N 271.389 3.705 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1ccc(Cl)s1 769815004 MOSYJAYLFNFICH-UHFFFAOYSA-N 289.791 3.787 30 20 CHED C=C(C)C[C@@H](NCC1CCC(C(C)(C)C)CC1)C(=O)O 864530036 RCAWEZCXWUCZKH-YMAMQOFZSA-N 281.440 3.848 30 20 CHED CC(=NOCC(F)(F)F)c1ccccc1Br 764846408 HIYIIVMKICYZJV-UHFFFAOYSA-N 296.086 3.752 30 20 CHED CC[C@H](C#N)C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 863254431 GVRHKWTUDZRKCS-UKRRQHHQSA-N 284.403 3.788 30 20 CHED Cc1cc(OC(=O)CCCc2ccsc2)ccc1C#N 765117349 BHPTUDWODPAYQS-UHFFFAOYSA-N 285.368 3.857 30 20 CHED N#CCCCCN1CCC(Nc2ccccc2Cl)CC1 1116348761 OJJRAQJYHBMMCV-UHFFFAOYSA-N 291.826 3.910 30 20 CHED CSC[C@@](C)(C#N)NC(=O)/C(C)=C\C1CCC(C)CC1 875715034 ZOONXLMCBOSUSW-QYPXIREWSA-N 294.464 3.520 30 20 CHED CC1(C)CC(=NNc2ncc(Cl)cc2Cl)CCO1 872332359 KVEVEFQBTFAOMV-UHFFFAOYSA-N 288.178 3.745 30 20 CHED Cc1cccc(OC(=O)c2ccc(C#N)cc2)c1Cl 774653609 JTMDWCMNYOBKTB-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C=CCC(CC=C)C(=O)OCc1c(F)cccc1F 779264878 HZMSEAOPVYIUPW-UHFFFAOYSA-N 266.287 3.776 30 20 CHED COc1ccc(CNN=Cc2cc(F)cc(Cl)c2)cc1 776724345 RDWUVSLVWGJXOP-UHFFFAOYSA-N 292.741 3.611 30 20 CHED C=C(Cl)CNC(=O)c1sc(C2CCCCC2)nc1C 775165951 LSFPKUVBTTWUAV-UHFFFAOYSA-N 298.839 3.982 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2cccnc2c1 870470069 LPVYURNOCOTQGG-GFCCVEGCSA-N 282.343 3.720 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1cccs1)C1CC1 878138374 FQPOQVIUQUHMKX-UHFFFAOYSA-N 263.406 3.841 30 20 CHED Clc1cccc(CNN=Cc2cccn2C2CC2)c1 1117782681 OZOFRZPHHDVPNX-UHFFFAOYSA-N 273.767 3.600 30 20 CHED C=CCC[C@H](N[C@@H](C)C(=O)OCCC)c1ccccc1 775462907 GGAHEQVNBUZADZ-HOCLYGCPSA-N 275.392 3.625 30 20 CHED C#CCCCCC(=O)N[C@@H](c1cccs1)C1CC1 773209402 NTYGACNSUGAVSU-OAHLLOKOSA-N 261.390 3.509 30 20 CHED N#Cc1c(Cl)nsc1N1CC[C@@H]1c1cccc(F)c1 771228396 GZPJBXJOCLOVEN-LLVKDONJSA-N 293.754 3.759 30 20 CHED CC(C)CNN=Cc1ccccc1OC1CCCC1 771565975 BSAMMOFFQVQYIE-UHFFFAOYSA-N 260.381 3.588 30 20 CHED C#CC[C@H](NCCOc1ccc(C)cc1)c1ccccc1 775400468 JQISJXJUTASQDS-IBGZPJMESA-N 279.383 3.728 30 20 CHED N#CC1(C(=O)Nc2ccc(-c3ccon3)cc2)CCCCC1 886957864 BMTCEFVNJLZHGP-UHFFFAOYSA-N 295.342 3.754 30 20 CHED CCC[C@@H](CC)C(=O)Nc1sc2c(c1C#N)CCC2 1124214802 WQFQEYHABHKWQA-SNVBAGLBSA-N 276.405 3.873 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)[C@@H](C)c1ccccc1 1123062499 RRQUZPNGYIUCSG-HOTGVXAUSA-N 293.366 3.559 30 20 CHED C=CCc1ccc(OC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c(OC)c1 783562931 ITASWLJCHZCLCN-SOUVJXGZSA-N 286.371 3.765 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 880350059 UIJAYLQUOROLKO-ZDUSSCGKSA-N 270.376 3.680 30 20 CHED COc1cccc2c1C/C(=C\c1scnc1C1CC1)C2=O 782347751 MZYQELVVOCAMIV-DHZHZOJOSA-N 297.379 3.852 30 20 CHED COc1ccc(NN=C(C)c2cnc3ccsc3c2)nc1 780276170 JZTVNLILDCPYFL-UHFFFAOYSA-N 298.371 3.536 30 20 CHED Cn1cc(/C=C2\CCc3c(F)cccc3C2=O)c(C2CC2)n1 899389353 HPFOMCYKMMFCQX-FMIVXFBMSA-N 296.345 3.649 30 20 CHED C#CCN(C)C(=O)Nc1cccc(Oc2ccccc2)c1 788035762 AMPKJMAJZKNGGT-UHFFFAOYSA-N 280.327 3.576 30 20 CHED Fc1ccc(NN=C2CC(c3cccc(F)c3)C2)nc1 781593291 RVSIMTVQCAEOBX-UHFFFAOYSA-N 273.286 3.705 30 20 CHED CC(=O)c1ccccc1C(=O)O[C@H](C)c1cccc(C#N)c1 784103259 VECWVSDDVIPJJZ-CYBMUJFWSA-N 293.322 3.679 30 20 CHED Cc1cc(C#N)nc(N2CCC(n3c(C)ccc3C)CC2)c1 892150146 CPYHWCNJRZJYJL-UHFFFAOYSA-N 294.402 3.522 30 20 CHED CC[C@H](C)NN=C(C)c1cccc(-c2ccncc2)c1 790187617 GKLIYYNIUPBSOP-ZDUSSCGKSA-N 267.376 3.861 30 20 CHED CC[C@@H](C(=O)Nc1cc(C)c(C#N)cn1)c1ccc(F)cc1 1130504824 VOBMRZBAFNVVBD-OAHLLOKOSA-N 297.333 3.533 30 20 CHED FC(F)Oc1ccccc1C=NNc1cccc(Cl)n1 793162931 DAMQPXDNSDMESY-UHFFFAOYSA-N 297.692 3.782 30 20 CHED O=C(C#Cc1ccccc1)OCc1cccc(C(F)F)c1 791758248 IAJQNYILROQRNB-UHFFFAOYSA-N 286.277 3.719 30 20 CHED CC(C)[C@H](C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572707 GSMGUCUNPOKGQG-WDEREUQCSA-N 278.421 3.909 30 20 CHED C=CCCCCC[C@@H](C)NC[C@H](O)c1ccc(F)cc1 793525448 OKWYNFVZXKMXNH-PBHICJAKSA-N 279.399 3.974 30 20 CHED CC(=NNc1cnnc2ccccc12)c1coc(C(C)C)n1 799480032 DKVQLTPZFLMPSB-UHFFFAOYSA-N 295.346 3.577 30 20 CHED N#Cc1ccc(NC(=S)NC2CCCCC2)cc1Cl 134262095 ZASOMXWKYMQDFL-UHFFFAOYSA-N 293.823 3.831 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)c2cccc(Cl)c2O1 1170116915 HLGKSWMDHIZLHO-LBPRGKRZSA-N 298.773 3.999 30 20 CHED C=CCCCCCN(C)C[C@@H]1OCCc2ccccc21 516606357 IDBHPSDUUZJXMW-SFHVURJKSA-N 273.420 3.979 30 20 CHED CSCCCCCCNC(=O)c1cccc(C#N)c1C 1327101373 KNOQYLICPLVPKW-UHFFFAOYSA-N 290.432 3.520 30 20 CHED CC(C)(c1ccccc1)c1nnc(-c2cccc(C#N)c2)o1 1322514708 CIMODIHBWXYSSL-UHFFFAOYSA-N 289.338 3.934 30 20 CHED C#CCCCCCC(=O)NCc1cc(C2CC2)ccc1F 1327107429 ASNSVNHITSIESU-UHFFFAOYSA-N 287.378 3.903 30 20 CHED N#Cc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)cs1 1324351171 BMTVQULXICBDKV-OAHLLOKOSA-N 282.368 3.501 30 20 CHED CC[C@@H](C#N)C(=O)NC1CCC2(CCCCC2)CC1 593642531 MOWMWUBCWWESCM-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc(F)c1Cl 79808727 NSPCEUMVHKZOLW-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1c1cc(C)c(C#N)cn1 1185536346 YMPKYTQMRKDLKJ-IUODEOHRSA-N 257.381 3.667 30 20 CHED Cc1nc(NCCCOC(C)(C)C)c(Cl)cc1C#N 596467018 VFSVFAGNNZTCGU-UHFFFAOYSA-N 281.787 3.532 30 20 CHED N#CCOc1cccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c1 81633317 CUYGNKQVMSAXFN-HUUCEWRRSA-N 270.376 3.970 30 20 CHED N#Cc1ccc(Cl)cc1OCCCCCCCO 761864666 IHOILBWVFMXFOA-UHFFFAOYSA-N 267.756 3.533 30 20 CHED C#CC[C@@H](CCOC)NCc1cc(Cl)ccc1Cl 1331295684 GKTUZMGZAMALKU-ZDUSSCGKSA-N 286.202 3.511 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)CC#Cc1ccccc1 1252963356 QHWSJOINADDHNK-OAHLLOKOSA-N 271.404 3.759 30 20 CHED Cc1ncsc1CNc1cccc(OCCCC#N)c1 88869737 VJIDLCIRULQOIM-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CC(=NNc1ccc(C#N)cn1)[C@H]1CCCC[C@@H]1C 1330910204 JVNNGIKHGBYQOK-FZMZJTMJSA-N 256.353 3.567 30 20 CHED N#Cc1ccnc(NCc2cccc(C(F)F)c2)c1 1341830923 WEHBBAHPJSOZBK-UHFFFAOYSA-N 259.259 3.503 30 20 CHED C=C(C)CCC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C 1262733883 GIWPVFYXNHXXOA-DOTOQJQBSA-N 287.403 3.640 30 20 CHED CCCC(=CC(=O)[C@H](C#N)c1nccn1CC)CCC 1347337428 IPFRVXHERAQTGY-AWEZNQCLSA-N 273.380 3.606 30 20 CHED CC(C)(C#N)c1ccc(-c2nnc(C3CCC3)o2)cc1 1345570651 KTKJRSQDNHEMIC-UHFFFAOYSA-N 267.332 3.805 30 20 CHED COc1ccc2cc(C(=O)O[C@@H](C#N)C(C)C)ccc2c1 1342579854 NZKHZLKGYLDURF-INIZCTEOSA-N 283.327 3.553 30 20 CHED CN(CCC(C)(C)C)C(=O)Nc1sccc1C#N 1354906238 PXZAKXYXFCYQKD-UHFFFAOYSA-N 265.382 3.520 30 20 CHED CCC[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 1353847321 CNXDWQNTJHVCRI-YOEHRIQHSA-N 284.403 3.528 30 20 CHED N#CC1(CCCCN2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 1354431138 HDIRBBSZNSPXGX-UHFFFAOYSA-N 299.374 3.775 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1C)C1CCCCC1 1352104084 WQIHSVPVIIOLFM-QGZVFWFLSA-N 284.403 3.955 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCCOc2c(F)cccc21 1358112431 UFJNOMZSWYFHTK-AWEZNQCLSA-N 277.339 3.512 30 20 CHED C=C(C)CCC(=O)Nc1nc(-c2cccs2)ns1 1517916713 OUIFZVLLBGUSQQ-UHFFFAOYSA-N 279.390 3.561 30 20 CHED Cc1ccc(C)c2c1CC/C(=C/c1ccoc1C(=O)O)C2=O 1600391885 UAGOJKQQHLDMLD-XFXZXTDPSA-N 296.322 3.807 30 20 CHED N#Cc1ccc(N2[C@H]3CCC[C@H]2CC3)cc1Br 214092833 PUMYKRHGPUNMCY-RYUDHWBXSA-N 291.192 3.842 30 20 CHED C[C@@H]1CN(CCc2ccc(C#N)cc2)c2ccc(F)cc2O1 1615674766 WLWAPMGHLMRIEH-CYBMUJFWSA-N 296.345 3.527 30 20 CHED N#Cc1ccc(CNC(=O)Nc2cscc2Cl)cc1 1477060530 IXJBPIMIYGDAMN-UHFFFAOYSA-N 291.763 3.595 30 20 CHED Cc1cc(N2CCC[C@H](C(C)C)CC2)ncc1C#N 1559108822 ZFVCVDVISAFXIV-AWEZNQCLSA-N 257.381 3.524 30 20 CHED CN(C(=O)c1ccccc1SCC#N)c1ccsc1 1640328468 YMALAVQQOFFQCW-UHFFFAOYSA-N 288.397 3.640 30 20 CHED C=CC1(CC(=O)NCC(CC)(CC)C(=O)O)CCCCC1 1588718821 GSFDLHZVONOVGU-UHFFFAOYSA-N 295.423 3.520 30 20 CHED C=C(C)CCC(=O)Nc1c(Cl)ccc(C(=O)O)c1C 1588554300 CPJBKBUKBWZRLK-UHFFFAOYSA-N 281.739 3.641 30 20 CHED COc1cc(C)cc(NC(=O)c2ccccc2CC#N)c1C 1586924795 IDDCRSYXORYSDW-UHFFFAOYSA-N 294.354 3.630 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)cs1 1595728210 UJCVYGWOCPCUAJ-CHWSQXEVSA-N 276.405 3.566 30 20 CHED C[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2F)CC[C@H]1C 1678270033 OWYNBXPNNICCFE-MDZLAQPJSA-N 289.354 3.644 30 20 CHED CC1(F)CCN(c2c(Br)cccc2C#N)CC1 1643002674 XMEDLKIIWBZLHZ-UHFFFAOYSA-N 297.171 3.649 30 20 CHED Cc1ccc(C=NO[C@H](C)c2ccccc2)c(C(=O)O)c1 1776083022 IANVDTIKQYAZRQ-CYBMUJFWSA-N 283.327 3.805 30 20 CHED COc1ccc(O)c(/C=N/[C@H](C)c2ccccc2)c1 5273445 MJMVFOOLLYSGEY-PBSOMRJOSA-N 255.317 3.581 30 20 CHED C=CCN(Cc1ccc(CO)o1)Cc1ccc(Cl)s1 162789107 JPIYZHGYJREJMP-UHFFFAOYSA-N 297.807 3.675 30 20 CHED CCOc1ccccc1/C=C1\COc2ccccc2C1=O 3506201 KTSBKULQMAJXBS-SDNWHVSQSA-N 280.323 3.744 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc(C#N)cc1 5423052 ZUASLGDHOZUTCI-VOTSOKGWSA-N 253.326 3.824 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1OC 205667183 JZKHTXMBVUUERJ-VURMDHGXSA-N 286.302 3.739 30 20 CHED CCCCCCCC(=O)NC[C@@H](O)c1cccc(C)c1 153502969 VPDHXQOBPQEOOB-MRXNPFEDSA-N 277.408 3.505 30 20 CHED C=CCCNc1cc(NC(=O)CC)ccc1Cl 157184511 PBFVTBJVLRTZMD-UHFFFAOYSA-N 252.745 3.677 30 20 CHED C#CCCCCNC(=O)c1c(CC)oc2ccccc12 156421923 DCLYKLWXKHYKCV-UHFFFAOYSA-N 269.344 3.529 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2ccc(C#N)cc2F)n1 159767986 JCPXUMQQWYSPNG-SFHVURJKSA-N 295.361 3.738 30 20 CHED CCOc1cccc(/C=C\C(=O)c2cccc(O)c2)c1 209183101 ORKRBMUZUOVHCJ-KTKRTIGZSA-N 268.312 3.687 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1c(N)cccc1Cl 232515796 XCSKNQDUHSLRJA-UHFFFAOYSA-N 294.782 3.799 30 20 CHED C[C@@H](CCc1ccco1)Nc1ccc(C#N)cc1F 42323448 IWGCYLBNHBJCSL-NSHDSACASA-N 258.296 3.724 30 20 CHED N#Cc1ccccc1OCCSc1ccccc1F 34651700 NTJJGENHYHFJMS-UHFFFAOYSA-N 273.332 3.868 30 20 CHED N#Cc1cc(NC(=O)C2[C@@H]3CCCC[C@@H]23)ccc1Cl 174058128 XQWGXDPJJQWYGW-VXGBXAGGSA-N 274.751 3.586 30 20 CHED N#Cc1cccc(CN[C@H]2CCc3cc(Cl)ccc32)c1 62257465 XCHCOAHTLOILBB-KRWDZBQOSA-N 282.774 3.989 30 20 CHED C=CCCC[C@@H](C)NCc1cc(C)nc(Cl)c1 401970983 MGMOYAKXVRXMGO-LLVKDONJSA-N 252.789 3.878 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(C)cc(C#N)c1 402721886 MWVZLEDVYLWQLL-NSHDSACASA-N 284.281 3.784 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@@H](F)C2)c(Br)c1 309546185 DKXNDUVPDUHHME-NXEZZACHSA-N 283.144 3.623 30 20 CHED N#CC1(CSc2ncccc2Cl)CCCC1 405171346 ZMKZLJFSZRXPFJ-UHFFFAOYSA-N 252.770 3.911 30 20 CHED Cc1cc(OCC2(CC#N)CC2)c(Cl)cc1[N+](=O)[O-] 312071172 NQZRPFVCEILVKY-UHFFFAOYSA-N 280.711 3.629 30 20 CHED N#Cc1cccc(NCc2ccccc2C(F)(F)F)n1 80118608 DGOSCNKTBRAOIZ-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C=CC[C@@H](CC)NCc1ccc2nc(C)ccc2c1 341461392 MAOOCMCWERNLER-MRXNPFEDSA-N 254.377 3.988 30 20 CHED C#CCN(C(=O)c1cc(C)sc1C)C1CCCCC1 688836361 KVNDLXKOXSETMV-UHFFFAOYSA-N 275.417 3.773 30 20 CHED C#CCCCCC(=O)NCc1c(Cl)cccc1Cl 696903302 IOWFRWBZPKNMGN-UHFFFAOYSA-N 284.186 3.803 30 20 CHED N#Cc1cc(Cl)ccc1NCc1nc2c(s1)CCC2 719536785 GAIDETSIKDFWLE-UHFFFAOYSA-N 289.791 3.769 30 20 CHED N#Cc1cc(F)ccc1NC1CCC(F)(F)CC1 390024508 VPFVCJMWRSLFON-UHFFFAOYSA-N 254.255 3.687 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2ccc(CC#N)cc2)C1 398997235 QBVMWROSLHAVFQ-PBHICJAKSA-N 256.393 3.763 30 20 CHED C[C@H]1CCCC[C@]1(C)NCc1ccc(CC#N)cc1 398962480 OAMLDMJIXXGSAK-YOEHRIQHSA-N 256.393 3.811 30 20 CHED CC[C@@H]1CC[C@@H](C)N(Cc2ccc(CC#N)cc2)C1 398982356 GLPUMURRQYAHJI-HUUCEWRRSA-N 256.393 3.763 30 20 CHED CCc1ccc([C@H](C)NC(=O)C2(C#N)CCCCC2)cc1 57383529 MJFBCTRTXGPQPM-AWEZNQCLSA-N 284.403 3.900 30 20 CHED CN(Cc1ccc(Br)o1)c1ccc(C#N)cc1 57385966 NAURMHBKBBOOCU-UHFFFAOYSA-N 291.148 3.550 30 20 CHED C=CCNC(=O)N1CCC[C@H]1c1cccc2ccccc12 56541604 YTPKLJKACYCZGR-KRWDZBQOSA-N 280.371 3.872 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCCCCC#N 170883286 QJOQGUYDIAZVKA-LSDHHAIUSA-N 279.428 3.584 30 20 CHED C=CCOc1cccc(NC(=O)CCc2ccsc2)c1 55723152 SJKRLQSTYVJCIZ-UHFFFAOYSA-N 287.384 3.884 30 20 CHED CCN(Cc1ccoc1)C(=O)Nc1cc(C#N)ccc1C 102535753 SYZODVLWOGBQIX-UHFFFAOYSA-N 283.331 3.514 30 20 CHED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 58598116 XRBYVETVLSUXEU-UHFFFAOYSA-N 298.345 3.734 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc3c(c2)CCO3)c1 54801700 ZZJKRUGAIMIGHW-FNORWQNLSA-N 280.323 3.526 30 20 CHED CSc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)o1 112231768 ANFMHDZCMIDDJO-UHFFFAOYSA-N 292.747 3.779 30 20 CHED CC(C)CCO[C@@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 66018656 DTLNDTGZBGSEOC-NSHDSACASA-N 294.782 3.601 30 20 CHED N#CCOc1cccc(CN[C@H]2CCCc3sccc32)c1 61360060 OSKZPTLRIJEHQZ-INIZCTEOSA-N 298.411 3.818 30 20 CHED C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1cccc(C#N)c1 301464717 WOPDNFIJMHLBKR-JTQLQIEISA-N 285.278 3.779 30 20 CHED COc1cccc(/C=C2\Cc3cc(F)ccc3C2=O)c1OC 114992208 JWEVELPQGCJZBT-MDWZMJQESA-N 298.313 3.665 30 20 CHED Cc1cc(C)c(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)o1 175498604 CGJWLCHXFSADKO-UHFFFAOYSA-N 294.354 3.573 30 20 CHED C=CCN(C(=O)c1cc(Cl)ccn1)c1ccccc1 119477652 JNLNPLCRPNRUEV-UHFFFAOYSA-N 272.735 3.568 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1scnc1C 112184075 IKZGWFKZJVZSMK-UHFFFAOYSA-N 278.421 3.660 30 20 CHED Cc1ccc(CCCCC(=O)NCCCCC#N)cc1 171500755 XNAKURXOOZSUDZ-UHFFFAOYSA-N 272.392 3.518 30 20 CHED CC1(C)CN(c2ccc3cc(C#N)ccc3n2)CC(C)(C)O1 302655386 KUKKPNAYGTYIMT-UHFFFAOYSA-N 295.386 3.500 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)CCc1ccoc1 177171462 IQZGZWILMJADJG-UHFFFAOYSA-N 287.334 3.566 30 20 CHED N#Cc1cccc(Sc2ncc(-c3ccc(F)cc3)[nH]2)n1 301869679 WGQDBQSRYFPLHU-UHFFFAOYSA-N 296.330 3.634 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C(C)(C)C1CCC1 322626947 QSJAKTHILPJBSL-UHFFFAOYSA-N 256.349 3.632 30 20 CHED Cc1cccc(C(C)(C)CNCc2ccc(C#N)o2)c1 174323166 ZMJZWRDSPSSHPL-UHFFFAOYSA-N 268.360 3.527 30 20 CHED Cc1ccc2nc(CSc3ccc(C#N)cc3)cn2c1 69271748 BQAYMHYPMGHWGB-UHFFFAOYSA-N 279.368 3.807 30 20 CHED C=C(Cl)CSc1nnc(Cc2ccccc2F)o1 67955569 AQHLQSAMVVWWNG-UHFFFAOYSA-N 284.743 3.644 30 20 CHED COc1cc(C)cc(CNc2snc(Cl)c2C#N)c1 301808422 WJVLNWARFGKXIJ-UHFFFAOYSA-N 293.779 3.597 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)c1cccc(F)c1 232526249 FFAVEKZOOVHBQU-GOSISDBHSA-N 267.369 3.653 30 20 CHED CCc1ccccc1C(=O)Nc1cccc(C#N)c1C 178634346 VLHNEVZIBMDIBX-UHFFFAOYSA-N 264.328 3.681 30 20 CHED CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 176017287 VBKYYNYEURIHGF-HNNXBMFYSA-N 294.354 3.749 30 20 CHED CCCCN(CC)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301373166 WHTIBZVYMJNAEW-UHFFFAOYSA-N 298.346 3.641 30 20 CHED C[C@H](c1ccccc1F)N(C)c1ccc([N+](=O)[O-])cc1C#N 301304286 ZGCCUQQKQKHURV-LLVKDONJSA-N 299.305 3.803 30 20 CHED CSCc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 63960982 HCOOUGVKWJPCSS-UHFFFAOYSA-N 296.395 3.982 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1 179411099 QDNGXTJKNYZGRQ-FNORWQNLSA-N 257.720 3.940 30 20 CHED C#CCOc1ccc(C(=O)N2CCC[C@@H](C(C)C)CC2)cc1 303845712 JEGFUFPFXDQDFG-MRXNPFEDSA-N 299.414 3.597 30 20 CHED N#CCC[C@H](C#N)CNC(c1ccccc1)c1ccccc1 32514663 YZHPCCIRTVPVGH-MRXNPFEDSA-N 289.382 3.809 30 20 CHED C[C@@H]1CCC[C@@H](N(C)c2ccc(Cl)c(C#N)n2)C1 301165663 HNCCEAOVJJONTJ-GHMZBOCLSA-N 263.772 3.622 30 20 CHED N#Cc1ccc(NCc2cccc(F)c2)c(Cl)c1 62790821 SPXFQPRGRFORIV-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1ccc(N[C@H]2CCO[C@H](c3ccccc3)C2)nc1C#N 302749035 GHHSTJKIDSGXQA-RDJZCZTQSA-N 293.370 3.594 30 20 CHED COc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 37215396 LBPPYBGICLRIII-ZDUSSCGKSA-N 282.343 3.771 30 20 CHED C=CCCCC(=O)Nc1c(F)cc(Cl)cc1F 180340755 WPLRWLVIYYQCGQ-UHFFFAOYSA-N 259.683 3.913 30 20 CHED CCCC1CCC(N(C)C(=O)NCCCCC#N)CC1 188591711 CEUSXOWMEKBUOR-UHFFFAOYSA-N 279.428 3.681 30 20 CHED COc1ccc([C@@H](C)N(C)Cc2cc(C#N)cs2)cc1 125837825 XSTRLZNUWJLCNY-GFCCVEGCSA-N 286.400 3.821 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)s2)C1 180243587 QDVYSAAOOROQFF-NWDGAFQWSA-N 280.462 3.726 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1 128096047 RWDOCYUJVKEKHW-DHZHZOJOSA-N 276.339 3.520 30 20 CHED N#CCSc1cccc(C(=O)Nc2ccsc2)c1 79508283 LPVABEFZJPILIG-UHFFFAOYSA-N 274.370 3.616 30 20 CHED N#Cc1cccnc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 439615501 SHIJELQAXQVOAS-ZYHUDNBSSA-N 283.297 3.734 30 20 CHED C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1Cl 70158614 XZVRIZRZMRKCDI-GFCCVEGCSA-N 298.773 3.632 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2ccco2)cc1 505831780 JAHDLDGARVZJFZ-INIZCTEOSA-N 296.370 3.501 30 20 CHED Cc1cc(C(=O)Nc2cccc(C#N)c2)c(C)n1C1CC1 30057646 VDWIHBNYOQQIBF-UHFFFAOYSA-N 279.343 3.564 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 122885212 PPSSOYWTPZGCTR-DLBZAZTESA-N 299.418 3.668 30 20 CHED C=C(C)CCSCCc1ccc2c(c1)OCCO2 507090596 XQVCYHUCPLGWGH-UHFFFAOYSA-N 264.390 3.700 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(OC)cc(Cl)c1F 412292469 VAJGIMSQRDVVGG-SNVBAGLBSA-N 297.757 3.668 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H](C)CSC)c1ccc(F)c(F)c1 186059958 QPZUZZSEQZXSQC-QMTHXVAHSA-N 299.386 3.697 30 20 CHED C=C[C@@H](C)NC(=O)N(Cc1ccccc1)CC1CCC1 128592636 VGLVGYJKUDWNEM-CQSZACIVSA-N 272.392 3.573 30 20 CHED COc1cc(Cl)c(CN2CCC(C#N)CC2)cc1Cl 123782935 RTBIVPAAYHOGGZ-UHFFFAOYSA-N 299.201 3.738 30 20 CHED Cc1csc(CSCc2cc(C#N)ccc2F)n1 127080395 MOTSZWHXANEFIE-UHFFFAOYSA-N 278.377 3.896 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/Cc1ncccc1F 129563503 NNBLCQCACCSREC-UBKPWBPPSA-N 299.132 3.852 30 20 CHED CC(C)(C#N)CCCN1CC=C(C(F)(F)F)CC1 336734019 UZFSOPCOBOEOGM-UHFFFAOYSA-N 260.303 3.511 30 20 CHED Cc1cc(F)ccc1CN(CCC#N)Cc1ccco1 159593939 KTFRRKCRJCRAFL-UHFFFAOYSA-N 272.323 3.643 30 20 CHED C=CCC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CCC1 187940652 KJYAJOKJPGFZSZ-UHFFFAOYSA-N 298.386 3.720 30 20 CHED C[C@H](NC(=O)[C@H](C)c1cccc(F)c1)c1cccc(C#N)c1 75270266 FHRWCALLWINPJT-OLZOCXBDSA-N 296.345 3.678 30 20 CHED N#C[C@H](NC(=O)C1CC=CC1)c1ccc(Cl)c(Cl)c1 76997686 MEGJONNTLGWPOD-ZDUSSCGKSA-N 295.169 3.640 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1C[C@]1(C)C(C)C 189933955 KDHJGNPYTKSIDM-XJKSGUPXSA-N 264.413 3.599 30 20 CHED N#Cc1ccc(OCc2cccc3cccnc23)c(F)c1 134302820 PKKOGLIXKHWSGF-UHFFFAOYSA-N 278.286 3.825 30 20 CHED Cc1cccc(CCC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 45218545 ZNKGRBVUNVQKNS-HNNXBMFYSA-N 292.382 3.677 30 20 CHED N#Cc1ccc(CN[C@H]2CCCOc3c(F)cccc32)cc1 180444658 NGFWMEOYOBZPCR-KRWDZBQOSA-N 296.345 3.701 30 20 CHED COc1ccc(CC(C)(C)NCc2ccc(C#N)cc2)cc1 189451661 VEPCDUPQQBSARZ-UHFFFAOYSA-N 294.398 3.678 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(N2CCCCC2)cc1 136247691 MPFFWQWOAJKJKO-QGZVFWFLSA-N 285.391 3.555 30 20 CHED C=CCCCSC[C@H]1CCN(C(=O)c2ccccc2)C1 419420743 KNEOAWUNWCZWMY-HNNXBMFYSA-N 289.444 3.848 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1cccc(C#N)c1 508065045 VMHFMYULRGBTOH-UHFFFAOYSA-N 278.355 3.532 30 20 CHED Cn1c(N=C(O)[C@@H]2CCCCC2(C)C)nc2cccnc21 329251769 BPBWPNJQCYRLOW-NSHDSACASA-N 286.379 3.773 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 194393577 GOILNTISXXORIN-HOCLYGCPSA-N 275.392 3.625 30 20 CHED CCc1ccsc1C(=O)N[C@H](C)c1ccc(C#N)cc1 48913412 YKFJVIDDRHUMSR-LLVKDONJSA-N 284.384 3.673 30 20 CHED Cc1nc(CC/N=C(/O)CC2CCCCC2)c(C)o1 328851539 VERWXWRLAUFABN-UHFFFAOYSA-N 264.369 3.761 30 20 CHED N#CCCCSCc1nc(C(F)(F)F)cs1 190985135 KNDIGZJEJWDAHW-UHFFFAOYSA-N 266.313 3.699 30 20 CHED COc1ccc(C#N)cc1NC(=O)CC1(C)CCCCC1 509697300 KLYNPGVZXSXTCR-UHFFFAOYSA-N 286.375 3.866 30 20 CHED CCC1(C/N=C(/O)c2cc3nc[nH]c3cc2F)CCC1 329153249 ABNVOEVIKVTJSX-UHFFFAOYSA-N 275.327 3.587 30 20 CHED CCCCCCCC[S@@](=O)Cc1nccn1C(F)F 190815309 GJAWBIHLWRBMSO-LJQANCHMSA-N 292.395 3.887 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1cc(C)ccc1C 84076593 JCGQTTNJJPFBNT-UHFFFAOYSA-N 284.384 3.903 30 20 CHED N#Cc1ccc(OCCCN2CCC[C@H]3CCC[C@H]32)cc1 228013009 IJXMWAUMFIDJMP-SJLPKXTDSA-N 284.403 3.592 30 20 CHED C=CC[C@@H](C(=O)N1CCSCC[C@H]1C)c1ccccc1 192354878 PQPGHSJNTOVTFN-GDBMZVCRSA-N 289.444 3.700 30 20 CHED C=CCCCSCC(=O)N[C@@H](c1ccccc1)C1CC1 193660645 BOFYVGPDWMCGHI-KRWDZBQOSA-N 289.444 3.953 30 20 CHED C#CCCCC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 192108621 ZAYMLTYHUOTPJK-UHFFFAOYSA-N 296.248 3.589 30 20 CHED O=C(/C=C/c1nccn1-c1ccccc1)c1cccc(F)c1 191206501 ATDFCWKNEKNFFX-MDZDMXLPSA-N 292.313 3.908 30 20 CHED C[C@H](S[C@H](C)C(=O)NC(C)(C)C)c1cccc(C#N)c1 190908735 JRRFMMXDUJUZGA-NWDGAFQWSA-N 290.432 3.656 30 20 CHED N#Cc1csc(C(=O)OCc2ccccc2Cl)c1 83938766 JUHRNBBZOUFBRH-UHFFFAOYSA-N 277.732 3.630 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(-n2cccc2)c1 337088312 HBZLLTZNPPKLOQ-HNNXBMFYSA-N 268.360 3.562 30 20 CHED CCc1ccc(CC)c(N/C(O)=N/[C@@H]2CCC[C@@H]2C#N)c1 330893226 LBRZMHNJVQGLHV-HUUCEWRRSA-N 285.391 3.830 30 20 CHED COc1cccc(/C=C2\Cc3ccccc3C2=O)c1F 195501878 JLRIXJUGORAENQ-JLHYYAGUSA-N 268.287 3.657 30 20 CHED C=C1CCN(C(=O)[C@@H](OC(C)(C)C)c2ccccc2)CC1 338207596 GPWOSNFBSBNETE-INIZCTEOSA-N 287.403 3.721 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC(C#N)CC1 335878566 BUSAHHLZXRCJNG-GDBMZVCRSA-N 296.414 3.738 30 20 CHED Cc1ccc(N=C(O)NC2(CCO)CCCCC2)c(C)c1 331084885 ZLGMNVZRLYSDHP-UHFFFAOYSA-N 290.407 3.524 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1cc(C#N)oc1C 336367475 AYTGSPBTDOOWTL-UHFFFAOYSA-N 274.707 3.674 30 20 CHED C[C@H]1CCCC[C@@H]1CNCc1ccc(N(C)CCC#N)cc1 237537247 DSTYJIKBNOLGMD-FUHWJXTLSA-N 299.462 3.952 30 20 CHED Cc1ccc(C(=O)N(C)C[C@H](C)C#N)c(Cl)c1Cl 336238715 CHUSRILPRWKBFK-MRVPVSSYSA-N 285.174 3.534 30 20 CHED N#CCCCCN1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 339260521 ZIVGHAURUCJLSB-NXOAAHMSSA-N 260.425 3.971 30 20 CHED C[C@H](CC#N)N(C)Cc1cccc(OC2CCCC2)c1 93090537 IGBMMVGDVFWPTD-CQSZACIVSA-N 272.392 3.742 30 20 CHED CC(C)c1ccc(OCCNCc2ccc(C#N)cc2)cc1 236681938 FYCKGUSYMNJWCN-UHFFFAOYSA-N 294.398 3.850 30 20 CHED C=CCCC1(c2nc(-c3cn(C)nc3C(C)C)no2)CC1 426219213 ZVEOVENSCPTCQG-UHFFFAOYSA-N 286.379 3.591 30 20 CHED Cc1cccc(N(C)C(=O)c2ncc(C#N)cc2Cl)c1C 335283091 WRFILIGUMWBNQG-UHFFFAOYSA-N 299.761 3.500 30 20 CHED CC[C@@H](CC(=O)Nc1ccc(C#N)c(C#N)c1C)C(C)C 421564423 ZEBOEGQLEYLKPX-ZDUSSCGKSA-N 283.375 3.749 30 20 CHED CCc1nnc(N[C@@H]2CCCC(C)(C)C2)c(C#N)c1CC 149826315 OIUIIWNUHKAPIB-GFCCVEGCSA-N 286.423 3.854 30 20 CHED CN(CCCC1(C#N)CCOCC1)C1CCC(C)(C)CC1 337179450 LMOZHAQROSUWMR-UHFFFAOYSA-N 292.467 3.988 30 20 CHED N#C[C@H](NC(=O)c1cc2cccc(Cl)c2s1)C1CC1 335414757 AIGPTFNWOOETLN-NSHDSACASA-N 290.775 3.587 30 20 CHED N#Cc1cnc(C(=O)Nc2cccc(Cl)c2)c(Cl)c1 335697698 DIVHGBUBYZAVQC-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C[C@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1Cl 385554166 QYQONFRQOVHYGD-ZJUUUORDSA-N 287.190 3.573 30 20 CHED Cc1ccc(C(O)=Nc2cnc(C(C)(C)C)nc2)cc1F 330641044 CRRUUDCWTKSXJT-UHFFFAOYSA-N 287.338 3.858 30 20 CHED C[C@@H]1C[C@@H]1c1noc(-c2ccc(C(C)(C)C#N)cc2)n1 334303136 CVIOPFQRGNMNPB-MFKMUULPSA-N 267.332 3.661 30 20 CHED COCC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)(C)C 510978675 MQIOVQFLZZMGRT-LRDDRELGSA-N 292.398 3.799 30 20 CHED CC[C@@H](C)/N=C(/O)Nc1ccc2nn(C(C)C)cc2c1 331024739 NZPOGZLQQLODAH-LLVKDONJSA-N 274.368 3.742 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N(C)c1ccccc1 518010463 JNZYZTXHYWBLDT-UHFFFAOYSA-N 290.370 3.899 30 20 CHED CC(C)C1CCC(N(C)Cc2ccc(C#N)o2)CC1 433026807 IAOQBKIGDVBZFM-UHFFFAOYSA-N 260.381 3.798 30 20 CHED Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(C#N)s2)C1 336306244 LQJYEXLDRIKKRX-ZDUSSCGKSA-N 296.395 3.558 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(C#N)cs1 93383647 NQJUMCPYCYYTJN-KYOSRNDESA-N 260.406 3.773 30 20 CHED CC[C@@H](N/C(O)=N/CCC=C(C)C)c1c(C)noc1C 331075969 HSWXVURTNNAIDG-CYBMUJFWSA-N 279.384 3.602 30 20 CHED CC(C)c1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1Cl 342706619 VOUHFYLXPPPEEU-ZDUSSCGKSA-N 299.761 3.743 30 20 CHED CC[C@](C)(C#N)NC(=O)CSc1ccc(C(C)C)cc1 523355705 UAPBFVNZIBIHPK-MRXNPFEDSA-N 290.432 3.711 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)CC1CCCC1 248027185 WKHUVVVYBSARIW-UHFFFAOYSA-N 284.403 3.877 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H]1CCC[C@@H](C)C1 347295769 CHKPUUPYSBNMPP-CZUORRHYSA-N 272.392 3.577 30 20 CHED COc1ccccc1CSc1ncc(C#N)cc1Cl 522902685 BKNOOFOFZSUETH-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1ccc(F)c(F)c1 248422634 DSDOLQBDIITTSB-OJDYBEQGSA-N 291.341 3.744 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CCC(F)(F)C1 431054901 UZVHJLMGGAQHCP-ZDUSSCGKSA-N 288.382 3.810 30 20 CHED Cc1oc(C#N)cc1C(=O)NCc1ccc2ccccc2c1 436084910 FMWMBQJRRRYOAS-UHFFFAOYSA-N 290.322 3.543 30 20 CHED Cc1cccc(C)c1OC[C@@H](C)NC[C@H](C)CCC#N 602521240 LKKFBGKIAIROGD-CZUORRHYSA-N 274.408 3.600 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(C)c2ccc(C#N)cc2)cc1 439940056 VORCZUFWPGUTPD-CQSZACIVSA-N 292.382 3.887 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2ccccc2n1CC#N 609215848 PNVTUKRTXYLILN-OKILXGFUSA-N 295.386 3.568 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccn(-c3ccccc3)n2)o1 255317298 KDORPBUVKPCTOB-HJWRWDBZSA-N 278.311 3.670 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(NC[C@@H](C)CC)cc1 437239089 ILXCSVCRCFXCLS-HNNXBMFYSA-N 286.419 3.959 30 20 CHED Cc1ccc(OCCCCNc2ccnc(C#N)c2)cc1 341721997 MRRROQIODUCYTR-UHFFFAOYSA-N 281.359 3.533 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)C[C@@H](C)C#N 522391480 BFCOSYLTJCEOEV-GOEBONIOSA-N 278.440 3.847 30 20 CHED C[C@H](COCC(F)(F)F)Nc1cc(Cl)ccc1C#N 609892202 QKIZHRHGGMEALQ-MRVPVSSYSA-N 292.688 3.591 30 20 CHED C=C[C@H](CC(=O)NCc1oc(CC)nc1C)c1ccccc1 347735414 OKUZQYSMIPJOMS-CQSZACIVSA-N 298.386 3.522 30 20 CHED C=CCn1cccc1-c1nc(-c2ccc(F)cc2)no1 345724682 RSVCLRKFWXVBKM-UHFFFAOYSA-N 269.279 3.530 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1)c1cc(O)cc(O)c1 255060684 AJZBDKMQHJSONR-RQOWECAXSA-N 292.693 3.786 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)C(C)(C)c1ccccc1 436305071 HMOOYJZUGXLKLC-RYRKJORJSA-N 287.447 3.924 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H](CCC)OCC)c1 528379464 KEWHFSWGJPFXQL-MRXNPFEDSA-N 291.391 3.785 30 20 CHED N#Cc1ccc(Sc2ncnc3ccsc23)c(F)c1 342263373 FCCBILZDYXAZRU-UHFFFAOYSA-N 287.344 3.853 30 20 CHED C[C@@H](CNC[C@H](C)CCC#N)Oc1cccc(Cl)c1 602567897 OOUMSXIVROKPNI-OLZOCXBDSA-N 280.799 3.637 30 20 CHED C=CCNC(=O)N[C@H](CC(C)C)c1ccccc1OCC 347118167 YNNIHDQLCDJKKJ-OAHLLOKOSA-N 290.407 3.658 30 20 CHED CC(C)(CCC#N)CNC(=O)C[C@H]1C[C@H]1c1ccccc1 345990511 JFWRRLOWWMFSEQ-CVEARBPZSA-N 284.403 3.626 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1NCCCCC(C)(C)C#N 444679120 LJPPXCYWEIFUAK-JKSUJKDBSA-N 280.456 3.890 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(c3ccccc3)CCCC2)C1 442714300 JUFYDNGFDRKVPF-WBVHZDCISA-N 268.404 3.780 30 20 CHED C=CCN(Cc1ccccc1F)C[C@H](C)CCC#N 602447240 CEXJWCWZJPJJOS-CQSZACIVSA-N 260.356 3.754 30 20 CHED CCn1cc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cn1 254952058 AXHTZKKRBMRFLP-SREVYHEPSA-N 294.276 3.818 30 20 CHED CC1(C#N)CCC(N[C@H](c2ccccc2)[C@H]2CCCO2)CC1 449099932 PHFSRLXBZUYCQF-QGLXBCBXSA-N 298.430 3.969 30 20 CHED C=CC(C)(C)CNCc1c[nH]nc1-c1ccccc1F 449486685 UOEONWVDFKAJNK-UHFFFAOYSA-N 273.355 3.518 30 20 CHED Cc1cc(CNCC2(c3ccc(F)cc3)CC2)ccc1C#N 443973140 YDIDGLNSOIDDCL-UHFFFAOYSA-N 294.373 3.827 30 20 CHED C[C@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 355283018 AGSAFBIVNXNPQZ-RDJZCZTQSA-N 284.403 3.723 30 20 CHED Cc1ccc(CN(CC#N)C2CCCC2)cc1Cl 447725848 DURXMKKKERVLNC-UHFFFAOYSA-N 262.784 3.917 30 20 CHED C[C@H](CCNC(=O)c1ccccc1CC#N)c1ccccc1 601028498 OQABSQCSVWICTI-OAHLLOKOSA-N 292.382 3.676 30 20 CHED CS[C@@H](C)CCC(=O)Nc1cc(C#N)cn1C(C)(C)C 359020968 SWNLSBDZHDQMSU-NSHDSACASA-N 293.436 3.585 30 20 CHED N#CCC1(CN2CC[C@H](CSc3ccccc3)C2)CC1 602786522 QVULDZQSJRDOBH-HNNXBMFYSA-N 286.444 3.794 30 20 CHED CCCN(Cc1ccc(OC)cc1)Cc1cccc(C#N)c1 603925933 XCABKQLWZRLWNX-UHFFFAOYSA-N 294.398 3.979 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC 539428439 JLMOIOKQBIEFKL-NVXWUHKLSA-N 288.435 3.540 30 20 CHED C=C1CCN(Cc2cccc(OCCCC#N)c2)CC1 353326959 BAPIDICDKRNSMA-UHFFFAOYSA-N 270.376 3.521 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1cccc(N2CCCC2)c1 602807667 ZSFMXGIINQMGAG-HNNXBMFYSA-N 283.419 3.631 30 20 CHED CCCCOc1ccc(OC)cc1N[C@H]1CC[C@H](C#N)C1 442877088 QWMNLJDXYAEJLV-KBPBESRZSA-N 288.391 3.978 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)NCC(C)(C)CCC#N 358682917 JTRALBLNEGJCLC-AWEZNQCLSA-N 279.428 3.536 30 20 CHED CCS[C@H]1CCCCN(c2ncc(C#N)cc2Cl)C1 350729231 MQFHZYBXXMIBTP-LBPRGKRZSA-N 295.839 3.719 30 20 CHED C[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(Cl)cc1 611142696 XFYJFSKCBQPXFT-LBPRGKRZSA-N 298.773 3.897 30 20 CHED CC(C)(CCC#N)CNC(=O)C1(c2ccccc2)CCC1 359766680 QEJPJYBEFHLIKI-UHFFFAOYSA-N 284.403 3.554 30 20 CHED CCN(C(=O)[C@@H]1CC12CCC2)[C@H](C)c1ccc(C#N)cc1 610737317 MEMFBQPQLRWMMQ-CJNGLKHVSA-N 282.387 3.658 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N1C2CCCC1CCC2 610281072 LUFKEIMIFJUQNF-UHFFFAOYSA-N 295.308 3.883 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(SC)oc2C)C1 617777358 NDJKVPIJTKOMGA-GFCCVEGCSA-N 279.405 3.738 30 20 CHED CC[C@@H](NCc1cccc(F)c1)c1ccc(C#N)cc1 447537941 ZSJMZTCRDHUELH-QGZVFWFLSA-N 268.335 3.938 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(C2CC2)ccn1 353939509 DFQPDYOEVXAAMR-AWEZNQCLSA-N 271.364 3.531 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](CC(F)(F)F)C2)CC1 357119350 FWWMBYFOEDXXFA-NSHDSACASA-N 275.314 3.534 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 448667460 XPLKWMFGGBJUBR-CABCVRRESA-N 287.407 3.530 30 20 CHED CO[C@@H]1CCC[C@H]1CNc1cc(C#N)ccc1C(F)(F)F 539602895 UBNKURTUYHGMDX-SMDDNHRTSA-N 298.308 3.804 30 20 CHED C[C@H](N(C)C(=O)C[C@H](CC#N)c1ccccc1)C1(C)CC1 356368122 NGILPFZCIVEKSD-HOCLYGCPSA-N 284.403 3.721 30 20 CHED C=C(CC)CNc1ccc2c(c1)CN(CC(F)(F)F)C2 453157520 GMXGMBMTGBFURS-UHFFFAOYSA-N 284.325 3.943 30 20 CHED C=C(C)[C@H](N=c1[nH]nc(C(C)C)o1)c1ccc(F)c(F)c1 450462140 YTDYBRAGKOAJKP-ZDUSSCGKSA-N 293.317 3.622 30 20 CHED CC[C@H](C)n1nc(C(=O)Nc2cc(C)cc(C#N)c2)cc1C 456959966 GZALCHAJXYIWLX-LBPRGKRZSA-N 296.374 3.595 30 20 CHED C[C@@H](C#N)CN(C)c1ccnc2cc(F)c(Cl)cc12 450258295 PRTLMEYECBYRMA-VIFPVBQESA-N 277.730 3.623 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NCC(C)(C)CCC#N)C1 454968774 WIZRFIGOBVFCBE-SOUVJXGZSA-N 293.455 3.830 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1ccc(C)cc1O 273503545 QOEWFFGBMXVRMJ-OAHLLOKOSA-N 295.382 3.563 30 20 CHED C=CCC[C@@H](N[C@H]1CCN(C(C)=O)c2ccccc21)C1CC1 362032408 LWSLELURJDLMIO-MSOLQXFVSA-N 298.430 3.819 30 20 CHED CC(C)CC1(C(=O)N[C@@H](C)c2cccc(C#N)c2)CCC1 610684942 FFYDGSFYBTXXPE-AWEZNQCLSA-N 284.403 3.952 30 20 CHED CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCC[C@H]1c1ccccc1 459679904 QEZSKNTVNWBMFH-RBUKOAKNSA-N 293.414 3.665 30 20 CHED COc1ccc2c(c1)C[C@@H](C)N(CCC(C)(C)C#N)[C@H]2C 543846277 ADGKKOFJMMXBQD-KGLIPLIRSA-N 286.419 3.943 30 20 CHED C=CCCc1noc([C@H]2Cc3ccccc3S2)n1 453245813 IUWNLJMGQJGTKQ-GFCCVEGCSA-N 258.346 3.578 30 20 CHED N#Cc1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1F 362296084 GUULKRPETCILNZ-UHFFFAOYSA-N 294.329 3.659 30 20 CHED CC(C)(CC#N)CNCc1cc(F)cc(Br)c1 459725652 DNLAEXBSYLDGNU-UHFFFAOYSA-N 299.187 3.618 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2c(C)n[nH]c2C)CCCCC1 456372748 UZIQADQHCGFNJW-GFCCVEGCSA-N 289.423 3.525 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cc(C)ccc1OC 457931091 ATQFBVKURIQKDQ-GUYCJALGSA-N 275.392 3.783 30 20 CHED C=CCC1(C(=O)NCc2cccc(OC)c2C)CCCC1 620756586 BNTNLJFUARYPEL-UHFFFAOYSA-N 287.403 3.756 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cccc(Cl)c1F 453346099 GRTHGIXPGKECDW-MJBXVCDLSA-N 283.774 3.863 30 20 CHED C#CCCCC(=O)N(C1CC1)[C@H](C)c1ccccc1 277308604 WKSWPGKVPCWBKI-CQSZACIVSA-N 255.361 3.542 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(CC#N)c2)CC1 455902745 HLDUQAOFMZGJDA-UKRRQHHQSA-N 285.391 3.843 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C12CCC(CC1)C2 544045928 LYZSAEAGYWYHKF-UHFFFAOYSA-N 283.415 3.824 30 20 CHED C=CCN(C(=O)c1cc(Cl)ccc1OC)C(C)(C)C 622943225 TWJRVAYLADTKFL-UHFFFAOYSA-N 281.783 3.775 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 454894262 NYCMCXUFMITVQH-ZBFHGGJFSA-N 290.382 3.727 30 20 CHED C=CCCN(C)C(=O)c1ccc(-c2cccs2)nc1C 276098867 FGKHMSDZISAGPA-UHFFFAOYSA-N 286.400 3.767 30 20 CHED C[C@@H](NC[C@H](c1ccsc1)N(C)C)c1cccc(C#N)c1 271878777 OTCMGYRFCUMTAW-CXAGYDPISA-N 299.443 3.573 30 20 CHED N#Cc1cccc(Cl)c1NC[C@H](O)C1CCCCC1 462805526 VCHQDUMNHQOGLS-AWEZNQCLSA-N 278.783 3.565 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1CSc2ccccc21 620858910 SWPLHJODRXRODD-CYBMUJFWSA-N 275.417 3.737 30 20 CHED C[C@H](C(=O)NC[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 461921160 TYTPVLDSKRFKAZ-GRDNDAEWSA-N 284.403 3.604 30 20 CHED C=CC[C@H](CC)NC(=O)NCCc1cc2ccccc2o1 541254729 FYBSKBCAJFSBKU-AWEZNQCLSA-N 286.375 3.629 30 20 CHED Cc1cccc2cc(C(=O)N[C@@](C)(C#N)C(C)C)sc12 288373549 IAWZRJYGMCCXEH-INIZCTEOSA-N 286.400 3.878 30 20 CHED CC1(C)CN(C(=O)c2ccc(C#N)cc2)[C@H]1c1cccs1 288323804 KNFXXGWMSXYDNZ-HNNXBMFYSA-N 296.395 3.843 30 20 CHED N#Cc1ccnc(N2CCC[C@H]2c2ccc(Cl)cc2)c1 286296174 YCAWQWQSICIETQ-HNNXBMFYSA-N 283.762 3.948 30 20 CHED CCCN(CC#N)C(=O)c1sc2ccc(C)cc2c1C 469121871 YSHBNWLZZAJNFZ-UHFFFAOYSA-N 286.400 3.894 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)C1CCCCC1 466399841 RLYWFLYPIPUNEQ-CYBMUJFWSA-N 252.402 3.705 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1SC 281749701 BTDFMXAKBOCYHU-VXGBXAGGSA-N 278.421 3.733 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@H](C)c1nc2ccccc2s1 464752236 CITWQDDIGONCFU-GHMZBOCLSA-N 289.404 3.573 30 20 CHED N#CCCCSCc1nc(-c2cccc(Cl)c2)no1 376460710 ACXGOEVEXVLNNU-UHFFFAOYSA-N 293.779 3.927 30 20 CHED C=C[C@@H](C)NC(=O)COc1ccc(Cl)c2ccccc12 465101335 FSMBSIRBHYWOTE-LLVKDONJSA-N 289.762 3.563 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 370596181 DNAFIDJPLVFHML-CQSZACIVSA-N 292.329 3.568 30 20 CHED CCCCCCCOc1ccc(CN[C@@H](C)C(=O)O)cc1 284344072 VNRLHRYFJARNFN-AWEZNQCLSA-N 293.407 3.599 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2ccc(Cl)cc2)no1 284927733 CAVFNLWVLBOULT-AWEZNQCLSA-N 275.739 3.505 30 20 CHED C=CC[C@@H](CC)NC(=O)NC(C)(C)c1cccc(C)c1 466367816 ZVJIPUIUHLDFHU-OAHLLOKOSA-N 274.408 3.884 30 20 CHED C=CCC[C@@H](NCC(C)(C)CCOC)c1ccco1 285490374 AHJNTPJNMVUPGL-CQSZACIVSA-N 265.397 3.939 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)c1sc(C)nc1C 281504733 WZPVYAYSLZGSLR-AAEUAGOBSA-N 295.452 3.817 30 20 CHED C=CCOCCCN1CCS[C@H](C)[C@@H]1c1ccccc1 470762007 NWVDKTSMTUCZRF-NVXWUHKLSA-N 291.460 3.758 30 20 CHED C=C(C)C[C@H](C)C(=O)NCc1ccccc1N(C)C(C)C 474107560 QXTUXSHTRMUMEV-HNNXBMFYSA-N 288.435 3.750 30 20 CHED C=CCCCCNC(=O)Nc1cc(F)c(F)c(F)c1 473695741 VQVNXZZWPVYNOA-UHFFFAOYSA-N 272.270 3.582 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](CC)c1ccccc1)C(C)(C)C 807881557 NDTMIQMMYUFYIO-GDBMZVCRSA-N 271.404 3.734 30 20 CHED CCC(CC)CNN=Cc1ccc(C)cc1-c1ccnn1C 802711841 CKDZRQMJCBFOGW-UHFFFAOYSA-N 298.434 3.755 30 20 CHED Cc1cncc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)c1 297896101 WFLGFRUJMJUKQS-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C#CCN(Cc1ccccc1)C(=O)[C@@H](C)Cc1ccccc1 804836850 KTZDGFVLTMFDOO-KRWDZBQOSA-N 291.394 3.527 30 20 CHED C=CCC[C@@H](CC)NCc1oc(CCC)nc1C 293385300 INFJEYRYUNKONH-CYBMUJFWSA-N 250.386 3.770 30 20 CHED C#CCCCNC(=O)N1CCC[C@](C)(c2ccccc2)CC1 805161309 QHAMNJFVGKFCLP-IBGZPJMESA-N 298.430 3.553 30 20 CHED C[C@@H](CCc1ccco1)NC1(c2cccc(C#N)c2)CC1 560261855 ZSFVCHUAIXAYAK-AWEZNQCLSA-N 280.371 3.751 30 20 CHED C[C@]12CCN(c3ccc(C#N)cc3F)C[C@H]1C2(Cl)Cl 804705106 RNCUZFQRSNKEOG-OLZOCXBDSA-N 299.176 3.717 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)cc1 476647960 WOTJTOAZWOZNEZ-MRXNPFEDSA-N 298.430 3.996 30 20 CHED C[C@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2Cl)C[C@@H](C)O1 562427269 RLVNWRROJBLGAW-OPDFLTKYSA-N 292.810 3.818 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2Cc3ccccc3O2)CCCC1(C)C 470267375 PUPORJDOQQOGNT-DLBZAZTESA-N 299.414 3.583 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)CC1 474710620 YWLBAPZKBULWNE-OLMNGRFOSA-N 273.420 3.674 30 20 CHED C=C(C)CCc1noc([C@@H](C)OCCc2ccccc2)n1 296249844 BDLFYJTZFIRUHP-CQSZACIVSA-N 286.375 3.899 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cscc1Cl 640782406 VAFRGCOTWHFDES-SECBINFHSA-N 270.785 3.974 30 20 CHED C=CCC(C)(C)C(=O)NC1CCC(C(C)C)CC1 477655407 XKTSGABJFSRMCK-UHFFFAOYSA-N 251.414 3.920 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 296235221 WWEPDXKALDGPJY-UHFFFAOYSA-N 283.375 3.640 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 806263459 MJAOZCMJFIJUJY-NSHDSACASA-N 299.374 3.560 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1cc(F)ccc1F 809579343 YZTPPSJCZRVLOB-CYBMUJFWSA-N 252.308 3.555 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCC1 479776490 IBKDXUCCAOSXCD-SOUVJXGZSA-N 261.409 3.818 30 20 CHED C[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 299598180 FTKKBBWRDLTXIV-CQSZACIVSA-N 290.366 3.707 30 20 CHED CCC[C@H](CC)S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C 477050979 TUADJKPHAHMTGB-IPYPFGDCSA-N 284.469 3.741 30 20 CHED C=CC(C)(C)C(=O)N(C)c1ccc(F)c(Cl)c1 296283935 LDSCQIVBMBZKME-UHFFFAOYSA-N 255.720 3.654 30 20 CHED Cc1c(C(=O)O[C@@H](C)CC#N)sc2cc(F)ccc12 805882348 VKCACJVLZPBKDF-QMMMGPOBSA-N 277.320 3.808 30 20 CHED Cc1cc(/C=C/C(=O)c2cccc(C(=O)O)c2)cc(C)c1O 806558361 APVXQKKDWUYHGA-VOTSOKGWSA-N 296.322 3.603 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1ccsc1Cl 560090983 RVRMCQYWMMTASG-JTQLQIEISA-N 287.812 3.641 30 20 CHED CC(=NOCC1CC1)c1nc(-c2ccccc2)cs1 814940993 KSGWOYKOQPPQIF-UHFFFAOYSA-N 272.373 3.961 30 20 CHED C#CCOc1ccccc1NC(=O)CCc1ccc(C)s1 811188169 BEOSLAMYQHMOAU-UHFFFAOYSA-N 299.395 3.640 30 20 CHED CCC(=NNCCC(F)(F)F)c1ccc(Cl)c(N)c1 814920348 LAYOHAGRTHWNIE-UHFFFAOYSA-N 293.720 3.578 30 20 CHED C=CCCCCCCCN1C(=O)[C@H](C)N(C2CCC2)C1=O 811841628 NLUUJGQTSVFULH-AWEZNQCLSA-N 292.423 3.718 30 20 CHED C=CC(C)(C)CNC(=O)c1oc2ccc(OC)cc2c1C 569546011 USKCXNJBAQKAPG-UHFFFAOYSA-N 287.359 3.692 30 20 CHED COC(=O)c1ccccc1-c1ccc(C=NOC2CCC2)o1 812235076 KLMPGUFGRYOGML-UHFFFAOYSA-N 299.326 3.636 30 20 CHED CCCCN(C(=O)c1ccc(C#N)o1)[C@@H]1CCC[C@H](C)C1 818802321 MAVYYZZWICFOFJ-UONOGXRCSA-N 288.391 3.972 30 20 CHED Cc1cccnc1CC(=NOCCC1CC1)C(F)(F)F 814245793 IKSDJLGUMOAFDJ-UHFFFAOYSA-N 286.297 3.668 30 20 CHED Cc1cc(C)cc(NN=C2COc3ccccc32)c1 814752998 CFYKTBFDDPEJLW-UHFFFAOYSA-N 252.317 3.512 30 20 CHED CC(C)(C)OC(=O)CCNN=C1CCCCC12CCCC2 814901711 VMKPGVMKXXNVQS-UHFFFAOYSA-N 294.439 3.798 30 20 CHED C=C[C@H]1CCCCN1C[C@@H](O)c1cc2ccccc2o1 815104308 HMURINOANDFYPA-LSDHHAIUSA-N 271.360 3.507 30 20 CHED C=CCOc1ccc(OC(=O)CCCC2CC2)cc1 813029775 DLMHQTFZHWCMJX-UHFFFAOYSA-N 260.333 3.737 30 20 CHED CO[C@H]1C[C@@H](c2ccccc2)CCC1=NOCC(C)C 814883905 GWKMUOHEGLKUHE-RDJZCZTQSA-N 275.392 3.998 30 20 CHED C[C@@H]1CC/C(=C/C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 819736166 CZSCEWHNWLUMFI-BVFUPINUSA-N 282.387 3.824 30 20 CHED C#Cc1ccccc1CC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 812978464 QVUNYDOEXJIJNH-HUUCEWRRSA-N 283.415 3.636 30 20 CHED CCC(=NOCC1CC1)c1ccccc1OC(F)F 814941044 MILRJOLJHYWOTD-UHFFFAOYSA-N 269.291 3.829 30 20 CHED Cc1ccc(NN=Cc2cscc2C(F)(F)F)nc1 811641333 YBBAGMJZCCWQQZ-UHFFFAOYSA-N 285.294 3.916 30 20 CHED C#CCCCOC(=O)[C@H](C)c1cccc(Br)c1 812609143 XRWGOMLZRNTDEG-LLVKDONJSA-N 295.176 3.509 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(-c2ccccn2)cc1 578473075 CDRPPZLVWOHQTB-UHFFFAOYSA-N 293.370 3.955 30 20 CHED Br/C(C=NOC1CCC1)=C/c1ccccc1 812236059 VITYQNSWDPEBFB-XONBKLNWSA-N 280.165 3.977 30 20 CHED CC(C)CC[C@@H](NCc1cc(C#N)n(C)c1)C(C)(C)C 480367919 TYUSMRMSCSPEPI-MRXNPFEDSA-N 275.440 3.837 30 20 CHED C[C@@H](NN=C1CCCc2occc21)c1ccccc1 814815130 NVXUEWWHOBMRHW-GFCCVEGCSA-N 254.333 3.671 30 20 CHED CC1=CC(=NNc2ccc(C(F)(F)F)cn2)CCC1 727253811 JTEWHMLXKHPIBM-UHFFFAOYSA-N 269.270 3.999 30 20 CHED Cc1cc(CN[C@@H](C)[C@H]2COc3ccccc32)ccc1C#N 488283674 UBVVIVFJBVCMHE-KBXCAEBGSA-N 292.382 3.521 30 20 CHED Clc1cccc(C=Nn2cnc3ccccc32)c1 725849842 TZLOSVHIRHEEQG-UHFFFAOYSA-N 255.708 3.572 30 20 CHED N#CCC[C@@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 492185573 VKXMYQMHPZXXNE-HLRDLLSLSA-N 296.395 3.923 30 20 CHED CC[C@H](CC#N)NCCOc1cccc2ccccc12 574218353 ZMOKHEFVINJLKS-OAHLLOKOSA-N 268.360 3.500 30 20 CHED CC1(C)CCC[C@H](c2noc(-c3ccc(C#N)cn3)n2)C1 570318716 KUXDTXVQPCIWAZ-LBPRGKRZSA-N 282.347 3.687 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(OC(F)F)c(OC)c1 825725415 JVBYEZVNUNQKGK-SNVBAGLBSA-N 299.317 3.837 30 20 CHED CCC[C@@H](CC)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 823800848 QYHPIDQCSOMBBS-DZGCQCFKSA-N 272.392 3.904 30 20 CHED C=CCC(C)(C)c1noc(-c2cc3c(s2)CCOC3)n1 579218299 ZPCOPFRBPBYDID-UHFFFAOYSA-N 290.388 3.725 30 20 CHED C=CCCCCS(=O)(=O)c1ccc(C(F)(F)F)cc1 829520867 IQGBONVEUMLNOC-UHFFFAOYSA-N 292.322 3.835 30 20 CHED C=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1 493769081 QQCNCAQVBJZQJC-KZNAEPCWSA-N 283.415 3.637 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)OCC(F)F 729074762 XDJBEINNXXIBEN-UHFFFAOYSA-N 287.265 3.647 30 20 CHED C=CCN(C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 494655279 PZDCVRHNKSFDOY-SFHVURJKSA-N 294.398 3.793 30 20 CHED C=CCOC(=O)[C@H](SCc1ccccc1)C(C)C 727627155 AVDDGGPPSRQDIQ-CQSZACIVSA-N 264.390 3.674 30 20 CHED Cc1ccc(C(C)(C)C(=O)OCCCCC#N)cc1 728668788 NZLVPEYRYMIJDH-UHFFFAOYSA-N 259.349 3.510 30 20 CHED CC(C)Oc1ccc(N[C@@H]2C[C@H](C)O[C@H](C)C2)cc1C#N 824126224 TZCFTLPUZQQBDN-VIKVFOODSA-N 288.391 3.713 30 20 CHED COc1cc(CN[C@@H](C)[C@H](C)c2ccccc2)ccc1C#N 583535367 HLJOUHWKHBJKKE-GJZGRUSLSA-N 294.398 3.849 30 20 CHED Cc1ccccc1C1(NCc2ccc(F)cc2C#N)CC1 829490716 YQAYUFFWMUIWAT-UHFFFAOYSA-N 280.346 3.785 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(CCC)on2)C(C)C)c1 823319852 JHUDYWPZTSDYNA-UHFFFAOYSA-N 296.370 3.664 30 20 CHED C=C(C)Cn1c(-c2ccccn2)nnc1N(CC)[C@@H](C)CC 669302916 UKYCWEMSQDXGNV-AWEZNQCLSA-N 299.422 3.541 30 20 CHED C=CCC[C@H](NC(=O)NC1(CF)CCC1)c1ccccc1 580558076 RMJKNVOSBUZMAW-HNNXBMFYSA-N 290.382 3.885 30 20 CHED C=C[C@H](CC)Cc1nc(-c2cncc(Cl)c2)no1 904104458 ROZSJSJBBCWCLH-SECBINFHSA-N 263.728 3.540 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(Cl)c2ncccc12 736955841 PQHOUEBHXGMLNN-UHFFFAOYSA-N 296.157 3.762 30 20 CHED C=C[C@H](CC)Cc1nc([C@@H](OCC)c2ccccc2)no1 904064851 WPFDCWUOWXUBHC-CJNGLKHVSA-N 286.375 3.950 30 20 CHED N#CCCCCCC(=O)Nc1c(Cl)ccc2c1CCO2 588981834 IFVHTPCJCFXSKL-UHFFFAOYSA-N 292.766 3.687 30 20 CHED CSCC1CCC(=NNc2cc(C)ccn2)CC1 834964534 NMGIQFZMQGIVIC-UHFFFAOYSA-N 263.410 3.711 30 20 CHED C#CCCCC(=O)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 839849681 YTCLGBOWZSQUKA-CGTJXYLNSA-N 283.415 3.879 30 20 CHED CCn1nc(C)c(C=NNc2ccc(C)cc2Cl)c1C 835012246 QUEJJOFLDXDYRI-UHFFFAOYSA-N 290.798 3.928 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)C1CCCCC1 833386982 IAXNFNRHBSMPQV-UHFFFAOYSA-N 260.337 3.753 30 20 CHED C#CCC[C@H](C)OC(=O)CCSc1ccc(OC)cc1 839033344 CVLWCWVZLKECKI-ZDUSSCGKSA-N 292.400 3.523 30 20 CHED CC(C)(C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 839051251 NDRGNFHIJGFHOO-DOMZBBRYSA-N 289.350 3.729 30 20 CHED Cc1ccccc1CC(C)(C)NC(=O)CCCCCC#N 588918311 PBIKBVBASKOGAC-UHFFFAOYSA-N 286.419 3.906 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1C 834940753 QHIWSSYQWFHMMJ-ZWNOBZJWSA-N 276.340 3.604 30 20 CHED CCCCCCCCCNC(=O)N(C)C[C@@H]1CCCOC1 730905350 RRCMBJMOWGRDDI-INIZCTEOSA-N 298.471 3.805 30 20 CHED C=CCC[C@@H](N[C@@H](C)CCCCO)c1ccccc1 679356722 HQXFPMASLPSLHO-DOTOQJQBSA-N 261.409 3.835 30 20 CHED C=CC1CCN(C(=S)Nc2ccc(CC)cc2)CC1 731942498 OVSJRPYQWRZKQK-UHFFFAOYSA-N 274.433 3.844 30 20 CHED C#CCOc1cccc(NC(=O)N(CC)[C@H](C)C(C)C)c1 731110839 FSPGGUMUYWFPFK-CQSZACIVSA-N 288.391 3.597 30 20 CHED N#Cc1cnccc1/C=C/c1nccc2ccccc12 585818733 PXRUYPBXWOUQPL-AATRIKPKSA-N 257.296 3.672 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C1CCC2(CC1)CC2 831894672 RIUQUHRIEJAABE-CYBMUJFWSA-N 298.386 3.886 30 20 CHED Cc1ccc(F)cc1COC(=O)[C@@]1(C#N)CC12CCCC2 837903521 RPGLRZCBEDKRBL-KRWDZBQOSA-N 287.334 3.651 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(OC)cc2)CCCC1 830980518 JOGDIQDTRCGSHG-DLBZAZTESA-N 299.414 3.804 30 20 CHED CN(c1ccccc1)[C@H]1CCN(CC(C)(C)CCC#N)C1 597225157 ZUBMITNOXMOPIH-KRWDZBQOSA-N 285.435 3.527 30 20 CHED CC(C)(C)C#CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 837537108 HSVFTYBWPQPUDX-UHFFFAOYSA-N 288.435 3.651 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N(CCC#N)CC2CC2)cc1C 597141349 JKNGJEWUGZKYDV-ZWKOTPCHSA-N 296.414 3.559 30 20 CHED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 915088054 ZRLKQFPEFYRJCA-KRWDZBQOSA-N 276.339 3.691 30 20 CHED CCc1ccc([C@@H](C)NCCc2ccc(C#N)cc2)o1 595058230 ZVRLSQRBEZEJMC-CYBMUJFWSA-N 268.360 3.607 30 20 CHED CC(C)Oc1ccc(CC#N)cc1-c1cccnc1 592988174 HIVDVMOHZPDUMK-UHFFFAOYSA-N 252.317 3.602 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H]1CCC[C@@H]1CCC(C)C 590030435 RATFNPQVINWMKT-OAGGEKHMSA-N 281.440 3.689 30 20 CHED CC(C)c1nc(CN[C@H]2CCCC[C@H]2C#N)c2ccccn12 597195484 JAGNCAZODQKQFU-GJZGRUSLSA-N 296.418 3.630 30 20 CHED Cc1ccc(CCNC(=O)CC2(C#N)CCCCC2)c(C)c1 596931671 AJPCGWNHWBWFGV-UHFFFAOYSA-N 298.430 3.826 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 591103805 YCOWKWYWJXPXLV-GLJUWKHASA-N 288.435 3.791 30 20 CHED C[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccc(Cl)cc1 593114796 GDJVWURUZXSCDJ-MEDUHNTESA-N 292.810 3.888 30 20 CHED Fc1cccc(C=NOCc2cccc(OC(F)F)c2)c1 747813516 ZENACIQUMUCJJJ-UHFFFAOYSA-N 295.260 3.978 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(OC)c(OC)c1 743451103 ZUSKZOJUBABHET-AWEZNQCLSA-N 292.423 3.986 30 20 CHED CCC(=NNc1nc(C)cc(OC)n1)C1CCCCC1 747634321 DKUZVDYUAFUFPA-UHFFFAOYSA-N 276.384 3.552 30 20 CHED N#Cc1ccc(N(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C2CCC2)cc1 598885568 MXYZRUJOQOPYPM-MPGHIAIKSA-N 294.398 3.880 30 20 CHED O=C1/C(=C\c2cc(F)ccc2F)CCc2c(O)cccc21 742435321 STXWWGMXSWHNOB-NTMALXAHSA-N 286.277 3.883 30 20 CHED C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)[C@@H](C)[C@@H]1C 841889357 CHENXNKGPQMKAX-OAGGEKHMSA-N 285.435 3.513 30 20 CHED Cc1ccc(F)c(NC(=S)NN=C2CCCC[C@H]2C)c1 745005492 FKJOWCUPNVIOCU-LLVKDONJSA-N 293.411 3.987 30 20 CHED C#C[C@@H](C)OC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 744181496 SGRJMAJPTRLBPE-HUUCEWRRSA-N 295.382 3.893 30 20 CHED CCN(C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21)[C@H](C)C#N 598361369 HMWGLPQXKFIBEO-ZNMIVQPWSA-N 284.403 3.737 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(C2SCCS2)c1 845102325 UWHCYCGFAWPYDG-JTQLQIEISA-N 292.429 3.653 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(C)c(C)cc1O 741762825 PEYMEQAAYDYORH-UHFFFAOYSA-N 293.370 3.803 30 20 CHED CCCCCCCCOC(=O)c1cc(C(C)=O)c[nH]1 918911421 QAVBZIUTYBRWFN-UHFFFAOYSA-N 265.353 3.735 30 20 CHED O=C1/C(=C/c2cnc3ccccn23)Cc2c(Cl)cccc21 740765241 SWFOBLXJQNTDBT-DHZHZOJOSA-N 294.741 3.810 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)/C=C\C1CCCC1 843534927 ANJPNXHYGBVPSO-NTMALXAHSA-N 284.359 3.642 30 20 CHED CCN(C(=O)c1sc2cccc(F)c2c1C)[C@@H](C)C#N 598350599 QEILCWGMMBSZHI-VIFPVBQESA-N 290.363 3.723 30 20 CHED Cc1ccc(NN=C2[C@H]3CCCO[C@H]3C2(C)C)cc1 743417444 JBWXUQWZTNWQEQ-UKRRQHHQSA-N 258.365 3.598 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N2CCC(CCC#N)CC2)[C@H](C)C1 591936931 LPZADLAGHQCPAK-FMKPAKJESA-N 291.439 3.536 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C/C1CCCC1 843574133 AABISFHBMNMNEJ-MDZDMXLPSA-N 273.376 3.583 30 20 CHED CS[C@H]1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 597261663 JZEPNFYMZOBXPD-KGLIPLIRSA-N 294.464 3.641 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@H](N)[C@@H](CC)C1 841661565 YAGTVNSTXBDQKF-HOTGVXAUSA-N 297.487 3.506 30 20 CHED CC[C@@H](C/N=C/c1cc(OC)ccc1O)CC(F)(F)F 840710277 IQDXBGYBAWWAOU-SVXRXWARSA-N 289.297 3.798 30 20 CHED CC(C)(C#N)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 920041341 TUKIUMPAGSMONV-CHWSQXEVSA-N 264.413 3.505 30 20 CHED Fc1cccc(F)c1-c1ccc(C=NOCC(F)F)o1 758900204 RREBLLZUAPSDEW-UHFFFAOYSA-N 287.212 3.840 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 929532414 RAQFCCIAXIGFFJ-PBHICJAKSA-N 287.403 3.961 30 20 CHED CC1(C)CCC[C@H](C=NNc2nc(O)c3ccccc3n2)C1 752733103 GXGYEKCCLMKPQS-LBPRGKRZSA-N 298.390 3.950 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)CCc1ccncc1 851144086 PFSOROLSKPGNCI-JKSUJKDBSA-N 273.376 3.692 30 20 CHED C=CC(C)(C)CCOC(=O)[C@H]1CC(=O)c2ccccc21 851300491 URXQJBLBUFEDQI-AWEZNQCLSA-N 272.344 3.502 30 20 CHED C#CCCCCNC(=O)c1cc2ccc(C(C)C)cc2[nH]1 758627044 NSGNLXDDORDKPI-UHFFFAOYSA-N 282.387 3.825 30 20 CHED Fc1c(Cl)cccc1C=Nn1cnc2ccccc21 759648207 JDDUGGUSTKZTHZ-UHFFFAOYSA-N 273.698 3.711 30 20 CHED C[C@H](OC(=O)C1CCC(F)(F)CC1)c1cccc(C#N)c1 759305561 GCEZUOODRYWDKO-NSHDSACASA-N 293.313 3.988 30 20 CHED Cc1ccc(C(C)C)c(OCCC(=O)OCCCC#N)c1 751828066 PKRHLSJDAVQZPT-UHFFFAOYSA-N 289.375 3.734 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(C)ccc2O)cc1F 757467596 GVTNDEXTUYMOHC-QPJJXVBHSA-N 286.302 3.744 30 20 CHED CO[C@H](C/N=C/c1cc2ccccc2nc1O)C1CCCC1 852998258 JPKSLBJEVWHAGS-HDZGYNCQSA-N 298.386 3.565 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 855254372 JGVMNYPPPCKOAD-HUUCEWRRSA-N 284.403 3.966 30 20 CHED C[C@]12CCN([C@@H](C#N)c3ccccc3)C[C@@H]1C2(Cl)Cl 852023511 MERBBFZTZFQKAU-IHRRRGAJSA-N 295.213 3.767 30 20 CHED CC(Cc1cccc(F)c1)=NNc1ccccc1F 759193181 DOBXBZPCQRIZQX-UHFFFAOYSA-N 260.287 3.995 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(Cl)c(F)c1 851208446 VHBDJHYKNJEVEZ-VIFPVBQESA-N 283.730 3.964 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc2c(c1)CCN2C 751536951 YNIOQGXRRUFMPE-XQRVVYSFSA-N 283.396 3.945 30 20 CHED CCCc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 758110746 PQTVFJCLDTVYQO-UHFFFAOYSA-N 278.355 3.957 30 20 CHED C=CCOc1ccc(C=NO[C@@H]2CCCCO2)cc1Cl 755816734 VZCOFEOXGWLGKJ-OAHLLOKOSA-N 295.766 3.782 30 20 CHED CC(=NNC1CCOCC1)c1cc(Cl)sc1Cl 757596435 AXSQSOWWPFTBRJ-UHFFFAOYSA-N 293.219 3.548 30 20 CHED CC(C)[C@H](N[C@H](C#N)c1ccccc1)[C@H](O)c1ccccc1 852034441 GTLJPYMFRUDHRA-CEXWTWQISA-N 294.398 3.599 30 20 CHED C#CCCCC(=O)O[C@@H](CC)c1cccc(OCC)c1 758580203 JFNFSYIFYVDEIG-INIZCTEOSA-N 274.360 3.883 30 20 CHED CC(C)N(CC1CC1)C(=O)Nc1ccc(C#N)cc1Cl 930434345 QKCDHTFQSJCOEC-UHFFFAOYSA-N 291.782 3.864 30 20 CHED C/C(=C\C(=O)O[C@@H](C#N)C(C)(C)C)c1cccs1 857017155 CLQDXJROOYRHQS-OANVXVOSSA-N 263.362 3.633 30 20 CHED Cc1cc(C)c(C=NNc2cccc(Cl)c2F)[nH]1 760254872 SNJORZGHGKNYJN-UHFFFAOYSA-N 265.719 3.870 30 20 CHED CCN(CC)c1ccc(/C=N\Cc2cncc(C)c2)c(O)c1 760227258 MOUNNQGIRSRZLS-MOSHPQCFSA-N 297.402 3.561 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1c1nccn1CC 935782905 ARGPTMWNPOSGLU-GJZGRUSLSA-N 289.423 3.559 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1-c1noc(C)n1 930261613 WYBIPQAAWDXEMF-GFCCVEGCSA-N 285.347 3.586 30 20 CHED Clc1ccc(NN=C2CCN3CCC[C@@H]23)c(Cl)c1 765561695 BWYPFIOXDGJFIM-ZDUSSCGKSA-N 284.190 3.629 30 20 CHED CC(C)N1CCC(CCN[C@H](C)c2cccc(C#N)c2)CC1 866467391 GSWUAHLRKBQHPJ-MRXNPFEDSA-N 299.462 3.719 30 20 CHED C[C@H]1CC(=NNCCc2ccccc2F)CC[C@H]1C 767388002 PQCQORBYNGLRHS-OLZOCXBDSA-N 262.372 3.770 30 20 CHED Cn1cc(NN=C(CC(C)(C)C)c2ccc(F)cc2)cn1 761859793 AZYTZUWVEGZGJP-UHFFFAOYSA-N 288.370 3.812 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(F)cc1F 768376012 ZRSWLDHCTYAHNQ-UHFFFAOYSA-N 281.302 3.842 30 20 CHED N#C[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 932147131 ADHHYAWYDTZGSR-CYBMUJFWSA-N 283.400 3.546 30 20 CHED CC(C)(C#N)CCCCOC(=O)/C=C\c1ccco1 768372077 DMSWZTOZXZLWTF-FPLPWBNLSA-N 261.321 3.556 30 20 CHED CCO[C@H]1CCCC1=NNc1ccc(Cl)cc1 766425292 YPSIETKLDRCDSX-ZDUSSCGKSA-N 252.745 3.697 30 20 CHED C#CCOc1ccc(C(=O)N([C@@H](C)CC)[C@@H](C)CC)cc1 767503011 BYOXJTANRZNTFW-GJZGRUSLSA-N 287.403 3.738 30 20 CHED Clc1cccc(C=NOC[C@@H]2CCCOC2)c1Cl 769877859 LWWHNVVYPYXNSI-SNVBAGLBSA-N 288.174 3.771 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 769656303 ZZHIGKOJITVESD-LBPRGKRZSA-N 282.387 3.559 30 20 CHED C=C[C@H](COC)Nc1cc(C(C)(C)C)nc(C(C)C)n1 1116793445 WGEVICULEBKHAG-GFCCVEGCSA-N 277.412 3.510 30 20 CHED COc1cc(/C=C2/COc3c(C)cccc3C2=O)ccc1F 1116377861 QXTPJUHMFLXPND-JYRVWZFOSA-N 298.313 3.801 30 20 CHED C=C(CC)COC(=O)CCC(=O)c1cc(C)ccc1C 773428218 AVFALFNJOWXDPP-UHFFFAOYSA-N 274.360 3.776 30 20 CHED CC1(C)CCC/C(=C\c2ccc(F)c(C#N)c2)C1=O 770573517 ZAAJTDAURCSVJU-XYOKQWHBSA-N 257.308 3.860 30 20 CHED C=C(CC)COC(=O)c1csc(-c2cccs2)n1 773480990 GETAQKXMAVIEDA-UHFFFAOYSA-N 279.386 3.995 30 20 CHED C(/C=C/c1ccccc1)=NNc1ccc2[nH]ncc2c1 779811408 GRBHTAQOQVDFHJ-ZFENKPHASA-N 262.316 3.674 30 20 CHED C=CCC1(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)CCCCC1 1117756685 ONLQWULJXFQIEU-HOTGVXAUSA-N 291.435 3.541 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1ccc2ccccc2n1 779818752 MUQYMRQQSNIDIZ-UHFFFAOYSA-N 287.326 3.557 30 20 CHED CC1(C)CCC[C@H]1c1nnc(-c2ccc(C#N)cc2)o1 1118430626 VIAGVGMAVDXBOR-ZDUSSCGKSA-N 267.332 3.902 30 20 CHED C[C@H]1C[C@H](OC(=O)c2cc(C#N)cs2)CC[C@H]1C 770992121 BSHZVLFURQZSAV-JFGNBEQYSA-N 263.362 3.601 30 20 CHED C#CCCCCCC(=O)Oc1ccc(Cl)cc1F 779744649 ZKFDFRNIIZQJJE-UHFFFAOYSA-N 268.715 3.968 30 20 CHED CCC(CC)[C@@H]1C[C@H](/N=C\c2cccc(O)c2O)CCO1 777873851 VCTUJFCNAUSHMJ-PVTYMZIPSA-N 291.391 3.501 30 20 CHED N#Cc1cc(NC(=O)CC2=CCCCC2)c(F)cc1F 876345320 DBZFNGYVCLYRCO-UHFFFAOYSA-N 276.286 3.665 30 20 CHED C[C@H](/N=C/c1ccccc1O)c1ccc(N(C)C)cc1 773908877 YLCINJWQRVIBGF-HTMJNSLASA-N 268.360 3.638 30 20 CHED CC(C)c1nccnc1NN=C1C[C@@H](C)C[C@H](C)C1 773091510 RVFDVYDQKBFBIA-RYUDHWBXSA-N 260.385 3.824 30 20 CHED C[C@H](CCO)C1(C/N=C\c2cc(Cl)ccc2O)CCC1 775632400 YNHKCCLTKIIINZ-HIPMGEKLSA-N 295.810 3.653 30 20 CHED N#Cc1ccc(N2CCC(c3ccncc3)CC2)c(Cl)c1 1120037074 AOOLPTBTBUCXLI-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C#CC[C@H](NC(=O)N1[C@@H](CC)CC[C@H]1C)c1ccccc1 772526291 LRUTVGDKYKVAHH-PVAVHDDUSA-N 284.403 3.724 30 20 CHED C=C(CC(C)C)C(=O)N1CC(C)(C)[C@H]1c1ccncc1 1123793718 UHFWRZIDSCAFIV-OAHLLOKOSA-N 272.392 3.593 30 20 CHED Cc1oc(-c2ccccc2)nc1COC(=O)CC(C)(C)C#N 785097390 PVCCBFAGUZTZJO-UHFFFAOYSA-N 298.342 3.633 30 20 CHED C#CCC1(C(=O)Nc2cc(CCCC)[nH]n2)CCCCC1 788588236 PORAQTFFKRKWGQ-UHFFFAOYSA-N 287.407 3.665 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2cc(OC)ccc21 785485761 FLGMCDHCQQWIDQ-QGZVFWFLSA-N 273.376 3.577 30 20 CHED C#CCOc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1 780891897 CALHWDMKSIFINN-UHFFFAOYSA-N 296.757 3.836 30 20 CHED CCc1cccc(Cl)c1/C=C\C(=O)c1cnccn1 788734742 YCVIZZPGCOHOSO-SREVYHEPSA-N 272.735 3.589 30 20 CHED N#CCc1ccc(COC(=O)C(F)=C2CCCC2)cc1 785375874 MJWBBRODFNLQEG-UHFFFAOYSA-N 273.307 3.593 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1F 888356480 OXVTWZYBGSFWKY-ZDUSSCGKSA-N 289.354 3.740 30 20 CHED CCCCCCCCC(=O)NCC[C@@H]1CCCCO1 780315407 RDNJOKCZXGFZEG-HNNXBMFYSA-N 269.429 3.812 30 20 CHED C=CCCCCCOC(=O)c1c(F)ccc(OC)c1OC 784894662 ILVHSVBEMNIJAX-UHFFFAOYSA-N 296.338 3.746 30 20 CHED CC(C)(C#N)CNC(=O)/C=C\c1ccc(C(C)(C)C)cc1 782098153 BMCMDTGEEVJLJB-FLIBITNWSA-N 284.403 3.663 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2nc(-c3ccncc3)no2)C1 783840432 JFOAEVGTLKWPKW-CHWSQXEVSA-N 299.378 3.746 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(F)c(Cl)c1 780252156 ZNMGDCPITOKPHD-LBPRGKRZSA-N 298.789 3.750 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1nccc2sccc12 780212455 PKZVNYGLHIFDSP-UHFFFAOYSA-N 295.367 3.764 30 20 CHED CCC[C@H](C(=O)Nc1cc(OC)c(C#N)cc1F)C(C)C 1131492867 DBCBVUOLMKMQHB-LBPRGKRZSA-N 292.354 3.717 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cc(C(=O)O)cs2)c1 782200717 NRXXXPMHQITNOU-ARJAWSKDSA-N 286.352 3.959 30 20 CHED C=C[C@@H]1CCCCN1C(=S)N[C@@H](C)c1ccccc1 782407581 JFNQRFRLJFSCLV-DZGCQCFKSA-N 274.433 3.663 30 20 CHED CC(C)(CC(=O)N(CC#N)c1ccccn1)C1CCCCC1 892471071 PNQXCSPCQKYVHK-UHFFFAOYSA-N 299.418 3.935 30 20 CHED Cc1ccc(C2CC(=NNc3ncncc3Cl)C2)cc1 780283274 RRABJHIOAWVTHG-UHFFFAOYSA-N 286.766 3.784 30 20 CHED CCn1nc(C=NN[C@H]2CCCC2(C)C)c2ccccc21 782289690 VKVFILDCXXYDIM-INIZCTEOSA-N 284.407 3.558 30 20 CHED Cc1cccc(CN(C)CCc2ccc(C#N)cc2)c1 1208920917 SZCHMILJOVABKW-UHFFFAOYSA-N 264.372 3.541 30 20 CHED C=CCOCC(=O)O[C@@H]1C[C@@H](C(C)C)c2ccccc21 797100251 SIPYPGSTFNZCTR-JKSUJKDBSA-N 274.360 3.617 30 20 CHED C[C@@]1(C=NNc2ccc(C(F)(F)F)cn2)CCCS1 792884765 DWAIBBUIWNIAAI-NSHDSACASA-N 289.326 3.784 30 20 CHED C=CCC[C@@H](NC[C@]1(O)CCc2ccccc21)c1ccco1 796842374 ZCMLZKHZBYFKNF-IEBWSBKVSA-N 297.398 3.711 30 20 CHED CC[C@@H](C)NN=Cc1c(C)[nH]c2ccc(Cl)cc12 790181928 APJVQTZXVONLGX-SECBINFHSA-N 263.772 3.852 30 20 CHED C=CC(C)(C)Cc1nc(-c2cncc(Cl)c2)no1 896773703 LTMMFPVZLHSTJM-UHFFFAOYSA-N 263.728 3.540 30 20 CHED C[C@H](NN=Cc1cn(C)c2ccccc12)C(C)(C)C 793110950 DDGAYFPFKRAJLB-LBPRGKRZSA-N 257.381 3.536 30 20 CHED COCCCON=C(C)c1cc(Cl)sc1Cl 795050457 CLZOQXSKADAMDK-UHFFFAOYSA-N 282.192 3.832 30 20 CHED CC(C)(C#N)CNC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 1138155917 HRKCOORVWHLZQL-UHFFFAOYSA-N 297.402 3.745 30 20 CHED CCCC1(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)CCC1 792111128 RDFQLUHTMTZYKE-ZDUSSCGKSA-N 293.370 3.776 30 20 CHED CCCCCCCC(=O)Nc1ccn2ccnc2c1 798140968 MTUDFNZREZBRMV-UHFFFAOYSA-N 259.353 3.633 30 20 CHED C#CCN(CC)Cc1cc(Br)c(Cl)s1 792167342 NZQPJRBTYNGVDP-UHFFFAOYSA-N 292.629 3.619 30 20 CHED Cc1nc(-c2ccc(C(=O)OCCCC#N)cc2)cs1 799519890 YSHKTZZPWMZTES-UHFFFAOYSA-N 286.356 3.579 30 20 CHED CC[C@@H]1C[C@H]1CN1CCC(c2ccc(C#N)cc2)CC1 1308113945 IYLXOEUPCPVMBD-QAPCUYQASA-N 268.404 3.784 30 20 CHED COc1ccc(C#N)cc1CN1CCCc2cccc(F)c21 1168034696 KYVXPZCEOZSGGE-UHFFFAOYSA-N 296.345 3.659 30 20 CHED CC[C@H](C)[C@H](C)N(Cc1ccc(C#N)c(OC)c1)C1CC1 1308616430 VPVXXKBVFHIQEO-KBPBESRZSA-N 286.419 3.966 30 20 CHED CC1(C)CCC(C)(CNc2cccc(C#N)n2)CC1 1472807776 VIEABUUCIDPMJX-UHFFFAOYSA-N 257.381 3.972 30 20 CHED CCN(Cc1nc(C)cs1)[C@@H](C)c1ccc(C#N)cc1 81666105 IFYXYVVMBIFHFN-ZDUSSCGKSA-N 285.416 3.906 30 20 CHED N#CCCN(CC1CC1)C(=O)c1csc2ccccc12 171545958 KXCFFROCUCQYRT-UHFFFAOYSA-N 284.384 3.667 30 20 CHED N#Cc1cc(-c2nnc([C@H]3CCCCO3)o2)ccc1Cl 1326569274 VYTOACXMUFLZPC-GFCCVEGCSA-N 289.722 3.503 30 20 CHED N#Cc1ccc(N2CCc3cccc(F)c3C2)cc1Cl 301985168 YXHKNWZIYQTYSV-UHFFFAOYSA-N 286.737 3.913 30 20 CHED C=CCCCOC(=O)c1c(F)cccc1Br 750379907 JCGFNWSWFXMXCK-UHFFFAOYSA-N 287.128 3.711 30 20 CHED CC(C)(C)CN(CCC#N)CCc1ccc(F)cc1F 1325158362 QKUFURKNSKTSRO-UHFFFAOYSA-N 280.362 3.769 30 20 CHED C#CCCCN[C@H](C)c1ccc(F)cc1C(F)(F)F 705527473 NHRCMZJFYJYQEK-SNVBAGLBSA-N 273.273 3.909 30 20 CHED COc1ccc(O)c(/C=N/Cc2ccc3c(c2)CCC3)c1 1323089463 XVBZMFBRMZVPQK-XDHOZWIPSA-N 281.355 3.509 30 20 CHED N#CC1(c2ccccc2)CC(Nc2ccc3c(c2)CCN3)C1 1329023735 NQCCZDZGXQQUHT-UHFFFAOYSA-N 289.382 3.690 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(OC)cc1F 595059807 PECPDSKPEJJGAS-LBPRGKRZSA-N 283.412 3.794 30 20 CHED CC1(C)CN(Cc2cccc(F)c2C#N)CC(C)(C)C1 1180603074 OTBZGLRBRLTFIV-UHFFFAOYSA-N 274.383 3.955 30 20 CHED C=C(C)CCC(=O)N[C@@H](COC)c1ccc(Cl)cc1 1335892929 FELXYRLJGDXGBA-AWEZNQCLSA-N 281.783 3.500 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(OCOC)cc1 1333067654 UIMRCSPDRJNHIP-CYBMUJFWSA-N 292.379 3.536 30 20 CHED N#Cc1ccc(N[C@H]2CCCOCC2)cc1C(F)(F)F 88191368 MTFINUMRBMBAJO-NSHDSACASA-N 284.281 3.558 30 20 CHED C#CC(C)(C)N(C)Cc1coc(-c2cccc(Cl)c2)n1 787998353 ZWTPHEANCTWVCD-UHFFFAOYSA-N 288.778 3.839 30 20 CHED N#CCOc1cccc(NCc2ccc3c(c2)CCC3)c1 1254338210 IEWHGEDZLOGOPB-UHFFFAOYSA-N 278.355 3.690 30 20 CHED C=CCC1(c2nc(-c3cccc(O)n3)no2)CCCCC1 1334414520 DHYAYXQEHCPKOB-UHFFFAOYSA-N 285.347 3.615 30 20 CHED CC(C)c1ncsc1C(=O)O[C@H](CC#N)c1ccco1 1347948244 CNTWDGRZFKZGOG-LLVKDONJSA-N 290.344 3.671 30 20 CHED CN(C(=O)c1cc(F)cc2ccoc12)c1ccccc1C#N 1266171351 UFYKNTXCKNJNJO-UHFFFAOYSA-N 294.285 3.720 30 20 CHED C=C[C@H](CC)CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 1346148393 SZHUAKDYGHGBCJ-ZYHUDNBSSA-N 296.292 3.879 30 20 CHED COc1cccc([C@@H](C)C(=O)O[C@@H](CC#N)c2ccco2)c1 1346720512 TUMHZHODQYWDNV-WBMJQRKESA-N 299.326 3.590 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)O[C@H](CC#N)c1ccco1 1345546427 FFUYPBHBWVCZOU-MBNYWOFBSA-N 261.321 3.604 30 20 CHED CCC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nccn1CC 1349703097 VNKPDLWJZFPCFQ-KBPBESRZSA-N 275.396 3.542 30 20 CHED CCCCCCCC(=O)NCCCc1ncccc1C 1344507415 RYGJQGAUOVSSGL-UHFFFAOYSA-N 276.424 3.799 30 20 CHED C=C(CC)C(=O)Nc1ccc(Br)cc1C 1350805043 YMUXWECYRCBNDO-UHFFFAOYSA-N 268.154 3.662 30 20 CHED Cc1ccc(N(C)C(=O)c2cc(C#N)ccc2C)cc1C 1357567836 RBMDWOXBABDRNC-UHFFFAOYSA-N 278.355 3.760 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2CCCOc3ccccc32)s1 1519601877 VLSGIPOKTJWGTQ-CQSZACIVSA-N 299.351 3.690 30 20 CHED C=C(CC)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F 1528017266 LJPSDZPPQMAOSM-NSHDSACASA-N 263.303 3.580 30 20 CHED Cc1ccc(F)cc1[C@H](C)OC(=O)c1cc(C#N)cs1 1521220291 KDYGYVMFNIPTAU-JTQLQIEISA-N 289.331 3.985 30 20 CHED N#Cc1cc(N(CC2CCCCC2)C2CC2)ccn1 1458121273 LWFMKJGNYSMDHJ-UHFFFAOYSA-N 255.365 3.502 30 20 CHED CC1=C(C(=O)N(c2ccccc2C#N)C2CCC2)CCC1 1461561626 WXRAWXDGBINPRJ-UHFFFAOYSA-N 280.371 3.944 30 20 CHED C=C(Br)CN[C@@H](C)[C@@H]1CCC[C@H](C)C1 1473553968 UNNWTPHPLJMPQP-ZMLRMANQSA-N 260.219 3.699 30 20 CHED CC(C)CC1CCN(C(=O)c2ccc(C#N)cc2F)CC1 1545351498 VAJRUESQXFXNOD-UHFFFAOYSA-N 288.366 3.596 30 20 CHED CCCSc1cccc(N[C@H]2CC[C@H](C#N)C2)n1 1621474419 VDGKPMYDVSMUBQ-RYUDHWBXSA-N 261.394 3.688 30 20 CHED C=C(CNC(=O)NCC1(CCC)CCC1)c1ccccc1 1633197456 WQBNEGNHEGDJGM-UHFFFAOYSA-N 286.419 3.969 30 20 CHED C=CCCCCCCCNC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1635938471 NKTUMPGMZBFSAT-LVQVYYBASA-N 278.440 3.857 30 20 CHED CCN(CCSc1cccc(Cl)c1)C[C@H](C)C#N 1644454001 WDTXRTXAWOKVOR-GFCCVEGCSA-N 282.840 3.914 30 20 CHED CCS[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1C#N 1645559132 WWGJSWOHRPLTTG-LSDHHAIUSA-N 294.851 3.975 30 20 CHED CC1(C)CCC[C@@H]1CNc1c(C#N)cccc1C#N 1642719685 HTNZWYHIEWUXTR-CQSZACIVSA-N 253.349 3.668 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1Nc1ncc(C#N)cc1F 1650821246 SASRCCMAKHSWOR-GXFFZTMASA-N 261.344 3.719 30 20 CHED N#Cc1ccc(SCc2ccns2)c(Cl)c1 1651873865 WSQJNPNWNSAHJQ-UHFFFAOYSA-N 266.778 3.960 30 20 CHED CCC[C@@H](C)N1CCN(c2ccc(C#N)cc2Cl)CC1 1658458518 VDQYQUYTSDKVOF-CYBMUJFWSA-N 291.826 3.522 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCCC[C@H]2C)c1 1662638467 ZOYJDMWGEYMXRU-CJNGLKHVSA-N 285.391 3.909 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)cc1)C1CCCC1 1597086463 NJPFQKOWQRIJMJ-INIZCTEOSA-N 270.376 3.647 30 20 CHED Cc1cccc(C[C@@H](C)NCc2ccc(C#N)c(F)c2)c1 1660032398 OTAQMAGTIWKYRW-CQSZACIVSA-N 282.362 3.727 30 20 CHED Cc1nc(NC[C@H]2CCCC(C)(C)C2)ccc1C#N 1640035853 AULRPBLADRTBHC-ZDUSSCGKSA-N 257.381 3.890 30 20 CHED C=CCc1ccccc1CN[C@H](CC(=O)O)CC(C)(C)C 1776188446 PYOHFRGTYHVWGN-MRXNPFEDSA-N 289.419 3.784 30 20 CHED C=CCN(Cc1cccc(F)c1)[C@H](C(=O)O)c1ccccc1 1776181642 FCXVDJMIEYLGRK-KRWDZBQOSA-N 299.345 3.640 30 20 CHED CCCCCC(CCCCC)=NN[C@@H](CC)C(=O)O 1776065928 MQNHFVSEBQWJEM-AWEZNQCLSA-N 270.417 3.956 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)[C@@H]1C[C@H]2C=C[C@H]1CC2 1776013096 HNWLWXDOAMVPOC-XEZPLFJOSA-N 284.359 3.775 30 20 CHED O=C(O)c1ccc(C=NNc2cc(F)cc(Cl)c2)cc1 1776091528 SJPXQKQXSHNLAY-UHFFFAOYSA-N 292.697 3.623 30 20 CHED N#Cc1ccc(NCc2ccc(Br)s2)cc1 19951560 SNOLBAQMDFNKJP-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C=CCN(C)C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 161720196 HMVOWCPBMWNBJZ-JKSUJKDBSA-N 281.440 3.787 30 20 CHED N#CCc1ccc(NC[C@H]2CCOc3ccccc32)cc1 169061481 FMVBQZIEFRAZGM-OAHLLOKOSA-N 278.355 3.731 30 20 CHED C=C(C)CNC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 160939293 JOQYNVMIAAOHPA-JTQLQIEISA-N 286.202 3.864 30 20 CHED C=C(C)CCNc1cc(OC)c(Cl)cc1OC 164417604 ZEQVKCOXWVFTKL-UHFFFAOYSA-N 255.745 3.735 30 20 CHED CC[C@H](Nc1nccc(C#N)c1[N+](=O)[O-])C1CCCCC1 167514915 MTXHOOYYCZJHIV-ZDUSSCGKSA-N 288.351 3.632 30 20 CHED C=CCCCCCN(C)C(=O)NCc1cccs1 153364704 BDOZMRTZMHVPTC-UHFFFAOYSA-N 266.410 3.636 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)c1cccc(C)c1C 156493187 IFMBKPNNIGSTJD-UHFFFAOYSA-N 297.329 3.707 30 20 CHED CCOc1cc(C#N)ccc1OCCOc1cccc(C)c1 11958908 FLYSPHXVBKDIGR-UHFFFAOYSA-N 297.354 3.723 30 20 CHED N#Cc1ccc(OCC(=O)c2cccs2)cc1Cl 220988056 DIRBGJQGJSDPBS-UHFFFAOYSA-N 277.732 3.535 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)[C@H]1CCCNC1 116306669 JDUKHMDPJFWMPJ-CVEARBPZSA-N 282.472 3.631 30 20 CHED CCCCCCCCC(=O)NC[C@@H](O)c1ccsc1 155307741 TYWQUNLLPZKYTJ-CQSZACIVSA-N 283.437 3.648 30 20 CHED N#CCOc1ccc(CNCCC2CCCCC2)cc1 37501060 OHOIFBPPTVSJOQ-UHFFFAOYSA-N 272.392 3.649 30 20 CHED C=CCNc1cc(F)c(Br)cc1OCC 309036364 IKNMAKBZULWBHM-UHFFFAOYSA-N 274.133 3.585 30 20 CHED CCOC[C@@H]1CCCCN1Cc1ccc(C#N)cc1Cl 313488448 UJLBILHVHYJYPG-HNNXBMFYSA-N 292.810 3.603 30 20 CHED N#Cc1cnc(N2CCCC23CCCCC3)c(Cl)c1 535359162 IKOAWFIVMIYLDH-UHFFFAOYSA-N 275.783 3.910 30 20 CHED N#CC1(CN(Cc2ccccc2)Cc2ccco2)CCC1 450240618 IMBBYMBMFRHMPD-UHFFFAOYSA-N 280.371 3.976 30 20 CHED N#CCc1ccc(C[S@@](=O)CC2CCCCC2)cc1 342117290 DHXCYUGCFAWAAC-IBGZPJMESA-N 275.417 3.582 30 20 CHED Cc1cc(CN(C)CCc2ccccc2)ccc1C#N 486736000 KYKBTFRDBPEWAQ-UHFFFAOYSA-N 264.372 3.541 30 20 CHED C=CC[C@H](CC)NCc1cc(Cl)cc2c1OCC2 393844083 BPHOACHOENWXEX-AWEZNQCLSA-N 265.784 3.719 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 7741424 LOQDIFHPRIJONZ-RUDMXATFSA-N 285.274 3.938 30 20 CHED Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1C 10745605 HHDXGGQDSIGESB-UHFFFAOYSA-N 278.355 3.746 30 20 CHED C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(Cl)s1 32038537 UMZIJKYICWYKRG-SECBINFHSA-N 290.775 3.764 30 20 CHED C[C@H]1CCC[C@H](C)N1CCCOc1ccc(C#N)cc1 34674289 LDAGUWZSONTKGS-GJZGRUSLSA-N 272.392 3.590 30 20 CHED N#Cc1ccc(Cl)cc1NCc1ccc(F)cc1 36954236 WIEMNNJYOMBGKJ-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 36991894 CAJSHMBAJINFLV-KBPBESRZSA-N 275.355 3.842 30 20 CHED CCc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)s1 41496078 ROTPKCYTEYJPCG-LLVKDONJSA-N 295.367 3.677 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cccc(Cl)c1Cl 42426989 INDXZXURNWMKBH-SECBINFHSA-N 285.174 3.615 30 20 CHED N#Cc1cccc(CN(Cc2ccccc2)C2CC2)c1 43643199 IKMKTOYWDAEBCI-UHFFFAOYSA-N 262.356 3.723 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)C1(C#N)CCCCC1 44385250 LINCZYOOYSTGIE-OAHLLOKOSA-N 284.403 3.598 30 20 CHED CCCc1ccc(S(=O)(=O)/N=C(\O)C(CC)CC)cc1 48518786 VDHWBJWOELFQQJ-UHFFFAOYSA-N 297.420 3.721 30 20 CHED CN(Cc1ccccc1Cl)c1snc(Cl)c1C#N 48545111 HGTODTUZGYRLNA-UHFFFAOYSA-N 298.198 3.958 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1F)c1cccs1 49530756 LNQKPPJTDXHUFI-CQSZACIVSA-N 274.364 4.000 30 20 CHED CCCOc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 53091041 SXANNHKTSZMOOH-UHFFFAOYSA-N 292.334 3.938 30 20 CHED CCOc1ccc(CCC2CCN(CCC#N)CC2)cc1 53907405 LQSNZPJPXQETSP-UHFFFAOYSA-N 286.419 3.644 30 20 CHED N#Cc1ccccc1CN1CCC(c2ccc(O)cc2)CC1 55102841 VFUFCVKKCRJMTQ-UHFFFAOYSA-N 292.382 3.643 30 20 CHED N#CCCCSc1cccc(Br)c1 55307714 OGROBMDTUATTEZ-UHFFFAOYSA-N 256.168 3.845 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2cccc(CC#N)c2)c1 55899235 DUTOQDPLZDCUQW-UHFFFAOYSA-N 278.355 3.646 30 20 CHED Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1Cl 58243046 IEYXCMMWSCJWNM-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#CCCCCN(Cc1cccc(F)c1)C[C@H]1CCCO1 60366502 NMQWBTYODMFFBA-QGZVFWFLSA-N 290.382 3.501 30 20 CHED CC(C)COc1ccccc1CNCc1cccc(C#N)c1 60526952 VJXFKXQSDLINGD-UHFFFAOYSA-N 294.398 3.883 30 20 CHED CC(C)(C)N1CCC(=NNc2ccc3ccccc3n2)CC1 60798916 YGLLRWCURUFNIL-UHFFFAOYSA-N 296.418 3.897 30 20 CHED N#Cc1ccc(Cl)cc1N1CCc2ccccc2C1 62789828 CRKQLQVYFPQCHA-UHFFFAOYSA-N 268.747 3.774 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1C 69357136 GAMRCIDGIHYGDZ-CQSZACIVSA-N 291.391 3.702 30 20 CHED CCN(Cc1cccc(Cl)c1)c1ccc(C#N)cn1 76829609 WMCOAIWMACXNIL-UHFFFAOYSA-N 271.751 3.633 30 20 CHED Cc1cccc2c(CC(=O)Nc3cccc(C#N)c3)c[nH]c12 78059358 PELSGIUGSFFRQI-UHFFFAOYSA-N 289.338 3.529 30 20 CHED N#Cc1ccc(OCCN(CC2CC2)C2CCCCC2)cc1 78459069 NHRPBUMCVONZOX-UHFFFAOYSA-N 298.430 3.982 30 20 CHED CCC(CC)(CC)NCc1nnc(-c2cccc(C#N)c2)o1 81156880 NMMFJHSLFXAQNA-UHFFFAOYSA-N 298.390 3.667 30 20 CHED CN(CCC#N)CCOC(c1ccccc1)c1ccccc1 83218027 CIOSFVAPEMVYMS-UHFFFAOYSA-N 294.398 3.638 30 20 CHED Cc1cccc(CNCc2ccc(C#N)cc2F)c1C 83510161 HVPCKDKKXKKSEQ-UHFFFAOYSA-N 268.335 3.604 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C#N)cs2)c1 84182407 LESHFCYQQSRNNV-HNNXBMFYSA-N 296.395 3.906 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccc(SC(F)F)cc1 86279496 UKPAJAPBPHLXGC-VIFPVBQESA-N 299.346 3.767 30 20 CHED C=C(Br)COc1cc([N+](=O)[O-])ccc1Cl 86453390 YSFBWOBCNBFORV-UHFFFAOYSA-N 292.516 3.536 30 20 CHED C=CCCC(=O)N[C@H](CC)c1nc(-c2ccccc2)c[nH]1 102338651 DJLICICWCSRJOJ-CQSZACIVSA-N 283.375 3.610 30 20 CHED C=C(Br)CNC(=O)C[C@H](CC)CCCC 117244496 ILSPUBYYESNKHW-LLVKDONJSA-N 276.218 3.618 30 20 CHED C[C@@H](N[C@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)cc1 118443392 SIYVRLCWNBLQMV-RHSMWYFYSA-N 287.451 3.575 30 20 CHED Cc1ccoc1C(=O)/C=C/c1c(Cl)nc2ccccn12 119009567 NJMGOBSNPJPKLX-AATRIKPKSA-N 286.718 3.785 30 20 CHED C#CCCCCC(=O)N(C)[C@H](CC)Cc1ccccc1 120210165 HEGWUZUMYPVCDT-QGZVFWFLSA-N 271.404 3.660 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(C#N)cc1OC 120487313 IHRJOSBDIZMFQR-UHFFFAOYSA-N 280.371 3.589 30 20 CHED CSc1ccc(C)c(C(=O)Nc2sccc2C#N)c1 120951848 VNLCTWSLQVVVAG-UHFFFAOYSA-N 288.397 3.902 30 20 CHED CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(C#N)cc1 121117326 QXXOFWCWXXRDHV-MRXNPFEDSA-N 294.358 3.568 30 20 CHED C=CCN(C)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 121580692 QVCISAPGCLQILJ-CYBMUJFWSA-N 271.364 3.532 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1cccc(C)c1 121883434 JMKVSUFPWVVBEB-KBPBESRZSA-N 262.349 3.580 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CC)c1ccccc1OC(F)F 128500431 QOVIBVUWHFGJOU-JQWIXIFHSA-N 298.333 3.613 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 135062681 NXKCHTHYPZVBND-INIZCTEOSA-N 285.347 3.586 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)c2ccccc2)CC1 152964599 KEKSAHYEAKUFEX-SFHVURJKSA-N 272.436 3.768 30 20 CHED C=C(C)COCCNCc1ccc(F)cc1C(F)(F)F 157620233 OHOAJXBRELQYGH-UHFFFAOYSA-N 291.288 3.527 30 20 CHED COc1cc(C#N)ccc1CNc1cc(C)cc(F)c1 158258441 DFMBNSAFUYBKPT-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCOC(C)(C)CNc1ccc(C(F)(F)F)cc1C#N 159448211 IJWGHWGPEJKFGJ-UHFFFAOYSA-N 286.297 3.804 30 20 CHED Cc1ccc(C#N)c(NCCc2c(C)[nH]c3ccccc23)n1 161120730 AKFKDGCDWQMXAR-UHFFFAOYSA-N 290.370 3.706 30 20 CHED Cc1cc(C#N)ccc1CSc1ccc(C(=O)O)cc1 165110060 VKZFQSBTRBYLER-UHFFFAOYSA-N 283.352 3.857 30 20 CHED N#CCCCCN[C@@H](c1ccccc1)c1nccs1 171036388 QULACXVXSPUQLS-AWEZNQCLSA-N 271.389 3.516 30 20 CHED COc1cccc(C2CCN(CCCCC#N)CC2)c1 171036749 SFVSFJJLVUOKFJ-UHFFFAOYSA-N 272.392 3.568 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(-n2cccc2)c1 172104287 ARQQWICHTYIFHE-CYBMUJFWSA-N 269.348 3.563 30 20 CHED CC(C)(C)CNCc1cn(CCC#N)nc1-c1ccccc1 172115602 JIOUANUMQAKITH-UHFFFAOYSA-N 296.418 3.599 30 20 CHED C=CCOCCCC(=O)N(C)[C@H](c1ccccc1)C(C)C 173377016 YVMAPPGKVURLJB-SFHVURJKSA-N 289.419 3.825 30 20 CHED C[C@@H](CNC(=O)Nc1cccc(C#N)c1)Cc1cccs1 174441413 IOJCOROHWDXLLL-GFCCVEGCSA-N 299.399 3.620 30 20 CHED C[C@@H](CNCC(C)(C)CCC#N)Oc1cccc(F)c1 174581300 ADZJAUIQBNRCGY-ZDUSSCGKSA-N 278.371 3.513 30 20 CHED CCS[C@@H]1CC[C@H](N(C)CCCC(C)(C)C#N)C1 174880568 OUXPFUQLNLRJKR-UONOGXRCSA-N 268.470 3.922 30 20 CHED C=CCCCC(=O)NCC[C@@H](C)c1ccc(OC)cc1 175834441 QRTPBAXCCPVFOX-CQSZACIVSA-N 275.392 3.661 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)CC1 176355663 PYJOZZBRDRNSFW-ZDUSSCGKSA-N 283.371 3.961 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(C#N)cs1 176909160 IUIHAXSMLOOBRA-QWHCGFSZSA-N 276.405 3.661 30 20 CHED CC[C@H](Cc1ccccc1)NCc1ccc(C#N)s1 176961961 WZGFGMONJSSPNE-CQSZACIVSA-N 270.401 3.731 30 20 CHED Cc1cccnc1[C@H](NCc1ccc(C#N)s1)C(C)C 176970499 WRLIWIANWYXHPJ-OAHLLOKOSA-N 285.416 3.810 30 20 CHED Cc1cc(CCCC(=O)N(C)C2(C#N)CCC2)c(C)s1 177616081 BGAAGKDWXCFVDX-UHFFFAOYSA-N 290.432 3.592 30 20 CHED C=C[C@@H](CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 179452719 RVEADZCRHIFTSL-KRWDZBQOSA-N 290.366 3.534 30 20 CHED CCc1cccc2c(/C=C/C(=O)c3cnn(C)c3C)c[nH]c12 179849754 FCTKIRNPUOVTHU-CMDGGOBGSA-N 293.370 3.668 30 20 CHED C[C@H](Nc1ccc2cc(C#N)ccc2n1)c1ccccn1 179880729 FCJWQJHZRAOEES-LBPRGKRZSA-N 274.327 3.675 30 20 CHED C#C[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1C#N 182135581 QPIBXEQVJOTTHH-CYBMUJFWSA-N 291.306 3.529 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C)cn1 184230157 NJCGCCSUDKDZQB-UHFFFAOYSA-N 295.386 3.653 30 20 CHED CC#CCCCC(=O)N(C)Cc1cccc(C(F)(F)F)c1 185208361 ZMTGPUXJKFSWRS-UHFFFAOYSA-N 297.320 3.857 30 20 CHED C=C(C)COCCN[C@H](CCC)c1ccsc1 187796162 URYPERMTPYUZFO-CQSZACIVSA-N 253.411 3.772 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccccc2Cl)no1 188031953 QWFMJQVQFKZANN-HNNXBMFYSA-N 292.766 3.870 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1C=CCCC1 189132402 YKGJUERMZGPUBI-OAHLLOKOSA-N 262.397 3.521 30 20 CHED C=CCC1(C(=O)N2CCS[C@H]3CCCC[C@H]32)CCC1 189140105 VZXSSWZJPGAKPR-KGLIPLIRSA-N 279.449 3.619 30 20 CHED O=C(/C=C/c1nccn1-c1ccccc1)c1ccccc1 191203592 JSKHNINSFCLQGF-VAWYXSNFSA-N 274.323 3.768 30 20 CHED C[C@@H](Nc1ccc(F)cc1OCC#N)C1CCSCC1 192704160 LWMCMSUWZRBCII-LLVKDONJSA-N 294.395 3.672 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCC[C@@H](C)C1 194585093 HQQWGOVJJVVAAF-DOMZBBRYSA-N 285.391 3.909 30 20 CHED N#CCN(C(=O)CCc1ccc(Cl)cc1)c1ccccc1 194662983 YWTQCFUMUQMEOJ-UHFFFAOYSA-N 298.773 3.829 30 20 CHED CC1(C)OB(c2cc(C3CC3)cc(C3CC3)c2)OC1(C)C 201944628 JMVMHDXNOMJFFU-UHFFFAOYSA-N 284.208 3.741 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2OC)cc1F 213312547 LEMDSYJAJUJVTM-CLFYSBASSA-N 286.302 3.739 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(F)c2ccccc12 233295166 ZGGKBUUYWABZTP-LBPRGKRZSA-N 269.319 3.511 30 20 CHED CC[C@@H](C)[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 236935736 SQEGLWQGJOJNMW-HUUCEWRRSA-N 273.424 3.561 30 20 CHED C[C@H](NC(C)(C)CN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 248706381 AUCZOFNQWWTKMJ-JZXOWHBKSA-N 299.462 3.788 30 20 CHED Cc1ccccc1NC(=S)NN=C/C=C\c1ccccc1 252475010 QLGMFJKWNOVWEO-YTQSSNFRSA-N 295.411 3.981 30 20 CHED C[C@H](OC(=O)/C=C\c1ccccc1C#N)c1ccccc1 255368247 JYDHDDROIXJZNK-NYHXXUGCSA-N 277.323 3.876 30 20 CHED COc1cccc(/C=N\C[C@@H](C)Oc2cccc(C)c2)c1O 255622220 FKRXFKGNCOCGNL-VCRXTVNUSA-N 299.370 3.596 30 20 CHED N#CCCCOc1cccnc1NC(=O)C=C1CCCCC1 263815632 VVHBMVSWKPXEMR-UHFFFAOYSA-N 299.374 3.593 30 20 CHED C=C(C)Cn1c(S[C@@H](C)CC)nnc1-c1ccncc1 268835403 XVNVRKAJOIYNBF-LBPRGKRZSA-N 288.420 3.807 30 20 CHED C[C@H]1CC/C(=C\C(=O)Nc2ccc(C#N)cc2Cl)C1 269224081 PPGODBKWUZWSIV-NGPGYTDTSA-N 274.751 3.897 30 20 CHED CCC(CC)n1ccc(CSc2cc(C#N)ccn2)n1 269317476 CZGOYFAPOJMYPM-UHFFFAOYSA-N 286.404 3.803 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCc2sccc2[C@@H]1C)OCC 270162996 ZHSZXMZSGIJPDO-GXTWGEPZSA-N 293.432 3.565 30 20 CHED C[C@H](C#N)Oc1ccccc1NC/C(Cl)=C/Cl 272470713 PIAVVVLDMMLCLW-WPVMNKCKSA-N 271.147 3.708 30 20 CHED C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CC#N)C1CC1 274245681 VGRBZBSXGJUZSA-SNVBAGLBSA-N 296.292 3.671 30 20 CHED C#CCC1(C(=O)Nc2ccccc2COC)CCCCC1 276456077 NTHLGZAGRFRTNR-UHFFFAOYSA-N 285.387 3.745 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1NC(C)(C)C 276672010 NWISMDPTAIQACD-ZDUSSCGKSA-N 290.407 3.817 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 278190310 BXFWRWFVNYBHFW-MRXNPFEDSA-N 288.366 3.723 30 20 CHED C[C@H](N[C@H](C)c1c(F)cncc1F)c1ccc(C#N)cc1 285562409 HDAHJAYZJKARBM-WDEREUQCSA-N 287.313 3.643 30 20 CHED CCN(CCC#N)C(=O)c1cc2cc(C)ccc2s1 290310997 HBGGLNXTEAADMI-UHFFFAOYSA-N 272.373 3.586 30 20 CHED CCN(CC(C)(C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 291530075 PYTAAWWOAAUJTK-ZDUSSCGKSA-N 287.407 3.697 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2csnn2)cc1 292609057 WQFJKTFXRARSKN-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=CCCCCCN(C)Cc1nnc(C(C)C)s1 294958209 KUEJSYFWOYZZCH-UHFFFAOYSA-N 267.442 3.840 30 20 CHED C#CC[C@@H](NC1CCC(COC)CC1)c1ccccc1 295627484 HHQNUPCVIXYGSL-VMWRSERWSA-N 271.404 3.546 30 20 CHED C=C(Cl)CN[C@@H](C)c1cccc(N2CCCC2)c1 298895015 LVQWLYBWRJKLBW-ZDUSSCGKSA-N 264.800 3.690 30 20 CHED CCN(Cc1nccn1C(C)C)[C@H](C)c1ccc(C#N)cc1 299572218 HGRCZJYYGHZWBF-OAHLLOKOSA-N 296.418 3.919 30 20 CHED C[C@@H]1CC[C@@H](NCc2cccc(C#N)c2F)[C@H](C)C1 300241844 VXDZLABMZRZNLS-LALPHHSUSA-N 260.356 3.612 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1c1ccc(C#N)cc1 301583085 QINCFXRCFZOQDK-KDOFPFPSSA-N 262.356 3.941 30 20 CHED N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 301631542 CQQUKYHAZKIKNJ-YUELXQCFSA-N 276.767 3.581 30 20 CHED CC(C)(C)SCCNc1nc2c(cc1C#N)CCCC2 301871777 HIPKSGDYOCYYMB-UHFFFAOYSA-N 289.448 3.776 30 20 CHED CC(C)C[C@@H](Nc1ccc(C#N)nn1)c1ccccc1 301944119 WLXIJYCNFZOPQT-OAHLLOKOSA-N 266.348 3.548 30 20 CHED CCO[C@H]1C[C@@H](Nc2c(C#N)cccc2C#N)C12CCCC2 302669389 KEJGZVPEPGAJFS-CVEARBPZSA-N 295.386 3.580 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/CCC(F)(F)F)cc1 304738633 AVCHVYBXAXSUIW-JTQLQIEISA-N 287.329 3.879 30 20 CHED C=CCCCCNCc1ccc(OC)c(OCC)c1 311652618 UMBBCMBELINXHY-UHFFFAOYSA-N 263.381 3.540 30 20 CHED CCCOc1cccc(CNc2cccc(OCC#N)c2)c1 314753731 ULANFDKKLHAQMB-UHFFFAOYSA-N 296.370 3.990 30 20 CHED C[C@H](/N=C(/O)c1c[nH]c2ncccc12)[C@H]1C[C@H]2CC[C@H]1C2 328816943 OSSATKDMVXWDPN-ZJQBRPOHSA-N 283.375 3.692 30 20 CHED OC(=Nc1nncs1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 328999672 KTPVYZNLKUSCKP-HBNTYKKESA-N 265.382 3.733 30 20 CHED CC[C@]1(C)Oc2ccc(N=C(O)C[C@@H]3CCOC3)cc2O1 329991156 JQCJMKHVHDRZBV-MEDUHNTESA-N 291.347 3.599 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)N1CC2(CCC2)c2ccccc21 330036075 CIDCFALVRBPOTJ-ZFWWWQNUSA-N 295.386 3.535 30 20 CHED OC(=Nc1cccc(Cl)c1)N[C@@H]1CCOC2(CCC2)C1 330195246 ZLQOYAVVDLKVQB-CYBMUJFWSA-N 294.782 3.577 30 20 CHED Cc1ccc(/C(O)=N/[C@@](C)(C#N)CC(C)C)cc1F 330766093 UKEOGPFNPUETRI-OAHLLOKOSA-N 262.328 3.767 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)c1 333654290 LCACWIZQXMBTJS-CQSZACIVSA-N 297.402 3.911 30 20 CHED Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc(C)c1O 335187556 YVGKQKCMFXQXAI-ZDUSSCGKSA-N 294.354 3.623 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H]2CCC[C@@H](C2)C1 335966785 RFLBKKRALUBFMB-KBPBESRZSA-N 283.375 3.521 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(C#N)s1 336205951 ZMIOPTBWJRSDOB-SNVBAGLBSA-N 288.347 3.592 30 20 CHED C[C@@]1(CN=c2[nH]ccc(C#N)c2Cl)C[C@@H]1c1ccccc1 338741010 NFVWJRPMFBYJKO-PBHICJAKSA-N 297.789 3.634 30 20 CHED C[C@@]1(CNCc2cc(C#N)cs2)C[C@@H]1c1ccccc1 339445953 ALMBMOQCWAETSI-SJORKVTESA-N 282.412 3.903 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(NC(=O)CC)cc1 341365279 GJARYLCNEFAWAY-LBPRGKRZSA-N 289.379 3.511 30 20 CHED N#Cc1ccnc(NCCc2ccccc2C(F)(F)F)c1 341845047 VMBHEUOYBTZWOI-UHFFFAOYSA-N 291.276 3.627 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1C[C@@H]1c1ccccc1 342473990 LUZUFYMZFMISSB-QZTJIDSGSA-N 298.430 3.969 30 20 CHED CC(C)[C@H]1C[C@H](N=c2cc[nH]c(C#N)c2)c2ccccc21 343084217 NLBDWGZSNHTDKE-MSOLQXFVSA-N 277.371 3.672 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 345276132 WYIDYGQNWFIYNJ-NXEZZACHSA-N 296.292 3.952 30 20 CHED N#CCCCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 346812398 WRXYQLPALAGEEP-GFCCVEGCSA-N 269.175 3.874 30 20 CHED CCC1(c2ccc(Cl)cc2)CCN(CCC#N)CC1 348172517 XUMAXTKUERHCMT-UHFFFAOYSA-N 276.811 3.997 30 20 CHED C=CCC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 349345801 WYBCWDYTXZBEBL-PVAVHDDUSA-N 254.377 3.976 30 20 CHED CCCN(CC#N)C(=O)c1ccc2c(c1)oc1ccccc12 350682651 QGZJYXHEXHOTSG-UHFFFAOYSA-N 292.338 3.962 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2nn(C(C)C)cc2c1 355376941 OIICTRVQYUBICH-GFCCVEGCSA-N 286.379 3.703 30 20 CHED C=CCCCC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 362147394 FGZXXVBWCZMRRL-CQSZACIVSA-N 291.366 3.900 30 20 CHED CC(C)CC1(CNC(=O)Nc2cccc(C#N)c2)CC1 362481709 AJEBKMYTWQIARO-UHFFFAOYSA-N 271.364 3.506 30 20 CHED C#CCC1(C(=O)N2CC3(CCCCC3)C2)CCCCC1 365079757 ZVDMOXJERMJRST-UHFFFAOYSA-N 273.420 3.753 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)NCCCCC#N 369183300 LHGCOKJWCMNWRV-NVXWUHKLSA-N 299.418 3.658 30 20 CHED CO[C@@H](C1CC1)[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 388356428 QVRFLVMPKOUEGC-LKFCYVNXSA-N 298.308 3.802 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2C2CCCC2)cc1F 403983031 GNONVXCQYMBTMY-QGZVFWFLSA-N 272.367 3.852 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1c[nH]c2cc(C)ccc12 410122831 DCWZSNKOGBOLCC-OAHLLOKOSA-N 284.403 3.880 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCCc1sccc1C 410824696 DGLIBEVYGIIUGQ-ZDUSSCGKSA-N 278.421 3.530 30 20 CHED C[C@H](CC(=O)N1CCCc2cc(C#N)ccc21)C(C)(C)C 411001807 NGYRHEGSFLRCAG-CYBMUJFWSA-N 284.403 3.910 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)CC(F)F 412127315 FRWASDGMJAYAOW-SNVBAGLBSA-N 295.333 3.610 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)oc1C 412811086 BOBBKWKFPMAGLA-INIZCTEOSA-N 283.371 3.814 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCCc2nn(C)cc21 414296272 GLBMHEKJUBYFJE-AEFFLSMTSA-N 295.430 3.575 30 20 CHED C=CCOc1cccc(CNCC(C)(C)c2cccnc2)c1 414557904 MKGIJRJRDWSQDS-UHFFFAOYSA-N 296.414 3.714 30 20 CHED CN(C(=O)c1cc(C#N)cs1)[C@@H]1CCC[C@@H]1C(C)(C)C 416297420 XHOVCUJYIDHNEX-QWHCGFSZSA-N 290.432 3.907 30 20 CHED C=CCCOCCCCC(=O)N1CC[C@@H](C2CCCC2)C1 421646108 MHBLXRHAFAPCKK-QGZVFWFLSA-N 293.451 3.788 30 20 CHED CCCc1ccc([C@H](NC(=O)NCCC#N)C(C)C)cc1 426434730 IUXFMHDLWUSUNS-MRXNPFEDSA-N 287.407 3.549 30 20 CHED N#Cc1ccc(N2CCC(Cc3ccccc3F)CC2)cn1 426889580 NRCOLERPVSWDAX-UHFFFAOYSA-N 295.361 3.551 30 20 CHED C=CCC[C@H](C)Nc1ccc2c(c1)cc(C)c(=O)n2C 430211654 XZVCWYWGXCMNEC-ZDUSSCGKSA-N 270.376 3.614 30 20 CHED C[C@@H]1CC[C@H](CC(=O)Nc2ccc(C#N)cc2Cl)C1 430361197 UUTOZFZTMFAUDP-MNOVXSKESA-N 276.767 3.976 30 20 CHED CC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(C#N)c1C 431693081 BVYCLLFLKLXQSC-WFASDCNBSA-N 271.364 3.567 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(C)cc1 432095320 BCQAPRCKLKEMNY-AWEZNQCLSA-N 274.408 3.958 30 20 CHED C=CCC(C)(C)CNc1cc(C(C)=O)ccc1C#N 432180752 XOGYMURWZULOPL-UHFFFAOYSA-N 256.349 3.775 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc2ccsc12 433275278 PNTKUICKOMKMFM-UHFFFAOYSA-N 285.372 3.835 30 20 CHED Cc1ccc(CN(C)CC(C)(C)C#N)c(Cl)c1 433299196 AVMMGALPSXHYID-UHFFFAOYSA-N 250.773 3.630 30 20 CHED CCc1ccc(C(C)(C)NC(=O)c2ccc(C#N)s2)cc1 434252713 CLLPJIPJKDVDIM-UHFFFAOYSA-N 298.411 3.847 30 20 CHED C=CCC[C@H](NC[C@@H](c1ccsc1)N(C)C)C1CC1 439089487 VFHCDSRXRKPRJV-HOTGVXAUSA-N 278.465 3.685 30 20 CHED C=CC[C@@H](CC)Nc1ccc(C(=O)CC)cc1[N+](=O)[O-] 440637760 ONZQDFKAJTWBJV-GFCCVEGCSA-N 276.336 3.954 30 20 CHED COc1cccc(Cl)c1CNCC1CCC(C#N)CC1 441334080 BXIKFEKNQIRMQZ-UHFFFAOYSA-N 292.810 3.768 30 20 CHED COc1cc(-c2nc3ccc(Cl)cc3n2C)ccc1C#N 443027912 OCNYROYUYWMVCS-UHFFFAOYSA-N 297.745 3.774 30 20 CHED C=CCC1(C(=O)N[C@H](C)CCc2ccco2)CCCC1 449094201 QWUISLFDNMAZSZ-CQSZACIVSA-N 275.392 3.853 30 20 CHED N#C[C@@H]1CCC[C@H](NCCOc2ccc(F)c(Cl)c2)C1 449399572 BTXZOCVPOKBYPL-NEPJUHHUSA-N 296.773 3.530 30 20 CHED N#C[C@H]1CCC[C@@H](NCCOc2ccc(F)c(Cl)c2)C1 449399573 BTXZOCVPOKBYPL-NWDGAFQWSA-N 296.773 3.530 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)CCCCC1 450170357 DFMFIZKEVJIINM-ARFHVFGLSA-N 291.435 3.587 30 20 CHED CC[C@H](Nc1nccc(C#N)n1)C(C)(C)c1ccccc1 450375550 HCVNKYPEUAUVNE-HNNXBMFYSA-N 280.375 3.517 30 20 CHED C=CCCCN1CC(C)(C)N(CCCC=C)C[C@@H]1C 451076543 AQNJVYMJVBBRNC-INIZCTEOSA-N 264.457 3.704 30 20 CHED C=CCOCCCN1[C@@H](C)C[C@H](CC(F)(F)F)[C@H]1C 451147186 NYYPCVTZSGXDFI-YNEHKIRRSA-N 279.346 3.630 30 20 CHED CCC1(NC(=O)c2ccc(C(C)(C)C#N)cc2)CCCC1 452955485 NODXECMUTBVTKH-UHFFFAOYSA-N 284.403 3.940 30 20 CHED C=CCCCC[C@H](C)NC[C@@H]1CCOC(C)(C)C1 453408456 GQGALSICKLWSBQ-LSDHHAIUSA-N 253.430 3.916 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@H]1c1ccccc1 455364599 JKRLPFRTVALOKF-HNNXBMFYSA-N 272.392 3.745 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 458011246 XWEKRTAXMKTUKX-GDBMZVCRSA-N 284.403 3.652 30 20 CHED CC[C@]1(C)CCCN(c2nc(C)cc(C)c2C#N)C1 462930919 DLRXSUAJRGFQLT-MRXNPFEDSA-N 257.381 3.587 30 20 CHED CO[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 463663245 WDGSZFCIBAHGKW-ZIAGYGMSSA-N 298.308 3.947 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)C[C@H](C)c1ccccc1 466366169 DEDLYHMMMJUHOQ-HOCLYGCPSA-N 274.408 3.786 30 20 CHED Cc1oc2ccccc2c1CNCCc1cccc(C#N)c1 466424627 JGAWVTJHEFAZNQ-UHFFFAOYSA-N 290.366 3.945 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1ccccc1C 467845024 XSXBCXLLVFFYIS-GOSISDBHSA-N 273.420 3.991 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl 468038220 PHNHTZGOKOFLAN-MNOVXSKESA-N 282.771 3.939 30 20 CHED C=CCCCCNC(=O)[C@H]1C[C@H]1c1ccccc1Cl 471680455 UIEVKLAIRCAWRL-KBPBESRZSA-N 277.795 3.916 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CC2CCC1CC2 482786656 IHNRFNBRJPXRSQ-PIMMBPRGSA-N 268.360 3.632 30 20 CHED C=C(C)CN(CCc1ccccn1)Cc1ccc(OC)cc1 483064254 UOKHZBCTIGJPAL-UHFFFAOYSA-N 296.414 3.711 30 20 CHED N#CC1(CN[C@H]2CCCC[C@@H]2c2ccccc2)CC1 484629252 AEVFRFPPUNSDAF-CVEARBPZSA-N 254.377 3.606 30 20 CHED Cc1cccc(-c2noc(-c3cccc(CC#N)c3)n2)c1F 485962123 WBJYJXFWCYDLMT-UHFFFAOYSA-N 293.301 3.917 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCCCCC(=O)C1 486427431 XCECPYZESUOWQP-OAHLLOKOSA-N 279.424 3.731 30 20 CHED CN(Cc1cc2ccccc2o1)C(=O)c1ccc(C#N)s1 487788434 VZFIPXBBWSIVPC-UHFFFAOYSA-N 296.351 3.638 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 487917167 RDHCKVCRFMCTSL-AWEZNQCLSA-N 280.799 3.865 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C 488595626 UNWPFELEYZNSBP-ZDUSSCGKSA-N 294.826 3.873 30 20 CHED C=CC[C@H](C(=O)NCCCC(C)C)c1ccccc1 488627197 IUIJXVYNYIXYDB-INIZCTEOSA-N 259.393 3.899 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 488763086 FFEXQGPKRISSFH-ZBFHGGJFSA-N 298.386 3.881 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 488880777 RKCZNRVQDIEFAR-IMFGXOCKSA-N 295.426 3.848 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H](C)c1ccc(OC)cc1 489768678 NOBILDVXZDJPFU-AWEZNQCLSA-N 289.419 3.907 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cc(Cl)ccc1Cl 493983513 DTHUWSNYXFJLGG-UHFFFAOYSA-N 298.173 3.927 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@H]2c2ccc(F)cc2)n1 508633847 SZRDZEFFMIWVQH-UONOGXRCSA-N 272.323 3.989 30 20 CHED N#CCC1CCN(Cc2cnc(-c3ccco3)s2)CC1 520935354 YVFSIEJVINRGGS-UHFFFAOYSA-N 287.388 3.529 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNc1nccc2ccccc12 527999692 YHADCAYNUHIVGD-GOEBONIOSA-N 268.360 3.628 30 20 CHED C[C@H](C#N)CN[C@@H]1CCC[C@H](c2ccccc2)CC1 529544256 XASRIMNOVMYNBN-HYVNUMGLSA-N 256.393 3.852 30 20 CHED C[C@@H](CSc1ncccc1C#N)c1ccccc1 530374290 WFAHBWWOHICGPH-LBPRGKRZSA-N 254.358 3.849 30 20 CHED C=CCCSCc1cn2cc(Cl)ccc2n1 530756430 HUJISFRYXGJNNZ-UHFFFAOYSA-N 252.770 3.797 30 20 CHED C=CCCN[C@@H](c1ccc(OC)cc1)c1ccccc1OC 533091754 IQOFLRHFRXSPPQ-IBGZPJMESA-N 297.398 3.959 30 20 CHED N#Cc1ccc(SC[C@H]2CCCOC2)c(Cl)c1 533638564 SCKIJJORGIUABN-NSHDSACASA-N 267.781 3.730 30 20 CHED C=CCN(Cc1cccc(OCC(F)(F)F)c1)C1CC1 537857300 PHNSGSSEPYPJAV-UHFFFAOYSA-N 285.309 3.778 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CC[C@H](C)C[C@@H]2CC)CC1 538760488 PGAQMMCKPMDYCX-XYJFISCASA-N 278.484 3.831 30 20 CHED C=CCNC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 540707616 KWWMDHLHQCSZDK-XYPYZODXSA-N 299.201 3.725 30 20 CHED C=CCSCCNC(=O)N(CC1CC1)C1CCCCC1 541888315 IKMHWNKWUJVGIL-UHFFFAOYSA-N 296.480 3.660 30 20 CHED COc1ccc(F)cc1[C@@H](C)NCc1ccc(CC#N)cc1 542252766 HNEGGHGZRWMVEK-CYBMUJFWSA-N 298.361 3.751 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@H]1c1ccccc1 542279796 MPXSUBUTWSXCIL-DNVCBOLYSA-N 276.383 3.946 30 20 CHED CCc1nc(C(C)C)ccc1CN1CCC(CC#N)CC1 549930826 CEFVWNUGKTWBPO-UHFFFAOYSA-N 285.435 3.893 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N1CCc2ccc(C#N)cc21 550154173 QLNKJVVHVDMDGA-BBRMVZONSA-N 282.387 3.664 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H]2CCC2(C)C)c1 554428937 KOLXNZWZVHHPDU-OAHLLOKOSA-N 288.391 3.952 30 20 CHED CC[C@H](NCC(C)(C)[C@@H](O)C(C)C)c1ccc(C#N)cc1 562498748 KHJZBAIOJPKRMT-IRXDYDNUSA-N 288.435 3.642 30 20 CHED Cc1csc(NC(=O)N2CC(C)(C)C[C@@H]2C)c1C#N 567483135 LOGKMQMRJLULSG-JTQLQIEISA-N 277.393 3.581 30 20 CHED N#CC1(CCOc2nccc(C(F)(F)F)n2)CCCCC1 568509740 WKEUHVALUSODBO-UHFFFAOYSA-N 299.296 3.738 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3cc(F)ccc31)CC2 571368771 VIPHHFVGEQCHIF-RTBURBONSA-N 292.357 3.962 30 20 CHED CSc1ccc(CN2CCC(CC#N)CC2)s1 572689195 QVCMXUNXDUNMNM-UHFFFAOYSA-N 266.435 3.596 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2scc(C)c2C#N)c1 572881363 LKHCFAOCVQQZAJ-GFCCVEGCSA-N 284.384 3.979 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C#N)cn2)C1 576885495 QDASSHASIUVJTG-KSSFIOAISA-N 277.371 3.536 30 20 CHED CC(C)(C#N)c1ccccc1CN[C@H]1CCC1(C)C 580446344 IQGFGEZOLCBMHX-HNNXBMFYSA-N 256.393 3.766 30 20 CHED CCCN(C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C 584061332 IFZZFZUNXWQPKZ-UHFFFAOYSA-N 279.771 3.864 30 20 CHED Cc1ccc(C#N)c(Oc2cccc3c2CCCC3)n1 587989879 AXKLZPGMTCOKDA-UHFFFAOYSA-N 264.328 3.933 30 20 CHED Cc1cc(Cl)ccc1/C=C\C(=O)c1cn(C)nc1C 588476765 FNMBHGUIRLXAPF-ALCCZGGFSA-N 274.751 3.586 30 20 CHED N#CCCC[C@H](NCc1ccc(O)cc1)c1ccccc1 590372470 WPIYPQBIUOIIIJ-SFHVURJKSA-N 280.371 3.917 30 20 CHED C[C@@H](CN1CCC(CC#N)CC1)c1cc(F)cc(F)c1 590648963 KCMQYOKFYXNQTK-LBPRGKRZSA-N 278.346 3.694 30 20 CHED CCCn1ncc(N[C@H]2CCC[C@H](C#N)C2)c1C1CC1 590655925 UDQCYIGFOIWFKP-JSGCOSHPSA-N 272.396 3.665 30 20 CHED N#Cc1cncc(Nc2ccc(NC3CCCCC3)cc2)n1 591459311 RPGCRIAERFEWEK-UHFFFAOYSA-N 293.374 3.836 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C(C)C 593606214 CBNXYUXPNMPYKC-FRFSOERESA-N 284.403 3.612 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccccc1CCC(F)(F)F 594086207 QFFYDKGKMLWODD-GFCCVEGCSA-N 298.308 3.556 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc(Cl)c(F)cc1Cl 594090834 GZYUWKDYGOUCCG-ZETCQYMHSA-N 289.137 3.507 30 20 CHED CCO[C@H]1CCN(c2cccc(C(F)F)c2C#N)C[C@H]1C 594583524 SQFRTYUTZLXIAQ-ABAIWWIYSA-N 294.345 3.747 30 20 CHED CC[C@H](Cc1ccc(F)cc1)N[C@H]1CCC[C@@H](C#N)C1 595061111 PDVYPZTYWGKQBJ-OIISXLGYSA-N 274.383 3.819 30 20 CHED CC[C@@H](CC(F)F)CN(CCC#N)Cc1ccco1 595332264 IHVSFKVMYVARNE-LBPRGKRZSA-N 270.323 3.677 30 20 CHED COCc1ccc([C@@H]2CCCN2[C@@H](C#N)c2ccccc2)o1 595443763 XVWXBBJOWORPIV-IRXDYDNUSA-N 296.370 3.828 30 20 CHED C=CCC(C)(C)c1noc(CC2(C#N)CCCCC2)n1 596603181 RUPWQFREQNOODU-UHFFFAOYSA-N 273.380 3.940 30 20 CHED COc1cc(CN2CCC[C@H](CC#N)C2)cc2ccccc12 597177541 OQYLVZDMHXBORO-OAHLLOKOSA-N 294.398 3.974 30 20 CHED CSc1cc(C)c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)o1 597258616 QEUHYMLCZQMWDG-MEBBXXQBSA-N 292.404 3.512 30 20 CHED C=CCC1(NC(=O)CC[C@H](C)SC)CCCC1 598297054 UHZUYSSRNRXVFW-LBPRGKRZSA-N 255.427 3.523 30 20 CHED CC(C)C[C@@H](C(=O)NC(C)(C)C#N)c1ccc(Cl)cc1 598669139 IBKROOVRYIUZQJ-CQSZACIVSA-N 292.810 3.888 30 20 CHED C=CC1CCN([C@H](C)c2cc(F)ccc2F)CC1 600683420 XYLFFMBEUINYRO-LLVKDONJSA-N 251.320 3.924 30 20 CHED CCCOCCOc1cccc(-c2cc(C#N)ccc2O)c1 600778993 LULHZEABSVKWCJ-UHFFFAOYSA-N 297.354 3.736 30 20 CHED N#C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C1CC1 601068195 AHTJVFRVGGYRTH-ZDUSSCGKSA-N 296.355 3.612 30 20 CHED C[C@H](CCC#N)CN(C)[C@@H]1CCCN(c2ccccc2)C1 602475324 SVAPXTVROJUDMI-SJLPKXTDSA-N 285.435 3.527 30 20 CHED CC(C)CC1(CN[C@H](C)CC2(C#N)CCOCC2)CC1 602571317 ZTPXALMVEAJGNQ-OAHLLOKOSA-N 278.440 3.501 30 20 CHED N#Cc1cccc(NC(=O)N[C@H](c2cccs2)C2CC2)c1 603645328 MANXIWWWTDRUPT-HNNXBMFYSA-N 297.383 3.893 30 20 CHED CCCN(C(=O)C(C)C)c1cc(Cl)ccc1C#N 609286272 RAPFJDPPRBGCOW-UHFFFAOYSA-N 264.756 3.611 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1Cc1cccc(C#N)c1 610001883 KDYKQDKKEUMDDF-PBHICJAKSA-N 256.393 3.959 30 20 CHED N#Cc1ccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)cc1 610366897 VUBRSUPYGLEDNH-MRXNPFEDSA-N 295.317 3.676 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H](C)C1CCCC1 610521444 OKZMABHPBKZWJQ-CQSZACIVSA-N 278.440 3.991 30 20 CHED CCCC[C@H](CC)CC(=O)N1CCC[C@](C)(C#N)C1 612371402 LFPWLEDGEUOOKA-GOEBONIOSA-N 264.413 3.745 30 20 CHED CN(c1nc(C(C)(C)C)ccc1C#N)C1CCCC1 613410438 LVAVGXJERHIVOJ-UHFFFAOYSA-N 257.381 3.630 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 615285589 FAUKBPNYPNUPQN-JKSUJKDBSA-N 287.403 3.517 30 20 CHED C=C[C@H](CC(=O)N(CC)[C@H](C)CC)c1ccccc1 616978587 AAVXUFKUFFKJCK-HUUCEWRRSA-N 259.393 3.993 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](C2CCCCC2)C1 618186649 PWDSMPBSJDNOQZ-SJLPKXTDSA-N 293.451 3.644 30 20 CHED C[C@@H](CCC1CC1)NCc1ccc(C#N)c(Cl)c1 619755467 YGKQJQMGISTYNA-NSHDSACASA-N 262.784 3.880 30 20 CHED C=CC[C@H](C)NC(=O)CCc1ccccc1C(F)(F)F 631343613 FSNGZZYBKBGKMW-NSHDSACASA-N 285.309 3.719 30 20 CHED C=CC(C)(C)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 648747825 SWOFHHVCWFBGLB-AWEZNQCLSA-N 257.377 3.808 30 20 CHED C=CCCCNC(=O)N(C)[C@@H](C)CSc1ccccc1 651068207 NBCIIGZBNGTTHD-AWEZNQCLSA-N 292.448 3.775 30 20 CHED C=CCCn1cc(CN(CCC(C)C)C2CCCC2)nn1 653521121 OXBWMMUZJIDICF-UHFFFAOYSA-N 290.455 3.645 30 20 CHED C=CCn1c(C)nnc1SC[C@H](CC)CC(F)F 657229050 AKRINUHUUHNBRZ-SNVBAGLBSA-N 275.368 3.546 30 20 CHED C=CCC1(NCc2cnc([C@@H]3CCCO3)s2)CCCC1 657703103 SWASGNAEICMUJQ-AWEZNQCLSA-N 292.448 3.973 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc(OC)c1 664470200 WABWUZLISRBDRN-UHFFFAOYSA-N 262.353 3.562 30 20 CHED C=C[C@](C)(CC)c1nc(C(C)(C)c2ccc(C)cn2)no1 665081995 JIXMWVCAHWOMPD-QGZVFWFLSA-N 285.391 3.953 30 20 CHED C=CCN(C(=O)Nc1ccc(CC)c(C)c1)[C@H](C)COC 666515978 VGJYGKPGTRSYJO-CQSZACIVSA-N 290.407 3.612 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2ccc(C)cc21 683831666 BQQRVARDDWWLRH-NVXWUHKLSA-N 284.403 3.732 30 20 CHED C#C[C@@H](NCc1cnc(C(C)(C)C)s1)C(C)(C)C 702268498 WGGFZWBSTUULOV-GFCCVEGCSA-N 264.438 3.578 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 726438049 KKWLIUNLIABWDA-HEHGZKQESA-N 286.444 3.779 30 20 CHED Cc1c(C(=O)/C=C\c2cccs2)c(C#N)c2n1CCC2 730085097 NBLHKHDXXWZKCV-SREVYHEPSA-N 282.368 3.572 30 20 CHED N#CCCN(C(=O)C=C1CCCC1)c1ccc(F)cc1 732093695 LFISMLZBMPREJR-UHFFFAOYSA-N 272.323 3.573 30 20 CHED CCCCC(CC)=NNc1nnc(-c2ccccc2)n1C 732925335 XAMBJJBFWKNIOV-UHFFFAOYSA-N 285.395 3.850 30 20 CHED CC(=NNCc1ccc(C(F)(F)F)cc1)c1cncs1 734745454 HXVQMSFZPZIYMX-UHFFFAOYSA-N 299.321 3.676 30 20 CHED C[C@H](OC(=O)C1(C#N)CCC1)c1cccc(Cl)c1 737326922 VRACIMVUBQPPPA-JTQLQIEISA-N 263.724 3.638 30 20 CHED C=CCCCCCN(C)C(=S)NC1CCCCC1 739457225 JMJUHJKNHHWPBZ-UHFFFAOYSA-N 268.470 3.872 30 20 CHED N#CC1(C(=O)OCCOC2CCCCCC2)CCCCC1 740957599 BYVBRXCWDRJOFJ-UHFFFAOYSA-N 293.407 3.743 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCC[C@H](C)C1)c1ccncc1 741692962 HKDFJFHHNKJBSN-IMJJTQAJSA-N 272.392 3.641 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)C1CCCCC1 741765781 JCTLUANCMZYLDJ-UHFFFAOYSA-N 266.776 3.807 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1cc(C)cc(C)c1 741766540 TYUSFXANMOGRSZ-UHFFFAOYSA-N 288.782 3.891 30 20 CHED Cc1ccc([C@H](C)C(=O)Nc2ccc(Cl)c(C#N)c2)o1 743822360 CPRATUOBQJOCKF-JTQLQIEISA-N 288.734 3.855 30 20 CHED C=C(Cl)CN1CC[C@H](CSc2ccccc2)C1 743860145 RXFGNLSMHKWXHF-ZDUSSCGKSA-N 267.825 3.853 30 20 CHED C#CCN(Cc1cc(-c2ccco2)on1)C1CCCCC1 744213890 RWZZMFLCIYOARH-UHFFFAOYSA-N 284.359 3.703 30 20 CHED C=CCNC(=S)N(CC)[C@H](CC)c1ccccc1 745687012 FWVYPIZOQVDHFB-CQSZACIVSA-N 262.422 3.520 30 20 CHED C=C(C)CNC(=S)N(CCC(C)C)C1CCCC1 745709448 PUSRGDTZXBGAJD-UHFFFAOYSA-N 268.470 3.728 30 20 CHED Cc1ccc(C2CC(=NOCc3cccnc3)C2)cc1 746586989 BHDMCEKXXIDDQL-UHFFFAOYSA-N 266.344 3.840 30 20 CHED CCCc1ccc(C(C)=NOCc2cccnc2)cc1 746587407 OMQKYJDXWGJIAK-UHFFFAOYSA-N 268.360 3.975 30 20 CHED CCCCC[C@H](C)NC(=O)Nc1cc(C#N)ccc1C 746674582 XKNAGUADFLSEOM-ZDUSSCGKSA-N 273.380 3.957 30 20 CHED CCC(CC)NN=Cc1cc(OC)ccc1Br 747750283 OMLCCZVTTMDYOL-UHFFFAOYSA-N 299.212 3.570 30 20 CHED C[C@H]1CC(=NNCCc2ccccc2F)C[C@H](C)C1 747765606 FEPPACDHNPLHOV-CHWSQXEVSA-N 262.372 3.770 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)O[C@H](C#N)C2CC2)cc1 747788432 NQNKNNXUICZPBN-BDJZEXMMSA-N 283.371 3.843 30 20 CHED CCO[C@@H]1CC(=NNc2nccnc2Cl)C1(CC)CC 748251509 KZVXPNDDNPYTMP-LLVKDONJSA-N 296.802 3.513 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cc(C#N)cs1 748440662 PPFMMSHUKZEIIQ-WAYWQWQTSA-N 299.399 3.910 30 20 CHED CCS[C@@H](C(=O)OCc1cc(C#N)ccc1F)C(C)C 748801434 XBIHROCICBXYLQ-CQSZACIVSA-N 295.379 3.518 30 20 CHED C[C@@H](CC/N=C\c1cccc(O)c1O)c1ccccc1 749749047 UKSRBMZOXDNYRM-CYUIRQCWSA-N 269.344 3.711 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc3c(c2)CCCO3)c1 750950066 NRZNOCAGZMDRFA-UHFFFAOYSA-N 297.354 3.867 30 20 CHED COCCON=C(Cc1ccccc1)c1ccc(C)c(C)c1 751133006 KMOZLNUCMBZNBW-UHFFFAOYSA-N 297.398 3.913 30 20 CHED CCN(C(=O)/C=C/c1ccccc1F)c1ccc(C#N)cc1 753172319 UOUAJUMMSHYILV-FMIVXFBMSA-N 294.329 3.764 30 20 CHED C=CCN(CC=C)C(=O)c1cc2cccc(Cl)c2o1 753193612 DYOATACFLOJPNX-UHFFFAOYSA-N 275.735 3.900 30 20 CHED C#C[C@H](CC)NC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 753244229 YZRLTFFMQPFFTG-UKRRQHHQSA-N 298.386 3.937 30 20 CHED CCCCCCCCNC(=O)NC[C@@H](C)c1nccs1 754241482 DQQWZEZIAIFUIF-CYBMUJFWSA-N 297.468 3.906 30 20 CHED CCC(CC)CN(CCC#N)c1cc(Cl)nc(C)n1 754785785 OHVUBZPJBAKXDK-UHFFFAOYSA-N 280.803 3.595 30 20 CHED Cn1c(NN=C[C@@H]2C[C@@H]2c2ccccc2)nc2ccccc21 755647965 HEJMASHHIGJFOQ-LSDHHAIUSA-N 290.370 3.775 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NN[C@H](C)c1ccccc1 755665446 XQTMJGBVGSUHEX-CYBMUJFWSA-N 298.434 3.940 30 20 CHED CCCCCC[C@H](C)NN=Cc1c(C)nn(CC)c1C 755753523 KFBWJYPUNDVCSS-ZDUSSCGKSA-N 278.444 3.802 30 20 CHED Cc1ccnc(NN=Cc2c[nH]c3ccc(C)cc23)c1 755901223 UEXYNHXVQZCOQC-UHFFFAOYSA-N 264.332 3.626 30 20 CHED CC1(C)CCC[C@@H](C(=O)OCC(=O)c2ccc(C#N)cc2)C1 756270351 QWPUUBFPBDTLAU-OAHLLOKOSA-N 299.370 3.501 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc2ccccc2c1O 757475852 UBDOBJLAQSAFIG-KTKRTIGZSA-N 292.338 3.781 30 20 CHED C#CC[C@H](NC(=O)N(CCC)CC(C)C)c1ccccc1 757759444 COTOAVPGHMGMNJ-KRWDZBQOSA-N 286.419 3.829 30 20 CHED CCCCCCCCOCC(=O)N1CCC2(CCC2)C1 758671289 UMLJEIWHOKVGKH-UHFFFAOYSA-N 281.440 3.766 30 20 CHED C#CCCCC(=O)OCc1cccc2ccccc12 759176119 LFULGYZVMNJMTL-UHFFFAOYSA-N 252.313 3.687 30 20 CHED C#Cc1cccc(NC(=O)N2CCc3cccc(C)c3C2)c1 760035019 PHBXRIWQICWLCW-UHFFFAOYSA-N 290.366 3.567 30 20 CHED CCCC(=NNc1ncc(F)cn1)C1CCCCC1 760265803 MXYHUDFEUZKNNU-UHFFFAOYSA-N 264.348 3.764 30 20 CHED CCC(CC)CN(CCC#N)C/C(Cl)=C\Cl 763557623 GAVVOPVNVFSEGB-XYOKQWHBSA-N 263.212 3.957 30 20 CHED CCCCC[C@H](C)CC(=O)Nc1cc(CC#N)ccn1 763908939 MQYMMVDUERNGOO-ZDUSSCGKSA-N 273.380 3.693 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccc(OCC#N)cc1 764432685 GURWILFRJOKITN-SREVYHEPSA-N 299.351 3.555 30 20 CHED Cc1ccc(C=NNCCc2ccccc2F)c(C)c1 764723577 QCMNPUSFNAGIIS-UHFFFAOYSA-N 270.351 3.609 30 20 CHED C#CCN(C(=O)N[C@@H](C)c1csc2ccccc12)C1CC1 764724652 JPBYPQDSAISKIM-LBPRGKRZSA-N 298.411 3.770 30 20 CHED CCO[C@H]1CCCC1=NNc1ccccc1Cl 766428231 DZERVYUOUPGEQP-ZDUSSCGKSA-N 252.745 3.697 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(C#N)c(C)c2)c1C 766488609 ADHGAHRYLMNUGY-CLFYSBASSA-N 293.370 3.596 30 20 CHED C#C[C@@H](C)N(C)C(=O)/C=C(/CC)c1cccc(Cl)c1 767263377 LBVDPJLWTOYSEM-NPRUJURCSA-N 275.779 3.614 30 20 CHED C#CCOc1ccc(C(=O)N([C@H](C)CC)[C@H](C)CC)cc1 767503012 BYOXJTANRZNTFW-HUUCEWRRSA-N 287.403 3.738 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2cccc(F)c2)cc1 767731430 YQPBJCWYDPZNSW-YHYXMXQVSA-N 284.286 3.508 30 20 CHED CN(CCC#N)c1ccc(CN[C@@H]2CCC(C)(C)C2)cc1 768661575 HAVUOQZATYXAOD-MRXNPFEDSA-N 285.435 3.705 30 20 CHED Cc1ncc(/C=C\C(=O)OCCCCC(C)(C)C#N)s1 768692407 FFOYWEIVPJYQLH-SREVYHEPSA-N 292.404 3.728 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1c(F)cc(O)cc1F 768718841 ZMMPPIJCYBCSEU-UHFFFAOYSA-N 297.301 3.547 30 20 CHED CCc1noc(C)c1C(C)=NN[C@@H](C)c1ccccc1 769790273 ADVPOWJYWWCCHX-NSHDSACASA-N 271.364 3.620 30 20 CHED CC1(C)CCCCC1=NNCc1ccc(C#N)cc1 769820605 JBXOHLZTJUNUAD-UHFFFAOYSA-N 255.365 3.604 30 20 CHED C=CC[C@H](N[C@@H](C)c1cnccc1C)c1ccncc1 772456605 SCCYQGNGTVXQNL-YOEHRIQHSA-N 267.376 3.753 30 20 CHED C#CCCCCC(=O)OCc1ccccc1C(F)(F)F 773628611 QYEYLCIUEICDAT-UHFFFAOYSA-N 284.277 3.942 30 20 CHED Cc1cc(C)cc(/C=C2\CC(=O)Nc3ccccc3C2=O)c1 774145629 QBXJJFQBLCQKBX-XNTDXEJSSA-N 291.350 3.912 30 20 CHED Cc1ccccc1-c1nc(C(=O)OCC2(C#N)CC2)cs1 775855055 KENKIYFVWLTQKB-UHFFFAOYSA-N 298.367 3.579 30 20 CHED Cc1ccc(Cl)cc1C(=O)OCCC(C)(C)C#N 776399145 SXCOXSNVRMJJIU-UHFFFAOYSA-N 265.740 3.745 30 20 CHED Cc1ccc(OC(=O)Cc2ccccc2CC#N)c(Cl)c1 776951482 WHXVBOHBJMXGQT-UHFFFAOYSA-N 299.757 3.863 30 20 CHED FC(F)(F)CCON=C1CCCc2ccccc21 777461070 TZNYRFBMGLPCAP-UHFFFAOYSA-N 257.255 3.696 30 20 CHED C=CCC[C@H](C(=O)OC[C@@H]1CCCOC1)c1ccccc1 778558473 AMDBHHUVSIZFES-WBVHZDCISA-N 288.387 3.706 30 20 CHED N#CCOc1cccc(NCc2nccc3ccccc23)c1 779589022 VHTNWDNTTADUGG-UHFFFAOYSA-N 289.338 3.749 30 20 CHED C#CCCCCCC(=O)N1CCCC[C@H]1CC(C)C 779982043 WIRUNOHOPMNCNX-INIZCTEOSA-N 263.425 3.997 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 780022768 GXZTZPLMORQKAI-VNDWYCCKSA-N 276.767 3.767 30 20 CHED Cc1nc2cc(NC(=O)c3cccc(C#N)c3)ccc2s1 781203298 ODUGQDDEOPAQDQ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC(=NNc1nc(C(F)(F)F)cs1)[C@]1(C)CCCO1 782249782 QLBGTSLMRPIVNG-JTQLQIEISA-N 293.314 3.519 30 20 CHED COc1cc(C(C)=NOCCC2CC2)ccc1OC(F)F 783555139 QDDIFXMJIYZCHO-UHFFFAOYSA-N 299.317 3.837 30 20 CHED CC(C)[C@H]1CCCCC1=NNCCC(=O)OC(C)(C)C 783865804 IWHIATGSYSIWFQ-CYBMUJFWSA-N 282.428 3.510 30 20 CHED C=CCN(C(=O)/C=C\c1cnccc1C)c1ccccc1 783871753 MWQNJMRAOMGNMV-KTKRTIGZSA-N 278.355 3.622 30 20 CHED C=C(C)CN(C)Cc1ccc(Cl)nc1C(F)(F)F 787279875 QLBSLIUUVCHIQH-UHFFFAOYSA-N 278.705 3.762 30 20 CHED C#CCC1(C(=O)N[C@@H](C)CCC(C)C)CCCCC1 788135771 PATUIOBLPGQOSM-HNNXBMFYSA-N 263.425 3.901 30 20 CHED C#CCC1(C(=O)N(C)Cc2cccc(C)c2)CCCCC1 788172181 NQNBSCVSGTWLBY-UHFFFAOYSA-N 283.415 3.927 30 20 CHED Cc1nc(Cl)ccc1NCc1ccc(C#N)cc1F 788403740 LAFHKDFSZULIAH-UHFFFAOYSA-N 275.714 3.666 30 20 CHED COc1cc(NN=C(C)c2cncc(C)c2)ccc1Cl 788467015 AHTUCKGUTOVBTG-UHFFFAOYSA-N 289.766 3.888 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNC2CC(C)(C)C2)c1 788589856 WVUAZNRSBONEIU-HNNXBMFYSA-N 272.392 3.646 30 20 CHED CC(=NOCC(F)(F)F)C1CCC(F)(F)CC1 788719600 AMNIROMCBSYLFS-UHFFFAOYSA-N 259.218 3.767 30 20 CHED Cc1cccnc1NN=Cc1ccc(Br)cc1 790191827 YVAZQRPXCQDGIW-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc(-c2ccco2)s1 791197932 XFLCRIMKEPBZLG-NSHDSACASA-N 273.357 3.540 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 791205305 SKRUVHPRLNPAIJ-CJNGLKHVSA-N 291.822 3.827 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1cnc2ccccc2n1)C1CCCC1 792111099 WACZAOCYEIDGCV-JSGCOSHPSA-N 293.370 3.632 30 20 CHED C[C@H](NN=Cc1ccc(Oc2cnccn2)cc1)C(C)(C)C 793110875 CHBKZLUNOQIVPK-ZDUSSCGKSA-N 298.390 3.627 30 20 CHED C=CCN(C(=O)[C@H](F)CC1CCCCC1)C(C)C 793419303 XETNSFMSZBWCJU-CQSZACIVSA-N 255.377 3.718 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(N(C)C)nc1 793529032 YSRIVFJQWGRMEZ-OAHLLOKOSA-N 275.440 3.762 30 20 CHED C=CCCCCC[C@H](C)N[C@H](CO)c1cccc(F)c1 793541669 SGXRILDOFOFPMX-WMLDXEAASA-N 279.399 3.974 30 20 CHED N#Cc1ccc(COC(=O)/C=C\c2ccccc2F)c(F)c1 794497306 VULHUTNAZVTPPK-FPLPWBNLSA-N 299.276 3.593 30 20 CHED CC(C)[C@H]1CCCC(=NNc2nccnc2Cl)C1 794511705 HVKLEHOAFQUINH-JTQLQIEISA-N 266.776 3.744 30 20 CHED C[C@H]1CC(=NNCCC(F)(F)F)c2ccsc2S1 794547163 FBWILQZURWITPX-ZETCQYMHSA-N 294.367 3.879 30 20 CHED COc1ccc(NN=C2CCC[C@H]2CCF)c([N+](=O)[O-])c1 794920789 SOYYPMTZNAHFOX-JTQLQIEISA-N 295.314 3.531 30 20 CHED CC(C)Oc1ccc(NCCCCF)cc1C#N 795260973 IJJZXQJBFJVHOD-UHFFFAOYSA-N 250.317 3.507 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Oc1ccc(C#N)cc1F 796828509 ULHRGOVQJIORHJ-STQMWFEESA-N 275.323 3.819 30 20 CHED CCCC(C)=NNc1ncnc(Cl)c1C(C)C 797404564 MOXSXCBYCSMUFX-UHFFFAOYSA-N 254.765 3.841 30 20 CHED CC(C)C[C@@H](C)COC(=O)c1ccc(CC#N)cc1 798641745 DCGTXUZWWAJAOM-CYBMUJFWSA-N 259.349 3.592 30 20 CHED C#C[C@H](NC(=O)C[C@H](c1ccccc1)C(C)C)C(C)C 799048544 NNNOHPOFUMIVTC-IRXDYDNUSA-N 271.404 3.590 30 20 CHED COc1cc(/C=C\C(=O)C2CCCCC2)ccc1C#N 799495434 QRQDDPVJJJINIA-NTMALXAHSA-N 269.344 3.729 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1scnc1C1CC1 799499826 ZPBFMEDZQSBVTE-BQYQJAHWSA-N 280.352 3.788 30 20 CHED CCCCCCCS(=O)(=O)N[C@@H]1CCCc2occc21 799758648 VJXXXUWJCAKPTD-CQSZACIVSA-N 299.436 3.547 30 20 CHED Fc1ccccc1NN=Cc1ccc(C(F)(F)F)[nH]1 807961184 GCTXQPOUHKTZBK-UHFFFAOYSA-N 271.217 3.619 30 20 CHED C[C@H]1CCC(=NNc2nccnc2C2CCC2)C[C@H]1C 807990732 AWADXKTTWUIFIT-NWDGAFQWSA-N 272.396 3.968 30 20 CHED Cc1ccc2c(c1)C(=NNc1nccnc1C1CCC1)CC2 807993519 FJETUSUOEPDMPH-UHFFFAOYSA-N 292.386 3.815 30 20 CHED C#Cc1ccc(CNc2ccc(NC(=O)CC)cc2)cc1 809598410 MCEMDMNWUUMACO-UHFFFAOYSA-N 278.355 3.629 30 20 CHED C#C[C@@H](NCc1ncc(C(C)(C)C)s1)C(C)(C)C 809781251 LKIFBTXWQAPRMF-LLVKDONJSA-N 264.438 3.578 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1cc2ccccc2[nH]1 811665706 SIMJZTNSFRUEFT-CQSZACIVSA-N 293.370 3.559 30 20 CHED C[C@@H](COc1ccccc1)NN=C1CCC[C@H]1CCF 811667915 GROHWTDYKJUTBP-KBPBESRZSA-N 278.371 3.559 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1)C2 811695066 WSFSKVYPWMDLGA-AUWJEWJLSA-N 263.271 3.520 30 20 CHED Cc1cc(F)ccc1/C=C1\Cc2ccc(C#N)cc2C1=O 811696971 XIKQZLYHORGRLV-OVCLIPMQSA-N 277.298 3.828 30 20 CHED N#Cc1c(F)cccc1/C=C1\Oc2cccc(Cl)c2C1=O 811697782 GCQILUBTCZKKQI-AUWJEWJLSA-N 299.688 3.967 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cn(C)nc1C(F)F 812243064 BQOHYIAWQCQYFW-UTCJRWHESA-N 294.276 3.701 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)c1ccccc1C 812865981 VJHZFMDULHENFU-UHFFFAOYSA-N 277.367 3.572 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)c1nccs1 814769936 XXQSBFRXFOHJKW-UHFFFAOYSA-N 286.385 3.713 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1cccc(C#N)c1 814787371 ZLWHWUMMNMLHMK-CQSZACIVSA-N 266.348 3.676 30 20 CHED CCc1cnc(C=NNc2ccc(C#N)c(Cl)c2)s1 814901227 DPQKFVBHTCOZFR-UHFFFAOYSA-N 290.779 3.677 30 20 CHED FC(F)(F)CCNN=C1CC[C@@H](Cc2ccccc2)C1 814920362 LSLGISOCLXABHH-ZDUSSCGKSA-N 284.325 3.927 30 20 CHED C=C[C@H]1CCCCN1C[C@H](O)c1cccc2ccccc12 815104257 FWWLQSVZTXBONG-LPHOPBHVSA-N 281.399 3.914 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C)nn1CCCCC 815754742 XSKTTWXADWKFGK-UHFFFAOYSA-N 285.338 3.532 30 20 CHED CCCCCCCCC/C=C\C(=O)Nc1nc(C)n(C)n1 817019680 RYDHUWNACZPWNB-SEYXRHQNSA-N 292.427 3.759 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@]1(C)CC1(F)F 817250460 GIPCLVLYLIQLPO-HNNXBMFYSA-N 293.313 3.576 30 20 CHED CCc1ccc(C(C)=NN[C@H](C)c2ccncc2)s1 819814946 JARGZYHZBHTEBD-LLVKDONJSA-N 273.405 3.780 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C)cnc1Cl 822857206 WVLUKPXJLWUZKN-UHFFFAOYSA-N 281.787 3.910 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc(C)nc2C)c1 834902686 KGVMPRKMTWWWGY-CQSZACIVSA-N 264.372 3.531 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1ncc(Cl)cc1Cl)OC 834925875 FXXPCJJSSDXJEW-LDYMZIIASA-N 290.194 3.847 30 20 CHED CCC(=NN=c1cc[nH]cc1Cl)C1CCCC1 834961718 PXQOUJWDAKRFFT-UHFFFAOYSA-N 251.761 3.525 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2sc(C)nc2c1 836498494 HIKGALLMTLEGBR-UHFFFAOYSA-N 275.377 3.692 30 20 CHED CCC[C@@H](NC(=O)Cc1ccccc1CC#N)C1CCCC1 838331809 RHUMANFHTKLVJT-GOSISDBHSA-N 298.430 3.770 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H](C)Cc1cncc2ccccc12 839040403 NRLYUTNGUQBTFI-CABCVRRESA-N 295.382 3.759 30 20 CHED C[C@H](CC1CCCC1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839054361 NXWSPBIBMAUBKD-BPLDGKMQSA-N 263.381 3.828 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O[C@H]1CCC[C@H](C#N)C1 839059180 YYSHFFXXKWMPTC-FQUUOJAGSA-N 289.400 3.786 30 20 CHED CC(C)c1scnc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839063262 QPZJJKNULAVURH-GHMZBOCLSA-N 278.377 3.506 30 20 CHED C#CCCOc1ccc(C(=O)N(CC)[C@H](C)C(C)C)cc1 839263510 FAFZSUGKLMFBME-OAHLLOKOSA-N 287.403 3.595 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(Cl)ncc2Cl)C1 839449337 MZKWBNJFHATGNK-DTWKUNHWSA-N 299.157 3.628 30 20 CHED C#CCCCC(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 839883366 VJHQKEQSRRXSLJ-UHFFFAOYSA-N 298.308 3.513 30 20 CHED Cc1cnc(C(=O)OCCC2(C#N)CCCCC2)c(C)c1 840423378 APVSZJODPWSMKJ-UHFFFAOYSA-N 286.375 3.719 30 20 CHED CC(C)Cn1nccc1/C=C1\CCc2cc(F)ccc2C1=O 843270549 XGQQQMDYERQTIO-GXDHUFHOSA-N 298.361 3.891 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCCC[C@@H]2C)c1 844257004 ITFKDYTUOMBFIM-WFASDCNBSA-N 272.417 3.533 30 20 CHED COCc1ccc(/C=C/C(=O)c2coc(C(C)C)n2)cc1 844553698 VXRQESJMJVUCNO-CMDGGOBGSA-N 285.343 3.841 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc2nc(SC)sc2c1 845081677 CMAJNJQCJPZBEG-MRVPVSSYSA-N 291.401 3.506 30 20 CHED C=C(Cl)CNc1cc(NC(=O)C2CC2)ccc1C 849313851 PPGOAEPGSWBGSG-UHFFFAOYSA-N 264.756 3.508 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(C)c(C)c1O 850501593 FETAJKMAEWDTHW-AWEZNQCLSA-N 279.449 3.969 30 20 CHED CCCC[C@](C)(F)C(=O)[C@@H](C#N)c1nc2ccccc2o1 850781926 GMHGYGGWHZKARZ-BZNIZROVSA-N 288.322 3.922 30 20 CHED N#Cc1ccc(C2=CCN(CC=C(Cl)Cl)CC2)cc1 851886388 QSQVXQAHYAVFFC-UHFFFAOYSA-N 293.197 3.966 30 20 CHED C#CCCOc1ccc(C(=O)N2CCC[C@@H](CC=C)C2)cc1 855437465 XJWQXZSXZFBFJH-MRXNPFEDSA-N 297.398 3.517 30 20 CHED Cc1cccc(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 863161855 LFALFNBHEYBNHM-GXFFZTMASA-N 255.321 3.552 30 20 CHED COc1ccc(COc2ccc(C#N)cc2C)cc1C 864045227 NIAXHAWOOCRYKH-UHFFFAOYSA-N 267.328 3.763 30 20 CHED CCCCOC(=O)CS[C@@H](C#N)CCc1ccccc1 865376688 YXDOSJAGJSWLII-OAHLLOKOSA-N 291.416 3.588 30 20 CHED C=CCC[C@@H](CC)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 866546115 FNHYLTCJHBOGHX-KFWWJZLASA-N 296.455 3.624 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccc(Cl)nc2)no1 867168007 ZKVORFULHQIYRO-CQSZACIVSA-N 277.755 3.563 30 20 CHED CCn1cc(C=NNc2nc(C)cc(C)n2)c2ccccc21 867600261 HVKAZLAHZWUUIS-UHFFFAOYSA-N 293.374 3.514 30 20 CHED N#Cc1cc(Cl)nc(-n2nc(C(F)F)cc2C2CC2)c1 871954211 HBUMDJJRQMSAQH-UHFFFAOYSA-N 294.692 3.607 30 20 CHED CC(CCOCc1ccccc1)=NO[C@@H]1CCCCO1 872360477 MWIIXWUWHHUCDC-MRXNPFEDSA-N 277.364 3.512 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1nc2ccccc2s1 877045971 HNINZTFKRLCGDE-RYUDHWBXSA-N 273.405 3.887 30 20 CHED C=C1CCC(C(=O)O[C@H](C(C)=O)c2ccccc2)CC1 885649963 PITPFMXEOXHFOL-MRXNPFEDSA-N 272.344 3.606 30 20 CHED C=C1CCC(C(=O)NCCc2ccc(Cl)s2)CC1 888249502 NUNDAIWYNRJBFI-UHFFFAOYSA-N 283.824 3.807 30 20 CHED N#C[C@H](NC(=O)Cc1cccc2ccccc12)C1CCCC1 893703167 BRCFJWBMPWJJPB-SFHVURJKSA-N 292.382 3.581 30 20 CHED C=C1CCC(C(=O)N2CC[C@H]2c2cccc(F)c2)CC1 896736708 YEJQPSSWWWDQAR-INIZCTEOSA-N 273.351 3.846 30 20 CHED CCn1cc(/C=C/C(=O)c2ccc(C)c(C)c2)c(C)n1 899335894 KFKAQWPLDDVUJF-CMDGGOBGSA-N 268.360 3.724 30 20 CHED C=C1CCC(C(=O)Nc2ccc(CN(C)C)c(F)c2)CC1 900951120 GHMFKYFAPDPPMA-UHFFFAOYSA-N 290.382 3.572 30 20 CHED O=C(C1CCCCCCC1)N(O)Cc1ccc(F)cc1 901371804 INAKAXKCQIWBCP-UHFFFAOYSA-N 279.355 3.904 30 20 CHED C=CCOc1ccccc1CNCc1cc(C)ccc1NC 902228192 DRMDHZGQUPWERA-UHFFFAOYSA-N 296.414 3.891 30 20 CHED Cc1ccc(C=NOCc2coc(C(C)(C)C)n2)cc1 902690558 QMMRDNDWGSSISU-UHFFFAOYSA-N 272.348 3.831 30 20 CHED CCO[C@@H]1CCC[C@@H](N[C@@H](CCC#N)c2ccccc2)C1 902884946 QCRLNLDSFSCGCZ-KURKYZTESA-N 286.419 3.969 30 20 CHED Clc1cncc(NN=C2CC[C@@H]3CCCC[C@H]3C2)n1 914556972 JUJCQAFSAYEUGU-QWRGUYRKSA-N 278.787 3.888 30 20 CHED CC(=NNc1ccccc1Cl)c1ccc(C(=O)O)cc1 915935564 RAFIWWUDPJLFKO-UHFFFAOYSA-N 288.734 3.874 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\Cc2cc3ccccc3o2)c1 915980002 WEGMVJLWNSDZOC-MFOYZWKCSA-N 296.282 3.666 30 20 CHED O=C1CCc2cc(C(=O)/C=C/c3ccccc3F)ccc2N1 915993149 KTMDIUVECSUCJJ-RMKNXTFCSA-N 295.313 3.607 30 20 CHED Cc1cc(NN=Cc2ccncc2)ccc1Br 920479512 PCTXNMAEXSDACK-UHFFFAOYSA-N 290.164 3.599 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N1CCC[C@@H](C#N)C1 928219335 UJFDDUWJBPRTOS-GOEBONIOSA-N 264.413 3.745 30 20 CHED C=C1CCN(C(=O)Nc2ccc(CCC)cc2)CC1 929336926 WAELMEFNOKZPDP-UHFFFAOYSA-N 258.365 3.823 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1c1ccccc1OC 931797655 YJUCAAGMWKMRTO-HOCLYGCPSA-N 287.403 3.961 30 20 CHED CC(C)Cc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)s1 935353209 PYJIAWLXBGRENB-MRXNPFEDSA-N 290.432 3.712 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCO[C@H](C(C)C)C1 935971192 LFCCRMFUWIHKJV-CVEARBPZSA-N 281.440 3.690 30 20 CHED N#CCc1cccc(N2CCC[C@H]2c2ccsc2)n1 1116636269 IVFRRLULJJXWMF-AWEZNQCLSA-N 269.373 3.551 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)CC(C)C)c1C#N 1185880958 GRBPYKVAPZFIPH-VIFPVBQESA-N 251.761 3.762 30 20 CHED CC(C)C1(C)CCN(c2nc(C#N)c(Cl)s2)CC1 1186183464 CXYZWKIZWRHGJX-UHFFFAOYSA-N 283.828 3.931 30 20 CHED CC(C)N1CCCC[C@H]1CN(C)[C@H](C)c1cccc(C#N)c1 1195368538 WSMXQUQNAHYMOE-APWZRJJASA-N 299.462 3.814 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1F 1219049528 AAPMGNCLYFOJPB-AAEUAGOBSA-N 289.354 3.645 30 20 CHED Cc1cc(N(C)Cc2cccc(C#N)c2)nc(C2CCC2)n1 1306927927 MXTYSIHLSBDTOC-UHFFFAOYSA-N 292.386 3.561 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@@H](C3CC3)[C@H]2C2CC2)n1 1307122664 JOBWWYLLERAOMK-DOTOQJQBSA-N 295.430 3.876 30 20 CHED N#Cc1cc2c(n(CCCC3CCCCC3)c1=O)CCC2 1307402814 JACYMKLBNBMQAP-UHFFFAOYSA-N 284.403 3.569 30 20 CHED C=C(Cl)CN1CCCC[C@H]1Cc1ccc(OC)cc1 1307905140 JMSFNKKSYWBDDU-HNNXBMFYSA-N 279.811 3.845 30 20 CHED CCCCCCCCCCC(=O)N1CCCC[C@H]1CO 1317903899 SCADUGWMOSTDBV-INIZCTEOSA-N 283.456 3.891 30 20 CHED CCc1oc2ccccc2c1C(=O)N1CCC[C@@](C)(C#N)C1 1320209805 ZGOISUMGNRTJKE-SFHVURJKSA-N 296.370 3.761 30 20 CHED C=CCC1(C(=O)OCCCc2cccnc2)CCCC1 1328234713 BIJGFWSJMOEOEH-UHFFFAOYSA-N 273.376 3.694 30 20 CHED COc1ccc(Br)cc1NC[C@H](C)CCC#N 1330616516 VVFMLFKSJKHNFD-SNVBAGLBSA-N 297.196 3.809 30 20 CHED C[C@@H](NC(=O)c1cc2c(o1)CCCC2)c1ccc(C#N)cc1 1337907043 OJIJBNJATMMQCY-GFCCVEGCSA-N 294.354 3.521 30 20 CHED C=CCn1c([C@@H]2CC=CCC2)nnc1N(C)Cc1ccoc1 1339180451 AHLZGKAYNSEEAZ-OAHLLOKOSA-N 298.390 3.517 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)O[C@H]2CC[C@@H](C#N)C2)cc1C 1343387311 ZRGYSNLWGKPUQN-BSWAZPDLSA-N 283.371 3.642 30 20 CHED C[C@H](Oc1cccc(Cl)c1)c1nnc(C#CC2CC2)o1 1349987433 HRMHUOSZJRPWMF-JTQLQIEISA-N 288.734 3.625 30 20 CHED COc1cc(Oc2cc(C)nc(C3CCC3)n2)ccc1C#N 1352015589 GWRYRHAUTYVOMJ-UHFFFAOYSA-N 295.342 3.725 30 20 CHED Cc1cc(C)cc(CCC(=O)[C@@H](C#N)c2cccc(F)n2)c1 1357612709 ZBPXXRGVJLKDJQ-HNNXBMFYSA-N 296.345 3.647 30 20 CHED COc1ccc(NC(=O)c2ccccc2C(C)C)cc1C#N 1438661828 JRRZFAINNWILBQ-UHFFFAOYSA-N 294.354 3.943 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(C#N)cn1 1458635502 UVLFOSRFGFQQSP-WMLDXEAASA-N 277.371 3.726 30 20 CHED CCc1nocc1COc1c(C#N)cnc2ccc(C)cc12 1459100304 PKBOBMANGMEHCM-UHFFFAOYSA-N 293.326 3.544 30 20 CHED CC[C@H](F)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 1460376256 GUMMABXYWBECSR-AUTRQRHGSA-N 294.395 3.992 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(OC)c(C#N)c1 1462323285 HLBOXPUHVAUJLS-GFCCVEGCSA-N 274.364 3.578 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(OC)c(C#N)c1 1462323290 HLBOXPUHVAUJLS-LBPRGKRZSA-N 274.364 3.578 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)Nc1cc(C#N)ccc1F 1476715284 QCHWMEPXVDYQHJ-JTQLQIEISA-N 287.294 3.515 30 20 CHED CCCCC[C@@H](CC)C(=O)[C@@H](C#N)c1ncc(Cl)n1C 1520028410 CCOTXYMYKYCEDC-VXGBXAGGSA-N 295.814 3.856 30 20 CHED CC1(CNC(=O)c2csc(C#N)c2)CCCCCC1 1520688565 VMMLURWRVRRYOW-UHFFFAOYSA-N 276.405 3.710 30 20 CHED N#Cc1cc(C(=O)Nc2c(F)cc(Cl)cc2F)cs1 1520909884 KXVSIUDRWUDNEA-UHFFFAOYSA-N 298.701 3.804 30 20 CHED C[C@@H](CN(C)c1ncccc1C#N)C1CCCCC1 1559255601 XFSGXNLVHBPBOR-ZDUSSCGKSA-N 257.381 3.606 30 20 CHED C=CCCCC(=O)O[C@@H]1CCCc2cc(C(=O)O)ccc21 1573357741 RQWQVILYEGTNKB-OAHLLOKOSA-N 288.343 3.662 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2cccc(CC#N)c2)C1 1584438547 HWVBVMUQRPUKNI-HNNXBMFYSA-N 271.360 3.878 30 20 CHED C[C@@H](C(=O)O)c1cccc(NCCCC(C)(C)C#N)c1 1589532713 VAIAYEPLXUSSQW-GFCCVEGCSA-N 274.364 3.617 30 20 CHED O=C(O)c1coc(/C=C\C(=O)c2cccc(Cl)c2)c1 1602553354 FUOJENOYZHDREB-PLNGDYQASA-N 276.675 3.527 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCC1(CC#N)CC1 1634858666 PRSZARWWUHJZCQ-HUUCEWRRSA-N 291.439 3.586 30 20 CHED N#Cc1ccc(COc2ccc(F)c3cccnc23)s1 1641249308 IZVIXLKKCUKZLS-UHFFFAOYSA-N 284.315 3.886 30 20 CHED CCC(CC)NCc1cc(C#N)ccc1Br 1648711791 FMJPEBALWFVCSJ-UHFFFAOYSA-N 281.197 3.599 30 20 CHED Cc1cc(C)c2nc(N(C)[C@@H](C)CC#N)sc2c1 1650816365 ZVEFWRJDJBUJCC-NSHDSACASA-N 259.378 3.652 30 20 CHED N#Cc1ccc(CCOc2ccc(C#N)cc2Cl)cc1 1652547894 RSCYLSWACMIONB-UHFFFAOYSA-N 282.730 3.705 30 20 CHED COc1ccc(CN(CC2(CC#N)CC2)C(C)(C)C)cc1 1653787364 GZRLHQPBAOPUKW-UHFFFAOYSA-N 286.419 3.990 30 20 CHED Cc1cccc(C)c1CN(C)c1ncc(C#N)cc1Cl 1655899904 LSPQHNGXCUHUQM-UHFFFAOYSA-N 285.778 3.860 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)Nc2sccc2C#N)C1 1672817689 BDAKOERAUXVTDT-LLVKDONJSA-N 291.420 3.958 30 20 CHED CC[C@@H](NN=C1CCC[C@@H](c2ccccc2)CC1)C(=O)O 1776066266 BMIFCUOBNGLKDO-GDBMZVCRSA-N 288.391 3.543 30 20 CHED C=CCC1(CNc2nc(C)ccc2C(=O)O)CCCC1 1776165009 FXPYVYWDLQSXGA-UHFFFAOYSA-N 274.364 3.637 30 20 CHED CC1CCC(=NNC(=S)N[C@@H]2CCCC[C@H]2C)CC1 7994258 ALKMHFDZBQGHOV-JWCMVYSZSA-N 281.469 3.595 30 20 CHED C#CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 8570383 KANNVJQMSOAOLY-UHFFFAOYSA-N 279.339 3.568 30 20 CHED N#Cc1ccc(C(=O)N2CCCC3(CCCCC3)C2)cc1 111161371 MCVOLYYKRZSCNQ-UHFFFAOYSA-N 282.387 3.745 30 20 CHED CC(C)(C)Oc1ccccc1NC(=O)c1ccc(C#N)cc1 115300390 LQIJOEPYNNQIBG-UHFFFAOYSA-N 294.354 3.988 30 20 CHED C=CCN(C(=O)c1ccc(F)cc1F)c1ccccc1 60525721 INFWDZCSFFGIRE-UHFFFAOYSA-N 273.282 3.798 30 20 CHED COc1ccc(C)cc1CCN[C@H](C)c1ccc(C#N)cc1 173838101 XLDPOBXPXKCYLD-OAHLLOKOSA-N 294.398 3.769 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCc3sccc32)c1 308143142 VXKPWLWBAHCROT-OAHLLOKOSA-N 296.395 3.987 30 20 CHED C=CCC[C@@H](NCc1ccc(N2CCCC2=O)cc1)C1CC1 178673164 UQMYZCQOVCIAOO-GOSISDBHSA-N 298.430 3.648 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(c2ccc(C#N)nc2)C2CC2)o1 301538152 UOTDOPFQMNRBBV-SJKOYZFVSA-N 293.370 3.839 30 20 CHED CC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 117448546 KOULZCQWNNTWJA-GJZGRUSLSA-N 299.418 3.841 30 20 CHED N#Cc1ccc(N2C[C@H]3CC[C@H]2C3)c(C(F)(F)F)c1 301322425 HZEDLUPRYVVOLL-QWRGUYRKSA-N 266.266 3.566 30 20 CHED CCOc1cccc(C/N=C(/N)Nc2ccc(C)c(C)c2)c1 303882431 IBHSFJHOIBBVEP-UHFFFAOYSA-N 297.402 3.629 30 20 CHED Cc1nc(C)c([C@H](C)N(C)CCC(C)(C)C#N)s1 119914198 YCFORSHBLWNWFB-NSHDSACASA-N 265.426 3.693 30 20 CHED Cc1nnc(NCC(C)(C)Cc2ccccc2)c(C#N)c1C 301306301 YRJJXFUAUISRDB-UHFFFAOYSA-N 294.402 3.646 30 20 CHED C=CC1CCN(C(=O)c2cccn2Cc2ccccc2)CC1 110968880 OZRVQJPJMOPZAB-UHFFFAOYSA-N 294.398 3.575 30 20 CHED COc1cc(CNCc2cccc(C#N)c2)ccc1SC 66971933 NDAYJZLVAKTOKD-UHFFFAOYSA-N 298.411 3.579 30 20 CHED CC[C@@H](NCc1cc(C#N)cs1)c1nc(C)cs1 177697436 LSMIGTOCJDGWHD-GFCCVEGCSA-N 277.418 3.626 30 20 CHED N#Cc1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1 179613669 KUCUAMJIQCUFER-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)c2ccccc2)c1 123182786 FLCBYRRTDQKQFO-HNNXBMFYSA-N 277.367 3.825 30 20 CHED CC(C)N/C(N)=N/CCC(c1ccccc1)c1ccccc1 303708182 MVMLSYZSYIFAOG-UHFFFAOYSA-N 295.430 3.521 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H]1CCC[C@H](C)C1 303830056 GMHOLRCACODWOT-LSDHHAIUSA-N 287.403 3.694 30 20 CHED N#Cc1cccnc1N[C@@H]1CCCOc2cc(Cl)ccc21 301989050 FCKCOTUFFVDIJN-CQSZACIVSA-N 299.761 3.932 30 20 CHED C=CCN(CCc1ccccc1)C(=O)Nc1ccncc1C 121574374 JFOHFNNILOLZBC-UHFFFAOYSA-N 295.386 3.653 30 20 CHED N#Cc1csc(C(=O)NCCC2=CCCCCC2)c1 185992142 GLNBZKIWQXEUBI-UHFFFAOYSA-N 274.389 3.630 30 20 CHED C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1ccc(C#N)cc1 187492919 JXVYEJAQBCUPHR-STQMWFEESA-N 280.375 3.899 30 20 CHED C=CCCC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 73277739 CTHFTJCECLEQTQ-MRVPVSSYSA-N 292.326 3.695 30 20 CHED N#CCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 186630736 WLXWAXIWXCGHIN-CQSZACIVSA-N 276.767 3.697 30 20 CHED CN(CCC1CCCCC1)Cc1ccccc1C#N 507594927 CVQAHHNTIWDCBU-UHFFFAOYSA-N 256.393 3.960 30 20 CHED CC[C@H](C)n1c(S[C@H](C)C#N)nnc1-c1ccccc1 504315754 XNRGHRUHSFHIBT-NWDGAFQWSA-N 286.404 3.920 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CCCc1c[nH]c2ccccc12 122177789 WBYITHLRFAYWJV-GOSISDBHSA-N 297.402 3.545 30 20 CHED N#C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1F 76646157 IYTLPVAGQKSGAW-CQSZACIVSA-N 294.285 3.567 30 20 CHED CC(C)C[C@H]1CCCN1Cc1ccc(F)cc1C#N 489570737 XMCXFBQBZJOUQY-MRXNPFEDSA-N 260.356 3.708 30 20 CHED C[C@H](Sc1nnnn1C1CCCC1)c1cccc(C#N)c1 189819333 IAAZBLAJGXRMTP-NSHDSACASA-N 299.403 3.513 30 20 CHED C=CCC[C@@H](C(=O)Nc1ccc(F)cn1)c1ccccc1 187575900 ZKUAJRGUJSTZMS-OAHLLOKOSA-N 284.334 3.909 30 20 CHED Cc1cccc([C@H](NC(=O)NC[C@H](C)C#N)C(C)(C)C)c1 182702755 UIVBZINRHYGCKW-HIFRSBDPSA-N 287.407 3.541 30 20 CHED C=CCCNC(c1ccc(OC)cc1)c1ccc(OC)cc1 77245084 JUYFSNQTBASAJA-UHFFFAOYSA-N 297.398 3.959 30 20 CHED C=CCOc1cccc(CNC(C)(C)COC(C)C)c1 414543806 CLFVVNHURXZDPF-UHFFFAOYSA-N 277.408 3.545 30 20 CHED CC(=O)c1cc(N[C@H](C#N)C2CCCCC2)ccc1F 504408624 RZSPKVOOSSTNOB-MRXNPFEDSA-N 274.339 3.913 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccc(C(=O)OC)cc2)n1 508661541 KADZXJKZESWYPH-XFFZJAGNSA-N 298.342 3.535 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]1CCOC 414291610 BJGDEFQTNOFZQP-GUDVDZBRSA-N 287.447 3.969 30 20 CHED COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc1 188884471 JXTWVONPHCCONX-JXMROGBWSA-N 284.359 3.677 30 20 CHED CC(C)(CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 416094947 GFFZUEWASFHGDP-QGZVFWFLSA-N 296.414 3.878 30 20 CHED N#CC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCCCC1 132387373 WHDLCARXWKKFEZ-UHFFFAOYSA-N 297.280 3.513 30 20 CHED CC[C@@H]1C[C@@]1(NC(=O)NCCCCC#N)c1cccc(C)c1 507185135 WCHFQOVBJFZWCU-QAPCUYQASA-N 299.418 3.613 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 41904060 HIXWUEQATAKWOM-KBRIMQKVSA-N 282.387 3.599 30 20 CHED CN(Cc1ccc(C#N)cc1F)C1CCC(F)(F)CC1 286933057 LJSJMYODTIIRSG-UHFFFAOYSA-N 282.309 3.707 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(C)c2ccccc2C#N)c1 508099264 RJSBFBOLUPOFRG-CQSZACIVSA-N 278.355 3.633 30 20 CHED C[C@@H](NCC(C)(C)CC#N)[C@@H]1C[C@H]1c1cccs1 417379410 ULERFRYESZRNIX-FRRDWIJNSA-N 262.422 3.770 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)Cc1cccs1 160562600 YAEPDYQGFLXCPH-UHFFFAOYSA-N 274.364 3.781 30 20 CHED CCCCCCCCOCC(=O)Nc1ncccc1C 131179414 IJPOUXNEZLDFML-UHFFFAOYSA-N 278.396 3.706 30 20 CHED N#CCOc1cccc(Cc2nc(C3CCCCC3)no2)c1 89644797 ROEILRPNHLUDDB-UHFFFAOYSA-N 297.358 3.610 30 20 CHED N#Cc1cccnc1NCCc1ccc2ccccc2c1 42105860 NRQRPSWUVGLPJS-UHFFFAOYSA-N 273.339 3.761 30 20 CHED CC(C)c1cccc2c1CCN(C[C@H](C#N)CCC#N)C2 191892455 VMQPWBJEZHXPEW-HNNXBMFYSA-N 281.403 3.612 30 20 CHED O=C(/C=C/c1sccc1Cl)c1cc(O)ccc1O 195339006 CRMIGZAFJLMTAH-ONEGZZNKSA-N 280.732 3.709 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 424887682 VJFGMOBNWPUUGB-LBPRGKRZSA-N 289.375 3.504 30 20 CHED C[C@H](COc1ccc(Cl)c(Cl)c1)NCC1(C#N)CC1 519865636 REKBEBRGCSVLEY-SNVBAGLBSA-N 299.201 3.654 30 20 CHED C#CCCCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 192137058 PGGAUUCPCMRGMK-CZUORRHYSA-N 273.351 3.539 30 20 CHED COCCC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 225369493 HVZGGFGWCMIAMO-UHFFFAOYSA-N 298.308 3.806 30 20 CHED N#CCCCc1nc(-c2ccccc2C(F)(F)F)no1 291010660 AYTHYDQYURMONR-UHFFFAOYSA-N 281.237 3.602 30 20 CHED CSc1ccccc1C(=O)[C@H](C#N)c1nc(C)cs1 41521269 XKACMCFHDQIACO-NSHDSACASA-N 288.397 3.664 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](C)C1CC1)c1ccccc1 133751213 ODJHFSBFXOSRLL-BBRMVZONSA-N 257.377 3.856 30 20 CHED C=C[C@](C)(CC)c1nc(CCc2ccccc2)no1 191172778 BWWFAXVYUWWXKN-MRXNPFEDSA-N 256.349 3.709 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cccc(C2CCC2)c1 336882397 BXGASLUFAKJANF-ZDUSSCGKSA-N 270.376 3.576 30 20 CHED C=C(C)[C@@H](CC(=O)N1CC[C@H](C)c2ccccc21)OCC 339207703 BPTNSNZZFNOVQY-WMLDXEAASA-N 287.403 3.898 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)CC(C)(C)C#N 336388956 ITYPARIVRONVJJ-HOCLYGCPSA-N 284.403 3.721 30 20 CHED N#Cc1cnc(N[C@H]2CCc3cc(F)ccc32)c(Cl)c1 339134037 CBRIPNWOLIPGSS-AWEZNQCLSA-N 287.725 3.845 30 20 CHED COc1cc(F)cc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 425367557 UDMPTOZKEWCOMO-CYBMUJFWSA-N 298.361 3.899 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 511695381 MEUWEBPYDFBVCI-GXFFZTMASA-N 297.320 3.678 30 20 CHED C#CCOc1ccccc1CNC[C@H]1C[C@H]1c1ccccc1 236688453 NKLDGNWGYMMYJQ-MOPGFXCFSA-N 291.394 3.592 30 20 CHED C[C@H]1CN(c2cnccc2C#N)CC[C@@H]1c1ccccc1 94168274 NGKQABRXWPBUGI-YOEHRIQHSA-N 277.371 3.583 30 20 CHED C[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(CC#N)cc1Cl 335583532 HSHFOYZFWRGTAX-MNOVXSKESA-N 291.782 3.668 30 20 CHED CC(C)/N=C(/O)c1cc(NC(=O)C(C)(C)C)ccc1F 330758551 YQFSMUURRWVMLC-UHFFFAOYSA-N 280.343 3.523 30 20 CHED CCS[C@H]1CCCCN(Cc2cc(C#N)cs2)C1 93361868 ABVGAXYHLOSXFK-ZDUSSCGKSA-N 280.462 3.727 30 20 CHED Cc1oc2ccccc2c1C/C(O)=N/C[C@@H]1CCCC1=O 330087484 NFNRNNRBZKVQGX-LBPRGKRZSA-N 285.343 3.609 30 20 CHED CC(C)c1scnc1C(=O)Nc1ccc(C#N)c(F)c1 336040532 ASHBJTLHMCVLHW-UHFFFAOYSA-N 289.335 3.530 30 20 CHED C=CCN(CCC(=O)Nc1ccccc1)Cc1ccccc1 337620450 FKXKZEJGXXCLMU-UHFFFAOYSA-N 294.398 3.703 30 20 CHED C[C@@H](C#N)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 335998427 DFEHAYJMFGBCCH-TVQRCGJNSA-N 297.185 3.817 30 20 CHED N#CCC1(CNc2cc(F)ccc2Br)CC1 232247305 UXEFXFZECRMCDK-UHFFFAOYSA-N 283.144 3.694 30 20 CHED CC(C)C[C@@H](NC(=O)c1ccc(C#N)o1)c1cccs1 431388404 CYXBWUVHNGFKON-GFCCVEGCSA-N 288.372 3.730 30 20 CHED CC[C@H](C#N)OC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 246361943 HDHHHWYDVOEUBT-VWYCJHECSA-N 298.169 3.942 30 20 CHED COC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 248733133 MPYOABQGSQPGLO-KCXAZCMYSA-N 292.810 3.699 30 20 CHED Cc1ccc2[nH]c(C(=O)Nc3ccc(F)c(C#N)c3)cc2c1 524496833 ZTKRQWIGCSRIMO-UHFFFAOYSA-N 293.301 3.739 30 20 CHED CC[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 343170846 PVOIAFATDXCBSS-INIZCTEOSA-N 297.333 3.970 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N(CC#N)c1ccccc1 522649592 SWAWTXVKUVSGST-CABCVRRESA-N 270.376 3.760 30 20 CHED CN(CC(C)(C)C#N)c1ccc(C#N)cc1C(F)(F)F 432146877 DBUJGZPPKMBGRA-UHFFFAOYSA-N 281.281 3.563 30 20 CHED C=C1CCN(C(=O)c2ccc(C)c(C)c2Cl)CC1 341296486 BODQNOKSLZQNNB-UHFFFAOYSA-N 263.768 3.749 30 20 CHED N#CC1(CN2CCC(F)(c3cccc(Cl)c3)CC2)CC1 439335353 ZVCFIKSLOAUKQV-UHFFFAOYSA-N 292.785 3.904 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 439978222 ITZNHGJUWDRLRL-DOTOQJQBSA-N 288.435 3.922 30 20 CHED N#CC1(CN2CC=C(c3ccccc3Cl)CC2)CC1 343581637 MSDLJMQIFPYATA-UHFFFAOYSA-N 272.779 3.733 30 20 CHED Cc1cc(C(=O)NC2(C#N)CCC2)sc1-c1ccccc1 521365631 BLAYBVXDFQHZOI-UHFFFAOYSA-N 296.395 3.900 30 20 CHED Cc1ccn(-c2ccc(NC[C@H](C)CCC#N)cc2)n1 602652136 KHOSUQOHJKPBBQ-CYBMUJFWSA-N 268.364 3.533 30 20 CHED CC1(CNC(=O)C2(c3cccc(C#N)c3)CC2)CCCCC1 521223002 RICFKUXRSAEPDG-UHFFFAOYSA-N 296.414 3.676 30 20 CHED CCN(C(=O)c1cc(Cl)cc(Cl)c1F)[C@@H](C)C#N 601668855 DKHKPVQOGVYQOF-ZETCQYMHSA-N 289.137 3.507 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccccc1C(F)(F)F 540398344 OJTIODKDZGFRMD-VXGBXAGGSA-N 287.325 3.541 30 20 CHED C=CCN(CCc1ccccc1)CC(=O)c1cc(C)[nH]c1C 348068676 PNOGUGYQVDQZKP-UHFFFAOYSA-N 296.414 3.545 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCSc2ccccc21 602506516 YNBVKCNQJPWLQK-GXTWGEPZSA-N 260.406 3.753 30 20 CHED COc1cc(/C=C2\CCc3ccc(C)cc3C2=O)ccc1O 255057541 KCRGMMDMADXJMB-XNTDXEJSSA-N 294.350 3.922 30 20 CHED C=CCCN(C)C(=O)c1cc(F)c2ccccc2c1 349321294 LESBMJCRZAFBQR-UHFFFAOYSA-N 257.308 3.627 30 20 CHED CCOc1ccccc1C=NOCc1ccccc1C#N 254440631 CYYVJDNLTNPCID-UHFFFAOYSA-N 280.327 3.508 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(OCC(C)C)cc2)cn1 254944619 OAYVQAUZYHOOQN-YFHOEESVSA-N 298.386 3.834 30 20 CHED CCCN(C(=O)[C@H]1C[C@H]1C)c1cc(Cl)ccc1C#N 609286344 VJVWFFDPFCFVPD-MFKMUULPSA-N 276.767 3.611 30 20 CHED C=C(C)CCNC1CCN([C@H]2CCC[C@H](C)C2)CC1 449480774 ZPDWINOLCCIGOB-RDJZCZTQSA-N 264.457 3.585 30 20 CHED C=CCOc1ccc(CN2[C@@H](C)CC[C@H]2C)cc1OC 354990253 QTGIGVYRRHGTCS-OKILXGFUSA-N 275.392 3.633 30 20 CHED CCOc1ccccc1CNc1ccc(C#N)cc1COC 603277640 MHPKZSJBQQEUKS-UHFFFAOYSA-N 296.370 3.715 30 20 CHED C=C(C)CCc1noc(-c2cc(-c3cccs3)[nH]n2)n1 351606253 COSXZHBVMWWMPQ-UHFFFAOYSA-N 286.360 3.697 30 20 CHED N#C[C@H]1CC[C@@H](NCCCCOc2ccc(Cl)cc2)C1 442780210 MLPOXMXNQPMEFJ-DZGCQCFKSA-N 292.810 3.781 30 20 CHED C=C(C)CN(C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 441230103 UYJXZSKDKWBXQG-UONOGXRCSA-N 281.827 3.530 30 20 CHED C=C(Cl)CNC(=O)c1ccc(C2SCCS2)cc1 265505655 JEOSAUIRNGLKRV-UHFFFAOYSA-N 299.848 3.648 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CC[C@H](c2ccc(F)cc2)C1 602647665 JVBLSXFVILQWHT-UKPHBRMFSA-N 274.383 3.991 30 20 CHED C=CCC(CC=C)c1nc(-c2cnc3ccccn23)no1 445574136 JDPCHRODVXQKGA-UHFFFAOYSA-N 280.331 3.620 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](C)c1ccccc1Cl 359452654 LFCYDWQNPRMFEM-SECBINFHSA-N 288.734 3.604 30 20 CHED C=CCCCCCNc1cc2c(cc1F)NC(=O)CC2 447409821 XXRMWWNELFRACR-UHFFFAOYSA-N 276.355 3.869 30 20 CHED C=CCC1(C(=O)NCCc2cccc(F)c2F)CCCC1 449855637 KDSIHODUFBNTJO-UHFFFAOYSA-N 293.357 3.760 30 20 CHED CC(C)(NCCCC#N)c1cccc(C(F)(F)F)c1 264074401 BYKZVFFDRFMAQD-UHFFFAOYSA-N 270.298 3.834 30 20 CHED CCN(CC)c1ccc(NCc2ccc(C#N)c(C)c2)cn1 443981241 CBLZQFDXMVEGGQ-UHFFFAOYSA-N 294.402 3.720 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 448830373 HZYNLICNYKFKIB-MBNYWOFBSA-N 286.375 3.578 30 20 CHED C=CCCCC(=O)N(C)c1ccc2ccccc2n1 359524095 OGSRNJZNRXDBNQ-UHFFFAOYSA-N 254.333 3.554 30 20 CHED C=C1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1 264492010 OAVSLHWKHBJZJL-UHFFFAOYSA-N 273.307 3.673 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(F)cc2C#N)[C@H](C)C1 360329163 KGVBIOAILMMLSV-XHBSWPGZSA-N 260.356 3.612 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2c(Cl)cccc2s1 613037424 XVEJZWPTINKDPS-SECBINFHSA-N 292.791 3.977 30 20 CHED N#Cc1ccc2nc(N3CC[C@H](c4ccco4)C3)ccc2c1 362341243 MUPKILJEWKOHJF-HNNXBMFYSA-N 289.338 3.693 30 20 CHED C=CCC[C@H](NC(=O)N(C)CC(C)(C)C#N)c1ccccc1 458581150 QYBWZXXDOZDBGH-INIZCTEOSA-N 299.418 3.885 30 20 CHED N#CCc1ccc(NC(=O)CC2CCC2)c(Cl)c1 452643890 KQFPFDCIDJVKKI-UHFFFAOYSA-N 262.740 3.535 30 20 CHED C=CCCCCCN[C@@H](C)c1ccc([S@@](C)=O)cc1 278820948 ILFAECZMBBARCA-IFXJQAMLSA-N 279.449 3.821 30 20 CHED N#C[C@H]1CCC[C@H](NCCc2nc3ccccc3s2)C1 278246834 MCFAFHJYMJBHGL-STQMWFEESA-N 285.416 3.511 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@H](c3ccccc3F)C2)n1 360266561 LMBYUDRTZNTSMO-QWHCGFSZSA-N 281.334 3.841 30 20 CHED N#Cc1cc(N2Cc3ccccc3-c3ccccc3C2)ncn1 617947226 OGWCKQNZHMEBCH-UHFFFAOYSA-N 298.349 3.535 30 20 CHED C=CCN(C(=O)Nc1ccccc1OCCC)C1CC1 271365696 MAWGQNRWPHXCRK-UHFFFAOYSA-N 274.364 3.658 30 20 CHED N#CCCCC(=O)N[C@H]1C[C@H]1c1cccc2ccccc12 360465724 FDSAOGIEVOENKQ-IRXDYDNUSA-N 278.355 3.506 30 20 CHED C=C[C@@H](C)NC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 454658888 FKSYYOIVQGGEHJ-ZBFHGGJFSA-N 284.403 3.888 30 20 CHED C[C@H](N[C@H](C)c1ccccn1)c1ccc(C#N)c(F)c1 271969611 WLSZNIZAFKXKID-NWDGAFQWSA-N 269.323 3.504 30 20 CHED C=CCOCCN(CCC)[C@@H](C)c1ccccc1OC 549399109 ZYNKFQKNDPRRSS-HNNXBMFYSA-N 277.408 3.671 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(F)cc2C)no1 274080934 XOJLLLFVQSZNRS-NSHDSACASA-N 276.311 3.838 30 20 CHED C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)c1ccc(C#N)c(F)c1 271980389 WRUYNYCZPSWTEZ-STQMWFEESA-N 298.361 3.685 30 20 CHED N#CCCCC(=O)N(Cc1ccco1)c1ccccc1 361463376 FRMPZYVMCLUCQH-UHFFFAOYSA-N 268.316 3.507 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1ccccc1SC 454911013 SXOQEDDAQJBRFJ-GFCCVEGCSA-N 278.421 3.735 30 20 CHED C=CCCCC(=O)NCC1(c2ccc(OC)cc2)CCC1 544164078 HGHUDFPLDDXLBN-UHFFFAOYSA-N 287.403 3.589 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cc2cc(C)c(C)cc2o1 540398019 ZOLFMCILIHRUKC-CABCVRRESA-N 287.403 3.885 30 20 CHED CSc1ccc([C@H](C)NCCCC#N)cc1F 273164602 AOWOYQQZQBIAGG-JTQLQIEISA-N 252.358 3.502 30 20 CHED CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1(C)C 463007534 DOUYUFSHSOVAJA-IAOVAPTHSA-N 286.419 3.801 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)c1ccc(CC)cc1 466534235 NYMAQSHTDUTLKY-INIZCTEOSA-N 273.420 3.998 30 20 CHED CC#CCCCC(=O)N(C)[C@@H]1CCCc2ccccc21 547337446 CJHBQRFLDBRVTP-QGZVFWFLSA-N 269.388 3.716 30 20 CHED COc1ccc2cc(CN(C)CCCCC#N)ccc2c1 272663851 UCXIMBVREBGFOA-UHFFFAOYSA-N 282.387 3.974 30 20 CHED CCN(Cc1ccc(CC#N)cc1)c1cccc(OC)c1 544072523 ZWYFCLMAQLSPGD-UHFFFAOYSA-N 280.371 3.788 30 20 CHED Cc1cc(C)cc(OCCNc2ccc(F)cc2C#N)c1 462377182 VFHUQOZMUFTFDC-UHFFFAOYSA-N 284.334 3.805 30 20 CHED C=CCCC(C)(C)NC(=O)CCCn1cnc2ccccc21 620861451 QKTPUVGNTCLLKN-UHFFFAOYSA-N 299.418 3.678 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 462124781 WNRHUCVFBMEMPM-JJXSEGSLSA-N 265.441 3.915 30 20 CHED C[C@@H](N=c1cc[nH]c(C#N)c1)c1cc2ccccc2s1 557583863 OHQNLLSTFRETDW-LLVKDONJSA-N 279.368 3.763 30 20 CHED COCC(C)(C)CCCN[C@@H](C)c1cccc(C#N)c1 286883876 COXFBPCEVWBSKO-AWEZNQCLSA-N 274.408 3.662 30 20 CHED C[C@H](C(=O)N1CC[C@@H](C)C2(CCC2)C1)c1cccc(C#N)c1 462606242 YXZCEQXZKWYCEM-CABCVRRESA-N 296.414 3.700 30 20 CHED CC[C@@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)C(C)C 464157464 IVJOPJIRHCKWJX-SWLSCSKDSA-N 252.402 3.503 30 20 CHED CN(CCNc1c(Cl)cccc1C#N)Cc1ccccc1 462784400 FSCNDBXFKXJPJM-UHFFFAOYSA-N 299.805 3.756 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 462125163 BAOCEBSYDPTWSM-QDEZUTFSSA-N 284.403 3.603 30 20 CHED CC[C@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 465649890 BWZPWLDQGUIPFJ-RDTXWAMCSA-N 299.418 3.841 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCC/C=C\CC 467299661 MAVXAGPVIDHFJS-QIAWRQBBSA-N 267.438 3.665 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@H](C)c1ccncc1 287364248 NRHSPKOBMXQJJY-OAHLLOKOSA-N 289.423 3.921 30 20 CHED C=CCOCCCN(C)[C@H](C)Cc1ccc(Cl)cc1 470766168 OLVVSYHVMCUKRO-CQSZACIVSA-N 281.827 3.796 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@H](c2ccccc2)C2CC2)C1 293991994 CAFTXVKVUFXQEZ-ZTFGCOKTSA-N 268.404 3.852 30 20 CHED N#Cc1nc(F)ccc1OCc1cc(Cl)cc(Cl)c1 809975813 ATBHMAKQXQTESN-UHFFFAOYSA-N 297.116 3.978 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C)c(Cl)c1F)C(C)(C)C 807880679 OQBGELNCRJNZGT-LLVKDONJSA-N 281.758 3.565 30 20 CHED C=CCCCCNC(=O)C1(Cc2ccccc2)CCC1 471710329 AUHFBHYXTZVZNJ-UHFFFAOYSA-N 271.404 3.872 30 20 CHED CCOc1ccccc1NCCCOc1cccc(C#N)c1 477583475 WOFWAXBZFOVVLQ-UHFFFAOYSA-N 296.370 3.838 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1 293555340 FLWUVPHOBXSQQC-OCCSQVGLSA-N 279.330 3.808 30 20 CHED CC[C@@H](C)CCC(=O)Oc1c(Cl)cc(C#N)cc1OC 808001106 GFQKWTKMZSMKOG-SNVBAGLBSA-N 295.766 3.952 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H]1CCC(C)(C)C1 474658822 JDBUQQNZIITWRQ-ZIAGYGMSSA-N 266.429 3.951 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)/C=C/C2CC2)s1 297867450 UBBYZNCELFYIGO-VOTSOKGWSA-N 274.389 3.822 30 20 CHED CC(=O)c1ccc(CN(CCC#N)CCC(C)C)cc1 294905162 HKVSMVFQTFVBDI-UHFFFAOYSA-N 272.392 3.651 30 20 CHED COc1cc(Cl)ccc1COc1cccc(C#N)c1 475946082 IVMPZYXHCONHJQ-UHFFFAOYSA-N 273.719 3.799 30 20 CHED N#Cc1ccc2c(c1)N(c1ccnc(-c3ccccc3)n1)CC2 569792433 FEOFQJQNYRELAC-UHFFFAOYSA-N 298.349 3.709 30 20 CHED CCCCCCCC(=O)NC[C@H]1COc2ccccc21 809223953 ZBICTYYKIKCZCN-AWEZNQCLSA-N 275.392 3.639 30 20 CHED C=CCCCC(=O)NCc1ccc(-c2ccccc2)o1 479573487 JBHQXHUQIWXZSX-UHFFFAOYSA-N 269.344 3.919 30 20 CHED CC1(C)CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 563689256 FUJHCIGZMPBNSR-YESZJQIVSA-N 296.414 3.747 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1OC(F)F 473499249 XUOQOTNHSUDCFF-UHFFFAOYSA-N 284.306 3.766 30 20 CHED CCN(Cc1ccccc1C)C(=O)[C@]1(C#N)CC12CCCC2 294413700 PITNCNRPUNYLMZ-LJQANCHMSA-N 296.414 3.818 30 20 CHED CCCCCCCCN[C@@H](C)c1cc(C)n(C)n1 800480584 VWGYYHVQVKLBQJ-AWEZNQCLSA-N 251.418 3.740 30 20 CHED CC(CCc1cccc(C)c1)=NNC[C@@H]1CCSC1 811662304 HWVSQGWWAFLJCF-INIZCTEOSA-N 276.449 3.646 30 20 CHED C=CCC[C@H](C(=O)N1C[C@@H](C)[C@H](C)C1)c1ccccc1 489070144 HCQONLWOPDATPQ-INMHGKMJSA-N 271.404 3.851 30 20 CHED C=C(C)CNC(=O)NCc1ccc(C)cc1O[C@H](C)CC 488544092 LGMLQXCAVPAVLJ-CQSZACIVSA-N 290.407 3.548 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCC#Cc1ccccc1 487690310 PBZVYDMABXQIII-AEFFLSMTSA-N 298.430 3.648 30 20 CHED CSc1ccc(C=NNc2nc3ccccc3[nH]2)s1 814709322 YWIATTCSQIALBM-UHFFFAOYSA-N 288.401 3.792 30 20 CHED C#CCCCCCC(=O)NC[C@@H](c1ccccc1)C1CC1 814332334 OETCJNUAFSFNNO-SFHVURJKSA-N 283.415 3.880 30 20 CHED Cc1sccc1C=NNc1oc(CC(C)C)nc1C#N 814820650 LPMFWBRTNDKOBM-UHFFFAOYSA-N 288.376 3.561 30 20 CHED Clc1ccccc1CN1CCC(=NOCC2CC2)CC1 814244144 GAOMMDYVLGCEAH-UHFFFAOYSA-N 292.810 3.718 30 20 CHED C=CCN(CCC#N)C(=O)[C@H](CCCCC)C(C)C 816803157 OMBZRCYJFUGOHQ-OAHLLOKOSA-N 264.413 3.767 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(C)c1 488874375 CDQXZOHEGSKWBK-CYBMUJFWSA-N 263.768 3.829 30 20 CHED C[C@H](NN=C1CCCC12CCCC2)c1ccncc1 819819141 SKOLXGJLKYLNLN-ZDUSSCGKSA-N 257.381 3.833 30 20 CHED CCN(C(=O)C[C@@H]1C[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 575223382 VTEMUGQSBNMRLS-ZENOOKHLSA-N 270.376 3.514 30 20 CHED C=CCC1(C(=O)Nc2ccc3ccoc3c2)CCOCC1 575252375 LUSVRINVFPHFOJ-UHFFFAOYSA-N 285.343 3.744 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCC[C@H](F)C2)c1C#N 572516294 OQDIZDNZQYSPCY-VHSXEESVSA-N 267.735 3.608 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(SC(F)F)nc1 815843500 ZAMLFXNHOKSAKI-UHFFFAOYSA-N 294.273 3.546 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@H](OC)C[C@@H]1C 811926401 CKHIFTIYGMJAQN-HOTGVXAUSA-N 296.455 3.722 30 20 CHED C=CCCSc1nc2cc(Br)c(C)nc2[nH]1 489790432 MIEORXNMBGCOQP-UHFFFAOYSA-N 298.209 3.697 30 20 CHED CC[C@H](CC(=O)N[C@@]1(C#N)CC1(C)C)c1ccc(C)cc1 484918991 MQQDAKUXKASAQH-RDTXWAMCSA-N 284.403 3.687 30 20 CHED C#C[C@H](NC(=O)/C=C1\CC[C@H](C)C1)c1ccc(Cl)cc1 811944826 KRGRHYPTBLIYNA-ZZIWIRLVSA-N 287.790 3.877 30 20 CHED C(=NN=C(c1ccccc1)c1ccccc1)[C@H]1CCCOC1 814691698 MWVLTLNFPIIWRC-MRXNPFEDSA-N 292.382 3.936 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCCc1ccc(F)c(F)c1)CC2 579179738 YXNPHGMHFAJGRW-GOSISDBHSA-N 298.336 3.656 30 20 CHED C=CCCNCc1ccc(OCC=C)c(Cl)c1 657582836 ITWAVRLHFSHQJW-UHFFFAOYSA-N 251.757 3.571 30 20 CHED O=C1/C(=C/c2cc(F)c(F)c(F)c2)Oc2ccc(F)cc21 727974633 LGETYFYVZNRWBT-ACAGNQJTSA-N 294.203 3.859 30 20 CHED c1ccc([C@@H]2CCCC2=NNC[C@H]2CCSC2)cc1 811661188 GFLNMFLVJXGLMF-HIFRSBDPSA-N 274.433 3.653 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccccc1 814945195 PTARZMIOIBVLSP-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CCOc1ccc(C(C)=NNc2cccc(OC)c2)cc1 725853672 YKPPWXKRNANRKZ-UHFFFAOYSA-N 284.359 3.930 30 20 CHED C=CCCOCCCCC(=O)Nc1c(O)cccc1Cl 576410974 QGUXTPBKCYUSFX-UHFFFAOYSA-N 297.782 3.747 30 20 CHED N#CCCCOc1cccc(C=NOCc2ccccc2)c1 726737126 JQHKDLKXXWXHBI-UHFFFAOYSA-N 294.354 3.920 30 20 CHED CC[C@H](NCCc1ccc(C)o1)c1ccc(C#N)cc1 579433229 NQVFMNPVVISCAP-KRWDZBQOSA-N 268.360 3.743 30 20 CHED C#CCCCCNC(=O)Nc1cc(SC)ccc1Cl 824478096 IRWWKPGESNNPGI-UHFFFAOYSA-N 296.823 3.987 30 20 CHED C#CC[C@H](NC[C@H](O)[C@H](C)c1ccccc1)c1ccccc1 828688807 XMKBLJHSKZXZTM-UXPWSPDFSA-N 293.410 3.505 30 20 CHED C=CCCCC[C@H](C)NC[C@@H]1CSCCS1 823979203 GUBLRBJMHMPGQZ-QWHCGFSZSA-N 259.484 3.560 30 20 CHED N#Cc1cc[nH]c(=NC2(Cc3ccccc3)CCC2)c1Cl 576488888 DVPIRSMAGIOXDH-UHFFFAOYSA-N 297.789 3.606 30 20 CHED CCCC[C@H](CCC)N[C@H](C(=O)O)c1cccc(C#N)c1 829284510 CPKXVDJEYIMGBK-HOTGVXAUSA-N 288.391 3.632 30 20 CHED N#Cc1ccc(NCCc2ccc3c[nH]nc3c2)cc1Cl 588048665 IQLLZXVAVNWMFR-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C#CCN(C(=O)c1ccc(CF)cc1)C1CCCCC1 824325979 WGFJHDQQKJINKQ-UHFFFAOYSA-N 273.351 3.564 30 20 CHED Cc1sc(N(C)C[C@@H](C)C#N)nc1-c1ccc(F)cc1 823228295 VYZDEYQXPJIFJZ-JTQLQIEISA-N 289.379 3.854 30 20 CHED CS[C@H]1CCCC(=NNc2cnc3ccccc3n2)C1 901182542 UEGWGEJFAMPXKY-LBPRGKRZSA-N 286.404 3.703 30 20 CHED N#CCCCCCc1nc([C@H]2CCc3ccccc3C2)no1 589131558 ATOABDIPXZVOQK-INIZCTEOSA-N 295.386 3.969 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCc2ccc(C)s2)C1 660354717 JFWIJQBTBHZVKW-ZDUSSCGKSA-N 278.421 3.554 30 20 CHED CCCCC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 730416609 FEYDPJMTSJFVQK-JTQLQIEISA-N 276.336 3.802 30 20 CHED N#Cc1cccc(/C=C2/COc3ccc(Cl)cc3C2=O)c1 588425496 CSTJJFZKDKJRSR-QPEQYQDCSA-N 295.725 3.870 30 20 CHED N#CCCCCCC(=O)N1CCC[C@H]1C1CCCC1 588302899 JUWXEUZIUMQKQO-HNNXBMFYSA-N 262.397 3.642 30 20 CHED C=C(Cl)CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C 736945247 FSXMXKURIKJOJZ-YPMHNXCESA-N 253.748 3.756 30 20 CHED Cc1cc(CN[C@@H]2c3ccc(F)cc3O[C@H]2C)ccc1C#N 582510503 XCYLUJRBJKGPAD-SGTLLEGYSA-N 296.345 3.618 30 20 CHED C=CC[C@H](NC(=O)CCC(C)(C)C)c1ccncc1 737853844 AIXLTZOYQMRGCH-AWEZNQCLSA-N 260.381 3.641 30 20 CHED N#CCCCCCC(=O)Nc1nc(C2CCC2)cs1 588723474 NFHKXNSMJCXCLQ-UHFFFAOYSA-N 277.393 3.823 30 20 CHED C[C@H](C(=O)OCc1ccccc1C(C)(C)C#N)C1CCC1 838387879 GBTZKEFDUSPPSY-ZDUSSCGKSA-N 285.387 3.967 30 20 CHED COc1cccc(/C=N/[C@H](C)Cc2ccc(C)s2)c1O 737440049 AQMWRCPHTZRQQY-JDAJCMJVSA-N 289.400 3.821 30 20 CHED Cc1cccc(/C=C/C(=O)c2csc(C(=O)O)c2)c1C 731158898 LIHFSGXHBOMNTD-VOTSOKGWSA-N 286.352 3.959 30 20 CHED C=CCC1(C(=O)OCc2cscn2)CCCCC1 838149559 FEUPEMMSXQXYJW-UHFFFAOYSA-N 265.378 3.713 30 20 CHED C[C@H](C[C@H]1CCOC1)Nc1ccc(C(F)(F)F)cc1C#N 589583366 ADLSPIACWGBHBT-GHMZBOCLSA-N 298.308 3.804 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)[C@H](C#N)c1nc(C)cs1 835035705 HWGMVEWEGMGAKE-IUCAKERBSA-N 290.310 3.606 30 20 CHED Cc1nc(C)c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 589254902 OZCCGKUUGXLXRG-IRXDYDNUSA-N 295.386 3.563 30 20 CHED C#CCOc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 730979277 RAUTZQKKUHXUJK-UHFFFAOYSA-N 299.757 3.913 30 20 CHED C=CC[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C 735066689 VVEIHOMDFBLQML-NSHDSACASA-N 288.416 3.850 30 20 CHED CC(C)(CNC(=O)CCCCCC#N)c1cccs1 588157989 YRWMAPLRUHJBMZ-UHFFFAOYSA-N 278.421 3.616 30 20 CHED C[C@@H]1CC=C(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 836781850 REXMPOUMVIRRKS-CHWSQXEVSA-N 284.359 3.662 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)C1CCSCC1 835020833 PYHGQPVTIWCDAX-INIZCTEOSA-N 292.423 3.922 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1ccccc1Cl 837312456 PIXSDTPRHSDZIX-LLVKDONJSA-N 263.768 3.567 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(F)cc3cccnc23)C1 839053546 JIVPBQVOBZUHTL-BXUZGUMPSA-N 298.317 3.613 30 20 CHED N#Cc1ccc(CCSCCc2cncs2)cc1 596385000 OYUACADELQZBPX-UHFFFAOYSA-N 274.414 3.533 30 20 CHED COCc1csc(CN[C@H]2CCc3ccc(C#N)cc32)c1 595077870 QTAXBSSKWSDSPW-KRWDZBQOSA-N 298.411 3.543 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)CC1(C#N)CCCCC1 597753489 RNKBWLZFURSHGY-ZDUSSCGKSA-N 262.397 3.640 30 20 CHED CCCCOc1cccc(CNC(=O)C#CC(C)(C)C)c1 837347972 HBYGIVHNTVKKGX-UHFFFAOYSA-N 287.403 3.531 30 20 CHED C=C[C@H](C)NC(=O)c1cc2c(Cl)cccc2s1 674952552 HOAXORZFWFZFOQ-QMMMGPOBSA-N 265.765 3.859 30 20 CHED C=CCN(C(=O)[C@@H](C)SCc1ccccc1)C(C)C 916047235 JELFRMPWBPWBSW-CQSZACIVSA-N 277.433 3.731 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(C)c(Cc2ccccc2)s1 593412829 YBFXPVSTGQELRT-CYBMUJFWSA-N 299.399 3.531 30 20 CHED CCCCCCCC(=O)N1CCC(CSC)CC1 834375785 LTQCKIZBBXDRTP-UHFFFAOYSA-N 271.470 3.949 30 20 CHED COc1ccc(C(C)(C)C/N=C\c2cccc(O)c2O)cc1 745626421 OZPRMGWLRUZNLJ-ODLFYWEKSA-N 299.370 3.503 30 20 CHED CCOc1cccc(/C=N/[C@H](C)c2cccc(C#N)c2)c1O 743501763 RCCAJGDNOCIRLF-HMHKGCENSA-N 294.354 3.843 30 20 CHED CC(C)(C/N=C/c1cccc(O)c1O)c1ccccc1F 749748621 HZTVIPVXSKCEHB-VXLYETTFSA-N 287.334 3.634 30 20 CHED CCN(C(=O)CC1(C#N)CCCCC1)[C@@H](C)C(C)C 597666561 JDBJLRJCMBOVBK-AWEZNQCLSA-N 264.413 3.744 30 20 CHED CCC[C@H](C#N)NC(=O)C1(c2ccccc2Cl)CCC1 593107372 IDGKBDURUOKWDK-GFCCVEGCSA-N 290.794 3.570 30 20 CHED Cc1cc(C)c(NN=Cc2cccnc2C)c(C)c1 743445530 ZEWAVUHNSZLKST-UHFFFAOYSA-N 253.349 3.761 30 20 CHED C=CC[C@H](NC(=O)/C=C/C1CCCC1)c1ccncc1 843550053 XOBXERIKLFEQDW-FDMDGMSGSA-N 270.376 3.561 30 20 CHED C[C@@H](C#N)N(CCSc1ccc(Cl)cc1)C1CC1 595712219 IEGNJUFRUUFPRQ-NSHDSACASA-N 280.824 3.809 30 20 CHED C=C(C)CNC(=S)N1C[C@H](C)C[C@H]1c1cccc(F)c1 741872343 KAQXQOIDAGWSBG-DOMZBBRYSA-N 292.423 3.659 30 20 CHED CC(C)Oc1ccc(C=NNc2cccc(C#N)c2)cc1 915958702 RGHCBZQBFLXBQW-UHFFFAOYSA-N 279.343 3.791 30 20 CHED N#CCC[C@@H](NC(=O)NCCCC1CCC1)c1ccccc1 595569459 YRDKFDQJJALYIT-QGZVFWFLSA-N 299.418 3.911 30 20 CHED C[C@@H]1OCCC1=NNc1ccc(Cl)cc1Cl 747740566 FRWHKQKGUTVIKS-ZETCQYMHSA-N 259.136 3.570 30 20 CHED CCOc1ccc(/C=N\[C@@H](CC)c2ccncc2)c(O)c1 741466448 RNHNKHCVQRQMEK-JJBLJPBOSA-N 284.359 3.756 30 20 CHED COc1ccc([C@H](C)/N=C/c2c(O)cccc2OC)cc1 745624650 MDVONIYWNYJICX-HWQJWEFDSA-N 285.343 3.590 30 20 CHED CC(C)(C#N)CNC(=O)N1CCC[C@H](C2CCCCC2)C1 596550440 PVGKRBAHHNCCKM-HNNXBMFYSA-N 291.439 3.538 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CC(C1CCC1)C1CCC1 599271905 JWTXJEFLEFELBX-OAHLLOKOSA-N 276.424 3.647 30 20 CHED C=C(CNC(=O)c1ccc(SC)cc1)c1ccccc1 672481777 AWEVBJRSFOXCTN-UHFFFAOYSA-N 283.396 3.852 30 20 CHED C=C(C)CON=C(C)c1cc(Cl)c(OC)cc1OC 844614953 LKDYMNRRTHHJSJ-UHFFFAOYSA-N 283.755 3.674 30 20 CHED N#CCc1ccc(-c2ccc(O[C@H]3CCOC3)cc2)s1 592983703 ICPCDCHVPGVOMH-AWEZNQCLSA-N 285.368 3.649 30 20 CHED c1cc(NN=C2CCCN3CCCC[C@H]23)c2ccncc2c1 848405756 XNAGVCPBMZLGLD-GOSISDBHSA-N 294.402 3.651 30 20 CHED CC[C@@H](CC(=O)N(CC)[C@@H](C)C#N)c1ccc(C)cc1 598358993 IJOORWSOJXXHIC-GJZGRUSLSA-N 272.392 3.639 30 20 CHED C=CCNC(=S)N(CCCC)[C@@H](C)CCCC 840761110 QMZSAOGJLXICQS-ZDUSSCGKSA-N 256.459 3.728 30 20 CHED CCC[C@@H](Nc1ncc2c(c1C#N)CCC2)c1ccccn1 591819546 OCORMYPVJLGSRJ-QGZVFWFLSA-N 292.386 3.790 30 20 CHED Cc1cc(C#N)ccc1NC[C@@]1(C)OCCc2sccc21 846754488 LRWOFGGKHWUTNK-QGZVFWFLSA-N 298.411 3.828 30 20 CHED CC[C@@H](NC1CC2(CCC2)C1)c1ccc(C#N)cc1 593719400 CXVAVDZRBCYYIM-MRXNPFEDSA-N 254.377 3.932 30 20 CHED CSc1c(F)cccc1N[C@H]1CC[C@@H](C#N)C1 597175873 QXAKSTMHJKBLBI-ZJUUUORDSA-N 250.342 3.652 30 20 CHED CC(C)(C/N=C/c1cc2ccccc2nc1O)OCC1CC1 840711942 UHDPOPQEKXUCRH-VXLYETTFSA-N 298.386 3.565 30 20 CHED C=CCOc1cccc(C=NNc2cccc([N+](=O)[O-])c2)c1 916269176 WRICKGXQSCFBBL-UHFFFAOYSA-N 297.314 3.606 30 20 CHED CCC[C@H](Sc1cccc(F)c1C#N)C(=O)OCC 594898020 MLTBUWQPAVXNEZ-ZDUSSCGKSA-N 281.352 3.521 30 20 CHED CCN(Cc1occc1C)C(=O)CC1(C#N)CCCCC1 597778907 REOXPSQMLOBZOP-UHFFFAOYSA-N 288.391 3.801 30 20 CHED C=CCCSCCNC(=O)[C@H]1C[C@@H]1c1sccc1C 597968872 OEIAQJONBAGUHB-STQMWFEESA-N 295.473 3.586 30 20 CHED C=C(C)CONC(=O)Nc1ccccc1SC(C)C 844564332 TYZOTCUNBORRFG-UHFFFAOYSA-N 280.393 3.816 30 20 CHED CCCCCCCC(=O)N[C@H]1CC[C@@H](SC)C1 742749879 NLRNGVHMKWGCJD-QWHCGFSZSA-N 257.443 3.747 30 20 CHED C=CCCCCNC(=O)N(C1CCCCC1)C1CC1 681192081 UNSIBOKXBFPBBA-UHFFFAOYSA-N 264.413 3.849 30 20 CHED Oc1nc2ccccc2cc1/C=N/[C@H]1CCC[C@@H]2C[C@H]12 840711023 OGOZHPWJUAFNGY-BDOBJFRJSA-N 266.344 3.548 30 20 CHED C[C@H](Cc1cccc(Cl)c1)C(=O)Oc1ccc(C#N)cc1 756481515 KSJVONGPJNLLEH-GFCCVEGCSA-N 299.757 3.996 30 20 CHED C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc(C(C)C)nc1 928619836 XBOVUTWUALOOQM-GDBMZVCRSA-N 288.391 3.515 30 20 CHED Cc1csc(C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851206162 OZRXMTXYEXAPCT-JTQLQIEISA-N 251.351 3.542 30 20 CHED C#CCCOC(=O)N[C@@H](CC(C)C)c1ccccc1OC 859046628 IJYLQMPYDLMUKW-HNNXBMFYSA-N 289.375 3.532 30 20 CHED CC(C)CCOC(=O)N(C)[C@H](C)c1cccc(C#N)c1 859198656 HNWZFJHGUMDUHE-CYBMUJFWSA-N 274.364 3.734 30 20 CHED C[C@H](Cc1ccc(F)cc1)C(=O)OCc1cccc(C#N)c1 921109110 ZAQLDCBXEXOWSV-CYBMUJFWSA-N 297.329 3.619 30 20 CHED C=C(Br)CNC(=O)N[C@H](C)CCCCCC 921075017 GBLBXJVVNNHCOW-LLVKDONJSA-N 291.233 3.553 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1ccc(N2CCCC2)cc1 924647514 HKHIWUUKKINEBL-HNNXBMFYSA-N 285.435 3.705 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@H](C)C1CCCCC1 751374015 KKTCGIKYIAKCEW-HNNXBMFYSA-N 278.440 3.991 30 20 CHED CCC(=NO[C@H]1CCCCO1)c1cc(F)ccc1F 755819233 DIKCYVGGJHGSAH-AWEZNQCLSA-N 269.291 3.622 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1cnc[nH]1 853347961 VTOOKUGSEFMOKA-UHFFFAOYSA-N 256.353 3.678 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)OC1CCCCCC1 851209922 QRVLYVFLBWOMTQ-KBPBESRZSA-N 295.423 3.986 30 20 CHED C=CCCN(C)c1ccc(C(F)F)cc1[N+](=O)[O-] 853519226 DEEFDLVXBMLZDL-UHFFFAOYSA-N 256.252 3.545 30 20 CHED C#C[C@@H](CC)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 754393640 CKSZYJSTGLBBQH-ZJUUUORDSA-N 284.186 3.625 30 20 CHED CCC(Cc1cccs1)=NNc1cc(C)ccn1 755900646 NJPLXIUQEQSUNW-UHFFFAOYSA-N 259.378 3.872 30 20 CHED COC1(C(C)=NNc2cccc(Br)c2)CCC1 853284611 BVLRXOHVCQXNFV-UHFFFAOYSA-N 297.196 3.806 30 20 CHED C=C[C@H](CC)CC(=O)NC1(c2cccc(F)c2)CC1 933333417 AAUFEQBFGYVHIC-GFCCVEGCSA-N 261.340 3.533 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CSc2ccccc21 851210447 VLVULECESDVUFV-DGCLKSJQSA-N 289.400 3.747 30 20 CHED COc1cc(C)sc1C(=O)O[C@H](C)CC(C)(C)C#N 851210281 TWBZIMIBGYYOKC-SECBINFHSA-N 281.377 3.550 30 20 CHED Clc1cccc(CNN=Cc2nc(Cl)cs2)c1 758118962 WHLZBLRKBMTDSH-UHFFFAOYSA-N 286.187 3.574 30 20 CHED C#CCCCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C 758688078 NHVCNWZHPWCGHP-MRXNPFEDSA-N 286.419 3.877 30 20 CHED C[C@H](C#N)OC(=O)CC1CCC(C(C)(C)C)CC1 767512365 QWTIUEWBIOCNGU-PNESKVBLSA-N 251.370 3.684 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCSCC(F)(F)F 769549455 RPIATKSLLVANPT-SOFYXZRVSA-N 297.729 3.760 30 20 CHED CC(=NNc1cc(C#N)cc(Cl)n1)c1cccc(C)c1 768374089 FSCOZZXCIAZBJK-UHFFFAOYSA-N 284.750 3.751 30 20 CHED CC(C)C[C@H](C)OC(=O)C(C)(C)Oc1ccc(C#N)cc1 764580038 BGORFGPSDVSODB-ZDUSSCGKSA-N 289.375 3.693 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)NC1CCCCCCC1 763905314 ZTNKVFMQBUVDBB-KRWDZBQOSA-N 298.430 3.988 30 20 CHED C#CCC(C)(C)C(=O)N(CCC)CC1CCCCC1 767066911 AOKIGCDFYHCUIH-UHFFFAOYSA-N 263.425 3.855 30 20 CHED Cc1cc(NN=C2C[C@H](C(C)C)c3ccccc32)ncn1 766451713 VEWKGQNDDLPGSK-OAHLLOKOSA-N 280.375 3.745 30 20 CHED Cc1cc(/C=C2\CCc3cc(O)ccc3C2=O)ccc1C#N 766490750 LKGIYEFEJBGJME-OQLLNIDSSA-N 289.334 3.785 30 20 CHED C=CCN(Cc1cc(OC)ccc1OC(F)F)C(C)C 768547812 QAGFGLGRDWDNGM-UHFFFAOYSA-N 285.334 3.693 30 20 CHED CC(C)N(Cc1ccc(O[C@@H](C)C#N)cc1)CC1CC1 768672417 DASUPFPRLBYESC-AWEZNQCLSA-N 272.392 3.598 30 20 CHED C#CCCCCCCNCc1nc(-c2ccncc2)cs1 877808584 PBTIQOXFGXHZKS-UHFFFAOYSA-N 299.443 3.878 30 20 CHED CC(=O)[C@](C#N)(CCN1CC(C)(C)C[C@@H]1C)c1ccccc1 878712524 YYCOEHCBSDHFQA-HNAYVOBHSA-N 298.430 3.547 30 20 CHED C#CCCCCCC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C 779916894 ZSLYOOBFLPBGGZ-WMZOPIPTSA-N 283.415 3.975 30 20 CHED Cc1ccc(Oc2cccc(F)c2C#N)c(Cl)n1 777787947 QBFCCNPJPVIZEU-UHFFFAOYSA-N 262.671 3.847 30 20 CHED C=CCC[C@H](CCC)NC[C@@](C)(O)c1ccc(F)cc1 773116868 GBAKYSRATNMTJD-DLBZAZTESA-N 279.399 3.758 30 20 CHED CCC1(CC)CN(c2c(C#N)cccc2C#N)CCS1 1116798868 UUPONRGBBXHIOK-UHFFFAOYSA-N 285.416 3.542 30 20 CHED Cc1ccc(NC(=O)N(C)CCC#N)c(Cl)c1Cl 1116397550 RRIIHWBEEMETLL-UHFFFAOYSA-N 286.162 3.679 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)c1 771445220 XFJAQGSFXUNHID-AWEZNQCLSA-N 282.387 3.712 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(CC#N)n1 1116636512 OKIVTRLHHDEUSM-INIZCTEOSA-N 263.344 3.556 30 20 CHED CC(C)C(CCc1ccccc1)=NN=c1cc[nH]cc1 779810104 VAUKYRREQKKNGY-UHFFFAOYSA-N 267.376 3.560 30 20 CHED Clc1ccnc(NN=C/C=C\c2ccccc2)c1 777906075 SDEHHYHJPVIKKR-GAORVGRVSA-N 257.724 3.846 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1nn(C(C)C)cc1Cl 889556905 MXAYINIXQJYXCY-LLVKDONJSA-N 296.802 3.690 30 20 CHED Cc1ccc(-c2c[nH]cc2C(=O)OCC2(C#N)CC2)s1 778431610 NZFVNNLEOLPRAJ-UHFFFAOYSA-N 286.356 3.512 30 20 CHED CC[C@@H](C)C=NNc1nc2ccc(OC)cc2cc1C 777913493 MMYZJCLFKGNPAX-LLVKDONJSA-N 271.364 3.996 30 20 CHED C=CCCC[C@H](N[C@H](C)CCCO)c1ccccc1 883197159 DTWYLEUPIAFABS-WBVHZDCISA-N 261.409 3.835 30 20 CHED CN(Cc1ccc(CF)cc1)Cc1cccc(C#N)c1 777539958 LZUFLSHTOFMUIB-UHFFFAOYSA-N 268.335 3.660 30 20 CHED C=CCCN(C)C(=O)/C=C\c1ccccc1OC(F)(F)F 786223749 RUUDURDRMPQKIR-KTKRTIGZSA-N 299.292 3.633 30 20 CHED CCc1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cc1N 783964462 YLBLRHHFMWGEPP-GFCCVEGCSA-N 294.354 3.621 30 20 CHED CCO[C@H]1CC(=NNc2ccc(Cl)c(OC)c2)C1(C)C 788472280 REOYQNONHPAKFT-AWEZNQCLSA-N 296.798 3.952 30 20 CHED N#Cc1c(F)cccc1OCCc1ccc(Cl)cc1 115352282 BQJSMDSFXCWWOY-UHFFFAOYSA-N 275.710 3.972 30 20 CHED CC(C)(NCc1ccc(C#N)s1)c1ccc(F)cc1F 886350356 RQNFLNWSQSYVMH-UHFFFAOYSA-N 292.354 3.923 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C)C2)cc1C#N 1124388192 HRMFQJPWTMPWGB-IAQYHMDHSA-N 257.333 3.602 30 20 CHED C#Cc1cccc(Nc2nc(-c3ccccn3)cs2)c1 788356374 WCFVHPWWJZDGMX-UHFFFAOYSA-N 277.352 3.930 30 20 CHED CCCCCCCCN[C@@H](c1cnn(C)c1)C(F)(F)F 783670345 LBGNJMSSAXNGIS-ZDUSSCGKSA-N 291.361 3.974 30 20 CHED CCCCCCCCC(=O)N1CCO[C@@](C)(CC)C1 785600565 GEBVMNLAIAXTRI-INIZCTEOSA-N 269.429 3.765 30 20 CHED C[C@H]1CCCC[C@H]1OCCNc1nc(Cl)c(C#N)s1 787898127 XZGWJTHRXFQORO-VHSXEESVSA-N 299.827 3.675 30 20 CHED N#CCN(C(=O)c1ccc(C2CCC2)cc1)c1ccccn1 892470173 MOBSRVJNPFWVEF-UHFFFAOYSA-N 291.354 3.519 30 20 CHED Clc1ccnc(NN=Cc2cc(Cl)cs2)c1 782268508 RCKFDPZCPRYIKT-UHFFFAOYSA-N 272.160 3.896 30 20 CHED C[C@H](OC(=O)/C=C/c1cccc(O)c1)c1ccc(C#N)cc1 784062386 QMLMTGRRKJMHQR-RSPDNQDQSA-N 293.322 3.581 30 20 CHED N#Cc1ccc(C=NNc2ccc(C#N)c(Cl)c2)c(F)c1 783876572 AQPIQCZVZIKUAS-UHFFFAOYSA-N 298.708 3.668 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccccc1Cl 780253143 PNUXVUIDUAGRIT-GFCCVEGCSA-N 280.799 3.611 30 20 CHED COC(=O)c1cc(NN=C2CCC[C@H]2CCF)ccc1C 793097631 LBMIBAVWKYVYTR-LBPRGKRZSA-N 292.354 3.709 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H]1C[C@H](C)C(=O)C(C)(C)C1 893129992 ODASCQRVEWIAEY-NWDGAFQWSA-N 266.381 3.526 30 20 CHED C=CCNN=C(C)[C@H](C)c1nc2ccccc2s1 794992808 ISSRNJPYFIKQES-JTQLQIEISA-N 259.378 3.551 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H]2CCC(C)C)cc1C#N 799351742 GYMISORDMKTRKJ-QGZVFWFLSA-N 284.403 3.908 30 20 CHED CCOc1ccccc1C=NOCC[C@@H](O)c1ccccc1 795196227 BLBGMWRFVMFXMW-QGZVFWFLSA-N 299.370 3.560 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(C)cc1C)C(C)C 798555399 DVBABKOTCAXYHG-DOTOQJQBSA-N 286.419 3.664 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCc2ccc(O)cc21 794960225 OQIVILLNYONXJD-LCYFTJDESA-N 295.294 3.513 30 20 CHED CC(C)OC(=O)CC[C@@H](C)/N=C\c1cc(Cl)ccc1O 794833183 LUWJHQLLKJYAAC-JWHLFPLYSA-N 297.782 3.585 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N(C)CC(C)C 797442569 DCBPPKVTVUXHGX-UHFFFAOYSA-N 278.371 3.522 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@H]1c1cccc(C)c1 791065375 RCMVPCONQCIUSE-SJORKVTESA-N 284.403 3.643 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](F)CC1CCCCC1 793977313 VQBPIBROFKVOQR-LSDHHAIUSA-N 267.388 3.862 30 20 CHED C#C[C@H](NC(=O)[C@H](CC(C)C)c1ccccc1)C(C)C 799045927 XJXWSZJISOKEFZ-SJORKVTESA-N 271.404 3.590 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)Nc1cc(F)cc(C#N)c1 1208346296 SYXGQCDVKDMYJC-JRPNMDOOSA-N 289.354 3.644 30 20 CHED C[C@@H]1Cc2ccccc2C1=NNc1cccc(Cl)n1 793164041 QOXXVLZXSJEPJH-SNVBAGLBSA-N 271.751 3.743 30 20 CHED CC(=NNCCC(F)(F)F)[C@H](C)c1ccccc1 794545479 LEQXYVUODQUBOL-JTQLQIEISA-N 258.287 3.708 30 20 CHED O=C1c2ccccc2CCN1N=CCc1cccc(Cl)c1 794921952 MLZLYADLLMMLEJ-UHFFFAOYSA-N 298.773 3.567 30 20 CHED COc1ccccc1CC(C)=NNc1cccc(Cl)n1 793160514 BORHQFHGZKGORY-UHFFFAOYSA-N 289.766 3.774 30 20 CHED CC(C)[C@@H]1CCCC(=NNCCC(F)(F)F)C1 794544798 FRBWAJIIEZGAIK-SNVBAGLBSA-N 250.308 3.731 30 20 CHED CC(=NNCCCc1ccccc1)c1coc(C(C)C)n1 799480461 WSDJJUUCISTFSA-UHFFFAOYSA-N 285.391 3.744 30 20 CHED COCCN(C)N=C(/C=C\c1ccccc1)c1ccccc1 794969501 GMOXAQULPJWRGF-KLRBPBRWSA-N 294.398 3.682 30 20 CHED C=C(C)CNC(=S)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 795026241 AYNWJFLOFXYDFK-HIFRSBDPSA-N 292.423 3.502 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCc2cc(F)ccc21 135239997 UNYGTPHLQHTGSQ-INIZCTEOSA-N 270.282 3.936 30 20 CHED Cc1nn(-c2ccc(F)cc2)c(C)c1C=NOC(C)(C)C 1319684547 HAFSHTSHJDBQBH-UHFFFAOYSA-N 289.354 3.777 30 20 CHED N#Cc1ccnc(CSc2ccc(F)cc2F)c1 1165391324 YCTWQTWRQRZJOF-UHFFFAOYSA-N 262.284 3.524 30 20 CHED C=CCc1cc(CN2CC(C)(C)C2(C)C)cc(OC)c1O 1319947673 AISAZOYLEFXPSN-UHFFFAOYSA-N 289.419 3.750 30 20 CHED Cc1cc(C)c(CCNC(=O)c2csc(C#N)c2)c(C)c1 1325151801 RTKCWGFCOZCSSQ-UHFFFAOYSA-N 298.411 3.518 30 20 CHED CC#CCCCC(=O)Nc1cc(C)nn1-c1cccc(C)c1 1320271911 QDLSMCIFUPSGNO-UHFFFAOYSA-N 295.386 3.621 30 20 CHED CC(C)(C)ON=C1CCCOc2cc(F)ccc21 1320823104 QWOAMSTTZIOMMR-UHFFFAOYSA-N 251.301 3.518 30 20 CHED C#C[C@@H](NC(=O)CCSc1ccccc1Cl)C(C)C 704276413 MRODCHOTYFTUDL-CYBMUJFWSA-N 295.835 3.596 30 20 CHED CCN(Cc1ccc(F)cc1C#N)C1CCCCC1 303207935 QINDJMIFEVAINE-UHFFFAOYSA-N 260.356 3.852 30 20 CHED CC1(C)CCC(NCc2ccc(OCC#N)cc2)CC1 79676853 WQVCTEVJQMQAGL-UHFFFAOYSA-N 272.392 3.647 30 20 CHED C[C@H]1CCC[C@H](c2nnc(-c3cccc(C#N)c3)o2)C1 1328429378 MWRXCHMARSUGTR-AAEUAGOBSA-N 267.332 3.902 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2csc(C#N)c2)C1 1326516649 JTHDXWAOQOPJSS-BLLLJJGKSA-N 296.395 3.843 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)CC#Cc1ccccc1 1252951763 XRFVETDDOVMUFJ-IAGOWNOFSA-N 269.388 3.513 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccncc1 1336215143 CAQWLOGCCRWWNX-GDBMZVCRSA-N 272.392 3.532 30 20 CHED COc1cc(C#N)ccc1CSCc1ccc(C)cn1 1337310933 OBBKSDAIIAGBRP-UHFFFAOYSA-N 284.384 3.704 30 20 CHED C#CCCCN(C)Cc1ccc(Cl)cc1Cl 766895343 FNOGRRVSSYTSPJ-UHFFFAOYSA-N 256.176 3.839 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1csc(-c2ccccc2)n1 1337715884 LARDTHKIEMNLSF-ZDUSSCGKSA-N 299.399 3.574 30 20 CHED C=CC[C@H](N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1)C(=O)O 1334776635 HSLJKFCENHBMPC-DZUCGIPZSA-N 287.403 3.578 30 20 CHED Cc1cccc(C(C)C)c1NC(=O)c1cc(C#N)ccn1 1348210237 AZRIGNQQZAQZKB-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C[C@H](CCc1ccc(F)cc1)C(=O)O[C@@H]1CC[C@H](C#N)C1 1263385946 GGKGIABPABTGED-IVMMDQJWSA-N 289.350 3.630 30 20 CHED N#C[C@@H](C(=O)/C=C/Sc1ccccc1)c1cccc(F)n1 1263378329 BZLBJOUZBSIORK-WTNCMQEWSA-N 298.342 3.703 30 20 CHED C[C@H](CCc1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1264121675 UERIUTIDBGYFGW-CYBMUJFWSA-N 296.345 3.905 30 20 CHED c1ccc(C(CC2CCC2)=NNCC2CCOCC2)cc1 1341800787 AHCVANDNBWCPGT-UHFFFAOYSA-N 286.419 3.597 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2cccc(C#N)c2)C[C@H]1C 1351936491 DIJONJIXWSGSEC-BZPMIXESSA-N 256.349 3.569 30 20 CHED CC(C)c1cccc(NC(=O)c2csc(C#N)c2)c1 1523017257 YAEBZIDWDCLRQM-UHFFFAOYSA-N 270.357 3.995 30 20 CHED Cc1noc(C(C)C)c1C(=O)O[C@@H](CC#N)c1ccco1 1526991585 DLSAKYQFMDRQOQ-LBPRGKRZSA-N 288.303 3.511 30 20 CHED Cc1ccccc1C(C)(C)CNc1ncc(C#N)cc1F 1458148397 QRJOHCIGNIGGIJ-UHFFFAOYSA-N 283.350 3.791 30 20 CHED Cc1c([C@H](C)NCc2cc(C#N)ccn2)oc2ccccc12 1459905667 KXXKFHATNWUKOV-ZDUSSCGKSA-N 291.354 3.859 30 20 CHED N#C[C@H]1CC[C@@H](Nc2nc(C3CCCCC3)ns2)C1 1472812522 PXHNLLBMNNBUAN-CMPLNLGQSA-N 276.409 3.690 30 20 CHED CCOc1cccc([C@@H]2C[C@H]2Nc2cc(C)c(C#N)cn2)c1 1472768552 NDKHSFFIPSRZSU-DLBZAZTESA-N 293.370 3.628 30 20 CHED CCC[C@H](Nc1ccc(Cl)c(C#N)n1)C1CCC1 1472803930 RGUVSKHYCNTLLK-LBPRGKRZSA-N 263.772 3.987 30 20 CHED CCOc1ccccc1COc1ccc(C#N)c(C)c1 1559406596 XIUKORMMJWFOLG-UHFFFAOYSA-N 267.328 3.844 30 20 CHED CCCC[C@@H](N=c1cc[nH]c(C#N)c1)c1ccc(OC)cc1 1639433731 CYNMFNXSYMBFPP-GOSISDBHSA-N 295.386 3.727 30 20 CHED Cc1nnc(N[C@H]2CCC(C)(C)C[C@H]2C)c(C#N)c1C 1642369798 CPPGDKCLDWEIQL-YGRLFVJLSA-N 272.396 3.592 30 20 CHED C=C(CNCc1cc(F)cc(OC)c1)c1ccccc1 1656350560 IISZPFMJXCSTQL-UHFFFAOYSA-N 271.335 3.637 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@]1(C(=O)O)CC1(C)C 1589645309 UUSLSCRSLASDDU-QGZVFWFLSA-N 297.439 3.696 30 20 CHED COc1ccc(Cl)cc1CN1CCc2ccc(C#N)cc21 1653166032 CLCIHVYGBUFITM-UHFFFAOYSA-N 298.773 3.783 30 20 CHED Cc1ccccc1SC[C@H](C)CN1CCC[C@@H](C#N)C1 1655542102 RZLFTFXTDRGPPD-ZBFHGGJFSA-N 288.460 3.959 30 20 CHED CC(C)c1ccc(NN=Cc2ccc(C(=O)O)cc2)cc1 1776060219 KASQDUAXTPHIIG-UHFFFAOYSA-N 282.343 3.954 30 20 CHED C[C@@H]1/C(=C/c2ccc(C(=O)O)s2)C(=O)c2ccccc21 1777408033 UIZLOOVBERQERZ-LMRAXHDRSA-N 284.336 3.830 30 20 CHED N#Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5108439 NCKIFDTZJYZSQW-UHFFFAOYSA-N 295.382 3.723 30 20 CHED Cc1ccccc1SCC(=O)c1cccc(C#N)c1 160835501 JBKVJRSQXKUUSE-UHFFFAOYSA-N 267.353 3.842 30 20 CHED C#CC[C@@H](OC(=O)c1cc(C)c(F)c(C)c1)c1ccccn1 154869175 XJENGHVARSPCSU-MRXNPFEDSA-N 297.329 3.759 30 20 CHED C#CCCCCNC(=O)c1cncc(-c2cccc(C)c2)c1 159274700 HQCVPQXKOGIGGG-UHFFFAOYSA-N 292.382 3.590 30 20 CHED Cc1ccc(C)c(OCC(=O)Nc2cccc(C#N)c2)c1C 28942682 VPTXDRBWUGSCEL-UHFFFAOYSA-N 294.354 3.501 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC1CCC1 1653427606 MSECOLUIMHPDFZ-ROUUACIJSA-N 268.404 3.948 30 20 CHED C#Cc1ccc(CNCc2ccc(Cl)cc2OC)cc1 809620586 KYNOQICSGJJVJR-UHFFFAOYSA-N 285.774 3.620 30 20 CHED CCN(c1ccc(C#N)c(Br)c1)C(C)C 228177562 FALQYUSBNWWLCS-UHFFFAOYSA-N 267.170 3.555 30 20 CHED Cc1c(F)cccc1NCc1ccc(F)c(C#N)c1 124728978 PRPZXOWLHSHDST-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#Cc1ccnc(NCCSc2ccccc2)c1Cl 236057267 OHRPRJCRBTWJRS-UHFFFAOYSA-N 289.791 3.811 30 20 CHED C#CCCCCNCc1ccc(Cl)c2cccnc12 151346190 GXJNOCWGKCKOQU-UHFFFAOYSA-N 272.779 3.781 30 20 CHED N#Cc1ccccc1C[S@](=O)Cc1ccc(Cl)cc1 161184253 SWLOOOJAEJXXCA-IBGZPJMESA-N 289.787 3.661 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(OC)c(OC)c1 281582236 LCWQDDGROZDCHR-GXTWGEPZSA-N 263.381 3.709 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(SC)cc1 285868674 HWFQABMGDQNRJA-XHDPSFHLSA-N 276.405 3.526 30 20 CHED C=C(Br)COc1ccc(Cl)c([N+](=O)[O-])c1 308985572 GMARWXJWQUPVTH-UHFFFAOYSA-N 292.516 3.536 30 20 CHED COC1(CNc2cccc(Cl)c2C#N)CCCC1 311181349 XZFYGTFBLQWYBI-UHFFFAOYSA-N 264.756 3.583 30 20 CHED Cc1cc(Oc2cccc(C#N)n2)c(C)c(C)c1C#N 312455844 PDPVCDRXAZZSHK-UHFFFAOYSA-N 263.300 3.543 30 20 CHED N#CCc1cccc(NCc2cccc(O)c2Cl)c1 313487004 ZGYNXHDSKDVBGG-UHFFFAOYSA-N 272.735 3.724 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H]1CCCCO1 470910946 NEWQTKROGDDHQJ-KRWDZBQOSA-N 259.393 3.634 30 20 CHED CN(Cc1cc(F)ccc1C#N)[C@@H]1CCC(C)(C)C1 361470354 RPOYEOSKNKOSCU-OAHLLOKOSA-N 260.356 3.708 30 20 CHED CO[C@H](CNc1ccc(C#N)cc1C(F)(F)F)C(C)C 361702774 SUAINQSORAKQFM-CYBMUJFWSA-N 286.297 3.660 30 20 CHED N#Cc1ccc(N2CCC[C@H]2C2CC2)cc1Br 706653868 QIYFUPFVWRMONH-AWEZNQCLSA-N 291.192 3.700 30 20 CHED C[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H](C)C1 443659170 SYPNIEQYNQTCPY-QWHCGFSZSA-N 260.356 3.565 30 20 CHED C[C@@H](CCc1ccccc1)Nc1cccc(C#N)c1 21030250 XKSQNTHCINBRAH-AWEZNQCLSA-N 250.345 3.991 30 20 CHED Cc1cc(C)cc(COC(=O)c2cccc(C#N)c2)c1 23474116 DRJJLNFPAKTIMB-UHFFFAOYSA-N 265.312 3.532 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc2c(c1)CCCC2 23677228 VFQJEYYPDRTKGV-HUUCEWRRSA-N 281.403 3.660 30 20 CHED C=CCSCC(=O)Nc1cccc2ccccc12 44257838 SNZSGNQSUCEMDG-UHFFFAOYSA-N 257.358 3.698 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 45934456 WXQPQRWVVIRNOO-UHFFFAOYSA-N 279.383 3.752 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCc1nccs1 49534651 GEKDULZQGYOGBT-UHFFFAOYSA-N 283.278 3.646 30 20 CHED Cc1cccc(CCC(=O)Nc2cc(C#N)ccc2C)c1 50212911 FMGVIJOQJRBZRG-UHFFFAOYSA-N 278.355 3.746 30 20 CHED C=CCN(Cc1ccccc1)Cc1csc([N+](=O)[O-])c1 54174535 MDABZWBFGABSKF-UHFFFAOYSA-N 288.372 3.845 30 20 CHED C#Cc1cccc(NCc2cc(F)c(F)c(F)c2)c1 62705449 UQBIDSCGODRGHE-UHFFFAOYSA-N 261.246 3.697 30 20 CHED C=CCN(Cc1cccc(C#N)c1)[C@@H]1C=CCCC1 66496932 OPZAAHLWAZBLOI-QGZVFWFLSA-N 252.361 3.655 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc[nH]c1 68448859 HWVPAMJLCCEMIC-LLVKDONJSA-N 285.372 3.661 30 20 CHED CC[C@H](C#N)Oc1cccc(CNCc2ccc(C)o2)c1 73011869 LNUWFSJKNNMUMX-OAHLLOKOSA-N 284.359 3.559 30 20 CHED N#Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)cc1 76511372 RQLCYVGWOFOVKY-MRXNPFEDSA-N 294.354 3.909 30 20 CHED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1nccs1 80260950 BOSALRNPTSPXRJ-BXUZGUMPSA-N 271.389 3.817 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1nccs1 80266701 LHWIZZSUKMYGTG-GFCCVEGCSA-N 274.389 3.559 30 20 CHED C#Cc1cccc(NCc2cccc3c2OC(C)(C)C3)c1 80506361 BSOUXHPDLPTUKC-UHFFFAOYSA-N 277.367 3.994 30 20 CHED CC(C)c1nsc(N[C@@H](C)c2ccc(C#N)cc2)n1 87640738 IWWSOCFUGDWCFQ-JTQLQIEISA-N 272.377 3.706 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 91437158 KYXUYIQCZMGMNI-MNOVXSKESA-N 269.348 3.575 30 20 CHED CCC(CC)CN(CCC#N)Cc1scnc1C 93101048 PXQZRDSCXGHQEN-UHFFFAOYSA-N 265.426 3.603 30 20 CHED Cn1cc(/C=C/C(=O)c2ccsc2)c(C(C)(C)C)n1 93901932 JKOBSUMNRHKFPJ-AATRIKPKSA-N 274.389 3.675 30 20 CHED C=CCNc1nnc(SC/C=C\c2ccccc2)s1 96449082 MJSPKPMPWSGTOE-TWGQIWQCSA-N 289.429 3.942 30 20 CHED C[C@H]1CN(C(=O)C2(C#N)CCCCC2)c2ccccc21 98114352 BLKNDEIGRBOTBK-ZDUSSCGKSA-N 268.360 3.611 30 20 CHED Cc1cc(C(=O)N[C@H](C)C#N)sc1-c1ccc(F)cc1 102340825 WHPOLOWMCVOSFL-SNVBAGLBSA-N 288.347 3.505 30 20 CHED CCC(CC)CN(CCC#N)C(=O)Cc1cccc(F)c1 104543286 VJJAIBMBVRLJNQ-UHFFFAOYSA-N 290.382 3.547 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(Cl)c1OC 105017084 YDIOHCHMWBRUGV-UHFFFAOYSA-N 282.771 3.779 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CCCc2ccccc2)C1 116811695 FIEFVMMQTADPCI-QAPCUYQASA-N 284.403 3.598 30 20 CHED Cc1cccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1C 116813951 LDRDZWFVSVRPST-SJCJKPOMSA-N 270.376 3.506 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Sc1ccc(C)cc1 116863605 NYPIYMIQYWJTSS-STQMWFEESA-N 263.406 3.556 30 20 CHED CCCCCC[C@H](CC)C(=O)Nc1ccn(CCC#N)n1 117712482 WTWIXCVYUYXFMN-AWEZNQCLSA-N 290.411 3.732 30 20 CHED C[C@H](c1cccc(Cl)c1)S(=O)(=O)CCCCC#N 119543724 JGPKEYDPBRSKJX-LLVKDONJSA-N 285.796 3.510 30 20 CHED CC[C@@H](C#N)NC(=O)C1(c2cccc(Cl)c2)CCCC1 123685195 JLJYPXNIBKPCPT-AWEZNQCLSA-N 290.794 3.570 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccccc1 123729940 TZLCAMMNIARNSU-GJZGRUSLSA-N 271.404 3.993 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCCc3sccc32)CC1 124122898 WXSJTMJVSRIRCJ-CQSZACIVSA-N 275.417 3.593 30 20 CHED CCCCCCC(=O)[C@H](C#N)C(=O)Nc1cccc(C)c1 127663015 MWKCKRFVUUBEEZ-HNNXBMFYSA-N 286.375 3.613 30 20 CHED C[C@@H](OC(=O)c1sccc1C#N)c1ccccc1 128007600 QBTSMIDXLZOKIZ-SNVBAGLBSA-N 257.314 3.538 30 20 CHED CCN(CCC#N)C(=O)c1c(C)[nH]c2ccc(Cl)cc12 133628167 WUKXKNWWCIXEAW-UHFFFAOYSA-N 289.766 3.506 30 20 CHED CC(C)(C#N)c1ccccc1CN1CCCCCC1 135092711 KVUBDUJWMKNXED-UHFFFAOYSA-N 256.393 3.864 30 20 CHED C=CCn1c(SCCCSC)nnc1-c1ccco1 153768745 FHWQEAMNWGOPDJ-UHFFFAOYSA-N 295.433 3.569 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)NC2(C#N)CCCCC2)C1 154098102 FJONBBFVKSXFJT-UONOGXRCSA-N 262.397 3.545 30 20 CHED C=CCCOCCN[C@H](C)c1cccc(Cl)c1 155637998 NDZOWVSPBFTQLG-GFCCVEGCSA-N 253.773 3.583 30 20 CHED C#CCCCCC(=O)NC1(Cc2ccccc2)CCCC1 159781530 RPPYHWDNBYWPJS-UHFFFAOYSA-N 283.415 3.852 30 20 CHED C=C(C)CNC(=O)c1ccc(-c2ccccc2Cl)o1 160965313 ZTVCWZFIQJRECF-UHFFFAOYSA-N 275.735 3.906 30 20 CHED C=CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C 168655920 MVONDNFXFWJEEY-UHFFFAOYSA-N 296.754 3.675 30 20 CHED C[C@@H](O)CCc1ccc(OCc2ccc(F)cc2C#N)cc1 171368393 JUQJZAYICTVXKO-CYBMUJFWSA-N 299.345 3.590 30 20 CHED N#CCCCCNC(=O)N1CCCCC[C@@H]1c1ccco1 172462262 RJGIDNZISDJLAP-CQSZACIVSA-N 289.379 3.600 30 20 CHED N#Cc1ccccc1SCc1ccccc1[N+](=O)[O-] 172679706 FDHMKEGCNKIQEV-UHFFFAOYSA-N 270.313 3.759 30 20 CHED N#Cc1ccc(F)c(CNc2ccc3c(c2)C(=O)CCC3)c1 175151407 SUOABSQGAGTHGB-UHFFFAOYSA-N 294.329 3.828 30 20 CHED CCN(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 175250033 TURWVDROYSDORZ-UHFFFAOYSA-N 296.395 3.801 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C2CCCCC2)oc2ccccc12 176641756 LWVSXLBKSSILLO-OAHLLOKOSA-N 296.370 3.944 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CCO[C@H]2c2ccccc2)n1 176738029 VCIBUNPSOFISSU-SJORKVTESA-N 293.370 3.512 30 20 CHED C=CCCCCCN(C)C(=O)c1cscc1C 176837195 MCVCYORIBAKZGU-UHFFFAOYSA-N 251.395 3.875 30 20 CHED C/C(=C\C(=O)O[C@@H](C#N)C1CC1)c1ccccc1Cl 177023905 XXNVYIJOWNBADL-PLWJUESGSA-N 275.735 3.589 30 20 CHED C#CCCCCNC(=O)N1CCC[C@@H]1CCc1ccccc1 177239850 OBXJOZMPAHUBHG-GOSISDBHSA-N 298.430 3.597 30 20 CHED C#CCCCCNC(=O)c1cc(SC)ccc1Cl 177348431 ZGAVYCSJXDNRRJ-UHFFFAOYSA-N 281.808 3.595 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 177866142 JNBIWOVBCSJVBS-NSHDSACASA-N 267.369 3.770 30 20 CHED CCN(C(=O)C1[C@H]2CCC[C@H]12)[C@@H](C)c1ccc(C#N)cc1 178282867 KPMGEDPCCZDOQG-RCBQFDQVSA-N 282.387 3.514 30 20 CHED CC(C)(C#N)CCCNC(C)(C)c1cccc(F)c1 179567297 ROKXHHIZDGQJQF-UHFFFAOYSA-N 262.372 3.980 30 20 CHED C=CCSCCN[C@H](CC(C)C)c1ccccn1 180457658 GZLAWLBTOOQCML-OAHLLOKOSA-N 264.438 3.678 30 20 CHED Cc1cscc1C(=O)Nc1ccccc1O[C@H](C)C#N 182054092 VDABQWXNNGUNDE-LLVKDONJSA-N 286.356 3.600 30 20 CHED C[C@@H]1CC(C(=O)Nc2sccc2C#N)C[C@@H](C)C1 182378788 ZZIRBTXLSGUSGP-UWVGGRQHSA-N 262.378 3.631 30 20 CHED C=CCCC[C@@H](C)NC(=O)C1(c2cccc(F)c2)CC1 182600974 LTRYHAQXWIWVPW-CYBMUJFWSA-N 275.367 3.718 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 182953553 IHXAEVRAIWFOSF-GJZGRUSLSA-N 286.419 3.977 30 20 CHED C[C@H]1CC(C(=O)N(CC#N)c2ccccc2)C[C@H](C)C1 183550245 WKMJRZNRTRFWKA-ZIAGYGMSSA-N 270.376 3.615 30 20 CHED CC[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 185754130 QWZVGFDQEBAKDH-ZMSDIMECSA-N 256.393 3.852 30 20 CHED CCC1(CC)CCN(C(=O)NCc2cccc(C#N)c2)CC1 186656310 VUKNTBHJOBGHIB-UHFFFAOYSA-N 299.418 3.670 30 20 CHED Cc1ncc(CN(C)Cc2ccc(Cl)cc2C#N)s1 186684272 JZQAWHLTZDLXCK-UHFFFAOYSA-N 291.807 3.609 30 20 CHED C=CCN(C)Cc1cc(Br)c(Cl)s1 191533883 LFFGKWYYVBCHFW-UHFFFAOYSA-N 280.618 3.782 30 20 CHED C#CCCCN[C@H]1C[C@H](C)Sc2sccc21 224304106 HVRQNMMGIHMGDP-JQWIXIFHSA-N 251.420 3.677 30 20 CHED CS[C@H]1CCC[C@H](Nc2nc(C)cc(C)c2C#N)C1 227359635 IXUDXFMMBIDUIW-STQMWFEESA-N 275.421 3.656 30 20 CHED C=CCCOCCNCc1c(Cl)cccc1Cl 229879925 LWNZIGUVAQHJKC-UHFFFAOYSA-N 274.191 3.676 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1 230513768 JTYGEIHJPFVNKV-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C#CCCOc1ccc(CN[C@H](C)[C@H](C)CC)cc1 236936048 GUDRVUNXXHNTBS-HUUCEWRRSA-N 259.393 3.613 30 20 CHED C[C@H]1CC[C@@H](C)N1C(=O)N[C@H](CCC#N)c1ccccc1 247054239 ZLJGIXXJGHRTBT-IJEWVQPXSA-N 285.391 3.614 30 20 CHED C=C(C)[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccc(F)c(F)c1 248588741 YRMXJAVWXVCBMV-RBOXIYTFSA-N 281.346 3.597 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1cccc(Cl)c1 254989258 HDANYNPZXJDODK-SREVYHEPSA-N 261.708 3.841 30 20 CHED C=CC[C@@H]1N(Cc2ccc(C(=O)O)cc2)CCCC1(C)C 263436057 URXLEWULNHZDLP-INIZCTEOSA-N 287.403 3.952 30 20 CHED C[C@H](NC(=O)C(C)(C)C#N)c1nc(-c2ccccc2)cs1 264496455 YIDYLWSKONJDNQ-NSHDSACASA-N 299.399 3.537 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@@H](C)c1ccccc1Cl 265458517 DKPJLXNCYTVMLZ-JTQLQIEISA-N 287.190 3.795 30 20 CHED Fc1ccc(/C=N/OCc2ccn(C3CCCC3)n2)cc1 268567372 HDRJHUBWUDBMTN-WOJGMQOQSA-N 287.338 3.688 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C)cc(CN(C)C)c1 270404531 XNAGPXWBJPLXOP-UHFFFAOYSA-N 286.419 3.764 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(Cl)c(C(F)(F)F)c1 271145854 XYAWQHUCRABRCU-SECBINFHSA-N 290.716 3.950 30 20 CHED CC(C)[C@@H]1C[C@@H](/N=C/c2cc3ccccc3nc2O)CCO1 271313722 MMEXKSFZLXUCIC-JTINLCKDSA-N 298.386 3.563 30 20 CHED Cc1ccc(F)cc1CNC1(c2cccc(C#N)c2)CC1 272333924 SBABMDHSDGMHJW-UHFFFAOYSA-N 280.346 3.785 30 20 CHED Cc1cc2occ(C(=O)N[C@@H](C#N)C(C)(C)C)c2cc1C 274585768 MBHGCXXZEZDQTI-HNNXBMFYSA-N 284.359 3.718 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(C)(C)C#N 278379431 QKWCNCQELYZXSG-CQSZACIVSA-N 292.810 3.717 30 20 CHED CCc1nc(CCN[C@H](CC)c2ccc(C#N)cc2)cs1 278383153 DDWPMVCDIPCJRT-MRXNPFEDSA-N 299.443 3.861 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2ncccc2Br)C1 278631076 UDFCTWRZJXSWJV-RKDXNWHRSA-N 283.194 3.628 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C)sc1C 280718865 FKPLYGUDSKUXND-NOLJZWGESA-N 279.449 3.997 30 20 CHED Cc1ccc2c(C(=O)NCCCCC#N)csc2c1 280807221 WLDYXMUYBBGKHU-UHFFFAOYSA-N 272.373 3.633 30 20 CHED CCCN(CC#N)Cc1ccc(N(C)c2ccccc2)nc1 281133296 XXGPLCKMTAPBHV-UHFFFAOYSA-N 294.402 3.585 30 20 CHED C[C@@H]1c2ccccc2CCN1CCCC1(C#N)CCOCC1 282039380 QTDDLJILLTYTNL-MRXNPFEDSA-N 298.430 3.706 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1 285363983 VTIRPWOAVKRLNU-ZUZCIYMTSA-N 277.318 3.656 30 20 CHED CC(C)c1[nH]ccc1C(=O)Nc1ccccc1O[C@H](C)C#N 285714534 FAZXXWNLMUCTQT-GFCCVEGCSA-N 297.358 3.681 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1ncc[nH]1)c1ccc(F)c(F)c1 285959115 FJMGHIIMZJDLSV-IINYFYTJSA-N 277.318 3.656 30 20 CHED Cc1nsc(NCc2ccc(N3CCCC3)cc2)c1C#N 285996428 DCLDEXMWTXKBAI-UHFFFAOYSA-N 298.415 3.536 30 20 CHED C=CCC[C@@H](CC)NCc1cccc(NC(=O)OC)c1 287407857 JMDRJBSGAHXHSE-CQSZACIVSA-N 276.380 3.699 30 20 CHED CC[C@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1 291696461 KDDMSVYRWHVWEL-WMLDXEAASA-N 272.392 3.625 30 20 CHED N#Cc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1Cl 294620236 YRQSIQKLPGZRIM-INIZCTEOSA-N 299.761 3.624 30 20 CHED CCN(CCC#N)C(=O)c1cc(Cl)c(F)cc1Cl 294692241 TZGVOWLTBVGMHS-UHFFFAOYSA-N 289.137 3.508 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cn1 301116255 ZKIXEXPAKNLQDD-UHFFFAOYSA-N 292.169 3.896 30 20 CHED COc1cc(N[C@@H](C)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] 301199600 PNONRYXCGSHCKN-NSHDSACASA-N 297.314 3.648 30 20 CHED N#Cc1cccc(NCC2(c3cccc(Cl)c3)CC2)n1 301355524 MFGCPYNYHKFLFI-UHFFFAOYSA-N 283.762 3.750 30 20 CHED C=CC1CCN(c2c(C#N)cnc3ccccc23)CC1 301412125 YVNUPIGSXQKANC-UHFFFAOYSA-N 263.344 3.509 30 20 CHED CCOc1cc(C)ccc1C/N=C(/N)Nc1ccc(C)cc1 305014153 LLFADPKMYYRTTM-UHFFFAOYSA-N 297.402 3.629 30 20 CHED C[C@@H](Nc1snc(Cl)c1C#N)c1ccsc1 309915536 PDJQICSRCURSDD-ZCFIWIBFSA-N 269.782 3.903 30 20 CHED C=C(CC)CN[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 313497648 FGHFZVRFILRTGI-HUUCEWRRSA-N 296.455 3.578 30 20 CHED C=CCCCCCCNC(=O)Nc1cccc(C(=O)O)c1 315115053 OUBZCNZCNVUGPH-UHFFFAOYSA-N 290.363 3.643 30 20 CHED N#Cc1ccc(NC2CC2)c(N=C(O)[C@H]2C[C@@H]2C2CC2)c1 329117939 UUSFETOHJPHFFO-KGLIPLIRSA-N 281.359 3.767 30 20 CHED C[C@H](C/C(O)=N/[C@@H]1CCCSC1)/N=C(/O)C1CCCC1 329265323 FUMRFVKAANINOT-DGCLKSJQSA-N 298.452 3.764 30 20 CHED CC[C@@H]1C[C@@H](C(O)=Nc2cnc3c(c2)CCCC3)CCO1 329326219 WMUYJRBISWBJIC-DZGCQCFKSA-N 288.391 3.754 30 20 CHED OC1=N[C@H](C/C(O)=N/CC[C@@H]2C[C@H]3CC[C@H]2C3)CCC1 329663177 PURHVQOCUAVOOJ-FQUUOJAGSA-N 278.396 3.668 30 20 CHED Cc1ccnc(C)c1N=C(O)c1csc(CC(C)C)n1 331246802 UXEYNZPGXVOFIQ-UHFFFAOYSA-N 289.404 3.990 30 20 CHED CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1Cl 334051497 QXTCDLIETJTPIZ-DOMZBBRYSA-N 290.794 3.885 30 20 CHED N#CCC1CCN(Cc2cc(F)cc(Cl)c2)CC1 334594344 ZMQMEPDFJJEQAS-UHFFFAOYSA-N 266.747 3.605 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2cccc(O)c2F)cc1 335754746 OESINBLEGPDFFI-UHFFFAOYSA-N 298.317 3.585 30 20 CHED CSc1ccc(NC(=O)c2ccc(C#N)s2)cc1 336422374 BVNAZAPRQMKCQD-UHFFFAOYSA-N 274.370 3.594 30 20 CHED C=CCC(C)(C)CNCc1c[nH]nc1-c1cccs1 336813456 CNQAVHOQCBTPKS-UHFFFAOYSA-N 275.421 3.830 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc2cccnc12 337260800 XIQQVNWMCPSSFF-ZDUSSCGKSA-N 269.348 3.711 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(COC)cc1 339079040 SZZSGYIYEMFPGL-UHFFFAOYSA-N 285.387 3.657 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2Nc2cccc(C#N)n2)cc1 339216100 WZSQUPHPNSRMQV-WMZOPIPTSA-N 293.370 3.594 30 20 CHED C[C@@H](CN(C)C(=O)c1ccc(F)c(C#N)c1)c1ccccc1 340744420 ORIATBOHGVSNRO-ZDUSSCGKSA-N 296.345 3.573 30 20 CHED Cc1nc(CNc2ncc(Cl)c(C)c2C#N)sc1C 343546126 ZLZVRDOJETUWTL-UHFFFAOYSA-N 292.795 3.601 30 20 CHED N#Cc1cnc(NC(C2CCC2)C2CCC2)c(Cl)c1 343910152 CQFFOLHZAFUFAH-UHFFFAOYSA-N 275.783 3.987 30 20 CHED N#CCCCNC(=O)N(c1ccccc1)c1ccccc1 343978508 KZALOLIZXAZMET-UHFFFAOYSA-N 279.343 3.838 30 20 CHED C=CCN(C)C(=O)Nc1ccc(Oc2cccnc2)cc1 344721760 JXSXMYAZEXJUQW-UHFFFAOYSA-N 283.331 3.524 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 345366666 BSNVSJLERZCDRB-CQSZACIVSA-N 289.338 3.670 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccn(C)c1C1CCC1 345490254 OGDSBHHKLKZVFT-CYBMUJFWSA-N 274.408 3.767 30 20 CHED CCCOc1cc(C)ccc1CNc1nc(C)ccc1C#N 346832466 NNGGIODZCOLIAN-UHFFFAOYSA-N 295.386 3.971 30 20 CHED C=C1CCN(Cc2cc(C)nc3ccccc23)CC1 353328226 HMRVPCMLPIEUFS-UHFFFAOYSA-N 252.361 3.695 30 20 CHED N#CC[C@H](CC(=O)Nc1ccccc1)c1ccccc1 353351506 VILHEVGDMYVVAX-OAHLLOKOSA-N 264.328 3.713 30 20 CHED Cc1ccc(CCCN[C@H](C)c2ccc(C#N)cc2)cn1 353935466 ZUKDOLYDSNEXKG-OAHLLOKOSA-N 279.387 3.545 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCCc3cc(OC)ccc32)CC1 354298165 CCPVCJOHOZTJMK-KRWDZBQOSA-N 299.414 3.935 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCCC1(C)C 355306431 GBJXUAHFIGUITP-AWEZNQCLSA-N 264.413 3.601 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnnc(-c2ccccc2)c1 355671064 MDCDRNUQHHQOBC-CQSZACIVSA-N 295.386 3.618 30 20 CHED C=CCCC1(C(=O)N2CCCC[C@H](SCC)C2)CC1 356010498 ZIYAGQXFEXDZIF-AWEZNQCLSA-N 281.465 3.867 30 20 CHED C=C(C)COCCN[C@@H]1CCCc2ccc(C)cc21 358286007 KKHHXLSHZVJSMF-QGZVFWFLSA-N 259.393 3.555 30 20 CHED COCC[C@H](C)SCc1ccc(Cl)cc1C#N 358659080 ZGIXYHLZUFHWTB-JTQLQIEISA-N 269.797 3.870 30 20 CHED Cc1cc(F)cc2c(N3CCC=C(F)C3)c(C#N)cnc12 362645149 XUSXXJLQJSGODM-UHFFFAOYSA-N 285.297 3.618 30 20 CHED CC1(C)C[C@H](Nc2cc(C#N)ccn2)c2ccc(F)cc2O1 367835495 IYJNXDBAZDAYDL-AWEZNQCLSA-N 297.333 3.807 30 20 CHED C[C@@H]1Oc2ccccc2[C@@H]1Nc1ncc(C#N)cc1Cl 377174943 JXVXKVNHHOWCMJ-LKFCYVNXSA-N 285.734 3.541 30 20 CHED CN(C(=O)c1cc(F)ccc1Cl)c1cccc(C#N)c1 380805868 XOZJYKQLVIRKQV-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCC(F)(F)C1 409949847 KODCDJFXEVEFAR-CYBMUJFWSA-N 297.345 3.662 30 20 CHED C=CCC1(C(=O)Nc2ccc(C#N)c(C#N)c2)CCCCC1 410496223 DKQFWGLIWFPQNK-UHFFFAOYSA-N 293.370 3.895 30 20 CHED N#CC1(CCSc2n[nH]c(C3CC3)n2)CCCCC1 412990311 ONXWWEQLYYNOMA-UHFFFAOYSA-N 276.409 3.638 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1C 413813048 CJZKYUZCTLPXTJ-RDJZCZTQSA-N 286.419 3.758 30 20 CHED CC[C@@H](CNC(=O)Nc1ccc(C#N)cc1)CC(F)(F)F 413905951 JSMQIVQVXAKFIR-SNVBAGLBSA-N 299.296 3.658 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1ccccc1N(C)C 421882030 PMKALUZURYFPHJ-GFCCVEGCSA-N 285.416 3.537 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(C(=O)c2ccccc2)CC1 424565765 PMIWPQALRILXEZ-UHFFFAOYSA-N 299.414 3.710 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[C@@H]1C 424632988 YNTAWKPBEAJJNK-FZMZJTMJSA-N 256.349 3.632 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(C)(C)c1cccc(OC)c1 424738686 PRAGXSSKAJZPRZ-UHFFFAOYSA-N 289.419 3.691 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1nsc2ccccc12 424856159 ZHTQZVPAGCOQAS-UHFFFAOYSA-N 288.416 3.557 30 20 CHED CCc1ccc(CNc2ncc3c(c2C#N)CCC3)s1 425201974 BLLSYUKEKSQVHW-UHFFFAOYSA-N 283.400 3.678 30 20 CHED C=CCN(CCC#N)Cc1csc(Cc2ccccc2)n1 428854843 CLFAHRYZIFMZEH-UHFFFAOYSA-N 297.427 3.636 30 20 CHED CC#CCCCC(=O)Nc1cnccc1-c1ccccc1 429253251 NLVXXGNZZWCJHL-UHFFFAOYSA-N 278.355 3.881 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@H]1C[C@H]1C1CCCCC1 432286089 XDSYYPWDUDWRDY-RDJZCZTQSA-N 297.402 3.957 30 20 CHED CSCc1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1 432840560 MSEGTUQECBFUGA-UHFFFAOYSA-N 291.420 3.563 30 20 CHED CCOc1ccc(C(=O)COc2ccc(C#N)c(C)c2)cc1 434646640 CFAWYIWHNKLGPD-UHFFFAOYSA-N 295.338 3.527 30 20 CHED C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)C1CCCCC1 435089549 ZJLGLAPDKRMNBE-CQSZACIVSA-N 296.414 3.675 30 20 CHED C=CCC[C@H](NC(=O)c1cc(C(C)C)[nH]n1)c1ccccc1 435405231 LHMUSKUPJJSOPL-HNNXBMFYSA-N 297.402 3.970 30 20 CHED C=CCOc1cccc(NC(=O)C2=C(C)CCC2)c1 437239532 WWGMXJRRYPVYDM-UHFFFAOYSA-N 257.333 3.690 30 20 CHED N#Cc1cnc(Sc2cccc(F)c2)c(Cl)c1 439604434 QNIKHYIIJWJLRS-UHFFFAOYSA-N 264.712 3.897 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(O)cc2F)no1 445464159 SIQLGBYJKMDDTF-UHFFFAOYSA-N 274.295 3.817 30 20 CHED C[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 448523384 YNLHRGRQBPUNAI-ZDUSSCGKSA-N 297.320 3.669 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(OC)c(F)c2)CCCC1 450150350 DACRMNXTVQHYMX-UHFFFAOYSA-N 291.366 3.934 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(CC)n1 451326705 RGRACMPXZLONKJ-UHFFFAOYSA-N 294.398 3.863 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1C(=O)CC(C)(C)C#N 452230014 JBVORNJYHAMJRA-HBNTYKKESA-N 290.329 3.504 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(Cl)cc1 452774185 DHDCFLTZYAZVJD-UHFFFAOYSA-N 265.784 3.601 30 20 CHED COC(C)(C)CCNc1ccc(CC#N)cc1Cl 453129845 NRISOKPIWYVMJE-UHFFFAOYSA-N 266.772 3.633 30 20 CHED CC#CCN(C)C(=O)Nc1ccc2nc(C3CC3)sc2c1 454638085 HLTMIDCATVUHST-UHFFFAOYSA-N 299.399 3.661 30 20 CHED C=C(C)CCNC(=O)N(C)Cc1ccc(Cl)c(F)c1 455320687 IDDIYHBLHXGKKJ-UHFFFAOYSA-N 284.762 3.587 30 20 CHED C[C@@H](C(=O)NCC(C)(C)CC#N)c1cc2ccccc2o1 457998343 XDEAUVWEHBUOIY-GFCCVEGCSA-N 284.359 3.592 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2cccc(Cl)c2C1 458013123 LEEFFQGGBRLFFX-INIZCTEOSA-N 277.795 3.827 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H]1CC[C@@H](C)C1 460554749 ZYXNRLUSUMIKOG-ZIAGYGMSSA-N 276.428 3.602 30 20 CHED CC#CCCOc1cccc(Oc2cccnc2)c1 462374456 WLRAAENXJJPFKZ-UHFFFAOYSA-N 253.301 3.666 30 20 CHED Cc1cccc(O[C@@H](C)CNc2ccc(F)cc2C#N)c1 462913727 MTKGVKYSAARGOH-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED CC#CCSc1ncc(C(F)(F)F)cc1Cl 463057919 RWVQKESKMMYCJB-UHFFFAOYSA-N 265.687 3.869 30 20 CHED N#Cc1cc2c(nc1SCC1CCC1)CCCC2 463277346 KZGLCDNRWLIHMQ-UHFFFAOYSA-N 258.390 3.724 30 20 CHED CO[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 463663243 WDGSZFCIBAHGKW-KGLIPLIRSA-N 298.308 3.947 30 20 CHED C=C[C@@H](C)NC(=O)CSc1ccc(C(C)(C)C)cc1 465108188 KFTFTCWKZQOZSG-GFCCVEGCSA-N 277.433 3.767 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)CC1(c2ccccc2)CC1 466324371 FNUUCRFGFSNHDC-INIZCTEOSA-N 286.419 3.714 30 20 CHED C=CC[C@H](CC)NC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 466377831 WNLJODCQADOZBX-MCIONIFRSA-N 266.429 3.950 30 20 CHED CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)CC(C)(C)C1 466387611 VDUWYFNSPOJWSI-UHFFFAOYSA-N 298.430 3.776 30 20 CHED C=CCCN(C)CCOc1ccc2ccccc2c1 467286743 ZGLLXBDHFCMPPX-UHFFFAOYSA-N 255.361 3.727 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 467330787 ATKRXFJYRNHTSZ-SFHVURJKSA-N 283.415 3.892 30 20 CHED C=CCOCCCN1CC[C@H](c2ccc(C)cc2C)C1 471007488 QTSHNADUDRDRJE-KRWDZBQOSA-N 273.420 3.685 30 20 CHED CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC 481186435 GBRWFJNZSVAKDV-HOCLYGCPSA-N 272.392 3.625 30 20 CHED COC1(CN2CC=C(c3ccc(C#N)cc3)CC2)CCCC1 483254686 NLMAWTUVFJETCU-UHFFFAOYSA-N 296.414 3.607 30 20 CHED CC#CCCNC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 483422982 YUZDSWGYENWKLA-QGZVFWFLSA-N 284.403 3.645 30 20 CHED C=CC[C@@H](C(=O)NCC(CC)CC)c1ccccc1 488332239 NITSAWVGSCWKMO-MRXNPFEDSA-N 259.393 3.899 30 20 CHED C=C(C)CNC(=O)N[C@@H](CCC)c1ccc(F)cc1F 488583738 ZQESBCIHQLNDOE-AWEZNQCLSA-N 282.334 3.681 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(C)cc1 488812161 DZVFDRXHXJGSOB-WBVHZDCISA-N 271.404 3.741 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C)Cc1cccc(F)c1 488877237 HZMDPDBYFDJRDY-RHSMWYFYSA-N 289.394 3.962 30 20 CHED C=CCn1cccc1C(=O)N[C@@H]1CCCc2sccc21 488893865 FSLWSNQFCGPZLC-CYBMUJFWSA-N 286.400 3.543 30 20 CHED N#CCC[C@H](NC(=O)/C=C/C1CCCC1)c1ccccc1 493788432 MSCDRSFPTXMNNR-UJGDBWEASA-N 282.387 3.894 30 20 CHED CC(CCCCNC(=O)OC(C)(C)C)=NNC1CCCC1 497253398 OCORJQUVPPZYHJ-UHFFFAOYSA-N 297.443 3.590 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C#N)cc1OC 501261281 ZMLGQBUKTHSOBB-UHFFFAOYSA-N 292.382 3.755 30 20 CHED C=CCC[C@@H](NS(=O)(=O)C[C@@H](C)CC)c1ccccc1 503224243 RBAWNUONEHWZFH-GOEBONIOSA-N 295.448 3.659 30 20 CHED CC1(C)Cc2cc(/C=C\c3ccncc3C#N)ccc2O1 504712412 PFIACWPZHLGAQE-HYXAFXHYSA-N 276.339 3.837 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 505354238 VJBRJMBVBPFFTI-VKJYAMAFSA-N 299.414 3.672 30 20 CHED CCCCN(CCCC)C(=O)Cc1c(F)cccc1C#N 505521521 WTWAMESATHQDMR-UHFFFAOYSA-N 290.382 3.669 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1F 507233219 PZIFRGGBIUBSPJ-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCc2ccccc2OC1 510936881 WIRRNMPPVDQQTO-HOTGVXAUSA-N 259.393 3.715 30 20 CHED C[C@@H](CC1CCCC1)C(=O)NCC#Cc1cccc(F)c1 513214239 LZGLCRIBTGFUJK-AWEZNQCLSA-N 287.378 3.510 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(C2=CCCC2)cc1 517384642 IPWDSIORBJMGJB-SFHVURJKSA-N 280.371 3.676 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(C#N)s1 519838111 IUEGSZNNWLTZQK-VXGBXAGGSA-N 290.432 3.907 30 20 CHED C=CCCCCCN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 521184419 HWWOVYMQYYMEIS-CQSZACIVSA-N 286.375 3.590 30 20 CHED C=CCNC(=O)NCc1ccccc1Oc1ccccc1C 524604530 RVGIVPYRDBLYOM-UHFFFAOYSA-N 296.370 3.773 30 20 CHED C[C@H](NC(=O)N1CCCCC(C)(C)C1)c1ccc(C#N)cc1 527085862 VRYGKEVXBCAQSX-AWEZNQCLSA-N 299.418 3.841 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 528740174 PODPSHWRCMBRQB-WBVHZDCISA-N 298.430 3.796 30 20 CHED CC[C@H](CNCc1ccc(C#N)cc1)Oc1cccc(F)c1 530764070 ZYSFUZCKCLQSQM-QGZVFWFLSA-N 298.361 3.645 30 20 CHED CC1(C)C[C@@H](Nc2cccc(C#N)n2)c2ccccc21 532717826 URYALACQAWPDKC-OAHLLOKOSA-N 263.344 3.788 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(F)cc1OC 538339913 RKWNRCQRNPQTNJ-NSHDSACASA-N 280.343 3.701 30 20 CHED N#Cc1cc(CN[C@H](c2cccs2)C2CC2)ccc1F 544400959 QXZFLXHDNNYZOJ-INIZCTEOSA-N 286.375 4.000 30 20 CHED C=CCC(C)(C)c1noc(-c2cnn(CCCC)c2C)n1 551490274 MKRGDDFRQPGBIP-UHFFFAOYSA-N 288.395 3.895 30 20 CHED C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[C@H]1C 556821401 TUYUQUAETXZXJN-PXZKYJSBSA-N 296.414 3.603 30 20 CHED C=CCOCCN[C@H](C)c1oc2ccc(OC)cc2c1C 559151721 PZGORTISOKRVHY-CYBMUJFWSA-N 289.375 3.603 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(OCC3CC3)cc2)n1 561190443 XKMMNRVMWVODBZ-UHFFFAOYSA-N 279.343 3.794 30 20 CHED CC(C)(C)c1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 563388523 WRGHEGZKVKOPMX-OAHLLOKOSA-N 278.355 3.869 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)N(CCC#N)C(C)C 564850789 ADAHSFCMFBFSDU-INIZCTEOSA-N 286.419 3.714 30 20 CHED CCCC1CCC(N(C)Cc2ccc(C#N)cn2)CC1 565160236 BOPIFAZLCGICHI-UHFFFAOYSA-N 271.408 3.744 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(F)ccc1Cl 566835111 XTTDCKOIDCRGSH-JTQLQIEISA-N 270.735 3.955 30 20 CHED CCc1cc(C(=O)Nc2ccccc2CC#N)oc1CC 567173770 MRDZCGNPRPWBKC-UHFFFAOYSA-N 282.343 3.723 30 20 CHED C=CCN(Cc1ccc(OC)cc1Br)C1CC1 569254907 JNZVFBZQLHRVRY-UHFFFAOYSA-N 296.208 3.608 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 574673303 HZWWLFAWCLJVTE-DKIMLUQUSA-N 296.414 3.756 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(C)cc2)CCC1 576826559 SQCKBWRCNKEGMD-JKSUJKDBSA-N 269.388 3.714 30 20 CHED Cc1ccsc1/C=C\C(=O)c1sccc1O 588598952 LBPUVJQIJMGALI-IHWYPQMZSA-N 250.344 3.720 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)CCCCCC#N 588652278 GNNGEHDPBFWBCY-HNNXBMFYSA-N 264.413 3.888 30 20 CHED CN(C(=O)CCCCCC#N)c1ccc2cc[nH]c2c1 588760295 ZMGGAMOPEVOGJP-UHFFFAOYSA-N 269.348 3.605 30 20 CHED C=C(CNc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 588840802 KZMMUHLZCSKPTM-UHFFFAOYSA-N 289.722 3.769 30 20 CHED CCC[C@@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 590030111 HGDIIOLVVSGJGK-SNVBAGLBSA-N 286.400 4.000 30 20 CHED C=CCC1(C(=O)N[C@H](C#N)CC(C)C)CCCCC1 590987782 FHGZHJSBRMXSCS-AWEZNQCLSA-N 262.397 3.567 30 20 CHED N#CCCC1CCN(C[C@@H]2CCc3ccccc3C2)CC1 592135149 CQIVMYSEFWNALV-QGZVFWFLSA-N 282.431 3.807 30 20 CHED CCOc1ccc(-c2ccc(N3CCCC3)nc2)cc1C#N 592985724 BPOIGFFDQOOVAA-UHFFFAOYSA-N 293.370 3.619 30 20 CHED COc1ccccc1-c1ccc(C2(C#N)CCOCC2)cc1 592986149 VFIYRFHKEZPEHR-UHFFFAOYSA-N 293.366 3.934 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)[C@@H]1C 593963241 ZRGLFHMGEZURBX-LUXYFRNMSA-N 298.430 3.678 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N(C)[C@@H](C#N)CC 594090812 WSSJNMGYONQATL-LSDHHAIUSA-N 264.413 3.744 30 20 CHED Cc1ccc(-c2ccnn2C)cc1NCC1(CC#N)CC1 594706798 GWZARQNZIKMXTI-UHFFFAOYSA-N 280.375 3.501 30 20 CHED C=CCCSCCNCc1ccc(SC)s1 594959711 AOJLQMGXOAFTQX-UHFFFAOYSA-N 273.492 3.869 30 20 CHED Cc1cc(CN(CC(C)C)c2ccc(C#N)cc2)nc(C)n1 595360861 NPTYWTBWMQPWRL-UHFFFAOYSA-N 294.402 3.628 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCc1ccc(C#N)cc1 595551909 ZPRIMUOOYFLSIO-HNNXBMFYSA-N 289.382 3.665 30 20 CHED Cc1nc(C)c(CSCC2(CC#N)CC2)s1 596340070 BYKSQABYSPDOQW-UHFFFAOYSA-N 252.408 3.687 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCc3ccc(O)cc32)c1C#N 596487502 BTTOBWDSBKGHNI-OAHLLOKOSA-N 299.761 3.720 30 20 CHED COc1ccc(NC(=O)CC2(C#N)CCCCC2)c(C)c1 597087496 GCXQYVHWZVAEPA-UHFFFAOYSA-N 286.375 3.806 30 20 CHED N#CC1(c2ccc(CN3CC[C@@H]4CCC[C@H]43)cc2)CC1 597093163 YGQJRAXRVWLGQJ-DOTOQJQBSA-N 266.388 3.616 30 20 CHED N#CC1(CC(=O)NCC23CCC(CC2)C3)CCCCC1 597445185 RRARDRYJSHUOGN-UHFFFAOYSA-N 274.408 3.547 30 20 CHED C[C@H](CCC1CC1)NC(=O)CC1(C#N)CCCCC1 597520053 ZSVZAPVSCRCYHP-CYBMUJFWSA-N 262.397 3.545 30 20 CHED CC(C)CC(CC(C)C)C(=O)N1CCC[C@H](CC#N)C1 597901268 UDCMBVIGHJPKPF-OAHLLOKOSA-N 278.440 3.847 30 20 CHED CC(C)CC(CC(C)C)C(=O)N(C1CC1)[C@H](C)C#N 598135065 NZQWQGLHUCGVAM-CYBMUJFWSA-N 264.413 3.598 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)C1CCC=CCC1 602097689 OVLJZDMHZDVZQW-LJQANCHMSA-N 296.414 3.764 30 20 CHED C[C@H](CCC#N)CN1CCC(c2nc3ccccc3[nH]2)CC1 602431255 CCJLYNKHSNOSLC-CQSZACIVSA-N 296.418 3.682 30 20 CHED C[C@H](CCC#N)CNc1cc(F)ccc1OC(F)F 602497404 UTLLWVYDROKMCQ-SECBINFHSA-N 272.270 3.779 30 20 CHED CCN(CC)Cc1ccccc1CNC[C@@H](C)CCC#N 602512691 MUGKBGWDGKDZRG-INIZCTEOSA-N 287.451 3.558 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCCOc2c(F)cccc21 602587428 GWXBIQOURFYYLP-DOMZBBRYSA-N 276.355 3.569 30 20 CHED COc1ccc2c(c1)CCC[C@H]2CNC[C@@H](C)CCC#N 602614900 ARYCEAVIEJTCQC-HOCLYGCPSA-N 286.419 3.645 30 20 CHED C[C@H](CCC#N)CN[C@H]1CC[C@H](c2cccc(F)c2)C1 602644374 MWGZGBOXDBPBIY-KMFMINBZSA-N 274.383 3.991 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCc2cc(F)c(F)c(F)c21 602684565 OVNNTTGLOFFTJC-SKDRFNHKSA-N 282.309 3.621 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(C(C)(C)C)cc1 604897221 NANMUHSUIDOFBM-ZDUSSCGKSA-N 274.408 3.748 30 20 CHED C=CCCCCCN(C)C(=O)CCc1ccccc1F 606816540 DKKPWDIWFXPMGM-UHFFFAOYSA-N 277.383 3.963 30 20 CHED CCSCc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1 608825014 VPYXTVGBYCAYGJ-HNNXBMFYSA-N 290.432 3.608 30 20 CHED C[C@H]1CCC[C@H](CNc2ncc(C#N)cc2Cl)C1 608886030 MPGGXJPNGNMIDJ-QWRGUYRKSA-N 263.772 3.845 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)CC#N)c1ccccc1C(F)(F)F 610239754 RLWZZFCMMOWMAX-MNOVXSKESA-N 298.308 3.569 30 20 CHED CC(C)(CCNCc1ccc(C#N)o1)c1ccccc1 610270731 SNSAXAIJNLUDAP-UHFFFAOYSA-N 268.360 3.609 30 20 CHED C[C@@H](NC(=O)C1CCCCCC1)c1cccc(C#N)c1 610360691 CSOBFSBWFNCCRP-CYBMUJFWSA-N 270.376 3.706 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1Cc2ccccc21 611391914 DXQDOXOMHUULMU-XLIONFOSSA-N 288.394 3.865 30 20 CHED CC(C)c1ccc(C(C)(C)NC(=O)NCCCC#N)cc1 612372183 UNXLCKSLKHMDHS-UHFFFAOYSA-N 287.407 3.648 30 20 CHED CC(C)OCc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 613255055 AKRTXOHSYPNYPU-YJBOKZPZSA-N 286.419 3.784 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@@H](C)c2c(C)noc2C)C1 617781794 UILWGJBKBCTAMP-DOMZBBRYSA-N 290.407 3.600 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2occc21 618803968 JJYBEUTZESECRL-IRXDYDNUSA-N 278.355 3.806 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 619213274 CFKQXJYIQDMBFW-NUEKZKHPSA-N 257.377 3.651 30 20 CHED CC[C@H]1CCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 619755495 ZADAEZLHZMXFHE-WFASDCNBSA-N 262.784 3.880 30 20 CHED C=C[C@@H](CC(=O)N[C@]1(C)CC1(C)C)c1ccccc1 620077063 BXJXYJBETUHEMX-SUMWQHHRSA-N 257.377 3.651 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccoc1Br 620856937 GRBNZYJFBJFJCD-UHFFFAOYSA-N 286.169 3.517 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)Cc1ccc(OC)cc1 620857935 PGTPCWUOZGNNBA-AWEZNQCLSA-N 289.419 3.735 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc2c1CCCC2 627526071 UDERKGFPVGQRDR-HNNXBMFYSA-N 298.430 3.566 30 20 CHED C=CCN(C(=O)c1cc(Cl)ccc1O)c1ccccc1 641897220 MFRQFVZCXNJHPN-UHFFFAOYSA-N 287.746 3.878 30 20 CHED C=C(C)CN(C)c1ncc(C)c(-c2ccccc2F)n1 645039027 URYRABAHPKRFQA-UHFFFAOYSA-N 271.339 3.603 30 20 CHED C=CCCNC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 666270781 VCSGNFNUJZWWSX-UHFFFAOYSA-N 274.364 3.613 30 20 CHED C=C(C)CN(C)c1nnc(-c2cc3ccccc3o2)n1CC 670112388 YRCQHWLRZBABGA-UHFFFAOYSA-N 296.374 3.724 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(F)cc1OC1CCCC1 676274588 FEKDGYVVUZPTTK-NSHDSACASA-N 292.354 3.843 30 20 CHED C=CCC[C@H](C)NCCc1c[nH]c2ccc(OC)cc12 680463950 BDECHPVXWXJKSX-ZDUSSCGKSA-N 272.392 3.663 30 20 CHED C=CCN(Cc1nn(C)c2ccccc12)c1ccccc1 682783838 BIBKTRSIQHPHPF-UHFFFAOYSA-N 277.371 3.766 30 20 CHED C[C@@H](CC1CCCC1)NCc1cc(C#N)ccc1F 712559034 UVEITGNEETZJHO-LBPRGKRZSA-N 260.356 3.756 30 20 CHED C#Cc1cccc(N(CC)C(=O)CSCCCC)c1 728479226 NVBOZZOTKJMFER-UHFFFAOYSA-N 275.417 3.554 30 20 CHED C=CCOC(=O)CCc1nc2cc(Cl)ccc2s1 730608509 MHQHFQXLSQXQRY-UHFFFAOYSA-N 281.764 3.612 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccc2c(c1)CCC2 731319030 MQOJCMTTZBFJQN-UHFFFAOYSA-N 269.323 3.546 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1F 731489806 MWUHQTWDKUTNIW-BQYQJAHWSA-N 256.276 3.736 30 20 CHED COc1ccc(CNN=C(C)c2sccc2C)cc1 733746712 AJKWYTIFFQAVGR-UHFFFAOYSA-N 274.389 3.579 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H](C)c2c(C)noc2C)c1 733750055 KTWKQSMLYHWOLF-LGQZLYSRSA-N 288.347 3.576 30 20 CHED C[C@](C#N)(NC(=O)/C=C\c1ccccc1)C1CCCCC1 734239481 DQXSLGUCSCAKCH-MENFKHAKSA-N 282.387 3.679 30 20 CHED Cc1cccc(C)c1C(=O)OCc1ccc(OCC#N)cc1 738705941 LRTDLDYETIETHM-UHFFFAOYSA-N 295.338 3.563 30 20 CHED C=CCCCCCN(C)C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 739455990 DOBCEQLEHJPFDM-KKUMJFAQSA-N 280.481 3.728 30 20 CHED CCN(C)c1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 741753143 PCHFEUHTCBLRTD-UHFFFAOYSA-N 293.414 3.646 30 20 CHED N#Cc1ccc(SCC(F)(F)C(F)F)c(F)c1 741859804 KMRPGMIIIAZWDX-UHFFFAOYSA-N 267.222 3.690 30 20 CHED O=C1/C(=C/c2cccc(F)c2)CCc2c(O)cccc21 742434498 IGWOJVQDFKBRDD-FMIVXFBMSA-N 268.287 3.744 30 20 CHED C#CCCCNC(=O)c1cc2c(Cl)cccc2s1 742790390 GVPSYFPFDDLDTA-UHFFFAOYSA-N 277.776 3.698 30 20 CHED CCON=C1C[C@H](C)c2c(Br)cccc21 743433721 DFRSGDSYCDOCQI-QMMMGPOBSA-N 268.154 3.697 30 20 CHED CC1(C)C(=NNc2cccc3cnccc23)[C@@H]2CCCO[C@H]21 743438772 QMEUJLZRXWFPTO-WMLDXEAASA-N 295.386 3.838 30 20 CHED Cn1cccc1C/N=C/c1cc(Cl)cc(Cl)c1O 743501570 NIUBFEHPMXRFMS-FRKPEAEDSA-N 283.158 3.657 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccc(C(F)(F)F)cc2)o1 746577440 VVJQFYWDALPKFA-UHFFFAOYSA-N 299.208 3.653 30 20 CHED CCCCCCCC(=O)OCC[C@@H]1CCCC1=O 748180936 VBYIPTYIJKZDJI-ZDUSSCGKSA-N 254.370 3.649 30 20 CHED Cc1cc(C)nc(NN=C2c3cccc(F)c3CC[C@H]2C)n1 748245786 DFBQYTGATRGFOM-SNVBAGLBSA-N 298.365 3.631 30 20 CHED C=CCCCC(=O)NCCCc1ccc(C)cc1C 748287971 YMVUHCCZBZYKFR-UHFFFAOYSA-N 259.393 3.709 30 20 CHED Cc1cc(C)c2nc(C3CC3)cc(C(=O)O[C@H](C)C#N)c2c1 752579087 DSEAGPITXDRIES-GFCCVEGCSA-N 294.354 3.798 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cccc(F)c2)co1 752888519 LYSHMORSTCLHPO-VOTSOKGWSA-N 259.280 3.833 30 20 CHED C#Cc1cccc(NCc2cnoc2-c2ccco2)c1 753900444 FPRHDOMEBIIIIL-UHFFFAOYSA-N 264.284 3.528 30 20 CHED C(=NNc1ccccn1)c1nc(-c2ccccc2)cs1 755519846 QFHFJOUQUYYIIN-UHFFFAOYSA-N 280.356 3.651 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)C1CCCCCCC1)OCC 755816345 OYTAGNCEVQFDPM-MRXNPFEDSA-N 281.440 3.929 30 20 CHED C=C(C)[C@H](C)OC(=O)/C=C\c1ccc2[nH]ccc2c1 755998995 BYZGMYQYMCGYOZ-HWPRWLFBSA-N 255.317 3.689 30 20 CHED Cc1ccccc1-c1cnc(CON=C2CCC2)o1 756874686 ULHNELVZJHPNQU-UHFFFAOYSA-N 256.305 3.707 30 20 CHED CC(CC1CCOCC1)=NNc1nccc2sccc12 757578785 YEJXAFNZGKOGPJ-UHFFFAOYSA-N 289.404 3.901 30 20 CHED CCC(=NOc1ccccc1C(F)(F)F)c1ccn(C)n1 758128325 GWXBEOWUUZLTBU-UHFFFAOYSA-N 297.280 3.632 30 20 CHED C#CCCCC(=O)OCCSc1ccc(Cl)cc1 759191512 JTQPIWSXTAGGMK-UHFFFAOYSA-N 282.792 3.779 30 20 CHED N#Cc1ccc(O)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 759716879 FHYHAZDIVHOFEM-XBXARRHUSA-N 298.729 3.569 30 20 CHED Cc1cc(/C=C\C(=O)c2ccccc2)cnc1Cl 760266159 ZGMBQRSVUIKNDA-FPLPWBNLSA-N 257.720 3.940 30 20 CHED C#CCCc1noc(CSc2ccc(Cl)cc2)n1 762013855 JZUPLAKUAFCWND-UHFFFAOYSA-N 278.764 3.581 30 20 CHED CCc1nc2ccccc2n1N=Cc1sccc1OC 764676957 WEHAHWRRLCKLEY-UHFFFAOYSA-N 285.372 3.551 30 20 CHED CC(C)O[C@H]1CC(=NNc2c(F)cccc2F)C1(C)C 764910999 YFAQPAZYZQSWDX-ZDUSSCGKSA-N 282.334 3.956 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)Cc1ccc(-n2cccc2)cc1 765630563 ZQGFMFRPMSBJIA-MRXNPFEDSA-N 296.370 3.501 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)/C=C(/C)c1ccccc1 767159882 MGJPCYZQXQFUOI-QBFSEMIESA-N 295.304 3.504 30 20 CHED C#C[C@H](OC(=O)Cc1coc2cc(C)c(C)cc12)C1CC1 767526992 OIGTUOSSSPVJSR-INIZCTEOSA-N 282.339 3.547 30 20 CHED C#CCC(C)(C)C(=O)OCc1csc(CCC(C)C)n1 767668964 YPRIRGUEYPKKJQ-UHFFFAOYSA-N 293.432 3.824 30 20 CHED CC(C)CCn1cccc1CN(CCC#N)CC(C)C 768153346 DMSSSSAFTCILKG-UHFFFAOYSA-N 275.440 3.906 30 20 CHED CCCOc1ccc(NCc2ccc(C#N)cc2OC)cc1 768394373 GHLONGXNXNZEKQ-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CNc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1 768854345 JOHUAQCAEUSYNM-UHFFFAOYSA-N 274.364 3.605 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc(C)ccc1O 769335373 JMAVAMACJUNTAW-UHFFFAOYSA-N 274.408 3.853 30 20 CHED C/C=C(\C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 769510264 OPMPVCWOSPSAST-WUXMJOGZSA-N 262.397 3.567 30 20 CHED COc1ccc(CNN=C2CC[C@H]2c2ccccc2)cc1 769780843 SQFNCVIVKJIYNP-KRWDZBQOSA-N 280.371 3.718 30 20 CHED CSCc1c(C(=O)OC[C@@H](C)C#N)oc2ccccc12 770949778 MOPYTMQGUHNTDW-JTQLQIEISA-N 289.356 3.612 30 20 CHED CCN(CCc1cccs1)c1snc(Cl)c1C#N 771234147 YLIOVTIVHPXXFB-UHFFFAOYSA-N 297.836 3.799 30 20 CHED Cc1cc([C@H](C)NCc2ccc(OCC#N)cc2)ccc1F 772958833 LTKGSQKJAKCTPC-AWEZNQCLSA-N 298.361 3.887 30 20 CHED CC(C)(C)CC(=O)OCC#Cc1cccc(Cl)c1 773105894 PQLACIFHWSWETI-UHFFFAOYSA-N 264.752 3.671 30 20 CHED C[C@@H](C(=O)OCC1(CC#N)CC1)c1cn(C)c2ccccc12 774121083 UBNWXGSXBITDGV-CYBMUJFWSA-N 296.370 3.519 30 20 CHED CC(=NOCc1cccc(Cl)c1Cl)c1cnn(C)c1 774820693 MJFCYLIXOPBXAV-UHFFFAOYSA-N 298.173 3.668 30 20 CHED C#C[C@@H](C)NC(=O)c1cc(Cl)ccc1SCCCC 775385423 GCSHEZWZIODLTB-LLVKDONJSA-N 295.835 3.984 30 20 CHED C#CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 776169576 HCFRDZYWZRRWTL-HNAYVOBHSA-N 274.367 3.973 30 20 CHED C=CCCOC(=O)c1cc(C)n(-c2ccccc2Cl)n1 776437352 ZTZGJBRDRNLACQ-UHFFFAOYSA-N 290.750 3.567 30 20 CHED C[C@@H](Nc1ccc(N(C)C)cc1)c1ccc(C#N)c(F)c1 777602299 KDRLLSUXULKRMA-GFCCVEGCSA-N 283.350 3.936 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1cccc(O)c1 777914833 MISZRGLMUQZONH-VURMDHGXSA-N 256.276 3.736 30 20 CHED CC[C@@H]1CCCCC1=NNc1cc(C#N)cc(Cl)n1 779781743 FSNRDXVQPOSZJY-LLVKDONJSA-N 276.771 3.975 30 20 CHED CCOc1cccc(C(C)=NNc2ccc3[nH]ncc3c2)c1 779817161 ODCYSAXUVXNBQJ-UHFFFAOYSA-N 294.358 3.798 30 20 CHED C#CCCCCCC(=O)N1CCc2c(Cl)cccc21 779936303 YADIYRMBFVUDLI-UHFFFAOYSA-N 275.779 3.813 30 20 CHED C#CCCCCCC(=O)N(Cc1ccco1)Cc1ccco1 780334301 NSEANBIFFNDRJF-UHFFFAOYSA-N 299.370 3.985 30 20 CHED Fc1cc(NN=Cc2ccc(C(F)(F)F)cc2)ccn1 781126429 BAIBPZWJOSMMJU-UHFFFAOYSA-N 283.228 3.686 30 20 CHED COc1cc(C)ccc1C(=O)OCc1ccc(C#N)cc1C 781354427 UODSGZSOLFEFFP-UHFFFAOYSA-N 295.338 3.541 30 20 CHED C=C[C@@](C)(CC)C(=O)OCC(=O)c1cc(C)ccc1C 785761035 GSQLKHPKLKJSML-KRWDZBQOSA-N 274.360 3.632 30 20 CHED C=C[C@H]1CCCCN1C[C@H](O)c1ccc(F)cc1Cl 785997006 JFJWBZCALAQCFQ-WFASDCNBSA-N 283.774 3.553 30 20 CHED COc1cc(NN=C(C)c2cccnc2)ccc1Cl 788471940 KTNIZBJGWOPLTI-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNCCc1ccncc1 789097261 GMRSWVCQCQYMHB-AWEZNQCLSA-N 261.413 3.662 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccc(C#N)cc2F)CC1 790179304 VRKICIGHLQVTCM-UHFFFAOYSA-N 287.382 3.789 30 20 CHED Cc1cccnc1NN=Cc1cccc(OC(C)C)c1 790193852 PSSIXVZILOUEOX-UHFFFAOYSA-N 269.348 3.623 30 20 CHED Cc1csc(C(=O)OCC2(CC#N)CC2)c1Cl 791816721 CLXIPRFVOQHLRG-UHFFFAOYSA-N 269.753 3.561 30 20 CHED CC[C@@H](C)CON=C(C)c1ccc(OC)c(OC)c1C 793164781 YSRLHRYEBALWLY-LLVKDONJSA-N 279.380 3.799 30 20 CHED C=CCCCCC[C@H](C)NC1CCN(CC2CC2)CC1 793526291 XROAAFFPGIHGLI-INIZCTEOSA-N 278.484 3.975 30 20 CHED C#CCCNC(=O)c1csc(-c2ccc(Cl)cc2)c1 794330852 YGTKJDHFTSBQKM-UHFFFAOYSA-N 289.787 3.822 30 20 CHED CSCCON=C(C)c1ccc(C(F)(F)F)cc1 794575152 XNFQFICYAAAJJB-UHFFFAOYSA-N 277.311 3.809 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1F)c1ccnc(F)c1 794718888 GGWVOQMSLULAJE-RQOWECAXSA-N 279.673 3.909 30 20 CHED O=C1/C(=C/c2ccc(F)cc2F)COc2cc(F)ccc21 794728566 RSCYKFKQMPJQAK-BJMVGYQFSA-N 290.240 3.763 30 20 CHED CC(=NNc1ncccc1F)c1cc2ccccc2o1 794980798 PBBWGNFLIGJRMN-UHFFFAOYSA-N 269.279 3.803 30 20 CHED CCC[C@](C)(CC)C(=O)OCc1cc(C#N)ccc1F 796333800 VODPNNYGWZXYBW-INIZCTEOSA-N 277.339 3.957 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1ccc(C)c(C)c1 796461467 IIQDBYMLIGHODX-UHFFFAOYSA-N 274.360 3.632 30 20 CHED C[C@H](OC(=O)CCc1cnc2ccccc2c1)C(C)(C)C#N 796782530 FKXJHIKAZLOUTG-ZDUSSCGKSA-N 296.370 3.649 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc(C(C)(C)C#N)cc1 798879305 KWQMDYSZVHPYMK-UHFFFAOYSA-N 298.386 3.975 30 20 CHED Cc1ccc(C(=O)OCc2c(F)cccc2F)cc1C#N 799363379 AZWBCZYJNIRBCE-UHFFFAOYSA-N 287.265 3.502 30 20 CHED FCCC[C@@H]1CCCC1=NNCc1cc(F)ccc1F 800810229 JLFBDYTUXKPQFC-NSHDSACASA-N 284.325 3.960 30 20 CHED FC(F)(F)c1cccc(NN=C2CCC[C@H]3C[C@@H]23)n1 800813184 UHVBFHIVPBBVJS-DTWKUNHWSA-N 269.270 3.688 30 20 CHED C[C@@H](CCc1ccccc1)SCCO[C@H](C)C#N 802749919 RPDNWPMHLLMSNC-KGLIPLIRSA-N 263.406 3.670 30 20 CHED Cc1nsc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1C#N 807940493 LWZMJQRTGFLOPV-UHFFFAOYSA-N 295.707 3.677 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1csc(C)n1 807989665 OYNHDWZAVDKXOK-UHFFFAOYSA-N 290.348 3.504 30 20 CHED Cc1cc(OC(=O)[C@H]2CC2(Cl)Cl)c(C)c(C)c1C#N 809035375 AROXWRSPYOEWRT-LLVKDONJSA-N 298.169 3.583 30 20 CHED C#Cc1ccc(CNc2ccc(C)cc2OCC)cc1 809599080 OGFLZIDJANVNOS-UHFFFAOYSA-N 265.356 3.987 30 20 CHED C#Cc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1 809607155 QPGQOBAZPNBWIV-GUYCJALGSA-N 265.356 3.674 30 20 CHED C=CCCCCCCCNC(=O)CC(F)(F)F 811590221 UHTFEVRSFIODTH-UHFFFAOYSA-N 251.292 3.582 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C1(F)CCCCC1 811888121 GEALNYPJOLCZKX-UHFFFAOYSA-N 290.338 3.568 30 20 CHED C=CCCCCCCCNC(=O)NCc1ncccc1F 811926966 GGIYZUSJABCNFG-UHFFFAOYSA-N 293.386 3.547 30 20 CHED CSCc1cnc(C=NNc2ccc(F)cc2)s1 814693544 WVLMLLBNMCHCDU-UHFFFAOYSA-N 281.381 3.591 30 20 CHED CC(=NNCCCc1ccccc1)c1ccc(C)nc1C 814837623 DJWRTVVVZRRLGN-UHFFFAOYSA-N 281.403 3.645 30 20 CHED CC(C)[C@H]1CC(=NNc2cnnc3ccccc23)CS1 814848948 AEBIVZNOJOLTAE-OAHLLOKOSA-N 286.404 3.559 30 20 CHED FC(F)CNN=C1CCCC[C@@H]1C1=CCCCC1 814853869 YOALEZCCPOXPEB-GFCCVEGCSA-N 256.340 3.888 30 20 CHED CC(CCCO)=NNCc1ccc(-c2ccccc2)cc1 814863091 AACYYGIHTRMCNL-UHFFFAOYSA-N 282.387 3.592 30 20 CHED CC(C)c1cnc(C=NNc2ccc3[nH]ncc3c2)s1 814900542 XYFJOHGYIHAUPZ-UHFFFAOYSA-N 285.376 3.589 30 20 CHED C=CCCN(OCc1ccccc1)[C@H]1CC[C@H](C#N)C1 815100968 YLWYUHWMFRPGDI-IRXDYDNUSA-N 270.376 3.689 30 20 CHED C=CCC(F)(F)C(=O)NC(C)(C)c1ccc(Cl)cc1 815318691 AJPIQDOZVNMETE-UHFFFAOYSA-N 287.737 3.903 30 20 CHED Cc1ccc2nc(C(=O)OC3(CC#N)CCC3)ccc2c1 816076274 FODCNZREBGGQPV-UHFFFAOYSA-N 280.327 3.536 30 20 CHED C#CCCCCCC(=O)OCC[C@@]1(C)C[C@@]1(F)Cl 822048299 IOKMKEWROQYIJD-KBPBESRZSA-N 274.763 3.818 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@@H](C)C[C@H]1C)c1ccccc1 823416283 YICMIIMKQPWXEM-BFYDXBDKSA-N 284.403 3.581 30 20 CHED CN(C(=O)C#Cc1cccs1)C1CCC(C)(C)CC1 827005023 OWTYXOXLPOQJAB-UHFFFAOYSA-N 275.417 3.527 30 20 CHED C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)C)c1ccccc1 827395407 IUILNGDGRZBHTM-BRWVUGGUSA-N 269.388 3.549 30 20 CHED CC[C@H](C)CC=NNc1ccc(C(F)(F)F)cn1 834920952 PWKVBQAOZLTYIU-VIFPVBQESA-N 259.275 3.934 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccc1 835062937 GTCOPUQHKLQKHH-BMFZPTHFSA-N 298.386 3.550 30 20 CHED Cc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)nn1C(C)C 835130843 JYRQFLSITZCVSP-CYBMUJFWSA-N 297.358 3.562 30 20 CHED C#CC[C@@H](OC(=O)[C@H](CC)CC(F)(F)F)c1ccccn1 835135017 ZZUGKFMLNKJLDF-DGCLKSJQSA-N 299.292 3.668 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1cccc(OCC#N)c1 836292227 ZXKJSSVLDRRPDX-GFCCVEGCSA-N 289.379 3.535 30 20 CHED C=C(CC)CNC(=O)N[C@H](C)c1nc2ccccc2s1 836308088 XRCOGVVKNOQMKT-LLVKDONJSA-N 289.404 3.623 30 20 CHED CCCCCCCC(=O)N1CCSC[C@@H]1C1CC1 836859490 PZFWPJQGBLQIDH-CQSZACIVSA-N 269.454 3.701 30 20 CHED CC#CCCCCOC(=O)c1cnc2ccccc2c1 838861026 YRHDLXOLZBEBBR-UHFFFAOYSA-N 267.328 3.585 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCc2cccc(Cl)c2)C1 839045402 APUMHYFZRULUOT-ZFWWWQNUSA-N 291.778 3.898 30 20 CHED COC1CCC(/N=C/c2c(O)ccc3ccccc23)CC1 840709722 FWIXOVGGJIVKEF-XDHOZWIPSA-N 283.371 3.922 30 20 CHED COCC[C@H](C)C/N=C/c1cc(Cl)cc(Cl)c1O 840712191 XBHZFEKUTLJUMU-VKPPLCHCSA-N 290.190 3.791 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H](C)CC(C)(C)C)c1 840837763 SUACRLZRGWITLF-LBPRGKRZSA-N 274.433 3.779 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)OC1CCCC1 841571952 JTEPDVXQMRKZJS-INIZCTEOSA-N 284.359 3.604 30 20 CHED CO[C@H](C=NNc1nc2ccccc2s1)CC(C)C 841605634 YTMVBSLBENXRBG-NSHDSACASA-N 277.393 3.755 30 20 CHED CCCCCCCn1ccnc1[C@@H](O)c1cccs1 842055479 YLHWMOBJZUJUES-AWEZNQCLSA-N 278.421 3.997 30 20 CHED COCC(CC(C)(C)C)=NNc1cccc(OC)c1 844572555 POXDRSMJFCUXCH-UHFFFAOYSA-N 264.369 3.546 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@@H](C)c1ccc(Cl)cc1 845528366 GJQCSOBAOISEQC-GWCFXTLKSA-N 265.740 3.679 30 20 CHED C=CC[C@@H](NC1CCC(OCC)CC1)c1ccncc1 850435620 PCMQIBNOFQZTFF-OFLPRAFFSA-N 274.408 3.636 30 20 CHED C#Cc1cccnc1N1CCC(c2ccc(F)c(F)c2)CC1 853271215 CUKWEBBSUIDIAU-UHFFFAOYSA-N 298.336 3.725 30 20 CHED CCCCCCCCCCC(=O)Nc1c(O)n[nH]c1C 854635710 VQPJDCMHYLYIPC-UHFFFAOYSA-N 281.400 3.893 30 20 CHED C#C[C@](C)(CC)NC(=O)c1cccc(-c2nc(C)cs2)c1 854697626 HJLGAYQCDNXNNU-QGZVFWFLSA-N 298.411 3.650 30 20 CHED CCCCCC[C@@H](C)C(=O)N1CCC[C@@H](CC#N)C1 855254912 RZNWAPIGMXQLGU-CABCVRRESA-N 264.413 3.745 30 20 CHED C#CCCCCC(=O)N(C)c1ccc(F)cc1Cl 857644869 WWZQXQXGVSLMMN-UHFFFAOYSA-N 267.731 3.636 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C\c2cn(C)cn2)cc1 863197281 NJZFHXUPTBFMLR-ASCRHOAZSA-N 268.360 3.830 30 20 CHED C=CCOCSc1ccc(C#N)c(C(F)(F)F)c1 865362965 LPZUCLOKHHUWOC-UHFFFAOYSA-N 273.279 3.829 30 20 CHED C=CCCCCCCCNC(=O)C1(c2ccccn2)CC1 868413849 XUUQETJEIVDONU-UHFFFAOYSA-N 286.419 3.756 30 20 CHED C[C@@H](CCC#N)CNc1ccc(N2CCCC2)c(F)c1 876824440 PGPSGKXRKGPVKF-ZDUSSCGKSA-N 275.371 3.778 30 20 CHED C[C@@H](CCC#N)CNc1ccc(OC[C@@H]2CCCO2)cc1 876826751 HQRDZYXVWPFPIL-YOEHRIQHSA-N 288.391 3.596 30 20 CHED N#CCC1(CN2CCC[C@H]2c2ccc(F)c(F)c2)CC1 878101509 SMEVKTAZJUMUEF-HNNXBMFYSA-N 276.330 3.796 30 20 CHED C=CC(C)(C)CC(=O)Nc1sc(CC)nc1C 879547649 ARRBVPUOXDKPHP-UHFFFAOYSA-N 252.383 3.555 30 20 CHED COc1ccc(CS[C@H]2CC[C@@H](C#N)C2)c(OC)c1 882306683 ISGKZJACQKQRFZ-RISCZKNCSA-N 277.389 3.629 30 20 CHED N#CCC1(CN[C@H]2CCCc3c2[nH]c2ccc(F)cc32)CC1 886605434 QKGGOBGBVLVVCP-INIZCTEOSA-N 297.377 3.968 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2cccnc21 886626802 LDEYJKJFPVAGHD-ROUUACIJSA-N 289.382 3.608 30 20 CHED Cc1nsc(N(C)C(=O)CCCCC(C)C)c1C#N 891424347 MABHCNDQSCYHRT-UHFFFAOYSA-N 279.409 3.502 30 20 CHED Cc1cc(C#N)ccc1N[C@H](c1ccccn1)C1CC1 895798238 CUDLYFLWMZJUAN-KRWDZBQOSA-N 263.344 3.825 30 20 CHED C=C1CC(c2noc(COC[C@@H](C)c3ccccc3)n2)C1 896874921 WWXSAMQMACLGSV-CYBMUJFWSA-N 284.359 3.824 30 20 CHED CC(C)c1occc1C(=O)N(O)Cc1ccc(F)cc1 901372096 QKYKTLFCCMZOSF-UHFFFAOYSA-N 277.295 3.574 30 20 CHED Cc1ccc(C(=O)/C=C\c2cncn2C(C)C)cc1 901416643 YCVNCACRPIQKBQ-HJWRWDBZSA-N 254.333 3.669 30 20 CHED CC(C)(C)c1nc(CSCC2(C#N)CCC2)co1 901796575 QNQWZMVNRDLWBL-UHFFFAOYSA-N 264.394 3.899 30 20 CHED FC(F)C(F)(F)CSCCCOC(F)(F)F 902457161 BWAQMTNOJOYLPN-UHFFFAOYSA-N 274.201 3.547 30 20 CHED Cn1cnc2cc(OCCCCC3(C#N)CCC3)ccc21 902781383 QQKWRRLAYWLFDZ-UHFFFAOYSA-N 283.375 3.816 30 20 CHED C/C=C/C(=O)Nc1cccc(C#Cc2ccccc2)c1 912906630 GSTSZMJNYDSIES-FARCUNLSSA-N 261.324 3.601 30 20 CHED Cc1cc(NN=Cc2c(Cl)cccc2Cl)nc(C)n1 915970823 ODABOZRWEOPJNQ-UHFFFAOYSA-N 295.173 3.846 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNCc2ccc(F)c(F)c2)o1 915976572 MUTDEYRSRZJMCG-GXFFZTMASA-N 290.313 3.805 30 20 CHED O=[N+]([O-])c1cccc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 916268994 KTUNGRXYJJAODL-KJEVXHAQSA-N 285.347 3.819 30 20 CHED Cc1nc2sccn2c1C=NNc1cccc(Cl)c1 916269566 YSBOSTGWYQXDDS-UHFFFAOYSA-N 290.779 3.804 30 20 CHED C(=NNCc1ccccc1)c1ccc(N2CCCCC2)s1 916344415 VXZCTVPMBMIWAD-UHFFFAOYSA-N 299.443 3.862 30 20 CHED CCOc1ccccc1C=NNc1ncnc2sccc12 916367887 AOLNWDRUGPNSHK-UHFFFAOYSA-N 298.371 3.536 30 20 CHED C[C@H](OC(=O)CSCC#N)c1ccc2ccccc2c1 919081233 JDWFMQWVAOLPHV-LBPRGKRZSA-N 285.368 3.701 30 20 CHED COc1ccc(O)c(/C=N\[C@@H](C)Cc2ccccc2F)c1 920173563 TYTJNCSKMSCDIA-XHEYCZLTSA-N 287.334 3.590 30 20 CHED CC(C)(C)c1nc(C=NNc2ncccc2Cl)cs1 920374478 GFRUZAAXRIWWNF-UHFFFAOYSA-N 294.811 3.935 30 20 CHED C[C@H](NN=Cc1ccc(OC(F)F)cc1)c1ccccc1 920386376 YXLLMKHEAFNZAF-LBPRGKRZSA-N 290.313 3.973 30 20 CHED CC(=O)Nc1cc(N=Cc2ccccc2O)ccc1Cl 920387664 PLOCZDMOLUFCKY-UHFFFAOYSA-N 288.734 3.755 30 20 CHED CCCc1ccc(N=Cc2cccc(O)c2O)cc1 920943796 IWMVPESNBVOKKH-UHFFFAOYSA-N 255.317 3.801 30 20 CHED CC(C)(CC(=O)Oc1ccc(C#N)cc1)c1ccccc1 921276173 DAKOGKNFZRDVLH-UHFFFAOYSA-N 279.339 3.832 30 20 CHED C=CCOc1cccc(NC(=O)NC(C)(C)CSC)c1 929933169 SLQVFSACFXLEOC-UHFFFAOYSA-N 294.420 3.515 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)N(CC)[C@@H](C)CC 929942353 AZEGOAKYYKDHSX-LBPRGKRZSA-N 289.379 3.609 30 20 CHED C=C[C@H](CC)CC(=O)N1CC(Cc2cccc(C)c2)C1 934421341 NZPQIOUWDPQHKG-OAHLLOKOSA-N 271.404 3.598 30 20 CHED C=C[C@H](COC)N[C@H](C)c1ccc(SC(F)F)cc1 1116642753 AEFNZBPPIVSZQC-ZYHUDNBSSA-N 287.375 3.853 30 20 CHED Cc1csc([C@H](C)CNc2cc(C#N)cc(Cl)n2)n1 1120834140 YZIOGFVQRBQFCS-MRVPVSSYSA-N 292.795 3.587 30 20 CHED CCC(C)(C)c1ccc(NC(=O)c2ccc(C#N)n2C)cc1 1128724086 BUOUSVMQRIURRF-UHFFFAOYSA-N 295.386 3.837 30 20 CHED CCSc1ccccc1C(=O)Nc1cc(C#N)cc(C)n1 1129377818 RTNMXVMUXUKRCU-UHFFFAOYSA-N 297.383 3.626 30 20 CHED C=C(Cl)CN(C)CCOc1ccc(C(F)(F)F)cc1 1169262014 SYTXDQAJKHXTJS-UHFFFAOYSA-N 293.716 3.769 30 20 CHED C=C(Br)CN1c2ccccc2SC[C@H]1C 1191811391 JLQKMKQTTWAOFO-SNVBAGLBSA-N 284.222 3.896 30 20 CHED CC(C)(C)ON=Cc1c(F)cccc1Br 1256377326 ZXGLMKXUKBQRKP-UHFFFAOYSA-N 274.133 3.737 30 20 CHED C=CCCOCCN[C@H](c1cccc(C)c1)c1ccccn1 1262202604 XVIVSJTVXBNNAX-LJQANCHMSA-N 296.414 3.662 30 20 CHED C=C(CC)C(=O)Nc1ccc(N(C)C(=O)C(=C)CC)cc1 1263862698 QXNZADVDCZQWMG-UHFFFAOYSA-N 286.375 3.520 30 20 CHED Cc1ccc(C[C@@H]2CCCN([C@@H](C)CCC#N)C2)cc1 1307441353 DGCNNJMDGVGFJV-WMZOPIPTSA-N 270.420 3.942 30 20 CHED Cc1cc(CN2C[C@H](C)c3ccccc32)ccc1C#N 1308827601 QPBHZHCJYLHXMC-AWEZNQCLSA-N 262.356 3.990 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C/c1cccc(O)c1)C2=O 1317752746 QSCBSQDOIPUHJU-RLIURORJSA-N 280.323 3.790 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)OC1CCCCC1 1319827195 XTDLXRVMEZQEHY-ZIAGYGMSSA-N 267.413 3.585 30 20 CHED Fc1ccc(CNN=C/C=C\c2ccc(F)c(F)c2)cc1 1322039774 KDWWHZHFXPMCKO-QUOARBMVSA-N 290.288 3.893 30 20 CHED C[C@H]1CCCC[C@@H]1CCNc1cccc(CC#N)n1 1325709411 BMPKKPJPBHVMHA-UONOGXRCSA-N 257.381 3.776 30 20 CHED C[C@H]1CC/C(=C/c2nnc(-c3ccc(C#N)cc3)o2)C1 1326972189 GSBSQKAETIKPLP-KWJWQAOWSA-N 265.316 3.812 30 20 CHED C=CCC(F)(F)c1nnc(COc2cccc(C)c2)o1 1327009447 YUYYKKLWHMPIAC-UHFFFAOYSA-N 280.274 3.625 30 20 CHED C#CCCOC(=O)N[C@H](C)c1ccccc1C(F)(F)F 1328820220 SDUFEYHTADKNHD-SNVBAGLBSA-N 285.265 3.516 30 20 CHED C=C(C)CCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 1335351196 PBNVUTKJONVCOZ-UHFFFAOYSA-N 262.309 3.506 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H](Cc2ccccc2)C1 1335789202 KYCCFCRBEOEFPN-QGZVFWFLSA-N 271.404 3.824 30 20 CHED C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1ccoc1 1346010971 NMOAKMAPDNJYEA-UKRRQHHQSA-N 283.327 3.971 30 20 CHED CC[C@H](C)[C@@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1348882834 PVQPRTWFKNTLKZ-WDEREUQCSA-N 255.321 3.758 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1coc(C2CCC2)n1 1349863604 MTFUQQLQDKWQAI-CYBMUJFWSA-N 274.364 3.513 30 20 CHED C=C(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 1350388923 QDUPOBMOSCSYPL-QWHCGFSZSA-N 283.293 3.644 30 20 CHED CC(C)N(CC1CC1)C(=O)c1cccc(SCC#N)c1 1354504370 AVFALJGWHJBGTE-UHFFFAOYSA-N 288.416 3.563 30 20 CHED CCC(C)(C)C1CCC(CC(=O)N=C2C[C@@H](C)ON2)CC1 1447234811 URGCMXAJGMKGJF-IYXRBSQSSA-N 294.439 3.858 30 20 CHED CC1(CC(=O)O[C@H]2CCC[C@H](C#N)C2)CCCCC1 1460797626 NQJBKDWJNHRPAY-KBPBESRZSA-N 263.381 3.972 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1464916444 IDIMCGUCTTUGKA-ARFHVFGLSA-N 278.440 3.847 30 20 CHED CCCCN(CCOC)CCC1(C#N)CCCCC1 1473149370 SQHLWHJEOPHBHF-UHFFFAOYSA-N 266.429 3.599 30 20 CHED N#Cc1sccc1C(=O)Nc1ccc(-c2cnco2)cc1 1526007817 NRGZURAQDBVAEZ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCC(C)(C)CC(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1557352663 HJXUPGSJCGWPAY-UHFFFAOYSA-N 284.363 3.508 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC[C@H]1CNc2ccccc21 1575921880 HZKFODWWVJYJNP-KBPBESRZSA-N 271.408 3.504 30 20 CHED CNc1cccc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)c1 1578759889 ASKRGKOFFXFXHE-UHFFFAOYSA-N 299.761 3.530 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc2oc(C(=O)O)cc2c1 1588691341 YNEDDALOEDPRSC-JTQLQIEISA-N 287.315 3.672 30 20 CHED C=CCCC[C@H](Nc1cc(C(=O)O)ncn1)c1ccccc1 1588798641 MMUGGLLDENLEKG-AWEZNQCLSA-N 297.358 3.684 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cc(F)cc(C#N)c1 1626925453 NBPXCKXZSWSBPF-NSHDSACASA-N 277.343 3.740 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1ccccc1CC#N 1633066142 SVXXAHGTSVWVFN-UHFFFAOYSA-N 289.338 3.795 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)Nc1cccc(C#N)n1 1639530833 OJCJRZPHRPUCQK-INIZCTEOSA-N 283.350 3.772 30 20 CHED CC1(C)CCCN(Cc2ccc(F)c3cccnc23)[C@H]1C#N 1645514616 VALYEBBQGCRIEN-INIZCTEOSA-N 297.377 3.888 30 20 CHED CN(c1cccc(C#N)n1)[C@@H]1CCC[C@@H]1C(C)(C)C 1651158733 YPLMSAAENUFSOE-UONOGXRCSA-N 257.381 3.604 30 20 CHED Cc1cc(N2CC(C)(C)c3ccccc32)ncc1C#N 1655736551 YABQLEWDVHRRBV-UHFFFAOYSA-N 263.344 3.691 30 20 CHED CCC[C@@H](NC(=O)Nc1cc(C#N)ccc1C)C1CCC1 1659653754 NEXWGTNPQYFCEY-OAHLLOKOSA-N 285.391 3.957 30 20 CHED CC1(NC(=O)Nc2cc(C#N)ccc2F)CCCCC1 1662504869 IFDXUWSDZKPARX-UHFFFAOYSA-N 275.327 3.542 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)NCC2(C#N)CCC2)CC1 1681626273 NUPAPCXEQUBBMJ-HUUCEWRRSA-N 291.439 3.584 30 20 CHED CC[C@H](C)c1ccc(C=NNc2ccc(C(=O)O)nc2)cc1 1776072932 UWUYVFOWFJIDQQ-LBPRGKRZSA-N 297.358 3.739 30 20 CHED C=C[C@H]1CCCN(c2c(C(=O)O)cnc3c(C)cccc23)C1 1776150410 TYLWWPRWXTVJQO-ZDUSSCGKSA-N 296.370 3.644 30 20 CHED Cc1ccc2c(CC(=O)Nc3cccc(C#N)c3)coc2c1 3524978 CNUSZUKCLUTAHS-UHFFFAOYSA-N 290.322 3.794 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(C#N)c2)o1 19922026 CKTJZUDYOXNFOJ-ABAIWWIYSA-N 252.317 3.887 30 20 CHED Cc1ncc(-c2ccc(NC(=O)C3(C#N)CCCC3)cc2)o1 44845620 QBUSJPMICQSEDQ-UHFFFAOYSA-N 295.342 3.673 30 20 CHED CCN(C(=O)c1ccsc1)[C@H](C)c1ccc(C#N)cc1 45500083 QKZCSWMJEMNWFG-GFCCVEGCSA-N 284.384 3.843 30 20 CHED N#Cc1ccc(CNc2cccc(Cl)c2C#N)cc1 48337155 VSZHDCRICJQJHV-UHFFFAOYSA-N 267.719 3.695 30 20 CHED Cc1ccccc1C(C)(C)C(=O)Nc1cccc(C#N)c1 58610979 MQZFKVZPLLBENN-UHFFFAOYSA-N 278.355 3.783 30 20 CHED C=CCN(CC=C)Cc1ccc(C(F)(F)F)cc1 58918914 JWLRYNAJIUNBPG-UHFFFAOYSA-N 255.283 3.879 30 20 CHED CCOc1cccc(/C=C/C(=O)c2cccc(C#N)c2)c1 59270192 PZHRYEABJREQHH-MDZDMXLPSA-N 277.323 3.853 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccc2[nH]ncc12 69790877 JJRCEWBGYBQARI-UHFFFAOYSA-N 297.402 3.771 30 20 CHED Cc1c(F)cccc1NC(=O)N(C)Cc1cccc(C#N)c1 72605647 YSZRTCVFQNAMSM-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C[C@H]1CSc2ccccc2N1C(=O)c1cccc(C#N)c1 74879016 XWZOSPFKPWULLB-LBPRGKRZSA-N 294.379 3.699 30 20 CHED Cc1cc(CO/N=C/c2ccc(C(C)C)cc2)no1 78534649 COYRAJLNBFHYSO-CXUHLZMHSA-N 258.321 3.657 30 20 CHED Cc1nnc(NCc2csc3ccccc23)c(C#N)c1C 79930450 KHACILWLAXUNDF-UHFFFAOYSA-N 294.383 3.792 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)C(C)C)n1 80460272 NWMLTVICRFYMBS-QWRGUYRKSA-N 264.394 3.735 30 20 CHED C#Cc1cccc(NC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)c1 83544137 LSBDPDOOSVWNED-UNEWFSDZSA-N 282.387 3.853 30 20 CHED CCc1ccc(COc2ccc(C#N)c(F)c2)cc1 83703838 CYKJIOHEEAJQFD-UHFFFAOYSA-N 255.292 3.839 30 20 CHED C#CCCCCN[C@H](C)c1ccc(F)cc1OC(F)F 90399411 COTYJZKPBHVMOK-LLVKDONJSA-N 285.309 3.881 30 20 CHED C[C@@H](CC(=O)NCCCCC#N)Cc1ccc(Cl)cc1 92895862 OIDYVRHERIQTOI-CYBMUJFWSA-N 292.810 3.719 30 20 CHED CCCCC[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 94591745 BGNFRZYEHQPHNI-NSHDSACASA-N 261.325 3.847 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 107240824 AFQGKPKLJLOJHM-YUSALJHKSA-N 297.185 3.515 30 20 CHED CCCCCCCN1Cc2ccccc2[C@H](C(=O)O)C1 116029066 DTJRSLOCUJEMIZ-MRXNPFEDSA-N 275.392 3.641 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC(C)C)c1ccccc1C 119097621 WHLOYNYONPKVSC-INIZCTEOSA-N 274.408 3.910 30 20 CHED Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)ccc1C(F)(F)F 120604222 MKQWMKVWWDRORK-JTQLQIEISA-N 299.296 3.780 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCc1ccccc1C 121738160 GEVOFDOWMCQPDC-UHFFFAOYSA-N 286.419 3.906 30 20 CHED C=CC1CCN(C(=O)[C@H]2C[C@H]2c2sccc2C)CC1 122224495 KOQSLMXHPGLUFU-KGLIPLIRSA-N 275.417 3.585 30 20 CHED CC[C@@H](/N=C/c1cc2ccccc2nc1O)c1ccncc1 125132038 VCWQFFBDJKLGQY-DDLUMYACSA-N 291.354 3.906 30 20 CHED Cn1ncc2c1CC/C(=C\c1cc3ccccc3s1)C2=O 125365295 QCAHMYWUTATXLO-FMIVXFBMSA-N 294.379 3.847 30 20 CHED Cc1ccc(NC(=O)C2(C#N)CC(C)C2)c(Cl)c1 125717594 HITWIBGNKRCZLN-UHFFFAOYSA-N 262.740 3.527 30 20 CHED C=C(C)COCCNCc1ccc(OC)c2ccccc12 125772630 ZDUOYQHMTLVMPT-UHFFFAOYSA-N 285.387 3.531 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(-c2ccccc2)on1 126924430 CPSSBYPMMZEMDN-UHFFFAOYSA-N 283.331 3.548 30 20 CHED Cc1cc(C(=O)N(CC#N)C2CCCC2)c(C)n1C(C)C 128297226 IMWMYQDOBMHGEE-UHFFFAOYSA-N 287.407 3.594 30 20 CHED N#Cc1ccc(NC(=O)NCCC2CCC2)cc1Cl 129534879 UQICQARLOVYLQI-UHFFFAOYSA-N 277.755 3.523 30 20 CHED C[C@H](CC#N)N(C)CCCc1ccc(Cl)cc1 129694083 UWDLWXODOMKIHK-GFCCVEGCSA-N 250.773 3.507 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC/C=C/Cl 131604217 WQIAYZDBYJAAPZ-ZZXKWVIFSA-N 250.729 3.510 30 20 CHED C=CCOc1ccc(CN(CCC#N)C(C)(C)C)cc1 131803984 WYODCUQVVNIXQX-UHFFFAOYSA-N 272.392 3.766 30 20 CHED CCC(N)(CC)CNc1ccc(C(F)(F)F)c(C#N)c1 133502290 BVCWZLIKYHMTSE-UHFFFAOYSA-N 285.313 3.506 30 20 CHED CC(C)(C)CN(CCC#N)CCc1ccccc1F 137589445 MNHOWYFVFHYLCM-UHFFFAOYSA-N 262.372 3.630 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cccc(F)c2)CC1 153027542 RKSDJCYAIFLFMR-CQSZACIVSA-N 276.399 3.517 30 20 CHED C=CCC[C@@H](NC(=O)Nc1cccnc1)c1ccccc1 153295215 PNIVVUPHJNDQTQ-MRXNPFEDSA-N 281.359 3.911 30 20 CHED COc1ccc(C#N)cc1Cn1cnc2cc(C)c(C)cc21 153636292 DLHUNJKKURFCNM-UHFFFAOYSA-N 291.354 3.582 30 20 CHED CCN(Cc1ccc(O[C@H](C)C#N)cc1)C1CCCC1 153670154 DXWKDZFRSPSDOT-CQSZACIVSA-N 272.392 3.742 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(F)c(SC)c1 157220574 WSLJGQALRPQRHW-UHFFFAOYSA-N 267.369 3.586 30 20 CHED C=C(C)CNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 161173467 UVZZMDMXYYHNKK-LLVKDONJSA-N 285.309 3.891 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1sccc1C 161311608 PEKXWWSYSKGWRS-CHWSQXEVSA-N 263.406 3.585 30 20 CHED Cc1nc(COc2cc(Cl)ccc2C#N)sc1C 161652049 VILHPKYTKGTBJN-UHFFFAOYSA-N 278.764 3.864 30 20 CHED CC(C)(NC(=O)c1cccc(CC#N)c1)c1ccc(F)cc1 171259768 BQVCJMMVORRHAV-UHFFFAOYSA-N 296.345 3.557 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1cc(F)ccc1F 171982758 QUHUMSLTMPJLQA-SNVBAGLBSA-N 290.288 3.826 30 20 CHED CCCCCCCCC(=O)N(C)Cc1nccs1 173852048 WOORJZBWIYTQDQ-UHFFFAOYSA-N 268.426 3.852 30 20 CHED C[C@@H](OC(=O)/C=C/c1cccs1)c1ccc(C#N)cc1 175805321 RXYNUGNGXINGKV-IDVQTMNDSA-N 283.352 3.937 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C2CC2)oc2c(C)cccc12 176065198 PEJLEOWRBJPCFJ-CYBMUJFWSA-N 269.300 3.509 30 20 CHED CCCCCc1ccc(NC(=O)N(C)CCC#N)cc1 176545176 HVJHYXXGLFJIRD-UHFFFAOYSA-N 273.380 3.797 30 20 CHED O=C(/C=C/c1cccnc1)c1ccc(F)cc1OC(F)F 176845119 OPNWQWSLUIZDEL-ZZXKWVIFSA-N 293.244 3.718 30 20 CHED Cc1cccc(Cl)c1NCC(=O)Nc1cccc(C#N)c1 176894396 SCVSWXIJGTYVKF-UHFFFAOYSA-N 299.761 3.571 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1ccc(Cl)s1 178941233 HADIUBGJOXCYPP-SNAWJCMRSA-N 288.759 3.945 30 20 CHED CCCCN(CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 179873571 JFHMFMHXENSZSF-UHFFFAOYSA-N 296.418 3.581 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H](C)[C@H](C)CC 180141319 KJGDTOIMMNWETB-ZIAGYGMSSA-N 275.392 3.550 30 20 CHED C=CC[C@H](C)N[C@@H](C)c1ccc(F)cc1N(C)C 180950323 KWXLGSUATPHWLW-RYUDHWBXSA-N 250.361 3.507 30 20 CHED C=C(C)COc1cccc(NC(=O)c2csnc2C)c1 181918121 XWCDYGJBWJBNBT-UHFFFAOYSA-N 288.372 3.659 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(C)c1Br 185489280 WULACIUNHBXYNG-JTQLQIEISA-N 297.196 3.844 30 20 CHED CC(C)Oc1ccccc1N[C@H]1CCC[C@@H](C#N)C1 185729545 ILXFDFMBDLNIAZ-KGLIPLIRSA-N 258.365 3.968 30 20 CHED N#Cc1cccc(COc2cnc3ccccc3c2)c1 187904664 MFGVPQXFSGKEMZ-UHFFFAOYSA-N 260.296 3.685 30 20 CHED C[C@H](Nc1ccc(OC2COC2)cc1)c1cccc(C#N)c1 188656066 VKCBUWIIXIDDFF-ZDUSSCGKSA-N 294.354 3.509 30 20 CHED C[C@@H](SCc1ncc(Cl)n1C)c1cccc(C#N)c1 190805555 WNBLNNXFZZYVJE-SNVBAGLBSA-N 291.807 3.940 30 20 CHED C=CCCCCCSCCC(=O)NC(C)(C)C 192549422 WUHSQFJFWMFILH-UHFFFAOYSA-N 257.443 3.771 30 20 CHED COc1cc(NCc2cccc(C#N)c2)ccc1Cl 193319520 XHZGLYKZGKGFGS-UHFFFAOYSA-N 272.735 3.832 30 20 CHED COc1cccc(C)c1NCc1ccc(C#N)cc1F 194554337 RCPAWYZCGPOTDH-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1cccc2[nH]ccc12 195079237 YAFCSECRYOSOSF-CMDGGOBGSA-N 287.322 3.691 30 20 CHED C=CCC[C@H](C)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 219257234 YKGSDRQOJRTYQB-LSDHHAIUSA-N 296.455 3.720 30 20 CHED C[C@@H]1CCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N 230683617 MEWJCAIUDDJLBG-KOLCDFICSA-N 283.297 3.820 30 20 CHED CCOc1ccccc1NCc1ccc(C#N)c(OC)c1 233775721 IBEMCHAHFKYFSE-UHFFFAOYSA-N 282.343 3.578 30 20 CHED COc1cc(C#N)ccc1OCCCCC(C)(C)C#N 234801755 JRLARNNTXYSRTC-UHFFFAOYSA-N 272.348 3.666 30 20 CHED Cc1ccc(CN(CC#N)C2CCCC2)c(Cl)c1 235860487 TUBIOEBSHJRIAG-UHFFFAOYSA-N 262.784 3.917 30 20 CHED CCCCS[C@H](C)C(=O)Nc1ccc(CC#N)cc1 248151444 HHNBLKVJFMQQPV-GFCCVEGCSA-N 276.405 3.613 30 20 CHED C=C(C)[C@H](NC[C@@H]1CC[C@H](C)O1)c1ccc(F)c(F)c1 249064711 JZNSEERMMGSJSE-RBOXIYTFSA-N 281.346 3.739 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1scnc1C 255060486 APZNMKSSACFVGF-ALCCZGGFSA-N 273.357 3.665 30 20 CHED COc1ccc(/C=C\C(=O)C2CCCCC2)cc1C#N 255309074 YDSRRHBPAFCNSX-CLFYSBASSA-N 269.344 3.729 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cc(C#N)cs2)c1 255386191 QRMMQXIDHYASRR-HYXAFXHYSA-N 269.325 3.530 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C\c1cccnc1 255671267 YRPFEBNEZIZGGN-KHPPLWFESA-N 284.403 3.690 30 20 CHED CCc1ccc(-c2ccc(C(=O)NC3(C#N)CCC3)o2)cc1 266230631 BSJDTRVRISUUMH-UHFFFAOYSA-N 294.354 3.685 30 20 CHED C=C1CCN(Cc2nc3ccccc3n2C(F)F)CC1 266713902 FNOMGPYRGSDWAS-UHFFFAOYSA-N 277.318 3.583 30 20 CHED C[C@H](CN(C)C(=O)c1ccc(CC#N)cc1)c1ccccc1 270313668 RSGNWWHXYMZBAR-OAHLLOKOSA-N 292.382 3.628 30 20 CHED C[C@H](NC1(c2ccccc2)CC1)c1ccc(C#N)cc1 272054495 YLKLZFOIJJIGQH-AWEZNQCLSA-N 262.356 3.898 30 20 CHED CC1(C#N)CCN([C@H]2CCCc3ccc(F)cc32)CC1 272535960 IYKIABIMYAHFEU-INIZCTEOSA-N 272.367 3.829 30 20 CHED CCO[C@H](CCNc1cc(C(C)=O)ccc1C#N)C(C)C 273328896 QSFCRNWIVLBFFM-QGZVFWFLSA-N 288.391 3.624 30 20 CHED C#CCCCN[C@@H](CC)c1nc(C(F)(F)F)cs1 273339670 WHCXEZZDSLODSJ-VIFPVBQESA-N 276.327 3.616 30 20 CHED Cc1cc(C)c2cccc(OC[C@H](C#N)CCC#N)c2n1 276722128 BOGKAEGYRQGRLF-AWEZNQCLSA-N 279.343 3.674 30 20 CHED Cc1nc(-c2ccccc2)sc1NC(=O)CC(C)(C)C#N 278785348 MDRAVMPLQMPCCA-UHFFFAOYSA-N 299.399 3.997 30 20 CHED C#CCCCCC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 279302012 CGSUDZAJNURANZ-HOTGVXAUSA-N 296.414 3.807 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 283987789 MSBQZIXSEGMTAC-UHFFFAOYSA-N 297.742 3.678 30 20 CHED C=CCC[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccco1 285940346 DJCWYWHAQKNJRB-HUUCEWRRSA-N 275.392 3.978 30 20 CHED C[C@H](/N=C/c1cc(Br)ccc1O)C(F)(F)F 287063154 JNEJPBQEBZYGEI-XMQIJBHMSA-N 296.086 3.524 30 20 CHED C[C@@H](Nc1ccnc(C#N)c1)c1cccc(N2CCCC2)c1 287936159 REPKOBCXTJRUBS-CQSZACIVSA-N 292.386 3.727 30 20 CHED CCc1ccc([C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 294189336 AXVDNHSAMDQHGX-KUHUBIRLSA-N 296.414 3.900 30 20 CHED N#C[C@@]1(C(=O)N[C@@H]2CCCc3ccccc32)CC12CCCC2 294248861 FMXGNOARWCAANO-VQIMIIECSA-N 294.398 3.654 30 20 CHED CCOc1ccccc1CCNc1ccc(C#N)cc1 301144344 FIMHTNPQKDVJIN-UHFFFAOYSA-N 266.344 3.612 30 20 CHED CN(Cc1nc(C(F)(F)F)cs1)c1ccc(C#N)cc1 301450644 TZNGSPIZLPUIQA-UHFFFAOYSA-N 297.305 3.670 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)Nc1ncccc1C#N 301465687 XDTDLTWQVBVVBC-INIZCTEOSA-N 283.350 3.772 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]23)cc1Cl 301671135 QJMSTTMXUISMOB-NWANDNLSSA-N 276.767 3.581 30 20 CHED CCC(C)(C)C1CCC(Nc2ccc(C#N)nn2)CC1 301947404 XXKSVFHLVXPDEM-UHFFFAOYSA-N 272.396 3.755 30 20 CHED COc1ccc(CNc2cc(C(C)=O)ccc2C#N)cc1F 302082728 CVBCLNJNOPKSTQ-UHFFFAOYSA-N 298.317 3.521 30 20 CHED C#Cc1cc(F)c(NC/C(Cl)=C/Cl)c(F)c1 309622332 HXKGRRVAUVEXPU-YVMONPNESA-N 262.086 3.677 30 20 CHED OC(=Nc1nncn1C1CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329106493 HMIUOXFNGGZVGN-RWMBFGLXSA-N 288.395 3.808 30 20 CHED Cn1c(N=C(O)[C@H]2CCCCC2(C)C)nc2cccnc21 329251768 BPBWPNJQCYRLOW-LLVKDONJSA-N 286.379 3.773 30 20 CHED Cc1nnccc1N=C(O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 329459098 RHEIPXNUGJLPBY-NXEZZACHSA-N 287.285 3.742 30 20 CHED CCOc1ccc(OC)cc1N=C(O)N1CCC[C@@H]1CC 330632450 IDGJOPMHLDTCLQ-LBPRGKRZSA-N 292.379 3.514 30 20 CHED COCc1nc(C)c(/C(O)=N/[C@@H]2CC[C@H](C)[C@H](C)C2)s1 330870140 TWVVPGXRZNTRNO-HOSYDEDBSA-N 296.436 3.727 30 20 CHED C[C@@H]1CCN([C@@H](C(=N)O)c2ccc(C#N)cc2)C[C@@H](C)C1 332234115 QEWSCCUGCUZPGN-DVOMOZLQSA-N 285.391 3.503 30 20 CHED COc1ccc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 334166919 AHLKALJMIIQEPJ-WMLDXEAASA-N 284.403 3.567 30 20 CHED C=C1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 334427528 XDMBVEOUKBTAPC-NSHDSACASA-N 275.377 3.511 30 20 CHED CC1(C#N)CCC(N2CCC[C@]3(CCSC3)C2)CC1 334670976 MCLDTWARNJEDTH-GPANFISMSA-N 278.465 3.678 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCCN2 334862168 QFNDQYDJUVTCDR-HNNXBMFYSA-N 285.391 3.617 30 20 CHED N#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2c2ccccc23)s1 335067546 DDXHLLVLPCFRQY-ABAIWWIYSA-N 294.379 3.694 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CC=CCC1 335192153 KTWQMMGDZVGBFV-LLVKDONJSA-N 274.751 3.701 30 20 CHED C=CCCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 338619215 VHNLKLJOVZEBAJ-ZDUSSCGKSA-N 251.757 3.874 30 20 CHED Cc1cc(Br)cnc1NCC(C)(C)CCC#N 340924268 CIDFRHXJSFMOOR-UHFFFAOYSA-N 296.212 3.894 30 20 CHED Cc1ccc(CN(C)Cc2cccc(C#N)c2F)s1 340943643 UJKFQSRKCFGJQW-UHFFFAOYSA-N 274.364 3.699 30 20 CHED C=CCC[C@@H](NCCCN1CCCC1)c1ccccc1 341931396 OPKKNOCOXIZXHB-GOSISDBHSA-N 272.436 3.769 30 20 CHED CCCc1cc(C(=O)N(C)C2(C#N)CCC2)sc1C 342125221 IVNQAZGEDXQVRF-UHFFFAOYSA-N 276.405 3.527 30 20 CHED C=CCCC(=O)CSc1nccn1Cc1ccccc1 342706325 CFJYIEMIFLTBOC-UHFFFAOYSA-N 286.400 3.559 30 20 CHED C=CCCOCCCCC(=O)N(CC)c1nc(C)cs1 342866603 GDKHVHNPBJVNFT-UHFFFAOYSA-N 296.436 3.567 30 20 CHED Cc1ccnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)c1C#N 343504769 CHNMVNQRVPAEPH-NSHDSACASA-N 287.313 3.737 30 20 CHED CCN(CC)c1ccc(NCc2ccc(C#N)cc2F)cn1 344850140 IGYVWQLRWUECJW-UHFFFAOYSA-N 298.365 3.551 30 20 CHED C=C(CNC(=O)c1ccc(SCC)nc1)c1ccccc1 345743739 DOIBYZBBHXHDHB-UHFFFAOYSA-N 298.411 3.637 30 20 CHED C[C@H](C#N)C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 347058901 CGQSMLOYGHIQSJ-SECBINFHSA-N 297.339 3.654 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H]2C[C@H]3CC[C@H]2C3)c1 347430268 NJEJJYJOUIDUBL-DUVNUKRYSA-N 268.360 3.609 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2CC2(C#N)CC2)c1 347485181 RLGHRLMTDCRSGS-INIZCTEOSA-N 254.377 3.744 30 20 CHED Cc1c([C@H](C)NCC2(C#N)CC2)oc2ccccc12 348006419 NCIQAVNOTSBLCW-LBPRGKRZSA-N 254.333 3.696 30 20 CHED CCSCC[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 353259378 SFOLNZFKOCBOHB-LRDDRELGSA-N 274.433 3.667 30 20 CHED C=CCCC1(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)CC1 355471090 WKZRXQFMHZMSHC-UHFFFAOYSA-N 281.359 3.762 30 20 CHED N#Cc1csc(CNC[C@@H]2CCC3(CCCCC3)O2)c1 359821865 XGVHNQCULDOZKS-AWEZNQCLSA-N 290.432 3.591 30 20 CHED C=CCCC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C 374258966 QPWURLHXJBGCBT-HOCLYGCPSA-N 257.377 3.747 30 20 CHED C=CCCCCN[C@H](C)c1ccc(OC)c(OC)c1 389225247 XQUJGEHQLAPOAX-CYBMUJFWSA-N 263.381 3.711 30 20 CHED C[C@H]1CSC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 397822573 KKXPXGNMIDOITR-QPUJVOFHSA-N 286.322 3.740 30 20 CHED CC1(C)CC[C@H](CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)O1 409447215 XJKZELJCBUBXDQ-KZNAEPCWSA-N 298.430 3.716 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(Cl)c1C 410138987 WEXKXECDYBMQLM-NSHDSACASA-N 251.757 3.733 30 20 CHED C=C(C)[C@H](CC(=O)NCC[C@H](C)c1ccccc1)OCC 410219306 WKBXSPHDERKFAN-RDJZCZTQSA-N 289.419 3.668 30 20 CHED N#CCCN[C@@H](Cc1ccccc1)c1cccs1 411516169 JHWGGQUBDGQWCI-AWEZNQCLSA-N 256.374 3.535 30 20 CHED C=C(CC)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 412010691 ITHDKABVYSDUKN-KRWDZBQOSA-N 271.404 3.806 30 20 CHED C=CCn1cc(CN[C@H](C)c2cc3ccccc3s2)nn1 424297885 RGLWWOYOLHHYFX-GFCCVEGCSA-N 298.415 3.530 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(F)c(F)cc1F 424652943 XFCUHOGRBLSQHA-UHFFFAOYSA-N 257.255 3.645 30 20 CHED Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C)ccc(C#N)c1C#N 425622546 NXSIBVBNNCVANC-SMDDNHRTSA-N 281.359 3.503 30 20 CHED CCc1ccccc1CNC(=O)Nc1ccc(F)cc1C#N 435156284 WEPNZDMNBYGCHK-UHFFFAOYSA-N 297.333 3.581 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCc1ccsc1 436314807 ZIAYRLSPBITJGU-KBMXLJTQSA-N 279.449 3.640 30 20 CHED N#CCN(Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 437689075 RYYGWNHDDLKBQW-UHFFFAOYSA-N 288.700 3.847 30 20 CHED C=CCCC[C@H](C)NC(=O)C1(Oc2ccccc2F)CC1 441290737 PTZIRQWOACIHAS-ZDUSSCGKSA-N 291.366 3.598 30 20 CHED N#Cc1ccc(OCCNc2ccc3ccoc3c2)cc1 442875463 WCHUZQKJERNMCX-UHFFFAOYSA-N 278.311 3.795 30 20 CHED C[C@@H](N=c1ccc(C(F)(F)F)c(C#N)[nH]1)c1ccccc1 443411917 YISOZIRYDRWBCC-SNVBAGLBSA-N 291.276 3.567 30 20 CHED C=CCN(C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1)C1CC1 446632673 VDAKHMMABJIVQW-IRXDYDNUSA-N 298.430 3.758 30 20 CHED CC1(C#N)CCC(NCc2ccccc2OC(F)F)CC1 449076727 XTVAHRQNAKYEFB-UHFFFAOYSA-N 294.345 3.850 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 449177069 ORXWLVPWMAUHQY-CYJAXWMASA-N 285.497 3.791 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc2c1oc(=O)n2C 449216512 STKMRNLANKWLRR-GFCCVEGCSA-N 274.364 3.678 30 20 CHED C=C(CC)CNCc1cccc(OCC)c1OC(F)F 449729654 BFONXIFHBOCXBI-UHFFFAOYSA-N 285.334 3.743 30 20 CHED Cc1cc(C#N)cc(NCc2cnc([C@H]3CCCO3)s2)c1 449760430 OOPNYVJWHKBDSF-OAHLLOKOSA-N 299.399 3.787 30 20 CHED N#CC1(CN2CCC[C@H]2/C=C/c2ccccc2)CCC1 450710141 PMCAAABDNMGCIX-FVNWOWOISA-N 266.388 3.858 30 20 CHED COCCN(CCCCC#N)Cc1ccc(F)c(Cl)c1 451972086 FFDLYWITXOEAFG-UHFFFAOYSA-N 298.789 3.621 30 20 CHED C[C@H](CCCc1cccnc1)NCc1ccc(C#N)c(F)c1 453367656 DNTZXEKXXKLQSZ-CQSZACIVSA-N 297.377 3.593 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 454517303 FRQVNMJIPNHSMM-ZUZCIYMTSA-N 294.345 3.606 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 455059476 CRASYGPWCNBRBT-UHFFFAOYSA-N 296.374 3.695 30 20 CHED C=C(CC)CNC(=O)[C@H](C)Sc1ccc(C)cc1 456829640 PAWNSCLMVFLNDM-ZDUSSCGKSA-N 263.406 3.558 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)N(C)CC(C)(C)C#N)CC1 458643364 LNVZLHAEEFZXKT-LSDHHAIUSA-N 293.455 3.782 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccccc1)Cc1ccco1 459076679 MMXTWDXKGWHTQF-UHFFFAOYSA-N 298.386 3.958 30 20 CHED CCSc1cccc(NC(=O)NCC(C)(C)CC#N)c1 459410581 SMAAKMKSLVUVTQ-UHFFFAOYSA-N 291.420 3.860 30 20 CHED CCCCOc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)c(C)c1 460033808 PBVRLDMEBJWOSN-CXAGYDPISA-N 286.375 3.662 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 464750263 LTEWXGGFSLJOQZ-LRDDRELGSA-N 290.382 3.931 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC)c2ccccc12 466527058 DOPHOYSDKVQLOT-ZDUSSCGKSA-N 283.371 3.933 30 20 CHED N#CCSCCCN1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 466731797 STTOGZDGXVAUIB-MWDXBVQZSA-N 292.492 3.924 30 20 CHED Cc1ccc(C#N)cc1OCCN(C)Cc1ccc(F)cc1 468404031 AOTLLJSQSBPXQB-UHFFFAOYSA-N 298.361 3.517 30 20 CHED N#Cc1ccc(SCc2cc(F)ccc2C#N)cc1 468816636 DLEQXIMDTIBWAR-UHFFFAOYSA-N 268.316 3.861 30 20 CHED C=C(C)CN(CC)C(=O)NCC(CC)(CC)CC 469771895 HFIMFRUTVJXEJE-UHFFFAOYSA-N 254.418 3.810 30 20 CHED C=CCCCCNC(=O)c1cc(F)cc(Cl)c1 471709968 WLXWKECHNFIWTQ-UHFFFAOYSA-N 255.720 3.565 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC12CCCC2 474394190 ORDLFHFTAGPDNI-KRWDZBQOSA-N 283.415 3.824 30 20 CHED Cc1ccc([C@@H]2CCN(c3cccc(C#N)n3)C2)c(C)c1 480563153 KIMUFZYXSAVHFQ-OAHLLOKOSA-N 277.371 3.564 30 20 CHED CC(C)(C)CC[C@@H](CO)Nc1ccc(C#N)c(Cl)c1 481063018 UHEFADTZIVCYGS-ZDUSSCGKSA-N 280.799 3.811 30 20 CHED CCCN(CC#N)Cc1cc2c(C)cc(C)cc2[nH]1 481990301 DITAYBMIFXBMHK-UHFFFAOYSA-N 255.365 3.520 30 20 CHED CC#CCCNC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 482643281 RCRBQNXULYXQQV-HNNXBMFYSA-N 292.810 3.750 30 20 CHED N#CCC[C@H](NC/C=C\c1ccncc1)c1ccccc1 487576214 SVVUQXCOQNZDKG-XFHJGTJQSA-N 277.371 3.729 30 20 CHED C=C(CN[C@H](C(=O)OC)c1ccccc1C)c1ccccc1 487860463 UQDFHBBDOZDOHD-SFHVURJKSA-N 295.382 3.512 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3cccc(C)n3)c2c1 488282103 QNVICIWDQBQBHA-UHFFFAOYSA-N 289.338 3.697 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(OCC)c1 488403953 ZAUXJDAUCKHQAB-CQSZACIVSA-N 274.364 3.658 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 488557182 KPTJEHCNDBLAIF-ZDUSSCGKSA-N 272.392 3.502 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(Cl)c1C 488881373 SRERSYPUNDWSRA-LBPRGKRZSA-N 263.768 3.829 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CCOc1cccc(F)c1 490108055 OIIAMXDWGYJLLS-AWEZNQCLSA-N 298.361 3.769 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](c1cccs1)C1CC1 494210610 ABLKCHOPFFKPLJ-UKRRQHHQSA-N 290.432 3.949 30 20 CHED C=CCN(CC=C)C(=O)CCCCc1ccc(C)cc1 497878993 ABKQCWYUZVIETK-UHFFFAOYSA-N 271.404 3.908 30 20 CHED CC#CCCNC(=O)c1cc(C)n(C2CCCCC2)c1C 498602769 LVZYSLUAEPSZNN-UHFFFAOYSA-N 286.419 3.753 30 20 CHED N#Cc1c(F)cccc1NCCCN1CCc2ccccc21 506810312 ZUUXRGCKZNBAQV-UHFFFAOYSA-N 295.361 3.562 30 20 CHED C=C(C)CCc1noc(-c2ccc(C(=O)CC)cc2)n1 508669289 BMSJFTDZRXQFRA-UHFFFAOYSA-N 270.332 3.838 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CC(C)(C)C1 508778340 KNURVXBGECONHE-UHFFFAOYSA-N 298.430 3.979 30 20 CHED C=C(C)CCN1CC[C@H](Oc2ccccc2Cl)C1 508990978 JWMKIZOHANBMFZ-ZDUSSCGKSA-N 265.784 3.759 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)C(C)(F)F 509849032 JMCGTTXMIUNWGG-ZDUSSCGKSA-N 281.346 3.883 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCC(C)(C)C#N 512927765 SPJRGRRMHDXWKD-LLVKDONJSA-N 293.798 3.592 30 20 CHED C=C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 513466629 IFNDVMFJCLVVNB-UHFFFAOYSA-N 255.283 3.857 30 20 CHED CC#CCSCCCCOc1c(OC)cccc1OC 516943050 QJLCSRDVILEZHI-UHFFFAOYSA-N 294.416 3.619 30 20 CHED CN(C)C1(CNc2ccc(C#N)c(Cl)c2)CCCCC1 518350638 WQPMHYJFEVCNNS-UHFFFAOYSA-N 291.826 3.888 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C1(C)CCCC1 520097122 YJXGPPAVRPFQDL-UHFFFAOYSA-N 271.404 3.824 30 20 CHED CC(C)(C)[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 525209192 GMJARDFWYVDXLB-INIZCTEOSA-N 284.403 3.528 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 532695154 AZTYZUPJBBWVQX-CPUCHLNUSA-N 278.440 3.893 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)c1csc2ccccc12 533878078 WNPSGAFQVRWUSS-INIZCTEOSA-N 286.400 3.959 30 20 CHED C=C(CC)CSCC(=O)N[C@@H](C)Cc1ccccc1C 536881883 NXSNEMIQQSEXDM-HNNXBMFYSA-N 291.460 3.742 30 20 CHED CC(C)(C)[C@H](NCC1(C#N)CC1)c1cccc(F)c1 537292225 SOOQRAXFSUDGKF-CQSZACIVSA-N 260.356 3.806 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(C)cc1OC 538286228 DDBYQIJJLLAMCU-CQSZACIVSA-N 290.407 3.548 30 20 CHED C=CCN(C(=O)Nc1ncc(-c2ccccc2)s1)C1CC1 538980226 OASCYXOQYNHYAQ-UHFFFAOYSA-N 299.399 3.992 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CC12CCCCC2 540487078 AKJLOOPTTCDQHK-KBPBESRZSA-N 264.413 3.753 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(Cc1ccccn1)C(C)C 540569092 PVYODUNNUNOTRA-OAHLLOKOSA-N 289.423 3.746 30 20 CHED COc1cccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c1 551551629 CJVOXPHVSCVTLN-CQSZACIVSA-N 292.382 3.907 30 20 CHED CC(C)(C)CCCCC(=O)N(CC#N)C1CCCC1 553027512 BERFQMTVPJSDOP-UHFFFAOYSA-N 264.413 3.888 30 20 CHED C=C[C@H](Cc1nc(CCCCOC)no1)c1ccccc1 558571572 OWUVWSCNPJEEHI-CQSZACIVSA-N 286.375 3.551 30 20 CHED Cc1cc(C(=O)N2CCc3ccc(C#N)cc32)ccc1Cl 559475447 HREILKKLKOSQMR-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CCC1(CC)CN(C(=O)NCC2(C#N)CC2)c2ccccc21 562395896 HWMVOUWZJIQGLN-UHFFFAOYSA-N 297.402 3.578 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)[C@H](C#N)CCc1ccccc1 565364711 DONCPKRCDANUNZ-FZCLSBEQSA-N 298.430 3.700 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(Cl)o2)no1 566587179 HELDWIQURJJRNU-GFCCVEGCSA-N 252.701 3.837 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCC2=CCCCC2)c1 569553165 BGFHAVGSXCKACU-ZWKOTPCHSA-N 294.398 3.668 30 20 CHED N#Cc1cc(Cl)ccc1NCCc1ccccc1O 569634562 ZGCWXTCUMUNNIM-UHFFFAOYSA-N 272.735 3.572 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)C[C@@H]1CC 571809496 NYNHPYRYEUNOMU-HOCLYGCPSA-N 296.418 3.756 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H](C)C2(CCCCC2)C1 571851985 XAVRDCQYPSHPHO-ZDUSSCGKSA-N 299.418 3.627 30 20 CHED COc1ccccc1[C@H](C)NC1(c2cccc(C#N)c2)CC1 573006360 ADHJNUSZODHUEC-AWEZNQCLSA-N 292.382 3.907 30 20 CHED C=CCCCCS(=O)(=O)[C@@H](C)c1ccccc1F 574020908 HHKONIZUVPSCSU-LBPRGKRZSA-N 270.369 3.658 30 20 CHED CC(C)N(C/C=C\c1ccc(F)c(F)c1)CCC#N 575586796 GDKAXLNUXSBOBF-HYXAFXHYSA-N 264.319 3.602 30 20 CHED CCCC[C@@H](C)N(C)c1ccc(Cl)c(C#N)n1 576995610 BDDUMQJKIDNGLU-SNVBAGLBSA-N 251.761 3.622 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 577266218 GRMALSXIIHGHPG-GVDBMIGSSA-N 284.403 3.769 30 20 CHED CCCCc1nc(CSc2cccc(F)c2C#N)no1 582432003 YWOJNCALCSQZTG-UHFFFAOYSA-N 291.351 3.715 30 20 CHED CC[C@@H](CC#N)N[C@@H](CC)c1ccc(F)cc1F 583033031 AWZKRHIWHKCAEC-FZMZJTMJSA-N 252.308 3.698 30 20 CHED C=CCC1(C(=O)NCc2ncc(-c3ccccc3)o2)CCC1 583238261 JPWOQZBLMQFXJE-UHFFFAOYSA-N 296.370 3.704 30 20 CHED Cc1ccccc1C(C)(C)CNC(=O)CCCCCC#N 588337937 YKIILIVHLWNGFW-UHFFFAOYSA-N 286.419 3.863 30 20 CHED FC(F)COCCON=Cc1cccc(Cl)c1Cl 588557461 PIJIQZQGJDHXPJ-UHFFFAOYSA-N 298.116 3.626 30 20 CHED N#CCCCCCc1nc(CC2CCCCC2)no1 589108609 GVYXZJCJMXZBQE-UHFFFAOYSA-N 261.369 3.819 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2ccccc2C#N)n1 590280188 RAULSQOGNFDQOP-KTKRTIGZSA-N 279.343 3.965 30 20 CHED N#CCCC1CCN(c2nc(C3CCCC3)ns2)CC1 591959255 YHOLYJZJKZXGSP-UHFFFAOYSA-N 290.436 3.716 30 20 CHED CC(C)(CC#N)CNC(=O)c1coc2ccc(Cl)cc12 593171997 DFHHOXXPJPAISD-UHFFFAOYSA-N 290.750 3.756 30 20 CHED CCC[C@H](C#N)NC(=O)CCc1c(Cl)cccc1Cl 594002316 RHVHKOQNCUPRMC-SNVBAGLBSA-N 299.201 3.734 30 20 CHED CCCC[C@@H](C)N(C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 594034924 GLBAASCDUWMCAV-LSDHHAIUSA-N 286.419 3.774 30 20 CHED CCC[C@H](NCCc1ccc(C#N)cc1)c1cccnc1 595056745 VQRQFKPCZMVMCP-SFHVURJKSA-N 279.387 3.627 30 20 CHED C[C@H](NCCCC1CCC1)c1ccc(C#N)c(F)c1 595079670 GKFHNQWGQSBYOW-LBPRGKRZSA-N 260.356 3.928 30 20 CHED CN(CCC(C)(C)C#N)c1ccccc1Br 595895551 PDKFWWNHQWNCEC-UHFFFAOYSA-N 281.197 3.825 30 20 CHED N#CC1(Cc2nc([C@@H]3CCCS3)no2)CCCCC1 596588222 WOFCCBUSXSEYIO-NSHDSACASA-N 277.393 3.654 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)CC1(C#N)CCCCC1)CC2 597166768 QDAPAEKTWNOWFO-KRWDZBQOSA-N 296.414 3.963 30 20 CHED CCCc1cc(C(=O)N(C2CC2)[C@@H](C)C#N)sc1C 598126686 HJICOZWRWVWBDX-JTQLQIEISA-N 276.405 3.526 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)c2cc(C(C)C)oc2C)n1 598859872 ZAXJQDFYQXCDCE-UHFFFAOYSA-N 297.358 3.847 30 20 CHED CCSc1ccc(CN(C)CC#N)c(Br)c1 599280753 KXUMEGRSYIDYOB-UHFFFAOYSA-N 299.237 3.516 30 20 CHED Cc1cc(C)cc(-c2nnc(S[C@H](C#N)C3CC3)o2)c1 601072818 UOZOGTCNNHEGQJ-CYBMUJFWSA-N 285.372 3.748 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(C2(C#N)CC3(CC3)C2)n1 601361786 FSMWCNXEEMAMHG-VXGBXAGGSA-N 271.364 3.699 30 20 CHED C[C@H](CCC#N)CN1CCC(CCCN2CCCC2)CC1 602480861 ZOKZQJICLUWVBT-QGZVFWFLSA-N 291.483 3.514 30 20 CHED C[C@@H](CCC#N)CNCC(C)(C)N[C@@H](C)c1ccccc1 602545392 NMEWPRPGTMQUGM-HOTGVXAUSA-N 287.451 3.645 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CCCC(C)(C)C1 602679856 AVPUFRJUVGUNOY-HOTGVXAUSA-N 292.467 3.891 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCC(C)(F)F 603737818 VBCNPCDUWFSVRU-UHFFFAOYSA-N 294.345 3.731 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(OCC(C)C)c1 604905476 ADXDLXCKXVUUSV-ZDUSSCGKSA-N 276.380 3.808 30 20 CHED C=CCCCCCN(C)CC(=O)N(C1CCCC1)C1CC1 606902730 YHTNSTHOLNCYIV-UHFFFAOYSA-N 292.467 3.598 30 20 CHED C[C@@](C#N)(NC(=O)c1cccc(Cl)c1)C1CCCCC1 609640759 NFQSQXSBOFRGJA-INIZCTEOSA-N 290.794 3.932 30 20 CHED N#Cc1ccccc1CN1CCS[C@@H](c2ccccc2)C1 609800524 LGYSZLBXDFJTRY-GOSISDBHSA-N 294.423 3.848 30 20 CHED C=CCCCS[C@@H]1CCCN(c2ccccc2)C1=O 609805107 PXCSAJJSLHRBDX-OAHLLOKOSA-N 275.417 3.881 30 20 CHED CC(C)(C#N)CNC(=O)CCCc1ccc2ccccc2c1 611694442 OJMWIGNCSJDXSG-UHFFFAOYSA-N 294.398 3.828 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccccc1C 614397182 ZITZZHGXSXLPPT-VNQPRFMTSA-N 257.377 3.569 30 20 CHED C[C@H](Cc1cccc(C(F)(F)F)c1)NCC(C)(C)C#N 619612194 CREWESCEUYVJPX-LLVKDONJSA-N 284.325 3.776 30 20 CHED C[C@H](NC(=O)N[C@H](C)c1ccsc1)c1ccc(C#N)cc1 619756740 PDIZRNVZOPHMRO-NWDGAFQWSA-N 299.399 3.741 30 20 CHED C=CCCCCN[C@@H](c1cccs1)C1(CO)CCC1 650323830 RMGJDZUREYEABL-HNNXBMFYSA-N 279.449 3.898 30 20 CHED C=CCCNC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 660574208 LSALRMVIXGCRHY-HNNXBMFYSA-N 276.355 3.542 30 20 CHED C=CCCNC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 665940463 CKPDVFOBCGIHGW-CQSZACIVSA-N 264.413 3.563 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cnc3c(c2)CCCC3)C1 666634261 IZCLVEUUGUDOIW-CQSZACIVSA-N 299.418 3.780 30 20 CHED C=C(C)CCc1noc(CNc2ccccc2Cl)n1 671671067 LQHBQXASPCRQIU-UHFFFAOYSA-N 277.755 3.844 30 20 CHED C=C(C)CCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 681404810 JGHKBPNQSOGPCM-RKDXNWHRSA-N 275.236 3.625 30 20 CHED C#C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)C(C)(C)C 705303709 CDZZPTQHOLGJKI-ZDUSSCGKSA-N 298.213 3.700 30 20 CHED CC(=NNc1cccc2cnccc12)c1cc(F)ccc1O 728432402 SQABSDUMACROHO-UHFFFAOYSA-N 295.317 3.916 30 20 CHED CCC/C=C\C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 729349630 OLWIQSBVHIHJAW-SREVYHEPSA-N 284.403 3.899 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)O)cc1)C2 730948306 CHGWXJFQROEJLV-OQLLNIDSSA-N 278.307 3.516 30 20 CHED Cc1ccc(C=NNCc2cc(F)ccc2F)cc1F 731486887 XZGZHGNZDOAQOO-UHFFFAOYSA-N 278.277 3.536 30 20 CHED C#CCOc1ccc(CN[C@H](CC)Cc2ccccc2)cc1 733327059 MMDBCOXERMTBPL-LJQANCHMSA-N 293.410 3.810 30 20 CHED C[C@@H](CC(=O)O[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 733522610 LCNHRXBBOSXRIC-VHSXEESVSA-N 285.265 3.654 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccccc1N(C)c1ccccc1 733709525 GLAPKIVBKWNZBW-AWEZNQCLSA-N 294.354 3.913 30 20 CHED C[C@H](CC(=O)OCc1cccc(C#N)c1)c1cccc(F)c1 734905966 UXIOZNXUPAIMAE-CYBMUJFWSA-N 297.329 3.934 30 20 CHED C=CC[C@H](C)NC(=O)/C=C\c1ccccc1O[C@@H](C)CC 735068150 UDNUOTVAKMJKDS-WNOHDGRVSA-N 287.403 3.958 30 20 CHED CC(CCC1CCCC1)=NNc1ccc(-c2nn[nH]n2)cc1 735987482 ZPVMQQQHQQOSTA-UHFFFAOYSA-N 298.394 3.625 30 20 CHED COc1cccc2cc(/C=C\C(=O)c3cncc(F)c3)oc12 737446557 VRGKLTLKHLDKOK-WAYWQWQTSA-N 297.285 3.872 30 20 CHED Cc1ncsc1/C=C/C(=O)c1cn(C)c2ccccc12 742434238 GHBLKGJDRVYVSZ-BQYQJAHWSA-N 282.368 3.839 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cnn(C(C)(C)C)c1 743450391 JYYNPZVIPBMABN-CQSZACIVSA-N 278.444 3.921 30 20 CHED Fc1ccc(/C=C/C=NNc2ncnc3sccc23)cc1 747754881 HOPQHLGRNZLLLC-UBBVTSNOSA-N 298.346 3.942 30 20 CHED Cc1cscc1NC(=O)/C=C\c1ccccc1C#N 748088702 NCXPPLKYPQHSER-SREVYHEPSA-N 268.341 3.580 30 20 CHED CCC[C@@H](C)OC(=O)c1cc2ccccc2n1CC#N 748124742 KAERMCBGFQHECJ-GFCCVEGCSA-N 270.332 3.510 30 20 CHED N#Cc1csc(/C=C\C(=O)c2ccc3c(c2)COC3)c1 748441276 WAMBXOXQNAJQAH-ARJAWSKDSA-N 281.336 3.546 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(C#N)s1 749006641 ZLUJQXZEAIEEDV-SNAWJCMRSA-N 259.355 3.886 30 20 CHED CC(C)CON=Cc1cc2ccccc2nc1Cl 749636448 KKFVMACBTWIBOJ-UHFFFAOYSA-N 262.740 3.895 30 20 CHED COCCON=C1C[C@H](C)C[C@@H](c2ccccc2)C1 749861048 AHCBAXXIZWQABF-UKRRQHHQSA-N 261.365 3.609 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1ccc(O)cc1 750946633 XZTULVDUULFBKQ-UHFFFAOYSA-N 270.332 3.627 30 20 CHED C#CCOc1ccc(F)cc1NCCCCC(F)(F)F 751560382 LKCUEXHHUYKWNY-UHFFFAOYSA-N 289.272 3.982 30 20 CHED CCC/C=C\C(=O)OCc1ccc(C#N)cc1OC(F)F 752541464 PSZVJJXWUKLTIV-PLNGDYQASA-N 295.285 3.559 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H]1C[C@H](C)O 752642681 WEACAUNSRQETSS-HOTGVXAUSA-N 298.471 3.682 30 20 CHED CN(Cn1ccc(-c2ccsc2)n1)c1ccc(C#N)cc1 754759938 WIQPCUYNJTYBJS-UHFFFAOYSA-N 294.383 3.577 30 20 CHED CCCCCCCCNC(=O)NC[C@@H]1CC1(Cl)Cl 754841344 GOKLQXBGQIFIDV-NSHDSACASA-N 295.254 3.840 30 20 CHED CCCCCCCCNC(=O)NCC1CCSCC1 754866409 UYXRVEPORUIZEF-UHFFFAOYSA-N 286.485 3.789 30 20 CHED CCc1nn(C)c(CC)c1C=NNc1cc(C)cc(C)c1 755566200 VBJJKCPKUIBFEU-UHFFFAOYSA-N 284.407 3.608 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cc1)c1nccn1C 755805149 RTGYNBMGEDMHSN-UHFFFAOYSA-N 296.296 3.665 30 20 CHED C=CCCN1CCCCC[C@H]1C[C@H](O)c1ccccc1 755981989 VRLPCYVRGCSMLT-ROUUACIJSA-N 273.420 3.931 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)Cc1ccco1)c1ccccc1 758378354 IDSRMOZCVJUXAD-HUUCEWRRSA-N 283.371 3.687 30 20 CHED C#CCCCC(=O)O[C@H](C)C(=O)c1ccc(C(C)C)cc1 759190993 DQHPTGPAGLOREG-CQSZACIVSA-N 286.371 3.728 30 20 CHED CCCCC(=NNc1ncc(F)cn1)c1ccccc1 760264607 DHKKYIHPMOURAU-UHFFFAOYSA-N 272.327 3.622 30 20 CHED Cc1sc(/C=C\c2cccc(OCC#N)c2)cc1C=O 760266404 UIFYLGQGXUYYOS-WAYWQWQTSA-N 283.352 3.942 30 20 CHED C=CCCC(=O)COC(=O)C(CC)(CC)c1ccccc1 761412211 MWJBSXYKCFNBSI-UHFFFAOYSA-N 288.387 3.823 30 20 CHED N#CC1(OC(=O)c2cccc(OC3CCCC3)c2)CCC1 762094285 LEZQLFXSLQJZLY-UHFFFAOYSA-N 285.343 3.611 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc(F)cc1F 764431725 GPFATDCVPVUBMF-SNAWJCMRSA-N 280.295 3.931 30 20 CHED C=CCCS(=O)(=O)Oc1ccc(Cl)c2ccccc12 765151848 PMIIAUDGBJVOIL-UHFFFAOYSA-N 296.775 3.778 30 20 CHED C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)OCCCCC(C)(C)C#N 768718336 KMRMKLFCNOTQJN-QLFBSQMISA-N 294.439 3.511 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(O)c(Cl)c1 768769862 XWCKMNOQSSQYHQ-UHFFFAOYSA-N 296.157 3.930 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)OCCCCC(C)(C)C#N 768850155 YGIBQJBCJQVTIJ-CHWSQXEVSA-N 253.386 3.932 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 772804821 YNCUERBBRMNZCV-VOTSOKGWSA-N 296.257 3.502 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cscc1Cl 773158296 ATRQKEBCMJGHQF-WCIBSUBMSA-N 286.743 3.766 30 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CHED Fc1ccc(CNN=Cc2ccc3cnccc3c2)cc1F 782201858 BEZLHJLZPWCBCZ-UHFFFAOYSA-N 297.308 3.637 30 20 CHED CCOc1ccc(/C=C\C(=O)c2cncc(C)c2)cc1F 782351846 NWHRJMNQVZWQNP-XQRVVYSFSA-N 285.318 3.824 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCCCc1cccc(F)c1 782450469 VQWYHIUKLFJQCH-QGZVFWFLSA-N 294.366 3.530 30 20 CHED C[C@H](NC(=O)CCCc1ccsc1)c1ccc(C#N)cc1 783037670 FLKOPEZCMPUZIO-ZDUSSCGKSA-N 298.411 3.820 30 20 CHED N#Cc1ccc(CSC(=S)N2CCCC2)c(Cl)c1 783982926 RXHWFCFLKFOXSI-UHFFFAOYSA-N 296.848 3.826 30 20 CHED CCC/C=C/C(=O)OCc1ccc(C#N)cc1Cl 784209818 SHNSVRJVSKGGPK-SNAWJCMRSA-N 263.724 3.611 30 20 CHED C[C@H]1CC[C@H](C(=O)OCc2ccc(C#N)cc2Cl)C1 784241373 JWLCZSSJOXVMBO-JQWIXIFHSA-N 277.751 3.691 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1cccc(C#N)c1 784873371 JFYNAPNWEIEBMC-LRDDRELGSA-N 257.333 3.765 30 20 CHED c1cnc(NN=C2CCC3(CCCCC3)CC2)nc1 786039216 STQVRDGYNCGQOC-UHFFFAOYSA-N 258.369 3.769 30 20 CHED Brc1ccc(C=NNC2CCCCC2)s1 786043083 HJGCXZWSFUZBKZ-UHFFFAOYSA-N 287.226 3.767 30 20 CHED C#CCC1(C(=O)N2CCC(CC)(CC)C2)CCCCC1 788228883 UCCDPWOHIAKHOD-UHFFFAOYSA-N 275.436 3.999 30 20 CHED CCC[C@@H]1CCCC1=NNc1ccc(C(=O)O)cc1OC 788436617 BQEQCLIAJLBNHR-LLVKDONJSA-N 290.363 3.762 30 20 CHED COc1cc(NN=C(C)c2cnc(C)s2)ccc1Cl 788472532 WLRLLVXFJSONHJ-UHFFFAOYSA-N 295.795 3.950 30 20 CHED C=CCCC(CC)=NNc1ccc2c(=O)[nH]ccc2c1 789073143 DHDFGFVBWFTRPY-UHFFFAOYSA-N 269.348 3.672 30 20 CHED O=c1[nH]ccc2cc(NN=C3CCC34CCCC4)ccc12 789073653 OYYYGZUHHKKHTQ-UHFFFAOYSA-N 281.359 3.650 30 20 CHED C#C[C@H](CCC)/N=C/c1c(O)ccc2ccccc12 790100638 XJNIIGFRBREOKX-CRRKTRLDSA-N 251.329 3.766 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)[C@H]1CCOC1 790202189 OZROVPHLWFZJEX-VIFPVBQESA-N 273.163 3.818 30 20 CHED CCCCCCCCCCNC(=O)c1csc(O)n1 792217193 GHNRBCISTZUDCH-UHFFFAOYSA-N 284.425 3.719 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1CCO[C@H](C)C1 793532568 MQGPBAPELLCUOM-XHSDSOJGSA-N 253.430 3.916 30 20 CHED COC(=O)c1csc(C(=O)/C=C\c2cccc(C)c2)c1 794724723 UJGSDOMDTYKEFR-SREVYHEPSA-N 286.352 3.739 30 20 CHED COCCCON=C(C)CC(C)(C)c1ccccc1 795048665 OWYNVWAKWRUYFS-UHFFFAOYSA-N 263.381 3.783 30 20 CHED CC(C)(C(=O)OCC#Cc1cccc(Cl)c1)C(F)F 795857543 ANFZHHLHBUNWMA-UHFFFAOYSA-N 286.705 3.526 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1ccc(F)cc1C#N 796334457 XIFVFUCQUNMVFS-MRXNPFEDSA-N 277.339 3.957 30 20 CHED N#Cc1ccc(NCCCOc2ccccc2F)cc1 796464466 RBANHKVABXEHEJ-UHFFFAOYSA-N 270.307 3.578 30 20 CHED Cc1ccc(C(C)C)cc1OC(=O)c1ccc(C#N)o1 796733925 YILHUAUHQSCSRW-UHFFFAOYSA-N 269.300 3.802 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNCCC(F)(F)F 797403794 ZIUHRJIYKSNPJD-UWVGGRQHSA-N 250.308 3.731 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1C[C@H](c2ccccc2F)C1 797785003 QNUXJWQKGVONJL-JZONCCDLSA-N 299.345 3.905 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCCCCC 797998219 CKTLRQBZALPJGH-JYJNAYRXSA-N 253.430 3.916 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(Cl)c(F)c2)no1 798229609 AXVOKVURDGIKLN-HYXAFXHYSA-N 265.671 3.672 30 20 CHED C=C(C)COC(=O)c1ccc(Oc2ccccc2)cn1 799550990 AFKGGPXNIADCKZ-UHFFFAOYSA-N 269.300 3.607 30 20 CHED 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3.907 30 20 CHED CN(C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1 821480587 CZLNOZWVHDSXHI-UHFFFAOYSA-N 277.393 3.543 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccncc1 825859036 OVVVONDLONLVCL-ABFRBSLYSA-N 286.419 3.887 30 20 CHED C#Cc1cccc(CN[C@H](C)c2nc3c(s2)CCCC3)c1 834903747 QRYUVMIXXAJXMH-CYBMUJFWSA-N 296.439 3.854 30 20 CHED C[C@H]1CC(=NNc2nc(-c3ccccc3)cs2)[C@H](C)O1 834935918 RLNHUHBTUCZLCV-QWRGUYRKSA-N 287.388 3.775 30 20 CHED CC[C@H](OC(=O)c1ccc(C#N)n1C)c1ccc(C)cc1 835112581 ZOXWVFUNIYLBJS-INIZCTEOSA-N 282.343 3.513 30 20 CHED C=CCC1(C(=O)OCc2cncs2)CCCCC1 839317035 DYSZMQFHIXPPSL-UHFFFAOYSA-N 265.378 3.713 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc(F)n1 842050276 LGSWJQIMRSQZPS-CQSZACIVSA-N 267.307 3.582 30 20 CHED N#CC1(c2ccc(-c3ccc4nonc4c3)s2)CCC1 844232217 MDHVKLVKOVZRMA-UHFFFAOYSA-N 281.340 3.897 30 20 CHED C=C[C@H](C)ON=C(C)c1sc2nc(C)nc(C)c2c1C 844625005 PGJIBJQUVNBMLD-QMMMGPOBSA-N 289.404 3.932 30 20 CHED N#CCCCCCC(=O)NCCC[C@@H]1CC1(Cl)Cl 844957424 LIFJCYLPUDXVQR-LLVKDONJSA-N 291.222 3.551 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)c1ccc2ccncc2c1 845525601 KHXPCHLIDXOHQU-SFHVURJKSA-N 299.370 3.620 30 20 CHED C=C(C)CONC(=O)N(CC)[C@@H](CC)Cc1ccccc1 845602853 VTVFYSHWGGUDIC-INIZCTEOSA-N 290.407 3.547 30 20 CHED COc1ccc(N[C@H]2CCC[C@H](SC)C2)cc1C#N 846749866 LIZAXHDPEXSWFN-JSGCOSHPSA-N 276.405 3.653 30 20 CHED C=CCC[C@H](C)OC(=O)[C@@H](C)Cc1ccc(C#N)cc1 847671884 JZWOPWQOAWOXCE-KBPBESRZSA-N 271.360 3.635 30 20 CHED C=CCN(CC=C)C(=O)COc1c(C)cc(Cl)cc1C 849367503 AFQOHHHQPABGFW-UHFFFAOYSA-N 293.794 3.536 30 20 CHED N#CC1(COC(=O)CC2(C#N)CCCCC2)CCCCC1 850931825 AMZSKIRWEUNVJU-UHFFFAOYSA-N 288.391 3.868 30 20 CHED Cc1oc(C)c(C(=O)O[C@H](C)CC(C)(C)C#N)c1C 851213213 ZCOLWNBKDVVRJJ-SECBINFHSA-N 263.337 3.690 30 20 CHED C=CC(C)(C)CCOC(=O)[C@@H](C)c1c(C)noc1C 851299443 LZTYHRDWNBLQRQ-JTQLQIEISA-N 265.353 3.540 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2c1nc2ccccc2cc1C#N 853964049 GMWDQOOGEUCQCF-SFESLNEESA-N 277.371 3.874 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(CC)[C@@H](C)C#N 856074935 FWZIDXDSWQAKKS-UONOGXRCSA-N 252.402 3.744 30 20 CHED C=CC1CCN(C(=O)/C=C\c2ccc(SC)s2)CC1 859329337 OXLLLULPNWHRTR-XQRVVYSFSA-N 293.457 3.908 30 20 CHED C=CCCC(=O)OCc1nc2cc(C)ccc2s1 859537439 CFVHYWBRQFCARU-UHFFFAOYSA-N 261.346 3.614 30 20 CHED CSc1ccc(/C=C/C(=O)OCCCCC#N)s1 860289917 LBGYJWXZVXSRAQ-FNORWQNLSA-N 281.402 3.720 30 20 CHED COc1nccc2c(NCc3cccc(C#N)c3)cccc12 864014750 WNKOWCUSMYWFHR-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=C(C)COC(=O)C1(c2cccc(Cl)c2)CCC1 875611693 PGZQUTHDXAZXLV-UHFFFAOYSA-N 264.752 3.881 30 20 CHED C=CCCC[C@H](N[C@H]1CCn2ccnc2C1)c1ccccc1 883217243 DZEWDNZTJHXNEM-ROUUACIJSA-N 295.430 3.885 30 20 CHED C=C1CCC(C(=O)Oc2cccc(NC(=O)C3CC3)c2)CC1 888269102 QEXWKTVNMAJMRJ-UHFFFAOYSA-N 299.370 3.687 30 20 CHED C=CCCCC(=O)Nc1c(Cl)ccc(F)c1C(=O)OC 891236663 DWPHMWOVQWFLIU-UHFFFAOYSA-N 299.729 3.561 30 20 CHED C#Cc1ccc(C(=O)N2CCC(c3ccsc3)CC2)cc1 897441490 VFEMRQHHOIRCGW-UHFFFAOYSA-N 295.407 3.749 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cn(C)nc1C1CC1 899345167 GXGSGLCRRAZMPR-VQHVLOKHSA-N 296.370 3.511 30 20 CHED Cc1c(C(=O)/C=C\c2cccc3c2OCC3)cnn1C(C)C 899369083 QAFNHAOHYOVKPU-FPLPWBNLSA-N 296.370 3.603 30 20 CHED CC(=NNc1cc(Cl)ccc1C)c1cnn(C)c1C 901318558 XFQYMRQHTXWEPJ-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CO[C@@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 901530177 IKNAQDCQECPECM-SSDOTTSWSA-N 261.268 3.662 30 20 CHED N#CC1(CCCCONC(=N)Cc2cccs2)CCC1 902704838 LXRFNTYLSJEUMX-UHFFFAOYSA-N 291.420 3.653 30 20 CHED CC[C@@H](N[C@H](C)Cc1ccncc1)c1cccc(C#N)c1 902831751 DOKGOZGDUKCQIA-RDTXWAMCSA-N 279.387 3.625 30 20 CHED N#CC1(CN[C@@H](c2ccc(F)cc2)c2cccnc2)CCC1 903032261 HXVKQLPMJQCSPG-KRWDZBQOSA-N 295.361 3.594 30 20 CHED CC[C@@H](NCc1cc(OC)ccc1F)c1cccc(C#N)c1 903059121 NEFZURQHNTVGIW-GOSISDBHSA-N 298.361 3.947 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(Br)c(F)c1 903105990 KNAJOGPVCLLFMJ-SECBINFHSA-N 297.171 3.543 30 20 CHED CC(C)[C@H](CCc1ccccc1)NCC1(C#N)CC1 903106024 LIXUQESUVRWXJU-INIZCTEOSA-N 256.393 3.537 30 20 CHED CC(=NNc1ncccn1)c1ccc(OCCC(C)C)cc1 912974251 POGAFBFRAFATQC-UHFFFAOYSA-N 298.390 3.738 30 20 CHED Oc1ccc(/C=N/CCCC2CCCCC2)c(O)c1O 915113561 YVSXWADICVXHBV-GZTJUZNOSA-N 277.364 3.583 30 20 CHED C=CCN(C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C 915153047 BBKCGFSOXJXSER-IXDOHACOSA-N 295.467 3.887 30 20 CHED C=CCOC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 917297102 KCGSFBQDUIUSNA-ZDUSSCGKSA-N 262.349 3.615 30 20 CHED CCCCCCCOC(=O)c1cnn(C)c1C(F)(F)F 918493894 JRHPIVBKZGRPRO-UHFFFAOYSA-N 292.301 3.566 30 20 CHED N#CC1(CCCCN[C@@H]2CCc3ccccc3OC2)CCC1 930346902 BZUHFILEWKPBHO-QGZVFWFLSA-N 298.430 3.834 30 20 CHED CC(C)[C@@H](NCCCCC1(C#N)CCC1)C1(CO)CCC1 930585378 FZGWEWXRDMVKHN-MRXNPFEDSA-N 292.467 3.627 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnn(CC(C)C)c1CC 935097083 OSIPGSQSJVQPGQ-ZDUSSCGKSA-N 277.412 3.642 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(-c2ccnn2C)ccc1C 935800632 RKFYMVVUKHSUFD-AWEZNQCLSA-N 297.402 3.936 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)cc1C)CO2 1115829617 YYDVXPDFLABEJT-DHDCSXOGSA-N 294.350 3.971 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NCc1cccc(OCC#N)c1 1116466994 PEGZLSNTJUVSPV-RHSMWYFYSA-N 286.419 3.893 30 20 CHED N#Cc1sc(NCCCc2ccsc2)nc1Cl 1121001656 DKZRKVIELGGBIY-UHFFFAOYSA-N 283.809 3.774 30 20 CHED N#CC[C@H](C(=O)OC1CCCCC1)c1ccccc1 1124290163 QLPXZYRIPXITTO-HNNXBMFYSA-N 257.333 3.560 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cccc(C3CC3)c2)c1 1132224151 DERXWWIPJNIEJN-UHFFFAOYSA-N 280.302 3.827 30 20 CHED CCCC[C@H](CC)C(=O)Nc1ccc(OC)c(C#N)c1 1132759978 LZQLWNLHABCLSC-LBPRGKRZSA-N 274.364 3.722 30 20 CHED Cc1cc2c(NC(=O)[C@@H]3CCCC[C@@H]3C)n[nH]c2cc1C#N 1164586845 CPDNDXVLIVEXMF-GXFFZTMASA-N 296.374 3.508 30 20 CHED N#Cc1csc(C(=O)Nc2ncc(Cl)cc2Cl)c1 1264313652 BGPAPWAAGGCZOL-UHFFFAOYSA-N 298.154 3.574 30 20 CHED COc1cc(CSc2ccc(C#N)cn2)ccc1C 1307290152 HVEUYJWZNGPADW-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CC(=O)c1c(F)cccc1OCc1cc(F)ccc1C#N 1307395888 NJASGJNTMWVYRC-UHFFFAOYSA-N 287.265 3.618 30 20 CHED Cc1cc(CN[C@@H](C)COc2ccc(F)cc2)ccc1C#N 1308255559 CRBJSTJEBMLNGB-AWEZNQCLSA-N 298.361 3.563 30 20 CHED CCCC(=NNC(=S)NC(C)C)c1ccc(Cl)cc1 1321404718 SFDUMPIDXCDWDH-UHFFFAOYSA-N 297.855 3.717 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)CCCC#N 1324054888 XZXDUPOKWVJLPZ-UHFFFAOYSA-N 250.729 3.589 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc2cccc(Cl)c2o1 1324383273 YXEQHPKGUNGNIR-UHFFFAOYSA-N 287.746 3.572 30 20 CHED CC(C)(CCC#N)CNC(=O)c1[nH]ccc1-c1ccccc1 1324501699 DMCIONYIZUKKGV-UHFFFAOYSA-N 295.386 3.741 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H](C)CCc1ccccc1F 1339198281 VLWBRMPBFKNIBU-DZGCQCFKSA-N 290.382 3.545 30 20 CHED CCc1cccc(N(C)c2nnc([C@@H](C)CCC#N)n2C)c1 1339979076 PBIDPBPVFJNVAD-ZDUSSCGKSA-N 297.406 3.553 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(F)cc(OC)c1 1345265692 VGBCNYJYNDTTOX-AWEZNQCLSA-N 292.354 3.797 30 20 CHED C=C[C@H](C(=O)N[C@H]1CCCC(F)(F)C1)c1ccccc1 1349329923 KFRQRYHRIBBACT-KBPBESRZSA-N 279.330 3.650 30 20 CHED N#Cc1ccsc1NC(=O)Cc1ccc(F)c(Cl)c1 1350578140 QJBQFRQIASALJA-UHFFFAOYSA-N 294.738 3.593 30 20 CHED N#CCc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1 1353513154 FEFOAXARCBSZJY-UHFFFAOYSA-N 276.339 3.882 30 20 CHED C=C(C)CCC(=O)N1CCC2(CCc3ccccc3O2)CC1 1353737083 FRKDRMCFXOEXIB-UHFFFAOYSA-N 299.414 3.729 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@H](C)C(C)(C)C)c1 1466839686 QCBDBEFAFVRMPW-LBPRGKRZSA-N 273.380 3.670 30 20 CHED COc1ccc(Cl)c(CN2CCc3c(C#N)cccc32)c1 1473570146 PVYFDOQDQLGOSA-UHFFFAOYSA-N 298.773 3.783 30 20 CHED N#Cc1csc(CNCc2ccc3occc3c2)c1 1474203752 UTGRSFGSSHJGMW-UHFFFAOYSA-N 268.341 3.656 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(C#N)cc1F 1521748799 WBGCSWDKZGIMRP-TZMCWYRMSA-N 288.366 3.644 30 20 CHED CCCC[C@@H](C(=O)Nc1cc(C#N)cc(C)n1)C(C)C 1544534795 MOMPYZIZALCIHY-CQSZACIVSA-N 273.380 3.663 30 20 CHED CC1CCC(C)(NC(=O)Nc2ccc(C#N)c(F)c2)CC1 1562909105 KEEHEGKXKPPTAZ-UHFFFAOYSA-N 289.354 3.788 30 20 CHED COc1ccccc1[C@H](C)OC(=O)[C@]1(C#N)CC12CCCC2 1584200350 LOXXGPRTNOBTNF-SCLBCKFNSA-N 299.370 3.773 30 20 CHED C#Cc1ccc(NCc2ccc(C(=O)O)cc2)c(Cl)c1 1588438925 KBSCCLOWWPJPRI-UHFFFAOYSA-N 285.730 3.632 30 20 CHED CCCCCCCC[C@@H](C)C(=O)Nc1cc(C(=O)O)no1 1595704632 FGWMNHKAZDYIPG-LLVKDONJSA-N 296.367 3.698 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1nc(C(=O)O)c(C(C)C)s1 1609225906 ATEPWMICBFUNLN-VIFPVBQESA-N 296.392 3.506 30 20 CHED N#Cc1cnnc(Nc2cccc(-c3ccccc3)c2)c1 1612353329 HYHYGMPOSZHYPH-UHFFFAOYSA-N 272.311 3.759 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2Cc1ccc(CC#N)cc1 1615825800 HTKMBUFELNPGLY-OAHLLOKOSA-N 292.382 3.849 30 20 CHED Cc1nnc(NCC[C@H](C)CC(C)(C)C)c(C#N)c1C 1642572215 UTILRERUXLGSEC-NSHDSACASA-N 274.412 3.839 30 20 CHED Cc1ccccc1COC(=O)N1CCCC(C)(C)[C@H]1C#N 1661840301 UGJVHXMXSSQWOU-OAHLLOKOSA-N 286.375 3.646 30 20 CHED CC(C)C[C@@H]1CCCC1=NNc1ccccc1C(=O)O 1776031395 FCHXENBPZCYOBM-LBPRGKRZSA-N 274.364 3.999 30 20 CHED CC[C@@H](C)[C@H]1CCC(=NNc2cccc(C(=O)O)c2)C1 1776037309 YICDTIUFICZMDG-NEPJUHHUSA-N 274.364 3.999 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(F)c(C(=O)O)c2)[C@@H]1C 1776062881 PJCJUKKZEYEYIE-NXEZZACHSA-N 278.327 3.748 30 20 CHED Cc1ccc(C=NNc2ccc(C(=O)O)c(F)c2)c(C)c1 1776073155 GNNGADOMBLLSDC-UHFFFAOYSA-N 286.306 3.587 30 20 CHED Cc1cc(C=NNc2cccc(C(=O)O)c2C)cs1 1776088579 VRMQMQIUVBFUQN-UHFFFAOYSA-N 274.345 3.509 30 20 CHED C=CCSc1nnc(-c2ccc(F)cc2)n1CC=C 4145925 VWPFIDSJFPMDTH-UHFFFAOYSA-N 275.352 3.548 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccc(O)cc1 7915440 QOARLGICTSEREO-RMKNXTFCSA-N 268.312 3.605 30 20 CHED N#Cc1ccccc1OCCOc1ccc(Cl)cc1 11830846 DWTSVARAOYVFIB-UHFFFAOYSA-N 273.719 3.669 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 14178566 QNRUDIPEPZUMBO-IZZDOVSWSA-N 277.323 3.853 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 15302723 UJBQRWOBLWHQNH-UHFFFAOYSA-N 276.339 3.689 30 20 CHED Cc1ccc(NCc2cc(C#N)ccc2F)c(F)c1 20372397 PRIVNDDTFIGRRA-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C#Cc1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1 23010160 GKRIKHZSHFFPBX-UHFFFAOYSA-N 288.306 3.575 30 20 CHED C=CCN(CC=C)C(=O)c1cc2ccccc2c(Cl)n1 37372986 ZXOKQRKXEXURMG-UHFFFAOYSA-N 286.762 3.702 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCOc1ccccc1 45934966 JQUHVMDLBYGBAD-UHFFFAOYSA-N 295.382 3.670 30 20 CHED CCC1CCC(NCc2ccc(OCC#N)cc2)CC1 48327159 VCUXATBPAFZOJP-UHFFFAOYSA-N 272.392 3.647 30 20 CHED CCc1ccccc1CNc1cccc(F)c1C#N 52201012 ISJOUGIHDMTBRW-UHFFFAOYSA-N 254.308 3.872 30 20 CHED C=CCN(C(=O)c1sccc1C)c1ccccc1 57566253 GPELSWFMGNIFPI-UHFFFAOYSA-N 257.358 3.889 30 20 CHED CCC1(C)CCN(c2nc(C)cc(C)c2C#N)CC1 60941584 LWLMFAJLMVXZLY-UHFFFAOYSA-N 257.381 3.587 30 20 CHED C=CCCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 66397580 HDUBLFCOWVVDTG-OAHLLOKOSA-N 270.376 3.631 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 69343652 VAWIYQVKPMDZRX-CHWSQXEVSA-N 295.810 3.841 30 20 CHED Cc1cc([C@H](C)NC(=O)Nc2cc(C#N)ccc2C)c(C)o1 69605668 UOZYKJSZGMMWBR-LBPRGKRZSA-N 297.358 3.959 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc([N+](=O)[O-])cc1 72692679 NAHXOLMPDNCPCY-UHFFFAOYSA-N 289.379 3.747 30 20 CHED COc1ccc2c(c1)OCC[C@H]2Nc1ccc(F)cc1C#N 78380227 SBRINYCDXLSVTP-MRXNPFEDSA-N 298.317 3.642 30 20 CHED Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 79647930 WKIPNTUEFBBWQZ-UHFFFAOYSA-N 282.368 3.598 30 20 CHED CC(C)CC(C)(C)CNC(=O)CCc1ccc(C#N)cc1 81617105 WUZBTZUCHWNIBN-UHFFFAOYSA-N 286.419 3.679 30 20 CHED CCc1cc(Oc2cccc(C#N)n2)ccc1Cl 81621302 CJTOWNAOZUGGRC-UHFFFAOYSA-N 258.708 3.961 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C#N)cs1 84116083 AGHVUOHTUMKJFP-AAEUAGOBSA-N 276.405 3.661 30 20 CHED CC[C@@H](C#N)OC(=O)c1sc2ccc(F)cc2c1C 84707484 QNUGRCNOGGLGBH-JTQLQIEISA-N 277.320 3.808 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 84710379 HMZXGWOBXGHEIE-TZMCWYRMSA-N 289.375 3.597 30 20 CHED C=C(C)COCCN[C@@H](c1ccc(C)cc1)C1CC1 91397664 JNWDGMZLUPAQSS-KRWDZBQOSA-N 259.393 3.628 30 20 CHED C=CCN(Cc1ccsc1)Cc1cccc(C#N)c1 92504602 JOBSWXLWDVVKSK-UHFFFAOYSA-N 268.385 3.808 30 20 CHED Cc1cc(C#N)ccc1Oc1nc(C(C)C)ns1 92640477 DLTCRLWWUNCGBV-UHFFFAOYSA-N 259.334 3.634 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 92895569 YSVIIWBKCUFNCB-OLZOCXBDSA-N 292.810 3.669 30 20 CHED CN(CCCCC#N)CCCc1cc(-c2ccccc2)n[nH]1 102400645 HNYKUPQMHPWXQU-UHFFFAOYSA-N 296.418 3.635 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)c2ccc(C)cc2)CC1 111460516 ZWUVFECJTUEDII-CQSZACIVSA-N 272.392 3.664 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H]([C@H](C)N)C1 115859416 NFMWRCXYZDCHBD-HOTGVXAUSA-N 282.472 3.713 30 20 CHED Cc1nc(CC/N=C/c2cc(Cl)ccc2O)sc1C 121536484 LYNZXVBYOZTIKP-LZYBPNLTSA-N 294.807 3.781 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)C1 122417513 SPUAFYBHKQFJSS-IIAWOOMASA-N 298.386 3.550 30 20 CHED C=CCCS(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 123054198 MBESJMJFBJFVEB-UHFFFAOYSA-N 299.395 3.576 30 20 CHED COc1ccnc(CS[C@H](C)c2ccc(C#N)cc2)c1 127563762 QRXZPRULZQRFPW-GFCCVEGCSA-N 284.384 3.956 30 20 CHED CCN(CC#N)C(=O)Cc1cc2c(ccc3ccccc32)o1 128056938 DYGJPPOIVOJTMC-UHFFFAOYSA-N 292.338 3.501 30 20 CHED CC[C@H]1CCCN(Cc2cc(C#N)ccc2OC)CC1 130472103 KDIJRUQANHBDAK-AWEZNQCLSA-N 272.392 3.579 30 20 CHED CCC1(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CCC1 133737890 CZOQQMGHLFDVHZ-INIZCTEOSA-N 299.418 3.911 30 20 CHED CC(C)(CCC#N)CNCc1ccc(Br)cc1 135164306 QXHQGGIASHCRSN-UHFFFAOYSA-N 295.224 3.869 30 20 CHED C=C(Cl)C[S@@](=O)[C@H](C)c1cccc(Cl)c1 150900088 AJSNCZWQHBAYOK-PSLIRLAXSA-N 263.189 3.902 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H](SCC)C1 151256865 LGIFSPKQVBOSIJ-LSDHHAIUSA-N 281.465 3.935 30 20 CHED N#Cc1cc(Cl)ccc1NCC1(CO)CCCCC1 157366235 ZHMZEKSZYJTHCK-UHFFFAOYSA-N 278.783 3.566 30 20 CHED N#Cc1ccc(CNc2cccc(CN3CCCC3)c2)s1 157451702 SFSAHRLSHHUNST-UHFFFAOYSA-N 297.427 3.828 30 20 CHED CC(C)CC[C@@H]1CCCCN1CCCSCC#N 158115085 WMISGNALYYOIFF-HNNXBMFYSA-N 268.470 3.924 30 20 CHED N#CC1(c2ccccc2)CC(N[C@@H]2CCCc3occc32)C1 158453483 XIPULPSSHRAWOM-URSIVYNOSA-N 292.382 3.871 30 20 CHED N#Cc1ccc(NCC2CCSCC2)cc1Cl 158623038 FQSFKSYKORZSNW-UHFFFAOYSA-N 266.797 3.767 30 20 CHED N#CCOc1ccc(NCc2cc(F)cc(Cl)c2)cc1 160815851 XGFZLBDCCMNPJL-UHFFFAOYSA-N 290.725 3.994 30 20 CHED CC(C)Sc1ccccc1NC(=O)N[C@@H](C)CC#N 162868878 UGLHFCUVPWCZLK-NSHDSACASA-N 277.393 3.611 30 20 CHED N#Cc1ccc(SCC(F)(F)F)c(Cl)c1 163287522 PWNLNANTJYBITJ-UHFFFAOYSA-N 251.660 3.866 30 20 CHED Cc1cccc(C2(C(=O)OCCCC#N)CCCC2)c1 171287613 WROQDLJMNZUYIH-UHFFFAOYSA-N 271.360 3.654 30 20 CHED N#CCc1ccc(NC(=O)C/C=C/c2ccccc2F)cc1 175049120 LDCAAFKELSRHST-HWKANZROSA-N 294.329 3.934 30 20 CHED C=CCNC(=O)c1ccccc1Oc1ccccc1OCC 175870305 WNWIQPZJASVQRL-UHFFFAOYSA-N 297.354 3.793 30 20 CHED C#CCCCN[C@H](C)[C@@H](C)c1nc2ccccc2s1 178057484 MIGMLHWKHZGVEY-CHWSQXEVSA-N 272.417 3.791 30 20 CHED N#Cc1ccccc1/C=C/C(=O)OCCCCC(F)(F)F 179173483 YQAPIBALKJKAPK-BQYQJAHWSA-N 297.276 3.847 30 20 CHED CCOc1ccccc1[C@@H](CC)NC[C@H](C#N)CCC#N 179734529 ZTMHFSVDRLOXSA-GOEBONIOSA-N 285.391 3.570 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(Oc2ccccc2)o1 180429611 JPDNBTMFNCUQAW-CYBMUJFWSA-N 270.332 3.806 30 20 CHED C[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1Br 181146196 HJODQBNBRIQRKY-GHMZBOCLSA-N 293.208 3.694 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 182371585 MRKPXSXKWIUUCO-NXEZZACHSA-N 276.405 3.729 30 20 CHED C=CCCCC(=O)N[C@H]1CCCOc2cc(F)ccc21 182836579 IXODVYJPKBLLLL-AWEZNQCLSA-N 277.339 3.512 30 20 CHED COCCOc1ccccc1N[C@H](C)c1cccc(C#N)c1 182946552 DDIMEBHYAWTVBL-CQSZACIVSA-N 296.370 3.757 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)cc1C(F)(F)F 185662467 NWHZVBSWPPRONV-UHFFFAOYSA-N 287.256 3.977 30 20 CHED CC(C)(C)NC(=O)c1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 185737890 ONYAQFCFEICJMJ-DZGCQCFKSA-N 299.418 3.709 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H](C)C(C)C)c1ccc(F)c(F)c1 186061079 MNNOYTQCCHPFKK-IAQYHMDHSA-N 281.346 3.990 30 20 CHED C#CCOc1ccccc1NC(=O)CCCCCC 187237103 ATNWBRDKBUJSKT-UHFFFAOYSA-N 259.349 3.608 30 20 CHED Cc1cc(C#N)ccc1C(=O)Nc1ccsc1Cl 187849429 FOYLCXADQLJWKY-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC[C@H](CC#N)N[C@H]1CC[C@@](C)(c2ccccc2)C1 188486575 VJPUSILAFQLTGD-IXDOHACOSA-N 256.393 3.779 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cccc(Cl)c1OCC 188505804 IIFPXZOCQFIXFC-UHFFFAOYSA-N 295.810 3.706 30 20 CHED C=CCC1(C(=O)Nc2ccc3ncsc3c2)CCC1 188725778 CGDFWBKTQLHWAJ-UHFFFAOYSA-N 272.373 3.981 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 189934825 GGLGJLYLJNLHRZ-KRWDZBQOSA-N 286.327 3.609 30 20 CHED Cc1ccccc1C(=O)COc1ccc(C#N)c(Cl)c1 190248230 HZXZNJSSTKFYNN-UHFFFAOYSA-N 285.730 3.782 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](CC)c1ccc(OC)cc1 191810190 CKMZEWUUSBBWQC-NVXWUHKLSA-N 275.392 3.865 30 20 CHED C#CCCCC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 192183965 XKJGCUUAMQSGCV-INIZCTEOSA-N 275.367 3.833 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(Cl)c(F)c1 192481247 GMXBNXBMPBGOOC-UHFFFAOYSA-N 268.719 3.685 30 20 CHED C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 193047174 ZHUCJPMXWQDENZ-LBPRGKRZSA-N 285.391 3.750 30 20 CHED C=CCOc1cccc(/C=C/c2ccc(C#N)cn2)c1 193447444 XAEAZANJTAUGKU-SOFGYWHQSA-N 262.312 3.688 30 20 CHED Cc1ccc(F)c(NC(=O)/C=C\c2ccccc2C#N)c1 213195039 PFJGVJMTIIHPFC-CLFYSBASSA-N 280.302 3.658 30 20 CHED C[C@@H]1CCC[C@H](N[C@H](C)c2ccc(OCC#N)cc2)C1 217996196 WHNYNHLOTWMBKC-FMKPAKJESA-N 272.392 3.818 30 20 CHED CCN(Cc1ccccc1)Cc1cccc(C#N)c1F 219508648 CVNHHGWGBBELNZ-UHFFFAOYSA-N 268.335 3.719 30 20 CHED Cc1ccccc1C(=O)Nc1ccc(C#N)cc1Cl 225785154 PCLIIQWNNCHVGL-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Cc1ccc(C#N)c(Oc2ccc3cccnc3c2)n1 229033671 KUWMEEPEYVRWBL-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CCCCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2)C1(C)C 236853350 TTWSAVNMCMACEO-DLBZAZTESA-N 286.419 3.632 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 246209663 NTLNDSLTEOVRCU-OUAUKWLOSA-N 297.185 3.515 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1F 248906160 UVRWYOKYAXENCF-TUAOUCFPSA-N 264.319 3.698 30 20 CHED Cc1cc(C(=O)/C=C\c2c(C)noc2C)c(C)s1 255570637 CXCQVLYQRXZGRX-WAYWQWQTSA-N 261.346 3.866 30 20 CHED Cc1ncsc1/C=C\C(=O)c1ccc(OC(F)F)cc1 255618692 PKFMAKXZPWTDRN-SREVYHEPSA-N 295.310 3.949 30 20 CHED COCCOc1cccc(/C=C\C(=O)c2occc2C)c1 255629798 VLKGKLMTVQAGGL-SREVYHEPSA-N 286.327 3.509 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(OC)cc2)o1 255714525 AOKJQSKZPAPPJK-POHAHGRESA-N 256.301 3.747 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1ccc(Cl)cc1 255925668 RJBDLPLPIHKLRX-UHFFFAOYSA-N 297.851 3.998 30 20 CHED N#Cc1ccc(F)c(CSCCC(F)(F)F)c1 265902595 VEJQHXZBEZVNMX-UHFFFAOYSA-N 263.259 3.883 30 20 CHED CCCCOc1cccc(NC(=O)N(CC)CCC#N)c1 267467712 SSXDWTWXVPGMJN-UHFFFAOYSA-N 289.379 3.633 30 20 CHED CC(C)N(Cc1cccs1)C(=O)c1cc(C#N)cs1 267594952 BTQOZPZZMAXLSZ-UHFFFAOYSA-N 290.413 3.732 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C=CCC2)c(Cl)c1 269211303 OKNAKAPYUUVGFS-JTQLQIEISA-N 260.724 3.506 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1c1cccs1)OCC 270019788 AILJKUGYXNRLQG-ZIAGYGMSSA-N 293.432 3.783 30 20 CHED C=CC[C@@H](C)NC1CCN(Cc2ccccc2Cl)CC1 272878953 NFNDZRCOHNHOCO-CQSZACIVSA-N 292.854 3.859 30 20 CHED COc1ccccc1C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(C)C 274646663 SCOXWTUUXPIUDV-UAGQMJEPSA-N 286.419 3.544 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)c1ncccc1Cl 278202776 HLUGRAXUOHGISU-GOSISDBHSA-N 284.812 3.563 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)Cc1ccccc1 280693065 BIGSLMIAMPYUIR-KSZLIROESA-N 273.420 3.579 30 20 CHED N#CC1(CCCOc2cccc3cccnc23)CCOCC1 281239226 FYZKFCVSFGPOMJ-UHFFFAOYSA-N 296.370 3.714 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(-c2cc[nH]n2)c1 281900525 ICGFQAWLHOHWTD-CYBMUJFWSA-N 284.363 3.553 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc[nH]c1CC 285636631 XQRGZYHISKYGHK-UHFFFAOYSA-N 295.386 3.501 30 20 CHED CC[C@@H](C)CCC(=O)N[C@@H](CCC#N)c1ccccc1 285664297 DLZQMMNHINIROT-ZBFHGGJFSA-N 272.392 3.974 30 20 CHED CC(C)(C#N)c1ccc(-c2nc(CCC3CC3)no2)cc1 288944843 ARWPKFHRKRXLGM-UHFFFAOYSA-N 281.359 3.880 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(-c3nnco3)cc2)no1 289120691 QGHJHTCTIYYTSY-INIZCTEOSA-N 296.330 3.640 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2nc(C)c(C)[nH]2)cc1 292681685 OXNIZIZWRKRYKS-CQSZACIVSA-N 271.389 3.562 30 20 CHED N#Cc1cccnc1N1CC2(CCC2)[C@H]1c1ccccc1 292975919 HPAIUFLJPLMDHU-MRXNPFEDSA-N 275.355 3.685 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](c1ccccc1)C(F)F 294080861 AYGNFCGRYDKCDV-ZDUSSCGKSA-N 282.334 3.600 30 20 CHED CCOC(=O)c1sc(SCCC(C)(C)C#N)nc1C 295168373 HYVBJFUYNPPPMZ-UHFFFAOYSA-N 298.433 3.660 30 20 CHED Cn1c(Cl)cnc1/C=C1\C(=O)c2ccccc2C1(C)C 295849748 IMAIHHBYGWGUDK-XYOKQWHBSA-N 286.762 3.631 30 20 CHED CC[C@@H](N[C@@H](C)c1cnn(CC)c1)c1ccc(C#N)cc1 295896269 IEIOLVZZHDUHPL-SUMWQHHRSA-N 282.391 3.577 30 20 CHED Cc1cccc2c1N(C(=O)CCCC#N)CC[C@H]2C 297993417 XYXKWAWUORXJAE-GFCCVEGCSA-N 256.349 3.529 30 20 CHED CCO[C@@H](CCNc1ccc(F)cc1C#N)C(C)C 301442799 PLIQCHHTAKUJHT-HNNXBMFYSA-N 264.344 3.560 30 20 CHED C[C@H](C#N)CNc1ccc2cc(Br)ccc2n1 302037575 GFUGVHVHGROFOF-SECBINFHSA-N 290.164 3.569 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc(F)cc1F 302769162 AZPHVWQXQGMCIB-UHFFFAOYSA-N 256.211 3.500 30 20 CHED N#Cc1cc(Sc2cc(Cl)ccc2Cl)ncn1 310070976 ACVHJGUFFJCIOR-UHFFFAOYSA-N 282.155 3.806 30 20 CHED N#Cc1cccc(N=C(O)CN2CCCC23CCCCC3)c1 328803084 BDTWNABIPYVJAP-UHFFFAOYSA-N 297.402 3.945 30 20 CHED CC1(C)CC[C@H](/N=C(/O)Nc2ccc3c(c2)COC3)C1 329060108 JHWGBZYFIVNMNI-AWEZNQCLSA-N 274.364 3.621 30 20 CHED CCCc1nnc(N=C(O)c2cccc3c2CCC3)s1 329101021 ZPIQKKUBANTOLG-UHFFFAOYSA-N 287.388 3.616 30 20 CHED Cc1sc(N=C(O)[C@H]2CCC(=O)C[C@H]2C)c(C#N)c1C 329261615 FWEQVUGZDYSTTL-PELKAZGASA-N 290.388 3.830 30 20 CHED CC1(C)CCC[C@@H]1C/N=C(/O)[C@H]1CCC(=O)c2cccn21 329338660 QREXVTQMBJSVLG-TZMCWYRMSA-N 288.391 3.789 30 20 CHED OC(=Nc1nc(C(F)(F)F)cs1)[C@@H]1CCCOCC1 330234124 GGUVNEULULJZFY-SSDOTTSWSA-N 294.298 3.567 30 20 CHED Cc1cnc(N=C(O)N2CCC[C@@H]2CCC2CCCC2)o1 330257553 LQFSFJSQHOCITB-CQSZACIVSA-N 291.395 3.963 30 20 CHED CCc1cccnc1/C(O)=N/CCO[C@@H]1CCCC[C@@H]1C 330548044 CZMIKJRIHNKGFO-DZGCQCFKSA-N 290.407 3.544 30 20 CHED COC1(C/N=C(/O)c2cc(C(C)C)on2)CCC(C)CC1 331067698 ZGPDUVPTXHJSMW-UHFFFAOYSA-N 294.395 3.698 30 20 CHED Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H](C)C#N)c1 334314371 PDUCMRCTTUMQKO-ZBFHGGJFSA-N 270.376 3.598 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N2CCC(CC#N)CC2)C1(C)C 334767392 HRJSSYDEUZBACG-GUYCJALGSA-N 276.424 3.601 30 20 CHED C[C@@H](Nc1c(F)cc(C#N)cc1F)c1c(F)cncc1F 335955958 QWYCVZSUFYLLDY-SSDOTTSWSA-N 295.239 3.683 30 20 CHED Cc1csc(NC(=O)[C@@H](C)c2cccc(F)c2)c1C#N 335992379 VJCSLEFJBPFFIR-JTQLQIEISA-N 288.347 3.810 30 20 CHED CC[C@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(C#N)cc1 337537829 HHMISCNYPOJKGA-RRFJBIMHSA-N 294.345 3.759 30 20 CHED N#Cc1ccc(NCc2cccc(-c3cccnc3)c2)cn1 337660903 IRDKOUUQOWHSKO-UHFFFAOYSA-N 286.338 3.627 30 20 CHED CCN(CCCC#N)c1cccc(Br)c1 339580140 GSAWAILFWUJYQF-UHFFFAOYSA-N 267.170 3.579 30 20 CHED C[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1F 343280180 QOSZHDPRQSZHIX-QWHCGFSZSA-N 296.345 3.678 30 20 CHED Cc1ccoc1CN(C)C(=O)C[C@H](CC#N)c1ccccc1 345063363 VXMVRYHYSMWHCY-INIZCTEOSA-N 296.370 3.634 30 20 CHED CC[C@@H](C(=O)N[C@@](C)(C#N)CSC)C1CCC(C)CC1 345100015 VQNGSJXSZOHKBF-MNSOJDNVSA-N 296.480 3.600 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H]1C[C@@H]1C(F)F)c1ccccc1 345594933 LAWMVVNUWHWRIR-MELADBBJSA-N 294.345 3.647 30 20 CHED C[C@@H]1CC(C(=O)NCC(C)(C)CCC#N)C[C@@H](C)C1 345880452 GPATXOXDUQDOFD-STQMWFEESA-N 264.413 3.505 30 20 CHED C=CCN(C(=O)c1ccccc1COC(C)(C)C)C1CC1 347896859 GVQCZWXSKLZIBL-UHFFFAOYSA-N 287.403 3.792 30 20 CHED N#Cc1cnccc1/C=C\c1coc(-c2ccccc2)n1 349103779 CVWYPAUPYOUOLH-SREVYHEPSA-N 273.295 3.779 30 20 CHED CC(C)CCN(CCC#N)C[C@H](C)CC1CCOCC1 349970968 RPOWRBBCSWIURL-MRXNPFEDSA-N 280.456 3.701 30 20 CHED CC[C@H](C)CCC(=O)Nc1ccnn1-c1ccc(C#N)cc1 352962136 KAXLWUQUFWARFB-ZDUSSCGKSA-N 296.374 3.509 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 354492113 PKNXFODCIDAXFV-OPQQBVKSSA-N 296.773 3.599 30 20 CHED C=CCOCCCOc1ccc(Cl)cc1C(C)=O 356022202 PVHPEZUYALIXTR-UHFFFAOYSA-N 268.740 3.514 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](OC)CC1 360701209 WKFKKOVTGXYSBD-HNNXBMFYSA-N 269.429 3.765 30 20 CHED N#CCCCCN[C@@H](c1ccc(F)cc1)C(F)(F)F 362149179 LCWYKIDABJAKJF-LBPRGKRZSA-N 274.261 3.713 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(F)F)c1 362804778 HHJKXXDVWZKNSE-GJZGRUSLSA-N 298.292 3.546 30 20 CHED C=C[C@@H](COC)N[C@@H](CC)c1ccc(Cl)s1 381641785 ANTNQFMSCZYYIF-UWVGGRQHSA-N 259.802 3.643 30 20 CHED C=CC(C)(C)CN[C@H](CC)c1ccc(OC)c(OC)c1 384850535 LHMPDSBGDFEEIT-CQSZACIVSA-N 277.408 3.957 30 20 CHED C=CCCCCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCN1 388509303 NCVRUOYAYMWWOX-GVDBMIGSSA-N 264.457 3.633 30 20 CHED C=CC[C@H](CC)NCc1cc2cccc(OC)c2o1 393761990 MLYXANMYFOYADR-ZDUSSCGKSA-N 259.349 3.886 30 20 CHED CC[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@H](CC)O1 398539627 UIRGKNPINIJMBN-HUUCEWRRSA-N 266.429 3.596 30 20 CHED N#CCc1ccc(CN2CCC[C@@H]2C2CCCC2)cc1 399067545 CDSVAJUWPBLNOT-GOSISDBHSA-N 268.404 3.907 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccccc2s1 410132046 BBWOEFUIUCQYSZ-LBPRGKRZSA-N 259.374 3.986 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@@H](CC)c1ccccc1 410829799 SJVSLJIMKSNJJA-GDBMZVCRSA-N 272.392 3.721 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C[C@@H]1CCC[C@@H]1C 411063575 LQJONMPKXXZTPS-FZMZJTMJSA-N 284.359 3.526 30 20 CHED CC1(C)CCCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[C@@H]1C#N 412297545 XHDOQYVRXQTKQK-MDZRGWNJSA-N 296.414 3.721 30 20 CHED C=CCC[C@@H](C(=O)N[C@H]1CC1(C)C)c1ccccc1 412508976 ZELOTOWTUJJPBD-CABCVRRESA-N 257.377 3.651 30 20 CHED CSCCCSCc1ccc(C#N)c(C)c1 413010248 TXLZVTXVARFTFR-UHFFFAOYSA-N 251.420 3.853 30 20 CHED N#CCC[C@H](Nc1cc(NC2CC2)ncn1)c1ccccc1 413197131 FLWNLYXBFKGCCA-HNNXBMFYSA-N 293.374 3.508 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1F 413788280 UYJALMYMVHFWQE-HZPDHXFCSA-N 290.382 3.665 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N1CCc2cc(C#N)ccc21 416015460 QOFZPWFCUJYESB-GOEBONIOSA-N 282.387 3.664 30 20 CHED C=CCC1(c2nc(C3(CCOC)CCC3)no2)CCCC1 420515657 TWNZUOKLCYYYOE-UHFFFAOYSA-N 290.407 3.916 30 20 CHED C=CCC1(C(=O)N2C[C@H](CC)O[C@@H](CC)C2)CCCC1 421967134 GQCKRLVYWQJZMO-GJZGRUSLSA-N 279.424 3.539 30 20 CHED C=CCC1(c2nc([C@@H]3CCCC[C@H]3C)no2)CCOCC1 424348589 PGICYJWKOPEFBZ-ZIAGYGMSSA-N 290.407 3.988 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC1(Cc2ccccc2)CC1 425931124 ZUIIHOPPNNVXSO-QGZVFWFLSA-N 298.430 3.759 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCc1c(C)cccc1C 425951772 DYLJZLJCGVLDSI-MRXNPFEDSA-N 286.419 3.596 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cccc(F)c1C#N 427548751 YLOYBPGHHRSDPH-UHFFFAOYSA-N 280.302 3.765 30 20 CHED C=CCN(CCC#N)[C@@H](C)CCSc1ccccc1 428838331 YENJMQSATUETAV-HNNXBMFYSA-N 274.433 3.959 30 20 CHED Cc1cccc2c1CN([C@H](C)c1ccc(C#N)cc1)CC2 429557897 CWKGIUVSSPTICK-OAHLLOKOSA-N 276.383 3.986 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCC[C@@H](CCC)C1 432558192 OKBSDTNITOKMCV-CQSZACIVSA-N 266.429 3.810 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@@H]1CCCC 436308852 NSBRSVJLORKZPJ-YVSFHVDLSA-N 265.441 3.916 30 20 CHED C=CCC[C@H](N[C@H]1CCN(Cc2ccccc2)C1)C1CC1 439079983 PYICUMJPHAMGAI-OALUTQOASA-N 284.447 3.595 30 20 CHED Cc1cc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)ccc1C#N 443998035 NXZIFOXWSPOZJE-XUVXKRRUSA-N 288.394 3.542 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2ccc(F)c(F)c2)no1 445452084 OHEDWTWZIIAWEV-JTQLQIEISA-N 294.301 3.592 30 20 CHED CC[C@H](N[C@H](C)CC(F)(F)F)c1ccc(C#N)cc1 447600332 LXHPPSBZUXOOAJ-MFKMUULPSA-N 270.298 3.940 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 448629743 XPZNTSGAHJCXPY-QGZVFWFLSA-N 295.386 3.712 30 20 CHED COc1ccc(CCCNC2CCC(C)(C#N)CC2)cc1 449084158 FUYMIHYRDRMSQM-UHFFFAOYSA-N 286.419 3.690 30 20 CHED C=CCOc1ccc(CNC2CC(C)(F)C2)cc1Cl 449369832 GLLCEEPRTWYVLK-UHFFFAOYSA-N 283.774 3.885 30 20 CHED CC1(C#N)CCC(Nc2ccccc2OCCF)CC1 449384515 BNDJQOFIHOICOF-UHFFFAOYSA-N 276.355 3.919 30 20 CHED C=C(CC)CNC1CCN([C@@H]2CCCC[C@@H]2C)CC1 449734678 NXRZJTDRHCFOGT-DOTOQJQBSA-N 264.457 3.585 30 20 CHED CCCC[C@H](CCC)NC(=O)[C@@]1(C#N)CC12CCCC2 450105018 MUGFCOISJGMFAF-YOEHRIQHSA-N 276.424 3.936 30 20 CHED C=CCC1(C(=O)NC[C@H](C)C(F)(F)F)CCCCC1 450736515 GCFIRQSQGSNCPG-NSHDSACASA-N 277.330 3.828 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)CCc1ccccc1F 452772857 GVDIQFKWSVPGRX-ZDUSSCGKSA-N 277.383 3.723 30 20 CHED C=CCCc1noc(COc2ccc(C(C)C)cc2)n1 453251358 ZWBWYGBWUHJEIK-UHFFFAOYSA-N 272.348 3.891 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 455563119 IOEGYTGPCZCEPG-GWCFXTLKSA-N 298.308 3.630 30 20 CHED C=CC(C)(C)CNC(=O)Nc1scnc1C(C)C 455863018 JVPDACLJRUADLP-UHFFFAOYSA-N 267.398 3.600 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cccc(CC#N)c1 455900523 BZLFDXRZPKPGEY-ZDUSSCGKSA-N 273.380 3.795 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cccc(CC#N)c1 455908586 ADHHUHGOWXZHDM-QWHCGFSZSA-N 273.380 3.699 30 20 CHED CC#CCN(C)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 458098046 YUWWTMKIISITKP-JTQLQIEISA-N 299.201 3.719 30 20 CHED N#C[C@]1(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CC12CCCC2 459869082 BHNNSQXJZCDBDO-DAYGRLMNSA-N 286.419 3.642 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 462909866 FWIUMEGQMGIKCE-SOUVJXGZSA-N 269.392 3.951 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCCCC12CCCC2 463307179 HUDFAHFKKRUBRD-KBPBESRZSA-N 264.413 3.753 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@@H]1CC 465019632 ZHQFYTVFDPPPOR-GJZGRUSLSA-N 266.429 3.953 30 20 CHED C=CCOc1cccc(CN[C@@H]2COc3ccc(F)cc32)c1 466455724 PAIXQRWYSURXRG-QGZVFWFLSA-N 299.345 3.614 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC1CC(c2ccccc2)C1 466699604 KASGMHDMHAJYMZ-OFLPRAFFSA-N 284.403 3.683 30 20 CHED C=CCC[C@H](O)CN(C)Cc1ccc2cc(OC)ccc2c1 472743773 BNZATRPTUFFPNP-SFHVURJKSA-N 299.414 3.607 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC)CC1CCC1 474664410 LAPROTOREZGIBX-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=CCCCCNCc1ccnn1-c1ccccc1C 474926137 WTTZWIAQQLEFBX-UHFFFAOYSA-N 269.392 3.627 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCc3cc(C)ccc32)CC1 475106793 GLDIQQVGRKGPRV-MRXNPFEDSA-N 269.388 3.845 30 20 CHED C=CCC1(C(=O)NCCOc2ccc(Cl)cc2)CCC1 477827708 UVVKUYPMYWLNDW-UHFFFAOYSA-N 293.794 3.581 30 20 CHED Cc1c(C#N)cccc1NC(=O)CC(C)(C)C1CC1 482815829 XWPQGWHVGUIHKC-UHFFFAOYSA-N 256.349 3.632 30 20 CHED C=CCN(CCOC)Cc1ccc(-c2ccc(F)cc2)o1 483435158 WTCIAUQKNVZVLW-UHFFFAOYSA-N 289.350 3.720 30 20 CHED Cc1ccc(C(C)(C)C(=O)Nc2ccc(F)c(C#N)c2)cc1 484275756 ACYZCQBSBWWRMT-UHFFFAOYSA-N 296.345 3.922 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@]2(C#N)CC2(C)C)cc1 484905921 GXZYZAZUSLFXNG-SFHVURJKSA-N 284.403 3.551 30 20 CHED CCCCC[C@H]1CCCN1C(=O)NCc1cccc(C#N)c1 487669303 UUKDQWAQWPZNFJ-KRWDZBQOSA-N 299.418 3.813 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)Oc1ccccc1F 488875430 GGVJDPBHSFTWSZ-UKRRQHHQSA-N 291.366 3.550 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)Oc1cccc(Cl)c1 489770280 PWVIBIJAGQIPPW-LBPRGKRZSA-N 295.810 3.826 30 20 CHED N#Cc1cccc(CNCc2ccc3c(c2)CCCC3)c1 490592207 IZKGFWNGTYDXNL-UHFFFAOYSA-N 276.383 3.727 30 20 CHED C=CCn1nnnc1S[C@@H](CC)c1ccc(Cl)cc1 494135534 YNSMNSPGOJQVIT-LBPRGKRZSA-N 294.811 3.756 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)o2)CC1 504198800 DCIGZURWGWDZTF-CHWSQXEVSA-N 288.391 3.876 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2ccn(C)c12 505726037 JGSYLOKLFGUKNT-UHFFFAOYSA-N 256.349 3.719 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](CC)C1 508488858 LEOZGSIYTVPJTO-OAHLLOKOSA-N 296.418 3.676 30 20 CHED C=C(C)CCc1noc(Cc2cc(C)ccc2C)n1 508635865 ZLRZOYNBHQRFIG-UHFFFAOYSA-N 256.349 3.786 30 20 CHED C=CCCCCNC(=O)c1ccc(Cl)c2ncccc12 509313060 GXLSLYPGZZVVSJ-UHFFFAOYSA-N 288.778 3.974 30 20 CHED C=C(C)CCN(CC)[C@@H](COC)Cc1ccccc1 509644751 VGFYNXVBPNKXTI-QGZVFWFLSA-N 261.409 3.532 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)NCC(C)(C)CCC#N 513124047 OMSGELNGJRLVGK-CQSZACIVSA-N 293.455 3.927 30 20 CHED CCN(CCOc1ccc(C(C)C)c(C)c1)C[C@@H](C)C#N 513415765 LAEYFLZPJQZZHT-HNNXBMFYSA-N 288.435 3.979 30 20 CHED C=CC[C@H](Cc1ccccc1)NC1CCN(CC2CC2)CC1 515613447 DMUGUKLDYYTUHH-HXUWFJFHSA-N 298.474 3.638 30 20 CHED Cc1cccc(NC(=O)[C@@H](C)SCC2(C#N)CCC2)c1 516917063 IELAZCIXPAZTMQ-CYBMUJFWSA-N 288.416 3.749 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H]2CCO[C@H](CC)C2)n1 519009114 VEEPLYNTUYHZDW-CHWSQXEVSA-N 278.396 3.671 30 20 CHED C=CC(C)(C)c1nc(-c2c(C)nc3sc(C)cn23)no1 520513401 RJHHBLFUVPLSSD-UHFFFAOYSA-N 288.376 3.526 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@@H](C)CCC 521113014 UWMJEEKVTHOVRM-AWEZNQCLSA-N 275.392 3.694 30 20 CHED C=CC1CCN(C(=O)NC[C@@H]2CCCc3ccccc32)CC1 521175611 IXUUIMDEOZXBFE-KRWDZBQOSA-N 298.430 3.714 30 20 CHED C=CCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 521196986 ZSLANSXSUJYQOD-UHFFFAOYSA-N 255.273 3.827 30 20 CHED C=CCOc1ccccc1CNC(=O)N[C@H](CC)CCC 522053109 QRRUCBSBULYTAO-OAHLLOKOSA-N 290.407 3.629 30 20 CHED CCc1cnc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 530732930 RINITEQDXTXGKA-IAGOWNOFSA-N 295.386 3.509 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)c(F)c1)OCC 535151009 DNQMGZKDIGEIQN-CYBMUJFWSA-N 285.746 3.789 30 20 CHED CC(C)N(C(=O)c1ccc(Cl)c(C#N)c1)C1CCC1 537581156 ICDFLQFMJUJKAP-UHFFFAOYSA-N 276.767 3.615 30 20 CHED C=C(CC)CSCCOc1ccccc1C(C)=O 539094657 YXYFBAAWZTWRIK-UHFFFAOYSA-N 264.390 3.967 30 20 CHED Cc1cccc2c1N(Cc1cccc(C#N)c1F)CC2 540347770 ISXKEFRIJDGRPF-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2nc3ccccn3c2C#N)o1 541113067 ODIRLCIDCOPZLB-AAEUAGOBSA-N 292.342 3.534 30 20 CHED C=CCC[C@H](C(=O)NCc1cc(CC)no1)c1ccccc1 547962183 XFKSBLQIUQTXEL-KRWDZBQOSA-N 298.386 3.603 30 20 CHED CC[C@@H](CN(CC)C(=O)C1(C#N)CC(C)C1)c1ccccc1 548501404 UCCHWELUOYUZHC-WUJZJPHMSA-N 298.430 3.969 30 20 CHED C=CCC[C@@H](CC)NC[C@H](CO)C1CCCCC1 556241540 NCCQQOQZTFIKAD-HZPDHXFCSA-N 253.430 3.510 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCCCCF 556498088 WLWCJZODFXXLPQ-IAGOWNOFSA-N 274.383 3.898 30 20 CHED CC(C)c1[nH]ccc1C(=O)N[C@](C)(C#N)C1CCCCC1 556843809 INGNGDREZUCTRP-QGZVFWFLSA-N 287.407 3.730 30 20 CHED C=C(CC)CN[C@H]1c2ccccc2CC12CCOCC2 558487470 AVUOEZZZYSQLOT-KRWDZBQOSA-N 271.404 3.636 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cc(C#N)n(C)c1 561983164 SIZIIEFUSFPZAU-ZFWWWQNUSA-N 273.424 3.543 30 20 CHED C[C@@H](C#N)CNC(=O)NCc1ccc(C2CCCCC2)cc1 562665585 PANJCZMMQJTMMW-AWEZNQCLSA-N 299.418 3.693 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(F)cccc1Cl 568388038 AOWDVLCFKGWVNO-QMMMGPOBSA-N 256.708 3.565 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC(C)(C)C1 569503999 RABSQZNPCQHCCO-NSHDSACASA-N 289.354 3.597 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2CCc2ccccc2)nc1 570695018 PHGUFQIYOXRLBA-IBGZPJMESA-N 291.398 3.550 30 20 CHED CCc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1Cl 570707148 MENMRECBTRBJFX-UHFFFAOYSA-N 298.773 3.955 30 20 CHED CCC[C@@H](NC(=O)N1CCC(CC#N)CC1)C1CCCC1 573899165 FFSLEDXVDADOLA-MRXNPFEDSA-N 291.439 3.681 30 20 CHED CC(C)(C#N)c1ccccc1CSCC1CCNCC1 580323122 GTGKLWMRHXQFQZ-UHFFFAOYSA-N 288.460 3.721 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC[C@H](C#N)CCC#N 581483469 OWLWAGLQVVAQCI-DZGCQCFKSA-N 285.391 3.635 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1cc(C#N)cc(C)n1)CC2 587972394 WDYVLTVEFWEWHE-INIZCTEOSA-N 263.344 3.670 30 20 CHED CCc1nc(C)c(CNc2nc(C(C)(C)C)ccc2C#N)o1 589880082 FFCMGCLFKAZXFL-UHFFFAOYSA-N 298.390 3.722 30 20 CHED CC(C)O[C@H](CN(CCC#N)C(C)C)c1ccccc1 589984893 LCWAJEDGOZYYTH-QGZVFWFLSA-N 274.408 3.777 30 20 CHED C[C@H]1Cc2ccccc2N1c1nc(C#N)c(Cl)s1 590570672 TWMWYYWWFCLDBF-QMMMGPOBSA-N 275.764 3.751 30 20 CHED Cc1c(F)cccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 591510966 VXAQCVGNFZGVBA-KRWDZBQOSA-N 288.366 3.727 30 20 CHED COc1cc(C)nc(CSc2ccc(C#N)c(C)c2)c1 592355570 YICUVKRSVMIBSD-UHFFFAOYSA-N 284.384 3.871 30 20 CHED C=CCC(CC=C)C(=O)Nc1sc(C)cc1C(=O)OC 593327309 JEDJTABYHFZFJX-UHFFFAOYSA-N 293.388 3.550 30 20 CHED CC[C@H](C#N)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C 593493529 OYBZRGBQIHHPGP-NVXWUHKLSA-N 284.403 3.907 30 20 CHED N#CCC1(CNc2cccc(OCC(F)(F)F)c2)CC1 594701842 UKAVXWHZAGOPBH-UHFFFAOYSA-N 284.281 3.733 30 20 CHED Cc1ccc(NCC2(CC#N)CC2)cc1OC(F)F 594706253 UCMSJQQMBJFLRZ-UHFFFAOYSA-N 266.291 3.702 30 20 CHED C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1)c1cccc(C#N)c1 595080776 NYVVTSLIMVCUJT-CRAIPNDOSA-N 297.446 3.616 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCc1ccoc1 595091160 VYMHRRWGTJIMEW-GOSISDBHSA-N 280.371 3.751 30 20 CHED CC1(C#N)CCC(NCc2cnccc2C(F)(F)F)CC1 596061801 KHROCRAOANGOIA-UHFFFAOYSA-N 297.324 3.662 30 20 CHED Cc1cccc([C@@H]2CCN(c3nc(C#N)ccc3C)C2)c1 596192132 FMIDJWZOTLAMLC-MRXNPFEDSA-N 277.371 3.564 30 20 CHED COc1ccccc1N(C)C(=O)CC1(C#N)CCCCC1 596858411 GCTQJXCEPOYWKP-UHFFFAOYSA-N 286.375 3.522 30 20 CHED C=CCCSCCNC(=O)CCCc1sccc1C 597967885 AVXVVVTUQRVDBS-UHFFFAOYSA-N 297.489 3.805 30 20 CHED CCN(C(=O)c1ccc(C(C)C)c(Cl)c1)[C@@H](C)C#N 598361648 MWHPQMOEGVHOSD-NSHDSACASA-N 278.783 3.838 30 20 CHED CCCN(Cc1ccc(C)cc1)C[C@@H](O)CC(C)(C)C#N 598584407 LPUPUHVTNRBSFW-KRWDZBQOSA-N 288.435 3.508 30 20 CHED CN(C(=O)CCCCCC#N)c1ccc(F)cc1Cl 598867339 AZZJOQINMPDCCT-UHFFFAOYSA-N 282.746 3.916 30 20 CHED CC1(C)CCC(C)(C)N(C(=O)c2ccc(CC#N)cc2)C1 600226170 GVONFJREEIQELV-UHFFFAOYSA-N 284.403 3.793 30 20 CHED C[C@@H]1CN(C(=O)c2ccccc2CC#N)[C@@H]1c1ccccc1 601259841 DGTFXVHWYYSKRE-KDOFPFPSSA-N 290.366 3.586 30 20 CHED CC[C@](C)(NC(=O)CC(C)(C)C#N)c1ccc(F)cc1 601697424 BTLNPRUKNHSKQJ-INIZCTEOSA-N 276.355 3.507 30 20 CHED C[C@@H](CCC#N)Sc1ccc(Cl)cc1C#N 601914623 WIGCKGDUXPAZFH-VIFPVBQESA-N 250.754 3.996 30 20 CHED C[C@H](CCC#N)CN1CCS[C@H](c2ccccc2)C1 602472236 QAXHCBZRUHQITF-ZBFHGGJFSA-N 274.433 3.716 30 20 CHED Cn1ccnc1[C@@H](N[C@H](CCC#N)c1ccccc1)C1CC1 602581806 KYWQQJWSHOTBGN-SJORKVTESA-N 294.402 3.506 30 20 CHED CC(C)C(CN[C@H](C)CC1(C#N)CCOCC1)C(C)C 602629645 ICKXDBKPOWOGKN-OAHLLOKOSA-N 280.456 3.603 30 20 CHED C[C@@H](CC#N)NCCCc1ccc(C(F)(F)F)cc1 602860326 CNTCDFPFEGITAU-NSHDSACASA-N 270.298 3.530 30 20 CHED C=CCCCCCN(C)C(=O)NCC1CCCC1 606916278 IWAZDWVLJMUNII-UHFFFAOYSA-N 252.402 3.564 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@@H](C)CC(C)C 609012499 ZZHVZFPDQCXONM-ZDUSSCGKSA-N 288.391 3.968 30 20 CHED N#Cc1cccc(NC(=O)N2CCC(C3CCCC3)CC2)c1 610317525 QSPDHAXOEBTMED-UHFFFAOYSA-N 297.402 3.992 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(CC)cc2)C1 617789976 ZCLHPDXQBPDJSD-HNNXBMFYSA-N 257.377 3.677 30 20 CHED CC[C@H](C)n1ncc(N[C@H]2CCC[C@@H](C#N)C2)c1C 618577844 LTERRPVOBBRMBA-YUTCNCBUSA-N 260.385 3.657 30 20 CHED CCC[C@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(C)C 618790249 ZATPSIZSKRDINJ-DOTOQJQBSA-N 284.403 3.734 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccsc1 619749654 RQNJCNQCHOLTMW-SNVBAGLBSA-N 271.345 3.502 30 20 CHED C=C[C@H](CC(=O)NCCCc1ccco1)c1ccccc1 620364361 WFNXBWSZWYAJJK-OAHLLOKOSA-N 283.371 3.688 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(F)ccc(F)c1Cl 622861685 CBZBBTRPSFPUFA-QMMMGPOBSA-N 273.710 3.703 30 20 CHED Clc1ccc(C#CCN2CC[C@@H](c3cccnc3)C2)cc1 645982280 ZMOAEDHCOUNXIJ-QGZVFWFLSA-N 296.801 3.576 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCS[C@@H]1C 648680342 ZQYXAVZMYXVQLM-DGCLKSJQSA-N 293.457 3.589 30 20 CHED C=CCCCCN(Cc1ccco1)C[C@@H]1CCCO1 649255339 RAJFIGYHFCQZNA-INIZCTEOSA-N 263.381 3.617 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)CSc1ccccc1 653317737 GMAYWXDCEYMSIS-ZIAGYGMSSA-N 292.448 3.773 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCC1(COC)CCC1 658024455 XQPJDGLQKKAUEF-JKSUJKDBSA-N 265.441 3.918 30 20 CHED C=CCCC(C)(C)NC(=O)NCCc1c[nH]c2ccccc12 663409383 IFLYSLTXXQSEJS-UHFFFAOYSA-N 299.418 3.754 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCC(C)(F)F 665666994 LWPJIJZJUDWVFM-AWEZNQCLSA-N 281.346 3.725 30 20 CHED C=CCCO[C@@H](C)c1nc([C@H]2CCc3ccccc3C2)no1 680768455 ATGKOLHBWOHOGV-BBRMVZONSA-N 298.386 3.996 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CCCC[C@H]2C)c1 714399739 JDQAQBDYOYIBFP-DOMZBBRYSA-N 256.349 3.632 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccc(F)c2F)c1 726483846 YEWIHRVYWRUQEQ-UHFFFAOYSA-N 288.322 3.755 30 20 CHED C#CCCCOC(=O)CCC(=O)c1ccc(CCC)cc1 727040987 PLEGCTBHRGARND-UHFFFAOYSA-N 286.371 3.559 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@H](C#N)CCC 727675260 IMUQYSHIEBRFLU-KBPBESRZSA-N 252.402 3.791 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(F)cc1O 727778956 VEKIRDVGZJSQDF-UHFFFAOYSA-N 280.249 3.646 30 20 CHED C=CCCOC(=O)c1ccc(C)c(-n2cccc2)c1 729073375 VCAWCVULTVPWLH-UHFFFAOYSA-N 255.317 3.519 30 20 CHED C=CCCOC(=O)CCc1ccc(-c2ccccc2)o1 729073684 KTCSGUAANWBZJJ-UHFFFAOYSA-N 270.328 3.999 30 20 CHED C=CCOCC(=O)O[C@@H](C)c1ccc(C(C)(C)C)cc1 729650747 KTOCQBLNQQNTJO-ZDUSSCGKSA-N 276.376 3.791 30 20 CHED C=C(C)CN(CC)C(=S)NC[C@H](CC)CCCC 730592589 VGGCGQCKNWKXFN-CQSZACIVSA-N 270.486 3.975 30 20 CHED CCC(Cc1cccs1)=NNc1cc(C)nc(C)n1 730948108 YQUOFUDWASFZEA-UHFFFAOYSA-N 274.393 3.576 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1ccc(F)cc1C 731314017 WBNINAZYNCEZPP-UHFFFAOYSA-N 296.349 3.857 30 20 CHED C=CC[C@H](NCc1ccc(Cl)o1)c1ccncc1 734510190 SXPZCVKOEIKDNW-ZDUSSCGKSA-N 262.740 3.735 30 20 CHED C=CCNC(=S)N(CC1CCC1)[C@@H](C)c1ccccc1 740773843 YSHSJIPJWLDGDL-AWEZNQCLSA-N 288.460 3.910 30 20 CHED CC(=NNc1ccccn1)c1cccc(-c2ccncc2)c1 741458024 XLRNZKVXZURJJQ-UHFFFAOYSA-N 288.354 3.980 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H](SCC)C(C)C)cc1 742864031 GCGJZVMPSSLXBS-HNNXBMFYSA-N 294.416 3.935 30 20 CHED C#CCCCNC(=O)N[C@H](CC)c1ccc(Cl)s1 743693479 YVPZBKINBKUHIU-SNVBAGLBSA-N 284.812 3.565 30 20 CHED CCC(=NNc1ccc(Cl)cc1)C1CCOCC1 745193354 PGXIEZGGVGYZDZ-UHFFFAOYSA-N 266.772 3.945 30 20 CHED FC(F)(F)c1ccc(CON=Cc2cscn2)cc1 746575809 HXSDUQNTMPQHAN-UHFFFAOYSA-N 286.278 3.713 30 20 CHED C[C@H](CNCc1ccc(C#N)s1)c1cccc(F)c1 749111219 YPHSNDAYOFNXCD-LLVKDONJSA-N 274.364 3.652 30 20 CHED Cc1cc(F)ccc1C=NNc1nncc2ccccc12 750917422 HTKUUKRTNDEPAO-UHFFFAOYSA-N 280.306 3.523 30 20 CHED Cc1cc(F)ccc1NN=Cc1cnn(C(C)(C)C)c1 750938140 CGMXJQHBYWJYLG-UHFFFAOYSA-N 274.343 3.532 30 20 CHED CC[C@H](C#N)OC(=O)CCc1ccc(CC(C)C)cc1 752513351 CFZLWGKDHOLBFW-MRXNPFEDSA-N 273.376 3.663 30 20 CHED COc1ccc(O)c(C=Nc2cc(C#N)ccc2Cl)c1 755031470 LBOQSTCFTCPQJN-UHFFFAOYSA-N 286.718 3.676 30 20 CHED CCCCCCCCCCNC(=O)c1cc[nH]c1 755522597 DCPDQUBEXFOLIL-UHFFFAOYSA-N 250.386 3.885 30 20 CHED CCSc1ccc(C(C)=NNc2ccc(C)nn2)cc1 755699392 OXBGQHWEZIGWAL-UHFFFAOYSA-N 286.404 3.733 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccc(C#N)cc1 756830817 CSAIPDAECUCPRE-UHFFFAOYSA-N 283.762 3.725 30 20 CHED CC[C@@H]1CCC[C@H]1NCc1ccc(O[C@H](C)C#N)cc1 756901327 ITYLYXQEWFOLAB-FRFSOERESA-N 272.392 3.646 30 20 CHED C#CC[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1ccccc1 757597791 HVZPWZGWICPNCD-INMHGKMJSA-N 269.388 3.694 30 20 CHED CC[C@@H]1CCCC1=NNc1nncc2ccccc12 758359654 CITIAYWASGKIQG-LLVKDONJSA-N 254.337 3.608 30 20 CHED CC1(C)CCC/C(=C/c2nc(Cl)cs2)C1=O 759082616 FSWAYGIRFRSJLR-VURMDHGXSA-N 255.770 3.959 30 20 CHED Cc1ccc(F)c(NN=Cc2nc(-c3ccccc3)no2)c1 759653074 OCSKZNSQHDJCRR-UHFFFAOYSA-N 296.305 3.630 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)cc2F)cnc1Cl 760259127 PUNYEWQOFVXFCE-UHFFFAOYSA-N 299.683 3.907 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc(Cl)c(C)c2)o1 760261489 DEEJIXKOQJKQQU-SNAWJCMRSA-N 261.708 3.841 30 20 CHED C#CCCCCc1nc(-c2cccc3cnccc23)no1 761969441 GTTQKJYBSNJQPD-UHFFFAOYSA-N 277.327 3.631 30 20 CHED CCc1ccc(NC(=S)Nc2cc(CC#N)ccn2)cc1 763169430 RJSHZBGZIREJFH-UHFFFAOYSA-N 296.399 3.519 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sc2ccccc2c1Cl 767259142 NKFSEWCPEPUPBV-VIFPVBQESA-N 277.776 3.648 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)CC1CCC1 768033808 CZYHZSFEGJOOJR-UHFFFAOYSA-N 271.360 3.721 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H]2CCC[C@H](C)C2)n1 768362754 PVVDUOJQKUFHRR-GXSJLCMTSA-N 266.776 3.662 30 20 CHED CC[C@H]1C[C@@H](C)CCC1=NNc1nc(-c2ccncc2)no1 769576212 UYYUEDCIZKFMAZ-RYUDHWBXSA-N 299.378 3.746 30 20 CHED CC1(C)CCCN(Cc2ccc(CF)cc2)[C@H]1C#N 769894820 ZFBVYVIUPAKDQS-HNNXBMFYSA-N 260.356 3.670 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccccc1-c1ccccc1 770055248 UZAMIAQWOPTARZ-CQSZACIVSA-N 278.355 3.839 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(F)c2Cl)cc1 771866704 USIZINZRBYOUOW-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1nc(Cl)cc(NN=Cc2cscc2Cl)n1 771878561 JGIMTEKVEZYSQO-UHFFFAOYSA-N 287.175 3.599 30 20 CHED C=CCc1cc(CN[C@H](C)C(C)(C)C)cc(OC)c1OC 772955985 UNKVPZKXVCYVGB-CYBMUJFWSA-N 291.435 3.957 30 20 CHED Cc1cccc(/C=C2/C(=O)Nc3cc(C#N)ccc32)c1C 773161955 SENHAQOLUDFCDQ-CXUHLZMHSA-N 274.323 3.668 30 20 CHED CC(Cc1ccc(Cl)cc1)=NNc1ccc(F)cn1 773206800 IRTLZCJIMJRCHI-UHFFFAOYSA-N 277.730 3.905 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 773312064 PMHMAHUBUXEJSH-XSLAGTTESA-N 287.447 3.997 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 773585903 AREIOFTZDRUUJJ-UONOGXRCSA-N 287.378 3.854 30 20 CHED Cc1ccc(C)c2c1CCCC2=NOC1CCOCC1 774452489 YFAJYXBNSVAETA-UHFFFAOYSA-N 273.376 3.539 30 20 CHED CN(C)c1ccncc1C=NNc1cccc2ccccc12 776181208 UNYJTNJDZGEVIV-UHFFFAOYSA-N 290.370 3.747 30 20 CHED CCn1nc(C)c(/C=C2\CCc3ccc(F)cc3C2=O)c1C 776193886 WDWFEKZDJKWVKU-NTEUORMPSA-N 298.361 3.871 30 20 CHED C[C@H](CNCc1cc(C#N)ccc1F)c1ccc(F)cc1 776362689 QZLHVRJNMHKCAE-GFCCVEGCSA-N 286.325 3.730 30 20 CHED C[C@@H](CC(=O)OCc1ccccc1C#N)c1ccccc1 776465977 KEUPBIIYWGHVHU-AWEZNQCLSA-N 279.339 3.795 30 20 CHED CCCc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 777429438 KUNMMTHHANKUEI-UHFFFAOYSA-N 282.318 3.902 30 20 CHED Clc1ccc(C=NOCc2ccc3c(c2)COC3)cc1 778025408 WWJBMKGJSBLULC-UHFFFAOYSA-N 287.746 3.921 30 20 CHED C#CCCCCCC(=O)NCCc1cc(C)cc(C)c1 779918656 VMITYAFMKGFGNY-UHFFFAOYSA-N 271.404 3.546 30 20 CHED CCSc1cccc(C=NNc2ncncc2Cl)c1 780279805 RJOLBFWQQKZJEN-UHFFFAOYSA-N 292.795 3.688 30 20 CHED C#CCCCCCC(=O)N1CCC[C@H]1c1ccc(O)cc1 780400133 GVXWCOKIEHTZSY-KRWDZBQOSA-N 285.387 3.639 30 20 CHED C#CCN(CC)C(=O)c1c(-c2ccccc2)oc(C)c1C 780456315 VLJXMZQDPQFBCY-UHFFFAOYSA-N 281.355 3.659 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccco2)cc1F 782346523 AEHSKKXQTCGSBZ-FNORWQNLSA-N 260.264 3.714 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccc(C#N)cn1 783295130 ZZJORKDMEXQGDB-SUMWQHHRSA-N 277.371 3.600 30 20 CHED CC(C)(C#N)CCSCC(=O)OC1CCCCC1 783485959 BYDZMSOUYMPSOX-UHFFFAOYSA-N 269.410 3.535 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1cnnc2ccccc12 783845706 IGXZYDXIJFBOEQ-OLZOCXBDSA-N 268.364 3.854 30 20 CHED FC(F)COc1ccc(C=NNC2CCCCC2)cc1 786043769 WXIYGUNCVBSERN-UHFFFAOYSA-N 282.334 3.587 30 20 CHED N#CCCNC(=O)N[C@@H](c1ccccc1)C1CCCCC1 787355959 YTWLHXARMJQEEB-INIZCTEOSA-N 285.391 3.521 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 787877367 IILFLBHFZXGINA-RYQLBKOJSA-N 298.430 3.684 30 20 CHED CC(=NN[C@@H]1CCOC1)c1cc2c(ccc3ccccc32)o1 788447103 OYGKXGUYZZFCMC-CQSZACIVSA-N 294.354 3.689 30 20 CHED C=CCCCC(=O)O[C@H]1CCOc2c(C)cccc21 789505328 TZJSHBVPJMUFJP-AWEZNQCLSA-N 260.333 3.718 30 20 CHED CC[C@@H](C)NN=C(CC1CCCCC1)c1ncccn1 790183208 PUZTXHMYEIJEDJ-CYBMUJFWSA-N 274.412 3.539 30 20 CHED Fc1ccc(C=NNc2cc(Cl)cc(Cl)c2)cn1 790202057 NZTQNVGUFXPMKR-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)Cc2ccccc21 792205597 VOBFLASNAIZALZ-CYBMUJFWSA-N 280.346 3.817 30 20 CHED CC(C)CON=C(C[C@@H]1CCOC1)c1ccc(F)cc1 793034511 ORNOWAFWEAHYCA-ZDUSSCGKSA-N 279.355 3.629 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NN[C@@H](C)C(C)(C)C 793114396 GJSAWYLDKDEYIR-ZDUSSCGKSA-N 291.395 3.928 30 20 CHED CSCCON=Cc1c(Cl)cccc1OC(F)F 794572023 JRDSTPMRDGNLSA-UHFFFAOYSA-N 295.738 3.655 30 20 CHED CSCCON=Cc1ccc(Cl)c2cccnc12 794574795 QEAQCNYLWQLVNI-UHFFFAOYSA-N 280.780 3.602 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1ccnc(F)c1 794722935 ZJXUXDIDNZVCJT-DUXPYHPUSA-N 278.286 3.665 30 20 CHED Fc1ccc(/C=C\C=Nn2cnc3ccccc32)cc1F 794889373 SBWGQVCXMGZTSK-MTSIVMMLSA-N 283.281 3.862 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1O 796696418 RMXCAASBWWFVLG-MRXNPFEDSA-N 284.334 3.644 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H](C)c1cc(F)ccc1F 797887665 PVEILZMLYHCEPF-MRVPVSSYSA-N 291.253 3.656 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CCC[C@@H]1CCCF 800974691 QBVJBOJKRYOSGX-NVXWUHKLSA-N 289.394 3.707 30 20 CHED C=CCCCOC(=O)c1ccccc1Oc1ccncc1 801501491 QPCSWAPXBIAABH-UHFFFAOYSA-N 283.327 3.997 30 20 CHED CC(C)(C#N)COC(=O)c1ccc(Cl)c2ncccc12 802128376 CNXOWQFSGLLRDO-UHFFFAOYSA-N 288.734 3.595 30 20 CHED C=C(CC)COC(=O)c1ccc(C(F)(F)F)s1 803864183 HWLWGWGPHNACFU-UHFFFAOYSA-N 264.268 3.890 30 20 CHED C[C@@H](OC(=O)C(C)(C)C1CC1)c1ccc(C#N)cc1 805700928 IYEJETIUJOABHF-LLVKDONJSA-N 257.333 3.599 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C2CC2)C(F)(F)F)cc1 806662730 PLSNXNBCAOMADX-IAQYHMDHSA-N 297.320 3.690 30 20 CHED Cc1ccc(C=NNc2ccc([N+](=O)[O-])cc2C)s1 807991400 MFMQFGDSBNMFAJ-UHFFFAOYSA-N 275.333 3.719 30 20 CHED C=CC[C@H](C)C(C)=NNc1nccnc1C1CCC1 807992282 BZTGICKGZNUIFW-NSHDSACASA-N 258.369 3.744 30 20 CHED C=CCCCCCCCNC(=O)c1ccnc(C)c1 811591030 XABXFZUCAPYFAX-UHFFFAOYSA-N 260.381 3.646 30 20 CHED C[C@@H](NN=C1CCc2ccc(C#N)cc21)c1ccccc1 811639701 GODKHYWHOORWIC-CYBMUJFWSA-N 275.355 3.559 30 20 CHED CC[C@H](O)CNN=Cc1c2ccccc2cc2ccccc12 811655515 PLMATEAMZFIOTP-INIZCTEOSA-N 292.382 3.687 30 20 CHED Cl/C=C\CON=C1CCN(C2CCCCC2)CC1 811670653 YDRCMCRPAUTOJT-WTKPLQERSA-N 270.804 3.540 30 20 CHED C=CCN(CCC#N)Cc1cc(-c2ccccc2)ccc1O 814171683 UNZWXBNTVGVHAM-UHFFFAOYSA-N 292.382 3.961 30 20 CHED CC(=NN=C1c2ccccc2-c2ccccc21)c1cc[nH]n1 814779457 MYNUVRUZDFJWPC-UHFFFAOYSA-N 286.338 3.652 30 20 CHED CSc1ccc(C=NNc2ccc(C#N)cc2)s1 814803194 MUVONJAGFWXOCA-UHFFFAOYSA-N 273.386 3.788 30 20 CHED N#Cc1ccc(NN=C2CC3(CC3)C2)cc1C(F)(F)F 814828517 HFURCAFODXSSCO-UHFFFAOYSA-N 279.265 3.919 30 20 CHED CCC(=NNCCCc1ccccc1)c1cccc(N)c1 814837912 QJJMJWZGEXJJQE-UHFFFAOYSA-N 281.403 3.605 30 20 CHED CC(C)[C@H]1CC(=NNc2cccc(F)c2F)CS1 814859285 NJEAILHQCSKSBT-GFCCVEGCSA-N 270.348 3.894 30 20 CHED CC(=NOCCC1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C 814940992 KRRCUSDPTJYLGG-CQSZACIVSA-N 296.411 3.579 30 20 CHED C=CCC(F)(F)C(=O)Nc1cccc2ccc(C)nc12 815313913 ZGLJSKRROMJVNJ-UHFFFAOYSA-N 276.286 3.693 30 20 CHED Cc1cc(C#N)cnc1C(=O)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 815920537 KIRVDXZSIAWGFL-BZUAXINKSA-N 298.386 3.777 30 20 CHED C[C@H](NN=C1CCC[C@@H](C2CC2)C1)c1ccncc1 819814998 KRCPXRKNYLEJCT-SWLSCSKDSA-N 257.381 3.688 30 20 CHED CCC(=NN[C@H](C)c1ccncc1)c1ccc(F)cc1F 819819249 VGNNLDASPWDYQS-LLVKDONJSA-N 289.329 3.825 30 20 CHED Cc1c([C@H](C)NC(=O)C#CC(C)C)oc2ccccc12 822584651 KKHPZXDBGWCWBM-ZDUSSCGKSA-N 269.344 3.578 30 20 CHED C[C@H](NCc1ccc(OCC#N)cc1)[C@@H]1CCCC[C@H]1C 823830839 GHVPILHASYNCMR-RVKKMQEKSA-N 286.419 3.893 30 20 CHED COc1cccc2cc([C@@H](C)NCC3(C#N)CCC3)oc12 828812359 YNVRHGLDVWIPRU-GFCCVEGCSA-N 284.359 3.786 30 20 CHED COc1cc(C)ccc1/C=C\C(=O)c1cnn(C(C)C)c1C 834434472 KEWXEKKNDKYZLK-HJWRWDBZSA-N 298.386 3.986 30 20 CHED CC(=NNc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1O2 834916577 DRXRTXZTEFLQAX-JTNHKYCSSA-N 264.756 3.695 30 20 CHED C[C@@H](CC(C)(C)C)NCc1ccc(O[C@@H](C)C#N)cc1 835065296 OFHHWPRPPCWVKH-KBPBESRZSA-N 274.408 3.892 30 20 CHED C#CC[C@H](NC(=O)c1scnc1C(C)C)c1ccccc1 839310961 AOVORBHIGANGIV-AWEZNQCLSA-N 298.411 3.761 30 20 CHED C#CCCCCC(=O)N1CCCc2ccc(F)c(C)c21 839438637 LSNBHNBBVHBEES-UHFFFAOYSA-N 273.351 3.607 30 20 CHED C=CCC1(C(=O)Nc2nccn2C2CC2)CCCCC1 839938064 FYDIFEWJHVOQTI-UHFFFAOYSA-N 273.380 3.683 30 20 CHED Cc1ccc(NC(=S)NCC(C)(C)CC#N)c(C)c1 840846775 ZGPPEBZOQFNMHC-UHFFFAOYSA-N 275.421 3.530 30 20 CHED CCCCCCCCNC(=O)Nc1cc(N)ccc1F 841307166 RZIUQARCZCRLSR-UHFFFAOYSA-N 281.375 3.890 30 20 CHED CC(=NOCCOC(C)C)[C@@H]1C[C@H]1c1cccs1 841642608 XJJZDFBQVUHZCH-QWHCGFSZSA-N 267.394 3.669 30 20 CHED C[C@@H]1SCC[C@@H]1/N=C\c1c(O)ccc2ccccc12 843263241 IXBUIQDSDFGQNP-UQKCDJNXSA-N 271.385 3.858 30 20 CHED C=C[C@H](C)ON=Cc1ccc(N2CCCCC2)s1 844625648 SJWUDGBJVVNWAW-LBPRGKRZSA-N 264.394 3.663 30 20 CHED C=CCCCC(=O)N(C)[C@H](C)CSc1ccccc1 844682312 FIRSMSVCGLGUKU-CQSZACIVSA-N 277.433 3.982 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1scnc1C)C2=O 848642946 NDLZZROXWAZIEZ-QPEQYQDCSA-N 269.369 3.891 30 20 CHED Cc1cc(C(=O)/C=C/c2c(C3CC3)cnn2C)cs1 849249162 DNBCQWVDPNLBIE-AATRIKPKSA-N 272.373 3.564 30 20 CHED C#C[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1 851087655 SWOBBGBUYHCYKX-INIZCTEOSA-N 299.345 3.907 30 20 CHED C=CCN(CCc1nsc2ccccc12)C(C)C 851731373 OAXMXLXUGODJLX-UHFFFAOYSA-N 260.406 3.735 30 20 CHED CCCn1nccc1/C=C/C(=O)c1cc(C)ccc1OC 853002157 HVKDDWXQBXORNW-VOTSOKGWSA-N 284.359 3.506 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c(C2CC2)cnn1C 853313142 KGUPIBQBJGMVQC-CYBMUJFWSA-N 276.428 3.580 30 20 CHED FC(F)(F)c1ccnc(NN=C[C@H]2CC2(Cl)Cl)c1 853352825 IQAHEXAUMIZZOO-SSDOTTSWSA-N 298.095 3.692 30 20 CHED CC(C)(C)CN(CCC#N)Cn1ncc(Cl)c1C1CC1 853493593 FMPRIHKBIPDQLS-UHFFFAOYSA-N 294.830 3.633 30 20 CHED CCCCC[C@@H](CC)C(=O)NCCc1ccc(C#N)cc1 855225733 SBHMHAGVWZNMIE-QGZVFWFLSA-N 286.419 3.823 30 20 CHED CCCc1ccc(C=NOCc2cccnc2)s1 857212021 QCZUYHCHSLZTEB-UHFFFAOYSA-N 260.362 3.646 30 20 CHED CCCCCCCNC(=O)N1CCC(C(F)(F)F)CC1 858110802 JAURALPCBHZIEJ-UHFFFAOYSA-N 294.361 3.941 30 20 CHED CCCCCc1ccc(C(CC)=Nn2cnnc2)cc1 863950931 WGAZYDNVUPHBDY-UHFFFAOYSA-N 270.380 3.673 30 20 CHED COCCN(Cc1ccc(C)c(C)c1)c1ccc(C#N)cc1 864012621 DKLFBDOXYZQRCO-UHFFFAOYSA-N 294.398 3.828 30 20 CHED COc1ccc(NCc2ncc(C(C)C)s2)cc1C#N 865295824 NKZSKJUPBAHIIY-UHFFFAOYSA-N 287.388 3.759 30 20 CHED CC[C@H](CC#N)NC(=O)/C=C\c1ccccc1C(F)(F)F 867419502 KYADBDDCELOCPK-QDZRJHCZSA-N 296.292 3.527 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccoc1)C1CC1 889094810 OQRIINJKKUSLJM-UHFFFAOYSA-N 259.349 3.539 30 20 CHED C=CCC[C@H](C(=O)NC/C=C\Cl)c1ccccc1 891205080 PCCZFGDOZFWFQH-JOHMGYAOSA-N 263.768 3.605 30 20 CHED C=C1CCC(C(=O)O[C@@H]2CCCC23CCOCC3)CC1 892984558 TVNLTDJDFPTNEK-OAHLLOKOSA-N 278.392 3.625 30 20 CHED C=C1CC(c2noc([C@H]3CCO[C@H](c4ccccc4)O3)n2)C1 896875756 NMDKWJGVKJTZGH-PBHICJAKSA-N 298.342 3.680 30 20 CHED C=C1CCC(C(=O)Nc2cnn(C)c2-c2ccccc2)CC1 897759967 DMSHRWUPNFVAFS-UHFFFAOYSA-N 295.386 3.772 30 20 CHED COc1ccc(C(=O)/C=C/c2cncn2C(C)C)cc1F 901440419 UFYOSBNFTOLHMH-AATRIKPKSA-N 288.322 3.508 30 20 CHED Cc1cc(C(=O)/C=C\c2nc(C)c(C)[nH]2)cc(C)c1F 901480387 MUUJGJBSJSUTGS-WAYWQWQTSA-N 272.323 3.679 30 20 CHED CC(C)(C)OC(=O)NCCS[C@H](C#N)c1ccccc1 901620480 VXUJKZQLQRQJSK-CYBMUJFWSA-N 292.404 3.509 30 20 CHED CCO[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 902983432 ZMHBDKMXLXGUPX-HUUCEWRRSA-N 292.810 3.649 30 20 CHED Cc1ccc2cc([C@H](C)NCC3(C#N)CC3)oc2c1 903105536 DLBZMONEGJGZBJ-LBPRGKRZSA-N 254.333 3.696 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1coc2ccccc12 908647726 KNBNXYDFPSYAAA-HNNXBMFYSA-N 297.354 3.573 30 20 CHED C=C(C)CNc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 915216393 HVYLFDJJCYMRFY-GJZGRUSLSA-N 286.419 3.793 30 20 CHED CCCCCCCC(=O)NCCn1cnc2ccccc21 920300464 XEHBIGZTNJLLLC-UHFFFAOYSA-N 287.407 3.513 30 20 CHED C=CCCOCC(=O)OC1CCC(C(C)(C)C)CC1 920793612 XDHYNLCKJCISJE-UHFFFAOYSA-N 268.397 3.727 30 20 CHED COc1cccc(/C=N/[C@@H](C)CCc2ccccc2)c1O 920942680 OFNMJWSRLBMOAI-ITRAFESCSA-N 283.371 3.841 30 20 CHED N#Cc1sccc1C(=O)OCCC1(C#N)CCCCC1 923566480 NSBYIFLREBDRLU-UHFFFAOYSA-N 288.372 3.641 30 20 CHED C=CCCC[C@H](NC(=O)OC(C)(C)C)c1nc(CC)no1 923775837 BMFNPZVYIRLIRM-NSHDSACASA-N 295.383 3.554 30 20 CHED Cc1cccc2c1[C@@H](NCC1CCC(C#N)CC1)CC2 926357008 RYEDDOFFYTZLFF-DQPZFDDXSA-N 268.404 3.902 30 20 CHED C=CCC[C@@H](CCC)NCc1cc(C2CC2)n(C)n1 927114314 SFUFCJHTJKNYSX-CQSZACIVSA-N 261.413 3.522 30 20 CHED C=C1CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1 930543305 RKGWRAXXDNTFPO-UHFFFAOYSA-N 283.331 3.526 30 20 CHED CCC[C@H]1CCCC[C@H]1NC(=O)CC#Cc1ccccc1 1116272296 ZTFKQBWYOOAMIG-ZWKOTPCHSA-N 283.415 3.903 30 20 CHED C#CCCCCc1nnc(-c2ccc(Cl)cc2OC)o1 1117236973 HSDPBRKXICKNJW-UHFFFAOYSA-N 290.750 3.745 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1cc(F)cc2ccoc12 1122812441 ZEWZFMAIZNXWQX-LBPRGKRZSA-N 275.279 3.667 30 20 CHED C=C(C)CCC(=O)O[C@H](CC)c1ccc(F)cn1 1122990200 VJEAEIUOBNFBGQ-CYBMUJFWSA-N 251.301 3.571 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)[C@H](C)CC1CCCCC1 1123336625 JNIIAEJAHDLDJB-HIFRSBDPSA-N 287.407 3.686 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccsc1C#N 1127151400 YYZWRGPHXPCWGI-UHFFFAOYSA-N 264.394 3.566 30 20 CHED N#Cc1ccc(N2CCN(CC3CCCCCC3)CC2)cc1 1175444783 NSPHMTMIJWASST-UHFFFAOYSA-N 297.446 3.651 30 20 CHED CCC(C)(C)CNc1ncc(Cl)c(C)c1C#N 1186103390 YJMXKHWJOVPSGU-UHFFFAOYSA-N 251.761 3.763 30 20 CHED Cc1cc(C#N)nc(N2CC[C@H](CC(C)(C)C)C2(C)C)n1 1187026117 XBLQLEYXAOLVTD-CYBMUJFWSA-N 286.423 3.698 30 20 CHED CCN(CC1CCC(C(C)C)CC1)C[C@@H](C)C#N 1204827342 TZLAXTQBLPCZRX-FHERZECASA-N 250.430 3.930 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1F 1253612532 OLKXXVDOGDQJTH-ALCCZGGFSA-N 260.264 3.632 30 20 CHED C=C[C@@H](CC)CC(=O)Oc1ccc(-c2noc(C)n2)cc1 1263143589 JMTZQIGDWKFVMV-LBPRGKRZSA-N 286.331 3.553 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc(Cl)ccn1 1263643659 MFHGLOLYXARZIH-LBPRGKRZSA-N 279.771 3.698 30 20 CHED CN(Cc1c(F)cccc1Cl)c1ncc(C#N)cc1F 1306913928 YQERVRXMQLFJMJ-UHFFFAOYSA-N 293.704 3.521 30 20 CHED COc1c(Cl)cccc1NC(=O)CC#Cc1ccccc1 1319117199 IVFCKPUHZSEZNY-UHFFFAOYSA-N 299.757 3.729 30 20 CHED Fc1ccc(CNN=Cc2ccc(Cl)cc2)cc1 1319278153 MGMDLQOFEKEBRP-UHFFFAOYSA-N 262.715 3.603 30 20 CHED C=C[C@@H](COC)N[C@H]1CC=C(c2ccc(F)cc2)CC1 1320313369 TWCFFUPMCCAQIF-IRXDYDNUSA-N 275.367 3.552 30 20 CHED N#CCc1cccc(NC(C2CCC2)C2CCC2)n1 1328650697 YMGOLBYXPNRCED-UHFFFAOYSA-N 255.365 3.528 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 1329033434 AIYSEVKJUHIIJN-MUBLQREKSA-N 297.185 3.767 30 20 CHED CCc1csc(SCc2ccc(C#N)s2)n1 1330322132 AUPDZBPHBRGOHN-UHFFFAOYSA-N 266.416 3.931 30 20 CHED C=C[C@H](COC)N[C@H](CC)c1cccc(Br)c1 1338114316 YWQFSBFRVZMDQR-ZIAGYGMSSA-N 298.224 3.691 30 20 CHED N#CCc1cccc(NCC2(Cc3ccccc3)CCC2)n1 1338244239 SBUYHXJNEZKJQK-UHFFFAOYSA-N 291.398 3.973 30 20 CHED C=C(C)CCC(=O)OCc1nc(C(F)(F)F)cs1 1340668362 KHHGIXXSDXOCIG-UHFFFAOYSA-N 279.283 3.561 30 20 CHED C#CC[C@H](CC)c1nnc(N2CCC(=C)CC2)n1CC(=C)C 1342512815 NZGXXQSLJGCZPC-INIZCTEOSA-N 298.434 3.528 30 20 CHED C[C@H](Sc1ccc(F)cc1)C(=O)O[C@H]1CC[C@@H](C#N)C1 1344489701 OJULTQHZIDQIDH-LOWVWBTDSA-N 293.363 3.542 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1sc(C)nc1C 1345840636 FPZLPKGASTVNNS-GFCCVEGCSA-N 279.409 3.722 30 20 CHED C=C(C)CCC(=O)N[C@@H](c1ccccc1)C(F)(F)F 1347843852 CIOGUJWFOZFRKB-ZDUSSCGKSA-N 271.282 3.763 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 1349109719 KYJGCULCXOAXLV-IXDOHACOSA-N 296.414 3.955 30 20 CHED C=C(CC)C(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1351646730 VDAQDJJJMGYNSM-FUHWJXTLSA-N 269.388 3.881 30 20 CHED N#CCc1cccc(NC(=O)c2cc3cccc(F)c3o2)c1 1521754903 UBFNJNJRKIFIME-UHFFFAOYSA-N 294.285 3.890 30 20 CHED C[C@H]1CCN(C(=O)c2cc(C#N)ccc2F)c2ccccc21 1526751060 SSGVELCDDDRIMO-LBPRGKRZSA-N 294.329 3.851 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2ccc(C#N)cc2F)C1 1529095090 NIDIQKBIEZIQON-CYBMUJFWSA-N 288.366 3.644 30 20 CHED Cc1ccc(N(C)C(=O)c2ccsc2C#N)cc1C 1536157171 MAEBHSLYXAQHLO-UHFFFAOYSA-N 270.357 3.513 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 1537939065 ZUUPVBUKXBWLKM-QGZVFWFLSA-N 298.430 3.859 30 20 CHED CN(CCC#N)C(=O)c1cc2cc(Cl)ccc2s1 1542367790 SDUGHDOMUDNYKH-UHFFFAOYSA-N 278.764 3.540 30 20 CHED CNc1ccc(Cl)c(C(=O)Nc2cc(C)cc(C#N)c2)c1 1557005443 VQPRIOUCAOBEGR-UHFFFAOYSA-N 299.761 3.814 30 20 CHED N#Cc1ccsc1NC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 1563023877 OVKLDMSPOHGSDV-SDDRHHMPSA-N 289.404 3.568 30 20 CHED C=CCCCCCCNCc1ccc(-c2cnn[nH]2)cc1 1575093225 HIVGFHIHWVLLSE-UHFFFAOYSA-N 284.407 3.698 30 20 CHED Cc1cc(NC(=O)CSc2ccc(C#N)cc2)cs1 1587266303 BXJURKWCXGXSDR-UHFFFAOYSA-N 288.397 3.659 30 20 CHED C=CCCCCC[C@@H](C)Nc1cccc(-c2nn[nH]n2)c1 1588594717 ZSFXJGWUZKSAQQ-CYBMUJFWSA-N 285.395 3.804 30 20 CHED C=C(CC)CNCc1ccc(-c2ccc(C(=O)O)cc2)o1 1588606683 DUTRDRYFGMMLJY-UHFFFAOYSA-N 285.343 3.701 30 20 CHED Cc1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)oc1C(=O)O 1610446403 PJHSCMJJZGNDKS-NEPJUHHUSA-N 298.342 3.570 30 20 CHED Cc1ccc(C)c(C2CCN(c3ncccc3C#N)CC2)c1 1640502337 AXYREXFFNDEUBH-UHFFFAOYSA-N 291.398 3.954 30 20 CHED N#CCOc1ccc(CSc2ccc3[nH]ncc3c2)cc1 1641200152 BVTLDPOHJKNJAF-UHFFFAOYSA-N 295.367 3.758 30 20 CHED CCC(C)(C)C(=O)COc1nc(C(C)(C)C)ccc1C#N 1644025762 QGECXQQULZOCDD-UHFFFAOYSA-N 288.391 3.635 30 20 CHED Cc1cccc(F)c1CNc1nc(C#N)c(Cl)s1 1650788893 YTFBFCUVCXNIIG-UHFFFAOYSA-N 281.743 3.728 30 20 CHED Cc1cc(N[C@@H]2C[C@@H]2C2CCCCC2)ncc1C#N 1650804255 XHYZEPWJOLFGNG-HUUCEWRRSA-N 255.365 3.642 30 20 CHED C[C@@H]1CC[C@@H](c2ccccc2)N(c2ccnc(C#N)c2)C1 1651835614 INCAQKOXTFBBHN-KDOFPFPSSA-N 277.371 3.931 30 20 CHED CCC1(C)CN(c2c(Br)cccc2C#N)C1 1651875845 ISSTVZYVOLXVRU-UHFFFAOYSA-N 279.181 3.557 30 20 CHED CN(Cc1ccc(C#N)s1)c1c(F)cccc1F 1652727582 ZBGHPMFIZFULHW-UHFFFAOYSA-N 264.300 3.534 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(CC2(CC#N)CC2)C1 1653461936 XHFCLYRFDOVNMV-CZUORRHYSA-N 272.367 3.902 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(CCC(C)(C)CC)C1 1776153048 FUHFSTDCEBPMIX-INIZCTEOSA-N 267.413 3.556 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(Cc2ccc(Cl)c(C)c2)C1 1776161684 YSVUOCKUANPWBP-MRXNPFEDSA-N 293.794 3.501 30 20 CHED C=CCCCCCN1CCc2c(C)cccc2[C@@H]1C(=O)O 1776174421 SJQQVPWRINBXFX-QGZVFWFLSA-N 287.403 3.725 30 20 CHED C=CCCC[C@H](NCc1ccccc1C(F)F)C(=O)O 1776207336 SCGFKSVUPQCRPD-ZDUSSCGKSA-N 283.318 3.523 30 20 CHED CCCCCCC[C@H](CC(=O)O)NCc1ccc(OC)o1 1776784277 ZVBKYJDBPAZCHB-CYBMUJFWSA-N 297.395 3.582 30 20 CHED N#Cc1ccc(C(=O)OCc2ccccc2Cl)cc1 3474479 LANAGLWDEWHQLB-UHFFFAOYSA-N 271.703 3.569 30 20 CHED C#CCCCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 3634158 ZLWCFYKRUBXKGM-LBPRGKRZSA-N 269.310 3.639 30 20 CHED COc1ccc(NC(=S)NN=C2CCC(C)CC2)cc1 6299347 VHOVXZLIAIQEHW-UHFFFAOYSA-N 291.420 3.548 30 20 CHED O=C(/C=C\c1ccc(Br)cc1)c1ccncc1 116046346 CXVPKJYBKLULNN-UTCJRWHESA-N 288.144 3.740 30 20 CHED N#C[C@H](Sc1ncc2ccccn12)C1CCCCC1 115186036 LGGALPCLEWSTPF-AWEZNQCLSA-N 271.389 3.899 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1C#N 64915412 ZDRNWHPFOOZIRI-NSHDSACASA-N 299.305 3.649 30 20 CHED C=CCOCCCC(=O)Oc1c(Cl)cccc1Cl 175056328 UNOOGIFJTFPVMM-UHFFFAOYSA-N 289.158 3.882 30 20 CHED CCN(CCc1cccs1)Cc1ccc(C#N)cc1F 63755668 JAEILDQEKZDXCU-UHFFFAOYSA-N 288.391 3.823 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCC2(C)C)cc1 175868050 LBIFCFGWJQDUOO-XJKSGUPXSA-N 272.392 3.646 30 20 CHED CC(C)(C#N)c1ccc(Nc2c(C#N)cccc2C#N)cc1 302767427 AOQMCFQGWIKZAO-UHFFFAOYSA-N 286.338 3.975 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1cc(C)sc1C 116940210 ZPHPZZRMEROVCM-ONGXEEELSA-N 266.410 3.690 30 20 CHED C/C(=C\C(=O)O[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 179992178 QMDYKBVFTSESBU-WKHXAAGLSA-N 289.762 3.979 30 20 CHED C[C@H](CC(C)(C)c1ccccc1)Nc1ccc(C#N)nn1 302003867 RPLAISQBFKROCM-CYBMUJFWSA-N 280.375 3.517 30 20 CHED N#Cc1cccc(SCC(=O)c2ccc(F)cc2)c1 177100280 QTPYYBOUMWGBTK-UHFFFAOYSA-N 271.316 3.672 30 20 CHED N#Cc1c(F)cccc1Oc1nc2ccccc2o1 301813746 CKEGCPIVBHROAE-UHFFFAOYSA-N 254.220 3.631 30 20 CHED N#Cc1ccc(NCCc2ccccc2OC(F)F)cc1 302746296 FHRDAVPCECWARS-UHFFFAOYSA-N 288.297 3.814 30 20 CHED N#Cc1ccc(NCCc2cccs2)c(Cl)c1 62790789 HNZFRDGGOPEEJI-UHFFFAOYSA-N 262.765 3.928 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(-c2ccn[nH]2)c1 176941237 YFKNCFLIBJMBCQ-UHFFFAOYSA-N 281.359 3.784 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 119119985 LWZXJFQUUQGNCZ-VXGBXAGGSA-N 299.336 3.965 30 20 CHED C=CCCC(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 170665580 IOSRGEBQRLMYNI-UHFFFAOYSA-N 271.364 3.765 30 20 CHED N#Cc1cccc(Cl)c1N[C@@H]1CCC[C@H]2OCC[C@H]12 301680093 URDMUKOPLGSERA-MRVWCRGKSA-N 276.767 3.581 30 20 CHED C=C[C@@H](CC(=O)N1CCn2cccc2[C@@H]1C)c1ccccc1 179444176 AMUYSMMJOPVXMN-HOTGVXAUSA-N 294.398 3.751 30 20 CHED C=CCN(CC=C)Cc1ccc(SC)c(OC)c1 69221150 QPSYUJGWGVEMAT-UHFFFAOYSA-N 263.406 3.591 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccc(O)cc1 33472146 JXLLYTXAASRALG-KMKOMSMNSA-N 290.265 3.890 30 20 CHED CCC1(CNC(=O)N(C)Cc2ccc(C#N)cc2)CCCC1 127635908 JYFCWJRPLRHXPU-UHFFFAOYSA-N 299.418 3.670 30 20 CHED C=CCN(CC=C)C(=O)c1cc(CCC)c(C)s1 121183846 YTFCXHRTBKKPDD-UHFFFAOYSA-N 263.406 3.823 30 20 CHED CCC1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 125342997 NPBUMUBCOIXHOV-UHFFFAOYSA-N 285.435 3.658 30 20 CHED C=CCOc1cccc(CN[C@@H](C)[C@](C)(OC)C2CC2)c1 414495829 CHRUBYNLSCQTTM-KSSFIOAISA-N 289.419 3.545 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)[C@@H]1C 416121774 WLUMEONVNZVNCX-MGPQQGTHSA-N 284.403 3.604 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCc1cccc(F)c1 128277975 MJYTXXHQTKZQFW-CYBMUJFWSA-N 293.407 3.648 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)cc2F)c(C)c1 77166853 KSLXTYPGMOZYBT-UHFFFAOYSA-N 283.302 3.787 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@@H]2SCC)CCC1 188856055 XWYUXIDFPVBKJC-STQMWFEESA-N 267.438 3.523 30 20 CHED CCC(CC)c1cc(CN[C@H]2CCC[C@@H](C#N)C2)on1 185844511 KTLJKXPFAMEIOY-OCCSQVGLSA-N 275.396 3.750 30 20 CHED CC(C)CO[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 411318172 POTGZEAUWXBVFR-MRXNPFEDSA-N 278.440 3.597 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(N(C)CCCC)cc1 180401976 MBWXRVAWANXSNE-UHFFFAOYSA-N 274.408 3.571 30 20 CHED CCOc1ccc(CNc2cccc(CC#N)c2)cc1OC 313473066 FIZCQJMDJAXDBQ-UHFFFAOYSA-N 296.370 3.772 30 20 CHED C#CC(C)(C)N(C)Cc1nc(-c2cccs2)oc1C 286177938 OZMNCWWFRDOKFX-UHFFFAOYSA-N 274.389 3.555 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCc2cccnc2)c1 185151985 SZLFXIZZMYFCMN-UHFFFAOYSA-N 291.276 3.627 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H](C)[C@H](C)CC 507301207 JVBVJSYGVZOVBY-KGLIPLIRSA-N 266.429 3.847 30 20 CHED C[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 125585821 QCKZOOXJEONJTH-UONOGXRCSA-N 278.355 3.539 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1c1ncc(C#N)cc1F 413275028 USNKFXNVQRYOLI-CZUORRHYSA-N 295.361 3.865 30 20 CHED Cc1cnc(OCCC2(C#N)CCCCC2)c([N+](=O)[O-])c1 413002482 USRZRUFJNRPUQZ-UHFFFAOYSA-N 289.335 3.541 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(OC)c(F)c2)CCC1 189284232 MYNZCCMYTHVPIS-UHFFFAOYSA-N 277.339 3.544 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@](C)(C=C)CC 187867413 GZSAHNNWASFKAZ-GOSISDBHSA-N 282.387 3.675 30 20 CHED Cc1occc1CN1CCC(Oc2cccc(C#N)c2)CC1 414374289 UUWOPZMZFXHSNB-UHFFFAOYSA-N 296.370 3.503 30 20 CHED COc1cccc(CSc2cccc(F)c2C#N)c1 507038811 OZJKBQSFCIEKJO-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=CCN(CCc1ccco1)[C@H](C)c1ccc(C#N)cc1 411487472 MTQAGTYFUXWZBE-OAHLLOKOSA-N 280.371 3.943 30 20 CHED CCc1ccc(CC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 133994542 NXOQKHRMZSEODE-CQSZACIVSA-N 292.382 3.541 30 20 CHED Cc1ccoc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 75300079 NFTLYTKRKBBTTB-CVEARBPZSA-N 294.354 3.500 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(N(C)CCC)cc1 410146897 DSYJOCBYADZWOA-OAHLLOKOSA-N 274.408 3.617 30 20 CHED CCN(Cc1ccc(Br)cc1C#N)CC(C)C 379756815 WWUZEFUXKIHPLQ-UHFFFAOYSA-N 295.224 3.799 30 20 CHED C=C(C)CCN(C)Cc1cc(Cl)ccc1OC 509848244 HLLLDZUKBOWXNT-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C=CC[C@@H](C(=O)N(CC)CC1CC1)c1ccccc1 187925390 JEPLOLUFDWASCF-MRXNPFEDSA-N 257.377 3.605 30 20 CHED C=CCOc1ccccc1-c1nc(-c2ccccc2)no1 504286873 WQMSLQRPEMLOIS-UHFFFAOYSA-N 278.311 3.968 30 20 CHED COc1ccc(-c2noc(-c3cccc(C#N)c3)n2)cc1C 320321690 SIIMCEDTNPRMFF-UHFFFAOYSA-N 291.310 3.592 30 20 CHED C=C(Cl)CNC(=O)c1cc(F)c(Cl)cc1Cl 134808959 HIVNNWLQCXFSOK-UHFFFAOYSA-N 282.529 3.615 30 20 CHED CCCCCCCCC(=O)NCCc1ccncc1C 131562172 GVVKRZMQYNTTFP-UHFFFAOYSA-N 276.424 3.799 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccn1 43180924 ITVFEWLMZNAEEM-HNNXBMFYSA-N 295.386 3.540 30 20 CHED CC1(C#N)CCC(NC[C@@H]2C[C@H]3C=C[C@H]2CC3)CC1 421350050 KHBZQZKZHAIJPH-OLGJIQAVSA-N 258.409 3.651 30 20 CHED CCCCCCC[S@@](=O)Cc1noc(C(C)(C)C)n1 133326751 BLJVFFVKPCTIQX-IBGZPJMESA-N 286.441 3.586 30 20 CHED CC(C)c1csc(C/N=C(/O)[C@H]2CCC(=O)[C@H](C)C2)n1 328936748 JOHNCVKUDFCJHX-MNOVXSKESA-N 294.420 3.728 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)[C@@H](C)c1ccc(F)cc1 46644772 DJOSXENGSZXLOA-ZDUSSCGKSA-N 296.345 3.921 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)Cc1ccc(Cl)s1 193630350 WSLRHDFRSADVAA-UHFFFAOYSA-N 298.839 3.732 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1)C(C)(C)C 517937717 OGLSZSLXQGKPHY-CYBMUJFWSA-N 259.353 3.504 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2cc(F)ccc21 190990688 CUOVFBCFFOTYJE-ZBFHGGJFSA-N 261.340 3.532 30 20 CHED Cc1ncc(COc2c(C)cc(C#N)cc2C)s1 88154858 VTNPGDNPJSFTKL-UHFFFAOYSA-N 258.346 3.519 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H](C)c2ccccc2F)n1 339588972 NKGFLBRAZBXZFK-SNVBAGLBSA-N 287.363 3.958 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC1(Cc2ccccc2)CC1 425931123 ZUIIHOPPNNVXSO-KRWDZBQOSA-N 298.430 3.759 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc(Oc3ccccc3)o2)C1 424204300 VIQCDUIKZNKCNB-KGLIPLIRSA-N 282.343 3.854 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](C)c2ccc(F)cc2)n1 513188565 PVGOEZNKRHCQOH-LBPRGKRZSA-N 283.350 3.925 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc(F)c(Cl)c1 429778668 FOICFQXGEYPOAY-JTQLQIEISA-N 266.747 3.824 30 20 CHED CC(C)C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424980743 WQCQCSVMZPBQKR-UAGQMJEPSA-N 284.403 3.625 30 20 CHED CC(C)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cn1 335843552 URMXMULBIMMIEA-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CCc1ccc(CC)c(NC(=O)N[C@H]2CCC[C@H]2C#N)c1 334035373 LBRZMHNJVQGLHV-GJZGRUSLSA-N 285.391 3.625 30 20 CHED COc1ccc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)cc1Cl 331297550 SSKPZGWJRBYMCB-VHSXEESVSA-N 282.771 3.863 30 20 CHED C=C(C)C[C@H](C)c1nc(-c2ccnc(N3CCCC3)c2)no1 515306929 KJFQJPPDMKXBPA-ZDUSSCGKSA-N 298.390 3.802 30 20 CHED CSc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1 334443159 CSGQHWJKVKFQTN-UHFFFAOYSA-N 289.404 3.566 30 20 CHED Cc1noc(C)c1CN[C@@H]1CCCCc2cc(C#N)ccc21 336545142 MJSDIZSPZHAHGN-GOSISDBHSA-N 295.386 3.720 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H]2F)c(C(F)(F)F)c1 339589708 JFSBOGYTANJOFD-STQMWFEESA-N 286.272 3.557 30 20 CHED CSC1(C(O)=Nc2cccc([C@@H]3CN=C(O)C3)c2)CC1 330011232 IQEMTEXKJAOENI-NSHDSACASA-N 290.388 3.614 30 20 CHED C[C@H](Sc1cc(C#N)ccn1)c1ccccc1F 337367066 OMJDYUKIDVPYIX-JTQLQIEISA-N 258.321 3.946 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425114255 SKNQIFWAFLIDKK-UNEWFSDZSA-N 284.403 3.904 30 20 CHED Cc1ccc(C[C@H](C)Nc2snc(C)c2C#N)s1 92912597 HFGSGVMVGOZOSC-QMMMGPOBSA-N 277.418 3.736 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc(SC)ccc1Cl 339170529 XSDLOODZKSTHFO-SNVBAGLBSA-N 296.823 3.826 30 20 CHED N#CCN(Cc1cnc(C2CCC2)s1)C1CCCC1 93563406 VGYPGQVOYPDGOW-UHFFFAOYSA-N 275.421 3.679 30 20 CHED O/C(CCc1ccncn1)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 330230703 QSAOOJKOCROXSL-SQWLQELKSA-N 287.407 3.725 30 20 CHED N#Cc1c(Cl)cccc1N1CC[C@H](c2cccnc2)C1 335397682 PRPBWKZODJCROC-ZDUSSCGKSA-N 283.762 3.601 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N(C)CC2CCCC2)c1C 331101243 CYQSXFBJZLWARY-LBPRGKRZSA-N 292.427 3.830 30 20 CHED C[C@H]1SCC[C@H]1Nc1ccc(Br)cc1C#N 235656501 YUVJMXXWPYXTBN-LDYMZIIASA-N 297.221 3.627 30 20 CHED CC[C@@H](c1ccccc1)N(CC)C(=O)NCC(C)(C)C#N 512913671 WQGXKTVRJIYJLW-HNNXBMFYSA-N 287.407 3.719 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 336245184 LSGDXOSRNASTCV-LKFCYVNXSA-N 297.185 3.502 30 20 CHED CC[C@@H](CNCc1cccc(C#N)c1)Oc1cccc(C)c1 236990413 RJDQGYOTXMCCAA-SFHVURJKSA-N 294.398 3.814 30 20 CHED C=CCCCC(=O)N1CCC[C@@]2(CCc3ccccc3O2)C1 529904742 CPJTYTRPCDTICV-LJQANCHMSA-N 299.414 3.729 30 20 CHED N#CCCCNCc1cccc(Oc2ccccc2)c1 344297844 DGTLLGSXJBHNCV-UHFFFAOYSA-N 266.344 3.872 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)CCC#N 345907222 MYFMVMKSRQUSOW-JKSUJKDBSA-N 284.403 3.545 30 20 CHED C=C(C)COc1cc(CN[C@@H]2CC[C@@H](C)C2)ccc1OC 436415014 TVRGYNALUSBPLW-GDBMZVCRSA-N 289.419 3.928 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(C#N)c1C 431715314 ZIBSLBOYLJNLFD-SMDDNHRTSA-N 271.364 3.519 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccccc1F 248025654 VZSHBCFUIJRNIF-UHFFFAOYSA-N 296.345 3.748 30 20 CHED Cc1cocc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 602357990 RKDJJWAGVHSSIP-UHFFFAOYSA-N 280.327 3.659 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCSc3ccccc32)C1 349340389 GYIAVVIAFIOQLR-YRGRVCCFSA-N 258.390 3.505 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cn1 342810005 NGVCJSPSJYMIDK-GFCCVEGCSA-N 297.789 3.947 30 20 CHED COc1cc(NCC#Cc2ccc(F)cc2)ccc1Cl 432700369 TZIAHKFKPCRESA-UHFFFAOYSA-N 289.737 3.951 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1cccc(OCC)c1 529200888 UYZCMKOTWYXPAG-INIZCTEOSA-N 287.403 3.585 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1cccnc1 346979588 MGWCBNJFDZAISW-QGZVFWFLSA-N 297.789 3.944 30 20 CHED N#Cc1csc(/C=C\c2nc3ccccc3o2)c1 255133259 CMEMICLUYDBVAB-WAYWQWQTSA-N 252.298 3.931 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(C)c1-c1ccccc1 346447788 FJRDKNWVXSRKRZ-UHFFFAOYSA-N 295.386 3.794 30 20 CHED CC1=C(C(=O)N(CCC#N)CC2CC2)CCC(C)(C)C1 448908864 GYDJFPITXKBFLT-UHFFFAOYSA-N 274.408 3.665 30 20 CHED Cc1ccc(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(C)c1 448283795 NSPKIDNZQOFYSI-RBUKOAKNSA-N 298.430 3.731 30 20 CHED Cc1cccc(C(C)(C)NC(=O)Nc2ccc(C#N)cc2)c1 609902551 KWVJIXUIDKNITM-UHFFFAOYSA-N 293.370 3.924 30 20 CHED C[C@H]1[C@H](C)CCCN1c1ccc(C(F)(F)F)c(C#N)n1 443513919 YIMKZDUOGXXQNP-ZJUUUORDSA-N 283.297 3.597 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C1=CCCCC1 527107224 PLXZOTRTJVGZKW-ZWKOTPCHSA-N 294.398 3.785 30 20 CHED CC[C@H](C#N)SCCCCS[C@@H](C#N)CC 355945117 SCYYDPXFXXIPOO-VXGBXAGGSA-N 256.440 3.837 30 20 CHED CCOc1cccc(/C=N\[C@@H]2CCC[C@H](SC)C2)c1O 255292730 QQWWBWASQFULGJ-COEKHNBSSA-N 293.432 3.884 30 20 CHED C=CCC1(C(=O)Nc2ccc(CN(C)C)cc2)CCCC1 449255645 FUITUBJDTCYIMN-UHFFFAOYSA-N 286.419 3.823 30 20 CHED CCC(=O)c1ccc(C(F)(F)F)cc1OCCC#N 357450122 HAGMEKZIZDQFNJ-UHFFFAOYSA-N 271.238 3.591 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)NCC#Cc1ccccc1 604739037 COHUZNJDDUATKD-QGZVFWFLSA-N 291.394 3.657 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCCc3occc32)CC1 354302040 PNSJSKWLTAJROA-CYBMUJFWSA-N 259.349 3.520 30 20 CHED CCOc1ccc(CNc2ccccc2C#N)cc1F 357940051 HTXVQZUMQQIIMI-UHFFFAOYSA-N 270.307 3.708 30 20 CHED Cc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1C 269641388 XRINUWMPEZSJGE-UHFFFAOYSA-N 276.383 3.954 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2CF)c(C(F)(F)F)c1 354520659 LFGADUNYKGDFLV-GFCCVEGCSA-N 286.272 3.511 30 20 CHED CC(C)(CCNC(=O)c1cccc(C#N)c1)c1ccccc1 604376799 VCUTYXHADQBDLE-UHFFFAOYSA-N 292.382 3.656 30 20 CHED CC1(C)CC[C@@H](NC(=O)c2cccc(SCC#N)c2)C1 351551086 RZNAXWBZEHKWID-CYBMUJFWSA-N 288.416 3.611 30 20 CHED C[C@@H](CN(CCC#N)CC1CC1)c1cc(F)cc(F)c1 449023468 QVTJJOJLPZODNK-LBPRGKRZSA-N 278.346 3.694 30 20 CHED CCCNc1ccccc1NC(=O)c1ccc(C#N)s1 359855894 MZVWMHTVHXVXFJ-UHFFFAOYSA-N 285.372 3.694 30 20 CHED CC(C)Sc1ccccc1C(=O)N(C)CC(C)(C)C#N 353269938 CWIRNWNZTZZYMI-UHFFFAOYSA-N 290.432 3.809 30 20 CHED CCN(CC)C[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1 530714365 QBSBZRNIABRXTP-RTBURBONSA-N 299.462 3.548 30 20 CHED C=CCOc1cccc(CN2CCS[C@@H](C)[C@H]2C)c1 353841641 FGJCYWXBZKFHRT-KGLIPLIRSA-N 277.433 3.577 30 20 CHED C=CCOCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 440863540 XJUDNKCZTCKOQF-QFQMRYFISA-N 299.414 3.674 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cc(CC)ccc1O 530588554 RKHRQPCXASHBET-UHFFFAOYSA-N 297.354 3.772 30 20 CHED C[C@H](NC(=O)NC1[C@H](C)CCC[C@H]1C)c1cccc(C#N)c1 610484889 AHIYHJNMZNNXOC-MCIONIFRSA-N 299.418 3.743 30 20 CHED CCCC[C@@H](CC)C(=O)NCC(C)(C)CCC#N 359760199 ZWIWBWWISFYINV-CYBMUJFWSA-N 252.402 3.649 30 20 CHED C=CCCCCN[C@H]1CCc2cc(OC)c(OC)cc21 358978658 CRTZOOWAPOQVDO-HNNXBMFYSA-N 275.392 3.637 30 20 CHED C=CCN(C(=O)CC[C@H](C)SC)c1ccccc1 358919591 NGKOCGYAEWPHGI-ZDUSSCGKSA-N 263.406 3.737 30 20 CHED CC(C)(C#N)c1c[nH]c2cc(Br)ccc12 2332239885 XZPNIOVYKMDALG-UHFFFAOYSA-N 263.138 3.732 30 20 CHED C=CCCCN1CC[C@@H](Oc2ccccc2Cl)C1 443638683 DZXHKWAJYWAAQC-CYBMUJFWSA-N 265.784 3.759 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1ccc3ncccc3c1)CC2 353624900 GCTWMLSCRSBMFU-FQEVSTJZSA-N 299.377 3.884 30 20 CHED Cc1noc([C@@H](C)SCCCC(C)(C)C#N)n1 610798047 ZHBCNJXTLIWCRK-SECBINFHSA-N 253.371 3.502 30 20 CHED CCOc1ccc(CN(C)Cc2cccc(C#N)c2F)cc1 352876679 OKVUKOJHNFVEBK-UHFFFAOYSA-N 298.361 3.728 30 20 CHED Cc1nnc(NCc2ccc3sccc3c2)c(C#N)c1C 357596141 KVBPBJUOGJWCDY-UHFFFAOYSA-N 294.383 3.792 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)c2cc(C#N)[nH]c2C)c1 448791029 LSEHLZIZHKWLEC-NSHDSACASA-N 297.358 3.624 30 20 CHED N#CCCCCN[C@H]1CCc2cc(Br)ccc21 268843889 FYBMGVSXODYCBU-AWEZNQCLSA-N 293.208 3.720 30 20 CHED CN(C(=O)CCCC#N)C1c2ccccc2-c2ccccc21 360348289 VLHZFXAACKESHT-UHFFFAOYSA-N 290.366 3.909 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)[C@H]2CCCO2)CCCCC1 450245656 PHAUMLCEPRLKJR-LSDHHAIUSA-N 279.424 3.587 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 614374535 YZBVESODTNEVMP-SJORKVTESA-N 287.403 3.521 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CCCCC1 450170359 DFMFIZKEVJIINM-OAGGEKHMSA-N 291.435 3.587 30 20 CHED C=CCOc1cccc(CN2C[C@H](C)S[C@H](C)C2)c1 536655911 YWPBTLAUXPOEOD-OKILXGFUSA-N 277.433 3.577 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1OCCF 455724494 PBAKPZLQRCECEZ-CYBMUJFWSA-N 292.354 3.607 30 20 CHED CC1(C#N)CCN([C@@H]2CCCc3ccc(F)cc32)CC1 272535961 IYKIABIMYAHFEU-MRXNPFEDSA-N 272.367 3.829 30 20 CHED C=C[C@H](Cc1nc(-c2cc(C)ccn2)no1)c1ccccc1 546294589 HWJNPNXGACNXIZ-CQSZACIVSA-N 291.354 3.952 30 20 CHED CC(C)[C@@H]1N(C(=O)c2cccc(C#N)c2)CC12CCCCC2 458188228 MEDQAWMWYQATKP-KRWDZBQOSA-N 296.414 3.989 30 20 CHED CCn1ccnc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 453369591 VDQDTXCUEZQQDM-GUYCJALGSA-N 294.402 3.503 30 20 CHED Cc1cccc(NC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 278636596 OQCGROQJVMKHDO-QAPCUYQASA-N 283.419 3.564 30 20 CHED CCCC[C@H](C)C(=O)N[C@](C)(C#N)C1CCCCC1 548828510 GKOXQEDLOXHCEC-XJKSGUPXSA-N 264.413 3.791 30 20 CHED C=CCC[C@@H](C(=O)OCc1cncs1)c1ccccc1 275003036 DHOOHUQRDYGBEI-OAHLLOKOSA-N 287.384 3.936 30 20 CHED Cc1ccc([C@H]2CCCCCN2C(=O)NCCCC#N)o1 273162776 CSIOXUNHHRYENE-CQSZACIVSA-N 289.379 3.519 30 20 CHED N#C[C@H](NC(=O)C1=CCCCC1)c1ccc(Cl)cc1 275616815 NYWNHADJXMCOHI-AWEZNQCLSA-N 274.751 3.521 30 20 CHED CCSCC[C@H](C)N(C)c1nc(C)c(C#N)cc1Cl 360081889 IDCAQJMXDSCAPF-JTQLQIEISA-N 297.855 3.883 30 20 CHED CCCc1nsc(N(CCC#N)CC(CC)CC)n1 360081895 IDTMIHYMBNEKBG-UHFFFAOYSA-N 280.441 3.647 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NCc1cccc(C#N)c1 543440358 GKEQMMCGEJLKPQ-ZDUSSCGKSA-N 272.392 3.637 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1cccc(C2CC2)c1 454537515 WSXKUDDQWZUZRO-QWHCGFSZSA-N 272.392 3.889 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc2ccn(C)c12 455262724 XLUKGRUYVPBCRG-UHFFFAOYSA-N 271.364 3.512 30 20 CHED C=CCCOCC(=O)Nc1ccc2c(ccn2CCC)c1 622896472 NXOPNZDKCBGHNX-UHFFFAOYSA-N 286.375 3.583 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2C[C@H]2c2sccc2C)c1 456969177 QDTAZXNTIPCNIN-CABCVRRESA-N 296.395 3.979 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1CC1(C#N)CCC1 451189875 RWOMAMXOOOFZHW-HLLBOEOZSA-N 268.404 3.947 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C)c(OC)c1C)OCC 270053938 RVVSJYWPIGFPAS-HNNXBMFYSA-N 291.391 3.622 30 20 CHED C=CCN(C(=O)C(CC)(CC)c1ccccc1)C1CC1 541596692 GQDBXCYODUIHTQ-UHFFFAOYSA-N 271.404 3.921 30 20 CHED CC(C)(C#N)CCN1CCCC[C@@H]1[C@H](O)c1ccccc1 363468736 MHYIJVZUGHCXGN-IAGOWNOFSA-N 286.419 3.514 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC)c1ccc(Cl)s1 540393136 FCVHRGBSNIKWGN-GHMZBOCLSA-N 273.829 3.627 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1c(F)cccc1F 274239267 VMJSNJYRWHCENV-TUAOUCFPSA-N 264.319 3.698 30 20 CHED Cc1c(Cl)cnc(N2CCC(C(C)C)CC2)c1C#N 542209214 FMTFAMORLWTGOF-UHFFFAOYSA-N 277.799 3.788 30 20 CHED CCN(CCC#N)Cc1nc(C2CCCCC2)cs1 277682613 KQFODCIOIBSFLC-UHFFFAOYSA-N 277.437 3.926 30 20 CHED C[C@H](CC#N)N(C)Cc1nc(C2CCCCC2)cs1 277728248 NVYBLULRSGXALR-GFCCVEGCSA-N 277.437 3.925 30 20 CHED C#Cc1cccc(NCc2cnc([C@H]3CCCO3)s2)c1 274311420 QRBAABDMUDONLQ-OAHLLOKOSA-N 284.384 3.588 30 20 CHED CC#CCCCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 466597647 HKHQBDAJFZVACJ-UHFFFAOYSA-N 297.402 3.993 30 20 CHED CC#CCN[C@H](c1ccccc1)c1cccc(F)c1 540618618 XALBJHLGYSCUGE-QGZVFWFLSA-N 253.320 3.528 30 20 CHED CN(Cc1ccccc1Br)[C@@H]1CC[C@H](C#N)C1 278524215 CYBORFOGMAROIO-WCQYABFASA-N 293.208 3.573 30 20 CHED Cc1cc(N[C@@H](C)c2cccc(Cl)c2)nn1CCC#N 271010859 JQKNFNWRBDMDME-LBPRGKRZSA-N 288.782 3.932 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccc(Cl)cc1 276159988 RJWFMZFSSVJFAD-LLVKDONJSA-N 266.772 3.619 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1cccc(OCC)c1 626370392 LTZISVVLWPSQIV-HNNXBMFYSA-N 289.419 3.879 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cccc(C)c1 280652031 OFPGYZDWHHABAO-PVAVHDDUSA-N 259.393 3.627 30 20 CHED C=CCOc1ccc(CNCc2sccc2OC)cc1 285522258 KJPXWZKAPXOVPP-UHFFFAOYSA-N 289.400 3.611 30 20 CHED C=C[C@@H](CC(=O)Nc1cc2n(n1)CCCC2)c1ccccc1 286320047 XUWKKYZLVCMYEL-AWEZNQCLSA-N 295.386 3.518 30 20 CHED CC[C@@H](C)CSCC(=O)Nc1ccc(C#N)c(Cl)c1 464800855 YMDAACXFQLEANZ-SNVBAGLBSA-N 296.823 3.929 30 20 CHED C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccc(C#N)cc1 284212033 SSJGNSTWOZIJTO-ORAYPTAESA-N 292.382 3.992 30 20 CHED C=CCNC(=O)N1CCc2cc(-c3cccc(F)c3)ccc21 463964073 LGIWEIBLHZBRLU-UHFFFAOYSA-N 296.345 3.751 30 20 CHED C/C(=C\c1ccccc1OC(F)F)CNCCCC#N 289400422 AEGHELRKVAJFOU-ZRDIBKRKSA-N 280.318 3.585 30 20 CHED C=CCCCCCCNC(=O)N(C)[C@H](C)c1cccnc1 287176050 DRMZSSMQXFBCFK-OAHLLOKOSA-N 289.423 3.921 30 20 CHED CC(C)(C#N)Cc1nc(Cc2cccc3ccccc23)no1 289100748 VMCQJQOZFOGXEI-UHFFFAOYSA-N 291.354 3.906 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@H]1CCc2ccccc2C1 467535578 AFKFHASKXURNHJ-SFHVURJKSA-N 283.415 3.771 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(Cc2ccc(F)cc2)CC1 467979601 BPVOBFFKJDATGP-QGZVFWFLSA-N 289.394 3.867 30 20 CHED CC[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccncc1 286021040 AKOOQTCKFUBFFS-SECBINFHSA-N 278.768 3.626 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(N3CCCC3)cc2)no1 288966488 BAHLHTLAZXYTOY-QGZVFWFLSA-N 296.374 3.528 30 20 CHED C=CCCCN1CCCn2c(cc3ccccc32)C1 558169528 KVWBAZZTRCPEJF-UHFFFAOYSA-N 254.377 3.813 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2cc(C#N)c3ccccc3n2)C1 554775595 DRPMLMBISUZFOB-QWHCGFSZSA-N 293.370 3.871 30 20 CHED C=CCOc1cccc(NC(=O)C2(OCC)CCCC2)c1 551554190 GKRMAPCLIUPEGZ-UHFFFAOYSA-N 289.375 3.539 30 20 CHED CC#CCCCC(=O)Nc1cc(C)c(F)cc1Cl 554756813 CGRFISVZXIBWTA-UHFFFAOYSA-N 267.731 3.920 30 20 CHED Cc1ccc2ncc(C#N)c(OCC3CCC(=O)CC3)c2c1 291561885 COINUEMLBCRVKL-UHFFFAOYSA-N 294.354 3.553 30 20 CHED C=CCn1c(SCSC)nnc1-c1ccc(C)cc1 292754432 WATPXVJVAKWYHL-UHFFFAOYSA-N 291.445 3.852 30 20 CHED C[C@@H](O)CCCSc1nc(-c2ccccc2)ccc1C#N 475969760 BCMKNSKXKOHRCQ-CYBMUJFWSA-N 298.411 3.873 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc(CCO)cc1OC 567200860 ZXERPYZLZNKKKI-OAHLLOKOSA-N 277.408 3.777 30 20 CHED C[C@@H](CCOCc1ccccc1)/N=C\c1ccccc1O 806552316 RGPRKINFBQRAAB-CCNLRRDASA-N 283.371 3.807 30 20 CHED N#Cc1ccc(SCc2ccc([N+](=O)[O-])cc2F)cc1 476480306 IYFRXQQWQHYLGF-UHFFFAOYSA-N 288.303 3.898 30 20 CHED CC#CCCCC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 648503525 AIFXJVULUSXNHZ-OAHLLOKOSA-N 295.386 3.625 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC[C@H]1C 476814120 KETBWMJMGQSPPI-DOMZBBRYSA-N 285.391 3.815 30 20 CHED C#CCOc1ccccc1-c1noc(C2CC(C)(C)C2)n1 809394952 DKBYZDXXRJFSFE-UHFFFAOYSA-N 282.343 3.652 30 20 CHED N#CCCCC(=O)N1CCCc2cc(C(F)(F)F)ccc21 292047719 ZYWHPOATVIMPPR-UHFFFAOYSA-N 296.292 3.678 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](C)c1ccc[nH]1 805237904 HVWJVZNYGLRULZ-ZDUSSCGKSA-N 263.385 3.511 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc2ccccc2c1O 816599021 ZKQWTZWELHYJGN-VQIMIIECSA-N 297.398 3.616 30 20 CHED C=CCN=c1[nH]nc(S[C@@H](C)c2ccccc2C)s1 487213113 XFJVFWLKWKTHQC-NSHDSACASA-N 291.445 3.720 30 20 CHED CCCCc1nc(C=NOC/C=C/Cl)c(Cl)[nH]1 811668754 JPFFQRTWBFMGNC-BVLHRVRXSA-N 276.167 3.509 30 20 CHED Cc1cnc(CN[C@@H](C)c2ccc(C#N)cc2Cl)s1 565459227 QTOBHADOTZSZAF-JTQLQIEISA-N 291.807 3.827 30 20 CHED C=CCCCC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 480011458 HBIXZKHJWZUATO-NVXWUHKLSA-N 271.404 3.822 30 20 CHED C#C[C@@H](NCc1ccc(CC)o1)c1ccc(Cl)cc1 811517453 SWGNYZMLIOWQDS-MRXNPFEDSA-N 273.763 3.960 30 20 CHED C=CCCN[C@H](C)CC(=O)Nc1ccc(C)cc1Cl 658117673 YOVLNPCCFBVJPX-GFCCVEGCSA-N 280.799 3.531 30 20 CHED Oc1cccc2c1CCC2=NNc1cccc(Cl)c1 812379611 WRQKQCPDQQLICD-UHFFFAOYSA-N 272.735 3.808 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](CC)OC)cc1 810260529 LHPXQQRJFGYCGM-UKRRQHHQSA-N 297.826 3.894 30 20 CHED C#C[C@@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 811949126 PZIGOLZTPUNUSY-OAHLLOKOSA-N 288.778 3.605 30 20 CHED C=CCCCCCCCNC(=O)N[C@H](C)[C@H]1CCCOC1 811901344 AEEYRUTWUZFBCM-CVEARBPZSA-N 296.455 3.627 30 20 CHED CCN(Cc1ccc(C#N)cn1)Cc1ccc(Cl)s1 578005864 PXHYDXUSMVBFKN-UHFFFAOYSA-N 291.807 3.690 30 20 CHED C[C@H](NN=Cc1cccc(C2CC2)c1)c1ccncc1 819818795 PWDNEUVUFLSSIJ-ZDUSSCGKSA-N 265.360 3.644 30 20 CHED C=CCC(F)(F)C(=O)N1[C@@H](C)c2ccc(F)cc2C[C@H]1C 815914979 ZQCBZGPHCDCMGP-MNOVXSKESA-N 297.320 3.871 30 20 CHED C[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)[C@@H]1C 480537271 NQIMKLUXWJOLRP-NWDGAFQWSA-N 262.784 3.832 30 20 CHED COc1ccc(Cl)cc1N=Cc1c(O)cccc1OC 812388190 XKAUPHSFRSPOMI-UHFFFAOYSA-N 291.734 3.813 30 20 CHED CCCCCC[C@H](C)NN=Cc1cn(C)nc1C(F)F 812226651 QTLYEOQPLXQWSK-NSHDSACASA-N 286.370 3.640 30 20 CHED CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1cc[nH]n1 814768814 BUSSPVCRMHEABM-UHFFFAOYSA-N 299.765 3.756 30 20 CHED N#Cc1cccnc1/C=C\c1csc(Br)c1 486055890 UAUIKQYCVUOIQQ-ARJAWSKDSA-N 291.173 3.948 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCc2cc(OC)ccc21 819052171 BUUOAIQNRLSSCD-UHFFFAOYSA-N 273.376 3.577 30 20 CHED C#CCCCCN[C@H](C)c1ccc(Cl)cc1OC 817581535 PXSIIIDONUBFLI-GFCCVEGCSA-N 265.784 3.803 30 20 CHED N#C[C@H]1CCCC(=NNc2ccc3ccccc3n2)C1 814697469 PQLMHSGJWDZLHL-LBPRGKRZSA-N 264.332 3.716 30 20 CHED CCCOc1cc(/C=C\c2ncccc2C#N)ccc1OC 486100730 CEWSVRGWPRKVSI-VURMDHGXSA-N 294.354 3.921 30 20 CHED Fc1ccc(CNN=Cc2ccc3[nH]ccc3c2)cc1F 811638958 JAMQYXRLRCHPAL-UHFFFAOYSA-N 285.297 3.570 30 20 CHED CCCC(=NNc1cc(C#N)cc(Cl)n1)c1ccccn1 814891489 WSEROFQLIKQCBL-UHFFFAOYSA-N 299.765 3.618 30 20 CHED Cc1ccoc1CNc1c(C#N)cnc2c(F)cc(F)cc12 488687732 QXZRZLKKQGHGSN-UHFFFAOYSA-N 299.280 3.898 30 20 CHED C=C(C)CN(CC)C(=O)CCCc1c(F)cccc1F 653543850 CNKHKQMZHXXZPE-UHFFFAOYSA-N 281.346 3.712 30 20 CHED CC(C)C#CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 822608704 WYSLWPQYCOWHLK-UHFFFAOYSA-N 284.186 3.611 30 20 CHED CC1CCC(=NNc2nc(-c3ccccc3)no2)CC1 726739687 RRDVZDPIGGGAQY-UHFFFAOYSA-N 270.336 3.715 30 20 CHED C=CCC(C)(C)CNC(=O)C1C[C@H](C)C[C@@H](C)C1 490092768 ZPJOECJOMNXNLV-CHWSQXEVSA-N 251.414 3.777 30 20 CHED C#CCNC(=O)[C@H](C)S[C@@H](CC)c1ccc(Cl)cc1 726796503 CEYIIYHYRIWFCH-FZMZJTMJSA-N 295.835 3.662 30 20 CHED C#CCCCCCCN[C@H](CC1CCCCC1)C(=O)O 901768864 CSSCBCGKTLAJSF-MRXNPFEDSA-N 279.424 3.583 30 20 CHED CC(C)[C@H](CNCCC#N)c1ccc(Cl)cc1 583318016 MCXRKZJNXRNLQS-AWEZNQCLSA-N 250.773 3.583 30 20 CHED C=CCCC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 588086557 NUZIIBHKPZOJCG-OAHLLOKOSA-N 282.387 3.840 30 20 CHED C=CCn1c(C2CC2)nnc1N1Cc2ccccc2[C@H]1CC 908637490 UEPVRJPKKAYRJC-MRXNPFEDSA-N 294.402 3.813 30 20 CHED C=CC1CCN(c2nc(C(F)(F)F)ccc2C(C)=O)CC1 663586713 RNSZWDJTGJOENE-UHFFFAOYSA-N 298.308 3.705 30 20 CHED C=CCCNC(=O)N(C)[C@@H](C)c1ccccc1Cl 661572557 RRBZJOQECBBQDY-NSHDSACASA-N 266.772 3.619 30 20 CHED C=CCC1(C(=O)OCc2ccc(Cl)cn2)CCCC1 835332967 DFYXXSGWSBHUEK-UHFFFAOYSA-N 279.767 3.915 30 20 CHED C=C[C@H](CC(=O)OCC1CC(F)(F)C1)c1ccccc1 835487398 CVOVXNAPFOFWEF-CYBMUJFWSA-N 280.314 3.935 30 20 CHED N#CCCCCCC(=O)Nc1cccc2cnccc12 588270632 QADFPJZJPWKWAO-UHFFFAOYSA-N 267.332 3.647 30 20 CHED CCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 581220990 NJRXIKILWWSEMC-IBGZPJMESA-N 292.382 3.734 30 20 CHED CC(C)[C@@H](NCC(C)(C)C#N)c1cc(F)ccc1F 903101888 OPXSWKRPZAMJKA-CQSZACIVSA-N 266.335 3.801 30 20 CHED Cc1ccccc1[C@H](C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 905928339 AZNMNBWKZCQTEI-ZNMIVQPWSA-N 271.360 3.724 30 20 CHED O=C(c1ccc(C2CC2)cc1)N(O)Cc1ccc(F)cc1 901371436 BWWWIPNZKWUYLY-UHFFFAOYSA-N 285.318 3.735 30 20 CHED CC1CC(C#N)(C(=O)O[C@@H](C)c2ccc3c(c2)CCC3)C1 837582399 XCCXXPPEJZPOEU-XYEKJYRLSA-N 283.371 3.719 30 20 CHED C[C@H]1CCC[C@]1(C)C(=O)OCC(C)(C)CCC#N 835386387 JJIDZMSCMGVQDF-WFASDCNBSA-N 251.370 3.686 30 20 CHED O=C(/C=C\c1ccc(F)c(F)c1)c1csc(C(=O)O)c1 730148256 CVUHRWGVXQTVPT-RQOWECAXSA-N 294.278 3.621 30 20 CHED CCCCCCCCCC(=O)N(C)C1CCN(OC)CC1 837267387 WTQIJHGLBQDMGE-UHFFFAOYSA-N 298.471 3.611 30 20 CHED Cc1ccc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)cc1C#N 836890997 YQUMCEQFJFHWJE-DLBZAZTESA-N 284.403 3.619 30 20 CHED CC(=NNc1cccc(C(F)(F)F)n1)c1ccco1 739422390 YXNKDTRUHLGVLU-UHFFFAOYSA-N 269.226 3.530 30 20 CHED CC[C@@H](NCCc1sc(C)nc1C)c1cccc(C#N)c1 902797056 SOJRNMLRLBWJID-MRXNPFEDSA-N 299.443 3.915 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCC(C)=C(C)C1 908669825 WXUUBYAQIMZMFY-HZPDHXFCSA-N 289.419 3.649 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccccc1SC)OCC 839428747 YKJLNFBVFUORMH-CYBMUJFWSA-N 280.389 3.685 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)CCc2c[nH]c3ccccc23)C1 839041935 FPMSMFVTNXUTSW-DZGCQCFKSA-N 296.370 3.726 30 20 CHED C=CCC1(C(=O)OCc2cccnc2Cl)CCCC1 835122511 WWGPBKALGAEVAL-UHFFFAOYSA-N 279.767 3.915 30 20 CHED CCCCCC[C@@](C)(CC)C(=O)N(C)[C@@H](C)C#N 839366611 KUGXSMPBRGRRBJ-DZGCQCFKSA-N 252.402 3.744 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)C=C1CCCC1 917647542 WZOJIHRUDMTWIA-UHFFFAOYSA-N 282.387 3.797 30 20 CHED CCCC[C@H](C(=O)Nc1nc(C)cc(C)c1C#N)C(C)C 598856117 DKTNLOHBOPVVRU-AWEZNQCLSA-N 287.407 3.971 30 20 CHED Cn1cc(CCNC2CCC(C)(C#N)CC2)c2ccccc21 594986047 RWSYVLCKFMUPMW-UHFFFAOYSA-N 295.430 3.783 30 20 CHED C[C@H]1CCCCC1=NNc1nc2cc(F)c(F)cc2[nH]1 912825203 LCCSZWJBJOWFDD-QMMMGPOBSA-N 278.306 3.819 30 20 CHED CCCOc1cccc(N=Cc2cc(OC)ccc2O)c1 915113152 PECJXQCBLJWZHG-UHFFFAOYSA-N 285.343 3.940 30 20 CHED C[C@@H]1CCCN1Cc1cccc(-c2ccc(C#N)nc2)c1 592987332 YGNGGRTYMZFTMM-CQSZACIVSA-N 277.371 3.605 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1ccc(O)cc1 675216636 MEAPYYCEEUTTKD-QGZVFWFLSA-N 285.387 3.824 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc3c(C)cccn23)ccc1O 741468302 VKXRHZZHHFMGDM-VURMDHGXSA-N 292.338 3.553 30 20 CHED Cc1ccc2c(c1)N(C(=O)CC1(C#N)CCCCC1)CC2 596994874 JBNAABOBMDDBLW-UHFFFAOYSA-N 282.387 3.748 30 20 CHED CCOc1cccc(/C=N/CC(C)(C)c2cccnc2)c1O 840713114 PPWJBCCLGBKSQL-RGVLZGJSSA-N 298.386 3.583 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cccc(F)c1 743449787 BINIFCNUYJAPHU-UHFFFAOYSA-N 263.703 3.710 30 20 CHED Cc1ncc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)s1 598885974 AIANGOBBYGDCDP-UHFFFAOYSA-N 297.383 3.523 30 20 CHED CC(=NOCC(C)C)c1ccc(Cl)c([N+](=O)[O-])c1 749636487 MBFXHWBHBFWXJN-UHFFFAOYSA-N 270.716 3.645 30 20 CHED COc1ccc(Br)c(NN=C[C@@H]2C[C@H]2C)c1 841658301 WGXGOGSKTBQDRD-BDAKNGLRSA-N 283.169 3.511 30 20 CHED C=CCCCCCNC(=O)c1cc(C(=O)O)ccc1Cl 848877630 CRKZFCHXFUUAEY-UHFFFAOYSA-N 295.766 3.514 30 20 CHED C#CCOc1cc(F)ccc1NCc1cccc(C)c1 742261142 FFBXXMQJVKWSPU-UHFFFAOYSA-N 269.319 3.758 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(OC3CCC3)cc2)cc1 744018021 PWKRQEOCBZGWBE-UHFFFAOYSA-N 293.322 3.709 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 842281418 LLFGQNGSIXBCMB-VBQJREDUSA-N 296.395 3.822 30 20 CHED CCC(=NNc1ccc2c(=O)[nH]ccc2c1)[C@@H]1CC1(C)C 841636147 HNPMCGJYOFBHBA-AWEZNQCLSA-N 283.375 3.752 30 20 CHED COc1cccc(/C=N/Cc2c(F)cccc2Cl)c1O 745624776 NORXSRQHXJFMHD-QGMBQPNBSA-N 293.725 3.812 30 20 CHED COc1cccc(O)c1C=Nc1cc(F)c(F)c(F)c1 741165958 UGRMDVCMWCRCOB-UHFFFAOYSA-N 281.233 3.569 30 20 CHED CCCCCCCCOCC(=O)N1CCC2(CC1)CC2 741563041 CGEGILHMGXAKLB-UHFFFAOYSA-N 281.440 3.766 30 20 CHED COc1ccc(CNN=Cc2ccc(Cl)s2)cc1 917547220 KYAFSXQKSRASOO-UHFFFAOYSA-N 280.780 3.534 30 20 CHED CC(=NNc1nncc2ccccc12)c1ccc(C)s1 917025103 QTCOHVSXKSIGHS-UHFFFAOYSA-N 282.372 3.836 30 20 CHED CN(C(=O)C#Cc1ccccc1)[C@H]1CCCc2ccccc21 747352465 DCKZDXJZLZURNP-IBGZPJMESA-N 289.378 3.574 30 20 CHED Cc1cccc2ncc(/C=C3\Cc4ccc(F)cc4C3=O)n12 749005235 XULAJIAHHNXBDU-MDWZMJQESA-N 292.313 3.604 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)C1 596266896 XZMCEIKVCLKRFY-OAGGEKHMSA-N 291.439 3.536 30 20 CHED COc1cc(OC)cc(-c2cccc(C3(C#N)CC3)c2)c1 596647411 JJKHOTLCOCNTEM-UHFFFAOYSA-N 279.339 3.926 30 20 CHED N#Cc1c(F)cccc1-c1cccc(CO[C@H]2CCOC2)c1 596639697 SFJJPXFIEMFLBH-HNNXBMFYSA-N 297.329 3.670 30 20 CHED CO[C@H](C=NNc1ccc(Cl)cc1)CC(C)C 841604179 NECNYZLTNHHEOL-ZDUSSCGKSA-N 254.761 3.799 30 20 CHED CCC(CC)[C@@H](CC/N=C/c1cc(OC)ccc1O)OC 746521246 GBYFPXYRUJFVIN-YPOUMIDOSA-N 293.407 3.661 30 20 CHED CCN(CCCCC1(C#N)CCC1)Cc1ccoc1 929478296 YFNILVLJHPWXLR-UHFFFAOYSA-N 260.381 3.966 30 20 CHED COc1cccc(/C=N\CCc2ccc(Cl)cc2)c1O 920943145 OXHSJJDEFZEYQM-WQRHYEAKSA-N 289.762 3.716 30 20 CHED C[C@H](NN=Cc1cccc(OC(F)F)c1)c1ccccc1 747049024 BTNUKQDFJVOLBP-LBPRGKRZSA-N 290.313 3.973 30 20 CHED C=C(C)CCOC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 744302953 JHVSZDJAYWMDGU-MNOVXSKESA-N 264.287 3.865 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCOc2c(Cl)cccc21 920174302 LOWVEHHBSHVTTG-XKYMITNMSA-N 287.746 3.988 30 20 CHED C=CCC1(C(=O)N=S(=O)(CC)CC)CCCCC1 925882155 XYNPTAXEEGHFLJ-UHFFFAOYSA-N 271.426 3.547 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1ccc(OC(F)F)cc1 755819889 VOWOZSTZXAPUEX-CYBMUJFWSA-N 285.290 3.555 30 20 CHED CSc1c(F)cccc1NC(=O)C#CC(C)(C)C 855250061 TXTFTFPBUGEEPT-UHFFFAOYSA-N 265.353 3.536 30 20 CHED Cc1ccccc1CCCOC(=O)c1cccc(C#N)c1 753435549 BTWRLLCXMSBWMV-UHFFFAOYSA-N 279.339 3.656 30 20 CHED C=C[C@@H](OC(=O)[C@H](OC)c1cccc(OC)c1)C(C)(C)C 851008127 LSEFAMKHZXAPII-HUUCEWRRSA-N 292.375 3.527 30 20 CHED CC(C)c1cnc(CSc2cccc(C#N)c2)o1 751480381 VLUCIRJCJMLMNU-UHFFFAOYSA-N 258.346 3.962 30 20 CHED C[C@@H]1SCCN(CCCCC2(C#N)CCC2)[C@H]1C 929674096 BXJSYVSVSCQIGU-KBPBESRZSA-N 266.454 3.676 30 20 CHED C[C@@H]1CC(OC(=O)c2ccc(C#N)s2)C[C@@H](C)C1 750722249 RGBSDBADMNXHNL-UWVGGRQHSA-N 263.362 3.601 30 20 CHED CCc1cc(C(=O)OCCCC(C)(C)C#N)cc(Cl)n1 924006506 DSBRJIGDSBHRDF-UHFFFAOYSA-N 294.782 3.784 30 20 CHED C=CCc1cc(CN(C)C[C@H](C)CC)c(O)c(OC)c1 754726580 SRBGGAWWNCFKEY-CYBMUJFWSA-N 277.408 3.607 30 20 CHED CC(C)COc1cccc(C/N=C/c2cccc(O)c2O)c1 920178783 VPEHUBHNMVSDOQ-YBFXNURJSA-N 299.370 3.752 30 20 CHED C=C(Cl)CSCCCOc1ccc2c(c1)OCO2 921198112 QQMPLYWSWZITSJ-UHFFFAOYSA-N 286.780 3.670 30 20 CHED N#C[C@@]1(C(=O)Oc2cccc(OC3CC3)c2)CC12CCCC2 857647562 OISRBAFJZUZOFE-GOSISDBHSA-N 297.354 3.607 30 20 CHED N#CC1(CC(=O)Oc2cccc(F)c2)CCCCC1 850742469 GWQVSXPBJLZLJM-UHFFFAOYSA-N 261.296 3.595 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCC(=O)c1ccccc1 851209298 KGGDMKOQUZWSPS-ZDUSSCGKSA-N 287.359 3.521 30 20 CHED C[C@@H]1C[C@H]1C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 758360491 WLFXFKGAOIUGIT-SFYZADRCSA-N 287.241 3.667 30 20 CHED CCc1ccc(CC(=O)OCc2ccc(F)c(C#N)c2)cc1 758953079 WEMBZWNBAQVUES-UHFFFAOYSA-N 297.329 3.546 30 20 CHED CC(Cc1cccc(F)c1)=NNc1cccc([N+](=O)[O-])c1 759180714 RXFRIKCOYZMWGT-UHFFFAOYSA-N 287.294 3.764 30 20 CHED N#Cc1ccc(C2CCN(C3CCCC3)CC2)cc1 933610619 NKGKLPFETXYLAN-UHFFFAOYSA-N 254.377 3.680 30 20 CHED C(=NOCCOc1cccc2ccccc12)C1CC1 853734651 GNBOMDGEEIMJKB-UHFFFAOYSA-N 255.317 3.631 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cccc2cccnc12)OCC 756481768 SOKCUNIYPXISEE-INIZCTEOSA-N 299.370 3.649 30 20 CHED CCCCCCCOC(=O)Cc1c[nH]c2ncccc12 757152279 VZZFZCQFKMKSGW-UHFFFAOYSA-N 274.364 3.619 30 20 CHED C=C[C@H](CC(=O)Oc1cccc([N+](=O)[O-])c1)c1ccccc1 758143221 CFNQYYDDFKGCSF-CYBMUJFWSA-N 297.310 3.860 30 20 CHED CC(C)n1cccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851207852 IJCBVPIZDLXJKE-LBPRGKRZSA-N 262.353 3.554 30 20 CHED CCC(CCc1ccccc1)=NNc1ccccn1 863067589 DDJRJZKCWGKSGZ-UHFFFAOYSA-N 253.349 3.892 30 20 CHED CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)CCCC#N)C1 863255477 WHZPFUZGAVZZOW-OAHLLOKOSA-N 284.403 3.932 30 20 CHED C/C(=C\C(=O)Nc1ccc(F)cc1OCC#N)C(C)(C)C 760790627 YOYUIYZBEMLRKB-PKNBQFBNSA-N 290.338 3.659 30 20 CHED Cc1noc(C(C)C)c1C(=O)O[C@@H](C)c1cccc(C#N)c1 764616154 ZPHNRAZVTHPVDD-LBPRGKRZSA-N 298.342 3.896 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2cccc(Cl)c2)c1 765824503 MLFBZZRCRJYVTA-FPLPWBNLSA-N 286.714 3.934 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1sccc1C#N 931842852 ODKDRCAWVBNAIA-MNOVXSKESA-N 277.393 3.662 30 20 CHED C#CCN(Cc1ccc(SC(F)F)cc1)C1CC1 763959917 LNUOABZJVSGVSC-UHFFFAOYSA-N 267.344 3.599 30 20 CHED C#CCCCSc1nnc(-c2c[nH]c3ccccc23)o1 766284257 IOWUGUOQPUYPCI-UHFFFAOYSA-N 283.356 3.723 30 20 CHED C=CCCN1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 931798956 HJHPGPFPPFLNIS-INIZCTEOSA-N 287.794 3.587 30 20 CHED CCCCCCCCNC(=O)N[C@H](C)CC(F)(F)F 766632872 YOPQIEMFCZAYIN-LLVKDONJSA-N 282.350 3.987 30 20 CHED C[C@@H](C#N)CN(C)c1nc(Cl)cc2cc(F)ccc12 865440884 OTDPUIRHLFQIBG-VIFPVBQESA-N 277.730 3.623 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(-c2ccccc2)no1 860196343 WHVFDDNRMMIJTB-UHFFFAOYSA-N 298.342 3.715 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CC[C@H]2c2ccccc2)c1 769799463 XPVITXCYKANBDD-ZDUSSCGKSA-N 296.761 3.952 30 20 CHED Cc1ccc(NN=Cc2cnc(C3CC3)o2)c(Cl)c1 863118200 QVMLQEXBWWJANG-UHFFFAOYSA-N 275.739 3.960 30 20 CHED CC(C)c1nc(/C=C/C(=O)c2cccnc2)c2ccccn12 762605600 RZTVALKNFLWPCB-CMDGGOBGSA-N 291.354 3.749 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H]2CCC[C@@H](C)C2)o1 768366222 ZQUXOQRAVDIKAV-VXGBXAGGSA-N 274.368 3.894 30 20 CHED C#CCCCCCCNCc1ccc(Br)cn1 877734535 VYOGNEIFQJRAKN-UHFFFAOYSA-N 295.224 3.517 30 20 CHED C#CCCc1noc(-c2sc3ccc(OC)cc3c2C)n1 762009552 SVEFKEVIGKNBEY-UHFFFAOYSA-N 298.367 3.834 30 20 CHED CC(CCC1CC1)=NNC(=S)Nc1ccccc1F 768763462 GGHGAQPZCPOOED-UHFFFAOYSA-N 279.384 3.678 30 20 CHED C=CC[C@H](NC(=O)N(CC)CCC1CC1)c1ccncc1 760992666 BEBFRROSOPEDJA-INIZCTEOSA-N 287.407 3.530 30 20 CHED Cc1cc(C=NNCCCc2ccccc2)cnc1Cl 760253110 PXYUBPOSMCJKIB-UHFFFAOYSA-N 287.794 3.600 30 20 CHED CCCCCCCCOCC(=O)N1CC[C@@H](C2CC2)C1 764068383 HJXFMOOYRQZNGS-MRXNPFEDSA-N 281.440 3.622 30 20 CHED COc1cc(C)ccc1C(C)=NNc1nc2ccccc2[nH]1 767062295 KXUWPLNKBOEVFY-UHFFFAOYSA-N 294.358 3.716 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](CC)COC)cc1 766093070 HBIKHOQEPMLFPR-DZGCQCFKSA-N 297.826 3.894 30 20 CHED O=C(/C=C\c1ccc2nccnc2c1)C1CCCCC1 871657267 UJMNEWIYYORAAX-CLFYSBASSA-N 266.344 3.792 30 20 CHED COc1ccc(N[C@H](C)CC2(C#N)CCOCC2)c(C)c1 876841823 CWVQDWHGOYZBJS-CQSZACIVSA-N 288.391 3.515 30 20 CHED C=C(CC)COC(=O)Cc1ccccc1OC(C)C 773502175 HAXPHUPCTVHFIU-UHFFFAOYSA-N 262.349 3.526 30 20 CHED CC(C)c1ccc(C=NOCc2ccc(CO)cc2)cc1 778589880 GAGJPGPBVDYNQW-UHFFFAOYSA-N 283.371 3.853 30 20 CHED C[C@H]1CN=C(NN=C2CCCCCCCCCCC2)N1 779791472 DDIZRYUMXFIXEO-AWEZNQCLSA-N 278.444 3.584 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccccc2CC#N)C1 776894720 ZNSHRFYLMRVLMI-SJLPKXTDSA-N 298.430 3.626 30 20 CHED CCCCCCCOC(=O)[C@@H](C)Cc1c(C)n[nH]c1C 772081740 NSCFSMBVWVZUGD-LBPRGKRZSA-N 280.412 3.719 30 20 CHED COc1cccc(F)c1C(C)=NOC1CCCCC1 777459336 OAKKLNHAPXHAKW-UHFFFAOYSA-N 265.328 3.908 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1ccccc1CC(F)(F)F 878816415 PSRMFVJSKFQVDV-AWEZNQCLSA-N 298.308 3.715 30 20 CHED N#CCCCn1cc(C(=O)O[C@@H]2C=CCC2)c2ccccc21 774186152 LKJBDABHAYQTRV-CQSZACIVSA-N 294.354 3.820 30 20 CHED C#CCOc1ccc(F)cc1N[C@H](C)c1cccc(C#N)c1 777114418 KJPMYNUZEQAWRJ-CYBMUJFWSA-N 294.329 3.882 30 20 CHED N#Cc1cc(/C=C/C(=O)C2CCCCC2)ccc1F 770570534 FGSXLEGTHMVYDJ-VQHVLOKHSA-N 257.308 3.860 30 20 CHED CCOc1cc(F)ccc1NC(=O)c1cc(C#N)ccc1C 1125125123 KFWDYTVUAKPRIC-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cc(C#N)c(F)cc1F 880712553 RDAIYHBWAIKPBT-JTQLQIEISA-N 295.333 3.879 30 20 CHED C=CCOCCNc1ccc(C(C)=O)c(C(F)(F)F)c1 1120050093 GBZPLQDGUHSTRN-UHFFFAOYSA-N 287.281 3.523 30 20 CHED N#Cc1c(F)cccc1C(=O)OCc1sccc1Cl 785914043 OKZAKMHVOGJUHW-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C=CCOCCCC(=O)Nc1cc(OC)c2ccccc2c1 887080070 JEENLPLRDQYMBD-UHFFFAOYSA-N 299.370 3.770 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1cnnc2ccccc12 783845705 IGXZYDXIJFBOEQ-CHWSQXEVSA-N 268.364 3.854 30 20 CHED Cc1cc(COC(=O)[C@@H](CC#N)c2ccccc2)cs1 1129419556 LSQFLBALXXUUAP-HNNXBMFYSA-N 285.368 3.797 30 20 CHED CCCCCC[C@@H](C)NN=C1CCC[C@@H](N(C)C)C1 788432671 DTNAVYPZLPHANS-GDBMZVCRSA-N 267.461 3.795 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(C#N)cc1F)C1CC1 1120600820 HRGSUGSJQNKLPL-NWDGAFQWSA-N 288.366 3.737 30 20 CHED CCC[C@@H](C=NOC[C@@H]1CCOC1)c1ccccc1 788037502 WDYWMJQALDEBDA-ZBFHGGJFSA-N 261.365 3.609 30 20 CHED COc1ncc(C(=O)/C=C/c2ccc(C#N)cc2)cc1Cl 789157660 PEUBVEGXOHVIPC-VOTSOKGWSA-N 298.729 3.511 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)OCCCC(C)(C)C#N)C1 784612132 GBHJDRCAONBHKN-WDNDVIMCSA-N 265.397 3.932 30 20 CHED CCC(=NNc1ccnc(F)c1)c1cc(F)ccc1F 781132401 LFMDRTJOZZVZHK-UHFFFAOYSA-N 279.265 3.725 30 20 CHED N#C[C@H]1CCCN(c2ccnc3cc(F)c(Cl)cc23)C1 895649180 XKYFVKYERKTEKQ-SNVBAGLBSA-N 289.741 3.767 30 20 CHED C=C1CCC(c2nc([C@@H](CCC)OC)no2)CC1 896353237 WHLUORVDQUCTLQ-GFCCVEGCSA-N 250.342 3.771 30 20 CHED C#CC[C@@H](OC(=O)c1cc2nc(C)ccc2o1)C(C)(C)C 781558584 LFMBCQXSMRNHJN-OAHLLOKOSA-N 285.343 3.731 30 20 CHED C#CCC1(C(=O)N2CCS[C@@H](C(C)C)C2)CCCCC1 788229209 OOOZWOXTUBSVSG-OAHLLOKOSA-N 293.476 3.560 30 20 CHED CCC[C@H]1CCCC1=NNc1ccc(C(=O)O)cc1OC 788436618 BQEQCLIAJLBNHR-NSHDSACASA-N 290.363 3.762 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(C(=O)O)c1 1588832329 CVYZPCQZZHMYFV-UHFFFAOYSA-N 281.355 3.573 30 20 CHED CC(=O)c1ccc(C#N)cc1N[C@@H]1CCCc2cccnc21 896411349 DFBNMBYXYCQPNV-MRXNPFEDSA-N 291.354 3.645 30 20 CHED CCN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H](C)C#N 1131632803 MRONRRBUUKUHJK-AWEZNQCLSA-N 278.355 3.728 30 20 CHED C[C@H]1CCC(=NNc2nncc3ccccc23)[C@@H](C)C1 783793497 UWFCFCYDKJEALW-RYUDHWBXSA-N 268.364 3.854 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccncc1 781640667 CAGSIWQEAKVCLJ-CABCVRRESA-N 272.392 3.641 30 20 CHED N#Cc1ccc(F)c(NC(=O)C=C2CCCCC2)c1 891448140 FWCDVEMMEIHHEG-UHFFFAOYSA-N 258.296 3.526 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)CCc2ccc(F)cc21 899367027 UIMHKIMHAOMXAD-ZSOIEALJSA-N 296.345 3.960 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc2occc2[nH]1 786030169 LXVBOPSSTQUHQP-UHFFFAOYSA-N 274.320 3.638 30 20 CHED Clc1ccc(C=NNCCc2ccncc2)cc1Cl 789085580 JIBKKBQAUVVQIN-UHFFFAOYSA-N 294.185 3.555 30 20 CHED CC[C@H](C)NN=C1CCC(N(C)Cc2ccccc2)CC1 797788648 QOQKATOXCVEJKM-BUSXIPJBSA-N 287.451 3.805 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1ncccc1F 794984005 IYAJWCRCFBEACE-UHFFFAOYSA-N 271.339 3.950 30 20 CHED C#C[C@@H](CCC)NC(=O)CCc1ccc(-c2ccccc2)[nH]1 791744504 DUHYFDULEMIOHN-INIZCTEOSA-N 294.398 3.532 30 20 CHED CSCCON=CCc1ccc(C(C)C)cc1 794573139 SUZRSXCOJKFVGK-UHFFFAOYSA-N 251.395 3.718 30 20 CHED C#C[C@H](Nc1nn2cc(-c3ccccc3)nc2s1)C(C)C 798409397 WWKWVDSXBZVSOA-ZDUSSCGKSA-N 296.399 3.528 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1C[C@H](OCC)[C@]12CCCO2 793554424 PRRBZWRZCHCHCA-MHORFTMASA-N 295.467 3.828 30 20 CHED C[C@H](CC#N)NC(=O)c1sc2cccc(F)c2c1Cl 1136736918 SWRSWRLGCVTQDX-SSDOTTSWSA-N 296.754 3.726 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1C1CCCCC1 791070142 RQLDROPJBKPRHO-HOTGVXAUSA-N 276.424 3.543 30 20 CHED C=CCCCCC[C@@H](C)NCc1cccnc1OC 793524114 JYMNYKAIFRNEEG-CQSZACIVSA-N 262.397 3.705 30 20 CHED C#C[C@@H](/N=C/c1ccccc1O)c1ccc(Cl)cc1F 794675521 CUVVTTBPNZCZSB-GDXCHIGESA-N 287.721 3.978 30 20 CHED Cc1ccc(F)c([C@@H](C)OC(=O)c2ccc(C#N)o2)c1 797014930 TZYKSEZONBCVKG-SNVBAGLBSA-N 273.263 3.517 30 20 CHED O=C(/C=C\c1ccccc1C1CC1)c1ccnc(F)c1 794719983 OSBWUHXWADBVBD-FPLPWBNLSA-N 267.303 3.994 30 20 CHED COc1ccc(C)cc1/C=C1/COc2cc(F)ccc2C1=O 794727585 IGLXZSIJVQOEPY-JYRVWZFOSA-N 298.313 3.801 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccc(CC)cc2)CCC1 791560822 PABBHFMCDHQBTM-UHFFFAOYSA-N 286.371 3.721 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)o1)c1csc2ccccc12 794296835 PCADFLQUJLLVTC-SNVBAGLBSA-N 296.351 3.857 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc2c(c1)CCCO2 797273243 VTAXIYRMYUCYTN-UHFFFAOYSA-N 260.333 3.519 30 20 CHED COC(=O)c1cc(NN=C[C@H]2CC=CCC2)ccc1C 793098347 RKHUZDYNYHNJBT-ZDUSSCGKSA-N 272.348 3.536 30 20 CHED CCN(CC)c1ccc(/C=C/C(=O)c2ccnc(F)c2)cc1 794720643 HFQYLQVWOTUOLC-JXMROGBWSA-N 298.361 3.963 30 20 CHED C=C(Cl)COC(=O)c1c(-c2ccccc2C)noc1C 796211379 OMZLKGGLTIXCDK-UHFFFAOYSA-N 291.734 3.868 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(Cl)nc1C 790253152 TZYQOXGCXUUJSY-UHFFFAOYSA-N 296.798 3.745 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CCC[C@H](C(C)C)C2)n1 1162461114 SGAARDNEFKLKET-STQMWFEESA-N 272.396 3.537 30 20 CHED Cc1ccc(NN=Cc2c(C)nn(C)c2Cl)cc1Cl 1317929347 DRZYPERFAAYPON-UHFFFAOYSA-N 297.189 3.790 30 20 CHED Cc1nc(C(=O)OCC[C@H]2CCC[C@H](C)C2)ccc1C#N 1319074021 WCYIALCCKBJCLW-GXTWGEPZSA-N 286.375 3.635 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCc1ccc(Cl)cc1Cl 136178924 OKBUGLYBEMZXDR-AWEZNQCLSA-N 299.201 3.592 30 20 CHED C#C[C@H](C)NCc1c(Cl)ccc(Cl)c1Cl 166496961 QBOXNIIYHULYSY-ZETCQYMHSA-N 262.567 3.758 30 20 CHED CCC[C@H](C(=O)Nc1ccc(C#N)cc1OC)C(C)C 546710144 ILVDJACIRCNDRK-ZDUSSCGKSA-N 274.364 3.578 30 20 CHED N#Cc1ccc(N[C@@H]2CCCc3cccnc32)c(F)c1 168249187 OELZJFAFRUVWFZ-OAHLLOKOSA-N 267.307 3.582 30 20 CHED N#Cc1ccc(CNc2cnc3ccccc3c2)cc1F 1170094236 LAGUOUQSJRBZBA-UHFFFAOYSA-N 277.302 3.858 30 20 CHED N#CCOc1cccc(CNCc2sccc2Cl)c1 1321346610 WXCDXYCGNINGOA-UHFFFAOYSA-N 292.791 3.594 30 20 CHED CCOc1cccc([C@H]2C[C@@H]2Nc2cccc(CC#N)n2)c1 1320656281 QNKGKQNWMHACDJ-SJORKVTESA-N 293.370 3.514 30 20 CHED CC(C)C(CNC(=O)C1(C#N)CCCCC1)C(C)C 191704087 HVUJMDCHTCMGDI-UHFFFAOYSA-N 264.413 3.505 30 20 CHED C=C[C@@H](COC)N[C@H](CC)c1cccc(Cl)c1 1320306122 MNMINUIINSOJFS-UONOGXRCSA-N 253.773 3.582 30 20 CHED C=C(C)CCOC(=O)[C@H](C)c1ccc(F)cc1F 1322489182 YEFFXQDGVLEGHV-SNVBAGLBSA-N 254.276 3.578 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCc2cc(C3CC3)no2)n1 1331272303 UHNMLDVHGHSUOJ-UHFFFAOYSA-N 297.358 3.695 30 20 CHED C=C(C)CCC(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 1338984952 WWBUTNFJIZLUOO-ZBFHGGJFSA-N 275.367 3.934 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cn(CCCC)nc1C 1337551115 NSFMTVYIHBCBFT-OAHLLOKOSA-N 289.423 3.562 30 20 CHED C[C@@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)C1CCC1 1334259284 AXJDQJMLVWHWLE-CYBMUJFWSA-N 282.387 3.880 30 20 CHED CC(C)[C@H]1CC(=NNCC2CCOCC2)c2ccccc21 1339128469 UMSBHFLMISQUID-QGZVFWFLSA-N 286.419 3.550 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C 1263777697 UIJRLFGMLKIHAW-NEPJUHHUSA-N 277.330 3.778 30 20 CHED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cccc(CC#N)n1 1342844891 ZBMJNPRVOVIEFH-DZGCQCFKSA-N 295.361 3.669 30 20 CHED C[C@@H]1CCc2sc(C(=O)O[C@H]3CC[C@H](C#N)C3)cc2C1 1342575299 OAEAZKUUCKGAIM-MDZLAQPJSA-N 289.400 3.722 30 20 CHED N#Cc1cc(C(=O)OCCCOC2CCCCC2)cs1 1341931382 TUWCNMFHBFIMSP-UHFFFAOYSA-N 293.388 3.516 30 20 CHED Cc1cnc([C@H](C)NCCCCC2(C#N)CCC2)s1 1262258678 QDZCZSWQKSENSD-ZDUSSCGKSA-N 277.437 3.966 30 20 CHED C[C@H](NCCCCC1(C#N)CCC1)c1ccccn1 1341008750 RYCKGLVMFOKLEW-AWEZNQCLSA-N 257.381 3.596 30 20 CHED C[C@H](OC(=O)CCC1(C)CC1)c1cccc(C#N)c1 1266016435 AGZRVSNRNRTTTG-LBPRGKRZSA-N 257.333 3.743 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cncc2ccccc12 1435590686 ZMFADKNMLHEBCB-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=C(C)CCC(=O)N(C)Cc1cccc(Br)c1 1353467816 VEYYSSXUDGMFJY-UHFFFAOYSA-N 296.208 3.764 30 20 CHED CC1CCC(N(C)c2nc(C#N)c(Cl)s2)CC1 1458092961 MYUJCHBJFLAOOI-UHFFFAOYSA-N 269.801 3.683 30 20 CHED Cc1cccc2c1N(Cc1ccc(F)cc1C#N)CC2 1459733635 YBUOWCZLBDNLME-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C#Cc1ccc(CNCc2ccccc2Cl)cc1 809601508 DOHKCTGQTUELGL-UHFFFAOYSA-N 255.748 3.611 30 20 CHED N#Cc1ccc([C@H](Nc2ccc(C3CC3)cc2)C(=O)O)cc1 1608202508 QPMFHMBXCYFJQZ-KRWDZBQOSA-N 292.338 3.673 30 20 CHED CCC[C@H](CC)C(=O)Nc1cc(C#N)c2ccccc2n1 1539551217 DVMDNESWZDHBBG-LBPRGKRZSA-N 281.359 3.871 30 20 CHED C[C@H](NC(=O)c1ccc(CC#N)cc1)C1CCCCCC1 1536730467 YVPWZLPYIWIHAK-AWEZNQCLSA-N 284.403 3.841 30 20 CHED C[C@@H]1CC(=O)c2c(Oc3ccnc(C#N)c3)ccc(F)c21 1611753222 WJKYNPSAWCUOOR-SECBINFHSA-N 282.274 3.575 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(CCC)CC1CC1 1705753115 QUEVWITXYYKJJY-UHFFFAOYSA-N 294.830 3.534 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNc1nccc(C)c1C#N 1639973355 XUPFVWLUKKVRLL-ZIAGYGMSSA-N 257.381 3.890 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@H]3CCCC[C@H]32)n1 1640123039 JDOLSISZCXJZQV-ZIAGYGMSSA-N 269.392 3.630 30 20 CHED CCC(CC)CN(CCC#N)c1nc(Cl)cs1 1650933614 BUTAEYXEBKWKPK-UHFFFAOYSA-N 271.817 3.953 30 20 CHED CC(C)(C(=O)Nc1cccc(C#N)n1)c1ccccc1Cl 1585912911 NQPSVQLWITXUNL-UHFFFAOYSA-N 299.761 3.523 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cc(C)c(C#N)cn2)cc1C 1663853772 TWJHMKFVABUGSX-UHFFFAOYSA-N 294.358 3.547 30 20 CHED CCCC1(CNC(=O)Nc2scc(C)c2C#N)CC1 1669735987 JFRBMYDSJYLMQU-UHFFFAOYSA-N 277.393 3.630 30 20 CHED CCCC[C@@H](S[C@H](C#N)Cc1ccc(C)cc1)C(=O)O 1595651553 HUOVHWQAPNVHIB-LSDHHAIUSA-N 291.416 3.806 30 20 CHED CCC[C@@H](NC(=O)Nc1ccc(C#N)cn1)c1ccccc1 1672082494 MOONKLAOPRBGKW-OAHLLOKOSA-N 294.358 3.616 30 20 CHED C=C(Cl)COc1ccc(C(C)=O)cc1Br 1641252828 YQTYFKWCSCIFIY-UHFFFAOYSA-N 289.556 3.783 30 20 CHED Cc1cccc(F)c1CNC(=O)Nc1cccc(CC#N)c1 1671984047 GVPFKXGFBLTTSK-UHFFFAOYSA-N 297.333 3.522 30 20 CHED Cc1cccc(NN=C2CC[C@@H](CC(=O)O)[C@@H]2C)c1Cl 1776106699 QZTFYTUAWGOTKX-QWRGUYRKSA-N 294.782 3.937 30 20 CHED C=Cc1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)cc1 1776194377 CHUNJTUQXIDXLM-FPLPWBNLSA-N 284.336 3.985 30 20 CHED N#Cc1ccccc1COc1cccc(Br)c1 11834191 FMZRBUCLUTUVPQ-UHFFFAOYSA-N 288.144 3.900 30 20 CHED CN(CCC#N)c1ccc(CNc2ccc(C#N)cc2)cc1 162045713 YJKWLRWGHQLALZ-UHFFFAOYSA-N 290.370 3.520 30 20 CHED N#Cc1cccc(SCc2noc3c2CCCC3)c1 158689479 ISPQFVHSAOENJI-UHFFFAOYSA-N 270.357 3.717 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)c1ccccc1F 158939256 DRSZSICXQBKOGV-UHFFFAOYSA-N 292.398 3.711 30 20 CHED COc1cccc([C@@H](C)NCc2ccc(C#N)cc2C)c1 165358343 WXULTGOGCVUPDK-CQSZACIVSA-N 280.371 3.726 30 20 CHED CC(=O)c1ccc(OCc2ccc(C#N)cc2C)c(F)c1 165697364 GNKBDUQDVBCJPA-UHFFFAOYSA-N 283.302 3.787 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCCC1(C)C 157006043 RMNQETVGRPYGEV-INIZCTEOSA-N 299.418 3.668 30 20 CHED C[C@@H](CC#N)NC(=O)C=C1CCC(C(C)(C)C)CC1 156037200 FWUDCYFGHVUSPG-NBFOIZRFSA-N 262.397 3.567 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1N1CCCCCC1 156337846 ADMIXYUVTSCKCO-UHFFFAOYSA-N 287.407 3.765 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2nc(C)cc(C)c2C#N)C1 227359619 IXUDXFMMBIDUIW-CHWSQXEVSA-N 275.421 3.656 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NCC(C)(C)C#N 169279660 RXNRQNSWUIVZTR-AWEZNQCLSA-N 258.409 3.882 30 20 CHED Cc1cc(N2CCC[C@H](C(C)C)CC2)cc(C#N)n1 308270488 JDVPLZSJTVALFK-AWEZNQCLSA-N 257.381 3.524 30 20 CHED Cc1ccc(F)cc1COc1cc(F)cc(C#N)c1 311946263 YJKMLYFBEMWHOX-UHFFFAOYSA-N 259.255 3.724 30 20 CHED Cc1ccc(C)c(C(=O)Nc2cccc(CC#N)c2)c1 313445292 MKWACUGUWBNQCY-UHFFFAOYSA-N 264.328 3.622 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC(C(F)(F)F)CC1 79032764 AECTZYBRLFZQDX-UHFFFAOYSA-N 288.700 3.990 30 20 CHED O=C1CCC(C(O)=Nc2cnc3ccccc3c2)CC1 329851741 UBELYZVQACHKFZ-UHFFFAOYSA-N 268.316 3.582 30 20 CHED Cc1cc(N2CCC[C@H](C(C)(C)C)C2)cc(C#N)n1 553226287 IKZGRRMFXMHYTG-ZDUSSCGKSA-N 257.381 3.524 30 20 CHED Cc1cccnc1SCc1ccc(C#N)cc1F 344584300 VOKXXLDTMPYVHD-UHFFFAOYSA-N 258.321 3.693 30 20 CHED N#Cc1ccc(NC[C@H]2CCCCC2(F)F)cc1 381765181 XNVQHPCZEIZKOL-GFCCVEGCSA-N 250.292 3.796 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1cc(F)cc(C#N)c1 720321773 NAFBBPGDGVKXMV-LBPRGKRZSA-N 262.328 3.708 30 20 CHED N#Cc1cccnc1NCCc1ccc(Cl)cc1Cl 15209594 GLGDCNPJGCQQKE-UHFFFAOYSA-N 292.169 3.915 30 20 CHED N#Cc1ccc(NC(=O)c2cc(F)ccc2F)cc1Cl 15576463 PGMFLFYTBXAJBM-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1cc(C(=O)OCC#N)c(C)n1-c1ccc(C(C)C)cc1 29040170 WXMJAWZZHUMHKH-UHFFFAOYSA-N 296.370 3.898 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccc(Cl)o2)cc1 29153311 PCGLCXJUKWZZAI-UHFFFAOYSA-N 288.734 3.986 30 20 CHED C#Cc1cccc(NC(=O)c2cc(Cl)c(Cl)n2C)c1 32936737 ADODSKJQLPJUAE-UHFFFAOYSA-N 293.153 3.566 30 20 CHED N#Cc1ccc(N2CCCCC2)cc1C(F)(F)F 34485959 QSEYKDHHVOUONE-UHFFFAOYSA-N 254.255 3.567 30 20 CHED N#Cc1ccc(Sc2nc3ccccc3o2)c(F)c1 36886972 GJOADJATQXAOEE-UHFFFAOYSA-N 270.288 3.990 30 20 CHED CC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 37306336 BAKYGUDWCVTXMM-UHFFFAOYSA-N 268.282 3.813 30 20 CHED Cc1cccc([C@H](C)NCc2ccc(C#N)cc2)c1 37748460 MCMINCGBNNRJGR-AWEZNQCLSA-N 250.345 3.718 30 20 CHED Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1F 43281072 YLGWFWOISYTLJT-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1ccc(C#N)cc1 45392411 LGUACIUPEXJSOV-UHFFFAOYSA-N 278.355 3.529 30 20 CHED Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1 46062218 JATQECQRBYDVRZ-UHFFFAOYSA-N 279.343 3.531 30 20 CHED O=S(=O)(/C=C\c1ccccc1)/N=C(\O)CC1CCCC1 48518316 UCDPLZOFWHNZKS-KHPPLWFESA-N 293.388 3.524 30 20 CHED C=CCN(CCOc1cccc(C#N)c1)Cc1cccs1 51262534 BVZXEXCNDZGUPM-UHFFFAOYSA-N 298.411 3.687 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(CC(C)C)C1CC1 58451441 IZCDZHWLVPTHBD-UHFFFAOYSA-N 271.364 3.519 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc(SC)ccc1Cl 60102504 LUGGGLSCCHJSAC-JTQLQIEISA-N 296.823 3.684 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc2cccnc12 72691396 XUGLAECOAVTXNT-UHFFFAOYSA-N 281.403 3.997 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCCc2ccccc21 78052170 POQHUBGAICVJTG-INIZCTEOSA-N 256.393 3.984 30 20 CHED Cc1c(OCCCC(C)(C)C#N)cccc1[N+](=O)[O-] 87609025 GOLCNCSEVJEZAP-UHFFFAOYSA-N 262.309 3.612 30 20 CHED N#Cc1csc(CNc2cccc(OC(F)F)c2)c1 93492473 NLDLWVVLOQRKDH-UHFFFAOYSA-N 280.299 3.833 30 20 CHED Cc1cc(C)c(C#N)c(NCc2cscc2C)n1 94878130 UEFISTCQETUYAE-UHFFFAOYSA-N 257.362 3.552 30 20 CHED N#Cc1cc(F)c(NCc2ccc(F)cc2F)c(F)c1 111144246 XCPVLNIZDBGNKL-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(C#N)cc1 113317193 ISOUGVBITDJZEX-LLVKDONJSA-N 265.291 3.742 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1ccccc1C#N 114221032 QHODUYJECLKSHZ-LBPRGKRZSA-N 256.349 3.713 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(Sc2ccccn2)cc1 116855484 ZYPSGACHEWRUHU-ZDUSSCGKSA-N 298.411 3.927 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(Cl)ccc1C 116997607 KBHTXKKZWKQRRZ-SNVBAGLBSA-N 252.745 3.735 30 20 CHED Cc1csc(-c2ccc(OC[C@@H](C#N)CCC#N)cc2)n1 119317961 LEYDAWCSBQJQKN-CYBMUJFWSA-N 297.383 3.941 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1 120674598 AAUQBJZAPKRXBB-CYBMUJFWSA-N 285.174 3.661 30 20 CHED N#Cc1cc(CN2CCS[C@H]3CCCC[C@@H]32)ccc1F 122097901 AQQKFPBBQZURSR-HOTGVXAUSA-N 290.407 3.557 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCc1ccoc1 124645266 RXZBCHSIQNJLNN-UHFFFAOYSA-N 266.222 3.782 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1C#N 127017492 SWMQXBPBVYUDEP-JKSUJKDBSA-N 276.339 3.609 30 20 CHED C[C@@H]1CC[C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)O1 128512187 OPVWLGIQENUUQJ-SKDRFNHKSA-N 284.281 3.556 30 20 CHED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)C=C(C)C)cc1 128584167 RVRYZNUZKMXCDL-MRXNPFEDSA-N 298.386 3.643 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 128690793 NSPSVNYRMCUMOE-ZIAGYGMSSA-N 298.292 3.579 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 132103393 NOCXRRUBIBDRGW-WDEREUQCSA-N 261.325 3.703 30 20 CHED C=CCC(CC=C)C(=O)N[C@](C)(C#N)CCc1ccccc1 132133722 JAQCLFSOLLQSOW-IBGZPJMESA-N 296.414 3.786 30 20 CHED C=CCC[C@H](NC(=O)c1cccnc1)c1ccccc1 133837238 DGKDXZSOFNRHMR-INIZCTEOSA-N 266.344 3.519 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)CCSC)c1ccccc1 135236608 KTWTUBFMUVVTEV-KBPBESRZSA-N 277.433 3.604 30 20 CHED C[C@@H](NCc1cc(F)c(F)cc1F)c1ccc(C#N)cc1 135848336 WBPRZLQBNXSPCN-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1scnc1CC 137229205 OAKJRCAQDSXJPT-UHFFFAOYSA-N 286.400 3.534 30 20 CHED COc1ccc(CN[C@@H]2CCCC(C)(C)C2)cc1C#N 149370774 BEGPWXBFKYUWNU-OAHLLOKOSA-N 272.392 3.625 30 20 CHED O=C(/C=C/c1ccc(Cl)s1)c1cc(O)cc(O)c1 152686506 MMHYMGDTKKVQKB-HNQUOIGGSA-N 280.732 3.709 30 20 CHED CC(C)[C@H](NC(=O)CC#N)c1ccc(C(C)(C)C)cc1 153522239 PWRAXNQRJDHDRU-INIZCTEOSA-N 272.392 3.711 30 20 CHED C#Cc1cccc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1 154464123 HGYLVXRMMCCQRL-RDTXWAMCSA-N 290.366 3.893 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN(CCC#N)Cc2cccnc2)o1 159052281 ZJYGNCDZBJIFGL-PBHICJAKSA-N 295.386 3.714 30 20 CHED C/C(=C/C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1 160076866 GOTPMIUWKKVONY-QBFSEMIESA-N 286.350 3.572 30 20 CHED C=CCC[C@@H](NC(=O)C1=C(C)OCCC1)c1ccccc1 160772460 OOLMAHBSDOGTMC-QGZVFWFLSA-N 285.387 3.895 30 20 CHED Cc1ccc(C#N)c(NCCc2c[nH]c3c(C)cccc23)n1 161556266 CLGIUWGYRDDXTB-UHFFFAOYSA-N 290.370 3.706 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C(C)=C1CCCC1 161925698 MDCHTIDGNKUJRI-UHFFFAOYSA-N 285.343 3.753 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(OCC(C)C)cc1 163515522 SMNATLXIKNQWIU-MRXNPFEDSA-N 291.435 3.965 30 20 CHED Cc1cc(OCc2ccc(C#N)cc2C)ccc1F 165568667 YCMUPKGRGCBRLX-UHFFFAOYSA-N 255.292 3.893 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CCOCC1 167149433 QNBLPAQWZGCHOC-SNVBAGLBSA-N 298.308 3.804 30 20 CHED CCCCCCCCCC(=O)NCc1ccc[nH]1 173393804 FDSVMFNVDXBWOK-UHFFFAOYSA-N 250.386 3.772 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](C)Cc1cccc(F)c1 173599911 PPYNSXFCTBRAAZ-AWEZNQCLSA-N 275.367 3.595 30 20 CHED C#C[C@H](C)OC(=O)c1csc(-c2ccccc2Cl)n1 174431362 RVNFCVJGXLDSRG-VIFPVBQESA-N 291.759 3.642 30 20 CHED C[C@H](Nc1c(C#N)cnc2ccccc12)c1cccc(O)c1 174721217 GOUVZTSTVGCHGQ-LBPRGKRZSA-N 289.338 3.985 30 20 CHED C=CCCCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 175187130 SPQSOUROBYWBFT-LLVKDONJSA-N 267.319 3.841 30 20 CHED N#Cc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1 176410458 OFNNSRZUNBNZFD-AUWJEWJLSA-N 263.271 3.520 30 20 CHED Cc1ccc(NC(=O)/C=C/c2ccccc2C#N)c(C)c1O 178792343 LSQBTJKZIHQAFR-CSKARUKUSA-N 292.338 3.533 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)CC[C@H]1C 179524832 VOHMXKZEOAAWIZ-DGCLKSJQSA-N 271.364 3.519 30 20 CHED C#CCCCCC(=O)Nc1c(F)cccc1N1CCCC1 180001545 KEJHLHJYYYGFRV-UHFFFAOYSA-N 288.366 3.558 30 20 CHED COc1ccc(C(=O)OC(C)(C)C#N)cc1-c1ccccc1 181850376 ZDJKYIQFHMCHKP-UHFFFAOYSA-N 295.338 3.821 30 20 CHED C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 181991809 HDTMVTAVGDWEAY-RLFYNMQTSA-N 286.419 3.804 30 20 CHED N#Cc1ccsc1NC(=O)CCc1ccc2[nH]ccc2c1 182234123 VBASFKQGRKGIEL-UHFFFAOYSA-N 295.367 3.672 30 20 CHED CCC[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C#N)c1 184880012 XPZLPJPLAQTZQR-AWEZNQCLSA-N 289.354 3.884 30 20 CHED N#CC1CCN(CC2CCC(C(F)(F)F)CC2)CC1 185505988 VWWAZDZDNITZLM-UHFFFAOYSA-N 274.330 3.591 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(Cl)s1 187512104 ULJKNNNUEBCORX-UHFFFAOYSA-N 284.812 3.946 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@H]1C=CCCC1 188255438 DFKPUZSXHGYJEZ-ZDUSSCGKSA-N 287.334 3.523 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 188550662 JUBSYMSZJJLYPE-KSSFIOAISA-N 289.419 3.592 30 20 CHED C=CCN(C)C(=O)Nc1ccc2nc(C3CC3)sc2c1 188777164 FDYBDWUYXBEINV-UHFFFAOYSA-N 287.388 3.823 30 20 CHED C=CC[C@@H](C(=O)Nc1c(C)noc1CC)c1ccccc1 188869580 RXKXUXDRZFHYPV-CQSZACIVSA-N 284.359 3.844 30 20 CHED C=C(C)CNC(=O)c1c(-c2ccccc2)oc(C)c1C 189197232 GVMSRZPHQPPCRO-UHFFFAOYSA-N 269.344 3.869 30 20 CHED N#CCCC[S@](=O)C(c1ccccc1)c1ccccc1 190726762 OJWKAIWVDDXEMP-FQEVSTJZSA-N 283.396 3.828 30 20 CHED C[C@@H](SC[C@@H]1CCCCO1)c1cccc(C#N)c1 190782565 DHTZAVKQRCIETB-DOMZBBRYSA-N 261.390 3.922 30 20 CHED C=C(Cl)CS[C@@H](C)c1ccc(S(C)(=O)=O)cc1 190917121 MTRKWNMWPQEPDW-JTQLQIEISA-N 290.837 3.637 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccccc2OC)no1 191157274 PTLMGUNAGNGASC-OAHLLOKOSA-N 258.321 3.599 30 20 CHED CC(C)(CCC#N)CNCc1ccc(C2CC2)cc1 191684186 TYOUGBBGIHTZOB-UHFFFAOYSA-N 256.393 3.984 30 20 CHED C#CCCCC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 192097141 WLBUYJUVSWDLIR-MRXNPFEDSA-N 269.388 3.719 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1F 192361355 GWYVRSCFEBYCGE-QGZVFWFLSA-N 296.345 3.570 30 20 CHED O=C(/C=C/c1cc(Br)cs1)c1ccncc1 192762982 BKRSUQCSXUTWNL-OWOJBTEDSA-N 294.173 3.802 30 20 CHED C=CCSCCNC(=O)Nc1ccc(F)c(Cl)c1 194596540 FLLPMQWIFBEKID-UHFFFAOYSA-N 288.775 3.520 30 20 CHED N#Cc1ccc(CN(Cc2ccccc2C#N)C2CC2)cc1 194963816 VKTPKBYNLJIVKP-UHFFFAOYSA-N 287.366 3.595 30 20 CHED CCC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCC2 195210622 QTIUNNFUNCWHKM-SNVBAGLBSA-N 276.405 3.873 30 20 CHED N/C(=N/OC/C=C\c1ccccc1)c1cccc(Cl)c1 207284941 URZGKWOYDPBCND-YVMONPNESA-N 286.762 3.690 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cccc(C#N)c1 208313236 SSYPINJVYRVLLC-FPLPWBNLSA-N 277.323 3.771 30 20 CHED N#Cc1ccc(NCC2(C3CC3)CC2)cc1Br 232460958 NOKQJRAZWCOKOB-UHFFFAOYSA-N 291.192 3.923 30 20 CHED CC(C)(C#N)CCCCOc1ccccc1[N+](=O)[O-] 232522113 LPKSLEYSUPFPJU-UHFFFAOYSA-N 262.309 3.694 30 20 CHED N#CCSCc1nc(-c2ccc3ccccc3c2)no1 236222887 UBRXTXNRGZULIN-UHFFFAOYSA-N 281.340 3.647 30 20 CHED C[C@@H]1CCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 237413451 PYQIKIQXFHHTLJ-DOMZBBRYSA-N 281.321 3.835 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 249780610 ZHSAQYAIWOPHED-BQFCYCMXSA-N 299.414 3.646 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1scnc1C)CO2 255547652 LXUHJYQESXRVIK-SDQBBNPISA-N 285.368 3.727 30 20 CHED N#CC1(NC(=O)/C=C\c2ccc(Cl)s2)CCCCC1 255552801 SHSWIADDGUQBHG-ALCCZGGFSA-N 294.807 3.757 30 20 CHED Cc1cc(C)cc([C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1 266483814 UHJVUKBHJFTQJF-HNAYVOBHSA-N 294.398 3.559 30 20 CHED C=CCCCC(=O)Nc1cccc(N2CCCC2)c1 267188739 OTBBMIDMIJFAJT-UHFFFAOYSA-N 258.365 3.582 30 20 CHED CC(C)[C@@H](C#N)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 271453163 QAXRGXGLUKCSJW-SWLSCSKDSA-N 292.810 3.573 30 20 CHED C=CCN(C(=O)CCCCOc1cccc(C)c1)C1CC1 271458508 FSZMEOMLQOMXSF-UHFFFAOYSA-N 287.403 3.721 30 20 CHED Cc1cnn(CCCCCN[C@H](C)c2ccc(C#N)cc2)c1 271620577 CUKMAZMYKGDLGW-MRXNPFEDSA-N 296.418 3.584 30 20 CHED C=C(C)CCSc1nnc(C2CC2)n1Cc1ccco1 274725602 JEMXKDZZBOWJHY-UHFFFAOYSA-N 289.404 3.855 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)c1sc(C)nc1C 281504737 WZPVYAYSLZGSLR-WCQYABFASA-N 295.452 3.817 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1cc2ccccc2o1 282335173 OKPWAGVGGRQWBK-DYEKYZERSA-N 254.333 3.776 30 20 CHED CC(C)(C#N)c1nc(C2(c3ccccc3F)CCCC2)no1 283789042 GJYKUFKNBSATJB-UHFFFAOYSA-N 299.349 3.870 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(C)nn(C)c3c2)CCC1 291299963 QTVYOUUQWJEDSF-UHFFFAOYSA-N 283.375 3.567 30 20 CHED CC(C)(C)[C@H](NC(=O)CCCC#N)c1ccc(F)cc1 291920991 NKIDSBDYHNPVJP-OAHLLOKOSA-N 276.355 3.723 30 20 CHED CC[C@H](NCCc1scnc1C)c1ccc(C#N)cc1 296651608 YWXGVYUXXHPFIP-HNNXBMFYSA-N 285.416 3.607 30 20 CHED COc1cccc([C@@H]2CCCN2c2ccc(C#N)cc2)c1 301077923 LEBROKJYUSAKBU-SFHVURJKSA-N 278.355 3.908 30 20 CHED CCc1ccc(CCNc2snc(Cl)c2C#N)cc1 301270277 JOUGALBBDKFGBT-UHFFFAOYSA-N 291.807 3.885 30 20 CHED C=C(C)CN1CCC(Nc2ccnc3ccsc23)CC1 301392505 IDWDLHQBLJZZRC-UHFFFAOYSA-N 287.432 3.749 30 20 CHED N#Cc1ccc(N2CC[C@H](Cc3ccccc3)C2)c(F)c1 301454616 YLPQFAQHWDJXRM-MRXNPFEDSA-N 280.346 3.766 30 20 CHED CCc1cnc(CN(C)c2cc(Cl)ccc2C#N)s1 301460694 DOZSKUYROCCOIY-UHFFFAOYSA-N 291.807 3.867 30 20 CHED C[C@@H](C#N)CNc1nc2cc(C(F)(F)F)ccc2s1 301502671 XZCGIYDMSWTGCN-ZETCQYMHSA-N 285.294 3.887 30 20 CHED C=C(C)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 301582545 UAVXGUACIUROJR-LLVKDONJSA-N 268.740 3.535 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@H]1CC=CCC1 301687544 QSOXBHZFVDMVLL-ZDUSSCGKSA-N 272.344 3.685 30 20 CHED N#Cc1ccc(N2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 301818380 AEUVRIREOSTYGO-KRWDZBQOSA-N 298.773 3.869 30 20 CHED C[C@H](CN(C)c1ccc(C#N)c(Cl)c1)c1nccs1 302142317 JUWNNKUYCWRODA-SNVBAGLBSA-N 291.807 3.908 30 20 CHED N#Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@@H]32)ccc1C(F)(F)F 302601099 YOPJAZCYWCKGMO-BNOWGMLFSA-N 296.292 3.556 30 20 CHED N/C(=N\CCc1cccs1)Nc1cccc2c1CCCC2 304659852 JMBDKALHQYZLKK-UHFFFAOYSA-N 299.443 3.596 30 20 CHED Cc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cc1C 307056885 DKNZDPWBKOBASO-MDZDMXLPSA-N 258.170 3.948 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C(C)(C)c2cccs2)C1 328884361 MUDJUTKHXSMADC-UWVGGRQHSA-N 280.393 3.695 30 20 CHED Cn1c(N=C(O)[C@H]2CCCC(C)(C)C2)nc2cccnc21 329475574 BENVIAXKRJHRAQ-NSHDSACASA-N 286.379 3.773 30 20 CHED CCc1nnc(C)cc1/C(O)=N/[C@@H]1CCCC[C@@H]1CC 330815865 MSBSGIZVJVOABV-SWLSCSKDSA-N 275.396 3.621 30 20 CHED CC(C)(C)C1CC(C(=O)N[C@@](C)(C#N)C(C)(C)C)C1 332079889 ZFSMADUTLXLOBU-PPUFBPAQSA-N 264.413 3.503 30 20 CHED Cc1cc(OCc2noc(C3CCCCC3)n2)ccc1C#N 332664418 OWSXXKNHYOOJNM-UHFFFAOYSA-N 297.358 3.876 30 20 CHED C[C@@H](NC1CCC2(CCOCC2)CC1)c1cccc(C#N)c1 334337741 WLWFDQUAQKUIEC-OAHLLOKOSA-N 298.430 3.948 30 20 CHED Cc1cc2c(SCC3(C#N)CCC3)ncnc2s1 334561618 AYBUPTMGMHWGGH-UHFFFAOYSA-N 275.402 3.786 30 20 CHED N#CCCC1CCN(c2ccnc3ccsc23)CC1 335378571 HPJXLBICFWFHNE-UHFFFAOYSA-N 271.389 3.816 30 20 CHED Cc1ccc(NC(=O)N2CCC(CCC#N)CC2)s1 335478115 JPTWTDRFICCNSY-UHFFFAOYSA-N 277.393 3.604 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N2CCC(CCC#N)CC2)C1(C)C 335501951 SVZMQHPRKYUALZ-KSSFIOAISA-N 290.451 3.991 30 20 CHED N#Cc1ccc(Br)c(CSc2ncco2)c1 335710109 FBFWPQPJGAWVOQ-UHFFFAOYSA-N 295.161 3.601 30 20 CHED Cc1nc(NC(=O)c2cc(C#N)ccc2Cl)sc1C 335838950 UMOKZMPEWINDQN-UHFFFAOYSA-N 291.763 3.537 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(-c2ccccc2)c1 335957005 VGIXQFPTMDNUAA-UHFFFAOYSA-N 264.328 3.842 30 20 CHED CCN(C(=O)c1ccc(C#N)s1)c1cccc(C)c1C 336309489 HHVHTNSOPYISQE-UHFFFAOYSA-N 284.384 3.903 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cccc(C2CCC2)c1 336882394 BXGASLUFAKJANF-CYBMUJFWSA-N 270.376 3.576 30 20 CHED N#Cc1cc2c(nc1NCC1CCC(F)(F)CC1)CCC2 337004209 XWUOFKPIHQIDGX-UHFFFAOYSA-N 291.345 3.679 30 20 CHED CC1CCC(N(C)c2ncc(C#N)cc2Cl)CC1 339132412 NYITZSBJUFTZIK-UHFFFAOYSA-N 263.772 3.622 30 20 CHED N#Cc1cccnc1N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 339141957 VXMXKLJIQMQCCR-OTRWWLKZSA-N 281.403 3.748 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC=Cc2ccccc21)OCC 342007167 SAVIKGLKCIUKND-QGZVFWFLSA-N 285.387 3.808 30 20 CHED CC/C=C\CCN1CCC(Oc2cccc(C#N)c2)CC1 342219382 RMJFRBGGBQWONJ-ARJAWSKDSA-N 284.403 3.758 30 20 CHED N#Cc1cc(NCCc2c[nH]c3ccc(Cl)cc23)ccn1 342266644 BLGPMTQMDDZMHZ-UHFFFAOYSA-N 296.761 3.743 30 20 CHED CC(C)n1ccnc1SCc1cc(C#N)ccc1F 343156736 BSPQCVJWQBICCM-UHFFFAOYSA-N 275.352 3.767 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 344003456 IRROSZPSUIQIGR-NSHDSACASA-N 275.314 3.534 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H](C)c2ccsc2)cc1 345748273 JJNKZSMWFAQIKM-WBMJQRKESA-N 298.411 3.795 30 20 CHED CCC[C@H](C)CC(=O)Nc1cc(C#N)ccc1NCC 346885777 BGMQYHVIXWTHPW-LBPRGKRZSA-N 273.380 3.755 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(C)nc2)CCCC1(C)C 347457945 ZHHUXVXNIAPOPD-HNNXBMFYSA-N 272.392 3.597 30 20 CHED C[C@@H](CCc1n[nH]c2ccccc12)NCC(C)(C)CCC#N 348204666 HLHPPPONLGTMKL-AWEZNQCLSA-N 298.434 3.804 30 20 CHED N#C[C@H](NC(=O)C1CCCC1)c1cccc(C(F)(F)F)c1 349471065 AXQMEJQZTROFJJ-ZDUSSCGKSA-N 296.292 3.576 30 20 CHED C=C(C)CCc1noc(-c2cnc(-c3ccccn3)s2)n1 351619330 HILVJWFGMJQVKD-UHFFFAOYSA-N 298.371 3.764 30 20 CHED Cc1c(NC(=O)N(C)C[C@H](C)C#N)cccc1C(F)(F)F 352970902 MSDXCRVVHDHFIL-SECBINFHSA-N 299.296 3.637 30 20 CHED CC(C)c1cccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)n1 353446961 GTXMOTQZTMDBCD-ZDUSSCGKSA-N 293.370 3.568 30 20 CHED N#C[C@@H]1CC[C@H](NCCn2ccc3cc(Cl)ccc32)C1 353864743 JGMFHKNPAMGAKK-DOMZBBRYSA-N 287.794 3.577 30 20 CHED C=CCCC1(C(=O)Nc2ccc3nc(C)[nH]c3c2)CC1 353875404 HWODACZTDCJDGC-UHFFFAOYSA-N 269.348 3.556 30 20 CHED COCCOc1ccc(CNc2cc(C#N)ccc2C)cc1 354843647 BSZVNAILIFTRBU-UHFFFAOYSA-N 296.370 3.504 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)NCC(C)(C)CCC#N)CC1 355252843 HYXPWHWCZHSPNJ-ZIAGYGMSSA-N 279.428 3.584 30 20 CHED C=CCCC1(C(=O)Nc2ccc3cnn(CC)c3c2)CC1 355323274 VETLHLKTERUMQQ-UHFFFAOYSA-N 283.375 3.741 30 20 CHED C[C@H]1CCN(c2ncc(C#N)cc2Cl)CC12CCC2 356795812 PXCCLHGFUSFNJK-NSHDSACASA-N 275.783 3.623 30 20 CHED CC(C)CN(CCc1cccnc1)c1ccc(C#N)cc1 358985732 VFNNLUXJWJAYQI-UHFFFAOYSA-N 279.387 3.658 30 20 CHED CSCCCN[C@@H]1CCCCc2cc(C#N)ccc21 360664859 SJEFMZUBRLMZGB-MRXNPFEDSA-N 274.433 3.668 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCc1cccnc1 360828719 ADDGDFFZYLSUCM-LJQANCHMSA-N 291.398 3.553 30 20 CHED C[C@H](N[C@H]1COc2c(Cl)cccc21)c1ccc(C#N)cc1 365972110 OZXCOQNPVKHXJY-ZBEGNZNMSA-N 298.773 3.996 30 20 CHED C=C[C@H](CC(=O)N1[C@H]2C=CC[C@H]1CC2)c1ccccc1 366920058 DZBAHYUVGNWOBE-PVAVHDDUSA-N 267.372 3.666 30 20 CHED N#Cc1cc(F)cc(OCc2ccc(F)cc2F)c1 382477761 DKWGASPVWAHINA-UHFFFAOYSA-N 263.218 3.555 30 20 CHED Cc1nc(Oc2cccc3c2OCC3)c(Cl)cc1C#N 401802296 OGYMZZFLHSCRHR-UHFFFAOYSA-N 286.718 3.642 30 20 CHED CCC(CC)(NCCC#N)c1ccc(Cl)cc1 411367585 SAANTJKRVWALJC-UHFFFAOYSA-N 250.773 3.859 30 20 CHED C[C@@H](CCC#N)N1CCC[C@@H](Oc2ccccc2Cl)C1 411402141 PAAMGASOVWGTPT-UONOGXRCSA-N 292.810 3.875 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OCC)cc1F 412907601 KJDJUECNGSGHRJ-OAHLLOKOSA-N 265.328 3.765 30 20 CHED Cc1cc(CNC[C@@H](C)CC(F)(F)F)ccc1C#N 414507784 AOUVUIZABCFEQF-JTQLQIEISA-N 270.298 3.545 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416091704 ANRBHIDESLAQHI-MRXNPFEDSA-N 282.387 3.654 30 20 CHED CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 417370376 SITVPDXNEYIAIT-IRXDYDNUSA-N 254.377 3.714 30 20 CHED C[C@H](Cc1coc2ccccc12)NCC1(C#N)CCC1 418144994 WGSVNPMHUIQHJC-CYBMUJFWSA-N 268.360 3.647 30 20 CHED C=CCOCCSCc1ncc(-c2cccc(F)c2)o1 419505246 JAXXSDSNTMLQRG-UHFFFAOYSA-N 293.363 3.917 30 20 CHED CN(C(=O)NCC(C)(C)CC#N)[C@@H]1CCC[C@@H]1C(C)(C)C 419508166 QMRNAGPQCCMWTD-UONOGXRCSA-N 293.455 3.782 30 20 CHED CC[C@@H](NCc1cc(C)nc(C)c1)c1ccc(C#N)cc1 421858110 QGMBRRSWRGJJCL-GOSISDBHSA-N 279.387 3.811 30 20 CHED Cc1cccc(C[C@@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)c1 424316221 AVBJRAXCBSLBOU-CGTJXYLNSA-N 268.404 3.598 30 20 CHED CC(C)O[C@H](CN(CC#N)C1CCCC1)c1ccccc1 428247260 TUIXVHAVWDYEIF-GOSISDBHSA-N 286.419 3.921 30 20 CHED C=CCN(CCC#N)[C@@H](C)c1ccc(Br)cc1 428836139 BBIPAGDXZOXERN-LBPRGKRZSA-N 293.208 3.912 30 20 CHED C=CCOc1cccc(NS(=O)(=O)[C@@H](CC)CCC)c1 431538267 LRHQYJZAXWBQAJ-HNNXBMFYSA-N 297.420 3.572 30 20 CHED CC(C)(C)CCCC(=O)N1CCCC(C)(C)[C@H]1C#N 434031146 LQEOLCPPLCLWLE-CYBMUJFWSA-N 264.413 3.744 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N1CCCC(C)(C)[C@@H]1C#N 434032507 RRJMODICXVJMQD-ZFWWWQNUSA-N 276.424 3.744 30 20 CHED C[C@H]1CCC[C@H](N(C)C(=O)C2(c3cccc(C#N)c3)CC2)C1 435041452 ITLKCWPMXFBSGZ-YOEHRIQHSA-N 296.414 3.627 30 20 CHED C[C@H](N(C)CC#Cc1cccc(Cl)c1)C1(C)CC1 438569443 SGEVUUZGXVFBRF-ZDUSSCGKSA-N 261.796 3.812 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc(Oc3ccccc3)nc2)C1 442782612 LJFZJXFGXOFZNT-ZBFHGGJFSA-N 293.370 3.656 30 20 CHED CCOc1ccc(Cl)cc1CCN[C@H]1CC[C@@H](C#N)C1 442821394 DPSFCKBQMMNJFN-DOMZBBRYSA-N 292.810 3.563 30 20 CHED CCOc1cc(Cl)ccc1N[C@H]1CC[C@H](C#N)C1 442880235 XAZIBVIZSFPPGN-JQWIXIFHSA-N 264.756 3.843 30 20 CHED Cc1ccc(F)c(NCc2ccc(C#N)c(C)c2)c1 443998297 OPIKCELCQKDIFD-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=CCCCC[C@@H](C)NCC(=O)Nc1c(C)cccc1C 449222353 WHAGBUQRXBAWLQ-MRXNPFEDSA-N 288.435 3.966 30 20 CHED Cc1csc([C@@H](C)CNC2CCC(C)(C#N)CC2)n1 449238496 RNDLVOXHEKNVIX-ZOODHJKOSA-N 277.437 3.617 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CC2CC(F)(F)C2)cc1 449468831 QSYBNPMTGZGPHU-UHFFFAOYSA-N 292.329 3.862 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)Cc1ccc(C(F)(F)F)cc1 449521851 SRZIJTIYRBMLQV-DFBGVHRSSA-N 299.336 3.570 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(CC#N)c1 452413588 DUZSTXHZTPGRNM-NVXWUHKLSA-N 284.403 3.699 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)c1cc(C#N)cs1 452505131 AMCLIAZIMCIHNG-HNNXBMFYSA-N 276.405 3.661 30 20 CHED CC1(C)CC=C(C(=O)Nc2ccc(CC#N)cc2)CC1 454336426 MQAXJQCWUBMZKG-UHFFFAOYSA-N 268.360 3.828 30 20 CHED C=C(CC)CNC(=O)Nc1c(C)cccc1OC(F)F 454713685 UBTVBIHMUIFTGL-UHFFFAOYSA-N 284.306 3.684 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1c1ccccc1C 455525192 QPVROWBYLWMHRY-INIZCTEOSA-N 272.392 3.808 30 20 CHED C=CCC1(NC(=O)c2noc3c2CCCC3)CCCCC1 456389225 XNBSBSZOBAXGON-UHFFFAOYSA-N 288.391 3.562 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 456809151 ARBLTVLQGTYESW-WDEREUQCSA-N 281.758 3.665 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)[C@@H](C)c1cccc(C#N)c1 457251397 ZXYRKSCLMPZGOI-QANKJYHBSA-N 284.403 3.603 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](C)[C@@H]1C 460552500 OJADMNZXSIHZFJ-GJZGRUSLSA-N 296.418 3.756 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(C)c1cccc(C)c1 460773345 JQZLJADVJSWAEE-UHFFFAOYSA-N 282.391 3.808 30 20 CHED C[C@H]1Cc2ccccc2N1C(=O)[C@H](C)c1cccc(C#N)c1 463070574 OOPPKVCZUJGIRI-UONOGXRCSA-N 290.366 3.640 30 20 CHED Cc1ccc(CCCC(=O)N[C@](C)(C#N)C(C)(C)C)s1 464172029 WELGFBCVXKEHLV-MRXNPFEDSA-N 292.448 3.824 30 20 CHED CC#CCCCC(=O)NCc1ccc(C(C)(C)C)cc1 464568743 UYFCBGXXBIGNJY-UHFFFAOYSA-N 271.404 3.794 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2c3c(cccc13)CC2 465151934 BEZFTXKBZHMRRR-NSHDSACASA-N 266.344 3.634 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2c(Cl)cccc21 466377204 CBXDVEYNHVUESA-NSHDSACASA-N 278.783 3.767 30 20 CHED C[C@H]1CC(C)(C)C[C@H]1NCCc1cccc(C#N)c1 466423152 BYEORDFTJAWHHT-XJKSGUPXSA-N 256.393 3.515 30 20 CHED C[C@@]1(CNc2ccc(C#N)c(Cl)c2)CCO[C@H]1C1CC1 466630767 KEBFQVGOQFXUSZ-HOTGVXAUSA-N 290.794 3.829 30 20 CHED C=CCCO[C@H](C)C(=O)NC1CCC2(CCCCC2)CC1 470091110 ACPFCYBVHQZQNM-OAHLLOKOSA-N 293.451 3.977 30 20 CHED C=CCCC1(C(=O)N[C@H](C)Cc2ccccc2C)CC1 474957770 YCNDNCNKVCCKHN-OAHLLOKOSA-N 271.404 3.789 30 20 CHED C=CCCC1(C(=O)NC[C@H](C)c2ccc(F)cc2)CC1 475170732 AYPWFXLCSKTLSN-ZDUSSCGKSA-N 275.367 3.792 30 20 CHED CCCC[C@@H](S[C@@H](C#N)C1CCCCC1)C(=O)OC 475885023 RWBJVEPPBZHWOG-KGLIPLIRSA-N 283.437 3.924 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCC1(C)C 476271499 AOBOSYXVCMEGGS-HNNXBMFYSA-N 275.392 3.663 30 20 CHED COc1ccc(N(C#N)Cc2ccc(Cl)cc2C#N)cc1 478762645 OGAQHNBZGHXKNC-UHFFFAOYSA-N 297.745 3.708 30 20 CHED C=CCOCCCOc1ccccc1N1CCC[C@H](C)C1 478817457 VQFRIMFPGJOBED-INIZCTEOSA-N 289.419 3.894 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(Oc2ccccc2)nc1 479306495 BFSNGZAXCUSHJS-UHFFFAOYSA-N 282.343 3.522 30 20 CHED N#Cc1cccnc1N1CCC(c2cccc(Cl)c2)CC1 480783942 AVXSFGIAHMCPER-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C=CCN1CCC(N[C@@H](C)c2cc(C)ccc2C)CC1 482638565 QNXQWEQBLVZIKQ-INIZCTEOSA-N 272.436 3.604 30 20 CHED C=CCN(CCOC)Cc1cccc(OC2CCCC2)c1 483411170 AVEMFYMUZGBRBB-UHFFFAOYSA-N 289.419 3.642 30 20 CHED Cc1ccnc(NC2(Cc3ccccc3)CCC2)c1C#N 486012992 CKITXBZBIIREPN-UHFFFAOYSA-N 277.371 3.839 30 20 CHED Cc1[nH]c(=N[C@H](c2ccc(F)cc2)C(C)C)ccc1C#N 487761479 LYYXJXUIDZVOQC-KRWDZBQOSA-N 283.350 3.632 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCOc1cc(C)ccc1C 488830473 FLTJSCVBNWISGE-MRXNPFEDSA-N 287.403 3.639 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](CC)c1ccccc1 489940143 GCFRJRCMACUHBC-HNNXBMFYSA-N 259.393 3.899 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1ccccc1C 491125705 GSCXAROYFUPWEP-UHFFFAOYSA-N 278.355 3.662 30 20 CHED C#C[C@H](NC1CCSCC1)c1ccc(Cl)cc1F 491706781 XDIXVUXXDODYRX-AWEZNQCLSA-N 283.799 3.639 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1cc(Cl)ccc1SC 491752956 XQCZLSCJCWGOFJ-VIFPVBQESA-N 282.796 3.547 30 20 CHED CC(C)(CCC#N)CNC(=O)/C=C\c1ccc(Cl)cc1 492843129 SWJXVZQYAAVJQU-TWGQIWQCSA-N 290.794 3.799 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H](C)CCCC 500850709 SVCXYGHCIJPWMJ-CQSZACIVSA-N 275.392 3.694 30 20 CHED CCCN(CC#N)CCSc1ccc(Cl)cc1 506895933 KQVOULLBZNPUBF-UHFFFAOYSA-N 268.813 3.668 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC(C1CCC1)C1CCC1 511628077 MJDNVZQMBRSVCX-OAHLLOKOSA-N 276.424 3.705 30 20 CHED COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1Cl 514855370 RBLAIOJUJACPAK-NTZNESFSSA-N 278.783 3.691 30 20 CHED Cc1ccc(C)c(N(C)Cc2cccc(C#N)c2)c1 515742982 DMFUYDPQEDHCQG-UHFFFAOYSA-N 250.345 3.812 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@H](C)CCC=C(C)C 522003522 FXOMQTNVTSDLOS-HUUCEWRRSA-N 264.413 3.767 30 20 CHED CC#CCN1CCC(Oc2ccc(C(C)C)cc2)CC1 525633991 RGDOJBRMRQUWAJ-UHFFFAOYSA-N 271.404 3.677 30 20 CHED CC(C)(C#N)Cc1nc(Cc2ccc(F)c(Cl)c2)no1 528225803 KYSDIELAMDZRBP-UHFFFAOYSA-N 293.729 3.545 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC(F)(F)C[C@@H]1C 528949281 SUOPCDHNIJXVQB-NSHDSACASA-N 293.317 3.518 30 20 CHED CC[C@](C)(NCc1ccc(F)cc1C#N)C(F)(F)F 532720932 ISTWHOZOUMTSHJ-LBPRGKRZSA-N 274.261 3.518 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccc(CC#N)cc1 533884985 RSCJFYXMYRVMIZ-AWEZNQCLSA-N 272.392 3.699 30 20 CHED C=C(CC)CSc1nncn1-c1ccccc1C 538009783 ITUZKAQYYGGFAY-UHFFFAOYSA-N 259.378 3.634 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)C1CCC(C)CC1 538363915 BJRDIUZXBHBYLL-SHARSMKWSA-N 266.429 3.951 30 20 CHED C[C@@H](NC[C@H]1CC=CCC1)c1ccc(C#N)c(F)c1 539610280 TXVOHRNFFHZCGI-OLZOCXBDSA-N 258.340 3.704 30 20 CHED C=C(CC)CSc1n[nH]c(=NCc2ccccc2)s1 540216881 VYZNTQUXJDXZRP-UHFFFAOYSA-N 291.445 3.630 30 20 CHED Cc1cccc(O[C@H](C)CN[C@H](C)c2ccc(C#N)cc2)c1 540593666 NBIXXCOCJHCUJM-HZPDHXFCSA-N 294.398 3.985 30 20 CHED Cc1ccc(O[C@H](C)CN[C@H](C)c2cccc(C#N)c2)cc1 540593673 NBMWPUILBDIBMW-HZPDHXFCSA-N 294.398 3.985 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccccc1OC(C)C 540827185 RIKJEYIMPGSTFD-OAHLLOKOSA-N 290.407 3.628 30 20 CHED N#Cc1ncccc1NC[C@@H](c1ccccc1)C(F)(F)F 555135337 ILVIOWUSDCIWLQ-LBPRGKRZSA-N 291.276 3.711 30 20 CHED N#CCC1CCN(CCc2ccccc2Cl)CC1 561606728 FXHNVAGRINUUIP-UHFFFAOYSA-N 262.784 3.508 30 20 CHED Cc1cc(C)cc(C2=CCN(c3cccnc3C#N)CC2)c1 567290801 PLCYLPQPUZEJHM-UHFFFAOYSA-N 289.382 3.864 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C)c(C(C)=O)c1 571579182 HZFHPLMQVDQVBV-UHFFFAOYSA-N 274.364 3.531 30 20 CHED C[C@H]1C[C@H](C(=O)N(C)c2cccc(C#N)c2)CC[C@H]1C 573291448 SXMPEUZZZYQRGN-VNHYZAJKSA-N 270.376 3.593 30 20 CHED Cc1cscc1CNC(=O)c1ccc(C#N)c(Cl)c1 575967491 MFNYGAKGZRJRNE-UHFFFAOYSA-N 290.775 3.512 30 20 CHED Cc1csc(NC(=O)N2CC[C@H](CC(C)C)C2)c1C#N 576715896 QAVWXILGLIZTMF-GFCCVEGCSA-N 291.420 3.828 30 20 CHED Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1F 577665830 FVBUZNNCWJKVTM-SFHVURJKSA-N 280.346 3.783 30 20 CHED C=CCC(C)(C)c1noc(/C=C/c2cccc(C#N)c2)n1 583039615 MLMFOSDCGVWORB-CMDGGOBGSA-N 279.343 3.965 30 20 CHED CCN(CCc1cccs1)C(=O)CCCCCC#N 588280180 IKBPIEQFROBAKR-UHFFFAOYSA-N 278.421 3.613 30 20 CHED CN1C(=O)CCc2cc(/C=C3\CCCC(C)(C)C3=O)ccc21 588508897 SHOQMGKYHHVTRD-NTCAYCPXSA-N 297.398 3.758 30 20 CHED Cn1nccc1C(=O)/C=C\c1cc2ccccc2s1 588594901 DJGZODQEMNXNEZ-SREVYHEPSA-N 268.341 3.531 30 20 CHED N#CCCCCCC(=O)N1CC(c2cccc(Cl)c2)C1 591085419 DLMHBYZERIDUDX-UHFFFAOYSA-N 290.794 3.740 30 20 CHED C=CCCCCS[C@H](C)C(=O)NCCc1cccs1 591401012 UVTVBIDRFPRFBM-CYBMUJFWSA-N 297.489 3.885 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC1=CCCCC1 593940005 CMLICDSQKDLUOH-HNNXBMFYSA-N 296.414 3.744 30 20 CHED CCCn1ncc(NCCc2ccc(C#N)cc2)c1C1CC1 594704799 NRZBALIVRIWRLV-UHFFFAOYSA-N 294.402 3.697 30 20 CHED CCCC[C@@H](CC)CNC(=O)N1CCC[C@@H](CC#N)C1 595435567 QNQIQKQIEXAPOQ-CABCVRRESA-N 279.428 3.538 30 20 CHED C[C@H](CCNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 595478462 DFDWPCZVWHHHLM-HZPDHXFCSA-N 299.418 3.515 30 20 CHED CCc1nc(C#N)cc(S[C@@H](C)c2ccccc2OC)n1 596138140 GCQBBDYKHOUJDZ-NSHDSACASA-N 299.399 3.773 30 20 CHED CC1(CNC(=O)CC2(C#N)CCCCC2)CCCC1 597185164 SLCFPKHDXFNCON-UHFFFAOYSA-N 262.397 3.547 30 20 CHED CCc1ccc(C2CCN(C(=O)[C@@H](C#N)CC)CC2)cc1 600681877 KFMYKDXFTZYGQV-OAHLLOKOSA-N 284.403 3.505 30 20 CHED Cc1c(O)nc(S[C@@H](C#N)C2CC2)nc1-c1ccccc1 601079992 KGUHMOKITMELPB-ZDUSSCGKSA-N 297.383 3.552 30 20 CHED CC(C)(C)c1ccc(NCc2cccc(C#N)n2)cc1 602486050 XHBPWVVOFAMLRI-UHFFFAOYSA-N 265.360 3.863 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCC[C@@H]1C[C@H]2CC[C@H]1C2 602531038 VSQGQXNPFLCZOO-LUKYLMHMSA-N 290.451 3.501 30 20 CHED COC[C@@H](CNC[C@H](C)CCC#N)c1ccc(Cl)cc1 602676479 QNELQJSRVNJZIP-UKRRQHHQSA-N 294.826 3.599 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H](C)CC1(C#N)CCOCC1)CC2 602697163 DCOYQJNLDXVTHN-MAUKXSAKSA-N 298.430 3.671 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2cscc2Cl)C1 603168833 IEZKZQVVKKKGAR-LBPRGKRZSA-N 283.784 3.559 30 20 CHED C=C(CNCc1cc2ccccc2nc1O)c1ccccc1 605812576 XVVLHIBIBCRWAN-UHFFFAOYSA-N 290.366 3.743 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C(C)C)n2CC2CC2)C1 612693608 CDDNIZUSLXMCOW-AWEZNQCLSA-N 288.439 3.604 30 20 CHED CCC(C)(CC)C(=O)N[C@H](C)c1cccc(C#N)c1 613399637 USJMAZLOZHFAMQ-GFCCVEGCSA-N 258.365 3.562 30 20 CHED CSCCCCCN=c1c(C#N)c[nH]c2c(C)cccc12 614149477 KNTOUWXBXNDXFR-UHFFFAOYSA-N 299.443 3.782 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)c1cc2ccccc2o1 615092174 GUHAYWREQAKWAX-LBPRGKRZSA-N 277.327 3.550 30 20 CHED Cc1noc([C@@H](C)S[C@@H](C)c2cccc(C#N)c2)n1 615465041 LLMRAZPZHMEVNQ-VHSXEESVSA-N 273.361 3.805 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)c(F)c1)CC2 616763593 IFAAGKFTVBXJJW-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 618795102 BHDMWWVDTGKEGI-DOXZYTNZSA-N 294.398 3.985 30 20 CHED C=CCN(C(=O)c1cc(C)sc1C)C(C)(C)C 622942924 GVISGTYHRXWBBS-UHFFFAOYSA-N 251.395 3.792 30 20 CHED C=CCC1(C(=O)Nc2cc(C)cc(O)c2)CCCC1 629630378 UCHNEXSGJDGYCB-UHFFFAOYSA-N 259.349 3.776 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCCO[C@H](c2ccccc2)C1 644626455 LDCUHRQSHFHWKS-INIZCTEOSA-N 287.403 3.579 30 20 CHED C=C(C)CCc1noc(Cn2ccc3ccc(F)cc32)n1 647401510 BBONZOQCBCEJAV-UHFFFAOYSA-N 285.322 3.720 30 20 CHED C=CCC1(C(=O)N2CC[C@@H]3[C@@H]2[C@@H]3C(F)(F)F)CCCC1 649043105 JOZKHXIMDNNGIU-QJPTWQEYSA-N 287.325 3.532 30 20 CHED C=C(C)CCNC(=O)NCc1cccc2ccsc12 651132313 QLWCHHDVDZCERD-UHFFFAOYSA-N 274.389 3.667 30 20 CHED C=CCC[C@@H](CC)N[C@@H](COC)c1cccc(OC)c1 658162232 CSFVUCSBWWZCOV-WBVHZDCISA-N 277.408 3.717 30 20 CHED C=CCN(C(=O)Nc1ccccc1CCC)[C@@H](C)COC 665454457 SDFPVHPTAZZQMS-AWEZNQCLSA-N 290.407 3.694 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1CCc2ccccc21 666407726 MVCYPYUCVSJYPT-OAHLLOKOSA-N 272.392 3.718 30 20 CHED N#CCc1ccc(CSc2nccn2C2CC2)cc1 689792858 XDJIJPZKWIEAPT-UHFFFAOYSA-N 269.373 3.576 30 20 CHED C[C@@H](C#N)Oc1ccc(C=NNc2ccc(F)cc2)cc1 727683273 DTCFNTHXEBGDEK-LBPRGKRZSA-N 283.306 3.563 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2ccc(O)c(F)c2)c1 728438179 BOEBXVHFTDCVCM-VURMDHGXSA-N 298.313 3.992 30 20 CHED C=CCOCC(=O)Nc1ccc(SC(C)(C)C)cc1 729362722 XSOCHOKVVUDYST-UHFFFAOYSA-N 279.405 3.718 30 20 CHED CCc1ccc(C=Nn2cnc3ccccc32)s1 731152217 YGYDDFQQYNEXGB-UHFFFAOYSA-N 255.346 3.542 30 20 CHED CC(C)[C@@H](C#N)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 731881521 FKEJNZFAKJHYDU-JXMNSVBMSA-N 284.403 3.662 30 20 CHED c1ccc2[nH]c(NN=C3CCC[C@H](C4CC4)C3)nc2c1 737418228 RQAFESQIWNUCNG-LBPRGKRZSA-N 268.364 3.931 30 20 CHED COc1ccc(CCNN=C2CCC[C@H](C3CC3)C2)cc1 737440790 PQKIYFDSMFOZFJ-INIZCTEOSA-N 286.419 3.784 30 20 CHED Oc1cccc(/C=N/[C@@H]2CCC[C@H]2Cc2ccccc2)c1O 737440851 SJQRDJJTFCLTOA-CURYYVDXSA-N 295.382 3.928 30 20 CHED COc1cccc(O)c1/C=N\CCc1cc2ccccc2o1 739426424 LVOVFWDUKUEDOT-UNOMPAQXSA-N 295.338 3.809 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@H](CC)C(C)C 741637939 AMFDLRZCDGITKP-ZDUSSCGKSA-N 291.366 3.849 30 20 CHED C#CCOc1ccc(F)cc1NCc1ccc(F)cc1 742262972 MSCBDACANUVLAE-UHFFFAOYSA-N 273.282 3.589 30 20 CHED Cc1cccc2c(N(C)CC3CCC3)c(C#N)cnc12 742407209 CRPJJADWMVUVDT-UHFFFAOYSA-N 265.360 3.651 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(OCC#N)cc2)C1 743860717 RTMOLGNRPWKXCA-QGZVFWFLSA-N 272.392 3.601 30 20 CHED C=CCSCCNC(=S)Nc1ccc(C)cc1C 745019691 RNFBJHIDTCVJJJ-UHFFFAOYSA-N 280.462 3.509 30 20 CHED CCCCO[C@@H]1CC(=NNc2ccc(Cl)nn2)C1(C)C 747626060 RELSXACTKZZCEQ-LLVKDONJSA-N 296.802 3.513 30 20 CHED CC(=NNc1ccccc1)c1ccc(N2CCCC2)cc1O 748247246 SEFOOARKXLWPCO-UHFFFAOYSA-N 295.386 3.829 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(C#N)cs2)ccc1O 748440141 IICYQFKPOJJYOS-HWKANZROSA-N 269.325 3.530 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1 748998631 NDKYUUGJBBJYCI-XFSBKJJWSA-N 298.729 3.533 30 20 CHED CC(C)=CCCC(C)=NNc1nc(-c2ccncc2)no1 749157819 KCCVHGKCBLRDTE-UHFFFAOYSA-N 285.351 3.666 30 20 CHED C=CCOc1ccc(C(=O)N(CCC)c2cccnc2)cc1 750120967 BIFBHSZAHGQRTL-UHFFFAOYSA-N 296.370 3.703 30 20 CHED CC(=O)Nc1ccc(/C=C/C(=O)c2coc(C(C)C)n2)cc1 752891902 VYFNNFWBWXVJTB-RMKNXTFCSA-N 298.342 3.653 30 20 CHED COc1cccc(OC)c1/C=C1\CCc2ccccc2C1=O 753860020 WRYXSVPVEGSBQF-WYMLVPIESA-N 294.350 3.916 30 20 CHED N#Cc1ccc(C=NNc2cc(C(F)(F)F)ccc2F)o1 753937216 CWJYEUKUKABERA-UHFFFAOYSA-N 297.211 3.755 30 20 CHED Fc1ccc(NN=Cc2cccc3[nH]ccc23)c(F)c1 755463957 HPVICYLOOUXDSS-UHFFFAOYSA-N 271.270 3.892 30 20 CHED COc1ccc(NN=C[C@@H]2CCc3ccccc32)cc1 755801045 GCVUFDDZIAMQOD-AWEZNQCLSA-N 266.344 3.823 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cc(F)cc(F)c1 755892787 KAJWPLJBRVLFRZ-UHFFFAOYSA-N 271.270 3.673 30 20 CHED O=C(/C=C/c1cc2ccccc2o1)c1cc(O)ccc1O 757467656 IHOBKBKGXFOFDC-SOFGYWHQSA-N 280.279 3.740 30 20 CHED CCC(=NNc1nc(O)c2ccccc2n1)c1ccccc1 757583029 IPEVGAARABIUTI-UHFFFAOYSA-N 292.342 3.562 30 20 CHED CCCCCCCOC(=O)c1sc(COC)nc1C 758847908 ZTSJXIVKPQESSN-UHFFFAOYSA-N 285.409 3.725 30 20 CHED COCCCC(C)=NNc1nc2ccccc2s1 759179068 IKJRGDGZAXHHJC-UHFFFAOYSA-N 263.366 3.511 30 20 CHED COc1cccc2c1C/C(=C\c1cnc(Cl)c(C)c1)C2=O 760265404 NQMFHNLMMNKAFQ-KPKJPENVSA-N 299.757 3.874 30 20 CHED CC(C)(C)OC1CC(CC/N=C\c2ccccc2O)C1 760990666 RBABZMCUSHIBOY-PDGQHHTCSA-N 275.392 3.795 30 20 CHED Clc1ccc2c(c1)C(=NNc1ccccn1)CCC2 761252558 KDBNIKCSRQQZGO-UHFFFAOYSA-N 271.751 3.888 30 20 CHED C#CCOc1ccccc1-c1noc(-c2cscc2C)n1 762000391 DQUFTXZHZGONKW-UHFFFAOYSA-N 296.351 3.786 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@@H]2c2ccccc2)nc1 763368083 JSIZKZGPTUSJFB-CQSZACIVSA-N 295.342 3.515 30 20 CHED C#CC[C@H](OC(=O)c1ccc2nc(C)sc2c1)C1CC1 764017679 YGIFCIXGWNOJHD-AWEZNQCLSA-N 285.368 3.563 30 20 CHED CC(CCc1ccsc1)=NOCc1cccnc1 764907767 AYAQFQHORHBOHX-UHFFFAOYSA-N 260.362 3.668 30 20 CHED CC(C)O[C@H]1CC(=NNc2cc(Cl)ccn2)C1(C)C 764908318 SCFZUGOYLGJYOA-LBPRGKRZSA-N 281.787 3.726 30 20 CHED Cc1cc(OC(=O)c2c(F)ccc(C)c2F)ccc1C#N 765091905 PDQOOZRHMOXCEX-UHFFFAOYSA-N 287.265 3.673 30 20 CHED Cc1cc(OC(=O)c2csc(Cl)c2)ccc1C#N 765113421 ODIINQOOSQSLAD-UHFFFAOYSA-N 277.732 3.801 30 20 CHED CC1(C)CCCN(Cc2cc3c(cc2O)CCCC3)[C@H]1C#N 766114162 VSMXPIORYHGZJM-SFHVURJKSA-N 298.430 3.785 30 20 CHED CCCCCCCCN1CCOC[C@@H]1c1c(C)n[nH]c1C 766277031 AXXNHGZACVGNKU-MRXNPFEDSA-N 293.455 3.760 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2cccc3cc[nH]c23)c1 766398287 KMNLAZAIPRJCTJ-UHFFFAOYSA-N 289.338 3.818 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@]2(C)CCCS2)cc1 766586724 VGDUCQQGQLZWGP-YOEHRIQHSA-N 289.444 3.635 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccccc1C 766772251 OKGZXWASYVHZLT-HJWRWDBZSA-N 251.329 3.849 30 20 CHED COc1ccc(Cl)cc1/C=C/C(=O)c1cncc(C)c1 767368083 YMWMBRFZBNVOCE-HWKANZROSA-N 287.746 3.948 30 20 CHED C[C@H]1CC(=NNc2ncccc2Cl)CC[C@H]1C 767370703 LXGPLVSANFUUPJ-ZJUUUORDSA-N 251.761 3.959 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)Cc2ccccc21 768194584 BUEBTBBSGZEKBP-GFCCVEGCSA-N 268.385 3.739 30 20 CHED CC[C@H]1C[C@@H](C)CN1Cc1ccc(N(C)CCC#N)cc1 769446927 DRXUMSCLHBPIRI-WBVHZDCISA-N 285.435 3.657 30 20 CHED Cn1cc(/C=C2\Cc3c(F)cccc3C2=O)c(C(C)(C)C)n1 769609597 JVDQSQMWRRUPLK-DHZHZOJOSA-N 298.361 3.679 30 20 CHED C#CCCCCCC(=O)Nc1ccnn1-c1cccc(F)c1 770101533 JSPRILHKGMPMDS-UHFFFAOYSA-N 299.349 3.534 30 20 CHED Cc1ccc(C(C)C)c2c1C(=O)/C(=C\c1ccn(C)n1)CO2 773159589 ILNOMLCYITWGOV-LCYFTJDESA-N 296.370 3.511 30 20 CHED C#CCCCCC(=O)O[C@H]1COc2cc(Cl)ccc21 774533263 PMQCROYEXCFBFX-AWEZNQCLSA-N 278.735 3.510 30 20 CHED C(CCc1ccc2c(c1)OCCO2)=NOCc1ccccc1 774588554 FHTNLWRISOBZCA-UHFFFAOYSA-N 297.354 3.593 30 20 CHED N#CCOc1ccc(COc2cccc(Cl)c2F)cc1 774793803 MULMNRPTTBTTIU-UHFFFAOYSA-N 291.709 3.960 30 20 CHED COc1cc(C#N)ccc1Cn1nc(Cl)c2ccccc21 775679955 WYGSJWDANGCKCX-UHFFFAOYSA-N 297.745 3.618 30 20 CHED COC(=O)c1ccccc1NN=C/C=C\c1ccccc1 776189317 FZQFSZYHZZWZPL-OIAJVEJOSA-N 280.327 3.584 30 20 CHED CCc1cnccc1C(=O)/C=C\c1sccc1OC 776192323 OKLQHUSRYUEABE-PLNGDYQASA-N 273.357 3.610 30 20 CHED CC(C)CCC[C@H](C)NC(=O)Cc1ccccc1CC#N 776733221 UZCOHKNYLMSKMT-HNNXBMFYSA-N 286.419 3.626 30 20 CHED CC(=NOCCC(F)(F)F)c1cc(Cl)ccc1O 777456214 TZZMEZDBAXGQOU-UHFFFAOYSA-N 281.661 3.739 30 20 CHED COC[C@H](C)NN=C1CCCc2c1sc1ccccc21 777902744 TTZSRWDXCKGAJW-NSHDSACASA-N 288.416 3.566 30 20 CHED C#CCCCCCC(=O)Nc1ccc2[nH]ccc2c1 780343523 KBOYZUHLYLBBTF-UHFFFAOYSA-N 254.333 3.690 30 20 CHED COc1ccc(CCC(=O)OCCCC(C)(C)C#N)cc1 781987423 FMBUNYFIWPEAOS-UHFFFAOYSA-N 289.375 3.501 30 20 CHED CC(=NNc1cccc(Cl)c1)[C@@]1(C)CCCO1 782113492 OGHRRXMSQKUCCH-CYBMUJFWSA-N 252.745 3.697 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccc(Cl)cc1C 782438284 FWVSDTNYPUQALF-MRXNPFEDSA-N 296.794 3.920 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NNCCC(C)(C)C 782903417 VJEIKRKRYQVICI-UHFFFAOYSA-N 278.444 3.615 30 20 CHED Cc1cc(C=NNCc2ccccc2)cc2cccnc12 783813540 ODXOGMLTOGJWND-UHFFFAOYSA-N 275.355 3.667 30 20 CHED Cc1ccc(CCCOC(=O)Cc2ccc(C#N)cc2)cc1 785275413 RTIQOKBFEGGOJO-UHFFFAOYSA-N 293.366 3.585 30 20 CHED CCCCS[C@@H](C)C(=O)OCc1ccc(C#N)c(C)c1 785732986 DLNJWZQCBOATDL-ZDUSSCGKSA-N 291.416 3.832 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(Cl)cs2)C1 787269715 FGSFEQYAGVOFGM-GFCCVEGCSA-N 254.786 3.527 30 20 CHED C#CC[C@@H](NC(=O)NCc1cscc1C)c1ccccc1 787297547 YJZLRJZKIXQXBU-MRXNPFEDSA-N 298.411 3.620 30 20 CHED Clc1ccc(C=NNCCc2ccncc2)c(Cl)c1 789093104 ABXFQQZKHTZRLC-UHFFFAOYSA-N 294.185 3.555 30 20 CHED C#C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 789836173 MRLBGYDWSXKMLP-GFCCVEGCSA-N 298.317 3.761 30 20 CHED Clc1sccc1C=Nn1cnc2ccccc21 790154010 NZVLJDGOIGCGJY-UHFFFAOYSA-N 261.737 3.633 30 20 CHED C[C@H](NN=Cc1cnc(C(C)(C)C)s1)C(C)(C)C 793111815 MBCVFBQPNHSECI-JTQLQIEISA-N 267.442 3.799 30 20 CHED C=CCCCCC[C@H](C)NCc1ccnc(-n2cccn2)c1 793526233 QECGUGROYAQFCO-INIZCTEOSA-N 298.434 3.882 30 20 CHED C=CCOc1ccc(C/N=C\c2c(O)cccc2OC)cc1 794682464 VUKXNGWEXCJQPG-UYRXBGFRSA-N 297.354 3.585 30 20 CHED C(=NNc1ncnc2ccsc12)c1ccc2occc2c1 794920617 QLYATMPESUSCDA-UHFFFAOYSA-N 294.339 3.884 30 20 CHED C#Cc1cccc(NC(=O)CCOc2ccccc2CC)c1 794947342 VPIFRYKOWQNJPC-UHFFFAOYSA-N 293.366 3.638 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)[C@]1(C)CCCO1 797404286 KQNPXXRQPXMCLZ-AWEZNQCLSA-N 296.802 3.610 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1ccc2ccccc2c1 797800980 UULDQDKSDIDSOR-UHFFFAOYSA-N 277.279 3.832 30 20 CHED Cc1cc(Cl)ccc1OC(=O)c1cc(C#N)oc1C 797801072 WNKMYWJPSMPBMJ-UHFFFAOYSA-N 275.691 3.641 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)no1 798229862 FZISAEZTZZYORU-JXMROGBWSA-N 296.370 3.869 30 20 CHED CC(C)(CO)CNN=C1CCC[C@@H](C(C)(C)C)CC1 799117082 PASLZIRHSIGGSD-CYBMUJFWSA-N 268.445 3.577 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OCc1ccccc1Cl 799552970 FSJSKMRWGUMGTK-KTKRTIGZSA-N 297.741 3.968 30 20 CHED CC(C)OC[C@H](C)Nc1ccc(OC(C)C)c(C#N)c1 800519597 RXETYKVFYJULFB-ZDUSSCGKSA-N 276.380 3.571 30 20 CHED C[C@@H](C=NNc1ccnc(Br)c1)C(C)(C)C 800815763 MTCABNFEJWVVGU-VIFPVBQESA-N 284.201 3.924 30 20 CHED C#CCCCNc1c(C#N)cnc2c(Cl)cc(C)cc12 801671444 PCTNCLXGZGQLLU-UHFFFAOYSA-N 283.762 3.894 30 20 CHED COc1cc(C)ccc1CNc1nc(Cl)c(C#N)s1 804545502 YWGBRDGNTOLCBV-UHFFFAOYSA-N 293.779 3.597 30 20 CHED C=CCCCCCCNC(=O)[C@@H](C)c1ccc(C)o1 805218558 DNCDPDPOLACUKE-AWEZNQCLSA-N 263.381 3.944 30 20 CHED C#Cc1cncc(C(=O)N2CCC[C@@H]2CCC2CCCC2)c1 807099543 YPEOFZSXDPDRCW-GOSISDBHSA-N 296.414 3.638 30 20 CHED Cc1ccc(-c2nc([C@@H]3CCCCS3)no2)cc1C#N 809446304 QPSLWXXHEUFWMW-ZDUSSCGKSA-N 285.372 3.875 30 20 CHED Cc1ccc2cc(C=NOC/C=C/Cl)ccc2n1 811668193 LMPDOZJWQSIPCR-GNIZAMLWSA-N 260.724 3.646 30 20 CHED Cl/C=C/CON=Cc1csc(-c2cccs2)n1 811669643 RRJCBGYPGBVEIB-UODAJGTRSA-N 284.793 3.975 30 20 CHED Cc1nc(C)c2c(C)c(C=NOC/C=C\Cl)sc2n1 811671194 BZBFZPQTDBAHSY-UMICDYAOSA-N 295.795 3.720 30 20 CHED FC(F)SCc1ccc(C=NOC/C=C/Cl)o1 811672375 XNHCQSTXWJAEOV-QNVZSSGFSA-N 281.711 3.838 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)cc1 811685281 NSCKYFBUUBZDSP-MDZDMXLPSA-N 265.287 3.902 30 20 CHED N#Cc1c(F)cccc1/C=C1/Cc2c(F)cccc2C1=O 811689396 CAZGACNLRIBUCF-XFFZJAGNSA-N 281.261 3.659 30 20 CHED CC(C)n1cc(/C=C2/Oc3cccc(Cl)c3C2=O)cn1 811699594 UHXGMCYYPPDWDZ-AWNIVKPZSA-N 288.734 3.734 30 20 CHED C#C[C@H](NC(=O)c1cccc(C)c1)c1ccc(Cl)cc1 811947719 NAFBRMIUGYIXOV-INIZCTEOSA-N 283.758 3.753 30 20 CHED C[C@@H](C=NNc1ccccc1C(=O)O)c1ccccc1 812441936 JKHUKVNUCWCBSJ-LBPRGKRZSA-N 268.316 3.586 30 20 CHED CCCC(=NNc1nc2ccccc2[nH]1)c1ccccn1 814708304 FXBMXCHYTUKYOH-UHFFFAOYSA-N 279.347 3.574 30 20 CHED Cc1cc(NN=CC2(C)COC2)nc2ccc(Cl)cc12 814767501 KDROWOYVZUXWEL-UHFFFAOYSA-N 289.766 3.631 30 20 CHED COC(=O)c1ccccc1NN=C1CCC[C@@H]1C(C)(C)C#N 814894752 RAIIKCJBXUUDTR-ZDUSSCGKSA-N 299.374 3.591 30 20 CHED C[C@@H]1C[C@H](NN=C2CCCCC23CCCC3)CCO1 814898580 ZHMDGZYDDVAHCM-ZIAGYGMSSA-N 264.413 3.634 30 20 CHED CCC(=NOCCSC)c1ccccc1OC(F)F 814921894 IJCDZDAHFSEYKA-UHFFFAOYSA-N 289.347 3.782 30 20 CHED COC(=O)CCC[C@H]1CCCC(=NN[C@@H](C)C(C)(C)C)C1 814938256 XYRPHAOHOUZSJE-UONOGXRCSA-N 296.455 3.900 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2c(cnn2C(C)C)c1 815644565 GBZISUBWCAOASZ-UHFFFAOYSA-N 293.317 3.767 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(F)cc1NC(C)C 815676933 JCPZGNCMWVSQNH-UHFFFAOYSA-N 286.297 3.796 30 20 CHED CC(C)[C@H]1N(Cc2ccc(O[C@@H](C)C#N)cc2)CC1(C)C 816625061 PVQXZDUTWSGARW-WMLDXEAASA-N 286.419 3.844 30 20 CHED Cn1ncc2c1CC/C(=C/c1cccc(C3CC3)c1)C2=O 817342643 DYXQSOJMBJHMBB-GDNBJRDFSA-N 278.355 3.510 30 20 CHED Fc1ccc(NN=Cc2cccc3cccnc23)cc1 818204450 VGTQEAUWOKNTCL-UHFFFAOYSA-N 265.291 3.820 30 20 CHED N#CCCNc1ccc(CC[C@H](O)c2ccccc2)cc1 819483406 WDMVJEPBEYZGJS-SFHVURJKSA-N 280.371 3.678 30 20 CHED C=CCC1(C(=O)NCc2cc(C)cc(Cl)n2)CCCC1 831281553 YLAYWXYRJRFJSZ-UHFFFAOYSA-N 292.810 3.796 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2cccc(O)c21 834787009 GBPFJEZJTSOPJY-SJORKVTESA-N 290.366 3.528 30 20 CHED C=CCC[C@@H](NCc1cc(F)cnc1Cl)C1CC1 834841120 PNISJNKBUBYZLV-CYBMUJFWSA-N 268.763 3.709 30 20 CHED CCC(CC)[C@H](NC(=O)C#CC1CC1)c1cccs1 837362069 XAMBBSMWPQTAIH-INIZCTEOSA-N 275.417 3.755 30 20 CHED N#CC1(COC(=O)c2c[nH]cc2-c2ccccc2)CCC1 837432653 WQHXSYZLATUVBB-UHFFFAOYSA-N 280.327 3.532 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccccc2F)CCCC1 838279796 KFCHNEHDHPPVDB-UHFFFAOYSA-N 290.334 3.688 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)/C(=C/C)CC 839891389 OBBVEVFDTYWYKG-HSUWOCHWSA-N 257.377 3.646 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cc(Cl)ccc1O 840787689 NWFPSWKBOVCXPH-JTQLQIEISA-N 266.772 3.636 30 20 CHED CC(C)(C)OC(=O)Oc1cc(Br)ccc1C#N 841532279 ZGIDFBXMCHLQDY-UHFFFAOYSA-N 298.136 3.635 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1csc(C2CCCCC2)n1 842300875 ZSDOOEICJMIIIF-ZDUSSCGKSA-N 292.404 3.896 30 20 CHED COCCc1ccc(-c2ccc([C@H](C#N)OC)cc2)cc1 844229730 RUFNQVXETMSTRI-SFHVURJKSA-N 281.355 3.754 30 20 CHED C=C(C)CONC(=O)N(Cc1ccc(Cl)cc1)C1CC1 845594373 YZQLRHZEQUVWKY-UHFFFAOYSA-N 294.782 3.522 30 20 CHED C=C(C)CONC(=O)[C@@H](C)c1c(Cl)cccc1Cl 846539293 DVVUFKKUUVITHB-VIFPVBQESA-N 288.174 3.721 30 20 CHED C=C(Cl)CN1CCC(Cc2nc(CC)cs2)CC1 847036764 ZIHWEGHABVWEGZ-UHFFFAOYSA-N 284.856 3.713 30 20 CHED CC(C)CCC[C@@H](C)NC(=N)NCC1CCC(C#N)CC1 849026473 DIGABYLIRJDQQB-QQFBHYJXSA-N 292.471 3.645 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)O[C@H](C)CC(C)(C)C#N 851208793 DSKDVUNQYHKAJJ-UKRRQHHQSA-N 295.423 3.986 30 20 CHED Cc1cccc(C(=O)O[C@@H](C)CC(C)(C)C#N)c1F 851209460 LEIZAIKBIYRBIN-NSHDSACASA-N 263.312 3.619 30 20 CHED C=CC(C)(C)CCOC(=O)c1nc(C)c(C)s1 851300624 XLKQXVLVIFDNSP-UHFFFAOYSA-N 253.367 3.519 30 20 CHED C=C[C@H](OC(=O)c1cnn(C(C)C)c1C)c1ccccc1 851452363 RMOXMDYJTIIWAE-INIZCTEOSA-N 284.359 3.857 30 20 CHED C=C(C)CN=[S@](=O)(c1ccc(F)cc1)C(F)(F)F 853725324 PFGFFBPDFZJLPZ-SFHVURJKSA-N 281.274 3.749 30 20 CHED Cc1cnc(F)cc1-c1ccc(C2(C#N)CCOCC2)cc1 854190075 VKOINLKHUZLVHM-UHFFFAOYSA-N 296.345 3.768 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)o1 856305193 LSTCLBXYYHKTCJ-CQSZACIVSA-N 286.375 3.584 30 20 CHED CCCCCCCNC(=O)N1CCC(OC2CCC2)CC1 858114994 ZJTJSMQGHPIGQK-UHFFFAOYSA-N 296.455 3.700 30 20 CHED CCC(C#N)(CC)C(=O)OCc1cc(-c2ccccc2)on1 860196043 KOGUJOPVKRMZOC-UHFFFAOYSA-N 298.342 3.715 30 20 CHED Cc1ccc2occ(CC(=O)O[C@H]3CCC[C@H](C#N)C3)c2c1 860825516 KBTVCIXETDVLFF-ZFWWWQNUSA-N 297.354 3.909 30 20 CHED FC(F)(F)C(F)(F)CNN=Cc1ccccc1C1CC1 863181893 ZCBBAKNXKCDDFM-UHFFFAOYSA-N 292.251 3.685 30 20 CHED CC(C)(C)SCCCSc1cc(C#N)ccn1 865353045 KTITYINODULGPI-UHFFFAOYSA-N 266.435 3.967 30 20 CHED C=CCC[C@@H](NCc1ccc(Br)cn1)C1CC1 866568866 GIAPVQVANAPYTN-CQSZACIVSA-N 295.224 3.679 30 20 CHED C#CCCCCCc1nc(C(C)(C)c2ccncc2)no1 871855112 CAXPNLVAPCPIDD-UHFFFAOYSA-N 283.375 3.527 30 20 CHED COc1ccc(NC[C@H](C)CCC#N)cc1Br 876826272 MZUVYFPLIWYMMA-SNVBAGLBSA-N 297.196 3.809 30 20 CHED C=C[C@@H](CC(=O)N1C[C@H]2CCC[C@H]1C2)c1ccccc1 890315439 MTVMICYLFDDECZ-ZOBUZTSGSA-N 269.388 3.747 30 20 CHED N#C[C@@H]1CCCN(Cc2cscc2C(F)(F)F)C1 896506700 VMDYBNQHSGDKBW-VIFPVBQESA-N 274.311 3.502 30 20 CHED C=C1CC(c2noc(CCc3c[nH]c4ccccc34)n2)C1 896889572 BUASMEPXOPEFIE-UHFFFAOYSA-N 279.343 3.770 30 20 CHED CCc1onc(C)c1/C=C\C(=O)c1ccc(OC)cc1F 899337624 HYAUFBBOTURENX-FPLPWBNLSA-N 289.306 3.589 30 20 CHED Cc1cc(C(=O)/C=C\c2cnn(CC3CCC3)c2)oc1C 899370709 KBAIJEMATQBSNW-SREVYHEPSA-N 284.359 3.789 30 20 CHED CCCCCCCS(=O)(=O)Cc1cc(C)cc(C)n1 899984438 JDUOWSGCKTUVFA-UHFFFAOYSA-N 283.437 3.584 30 20 CHED CCN(C(=O)/C=C(\C)Cl)[C@@H](C)c1ccc(C#N)cc1 900341871 IDYWBMBOYBIYOL-ZKQHCESOSA-N 276.767 3.610 30 20 CHED CC(C)c1nn(C)cc1-c1cc(Cl)cc(C#N)c1 904828619 AGCTXYIMHSZZFK-UHFFFAOYSA-N 259.740 3.736 30 20 CHED C=CCC(CC=C)C(=O)N(CC)c1cccc(C(=O)O)c1 910969647 GWWSIGXABXKCTK-UHFFFAOYSA-N 287.359 3.506 30 20 CHED Clc1ccccc1-c1ccc(C=NNc2ncccn2)o1 912973994 FMIMDUACYLYGNS-UHFFFAOYSA-N 298.733 3.836 30 20 CHED COc1ccc(CCC(=O)OCCCCC#N)cc1Cl 914621069 YETLZSKUPDWAHZ-UHFFFAOYSA-N 295.766 3.518 30 20 CHED C=C(C)COC(=O)c1cc2cc(Br)ccc2o1 915244634 JSWHQDNOGAENQN-UHFFFAOYSA-N 295.132 3.928 30 20 CHED CCCCCCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 915795597 QVFLVWSAZCZEIQ-UHFFFAOYSA-N 292.335 3.863 30 20 CHED N#CCOc1cccc(C=NNc2ccc(Cl)cc2)c1 915933551 ZHOWKOVAYOYLSU-UHFFFAOYSA-N 285.734 3.688 30 20 CHED CC(C)c1ccc(C=NNCc2ccccc2)cc1 916343760 FQYHOPNMCRYAAJ-UHFFFAOYSA-N 252.361 3.934 30 20 CHED C#CCN(Cc1cccc(F)c1)[C@H]1CCc2ccccc21 917117967 XFEHJFWDQXHFSH-IBGZPJMESA-N 279.358 3.948 30 20 CHED CCCCCCCC(C)=NNS(=O)(=O)c1ccccc1 917562598 CJZDMNZFYKTOTI-UHFFFAOYSA-N 296.436 3.701 30 20 CHED Cc1ncc(C=NNc2cccc(Cl)c2F)s1 921137815 MXSYNHPWJRNCFT-UHFFFAOYSA-N 269.732 3.690 30 20 CHED Cc1cccc2c1[C@H](NCc1cccc(C#N)c1)CC2 924639821 NFXVIHQZKFRCKE-QGZVFWFLSA-N 262.356 3.644 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)[C@H](c1ccccc1)N(C)C 926197516 ZHYJTTKNDPSYQP-HLLBOEOZSA-N 287.451 3.596 30 20 CHED COc1cc(C)c(N[C@H](C)CC(C)(C)C#N)cc1F 926205070 FTGNIHNANCNRSF-LLVKDONJSA-N 264.344 3.883 30 20 CHED N#C[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 928218100 XOCICXZXQKMQIO-KBAYOESNSA-N 296.414 3.723 30 20 CHED CCCN(CC(F)(F)F)C(=O)Nc1ccc(CC#N)cc1 929427221 IOSWQJULGXMOAR-UHFFFAOYSA-N 299.296 3.559 30 20 CHED N#CC1(CCCCN[C@H]2CCCC23CCOCC3)CCC1 930334725 SEPRFNIWIPKPJU-INIZCTEOSA-N 290.451 3.789 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)NCCC#N)c21 932640600 BYCNRDTXJFTMPM-NSHDSACASA-N 271.364 3.507 30 20 CHED C[C@H](C#N)CNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 1116036598 DWWPYFPTEFMEQB-SECBINFHSA-N 299.201 3.547 30 20 CHED C=CCCCCCCCNC(=O)c1cnoc1C1CC1 1117715305 GMVFTBRIOIDMAO-UHFFFAOYSA-N 276.380 3.808 30 20 CHED Cc1nc(C#N)cc(N2CCC[C@@H]2c2cccc(Cl)c2)n1 1119285303 VHIOFIZOUDWHBV-OAHLLOKOSA-N 298.777 3.652 30 20 CHED C=CCN(C(=O)c1c([N+](=O)[O-])ccc(C)c1C)C(C)(C)C 1119482508 IDXLFXXIGFATNZ-UHFFFAOYSA-N 290.363 3.638 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1cc(C#N)ccc1F 1206062443 WRPWVZZCCHEYDW-GHMZBOCLSA-N 289.354 3.644 30 20 CHED CC[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H]1C 1215839278 YNINUJJAKVOGSJ-JQWIXIFHSA-N 291.782 3.864 30 20 CHED C=CCC[C@H](C)Nc1cccc(N=S(C)(C)=O)c1 1262113083 AZBFLGFYPRGWHO-LBPRGKRZSA-N 266.410 3.812 30 20 CHED N#Cc1sccc1C(=O)Nc1cccc(Cl)c1F 1264176205 QDLYVOOZPDOPEX-UHFFFAOYSA-N 280.711 3.665 30 20 CHED Cc1[nH]nc(NCC2CCC(C(C)(C)C)CC2)c1C#N 1308428465 ALTFXWVYMIKAIA-UHFFFAOYSA-N 274.412 3.854 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)N(C)C[C@@H](C)C#N 1320163411 AGHHBVJHHDVYTP-VIFPVBQESA-N 279.771 3.580 30 20 CHED Cc1cccnc1CSCc1cc(F)ccc1C#N 1320671118 WKXDFJLWLWQMEH-UHFFFAOYSA-N 272.348 3.834 30 20 CHED CCOCc1ccc(N=Cc2ccccc2O)cc1 1322146373 ZWHODDDBKGCDJJ-UHFFFAOYSA-N 255.317 3.679 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccc(-c2cccs2)s1 1323999049 DJQZLOCUPZEZNA-JTQLQIEISA-N 290.413 3.755 30 20 CHED CC(C)(C)c1ccc(NN=C2CCc3c(F)cccc32)nn1 1339230418 JCZFUDBRMYHLRJ-UHFFFAOYSA-N 298.365 3.676 30 20 CHED N#Cc1ccnc(/C=C/c2cc(F)c(F)c(F)c2)c1 1339794501 TZWGYTQTFCAXCZ-OWOJBTEDSA-N 260.218 3.541 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H]1c1ccccc1 1354464373 NBHLRRAQLOQCAM-GOSISDBHSA-N 290.366 3.844 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C)c(C(F)(F)F)c1 1355087423 CACFAUVAXJTWQX-GFCCVEGCSA-N 298.308 3.778 30 20 CHED Cc1c(C(=O)O[C@H](C)CC#N)cccc1-c1ccccn1 1356043571 VOCPDYZDNTVSLO-GFCCVEGCSA-N 280.327 3.516 30 20 CHED CCc1ccccc1NC(=O)c1cc(F)c(C#N)c(F)c1 1440896141 ILYKSFRAWJUHGS-UHFFFAOYSA-N 286.281 3.651 30 20 CHED CO[C@]1(C)C[C@H](N(C)Cc2ccc(C#N)c(C)c2)C1(C)C 1461885189 URFABFMPAVLIBH-FUHWJXTLSA-N 286.419 3.502 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)cc(C#N)c2)cc1 1467160573 QULADYWFVNYNAE-GFCCVEGCSA-N 297.333 3.889 30 20 CHED CCc1ccccc1CCOc1cccc(F)c1C#N 1473007643 HBRMWTVFKVZLMT-UHFFFAOYSA-N 269.319 3.881 30 20 CHED N#C[C@@H]1CCCN(CCSc2ccc(Cl)cc2)C1 1473780926 DTTFNJANRUFPSB-LBPRGKRZSA-N 280.824 3.668 30 20 CHED C=C(C)CCC(=O)O[C@H](c1ccccn1)C(F)(F)F 1524793001 JAHXRSRIKWNUHR-GFCCVEGCSA-N 273.254 3.585 30 20 CHED CC(C)c1ncsc1C(=O)Nc1ccc(F)cc1C#N 1524845574 UXNHMZLERPKMGY-UHFFFAOYSA-N 289.335 3.530 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)ccc1Cl 1525048256 CPQUKFWFOYUQQI-WCQYABFASA-N 277.751 3.888 30 20 CHED CC(C)N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1F 1525490132 KXZPQICAGHMCBT-UHFFFAOYSA-N 296.345 3.748 30 20 CHED C=C(CC)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1 1528457854 DRKCAKVUCCPUPQ-OAHLLOKOSA-N 255.361 3.706 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc3c(s2)CCCC3)C1 1528488758 BYDGJBFLNNCFTN-AAEUAGOBSA-N 289.400 3.866 30 20 CHED Cc1cc(F)ccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1529379730 FMRNERLJRUOUOX-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2CCC[C@@H]21 1539776202 XAUINDPSYSHXSG-WXHSDQCUSA-N 294.830 3.533 30 20 CHED N#Cc1cccc(Sc2nnc(C(F)(F)F)s2)c1 1559130863 YRBIQQMODJMWNG-UHFFFAOYSA-N 287.291 3.580 30 20 CHED CCCC(=NNc1cccc(C(=O)O)c1C)c1cccnc1 1595522528 SNNJJYZYVLTITN-UHFFFAOYSA-N 297.358 3.705 30 20 CHED CCc1cccc(N(C)C(=O)[C@H](CC#N)c2ccccc2)c1 1596549194 LWKZPZKWABHRPQ-GOSISDBHSA-N 292.382 3.909 30 20 CHED N#Cc1ccc(COc2ccc(C(=O)O)cc2Cl)s1 1601102124 BMJUVYZDVMYBCA-UHFFFAOYSA-N 293.731 3.550 30 20 CHED N#Cc1ccc(Sc2ccc(Cl)c(F)c2)nc1 1640127261 UQWKYNIMRSRMEP-UHFFFAOYSA-N 264.712 3.897 30 20 CHED Cc1ccnc(N(C)CCC2CCCCC2)c1C#N 1651462974 YLPGLJFXJZAGLF-UHFFFAOYSA-N 257.381 3.668 30 20 CHED C[C@H](Nc1cc(C#N)cnn1)c1cc2ccccc2s1 1651752960 NDCQWLNSGALTIM-JTQLQIEISA-N 280.356 3.736 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1cc(C#N)ccc1OC 1652158373 DIYWGGKFFIPAGK-CVEARBPZSA-N 288.391 3.572 30 20 CHED COc1cc(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1C#N 1659161108 YSGKRUXKSJCQLT-WBAXXEDZSA-N 298.430 3.967 30 20 CHED CCC1(CC)CCCN(C(=O)NCC2(C#N)CCC2)CC1 1673750921 YEDSICWPOALNTA-UHFFFAOYSA-N 291.439 3.682 30 20 CHED Cc1ccc(C=NNc2ccccc2Cl)cc1C(=O)O 1776014917 OAQCDAVPLAOSIF-UHFFFAOYSA-N 288.734 3.793 30 20 CHED CC(=NNc1cccc(C(=O)O)c1)c1c(C)cc(O)cc1C 1776037786 BUMMKBLGJCZBTF-UHFFFAOYSA-N 298.342 3.543 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/Cc1cccnc1 5227363 LTINITLVJSPLAZ-CAOOACKPSA-N 281.142 3.713 30 20 CHED C[C@@H](/N=C/c1cccc(O)c1O)c1ccccc1Cl 22768921 OTRKSFWZYBZDFE-IYPWXLATSA-N 275.735 3.931 30 20 CHED CCN(Cc1cccs1)C(=O)/C=C/c1ccccc1C#N 25760750 XQNPYRBOTBHUFQ-MDZDMXLPSA-N 296.395 3.682 30 20 CHED C[C@H](Cc1ccccc1Cl)NCc1ccc(C#N)cc1 36936293 PUTAVPCCKDBHIP-CYBMUJFWSA-N 284.790 3.932 30 20 CHED CCN(Cc1ccc(C(C)(C)C)cc1)C[C@H](C)C#N 42287657 YEKYKXJKEKQJRQ-CQSZACIVSA-N 258.409 3.966 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1cc(C#N)ccc1F 42316462 QEOZUXWQWCNARR-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C[C@H]1CCCC[C@H]1CNCc1cc(C#N)ccc1F 42862860 CPRCWWDNSHDKFL-JSGCOSHPSA-N 260.356 3.613 30 20 CHED CC1CCC(N(C)C(=O)Nc2cccc(C#N)c2)CC1 43329465 PEZIQJIJBLPCBT-UHFFFAOYSA-N 271.364 3.601 30 20 CHED N#CCCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 44316237 WTLKHIRVAKEWMM-UHFFFAOYSA-N 268.282 3.583 30 20 CHED CN(Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)cc1 45026897 ONZAJUJOVWKBIY-UHFFFAOYSA-N 299.761 3.876 30 20 CHED C[C@@H](OC(=O)c1cccc(C#N)c1)c1ccc(F)c(F)c1 50056208 PMFSWWOTSXPCEJ-SNVBAGLBSA-N 287.265 3.754 30 20 CHED C[C@H](N[C@H]1CCc2ccccc2C1)c1cccc(C#N)c1 51630977 BTDBHLDTINNJQI-LIRRHRJNSA-N 276.383 3.766 30 20 CHED N#Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1F 51637530 IDFCUHFWEBQIKW-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1ccsc1 61363495 UCTPNXFPSPPDTJ-SNVBAGLBSA-N 260.337 3.610 30 20 CHED CC(C)(C)c1ccc(OCCNc2ccc(C#N)cn2)cc1 71817809 FLPMHXVPVOOCHC-UHFFFAOYSA-N 295.386 3.742 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2ccc(F)cc2)c1 73012659 DVKDFNFLCISCBE-KRWDZBQOSA-N 298.361 3.796 30 20 CHED Cc1ccc(CN(C)c2snc(Cl)c2C#N)s1 76290764 VWXPXUZKKYZEIB-UHFFFAOYSA-N 283.809 3.675 30 20 CHED CCN(CCC#N)C(=O)CSc1ccc2ccccc2c1 77203866 LXKLVIBKQWCMPM-UHFFFAOYSA-N 298.411 3.694 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)CCCC1CCCC1 79486468 LXSNVUINCRPNCV-UHFFFAOYSA-N 284.403 3.877 30 20 CHED C[C@@H](NC(=O)c1cccc2[nH]ccc12)c1ccc(C#N)cc1 79720688 NKZULCHGBMVSTL-GFCCVEGCSA-N 289.338 3.531 30 20 CHED N#CCCN(Cc1coc(-c2cccs2)n1)CC1CC1 81044434 QOWRZMUGVHYQOJ-UHFFFAOYSA-N 287.388 3.529 30 20 CHED CCSCc1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1 86299337 LUIYYTNIUSQXCT-LBPRGKRZSA-N 291.420 3.706 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccccn1 90665162 SIVYTLHAERNJOD-RHSMWYFYSA-N 265.360 3.777 30 20 CHED Cc1cc(NC(=O)c2ccc(C#N)cc2)c2ncccc2c1 91792745 DCLQNVFZNVPRHR-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1occc1C 92504492 XJEASFLXFGLBKN-UHFFFAOYSA-N 266.344 3.648 30 20 CHED N#Cc1c(Cl)nsc1Oc1cccnc1Cl 92655716 QPUPEDJMFPHFHF-UHFFFAOYSA-N 272.116 3.509 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)[C@@H](C)CC 98121001 XJUICQOGEBWCFL-STQMWFEESA-N 280.437 3.880 30 20 CHED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)C2CCCCCC2)c1 102119353 BZNYYKOYMISDFO-INIZCTEOSA-N 298.386 3.613 30 20 CHED CCCCCCC[C@@H](C)NC[C@@H]1CCN(C2CC2)C1 103028035 NQTULGVNJSFIGW-CVEARBPZSA-N 266.473 3.809 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 107581536 KVXPOOAAAJBBAI-ZIFCJYIRSA-N 292.382 3.752 30 20 CHED Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(C)s1 116802356 TXPDATIUCMHBRH-BONVTDFDSA-N 276.405 3.567 30 20 CHED C=CC[C@H](C)NC(=O)CSCc1cccc(Cl)c1 116862223 CNSWWNZBQOXSKQ-NSHDSACASA-N 283.824 3.654 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1C 116972622 GEONEDLJHCFIDX-GDBMZVCRSA-N 272.392 3.806 30 20 CHED C=CCC(CC=C)C(=O)NCCc1cccc(Cl)c1 121327941 NBAMIBIIFLKDHO-UHFFFAOYSA-N 277.795 3.767 30 20 CHED Cc1cc2nnc(SCCCCC#N)n2c2ccccc12 121777968 IOPVBLRSWBUPHG-UHFFFAOYSA-N 296.399 3.977 30 20 CHED C=CCCOCCNC(=O)Nc1ccc(C(C)C)cc1 122676355 LSBFLRFILQVHDT-UHFFFAOYSA-N 276.380 3.524 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(C#N)c1 122873058 CKPWNYUOZFABHO-CQSZACIVSA-N 275.355 3.623 30 20 CHED N#Cc1csc(CN2CCC(c3ccccc3)CC2)c1 125414786 JOKMCSJIDVQZGY-UHFFFAOYSA-N 282.412 3.999 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1cc(F)cc(F)c1 126512748 DNMLMLOHYKDULQ-SNAWJCMRSA-N 284.265 3.509 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F 128541498 RMVZFZWZNPGJKF-UWVGGRQHSA-N 286.297 3.640 30 20 CHED C=CCC(CC=C)C(=O)NC1CC(c2ccccc2)C1 130479337 TYBADCNEXQRGTK-UHFFFAOYSA-N 269.388 3.817 30 20 CHED CC(C)Oc1ccc(NC(=O)c2cccs2)cc1C#N 131097221 PCGLTIMLBBCIBM-UHFFFAOYSA-N 286.356 3.659 30 20 CHED CC(C)(CCC#N)CNc1cccc(NC(=O)C2CC2)c1 135157924 NVNCSAAIRBRAHE-UHFFFAOYSA-N 285.391 3.777 30 20 CHED C=CCC(CC=C)C(=O)N1CCO[C@@H](c2ccccc2C)C1 150865744 WVFHIBUGGKZRJZ-GOSISDBHSA-N 299.414 3.663 30 20 CHED Cc1noc(C)c1CNc1ccc(OC(C)C)c(C#N)c1 151953341 YIABYLDDMRYOFQ-UHFFFAOYSA-N 285.347 3.562 30 20 CHED CCn1nccc1/C=C1/CCOc2c(C)cc(C)cc2C1=O 152672155 RJUZYPBRZWXULT-KAMYIIQDSA-N 296.370 3.569 30 20 CHED N#CCC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 153651210 PJMYBZRNUJXYKE-UHFFFAOYSA-N 278.739 3.514 30 20 CHED Cc1cc(C)c(C(=O)N[C@@H](CCC#N)c2ccccc2)o1 153744280 UNUCAPWKHLVQPN-HNNXBMFYSA-N 282.343 3.671 30 20 CHED COc1cc(C#N)ccc1CSc1cccs1 155070594 TVQMJNOWCZMQJA-UHFFFAOYSA-N 261.371 3.921 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)nc1 156401006 NKZUKQZLNADGAM-UHFFFAOYSA-N 279.387 3.672 30 20 CHED C=CCCSc1nnc([C@@H](CC)N(C)C)n1CCCC 156940649 NPUTVPFQIZJHJS-CYBMUJFWSA-N 296.484 3.759 30 20 CHED CCCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 157838722 TYMYDGZSXHQFGI-KFWWJZLASA-N 267.413 3.563 30 20 CHED C=CCN(CC=C)C(=O)CCCc1sccc1C 158771177 BGMVDDVVMPCRFQ-UHFFFAOYSA-N 263.406 3.580 30 20 CHED Cc1ccc(C#N)cc1NCc1noc(C2CCCCC2)n1 161367739 HOKSDGZFKHKUSA-UHFFFAOYSA-N 296.374 3.910 30 20 CHED CCO[C@H](CCNc1nc(C)ccc1C#N)C1CCCC1 161687625 ZZFWIBNMUZPWGV-MRXNPFEDSA-N 287.407 3.659 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 162702575 ICHXGEFNEOSZGF-INIZCTEOSA-N 290.382 3.884 30 20 CHED CSc1ccccc1C(=O)N(CCC#N)CC(C)(C)C 172338961 ZDWFLZSSBJOSDY-UHFFFAOYSA-N 290.432 3.810 30 20 CHED C#CCCCN[C@H](C)c1ccc2cc(OC)ccc2c1 174273790 DSEBQCCFSVJKEM-CQSZACIVSA-N 267.372 3.912 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H]2Cc2ccccc2)o1 174415789 NIKMJEUHXHAULX-YJBOKZPZSA-N 280.371 3.652 30 20 CHED Oc1ccc(Cl)cc1/C=N/CCOCc1ccccc1 176322277 IJVUPBJFZMNJMM-WOJGMQOQSA-N 289.762 3.681 30 20 CHED C=CCN1CCC(N[C@H](C)c2cc(C)cc(C)c2)CC1 177904614 QVDADZMPRCHGHJ-MRXNPFEDSA-N 272.436 3.604 30 20 CHED CCC(CC)(C/N=C(\N)Nc1ccccn1)c1ccccc1 178587487 MWPBTQRUQWMPBE-UHFFFAOYSA-N 296.418 3.566 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2cc3ccccc3s2)C1 178788960 CGDNUUGNSQQZCA-CMPLNLGQSA-N 271.341 3.750 30 20 CHED C=C(C)CN(C)C(=O)C(C)(C)Cc1cccc(Cl)c1 180436901 UBQFIKZFYPCGQT-UHFFFAOYSA-N 279.811 3.943 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H](C)[C@@H](C)CC 181006204 JQWGTPHKDALCEM-QWHCGFSZSA-N 252.402 3.647 30 20 CHED CCc1ccc([C@@H](COC)N[C@H](C)c2ccc(C#N)cc2)o1 181812389 NTLZHLGXOUMCAR-CXAGYDPISA-N 298.386 3.752 30 20 CHED C=CC[C@H](C)N[C@H](c1ccccc1)c1ccc(F)cn1 183771633 MBFLUIIFYBFIPJ-SUMWQHHRSA-N 270.351 3.864 30 20 CHED CC[C@@H](CC#N)NC(=O)c1sc2ccccc2c1Cl 183949013 FTQZWXIGXXQULQ-VIFPVBQESA-N 292.791 3.977 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(N2CCCC2)c(C)c1 185078715 ZPZQWFRHONOQHG-UHFFFAOYSA-N 284.403 3.583 30 20 CHED Cc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1[N+](=O)[O-] 185850103 AZTUWXRPDJUIJQ-KCQAQPDRSA-N 287.363 3.636 30 20 CHED N#Cc1ccc(CNC[C@H](c2ccccc2)C(F)(F)F)o1 186437653 WQLMXOBSQQSNKP-CQSZACIVSA-N 294.276 3.587 30 20 CHED C=CC[C@H](C(=O)Nc1ccncc1F)c1ccccc1 188907517 UAVAEQSNOUQTPV-ZDUSSCGKSA-N 270.307 3.519 30 20 CHED C=CCNC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 189394981 NOOCURUWAJEJAE-MRVPVSSYSA-N 273.163 3.540 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1Cl 189775251 VTOHTEUMMYRVKY-AWEZNQCLSA-N 251.757 3.559 30 20 CHED CC1=CCC[C@@H](C)[C@@H]1CN(CCC#N)Cc1ccccn1 191065565 IZCNJOMGAMRMRI-SJLPKXTDSA-N 283.419 3.790 30 20 CHED C#CCCCC(=O)N[C@H](CCCC)c1ccc(OC)cc1 192274065 XBECXYPHJNUXHW-QGZVFWFLSA-N 287.403 3.846 30 20 CHED C=CCCCCCS[C@@H](C)C(=O)NC(C)(C)C 192549023 LGHCPGRFAXOJCW-LBPRGKRZSA-N 257.443 3.769 30 20 CHED N#Cc1cccc(CN[C@@H]2CCCNc3ccccc32)c1 192653492 NVFURTJAEHTBII-GOSISDBHSA-N 277.371 3.595 30 20 CHED C=CCCCCCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 193442292 NMZDLACYLKVDEN-SJLPKXTDSA-N 276.468 3.682 30 20 CHED COc1cc(NCc2ccc(C#N)s2)ccc1Cl 193682477 KGFVXXLDYBLPLE-UHFFFAOYSA-N 278.764 3.894 30 20 CHED C=C(C)CN(CC)Cc1cnc(-c2ccco2)s1 194301418 BEEVNGBJBSCWHE-UHFFFAOYSA-N 262.378 3.801 30 20 CHED CC(C)(C#N)OC(=O)c1cccc(Oc2ccccc2)c1 194450802 AYZTTXPJBXUGCS-UHFFFAOYSA-N 281.311 3.938 30 20 CHED O=C(/C=C\c1ccsc1)c1ccc(F)cc1F 206083706 YNAFIIMKUAKNQN-RJRFIUFISA-N 250.269 3.922 30 20 CHED COCCCCCNc1ccc(Br)cc1C#N 228554841 DTHYNCBANKVYJY-UHFFFAOYSA-N 297.196 3.549 30 20 CHED CN(Cc1cc(F)ccc1C#N)C1CCCCCC1 229956853 HWSCZXNQWAFMBW-UHFFFAOYSA-N 260.356 3.852 30 20 CHED CCN(Cc1ccc(C)cc1Cl)C[C@H](C)C#N 233466899 CUFFDUMVIDXCEB-GFCCVEGCSA-N 250.773 3.630 30 20 CHED Cc1ccc(C#N)c(N2C[C@H](c3ccccc3)C[C@H]2C)n1 245724618 IFHOYRFJFZKCLX-RHSMWYFYSA-N 277.371 3.644 30 20 CHED N#Cc1ccc(F)c(CN2CCS[C@H]3CCCC[C@H]32)c1 246189831 VHUFTNAYOUCWDK-CVEARBPZSA-N 290.407 3.557 30 20 CHED C[C@H](CN[C@H]1CCC[C@@H](C#N)C1)Oc1ccc(Cl)cc1 248706440 AVVMPCSMUCUQCK-NFAWXSAZSA-N 292.810 3.779 30 20 CHED O=C(/C=C\c1cccc(Br)c1)c1ccco1 254941661 ALEXOHUGRROEJA-SREVYHEPSA-N 277.117 3.938 30 20 CHED C=CCOc1cccc(NC(=O)C[C@H](OCC)C(=C)C)c1 270038481 JIKMYYPKDQDBFX-INIZCTEOSA-N 289.375 3.561 30 20 CHED Cc1cc(CS[C@@H](C)c2cccc(C#N)c2)on1 276134678 BGUXGPVKCIJASE-NSHDSACASA-N 258.346 3.849 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1cc(Cl)cn1C 277810521 UWXJHYQDXNKPHB-UHFFFAOYSA-N 281.831 3.830 30 20 CHED Cc1ccc(-c2nnc(S[C@H]3CC[C@H](C#N)C3)n2C)cc1 278552487 LPDWJHZOIMGBDL-JSGCOSHPSA-N 298.415 3.575 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)[C@@H](c1ccccc1)C(C)C 280516086 ARLGSYODNGIWNR-QGZVFWFLSA-N 296.370 3.929 30 20 CHED Cc1cc([C@H](C)NC(=O)c2cc(C#N)oc2C)c(C)s1 280649014 VUGWDWIYALXCOX-VIFPVBQESA-N 288.372 3.629 30 20 CHED C=CCN(C(=O)CCCC1CCOCC1)c1ccccc1 281097642 XZSUHLSYUQCYKS-UHFFFAOYSA-N 287.403 3.803 30 20 CHED C=CC[C@@H](CC)NCc1c(C)nn(C(C)(C)C)c1C 281333558 SDKQQLVBLDPNEL-CQSZACIVSA-N 263.429 3.699 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(C)c1Cl 281552507 ZCYHCURTFHVHIR-NSHDSACASA-N 251.757 3.733 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccccc1SC 281757688 JSCGUORBMKTPLR-GFCCVEGCSA-N 275.417 3.635 30 20 CHED CC(C)(C#N)CCOc1ccccc1OC(F)F 281834516 ILTBZJJAPDGZMI-UHFFFAOYSA-N 255.264 3.607 30 20 CHED CCOc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1Cl 284955998 CCVWVUUZQHBZGU-CQSZACIVSA-N 280.755 3.617 30 20 CHED C=CCC[C@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 285394088 WWBJBOSQDSUJHQ-CJNGLKHVSA-N 255.365 3.768 30 20 CHED COc1ccccc1[C@@H](C)Sc1nnc(C)c(C)c1C#N 288539160 VAQVCRIYIFGHGX-GFCCVEGCSA-N 299.399 3.827 30 20 CHED COc1nc(C)cc(C)c1CSCCCCC#N 289364416 ITEYUPVEUBSISD-UHFFFAOYSA-N 264.394 3.634 30 20 CHED Cc1nc(N[C@H]2CCO[C@H](c3ccccc3)C2)ccc1C#N 291943224 MZBRPNIJVAKDMO-IRXDYDNUSA-N 293.370 3.594 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@@H](c2cccc(C)c2)C1 292719785 IOJXMHHGESXQBZ-MRXNPFEDSA-N 271.404 3.913 30 20 CHED CCC(CC)CN(CCC#N)Cc1csc(Cl)n1 294844869 BTULITBXVNSSMJ-UHFFFAOYSA-N 285.844 3.948 30 20 CHED CCN(Cc1nccn1C(C)C)[C@@H](C)c1ccc(C#N)cc1 299572217 HGRCZJYYGHZWBF-HNNXBMFYSA-N 296.418 3.919 30 20 CHED N#Cc1ccc(NCc2cccc(CN3CCCC3)c2)cc1 301074764 GTOIOZVUUWXOEU-UHFFFAOYSA-N 291.398 3.766 30 20 CHED N#Cc1cccc(N[C@@H]2CCOc3c(Cl)cccc32)n1 301261077 GCBAYSUDRUHWSJ-CYBMUJFWSA-N 285.734 3.542 30 20 CHED CCCCCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301363421 RCNANPRCQKAHNT-UHFFFAOYSA-N 284.319 3.617 30 20 CHED CC(C)C[C@H](CCO)CNc1c(C#N)cnc2ccccc12 301425254 KXDAIANSNYZQDK-AWEZNQCLSA-N 297.402 3.563 30 20 CHED CC(C)[C@@H](O)C(C)(C)CNc1cc(Cl)ccc1C#N 301833178 UOQZXHFLOMXEKL-CQSZACIVSA-N 280.799 3.667 30 20 CHED N#Cc1ccc(N[C@H]2CCC[C@@H]2CCO)cc1C(F)(F)F 302470072 UFFDGUGHZXNXOR-YGRLFVJLSA-N 298.308 3.540 30 20 CHED C[C@@H](CNc1c(C#N)cccc1C#N)c1ccc(F)cc1F 302899845 SJABMJJXLWAKLQ-NSHDSACASA-N 297.308 3.924 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCC(F)(F)C1 310409653 XBXAXCKBVFBASV-SECBINFHSA-N 254.255 3.545 30 20 CHED N#CCc1cccc(NC(=O)c2c(F)cccc2Cl)c1 313463992 QCBOHSAKKKZRHC-UHFFFAOYSA-N 288.709 3.797 30 20 CHED CC[C@](C)(CNc1ccc(Br)cc1C#N)OC 322762333 GMEVTKVVEAXPHJ-CYBMUJFWSA-N 297.196 3.548 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cccc3ncccc23)CCC1=O 328930896 ZINZZGJIRVOKIX-RYUDHWBXSA-N 282.343 3.828 30 20 CHED N#CC1(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCC1 329038444 ZMUQAEAEUIPNIP-BFHYXJOUSA-N 260.381 3.996 30 20 CHED C[C@@H]1C[C@H](C(O)=Nc2cnc3ccccc3c2)CC(O)=N1 329362952 ZFMBGCWPEHCFIR-PWSUYJOCSA-N 283.331 3.578 30 20 CHED CCSc1nnc(N=C(O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)s1 329915405 YINADYAPRVOAOD-JBDRJPRFSA-N 295.433 3.530 30 20 CHED OC(=Nc1cccc(-c2ncco2)c1)N1CC[C@H]2CCC[C@H]21 330247166 FLKOLOOWIHALMI-IUODEOHRSA-N 297.358 3.762 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)c2csc(C(C)C)n2)o1 330711136 PRUWRAOFYSIZNT-VIFPVBQESA-N 279.365 3.629 30 20 CHED CC[C@@H]1CCC[C@H]1/N=C(/O)c1cc(NC(C)=O)ccc1C 331018896 NHWSHBULZUOVOL-CZUORRHYSA-N 288.391 3.837 30 20 CHED N#CCc1cccc(NC(=O)N2CC3(CCCCC3)C2)c1 333677421 OTGRVDCDGLVCBS-UHFFFAOYSA-N 283.375 3.551 30 20 CHED C[C@@H](C#N)C(=O)N1CCC[C@H]1c1cccc2ccccc12 334831882 IGKHVWVHAWQOCS-GUYCJALGSA-N 278.355 3.663 30 20 CHED Cc1ccc(-c2nc(NC(=O)[C@@H](C)C#N)sc2C)s1 335909326 XFZMNDWBHGXXGL-ZETCQYMHSA-N 291.401 3.587 30 20 CHED Cc1sccc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 335938463 KERHTWZHUVMBSV-QGZVFWFLSA-N 298.411 3.502 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)c1cc3ccccc3o1)CC2 339820659 ZNZVZIJPPIALMI-UHFFFAOYSA-N 288.306 3.507 30 20 CHED COc1cc([C@@H](C)Nc2c(Cl)cccc2C#N)ccn1 340944046 YSZGMMIFPLMEMY-SNVBAGLBSA-N 287.750 3.788 30 20 CHED N#Cc1cc(NCCCSc2ccccc2)ccn1 341139514 BTLGOEXOTBCSJW-UHFFFAOYSA-N 269.373 3.548 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(CSCC#N)n1 341173139 NLSHWAKWPOBWJQ-MNOVXSKESA-N 265.382 3.510 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(-c2ccc(C#N)c(C)n2)n1 341177629 UTCSBKDIXXOGLL-GXTWGEPZSA-N 296.374 3.996 30 20 CHED C=CCCN(C)C(=O)c1csc2c1CC[C@@H](C)C2 341977801 ADQJCGNRZOKONT-LLVKDONJSA-N 263.406 3.521 30 20 CHED COc1cc(C(C)=O)ccc1Sc1nc(C)ccc1C#N 342776607 JCNHYCBINRDAHK-UHFFFAOYSA-N 298.367 3.624 30 20 CHED Cc1ccc(C#N)c(N2Cc3ccccc3C3(CCC3)C2)n1 343221789 DCJZVKYBNIIVEK-UHFFFAOYSA-N 289.382 3.704 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCOc2ccc(OC)cc21 344136058 QGDUGIXOKOVWQK-HEHGZKQESA-N 275.392 3.709 30 20 CHED CC(C)CO[C@H]1C[C@H](NCC(C)(C)CCC#N)C1(C)C 344467582 YTLWJMYVBNJVFP-GJZGRUSLSA-N 280.456 3.746 30 20 CHED N#CCCCOc1cccc(CN2C[C@H]3CCC[C@@H](C3)C2)c1 348546446 MWUYNFXSJGFOLF-IRXDYDNUSA-N 298.430 3.991 30 20 CHED C=CCCC1(C(=O)NCc2coc3ccccc23)CC1 352381509 AGEWCPKCMPAOSK-UHFFFAOYSA-N 269.344 3.795 30 20 CHED COc1ccc(C#N)cc1NCCCCOC(C)(C)C 352542898 WRRLQGABUFXUCL-UHFFFAOYSA-N 276.380 3.574 30 20 CHED C[C@@H]1CSC[C@@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 354019475 YTCVHFLSGMKWHI-JLZZUVOBSA-N 286.444 3.667 30 20 CHED C=CCOCC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 354901549 NLFHLTISNRGCHT-ZDUSSCGKSA-N 293.432 3.567 30 20 CHED C=CCC[C@@H](NC(=O)C1CC(OCC)C1)c1ccccc1 355047528 RWBXGXAHIIQHGJ-OFLPRAFFSA-N 287.403 3.625 30 20 CHED C=CCCC1(C(=O)NC2CCC3(CCOCC3)CC2)CC1 356366738 WTOMJQHHBAVMLY-UHFFFAOYSA-N 291.435 3.588 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 356646703 QUNKJUHQFQYRDT-GFCCVEGCSA-N 288.347 3.518 30 20 CHED CCc1oc2ccccc2c1CN(C)c1cccnc1C#N 357310221 YVOOWFJUPYJXBH-UHFFFAOYSA-N 291.354 3.898 30 20 CHED CC(C)CSCCCNc1ccc(C#N)c([N+](=O)[O-])c1 357491480 WJCFCIWOLKKZHQ-UHFFFAOYSA-N 293.392 3.658 30 20 CHED CCCCCn1nc(C)cc1NC(=O)c1ccc(C#N)cc1 361195418 ICYUYQPRHYJPPZ-UHFFFAOYSA-N 296.374 3.506 30 20 CHED C=Cc1ccc(CCNC(=O)NCC(C)(C)CCC#N)cc1 361609024 HZWZHOVXSMUTPC-UHFFFAOYSA-N 299.418 3.501 30 20 CHED CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H](C)C(C)C 361636127 HFVYNPGAXUACHG-WBVHZDCISA-N 286.419 3.967 30 20 CHED C=CCCCOc1ccc(Br)cc1OC 379809130 OZNTXQQAOBZJGR-UHFFFAOYSA-N 271.154 3.803 30 20 CHED N#CCCC1CCN(C(=O)C(C2CCC2)C2CCC2)CC1 399372482 VXGXYIWYLSYQNX-UHFFFAOYSA-N 288.435 3.745 30 20 CHED C=CC[C@@H](CC)NC(=O)COc1ccc(C(C)C)cc1 410122635 ZWLSATCOBYILEC-OAHLLOKOSA-N 275.392 3.660 30 20 CHED Cn1c(SCCC2(C#N)CCCCC2)nnc1C1CC1 412985839 UQWVOOSWVBYJTN-UHFFFAOYSA-N 290.436 3.649 30 20 CHED C[C@@H](SCCC#N)c1nc(-c2cccs2)no1 413009620 DFTNSNOBJDUIDD-MRVPVSSYSA-N 265.363 3.506 30 20 CHED N#CCCSCc1ccc(F)cc1Br 413014406 QGYSIAHEEGXURG-UHFFFAOYSA-N 274.158 3.735 30 20 CHED Cc1ccccc1[C@@H](Nc1ncc(C#N)cc1F)C1CC1 413135288 JRYKEXWNLFQPHC-INIZCTEOSA-N 281.334 3.964 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cnc2ccsc2c1 414159447 BJYHRYAQGWCFAV-NSHDSACASA-N 273.405 3.887 30 20 CHED CC(C)(CC#N)CN[C@H](c1ccc(F)cc1)c1cccnc1 414160385 CTIOIUCZDGPDQY-QGZVFWFLSA-N 297.377 3.840 30 20 CHED Cc1nc(C)c(C)c(N[C@@H]2CCCc3cc(C#N)ccc32)n1 419013555 IBGYPAMVRKDNBG-QGZVFWFLSA-N 292.386 3.763 30 20 CHED C=CCOCCSCc1cnc2ccc(C)cc2c1 419517194 MFZBXGQOPAAWFP-UHFFFAOYSA-N 273.401 3.979 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1nc2ccccc2s1 424537647 HFSGWDYXKCJAQU-UHFFFAOYSA-N 288.416 3.857 30 20 CHED CCCC[C@H](C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425105209 DRNZBFRCTXIPGF-KBPBESRZSA-N 272.392 3.904 30 20 CHED CN(c1nccc(C#N)c1Cl)[C@@H]1CCc2ccccc21 429213721 KUUWISFVYJOPQU-CQSZACIVSA-N 283.762 3.730 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CC[C@@H](C)C1 429739169 BSQHELCNEZKATP-RISCZKNCSA-N 271.364 3.519 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccoc1CC 430092743 BBGFPDQBTMBCIR-UHFFFAOYSA-N 275.373 3.732 30 20 CHED N#Cc1nn(Cc2ccc(Cl)s2)c2ccccc12 432497634 QBZVNULOPDVYAC-UHFFFAOYSA-N 273.748 3.671 30 20 CHED N#CCc1ccc(CN[C@H](c2ccccc2)C(F)F)cc1 433042751 GPVIORPNYJHKAN-MRXNPFEDSA-N 286.325 3.849 30 20 CHED COCCN(CCCCC(C)(C)C#N)[C@@H]1CCCSC1 433181927 MHDOTZINTLHNJO-OAHLLOKOSA-N 298.496 3.550 30 20 CHED N#Cc1cccc(C#N)c1NCCc1cccc2cccnc12 436260793 ISGZUAVLFGFPKR-UHFFFAOYSA-N 298.349 3.633 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 437776067 NHKPARXXWTURSF-GMOODISLSA-N 299.201 3.723 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cn(C)nc1-c1ccccc1 439364371 HRPJGHJGSMPUNM-CQSZACIVSA-N 298.390 3.563 30 20 CHED Cc1cc(CN(C)CCCC(C)(C)C#N)ccc1F 444744213 OFCVFMLUCUSHTG-UHFFFAOYSA-N 262.372 3.896 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 448927920 ZFNVQEJVQCDCRJ-DFBGVHRSSA-N 290.794 3.847 30 20 CHED C=C(CC)CNC1CCN([C@@H]2CCCC[C@H]2C)CC1 449734679 NXRZJTDRHCFOGT-NVXWUHKLSA-N 264.457 3.585 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccc(O)cc2)CCCCC1 449813447 PQLQNOQBSKGDQI-UHFFFAOYSA-N 287.403 3.877 30 20 CHED CC(C)CC(CC(C)C)C(=O)NCC1(CC#N)CC1 451383324 JNELXGWORMFKLY-UHFFFAOYSA-N 264.413 3.505 30 20 CHED C=CC[C@H](C(=O)NC[C@H](OC)[C@@H](C)CC)c1ccccc1 452417415 RVBPSJNQMLNNLP-XIRDDKMYSA-N 289.419 3.524 30 20 CHED C=C(C)CCNC(=O)c1ccccc1CCC(F)(F)F 452714903 AIWWZGZWFSVIHR-UHFFFAOYSA-N 285.309 3.878 30 20 CHED CCCn1ncc(NCc2ccc(F)c(C#N)c2)c1C1CC1 453153459 QQSWBEIKZLTAKV-UHFFFAOYSA-N 298.365 3.793 30 20 CHED C=CCCc1noc([C@@H](C)Cn2ccc3ccccc32)n1 453241169 VQDBQNOLQJWCJU-ZDUSSCGKSA-N 281.359 3.947 30 20 CHED C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@H]1CC[C@@H](CC#N)C1 453289142 IBTAIFOHBUPGMH-PZNPJNSTSA-N 272.367 3.731 30 20 CHED CC[C@@H](NC[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 453319053 NCCUVLFGKHRBLF-SJLPKXTDSA-N 298.430 3.948 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 455311904 ONVWJFXYRVUOMF-GOEBONIOSA-N 272.392 3.540 30 20 CHED C=CCC1(CNC(=O)[C@H]2CCOc3ccccc32)CCCC1 456485184 KXFOAUQSHAATJI-INIZCTEOSA-N 299.414 3.805 30 20 CHED C=CCCCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 456704978 RPAGQHUCVFEGOZ-INIZCTEOSA-N 297.402 3.973 30 20 CHED C=CCC1(C(=O)NCC(C)(C)C2(O)CCCC2)CCCC1 456911797 ZNCFJCQXVBYFMG-UHFFFAOYSA-N 293.451 3.570 30 20 CHED C=CCCCC(=O)NCc1ccc(Br)c(C)c1 457866737 INHVKVYXSOEEFO-UHFFFAOYSA-N 296.208 3.730 30 20 CHED CN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC(C)(C)C1 458177110 CQVACZVQWJIMNS-OAHLLOKOSA-N 284.403 3.721 30 20 CHED C=CCC(CC=C)C(=O)N1CC(CC)(c2ccccc2)C1 458218307 PJYFBOXOVAPHRA-UHFFFAOYSA-N 283.415 3.945 30 20 CHED Cc1cc(C)c(NC(=O)NCC(C)(C)CC#N)c(C)c1 459224587 ARQKITNKRIFYCW-UHFFFAOYSA-N 273.380 3.673 30 20 CHED C[C@@H](CCc1ccc(F)cc1F)NCC(C)(C)CC#N 459730386 LWQFKALVBOURBN-LBPRGKRZSA-N 280.362 3.815 30 20 CHED C[C@H](C(=O)N1CCCC(C)(C)CC1)c1cccc(C#N)c1 462145655 HYVITOGFDRJCJR-AWEZNQCLSA-N 284.403 3.700 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1OCc1ccc(F)cc1 465107539 DBQOJMFZAQARDP-ZDUSSCGKSA-N 299.345 3.709 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(C)(C)CC(C)(C)C1 466378649 PRAUJAUIXCTRQT-ZDUSSCGKSA-N 266.429 3.809 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)cc(F)c1OC 472506028 WFLVEZILDWFVKE-UHFFFAOYSA-N 281.302 3.680 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC1(C)C 475339270 WQTFKXUWJVZWKQ-KRWDZBQOSA-N 296.414 3.899 30 20 CHED C=C(C)CSCC(=O)N[C@@H](C)CCCC(C)C 477008209 HOUDXAIIYNLRBX-ZDUSSCGKSA-N 257.443 3.627 30 20 CHED C=CCCCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 479627252 QAPDMBWWHVPWBT-CVEARBPZSA-N 257.377 3.795 30 20 CHED C=CCN(CCC1CCNCC1)Cc1ccc(Cl)s1 479684076 JFEJHSAMAUHDLM-UHFFFAOYSA-N 298.883 3.779 30 20 CHED CN(c1nc(C(F)(F)F)ccc1C#N)[C@H]1CCC(C)(C)C1 480795464 MQTZISMAOYECIN-NSHDSACASA-N 297.324 3.987 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NCC#Cc1ccc(F)cc1 481167696 LRUDLLSOBDKHDA-KEYYUXOJSA-N 259.368 3.592 30 20 CHED C=CCCCc1nc(-c2ccc(N3CCCC3)cc2)no1 482562913 VOLCCMIAVVIHQI-UHFFFAOYSA-N 283.375 3.846 30 20 CHED CCCOc1ccc(C(C)(C)NCCCCC#N)cc1 483275955 BMHJGMXWCUFKBK-UHFFFAOYSA-N 274.408 3.994 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)s1 487567462 BKEDXVVTOAPWFR-AWEZNQCLSA-N 298.411 3.713 30 20 CHED C=CCn1cccc1C(=O)N(C)Cc1ccc(Cl)cc1 488554590 YVDSOJCNIJUQLU-UHFFFAOYSA-N 288.778 3.600 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(OC(C)C)cc1Cl 491524958 PHTPDZCCTMLMGZ-NSHDSACASA-N 294.782 3.613 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)N(C)CC(C)(C)C#N 497274176 BPFMHYQYLLJKKL-OAHLLOKOSA-N 278.440 3.847 30 20 CHED CC#CCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 499000295 JUGMZLHGNXDZLJ-NEPJUHHUSA-N 296.197 3.627 30 20 CHED C[C@@]1(F)CCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 499672144 RKDDYAFUFBUKGX-OAHLLOKOSA-N 289.741 3.698 30 20 CHED C=C(C)[C@H](N[C@H](C)COC(C)C)c1ccc(F)c(F)c1 500405248 SLWKRFGYMLZUHV-WBMJQRKESA-N 283.362 3.985 30 20 CHED CC[C@@H](CC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 505021118 PRVMSTQWSUPJMD-GJZGRUSLSA-N 272.392 3.578 30 20 CHED COc1ccc(CCCN(C)c2ccc(C#N)cc2F)cc1 506877088 OZJKVWNZBCLQCW-UHFFFAOYSA-N 298.361 3.775 30 20 CHED CC(C)[C@@H](C)N(C)Cc1cccc(OCCCC#N)c1 507251443 HNLQBYXCFCIUCJ-OAHLLOKOSA-N 274.408 3.845 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CC)CSc1ccccc1 507484599 QOSIXSQDNCFOPP-ZIAGYGMSSA-N 292.448 3.821 30 20 CHED Cc1c(C#N)cccc1C(=O)NC12CC3CC(CC(C3)C1)C2 509032183 IGHVMZYHHMNSGE-UHFFFAOYSA-N 294.398 3.565 30 20 CHED C=C(C)[C@@H](NCC[C@H](C)F)c1ccc(F)c(F)c1 509135647 HSSFVZTZZGKHTB-IINYFYTJSA-N 257.299 3.920 30 20 CHED C=C(C)CCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 509703931 HDRYNQWJERYWRW-OAHLLOKOSA-N 275.367 3.687 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(C)c(C)cc1Cl 510164733 URWWDVGYAAURRL-UHFFFAOYSA-N 265.784 3.995 30 20 CHED C[C@H]1CCC[C@H](CC(=O)NCC#Cc2cccc(F)c2)C1 513213404 FDQXMLRNRDOSIU-HOCLYGCPSA-N 287.378 3.510 30 20 CHED C=CCCCCNC(=O)C1(Oc2ccc(Cl)cc2)CC1 514804078 KHCBLYNYVYGAOP-UHFFFAOYSA-N 293.794 3.724 30 20 CHED Cc1ccc(C[S@](=O)CCC(C)(C)C#N)c(Cl)c1 518074345 YXYNJPABBYMILK-GOSISDBHSA-N 283.824 3.837 30 20 CHED C=CC1CCN(Cc2ccccc2OC(F)F)CC1 522081076 PZBJDAWUMBFRGV-UHFFFAOYSA-N 267.319 3.686 30 20 CHED CC1CCC(CC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 522320160 HNYFDZQBIRQPGQ-SHARSMKWSA-N 284.403 3.952 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1ccc(C#N)cc1F 525122484 HJCVALJTGHCWBG-OLZOCXBDSA-N 260.356 3.708 30 20 CHED N#Cc1ccc(NC[C@@H]2CCc3ccccc3N2)c(F)c1 525192527 VIBBBTXQDMCKKU-AWEZNQCLSA-N 281.334 3.536 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1cccc(CSC)c1 526084615 FOFASCACANNJAN-INIZCTEOSA-N 293.432 3.717 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(Cc2ccc(C#N)nc2)n1 528205883 LSKJYXBOBIJNPR-HIFRSBDPSA-N 296.374 3.611 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)cc1 528274836 FSWRQFHSEFOMTQ-IAOVAPTHSA-N 282.387 3.534 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)s1 530913790 TVKGXFGQGMUUJE-DGCLKSJQSA-N 276.405 3.708 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@@](C)(CC)C1)c1ccccc1 533990645 PJFCOGZGMVPPBT-MAUKXSAKSA-N 271.404 3.995 30 20 CHED CC1(C)Cc2cc(-c3nc4ccc(C#N)cc4[nH]3)ccc2O1 536154961 KLPAYLVGIRMLEM-UHFFFAOYSA-N 289.338 3.815 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCc2ccccc2C1 537260887 NUVLVHWECLJELK-HNNXBMFYSA-N 286.419 3.889 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 538528734 YDZBQOXHJABDIM-LAVFITLUSA-N 296.414 3.721 30 20 CHED C=CCC[C@H](O)CN[C@@H](c1cccc(F)c1)C1CCCC1 539334495 YPGYEDISVDAELP-ZWKOTPCHSA-N 291.410 3.974 30 20 CHED CCCCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C 539512160 MXVAXNYUJOBRLH-HUUCEWRRSA-N 292.448 3.693 30 20 CHED C=CCCCCCN(C)Cc1cnc(CC)s1 539828997 SBZXVYZYZSWFLE-UHFFFAOYSA-N 252.427 3.884 30 20 CHED C=CCC[C@H](CCC)NCCc1nc(C)oc1C 540083799 JQTVEJFDNPSKNF-AWEZNQCLSA-N 250.386 3.558 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1c1ncccc1C#N 541207192 JKLHBDGWQNWORG-HOCLYGCPSA-N 277.371 3.726 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCCC(C)(C)C#N 543472296 VSGIBUDACMROFL-QLFBSQMISA-N 250.430 3.977 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)NCCCC#N 544091807 VLZKIQUQTNHRNP-HNNXBMFYSA-N 264.413 3.649 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@@H](C)C(C)(C)C2)c1 546056299 VKWXFPZPGOXCNS-GFCCVEGCSA-N 270.376 3.633 30 20 CHED CC[C@@H](C)c1noc(/C=C\c2ccc(C#N)cc2)n1 546996348 IHFQBACBVODRKZ-TYBABMIJSA-N 253.305 3.625 30 20 CHED C=CCC[C@H](Nc1cccc(C(=O)N(C)CC)c1)C1CC1 554090003 KNRQMSPYPDTABL-KRWDZBQOSA-N 286.419 3.935 30 20 CHED Cc1nsc(NCc2ccc([C@@H]3C[C@H]3C)o2)c1C#N 557502595 UZLXSQRMGIBDLJ-LDYMZIIASA-N 273.361 3.652 30 20 CHED CC(C)(C#N)CCN1CC[C@@](F)(c2cc(F)cc(F)c2)C1 560169825 AHHPGFQEFZWHAQ-INIZCTEOSA-N 296.336 3.775 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCC(C)(C)[C@H]1C#N 562421733 VSOVBCZFHFEEMZ-RBSFLKMASA-N 276.424 3.744 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 568569290 LPRVLCPMAPSKDR-VNVHMNPZSA-N 268.404 3.960 30 20 CHED Cc1cccc([C@@H]2CCN(c3ccc(C#N)cc3)C2)c1 569763901 MZYBOTXSBIQVTR-QGZVFWFLSA-N 262.356 3.861 30 20 CHED Cc1ccc(CO)cc1NCC#Cc1ccc(Cl)cc1 572657966 YSXGSRNDXFEBHA-UHFFFAOYSA-N 285.774 3.604 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)c(F)c1 574258261 XMPVVZBKWZWVAO-JTQLQIEISA-N 266.747 3.824 30 20 CHED CC1(CNc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 579295478 YBIIZNNMHXDKMW-UHFFFAOYSA-N 279.343 3.958 30 20 CHED C=CCCCCCNc1ccc(CC(=O)NC(C)C)cc1 579552528 COBGPWLPAVHVFT-UHFFFAOYSA-N 288.435 3.912 30 20 CHED C=C[C@H]1CCCCN1C(=O)C(C1CCC1)C1CCC1 580493906 UHQHQDVMTPHTIV-HNNXBMFYSA-N 261.409 3.770 30 20 CHED C=CCCCCSc1nnc(-c2ccco2)n1C 581172410 LWCUXLQBRBSXFY-UHFFFAOYSA-N 263.366 3.524 30 20 CHED CC[C@](C)(C#N)C(=O)NCC[C@@H](C)CC(C)(C)C 581207802 VNJKGZMCNYMFBS-IUODEOHRSA-N 252.402 3.505 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2c(Cl)cnn2C)c1 588534901 WHIFAZBWXRAPEA-PLNGDYQASA-N 274.751 3.586 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2Cc3ccccc3CO2)n1 588843979 FECFLOSCEKFGHY-UHFFFAOYSA-N 293.370 3.703 30 20 CHED CC(C)C[C@@H](C)CN[C@@H]1CCc2cc(C#N)ccc21 589176661 ZIPSMVIMCMROEY-CXAGYDPISA-N 256.393 3.817 30 20 CHED COc1cc(CCN[C@H]2CCC[C@H](C#N)C2)ccc1Cl 590262735 MVZJTNKMXMTDKO-KBPBESRZSA-N 292.810 3.563 30 20 CHED CC(C)(CC#N)CNC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 590949508 QYBRJKLWLYCZTP-DYVFJYSZSA-N 291.439 3.536 30 20 CHED C=CCOCC(=O)Nc1ccccc1Oc1cccc(C)c1 591104027 MRCXGJUCRIXPBG-UHFFFAOYSA-N 297.354 3.928 30 20 CHED N#CC1(CCSCc2cc3n(n2)CCC3)CCCCC1 593196388 SJKJHFULCQAQHA-UHFFFAOYSA-N 289.448 3.927 30 20 CHED CC[C@H](C#N)C(=O)NCCc1ccc(-c2ccccc2)cc1 593534786 DMVYMTRPXVBBNR-MRXNPFEDSA-N 292.382 3.562 30 20 CHED CCC[C@@H](OC)c1noc([C@@H](C)Cc2ccc(C#N)cc2)n1 594531222 PXFUFEKLSSPCCB-SWLSCSKDSA-N 299.374 3.775 30 20 CHED CCCOc1cc(C)ccc1NCC1(CC#N)CC1 594700524 JHMCXHSHEFQTNF-UHFFFAOYSA-N 258.365 3.890 30 20 CHED CC[C@H](CNCCc1ccc(C#N)cc1)c1ccccc1 594954466 GNBIETFPGMXBHI-GOSISDBHSA-N 278.399 3.884 30 20 CHED N#CCC1(CSCc2cc3ccccc3nc2O)CC1 596338360 ONAHJFOWPNYIMR-UHFFFAOYSA-N 284.384 3.867 30 20 CHED C[C@H]1Cc2ccccc2CN1C(=O)CC1(C#N)CCCCC1 597295881 FIVKZOUXVKHKIF-HNNXBMFYSA-N 296.414 3.824 30 20 CHED CCSc1ccccc1C(=O)N1CCC[C@@H](CC#N)C1 597916674 ZCCAHPMJDKJXLA-ZDUSSCGKSA-N 288.416 3.564 30 20 CHED CCC1(CC)CCCN(C(=O)c2cc(C#N)oc2C)C1 598221445 UZKILFBVHMPNPU-UHFFFAOYSA-N 274.364 3.502 30 20 CHED CCC(C#N)(CC)C(=O)NCC[C@@H]1CCCC[C@@H]1C 599501606 SFOCSNHQIFDNOH-KBPBESRZSA-N 264.413 3.649 30 20 CHED N#C[C@H]1CCCC[C@@H]1NCCc1cccc(C(F)(F)F)c1 600180634 MNTLUMVHTUPBGM-HIFRSBDPSA-N 296.336 3.920 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1nc2ccccc2s1 602433653 AAHVDVOPDZUZIJ-LBPRGKRZSA-N 273.405 3.668 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cccc(C#N)n1 602516413 LBUMPTBIXCWHFF-MRXNPFEDSA-N 295.386 3.658 30 20 CHED COCc1cc(C#N)ccc1NCc1cc(C)cc(OC)c1 603318572 NYCZGBSUHNGPGM-UHFFFAOYSA-N 296.370 3.634 30 20 CHED CSc1ccc(CSc2cc(C#N)ccn2)cc1 603725120 SKNYZNXTOHTGML-UHFFFAOYSA-N 272.398 3.967 30 20 CHED CC1(C)CN(C(=O)c2sccc2C#N)[C@@H]1c1ccccc1 604524400 QUXPPRZXVDZKQE-OAHLLOKOSA-N 296.395 3.843 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1CCC(C)C 604898316 PWSXDCQMSRVCRP-ZNMIVQPWSA-N 266.429 3.855 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C1(c2cccc(C)c2)CCCC1 608852748 DTDXXJMYUGKACI-INIZCTEOSA-N 298.430 3.815 30 20 CHED N#Cc1cnc(NCCOC2CCCCCC2)c(Cl)c1 609823091 CHDRECKSVMZMCT-UHFFFAOYSA-N 293.798 3.758 30 20 CHED Cc1noc([C@H](C)S[C@@H](C)c2ccc(C#N)cc2)n1 609824891 CKZQDSLQMVMRSR-UWVGGRQHSA-N 273.361 3.805 30 20 CHED C[C@@H](COCC(F)(F)F)Nc1cc(Cl)ccc1C#N 609892203 QKIZHRHGGMEALQ-QMMMGPOBSA-N 292.688 3.591 30 20 CHED Cc1cccc2c(N(C)CCCOC(C)C)c(C#N)cnc12 610278900 PQAUZYSINOEXSC-UHFFFAOYSA-N 297.402 3.666 30 20 CHED CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1cccc(C#N)c1)C1CC1 610664038 COXWGUKTEBHNRC-KBPBESRZSA-N 299.418 3.838 30 20 CHED COc1ccc(CN(C2CCCCC2)C2CC2)cc1C#N 610992094 XYYVPOOCHMNMCL-UHFFFAOYSA-N 284.403 3.864 30 20 CHED CC(C)[C@H](C#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 611252464 JCIAULBMBSCBAY-CABZTGNLSA-N 299.201 3.761 30 20 CHED C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)CC1)c1cccc(C#N)c1 615475062 FHVIUTSQURWJRR-JKIFEVAISA-N 299.418 3.887 30 20 CHED C=CCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 617616495 ZLOQXXMLOJMCFK-UHFFFAOYSA-N 284.334 3.557 30 20 CHED C=CC[C@@H](CC)N[C@@H]1CCCc2cc(C#N)ccc21 619611606 RGDOHTZZASCAQM-NVXWUHKLSA-N 254.377 3.880 30 20 CHED Cc1cc2ccc(C(=O)N(CCC#N)CC(C)(C)C)cn2c1 619866784 YNXMLDMDJXNFDZ-UHFFFAOYSA-N 297.402 3.650 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1CCCc2c(O)cccc21 620857153 PLZWOILUVKJYDE-OAHLLOKOSA-N 287.403 3.673 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1c[nH]c2ccccc12 620865042 YBTLGMFSMRHXRT-UHFFFAOYSA-N 270.376 3.571 30 20 CHED C=CCN(Cc1ccc(OC)c(F)c1)C(C)(C)C 661754951 IEBDOYFTAGIEMS-UHFFFAOYSA-N 251.345 3.621 30 20 CHED C=CCN(C(=O)Nc1ccc(C(C)C)cc1)[C@H](C)COC 665145524 RFTZWRNUWIISEG-CQSZACIVSA-N 290.407 3.865 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccsc1 670174065 LTOMNTBQHQMHRK-YPMHNXCESA-N 264.394 3.559 30 20 CHED C=CCN(C)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 683088756 ZUWAKGXRRHNRPO-UHFFFAOYSA-N 272.270 3.664 30 20 CHED CC(Cc1cccs1)=NNCCCOc1ccccc1 729636585 KVFIGVYQCCRWQM-UHFFFAOYSA-N 288.416 3.725 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)c1ccccc1F 730148498 VJDFFIVPIYKELH-UHFFFAOYSA-N 279.318 3.632 30 20 CHED C=C(C)CNc1ccc(C(=O)N2CCCCC2)c(Cl)c1 730258825 KVUMHUDIBQIWMU-UHFFFAOYSA-N 292.810 3.954 30 20 CHED Cc1ncc(/C=C/C(=O)O[C@H](C)c2cccc(C#N)c2)s1 732902492 HKRCYHCHMHEACT-XUIVZRPNSA-N 298.367 3.641 30 20 CHED C(=NNc1cnnc2ccccc12)c1cccc2cccnc12 733748126 IGHWTDXDQJVWSP-UHFFFAOYSA-N 299.337 3.624 30 20 CHED CC(=NNc1cccnn1)c1ccc(SC(C)C)cc1 735973171 AYAPJQGTRYWNML-UHFFFAOYSA-N 286.404 3.813 30 20 CHED C=C(Cl)CNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 736237926 BTKUFIXETKEYQN-ZYHUDNBSSA-N 257.805 3.708 30 20 CHED CCOc1cccc(/C=N/[C@@H]2C[C@]2(C)c2ccccc2)c1O 741464658 QINDJPDCAWADRV-FLWYYKORSA-N 295.382 3.940 30 20 CHED C#Cc1cccc(NC(=S)N2CCC[C@@H]3CCC[C@@H]32)c1 741864719 NRTWSQYFOQPRMB-HOCLYGCPSA-N 284.428 3.629 30 20 CHED CC#CCOC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 745068840 OEOXNSVZVAJIQC-CQSZACIVSA-N 258.361 3.870 30 20 CHED CC(=NN=C(C)c1oc2ccccc2c1C)c1cnccn1 745208864 NANXRJVXFBDIIJ-UHFFFAOYSA-N 292.342 3.764 30 20 CHED CC(=NNc1ncccn1)c1cccc(-c2ccccc2)c1 746490103 PUMPUZBAWPKPJA-UHFFFAOYSA-N 288.354 3.980 30 20 CHED CC(C)(COC(=O)c1cccc(CC#N)c1)c1ccccc1 747029758 IDSMPPVHYRNFCL-UHFFFAOYSA-N 293.366 3.887 30 20 CHED Cn1ccc(C/N=C/c2cc(Cl)cc(Cl)c2O)c1 748286106 QAAXDTUHXAGZGU-FRKPEAEDSA-N 283.158 3.657 30 20 CHED CC[C@@H](C)Oc1cc(C=NNc2ccccn2)ccc1OC 749442909 AQUQARHDLNLGLX-CYBMUJFWSA-N 299.374 3.714 30 20 CHED C=CCN(C(=O)NCC[C@H](C)c1ccccc1)C(C)C 750337132 SMEKWDHVLIMMFO-HNNXBMFYSA-N 274.408 3.786 30 20 CHED COc1ccc(NN=Cc2c[nH]c3ccccc23)cc1 750923978 IKWDMWZKQFMCAC-UHFFFAOYSA-N 265.316 3.623 30 20 CHED C(=NOCc1ccccc1)[C@@H]1CCOc2ccccc21 752160498 JZPCCHDJGHADDI-HNNXBMFYSA-N 267.328 3.755 30 20 CHED CCN(C(=O)/C=C1/CC[C@@H](C)C1)c1ccc(C#N)cc1 753178291 PJIOMMNHFGRWGK-LKKYZFDUSA-N 268.360 3.658 30 20 CHED C[C@@H]1CC/C(=C/C(=O)N[C@](C)(C#N)C2CCCCC2)C1 753617225 JRERNCIVOAMQBI-RTSVQFOCSA-N 274.408 3.712 30 20 CHED CC[C@@H](C)c1ccc(C(=O)Nc2ccncc2C#N)cc1 755293252 KNBQXYQLXGLCEE-GFCCVEGCSA-N 279.343 3.719 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2CCCC(C)(C)C2)c1 755438468 LZKJLHKDVHCPTP-AWEZNQCLSA-N 255.361 3.823 30 20 CHED CC(=NNc1nc2ccccc2s1)C1CCOCC1 755873075 FVAGLZQQZKNYFS-UHFFFAOYSA-N 275.377 3.511 30 20 CHED C#CCOc1ccc(CN[C@@H](CC#C)c2ccccc2)cc1 756998039 QICMFYXECOWUGC-FQEVSTJZSA-N 289.378 3.553 30 20 CHED C=C[C@H](C)NC(=O)/C=C\c1ccc2cc(OC)ccc2c1 757007175 ZAHAMXSSKWZEBK-HKBVPSITSA-N 281.355 3.552 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2cc(O)ccc2O)c1 757468924 ZOUWFRPWVIPGSA-SOFGYWHQSA-N 298.338 3.783 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccccc2O)ccc1OC 757474878 MHBMZWWNMQHFBP-CSKARUKUSA-N 298.338 3.696 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1cc(F)ccc1F 757475315 RNEGQFVJYOQPHF-ORCRQEGFSA-N 279.673 3.909 30 20 CHED Cc1cccc2ncc(/C=C3\CCCC(C)(C)C3=O)n12 757534630 NVPKGEXYOXNYMA-JLHYYAGUSA-N 268.360 3.805 30 20 CHED Cc1cc(NN=C[C@H]2C[C@@H]2C)ccc1Br 758374785 JBBPFSRCOOZQKI-WCBMZHEXSA-N 267.170 3.811 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc(F)cc1N(C)C 759604721 HNCIGUONSXMFGG-DHZHZOJOSA-N 299.345 3.796 30 20 CHED COc1cccc2c1C/C(=C/c1cc(C)c(O)c(C)c1)C2=O 759666873 WDQUPYFASQLSQM-ZROIWOOFSA-N 294.350 3.840 30 20 CHED Fc1cnc(NN=C2CCCC[C@H]2c2ccccc2)nc1 760248407 YVCVIEYNBFHUQZ-AWEZNQCLSA-N 284.338 3.741 30 20 CHED CC[C@H](C)NN=Cc1ccc(F)c(Cl)c1Cl 761831263 OQHRCXRMTIDVEB-ZETCQYMHSA-N 263.143 3.855 30 20 CHED C#CCCc1noc(C2(c3cccc(OC)c3)CCCC2)n1 762008332 BAVCOBBSIMHKRU-UHFFFAOYSA-N 296.370 3.504 30 20 CHED COc1nccnc1NN=C(C)CC(C)(C)c1ccccc1 763409195 SPCCXMRMOQAXGW-UHFFFAOYSA-N 298.390 3.641 30 20 CHED COc1ccsc1C(=O)O[C@@H](C)c1cccc(C#N)c1 764605704 JUYJVYZUEYFDST-JTQLQIEISA-N 287.340 3.546 30 20 CHED C=CCN(C(=O)c1ccc(Cl)cc1C)C(C)C 765416150 KMVJSDRHMIRANC-UHFFFAOYSA-N 251.757 3.685 30 20 CHED C[C@H](Cc1ccccc1Cl)N[C@H]1CCC[C@@H](C#N)C1 765927833 JNNZRBRBIRJGSE-NFAWXSAZSA-N 276.811 3.943 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C[C@H]1CCC[C@@H](C)C1 767151575 BUQOXSVOVQWXPX-OLZOCXBDSA-N 289.341 3.617 30 20 CHED N#Cc1ccc(-c2ccn(Cc3ccc(Cl)cn3)n2)cc1 767546725 HHEJWTQBBCHQNC-UHFFFAOYSA-N 294.745 3.518 30 20 CHED Cc1ccc(C=NNc2ccccn2)cc1Br 767897179 RXBOASLHVWLANP-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C\c2ccc(O)cc2)CCCC1(C)C 769642471 JLTUKPYVTMBZPP-GKUQOKNUSA-N 299.414 3.999 30 20 CHED C#CCCCN1CC=C(c2cc(C)cc(C)c2)CC1 769962340 PQXSLJVWDFCKBW-UHFFFAOYSA-N 253.389 3.806 30 20 CHED C#CCOc1ccc([C@H](C)NCCCCC=C)cc1 769990727 WLSAKTQBEVUNJG-HNNXBMFYSA-N 257.377 3.706 30 20 CHED C=CC[C@@H](N[C@@H]1CCCc2occc21)c1ccncc1 774189860 LGCIYQXRROZIAF-HZPDHXFCSA-N 268.360 3.959 30 20 CHED Fc1ccc(NN=C2CCCNc3ccccc32)cc1 774309570 MLSWFLZQIIAZCA-UHFFFAOYSA-N 269.323 3.848 30 20 CHED CC(=NOC1CCCC1)c1cc(Cl)ccc1O 774603398 RLVJWRJQQYSMAD-UHFFFAOYSA-N 253.729 3.729 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1sc(NC2CC2)nc1C 776251325 APLCXLSHRNNLDB-SNVBAGLBSA-N 293.436 3.500 30 20 CHED N#C[C@@H](OC(=O)C1CCCCCC1)C1CCCCC1 776381556 HVOUEVCIQNSPIX-OAHLLOKOSA-N 263.381 3.972 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccc3ccccc3n2)CCO1 776758800 YRVCSANZJMPLSN-INIZCTEOSA-N 283.375 3.838 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1cccc2[nH]ccc12 777043675 NSBOVVHDHBEVRK-UHFFFAOYSA-N 290.322 3.705 30 20 CHED Cc1cccc([C@@H](C)OC(=O)c2cccc(F)c2C#N)c1 777678732 XOZZRXGUQLARJG-GFCCVEGCSA-N 283.302 3.924 30 20 CHED Cc1ccc(COC(=O)c2cccc(F)c2C#N)c(C)c1 777793386 XQDYIKPCWISFBS-UHFFFAOYSA-N 283.302 3.671 30 20 CHED COC[C@@H](C)NN=Cc1cccc(-c2ccccc2C)c1 777893708 BBEXEFJOANTFPA-OAHLLOKOSA-N 282.387 3.620 30 20 CHED CCc1nc(C)c(C(C)=NNc2cc(Cl)ccn2)s1 777907592 WWNFBEBQMVISPI-UHFFFAOYSA-N 294.811 3.898 30 20 CHED O=C1/C(=C/c2nc3c(s2)CCCC3)Cc2cc(O)ccc21 780188354 NZLZBXIDGQOOHA-PKNBQFBNSA-N 297.379 3.550 30 20 CHED CC1(C)C[C@H](NN=Cc2ccc3ccccc3c2)CCO1 780253054 OEMYSHQACKDCKC-QGZVFWFLSA-N 282.387 3.721 30 20 CHED O=C(O)c1ccccc1NN=C1CC(c2cccc(F)c2)C1 781585084 GCAGKSNXSWCJQA-UHFFFAOYSA-N 298.317 3.869 30 20 CHED Cc1cccnc1C=NNc1ccc(C(F)(F)F)cc1 781596663 KMDTWPXHFMFWCZ-UHFFFAOYSA-N 279.265 3.855 30 20 CHED O=C1C(=Cc2ccc(Cl)cc2F)C(=O)c2ccccc21 782200731 YBLDVJAFGMGQAR-UHFFFAOYSA-N 286.689 3.942 30 20 CHED C#CCCCCC(=O)OCc1cc(Cl)cc2c1OCC2 783474966 ODOLGKPNHCXSQW-UHFFFAOYSA-N 292.762 3.512 30 20 CHED Cc1ccc2ccccc2c1COC(=O)c1ccc(C#N)[nH]1 786088290 WMKOSQUYARHUAM-UHFFFAOYSA-N 290.322 3.705 30 20 CHED Cn1ncc(Cl)c1/C=C/C(=O)c1csc(Cl)c1 787187206 ZFLWFNHNWSWQDT-NSCUHMNNSA-N 287.171 3.685 30 20 CHED C#C[C@@H](CCC)NC(=O)C1(c2ccccc2F)CCCC1 791746751 TVTYWAGPCJCIKI-AWEZNQCLSA-N 287.378 3.556 30 20 CHED CC(C)O[C@H](C=NOC/C=C/Cl)c1ccccc1 793054983 IQRBVPKRURTOGX-NFKGECASSA-N 267.756 3.908 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](CO)c1cccc(F)c1 793541673 SGXRILDOFOFPMX-YOEHRIQHSA-N 279.399 3.974 30 20 CHED C=C(Br)CN(C)Cc1cccc(C)c1C 794651699 YFECQLSXCRKJCY-UHFFFAOYSA-N 268.198 3.644 30 20 CHED Cc1ccsc1/C=C\C(=O)c1ccccc1-n1ccnn1 794739404 OYXKCGUWPBKHSS-SREVYHEPSA-N 295.367 3.533 30 20 CHED O=C(O)c1cc(NN=C[C@H]2CCCSC2)ccc1Cl 794854436 GGVSUBKQLWEXLX-SECBINFHSA-N 298.795 3.579 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CCC[C@H]1CCF 794854913 LGAHOTMAKTXVQS-JTQLQIEISA-N 265.288 3.522 30 20 CHED Fc1ccc(/C=C\C=NNc2ncccc2F)c(F)c1 794990764 PTDDVERCBJUYPO-YQDNRCBRSA-N 277.249 3.610 30 20 CHED N#CC[C@@H](CC(=O)OC1CCCC1)c1ccccc1 795986251 PSVBJYPEWLFVNU-AWEZNQCLSA-N 257.333 3.560 30 20 CHED C=CCC(C)(C)C(=O)O[C@@H](C)c1ccc(OC)cc1 797014571 IBYMUSDQZNQHKN-LBPRGKRZSA-N 262.349 3.902 30 20 CHED CC(C)(C#N)CC(=O)O[C@H]1CCCOc2c(F)cccc21 797095425 SEGVFIDDSZDBEE-ZDUSSCGKSA-N 291.322 3.522 30 20 CHED CC(C)(C#N)COC(=O)c1ccc(Oc2ccccc2)cn1 799623302 AUPXYEOVURNRDX-UHFFFAOYSA-N 296.326 3.580 30 20 CHED COC(=O)c1c(F)cccc1NN=C(C)CC1CCC1 800818366 UXVLSMJHDYSWIZ-UHFFFAOYSA-N 278.327 3.590 30 20 CHED C[C@@H](C#N)OCCN[C@H](c1ccccc1F)C1CCCC1 801938731 IOWHBVFAVOXFRL-GUYCJALGSA-N 290.382 3.575 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1cccc2ccccc12 803781157 CZXXQKAZLNDAHO-KRWDZBQOSA-N 267.328 3.823 30 20 CHED C#C[C@@H](NC(=O)CC1CCCC1)c1ccc(Cl)cc1F 804416863 KJCCELSAOKMHHR-OAHLLOKOSA-N 293.769 3.850 30 20 CHED C#C[C@H](Nc1cncc(Cl)n1)c1ccc(Cl)cc1F 804807230 BUVYDNDKLHGTAH-NSHDSACASA-N 296.132 3.709 30 20 CHED Cc1cc(Cl)c(C(=O)OCCCSCC#N)cc1C 805526770 MRWCCSILXXCROA-UHFFFAOYSA-N 297.807 3.761 30 20 CHED CC[C@H](NC(=O)CCCCCC#N)c1ccccc1OC 806446127 VHVJEAXBUMFCQV-HNNXBMFYSA-N 288.391 3.737 30 20 CHED C#C[C@@H](NC(=O)N(CC)CC(CC)CC)C(C)(C)C 808316958 MRRUHGHRCRIZMS-CQSZACIVSA-N 266.429 3.502 30 20 CHED CC(=O)c1ccc(OC(=O)CCCCCC#N)c(C)c1 808365929 HCQAHFKIWVJLCV-UHFFFAOYSA-N 273.332 3.577 30 20 CHED C#CCN(Cc1ccccc1)C(=O)C(C1CCC1)C1CCC1 809082446 BIVVPGDBIFHSJQ-UHFFFAOYSA-N 295.426 3.865 30 20 CHED C#Cc1ccc(CNCc2cccc3cccnc23)cc1 809633215 ILOALCDKGNUJNK-UHFFFAOYSA-N 272.351 3.506 30 20 CHED C#C[C@H](NC1CCN([C@H]2CCCC[C@H]2C)CC1)C(C)(C)C 809781226 JVGYVQIMFUMLDV-NJAFHUGGSA-N 290.495 3.667 30 20 CHED Cc1ccc(-c2csc(C(=O)NO)c2-n2cccc2)cc1 810044461 ZILNUMHDXPYGPU-UHFFFAOYSA-N 298.367 3.633 30 20 CHED CC(CCc1ccc(O)cc1)=NNc1ccccc1C(=O)O 812444733 MIBOIPKATMYBSY-UHFFFAOYSA-N 298.342 3.511 30 20 CHED C=CCCCCCCCNC(=O)N(C)[C@H](C)C1CC1 812494218 FDFHAVVSXWIMOH-CQSZACIVSA-N 266.429 3.953 30 20 CHED CC(=NNc1ccccc1F)c1ccccc1C#N 814789570 JOHFUHYCQUFIIY-UHFFFAOYSA-N 253.280 3.533 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)n1)c1ccco1 814853231 HUZIDXBTKHBDJT-UHFFFAOYSA-N 283.253 3.920 30 20 CHED C=CCC1(C(=O)OC[C@@]2(C)C[C@@]2(F)Cl)CCC1 821895321 GYBIJMNNGLZCRR-YPMHNXCESA-N 260.736 3.591 30 20 CHED C=CCC1(C(=O)Oc2ccc(NC(C)=O)cc2)CCCC1 824006784 KFYNMLFJVLHAPL-UHFFFAOYSA-N 287.359 3.687 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(SC)ccc1Cl 824474575 PVJFPAAJKXKHDJ-MRVPVSSYSA-N 286.784 3.690 30 20 CHED C[C@H](C[C@H](O)c1ccco1)Nc1cccc(Cl)c1C#N 827752805 OFOOPEQXBUSXOT-YGRLFVJLSA-N 290.750 3.729 30 20 CHED Cc1oc2ccc(NC(=O)C#CC(C)C)cc2c1C 832375045 QMQACSSSVGJWQU-UHFFFAOYSA-N 255.317 3.648 30 20 CHED N#Cc1cccc(SCc2ccc(C(=O)O)cc2)c1 833075432 RSJMKPWSFWXNMS-UHFFFAOYSA-N 269.325 3.549 30 20 CHED C[C@H]1C/C(=C/c2ccoc2C(=O)O)C(=O)c2ccccc21 833587354 KMCITDYVKAUEKJ-JMZICWNOSA-N 282.295 3.751 30 20 CHED Cc1csc(Nc2cccc(NC(=O)C#CC3CC3)c2)n1 837360340 LZBHMISDQASRLV-UHFFFAOYSA-N 297.383 3.547 30 20 CHED C=CC(C)(C)C(=O)OCc1ccccc1OC(F)F 837865035 VCXRTFBOFLJNQF-UHFFFAOYSA-N 270.275 3.543 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2ccc(F)cc2F)C1 839054854 MCGOXYDEHKMNJX-BXUZGUMPSA-N 293.313 3.523 30 20 CHED Cc1cccc(NN=Cc2cn[nH]c2-c2ccc(C)o2)c1 839382859 ACFJCPYUBDUMDQ-UHFFFAOYSA-N 280.331 3.733 30 20 CHED N#CC1(CCOC(=O)c2cccnc2Cl)CCCCC1 840017286 YDBLXXUXVCXBLG-UHFFFAOYSA-N 292.766 3.756 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)n1)[C@H]1C[C@@H]1C 841626979 XHJZJYXBVHCHPB-IUCAKERBSA-N 271.286 3.934 30 20 CHED C=C(CC)COC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C 847721448 HSSDAKKNFJETRR-LBPRGKRZSA-N 290.407 3.659 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C2CCC3(CC2)CC3)C1 851084854 XWQHDHPOOVPCCT-TZMCWYRMSA-N 261.365 3.582 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@@H](C)CCCOC 851144920 UULXHVMOMYCTQA-ZNMIVQPWSA-N 268.397 3.727 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C\c1cccs1 851201902 CNILDUDFHDPNFT-JMEBYUIHSA-N 263.362 3.633 30 20 CHED C#CC1CCC(=NNc2nccc3sccc23)CC1 853294620 XXEDWSWXKGMDHA-UHFFFAOYSA-N 269.373 3.888 30 20 CHED CC(CC(C)(C)C#N)=NNc1ccc(Br)nc1 853308054 YWMYZOSIWLFOTD-UHFFFAOYSA-N 295.184 3.572 30 20 CHED COc1cccc(C=NN2CCCC[C@H]2C)c1OC(C)C 853379177 FEYLYVVQLJYVQS-CQSZACIVSA-N 290.407 3.691 30 20 CHED Cc1cc(Br)ccc1CON=CC1CC1 853735002 MZOBZGGHGDRKTK-UHFFFAOYSA-N 268.154 3.670 30 20 CHED C#CCCOC(=O)N1CCCc2cc(Cl)cc(C)c21 858994292 HFHFCIQXJNCAMP-UHFFFAOYSA-N 277.751 3.561 30 20 CHED CCCCCCCNC(=O)CCCc1nccs1 862357246 RAACEQWUWUXVRA-UHFFFAOYSA-N 268.426 3.552 30 20 CHED CCc1ccccc1NN=C(C)c1nc(C)cs1 863079089 SKZHUJARDILNSR-UHFFFAOYSA-N 259.378 3.850 30 20 CHED C[C@@H]1C(=NNc2ccc(F)c(Cl)c2)CC[C@@H]1CC(=O)O 863179131 PNXHOIQYUIADHW-DTWKUNHWSA-N 298.745 3.768 30 20 CHED C=C1CCN(C(=O)Nc2ccc(Cl)c(OC)c2)CC1 864253591 YXFAOBIVTLNNEV-UHFFFAOYSA-N 280.755 3.533 30 20 CHED C#CCC1(C(=O)Nc2ncc(F)cc2Cl)CCCCC1 875847121 JUPJVQJEKMHVMH-UHFFFAOYSA-N 294.757 3.786 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(CC(F)F)C1CCC1 884257691 CJZOIMDELYLJRE-LLVKDONJSA-N 274.355 3.560 30 20 CHED C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2F)CC(C)(C)C1 888363937 WIWTYNOLKKQAMO-NSHDSACASA-N 289.354 3.597 30 20 CHED CSC1(CNc2ccc(C#N)cc2Cl)CCOCC1 892681715 MXXFDMIIAHGPAW-UHFFFAOYSA-N 296.823 3.536 30 20 CHED C=C(C)COc1cccc(NCc2ocnc2C)c1 894123280 HPSNDEHZUORJRG-UHFFFAOYSA-N 258.321 3.550 30 20 CHED C#Cc1cncc(-c2noc([C@@H](CC)CC(F)(F)F)n2)c1 896553354 AYVVRDRRIFOHDS-JTQLQIEISA-N 295.264 3.559 30 20 CHED COC[C@@H](Sc1ccc(C#N)c(C)n1)c1ccccc1 897004375 ZMBLQICMBLAHBY-OAHLLOKOSA-N 284.384 3.742 30 20 CHED CCc1onc(C)c1/C=C1\C(=O)c2ccccc2[C@H]1C 899375315 WWBNLYRYJQWKEA-AHEVQNHNSA-N 267.328 3.929 30 20 CHED C#Cc1ccc(C(=O)N(CC)[C@H](CC)c2ccncc2)cc1 900795582 QILZPLTYVCDZSI-GOSISDBHSA-N 292.382 3.676 30 20 CHED N#CC1(CCCCn2ccc(-c3ccc(F)cn3)n2)CCC1 902749578 QQDTVUOPFLOMNN-UHFFFAOYSA-N 298.365 3.948 30 20 CHED C=CCCC[C@@H](N)c1nc(CC2(C)CCCC2)no1 904720709 DMTAGHDQUASPEE-GFCCVEGCSA-N 263.385 3.549 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C(\C)Cl 908154569 BENYFYGLXWYSFR-AWNIVKPZSA-N 295.814 3.511 30 20 CHED CCC(=NNc1cc(C)nc(C)n1)c1ccc(Cl)cc1 915970644 KLJQOBABWCAFCW-UHFFFAOYSA-N 288.782 3.973 30 20 CHED Cc1ccc(NN=Cc2ccc3ncccc3c2)cc1 916250528 KORHQERIEWKLBV-UHFFFAOYSA-N 261.328 3.989 30 20 CHED Fc1ccc(NN=Cc2c(F)cccc2F)cc1 916268179 ORTWRZLWVNXYCM-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1ccc(O)cc1 916286788 VOQPWASXTUUQPM-UHFFFAOYSA-N 277.327 3.777 30 20 CHED C=C(Cl)COC(=O)C1(c2ccccc2)CCCC1 916610041 NKKGBPWFOWSPRU-UHFFFAOYSA-N 264.752 3.794 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1 917517665 QTEHGBNHGYCEFB-YCRREMRBSA-N 294.350 3.916 30 20 CHED CCCCCCCOC(=O)c1[nH]c(C)c(C(C)=O)c1C 918493518 ZYEGKQKKDPTQKI-UHFFFAOYSA-N 279.380 3.961 30 20 CHED CS[C@@H]1CCC[C@H](NC2(c3cccc(C#N)c3)CC2)C1 921926278 UVRWJFKDFANZNP-JKSUJKDBSA-N 286.444 3.811 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H](C)C2(Cl)CC2)c1 925412713 CBLCVUPOSRWZTE-OCCSQVGLSA-N 292.810 3.617 30 20 CHED C[C@@H](CC(C)(C)C#N)NCC[C@]1(C)CC1(Cl)Cl 926532179 SDJWKKLLDHGGKD-CMPLNLGQSA-N 277.239 3.878 30 20 CHED C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C#N)C1 928219841 CSJLVJVQEDLSKH-UQTJOTSZSA-N 288.778 3.505 30 20 CHED C[C@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccc2ccccc2c1 928220418 IRXUAGBSQIAFTL-GJZGRUSLSA-N 292.382 3.705 30 20 CHED C=C[C@@H](CC)CC(=O)NC1(c2nccs2)CCCC1 932980329 WCKKODQMLQRXGM-LBPRGKRZSA-N 278.421 3.631 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)ccn1 935697321 KGZCDUALNKIZKK-QGZVFWFLSA-N 292.382 3.929 30 20 CHED CC(C)CC[C@H]1CCCC1=NNCC1CCOCC1 1116077665 XFHGWKIVGZAVCU-OAHLLOKOSA-N 266.429 3.595 30 20 CHED CCn1ccnc1C(C)=NNc1ccc(C)c(Cl)c1 1117830598 GOIJIUGMRBNOJU-UHFFFAOYSA-N 276.771 3.701 30 20 CHED C/C=C(/CC)C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1123347030 QSTHBOWQDAVOHF-BNFOFFDWSA-N 287.750 3.749 30 20 CHED Cc1cc(C(=O)O[C@@H](CC#N)c2ccco2)sc1C 1123368994 JZYGEBOPIVUJGN-LBPRGKRZSA-N 275.329 3.770 30 20 CHED N#C[C@@H]1CCCN(CCc2c(Cl)cccc2Cl)C1 1197622164 RPJRGNZIXHDBFR-NSHDSACASA-N 283.202 3.771 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@]2(C)CC(C)C)cc1C#N 1261336019 QKTCNZSDGQZULI-SFHVURJKSA-N 284.403 3.908 30 20 CHED Cc1ccc(Cl)cc1C/N=C/c1cccc(O)c1O 1262668939 IJOCBHYMURURLU-CAOOACKPSA-N 275.735 3.679 30 20 CHED Cc1cc(OC(=O)c2ccc(C#N)[nH]2)ccc1C(C)C 1263136759 MBWDNOKHBCAXKE-UHFFFAOYSA-N 268.316 3.537 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 1263856263 KUASUCSDVUGWKF-SNVBAGLBSA-N 287.281 3.729 30 20 CHED CC[C@@H](Cc1ccc(F)cc1)Nc1ncc(C#N)cc1F 1307164471 RAGBRZDVARFZAT-AWEZNQCLSA-N 287.313 3.665 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1313142964 ZIELEDDTCWWFBR-GJZGRUSLSA-N 292.810 3.923 30 20 CHED CCCC(CCc1ccccc1)=NNC(=S)NC(C)C 1318783165 VLANWNHQWPADQF-UHFFFAOYSA-N 291.464 3.648 30 20 CHED CS[C@H]1CC[C@H](N(C)CC#Cc2ccc(Cl)cc2)C1 1318960395 MTFNLERTMKLWQT-HOTGVXAUSA-N 293.863 3.907 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 1320739732 KPAMBCCOMDSEPM-LBPRGKRZSA-N 293.326 3.543 30 20 CHED C[C@@H]1CCc2nc(C=NOCCC(F)(F)F)sc2C1 1327800092 HOPQDUSQAUMDJS-MRVPVSSYSA-N 292.326 3.571 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)c1ccc(F)c(F)c1 1328699553 FHYWSQAAAKYNRD-JTQLQIEISA-N 254.276 3.578 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)[C@H]1C[C@@H]1C1CC1)c1cccs1 1343900821 IBZOJRCYKHYLHM-QJZXMWHDSA-N 289.400 3.928 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NC1(C(F)(F)F)CCC1 1345303144 JVIWLAHQRKCJRS-NSHDSACASA-N 290.329 3.612 30 20 CHED C=C(C)CCC(=O)Nc1cccc(Cl)c1OCCOC 1346764761 YDCWSVBCALMQHR-UHFFFAOYSA-N 297.782 3.660 30 20 CHED CCCC[C@](C)(F)C(=O)Nc1ccc(F)c(C#N)c1 1358423832 CHXLFMWNWPSREY-AWEZNQCLSA-N 266.291 3.554 30 20 CHED CSc1ccc(N(C)C(=O)c2cc(C#N)ccc2C)cc1 1360279999 IYZROWBGGCXOKJ-UHFFFAOYSA-N 296.395 3.865 30 20 CHED CC(F)(F)c1ccccc1NC(=O)c1ccsc1C#N 1436294763 JGBWESODOZXCME-UHFFFAOYSA-N 292.310 3.984 30 20 CHED CCC1CCC(N(C)c2cc(C)c(C#N)cn2)CC1 1458222451 SLAIIBHSYMVVEO-UHFFFAOYSA-N 257.381 3.667 30 20 CHED N#Cc1ccccc1SCc1ccc2c[nH]nc2c1 1472989582 BFZVMHRBLBIWIH-UHFFFAOYSA-N 265.341 3.727 30 20 CHED Cc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cs1 1476922989 DSKVEDOVFRIJAQ-NSHDSACASA-N 285.372 3.811 30 20 CHED CC[C@H](CCc1ccccc1)NC(=O)c1ccc(C#N)cc1 1532651133 PFLYIBHCHCREQW-GOSISDBHSA-N 292.382 3.699 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1cccc(C#N)c1C 1533221645 SWBXSLJQBLHGIY-UHFFFAOYSA-N 282.318 3.875 30 20 CHED Cc1c(C#N)cccc1C(=O)NCC1CCCCCC1 1543453889 DJOBGWNGULQQFM-UHFFFAOYSA-N 270.376 3.567 30 20 CHED Cc1csc(CNc2ncc(Cl)c(C)c2C#N)c1 1559195012 RPTIDEVTHMSFMX-UHFFFAOYSA-N 277.780 3.897 30 20 CHED CCCCCCCCCC(=O)N1CC[C@H](C)[C@H](C(=O)O)C1 1573841248 RMDTTYSUVRFQHT-LSDHHAIUSA-N 297.439 3.696 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC1CCC(C2CCC2)CC1 1587772404 RXGDUUKKDBGJRC-UHFFFAOYSA-N 296.414 3.955 30 20 CHED C=CCCC[C@@H](NC(=O)CC1CCC(C)(C)CC1)C(=O)O 1602863096 LCDQJOSASDNHTA-CQSZACIVSA-N 295.423 3.519 30 20 CHED CCc1ccc2ccccc2c1CNC(=O)CC(C)(C)C#N 1611429502 MKWYGQREBAATEG-UHFFFAOYSA-N 294.398 3.958 30 20 CHED C[C@@H]1CN(C(=O)c2cccc(F)c2C#N)[C@@H]1c1ccccc1 1620454466 XMUYQASMYLVCKJ-PXAZEXFGSA-N 294.329 3.531 30 20 CHED N#Cc1cccc(CNc2cnc3cc(Cl)ccc3n2)c1 1639257193 VNJATXMHCALCOJ-UHFFFAOYSA-N 294.745 3.767 30 20 CHED N#Cc1cnc(SCC2CCCCC2)c(F)c1 1650683214 GHIZHPUOFDYFMN-UHFFFAOYSA-N 250.342 3.765 30 20 CHED N#Cc1cnc(Sc2ccc(C(F)(F)F)cn2)c(F)c1 1651336716 CTAXTHJPUUHTGA-UHFFFAOYSA-N 299.252 3.657 30 20 CHED C=C(Cl)CSc1cccc(C(=O)OCC)c1 1656515800 UQIQSOGACBCULX-UHFFFAOYSA-N 256.754 3.708 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1sccc1C#N 1671450157 XXPGVMBYWCOBHO-NXEZZACHSA-N 277.393 3.566 30 20 CHED CC1(C)CC(=NNc2ccccc2C(=O)O)CC1(C)C 1776031938 FXLXQEDMTSCDLC-UHFFFAOYSA-N 274.364 3.999 30 20 CHED C=CCc1ccccc1CN[C@H](C)CCC[C@@H](C)C(=O)O 1776188510 XEGUYEHWEDCXMC-HUUCEWRRSA-N 289.419 3.784 30 20 CHED C[C@@H]1C/C(=C/c2ccc(C(=O)O)nc2)C(=O)c2sccc21 1776589505 HMYJROHOZIQCDF-MDXIRLPMSA-N 299.351 3.615 30 20 CHED O=C1/C(=C\c2cccnc2)CSc2c(F)cccc21 8747259 ANMSCWPIRXRVBJ-XFFZJAGNSA-N 271.316 3.593 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1 16391879 KJPOZZNOAKSMPG-ZHACJKMWSA-N 287.309 3.927 30 20 CHED Cc1ccc(C)c(OCc2ccc(C#N)cc2F)c1 19804877 WEKUWRBHKPNBAQ-UHFFFAOYSA-N 255.292 3.893 30 20 CHED COc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1 19964750 GIZLUFDOTHUPOM-GFCCVEGCSA-N 252.317 3.740 30 20 CHED N#Cc1ccc(CNc2cc(F)cc(F)c2)c(F)c1 20054618 OSWMNQFCKATIMO-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C=CCOc1ccc(CNC2CCC(C)CC2)cc1 21812318 FTCYWEGBUVCPDU-UHFFFAOYSA-N 259.393 3.920 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2)c(OC)c1 32063344 WIVAGKMXNMVMFC-LUAWRHEFSA-N 268.312 3.600 30 20 CHED C=CCOc1ccccc1CNc1ccccc1[N+](=O)[O-] 37298433 RIYQOKAUNNPAGE-UHFFFAOYSA-N 284.315 3.772 30 20 CHED Cc1ccc(C#N)c(Sc2ccc(C(F)(F)F)cn2)n1 43400733 WUPHZMSVGDYEPB-UHFFFAOYSA-N 295.289 3.827 30 20 CHED C=CCSCC(=O)Nc1ccc(C)c(Cl)c1 44257998 UQLHIZIPPRKDJK-UHFFFAOYSA-N 255.770 3.506 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc(Oc2ccccc2)c1 44827992 QKNVYKLIFLHUKM-CYBMUJFWSA-N 280.327 3.967 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(Oc2ccccc2)c1 44827994 OMNZHSBKQLARRC-LBPRGKRZSA-N 266.300 3.577 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCc1ccsc1 45934577 UCLMVEMNBQHXSJ-UHFFFAOYSA-N 285.412 3.896 30 20 CHED N#Cc1ccc(NCCSc2ccc(Cl)cc2)nc1 48399097 OIROSVHEWHNUNX-UHFFFAOYSA-N 289.791 3.811 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)nc1 51953174 LFOCTLRHMPCLAZ-UHFFFAOYSA-N 292.125 3.512 30 20 CHED N#Cc1ccsc1C(=O)Nc1cccc(Cl)c1F 52028594 FCTMKITZCKULKS-UHFFFAOYSA-N 280.711 3.665 30 20 CHED C/C(=C/C(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1 55201073 RLVQOLSZZGDXFB-PTNGSMBKSA-N 290.366 3.620 30 20 CHED CCc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 57381986 PHKYARTWXLHZJA-UHFFFAOYSA-N 264.372 3.753 30 20 CHED COc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1 57825207 VOKHWXOGLWFVJX-MDZDMXLPSA-N 274.266 3.870 30 20 CHED C=C(C)CN(CC)Cc1ccc(Br)cc1 61758530 OUCDVBUPJZHZJW-UHFFFAOYSA-N 268.198 3.847 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](CC)c1ccc(Cl)cc1 69336695 AMWOGCDFXGBNKS-DOMZBBRYSA-N 295.810 3.889 30 20 CHED CCC(CC)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 73561617 XKYPEDHXGVFHLG-UHFFFAOYSA-N 297.320 3.609 30 20 CHED CCC(C)(C)CC(=O)Nc1sc2c(c1C#N)CCC2 75078308 IGYNSYAFTMFTBU-UHFFFAOYSA-N 276.405 3.873 30 20 CHED C=CCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 77169204 FOQOTFGPDTZNCL-UHFFFAOYSA-N 276.767 3.847 30 20 CHED N#Cc1nc(N2CC[C@H](Cc3ccccc3)C2)ccc1Cl 78334874 NCCKGBINEMWXPV-CQSZACIVSA-N 297.789 3.676 30 20 CHED COc1ccc(CNc2cccc(OCCCC#N)c2)cc1 79724292 KQNUMRYBXOCSQY-UHFFFAOYSA-N 296.370 3.990 30 20 CHED Cc1ccc(C)c(NCc2ccc(F)c(C#N)c2)c1 83399080 WSIDYLNEGWKBKY-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C[C@@H]1CC[C@H](Nc2ccc(OCC#N)cc2)[C@H](C)C1 85085965 AATVMBBKUZKGDQ-IOASZLSFSA-N 258.365 3.826 30 20 CHED CCN(Cc1cccc(-c2ccncc2)c1)C[C@H](C)C#N 91983448 KJJUFXVBVBKWLL-OAHLLOKOSA-N 279.387 3.730 30 20 CHED C[C@H](N[C@H](C)c1ccc(F)cn1)c1ccc(C#N)cc1 92195868 VYHVYVSOZQWCPD-NWDGAFQWSA-N 269.323 3.504 30 20 CHED CCCN(CC#N)Cc1cc(Cl)cc(Cl)c1OC 92398349 SKEJDKSECNREPH-UHFFFAOYSA-N 287.190 3.738 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)Cc1cc(C#N)cs1 93316153 FCAUFLPNMVQAQE-NSHDSACASA-N 272.373 3.518 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc(Cl)c1N(C)C 105003943 KZMZUAHIGOHXBV-UHFFFAOYSA-N 295.814 3.836 30 20 CHED C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccccc1F 108994981 XGPGUCATRYXSSC-CYBMUJFWSA-N 290.382 3.718 30 20 CHED C=CC1CCN(c2cccc(C(F)(F)F)n2)CC1 110595307 DNAROHOMQDFKRC-UHFFFAOYSA-N 256.271 3.503 30 20 CHED C=CCCCS[C@H](C)C(=O)Nc1cccc(F)c1 117944544 KXMUMRWOEUFQSS-LLVKDONJSA-N 267.369 3.852 30 20 CHED C#Cc1cccc(N(C)C(=O)C(C)(C)c2cccc(F)c2)c1 120142900 CHDLJYYVTMLJTR-UHFFFAOYSA-N 295.357 3.748 30 20 CHED COc1cc(C#N)ccc1CN(C)Cc1ccc(C)cc1 120555042 SGFOEAWFVKFBFN-UHFFFAOYSA-N 280.371 3.507 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2=CCCC2)cc1 121067756 KFBNMEQZSNGDTG-UHFFFAOYSA-N 254.333 3.537 30 20 CHED N#Cc1ccsc1NC(=O)CCc1ccc(Cl)s1 128459280 HSCJZEKPMHVCOT-UHFFFAOYSA-N 296.804 3.906 30 20 CHED C[C@H]1C/C(=C/c2cncs2)C(=O)c2ccccc21 131138420 XVFWQTVOPZNTNZ-QBQSQJOESA-N 255.342 3.917 30 20 CHED CC(C)(CCC#N)CNc1cnn(Cc2ccccc2)c1 132067258 WRAXABXGZQFSBP-UHFFFAOYSA-N 282.391 3.673 30 20 CHED C[C@@H]1CCC[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 132789165 RWOXSDPIAWQHKO-BMFZPTHFSA-N 285.391 3.519 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2nnc(CC)o2)c1 135088876 PWZRQOATVZFUGG-KRWDZBQOSA-N 299.374 3.840 30 20 CHED N#Cc1ccc2[nH]c(-c3cnc(C4CCC4)s3)nc2c1 154238323 CLLPOHMEFUNQCI-UHFFFAOYSA-N 280.356 3.826 30 20 CHED CCCn1c(-c2ccc(O)cc2)nc2cc(C#N)ccc21 155089265 FCKNLPXKWCSGBF-UHFFFAOYSA-N 277.327 3.691 30 20 CHED Cc1ccc(NC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1 155765667 QIWBIWAFVGXOPW-CYBMUJFWSA-N 299.399 3.821 30 20 CHED N#CC1(C(=O)Nc2cc(F)cc(Cl)c2)CCCCC1 158375158 OWNAIARVMQYRCB-UHFFFAOYSA-N 280.730 3.892 30 20 CHED Cc1cccc(NC(=O)CSc2cccc(C#N)c2)c1C 158787783 FZZGKSFQPHTHIE-UHFFFAOYSA-N 296.395 3.906 30 20 CHED CCCCCCCCNC(=O)c1ccncc1Cl 161007790 FIIKGZHHHBDJBS-UHFFFAOYSA-N 268.788 3.825 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(C(F)F)c1 171390834 LJLMCWIAZCSIOX-UHFFFAOYSA-N 266.291 3.830 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(C)c(C)c2ncccc12 173116731 NSVBIJRNUOWCNU-CQSZACIVSA-N 298.386 3.771 30 20 CHED C=CCOCCCC(=O)N(C)[C@@H](C)c1ccccc1Cl 173362874 WFSPNTLORHRPBQ-ZDUSSCGKSA-N 295.810 3.842 30 20 CHED CC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccncc1 174436473 SCDDSCXKIYHYPY-RDTXWAMCSA-N 295.386 3.613 30 20 CHED N#CCC1(COC(=O)/C=C/c2ccc(Cl)cc2)CC1 174750876 HRNZCWYTWWIECT-ZZXKWVIFSA-N 275.735 3.590 30 20 CHED C=CCCCC(=O)Nc1cccc(CN2CCCCC2)c1 175274692 WAHXTQXTWADKQS-UHFFFAOYSA-N 286.419 3.967 30 20 CHED C=CCCC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 176204348 SEZRFAAIMBCLGD-UHFFFAOYSA-N 283.331 3.519 30 20 CHED CN(CCC#N)C(=O)Nc1ccccc1-c1ccccc1 176542504 ZIXMFFQSTKVOJE-UHFFFAOYSA-N 279.343 3.731 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N(CC)Cc1ccccc1 177864166 FMKHOYPNMCOCNW-AWEZNQCLSA-N 277.433 3.733 30 20 CHED C=C(C)CS[C@H](C)C(=O)Nc1cccc(Cl)c1 177868869 DLVXDAOVMHVMDW-SNVBAGLBSA-N 269.797 3.976 30 20 CHED C=CCCC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 178131102 DWOOZYSCHRIAQT-HNNXBMFYSA-N 263.356 3.995 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cnn(Cc2ccccc2)c1 180946484 AYPDLQIGKRSIMY-CABCVRRESA-N 269.392 3.547 30 20 CHED CN(CCC1CC1)Cc1ccc(C#N)cc1Br 181185924 NXKGPMDPBFHMBR-UHFFFAOYSA-N 293.208 3.553 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Cc1ccccc1F 182592350 XGSAJUMTWNUIKK-ZIAGYGMSSA-N 277.383 3.865 30 20 CHED Cc1cc(C)c(CN[C@H]2CCC[C@@H](C#N)C2)c(C)c1 185802450 PJLYFIZHNKHDLO-CVEARBPZSA-N 256.393 3.784 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)c2cccc(F)c2O1 185984348 UTSYUTJDRDKNLK-LBPRGKRZSA-N 276.355 3.743 30 20 CHED Cc1cnc([C@@H](C)CN[C@H](C)c2ccc(C#N)cc2)s1 186771230 HKOWQRBABZEBSY-WCQYABFASA-N 285.416 3.778 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cccc(SC)c1 187745439 XYNDSRFKVAMINO-OAHLLOKOSA-N 279.405 3.576 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1ccccc1CC 187999456 SAYUUWHNKVEDEO-UHFFFAOYSA-N 286.419 3.770 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccccc1OCC(F)F 188011702 QDUORKOAOZAGQJ-OAHLLOKOSA-N 283.318 3.871 30 20 CHED CC(C)c1cnc(NC(=O)c2cccc(F)c2C#N)s1 188278699 HQGBMYHHLMAVBP-UHFFFAOYSA-N 289.335 3.530 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)CCc1ccccc1 189772722 TYHUTZISNMDNDS-RHSMWYFYSA-N 259.393 3.726 30 20 CHED CC(C)N(C)C(=O)[C@@H](C)S[C@H](C)c1cccc(C#N)c1 190904331 VZUITOIIIDJTDN-CHWSQXEVSA-N 290.432 3.608 30 20 CHED C/C(=C\C(=O)N[C@@H](C)CC#N)c1ccc(C(F)(F)F)cc1 194622685 BWCQDFDKCUVGLR-USKTWTLRSA-N 296.292 3.527 30 20 CHED C=CCC[C@H](N[C@@H]1CCOC[C@H]1C)c1ccccc1 195079593 DPUDBVYDAVQVGU-OIISXLGYSA-N 259.393 3.709 30 20 CHED C=C(C)CN(CC)C(=O)NCCCC1CCCC1 195647427 UYGSZEHWKFQZLN-UHFFFAOYSA-N 252.402 3.564 30 20 CHED N#Cc1ccc(NC(=O)NCCCCc2ccccc2)cc1 243068637 IJUPHGRULWUQRB-UHFFFAOYSA-N 293.370 3.703 30 20 CHED C[C@@H]1CCC[C@@H](N(C)Cc2ccc(O[C@H](C)C#N)cc2)C1 245503534 IHGAFFKWBOGVNN-BFYDXBDKSA-N 286.419 3.988 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 248454060 ZGZUQLPAYUPLKA-KCXAZCMYSA-N 283.375 3.601 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H]1CCN(Cc2ccccc2)C1 249114816 RXFSAGIOLFGOGX-YQVWRLOYSA-N 286.463 3.699 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)cc1)c1cncc(F)c1 255231959 IZOUPGQOEQNMGI-UTCJRWHESA-N 293.244 3.718 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccccc1C(F)(F)F 255573698 DFFPUZQVUPKUFX-FPLPWBNLSA-N 294.276 3.818 30 20 CHED Oc1ccc(C=Nc2ccc(C(F)(F)F)cc2)c(O)c1O 255863068 PMDQFGIMTQVVLR-UHFFFAOYSA-N 297.232 3.573 30 20 CHED CCc1nc([C@@H](C)Nc2ncc(C#N)cc2Cl)cs1 264758331 NFTWPWSQQQNHAZ-MRVPVSSYSA-N 292.795 3.799 30 20 CHED CC[C@@H](Nc1cccc(C#N)n1)c1ccc(OC)cc1 267248532 TZPIRJBASACPSV-OAHLLOKOSA-N 267.332 3.525 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1ccc(F)cc1F 268150797 KPXWEGOCIYYFAW-UHFFFAOYSA-N 279.330 3.692 30 20 CHED Cc1ccc(C)n1C1CCN(CCC(C)(C)C#N)CC1 272027880 OEJREQGOPHFESM-UHFFFAOYSA-N 273.424 3.682 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 274852118 RDXMLGRTIDJKTC-ZDUSSCGKSA-N 272.392 3.652 30 20 CHED C=CCC1(C(=O)N[C@H]2CCc3ccccc32)CCC1 276593697 QDHCKQXPVRFUQS-HNNXBMFYSA-N 255.361 3.537 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 280258016 UUPDFJPQBLHTBF-KBPBESRZSA-N 284.403 3.748 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 281216109 CSTWYNODFCSOES-GDBMZVCRSA-N 290.382 3.679 30 20 CHED CC(C)c1[nH]ccc1C(=O)N[C@H](C)c1ccc(C#N)cc1 285365959 HYOOIRUUULHJSK-GFCCVEGCSA-N 281.359 3.501 30 20 CHED C[C@]1(c2ccccc2)CCCN(C[C@@H](C#N)CCC#N)CC1 285432196 RENOXOAPVBLPPR-MJGOQNOKSA-N 295.430 3.874 30 20 CHED CCCCCCCCCCN[C@@H](C)c1ccc(=O)[nH]n1 286239762 TXGCBGCAFCXVDI-AWEZNQCLSA-N 279.428 3.561 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 286772921 LRNNHMNFNZADRB-AEFFLSMTSA-N 284.403 3.853 30 20 CHED Cc1ccc2oc(-c3noc(CC(C)(C)C#N)n3)cc2c1 289329663 ZKNWCJGJTFHIFG-UHFFFAOYSA-N 281.315 3.884 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 289654178 DNAQDJZGCXLESS-UHFFFAOYSA-N 291.351 3.587 30 20 CHED C=C(C)COc1cccc(NC(=O)c2conc2C2CC2)c1 290020241 FECZQLUSIFJPSX-UHFFFAOYSA-N 298.342 3.759 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 290744278 HUWAJHOZACFYLD-TZMCWYRMSA-N 291.376 3.553 30 20 CHED CC(C)(C)[C@@H]1CN(C(=O)CCCC#N)c2ccccc21 291830613 DSQTYTRSIWTEON-CQSZACIVSA-N 270.376 3.857 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1cccc(OCC#N)c1 294534015 PWYBOIBRVVGTKE-XJKSGUPXSA-N 286.375 3.744 30 20 CHED C=CCC[C@@H](CCC)NCCc1scnc1C 295081682 SCPJFABZDHAVMZ-CYBMUJFWSA-N 252.427 3.719 30 20 CHED N#Cc1ccc(/C=C/c2nc(C3CC(F)(F)C3)no2)cc1 296525783 RKHFFHLMWMERBX-AATRIKPKSA-N 287.269 3.624 30 20 CHED C[C@H](NCC(C)(C)c1ccccn1)c1ccc(C#N)c(F)c1 296641403 CCRNEAXMDWFKNO-ZDUSSCGKSA-N 297.377 3.721 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)NCCC(C)(C)C1CC1 296889447 MFSHKJJRECBCIU-UHFFFAOYSA-N 299.418 3.526 30 20 CHED C=CCN(CCc1ccccc1)[C@@H](C)c1nc(C2CC2)no1 298028828 FDLIUVSQSKMTKG-AWEZNQCLSA-N 297.402 3.739 30 20 CHED N#Cc1sc(NC[C@@H]2C[C@H]3CC[C@H]2C3)nc1Cl 300137041 PPYNIBUEYVCXIM-CIUDSAMLSA-N 267.785 3.516 30 20 CHED N#Cc1nccnc1Nc1cccc(Oc2ccccc2)c1 301147879 MWJDCWZIHLBMRF-UHFFFAOYSA-N 288.310 3.884 30 20 CHED Cc1cc(F)cc2c(NCc3ccccn3)c(C#N)cnc12 301356497 OSNIMYMKFWFWLC-UHFFFAOYSA-N 292.317 3.561 30 20 CHED C[C@H](Nc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 301455476 RXNGRGDATXXFPE-AWEZNQCLSA-N 288.354 3.917 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2c2cccc(F)c2)cc1 302827092 BBOLIWPGFBUXON-JKSUJKDBSA-N 252.292 3.665 30 20 CHED COc1cc(Br)ccc1OCC1(CC#N)CC1 310101054 XTLLCCGXAHQXQO-UHFFFAOYSA-N 296.164 3.530 30 20 CHED CCCN(CCC)c1nc(C)c(C#N)cc1Cl 310237081 IIXOOLUTVAPZGD-UHFFFAOYSA-N 251.761 3.542 30 20 CHED C=CCCCCCCNCc1ccc([N+](=O)[O-])cc1 312088528 YAKHCVUFIAJYED-UHFFFAOYSA-N 262.353 3.821 30 20 CHED OC1=N[C@@H](/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 328769212 CBRZASXVFVNMNJ-IGQOVBAYSA-N 278.396 3.811 30 20 CHED C[C@H](CCC1CC1)/N=C(/O)N[C@@H]1CCOC2(CCCC2)C1 329891397 HUNIOBHNNSSARJ-UKRRQHHQSA-N 294.439 3.561 30 20 CHED C[C@H](S[C@@H]1CCCN=C1O)/C(O)=N/C1CCCCC1 330168780 BBTQGDIZVMTXFB-CMPLNLGQSA-N 284.425 3.516 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 331970346 QXXZSEDDPJLBRE-APPDUMDISA-N 294.354 3.828 30 20 CHED N#CCc1cccc(NC(=O)N2CC(C3CCCCC3)C2)c1 333715998 ULZCPAXFJZMODF-UHFFFAOYSA-N 297.402 3.797 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccco1 334536075 BUJQUAOHDQLLQM-KRWDZBQOSA-N 266.344 3.709 30 20 CHED N#Cc1cnc(C(=O)Nc2ccc(Cl)cc2)c(Cl)c1 334659818 YPEKQYODVFLBOD-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC1(C#N)CCC(N[C@H]2CCOC3(CCCCC3)C2)CC1 336215853 ONIVUELKYQBCBO-CGZBRXJRSA-N 290.451 3.930 30 20 CHED C=CCC(C)(C)CNCc1cn(-c2ccccc2)nc1C 339416697 JFBVGJFBTFOQCK-UHFFFAOYSA-N 283.419 3.873 30 20 CHED CN1CCCC[C@H]1CCSc1ccccc1C#N 340694985 GUQBMPBRUWLTSN-AWEZNQCLSA-N 260.406 3.525 30 20 CHED CCOc1cc(NC(=O)c2ccc(F)c(C#N)c2)ccc1C 340759728 VGKDIIVTMRZTIA-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 340924903 ZTPFBSIIRUHEHM-MRXNPFEDSA-N 282.318 3.578 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1cccc2cccnc12)OCC 341374741 PSLWLIHUPVQKIG-INIZCTEOSA-N 298.386 3.569 30 20 CHED CN(C(=O)C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1C#N 341489701 RDYKLVNJRMEORX-IAGOWNOFSA-N 290.366 3.715 30 20 CHED CCOc1cccc([C@H]2C[C@H]2Nc2nc(C)ccc2C#N)c1 342816662 JBYGJKYUJKNOFF-IAGOWNOFSA-N 293.370 3.628 30 20 CHED CCOC(=O)c1cccc(Sc2nc(C)ccc2C#N)c1 343098808 LFXWDVKLCNVNBS-UHFFFAOYSA-N 298.367 3.590 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1ccc2n[nH]cc2c1 343941897 IUECZYBADODTJD-JTQLQIEISA-N 280.306 3.747 30 20 CHED C=CCCN(C)C(=O)c1cnn(C2CCCC2)c1CCC 344284252 JUMCSTTXSXZTSQ-UHFFFAOYSA-N 289.423 3.599 30 20 CHED C=CCCCNC(=O)c1cc2cc(C)ccc2nc1C 344496630 KEVXHYDLCORMEI-UHFFFAOYSA-N 268.360 3.548 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(CSC)cc1 346141772 RJBPSDHEGAUNSP-OAHLLOKOSA-N 292.448 3.704 30 20 CHED CN(Cc1ccccc1)C(=O)C[C@@H](CC#N)c1ccccc1 353317534 YIRUQSXBTJYTAL-GOSISDBHSA-N 292.382 3.733 30 20 CHED C=CCCOCCNC(=O)c1ccc(C2=CCCC2)cc1 355119611 LOERVNVWFXJNMX-UHFFFAOYSA-N 285.387 3.576 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2ccoc2)cc1 356619793 JMHUHUKGAHEWLR-INIZCTEOSA-N 296.370 3.501 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC[C@H](C)SC 358544509 MLWAXTWHDFAUGE-LBPRGKRZSA-N 283.462 3.794 30 20 CHED C=CCOCCCSCc1ccc(C#N)c(C)c1 359126156 WIMMFXMGKLQDSK-UHFFFAOYSA-N 261.390 3.693 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NC1CCSCC1 360657591 OGEQQVJIVWUYHW-QGZVFWFLSA-N 286.444 3.811 30 20 CHED C=CCCOCCNC(=O)Nc1ccc(C2CC2)c(C)c1 360816227 ABRHCRXHUYYKGZ-UHFFFAOYSA-N 288.391 3.587 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1ccc(C)cc1 361085344 DZMHFKCNHNRIBH-KRWDZBQOSA-N 269.388 3.852 30 20 CHED CCC[C@H](CNc1cccc(Br)c1C#N)OC 383237792 CJDFAZJRUSVRCO-SNVBAGLBSA-N 297.196 3.548 30 20 CHED Cc1cc(C#N)cc(C)c1OCCOc1cccc(C#N)c1 388147764 QRHBZSMJIVTICD-UHFFFAOYSA-N 292.338 3.505 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Cc2ccc(C#N)cc2)C1 394211573 INYNNSUUSNZPCN-QFBILLFUSA-N 296.414 3.528 30 20 CHED CC(C)=CCCNC1CC(C#N)(c2ccccc2)C1 397905511 ZRPYTBFCPRHLQU-UHFFFAOYSA-N 254.377 3.556 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 410637076 BRAFNSAXSNOBLP-HNNXBMFYSA-N 284.403 3.877 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1oc(C)cc1C 412841263 OSBXJVWGPWLORD-MRXNPFEDSA-N 283.371 3.814 30 20 CHED CC(C)c1nc(SCCC#N)cc(C(C)(C)C)n1 413480003 ZUSUWHAIJLODPO-UHFFFAOYSA-N 263.410 3.903 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(CNCC)c1 415936674 UKUPOVFUZGVFAG-UHFFFAOYSA-N 289.423 3.520 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)s1 416104933 KFLJEFQRJJQDAB-OAHLLOKOSA-N 296.395 3.736 30 20 CHED CC[C@@H](CSc1ccc(C#N)cc1Cl)OC 416923571 NWRCWRZRIYNOEJ-JTQLQIEISA-N 255.770 3.729 30 20 CHED CC(C)(C)c1noc([C@@H](C#N)CCc2ccccc2)n1 417262032 QPPPLZKTKOEGGW-CYBMUJFWSA-N 269.348 3.607 30 20 CHED N#CC1(CNC2CCC(c3ccc(O)cc3)CC2)CCC1 418139685 IHNDHEYZDWCKSO-UHFFFAOYSA-N 284.403 3.702 30 20 CHED N#CCN(Cc1cccc(C2CC2)c1)C1CCCC1 421320115 OUIMOFPOJPPQTF-UHFFFAOYSA-N 254.377 3.832 30 20 CHED CCC[C@H](C(=O)NCc1ccc(C#N)s1)c1ccccc1 421598609 AXSZRPPRABJPGT-INIZCTEOSA-N 298.411 3.820 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)CCCC2 430753310 IBGHGXQLCFKEAX-AWEZNQCLSA-N 268.404 3.910 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)c(OC)c1 433612234 JUOQWHBPJNIZQK-GFCCVEGCSA-N 294.782 3.921 30 20 CHED CCCCCC(=O)Nc1ccc(OC(C)C)c(C#N)c1 435354883 NMBWZJZBDHKHGV-UHFFFAOYSA-N 274.364 3.864 30 20 CHED CC(C)(C)OC(=O)CCSCc1cc(F)ccc1C#N 440586014 VNHYRWSJPRDNOK-UHFFFAOYSA-N 295.379 3.662 30 20 CHED C[C@@H](CC#N)Nc1ncnc2sc3ccccc3c12 440640317 VYVWZVJSUGVXQQ-VIFPVBQESA-N 268.345 3.559 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCCOc2ccc(Cl)cc2)C1 442780212 MLPOXMXNQPMEFJ-UKRRQHHQSA-N 292.810 3.781 30 20 CHED CSc1ccccc1CN1CCCC(C)(C)[C@@H]1C#N 444739716 VKLBWUVTQFUFEM-HNNXBMFYSA-N 274.433 3.923 30 20 CHED C=CC[C@H]1N(C(=O)NCC2(C)CC2)CCCC1(C)C 445114361 LWUMICHIIQTYOQ-CYBMUJFWSA-N 264.413 3.563 30 20 CHED C=CCCCC[C@@H](C)Nc1cccc(N(C)C(N)=O)c1 449287696 KZKKESIWKZEULM-CYBMUJFWSA-N 275.396 3.748 30 20 CHED C=CCC1(CN[C@H]2CCO[C@@H](C(F)(F)F)C2)CCCC1 449606261 QDDFORLZSRZKPV-QWHCGFSZSA-N 291.357 3.822 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1c1ccc(C#N)nc1 450604107 VPIHPDQYZVVCRN-HBUWYVDXSA-N 277.371 3.724 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 451117173 UQALTMNZNVQADV-JTQLQIEISA-N 275.323 3.961 30 20 CHED C=C(C)CCN[C@@H](C)c1ncc(Br)cc1F 453322407 QUUZTSKTNGRVNP-VIFPVBQESA-N 287.176 3.600 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](C)c1sc(C(C)C)nc1C 453372743 VBSZQUGIZBZFKH-RTXFEEFZSA-N 280.437 3.569 30 20 CHED CC[C@@H](NCC1(COC)CCCC1)c1ccc(C#N)cc1 453375239 IBRFBSFMDYCART-QGZVFWFLSA-N 286.419 3.806 30 20 CHED C[C@@H](NC[C@@H]1CCOC(C)(C)C1)c1ccc(C#N)c(F)c1 453430700 REUFVKIFVUCHPD-CHWSQXEVSA-N 290.382 3.553 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1cnc(C#N)c(Cl)c1 455779601 HTVUJYRTUOGSIW-JTQLQIEISA-N 294.786 3.507 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 456115138 OUYLUZGKQFPABU-UHFFFAOYSA-N 286.375 3.886 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)C1CCC1 457420424 SWOAGIXDKMRATH-LBPRGKRZSA-N 263.406 3.699 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@H](c1ccccc1)C1CCC1 458279739 SEINUGDXUNRUHO-MRXNPFEDSA-N 299.418 3.767 30 20 CHED C=C(CC)CNC(=O)N1[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 459082245 GCSFHQFAXGRUJL-TUAOUCFPSA-N 292.345 3.714 30 20 CHED C[C@H](CCCc1cccnc1)NCc1ccc(C#N)s1 459648453 LDEWFSOTUQRGSH-CYBMUJFWSA-N 285.416 3.516 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 460597078 DFBQOKYQPTVLNJ-DJIMGWMZSA-N 299.414 3.950 30 20 CHED CC(C)O[C@H]1C[C@@H](Nc2ccc(C#N)cc2)C1(C)C 463497708 VYMMPBMKMFDRPJ-CABCVRRESA-N 258.365 3.562 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1ccc(F)cc1C#N 463746452 GNXGUOKDLWPRNF-UHFFFAOYSA-N 277.343 3.597 30 20 CHED C=C[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1CC2 465115705 YLPSHVGTDPRMEK-NSHDSACASA-N 283.396 3.818 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCC[C@H]1CC(C)C 466395126 IVJFIAICIFULIY-CABCVRRESA-N 266.429 3.951 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](C)CCC[C@@H]1C 466402417 WBJMUQUDMCZHTK-IHRRRGAJSA-N 252.402 3.561 30 20 CHED C=CCCN(C)C(=O)CCc1ccc(-c2ccccc2)o1 466636604 UDHHZAFFHPVRJQ-UHFFFAOYSA-N 283.371 3.914 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)c1cccc(OC)c1 468267590 FWANAYFYYFXQNB-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(C#N)c(Cl)c1 469841058 KUULKYZOGJXHCK-MNOVXSKESA-N 276.767 3.976 30 20 CHED C=CCOCCCN1CC[C@H](c2ccccc2)[C@@H](C)C1 470766758 RPTPQRPENBVPEO-WMZOPIPTSA-N 273.420 3.705 30 20 CHED C=CCCCCNC(=O)c1c[nH]cc1-c1cccc(OC)c1 474673728 ACGCMMCGJWFEHH-UHFFFAOYSA-N 298.386 3.776 30 20 CHED Cc1c(CN[C@@H]2CCC[C@H](C#N)C2)n(C)c2ccccc12 475199949 XUOGKLAVJASLSR-LSDHHAIUSA-N 281.403 3.659 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 476055590 YEEYBJVFRSWBIL-PNBKFKSVSA-N 276.424 3.791 30 20 CHED CCCCO[C@@H]1C[C@H](N(C)CCCSCC#N)C1(C)C 477068239 NXPHYRSPIJDRJW-LSDHHAIUSA-N 298.496 3.549 30 20 CHED CCCCC1CCC(NCc2cc(C#N)n(C)c2)CC1 480637165 OKOMFWVBPMKADV-UHFFFAOYSA-N 273.424 3.735 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](CC(C)C)c1ccccc1 484295408 YHYWKESAORGYDP-RDJZCZTQSA-N 286.419 3.824 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)c2ccccc2O1 484729920 RJPSLUBIGACDRA-UHFFFAOYSA-N 284.384 3.797 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)CC1CCCCC1)OCC 487249110 QLHBKMSGVCHXQV-HOCLYGCPSA-N 281.440 3.833 30 20 CHED C=CC1CCN(c2c(C#N)cnc3ccc(C)cc23)CC1 488107237 YGDXKVHEJIAEFY-UHFFFAOYSA-N 277.371 3.817 30 20 CHED C=CC1CCN(C(=O)c2ccccc2NCCCC)CC1 488346552 RHCJWFNCZJCHQM-UHFFFAOYSA-N 286.419 3.937 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)Oc1cccc(C)c1 488879106 JKSANNZRJJFYJR-DOTOQJQBSA-N 287.403 3.720 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OC)c(Cl)c1 489432625 GNXLBCAORBUJKY-CYBMUJFWSA-N 265.784 3.889 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(SC)cc1 489966201 OYXMWTCGCNBNNG-UHFFFAOYSA-N 263.406 3.741 30 20 CHED CCc1ccc(NC(=O)c2cccc(C#N)c2C)cc1F 509285446 LTHZNSIJUBSGIA-UHFFFAOYSA-N 282.318 3.821 30 20 CHED COc1ccc(-c2ccccc2)cc1CN(C)C[C@@H](C)C#N 509824948 BHVIMGGWVUXOBP-HNNXBMFYSA-N 294.398 3.954 30 20 CHED C=CCC[C@H](O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 511843605 KFDUMPMCJTUIIF-WJFTUGDTSA-N 285.431 3.582 30 20 CHED CCC1(C(=O)NCC#Cc2cccc(F)c2)CCCCC1 513201136 FIULUQWMGBHRID-UHFFFAOYSA-N 287.378 3.654 30 20 CHED N#Cc1cncc(N[C@H](c2cccc(F)c2)C2CCCC2)n1 516920101 DCWAHRUEKOUXIX-KRWDZBQOSA-N 296.349 3.831 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c(Cl)c1 518192466 KKNFKMPTRPIIMT-QWHCGFSZSA-N 288.778 3.781 30 20 CHED COc1ccc(C#N)cc1NC(=O)NCCCC(C)(C)C 525343966 JNEWKPWHFCUPTL-UHFFFAOYSA-N 289.379 3.515 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(-c2nc(C)co2)c1 528828036 ZDRGDCJOOSNPMG-UHFFFAOYSA-N 297.358 3.919 30 20 CHED N#Cc1ccc(CNc2cccc3ccncc23)c(F)c1 531776155 RQUPTKOZTRGOQG-UHFFFAOYSA-N 277.302 3.858 30 20 CHED Cc1cn(Cc2cc(-c3ccc(F)cc3)no2)cc1C#N 532767451 XOWBIKJWCLBMGY-UHFFFAOYSA-N 281.290 3.511 30 20 CHED N#Cc1ccc(N2CCC[C@H](c3ccc(F)cc3)CC2)nc1 540871940 BFCKFVWOLYUZAG-HNNXBMFYSA-N 295.361 3.866 30 20 CHED C=CCC[C@@H](C)N[C@H](CO)c1ccc(C(F)(F)F)cc1 544602575 MZMHLNHLIDTWAJ-BXUZGUMPSA-N 287.325 3.683 30 20 CHED C=CCCCc1nc(Cc2cccc(Cl)c2)no1 546967469 ADXZLLKRMVXRRC-UHFFFAOYSA-N 262.740 3.823 30 20 CHED C=CCC(F)(F)c1nc(-c2cccc(F)c2)no1 556272780 JBGRRTRXXSOPQB-UHFFFAOYSA-N 254.211 3.544 30 20 CHED CC1(C#N)CCC(NC2CC(OCc3ccccc3)C2)CC1 560118990 RMFGROIQMMNBHT-UHFFFAOYSA-N 298.430 3.796 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@@H]2CC[C@H](C)C2)cc1 560708978 UPSQLGDDUZDNHT-GOEBONIOSA-N 287.403 3.694 30 20 CHED N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CC2)s1 561494527 YGMVGQYXIIZUOT-MRXNPFEDSA-N 286.375 4.000 30 20 CHED C[C@H](c1noc(-c2ccc(C#N)c(Cl)c2)n1)C1CC1 561902190 DRSNUMKHRZCWFN-QMMMGPOBSA-N 273.723 3.775 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC[C@H]1[C@H](C)CCC 563654785 FQMGTDSLBCFEQY-HIFRSBDPSA-N 288.439 3.747 30 20 CHED N#Cc1ncccc1N[C@@H]1CC[C@H](Cc2ccccc2)C1 567038349 IDRXYELITGSHMP-HZPDHXFCSA-N 277.371 3.777 30 20 CHED C=CCCCCNc1cccc([C@H](C)N2CCOCC2)c1 567073995 OLRWVCZPIJCPFP-INIZCTEOSA-N 288.435 3.848 30 20 CHED CC1(C)CCC[C@@H]1CN[C@@H]1CCc2ccc(C#N)cc21 569950412 OTWIHTGNVHTGAZ-NVXWUHKLSA-N 268.404 3.961 30 20 CHED Cc1ccc(C(=O)C2CCN([C@@H](C)CCC#N)CC2)c(C)c1 571620444 MYQAIWLWAYOGTN-INIZCTEOSA-N 298.430 3.890 30 20 CHED C=CCCCCOc1ccc(C2(NC(C)=O)CC2)cc1 571985777 LAJCWDGMPQYEHV-UHFFFAOYSA-N 273.376 3.547 30 20 CHED C=CCC(C)(C)CNC(=O)CCOc1cccc(Cl)c1 580766148 UIFWUXSRZJIOMO-UHFFFAOYSA-N 295.810 3.827 30 20 CHED CCOc1ccc(-c2nc(CN[C@@H](CC)CC#N)co2)cc1 584477885 AFUBJGKTEXXERJ-AWEZNQCLSA-N 299.374 3.522 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)CCCCCC#N 588156446 MKFLIAMDMAYKST-QGZVFWFLSA-N 286.419 3.988 30 20 CHED N#CCCCCCC(=O)NC1CC(c2ccccc2)C1 588156476 REXVJAKHOLYQCF-UHFFFAOYSA-N 270.376 3.523 30 20 CHED N#CCc1cccc(NC(=O)N2CCC3(CCC3)CC2)c1 590854817 IOVHTRWUSOSBIQ-UHFFFAOYSA-N 283.375 3.551 30 20 CHED Cc1ccc(-c2ccc(CCN(C)C)cc2)c(C#N)c1 592989751 YPDHEUMAFFRCEI-UHFFFAOYSA-N 264.372 3.638 30 20 CHED Cc1cccc(OCCN(C)[C@H](C#N)c2ccccc2)c1 595286152 CXRHZPYKKAYCIM-GOSISDBHSA-N 280.371 3.571 30 20 CHED C[C@H](C#N)N(CCn1ccc2cc(Cl)ccc21)C1CC1 595709996 LLCTXFMRIAPHRI-GFCCVEGCSA-N 287.794 3.671 30 20 CHED CCc1nnc([C@H](C)SCCc2ccc(C#N)cc2)o1 596381208 JFQBRLUCTGYHCO-NSHDSACASA-N 287.388 3.541 30 20 CHED COC1(c2noc(CC3(C#N)CCCCC3)n2)CCCC1 596595945 WORYTWPFCAJSAQ-UHFFFAOYSA-N 289.379 3.502 30 20 CHED N#CC[C@H]1CCCN(Cc2cccc(-c3cccnc3)c2)C1 597173864 MBKCWLJHXNERET-MRXNPFEDSA-N 291.398 3.874 30 20 CHED CCN(C(=O)CC1(C#N)CCCCC1)[C@H](C)C(C)C 597666563 JDBJLRJCMBOVBK-CQSZACIVSA-N 264.413 3.744 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(C1CC1)[C@H](C)C#N 598128326 IJTCQLXQNGBOIB-HIFRSBDPSA-N 276.424 3.886 30 20 CHED CCN(C(=O)CCCCCc1ccc(F)cc1)[C@@H](C)C#N 598362176 ZIGIFEUPCHBKJS-AWEZNQCLSA-N 290.382 3.689 30 20 CHED Cc1ccc(-c2cccc([C@H]3CCCN3)c2)cc1C#N 600793856 PPYGWWMRZLNHQX-GOSISDBHSA-N 262.356 3.958 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC(C1CC1)C1CC1 608724815 ATKFJVIHSLUFCI-UHFFFAOYSA-N 298.430 3.820 30 20 CHED CCC[C@H](C)NC(=O)Nc1ccc(C#N)cc1Cl 610877556 WHXQXUBYPPCPJD-VIFPVBQESA-N 265.744 3.522 30 20 CHED CC[C@H](C)[C@@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 611251416 SOTGBEWAXPLBQT-USXIJHARSA-N 286.419 3.871 30 20 CHED C[C@H](NC[C@H]1Cc2ccccc21)c1ccc(C#N)c(F)c1 611465618 FXEYZXHLQRMWIZ-BLLLJJGKSA-N 280.346 3.688 30 20 CHED C[C@H](CCc1ccccc1)CN1CCC[C@](C)(C#N)C1 612406831 VCZHBYXAADOGSQ-SJLPKXTDSA-N 270.420 3.881 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3cc(F)ccc32)C1 617778299 CMHVRPAAEDFJHS-CXAGYDPISA-N 287.378 3.670 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H]2CCc3ccccc32)C1 617783661 DLWYQWJKJSXNCE-DOTOQJQBSA-N 283.415 3.921 30 20 CHED N#Cc1ccc(CN[C@H]2CCC23CCC3)cc1Cl 619755736 QVMZCGRSGOXXFY-AWEZNQCLSA-N 260.768 3.634 30 20 CHED CC(C)C[C@@H](C)CC(=O)NCc1ccc(C#N)c(Cl)c1 619764805 JMMSCIRBGQBGLK-GFCCVEGCSA-N 292.810 3.900 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc2ccncc12 620864441 DMVZBZAWKMFZRY-UHFFFAOYSA-N 268.360 3.709 30 20 CHED C=CCOc1c(Cl)cc(CNCCC2CC2)cc1OC 623433051 YDOPWLNFNUCDMS-UHFFFAOYSA-N 295.810 3.803 30 20 CHED C=CCC1(C(=O)N(C)CC(O)(CC)CC)CCCCC1 629635369 ZMBNAUVUWULHCF-UHFFFAOYSA-N 281.440 3.523 30 20 CHED C=CCN(CC=C)C(=O)C1CC(c2ccc(F)cc2)C1 644788242 GPWFXTSADNGAOK-UHFFFAOYSA-N 273.351 3.520 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NC1CC2(CCC2)C1 651453315 RWNBKXBYNOETFC-UHFFFAOYSA-N 284.403 3.717 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1conc1C 664014740 DKERYTUOPSAFIE-UHFFFAOYSA-N 273.332 3.608 30 20 CHED C=CCC1(NC(=O)Nc2cccc3c2CCO3)CCCC1 666972947 LNIIYENFNMFXEZ-UHFFFAOYSA-N 286.375 3.632 30 20 CHED C=C[C@H](C)NC(=O)CCc1nc2cc(Cl)ccc2s1 674952235 YKXZFBWCHYTWDK-VIFPVBQESA-N 294.807 3.573 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1ccn(CC)c1)c1ccccc1 682949631 SXRLODOWLODTHK-QGZVFWFLSA-N 296.414 3.826 30 20 CHED C[C@@H](COc1ccccc1)Nc1cccc(F)c1C#N 710978944 GVNVFONBCGHWMG-LBPRGKRZSA-N 270.307 3.577 30 20 CHED Cc1cc(C(=O)O[C@@H](C)C#N)sc1-c1ccc(F)cc1 726655430 ICHRYUZMRFLHDQ-JTQLQIEISA-N 289.331 3.932 30 20 CHED C#CCCOC(=O)[C@@H](SCc1ccccc1)C(C)C 727631065 WYZHRGMBQFRZAT-HNNXBMFYSA-N 276.401 3.511 30 20 CHED N#CCOC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 730346772 WGVKQBBECSROFG-UHFFFAOYSA-N 289.693 3.826 30 20 CHED COc1ccc(CNN=C(c2ccccc2C)C2CC2)cc1 731925492 GWPVANKYZDEMBK-UHFFFAOYSA-N 294.398 3.908 30 20 CHED C#CCN(CCCCCCCO)[C@H]1CCc2ccccc21 744388664 SQQFUNDLHXJMBG-IBGZPJMESA-N 285.431 3.552 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc(C)cc1O 745611695 DIFRTIJDOSPSQW-UHFFFAOYSA-N 298.346 3.520 30 20 CHED O=C1/C(=C2/COc3ccc(F)cc32)CCc2cc(F)ccc21 747439379 DBZGZHSPYYUFMO-PEZBUJJGSA-N 298.288 3.940 30 20 CHED C=CCOCCCC(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 747709053 GGRBMLJLCSLPBX-LBPRGKRZSA-N 295.379 3.559 30 20 CHED CCCC1(C(=O)OCc2ccc(C#N)cc2C)CCC1 748935033 CCIQDFBSLIHSFB-UHFFFAOYSA-N 271.360 3.880 30 20 CHED Cc1cccc2ncc(/C=C\C(=O)c3ccccc3)n12 748998865 ICVQNGCQWVDUOY-KHPPLWFESA-N 262.312 3.539 30 20 CHED CN1CCc2cc(/C=C3\Cc4ccccc4C3=O)ccc21 751525823 KEDJTBIVIYACJA-LFIBNONCSA-N 275.351 3.501 30 20 CHED COc1ccc(CN(C)Cc2cccc(C#N)c2)c(C)c1 752854347 IBQPAEFSUOWHPK-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 753040997 WBDSKUYAOCRYJA-ONGXEEELSA-N 299.201 3.765 30 20 CHED CCCCCCCCCOC(=O)c1ccnnc1C 753523917 GFSFFYSFKSJCIV-UHFFFAOYSA-N 264.369 3.692 30 20 CHED N#Cc1ccc(NN=C[C@H]2CCc3ccccc32)cc1 755652386 YLRDBFLLBNEMFT-OAHLLOKOSA-N 261.328 3.686 30 20 CHED Fc1cc(C=NO[C@H]2CCCCO2)cc(C(F)(F)F)c1 755824265 PHIDUOGYGYOPPG-LBPRGKRZSA-N 291.244 3.722 30 20 CHED CN(C)c1ccc(C=NNCc2cccc(Cl)c2)cc1 756827035 IEQPPQFQEHWCML-UHFFFAOYSA-N 287.794 3.530 30 20 CHED C#CC[C@H](/N=C/c1cc(OC)ccc1O)c1ccccc1 756846541 KKXQKFVJHIJZPU-AMRJIULGSA-N 279.339 3.584 30 20 CHED C#CC[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 756953793 RQPBFDIARMVWOT-MRXNPFEDSA-N 291.310 3.643 30 20 CHED CCC1(C(=O)OCc2cc(C#N)ccc2F)CCCC1 757128100 VFDIKPLEQAWMTF-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2nc(SC)sc2c1 757183749 BAQJPVSICZYXNB-QMMMGPOBSA-N 293.417 3.714 30 20 CHED C=CCC[C@H](C)Nc1ccc(OCC(C)(C)O)cc1 757608811 HWBFBWVNGIUJKH-ZDUSSCGKSA-N 263.381 3.603 30 20 CHED C#CCNC(=S)Nc1cccc(CSC(C)C)c1C 758248128 SHJCUWSWHWGUES-UHFFFAOYSA-N 292.473 3.556 30 20 CHED C=CC[C@@H](NC(=O)N1CC[C@@](C)(CC)C1)c1ccncc1 758779833 OQSZOUSRXMBQDE-NVXWUHKLSA-N 287.407 3.530 30 20 CHED C#CC[C@H](Nc1noc(C(C)(C)C)n1)c1ccccc1 758903962 LICJTSSDGOBOAD-ZDUSSCGKSA-N 269.348 3.544 30 20 CHED COc1ccc(C(C)=NNc2cc(F)cc(OC)c2)cc1 759209700 IDHLKNMCRSDZJS-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)OC1(C#N)CCC1 759425250 KNWUMAAQLHYLHM-FLIBITNWSA-N 275.735 3.733 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CC12CCC2)c1ccc2ccccc2n1 759815908 VBSZOLGIJTWKSC-KGLIPLIRSA-N 276.339 3.601 30 20 CHED CC(=NNc1ncc(F)cn1)C(C)(C)c1ccc(F)cc1 760246767 GLYRRSNPYPIASQ-UHFFFAOYSA-N 290.317 3.520 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C1/CC[C@H](C)C1 762620520 SESWXGSWZONXNW-UROBUVALSA-N 262.397 3.712 30 20 CHED C=CCOc1ccc(COC(=O)C[C@@H]2C=CCC2)cc1 763643303 BTFMFJYDLCXQNB-CQSZACIVSA-N 272.344 3.651 30 20 CHED Cc1cc(C)c(O)c(CN2CCCC(C)(C)[C@H]2C#N)c1 766115372 URYUZKWATACYPB-OAHLLOKOSA-N 272.392 3.523 30 20 CHED C#CCCCN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 766234443 VCQZFQBVJNHZPW-CVEARBPZSA-N 261.796 3.979 30 20 CHED Cc1ccc2ccccc2c1COC(=O)c1cc(C#N)c[nH]1 767367654 LGKPRDNYXCOUOR-UHFFFAOYSA-N 290.322 3.705 30 20 CHED COc1ccc(NN=C(C)C2CCCC2)c([N+](=O)[O-])c1 767801665 QTGRDLYIACJCFY-UHFFFAOYSA-N 277.324 3.581 30 20 CHED N#CC1(COC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)CCC1 768097427 ZIXWTILGOHJYAG-QJRTVWDNSA-N 291.366 3.532 30 20 CHED CCC[C@@H](C)N(C)Cc1ccc(O[C@H](C)C#N)cc1 768337093 ALVSCVJYRZNBCJ-ZIAGYGMSSA-N 260.381 3.598 30 20 CHED C/C(=C\C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)C1CC1 769511128 YNJYHLZIMBIBIB-ACCUITESSA-N 288.435 3.958 30 20 CHED N#C[C@@H](OC(=O)c1coc(C2CCC2)n1)C1CCCCC1 769627577 HYRQLPYRUYIJDS-CQSZACIVSA-N 288.347 3.571 30 20 CHED N#Cc1cc(/C=C2\Cc3c(F)ccc(F)c3C2=O)ccc1F 770575279 QLCVOMGNWSKFII-BJMVGYQFSA-N 299.251 3.798 30 20 CHED C#CCCOc1ccc(CN[C@H](C)c2cnccc2C)cc1 770746790 OPPLYTPMYINCOS-MRXNPFEDSA-N 294.398 3.643 30 20 CHED C[C@H]1CCC[C@H](COC(=O)c2ccc(C#N)s2)C1 771001717 RZQSVTPDQMYMJS-QWRGUYRKSA-N 263.362 3.603 30 20 CHED CC(=NNC[C@H](C)C#N)[C@@H](C)c1nc2ccccc2s1 771099356 PQTSOOUSDXIDMX-GHMZBOCLSA-N 286.404 3.525 30 20 CHED CCC(=NNc1cc(C)nc(C)n1)c1cc(C)ccc1OC 771564528 VZEAVRXDOHKOJX-UHFFFAOYSA-N 298.390 3.637 30 20 CHED Fc1ccc(CNN=Cc2cscc2Cl)cc1F 771877800 ZPXZAHQHTDIJCZ-UHFFFAOYSA-N 286.734 3.803 30 20 CHED C#C[C@@H](C)NC(=O)C(CC)(CC)c1ccc(Cl)cc1 772966450 HOALZYOEGDZTRA-GFCCVEGCSA-N 277.795 3.536 30 20 CHED C#CC[C@@H](N[C@H]1CCc2ccccc2C1)c1ccccc1 773118095 YMQBTUDOHRDNCZ-VQTJNVASSA-N 275.395 3.898 30 20 CHED C#C[C@H](C)N(C)C[C@H](C)c1cccc(Br)c1 775180104 VFVHLQQMPKMFLR-RYUDHWBXSA-N 280.209 3.506 30 20 CHED CC(C)C[C@H](C)CC(=O)OCc1ccc(CC#N)cc1 776114480 NSRCYCZJTWXBCA-AWEZNQCLSA-N 273.376 3.868 30 20 CHED O=C(/C=C/c1cscc1Cl)c1cscn1 776190801 BVWYVRHXQZUGFF-OWOJBTEDSA-N 255.751 3.754 30 20 CHED N#Cc1ccccc1/C=C1/CCc2ccc(F)cc2C1=O 776194009 XLNAOZCIDPGWOX-ZROIWOOFSA-N 277.298 3.910 30 20 CHED Cc1ccc(C=NNc2ccccc2OC(F)(F)F)cn1 777453147 LYXCYUJVEBAXFB-UHFFFAOYSA-N 295.264 3.735 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC=CO1 777839559 OFELIXINZYNPHJ-GFCCVEGCSA-N 297.807 3.609 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 779712507 CIWYBCSBQLPUQY-VGWMRTNUSA-N 261.409 3.511 30 20 CHED CC(=NOCC(F)F)c1cc2ccccc2s1 780241652 SGMGOCQCSYUNDQ-UHFFFAOYSA-N 255.289 3.907 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C\c1ccc(O)cc1 781072417 GOVLBVZTYLASEB-RAXLEYEMSA-N 293.366 3.620 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(F)cc1Cl 781969464 KBPPIUSUDJKHSA-UHFFFAOYSA-N 283.730 3.966 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1cccc(OCCCC#N)c1 782285536 DFEYHQRERZPVBP-QGZVFWFLSA-N 299.418 3.871 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)Cc2ccccc21 782302648 RJTOAPHCZKGZKB-XYOKQWHBSA-N 267.353 3.843 30 20 CHED CCOCCON=Cc1cccc(OCc2ccccc2)c1 782307797 GULHGKBZTHFWBX-UHFFFAOYSA-N 299.370 3.653 30 20 CHED CC(C)(C#N)CCCOC(=O)CCCc1cccs1 782340414 CGJQHWWPBHKEPF-UHFFFAOYSA-N 279.405 3.944 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NOCc2cccnc2)C1 783522496 SJDVLSUOECVCCM-LLVKDONJSA-N 272.270 3.707 30 20 CHED Cc1cccc(C)c1NC(=S)N1CCC[C@](C)(C#N)C1 783772137 BNCQTIKOCSGVDJ-MRXNPFEDSA-N 287.432 3.626 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)c1occc1C 783872671 ISPAYSXBEZSFSZ-UHFFFAOYSA-N 285.343 3.738 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@H](C)CSC 783873243 VKCUNNJGRDMHCH-CQSZACIVSA-N 293.432 3.522 30 20 CHED Clc1cccc(C=NOCC[C@@H]2CCCO2)c1Cl 786738150 HRQKPJRDBYNMMN-NSHDSACASA-N 288.174 3.913 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(Cl)c1O 787330865 FJVUIHGIJBSTEH-MRXNPFEDSA-N 298.773 3.694 30 20 CHED C#CCC1(C(=O)Nc2ccccc2OCC)CCCCC1 788423827 QQGNEOLHMHXYEO-UHFFFAOYSA-N 285.387 3.998 30 20 CHED CCc1cccc(Cl)c1C=NNc1cc(C)nc(C)n1 788711525 AZOMDTPFBPDUCD-UHFFFAOYSA-N 288.782 3.755 30 20 CHED C=CCC[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 790900268 YMYZMAPXSRAAQE-HNNXBMFYSA-N 297.354 3.535 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc(-c2ccco2)cc1F 791059459 AKWFWPMJUZNLKK-UHFFFAOYSA-N 299.345 3.751 30 20 CHED C[C@H](C#N)OC(=O)c1occc1CSc1ccccc1 792737011 CAGPOCRMSDELCJ-LLVKDONJSA-N 287.340 3.641 30 20 CHED CC1(CNN=Cc2ccc3[nH]ccc3c2)CCCC1 793085056 WIUHJDGBLFYHBG-UHFFFAOYSA-N 255.365 3.672 30 20 CHED CC[C@H](C)CON=C1CCC[C@H]1CNC(=O)OC(C)(C)C 793146673 UFDFEZITJFSDAT-STQMWFEESA-N 298.427 3.730 30 20 CHED C=CCN(C(=O)[C@@H](F)CC1CCCCC1)C(C)C 793419302 XETNSFMSZBWCJU-AWEZNQCLSA-N 255.377 3.718 30 20 CHED N#CCN(C(=O)[C@H](F)CC1CCCCC1)C1CCCC1 793538111 FTIJKOLNXVIMQC-OAHLLOKOSA-N 280.387 3.590 30 20 CHED COCC(C)(C)C/N=C\c1c(O)ccc2ccccc12 793657757 XIQQIPRBSPWJNB-ZDLGFXPLSA-N 271.360 3.637 30 20 CHED CCc1cccc(F)c1C=NNc1ccc(C(=O)O)cc1 794447607 ITWLDGMZGZAZBP-UHFFFAOYSA-N 286.306 3.532 30 20 CHED CCCOc1c(C=NOCCSC)cccc1OCC 794575178 YIWCEPDCEWTBJP-UHFFFAOYSA-N 297.420 3.588 30 20 CHED CC1(C)Cc2cccc(/C=C/C(=O)c3ccnc(F)c3)c2O1 794719228 IEHASWHMMXEAJQ-VOTSOKGWSA-N 297.329 3.830 30 20 CHED CCC(=NN(C)CCOC)c1ccc(Cl)cc1Cl 794966683 BGFZNNYOUGPJOK-UHFFFAOYSA-N 289.206 3.686 30 20 CHED N#CC[C@H](CC(=O)OC1CCCCC1)c1ccccc1 796507096 OXNDQPBRYMHHGK-OAHLLOKOSA-N 271.360 3.950 30 20 CHED CN(Cc1ccc(OCC#N)cc1)[C@H]1CCC(C)(C)C1 796529945 DDODBLHAEINAJH-HNNXBMFYSA-N 272.392 3.599 30 20 CHED N#C[C@@H](C(=O)C1CC(c2ccc(F)cc2)C1)c1ccccn1 796748926 SANVAGLTXYNOQP-ZBCRRDGASA-N 294.329 3.591 30 20 CHED CC[C@@H](C)CCC(=O)O[C@H](C)c1ccc(C#N)cc1 797098871 GWNCUEBNPJNHPY-CHWSQXEVSA-N 259.349 3.989 30 20 CHED Cc1oc(C(C)C)nc1C(=O)OCC1(C#N)CCCCC1 797242679 MBYNQUIVPNKPIT-UHFFFAOYSA-N 290.363 3.737 30 20 CHED FC(F)C1CCC(=NNc2cnc3ccccc3n2)CC1 799478665 MUAVVDCSXRNTTR-UHFFFAOYSA-N 290.317 3.853 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Oc1ccc2c(c1)CCC2 799768648 IIGQILMIVKAVDT-PKNBQFBNSA-N 289.334 3.666 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC23CCC3)c1 800481762 ZZZRQIJXHXIFHU-NVXWUHKLSA-N 284.403 3.790 30 20 CHED FCCC[C@@H]1CCCC1=NNc1ccc(F)cn1 800813332 UUUGTHLZAUOBGF-JTQLQIEISA-N 253.296 3.538 30 20 CHED C[C@H](C#N)OCCN[C@H](CC(C)(C)C)c1ccccc1 801937844 XGJVHBHSKFQGMS-GDBMZVCRSA-N 274.408 3.682 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(-c2nccs2)c1 806225267 JFEYNYDHDOXYGX-ZDUSSCGKSA-N 299.399 3.734 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2cc(F)ccc2F)c1 806558619 HTBJPFFLEXHUTL-DAXSKMNVSA-N 288.249 3.559 30 20 CHED C#C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(C)(C)C 807884725 VIUVYCAGILUZDP-QGZVFWFLSA-N 296.414 3.655 30 20 CHED CC[C@@H](OC(=O)c1cccc(C#N)n1)c1ccc(C)cc1 810555476 FINOHCIDXWYGOO-MRXNPFEDSA-N 280.327 3.570 30 20 CHED C#CCC1(OC(=O)c2oc(-c3ccccc3)nc2C)CCC1 810745366 NUQZJXKSSGUQAL-UHFFFAOYSA-N 295.338 3.753 30 20 CHED C=CCCCCOC(=O)Cc1cc(-c2ccccc2)on1 811010082 IQHDYGNIQRHNGH-UHFFFAOYSA-N 285.343 3.784 30 20 CHED N#Cc1cccc(C(=O)OCc2cc3ccccc3s2)n1 811251858 WLRAZCHVHZIPBS-UHFFFAOYSA-N 294.335 3.525 30 20 CHED C=C(Cl)COC(=O)c1c(C)cccc1Br 811271176 BPSNPBTWGTXSNI-UHFFFAOYSA-N 289.556 3.667 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1ccccc1Cl 811669156 WTVVVLCGGYHCDM-ZDUSSCGKSA-N 288.778 3.731 30 20 CHED C#C[C@H](NC(=O)/C=C1/CC[C@@H](C)C1)c1ccc(Cl)cc1 811944823 KRGRHYPTBLIYNA-GKYPAAAISA-N 287.790 3.877 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 812200717 ZPWNAXDPLHGKAC-JKSUJKDBSA-N 298.430 3.550 30 20 CHED CCCOc1ccc2[nH]cc(C=NOC3CCC3)c2c1 812238036 JXZZMVADYYGSPA-UHFFFAOYSA-N 272.348 3.860 30 20 CHED N#CCCCC(=O)OCc1csc(C2CCCC2)n1 812615696 NTZKATXGQKXRBW-UHFFFAOYSA-N 278.377 3.538 30 20 CHED N#CCCCC(=O)Oc1ccc2oc3c(c2c1)CCCC3 812830575 JXZRGLNZCHXCHM-UHFFFAOYSA-N 283.327 3.911 30 20 CHED COc1cc(C=NOCCC2CC2)c(SC)cc1OC 814245357 YDHNBWZYGAFXSL-UHFFFAOYSA-N 295.404 3.576 30 20 CHED CCc1cnc(C=NNc2cc(C)ccc2C)s1 814753734 XIADFLBFMBSFLO-UHFFFAOYSA-N 259.378 3.768 30 20 CHED CSc1ccc(C=Nn2cnc3ccccc32)s1 814778914 CLUQMOXNAMXEKL-UHFFFAOYSA-N 273.386 3.702 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2cccc(C#N)c2)CS1 814787084 VHQAIFJDJGEKIB-AWEZNQCLSA-N 273.405 3.878 30 20 CHED CCC(=NOC1CCCC1)c1ccc(Cl)c(N)c1 814894523 NSQJUWSGJXHKBH-UHFFFAOYSA-N 266.772 3.996 30 20 CHED CC[C@H](C)CON=C1CCC[C@H](CCCC(=O)OC)C1 814939392 OWQPDNALCUAWRM-UONOGXRCSA-N 283.412 3.939 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 815663257 RRZSMEIZAXPFDY-CABCVRRESA-N 293.357 3.725 30 20 CHED N#Cc1ccc(OCC[C@@H]2CC2(Cl)Cl)c(F)c1 818078954 CBNVXXQATIWATI-SECBINFHSA-N 274.122 3.660 30 20 CHED C[C@H](NN=C(CC(C)(C)C)C1CC1)c1ccncc1 819816799 PDJZTCKWJZQRLR-LBPRGKRZSA-N 259.397 3.934 30 20 CHED CC1(C)CC[C@@H](OC(=O)[C@@]2(C#N)CC23CCCC3)C1 820719383 WKGGFEQGOCDZDF-WBMJQRKESA-N 261.365 3.582 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(-c2ccncc2)cs1 828751355 VZMINKJMBXGEFD-LLVKDONJSA-N 287.388 3.746 30 20 CHED CC(C)[C@@H]1CN(c2nc(Cl)c(C#N)s2)[C@@H]1C(C)C 829046237 ALZBYRRSWLXFPL-GXSJLCMTSA-N 283.828 3.785 30 20 CHED CN(Cc1ccc(NCCCC(C)(C)C#N)cc1)C(=O)O 830836551 YQIGZAKIYVEYJH-UHFFFAOYSA-N 289.379 3.538 30 20 CHED Cc1cc(C)nc(NN=C[C@H](C)c2cc(F)cc(F)c2)n1 834911610 DVARKYDFEKMMGL-VIFPVBQESA-N 290.317 3.573 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@@H](C3CC3)C2)cc1F 835009686 AWZBGSCNSHVRIK-LLVKDONJSA-N 290.338 3.892 30 20 CHED CCCCCCCCNC(=O)NCc1cnccc1C 836374029 MHZNVNHZNZOTIA-UHFFFAOYSA-N 277.412 3.550 30 20 CHED C=CCCCCCOC(=O)[C@@]1(C#N)CC12CCCC2 837902579 JFVNIYHJXLYJEC-INIZCTEOSA-N 261.365 3.750 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@]1(C)CC=CCC1 838181724 BYDIPGZHUBJNQP-MRXNPFEDSA-N 263.381 3.996 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2ccncc2)CCCC1 838279720 JVMSIZUSDBFHPB-ZDUSSCGKSA-N 259.349 3.822 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@@H](C2CCC2)C1)c1ccccc1 840332133 JCZVFUZTMVNGGS-QZTJIDSGSA-N 296.414 3.583 30 20 CHED Cc1cc(/C=C2/COc3c(cccc3C(C)C)C2=O)nn1C 840716578 MQPOTKAKJRZADQ-LCYFTJDESA-N 296.370 3.511 30 20 CHED C=CCNC(=N)NCc1ccc(C)cc1Oc1ccccc1 849108688 ZRQNSGBMAQAXLH-UHFFFAOYSA-N 295.386 3.587 30 20 CHED CCCC[C@](C)(F)C(=O)O[C@H](C#N)C1CCCCC1 849846162 JERAFNIEHQZMFH-HIFRSBDPSA-N 269.360 3.920 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)Cc1ccc(C#N)cc1 851206419 RYQNLJWQSBIVRZ-ZIAGYGMSSA-N 298.386 3.608 30 20 CHED COc1ccc(C[C@H](C)C=NOCC2CCC2)cc1F 853439614 NDWMMJCZBFTOSG-LBPRGKRZSA-N 279.355 3.815 30 20 CHED C#Cc1cccnc1N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 853478648 URGUOBLREMUVMY-IAGOWNOFSA-N 296.345 3.534 30 20 CHED C=CCN(CCC1CN(C(=O)OC(C)(C)C)C1)C(C)(C)C 859350011 MUKOPIKFHONDJV-UHFFFAOYSA-N 296.455 3.530 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccccc1OC(F)F 860196963 NKWLGYIPRJGGMC-UHFFFAOYSA-N 297.301 3.661 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccccc1SC 860197900 IZLCIZKIHKCWAL-UHFFFAOYSA-N 277.389 3.782 30 20 CHED CC[C@H](COC(=O)C(C#N)(CC)CC)CC(F)F 860200204 SKANVJIWEFNRBQ-JTQLQIEISA-N 261.312 3.541 30 20 CHED C=C(Cl)CNC(=O)CCc1ccccc1C(F)(F)F 865962124 UZHUMRPNPRYBKP-UHFFFAOYSA-N 291.700 3.507 30 20 CHED CC(C)(CC(=O)Nc1cc(C#N)c(F)cc1F)C1CC1 876348611 NRJDTYCQNZVFIK-UHFFFAOYSA-N 278.302 3.601 30 20 CHED CC(=O)[C@@](C#N)(CCN1CCC[C@H](C)CC1)c1ccccc1 878002067 MCSKQEQHADLNGX-LPHOPBHVSA-N 298.430 3.549 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[C@H](SCC)C1 879169997 NRTKZSYGWARCGC-OLZOCXBDSA-N 269.454 3.721 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1cccc(F)c1F 879352231 ZNBDDIPZYQJEPJ-JTQLQIEISA-N 267.319 3.744 30 20 CHED C=Cc1ccccc1NC(=O)NCC1CCC(C#N)CC1 880206857 LLBZSIHZEVGDHJ-UHFFFAOYSA-N 283.375 3.781 30 20 CHED C=C1CCC(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 889418517 MMKHOILMUXIBQL-KRWDZBQOSA-N 286.419 3.684 30 20 CHED Cc1cc(F)ncc1CN[C@H](CCC#N)c1ccccc1 893195327 XWLDLKZBYIQXHI-MRXNPFEDSA-N 283.350 3.664 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(CN(CC)CC)cs1 898313137 SUVPOMJIDULKQQ-UHFFFAOYSA-N 295.452 3.526 30 20 CHED O=C(c1ccsc1)N(O)Cc1cccc2ccccc12 900091827 PCIZGBDWIQEZES-UHFFFAOYSA-N 283.352 3.933 30 20 CHED CCn1nc(C)c(C=NNc2ccc(Cl)cc2F)c1C 901316769 BUHHLVKERXFSGV-UHFFFAOYSA-N 294.761 3.758 30 20 CHED C[C@@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)C1CC1 901378078 HPTRYIHVIDIKIA-MRVPVSSYSA-N 288.174 3.757 30 20 CHED C=CCCCC[C@@H](C)NCCc1ccccc1C(=O)O 905762633 WDOGUWBZIVTEPW-CQSZACIVSA-N 275.392 3.652 30 20 CHED CC(C)(C)c1cnc(NC(=O)c2ccsc2C#N)s1 906839131 ZHNQKHRYUGIZNZ-UHFFFAOYSA-N 291.401 3.626 30 20 CHED C[C@@H](C(=O)OCCCCC1(C#N)CCC1)C(C)(F)F 909349887 HUGVNOPAOPBBAZ-NSHDSACASA-N 273.323 3.685 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cn1)c1cc2ccccc2o1 915968757 GLEQCEDKSNHDEW-UHFFFAOYSA-N 296.286 3.572 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc(C#N)cc1)C2=O 921264419 STLQGQBDBDSJJD-CXUHLZMHSA-N 259.308 3.689 30 20 CHED O=C1/C(=C/c2c(F)cccc2F)COc2c(F)cccc21 921265893 FVMYVLWJUVGWGJ-VQHVLOKHSA-N 290.240 3.763 30 20 CHED CC(C)[C@@H](CC(F)(F)F)N[C@H](C)CC(C)(C)C#N 926238988 ZJRGLJBMLYDFJH-GHMZBOCLSA-N 264.335 3.881 30 20 CHED N#C[C@H]1CCCN([C@@H]2CCc3cc(Cl)ccc32)C1 932155213 ZFTDUQLKZZJXDI-IAQYHMDHSA-N 260.768 3.563 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCCc2sccc2C1 932220395 MLZAMHAVBZVLJS-UHFFFAOYSA-N 296.395 3.517 30 20 CHED CSc1ccccc1C(C)=NNc1cccc(F)n1 1117102912 POMIUOAVCRWGRR-UHFFFAOYSA-N 275.352 3.779 30 20 CHED C=C1CC(c2noc([C@@H](C)c3ccc(F)c(F)c3)n2)C1 1119455162 SFSNWIFHHTVCGN-VIFPVBQESA-N 276.286 3.933 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(C#N)c1 1125865815 JBGPWINLBUXFRF-PBHICJAKSA-N 284.403 3.955 30 20 CHED CSc1cc(C)ccc1NC(=O)c1csc(C#N)c1 1129802548 JXWZOIRWWYXYDT-UHFFFAOYSA-N 288.397 3.902 30 20 CHED CC(C)C[C@H]1CCCN(c2cccc(F)c2C#N)C1 1162799795 KYFLRONWTBOWPM-CYBMUJFWSA-N 260.356 3.960 30 20 CHED CC(C)(C)CCCN1CCCN(c2ccccc2C#N)CC1 1167318874 WQUNXQWUQDIXCD-UHFFFAOYSA-N 299.462 3.897 30 20 CHED Cc1ccc(CSc2cc(C#N)ccn2)c(C)c1 1188627208 HIJUZKQXWHCPDL-UHFFFAOYSA-N 254.358 3.862 30 20 CHED COC(=O)c1cccc(C=NNc2ccc(Cl)cc2)c1 1252945499 YGUFANZXRXQYRQ-UHFFFAOYSA-N 288.734 3.573 30 20 CHED C=CCn1c(C)nnc1S[C@H]1CCc2c(F)cccc21 1318969719 SZWOUCUYALCDID-AWEZNQCLSA-N 289.379 3.691 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNCc2ccc(F)cc2)o1 1319193170 WUUUGKRKRDETHU-ABAIWWIYSA-N 272.323 3.666 30 20 CHED Cc1ccccc1C=NOCc1ncoc1C(C)C 1320526414 WRNYGUVYOWYUOA-UHFFFAOYSA-N 258.321 3.657 30 20 CHED C=CC(C)(C)CNC(=O)C1(c2cccc(C)c2)CCC1 1325293305 YFWBHMGAOXGQIV-UHFFFAOYSA-N 271.404 3.745 30 20 CHED C#CCN(CC1CC1)C(=O)CCCc1ccccc1Cl 1325913109 DXGCOFZULUHTGL-UHFFFAOYSA-N 289.806 3.535 30 20 CHED N#CCCCCCC(=O)NCCc1c(F)cccc1Cl 1326800989 KRIMHQKXTVWSBT-UHFFFAOYSA-N 296.773 3.612 30 20 CHED CC[C@@H](c1ccccc1)c1nnc([C@@](C)(C#N)CC)o1 1327042860 SKBUGWQLCYTXJF-XJKSGUPXSA-N 269.348 3.803 30 20 CHED C[C@@H]1CC[C@H](C=NNc2ccc(C(C)(C)C)nn2)C1 1327101248 IBYWWBOIPBREAI-NEPJUHHUSA-N 260.385 3.608 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCCCCCCC1 1331155878 BETODSJUUXSJCZ-UHFFFAOYSA-N 270.376 3.663 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1ccc(C)o1)C1CC1 1333668451 MRMMZMRICJHBGF-ZDUSSCGKSA-N 261.365 3.681 30 20 CHED C=C(C)CCC(=O)NCc1cccc(CN(CC)CC)c1 1335723575 AGURPCHTYYKERW-UHFFFAOYSA-N 288.435 3.501 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1ccccc1OC(F)F 1336193586 PDMVGHJALLUNAO-LLVKDONJSA-N 283.318 3.822 30 20 CHED C=C(C)CCC(=O)NC1CCC(N2CCC(C)CC2)CC1 1337149528 ZSKFZUMMTRPPAX-UHFFFAOYSA-N 292.467 3.502 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc(-c2ccccc2)ccn1 1340893521 PDCQCTKDELUKQK-INIZCTEOSA-N 293.370 3.513 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2cccc(F)n2)cc1Cl 1344006423 KBHNWDUSBBKHAE-NSHDSACASA-N 288.709 3.673 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H](CC(F)(F)F)C1 1353714707 OLLBXVGJNPIFOO-NSHDSACASA-N 263.303 3.534 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccn(C2CCCC2)n1 1353905405 PWEDDNUFWXHXGX-CQSZACIVSA-N 287.407 3.569 30 20 CHED CSCCCCc1noc(-c2cccc(C#N)c2C)n1 1353942900 JMYHDDRGBSFIHE-UHFFFAOYSA-N 287.388 3.602 30 20 CHED CCC[C@H](Cc1ccccc1)NC(=O)c1ccsc1C#N 1359849193 RPRJWAPMIJHUGW-CQSZACIVSA-N 298.411 3.761 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2ccccc2CC#N)cc1 1441118862 VAXFBZJOVPQXSP-CQSZACIVSA-N 278.355 3.552 30 20 CHED C[C@H](NC(=O)NC[C@@H]1CCCC1(C)C)c1cccc(C#N)c1 1470277010 MJEGRDCQKAGJOD-BBRMVZONSA-N 299.418 3.745 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C1 1516820042 LWDLIOWOTMQNNS-XLNGHYISSA-N 283.371 3.806 30 20 CHED C=C[C@H](C(=O)NC[C@H]1CCCC1(F)F)c1ccccc1 1521646644 QVOATPSVDOWPJS-KGLIPLIRSA-N 279.330 3.508 30 20 CHED Cc1cccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1F 1526882111 QLAXJPJMVVDGBY-CYBMUJFWSA-N 296.345 3.823 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2F)CC1 1528047266 GHBFWSKEMOABAW-AULYBMBSSA-N 274.339 3.852 30 20 CHED C#Cc1cccc(N(CCCC(=O)O)Cc2ccccc2)c1 1573313489 JRTRKXNMHDSYSL-UHFFFAOYSA-N 293.366 3.539 30 20 CHED C=C(C)Cc1cccc(C(=O)O)c1OCC1(C#N)CCC1 1588576977 JJMVYXNUZFFRBF-UHFFFAOYSA-N 285.343 3.576 30 20 CHED Cc1cc(C)cc(CCC(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 1596978888 QQYVFPOHUQBQKR-DLBZAZTESA-N 285.387 3.862 30 20 CHED N#CCCC[C@@H](NCc1cc(C(=O)O)co1)c1ccccc1 1601065956 AUVURYWZJCGNAD-MRXNPFEDSA-N 298.342 3.503 30 20 CHED N#Cc1ccc(SCc2ccccc2C(=O)O)c(F)c1 1601114943 ZNNMKUDFCGQCQS-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C=C(CCC(=O)O)C(=O)Nc1ccc(CCCCC)cc1 1602785911 PKMLWHSFTUGEDX-UHFFFAOYSA-N 289.375 3.779 30 20 CHED C=CCC1(NCc2cc(C(=O)O)cs2)CCCCC1 1602851721 WWZLTWMQZHUFRV-UHFFFAOYSA-N 279.405 3.815 30 20 CHED N#Cc1nc(SCc2ccco2)sc1Cl 1611725023 KZWPRJYIIIVXFT-UHFFFAOYSA-N 256.739 3.553 30 20 CHED Cc1cc(Sc2snc(Cl)c2C#N)ccc1C#N 1651169274 UCGDCCNKRRETLG-UHFFFAOYSA-N 291.788 3.999 30 20 CHED CCCCc1cc(Oc2ccc(C#N)cc2C)ncn1 1655072448 NKSAFJYNQUFSBA-UHFFFAOYSA-N 267.332 3.792 30 20 CHED Cc1[nH]nc(NCc2c(Cl)cccc2Cl)c1C#N 1656386802 IBGQKABSYSRXAD-UHFFFAOYSA-N 281.146 3.509 30 20 CHED CC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 1657519764 CWILHYVMZVQOIA-VBNZEHGJSA-N 260.356 3.949 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(F)cc1C#N 1659657183 ATFJWYUQJMFTNC-CQSZACIVSA-N 289.354 3.788 30 20 CHED N#Cc1c[nH]nc1NCc1ccc(-c2ccccc2)s1 1662414318 RTQBNLHCAKWTJW-UHFFFAOYSA-N 280.356 3.622 30 20 CHED CC(CCC(C)(C)C)=NNc1ccccc1C(=O)O 1776030460 CDHGBPBNCJVZEK-UHFFFAOYSA-N 262.353 3.999 30 20 CHED COc1ccc(C(=O)O)cc1C=NO[C@H](C)c1ccccc1 1776083335 YPYGADYAWLRWOI-GFCCVEGCSA-N 299.326 3.505 30 20 CHED C=CCC[C@H](Nc1cc(C(=O)O)ccn1)c1ccccc1 1776167912 YXOFGGHEICFOHO-HNNXBMFYSA-N 282.343 3.899 30 20 CHED C=CCCCCCN1C[C@@H](C(=O)O)Cc2cc(F)ccc21 1776173066 QLOCQJFZEDMFIQ-AWEZNQCLSA-N 291.366 3.635 30 20 CHED C=CCN(CCC)[C@H](C(=O)O)c1cccc2ccccc12 1776179802 JWVJVFXTWIAUPS-KRWDZBQOSA-N 283.371 3.864 30 20 CHED C=Cc1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2O)cc1 1776194504 OMXONMBDHCOINR-JXMROGBWSA-N 294.306 3.630 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)nn2C(CC)CC)c1 179659541 LUADUMYLJGFQSL-UHFFFAOYSA-N 295.386 3.786 30 20 CHED N#Cc1ccccc1COc1ccc(N2CCCC2)cc1 178192942 WPVNAAQZKLXMPW-UHFFFAOYSA-N 278.355 3.737 30 20 CHED C[C@H]1Cc2ccccc2N1c1ccc(C#N)cc1[N+](=O)[O-] 104946868 KHHFPMFJPCIKEM-NSHDSACASA-N 279.299 3.549 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)[C@@H](C)c1ccccc1 177200237 MODLZBPJSCOHRK-CABCVRRESA-N 284.403 3.769 30 20 CHED CCCCCCCCC(=O)NCc1cccc(OC)c1O 105651913 ISKAQYQJCYUTLS-UHFFFAOYSA-N 293.407 3.768 30 20 CHED COc1ccc(CN(CCCCC#N)[C@@H](C)C2CC2)cc1 57620170 SDACVPLREOSDFM-HNNXBMFYSA-N 286.419 3.990 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2c2ccc(Cl)cc2)cn1 176771125 UKLDRFKSEYALJE-MRXNPFEDSA-N 283.762 3.948 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1cccc(C#N)n1)CCC2 179236760 IOXFSCPDWSKZCC-MRXNPFEDSA-N 263.344 3.751 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)/C=C/c2ccc(Cl)cc2)C1 178791793 XTFCBWPPPRPWRS-BILJCIPTSA-N 275.735 3.589 30 20 CHED C#CCCCCC(=O)Oc1cccc(Br)c1 119513658 LINKGYVCYMNGCR-UHFFFAOYSA-N 281.149 3.548 30 20 CHED CCc1ccc(-c2nc(CN(CC)CC#N)cs2)cc1 68958536 NEOFPZLQCMHASB-UHFFFAOYSA-N 285.416 3.718 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc(Cl)s1 175454578 SDLCVXQCRAOPNG-UHFFFAOYSA-N 285.844 3.948 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)NCCCCC#N 172004166 DLTIRMYJFILNFS-HNNXBMFYSA-N 264.413 3.793 30 20 CHED N#Cc1cccc(Cl)c1N1CCOCC2(CCCC2)C1 302479360 XUTYRHYQPSBZOL-UHFFFAOYSA-N 290.794 3.609 30 20 CHED Cc1ccc(Sc2cccc(C#N)c2)c([N+](=O)[O-])c1 301834421 VQSKTHNTYQJPRQ-UHFFFAOYSA-N 270.313 3.926 30 20 CHED N#Cc1ccc(CC(=O)N2CCCC3(CCCCC3)C2)cc1 171890065 RRLJMFLLKHDJIV-UHFFFAOYSA-N 296.414 3.674 30 20 CHED C=CCN1CCC(N[C@@H]2CCCCc3ccccc32)CC1 177911626 HRXXGPNXPJXYLP-LJQANCHMSA-N 284.447 3.694 30 20 CHED O=C1/C(=C\c2ccccc2)Oc2c(Cl)cccc21 62723319 SXBALPBOXUPACW-UKTHLTGXSA-N 256.688 3.956 30 20 CHED C=CCN(Cc1cccs1)Cc1cccc2cn[nH]c12 119934085 LHZWJQWHLTZUBB-UHFFFAOYSA-N 283.400 3.813 30 20 CHED C=C(C)COc1cccc(NC(=O)C2[C@H]3CCC[C@H]23)c1 178192287 KPTPYIIKVGUXHM-GJZGRUSLSA-N 271.360 3.626 30 20 CHED CC(C)CCN(CCC#N)C(=O)Nc1ccc(F)cc1F 176335642 ZHDSKFRUELLMAF-UHFFFAOYSA-N 295.333 3.758 30 20 CHED C[C@H]1CCCCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C 171136954 VQMIMSIDCQALDX-LBPRGKRZSA-N 288.395 3.521 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 174098320 INWZCKUBVMFMAJ-SECBINFHSA-N 297.280 3.663 30 20 CHED N#Cc1ccc(OCCn2cc(-c3ccccc3)cn2)cc1 67711830 WJZGFISOYUFIFB-UHFFFAOYSA-N 289.338 3.501 30 20 CHED C[C@@H](CC(=O)[C@H](C#N)c1ccccn1)c1ccccc1F 170672525 YZNQGFOFCSOXMW-GXTWGEPZSA-N 282.318 3.591 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)cc1OCC1CC1 120197239 ZLBUFZXOPFVMQV-UHFFFAOYSA-N 289.350 3.747 30 20 CHED CCN(CCC#N)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 127624821 UWWWGEMRTPPDME-UHFFFAOYSA-N 299.330 3.590 30 20 CHED CC(C)(CO)[C@H](CNc1ccc(C#N)cc1)c1ccccc1 120812776 ZVMZOCFIAXTEOZ-GOSISDBHSA-N 294.398 3.772 30 20 CHED COc1ccc([C@@H]2CCN(c3cccc(F)c3C#N)C2)cc1 301125993 OHWMWZNSMOGLLL-CQSZACIVSA-N 296.345 3.700 30 20 CHED C[C@@H](Nc1nccnc1C#N)c1ccc(C(F)(F)F)cc1 301170555 JVNOIDMWGIVFLM-SECBINFHSA-N 292.264 3.540 30 20 CHED C[C@H](N[C@H](C)c1nc(C(C)(C)C)no1)c1ccc(C#N)cc1 127506299 XGQYOWJSCZYPRN-NWDGAFQWSA-N 298.390 3.651 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2cccc(Cl)c2)s1 213227563 JJOOJVSTSHASTQ-PLNGDYQASA-N 292.743 3.996 30 20 CHED C=CCC[C@@H](O)CN(CC)[C@@H](C)c1ccc(F)cc1 123172649 WCZPNZIAHPFHEG-XJKSGUPXSA-N 265.372 3.536 30 20 CHED C#CCCCCNC(=O)N1CCC[C@]1(C)Cc1ccccc1 185070906 RPYRSKNUPSIZEZ-LJQANCHMSA-N 298.430 3.597 30 20 CHED CC#CCCCC(=O)Nc1ccc(OCCC)cc1 185979822 KNISIBAZXRYSMH-UHFFFAOYSA-N 259.349 3.608 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C)cc1OC 125419621 UDYLSATVTBMJPF-UHFFFAOYSA-N 259.349 3.711 30 20 CHED C[C@@H]1CCC[C@H]1NCc1ccccc1C(C)(C)C#N 501923858 SZECMCQDEGOPNC-CZUORRHYSA-N 256.393 3.766 30 20 CHED C=CC[C@@H](C)NCc1ccc(Cl)c2cccnc12 125415890 CIPNMXYIGLKPIQ-LLVKDONJSA-N 260.768 3.942 30 20 CHED COc1ccc(Cl)cc1[C@@H](CC(C)C)NCCC#N 411469257 LNHSLTKEAPNLEX-CQSZACIVSA-N 280.799 3.939 30 20 CHED C=CCN(C)Cc1cc(Br)cc2cccnc12 121280429 YXIVPTKLLONOCZ-UHFFFAOYSA-N 291.192 3.615 30 20 CHED Cc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1 187222476 NAQRHYSGGAPHJY-ZSOIEALJSA-N 250.297 3.523 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N(C)CCOc1ccccc1 122882643 PWPWILWAUSWZAF-HNNXBMFYSA-N 280.371 3.630 30 20 CHED C=CCOc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 181736273 STRGQOWXVMJOHS-HNNXBMFYSA-N 292.382 3.974 30 20 CHED N#CC1(CCOc2cccc3c2OCCO3)CCCCC1 418938956 FIMRXZRVJKIVIM-UHFFFAOYSA-N 287.359 3.701 30 20 CHED C=C[C@H](CC(=O)Nc1cccc2cn[nH]c12)c1ccccc1 128441910 SMUPFJREWQBLHW-CYBMUJFWSA-N 291.354 3.861 30 20 CHED C=C[C@H](CC)OC(=O)c1cccc(NC(=O)c2ccco2)c1 181243847 XSVXKMPWKJCARQ-CQSZACIVSA-N 299.326 3.653 30 20 CHED C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1cccc(C#N)c1 502504915 ANPYISXZKOUZDJ-NILFDRSVSA-N 294.345 3.759 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C\c1cccc(O)c1 213112079 FGQYAIOZAYRDHC-ALCCZGGFSA-N 288.730 3.950 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 189578609 CKHZUKTVGYJZKO-SJORKVTESA-N 283.415 3.564 30 20 CHED Cc1oncc1CSc1ccc(C#N)cc1Cl 181767937 JOCACSLHIKACRD-UHFFFAOYSA-N 264.737 3.800 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(COc2ccccc2)cc1 181166162 NIURPNHHIZWUBY-UHFFFAOYSA-N 294.354 3.754 30 20 CHED C=CCOc1ccccc1C(=O)N(C)Cc1ccsc1 45054227 OUEYBOIIAQYGJE-UHFFFAOYSA-N 287.384 3.585 30 20 CHED C=CCOCCCC(=O)Nc1cccc2ccccc12 79348200 IFEBLCVYRBISHQ-UHFFFAOYSA-N 269.344 3.761 30 20 CHED N#Cc1ccc(NCCc2cc3ccccc3[nH]2)cc1 135512488 GNHZUOMZNSXBNL-UHFFFAOYSA-N 261.328 3.694 30 20 CHED C=C[C@H](C)N[C@@H](CC)c1cc(Br)ccc1O 139191934 VGGUKQKLGRRYIB-CABZTGNLSA-N 284.197 3.770 30 20 CHED N#Cc1cccc(NCCC(F)(F)F)c1Br 417063505 FQRMRIIIYLIFHS-UHFFFAOYSA-N 293.086 3.685 30 20 CHED C#C[C@H](NC1CC(c2ccc(Cl)cc2)C1)C(C)C 380664407 WLDFDKFIKHQMQN-BCLQGDPASA-N 261.796 3.833 30 20 CHED CC[C@H](C)CCC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416092445 BSBWFRRWYVHCMH-SUMWQHHRSA-N 284.403 3.878 30 20 CHED CO[C@H]1Cc2ccccc2N([C@@H](C)c2cccc(C#N)c2)C1 502507221 IHIDDCDWPMRZKQ-KSSFIOAISA-N 292.382 3.697 30 20 CHED C=C[C@H](CC(=O)N1CCS[C@@H](C)[C@H]1C)c1ccccc1 135173342 MSSCYEHBEIHRHJ-QLFBSQMISA-N 289.444 3.699 30 20 CHED CSc1cncc(N[C@H]2CCCc3cc(C#N)ccc32)n1 419014557 KRDMKRZWCHAPNA-AWEZNQCLSA-N 296.399 3.560 30 20 CHED Cc1nc([C@H](C)/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)n[nH]1 329187532 GWHKTPGASYZDQN-SCUASFONSA-N 290.411 3.737 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Br)cs1 381291249 DFDUNFVPGNHLGZ-ATZCPNFKSA-N 299.237 3.853 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(SC)nc1 130093113 LFURBTMCADRCIF-UHFFFAOYSA-N 262.378 3.510 30 20 CHED CCN(C(=O)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 45498941 ADPVIRAYYHOUSC-ZDUSSCGKSA-N 296.345 3.921 30 20 CHED Cc1nc(SCc2cc(C#N)ccc2F)oc1C 47559000 KQGHOEVKCQMTAU-UHFFFAOYSA-N 262.309 3.595 30 20 CHED C=CCC[C@@H](NCCc1nnc(C(C)C)s1)C1CC1 426291693 SGUOTBPBXMDBHX-CYBMUJFWSA-N 279.453 3.538 30 20 CHED C[C@H](c1ccccc1F)S(=O)(=O)CCCC(C)(C)C#N 83025849 MUNWPVPAICIVPM-GFCCVEGCSA-N 297.395 3.631 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCSc3ccc(F)cc32)C1 424328014 NPNOZHRFZBCGFX-SUHUHFCYSA-N 276.380 3.644 30 20 CHED CC(=O)Nc1cccc([C@@H](C)NCC(C)(C)CCC#N)c1 229672122 SUKXRXZZYXDGNQ-CYBMUJFWSA-N 287.407 3.626 30 20 CHED Cc1ccccc1C(C)(C)C(=O)NCc1ccc(C#N)s1 421598586 AVXODOLDAMNXSE-UHFFFAOYSA-N 298.411 3.522 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)CCC 45603613 YDJLKMONGRVHTG-UHFFFAOYSA-N 257.786 3.716 30 20 CHED COc1nn(C)cc1N=C(O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329092483 JWWOZZCDBFXBQE-RWMBFGLXSA-N 291.395 3.623 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 84697148 HDHHHWYDVOEUBT-GMTAPVOTSA-N 298.169 3.942 30 20 CHED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(O)cc1 49371771 MNOICKPISJRHMB-LREOWRDNSA-N 274.703 3.647 30 20 CHED C=CC1CCN(C(=O)c2cc(Cl)ccc2NCC)CC1 192318192 QSTLNRFLABLDIO-UHFFFAOYSA-N 292.810 3.810 30 20 CHED CC1(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1 428803529 LNSZXCZRJRYJRE-LLVKDONJSA-N 297.185 3.864 30 20 CHED C=CCSCCNC(=O)Nc1cccc2ccccc12 194553962 PNTJGUBUWCERMT-UHFFFAOYSA-N 286.400 3.881 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCc3sccc32)CCC1 190313030 ODMSWAWNVTYINQ-CYBMUJFWSA-N 275.417 3.988 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C2CC2)c1 424334989 WAQOKMXEYYBBPB-IIYDPXPESA-N 254.377 3.907 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](CC)CCC 194623210 HOGBMRCIOJTMOX-QGZVFWFLSA-N 299.418 3.835 30 20 CHED C=CCOCCCN1CC[C@H]1c1ccc(Cl)cc1 511625089 QHSLCEOWCYPDSU-HNNXBMFYSA-N 265.784 3.680 30 20 CHED Cc1cc(C)c(NC(=O)N(C)CC(C)(C)C#N)c(C)c1 336135778 GMEQGBDYGUWPPS-UHFFFAOYSA-N 273.380 3.625 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccnc(SCC)c1 427889036 ZJRUIEYJRVBFEV-QWHCGFSZSA-N 264.438 3.884 30 20 CHED C#CCN(C)C(=O)c1ccccc1Sc1ccccc1 191052845 JRBRLPAQTGBEAI-UHFFFAOYSA-N 281.380 3.543 30 20 CHED C=C(C)C(C)(C)c1nc(C(CC)(CC)OC)no1 424362148 NBAHVOJCYQMSTG-UHFFFAOYSA-N 252.358 3.585 30 20 CHED Cc1cc(F)ccc1NC(=O)c1cccc(C#N)c1C 337777662 YNNBBDSLELJNCP-UHFFFAOYSA-N 268.291 3.567 30 20 CHED N#Cc1ccc(=NCC2CCC(c3ccccc3)CC2)[nH]c1 517456732 YZBXDNHIIVUHPB-UHFFFAOYSA-N 291.398 3.761 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)C[C@@H](C1CC1)CC2=O 333170155 NOFOBHXZLKZONG-CYBMUJFWSA-N 276.339 3.570 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(OC)c(Cl)c1 424736111 MDDFTODOTSWCRE-UHFFFAOYSA-N 281.783 3.567 30 20 CHED CC[C@@H](CC#N)/N=C(/O)N1CCC(Cc2ccccc2)CC1 331135466 PWCRDRSDRYIFMM-KRWDZBQOSA-N 299.418 3.547 30 20 CHED N#Cc1ccc(C(=O)Nc2c(F)cc(Cl)cc2F)cc1 180353583 BIIVJADJEXSQNE-UHFFFAOYSA-N 292.672 3.742 30 20 CHED COc1ccc(C(=O)/C=C/c2ccccc2F)c(F)c1 98068769 VJTOBEOLKXNRIF-RMKNXTFCSA-N 274.266 3.870 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCO[C@H]1C1CC1 230308286 KVCDBBZWUCITIR-KGLIPLIRSA-N 296.292 3.556 30 20 CHED C[C@@H](c1ccccn1)N(C)c1ccc(C#N)c(Cl)c1 91475658 POBPZLHDHWWVJV-NSHDSACASA-N 271.751 3.804 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3(C#N)CC(C)C3)C2)cc1 518048550 WGHCYURODYHQBE-QXCFYTAISA-N 296.414 3.639 30 20 CHED COc1cc(NC(=O)c2ccc(C#N)s2)ccc1Cl 334556377 YPUWNZHWHJSHOK-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1c(F)cc(F)cc1F 335862371 CJGMMNHHYJJBDS-JTQLQIEISA-N 284.281 3.676 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCC[C@@H]1CC 436279370 ARLWOQCAVREXDM-FZKCQIBNSA-N 251.414 3.526 30 20 CHED C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1C 437573444 BISPHGWJLWXNNI-QWHCGFSZSA-N 297.320 3.667 30 20 CHED Cc1ccc(C(=O)/C=C\c2cccc3c2OCO3)cc1 98008527 XAXTVZGVYCSIGN-KTKRTIGZSA-N 266.296 3.620 30 20 CHED C=CCCOCCN[C@@H]1CCCCC12CCCC2 386602680 ICUALQVGEYZBJH-OAHLLOKOSA-N 251.414 3.672 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cc2c(C)cc(C)cc2[nH]1 435731184 JXLJBFYJIBAWIJ-HNAYVOBHSA-N 298.430 3.856 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C1CCCC1)C(F)(F)F 439379687 LLZCERSYXKKILC-VXGBXAGGSA-N 292.345 3.761 30 20 CHED CN(Cc1ccc(CC#N)cc1)Cc1ccc(F)cc1F 342690768 GSTGWLBRPQHOJV-UHFFFAOYSA-N 286.325 3.663 30 20 CHED C=CCCCC(=O)NCC(C)(C)c1ccc(CC)cc1 430555907 JOOOAYILWPBSQF-UHFFFAOYSA-N 273.420 3.999 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2occc2s1 609856897 BCGXDMVEPVJHBB-UHFFFAOYSA-N 282.324 3.927 30 20 CHED C=CCc1cc(/C=C/c2ncccc2C#N)cc(OC)c1O 436934464 SSVHJFZPGLLODX-BQYQJAHWSA-N 292.338 3.566 30 20 CHED Cc1ccccc1C(C)(C)CNC[C@@H](C)CCC#N 602532237 JFXQRVVYWYWIPC-AWEZNQCLSA-N 258.409 3.802 30 20 CHED C=CCOc1cccnc1-c1nc(-c2cccc(F)c2)no1 340801449 OVFYXIBMQSVZDP-UHFFFAOYSA-N 297.289 3.503 30 20 CHED C[C@H]1CC[C@@H](N(C)Cc2cccc(OCCCC#N)c2)C1 433048643 XWJMXIWRNFXLKP-DOTOQJQBSA-N 286.419 3.990 30 20 CHED C[C@H](CCC#N)CNCc1ccccc1C(F)(F)F 602523917 IGYBVTYKAJIUAU-LLVKDONJSA-N 270.298 3.735 30 20 CHED C=CCC[C@H](NC(=O)Nc1ncc(C)o1)c1ccccc1 435617711 NZXPENWYKJSAKJ-AWEZNQCLSA-N 285.347 3.812 30 20 CHED C=C(CN[C@H]1CCCc2scnc21)c1ccccc1 623877990 ULASQYOEKNOFTG-AWEZNQCLSA-N 270.401 3.824 30 20 CHED CCN(C(=O)C[C@@H](C)c1ccco1)c1ccc(C#N)cc1 602275602 JFKZEKIPMZHJEE-CYBMUJFWSA-N 282.343 3.698 30 20 CHED Cc1cccc(NC(=O)[C@H](C)Oc2ccc(C#N)c(C)c2)c1 434739094 QWKHVWMSOGTCGQ-AWEZNQCLSA-N 294.354 3.581 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H](C)c1ccco1 602284078 YXKJPLPIEDWDKK-ZDUSSCGKSA-N 276.380 3.752 30 20 CHED CN(C)Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1Cl 442873350 OTQBHRSUKREADM-DGCLKSJQSA-N 277.799 3.506 30 20 CHED CCOc1cccc(C=Nc2ccccc2F)c1O 254409736 RIWGCNDRBMYWGW-UHFFFAOYSA-N 259.280 3.681 30 20 CHED COc1ccc([C@H](NC2CCC(C)(C#N)CC2)C2CC2)cn1 528043712 RMAGJYKALZMQDG-IIIMJFFVSA-N 299.418 3.603 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)s2)c(O)c1 255606127 ZQHIUNRNYYTKDS-ALCCZGGFSA-N 269.325 3.530 30 20 CHED C=CC1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 352685978 KZWPSAJRGOKDQE-UHFFFAOYSA-N 267.372 3.684 30 20 CHED Cc1ccccc1C1(CNC[C@@H](C)CCC#N)CC1 602530936 SSHFEOZYBIEDOF-AWEZNQCLSA-N 256.393 3.556 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)CCC2CCC2)c1 539919455 KAFDUHSWEMGVLY-UHFFFAOYSA-N 283.375 3.651 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CC1 355285657 WKQOCKMRITZFOS-LSDHHAIUSA-N 273.351 3.544 30 20 CHED CC(C)C(CN[C@@H](C)CC1(C#N)CCOCC1)C(C)C 602629644 ICKXDBKPOWOGKN-HNNXBMFYSA-N 280.456 3.603 30 20 CHED C=CCC[C@@H](N[C@@H](C)CN(CC)CC)c1ccco1 353513120 FAPCSGCKIYSSKE-LSDHHAIUSA-N 264.413 3.607 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(C[S@@](C)=O)cc1 353815350 DGERTOHUEBUCIO-YLJYHZDGSA-N 293.476 3.790 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cnn(C(C)C)c2)cc1 264851902 LTEDDFMRXPOPEW-OAHLLOKOSA-N 299.418 3.880 30 20 CHED C=CC[C@H](CO)CN[C@@H](c1ccc(CC)cc1)C(C)C 537093553 RQLASNTVOLEGBA-FUHWJXTLSA-N 275.436 3.720 30 20 CHED COc1cc(C#N)cc(Cl)c1OCCCOC(C)(C)C 610681626 OKJJCKAXZDSYOK-UHFFFAOYSA-N 297.782 3.804 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1C[C@@H]1c1cccc2ccccc12 357690600 HHMZHPUVXHRGPF-SJORKVTESA-N 292.382 3.752 30 20 CHED CCOc1ccc(NC(=O)c2ccc(CC#N)cc2)c(C)c1 535350659 QOVRSVXYYIHFGB-UHFFFAOYSA-N 294.354 3.712 30 20 CHED CC[C@@H](N[C@@H](C)c1c(C)noc1C)c1ccc(C#N)cc1 618567973 BCUALCFULDZUGE-MEDUHNTESA-N 283.375 3.965 30 20 CHED C=CC(C)(C)C(=O)NCc1ccccc1OCC(C)C 448767122 IQTGRUSFARFYRA-UHFFFAOYSA-N 275.392 3.550 30 20 CHED C=C(C)CCNC(=O)N(C)C1CCC(C)(C)CC1 458989234 AWOASFXOQCTZNG-UHFFFAOYSA-N 252.402 3.563 30 20 CHED CO[C@]1(C)C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1(C)C 611393587 IGOVUINCQZQWMZ-ZIFCJYIRSA-N 298.430 3.729 30 20 CHED CC1(C)C[C@H]1CN[C@H]1CCCc2cc(C#N)ccc21 611394199 SLRHCDMIYADRJT-HOCLYGCPSA-N 254.377 3.571 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2CCc3c(Cl)cccc32)c1 611410048 LWSMROZQKZYHGQ-HNNXBMFYSA-N 296.757 3.880 30 20 CHED C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccsc1 619758180 VXEAHFSBEZKSKG-SECBINFHSA-N 290.775 3.764 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 613304447 CRNKTVIWLCWQGS-IAGOWNOFSA-N 271.404 3.680 30 20 CHED C[C@H](C(=O)NCCCC#N)c1ccc(Cl)c(Cl)c1 273010269 JDKDDHJTPXBRSR-VIFPVBQESA-N 285.174 3.517 30 20 CHED C=CCCCC(=O)N[C@@]1(C)CCCc2ccccc21 547242477 LVHKQLOIBCOTQL-KRWDZBQOSA-N 257.377 3.711 30 20 CHED CCOC(=O)c1cccc(S[C@@H]2CC[C@H](C#N)C2)c1 450928938 HFBCSPQCOBIXMR-SMDDNHRTSA-N 275.373 3.648 30 20 CHED CCC[C@@H](NC(=O)c1cccc(CC#N)c1)C1CCCC1 458352301 ZARJFGOJFSCOBL-QGZVFWFLSA-N 284.403 3.841 30 20 CHED C=CCOCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 451878660 NLKZRLPJQOWYPD-KRWDZBQOSA-N 299.418 3.683 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccc(Br)s1 450806839 FCXCWOIRRWOASK-VIFPVBQESA-N 299.237 3.855 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1=CCC(C)(C)CC1 456001326 ZOMZZUQYCQJRLX-UHFFFAOYSA-N 268.360 3.942 30 20 CHED C=C(C)[C@H](N[C@H](C)c1ccncn1)c1ccc(F)c(F)c1 453199463 QFGMVRSNMHZWPN-BZNIZROVSA-N 289.329 3.723 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(/C=C\C)cc1 360315219 CRJHATXDQUGFGP-VGVVRCBHSA-N 259.349 3.639 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CCCC1 450309438 SZAXZCSERYFJCF-CABCVRRESA-N 293.451 3.833 30 20 CHED CC1(c2ccccc2)CC(N[C@H]2CCC[C@H](C#N)C2)C1 278693908 KQAHBSRPFDBCON-WSDZMALLSA-N 268.404 3.779 30 20 CHED Cc1cccc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)c1C 271834696 UYGQGEMRCAIYCA-DNVCBOLYSA-N 294.398 3.559 30 20 CHED C=C(C)[C@H](CC(=O)N(Cc1ccccc1)C1CC1)OCC 270045090 PKRVGSRHFUGUKN-KRWDZBQOSA-N 287.403 3.549 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)CCCOC 279286992 AWBXWEBZCSDCGO-INIZCTEOSA-N 289.419 3.654 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCCCC1(C)C 543236284 FSQWADQPYQDQNV-QWHCGFSZSA-N 252.402 3.609 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1c1ccc(C#N)cn1 543993939 MGCRIPMELDZKPF-RHSMWYFYSA-N 277.371 3.726 30 20 CHED C=CCCN(C)C(=O)C1(c2cccc(F)c2)CCCC1 467059589 NAAYEGZGUYLCJK-UHFFFAOYSA-N 275.367 3.672 30 20 CHED CCCC[C@@H](Sc1ccc(C#N)cc1F)C(=O)OC 463206117 OMXXJXNHPRQHGS-CYBMUJFWSA-N 281.352 3.521 30 20 CHED C=CCC[C@@H](C(=O)Nc1cnc(O)c(C)c1)c1ccccc1 548634280 ISSYFMPTNYVVMV-MRXNPFEDSA-N 296.370 3.784 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2NCCCCC#N)cc1 370643785 LCLGXOSQUKHUFG-IAGOWNOFSA-N 256.393 3.915 30 20 CHED C=C(Cl)CN[C@H]1CCC[C@@H](c2ncccc2C)C1 281567967 KHRCXAHRSMKXAS-KGLIPLIRSA-N 264.800 3.758 30 20 CHED CC(C)(C#N)CCN1CCCn2c(cc3ccccc32)C1 287316897 LIXVRDYOHSLOCG-UHFFFAOYSA-N 281.403 3.787 30 20 CHED N#CCCCCSc1nc(C2CC2)nn1-c1ccccc1 288797034 LGSRWQZMDDMTBU-UHFFFAOYSA-N 298.415 3.931 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 464524094 FGNOOJGLOYARSQ-OAHLLOKOSA-N 283.415 3.936 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]1CCOC 281997463 CTBORMYBBUWOOX-NVXWUHKLSA-N 289.419 3.546 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] 463658428 QOSQPFCOARHGCE-MBNYWOFBSA-N 285.347 3.847 30 20 CHED C=CCOCCN1CC[C@@](C)(CCc2ccccc2)C1 555380578 XKIKRYWKMMELMF-GOSISDBHSA-N 273.420 3.534 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(C(=O)N(C)C)cc1 284280359 HLYLROVIBZFRJY-CQSZACIVSA-N 260.381 3.545 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)c1ccc(C)cc1 559937666 WBLPEEAATQFFTO-AWEZNQCLSA-N 259.393 3.817 30 20 CHED Cc1ccccc1CC(=O)N[C@@](C)(C#N)C1CCCCC1 557899101 HBZRISPROIKHDA-SFHVURJKSA-N 284.403 3.516 30 20 CHED C[C@@H]1CCCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 281680925 UPBNMMGCGZETTD-CQSZACIVSA-N 284.403 3.750 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CSc1ccc2ccccc2c1 470160117 RZNXGUAGZCIXDL-MRXNPFEDSA-N 298.411 3.596 30 20 CHED C#Cc1ccc(CNc2ccc3nc(C)oc3c2)cc1 809628380 HRTPPPQCWQPETQ-UHFFFAOYSA-N 262.312 3.730 30 20 CHED C=CCC[C@H](NC[C@H]1CCCCN1CC)c1ccco1 556868603 SZXFOMIHSQJQNG-CVEARBPZSA-N 276.424 3.751 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H](C)SCC1CC1 291492669 IHZUOMUQASRWJM-LBPRGKRZSA-N 295.473 3.794 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1cccc(C2CC2)c1 295597686 OWGUFPHSMHZXIZ-SJKOYZFVSA-N 270.376 3.681 30 20 CHED C=CCOCCCSc1nc2ccc(OCC)cc2[nH]1 475946059 MICQDKFZSIWNRI-UHFFFAOYSA-N 292.404 3.646 30 20 CHED C=CCOc1cccc(CN2CCOCc3ccccc32)c1 565747413 JOHOZTCAFOHDAQ-UHFFFAOYSA-N 295.382 3.788 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(N2CCCCCC2)cc1 297067517 JZEPGUCXUMVGHB-UHFFFAOYSA-N 299.418 3.554 30 20 CHED C=CCOC(=O)C(C)(C)c1csc(-c2cccs2)n1 800291621 CUDDCDVKJGEEFN-UHFFFAOYSA-N 293.413 3.878 30 20 CHED CCCCN(CCO[C@@H](C)C#N)[C@@H](C)c1ccccc1 801913847 OJKGNNVJWIACRC-HOTGVXAUSA-N 274.408 3.778 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H](c2cccc(F)c2)C1 560677555 YGULSOGLLXIHRE-OAHLLOKOSA-N 298.336 3.826 30 20 CHED C#CCCCc1nc(-c2oc3ccccc3c2C)no1 809465688 GEOPIEPVSKQELV-UHFFFAOYSA-N 266.300 3.747 30 20 CHED C[C@@H]1CN(c2cccnc2C#N)CC[C@H]1c1ccccc1 569163700 LPOMIBHLYMHMRJ-GDBMZVCRSA-N 277.371 3.583 30 20 CHED CCC(CC)OC(=O)c1cc(C#N)ccc1Cl 803834628 LQAOSSIHDKNPLU-UHFFFAOYSA-N 251.713 3.557 30 20 CHED C#Cc1ccc(CN[C@H](CC)c2nc(C)cs2)cc1 809616916 BTFWXOZWKHJXOR-OAHLLOKOSA-N 270.401 3.674 30 20 CHED C=CCCCCNC(=O)C(C)(C)Cc1ccccc1OC 471705046 IFUNUTQSDKWMDY-UHFFFAOYSA-N 289.419 3.736 30 20 CHED CC(C)c1cccc2c1OCC/C(=C/c1cn(C)cn1)C2=O 800794770 PQLBJWPPLOKQTD-LCYFTJDESA-N 296.370 3.592 30 20 CHED COC(=O)CCC[C@@H]1CCCC(=NN[C@H](C)C(C)(C)C)C1 814938255 XYRPHAOHOUZSJE-KGLIPLIRSA-N 296.455 3.900 30 20 CHED COc1cccc(NN=C2CS[C@@H](C(C)C)C2)c1 814778486 HSSIWDXVJUMRPX-CQSZACIVSA-N 264.394 3.625 30 20 CHED Cc1ccc2c(c1)CCN([C@@H](C)c1cccc(C#N)c1)C2 484015800 LHNNCCZBBFWEAQ-HNNXBMFYSA-N 276.383 3.986 30 20 CHED CC(C[C@H](C)CC(C)C)=NNC[C@@H]1CCSC1 811661237 HEZGSAQYQSEJPB-OCCSQVGLSA-N 256.459 3.777 30 20 CHED CC(C)Cc1ccc(C=NN[C@H](C)c2ccncc2)cc1 819816614 LUFPQEBFHGSQLK-OAHLLOKOSA-N 281.403 3.965 30 20 CHED CC(=NNc1ccccc1F)[C@@H](C)CCCCC(=O)O 814789667 LWWFRQCIFOPYJL-NSHDSACASA-N 280.343 3.895 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1C 482697039 PKIQWNLFFUBUSH-IIDMSEBBSA-N 298.430 3.679 30 20 CHED CCOc1ccccc1C(C)=NNc1ccccc1C(=O)O 812445722 XTJMJSKPUICXFU-UHFFFAOYSA-N 298.342 3.620 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OC2CCC2)c(F)c1 815752144 FJMWORCXWXELJF-UHFFFAOYSA-N 299.292 3.907 30 20 CHED C=CCN(CCC#N)C(=O)c1cc2c(F)cccc2s1 814137101 KWJVLHFFSCYIJR-UHFFFAOYSA-N 288.347 3.582 30 20 CHED C#Cc1ccccc1CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 810481526 VACCGTVVTNVXNQ-ZYSHUDEJSA-N 295.426 3.638 30 20 CHED CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)s1 487567507 BKEDXVVTOAPWFR-CQSZACIVSA-N 298.411 3.713 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1ccc(F)cc1 815313450 HJLBHYNMRMFWEP-VIFPVBQESA-N 258.239 3.641 30 20 CHED C=CCC1(NC(=O)N[C@H]2CCC(F)(F)C2)CCCCC1 655692518 CBGRJROQUZNBCD-LBPRGKRZSA-N 286.366 3.752 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@@H](C3CCCC3)C2)c1 817301320 KLJSEBJSZAIOFO-MRXNPFEDSA-N 282.387 3.712 30 20 CHED Cc1cc(C#N)cc(C)c1OC[C@H](O)CCc1ccccc1 570486759 IOXOXSMTLREACM-GOSISDBHSA-N 295.382 3.548 30 20 CHED C=CCCC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 576057008 DZCPOUZGKSFQFO-UHFFFAOYSA-N 283.293 3.777 30 20 CHED N#CCc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c(Cl)c1 570595007 FZMSFWHJBYUCNZ-RWMBFGLXSA-N 288.778 3.781 30 20 CHED N#CCCC[C@H](NC[C@@H]1CCCC[C@H]1O)c1ccccc1 577955671 CLQGLKGFNBNZNA-OKZBNKHCSA-N 286.419 3.562 30 20 CHED COC1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCCC1 483262995 BUYCCBRBFIVIGU-ROUUACIJSA-N 298.430 3.717 30 20 CHED O=C(O)c1cccc(NN=C2CC(c3ccccc3)C2)c1 814687890 XNFASIFMCDLETP-UHFFFAOYSA-N 280.327 3.730 30 20 CHED CCN(C(=O)C[C@@H]1C[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 575223380 VTEMUGQSBNMRLS-WWGRRREGSA-N 270.376 3.514 30 20 CHED N#Cc1c(F)cccc1/C=C1\CCc2c(O)cccc2C1=O 811690409 ALPPYPWUPHEFQR-FMIVXFBMSA-N 293.297 3.615 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n1 486588778 XHQZFTUSTFGUMX-NXHRZFHOSA-N 289.382 3.568 30 20 CHED C=CCCCCCCCNc1nnc(C(F)F)o1 814369709 XEXSXXMAZMNYMF-UHFFFAOYSA-N 259.300 3.946 30 20 CHED C=CCCCCN(CC(=O)O)[C@H](CC)c1ccccc1 579616341 QHFMHIRWSBKGIJ-MRXNPFEDSA-N 275.392 3.881 30 20 CHED C=CCNC(=S)NC(C)(c1ccccc1)c1ccccc1 728796923 MOWGXLYCNJWJLT-UHFFFAOYSA-N 296.439 3.600 30 20 CHED C=CCC1(c2nc(-c3c(C)noc3C)no2)CCCC1 578218906 HANRPHYXYQUCDA-UHFFFAOYSA-N 273.336 3.729 30 20 CHED C#Cc1cccc(CNC2CCN(C3CCCCC3)CC2)c1 825226153 DRYQECDUKYGNAY-UHFFFAOYSA-N 296.458 3.555 30 20 CHED C=C(C)COc1cc(C=NNC2CCCC2)ccc1OC 727651911 SSLWNNYYJWYYNP-UHFFFAOYSA-N 288.391 3.516 30 20 CHED CC(C)(C)CCCN1CCC[C@]2(CCCCO2)[C@@H]1C#N 499770927 MQKHXEPMIQIGDA-DOTOQJQBSA-N 278.440 3.740 30 20 CHED C=C[C@H](CC)CC(=O)N(CCCC)c1ccccn1 906090560 ZWAQFNVCQQUVSD-CQSZACIVSA-N 260.381 3.817 30 20 CHED C=C1CCN(C(=O)/C=C\c2cc(C)c(C)cc2C)CC1 731196963 MVOVKJGHCXGMLP-WAYWQWQTSA-N 269.388 3.804 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(C(=O)O)o1 901656879 PWDATPGJNOZACX-GFCCVEGCSA-N 265.353 3.592 30 20 CHED Cc1csc(NC(=O)N2CC[C@@H](CC3CC3)C2)c1C#N 584418926 PKIUDQRTBLXLJO-LBPRGKRZSA-N 289.404 3.582 30 20 CHED C[C@H](N[C@H](c1ccccn1)C1CC1)c1cccc(C#N)c1 903336248 WUMBNGPETZPPDA-UGSOOPFHSA-N 277.371 3.755 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)n2)C1 904108372 KMPXLTDMWSAMFD-UONOGXRCSA-N 297.314 3.683 30 20 CHED CCCCC(COC)=NNc1ccccc1Cl 737415653 FXOJUKTZCIWJPQ-UHFFFAOYSA-N 254.761 3.945 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCC[C@@H]1CCCCO1 588457743 DEDPPLOSVOZCBQ-UEIJICEPSA-N 298.386 3.709 30 20 CHED CCc1ccc(-c2noc(CCCCCC#N)n2)cc1 588321375 USLLPZTWJSRSKG-UHFFFAOYSA-N 269.348 3.925 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2CC)C1(C)C 736429794 GPYDSDMJMBAFLN-HNNXBMFYSA-N 260.381 3.852 30 20 CHED CCCCCCCc1nc(-c2c(C)noc2C)no1 834871352 NSNDGYKCOSRBDF-UHFFFAOYSA-N 263.341 3.854 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)OCC(C)(C)CCC#N 835386613 LWRRMHNUOHHHBS-QWHCGFSZSA-N 251.370 3.686 30 20 CHED Cc1nc(C)c(C(=O)OCCCCC2(C#N)CCC2)s1 908781210 TWVLJYQNVDWIDP-UHFFFAOYSA-N 292.404 3.781 30 20 CHED CC[C@H](NCCC1CCN(CC)CC1)c1cccc(C#N)c1 902820079 NYRZVWJIXYQGGX-IBGZPJMESA-N 299.462 3.721 30 20 CHED C=CCCCOC(=O)c1[nH]c2ccccc2c1Cl 735528130 OKXGOQKMKOYKSQ-UHFFFAOYSA-N 263.724 3.944 30 20 CHED C=CCC[C@@H](NCCN(C)C1CCCC1)c1ccco1 671746363 UTMQZJVSEYASLV-MRXNPFEDSA-N 276.424 3.751 30 20 CHED CCc1ccc(CC/N=C\c2c(O)cccc2OC)cc1 735978941 QDERFKRAJHDWQA-UYRXBGFRSA-N 283.371 3.625 30 20 CHED C#CCC(C)(C)COC(=O)c1cc2cccnc2s1 835280670 RVYCOBYSGKEECJ-UHFFFAOYSA-N 273.357 3.503 30 20 CHED C#CCC1(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)CCCCC1 836887216 ZLPVHRFVZRZHBA-SJORKVTESA-N 285.431 3.607 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H](C)c2cccc(F)c2)c1 734771179 GLUSAVWRDWCWLG-CQSZACIVSA-N 295.357 3.964 30 20 CHED C#CCN[C@@H](c1ccc(Br)cc1)C1CCC1 390335255 LOECEYBCUBKULG-CQSZACIVSA-N 278.193 3.513 30 20 CHED C[C@@H](CN1CCC[C@@H](CC#N)C1)c1ccc(F)cc1 597178055 UZFSFUVFIYSXBF-KBPBESRZSA-N 260.356 3.555 30 20 CHED Cc1csc(C(=O)OCC2(C#N)CCCCC2)c1 835281564 AMWIEHFTWXRBJT-UHFFFAOYSA-N 263.362 3.687 30 20 CHED CCCCCCCCC(=O)NCCN1CCCCCC1 914739478 TUMCZFMNNTYWRV-UHFFFAOYSA-N 282.472 3.729 30 20 CHED Cc1ccc(SCC(=O)[C@H](C#N)c2ccccn2)c(C)c1 916881517 BKAUIKFWVOFSLE-CQSZACIVSA-N 296.395 3.667 30 20 CHED C=CCN(Cc1cccs1)C[C@@H](O)c1ccc(C)cc1 743258200 NAVXINBWPNLDHU-QGZVFWFLSA-N 287.428 3.778 30 20 CHED Oc1ccc(C=NNc2cccc(C(F)(F)F)c2)c(O)c1 916260041 NNALYSVBBSINKU-UHFFFAOYSA-N 296.248 3.563 30 20 CHED COc1cccc(C2(NCc3ccc(C#N)cc3)CCC2)c1 594997433 LOYUTPJFTQBWPJ-UHFFFAOYSA-N 292.382 3.736 30 20 CHED CCCC[C@@H]1CCCC1=NN=C(C)c1cnccn1 745204245 YQGRWOBIJAGMJA-CYBMUJFWSA-N 258.369 3.632 30 20 CHED CCSc1ccc(Cl)cc1C(=O)N(C)[C@@H](C#N)CC 594098482 UNEIMXHFNVQCRZ-LLVKDONJSA-N 296.823 3.826 30 20 CHED CCOc1ccc(O)c(C=Nc2cccc(F)c2C)c1 745975899 CPBINRYYLPJHCN-UHFFFAOYSA-N 273.307 3.989 30 20 CHED CC1CCC(=CC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 743778645 NNUJLWSSGCOKJY-ARLHGKGLSA-N 282.387 3.872 30 20 CHED CCN(Cc1ccccc1Cl)C(=O)C#Cc1ccccc1 747205029 UYQHQNNMUCHGCN-UHFFFAOYSA-N 297.785 3.740 30 20 CHED CC(=NNc1nc(-c2cccn2C)cs1)c1ccccc1 749260497 DDXGRBPXVABQGE-UHFFFAOYSA-N 296.399 3.985 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccccc1[N+](=O)[O-] 916250261 RUJAUJAWANAWKN-UHFFFAOYSA-N 269.304 3.739 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1ccsc1)c1ccccc1 593445278 FNAPXLDXJBXOBN-AWEZNQCLSA-N 284.384 3.831 30 20 CHED Clc1ccc2c(C=NOCc3cccnc3)c[nH]c2c1 746587206 JBBSOBQRUJJYAJ-UHFFFAOYSA-N 285.734 3.767 30 20 CHED CC[C@@](C)(C#N)C(=O)NCc1ccc(-c2cccs2)cc1 597975663 JGYQQWYZTKYUDZ-KRWDZBQOSA-N 298.411 3.971 30 20 CHED CCN(CCC#N)C(=O)Nc1cc(C)ccc1C(F)(F)F 597077547 WMWIEVXFZGLSCH-UHFFFAOYSA-N 299.296 3.781 30 20 CHED CCCNc1ccc(Cl)cc1NC(=O)[C@H](C#N)CC 593529849 GMUCHHRYJGKDMB-JTQLQIEISA-N 279.771 3.650 30 20 CHED Cc1cc(C)c2c(c1)C(=NOCc1cccnc1)CCCO2 746586371 XNFKYFFIDFOESC-UHFFFAOYSA-N 296.370 3.792 30 20 CHED C=CCN(C(=O)CSCc1cccc(C)c1)C(C)C 914682878 NTKOXKDALWYURI-UHFFFAOYSA-N 277.433 3.651 30 20 CHED CC(C)(CC#N)COC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 842338440 OMHYVMXNBLWJIF-PBHICJAKSA-N 271.360 3.663 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H](C)c2ccco2)cc1 594028514 SXKMEEVMJHPFKY-XJKSGUPXSA-N 296.370 3.669 30 20 CHED COc1cccc(C2(N[C@@H]3CCC[C@@H](C#N)C3)CCC2)c1 595093922 PUWNFILJJFRDHH-GDBMZVCRSA-N 284.403 3.746 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCC1CCCCC1 593960499 CVJKEIOIEHPHLJ-OAHLLOKOSA-N 298.430 3.823 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCSc1cccc(Cl)c1 849775863 VFTFJTJAQDAXLJ-AWEZNQCLSA-N 297.807 3.915 30 20 CHED C=CCOc1cccc(CN2CC[C@H](c3ccco3)C2)c1 678262312 LYVCKYNELROOCU-INIZCTEOSA-N 283.371 3.834 30 20 CHED C=CCCCOC(=O)[C@@H]1C[C@@H]1c1sccc1C 748448858 MPYBSEHTLWYIKE-NWDGAFQWSA-N 250.363 3.669 30 20 CHED C#CCCCNCC1=Cc2cc(Cl)cc(Cl)c2OC1 742382586 FAEKCPUFNVHDJH-UHFFFAOYSA-N 296.197 3.772 30 20 CHED Cc1cccc([C@H](C)C(=O)OCc2cccc(C#N)c2)c1 740352111 ZDUOKOGBVDZVIA-AWEZNQCLSA-N 279.339 3.714 30 20 CHED C[C@@H]1c2ccccc2CCN1CCc1ccc(C#N)cc1 595312483 NKTMKNAPORSMQC-OAHLLOKOSA-N 276.383 3.720 30 20 CHED CC1(C)CCc2cc(C=NOCc3cccnc3)ccc2O1 746587278 MDIAFSVCFCPVFI-UHFFFAOYSA-N 296.370 3.736 30 20 CHED N#CC[C@@H]1CCCN(C(=S)Nc2ccccc2Cl)C1 849271498 LJGBEJKMSROQLB-NSHDSACASA-N 293.823 3.662 30 20 CHED CCCC[C@H](C(=O)NCc1ccc(C#N)cc1F)C(C)C 598683495 HZPIZISPJKSVQK-HNNXBMFYSA-N 290.382 3.776 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(C(F)(F)F)c(C)c1 844550129 VSLIXWVULHYHQH-VIFPVBQESA-N 288.269 3.641 30 20 CHED C=C(C)CNC(=S)N(CCC)[C@@H]1CCc2ccccc21 745678935 LKJWYFCCLKHHKN-MRXNPFEDSA-N 288.460 3.837 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CC1(C#N)CCCCC1 596629602 DWZKVGXURWTJCQ-QLFBSQMISA-N 276.424 3.791 30 20 CHED C[C@@H](C1CC1)N(C(=O)CC1(C#N)CCCCC1)C1CC1 596783476 QSOYTGXMJGUMOI-ZDUSSCGKSA-N 274.408 3.640 30 20 CHED N#Cc1ccc(CN(CC2=CCCC2)C2CC2)cc1 592064448 FAMCGRGATYJVLS-UHFFFAOYSA-N 252.361 3.633 30 20 CHED C[C@]1(Cc2ccccc2F)CCCN1CCCC#N 592144036 YPMPTLZSAZKBCC-MRXNPFEDSA-N 260.356 3.526 30 20 CHED CC[C@H](C#N)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 593427636 WOZLMSZPPHTQEM-SECBINFHSA-N 297.185 3.648 30 20 CHED C#Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 841894819 WIPLXIOFHFVGEC-HXUWFJFHSA-N 286.378 3.707 30 20 CHED CCC[C@H](C(=O)N(C)[C@H](C)C#N)c1ccc(Cl)cc1 598842172 IINZDTYNHASJQH-RISCZKNCSA-N 278.783 3.594 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)c1ccc(N(C)C)cc1 843269830 UMAOSEWNGWEMNG-MDZDMXLPSA-N 297.402 3.501 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@H](C)c1ccc(C)cc1 599540328 YYGYZSBDVXQXFU-AWEZNQCLSA-N 272.392 3.545 30 20 CHED CSCCCCC(=O)N(CC#N)c1ccc(Cl)cc1 592650563 KSYGKBZAPUVICE-UHFFFAOYSA-N 296.823 3.730 30 20 CHED C#CCCCNC(=S)Nc1ccc2ccccc2c1 743012191 YUAFQMQHAFCOQK-UHFFFAOYSA-N 268.385 3.540 30 20 CHED C=CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(=O)C(C)(C)C1 847943850 SVQNQPZYTFCHJM-NEPJUHHUSA-N 266.381 3.526 30 20 CHED C[C@@H](O)CN(C)N=C1CC=C(c2ccc(Cl)cc2)CC1 841653623 UPVWAZKZVZJYQP-GFCCVEGCSA-N 292.810 3.576 30 20 CHED CC(C)(CC#N)CN[C@@H](c1ccccc1)C1CCOCC1 840787654 NJDXHHGHHDJSAB-KRWDZBQOSA-N 286.419 3.684 30 20 CHED C=CCC1(C(=O)Oc2cccc(OCC#N)c2)CCCC1 841343521 CCKBFKRDCTVNDZ-UHFFFAOYSA-N 285.343 3.631 30 20 CHED C[C@@H](CNc1snc(Cl)c1C#N)CC(F)(F)F 840371214 ODZOPXGMCHQTNL-RXMQYKEDSA-N 283.706 3.669 30 20 CHED Oc1cccc(/C=N\Cc2cc3ccccc3s2)c1O 920479075 JQJLMGQHLNFCQF-MFOYZWKCSA-N 283.352 3.932 30 20 CHED C[C@H](NCC1CCC(C#N)CC1)c1cccc(CN(C)C)c1 926357596 YFJCTDQNQRDURR-GTPINHCMSA-N 299.462 3.729 30 20 CHED COc1ccc(C=NO[C@H]2CCCCO2)c2ccccc12 755824258 PHHXAQJPQUCFMV-KRWDZBQOSA-N 285.343 3.726 30 20 CHED Cc1cc(NN=C[C@H]2C[C@H]2C)ccc1Br 758374783 JBBPFSRCOOZQKI-PSASIEDQSA-N 267.170 3.811 30 20 CHED C=CCCN[C@@H](C)c1cc(C)c(OC)c(Cl)c1 850501704 FWJVFLZXPLNCHN-NSHDSACASA-N 253.773 3.884 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc(C#N)cc1 920384591 YJCFLOIKLDCFJX-UHFFFAOYSA-N 253.280 3.533 30 20 CHED COc1cccc(/C=N/C[C@@H]2CCCC[C@@H]2C)c1O 920387681 SJVDPZYMIDWKFV-VYBPFTPOSA-N 261.365 3.646 30 20 CHED C#CC[C@@H](NCc1cc(F)c(F)cc1F)c1ccccc1 756998127 RDPMIMHIQGKYLC-QGZVFWFLSA-N 289.300 3.958 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(OCCCC)cc1C 753944466 ZFOAMTDHJSQSLM-UHFFFAOYSA-N 288.391 3.707 30 20 CHED Cc1ccc([C@@H](NCC2(C#N)CCC2)c2cccnc2)cc1 926628540 WWVGGQBIVSXEDB-GOSISDBHSA-N 291.398 3.763 30 20 CHED CCOc1ccc(C=NOCCOc2ccccc2C)cc1 852212077 SWEVZPQCMZWYNI-UHFFFAOYSA-N 299.370 3.823 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1cnn(C(C)C)c1)O2 759118029 RELBAZRMCNQGCH-APSNUPSMSA-N 282.343 3.697 30 20 CHED N#Cc1cc(C(=O)Nc2cccnc2Cl)ccc1Cl 754059058 FZMVLXBWDAKEQB-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC(=NNc1cncc(Br)c1)C1CCCC1 758129780 KDTUVEJAIWQZOZ-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CCCCCCCCNC(=O)Cc1ccc(C)o1 754852676 CCBDHOXHBYGWPO-UHFFFAOYSA-N 251.370 3.607 30 20 CHED CC(=NNc1ncccc1Cl)c1cc(F)cc(F)c1O 757461173 LDMWRVAVUVITQE-UHFFFAOYSA-N 297.692 3.555 30 20 CHED C#CC[C@@H](Nc1ncnc2sccc12)c1ccccc1 756845018 PFIKHOBMVZVAPG-CQSZACIVSA-N 279.368 3.868 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 757011818 CWLLHLJOOVHEOK-LLVKDONJSA-N 256.349 3.596 30 20 CHED C[C@H]1CCC(=NNc2ccc(F)cn2)c2ccccc21 752730236 KQFCUZCPAVGKGK-NSHDSACASA-N 269.323 3.934 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(CCC#N)C(C)C)cc1 755278883 GQQNIUSHDAVIMQ-AWEZNQCLSA-N 272.392 3.964 30 20 CHED C#C[C@](C)(CC)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 854693988 CMOLKQPBCWXKBG-IAQYHMDHSA-N 297.320 3.884 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2 756712449 QHJWVCCKQAIXSJ-OLZOCXBDSA-N 259.393 3.886 30 20 CHED CCO[C@@H]1CC(=NO[C@H]2CCCCO2)C1(CC)CC 755822140 GFJNUELDUUXSGB-KGLIPLIRSA-N 269.385 3.501 30 20 CHED N#CC1(CCCCN2CC[C@H](C(F)(F)F)C2)CCC1 930121617 QIJMUWIJNAAAIP-LBPRGKRZSA-N 274.330 3.735 30 20 CHED CC[C@@H]1CCCC1=NNc1oc(C(C)(C)C)nc1C#N 758375655 XCLJDYSEHMXLBK-SNVBAGLBSA-N 274.368 3.822 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1cccc2[nH]ccc12 757048681 JYECBLURVJGKNU-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C=C[C@H](CC)CC(=O)N1CC(Cc2ccccc2C)C1 934421928 LRWTYODNQCIHEP-OAHLLOKOSA-N 271.404 3.598 30 20 CHED CC(C)c1ccsc1C(=O)Nc1cc(C#N)ccc1O 759720637 PUUPPUNHYJVBQB-UHFFFAOYSA-N 286.356 3.701 30 20 CHED C=CC[C@H](OC(=O)c1cn(CC)nc1C)c1ccccc1 860678115 VCCGBGIVZHCJPG-INIZCTEOSA-N 284.359 3.686 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)ccn1 935697318 KGZCDUALNKIZKK-KRWDZBQOSA-N 292.382 3.929 30 20 CHED C=CC[C@H]1N(CC(F)(F)C(F)F)CCCC1(C)C 769954668 WGENHTSKXHHDDR-SNVBAGLBSA-N 267.310 3.954 30 20 CHED CCCOc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1C 861626714 UKVQNAHHIYEBEC-CYBMUJFWSA-N 289.379 3.550 30 20 CHED Fc1cc(NN=Cc2ccc(C(F)(F)F)s2)ccn1 761826776 HWUVCIJYBYTXII-UHFFFAOYSA-N 289.257 3.747 30 20 CHED Cc1ccc(NN=Cc2c(C)nc3sc(C)cn23)cc1 767009932 DZBWIEAVDNJHKM-UHFFFAOYSA-N 284.388 3.767 30 20 CHED C(=NNc1nc2ccccc2[nH]1)c1cnc(C2CCC2)s1 760223140 FAHYVJICEFZOJI-UHFFFAOYSA-N 297.387 3.733 30 20 CHED C#CCCc1noc(-c2ccc(CN(CC)CCC)cc2)n1 761999764 UNDHVCUCQMRQTC-UHFFFAOYSA-N 297.402 3.534 30 20 CHED CC[C@@H](CC#N)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 762718045 DPRSTYIDLPBUNU-KXKDPZRNSA-N 284.403 3.806 30 20 CHED C#C[C@@H](OC(=O)C[C@H]1C=CCC1)c1ccc(C)cc1 860965052 CBBRRTRGCOLMIH-GOEBONIOSA-N 254.329 3.569 30 20 CHED CC(C)Cc1ccc(COC(=O)C2(C#N)CC(C)C2)cc1 767432229 VQOAHNIXHVYDQF-UHFFFAOYSA-N 285.387 3.868 30 20 CHED Fc1ccc(NN=Cc2cc(F)c(F)cc2F)c(F)c1 767743171 GPIIFTOFLWVGNH-UHFFFAOYSA-N 286.203 3.828 30 20 CHED C=CCCCc1nc([C@@H]2CCc3ccccc3C2)no1 762243761 KXXSFAAHXKPHEC-OAHLLOKOSA-N 268.360 3.851 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(Cl)c(Cl)c1O 1116643698 SLDCGFWWOJPPSZ-IUCAKERBSA-N 290.190 3.551 30 20 CHED Cc1cccc(C(=O)/C=C\c2cccc(C(=O)O)c2)c1 774117627 YCWWPVTXIGZLGN-HJWRWDBZSA-N 266.296 3.589 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3cccc(F)c3F)ccc21 776268502 RIDLKCFPSHOGKN-SOFGYWHQSA-N 299.320 3.853 30 20 CHED C=CC(C)(C)CC(=O)Nc1n[nH]c(-c2ccc(C)o2)c1C 879223528 SVIBJPQLBNANQG-UHFFFAOYSA-N 287.363 3.827 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@H]1CCCC1(C)C 773134655 DGARBYBUOWWHNP-CYBMUJFWSA-N 289.350 3.603 30 20 CHED Cn1ccc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)n1 773151572 UYOCPWZUBAOUTR-NTMALXAHSA-N 288.350 3.568 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(Cl)cn1 774387113 ORJLNNPAUJUZCD-UHFFFAOYSA-N 281.693 3.849 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cccc(C2CC2)c1 1126777409 DONXSEUWICLUSZ-UHFFFAOYSA-N 280.302 3.827 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H](C)c1cccc(C)c1 775939540 UURBUOBKRAYBPL-OAHLLOKOSA-N 293.366 3.749 30 20 CHED C#CCCCCC(=O)Nc1cccc(OCCCC)c1 773279152 TVWXQXXCHRSCDL-UHFFFAOYSA-N 273.376 3.998 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccc3[nH]ncc3c2)C1 779815563 BYBGTFADLWVPMB-VXGBXAGGSA-N 256.353 3.787 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(-c2ccco2)on1 1120814179 YCFQGNQMLJDZAL-GFCCVEGCSA-N 286.331 3.505 30 20 CHED C=C(C)[C@@H](NC(=S)NCC(C)C)c1ccc(F)c(F)c1 774204043 GQDXCWWSLRBOBM-CQSZACIVSA-N 298.402 3.702 30 20 CHED Cc1cc2cc(C=NOC3CCOCC3)oc2cc1C 774451875 UITVSVUACQUUNQ-UHFFFAOYSA-N 273.332 3.579 30 20 CHED CC(=NOC[C@H]1CCOC1)c1ccc(Cl)cc1Cl 788029212 DFRLKGHKPVXBNM-JTQLQIEISA-N 288.174 3.771 30 20 CHED C#C[C@H](C)NC(=O)Nc1cccc(-c2ccccc2OC)c1 789837909 GIUHPDFIFZXBEN-ZDUSSCGKSA-N 294.354 3.505 30 20 CHED Fc1cc(NN=Cc2csc3ccccc23)ccn1 781127794 QEWBFHSKQPLLPU-UHFFFAOYSA-N 271.320 3.881 30 20 CHED CC1(C)CC(=NN[C@@H]2CCOC(C)(C)C2)c2ccoc2C1 780240370 CADIJWPHOHCRGX-GFCCVEGCSA-N 290.407 3.503 30 20 CHED Cc1ccc(C)c(NN=C2CCC(=O)Nc3ccccc32)c1 783811587 WDZLXGQOKRBFCC-UHFFFAOYSA-N 293.370 3.852 30 20 CHED Cc1ccc2cc(C=NNc3cccc(C#N)c3)ccc2n1 783513969 HSHFUOSUFBFBMF-UHFFFAOYSA-N 286.338 3.861 30 20 CHED CCCCCCCCNC(=O)NC(C)(C)C1CCOCC1 787297565 ZAAYTDROROBRJP-UHFFFAOYSA-N 298.471 3.851 30 20 CHED CS[C@H]1CC[C@@H](Nc2ncc(Cl)c(C)c2C#N)C1 784161927 JDGVQALMSBJJAD-ZJUUUORDSA-N 281.812 3.611 30 20 CHED COc1ccc2nc(/C=C/C(=O)c3ccncc3)sc2c1 788732440 MTPFGBCSJDUAQH-SNAWJCMRSA-N 296.351 3.596 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)c1ccc(OCC)cc1 785593062 DSGCKQMBTMIINY-MRXNPFEDSA-N 261.365 3.650 30 20 CHED C=C1CCC(C(=O)N(C)[C@H](C)c2cccc(O)c2)CC1 896883711 SPVCRQURZXBTMV-CYBMUJFWSA-N 273.376 3.658 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1c[nH]c2cccc(OCC)c12 783132961 BJRJDLAEXUQGOU-LBPRGKRZSA-N 287.359 3.617 30 20 CHED Cc1nsc(N(C)C(=O)[C@H]2CCCCC2(C)C)c1C#N 891429133 YQJLZRQIJMHLFH-GFCCVEGCSA-N 291.420 3.502 30 20 CHED CC[C@H]1CCC[C@H](C=NNc2ccc(OC)cn2)C1 780267219 IDDNVDYUMMSUJI-STQMWFEESA-N 261.369 3.704 30 20 CHED C#CCC1(C(=O)OC[C@@H]2CC2(Cl)Cl)CCCCC1 788217642 IKXNMBCSISRNNI-NSHDSACASA-N 289.202 3.697 30 20 CHED C[C@H](C(=O)OCCCC(C)(C)C#N)c1cccc(F)c1 783879968 FNYIHABLGOZKHU-LBPRGKRZSA-N 277.339 3.802 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccc(SC)cc1 782441353 UVFXEXXOPGOLMV-MRXNPFEDSA-N 294.416 3.681 30 20 CHED Cc1cc(F)ncc1CN[C@@H]1CCCc2cc(C#N)ccc21 894963970 HWTZQSAFOMOTBV-QGZVFWFLSA-N 295.361 3.568 30 20 CHED C#CC[C@H](NCc1cc(C)cc(OC)c1O)c1ccccc1 894361643 LKPMYBXMAGZHRD-KRWDZBQOSA-N 295.382 3.563 30 20 CHED C=C(C)C(C)(C)c1nc(C2(CCOC)CCCC2)no1 896622462 GVSHPALVBLDTNY-UHFFFAOYSA-N 278.396 3.772 30 20 CHED C=CC1(OC(=O)c2ccc(C(F)F)cc2F)CC1 893358874 JYZWQMIKXPPFRL-UHFFFAOYSA-N 256.223 3.639 30 20 CHED O=C(/C=C/c1ccccc1C(F)(F)F)c1ccnc(O)c1 791430534 CHGHIFZRKQXEQM-AATRIKPKSA-N 293.244 3.702 30 20 CHED Cn1cc(/C=C\C(=O)c2csc(Cl)c2)c(C2CC2)n1 899369373 WNMRRQNXNIJEJN-PLNGDYQASA-N 292.791 3.909 30 20 CHED O=C(/C=C/c1ccnn1-c1ccc(F)cc1)c1cccs1 794926781 ODOXDEGEEFMWCI-BQYQJAHWSA-N 298.342 3.969 30 20 CHED Fc1cccnc1NN=CCc1cccc(Cl)c1 794981616 YXFCNNDHSMVSBP-UHFFFAOYSA-N 263.703 3.515 30 20 CHED CCc1onc(C)c1/C=C1/Cc2c(F)cc(F)cc2C1=O 899364349 SHYLDSGYWQAYLR-WTKPLQERSA-N 289.281 3.646 30 20 CHED Cc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1C#N 799298044 TWWFAZAENSKNTR-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCC(C)(C)C(=O)OCCOc1ccc(SC)cc1 796474583 SKZXLUGTSVUIRJ-UHFFFAOYSA-N 294.416 3.933 30 20 CHED C=CCCCCC[C@@H](C)Nc1ccc2c(c1)NC(=O)CO2 793543530 AIBAGVRMOWIJSM-CYBMUJFWSA-N 288.391 3.954 30 20 CHED CC1(C)C(=NNc2ncncc2F)C[C@@H]1c1ccccc1 793211190 IQYHGUIUJFBIMW-GFCCVEGCSA-N 284.338 3.597 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)c(F)c1 1207724445 YGZKTVKNMFFRFD-QGZVFWFLSA-N 284.309 3.783 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1CCO[C@H](C)C1 793532565 MQGPBAPELLCUOM-ARFHVFGLSA-N 253.430 3.916 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Oc1ccc2c(c1)CCC2 799768646 IIGQILMIVKAVDT-LUAWRHEFSA-N 289.334 3.666 30 20 CHED CC#CCCCC(=O)OCc1cccc(SC)c1 797027610 BNHUIDCBRWPBFT-UHFFFAOYSA-N 262.374 3.645 30 20 CHED C#CCCNc1cnn(-c2ccccc2Cl)c1CC 790325824 WSBHWRIOLBAEOV-UHFFFAOYSA-N 273.767 3.523 30 20 CHED Cc1cc(CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1C#N 1461024477 UQMWHVJMFLLRNI-ILXVDBEPSA-N 268.404 3.781 30 20 CHED Cc1nc(C#N)cc(N[C@H](c2ccc(F)cc2)C(C)(C)C)n1 1162823434 KREAGTWRTNFHEG-MRXNPFEDSA-N 298.365 3.995 30 20 CHED CN(Cc1cc2ccccc2[nH]1)c1ccc(F)cc1C#N 1319018196 ZLODKHYEGJJWKE-UHFFFAOYSA-N 279.318 3.815 30 20 CHED COc1ccc(C#N)cc1CN(C)CCC1CCCCC1 1167273510 JJNCUXSWXLKQPN-UHFFFAOYSA-N 286.419 3.969 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)CC1CCCC1 1474430767 PBALVTIYHLJHDJ-LBPRGKRZSA-N 258.365 3.948 30 20 CHED C(=NNc1ccccc1)c1ccccc1N1CCCC1 1318298740 QNUGITKSWQFNBB-UHFFFAOYSA-N 265.360 3.733 30 20 CHED Cc1nc(C#N)cc(NC[C@@H]2CCCC[C@H]2C(C)(C)C)n1 1162352282 YGYSOGMKSNFZHP-DZGCQCFKSA-N 286.423 3.921 30 20 CHED N#Cc1ccc(NN=Cc2ccccc2N2CCCC2)cc1 1317876826 DQEFENVWUCGVRX-UHFFFAOYSA-N 290.370 3.604 30 20 CHED C[C@@H]1CCCC[C@@H]1c1nnc(COc2ccccc2C#N)o1 1327012904 NYKWPTHTMOJPLB-OCCSQVGLSA-N 297.358 3.814 30 20 CHED Cc1ccc(OCCNc2c(C#N)cccc2C#N)c(C)c1 1321177198 VSSPBDMLQWXEOV-UHFFFAOYSA-N 291.354 3.538 30 20 CHED N#CCc1ccc(NCCc2ccc(F)cc2F)cc1 1323889995 WAVQUVPFANHBFR-UHFFFAOYSA-N 272.298 3.685 30 20 CHED C=C(CC)COc1ccc(C=O)cc1Br 85059282 CBGQPRUBKQKKCM-UHFFFAOYSA-N 269.138 3.607 30 20 CHED C#CCCCCC(=O)N(c1ccccc1C#N)C1CCC1 1331467595 BXSALBRYOWHHKW-UHFFFAOYSA-N 280.371 3.637 30 20 CHED COc1cccc2cc(C(C)=NOC(C)(C)C)oc12 1253788600 GKTKBLNTGMOWNX-UHFFFAOYSA-N 261.321 3.981 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cncc(Br)c1 695791458 NBOQRHXBPKXWJT-VIFPVBQESA-N 282.185 3.584 30 20 CHED C[C@H](COCC1CCCCC1)N[C@H](C)CC(C)(C)C#N 1183920076 UQZKFQFXAVGGLQ-HUUCEWRRSA-N 280.456 3.890 30 20 CHED CCCCCCCN1CCC2(CCOCC2)CC1 792934671 WSONFJSACBAPSP-UHFFFAOYSA-N 253.430 3.849 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 1338840302 ZSFGPGTVQCIGGC-HNNXBMFYSA-N 293.794 3.676 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H]1CCOc2ccccc21 1336758033 CQELIIZOLSMNTH-GOEBONIOSA-N 285.387 3.510 30 20 CHED CC(C)(C)SCCN1CCCc2cc(C#N)ccc21 1194692599 PXLSIQBRONWLOO-UHFFFAOYSA-N 274.433 3.843 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)c1ccc(F)c(F)c1 1345125556 UTHJWMIFINTGPS-QWRGUYRKSA-N 295.329 3.940 30 20 CHED C[C@@H](SCCOc1ccccc1C#N)c1cccnc1 1346896247 YRLRDCBHMVOMPW-CYBMUJFWSA-N 284.384 3.826 30 20 CHED Cc1c(C(=O)[C@@H](C#N)c2cccc(F)n2)oc2ccccc12 1344594659 GYTOZSYNIBFGKE-LBPRGKRZSA-N 294.285 3.765 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 1344446179 CYIQWKCBDIJOFL-CQSZACIVSA-N 262.328 3.788 30 20 CHED C#CCC1(C(=O)Nc2ccc(C)nc2Cl)CCCCC1 1340964346 JSPXWXIJTNDVNM-UHFFFAOYSA-N 290.794 3.956 30 20 CHED Cc1cccc2c1[C@@H](NCc1cccc(OCC#N)c1)CC2 1350955173 HBGIVUWOUBGMIW-SFHVURJKSA-N 292.382 3.675 30 20 CHED N#Cc1cccc(NC(=O)Cc2cccc(C3CC3)c2)c1 1521494162 CTXUDKMVHXDFPA-UHFFFAOYSA-N 276.339 3.617 30 20 CHED CC(C)CC[C@H](C)NC(=O)[C@H](CC#N)c1ccccc1 1521717072 MBRIALVRHFOTIX-GOEBONIOSA-N 272.392 3.625 30 20 CHED CCSc1ccccc1CC(=O)O[C@H]1CC[C@H](C#N)C1 1525006838 RZSQEUQSFSRAGO-JSGCOSHPSA-N 289.400 3.577 30 20 CHED Cc1cc(F)ccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1529379729 FMRNERLJRUOUOX-CYBMUJFWSA-N 296.345 3.839 30 20 CHED N#CCc1ccc(C(=O)O[C@H]2CCc3cc(F)ccc32)cc1 1532267601 WSGKYHDHNSXBFK-KRWDZBQOSA-N 295.313 3.736 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1cc(C(=O)O)co1 1602990920 QISAMJORIPAATH-UHFFFAOYSA-N 286.331 3.739 30 20 CHED C=CCCCCCCNC(=O)Nc1cc(C(=O)O)cs1 1602871149 VNTWZUGJCWFBGP-UHFFFAOYSA-N 296.392 3.704 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc2cc(C(=O)O)oc2c1 1609264393 NGWDOPOKMXXSKQ-INIZCTEOSA-N 288.299 3.639 30 20 CHED COc1ccccc1[C@H](C)Sc1ncc(C#N)cc1F 1472706275 PIUITBJEZLOEKC-JTQLQIEISA-N 288.347 3.954 30 20 CHED Cc1cccc(C)c1OCCOc1ccccc1C#N 11827109 TWRQDDFNAXRLLI-UHFFFAOYSA-N 267.328 3.633 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2c(F)cccc2Cl)c1 1610866439 RPRHONNCZGROFD-SNAWJCMRSA-N 294.665 3.666 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(O[C@@H](C)CC)cc2)n1 1559080502 JPPLMASCUFQGIR-LBPRGKRZSA-N 296.374 3.832 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N1CCC2(CCCC2)C1 1629922374 QHTXDGFLPCIESI-KRWDZBQOSA-N 296.414 3.552 30 20 CHED CC[C@H](Cc1ccccc1)N(CC)Cc1cccc(C#N)n1 1560662366 XHOHZZFEOUYVQA-LJQANCHMSA-N 293.414 3.796 30 20 CHED CO[C@@](C)(CN1CCC(c2ccc(C#N)cc2)CC1)C1CC1 1561026704 LEGRDFLJUHFTNE-IBGZPJMESA-N 298.430 3.553 30 20 CHED CCC1(CNC(=O)Nc2ccc(F)cc2C#N)CCCC1 1562449735 PSPDWBNHPBEJPO-UHFFFAOYSA-N 289.354 3.789 30 20 CHED Cc1ncoc1CNc1c(C#N)cnc2c(Cl)cccc12 1640502703 NVPNODIEIPNYDQ-UHFFFAOYSA-N 298.733 3.668 30 20 CHED Cc1cc(C#N)ccc1Cn1cnc(-c2ccccc2)c1 1644228007 SGZCZGMYJWJWJJ-UHFFFAOYSA-N 273.339 3.779 30 20 CHED N#Cc1ccc(CN2CCCc3cc(F)cc(F)c32)s1 1653153780 WKXPLQRYAPBCFM-UHFFFAOYSA-N 290.338 3.851 30 20 CHED Cc1c(F)ccc2c1N(CCC(C)(C)C#N)CCC2 1653920709 DSGGKFWGPYPANU-UHFFFAOYSA-N 260.356 3.827 30 20 CHED N#Cc1c2c(cn(CCCC3CCCCC3)c1=O)CCC2 1651956958 YOXAHZOIVUYDMZ-UHFFFAOYSA-N 284.403 3.569 30 20 CHED C=CCCCCCNC1(C(=O)O)CCCCCC1 1588799875 NBDNFSSIAXTLNA-UHFFFAOYSA-N 253.386 3.500 30 20 CHED Cc1ccnc(N[C@H](C)c2ccc3c(c2)CCC3)c1C#N 1651708233 UWMYJHZPDDFIBM-CYBMUJFWSA-N 277.371 3.924 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)CCC2CCCCC2)n1 1651519101 ICYZBKKFGZOJFJ-GFCCVEGCSA-N 272.396 3.818 30 20 CHED C=CCCCC(=O)Oc1cccc2c(CC(=O)O)cccc12 1588782402 DONONQQYRGTSLU-UHFFFAOYSA-N 298.338 3.729 30 20 CHED CCCCCCCNC(=O)Nc1ccc(C(=O)O)c(F)c1 1595704405 LAAPRNIFKWIQMT-UHFFFAOYSA-N 296.342 3.616 30 20 CHED CC(CCc1ccco1)=NNc1cccc(C(=O)O)c1F 1592551996 HYAZWJWCPXHESV-UHFFFAOYSA-N 290.294 3.538 30 20 CHED C=C(Cl)Cn1c(C2CC2)nnc1N(C)CC1CCCC1 1593872189 DGAGCZLQKVDUSM-UHFFFAOYSA-N 294.830 3.534 30 20 CHED C[C@H]1C/C(=C/c2ccc(C(=O)O)nc2)C(=O)c2ccccc21 1776589661 QRKMCHFPTCBGGJ-KWJWQAOWSA-N 293.322 3.553 30 20 CHED Cc1c(NN=C[C@H]2C[C@H]2c2ccccc2)cccc1C(=O)O 1776087527 HXMVLLBBGISYFM-ZBFHGGJFSA-N 294.354 3.895 30 20 CHED C=CCN(Cc1ccc(F)cc1)[C@H](C(=O)O)c1ccccc1 1776180487 XHNVHKNSJCTGRX-KRWDZBQOSA-N 299.345 3.640 30 20 CHED C=CCCCCN(C)Cc1cc(C(=O)O)sc1Cl 1776174941 JLCJQQICDGXMTH-UHFFFAOYSA-N 287.812 3.888 30 20 CHED C[C@@H]1C/C(=C/c2cncc(C(=O)O)c2)C(=O)c2ccccc21 1776589637 PTTRBYLVVBKKFW-NUBYWOLOSA-N 293.322 3.553 30 20 CHED C[C@H](CC(=O)OCc1ccc(C#N)cc1F)c1ccccc1 13158715 IMPXRHAKSSMWCY-CYBMUJFWSA-N 297.329 3.934 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1N(C)C 151390143 BFMUPBQEIHUHCU-CYBMUJFWSA-N 297.377 3.614 30 20 CHED C=CCC(CC=C)C(=O)OCc1nc(-c2ccccc2)no1 151384789 UMMHDWSEOVZNFY-UHFFFAOYSA-N 298.342 3.548 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](OC(C)(C)C)c1ccccc1 155167409 JDJMTAMZCJQAJD-DZGCQCFKSA-N 275.392 3.624 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 156266185 IPHIOBYZEXBTMK-YJBOKZPZSA-N 298.430 3.918 30 20 CHED C=C[C@H](C)NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 155843779 YNIPWOHKZVZSEH-JTQLQIEISA-N 284.334 3.556 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2csc([N+](=O)[O-])c2)c1 156696143 ROUZURDQWYWOLV-HWKANZROSA-N 289.312 3.566 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCOC2(CCCC2)C1 159803068 QGDBAPGSDICXMJ-OAHLLOKOSA-N 281.440 3.955 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccccc1 20126449 QSKFMELCYNKPCQ-ZDUSSCGKSA-N 252.317 3.762 30 20 CHED C#Cc1ccc(CN[C@@H]2CCc3ccc(C)cc32)cc1 809615866 NBTKPUSNIFAZIX-LJQANCHMSA-N 261.368 3.753 30 20 CHED C=CCNC(C)(C)Cc1ccc(Br)cc1 111253049 XFJGQVRJVRXCRT-UHFFFAOYSA-N 268.198 3.546 30 20 CHED N#Cc1cc(F)ccc1NCc1cc(F)ccc1F 113522266 WMOOYZNWYULZPV-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 228836640 XUEXLJDRXXOSAK-CQSZACIVSA-N 256.349 3.517 30 20 CHED COc1cccc([S@@](=O)CCCCC(C)(C)C#N)c1 234894342 WMMQWPSZUDCXHL-IBGZPJMESA-N 279.405 3.523 30 20 CHED C[C@H](Nc1cccc(F)c1)c1ccc(OCC#N)cc1 37202599 OWSDDVAXBPCZPX-LBPRGKRZSA-N 270.307 3.901 30 20 CHED Cc1cc(C#N)ccc1CN(C)c1ccccc1F 165471282 ZJVJRTXDGCSXMW-UHFFFAOYSA-N 254.308 3.642 30 20 CHED CCC(C#N)(CC)C(=O)N1CCCc2cc(C)ccc21 44765183 PRRYEOFKXSTQRH-UHFFFAOYSA-N 270.376 3.604 30 20 CHED Cc1cccc(CCN[C@H](C)c2ccc(C#N)cc2)c1 51668779 JUSCTNXFSOIXTL-OAHLLOKOSA-N 264.372 3.760 30 20 CHED CC(C)[C@H]1CCC[C@H](NCCc2cccc(C#N)c2)C1 466421077 JFKPHRUDCZPHEU-ROUUACIJSA-N 270.420 3.905 30 20 CHED CC(C)O[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 404688559 HPYVQIWKONMDNK-OAHLLOKOSA-N 266.429 3.596 30 20 CHED C=CCC[C@H](C)NC[C@]1(C)CCN(Cc2ccccc2)C1 309711678 JOUBCABGEWKIKP-HKUYNNGSSA-N 286.463 3.843 30 20 CHED CCCC[C@@H](C)N(C)Cc1cc(C#N)ccc1OC 312115000 OZGZKXWRQDFKDN-CYBMUJFWSA-N 260.381 3.577 30 20 CHED CC(C)[C@H](C)SCCC(=O)Nc1ccccc1C#N 79080085 BVDGYXHSCWHRIA-LBPRGKRZSA-N 276.405 3.665 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)c(Cl)c1 355095753 BVDKZBOOEHHVCR-IUODEOHRSA-N 260.768 3.586 30 20 CHED N#CC1(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCC1 332770984 RIHNQXSLIKJTLV-QLFBSQMISA-N 274.408 3.545 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(Cl)cn1 558404138 FEAVWNFYAAZYEH-UHFFFAOYSA-N 272.779 3.923 30 20 CHED C=C(CNCc1ccncc1Cl)c1ccccc1 704391002 VBLBVQWFLNDKHB-UHFFFAOYSA-N 258.752 3.538 30 20 CHED CCCCCCCS(=O)(=O)c1ccccc1F 114997920 PAEWBDWWTPZRGH-UHFFFAOYSA-N 258.358 3.570 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)C1CCC(C)CC1 58452582 ACYSFWIPYBJYBZ-UHFFFAOYSA-N 285.391 3.909 30 20 CHED Cc1occc1CN(C)[C@@H](C)c1ccc(C#N)cc1 118532708 SPBRUTQLVRAHNQ-LBPRGKRZSA-N 254.333 3.653 30 20 CHED CCCC1(CNC(=O)Nc2cccc(C#N)c2C)CC1 178588629 PGMVMKWTYXJYDU-UHFFFAOYSA-N 271.364 3.569 30 20 CHED CCN(CCCCCCCO)[C@H](C)c1ccc(C#N)cc1 173562154 FBXMYSUTONIVGT-MRXNPFEDSA-N 288.435 3.884 30 20 CHED C#CCCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 174273457 ZHNQMNJPWYPLLQ-NSHDSACASA-N 255.283 3.769 30 20 CHED CC(C)CCOCCNc1ccc(Cl)cc1C#N 52858193 UNROMQYWECRHGW-UHFFFAOYSA-N 266.772 3.686 30 20 CHED CC[C@H](C)NC(=O)[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 172418415 PFMXVGAOWNDBSO-RWMBFGLXSA-N 290.432 3.656 30 20 CHED N#Cc1ccccc1NC(=O)C[C@@H]1CCc2ccccc21 115203009 BRMKOXGATJYWMB-AWEZNQCLSA-N 276.339 3.617 30 20 CHED O=C1C(=Cc2ccc3c(c2)CCC3)C(=O)c2ccccc21 172814000 JJRAJKOPEFAKNQ-UHFFFAOYSA-N 274.319 3.638 30 20 CHED CCCN(CC#N)Cc1ncc(-c2cccc(Cl)c2)o1 118004768 VTVGNAFKHCNCSY-UHFFFAOYSA-N 289.766 3.731 30 20 CHED C[C@@H](Sc1nncn1C(C)(C)C)c1ccc(C#N)cc1 118176780 DNZUBUSJPWMJQY-LLVKDONJSA-N 286.404 3.758 30 20 CHED C=C(C)CCN1CCC(OC2CCCCC2)CC1 351856360 RJMRUGYEFVDUNW-UHFFFAOYSA-N 251.414 3.766 30 20 CHED C[C@H](NC[C@H]1CCc2ccccc21)c1ccc(C#N)cc1 174075947 OELNAXDELYFZNG-KBXCAEBGSA-N 276.383 3.939 30 20 CHED C=CC1CCN(C(=O)/C=C(\C)c2ccc(F)cc2)CC1 171882636 RLUGBHWOUWJRCQ-OUKQBFOZSA-N 273.351 3.654 30 20 CHED N#Cc1cccnc1N[C@H]1CC[C@H](Cc2ccccc2)C1 302489678 JOTGPRYJIXLOBG-WBVHZDCISA-N 277.371 3.777 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F 123838878 UMUAANUGOKMZEE-RISCZKNCSA-N 292.329 3.535 30 20 CHED CCc1ccc(N/C(N)=N/CCc2cccc(C)c2)cc1 303886878 OCMUQSWLHZDXQR-UHFFFAOYSA-N 281.403 3.527 30 20 CHED C=C(C)CN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 181253307 QQSKNCLLLFPXJW-UHFFFAOYSA-N 294.398 3.947 30 20 CHED C=CCCCC(=O)Nc1ccc(Br)c(F)c1 480908017 MSNIZMLNQCZONL-UHFFFAOYSA-N 286.144 3.883 30 20 CHED N#Cc1nc(N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)ccc1Cl 301746981 QNUPWBVSIAXVTC-JCURWCKSSA-N 295.773 3.747 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1ccc(SCC)cc1 182129886 PRBZTBGPQRGPNQ-UKRRQHHQSA-N 279.449 3.776 30 20 CHED Cc1ccc([C@@H](C)Nc2nccc(C#N)c2Cl)o1 235285297 IWNLIPCJYOUDRZ-SECBINFHSA-N 261.712 3.681 30 20 CHED CN(Cc1csc2ccccc12)C[C@@H](C#N)CCC#N 76494819 IUTGKYUYSPXRIC-CYBMUJFWSA-N 283.400 3.777 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)CCCc1ccccc1 180438944 LFMKHCBPKQQMMR-OAHLLOKOSA-N 259.393 3.680 30 20 CHED C=CCN(CCc1ccco1)[C@@H](C)c1ccc(C#N)cc1 411487471 MTQAGTYFUXWZBE-HNNXBMFYSA-N 280.371 3.943 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1cccc2ccccc12 79298131 DLUMYHCDYYLLLR-OAHLLOKOSA-N 297.398 4.000 30 20 CHED Cc1cc(C)c(CCNC(=O)c2ccc(C#N)s2)c(C)c1 502181271 QCYNBYUGOHDIPM-UHFFFAOYSA-N 298.411 3.518 30 20 CHED N#CC1(CSCCOc2cccc(F)c2)CCC1 419391121 QVXVNMCSMPPRFO-UHFFFAOYSA-N 265.353 3.632 30 20 CHED C[C@H](NCCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 180152882 MOLXABIZTBRINT-LBPRGKRZSA-N 286.325 3.730 30 20 CHED CCc1cccc(CN(CCC#N)Cc2ccco2)c1 189498789 MGULFDNGJGZQTE-UHFFFAOYSA-N 268.360 3.758 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 123217981 YKFNYGFDZNJTMG-UHFFFAOYSA-N 298.689 3.663 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CCc1c[nH]c2ccccc12 502454949 IYEPQJVQJVKEHX-SFHVURJKSA-N 297.402 3.545 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C 182249251 JZKQZXPBEMWAQU-MRXNPFEDSA-N 290.407 3.610 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Sc1ccccc1Cl 180473566 PWLVGIYJZTXJIO-LLVKDONJSA-N 283.824 3.855 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)CS[C@@H](C)c1cccs1 77960292 OXXVHVLURWINNV-FZMZJTMJSA-N 296.461 3.597 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@H]2CCCC[C@H]2C1 414534488 GLRGGPVVVZMOBJ-GASCZTMLSA-N 288.439 3.604 30 20 CHED C[C@@H](CCNC(=O)c1sccc1C#N)c1ccccc1 410224213 NHUBXGPUNMJXCZ-LBPRGKRZSA-N 284.384 3.543 30 20 CHED CCOc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1 186386105 DGCAKKDXKRLDIW-YCRREMRBSA-N 271.291 3.516 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H]2CCCC[C@H]21 501254652 SGUJJOIEHADNJU-NVXWUHKLSA-N 284.403 3.721 30 20 CHED C=C(C)[C@H](NCCCOC(C)C)c1ccc(F)c(F)c1 187766013 LADDWPCOUPVGPN-INIZCTEOSA-N 283.362 3.987 30 20 CHED CC(C)[C@@H]1OCCC[C@H]1CN[C@@H](C)c1cccc(C#N)c1 182005023 WOXVBAKQFXFKPM-WBAXXEDZSA-N 286.419 3.660 30 20 CHED N#CC1(NC(=O)c2ccc(-c3ccccc3)o2)CCCCC1 71649976 RPPIRLDFGUMERT-UHFFFAOYSA-N 294.354 3.903 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 508665522 WFTJNKDJERVGDI-NTMALXAHSA-N 285.303 3.657 30 20 CHED Cc1ccnn1-c1ccccc1NCc1ccc(C#N)s1 184305155 ATQUSMKEMVWKFT-UHFFFAOYSA-N 294.383 3.726 30 20 CHED C[C@H](N[C@H](CO)CC1CCCCC1)c1ccc(C#N)cc1 417364065 LEQNUHDXZUPIFL-KSSFIOAISA-N 286.419 3.540 30 20 CHED C=CCN(C(=O)[C@H](C)CC)c1nc2c(s1)CCCC2 78493124 FYJQUPLJNKHBPI-LLVKDONJSA-N 278.421 3.587 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)O[C@H](C)C(C)(C)C#N 130983880 RTUGSHKSPJNEFP-GFCCVEGCSA-N 284.359 3.500 30 20 CHED Cn1cc(C(=O)/C=C/c2ccc(SC(F)F)cc2)cn1 180437461 GXVWOMFBYNPGCU-QPJJXVBHSA-N 294.326 3.631 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1C[C@]1(C)CC 134286543 MHTXFMCCJRIYMF-ZBFHGGJFSA-N 264.413 3.601 30 20 CHED C=C(Cl)CNCc1ccc(SC(F)F)cc1 134750636 KEDZDPHJQLQOOF-UHFFFAOYSA-N 263.740 3.843 30 20 CHED CC(=O)c1ccc(OCc2cccc(C#N)c2F)c(C)c1 223548832 YFQKWGLZSBPDQY-UHFFFAOYSA-N 283.302 3.787 30 20 CHED Cc1ccc(C[C@@H](C)Nc2nc3c(cc2C#N)CCC3)s1 80245221 IXDWORQAFVXRDM-LLVKDONJSA-N 297.427 3.855 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1cccc(CC#N)c1 42214136 MUBOPRDGCDXGPZ-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1cccc(Cl)c1 46041453 AEKNVJFKWOBYIA-BXUZGUMPSA-N 293.798 3.592 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)s2)c(C)o1 135687865 RMPJAKPQMFZLCS-JTQLQIEISA-N 260.362 3.680 30 20 CHED CC[C@@](C)(NCc1ccc(F)c(C#N)c1)C(F)(F)F 533066981 JXKILXXAAODQOB-GFCCVEGCSA-N 274.261 3.518 30 20 CHED CCN(C(=O)c1cc(C#N)cs1)c1ccc(C)cc1C 84076564 DIPFATDQPLWGPC-UHFFFAOYSA-N 284.384 3.903 30 20 CHED CSc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1F 424321133 GSSBFWNYZZHOHO-NTZNESFSSA-N 278.396 3.890 30 20 CHED C[C@H](C#N)Nc1cc(Br)cc(C(F)(F)F)c1 83851958 VNAVWONTDQBOFI-ZCFIWIBFSA-N 293.086 3.792 30 20 CHED C=CCc1cc(CN2CCCC[C@@H]2C=C)cc(OC)c1O 426561410 VULMTHVTQSZHKI-INIZCTEOSA-N 287.403 3.670 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(F)c1 229737800 JXNYGAXAEXPLRV-GFCCVEGCSA-N 284.334 3.557 30 20 CHED C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CCC1(F)F 291080631 IBHNPTKTTICXIF-SECBINFHSA-N 270.710 3.693 30 20 CHED C=C[C@H](Cc1nc(C(C)(C)C)no1)c1ccccc1 136329798 ZYICSESCAVVARL-GFCCVEGCSA-N 256.349 3.879 30 20 CHED CC1=C[C@@H](C)C[C@H](CNCc2ccc(C#N)s2)C1 421350422 LMDRDOPHQINZHO-YPMHNXCESA-N 260.406 3.702 30 20 CHED CC(C)(C#N)CCOc1cccc2c1CCCC2=O 88152510 WGJJUXNBLZBUPJ-UHFFFAOYSA-N 257.333 3.524 30 20 CHED N#Cc1cc(Oc2ccc(Cc3ccccc3)cc2)ncn1 320588432 VGOSZSGTQUGKRK-UHFFFAOYSA-N 287.322 3.731 30 20 CHED C[C@H](C(=O)NCCCCC#N)c1ccc2ccccc2c1 84541817 YBNGXYZORNJPRB-AWEZNQCLSA-N 280.371 3.753 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 510593728 ASDQNOONXJDLAW-LSDHHAIUSA-N 264.413 3.585 30 20 CHED N#Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)s1 510316468 SJWNDKOGEYEYPA-JSGCOSHPSA-N 288.416 3.566 30 20 CHED N#Cc1cccc(CSc2ncnc3ccccc23)c1F 223538460 ANNODVVSJGBKMD-UHFFFAOYSA-N 295.342 3.933 30 20 CHED CC(C)c1ccc(CN2CCC(F)(C#N)CC2)cc1 510953721 RUAQZXFPTFOBNH-UHFFFAOYSA-N 260.356 3.638 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)C(C)(C)C1 426156428 IQOGNYIPNVABET-SNVBAGLBSA-N 291.782 3.864 30 20 CHED Cc1c(NC(=O)C(C)(C)C2CCCC2)ccc(C#N)c1C#N 421553129 DDZFQOQISRGHNJ-UHFFFAOYSA-N 295.386 3.893 30 20 CHED N#Cc1c(F)cccc1CNc1ccc2scnc2c1 427428545 PKHGAUCBLPCRHV-UHFFFAOYSA-N 283.331 3.919 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCc2c[nH]c3ccc(F)cc23)C1 337385906 CXWLSMYWTWGUNS-IUODEOHRSA-N 285.366 3.521 30 20 CHED CSc1cccc(N(C)C(=O)c2ccc(C#N)s2)c1 336097032 FPDRUNXCCSAXKY-UHFFFAOYSA-N 288.397 3.618 30 20 CHED C[C@H](N[C@H](C)[C@@H](C)O)c1ccc(-c2cccc(C#N)c2)cc1 515084462 HWGUXNIRJGBBRT-QLFBSQMISA-N 294.398 3.645 30 20 CHED Cc1cnc([C@@H](C)SCc2cccc(F)c2C#N)cn1 427691939 ZTKJDWXYFUSLKN-LLVKDONJSA-N 287.363 3.790 30 20 CHED CCN(C(=O)c1ccc(C#N)c(C)n1)c1cccc(Cl)c1 335814983 VMDBEHAQTQFPPV-UHFFFAOYSA-N 299.761 3.582 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CCC(c2cccc(N)c2)CC1 517243325 IIVGSBSABFXLGF-AWEZNQCLSA-N 286.419 3.577 30 20 CHED CCc1cc(Oc2c(C)cc(Cl)cc2C#N)nc(C)n1 420638176 JHEGORWBODQQJZ-UHFFFAOYSA-N 287.750 3.973 30 20 CHED COc1cccc([C@H](C)Nc2ncc(C#N)cc2Cl)c1 339140596 MZKHOAALPQGQAY-JTQLQIEISA-N 287.750 3.788 30 20 CHED C=CCC[C@H](C)NCc1cccc(C(F)(F)F)n1 294683662 BSSBMPROEWGVBA-JTQLQIEISA-N 258.287 3.545 30 20 CHED CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 335736565 LZTMREKCXJKYEH-UHFFFAOYSA-N 282.318 3.559 30 20 CHED C=CCCCCOc1ccc(C(=O)N2CCCC2)cc1 514925206 CKZLMCRRCUCPSV-UHFFFAOYSA-N 273.376 3.658 30 20 CHED Cc1c(C(=O)/C=C/c2ccsc2)nnn1-c1ccccc1 147687037 SGENRNKQTSQXEM-BQYQJAHWSA-N 295.367 3.533 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1=CC[C@H](C)CC1 335076525 MEZUGALLMUQNLK-KBPBESRZSA-N 282.387 3.824 30 20 CHED Cc1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1C 336510906 YTAJNLSQRZNPKL-CQSZACIVSA-N 278.355 3.917 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 436076323 JMXJLASVEIQTDA-KRWDZBQOSA-N 296.370 3.977 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 331477657 DOOVWOXQASLXET-BBWFWOEESA-N 297.402 3.534 30 20 CHED Cc1ccc(CN(CCC#N)CC(C)(C)C)cc1[N+](=O)[O-] 93101152 PSLVDJCCQYEBOI-UHFFFAOYSA-N 289.379 3.665 30 20 CHED C=CCCC(=O)Nc1ccc(C(C)C)cc1C(=O)OC 522598789 ZAYSRWIFISIVEZ-UHFFFAOYSA-N 275.348 3.501 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 528740173 PODPSHWRCMBRQB-RDJZCZTQSA-N 298.430 3.796 30 20 CHED CCOCc1cccc(Nc2nc(C)ccc2C#N)c1 342112599 JRGWVZPBDOCCOO-UHFFFAOYSA-N 267.332 3.542 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1cc(C#N)n(C)c1 343653085 DQVBWAUIVZJCNN-QAPCUYQASA-N 293.414 3.665 30 20 CHED Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@@H](C)C#N 344911924 SDLINHNSPTVHJL-INIZCTEOSA-N 292.382 3.684 30 20 CHED Cc1csc([C@@H](NCc2ccc(CC#N)cc2)C2CC2)n1 347796834 NIKDGCPHHAFPPC-INIZCTEOSA-N 297.427 3.759 30 20 CHED C[C@@H](CCC#N)CNC(C)(C)CCN1CCCCCC1 602617782 AGEDDDHILHOAPD-INIZCTEOSA-N 279.472 3.561 30 20 CHED CC(C)CC[C@H](C)NC(=O)[C@H](C#N)CCc1ccccc1 433230667 HVHGUABVZNHISV-RDJZCZTQSA-N 286.419 3.700 30 20 CHED C[C@H](CCC#N)CN[C@H]1CC(C)(C)Oc2cc(F)ccc21 602570052 GZAUENYOGPDLRF-DOMZBBRYSA-N 290.382 3.957 30 20 CHED N#Cc1ccc(C(=O)NCCCCCc2ccccc2)cc1 609015342 NAGAUTMQUREOLS-UHFFFAOYSA-N 292.382 3.701 30 20 CHED Cc1ccc2c(NCC(C)(C)CCC#N)ccnc2n1 340924480 CSKJMQALWPCVEC-UHFFFAOYSA-N 268.364 3.680 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 437155710 QOSJKUVILKVBMM-CYBMUJFWSA-N 270.357 3.501 30 20 CHED Fc1ccc(C#CCNC2(c3ccccc3)CCC2)cc1 438712211 AWTJSSYXBQTFBK-UHFFFAOYSA-N 279.358 3.846 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)c1 255387968 BTMAAUCGTOOSSA-YFHOEESVSA-N 299.333 3.640 30 20 CHED Cc1ccc(C)c(CC(=O)N(C)c2ccc(C#N)cc2F)c1 609217120 VTFOUCSDYWNJOR-UHFFFAOYSA-N 296.345 3.520 30 20 CHED Cc1csc(C2(NC[C@H](C)CCC#N)CCCC2)n1 602548937 AJMTWZHEJOFHRL-GFCCVEGCSA-N 277.437 3.750 30 20 CHED Cc1ccc(NC[C@H](C)CCC#N)cc1OCC(F)F 602489673 DELSJVKJRPIVSV-LLVKDONJSA-N 282.334 3.991 30 20 CHED C[C@@H]1CCN(Cc2ccc(CC#N)cc2)CC12CCC2 343719582 DXZAAFOWKXKJHP-OAHLLOKOSA-N 268.404 3.765 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)c2ccc(C#N)cc2)c1 602276604 XJKCZOFPNBIKMO-ZWKOTPCHSA-N 290.366 3.633 30 20 CHED CC(C)CON=Cc1cccc(OCc2ccncc2)c1 255519515 TYLQNZHDAOPLOP-UHFFFAOYSA-N 284.359 3.667 30 20 CHED Oc1ccccc1/C=N\[C@@H]1CCCN(c2cccc(F)c2)C1 255330194 DFWVHJWQEXOPJL-SDLDRHLBSA-N 298.361 3.619 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC1CCCC1 355208268 GQVMLEIZOYDISO-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccc2ccccc2c1 351646949 QLWDTMPGMMAKRX-AWEZNQCLSA-N 252.361 3.964 30 20 CHED C[C@H](CCC1CC1)NC(=O)c1cc(C#N)ccc1Cl 354764648 FDQZGTYVEBLBFW-SNVBAGLBSA-N 276.767 3.520 30 20 CHED C=CCCCCCOc1cc(C(=O)N(C)C)ccc1C 447317813 GZFDLMOCSANENE-UHFFFAOYSA-N 275.392 3.822 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(-c2ccccn2)cc1 353985393 ZWIHYOGQEURIQP-CYBMUJFWSA-N 281.359 3.835 30 20 CHED C=CCCCC[C@@H](C)NCCc1ccc(NC(C)=O)cc1 449122888 ASAZFZPKVXYHAC-OAHLLOKOSA-N 288.435 3.912 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)Cc1ccccc1C 538714713 RXJSZBAMLKITQA-GOEBONIOSA-N 274.408 3.580 30 20 CHED CCN(Cc1ccc(C#N)cc1F)c1ccccc1OC 533349349 RPPMPUQEYXFAPB-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=C(C)CCc1noc(-c2csc(-c3ccoc3)n2)n1 351619116 FNQCDNXQAQEYTL-UHFFFAOYSA-N 287.344 3.962 30 20 CHED C=CC[C@H](C)[C@H](C)NC1(c2ccc3c(c2)OCO3)CC1 538552643 UZRQAAKNJGPTBZ-STQMWFEESA-N 273.376 3.595 30 20 CHED C=CCOc1cccc(NC(=O)c2c(C3CC3)noc2C)c1 448780452 DAHLJOHAHIOAON-UHFFFAOYSA-N 298.342 3.678 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)c2c(F)cccc2Cl)C1 531570576 JCWCPMINLFQQCF-KGXJWFGYSA-N 294.757 3.596 30 20 CHED Cc1ccnc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)c1C#N 612080629 YWXMNCRSIGOGFY-DZGCQCFKSA-N 287.407 3.515 30 20 CHED CCc1cc(Sc2ccc(C#N)cc2F)nc(C)n1 359739504 ZYHDYFVVSOFKDL-UHFFFAOYSA-N 273.336 3.509 30 20 CHED C=CCOCCCOc1ccc2[nH]c(C)cc2c1F 358577143 GBTSZNYYGNATEY-UHFFFAOYSA-N 263.312 3.587 30 20 CHED CSc1ccc(NC(=O)C2(C#N)CCC2)cc1Cl 266964596 OHINNOSDPQZJCD-UHFFFAOYSA-N 280.780 3.694 30 20 CHED N#CCN(C(=O)CCCc1csc2ccccc12)C1CC1 267937315 AGBURIIAXDJRKO-UHFFFAOYSA-N 298.411 3.739 30 20 CHED C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(CC#N)cc1 612121895 SIZNLUJEEXXCQR-SWLSCSKDSA-N 296.336 3.915 30 20 CHED CC[C@H](C(=O)N[C@H](C#N)CC(C)C)C1CCC(C)CC1 613113859 ANNXIVYJSMSIDV-CKUJCDMFSA-N 278.440 3.893 30 20 CHED C=CCOc1ccc(C(=O)N(C)Cc2cccc(C)c2)cc1 353869646 UKTCFMZDYQRGBA-UHFFFAOYSA-N 295.382 3.832 30 20 CHED C=CCCC[C@H](C)NC(=O)CCn1c(C)nc2ccccc21 355771023 VPVKZEFJLMCTEQ-AWEZNQCLSA-N 299.418 3.596 30 20 CHED C[C@@H](C#N)C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 354761410 MISQJFGBARZSFB-KBPBESRZSA-N 270.376 3.536 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnn(C)c1-c1ccccc1 353154018 ZJGFEZXFBRSZQG-AWEZNQCLSA-N 298.390 3.563 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)C[C@@H](C)C#N 266922587 NFUALZTZNSZVMT-VIFPVBQESA-N 299.296 3.637 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 619450164 RGTXCMAPOYYLHQ-ZTFGCOKTSA-N 296.414 3.878 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 612406118 INUHMRQEMOADBN-HNNXBMFYSA-N 298.308 3.553 30 20 CHED Cc1noc([C@H](C)SCc2ccc(C#N)cc2Cl)n1 615161805 OLIKJBHOIRYELE-QMMMGPOBSA-N 293.779 3.898 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CSc3ccccc32)CCC1 452212461 AWBYKPIQZPSTRE-CYBMUJFWSA-N 287.428 3.739 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)NCc1ccc(C#N)cc1 457662148 NJGPATINQMAKEY-SFHVURJKSA-N 299.418 3.668 30 20 CHED Cc1cc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c(C)s1 618731405 RFGRMMTXOXFGPF-INIZCTEOSA-N 296.395 3.654 30 20 CHED N#Cc1cccc(NCc2scnc2C2CC2)c1 362642251 ISKFFVJNBXRHIY-UHFFFAOYSA-N 255.346 3.504 30 20 CHED CCc1cc(N2CCC[C@](C)(C#N)C2)c2ccccc2n1 612108720 RMRNGXVNSDFDGV-GOSISDBHSA-N 279.387 3.927 30 20 CHED N#C[C@H](NC(=O)CCC1CCC1)c1ccc(Cl)cc1 267286016 YCNDDPHIXICMJC-AWEZNQCLSA-N 276.767 3.601 30 20 CHED C=CCN(C(=O)NC[C@H](CC)CCCC)C1CC1 538958847 NESDTYPRVCMZDD-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=C(C)CCNC(=O)c1ccc(OC2CCC2)cc1Cl 452716533 IHAJKMZOGIEMBV-UHFFFAOYSA-N 293.794 3.967 30 20 CHED C=CCCN(C)C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 455211752 PLIUFXCNPRNYHJ-IAGOWNOFSA-N 286.419 3.788 30 20 CHED Cc1cccc(NCc2ccc(C#N)c(Cl)c2)n1 619746568 FPPIXWXFKXDGRV-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccc(OC)cc1)c1ccco1 457017172 YHIPEYYIGSRDPR-SFHVURJKSA-N 299.370 3.850 30 20 CHED Cc1cccc([C@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 457075256 JDBBOANZRXBWDZ-GJZGRUSLSA-N 292.382 3.848 30 20 CHED N#Cc1ccc(/C=C\c2nc(-c3ccc(F)cc3)no2)cc1 546249817 MZRFGWJGJCSNHU-YHYXMXQVSA-N 291.285 3.918 30 20 CHED C=CCC[C@H](CCC)Nc1cccc2c1OCC(=O)N2 367999639 DEIQLFGMPZZLHA-LBPRGKRZSA-N 274.364 3.564 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2nc(C)co2)c1 367593630 ICTYSOXWJSSSCE-INIZCTEOSA-N 283.331 3.528 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(OC(F)F)c1 453367571 UEPIQGQXJUMCCI-DFBGVHRSSA-N 297.345 3.672 30 20 CHED CCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H](O)c1ccccc1 279725840 VEAYJGBQXIVVIS-RANZSIQMSA-N 286.419 3.561 30 20 CHED CC[C@H](C)N(C(=O)c1ccc(CC#N)cc1)[C@H](C)CC 274334224 MEBMPBRRINMWCC-OKILXGFUSA-N 272.392 3.792 30 20 CHED CCCC[C@@H](COC)N[C@H](C)c1ccc(C#N)c(F)c1 271963190 RRMSFZIBERIJDI-DOMZBBRYSA-N 278.371 3.553 30 20 CHED C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(C#N)c1 360705883 TZLNVOSPBOLDMV-CZUORRHYSA-N 284.403 3.845 30 20 CHED C=CCC[C@H](CC)Nc1cc(C#N)ccc1OCCOC 541558477 ARTMXJNWTNDHIF-HNNXBMFYSA-N 288.391 3.740 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc(Cl)c1F)OCC 270108698 ISXWXRWSYFZTOK-LBPRGKRZSA-N 285.746 3.789 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1 366919788 DRSUTSNSNUTJMF-STEAMIEHSA-N 296.414 3.510 30 20 CHED C=CCN(C(=O)c1ccc(-n2ccc(C)n2)cc1)C(C)(C)C 622943658 LMVUKMOQKOSSDX-UHFFFAOYSA-N 297.402 3.607 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1c1ncccc1C#N 450911405 KYRVYTHTIMESHS-INIZCTEOSA-N 281.334 3.742 30 20 CHED C=CCSCCN[C@@H]1c2cc(F)ccc2C[C@@H]1C 541905566 PKORZBUFLRBKCS-NHYWBVRUSA-N 265.397 3.568 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)[C@@H]2CCCC[C@@H]12 542969163 KQIGJSLRLJGMCP-XOKHGSTOSA-N 254.377 3.569 30 20 CHED CC[C@H](NC[C@H](O)c1cccc(C)c1)c1ccc(C#N)cc1 278854558 VWOVGSXNGWFJSL-OALUTQOASA-N 294.398 3.641 30 20 CHED CC(C)(CCC#N)CNCCCc1ccccc1F 280161958 FKMAAHFCVDLYFI-UHFFFAOYSA-N 262.372 3.678 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCC[C@@H]1CCCC 467017017 ZKALQQITZJDWRT-KBPBESRZSA-N 252.402 3.563 30 20 CHED N#Cc1cccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1F 552828640 ZRJIDUJJVDXKOH-OAHLLOKOSA-N 298.336 3.826 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC[C@H](c2ccc(C)cc2C)C1 285970377 ODHUZMRBPGHYOO-YJBOKZPZSA-N 284.403 3.559 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](CC)c1ccc(F)cc1 466540428 OJCIVKTVWSOSKU-LSDHHAIUSA-N 263.356 3.790 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(F)cc3F)no2)cc1 556353036 FYYVCZNQURRFCN-UHFFFAOYSA-N 283.237 3.553 30 20 CHED Cc1csc(SCCCC2(C#N)CCOCC2)n1 280900308 DROVBABMAHSRFA-UHFFFAOYSA-N 282.434 3.644 30 20 CHED C=C[C@H](C)NC(=O)NCC(C)(C)c1cccc(Cl)c1F 469386319 OBCOPZLPPSUDEU-JTQLQIEISA-N 298.789 3.630 30 20 CHED C[C@@H](OC(=O)[C@H]1CCCC(F)(F)C1)c1ccc(C#N)cc1 281809222 GUHFDTXSHZHAIC-RISCZKNCSA-N 293.313 3.988 30 20 CHED Cc1csc(NC(=O)C[C@@H](C)C(C)C)c1C#N 288855452 PNGDRIPAPBYWPE-SECBINFHSA-N 250.367 3.549 30 20 CHED C=CCS[C@H](C)C(=O)Nc1ccc(Cl)cc1C 461240920 CZAVIPCELBUQMX-SNVBAGLBSA-N 269.797 3.895 30 20 CHED N#Cc1ccc(F)c(COC(=O)[C@@H]2CCCC(F)(F)C2)c1 281810861 GUWWIHSDAYHIFC-LLVKDONJSA-N 297.276 3.566 30 20 CHED C=CCCN(C)Cc1cc(C)c(C)cc1OC(F)F 467371919 YNCHTMRMIILHQF-UHFFFAOYSA-N 269.335 3.913 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(C(F)(F)F)cc2)no1 288940708 JKHBZCILQJQDRP-CYBMUJFWSA-N 295.264 3.947 30 20 CHED CCC(=O)c1cccc(C#N)c1Oc1cc(CC)nc(C)n1 631473863 XVRZDRBKAFWSHK-UHFFFAOYSA-N 295.342 3.604 30 20 CHED CCCCOc1ccc(C(=O)/C=C/c2csnn2)cc1 284072688 KDPGDZPGUMRNGY-RMKNXTFCSA-N 288.372 3.613 30 20 CHED Cc1cc(Cl)c2ncc(C#N)c(N(C)C[C@H](C)C#N)c2c1 282839224 MMIQQVGGQUDIBV-LLVKDONJSA-N 298.777 3.664 30 20 CHED N#CCc1ccccc1NC(=O)CCCc1ccccc1 559238646 GFPZDLLZQCPQMZ-UHFFFAOYSA-N 278.355 3.714 30 20 CHED CC(C)c1nc2cc(NC[C@H](C#N)CCC#N)ccc2o1 558506697 IQQAOGURNKCVDY-LBPRGKRZSA-N 282.347 3.807 30 20 CHED C=C(C)CCc1noc(Cc2ccc(C)c(C)c2)n1 551959944 WTNZPSXBRZBCBJ-UHFFFAOYSA-N 256.349 3.786 30 20 CHED C[C@H](SCc1cc(F)ccc1C#N)C(=O)OC(C)(C)C 479720188 NZGUFAGNRBPXLU-JTQLQIEISA-N 295.379 3.661 30 20 CHED C=CCCCCNC(=O)CCc1cc(C)cc(C)c1 471681013 XMVMSIHPDYZIRP-UHFFFAOYSA-N 259.393 3.709 30 20 CHED C=C(CNc1cc(C#N)ccc1C(C)=O)c1ccccc1 808073587 NQSKUPPHBPMEJA-UHFFFAOYSA-N 276.339 3.886 30 20 CHED C=C(CNC(=O)[C@H](C)c1ccc(C)o1)c1ccccc1 805250398 RGXAHLRLBAGXFX-CQSZACIVSA-N 269.344 3.521 30 20 CHED C#C[C@H](C)NCc1ccc(N(C)c2ccccc2)cc1 809683022 MEYPMWBGZRJRCQ-HNNXBMFYSA-N 264.372 3.566 30 20 CHED C=CCCN(C)C(=O)CCc1ccc2ccccc2c1O 295150547 BOFRJYQOSLQBSH-UHFFFAOYSA-N 283.371 3.513 30 20 CHED C#Cc1cncc(C(=O)N(CC)[C@@H](CC)c2ccccc2)c1 806673361 GEVFYHUMTYDMAE-SFHVURJKSA-N 292.382 3.676 30 20 CHED C#CCC(C)(C)c1nc(Cc2cccc(F)c2Cl)no1 809412782 ISDHTVFKMZCHKL-UHFFFAOYSA-N 292.741 3.754 30 20 CHED O=C(/C=C/c1cnccn1)c1cc(Cl)ccc1Cl 809152924 XTXYKOJVSRFQSH-DUXPYHPUSA-N 279.126 3.680 30 20 CHED CC1CCC(=CC(=O)NCC(C)(C)CCC#N)CC1 807722180 FQXXKGHNZBDOEF-UHFFFAOYSA-N 262.397 3.569 30 20 CHED C=CCCCN1CCC(CCN2CCCC[C@@H]2C)CC1 476987789 RLBRIFMMZGJTRR-KRWDZBQOSA-N 278.484 3.929 30 20 CHED C#C[C@@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)C(C)(C)C 807884863 ZLKYGGRZQVHYJH-CQSZACIVSA-N 288.778 3.599 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N(CC)CC1CC1 568816826 UPOAEEDUMIFQHJ-UHFFFAOYSA-N 296.418 3.676 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)[C@H](C)CCCC)CC1 567273094 XETORJBXHCEYQD-CVEARBPZSA-N 266.473 3.831 30 20 CHED C=C[C@](C)(O)CC(=O)N(CCCC)[C@H](C)CCCC 647430238 XYCSJOWYGDKEFL-ZBFHGGJFSA-N 269.429 3.521 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl 297647776 DUSZVKMWXARKRN-UHFFFAOYSA-N 282.727 3.789 30 20 CHED CCCCOc1ccccc1NC[C@H](C#N)CCC#N 567701567 FSFMYLVLYMUIJU-AWEZNQCLSA-N 271.364 3.721 30 20 CHED N#Cc1ccc(C(=O)NC[C@H]2CCCCC(F)(F)C2)cc1 298186545 AQZRIKBFGWMQFW-ZDUSSCGKSA-N 292.329 3.504 30 20 CHED C[C@@H]1CC[C@H](C=NNc2oc(C(C)(C)C)nc2C#N)C1 800811542 YLSJTGHEWGVEFL-MNOVXSKESA-N 274.368 3.678 30 20 CHED N#C[C@@]1(C(=O)N(Cc2ccccc2)C2CC2)CC12CCCC2 297689759 MAZSCNGWFHBPQA-LJQANCHMSA-N 294.398 3.652 30 20 CHED O=C1/C(=C/c2cccs2)Cc2nc(Cl)ccc21 806578012 KHSOMVAEBSSAAH-SOFGYWHQSA-N 261.733 3.619 30 20 CHED N#Cc1ccc(/C=C\c2ccnc(Cl)c2Cl)nc1 806567319 VGRGHFYMCBLDCU-RQOWECAXSA-N 276.126 3.825 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@@H]1C(C)C 806005266 WPAAGXYOXMYRLB-OAHLLOKOSA-N 266.429 3.953 30 20 CHED C=C(C)CNC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 565325763 QILATMKENKODAE-LBPRGKRZSA-N 286.350 3.915 30 20 CHED CCCc1nc(C)c(CNc2ccc(F)cc2C#N)o1 488734318 NAYDGAILYUMEGX-UHFFFAOYSA-N 273.311 3.558 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]([C@H](C)CC)C(F)(F)F 489088271 BBNUPPLOAQXSPK-IJLUTSLNSA-N 292.345 3.714 30 20 CHED Cc1cc(C)c(NN=Cc2cn(C)nc2C(F)F)c(C)c1 812226626 PQJKRENJTUTHJI-UHFFFAOYSA-N 292.333 3.729 30 20 CHED CCC(C=Nn1c(C)nc2ccccc2c1=O)(CC)CC 814700719 BNDSOAKONKHWOR-UHFFFAOYSA-N 285.391 3.755 30 20 CHED C#CCCCCNc1ncc(C)c(-c2ccccc2F)n1 814860706 KFFBSTAYUYKNCX-UHFFFAOYSA-N 283.350 3.807 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)CCc1ccccc1 812389408 IARHGQUUXVEKAW-ITRAFESCSA-N 283.371 3.841 30 20 CHED Cc1cc(C)c(C(=O)O)cc1C=NOCc1ccccc1 814792503 SMHVBWIRVNXINH-UHFFFAOYSA-N 283.327 3.552 30 20 CHED C=CCOCCN1CC[C@H](C)Sc2ccccc21 574102801 JMQJNTVSVHEOSY-ZDUSSCGKSA-N 263.406 3.580 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(C#N)s1 487768959 DNUYTBRDHUDNSO-ZYHUDNBSSA-N 276.405 3.564 30 20 CHED CCC(CC)CNN=Cc1ncc(C(C)C)s1 814906460 WDDVZCFRYSDGPD-UHFFFAOYSA-N 253.415 3.626 30 20 CHED C[C@H](c1ccc(C(F)(F)F)cc1)N1CC(C)(C#N)C1 578956827 YEAKNLVPYJEUDU-SNVBAGLBSA-N 268.282 3.612 30 20 CHED C=C(CNC(=O)c1cc[nH]c1C(C)C)c1ccccc1 488915415 VTYWWUMMXZLJDP-UHFFFAOYSA-N 268.360 3.581 30 20 CHED O=c1[nH]ccc2cc(NN=C3CC[C@H]3C3CCC3)ccc12 814923815 BTPOXRNIINJHBZ-AWEZNQCLSA-N 281.359 3.506 30 20 CHED C=CCCCCCCCNC(=O)C[C@@H]1CCC(=O)[C@@H]1C 811590150 RAXAYMSEMZHUAA-CABCVRRESA-N 279.424 3.635 30 20 CHED C=CCCCC(=O)Nc1sc(C)c(CC)c1C#N 481466838 RWABYIRDZRZESN-UHFFFAOYSA-N 262.378 3.785 30 20 CHED C[C@@H]1[C@@H](CNCc2ccc(C#N)s2)CCC[C@H]1C 481825833 SLYBFOZLKGBDFW-FRRDWIJNSA-N 262.422 3.782 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)CC(C)(C)C1 572652963 VRXQONRUKMEQLX-NSHDSACASA-N 289.354 3.597 30 20 CHED C[C@@H]1CCN(c2cc(Cl)ccc2C#N)CC1(F)F 491542613 DRDFRLNCKJVXAZ-SECBINFHSA-N 270.710 3.693 30 20 CHED COc1ccc(C=NNc2cc(C)cc(C)c2)cc1F 725803675 FKZCSUIHJYRZJQ-UHFFFAOYSA-N 272.323 3.897 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(C3CCCC3)n2CC)C1 669097422 UPOFAJOTBVMQHU-CQSZACIVSA-N 288.439 3.748 30 20 CHED C=CCCN1CCO[C@H](c2cccc(Cl)c2)[C@H]1C 661800651 XTFNIXCDZLMJAV-DOMZBBRYSA-N 265.784 3.678 30 20 CHED C[C@]1(CCNCc2ccc(C#N)cc2)CC1(Cl)Cl 824963989 GVJHLWYRBUOSEZ-ZDUSSCGKSA-N 283.202 3.622 30 20 CHED C=C(C)CN=c1[nH]c(-c2ccc(OC(F)F)cc2)cs1 589631607 HREXHYCUCHVFGL-UHFFFAOYSA-N 296.342 3.821 30 20 CHED C=CCOc1cccc(/C=C/C(=O)c2ccc(O)c(F)c2)c1 728438177 BOEBXVHFTDCVCM-SOFGYWHQSA-N 298.313 3.992 30 20 CHED C=CCC1(CNC(=O)C2(C)CC(F)(F)C2)CCCC1 823404193 BADQBGBDGGKCED-UHFFFAOYSA-N 271.351 3.675 30 20 CHED N#CCC[C@H](C#N)CNCCc1ccc(Cl)c(Cl)c1 905826851 YDEJHZBVRJYFIV-GFCCVEGCSA-N 296.201 3.569 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1c2ccccc2O[C@@H]1C 664912603 LTMXPOHACQVQHU-DOMZBBRYSA-N 288.391 3.553 30 20 CHED Cc1ccc(NC(=S)Nc2ccc(F)c(C#N)c2)cc1 728175798 CWVXDPNABWEIEA-UHFFFAOYSA-N 285.347 3.815 30 20 CHED C=CCN(C(=O)[C@H](CC)OC1CCCC1)c1ccccc1 497575380 RZMUDCYENGYCCJ-KRWDZBQOSA-N 287.403 3.943 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1CC2CCC1CC2 498440804 KSTVWOHSBODXNT-VMBOVVBDSA-N 287.403 3.663 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 908682950 APPRLIGRFNCYSN-AWEZNQCLSA-N 281.739 3.579 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)s1 731155770 SIVFSDHJMJIMFE-VOTSOKGWSA-N 286.352 3.935 30 20 CHED CC(C)COc1ccc(/C=C\C(=O)c2ncco2)cc1 901520049 UVRDPDXTMUQKMA-YVMONPNESA-N 271.316 3.606 30 20 CHED CC[C@@H](NC[C@@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1 902792801 DKIKGEQTLBJICX-PKOBYXMFSA-N 299.462 3.719 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 839035520 YGUNWAFYCYLKLI-SRVKXCTJSA-N 276.298 3.700 30 20 CHED CCC/C=C\C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 735214258 OZCVNHUBDVCVOG-DOGVGXBMSA-N 288.347 3.968 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)O)c1 909112773 LTSJOZJQKVHHSH-UHFFFAOYSA-N 281.739 3.579 30 20 CHED C=CC(C)(C)C(=O)O[C@H]1CCCc2nc(C)sc21 835156676 OFWBAQJDGSGCDH-NSHDSACASA-N 265.378 3.584 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccccc1F 588489121 WQLGDTOUDVTDRM-SREVYHEPSA-N 262.305 3.792 30 20 CHED C#CCC[C@H](C)OC(=O)CCC(=O)c1cc(C)ccc1C 839035151 WJKHISHFJYRTDL-HNNXBMFYSA-N 286.371 3.611 30 20 CHED C=CCC1(NC(=O)NC2CCC(F)(F)CC2)CCCC1 664545952 GILAWVKNGOFENZ-UHFFFAOYSA-N 286.366 3.752 30 20 CHED CCCC[C@H](CCC)OC(=O)COc1cccc(C#N)c1 730296787 BZFHGBUWSMGFRT-HNNXBMFYSA-N 289.375 3.839 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 835509022 OIHQFIXOZMJXLK-CQSZACIVSA-N 293.313 3.825 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(F)c(Cl)cc2F)C1 839052437 GPQXDPJCQOUFTE-BDAKNGLRSA-N 299.704 3.857 30 20 CHED N#CCc1cccc(NC(=O)C=C2CCCCC2)c1 837071884 MWQMSEUXMLWPTC-UHFFFAOYSA-N 254.333 3.582 30 20 CHED Cc1cc(C(=O)/C=C\c2nc(C)c(C)[nH]2)c(C)s1 901431316 SGBVPHGQPCQZBV-WAYWQWQTSA-N 260.362 3.601 30 20 CHED C[C@@H](CCC#N)Sc1nc(O)cc(-c2ccccc2)n1 901619383 QBKOMXKTPLIQIN-NSHDSACASA-N 285.372 3.634 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C#CC(C)(C)C)C2CC2)o1 837341091 SROSRFFBFZCGBH-CZUORRHYSA-N 299.414 3.944 30 20 CHED C#CCC(C)(C)C(=O)NCCc1ccccc1SCC 830917168 YFYSKPFJSWAMTE-UHFFFAOYSA-N 289.444 3.507 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)C1CCCCC1 835010359 YPPBZWGBFODAFK-UHFFFAOYSA-N 278.327 3.892 30 20 CHED C=CCN(Cc1cncc(OC)c1)CC1CCCCC1 584492967 ANYGSFGOQILIIJ-UHFFFAOYSA-N 274.408 3.659 30 20 CHED C=C(Cl)CN1CCCC[C@H]1c1ccccc1OC 730062103 JBMMNCSRNPNTLT-AWEZNQCLSA-N 265.784 3.975 30 20 CHED CC[C@@H](NC(=S)N(CC)C[C@H](C)C#N)c1cccs1 734374860 OJCPJNCJSYKEND-VXGBXAGGSA-N 295.477 3.555 30 20 CHED Cc1cccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1Cl 839053388 JHUUNADFSIYKMT-NEPJUHHUSA-N 277.751 3.888 30 20 CHED N#CCC1(CSc2nnc(-c3ccccc3)o2)CC1 594881258 LVNODJAIDXNQJY-UHFFFAOYSA-N 271.345 3.523 30 20 CHED CC[C@H](C)[C@H](C)NC1CCN(Cc2cccc(C#N)c2)CC1 593701935 IBERCYHKRRHAEN-HOTGVXAUSA-N 299.462 3.547 30 20 CHED N#Cc1ccc(-c2cccc(OC(F)(F)F)c2)cc1O 65341649 IYNFVPGKIJAOLJ-UHFFFAOYSA-N 279.217 3.829 30 20 CHED C[C@@H]1CN(c2nc(C#N)c(Cl)s2)[C@@H]2CCCC[C@H]12 596190625 UVLMQJMFBGREOJ-FXPVBKGRSA-N 281.812 3.683 30 20 CHED C=C(Cl)COC(=O)c1cc2ccccc2cc1OC 916610048 OFRJKZUJVHNRIR-UHFFFAOYSA-N 276.719 3.758 30 20 CHED CC(=NOCc1cccnc1)c1ccc(F)c(Cl)c1 746587246 KOHLYVIHVODNJI-UHFFFAOYSA-N 278.714 3.815 30 20 CHED CC(=NNc1oc(CC(C)C)nc1C#N)c1ccsc1 749104065 JCXQAGHXCKTTQG-UHFFFAOYSA-N 288.376 3.642 30 20 CHED C=CCN(C)C(=O)Nc1ccc(N(CCC)CCC)cc1 844799838 LUJKTMOXTPOGDS-UHFFFAOYSA-N 289.423 3.963 30 20 CHED C=CCCOCCNC(=O)Nc1c(C)cc(C)cc1Cl 677483633 UUQFEJHFWSUNBV-UHFFFAOYSA-N 296.798 3.671 30 20 CHED C[C@@H](CCNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 595478463 DFDWPCZVWHHHLM-JKSUJKDBSA-N 299.418 3.515 30 20 CHED C=CCN(Cn1c(=S)n(C)c2ccccc21)C(C)C 917481691 VSLJFGXRXYOGOO-UHFFFAOYSA-N 275.421 3.563 30 20 CHED C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@H](CC#N)C1 595613426 CQAMJACIQONTEP-CHWSQXEVSA-N 294.345 3.975 30 20 CHED CCC(C=Nn1c(S)nnc1-c1ccccc1F)CC 916320060 XSTVJPAGPDECOA-UHFFFAOYSA-N 292.383 3.643 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 915339832 MDGYHZHGHVEFGM-FXXCCUJSSA-N 294.398 3.614 30 20 CHED CC(C)(C#N)CNC(=O)CCc1c(Cl)cccc1Cl 594341511 ORXXTKXDEDCENJ-UHFFFAOYSA-N 299.201 3.592 30 20 CHED CC(C)O[C@H]1C[C@@H](/N=C\c2c(O)ccc3ccccc23)C1 840709976 GYCKHNOSERYCDW-GMMNJOFWSA-N 283.371 3.920 30 20 CHED C=C(C)CN(C)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1 683213745 KLQMBXLQUDYWGB-UHFFFAOYSA-N 293.235 3.632 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1ncccn1 841638240 ABWCALBFJYYJDD-UHFFFAOYSA-N 268.364 3.745 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC1(C)C 594040267 YWEBXPCCFPXHIX-YOEHRIQHSA-N 298.430 3.679 30 20 CHED CCCCCC[C@H](C)CC(=O)N(C)[C@@H](C#N)CC 847168674 PNHAJEXNHNXIFZ-UONOGXRCSA-N 252.402 3.744 30 20 CHED CC(C)c1nn(C)c(Cl)c1C=NNc1ccccc1F 915957880 ACZCWZXOJPYYQJ-UHFFFAOYSA-N 294.761 3.782 30 20 CHED C[C@@H]1CC(=NNc2ncnc3ccsc23)C[C@@H](C)C1 747762269 AKBSXQBENBOYKZ-UWVGGRQHSA-N 274.393 3.915 30 20 CHED C=CCN(C(=O)CCc1ccc(OC(F)F)cc1)C(C)C 915155212 JEYVYXYOBSKCTL-UHFFFAOYSA-N 297.345 3.644 30 20 CHED CCCCCCC[C@@H](C)CNc1ccc2nncn2n1 917523347 QCNUQZJZKAUVCQ-CYBMUJFWSA-N 275.400 3.533 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)C#Cc2ccccc2)c(C)c1 747355213 KPPKUGKTRCUWNN-QGZVFWFLSA-N 291.394 3.875 30 20 CHED C=CCCSCCN[C@@H](CCC)c1ccccn1 595059448 OLSYNSTUZSTUHD-AWEZNQCLSA-N 264.438 3.822 30 20 CHED CCCCC[C@@H](C)CC(=O)N[C@H](C#N)CC(C)C 742617539 LYRNNRUVPXAKIB-KGLIPLIRSA-N 252.402 3.647 30 20 CHED N#C[C@H](C(=O)C[C@@H]1C=CCC1)c1nc(C2CC2)cs1 842938630 OFURQHAQCZTVKV-ZYHUDNBSSA-N 272.373 3.553 30 20 CHED N#C[C@@H](C(=O)CCC1CCC1)c1nc(C2CC2)cs1 842941698 SUPHPXMQNPZWEA-LBPRGKRZSA-N 274.389 3.777 30 20 CHED COCC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccc(C)o1 926110027 PBTGERGBIFNLNW-TZMCWYRMSA-N 278.396 3.584 30 20 CHED C=C[C@H](C)ONC(=O)c1ccc(Cl)cc1SCC 846549440 NQAYQOXMARIORE-VIFPVBQESA-N 285.796 3.688 30 20 CHED N#CCc1cccc(C(=O)OC2(C3CCCC3)CC2)c1 848016884 JINNXNREJWZEPY-UHFFFAOYSA-N 269.344 3.632 30 20 CHED CCC(C)(C)CC(=O)OCc1ccc(C#N)cc1C 748905522 AKEWZMFWCBKZOM-UHFFFAOYSA-N 259.349 3.736 30 20 CHED C[C@H](c1ccccc1Cl)N(C)C(=O)C#Cc1ccccc1 747355328 OSGORCCJOSBXIB-CQSZACIVSA-N 297.785 3.911 30 20 CHED C#C[C@H](NC(=O)C1CC2(CCC2)C1)c1ccc(Cl)cc1 843604537 NOPQBFXTMGKPAJ-HNNXBMFYSA-N 287.790 3.711 30 20 CHED C=C(C)CONC(=O)Nc1cccc(C(F)(F)F)c1C 844559395 HYKZGWCDVHORMS-UHFFFAOYSA-N 288.269 3.643 30 20 CHED C#CCN(C(=O)Nc1ccc(-c2nccs2)cc1)C(C)C 929330646 MMYNQPUWOBQGGA-UHFFFAOYSA-N 299.399 3.686 30 20 CHED Cc1cccc2c1[C@@H](NCc1ccc(C#N)c(F)c1)CC2 926549160 DKANYYANZOUCDM-KRWDZBQOSA-N 280.346 3.783 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2cccc(F)c2o1 684938779 HLSDRWJFILNJEJ-NSHDSACASA-N 261.296 3.656 30 20 CHED C=CCCCNC(=O)N[C@@H](C)c1c(C)cccc1C 684120945 REDQMXCLNKVJSL-AWEZNQCLSA-N 260.381 3.630 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 753422523 XOYVCCLIBYMZTH-FROQITRMSA-N 297.276 3.954 30 20 CHED COc1ccccc1C1(CN[C@@H](C)CC(C)(C)C#N)CC1 924885739 JJBIQZORXMFPTH-AWEZNQCLSA-N 286.419 3.645 30 20 CHED C/C(=C/c1ccco1)C(=O)O[C@@H](C)CC(C)(C)C#N 851205994 NLESTLSERTUTHI-KGTBHZDVSA-N 261.321 3.554 30 20 CHED Cc1ccc(C(=O)OC[C@H](C#N)Cc2ccccc2)c(C)c1 750784211 NQFREGLQDMMZCL-KRWDZBQOSA-N 293.366 3.843 30 20 CHED CC1(C)CCC[C@H](C=NNc2nccnc2Cl)C1 752733740 ISEMYBRARVWOQG-JTQLQIEISA-N 266.776 3.744 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)O[C@H](C)CC(C)(C)C#N 851206460 SKRXVQZBAHJTOE-GFCCVEGCSA-N 288.391 3.999 30 20 CHED CCCC[C@H](C(=O)[C@@H](C#N)c1ccccn1)C(C)C 857010376 LYCBRGLLBJRXRB-KBPBESRZSA-N 258.365 3.720 30 20 CHED CCC(=NNc1ccc(C)c(F)c1)C1CCOCC1 853438506 FARQAFDVIQFURK-UHFFFAOYSA-N 264.344 3.739 30 20 CHED CO[C@H](C=NNc1cccc(Cl)c1Cl)C1CC1 853357623 WVVDULSOCBYDAE-LLVKDONJSA-N 273.163 3.816 30 20 CHED C#CCOc1ccc(CN[C@H](C)CCCC(F)(F)F)cc1 755223421 MNOBINQITCRPAZ-CYBMUJFWSA-N 299.336 3.909 30 20 CHED C#CC[C@H](N[C@@H](C)c1ccc(F)cc1O)c1ccccc1 756774212 ANIAUGWQVIPTOV-GUYCJALGSA-N 283.346 3.947 30 20 CHED Cc1cc(C)c([C@H](C)NCCc2ccc(C#N)cc2)c(O)c1 850488339 MCWPPULENMYQKI-HNNXBMFYSA-N 294.398 3.774 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(N(C)C)cc2)C1 854166362 TXLMRKQSVPNAND-AWEZNQCLSA-N 287.407 3.573 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)Cc2ccc(F)cc21 755598853 LCQGSMSIIFOJMP-JYOAFUTRSA-N 274.241 3.926 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@H]1C(C)(C)C 931991190 VANIAYJQJGQLGP-HNNXBMFYSA-N 270.376 3.517 30 20 CHED C#CC[C@@H](Nc1ccc([N+](=O)[O-])s1)c1ccccc1 756953188 ITXNEDGWIICQAO-GFCCVEGCSA-N 272.329 3.833 30 20 CHED CCCCCCCNC(=O)N[C@H](C)c1nc(C)cs1 858111401 DXSMJXAOOJYNTC-GFCCVEGCSA-N 283.441 3.782 30 20 CHED Cc1oc2ccccc2c1C=NNc1nccnc1Cl 758111289 VWFQNZOYJGXXPH-UHFFFAOYSA-N 286.722 3.631 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CCC[C@@H]1C(C)C 756901287 NRGRXHBNARFSRJ-GFCCVEGCSA-N 290.363 3.617 30 20 CHED C[C@H](c1cccnc1)N(C)CCCCC1(C#N)CCC1 930117995 AHGFLRASYVGFJI-OAHLLOKOSA-N 271.408 3.939 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCn2cccc2C1 931290350 LUDNUNMCFVRWGG-UHFFFAOYSA-N 295.386 3.654 30 20 CHED CCC(=NNCC(F)(F)F)c1cccc(Cl)c1F 769824262 GZQAYFRXEGFNOI-UHFFFAOYSA-N 282.668 3.745 30 20 CHED C#CCOc1ccccc1-c1noc(C[C@H](C)CCC)n1 761992466 UAEKFFGLRLHTBB-CYBMUJFWSA-N 284.359 3.727 30 20 CHED C=CCN(Cc1cccs1)Cc1c(O)cccc1OC 768197184 IHWWOZMJGPTGLV-UHFFFAOYSA-N 289.400 3.651 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2cccc(CC)c2)c1 766401374 YJQYZKZOJBDSPH-UHFFFAOYSA-N 278.355 3.899 30 20 CHED C=C(Cl)CNC(=O)N1CCC[C@@H]1CCC1CCCC1 767951028 IUSUBOPLOYUMFI-CQSZACIVSA-N 284.831 3.883 30 20 CHED N#Cc1cc(F)ccc1CSCC[C@H]1CCCC1=O 863393982 XMKRNXBZRJVXNJ-LLVKDONJSA-N 277.364 3.690 30 20 CHED COc1ccc2oc(C)c(C(=O)OCC3(C#N)CCC3)c2c1 768104773 AEKOJHDJUGIWKC-UHFFFAOYSA-N 299.326 3.601 30 20 CHED CCO[C@H]1CCCC1=NNc1ncc(Cl)cc1Cl 766431577 HWXVJQYMKKPPQZ-NSHDSACASA-N 288.178 3.745 30 20 CHED CC1(C)CCC(C(=O)OCc2ccc(C#N)cc2)CC1 768689119 DZPGERFVZNRLIM-UHFFFAOYSA-N 271.360 3.818 30 20 CHED C#CCOc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1 768717930 BLEFZOREBMNMFJ-UHFFFAOYSA-N 299.370 3.575 30 20 CHED CCc1noc(C)c1C(C)=NN[C@H](C)c1ccccc1 769790271 ADVPOWJYWWCCHX-LLVKDONJSA-N 271.364 3.620 30 20 CHED C#CCCCSc1ncnc2sc(C)c(C)c12 766284693 OHQFRQWHCPEIJQ-UHFFFAOYSA-N 262.403 3.814 30 20 CHED C=CC[C@@H](N[C@H](C)c1cscn1)c1ccncc1 768103579 HFJYEGIJFDKDMJ-DGCLKSJQSA-N 259.378 3.506 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C(C)(C)C1CCCCC1 766800920 KPSIZDLEZHZZOY-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnn(-c2ccccc2)c1C 879227534 DWMRHECLDWFOKW-UHFFFAOYSA-N 283.375 3.722 30 20 CHED C#CCCc1noc(-c2csc(-c3ccccc3C)n2)n1 762008372 BXTOIVVJRCJVQV-UHFFFAOYSA-N 295.367 3.734 30 20 CHED CC(CCOCc1ccccc1)=NN[C@H](C)C(F)(F)F 872380653 OFYLHJUMVLNNDI-GFCCVEGCSA-N 288.313 3.510 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCc2ccc(OCC)cc2C1 1118155177 NDFGRUWOGWZNDH-UHFFFAOYSA-N 287.403 3.572 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1cccc(SC)c1C 879107990 GDDJMOVWYUWFKF-OAHLLOKOSA-N 276.405 3.640 30 20 CHED CC(C)Oc1cccc(C=NNCc2ccc(F)cc2)c1 1116289524 ZBQRXAUHWPRYKH-UHFFFAOYSA-N 286.350 3.737 30 20 CHED CCC(CC)CNN=C(C)CCc1n[nH]c2ccccc12 774470562 KAKVGIKNORJSQT-UHFFFAOYSA-N 286.423 3.897 30 20 CHED C=C(C)CN(C)C(=O)/C=C/c1ccccc1O[C@@H](C)CC 778123679 XIDATIKGZXGZDB-RUMSDORHSA-N 287.403 3.912 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(CCCCC)cc1 770057112 MPHROCTYGVZUIK-AWEZNQCLSA-N 272.392 3.905 30 20 CHED C[C@@H](CCC#N)CN[C@@H]1CCc2ccc(Cl)cc21 877659844 FAIJMSYLAPZGBE-XHDPSFHLSA-N 262.784 3.857 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CC[C@@](O)(CC)C1 779535398 IBHIJSKBOWWTHQ-WBVHZDCISA-N 298.471 3.539 30 20 CHED C#CCCCCCC(=O)NCc1ccc(OC)c(Cl)c1 779934177 BXUVUAXOGCTBQJ-UHFFFAOYSA-N 293.794 3.549 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc(C(C)(C)C)nn2)o1 1116090152 IQFFGYLOBKSIED-YPMHNXCESA-N 298.390 3.937 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)c2ccncc2CC)c1O 773146373 AAZWZDZBDXBGNK-RQZLXBNYSA-N 298.386 3.928 30 20 CHED C=C(Cl)COC(=O)[C@H](C)c1cn(C)c2ccccc12 772846441 BWCHCIGGEDDXBS-LLVKDONJSA-N 277.751 3.578 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CC[C@](C)(O)C1 775539456 MFAQEFDCDGZRPW-WBVHZDCISA-N 283.456 3.747 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cccnc1Cl 776190396 VBEMPUWJMZJUQH-AATRIKPKSA-N 272.735 3.589 30 20 CHED CC(C)c1nccnc1NN=C[C@@H]1CCC[C@@H](C)C1 773091468 QPIQTNQKCXBIIU-CHWSQXEVSA-N 260.385 3.824 30 20 CHED Oc1ccc(C=NNc2cc(Cl)ccn2)cc1Cl 777905284 FUFRNGCKPROVRZ-UHFFFAOYSA-N 282.130 3.540 30 20 CHED C#CCCCCCC(=O)NC[C@@H](C)Sc1ccccc1 779925833 PQMUDQMFSJQNML-OAHLLOKOSA-N 289.444 3.867 30 20 CHED CCc1ccsc1C(=O)OCc1cccc(C#N)c1F 774925522 LFNXFTDOKRBXAO-UHFFFAOYSA-N 289.331 3.678 30 20 CHED C=C(C)CCOC(=O)[C@@H]1CCCc2sccc21 771615422 FRXVBMZPRGISBX-GFCCVEGCSA-N 250.363 3.677 30 20 CHED CCC(=NNc1ccnc(F)c1)c1cc(C)ccc1OC 781133519 XJCQSMJCOLDUJU-UHFFFAOYSA-N 287.338 3.764 30 20 CHED COc1ccc(NN=C2c3cccc(F)c3CC[C@H]2C)nc1 780265700 OQXSDNGACUNSFU-LLVKDONJSA-N 299.349 3.628 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)C1CCC(F)(F)CC1 788694753 RIQRTDWOSSFGDF-UHFFFAOYSA-N 296.317 3.998 30 20 CHED C=CCCN(C[C@@H]1CC[C@@H](C)O1)OCc1ccccc1 789424121 VBDMPQNZZWELGV-WBVHZDCISA-N 275.392 3.564 30 20 CHED CC(=NNc1ccc(C#N)c(Cl)c1)c1cncc(F)c1 783876407 UTPJMFKZUGJTNM-UHFFFAOYSA-N 288.713 3.582 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1cccc(C(C)C)c1 1127787514 SDXCVGSQBIOJPC-UHFFFAOYSA-N 294.354 3.943 30 20 CHED Cc1ccc2ncc(/C=C\C(=O)c3ccnc(Cl)c3)n2c1 782194499 PUFZXTGFFLDHQG-ARJAWSKDSA-N 297.745 3.587 30 20 CHED CCOc1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1F 782322995 KDGWVEBJABCYFJ-XYOKQWHBSA-N 298.313 3.752 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1cnn(C(C)C)c1C 787186452 BZBXILKWWHULLU-BQYQJAHWSA-N 298.386 3.986 30 20 CHED COc1cccc(NN=C2CCC[C@@H](C(F)(F)F)C2)n1 783525361 XVCNXSNCNRKPBN-SECBINFHSA-N 287.285 3.611 30 20 CHED Cc1ccnc(NCc2cccc(OC(C)C)c2)c1C#N 784154829 NLQRVCIELCJAOT-UHFFFAOYSA-N 281.359 3.661 30 20 CHED CN(C(=O)c1ccc(F)c(C#N)c1)C1CCCCCCC1 788128298 VVADRHHQVDOLMP-UHFFFAOYSA-N 288.366 3.882 30 20 CHED C=C(C)[C@H](CC(=O)N1Cc2ccccc2[C@@H]1CC)OCC 890613198 XCMNFJATTSMEND-IRXDYDNUSA-N 287.403 3.851 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 1135679947 UBWZCUVFRHSIIN-UHFFFAOYSA-N 294.141 3.754 30 20 CHED CC(=NNc1cc(C)ccn1)c1ccc(C#N)cc1Cl 788434340 SFDIZXURHXKKGV-UHFFFAOYSA-N 284.750 3.751 30 20 CHED O=C(/C=C\c1cc(Cl)cs1)c1cncs1 782327742 UEFMUQILNHJAIK-UPHRSURJSA-N 255.751 3.754 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(C#N)c(C)c1 784876526 XPFNMQXRVLSKHN-MRXNPFEDSA-N 257.333 3.512 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCCC(C)(C)C2)c1 785468825 NQCGCLDJXHMLFW-HNNXBMFYSA-N 286.444 3.923 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(Cl)ccc2Cl)n(C)n1 789159467 NLHWEIVECRTNPM-UTCJRWHESA-N 295.169 3.931 30 20 CHED Cc1ccc2c(C)cc(N3CCC[C@H](C#N)C3)nc2c1 895652424 KQOBKTIRPIGNSL-CQSZACIVSA-N 265.360 3.592 30 20 CHED CC[C@H](C)CCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 797045971 VXEHNRKZAPKVMO-WCQYABFASA-N 283.375 3.874 30 20 CHED CC(C)c1occc1C(=O)Nc1cc(F)cc(C#N)c1 1132224722 IHFHSJADBMCYPF-UHFFFAOYSA-N 272.279 3.666 30 20 CHED C=CCCO[C@@H](C)c1nc(C2(CCOC)CCCC2)no1 896633685 JZRMBGCMLWKQCA-ZDUSSCGKSA-N 294.395 3.572 30 20 CHED FC(F)(F)CCON=Cc1ccsc1Cl 790176044 LLXQATFPTYLBTO-UHFFFAOYSA-N 257.664 3.704 30 20 CHED C=CCC[C@H](NC1CCC(C)(O)CC1)c1ccco1 796796182 BLKOSCWGCIVREC-BBBYJDLNSA-N 263.381 3.570 30 20 CHED CC(=NNc1ncccc1F)c1csc(C(C)C)n1 794980761 OHHYKPYOGJCTBB-UHFFFAOYSA-N 278.356 3.637 30 20 CHED CC(=NNc1cccc(F)n1)c1cc2ccccc2o1 795006119 DNZJFLOOPICQON-UHFFFAOYSA-N 269.279 3.803 30 20 CHED COc1ccccc1CON=Cc1cc2ccccc2o1 799118283 XTLZQDSWECZHPK-UHFFFAOYSA-N 281.311 3.992 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H]1CCN(c2ccccn2)C1 793548190 JXBJSXBDMIGWDM-IAGOWNOFSA-N 287.451 3.775 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)CCc2ccc(O)cc21 794959870 FPURRFHKNUIEGB-GDNBJRDFSA-N 292.334 3.540 30 20 CHED Cc1cccnc1NN=Cc1ccc([C@H]2C[C@H]2C)o1 790193191 XNQBSTMGBSOVAN-YPMHNXCESA-N 255.321 3.552 30 20 CHED CC(C)Oc1ccccc1C=NOCc1cncc(F)c1 794884944 XMDBDZRQGFFTJT-UHFFFAOYSA-N 288.322 3.559 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(Cl)cc1 44293287 ZZVOGZJSDLKEBN-NSHDSACASA-N 276.767 3.601 30 20 CHED CC1(CNN=Cc2c[nH]c3ccccc23)CCCC1 793089590 JULWMSBFGQHNPO-UHFFFAOYSA-N 255.365 3.672 30 20 CHED C=C(CC)COC(=O)C[C@@H](CC#N)c1ccccc1 795980456 JMXQCGNPSXUVLE-OAHLLOKOSA-N 257.333 3.583 30 20 CHED C[C@@H](NN=Cc1ccc(F)c2cccnc12)C(C)(C)C 793114645 IEVOSQPVIQXLMG-LLVKDONJSA-N 273.355 3.732 30 20 CHED C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](C#N)C1 1308063955 KVLAORQLCJISDB-RYUDHWBXSA-N 298.308 3.882 30 20 CHED C=C(Cn1c(C)nnc1N(C)CCC(C)C)c1ccccc1 1301004768 ZWKNHNCHQMOWBU-UHFFFAOYSA-N 298.434 3.782 30 20 CHED Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1C 135158758 VSEUWLBKUVZMLW-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)c1cccc(C)c1 58248055 QLPFEIPBOXGTMW-UHFFFAOYSA-N 278.355 3.728 30 20 CHED CCCCCCCCC(=O)Nc1n[nH]c(CC)c1C 1319589242 XRSVAMLPAJFFMT-UHFFFAOYSA-N 265.401 3.970 30 20 CHED COc1cccc(C(=O)CSc2ccc(C#N)c(C)c2)c1 1166393442 PNZYTGKCKXMHFZ-UHFFFAOYSA-N 297.379 3.850 30 20 CHED CC(C)CCN(CCc1ccc(C#N)cc1)C1CC1 1167005818 PECODRGQZLSNIA-UHFFFAOYSA-N 256.393 3.611 30 20 CHED Cc1ccc(C#N)c(NC[C@H]2CCCC(C)(C)C2)n1 1472807237 DNALKGUXFFBLSA-ZDUSSCGKSA-N 257.381 3.890 30 20 CHED C#Cc1cccc(NC(=O)C2(Sc3ccccc3)CC2)c1 1319628814 LWPITGWOOWGQRR-UHFFFAOYSA-N 293.391 3.931 30 20 CHED CC(C)CC[C@@H](NCc1cccc(OCC#N)c1)C1CC1 1327171036 OHGMTXNONQFMST-GOSISDBHSA-N 286.419 3.893 30 20 CHED C#Cc1cccc(N(C)C(=O)c2c(F)cccc2Cl)c1 103033173 VFFGLSGPJQYLKV-UHFFFAOYSA-N 287.721 3.737 30 20 CHED CCCCCCCN1CC[C@H](C2CCOCC2)C1 755057550 QDYAAZVDEURJSV-INIZCTEOSA-N 253.430 3.705 30 20 CHED Cc1ncccc1CSCCOc1cccc(C#N)c1 1324220081 IRYBULPIJFQSGY-UHFFFAOYSA-N 284.384 3.574 30 20 CHED N#CCCCOc1cccc(N[C@@H]2CC[C@H]2C2CC2)c1 554370450 QRHJUZZIQPCUKK-DLBZAZTESA-N 270.376 3.970 30 20 CHED Cc1ccc(C)c(SCc2ccc(C#N)cn2)c1 563497426 WPRNNPCZINTSFG-UHFFFAOYSA-N 254.358 3.862 30 20 CHED N#Cc1ccc(COC(=O)C2=CCCCCC2)s1 1327195481 PLIWHARFDQSFSF-UHFFFAOYSA-N 261.346 3.553 30 20 CHED CC(C)(C)c1ccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)nn1 1320221990 TYCUMXXUJBBGDS-RWMBFGLXSA-N 272.396 3.608 30 20 CHED Cc1ccc([C@H]2CCN(c3cccc(CC#N)n3)C2)c(C)c1 1321234423 ZTWWDFUVHQOWDW-INIZCTEOSA-N 291.398 3.758 30 20 CHED CN(C)[C@@H]1CCCC[C@@H]1/N=C/c1c(O)ccc2ccccc12 1338806182 KMVMWZNNFGHHID-QDRDOIMASA-N 296.414 3.837 30 20 CHED CSc1ccc(C)c(C(=O)N[C@H](C#N)C2CCCC2)c1 1334282901 XWUJTDLDRYLSTE-OAHLLOKOSA-N 288.416 3.529 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C1 1254653262 KWUIPPCSHNNOCO-DZGCQCFKSA-N 295.386 3.699 30 20 CHED Cc1ccc(C#N)c(NCC[C@H]2CCc3ccccc32)n1 1186602589 PUWNWBKGEOEHMT-OAHLLOKOSA-N 277.371 3.794 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(C(F)(F)F)cc1 1342734125 RYXSWGOSFTUMDN-GWCFXTLKSA-N 273.298 3.557 30 20 CHED C=CCNc1nc(-c2cnn(-c3ccccc3)c2C)cs1 1345369067 UNWJMZLUUWRWCQ-UHFFFAOYSA-N 296.399 3.902 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](CC#N)c1ccco1 1347949350 VFDDOGFMKISNEM-CQSZACIVSA-N 259.305 3.546 30 20 CHED C#C[C@H](NC(=O)c1c(CC)oc2ccccc12)C(C)(C)C 1348298364 JNKLNKHUXJHDKZ-HNNXBMFYSA-N 283.371 3.773 30 20 CHED C=C(CC)C(=O)Nc1ccc(Cl)cc1OCC(F)F 1349844455 AKRLHEVSCSQAPD-UHFFFAOYSA-N 289.709 3.889 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cn(C(C)(C)C)nc1C 1353906285 TUKPCHRWCNWBLK-CQSZACIVSA-N 289.423 3.517 30 20 CHED Cc1cc(N(C)Cc2ccc(F)c(Cl)c2)ncc1C#N 1458330129 XTKMHIRSPQCEJE-UHFFFAOYSA-N 289.741 3.691 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(Cl)c3occc23)nc1 1528250987 HNIPZFVYGYBCGA-UHFFFAOYSA-N 297.701 3.605 30 20 CHED N#Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cs1 1531873319 OKAJZDCFKMRBKG-HZPDHXFCSA-N 296.395 3.686 30 20 CHED N#Cc1ccc(CCN2CCCc3cc(F)c(F)cc32)cc1 1615944955 VNFKMLLXQZIJES-UHFFFAOYSA-N 298.336 3.832 30 20 CHED COc1cccc([C@H](C)SCc2cc(C#N)ccn2)c1 1613623753 ZMRZDXSPFGRWKC-LBPRGKRZSA-N 284.384 3.956 30 20 CHED Cc1sc(NC(=O)[C@@H](C)C#N)nc1C1CCCCC1 1624522088 JGHFCJZGKQIWFR-VIFPVBQESA-N 277.393 3.597 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N(C)[C@H](C)CC#N 1623580582 JJYMHTWBOGECAH-UKRRQHHQSA-N 264.413 3.744 30 20 CHED C/C(=C/c1ccccc1C(F)(F)F)CN1CC(C)(C#N)C1 1560874922 SKARDCAAIUXHJV-GHXNOFRVSA-N 294.320 3.954 30 20 CHED CCCC[C@H](CC)COC(=O)CSCC1(C#N)CC1 1643657183 WUYLYEWSAMPETA-ZDUSSCGKSA-N 283.437 3.783 30 20 CHED C#CCCCCCC(=O)Nc1sc(CC)cc1C(=O)O 1573302084 PSQFIRLLSIEGBT-UHFFFAOYSA-N 293.388 3.531 30 20 CHED CCC(CC)CN(CCC#N)CCCC(=O)OC(C)(C)C 1641934523 NRULLXXTACPPQY-UHFFFAOYSA-N 296.455 3.760 30 20 CHED C=CC[C@@H](Sc1nc2ccc(F)cc2s1)C(=O)O 1573352828 KUUVSZRNRUGTCF-SECBINFHSA-N 283.349 3.557 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C)c(OC)n1 1651834757 VLDNCVSUYZBDEU-UHFFFAOYSA-N 289.423 3.551 30 20 CHED C=C1CC(C)(C(=O)Nc2cc(C(=O)O)c3ccccc3c2)C1 1588644197 GWBYYVLFKLKQFW-UHFFFAOYSA-N 295.338 3.833 30 20 CHED N#Cc1ccc(SCc2cccc3ncccc23)nc1 1651757614 POAAXGHERUTESJ-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CC(C)[C@H]1/C(=C/c2c[nH]c(C(=O)O)c2)C(=O)c2ccccc21 1591067601 GGVWNNMLRVDAIP-ACQAZONXSA-N 295.338 3.732 30 20 CHED Cc1cc(C#N)cc(NC(=O)COc2ccc(C)c(C)c2)c1 1597275537 OOZCYCIDNTWDEQ-UHFFFAOYSA-N 294.354 3.501 30 20 CHED N#Cc1cc(N(Cc2ccccc2)CC2CCC2)ccn1 1642131799 UQDOEKGXFAFAQZ-UHFFFAOYSA-N 277.371 3.760 30 20 CHED Cc1ccc2c(c1)N(C(=O)Nc1ccc(C#N)c(F)c1)CC2 1672080827 UAHRHUNEJQJWRR-UHFFFAOYSA-N 295.317 3.600 30 20 CHED C[C@H]1Cc2ccccc2C(=O)/C1=C\c1cc(C(=O)O)cs1 1776665882 HVTSQFSYHCHTCP-SOOGHKCXSA-N 298.363 3.905 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2cc(Cl)cs2)c1 1777684843 IYELFIZIHRDMQA-SNAWJCMRSA-N 292.743 3.996 30 20 CHED C=C[C@H]1CCCN([C@@H](C(=O)O)c2cccc3ccccc23)C1 1776150515 UKGQIAQUGNWYAF-KBXCAEBGSA-N 295.382 3.864 30 20 CHED CC(CC1CCCC1)=NNc1ccc(F)c(C(=O)O)c1 1776062109 FIYWBYJMTQQRNJ-UHFFFAOYSA-N 278.327 3.892 30 20 CHED CCN(CC)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 15739005 WMJRJZALXTYMOM-UHFFFAOYSA-N 293.370 3.657 30 20 CHED C=C(C)CNC(=O)c1cccc(OCc2cccs2)c1 161190074 ZQCWOFHBNNEQEQ-UHFFFAOYSA-N 287.384 3.633 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(-c2ccccc2)cc1 162172438 JLJYWZBXUHYSBP-GOSISDBHSA-N 278.355 3.776 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](CCC#N)c2ccccc2)c1 158261356 RFKPDVDRQOYPDZ-NNIWKIFQSA-N 294.354 3.865 30 20 CHED N#Cc1ccc(SCC(=O)c2ccc[nH]2)c(Cl)c1 163343356 YHHFCZAQDPFIBN-UHFFFAOYSA-N 276.748 3.515 30 20 CHED CC[C@H](C)c1cc(C(=O)N(CCC#N)CCC(C)C)on1 163836026 LPCSWLNHHBKPMF-ZDUSSCGKSA-N 291.395 3.590 30 20 CHED CCCCCCCC(=O)NCCc1nc(C)c(C)s1 151276198 IJHPWZQBTCKQTQ-UHFFFAOYSA-N 282.453 3.779 30 20 CHED C[C@@H](C(=O)Nc1sccc1C#N)c1cccc(F)c1 152023281 SMLOFMIESJDFNB-SECBINFHSA-N 274.320 3.501 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 153508234 LDDCUGYJLDOBMN-YQQAZPJKSA-N 270.376 3.584 30 20 CHED CC1(NC(=O)c2ccc(C#N)c(Cl)c2)CCCCC1 155266937 DESQPRWFHCTZFD-UHFFFAOYSA-N 276.767 3.664 30 20 CHED C[C@H]1CC(Nc2ccc(C(F)(F)F)cc2C#N)C[C@H](C)O1 157849479 REHDWXDWJIENPI-UWVGGRQHSA-N 298.308 3.945 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1cc(C#N)cs1 157859318 ADDHNEGZZSPQDG-JTQLQIEISA-N 262.403 3.874 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCC(=O)C[C@H]1C 156426899 AUYIHMWREILSIY-PBHICJAKSA-N 291.435 3.587 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 6340589 JCVUPKUJXLTFPS-RMKNXTFCSA-N 286.714 3.934 30 20 CHED COc1ccc(CN[C@H]2CCC[C@@H](C)CC2)cc1C#N 227310200 IWUMRLPKKMJPOS-CJNGLKHVSA-N 272.392 3.625 30 20 CHED Cc1nc(SCCCOc2cccc(C#N)c2)oc1C 123982449 KARKCVWTULSQEK-UHFFFAOYSA-N 288.372 3.724 30 20 CHED C=CCCC(=O)Nc1cc(C)c(Br)c(C)c1 235751250 PDJJQPYUFCOZSE-UHFFFAOYSA-N 282.181 3.971 30 20 CHED Cc1cc(C(=O)N(CC#N)C2CCCC2)ccc1Cl 130988850 UDXDGFMGPWOGII-UHFFFAOYSA-N 276.767 3.557 30 20 CHED CCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 131756382 NCOAOKPECVGWKV-LLVKDONJSA-N 261.325 3.847 30 20 CHED CCC(CC)CN[C@@H](C)c1ccc(OCC#N)cc1 164517694 SSOHHCIBQDPJSW-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED N#Cc1ccc(NCC[C@H]2CCCO2)cc1C(F)(F)F 44510727 LVCQCZIRTKNZEN-GFCCVEGCSA-N 284.281 3.558 30 20 CHED COc1ccc(Cl)cc1CNc1ccc(F)c(C#N)c1 51636175 RZLVYKGFYIEFRC-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@@H]1CSC[C@H]1Nc1cccc(OCCCC#N)c1 294874926 QHMVFRZKPVVPAJ-IUODEOHRSA-N 276.405 3.533 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1ccc(C#N)c(F)c1 308110830 JXMZOCMLLVOXPQ-LLVKDONJSA-N 262.328 3.852 30 20 CHED CC(C)(CC#N)CNC(=O)c1cc2c(s1)CCCCC2 315476356 VNRNVCOSKOWNTJ-UHFFFAOYSA-N 290.432 3.687 30 20 CHED N#CCC1(CNCc2ccc(Cl)c(Cl)c2)CC1 430059107 OIEPMTBRMDLCDK-UHFFFAOYSA-N 269.175 3.777 30 20 CHED C#C[C@H](NCc1csc(C(C)(C)C)n1)C(C)(C)C 705243801 JEZYOLNNBQYIEI-LBPRGKRZSA-N 264.438 3.578 30 20 CHED N#Cc1ccc(OC[C@@H]2CCCC(F)(F)C2)c(F)c1 386548759 KGCHKVZGPNXCGE-LLVKDONJSA-N 269.266 3.902 30 20 CHED C[C@@H](Sc1ccccc1)C(=O)NC1(C#N)CCCCC1 5873216 HKNSGZSCSONCGM-CYBMUJFWSA-N 288.416 3.510 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1O 7717590 LHSFEEPOIGMCLD-QHHAFSJGSA-N 290.265 3.575 30 20 CHED CCCCCC[C@@H](C)NC(=O)c1ccc(C#N)cc1 31093154 XOEPYYVQFMXGQR-CYBMUJFWSA-N 258.365 3.647 30 20 CHED C[C@@H](Cc1cccs1)N[C@H](C)c1cccc(C#N)c1 37291802 QOGUQBZDHWBUGB-QWHCGFSZSA-N 270.401 3.902 30 20 CHED N#Cc1cccc(CNCc2ccc(F)cc2Cl)c1 37749383 HBZNUAIYLAZECY-UHFFFAOYSA-N 274.726 3.641 30 20 CHED C[C@@H]1CCN(C(=O)C2(C#N)CCCC2)c2ccccc21 41968315 PMYHBOVDOXTVKD-CYBMUJFWSA-N 268.360 3.611 30 20 CHED N#C[C@@H](C(=O)CC1CCCCC1)c1nc2ccccc2[nH]1 46706232 YZYQMGYWGPOMBH-ZDUSSCGKSA-N 281.359 3.710 30 20 CHED CC(C)Oc1ccccc1NC(=O)Nc1cccc(C#N)c1 51371971 JAODHAPZVFNBLM-UHFFFAOYSA-N 295.342 3.989 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)CC1CCCCC1 56476132 HGVNYUJRHCIFQH-UHFFFAOYSA-N 286.375 3.866 30 20 CHED CCCCCCCCCN1CCCC[C@H]1C(=O)O 59265897 CKIVQGCYMHLPQV-AWEZNQCLSA-N 255.402 3.676 30 20 CHED C=CCSc1nc(-c2ccc(Br)cc2)n[nH]1 59777946 LKMLPGQYXKQEDU-UHFFFAOYSA-N 296.193 3.512 30 20 CHED C=C(Br)CSc1ccc(NC(C)=O)cc1 59928483 YSQBRTRWWNEUML-UHFFFAOYSA-N 286.194 3.646 30 20 CHED C[C@@H](C#N)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 68924997 SXZOUANUXKCRTR-BBRMVZONSA-N 296.395 3.548 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cccc(Cl)c1C 69312445 KSYTZCAWIOQLIB-LLVKDONJSA-N 267.756 3.568 30 20 CHED CCC(CC)S(=O)(=O)/N=C(\O)C[C@H](C)c1ccccc1 73838496 RPEINCCBAJVGNN-LBPRGKRZSA-N 297.420 3.655 30 20 CHED CCc1cc(C#N)c(NC(=O)CCC(C)(C)C)s1 78082892 GCHVADHCFWXOJW-UHFFFAOYSA-N 264.394 3.947 30 20 CHED Cc1c(Cl)cccc1C(=O)NC1(C#N)CCCCC1 82286865 WPTXLSFMTBCDSL-UHFFFAOYSA-N 276.767 3.605 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2cc(C#N)cs2)cc1 84076287 RXHQFXADTAPQQN-GFCCVEGCSA-N 284.384 3.761 30 20 CHED CC(C)(C#N)CCCOc1ccc([N+](=O)[O-])cc1Cl 87609021 KMERILOLZQJFEJ-UHFFFAOYSA-N 282.727 3.957 30 20 CHED C=C(C)COCCN[C@H](C)c1cccc(OC(F)F)c1 90451125 FHSSOGOKQNUVFU-GFCCVEGCSA-N 285.334 3.531 30 20 CHED C=CCCOCCN[C@H](CC)c1cc(F)ccc1F 90883613 VKFIOMQOEGAYNH-OAHLLOKOSA-N 269.335 3.598 30 20 CHED N#Cc1cccnc1Oc1ccc(-c2ccccc2)nc1 91682403 IGUFGIUPPDTKEW-UHFFFAOYSA-N 273.295 3.808 30 20 CHED Cc1nsc(N[C@@H](C)CCc2ccccc2)c1C#N 92912524 JIKIZUUFOHJZLX-NSHDSACASA-N 271.389 3.756 30 20 CHED Cc1cc(CN(C)[C@@H](C)CC#N)sc1Br 93090756 IILQZXJFBXZITK-VIFPVBQESA-N 287.226 3.553 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C1(CC(C)C)CCCC1 94816912 QYLWVWOQXFPONU-AWEZNQCLSA-N 264.413 3.601 30 20 CHED C=C(CNCc1cccc(COC)c1)c1ccccc1 97602920 DBAHLZLWBKXAFC-UHFFFAOYSA-N 267.372 3.636 30 20 CHED N#Cc1cccnc1-c1c(F)cccc1Br 98181165 LLCWYSHUKJCDCL-UHFFFAOYSA-N 277.096 3.522 30 20 CHED CCOC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 102760872 YRMCLQSKQPSDSF-UHFFFAOYSA-N 296.326 3.706 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc3ccc(C)cc3[nH]2)c1 103103128 KVSUYVCVBDZNQR-UHFFFAOYSA-N 288.350 3.734 30 20 CHED N#CCCCCN[C@H](c1ccc(F)cc1)C1CCC1 104706891 DENFKUDXLOIBEL-INIZCTEOSA-N 260.356 3.950 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCC[C@H]2C)c1 105017803 RZNZZYCHRMKLDP-IUODEOHRSA-N 274.364 3.562 30 20 CHED C=C(C)COc1cccc(NC(=O)CCC2CC2)c1 115057575 IMRMRJIELVEGLG-UHFFFAOYSA-N 259.349 3.770 30 20 CHED C=C[C@@H](C)N[C@H](C)c1sc(C(C)(C)C)nc1C 119350214 CJUAOXGNQVEVNK-NXEZZACHSA-N 252.427 3.974 30 20 CHED C=CCOC(=O)c1c(-c2ccccc2Cl)noc1C 122146876 DKMIFOPMMUNCMM-UHFFFAOYSA-N 277.707 3.646 30 20 CHED C=CCC[C@H](NC(=O)Nc1cc(C)n(C)n1)c1ccccc1 122361009 VUVCUCHSRMJPQE-HNNXBMFYSA-N 298.390 3.558 30 20 CHED CCCCCCCCC(=O)N(C)Cc1ccccn1 123054008 UDHDTNUUYHRRBW-UHFFFAOYSA-N 262.397 3.791 30 20 CHED N#CC1CCN(Cc2cnc(C3CCCC3)s2)CC1 123686622 ZCXVEHCNTIUYPX-UHFFFAOYSA-N 275.421 3.536 30 20 CHED COc1cccc(/C=N/[C@H](C)Cc2ccsc2)c1O 124767866 KOMVCKPHYHXPIT-LKBVRNOZSA-N 275.373 3.512 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@H]1CC[C@H](C)C1 126261095 FXABQSSKAUNORY-AAEUAGOBSA-N 256.349 3.632 30 20 CHED N#Cc1cc(Br)ccc1NC[C@@H]1CCCS1 130466944 IIQWZBJTHYEMSF-NSHDSACASA-N 297.221 3.628 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1csc(-c2ccco2)n1 135124390 PAOYFNRSHKMABU-OAHLLOKOSA-N 290.388 3.622 30 20 CHED COc1ccc(F)cc1[C@H](C)NCc1ccc(C#N)s1 135681081 IRLWCBIZJFNSLI-JTQLQIEISA-N 290.363 3.618 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)/C=C/c1ccc2ccccc2n1 154359434 IMDJPZFMIURPCD-SIFUEBAJSA-N 294.354 3.729 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccccc1C)C(C)C 154721263 LRKKLSFUNIDUCG-OAHLLOKOSA-N 260.381 3.520 30 20 CHED Cc1cc(C#N)ccc1COc1cccc2c1CCC2=O 165696497 VWIUVFDKGSOZQG-UHFFFAOYSA-N 277.323 3.575 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](SC)c2ccccc2)c1 172369693 WIFWYWJNGMFIMS-INIZCTEOSA-N 281.380 3.711 30 20 CHED C=CCN(Cc1ncc(C)o1)Cc1ccc(Cl)s1 173455774 ACPGVHPWBVUXSN-UHFFFAOYSA-N 282.796 3.886 30 20 CHED C[C@@H](OC(=O)c1ccc(Cl)nc1)c1ccc(C#N)cc1 175767083 KJWUVYFSZYEOOL-SNVBAGLBSA-N 286.718 3.525 30 20 CHED C[C@H](OC(=O)CSc1ccccc1)c1ccc(C#N)cc1 175782943 WOGXHQROOBXOQA-ZDUSSCGKSA-N 297.379 3.955 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N1CCC2(CCC2)C1 177102210 ISOAFZBLTNTXQC-UHFFFAOYSA-N 299.324 3.765 30 20 CHED CCOC(=O)c1cccnc1SCCCC(C)(C)C#N 177308181 YEVMROPXBGWWLZ-UHFFFAOYSA-N 292.404 3.680 30 20 CHED C=CCN1CCC(N[C@H]2CCc3cc(Cl)ccc32)CC1 177912644 QKMDGFRGROPOFY-KRWDZBQOSA-N 290.838 3.567 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1ccc(F)cc1F 178943556 NUOHVRVDAZSMQC-FNORWQNLSA-N 284.265 3.509 30 20 CHED C/C(=C\c1ccccc1)CN(CCC#N)Cc1cccnc1 179528866 AKZCEMFSIAZICS-GHRIWEEISA-N 291.398 3.901 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)C2(c3ccccc3)CCCC2)C1 179926651 YWWRSYZSQQXRRS-GDBMZVCRSA-N 283.371 3.734 30 20 CHED N#Cc1cc(Cl)ccc1Cn1nccc1-c1ccncc1 185367611 CCDMYHHCMOXQLZ-UHFFFAOYSA-N 294.745 3.518 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc3ncsc3c2)C1 185891078 NPFMFBKCWCYKPH-QWRGUYRKSA-N 257.362 3.791 30 20 CHED CC#CCCCC(=O)N1CCC(C)(c2ccccc2)CC1 185933377 DPBDDZZGYRZUDA-UHFFFAOYSA-N 283.415 3.760 30 20 CHED Cc1cc(C#N)ccc1COc1cccc(C(F)(F)F)n1 186000945 OILSJKSYFBBLAS-UHFFFAOYSA-N 292.260 3.860 30 20 CHED CSC[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N 187186405 YXBZFVSWWSMTKS-AWEZNQCLSA-N 280.824 3.539 30 20 CHED C#CCOc1ccccc1NC(=O)c1cccc(C)c1C 187190497 KXBGWDVKWAQPPD-UHFFFAOYSA-N 279.339 3.568 30 20 CHED CCOc1ccccc1NCc1ccc(C#N)c(F)c1 190315790 MKTNXUOJKXJHSF-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C[C@H](c1cccs1)N(C)Cc1ccc(C#N)c(F)c1 191946950 ZHJBSLUUIRBNRD-LLVKDONJSA-N 274.364 3.952 30 20 CHED N#Cc1cc(NC(=O)c2ccoc2Cl)ccc1Cl 192394091 WSBQENHDXCKSRM-UHFFFAOYSA-N 281.098 3.710 30 20 CHED Cc1c(Cl)cccc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 192785692 LCLKCVAKVGGUQM-BZNIZROVSA-N 290.794 3.851 30 20 CHED C=C(Cl)COc1c(F)c(F)c(F)c(F)c1F 193682140 JQCQQPLQOZUPMT-UHFFFAOYSA-N 258.573 3.513 30 20 CHED C[C@@H]1CCC[C@@H](CNCc2ccc(OCC#N)cc2)C1 193696564 XMBXRUFWCCLSDD-GDBMZVCRSA-N 272.392 3.505 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccccc2C#N)s1 194585989 YNFDHZDXTVAGLU-CMDGGOBGSA-N 253.326 3.824 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2cccc(F)c2F)cn1 209919195 ZQUDRUJUGXJDTK-SREVYHEPSA-N 276.286 3.638 30 20 CHED CCCC[C@H](CCC)Nc1ncc([N+](=O)[O-])cc1C#N 226261457 WZFLOACXFZCIBI-LBPRGKRZSA-N 276.340 3.632 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 233861943 HUWAJHOZACFYLD-OCCSQVGLSA-N 291.376 3.553 30 20 CHED Cc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)s1 237701580 LXJUIVJDGJMBCP-LBPRGKRZSA-N 286.400 3.637 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(C)c2cccc(C#N)c2)C1 245649653 CHANJAPXWURYJY-NHAGDIPZSA-N 270.376 3.593 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)N[C@H](C#N)c1ccccc1Cl 248979128 ILYUYWJBDKCUOU-LALPHHSUSA-N 290.794 3.847 30 20 CHED Fc1ccccc1C=NNc1ccc(C(F)(F)F)cn1 254517192 PKDURMJSJSXSSW-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C/C(=C/C(=O)O[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 254970160 QMDYKBVFTSESBU-YVNUBKRQSA-N 289.762 3.979 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1 255068404 HLCFQTCYPSHWBW-PGJNLMOESA-N 293.322 3.579 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)O[C@@H]1CC[C@H](C#N)C1 255552506 UDKWIVAYGSAFGQ-FZOXRXHISA-N 289.762 3.979 30 20 CHED C=CCCOC(=O)/C=C\c1cnc(C(C)(C)C)s1 255885616 GRFOXFRQARGJOS-FPLPWBNLSA-N 265.378 3.573 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 264430235 KNJIBDVHENIADI-FSPWUOQZSA-N 292.382 3.561 30 20 CHED N#C[C@H](NC(=O)C1CC=CC1)c1c(Cl)cccc1Cl 265814038 AQXNZJHFXIMKEK-LBPRGKRZSA-N 295.169 3.640 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)s2)ccc1F 267626862 ROHZOFMTDCTJIN-LLVKDONJSA-N 274.364 3.918 30 20 CHED N#CC1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCC1 267783303 JVCHVDGZKOZTCA-UHFFFAOYSA-N 296.292 3.814 30 20 CHED C[C@H]1c2ccsc2CCN1CC(C)(C)CCC#N 271034143 JMYFZZMJVHESRT-LBPRGKRZSA-N 262.422 3.997 30 20 CHED CC(C)(CCC#N)CN1CC[C@@H](c2ccccc2F)C1 271185272 NLGKEAISFQJYNA-CQSZACIVSA-N 274.383 3.945 30 20 CHED CCCCc1nnc(NCc2ccc(C#N)cc2F)s1 271978094 LRPOOIFVGZCNEM-UHFFFAOYSA-N 290.367 3.504 30 20 CHED CC[C@@H](NCCC(C)(C)C#N)c1ccc(OC)cc1 272034231 PUCDHQQGYPCFED-OAHLLOKOSA-N 260.381 3.676 30 20 CHED CCN(CCC#N)C(=O)C(C)(C)c1ccc(Cl)cc1F 276393796 CEJFNWKGZLRKDR-UHFFFAOYSA-N 296.773 3.519 30 20 CHED CC1(C)CCCN(C(=O)c2cccc(F)c2Cl)[C@@H]1C#N 277919160 MYKYNDSKWQGVCX-GFCCVEGCSA-N 294.757 3.633 30 20 CHED CC(C)(C#N)CC(=O)Oc1ccc2ccccc2c1 278208232 HOXLAMYCBJCPOJ-UHFFFAOYSA-N 253.301 3.685 30 20 CHED CC1(C)CCCN(Cc2c[nH]c(-c3ccccc3)n2)[C@H]1C#N 278416678 QVBJOEQYXQWETQ-INIZCTEOSA-N 294.402 3.591 30 20 CHED CCOc1ccccc1[C@H](CC)N[C@@H]1CC[C@@H](C#N)C1 281997181 PZNQNWMZHFADHR-FMKPAKJESA-N 272.392 3.818 30 20 CHED CC[C@H](NCCCC1(C#N)CCOCC1)c1ccccc1 282074978 TVHSTTJTSIWSJG-KRWDZBQOSA-N 286.419 3.828 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCN(CCC)C1)c1ccco1 286275076 VNJBNIOESXGBKZ-JKSUJKDBSA-N 276.424 3.608 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(Cl)s2)no1 289120705 QGMSZJOPDFERIY-LDYMZIIASA-N 296.779 3.900 30 20 CHED Cc1cccc(Cl)c1CN(CCC#N)Cc1ccccn1 294949789 KGWLXERLLBTBSA-UHFFFAOYSA-N 299.805 3.959 30 20 CHED C[C@@H](C#N)N(C)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 297934392 SKIHJWDPSKBKPZ-MNOVXSKESA-N 298.308 3.569 30 20 CHED CCOc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1O 298374918 AQWBTPZMANJVTF-CYBMUJFWSA-N 296.370 3.513 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 299222272 LHEGLDMVVBPAIG-KXBFYZLASA-N 292.382 3.520 30 20 CHED CC(C)[C@@H](CNc1ncccc1C#N)c1ccccc1 301084702 MBCCJIFGKMWFHH-MRXNPFEDSA-N 265.360 3.805 30 20 CHED C[C@H]1CCCCN1CCCCNc1ccc(F)cc1C#N 301370376 PEAHKWZFHHZVQT-AWEZNQCLSA-N 289.398 3.764 30 20 CHED C[C@H](Nc1c(F)cc(C#N)cc1F)c1cccc(C#N)c1 301448462 OXAXZSAQXNSQES-JTQLQIEISA-N 283.281 3.881 30 20 CHED CC(C)(C/N=C(/N)NC1CCCCCC1)c1cccs1 305741087 FCZCCRNIXVLFDT-UHFFFAOYSA-N 293.480 3.653 30 20 CHED CC[C@@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 307961137 LDJIBQXHLWGMFC-OAHLLOKOSA-N 282.318 3.830 30 20 CHED Cc1ccc(-c2n[nH]cc2CNc2cccc(CC#N)c2)o1 313414883 ZYFHWOFGDZDHCR-UHFFFAOYSA-N 292.342 3.656 30 20 CHED N#CCc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 313448691 NYUDHHMXVBSEGY-UHFFFAOYSA-N 288.709 3.797 30 20 CHED N#Cc1ccc(C/N=C(/O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 329797902 HMWHGLIIAREJDY-YESZJQIVSA-N 297.402 3.531 30 20 CHED OC(=Nc1ccc2nc(C3CC3)oc2c1)N1C[C@H]2CCC[C@H]21 329920951 HFRDKEJIFBZQCI-BXUZGUMPSA-N 297.358 3.735 30 20 CHED CC[C@H](N/C(O)=N/[C@@H]1CC[C@H](C)C1)c1ccc(OC)cc1 331222610 KWIUMOTUQJSDIT-BJJXKVORSA-N 290.407 3.839 30 20 CHED CC[C@H](/N=C(/O)c1oc2c(C)ccc(C)c2c1C)[C@@H](C)O 331354946 PZNIEYMKGAENHN-OLZOCXBDSA-N 289.375 3.822 30 20 CHED N#C[C@@]1(C(=O)NCCC2CCCCC2)CC12CCCC2 333176520 LOLMVNPOUPMCCB-QGZVFWFLSA-N 274.408 3.547 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1cccc2ccsc12 334375152 DDPOZSKKZMIVNI-SNVBAGLBSA-N 273.361 3.667 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC(C)(C)C1 334419801 QHMVSBNYTSESAW-ZDUSSCGKSA-N 285.391 3.653 30 20 CHED Cc1cscc1CNC(=O)c1cc(C#N)ccc1Cl 334458251 QVISJEVGULTKTD-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C[C@H](Nc1cnccc1C#N)c1cc2ccccc2o1 339039776 VQGPCXQHFCISND-NSHDSACASA-N 263.300 3.873 30 20 CHED N#Cc1cccc(N[C@@H]2CCc3c(Cl)cccc32)n1 339220491 OKVPTLMBBFIQJE-CQSZACIVSA-N 269.735 3.706 30 20 CHED COc1ccc(CCN(CCC#N)Cc2ccccc2)cc1 339711085 ISUBTXCFDHPBHW-UHFFFAOYSA-N 294.398 3.654 30 20 CHED CN1CCCC[C@@H]1CCSc1ccc(C#N)cc1 340680386 UVHXXYRLXDBZNQ-CQSZACIVSA-N 260.406 3.525 30 20 CHED N#Cc1csc(-c2nc(-c3ccc(F)cc3F)no2)c1 340754057 FGVRNVRFSDORFM-UHFFFAOYSA-N 289.266 3.615 30 20 CHED C[C@H]1CCC[C@H](N(C)Cc2cn3ccccc3c2C#N)C1 341224765 PSAONJQXZGJKCU-HOCLYGCPSA-N 281.403 3.821 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1Cl 341527304 JLDMVWSEKMKSFP-SNVBAGLBSA-N 294.782 3.839 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc2ccc(C)nc12 341632662 OHAWGJSSAQFCIJ-AWEZNQCLSA-N 268.360 3.628 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1cc(F)ccc1SC 341982788 UVOYOSLUJUISRY-CYBMUJFWSA-N 296.411 3.702 30 20 CHED N#CCCCCSc1n[nH]c(/C=C\c2ccccc2)n1 345077923 VQJSFKBJIISCJV-KTKRTIGZSA-N 284.388 3.761 30 20 CHED C=CCOCCCN(Cc1cccs1)CC(F)(F)F 348024923 CQMFKIXMMMSSHD-UHFFFAOYSA-N 293.354 3.705 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCCC2(CCC2)C1 348175760 FGONONNJHSBLJI-AWEZNQCLSA-N 254.377 3.885 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H](C)[C@@H](C)CC 354105665 DHDSAUIZCMYHHW-NWDGAFQWSA-N 273.380 3.611 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)c1sccc1C1CC1 354271080 JABXSWJCLGZWRU-UHFFFAOYSA-N 296.395 3.769 30 20 CHED CC1(C)CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)C1 356588319 FRPDZDFGZSXYHB-HOTGVXAUSA-N 284.403 3.769 30 20 CHED CC[C@H](CC#N)NC(=O)c1nc(C)sc1-c1ccccc1 358050220 PRCFNPJUZHWMMP-CYBMUJFWSA-N 299.399 3.541 30 20 CHED C=CCCOCCN[C@@H]1CCc2ccc(Cl)cc21 358361292 BHYUXNDCBAWUMA-OAHLLOKOSA-N 265.784 3.510 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC(C(F)F)CC1 359903645 BCDSCTRPTQVZEX-UHFFFAOYSA-N 284.737 3.689 30 20 CHED CN(Cc1cccc(C#N)c1F)[C@@H]1CCC(C)(C)C1 361470442 SNWJOEDSVLOIMG-CQSZACIVSA-N 260.356 3.708 30 20 CHED C[C@H]1N(c2ccc(C#N)c(Cl)c2)CCC12CCOCC2 374905917 AUTYIVLKWKPRDS-GFCCVEGCSA-N 290.794 3.607 30 20 CHED CCCN(Cc1ccc(C#N)cc1Cl)CC(F)F 386754941 DNAUVLSORJORBU-UHFFFAOYSA-N 272.726 3.689 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 410833999 IWSSQMPCSWIJNZ-QKPAOTATSA-N 276.424 3.744 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc2cc(C)ccc2s1 410835253 NCABTJQXWGCVLU-ZDUSSCGKSA-N 286.400 3.974 30 20 CHED C[C@H]1[C@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)C1(F)F 410931416 UJKIPQTZYHBWPO-OIBJUYFYSA-N 298.358 3.757 30 20 CHED CC(C)[C@H]1N(c2ncccc2C#N)CC12CCCCC2 413433308 DCYWYJMBGBKVDC-OAHLLOKOSA-N 269.392 3.748 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1ccc(C2CC2)cc1 416075488 FHPOLFKRMLSZKS-LBPRGKRZSA-N 270.376 3.681 30 20 CHED C=CCCCC(=O)Nc1c(OC)cccc1SC 416125472 WEQIBPNBSIUMNZ-UHFFFAOYSA-N 265.378 3.712 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1CCCSCC#N 421010864 CQPQMMKNONDJPC-MRXNPFEDSA-N 288.460 3.901 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCCOc2ccccc21 424645600 SPXPQSRBAFUVGB-CQSZACIVSA-N 273.376 3.619 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](CC)Oc1ccccc1F 424698546 FHKPPSGXIANWFQ-CYBMUJFWSA-N 293.382 3.702 30 20 CHED C=C(C)CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 425531186 GVSFRBHRVPQYHS-GFCCVEGCSA-N 282.309 3.996 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 427556758 QKZHRBVSDGEJEF-VYDXJSESSA-N 271.404 3.851 30 20 CHED N#Cc1c(F)cccc1Cn1ccc(-c2cccs2)n1 427559532 MUHSWAANXFMLNO-UHFFFAOYSA-N 283.331 3.671 30 20 CHED CCCCNC(=O)c1sc2ccc(C#N)cc2c1C 427998189 UQXGHPCKUKPMQQ-UHFFFAOYSA-N 272.373 3.611 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc(OC)c1O)c1ccccc1 428023672 QNXYNSGQIUSISW-CQSZACIVSA-N 297.354 3.699 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2Cc2ccccc2)c1Cl 429190893 VXTLMJBDCDDLPK-OAHLLOKOSA-N 297.789 3.818 30 20 CHED C=CCC(C)(C)C(=O)NCC1(c2ccccc2)CCC1 429910072 RBVKMBJEKDJFNL-UHFFFAOYSA-N 271.404 3.827 30 20 CHED N#Cc1cccc(NC[C@H](c2ccccc2)C2CC2)n1 431479177 UPOJWXOXKSPFQW-MRXNPFEDSA-N 263.344 3.559 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cncc2ccccc12 432838992 DQPVZYAEMOKGQE-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc2cc(F)ccc12 435591823 HRYBGJWKVPKFMY-PXAZEXFGSA-N 286.350 3.767 30 20 CHED C=C1CCN(C(=O)CCCc2sccc2C)CC1 438979094 NRLVHXUJTLWUIG-UHFFFAOYSA-N 263.406 3.558 30 20 CHED CC[C@@H](F)CNc1ccc(C#N)c(C(F)(F)F)c1 442144883 YTAIRNLSFOTRKP-SECBINFHSA-N 260.234 3.737 30 20 CHED CC(=O)Nc1ccc(C)c(NCc2ccc(C#N)c(C)c2)c1 443962614 GTYSJNXSBDAUSH-UHFFFAOYSA-N 293.370 3.746 30 20 CHED C=CC[C@H]1N(Cc2ccc(C(=O)OC)o2)CCCC1(C)C 444787804 SHRVMIOGSWFWGP-OAHLLOKOSA-N 291.391 3.633 30 20 CHED Cc1ccnc(N[C@H](CC(F)(F)F)C(C)C)c1C#N 445662023 ORVJAHZJYKVCIU-LLVKDONJSA-N 271.286 3.651 30 20 CHED COc1ccc(C2(CN[C@@H]3CCC[C@@H](C#N)C3)CCC2)cc1 446749502 ARGNPJHTMSASHD-NVXWUHKLSA-N 298.430 3.789 30 20 CHED CC[C@@H](NC[C@H](CCO)CC(C)C)c1ccc(C#N)cc1 447559987 BQIAMUUVKNVJOP-SJLPKXTDSA-N 288.435 3.644 30 20 CHED CC1(C#N)CCC(NCc2cccc(Cl)c2)CC1 449059144 APOLJUSFPLSVDR-UHFFFAOYSA-N 262.784 3.902 30 20 CHED C=CCN1CCC(N[C@H](C)Cc2coc3ccccc23)CC1 449120626 DRMMJRWBYRJFBF-OAHLLOKOSA-N 298.430 3.604 30 20 CHED CCc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1F 451665545 RBCDKENJNOXNDE-QGZVFWFLSA-N 286.350 3.801 30 20 CHED N#CCc1ccc(NC(=O)C[C@@H]2C=CCC2)c(Cl)c1 452642354 HNUWYGGNLZLCHV-LLVKDONJSA-N 274.751 3.701 30 20 CHED CCC[C@H](NC(=O)c1ncc(C#N)cc1Cl)C(C)(C)C 452663549 QLDJROHYYGRXJX-LBPRGKRZSA-N 293.798 3.551 30 20 CHED C=CCC1(c2nc(-c3ccc(N(C)C)nc3)no2)CCCC1 453082941 IQQRBYREHDZCTN-UHFFFAOYSA-N 298.390 3.586 30 20 CHED C=CCCc1noc(COc2cccc(Cl)c2C)n1 453229412 GXQMBMPQQRGUIY-UHFFFAOYSA-N 278.739 3.729 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 456815317 XUACJJLPLGVRSS-LBPRGKRZSA-N 299.336 3.966 30 20 CHED Cc1cccc(CN(C)C(=O)[C@H](C)c2cccc(C#N)c2)c1 461899168 NZAJHNJVSKHDSG-OAHLLOKOSA-N 292.382 3.629 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 462109520 BBSRAVURLFIVAX-QZTJIDSGSA-N 298.430 3.979 30 20 CHED C[C@H](C(=O)N1CC[C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 462549599 JKEAIVIYTGESEQ-XJKSGUPXSA-N 284.403 3.556 30 20 CHED C=CCOc1cccc(CN[C@H]2C[C@H]2Cc2ccccc2)c1 462762195 BBTDPAQUSADASQ-QUCCMNQESA-N 293.410 3.972 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](C)Oc2ccccc2F)n1 463079939 NESQGKOXCISOCB-ZDUSSCGKSA-N 299.349 3.589 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(OCCC)c1 466322829 RRUFPXDOVSFVTH-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED C=CCOCCCN1CCC[C@@]1(CCC)C(F)(F)F 470777839 BSEPWQZWGZJEJF-ZDUSSCGKSA-N 279.346 3.776 30 20 CHED C=CCC[C@@H](C)Nc1cccc(N2CCN(CC)CC2)c1 475087087 JJALSEDWJYNVCV-MRXNPFEDSA-N 287.451 3.595 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC2(CCCCC2)O1 481861914 DVYGKOAEBIHWOR-ZBFHGGJFSA-N 279.424 3.587 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1 485600164 OEOLDORXXHSCQN-CYBMUJFWSA-N 264.756 3.912 30 20 CHED C=C(C)CNC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 488576617 JXDCLKHLIFUKRF-MRXNPFEDSA-N 272.392 3.673 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 488819681 HMNVLWNZRXNXSF-CYBMUJFWSA-N 283.293 3.886 30 20 CHED Cc1c(Nc2ccc(Cl)c(C#N)n2)cnn1CC(C)C 499698234 CLLPSDJEYFJAMM-UHFFFAOYSA-N 289.770 3.511 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1O 500647836 CQWTZEFAOOKRGK-UHFFFAOYSA-N 271.719 3.726 30 20 CHED C=C(C)CCc1noc(/C=C\c2ccccc2OC)n1 508665814 MUABXGPRKPHOQX-LUAWRHEFSA-N 270.332 3.757 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H]1CSC[C@H]1C 510247969 AKLQADWDXGBGPB-HIFRSBDPSA-N 296.480 3.516 30 20 CHED CCC[C@@H](CC)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 510676146 SNRAOXRPLDVGGW-CYBMUJFWSA-N 290.411 3.815 30 20 CHED C=CCn1c(CC)nnc1N(C)C/C(C)=C\c1ccccc1 516585918 KCYYRJYZVVOQEP-SQFISAMPSA-N 296.418 3.566 30 20 CHED N#CC1(CCOc2ccc3nccnc3c2)CCCCC1 517721030 MFBDHMAJAIWRQI-UHFFFAOYSA-N 281.359 3.873 30 20 CHED C=CCOc1cccc(NC(=O)NC(C)(C)CCC)c1 522615895 NFJGIMXXYAPHNS-UHFFFAOYSA-N 276.380 3.952 30 20 CHED C=CCCCS[C@@H](C)C(=O)N1CCc2ccccc21 522757508 KLIHKPWSAOHODK-ZDUSSCGKSA-N 275.417 3.664 30 20 CHED CCC[C@@H](C#N)NC(=O)CCc1ccc(-c2ccccc2)o1 523281909 OBXOUMOWZREWGU-HNNXBMFYSA-N 296.370 3.688 30 20 CHED CCCN(CC#N)CCOc1cc(Cl)cc(Cl)c1 525120956 GXMLDCCPXIQCHK-UHFFFAOYSA-N 287.190 3.608 30 20 CHED N#CCCCCN1CCC(OCC2CCCCC2)CC1 525272133 KYDMTFFLSOSQNP-UHFFFAOYSA-N 278.440 3.742 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2ccccc2CC1 525949099 BXLIJVHKVPMIHL-HNNXBMFYSA-N 276.383 3.720 30 20 CHED C[C@H]1[C@H](C2CC2)[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 528058379 ZLGUZNKXNYSFHL-JCURWCKSSA-N 298.386 3.600 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nccc2sccc12 529008091 IEHQVVMDPFXELD-UHFFFAOYSA-N 273.361 3.565 30 20 CHED CC[C@H](C)CN(C)Cc1ccccc1C(C)(C)C#N 532623819 AVYZXJWBZAWJRY-AWEZNQCLSA-N 258.409 3.966 30 20 CHED CC(C)(C#N)CCN1CCC[C@@](C)(c2ccccc2)C1 534218240 UYSWCLLYFLSKAH-GOSISDBHSA-N 270.420 3.980 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)Cc2ccccc21 536175971 AHMVCIWZFOSUBM-UHFFFAOYSA-N 276.383 3.852 30 20 CHED C=CC[C@@H](CO)CNCc1cccc(-c2ccccc2C)c1 537024809 ZURGUTYAGGLVGF-GOSISDBHSA-N 295.426 3.936 30 20 CHED C[C@H](NCCCc1ccccc1)c1ccc(C#N)c(F)c1 537400028 HYGVVKYUAZFNGX-AWEZNQCLSA-N 282.362 3.981 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc(OCC)nc2)no1 544500434 BVSMIMZPEKZQFG-UHFFFAOYSA-N 285.347 3.766 30 20 CHED C=CC[C@@H](CC)N[C@H](C)CC(=O)Nc1cccc(C)c1 545979713 USTPKGSQZZFHTN-HUUCEWRRSA-N 274.408 3.656 30 20 CHED CC1(C)CN(c2nccc(C#N)c2Cl)Cc2ccccc21 553145073 PPOUYRHPPURBNO-UHFFFAOYSA-N 297.789 3.904 30 20 CHED C=CCC(C)(C)c1noc(C(C)(C)C2CCOCC2)n1 560028428 PCGUVEAKIOQNIW-UHFFFAOYSA-N 278.396 3.628 30 20 CHED C=CCCCC(=O)NCc1cccc(SCC)c1 561408245 VHUUSWYYHQWMQX-UHFFFAOYSA-N 263.406 3.771 30 20 CHED CC(C)CC[C@H](NC[C@H](C#N)CCC#N)C(C)(C)C 562994811 ZTBRYSXXWFEVCW-GJZGRUSLSA-N 263.429 3.870 30 20 CHED CSc1ccccc1[C@H](C)N=c1cc(C)[nH]c(C#N)c1 566847283 BENFYYQUPHBRDR-LBPRGKRZSA-N 283.400 3.579 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1C1CCC1 566917013 DNZJTLMLMYNVDY-ZWKOTPCHSA-N 296.414 3.731 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CC(C)(C)O2 572003633 PQMPAAIQBKBQSS-OAHLLOKOSA-N 285.387 3.581 30 20 CHED C[C@H]1CCC[C@H](NC(=O)N2CCC(CCC#N)CC2)CC1 572597332 HCUBQPBIFJIVFU-HOCLYGCPSA-N 291.439 3.681 30 20 CHED C=CCOc1ccc(CNC(=O)N(CCC)C(C)C)cc1 579974891 BCVISWSMSDDOEH-UHFFFAOYSA-N 290.407 3.581 30 20 CHED CC[C@@H](Cc1ccccc1)NC(=O)CCCCCC#N 588156405 DSGXRUKAJDOOMW-INIZCTEOSA-N 272.392 3.598 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](C2CC2)C1 588977779 IVPKPXQKFKKROK-GUYCJALGSA-N 254.377 3.741 30 20 CHED N#Cc1ccccc1OCc1cscc1Br 590597422 YOXXEKKHQINBAT-UHFFFAOYSA-N 294.173 3.961 30 20 CHED Cc1ccccc1C1(N[C@H]2CCC[C@@H](C#N)C2)CC1 592391764 IZXSPDISHDEFNA-CABCVRRESA-N 254.377 3.656 30 20 CHED Cc1noc(C)c1-c1cccc(C2(C#N)CCOCC2)c1 592987594 YUONLSYOHNDRDP-UHFFFAOYSA-N 282.343 3.530 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CCC[C@@H](C#N)C1 593660871 OXVACZZQFLIQJO-YQFWSFKMSA-N 254.377 3.523 30 20 CHED CC[C@H](C#N)C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 593743079 BVWFMBMRXLBJDJ-ZLDLUXBVSA-N 290.794 3.642 30 20 CHED Cc1cscc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593995950 HCXOFUUJJBLBRS-LLVKDONJSA-N 284.384 3.746 30 20 CHED C[C@H]1CCC[C@@H](C)CN1c1nc(C#N)c(Cl)s1 596147078 RWUMXHMMUCLLBR-BDAKNGLRSA-N 269.801 3.683 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)C1 596929786 YHXIUHALXVXKKN-HNNXBMFYSA-N 283.375 3.573 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 597902968 CMIVQXYDDIOIMH-CQSZACIVSA-N 294.354 3.712 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)N(C1CC1)[C@H](C)C#N 598132159 GDXJFOBCNYLPBJ-HUUCEWRRSA-N 284.403 3.548 30 20 CHED N#CC[C@@H](CC(=O)NCCCC1CCC1)c1ccccc1 598215030 GMDZQQCTXFUKNF-KRWDZBQOSA-N 284.403 3.770 30 20 CHED C[C@@H](CN(C)C(=O)NCC1(CC#N)CC1)C1CCCCC1 599049082 SQVWGKQRBORVQU-AWEZNQCLSA-N 291.439 3.538 30 20 CHED Cc1nc(N2C[C@H](C)C(F)(F)[C@@H](C)C2)c(Cl)cc1C#N 599118431 NHSBRMAPUVIGAS-IUCAKERBSA-N 299.752 3.643 30 20 CHED CC[C@@H](C)CCC(=O)N(CC#N)c1ccc(F)cc1C 602393627 XRBXYJWBFTVVBC-GFCCVEGCSA-N 276.355 3.817 30 20 CHED CC1(C)CN(C(=O)c2cccc(C#N)c2)[C@@H]1c1ccccc1 604332640 SVTUMMKNSLLBJF-QGZVFWFLSA-N 290.366 3.782 30 20 CHED C[C@H](Nc1cnc2ccccc2n1)c1cccc(C#N)c1 610340448 XDZAQWQLPOEDMP-LBPRGKRZSA-N 274.327 3.675 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C1 610352050 BBMPNEANACDDLJ-CPUCHLNUSA-N 299.418 3.887 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC=CCC2)n1 613426884 RTGQATRUPADOBM-CYBMUJFWSA-N 255.365 3.771 30 20 CHED C=CCCNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 617616021 GLYQPDQFXYNUOV-SECBINFHSA-N 272.175 3.789 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 617789435 JASUPZJCDDFVPL-GFCCVEGCSA-N 263.768 3.768 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccc(Cl)c(F)c1 626687530 XJRNVBUUNZNGAO-ZDUSSCGKSA-N 295.785 3.979 30 20 CHED C=CCN(Cc1noc(-c2ccccc2)n1)C(C)(C)C 661754736 CNUBSWYVFZQNCD-UHFFFAOYSA-N 271.364 3.523 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(C)c2F)C1 666565087 GMMZNNPOYLJXRX-CYBMUJFWSA-N 276.355 3.954 30 20 CHED C[C@@H](CN[C@H](C)CC(C)(C)C#N)COCc1ccccc1 695840480 BSOFWRBIRBIQJX-JKSUJKDBSA-N 288.435 3.757 30 20 CHED CC1(C)C[C@]1(C)Nc1ccc(C#N)c(Br)c1 702351891 PTPVRQPZHLGUBD-ZDUSSCGKSA-N 279.181 3.921 30 20 CHED C[C@H](COCc1ccccc1)COc1ccc(C#N)cc1F 719614890 VPBWPCNNXHJFCK-CQSZACIVSA-N 299.345 3.929 30 20 CHED N#CCCCOc1cccc(C=NNc2ccc(F)cc2)c1 726738098 QHIATITXRJOIRN-UHFFFAOYSA-N 297.333 3.954 30 20 CHED CCCC[C@H]1CCCC1=NNc1ccc(Cl)nn1 727250809 WVYLYKQMBZGCAD-JTQLQIEISA-N 266.776 3.888 30 20 CHED C=CC[C@H](C)C(C)=NNC(=S)Nc1ccccc1F 727777037 MLJZMEILEFTCQL-JTQLQIEISA-N 279.384 3.700 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCCOc1ccc(C#N)cc1 727884679 ZAVJLMDFDMDECR-CQSZACIVSA-N 289.375 3.553 30 20 CHED CC/C=C(/C)C(=O)N(CCC#N)c1ccc(OCC)cc1 729250325 IKRMHFGULCDQMK-AUWJEWJLSA-N 286.375 3.688 30 20 CHED C=CCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730615305 WROCODAHCNAJCY-GHMZBOCLSA-N 271.143 3.826 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)Cc2c(F)cccc21 730729703 NLFOOAQNZPBJQB-YFHOEESVSA-N 274.241 3.926 30 20 CHED C=C1CCN(CC(=O)Nc2ccc([C@@H](C)CC)cc2)CC1 731032241 FUOQEVNOGIAFNR-HNNXBMFYSA-N 286.419 3.791 30 20 CHED Fc1ccc(NN=Cc2csc3ccccc23)nc1 731321716 OHPPFXAMLFQLDN-UHFFFAOYSA-N 271.320 3.881 30 20 CHED C#CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 733979143 RDEAUCUSVFJWMU-NWDGAFQWSA-N 296.197 3.625 30 20 CHED C=CCN(Cc1cc(Br)cs1)C(C)C 735079027 ZHVRZKVHWUTDJT-UHFFFAOYSA-N 274.227 3.907 30 20 CHED C=CCCCOC(=O)c1ccc(Oc2ccccc2)nc1 735531042 UTJQOBXGUAOYNF-UHFFFAOYSA-N 283.327 3.997 30 20 CHED C=C(Cl)CNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 736237918 BTKUFIXETKEYQN-CMPLNLGQSA-N 257.805 3.708 30 20 CHED C[C@H](Cc1ccccc1Cl)Nc1cccc(C#N)n1 736286274 NIPWNTSDWFATHA-LLVKDONJSA-N 271.751 3.650 30 20 CHED CCCCCCCCC/C=C\C(=O)N1CCCN(C)CC1 737766363 GKEWSAQCRBMPLV-QBFSEMIESA-N 294.483 3.847 30 20 CHED O=C(/C=C/c1nccc2ccccc12)c1cncc(F)c1 740765864 YKBXDMKIJHAJKP-AATRIKPKSA-N 278.286 3.665 30 20 CHED CCO[C@H]1CC(=NN[C@@H](C)c2ccccc2)C12CCC2 741162208 BECZJKIGNGHWDP-BBRMVZONSA-N 272.392 3.672 30 20 CHED COc1cccc(F)c1C(C)=NOCc1ccccc1 741806589 LQNSPRZWTYYGJJ-UHFFFAOYSA-N 273.307 3.775 30 20 CHED C#CCOc1ccc(CN[C@H]2CCC[C@@H](C3CC3)C2)cc1 742376968 JJPPZLMPIAJYFW-MSOLQXFVSA-N 283.415 3.757 30 20 CHED CCCCCCCCOC(=O)c1cccc(C(=O)NC)c1 744044902 BPIFRXZWTZRACJ-UHFFFAOYSA-N 291.391 3.564 30 20 CHED C#C[C@@H](C)OC(=O)c1cc2c(Cl)cccc2s1 744180277 IMETVQVUFWSFMP-MRVPVSSYSA-N 264.733 3.733 30 20 CHED C=C(C)CCOC(=O)c1cc(C)n(CC(F)(F)F)c1C 744299695 KFNWRVHVNTZBNY-UHFFFAOYSA-N 289.297 3.790 30 20 CHED C=C(C)CCOC(=O)/C=C/c1ccc(Cl)s1 744299786 LMLFSPRCKZGKBW-GQCTYLIASA-N 256.754 3.924 30 20 CHED C=C(C)CCOC(=O)c1c(C)nn(Cc2ccccc2)c1C 744304149 MLTLLNJWNPUWAV-UHFFFAOYSA-N 298.386 3.671 30 20 CHED N#Cc1cccc(COC(=O)c2cc3cccc(F)c3o2)c1 745285463 RFVWYRPSIIPDFZ-UHFFFAOYSA-N 295.269 3.801 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C2C(C)(C)C2(C)C)cc1 746174352 NXAQRTPEWRZVBD-UHFFFAOYSA-N 284.403 3.924 30 20 CHED C#CCN(CC)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl 746965224 AXMWFEIFCDZWNQ-SNVBAGLBSA-N 299.201 3.719 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1ncc(C(C)(C)C)o1 747695530 XLZLAFPCUXICGU-NEPJUHHUSA-N 295.379 3.558 30 20 CHED C=CCCCC(=O)Oc1ccc(OC)cc1CC=C 748666630 CLNAYTVFSMGDQL-UHFFFAOYSA-N 260.333 3.685 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C)cc1F 749363814 QEXFOKQRAASQNN-UHFFFAOYSA-N 299.320 3.549 30 20 CHED C=C(Cl)CN(CCCO)[C@@H]1CCCc2ccccc21 749801619 IEZIYZOSUAQSPR-MRXNPFEDSA-N 279.811 3.501 30 20 CHED CCS[C@@H]1CCCC[C@H]1/N=C\c1cccc(OC)c1O 749929879 GTCLGIUPVMFLRI-DCFZTUSPSA-N 293.432 3.884 30 20 CHED COc1ccc(NN=C(C)c2ccc(F)cc2)cc1 750946573 UPFUKWUOQLFIOM-UHFFFAOYSA-N 258.296 3.670 30 20 CHED CC(Cc1ccc(C(F)(F)F)cc1)=NNc1cccnn1 751133543 PYWNQAHOSWCIMV-UHFFFAOYSA-N 294.280 3.526 30 20 CHED C#CCN(C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1)C1CC1 753785164 KTNPLMOSQJKFMC-SJORKVTESA-N 296.414 3.520 30 20 CHED C#CCOc1ccccc1OCc1ccc(F)cc1F 753973105 ASDSXYHLNDKHML-UHFFFAOYSA-N 274.266 3.556 30 20 CHED C[C@H](CC=NNc1ccc(Cl)nn1)c1ccccc1 755480287 DINATEHBTCJXBE-LLVKDONJSA-N 274.755 3.722 30 20 CHED Cc1ccc2c(C)cc(NN=CC3CCOCC3)nc2c1C 755595635 ZVHQNDRRXLMQBL-UHFFFAOYSA-N 297.402 3.984 30 20 CHED CC(=NNc1cc(C)ccn1)c1nc2ccccc2s1 755902326 JLYAYXPNASEGRS-UHFFFAOYSA-N 282.372 3.836 30 20 CHED CCC(C[C@H](C)CC)=NN=c1cc[nH]cc1Cl 756842107 KVGVQFVEKIRSOI-SNVBAGLBSA-N 253.777 3.771 30 20 CHED C[C@@H](C=NNc1ccc(C(=O)O)cc1)c1ccc(F)cc1 756873279 RRBQFWCXNDJABH-NSHDSACASA-N 286.306 3.725 30 20 CHED Cc1cc(C)c(C=NNc2ccc(OC(F)F)cc2)[nH]1 760249617 XSVOJSZFXSSIPB-UHFFFAOYSA-N 279.290 3.679 30 20 CHED CON=Cc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1 761396708 IPUKWFMMPRVWOA-UHFFFAOYSA-N 293.326 3.692 30 20 CHED O=C(/C=C/c1nc2ccc(F)cc2s1)c1cncs1 761474895 ADSDVQFTFFAJFL-ONEGZZNKSA-N 290.344 3.788 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(F)cc1OCC#N 761771524 ASGIVSJEQGEVFB-NSHDSACASA-N 292.354 3.739 30 20 CHED CC(C)c1cccc(C(=O)OCc2ccc(F)cc2C#N)n1 762046928 QBKUZXRDUHXYLW-UHFFFAOYSA-N 298.317 3.573 30 20 CHED CCC(CC)[C@H](C)C(=O)[C@@H](C#N)c1nc2c(C)ccnc2[nH]1 762064154 IPSCYPMBGUJINX-WCQYABFASA-N 298.390 3.515 30 20 CHED C=CCC[C@@H](CCC)NCC(=O)Nc1ccc(F)c(F)c1 764600957 RLPVLQDDMXOQDJ-GFCCVEGCSA-N 296.361 3.628 30 20 CHED CC(C)(CC#N)COC(=O)[C@@H]1C[C@]12CCCc1ccccc12 764842888 KBPGGUHFTDYLOK-LPHOPBHVSA-N 297.398 3.764 30 20 CHED C#CC[C@H](OC(=O)c1ccc(Cl)cc1C)c1ccccn1 766344604 BDDIFXZXKBPHIF-INIZCTEOSA-N 299.757 3.965 30 20 CHED C[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)c1cccc(C#N)c1 766350411 KZYNCKCHWCSPKM-ZIAGYGMSSA-N 292.382 3.905 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C#N)c(C)c2)cc1 766485636 XEWPDGSPBWZNJI-WMZJFQQLSA-N 277.323 3.771 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(Cl)nc2)ccc1C#N 766491432 ORQNOIBROPGAFL-UTCJRWHESA-N 282.730 3.811 30 20 CHED C[C@H](/N=C\c1cccc(O)c1O)c1cccc(F)c1F 766670908 DCXHFIKIXAKMTK-QNNPZSRPSA-N 277.270 3.556 30 20 CHED CCCCCCCn1cc([N+](=O)[O-])c(C2CC2)n1 767058908 DUIQQEXKZOOCQK-UHFFFAOYSA-N 251.330 3.639 30 20 CHED C[C@H]1CCC[C@H](C=NNc2cnnc3ccccc23)C1 768361098 BPYSCNJCLFTDGM-STQMWFEESA-N 268.364 3.854 30 20 CHED N#Cc1ccc(NC(=O)[C@H](F)c2ccccc2)cc1Cl 769434556 HNYDQTMINZVWOE-CQSZACIVSA-N 288.709 3.861 30 20 CHED C=CCCCCNC(=S)Nc1cccc(CC)c1 769759477 CUASRZFNIYNRST-UHFFFAOYSA-N 262.422 3.892 30 20 CHED CC(=NNCC(F)(F)F)c1cc(Cl)ccc1Cl 769821704 LOMTUMYKJMDVTB-UHFFFAOYSA-N 285.096 3.869 30 20 CHED C[C@@H](OC(=O)CCCC(F)(F)F)c1ccc(C#N)cc1 770746765 OIAKDRJDYUZBMB-SNVBAGLBSA-N 285.265 3.895 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](C(C)C)c2ccccc21 773209245 AHEPLPUITGWRHO-AWEZNQCLSA-N 274.433 3.697 30 20 CHED C=C(CC)COC(=O)CCc1ccc(OCC)cc1 773500578 YLPAHJSMHPGUIM-UHFFFAOYSA-N 262.349 3.527 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2cscn2)c1 776193924 WWOXEJCRWZMZKM-VOTSOKGWSA-N 273.357 3.828 30 20 CHED N#Cc1csc(/C=C\C(=O)c2ccc(C#N)c(F)c2)c1 776727535 ZIAJQARHJRWJMH-ARJAWSKDSA-N 282.299 3.527 30 20 CHED CC(=NOCCC(F)(F)F)c1cc(F)ccc1F 777458678 JXEKJAURPOFNGE-UHFFFAOYSA-N 267.197 3.658 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc([N+](=O)[O-])cc2F)c1 777877543 PFJOWIMLGANZCM-UHFFFAOYSA-N 287.294 3.797 30 20 CHED C=CCCCCCOC(=O)c1c(F)cc(O)cc1F 783715358 CXDOCGAILCFCCH-UHFFFAOYSA-N 270.275 3.574 30 20 CHED Cc1ccc(C=NOCc2ccc(F)cc2C)cc1 784046197 MNCBXWXJCJRHKE-UHFFFAOYSA-N 257.308 3.993 30 20 CHED CCCOc1cccc(/C=C\C(=O)c2cncs2)c1 787170709 AKPRMFCBRWTGHT-SREVYHEPSA-N 273.357 3.828 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(F)c(Cl)c2)s1 787727414 MEQNITWPGJSDFM-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C#CCC1(C(=O)Nc2cccc(CN(C)C)c2)CCCCC1 788150978 CTCKKXVUIKXVBG-UHFFFAOYSA-N 298.430 3.661 30 20 CHED COc1cc(C=NNc2ncccc2C)ccc1OC(C)C 790190895 NDXZQXAFOJALEA-UHFFFAOYSA-N 299.374 3.632 30 20 CHED CCCCCCCCN1C[C@@H](C)OC2(CCOCC2)C1 790360166 DJTWVFWFHMQQDA-MRXNPFEDSA-N 283.456 3.617 30 20 CHED C#CCCCCCC(=O)Oc1cc(F)c(F)cc1C 791425854 FSFIRKQXGGMURU-UHFFFAOYSA-N 266.287 3.762 30 20 CHED C#CCCNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 792431723 MHMCBUWZRPQKOD-UHFFFAOYSA-N 287.712 3.961 30 20 CHED C#CCCOc1ccc(CNc2cccc3c2CCO3)cc1 793324935 OKZJZTQVPPQUMI-UHFFFAOYSA-N 293.366 3.636 30 20 CHED Cc1cc(CN2CCn3c(Cl)ccc3[C@H]2C)ccc1C#N 794438770 YODZTUBSJRQYMG-CYBMUJFWSA-N 299.805 3.898 30 20 CHED COc1ccc(NN=C2CCC[C@H]2CCF)cc1 794924692 ZKXNEXHFUGSXPZ-NSHDSACASA-N 250.317 3.623 30 20 CHED C=CCCCOC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 796494214 LXPYWXXURMJCMR-FZMZJTMJSA-N 280.389 3.507 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C2CC2)sc2ccc(C#N)cc12 796941666 CURHQONNGFFGIO-ZDUSSCGKSA-N 296.351 3.540 30 20 CHED C#C[C@H](NC(=O)Nc1cccc(OCC(C)C)c1)C(C)C 799181653 BDDCBOCZAUIYPZ-INIZCTEOSA-N 288.391 3.501 30 20 CHED COc1cccc(/C=N\C[C@@H]2CCCC(F)(F)C2)c1O 800722222 ZWJSDGXHIADLPO-IPHDDYSGSA-N 283.318 3.645 30 20 CHED C=CCCCCCCNC(=O)Nc1cnn(C(C)(C)C)c1 806311223 AJIQHQBLCRRJNB-UHFFFAOYSA-N 292.427 3.896 30 20 CHED O=C(O)c1cccc(C(=O)/C=C/c2ccc(F)cc2F)c1 806559805 FSLHJFCYUTXPTP-FNORWQNLSA-N 288.249 3.559 30 20 CHED C=CCCCCCCCCNC(=O)N1CCOC[C@@H](C)C1 807592970 WTYYRUIEVZNBAX-INIZCTEOSA-N 296.455 3.581 30 20 CHED N#Cc1cc(NC(=O)C(F)=C2CCCC2)nc2ccccc12 809078319 HAXVAVJZGIQNJO-UHFFFAOYSA-N 295.317 3.843 30 20 CHED C#Cc1ccc(CNCCCCOc2ccccc2)cc1 809604589 MLDGGEDGRIKKSL-UHFFFAOYSA-N 279.383 3.617 30 20 CHED C#Cc1ccc(CNc2ccc3scnc3c2)cc1 809653833 HZVLFYQAFLSMFS-UHFFFAOYSA-N 264.353 3.890 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 809975981 XZICRRTVSFAXCW-JENIJYKNSA-N 295.426 3.686 30 20 CHED C#Cc1ccccc1CC(=O)N(CC)Cc1ccc(C)cc1 810076588 JUQPPMBVOOZXJT-UHFFFAOYSA-N 291.394 3.568 30 20 CHED C=CCCCCOC(=O)CCC(=O)c1ccc(C)cc1 811011427 WJYIQTKQRJAEQU-UHFFFAOYSA-N 274.360 3.857 30 20 CHED Cl/C=C\CON=Cc1c[nH]c2cc(Cl)ccc12 811668618 IHEBOZFXBFPVJJ-CUERLKHOSA-N 269.131 3.924 30 20 CHED C#CCON=Cc1ccc(F)c(-c2cccs2)c1 812234665 PFMTWJNFVFYQNI-UHFFFAOYSA-N 259.305 3.538 30 20 CHED C(=NOC1CCC1)c1ccc(Sc2ccccn2)o1 812235540 JXTAKOPWVXUXAA-UHFFFAOYSA-N 274.345 3.729 30 20 CHED N#C[C@@H](C(=O)C1CCCCC1)c1cc(C(F)(F)F)ccn1 813218598 YBMMCASCRILECD-GFCCVEGCSA-N 296.292 3.857 30 20 CHED C1CCCN([C@H]2CCCCC2=NOCC2CC2)CC1 814244371 PYKHVZMPTFDGIZ-INIZCTEOSA-N 264.413 3.588 30 20 CHED COc1ccc([C@@H](C)C(C)=NOCCC2CC2)cc1OC 814245719 FMJMPFNSKVEQPU-LBPRGKRZSA-N 291.391 4.000 30 20 CHED CCC(C=NNc1ccc(C(=O)O)cc1)(CC)CC 814680747 GRJFKBGTERFAMB-UHFFFAOYSA-N 262.353 3.999 30 20 CHED COCC(Cc1ccccc1)=NNc1ccc(F)cc1F 814686640 UIARGOPHIKAQQR-UHFFFAOYSA-N 290.313 3.622 30 20 CHED c1ccc2[nH]c(NN=C3CC[C@H]3C3CCC3)nc2c1 814709086 ZDTYTRMAXVZKBG-NSHDSACASA-N 254.337 3.541 30 20 CHED CCOc1ccc(NN=C(C)c2ccc(C)o2)cc1 814984538 BEGIGKHZSCWMHX-UHFFFAOYSA-N 258.321 3.823 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2cccc(Cl)c12)C(C)C 815398701 ROMCDHGESKYAPU-UHFFFAOYSA-N 290.794 3.787 30 20 CHED CC/C(C)=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 822849749 JWWKMTCBOCBXQK-XNTDXEJSSA-N 284.403 3.899 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc([C@H](C)N)cc2)n1 823248885 VWMXPWMFSDRGMB-NSHDSACASA-N 271.364 3.610 30 20 CHED CCCCCCCC(=O)NCCc1ccccc1F 823705870 STUDZHGRXGVJLU-UHFFFAOYSA-N 265.372 3.845 30 20 CHED CO[C@@H]1Cc2ccc(NC3CCC(C)(C#N)CC3)cc2C1 824146845 CTTDFYVLMHGSFL-IIIMJFFVSA-N 284.403 3.685 30 20 CHED CCCN(c1ccc(CN)cc1)C1CCC(C)(C#N)CC1 824292629 STVZCRKTINBSST-UHFFFAOYSA-N 285.435 3.834 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccccc2O)CCCCC1 825480910 BOMRUHPCPUQGQW-UHFFFAOYSA-N 287.403 3.877 30 20 CHED C#CC1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)CC1 825743263 PXIPRPRLHCTLQA-QGZVFWFLSA-N 298.430 3.829 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1csc2ccccc12 826656741 WSUOEFUAMUHHQD-LBPRGKRZSA-N 271.385 3.738 30 20 CHED CCCCCCC[C@@H](C)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 827554911 LBFQXIXDYHDLKQ-CVEARBPZSA-N 296.499 3.972 30 20 CHED CCCCCCCCCN1CCC(C#N)(C(=O)OC)CC1 831698860 BMIXQTFNNMNYDF-UHFFFAOYSA-N 294.439 3.516 30 20 CHED CC(C)C#CC(=O)Nc1ccc(Cl)c(OC(F)F)c1 831907462 TYYPNBGEWZCIPQ-UHFFFAOYSA-N 287.693 3.539 30 20 CHED C=C(C)CCc1noc(C[C@]2(C)CC2(Cl)Cl)n1 834733392 HHBGJPKDSIADJP-LLVKDONJSA-N 275.179 3.705 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(C)c(OC)cc1C 834890645 FUURDZQTYQBKKF-UAGQMJEPSA-N 289.419 3.696 30 20 CHED C#Cc1cccc(CN[C@@H]2CCCc3c(OC)cccc32)c1 834903386 PBEPKCPAWRCTAQ-LJQANCHMSA-N 291.394 3.844 30 20 CHED CC(=NNCCC(F)(F)F)[C@@H]1CCCC[C@@H]1C 834976185 ILOQOONKEUPKBF-GXSJLCMTSA-N 250.308 3.731 30 20 CHED C[C@@H]1CC[C@@H](C)C(=NNc2nccnc2C2CCC2)C1 834979816 OHTLVNNZQVUCSV-VXGBXAGGSA-N 272.396 3.968 30 20 CHED C[C@H](NN=C1CCC(OC2CCCC2)CC1)C(F)(F)F 834998502 IPLKEHNFCNHVSU-NKUHCKNESA-N 292.345 3.785 30 20 CHED N#CC1(COC(=O)C2(C(F)(F)F)CCC2)CCCCC1 835281833 HXPFPEYXEXULFA-UHFFFAOYSA-N 289.297 3.736 30 20 CHED C#C[C@@H](NC(=O)N(Cc1ccc(C)s1)C(C)C)C(C)C 838596745 VUOSZSNFYMQSRH-OAHLLOKOSA-N 292.448 3.634 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)C(F)(F)c2ccc(F)cc2)C1 839048271 MGIGMQFYGYANFU-ZWNOBZJWSA-N 297.276 3.543 30 20 CHED CSc1ccccc1OC(=O)CCCCCC#N 839428738 YFIPGBOKWUODCX-UHFFFAOYSA-N 263.362 3.788 30 20 CHED Cc1cc(NCC(C)(C)CC#N)c(Cl)cc1[N+](=O)[O-] 840335150 SZPFBFYWCGILJA-UHFFFAOYSA-N 281.743 3.908 30 20 CHED C=CCN(Cc1ccccc1F)C(=S)NC1(C)CCC1 840716357 KTIIQDWBEOHTAP-UHFFFAOYSA-N 292.423 3.631 30 20 CHED N#CC1(C(=O)Oc2ccc(Cl)c(F)c2F)CCCCC1 841310847 JUAULYSTFHLYGM-UHFFFAOYSA-N 299.704 3.998 30 20 CHED CCc1ccc(C=NOCc2cccc(C)n2)cc1 842017521 BBHQNYZFSJNXIV-UHFFFAOYSA-N 254.333 3.503 30 20 CHED Cc1ccc(CON=C2CCC2)c(Br)c1 842031237 VCOOYXIDKIWPOW-UHFFFAOYSA-N 268.154 3.814 30 20 CHED C#CCCCC(=O)N(C)c1nc2c(Cl)cccc2s1 844499529 YHHCBZYFEQRSGD-UHFFFAOYSA-N 292.791 3.716 30 20 CHED C=C(C)CON=C(C[C@@H]1CCOC1)c1ccc(F)cc1 844619622 HYTFBIUUNXTUTG-ZDUSSCGKSA-N 277.339 3.549 30 20 CHED C=CCCc1ccccc1NC(=O)N1C[C@@H]2[C@@H](C1)C2(F)F 844655320 VCWOHFZKOOLKEV-CHWSQXEVSA-N 292.329 3.534 30 20 CHED CC(C)(CCC#N)CN1CCCCN1C(=O)OC(C)(C)C 846070853 ZDFILZMOZHBXRJ-UHFFFAOYSA-N 295.427 3.564 30 20 CHED C#CC[C@H](OC(=O)c1ccc(C(F)F)cc1F)C1CC1 847658572 QPBLOVNZHGOSSG-ZDUSSCGKSA-N 282.261 3.722 30 20 CHED CC(C)(CC#N)COC(=O)CCCc1c(F)cccc1F 847682772 GCEFWOLPLMBXME-UHFFFAOYSA-N 295.329 3.771 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1coc(CCC)n1 851145453 XEXRKROKYCQRLF-GXTWGEPZSA-N 277.364 3.919 30 20 CHED C=C(C)[C@@H](NC(=O)N[C@H]1C=CCC1)c1ccc(F)c(F)c1 852257167 JTQGOPASLSFPOU-SWLSCSKDSA-N 292.329 3.600 30 20 CHED Fc1ccc(Br)cc1CON=CC1CC1 853735244 PSPSUAQOBHXDFF-UHFFFAOYSA-N 272.117 3.501 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)CCc1ccc(F)cc1 865082402 RHTWHKVYKDLNJC-AWEZNQCLSA-N 290.382 3.545 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1c(C)cccc1Cl 879212265 DPMKNOYSAVDNCK-CQSZACIVSA-N 264.756 3.572 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(C(C)=O)c(C)c1 879315328 CXNIEODXMVJZJW-UHFFFAOYSA-N 259.349 3.738 30 20 CHED C=CC(C)(C)CC(=O)OCc1ccc(C(F)(F)F)cn1 884649519 GILIHOHZAUBXDU-UHFFFAOYSA-N 287.281 3.746 30 20 CHED N#CC1(CCCCn2nccc2-c2cccnc2)CCC1 902703391 ITOFUPVGGDNMEK-UHFFFAOYSA-N 280.375 3.809 30 20 CHED COCCOCc1cccc(-c2ccc(F)c(CC#N)c2)c1 904760314 ZQMFLOYIEQDOJH-UHFFFAOYSA-N 299.345 3.722 30 20 CHED CCCCOc1ccc(C(=O)OCCCCC#N)cc1 912957555 HEZJSDIKNGZJMH-UHFFFAOYSA-N 275.348 3.716 30 20 CHED CC(=NNc1nc2ccccc2s1)c1cccc(O)c1 916246787 PZZXTFPNGCQECF-UHFFFAOYSA-N 283.356 3.838 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1cc(C)sc1C 916288265 RVSZTHCASWWPJL-UHFFFAOYSA-N 280.784 3.644 30 20 CHED C=CCN(Cc1ccc(OC(F)(F)F)cc1)C(C)C 917070848 HQICAEBUHMJIBT-UHFFFAOYSA-N 273.298 3.982 30 20 CHED Cc1cccc(N(C)C(=O)/C=C/c2ccccc2C#N)c1C 917829818 IQTVISJQTTZFOK-VAWYXSNFSA-N 290.366 3.851 30 20 CHED CCC/C(C)=C/C(=O)Nc1sc(CC)cc1C#N 920223599 MZZHVNKCGCNOBM-JXMROGBWSA-N 262.378 3.867 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 920385690 GFCVHFSEOFQFQZ-ZDUSSCGKSA-N 263.344 3.633 30 20 CHED CCOc1ccc(/C=N\Cc2ccccc2C)c(O)c1 920945083 PPQPAFUJHXQEJI-PDGQHHTCSA-N 269.344 3.718 30 20 CHED Cn1ccnc1C(=O)/C=C/c1cccc(Cl)c1Cl 920963560 SUWGCGDGJCBBOI-AATRIKPKSA-N 281.142 3.623 30 20 CHED N#CCC[C@H](NCc1cccc2c1OCC2)c1ccccc1 921926248 UONAYGFDKFGGOZ-SFHVURJKSA-N 292.382 3.756 30 20 CHED COc1ccc(C(C)(C)CN[C@H](C)CC(C)(C)C#N)cc1 925350019 CWGVADLCAANHNH-CQSZACIVSA-N 288.435 3.891 30 20 CHED Cc1csc(CN2CCC(c3ccc(C#N)cc3)CC2)n1 933608098 VPLAWZQLDJWLOT-UHFFFAOYSA-N 297.427 3.703 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(C)n([C@@H](C)CC)n1 935253264 WTHLUENWPUJTQW-AAEUAGOBSA-N 263.385 3.703 30 20 CHED Cc1cccc(OC(=O)CC#Cc2ccccc2)c1C 1116270893 RCZNLSFOVNPLNT-UHFFFAOYSA-N 264.324 3.651 30 20 CHED CC(C)[C@@H]1CCCN(c2nc3ccccc3cc2C#N)C1 1116686025 GRKXDXKQUIANNO-OAHLLOKOSA-N 279.387 3.979 30 20 CHED CC(C)c1occc1C(=O)OCc1ccc(C#N)s1 1118336847 UCKGANNXXRQRAU-UHFFFAOYSA-N 275.329 3.693 30 20 CHED Cc1c(Cl)cnc(NCC2(C3CC3)CCC2)c1C#N 1162882006 YJCNQBCSNJBSPZ-UHFFFAOYSA-N 275.783 3.907 30 20 CHED N#Cc1cc(F)c(NC/C=C\Cl)cc1Br 1164303037 NQECHMNJNABHCZ-UPHRSURJSA-N 289.535 3.624 30 20 CHED CCN(CCOc1cc(Cl)cc(Cl)c1)[C@H](C)C#N 1174852556 DAIPEKBMZXSVLE-SNVBAGLBSA-N 287.190 3.606 30 20 CHED N#Cc1ccc(F)c(CNC[C@@H]2CCc3ccccc32)c1 1183824033 XDWOOTAMLPXHGM-HNNXBMFYSA-N 280.346 3.517 30 20 CHED C=CCN(C(=O)c1ccc(CC)c(CC)c1)C(C)C 1261841342 NIBDWVABLBXWTD-UHFFFAOYSA-N 259.393 3.848 30 20 CHED Cc1cc(C)c(C(=O)N(C)c2ccc(C#N)cc2F)s1 1264902844 VUMPVLNJQMQIEM-UHFFFAOYSA-N 288.347 3.652 30 20 CHED C[C@H]1Cc2cc(CNc3ncc(C#N)cc3Cl)ccc2O1 1307204045 HYIFFUYOFQNPGT-JTQLQIEISA-N 299.761 3.542 30 20 CHED CC[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1C#N 1307684710 ULSXCTUMDVEELB-ABAIWWIYSA-N 262.784 3.880 30 20 CHED C(=NOC[C@H]1CCOC1)c1ccc(-c2ccccc2)s1 1320646251 LZNWOUKTBRRCCT-ZDUSSCGKSA-N 287.384 3.802 30 20 CHED CC(C)(C)ON=CCN(C(=O)OC(C)(C)C)C(C)(C)C 1326862860 HETCXRHYZKJZSI-UHFFFAOYSA-N 286.416 3.823 30 20 CHED C#Cc1cccnc1N1Cc2ccccc2C2(CCC2)C1 1328025631 FALIJQLFFMRAMM-UHFFFAOYSA-N 274.367 3.505 30 20 CHED N#CCC1(CSCc2ccc(-n3ccnc3)cc2)CC1 1330073483 LNIGPJUDCHFEGE-UHFFFAOYSA-N 283.400 3.799 30 20 CHED C[C@H]1CN(c2c(C#N)cccc2C#N)Cc2ccccc21 1332237007 HCPIRZVNUDLQRE-ZDUSSCGKSA-N 273.339 3.554 30 20 CHED C#C[C@](C)(CC)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1334435864 WMFIPBWFJRMFND-MRXNPFEDSA-N 288.778 3.661 30 20 CHED CCc1ccc2c(c1)CN(C(=O)CCCCCC#N)CC2 1337926269 MLOMKMZQQVUCQG-UHFFFAOYSA-N 284.403 3.608 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCc2ccc(F)cc2C#N)c1 1339379213 SYLCFXXDRWPLQT-CYBMUJFWSA-N 297.329 3.853 30 20 CHED Cc1ccccc1C(F)(F)C(=O)O[C@H]1CCC[C@@H](C#N)C1 1344887813 VXMYBNSSLMDFDW-OLZOCXBDSA-N 293.313 3.712 30 20 CHED Cc1oc(C(C)(C)C)cc1COC(=O)CCCC#N 1344896213 APJVXYXFGSDCOU-UHFFFAOYSA-N 263.337 3.623 30 20 CHED C=CCCCCCN(C)C(=O)c1cnoc1C(C)C 1348963890 BOUDVXKMOYJQJB-UHFFFAOYSA-N 264.369 3.616 30 20 CHED C=C(C)CCC(=O)NC1(C(F)(F)F)CCCCC1 1354473624 BWJYTNZLOQAUBZ-UHFFFAOYSA-N 263.303 3.724 30 20 CHED CC(C)(C#N)CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 1356510325 BTRJEAILUUGUBL-UHFFFAOYSA-N 287.241 3.575 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)[C@H](C#N)c1cccc(F)n1 1357701119 JQQWYTDYDRPFCT-DZGCQCFKSA-N 296.345 3.584 30 20 CHED CC[C@H](CC(C)C)C(=O)OCc1cc(C#N)ccc1F 1435412809 NIDXEQQMZORCGV-CYBMUJFWSA-N 277.339 3.813 30 20 CHED C[C@H]1C[C@H](C(=O)OCc2ccc(CC#N)cc2)CC[C@H]1C 1435687526 VADSCQSXRAPEGS-JKIFEVAISA-N 285.387 3.868 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1 1436540305 RMDYPTNSPZCGPQ-HOCLYGCPSA-N 270.376 3.504 30 20 CHED C=C(Cl)CNC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 1444353871 GSXUMNAPMGWMEK-UWVGGRQHSA-N 283.721 3.614 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2ccc(C#N)cc2F)[C@H](C)C1 1456650049 SRUAZWCBGQKINJ-HFAKWTLXSA-N 275.323 3.679 30 20 CHED C[C@@H](CNC(=O)[C@@H](CC#N)c1ccccc1)c1ccccc1 1458777950 NKWJKDOUYMRUGI-YJBOKZPZSA-N 292.382 3.604 30 20 CHED CCC(=O)c1ccccc1NC(=O)c1ccc(F)c(C#N)c1 1534368230 WPAOCJFOUSSCHY-UHFFFAOYSA-N 296.301 3.542 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2C[C@@H]2Cc2ccccc2)c1C#N 1559109692 BAIVNVFNDAWPQD-XJKSGUPXSA-N 297.789 3.958 30 20 CHED N#Cc1nc(NCCc2ccc(F)c(F)c2)sc1Cl 1559168067 KECQMUHFJXBJNL-UHFFFAOYSA-N 299.733 3.601 30 20 CHED CC[C@@H]1CCCC1=NNc1ccc(F)c(C(=O)O)c1 1595435544 LCTVHMBNZXECTE-SECBINFHSA-N 264.300 3.502 30 20 CHED CCCCCCCCN[C@@]1(C)CCCC[C@@H]1C(=O)O 1595704806 YRQUUUAAKWRFEL-ZBFHGGJFSA-N 269.429 3.970 30 20 CHED Cc1ccc(NN=C2CCC[C@@H](CCCC(=O)O)C2)nc1 1600463382 VPAPNWYAXPATNP-ZDUSSCGKSA-N 289.379 3.603 30 20 CHED CC[C@@H]1CCC1=NNc1ccc(C(=O)O)c(Cl)c1 1605160908 KHFSZSVMHASLBW-MRVPVSSYSA-N 266.728 3.626 30 20 CHED CC[C@@H]1CCCC[C@H]1CNCc1cc(C#N)cs1 1620953497 NFNFSPZPNJTZOQ-KGLIPLIRSA-N 262.422 3.926 30 20 CHED CCC[C@@H](CC(C)C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1623608775 BGJKHNZIWPMBBS-ZDUSSCGKSA-N 298.390 3.835 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCC[C@H]1CC 1627312511 ALRNWSWQMQWAJQ-HZPDHXFCSA-N 278.440 3.991 30 20 CHED C[C@H]1C[C@@H](CCNc2ccc(C#N)nn2)CC(C)(C)C1 1642645534 LEDACGNXNLDDCM-QWHCGFSZSA-N 272.396 3.613 30 20 CHED Cc1nc(C(C)C)ccc1CN1CCc2c(C#N)cccc21 1646299422 MWDOVAWLCNOILD-UHFFFAOYSA-N 291.398 3.948 30 20 CHED CC(C)CC[C@@H](NC(=O)NCC1(C#N)CCC1)C(C)(C)C 1678912594 XAYVDNKUMSGWDZ-CQSZACIVSA-N 293.455 3.830 30 20 CHED C[C@@H]1CCCCC1=NNc1ccc(F)c(C(=O)O)c1 1776062002 ZFNLLHRXHQUCJZ-SECBINFHSA-N 264.300 3.502 30 20 CHED O=C(O)c1ccc2scc(C=NOC3CCC3)c2c1 1776079548 KUKHQWDJCACFIG-UHFFFAOYSA-N 275.329 3.503 30 20 CHED CCCC(=NNc1ccc(CC(=O)O)cc1)[C@H]1CC1(C)C 1776085338 FURSTWAWCBHNQF-CQSZACIVSA-N 288.391 3.928 30 20 CHED N#Cc1cccc(COC(=O)c2ccc3c(c2)CCCC3)c1 7144609 DOVTXLQJGPTHBU-UHFFFAOYSA-N 291.350 3.794 30 20 CHED Cc1cccc(C)c1OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 14468369 IFEXGKRNDHXUAO-CQSZACIVSA-N 295.338 3.548 30 20 CHED C#Cc1cccc(NCC(=O)Nc2c(C)cc(C)cc2C)c1 29981305 VGNSCPGIMDIMBE-UHFFFAOYSA-N 292.382 3.644 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1cc(F)ccc1F 35256182 YAVUVEVTVHEVMG-LLVKDONJSA-N 272.298 3.687 30 20 CHED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C(\O)C(C)C 46929146 HSMHGRNQTAKNBV-UHFFFAOYSA-N 297.420 3.594 30 20 CHED CC(C)CCSCC(=O)N[C@@H](C)c1ccc(C#N)cc1 48951543 LBSBUGANRPDVDA-ZDUSSCGKSA-N 290.432 3.515 30 20 CHED Cc1cccc(CCC(=O)Nc2ccc(CC#N)cc2)c1 49933514 KVEWCXTVOAAECO-UHFFFAOYSA-N 278.355 3.632 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 55428195 XQFJEDYPKUKZIG-BLLLJJGKSA-N 292.338 3.945 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1 57437903 QKXQGLLOGXOTDY-YCRREMRBSA-N 274.266 3.870 30 20 CHED N#Cc1ccc(N[C@@H]2CCCSC2)c(Br)c1 61577589 XLVGTCRGRJROBI-SNVBAGLBSA-N 297.221 3.628 30 20 CHED CCN(CCOc1ccc(C#N)cc1)Cc1cccc(F)c1 61799838 JIICKIQYGBHLET-UHFFFAOYSA-N 298.361 3.598 30 20 CHED C=CCN(CC=C)C(=O)CNc1cc(Cl)ccc1Cl 66224670 DWURJEOSUBPVDJ-UHFFFAOYSA-N 299.201 3.606 30 20 CHED CCN(Cc1nc(C)c(C)o1)[C@H](C)c1ccc(C#N)cc1 66422004 HVXFQPDXNQEBJI-CYBMUJFWSA-N 283.375 3.746 30 20 CHED CCCCCN(C(=O)Cc1ccc(C#N)cc1)C(C)C 70158802 YQWXEMAVVQZKKY-UHFFFAOYSA-N 272.392 3.528 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)on1 72645088 UTAMVUGBHHMCQQ-UHFFFAOYSA-N 289.722 3.575 30 20 CHED CCC(C)(C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 73140691 QNYUOPWKJFEDIH-LBPRGKRZSA-N 258.365 3.562 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(CCCCC#N)C1 75843313 FVFPRDPJBJXYOU-BBRMVZONSA-N 260.356 3.902 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 76068206 ZLWIODONMJJDNJ-JKSUJKDBSA-N 274.433 3.664 30 20 CHED C=CCCCN(CC)CC1CCN(c2ccccn2)CC1 76108933 VFHXZQOZSNXVNG-UHFFFAOYSA-N 287.451 3.586 30 20 CHED N#Cc1ccc(NC[C@H]2CCC[C@H](O)C2)cc1C(F)(F)F 78305320 YDNRHKJMVJODFD-GWCFXTLKSA-N 298.308 3.540 30 20 CHED N#Cc1ccc(N2CCC(F)CC2)cc1C(F)(F)F 79031403 RIAPXLXJAKIMGX-UHFFFAOYSA-N 272.245 3.515 30 20 CHED C=CCN(CC=C)C(=O)NCCCSc1ccccc1 79188523 OXIRCKDSBBRTAO-UHFFFAOYSA-N 290.432 3.552 30 20 CHED C=CCCN1CCC[C@H]1c1nc2ccccc2n1CC 84131773 RULNDOCFPQFORI-INIZCTEOSA-N 269.392 3.769 30 20 CHED N#Cc1nnc2ccccc2c1Sc1cccc(F)c1 84489413 QWYXRONETNEEBY-UHFFFAOYSA-N 281.315 3.792 30 20 CHED CCC(C)(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191918 ZPCGJUUAHCYZLE-UHFFFAOYSA-N 284.281 3.952 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 88298789 OAOUGVSNRMNPSE-WDEREUQCSA-N 261.325 3.703 30 20 CHED C#CCCCCN[C@H](CC)c1cc(F)ccc1F 90398069 ZCUVMQNZJXWZRF-OAHLLOKOSA-N 251.320 3.809 30 20 CHED C=CCC(CC=C)C(=O)Nc1cn(C)nc1-c1ccccc1 91144660 VSGWKQDDUPJMSE-UHFFFAOYSA-N 295.386 3.794 30 20 CHED N#Cc1csc(CNCCCn2ccc3ccccc32)c1 93492104 RFLRIDXKYKBMIU-UHFFFAOYSA-N 295.411 3.754 30 20 CHED CC(C)(CCC#N)CN1CCOC2(CCCCCC2)C1 93769271 RQODBQRHOZADKF-UHFFFAOYSA-N 278.440 3.742 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C)c(F)c1 104974689 FKXQSLXIAMYACX-UHFFFAOYSA-N 250.317 3.564 30 20 CHED CCOc1ccccc1CNc1ccc(C#N)cc1F 112012386 GQMGOUGZQCQUOZ-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(-c2cccs2)nc1C 116863418 AGHJUCVOONEYOZ-NSHDSACASA-N 286.400 3.813 30 20 CHED C=CCCCOC(=O)C[C@@H](C)c1ccccc1OC 117995271 CTMBZIJHXMIWIC-CYBMUJFWSA-N 262.349 3.698 30 20 CHED CCC1(C(=O)Nc2ccc(F)cc2OCC#N)CCCC1 120822649 GDSSJFPDIBMYIB-UHFFFAOYSA-N 290.338 3.637 30 20 CHED C=C[C@@H](CC(=O)N(C)CC1CCCC1)c1ccccc1 121260547 OOMXHIHGFZIDSK-INIZCTEOSA-N 271.404 3.995 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C/c1ccccc1C#N 121337989 GVHCWQKSNZKQKL-JXMROGBWSA-N 294.329 3.659 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(Cl)s2)c1 124806133 LMCFWKRPEKUPGZ-UHFFFAOYSA-N 293.735 3.793 30 20 CHED CCc1nnc(NC[C@H]2CCCC[C@H]2C)c(C#N)c1CC 124946181 IDGCTAVRITZGPY-CHWSQXEVSA-N 286.423 3.711 30 20 CHED N#CCc1ccc(NC(=O)NC2CCCCCCC2)cc1 125322686 LCIHCKMTQHOTSH-UHFFFAOYSA-N 285.391 3.987 30 20 CHED C[C@@]1(CNc2cc(Cl)ccc2C#N)CCCS1 126425377 PGSCQVPJVKGMEV-ZDUSSCGKSA-N 266.797 3.909 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 128355202 LRYAWHVMGJZJEI-ZIAGYGMSSA-N 295.386 3.683 30 20 CHED C=CCCSc1nnc(C2CC2)n1-c1ccccc1 128617884 BYVXASUASGSJID-UHFFFAOYSA-N 271.389 3.813 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(OC)nc1C)c1ccccc1 129383857 SKABIFDLACESMT-CQSZACIVSA-N 296.370 3.697 30 20 CHED O=C1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)CCc2ccccc21 129509892 MEENLJVVTVXIMR-UKTHLTGXSA-N 295.294 3.513 30 20 CHED C=CCC[C@H](NC(=O)C=C1CCC1)c1ccccc1 133955897 FAUSBVXOGCVMEC-INIZCTEOSA-N 255.361 3.920 30 20 CHED C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1ccccc1 136134530 OARYDRFJUFFIHE-AWEZNQCLSA-N 279.339 3.795 30 20 CHED CCN(C(=O)Nc1ccccn1)[C@@H](C)c1ccc(C#N)cc1 145718084 BQNZOTAYAHKUMC-ZDUSSCGKSA-N 294.358 3.568 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccccc1 154448616 ZIYAPSLYFAKTQC-ROUUACIJSA-N 295.382 3.544 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2ccc(N(C)C)cc2)cc1 157692448 DBEJTQQWBADHAF-CQSZACIVSA-N 295.386 3.656 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)Cc1ccc(C)s1 162110553 YQDLVXHCRJBREL-LBPRGKRZSA-N 280.437 3.595 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccccc2)cc1 162172340 JLJYWZBXUHYSBP-SFHVURJKSA-N 278.355 3.776 30 20 CHED C=C(C)CCNc1cc(Br)ccc1OC 168972955 MXVOXHBKCXILFK-UHFFFAOYSA-N 270.170 3.836 30 20 CHED C=CCC[C@@H](CCC)NC[C@@](C)(O)c1ccccc1 169172044 ABDRNMNUYGRDNH-IAGOWNOFSA-N 261.409 3.619 30 20 CHED N#Cc1nccnc1Nc1ccc2nc(C3CC3)sc2c1 171026769 DZDIGOYHCDBVAT-UHFFFAOYSA-N 293.355 3.579 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](CCC)c1ccccc1 172055818 YNIINBVURNROMT-UKRRQHHQSA-N 260.381 3.792 30 20 CHED C=CCOCCCC(=O)N[C@H](CC)c1ccc(Cl)cc1 173191833 BXONYHVVMIXXEV-OAHLLOKOSA-N 295.810 3.890 30 20 CHED Cc1ccc(C)c(NC(=O)NCc2cc(C#N)ccc2F)c1 174118075 BXYZIYLAERAWGE-UHFFFAOYSA-N 297.333 3.636 30 20 CHED Cc1ccc(OCCCNCC(C)(C)CCC#N)cc1 174329299 SOTGXKAHQYTKED-UHFFFAOYSA-N 274.408 3.684 30 20 CHED CCc1cccc2c(CCNCc3ccc(C#N)o3)c[nH]c12 174378152 OTBUANUJOKLSIU-UHFFFAOYSA-N 293.370 3.527 30 20 CHED N#Cc1cccc(C(=O)Nc2c(F)cccc2NC2CC2)c1 174508253 FTLBBNGPZPZXBB-UHFFFAOYSA-N 295.317 3.524 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H]2CCCC2(C)C)cc1 175868109 LBIFCFGWJQDUOO-CJNGLKHVSA-N 272.392 3.646 30 20 CHED C#CC[C@H](C)OC(=O)c1csc(-c2ccccc2F)n1 176226673 NHBAEWWWQKLNTM-JTQLQIEISA-N 289.331 3.518 30 20 CHED Cc1cc(C[S@@](=O)CCCC(C)(C)C#N)c(C)s1 178018224 ADKBPYKVHZAGSL-SFHVURJKSA-N 283.462 3.944 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 180442150 PGCRQSUKFBGOPG-ZIAGYGMSSA-N 297.320 3.843 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N(CC)c1ccc(C#N)cc1 180795549 KZCGACSISGPACT-STQMWFEESA-N 258.365 3.593 30 20 CHED CC[C@@H](C)[C@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 181571317 JGYVAXCQKOGGHJ-CVEARBPZSA-N 299.462 3.547 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1c(F)cccc1F 182608584 TYGODSXJCOBBKS-RYUDHWBXSA-N 281.346 3.929 30 20 CHED C[C@@H](Nc1cnn(-c2ccccc2)c1)c1cccc(C#N)c1 183384170 QFJFVKKJCGZUBO-CQSZACIVSA-N 288.354 3.917 30 20 CHED Cc1oc2ccccc2c1CNC(=O)C1(C#N)CCCCC1 184063459 HUGAAZNMZVSPCL-UHFFFAOYSA-N 296.370 3.832 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 185365030 YDRZDIRTVYQMID-AWEZNQCLSA-N 287.403 3.767 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(C)c1Br 185489300 WULACIUNHBXYNG-SNVBAGLBSA-N 297.196 3.844 30 20 CHED CC#CCCCC(=O)Nc1cccc2ccc(C)nc12 185644382 TXQARHGCOAQWQX-UHFFFAOYSA-N 266.344 3.675 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2occ(C)c2c1 185807437 UOXHFSCLJJBPID-UHFFFAOYSA-N 255.317 3.729 30 20 CHED C=CCCOCCN[C@H](C)c1cc2c(cc1O)CCCC2 186186160 TYISSLFTINAJEW-CQSZACIVSA-N 289.419 3.514 30 20 CHED Cc1cc(C#N)ccc1CSc1nncn1C(C)(C)C 186274220 ZQOCFFKDPUFFKW-UHFFFAOYSA-N 286.404 3.506 30 20 CHED Cc1cc(F)ccc1C[S@](=O)CCCC(C)(C)C#N 187199118 VEXKZYPLIILKTR-LJQANCHMSA-N 281.396 3.713 30 20 CHED C=C(C)[C@H](NCC(F)(F)F)c1ccc(F)c(F)c1 187776073 AUVNXTABTODQNW-NSHDSACASA-N 265.225 3.734 30 20 CHED C#CCSCCN[C@H](CCC)c1ccsc1 187788570 JHHYXECOZTYSCQ-CYBMUJFWSA-N 253.436 3.545 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](Nc2ccccc2)C1 188910986 OQKLGYOOQKJEFJ-WMZOPIPTSA-N 286.419 3.692 30 20 CHED C=CC[C@H](C(=O)N(C)[C@@H](CC)CSC)c1ccccc1 188961042 MCFVEFJZLKVJTK-HOTGVXAUSA-N 291.460 3.946 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)c(F)c2)C1 192049180 DLFJVNOGABLWLR-GJZGRUSLSA-N 292.423 3.803 30 20 CHED CCCCCCC(=O)Nc1cc(C#N)ccc1OCC 193547556 OKKXBIYLNWIAPO-UHFFFAOYSA-N 274.364 3.866 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2cc(F)ccc2F)c1 206975651 DWTDXEUDLXBMMU-DAXSKMNVSA-N 269.250 3.733 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1 220248977 SFXYCGSDCAGERV-YJBOKZPZSA-N 291.435 3.975 30 20 CHED N#Cc1ccc(OCc2ccc3ncccc3c2)c(F)c1 225280022 KNBGAAZHRIPSPJ-UHFFFAOYSA-N 278.286 3.825 30 20 CHED CCC(CC)(CNc1ccc(C#N)c([N+](=O)[O-])c1)SC 232969781 VRTNONOSHGXQBE-UHFFFAOYSA-N 293.392 3.800 30 20 CHED COc1ccc(/C=C\C(=O)C2CCCCC2)cc1O 255343158 PLZMPXMOSSDSQA-CLFYSBASSA-N 260.333 3.563 30 20 CHED C=CCCCON=C(C)c1ccc(NC(=O)C2CC2)cc1 255471427 KZNSNAURHVKDRL-UHFFFAOYSA-N 286.375 3.742 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(CCC(=O)O)c1 263514867 OJDPAJMJWMPBIG-CHWSQXEVSA-N 261.365 3.716 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc(CCC(=O)O)c1 263514879 OJDPAJMJWMPBIG-STQMWFEESA-N 261.365 3.716 30 20 CHED C=C1CCN(C(=O)c2ccc(CSCC)cc2)CC1 264217873 XPLMZSIOAWLXMP-UHFFFAOYSA-N 275.417 3.732 30 20 CHED C=CCC[C@@H](NCc1csc([C@H](C)OC)n1)C1CC1 269681670 IGDJEDPORFMWNQ-SMDDNHRTSA-N 280.437 3.685 30 20 CHED CC1CCC(N(C(=O)c2ccc(CC#N)cc2)C2CC2)CC1 270231078 ALZSHAMPCAGYBB-UHFFFAOYSA-N 296.414 3.936 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NCCCCCO 270543755 CYZLFOKKVJSASB-ZDUSSCGKSA-N 278.421 3.655 30 20 CHED COc1cc(Cl)c(CN(C)C[C@H](C)C#N)cc1Cl 271139852 ULEGZJJFFMBFSW-SECBINFHSA-N 287.190 3.593 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C)(C#N)CC1 272486999 BTKPEPHVWXVEAG-ZDUSSCGKSA-N 287.363 3.590 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cncc(C)c1)c1ccccc1 274417598 SYYAGKDGDIVRGT-MAUKXSAKSA-N 264.372 3.805 30 20 CHED C[C@@H](C#N)CN(C)C[C@H](C)c1cccc(Cl)c1 275755273 TXGKRAJCGXCWCZ-RYUDHWBXSA-N 250.773 3.535 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(N2CCCC2)c1 276166625 HXYPMGJMAWUCJT-QGZVFWFLSA-N 272.392 3.828 30 20 CHED C#CCCCC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 277012143 LSZYKJROBVFMAF-LLVKDONJSA-N 283.293 3.686 30 20 CHED C[C@@H]1CCN(C(=O)CC(C)(C)C#N)c2ccccc2S1 278583530 SGZXRTZPFSMLPP-GFCCVEGCSA-N 288.416 3.844 30 20 CHED CC[C@H](NCCC(O)(CC)CC)c1ccc(C#N)cc1 278815440 SCWWOAFCHSXEKC-INIZCTEOSA-N 274.408 3.540 30 20 CHED C=C(Cl)CN(CCC(F)(F)F)CC(F)(F)F 279941597 XHFVFSGGHSNRIV-UHFFFAOYSA-N 269.616 3.556 30 20 CHED CC#CC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 283223882 OFVBRRLSPJPSQO-ZDUSSCGKSA-N 298.411 3.661 30 20 CHED CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(C#N)ccc1Cl 285810945 MRNSRJJFQQXBLU-CMPLNLGQSA-N 276.767 3.615 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc3c(c2)CCC3)no1 290091949 KSNNSYDEERVIKC-HZPDHXFCSA-N 296.370 3.674 30 20 CHED CC[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1 291696463 KDDMSVYRWHVWEL-YOEHRIQHSA-N 272.392 3.625 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(CCSC)cc1 294701908 VJUDLYQVKVTXQZ-UHFFFAOYSA-N 263.406 3.743 30 20 CHED C=CC(C)(C)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 296018435 YXOGOWWDCLJSMO-GXTWGEPZSA-N 275.367 3.742 30 20 CHED CC[C@H](CCO)CNc1c(C#N)cnc2c(C)cc(C)cc12 301592640 ZMDHIMYBKSWMGN-CQSZACIVSA-N 297.402 3.544 30 20 CHED N#Cc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1Cl 301822061 MMIYKWBGNWJHAI-CFVMTHIKSA-N 288.778 3.581 30 20 CHED CC(C)Oc1ccc(Oc2cccc(C#N)n2)cc1 301843646 LAISRMYANIAYQB-UHFFFAOYSA-N 254.289 3.533 30 20 CHED N#Cc1ccc(NC2CCC3(CCCCC3)CC2)nn1 302776038 OSHNMLCFBMVJJK-UHFFFAOYSA-N 270.380 3.653 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@H](C)CC 302992829 JPBOIGSNSXBOBY-HUUCEWRRSA-N 274.408 3.819 30 20 CHED C#Cc1cccc(NCCCOc2ccccc2C)c1 303872768 IBYIPAKVBHDHNL-UHFFFAOYSA-N 265.356 3.857 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1cc(Cl)sc1Cl 309437065 HONXCTUWKCOJOV-YUMQZZPRSA-N 280.220 3.907 30 20 CHED C=C(Br)CNc1nccc2ccc(F)cc12 309609581 ZAQHDPNVFWZVQK-UHFFFAOYSA-N 281.128 3.694 30 20 CHED OC(C[C@@H]1CCOC1)=Nc1ccc2nc(C(F)F)[nH]c2c1 328899930 ZGNCWEQNTQITMQ-QMMMGPOBSA-N 295.289 3.515 30 20 CHED N#C[C@H]1CCC[C@H]1NC(=O)C1CCC(c2ccccc2)CC1 332133483 KNWJFODSIHTDMG-OPQOLIRYSA-N 296.414 3.769 30 20 CHED CCCC1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCC1 333503976 CZBJWXPUZUQNDK-QGZVFWFLSA-N 274.408 3.547 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)s1 335339642 NSBHRHJURRJPNW-CQSZACIVSA-N 296.395 3.640 30 20 CHED Cc1cc(N[C@H]2CC[C@H](C#N)C2)c2ncccc2c1 336422219 VQEUVNMDKVMKOD-JSGCOSHPSA-N 251.333 3.647 30 20 CHED N#Cc1csc(CNC[C@H]2CCCC(F)(F)C2)c1 337280594 HHYAIALKTGTHDL-JTQLQIEISA-N 270.348 3.535 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(C)C)nc1C 338863691 WZNJIPBDTFZTIL-UHFFFAOYSA-N 260.381 3.552 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)CCOCc2ccccc2)n1 340958158 CETRKSMSRFTSLL-OAHLLOKOSA-N 295.386 3.669 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC=CC[C@@H]1C 341165427 YWVUIWNRNRALES-MAUKXSAKSA-N 294.398 3.675 30 20 CHED CCCCn1ncc(NCc2ccc(C#N)cc2F)c1C 341254048 DXAPDIQXHBPQFS-UHFFFAOYSA-N 286.354 3.615 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccc2c(c1)oc1ccccc12 342946109 JUUDJTWGKASGAI-SFHVURJKSA-N 295.338 3.852 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(OCCCC)CC1 343620239 LRPUOCHEPVNKAJ-UHFFFAOYSA-N 279.424 3.563 30 20 CHED Cc1csc(NC(=O)[C@H]2CCC(C)(C)C2)c1C#N 344894110 MPFSNIAUASIPBC-JTQLQIEISA-N 262.378 3.693 30 20 CHED N#CCCCNC(=O)Nc1cccc(-c2cccs2)c1 345033071 NVADOORETOTREA-UHFFFAOYSA-N 285.372 3.840 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(SC)cn1 345218485 MCIUPZLRHBXOEG-LLVKDONJSA-N 279.409 3.670 30 20 CHED N#Cc1ccc(SCc2ccc3ccccc3n2)nc1 345427609 QCTAGWLATQHXME-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC(C)(F)F 345759747 QNDLBVWSSIVWGG-UHFFFAOYSA-N 294.345 3.588 30 20 CHED CC(C)(C)C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccccc1 346681694 ZHBBYXJCESUZQX-INIZCTEOSA-N 295.386 3.794 30 20 CHED COC1CCC(CCNc2ccc(C#N)cc2)CC1 347882984 PWJTZSCGVJRFEX-UHFFFAOYSA-N 258.365 3.565 30 20 CHED CC(C)(CCC#N)CN[C@@H](c1cccnc1)C1CCC1 348206877 MOBBSCDBINMCMN-MRXNPFEDSA-N 271.408 3.842 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccc(-c2ccccc2)cc1 349369657 URWJVQDSRPWUKK-AWEZNQCLSA-N 278.355 3.728 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc3ccccc3c2)C1 349827242 HREWWPKLJWZMLU-GUYCJALGSA-N 250.345 3.622 30 20 CHED N#CCSc1cccc(-c2nc(-c3ccoc3)no2)c1 350821532 VRIJVIRETOFLHO-UHFFFAOYSA-N 283.312 3.612 30 20 CHED C=CCCSc1n[nH]c(/C=C/c2ccc(C)o2)n1 351560672 RYZXAEPWLLUSRS-BQYQJAHWSA-N 261.350 3.545 30 20 CHED CC(C)(CCC#N)CNC(=O)NCc1ccc(Cl)s1 351577496 AJAMMPLYCCVMLI-UHFFFAOYSA-N 299.827 3.531 30 20 CHED C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(F)(C#N)CC1 352458773 OTTZNYGZMAYDSP-NSHDSACASA-N 298.308 3.677 30 20 CHED CC(C)[C@@H]1C[C@H](NCc2nc(C#N)cs2)c2ccccc21 352942388 NCHMUADCCDPHMS-HOTGVXAUSA-N 297.427 3.989 30 20 CHED CC1(CCNCc2cccc(OCCCC#N)c2)CC1 355172949 XWWWMTTZUCIVQU-UHFFFAOYSA-N 272.392 3.649 30 20 CHED N#Cc1c(CSCCC(F)(F)F)cn2ccccc12 358549033 WBCGYJZOERQCFX-UHFFFAOYSA-N 284.306 3.997 30 20 CHED N#Cc1ccc(SCc2nnc(C3CC3)n2C2CC2)cc1 360945601 FYUWLZYEADKIPL-UHFFFAOYSA-N 296.399 3.654 30 20 CHED CCc1cnccc1[C@@H](C)NCc1ccc(F)cc1C#N 361137469 VTTQLJULFGRMQD-GFCCVEGCSA-N 283.350 3.506 30 20 CHED COc1ccccc1[C@H]1CCCN1c1cc(C#N)cc(C)n1 367730609 TVUTWMHBTJTYAB-MRXNPFEDSA-N 293.370 3.612 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1F)COCc1ccccc1 390145755 QWFSUOQUVHBSRS-AWEZNQCLSA-N 298.361 3.962 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Oc1ccccc1Cl 410140661 BPEUWIYCLOOFSP-NWDGAFQWSA-N 281.783 3.578 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@](C)(C#N)C(C)(C)C 410668368 ALNQCFFFXNLROL-SWLSCSKDSA-N 252.402 3.503 30 20 CHED N#CC1(CCN2CCOC[C@H]2c2ccccc2)CCCCC1 411306258 YTBDFPUOLMLWPH-SFHVURJKSA-N 298.430 3.924 30 20 CHED N#Cc1c(Cl)cccc1SC[C@H]1CCCC[C@@H]1O 412996947 GHUGLBAERYKPAS-MFKMUULPSA-N 281.808 3.855 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1=C(C)CCC1 413986649 MITMBQMKOKFQSO-INIZCTEOSA-N 269.388 3.790 30 20 CHED CC[C@H](N[C@@H]1COCc2ccccc21)c1ccc(C#N)cc1 417342166 CGXQKHWOYHSFSK-RBUKOAKNSA-N 292.382 3.870 30 20 CHED CC(C)(C)[C@@H](Nc1cncc(C#N)n1)c1ccccc1 420599352 LGYFFVGLKQHVOP-HNNXBMFYSA-N 266.348 3.548 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1c1ncccc1C#N 420646029 VNFRETMWAJGXRA-INIZCTEOSA-N 277.371 3.726 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](CC)c1ccc(OC)cc1 425415687 HDSZRTGPKKKKAW-HNNXBMFYSA-N 275.392 3.865 30 20 CHED COC1(CCN(C)[C@@H](C)c2cccc(C#N)c2)CCC1 425537756 RBBFIMZMTHATHI-AWEZNQCLSA-N 272.392 3.510 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](Cc1ccc(C)cc1)C1CC1 436304979 GFJRHPLHCDXIDK-AABGKKOBSA-N 299.458 3.887 30 20 CHED Cc1ccc(F)c(-c2noc(Cc3ccc(C#N)cc3)n2)c1 445444752 XUDHRDPOTITWML-UHFFFAOYSA-N 293.301 3.647 30 20 CHED N#C[C@H]1N(CC2CCCCCC2)CCC[C@@]12CCCCO2 447907561 SGNISIMPZZQDQF-MSOLQXFVSA-N 290.451 3.884 30 20 CHED C=CCC1(C(=O)NCC#Cc2ccccc2)CCCCC1 448635228 YBTKCATWAPBXGP-UHFFFAOYSA-N 281.399 3.681 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)N[C@H](C)c1ccc(C#N)cc1 448664227 LIVISJKDMLQGEK-PWSUYJOCSA-N 298.308 3.714 30 20 CHED C=C(C)CCNCc1cnc(C2CCCC2)s1 449470245 ALKOPYGZYAOPNA-UHFFFAOYSA-N 250.411 3.857 30 20 CHED C=CC(C)(C)CN[C@H]1CCC[C@H](c2cccnc2)C1 449484299 GBILMROVUHZLPW-HOCLYGCPSA-N 258.409 3.910 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1c1ccc(C#N)cn1 450598974 JYEAWTFQTAEMDP-CPUCHLNUSA-N 277.371 3.724 30 20 CHED N#CC1(CN[C@@H]2CCC[C@H]2c2ccc(F)cc2)CCC1 450737797 KTVGNRWIZXELOI-JKSUJKDBSA-N 272.367 3.745 30 20 CHED N#CC1(CN2CC=C(c3c(F)cccc3F)CC2)CCC1 450762509 UEMWSMPWILHFIQ-UHFFFAOYSA-N 288.341 3.748 30 20 CHED CCCc1nc(C)c(COc2ccc(C#N)c(F)c2)o1 450846604 UHYFDMNWHMCFOU-UHFFFAOYSA-N 274.295 3.525 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1ccccc1 451140732 CHYBFFKWORBAQQ-YQFWSFKMSA-N 259.393 3.849 30 20 CHED C=CCCCCNC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 454803102 FAQAOYHASCDBLI-KGLIPLIRSA-N 264.413 3.563 30 20 CHED C=CCC1(NC(=O)c2cc(OC)cs2)CCCCC1 456372841 VGZJSVUXROZJMN-UHFFFAOYSA-N 279.405 3.766 30 20 CHED C=CCC1(NC(=O)CSCCC)CCCCC1 456382534 NQEODXYIKMRVSE-UHFFFAOYSA-N 255.427 3.525 30 20 CHED C=CCn1cccc1C(=O)N(C(C)C)C1CC(C)(C)C1 457078907 UAIUFMQNZRYHRJ-UHFFFAOYSA-N 274.408 3.713 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC(=O)C[C@@H](CC#N)c1ccccc1 457986542 GJZSGXFCAWKTOF-BRWVUGGUSA-N 284.403 3.625 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H]1CCCC[C@H]1CC 459085791 WALRPPGUTOPUGD-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED CC(C)(CC#N)CNCc1cccc(Cl)c1F 459728845 JDHPAOKAYMKXGH-UHFFFAOYSA-N 254.736 3.509 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)CC[C@H]1C 460386289 IBNLVPAIXXWWLC-RRFJBIMHSA-N 290.455 3.993 30 20 CHED C[C@@H]1CCN(CCCSCC#N)CC12CCCCC2 462451683 KGHAYTIKFSSJAW-OAHLLOKOSA-N 280.481 3.926 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](C)C[C@@H](C)CC)cc1 463905907 PIQOIOXKNAOTHH-UONOGXRCSA-N 275.392 3.806 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Cl)cc1-n1cccc1 465250839 HXTOPURBLSKKFD-NSHDSACASA-N 289.766 3.827 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)C1CCC(C)(C)CC1 466384787 VSCQTTKXCQWZMD-ZDUSSCGKSA-N 266.429 3.951 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1c(F)cccc1F 467741508 RQUPOHKRGPATIT-ZUZCIYMTSA-N 267.319 3.744 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 468015416 DRTPMJOLKATILH-MAUKXSAKSA-N 273.420 3.953 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2ccccc2n1CCC 469377118 MWWSQIRXUVGJIW-CYBMUJFWSA-N 270.376 3.746 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccccc1OC 470643913 IFTKPDHZBQKUFY-UHFFFAOYSA-N 295.382 3.914 30 20 CHED C=CCCCN(CC)[C@H](COC)Cc1ccccc1 472314693 MHYNDVNGTBCMGQ-KRWDZBQOSA-N 261.409 3.532 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]1COCC 474726647 GEHYQWSVANXQFC-IAGOWNOFSA-N 289.419 3.546 30 20 CHED C=CCOCCCOc1cccc(Oc2cccnc2)c1 478788731 VFADHVPSJLCTPX-UHFFFAOYSA-N 285.343 3.845 30 20 CHED C=CCCS(=O)(=O)N[C@@H](CC(C)C)c1ccccc1C 480991839 NLVHYRLSFTUTES-INIZCTEOSA-N 295.448 3.578 30 20 CHED C=CCCCC(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 482860214 AFFQRTGQFAQGBW-UONOGXRCSA-N 275.367 3.934 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1c1cccc(C)c1 489066855 FKOVNAKASMBNSJ-QGZVFWFLSA-N 294.398 3.960 30 20 CHED CCCC[C@@H](CCC)NC(=O)NCc1cccc(C#N)c1 497830815 FGYPSHGYZJQTDM-MRXNPFEDSA-N 287.407 3.716 30 20 CHED CC[C@@H]1C[C@@]1(NCc1cc(C#N)n(C)c1)c1cccc(C)c1 500480940 IAVLFYRQLOFUEV-APWZRJJASA-N 293.414 3.620 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H](C)CCCC 500850707 SVCXYGHCIJPWMJ-AWEZNQCLSA-N 275.392 3.694 30 20 CHED C=C(C)CCc1noc(-c2coc3ccccc23)n1 508596515 SRTSVPJDRDVACR-UHFFFAOYSA-N 254.289 3.992 30 20 CHED C=C(C)CCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 508991513 PESIQDVHPHMNBI-ZDUSSCGKSA-N 287.382 3.937 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(C#N)c2)C1 509346259 VHAFOFNCOGOSBY-SJORKVTESA-N 299.418 3.572 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(C#N)c1F 512457819 WASDTWRPDBXOFM-IOASZLSFSA-N 272.367 3.850 30 20 CHED C=CCCCC[C@H](C)NC1CCN(c2nccs2)CC1 513463306 LFJMLWVHBWSPIY-AWEZNQCLSA-N 293.480 3.836 30 20 CHED C=CCN(CC=C)C(=O)CSC/C=C\c1ccccc1 514305457 IEFZOJGIRJKNDW-FLIBITNWSA-N 287.428 3.634 30 20 CHED N#CC1(CCS(=O)(=O)CC2CCCCC2)CCCCC1 520366547 ANNDKTDABCAWCD-UHFFFAOYSA-N 297.464 3.846 30 20 CHED CCC(C#N)(CC)C(=O)NCc1c(Cl)cccc1Cl 527855745 VQRZFRGUUGXVKE-UHFFFAOYSA-N 299.201 3.940 30 20 CHED CCC(C#N)(CC)c1nc(CCCc2ccsc2)no1 528143420 RWIDQMDLPIYACH-UHFFFAOYSA-N 289.404 3.888 30 20 CHED C=C(C)[C@@H](CC(=O)NCC1CCC(C)(C)CC1)OCC 534015287 VQWMUJUKTKQVMJ-OAHLLOKOSA-N 281.440 3.690 30 20 CHED N#Cc1ccc(N2CCCC23CCCCC3)c([N+](=O)[O-])c1 534633702 AHSYCWFOSNBAQR-UHFFFAOYSA-N 285.347 3.770 30 20 CHED CC[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccc(C)cc1 541036977 PNQGFBZHWAFXEY-QGZVFWFLSA-N 299.418 3.781 30 20 CHED CCCC[C@@H](C)[C@@H](C)NCCc1cccc(C#N)c1 558167035 WODVZWXCXMTLME-HUUCEWRRSA-N 258.409 3.905 30 20 CHED C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccccc21 558384325 UNSRFSTZQZOGMY-NSHDSACASA-N 296.757 3.976 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)N1CCC[C@H](CC)C1 559707455 ASCXJFWSRMJLII-HNNXBMFYSA-N 294.483 3.606 30 20 CHED C=CCN(CCOC)[C@H](C)c1cccc(Cl)c1 561634082 CUDUXJKCEMPAPX-GFCCVEGCSA-N 253.773 3.535 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2c2cc(C#N)ncn2)cc1 564518846 CBGGVQXHFOIIKQ-KSSFIOAISA-N 292.386 3.634 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCC[C@H](F)C1 564906466 XGYSCZPZRCKBIC-UWVGGRQHSA-N 287.260 3.665 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(SC)s1 565591692 VVNAMRDEDGLNQD-RISCZKNCSA-N 283.462 3.541 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC[C@H]2C[C@H]21 568298820 FAJNJJYJRNNNGM-NUEKZKHPSA-N 257.377 3.530 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C2CC3(CCC3)C2)cc1 569469275 SCXQGMJRADKBBP-KRWDZBQOSA-N 296.414 3.852 30 20 CHED Cc1cc(C(=O)NCC2(C#N)CC2)sc1-c1ccccc1 571059328 QYHBELYUCHAHOQ-UHFFFAOYSA-N 296.395 3.757 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)N2CCC(CCC#N)CC2)CC1 572597331 HCUBQPBIFJIVFU-GOEBONIOSA-N 291.439 3.681 30 20 CHED CCC1(CC)CCC(NC[C@H](C#N)CCC#N)CC1 574750243 LMJZOHHSPFNINU-AWEZNQCLSA-N 261.413 3.769 30 20 CHED CC#CCCN1CCCC[C@H]1c1nc2ccccc2n1C 575965431 QVYAJFRLMNFFNU-KRWDZBQOSA-N 281.403 3.514 30 20 CHED C=CCCN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 576601095 WVRRAKRVZSVCRZ-UHFFFAOYSA-N 293.382 3.541 30 20 CHED CC(C)[C@@H](c1ccccc1)N(C)Cc1ccc(C#N)cn1 578903412 GICPOHJISRVZAJ-SFHVURJKSA-N 279.387 3.782 30 20 CHED C=CCCCCN(Cc1ccccc1)C[C@H](C)C(=O)O 580779022 VFBPSRIBYSZONO-HNNXBMFYSA-N 275.392 3.566 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 582258870 NYJFUTPLXBLWQS-KRWDZBQOSA-N 286.419 3.714 30 20 CHED CN(CC1(C#N)CCC1)[C@@H]1CCCc2ccccc21 583184483 MNUCMUKJGOPLKK-MRXNPFEDSA-N 254.377 3.690 30 20 CHED C=C(CC)CN1C[C@@H](c2ccccc2C)OC[C@@H]1C 583338184 DSKZHFNZBRNVAZ-RDJZCZTQSA-N 259.393 3.723 30 20 CHED CC(C)c1ccc2occ(C(=O)NCC(C)(C)C#N)c2c1 587996688 DMAARTCBTUINHC-UHFFFAOYSA-N 284.359 3.836 30 20 CHED N#CCCCCCC(=O)Nc1cccc(-c2ncco2)c1 588162451 NWJXFMHVRXMSMI-UHFFFAOYSA-N 283.331 3.754 30 20 CHED N#Cc1ccc(CN(C(=O)CCCC2CC2)C2CC2)cc1 589688608 KLGIGBCULJUEKA-UHFFFAOYSA-N 282.387 3.630 30 20 CHED CCC(CC)[C@H](NC(=O)[C@H](C#N)CC)c1cccs1 593417535 VIYCSRAWBMZLOZ-JSGCOSHPSA-N 278.421 3.891 30 20 CHED N#CCC1(CSc2ccc([N+](=O)[O-])cc2F)CC1 594894395 COIXQUDYQVDNDF-UHFFFAOYSA-N 266.297 3.520 30 20 CHED CO[C@@H](CN1CCC[C@@H](CC#N)C1)c1ccc(Cl)cc1 595622886 FJIZICUHSOVFNK-BBRMVZONSA-N 292.810 3.653 30 20 CHED N#CCc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cc1 595704872 RIVJSWVPEYQRTL-GOSISDBHSA-N 280.346 3.839 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](Oc2ccccc2)C1 595830474 FHFHJIXHWKDCCG-LJQANCHMSA-N 292.382 3.520 30 20 CHED Cc1c(C(=O)N[C@@]23CCC[C@H]2C3)sc2ccc(C#N)cc12 597889305 LSFSMPQAVLHKPN-YVEFUNNKSA-N 296.395 3.754 30 20 CHED CCN(C(=O)c1cccc2c1ccn2CC(C)C)[C@H](C)C#N 598361709 OMQBMUKIGGVHDK-CQSZACIVSA-N 297.402 3.671 30 20 CHED CCN(C(=O)CC(C)(C)C1CCCCC1)[C@@H](C)C#N 598362458 FPIMJFAJUMSRFG-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED N#CCCN(Cc1ccco1)Cc1cc(O)ccc1Cl 599308002 QJOVNDNXEHJFIG-UHFFFAOYSA-N 290.750 3.554 30 20 CHED Cc1nc(S[C@@H](C#N)C2CC2)[nH]c1Cc1ccccc1 601069797 KKYLTXJMGNXCHP-HNNXBMFYSA-N 283.400 3.703 30 20 CHED CCN(CC)[C@@H](CNC[C@@H](C)CCC#N)c1ccccc1 602501042 CPFHQCLDMFLOES-WMZOPIPTSA-N 287.451 3.599 30 20 CHED CCCn1ncc(NC[C@@H](C)CCC#N)c1C1CC1 602680517 UTIBNEKCRULLNA-LBPRGKRZSA-N 260.385 3.522 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CC(C)(C)Oc2ccc(F)cc21 602699285 PJJGTRWVOQUWQU-IUODEOHRSA-N 290.382 3.957 30 20 CHED COCc1cc(C#N)ccc1NC[C@@H](C)CC(F)(F)F 603394843 NBNYNWCAXHYQCI-JTQLQIEISA-N 286.297 3.705 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]21 603847451 WBYCAHAVIGDZKH-OLMNPRSZSA-N 268.404 3.959 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](CCC)Cc1ccccc1 604898011 WPZOGMQSRNZCII-HOCLYGCPSA-N 274.408 3.662 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc2cc(F)ccc2s1 608820889 KGIMIGJYXZIOAN-GFCCVEGCSA-N 290.363 3.708 30 20 CHED Cc1ccc(CC(=O)N(C)c2ccc(C#N)cc2F)cc1C 609216679 STEGPHKPRSTGAT-UHFFFAOYSA-N 296.345 3.520 30 20 CHED Cc1cccc2c(N3Cc4ccccc4C3)c(C#N)cnc12 610277395 BPUWGQTUDGPGPI-UHFFFAOYSA-N 285.350 3.935 30 20 CHED COc1ccccc1[C@@H]1CCCCN1c1cccc(C#N)n1 611204168 XMADCUUTGOOTCC-INIZCTEOSA-N 293.370 3.693 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1sccc1C(C)C 611250524 KHKLEFYQSMPWLV-LLVKDONJSA-N 264.394 3.540 30 20 CHED Cc1ccnc(N2CC(C)(C)[C@@H]2c2ccccc2)c1C#N 612072277 OKVRGDUKNUSDKP-INIZCTEOSA-N 277.371 3.849 30 20 CHED N#Cc1ccccc1/C=C\c1nc([C@H]2CCCS2)no1 612949539 VQPFIBGQPVPORL-MEJMFZKBSA-N 283.356 3.680 30 20 CHED CC(C)c1ccccc1NC(=O)c1cc(O)cc(C#N)c1 614294159 UXWSXZJKTCAKHR-UHFFFAOYSA-N 280.327 3.640 30 20 CHED CCC(O)(CC)CCNc1nc(C(C)(C)C)ccc1C#N 615949716 BSYLZKUXCUREQT-UHFFFAOYSA-N 289.423 3.604 30 20 CHED CCc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)s1 618741600 GWDMDVBJFWPVSW-KRWDZBQOSA-N 282.412 3.959 30 20 CHED COc1ccccc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 618803515 XMAQNROLPYNKMF-ACJLOTCBSA-N 292.382 3.905 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2cccs2)CCCC1 619108338 SPEUAKBFAKNEDK-GFCCVEGCSA-N 263.406 3.857 30 20 CHED CC1CCC(NCc2ccc(C#N)c(Cl)c2)CC1 619748854 QWTHENGHUOUCLX-UHFFFAOYSA-N 262.784 3.880 30 20 CHED C=CCN(C(=O)c1ccn(C(CC)CC)n1)C(C)(C)C 622944286 LWJGLROGXVOLPS-UHFFFAOYSA-N 277.412 3.671 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 626687553 ZEISMBWAOLAYIR-YESZJQIVSA-N 269.388 3.666 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(Cl)cc1Cl 636573522 YRWZEYMPYOFSMN-UHFFFAOYSA-N 273.163 3.929 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc(CN)cc1F 650756263 XXDDFDADZPGVMT-CYBMUJFWSA-N 264.388 3.509 30 20 CHED C=C(C)CN(C)[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1 652430468 DLQZYTHBZWDLJO-GFCCVEGCSA-N 288.174 3.627 30 20 CHED C=C[C@@H](CC(=O)NC1CC2(CCC2)C1)c1ccccc1 652970173 BRPZJIHUKPWXNI-AWEZNQCLSA-N 269.388 3.795 30 20 CHED C=CC[C@H]1CCCC[C@@H]1Nc1cnn(Cc2ccccn2)c1 657956076 OOHSNZHAANIKFD-YJBOKZPZSA-N 296.418 3.873 30 20 CHED C=CCCNC(=O)N[C@@H](C)c1cccc(C2CC2)c1 661246626 DUWLUHHXDCHORX-LBPRGKRZSA-N 258.365 3.500 30 20 CHED C=CCC1(N[C@H]2CCC[C@H](C(C)C)C2)CCOCC1 668551242 IHNODRPTFFKHDS-HOTGVXAUSA-N 265.441 3.916 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCc2cccc(Cl)c21)OCC 677379903 XCGBIEXPFPIYHZ-CQSZACIVSA-N 293.794 3.600 30 20 CHED N#Cc1cc(Br)ccc1NCCCC(F)F 688771772 QHQXPONXBPWTJC-UHFFFAOYSA-N 289.123 3.778 30 20 CHED Cc1cccc2c1C/C(=C/c1ccccc1F)C2=O 729151318 RBURETGHMYXLKR-LCYFTJDESA-N 252.288 3.957 30 20 CHED C#CCOc1cccc(OC(=O)CCc2cccc(C)c2)c1 730497174 BZGZYCLYXXKYJO-UHFFFAOYSA-N 294.350 3.545 30 20 CHED C[C@H](C#N)OC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730615313 UIGMTOYLYJNKHM-GGVZMXCHSA-N 284.142 3.552 30 20 CHED N#CCCN(C(=O)C=C(C1CC1)C1CC1)c1ccc(F)cc1 732094656 ZICBTRWMKAIRHI-UHFFFAOYSA-N 298.361 3.819 30 20 CHED C=C(Cl)CN(CCc1cccc(F)c1)C1CC1 733841632 FHGLJXXLXBUWKN-UHFFFAOYSA-N 253.748 3.585 30 20 CHED C(=NNc1cccnn1)c1cc(-c2ccccc2)cs1 735976750 MOEDXDLAGJMYNN-UHFFFAOYSA-N 280.356 3.651 30 20 CHED FC(F)(F)c1cccc(NN=Cc2ccsc2)n1 739421187 GDFFEFWTJWSCAJ-UHFFFAOYSA-N 271.267 3.608 30 20 CHED CC(C)(C)CCCNC(=O)c1ccccc1SCC#N 739782968 NYUGOUAHEJBWQR-UHFFFAOYSA-N 290.432 3.858 30 20 CHED C#CCN(CC#CC)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 742003041 JVSGLGNPDJFMLJ-QGZVFWFLSA-N 295.426 3.789 30 20 CHED CCOc1ccc(/C=N/Cc2c(C)cccc2F)c(O)c1 743041888 FTWJDYSMCKXCAA-VXLYETTFSA-N 287.334 3.858 30 20 CHED C#CCCCNC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 743693328 RSQRAJYEUVBMAN-UHFFFAOYSA-N 286.419 3.539 30 20 CHED C=C(C)CCOC(=O)Cc1ccc(OCC(C)C)cc1 744304018 KPEVKCIATIFDJN-UHFFFAOYSA-N 276.376 3.773 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2nc(C)cc(C)n2)cc1 747624007 GYVYEVJROMFFFZ-CYBMUJFWSA-N 298.390 3.694 30 20 CHED CCCCC(=O)OCC#Cc1ccc(C(F)(F)F)cc1 748490796 CRKVQFADFMNQTN-UHFFFAOYSA-N 284.277 3.790 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@@H](SCC)C1)C(C)C 748968136 MZPGLBXQLQACCP-ZIAGYGMSSA-N 284.469 3.657 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 749613361 UXSCFEJZZWUANN-KRWDZBQOSA-N 283.375 3.713 30 20 CHED CC(C)CON=Cc1ccc(Cl)c2cccnc12 749635984 BYYHBTMMZMIEAX-UHFFFAOYSA-N 262.740 3.895 30 20 CHED CC(C)Oc1cccc(OC(=O)c2ccc(C#N)s2)c1 750707058 SMOUBCKMCTXTCC-UHFFFAOYSA-N 287.340 3.626 30 20 CHED Cc1ccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c(C)c1 750784213 NQFREGLQDMMZCL-QGZVFWFLSA-N 293.366 3.843 30 20 CHED CCC(CC)NN=C(C)c1ccc(-n2ccnc2C)cc1 751528424 GGEAMGXZMPZOMI-UHFFFAOYSA-N 284.407 3.683 30 20 CHED CCCCC[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)C(C)C 753165076 WTSRDYORXZXJIZ-RDJZCZTQSA-N 278.440 3.991 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)O[C@@H](C#N)C1CC1 753991378 OOLUVAILGHIQDG-INWMFGNUSA-N 283.371 3.821 30 20 CHED C/C(=C\C(=O)N[C@H](C#N)C(C)(C)C)c1cccc(Cl)c1 754392451 RQUOFIWAUSAKTH-BMGYJQCNSA-N 290.794 3.798 30 20 CHED Cc1cc(C)c(O)c(CN(C)c2ccc(C#N)cc2F)c1 754768752 FGYFFFUAXCDOCG-UHFFFAOYSA-N 284.334 3.656 30 20 CHED CCCCCCCCNC(=O)c1cccc(OC)c1OC 754848486 AKOSJNUSGKWZJJ-UHFFFAOYSA-N 293.407 3.794 30 20 CHED C#CC(C)(C)NC(=O)CCCc1csc2ccccc12 755375876 CVDIBMNJKVMWBS-UHFFFAOYSA-N 285.412 3.752 30 20 CHED CCn1nc(C)c(C=NNc2ccc3ccccc3n2)c1C 755487120 DOPSBFHFSYNLRJ-UHFFFAOYSA-N 293.374 3.514 30 20 CHED Cc1cccc(C)c1C=NNCc1cc(F)ccc1F 755650520 JEAUYZYLXPJSHN-UHFFFAOYSA-N 274.314 3.705 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)[C@H]1C[C@@H]1c1ccccc1 755702524 ZTEMFAQVVBMIMB-NVXWUHKLSA-N 287.366 3.858 30 20 CHED Cc1nc(Cl)cc(NN=C[C@@H](C)c2ccc(F)cc2)n1 756895863 YOBWPISCBUJXPW-SECBINFHSA-N 292.745 3.779 30 20 CHED CC(C)c1ncc(C=NNc2nc3ccccc3n2C)s1 758372563 OIQXINYGBKSDFB-UHFFFAOYSA-N 299.403 3.599 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccccc1OCC 759006217 DBSNCOSPJFUQDS-UHFFFAOYSA-N 274.360 3.897 30 20 CHED COc1cc(F)cc(NN=Cc2ccccc2Cl)c1 759207502 ZDCMJVWAWHRLHK-UHFFFAOYSA-N 278.714 3.934 30 20 CHED C[C@H]1CC[C@@H](CC(=O)OCc2ccc(F)cc2C#N)C1 759399988 IEEAHDFCZPAWLX-NWDGAFQWSA-N 275.323 3.567 30 20 CHED CC#CCCOC(=O)[C@H](C)Sc1ccccc1Cl 760288605 AGHVGKPUGFOGFR-NSHDSACASA-N 282.792 3.777 30 20 CHED CC(C)CC1CCN(c2ncc(C#N)cc2Cl)CC1 760496739 UKVPHZONKXVGCZ-UHFFFAOYSA-N 277.799 3.869 30 20 CHED C#CCCN(Cc1cc(F)ccc1F)C1CCCC1 760845703 YXPNWNQEIDTHCQ-UHFFFAOYSA-N 263.331 3.733 30 20 CHED COc1cc(F)ccc1NN=C1CCCNc2ccccc21 761884092 FBVWSVKDAUJWJD-UHFFFAOYSA-N 299.349 3.856 30 20 CHED C#CCCCNc1ccc(Cl)cc1OC(F)F 762535175 VUBNKYHZHPEOEZ-UHFFFAOYSA-N 259.683 3.767 30 20 CHED C=CCCOC(=O)[C@@H](C)Sc1nc2ccccc2s1 762902049 SEPNWPILFSFCNK-SNVBAGLBSA-N 293.413 3.896 30 20 CHED CCN(CC)c1ccc(/C=N\[C@H]2CCC(F)(F)C2)c(O)c1 763096230 IBYUQTQDDHEJJK-JFENUBAZSA-N 296.361 3.845 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2F)s1 763179929 UNCNLDCZOYMXNN-UHFFFAOYSA-N 264.325 3.650 30 20 CHED CCn1nccc1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 763291047 UOYQUAYNAXIBQG-LUYJPIOASA-N 278.355 3.603 30 20 CHED CC(C)=CCC/C(C)=C\C=NNc1ccc(C(=O)O)cn1 763377675 SKJJKEZTNWPXFQ-FPVBTWCSSA-N 287.363 3.870 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1C[C@]12CCOC2 763509539 IMSQWFRTBAOXAW-RDJZCZTQSA-N 281.440 3.670 30 20 CHED C#CCN(CC)C(=O)c1c(Cl)ccc(Cl)c1Cl 764210344 MQDZLMYRAXUOPR-UHFFFAOYSA-N 290.577 3.742 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2c(C)cccc2C)c1 766503305 WEQRFTVZIJMJGL-BQYQJAHWSA-N 284.311 3.579 30 20 CHED CC#CCOC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 766980457 CJRYJVXIFOHVEH-HOTGVXAUSA-N 280.408 3.709 30 20 CHED C#CCC(C)(C)C(=O)OCc1cccc(F)c1Cl 767121219 ANKCSSGWLWKNHX-UHFFFAOYSA-N 268.715 3.572 30 20 CHED CCc1ccc(/C=C\C(=O)c2cncc(C)c2)s1 767366824 NOQNEEYHVJVUEK-SREVYHEPSA-N 257.358 3.910 30 20 CHED C=C(Cl)CN(CCO)Cc1ccc(Cl)c(Cl)c1 767791826 DGPIUJSZIBBCHD-UHFFFAOYSA-N 294.609 3.540 30 20 CHED CC/C=C(\C)C(=O)OCc1ccccc1C(C)(C)C#N 767986767 AWOAJTWCKYWKQX-MDWZMJQESA-N 271.360 3.887 30 20 CHED Cc1cc(C)cc(C=NNc2cc(C#N)cc(Cl)n2)c1 768382699 XFALMZAJWTUEED-UHFFFAOYSA-N 284.750 3.670 30 20 CHED C#C[C@H](C)N(C)Cc1nc(-c2ccccc2Cl)cs1 769977288 DVUXVIAYZRJYIT-NSHDSACASA-N 290.819 3.917 30 20 CHED CC1(C)Cc2cc(NCc3cccc(C#N)c3)ccc2O1 770592383 IWLMNGZIZSKXFB-UHFFFAOYSA-N 278.355 3.884 30 20 CHED C#CCCCCNC(=O)N1CCCC(C)(C)[C@@H]1CC=C 770740725 RTFGHKUHQJKOOQ-HNNXBMFYSA-N 276.424 3.566 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H](C)c2ccc[nH]2)CCCC1(C)C 770768193 REOSHMYUTKKVJD-HIFRSBDPSA-N 289.423 3.852 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2CCCC2(C)C)c1 772023264 PMPIBHUEGSESBH-MRXNPFEDSA-N 269.388 3.847 30 20 CHED C[C@@H](/N=C\c1ccccc1O)c1ccc(N(C)C)cc1 773908876 YLCINJWQRVIBGF-FDIDITGRSA-N 268.360 3.638 30 20 CHED CC(=NOC1CCOCC1)c1oc2ccccc2c1C 774430753 IQKYEYYUJLDREV-UHFFFAOYSA-N 273.332 3.661 30 20 CHED C#CCOc1ccccc1OCc1ccc(Cl)cc1C#N 774759932 FBEAPGFJPNADCX-UHFFFAOYSA-N 297.741 3.803 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H](C)c1ccc(C)cc1 775259817 YHCMDFLCTPDQDN-AWEZNQCLSA-N 297.354 3.873 30 20 CHED C=CCOc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1 776372402 MUBSSRAEKOHMLF-QGZVFWFLSA-N 299.370 3.881 30 20 CHED C=C(C)COC(=O)c1cc(C)n(-c2ccccc2Cl)n1 776436941 XRJYTNKVJDGVEU-UHFFFAOYSA-N 290.750 3.567 30 20 CHED CCCCCCCN[C@@H]1CC[C@@H]2SCCS[C@H]21 776747473 YNYCTNIWMLOCCK-RDBSUJKOSA-N 273.511 3.926 30 20 CHED C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 777671152 QZIXTZGGWDYBKZ-JTQLQIEISA-N 278.783 3.624 30 20 CHED C=CCC[C@@H](C(=O)OCCCC(C)=O)c1ccccc1 778559760 UYLYGUCKRGZHCC-MRXNPFEDSA-N 274.360 3.649 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1ccc(C)cc1 779806378 QKCBVYKUEIWAMP-OAHLLOKOSA-N 257.377 3.756 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2csnn2)cc1 779859359 HCUFHYMNZQANMK-UHFFFAOYSA-N 299.399 3.727 30 20 CHED C#CCCCCCC(=O)Nc1ccc2scnc2c1 779887615 MGYHWXKWEHFCQA-UHFFFAOYSA-N 272.373 3.819 30 20 CHED CC(Cc1ccccc1F)=NNc1cc(Cl)nc(C)n1 780228306 YZSNHOQIHJGPFY-UHFFFAOYSA-N 292.745 3.608 30 20 CHED O=C1c2ccccc2CN1N=Cc1ccccc1C1CC1 781596359 AXEAQJQWCYMLET-UHFFFAOYSA-N 276.339 3.554 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)Cc2ccc(F)cc21 782341296 IPLCJTWNKAXUDB-IZZDOVSWSA-N 285.343 3.982 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CCCc2ccsc2)C1 783506729 VUKGHCLZSJYWGQ-BBRMVZONSA-N 290.432 3.659 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccccc1[N+](=O)[O-] 783772586 MVLZJPQKJVHMIY-RYUDHWBXSA-N 261.325 3.819 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)[C@H]1CCCO1 783854621 XIVAMQRXYYCDPX-LLVKDONJSA-N 273.163 3.960 30 20 CHED COc1cc(C)c(C(C)=NO[C@H]2CCCCO2)cc1C 783862255 LGKGHJQRTZJDHK-INIZCTEOSA-N 277.364 3.579 30 20 CHED CCS[C@H](C(=O)OCCCC(C)(C)C#N)C(C)C 785823717 DZZRVTYNKABYDE-LBPRGKRZSA-N 271.426 3.637 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl 785996900 PJHXMTVYMUOGQC-GFCCVEGCSA-N 280.755 3.789 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H](c1ccccc1)c1cccnc1 786397100 DPLLXMUZWRNQFM-KRWDZBQOSA-N 294.354 3.654 30 20 CHED COc1cccc(NN=C(C)c2csc(Cl)c2)n1 787162290 MJHMKWZBISCHMY-UHFFFAOYSA-N 281.768 3.641 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cccc(Cl)c1Cl 788037491 WANSWJDWOAXCQA-SNVBAGLBSA-N 288.174 3.771 30 20 CHED C#C[C@H](OC(=O)c1ccco1)c1ccc(Cl)cc1F 788152655 GYFACCNUUIADAW-LBPRGKRZSA-N 278.666 3.603 30 20 CHED C#CCC1(C(=O)NCCc2cccc(C)c2)CCCCC1 788190312 CSLGEHJBKGXQGE-UHFFFAOYSA-N 283.415 3.628 30 20 CHED CCCC[C@@H]1CCCC1=NN[C@H](CO)c1ccccc1 788458583 ZIOLMNPRCFPYSP-RHSMWYFYSA-N 274.408 3.656 30 20 CHED CC[C@@H](C)NN=Cc1ccc(Cl)cc1Br 790184510 WZQFXXKLIXELHE-MRVPVSSYSA-N 289.604 3.825 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NN[C@@H](C)C(C)(C)C)cc1 793112473 SPRSLLBIUMYOQZ-ZDUSSCGKSA-N 284.407 3.743 30 20 CHED C[C@@H](NN=C(C[C@@H]1CCOC1)c1ccccc1)C(C)(C)C 793112926 YDCPTXUNKGKBRZ-CABCVRRESA-N 288.435 3.842 30 20 CHED CC(C)[C@@H](C=NNc1cncc(Cl)n1)c1ccccc1 794492693 XQGNBYQFFDYNQQ-CYBMUJFWSA-N 288.782 3.968 30 20 CHED C[C@@H](ON=C1CCOc2ccccc21)c1cccc(C#N)c1 794714336 FTABVDFQRFGSGR-CYBMUJFWSA-N 292.338 3.823 30 20 CHED C=CCNN=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1 794999945 UNTBSHSKTDODRG-VHSXEESVSA-N 254.786 3.657 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1cccc(C(F)(F)F)c1 797800830 PFSODYPCBDNNPM-UHFFFAOYSA-N 295.216 3.698 30 20 CHED C#CC[C@H](NCCCCC1CCOCC1)c1ccccc1 799153730 FJJDVSBZILWUNL-IBGZPJMESA-N 285.431 3.938 30 20 CHED C/C=C/C=C/C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799440062 TUQPCHQYDYZNMD-MQQKCMAXSA-N 296.248 3.528 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1ccc(F)cc1F 799440557 KLRDEOWZZDVMLC-UHFFFAOYSA-N 287.265 3.618 30 20 CHED CCCCCCCCCOC(=O)c1coc(C)n1 801395229 WDXWEHAQOCXXKC-UHFFFAOYSA-N 253.342 3.890 30 20 CHED CCCCCCCCC(=O)N(CC1CCOCC1)OC 801598151 VUSUFKGHLRPXQM-UHFFFAOYSA-N 285.428 3.554 30 20 CHED CCC(CC)[C@H](NCCO[C@H](C)C#N)c1ccccc1 801937149 FPFVKCFNJGORJU-PBHICJAKSA-N 274.408 3.682 30 20 CHED Cc1cc(CSCCO[C@@H](C)C#N)c2ccccc2n1 802752488 QVYKQLZPORBGEL-ZDUSSCGKSA-N 286.400 3.705 30 20 CHED C[C@@H](N=c1cc[nH]c(C#N)c1)c1csc2ccccc12 804438650 QUFIVASDJCQUQD-LLVKDONJSA-N 279.368 3.763 30 20 CHED COc1cccc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)c1 806564555 BFCSKTQOVFUAFT-HJWRWDBZSA-N 296.370 3.679 30 20 CHED CC(C)(C)c1ncc(/C=C\C(=O)c2cccc(F)c2)cn1 806565502 OZTKVEKGEBTZHN-FPLPWBNLSA-N 284.334 3.809 30 20 CHED C#Cc1ccc(CNCC2(CCOC)CCCCC2)cc1 809642288 DGOJRXGXFGDRJY-UHFFFAOYSA-N 285.431 3.745 30 20 CHED O=C(/C=C/c1cc(O)cc(C(F)(F)F)c1)c1cccnc1 811685105 JMNDIBPPGBNWEN-ONEGZZNKSA-N 293.244 3.702 30 20 CHED C#C[C@H](NC(=O)NCC1(CC)CC1)c1ccc(Cl)cc1 811889029 NKENBAYDINIZIK-AWEZNQCLSA-N 290.794 3.504 30 20 CHED C#CCN(C)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 812040048 MRBSFTWKTUEEGK-INIZCTEOSA-N 298.386 3.713 30 20 CHED C#CCC1(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)CCCCC1 814134704 BLCGXXHZNZNDFJ-INIZCTEOSA-N 287.447 3.997 30 20 CHED CC[C@@H](C)NN=C/C(C)=C/c1ccccc1COC 814227310 GBEFKKSGHAQILL-TTWJUNSGSA-N 260.381 3.610 30 20 CHED CO[C@](C)(C=NNc1ccccc1C(F)(F)F)C1CC1 814688743 KTUPHAIJFJSROT-CYBMUJFWSA-N 286.297 3.918 30 20 CHED C=CCC(F)(F)C(=O)NCc1ccc(C(F)(F)F)cc1 814836204 LBPPHPGFRVGMTA-UHFFFAOYSA-N 293.235 3.533 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1OCC(C)C 815068408 OQQPWNAUPDGWBA-UHFFFAOYSA-N 283.318 3.871 30 20 CHED Cc1cc(C)c([C@@H](C)NCc2ccc(C#N)cc2)c(O)c1 815560692 NDRCCDIDBYABHD-CQSZACIVSA-N 280.371 3.732 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1CC[C@@H](C2CCCC2)C1 817471441 XIDYMENEKBAJKQ-QZEKMECESA-N 294.398 3.610 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(C(C)C)cc1)C(C)C 821507714 FYIWOSMWDFWHJB-HNNXBMFYSA-N 258.365 3.589 30 20 CHED C=CCC1(C(=O)NCCNc2ccccc2)CCCCC1 825926721 IJTMLIISALLWAU-UHFFFAOYSA-N 286.419 3.741 30 20 CHED C#Cc1cnc(N2CC[C@@H](C)C[C@@H]2c2ccc(CC)o2)nc1 827702732 WBOPYIHIKPDQNV-CZUORRHYSA-N 295.386 3.591 30 20 CHED C[C@@]1(COc2ccc(C#N)cc2)CC1(Cl)Cl 828492103 FSYOANWKJXLLNW-NSHDSACASA-N 256.132 3.521 30 20 CHED C#CCCCc1nc(-c2cccc(C(C)(F)F)c2)no1 834886778 BUYGUVGINGATKH-UHFFFAOYSA-N 276.286 3.804 30 20 CHED COCC1CCC(=NNCc2cnc3ccccc3c2)CC1 834963679 NLIIFMAHXJWMOY-UHFFFAOYSA-N 297.402 3.517 30 20 CHED CC(CCCc1cccnc1)=NNc1cc(C)ccn1 834964927 RSXBSQSANTXZDV-UHFFFAOYSA-N 268.364 3.596 30 20 CHED CCn1cc(C=NN[C@@H](C)C(F)(F)F)c2ccccc21 834996900 XHPBNJLOXSRMIZ-JTQLQIEISA-N 283.297 3.536 30 20 CHED CC(C)ON=C[C@H](C)c1cccc(Br)c1 835000419 NGXBNMYPNZEGIR-JTQLQIEISA-N 270.170 3.963 30 20 CHED C[C@H](OC(=O)[C@]1(C)CC=CCC1)c1cccc(C#N)c1 835130341 GFJKLNPTOMGKMM-SUMWQHHRSA-N 269.344 3.909 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)[nH]c1C)c1cccc(OC)c1 835178886 PRUWOQLJERWZRQ-MRXNPFEDSA-N 298.342 3.512 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)OCC(C)(C)CCC#N 835386610 LWRRMHNUOHHHBS-OLZOCXBDSA-N 251.370 3.686 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C23CC4CC(CC(C4)C2)C3)C1 839060145 ZCKFGMDGELMYID-LIFKJRKOSA-N 287.403 3.828 30 20 CHED Cc1ccc(NN=Cc2cn[nH]c2-c2ccc(C)o2)cc1 839383701 NLWHSDUTXJDXOY-UHFFFAOYSA-N 280.331 3.733 30 20 CHED CC[C@@H]1OCC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1O 840710616 KWKMOQLPAVBSEH-XFQLZSBUSA-N 288.174 3.685 30 20 CHED C[C@@H]1CC(C)(C)CN1Cc1ccc(N(C)CCC#N)cc1 840969782 LAIJLQYELISDPV-OAHLLOKOSA-N 285.435 3.657 30 20 CHED CC1(C)CC(=NNc2nc(-c3ccccc3)cs2)CO1 841615437 YGDIFXLCGZBAKC-UHFFFAOYSA-N 287.388 3.777 30 20 CHED C[C@H](O)CN(C)N=C1CCC[C@H](c2cccc(Cl)c2)C1 841648467 KJZCHAUWWYVHSU-JSGCOSHPSA-N 294.826 3.666 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)[C@@H]1CCSc2ccccc21 842333862 NJSLQKQNCIGMBS-TZMCWYRMSA-N 289.400 3.747 30 20 CHED C=C(CC)COC(=O)Cc1c(C)nc([C@H](C)CC)nc1C 847721445 HSSDAKKNFJETRR-GFCCVEGCSA-N 290.407 3.659 30 20 CHED CC[C@H]1CCCC(=NNc2ncc(Br)cn2)C1 848421575 YSLCDIHYPCCDSN-VIFPVBQESA-N 297.200 3.607 30 20 CHED CCOc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)cc1 849243247 RPHAKDBSTBKREH-ZHACJKMWSA-N 296.370 3.592 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)[C@H](O)CCCC3)s1 850362492 JXAHCMVWEUMOCB-QGZVFWFLSA-N 298.411 3.992 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)CCc1c(C)noc1C 851142417 QGPASUXKRCDMLG-GOEBONIOSA-N 291.391 3.902 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)nc1 851204098 JLLQXZUOCXGIJF-LBPRGKRZSA-N 274.364 3.690 30 20 CHED C=C[C@@H](OC(=O)C=C1CCSCC1)c1ccccc1 851452486 TUKMQSRJXINDCB-OAHLLOKOSA-N 274.385 3.910 30 20 CHED C#C[C@@](C)(CC)N[C@H](C)c1ncc(-c2ccccc2)o1 852101688 GSZSSURZWINBJY-DYVFJYSZSA-N 268.360 3.794 30 20 CHED CC(=NNCCC(C)(C)C)c1ccc(C(F)F)nc1 853332535 JUUFDMJUIMOPDG-UHFFFAOYSA-N 269.339 3.769 30 20 CHED COc1ccc(C=NN2CCCC[C@H]2C)cc1Cl 853380139 OFFSWRPGEMLYQG-LLVKDONJSA-N 266.772 3.557 30 20 CHED C=CCCCCCCNC(=O)c1conc1C(F)(F)F 854451684 FIEIUYJGAUXHTM-UHFFFAOYSA-N 290.285 3.560 30 20 CHED C#C[C@@H](Cc1ccccc1)OC(=O)C[C@@H](C)c1ccco1 860619545 YBJNKBLLTFNDJR-ZBFHGGJFSA-N 282.339 3.561 30 20 CHED CCCCCN(C(=O)Nc1cc(CC#N)ccn1)C(C)C 871719956 PLYZDJKNDZIJDL-UHFFFAOYSA-N 288.395 3.580 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1nc2ccccc2s1 875093907 WDKSYUYGMQLHEL-UHFFFAOYSA-N 287.388 3.589 30 20 CHED C=C/C=C/CCNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 883912748 AMOMJYOXOOPZMF-AATRIKPKSA-N 297.402 3.611 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc2c(c1)CCCN2 884028717 PNMXVFYTDAUENN-UHFFFAOYSA-N 258.365 3.586 30 20 CHED C=CCC1(O)CCN([C@H](CC)c2ccccc2)CC1 886764621 XFWYEPSKWJIVLB-MRXNPFEDSA-N 259.393 3.541 30 20 CHED C=CC(C)(C)CC(=O)O[C@H](C)c1ccc(Cl)cn1 890095217 PAPKVDTYAZFWBA-SNVBAGLBSA-N 267.756 3.942 30 20 CHED C=CCCCCCN(C)c1cc(C(F)F)ncn1 892637314 MESQDSSZBBCQQM-UHFFFAOYSA-N 255.312 3.597 30 20 CHED C=C1CN(C(=O)c2cc(SC)c(Cl)cc2Cl)C1 898698164 FTEHNUSKOJMPOQ-UHFFFAOYSA-N 288.199 3.727 30 20 CHED Fc1ccc(F)c(NN=C2CCc3cccnc3CC2)c1 901319749 FBRFGPYKZRVTEL-UHFFFAOYSA-N 287.313 3.707 30 20 CHED CCNc1ccc(C#N)cc1NCc1coc(C(C)(C)C)n1 901393476 ZGLVARPGAXBVTB-UHFFFAOYSA-N 298.390 3.888 30 20 CHED CC(C)n1cncc1/C=C1/C(=O)c2ccccc2[C@@H]1C 901506411 LWVVPRMVXQBKPK-WIJRQFRKSA-N 266.344 3.847 30 20 CHED N#CC1(CCCCOc2ccc(C=O)cc2F)CCC1 901526763 DZEUYCIAHXXJMF-UHFFFAOYSA-N 275.323 3.881 30 20 CHED C#CC[C@@H](N[C@@H](C)CC(C)(C)CC(=O)O)c1ccccc1 902241996 VEVSSKZDRXLWTE-GOEBONIOSA-N 287.403 3.620 30 20 CHED C=CCCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 902976642 SXMATOUIVYTYTD-JTQLQIEISA-N 258.287 3.717 30 20 CHED C=CCCC[C@H](N)c1nc(Cc2cc(C)cc(C)c2)no1 904548338 IOADLOCBWGKITO-HNNXBMFYSA-N 285.391 3.633 30 20 CHED C=C(C)c1ncc(-c2ccc(C3(O)CCC3)cc2)cn1 906182072 KKZNEEOSWKHTKM-UHFFFAOYSA-N 266.344 3.548 30 20 CHED C[C@@H]1CCCCC1=NNc1nc2cc(F)c(F)cc2[nH]1 912825202 LCCSZWJBJOWFDD-MRVPVSSYSA-N 278.306 3.819 30 20 CHED Cc1ccc(NN=Cc2c(C(C)C)nn(C)c2Cl)cc1 915936429 WTKCLESWJDNQAG-UHFFFAOYSA-N 290.798 3.951 30 20 CHED COC(=O)c1ccc(C=NNc2c(C)cc(C)cc2C)cc1 916339904 YNWFOYVEBSEJNW-UHFFFAOYSA-N 296.370 3.844 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2C)cc1 916346191 XNAHWCFHRPGJMU-UHFFFAOYSA-N 254.333 3.758 30 20 CHED C=CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C 916707846 XLKOWHVIMIUEOK-UHFFFAOYSA-N 297.742 3.677 30 20 CHED CCCCCCCOC(=O)C1(C#N)CCCCC1 920116965 UYMFRLGCUGGNJW-UHFFFAOYSA-N 251.370 3.974 30 20 CHED C(/C=C\c1ccco1)=NNCc1cccc2cccnc12 920373987 OQJMVJLQMRIBDM-ROWCWEJQSA-N 277.327 3.617 30 20 CHED CCON=C(CC)c1ccc(OCC)c(OCC)c1 920828251 YWXUMXNIASUPDO-UHFFFAOYSA-N 265.353 3.635 30 20 CHED O=[N+]([O-])c1cccc(N=Cc2cc(Cl)ccc2O)c1 920943499 LWSQMHHRODSMHA-UHFFFAOYSA-N 276.679 3.704 30 20 CHED CC(C)c1ccc2cc(C(=O)N(C)C3(C#N)CCC3)[nH]c2c1 921167243 WWLVGVCEISNSRO-UHFFFAOYSA-N 295.386 3.810 30 20 CHED CC(C)(C#N)CCCOC(=O)c1nsc2ccccc12 923026545 AVQMENUARRSNAC-UHFFFAOYSA-N 288.372 3.783 30 20 CHED Cc1csc(CCCCN[C@@H](C)CC(C)(C)C#N)n1 924921120 VJCDWCUBCQGOGO-LBPRGKRZSA-N 279.453 3.692 30 20 CHED C#CC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 925636941 FYAIQCCYZPIDIV-ZBFHGGJFSA-N 254.377 3.669 30 20 CHED Cc1ccc(C(C)(C)CN[C@@H](C)CC(C)(C)C#N)nc1 926751716 AREODCRRSOIQQJ-AWEZNQCLSA-N 273.424 3.586 30 20 CHED CC[C@H](N[C@@H](c1cnn(C)c1)C(C)C)c1ccc(C#N)cc1 927071746 UKLWWDAYMLPOQX-ZWKOTPCHSA-N 296.418 3.730 30 20 CHED C=CCC[C@H](NCc1cc(C2CC2)n(C)n1)c1ccco1 927108786 QRAYVYSMIOJRMG-HNNXBMFYSA-N 285.391 3.688 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCc2cc(OC)ccc2C1 931888179 BXALVRSPCOYATC-CQSZACIVSA-N 287.403 3.572 30 20 CHED N#C[C@H]1CCCN(CCCSCc2ccccc2)C1 932152619 KPKNGJPNBBDTAH-MRXNPFEDSA-N 274.433 3.545 30 20 CHED N#C[C@H]1CCCN([C@H]2CCc3cc(Cl)ccc32)C1 932155212 ZFTDUQLKZZJXDI-ABAIWWIYSA-N 260.768 3.563 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccsc2C(F)F)C1 933014367 PNDJMZURSRKLLM-YMTOWFKASA-N 298.358 3.888 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cccc(-c2ncco2)c1 935071368 OGEOOUOLYHYNAI-GFCCVEGCSA-N 270.332 3.882 30 20 CHED COc1cccc(NN=Cc2ccc3c(c2)CCC3)c1 1116155737 GWOJUNZEPVKREU-UHFFFAOYSA-N 266.344 3.630 30 20 CHED CS[C@H]1CCC[C@H](Nc2ccc(OCC#N)cc2)C1 1119629384 PVVXRHBBZPOWBL-ZFWWWQNUSA-N 276.405 3.675 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C1CCC2(CC1)CC2 1120733230 JFSSVGOPLSRKCG-OAHLLOKOSA-N 261.409 3.914 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](c1ccccn1)C1CC1 1123713767 GXYHSLXDPGJFTB-WBVHZDCISA-N 299.418 3.673 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NCC2C(C)(C)C2(C)C)cc1 1128485265 WOJUGXXRHFBNFE-UHFFFAOYSA-N 298.430 3.900 30 20 CHED Cc1cc(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)ncc1C#N 1186294082 BVCUFKBHCVLIPJ-LSDHHAIUSA-N 283.762 3.883 30 20 CHED CC[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1C 1214367740 GNNOLRVRLDRYOD-MNOVXSKESA-N 291.782 3.864 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnc2c(F)cccc2c1 1262809835 QQABZZQAPASQCQ-HNNXBMFYSA-N 298.361 3.945 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)c2ccc(Cl)c(C#N)c2)C1 1264203994 OYGRBTMVQSXJHM-MFKMUULPSA-N 277.751 3.947 30 20 CHED Cc1cc(C)c(C(=O)Nc2cccc(OCC#N)c2)s1 1264603178 ZTNZUULTIZTNFT-UHFFFAOYSA-N 286.356 3.520 30 20 CHED C[C@@H]1C[C@H](CC(=O)N2CCC[C@H](C#N)C2)CC(C)(C)C1 1303427967 DEPLNAWBKDZWSH-RBSFLKMASA-N 276.424 3.601 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccc3c(c2)CCC3)c1 1319099841 PZXCXXGSZZVACH-UHFFFAOYSA-N 286.325 3.577 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1320417939 AMZMHFXVVOQLBO-GHMZBOCLSA-N 299.773 3.638 30 20 CHED Cc1c(C#N)cccc1C(=O)OCCCCC(F)(F)F 1321237783 RYYYZEHVFOQJEK-UHFFFAOYSA-N 285.265 3.756 30 20 CHED CC(C)CC(C)(C)c1nnc(-c2ccc(C#N)cc2)o1 1322502202 IFQSDYZVVZJBDR-UHFFFAOYSA-N 269.348 3.932 30 20 CHED C[C@H](c1ccsc1)c1nnc(-c2ccc(C#N)cc2)o1 1322511122 XSGQAQWYRJUWIL-SNVBAGLBSA-N 281.340 3.822 30 20 CHED CCc1ccccc1NC(=O)CC#Cc1ccccc1 1322547152 SSJDRBUFZOAMIU-UHFFFAOYSA-N 263.340 3.629 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1322569782 GOWCFCFPQISVEO-KKUMJFAQSA-N 264.413 3.563 30 20 CHED CC[C@@H](NCc1cccc(OCC#N)c1)c1ccccc1F 1323557537 ZXZYLBYYIBYODP-GOSISDBHSA-N 298.361 3.969 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc3c(c2)CCC3)cc1O 1323948254 HPMGLDMJKXFNOF-TWGQIWQCSA-N 294.350 3.786 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cc2ccccc2[nH]1 1324383193 RRZBZLAPNAFHHT-KRWDZBQOSA-N 270.376 3.729 30 20 CHED CC(C)=CCC[C@H](C)NCCC(=O)Nc1cccc(C#N)c1 1326161303 WAFBTOFMIWXLIW-HNNXBMFYSA-N 299.418 3.611 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 1326313204 BYGHFQGASBARLX-CQSZACIVSA-N 289.423 3.560 30 20 CHED C/C=C(/C=C\c1nnc(COc2ccccc2C#N)o1)CC 1331852251 IBDPTNBTENIWOO-VWBNHAHASA-N 295.342 3.890 30 20 CHED CC(C)c1cnc(COC(=O)c2csc(C#N)c2)s1 1344599076 GIAQKPOSYWQWJV-UHFFFAOYSA-N 292.385 3.557 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](CC)c1ccncc1 1346218154 JAVSNINANSRDKD-JKSUJKDBSA-N 287.407 3.673 30 20 CHED C=CC[C@H]1CCCC[C@@H]1Nc1cnn(Cc2cccnc2)c1 1346858401 HJIMLHSKPIVDHS-WMZOPIPTSA-N 296.418 3.873 30 20 CHED CCN(Cc1cc(Cl)ccc1OCC#N)C(C)(C)C 1347850326 KBFPEMGPRVYFMQ-UHFFFAOYSA-N 280.799 3.863 30 20 CHED C=C(C)CCC(=O)O[C@H](C)c1noc(-c2ccccc2)n1 1348140728 XSXOIHJGZGASMB-GFCCVEGCSA-N 286.331 3.697 30 20 CHED Cc1cc(C(=O)O[C@@H](CC#N)c2ccco2)c(C)s1 1350311608 MVAKANMCHDZGLW-ZDUSSCGKSA-N 275.329 3.770 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)c2cc(C#N)ccc2F)c1 1435258485 WDKRGVNDVINZHR-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)c1ccc(F)c(C)c1 1439107447 YIIXHJRRFMFCHT-UHFFFAOYSA-N 296.345 3.867 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C#N)ccc1C 1456712169 JQFHHNNXSCGOKS-SUMWQHHRSA-N 284.403 3.908 30 20 CHED Cc1cccc2oc(C(=O)N(C)c3ccc(C#N)cc3)cc12 1456729186 NOMVODOQKHENQH-UHFFFAOYSA-N 290.322 3.890 30 20 CHED COc1cc(CNCC2(CC(C)C)CCC2)ccc1C#N 1474070209 ZQZMPRXPQCCYKQ-UHFFFAOYSA-N 286.419 3.873 30 20 CHED N#Cc1ccsc1NC(=O)c1cnc2c(F)cccc2c1 1521436007 NEMSLKKPRZBCOS-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Cc1cc(C)cc(C(=O)O[C@H](CC#N)c2ccco2)c1 1526994057 YWFBKZJDQUDMTO-OAHLLOKOSA-N 269.300 3.708 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1cccc(C#N)c1C 1527910709 MSORNHDYUMGSIX-ZDUSSCGKSA-N 295.338 3.793 30 20 CHED Cc1ccc(CCOC(=O)c2cccc(C#N)c2C)cc1 1530361260 SOQWCBJFAYVYIC-UHFFFAOYSA-N 279.339 3.575 30 20 CHED C=C[C@@H](Nc1ccc(Oc2ccccc2)cc1OC)C(=O)O 1588702235 NTDAGDRNBURXGZ-CQSZACIVSA-N 299.326 3.539 30 20 CHED CCCCCCC[C@H](C)CNc1ncc(C(=O)O)cn1 1595705304 VHJTWMLIVQVUOW-LBPRGKRZSA-N 279.384 3.583 30 20 CHED N#Cc1c(F)cccc1N1Cc2ccccc2C(F)(F)C1 1642464451 KGTJFBZQSWUIDJ-UHFFFAOYSA-N 288.272 3.809 30 20 CHED C=C(Cl)CNCc1cn(-c2ccccc2Cl)nc1C 1650316971 XZMGQSKPCMIVAQ-UHFFFAOYSA-N 296.201 3.676 30 20 CHED CC(C)CN(CCC#N)CC[C@H]1CCc2ccccc21 1652546953 RXBJRKVRBVOXCM-QGZVFWFLSA-N 270.420 3.978 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)CC#N)CC1 1681627066 ZEDYLBVVCUWOMF-CABCVRRESA-N 293.455 3.830 30 20 CHED C=C(C)CCNc1nc2ccccc2c(C)c1C(=O)O 1776139579 GAGOXGJNKJIATN-UHFFFAOYSA-N 270.332 3.620 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(CC(=O)O)cc1 1777477160 BKOQXEQYJIRNHZ-VOTSOKGWSA-N 286.352 3.580 30 20 CHED C=CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 175875370 GKWXUVOFKAWHPS-DOTOQJQBSA-N 271.404 3.995 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(-n2nc(C)cc2C)c1 117001613 YWDLFTRECFTQKG-LBPRGKRZSA-N 298.390 3.575 30 20 CHED CCCC(C#N)(CCC)NC(=O)Cc1ccc(Cl)cc1 106421605 XCOSQEXCIJGXOR-UHFFFAOYSA-N 292.810 3.861 30 20 CHED CC[C@H](C)c1ccccc1OC(=O)c1ccc(C#N)cn1 107430529 YNSGKRRHAOEAIA-LBPRGKRZSA-N 280.327 3.686 30 20 CHED Cc1ccc(C[S@](=O)CCCC(C)(C)C#N)cc1 177969324 UQOKYQJMAXHRPA-GOSISDBHSA-N 263.406 3.574 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N(CCC#N)CC1CC1 116191467 ZQXBBYZSTZIUSO-HNNXBMFYSA-N 284.403 3.641 30 20 CHED Cc1nc(N2C[C@H]3CCCC[C@H]3C2)c(Cl)cc1C#N 312041085 RJVBNROYGNDZQO-TXEJJXNPSA-N 275.783 3.542 30 20 CHED N#Cc1ccccc1CN1CCCC2(CCCC2)C1 346967472 DWZHIOGUCXVNTL-UHFFFAOYSA-N 254.377 3.714 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1C(=O)OCC 112010716 CZPFVWGVKOFZMT-HNNXBMFYSA-N 297.439 3.681 30 20 CHED C=C(C)CN1CCC(NCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 106245752 QYWFYFALBQSUQX-WMLDXEAASA-N 288.435 3.533 30 20 CHED CCCCCCCCN[C@H](C)c1cnn(C)c1C 59261240 XEFXVTOXJQQVLG-CYBMUJFWSA-N 251.418 3.740 30 20 CHED Cc1cc(C#N)ccc1CN1CCS[C@H]2CCCC[C@H]21 249113654 CSXPQWWUVNVPDY-SJORKVTESA-N 286.444 3.727 30 20 CHED Cc1ccc(NC(=O)CNc2cc(C#N)ccc2C)c(C)c1 63890003 VWMYBHIPHJNBOI-UHFFFAOYSA-N 293.370 3.534 30 20 CHED C=CCCCC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 176555852 AWHMVBHTJJOHQT-ZDUSSCGKSA-N 297.383 3.738 30 20 CHED C/C(=C\C(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 178623571 ACXKQKZZUNUPHP-CJTWTEFWSA-N 268.360 3.504 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)CC2CCCC2)c1 303568961 OMFDNFJWRIRUPL-ZDUSSCGKSA-N 255.361 3.823 30 20 CHED C[C@H]1CN(CCCC(C)(C)C#N)[C@H](c2ccccc2)CO1 174882213 ODJUFPIJSGRQOB-RDJZCZTQSA-N 286.419 3.778 30 20 CHED C[C@H](NC(=O)CCc1ccccc1F)c1ccc(C#N)cc1 26117360 PWXNHJRAGYCPNN-ZDUSSCGKSA-N 296.345 3.507 30 20 CHED C=C(C)CCOC(=O)CCc1c[nH]c2ccccc12 174798602 SSVWKFXHPNNTEI-UHFFFAOYSA-N 257.333 3.610 30 20 CHED N#Cc1ccc(F)c(CNc2nc3cc(F)ccc3o2)c1 172777564 PYSCKAQIRJEKFD-UHFFFAOYSA-N 285.253 3.590 30 20 CHED CCCCCC[C@H](C)CC(=O)N1CCC(C#N)CC1 67915760 LBKJGDYOTFNBRS-AWEZNQCLSA-N 264.413 3.745 30 20 CHED N/C(=N/CCCc1ccccc1)Nc1ccc2c(c1)CCC2 303709622 NWIGTVGXIKKNGN-UHFFFAOYSA-N 293.414 3.535 30 20 CHED Cc1ccc(CCN(CCC#N)Cc2ccco2)cc1 174042984 JADFOICQDRQEJT-UHFFFAOYSA-N 268.360 3.546 30 20 CHED C[C@@H](NC/C=C/c1ccccc1)c1cccc(C#N)c1 174431657 YWNCCHLHWULXPH-WCLQSUPFSA-N 262.356 3.922 30 20 CHED CCN(Cc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 301753294 JIWMHEHQURUREJ-UHFFFAOYSA-N 296.370 3.602 30 20 CHED Cc1ccc(N/C(N)=N\C[C@H](C)Sc2ccccc2)cc1 304808613 UTKZBSARSNDASN-AWEZNQCLSA-N 299.443 3.902 30 20 CHED COc1ccc(C#N)cc1NCc1ccc(SC)cc1 354866336 JEOMJXLLWBQPID-UHFFFAOYSA-N 284.384 3.901 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)c1cc2ccccc2o1 176094087 FSTRGJLPJCHKJY-STQMWFEESA-N 284.359 3.544 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccc2ccccc2n1 178386107 HEIAIJGVWZIFAU-UHFFFAOYSA-N 287.322 3.667 30 20 CHED Cc1cc(C[S@@](=O)Cc2ccc(C#N)cc2)c(C)s1 178018462 YYIFEHIBTYTTTF-IBGZPJMESA-N 289.425 3.686 30 20 CHED C=CCCOCCNCc1ccc(-c2ccccc2)o1 120872802 FETJLSIGIRGNRR-UHFFFAOYSA-N 271.360 3.629 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(C)cc2)s1 126755317 BLKIYDBRQSIXDF-UHFFFAOYSA-N 270.357 3.743 30 20 CHED C[C@H](C#N)CNCc1ccc(-c2ccccc2F)s1 183838694 QLQKUIIVMFSECQ-LLVKDONJSA-N 274.364 3.803 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCC)cc1 37705798 IEMIXTWUJLNMDS-LBPRGKRZSA-N 253.773 3.879 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc(C2CC2)nc2ccccc12 183920199 ZXWQTCDCVDKDPJ-ZDUSSCGKSA-N 293.370 3.534 30 20 CHED Cc1cc(CN(C)c2ccccc2F)ccc1C#N 488189175 BREAIRKABBHWLC-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C#CCCCCC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 187777392 GRNVJLUOSQGEPG-ROUUACIJSA-N 283.415 3.708 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1ccc(CC(C)C)cc1 120803892 JHNZSFOAUASWDN-MDZDMXLPSA-N 282.387 3.823 30 20 CHED CC(C)Oc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 213189244 HMNWKTZTXJYLEB-RQZCQDPDSA-N 296.322 3.796 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2ccccc2Cl)o1 127723735 CQBWQVJQXXYLPS-MRVPVSSYSA-N 279.752 3.784 30 20 CHED C=C[C@@H](CC(=O)N(CCC)CC(F)F)c1ccccc1 122628644 YEUQLFOJAXDNRC-ZDUSSCGKSA-N 281.346 3.850 30 20 CHED CCN(CC#N)Cc1cccc(OCc2ccccc2)c1 121075290 XNLWCEDRYIMMES-UHFFFAOYSA-N 280.371 3.611 30 20 CHED C=CC[C@H]1CCCN(Cc2ncccc2Cl)C1 528545192 DGSVEZZAFSNIEJ-LBPRGKRZSA-N 250.773 3.523 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C#N)cc1 127814910 RVRHWTGDTPGNKG-IUODEOHRSA-N 271.364 3.601 30 20 CHED C[C@H](NCC#Cc1ccc(F)cc1)c1cccc(F)c1F 181961847 YNBXZSYJLRJUMW-LBPRGKRZSA-N 289.300 3.806 30 20 CHED C=C[C@@H](CC(=O)O[C@H]1CCc2cccnc21)c1ccccc1 189407238 ZLKUURUTWXLRJA-YOEHRIQHSA-N 293.366 3.972 30 20 CHED C=CC[C@H](CC)NC(=O)COc1cccc2ccccc12 410138342 REXUSIIEAYDAGE-HNNXBMFYSA-N 283.371 3.690 30 20 CHED CC#CCCN1CCCC[C@@H]1c1nc2ccccc2o1 373421799 JKPJXTFGUPFNBZ-OAHLLOKOSA-N 268.360 3.768 30 20 CHED Cc1ccccc1[C@@H](CC(C)C)NC(=O)NC[C@@H](C)C#N 182659336 MWQPTBNZIDPQLV-XJKSGUPXSA-N 287.407 3.541 30 20 CHED COc1ccc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)cc1 127358380 PSPDFWMYGNEZGJ-YFHOEESVSA-N 284.359 3.612 30 20 CHED N#Cc1ccc(C[S@@](=O)CCCCc2ccccc2)cc1 187104299 JIVKQJOWRHUACA-NRFANRHFSA-N 297.423 3.830 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](CC)c1ccccc1OCC 185601564 IEYRGVIKOBNKHR-OAHLLOKOSA-N 287.403 3.702 30 20 CHED C=CC1CCN(Cc2cnc3ccccc3c2)CC1 337189756 RHPGYWRPYLGGBP-UHFFFAOYSA-N 252.361 3.633 30 20 CHED C=CCC1(c2nc([C@H](N)CC(C)C)no2)CCCC1 414612544 DCLYRSJADRPSNB-GFCCVEGCSA-N 263.385 3.503 30 20 CHED CC[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 74918501 OYRAQIZDYNUYNK-CABCVRRESA-N 299.418 3.841 30 20 CHED N#Cc1ccc(CNCCCCCc2ccc(F)cc2)o1 189556413 NOFNSTHVYFFONS-UHFFFAOYSA-N 286.350 3.793 30 20 CHED C=CC[C@H](C(=O)N1CCCC[C@H]1C)c1ccccc1 186040883 COGHRZVZMUOTSF-ZBFHGGJFSA-N 257.377 3.747 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N[C@](C)(C#N)CCc1ccccc1 181068779 NSWVREAORLKGFU-DAYGRLMNSA-N 286.419 3.700 30 20 CHED C#Cc1cccc(N(C(=O)C2CCCC2)C(C)C)c1 77293882 ZSDODTIAOIVNHH-UHFFFAOYSA-N 255.361 3.600 30 20 CHED CC(C)(C(=O)Nc1ccc(CC#N)cc1Cl)C(F)F 411021572 WYJKEFGCLVYUKD-UHFFFAOYSA-N 286.709 3.636 30 20 CHED C[C@H](CC(F)F)C(=O)Nc1ccc(C(C)(C)C#N)cc1 411356584 LLEQJIDQGSHQHX-SNVBAGLBSA-N 280.318 3.718 30 20 CHED CC(C)CCN(C)Cc1ccc(N(C)CCC#N)cc1 130720772 JOKGELSIVOYHOM-UHFFFAOYSA-N 273.424 3.514 30 20 CHED N#CC1(CC[S@](=O)c2ccc(Cl)cn2)CCCCC1 414250415 XSNGHDPNUKQRDP-IBGZPJMESA-N 296.823 3.707 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCc2ccccc2OC1 509501202 PKOOSHXWNLDVNW-ZDUSSCGKSA-N 282.318 3.503 30 20 CHED N#C[C@H](C(=O)CC1CCCCC1)c1nc2ccccc2[nH]1 46706234 YZYQMGYWGPOMBH-CYBMUJFWSA-N 281.359 3.710 30 20 CHED CSC[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 135436417 XNUVMGATDAMKGO-HNNXBMFYSA-N 279.836 3.519 30 20 CHED C=C(C)CN(CC)C(=O)Nc1c(OC)cccc1SC 417665909 BGQXQWLIJLUJTB-UHFFFAOYSA-N 294.420 3.847 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C[C@@H]2CCCC2(C)C)C1 329319534 GBYANZKKOVWQNC-SRVKXCTJSA-N 266.385 3.524 30 20 CHED C=C[C@H](CC(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 136092060 HBBQGZGGIVFWFY-HIFRSBDPSA-N 296.395 3.988 30 20 CHED N#CCCN(CCc1ccccc1Cl)Cc1ccco1 81517738 YCQIREWZDOUWDS-UHFFFAOYSA-N 288.778 3.891 30 20 CHED Cc1cc(/C(O)=N/[C@H](C)C2CCCC2)c2n[nH]cc2c1 328962986 QWBJCKIKJQKFDW-LLVKDONJSA-N 271.364 3.755 30 20 CHED CC[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 40360157 IVFYLADLOPFFMX-IRXDYDNUSA-N 284.403 3.769 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)cc1 429234194 OKJSKWMCTWUGPW-HIFRSBDPSA-N 273.376 3.512 30 20 CHED C[C@H](Nc1ccc(C#N)c(Br)c1)C1CCC1 228196315 SNRISDJFXLAFKL-VIFPVBQESA-N 279.181 3.921 30 20 CHED N#Cc1cccc(CN2CCC[C@H](CC(F)(F)F)C2)c1 420950120 PONBCKPGKRHDTM-CQSZACIVSA-N 282.309 3.723 30 20 CHED Cc1cc(N(C)[C@H](C)c2cccc(C#N)c2)nc(C2CC2)n1 425285191 RNKPNTYQRZFOIN-CYBMUJFWSA-N 292.386 3.732 30 20 CHED C=CCC(CC=C)C(=O)N(C)C1CC(OC(C)(C)C)C1 421691743 CWZHOFXGABEOFB-UHFFFAOYSA-N 279.424 3.559 30 20 CHED CC#CCCNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 425746033 SXGNXTUIPCNVMZ-INIZCTEOSA-N 284.403 3.583 30 20 CHED C=CCC1(C(=O)NCc2cccc(CSC)c2)CCC1 190766322 BKXUVFOLOOGOKM-UHFFFAOYSA-N 289.444 3.912 30 20 CHED Cc1ccc(C)c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 41545787 QXPXPBPOZBWNFP-CQSZACIVSA-N 290.322 3.935 30 20 CHED N#Cc1csc(C(=O)N2CCC[C@H]2c2ccsc2)c1 84083354 OCBOSYMDMKCSFK-LBPRGKRZSA-N 288.397 3.659 30 20 CHED Cc1cc(C)c(C)c(OC(=O)c2ccccc2OCC#N)c1 194127931 WJDCHBITWIDGNM-UHFFFAOYSA-N 295.338 3.733 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2ccc(CC#N)cc2)c1 334352072 GTYNQAKAWJHHFU-UHFFFAOYSA-N 284.746 3.967 30 20 CHED CC(C)[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 84072380 CSVSNVBEPKFBGA-OAHLLOKOSA-N 284.384 3.747 30 20 CHED CCC(C)(C)CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425514752 RCCSZDMEQMXELT-ZDUSSCGKSA-N 287.407 3.697 30 20 CHED COCC[C@@H]1CCC[C@H]1N[C@H](CCC#N)c1ccccc1 337464325 LJXIFCDHFDGAAK-RCCFBDPRSA-N 286.419 3.826 30 20 CHED C#CCCCC(=O)N[C@H](CCC=C)c1ccccc1 190450196 RDJBEZSLVPQLFZ-MRXNPFEDSA-N 255.361 3.614 30 20 CHED C=CC(C)(C)CNC(=O)CCc1cccc(OC(F)F)c1 424877350 RPNZTYLUYQRYGN-UHFFFAOYSA-N 297.345 3.549 30 20 CHED CCc1occc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425117962 XOSLBUIKICXPAW-GFCCVEGCSA-N 282.343 3.547 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(C(F)F)c2)s1 335204207 PGSHRUGRGGQWQA-UHFFFAOYSA-N 278.283 3.810 30 20 CHED COc1ccccc1[C@H]1CCN(Cc2cc(C#N)cs2)C1 93593753 OXSKZJSGWWJFGA-AWEZNQCLSA-N 298.411 3.618 30 20 CHED C[C@]1(CNc2ccc3cc(C#N)ccc3n2)CCCS1 92921640 IJYAXROJDUXCHX-MRXNPFEDSA-N 283.400 3.804 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2[C@H](C)CC[C@H]2CC)c1C 331120097 LXCVHUZVESKQTK-OUCADQQQSA-N 292.427 3.971 30 20 CHED C=CCc1cccc(F)c1OCCOCC(F)(F)F 424100786 LLSUZDYUPPVFAE-UHFFFAOYSA-N 278.245 3.512 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1cc(F)cc(F)c1)CC2 334981466 WVWKKGXIAVTOKH-KRWDZBQOSA-N 284.309 3.614 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N(C)Cc1cccc(Cl)c1Cl 336236578 CNYNIBDCUCKUBM-XPTSAGLGSA-N 297.185 3.502 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(C(F)F)cc2)C1 335931975 POFATPBFIIRWTP-ZBEGNZNMSA-N 292.329 3.826 30 20 CHED C=CCCN[C@H](C)c1ccc(SCCOC)cc1 338565922 CIFHGCWYGCFZOZ-CYBMUJFWSA-N 265.422 3.652 30 20 CHED CC1(C)CC=C(C(=O)N2CCC(CCC#N)CC2)CC1 335502240 WRPXKTOEAFYXDU-UHFFFAOYSA-N 274.408 3.665 30 20 CHED C=C(C)CNCc1ccc(-c2c(F)cccc2F)o1 512375535 UFJPKSULIQZEGC-UHFFFAOYSA-N 263.287 3.891 30 20 CHED Cc1nsc(NCc2ccc(F)c(Cl)c2)c1C#N 92912345 KMLHZNMIQBSXQA-UHFFFAOYSA-N 281.743 3.728 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)C2=CCC2)s1 334808974 XFMXXWHBLJUPJT-UHFFFAOYSA-N 260.362 3.576 30 20 CHED CC(C)[C@H]1N(Cc2ccc(C#N)cc2)CC12CCC2 430099198 SYYAJKLHRILZHE-MRXNPFEDSA-N 254.377 3.569 30 20 CHED C[C@@H](C1CC1)N(CCCCC#N)Cc1ccccc1 269013956 NXDTYFGWOXHNGG-HNNXBMFYSA-N 256.393 3.981 30 20 CHED N#Cc1cc(CN2CC[C@H](c3ccccc3F)C2)ccc1F 339381530 XKFPPTBQKUPLHD-AWEZNQCLSA-N 298.336 3.826 30 20 CHED COc1cccc([C@@H]2CN([C@@H]3CC[C@@H](C#N)C3)CC2(C)C)c1 528626783 RNTALGUMCUKQJM-KYJSFNMBSA-N 298.430 3.813 30 20 CHED CCCC[C@H](C)C(=O)N(CCC#N)CC(C)(C)C 503290729 MNFYNSCIRVRBOC-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED N#Cc1ccncc1N[C@@H]1C[C@H]1c1ccc(Cl)cc1 94157011 NBTJYFSAUNABEF-UONOGXRCSA-N 269.735 3.575 30 20 CHED N#CCCCNCc1ccc(F)c(-c2cccs2)c1 344363014 SIEOMRMXXFBLLF-UHFFFAOYSA-N 274.364 3.948 30 20 CHED C=CC[C@@H](C)NC(=O)COc1ccc(C(C)C)c(C)c1 523963138 ZPSZZYTUIMUXTR-CQSZACIVSA-N 275.392 3.578 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccn1 341846772 LWMSYGLFZRMMRJ-LBPRGKRZSA-N 297.383 3.586 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc2cnccc12 348526371 VEHJTOXUUAUKFH-UHFFFAOYSA-N 295.386 3.779 30 20 CHED CC#CCCCC(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 248614307 HWNBIPNOAYGOAC-GPMSIDNRSA-N 299.414 3.557 30 20 CHED COc1cccc(CSc2nc(C)ccc2C#N)c1 341843124 MJWQDNNFRPTNBZ-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CC[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 248873862 QWZVGFDQEBAKDH-BFYDXBDKSA-N 256.393 3.852 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(Br)c1 525956967 RALPCNRTJOCHFP-CYBMUJFWSA-N 282.181 3.990 30 20 CHED CC[C@@H](C#N)NC(=O)c1cc(C(C)C)cc(C(C)C)c1O 436605272 LBAHRZAKAXKLHC-ZDUSSCGKSA-N 288.391 3.671 30 20 CHED O=C(Nc1ccccc1C#Cc1ccccc1)c1ccoc1 349165469 DIHCPSZBJBRNMO-UHFFFAOYSA-N 287.318 3.932 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](CC(C)C)c1ccccc1 524870946 BMTWPMMNLRJIPF-ZBFHGGJFSA-N 259.393 3.897 30 20 CHED CC(C)N(Cc1ccc(CC#N)cc1)Cc1cccnc1 343717924 SPCYVMQFKJTSOC-UHFFFAOYSA-N 279.387 3.558 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)[C@@H](C)CCC 436309675 PANSQEPTBQONOX-JJXSEGSLSA-N 253.430 3.772 30 20 CHED COc1ccc(-c2ccc(CNC(C)C)cc2)c(C#N)c1 600792137 WKNIPDZLDAROCI-UHFFFAOYSA-N 280.371 3.732 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCc2c(C)cccc21 436311352 WYSXVVUMTOPGEA-QGTPRVQTSA-N 271.404 3.553 30 20 CHED Cc1cc(C)cc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 254705105 ONGGLRPGYSKLST-UHFFFAOYSA-N 270.288 3.668 30 20 CHED CCc1nnc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C#N)c1CC 250141402 UNWXDLXOZNWWCR-XHBSWPGZSA-N 286.423 3.710 30 20 CHED CC(C)CCN(CCC#N)C[C@H]1CCCCN1C(C)C 340287059 FXRHLIXMLIRNAU-QGZVFWFLSA-N 279.472 3.511 30 20 CHED C[C@H](CC#N)NCC/C=C/c1ccc(Br)cc1 600603630 NUSPVKPKVWHHQU-FXMSTWTQSA-N 293.208 3.744 30 20 CHED Cc1ccc(CN(Cc2ccco2)CC2(C#N)CC2)s1 343315445 QHGHAEQQXNIYSI-UHFFFAOYSA-N 286.400 3.956 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 521781496 YAESZPKQCOMMID-JENIJYKNSA-N 292.382 3.752 30 20 CHED CO[C@H](c1ccccc1Cl)[C@@H](C)NC[C@H](C)CCC#N 602600432 JOWAPFCNYANVOV-IOASZLSFSA-N 294.826 3.945 30 20 CHED C=CCSCCNC(=O)[C@@H](C)Sc1ccc(C)cc1 345073475 CKCQABGPZRTOTH-CYBMUJFWSA-N 295.473 3.511 30 20 CHED CC1(C)C(C(=O)Nc2sc3c(c2C#N)CCC3)C1(C)C 348121672 NXEQVRYLKOAPQD-UHFFFAOYSA-N 288.416 3.729 30 20 CHED C=CCCCC[C@@H](C)NC[C@H]1CCCn2cc(C)nc21 449174973 ZKKKUUWJKYKCEY-GDBMZVCRSA-N 275.440 3.793 30 20 CHED C=CCOc1ccc(C(=O)N2CCc3sccc3C2)cc1 253377901 YNHVNDZAMVINSE-UHFFFAOYSA-N 299.395 3.511 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccc(O)cc2F)CCCC1(C)C 444633984 FVYISHSSXDYDKG-HNNXBMFYSA-N 291.366 3.738 30 20 CHED C=CCC1(C(=O)NCc2scnc2C)CCCCC1 448908944 KLZIVIYWNAWVFA-UHFFFAOYSA-N 278.421 3.594 30 20 CHED C=C(C)COc1cc(CNCCC2(C)CC2)ccc1OC 355110838 HEFAYYASYLVUGD-UHFFFAOYSA-N 289.419 3.930 30 20 CHED CC(C)[C@H](C)N(C(=O)c1ccc(Cl)c(C#N)c1)C1CC1 537165769 WEYRJVJLHQPBIV-NSHDSACASA-N 290.794 3.861 30 20 CHED CC1(C)CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 357134528 JCWLCKBSVMENJU-MRXNPFEDSA-N 299.418 3.863 30 20 CHED Cc1ccc(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1C 447914839 QARGLXHSKTVKLS-RBUKOAKNSA-N 298.430 3.731 30 20 CHED C=CCN(CCC[C@H](C)O)Cc1ccc(Cl)s1 354872617 QUEXUDJGQRGLAF-NSHDSACASA-N 273.829 3.551 30 20 CHED COC(=O)c1cc(N[C@@H]2CCC[C@H](C#N)C2)c(C)cc1C 446807492 ZVKPEQHYXQUWJI-UONOGXRCSA-N 286.375 3.584 30 20 CHED C[C@@H](NC1CCC(C)(C#N)CC1)c1cccc([N+](=O)[O-])c1 449091620 QTCJVNMMVGPHBC-XEBKBJJBSA-N 287.363 3.718 30 20 CHED C[C@H]1CCC[C@@H](C)CN1Cc1cn2ccccc2c1C#N 357745293 OOYPFPSUSANPFA-CABCVRRESA-N 281.403 3.821 30 20 CHED CC(C)N(Cc1ccccn1)Cc1cccc(C#N)c1F 538137229 ZYQKJDUUJOAYIU-UHFFFAOYSA-N 283.350 3.503 30 20 CHED C=CCOc1cccnc1-c1nc(C2CCC(C)CC2)no1 356191279 JWMMPGBIFJRKJE-UHFFFAOYSA-N 299.374 3.990 30 20 CHED Cc1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)c(Cl)c1 612290189 SGXICUVKVAAVHZ-OAHLLOKOSA-N 291.782 3.806 30 20 CHED C=CCN(C(=O)c1ccc(CC#N)cc1)c1ccccc1 535475476 MWSUXFSJPJPCGH-UHFFFAOYSA-N 276.339 3.585 30 20 CHED CCN(CCC(F)(F)F)Cc1ccc(C#N)c(C)c1 618593863 FGHSHMZZUDTEAV-UHFFFAOYSA-N 270.298 3.641 30 20 CHED COCCN(Cc1ccc(C#N)cc1C)[C@H]1CC[C@H](C)C1 616873179 XPKJLPBZAQPGEC-KSSFIOAISA-N 286.419 3.504 30 20 CHED C=CCOc1ccc(CN2CC[C@@](C)(F)C2)cc1Cl 537722309 PEFDNMHPAINWAI-OAHLLOKOSA-N 283.774 3.839 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@H]2CCCC[C@H]21 536152822 VZPLLLQWSXXCPT-JLSDUUJJSA-N 296.414 3.793 30 20 CHED C=CCOc1cccc(CNc2cnc3onc(C)c3c2)c1 361443346 QYJXRHCCXGAOLN-UHFFFAOYSA-N 295.342 3.708 30 20 CHED CC(C)(C#N)CCCCN1CCc2ccc(O)cc2CC1 618286808 JIBLRWNHUTWCEA-UHFFFAOYSA-N 286.419 3.513 30 20 CHED Cc1nccn1-c1ccc([C@H](C)NCC2(C#N)CCC2)cc1 450674847 CFTPPPWUKAFRSH-AWEZNQCLSA-N 294.402 3.525 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cncc(C)c1 362821164 VSPXYDOQHQGZSH-UHFFFAOYSA-N 284.384 3.920 30 20 CHED CCCCOCCCN[C@@H]1CCCc2cc(C#N)ccc21 611390259 MGYSOJFEEJPEFD-GOSISDBHSA-N 286.419 3.732 30 20 CHED CC(C)[C@@H](C)CNC(=O)Nc1ccc(CC#N)cc1Cl 455702970 LSXDZIZGLLOTAN-NSHDSACASA-N 293.798 3.820 30 20 CHED C=CC(C)(C)c1nc(CCCc2ccsc2)no1 453139686 BLSCQYHPURUGBN-UHFFFAOYSA-N 262.378 3.770 30 20 CHED C#C[C@@H](CCC)NC(=O)CCSc1ccccc1Cl 700627175 ILYPBRGYMVAOBM-LBPRGKRZSA-N 295.835 3.740 30 20 CHED C[C@H](OCCCNc1cccnc1C#N)c1ccccc1 274017760 LHJPXTBVGKJDPA-AWEZNQCLSA-N 281.359 3.533 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)c2ccccc2F)C1 617784070 MQQOBJHKGRFFJH-ZIAGYGMSSA-N 275.367 3.744 30 20 CHED CO[C@]1(C)C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1(C)C 611393582 IGOVUINCQZQWMZ-JENIJYKNSA-N 298.430 3.729 30 20 CHED C[C@H]1CN(CCCCC(C)(C)C#N)c2ccccc2NC1=O 277884581 ZKANQXMNAYGRCO-AWEZNQCLSA-N 299.418 3.801 30 20 CHED C=C(C)CNC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 362648555 JWUPABXDGQFHNA-ZIAGYGMSSA-N 257.377 3.668 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@H]2CCC[C@H]2F)c1 549706267 OVIJCGRDSFWDLL-MNOVXSKESA-N 272.245 3.880 30 20 CHED Cc1cccc([C@@H](C)NC(=O)N(C)CC(C)(C)C#N)c1C 458394460 BSYQJKYPWNMTMR-CQSZACIVSA-N 287.407 3.556 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(F)c(C)c1 452317834 JLYUKPQIINYBIZ-GFCCVEGCSA-N 263.356 3.914 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(CCCCC#N)C2)cc1 278688687 PMHPHRWWIQXWDJ-NVXWUHKLSA-N 256.393 3.867 30 20 CHED C=C(C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 452722466 JZIYEZVHXBHFNA-UONOGXRCSA-N 263.768 3.526 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cn(CCCC)nc1C 540319932 HIWVHECILQXMFP-KGLIPLIRSA-N 263.429 3.682 30 20 CHED Cc1cc(F)c(CN(C)CC(C)(C)C#N)c(Cl)c1 459591353 OCOBBYSHUWGSKK-UHFFFAOYSA-N 268.763 3.769 30 20 CHED C=CCN(C(=O)c1ccc(C(C)=O)cc1F)c1ccccc1 540699375 AYZAQLBCQOOPSX-UHFFFAOYSA-N 297.329 3.861 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1nsc2ccccc12 620864336 AKVKLRZJFSZEKK-UHFFFAOYSA-N 288.416 3.700 30 20 CHED Cc1ccccc1[C@@H](NCC1(C#N)CCC1)C(C)C 450684358 RQLNDBRIGHPWLN-INIZCTEOSA-N 256.393 3.976 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)c1 542319760 RNMYQFMDMVHBFG-QGZVFWFLSA-N 294.373 3.995 30 20 CHED CC[C@H](C)Oc1ccc(NC(=O)CC(C)(C)C#N)cc1 278264245 ODSDDQVTDODVJJ-LBPRGKRZSA-N 274.364 3.742 30 20 CHED C=CCC[C@@H](CC)N[C@@H](COC)Cc1ccccc1 462110472 ULDYUSZQQMWXPJ-IAGOWNOFSA-N 261.409 3.579 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(SC)ccc1C 271987585 FRUKCENUYKLDOX-NSHDSACASA-N 264.394 3.803 30 20 CHED CCCCCCC(=O)CSc1ccc(C#N)cn1 275789839 CCWMWLWHZXJFFH-UHFFFAOYSA-N 262.378 3.585 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)c1c(C)cccc1C 546913594 XNRJUDQJSQNYRP-KBPBESRZSA-N 260.381 3.628 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CC1CC(c2ccccc2)C1 281017775 PEJRAPHNDTZFQV-JFUPDXTOSA-N 284.403 3.625 30 20 CHED Cc1cccc(O[C@H](C)CNc2ccc(F)cc2C#N)c1 462913725 MTKGVKYSAARGOH-CYBMUJFWSA-N 284.334 3.885 30 20 CHED CC1(C)CN(Cc2cc(C#N)cs2)[C@@H]2CCC[C@H]21 556958475 GGCDKXYPUBCEHD-ZIAGYGMSSA-N 260.406 3.630 30 20 CHED Cc1cc(N2CCC[C@H](Cc3ccccc3)C2)cc(C#N)n1 553409180 NLBRPRONKUAVJR-QGZVFWFLSA-N 291.398 3.721 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(C#N)c(F)c2)cc1 464647167 JNTWWMRYKIMPPV-CYBMUJFWSA-N 296.345 3.823 30 20 CHED C=C(C)CCc1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 285105868 LPCHTVPHODOYEE-AVGNSLFASA-N 263.385 3.512 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 631654249 WJSQGNCSMUEIOS-SRABZTEZSA-N 259.393 3.707 30 20 CHED Cc1ccc(-c2ccc(C)c(NC(=O)NC[C@@H](C)C#N)c2)o1 559444997 XIHTXZVNAUTILI-NSHDSACASA-N 297.358 3.845 30 20 CHED C#CCCOc1ccc(C(=O)N(C2CCC2)C2CCC2)cc1 295422437 KDVURPVDJWMLIT-UHFFFAOYSA-N 297.398 3.636 30 20 CHED C=C(C)CN1CCC(NCc2cccc(CCC)c2)CC1 479552154 GNNGHNZIYXDSQN-UHFFFAOYSA-N 286.463 3.769 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCCc1ccccc1F 475477116 DFVJOVAMNFWBQN-OAHLLOKOSA-N 290.382 3.508 30 20 CHED C=CCC1(C(=O)N[C@@H]2COc3ccc(Cl)cc32)CCC1 477701379 JFKRYMIKBIAGSC-CYBMUJFWSA-N 291.778 3.636 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 476427894 BKOUJQQBKKEWRO-BRWVUGGUSA-N 290.451 3.953 30 20 CHED C[C@@H](C#N)OCCNc1ccc(CCC(F)(F)F)cc1 802743167 HQPXJZGYMOCBOI-NSHDSACASA-N 286.297 3.522 30 20 CHED Cc1ccc(F)c(NN=Cc2ccc(C(F)(F)F)[nH]2)c1 807975837 AAVNASCGMQSBCH-UHFFFAOYSA-N 285.244 3.927 30 20 CHED C=CCCCCCCNC(=O)C(F)(F)c1ncccc1C 805217612 GCWXXUWHGNNCMQ-UHFFFAOYSA-N 296.361 3.735 30 20 CHED C=CCOc1ccccc1CNC(=O)C(C)(C)CCC 649720503 KFWJDUDSTSEAEE-UHFFFAOYSA-N 275.392 3.694 30 20 CHED C#C[C@H](NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C)C(C)(C)C 808316261 RPKJOHQNMUVXMD-UAGQMJEPSA-N 298.430 3.622 30 20 CHED C#C[C@H](NC(=O)C(CC)CC)c1ccc(Cl)cc1F 804417730 RUSDPDFNJZANBV-AWEZNQCLSA-N 281.758 3.706 30 20 CHED CC(=NN[C@@H]1CCSC1)[C@H](C)c1ccc(Cl)cc1 807998757 ANXUFXUUFAJWJV-IINYFYTJSA-N 282.840 3.915 30 20 CHED C=CCOCCCc1nc([C@@H]2CCCC[C@H]2CC)no1 567359057 HZMGRIRFRHGPKU-ZIAGYGMSSA-N 278.396 3.889 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)c(F)cc1Cl 295061381 ZVZNIXOPVLTHCU-UHFFFAOYSA-N 276.138 3.781 30 20 CHED COc1cc(NCc2ccc(C#N)cc2F)c(C)cc1C 475672823 UUNUCTKWOQFQIH-UHFFFAOYSA-N 284.334 3.935 30 20 CHED C=CCCCCNC(=O)NC(C)(C)c1cccs1 474090092 QEQJMPVZHLQPHM-UHFFFAOYSA-N 266.410 3.639 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)s1 290565262 SOSIBFQOBLOTTE-HNNXBMFYSA-N 271.389 3.598 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCC[C@H]1C[C@H](C)O[C@H](C)C1 563275300 AUDLJOJBUZAQQF-LVQVYYBASA-N 296.455 3.624 30 20 CHED CC(C)OCCON=Cc1ccc(C(F)(F)F)s1 812240011 GUXAKVZMOLGGGY-UHFFFAOYSA-N 281.299 3.542 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 483403050 ZHZVQHBLAJVXHI-KGLIPLIRSA-N 290.382 3.679 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc2c(c1)CCCCC2=O 810667133 AOTHBLIJRMJEAU-MRXNPFEDSA-N 299.370 3.691 30 20 CHED N#CCCN(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1ccc(F)cc1 562515930 BJLQSOFRZNKNMI-WWGRRREGSA-N 286.350 3.509 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1ccc(F)cc1 486888629 SQZUNOIVLQFUGN-UHFFFAOYSA-N 288.322 3.681 30 20 CHED C[C@@H]1CCCC[C@H]1N1CCC(=NOC2CCC2)CC1 812236819 VPIKREFBMBQURY-CZUORRHYSA-N 264.413 3.586 30 20 CHED Cc1sccc1C=NN[C@@H]1CCCCC1(C)C 814917574 NIUNRFAQOJGWOG-CYBMUJFWSA-N 250.411 3.949 30 20 CHED c1ccc(C[C@@H]2CCCC2=NNC[C@H]2CCSC2)cc1 811659664 VZKKQSDFPWPNJC-CVEARBPZSA-N 288.460 3.728 30 20 CHED C=CCCCCCCCN[C@@H](C)c1cc(C)n(C)n1 815627803 KDBQZOUHVQZNJP-HNNXBMFYSA-N 263.429 3.906 30 20 CHED C=CCC(C)(C)c1noc(-c2ncoc2C(C)C)n1 815706785 XZBIWEJYKJMMTJ-UHFFFAOYSA-N 261.325 3.702 30 20 CHED Cc1ccc2nc(NC(=O)c3ccc(C#N)s3)sc2c1 487215257 AIKHRUJBESVKKO-UHFFFAOYSA-N 299.380 3.790 30 20 CHED C=C(C)[C@H](N[C@H](CC)[C@@H]1CCOC1)c1ccc(F)c(F)c1 480671291 XLULDFONYGYJNZ-XYPHTWIQSA-N 295.373 3.987 30 20 CHED C=C(Br)CN1CCC[C@@H](c2ccccc2)C1 814643648 QPDMOJVPUIICOC-CQSZACIVSA-N 280.209 3.775 30 20 CHED COc1ccc(F)cc1/C=C\C(=O)c1ccc(F)cc1 812239839 FYRQZXSSAXHSKP-YWEYNIOJSA-N 274.266 3.870 30 20 CHED C=C(C)Cn1c(C2CCCC2)nnc1N(CC)CC1CC1 572929345 WRTBAWIULANBEY-UHFFFAOYSA-N 288.439 3.748 30 20 CHED CCC[C@@H](C)CC(=O)Nc1cc(C#N)c2ccccc2n1 570966580 MGPHWPXGXCQHFJ-GFCCVEGCSA-N 281.359 3.871 30 20 CHED CCOc1ccc(NN=Cc2sc(C)nc2C)cc1 814985463 HOWAQXKNCOYVKF-UHFFFAOYSA-N 275.377 3.605 30 20 CHED C=C(CC)CN[C@@H](COC)c1cccc(Cl)c1 572520566 KGZRZMQKHLBHIR-AWEZNQCLSA-N 253.773 3.583 30 20 CHED C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C 810218718 KWYIDMJBBSPPIT-LRDDRELGSA-N 256.393 3.817 30 20 CHED CCCC(=NOCCOC(C)C)c1ccc(OC)cc1 814937027 RGQYXRORSBPRMX-UHFFFAOYSA-N 279.380 3.641 30 20 CHED N#CCOc1cc(F)ccc1NCC1Cc2ccccc2C1 811488258 QHZHZLNXTWYMDN-UHFFFAOYSA-N 296.345 3.555 30 20 CHED CCC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccco1 814904995 JNFKENNTDMLLDE-UHFFFAOYSA-N 277.255 3.553 30 20 CHED Cc1cc(C=NN[C@H](C)COc2ccccc2)ccc1F 811665427 PFTREVJYEWCHLZ-CQSZACIVSA-N 286.350 3.525 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1nc2ccccc2cc1Cl 810563507 LAAXNIYODYXDIA-ZDUSSCGKSA-N 288.734 3.593 30 20 CHED C=CCC(C)(C)CNCc1nc2ccc(OC)cc2s1 574469341 XTDIDCXAXMPFNY-UHFFFAOYSA-N 290.432 3.997 30 20 CHED Cc1ccc2sc(C(=O)O[C@H](C#N)C3CC3)cc2c1 810603141 ZSYZLPBDWBCSTQ-GFCCVEGCSA-N 271.341 3.669 30 20 CHED CC(=NOC/C=C\Cl)c1nc2cc(Cl)ccc2n1C 811672418 YKPVOSSWIMIRHV-AYKPBZQESA-N 298.173 3.720 30 20 CHED Cc1ccc(C(=O)N2CCC(CCC#N)CC2)c(C(C)C)n1 570096794 QUERCUDFTYCGNP-UHFFFAOYSA-N 299.418 3.669 30 20 CHED CSCCCC=NNc1ccc2ccccc2n1 814697164 BHNSHRDMVCWRQF-UHFFFAOYSA-N 259.378 3.776 30 20 CHED N#Cc1ccc(OCCCOc2ccc(F)cc2)c(F)c1 486669921 BGADNAQCJVONOM-UHFFFAOYSA-N 289.281 3.684 30 20 CHED Cc1nc(N2C[C@H](c3ccccc3)C[C@H]2C)ccc1C#N 488072023 UCISZJYGLJOPBT-CXAGYDPISA-N 277.371 3.644 30 20 CHED CC1=C(C)C[C@H](C(=O)N(CC#N)c2ccccc2)CC1 575870009 UVNBNGZHWMAKRH-OAHLLOKOSA-N 268.360 3.680 30 20 CHED CC(C)c1ccc(O[C@H](C)CNc2cnccc2C#N)cc1 576013088 KCOBCKTVADOXAB-CQSZACIVSA-N 295.386 3.956 30 20 CHED C=CCC1(CNCc2c(C)nn(C)c2Cl)CCCC1 825079276 QAVZRYBXLKWQHY-UHFFFAOYSA-N 281.831 3.608 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCCCC[C@H]1c1ccc(C)o1 821567891 ZAFPTBCZPBDXFU-GJZGRUSLSA-N 288.391 3.627 30 20 CHED C=CCN(CC1CCCCC1)[C@H](CC(C)C)C(=O)O 576046430 MZWNDSSTOBZPSV-OAHLLOKOSA-N 267.413 3.554 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc(C#N)cc1Cl 820747282 GUAYSVQMDJQXQT-UHFFFAOYSA-N 277.751 3.857 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C)nc2C(C)C)c1 823089053 SFTHYHCLHYUONJ-UHFFFAOYSA-N 292.382 3.771 30 20 CHED CCCCCCCCCCC(=O)Nc1nonc1C 727709262 AXPVLWKTOITJNY-UHFFFAOYSA-N 267.373 3.847 30 20 CHED Cc1csc(NC(=O)N(C)C2CCCCC2)c1C#N 577646161 GWPHXHXDGZVUEV-UHFFFAOYSA-N 277.393 3.725 30 20 CHED Cc1ccc2c(CC(=O)NCC(C)(C)CCC#N)coc2c1 574934438 QUOKRJOCRVLJHO-UHFFFAOYSA-N 298.386 3.730 30 20 CHED COc1ccc(CNN=C(C)CSC(C)(C)C)cc1 729636966 DWUCUVKAELEJRT-UHFFFAOYSA-N 280.437 3.692 30 20 CHED C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccc(C#N)cc1 493207394 CHTMLYDBAGVLJW-SNVBAGLBSA-N 299.296 3.801 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CC[C@H](C)CC1 582185565 QNYNTJNXQNUYKU-SHTZXODSSA-N 264.413 3.601 30 20 CHED C/C(=C(/F)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CC1 900608860 QBAPTULZTQNUFH-GFAPJHNFSA-N 292.741 3.674 30 20 CHED CCCCCCCC[C@H](N)c1nc(-c2cscn2)no1 904707641 JLQOFFUOWIJGSX-NSHDSACASA-N 294.424 3.944 30 20 CHED C#CCN(C(=O)Nc1ccc(Cl)cc1Cl)C(C)C 902937602 LLHVHBMANTXCNN-UHFFFAOYSA-N 285.174 3.869 30 20 CHED C=CC[C@H]1CCCN(Cc2cnc3c(cnn3C(C)C)c2)C1 661379434 YMCSSVHAKPVYKN-HNNXBMFYSA-N 298.434 3.800 30 20 CHED Cc1ccc(/C=C2\Cc3ccccc3C2=O)cc1F 731488536 JLUZCWZIHLCTMX-RIYZIHGNSA-N 252.288 3.957 30 20 CHED C=C(Br)CN1C[C@H](c2ccc(F)cc2)C[C@@H]1C 736946555 PSFNBZCNRCMWTC-WCQYABFASA-N 298.199 3.912 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1nc([C@@H](C)SCC)no1 909526454 XYEYTQLZRLMRDN-MNOVXSKESA-N 298.408 3.529 30 20 CHED C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1 903337508 DIKYDOKQSJXOOH-UGSOOPFHSA-N 277.371 3.755 30 20 CHED CC[C@@H]1CCCC(=NNC(=S)NC2CCCCC2)C1 734977359 OYKFVWHLBFHWQU-GFCCVEGCSA-N 281.469 3.739 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCC[C@]1(C)C(=O)O 901733866 LWSNDTOZPOSRTK-LZWOXQAQSA-N 269.429 3.968 30 20 CHED CC(=NNc1ccccn1)c1cccc(OC(F)(F)F)c1 730946146 HZROYVPHXKGJMN-UHFFFAOYSA-N 295.264 3.816 30 20 CHED C=CCN(C(=O)NC1CC(C)(c2ccccc2)C1)C(C)C 730070121 VIMQGEISTLHGSQ-UHFFFAOYSA-N 286.419 3.713 30 20 CHED CC(=NOC(C)C)c1cc(Br)cs1 835002842 OXRLUGGFVLFXNO-UHFFFAOYSA-N 262.172 3.660 30 20 CHED COc1cccc(NN=Cc2c[nH]c3ccc(C)cc23)c1 735612511 POXIUTSFKCZJPP-UHFFFAOYSA-N 279.343 3.931 30 20 CHED CN(C)c1cc(N[C@H]2CC[C@H](C#N)C2)ccc1Cl 903353761 GKLLUACPKGPTCM-QWRGUYRKSA-N 263.772 3.510 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(/C=C/C)cc1 673352773 CXKAMSFYGQOTRW-ZZXKWVIFSA-N 266.344 3.960 30 20 CHED C=C(Cl)COC(=O)[C@@H](CC)Cc1ccccc1 732858390 YRAJTEFZYVIQKM-ZDUSSCGKSA-N 252.741 3.551 30 20 CHED Oc1cccc(/C=N\Cc2ccccc2OCC2CC2)c1O 739425628 GQMZVRLTRNQRDF-ODLFYWEKSA-N 297.354 3.506 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NN[C@H](C)C(F)(F)F 834999637 FYVLMOLRDKXJHI-RKDXNWHRSA-N 250.308 3.729 30 20 CHED Cc1cc(C)cc(NC(=O)Nc2sccc2C#N)c1 585201639 SXODLOFZOUYKEZ-UHFFFAOYSA-N 271.345 3.881 30 20 CHED C=CCC[C@H](NC[C@@H](OC)C(C)(C)C)c1ccco1 671749543 HDERZHCWWWIJJK-DZGCQCFKSA-N 265.397 3.938 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1ccc(Cl)nc1 748997457 DQLLQVCAHQDNJX-QPJJXVBHSA-N 287.746 3.948 30 20 CHED CCN(CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 595548561 WNAFEHBYNHSQKN-UHFFFAOYSA-N 268.282 3.835 30 20 CHED CCOc1ccc(/C=N\CCc2cccc(C)c2)c(O)c1 749103748 ANQWTZJZXFAWGH-UYRXBGFRSA-N 283.371 3.761 30 20 CHED COc1cc(F)cc(/C=C\C(=O)c2coc(C(C)C)n2)c1 844551736 HQTGSRFXLNAVDR-PLNGDYQASA-N 289.306 3.842 30 20 CHED CC(C)(C)c1nn(CC2(C#N)CCC2)cc1Br 596285549 LVXBRCGCXLXLSZ-UHFFFAOYSA-N 296.212 3.637 30 20 CHED CC(=NNc1ccc(F)cc1)c1nc2ccccc2n1C 744563431 PEWZWNKISRNWMQ-UHFFFAOYSA-N 282.322 3.549 30 20 CHED CC(C)c1ccc2ncnc(N[C@@H]3CC[C@H](C#N)C3)c2c1 596281448 QZGQMAAJWFZXDN-GXTWGEPZSA-N 280.375 3.857 30 20 CHED N#CCCNCC1(c2cccc(Cl)c2F)CCCC1 591764064 BHIRGOHHMOBENK-UHFFFAOYSA-N 280.774 3.794 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1oc(SC)cc1C 598834605 MHSXGVHDWFOVBP-UHFFFAOYSA-N 294.420 3.854 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc(O)cc1 916346453 CGCLEYRLKPQHFX-UHFFFAOYSA-N 254.333 3.845 30 20 CHED CCCC[C@@H](C)N(CCCC)C(=O)c1cccc(C#N)n1 590520553 QNZDGTNBMCAZML-CQSZACIVSA-N 287.407 3.774 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc2c(Cl)c(C)cnc12 912751965 WDUSBLQGVSJCNT-JTQLQIEISA-N 287.750 3.685 30 20 CHED C#Cc1cccc(NC(=S)N(CC)C[C@H](C)CC)c1 748601974 OMCLSCMOSHQJES-CYBMUJFWSA-N 274.433 3.733 30 20 CHED COc1cc(C=NNc2ccc(Cl)c(F)c2)ccc1O 747636718 PLYHZLYFMGKNHA-UHFFFAOYSA-N 294.713 3.639 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 593443334 FPWAFWUVLXIDCO-NXEZZACHSA-N 299.201 3.590 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@@H]2c2cccc(C)c2)n1 596085582 YDOQWULAAYBWDG-MRXNPFEDSA-N 292.386 3.561 30 20 CHED N#CC1(CC(=O)Nc2c(F)cc(F)cc2F)CCCCC1 598815641 NKQOQARGYRUJJY-UHFFFAOYSA-N 296.292 3.907 30 20 CHED CC[C@H](CSc1ccc(C#N)cn1)CC(F)F 594892097 XDSBFFIAKNXTAO-VIFPVBQESA-N 256.321 3.727 30 20 CHED Clc1ccccc1C=NNc1ncccc1Cl 917549169 JKAKTYUGWVQPEL-UHFFFAOYSA-N 266.131 3.834 30 20 CHED CN(c1ccccc1)[C@@H]1CCN(CCCCC(C)(C)C#N)C1 595829106 WIXRETCSSVCGMV-GOSISDBHSA-N 299.462 3.917 30 20 CHED C=CC(C)(C)CNC(=S)Nc1cc(C)ccc1F 840795145 UNDCXHAMTPLKJE-UHFFFAOYSA-N 266.385 3.633 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)n1)[C@@H]1C[C@@H]1C 841626978 XHJZJYXBVHCHPB-DTWKUNHWSA-N 271.286 3.934 30 20 CHED C#CCCCCCC(=O)OCc1cc(C)nc(Cl)c1 840426009 PTMRQNQPKUGNQQ-UHFFFAOYSA-N 279.767 3.670 30 20 CHED CSCCCON=Cc1ccccc1Br 742352815 XEDMKBUPKJZEKK-UHFFFAOYSA-N 288.210 3.553 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)C(C)C 745874839 FVRKXZFTAKTSLY-QLFBSQMISA-N 264.413 3.561 30 20 CHED CC1(C)CN([C@@H](C#N)c2ccccc2)[C@@H]1c1cccnc1 596592664 ZXYYYOVCEKGVSK-DLBZAZTESA-N 277.371 3.729 30 20 CHED CCCCSCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842939330 PDFULRWRTYINTJ-LLVKDONJSA-N 294.445 3.730 30 20 CHED CC(C)(CC#N)CNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 597761596 SEEDYJBIGQAWOU-SJORKVTESA-N 298.430 3.701 30 20 CHED CCC[C@@H](C)CC(=O)O[C@@H](C)c1ccc(C#N)cc1 748677530 PWXZNIRBUZCURV-OLZOCXBDSA-N 259.349 3.989 30 20 CHED CCC/N=C(/NCc1ccc(C)cc1C)NC(C)(C)C 912509742 OYMHNHHVWXOOMW-UHFFFAOYSA-N 275.440 3.547 30 20 CHED CCN(CC)c1ccc(/C=N/[C@@H]2CCS[C@@H]2C)c(O)c1 843264718 RPGSMUNRHJDFBS-AUCUTYNJSA-N 292.448 3.551 30 20 CHED CC[C@H](CC(=O)Oc1cccc(OCC#N)c1)C(C)C 841346182 VGQHXDMRCSZLHT-CYBMUJFWSA-N 275.348 3.567 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc3ncccc3c2)cn1 746687383 YTRNNYUMDRGNPF-SOFGYWHQSA-N 291.354 3.908 30 20 CHED CCC(C#N)(CC)C(=O)NCC1(c2ccccc2)CCCC1 598991706 BZYAOCBBUCKXQA-UHFFFAOYSA-N 298.430 3.945 30 20 CHED CCOc1cccc([C@H](C)/N=C\c2cccc(OC)c2O)c1 745013035 SFFPAVCAIRBDCZ-QXGSTRBFSA-N 299.370 3.980 30 20 CHED N#CC1(CCOC(=O)[C@H]2CCCCS2)CCCCC1 840428593 UYPBUNQHJNLPNX-CYBMUJFWSA-N 281.421 3.679 30 20 CHED Cc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1C#N 593954854 SFBXYGKZZAKLAI-IBGZPJMESA-N 293.366 3.839 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H](c2ccc(F)cc2)C1 926484697 CSRKMQVQCIJVQD-XNRPHZJLSA-N 274.383 3.990 30 20 CHED Brc1cccc(NN=Cc2cccs2)c1 745991734 RJNLIBBMEKLUIK-UHFFFAOYSA-N 281.178 3.957 30 20 CHED CC[C@@H]1CN(CCCCC2(C#N)CCC2)CCS1 929752552 BXRVNNBUBQSHBI-CQSZACIVSA-N 266.454 3.678 30 20 CHED CCOc1ccccc1C=NNc1cc(F)cc(F)c1 920376828 VCQLLYFASGDTTA-UHFFFAOYSA-N 276.286 3.810 30 20 CHED C=C(Cl)CSCC(=O)Nc1c(C)cccc1CC 853782489 COVARHYYSDQDMH-UHFFFAOYSA-N 283.824 3.982 30 20 CHED COc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1C 921263501 FILXSCARMTVPJT-LCYFTJDESA-N 282.314 3.965 30 20 CHED CCCOc1ccc(C=NOCc2cccnc2)c(C)c1 853323014 LVYAWMZWDHCPEL-UHFFFAOYSA-N 284.359 3.730 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cccc2cccnc12)OCC 756481770 SOKCUNIYPXISEE-MRXNPFEDSA-N 299.370 3.649 30 20 CHED C[C@H](NN=CC1=Cc2ccccc2OC1)c1ccccc1 920383893 ZTJIRGKCQGGXKL-AWEZNQCLSA-N 278.355 3.799 30 20 CHED CC(C)CN(C/C=C\c1ccc(F)cc1F)CCC#N 757720149 KMZAWLSEJCSHMH-HYXAFXHYSA-N 278.346 3.850 30 20 CHED CC1(C)CCC[C@H](C(=O)OCc2cccc(C#N)c2)C1 756266921 IEXNQCOQMIOZLF-HNNXBMFYSA-N 271.360 3.818 30 20 CHED CCCCOc1ccccc1NC[C@@H](O)CC(C)(C)C#N 857238353 MSYCGCYGNOPKJV-AWEZNQCLSA-N 290.407 3.578 30 20 CHED C#CC[C@H](NC(=O)NC(C(C)C)C(C)C)c1ccccc1 757661405 DMFSOPKWLHHYFM-INIZCTEOSA-N 286.419 3.731 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cnn(C(C)C)c1 750939106 UEYYGXVKEBVDIJ-UHFFFAOYSA-N 274.343 3.748 30 20 CHED C[C@H](OC(=O)[C@H](C)C1CCCC1)c1ccc(C#N)cc1 750200227 BIAXHESQDGQAPX-OLZOCXBDSA-N 271.360 3.989 30 20 CHED CC(C)CC1(C(=O)OCCCCC#N)CCCC1 756287125 LYASKNJUWOYNQR-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CC(C)(COC(=O)c1ccc(C#N)s1)c1ccccc1 750694919 ROXAXLHJHOMALC-UHFFFAOYSA-N 285.368 3.754 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1c(C)noc1C)C2=O 752889996 PVFQIFPFOKEGAD-VGOFMYFVSA-N 271.341 3.929 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCO[C@@H](c2ccccc2)C1 932066452 DNJUBQPCZKLVPI-NVXWUHKLSA-N 287.403 3.579 30 20 CHED FC(F)(F)CON=C1CCC[C@H]1c1ccccc1 764835319 KMOYVLJHRFSZOT-NSHDSACASA-N 257.255 3.889 30 20 CHED Cc1ccc(CCCC=NNCC(F)(F)F)cc1C 769825803 WOASMTCZWMTVAW-UHFFFAOYSA-N 272.314 3.764 30 20 CHED CCOc1ccc(/C=C2/CCc3scnc3C2=O)cc1 863196922 AHXBUZAMIYNSLH-XFXZXTDPSA-N 285.368 3.754 30 20 CHED Cc1ccc(CON=Cc2ccccc2F)cc1C 762190291 WRJLXGRCKHZFHM-UHFFFAOYSA-N 257.308 3.993 30 20 CHED O=C(O)c1cc(NN=Cc2ccc(Cl)o2)ccc1Cl 864536963 VUTQGMWACBVKLR-UHFFFAOYSA-N 299.113 3.731 30 20 CHED Cc1cc(C)c(C=NNc2c(F)cccc2Cl)[nH]1 769827364 USOVMWKIMSCNKW-UHFFFAOYSA-N 265.719 3.870 30 20 CHED O=C1/C(=C\c2cccc3nccn23)Cc2ccc(Cl)cc21 769614187 ISRBECXQCNTYPC-XFXZXTDPSA-N 294.741 3.810 30 20 CHED CC/C(C)=C(\C)C(=O)OCCCCC(C)(C)C#N 768844941 INBMSQIYYAIKIT-OUKQBFOZSA-N 251.370 3.996 30 20 CHED CCCCCCCCN1C(=O)N[C@H](c2cccs2)C1=O 760925257 JRYOEIGYLIDQHJ-CYBMUJFWSA-N 294.420 3.702 30 20 CHED COc1ccc(C(=O)/C=C/c2sccc2OC)cc1 764433867 HENIXBKMUUUGPH-BQYQJAHWSA-N 274.341 3.661 30 20 CHED C=CC[C@H](N[C@H](C)c1cncs1)c1ccncc1 766017593 BTFWHIZZCMGODV-YPMHNXCESA-N 259.378 3.506 30 20 CHED C#CCCCSc1nnc(-c2ccccc2C)n1CC=C 766292291 HRXDSZCMFKWRLX-UHFFFAOYSA-N 297.427 3.945 30 20 CHED C#CCCc1noc(CCCc2ccc3ccccc3c2)n1 762015691 BSHWLFGLGVBKHK-UHFFFAOYSA-N 290.366 3.964 30 20 CHED CCc1ccc(C=NNc2nccc3sccc23)o1 760253404 KUXJSAGRHZLEOF-UHFFFAOYSA-N 271.345 3.898 30 20 CHED c1nc(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c2sccc2n1 764840705 JUOCIUQGLJKTHM-WYUUTHIRSA-N 298.415 3.915 30 20 CHED C[C@@H](NCc1cccn1C1CC1)c1ccc(C#N)cc1 1119340249 VCIAJYIQYCNZDX-CYBMUJFWSA-N 265.360 3.545 30 20 CHED CCOc1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)cc1 1117253204 GGIGJDAFYIEKTJ-UHFFFAOYSA-N 291.310 3.674 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ncc(C2CCCCC2)s1 770652663 KYBNBHLFOWTZPF-LLVKDONJSA-N 291.420 3.676 30 20 CHED N#Cc1ccccc1N(C(=O)CCC1CC1)C1CCC1 1119488816 XEMGJVAGUXCFPU-UHFFFAOYSA-N 268.360 3.634 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1csc([N+](=O)[O-])c1 773122631 BOSUUWITNGSCBY-LLVKDONJSA-N 281.381 3.549 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 772800997 DJJCWYLRUBRXRR-YVMONPNESA-N 296.257 3.502 30 20 CHED CC[C@H]1CCCCC1=NNc1cc(C#N)cc(Cl)n1 779781745 FSNRDXVQPOSZJY-NSHDSACASA-N 276.771 3.975 30 20 CHED CC(C)c1nccnc1NN=C1CC(C)(C)Cc2occc21 773093979 PICGVWLMERFIGL-UHFFFAOYSA-N 298.390 3.982 30 20 CHED C=CCNC(=S)N[C@@H](CC1CCC1)c1ccccc1 777923160 OHJDZRZHJNVOEC-HNNXBMFYSA-N 274.433 3.568 30 20 CHED CC#CCOC(=O)CCCc1ccc2ccccc2c1 775919036 WALWXEZSLOVMFU-UHFFFAOYSA-N 266.340 3.729 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc2c1OCC[C@@H]2OC 879820281 GOLAVFGRUNENJT-AWEZNQCLSA-N 289.375 3.697 30 20 CHED CC#CCCCC(=O)Oc1cccc(OC(F)(F)F)c1 778071723 JBPLXMZTYWDLJX-UHFFFAOYSA-N 286.249 3.684 30 20 CHED C#CCCCCCC(=O)N(CC)c1ccc(OC)cc1 779807556 CDGQKLKDVGDIAE-UHFFFAOYSA-N 273.376 3.632 30 20 CHED Clc1ccc2c(c1)C(=NOC1CCOCC1)CCS2 774451009 NMVKPYNKGBPBMI-UHFFFAOYSA-N 297.807 3.736 30 20 CHED C#C[C@H](N[C@@H](CC)c1cccc(Cl)c1)[C@H]1CCCO1 775573231 XSHBTRRJMAUDEK-HRCADAONSA-N 277.795 3.562 30 20 CHED CCC(=NNC[C@H](C)C#N)c1ccc(Cl)c(Cl)c1 771102442 GBVDVLJPQQUJPG-SECBINFHSA-N 284.190 3.857 30 20 CHED C#C[C@H](C)NC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 772977277 UJPFCYDCCHQWEP-NSHDSACASA-N 287.359 3.614 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCc3c(OC)cccc32)CC1 889505378 ZFVBPXYVCSWETJ-MRXNPFEDSA-N 285.387 3.545 30 20 CHED C#Cc1ccccc1C(C)=NNc1cc(Cl)ccn1 777905849 NQVPCQIHNNEBPQ-UHFFFAOYSA-N 269.735 3.552 30 20 CHED N#Cc1csc(/C=C/C(=O)c2ccc(C#N)c(F)c2)c1 776727536 ZIAJQARHJRWJMH-ONEGZZNKSA-N 282.299 3.527 30 20 CHED CC[C@H](C#N)OC(=O)c1c(Cl)cccc1C(F)(F)F 885416854 NIOKHNIBFOULOP-SSDOTTSWSA-N 291.656 3.818 30 20 CHED C[C@@H](CC(=O)OC(C)(C)C#N)c1c[nH]c2ccccc12 786471624 WDAAYYOBIDJEQC-NSHDSACASA-N 270.332 3.507 30 20 CHED CC(C)C=NOCc1ccc(F)cc1Br 780282753 QEEBHVGDWRUAMV-UHFFFAOYSA-N 274.133 3.747 30 20 CHED C[C@@H](OC(=O)c1ccccc1CC#N)c1ccc(C#N)cc1 782602961 BZJZHRLEQZLYFB-CYBMUJFWSA-N 290.322 3.542 30 20 CHED C=C[C@@H]1CCCCN1C(=S)N[C@H](C)c1cccs1 782408965 QVSOSRGQNOPSPQ-VXGBXAGGSA-N 280.462 3.724 30 20 CHED C#CCC1(C(=O)N2CCCC[C@@H](SC)C2)CCCCC1 788233994 ZPUHLJRTNLHFBC-OAHLLOKOSA-N 293.476 3.704 30 20 CHED CC(C)[C@H]1CCCCC1=NN[C@@H]1CCOC(C)(C)C1 780251011 RCWUBJILYALRLB-ZIAGYGMSSA-N 266.429 3.736 30 20 CHED COc1ccc(C)cc1[C@@H](C)OC(=O)c1ccc(C#N)cc1 781625368 XICKLVIBFJTTRJ-CYBMUJFWSA-N 295.338 3.793 30 20 CHED CC#CCCCC(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 784756769 PFIFNSGSTPVHIX-GFCCVEGCSA-N 292.762 3.648 30 20 CHED CC(=NOCc1ccc(F)cn1)c1cc2ccccc2o1 786735033 QSUQBCPBTFMMNH-UHFFFAOYSA-N 284.290 3.908 30 20 CHED Cc1ccc2sc(N3CCC[C@@H](C#N)C3)nc2c1C 895648978 VXRCJXVQNCCQAX-LBPRGKRZSA-N 271.389 3.653 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)[C@H]1CCCCS1 783224250 JJBCALMZVAORQM-CQSZACIVSA-N 294.803 3.520 30 20 CHED COc1ccc(NN=C(C)CCc2ccc(C)cc2)nc1 780269164 QAASXPFORCTUQU-UHFFFAOYSA-N 283.375 3.819 30 20 CHED C=C1CN(C(=O)CCCc2cc(Cl)sc2Cl)C1 898698086 BZUFYIRTIJLZFP-UHFFFAOYSA-N 290.215 3.776 30 20 CHED C=C1CC(c2noc(COC3CCC(C)CC3)n2)C1 896877829 QIHOKRCWDKAECN-UHFFFAOYSA-N 262.353 3.599 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc(OC)cc1Br 790182873 MUSSOOKSMBMIOD-SECBINFHSA-N 299.212 3.570 30 20 CHED N#Cc1cccc(OCCCCC(=O)OCC2=CCCC2)c1 790828619 GWZJHOOXKHVNSJ-UHFFFAOYSA-N 299.370 3.761 30 20 CHED N#C[C@H]1CCCN(c2ccnc3c(Cl)cccc23)C1 895649917 FVQOGLPTVVAIJW-LLVKDONJSA-N 271.751 3.628 30 20 CHED C[C@@H]1CCC[C@@H]1CNCc1ccc(N(C)CCC#N)cc1 798503179 DIDRYHANOMRSLA-NVXWUHKLSA-N 285.435 3.562 30 20 CHED CC(C)[C@H](C=NNc1ccc(Cl)nn1)c1ccccc1 794454898 AXXNXJXBAXORTC-ZDUSSCGKSA-N 288.782 3.968 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)OC(=O)c1ccc(C#N)o1 796926230 AYJCHFJFGMOAFD-AWEZNQCLSA-N 283.327 3.638 30 20 CHED Oc1ccccc1/C=N/C[C@@H]1CCCN1C1CCCCC1 797785172 VRENSBHSYZOYBR-AMRJIULGSA-N 286.419 3.608 30 20 CHED CC(C)Oc1ccccc1/C=C/C(=O)c1ccnc(F)c1 794720960 XBAIUJPZZNHFLI-BQYQJAHWSA-N 285.318 3.904 30 20 CHED CC/C=C(\C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799446741 ZLDVLRBWXWZSIT-RUDMXATFSA-N 298.264 3.752 30 20 CHED N#C[C@@H](NC(=O)[C@H](F)CC1CCCCC1)C1CCCCC1 793608337 FPNYRSUJZDJNQS-HZPDHXFCSA-N 294.414 3.884 30 20 CHED CCc1cc(C#N)ccc1OC(=O)C1(CC)CCC1 799442502 NSAAIPHMEJJBSO-UHFFFAOYSA-N 257.333 3.606 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCC1(C#N)CC1 797435089 MOVJBNAZBGDVLV-CQSZACIVSA-N 279.428 3.586 30 20 CHED CCn1cc(C(=O)/C=C/C=C\c2ccc(F)c(F)c2)cn1 794709231 XJMOGYCQQVOIFN-CIIODKQPSA-N 288.297 3.634 30 20 CHED C[C@H]1COCCC1=NNc1c(Cl)cccc1Cl 794521621 ZWSUUUAPJIPZRP-QMMMGPOBSA-N 273.163 3.818 30 20 CHED CC(C)C[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 1307584234 QKIZUNFPRKENFF-INIZCTEOSA-N 256.393 3.816 30 20 CHED CC(C)C[C@H]1CCCN(Cc2cccc(C#N)c2)C1 1307584235 QKIZUNFPRKENFF-MRXNPFEDSA-N 256.393 3.816 30 20 CHED CCC[C@H](C)Nc1nccc(Oc2cccc(C#N)c2)n1 1162189492 AGWLZDGZCVECFL-LBPRGKRZSA-N 282.347 3.741 30 20 CHED C=C(C)CCN1CCC[C@H](CN2CCCC[C@@H]2C)C1 509702517 ZQWJYLOWOXTUHD-IRXDYDNUSA-N 264.457 3.539 30 20 CHED COc1ccnc(CSCc2cccc(C#N)c2F)c1 1320280477 RAWHDUGKUWSCGG-UHFFFAOYSA-N 288.347 3.534 30 20 CHED COc1ccc(Cl)c(CNc2cc(F)cc(C#N)c2)c1 600857027 VGFZWXSEPREZOX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)cc2)[C@@H]1C#N 554260456 UFQYYMTUZCBTQC-CQSZACIVSA-N 262.784 3.854 30 20 CHED N#CC1CCN(CCc2cc(Cl)cc(Cl)c2)CC1 194455607 ZXSOFGOMUVTTMD-UHFFFAOYSA-N 283.202 3.771 30 20 CHED CN(C)c1cccc(Cl)c1C=NNc1cccc(F)c1 1320343775 CPWMNFXNMGRYKI-UHFFFAOYSA-N 291.757 3.991 30 20 CHED C=CCC[C@H](C(=O)NC(C)(C)CF)c1ccccc1 1330561266 QQEVJVGUMCLSIV-AWEZNQCLSA-N 263.356 3.601 30 20 CHED C#CCCCCCC(=O)NCc1cc(Cl)ccc1C 1335998104 YUMMDXVIULEZEG-UHFFFAOYSA-N 277.795 3.848 30 20 CHED C=C(C)CCC(=O)NCc1ccc(C(C)(F)F)cc1 1339013513 ZNOFLJNEYBQULS-UHFFFAOYSA-N 267.319 3.771 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2F)C1 1337208594 ALZHSAXKCLIMRZ-CYBMUJFWSA-N 288.366 3.596 30 20 CHED Cc1c(C#N)cccc1-c1nc(CC2CCCC2)no1 1347677057 BCGXVWAXRUUSDD-UHFFFAOYSA-N 267.332 3.649 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC(C(C)C)CC1 1343612965 OMOCJQZRYWMVPL-UHFFFAOYSA-N 298.381 3.664 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)[C@H]1C[C@@H]1C1CC1)c1cccs1 1343900822 IBZOJRCYKHYLHM-QMPIGLIWSA-N 289.400 3.928 30 20 CHED CCOc1ccc([C@H](C)OC(=O)[C@@](C)(C#N)CC)cc1 1265674743 MPEVVDJLBKHQSX-BLLLJJGKSA-N 275.348 3.629 30 20 CHED CCc1occc1C(=O)N(c1cccc(C#N)c1)C1CCC1 1262100794 AXARDYPKZYUGIU-UHFFFAOYSA-N 294.354 3.913 30 20 CHED CC[C@@H](C#N)[C@H](OC(=O)C(C)C)c1cccs1 1345102917 HSZDSQUZESXODM-JQWIXIFHSA-N 251.351 3.538 30 20 CHED CC(C)(C#N)c1ccc(C(=O)Nc2cncc(Cl)c2)cc1 1439276769 JKUDZEKSIFRQDB-UHFFFAOYSA-N 299.761 3.788 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@@H](CSC)C1)c1ccccc1 1352229304 BOLOPEBNENUTEN-GDBMZVCRSA-N 289.444 3.558 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ncccc1C 1355520132 LUNUNXKSGHCHJN-LSDHHAIUSA-N 287.407 3.591 30 20 CHED C[C@@]1(C(=O)Nc2ccc(F)c(C#N)c2)CCc2ccccc21 1358065485 LNEVSQWVSPFDAG-GOSISDBHSA-N 294.329 3.540 30 20 CHED C[C@@H]1CC=CC[C@@H]1COC(=O)C1(c2cccc(C#N)c2)CC1 1523861699 BXQQAWTUYVQZCB-GDBMZVCRSA-N 295.382 3.735 30 20 CHED N#Cc1ccc(CSc2ncnc3sccc23)s1 1458812671 LGUYWBUDSNAISM-UHFFFAOYSA-N 289.410 3.917 30 20 CHED CC[C@@H](Nc1nc(C)cc(C#N)n1)c1ccc(C)c(F)c1 1458283158 AFFAEHGLUVDLBH-OAHLLOKOSA-N 284.338 3.667 30 20 CHED N#Cc1cccc(NC(=O)c2cc3c(F)cccc3s2)n1 1529720820 NHHLVSRRERUEOH-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C=CCCC[C@H](Nc1cncc(C(=O)O)n1)c1ccccc1 1602872700 MQLZQWDWDPJTSR-AWEZNQCLSA-N 297.358 3.684 30 20 CHED CCC[C@@H](CC)C(=O)Nc1cc(C#N)c2ccccc2n1 1539551216 DVMDNESWZDHBBG-GFCCVEGCSA-N 281.359 3.871 30 20 CHED N#Cc1ccnc(COc2ccc(C(F)(F)F)cc2F)c1 1613757341 VPXKCGVMQHKFTL-UHFFFAOYSA-N 296.223 3.690 30 20 CHED Cc1ccc([C@@H]2C[C@H]2Nc2nccc(C)c2C#N)cc1 1612525424 ISYLLSRTDAEJFE-GOEBONIOSA-N 263.344 3.538 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc(C(F)F)cc1 1616146016 IDHLVEFFDBUUDZ-UHFFFAOYSA-N 278.283 3.810 30 20 CHED CCOc1ccccc1NCc1ccccc1C#N 20041347 WSBDCFRKFCKOMA-UHFFFAOYSA-N 252.317 3.569 30 20 CHED N#CCCCC[S@@](=O)[C@@H]1CCc2c(Cl)cccc21 154042622 GFJMSQBHMUFPPI-KDOFPFPSSA-N 281.808 3.770 30 20 CHED N#Cc1ccc(SCc2nsc3ccccc23)nc1 1559358653 UMTPUXYBBDIGGM-UHFFFAOYSA-N 283.381 3.855 30 20 CHED C=Cc1ccccc1NC(=O)Nc1ccc(OCC#N)cc1 1563176919 SNDGCOQGCGYHEU-UHFFFAOYSA-N 293.326 3.876 30 20 CHED Cc1nc(N2CC[C@H](C(C)(C)C)C[C@H]2C)ccc1C#N 1642746195 QPIJVOWGTKJJDB-DOMZBBRYSA-N 271.408 3.913 30 20 CHED CC(C)[C@H]1CCC[C@H](Nc2ncc(C#N)cc2F)C1 1650733240 UBCDDWSHUHHRQZ-STQMWFEESA-N 261.344 3.719 30 20 CHED CCCSc1cccc(NC(=O)c2ccc(C#N)cc2)n1 1587821100 GHBZLFFSNDITSS-UHFFFAOYSA-N 297.383 3.708 30 20 CHED N#Cc1cc2c(nc1SC1CCSCC1)CCCC2 1652581444 PJHQJMOMRKAYBA-UHFFFAOYSA-N 290.457 3.820 30 20 CHED C[C@@H](NC(=O)c1ccc(CF)cc1)c1cccc(C#N)c1 1584320464 MRFNZZFAMHWZIZ-GFCCVEGCSA-N 282.318 3.519 30 20 CHED Cc1cccc2c1N(C(=O)Nc1cccc(CC#N)c1)CC2 1661888560 VFFDUCCSFXYFHE-UHFFFAOYSA-N 291.354 3.656 30 20 CHED Cc1cc(Cl)cc(C=NNc2cccc(C(=O)O)c2)c1 1776037180 FXWFLTOVNOJYOP-UHFFFAOYSA-N 288.734 3.793 30 20 CHED O=C(O)c1cc(/C=C/C(=O)c2ccccc2F)ccc1F 1776131139 IQUZLVVPFGITMR-SOFGYWHQSA-N 288.249 3.559 30 20 CHED CC(C)[C@@H]1CCC(=NNc2ccccc2C(=O)O)C1 1776030718 IQHDTWHYNSTIMQ-LLVKDONJSA-N 260.337 3.609 30 20 CHED C=CC[C@@H]1CCCN(Cc2cc(Cl)cc(C(=O)O)c2)C1 1776165160 RBVDIKNPJJZLEA-GFCCVEGCSA-N 293.794 3.826 30 20 CHED C=CCc1ccccc1CNCc1cc(C(=O)O)ccc1F 1776188578 RPELEUHLJLXFNE-UHFFFAOYSA-N 299.345 3.542 30 20 CHED Cc1cc(C)c(NCC(=O)Nc2cccc(C#N)c2)c(C)c1 11040406 HPDXSGOMERNWAD-UHFFFAOYSA-N 293.370 3.534 30 20 CHED C=C(C)CNC(=O)C(c1ccccc1)c1ccccc1 161012963 LVJTUFDHYCBVRD-UHFFFAOYSA-N 265.356 3.511 30 20 CHED CCOc1ccccc1OCCSCCCCC#N 161888907 DWMBLJXLPKKIEQ-UHFFFAOYSA-N 279.405 3.891 30 20 CHED Cc1ccccc1CN(C)Cc1ccc(O[C@H](C)C#N)cc1 160520208 NUXZAPDCGQAOQQ-MRXNPFEDSA-N 294.398 3.918 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H](C)c1c(C)n[nH]c1C 163191072 SGFOGJRNIJFERY-ZDUSSCGKSA-N 291.439 3.725 30 20 CHED COc1cccc([C@H](C)NCc2ccc(C#N)cc2C)c1 165358461 WXULTGOGCVUPDK-AWEZNQCLSA-N 280.371 3.726 30 20 CHED COc1cccc2c1CC[C@H]2N[C@H](C)c1cccc(C#N)c1 153712438 JSHLEYDSTLBZCL-FZKQIMNGSA-N 292.382 3.905 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H]1Cc2ccccc21)c1ccccc1 155748459 BIXHEHQKAPACBX-YJBOKZPZSA-N 291.394 3.802 30 20 CHED CC#CCCOc1c(F)cc(Br)cc1C(C)=O 155975494 MMUUWAMTFNSSGA-UHFFFAOYSA-N 299.139 3.583 30 20 CHED C=CCCCCCCCCN[C@H]1CCOC[C@@H]1C 806175789 FMQBZDAJVUIDTD-HOTGVXAUSA-N 253.430 3.918 30 20 CHED Cc1cccc2c1CC[C@H]2N[C@@H](C)CC(C)(C)C#N 925370034 KDFPVPUCOLJRTD-XJKSGUPXSA-N 256.393 3.900 30 20 CHED N#Cc1cc(F)ccc1NCCSc1ccccc1 111026596 NYXIXEMCYZKJSX-UHFFFAOYSA-N 272.348 3.902 30 20 CHED CN(Cc1ccccc1Cl)c1ccc(F)cc1C#N 111036121 XMWWBLGDSWMQSQ-UHFFFAOYSA-N 274.726 3.987 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]2CCC[C@H]21 229150421 UMPHSFFQRDJZKK-DOTOQJQBSA-N 254.377 3.631 30 20 CHED C[C@H](NCc1ccc(F)c(C#N)c1)C1CCCCC1 230614565 ILVKDBGPWJEWJQ-LBPRGKRZSA-N 260.356 3.756 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CS1 125431102 XVUHNCRRQKTKSP-GZMMTYOYSA-N 286.322 3.883 30 20 CHED C[C@H](N[C@H](C)Cc1cccs1)c1cccc(C#N)c1 37291801 QOGUQBZDHWBUGB-OLZOCXBDSA-N 270.401 3.902 30 20 CHED C[C@@H]1CC[C@@H](C)N1Cc1ccc(Br)cc1C#N 347041881 ZSQSSLRKGLCDSB-GHMZBOCLSA-N 293.208 3.694 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2CCCCCC2)c1 308194145 LKGLROFNBCBPKX-UHFFFAOYSA-N 256.349 3.776 30 20 CHED C=CCCCCCCNCc1ccc(C#N)c(OC)c1 312818262 SKBOYGZBVMQORQ-UHFFFAOYSA-N 272.392 3.793 30 20 CHED N#Cc1ccc(F)cc1CSc1cccc([N+](=O)[O-])c1 313560778 FNBCGRSBYOKDRB-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cc2ccccc2s1 321490769 SPTFVMVVHTXLJW-JSGCOSHPSA-N 275.417 3.879 30 20 CHED CCN(CCC(F)(F)F)Cc1ccc(C#N)cc1Cl 615224160 SCTWYRPOGISATC-UHFFFAOYSA-N 290.716 3.986 30 20 CHED C[C@@H]1CCN(Cc2ccc(CC#N)cc2)C[C@H](C)C1 543140243 QKCQDGFAGBSLEE-HUUCEWRRSA-N 256.393 3.621 30 20 CHED N#Cc1cnc(Oc2cc(F)ccc2F)c(Cl)c1 334273821 LIFJWEYSWYRWLJ-UHFFFAOYSA-N 266.634 3.677 30 20 CHED CC1(C)CCCCN(Cc2cccc(C#N)c2F)C1 446062358 TXTRMPKPXRCGAS-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CC(C)CSCCN[C@@H](C)c1cccc(C#N)c1 341776414 NACILIPFUITHAM-ZDUSSCGKSA-N 262.422 3.598 30 20 CHED Cc1ccc(C)c([S@@](=O)Cc2ccc(CC#N)cc2)c1 342133049 JJPDADHRSYQBOL-FQEVSTJZSA-N 283.396 3.677 30 20 CHED C=CCCOC(=O)CSc1cc(C)ccc1C 729073443 ZYPOQKHTTCCBLP-UHFFFAOYSA-N 250.363 3.515 30 20 CHED COc1cc(C=NOCc2ccccc2)ccc1C 773034919 NRPBTIACSOLJTG-UHFFFAOYSA-N 255.317 3.554 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=S)NCC(C)C 794995135 LUIADTIGYMSHOI-UHFFFAOYSA-N 276.449 3.595 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccsc1 61075211 RLMCVWGXNQMMBG-UHFFFAOYSA-N 263.387 3.638 30 20 CHED Cc1cc(C)c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)o1 175122952 XCGWTXFNCMGFKG-LLVKDONJSA-N 280.283 3.528 30 20 CHED CC(C)(C#N)CCCO/N=C(\N)C1CCCCCC1 179005163 AUMKBVZFNPUROU-UHFFFAOYSA-N 265.401 3.576 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(O[C@@H](C)CC)cc1 176616012 CJTJILSMASCYQH-STQMWFEESA-N 261.365 3.558 30 20 CHED C#CCCCNC(=O)c1cc(C(C)C)nc2ccccc12 172923581 OXYPBLBNCIMPHV-UHFFFAOYSA-N 280.371 3.501 30 20 CHED Cc1ccc(-c2ccc(C(=O)N[C@@H](C)C#N)c(F)c2)cc1C 107233279 GSAUPUPVLDFKGT-ZDUSSCGKSA-N 296.345 3.751 30 20 CHED N#Cc1ccc(NC(=O)N2CCc3ccc(Cl)cc32)cc1 58514182 UPKIDFGHVJKBDM-UHFFFAOYSA-N 297.745 3.806 30 20 CHED CC1CCC(C)(NC(=O)Nc2ccc(CC#N)cc2)CC1 104985876 YHZCNTPSUZMDGH-UHFFFAOYSA-N 285.391 3.843 30 20 CHED C=CCN(CCCCCOC)Cc1cccs1 103225538 XWOXXFXAFVZWGW-UHFFFAOYSA-N 253.411 3.553 30 20 CHED C#Cc1cccc(N(C(=O)CC[C@@H]2CCCCO2)C(C)C)c1 110283393 UHCDDESGSZGQDX-SFHVURJKSA-N 299.414 3.759 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cscc1C 176239553 CTTGEPHDJHHRNS-UHFFFAOYSA-N 285.412 3.927 30 20 CHED N#Cc1ccc(Br)cc1Oc1nccs1 306340888 ZZDVLOMREVYUNC-UHFFFAOYSA-N 281.134 3.570 30 20 CHED Cc1ccc(C#N)cc1NCC(=O)Nc1c(C)cccc1C 63890068 CKSUDWDSQJBHBN-UHFFFAOYSA-N 293.370 3.534 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1 63750287 UBPNORVIFSWVAT-UHFFFAOYSA-N 289.382 3.841 30 20 CHED CCC[C@H](CN1CCC(C#N)CC1)c1ccccc1 179924777 CKJUYTYYMWIIRN-QGZVFWFLSA-N 256.393 3.806 30 20 CHED C=CCCC(=O)NCc1sc(-c2ccccc2)nc1C 66553546 BQQVBVWVSWHPIN-UHFFFAOYSA-N 286.400 3.701 30 20 CHED Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2C#N)c(C)c1 65280864 NIDILTPMGFFCIC-UHFFFAOYSA-N 295.342 3.738 30 20 CHED CC(C)[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 172087935 IXWAVUYJOLNTDA-WCQYABFASA-N 299.399 3.673 30 20 CHED N#Cc1ccc(NCCOc2cccc(Cl)c2)cc1 301080835 NYQCJWYRNRRTMR-UHFFFAOYSA-N 272.735 3.703 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NC[C@@H](O)CC(C)C)c2c1 301392576 BTRKTHNDOJUZJZ-HNNXBMFYSA-N 297.402 3.542 30 20 CHED O=C(/C=C/c1cncs1)c1nc2ccccc2s1 129972309 FAHMKWZRIXHRPO-AATRIKPKSA-N 272.354 3.649 30 20 CHED COc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1 123205448 ORMHOTPDJVJVHR-UHFFFAOYSA-N 294.398 3.977 30 20 CHED C=CCCC[C@@H](C)N=c1ccc(C(F)(F)F)c(C#N)[nH]1 409731684 KPPJLPVPWRGZDJ-SNVBAGLBSA-N 283.297 3.551 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1c1ccc(C#N)cc1 301310356 ZITFXLGJWOANRU-WMLDXEAASA-N 262.356 3.941 30 20 CHED N#Cc1ccc(Oc2c(F)cc([N+](=O)[O-])cc2F)c(F)c1 301802878 UQJKCRMZGCEHTD-UHFFFAOYSA-N 294.188 3.676 30 20 CHED Cc1cc(Cl)ccc1C(=O)N(C)Cc1cccc(C#N)c1 124592831 RPKYXJLRPCULCB-UHFFFAOYSA-N 298.773 3.792 30 20 CHED CCCN(CC#N)Cc1cc(-c2ccc(Cl)cc2)no1 123011066 FLARNRMHNTXCEU-UHFFFAOYSA-N 289.766 3.731 30 20 CHED C=CCOc1ccccc1C(=O)NCc1ccc(F)c(C)c1 30616285 HGFIYUYRUIYHPX-UHFFFAOYSA-N 299.345 3.629 30 20 CHED N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCCC2)cc1 301067752 KIXCXJDCVNOETI-KRWDZBQOSA-N 295.386 3.790 30 20 CHED C=C(C)CN(CC)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 120113940 RZDDCWHCJXVMBF-INIZCTEOSA-N 288.435 3.837 30 20 CHED C=CC[C@H](C(=O)N(C)CCC1CC1)c1ccccc1 188741226 JWYZYCIAGCEWMH-INIZCTEOSA-N 257.377 3.605 30 20 CHED CC[C@H](CC#N)NC(=O)c1c(C)[nH]c2ccc(Cl)cc12 183812714 JTFWPSIIUDIAPY-LLVKDONJSA-N 289.766 3.552 30 20 CHED CC(C)(CCC#N)CNCCc1ccc(Cl)s1 174276491 WLASSRBWMFLNQI-UHFFFAOYSA-N 270.829 3.864 30 20 CHED CCC(CC)[C@@H](NC(=O)NC[C@@H](C)C#N)c1ccccc1 182564928 UQTSRNVZEPMXNE-XJKSGUPXSA-N 287.407 3.623 30 20 CHED C=CCOCCCC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 416287768 KGQVVLRKOYPFAM-HUUCEWRRSA-N 281.440 3.642 30 20 CHED CSc1ccccc1C(=O)N(C)Cc1ccc(C#N)cc1 32614766 IQONCMZHFRQNGQ-UHFFFAOYSA-N 296.395 3.552 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCC(C)(C)C1 411057956 BPHDGAPADCKKIJ-ZDUSSCGKSA-N 284.359 3.526 30 20 CHED N#CCCN(Cc1ccco1)Cc1cccc(Cl)c1F 159620521 KRUBAJXWMFWHFD-UHFFFAOYSA-N 292.741 3.988 30 20 CHED CCC(CC)[C@@H]1C[C@@H](NCc2cccc(C#N)c2)CCO1 180373554 PKUJROKFTJOFBF-ROUUACIJSA-N 286.419 3.632 30 20 CHED N#C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)C1CCCCC1 315052707 MOCUJVPLUAVUSO-MSOLQXFVSA-N 296.414 3.695 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCc1cc2ccccc2o1 78998334 MUAVTTJPAMZQHO-UHFFFAOYSA-N 293.282 3.825 30 20 CHED COCCOc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1 78995642 BJFBOZCFVRYCMI-AWEZNQCLSA-N 296.370 3.757 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 127165798 DBEGKVMNRZZSFS-JTQLQIEISA-N 278.768 3.519 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(F)cc2)cnn1C(C)(C)C 188871946 DWOLFJCSVAVSSR-JXMROGBWSA-N 286.350 3.982 30 20 CHED C=CCOCCCC(=O)Nc1cc(C)c(Cl)c(C)c1 508051915 GEZXOBBGBFIMGU-UHFFFAOYSA-N 281.783 3.878 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(O)cc1)O2 39842642 SNOJBFONPRKSDO-SXGWCWSVSA-N 266.296 3.625 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 413698366 GSCRLUYOTOAOBS-DZGCQCFKSA-N 292.810 3.804 30 20 CHED C=CCC1(C(=O)Nc2cnn(Cc3ccccc3)c2)CCC1 189115133 PFFGQAPQADKDMM-UHFFFAOYSA-N 295.386 3.616 30 20 CHED CC1(C)C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2 506835838 DZNDSDLESNTBNH-GFCCVEGCSA-N 288.416 3.873 30 20 CHED C[C@H](CN[C@H]1CCC[C@H](C#N)C1)Oc1cccc(Cl)c1 185846817 CFCGZYJLWJMPCR-IPYPFGDCSA-N 292.810 3.779 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cnc(C2CC2)nc1 414541434 VZEQUHIOPYUSCP-GOSISDBHSA-N 293.414 3.631 30 20 CHED N#C[C@H]1CCC[C@H](NCc2ccc(F)c(Cl)c2)C1 185807538 VOXPZSNKBDDKKW-JQWIXIFHSA-N 266.747 3.651 30 20 CHED CCc1nc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cs1 181738783 FENXFOUFXFFMBC-RYUDHWBXSA-N 285.416 3.989 30 20 CHED C[C@@H]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 180783732 RZDXOUQOIRDXKM-CPUCHLNUSA-N 296.414 3.796 30 20 CHED C=CCCCCCN(C)Cn1nc(C(C)C)n(C)c1=S 131398222 LZYXFPOTVQKRDD-UHFFFAOYSA-N 296.484 3.710 30 20 CHED CCc1nc2c(s1)[C@@H](NCC(C)(C)CC#N)CCC2 414165746 MRCDGBUQRSQEAF-NSHDSACASA-N 277.437 3.612 30 20 CHED C=CCN(C(=O)c1cc2ccccn2c1)c1ccccc1 74044143 ROWFESKGFMVPFD-UHFFFAOYSA-N 276.339 3.772 30 20 CHED C=CCN(Cc1cccs1)Cc1c[nH]nc1C(C)(C)C 506005534 YMQQVIPLXPCIBQ-UHFFFAOYSA-N 289.448 3.957 30 20 CHED N#Cc1ccc(OCc2ncc(-c3ccccc3F)o2)cc1 133217556 ITILMCMBARNTJD-UHFFFAOYSA-N 294.285 3.931 30 20 CHED C=CCCC(=O)Nc1ccc(Br)cc1CC 130655719 WFNJNZNDXNDHKA-UHFFFAOYSA-N 282.181 3.916 30 20 CHED COc1cc(C#N)ccc1CSC[C@H](C)C(F)(F)F 500832782 YCVIUZVDQFHSQC-VIFPVBQESA-N 289.322 3.998 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cccnc2OC2CCCC2)C1 192664120 UAKJZHBUWHWNDX-ZBFHGGJFSA-N 299.418 3.575 30 20 CHED N#CCSCC(=O)Nc1cccc(Oc2ccccc2)c1 41750295 ANLXSMAYWSURTA-UHFFFAOYSA-N 298.367 3.674 30 20 CHED Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc(C#N)cc2)c1 84726342 KVOZELHUHABRCH-LBPRGKRZSA-N 281.315 3.948 30 20 CHED CO[C@@H](C)c1nc(CNc2cc(C#N)ccc2C)cs1 177507741 ABUMYZOSAAWRKD-NSHDSACASA-N 287.388 3.643 30 20 CHED N#Cc1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)cc1 45198612 JSAZFFGMZRYMSV-UHFFFAOYSA-N 294.329 3.502 30 20 CHED C[C@H]1CC[C@H](C)N1C(O)=Nc1cn(C)nc1-c1ccccc1 329533059 KDIPGTZYNWSXBR-STQMWFEESA-N 298.390 3.505 30 20 CHED Cc1cc(N/C(O)=N/[C@@H]2CCCCC23CCCC3)n(C)n1 329595931 IJDQGYCJRCPLGW-CYBMUJFWSA-N 290.411 3.557 30 20 CHED CC(C)O[C@@H]1C[C@H](/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2)C1(C)C 329779907 RJDKQXKAJURTNZ-RJZRQDKASA-N 295.423 3.540 30 20 CHED C[C@H]1C[C@H](C)CN(c2ccc(Br)cc2C#N)C1 227634951 BHCUPGPJYJJTQJ-QWRGUYRKSA-N 293.208 3.803 30 20 CHED CCN(CC#N)Cc1cccc(Oc2ccccc2)c1 511524904 UYOLFIDCXJDINH-UHFFFAOYSA-N 266.344 3.824 30 20 CHED C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[C@H](C#N)C1 424315671 AIRLTQNJRVUFKT-UHIISALHSA-N 280.774 3.692 30 20 CHED C=CCC(C)(C)c1nc([C@H](OC)c2ccc(F)cc2)no1 426418285 WNJZONFOXBNRQC-CYBMUJFWSA-N 290.338 3.798 30 20 CHED Cc1ccc(N(C)Cc2cc(C#N)ccc2F)c(C)c1 48346112 XIJMJZOBZXGNDC-UHFFFAOYSA-N 268.335 3.951 30 20 CHED CCCCCCCC[S@](=O)Cc1cc(C)no1 190733796 JNVLXBBNCPGMBY-KRWDZBQOSA-N 257.399 3.592 30 20 CHED C[C@@H]1CC[C@H](/N=C(/O)Cc2ccc3c[nH]nc3c2)[C@H](C)C1 329271280 HZJBIBLHIHKRCK-JMSVASOKSA-N 285.391 3.887 30 20 CHED CCSCC[C@@H](C)Nc1snc(Cl)c1C#N 269392180 XPSGZAILGKNJOG-SSDOTTSWSA-N 275.830 3.612 30 20 CHED CC[C@@H]1CCC[C@H](/N=C(/O)c2cncnc2C(C)C)C1 330810033 JHIAQNGIMYFWFP-OLZOCXBDSA-N 275.396 3.873 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2ccc3sccc3c2)C1 334431573 WFRYXYLYHBMSJN-BXUZGUMPSA-N 256.374 3.683 30 20 CHED C=CCOc1cccc(CN[C@H]2c3ccccc3O[C@H]2C)c1 516209666 HBUBGGXSQQUNGA-IFXJQAMLSA-N 295.382 3.863 30 20 CHED CC1(C#N)CCC(N[C@H]2CCO[C@H](C(C)(C)C)C2)CC1 336219822 YYTFWSRLIQHYQP-GWUWNPHMSA-N 278.440 3.642 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@H](CC(F)(F)F)C1 421954339 GLYJCILHSYQFKC-DGCLKSJQSA-N 277.330 3.780 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc[nH]1 194665963 YRSPUCHMGJRRRV-UHFFFAOYSA-N 250.386 3.837 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)NCC(C)(C)CCC#N)C1CC1 513113558 PFEWOAXODUIHEP-KGLIPLIRSA-N 293.455 3.925 30 20 CHED CC(C)c1ncsc1/C(O)=N/C[C@@H](O)C1CCCCC1 331319882 KWRBHOOJBHZPDX-GFCCVEGCSA-N 296.436 3.512 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 333556008 NKAPRSZEAVNYJA-KEYYUXOJSA-N 274.408 3.545 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cc(CCC)nn1C 91092353 CLXPHPBZMUXTLJ-UHFFFAOYSA-N 292.427 3.583 30 20 CHED C[C@@]1(c2ccccc2)CC[C@H](N[C@@H]2CC[C@H](C#N)C2)C1 424334044 VGOIZFVZVYWLCE-XOYOTBSWSA-N 268.404 3.779 30 20 CHED Cc1cc([C@@H](C)NCc2cc(C#N)cs2)c(C)o1 93492562 FSHFMDYKRVVXSG-SNVBAGLBSA-N 260.362 3.680 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 331410535 FXXNMCMKHARGDZ-UONOGXRCSA-N 287.407 3.530 30 20 CHED CS[C@H]1CC[C@H](Nc2ccc3cc(C#N)ccc3n2)C1 92917578 FXZRTHRSILWDFA-KBPBESRZSA-N 283.400 3.802 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CCCN2 236653947 RODDVSWEWUYWPZ-UHFFFAOYSA-N 270.376 3.752 30 20 CHED CCOc1ccccc1-c1noc(-c2ccc(C#N)s2)n1 230995839 ATWQCCFIYRHYKN-UHFFFAOYSA-N 297.339 3.735 30 20 CHED C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCCC1 333522346 HETULBCOUJUWEW-DYVFJYSZSA-N 274.408 3.545 30 20 CHED CC(C)OC(=O)c1ccc(COc2ccccc2C#N)cc1 439832546 XNVRJHRBLQRAEX-UHFFFAOYSA-N 295.338 3.702 30 20 CHED N#Cc1ccn(Cc2cc(-c3ccc(Cl)cc3)no2)c1 339197757 SBJQCNMEMUVTRA-UHFFFAOYSA-N 283.718 3.716 30 20 CHED Cc1cc(/C(O)=N/[C@]2(C)CC=CCC2)cc([N+](=O)[O-])c1 331353445 OZZSEVKWUQYJAU-OAHLLOKOSA-N 274.320 3.707 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N(C)C1CCC(C(C)C)CC1 433032861 STBYBIXXBRFCKS-HTWSVDAQSA-N 295.467 3.888 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2C)C1 432281164 BYXPGECKQBEQQP-UKRRQHHQSA-N 285.391 3.957 30 20 CHED C=CCCN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 524766646 HHUXDZJGUPNPFO-SFHVURJKSA-N 273.420 3.595 30 20 CHED C[C@H](C#N)CN[C@@H]1CCC[C@@H](c2ccccc2)CC1 529544255 XASRIMNOVMYNBN-DJIMGWMZSA-N 256.393 3.852 30 20 CHED N#CCc1cccc(NC(=O)CC2(c3ccccc3)CC2)c1 529470741 WWLWOTYPXUZIQT-UHFFFAOYSA-N 290.366 3.813 30 20 CHED C=CCOCCCC(=O)N1CCCC(CC)(CC)CC1 347993263 WHYZOFMKMWVLKN-UHFFFAOYSA-N 281.440 3.788 30 20 CHED CCOc1cc(C)ccc1CNc1snc(C)c1C#N 342502672 BTVRFXRLIJFYFA-UHFFFAOYSA-N 287.388 3.642 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N[C@H]1CC=CCC1 346439802 ICYTZSAOVXVTNO-LBPRGKRZSA-N 285.297 3.905 30 20 CHED C/C=C/COc1ccc(CC[C@H](C)NCCCC#N)cc1 346835171 ONEGBAHXRUCBDX-CWDCEQMOSA-N 286.419 3.856 30 20 CHED Cc1cc(N2CCC(F)(C#N)CC2)c2cccc(F)c2n1 343220739 JCBWCCZRXNJFPZ-UHFFFAOYSA-N 287.313 3.514 30 20 CHED CN(CCOc1cccc2ccccc12)CC(C)(C)C#N 433299954 CTAMJGSVOHGRHL-UHFFFAOYSA-N 282.387 3.700 30 20 CHED CN(C(=O)CC1(c2ccccc2)CC1)c1cccc(C#N)c1 528195500 DBSKDZRICGWXEB-UHFFFAOYSA-N 290.366 3.643 30 20 CHED C[C@H](N[C@@H](C#N)Cc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 604553117 LBVHRGKCEYUZRH-OGCZYDBJSA-N 268.404 3.536 30 20 CHED C=CCN(CC1CCCCC1)[C@H](CCCC)C(=O)O 521257452 JWWSTBGIKKPGIB-OAHLLOKOSA-N 267.413 3.698 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2cccc(OC(C)C)c2)n1 346831000 LURNMXKVLAWALK-UHFFFAOYSA-N 295.386 3.685 30 20 CHED CCN(C[C@H](C)CCC#N)[C@@H](C)Cc1ccc(OC)cc1 602442193 UCNKQPJYCDHAEY-CVEARBPZSA-N 288.435 3.888 30 20 CHED C=CCCCSCC(=O)Nc1ccc(Cl)cc1 609805038 NKOZMYREULJJSA-UHFFFAOYSA-N 269.797 3.978 30 20 CHED C=CCCCCNC(=O)c1cc(C(C)C)c(O)cc1C 436641783 DGDTUQFDAHRHLL-UHFFFAOYSA-N 275.392 3.910 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(Cl)ccc1N(C)C 439513859 BLJAWQDTVTUIJO-GFCCVEGCSA-N 295.814 3.882 30 20 CHED N#Cc1ccc(/C=C\c2cc(F)c(F)c(F)c2)nc1 254987201 IWMZMEWIOQJEGO-IWQZZHSRSA-N 260.218 3.541 30 20 CHED CCCCN1CCCC[C@H]1CNCC(C)(C)CCC#N 344187598 IBZNSTACLLLEEX-INIZCTEOSA-N 279.472 3.561 30 20 CHED COc1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)CCS2 430763985 QXEAZAVMDUVPCQ-AWEZNQCLSA-N 288.416 3.516 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1nc2c(s1)CCC2 345306984 RKDHAGUMEGOZHE-NEPJUHHUSA-N 297.427 3.915 30 20 CHED CCc1ccc(C=NOCc2ccccc2[N+](=O)[O-])cc1 254954280 JQARWRBBNSBRQF-UHFFFAOYSA-N 284.315 3.708 30 20 CHED CC(C)[C@H](COCc1ccccc1)NCC1(CC#N)CC1 430737522 IKYZPWAGZLNESW-KRWDZBQOSA-N 286.419 3.511 30 20 CHED N#CCCCNCC1=Cc2cc(Cl)cc(Cl)c2OC1 344359671 PYYXSKDRKBQPEN-UHFFFAOYSA-N 297.185 3.663 30 20 CHED C[C@H](CCC#N)CN1CCC(CC(F)(F)F)CC1 602650260 DPSWBPWYCZTRRG-LLVKDONJSA-N 262.319 3.591 30 20 CHED CCSCc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 608825015 VPYXTVGBYCAYGJ-OAHLLOKOSA-N 290.432 3.608 30 20 CHED CCC(CC)c1cc(C(=O)NCC(C)(C)CCC#N)on1 345897624 BXFXVWIKIIFTHO-UHFFFAOYSA-N 291.395 3.638 30 20 CHED CCc1cccc(CC)c1-n1ccnc1SCC#N 522852812 GUZLFTSFZXYUPM-UHFFFAOYSA-N 271.389 3.613 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cccc(C(F)(F)F)c1 54178301 LTAMUOODTQDJAF-SNVBAGLBSA-N 285.269 3.519 30 20 CHED FC(F)Oc1cccc(C=NNc2ccccc2)c1 254304085 VZACPDUHDMYSTG-UHFFFAOYSA-N 262.259 3.734 30 20 CHED C=C(CC)CN[C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 449736993 XQFCRSPPXOENIN-CYBMUJFWSA-N 284.403 3.590 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)C1CCC(F)(F)CC1 449547373 HYVUXVXYHZEKIG-BNOWGMLFSA-N 273.367 3.524 30 20 CHED C=CCC1(C(=O)Nc2scnc2C2CC2)CCC1 359902401 PMMVTMMINUDVBZ-UHFFFAOYSA-N 262.378 3.705 30 20 CHED Cc1cc(Cl)cc2c1oc(=O)n2CCCC(C)(C)C#N 601924057 WLUUMJXDNXFRJY-UHFFFAOYSA-N 292.766 3.886 30 20 CHED C[C@@H](c1ccc(Cl)c(Cl)c1)n1cc(CCC#N)nn1 603212560 BCZYBNXYGJGKQN-VIFPVBQESA-N 295.173 3.650 30 20 CHED CC(C)N(C)C[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 353569370 CCUKLKWHYWEDIL-KXBFYZLASA-N 299.462 3.644 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCCCC(C)(C)C 532891745 TVMZUJZKESLHHI-UHFFFAOYSA-N 273.380 3.815 30 20 CHED C=C(CC)CN1CC[C@@H](C(=O)OCC)c2ccccc21 444730098 NNEIXOWQTJNTTH-OAHLLOKOSA-N 273.376 3.510 30 20 CHED C=CCNC(=O)[C@@H](C)N[C@H](CC1CCCCC1)C(C)(C)C 604414403 PGIBVDOUZGBCRM-GDBMZVCRSA-N 294.483 3.652 30 20 CHED CC[C@](C)(NC[C@H](C)CCC#N)c1ccc(F)cc1 602726713 AFVAVGFIDMZMDB-CJNGLKHVSA-N 262.372 3.980 30 20 CHED C[C@@H](c1cc(Cl)ccc1Cl)n1cc(CCC#N)nn1 603245548 VRVFUHXMYYIDIP-VIFPVBQESA-N 295.173 3.650 30 20 CHED C=CCCc1nc(-c2ccc(Br)cc2C)no1 445462826 GKDYMYZQVWGLBO-UHFFFAOYSA-N 293.164 3.926 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@@H](CC(C)C)C1)OCC 533696244 RIGXOHBSZMJFQZ-JKSUJKDBSA-N 281.440 3.642 30 20 CHED C[C@@H](CCC#N)N1CCC(Cc2cccc(F)c2)CC1 351644251 JZVHYYBOSXAOIP-AWEZNQCLSA-N 274.383 3.772 30 20 CHED C=CCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 538957492 GBBZLRBJFDRPGW-UHFFFAOYSA-N 279.305 3.707 30 20 CHED CC(C)N(CCN(C)[C@H](C)c1ccc(C#N)cc1)C(C)C 356385663 MKXIGUUMRUWPBN-MRXNPFEDSA-N 287.451 3.670 30 20 CHED C=CCCOCCCCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 539366822 SYGKGBUJTOLOAL-LTIDMASMSA-N 293.451 3.690 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Nc1cc(C)c(O)c(C)c1 443574221 BVZBFCKZQQUYQE-UHFFFAOYSA-N 295.342 3.833 30 20 CHED CC1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 448454570 MCNDDMZLKATBPU-UHFFFAOYSA-N 297.320 3.669 30 20 CHED CC[C@H](NC[C@H](OC)c1ccccc1)c1ccc(C#N)cc1 447559832 BDRIVUXKSGXMBM-OALUTQOASA-N 294.398 3.987 30 20 CHED C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CCC#N 357555615 SYCVHGBVODEZEV-SECBINFHSA-N 269.175 3.826 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1 354371988 QOPNMTMYIMWLNK-LRDDRELGSA-N 288.366 3.738 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)OCC 535151235 NMUPTPBTNLTESQ-ZDUSSCGKSA-N 285.746 3.789 30 20 CHED CCCCCCCCOCC(=O)N(C)c1ncccc1F 269381607 JNICAZIBGXAYOA-UHFFFAOYSA-N 296.386 3.561 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c(F)c1 532990232 TYFKQCAROKBUBS-MAPUTHEBSA-N 284.378 3.612 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@@H]1c1nc2ccccc2n1C 618887221 MHANKASQMQVERH-WMLDXEAASA-N 296.418 3.650 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)[C@H](C)C1 610351384 RNMFFPTZQGZPKW-WBOJAVRRSA-N 299.418 3.743 30 20 CHED CC1(C#N)CCC(NCc2ccc(OC(F)F)cc2)CC1 449058567 KIVQXPXOIREVFN-UHFFFAOYSA-N 294.345 3.850 30 20 CHED C[C@H](Cc1ccsc1)N=c1ccc2cc(C#N)ccc2[nH]1 537874409 CTHCQRMEXRXLBB-GFCCVEGCSA-N 293.395 3.633 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1C#N 531192043 UVRVOOXOQPAXNS-CQSZACIVSA-N 296.345 3.905 30 20 CHED CCC[C@@H](C)N(C)C(=O)NCc1ccc(C#N)c(Cl)c1 619828323 PQZKFNTVNBWXLS-LLVKDONJSA-N 293.798 3.542 30 20 CHED CCC(CC)N(Cc1cccc(C#N)c1F)C1CC1 539233377 COOYDYFXKJJICV-UHFFFAOYSA-N 260.356 3.850 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1C 267792557 XUKYAZLKYLDDRE-CHWSQXEVSA-N 285.391 3.607 30 20 CHED C=CCN(C(=O)COc1ccccc1C(C)(C)C)C1CC1 539032401 FTDNGFCCQLLVBT-UHFFFAOYSA-N 287.403 3.540 30 20 CHED C=CC(C)(C)CNC(=O)CC[C@H](C)c1ccccc1 452772449 FHEBPBXBDMTHNQ-AWEZNQCLSA-N 259.393 3.899 30 20 CHED C=CCCC[C@H](C)NC(=O)c1nc2ccccc2s1 539437906 SHODAQURHOGPEV-NSHDSACASA-N 274.389 3.771 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 369295443 WIALHABQSAHWIH-ZBFHGGJFSA-N 290.382 3.679 30 20 CHED C=CCCc1noc(-c2ccc(OCC)c(OCC)c2)n1 453244178 CJWZJKHUJXWIMS-UHFFFAOYSA-N 288.347 3.653 30 20 CHED C=CCC1(C(=O)N(C)c2nc3ccccc3o2)CCCC1 459920934 NSXNUFGYPACUDE-UHFFFAOYSA-N 284.359 3.927 30 20 CHED C=CCCCC(=O)NCCc1ccc(C(C)C)cc1 530643731 BNCSYQOWJXIEFZ-UHFFFAOYSA-N 259.393 3.825 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)NCC(C)(C)C#N)cc1 611620510 RZFDPKUXUSKCQN-GFCCVEGCSA-N 289.379 3.535 30 20 CHED Cc1nsc(N2C[C@@H](C)c3ccccc32)c1C#N 360949882 STVJCHSAHOGACW-SECBINFHSA-N 255.346 3.578 30 20 CHED CC(C)(C#N)CNC(=O)C(C)(C)Cc1cccc(Cl)c1 611696859 PDNKGLGNFFRTOI-UHFFFAOYSA-N 292.810 3.575 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(-n2nc(C)cc2C)c1 276361346 VVJTXEBBBLJMQP-UHFFFAOYSA-N 298.390 3.529 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 618807436 YTZZUYFIYCJDPR-YJYMSZOUSA-N 287.366 3.768 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2ccccc2CC1 456320873 ZJHNBOVPBOIPOQ-UHFFFAOYSA-N 283.415 3.772 30 20 CHED C=CCc1cc(CNCC2CC(C)(C)C2)cc(OC)c1O 548700391 KGCNOPPYVKVCIX-UHFFFAOYSA-N 289.419 3.655 30 20 CHED C=CCOc1ccc(C(=O)N(CC2CC2)C(C)C)cc1 611835904 IPGWTRRNYKDVPM-UHFFFAOYSA-N 273.376 3.512 30 20 CHED C=CCSc1ccccc1C(=O)N1CCC=C(F)C1 362409815 GWZGJXAUOYCLNT-UHFFFAOYSA-N 277.364 3.664 30 20 CHED C=C(CC)CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1 456829180 NMIWZBXPWKHUPT-UHFFFAOYSA-N 298.386 3.665 30 20 CHED C[C@H]1C[C@H](C(=O)NC2(c3cccc(C#N)c3)CC2)CC[C@H]1C 450305620 XBVKJEMRUICZML-IJEWVQPXSA-N 296.414 3.736 30 20 CHED C#CCCCSc1nnc(-c2ccc(C)cc2)o1 270921029 ZLLSOTHJIBLOCY-UHFFFAOYSA-N 258.346 3.551 30 20 CHED C=CC[C@@H](CC)NC(=O)c1nc2ccccc2nc1C1CC1 451627820 ZBQFKYDTEROHPI-CYBMUJFWSA-N 295.386 3.592 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)C1CC(C)(C)C1 458629996 ZCXKIUYRHRELTR-GFCCVEGCSA-N 252.402 3.561 30 20 CHED C=CCC[C@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 457994126 NXZQCWXEBCMGOG-INIZCTEOSA-N 284.403 3.792 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 276902551 JEZLKYQDVOSJGX-WMLDXEAASA-N 275.367 3.744 30 20 CHED C=CC[C@H]1N(Cc2cnc(C3CC3)nc2)CCCC1(C)C 459511695 JDCPYBSNNWNDKH-MRXNPFEDSA-N 285.435 3.921 30 20 CHED CSc1ccc(F)cc1CN[C@@H]1CCC[C@@H](C#N)C1 361441897 XJYOQIJZOBUPHN-BXUZGUMPSA-N 278.396 3.720 30 20 CHED C=CCSc1ccccc1C(=O)NCC(=C)CC 456812470 MXIBBKVBNCXJNQ-UHFFFAOYSA-N 261.390 3.661 30 20 CHED C=CCSc1ccccc1C(=O)N(C)c1nccs1 548259078 KCFYOBFHNVJEGP-UHFFFAOYSA-N 290.413 3.698 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(C2CCC2)cc1 279003892 UDUBYERFPRXPJG-AWEZNQCLSA-N 271.364 3.768 30 20 CHED C[C@H]1CC[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 540646541 JSWAFHVIIBLTEH-QWHCGFSZSA-N 270.376 3.862 30 20 CHED Cc1ccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)s1 279782888 BZXWPLNYLBTTLN-UHFFFAOYSA-N 298.411 3.788 30 20 CHED C=CCCC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C 374258964 QPWURLHXJBGCBT-GDBMZVCRSA-N 257.377 3.747 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@H](C)c1ccccc1 542536491 HMABKAFMZBNDPL-GJZGRUSLSA-N 274.408 3.834 30 20 CHED CC#CCCNC(=O)Nc1sc(-c2ccccc2)nc1C 544636058 HOCAGZVQPCMJIE-UHFFFAOYSA-N 299.399 3.653 30 20 CHED CCC[C@H](NCc1cccc(C#N)c1)[C@H](O)c1ccccc1 279730307 VXIGAOLIRKRYIW-RBUKOAKNSA-N 294.398 3.550 30 20 CHED C=CCCOCCCCC(=O)N1CCC[C@@H]1CC(C)C 540495309 TVOLOZLQETUXBR-MRXNPFEDSA-N 281.440 3.787 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 469901637 MNZOKRYFLNYRPE-KBPBESRZSA-N 294.354 3.925 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1CSC 276083386 LRKAAFVMBQCEEC-UHFFFAOYSA-N 264.394 3.589 30 20 CHED C=C[C@H](C)NC(=O)c1csc(-c2ccc(C)cc2C)n1 465112463 OYXOPDONGSMBPY-LBPRGKRZSA-N 286.400 3.731 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(-c2nnc(C)o2)c1 620858549 JAMXPQKVYZHJOK-UHFFFAOYSA-N 299.374 3.520 30 20 CHED C=CCN(C(=O)c1ccnc2ccccc12)C(C)(C)C 622943033 LNTSVIZWFNTFGL-UHFFFAOYSA-N 268.360 3.662 30 20 CHED CCCN(CC#N)C(=O)C1CCC(c2ccccc2)CC1 463190613 JMLQBZWOFIWWJH-UHFFFAOYSA-N 284.403 3.723 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(OC)c(C)c1 280904576 RINKRNXALLZPNO-KYJSFNMBSA-N 289.419 3.635 30 20 CHED CSc1cccc(COC(=O)C2(C#N)CCCC2)c1 281075980 RDZKOOFWXWJKCR-UHFFFAOYSA-N 275.373 3.536 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(COc2ccc(C)cc2C)o1 465103843 QPDSZZQADJYDIY-AWEZNQCLSA-N 299.370 3.780 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 465175754 IMSXKTGWUUSWQI-ZETCQYMHSA-N 290.697 3.637 30 20 CHED CC(C)(C)SCCNC1(c2cccc(C#N)c2)CC1 284561292 YJRMYYSCCSONHY-UHFFFAOYSA-N 274.433 3.669 30 20 CHED C/C=C\c1ccc(NC(=O)COc2ccccc2C#N)cc1 553671061 RVCZHFVGFDFGJH-DJWKRKHSSA-N 292.338 3.609 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C1CC1)[C@@H](C)C(C)C 466376933 PSJNWAOGUUKHLQ-QWHCGFSZSA-N 252.402 3.560 30 20 CHED COc1cccc(C(=O)/C=C/c2cn(C(C)C)nc2C)c1 281013207 OVJKGSCQHPADTR-CMDGGOBGSA-N 284.359 3.677 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ncc(Cc2ccccc2)s1 285062914 JMBNBCLMPMMPBD-MRXNPFEDSA-N 299.399 3.612 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1c(C)cc(C)cc1O 285036874 HXLXSPOBXUDKNE-VKJFTORMSA-N 289.419 3.641 30 20 CHED C=CCCCN[C@H](COC)c1cccc(Cl)c1 558185287 ZDLLFAXFWDEHDJ-CQSZACIVSA-N 253.773 3.583 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 476897012 UIZARNFFSPPXKW-QZTJIDSGSA-N 298.430 3.969 30 20 CHED C=CCCCCCCCCNC(=O)N1CC=CCC1 806079589 AUQKHHLSGFKZJH-UHFFFAOYSA-N 264.413 3.875 30 20 CHED C#Cc1ccc(CN2CC[C@H](c3ccc(OC)cc3)C2)cc1 809560124 NWCCOZUVMUPWBL-IBGZPJMESA-N 291.394 3.666 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(O[C@H](C)CC)c1 477543434 PHMYJVOCVCNQPD-CYBMUJFWSA-N 276.380 3.904 30 20 CHED C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CCC#N)CC1 567791388 PNUUIHGAGKLUEH-ZDUSSCGKSA-N 287.363 3.672 30 20 CHED C=CCCCC(=O)NC[C@@H]1CCCN1CC1CCCCC1 479641150 JXNJVFGUIGNMBE-KRWDZBQOSA-N 292.467 3.504 30 20 CHED CC[C@@](C)(C#N)C(=O)Oc1cccc2c1CCC(C)(C)O2 808803341 SPZFPMQQIJLUHB-KRWDZBQOSA-N 287.359 3.635 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cc(C(F)(F)F)ccc1C 806326992 XREIJUQBSYEQOE-LBPRGKRZSA-N 298.308 3.937 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)[C@H]2CCCS2)s1 297816753 PRXHPWZBBLIZFJ-SNVBAGLBSA-N 294.445 3.751 30 20 CHED CCc1nc(C(C)C)ccc1CN(C)[C@H](C)CC#N 292823698 OCZXFVCUVJCEQT-CYBMUJFWSA-N 259.397 3.501 30 20 CHED C=CCCN(C)CCN(C(=O)OC(C)(C)C)C(C)(C)C 809651045 QQQLMRRDHNLVPP-UHFFFAOYSA-N 284.444 3.530 30 20 CHED Cc1ccc(C[S@](=O)Cc2ccc(CC#N)cc2)c(C)c1 564983108 ILJPTHQWPGOUDK-OAQYLSRUSA-N 297.423 3.818 30 20 CHED C[C@H](Cc1cncc2ccccc12)C(=O)OCCCCC#N 805683924 QANSSPFVPKWURQ-CQSZACIVSA-N 296.370 3.650 30 20 CHED C=CCCC1(C(=O)NCC(C)(C)c2ncccc2C)CC1 564599552 ZIRLATAVACRKEG-UHFFFAOYSA-N 286.419 3.530 30 20 CHED C=C(CC)CNCc1c(Cl)ccc2cccnc12 648840305 WTDXHMDAJFQOIK-UHFFFAOYSA-N 260.768 3.944 30 20 CHED C#C[C@@H](NC(=O)[C@@H](CC)Sc1ccccc1)C(C)(C)C 807884295 MDVUQWVFKZEPAW-HUUCEWRRSA-N 289.444 3.721 30 20 CHED C=C(CNC(=S)Nc1cccc(C)c1)c1ccccc1 806594775 QOQWECRSJPEYAA-UHFFFAOYSA-N 282.412 3.995 30 20 CHED C=CCC(CC=C)C(=O)N1Cc2ccccc2O[C@@H](C)C1 294129983 KLAACITVCMSPPM-AWEZNQCLSA-N 285.387 3.565 30 20 CHED CCSCC(=NN[C@H](C)CC)c1ccccc1 807984413 PGDJGDILPMZQAJ-GFCCVEGCSA-N 250.411 3.532 30 20 CHED CCCCC(=O)OCc1ccc(Br)cc1C#N 805337847 VICKZCWRUDCGCF-UHFFFAOYSA-N 296.164 3.554 30 20 CHED C=C(C)CN(C)C(=O)CCSc1ccc(C)cc1 479318457 ZUXZKLBNJRVJTK-UHFFFAOYSA-N 263.406 3.512 30 20 CHED C=CCCCCCCNC(=O)c1ccc(OC)cc1C 805220227 IKJWFDCRGCUZQB-UHFFFAOYSA-N 275.392 3.870 30 20 CHED COc1cccc2cc(C=NNCC3CCCC3)oc12 808006721 YXJOAKXNNDRHEE-UHFFFAOYSA-N 272.348 3.555 30 20 CHED C#C[C@H](NC/C=C\c1ccc(F)c(F)c1)C(C)(C)C 809782718 FKNDJVORYHUQPM-XHPSBEMXSA-N 263.331 3.616 30 20 CHED C#Cc1ccc(CN2CC[C@H]2c2cccc(F)c2)cc1 809584358 OFPCRHNJGIWMAZ-SFHVURJKSA-N 265.331 3.754 30 20 CHED Cc1ccc([C@H]2[C@@H](C)CCCN2c2cc(C#N)ncn2)cc1 564518830 CBGGVQXHFOIIKQ-KBXCAEBGSA-N 292.386 3.634 30 20 CHED C[C@H](C#N)OCCSCc1ccc(Cl)c(F)c1 802752504 QXAYVNCMTBCXKU-SECBINFHSA-N 273.760 3.641 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC(C)CC3)c2c1 487899103 PZSQHIOQFKUJSX-UHFFFAOYSA-N 265.360 3.651 30 20 CHED COC(=O)c1ccc(SCc2ccc(C#N)c(C)c2)cc1 568589370 MNQATBVFSSKQRN-UHFFFAOYSA-N 297.379 3.946 30 20 CHED CCSc1cccc(C=NN[C@H](C)c2ccncc2)c1 819815662 BZVAJDWZKYPKGA-CYBMUJFWSA-N 285.416 3.878 30 20 CHED N#CCC1(OC(=O)/C=C/c2ccc3[nH]ccc3c2)CCC1 810859244 FUHKDSCYQFEBPR-HWKANZROSA-N 280.327 3.561 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccc(C#N)c(C)c2)c1 488975513 KCWSXFQZDPBKGU-UHFFFAOYSA-N 282.362 3.946 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 483120570 KKJAYPGPRHTSQS-LSDHHAIUSA-N 261.409 3.914 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2c2ccnc(C#N)n2)cc1 563426435 MAHMVWWDIGPMKD-INIZCTEOSA-N 292.386 3.813 30 20 CHED Fc1cc(F)cc(C2CC(=NNC3CCCC3)C2)c1 814833012 ULKPGFMNNHOSJB-UHFFFAOYSA-N 264.319 3.730 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1Cl 488927860 YUACTCZULXOMHK-LBPRGKRZSA-N 289.766 3.784 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@H]1c1cccc(F)c1 489082046 WFVDIONVPIVEDW-INIZCTEOSA-N 298.361 3.791 30 20 CHED C=CCC(F)(F)C(=O)Oc1cccc2ccccc12 814813646 HSAIUMGLFSIEDH-UHFFFAOYSA-N 262.255 3.957 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(F)c2C#N)C1 488343154 CUCBNOUQWMIAJH-STQMWFEESA-N 288.366 3.642 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1Cl 488827990 BIGFVMPNWACRGX-VIFPVBQESA-N 285.721 3.799 30 20 CHED C#CCON=C(C)c1ccc(OCCC)cc1OCCC 812233137 NDDBJAMRTAXBIE-UHFFFAOYSA-N 289.375 3.638 30 20 CHED C[C@@H](C1CC1)n1cc(N[C@@H]2CCc3ccc(C#N)cc32)cn1 573529655 HDLIEQYNNNCDSD-KPZWWZAWSA-N 292.386 3.825 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CCCc1ccc(F)cc1 576596622 XCZONPCOFMLTTM-QGZVFWFLSA-N 290.382 3.593 30 20 CHED CCCCCCC[C@H](C)N[C@H](C)C1(OC)CCOCC1 817419115 AZKCVPIRVNMVMU-JKSUJKDBSA-N 285.472 3.909 30 20 CHED C=CCC(F)(F)C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 815914981 ZQCBZGPHCDCMGP-WDEREUQCSA-N 297.320 3.871 30 20 CHED C#CCCCC(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 817461459 RMBNMUYEABRDHI-SFHVURJKSA-N 287.378 3.553 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1ccc2c(c1)CCC2 728618031 VIZJJPOFJXLJFK-UHFFFAOYSA-N 295.313 3.543 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N 481182387 BKQAUFMTKCLSBJ-MLGOLLRUSA-N 260.356 3.756 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCCO[C@H]1CC(C)C 480769696 JMRJKJJEQPZRKP-VGWMRTNUSA-N 253.430 3.770 30 20 CHED CC(C)C1CCC(C=NNC[C@H]2CCSC2)CC1 811660703 SRUXMZMAIGRCFA-SHARSMKWSA-N 268.470 3.777 30 20 CHED CN(C(=O)c1cc(C#N)ccc1F)C1CCC(C)(C)CC1 829934359 JJXKIUGHSZZLIU-UHFFFAOYSA-N 288.366 3.738 30 20 CHED N#Cc1ccc(CN2CCCC3(CCCCCC3)C2)nc1 578202351 GZPCVJRJQOMLHK-UHFFFAOYSA-N 283.419 3.890 30 20 CHED Cn1c(NN=Cc2ccccc2Cl)nc2ccccc21 728776153 KOLCQAJTAQZHMI-UHFFFAOYSA-N 284.750 3.673 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2ccc(C#N)cn2)C1 570624748 ZZUBUBVPJWKVPI-DOTOQJQBSA-N 291.398 3.640 30 20 CHED C=CCN(Cc1ccc(OCC#N)cc1)Cc1cccs1 729267599 YSFWVLWOBHCKMF-UHFFFAOYSA-N 298.411 3.839 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1cccc([N+](=O)[O-])c1C 727973720 YRJAMJXUQMWENF-UHFFFAOYSA-N 295.342 3.974 30 20 CHED CC(C)C#CC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 829455997 MFCBIHMDRKDDHL-HNNXBMFYSA-N 292.382 3.585 30 20 CHED C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(CC#N)cc1Cl 570408323 JRGYBZVBKXMUKR-JTQLQIEISA-N 291.782 3.668 30 20 CHED N#C[C@H](NC(=O)/C=C/C1CCCC1)c1ccc(Cl)cc1 493326399 SOERMKRHXXCQHT-RNOHYWCBSA-N 288.778 3.767 30 20 CHED COc1cccc(O)c1/C=N/CC1(c2ccccc2C)CC1 726429906 UBKNGCUTWDWYCE-UDWIEESQSA-N 295.382 3.860 30 20 CHED Cc1ccccc1[C@H](C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 905928337 AZNMNBWKZCQTEI-RRFJBIMHSA-N 271.360 3.724 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCc2c(C)cccc21 729145542 UJYOTJUYSRJMBT-UHFFFAOYSA-N 295.342 3.974 30 20 CHED O=C(CCC1CCCCC1)N(O)Cc1ccc(F)cc1 901378191 FJHIYNUBVJNZEH-UHFFFAOYSA-N 279.355 3.904 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 908689672 ZXGWISBWXRIACW-UHFFFAOYSA-N 281.739 3.579 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1cc(C)nc(C)n1 664016537 QPJFDJAYIDEGKS-UHFFFAOYSA-N 298.386 3.718 30 20 CHED Oc1ccccc1/C=N\Cc1ccccc1OCC1CC1 739425981 HQQXJVSJYWNYGE-ODLFYWEKSA-N 281.355 3.800 30 20 CHED C(=NOCc1ccccc1)C1=Cc2ccccc2OC1 839423805 WBJYKDXKWFWPPK-UHFFFAOYSA-N 265.312 3.665 30 20 CHED C[C@]1(COC(=O)CCCCCC#N)CC1(Cl)Cl 837731108 YYPCAUXZBVHBOH-LLVKDONJSA-N 278.179 3.588 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(F)c(Cl)c2F)C1 839451727 ZQRAOMQNGWNDFD-IUCAKERBSA-N 299.704 3.857 30 20 CHED Cc1ccc(OC(F)F)c([C@H](C)NCC2(C#N)CCC2)c1 903032057 PCMIJBLEHUUIIF-LBPRGKRZSA-N 294.345 3.941 30 20 CHED C#CCOc1cccc(OC(=O)[C@@H](C)c2cccc(C)c2)c1 739564661 QTUWDVCWDATLGQ-HNNXBMFYSA-N 294.350 3.716 30 20 CHED C=CC(C)(C)C(=O)OCc1ncc(-c2ccccc2F)o1 837865273 XYZJTGCMZGMPNK-UHFFFAOYSA-N 289.306 3.736 30 20 CHED C=CCOCc1nc([C@@H](c2cccc(C)c2)C(C)C)no1 582267678 GGHDISKMSIYIBF-MRXNPFEDSA-N 286.375 3.869 30 20 CHED C=C(CN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 589337289 XYSRQAQZZGSFDP-IBGZPJMESA-N 274.367 3.849 30 20 CHED COCC1(CN[C@H]2CCc3ccc(C#N)cc32)CCCCC1 589350819 FWVCTIPSDBKPEU-SFHVURJKSA-N 298.430 3.732 30 20 CHED C=CCC1(C(=O)OCc2nc(C)cs2)CCCC1 835189461 KPPJHPZZIGWYFZ-UHFFFAOYSA-N 265.378 3.631 30 20 CHED C=CCNC(=S)Nc1cccc(Cl)c1OC(C)C 735626489 PFUUHDWTMBGEJD-UHFFFAOYSA-N 284.812 3.600 30 20 CHED COc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)ccc1Cl 839050783 CJPNCUGVGAOIOO-ZYHUDNBSSA-N 293.750 3.588 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CCCC2CC2)cc1 589797424 UMYPFXNUEZUPQB-MRXNPFEDSA-N 270.376 3.510 30 20 CHED C[C@H](NN=C1CCC[C@@H](C(F)(F)F)C1)C(F)(F)F 834998982 ZZIBBKBAYVKIMP-NKWVEPMBSA-N 276.224 3.635 30 20 CHED C=CCC[C@H](Nc1ccc2cnn(CCOC)c2c1)C1CC1 679140664 HYJRTTXANXLMPI-KRWDZBQOSA-N 299.418 3.839 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)c1ccccc1SC 835402222 PIFTUYDDSSQGSZ-BNOWGMLFSA-N 292.400 3.604 30 20 CHED CCCC(C)=NNC(=S)Nc1c(C)cccc1C 915911617 FMKBENKRNQMGRD-UHFFFAOYSA-N 263.410 3.766 30 20 CHED Fc1ccccc1CCNN=C1CCCC12CCC2 834962552 UCEZLOWWPXOAMP-UHFFFAOYSA-N 260.356 3.668 30 20 CHED C#CCCCCCOC(=O)c1cc2cccnc2s1 835279909 ZBOFIAPXTGHUOH-UHFFFAOYSA-N 273.357 3.647 30 20 CHED Cc1cc(CNC2(c3ccccc3C)CC2)ccc1C#N 592139825 JALYMHKJUAKMKW-UHFFFAOYSA-N 276.383 3.954 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1cccc(F)c1)C1CCCC1 593458395 ORIOJSBRVCMRKG-CQSZACIVSA-N 288.366 3.647 30 20 CHED Cc1cc(C)nc(NN=C2CC[C@@H]3CCCC[C@H]3C2)n1 916241086 GGMRVXAYCCYGBL-KBPBESRZSA-N 272.396 3.852 30 20 CHED COc1cccc(/C=N/[C@H](C)c2c(F)cccc2F)c1O 917557869 DJAYMDRPQKEDJU-XTTRTJGBSA-N 291.297 3.859 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1c[nH]c2ccc(F)cc12 747039733 BXIDDUNKHVVIKY-UHFFFAOYSA-N 298.277 3.661 30 20 CHED C=CC(C)(C)C(=O)OCc1coc(-c2ccc(C)cc2)n1 837864695 XEQLGSSLGJTXEU-UHFFFAOYSA-N 285.343 3.905 30 20 CHED C[C@@H](C#N)OC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 745222858 NFIXTZHSYYMTEY-ZJUUUORDSA-N 285.265 3.654 30 20 CHED CCCCCCCN1CC[C@H]2[C@H](CCCN2C2CC2)C1 749516086 RRDBAHXDDBBGTF-AEFFLSMTSA-N 278.484 3.906 30 20 CHED COc1ccc(CNN=C(C)c2cccc(C)c2)cc1 917547478 SMPJXTWHTXLSPN-UHFFFAOYSA-N 268.360 3.517 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1ccccc1Cl)C(C)C 915155374 NXZITLWEXFGIEL-GFCCVEGCSA-N 281.783 3.530 30 20 CHED CCCC[C@@H](C(=O)N(CCC#N)Cc1ccco1)C(C)C 598896797 OUGHZGFFUAXLND-MRXNPFEDSA-N 290.407 3.984 30 20 CHED Oc1ccc(/C=N\CC2CCCCCCC2)c(O)c1O 917557863 DEWLICGMEDVUHO-BOPFTXTBSA-N 277.364 3.583 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C/c1cccnc1Cl)C2=O 742436981 HXPONOBFWSQDNN-LCYFTJDESA-N 294.741 3.819 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCC[C@H](C3CC3)C2)cc1 595056248 SKXMGJZTPHYOJB-ZWKOTPCHSA-N 268.404 3.659 30 20 CHED Clc1cccnc1NN=Cc1coc2ccccc12 746565678 QSUAQBFPLUHXBF-UHFFFAOYSA-N 271.707 3.927 30 20 CHED C=CCc1cc(CNc2nccs2)cc(OC)c1OC 747810384 MPSGSNDNROWVFX-UHFFFAOYSA-N 290.388 3.501 30 20 CHED CC1(C)CCc2cc(CN3CCC[C@H](CC#N)C3)ccc2O1 597173947 OGRCOPJSXOUKFE-OAHLLOKOSA-N 298.430 3.916 30 20 CHED C=CCCCC(=O)Nc1nnc(C2CCCCC2)s1 748290855 JOKLPTLUBPFKQG-UHFFFAOYSA-N 279.409 3.881 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)SCc1ccccc1 744303483 DFBJKHRJLLGXBZ-CYBMUJFWSA-N 264.390 3.818 30 20 CHED Oc1ccccc1/C=N/Cc1ccc(Br)s1 914557784 KOHQDNLBBLGSLF-VGOFMYFVSA-N 296.189 3.835 30 20 CHED COc1ccc2ccccc2c1C=NOCc1cccnc1 746585317 BBKBEQOSKSZMPR-UHFFFAOYSA-N 292.338 3.794 30 20 CHED CC(C)O[C@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 593487789 WXFDUZLPJVVWJX-INIZCTEOSA-N 295.386 3.500 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(OC)c2ccccc12 599888066 PAYYWOXILZZQEP-LBPRGKRZSA-N 297.358 3.662 30 20 CHED CC(C)[C@H](C)C(=O)N(c1ccc(C#N)cc1)C1CCC1 598886723 JBGURIQECDNWSB-ZDUSSCGKSA-N 270.376 3.736 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2ccc(C)c(C)c2)o1 748439683 AZEODDSFAVUIJZ-CLFYSBASSA-N 298.338 3.969 30 20 CHED CC1(C)[C@H](/N=C/c2cc(Cl)ccc2O)[C@@H]2CCCO[C@H]21 741465764 YCHUYTHKMUNLTE-QBACMOFQSA-N 293.794 3.668 30 20 CHED CC(CCc1cccc(C(F)(F)F)c1)=NNCC(F)F 740618479 RQPIZEUHELDYLA-UHFFFAOYSA-N 294.267 3.869 30 20 CHED CCCCCCCC[S@@](=O)Cc1conc1CC 846767211 OMLXRQZNCDDCJD-GOSISDBHSA-N 271.426 3.846 30 20 CHED C=CCC1(C(=O)OCc2cnn(C(C)(C)C)c2)CCCC1 849799129 KHSNMPOFNCFZED-UHFFFAOYSA-N 290.407 3.818 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1COC(C)(C)C 928389311 BUNPAMYAKBMCEM-UHFFFAOYSA-N 287.403 3.990 30 20 CHED CSCc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 926233387 BBZMIYGQFFKFNN-ZDUSSCGKSA-N 276.449 3.968 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc(-n2cccn2)c1 926038551 YGLUZMCTIRHAMX-ZDUSSCGKSA-N 268.364 3.613 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 753259034 NQZBVSRKKCFALV-WBVHZDCISA-N 284.403 3.508 30 20 CHED C[C@H](CCC(=O)OCC1(CC#N)CC1)c1ccccc1 750349084 ZPHQQRYGSVIXPM-CQSZACIVSA-N 271.360 3.807 30 20 CHED C#CC[C@H](NC(=O)c1csc(C(C)C)n1)c1ccccc1 757596797 JFZUXFHAOGCOGW-AWEZNQCLSA-N 298.411 3.761 30 20 CHED Cc1cc(C#N)ccc1OCc1cc(C(=O)O)sc1C 832859341 PAQWBDMWSJGITD-UHFFFAOYSA-N 287.340 3.514 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H](C#N)C1)c1cccc(C2CC2)c1 922643752 BYNXZKFPJDZUJC-KBPBESRZSA-N 297.402 3.570 30 20 CHED C=CCOc1cccc(NC(=O)N(C)C(C)(C)CC)c1 684916237 PSZQZFYUGOZJMF-UHFFFAOYSA-N 276.380 3.904 30 20 CHED Cc1ccc([C@@H](NCC(C)(C)C#N)c2cccnc2)cc1 926873552 GOKXMAUIGUXFNQ-QGZVFWFLSA-N 279.387 3.619 30 20 CHED O=C(/C=C/c1ccc(F)c(Cl)c1)c1ccc(O)cc1O 755599362 QPBDDRPBGJUJDX-QHHAFSJGSA-N 292.693 3.786 30 20 CHED CCOc1ccc(-c2cnn([C@H]3CCCCO3)c2)cc1C#N 854207903 PZSCZIGMVIIKQN-QGZVFWFLSA-N 297.358 3.520 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cc(F)cc(F)c1 755892008 PGTGGGOFXMPHIC-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)OC1(C#N)CCC1 756579725 KOEAHPVVRUWPTH-LUAWRHEFSA-N 275.735 3.733 30 20 CHED C=C(C)[C@H](CC(=O)NC(C)(C)c1ccc(F)cc1)OCC 755860876 YVZRXQPPLRFIHI-HNNXBMFYSA-N 293.382 3.548 30 20 CHED C#C[C@H](N[C@H](C)c1cc2ccc(C)cc2o1)[C@H]1CCCO1 756052898 GGCWUYGRVOLZGG-VNQPRFMTSA-N 283.371 3.573 30 20 CHED CC(CCc1ccc(C)cc1)=NNc1oc(C)nc1C#N 920373950 RTMYYMKCMORFGD-UHFFFAOYSA-N 282.347 3.584 30 20 CHED Cc1ccc(C(=O)OCc2ccccc2C#N)c(Cl)c1 755652891 BSWJUYKEDCLTGA-UHFFFAOYSA-N 285.730 3.877 30 20 CHED CC(C)CCC(=NNc1ncc(Cl)cn1)C1CC1 857221320 YVGADBNQURDKAF-UHFFFAOYSA-N 266.776 3.744 30 20 CHED CC(C)c1cccc(C(=O)O[C@H](C)CC(C)(C)C#N)n1 851210213 SHVBENOVGRBHOL-GFCCVEGCSA-N 274.364 3.690 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(SC(F)F)cc1)C1CC1 855584900 XQRBXTGFBVGPPH-VIFPVBQESA-N 296.342 3.518 30 20 CHED N#CCc1ccc(C(=O)OCc2ccc(Cl)s2)cc1 758678139 DRQSTMXIGCMWDY-UHFFFAOYSA-N 291.759 3.825 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc(OC(F)F)cc1 755819938 VOWOZSTZXAPUEX-ZDUSSCGKSA-N 285.290 3.555 30 20 CHED N#CC1(CCCCN2CCCC[C@H]2c2cc[nH]n2)CCC1 930447550 AKXYKYCPCCXPLT-INIZCTEOSA-N 286.423 3.801 30 20 CHED CCCCCCCOc1ccc(NC(=O)COC)cc1 764557785 ATBLUXWNLIBJLU-UHFFFAOYSA-N 279.380 3.621 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(-c2cn[nH]c2)c1 935137636 CMHCFKGHBYGGCZ-LBPRGKRZSA-N 269.348 3.618 30 20 CHED Cc1cc(OC(=O)c2c(C)noc2C(C)C)ccc1C#N 765096359 WLOWRSCDNPBNNX-UHFFFAOYSA-N 284.315 3.506 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2nc(C)cs2)c1 860450728 YWBAAOHWBDUORT-RRFJBIMHSA-N 296.395 3.740 30 20 CHED Cc1cc(OC(=O)c2cccc(C(C)C)n2)ccc1C#N 765118679 VFXCLGVPHKGJCH-UHFFFAOYSA-N 280.327 3.604 30 20 CHED CCOc1ccc(C#N)cc1NC/C(Cl)=C/Cl 763243472 YHSKXHIFDQOOOG-POHAHGRESA-N 271.147 3.688 30 20 CHED C=CCCC(=O)COC(=O)/C=C\c1ccc(SC)s1 860290120 OMKRDWFRRQTLST-VURMDHGXSA-N 296.413 3.562 30 20 CHED C#CCN(CCCCC(C)(C)C#N)Cc1ccc(F)cc1 769706079 QQAJSZWMFAMXKG-UHFFFAOYSA-N 286.394 3.981 30 20 CHED C/C=C(\C)C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 760987484 PUTLUNWXKQIIIC-SIUBYYJGSA-N 274.320 3.578 30 20 CHED Cc1cncc(C(=O)/C=C/c2cnc(Cl)c(C)c2)c1 767365942 HVPHDUTWEUCKDE-ONEGZZNKSA-N 272.735 3.643 30 20 CHED C#CCCCCCC(=O)Nc1ccc(SC)cc1OC 772691406 PHTPSSBPWNNDBY-UHFFFAOYSA-N 291.416 3.939 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(OC)c(OCC)c1 878292562 MVDFNAVPINKDPP-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ccc(F)nc2)CCCC1(C)C 770596581 LOXMUFSXQBMPGH-CYBMUJFWSA-N 291.370 3.819 30 20 CHED C#CCCCCCC(=O)Nc1cncc2ccccc12 779946071 NOOUOSYVWNSKTA-UHFFFAOYSA-N 266.344 3.757 30 20 CHED CCCCNc1nc2ccccc2n1C[C@H](C#N)CCC#N 875933596 PXMUVUXQLMZTNN-AWEZNQCLSA-N 295.390 3.692 30 20 CHED C#CC[C@H](NC(=O)N[C@@H](C)CCCC=C)c1ccccc1 775756121 XTHNLTDVYRCYDK-RDJZCZTQSA-N 284.403 3.795 30 20 CHED CCC(CC)N(C(=O)Nc1cc(C#N)ccc1F)C1CC1 888360539 MHFUOTVHCIRHSY-UHFFFAOYSA-N 289.354 3.882 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1ccc2ccccc2n1 776367780 KXPGTRUJCHGJKQ-UHFFFAOYSA-N 296.370 3.650 30 20 CHED CC1(C)CCC[C@@H]1NN=C/C=C\c1ccccc1[N+](=O)[O-] 782287188 KWYIEGVYESEADW-NTELONAASA-N 287.363 3.762 30 20 CHED C=CCCOC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786337211 KBUDJXUGCJZWCB-GFCCVEGCSA-N 257.333 3.781 30 20 CHED C=CCCCCCOC(=O)[C@H](C)c1c(C)noc1C 783341688 QTFXFPCBRMEIAA-LLVKDONJSA-N 265.353 3.685 30 20 CHED COc1ccc(CNN=C[C@H]2CCCC[C@@H]2C)cc1 783832253 FBMLBSPNNGRJBS-DZGCQCFKSA-N 260.381 3.597 30 20 CHED Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)CC#N 780373143 JIZCFHAUWWFPTD-GFCCVEGCSA-N 280.327 3.516 30 20 CHED N#Cc1cc(Cl)ccc1SCOC(=O)C1CCC1 882138319 FXQHNDBANQFSRA-UHFFFAOYSA-N 281.764 3.605 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@]1(CC)CO 784724592 RPJYMRDSNUBERY-QGZVFWFLSA-N 283.456 3.891 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc(C)c(C)c1 781130563 XWOMAUPALVAWIW-UHFFFAOYSA-N 257.312 3.674 30 20 CHED OC[C@H](NN=Cc1cc2ccccc2s1)c1ccccc1 788455762 NXCLCPVNKGDQAG-INIZCTEOSA-N 296.395 3.558 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CCCc1ccsc1 783421751 WHRYJGFJPGHUNP-UHFFFAOYSA-N 292.448 3.859 30 20 CHED CCc1ccc(OCC(=O)OCCCC(C)(C)C#N)cc1 781959400 YBECUSACGFDCKS-UHFFFAOYSA-N 289.375 3.501 30 20 CHED COc1cccc(O)c1/C=N\C[C@@H](SC)C(C)(C)C 783681276 ABCNEDORIQJSMO-SLVCOGOPSA-N 281.421 3.597 30 20 CHED C=C(C)CNC(=S)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 782445363 MRGNQOYOPXKCOC-GOEBONIOSA-N 288.460 3.623 30 20 CHED CC[C@]1(C)CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 1136968789 UKXOPQXJASTWIX-PKOBYXMFSA-N 298.430 3.798 30 20 CHED C[C@@H](OC(=O)/C=C/c1ccc(O)cc1)c1cccc(C#N)c1 782438004 BZTHAFZYXLUMQA-UTSBKAFOSA-N 293.322 3.581 30 20 CHED C=CCCC[C@H](N)c1nc(Cc2ccccc2Cl)no1 899992660 CBPPSQJXKBGLTL-ZDUSSCGKSA-N 291.782 3.670 30 20 CHED C[C@@H]1CCCC(=NNc2nc3ccccc3[nH]2)[C@@H]1C 781116661 FXZMJXXKYWPQJC-GHMZBOCLSA-N 256.353 3.787 30 20 CHED CC[C@@H](CC(=O)OCCCC(C)(C)C#N)C(C)C 783503381 NHAUWBBRKFFVAR-ZDUSSCGKSA-N 253.386 3.932 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(F)cc2C)c(C)n1 899355246 OONOJJLVUOJCKK-YVMONPNESA-N 272.323 3.555 30 20 CHED C=CC(C)(C)CC(=O)Oc1cccc(NC(=O)C(C)C)c1 892689034 OZCVGWIECPZMMV-UHFFFAOYSA-N 289.375 3.789 30 20 CHED Cc1cccnc1NN=C1CC(C)(C)Oc2ccccc21 790193037 PNGBUXGRZQWJOP-UHFFFAOYSA-N 281.359 3.767 30 20 CHED COc1cccc(/C=N\[C@H]2C[C@H](c3ccccc3)C2)c1O 797784724 GNFKNKLWOJLNOV-LIRYTKDYSA-N 281.355 3.766 30 20 CHED C[C@H](CNC(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1208346443 YSEJBCQYGGBZNP-GFCCVEGCSA-N 297.333 3.623 30 20 CHED CCC(=NNc1ncccc1F)c1ccccc1F 794990882 QRNCZAIJEOBMFD-UHFFFAOYSA-N 261.275 3.586 30 20 CHED CC[C@H](C)NN=Cc1c[nH]c2cccc(Br)c12 790183355 QRCIPWNVKRZOOT-VIFPVBQESA-N 294.196 3.652 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 132901007 CWZQPZUYNATZRO-UHFFFAOYSA-N 284.281 3.630 30 20 CHED C=C1CN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)C1 898694550 IZTOLBBQAUJUAD-JTQLQIEISA-N 284.186 3.570 30 20 CHED CC[C@@H](C)CON=C(C)c1cc2c(s1)SCC(=O)N2 793145339 ILBTUZIMGAASQA-MRVPVSSYSA-N 298.433 3.579 30 20 CHED CCCCCCCC(=O)N1CC[C@@H](c2ccccn2)C1 798711125 PEFYSOANADFREN-OAHLLOKOSA-N 274.408 3.758 30 20 CHED C=CCC1(C(=O)OCc2cc(F)cc(F)c2)CCC1 791557255 VIWVMDXRGVLSEP-UHFFFAOYSA-N 266.287 3.754 30 20 CHED FC(F)(F)CCNN=Cc1csc(Cl)c1Cl 794551589 DAKVBTMIGMZZCK-UHFFFAOYSA-N 291.125 3.931 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@@H]2OC(=O)c1ccc(C#N)o1 797012453 KVQSLXBXWVHMEL-NHYWBVRUSA-N 281.311 3.865 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCCc2c[nH]nc21 793552292 XQTABXJFTBRQSC-DZGCQCFKSA-N 261.413 3.902 30 20 CHED COCCCON=CCCc1c(Cl)cccc1Cl 795053024 FUZSFCVJCZSMRZ-UHFFFAOYSA-N 290.190 3.965 30 20 CHED CC(C)CO[C@H]1CC(=NNc2cccc(Cl)n2)C1(C)C 793175257 SLYLPMDQEZGXAE-LBPRGKRZSA-N 295.814 3.974 30 20 CHED FC(F)Oc1ccc(NN=C[C@@H]2CCCSC2)cc1 794905980 MLHOHXUCFVSIPN-JTQLQIEISA-N 286.347 3.829 30 20 CHED C=CCCCOC(=O)Cc1cccc(C(F)F)c1 790706795 CRYZNFQEOZPQMT-UHFFFAOYSA-N 254.276 3.676 30 20 CHED Cc1ccc([C@H](C)OC(=O)c2ccc(F)c(C#N)c2)cc1 790863806 IOUJHRCDRVEIRE-LBPRGKRZSA-N 283.302 3.924 30 20 CHED CCCCCCCC[S@](=O)c1ccc(O)cc1 790202741 XMUQFSVCEMCORA-KRWDZBQOSA-N 254.395 3.860 30 20 CHED C#Cc1cccc(NC(=O)N2CCc3cc(C)ccc3C2)c1 792224451 SEGXGCQCFOZTRA-UHFFFAOYSA-N 290.366 3.567 30 20 CHED Oc1nc2ccccc2cc1/C=N/C[C@@H]1CCC(F)(F)C1 797398944 SFYJOSUVOPUFKT-VURRPDKYSA-N 290.313 3.795 30 20 CHED CCCCOc1ccccc1C=NNCCC(F)(F)F 794547837 MJDXLUJBQXQUKN-UHFFFAOYSA-N 288.313 3.741 30 20 CHED COc1ccc([C@H](C)C(C)=NNCCC(F)(F)F)cc1 794553335 QPXGSPLCECTVCW-SNVBAGLBSA-N 288.313 3.717 30 20 CHED CC1(C)CCc2ccccc2C(=NNC2CCOCC2)C1 797786131 HYDDEFCQEQZSBL-UHFFFAOYSA-N 286.419 3.522 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Oc1ccccc1Cl 799458253 SZWCUMYZGZACPR-MDZDMXLPSA-N 283.714 3.830 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCCO2)c(C(F)(F)F)c1 133469200 ZYGWPERISXOCOD-NSHDSACASA-N 284.281 3.558 30 20 CHED COc1ccccc1CON=C1C[C@H](OC(C)C)C1(C)C 799117807 PSZBXWNUYWDMJR-INIZCTEOSA-N 291.391 3.791 30 20 CHED CCc1ccc2c(c1)CCN2c1cc(C)c(C#N)cn1 1307229983 OTFCNICZWYUCMU-UHFFFAOYSA-N 263.344 3.518 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(F)cc1C 135344009 KVIZOGYXSBXJIY-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=C(CNC(=O)NCC1(CC(C)C)CC1)c1ccccc1 1312276702 WUDOAQMXOGZODA-UHFFFAOYSA-N 286.419 3.825 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C/c1cncs1)C2=O 1319226249 DMGIMLQZWPWBBX-QQCYMQAYSA-N 271.341 3.541 30 20 CHED CC(=NOCc1ccccc1)c1c(C)nc2sccn12 1317785795 ZQZABVOPWYTJKF-UHFFFAOYSA-N 285.372 3.645 30 20 CHED C=C(C)CCNCc1cc(Br)cs1 168992756 JOYTUQALELBWTG-UHFFFAOYSA-N 260.200 3.566 30 20 CHED C=C(C)CCNc1cc(OC)ccc1Br 169000724 NSZHYSNHYICNBE-UHFFFAOYSA-N 270.170 3.836 30 20 CHED COc1ccc(O)c(/C=N/Cc2cccc(Cl)c2F)c1 1323241310 WPFBPYWHVANYTI-GIJQJNRQSA-N 293.725 3.812 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1cccc(F)c1C#N 1179361167 SVVQXESXMUGNNR-UHFFFAOYSA-N 296.345 3.586 30 20 CHED CC#CCCCc1nnc(COc2cc(C)cc(C)c2)o1 1327008467 WCWHVLICJPAYMF-UHFFFAOYSA-N 284.359 3.611 30 20 CHED CC(C)CN(CCC#N)CCOc1ccccc1Cl 755670033 MRLHZLBCRLBIKK-UHFFFAOYSA-N 280.799 3.590 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC(Cc2ccc(C)cc2)CC1 1257450462 ZENQFNSBXHIJPI-LJQANCHMSA-N 298.430 3.716 30 20 CHED C=CC[C@H]1CCCN(Cc2noc(-c3ccsc3)n2)C1 661378916 OKYMLFXGQXIMIQ-LBPRGKRZSA-N 289.404 3.586 30 20 CHED C[C@H]1C[C@@H](C)CN(c2nc3ccccc3cc2C#N)C1 70217997 YSZGYMPNHYNZDS-BETUJISGSA-N 265.360 3.589 30 20 CHED CC[C@@H]1CCN(c2c(C#N)cnc3c(Cl)cccc23)C1 1185708323 OHUPNDZPLSDYTD-LLVKDONJSA-N 285.778 3.996 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccccc2Cl)CCO1 1254216379 RGVCUVFMIGNSCN-AWEZNQCLSA-N 266.772 3.943 30 20 CHED CC(C)(C)C#CC(=O)N1CCC(c2cccc(F)c2)CC1 1337244731 LPJCIFVHTTVDAW-UHFFFAOYSA-N 287.378 3.581 30 20 CHED CCO[C@@H]1C[C@H](Nc2cc(C)c(C#N)cn2)C1(CC)CC 1185543900 MMIDDTJJVAGKCS-LSDHHAIUSA-N 287.407 3.657 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc2c(c1)oc1ccccc12 1341108524 VYAGHFOOZCMJMN-JTQLQIEISA-N 265.268 3.655 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)C(C)(C)C1CCC1 1345044796 GKDKTDDXAGIMPG-AWEZNQCLSA-N 285.387 3.581 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)c1ccoc1)c1cccs1 1346403790 UHIKLCBBWUGKEA-ZWNOBZJWSA-N 275.329 3.789 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCOC(C)(C)C1 1349560308 SYLZXVFULPLRPS-HNNXBMFYSA-N 281.440 3.834 30 20 CHED C=C(CC(C)C)C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O 1347018931 UKHYRMIFEMOXCC-ZACQAIPSSA-N 293.451 3.521 30 20 CHED C#CCN(CC1CC1)C(=O)c1cc2cc(C)ccc2s1 1343535226 UBVMOYDQJPHELN-UHFFFAOYSA-N 283.396 3.695 30 20 CHED C=C(Cl)COC(=O)CSCc1cccc(Cl)c1 916616652 JINDXVGOJZAILP-UHFFFAOYSA-N 291.199 3.869 30 20 CHED C=C(CC)C(=O)N[C@H](c1nc2ccccc2[nH]1)[C@@H](C)CC 1350909042 VBHXYCRLNLELJF-NHYWBVRUSA-N 285.391 3.733 30 20 CHED CC1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCCCC1 1436565921 SZKLHNDYNHUGGN-UHFFFAOYSA-N 290.794 3.912 30 20 CHED N#Cc1ncccc1SCc1ccccc1OC(F)F 1459072901 KNBBRNFDSVVDMK-UHFFFAOYSA-N 292.310 3.847 30 20 CHED CCc1ccc(CN(CC(C)C)c2cc(C#N)cnn2)cc1 1458452963 MQSSKOGWKLRLKC-UHFFFAOYSA-N 294.402 3.573 30 20 CHED COc1ccc(C#N)cc1CSc1ccc2[nH]ncc2c1 1459132112 SLNGHWJDJCPEQT-UHFFFAOYSA-N 295.367 3.735 30 20 CHED CCC(C)(C)Cn1c(C(C)C)nnc1N(C)[C@H](C)CC#N 1291348168 BYDXNURYSQRLAR-CYBMUJFWSA-N 291.443 3.576 30 20 CHED CCC[C@H](NC(=O)Nc1sccc1C#N)C1CCC1 1467000781 WCMMGQTXXWFPHP-LBPRGKRZSA-N 277.393 3.710 30 20 CHED CCCC[C@H](CC)CC(=O)Nc1cc(C#N)cc(C)n1 1544535121 UMNMWCAJCMDTQF-ZDUSSCGKSA-N 273.380 3.807 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cc1 1544677231 PVALUMNFKHXALN-GDBMZVCRSA-N 270.376 3.504 30 20 CHED Cc1cc(Oc2ccccc2OC(F)F)ncc1C#N 1559097217 PGVDSOWSJOPELT-UHFFFAOYSA-N 276.242 3.655 30 20 CHED C[C@H]1C[C@H](CCNc2cncc(C#N)n2)CC(C)(C)C1 1559179958 PAIMUFAYZHPAJM-STQMWFEESA-N 272.396 3.613 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1Nc1ccc(CC#N)cc1 1621236908 WREWJJUTCFNRCN-CVEARBPZSA-N 272.392 3.758 30 20 CHED C[C@@H]1CCC[C@H](CNCc2ccc(C#N)cc2)[C@@H]1C 1560456446 WGZVFPKHBXPKPW-CKEIUWERSA-N 256.393 3.720 30 20 CHED N#Cc1cc(CN2CCCc3ccccc3CC2)ccc1F 1645680235 DQHWSVRUCSFUCC-UHFFFAOYSA-N 294.373 3.688 30 20 CHED CC[C@H](C)[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)OC 1655496669 OVRBOIMDVTYRHG-GXTWGEPZSA-N 289.423 3.724 30 20 CHED CC[C@H](NCc1ccc(F)c(C#N)c1)[C@H]1CC1(C)C 1659060111 UDUPOSFPPCMKBG-HIFRSBDPSA-N 260.356 3.612 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cc(C(=O)O)co1 1589016341 IBGXVXDZQZNDRM-UHFFFAOYSA-N 292.722 3.776 30 20 CHED C=C(C)CCSc1ccc(Cl)cc1-c1nn[nH]n1 1588425173 XOUCAWNRTMWBKE-UHFFFAOYSA-N 280.784 3.578 30 20 CHED CCCON=Cc1ccc(-c2cccc(C(=O)O)c2)s1 1776082750 OIGPICGQUSZHTK-UHFFFAOYSA-N 289.356 3.874 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H](C)C[C@@H](C)CC)CC1 1776159703 XLALSKWTFRYIMQ-GJZGRUSLSA-N 281.440 3.802 30 20 CHED N#CCOc1cc(F)ccc1NCc1ccc(F)cc1F 150771087 XRHZBCOKSHCNDD-UHFFFAOYSA-N 292.260 3.618 30 20 CHED C=CCN(C)C(=O)/C=C/c1cccc(OC2CCCC2)c1 161535592 HOUFSLWYKYSVBE-VAWYXSNFSA-N 285.387 3.666 30 20 CHED C[C@@H](CC#N)NC(=O)Nc1cccc(CCC(F)(F)F)c1 162002077 KGTYKRDEFFYJSU-JTQLQIEISA-N 299.296 3.605 30 20 CHED CCSCC[C@@H](C)N[C@H](C)c1cccc(C#N)c1 164593754 DHYFDXBNITXGMJ-CHWSQXEVSA-N 262.422 3.741 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2)s1 7333298 UPKUZCICFVKKER-ZZXKWVIFSA-N 292.743 3.996 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 153524559 VEQANAAHMZHSEE-VIFPVBQESA-N 287.190 3.882 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 153589899 IGRNVXSNVTWDKD-YGRLFVJLSA-N 276.767 3.520 30 20 CHED CC[C@@H]1CN(c2cccc(Cl)c2C#N)CCS1 157522066 KYRPAWYSSRDCFN-SNVBAGLBSA-N 266.797 3.543 30 20 CHED C#CCCCCNC(=O)N(CC1CCCCC1)C1CC1 155125107 ZIGOKQNFSUHPNG-UHFFFAOYSA-N 276.424 3.544 30 20 CHED C=C(C)CNC(=O)Nc1cccc(Cl)c1Cl 156099059 DSDSGEASSXBUJY-UHFFFAOYSA-N 259.136 3.691 30 20 CHED CCN(C[C@@H](C)C#N)[C@@H](C)c1cc(F)ccc1F 157647515 GOPQSYPYGDCZPV-QWRGUYRKSA-N 252.308 3.507 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCCC[C@H]1c1ccco1 336154888 QTAIHCUVYDQOJW-HNNXBMFYSA-N 298.342 3.810 30 20 CHED N#Cc1cccc(-c2nc(-c3cccc(Cl)c3)no2)c1 109469083 UOSMWQRDMNCOFM-UHFFFAOYSA-N 281.702 3.929 30 20 CHED C[C@H](Cc1cccs1)Nc1c(F)cc(C#N)cc1F 111143144 NVMHYLSRHVIOFA-SECBINFHSA-N 278.327 3.941 30 20 CHED N#Cc1c(F)cccc1Oc1ccc(F)cc1[N+](=O)[O-] 112209305 KGNSLIHRLZDDDA-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C=CCCN[C@@H]1CCc2c(Br)cccc21 232481574 IHNSXMBSPSEASG-CYBMUJFWSA-N 266.182 3.602 30 20 CHED C#Cc1cccc(NC(=O)c2cc(Cl)ccc2OC)c1 22969618 YUZJOCPFQZWZFC-UHFFFAOYSA-N 285.730 3.582 30 20 CHED C[C@@H]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 160174269 YHRVCBJZCZMMDF-PSASIEDQSA-N 269.270 3.573 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1C1CCCCC1 179782640 ANVKKXRPCKHGMR-INIZCTEOSA-N 261.409 3.751 30 20 CHED C[C@H](c1cccs1)N(CC#N)Cc1ccccc1 299365412 DMCZJQXDOPQESY-CYBMUJFWSA-N 256.374 3.835 30 20 CHED C=CCCCCN[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 463274031 BWQFUHRJFJJXPX-IEBWSBKVSA-N 286.463 3.985 30 20 CHED Cc1cc(NCC(C)(C)c2cccs2)cc(C#N)n1 308279995 QGTZXVHWJBTVIG-UHFFFAOYSA-N 271.389 3.713 30 20 CHED Cc1ccc(F)c(CNc2cc(F)cc(C#N)c2)c1 600857274 ZHYTWGVEBSKHFA-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#CCc1cccc(NC(=O)CC2CCCCC2)c1 313457241 CEBCAHJKARFYEE-UHFFFAOYSA-N 256.349 3.662 30 20 CHED C=CCC[C@H](CO)Nc1ccnc2cc(Cl)ccc12 320610682 COXSOVKKPHKSFP-GFCCVEGCSA-N 276.767 3.627 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)c1cccc2ccsc12 329835556 MDRIXYGQSVRRET-AAEUAGOBSA-N 270.357 3.898 30 20 CHED C=CC(C)(C)CN[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 449487112 WUVOCJNJRVYJNJ-FUHWJXTLSA-N 286.463 3.841 30 20 CHED C[C@@H]1CCCCN(c2nc3ccccc3cc2C#N)C1 703187758 NIOFIPAGLGZMNH-CYBMUJFWSA-N 265.360 3.733 30 20 CHED N#Cc1cc(Cl)ccc1N1CCCC2(CCC2)C1 480363016 JXBGZHPLBLZMLF-UHFFFAOYSA-N 260.768 3.982 30 20 CHED C=CCCSCCN[C@@H]1CCc2c(F)cccc21 594713063 SMLDUKPDFIKBTQ-OAHLLOKOSA-N 265.397 3.712 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1cc(C#N)ccc1F 396871807 OMJRUMYWGSZLNQ-HNNXBMFYSA-N 260.356 3.708 30 20 CHED CC(C)O[C@H]1CC(=NOCc2ccccc2)C1(C)C 764905161 HDDODRLRWSOXQA-HNNXBMFYSA-N 261.365 3.783 30 20 CHED C=CCc1ccccc1OCC(=O)Nc1ccc(F)cc1 1284749 VYWVHOVWAGEFED-UHFFFAOYSA-N 285.318 3.572 30 20 CHED CCc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 3123338 TUHCDAQGXWPXSE-UHFFFAOYSA-N 262.308 3.712 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1ccc(F)cc1F 7712516 UIQIIHXDVKWOAN-FPYGCLRLSA-N 260.239 3.567 30 20 CHED N#Cc1c(C(F)(F)F)cc(-c2cccnc2)[nH]c1=S 8419470 LRHUTKLPWQGSJF-UHFFFAOYSA-N 281.262 3.697 30 20 CHED N#Cc1ccc(F)c(CNc2cccc(Cl)c2)c1 20051001 OFUSCUKKBJGPIK-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1cc(C)cc(OCCC(=O)Nc2ccccc2C#N)c1 20261534 YECZRVFWJQGQPU-UHFFFAOYSA-N 294.354 3.583 30 20 CHED N#Cc1cccc(C(=O)OCc2ccc(F)cc2Cl)c1 28629867 AXBCQDMSVMVPKG-UHFFFAOYSA-N 289.693 3.708 30 20 CHED COc1cc(C(=O)/C=C\c2cccc(C)c2)ccc1O 33474377 JQQQADFGQVKSIH-VURMDHGXSA-N 268.312 3.605 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 35255677 RZOWPSVCDLPUKL-LLVKDONJSA-N 267.288 3.640 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(C#N)c1 36173228 OIWMVSANUJDVDN-LBPRGKRZSA-N 282.318 3.515 30 20 CHED CCOc1cccc(CNc2ccc(C#N)cc2)c1 37678212 HTBQXEDGIQEZKI-UHFFFAOYSA-N 252.317 3.569 30 20 CHED COc1cc(C#N)ccc1OCCCOc1ccccc1C 41497342 NKOZULPMQMXCPG-UHFFFAOYSA-N 297.354 3.723 30 20 CHED CCCCC1CCC(C(=O)N(C)C[C@H](C)C#N)CC1 42460261 IAAMRYOVZNNCQR-WLYUNCDWSA-N 264.413 3.601 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccc(Cl)s1 44766487 JPNVPEQXPWNDGG-VIFPVBQESA-N 284.812 3.909 30 20 CHED O=C1/C(=C\c2ccnc3ccccc23)Oc2cc(O)ccc21 45008248 OEDNZAYZPQLHRI-RQZCQDPDSA-N 289.290 3.557 30 20 CHED C=C(Cl)CSc1ccc(C(F)(F)F)cn1 48398235 NEPICJDEOPQLMM-UHFFFAOYSA-N 253.676 3.945 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)c1cc2ccccc2o1 52753037 UZNDRDLFMQHKES-LBPRGKRZSA-N 282.343 3.694 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H]1c1ccccc1C 54972506 CFNMRKDBKFVKGV-OAHLLOKOSA-N 274.433 3.583 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cccc(C(F)(F)F)c1 57157947 CWGURJCUPGORMA-UHFFFAOYSA-N 285.309 3.673 30 20 CHED O=C1/C(=C/C2=Cc3ccccc3OC2)Cc2ccccc21 60330722 VDEIZDWHGULHES-MHWRWJLKSA-N 274.319 3.828 30 20 CHED CN(CCC#N)C(=O)C1(c2ccc(Cl)cc2)CCCC1 60617323 CKSZQJVHFPOEDW-UHFFFAOYSA-N 290.794 3.524 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccccc2F)cc1 60852021 FIMUAVXXBQYKKF-UHFFFAOYSA-N 282.318 3.695 30 20 CHED CCc1ccc([C@@H](C)Nc2ccnc(C#N)c2)cc1 61811788 YBSUFBMFIFCKBR-GFCCVEGCSA-N 251.333 3.689 30 20 CHED N#Cc1cccc(NC(=O)[C@H](c2ccccc2)C2CC2)c1 62159829 QKZJHLJUBCPKJZ-QGZVFWFLSA-N 276.339 3.691 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc2ccccc12 69311662 KFTVHBWUXJIFQS-ZDUSSCGKSA-N 269.344 3.760 30 20 CHED N#Cc1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1 70333905 PAEZUMAVDJUUOU-UHFFFAOYSA-N 287.706 3.561 30 20 CHED C[C@@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CCO1 70350658 KRAGFIPPULHMSW-MWLCHTKSSA-N 284.281 3.556 30 20 CHED N#CCSCCCNC1(c2ccc(F)cc2)CCCC1 72515908 VXMBNIZHEJLZCC-UHFFFAOYSA-N 292.423 3.831 30 20 CHED C[C@](O)(CNc1cc(Cl)ccc1C#N)c1ccsc1 77236578 DGKSWCRCAZPSQC-AWEZNQCLSA-N 292.791 3.593 30 20 CHED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CC=CC1 77743118 DDYFIBUASJMULK-LBPRGKRZSA-N 286.400 3.843 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CS[C@@H](C)c1cccs1 77960291 OXXVHVLURWINNV-SMDDNHRTSA-N 296.461 3.597 30 20 CHED Cc1ccc(C(=O)N(CC#N)C2CCCC2)cc1Cl 78003114 CAPYGSUINQIFAL-UHFFFAOYSA-N 276.767 3.557 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(OC(C)C)c(C)c1 78619083 KZZQKYQANNXFMN-UHFFFAOYSA-N 289.379 3.550 30 20 CHED N#CCSc1cccc(C(=O)NCC2CCCCC2)c1 79380857 OTDUIQRFZDUZEQ-UHFFFAOYSA-N 288.416 3.612 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)c2cc(C#N)cs2)c1 84182409 LESHFCYQQSRNNV-OAHLLOKOSA-N 296.395 3.906 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccc(Cl)s1 85441023 MVDHBRKKCIUWJH-PSASIEDQSA-N 284.812 3.559 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2Br)CS1 86935072 JRNGRXWEZZTKSE-PSASIEDQSA-N 297.221 3.627 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1c(F)cc(F)cc1F 86996744 KPZMRCAQHFVNQA-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@H]1CCC[C@H](CNc2ccc(OCC#N)cc2)C1 89604776 KCQIDAVUYAWPEH-KBPBESRZSA-N 258.365 3.827 30 20 CHED C[C@@H](N[C@H](C)c1ccc(F)cn1)c1cccc(C#N)c1 92765990 MPIDQOQCGNIAJS-VXGBXAGGSA-N 269.323 3.504 30 20 CHED CC1(CNCc2cc(C#N)cs2)Cc2ccccc2C1 93971138 GVGIZADWYRDBGZ-UHFFFAOYSA-N 282.412 3.514 30 20 CHED CC1(C)C[C@H](Nc2ccc(C#N)c(Cl)c2)C(C)(C)O1 94422951 IQLPPRVZMCUZPO-ZDUSSCGKSA-N 278.783 3.970 30 20 CHED COc1ccccc1C[C@H](C)N(CC#N)Cc1ccccc1 101560482 BXGPNRRRGDILSK-INIZCTEOSA-N 294.398 3.652 30 20 CHED C#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 115984025 YYXNSCJJGBXWEF-ZIAGYGMSSA-N 297.304 3.688 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@@H]1c1cccc(C)c1 116971714 XJBUEBQPHVTFSO-GOEBONIOSA-N 272.392 3.806 30 20 CHED CCN(C(=O)c1ccc(C#N)[nH]1)c1ccc2ccccc2c1 120062291 JWFNWHIJTPGFDK-UHFFFAOYSA-N 289.338 3.706 30 20 CHED Cc1nnc(Oc2ccc(Cl)c(F)c2)c(C#N)c1C 120627792 BYVOEVPHRKGBMK-UHFFFAOYSA-N 277.686 3.550 30 20 CHED N#Cc1ccc(CN(Cc2cccc(O)c2)CC2CC2)cc1 120639152 GTIVCSAHUXGARM-UHFFFAOYSA-N 292.382 3.676 30 20 CHED CCOc1ccc(NCc2cccc(C#N)c2)cc1F 121978013 GZYHVEUUHVIRGF-UHFFFAOYSA-N 270.307 3.708 30 20 CHED Cc1ccc(N/C(N)=N\Cc2nc(C(C)C)cs2)cc1 123681594 LXHSKFFJSZTFQR-UHFFFAOYSA-N 288.420 3.502 30 20 CHED CC[C@H](C(=O)Nc1cc(C#N)ccc1O)c1ccc(F)cc1 128119408 GGKHQVRIJCFECI-AWEZNQCLSA-N 298.317 3.535 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 128354745 LRYAWHVMGJZJEI-KGLIPLIRSA-N 295.386 3.683 30 20 CHED C#CCOc1ccccc1CNc1cccc(COCC)c1 128931999 HKMWBJGHDAKDOM-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C=CCC[C@H](C)NC1CCN(Cc2ccccc2)CC1 130507949 QXMMCNUHMNSVFX-INIZCTEOSA-N 272.436 3.595 30 20 CHED CC(C)Cc1ccc(CCCC(=O)N[C@@H](C)CC#N)cc1 134196650 SGTXOJHPVFAQQQ-HNNXBMFYSA-N 286.419 3.626 30 20 CHED C=CCCCN(C)C(=O)c1cc(CC)c(C)s1 135103819 RJXSHBULFLEFEN-UHFFFAOYSA-N 251.395 3.657 30 20 CHED N#Cc1ccc(CNCc2cccc(Cl)c2F)cc1 135236730 VCPLAYMJOMZOSA-UHFFFAOYSA-N 274.726 3.641 30 20 CHED CN(C[C@@H](C#N)CCC#N)c1ccc2ccccc2c1 152676919 QGTIMYCKAYNKOX-CQSZACIVSA-N 263.344 3.720 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 152964069 IYDKFAKCUJQCGB-INIZCTEOSA-N 285.391 3.991 30 20 CHED CCC[C@@H](C)C(=O)N[C@H](CCC#N)c1ccccc1 153372070 FMSXVNSREFOXEF-UKRRQHHQSA-N 258.365 3.584 30 20 CHED N#CCCN(Cc1ncc(-c2ccccc2)s1)CC1CC1 154257814 VVQBXIKMSRPOOC-UHFFFAOYSA-N 297.427 3.936 30 20 CHED C=CCCOCCN[C@@H](CC)c1ccc(F)cc1F 155622284 YROMWCJJBMZCQM-HNNXBMFYSA-N 269.335 3.598 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 157363687 YESSBFKYYQQBJZ-GFCCVEGCSA-N 289.404 3.588 30 20 CHED C[C@@H](C1CC1)N(C)Cc1cccc(OCCCC#N)c1 158049494 VWZUQINVLWOWNR-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C=C(Cl)COc1cc(Br)ccc1F 160209355 XPHNECXETVLQRK-UHFFFAOYSA-N 265.509 3.720 30 20 CHED C#C[C@H](C)OC(=O)c1cc(C(C)C)nc2ccccc12 162362028 TYAIXUYQRAFOBY-LBPRGKRZSA-N 267.328 3.537 30 20 CHED CCc1ncc(C(=O)N(CCC#N)c2ccc(C)cc2)s1 171029509 HHYMUGZPVCVQAT-UHFFFAOYSA-N 299.399 3.574 30 20 CHED CCn1cc(C(=O)/C=C/c2ccc3c(c2)CC(C)(C)O3)cn1 171510847 GSLWJJSJWDVHBR-FNORWQNLSA-N 296.370 3.513 30 20 CHED C=CC1CCN(C(=O)c2cccc(C(F)F)c2)CC1 171882736 JDVGFCIPODVSGN-UHFFFAOYSA-N 265.303 3.662 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(C#N)c1 172353943 DZQCGBDSELWNAS-XYPHTWIQSA-N 254.377 3.711 30 20 CHED CCCOc1ccccc1NCc1ccc(OC)c(C#N)c1 172688451 CIGYTIICSDQXII-UHFFFAOYSA-N 296.370 3.968 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 172812132 LGDDQZRMXJCPGO-BXUZGUMPSA-N 256.349 3.632 30 20 CHED CCCOc1ncccc1CN[C@@H](C)c1ccc(C#N)cc1 174004621 KRVCRAHJIBEDBT-AWEZNQCLSA-N 295.386 3.593 30 20 CHED CCC[C@@H](Cc1ccccc1)NCc1ccc(C#N)o1 174343412 FVYXHFAQCWKMCA-HNNXBMFYSA-N 268.360 3.652 30 20 CHED CCS[C@@H]1CC[C@H](N(C)C(=O)C2(C#N)CCCCC2)C1 174433427 BWSCTPUGMTULBY-UONOGXRCSA-N 294.464 3.593 30 20 CHED CCN(C[C@H](C)C#N)C(=O)[C@H](C)c1ccc(Cl)s1 175580514 KETMKCMLTYKCBX-NXEZZACHSA-N 284.812 3.513 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 177022272 VAHMPIJWECZVCC-LRDDRELGSA-N 288.416 3.873 30 20 CHED C=CCCCC(=O)N1CCSC[C@@H]1c1ccccc1 177861572 CLJBEIDHYFQVRW-OAHLLOKOSA-N 275.417 3.659 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccc(C)c(O)c2)cc1 180989766 SGQBHNYEODNLLU-UHFFFAOYSA-N 294.354 3.570 30 20 CHED C=C(C)CN(C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 181249600 ANSPDFGYFVEJJL-GFCCVEGCSA-N 289.354 3.753 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)CCc1ccccc1 181386813 UEXKGJJWJJQMJG-OAHLLOKOSA-N 274.408 3.615 30 20 CHED CC[C@@H](CC#N)NCc1csc(-c2ccc(C)cc2)n1 184096416 XZBOSZGKZPAFSE-AWEZNQCLSA-N 285.416 3.900 30 20 CHED N#Cc1ccc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)s1 185148902 LAISWMVFZZRFFN-WMLDXEAASA-N 298.411 3.630 30 20 CHED CC#CCCCC(=O)N[C@H](Cc1ccc(F)cc1)C(C)C 185726164 DRYFEHIJEFERRC-QGZVFWFLSA-N 289.394 3.703 30 20 CHED C=C(C)[C@H](NC(=O)N(C)CCC)c1ccc(F)c(F)c1 186144449 IALGJYQXKLUPMA-AWEZNQCLSA-N 282.334 3.633 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1cc(C)sc1C 188161777 XVTKUSVZQCPPEJ-LRDDRELGSA-N 295.448 3.771 30 20 CHED C[C@@H]1CCCc2ccccc2[C@H]1NCc1cc(C#N)n(C)c1 191602285 PRAAHEKROMGXCN-KUHUBIRLSA-N 293.414 3.700 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 192055538 SDBWDVGHZWYYRL-AWEZNQCLSA-N 269.388 3.546 30 20 CHED C#CCCCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 192130210 CVYNHKIVGKYCKW-OAHLLOKOSA-N 275.779 3.807 30 20 CHED C=CC1CCN(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1 192425476 ZKFMRIBSCQXIDO-UHFFFAOYSA-N 299.296 3.530 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(CCC)cc1 192724833 UFWGCUNGMRUZGB-UHFFFAOYSA-N 258.365 3.845 30 20 CHED CCCCCCCC(=O)NC1CCN(C(C)(C)C)CC1 194338091 FCAHGJSAWZWCCC-UHFFFAOYSA-N 282.472 3.726 30 20 CHED CC(C)(CCC#N)COC(=O)CCc1ccc2[nH]ccc2c1 195087434 YLQKRVZGTAAKLH-UHFFFAOYSA-N 298.386 3.974 30 20 CHED C=CCOc1ccccc1C(=O)NC[C@@H]1CCC[C@H](C)C1 195622269 VLLOONIOXWBFPE-LSDHHAIUSA-N 287.403 3.808 30 20 CHED C=CCSCCN[C@H](CC)c1ccc(F)cc1 221945934 GQWZQCRBTURDHA-CQSZACIVSA-N 253.386 3.786 30 20 CHED Cc1cc(C#N)ccc1COc1cnc2ccccc2c1 228035630 RTDBMJVGHXUQNP-UHFFFAOYSA-N 274.323 3.994 30 20 CHED Cn1cc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)cc1C#N 232314129 RNRFLGAUJPCROE-HZPDHXFCSA-N 273.424 3.591 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCCC2=CCCCC2)cc1 237694966 VMFVKHWIOPYAJX-HNNXBMFYSA-N 284.403 3.958 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 247535774 OREARRJUEUIZKP-DNVCBOLYSA-N 292.382 3.520 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(CC#N)c2ccccc2)CC1 251923777 SNYWKWNBWYKLMX-SHTZXODSSA-N 270.376 3.760 30 20 CHED CC(C)Oc1cccc(/C=C\c2ccc(C#N)cn2)c1 255548898 BBXHXEBGGPJYIJ-VURMDHGXSA-N 264.328 3.911 30 20 CHED C=C1CCN(C(=O)c2ccccc2SC(C)C)CC1 264162070 KIFCTMYXVZOCBS-UHFFFAOYSA-N 275.417 3.979 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 268466125 VJMNITABAHEONB-NFAWXSAZSA-N 270.376 3.562 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc(Cl)cc1)C1CC1 271404793 MAMNYJLDEJKLHT-LLVKDONJSA-N 278.783 3.761 30 20 CHED C=CCN(C(=O)N[C@H](C)c1c(F)cccc1Cl)C1CC1 271615977 XPTGISAYIBNKMZ-SNVBAGLBSA-N 296.773 3.900 30 20 CHED CCCCCCCCCNC(=O)NCc1ncoc1C 271716409 XAMJEKQTDYJBPW-UHFFFAOYSA-N 281.400 3.533 30 20 CHED C=CCCCC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273272899 JTDAFDOXPVUOKG-CVEARBPZSA-N 291.366 3.518 30 20 CHED C=CCCN(C)[C@H](C)C(=O)Nc1ccccc1C(C)C 276356529 FBRDGTWBMGDFIJ-CQSZACIVSA-N 274.408 3.645 30 20 CHED C=CCCN(C)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 276380797 LONKWALSXGGBEW-QWRGUYRKSA-N 281.758 3.617 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 278988654 JFBZOEZKUGMADE-IVZWLZJFSA-N 269.797 3.586 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(CCC#N)Cc1ccccn1 280457349 GWNVQKBSKQILFI-WBVHZDCISA-N 299.418 3.540 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 281291264 IJORGCADZJUXKA-TUAOUCFPSA-N 297.320 3.678 30 20 CHED C=C(Cl)CN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 282956123 CFRQPJMKYSSLIS-LSDHHAIUSA-N 293.794 3.510 30 20 CHED Cc1cc(OCc2nc(C)c(C)o2)c(C)c(C)c1C#N 285116854 JPWGSLKOOSQSKZ-UHFFFAOYSA-N 270.332 3.667 30 20 CHED CCOC1(C(=O)O[C@H](C)c2ccc(C#N)cc2)CCCC1 285593393 XEONKPZHACNEFN-CYBMUJFWSA-N 287.359 3.512 30 20 CHED CC[C@@H]1CCCCN1C(=O)c1cc(C#N)ccc1Cl 285981973 FIZMBULMITVPAN-GFCCVEGCSA-N 276.767 3.616 30 20 CHED C#CCCCCC(=O)N1CCCn2c(cc3ccccc32)C1 287176435 OMCYSMMNTLHVSJ-UHFFFAOYSA-N 294.398 3.567 30 20 CHED CC[C@@H](NCCCCC#N)c1cccc(Cl)c1O 287765988 RFWKCIFRAKDGJG-CYBMUJFWSA-N 266.772 3.780 30 20 CHED COc1ccccc1[C@H](C)Sc1nnc(C)c(C)c1C#N 288539164 VAQVCRIYIFGHGX-LBPRGKRZSA-N 299.399 3.827 30 20 CHED C=C[C@@](C)(CC)c1nc(COCc2ccccc2)no1 289076301 ZWXQENWMQKYNQN-INIZCTEOSA-N 272.348 3.640 30 20 CHED C[C@H]1CN(c2cc(Cl)ccc2C#N)CCC1(F)F 291066397 GKQLENAPGZDKJP-VIFPVBQESA-N 270.710 3.693 30 20 CHED N#CCCCC(=O)Oc1cccc(Cl)c1Cl 291249405 VUXNAPMYLOXGMF-UHFFFAOYSA-N 258.104 3.593 30 20 CHED C[C@H](C#N)CN(C)c1nc(-c2ccccc2F)cs1 292922276 ZKYGIMVBCWCVFT-SNVBAGLBSA-N 275.352 3.545 30 20 CHED C=CCC(C)(C)C(=O)NCc1cccc(OCC(F)F)c1 293149930 UDCMPPBHJSCYAO-UHFFFAOYSA-N 297.345 3.549 30 20 CHED CC1(c2ccccc2)CCN([C@@H]2CC[C@H](C#N)C2)CC1 293890696 VCZJNCACLZVGNA-DOTOQJQBSA-N 268.404 3.732 30 20 CHED Cc1sccc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 298601121 QJLVDQDJXSWMAX-UHFFFAOYSA-N 287.388 3.737 30 20 CHED N#Cc1ccc(NC2CCN(C3CCCC3)CC2)c(F)c1 301521003 GVLXAMOHMKYAGC-UHFFFAOYSA-N 287.382 3.516 30 20 CHED Cc1ccc2c(c1)CCN(c1snc(Cl)c1C#N)C2 302740360 YRNDXOOLROARTB-UHFFFAOYSA-N 289.791 3.539 30 20 CHED CCc1cccc(N/C(N)=N/C[C@@H](C)c2ccccc2)c1 303782187 MVCXVAHWJFSWSH-CQSZACIVSA-N 281.403 3.779 30 20 CHED N/C(=N\CC1(c2cccc(Cl)c2)CC1)Nc1ccccc1 304295190 MXPVBPFAXMHDOH-UHFFFAOYSA-N 299.805 3.798 30 20 CHED Cc1cc(C#N)ccc1CSC1(CO)CCCCC1 312966265 FXLGPIURWPMADC-UHFFFAOYSA-N 275.417 3.795 30 20 CHED CCOc1cc(C#N)ccc1OCCc1ccc(OC)cc1 315708561 HCBFCZUYRWPQGH-UHFFFAOYSA-N 297.354 3.587 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)C(C1CCC1)C1CCC1 328611340 OJNXJSHUIPGPAO-KBPBESRZSA-N 260.381 3.852 30 20 CHED CCc1nc(N=C(O)c2ncoc2C2CC2)sc1C 328866747 WWIPDMADEPVFKW-UHFFFAOYSA-N 277.349 3.516 30 20 CHED Cc1sc(N=C(O)[C@H]2CCC(=O)[C@@H](C)C2)c(C#N)c1C 329349677 DCZWTXMHXSNYCP-KWQFWETISA-N 290.388 3.830 30 20 CHED Cc1ccc(N=C(O)N2C[C@@H]3CCC[C@@H]32)cc1-c1ncco1 330136964 UPDQYIXUESOJDC-WFASDCNBSA-N 297.358 3.680 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)N(CCC#N)Cc2ccco2)C1 330520826 IPRLTFHPMHDFDN-LSDHHAIUSA-N 288.391 3.738 30 20 CHED CC(=O)c1cc(/C(O)=N/[C@H]2CCCC2(C)C)c(C)nc1C 331167756 YSLYZHZGDDNZJP-HNNXBMFYSA-N 288.391 3.784 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H](C)C#N)cc1 334305288 GJHHVRKRTZETKO-CJNGLKHVSA-N 270.376 3.633 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc12 336029337 MGCYLQQDHYUWAZ-QWRGUYRKSA-N 286.762 3.830 30 20 CHED Cc1cccc(-c2nnc(S[C@@H]3CC[C@@H](C#N)C3)n2C)c1 336261469 JILBHFRGLSRQLQ-TZMCWYRMSA-N 298.415 3.575 30 20 CHED Cc1ccc(Cl)cc1C(=O)N(C1CC1)C1(C#N)CCC1 336617002 RIHXAJWDRULNRF-UHFFFAOYSA-N 288.778 3.699 30 20 CHED N#Cc1cc(Br)ccc1CSCCCF 342024791 SMDPURWEKUIKET-UHFFFAOYSA-N 288.185 3.914 30 20 CHED N#Cc1ccnc(NCCCNc2ccccc2)c1Cl 342092655 LROLPVJCOGOURD-UHFFFAOYSA-N 286.766 3.521 30 20 CHED CCCC[C@@H](NCC1(C#N)CC1)c1ccc(OC)cc1 343562349 KFRFJUMXJRWOSX-MRXNPFEDSA-N 272.392 3.820 30 20 CHED N#Cc1cc(F)ccc1CN(Cc1ccccc1)C1CC1 343720833 KQTWOVNXNVETFC-UHFFFAOYSA-N 280.346 3.862 30 20 CHED C=CCC1(C(=O)Nc2cc(C#N)c3ccccc3n2)CCC1 345006465 DXZQHFYTUDPLMD-UHFFFAOYSA-N 291.354 3.791 30 20 CHED Cc1ccnc2ccc(C(=O)NCC(C)(C)CCC#N)cc12 345991985 JQJOTTYRUKXNRW-UHFFFAOYSA-N 295.386 3.603 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccsc1 346903345 VTFGPLHBMNCVOD-LLVKDONJSA-N 299.399 3.794 30 20 CHED N#CCC[C@H](N[C@@H]1CC[C@H]1C1CC1)c1ccccc1 348395896 LLQVDHKQQVFZMS-YESZJQIVSA-N 254.377 3.810 30 20 CHED C=C(C)CCc1noc(-c2cn(-c3ccccc3)nc2C)n1 351609437 UNCICHGKYBJFEP-UHFFFAOYSA-N 294.358 3.739 30 20 CHED C=C(C)CCc1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 351622808 FMQUQLLPLLDXRL-UHFFFAOYSA-N 298.302 3.635 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(C2=CCCC2)cc1 352169463 XMXXZDXDTRMBFS-GOSISDBHSA-N 282.387 3.922 30 20 CHED CCC1(CC)CCN(C(=O)c2cc(C#N)ccc2Cl)C1 353935719 VQEULWWAQGLVCB-UHFFFAOYSA-N 290.794 3.864 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1cc[nH]c1C(C)C 354076990 BFJJAFQKFCCZME-UHFFFAOYSA-N 296.374 3.694 30 20 CHED Cc1[nH]ccc(=N[C@H](CCC#N)c2ccccc2)c1Cl 355092418 JYHFPRWWPAUNHK-CQSZACIVSA-N 285.778 3.922 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2cccc(C#N)c2)C1 355298309 IWQKVYPEBIGHOS-IMRBUKKESA-N 256.349 3.569 30 20 CHED C[C@H]1CC(C(=O)Nc2cccc(C#N)c2)C[C@H](C)C1 355298311 IWQKVYPEBIGHOS-VXGBXAGGSA-N 256.349 3.569 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](OC)[C@@H](C)CC)c1ccccc1 356519281 MIJWEFLNBKLKIA-XIRDDKMYSA-N 289.419 3.871 30 20 CHED C=CCC(CC=C)C(=O)N(CC)[C@@H](C)C(F)(F)F 357875004 KARXCPLBCOWQQP-JTQLQIEISA-N 263.303 3.554 30 20 CHED Cc1cc(C)n(CCS[C@H](C)c2ccc(C#N)cc2)n1 360458936 INOMXPUCYPAMNT-CQSZACIVSA-N 285.416 3.866 30 20 CHED C=CCNC(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C 362127653 AWTFXADYSPQETA-UHFFFAOYSA-N 298.390 3.612 30 20 CHED CC(C)(C#N)CCCN1CC[C@@]2(CCc3ccccc3O2)C1 377641773 AVLZOACWJZNPSJ-IBGZPJMESA-N 298.430 3.786 30 20 CHED CN(CCNc1ccc(C#N)c(Cl)c1)Cc1ccccc1 386806208 QZTHSYOMQVGBNK-UHFFFAOYSA-N 299.805 3.756 30 20 CHED CCCC1(CNc2c(C#N)nnc3ccccc23)CCC1 391922050 XBZSRSYCUGDAOK-UHFFFAOYSA-N 280.375 3.884 30 20 CHED N#CC1(CSc2ccc(Cl)cn2)CCCC1 405156429 KKKDTMDWGKHAMB-UHFFFAOYSA-N 252.770 3.911 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1 410128430 SFARVJFCVHLOBJ-SWLSCSKDSA-N 279.811 3.990 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)CCC(C)(C)c1ccccc1 410824677 DBWTWWOICCVMFA-INIZCTEOSA-N 286.419 3.895 30 20 CHED CC(C)(C)C(C)(C)C(=O)Nc1cnc(C#N)c(Cl)c1 411032076 NBQMGMMFBXQQAF-UHFFFAOYSA-N 279.771 3.617 30 20 CHED CCN(Cc1ccccc1Br)[C@H](C)CCC#N 411670918 GWSGFQUBWBLMLX-GFCCVEGCSA-N 295.224 3.963 30 20 CHED N#CC1(CCN2C[C@@H](O)C[C@H]2c2ccccc2)CCCCC1 411925842 OEWABVCOVKCASS-ROUUACIJSA-N 298.430 3.658 30 20 CHED N#CCCSCc1nn(-c2ccccc2)c2c1CCC2 413010232 FZAOXAUWTVHLKQ-UHFFFAOYSA-N 283.400 3.508 30 20 CHED CC(C)(CC#N)CNc1ccc([N+](=O)[O-])cc1Cl 413399745 BKZHCZNPENTISN-UHFFFAOYSA-N 267.716 3.600 30 20 CHED N#CC1(COc2cc(Cl)cc3cccnc23)CCC1 418961970 KLHYERACPDJOCJ-UHFFFAOYSA-N 272.735 3.961 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cccc(-c2cnco2)c1 424596600 PAOXWWIWUUFSHW-UHFFFAOYSA-N 270.332 3.882 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccccc1C(F)F 425651132 UMIQTALDIJEGDN-ZDUSSCGKSA-N 252.264 3.503 30 20 CHED C=CCN(C)Cc1cc(C(F)(F)F)ccc1Cl 428377163 XEPPEDHOPUSGTI-UHFFFAOYSA-N 263.690 3.977 30 20 CHED CN(Cc1ccc(F)c(F)c1)c1nccc(C#N)c1Cl 429185352 DBNUBRHDYATFNR-UHFFFAOYSA-N 293.704 3.521 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1c(C#N)cccc1C#N 436357095 CPUYVIUSIIOMCC-PTNGSMBKSA-N 287.366 3.970 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1O 436727980 GIHIVHKXPOXKQL-HNNXBMFYSA-N 281.355 3.726 30 20 CHED C[C@@H]1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 437068830 KZWGWAQVEXTFJY-PVUWLOKVSA-N 254.377 3.714 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 437361381 ZHHQKOBQMGLKST-WNMQOVRZSA-N 297.320 3.678 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc(C#N)cs1 437553424 DYPBPGFKJDIHNV-DGCLKSJQSA-N 276.405 3.566 30 20 CHED Cc1ccnc2[nH]c(S[C@@H](C)c3ccc(C#N)cc3)nc12 439277990 VZKKTLIWDOCHSC-NSHDSACASA-N 294.383 3.991 30 20 CHED CCN(CC#N)Cc1ccc(-c2cccs2)cc1 444603172 QMAYTFYRGWYZRG-UHFFFAOYSA-N 256.374 3.761 30 20 CHED C=CC[C@@H]1N(Cc2nnc(C)n2CCC)CCCC1(C)C 444777495 FUHPDSYFHFXHBG-HNNXBMFYSA-N 290.455 3.563 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C)c2c1CCC2 448685553 ZSXPPODUGISVTB-UHFFFAOYSA-N 257.377 3.522 30 20 CHED C=CC(C)(C)C(=O)NCC1(c2ccc(F)cc2)CCC1 448847107 KCTREKMJRMGQDU-UHFFFAOYSA-N 275.367 3.576 30 20 CHED C[C@@H](CNc1cccc(CC#N)c1)CC1CCOCC1 449705657 YOUSINVYUOPVDO-CQSZACIVSA-N 272.392 3.617 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 449952938 XIEWXTLUYZVRCA-GDBMZVCRSA-N 271.404 3.851 30 20 CHED C=CCC1(C(=O)Nc2cc(C)ns2)CCCC1 450027962 MIKUKFPULUYTSV-UHFFFAOYSA-N 250.367 3.527 30 20 CHED CCC1(CC)CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 450773722 ROIQMSCWRJKOPN-GOSISDBHSA-N 288.435 3.889 30 20 CHED CCC1(NC(=O)C[C@@H](CC#N)c2ccccc2)CCCC1 452945164 FDXWHJJWSDPBIV-MRXNPFEDSA-N 284.403 3.913 30 20 CHED C=CCCc1noc(Cc2ccccc2OC(C)C)n1 453249872 VYRIXMDPHFSERI-UHFFFAOYSA-N 272.348 3.566 30 20 CHED CCC1(NC(=O)Nc2ccc(CC#N)cc2Cl)CCC1 455697649 DXTJCZRTBPKVKI-UHFFFAOYSA-N 291.782 3.860 30 20 CHED N#CCCNC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 458733335 XMYYUPHCZIHGJI-INIZCTEOSA-N 297.402 3.617 30 20 CHED CC(C)(CC#N)CNCc1cccc(-c2ccncc2)c1 459736975 VJKLTHGFBVFTTR-UHFFFAOYSA-N 279.387 3.778 30 20 CHED C[C@H](C(=O)NCCCC1CCCC1)c1cccc(C#N)c1 461894210 LJKYCFNCDCHRPM-AWEZNQCLSA-N 284.403 3.748 30 20 CHED CC#CCCN(C)[C@H](C)c1ccccc1Br 462327969 ZSZJRLQESRWAFS-GFCCVEGCSA-N 280.209 3.855 30 20 CHED C[C@H](C(=O)N1CC[C@@H](C)C(C)(C)C1)c1cccc(C#N)c1 462582553 UPRHYUQIQLTWEY-KGLIPLIRSA-N 284.403 3.556 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc(C)c1F 464163808 WSOYKRWJUCABLP-MRXNPFEDSA-N 276.355 3.501 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1cc(Cl)cc(Cl)c1 464707093 GLUPDSWVGJZXLJ-NSHDSACASA-N 285.174 3.661 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 465262450 RBPHEEHWKVPRLY-CQSZACIVSA-N 287.407 3.619 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CC)C(C)(C)c1ccccc1 465288576 ZAWHGHDEVBJBHD-HIFRSBDPSA-N 274.408 3.617 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](CC)CC=C 466396328 OURSJOCXWGISNA-CQSZACIVSA-N 252.402 3.729 30 20 CHED C=CCCN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1 466639139 AAFWQMDQGVZPAC-QGZVFWFLSA-N 287.403 3.721 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 466981876 XAONHIPBEXVZDR-QLFBSQMISA-N 264.413 3.563 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1ccccc1N(C)C 467436387 OPIFLQXWMJWYCJ-OAHLLOKOSA-N 293.414 3.518 30 20 CHED C=CCCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 468376441 CUZJYUDDJUHXNK-GHMZBOCLSA-N 281.758 3.665 30 20 CHED C=CCCCCNC(=O)[C@@H](CC)OC1CCCCC1 471716849 XSUFZQSDRDZLLO-OAHLLOKOSA-N 267.413 3.587 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2c(F)cccc2F)CCC1 478096655 NOXGYULIRPJGKH-NSHDSACASA-N 279.330 3.888 30 20 CHED Cn1cc(CN2C[C@H](c3ccccc3)C(C)(C)C2)cc1C#N 483248340 FCLZWDHNTGMRKR-GOSISDBHSA-N 293.414 3.522 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(CC#N)c1ccccc1 483414969 WAXGRRAPZZQYKY-ZBFHGGJFSA-N 270.376 3.760 30 20 CHED COc1cc(/C=C/c2ncccc2C#N)ccc1SC 486076317 KPNVPQJBJATTDT-FNORWQNLSA-N 282.368 3.854 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)s1 486809573 GBVDUGAGWUKBMG-STQMWFEESA-N 290.432 3.954 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCOc1cc(C)cc(C)c1 488848613 CEYODOQSXQPLCK-MRXNPFEDSA-N 287.403 3.639 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1cccc(F)c1 488867095 MSGXZRNGRVRVTM-BBRMVZONSA-N 275.367 3.571 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1cccc(SCC)c1 490298325 ICWDCMWFPYWGDL-CQSZACIVSA-N 292.448 3.953 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(-c2nc(C)co2)c1 491219683 GRSIFLQFHHRYFS-CQSZACIVSA-N 297.358 3.573 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@@](C)(F)C3)c2c1 499671743 QBSDAKTZIITEJI-QGZVFWFLSA-N 283.350 3.662 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)CCCC1(C#N)CCOCC1 499701467 BMRGNJXHRBKRAY-SJORKVTESA-N 292.467 3.988 30 20 CHED C=CCN(CCOc1ccccc1)Cc1ccccc1 502310174 PJYNNANPZIHKQM-UHFFFAOYSA-N 267.372 3.754 30 20 CHED C=CCOc1ccc(CN2CCCC[C@@H]2C)cc1OC 505899430 WORPSCAJEIBRBE-AWEZNQCLSA-N 275.392 3.634 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](C)C(C)(F)F)CCCC1(C)C 508073011 IFSHSPXOJQJINF-RYUDHWBXSA-N 273.367 3.871 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(C)C)C1 508871826 GOUAPAJLQWNNAT-GJZGRUSLSA-N 290.455 3.850 30 20 CHED C=C(C)CCN(C)[C@H]1CCCN(c2ccccc2)C1 509657608 KWVQYSOGMKHTMS-KRWDZBQOSA-N 258.409 3.553 30 20 CHED C/C(Cl)=C\CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 528392954 HMVYOHLKUBCJTO-FKZVYCBESA-N 274.795 3.901 30 20 CHED N#Cc1ccc(F)c(CNC2(c3ccc(F)cc3)CC2)c1 532722068 YPNUEZYGJKXHOC-UHFFFAOYSA-N 284.309 3.615 30 20 CHED O=c1c2ccccc2sn1CC#Cc1cccc(Cl)c1 533331330 DQSOIJTXLSENFU-UHFFFAOYSA-N 299.782 3.768 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](c1cccs1)C1CC1)OCC 533702352 DPLLODDIYMRLBH-BBRMVZONSA-N 293.432 3.687 30 20 CHED CC(C)(C)c1ccc(CC(=O)NC2(C#N)CCCCC2)cc1 535325538 KACHIYVJZNOGDL-UHFFFAOYSA-N 298.430 3.869 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CCCc2ccccc21 537228028 ABCKHWSVCYXRCD-YOEHRIQHSA-N 271.404 3.968 30 20 CHED C=CCOc1cccc(CN=c2cc(C)n([C@@H](C)CC)[nH]2)c1 538488633 OFZQCTMIBMJKMY-AWEZNQCLSA-N 299.418 3.761 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1C[C@H](C)CC1(C)C 539477317 ZVCGHBLLHCLFAS-CHWSQXEVSA-N 252.402 3.561 30 20 CHED C[C@H](N[C@H]1C[C@H]1Cc1ccccc1)c1ccc(C#N)cc1 539509336 YHVXCGNFANAREL-KYNGSXCRSA-N 276.383 3.840 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 540396553 JNNQAOZXQXHFOD-NWDGAFQWSA-N 287.325 3.541 30 20 CHED C=CCN1CC[C@H](Nc2cc(Cl)c(C)c(Cl)c2)C1=O 540809339 DWPJXRYVIFIAQY-ZDUSSCGKSA-N 299.201 3.501 30 20 CHED C=CCOc1cccc(CN(C)CCc2ccccc2O)c1 541551659 PHSMKLKYLVSRJZ-UHFFFAOYSA-N 297.398 3.632 30 20 CHED Cc1cc(C(F)(F)F)nc(Sc2ccc(C#N)cc2)n1 543438316 LSPIRYQATCBQQU-UHFFFAOYSA-N 295.289 3.827 30 20 CHED C=CCC[C@H](N[C@H](CO)Cc1ccc(C)cc1)c1ccco1 552283880 LSCLDPGSJAGTGA-ROUUACIJSA-N 299.414 3.789 30 20 CHED C=CCC[C@H](NCc1ncccc1O)c1ccccc1 564301207 IPKRASWEZXTUMQ-HNNXBMFYSA-N 268.360 3.584 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CN2CCCC(C)(C)[C@H]2C#N)o1 566953732 AMCXVCOBJOQJRI-IVMMDQJWSA-N 272.392 3.917 30 20 CHED CC(C)c1ccc(CNC(=O)c2ccc(F)c(C#N)c2)cc1 584341942 WEOWTHSMROJTSB-UHFFFAOYSA-N 296.345 3.751 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]2C[C@@H]21 588065919 FOMXBHYOOZXTFU-RNCFNFMXSA-N 266.266 3.566 30 20 CHED Cc1csc(NC(=O)Cc2c(C)cccc2C)c1C#N 589035522 XLFISGDMLOPZTF-UHFFFAOYSA-N 284.384 3.726 30 20 CHED Cc1cc(C#N)ccc1CN1CCC=C(c2cccnc2)C1 590741871 SLHBYDPFTXHHKP-UHFFFAOYSA-N 289.382 3.551 30 20 CHED Cc1cccc2sc(C(=O)N(C)[C@@H](C)C#N)c(Cl)c12 590994161 MJMGIKHXLWFHOM-VIFPVBQESA-N 292.791 3.847 30 20 CHED N#CC1(CCCSCC2=CCCC2)CCOCC1 592461088 PPOUXSYANHAYAZ-UHFFFAOYSA-N 265.422 3.930 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N(C)c1ccc(C#N)nc1 593274149 UHZNPBCTITWVHA-HNNXBMFYSA-N 299.418 3.913 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)[C@@H](C#N)CC 593731630 FQUCNVIEAJDYAS-UONOGXRCSA-N 252.402 3.744 30 20 CHED CC(C)[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 595431274 OHJGWFLGFGDXMY-NVXWUHKLSA-N 299.418 3.719 30 20 CHED CC1(C)CO[C@H](c2cccc(F)c2)CN1CCCCC#N 595758911 KIOIYCXFKSXLHS-INIZCTEOSA-N 290.382 3.671 30 20 CHED CC(C)(CC#N)CNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 597761595 SEEDYJBIGQAWOU-IRXDYDNUSA-N 298.430 3.701 30 20 CHED CCN(C(=O)c1ccc(C2CCCC2)cc1)[C@@H](C)C#N 598363976 XROISZYJYHFUMZ-ZDUSSCGKSA-N 270.376 3.718 30 20 CHED CCCC[C@H](C(=O)N1CCC(C)(C#N)CC1)C(C)C 598693328 BZJGMWUCWFOUHR-AWEZNQCLSA-N 264.413 3.601 30 20 CHED C[C@@H](CSC[C@@H](O)CC(C)(C)C#N)c1ccccc1 598700587 CTBSPULUUWERMK-ZFWWWQNUSA-N 277.433 3.824 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccsc2C(F)(F)F)C1 600145938 SHJYXZLAVGFMEP-GFCCVEGCSA-N 288.338 3.893 30 20 CHED CSc1cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)co1 601180214 KCZRZEFXEITKCP-HNNXBMFYSA-N 292.404 3.594 30 20 CHED CCC(CC)(CC)CNC(=O)c1ccccc1CC#N 601313557 SITGYBVAWQPNTA-UHFFFAOYSA-N 272.392 3.699 30 20 CHED C[C@H](CCC#N)CN1Cc2ccccc2C(C)(C)C1 602469812 FCTDRTWWXTZRIW-CQSZACIVSA-N 256.393 3.720 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@H]1NCc1cccc(C#N)n1 602563969 KBDDWBFMAGJDLS-SGTLLEGYSA-N 295.361 3.506 30 20 CHED CCc1cc(C#N)c(NC(=O)CCC(C)(F)F)s1 604029313 ONPHROSZMPAVQZ-UHFFFAOYSA-N 272.320 3.556 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 610239447 CRELKTVZKOQQJE-MNOVXSKESA-N 298.308 3.617 30 20 CHED C[C@H](NC(=O)NC[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 610355627 AWNLSOZIJWETGD-GRDNDAEWSA-N 299.418 3.745 30 20 CHED COc1ccc(CN2CCCc3sccc3C2)cc1C#N 610992826 MQWHMIAFJBUWRS-UHFFFAOYSA-N 298.411 3.577 30 20 CHED CCc1ccc([C@@H](C)C(=O)N2CCC(CC#N)CC2)cc1 611675401 ZYHQNTVYDUWZIQ-CQSZACIVSA-N 284.403 3.505 30 20 CHED CC[C@H](N[C@@H](C)c1c(C)noc1C)c1ccc(C#N)cc1 618567974 BCUALCFULDZUGE-ZBEGNZNMSA-N 283.375 3.965 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1C[C@@H]1c1ccccc1 618741612 HCLOKINRNBDTBL-SXLOBPIMSA-N 288.394 3.939 30 20 CHED C=CCN(C(=O)c1ccc(Cl)s1)C(C)(C)C 622943186 RGGSQLAIQAWWPC-UHFFFAOYSA-N 257.786 3.828 30 20 CHED CC#CCCCC(=O)N(c1cccc(F)c1)C(C)C 622971388 ONEPBLKGXROZHV-UHFFFAOYSA-N 261.340 3.761 30 20 CHED C=C(CNC(=O)NC1(C(F)F)CCCC1)c1ccccc1 643015511 OOTAIFWMMVMYIB-UHFFFAOYSA-N 294.345 3.577 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](OC)CC2)CCCCC1 649371873 HVRLNGFYYAYBAQ-OAHLLOKOSA-N 279.424 3.541 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 656760497 VOWDHHPFMJFZTM-ZDUSSCGKSA-N 299.370 3.919 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H](C)c1nccs1 657974262 NOZPVGQAASJVDS-MJBXVCDLSA-N 264.438 3.971 30 20 CHED C=CCC1(NC(=O)Nc2ccccc2COC)CCCC1 665560080 ZXROOOWQFAALSY-UHFFFAOYSA-N 288.391 3.843 30 20 CHED C=CCCNC(=O)N1CCC[C@]1(C)Cc1ccccc1F 665940404 AWFABIOOTCTLAD-QGZVFWFLSA-N 290.382 3.508 30 20 CHED C=CCCNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 665947465 NJKXBDORIYPYEJ-UHFFFAOYSA-N 287.363 3.823 30 20 CHED C=C(CNC(=O)[C@@H]1C[C@@H]1c1sccc1C)c1ccccc1 672478222 MCOKINDIYNEDQK-JKSUJKDBSA-N 297.423 3.990 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)c2ccccc12 673237610 IXFWCAWVEGCSRK-VXGBXAGGSA-N 286.350 3.914 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC(F)(F)C2)c1 675686713 GRBBZWHRJAUTCY-LBPRGKRZSA-N 296.317 3.561 30 20 CHED C=CCn1c(C2CC2)nnc1N1CC(C)(C)c2ccccc21 685532294 OWWJOQQUWMHUGI-UHFFFAOYSA-N 294.402 3.771 30 20 CHED COc1ccc(N[C@H](C)CC(C)(C)C#N)cc1F 695789179 VJPWNLKIHYZYNQ-SNVBAGLBSA-N 250.317 3.575 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CCc1cccs1 701317512 JQYDGLIQLZIMOG-UHFFFAOYSA-N 290.775 3.844 30 20 CHED CC(C)CN(CCC#N)C(=O)/C=C\c1ccc(Cl)cc1 706052552 DIJRFISMQYWPRP-TWGQIWQCSA-N 290.794 3.751 30 20 CHED COC(=O)c1ccc(/C=C2/Cc3c(C)cccc3C2=O)cc1 729151737 XARZWLQOHFXFMT-GDNBJRDFSA-N 292.334 3.604 30 20 CHED C=CCOC(=O)C1(c2ccc(C)c(OC)c2)CCCC1 731084993 OVPQYJZPJOYEKL-UHFFFAOYSA-N 274.360 3.545 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc(F)cc2)o1 732762095 SHLWODJVWNNMNI-YGRLFVJLSA-N 258.296 3.988 30 20 CHED CCCCCCCCCNC(=O)C1CCSCC1 732952835 LWIOGRSLABLDDA-UHFFFAOYSA-N 271.470 3.996 30 20 CHED C=C(Cl)CN(Cc1ccccc1O)C1CCCC1 733613856 OEKWRVFBFIMRSP-UHFFFAOYSA-N 265.784 3.889 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2c(F)cccc2s1 735067601 LSFQMNOMZMSQSI-SECBINFHSA-N 263.337 3.735 30 20 CHED CC[C@H](C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739600488 YTFHYEWYNXULRQ-LBPRGKRZSA-N 298.411 3.949 30 20 CHED COCC(=NNc1nc(-c2ccccc2)cs1)C(C)C 741454958 ISQKATAVKUTCBJ-UHFFFAOYSA-N 289.404 3.880 30 20 CHED N#Cc1ccc(F)c(CNCc2cc3ccccc3o2)c1 742381804 KKEDBCKSZZIYHR-UHFFFAOYSA-N 280.302 3.733 30 20 CHED C#CCN(C(=O)/C=C(/C)C(C)(C)C)C1CCCCC1 742592092 GKUHLUYZYNWBEN-YPKPFQOOSA-N 261.409 3.773 30 20 CHED C=CCOC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 744042176 KQOSDBZBQRGYTF-SNVBAGLBSA-N 272.266 3.928 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Sc1ccc(OC)cc1 744304318 LCHBGEYYABQGHY-LBPRGKRZSA-N 280.389 3.685 30 20 CHED C#CCN(Cc1cccc(Cl)n1)[C@H]1CCc2ccccc21 744388422 PANVETZKGAHXMH-KRWDZBQOSA-N 296.801 3.858 30 20 CHED CCCCCCCC(=O)N[C@@H](CC)C1CCOCC1 746361970 JMAKMICWLKJDIL-HNNXBMFYSA-N 269.429 3.668 30 20 CHED N#Cc1ccc(OCCCN2CC[C@H]2c2ccccc2)cc1 748818986 ACQVVGJVJAOGJE-IBGZPJMESA-N 292.382 3.774 30 20 CHED Cc1cc(C)c(NN=Cc2cc(O)ccc2[N+](=O)[O-])c(C)c1 751132841 KEQLEQZMFPTNHL-UHFFFAOYSA-N 299.330 3.672 30 20 CHED CCN(C(=O)C(C)=C(C)C)[C@@H](C)c1ccc(C#N)cc1 751192841 RTCHBCPSIRBNHR-AWEZNQCLSA-N 270.376 3.824 30 20 CHED C[C@@H](CC=NNc1ccccc1C(=O)O)c1ccccc1 755602225 UKGSQHLVKVVFLR-ZDUSSCGKSA-N 282.343 3.976 30 20 CHED Cn1cc(C=NNc2cccc(F)c2)c2ccccc21 755661129 FBIYWATVCDCTDN-UHFFFAOYSA-N 267.307 3.763 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)OCC1(CC#N)CC1 755706002 HIUPTPOXFHVRRJ-GFCCVEGCSA-N 251.370 3.686 30 20 CHED COc1ccc([C@H](C)C(C)=NO[C@H]2CCCCO2)cc1 755820539 WNWIRLLGLAIOAS-WBMJQRKESA-N 277.364 3.718 30 20 CHED Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 756626332 NUCCADPYEZWILB-UONOGXRCSA-N 280.371 3.984 30 20 CHED CC[C@H](/N=C\c1ccccc1O)c1c(C)noc1C 756846260 HQINAUURIRFYFN-LWLPBDFMSA-N 258.321 3.567 30 20 CHED C#CC[C@@H](NC(=O)/C=C(\C)C(C)(C)C)c1ccccc1 757594330 BQTLAWIVVFZMIC-FIFPYPGSSA-N 269.388 3.860 30 20 CHED C#CCCCC(=O)Nc1cc(Cl)cc2cccnc12 757938416 MQOHTXGKUNTGLX-UHFFFAOYSA-N 272.735 3.630 30 20 CHED C#CCCCCNC(=O)N(C)[C@H](C)c1ccc(C)cc1C 758885946 MEEFGRVAYVHQIE-MRXNPFEDSA-N 286.419 3.809 30 20 CHED CC(C)c1ccc(CC=NOCc2cccnc2)cc1 760247781 ZYKCFOFSQHFRSU-UHFFFAOYSA-N 268.360 3.950 30 20 CHED C#CCCN1CCC[C@H]1c1ccccc1Br 760845720 ZGEBFFFMTMQRFT-AWEZNQCLSA-N 278.193 3.609 30 20 CHED CCCCCCCCCCC(=O)N1C[C@@H](O)[C@H](CC)C1 760983208 JOLUAWQUMBJXRK-HZPDHXFCSA-N 283.456 3.747 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc3c(c2)ncn3C)c1 761199859 HFWZHVMELUWJEX-VQHVLOKHSA-N 276.339 3.778 30 20 CHED Cn1cc(NN=C2CCC[C@H]2c2ccccc2Cl)cn1 761866799 JEGLOLRBYSSMFW-ZDUSSCGKSA-N 288.782 3.809 30 20 CHED C=CCCS(=O)(=O)N[C@H](CCCCC)c1ccccc1 765180372 JSJUKAWQLMAEIO-MRXNPFEDSA-N 295.448 3.804 30 20 CHED C#CCCCN[C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 766234655 ZTTHKNSHLFNTKC-WBVHZDCISA-N 289.394 3.864 30 20 CHED Cc1cc(NN=Cc2ccc(C)c(Cl)c2)nc(C)n1 766451573 YOGDHUBZFOFNED-UHFFFAOYSA-N 274.755 3.501 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)c1cncs1 767764117 RDLHXMKJXFCXHV-UHFFFAOYSA-N 286.385 3.713 30 20 CHED C=CC[C@H]1N(C(=O)/C=C/c2cccc(O)c2)CCCC1(C)C 769644124 RSASWXAOGKOSSX-SXSDINLZSA-N 299.414 3.999 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccc(C#N)c2C)c1 769793887 CWOLOCILQGVMRC-UHFFFAOYSA-N 291.379 3.657 30 20 CHED C=CCc1cc(CN[C@@H](C)CCC)cc(OC)c1OC 772954766 OIJDJUIPRPIEFW-ZDUSSCGKSA-N 277.408 3.711 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)c1ccccc1OC 773030852 WABWIIJGBDJNCQ-KRWDZBQOSA-N 298.361 3.947 30 20 CHED Nc1c(Cl)cc(C(=O)/C=C\c2cncs2)cc1Cl 773162738 XFEAVCBRICNVCA-UPHRSURJSA-N 299.182 3.928 30 20 CHED N#C[C@H](C(=O)C1(F)CCCC1)c1ccc2ccccc2n1 773962574 WLMNVSUJPFEBMX-ZDUSSCGKSA-N 282.318 3.693 30 20 CHED C(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(-c2ccccn2)c1 774593864 STMKPPZKYHVGMS-UCLAIMLFSA-N 291.398 3.861 30 20 CHED C#C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)[C@H]1CCCO1 775573330 HEEMTIRIMIYNKT-BYCMXARLSA-N 297.320 3.537 30 20 CHED C#CCCCN[C@H]1CCCC[C@@H]1Cc1ccccc1 775683793 ZMLMUAJMRQRMBH-MSOLQXFVSA-N 255.405 3.791 30 20 CHED N#CCc1ccc(COC(=O)CCCc2cccs2)cc1 776110038 HTTFTJZXGNFKDT-UHFFFAOYSA-N 299.395 3.880 30 20 CHED C[C@@H]1CC/C(=C/C(=O)OCc2ccc(CC#N)cc2)C1 776113741 SGIXONIDONFXHJ-YYTPVVGHSA-N 269.344 3.542 30 20 CHED Cc1cc(C)c(C=NNc2nc3ccccc3cc2C)[nH]1 776783219 RCKVRNBDDUPOCC-UHFFFAOYSA-N 278.359 3.934 30 20 CHED O=c1ccccn1N=CC(c1ccccc1)c1ccccc1 776784767 OJPJHRCNZALPJQ-UHFFFAOYSA-N 288.350 3.514 30 20 CHED N#CCc1ccccc1CC(=O)N1CCCC12CCCCC2 777428306 SLPOFXABNPHCNC-UHFFFAOYSA-N 296.414 3.620 30 20 CHED C=CC[C@@H](C(=O)OC/C=C\Cl)c1ccccc1 778419032 PRAASDFYYKTMLS-AGEOTTOMSA-N 250.725 3.642 30 20 CHED C=C(C)CN(C)C(=O)c1cc(C)n(Cc2ccccc2)c1C 778456335 DVFDHPYQRZXSIR-UHFFFAOYSA-N 296.414 3.801 30 20 CHED C#CCCCCCC(=O)Nc1cccc(C(F)(F)F)n1 779888666 JQRUAEPYWNLWJQ-UHFFFAOYSA-N 284.281 3.623 30 20 CHED C#CCCCCCC(=O)OCc1cc(-c2ccccc2)on1 780254547 BUGSQFJJLXGNOY-UHFFFAOYSA-N 297.354 3.969 30 20 CHED CSc1ccccc1COC(=O)c1ccccc1CC#N 781229810 OOQUYDMSNPUBIL-UHFFFAOYSA-N 297.379 3.832 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N[C@@H](C#N)C(C)C 782606625 SPQDVFLKCCUZEK-DZGCQCFKSA-N 252.402 3.647 30 20 CHED CCc1ccccc1CON=Cc1ccccc1OC 783550162 BUDWHGGZIRWDCV-UHFFFAOYSA-N 269.344 3.808 30 20 CHED C[C@@H]1CCC(=NNc2ncnc3sccc23)[C@H](C)C1 783815939 HVADIGDDGARBFM-NXEZZACHSA-N 274.393 3.915 30 20 CHED COC(=O)c1cccc(NN=C[C@@H]2CCCC[C@@H]2C)c1 783866914 LWBZAZOUZBCQJM-JSGCOSHPSA-N 274.364 3.697 30 20 CHED CO[C@H]1Cc2ccc(NCCCC(C)(C)C#N)cc2C1 783898077 WWFULORDRDTZCB-INIZCTEOSA-N 272.392 3.542 30 20 CHED CC(C)C(C)(C)C(=O)OCc1ccc(C#N)cc1Cl 784333993 ISMUWDUDDRUQIH-UHFFFAOYSA-N 279.767 3.937 30 20 CHED C#CCCCCC(=O)OCCSc1ccccc1 784523277 YUSVLNGJTIGXJT-UHFFFAOYSA-N 262.374 3.516 30 20 CHED C#CCCOc1ccc(CNCc2cscc2C)cc1 785521387 JYZUZEGKDFJYHR-UHFFFAOYSA-N 285.412 3.748 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cccc([N+](=O)[O-])c1C 785761015 GDYQGVRVGLLHNN-OAHLLOKOSA-N 277.320 3.549 30 20 CHED COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc1C 787186437 BMUOFDYVSBDHTD-SOFGYWHQSA-N 298.386 3.986 30 20 CHED Cc1ccc(CCCC=NOC[C@@H]2CCOC2)cc1C 788036262 FVYPHQLCMAMCRI-QGZVFWFLSA-N 275.392 3.665 30 20 CHED C=C(C)COC(=O)Cc1cccc(Cl)c1Cl 789247163 CBAIYXRUPCKCCC-UHFFFAOYSA-N 259.132 3.655 30 20 CHED COc1ccc2ccccc2c1C=NNc1ncccc1C 790192933 KMMUXKFHZYFHRJ-UHFFFAOYSA-N 291.354 3.998 30 20 CHED CCCCCCCCCN1CCN(CC(C)(C)O)C[C@H]1C 792299926 XUDNHHUQXURWBX-QGZVFWFLSA-N 298.515 3.514 30 20 CHED N#CC[C@H](CC(=O)Nc1cccnc1Cl)c1ccccc1 792920594 ZFYRQWIAKSOYBA-CYBMUJFWSA-N 299.761 3.761 30 20 CHED CC(=NNc1cccnn1)[C@@H](C)c1ccc(Cl)cc1 794513988 FMVCWFIZDRSPEU-SNVBAGLBSA-N 274.755 3.722 30 20 CHED N#Cc1cnccc1/C=C\c1ccc([N+](=O)[O-])c(Cl)c1 794712082 IGDPVNGSTDVMJC-IWQZZHSRSA-N 285.690 3.685 30 20 CHED CCCCOc1ccc(C(=O)/C=C\c2c(C)cnn2C)cc1 794713831 PLJLPHBEEHCFFD-KHPPLWFESA-N 298.386 3.804 30 20 CHED COc1cccc(/C=C2/CCc3ccc(O)cc3C2=O)c1 794960899 YTALHWLTJZMGQX-ZROIWOOFSA-N 280.323 3.613 30 20 CHED Cc1cccc(COC(=O)C[C@@H](CC#N)c2ccccc2)n1 795982842 OCEJQOWKUZILSE-MRXNPFEDSA-N 294.354 3.521 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@](C)(CC)c1ccccc1 798407526 BKBKOKVWWJWELF-DOTOQJQBSA-N 274.408 3.966 30 20 CHED C=C[C@H](OC(=O)c1ccc(NC(C)=O)c(F)c1)C(C)(C)C 798903089 QVBQURTUEPDJNH-AWEZNQCLSA-N 293.338 3.542 30 20 CHED C#C[C@H](NC(=O)c1csc(-c2ccccc2C)n1)C(C)C 799043673 AUSOYOPNABOCJW-AWEZNQCLSA-N 298.411 3.506 30 20 CHED COc1cccc(/C=C2/COc3c(C)cccc3C2=O)c1F 799892045 DKBSKIAGRKQYMW-LCYFTJDESA-N 298.313 3.801 30 20 CHED Cc1ccccc1COC(=O)c1ccccc1SCC#N 802637070 LJRFDIXWDDKSAH-UHFFFAOYSA-N 297.379 3.968 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](CC)c1ccncc1 806003819 DEECQGKVCLRNSA-INIZCTEOSA-N 289.423 3.968 30 20 CHED CC[C@H]1CC[C@@H]1NCc1cccc(O[C@@H](C#N)CC)c1 806147190 UVZAJXYQKYHVEL-UXLLHSPISA-N 272.392 3.646 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccccc1-c1cccs1 806178289 RJAPRXBGDMUNQU-GFCCVEGCSA-N 284.384 3.948 30 20 CHED CC(C)(C)c1ncc(/C=C2\CCc3ccccc3C2=O)cn1 806565219 KBSWMYHLZMCFGJ-XNTDXEJSSA-N 292.382 3.987 30 20 CHED CCOc1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1 806580046 ZARRKHYAYJFQNN-XYOKQWHBSA-N 299.757 3.956 30 20 CHED Fc1ccc(C=NNCC2CCCC2)c(Br)c1 808007245 WVDNNBAUQZESSV-UHFFFAOYSA-N 299.187 3.702 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1ccncc1 812233275 UOXNONXKXYMTIB-UHFFFAOYSA-N 253.349 3.959 30 20 CHED C=CCCO[C@H](C)C(=O)N(c1ccc(CC)cc1)C(C)C 813259383 FHELVQLNSFMQHW-OAHLLOKOSA-N 289.419 3.972 30 20 CHED O=[N+]([O-])c1ccccc1NN=C1CC(c2ccccc2)C1 814685708 MYQFAYAICDKGEZ-UHFFFAOYSA-N 281.315 3.940 30 20 CHED C(=NNc1nc(-c2ccccc2)cs1)[C@@H]1CCCOC1 814769446 OUABGLABDAAWEK-LBPRGKRZSA-N 287.388 3.634 30 20 CHED CC(CCCCCCC(=O)O)=NNc1ccc(C#N)cc1 814803068 IHPQTODMYHIUAK-UHFFFAOYSA-N 287.363 3.771 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(C)nc1C 814810736 UNAQLEUCTYARSV-UHFFFAOYSA-N 274.755 3.583 30 20 CHED c1ccc(OCCCNN=C2CC[C@H]2C2CCC2)cc1 814838427 NBUYWJZTRNSTKL-INIZCTEOSA-N 272.392 3.611 30 20 CHED CC[C@H](C=NNc1ncccc1[N+](=O)[O-])c1ccccc1 814869151 DDPWKASJBFRYQS-GFCCVEGCSA-N 284.319 3.581 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1ccc(C)nc1C 814916558 BWWUFJDBDFIKBC-HNNXBMFYSA-N 259.397 3.591 30 20 CHED C[C@@H](COC(=O)CC(C)(C)C#N)C1CCCCC1 815238171 NMLVLYOFJRYQPD-LBPRGKRZSA-N 251.370 3.686 30 20 CHED CCc1ccc(C#CC(=O)N[C@@H](C)c2ccsc2)cc1 816589280 RHFQTTFLSLDMGL-ZDUSSCGKSA-N 283.396 3.539 30 20 CHED C#CCCCC(=O)N1CC[C@@H](c2ccccc2)C1(C)C 817506775 NKESZAKEMOBDOZ-INIZCTEOSA-N 269.388 3.585 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(cc1O)CCCC2 818355572 HMXHQNXGKPMFAL-HEHGZKQESA-N 284.403 3.614 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC[C@@H](O)c1ccccc1F 819368140 MXDTZDXYMAXZJX-QFBILLFUSA-N 299.389 3.636 30 20 CHED C=CC[C@@H](NC(=O)[C@@H](CC)CCC)c1ccncc1 820018306 PMYIQOYKUHJJCG-DZGCQCFKSA-N 260.381 3.641 30 20 CHED CC(C)(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@H](C#N)C1 823235651 DJCNVVIHMRXZDX-DZGCQCFKSA-N 284.403 3.697 30 20 CHED C#CC[C@H](NC(=O)[C@H]1CCCCC1(F)F)c1ccccc1 827396670 VMFASBFDLGNNRF-CABCVRRESA-N 291.341 3.693 30 20 CHED C#CCCOc1ccc(C(=O)N(CC2CCC2)C(C)C)cc1 831187768 NXLUBTNWCYSJAD-UHFFFAOYSA-N 299.414 3.739 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2c[nH]c(C(=O)O)c2)cc1C 832876267 WRRMILHOMJPYBO-SNAWJCMRSA-N 283.327 3.534 30 20 CHED CCCCCC[C@@H](C)NN=C(C)[C@H]1C[C@H]2CC[C@H]1O2 834960285 LERPGVWIMAPSFT-DTZQCDIJSA-N 266.429 3.878 30 20 CHED CC(CC(C)(C)C)=NNc1ccc2c(=O)[nH]ccc2c1 834977631 WLGXAQUTOOTEEI-UHFFFAOYSA-N 271.364 3.752 30 20 CHED C=CCONC(=O)Nc1cccc(COC(C)(C)C)c1C 836444301 MILMXNUNDCVAEX-UHFFFAOYSA-N 292.379 3.549 30 20 CHED COc1ccccc1CON=C(C)c1ccc(C)o1 836691571 UWHVKYPMIUJNQR-UHFFFAOYSA-N 259.305 3.537 30 20 CHED C=CCC[C@@H](NC(=O)C#CC(C)(C)C)c1ccccc1 837486115 VWZRLJKYKIQECP-MRXNPFEDSA-N 269.388 3.860 30 20 CHED C=COc1ccc(NC(=O)CCCCCC#N)cc1 837765337 SWPRNPTXHZUJQJ-UHFFFAOYSA-N 258.321 3.621 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2ccc(Cl)s2)C1 839057898 IJSIWBWGWPLRSB-UWVGGRQHSA-N 283.780 3.570 30 20 CHED CC[C@H](C)[C@@H](C/N=C/c1cc(Cl)ccc1O)OC 840705572 FCEJBRIOBQBVLJ-DNXKIUMKSA-N 269.772 3.526 30 20 CHED CC[C@H](C/N=C\c1cc(OC)ccc1O)CC(F)(F)F 840710273 IQDXBGYBAWWAOU-OAOMGELKSA-N 289.297 3.798 30 20 CHED C=C(C)CNC(=S)N1CC2(CCC2)[C@@H]1c1ccccc1 840751301 RJCMJXHLOZWYTE-HNNXBMFYSA-N 286.444 3.664 30 20 CHED C/C=C(/C=C\C(=O)N[C@H]1CCCc2cc(C#N)ccc21)CC 841465878 OEFUYTDDBPROEJ-UKNWKLCHSA-N 294.398 3.964 30 20 CHED COCCCNN=C1CC[C@H](c2cccc(Cl)c2)C1 841636436 MXIHAQHNENUKJQ-ZDUSSCGKSA-N 280.799 3.590 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H]1CCCNCC1 841977706 IRRUPMGBIAGXEZ-INIZCTEOSA-N 297.487 3.521 30 20 CHED CC(C)[C@H]1CCc2c(sc(NC(=O)C(F)F)c2C#N)C1 844551615 NXTPZXYKRBLFPT-QMMMGPOBSA-N 298.358 3.584 30 20 CHED COc1cccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1O 846149159 WNJCKLCGRFVZNJ-CHWSQXEVSA-N 296.370 3.684 30 20 CHED Cc1cc(C#N)ccc1N1CCO[C@H](c2ccc(F)cc2)C1 846748262 LRFXNUWLKIKMKQ-SFHVURJKSA-N 296.345 3.584 30 20 CHED C=CCCN[C@H](C)c1cc(Br)cc(F)c1O 850502706 VDTSPUUBEFYHBD-MRVPVSSYSA-N 288.160 3.521 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cc2ccncc2s1 851204667 BZCZATNVJFYOPM-SNVBAGLBSA-N 288.372 3.781 30 20 CHED C=C[C@@H](OC(=O)CCC1CCOCC1)c1ccccc1 851452345 RCXWVNYVDJZRGX-MRXNPFEDSA-N 274.360 3.664 30 20 CHED Fc1cccc(C=NOC/C=C\c2ccccc2)c1 852152842 CPNRYNFSYAYOMI-RRRDMQOJSA-N 255.292 3.890 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 852410107 IADYUTVNEBECME-GFCCVEGCSA-N 278.327 3.522 30 20 CHED Cc1ccc2cc(C=NN3CCCC[C@H]3C)ccc2n1 853380572 UNJBYRNWMSIGCY-CQSZACIVSA-N 267.376 3.752 30 20 CHED C=CC[C@H]1CCCN(c2cc(C(F)(F)F)cnc2C#N)C1 853802252 TWBDSRWKWWTMOO-NSHDSACASA-N 295.308 3.765 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1C(=O)C#CC(C)C 855215828 ZPNFUUMRIDRIDK-MRXNPFEDSA-N 269.388 3.626 30 20 CHED CC1(C#N)CCN(C(=O)OCc2cccc(Cl)c2)CC1 859102232 YKFTWYDIJLVKET-UHFFFAOYSA-N 292.766 3.602 30 20 CHED C=C[C@](C)(CCOC)COC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 860689793 UHBGTRSWMVUMPR-XJNFMUPTSA-N 280.408 3.585 30 20 CHED C=C(C)CNC(=O)[C@@H](CC)c1ccc(Br)cc1 860976743 RQVDKQSVJCJCQV-ZDUSSCGKSA-N 296.208 3.635 30 20 CHED CCC(CCc1ccccc1)=NN[C@H]1CCOC1(C)C 863117726 BUOAIYBIQKRURS-INIZCTEOSA-N 274.408 3.542 30 20 CHED Fc1ccc(Cl)cc1NN=C1CC(C(F)F)C1 872418135 CMHVSGIJDZWDIX-UHFFFAOYSA-N 262.662 3.922 30 20 CHED C=CCN(C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 877427461 ZSKWWSYRMRILNB-UHFFFAOYSA-N 276.380 3.651 30 20 CHED CCCC(=O)N1/C(=N\Cc2ccccc2)SCC1(C)C 892128917 VOOHLEJLNALTBG-BMRADRMJSA-N 290.432 3.697 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cccc2c1NCCC2 893930769 HHCFRHLZBBAMSG-UHFFFAOYSA-N 291.398 3.548 30 20 CHED C=CCCC[C@@H](NCc1c(C)cc(C)cc1C)C(=O)O 900067611 MBJCGCCEUXLJSH-MRXNPFEDSA-N 275.392 3.511 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1ccccc1 901123595 OZUXTHMAYBVCJI-UHFFFAOYSA-N 256.353 3.527 30 20 CHED C=CCOc1ccc(C(=O)NCCCCCC)cc1 913478870 CGELEJHHRMPWNG-UHFFFAOYSA-N 261.365 3.562 30 20 CHED C=CCN(C(=O)Cc1c(C)nc2ccccc2c1C)C(C)C 914683085 DZESOOKMFGLVHT-UHFFFAOYSA-N 296.414 3.817 30 20 CHED CCCCCCCCCNC(=O)NCc1ccco1 915053529 YLSGUPRXOFGEIB-UHFFFAOYSA-N 266.385 3.829 30 20 CHED C=CCN(C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)C(C)C 915153416 KTZPSXATXMWLNK-ZFWWWQNUSA-N 275.392 3.759 30 20 CHED CCC(=NNc1nncc2ccccc12)c1ccc(O)cc1 915909984 XXYQLOQJLKNQOB-UHFFFAOYSA-N 292.342 3.562 30 20 CHED Fc1ccc(NN=Cc2cc(F)ccc2F)c(F)c1 915933812 KBYUBAALVYGGCB-UHFFFAOYSA-N 268.213 3.689 30 20 CHED COCCOc1ccc(C(C)=NNc2ccc(C)cc2)cc1 915935488 FUSHHIJBZPILHU-UHFFFAOYSA-N 298.386 3.856 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1ccccc1C 915976948 SNOXPSKGUXIJOV-UHFFFAOYSA-N 274.314 3.787 30 20 CHED CC(C)c1ccc(OCC/N=C/c2cccc(O)c2O)cc1 915981368 AKUCKHSITGGGML-XDHOZWIPSA-N 299.370 3.719 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc2ncccc2c1 916250342 VUCBLPWOTNYTIZ-UHFFFAOYSA-N 292.298 3.589 30 20 CHED Clc1cccnc1NN=C/C=C\c1ccccc1 917549501 PWROYPYURASTCE-DNUSIXGJSA-N 257.724 3.846 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)C[C@H](C)C#N 918134729 CKBXZKDGENSPMG-LSDHHAIUSA-N 281.444 3.784 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1ccccn1 918136287 PCOGKLVNQVYJIP-HNNXBMFYSA-N 291.439 3.877 30 20 CHED CN(C)c1ccc(C(=O)/C=C2\COc3ccc(F)cc32)cc1 918156962 YHDXHLNFURCUOW-UKTHLTGXSA-N 297.329 3.550 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1ccccc1Cl 920947630 OPHUJKBEZPXVQU-UHFFFAOYSA-N 288.734 3.874 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1[C@H](C)c1ccccc1 928382346 FEDGTKFRRMRPSY-AEFFLSMTSA-N 283.415 3.975 30 20 CHED CC(C)[C@H](CO)[C@H](NCCCCC1(C#N)CCC1)C(C)C 930641271 ZQPYSVUQFIPFMP-DLBZAZTESA-N 294.483 3.729 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2c(Cl)cccc2C1 933313319 RSUIPIOMBQHCGQ-GFCCVEGCSA-N 277.795 3.827 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1nccn1-c1ccccc1 935991441 GRFSMQLHLJCCMU-LSDHHAIUSA-N 297.402 3.652 30 20 CHED Cc1ccc(C(=O)N(c2ccccc2C#N)C2CCC2)o1 1119426576 MDSCBGYRDXXWJM-UHFFFAOYSA-N 280.327 3.659 30 20 CHED Cc1ccc(C(=O)NCC2CCCCCCC2)cc1C#N 1125234006 MTHXAVOVQRDQNG-UHFFFAOYSA-N 284.403 3.957 30 20 CHED CC1(C)CC(CNC(=O)c2ccc(C#N)cn2)CC(C)(C)C1 1130719638 CHVFFIIDZUZIGJ-UHFFFAOYSA-N 299.418 3.536 30 20 CHED C[C@H](OC(=O)CCNc1ccccc1)c1ccc(C#N)cc1 1256048416 MIJHVUFLNCEMIS-AWEZNQCLSA-N 294.354 3.665 30 20 CHED COc1ccc2cc(C(=O)O[C@H]3CC[C@H](C#N)C3)ccc2c1 1263379375 KGSAWMOIMHFVHW-SJCJKPOMSA-N 295.338 3.697 30 20 CHED Cc1cc(COC(=O)c2ccsc2C#N)ccc1Cl 1266574422 NDBXYCRPIJDABT-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)CC(C)(C)C#N)c1C1CC1 1295880518 XSPSFDDSPKYQRQ-LLVKDONJSA-N 288.395 3.610 30 20 CHED COc1cc(C#N)ccc1OC[C@@H]1CCCC[C@H]1C 1307243247 YNYKRZGYAVQQFM-OCCSQVGLSA-N 259.349 3.772 30 20 CHED C[C@@H](CNC(=O)Nc1sccc1C#N)c1ccccc1 1310957191 UGJDKTPOEMBMNM-NSHDSACASA-N 285.372 3.545 30 20 CHED Cc1nc(CNc2ccccc2O[C@H](C)C#N)c(C)s1 1320192170 OKKTUEBQIHMGSA-SNVBAGLBSA-N 287.388 3.663 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(Nc2ccccc2)CC1 1320620503 ZYLUYNIRGJHTGH-GOSISDBHSA-N 286.419 3.692 30 20 CHED COc1c(CNc2cccc(CC#N)n2)oc2ccccc12 1321795963 GMVZXMRIHCXPRI-UHFFFAOYSA-N 293.326 3.515 30 20 CHED CCc1ccc(C=NNCc2ccc(F)cc2)cc1 1322629384 MFPVSLICZKBRHU-UHFFFAOYSA-N 256.324 3.512 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](C)c1cccc(C2CC2)c1 1324651685 PQEIPXJCALKPHY-CQSZACIVSA-N 296.414 3.680 30 20 CHED CC(C)(C#N)CNC(=O)c1ccc(-c2ccccc2)s1 1325151044 PJXBASXLUYHUOA-UHFFFAOYSA-N 284.384 3.695 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1ccc(C=O)cc1 1335011830 DHPSJYWABOAOAF-UHFFFAOYSA-N 299.414 3.637 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](c2ncc(C)s2)C2CC2)n1 1336425271 ZZFNBNHRQCORLC-CQSZACIVSA-N 298.415 3.898 30 20 CHED Cc1nc(N2CCCCC2)sc1C=NOC1CCCC1 1337204700 IWISYJKMJSIYCV-UHFFFAOYSA-N 293.436 3.735 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)/C=C/c1ccc(SC)s1 1338330186 VRIQOHGMJJHKOU-IOCXFXADSA-N 294.445 3.634 30 20 CHED N#CCc1cccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1 1344492810 DNAQFOWCWIYCTM-JKSUJKDBSA-N 297.402 3.797 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](F)CC 1346352434 GZFSPWXTEDJAOU-JTQLQIEISA-N 275.776 3.664 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 1353279202 YACUIEONLNEORY-YXJHDRRASA-N 296.414 3.908 30 20 CHED C=C(C)CCC(=O)NCC(C)(C)c1ccccc1F 1357880545 OCLNLGWYWXLSFE-UHFFFAOYSA-N 263.356 3.576 30 20 CHED CCC[C@H](C(=O)Nc1cc(C)cc(C#N)c1)C(C)C 1436707296 UIXNUHBSZMENAM-HNNXBMFYSA-N 258.365 3.878 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)OCc2cccc(Cl)c2)C1 1463401452 RTMOWDHZMNJGER-HNNXBMFYSA-N 292.766 3.602 30 20 CHED Cc1ccc(Oc2cccc(NC(=O)CC#N)c2)c(C)c1 1471260442 UXFOWFRCJGNKOV-UHFFFAOYSA-N 280.327 3.948 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccc2c(c1)CCC2 1473568279 JRIYSSHRWCMZJK-UHFFFAOYSA-N 274.367 3.610 30 20 CHED CCC[C@H](CC)C(=O)O[C@H](C)c1ccc(C#N)cc1 1524303464 YITRBWPNSJRCEQ-OCCSQVGLSA-N 259.349 3.989 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](F)c1ccccc1 1526210645 YLWLHYFSEQYIOV-CXAGYDPISA-N 296.345 3.788 30 20 CHED CC(C)(C)CC(=O)[C@@H](C#N)c1nc2cccc(Cl)c2[nH]1 1526620774 NXWPROAATPPJMZ-SECBINFHSA-N 289.766 3.829 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1sc2cccc(F)c2c1Cl 1534405058 ONTOXVBIFXJKDM-ZETCQYMHSA-N 296.754 3.678 30 20 CHED C=CCCC[C@H](NCC1(C(=O)O)CC1)c1ccccc1 1588798192 XARQOWVTDDESCW-HNNXBMFYSA-N 273.376 3.538 30 20 CHED Cc1cc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)oc1C(=O)O 1607609420 JCRNISMPNNEVHY-NWDGAFQWSA-N 298.342 3.570 30 20 CHED Cc1ccc(Nc2ncc(C#N)cc2F)cc1OC(F)F 1612013832 BCERADZTWHTXLW-UHFFFAOYSA-N 293.248 3.746 30 20 CHED N#Cc1ccc(CCN(c2ccccc2)C2CC2)cc1 1617940120 LHCTZDDESNXWCX-UHFFFAOYSA-N 262.356 3.770 30 20 CHED CC(C)(C)[C@H]1CCC[C@H](Nc2nccnc2C#N)CC1 1639791440 OFSCXRWOYKNWAW-STQMWFEESA-N 272.396 3.755 30 20 CHED Cc1cc(N2CCC(C)(C)CC(C)(C)C2)ncc1C#N 1640140242 WYBJTRSXNIPQIL-UHFFFAOYSA-N 271.408 3.914 30 20 CHED Cc1cc(NC/C=C/Cl)n2c(nc3ccccc32)c1C#N 1651495169 OCERSDUKMTVZEX-QPJJXVBHSA-N 296.761 3.832 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)c1ccnc(C#N)c1 1651572453 LGZTVESHWMDAAA-QGZVFWFLSA-N 279.387 3.719 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CC(=O)c1ccccc1F 1653972252 AEQJPRDFVLDFII-CYBMUJFWSA-N 296.345 3.573 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC[C@@H](O)c1cccc(C#N)c1 1654231869 OZUMGCLLEZFNGK-KBAYOESNSA-N 286.419 3.540 30 20 CHED Cc1ccc2c(c1)CN(Cc1cccc(C#N)n1)C(C)(C)C2 1659290120 BUJSNGLLAAWMQV-UHFFFAOYSA-N 291.398 3.599 30 20 CHED CC[C@H]1CCC[C@H]1NC(=O)Nc1cc(C)cc(C#N)c1 1662642347 FVFSCYWNKVFSEB-DZGCQCFKSA-N 271.364 3.567 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2cc(F)cc(C#N)c2)C1 1672410362 MZFYTBVHFSHTOX-INIZCTEOSA-N 289.354 3.741 30 20 CHED C=C(CNC(=O)N[C@H](C)CC(C)(C)C)c1ccccc1 1686696854 OPFHRSCCMQCHEB-CQSZACIVSA-N 274.408 3.824 30 20 CHED C=C1C[C@@H](C(=O)O)N(CC2CCC(C(C)(C)C)CC2)C1 1776148103 CJGQKOVJKKKYBO-NRXISQOPSA-N 279.424 3.554 30 20 CHED C=CCCCCN1CCC([C@@H]2CCC[C@H]2C(=O)O)CC1 1776207726 HQRAQTVKJUMRKM-JKSUJKDBSA-N 279.424 3.556 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)o2)cs1 1777417981 KUAFOFMUPBPLFH-XGXWUAJZSA-N 288.324 3.643 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc2[nH]ccc2c1 107576065 RRYGTOMGKFDEBR-UHFFFAOYSA-N 275.311 3.600 30 20 CHED C=CCNC(=O)N1CCC(c2cccc3ccccc23)CC1 58555897 URCJIUMXPBBORF-UHFFFAOYSA-N 294.398 3.915 30 20 CHED CS[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 172363716 GWIQAEJTVABAQO-INIZCTEOSA-N 296.395 3.795 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](c1ccccc1C)C(C)C 112191070 QPFNJDCXHJBYMV-RDJZCZTQSA-N 289.419 3.790 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccnc1Cl)C2 108145282 NNVQBCNPABHDRY-LCYFTJDESA-N 269.731 3.866 30 20 CHED C=CCOCCCC(=O)N1CCC[C@@H]1c1cccc(C)c1 173718878 RZHDJAWPQMQGDE-QGZVFWFLSA-N 287.403 3.641 30 20 CHED CC(C)C(C)(C)CNc1ncc(Br)cc1C#N 310347326 FQWGMJOTXLOKBS-UHFFFAOYSA-N 296.212 3.810 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1Cl 58453680 YZCIYMPWFYHSEO-UHFFFAOYSA-N 299.761 3.842 30 20 CHED CCC[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2C)C1 178549590 UBNXTKWWKDZDIM-CQSZACIVSA-N 285.391 3.911 30 20 CHED C=CCCCC(=O)NC[C@H](c1ccccc1)C(C)C 175278691 TUKPTSNMPSUVLF-INIZCTEOSA-N 259.393 3.899 30 20 CHED C#CCCCCC(=O)N[C@H]1CCC[C@H]1c1ccccc1 119840099 XKDRAYSZSRAAGH-IRXDYDNUSA-N 269.388 3.633 30 20 CHED CC(C)(C#N)CCCN1CCCc2cccc(F)c21 174815330 YAAWXINGRIQOAE-UHFFFAOYSA-N 260.356 3.908 30 20 CHED C=C(C)CNCc1cccc(OCC)c1OCCC 119640819 AJYUKHQOXDBIAK-UHFFFAOYSA-N 263.381 3.540 30 20 CHED CC[C@@H](NC(=O)NCCCCC#N)c1ccc(Cl)cc1 170887228 YVCPIKASMCLLOU-CQSZACIVSA-N 293.798 3.784 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H](C)c2ccsc2)n1 61364588 HBPRJJLOTJJDCC-NSHDSACASA-N 257.362 3.805 30 20 CHED N#Cc1ccccc1CSCc1noc2c1CCCC2 171756353 HIOWLWDCVWNYCI-UHFFFAOYSA-N 284.384 3.858 30 20 CHED CCCNc1nnc(Sc2cccc(F)c2C#N)s1 301137416 CFDVNFWUJFLJIV-UHFFFAOYSA-N 294.380 3.522 30 20 CHED N#Cc1cccc(OCCNc2cccc(C(F)F)c2)c1 172895745 HWYLBJWMXDDKLQ-UHFFFAOYSA-N 288.297 3.987 30 20 CHED Cl/C=C\CON=Cc1ccc(Br)s1 308200266 XORWDRGOARHGNO-IJSPEROBSA-N 280.574 3.614 30 20 CHED C=C(Cl)CSc1nnc(Cc2cccc(F)c2)o1 67754436 PYWPDVYOFYOSAC-UHFFFAOYSA-N 284.743 3.644 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1 66320050 HSJRMGAXGFXSTA-NVXWUHKLSA-N 287.403 3.640 30 20 CHED C#CCCOC(=O)[C@@H](C)c1ccc2ccccc2c1 175952085 ITLKAXWICLVZSG-ZDUSSCGKSA-N 252.313 3.510 30 20 CHED COc1ccccc1N[C@@H](C)c1ccc(OCC#N)cc1 37189129 ANUAAQWBXJHWGW-ZDUSSCGKSA-N 282.343 3.771 30 20 CHED N#CC1(COC(=O)c2cncc(-c3ccccc3)c2)CCC1 183850736 SWRHPXZQUKHTHI-UHFFFAOYSA-N 292.338 3.599 30 20 CHED CC[C@@H](CC#N)NCc1ccc(OC(F)F)c(Cl)c1 184087788 DRXQTMPKBBTURZ-JTQLQIEISA-N 288.725 3.723 30 20 CHED CCC(CC)Sc1ccc(C#N)cc1[N+](=O)[O-] 301137275 BUXXQPAPBJYHNX-UHFFFAOYSA-N 250.323 3.747 30 20 CHED CC(C)(C)C[C@H](NC(=O)CC#N)c1ccc(Cl)cc1 187030434 IZPGIXWKVMRYKX-ZDUSSCGKSA-N 278.783 3.847 30 20 CHED CCc1cccc(N/C(N)=N/CCCc2ccccc2)c1 303696724 FDZIOZJCVPDLMZ-UHFFFAOYSA-N 281.403 3.608 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(c2c(F)cc(C#N)cc2F)C1 302161820 YQMSNAOZSXWFNM-MEDUHNTESA-N 299.324 3.819 30 20 CHED C=CCC[C@@H](C(=O)N1C[C@H]2CCC[C@H]2C1)c1ccccc1 188526689 TZFRYZHZMZSGDF-FGTMMUONSA-N 283.415 3.995 30 20 CHED CC1(C)CCCN(Cc2c(F)cccc2Cl)[C@@H]1C#N 444713587 BINGYZUEOTVSTL-CQSZACIVSA-N 280.774 3.993 30 20 CHED CCC1(CC)CCN(C(=O)c2cc(C#N)cs2)CC1 188621194 IYERTBMVPGPLDY-UHFFFAOYSA-N 276.405 3.662 30 20 CHED N#CC1(C(=O)NCCc2cc3ccccc3o2)CCCCC1 124016058 PIZKAKWTXMEUMD-UHFFFAOYSA-N 296.370 3.566 30 20 CHED CCc1nc(C)c([C@H](C)NCC(C)(C)CC#N)s1 414174084 XTIFFTPXQXDBPL-JTQLQIEISA-N 265.426 3.604 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(OCC#N)cc1 180558318 SVAITPPKIFXYEX-HZPDHXFCSA-N 294.398 3.871 30 20 CHED C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@H](C)[C@H]1C 416109649 ITKKFEQZGTVXKH-QLFBSQMISA-N 298.430 3.630 30 20 CHED C[C@@H]1CSC(SCc2ccc(Cl)cc2C#N)=N1 186667192 IPPCMRZREGCTFI-MRVPVSSYSA-N 282.821 3.936 30 20 CHED C[C@H](Nc1ccc(-n2cccn2)cc1)c1cccc(C#N)c1 315487690 MARPBMVXKATXLE-AWEZNQCLSA-N 288.354 3.917 30 20 CHED CC(C)CCn1ccc(N[C@@H](C)c2cccc(C#N)c2)n1 183050199 HBQGFCHCZKBPHH-AWEZNQCLSA-N 282.391 3.974 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](C)CCC 123416889 OQULWOQGPAVVDD-OAHLLOKOSA-N 284.403 3.899 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC=CCC1 412837303 HNOUEUMGOHXCIV-IAGOWNOFSA-N 269.388 3.646 30 20 CHED C=C[C@@H](CC(=O)NCCC1CCC1)c1ccccc1 125198783 MZDVKUOZXIEOCA-HNNXBMFYSA-N 257.377 3.653 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)c1[nH]c(C)cc1C 412837127 HBYZZVMRPUCNHV-MRXNPFEDSA-N 282.387 3.549 30 20 CHED C[C@@H](CCCc1ccccc1)C(=O)N(CCC#N)CC1CC1 180380215 QPMQUJHOLWPMTL-INIZCTEOSA-N 298.430 3.798 30 20 CHED CCc1ccc([C@@H](C)C(=O)N[C@H](C#N)C2CCCCC2)cc1 506536732 AFZUQHZKEIGVSW-RDTXWAMCSA-N 298.430 3.941 30 20 CHED CC(C)(C)C1CCC(CNC(=O)C2(C#N)CCC2)CC1 123816921 ZOHPSYLJLGLRKJ-UHFFFAOYSA-N 276.424 3.649 30 20 CHED CC(C)CN(C(=O)c1cccc(C#N)c1)c1ccccc1 314409736 AHZMRRBZQSAZFS-UHFFFAOYSA-N 278.355 3.861 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)c(OC)c(F)c1 182996392 YBPURJJAPIFZNV-JTQLQIEISA-N 298.333 3.840 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 187821362 WXQACDLAIHMRDY-MRXNPFEDSA-N 291.354 3.861 30 20 CHED CCCOc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 185725541 KWRKKGXMQJINIE-KBPBESRZSA-N 258.365 3.970 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C 410990307 SRHRPLHUGBPGFT-UWVGGRQHSA-N 276.405 3.900 30 20 CHED Cc1ccccc1/C=C\C(=O)c1cnn(C(C)C)c1 214916794 OSSTWZXJNZRVSU-HJWRWDBZSA-N 254.333 3.669 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@H](C)C1 500172145 MDBLIPYZONKZAN-QWHCGFSZSA-N 286.375 3.722 30 20 CHED CCc1noc(C)c1COc1cc(Cl)cc(C#N)c1 287399022 BKZYFZJTXULDID-UHFFFAOYSA-N 276.723 3.650 30 20 CHED Cc1cccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 46169325 LYYXUXRJTJNAGD-UHFFFAOYSA-N 299.761 3.571 30 20 CHED CCS[C@H]1CC[C@@H](N(C)CCCC(C)(C)C#N)C1 174880608 OUXPFUQLNLRJKR-KGLIPLIRSA-N 268.470 3.922 30 20 CHED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1csnn1 414304432 OSSTVYRJAGKJJL-XHDPSFHLSA-N 298.415 3.528 30 20 CHED CCOc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1OC 185726186 ZFEAOOUPEQPXGD-QWHCGFSZSA-N 274.364 3.588 30 20 CHED C=CC[C@@H](C)NC(=O)c1[nH]c2c(Cl)cccc2c1C 412128398 JBRTZXUGYBNMHY-SECBINFHSA-N 276.767 3.824 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 138870123 QBTBRRROUUTVQP-GOSISDBHSA-N 278.355 3.601 30 20 CHED C[C@@H](CN(C)Cc1ccccc1C#N)c1ccccc1 608976576 AFRURIDCBNQVNK-HNNXBMFYSA-N 264.372 3.794 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC1CCC(COC)CC1 414298121 JGPYDDVSPONOJT-ACBHZAAOSA-N 287.447 3.969 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc(C#N)c2C)c1 509528915 SDJCPIYKTFVHGA-OAHLLOKOSA-N 292.382 3.975 30 20 CHED Cc1nc(C)c(C#N)c(SCc2ccc(F)cc2F)n1 84840533 BPONTPKFXJTEOE-UHFFFAOYSA-N 291.326 3.536 30 20 CHED CCCCOc1ccccc1CN[C@@H](CC)CC#N 136960045 JSPVBWGKUGSOAA-HNNXBMFYSA-N 260.381 3.647 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 528703999 NGZFWEKZKXXJLL-HIFRSBDPSA-N 270.376 3.536 30 20 CHED CC(C)(CCC#N)COC(=O)c1ccc2ccccc2n1 195058563 HSUZXTPXAJQJBO-UHFFFAOYSA-N 282.343 3.722 30 20 CHED C=CCC1(C(=O)OCc2sc(C)nc2C)CCC1 192115096 RZURBRJWVIKFOK-UHFFFAOYSA-N 265.378 3.550 30 20 CHED Cc1cc(C#N)cc(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1 329387937 QJNKDZFKXVMGGI-DLBZAZTESA-N 293.370 3.594 30 20 CHED CSc1ccc(C(=O)/C=C\c2cccnc2)cc1 199005838 VTZPQDKZBLAQPR-WTKPLQERSA-N 255.342 3.700 30 20 CHED CC(C)(C#N)CCCOc1cc(Cl)ccc1C(=O)O 87596451 YEVMKBBMYSLAQO-UHFFFAOYSA-N 281.739 3.747 30 20 CHED Cc1ccc(CNc2ccc(C#N)cn2)c(OCC2CC2)c1 88741600 LRCPWGVEOOPIAM-UHFFFAOYSA-N 293.370 3.663 30 20 CHED CCCCc1nc(CN(C)Cc2cccc(C#N)c2)cs1 48056772 BYUQGYGYTZKWDE-UHFFFAOYSA-N 299.443 3.989 30 20 CHED Cc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)o1 80451302 NFMDYKHIPXVKSN-JTQLQIEISA-N 274.345 3.658 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1ccc(F)cc1C#N 226125858 VIELXKKNMJIACV-KGLIPLIRSA-N 264.369 3.783 30 20 CHED CCN(C[C@H]1CCCO1)c1ccc(C#N)c(C(F)(F)F)c1 48966450 SKQJMKLZXZKPIW-CYBMUJFWSA-N 298.308 3.582 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H]2CC[C@@H](C)C2)c1C#N 428669835 KQUMZJZKNWPSTN-KOLCDFICSA-N 263.772 3.540 30 20 CHED Cc1cn2c(/C=C/C(=O)c3ccsc3)c(C)nc2s1 194614903 WSWQSAUBFBKMRA-ONEGZZNKSA-N 288.397 3.970 30 20 CHED CC[C@H]1OCCC[C@@H]1C(O)=Nc1nccn1-c1ccccc1 328747673 QBYOZKURHVYYQL-LSDHHAIUSA-N 299.374 3.666 30 20 CHED COC(=O)[C@H](Nc1cc(C)cc(C)c1)c1cccc(C#N)c1 83029198 UHPHPIKNMAUWLS-QGZVFWFLSA-N 294.354 3.501 30 20 CHED C=C(Br)CN(CCC(F)(F)F)CC1CC1 84501258 SIEBBNLXKQHFIR-UHFFFAOYSA-N 286.135 3.559 30 20 CHED C=CCCC(=O)COc1c(Cl)cccc1Cl 134655945 LLMFJNBIIOTTOG-UHFFFAOYSA-N 259.132 3.908 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)c1ccccc1Cl 42230079 KAJDUINKZWCHHQ-JTQLQIEISA-N 257.724 3.780 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](COc2ccccc2)C1 424754859 DEVPGBYYXGXLJN-HNNXBMFYSA-N 287.403 3.516 30 20 CHED C=CCSCCN[C@H](C)c1ccc(C)cc1OC 221946722 RTBQABVEMAOBDC-CYBMUJFWSA-N 265.422 3.573 30 20 CHED CC(C)(C#N)c1ccc(Nc2ncc([N+](=O)[O-])s2)cc1 195508000 RBLNTPPERSXFJY-UHFFFAOYSA-N 288.332 3.596 30 20 CHED CCC(CC)CN(CC)Cc1ccc(F)c(C#N)c1 232875380 QFDHCGHQUDLFLM-UHFFFAOYSA-N 262.372 3.955 30 20 CHED C[C@@H](Cc1cccs1)Nc1nc(Cl)c(C#N)s1 235117695 CNJAHXUFNCMWHZ-ZETCQYMHSA-N 283.809 3.773 30 20 CHED CC[C@H](C)n1ncc(NCc2ccc(C#N)c(F)c2)c1C 421406042 ZUGZKDNPIIYIQO-NSHDSACASA-N 286.354 3.785 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H](C)S1 162911523 LAPBTZCORBAHMR-QWRGUYRKSA-N 280.824 3.537 30 20 CHED C=CCCCCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425496265 AINLPZSKPPAODZ-CQSZACIVSA-N 285.391 3.617 30 20 CHED C[C@H](Cc1coc2ccccc12)N[C@@H]1CC[C@H](C#N)C1 424330804 REEPXVZJWQTRQI-VNHYZAJKSA-N 268.360 3.646 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cnc2ccsc2c1 424328841 OWQAPSTYTXPWAG-GMXVVIOVSA-N 271.389 3.639 30 20 CHED Cc1coc2ccc(N=C(O)NC3CC(C)C3)cc12 330165267 WVNZCBKEAMDYBJ-UHFFFAOYSA-N 258.321 3.675 30 20 CHED CC[C@H](C)C[C@H](C)/N=C(/O)Nc1cc2c(cc1C)OCO2 330779216 CCQXOQZVAZEOBZ-JQWIXIFHSA-N 292.379 3.874 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](c1cccc(Cl)c1)C(C)C 92005127 ALOFCJNPLBLXCY-CABCVRRESA-N 292.810 3.888 30 20 CHED CCOc1cc(Cl)ccc1/C(O)=N/[C@@H]1CCC[C@@H]1C#N 330721336 GTYJISWESMYJCI-ZWNOBZJWSA-N 292.766 3.736 30 20 CHED Cc1cccc(CC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 515416300 XMWCVAXZTFKDAA-HNNXBMFYSA-N 292.382 3.629 30 20 CHED N#Cc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1 96939508 BMENKJJQMDOBNU-AUWJEWJLSA-N 280.714 3.704 30 20 CHED N#Cc1ccnc(SCc2ccc(C#N)cc2Cl)c1 438895168 PMZXRNZDNSLRBP-UHFFFAOYSA-N 285.759 3.771 30 20 CHED CC(C)(C)CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C 337757611 UHYXFNDOVVDNHW-UHFFFAOYSA-N 290.411 3.672 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)C1CCC(c2ccccc2)CC1 332133482 KNWJFODSIHTDMG-HIEASXQVSA-N 296.414 3.769 30 20 CHED CC[C@@H](C)Oc1cccc(NCc2cc(C#N)n(C)c2)c1 232315129 TXSDLEZSDBTFET-CYBMUJFWSA-N 283.375 3.686 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(OC)cc1C 342845075 XXORMQRBJUYVQP-UHFFFAOYSA-N 291.391 3.705 30 20 CHED C[C@@H](CN(C)[C@H](C)CC#N)c1cccc(Br)c1 245801749 XXACBIMKUYBKDB-NWDGAFQWSA-N 295.224 3.787 30 20 CHED C[C@H](NCc1cccc(F)c1)c1ccc(C#N)c(F)c1 346177199 ILAZOMGSELMQDZ-NSHDSACASA-N 272.298 3.687 30 20 CHED CCc1ccc(CN(CCC#N)CC(CC)CC)cn1 347791307 VHFMQHHFIHKHOT-UHFFFAOYSA-N 273.424 3.796 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCO[C@@]2(CCSC2)C1 246531407 VILRCKQXDYTGPB-JYJNAYRXSA-N 283.481 3.766 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2cc(C#N)cn2C)n1 341164656 DTOVKGPXOGVPPV-OLZOCXBDSA-N 284.363 3.631 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CC(F)(F)F)C(C)C 438613292 UBXMFVZQTXXTFS-GFCCVEGCSA-N 277.330 3.848 30 20 CHED C=CCC[C@@H](NCC[C@H]1CCCN1C)c1ccccc1 341948609 VDDVTIFANFZAED-QZTJIDSGSA-N 272.436 3.768 30 20 CHED C=CCCCN1CCN(Cc2c(F)cccc2Cl)CC1 605149650 KBYQOWRYRNCVLO-UHFFFAOYSA-N 296.817 3.563 30 20 CHED C=C(C)CN(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 430252491 BDYPUDSHWLZINC-UHFFFAOYSA-N 289.810 3.652 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc2ccoc2c1)OCC 343986209 NCZSXLFALJIKMD-AWEZNQCLSA-N 273.332 3.743 30 20 CHED CC(C)(C)C1CCC(Cn2cc(CCC#N)nn2)CC1 603225715 HXBMAFDOOYKBIF-UHFFFAOYSA-N 274.412 3.587 30 20 CHED Cc1ccc(C)c(NC(=O)NCC(C)(C)CCC#N)c1 348151267 IMDWWLNOYJXURN-UHFFFAOYSA-N 273.380 3.755 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cccc2c1OCO2 255038948 VQCMCDXAJYNENH-WAYWQWQTSA-N 272.325 3.681 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OC)c2cccnc12 521200153 OJROAEYUXIOKHB-UHFFFAOYSA-N 299.374 3.577 30 20 CHED CC1(C)CCCN(Cc2cccc3ncccc23)[C@@H]1C#N 602634524 RZRYKOMDYGJWNP-QGZVFWFLSA-N 279.387 3.749 30 20 CHED CC[C@H](C)[C@H]1CCCCN1CCOc1ccccc1C#N 525328539 BCEAKTGXXQCGEK-DOTOQJQBSA-N 286.419 3.838 30 20 CHED N#Cc1cccc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)n1 602636715 ZLVLOJRMSVDPRM-SJORKVTESA-N 291.398 3.769 30 20 CHED N#C[C@@H]1CC[C@H](NCCCOc2ccc3ccccc3c2)C1 442799567 ZBTASJBBHFBRMJ-QAPCUYQASA-N 294.398 3.891 30 20 CHED C=CCCN(C)C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 441940919 FLFDXXKZBKWVCX-NSHDSACASA-N 293.436 3.698 30 20 CHED N#Cc1ccncc1NCc1ccc(-c2ccccc2)o1 354324232 LSKIPRLUDKJYLB-UHFFFAOYSA-N 275.311 3.825 30 20 CHED Cc1ccc(C=NOCc2nc(CCC(C)C)no2)cc1 254971708 DOCOKYJYHICUHB-UHFFFAOYSA-N 287.363 3.517 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCCC1 449101699 GMNXDVJYVBXCMK-ZDUSSCGKSA-N 297.402 3.877 30 20 CHED C[C@@H](CCC#N)CN1CCC(c2c[nH]c3ncccc23)CC1 602446727 IOWMBMNKSAYYIC-AWEZNQCLSA-N 296.418 3.682 30 20 CHED CSc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1 602482473 CPFNKSRPPDTXQD-ZDUSSCGKSA-N 290.432 3.919 30 20 CHED CC(C)Oc1ncc(Cl)cc1N[C@H]1CC[C@H](C#N)C1 449542541 MQXJVYREQMTBRU-JQWIXIFHSA-N 279.771 3.626 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCC[C@@H](SCC)C2)CC1 356258615 FLPPLNASGYTQDI-ZIAGYGMSSA-N 281.465 3.913 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 449350323 ULZLYSRVSIBHEB-AVGNSLFASA-N 262.353 3.846 30 20 CHED CC[C@H](CC(=O)N[C@H](C#N)C(C)C)c1ccc(C)cc1 265602922 AHRWPFHMOOYUGW-GDBMZVCRSA-N 272.392 3.543 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)[C@H](C)c1ccccc1 449548634 PDHSCRCBZDSBAU-ABFRBSLYSA-N 259.393 3.502 30 20 CHED CC1CCC(CNC(=O)N[C@H](C)c2cccc(C#N)c2)CC1 610355422 QCOYCYYKDLXLPY-SHARSMKWSA-N 299.418 3.745 30 20 CHED C=C(CC)CS[C@H]1CCN(c2ccccc2F)C1=O 539095228 GTDLEIDDGNHNKV-AWEZNQCLSA-N 279.380 3.630 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C(C)(F)F)cc1 351622809 FNOXLCZPRKOHDM-AWEZNQCLSA-N 279.330 3.979 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)c(OC)cc2F)CC1 356425259 IXKXDUGUQGDTPV-UHFFFAOYSA-N 281.302 3.658 30 20 CHED CC1(C)C[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N 269868109 UEJHZZZDJMMAGV-OAHLLOKOSA-N 294.354 3.731 30 20 CHED C=CCCCCCN(C)c1nc(C)cc(C)c1C#N 610077381 WIYPVTZXCHERDV-UHFFFAOYSA-N 257.381 3.753 30 20 CHED Cc1ncc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)s1 611476012 XNAORWYZWORZFB-LLVKDONJSA-N 283.400 3.663 30 20 CHED C=C1CCN(C(=O)[C@@H](C)CCc2ccccc2F)CC1 266399212 YBOITDPELADYIW-AWEZNQCLSA-N 275.367 3.573 30 20 CHED Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C)n1 356362662 STZHBSSXEHRENO-MRXNPFEDSA-N 293.370 3.725 30 20 CHED C=CCC[C@H](NC(=O)[C@@H]1[C@@H](C)C1(F)F)c1ccccc1 359337189 AGCLIADTFSAPAP-XBFCOCLRSA-N 279.330 3.711 30 20 CHED C=CCN(Cc1cccc(C#N)c1)CC1(SC)CCC1 356065682 OVIQTAIJPHHDAH-UHFFFAOYSA-N 286.444 3.832 30 20 CHED C[C@@H](NC(=O)c1cccc(Cl)c1)c1cccc(C#N)c1 610361355 ARSOZAIYTCDJEA-LLVKDONJSA-N 284.746 3.703 30 20 CHED CCN(CC)CCC[C@@H](C)NC1CCC(C)(C#N)CC1 449219034 MASTZLAOWQEUFU-KLAILNCOSA-N 279.472 3.559 30 20 CHED C=CCC1(CNC(=O)[C@H](C)c2nc(C)cs2)CCCC1 615977634 ZFLSHLHOINIBPB-ZDUSSCGKSA-N 292.448 3.808 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1CCCn2nc(C(C)C)nc21 449194458 PDHMYQLVLLTRSP-LSDHHAIUSA-N 290.455 3.961 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 351758857 KGQORDNHPQQHOB-AWEZNQCLSA-N 269.392 3.798 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N 610280325 LEFPKOSJESGXHM-IRXDYDNUSA-N 293.326 3.609 30 20 CHED COc1c(Cl)cccc1NC[C@@H](C)CCC#N 618888321 PSJWCCXCGDYAAX-JTQLQIEISA-N 252.745 3.700 30 20 CHED CCCCC(=O)Nc1ccccc1SCCC#N 264555880 PQJGDXGTJVOEAK-UHFFFAOYSA-N 262.378 3.821 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(F)cn1 619754678 HNXOLYHDZGRXOU-JTQLQIEISA-N 289.741 3.597 30 20 CHED N#CCC[C@H](NCc1ccc(O)cc1)c1ccccc1 611526507 XTWDDCGKCQWQLN-KRWDZBQOSA-N 266.344 3.527 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1C[C@]12CCCc1ccccc12 452775014 NIVCGCRFLNIUNF-APWZRJJASA-N 283.415 3.609 30 20 CHED CC1(C)[C@@H](CN[C@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccccc1 459707462 JHHLELGIOGYVKT-IWCQGFGOSA-N 268.404 3.708 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)no1 453071693 CZBVKGDESLLHKR-WPPNPWJKSA-N 294.141 3.845 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(-c3cnco3)c2)C1 617777533 RCOYXLCASWKDNY-AWEZNQCLSA-N 296.370 3.770 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ccc(F)cc21 618803177 GZSSXQULQBIEPG-RTBURBONSA-N 292.357 3.962 30 20 CHED C=C(C)COCCN[C@H]1c2cccc(F)c2CC[C@@H]1C 539060535 TUQBHGKPTQXDQD-SUMWQHHRSA-N 277.383 3.631 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](CCC#N)c1ccccc1 454729426 XUIZHOFEDZBOIX-OAHLLOKOSA-N 285.391 3.543 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC(C)(C)[C@H]1c1ccccc1 619549824 NYHPZBITEWAHNB-MRXNPFEDSA-N 294.354 3.683 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCCC[C@@H]2C(C)C)c1 455956990 PINSHRIRNAYTPJ-MRXNPFEDSA-N 285.391 3.909 30 20 CHED Cc1c(Cl)cnc(N[C@H](C)c2cccc(C#N)c2)c1C#N 612084531 IOEONUXVAHAYNN-LLVKDONJSA-N 296.761 3.960 30 20 CHED C#CCCCCC(=O)N1CCCC[C@@H]1c1ccccc1 273855196 KWCDZDYZGYMNBN-QGZVFWFLSA-N 269.388 3.934 30 20 CHED C=CCC(C)(C)CNCc1ccnn1-c1ccccc1OC 549829416 HSCBLPAESHGELY-UHFFFAOYSA-N 299.418 3.573 30 20 CHED C=C(CC)CNC(=O)N1[C@@H](C)C[C@H](CC(F)(F)F)[C@H]1C 459082244 GCSFHQFAXGRUJL-QJPTWQEYSA-N 292.345 3.714 30 20 CHED C[C@H]1CCC[C@H](C)N(c2ncc(C#N)cc2Cl)C1 361093636 BLLCXBHJFMXTOB-QWRGUYRKSA-N 263.772 3.622 30 20 CHED N#Cc1cc2c(nc1SCC1CC(F)(F)C1)CCCC2 450753208 HSRQOPAVUGYTSE-UHFFFAOYSA-N 294.370 3.969 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](c2ccccc2F)C1 276909502 KKHYCMAWUODIKJ-SUMWQHHRSA-N 275.367 3.744 30 20 CHED C=C(C)[C@H](CC(=O)Nc1scnc1C(C)C)OCC 456444408 WHTDCXRXOUJAMF-NSHDSACASA-N 282.409 3.576 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCC(C)(C)CC#N)CC3 459660001 APBXXJIWPHJMFZ-AWEZNQCLSA-N 295.430 3.863 30 20 CHED C=CCSCCNC(=O)Nc1cccc2c1CCCC2 541903238 AKMMDYWHCLHTQJ-UHFFFAOYSA-N 290.432 3.606 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(C)CC(C)(C)C#N 458587327 MWISVUHGXABZJL-CJNGLKHVSA-N 299.418 3.501 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)NCCCC#N)c1C 275828096 ANVKIBWJEKYADO-UHFFFAOYSA-N 282.343 3.597 30 20 CHED C=CC[C@H]1N(C(=O)Nc2cnn(CC)c2)CCCC1(C)C 278357518 WTXKJGNIAULDFN-CQSZACIVSA-N 290.411 3.502 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 459665237 KFAQZGWWFCNTAH-FBKDDSFISA-N 278.758 3.617 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1C[C@@H](C(C)C)c2ccccc21 451233683 ZIQLWGVFIYLZMZ-INIZCTEOSA-N 293.370 3.595 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)CCCCC1 456359961 CRXOSXJZFNWXKP-HZPDHXFCSA-N 293.451 3.977 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1CCC(=O)c2ccccc21 620857089 NAEWJCNMXVTQJE-HNNXBMFYSA-N 285.387 3.608 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 541131623 HUTFUUDIROAJIG-YESZJQIVSA-N 293.451 3.787 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2c(F)cncc2F)CCCC1 451749972 SKXSMASKZITGIR-LLVKDONJSA-N 294.345 3.674 30 20 CHED Cc1cccc(C)c1CNC1(c2cccc(C#N)c2)CC1 271758919 HMJOSNGQDKUEKK-UHFFFAOYSA-N 276.383 3.954 30 20 CHED CC[C@H](NCCCC(F)(F)F)c1ccc(C#N)cc1 278664999 IXRJVRKQRDIIHG-ZDUSSCGKSA-N 270.298 3.941 30 20 CHED CC#CCCCC(=O)N[C@H](c1cccc(C)c1)C(F)(F)F 466262686 UTLYAVSKRSOREQ-OAHLLOKOSA-N 297.320 3.908 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 547393541 RRFJFEZCFFCXBM-DOMZBBRYSA-N 272.392 3.577 30 20 CHED C=CCCN(C)C(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 276349017 HHPUVGLFFDCMRE-LBPRGKRZSA-N 293.794 3.583 30 20 CHED C[C@@H]1CCN(c2ccc(Cl)c(C#N)n2)CC12CCC2 540024825 RUCJSLASPGSOBD-LLVKDONJSA-N 275.783 3.623 30 20 CHED C[C@H](C#N)CNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 541017931 BOLSZFWTTIYQFZ-CABCVRRESA-N 299.418 3.719 30 20 CHED CCO[C@@H](CNc1snc(C)c1C#N)c1ccccc1 286151172 APAZCGPPLNXSLD-AWEZNQCLSA-N 287.388 3.513 30 20 CHED C[C@H](N=c1[nH]ccc(C#N)c1Cl)[C@H](C)c1ccccc1 553486143 QJQJUGCWBCEJKK-RYUDHWBXSA-N 285.778 3.633 30 20 CHED C=CCCCCCCNC(=O)C[C@H](C)c1c(C)n[nH]c1C 286991077 JYAWXRBBLWUXFR-ZDUSSCGKSA-N 291.439 3.773 30 20 CHED C=CCC[C@H](C(=O)N[C@H]1CSC[C@@H]1C)c1ccccc1 552664072 RHVBJTRJWNSXJY-BPUTZDHNSA-N 289.444 3.604 30 20 CHED Cc1cc(C#N)cnc1-c1nc(C2CCC(C)CC2)no1 556284884 CNOJQPSTTIOARB-UHFFFAOYSA-N 282.347 3.605 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 559707461 ASCXJFWSRMJLII-OAHLLOKOSA-N 294.483 3.606 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(-c2ccnn2C)ccc1C 281083636 OGFRUTNRTFWQNX-SFHVURJKSA-N 297.402 3.936 30 20 CHED Cc1cc(NCc2cccc(OCC(C)C)c2)cc(C#N)n1 553001608 GNXNAVDVFANBCQ-UHFFFAOYSA-N 295.386 3.909 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H]2c2ccc[nH]2)c1 285249091 RQQLHVFQSJFEAH-HNNXBMFYSA-N 299.761 3.517 30 20 CHED CC[C@@H](N[C@H]1COc2ccccc2C1)c1ccc(C#N)cc1 556064087 RZBZBVNZFSKJPF-QZTJIDSGSA-N 292.382 3.603 30 20 CHED C=CCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CC1 466806930 PBHVVNOFJMQCKL-UHFFFAOYSA-N 292.810 3.589 30 20 CHED C=CCN(C)c1nnc([C@H](C)CC)n1CCc1ccccc1 558945142 PNFRYUPWQVYETC-OAHLLOKOSA-N 298.434 3.657 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC[C@H]1C 281355025 WZTMJIHRTUEILK-ZIAGYGMSSA-N 284.403 3.606 30 20 CHED C=CCOc1cccc(CN[C@H](C)c2cnc(C)s2)c1 631224357 USNXTVWZITZLNW-GFCCVEGCSA-N 288.416 3.867 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 557020808 SMGUOCJTUIWFDL-UKRRQHHQSA-N 299.418 3.549 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](OC)[C@@H](C)CC 477142796 VRDDYCCBJHBFBD-DOTOQJQBSA-N 289.419 3.652 30 20 CHED C[C@@H](CC(C)(C)C)C(=O)N[C@H](C#N)c1ccccc1F 476229392 BFTRNZHPHMEFKB-SMDDNHRTSA-N 276.355 3.579 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)[C@]1(C#N)CC12CCCC2 294287308 UWPRFZVADJSVHN-DNVCBOLYSA-N 296.414 3.598 30 20 CHED C=CCSc1ccccc1C(=O)N(C)c1ncccc1C 471300253 LFKJIUHWUOTPDT-UHFFFAOYSA-N 298.411 3.945 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCCC1(C)C 476253106 CUCLHVSZQGJOIH-CYBMUJFWSA-N 256.349 3.632 30 20 CHED C#CCCCCCC(=O)NC[C@H]1CCCC(F)(F)C1 800047558 NQVKCHZPUDGGBL-ZDUSSCGKSA-N 271.351 3.512 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2ccsc2)CC1 295797492 SDCHPGMFLVPTEW-UHFFFAOYSA-N 263.406 3.666 30 20 CHED C=CCOC(=O)CCc1ccc(-c2ccccc2)o1 807503370 WQMQVJCGLQYMEO-UHFFFAOYSA-N 256.301 3.608 30 20 CHED Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2C)ccc1C#N 807989406 MPYORLDHHOSKTA-UHFFFAOYSA-N 294.314 3.529 30 20 CHED C[C@H](NC(=O)CC(C)(C)C1CC1)c1ccc(C#N)cc1 292884896 VCQLWPIDVWNSNB-LBPRGKRZSA-N 270.376 3.562 30 20 CHED C#C[C@H](CC)NC(=O)Nc1c(CC)cc(C)cc1CC 806506342 PUWKSWWBBPRWIX-OAHLLOKOSA-N 272.392 3.653 30 20 CHED C[C@@H](C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C 800804101 RNHKLPVTCNQEJB-VIFPVBQESA-N 294.311 3.583 30 20 CHED C#C[C@H](Nc1cc(C)nc(C)n1)c1ccc(Cl)cc1F 804808933 XXNFIYPWIGSDRM-AWEZNQCLSA-N 289.741 3.672 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(-c2nccs2)cc1 806149802 IDPWQSJNZGCWND-CYBMUJFWSA-N 299.399 3.734 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 479532511 PZJBQRRTKONDKG-OAHLLOKOSA-N 261.340 3.846 30 20 CHED CC#CC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 801150580 BNDSKFSRHTVPMR-INIZCTEOSA-N 275.779 3.711 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 803750903 OSQCLIUBGSSDNZ-VNQPRFMTSA-N 278.392 3.671 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(OC)c(O)c1 561575976 JSNVQKFFOLDLGH-ZDUSSCGKSA-N 263.381 3.625 30 20 CHED Cc1ncsc1/C=C\C(=O)c1nccc2ccccc12 811699255 PTKJCUMHQBKIHX-SREVYHEPSA-N 280.352 3.896 30 20 CHED CC(C)OCCON=Cc1cc(-c2ccccc2)ccc1O 812239829 BAAGUNQDYKEVEG-UHFFFAOYSA-N 299.370 3.835 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NOC[C@@H](C)CC 813822368 JUCRQEJMKGQTHC-ZDUSSCGKSA-N 294.370 3.501 30 20 CHED C[C@@H]1SCCC1=NNc1cccc(Br)c1 814786338 FHFDACSFZCMTHW-QMMMGPOBSA-N 285.210 3.742 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2ccc([N+](=O)[O-])cc2)CS1 814682473 NGBJZLBAIZAWDT-ZDUSSCGKSA-N 293.392 3.914 30 20 CHED C=CCn1cccc1C(=O)Nc1nc2ccccc2s1 488562634 OEAOFXAOHBUXRF-UHFFFAOYSA-N 283.356 3.536 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CCC[C@H]1CCCC 815337557 RDWGHWPIXRRQGD-NEPJUHHUSA-N 259.340 3.673 30 20 CHED COc1cccc(O)c1/C=N/Cc1nc2ccccc2s1 812396225 NFXFDBCSMKZPTR-RQZCQDPDSA-N 298.367 3.630 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)nc1C 819515109 KUAMVRGIOOITPE-UHFFFAOYSA-N 252.745 3.584 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)c(F)c1 486770217 GPLGCMCGBNUEQG-ZDUSSCGKSA-N 262.328 3.707 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2nccs2)cc1 814811514 IGLJZIISYXOUPP-LBPRGKRZSA-N 273.405 3.951 30 20 CHED N#Cc1ccc(Oc2ccnc(-c3ccccc3)n2)c(F)c1 486904173 SQSCMMUDQZJTHX-UHFFFAOYSA-N 291.285 3.947 30 20 CHED C=CCC(F)(F)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 816068006 HCHQFICKRYLINU-VIFPVBQESA-N 298.358 3.828 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CS[C@@H](C(C)C)C1 488558752 LQZHKTFCPMJVAG-CZUORRHYSA-N 290.432 3.899 30 20 CHED C=CCCCCCCCNC(=O)c1nc(C)oc1C 814323822 KBNNADCKVOIZHT-UHFFFAOYSA-N 264.369 3.548 30 20 CHED C=CCC(F)(F)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 816347119 OHWYTUVYUMMQFM-CABCVRRESA-N 293.357 3.725 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCc3ccsc3)c2c1 487934909 XVPLNOUJYSOJOI-UHFFFAOYSA-N 279.368 3.510 30 20 CHED C#C[C@H](NC/C(C)=C\c1ccccc1COC)C(C)(C)C 816612346 MSQPPPFKEMSVRW-NZHZHZHDSA-N 285.431 3.874 30 20 CHED N#Cc1ccc(NN=CCC(F)(F)F)cc1C(F)(F)F 817326843 XRSVKSWTEQHNEL-UHFFFAOYSA-N 295.186 3.927 30 20 CHED N#CCC1(OC(=O)c2cc(-c3ccccc3)ns2)CCC1 810855156 BCPBALLVIKTHJJ-UHFFFAOYSA-N 298.367 3.803 30 20 CHED C=CCC(F)(F)C(=O)NC[C@@H](Cc1ccccc1)C(C)C 816408496 LGQBISASPZNNHU-OAHLLOKOSA-N 295.373 3.829 30 20 CHED C=CC1CCN(C(=O)C[C@@H]2CCc3ccccc3C2)CC1 480050749 KRTINNWZOSFBHV-MRXNPFEDSA-N 283.415 3.606 30 20 CHED CC(C)OCCON=C1CCC[C@H]1c1ccc(F)cc1 812238572 ADRATNYGDOFGDR-HNNXBMFYSA-N 279.355 3.891 30 20 CHED Clc1cccnc1NN=Cc1nc2c(s1)CCCC2 814810568 QLNVSMMVACBXIE-UHFFFAOYSA-N 292.795 3.516 30 20 CHED C=CC[C@@H](CC)NCc1cn(-c2ccccc2F)nc1C 655769962 UIYMUPFAKMQHMJ-OAHLLOKOSA-N 287.382 3.764 30 20 CHED CCCNN=C(C)c1csc(-c2csc(C)n2)c1 729141689 CVCRNNGSGVFOIL-UHFFFAOYSA-N 279.434 3.904 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)cc1OC 728232459 SYLIZETUIUKQGT-DAXSKMNVSA-N 298.338 3.614 30 20 CHED C/C=C/c1ccc(NC(=O)NCc2cccc(C#N)c2)cc1 497332586 XUSREPSMJBZGAK-DUXPYHPUSA-N 291.354 3.913 30 20 CHED N#Cc1ncccc1N[C@H]1CC[C@H](c2cccc(F)c2)C1 579557614 BQYQCZMAPMEHOQ-ZFWWWQNUSA-N 281.334 3.841 30 20 CHED C#CCOc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 826858139 XCICXRKMLPBWDR-UHFFFAOYSA-N 296.370 3.501 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc3c(c2)CCC3)no1 576317989 ZEOWTALXKJYFHV-SFHVURJKSA-N 298.386 3.706 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 668854616 KBHWVCAOEHBYAG-USXIJHARSA-N 271.404 3.726 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc2ccccc2n1 821445173 YROODPMXTZABSQ-UHFFFAOYSA-N 269.344 3.880 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccccc1OCCF 667166327 VXJHONLULYKLDK-UHFFFAOYSA-N 294.370 3.901 30 20 CHED Fc1cccc(Cl)c1CON=C1CCCOCC1 588398540 KYJXRDTVIPLEGO-UHFFFAOYSA-N 271.719 3.552 30 20 CHED C=C(Br)CN1CCCC[C@H](SCC)C1 732590135 HYRSJVKKXRDVQV-NSHDSACASA-N 278.259 3.503 30 20 CHED C=CCC1(NC(=O)N[C@H](C)c2ncc(C)s2)CCCC1 664335860 YDADBVJOZCFFKC-GFCCVEGCSA-N 293.436 3.701 30 20 CHED N#CC1(c2ccc(-c3cncc(F)c3)cc2)CCC1 906153847 WDUPDXWTSDNAKL-UHFFFAOYSA-N 252.292 3.833 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sc(-c2ccccc2C)nc1C 491628436 OJWHTECSDSTJEP-LBPRGKRZSA-N 298.411 3.521 30 20 CHED C#C[C@H](NC(=O)N(CC)CCC)c1ccc(Cl)cc1F 820737481 DTSRAWBEYOJMJD-AWEZNQCLSA-N 296.773 3.595 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(C(C)C)n1 839055082 DXDMNDOHDDAVLY-KGLIPLIRSA-N 286.375 3.753 30 20 CHED Cc1ccc(CN(C(=O)C#CC(C)(C)C)C2CC2)cc1C 837432780 ZJAHQZXGCXZMFW-UHFFFAOYSA-N 283.415 3.844 30 20 CHED N#Cc1cc(F)cc(OCCCOc2ccc(F)cc2)c1 588830656 KAYJHDIAUIFWAH-UHFFFAOYSA-N 289.281 3.684 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccnn1CC1CC1 667557090 MZNDHFGORMLYIZ-UHFFFAOYSA-N 295.430 3.524 30 20 CHED C[C@H](C#N)OC(=O)c1c(F)ccc(SCC2CC2)c1F 838146790 PUJFPHHRISVDSG-MRVPVSSYSA-N 297.326 3.536 30 20 CHED CCc1oc2ccccc2c1/C=C\C(=O)c1ccnn1C 588594936 GSCSTTCRZMGDEO-HJWRWDBZSA-N 280.327 3.625 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C(C2CCC2)C2CCC2)C1 839064311 WDPIHCSNPMBQTJ-DOMZBBRYSA-N 275.392 3.828 30 20 CHED CC(C)C[C@H](C)CC(=O)NC1(c2cccc(C#N)c2)CC1 582682701 WQZBJQULWFLGDJ-AWEZNQCLSA-N 284.403 3.736 30 20 CHED O=C(C#CC1CC1)N[C@H](c1ccc(Cl)cc1)C1CCC1 837396753 LMSSUZXDPPACFL-KRWDZBQOSA-N 287.790 3.711 30 20 CHED C#CCN(C(=O)C[C@@H]1CCc2ccccc21)C1CCCCC1 734391074 VXSYXEVGXTYMMM-KRWDZBQOSA-N 295.426 3.901 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(CC(C)C)c1ccc(C)cc1 837070661 ZZCUWFTUFOJHIQ-SJORKVTESA-N 287.403 3.575 30 20 CHED CCC(CC)NN=Cc1ccccc1Br 734366505 UTOSSMIPOSJSPD-UHFFFAOYSA-N 269.186 3.561 30 20 CHED CCC(=NNc1nccnc1C(C)C)C1CCCC1 834978471 UAAPQPRQZRZSAW-UHFFFAOYSA-N 260.385 3.968 30 20 CHED C=CCC[C@H](C(=O)O[C@@H]1CCOC[C@H]1C)c1ccccc1 835771467 KBXOVSLPVKICRQ-HYVNUMGLSA-N 288.387 3.705 30 20 CHED CCc1ccc([C@H]2CCN(Cc3ccc(C#N)cn3)C2)cc1 582249828 ZYDKXPNJONAOIQ-SFHVURJKSA-N 291.398 3.505 30 20 CHED C=CCON=C[C@H](C)c1ccc(C(F)(F)F)cc1 835013218 MDKRKSHGCSBHNM-JTQLQIEISA-N 257.255 3.997 30 20 CHED CCCn1ncc(N[C@@H]2CCC[C@@H](C#N)C2)c1C1CC1 590655927 UDQCYIGFOIWFKP-TZMCWYRMSA-N 272.396 3.665 30 20 CHED C=C(Cl)COC(=O)c1ccc(OCC(F)(F)F)cc1 914818531 XLYMXXMGXSSYEM-UHFFFAOYSA-N 294.656 3.537 30 20 CHED CC(=NNc1ccccc1)c1ccc2c(c1)COC2 743418698 HDZCHFYBWGBSCZ-UHFFFAOYSA-N 252.317 3.553 30 20 CHED CCOc1cc(Cl)ccc1NC(=O)C#CC(C)(C)C 837466148 LGVTUSRZJGTXBZ-UHFFFAOYSA-N 279.767 3.727 30 20 CHED C#CCOc1cccc(NC(=O)N[C@@H](C)C[C@@H](C)CC)c1 743147084 MEPCODHXVLXENR-KBPBESRZSA-N 288.391 3.645 30 20 CHED C#C[C@@H](C)OC(=O)c1cc2c(s1)-c1ccccc1CC2 744180699 UVLMFCSWTGPIPC-LLVKDONJSA-N 282.364 3.692 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)NCC#Cc1ccccc1 590614866 AMBIFJHLYPZJQK-QZTJIDSGSA-N 298.430 3.696 30 20 CHED C#CCN(C(=O)/C=C(/C)c1ccccc1)C1CCCCC1 743689854 FVCACTZUBZNBPH-NXVVXOECSA-N 281.399 3.884 30 20 CHED CC(C)O[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 593053923 OIXFSZSBHQGRMJ-YOEHRIQHSA-N 272.392 3.509 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 593616396 ITWBVNWVMBXAOK-HUUCEWRRSA-N 284.403 3.553 30 20 CHED CC(=NNc1cccc(F)n1)[C@H]1C[C@H]2C=C[C@H]1CC2 842533926 XGAINCAOOVPYAH-RWMBFGLXSA-N 259.328 3.611 30 20 CHED N#Cc1cnc(N2CCC(c3cccc(F)c3)CC2)c(F)c1 840272341 XFMPUYNKOAACMN-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=CCN(C(=O)N[C@H](C)Cc1cc(C)cc(C)c1)C(C)C 745878949 VZTXAPYHXZXETP-MRXNPFEDSA-N 288.435 3.840 30 20 CHED CCOc1ccc(/C=N/CCCOC2CCCC2)c(O)c1 747033724 UHWUTFNKNNOGLZ-QGOAFFKASA-N 291.391 3.559 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)Cc2ccccc21 916152494 SHJNBGHLVPNPDT-CQSZACIVSA-N 262.356 3.678 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C=C\C2CCCC2)cc1 843596061 YMOFBJATZZHYGN-QJWNTBNXSA-N 282.387 3.676 30 20 CHED N#Cc1ccc(CNc2ccc(OCC(F)F)cc2)cc1 748237348 AJOSOLRHPHXFIJ-UHFFFAOYSA-N 288.297 3.814 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2)C1 597177468 MUAINWUPKCKBQS-NSHDSACASA-N 266.747 3.605 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2cccc(C3CC3)c2)C1 841255716 LOUSYBIWGMYMKL-PBHICJAKSA-N 283.371 3.732 30 20 CHED C[C@@H]1C[C@H](CC(=O)N2CCC[C@H](CC#N)C2)CC(C)(C)C1 597913977 SKTGWKUKKKMTNZ-BZUAXINKSA-N 290.451 3.991 30 20 CHED CCC(C#N)(CC)C(=O)N(C)CCc1ccc(Cl)cc1 599496761 JRLYHRQNFQLIQS-UHFFFAOYSA-N 292.810 3.671 30 20 CHED CC(=NNc1ncccn1)c1ccc(C(C)(C)C)cc1 912973344 VBRGCVDKFDPYKK-UHFFFAOYSA-N 268.364 3.610 30 20 CHED CC(=NOCCC(F)(F)F)[C@@H]1C[C@H]2C=C[C@H]1CC2 842532151 WRAPAXBZLYAHSH-SRVKXCTJSA-N 261.287 3.934 30 20 CHED C=CCCSCCN[C@H]1Cc2[nH]c3ccccc3c2C1 595059826 PKUZQPZBIHHWRJ-CYBMUJFWSA-N 286.444 3.534 30 20 CHED FC(F)CON=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 841633374 VORPOLGPNUPESB-OAHLLOKOSA-N 294.345 3.624 30 20 CHED CC#CCOC(=O)/C=C(/CC)c1cccc(Cl)c1 745759217 QYKPTFVISBYANS-QXMHVHEDSA-N 262.736 3.700 30 20 CHED N#CC1(CC(=O)Nc2nc(C3CC3)cs2)CCCCC1 596894961 STRHKIWLANTCPK-UHFFFAOYSA-N 289.404 3.823 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccc2c(c1)CC(=O)N2 915950854 VIENMASDKDDAAS-UHFFFAOYSA-N 293.370 3.634 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1cnc(C)nc1C 741455839 MYTXTYWHORDEIZ-UHFFFAOYSA-N 268.364 3.546 30 20 CHED C[C@H](OC(=O)c1cc2ccccc2[nH]1)c1ccc(C#N)cc1 748679550 KKPXGDRYIASAGS-LBPRGKRZSA-N 290.322 3.958 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cnc3c(C)cccn13)C2=O 741467509 MPDFXJAEOLXXKT-XNTDXEJSSA-N 288.350 3.774 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 743083747 BTJYCMXNHAFDPW-HLLBOEOZSA-N 282.387 3.758 30 20 CHED CCc1cccc(/C=C\C(=O)c2cnn(C(C)C)c2)c1 844548861 XLKILCVCXITMHT-HJWRWDBZSA-N 268.360 3.923 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(N=S(C)(C)=O)cc1 848122818 RPVKXCJRRWDWBJ-UHFFFAOYSA-N 294.420 3.587 30 20 CHED Cc1sc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c(C#N)c1C 593003755 NRNLBBVPJGIZFV-FRRDWIJNSA-N 286.400 3.777 30 20 CHED Cc1oc(C#N)cc1-c1nc(C2C(C)(C)C2(C)C)no1 599196060 LSGRTHGOKFKRLD-UHFFFAOYSA-N 271.320 3.659 30 20 CHED Cc1ccc2c(C(=O)OCc3cccc(C#N)c3)c[nH]c2c1 920609518 UVMYFEFSEGLMBC-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1cn(C(C)C)nc1C 847674612 UXAGGUDNHZGXLS-GFCCVEGCSA-N 264.369 3.674 30 20 CHED CCC/C(C)=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(CC)cc1 920324574 PXBPUELPZZTZTR-BYIUCRAPSA-N 298.386 3.643 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1(c2ccc(F)cc2)CC1 925848096 ZXPQDMUOXISDST-LBPRGKRZSA-N 260.356 3.733 30 20 CHED O=C(O)c1cccc(NN=Cc2ccccc2C2CC2)c1 751130551 CUXNYAKYFIGHKH-UHFFFAOYSA-N 280.327 3.708 30 20 CHED CC(C(=O)N[C@H](C)c1cccc(C#N)c1)=C1CCCC1 753625585 LOOFHUGOJPKJHT-CYBMUJFWSA-N 268.360 3.626 30 20 CHED C=C1CCN(C(=O)Nc2ccc(SC)cc2)CC1 929441825 RZHYGWHPJRPUFI-UHFFFAOYSA-N 262.378 3.592 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 929614472 GBFWINCCDVSQLV-LBPRGKRZSA-N 286.375 3.576 30 20 CHED Cc1cc(COC(=O)C[C@H](C)c2ccco2)ccc1C#N 859812133 IXQDIVXLMMDNIT-ZDUSSCGKSA-N 283.327 3.697 30 20 CHED C#C[C@@](C)(CC)N[C@H](C)c1nc2ccccc2n1C(F)F 852101508 QDJZDXYTWWJUKF-BZNIZROVSA-N 291.345 3.884 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 929617487 ADLKASRSFKVDQU-LLVKDONJSA-N 294.782 3.839 30 20 CHED C=CCCC(=O)Nc1ccccc1COC(C)(C)C 928395301 KOLXTPFIASRJNO-UHFFFAOYSA-N 261.365 3.906 30 20 CHED CCc1nc(C=NNc2cccc3cnccc23)cs1 755697322 DGUBIKRKESSNBC-UHFFFAOYSA-N 282.372 3.700 30 20 CHED COCc1cccc(/C=C/C(=O)c2cc(F)ccc2O)c1 757467379 DSAGOVSNLPPLMU-FNORWQNLSA-N 286.302 3.574 30 20 CHED CC[C@]1(C)CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 758398156 ULACJKKNJRILIL-GOSISDBHSA-N 294.402 3.501 30 20 CHED CCCCCCCCOc1cccc(F)c1C(N)=O 758903719 PCECZQMHBAEIDT-UHFFFAOYSA-N 267.344 3.664 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O 756790210 MJQRBVHZOGQNQY-QWHCGFSZSA-N 291.391 3.574 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1csc(C2CC2)n1 851210395 QCEIDHQAEWQYSS-SECBINFHSA-N 278.377 3.506 30 20 CHED C#CC[C@H](Nc1cnc2ccccc2n1)c1ccccc1 756953727 QCURVSOKDLOQTL-HNNXBMFYSA-N 273.339 3.806 30 20 CHED CC(=NNC1CC1)c1ccc(Cl)c(C(F)(F)F)c1 758133283 OAGMAGOCIGLYGJ-UHFFFAOYSA-N 276.689 3.835 30 20 CHED C=C[C@@H](CC(=O)Oc1ccc2c(c1)OCO2)c1ccccc1 759183052 DDSDGZIKXPZMQE-ZDUSSCGKSA-N 296.322 3.681 30 20 CHED C[C@H](C=NOCC(F)F)c1cccc(Br)c1 758904241 SVJALSDPWKBBJX-MRVPVSSYSA-N 292.123 3.820 30 20 CHED C1CC[C@H](ON=C2CC[C@@H]3CCCC[C@@H]3C2)OC1 755819497 VBESFIPJGZQMAR-GUTXKFCHSA-N 251.370 3.876 30 20 CHED C=CCCC(C)=NNc1cccc(C(F)(F)F)n1 758126091 WQNZNPDFVPIKCD-UHFFFAOYSA-N 257.259 3.854 30 20 CHED CCCCCCCCNC(=O)N1C2CCC1CC2 755078772 RGZWQCCKPHLAJP-UHFFFAOYSA-N 252.402 3.683 30 20 CHED C=CCC1(NC(=O)[C@@H](F)Cc2ccccc2)CCCC1 855927170 FFTIKDAXOWHKJC-HNNXBMFYSA-N 275.367 3.572 30 20 CHED O=C(/C=C/c1ccc(Cl)s1)c1cscn1 769262431 BYPMOHNVJIJPGL-HNQUOIGGSA-N 255.751 3.754 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1COC(C)(C)C 932537136 CJQMIMMDDVRCDU-UHFFFAOYSA-N 276.380 3.651 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc([C@@H]2C[C@@H]2C)o1 761884302 DDKXGPGAAVTFRA-GXFFZTMASA-N 288.322 3.997 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(Cl)c(F)c1 860197689 FAPGRVNKNLAZKV-UHFFFAOYSA-N 283.730 3.852 30 20 CHED C=CCCC(=O)COC(=O)CC[C@H](C)c1ccccc1 761425383 DVTOVFOZVAWBMK-AWEZNQCLSA-N 274.360 3.649 30 20 CHED C#CCCc1noc(-c2ccc3c(c2)-c2ccccc2C3)n1 762017775 NHHQOXXEKKJFGT-UHFFFAOYSA-N 286.334 3.874 30 20 CHED Cc1ccnc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 933612429 QXOFXWVHBRXFMY-UHFFFAOYSA-N 291.398 3.641 30 20 CHED CC(=NOCC(F)(F)F)c1cccc(OC(F)F)c1 764834525 DMOORMFQTYILLO-UHFFFAOYSA-N 283.196 3.591 30 20 CHED CCCCCCCC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 760190805 RAAPROYCJXWKNF-UONOGXRCSA-N 281.396 3.568 30 20 CHED CC#CCCOC(=O)[C@H](OC1CCCC1)c1ccccc1 760294310 GWGAKQRBRRMWKH-QGZVFWFLSA-N 286.371 3.644 30 20 CHED CCCCCCCCC(=O)OCC(=O)N1CCC[C@H](C)C1 866458705 OYKHABWPRKIHQG-HNNXBMFYSA-N 297.439 3.539 30 20 CHED C#CCC(C)(C)C(=O)OCc1ncc(-c2ccc(C)cc2)o1 767645491 ZWJMSIJJFVJNGH-UHFFFAOYSA-N 297.354 3.743 30 20 CHED C[C@@H]1C[C@@H](CC(=O)[C@H](C#N)c2ccncn2)CC(C)(C)C1 760351214 DGTRLQVNSIPHQB-HZSPNIEDSA-N 285.391 3.505 30 20 CHED CC(=NNc1cc(Cl)ccc1F)C1CCOCC1 872418311 KFSZXAQJKFUEBN-UHFFFAOYSA-N 270.735 3.694 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(Cl)nc2Cl)cn1 779357677 BUOUPJOJCLPDKR-HYXAFXHYSA-N 296.157 3.501 30 20 CHED C#CCCCCc1nnc(C23CC4CC(CC(C4)C2)C3)o1 1117176576 GIOKTNISIWDPMJ-UHFFFAOYSA-N 284.403 3.883 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2cccnc2c1 870470070 LPVYURNOCOTQGG-LBPRGKRZSA-N 282.343 3.720 30 20 CHED C[C@@H]1CC(C(=O)Oc2ccc(C#N)cc2F)C[C@@H](C)C1 779985764 IMKATYCODGKICF-QWRGUYRKSA-N 275.323 3.675 30 20 CHED C[C@@H](CCC#N)CNc1ccc2c(c1)CC(C)(C)O2 877160424 LMYKQEVAGBQRMF-LBPRGKRZSA-N 258.365 3.752 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)Cc1ccccc1 779913813 LERLZBMGINSKER-UHFFFAOYSA-N 285.431 3.955 30 20 CHED CSC(C)(C)CCNc1ccc(F)cc1OCC#N 877177303 SNVRJKLMGDZNER-UHFFFAOYSA-N 282.384 3.672 30 20 CHED COc1ccccc1C=NOCc1nc2ccccc2s1 1118179015 JLZLQLHULCYPGQ-UHFFFAOYSA-N 298.367 3.856 30 20 CHED CC(C)Sc1ccc(C(=O)OCC2(C#N)CC2)cc1 775849366 HZSSXAIIHGTUGB-UHFFFAOYSA-N 275.373 3.648 30 20 CHED C(=NOC1CCCCC1)c1c[nH]nc1-c1cccs1 777460897 ZNNPTFYWHAYQQO-UHFFFAOYSA-N 275.377 3.821 30 20 CHED CC#CCOC(=O)c1sc(C2CCCCC2)nc1C 775123312 RBGKEXLPYRNEHH-UHFFFAOYSA-N 277.389 3.679 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OC/C=C\c1ccccc1 775071388 AFKJYNPFZQGENQ-IIBIBAHBSA-N 289.334 3.828 30 20 CHED C[C@H](C#N)CNN=C1C[C@H](C)C[C@@H](c2ccccc2)C1 771101480 ZOVOCMIOIYPXSE-IIAWOOMASA-N 269.392 3.695 30 20 CHED CC(C)(CCC#N)CNC(=O)NC(C)(C)C1CCCCC1 1117488053 UOAKAVNXRLXGIH-UHFFFAOYSA-N 293.455 3.974 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1nsc2ccccc12 1126996426 BCOSSCMBYCYPIL-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C#CC[C@H](CC)c1nnc(N2CC=C(C)CC2)n1CC(=C)C 1122479537 MZKMYZGMZKJVLP-INIZCTEOSA-N 298.434 3.528 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2cc(F)ccc2C)cc1 777921143 TVJSVFXZVQBJLS-NTMALXAHSA-N 298.313 3.817 30 20 CHED COc1ccsc1C(C)=NOC1CCCCC1 777457574 WTOYUTNOLWNJIC-UHFFFAOYSA-N 253.367 3.830 30 20 CHED C[C@H](OC1CCCCCC1)C(=O)OCCC(C)(C)C#N 776397022 LGBHVRFHWQYAGH-ZDUSSCGKSA-N 281.396 3.597 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(Cl)cc1NC(C)=O 888827169 MXNCBKVPDOIMAM-UHFFFAOYSA-N 294.782 3.839 30 20 CHED C=C(C)Cn1c(N2CC(C)(C)C[C@H]2C)nnc1C(C)(F)F 1122429453 DWBUPEPIVHHDKK-LLVKDONJSA-N 298.381 3.591 30 20 CHED COc1ccc(NN=C(C)[C@@H](C)c2ccccc2)nc1 780269611 SXLKIYBSGVUOGZ-GFCCVEGCSA-N 269.348 3.682 30 20 CHED CCCCC[C@H](CC)C(=O)N1CCC[C@](C)(C#N)C1 784745577 KHFULQZAHDKWJQ-GOEBONIOSA-N 264.413 3.745 30 20 CHED C[C@@H]1CCCC(=NNc2cnc3ccccc3n2)[C@@H]1C 781121442 BCPFVKLCCMSSCH-VXGBXAGGSA-N 268.364 3.854 30 20 CHED C#CCCCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 788592180 LMTVVOPUMYEAGR-MRXNPFEDSA-N 286.375 3.710 30 20 CHED COc1cc(C)c(C(C)=NNc2nc(C)cc(C)n2)cc1C 783771754 MLNVEGHWFDKVKI-UHFFFAOYSA-N 298.390 3.555 30 20 CHED C=CCC1(O)CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 886778794 UOWKXYZXPDAROE-MRXNPFEDSA-N 291.822 3.730 30 20 CHED C#CCCCCC(=O)OCc1ccc(Cl)cc1F 781201530 HWGSVABHYAQERA-UHFFFAOYSA-N 268.715 3.716 30 20 CHED COc1ccc(C=NNc2ccc(Cl)c(OC)c2)cc1 788471984 MTMVFVFBMQIDRU-UHFFFAOYSA-N 290.750 3.803 30 20 CHED c1ccc(CCCNN=C2CCC3(CCCO3)CC2)cc1 788019705 DHTCWABKXSCENI-UHFFFAOYSA-N 286.419 3.688 30 20 CHED CCCCS[C@H](C)C(=O)OCc1ccc(F)cc1C#N 785741092 OLMISFPXAALWAV-LLVKDONJSA-N 295.379 3.662 30 20 CHED CSCc1cccc(C/N=C/c2ccccc2O)c1 782194888 XXONIKODGIHJMT-GZTJUZNOSA-N 271.385 3.874 30 20 CHED C[C@H](C=NNc1ccnc(F)c1)CCc1ccccc1 781127801 QIUSTERMDUROOT-ZDUSSCGKSA-N 271.339 3.887 30 20 CHED CC(C)[C@@H](F)C(=O)N1CCCSC1=Nc1ccccc1 784017873 SPTSZAVMQKXRJE-CYBMUJFWSA-N 294.395 3.634 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1cn(C)nc1C1CC1)C2=O 899367137 WKVUAPCLZPUUGS-PFSWGADMSA-N 292.382 3.989 30 20 CHED C=C1CCC(C(=O)N2CC3(CCC3)[C@H]2C2CC2)CC1 897798722 AKKYJWLLZMKRPO-OAHLLOKOSA-N 259.393 3.524 30 20 CHED CCCCC[C@](C)(CC)C(=O)OCC1(C#N)CC1 781438149 SOCJTXIIKJGZIZ-AWEZNQCLSA-N 251.370 3.830 30 20 CHED Cc1cc(Cl)ccc1C[S@](=O)CCC(C)(C)C#N 790140122 WOYKJZFSBACQGU-GOSISDBHSA-N 283.824 3.837 30 20 CHED N#CC[C@H](CC(=O)N1CCCCCCC1)c1ccccc1 792909503 WMTLCCCCUZFRNN-QGZVFWFLSA-N 284.403 3.867 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc(C(F)F)cc1 794944649 VESOXDGXOAOHHM-AUWJEWJLSA-N 296.276 3.989 30 20 CHED Cc1ccc(/C=C2\CCc3nn(C)cc3C2=O)cc1Cl 794959769 CXYMKQSQTPRCSD-KPKJPENVSA-N 286.762 3.594 30 20 CHED C=C1CC(c2noc(C3(c4cccc(OC)c4)CC3)n2)C1 896878230 YBZQLZILXPBMRQ-UHFFFAOYSA-N 282.343 3.592 30 20 CHED CC#CCCOC(=O)CC(C)(C)CC(=O)c1ccccc1 799568995 HOGUBDPDANHPKV-UHFFFAOYSA-N 286.371 3.632 30 20 CHED CCC(=NNc1nccn1C)c1ccc(Cl)c(Cl)c1 790300648 XEXQOTIBJRMKJR-UHFFFAOYSA-N 297.189 3.953 30 20 CHED COc1cc(/C=C2/CCCC(C)(C)C2=O)ccc1C#N 799497610 WSBATYPUOSXMKN-LCYFTJDESA-N 269.344 3.729 30 20 CHED C#Cc1ccc(CNc2cc(NC(C)=O)ccc2C)cc1 798185265 SGRIWDXLLFSQBV-UHFFFAOYSA-N 278.355 3.547 30 20 CHED CCCCCC(=NN(C)CCOC)c1ccccc1 794966691 BQUIZYRKIAOYEK-UHFFFAOYSA-N 262.397 3.549 30 20 CHED Cc1cccnc1NN=C1CCCOc2cc(F)ccc21 790184943 DLHSQRFEGDAFRI-UHFFFAOYSA-N 285.322 3.518 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C1CCC[C@H]1CCF 794900028 RXBLFQWESRAGHU-JTQLQIEISA-N 295.314 3.531 30 20 CHED C=C(Cl)CNC(=O)c1ccc(C)c2ccccc12 1147304961 URTYZJFPAYAMLQ-UHFFFAOYSA-N 259.736 3.631 30 20 CHED CC[C@H](C)COC(=O)C(C)(C)c1cc(F)cc(C#N)c1 797224666 ZNBNUKITPYRABT-NSHDSACASA-N 277.339 3.564 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@H]1[C@H]1CCCO1 790794892 BCZJSUOWQVFAGU-JKSUJKDBSA-N 296.455 3.700 30 20 CHED CC(C)CC(=NNc1nccn1C)c1ccc(Cl)cc1 790302048 LYSXDOXBTHUEFW-UHFFFAOYSA-N 290.798 3.936 30 20 CHED CCc1cccc(C)c1NN=Cc1cnn(C(C)C)c1 799495582 UJRDYGOTBWSMGU-UHFFFAOYSA-N 270.380 3.781 30 20 CHED C#C[C@H](CCC)NC(=O)c1cccc(-c2csc(C)n2)c1 791204760 HGZHLJIJWYKCNB-OAHLLOKOSA-N 298.411 3.650 30 20 CHED C#C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C)C(C)C 799042848 RNTMTXIABQHTHY-CQSZACIVSA-N 298.411 3.506 30 20 CHED C=CCN(CCCOCC(F)(F)F)Cc1ccccc1 53702411 MCRIEBMTKRUVTR-UHFFFAOYSA-N 287.325 3.644 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1OC 55568704 MBAOGGIITVETNN-UHFFFAOYSA-N 294.398 3.979 30 20 CHED CC[C@@H](C)Oc1cccc(NCc2ccc(C#N)o2)c1 135561442 GYVYUZQGJQULGO-GFCCVEGCSA-N 270.332 3.941 30 20 CHED CC(C)CC(C)(C)CNCc1cc(C#N)cs1 83476169 DDHICKMAVBXNDN-UHFFFAOYSA-N 250.411 3.782 30 20 CHED Cc1cc(OCc2ncoc2C(C)C)ccc1C#N 1320784500 RDGLTFNMSCCLEF-UHFFFAOYSA-N 256.305 3.557 30 20 CHED Cc1ccc(CNc2n[nH]c(C3CC3)c2C#N)cc1Cl 1178908649 CHGSQRHYTKANIB-UHFFFAOYSA-N 286.766 3.733 30 20 CHED Cc1nc(C(=O)Oc2ccc(C3CCC3)cc2)ccc1C#N 1320400356 YWXDRNSDZNCPOS-UHFFFAOYSA-N 292.338 3.748 30 20 CHED COc1ccc(C#N)cc1NCc1cccc(F)c1Cl 552805571 JCMYFLUJGBCRGE-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@@H](c1ccsc1)c1nnc(-c2cccc(C#N)c2)o1 1322343252 RAPKWOFCHRPLRU-JTQLQIEISA-N 281.340 3.822 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cn1cc(C)c2ccccc21 1326623589 KKLWNVWXJAZMTL-OAHLLOKOSA-N 282.387 3.517 30 20 CHED Cc1ccc(CCOC(=O)CC#Cc2ccccc2)cc1 1323875973 IJZKYXADVQBIDO-UHFFFAOYSA-N 278.351 3.523 30 20 CHED CC1(C)CCC(NCCc2ccc(C#N)cc2)CC1 1255298103 ZRWJWJKEKYFYJE-UHFFFAOYSA-N 256.393 3.659 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(OC)ccc1OC(F)F 1332853592 MEFFZFXOUVTQNB-JTQLQIEISA-N 299.317 3.837 30 20 CHED O=C1CCCN1N=CC1CCC(c2ccccc2)CC1 1339843970 KBQSXCIEYPNLLD-UHFFFAOYSA-N 270.376 3.569 30 20 CHED C=C(C)CCNCCC1CCN(C(=O)OC(C)(C)C)CC1 695276817 NRDLOVFWFJJNIF-UHFFFAOYSA-N 296.455 3.579 30 20 CHED CC(C)[C@H]1CCC[C@H]1Nc1cccc(OCC#N)c1 768519874 ZVBWZDZYDPLAOR-HZPDHXFCSA-N 258.365 3.826 30 20 CHED CN(C)c1cccc(-c2nnc(C3(C#N)CCCCC3)o2)c1 1331852331 IQTXABAZRPISBW-UHFFFAOYSA-N 296.374 3.528 30 20 CHED CC(C)[C@@H](C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1263377481 CAOKCMLRDACJBD-WMLDXEAASA-N 296.345 3.837 30 20 CHED CCCc1occc1C(=O)O[C@@H](CC#N)c1ccco1 1263660827 QOPVDUBTHPDGFH-AWEZNQCLSA-N 273.288 3.637 30 20 CHED Cc1cccnc1[C@@H](C)Nc1nc(C)c(C#N)cc1Cl 1262711562 ALLZSGJZVVMVET-LLVKDONJSA-N 286.766 3.792 30 20 CHED C[C@@H]1CCCC[C@@H]1c1nnc(COc2ccc(C#N)cc2)o1 1346638421 JAZHMEGZIMYXNA-DOMZBBRYSA-N 297.358 3.814 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OC(C)C)c(C)c2)CC1 1341237521 WZJRPHOUESTRLU-UHFFFAOYSA-N 288.391 3.966 30 20 CHED CC1(C)CCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1438609600 FZWDDYDTURATJN-SNVBAGLBSA-N 278.302 3.601 30 20 CHED Cc1nnc(Nc2cccc(C3CCC3)c2)c(C#N)c1C 1458404553 DWTSFGHRWOQTJK-UHFFFAOYSA-N 278.359 3.976 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2coc3ccccc23)c1 1525019156 SIWPSQCZEHKETO-UHFFFAOYSA-N 280.258 3.696 30 20 CHED CCc1ccc(F)cc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1528080337 HZOPHNGONQUMID-SMDDNHRTSA-N 275.323 3.627 30 20 CHED Cc1cc(C)c(C(=O)O)cc1NCc1ccc(F)c(C#N)c1 1600158869 QXHNUXWIUULOCJ-UHFFFAOYSA-N 298.317 3.625 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 1475823477 GUZNGYHKQDOETA-HUUCEWRRSA-N 285.391 3.896 30 20 CHED C[C@H]1CN(C(=O)Nc2sccc2C#N)c2ccccc21 1476829109 PSAGILMVORLJIB-JTQLQIEISA-N 283.356 3.775 30 20 CHED COc1cc(COc2ccc(C#N)cc2F)ccc1Cl 1473003625 MSCCJYIIDMWCON-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CCOC(=O)Nc1ccc(N[C@H](CC)C2CC2)cc1C#N 1621243292 FEMFOQDETKFMLF-CQSZACIVSA-N 287.363 3.727 30 20 CHED CCCN(Cc1ccc(C#N)cc1Br)C(C)C 1643607928 UJDKHWYUFXFQMD-UHFFFAOYSA-N 295.224 3.941 30 20 CHED N#Cc1ccc(SCc2cnc3ccccc3n2)cc1 1643650116 IKWRICLRNSYHFS-UHFFFAOYSA-N 277.352 3.794 30 20 CHED CSc1ccc(C(=O)Nc2nc(C)cc(C)c2C#N)cc1 1587096623 QFHAISAGYSPPIY-UHFFFAOYSA-N 297.383 3.544 30 20 CHED Cc1cc(NC[C@@H](C)Cc2cccs2)ncc1C#N 1650803594 LBZRHOTWBVPKLZ-NSHDSACASA-N 271.389 3.614 30 20 CHED C=CCC1(NCc2ccc(C(=O)O)cc2F)CCCC1 1588769053 KKYWRHVEVFXJPI-UHFFFAOYSA-N 277.339 3.502 30 20 CHED CN(CCCCC(C)(C)C#N)c1ccccc1C(=O)O 1598475777 KIZWURSCHQOPSA-UHFFFAOYSA-N 274.364 3.541 30 20 CHED N#Cc1cnc(N2CC[C@H]2c2ccc(F)cc2)c(Cl)c1 1642911463 LNZFMNRLNUJKPW-AWEZNQCLSA-N 287.725 3.697 30 20 CHED Cc1cc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cs1 1679527560 ZRYXVAHXNRKISX-NSHDSACASA-N 285.372 3.811 30 20 CHED C=C(C)CCCN1CC[C@@H](CC(=O)O)c2ccccc21 1776138846 ZKAGPMJIYPWTFG-AWEZNQCLSA-N 273.376 3.811 30 20 CHED COc1cc(OC[C@H]2CCC[C@@H](C)C2)ccc1C#N 1651953085 DHPLYKUUDSKOQM-OLZOCXBDSA-N 259.349 3.772 30 20 CHED CCCCCCCCC(=O)N(C)CC1CCOCC1 162922501 ZMBIHVKUNCUTDD-UHFFFAOYSA-N 269.429 3.622 30 20 CHED CN(CCC#N)c1ccc(CN2CCCCCCC2)cc1 158963223 RLLDWNXXYUQECL-UHFFFAOYSA-N 285.435 3.803 30 20 CHED CCSCC[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 164593508 DHYFDXBNITXGMJ-OLZOCXBDSA-N 262.422 3.741 30 20 CHED N#Cc1ccc(CNc2ccc(Cl)c(C#N)c2)s1 166959243 HXCGQMUDVLXAFD-UHFFFAOYSA-N 273.748 3.757 30 20 CHED CN(C(=O)[C@H]1CCCc2sccc21)c1ccc(C#N)cc1 168297875 ZZWMDLUFUXCJNX-HNNXBMFYSA-N 296.395 3.703 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc2ccccc2c1O 168845002 WKQHCPAWVUHCBF-AWEZNQCLSA-N 285.387 3.789 30 20 CHED CC(C)c1ccsc1C(=O)Nc1ccc(C#N)c(C#N)c1 152629513 LMFGEMUGWDHJMQ-UHFFFAOYSA-N 295.367 3.867 30 20 CHED Cc1ccccc1C(=O)N[C@@H](CCC#N)c1ccccc1 153285888 ZOWXFXZXAQXVJC-KRWDZBQOSA-N 278.355 3.770 30 20 CHED C#CCCCCNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 154889340 FHXDGKHAIIETJF-CQSZACIVSA-N 298.386 3.939 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)cc2F)n1 159768122 JCPXUMQQWYSPNG-GOSISDBHSA-N 295.361 3.738 30 20 CHED N#CCCN(Cc1ccco1)Cc1c(O)cccc1Cl 159597203 UOCYUKFWSLAABA-UHFFFAOYSA-N 290.750 3.554 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(Br)cc1 119341373 ZBEDAKKYDKOPBK-VHSXEESVSA-N 254.171 3.674 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(N)cc1Cl 232515993 PCMBTORWMYHLOJ-UHFFFAOYSA-N 294.782 3.799 30 20 CHED N#Cc1csc(CNc2ccc(C(F)(F)F)nc2)c1 160067182 OBXMNIJHBHQATH-UHFFFAOYSA-N 283.278 3.646 30 20 CHED Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1Cl 162008042 HKXBOMNGRBPOCE-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Cc1c(C(=O)N(C)[C@@H](C)CC#N)oc2ccc(Cl)cc12 264058478 LACZOFSMXRCSPD-VIFPVBQESA-N 290.750 3.769 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ccc(C#N)cc1[N+](=O)[O-] 48553298 DLQIGKDZKFYRGD-JTQLQIEISA-N 287.344 3.571 30 20 CHED COCc1ccccc1CNc1ccc(Cl)cc1C#N 52857316 YDQPZKHQDZYAAY-UHFFFAOYSA-N 286.762 3.970 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)c1ccnc(C#N)c1 62016675 VBAUKKIARRSYBH-LLVKDONJSA-N 271.751 3.804 30 20 CHED Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)c(Cl)c1 191227653 IFIMLMOFVJKEMA-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C=CCOCCCN[C@H](CC(F)(F)F)c1ccccc1 348028242 CQVLKBSBAUFJRF-CQSZACIVSA-N 287.325 3.862 30 20 CHED Cc1ccoc1CN(C)c1cc(Cl)ccc1C#N 310914629 DVYISQJWXBKLGP-UHFFFAOYSA-N 260.724 3.750 30 20 CHED C=CCC[C@H](CO)N[C@@H](CC)c1ccc(Cl)cc1 321029651 QAIJVPVJVGMFOJ-CABCVRRESA-N 267.800 3.708 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 361865212 LLGVDRMRRMQHHW-QGZVFWFLSA-N 268.335 3.938 30 20 CHED C=CCCSCCN[C@@H](C)c1cccc(F)c1 594709880 GPHQVCFHMCQQJZ-LBPRGKRZSA-N 253.386 3.786 30 20 CHED CCCc1cc(C(=O)N2CCC[C@@H](CC#N)C2)sc1C 597916305 LUOKYODORKKELZ-ZDUSSCGKSA-N 290.432 3.775 30 20 CHED CC(C)[C@H]1CCCCN1Cc1cc(F)ccc1C#N 395773089 IGEFHZFHEUTNAB-MRXNPFEDSA-N 260.356 3.708 30 20 CHED Cc1nc(N2CCC[C@@H]2CC(C)C)c(Cl)cc1C#N 396984758 XZAJTKMLDJQVMJ-CYBMUJFWSA-N 277.799 3.930 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc(F)c(F)c1 54802425 YFLCLERNKFAMER-KTAJNNJTSA-N 286.277 3.796 30 20 CHED CC(C)c1nnc(S[C@H](C)c2ccc(C#N)cc2)n1C 118176559 UDDCPRNZHKZUQV-LLVKDONJSA-N 286.404 3.663 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnn(C)c1C 119650140 KZEDIRBIVGHFHD-UHFFFAOYSA-N 279.428 3.551 30 20 CHED CCC[C@@H](CC)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 171321708 OVAMOSAJBSQKQZ-MRXNPFEDSA-N 299.418 3.811 30 20 CHED C=C(Br)CNC(=O)[C@H](C)CCCCCC 173272786 QIGPKAHYTANTKZ-SNVBAGLBSA-N 276.218 3.618 30 20 CHED C=CC[C@@H](C)NC(=O)N(CC)Cc1ccccc1Cl 116971763 RGLJAJZGVBHBJZ-GFCCVEGCSA-N 280.799 3.836 30 20 CHED C#CCOc1cccc(NC(=O)N[C@H](C)c2ccccc2)c1 108517735 LRIAUJNLJCGENJ-CQSZACIVSA-N 294.354 3.581 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 113690016 FBZJIYNTHXHNTB-NSHDSACASA-N 282.343 3.506 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC2(CCCCC2)CC1 102302261 VLVJEYQREGBVCL-HNNXBMFYSA-N 279.424 3.541 30 20 CHED Cc1cc(CN(CCC#N)Cc2ccco2)c(C)s1 176289374 IGWNQZQHFXJISL-UHFFFAOYSA-N 274.389 3.874 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc(F)c(F)c1F 175873671 BMMDKJNOLKXXPS-UHFFFAOYSA-N 298.308 3.506 30 20 CHED Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)s1 172024810 KHAZAVSZFDXXLM-LBPRGKRZSA-N 290.775 3.705 30 20 CHED N#Cc1ccsc1C(=O)N1CCC[C@@H]1c1cccs1 52028890 JOONQIMXNOEQLC-LLVKDONJSA-N 288.397 3.659 30 20 CHED C[C@H]1C[C@H](CC(=O)NCCCCC#N)CC(C)(C)C1 171499285 DRHQFDODIOGQBO-UONOGXRCSA-N 264.413 3.649 30 20 CHED N#Cc1ccc(F)c(CNC(=O)C2CCCCCCC2)c1 174425518 BCXAOSUOBYBHQW-UHFFFAOYSA-N 288.366 3.674 30 20 CHED CC(C)[C@H](C)N(C(=O)Nc1cccc(C#N)c1)C1CC1 178364041 AHCSLLFNFWSUIP-LBPRGKRZSA-N 271.364 3.599 30 20 CHED CCOc1ccc2c(c1)CN(c1ccc(F)cc1C#N)CC2 301421055 SDAZPNWGCDGJFD-UHFFFAOYSA-N 296.345 3.659 30 20 CHED C#CCCCOC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 67627711 QESLIJYWGNWVCF-UHFFFAOYSA-N 296.288 3.694 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2)[C@H](c2ccccc2)CO1 174460929 OREARRJUEUIZKP-KXBFYZLASA-N 292.382 3.520 30 20 CHED Cc1cccc(F)c1NC(=O)CCc1ccc(C#N)cc1 179871161 KWGNTBKXSOJIAH-UHFFFAOYSA-N 282.318 3.577 30 20 CHED C[C@@H](OC(=O)c1cc(F)ccc1F)c1ccc(C#N)cc1 175768841 VVGZPIABZXZTCZ-SNVBAGLBSA-N 287.265 3.754 30 20 CHED Cc1cccc(Oc2ccc(Cl)c(C#N)n2)c1[N+](=O)[O-] 301826344 JDTQHRZMCICZQA-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CCN(CC#N)Cc1csc(C2CCCCC2)n1 121034073 HWBMVPHTISVJGC-UHFFFAOYSA-N 263.410 3.536 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1Cl 122957792 FIRHCBCKACDWLO-HNNXBMFYSA-N 299.761 3.517 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccnc1 66802104 BOOGBLKTCZXARV-LBPRGKRZSA-N 297.383 3.728 30 20 CHED C=CCN(Cc1ccnc(Cl)c1)Cc1cccs1 63517541 OXENXPWZVHKIFF-UHFFFAOYSA-N 278.808 3.985 30 20 CHED Cc1ccc(CNc2ccc(CC#N)cc2)cc1[N+](=O)[O-] 37301847 LHIQNEZMALRCGJ-UHFFFAOYSA-N 281.315 3.581 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(CCO)cc1)c1ccccc1 124569610 JEBBGCIJRFBLMD-INIZCTEOSA-N 295.382 3.520 30 20 CHED Cn1nc(C2CCCCC2)cc1NCc1cccc(C#N)c1 125465048 DOSOYGNWZJMCOF-UHFFFAOYSA-N 294.402 3.952 30 20 CHED N#Cc1ccc(NCc2cc(-c3ccccc3)no2)cc1 73626886 DFMVAESXEOVFHF-UHFFFAOYSA-N 275.311 3.825 30 20 CHED N#Cc1ccc(CN2CCCC23CCCCC3)cc1F 484083501 OBUZELIOTFZJPH-UHFFFAOYSA-N 272.367 3.996 30 20 CHED COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 36991901 IUJIAHWLPOAMPE-UONOGXRCSA-N 280.371 3.979 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CC1CCCC1 75299361 IBVLWHLAQKOINM-ZWKOTPCHSA-N 296.414 3.865 30 20 CHED C=CCN(C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 121605385 CLJDVNNOVFRDIC-HNNXBMFYSA-N 294.398 3.798 30 20 CHED CCOC1CC(CC/N=C/c2cc3ccccc3nc2O)C1 189648654 YMEUCLVORSZZTQ-XDHOZWIPSA-N 298.386 3.565 30 20 CHED CCCCCS[C@H]1CCN(c2ccc(C#N)cc2)C1=O 180728626 DTUYKBZWXCHGQC-HNNXBMFYSA-N 288.416 3.587 30 20 CHED Cc1cccc2c1CC[C@H]2NCc1ccc(C#N)s1 335080561 FXOSXILBGXETDA-MRXNPFEDSA-N 268.385 3.705 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(-c3cnco3)cc2)C1 185718215 VLRXPNSGTWHIFW-IUODEOHRSA-N 267.332 3.836 30 20 CHED C=C[C@@H](C)N[C@H](C)c1ccc(Br)s1 157230296 FLTDQJRPWFPZEK-HTQZYQBOSA-N 260.200 3.736 30 20 CHED CC[C@H](C#N)SCc1cccc(OC(F)F)c1 127797449 AKKOPYBNIHWFMO-LLVKDONJSA-N 257.305 3.823 30 20 CHED Cc1ccsc1C(=O)Nc1ccccc1O[C@H](C)C#N 182060793 KEJFDYABRDRYJL-LLVKDONJSA-N 286.356 3.600 30 20 CHED Cc1noc(C)c1[C@@H](C)CNc1cccc(F)c1C#N 129423446 HXBQYYHLACAMGK-VIFPVBQESA-N 273.311 3.518 30 20 CHED N#CC1(C(=O)Nc2cncc(Cl)c2Cl)CCCCC1 180135347 HKFAHDHGNCORLI-UHFFFAOYSA-N 298.173 3.801 30 20 CHED CCCCCOCC(=O)Nc1ccc(Cl)cc1CC#N 410963583 GDTNLBFPURXMKA-UHFFFAOYSA-N 294.782 3.551 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC1(C)C 128382933 GJWCVSNKGTVUHA-NEPJUHHUSA-N 288.416 3.923 30 20 CHED C=C(C)CN(C)C(=O)NCc1cccc(OCCCC)c1 180560563 VCRYEVIWGYLXSY-UHFFFAOYSA-N 290.407 3.583 30 20 CHED N#Cc1cc2c(nc1NCCOC1CCCCC1)CCCC2 315784605 HRJLMPVQNZAOST-UHFFFAOYSA-N 299.418 3.593 30 20 CHED N#CCCC[C@H](NC(=O)NC[C@H]1CC12CC2)c1ccccc1 416743723 WESPWPFYDJPUJY-CVEARBPZSA-N 297.402 3.521 30 20 CHED C[C@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419652818 VSUIVFPQEWRRSJ-IIYDPXPESA-N 297.402 3.518 30 20 CHED C#CCN(Cc1ncccc1Cl)C1CCCCC1 859092733 FBTQOCGMOMDCGG-UHFFFAOYSA-N 262.784 3.503 30 20 CHED CN(CCCSCC#N)CCc1cccc2ccccc12 74989889 PGXVJFLBDHCMRT-UHFFFAOYSA-N 298.455 3.961 30 20 CHED C=C(C)[C@@H](NC(=O)NCC(C)C)c1ccc(F)c(F)c1 186956316 NYAAOJUCGGNEGT-CQSZACIVSA-N 282.334 3.537 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2cc3ccccc3o2)C1 185838311 DFYCRZSJITUIHE-DZGCQCFKSA-N 268.360 3.647 30 20 CHED N#CC1(COc2cccc(-c3nccs3)c2)CCC1 419000232 XTXIIYGLMXAGGA-UHFFFAOYSA-N 270.357 3.883 30 20 CHED Cc1ccc(C#N)c(Oc2ccc3ncccc3c2)n1 341924592 CIYMPFAMHKLEQW-UHFFFAOYSA-N 261.284 3.602 30 20 CHED N#CC1(CCN2CCC(OCC3CC3)CC2)CCCCC1 411305317 XMQJKAJCSIGMJW-UHFFFAOYSA-N 290.451 3.742 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cnn(CC(C)C)c1 180737286 IUEFTBNNPGQUOR-SNAWJCMRSA-N 274.389 3.805 30 20 CHED CCc1ccc(CN(CCC#N)CC(C)C)s1 43419651 ZKVRLOAOQLMJNU-UHFFFAOYSA-N 250.411 3.682 30 20 CHED CN(CCCCC(C)(C)C#N)C(C)(C)CN1CCCC1 419379497 WPXUCPGAXYUJSU-UHFFFAOYSA-N 279.472 3.513 30 20 CHED C=C(Cl)CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 134807266 QCRAPPIEHOCUPG-VIFPVBQESA-N 290.215 3.689 30 20 CHED CSc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1Cl 86302501 YYWLYSTUAHWUKF-SECBINFHSA-N 297.811 3.828 30 20 CHED Cc1nnc(N=C(O)C[C@@H]2CCC[C@@H](C)C2)n1C1CC1 329084959 TYTHSQKBBDWHHC-ZYHUDNBSSA-N 276.384 3.726 30 20 CHED C=CCC[C@@H](CC)NC[C@@](C)(O)c1ccc(F)cc1F 89727065 GUQLFOBHEIZBLW-CZUORRHYSA-N 283.362 3.507 30 20 CHED COc1nnccc1N=C(O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 329580390 LAZGOSRXIXAESW-NEPJUHHUSA-N 291.395 3.926 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCC(C)(C)O1 425536136 OJXCBDBOSYCDCB-BBRMVZONSA-N 272.392 3.509 30 20 CHED CC1(C)CCC[C@H](/N=C(/O)c2cnc3cnccc3c2)C1 328848392 VYOIHVWXVLCPRI-AWEZNQCLSA-N 283.375 3.903 30 20 CHED C[C@H](NCc1ncc(Cl)s1)c1ccc(C#N)cc1 225307582 NIMPAMKKICFTQC-VIFPVBQESA-N 277.780 3.519 30 20 CHED OC(=Nc1csc(-c2ccccn2)n1)C1[C@@H]2CCC[C@@H]12 329581957 XFNDIAGCJPHONS-NXEZZACHSA-N 285.372 3.839 30 20 CHED N#CCC[C@H](NCc1cccc(C#N)c1)c1ccccc1 130393045 JNOIMYMHAQZJLL-SFHVURJKSA-N 275.355 3.693 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc(N3CCCCC3=O)c2)C1 193083593 SXCOXKVNTAZBQC-GJZGRUSLSA-N 297.402 3.698 30 20 CHED Cc1ccnc(NCc2ccccc2C(F)(F)F)c1C#N 135076053 PZEQMTTVJAKMJG-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C[C@@H]1CCC[C@@H](C/N=C(/O)c2snnc2C2CC2)C1 329437349 AEPRJPJXILMIQK-NXEZZACHSA-N 279.409 3.546 30 20 CHED CC(C)(C#N)CCOc1cccc(Cl)c1[N+](=O)[O-] 292653454 MUDXNZMIPOSQGV-UHFFFAOYSA-N 268.700 3.567 30 20 CHED C#CCCCC(=O)Nc1cccc(OCCCC)c1 192086783 DRLAEUBOKIFOEX-UHFFFAOYSA-N 259.349 3.608 30 20 CHED C[C@H](CC#N)NC(=O)CC(c1ccccc1)c1ccccc1 194720526 XENPOCGFRDEXKJ-OAHLLOKOSA-N 292.382 3.627 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc3oc(C4CC4)nc3c2)C1 335231186 PEGMTCLOPCTNKO-ZYHUDNBSSA-N 267.332 3.809 30 20 CHED COC1(C/N=C(/O)c2ccc(C(C)C)nc2)CCCCC1 331080525 NXHWXJNGYXPWNL-UHFFFAOYSA-N 290.407 3.859 30 20 CHED CC(C)(C#N)CNC(=O)N1CCC[C@H]1CCC1CCCC1 512931286 HTIVJPMTBXKCCT-HNNXBMFYSA-N 291.439 3.681 30 20 CHED CC(C)c1ncsc1/C(O)=N/CC[C@@H]1CCCCO1 331345944 VTBPTKGMFNZYRY-NSHDSACASA-N 282.409 3.530 30 20 CHED COc1ccccc1C[C@H](NCC1(CC#N)CC1)C(C)C 430722728 GRODDCUZUPNTLR-INIZCTEOSA-N 286.419 3.546 30 20 CHED N#Cc1cnc(N2CCC[C@@H](c3ccccc3)C2)c(Cl)c1 431477173 KVVSSACCFWXXFU-OAHLLOKOSA-N 297.789 3.991 30 20 CHED N#CC1(C(=O)NC[C@H]2CCCCC(F)(F)C2)CCCCC1 332317632 NWXGDEXCSCVCGE-ZDUSSCGKSA-N 298.377 3.792 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccn(-c3ccccc3)n2)o1 90988560 KNYMRZSLQRWDAN-CSKARUKUSA-N 292.338 3.924 30 20 CHED C=CCSCCNc1ccc(C#N)cc1Br 230343681 QEWUCXOVKJFSBF-UHFFFAOYSA-N 297.221 3.652 30 20 CHED C[C@H]1CC[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 331074031 KNXMPJFGMOCWQR-KBPBESRZSA-N 284.403 3.654 30 20 CHED C=CCOc1ccc(CN(CCC)CC2CC2)cc1OC 435234622 IROWYZSBYHPSIC-UHFFFAOYSA-N 289.419 3.882 30 20 CHED C=CC1CCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1 522046281 DCLANQQKFDSEBZ-UHFFFAOYSA-N 291.394 3.977 30 20 CHED C[C@H](CCC#N)CNC1(c2ccc(F)cc2)CCC1 602528957 RPBQZURLTXDDFR-CYBMUJFWSA-N 260.356 3.734 30 20 CHED C=CCCOCCCCC(=O)Nc1cc(F)ccc1F 342911044 JZAICVZHJAQSBM-UHFFFAOYSA-N 283.318 3.666 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cccc(Cl)c1 435671371 JHXUTBHBIJOIMK-INWMFGNUSA-N 279.811 3.972 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc(Oc2cccnc2)cc1 343951474 YSKSZHGNTBAQIK-CQSZACIVSA-N 293.370 3.828 30 20 CHED Cc1ccc2[nH]c(C(=O)N(CCC#N)CC(C)(C)C)cc2c1 609191536 VNRAUCRXMRQWJV-UHFFFAOYSA-N 297.402 3.878 30 20 CHED C=CCC(C)(C)c1noc(-c2sc(C)nc2C)n1 340783146 VYJRPEFJNWCLRY-UHFFFAOYSA-N 263.366 3.664 30 20 CHED C=CCSCc1ccc(OC(F)F)c(OC)c1 349087905 JEKKVFXHFYNBSZ-UHFFFAOYSA-N 260.305 3.716 30 20 CHED C[C@@H](CCC#N)CN1CC[C@@H](C)N(Cc2ccccc2)CC1 602482656 PFGMXPQNLRAHLG-ZWKOTPCHSA-N 299.462 3.523 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)/C=C\c1ccccc1C#N 255296239 WTXLCABETHLNCL-QXPKXGMISA-N 282.387 3.609 30 20 CHED C=CCCCCNC(=O)NCc1ccc2[nH]c(C)cc2c1 345800291 LDFNTLIITVNFNL-UHFFFAOYSA-N 285.391 3.632 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1ccco1 255306411 UCGBCUFXTCQHLK-SREVYHEPSA-N 264.227 3.777 30 20 CHED C[C@H](CN(C)c1nc2c(cc1C#N)CCC2)c1ccccc1 608973825 JBJICTQIMOPXPG-CQSZACIVSA-N 291.398 3.682 30 20 CHED N#CC1(N(C(=O)C(C2CCC2)C2CCC2)C2CC2)CCC1 344050402 OWFYLPYHXKQNOA-UHFFFAOYSA-N 286.419 3.640 30 20 CHED CC[C@@H](C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 603529846 NAAGZQPZLCZNET-CYBMUJFWSA-N 258.365 3.593 30 20 CHED C=CCn1cccc1-c1nc(-c2cccc(COC)c2)no1 346075151 PBDMERGPYVQWGR-UHFFFAOYSA-N 295.342 3.538 30 20 CHED CC(C)CCC(=O)COc1cc(Cl)cc(C#N)c1 352197629 BDIQZIJWYJUMDR-UHFFFAOYSA-N 265.740 3.596 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2cncs2)cc1 255360377 FHLGTHUNVZQWKL-FPLPWBNLSA-N 273.357 3.828 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1cccnc1 255470829 LPEKYUXNMQNGHY-SREVYHEPSA-N 275.254 3.579 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(F)cc2OC(F)F)C1 442849533 BSEVLQAPPCAHSD-WCBMZHEXSA-N 270.254 3.531 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(OC(C)(C)C)cc1 602532537 VMANAGULBKZSOM-AWEZNQCLSA-N 274.408 3.893 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1cccc(Cl)c1 539433949 OZEODECAIBNROB-LBPRGKRZSA-N 281.783 3.580 30 20 CHED C=CCC[C@@H](NCCc1cscn1)c1ccccc1 358041553 DHDIWASKCOXPQS-MRXNPFEDSA-N 272.417 3.983 30 20 CHED N#Cc1ccncc1N[C@@H]1CC[C@@H](Cc2ccccc2)C1 445677096 VOUQJELQKHPLCQ-DOTOQJQBSA-N 277.371 3.777 30 20 CHED CN(CCCC(C)(C)C#N)CCOc1ccccc1Cl 266904401 JFSNHVLHQLLMJW-UHFFFAOYSA-N 294.826 3.981 30 20 CHED N#CC1(C(=O)N2CCCc3c(F)cccc32)CCCCC1 531372050 YRAGDZRFKQQFHU-UHFFFAOYSA-N 286.350 3.579 30 20 CHED CCc1cc(C#N)ccc1OCc1cccc(C#N)c1 442095177 JSACFNPIFXEQBH-UHFFFAOYSA-N 262.312 3.571 30 20 CHED CC[C@H](O)CCCNc1ccc(C#N)cc1C(F)(F)F 357506279 CBLOTITXPZPTHV-NSHDSACASA-N 286.297 3.540 30 20 CHED C=CCCCCCN(C)C(=O)c1ccsc1C 449917990 WYGNFUXDUXKCDZ-UHFFFAOYSA-N 251.395 3.875 30 20 CHED N#Cc1cccnc1Oc1cccc(Oc2ccccn2)c1 530662697 IGYPUBMCEZBQGR-UHFFFAOYSA-N 289.294 3.933 30 20 CHED N#Cc1cccc(CNC(=O)Nc2ccc(C3CC3)cc2)c1 611330692 RFGIGDDXHMXAQF-UHFFFAOYSA-N 291.354 3.757 30 20 CHED C=C[C@H](SCc1ccccc1C1CC1)C(=O)OC 619689297 AZHRTVPGZKVAEX-AWEZNQCLSA-N 262.374 3.525 30 20 CHED C[C@@H](CCC(=O)Nc1cc(CC#N)ccn1)c1ccccc1 533077413 TZMUKFPPWIYJIC-AWEZNQCLSA-N 293.370 3.670 30 20 CHED C=C[C@@H](C)NC1CCC(N(C)Cc2ccccc2)CC1 353408151 YWWOUPCADSWUAJ-FAEJEUNOSA-N 272.436 3.594 30 20 CHED CC(C)[C@H](C(=O)N(C)C[C@H](C)C#N)c1cccc(Cl)c1 267181021 HMIFRIIBQLTJIV-DOMZBBRYSA-N 292.810 3.698 30 20 CHED CCN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)C(C)C 263994562 AXUVVVJPIILNDD-NSHDSACASA-N 277.343 3.596 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@H](C)c1ccc(F)cc1F 611030141 PABRLJRXMXEKOI-WCQYABFASA-N 294.345 3.513 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1NCC1CCCC1 352325828 XTUDXKHQRYGLJT-UHFFFAOYSA-N 287.313 3.987 30 20 CHED COc1c(CN[C@H]2CCC[C@H](C#N)C2)oc2ccccc12 618577818 UYVBCMVMWPPKPI-STQMWFEESA-N 284.359 3.613 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(CS(C)(=O)=O)cc1 449039042 APIIADBUROTLCC-AWEZNQCLSA-N 295.448 3.778 30 20 CHED C[C@@H](CN=c1c(C#N)c[nH]c2ccc(Cl)cc12)C1CC1 610274416 GPFRVJPBKMSORM-JTQLQIEISA-N 285.778 3.640 30 20 CHED C=C(CC)CN[C@H](C)c1ncc(Br)s1 453372049 RYPYQVKDZCAHCZ-MRVPVSSYSA-N 275.215 3.522 30 20 CHED Cc1oc2ccccc2c1CC(=O)Nc1sccc1C#N 362229038 BABOLSWEADGHCX-UHFFFAOYSA-N 296.351 3.856 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCC(=O)c3ccccc32)CCCC1 619111042 UCMWJAYSOITFKU-MRXNPFEDSA-N 297.398 3.752 30 20 CHED C=CCC1(NC(=O)c2cc(C(C)C)oc2C)CCOCC1 618250436 ARLWLHFFKCXRLL-UHFFFAOYSA-N 291.391 3.567 30 20 CHED C=CC[C@H](C(=O)NCc1cnc(C)cc1C)c1ccccc1 456846927 UEYPOUXQSASOBU-SFHVURJKSA-N 294.398 3.675 30 20 CHED CC[C@@H](NC[C@@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1 453436679 UTJJPICBTQNFHX-NVXWUHKLSA-N 286.419 3.804 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(-c2ncco2)ccc1C 455020919 ISBWKUCLGCCSPS-UHFFFAOYSA-N 299.374 3.984 30 20 CHED CC(C)(C#N)CC(=O)N(Cc1ccccc1)C(C)(C)C 278876021 ZVXYJLZKZHFAQG-UHFFFAOYSA-N 272.392 3.754 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCc3ccccc3C2)C1 617777151 IZQAIYLSLWXBFN-MAUKXSAKSA-N 283.415 3.606 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 452541594 MAVPQPVOSHVVMQ-HUUCEWRRSA-N 284.403 3.913 30 20 CHED C=C[C@@H](C)NC(=O)C(C)(C)c1cccc2ccccc12 450098999 XSEHTDFHTJUXPK-CYBMUJFWSA-N 267.372 3.808 30 20 CHED CC(C)c1c[nH]nc1NC(=O)c1ccc(C(C)(C)C#N)cc1 456721982 BJZBKXZYYNOXAF-UHFFFAOYSA-N 296.374 3.587 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)NCC(C)(C)CCC#N 454959928 NFKJMRBGDQUGBG-CQSZACIVSA-N 279.428 3.750 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 450696966 UIEVKLAIRCAWRL-UONOGXRCSA-N 277.795 3.916 30 20 CHED Cc1c(Cl)cnc(N[C@H]2CC(C)(C)OC2(C)C)c1C#N 544147631 UNHIZBKIKLNPRL-LBPRGKRZSA-N 293.798 3.673 30 20 CHED C[C@H](NC(=O)c1cc(C#N)cs1)[C@H]1CCC[C@@H](C)C1 456985120 BUDXLAVHGFQHHR-MDZLAQPJSA-N 276.405 3.564 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)Cc1ccc(C)cc1 545243489 GCIZSMBQRGGECA-MRXNPFEDSA-N 274.408 3.881 30 20 CHED COc1ccsc1CN(Cc1ccc(C#N)cc1)C1CC1 271046191 LZSIESADQILVKT-UHFFFAOYSA-N 298.411 3.793 30 20 CHED C=CCC[C@H](O)CN[C@@H](CC)c1ccc(Cl)s1 541627570 QFASUXZNOMMHQB-QWRGUYRKSA-N 273.829 3.769 30 20 CHED COc1cc(N[C@@H]2CCC[C@@H](C#N)C2)cc(OC)c1Cl 459760055 QAEFJCZKIDXCIQ-GHMZBOCLSA-N 294.782 3.851 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CC[C@H](C)C2)c1 455948803 CEFPCEWROGRUKB-XHDPSFHLSA-N 271.364 3.519 30 20 CHED C=CC[C@@H](C)NC(=O)C(C)(C)Cc1ccc(Cl)cc1 457560824 BQJOBDUQTAGKCN-GFCCVEGCSA-N 279.811 3.990 30 20 CHED C=CCN(C(=O)Cc1c[nH]c2cccc(C)c12)C(C)(C)C 622944214 JQSOEPLITGZGRN-UHFFFAOYSA-N 284.403 3.832 30 20 CHED C=CCCN(C)C(=O)Nc1cnn(CCC(C)C)c1CC 277262700 OTVAMJHBCANCJG-UHFFFAOYSA-N 292.427 3.531 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1OC)c1ccccc1 271619337 CUXIYEQTSQTMFA-QGZVFWFLSA-N 280.371 3.808 30 20 CHED CCCCN(CC)c1ncc(Cl)c(C)c1C#N 541354761 KLWGFJIVYSPTJT-UHFFFAOYSA-N 251.761 3.542 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 540467752 VOZPLZKHYVLAID-JRPNMDOOSA-N 290.794 3.766 30 20 CHED CC(C)c1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)s1 464169250 OBRSJLFOJMOTPS-HNNXBMFYSA-N 278.421 3.930 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OC(C)C)cc1 466386142 NKVUMBFRRZRXCK-ZDUSSCGKSA-N 276.380 3.950 30 20 CHED C[C@@]1(c2ccccc2)CCCN(C[C@@H](C#N)CCC#N)CC1 285432193 RENOXOAPVBLPPR-IEBWSBKVSA-N 295.430 3.874 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 460555226 KMBIDXADKDAKBR-KGLIPLIRSA-N 276.428 3.602 30 20 CHED C=CC[C@H](CC)NC(=O)c1scnc1C1CCCC1 281185109 ZBGAZASROXLSTB-LBPRGKRZSA-N 278.421 3.885 30 20 CHED C=CC[C@@H](CC)NC(=O)NC(C)(C)c1ccc(F)c(F)c1 466406438 WWUCQBZGTBYGMC-GFCCVEGCSA-N 296.361 3.854 30 20 CHED CC1CCC(CC(=O)N[C@@](C)(C#N)C(C)(C)C)CC1 464154646 VYCXOLAQKZYZPE-ZUEPYMLJSA-N 264.413 3.647 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 281124651 GVZGRCLXDKTMCP-DZGCQCFKSA-N 288.366 3.518 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCCC[C@H](C)C1 460957522 KSXODHLNDAWUMM-GJZGRUSLSA-N 290.455 3.994 30 20 CHED CC(C)C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 466721167 CXGDFUFBOOLTPI-HNNXBMFYSA-N 281.403 3.679 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1N1CCCC1 281407722 QAKWKQWEQWTVOY-AWEZNQCLSA-N 287.407 3.763 30 20 CHED C[C@H](Cc1cccc(Cl)c1)NCCCCC#N 282595660 HGQCYXJPHNGAOV-GFCCVEGCSA-N 250.773 3.554 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1C=CCCC1 472060292 RVZXHNGXPBJRMU-QGZVFWFLSA-N 284.403 3.883 30 20 CHED C=CCOCCCNC1(c2ccc(F)cc2F)CCC1 470770573 CTWIHCHTGKWAFA-UHFFFAOYSA-N 281.346 3.526 30 20 CHED C=CCOc1ccc(CNC(=O)C(CC=C)CC=C)cc1 557062223 KXUGBLRAWYFGLL-UHFFFAOYSA-N 285.387 3.636 30 20 CHED C[C@H](NN=Cc1c[nH]c(C(F)(F)F)c1)c1ccccc1 807966629 PAHWCKOIWLSSSZ-JTQLQIEISA-N 281.281 3.718 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc2c1OCO2 557413545 SPICSDXDQDYAGN-CYBMUJFWSA-N 261.365 3.640 30 20 CHED C=CCC[C@H](O)CN(CC)[C@@H](CC)c1ccccc1 472778071 MHKUYFUNFDJSSY-IRXDYDNUSA-N 261.409 3.787 30 20 CHED Cc1cc(OC(=O)CCCC#N)cc(C)c1Br 291703945 KQIPGTOEMYWPSX-UHFFFAOYSA-N 296.164 3.665 30 20 CHED Clc1ccc(C#CCN2CCC[C@H]2c2cccnc2)cc1 553889767 BRKHMRIGNUCRHC-SFHVURJKSA-N 296.801 3.924 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2ncccc2C(F)(F)F)C1 800809985 DCGGJNISYSOBQF-NXEZZACHSA-N 271.286 3.934 30 20 CHED N#Cc1ccc(CN(CC2CCC2)CC2CC2)c(F)c1 475680616 WYHJQBYRBPDENU-UHFFFAOYSA-N 272.367 3.709 30 20 CHED C=CCCCCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 471674682 VLCSWIWLPHIOHG-UHFFFAOYSA-N 289.423 3.602 30 20 CHED C=C(Cl)COC(=O)c1ccc(-c2ccccc2)nc1C 806281860 AOLFLQCGDMEUPU-UHFFFAOYSA-N 287.746 3.966 30 20 CHED CC#CC(=O)Nc1ccccc1SCc1ccccc1 801112275 HPMDZFREOLFQIU-UHFFFAOYSA-N 281.380 3.941 30 20 CHED Cn1cnc(/C=C2\CCc3c(sc4ccccc34)C2=O)c1 800794356 CYMLDVJJWAJYQK-DHZHZOJOSA-N 294.379 3.847 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 474407191 DNVKBHVEIVGWDO-HIFRSBDPSA-N 256.349 3.713 30 20 CHED C=CCC[C@@H](O)CN(Cc1cccc(Cl)c1)C(C)C 472751115 NSYZSBJIBBUWPS-MRXNPFEDSA-N 281.827 3.878 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C(C)=C/C(C)(C)C)cc1 809258978 LHWBYVKDEUWKIK-SICOMBFOSA-N 284.403 3.922 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2ccc(C)c(Cl)c2)no1 296299611 DOJZMFHTAMCWDY-AWEZNQCLSA-N 275.739 3.890 30 20 CHED C=CCC[C@H](O)CN[C@@H](Cc1ccccc1)c1ccccc1 472777561 YXEWPKDSHUZGAA-PMACEKPBSA-N 295.426 3.887 30 20 CHED C=CCn1c(C)nnc1N1CCCC[C@@H]1c1ccccc1 290144004 HOUYREKXBGTEEG-MRXNPFEDSA-N 282.391 3.504 30 20 CHED C#Cc1ccc(CNc2cnn([C@@H](C)CC)c2C)cc1 809653311 XYTRIIXPLRGGOP-ZDUSSCGKSA-N 267.376 3.756 30 20 CHED CC(C)(C)C[C@@H](NC(=O)NCC1(C#N)CC1)c1ccccc1 563700226 KVBAMABFYHIPOE-OAHLLOKOSA-N 299.418 3.767 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N([C@@H]3CC[C@H](C#N)C3)C2)cc1 293951016 BTDDDMRJEDGFDQ-CWLKWCNXSA-N 268.404 3.865 30 20 CHED CC[C@H](Nc1nc(C)c(C#N)cc1Cl)c1ccncc1 292617972 NJHKOSJECZGYMA-AWEZNQCLSA-N 286.766 3.873 30 20 CHED Cc1ccc([C@@H]2CCN([C@H]3CC[C@H](C#N)C3)C2)c(C)c1 294221614 SKQINADZHHAXSG-BBWFWOEESA-N 268.404 3.785 30 20 CHED COCc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1 806576495 CPACNTJPQAHNGJ-MDWZMJQESA-N 299.757 3.704 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(F)cc1OCC 298546092 KNHUSYXXOQKIDU-UHFFFAOYSA-N 265.328 3.765 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1[nH]c2c(Cl)cccc2c1C 562724144 NUQSJLZKRGRHQF-HNNXBMFYSA-N 289.766 3.552 30 20 CHED C[C@H]1CCCC[C@@H]1OCCN1CCC(CCC#N)CC1 563069160 UMGSQZKYBLOODS-RDJZCZTQSA-N 278.440 3.597 30 20 CHED C=CC(C)(C)C(=O)NCCc1ccc(C(C)C)cc1 564775075 ASAJBBWFRJUAKX-UHFFFAOYSA-N 259.393 3.681 30 20 CHED N#Cc1ccccc1/C=C1/Oc2cccc(Cl)c2C1=O 811697177 AMRIHYHTTRKEPR-RIYZIHGNSA-N 281.698 3.828 30 20 CHED C(=NNc1nncc2ccccc12)c1cccc2cccnc12 818214547 CYMJMLOTWZYUPX-UHFFFAOYSA-N 299.337 3.624 30 20 CHED C=CCOCCOC(=O)c1ccc(C2=CCCC2)cc1 813895095 LZTATCYSWDYNRY-UHFFFAOYSA-N 272.344 3.613 30 20 CHED C=CCCN[C@@H](C)c1cc(C)ccc1OC(F)F 658117672 YITDXBDOKPPOFJ-NSHDSACASA-N 255.308 3.823 30 20 CHED C=CCC(F)(F)C(=O)NC1(c2ccc(Cl)cc2)CC1 815573806 UQTCFWBSXVQZCS-UHFFFAOYSA-N 285.721 3.657 30 20 CHED COc1ccc(CCC(C)=NOC/C=C\Cl)cc1 811669843 JYTZIEIIRQTQPU-TXJRHGLJSA-N 267.756 3.773 30 20 CHED C=C[C@H]1CCCCN1c1ncnc2sc3c(c12)CCC3 486495129 CUJJWAAXCYBYMG-NSHDSACASA-N 285.416 3.725 30 20 CHED C=CCN(CCC#N)c1nc2cccc(C)c2s1 488536343 VPPFWTMWNBXREX-UHFFFAOYSA-N 257.362 3.511 30 20 CHED Cc1sccc1C=NNc1cccc(Cl)n1 814939441 QTBVCDVCIWSOHF-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C=C[C@@H]1CCCCN1c1nc(C)nc2scc(C)c12 486465346 GTPORECJNRUAFD-GFCCVEGCSA-N 273.405 3.853 30 20 CHED CC(CCc1ccccc1F)=NOC/C=C\Cl 811669995 LXLGCQFHJDLMGZ-KNEYBMDDSA-N 255.720 3.903 30 20 CHED C[C@@H](C#N)OC(=O)C(F)(F)c1cc(Cl)ccc1Cl 817259314 XOFBNOSOIXMVTH-LURJTMIESA-N 294.084 3.540 30 20 CHED Cc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)s1 811696550 UKNMTQSDTYOSEU-JYRVWZFOSA-N 265.337 3.751 30 20 CHED COc1cc(CN[C@H](c2cccs2)C2CC2)ccc1C#N 579651458 GZCYLHMERZMPRM-KRWDZBQOSA-N 298.411 3.869 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1COc2ccc(Cl)cc21 488803148 PFGFCYQFGSOUQP-BXUZGUMPSA-N 293.794 3.677 30 20 CHED N#Cc1ccc(OCC[C@H]2CC2(Cl)Cl)cc1F 818080022 YZVJIBMFVOJJOY-VIFPVBQESA-N 274.122 3.660 30 20 CHED CC(CCCCCCC(=O)O)=NNc1ncccc1Cl 814810351 IXSNEVWYWYKNOI-UHFFFAOYSA-N 297.786 3.948 30 20 CHED CC(C)CCC(=NNC[C@@H]1CCSC1)C1CC1 811659231 UPTGTBKZSFJIII-LBPRGKRZSA-N 254.443 3.531 30 20 CHED N#CCOc1cccc(/C=C\C(=O)c2ccc(F)c(F)c2)c1 727743658 FWDXITIVIJWTFJ-DAXSKMNVSA-N 299.276 3.763 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(OCC(C)C)cc1 728157623 PKOTVEJOUCVORP-MDZDMXLPSA-N 298.386 3.957 30 20 CHED CC(C)N(Cc1ccc(C#N)cn1)[C@H](C)c1ccsc1 570643311 SQXMBAWIALLFQO-CYBMUJFWSA-N 285.416 3.986 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccccc1CCC(F)(F)F 491740007 ODXXJECRVBNTND-NSHDSACASA-N 298.308 3.667 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@H](C)S[C@H](C)C3)c2c1 573302978 VJZPULMMLPJWFQ-BETUJISGSA-N 297.427 3.745 30 20 CHED C=C[C@](C)(CC)C(=O)OCC[C@H]1CC1(Cl)Cl 820539203 NFNIZEQOEKYIDL-GXSJLCMTSA-N 265.180 3.716 30 20 CHED CCC/C(C)=C\C(=O)N(CCC#N)CC(CC)CC 729433321 OUEFQSYZHPLAGO-OWBHPGMISA-N 264.413 3.911 30 20 CHED Cc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)cn1 579665785 MROPDWOWFBBGRI-SFHVURJKSA-N 277.371 3.599 30 20 CHED C[C@](C#N)(NC(=O)/C=C\c1ccsc1)C1CCCCC1 492913653 RDLIPHVYBXWVIM-XITLMJRVSA-N 288.416 3.740 30 20 CHED CCC[C@@H](C)CC(=O)O[C@H](C)c1cccc(C#N)c1 727635992 QJDPYZFBXUHZPS-CHWSQXEVSA-N 259.349 3.989 30 20 CHED N#CC1(CCN2CCC[C@H]2[C@@H]2CCCOC2)CCCCC1 584348639 BVKYVCQWROKRRT-SJORKVTESA-N 290.451 3.742 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(C)n(C(C)C)n2)C1 667271829 AJOJCFDZANXSJW-AWEZNQCLSA-N 290.411 3.592 30 20 CHED C#CC[C@H](OC(=O)c1cc(C)sc1C)c1ccccn1 727776316 ZJQOQSMULLAYIA-HNNXBMFYSA-N 285.368 3.681 30 20 CHED C=CCC1(NCc2ccc(-n3ccnc3)nc2)CCCCC1 825024436 PCQLRUXHVCYDNC-UHFFFAOYSA-N 296.418 3.636 30 20 CHED Cc1cc(Cl)ccc1/C=C\C(=O)c1cn(C(C)C)nn1 901528923 UTBXJDIKXURLCX-ALCCZGGFSA-N 289.766 3.717 30 20 CHED C[C@@H](NC(=O)C(C1CCC1)C1CCC1)c1cccc(C#N)c1 586790878 AFVZJDOIVVUJEG-CYBMUJFWSA-N 296.414 3.952 30 20 CHED CC[C@@H](C)C(=O)N(O)Cc1cccc2ccccc12 901371289 SYNBXVWHNIIUGQ-GFCCVEGCSA-N 257.333 3.604 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1cnoc1C1CC1 580708390 HHIHBHVOZBPGFD-UHFFFAOYSA-N 288.734 3.965 30 20 CHED CC(C)(C)CCCCNC(=O)CCCCCC#N 588156869 JQMPNYYZWMLLOL-UHFFFAOYSA-N 252.402 3.793 30 20 CHED Cc1cnc(NCC(C)(C)CCC#N)c(Br)c1 588844924 OYVHERPOPZMJQI-UHFFFAOYSA-N 296.212 3.894 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccccn1 835132066 HMDABMOCJKSDHZ-HWMZRRJGSA-N 285.387 3.762 30 20 CHED CCOc1ccc(O)c(C=Nc2ccccc2CCOC)c1 588554826 FGRGOHUDQSJTOD-UHFFFAOYSA-N 299.370 3.730 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccccn1 835132067 HMDABMOCJKSDHZ-MPTYRVRUSA-N 285.387 3.762 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2ccc(Cl)cc2)C1 839040750 AYXHDSMPLLIMJX-TZMCWYRMSA-N 277.751 3.508 30 20 CHED C[C@H]1C/C(=C\c2ccc(F)nc2)C(=O)c2ccccc21 588524151 ZJOLHRVLZARJAN-GJSJWPQCSA-N 267.303 3.994 30 20 CHED C=CCC[C@@H](NCC[C@H]1CCCC[C@H]1O)c1ccco1 903264425 OFJUIDDICHYITC-BZUAXINKSA-N 277.408 3.818 30 20 CHED CCCn1cc(N[C@@H](CC)c2cccc(C#N)c2)cn1 902915994 CPSXBLVFLCHXDO-INIZCTEOSA-N 268.364 3.728 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C[C@@H]2CC[C@H]3C[C@H]23)n1 835201099 SJWOJIFLYUEWED-ZDEQEGDKSA-N 288.416 3.879 30 20 CHED C=C[C@H](CC)CC(=O)OCc1coc(C(C)(C)C)n1 905445869 VAPZNFOFJFHDHJ-LLVKDONJSA-N 265.353 3.618 30 20 CHED COc1ccc2cc(/C=C/C(=O)O[C@@H](C)CC#N)ccc2c1 733711231 YGMUXIGPHIUHAG-GBVBUYCNSA-N 295.338 3.707 30 20 CHED CC(CCC1CCCCC1)=NNc1ccnc(N(C)C)n1 739411895 SOGDDVCMLYLJCS-UHFFFAOYSA-N 289.427 3.691 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(Br)s1 835094649 KZJRJYIKICMZRQ-UHFFFAOYSA-N 289.194 3.766 30 20 CHED CC(C)(C)c1nc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cs1 839049097 HIOINDQYHMXXPT-QWRGUYRKSA-N 292.404 3.680 30 20 CHED CC(=NNc1ncccc1Cl)c1c(F)cccc1F 917549363 MSMPPSVGPZTWCL-UHFFFAOYSA-N 281.693 3.849 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H](C)c1ccc2ccccc2c1 594096718 GUTPDWZCYVVGAO-CXAGYDPISA-N 280.371 3.704 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)C2CC3(CC3)C2)cc1C#N 597718748 AXZMVUBNECXKLG-UHFFFAOYSA-N 298.386 3.864 30 20 CHED C#CCOc1ccccc1C=NNc1ccccc1CC 915051842 VBEPTLCGVMFKFV-UHFFFAOYSA-N 278.355 3.707 30 20 CHED CCCCCCCC(=O)OCc1nc(C)cs1 744312607 NDYYHHYQQHCNMY-UHFFFAOYSA-N 255.383 3.855 30 20 CHED C=C[C@H](C)ONC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 846554268 JEQJZZBCQIHOEG-VHSXEESVSA-N 287.281 3.588 30 20 CHED CCC(C#N)(CC)C(=O)NCCC1=CCCCCC1 599765926 UIYRBPZPIZBULX-UHFFFAOYSA-N 262.397 3.713 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCC[C@@H]2C[C@@H]21 591243967 VCVCPVBONYHZPI-BZZMCLGOSA-N 266.388 3.714 30 20 CHED C=CCN(C(=O)/C=C\c1nc2ccccc2s1)C(C)C 915147750 IJNVYSOTNFJXLV-KTKRTIGZSA-N 286.400 3.733 30 20 CHED C=CC[C@@H](NC(=O)[C@H](C)C1CCCC1)c1ccncc1 749392718 ZITHYMBEPYIORQ-CZUORRHYSA-N 272.392 3.641 30 20 CHED COC(=O)c1ccc(C=NNc2ccccc2Cl)cc1 916262884 USVPCJXTNVVCLK-UHFFFAOYSA-N 288.734 3.573 30 20 CHED N#CCOc1ccc(CSc2ccc(C#N)cc2F)cc1 741860903 QVVNBLUXIIZDQW-UHFFFAOYSA-N 298.342 3.892 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc3c2OCCO3)c(C)c1 917516570 AXMNLSAUSHJMSA-VQHVLOKHSA-N 294.350 3.971 30 20 CHED Cc1ccc(C)c(CNCCc2ccc(C#N)cc2)c1 594954176 DLLQDPJTCXMISY-UHFFFAOYSA-N 264.372 3.507 30 20 CHED CC(C)c1nc(C#N)c(NN=C2CCc3ccc(F)cc32)o1 748784982 FFLMFUVQGDKCJV-UHFFFAOYSA-N 298.321 3.571 30 20 CHED CC(C)c1ccc(CCC(=O)OCCCCC#N)cc1 919396078 QPWYJJFECPAFBX-UHFFFAOYSA-N 273.376 3.980 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 597041063 FOTRNTCYTYEJKC-ZWKOTPCHSA-N 298.430 3.796 30 20 CHED CC1(C)[C@@H]2C[C@@H]1CC=C2COC(=O)Cc1ccc(C#N)cc1 749785053 FRIYEYHZBZQSFN-DLBZAZTESA-N 295.382 3.636 30 20 CHED Cc1cc(C(=O)N2CCC[C@H](CC#N)C2)c(C)cc1Cl 597903554 KFYVDVCNWPCOBU-CYBMUJFWSA-N 290.794 3.723 30 20 CHED CCC(=NNCC(F)F)c1cc(Cl)cc(Cl)c1O 740617152 CTOHCZCMUNREDR-UHFFFAOYSA-N 297.132 3.668 30 20 CHED Cc1sc(NC(=O)Cc2cccc(C#N)c2)nc1C(C)C 597894822 OQEMTOHLCCJSLE-UHFFFAOYSA-N 299.399 3.628 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)CCSCC)C1 595539871 NNKXEVSUTPRLMJ-KBPBESRZSA-N 284.469 3.516 30 20 CHED C=C[C@H](C)ON=C(CC(F)(F)F)c1ccccc1 844623993 LBIRDFMBCOWVMG-JTQLQIEISA-N 257.255 3.934 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cnc2ccccn12 740765205 SDXQJLSLMDNMMO-CLFYSBASSA-N 292.338 3.547 30 20 CHED C=C[C@H](OC(=O)CCc1scnc1C)C(C)(C)C 842350440 SHXYBFZKMVWHAF-LBPRGKRZSA-N 267.394 3.528 30 20 CHED O=C1/C(=C\c2ccnn2CC2CC2)CSc2ccccc21 849243811 YGJBYHWYFSLBPY-LCYFTJDESA-N 296.395 3.665 30 20 CHED N#Cc1ccncc1N1CCC[C@@H](c2ccc(F)c(F)c2)C1 599119260 SBSMTKXEGXNJKP-CQSZACIVSA-N 299.324 3.615 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 929614471 GBFWINCCDVSQLV-GFCCVEGCSA-N 286.375 3.576 30 20 CHED COc1ccc([C@@H](C)Nc2snc(Cl)c2C#N)cc1 746079207 PRISLQNVXRGAPM-MRVPVSSYSA-N 293.779 3.850 30 20 CHED c1ccc(N/C(=N/CCC2CC2)N2CCCCC2)cc1 849100846 IMNFTGJGJKGHGE-UHFFFAOYSA-N 271.408 3.741 30 20 CHED CO[C@H](C/N=C\c1ccccc1O)c1ccc(Cl)cc1 741758146 RCNQZUAELYHUSI-LTKMBJGESA-N 289.762 3.852 30 20 CHED C[C@@H](CN[C@H](C)CC(C)(C)C#N)Oc1cccc(F)c1 925156825 QSKLIWZUGOGYJX-OLZOCXBDSA-N 278.371 3.511 30 20 CHED CC(C)Oc1ccc(CCN[C@H](C)CC(C)(C)C#N)cc1 924612836 MECMUUKUENMTHZ-OAHLLOKOSA-N 288.435 3.934 30 20 CHED C=CCN(C(=O)CC(C)(C)c1ccccc1)C(C)C 921278834 JLKVKZNYTDOWPQ-UHFFFAOYSA-N 259.393 3.777 30 20 CHED CC#CCCCC(=O)OCCC1(C#N)CCCCC1 840456081 VQRNMBJHWKKVPG-UHFFFAOYSA-N 261.365 3.587 30 20 CHED COc1ccc(CC[C@@H](C)N[C@@H](C)CC(C)(C)C#N)cc1 924855809 SXCQWGUKNKRMFV-CABCVRRESA-N 288.435 3.934 30 20 CHED C#CCN(Cc1cc(C2CC2)no1)[C@@H]1CCc2ccccc21 851736733 VREJLYBDMNWXCU-LJQANCHMSA-N 292.382 3.675 30 20 CHED CCCCCC(=O)OCc1ccc(C#N)cc1OC(F)F 752528547 KVRUYWQEXBOIMB-UHFFFAOYSA-N 297.301 3.783 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccccc1SC(F)F 753944511 CHRSAOSNHYGYEV-UHFFFAOYSA-N 284.331 3.535 30 20 CHED O=C(/C=C/c1cscc1Cl)c1cc(O)cc(O)c1 753717939 RQRUAAAIKWORJN-OWOJBTEDSA-N 280.732 3.709 30 20 CHED CCc1ccccc1NN=C(C)CC1CCOCC1 757579688 QUMQSGFBKOHBJP-UHFFFAOYSA-N 260.381 3.854 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)CCc1cscn1 851141943 FBJLPXAXFZWUSH-GXTWGEPZSA-N 279.405 3.754 30 20 CHED CCC[C@H](NCCCCC#N)c1ncccc1Cl 924942640 PEBIBFUTVCSYOT-ZDUSSCGKSA-N 265.788 3.860 30 20 CHED C=C[C@@H](OC(=O)c1ncoc1C(C)C)c1ccccc1 857658783 MZPFYRONFKTYDY-CYBMUJFWSA-N 271.316 3.882 30 20 CHED CCCC[C@@](C)(F)C(=O)OC[C@@H](C#N)Cc1ccccc1 850882307 OFZMQEQIYAKURZ-NVXWUHKLSA-N 291.366 3.830 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2nc(C)c(C)s2)C1 853827196 NWOAYYNQKYALKT-GFCCVEGCSA-N 279.409 3.580 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)C1CCOCC1 755872091 OBKRHRRFIOTGRY-UHFFFAOYSA-N 286.297 3.920 30 20 CHED COc1cc(F)cc(NN=Cc2ccc(C)cc2)c1 759209811 JUBRHBODCPWKKZ-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@@H]1CC(C)C)c1ccccc1 757065542 VJHMKIKXLVHONY-QZTJIDSGSA-N 298.430 3.971 30 20 CHED C=CCCONC(=O)CC1(CSc2ccccc2)CC1 856034016 ZNWAGXFKFHYVAU-UHFFFAOYSA-N 291.416 3.573 30 20 CHED CCCC1CCC(/N=C/c2ccc(O)c(O)c2O)CC1 920174975 RVVASHANONHIHY-LICLKQGHSA-N 277.364 3.581 30 20 CHED Cc1ccc(CON=C(c2ccccc2)C(F)(F)F)nc1 751961585 FLEKIDIRXFXGST-UHFFFAOYSA-N 294.276 3.873 30 20 CHED C[C@@H](CCC(=O)OCC1(CC#N)CC1)c1ccccc1 750349083 ZPHQQRYGSVIXPM-AWEZNQCLSA-N 271.360 3.807 30 20 CHED C=C[C@@H](CC)CC(=O)NCC1(CCOC)CCCCC1 935471162 KTMWZSOYAYYLPW-HNNXBMFYSA-N 281.440 3.692 30 20 CHED Cc1ccnc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 755907154 VRNVMIVCDYTAOK-SYQHCUMBSA-N 255.365 3.614 30 20 CHED C=C(C)[C@H](N[C@H]1CC[C@H](OC)C1)c1ccc(F)c(F)c1 851945289 AILRTJLWNVZNQG-XEZPLFJOSA-N 281.346 3.739 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C(C)(C)C1CCC1 851206678 VQNDPJKAJSIIPI-NSHDSACASA-N 251.370 3.684 30 20 CHED CCCC[C@H](C(=O)Nc1cccc(OCC#N)c1)C(C)C 857579100 ZGACWMJRJULZMX-INIZCTEOSA-N 288.391 3.990 30 20 CHED COc1ccc(/C=C\C(=O)c2coc(C(C)C)n2)cc1F 752882562 NDNJVLALCZEGNR-XQRVVYSFSA-N 289.306 3.842 30 20 CHED N#Cc1cc(F)cc(NCc2cc(Cl)cc(F)c2O)c1 864044317 WRLWFWIRFVACNF-UHFFFAOYSA-N 294.688 3.808 30 20 CHED CC1(C)CCCN(Cc2nc(Cl)ccc2Cl)[C@@H]1C#N 769893583 QFRLVUPAGZJHCZ-GFCCVEGCSA-N 298.217 3.903 30 20 CHED CCSc1cccc(C=NNc2nccnc2Cl)c1 769780224 TXNBOTQNEQJKTD-UHFFFAOYSA-N 292.795 3.688 30 20 CHED C=CCOCCCC(=O)Nc1ccc(OCCC)c(C)c1 863527757 KVZIKCKMJJDQLJ-UHFFFAOYSA-N 291.391 3.705 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H](c1cccnc1)C(C)C 934323805 YTGGEKZXNPDBRO-ZBFHGGJFSA-N 274.408 3.540 30 20 CHED CC#CCCCC(=O)Oc1ccc2ccccc2c1 767049809 OGOGXUISWWGSIB-UHFFFAOYSA-N 252.313 3.939 30 20 CHED Cc1cccc(NN=C2CS[C@H](C(C)(C)C)C2)n1 863160391 BXYAHVWIIRZBPM-LBPRGKRZSA-N 263.410 3.710 30 20 CHED CCCCCCNC(=O)Nc1ccc(C#N)cc1Cl 768996132 ODQVPJLDRABQMW-UHFFFAOYSA-N 279.771 3.913 30 20 CHED CCOc1cccc(/C=N/Cc2ccc(OC)cc2C)c1O 764415021 XGUONGIYQDOIBQ-XDHOZWIPSA-N 299.370 3.727 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)CCC(C)(C)C 767164371 FOHAPJUGFSIFQJ-LBPRGKRZSA-N 291.357 3.863 30 20 CHED Cc1cc(F)ccc1NN=Cc1c[nH]nc1C(C)(C)C 1116354163 VEQIGLKPTOHBHB-UHFFFAOYSA-N 274.343 3.601 30 20 CHED C=C1CCN([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 878087767 XTFFAKOTSHHSJJ-ZDUSSCGKSA-N 292.810 3.627 30 20 CHED N#C[C@H](OC(=O)Cc1c(F)cccc1F)C1CCCCC1 776397643 QCYLYIHALUNYKD-HNNXBMFYSA-N 293.313 3.523 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1ccccc1C(C)(F)F 879750951 YKGRKHDUMOFCEJ-AWEZNQCLSA-N 280.318 3.722 30 20 CHED C=C(CC)COC(=O)c1cc2ccccc2cc1NC(C)=O 773456141 KIOLVPUACKHTDU-UHFFFAOYSA-N 297.354 3.921 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1ccc2[nH]ccc2c1 776399236 IIZWOUCTXVHYFR-UHFFFAOYSA-N 284.359 3.584 30 20 CHED C=CCC[C@@H](C)OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 772780688 MMHMOJDEWNPHHZ-SNVBAGLBSA-N 288.303 3.588 30 20 CHED C=C(C)CNC(=O)/C=C/c1ccccc1O[C@@H](C)CC 777835298 VFOJXTDOIFBUBF-VNDWYCCKSA-N 273.376 3.569 30 20 CHED C[C@H](NC(C1CC1)C1CC1)c1ccc(C#N)c(F)c1 776731848 IRUPZZRZEVIODG-JTQLQIEISA-N 258.340 3.537 30 20 CHED CC(C)(C#N)CCOC(=O)c1ccc(F)c(Cl)c1 776396436 SPHQNKHPIACCHX-UHFFFAOYSA-N 269.703 3.576 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCCOCC1 776782883 MQHBQFXZQZAWFI-UHFFFAOYSA-N 269.348 3.512 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(Cl)c(OC)c(OC)c1 880538031 KAJHQAZMMXHEKS-UHFFFAOYSA-N 297.782 3.898 30 20 CHED C=CC[C@H](NC(=O)N1[C@@H](CC)CC[C@H]1C)c1ccncc1 772494019 LIJKHHZYCQENKK-KBMXLJTQSA-N 287.407 3.671 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](F)Cc1ccccc1 777939595 GMGPWAMTQFYDSG-GOSISDBHSA-N 297.373 3.782 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCO[C@H](C)C1 776783296 SRBHCSMHWPVKLD-GFCCVEGCSA-N 269.348 3.510 30 20 CHED C=CC[C@@H](NC(=O)c1ccc(C(C)C)nc1)c1ccncc1 772086487 ORFWDKXSLOXALT-QGZVFWFLSA-N 295.386 3.647 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1ccc(N)cc1 773127255 ZPLVHZJXQVCDIQ-OAHLLOKOSA-N 259.397 3.551 30 20 CHED C#CCCCCC(=O)OCc1cccc(Cl)c1 773630321 JPYJUMCOYBMHSA-UHFFFAOYSA-N 250.725 3.577 30 20 CHED C[C@@H](OC(=O)c1ccccc1CC#N)c1cccc(C#N)c1 782604587 LPYLOFSLXKEQOA-CYBMUJFWSA-N 290.322 3.542 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1ccc2c(c1)COC2 782288270 OUBIPFZAWBVIBR-INIZCTEOSA-N 272.392 3.609 30 20 CHED C#CCCCNc1nc2cc(Cl)cc(Cl)c2o1 788542865 SMCSRTBCZGIORT-UHFFFAOYSA-N 269.131 3.960 30 20 CHED CC[C@H](C)CC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1 1122606859 RTLZZBFLPSCYBH-GOEBONIOSA-N 295.386 3.544 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2cc3ccccc3[nH]2)c1 788438160 ZIPUOTWZUHLMQF-UHFFFAOYSA-N 295.733 3.534 30 20 CHED C#CCC1(C(=O)N(C)c2ccccc2)CCCCC1 788147980 IASWPQOOAKYJOM-UHFFFAOYSA-N 255.361 3.623 30 20 CHED COc1c(C/N=C/c2ccccc2O)oc2ccccc12 788675246 SHDZDDBNSDOMAJ-VCHYOVAHSA-N 281.311 3.766 30 20 CHED CC(=NNCCc1ccccn1)C12CC3CC(CC(C3)C1)C2 789105158 NBMBCGIYBNNKIU-UHFFFAOYSA-N 297.446 3.806 30 20 CHED C#CCC(C)(C)C(=O)OCC[C@H](C)OCc1ccccc1 789091724 VHAGTWMEEZUMCB-HNNXBMFYSA-N 288.387 3.575 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cccc(OC(F)F)c1 785758908 ZOAJTYLZFHFDHQ-OAHLLOKOSA-N 284.302 3.934 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1sccc1Cl 785917146 ZGLDXDVHOXOYKE-CYBMUJFWSA-N 288.796 3.674 30 20 CHED C#CCCCCCc1nc(-c2ccc(Cl)cn2)no1 896957483 KNVITFMSBUOFKS-UHFFFAOYSA-N 275.739 3.521 30 20 CHED C#C[C@@H](OC(=O)c1ccc(-c2ccccc2)nc1C)C1CC1 780463551 YQPLOBJAKTVXGF-GOSISDBHSA-N 291.350 3.626 30 20 CHED C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc(F)ccc1O 787034122 RVUUBKWQHQAFKI-APPDUMDISA-N 296.345 3.741 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(Cl)ccc1F 782198680 KMINMFKMVVOQBI-UHFFFAOYSA-N 283.730 3.966 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)c1nnc2ccccn12 793515022 HRBSPCPCIMPFQX-HUUCEWRRSA-N 286.423 3.905 30 20 CHED Fc1cncnc1NN=Cc1ccc(C2CCCC2)cc1 793224913 BVFOVGJGTCCMPU-UHFFFAOYSA-N 284.338 3.719 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(CC#N)c1 1205387351 HSXCHYONCFZVMR-AWEZNQCLSA-N 293.370 3.978 30 20 CHED COc1ccc(CCC(C)=NNc2ncccc2F)cc1 794989546 IHWMHFGMVVSHAQ-UHFFFAOYSA-N 287.338 3.650 30 20 CHED Cc1ccc(NC(=O)NCCc2ccc(C#N)cc2)cc1C 1202832204 IWYAXUAZQAMTSU-UHFFFAOYSA-N 293.370 3.539 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1cc(C)on1 790282084 QESLVLUZMGHNRD-UHFFFAOYSA-N 283.253 3.838 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNc1nc(-c2ccncc2)no1 797402724 MAOLINJUBIJOEJ-VXGBXAGGSA-N 299.378 3.746 30 20 CHED CC(=NNc1cccc(F)n1)[C@H](C)c1ccccc1 795007087 QBAQVKRWCAIERV-NSHDSACASA-N 257.312 3.812 30 20 CHED CCCOc1ccc(CN(C[C@H](C)C#N)C2CC2)c(C)c1 1204674631 VNVDJIYIOUYVAT-CQSZACIVSA-N 286.419 3.908 30 20 CHED CCOc1ccccc1NC(=O)Nc1cccc(CC#N)c1 1202147281 QQQARNJPBFOVTQ-UHFFFAOYSA-N 295.342 3.795 30 20 CHED N#CCC1(COC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 797075045 SGHPURLXXPBISS-SOUVJXGZSA-N 275.392 3.830 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2cc(C)cc(C#N)c2)C1 1206296597 CLPSMTZWFSVOLA-ZFWWWQNUSA-N 285.391 3.957 30 20 CHED C=CCNN=Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C 794999582 LJPUZZZYBWTNNA-UHFFFAOYSA-N 296.418 3.588 30 20 CHED CC(C)CC[C@@H](C)NC(=O)/C=C\c1ccccc1C#N 799604750 QXNQADORCWTOTO-IWMPZKFUSA-N 270.376 3.512 30 20 CHED Cc1ccc(F)c(NN=CCc2ccc([N+](=O)[O-])cc2)c1 793026168 QKFUCHHLMDASIX-UHFFFAOYSA-N 287.294 3.683 30 20 CHED C#CCCCCC(=O)Nc1nc(C)c(C(F)(F)F)s1 799379237 IGUVEDFANAIKRE-UHFFFAOYSA-N 290.310 3.602 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)Nc1ccc(C#N)c(F)c1 1219031104 XRKKUAXCDQCTMT-HBYGRHMLSA-N 289.354 3.644 30 20 CHED Cc1cccc2cc(Oc3ccc(C#N)cn3)cnc12 1163522334 BKWRZRVDMOUOES-UHFFFAOYSA-N 261.284 3.602 30 20 CHED CCOc1ccc(NCc2ccc(C#N)cc2F)cc1 20040283 CTBAUTSZPVRROO-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CC(C)(C)ON=Cc1ccc(Br)cc1F 1319805897 YWALCFWYJSLZRE-UHFFFAOYSA-N 274.133 3.737 30 20 CHED N#CC[C@H]1CCCN(Cc2sccc2Cl)C1 397606810 HJGLYWRICANSPG-SNVBAGLBSA-N 254.786 3.527 30 20 CHED CCO[C@@H]1C[C@H](Nc2cccc(CC#N)n2)C1(CC)CC 1325710966 ZIRFMGNTKKHYQN-LSDHHAIUSA-N 287.407 3.543 30 20 CHED Cc1cc(F)c(-c2nnc(-c3ccc(C#N)cc3)o2)cc1F 1322894228 OHZQFFLZAWSQBX-UHFFFAOYSA-N 297.264 3.862 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)c1csc(C#N)c1 1327932647 PHGREHDUXFLFEX-HNNXBMFYSA-N 298.411 3.761 30 20 CHED Cc1ccc(NN=Cc2nccs2)cc1Cl 1324459677 LKORKXBZLQWHFO-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C=C(C)[C@H](Cc1nnc(-c2ccc(CC)cc2)o1)OCC 1329256057 GMAZKRPMRWFBIK-HNNXBMFYSA-N 286.375 3.823 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)c2ccc(F)c(F)c2)c1 1252103612 BDOAWKHTPJUFQE-LLVKDONJSA-N 285.293 3.688 30 20 CHED C[C@H](CC#N)NCc1ccc(OCc2ccccc2)cc1 68609357 QJVNXSXMQCNHDB-OAHLLOKOSA-N 280.371 3.657 30 20 CHED C=CCCO[C@H](C)c1nnc(CCc2ccccc2)o1 1257938144 VWRIEGHKJQBJPE-CYBMUJFWSA-N 272.348 3.509 30 20 CHED C=C1CCN(C(=O)N[C@@H](C)c2cc(C)sc2C)CC1 1336683773 CNCVIXXYJNQKFC-LBPRGKRZSA-N 278.421 3.788 30 20 CHED N#Cc1nc(NCc2cccc3ncccc23)ccc1Cl 1187543087 YQKITRDXQYNIDI-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CSc1ccc(C)c(C(=O)N[C@@H](C#N)C2CCCC2)c1 1334282900 XWUJTDLDRYLSTE-HNNXBMFYSA-N 288.416 3.529 30 20 CHED CCCCCCCN1CCC([C@@H]2CCOC2)CC1 784340592 GRWSPUJJOMVQMR-MRXNPFEDSA-N 253.430 3.705 30 20 CHED C=CCC(C)(C)C(=O)NCCc1c[nH]c2ccc(C)cc12 1336246101 HJSIDZSNSXPCNW-UHFFFAOYSA-N 284.403 3.737 30 20 CHED C=CCC[C@H](O)CN1C[C@@H]2CCCC[C@]21c1ccccc1 1333638362 HRMDEQKYARNBOE-FHWLQOOXSA-N 285.431 3.715 30 20 CHED Cc1ncoc1C(=O)O[C@@H](C)CCCC#C[Si](C)(C)C 1346966414 KSJFTFQXHGDTMV-LBPRGKRZSA-N 293.439 3.579 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCNc3ccccc32)CCCC1 1340756617 XUAUIUDYLHKGDQ-OAHLLOKOSA-N 298.430 3.981 30 20 CHED CC1(CC(=O)Nc2cnc(Cl)cc2C#N)CCCCC1 1349666201 ACIABTKFVNLCCB-UHFFFAOYSA-N 291.782 3.906 30 20 CHED CCC[C@@H](CC)C(=O)Nc1cc(C#N)ccc1OCC 1355574484 MHGJYRVCADIKLO-CYBMUJFWSA-N 274.364 3.722 30 20 CHED CCOc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1C 1436222388 MABGDWKJVYVRLQ-UHFFFAOYSA-N 298.317 3.657 30 20 CHED Cc1cc(F)cc(C)c1C(=O)N(C)Cc1cccc(C#N)c1 1350010722 TUKKNBXQYUYXHQ-UHFFFAOYSA-N 296.345 3.586 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@@](C)(CC)C(F)(F)F 1517812221 RZKNNFYSEIMFGG-AAEUAGOBSA-N 292.345 3.858 30 20 CHED C=C[C@@H](C(=O)N[C@@H]1CCCc2occc21)c1ccccc1 1527425916 OZLVBTKEJHJPLE-GDBMZVCRSA-N 281.355 3.743 30 20 CHED CCSc1ccccc1CC(=O)O[C@H]1CC[C@@H](C#N)C1 1525006840 RZSQEUQSFSRAGO-OCCSQVGLSA-N 289.400 3.577 30 20 CHED C[C@H](CN(C)c1ccncc1C#N)C1CCCCC1 1458534536 ZBGGMHZLPZXBTH-CYBMUJFWSA-N 257.381 3.606 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1532445843 IVRIFQDTNVAXOW-IDHHARJASA-N 296.414 3.811 30 20 CHED N#Cc1cccc(C#N)c1NCc1cccc2ncccc12 1559274164 PWECGBHXMSXYBG-UHFFFAOYSA-N 284.322 3.590 30 20 CHED CC[C@H](C)CSc1ncc(C#N)cc1Br 1639635444 WZFOJKXGWOWLGX-QMMMGPOBSA-N 285.210 3.854 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1 1564122641 CHVZAJYNXRBYKB-IAGOWNOFSA-N 299.418 3.574 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2cc(C#N)ccc2F)C1 1562915354 IMWZHGUCKJYIFD-DGCLKSJQSA-N 289.354 3.645 30 20 CHED Cc1cccc(N(C)C(=O)Nc2scc(C)c2C#N)c1 1562766775 PRPOZEFYFKDFNQ-UHFFFAOYSA-N 285.372 3.905 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1640760073 BKTMJZCQCNEZOF-YPMHNXCESA-N 296.374 3.508 30 20 CHED Cc1cc(=NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C#N)c[nH]1 1642172845 UZMXCBNKZACGLK-UKPHBRMFSA-N 285.435 3.804 30 20 CHED Cc1ccc(N(C)Cc2ccc(F)cc2C#N)c(F)c1 1643425569 NSLRATFKARHIMC-UHFFFAOYSA-N 272.298 3.781 30 20 CHED CC(C)CCN(CCC#N)Cc1cc(O)cc(Cl)c1 1657304163 JBVBMQZANXDMQE-UHFFFAOYSA-N 280.799 3.807 30 20 CHED C=C(Cl)Cn1c(C2CCCC2)nnc1N1CC[C@H](C)C1 1740810413 VDQQBSYKLUAJQU-NSHDSACASA-N 294.830 3.534 30 20 CHED N#Cc1c[nH]ccc1=N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 1655579356 PGHZNHAYEIBVMI-CJNGLKHVSA-N 297.789 3.777 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNc1cc(C)c(C#N)cn1 1651897137 MNNVYNZHIUHRLO-ZIAGYGMSSA-N 257.381 3.890 30 20 CHED COc1ccccc1CCNc1cccc(Cl)c1C#N 219035746 WJGSOTGCJXCIRR-UHFFFAOYSA-N 286.762 3.875 30 20 CHED C[C@@H]1CCCC(=NNc2ccccc2C(=O)O)CC1 1776031139 OPRYDCNAEHJODX-LLVKDONJSA-N 260.337 3.753 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1ccc(F)c(C(=O)O)c1 1776062558 ZMWIPWMFMBBQQY-JTQLQIEISA-N 298.317 3.532 30 20 CHED CC(C)C[C@@H]1CCCC(=NNc2ccc(C(=O)O)nc2)C1 1776070996 VVYQUJSUKNYQFZ-LBPRGKRZSA-N 289.379 3.784 30 20 CHED CC[C@@H]1CCCCCC1=NNc1ccc(C(=O)O)nc1 1776072166 LTHBYJBPPJBCII-LLVKDONJSA-N 275.352 3.538 30 20 CHED C=CCC(CC=C)C(=O)NCc1cc(C(CC)CC)no1 150895951 FODYGHZOFBNBKX-UHFFFAOYSA-N 290.407 3.963 30 20 CHED N#Cc1cccc(-c2csc(NC(=O)C3CCCC3)n2)c1 161129178 DLOWZGQQSMONBT-UHFFFAOYSA-N 297.383 3.810 30 20 CHED CCCC(C)(C)NC(=O)N[C@@H](CCC#N)c1ccccc1 160631139 GYQMCRPBOVXLIC-HNNXBMFYSA-N 287.407 3.909 30 20 CHED CC[C@@H]1CCCCN1Cc1ccc(O[C@@H](C)C#N)cc1 157450817 OVYIZRWHZJODDF-GOEBONIOSA-N 272.392 3.742 30 20 CHED CC[C@@H](C#N)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 157984766 QFUYKQNENYVSAO-GWCFXTLKSA-N 298.308 3.617 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2Cl)C1 912389832 VUFNPLQNFWPRNB-SNVBAGLBSA-N 299.201 3.817 30 20 CHED CCCCCCCCCN1C(=O)[C@@H]2CCCCN2C1=O 915794111 FZKPLDSVIDTXCM-AWEZNQCLSA-N 280.412 3.554 30 20 CHED CCC(CC)(CNCc1ccc(OC)c(C#N)c1)SC 230707626 SKQKXTKBJQVXFD-UHFFFAOYSA-N 292.448 3.578 30 20 CHED CCc1nnc(Sc2ccc(F)cc2)c(C#N)c1CC 125402084 JCHCGVWASGFMOD-UHFFFAOYSA-N 287.363 3.763 30 20 CHED N#Cc1ccnc(N[C@@H]2CCOc3ccccc32)c1Cl 236051475 LGROOZGIIHAAHW-GFCCVEGCSA-N 285.734 3.542 30 20 CHED Cc1cc(Cl)ccc1C(=O)N(CC#N)C1CCCC1 154536785 DPQSAMVGXNQFLV-UHFFFAOYSA-N 276.767 3.557 30 20 CHED C[C@@H]1C[C@H](NCc2cccc(C#N)c2)c2ccccc21 264398625 VBGSJFZHABOJMW-ACJLOTCBSA-N 262.356 3.896 30 20 CHED C=CC[C@H](C)N[C@H](c1ccccc1)c1ccccn1 166146625 CTIJKBUCCSEUID-WMLDXEAASA-N 252.361 3.725 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cscn2)cc1 287570170 QPANJUZDMWJWEY-LBPRGKRZSA-N 274.389 3.559 30 20 CHED CCN(Cc1ccc(C#N)c(F)c1)C1CCCCC1 404272667 QIIGLQHRBXUPSR-UHFFFAOYSA-N 260.356 3.852 30 20 CHED C=CCCCCN[C@@H](C)CCc1ccc(OC)cc1 311644827 SEGNXSFPKUOFHT-HNNXBMFYSA-N 261.409 3.962 30 20 CHED Cc1nc(NCC(C)(C)c2cccs2)ccc1C#N 311906443 BGTXLESLJVIUTD-UHFFFAOYSA-N 271.389 3.713 30 20 CHED C=CCOc1ccc(CNCc2sc(C)nc2C)cc1 313159428 HNHHTSMDEJRLAI-UHFFFAOYSA-N 288.416 3.615 30 20 CHED COCC1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 413532289 NVRDXAOJVUUQEP-UHFFFAOYSA-N 278.783 3.829 30 20 CHED CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)cc1 338334630 ZXTFCJUZBSUMNC-UHFFFAOYSA-N 285.372 3.674 30 20 CHED C=CCOCCCN[C@H](C)c1oc2ccccc2c1C 470771584 GDPZBORDZUWCAL-CQSZACIVSA-N 273.376 3.985 30 20 CHED N#Cc1ccc(OC[C@@H]2CCCOC2)c2ccccc12 591372855 CSLZTUNPTRNHMU-CYBMUJFWSA-N 267.328 3.517 30 20 CHED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCCC#N)cc1 496049428 RPNWVBCYJKSNLJ-LBPRGKRZSA-N 289.379 3.598 30 20 CHED CCC[C@@H](CNc1cccc(OCCCC#N)c1)OC 386582517 PHFPOPGSBUOVAL-INIZCTEOSA-N 276.380 3.596 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 815636926 GGFMMVRQSCQFCS-ZIAGYGMSSA-N 296.455 3.624 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2 398103978 YTARXZBDYOYAKP-ZDUSSCGKSA-N 272.392 3.519 30 20 CHED CC(=NOCc1ccccc1)c1ccc(C)cc1O 839423696 SSPXXHMNBJKZJK-UHFFFAOYSA-N 255.317 3.641 30 20 CHED Cc1cc(C#N)cc(NCc2csc(C(C)(C)C)n2)n1 865497098 IDRWTKGBLPHVNT-UHFFFAOYSA-N 286.404 3.628 30 20 CHED CC1(C)CCCN(C/C=C/c2ccccc2)[C@H]1C#N 444723793 XFCQCFYULGXMFG-DHINHOHASA-N 254.377 3.714 30 20 CHED N#Cc1c(F)cccc1NCc1cc(F)cc(F)c1 30517303 UQGJIPJZIYMKSY-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1cc(NCc2cccc3c2OCO3)ccc1Cl 36972858 MJIIWMJDZGUKCF-UHFFFAOYSA-N 286.718 3.552 30 20 CHED Cc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 37214519 AGYFSOWOASZNEP-OAHLLOKOSA-N 280.371 3.748 30 20 CHED N#Cc1cccc(CNCC2(c3ccccc3)CCC2)c1 42202847 PLPFYWHLIXPQIJ-UHFFFAOYSA-N 276.383 3.770 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1C#N 47739924 QPDGUUFWXNWOLO-UHFFFAOYSA-N 289.382 3.842 30 20 CHED CCC[C@H](C)C(=O)N(CCC)Cc1ccc(C#N)cc1 48240306 ZZHHTIRJOJNAPQ-AWEZNQCLSA-N 272.392 3.733 30 20 CHED C[C@@H](NC(=O)C(C)(C)C#N)c1ccc(Cl)c(Cl)c1 49216070 KCLGNIZAKYKCBF-MRVPVSSYSA-N 285.174 3.720 30 20 CHED CN(Cc1csc2ccccc12)c1ncccc1C#N 52241203 FOOKTGLZTDPXLC-UHFFFAOYSA-N 279.368 3.804 30 20 CHED C=C(C)CN(CC)C(=O)COc1cc(C(C)C)ccc1C 58092651 YAKRFMIRHCBXST-UHFFFAOYSA-N 289.419 3.922 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccccc1F 65775833 YBWHXSZUBROMMO-UHFFFAOYSA-N 283.346 3.697 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccc2cn[nH]c12 69788300 XDPMQUQACMIEAW-UHFFFAOYSA-N 297.402 3.771 30 20 CHED N#Cc1cccc(-c2csc(C(=O)c3ccccc3)n2)c1 70092804 CTNAVEAZXCRUND-UHFFFAOYSA-N 290.347 3.913 30 20 CHED N#CCOc1ccc(CNCc2ccc(Cl)s2)cc1 70211838 RJHSLYNLIYDRSX-UHFFFAOYSA-N 292.791 3.594 30 20 CHED C=CCNC(=O)[C@@H](C)SCCCc1ccc(Cl)cc1 77416203 ADQXKYATPJFMRU-GFCCVEGCSA-N 297.851 3.697 30 20 CHED CS[C@@H]1CC[C@H](Nc2c(Cl)cccc2C#N)C1 78477472 MKEARTJXUZOMBM-WDEREUQCSA-N 266.797 3.908 30 20 CHED C=CCNc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 78607187 PVOGMZXPISRYEN-UHFFFAOYSA-N 296.370 3.936 30 20 CHED C[C@H](Cc1cccs1)N(C)Cc1ccc(C#N)cc1F 80834818 DLVLAXWBUWYQPI-GFCCVEGCSA-N 288.391 3.822 30 20 CHED CC(C)[C@@H](CNc1cnccc1C#N)Nc1ccccc1 91425419 VEFRGPOGERQWKN-MRXNPFEDSA-N 280.375 3.502 30 20 CHED C=CCCCCCN(C)Cc1ccc(N2CCCC2)nc1 93498007 CXZZBCKULCCPMK-UHFFFAOYSA-N 287.451 3.860 30 20 CHED N#Cc1csc(CN[C@H]2CCCc3sccc32)c1 93688004 MVZCUYWLXSVLFD-ZDUSSCGKSA-N 274.414 3.848 30 20 CHED CC(C)Oc1cccc([C@@H](C)Nc2cnccc2C#N)c1 94136853 FFGPMDXPNLBMRT-CYBMUJFWSA-N 281.359 3.914 30 20 CHED COCCOc1cccc(/C=C\C(=O)c2cccs2)c1 97179511 KDYNWWIDOGCYKC-FPLPWBNLSA-N 288.368 3.669 30 20 CHED COc1ccc(C(=O)/C=C\c2cccc(F)c2)cc1 97552364 QLGKAFGARVTNOQ-YHYXMXQVSA-N 256.276 3.730 30 20 CHED C=CCSc1nnc(COc2cc(C)ccc2C)o1 97603609 DSFTYWFWKPISOR-UHFFFAOYSA-N 276.361 3.544 30 20 CHED CCCCCCCC(=O)N(CCC#N)CC(C)C 103306071 HJFRFSJZXFATDK-UHFFFAOYSA-N 252.402 3.745 30 20 CHED CCC[C@H](C)CC(=O)N(CCC#N)CC(C)(C)C 104627914 WLEJFCKTXNSQLU-ZDUSSCGKSA-N 252.402 3.601 30 20 CHED N#Cc1cccc(CNCCCc2c[nH]c3ccccc23)c1 107714351 LXPZZAYLJPTCTL-UHFFFAOYSA-N 289.382 3.762 30 20 CHED CC(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 108241572 MDOIBSHHRSWBQP-LLVKDONJSA-N 262.378 3.533 30 20 CHED CSCc1cccc(NC(=O)c2ccc(C#N)cc2)c1 109233331 ULCYUSPDAMUZKV-UHFFFAOYSA-N 282.368 3.674 30 20 CHED C=CC1CCN(C(=O)c2sc(CC(C)C)nc2C)CC1 110362434 XPEAFLSLEJPJCV-UHFFFAOYSA-N 292.448 3.688 30 20 CHED CC(C)[C@@H](OC(=O)c1cccc(C#N)c1)c1ccccn1 113658319 MRDHIICSLZUEBO-MRXNPFEDSA-N 280.327 3.507 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(Nc2ccccc2)c1 114343949 ZAPUBJOECLIASP-UHFFFAOYSA-N 279.343 3.918 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 116931640 WYKKGYSTVQPKGS-VIFPVBQESA-N 272.270 3.792 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(-n2nc(C)cc2C)c1 117001614 YWDLFTRECFTQKG-GFCCVEGCSA-N 298.390 3.575 30 20 CHED C=CCC[C@@H](NCc1ccc(-n2ccnc2)cc1)C1CC1 120564481 ZKWIBIRXOYIHES-GOSISDBHSA-N 281.403 3.707 30 20 CHED CCc1ccc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)cc1 121435343 OAWAOQYCNFKCIN-KUHUBIRLSA-N 294.398 3.505 30 20 CHED N#Cc1cccn(CCCc2cccc3ccccc23)c1=O 123999871 JMPVAHSXZUMIQJ-UHFFFAOYSA-N 288.350 3.506 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)c1cc2cccc(F)c2o1 124996301 ILPOOOXZSARWOK-LBPRGKRZSA-N 275.279 3.667 30 20 CHED Cc1nc(-c2ccc(NC(=O)C3(C#N)CCC3)cc2)cs1 128572512 QZMGRXDBNSYUCR-UHFFFAOYSA-N 297.383 3.751 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)CCc2ccc(C#N)cc2)C1 129351064 AEIIEJLOARLRAV-RHSMWYFYSA-N 284.403 3.576 30 20 CHED C=CCC[C@H](NC(=O)CCCCOC)c1ccccc1 133723544 SFUYRRQSMQKSGA-INIZCTEOSA-N 275.392 3.627 30 20 CHED C=CCOc1ccc(OC(=O)CC2CCSCC2)cc1 135234136 RGTMUFPFMFIHAQ-UHFFFAOYSA-N 292.400 3.690 30 20 CHED CCCCCCC[C@H](C)NCc1cnn(C)c1C 136714643 BSFDRLADPUUOII-ZDUSSCGKSA-N 251.418 3.567 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1c(F)cc(C#N)cc1F 152265991 ZMKAILILKPJDQA-SNVBAGLBSA-N 294.345 3.781 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 152828986 FVNRMDXGNHDHJH-PWSUYJOCSA-N 292.329 3.535 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)CCC(C)(C)C 155215909 LXAIVWJTUUJCGO-UHFFFAOYSA-N 277.339 3.603 30 20 CHED CCN(Cc1csc(CCC(C)C)n1)C[C@@H](C)C#N 157646916 HITZUNVBHATHOT-ZDUSSCGKSA-N 279.453 3.713 30 20 CHED C#CCN(CC1CC1)C(=O)Nc1cccc2ccccc12 157762990 WFYMSOATMJWIME-UHFFFAOYSA-N 278.355 3.717 30 20 CHED C=C(C)CNC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 157766321 DLJGZZBWUKKZIE-UHFFFAOYSA-N 298.333 3.840 30 20 CHED N#Cc1ccccc1CSCCNCc1ccsc1 170670718 JXEXKNCNUZKGOF-UHFFFAOYSA-N 288.441 3.643 30 20 CHED CC1(C)CC[C@@H](NC(=O)NCCCCC#N)c2ccccc21 170885249 WRMXNPLCQVVHMU-MRXNPFEDSA-N 299.418 3.792 30 20 CHED N#CC1(NC(=O)c2cccc(C(F)F)c2)CCCCC1 171483704 WXHHFPSFQSOJEL-UHFFFAOYSA-N 278.302 3.580 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)NCCCCC#N)CC1 172184545 YIESOCLUHQQKTJ-CQSZACIVSA-N 279.428 3.538 30 20 CHED C=CCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 174713914 CZUVTLYBLFLKPV-SWLSCSKDSA-N 261.340 3.701 30 20 CHED C=CCCCC(=O)N(C)Cc1ccc(OC(F)F)cc1 175109358 QQTKQKFKMQFOOX-UHFFFAOYSA-N 283.318 3.603 30 20 CHED C[C@@H](OC(=O)CC[C@H]1CCCCO1)c1ccc(C#N)cc1 175802856 LLWFSFXVQSOSPF-CZUORRHYSA-N 287.359 3.512 30 20 CHED CCS[C@H](C(=O)O[C@H](C)c1ccc(C#N)cc1)C(C)C 175810059 LIOOUKSJSWUFAA-DOMZBBRYSA-N 291.416 3.940 30 20 CHED Cc1ccc(NC(=O)N(CCC#N)CCC(C)C)cc1 176336258 FCNSEAYMWZEWJH-UHFFFAOYSA-N 273.380 3.789 30 20 CHED Cc1cc(C[S@](=O)CCCC(C)(C)C#N)c(C)s1 178018234 ADKBPYKVHZAGSL-GOSISDBHSA-N 283.462 3.944 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(Cl)nc1 178331524 VSPVTLDHWCWTLA-UHFFFAOYSA-N 287.750 3.617 30 20 CHED C=CCC[C@H](NCCSC(F)(F)F)C1CC1 178678143 SWVDPWYOVRSCGV-JTQLQIEISA-N 253.333 3.574 30 20 CHED C=CCC[C@@H](NCc1ccc([C@H](C)O)cc1)C1CC1 178679151 MFUPJKRJXFELEC-SUMWQHHRSA-N 259.393 3.574 30 20 CHED CN(C(=O)[C@H]1CCCC(C)(C)C1)c1cccc(C#N)c1 179359979 BFHOTUIHDKXRCP-AWEZNQCLSA-N 270.376 3.737 30 20 CHED C=CCSCCN[C@H](C)c1cc(C)ccc1OC 180458410 GBLPCVPFGGFOHD-CYBMUJFWSA-N 265.422 3.573 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 180948446 XJXALLOUYUOYEU-KGLIPLIRSA-N 269.392 3.796 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)C1CC1 181096108 KBRURJQPFKOBEZ-OLZOCXBDSA-N 264.413 3.704 30 20 CHED C=C(C)CN(C)Cc1ccccc1OCC(F)(F)F 181323613 UZVNJIPKFDDCNK-UHFFFAOYSA-N 273.298 3.636 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2[nH]c(C)cc2c1 181699609 ILBCGFGTPOSGIH-UHFFFAOYSA-N 257.337 3.516 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1sc(C)cc1OC 182600895 YYUYAOKHAUOOFL-SNVBAGLBSA-N 267.394 3.540 30 20 CHED C=CCN(C(=O)[C@H]1CCO[C@H](CCC)C1)c1ccccc1 182851436 FDOTVXLRTQTCMP-DOTOQJQBSA-N 287.403 3.801 30 20 CHED C[C@H]1CC(C(=O)N(C)Cc2cccc(C#N)c2)C[C@H](C)C1 182936347 UUJSJZATUGQOCM-ZIAGYGMSSA-N 284.403 3.589 30 20 CHED C[C@H](C#N)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1 183822515 FAWYASVRAPHGEQ-SECBINFHSA-N 297.185 3.518 30 20 CHED C=C[C@@H](CC(=O)OCC1(C#N)CCC1)c1ccccc1 183900592 LYQPONRMUZWHIQ-AWEZNQCLSA-N 269.344 3.583 30 20 CHED C[C@H](NCCC[C@@H]1CCCCO1)c1cccc(C#N)c1 183993538 JTRGEAIARVTKFW-YOEHRIQHSA-N 272.392 3.558 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(OC(F)F)c(F)c2)C1 185727811 ASLRFNQMLDYLTB-ZJUUUORDSA-N 284.281 3.921 30 20 CHED CCc1ccccc1CC(=O)N(CC)c1ccc(C#N)cc1 187965801 BAVQPFIJIADNKO-UHFFFAOYSA-N 292.382 3.716 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 188296265 YERXLAIDJDSPSQ-VIFPVBQESA-N 287.190 3.882 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(C(C)C)c(Cl)c1 189650489 XSMUPEDNHBLJRQ-LBPRGKRZSA-N 278.783 3.885 30 20 CHED CC(C)C1(C)CCN(C(=O)c2cc(C#N)cs2)CC1 190309508 VEYBUGMEYKNWOU-UHFFFAOYSA-N 276.405 3.518 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCCCCCO)cc1 192932643 NXPCYUHJQJUJDP-AWEZNQCLSA-N 297.826 3.631 30 20 CHED CCCCCCCC(=O)N[C@@H](C)c1cccc(O)c1 192973605 CSHMIQJLIOBLJW-ZDUSSCGKSA-N 263.381 3.930 30 20 CHED Cc1cc(C(F)(F)F)ccc1/C=C/C(=O)c1ccnn1C 193054634 HNJUOLINNJXUDP-GQCTYLIASA-N 294.276 3.643 30 20 CHED C[C@H]1CC[C@@H](CNC2CC(C#N)(c3ccccc3)C2)C1 230410360 IJUBDWDBBKCFBP-WPAPPDIDSA-N 268.404 3.636 30 20 CHED CCCCCCCCCCN1CC[C@](C)(CN)C1 232933861 FQPQYASFPUETRP-MRXNPFEDSA-N 254.462 3.798 30 20 CHED C[C@H](C#N)Oc1ccc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1 248373318 HYCQNNPASQMFRF-QGWWYQLQSA-N 298.430 3.988 30 20 CHED COc1cccc(C=Nc2ccc3ncsc3c2)c1O 255109631 DHQYSZBLELHWPB-UHFFFAOYSA-N 284.340 3.761 30 20 CHED O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccncc1 255285443 AKHIIUHHVNJRHM-UTCJRWHESA-N 277.245 3.997 30 20 CHED Cc1nc(CON=Cc2ccc(Cl)cc2)cs1 255759658 ZOCZBQZEZANOHM-UHFFFAOYSA-N 266.753 3.656 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(C#N)cc1)C1CC1 264236269 YYJANFAQGLZEJA-QWHCGFSZSA-N 270.376 3.597 30 20 CHED COc1cccc(C2(N[C@H](C)c3cccc(C#N)c3)CC2)c1 272334324 YQCJLEAVZUFFLB-CQSZACIVSA-N 292.382 3.907 30 20 CHED COCC[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccco1 272482583 OOHDNOCTEWGIFT-AWEZNQCLSA-N 290.750 3.994 30 20 CHED C[C@H]1C[C@@H](NCCCC#N)c2cccc(Br)c21 273314792 XTPJYCHGHCHZOZ-GXFFZTMASA-N 293.208 3.891 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccncc2C)CCCC1(C)C 278195987 DUTPCUHNWSFGDM-HNNXBMFYSA-N 272.392 3.597 30 20 CHED C=C(C)[C@H](NC[C@@H]1CCSC1)c1ccc(F)c(F)c1 278881354 ZOCXFZFVDQZFPO-NHYWBVRUSA-N 283.387 3.925 30 20 CHED CN(CC1CCCC1)C(=O)c1ccc(C(C)(C)C#N)cc1 279671130 NHPPPIRQUHWWHI-UHFFFAOYSA-N 284.403 3.750 30 20 CHED C=CCCC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 279982761 IQYXEWDOSQGBTQ-MQMHXKEQSA-N 263.768 3.668 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)c1ccc(Cl)s1 281380934 NSMCINQAOAYPDV-UWVGGRQHSA-N 271.813 3.976 30 20 CHED CCOC1CC2(CCN(c3cc(Cl)ccc3C#N)C2)C1 286417069 POFLEERXEWOBST-UHFFFAOYSA-N 290.794 3.607 30 20 CHED CC(C)[C@@H]1N(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1(C)C 292753633 WZROWYLCJAWKSX-BBRMVZONSA-N 299.418 3.695 30 20 CHED C[C@@H](COCC(F)(F)F)Nc1cccc(Cl)c1C#N 295611572 VLDRESFWLBJDCW-QMMMGPOBSA-N 292.688 3.591 30 20 CHED Cc1sccc1CNc1ncccc1OCCCC#N 296012549 OZVMHLLSQHAMDH-UHFFFAOYSA-N 287.388 3.746 30 20 CHED CCC1(NC(=O)N[C@H](C)c2ccc(C#N)cc2)CCCC1 296449363 LMFMRZGYLZRRLZ-CYBMUJFWSA-N 285.391 3.641 30 20 CHED Cc1ccc(COC(=O)[C@]2(C#N)CC23CCCC3)cc1 297330119 STEUCUMXKKUPLV-QGZVFWFLSA-N 269.344 3.512 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 297574773 AHCKGDUCDQPWPZ-UHFFFAOYSA-N 299.330 3.684 30 20 CHED CC(C)[C@@H](NCCC#N)c1ccc(C(F)(F)F)cc1 298781503 DDVIEODKSBHYJE-CYBMUJFWSA-N 270.298 3.906 30 20 CHED C[C@@](O)(CNc1ccc(Cl)cc1C#N)c1ccccc1 301257077 FVLDBKVKGPHBLU-MRXNPFEDSA-N 286.762 3.531 30 20 CHED N#Cc1nc(N2CCC[C@H]2C2CCCC2)ccc1Cl 301530146 OZUFDWBMXZAHCY-AWEZNQCLSA-N 275.783 3.766 30 20 CHED CC(C)[C@H]1OCCC[C@@H]1CNc1c(F)cc(C#N)cc1F 301587349 PLHRIDGHEBHGEP-MLGOLLRUSA-N 294.345 3.700 30 20 CHED Cc1ccc2c(c1)CCN(c1c(C#N)cnc3ccccc13)C2 302709152 KBVOLOFGJIECKM-UHFFFAOYSA-N 299.377 3.978 30 20 CHED CC(C)C[C@@H]1CCCN(c2c(C#N)cccc2C#N)C1 302884135 LMUUTHLYBCCIHY-AWEZNQCLSA-N 267.376 3.692 30 20 CHED C=CCOC(=O)/C=C/c1cccc(OC2CCCC2)c1 303194835 NBDNCMRRNVXSOE-ZHACJKMWSA-N 272.344 3.750 30 20 CHED Cc1nc(N(C)[C@@H](C)C(C)(C)C)c(Cl)cc1C#N 311138063 SMRWLCWLZWCCOU-JTQLQIEISA-N 265.788 3.786 30 20 CHED CC1(C(O)=Nc2ncc(C3CCCCC3)s2)COC1 329293046 BBSLGWXERUXYDW-UHFFFAOYSA-N 280.393 3.815 30 20 CHED O/C(=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1conc1C1CC1 329523899 QCLJCLSILMYCEF-CYZMBNFOSA-N 274.364 3.825 30 20 CHED C[C@H]1CCC[C@H](CC(O)=Nc2nc3cccnc3[nH]2)C1 330270170 SZAKSOSAPVYVLH-QWRGUYRKSA-N 272.352 3.762 30 20 CHED C[C@H](C1CCCCC1)N(C)/C(O)=N/Cc1cccc(C#N)c1 330412573 LKIYSXSXAIHHIG-CQSZACIVSA-N 299.418 3.873 30 20 CHED CCO[C@@H](C)c1ncc(/C(O)=N/CC(C)(C)C)s1 330917320 LSBNALFASKTGIA-VIFPVBQESA-N 270.398 3.591 30 20 CHED COc1cc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)ccc1Cl 331212262 KBDMJZCGWCBBDE-VHSXEESVSA-N 282.771 3.863 30 20 CHED Cc1cc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1C#N 334583019 PLHSQSDAVACMOC-QGZVFWFLSA-N 294.402 3.544 30 20 CHED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)c2cccnc12 334607288 DYGZTIKVSHXTMN-STQMWFEESA-N 251.333 3.647 30 20 CHED N#Cc1ccc(-c2nc(C3CC(F)(F)C3)no2)cc1Cl 334910902 HBHPCOUDTJIKII-UHFFFAOYSA-N 295.676 3.774 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ncsc1C(C)C 335994217 GOPAMKVSLKOTRD-LLVKDONJSA-N 279.409 3.839 30 20 CHED CC[C@@H](NC(=O)c1cccc(C#N)c1C)c1ccccc1 337890178 HACNRJLCLBESSP-QGZVFWFLSA-N 278.355 3.748 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCC[C@@H](C)C1 337902901 RSKAMBNVOLSZMN-DOMZBBRYSA-N 270.376 3.517 30 20 CHED Cc1c(C(=O)N(CCC#N)CC(C)(C)C)ccn1C(C)C 339984301 ZPAHPTYHUSUNEH-UHFFFAOYSA-N 289.423 3.779 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C(C)=O)c(C)nc2C)n1 340831121 SULFBIFHQMZFED-UHFFFAOYSA-N 299.374 3.805 30 20 CHED CC(C)c1cnc(NC(=O)c2ccc(F)c(C#N)c2)s1 341400834 HXALUELZBALJJE-UHFFFAOYSA-N 289.335 3.530 30 20 CHED CC(C)(CCC#N)CNCc1cnc(C2CCC2)s1 342295878 JDOGAURZHIMKDE-UHFFFAOYSA-N 277.437 3.830 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(c2nccc(C#N)c2Cl)C1 342829315 DDKHWYVEIXNRFD-BXUZGUMPSA-N 298.777 3.589 30 20 CHED N#Cc1ccnc(N[C@@H]2C[C@@H]2c2ccc(Cl)c(F)c2)c1 343046023 PKENDIXPWYEMIA-BXUZGUMPSA-N 287.725 3.714 30 20 CHED Cc1cccnc1SCc1cn2ccccc2c1C#N 344584851 DGSLWCCFWDVORN-UHFFFAOYSA-N 279.368 3.807 30 20 CHED C[C@@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 345431271 ISGBTNIKXFPVNM-KOLCDFICSA-N 294.301 3.534 30 20 CHED C=C(C)CN(C)C(=O)c1cc(F)ccc1-c1ccoc1 348438976 FZCWMLCDBMYUJZ-UHFFFAOYSA-N 273.307 3.734 30 20 CHED CC(C)(CCC#N)CN1CCC=C(c2ccncc2)C1 348848694 ORWHIFSAOIISLS-UHFFFAOYSA-N 269.392 3.501 30 20 CHED N#Cc1cnccc1/C=C/c1ccc([N+](=O)[O-])cc1Cl 349113063 PRBZSCHZCQWQHJ-OWOJBTEDSA-N 285.690 3.685 30 20 CHED N#Cc1ccc(=N[C@@H]2CC=C(c3ccc(F)cc3)CC2)[nH]c1 349895133 PUQMZEXZPSZCRU-QGZVFWFLSA-N 293.345 3.562 30 20 CHED CSc1cccc(F)c1CNCc1cc(C#N)cs1 352923512 HNCMVGHZEYLHHJ-UHFFFAOYSA-N 292.404 3.771 30 20 CHED COc1c(CNCc2ccc(C#N)cc2)oc2ccccc12 353231387 JECBFDSKBVUOEM-UHFFFAOYSA-N 292.338 3.603 30 20 CHED CC(C)(CCC#N)CNC(=O)NCCCCC1CCCC1 353827916 PEVQWHQDEUXNAP-UHFFFAOYSA-N 293.455 3.976 30 20 CHED C[C@H](N(C)C(=O)C[C@@H](CC#N)c1ccccc1)C1(C)CC1 356368121 NGILPFZCIVEKSD-GOEBONIOSA-N 284.403 3.721 30 20 CHED N#Cc1ccc(SCCCc2ccncc2)c(F)c1 357737915 XVRWRHYSBQZDDX-UHFFFAOYSA-N 272.348 3.817 30 20 CHED C=CCC1(C(=O)NCC[C@@H](OC)C(CC)CC)CCC1 358200062 LTBWHUBQQMUMMV-OAHLLOKOSA-N 281.440 3.690 30 20 CHED CC(=O)c1ccc(C#N)c(N2CCCC3(CCC3)C2)c1 359737898 WDFHDTWWLROMFI-UHFFFAOYSA-N 268.360 3.531 30 20 CHED Cc1nc(NC[C@@H]2COc3ccccc32)c(Cl)cc1C#N 359953747 YMFBHGZCBIBWBP-GFCCVEGCSA-N 299.761 3.503 30 20 CHED C=CCC1(C(=O)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)CCC1 360323854 IXEBCFWQNAINAG-ABAIWWIYSA-N 289.350 3.510 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cccc(C#N)c1 361007348 FCGFKPLFPVBBMG-DOMZBBRYSA-N 270.376 3.503 30 20 CHED CC(C)(C#N)CC(=O)Nc1c2c(cc3c1CCC3)CCC2 362351335 BIEQAPSYULDHOV-UHFFFAOYSA-N 282.387 3.542 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1 367973853 QRYMPKJZYPPULQ-GUYCJALGSA-N 284.403 3.598 30 20 CHED C=CCC[C@H](NCCc1cn2c(n1)CCCC2)c1ccco1 373698132 CXDKDCBUTIKPDY-INIZCTEOSA-N 299.418 3.652 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)c1ccc(CC)cc1 410124786 XQPLTXJOMGMFFD-CJNGLKHVSA-N 259.393 3.823 30 20 CHED C=CC[C@H](CC)NC(=O)CC(C)(C)c1ccccc1 410140007 OTAZXNAQMZCLQC-HNNXBMFYSA-N 259.393 3.825 30 20 CHED C[C@H]1CCC[C@H](C(=O)N2CCCc3cc(C#N)ccc32)C1 411001861 NUSTXUAGWYHWCV-BBRMVZONSA-N 282.387 3.664 30 20 CHED COc1cc([C@H](C)NCCC2(C#N)CCCCC2)ccn1 411743570 SJEAGGKIHPJYNI-AWEZNQCLSA-N 287.407 3.605 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)CC(F)F 412113397 WZJVSAIMFVDVFD-LBPRGKRZSA-N 273.367 3.873 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCCS1 412810462 APWQINRQDSGHGU-JKSUJKDBSA-N 289.444 3.576 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc([C@H](C)C(=O)OC)cc1 412818749 VBBHHPLQJPVHBN-LBPRGKRZSA-N 289.375 3.504 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc([C@H]2CCC(=O)N2)c1 414312772 JUNMAPDELYYNMH-WOSRLPQWSA-N 272.392 3.650 30 20 CHED C[C@H](NCC1(CC#N)CC1)[C@@H]1C[C@H]1c1cccs1 417331854 MXMHRLKJNGQLAS-RWMBFGLXSA-N 260.406 3.524 30 20 CHED N#CC1(CSCc2ccn(-c3ccccc3)n2)CCC1 419397388 FFLJTPFNVOMYGI-UHFFFAOYSA-N 283.400 3.799 30 20 CHED CCC(CC)CN(CC)C(=O)NCc1ccc(C#N)s1 420888477 MQNBZSGMYANAPE-UHFFFAOYSA-N 293.436 3.587 30 20 CHED CC(C)(C#N)CCCCN1CCc2c(C#N)cccc21 420974115 OGQWXEHFWNOWQZ-UHFFFAOYSA-N 267.376 3.641 30 20 CHED C=CCC(C)(C)c1noc(C2(Oc3ccccc3)CC2)n1 421277559 VESKVDYBYZSLIX-UHFFFAOYSA-N 284.359 3.991 30 20 CHED CC(C)N(C(=O)CC(C)(C)C#N)[C@@H](C)c1ccsc1 421692376 PEDHHWKZXBOZKT-LBPRGKRZSA-N 278.421 3.986 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[C@@H]1C 424600287 NZBDXXBYXFIBEJ-JSGCOSHPSA-N 286.375 3.722 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCC[C@@H](C)C1 425128294 KAYUKRISNNUMIU-KEYYUXOJSA-N 284.403 3.904 30 20 CHED C=C[C@H]1CCCCN1Cc1nc(CCC)cs1 426564962 JTJLLOBOYXQRAZ-ZDUSSCGKSA-N 250.411 3.636 30 20 CHED N#CCC1(CNCc2cnc(C3CCCC3)s2)CC1 430024077 YUEALDUSAGLGHX-UHFFFAOYSA-N 275.421 3.584 30 20 CHED Cc1nc(N2CC(C)(C)[C@H]2C(C)C)c(Cl)cc1C#N 431507515 SZHWAHMAXSSPGQ-CYBMUJFWSA-N 277.799 3.786 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCCC1CCCCC1 432263064 FGOWUBCSSCIOGT-UHFFFAOYSA-N 285.391 3.959 30 20 CHED N#Cc1cc(NCc2ncccc2C(F)(F)F)ccc1F 432314100 UWLATHUWKFJKSG-UHFFFAOYSA-N 295.239 3.723 30 20 CHED N#Cc1nn(CCCCc2ccccc2)c2ccccc12 432458831 XAJBLPLCSCYUFN-UHFFFAOYSA-N 275.355 3.931 30 20 CHED CC1(C)CCCN(C(=O)c2cccn2C2CCCC2)[C@@H]1C#N 434449142 AVPQYAJALHTMEE-MRXNPFEDSA-N 299.418 3.758 30 20 CHED CC[C@@H](C#N)Sc1nccn1-c1cc(C)cc(C)c1 436051334 MESCACWGVKQNSF-AWEZNQCLSA-N 271.389 3.883 30 20 CHED C=CCOc1ccc(CN[C@@H]2CC[C@@H](C)C2)cc1OC 436404584 CCKXBEZPZPJBEP-UKRRQHHQSA-N 275.392 3.538 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc2ccccc2c1O 436742827 WYXBRKCUUYAHOD-UHFFFAOYSA-N 296.370 3.605 30 20 CHED COc1ccccc1[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccco1 442841728 ASHRDUGMLKYKAR-DEYYWGMASA-N 296.370 3.659 30 20 CHED COc1cc(-c2nc3cccc(Cl)c3[nH]2)ccc1C#N 443031474 WWCUMOZXKMBQME-UHFFFAOYSA-N 283.718 3.764 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccccc2OC)CCCC1(C)C 443855535 FSZILKMOQFKSDO-INIZCTEOSA-N 287.403 3.902 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1nc(C(C)C)c(C)s1 447549577 KQOVHPYNUZEQAW-LBPRGKRZSA-N 294.464 3.978 30 20 CHED COc1cc(CN(CCC#N)CC(C)(C)C)ccc1C 447747516 UMYGDFAAUGWWSZ-UHFFFAOYSA-N 274.408 3.765 30 20 CHED CCN(Cc1ccncc1F)[C@@H](C)c1ccc(C#N)cc1 449015477 STCXCULUZFXXNJ-ZDUSSCGKSA-N 283.350 3.675 30 20 CHED CC[C@@H](CC(C)C)C(=O)NCC(C)(C)CCC#N 451778353 SQYRWZUQONJFJP-ZDUSSCGKSA-N 252.402 3.505 30 20 CHED C=CCC(C)(C)CNC(=O)c1scnc1C(C)C 452137646 FSTXNIFJEXVAIC-UHFFFAOYSA-N 266.410 3.599 30 20 CHED C=CCC1(C(=O)N[C@H](CC)CNc2ccccc2)CCC1 452463964 RDSBJGZJZFKGCM-OAHLLOKOSA-N 286.419 3.740 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](CCC)C(C)(C)C)OCC 452664915 VZROXKRWDMNBRN-ZIAGYGMSSA-N 269.429 3.689 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 452771905 BYGIURNASWZMLQ-WDEREUQCSA-N 297.320 3.536 30 20 CHED C=CCC[C@@H](NC[C@@H]1CCOC2(CCC2)C1)C1CC1 453328185 WPSXEJVCJKXAND-GDBMZVCRSA-N 263.425 3.670 30 20 CHED C=CCCOCCNC(=O)Nc1cc(C)cc2ccccc12 455745750 SRWSMSGCEXVUCU-UHFFFAOYSA-N 298.386 3.862 30 20 CHED Cc1cc([C@@H](C)NC(=O)Nc2cccc(CC#N)c2)c(C)o1 455915340 HLMDSGPKCVRDLW-GFCCVEGCSA-N 297.358 3.845 30 20 CHED C=CCC1(NC(=O)[C@@H]2CC23CCSCC3)CCCCC1 456369989 QPNVFMPJVWGFPE-AWEZNQCLSA-N 293.476 3.915 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 456763132 ZMOCFLXGEFJVGK-HOCLYGCPSA-N 270.376 3.908 30 20 CHED CC(C)(C)CCCC(=O)NCc1ccc(C#N)c(F)c1 456845274 UAOLVWNTCSGDKF-UHFFFAOYSA-N 276.355 3.530 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)c1cc(C#N)ccc1Cl 457248512 HRQAFNPFFWZZRF-ZBEGNZNMSA-N 290.794 3.910 30 20 CHED C[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccccc1Cl 457441705 ATQHOIZTXZKMLK-LLVKDONJSA-N 293.798 3.640 30 20 CHED C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)C1CCC1 457482633 MSVZIDJJGXXRNB-ZDUSSCGKSA-N 286.375 3.744 30 20 CHED CC1(C)[C@@H](CNC(=O)C2(C#N)CCCC2)[C@@H]1c1ccccc1 458003035 XQLKTXMRRNMJOY-HOTGVXAUSA-N 296.414 3.626 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)NCC(C)(C)CC#N)C1CC1 459262981 WKVFVQKBKCLEEA-QWHCGFSZSA-N 279.428 3.535 30 20 CHED C=C(C)Cn1c(C)nnc1N(C)[C@@H](C)c1cc(C)ccc1C 460546632 VMCCVISMZARHAF-HNNXBMFYSA-N 298.434 3.977 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](CC)CC1 460936927 FWYYSLVPIKLMFZ-HNNXBMFYSA-N 290.455 3.994 30 20 CHED CCC1CCC(NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 461894639 OKDDMRCMOMPVHB-TUBUQKNSSA-N 284.403 3.747 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(-c2ccccc2F)no1 462828715 ZGERRIGIGPWYBG-LLVKDONJSA-N 293.301 3.899 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1c2ccccc2CCC[C@@H]1C 463279363 PLIKMWRXMDCZJV-WMLDXEAASA-N 286.419 3.918 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@@](C)(C#N)C(C)(C)C 464171687 WEJPBWCMOMYQIQ-LRDDRELGSA-N 264.413 3.647 30 20 CHED CC#CCCCC(=O)N(CC)c1cc(C)cc(C)c1 464442864 UEMYIDZHVFXFOL-UHFFFAOYSA-N 257.377 3.850 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC[C@H]2CC)c1 465154273 AAVASENWYMBULO-CJNGLKHVSA-N 288.391 3.952 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCc2ccccc2[C@@H]1C 466329608 ZQXRUFDXJAPWFI-ZFWWWQNUSA-N 272.392 3.670 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H](C)[C@H]1CCC 466380347 MYJZHQBDGCBXQP-SOUVJXGZSA-N 266.429 3.951 30 20 CHED COc1ccc([C@@H](C)CNCCc2cccc(C#N)c2)cc1 466426631 VUVFZYXTLWOXJE-HNNXBMFYSA-N 294.398 3.503 30 20 CHED C[C@H](CCNC(=O)c1ccc(CC#N)cc1)CC(C)(C)C 468076698 DUNHQYRGOGJRJP-CQSZACIVSA-N 286.419 3.945 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1cccc2c1CCCC2 468258950 DYWFBPBYLKKIMD-UHFFFAOYSA-N 294.329 3.828 30 20 CHED C=CCCCCNC(=O)N[C@H](C)c1c(F)cccc1F 472831416 GLHFEKAEHFZTIX-LLVKDONJSA-N 282.334 3.681 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OC(F)F)cc1 473493258 URDHLLVMNMTOGS-UHFFFAOYSA-N 284.306 3.766 30 20 CHED C=CCCCCNC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 474099032 WWTHPDKDJWRFAJ-RRFJBIMHSA-N 264.413 3.563 30 20 CHED C[C@H](Oc1ccc(-c2nnco2)cc1)c1ccc(C#N)cc1 478789141 QVWRKSVNQKXAAU-LBPRGKRZSA-N 291.310 3.748 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)[C@H](C)C1CCCCC1 480341552 JEJQQPGHCKEQBY-UONOGXRCSA-N 273.424 3.591 30 20 CHED C=CCN(CC1CCCCC1)C(=O)COC1CCCCC1 482732030 AFKVXMCKJRJTQF-UHFFFAOYSA-N 293.451 3.931 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)C1(C#N)CCCC1 487254017 KMDKLRROHKHNOD-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED CC(C)(C)c1nnc(SCc2cccc(F)c2C#N)o1 488251115 PCAQAEGXEYBOTP-UHFFFAOYSA-N 291.351 3.670 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(COCC)c1 488260173 CHLHERQKWJJSSD-INIZCTEOSA-N 288.391 3.796 30 20 CHED C=CCn1cccc1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 488554571 YSYSXSWEILWQCO-KDOFPFPSSA-N 286.419 3.715 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1cn(CC)c2ccccc12 488880649 NVWPEAJNZFCRPG-MRXNPFEDSA-N 296.414 3.771 30 20 CHED C=C[C@H]1CCCCN1Cc1csc(C(C)C)n1 489512761 OPOWFYJZLCXSOE-ZDUSSCGKSA-N 250.411 3.807 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(F)c1Cl 489861982 VYAZNMAQVKFZGC-UHFFFAOYSA-N 269.747 3.811 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccnn1C(CC)CC 489907768 MEBWTNFLUPUTRA-UHFFFAOYSA-N 277.412 3.576 30 20 CHED C#CCN(C(=O)N[C@@H](CC)c1ccncc1)C1CCCCC1 490697128 IXQLLANHWGOCBQ-KRWDZBQOSA-N 299.418 3.510 30 20 CHED COc1ccc(/C=C/C(=O)Nc2scc(C)c2C#N)cc1 493712443 WHNWLYNAAWRHKL-VMPITWQZSA-N 298.367 3.589 30 20 CHED CC(C)CC(CC(C)C)NC(=O)CC(C)(C)C#N 496110117 IPRIFTLQBIYIJQ-UHFFFAOYSA-N 252.402 3.503 30 20 CHED Cc1c(C#N)cccc1NCc1ccc(F)cc1F 500704771 WJARGAMHQVEVPK-UHFFFAOYSA-N 258.271 3.757 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@H](C(C)C)CC1 509447418 KVABQTIZUGEGND-HNNXBMFYSA-N 284.403 3.765 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C[C@H](C)C1CCCCC1 511647639 ZDJUXRVYYPRWDQ-KBPBESRZSA-N 264.413 3.601 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2CCc2ccccc2)c1 516961730 OOQMHJHLVQDNOF-QGZVFWFLSA-N 277.371 3.555 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(-c2ccc(C)cc2)c1C 517753846 LSMPPXYRIFDXTN-OAHLLOKOSA-N 297.402 3.574 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1ccc(C#N)cc1 517760398 NXRGHPMAIUWFRH-CQSZACIVSA-N 250.345 3.910 30 20 CHED CC(C)=CCN(Cc1ccc(C#N)cc1)CC(C)C 519908508 AYNVCWGCLPFCPU-UHFFFAOYSA-N 256.393 3.982 30 20 CHED Cc1nc(CNc2ccc(C#N)cc2F)nc2ccccc12 522617436 AEPTVNFRUKXBTD-UHFFFAOYSA-N 292.317 3.561 30 20 CHED CC(C)[C@@H]1CCCN(c2c(C#N)nnc3ccccc23)CC1 525356671 MPJITTAFIMWTGQ-CQSZACIVSA-N 294.402 3.764 30 20 CHED C[C@@H](SCc1nnc(C2CC2)o1)c1cccc(C#N)c1 527197614 DBAREZFXEGHDHJ-SNVBAGLBSA-N 285.372 3.813 30 20 CHED C=CCN1CCC(N[C@@H](c2cccc(C)c2)C(C)C)CC1 527860796 XYXOLIAZHKOLIL-LJQANCHMSA-N 286.463 3.932 30 20 CHED C=CCNc1ccccc1C(=O)N[C@@H](C)c1ccccc1 532302140 ZQMHWQJFBIEPPO-AWEZNQCLSA-N 280.371 3.776 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1coc(-c2ccccc2)n1 537224856 LTJRXVSURGXPSA-CYBMUJFWSA-N 284.359 3.816 30 20 CHED CC(C)(C)[C@@H](NCC1(C#N)CC1)c1cccc(F)c1 537292222 SOOQRAXFSUDGKF-AWEZNQCLSA-N 260.356 3.806 30 20 CHED Cc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)ccc1F 537407389 KCCHTFDJRQOJSF-LBPRGKRZSA-N 286.325 3.996 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@@H](C)C2(CCC2)C1 537825291 XXKQEWYKOFTHQX-OAHLLOKOSA-N 299.414 3.904 30 20 CHED C=CCn1c(SCC(=C)CC)nc2sccc2c1=O 538011037 AGPYIAZNWTUQQL-UHFFFAOYSA-N 292.429 3.702 30 20 CHED C[C@@H]1[C@H](Cc2ccccc2)CCN1CCC(C)(C)C#N 539570557 XUDGVILAJKNIJY-WBVHZDCISA-N 270.420 3.879 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc2c1ccn2C 540540564 ZCQUUKKGIIKFCM-ZDUSSCGKSA-N 270.376 3.653 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 541044716 BZNAXPGDJPVSTR-GXTWGEPZSA-N 290.794 3.847 30 20 CHED CC(C)(C)[C@H](NCc1ccc(F)cc1C#N)C(F)(F)F 541846587 BQNKWPFURMGJEG-LBPRGKRZSA-N 288.288 3.764 30 20 CHED C[C@H](Cc1ccsc1)N(CCC#N)Cc1ccco1 543058491 SLMUMUXJQAFPDB-CYBMUJFWSA-N 274.389 3.688 30 20 CHED C=CCN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 544413665 IUCTTYMNUFVOTO-NEPJUHHUSA-N 275.314 3.532 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 545876148 XESCBCACILIRCX-SOUVJXGZSA-N 292.810 3.850 30 20 CHED CC1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCCC1 548607957 JWYNHSIOTLHZQB-UHFFFAOYSA-N 276.767 3.522 30 20 CHED Cc1ccc(C)c(OCCN[C@@H](C)c2ccc(C#N)cc2)c1 549167342 ZLHHWJXQOQPADD-INIZCTEOSA-N 294.398 3.905 30 20 CHED CN(Cc1cccc2ccccc12)[C@H]1CC[C@@H](C#N)C1 555314728 NJYHONBOOVXFFC-PBHICJAKSA-N 264.372 3.964 30 20 CHED CN(C(=O)Cc1cccc(C#N)c1)[C@@H]1CCC[C@H]1C(C)(C)C 557069469 RWMCFWZRRZUOCL-IAGOWNOFSA-N 298.430 3.774 30 20 CHED Cc1ccc(-c2noc(/C=C\c3ccc(C#N)cc3)n2)o1 562556009 PKYQRFVMPHTBSV-CLFYSBASSA-N 277.283 3.680 30 20 CHED C[C@@H]1CCCC[C@@H]1OCCSc1cccnc1C#N 563412419 FACIMIHVACVEQC-OCCSQVGLSA-N 276.405 3.641 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CCC[C@H](N2CCCC2=O)C1 563444544 OJILSXZCIAVNFQ-ULQDDVLXSA-N 292.467 3.645 30 20 CHED N#Cc1cc(NC(=O)C23CCC(CC2)C3)nc2ccccc12 564250511 MHWQYTGPYJIJPF-UHFFFAOYSA-N 291.354 3.625 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)N2CCC(CC#N)CC2)C1 564296258 NNDDQCVGBHBQAD-DZKIICNBSA-N 291.439 3.536 30 20 CHED COc1cc([C@@H](C)N[C@H](CCC#N)c2ccccc2)ccn1 565217126 GSLRCWAINCKULP-RHSMWYFYSA-N 295.386 3.786 30 20 CHED C[C@@H](NC(=O)NCC1(C#N)CC1)c1cc2ccccc2s1 565944309 FDLFHFWLHWBWGF-LLVKDONJSA-N 299.399 3.565 30 20 CHED N#CC1(C(=O)N[C@H]2CCc3sc(Cl)cc32)CCCC1 567514454 YGVHSWLUMHFKFL-JTQLQIEISA-N 294.807 3.589 30 20 CHED C=C(C)C[C@H](C)C(=O)N(C)Cc1sccc1C 572620297 BGWXKGPDCMXQEY-LBPRGKRZSA-N 251.395 3.617 30 20 CHED C=C[C@H](CC(=O)N(CCC)C(C)C)c1ccccc1 576288715 BAHSGGRGLGZUIQ-OAHLLOKOSA-N 259.393 3.993 30 20 CHED C=CCN(C)C(=O)c1ccccc1Nc1ccc(C)cc1 580512403 WEUWXTMTRHXWNJ-UHFFFAOYSA-N 280.371 3.997 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1cc(CC#N)ccn1 582765931 ZWCJLSWWYWYAJW-CQSZACIVSA-N 273.380 3.549 30 20 CHED Cc1cc(SC[C@@H]2CCC[C@H](O)C2)ccc1C#N 582786147 WSFUDTPDYQJDHV-OCCSQVGLSA-N 261.390 3.510 30 20 CHED C=CCSCCN[C@H](Cc1ccccc1C)C1CC1 585764808 LOBWDIQZTNUUJL-QGZVFWFLSA-N 275.461 3.825 30 20 CHED C[C@@H](CCCC(F)(F)F)NC(=O)CCCCCC#N 588165286 TVBPEXDAYZTPGH-NSHDSACASA-N 278.318 3.698 30 20 CHED Cc1cccc(NC(=O)/C=C\c2ccccc2C#N)c1F 588385091 MKEFBVPCGMDMJB-KTKRTIGZSA-N 280.302 3.658 30 20 CHED C=CCNC(=O)C(CC)(CC)c1ccc(Cl)cc1 588630981 DTPWWGZLXRYXMS-UHFFFAOYSA-N 265.784 3.700 30 20 CHED CC(C)(C#N)c1ccc(-c2nc(C3CCC3)no2)cc1 589090346 PGQCPPFMIRWPKH-UHFFFAOYSA-N 267.332 3.805 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 593394490 KCAIHPSKPQEVKC-RISCZKNCSA-N 278.783 3.703 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccccc1COC(C)(C)CC 593605140 YALWMPMQGUDNCT-CYBMUJFWSA-N 288.391 3.880 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 593698219 IPSFTLCQTWLYCK-MAUKXSAKSA-N 284.403 3.507 30 20 CHED C[C@H](COCC1CC1)N[C@H]1CCCCc2cc(C#N)ccc21 593719726 PNNROVRQUHGQSI-KUHUBIRLSA-N 298.430 3.730 30 20 CHED Cc1nc(C)c([C@@H](C)NCCc2ccc(C#N)cc2)s1 595055218 BEAYWHYHCYPXKJ-LLVKDONJSA-N 285.416 3.525 30 20 CHED CC(C)(C)OC1CCN([C@@H](C#N)c2ccccc2)CC1 595345238 RHWNHLAAXJNITH-INIZCTEOSA-N 272.392 3.531 30 20 CHED N#CC[C@@H]1CCCN(Cc2cscc2Br)C1 595623365 OFQQFCRDBHSSCG-JTQLQIEISA-N 299.237 3.636 30 20 CHED CCO[C@H](CC)c1noc(CC2(C#N)CCCCC2)n1 596622183 VSNADCMLBRZPMH-GFCCVEGCSA-N 277.368 3.574 30 20 CHED N#CC[C@H]1CCCN(Cc2ccc3occc3c2)C1 597175592 BRYRXNJZZBJVAG-CYBMUJFWSA-N 254.333 3.558 30 20 CHED C=CC1CCN(C(=O)[C@H](C)c2ccc(CC)cc2)CC1 599680894 VTHDVNJXENHKTN-CQSZACIVSA-N 271.404 3.777 30 20 CHED CCSCc1ccnc(NC(=O)C(C#N)(CC)CC)c1 599720727 PCINLCKZWHDGGV-UHFFFAOYSA-N 291.420 3.603 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N(CC)CC 601769203 XVDVRDTVXLMECK-UHFFFAOYSA-N 252.402 3.517 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1CCCC[C@H]1C 609142968 HWCLCQPAEMVAQN-CVEARBPZSA-N 278.440 3.991 30 20 CHED CC(C)CN(CCc1ccc(F)cc1)CC1(C#N)CC1 611429324 RMGUJCVMTNSXGW-UHFFFAOYSA-N 274.383 3.630 30 20 CHED CC[C@@H]1c2ccccc2CCN1CCC(C)(C)C#N 611462634 XDJAAZVBIRYONN-MRXNPFEDSA-N 256.393 3.936 30 20 CHED CC1(C)CCC(CNC(=O)N2CCC[C@@](C)(C#N)C2)CC1 612149494 RLCNKDJWWCOHJU-KRWDZBQOSA-N 291.439 3.538 30 20 CHED Cc1ccccc1-c1cnc(CN2CCC[C@](C)(C#N)C2)o1 612160226 HGCWPEVLNZRYFS-GOSISDBHSA-N 295.386 3.776 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2cccc(Cl)c2Cl)C1 612235533 BLQURUNTEPRTFY-AWEZNQCLSA-N 297.185 3.759 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Cc2cccc3ccccc23)C1 612246096 WDJNWHVTFWOELB-IBGZPJMESA-N 292.382 3.535 30 20 CHED CC(C)(C)c1ccccc1C(=O)N1CCC[C@](C)(C#N)C1 612366251 PCPKGFFYCOPWQJ-GOSISDBHSA-N 284.403 3.750 30 20 CHED C[C@H](NC(=O)N1CC[C@H](C)C(C)(C)C1)c1cccc(C#N)c1 612771816 UVMPZTKWCNXHCL-KBPBESRZSA-N 299.418 3.697 30 20 CHED CC(C)C(C)(C)CNC(=O)c1cc2ccccc2n1CC#N 615050373 SPMVYFHUEMHYCU-UHFFFAOYSA-N 297.402 3.577 30 20 CHED C=CCN(CC=C)Cc1cccc(OCC(F)(F)F)c1 615454952 BUUUODUGDJDLOG-UHFFFAOYSA-N 285.309 3.802 30 20 CHED C=CC[C@H](C(=O)N[C@H](CC)C1CC1)c1ccccc1 618868117 KPIJFFZQSLHABN-JKSUJKDBSA-N 257.377 3.651 30 20 CHED C=C[C@@H](SCc1ccc(C(F)(F)F)cc1)C(=O)OC 619689337 HXPNDSJADJIZMU-LLVKDONJSA-N 290.306 3.666 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 620858534 IIXPXJLVKGGEKE-ZIAGYGMSSA-N 293.357 3.929 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H](c1nccn1C)C1CC1 639304105 XBBGCWINMHZPRF-VNQPRFMTSA-N 273.424 3.596 30 20 CHED C=CCC1(CNC(=O)c2c[nH]cc2C2CC2)CCCC1 640388745 IMBWEAIXLHUUOG-UHFFFAOYSA-N 272.392 3.758 30 20 CHED C=CCC(C)(C)c1noc([C@H]2Cc3ccccc32)n1 645623770 ULPXQLYMOPWWSZ-ZDUSSCGKSA-N 254.333 3.611 30 20 CHED C=CC[C@@H]1CCCN(Cc2cn(C)nc2C(C)(C)C)C1 668494126 WEQURRIMMLVRAI-CQSZACIVSA-N 275.440 3.506 30 20 CHED C=CCC1(N[C@H]2CC(C)(C)C[C@H]2C)CCOCC1 668551085 HRRNZOSYPALWQA-KGLIPLIRSA-N 251.414 3.526 30 20 CHED C=CCOCCN[C@H](c1ccc(Cl)cc1F)C(C)C 679770175 OSUXYMNRTILJCX-HNNXBMFYSA-N 285.790 3.968 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C)C1CCC1 681604105 LODXBUQNYDFCHX-GFCCVEGCSA-N 275.417 3.883 30 20 CHED Cc1ccc(NC(=S)N(CCC#N)CC2CC2)c(C)c1 728793886 WUOOZFAJLLNMNB-UHFFFAOYSA-N 287.432 3.626 30 20 CHED C=CC[C@@H](C)C(C)=NNCCCOc1ccccc1 729148668 BYUFBFDXFUQCRR-CQSZACIVSA-N 260.381 3.633 30 20 CHED O=C1/C(=C/c2cc(F)ccc2F)COc2ccc(F)cc21 731565301 KAQRKGXAWOXFHG-BJMVGYQFSA-N 290.240 3.763 30 20 CHED Cc1cc(F)ccc1/C=C1\COc2ccc(F)cc2C1=O 731565476 QLMPZUDYSUEGCA-KPKJPENVSA-N 286.277 3.932 30 20 CHED CCCCCCCCCCC(=O)N=c1cc[nH]cc1C#N 735438514 DRNUTTRFCCUNBP-UHFFFAOYSA-N 287.407 3.844 30 20 CHED C=CCCCOC(=O)[C@H](C)Cc1ccc(F)cc1 735533809 ZJRMYKVNLCSFQB-GFCCVEGCSA-N 250.313 3.514 30 20 CHED COc1cccc(/C=N/C2C[C@@H](C)C[C@@H](C)C2)c1O 739425930 HGOPPLVTZJYZAP-BOLWNAAJSA-N 261.365 3.644 30 20 CHED C[C@@H]1CC(NC(=O)/C=C\c2ccccc2C#N)C[C@H](C)C1 739653548 DRTJKMPQRHFOME-GXVPVZOKSA-N 282.387 3.512 30 20 CHED C[C@H]1CC(NC(=O)/C=C\c2ccccc2C#N)C[C@H](C)C1 739653551 DRTJKMPQRHFOME-JUBSNLHESA-N 282.387 3.512 30 20 CHED COc1ccc(CNCCCCc2ccccc2)cc1C#N 742366427 DTLAQFLKTBLYSX-UHFFFAOYSA-N 294.398 3.679 30 20 CHED N#Cc1ccc(C=NNc2ccccc2C(F)(F)F)o1 743417978 RYBWRVIPVYHZGY-UHFFFAOYSA-N 279.221 3.616 30 20 CHED CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(O)c1 743495396 FEGUQMLEXOMVAV-CYBMUJFWSA-N 296.370 3.513 30 20 CHED C=CCCC(=O)O[C@@H](C)C(=O)c1ccc(C(C)C)cc1 744919496 BUHGRTIENLRAJL-ZDUSSCGKSA-N 274.360 3.891 30 20 CHED CCc1ccc(CC(=O)OCc2cc(C#N)ccc2F)cc1 745115646 MWMGYCYIVQYNEZ-UHFFFAOYSA-N 297.329 3.546 30 20 CHED C#CCN(CC(=C)Br)[C@H]1CCc2ccccc21 747529467 SDPNMNUTZOVAIW-HNNXBMFYSA-N 290.204 3.518 30 20 CHED N#Cc1csc(/C=C2\Oc3c(Cl)cccc3C2=O)c1 748440078 FWWOQTMMNMPOSE-XGICHPGQSA-N 287.727 3.889 30 20 CHED C=CCCCC(=O)N1CCCSC1=Nc1ccccc1 748664240 CKLJGZNRERBZGP-UHFFFAOYSA-N 288.416 3.996 30 20 CHED Clc1ccc(C=NNc2nccc3sccc23)cn1 748786079 MKEIRCHYIHJQOM-UHFFFAOYSA-N 288.763 3.791 30 20 CHED N#CCOc1cccc(/C=C2/Cc3ccc(F)cc3C2=O)c1 749001057 FOFVUNLGZLPPTN-ZSOIEALJSA-N 293.297 3.550 30 20 CHED CC1(C)CCCC1=NNc1ncnc2sccc12 749860339 YIEIONIVPLNOKU-UHFFFAOYSA-N 260.366 3.669 30 20 CHED CC[C@@H](Oc1ccccc1C)C(=O)Oc1ccc(C#N)cc1 750150550 FZHVGOSQPWYQRD-MRXNPFEDSA-N 295.338 3.630 30 20 CHED Cc1ccc(C(=O)OCc2ccc(F)cc2C#N)c(F)c1 750425985 KHKMNALDDLUNDV-UHFFFAOYSA-N 287.265 3.502 30 20 CHED N#C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1 751177410 BURCTIBRVIUPIR-SFHVURJKSA-N 291.350 3.741 30 20 CHED C[C@H]1CC/C(=C\C(=O)N(CCC#N)c2ccc(F)cc2)C1 753612010 ZWEHEIWXUCTLRW-REQDGWNSSA-N 286.350 3.819 30 20 CHED C#CCCCNc1cncc(SCc2ccccc2)n1 754061379 KTRCRBPTEREFDW-UHFFFAOYSA-N 283.400 3.594 30 20 CHED C#CCCCCNC(=O)NCc1ccc(C2CCC2)cc1 755272046 WCYYAEKSGMSKCL-UHFFFAOYSA-N 284.403 3.557 30 20 CHED CC(CC1CC1)=NNc1ncnc2sc3c(c12)CCC3 756822779 AOUVURMCYLRMRR-UHFFFAOYSA-N 286.404 3.768 30 20 CHED C#CC[C@@H](NC(=O)N(CC1CC1)CC1CC1)c1ccccc1 757058678 RQMSKZGGTIOYJK-GOSISDBHSA-N 296.414 3.583 30 20 CHED C#CC[C@H](NC(=O)CCc1cccs1)c1ccccc1 757580974 VLSOHJXCHKKEJX-INIZCTEOSA-N 283.396 3.562 30 20 CHED COCCCON=Cc1cccc(OCc2ccccc2)c1 758762666 FYPMTJPPSPWQOL-UHFFFAOYSA-N 299.370 3.653 30 20 CHED CCc1c(C)sc(NC(=O)[C@H]2CC23CCC3)c1C#N 760151943 INUVULHKCTYBCA-GFCCVEGCSA-N 274.389 3.619 30 20 CHED C#CCCNc1ccccc1C(=O)N[C@@H](C)c1ccccc1 760290422 PHLTVVVBDHFXBL-HNNXBMFYSA-N 292.382 3.613 30 20 CHED Fc1cccc(F)c1NN=C[C@@H]1C[C@H]2CC[C@H]1C2 762421241 HXBIFUUXZSEETB-DCAQKATOSA-N 250.292 3.799 30 20 CHED C=CCN(CC1CCCCC1)C[C@H](O)c1ccc(C#N)cc1 763411708 ULMBBNTVOWNQQH-IBGZPJMESA-N 298.430 3.660 30 20 CHED CC1(C)CCCC1=NNCc1cnc2ccccc2c1 764775916 QUPMTVLVBGHKNO-UHFFFAOYSA-N 267.376 3.891 30 20 CHED CCCCCCCCNC(=O)C[C@@H](C)c1c(C)n[nH]c1C 765204017 OMORECOVMRGIRI-CYBMUJFWSA-N 293.455 3.997 30 20 CHED FC(F)(F)CON=C1CCC(C(F)(F)F)CC1 766025401 RBDXMHHAHIOEDQ-UHFFFAOYSA-N 263.181 3.674 30 20 CHED Cc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1C#N 766489754 GBQXPDYXXCSOSB-CHHVJCJISA-N 277.298 3.828 30 20 CHED COc1cc(OC(=O)CCCC2CCCC2)ccc1C#N 767154018 LOFVHIGSCXRRKX-UHFFFAOYSA-N 287.359 3.833 30 20 CHED C#C[C@@H](C)N(C)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 767263534 UMKIUNOSOLBKKE-HUUCEWRRSA-N 271.404 3.784 30 20 CHED COc1ccc(CCNN=C2CC[C@H](C)[C@H](C)C2)cc1 767377989 CXCGOBIYRFIKDJ-UONOGXRCSA-N 274.408 3.639 30 20 CHED CCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(C)=O 769658266 YIDZQUPGSAFXPI-KRWDZBQOSA-N 289.419 3.663 30 20 CHED c1ccc([C@@H]2CCC2=NNc2ccc3[nH]ncc3c2)cc1 769798973 PDLADHJLSVROFO-HNNXBMFYSA-N 276.343 3.908 30 20 CHED C[C@@H](C#N)CNN=C1CCCc2c1sc1ccccc21 771100677 VHLPWJQAPGMDLS-NSHDSACASA-N 283.400 3.691 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1sccc1O 771746279 ZBDIAJQLOPBLFX-WAYWQWQTSA-N 296.294 3.951 30 20 CHED Cc1cc(-c2ccccc2)ccc1NC(=O)CC#N 772134737 XXQDAHHAGVAZSN-UHFFFAOYSA-N 250.301 3.514 30 20 CHED Cc1cc(/C=C\C(=O)c2sccc2O)cnc1Cl 773144101 XLAYZRKELCHAJV-IHWYPQMZSA-N 279.748 3.707 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1cc2ccccc2o1 773158620 CNPQQYWCUFTFST-OQLLNIDSSA-N 286.290 3.797 30 20 CHED CC[C@H](N[C@H](C)C[C@H](O)c1ccco1)c1ccc(C#N)cc1 774222676 FRQSJWRWHLGEKS-COXVUDFISA-N 298.386 3.704 30 20 CHED CSc1cccc(N=Cc2ccc(O)c(O)c2O)c1C 774541089 JNCWDBXFQCPSDV-UHFFFAOYSA-N 289.356 3.584 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2F)Cc2ccccc21 774545773 GCCGMSLJCAHWNM-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CC(C)Sc1ccccc1C(=O)OCC1(C#N)CC1 775828419 NAVDLSACBCRPJR-UHFFFAOYSA-N 275.373 3.648 30 20 CHED CCCCNN=Cc1ccc(Oc2ccccc2)o1 779773488 PVAULQPTSOYFRZ-UHFFFAOYSA-N 258.321 3.796 30 20 CHED CCCCC[C@H](C(=O)NCC(C)(C)C#N)C(C)C 782102181 XGBSVIINIRCYQK-ZDUSSCGKSA-N 252.402 3.505 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cc(C(=O)O)cs2)c1 782199458 DTOBIMAUMMNLGH-AATRIKPKSA-N 286.352 3.959 30 20 CHED N#Cc1ccc(COC(=O)/C=C/c2ccccc2)c(Cl)c1 784186969 LWTZAHPZHJFHPI-VQHVLOKHSA-N 297.741 3.968 30 20 CHED O=C(/C=C/c1c[nH]nc1-c1ccccc1F)c1cncs1 787171678 NTXAGMHYLNXKGI-AATRIKPKSA-N 299.330 3.568 30 20 CHED C[C@@H]1CCCCC1=NNc1nnc(-c2ccccn2)s1 788028717 QBRWRIZNRWBPHS-SNVBAGLBSA-N 287.392 3.578 30 20 CHED C#CCC1(C(=O)Oc2c(F)cccc2F)CCCCC1 788430350 IYBRSIOROWDGBQ-UHFFFAOYSA-N 278.298 3.844 30 20 CHED Cc1cccc(C(=O)/C=C\c2cn3cc(C)ccc3n2)c1 789130452 OPZCSUCJALJQOU-FPLPWBNLSA-N 276.339 3.847 30 20 CHED CC(CCc1ccc2c(c1)OCO2)=NNc1ncccc1C 790193079 RLFRGZBJRHZQEB-UHFFFAOYSA-N 297.358 3.539 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](C)c1cc2ccccc2o1 791040895 ATYAYWVPCIEGII-OCCSQVGLSA-N 284.359 3.595 30 20 CHED CC1(C)CCC[C@@H]1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 792099412 AEUZWIOFYNGCMI-QWHCGFSZSA-N 293.370 3.632 30 20 CHED C[C@H](NN=Cc1c[nH]c2ccc(F)cc12)C(C)(C)C 793117488 XIRFEWLYOXHWFD-JTQLQIEISA-N 261.344 3.665 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)C[C@@H]1CCOC1 793531796 JKUBDWSZLVONOD-XHSDSOJGSA-N 253.430 3.916 30 20 CHED C=CC[C@@H](NCc1cnc(C(C)(C)C)nc1)c1ccncc1 793584456 QGFQUXOXVXWUSM-MRXNPFEDSA-N 296.418 3.576 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCCC[C@@H]1CC 793829172 GIVNIIUJTWQAFS-STQMWFEESA-N 289.341 3.617 30 20 CHED CC[C@H](C)[C@@H](C(=O)OCCCC#N)c1ccccc1 794005240 VOLAXMOKQMYFKX-DZGCQCFKSA-N 259.349 3.663 30 20 CHED CC(=NNC1CCOCC1)[C@H](C)c1ccc(Cl)cc1 794516032 HAKQYUSZIQBCHW-NSHDSACASA-N 280.799 3.588 30 20 CHED CC(=NN=C1CCC(C)(C)c2ccccc21)c1cnccn1 794851837 RIANVZTXFFILQJ-UHFFFAOYSA-N 292.386 3.761 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C\c1ccccc1C)C2 794960879 IYBLZJRGHBPIKW-NVNXTCNLSA-N 294.350 3.835 30 20 CHED COCCCON=C(C)c1ccc(-c2ccncc2)cc1 795047940 CNFVCELQQSGEPE-UHFFFAOYSA-N 284.359 3.526 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H](O)c1cc(C)cc(C)c1 800992850 UILQDVYAXCPTLM-YQQAZPJKSA-N 261.409 3.527 30 20 CHED CC#CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 801142650 KBSMERCOXNJYSZ-AWEZNQCLSA-N 283.396 3.861 30 20 CHED C=CCN(C[C@@H](OC)c1ccc(Cl)cc1)C(C)C 801511048 NERUONNAKCHSES-OAHLLOKOSA-N 267.800 3.924 30 20 CHED C=CCOc1ccc(CNC(=O)/C=C/c2cccs2)cc1 803378217 NQXSBKFNYOHUKK-MDZDMXLPSA-N 299.395 3.643 30 20 CHED C[C@H]1CN(c2nc(Cl)c(C#N)s2)Cc2ccccc21 804327318 NWBOZYOGKQMDLL-VIFPVBQESA-N 289.791 3.792 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)Cc2nc(Cl)ccc21 806578405 RTBJCLICHOZHSG-TWGQIWQCSA-N 291.684 3.836 30 20 CHED CCSCC(=NOCC(C)C)c1ccccc1 807978709 AZAOLGPTRNLAIZ-UHFFFAOYSA-N 251.395 3.816 30 20 CHED Cc1cc(Cl)cc([C@H](C)NCCCCC#N)c1O 808693243 YBYYSMPPCQKNIP-NSHDSACASA-N 266.772 3.699 30 20 CHED C#CCOc1ccccc1-c1noc(-c2c(C)coc2C)n1 809395055 ARTHTGRDTTTZNU-UHFFFAOYSA-N 294.310 3.625 30 20 CHED C=CCCCCCCCNC(=O)c1scnc1C 810768451 NCHHTGHEATUNIL-UHFFFAOYSA-N 266.410 3.708 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCCCCC(=O)C1)c1ccc(C#N)cc1 811386111 NHMAIZKGQCRZBV-CZUORRHYSA-N 299.370 3.702 30 20 CHED CC(C)CCC(=NNC[C@H]1CCSC1)C1CC1 811659230 UPTGTBKZSFJIII-GFCCVEGCSA-N 254.443 3.531 30 20 CHED CC(=NNC[C@H]1CCSC1)[C@H](C)c1ccccc1 811660182 IMGBHUUYZFZBPH-GXTWGEPZSA-N 262.422 3.509 30 20 CHED Cc1ccccc1/C=C1/Cc2ccc(C#N)cc2C1=O 811695384 FHCCREYBWGDHDV-SXGWCWSVSA-N 259.308 3.689 30 20 CHED CC(=NOC1CCC1)c1ccc(Cl)c(Cl)c1O 812236414 LYKSYCNIPABCLM-UHFFFAOYSA-N 274.147 3.992 30 20 CHED CCCCCCCOC(=O)c1oc(CC)nc1C 814513368 KUEMICMGOZJELR-UHFFFAOYSA-N 253.342 3.673 30 20 CHED CCCC(=NNc1cc(F)cc(OC)c1)c1ccccn1 814870472 DCQOMQOMYDONIJ-UHFFFAOYSA-N 287.338 3.846 30 20 CHED CCc1nocc1C=NOCc1ccc(C(F)(F)F)cc1 814882883 ZSMQZSGIVXXXAF-UHFFFAOYSA-N 298.264 3.807 30 20 CHED COCCCON=C(C)c1nc(-c2ccccc2)cs1 814931148 KORANTDKRGLJQE-UHFFFAOYSA-N 290.388 3.587 30 20 CHED Cc1ccc2snc(C(=O)OCCC(C)(C)C#N)c2c1 815506429 XHCQTOSQORNVQV-UHFFFAOYSA-N 288.372 3.701 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C(C)(C)C)ccc1O 815850569 RNURQCIEZSLQGV-UHFFFAOYSA-N 283.318 3.840 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@@H]2CCC[C@@H](C)C2)nc1 818801899 HJTVQBQQXPVMRS-NVXWUHKLSA-N 298.430 3.884 30 20 CHED CCCCCC[C@H](CC)C(=O)N[C@@H]1CC[C@H](C#N)C1 819632095 OVDMQYQKLGIOSC-SOUVJXGZSA-N 264.413 3.791 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H]1CSc2ccccc21 820905913 ZIYRWEHVDIBWTH-OLZOCXBDSA-N 275.417 3.594 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCCC23CCC3)c1 823949880 XQZDQXDNITVHPM-HNNXBMFYSA-N 258.340 3.510 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1cc(SC)ccc1Cl 824473908 GCDDLUONVPDSDW-VIFPVBQESA-N 282.796 3.595 30 20 CHED C[C@@]1(CCNCc2cc(C#N)cs2)CC1(Cl)Cl 824971680 WRGVRFUVMPMZDE-LLVKDONJSA-N 289.231 3.683 30 20 CHED C=C(Cl)CNC(=O)C1(Cc2cccc(Cl)c2)CC1 826077047 VATQEHAMBLLEPX-UHFFFAOYSA-N 284.186 3.531 30 20 CHED C=CCC[C@@H](C)OC(=O)C[C@]1(C)CC1(Cl)Cl 835266687 BVWMURVEMLOUNL-MWLCHTKSSA-N 265.180 3.858 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)CCCc1cccnc1 835929402 BCPMZKFAFOWYMJ-CYBMUJFWSA-N 261.365 3.548 30 20 CHED CCCN(C(=O)c1ccc(C#N)cn1)c1ccc(CC)cc1 836851037 WUJDXUAYOWTZAC-UHFFFAOYSA-N 293.370 3.572 30 20 CHED CCCCCC[C@@H](C)NC(=O)N(C)CC(C)(C)C#N 837324511 AEMGGCGPDHFCSD-CYBMUJFWSA-N 267.417 3.536 30 20 CHED CC1(C)CCC[C@H]1OC(=O)[C@]1(C#N)CC12CCCC2 837903660 WTMRKIINQZWYSO-MLGOLLRUSA-N 261.365 3.582 30 20 CHED CCc1sc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1C 839044953 WLMOIIFJJMZBBP-VXGBXAGGSA-N 277.389 3.858 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(OCC3CC3)cc2)C1 839051414 XHGQLBZUDCNQGQ-PBHICJAKSA-N 299.370 3.715 30 20 CHED CCc1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)s1 839053345 DCGAAOGASCHFTD-WDEREUQCSA-N 263.362 3.550 30 20 CHED C=C(C)COC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 839163032 MQFYTPQIWDXQSY-RBSFLKMASA-N 268.397 3.583 30 20 CHED CCC(=CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CC 841368139 DVCWVQQVOBGNNU-QGZVFWFLSA-N 282.387 3.798 30 20 CHED N#CC1(CSCc2cccc(Br)n2)CCC1 842193710 ZWLAUTLBGSOVTP-UHFFFAOYSA-N 297.221 3.771 30 20 CHED C#C[C@@H](OC(=O)c1cnc(C(C)C)s1)c1ccccc1 842390836 DDVOVGNFEHAGLY-CYBMUJFWSA-N 285.368 3.798 30 20 CHED C=CC[C@@H](NC(=O)/C=C\C1CCCC1)c1ccncc1 843550054 XOBXERIKLFEQDW-HLRDLLSLSA-N 270.376 3.561 30 20 CHED N#C[C@H](C(=O)CC1C2CC3CC(C2)CC1C3)c1ccccn1 845441841 VHEGAFPAQXFZLG-GPHONZHMSA-N 294.398 3.720 30 20 CHED C=C[C@H](C)ONC(=O)/C=C(/C)c1ccccc1C(F)(F)F 846545257 FTCDJQAURQTNLS-JUDLJHIGSA-N 299.292 3.731 30 20 CHED CCSCCSCCc1ccc(C#N)cc1 849892712 SFEHLELJKUYKNK-UHFFFAOYSA-N 251.420 3.587 30 20 CHED N#Cc1cccc(COC(=O)C2CCC3(CC2)CC3)c1F 850267379 XSPJCEUTQFXOLT-UHFFFAOYSA-N 287.334 3.711 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(SC(F)(F)F)c1 861654937 VIVMQLRTTCGYQR-QMMMGPOBSA-N 290.310 3.995 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(OC(C)(C)C)c2)cnn1C 865221149 CYJVHLDYCLDLLC-MDZDMXLPSA-N 298.386 3.802 30 20 CHED C[C@H](Cn1cc(C#N)c(=O)c2ccccc21)C(C)(C)C 865354990 DJWRCKTZJBRSPO-GFCCVEGCSA-N 268.360 3.555 30 20 CHED CCCCCCCC(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C 866461853 YZXUBMCTFUZXFX-GJZGRUSLSA-N 297.439 3.680 30 20 CHED COC1CCC(=NNc2nc3c(C)cccc3s2)CC1 872419310 DLEAJNGFDRSQRO-UHFFFAOYSA-N 289.404 3.962 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)Cc1ccccc1Cl 876933507 REZPADOCMUFPFJ-QWHCGFSZSA-N 264.800 3.800 30 20 CHED C=CC(C)(C)CC(=O)N1CCC2(CC1)OCc1ccccc12 879157547 JUYIDKUZXIWMIK-UHFFFAOYSA-N 299.414 3.637 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@@H](CF)C1)c1ccccc1 881675839 ZYEMIFIAUQJSID-GOEBONIOSA-N 275.367 3.554 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2c2cc(C#N)nc(C)n2)c1 882095490 MMRKTLJEFBFSFD-KRWDZBQOSA-N 292.386 3.615 30 20 CHED C=C1CCC(C(=O)OCc2ncc(C(C)(C)C)o2)CC1 885651750 DYZVWNQEJULZNV-UHFFFAOYSA-N 277.364 3.762 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1nc2ccccc2s1 887875455 QWDVPUIMZGVPTC-UHFFFAOYSA-N 274.389 3.861 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@H](C(F)(F)F)C1)c1ccccc1 888015300 IMKLRYYDYWGTLS-JSGCOSHPSA-N 297.320 3.757 30 20 CHED C=CCCCC[C@H](C)N[C@H](C(=O)O)c1ccc(F)c(C)c1 901841389 FICZOAYLBFCKQR-BBRMVZONSA-N 293.382 3.984 30 20 CHED COc1cc(Cl)ccc1[C@H](C)NCC1(C#N)CCC1 903035382 NSHKRIFSGWKJQF-NSHDSACASA-N 278.783 3.693 30 20 CHED CC(=NNc1ccc(Cl)cc1C)c1cnc(C)nc1C 905511220 KVVZRGFOPJWDSF-UHFFFAOYSA-N 288.782 3.891 30 20 CHED N#CC1(CCCCOC(=O)c2ccc(C=O)cc2)CCC1 908823892 YXVHDCKPNPHTOD-UHFFFAOYSA-N 285.343 3.520 30 20 CHED N#CC1(CCCCOC(=O)c2ccnc(C3CC3)c2)CCC1 909155486 DHRXPQVGELOCDW-UHFFFAOYSA-N 298.386 3.980 30 20 CHED CC(C)CN(C(=O)/C=C\c1ccco1)c1ccc(C#N)cc1 914510656 RYPCHVVWXWFYDY-KTKRTIGZSA-N 294.354 3.854 30 20 CHED C[C@@H](C=NNc1nncc2ccccc12)c1ccccc1 915909967 XIQZYCMPVURBDE-ZDUSSCGKSA-N 276.343 3.831 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(F)ccc1F 915958527 JDZNXHZMOLJDGD-UHFFFAOYSA-N 285.297 3.759 30 20 CHED COc1cccc(O)c1/C=N\CCc1ccc(Cl)s1 915983244 UUXGYJUBAWNIRJ-SXGWCWSVSA-N 295.791 3.777 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])C1CCCCC1 916249963 GQYNHXKNVFFULG-UHFFFAOYSA-N 261.325 3.963 30 20 CHED Cc1ccc(C)c(NN=Cc2cccc([N+](=O)[O-])c2)c1 916345608 IQUQUAGTQPDELP-UHFFFAOYSA-N 269.304 3.658 30 20 CHED Cc1cc(C=NNc2ccc(C(F)(F)F)cn2)c(C)o1 916662374 DTEFOCATCPPXGD-UHFFFAOYSA-N 283.253 3.756 30 20 CHED CCCCCCCNC(=O)Nc1ccc(F)cc1C#N 916987565 LHQAJIVTHGUAEE-UHFFFAOYSA-N 277.343 3.789 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)c1ccc(C)cc1 917559585 PYVLGGRLSAJLQM-FHXOWUIVSA-N 269.344 3.889 30 20 CHED C#CCN(CC)C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 919899932 ANRAVVVNWGZKMB-QGZVFWFLSA-N 286.419 3.611 30 20 CHED COc1ccc(C(C)=NNc2cccc(F)c2)cc1F 920384570 XRRLQXZJBFRCCN-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CCC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccccn1 924946326 NAGIFFYRDFEKDN-HIFRSBDPSA-N 259.397 3.841 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCc2ccccc21 929742707 ABCWCWYLNYHIML-CZUORRHYSA-N 257.377 3.735 30 20 CHED C#Cc1ccc(NC(=O)NC2(C)CCC(F)(F)CC2)cc1 934922122 LRTBBKGCBSMVBZ-UHFFFAOYSA-N 292.329 3.757 30 20 CHED C#CCN(CC)C(=O)c1nc(-c2ccccc2)oc1C(C)C 1115893180 MCAIVZVKBQLSSS-UHFFFAOYSA-N 296.370 3.560 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H](c1ccccc1)C1CC1 1116266850 RHAATWGIPUORJJ-FQEVSTJZSA-N 289.378 3.696 30 20 CHED C=C(C)CCC(=O)Nc1ccc(Cl)c(CN(C)C)c1 1120647156 HUTWSVWBOJTQIO-UHFFFAOYSA-N 280.799 3.696 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CCCC(C)=O)c1cccs1 1123010154 PAAPIBBSLDITOZ-IUODEOHRSA-N 293.388 3.641 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1129724239 GLRKOSYUQYGSGH-YJNKXOJESA-N 263.381 3.828 30 20 CHED N#CC[C@@H](C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1ccccc1 1129887219 PLOCQTWRXMJKKB-RCCFBDPRSA-N 296.414 3.769 30 20 CHED Cc1cc(C)cc(C2CCN(c3ccnc(C#N)c3)CC2)c1 1164303603 VJPMLGUSYPUNJA-UHFFFAOYSA-N 291.398 3.954 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)Nc2ncc(C#N)cc2F)C1 1186713198 KBHUDHPHZORDJA-GVXVVHGQSA-N 261.344 3.719 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc([C@@H](C)CC)cc1 1253563034 JVHJNMSJYWLFQL-AWEZNQCLSA-N 269.388 3.686 30 20 CHED Cc1ccc(NC(=O)N[C@H](C)CC#N)c(Cl)c1Cl 1255184335 MLJQNQIRCCGNRS-MRVPVSSYSA-N 286.162 3.726 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCCOc2cc(F)ccc21 1262618130 MVMNMTFGKHYYOQ-AWEZNQCLSA-N 277.339 3.512 30 20 CHED CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccncc1 1262784499 PKNPICYRIODBBN-JKSUJKDBSA-N 274.408 3.662 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1F 1275426411 XFELOROLIYBBLE-GFCCVEGCSA-N 274.339 3.852 30 20 CHED CC(C)(C)ON=Cc1ccc(OCc2ccncc2)cc1 1319802474 FZQTYSUNKIEXSD-UHFFFAOYSA-N 284.359 3.810 30 20 CHED CCOc1ccc(/C=C/c2cc(C#N)ccn2)cc1OC 1321824663 GUKPTGXLLMOOTO-GQCTYLIASA-N 280.327 3.531 30 20 CHED C[C@H]1CCC[C@@H](c2nnc(COc3ccccc3C#N)o2)C1 1322139794 YQRBRAYTDWVYAI-QWHCGFSZSA-N 297.358 3.814 30 20 CHED CC#CCN(C)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 1324511881 UWWHIYSEMFREHG-UHFFFAOYSA-N 283.415 3.713 30 20 CHED COc1cc(C)nc(CSCc2ccccc2C#N)c1 1324957852 IYYCEUPDGFJCLU-UHFFFAOYSA-N 284.384 3.704 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccccc1C1CC1 1327722276 QEUOGHGHNKOUNE-INIZCTEOSA-N 257.333 3.547 30 20 CHED CCOc1cccc(/C=N\[C@H](C)c2ncccc2C)c1O 1337620443 BGPNRZYXYDBPHB-LPXFMOJISA-N 284.359 3.674 30 20 CHED C#C[C@H](CC)NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1338999554 WCVAJCLAUOAJIH-MRXNPFEDSA-N 283.415 3.544 30 20 CHED Cc1ccc([C@@H](C)NC(=O)CC#Cc2ccccc2)cc1 1340363762 LQQWFLRFUHNKEX-MRXNPFEDSA-N 277.367 3.614 30 20 CHED Cc1nc(N2CCCCC2)sc1C=NOC/C=C\Cl 1343573374 YTMGHIVMCUHTAU-DFMZKTILSA-N 299.827 3.545 30 20 CHED COC1(C(=O)O[C@@H](CC#N)c2ccco2)CCCCCC1 1350312682 WCXAIFFXCYXXAB-AWEZNQCLSA-N 291.347 3.517 30 20 CHED Cc1cc(C#N)nc(N[C@H](c2ncc(C)s2)C2CC2)c1 1351975142 OXMVZDNHDQEDMS-AWEZNQCLSA-N 284.388 3.590 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)[C@H](CC#N)c1ccccc1 1353600793 MVPZZDPWALOUSW-WTTBNOFXSA-N 284.403 3.625 30 20 CHED C[C@H]1CC[C@H](C(=O)OCc2cc(C#N)ccc2F)CC1 1457387663 RBFVZQROOBHKKC-AULYBMBSSA-N 275.323 3.567 30 20 CHED CCC(CC)CN(CCC#N)CCN1C[C@H](C)C[C@@H](C)C1 1459611970 VALDHAQFDGJODW-IAGOWNOFSA-N 293.499 3.616 30 20 CHED C=C(Cl)CN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 1459779021 ULRMOZOWJLHIKX-QWRGUYRKSA-N 253.748 3.886 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cccc(C#N)c1 1528904513 XJKKIDSFRJBBGP-FHLIZLRMSA-N 298.430 3.996 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1cc(F)cc(C#N)c1 1544396744 GHCZWAZZTAABMG-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED COc1ccccc1CCCN1CCc2ccc(C#N)cc21 1559720824 VCRLKALWLSSZPP-UHFFFAOYSA-N 292.382 3.562 30 20 CHED CCCCCCCCCN(C)C(=O)[C@]1(C(=O)O)CC1(C)C 1589645308 UUSLSCRSLASDDU-KRWDZBQOSA-N 297.439 3.696 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 1596855650 IBGWIYRSFBWMMU-HOTGVXAUSA-N 298.292 3.579 30 20 CHED CN(CCC#N)C(=O)c1cc2cccc(Cl)c2s1 1597770359 VKGRYLQZHZOUJT-UHFFFAOYSA-N 278.764 3.540 30 20 CHED Cc1[nH]nc(NCc2ccc(Oc3ccccc3)o2)c1C#N 1620962045 LZAQBDQPWWUUMG-UHFFFAOYSA-N 294.314 3.587 30 20 CHED N#Cc1cccc2c1CCN2Cc1c(F)cccc1Cl 1646300202 SETFZFYQWWBGAS-UHFFFAOYSA-N 286.737 3.913 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2ncc(C#N)cc2F)c1 1650796191 RPVMMKMJNAYITK-ZDUSSCGKSA-N 283.350 3.752 30 20 CHED Cc1cccc(C)c1CCNc1ccc(Cl)c(C#N)n1 1651620681 WBNUKCCCFGOILS-UHFFFAOYSA-N 285.778 3.878 30 20 CHED CCC[C@H](CN1CCC[C@H]1[C@@H](C#N)c1ccccc1)OC 1658294039 PKCNJKCPUZSEKB-SQNIBIBYSA-N 286.419 3.573 30 20 CHED Cc1cccc(C[C@H](C)NCc2ccc(C#N)c(F)c2)c1 1660032397 OTAQMAGTIWKYRW-AWEZNQCLSA-N 282.362 3.727 30 20 CHED C=Cc1ccc(C=NNc2ccc(C(=O)O)c(F)c2)cc1 1776077064 SWECWHDNFQNDET-UHFFFAOYSA-N 284.290 3.613 30 20 CHED C=CCC1(C(=O)O)CCN(CC/C=C/c2ccccc2)CC1 1776160508 KZAYGGAWRXGXRF-UXBLZVDNSA-N 299.414 3.833 30 20 CHED CC(C)c1ccc(C(=O)/C=C\c2cncc(C(=O)O)c2)cc1 1776370230 MHTJSPKJYMWSGU-BAQGIRSFSA-N 295.338 3.799 30 20 CHED Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 6845813 LUEYNNFUMHJUPT-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED C=CCSc1nnc(Nc2cccc(F)c2)s1 7576919 PTCLBRXQURMGAW-UHFFFAOYSA-N 267.354 3.699 30 20 CHED CCC1(CC)CN(Cc2ccc(F)c(C#N)c2)CCS1 464569658 KMQQOWSQFWNQDP-UHFFFAOYSA-N 292.423 3.805 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(-c2nccs2)c1 117002681 SFOPXIHXMQNEGN-LLVKDONJSA-N 287.388 3.896 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1CCc1ccccc1 116971074 CPAUQMKWXGMRPZ-NVXWUHKLSA-N 286.419 3.758 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(OCC=C)cc2)c1 103031344 VMXLPYAEBOWHOU-UHFFFAOYSA-N 291.350 3.509 30 20 CHED Cc1ccc2cccc(NC(=O)C3(C#N)CCCCC3)c2n1 171133017 LUXSOHZHRIIKDI-UHFFFAOYSA-N 293.370 3.956 30 20 CHED CCN(CC)C(=S)SCc1ccc(F)c(C#N)c1 177337935 DJCVXKVPTARNOP-UHFFFAOYSA-N 282.409 3.557 30 20 CHED CCCCCCCCCN(C)C(=O)c1c[nH]c(C)cc1=O 174205828 PLBRXWBCSJLRQU-UHFFFAOYSA-N 292.423 3.506 30 20 CHED COc1cc(C#N)ccc1CN(C)[C@@H]1CCc2ccccc21 179655312 WAHMQRFMBRATMI-GOSISDBHSA-N 292.382 3.686 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@H]2c2ccccc2)cc1 111412697 DKZHJUBPRXOAGR-OALUTQOASA-N 276.383 3.984 30 20 CHED C[C@H](C#N)CN(C)CCCOc1cccc2ccccc12 64797306 DWBUDFYUOIVVSJ-OAHLLOKOSA-N 282.387 3.700 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1NCCCCC#N 178640968 NZPTWXRSJJLDAL-BLLLJJGKSA-N 260.356 3.733 30 20 CHED Cc1ccc(C[C@H](C)Nc2ccc(C#N)nc2)c(C)c1 301503706 HUOLHNLJPJMGKF-AWEZNQCLSA-N 265.360 3.613 30 20 CHED N#Cc1ccc(CN[C@H](Cc2ccccc2)C2CC2)s1 176973017 SOTKIHQUEITVKU-QGZVFWFLSA-N 282.412 3.731 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccn1 174320706 WVQJMIQCOXQRKN-ZDUSSCGKSA-N 282.343 3.568 30 20 CHED N#Cc1ccc(F)cc1COc1cccc(C(F)(F)F)n1 179941325 BRCQAXFUOATKFW-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C#CCCCNC(=O)Nc1ccc(CCC(F)(F)F)cc1 176276895 HKFNLXKZMZKZRD-UHFFFAOYSA-N 298.308 3.716 30 20 CHED C[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)[C@@H]1C 302276990 IZFKRIRZBLZYKD-NXEZZACHSA-N 268.282 3.812 30 20 CHED N#Cc1c(NCCc2cccc(Cl)c2)nc2ccccn12 302123221 YSOYGBBUPMPYOP-UHFFFAOYSA-N 296.761 3.514 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccccc1OC 65775791 UWBPJSXRBZZNAX-UHFFFAOYSA-N 295.382 3.566 30 20 CHED C=CCCSc1nnc2sc3ccccc3n12 128609886 UBOXCCMVJSAZOP-UHFFFAOYSA-N 261.375 3.612 30 20 CHED N#C[C@H](C(=O)C1=CCCCCC1)c1nc2ccccc2[nH]1 122689816 OAOYYCHAASCIQM-CYBMUJFWSA-N 279.343 3.630 30 20 CHED CCCCCN(C(=O)NC[C@H](C)C#N)[C@@H](C)CCC 182758483 VGGGYVQGSOMQTF-KGLIPLIRSA-N 267.417 3.536 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@@H]2CCCC[C@@H]21 36826946 NJAQLXLACGIQKC-RDJZCZTQSA-N 284.403 3.592 30 20 CHED CC[C@H]1CN(C(=O)C(C)(C)C#N)CC[C@H]1c1ccccc1 74285157 WWHMTCCBCAZOQO-GOEBONIOSA-N 284.403 3.578 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(Oc2cccnc2)cc1 180465646 GHXDSLYDOLGVKE-UHFFFAOYSA-N 282.343 3.522 30 20 CHED C=CCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 76175605 VNTYQROXODSOSL-UHFFFAOYSA-N 299.414 3.859 30 20 CHED CCN(CCCCC#N)[C@@H](C)Cc1ccsc1 187795811 TXUUIIYVKUQPBH-ZDUSSCGKSA-N 250.411 3.695 30 20 CHED C=C(C)COc1cccc(NC(=O)NC[C@@H](C)SC)c1 120551873 RAFFGIWCMVEEDV-GFCCVEGCSA-N 294.420 3.515 30 20 CHED CC[C@H](SC)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187281160 DIBHLDROOVJSDC-UYJPIKCFSA-N 296.480 3.743 30 20 CHED CCO[C@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 127841826 FNMDUVUJOJGMBQ-LBPRGKRZSA-N 298.308 3.582 30 20 CHED C=CC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 411259518 WTKNFRHXZQHNKK-UHFFFAOYSA-N 286.350 3.879 30 20 CHED CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 503907731 IOWPJTMUUWYBFP-KCXAZCMYSA-N 260.356 3.805 30 20 CHED Cc1cc(NC(=O)[C@@H]2CCCC2(C)C)c(C#N)cc1N(C)C 415698480 ZCNFAZLPOSWKQV-AWEZNQCLSA-N 299.418 3.698 30 20 CHED COc1ccc(OC)c(/C=C\C(=O)c2ccc(C)s2)c1 210335042 YUYVOKKWTGSWCA-ALCCZGGFSA-N 288.368 3.970 30 20 CHED CCC[C@@H](NC(=O)[C@@H](C)SCCC#N)c1ccccc1 413016599 WMTNZCFUNBUQMB-UKRRQHHQSA-N 290.432 3.679 30 20 CHED C#CCOc1ccccc1NC(=O)Nc1cc(F)ccc1C 185675844 ZQGHBTCYWHYMSA-UHFFFAOYSA-N 298.317 3.790 30 20 CHED CC(C)c1ncc(CN(CCC#N)Cc2ccco2)s1 159552593 AUCMKLKDYVVBBD-UHFFFAOYSA-N 289.404 3.775 30 20 CHED Oc1ccc(Cl)cc1/C=N/Cc1ccc(Cl)nc1 77552092 QBZPGOQJSKQXAH-LZYBPNLTSA-N 281.142 3.713 30 20 CHED C[C@@H](N[C@H](CCN(C)C)C(C)(C)C)c1cccc(C#N)c1 181763698 ARQXOPVLXQKVPP-RHSMWYFYSA-N 287.451 3.575 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(C#N)cc1OC 121125920 NKEPQODBUSGBFS-UHFFFAOYSA-N 299.418 3.719 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Nc1ccc(F)nc1 127697632 DDEHNYRNFSUSAL-UHFFFAOYSA-N 291.370 3.821 30 20 CHED CC(C)[C@H](COCc1ccccc1)NCC(C)(C)CC#N 414159704 BRRDCLKRYXUBKH-KRWDZBQOSA-N 288.435 3.757 30 20 CHED CC(C)(C#N)CNC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 503132206 FMXXJZNMQDZFDH-JKSUJKDBSA-N 299.418 3.562 30 20 CHED C#CCCCCC(=O)Nc1cc(OC)ccc1OC(C)C 120111247 UKDVDNNKTAIUHK-UHFFFAOYSA-N 289.375 3.615 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 410834111 JGQWZOQJQRGEHQ-MGPQQGTHSA-N 264.413 3.599 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2[nH]ccc2c1 122031231 SRBJUYQGYLHQRJ-UHFFFAOYSA-N 254.333 3.875 30 20 CHED C=CCCOCCN[C@H](C)c1ccc2ccccc2c1O 186186075 XRTYSKMFXIKWJY-CQSZACIVSA-N 285.387 3.789 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccc(F)cc1F)C(C)C 185842551 LLIJFRHMFSISIF-KRWDZBQOSA-N 293.357 3.972 30 20 CHED CC(C)(CC#N)CN[C@H]1CCSc2c(F)cccc21 414175781 ZRHRCLBLDXMBOV-ZDUSSCGKSA-N 278.396 3.892 30 20 CHED CC(C)c1nc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cs1 75265621 AORNCIOUYYKOOR-NSHDSACASA-N 299.399 3.629 30 20 CHED C=C(Cl)C[S@@](=O)Cc1ccc(C(C)(C)C)cc1 125096542 KLXAFVFWWKJEAS-KRWDZBQOSA-N 270.825 3.985 30 20 CHED C=CCc1ccc(OC(=O)CCCC#CC)c(OC)c1 184992648 DRQSPMMSJYHETP-UHFFFAOYSA-N 272.344 3.523 30 20 CHED C=CCC[C@H](NCc1cnc(CC)nc1)c1ccccc1 414357272 BYXHUADZYSWDCR-KRWDZBQOSA-N 281.403 3.836 30 20 CHED C=C(Br)CN1CCC(c2ccsc2)CC1 186955830 WKWMUWXTXVOTOS-UHFFFAOYSA-N 286.238 3.836 30 20 CHED O=C(/C=C\c1ccsc1)c1cccc([N+](=O)[O-])c1 213893984 KRTGRRPQETUQCN-PLNGDYQASA-N 259.286 3.552 30 20 CHED Cc1cc(C)c(/C=C2/CCc3[nH]c(=O)ccc3C2=O)cc1C 133318252 GLPRVSSXHGQFKU-UVTDQMKNSA-N 293.366 3.513 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC)c1ccc(C)cc1 182217507 APVIZZDSMWKFKU-HNNXBMFYSA-N 260.381 3.664 30 20 CHED CCc1ccc(C(C)(C)NCCCSCC#N)cc1 180105132 OXTLKWRVNZLJDT-UHFFFAOYSA-N 276.449 3.721 30 20 CHED C=CCC[C@@H](CC)NCC[C@@](C)(O)c1ccccc1 187924548 XWFAHXPWYXJRIN-IAGOWNOFSA-N 261.409 3.619 30 20 CHED C=CCCCCCN(C)CCOc1cccc(C#N)c1 610079890 FDFRIWUSVROFGO-UHFFFAOYSA-N 272.392 3.615 30 20 CHED CC(C)(C#N)CCCCN1CCOc2c1ccc(F)c2F 412028526 NBEIMEWLSNMUNK-UHFFFAOYSA-N 294.345 3.884 30 20 CHED Cc1ccc(C#N)cc1NCc1ccncc1Cl 88781369 JKRNFYRRQYPQGO-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1c(C#N)cccc1C(=O)N(CC(C)C)C1CCCC1 509081487 KJADKSWLQDSOSV-UHFFFAOYSA-N 284.403 3.908 30 20 CHED C=C[C@H](CC(=O)Nc1cc(CC)nc(C)n1)c1ccccc1 89917055 ANSXLVHMDSMLAY-CQSZACIVSA-N 295.386 3.646 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1cccc(F)c1F 194588630 VVHUNHXGIDXCOT-CMDGGOBGSA-N 269.250 3.733 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cn(C(C)(C)C)nn1)CC2 191328963 AQYAOSTZPJYVCQ-UVTDQMKNSA-N 295.386 3.554 30 20 CHED CCC1(CC)[C@H](/N=C(/O)[C@@H]2CCC(=O)[C@H](C)C2)C[C@H]1OC 328920422 BATFYRSFZXCYSF-QHSBEEBCSA-N 295.423 3.542 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(Cl)s1 85441017 MVDHBRKKCIUWJH-WPRPVWTQSA-N 284.812 3.559 30 20 CHED N#CC1(/N=C(/O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCOCC1 329151447 AXNPSLPMPVZBIQ-RRFJBIMHSA-N 290.407 3.622 30 20 CHED N#Cc1ccc(/C=C/c2csc(-c3ccccn3)n2)nc1 193447903 LKEGLECAGDQCNI-VOTSOKGWSA-N 290.351 3.642 30 20 CHED CN(CCCc1ccccc1)C(=O)C1(C#N)CCCCC1 194340406 NCYIJNXKHIIFSH-UHFFFAOYSA-N 284.403 3.552 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C 511156819 BIBXTKKVKJVEFL-RDBSUJKOSA-N 251.414 3.777 30 20 CHED N#C[C@H](C(=O)Cc1cccc2ccccc12)c1ccccn1 46439634 JOTYSVQOZCSJGY-KRWDZBQOSA-N 286.334 3.654 30 20 CHED CCCCCCCCC(=O)N(C)CC(F)(F)F 192657435 BDNWPXCFNHPMOK-UHFFFAOYSA-N 253.308 3.758 30 20 CHED COc1ccc(Cl)c(N[C@H]2CCC[C@@H](C#N)C2)c1 193270513 ABKUPDONAUFGDW-MNOVXSKESA-N 264.756 3.843 30 20 CHED Cc1c(NC(=O)[C@@]2(C)CCC[C@@H]2C)ccc(C#N)c1C#N 421557274 LEWDITBIUSNJPW-GTNSWQLSSA-N 281.359 3.503 30 20 CHED C=C(C)C(C)(C)C(=O)NCC[C@H](OCC)C1CCCC1 424697799 BLOFNMLDQHRPCD-HNNXBMFYSA-N 281.440 3.690 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2CCC[C@@H](C)CC2)C1 329013272 PGCWSYLSVZSJEQ-XQHKEYJVSA-N 266.385 3.667 30 20 CHED C=CCC1(C(=O)Nc2cc(OC)c(OC)cc2F)CCC1 191445344 MPFNSRVYJYIJNK-UHFFFAOYSA-N 293.338 3.528 30 20 CHED Cc1cc(C(C)(C)C(=O)O)ccc1-c1ccc(C#N)s1 519547763 IUHBDYKTOOXYFR-UHFFFAOYSA-N 285.368 3.957 30 20 CHED C#CC[C@@H](C)OC(=O)c1cccc(-c2csc(C)n2)c1 83786007 QEQSXCLOIVYFIB-LLVKDONJSA-N 285.368 3.687 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 515251591 DDXPMZAHVMNROA-KSSFIOAISA-N 293.370 3.727 30 20 CHED CCSc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 190949039 LWLAHJKSUFKLPU-ZDUSSCGKSA-N 299.443 3.860 30 20 CHED Cc1cc(C)c(C#N)c(NCCO[C@@H]2CCCC[C@H]2C)n1 195667707 PXEMRVHACARPFV-MLGOLLRUSA-N 287.407 3.577 30 20 CHED CCCCc1cc(NC(=O)Nc2cc(C#N)ccc2C)[nH]n1 192243746 MKVIQJJTYTTYPG-UHFFFAOYSA-N 297.362 3.576 30 20 CHED CCOc1cc(N/C(O)=N/C[C@H]2CCCS2)ccc1C 330566583 LFVDZLJWGHKPCS-CYBMUJFWSA-N 294.420 3.615 30 20 CHED CSc1ccsc1C(=O)N(C)c1ccccc1C#N 335882255 HBCIVNDENORRHS-UHFFFAOYSA-N 288.397 3.618 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 335094972 WENKHUCSUGVKEG-GFCCVEGCSA-N 283.371 3.696 30 20 CHED Cc1cc(CCCC(=O)[C@H](C#N)c2ccccn2)c(C)s1 84692686 MKAKSPHOXLUGBJ-OAHLLOKOSA-N 298.411 3.959 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1cccc(OCC)c1 424616822 NFKURVKJAGNXCQ-CYBMUJFWSA-N 275.392 3.865 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 336579821 IPXUKXFJPLAOID-MRXNPFEDSA-N 282.387 3.668 30 20 CHED CCCCC/C(=C\c1ccccc1)CN1CCO[C@@H](C#N)C1 513689660 DZCLAPRONOJCEU-BIRYMOPTSA-N 298.430 3.875 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(OC(C)C)cc1 190245354 AWIZLDJSNRBHEJ-KRWDZBQOSA-N 275.392 3.692 30 20 CHED N#CCCCCN[C@H]1CCc2sc(Br)cc21 293913856 XAAHWIKTFSWGLC-JTQLQIEISA-N 299.237 3.781 30 20 CHED C=CCN(CC=C)CCc1c(F)cccc1Cl 514123879 FEWLBGPHMTZDDA-UHFFFAOYSA-N 253.748 3.696 30 20 CHED Cc1c(NC(=O)[C@@H](C)CC(C)(C)C)ccc(C#N)c1C#N 421553663 DWSGVKWWXHJLSY-NSHDSACASA-N 283.375 3.749 30 20 CHED C=CCn1c(SCc2nccc(C)n2)nc2ccccc21 339308925 RKOHOSHTVKKUMV-UHFFFAOYSA-N 296.399 3.613 30 20 CHED C[C@H]1CCCC[C@@H]1CNCc1ccc(O[C@H](C)C#N)cc1 237537339 RRCOVKYOUWEIGF-ZMSDIMECSA-N 286.419 3.893 30 20 CHED Cc1cc(F)cc2c1CN(Cc1cc(C#N)ccc1F)CC2 337431287 ZBFGDRMTXSVJCK-UHFFFAOYSA-N 298.336 3.703 30 20 CHED CC(C)c1cc(Br)ccc1NC(=O)[C@H](C)C#N 336414755 FUMLRBDJYAYDEA-SECBINFHSA-N 295.180 3.671 30 20 CHED N#Cc1cnc2c(Cl)cccc2c1S[C@H]1CCOC1 335358327 NZVMIDDVUOGURR-JTQLQIEISA-N 290.775 3.641 30 20 CHED C=CCc1cc(CN[C@@H]2CC[C@@H](C)C2)cc(OC)c1OC 237197367 HVCKCLWMCMAJRW-CZUORRHYSA-N 289.419 3.711 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cc(F)cc(Cl)c1 439421967 LXUZWPPBYPIWJT-LLVKDONJSA-N 270.735 3.955 30 20 CHED CCCN=c1[nH]nc(SCCCCC(C)(C)C#N)s1 436189665 RDQPEYJXSJAUCP-UHFFFAOYSA-N 298.481 3.594 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc(C#N)o2)c1 335316703 UVBAYZYEUGUUCJ-CYBMUJFWSA-N 282.343 3.601 30 20 CHED C=C[C@@H](CC(=O)Nc1cnc(C)s1)c1ccccc1 340303894 RNWGLOMGNYVHTN-LBPRGKRZSA-N 272.373 3.750 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(CC)nc1 348134882 QCYKSJYXSUGVSP-UHFFFAOYSA-N 281.359 3.526 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 248413974 GNGLOUMARVEFJC-COXVUDFISA-N 254.377 3.569 30 20 CHED C[C@H]1CCC[C@@H](N(C)Cc2cn3ccccc3c2C#N)C1 341224764 PSAONJQXZGJKCU-GOEBONIOSA-N 281.403 3.821 30 20 CHED C=CCOCCCN(Cc1ccc(C)s1)C(C)C 347973652 SLGLORGCORJCBE-UHFFFAOYSA-N 267.438 3.860 30 20 CHED C=CCOCCCN1CC[C@H](C)C[C@@H]1c1ccco1 348053876 WXRHQZXXFJADIT-LSDHHAIUSA-N 263.381 3.645 30 20 CHED C[C@@H]1CCN(c2nccc(C#N)c2Cl)CC12CCC2 342934710 RNSGSSUCJJKIOY-LLVKDONJSA-N 275.783 3.623 30 20 CHED C[C@@H](C#N)N(C)C(=O)CCCSc1ccc(Cl)cc1 297789469 NYWHSUHQQRSHLX-NSHDSACASA-N 296.823 3.583 30 20 CHED Cc1cccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 342607347 RHCSFHOESZHWFR-RBUKOAKNSA-N 291.398 3.662 30 20 CHED C=CCC[C@H](NC(=O)N1C[C@H]2[C@H](C1)C2(C)C)c1ccccc1 435104423 FWYKOLCQCWTBJZ-ULQDDVLXSA-N 298.430 3.991 30 20 CHED C=CC1CCN(Cc2csc(Br)c2)CC1 523607771 VSRCSVRCYUAVSV-UHFFFAOYSA-N 286.238 3.909 30 20 CHED Cc1cc(=N[C@H](C)c2cc3ccccc3o2)cc(C#N)[nH]1 436668003 WFVDBHPQJQRKIF-GFCCVEGCSA-N 277.327 3.603 30 20 CHED N#Cc1ccc(C2(NCC3=CCCCC3)CCOCC2)cc1 528782127 IYFMIELKTCXNEO-UHFFFAOYSA-N 296.414 3.654 30 20 CHED C[C@H](CCC#N)CN[C@H](c1ccc(F)cc1)[C@H]1CCCO1 602536637 VSRLOBGPTOJDSP-KBRIMQKVSA-N 290.382 3.575 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)c[nH]2)cc1 255000808 JUDHXUKEYLJMAM-KHPPLWFESA-N 299.333 3.844 30 20 CHED N#CC1(CCCSc2ccccc2)CCOCC1 344618952 HNKRFTXAXLYALJ-UHFFFAOYSA-N 261.390 3.879 30 20 CHED N#CCCCN[C@@H](CC(F)(F)F)c1ccccc1 341583303 CYHRNBXEAFKMHT-LBPRGKRZSA-N 256.271 3.573 30 20 CHED C=CCCCCCN(C)C(=O)/C=C\c1ccccc1C#N 255037906 UOEKRAJNXRFZLT-SEYXRHQNSA-N 282.387 3.776 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1cnccc1C#N)CCC2 340977701 MSYIXARTVYIPCD-MRXNPFEDSA-N 263.344 3.751 30 20 CHED Cc1ccoc1CN(C)C(=O)C[C@@H](CC#N)c1ccccc1 345063364 VXMVRYHYSMWHCY-MRXNPFEDSA-N 296.370 3.634 30 20 CHED CO[C@@H]1[C@H](C)[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1(C)C 344327336 LMVKGHMMRNZMHU-BDQAWRDZSA-N 298.430 3.585 30 20 CHED Cc1nn(C(C)C)cc1CNc1cccc(C#N)c1C 343555477 KIZCMAIWCVYCFJ-UHFFFAOYSA-N 268.364 3.565 30 20 CHED N#Cc1cccc(-c2nnc(CSc3ccccc3)o2)c1 341801633 OVXCFXPCQAXPEG-UHFFFAOYSA-N 293.351 3.901 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CCc1ccc(C(C)C)cc1 608823876 JAOXOYKRYLRZJB-QGZVFWFLSA-N 286.419 3.797 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 448583771 WHRACEHJNNBDHQ-VHSSKADRSA-N 295.382 3.608 30 20 CHED CCN(CC#N)CC/C=C\c1ccc(Br)cc1 522777746 WFLWORUGFDBCTR-HYXAFXHYSA-N 293.208 3.698 30 20 CHED C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCC#N 441064759 JGIPDDORMCRILI-JXFKEZNVSA-N 290.410 3.979 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ncc(-c2ccccc2)s1 604892028 BDMJTNVMEMUWBU-NSHDSACASA-N 287.388 3.896 30 20 CHED Cc1ccc(NC[C@@H](C)CCC#N)cc1OC(F)F 602487437 MGWGRUCYYSTPEQ-JTQLQIEISA-N 268.307 3.948 30 20 CHED Cc1ccnc([C@@H](C)Nc2cccc(CC#N)c2)c1 449700142 PNRXWIWJRFUXJB-CYBMUJFWSA-N 251.333 3.629 30 20 CHED Cc1c(NC[C@@H](C)CCC#N)cnn1C1CCCC1 602635026 VWPZRPNAAJBBGA-LBPRGKRZSA-N 260.385 3.658 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](CC)c1ccccc1 353174103 OPSKUIIJUHPYME-CABCVRRESA-N 260.381 3.792 30 20 CHED C=C1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 353328460 INQKQKWWUHKKBS-UHFFFAOYSA-N 287.794 3.882 30 20 CHED Cc1ccc2[nH]c3c(c2c1)CN(c1ccc(C#N)cc1)CC3 603596481 JUYQEPNXBODRAS-UHFFFAOYSA-N 287.366 3.911 30 20 CHED Cn1c(C(C)(C)C)nc2cc(N[C@H]3CC[C@@H](C#N)C3)ccc21 442845626 NHYCHEOJQXVCHC-OLZOCXBDSA-N 296.418 3.975 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)C1CCCCC1 602394393 QRCAOOKBHTWDIP-UHFFFAOYSA-N 274.339 3.571 30 20 CHED C=CC[C@@H](C)NC(=O)C1(Cc2ccc(Cl)cc2)CC1 537739818 UEOLMLKBLIWCIC-GFCCVEGCSA-N 277.795 3.744 30 20 CHED CC(C)(CCC#N)CNCCCOCCc1ccccc1 266242044 XNOCQQGOZLKPQD-UHFFFAOYSA-N 288.435 3.555 30 20 CHED C[C@@H](C(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 266119066 OEFJJJKVLZHCIA-GFCCVEGCSA-N 290.794 3.786 30 20 CHED C[C@H](c1cccnc1)N(C)c1nc(C(C)(C)C)ccc1C#N 613416735 JCHKUDUNHZFXLK-CYBMUJFWSA-N 294.402 3.843 30 20 CHED Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1Br 613661053 YXCWVOLKLLQMPV-YPMHNXCESA-N 293.208 3.539 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 614222570 AZZLQOQKGRYQIL-RDJZCZTQSA-N 288.366 3.755 30 20 CHED C=CCCN(C)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 613842770 VQWDZESEPPDJMD-SJORKVTESA-N 271.404 3.680 30 20 CHED CCCCCc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1 448578619 AUKHVAQSWBJMTM-DYVFJYSZSA-N 270.376 3.908 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H](CCC(C)C)C(C)(C)C 449875247 YBJNHRLHCDNBPE-OAHLLOKOSA-N 289.423 3.776 30 20 CHED CCc1c(C)sc(NC(=O)C(C)(C)CSC)c1C#N 443533830 QBPJMTVFSRRNFQ-UHFFFAOYSA-N 296.461 3.818 30 20 CHED CO[C@@]1(C)CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 359713353 IJTFVDUUJUPJSZ-AWEZNQCLSA-N 298.308 3.582 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1ccc(C2CCC2)cc1 353177958 ZNNDZHCSLRYBQS-UHFFFAOYSA-N 270.376 3.576 30 20 CHED N#CCCN(Cc1ccn(C2CCCC2)n1)Cc1ccco1 268707941 STSPHZCVOBRDTG-UHFFFAOYSA-N 298.390 3.507 30 20 CHED COc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 353306128 PVSPSPHIOVVCDO-HNNXBMFYSA-N 294.354 3.721 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C[C@H](C)c1ccccc1 537722854 PLUPBQNIMCMTCN-ZDUSSCGKSA-N 293.370 3.732 30 20 CHED C=C[C@@H](S[C@H]1CCCc2ccccc21)C(=O)OC 619689108 NQGBQYZWFZDUDR-KGLIPLIRSA-N 262.374 3.525 30 20 CHED Cc1ccc(-c2nc(CN3CCC[C@@](C)(C#N)C3)co2)cc1 612161388 DISPKVLGAUCQBV-SFHVURJKSA-N 295.386 3.776 30 20 CHED C[C@H]1CN(Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 266860654 JOAFBUBAYNGTIA-HNAYVOBHSA-N 292.382 3.782 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](CCC)C(C)(C)C)OCC 452664912 VZROXKRWDMNBRN-KBPBESRZSA-N 269.429 3.689 30 20 CHED C[C@]1(CCc2ccccc2)CCN(C[C@@H](C#N)CCC#N)C1 267568206 COKDMZPJSRINJF-MOPGFXCFSA-N 295.430 3.775 30 20 CHED C=CC1CCN(c2ncncc2-c2ccccc2)CC1 539248175 MLKVLMBYACHUGM-UHFFFAOYSA-N 265.360 3.546 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 450077910 YAZHZCVKSKVCQQ-YGRLFVJLSA-N 296.292 3.670 30 20 CHED Cc1cc(O)c(C(C)C)cc1NC(=O)C1(C#N)CC(C)C1 533037240 SEDOKPFBRPCVMN-UHFFFAOYSA-N 286.375 3.702 30 20 CHED C=CCC1(CNC(=O)c2ccc(CC#N)cc2)CCCC1 456490601 XJLSZIKNTFRUDV-UHFFFAOYSA-N 282.387 3.619 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 456502438 JHDMEQXZHBNQHH-CHWSQXEVSA-N 293.432 3.687 30 20 CHED C=C(C)CCNC(=O)c1cccc(-c2nc(C)cs2)c1 452716457 HZHIUBJICKGNEI-UHFFFAOYSA-N 286.400 3.815 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1CCc2cc(C#N)ccc21 618806886 SICHJRYYHRDNBW-DQYPLSBCSA-N 268.404 3.960 30 20 CHED C[C@@H]1C[C@@H](C)CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 454169841 QVBBHECOLCQGKL-HUUCEWRRSA-N 298.430 3.631 30 20 CHED C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1ccccn1 271431945 PYZHCYWXYBPNGS-OAHLLOKOSA-N 282.387 3.839 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCCCC(C)(C)C#N 271642729 HMECPMOKMKSRSM-CQSZACIVSA-N 274.408 3.984 30 20 CHED C[C@@]1(C#N)CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 613889411 DYVGJDGYGOHXTJ-AWEZNQCLSA-N 293.292 3.707 30 20 CHED CC[C@@H](C)CN(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 455613785 HFPRIVXYLNXJRY-CQSZACIVSA-N 286.419 3.631 30 20 CHED CCCC[C@@H](CC)CNC(=O)N1CCC(CC#N)CC1 543775980 VROPBOKGUVZNGH-CQSZACIVSA-N 279.428 3.538 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC(C)(CC(F)(F)F)C1 458627863 WTFIRPDIXFGMER-NSHDSACASA-N 292.345 3.715 30 20 CHED C=CCOc1cccnc1-c1nc(-c2ccc(C)cc2)no1 540290110 CYUUNMVJFSOKPS-UHFFFAOYSA-N 293.326 3.672 30 20 CHED C[C@H]1C[C@@H](C(=O)NCC(C)(C)CCC#N)CC[C@H]1C 451781417 XNTHPSBWZCKTLU-RDBSUJKOSA-N 264.413 3.505 30 20 CHED CC[C@H](C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1 270312967 ZDBPRAYCXOBNCF-KRWDZBQOSA-N 290.366 3.641 30 20 CHED C[C@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1 272385806 FXVFBIHOSAKPJQ-DYVFJYSZSA-N 272.392 3.625 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)NCCCC#N)cc1 273071911 VUYFRCVTSYBAII-AWEZNQCLSA-N 272.392 3.724 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 450040111 HAWJGKFHRHOPJJ-VXGBXAGGSA-N 287.407 3.530 30 20 CHED N#Cc1ccc(NCc2ncoc2-c2ccccc2)c(F)c1 364849330 GPGMYBJMUDCOLQ-UHFFFAOYSA-N 293.301 3.964 30 20 CHED C=CCN(C(=O)c1cc2ccccc2nc1C)C(C)(C)C 622942847 BOJVJWLQLLLRFE-UHFFFAOYSA-N 282.387 3.970 30 20 CHED CCC[C@H](NC(=O)NCC(C)(C)CC#N)C1CCCC1 459240465 QBLWRDBOMUNLQE-AWEZNQCLSA-N 279.428 3.584 30 20 CHED C=CC[C@@H](C)N[C@H](c1ccc(F)cc1)c1ccccn1 542496377 NVAHQSVVJXZKPN-CXAGYDPISA-N 270.351 3.864 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1cc(C)sc1C 276210281 ZUZZKFXKVNFYAU-LLVKDONJSA-N 266.410 3.643 30 20 CHED CCSCC[C@H](C)N(C)c1nc(Cl)c(C#N)s1 278657197 ISGSIDMTDZTSCW-QMMMGPOBSA-N 289.857 3.636 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(C)on1 378441727 AONOFJNMHNYCLU-SWLSCSKDSA-N 291.395 3.574 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@]12CCc1ccccc12 620859094 WMQLKHMBOZZHMI-LPHOPBHVSA-N 283.415 3.752 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(Cc2cccc(C#N)c2)n1 547098643 PYFGQPQMAOAVKD-SWLSCSKDSA-N 281.359 3.826 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1ccon1 546042768 XYTABRFOTRDPEJ-CYBMUJFWSA-N 291.395 3.514 30 20 CHED C=CCCN(C)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 276210458 ZZTNJXAYPLNVNV-CQSZACIVSA-N 290.407 3.752 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1ccccc1Cl 464167123 GHRGLGSMVCYKKT-MRXNPFEDSA-N 292.810 3.717 30 20 CHED C=CCC1(NCCc2ccncc2C)CCCCC1 625934190 DRRXRIMWJXFSSO-UHFFFAOYSA-N 258.409 3.801 30 20 CHED CC[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1cccs1 461925035 ZENIRYVUZXNYDK-IUODEOHRSA-N 298.411 3.991 30 20 CHED N#CCC[C@H](NC(=O)N1CCC[C@H]1C1CC1)c1ccccc1 372180508 NKRYRFBJQMQKQD-IRXDYDNUSA-N 297.402 3.615 30 20 CHED C=CCCN(C)C(=O)CCCCCc1ccc(OC)cc1 467080530 GNYOXWWEGHZFNI-UHFFFAOYSA-N 289.419 3.833 30 20 CHED C=CCc1ccc(OCCCCCF)c(OC)c1 559946825 JBYCDZLXUKLIPI-UHFFFAOYSA-N 252.329 3.942 30 20 CHED C=CC[C@@H](CC)NCc1ccc2c(c1)COC(C)(C)O2 281216098 KACKYUREGYZICQ-OAHLLOKOSA-N 275.392 3.776 30 20 CHED CC[C@@](C)(C#N)c1nc(C2(c3cc(F)ccc3C)CC2)no1 288957156 ACMDOHWXTYXEEK-INIZCTEOSA-N 299.349 3.788 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nnc(-c2ccccc2)s1 467854892 WMSFPMQRQBUFSE-OAHLLOKOSA-N 287.388 3.746 30 20 CHED COc1ccccc1[C@]1(C)C[C@H]1Nc1cccc(F)c1C#N 462876305 DDZNIDUJICTFOB-MSOLQXFVSA-N 296.345 3.848 30 20 CHED CC#CCCCC(=O)N(Cc1ccccc1F)C(C)C 464556412 WGYIGVKIVAJTDU-UHFFFAOYSA-N 275.367 3.756 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(OCc2ccccc2)cc1 465146708 NSEHSUNDWOCBEW-AWEZNQCLSA-N 281.355 3.570 30 20 CHED C=CCCCCNC(=O)c1cc2ccccc2nc1C 471686581 FSOFMGWXWYCHPB-UHFFFAOYSA-N 268.360 3.629 30 20 CHED C=CCCCCCN(C)C(=O)N(C)Cc1ccccc1 478894885 GFNSHWOHPXONKU-UHFFFAOYSA-N 274.408 3.917 30 20 CHED C=CCOCCCN1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 470763903 DQADEDRXGDHAOI-MAUKXSAKSA-N 289.419 3.671 30 20 CHED CCC(CC)(OC)c1noc(/C=C/c2ccccc2C#N)n1 290579235 WAEDXECLHCNSMQ-ZHACJKMWSA-N 297.358 3.773 30 20 CHED C=CCC(C)(C)CN[C@@H](c1cncc(F)c1)C1CC1 293813163 VVUDSDXLQKSMMI-OAHLLOKOSA-N 262.372 3.864 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 473537796 CSRWOBZXVBQNIE-QAPCUYQASA-N 294.483 3.606 30 20 CHED C=CCC[C@H](C)NCCc1cc(C(F)(F)F)ccn1 293827421 WSNXINYXMNNZTG-NSHDSACASA-N 272.314 3.587 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2cccc(OCC#N)c2)CC[C@H]1C 294397359 IEUINXJSMOKTRS-RDBSUJKOSA-N 286.375 3.600 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1[C@H]1CC[C@@H](C#N)C1 292756842 IMEOSPGWIHBBKR-TXCZRRACSA-N 254.377 3.557 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(F)cc1C(F)(F)F 294388584 HSOJLNPCMMLVGF-UHFFFAOYSA-N 289.272 3.673 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1nccnc1C1CCC1 807991373 KYAXEBPIBZPNML-UHFFFAOYSA-N 292.386 3.815 30 20 CHED C#C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(Cl)cc1F 804420682 MEGIWJCJWRNDKT-IAQYHMDHSA-N 291.753 3.626 30 20 CHED C#C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(C)(C)C 807879115 NOAGPFPPBPETSX-OAHLLOKOSA-N 297.354 3.850 30 20 CHED CCc1ccc(C=NNc2nccnc2C2CCC2)s1 807992104 ZJMDTGGQWBVOHL-UHFFFAOYSA-N 286.404 3.814 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)CCCC#N 291801366 YUSWFZPPPYUEFJ-INIZCTEOSA-N 272.392 3.892 30 20 CHED N#CCCC1CCN(C/C=C/c2ccccc2)CC1 399408861 QMUSTLRMPCRRNH-WEVVVXLNSA-N 254.377 3.716 30 20 CHED C=CCCCCCCNC(=O)CCc1cncc(C)c1 292942662 USYNBAJOTMCORO-UHFFFAOYSA-N 274.408 3.575 30 20 CHED CCc1ccccc1-c1noc(-c2cccc(C#N)c2)n1 569536346 HQGKIFYBCKYMDY-UHFFFAOYSA-N 275.311 3.838 30 20 CHED CC(C)[C@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1 801910830 BNSZQYYBVXDIIC-DOMZBBRYSA-N 280.799 3.555 30 20 CHED C=C(C)CCc1noc([C@H](C)c2cccc([N+](=O)[O-])c2)n1 568327075 JNMSPOKOIGBIMM-LLVKDONJSA-N 287.319 3.638 30 20 CHED C=CCC(F)(F)C(=O)NCCCc1ccc(Cl)cc1 815178614 GLWNLXURRUTTTH-UHFFFAOYSA-N 287.737 3.600 30 20 CHED C=CCC1(C(=O)Nc2ccc(C#N)cc2OC)CCCC1 565703585 URRJMNRGTBCEIN-UHFFFAOYSA-N 284.359 3.642 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cn(CC)c2ccccc12 489863454 ZEFHHOJIFRRJGB-UHFFFAOYSA-N 298.430 3.922 30 20 CHED C[C@@H]1[C@@H](NCc2ccc(C#N)s2)C[C@H]1c1ccccc1 561566037 NFQLECQAIIFDNS-VUCTXSBTSA-N 282.412 3.902 30 20 CHED C1CCC2(CCCC2)C(=NOC2CCOCC2)C1 814907449 KALCPWPXDJQVGE-UHFFFAOYSA-N 251.370 3.672 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCC2)cc1 567105779 ILKXRBQOTMHWLZ-JKSUJKDBSA-N 297.402 3.798 30 20 CHED C=CCCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 564802480 ATXGACPLVSWDQB-LLVKDONJSA-N 276.336 3.954 30 20 CHED COc1ccc(-c2ccncc2)cc1C=NOCCC1CC1 814247179 VDROIGXFZNNRCQ-UHFFFAOYSA-N 296.370 3.908 30 20 CHED C[C@H]1/C(=C\c2cn(C)nc2C(F)F)C(=O)c2ccccc21 812242332 PGFROFMCQKXZAJ-MRACZJACSA-N 288.297 3.741 30 20 CHED C#CCCCCNC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 814311961 OEMJCRNDWFSZLY-GOSISDBHSA-N 298.430 3.551 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)C1(F)CCCCC1 811914936 XGHFYYHBZFBDGT-LBPRGKRZSA-N 290.338 3.588 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)NCC#Cc1ccccc1 487690314 PBZVYDMABXQIII-SJLPKXTDSA-N 298.430 3.648 30 20 CHED COc1cc(C(C)=NNc2ccccc2C(F)(F)F)on1 814688649 HFIYCXWCEWCULM-UHFFFAOYSA-N 299.252 3.538 30 20 CHED C=CCCCCCCCNC(=O)c1c[nH]c2ncccc12 811590193 SEEMFFZKBLSUOD-UHFFFAOYSA-N 285.391 3.819 30 20 CHED CCCCCCC[C@H](C)NCCc1nccnc1C 816651440 HSDDWJQTHTYDML-AWEZNQCLSA-N 263.429 3.666 30 20 CHED C=CCN(C(=O)c1ccc(C(C)(F)F)cc1)C(C)C 814112046 ZEXCSIRTRRPHTK-UHFFFAOYSA-N 267.319 3.835 30 20 CHED Fc1cc(F)cc(NN=C2CC[C@H]2C2CCC2)c1 814813776 YXTDFQQVRRGLOS-ZDUSSCGKSA-N 250.292 3.943 30 20 CHED CC(=NNc1cccc(F)n1)c1cccc(C2CC2)c1 814927944 OIWCMIFXUFIPKY-UHFFFAOYSA-N 269.323 3.934 30 20 CHED N#C[C@H](C(=O)/C(F)=C/C1CCCCC1)c1ccccn1 815907198 VIPPLRRJEAWKOS-ODUNQGDFSA-N 272.323 3.692 30 20 CHED Cc1cc(C#N)cnc1C(=O)Oc1ccc2ccccc2c1 814813379 CUZTUVIJUZBULW-UHFFFAOYSA-N 288.306 3.634 30 20 CHED COCCC(C)=NNc1cc(Cl)cc(Cl)c1 814913090 KFHQKNVVUQVORU-UHFFFAOYSA-N 261.152 3.818 30 20 CHED CCCC[C@@H](CC)CC(=O)N[C@](C)(C#N)CCSC 573998616 GVHCQUVGRNSXFB-HIFRSBDPSA-N 284.469 3.744 30 20 CHED C=CCOc1cccc(CNCCc2ncc(C)cc2C)c1 655826267 FZVNPMNPKAFQED-UHFFFAOYSA-N 296.414 3.596 30 20 CHED CO[C@H]1C[C@H](c2ccccc2)CCC1=NOCCSC 814922158 WYXAUDPNHVBJKI-ZBFHGGJFSA-N 293.432 3.705 30 20 CHED C=CCN(C(=O)C[C@](C)(O)c1ccccc1)c1ccccc1 819985200 GJJNKQSJSQQQLA-IBGZPJMESA-N 295.382 3.503 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 480618922 FCUYBYHCZIXVJZ-STQMWFEESA-N 264.413 3.647 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)c1cccc(CC#N)c1 487275935 ZXDFUHWIVHWHFP-AWEZNQCLSA-N 284.403 3.841 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCCN1CCCCCC1=O 657822266 YOEIAQMRMWQPML-IAGOWNOFSA-N 292.467 3.504 30 20 CHED COc1cccc(NN=C(C)c2cc(C)oc2C)c1 725853428 RAGYUYBEBMLAGI-UHFFFAOYSA-N 258.321 3.741 30 20 CHED Cc1ccc([C@@H](C)N(C)c2ccnc(C#N)c2)c(C)c1 571546973 AQPJGWBWGLOODP-CQSZACIVSA-N 265.360 3.768 30 20 CHED Cc1cccc2c1CC[C@H]2Nc1ccc(C#N)c([N+](=O)[O-])c1 573497952 OMAUXYYSBIQCKL-MRXNPFEDSA-N 293.326 3.874 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCc1ccccc1Cl 495133222 QUYPKPKJCRFYPS-AWEZNQCLSA-N 292.810 3.633 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(SC)cn1 666649986 KQLJBGICAHGJKS-UHFFFAOYSA-N 279.409 3.670 30 20 CHED C=CCC1(N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 827145999 AQEDDYPPKVMXAE-OLZOCXBDSA-N 291.357 3.822 30 20 CHED C=CCOCC(=O)O[C@H](CC)c1ccc(Cl)cc1 729894662 PCSRKVFOLCNXSL-CYBMUJFWSA-N 268.740 3.537 30 20 CHED CC(C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 493937682 SGJWJRAZFQDMKV-UHFFFAOYSA-N 280.327 3.945 30 20 CHED Cc1cc(CN2CCC(C#N)CC2)ccc1N1CCCCC1 827589000 ULZUPNDUAADRKV-UHFFFAOYSA-N 297.446 3.721 30 20 CHED COC1(C/N=C\c2c(O)ccc3ccccc23)CCC1 588409912 LPHQJAYZRYWKHA-WQRHYEAKSA-N 269.344 3.533 30 20 CHED C=CCCCCCN1[C@@H](C)[C@@H](C(=O)O)[C@@H](C)C[C@H]1C 903950554 QRGCUEOLALSSJQ-XGUBFFRZSA-N 267.413 3.552 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1c(C)cc(OC)cc1C)OCC 824102491 LZLSKQXZCHCPFC-OAHLLOKOSA-N 292.375 3.589 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H]1c2ccccc2O[C@H]1C 664912609 LTMXPOHACQVQHU-WFASDCNBSA-N 288.391 3.553 30 20 CHED CCn1cc(/C=C\C(=O)c2ccc(CC(C)C)cc2)cn1 732529092 OOEBNPHQJPYCTA-YFHOEESVSA-N 282.387 3.998 30 20 CHED C=C(Cl)CNC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 738477878 UVOWUEOLPNGGTO-ZIAGYGMSSA-N 292.810 3.635 30 20 CHED C[C@@H]1CN(c2ccnc(C#N)c2)CC[C@@H]1c1ccccc1 587985903 AZVOGWWGSBJDFO-KDOFPFPSSA-N 277.371 3.583 30 20 CHED CC[C@@H](C)CCC(=O)NCc1ccc(C#N)c(Cl)c1 586815098 BANBREGAILCYEB-LLVKDONJSA-N 278.783 3.654 30 20 CHED C=CC[C@@H](NC(=O)N1CCCC[C@H]1CC)c1ccncc1 734680361 SIYPHVZTFTXSGK-HZPDHXFCSA-N 287.407 3.673 30 20 CHED C=CCCNC(=O)N1CCC(=Cc2cccc(F)c2)CC1 661572653 VHOZXXYBCGKEQJ-UHFFFAOYSA-N 288.366 3.591 30 20 CHED C#CCOc1cccc(NC(=S)Nc2ccc(C)cc2)c1 730951646 MGRVAVQDKWTUBD-UHFFFAOYSA-N 296.395 3.816 30 20 CHED CCC(=NNc1cc(C)ccc1C)c1ccncc1 834928590 AURIPSAZZOWEFO-UHFFFAOYSA-N 253.349 3.925 30 20 CHED C[C@]1(CC(=O)O[C@@H]2CCC[C@H](C#N)C2)CC1(Cl)Cl 839056860 LADWMYHIOMOTCR-UMNHJUIQSA-N 290.190 3.586 30 20 CHED C=C(C)CSCc1coc(-c2ccc(C(=O)O)cc2)n1 833369723 CHLSRGBZZMYQMP-UHFFFAOYSA-N 289.356 3.849 30 20 CHED CC[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)C(F)(F)F 835656688 JSGNUTAQLOUNKR-LBPRGKRZSA-N 299.292 3.985 30 20 CHED CCCCCC[C@@H](CC)C(=O)N(C)C[C@@H](C)C#N 735039947 IGIDLNKSFZLYII-UONOGXRCSA-N 252.402 3.601 30 20 CHED C[C@@H]1CC(C)(C)CN1Cc1cc(Cl)ccc1OCC#N 839661523 XNRYSVXALXVSIV-GFCCVEGCSA-N 292.810 3.863 30 20 CHED C=C(C)[C@@H](CC(=O)OCC1CCC(F)(F)CC1)OCC 837599056 YZTOLGXJRGAVPU-CYBMUJFWSA-N 290.350 3.726 30 20 CHED C#CC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 733979193 UVENCRZAKFDONW-GHMZBOCLSA-N 296.197 3.625 30 20 CHED C=C(C)C[C@H](NC/C=C\c1c(C)cc(C)cc1C)C(=O)O 901682946 YHAASMXMDVSWBY-TUYSUELWSA-N 287.403 3.634 30 20 CHED CCCN(C(=O)CC(C)(C)C#N)c1ccc(CC)cc1 836850416 FKUQRLPEHISDDB-UHFFFAOYSA-N 272.392 3.932 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC1CC2(CCC2)C1 839003966 CLNJKOLEGUEZHR-LBPRGKRZSA-N 256.349 3.722 30 20 CHED CSc1cccc(F)c1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839451010 XAVLDLACWFBMMA-WDEREUQCSA-N 293.363 3.787 30 20 CHED CC1(C#N)CCC(=NNc2cc(Cl)ccn2)CC1 834971429 WRIAXJSAFFIPJC-UHFFFAOYSA-N 262.744 3.607 30 20 CHED CC[C@H](C(=O)N(C)c1ccc(C#N)cc1F)c1ccccc1 589763699 QRGSGNMBUFYLNU-HNNXBMFYSA-N 296.345 3.854 30 20 CHED C#CCOc1ccc(CN[C@H](C)CCc2ccccc2)cc1 733322155 NRYJUSKRYIKVOW-QGZVFWFLSA-N 293.410 3.810 30 20 CHED Cc1cc2sc(C(=O)NC3(C#N)CC3)c(C)c2cc1C 581859905 VEJLHHFFCMFFBP-UHFFFAOYSA-N 284.384 3.613 30 20 CHED C#CC1CCN(C(=O)Nc2ccccc2CCC)CC1 831183931 HSZGHCDIPRTPOI-UHFFFAOYSA-N 270.376 3.516 30 20 CHED CC1=CC[C@@H](NCc2ccc(C#N)c(Cl)c2)CC1 585726441 CHWMSXGXVOPAMQ-CQSZACIVSA-N 260.768 3.800 30 20 CHED Cc1cccc(C)c1N=C1NN=C(C(C)C)CS1 730816308 QWPQXUNUCKSTNA-UHFFFAOYSA-N 261.394 3.639 30 20 CHED Cc1ccc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)cc1C#N 837192133 QZSMOEWZSAKEAU-KRWDZBQOSA-N 296.414 3.908 30 20 CHED N#Cc1ccc(-c2ccc(OC[C@@H]3CCCO3)cc2)s1 592987779 BQSFYLJNCLBVCH-AWEZNQCLSA-N 285.368 3.845 30 20 CHED CC(C)(C)n1cc(CSc2cccc(F)c2C#N)cn1 594898023 NARQFPYZVZPBKU-UHFFFAOYSA-N 289.379 3.941 30 20 CHED C=C[C@H](C)NC(=O)c1sc2cc(F)ccc2c1Cl 674955179 CRVJZJPFNDJYCV-ZETCQYMHSA-N 283.755 3.998 30 20 CHED C=CCC1(NC(=O)/C=C/c2scnc2C)CCCCC1 836957759 XVAFIFPOJXAORC-BQYQJAHWSA-N 290.432 3.860 30 20 CHED N#C[C@H](c1ccccc1)N1CC[C@@H](c2ccccc2)C1 595297306 QWGJNTFSMYTLGS-QZTJIDSGSA-N 262.356 3.741 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(C)(C#N)CC2)cc1C 597486858 OJEZJWSXLKMHSX-DLBZAZTESA-N 296.414 3.559 30 20 CHED Cc1ccc(F)c(NC(=S)NN=Cc2cccs2)c1 745006397 UOKCDHKGCRUSBT-UHFFFAOYSA-N 293.392 3.516 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC2(CCC2)CC1 672487127 MSNVXNNCIJPKEH-AWEZNQCLSA-N 264.413 3.707 30 20 CHED CCc1ccc(C(=O)/C=C\c2cc(COC)cs2)o1 849246761 KSQTZQZBYBZLAL-WAYWQWQTSA-N 276.357 3.946 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C/C=C/c1ccccc1 746679252 BFBCDXNMTZLPJF-UKNXVJMESA-N 297.314 3.715 30 20 CHED C[C@@H](C(=O)N(CC#N)C1CCCC1)c1ccc(Cl)cc1 593070609 OBKJOOWTBGTESS-GFCCVEGCSA-N 290.794 3.738 30 20 CHED CCC[C@@H](C(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 597489720 LVYFDYSZTKANCR-CQSZACIVSA-N 292.810 3.890 30 20 CHED CC(C)C(C=NNc1ccc(CC(=O)O)cc1)C(C)C 848413950 FULPDRYIANYOEO-UHFFFAOYSA-N 276.380 3.640 30 20 CHED CS[C@@H]1CC[C@@H](/N=C\c2cc(Cl)ccc2O)C1 743042220 IAVPTAOXFWYHAF-WWISCJFESA-N 269.797 3.749 30 20 CHED C=CCCSCCNC(=O)Nc1cc(C)cc(C)c1 596451088 PQOGXTRKHXFUGY-UHFFFAOYSA-N 278.421 3.734 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 847043807 MWNJNIGPIDVVQG-SFHVURJKSA-N 296.414 3.856 30 20 CHED Cc1cc(CSCc2cc(F)ccc2C#N)nc(C)n1 596375688 KYJHCGWQOOWBKD-UHFFFAOYSA-N 287.363 3.538 30 20 CHED CCC[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 597917435 BSYBPPOGUOPWDP-WBVHZDCISA-N 284.403 3.723 30 20 CHED O=C1CCc2cc(C(=O)/C=C/c3cccs3)ccc2N1 915993369 OMOYEKCQGFXUDJ-FNORWQNLSA-N 283.352 3.529 30 20 CHED C=CCC[C@H](NC[C@@H](C)C(=O)OC(C)(C)C)c1ccco1 594508376 BNMKSYMNXAICAG-KGLIPLIRSA-N 293.407 3.854 30 20 CHED CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc(F)cc1 742368268 BODYBGXEBUFVDH-KRWDZBQOSA-N 298.361 3.947 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1CCC(N2CCCCC2)CC1 925229152 MLEPTVRZCLWBOV-GTPINHCMSA-N 291.483 3.701 30 20 CHED CCCCCCCC(=O)OCc1ncc(CC)o1 744767463 DUSVNJBCPJUDHM-UHFFFAOYSA-N 253.342 3.641 30 20 CHED N#CCc1cccc(C(=O)O[C@H]2CCc3ccc(F)cc32)c1 747896614 OZXYPLFJVBAJOV-KRWDZBQOSA-N 295.313 3.736 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1c(Cl)cnn1C)C2=O 848642304 DCLVZSITDODOHV-KPKJPENVSA-N 286.762 3.513 30 20 CHED C[C@@H](NN=Cc1ccc(-n2cccn2)cc1)c1ccccc1 920382234 DXBADPDYZSBJEG-OAHLLOKOSA-N 290.370 3.557 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H]2C[C@H]2c2ccccc2)o1 755675530 YQXJABPMFNRZBV-KBPBESRZSA-N 294.358 3.871 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC(=O)c2ccccc21 851203795 FOLZHIJAURGSEU-IUODEOHRSA-N 299.370 3.618 30 20 CHED COc1cccc(C=Nc2cc(Cl)ccc2F)c1O 920944293 ALZDJXRPMZGLNP-UHFFFAOYSA-N 279.698 3.944 30 20 CHED C=CCC1(c2nc(Cc3ccc4c(c3)CCO4)no2)CCC1 685269252 XIJQRGIEZKPKBH-UHFFFAOYSA-N 296.370 3.593 30 20 CHED C=C[C@@H](CC(=O)N(OC)C1CCCC1)c1ccccc1 757657494 MAEZYDQAXZYFLG-AWEZNQCLSA-N 273.376 3.679 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cnc2ccsc2c1 851209083 IFKDKDWXZUMVIO-JTQLQIEISA-N 288.372 3.781 30 20 CHED C=C(C)COC(=O)CCCCOc1cccc(C)c1 920674696 FYSLJVORURHZGI-UHFFFAOYSA-N 262.349 3.663 30 20 CHED Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(C)(C)C#N 753612888 JRPPRDKSWIFQMN-GFCCVEGCSA-N 298.342 3.745 30 20 CHED Cc1cc(F)ccc1/C=C1\Oc2cc(O)cc(C)c2C1=O 750914145 SCPOLCPFCSYXLD-CHHVJCJISA-N 284.286 3.764 30 20 CHED C#Cc1cccnc1NCc1ccccc1N1CCCCC1 853471324 JMMRBOFBZMYOFX-UHFFFAOYSA-N 291.398 3.665 30 20 CHED COCc1csc(C=NNc2cc(C)ccc2C)c1 853275092 CHHJJQWHLBCMLZ-UHFFFAOYSA-N 274.389 3.957 30 20 CHED CCC(CC)c1cc(CN[C@@H](C)CC(C)(C)C#N)on1 925155963 LCIQXDHVGNJZRK-LBPRGKRZSA-N 277.412 3.996 30 20 CHED CC(C)(CC/N=C/c1ccc(O)c(O)c1O)c1ccccc1 920177835 LJMXPIJUHWEEDS-XDHOZWIPSA-N 299.370 3.590 30 20 CHED CCN(CC)c1ccc(/C=N\C2CCCC2)c(O)c1 920942410 CDCKPFZNJISKPH-ATVHPVEESA-N 260.381 3.600 30 20 CHED C[C@@H](C#N)Oc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 758453405 HZULSXSODFEKDG-VIFPVBQESA-N 299.280 3.799 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2cc(O)ccc2O)c1 757467262 CIZGHXFDQPVCJD-VURMDHGXSA-N 296.322 3.559 30 20 CHED C#CC[C@H](NC(=O)CC1=CCCCC1)c1ccccc1 757594220 AMKWJZHDFLWLDK-KRWDZBQOSA-N 267.372 3.758 30 20 CHED Cn1c(NN=C[C@H]2C[C@H]2c2ccccc2)nc2ccccc21 755647956 HEJMASHHIGJFOQ-CABCVRRESA-N 290.370 3.775 30 20 CHED Cc1nn(C)cc1/C=C\C(=O)c1cc2c(s1)CCCC2 755598111 DOACGWOVGLCHMG-FPLPWBNLSA-N 286.400 3.565 30 20 CHED COc1cc2c(cc1/C=C/C(=O)c1cccc(C)c1)OCO2 758912815 YPKUVQYRQWJUBK-VOTSOKGWSA-N 296.322 3.628 30 20 CHED CCCn1nccc1/C=C1/C(=O)c2ccccc2[C@@H]1C 853007790 DWHMXCQANBVEIK-JASJWYONSA-N 266.344 3.677 30 20 CHED CCCCOC(=O)c1ccc(C(F)(F)F)cc1C#N 757883803 QJRSNLAXDSEZSX-UHFFFAOYSA-N 271.238 3.534 30 20 CHED CCCCCCCCC(=O)N1CCOCC2(CCC2)C1 759292963 HMWNIQVDAIJPBU-UHFFFAOYSA-N 281.440 3.766 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(C)cc1CN(C)C 932806214 QEAWRMKOKAHOTH-CQSZACIVSA-N 274.408 3.597 30 20 CHED C=CC[C@@H]1N(C(=O)CCc2cc(C)on2)CCCC1(C)C 935675839 XKHVIPRATUVZSZ-HNNXBMFYSA-N 290.407 3.509 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@](C)(C#N)CCc1ccccc1 932438119 HSEQVOHPBMGATJ-MAUKXSAKSA-N 284.403 3.620 30 20 CHED C[C@@]1(C(=O)OC[C@@H](C#N)Cc2ccccc2)C[C@H]2CC[C@H]1C2 860592090 KEZPVEFHIVXUFH-MJQMVNBJSA-N 297.398 3.738 30 20 CHED CCC(CCc1ccccc1)=NOC1CCOCC1 863108213 MJLHEGSUVWJLAU-UHFFFAOYSA-N 261.365 3.581 30 20 CHED COc1cccc(C)c1NCCCOc1ccc(C#N)cc1 766764865 KFGCTXIDVNJKMK-UHFFFAOYSA-N 296.370 3.756 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNc1nccnc1Cl 769586466 PUTCOQLJPOJVJX-NXEZZACHSA-N 266.776 3.744 30 20 CHED CCC/C(C)=C\C(=O)Nc1nc2cc(C#N)ccc2n1CC 764513976 NFEKFDCLDAKHRW-XFXZXTDPSA-N 296.374 3.613 30 20 CHED Cc1ccc(C=NNc2cccc(C(F)(F)F)c2)nc1 761792832 HIALIBIQNCTZAB-UHFFFAOYSA-N 279.265 3.855 30 20 CHED Cc1n[nH]c(C)c1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 763290680 SFXFXOLCKNEJCS-WFSQQTBHSA-N 278.355 3.726 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2nncc3ccccc23)C1 768352897 TVNSPBBFZRCJQF-QWHCGFSZSA-N 268.364 3.854 30 20 CHED Cc1sc(/C=C/c2cccc(C#N)c2)cc1C=O 760266388 UGOZGLDAXFJDLD-AATRIKPKSA-N 253.326 3.911 30 20 CHED C=C(Cl)CNC(=O)Nc1c(C)cccc1Cl 767990654 PLSRMNHMRBUPCZ-UHFFFAOYSA-N 259.136 3.522 30 20 CHED Cc1cc(OC(=O)[C@@H]2CCC(C)(C)C2)ccc1C#N 765117403 FFUCYAMVIOTZPA-GFCCVEGCSA-N 257.333 3.598 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)[C@H]1C[C@@]12CCCc1ccccc12 765630182 SOBDCWLHHVIQBQ-JTDSTZFVSA-N 297.398 3.762 30 20 CHED CCCOc1cc(F)ccc1NC(=O)C#Cc1ccccc1 760120566 KRWJDYJTVZDLFE-UHFFFAOYSA-N 297.329 3.605 30 20 CHED Cc1ccc(OC(=O)C2(c3cccc(C#N)c3)CC2)c(C)c1 1116326984 HOEVKXGJNSMOEQ-UHFFFAOYSA-N 291.350 3.812 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CC2(CCC2)Oc2ccccc21 877095179 PFAWZTAKTOFMTK-GDBMZVCRSA-N 284.403 3.962 30 20 CHED CON=Cc1ccc(-c2nc(-c3cscc3C)no2)cc1 771527613 UUMXCPSYTJDAEG-UHFFFAOYSA-N 299.355 3.754 30 20 CHED C#CCCCCCC(=O)Nc1cc(Cl)ccc1OC 779705362 DBWAMVXUOAMLBA-UHFFFAOYSA-N 279.767 3.871 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(C(=O)O)c1)CC2 774135727 MITBWDATEAQVCE-GDNBJRDFSA-N 292.334 3.906 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1c(F)cccc1F 878145463 OBRZQAQUXNIHNU-JTQLQIEISA-N 267.319 3.744 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(Cl)cn1 775527233 PKGFDLNODQJLNK-JTQLQIEISA-N 289.741 3.597 30 20 CHED C[C@H](NC(=O)NCCCCC#N)c1ccc(Cl)c(F)c1 1116427648 XPNDURRGXLQUPE-JTQLQIEISA-N 297.761 3.533 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(F)nc2)cc(C)c1F 777468144 VTUJQJBTIMWPPV-HWKANZROSA-N 273.282 3.873 30 20 CHED C=C(C)CN(C)C(=O)/C=C/c1cc(C)c(C)cc1C 778127312 XHGHJYXDJZZKGU-BQYQJAHWSA-N 257.377 3.660 30 20 CHED CC(C)c1nccnc1NN=C[C@H]1CCCC[C@@H]1C 773085134 FJRFQIWQRPGFEK-QWHCGFSZSA-N 260.385 3.824 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C\c1cc(Cl)cc(Cl)c1 1116688236 KKXFNOGYXNAIMO-MVZIDQBPSA-N 284.142 3.852 30 20 CHED C#C[C@H](C)NC(=O)N(CCCC)[C@@H](C)c1ccccc1 773598428 UWRMIKQWWRSPBG-GJZGRUSLSA-N 272.392 3.581 30 20 CHED Cc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)c(C)o1 776356628 HHEXSNRWUCETLP-AWEZNQCLSA-N 261.321 3.526 30 20 CHED CC(C)CN(CCC#N)Cc1cc(Cl)cc(F)c1O 775642467 DRSLNDDZBBXFAF-UHFFFAOYSA-N 284.762 3.556 30 20 CHED C#CCSCCN[C@H](CC)c1ccccc1OC(F)F 773010931 PCJIEEUYFBKFMT-CYBMUJFWSA-N 299.386 3.695 30 20 CHED Fc1cccc(F)c1-c1n[nH]cc1C=NOC1CCCC1 774608391 LUPGZAFVQXETQL-UHFFFAOYSA-N 291.301 3.648 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3CCCC3(C)C)[nH]c12 774104317 RBPZJHSOISFFDS-STQMWFEESA-N 295.386 3.874 30 20 CHED C=C(C)CCC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 1121182556 ZGDZYIYUAINQPQ-HNNXBMFYSA-N 289.423 3.827 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 779929696 HRRKAHDBMGFEBQ-WMZOPIPTSA-N 283.415 3.975 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccc(C)cc1Cl 773712630 SAGYJDLXLPPUML-HNNXBMFYSA-N 263.189 3.650 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1ccc(C(C)(C)C)cc1 1123234101 QXSMDQSGRHSIPJ-OAHLLOKOSA-N 295.386 3.691 30 20 CHED C#CC[C@H](N[C@H](C)c1cnc(C)s1)c1ccccc1 773113842 FTOIEYVOKCFNBW-DOMZBBRYSA-N 270.401 3.867 30 20 CHED CC(C)(C)c1csc(NC(=O)NOC2CCC2)c1C#N 888225700 CYTDMCFJZOKJNZ-UHFFFAOYSA-N 293.392 3.523 30 20 CHED C/C(C=NOCc1cccnc1)=C\c1cccc([N+](=O)[O-])c1 787163604 SQIYNMIOKORWCR-UKKLFRIJSA-N 297.314 3.596 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1sccc1Cl 785917147 ZGLDXDVHOXOYKE-ZDUSSCGKSA-N 288.796 3.674 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2cccc3cnccc23)s1 782226028 OBENRMARBDLNIU-UHFFFAOYSA-N 298.327 3.651 30 20 CHED CC#CCCCC(=O)OC[C@@H]1CCC2(CCCCC2)O1 786312421 YZBGTNOCKFOXAU-HNNXBMFYSA-N 278.392 3.605 30 20 CHED C[C@H]1CC[C@@H](C(=O)OCc2ccc(C#N)cc2Cl)C1 784241372 JWLCZSSJOXVMBO-CMPLNLGQSA-N 277.751 3.691 30 20 CHED CC(C)(C#N)CCCOC(=O)C(C)(C)c1ccc(F)cc1 783462737 WIYAKCMJEJAGRJ-UHFFFAOYSA-N 291.366 3.976 30 20 CHED CCc1ccccc1COC(=O)c1ccccc1CC#N 782250964 ZQJWAGNNROSQEF-UHFFFAOYSA-N 279.339 3.672 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2Cc3ccccc32)c(Cl)c1 784229148 CCAKHAGXRGEXPE-OAHLLOKOSA-N 297.741 3.595 30 20 CHED Cc1cccc(C)c1C(=O)Nc1ccccc1O[C@H](C)C#N 780170447 UZWZBQIWDLDLHG-CQSZACIVSA-N 294.354 3.847 30 20 CHED CCCCCCCOC(=O)[C@H]1CC(=O)c2ccccc21 789296145 MZVXOXUKWZKUEZ-HNNXBMFYSA-N 274.360 3.870 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCOC2(CCC2)C1 890920336 QRPOEHPTHYXIJM-OAHLLOKOSA-N 279.424 3.588 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1C(F)F 1130162173 JEGAYINTCUNLIA-UHFFFAOYSA-N 276.242 3.650 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCCCCCSC 787312053 ICSLNYWDVGTBPX-CQSZACIVSA-N 284.469 3.660 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 787309666 KZYBSPLEMDNCOJ-GFCCVEGCSA-N 280.755 3.789 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3cccnc3)C2)c(Cl)c1 894346144 IAWUKGLVQAIPAX-CQSZACIVSA-N 283.762 3.601 30 20 CHED C=CCCCC(=O)Nc1cnc(Cl)cc1Cl 891003642 YCOHMFJOJDTJRD-UHFFFAOYSA-N 259.136 3.683 30 20 CHED CC[C@@H](C)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 790182961 HYJCVVVTJASOGJ-LLVKDONJSA-N 287.319 3.577 30 20 CHED Cc1nsc(N(C)C(=O)[C@@H]2CCCCC2(C)C)c1C#N 891429134 YQJLZRQIJMHLFH-LBPRGKRZSA-N 291.420 3.502 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1ccc2ccccc2c1 794692051 UEHFQONQOREOCU-KTKRTIGZSA-N 276.339 3.778 30 20 CHED c1ncc(NN=C2CCC3(CCCCC3)CC2)cn1 794976114 DLTOESYVGKJYAD-UHFFFAOYSA-N 258.369 3.769 30 20 CHED CC[C@@H](C)CON=CC(C)(C)N(C)C(=O)OC(C)(C)C 793163253 IAABIMRWJLVZRB-GFCCVEGCSA-N 286.416 3.680 30 20 CHED CC[C@H](C)NN=C(C)c1cc(Cl)c(N)c(Cl)c1 790182836 LXVPKCSZAFTNAP-ZETCQYMHSA-N 274.195 3.688 30 20 CHED FC(F)Sc1ccc(C=NNCCC(F)(F)F)cc1 794545168 HPEBECWIFKAAEK-UHFFFAOYSA-N 298.280 3.877 30 20 CHED FC(F)(F)CCNN=C1CCc2c(Cl)cccc21 794553304 PBJWDDHZHRGJGA-UHFFFAOYSA-N 276.689 3.532 30 20 CHED C[C@H]1/C(=C/c2cccs2)C(=O)c2c(O)ccc(F)c21 18917350 DRERAFXZSPYLHA-LRUQUBRESA-N 274.316 3.976 30 20 CHED N#Cc1ccc(NCCc2coc(-c3ccccc3)n2)cc1 1318131931 XKDIGLUCFHOCOQ-UHFFFAOYSA-N 289.338 3.868 30 20 CHED Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1C 75913711 JZUFNUVOVMPTJQ-UHFFFAOYSA-N 268.291 3.567 30 20 CHED Cc1ccc(NN=Cc2cn3ccccc3n2)cc1Cl 1317927433 OOWOGXHGXGDAFU-UHFFFAOYSA-N 284.750 3.742 30 20 CHED Cc1cc(C)nc(COc2cc(Cl)cc(C#N)c2)c1 723626807 JFMMULUHAZSXNE-UHFFFAOYSA-N 272.735 3.803 30 20 CHED CCCCCCCN1CCn2c(nnc2C2CCCC2)C1 1324113487 FRTRXYJRYDGUJH-UHFFFAOYSA-N 290.455 3.722 30 20 CHED N#Cc1c(Cl)cccc1NC[C@@H]1CCCS1 87668863 SAEDFFJHZWPWTH-VIFPVBQESA-N 252.770 3.519 30 20 CHED COC(=O)CC1CCC(=NNc2ccccc2Cl)CC1 1329192079 RUHIUBRSNNZVLH-UHFFFAOYSA-N 294.782 3.861 30 20 CHED N#CCCCC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 1327647004 IDECNQWLTLCFTJ-WMZOPIPTSA-N 282.387 3.608 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(Cl)cc(Cl)c2N)C1 602608380 MSGVQVFOQGQQLT-AWEZNQCLSA-N 298.217 3.701 30 20 CHED Cc1cc(-c2cc(Cl)cc(Cl)c2)[nH]c(=O)c1C#N 95835650 FWNBPRPZWBGAFT-UHFFFAOYSA-N 279.126 3.529 30 20 CHED CC(C)(C)[C@@H](NC(=O)CC#Cc1ccccc1)C(F)(F)F 1323875550 GIGWLDLULZQGNX-CQSZACIVSA-N 297.320 3.521 30 20 CHED N#Cc1ccc(N[C@H]2CCOc3ccc(F)cc32)cc1 301168407 FLRNBJBONQDNKA-HNNXBMFYSA-N 268.291 3.633 30 20 CHED CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1cccc(OCC#N)c1 1326916220 REMQRKIUFHYYBI-LESCRADOSA-N 286.419 3.893 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H]3CCCC[C@H]3C2)c1C#N 1320030158 POOMDFRAGFJDPO-STQMWFEESA-N 289.810 3.932 30 20 CHED CCCCCCCCN1CCN(CC(F)(F)F)CC1 192938912 WJHIWBRQHSAUBK-UHFFFAOYSA-N 280.378 3.527 30 20 CHED CC(C)CC1(C)CCN(C(=O)c2csc(C#N)c2)CC1 1324502028 DYAFORYFJOOYON-UHFFFAOYSA-N 290.432 3.908 30 20 CHED Cc1cc(N2CCC3(CCCCC3)CC2)ncc1C#N 1186964727 LSRRQBFKKZORND-UHFFFAOYSA-N 269.392 3.812 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1coc(-c2ccccc2)n1 1339982163 XQSLPZKEOLAXJF-AWEZNQCLSA-N 297.402 3.802 30 20 CHED CC(Cc1c(Cl)cccc1Cl)=NNc1ccn(C)n1 1330328719 OZFUDKRJPHBFKA-UHFFFAOYSA-N 297.189 3.757 30 20 CHED C=C[C@H](CC(=O)N[C@H](C#N)C1CCCC1)c1ccccc1 1331552462 NBAWDMJCZTUWQM-RHSMWYFYSA-N 282.387 3.545 30 20 CHED CCCCCCCCN[C@@H](c1nccn1C)C1CC1 775629342 HOYADKVZBMQEKC-OAHLLOKOSA-N 263.429 3.821 30 20 CHED N#Cc1sc(NCCCOC2CCCCC2)nc1Cl 787894350 KOWSFTLCIXKHJR-UHFFFAOYSA-N 299.827 3.819 30 20 CHED Cc1cccc([C@@H](C)C(=O)O[C@H](CC#N)c2ccco2)c1 1345547382 KYPIJFYPTZKQBU-CZUORRHYSA-N 283.327 3.890 30 20 CHED CCc1ccc(F)cc1C(=O)N(C)Cc1ccc(C#N)cc1 1350033709 PVLQINDGYDPUFW-UHFFFAOYSA-N 296.345 3.532 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)CCCC#N)c1cccs1 1519367086 PGEOMSWXSOVXFN-SMDDNHRTSA-N 276.361 3.576 30 20 CHED CCOC(=O)[C@@H](CC(C)C)Sc1cccc(F)c1C#N 1459107918 JRFGSDLGONHLOJ-CQSZACIVSA-N 295.379 3.767 30 20 CHED Cc1cc(N(C)CCc2ccc(Cl)cc2)ncc1C#N 1458297332 KFCKKEFSZDOZBD-UHFFFAOYSA-N 285.778 3.594 30 20 CHED CCc1cccc(N(C)C(=O)c2ccc(F)c(C#N)c2)c1 1527727187 ZFJKRJPZFXYCJK-UHFFFAOYSA-N 282.318 3.536 30 20 CHED C=C(C)CCC(=O)Nc1ccc(C(=O)O)c2ccccc12 1602760601 BOMXOZUSGPUCDC-UHFFFAOYSA-N 283.327 3.833 30 20 CHED CCOc1ccc(C#N)cc1NC[C@@H]1C[C@H]2CC[C@H]1C2 1461562698 CUOGJINVPRMLOX-QEJZJMRPSA-N 270.376 3.805 30 20 CHED CC(C)(C#N)C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 1535361051 ZSONTVLEWKCJPC-AWEZNQCLSA-N 284.403 3.788 30 20 CHED N#Cc1ccc(COc2ccc(Br)cc2)s1 1472927344 UGJMSVXDDMNSHO-UHFFFAOYSA-N 294.173 3.961 30 20 CHED COC[C@@H](Sc1c(C#N)cccc1C#N)c1ccccc1 1613008676 DRNGOJSBYGIUKE-MRXNPFEDSA-N 294.379 3.910 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1cn2ccccc2n1 1644018054 LNJHLULXRBNNGS-UHFFFAOYSA-N 297.745 3.747 30 20 CHED Cc1cc(NCc2ccc(-c3cnco3)cc2)ncc1C#N 1640499499 PHKUNVOZJGIWIL-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=C(Cl)COc1ccc(OC)cc1C(F)(F)F 1644087209 HMMOVQPUIGKDGN-UHFFFAOYSA-N 266.646 3.845 30 20 CHED Cc1cccc2nc(N3CCc4ccc(C#N)cc43)oc12 1655346958 YUJIYMWKKIFCFH-UHFFFAOYSA-N 275.311 3.702 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)C1C[C@H]2CCC[C@H](C1)C2 1583640578 CMUVWTOHNMYRRG-KBPBESRZSA-N 294.398 3.664 30 20 CHED C=Cc1ccc(C=NNc2cccc(C(=O)O)c2C)cc1 1776090131 VUBKHLPURAARAL-UHFFFAOYSA-N 280.327 3.782 30 20 CHED C=C(Cl)C[C@H](NCc1ccc(C)c(C2CC2)c1)C(=O)O 1776142832 WNUAPBUPURDSGQ-HNNXBMFYSA-N 293.794 3.558 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@@H](C)c2cccc(F)c2)C1 1776153529 IJOJFYVTSQLRQR-GUYCJALGSA-N 291.366 3.630 30 20 CHED C=CCOc1ccc(CNCc2ccccc2OC)cc1 13720505 VAUFSGFMWHNCOB-UHFFFAOYSA-N 283.371 3.550 30 20 CHED Cc1cccc([C@@H]2CCCN2c2c(F)cc(C#N)cc2F)n1 150929753 MBMRHLSWQLFNGL-INIZCTEOSA-N 299.324 3.881 30 20 CHED C=CCCSCC(=O)Nc1cccc2c1N=S=N2 151977462 PLAHKQLDAVJPEP-UHFFFAOYSA-N 279.390 3.661 30 20 CHED COc1ccc(C#N)cc1CSc1ncc2ccccn12 152674258 ABNLHWVWVXMYBC-UHFFFAOYSA-N 295.367 3.507 30 20 CHED N#Cc1ccc(CNc2c(F)cccc2F)c(F)c1 20362852 IKADDCSXJFXRKP-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C[C@H](c1ccccc1)N1CC[C@H](C#N)C[C@@H]1C(F)(F)F 261507772 MDAREMSNHKFCJR-MBNYWOFBSA-N 282.309 3.914 30 20 CHED N#Cc1cc(F)cc(NC[C@H]2C[C@@H]2c2ccccc2)c1 1665454564 WHGQINSDWGITCW-RHSMWYFYSA-N 266.319 3.913 30 20 CHED C[C@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 251783772 UAFCAZZBOADJAD-ZFZWDLNGSA-N 254.377 3.645 30 20 CHED C[C@@]1(CNc2ccc(C(F)(F)F)c(C#N)c2)CCCO1 154054521 HUROAUYPFLXQTE-ZDUSSCGKSA-N 284.281 3.558 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)cc1)CC(C)(C)C 37307084 CODFRJRQDFRPEA-LBPRGKRZSA-N 258.365 3.959 30 20 CHED C#CCCCCC(=O)N[C@H](CCC)c1ccccc1 179684056 JUXVDZJVJKRUEV-MRXNPFEDSA-N 257.377 3.838 30 20 CHED CC[C@@H](CC(C)C)C(=O)N(C)c1ccc(C#N)cc1 308093244 VKZSJVVISRHAAC-AWEZNQCLSA-N 258.365 3.593 30 20 CHED CC[C@@H](O)[C@@H](CC)Nc1ccc(C#N)c(C(F)(F)F)c1 313113065 NAYYMBXKRVWNHP-CHWSQXEVSA-N 286.297 3.538 30 20 CHED CC(C)(C)OCCCNc1ccc(C#N)cc1Cl 610856907 NTNQLFYGKFIWOR-UHFFFAOYSA-N 266.772 3.829 30 20 CHED CCC(C)(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 467105964 HQHWRVYGRBPGMK-UHFFFAOYSA-N 264.756 3.976 30 20 CHED N#CCCC1CCN(C(=O)c2ccc(Cl)cc2F)CC1 335384762 LQUSEBFCENOUKB-UHFFFAOYSA-N 294.757 3.635 30 20 CHED N#Cc1ccccc1OCc1cnc2ccccc2c1 336826704 TYPFRCPXSMQHLA-UHFFFAOYSA-N 260.296 3.685 30 20 CHED Cc1cccc(CN(C)c2ncc(C#N)cc2Cl)c1 339140562 MPRXOXVHFMDCJP-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CCc1ccsc1C(=O)N[C@H](C#N)C1CCCCC1 93938139 CMAGYYRLMBJGNV-CYBMUJFWSA-N 276.405 3.513 30 20 CHED CCCCCCCNCc1ccc(C)c([N+](=O)[O-])c1 703777564 NLKHLSOLQRTXMQ-UHFFFAOYSA-N 264.369 3.963 30 20 CHED CC[C@@H](COc1cccc(F)c1C#N)CC(F)F 594893842 LOTZKCPXKWZCMZ-SECBINFHSA-N 257.255 3.758 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N1CCC[C@H](CC#N)C1 597900442 AMZLFFFAQXKZAC-HZPDHXFCSA-N 276.424 3.911 30 20 CHED CC(=NOCc1ccccc1)c1nc(C)sc1C 839421466 GSQKTIDAGSCPRW-UHFFFAOYSA-N 260.362 3.701 30 20 CHED C=CCCc1nc(-c2cc(Br)cs2)no1 109555539 QPTFRSXLPKTRFL-UHFFFAOYSA-N 285.166 3.679 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(OC(C)C)cc1 105003166 FJQIWONFUSSSGJ-UHFFFAOYSA-N 276.380 3.904 30 20 CHED Cc1cccc(N(C)C(=O)CCc2ccc(C#N)cc2)c1C 55896976 BUYFMEGXYOKQQG-UHFFFAOYSA-N 292.382 3.771 30 20 CHED N#C[C@H](NC(=O)CC1CCCCC1)c1ccc(Cl)cc1 106419932 WHWNHNMZQPBVHM-HNNXBMFYSA-N 290.794 3.991 30 20 CHED C=CCCO[C@@H](C)c1nc(CCc2ccccc2)no1 113746338 DLGWAGJYIHUJFZ-ZDUSSCGKSA-N 272.348 3.509 30 20 CHED C=CCCO[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 109612881 MICNHLNONNAGQB-LLVKDONJSA-N 292.766 3.968 30 20 CHED COc1cccc([C@@H](C)C(=O)Nc2cccc(C#N)c2C)c1 178633085 JYTHLHGBNXLNDW-CYBMUJFWSA-N 294.354 3.618 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2Cc2ccccc2)cc1 25439069 DKSPHTIQTPZFHB-IBGZPJMESA-N 276.383 3.765 30 20 CHED CCC1CCC(CNC(=O)Nc2ccc(C#N)cc2)CC1 60600786 XRVQTPCTIBBONN-UHFFFAOYSA-N 285.391 3.896 30 20 CHED CCC(C)(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 110397272 KILPXPYNNXENHF-UHFFFAOYSA-N 292.382 3.856 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)NC[C@@H](C)C#N)cc1 172351058 STOPUPSYPVYYFK-UONOGXRCSA-N 272.392 3.579 30 20 CHED CCc1ccc(NC(=O)Nc2cc(C#N)ccc2OC)cc1 502523575 WGCVDFLQSZEEHN-UHFFFAOYSA-N 295.342 3.773 30 20 CHED CN(Cc1cccc(C#N)c1)[C@H]1CCc2ccccc2C1 172276996 NEFDYMHJQUBKHJ-IBGZPJMESA-N 276.383 3.548 30 20 CHED C=CCOC(=O)/C=C/c1ccccc1O[C@H](C)CC 303245405 DHOVXPLSDCAAHR-OCHBPSSRSA-N 260.333 3.606 30 20 CHED C#CCCCCC(=O)N[C@H](CC)c1ccccc1OCC 119928268 DYDVURINYDGOGH-MRXNPFEDSA-N 287.403 3.846 30 20 CHED CCOc1cccc([C@@H](C)NCc2ccc(C#N)cc2)c1 63319355 VQJUZGDPUYKWGW-CQSZACIVSA-N 280.371 3.808 30 20 CHED CCC1(C)CCN(c2c(F)cc(C#N)cc2F)CC1 112013333 DMIYFWVOMXGQDW-UHFFFAOYSA-N 264.319 3.853 30 20 CHED N#Cc1cccc(C#N)c1NC[C@H]1CCc2ccccc2C1 302905687 WAXYYGOLHUHEIP-AWEZNQCLSA-N 287.366 3.647 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(Br)c1C 117005192 WXSGBMGNTJBTED-VIFPVBQESA-N 297.196 3.844 30 20 CHED Cc1cc(C)n(CCCNc2c(Cl)cccc2C#N)n1 301348817 JBVMGSADDYKUTJ-UHFFFAOYSA-N 288.782 3.527 30 20 CHED C=CCNC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 303686931 ODTUYTIWXKFZQB-UHFFFAOYSA-N 287.309 3.856 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)Oc2ccccc2F)c1 175186539 XQHLTBFSFRQBQI-INIZCTEOSA-N 297.329 3.603 30 20 CHED CCCCc1ccc(OC(=O)c2ccc(C#N)cn2)cc1 120520494 ZKUDSVXVCHCAOT-UHFFFAOYSA-N 280.327 3.515 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 122371661 JPDHUWMLGMGXMU-WFASDCNBSA-N 288.391 3.532 30 20 CHED CCC1(CNC(=O)N(C)Cc2cccc(C#N)c2)CCCC1 127752533 NLHYDYDHJQXOHI-UHFFFAOYSA-N 299.418 3.670 30 20 CHED C=C[C@@H](CC(=O)OCc1cccc(C)n1)c1ccccc1 122461783 JHJHICDDSYGZKD-HNNXBMFYSA-N 281.355 3.793 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(OCC)cc1 121359864 XJLPMUROTAJDRU-SJLPKXTDSA-N 289.419 3.549 30 20 CHED C=CCC[C@@H](C)NCc1nccn1CCc1ccccc1 185661790 YSSYJQKSLJEBCI-MRXNPFEDSA-N 283.419 3.570 30 20 CHED C[C@H](CC#N)N[C@H](C)c1ccc(Cl)cc1Cl 37871232 UZKBVDZGWGDRML-RKDXNWHRSA-N 257.164 3.946 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2ncsc2c1 182587942 QOGHJCRAFQPRFS-NSHDSACASA-N 274.389 3.771 30 20 CHED CCC[C@H](C#N)N(C)C(=O)C[C@H](C)Cc1cccc(F)c1 410830752 WTBICNPTXNPXFX-CZUORRHYSA-N 290.382 3.545 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCc2ccccc2C1 187927817 CHAAMTQBTFYCCI-FUHWJXTLSA-N 271.404 3.605 30 20 CHED C=CC[C@@H](CC)NC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 410143500 CPBAIHKUXFOVPC-OAHLLOKOSA-N 297.402 3.778 30 20 CHED COc1ccc(F)cc1CN[C@@H](C)c1ccc(C#N)cc1 180141275 ZCJYUAJYDHVMBY-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H](C)C[C@@H]2CC)c1 72940104 CEDIRYXDMITHPO-HIFRSBDPSA-N 288.391 3.904 30 20 CHED C=C(C)COc1cccc(NCc2cccnc2)c1 129256355 HYHZSKCJXNTWSC-UHFFFAOYSA-N 254.333 3.649 30 20 CHED C=CCC(CC=C)C(=O)NCC1(c2ccc(F)cc2)CC1 124250242 ZQYSIRQSNQUHFM-UHFFFAOYSA-N 287.378 3.742 30 20 CHED N#CCN(C(=O)c1ccc(F)cc1Cl)c1ccccc1 78382506 RWOBMXYCQVCXPY-UHFFFAOYSA-N 288.709 3.649 30 20 CHED CC(C)(C)c1csc(NC(=O)CC2CC2)c1C#N 410925766 HHDJUHWIPQFTHV-UHFFFAOYSA-N 262.378 3.656 30 20 CHED C=C(C)CN(CC)C(=O)c1csc2ccccc12 73869328 XSVNNJVYLLGIOU-UHFFFAOYSA-N 259.374 3.940 30 20 CHED CC[C@H](C)N(C(=O)c1cccc(CC#N)c1)[C@@H](C)CC 180514677 BCUGYBQLMKDMQV-KBPBESRZSA-N 272.392 3.792 30 20 CHED C[C@H](NC(=O)CCc1ccc(C#N)cc1)C1CCCCC1 125585322 UNBCFPXWRJLJSK-AWEZNQCLSA-N 284.403 3.576 30 20 CHED C[C@@H](Cc1cccc(F)c1)Nc1ccc(OCC#N)cc1 128718178 LEGOEWLWGPXMTP-ZDUSSCGKSA-N 284.334 3.771 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(C)C)s1 185521775 PPPDEFXLKHYGJY-UHFFFAOYSA-N 251.395 3.910 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)c(F)cc1F 183103265 DPQNDFHTPONVPK-VIFPVBQESA-N 286.297 3.970 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1cccc(F)c1F 182724593 KQGGPFRCVTYKRS-GQCTYLIASA-N 286.277 3.796 30 20 CHED CCC(CC)S(=O)(=O)/N=C(\O)C[C@H](CC)C(C)C 73838396 RKZGKNMEUBYTFD-NSHDSACASA-N 277.430 3.534 30 20 CHED N#CC1(CC[S@](=O)Cc2cccc(F)c2)CCCCC1 417160815 QBGMBTVRFVUJCV-FQEVSTJZSA-N 293.407 3.939 30 20 CHED C=C(C)[C@H](NC(=O)N(CC)C1CC1)c1ccc(F)c(F)c1 185827645 IJLDDRZRJZSGOB-HNNXBMFYSA-N 294.345 3.776 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](C)C1 412843553 SGCICOWGGQZQCX-HYVNUMGLSA-N 271.404 3.726 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2sccc2C#N)cc1 182481683 WWKWVBSBEDALFN-LBPRGKRZSA-N 284.384 3.746 30 20 CHED N#CCc1ccc(NC(=O)NCCC2=CCCCC2)cc1 78248281 CDHXAQWMAJRVMA-UHFFFAOYSA-N 283.375 3.765 30 20 CHED COc1cc(N[C@@H]2CCC[C@H](C#N)C2)c(OC)cc1Cl 185751176 GDNVWLFBSHUOBK-WDEREUQCSA-N 294.782 3.851 30 20 CHED Cc1ccccc1CNc1ccccc1O[C@@H](C)C#N 182547506 LFUOKCYVRFGGBK-AWEZNQCLSA-N 266.344 3.898 30 20 CHED CO[C@@H](COc1cccc(C#N)c1)c1ccc(Cl)cc1 508986111 SDDQWNZFWXRELQ-INIZCTEOSA-N 287.746 3.978 30 20 CHED N#Cc1ccc(CSc2cccc(O)c2)c(F)c1 130963949 VMCZZWWFGLZLGD-UHFFFAOYSA-N 259.305 3.695 30 20 CHED C=C(CC)CSCCC(=O)N1CCOc2ccccc21 507131666 DWBKXPMDHOZITN-UHFFFAOYSA-N 291.416 3.502 30 20 CHED C[C@@H](NCCCCC#N)c1cc2c(cc1O)CCCC2 185339402 CFPLMDNAWZKVNL-CYBMUJFWSA-N 272.392 3.615 30 20 CHED CC(C)(C#N)CCN[C@H]1CCC[C@@H]1c1ccccc1 133448225 SOXLCXOOVGAUBX-CVEARBPZSA-N 256.393 3.852 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](C)CCc1cccc(F)c1 410140266 QFRZNGPAJJMXRF-XJKSGUPXSA-N 277.383 3.865 30 20 CHED CC(C)[C@@H]1CN(CCC2(C#N)CCCCC2)CCCO1 411772882 ROVVLWCKNLREFX-INIZCTEOSA-N 278.440 3.597 30 20 CHED Cc1c(C(=O)N(CC#N)C2CC2)oc2c(Cl)cccc12 49426150 USWNMAYHOWQKMB-UHFFFAOYSA-N 288.734 3.523 30 20 CHED CN(C)c1nc2ccc(N=C(O)C(C3CC3)C3CC3)cc2[nH]1 328741864 JELADPWMBDGEEP-UHFFFAOYSA-N 298.390 3.653 30 20 CHED COC[C@@H](C)CC(=O)Nc1scc(C(C)(C)C)c1C#N 410922541 ACTLCLHCPVNGNO-JTQLQIEISA-N 294.420 3.528 30 20 CHED C=CCCCCCNc1ccc(C)c(C(=O)N(C)C)c1 195450468 MCMBSOHAVQCZQL-UHFFFAOYSA-N 274.408 3.855 30 20 CHED CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(C#N)ccc1C 81065483 IZJNTSQFJZBLJB-SMDDNHRTSA-N 271.364 3.519 30 20 CHED C=CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C 506159295 GIIPBSUSWXZIAI-CQSZACIVSA-N 280.799 3.565 30 20 CHED C=C(C)CCc1noc([C@@H](F)Cc2ccccc2)n1 508662223 CAFAAPBCNCISSI-ZDUSSCGKSA-N 260.312 3.832 30 20 CHED N#CCN[C@H](c1c(Cl)cccc1Cl)C1CC1 290001655 ZBPPWKUZTJCBPV-LBPRGKRZSA-N 255.148 3.558 30 20 CHED CC1(Cc2noc(C3(C#N)CCCCC3)n2)CCCC1 329666598 KZBGQVHMCDUCDE-UHFFFAOYSA-N 273.380 3.918 30 20 CHED CC[C@@H](/N=C(/O)C1CCC(=O)CC1)c1nc(C)cs1 329806284 NUPVDHQVHRVXGR-GFCCVEGCSA-N 280.393 3.618 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C(F)(F)F)ccn1 191229788 QWEXRDBJQYTJGP-LBPRGKRZSA-N 272.270 3.641 30 20 CHED N#C[C@@H](C(=O)c1cc(Cl)cc(Cl)c1)c1ccccn1 46439764 AKPWVYMNFWEJCP-GFCCVEGCSA-N 291.137 3.878 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 425612821 RIJLIIOOIISMFS-HGTKMLMNSA-N 291.439 3.583 30 20 CHED Cc1nc(CC/N=C(/O)C[C@H]2C[C@H]3CC[C@H]2C3)c(C)o1 328829455 JHRLXFPFFQACGX-MELADBBJSA-N 276.380 3.617 30 20 CHED CC(C)CCN(CCC#N)Cc1csc(C2CC2)n1 135679121 ZDAJGORCCXFPEW-UHFFFAOYSA-N 277.437 3.782 30 20 CHED COc1ccc(CNc2cc(C)ccc2F)cc1C#N 87822821 UDOUQBBQELZBNQ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCCOc1ccccc1N[C@@H]1CCC[C@H](C#N)C1 193090759 HVVUNJVWEBFHHB-UONOGXRCSA-N 258.365 3.970 30 20 CHED C=C(CNC(=O)NC(C)(C)CCC)c1ccccc1 512682417 WGTUCMZWGZZJBV-UHFFFAOYSA-N 260.381 3.578 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)Cc1ccccc1C 424600955 LMZMUIPLKSXDJT-AWEZNQCLSA-N 259.393 3.645 30 20 CHED CCc1ccc([C@H](C)/C(O)=N/[C@H]2CCc3c[nH]nc3C2)cc1 329870747 BWYDVXWJKCGPPD-LRDDRELGSA-N 297.402 3.590 30 20 CHED C[C@@H]1c2ccsc2CCN1CCCC(C)(C)C#N 87608644 ALGRBSIOOCCKNL-GFCCVEGCSA-N 262.422 3.997 30 20 CHED CC(C)n1nccc1CN(C)[C@@H](C)c1cccc(C#N)c1 425368375 WKPBBRBHNMQCLB-AWEZNQCLSA-N 282.391 3.529 30 20 CHED O=C(NCC#Cc1cccc(F)c1)C1C[C@H]2CCC[C@H](C1)C2 513215583 ZGICRHPUVMSPBM-HOTGVXAUSA-N 299.389 3.510 30 20 CHED Cn1cc(CNC(C)(C)c2cccc(Cl)c2)cc1C#N 191141075 WYGFWQGHTFGKNR-UHFFFAOYSA-N 287.794 3.575 30 20 CHED C[C@@H]1C[C@H](Nc2nc3c(cc2C#N)CCCC3(C)C)CCO1 428149162 BVPMOMIFDVUOFB-IUODEOHRSA-N 299.418 3.547 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccncc1F 338006502 CSAMJUFQJVUJSV-NEPJUHHUSA-N 269.323 3.504 30 20 CHED COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CC[C@H](C#N)C1 424322205 ICJJGXHESZOIAG-AHIWAGSCSA-N 284.403 3.699 30 20 CHED Cc1cc(F)c(CN(CCC#N)Cc2ccco2)c(F)c1 425319602 DHTIZQQHHGZWAO-UHFFFAOYSA-N 290.313 3.782 30 20 CHED COc1ccc(CN/C(O)=N/CC2CCCC2)cc1Cl 331099022 CENNSMSHXJQBIG-UHFFFAOYSA-N 296.798 3.542 30 20 CHED C#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1C 192144602 PYFULRYOHAPREU-UHFFFAOYSA-N 269.266 3.756 30 20 CHED C=C(C)CNC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 427949925 ZHXDWEZHLFZUSX-UHFFFAOYSA-N 283.158 3.781 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](c2ccccc2)C1 424853316 VEBAYSHFARHFFD-MRXNPFEDSA-N 271.404 3.995 30 20 CHED CC[C@H](CNc1cnccc1C#N)Oc1ccccc1C 91734003 JEPZBZSBHAZDFF-OAHLLOKOSA-N 281.359 3.531 30 20 CHED N#Cc1cc(C(=O)Nc2cccc(F)c2Cl)ccc1F 335993658 WDPVGUFGPWUBPP-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCc1ccc(N/C(O)=N/[C@@H]2CCC[C@H]2C#N)cc1C 330885700 FVIVFXVSPSEUFZ-DZGCQCFKSA-N 271.364 3.576 30 20 CHED CCCC[C@@H]1CCC[C@@H]1/N=C(/O)c1csc(O)n1 330999457 VZROMVLIUBOAHD-ZJUUUORDSA-N 268.382 3.512 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1cnc(C(C)C)s1 330476835 IDBPBILNCXWZKJ-AWEZNQCLSA-N 279.409 3.899 30 20 CHED Cc1ccc2c(c1)CC[C@@H](C(O)=Nc1cnc(C)s1)O2 330013471 MEVBMOSVXVODLG-ZDUSSCGKSA-N 288.372 3.742 30 20 CHED N#CCC1(CNCc2cnc(-c3ccccc3)s2)CC1 430041758 WRRVYMWGUFJSHB-UHFFFAOYSA-N 283.400 3.594 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@H](C)C(C)(C)C)no1 336489137 PODNQGWVLFZNCS-QMMMGPOBSA-N 259.309 3.659 30 20 CHED CCCC1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCC1 333503975 CZBJWXPUZUQNDK-KRWDZBQOSA-N 274.408 3.547 30 20 CHED C=C(C)COC(=O)c1csc(Cc2ccc(C)cc2)n1 92851072 FIIGSKSLSVLRJS-UHFFFAOYSA-N 287.384 3.775 30 20 CHED Cc1nc2ccc(NC(=O)C3(C#N)CCCCC3)cc2o1 98113031 AFALRUBZGRQZMV-UHFFFAOYSA-N 283.331 3.549 30 20 CHED C=CCCOC(=O)c1csc(Cc2ccc(C)cc2)n1 92851427 NLMMXJNNHXKJLQ-UHFFFAOYSA-N 287.384 3.775 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1 437201209 JDTDGWQNNGXISW-JZXOWHBKSA-N 287.403 3.660 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Oc2cccnc2)nc1 344232690 QBNJFJMJAZCIIZ-UHFFFAOYSA-N 297.358 3.810 30 20 CHED Cc1cc(C)cc(NC(=O)COc2ccc(C#N)c(C)c2)c1 434650737 QJUSMUBGYLBTIH-UHFFFAOYSA-N 294.354 3.501 30 20 CHED COc1ccc(CC[C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1 248782422 IBKJHQTWQPHECL-USXIJHARSA-N 286.419 3.688 30 20 CHED N#CCC1(CNCc2ccc(F)cc2C(F)(F)F)CC1 430065531 IKGKOGCUNIVUNA-UHFFFAOYSA-N 286.272 3.628 30 20 CHED C=CC(C)(C)c1nc(C(C)(C)c2cc(C)ccn2)no1 528261525 KVKBDOJKDFQCIK-UHFFFAOYSA-N 271.364 3.563 30 20 CHED COC1CCC(CCNc2cccc(F)c2C#N)CC1 347882745 UFJVUUVCQCITSG-UHFFFAOYSA-N 276.355 3.705 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 528666661 YKJWSIDFXWYQQK-NVXWUHKLSA-N 298.430 3.969 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@@H](C)c1c(Cl)cccc1Cl 604572980 HRAOGZHOOKZJAS-ZJUUUORDSA-N 299.201 3.715 30 20 CHED C=CC[C@@H]1N(C(=O)CC(C)(F)F)CCCC1(C)C 347417392 AAAMFQJKWINWBI-NSHDSACASA-N 259.340 3.625 30 20 CHED Cc1nsc(NC[C@@H](C)Cc2cccs2)c1C#N 342355732 DRMHDVOCZHKKOZ-VIFPVBQESA-N 277.418 3.675 30 20 CHED C=CCOc1ccc(Oc2nc(C)ccc2C#N)cc1 342297391 UCFQLKBTQCPLBQ-UHFFFAOYSA-N 266.300 3.619 30 20 CHED C=CCCC1(c2nc(-c3ccc4c(c3)ncn4C)no2)CC1 346613678 UEGRGWTVTLQJLP-UHFFFAOYSA-N 294.358 3.621 30 20 CHED COc1ccc2c(c1F)CC[C@H]2NCC(C)(C)CCC#N 344142567 ZZRJKDGCCJNVRD-CQSZACIVSA-N 290.382 3.741 30 20 CHED CC(C)CCN(CCC#N)C(=O)Cc1ccccc1Cl 349385909 MUIKIFRJJLRLSM-UHFFFAOYSA-N 292.810 3.671 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H](C)Cc1ccccc1C 529199505 PPCKGJXDSCCLKY-WBVHZDCISA-N 271.404 3.741 30 20 CHED C=CCC[C@@H](NCCCN1CCCC[C@@H]1C)C1CC1 439084507 LBCCTKVNHJGLLQ-DOTOQJQBSA-N 264.457 3.585 30 20 CHED C=CCSCCN[C@@H]1CCCc2cc(F)ccc21 341795689 BVJSJMZDYQLVCJ-OAHLLOKOSA-N 265.397 3.712 30 20 CHED C=CCNC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 438636108 XEUOFSQWXDICPH-UHFFFAOYSA-N 289.404 3.901 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)c(F)c1)c1cccnc1 255072714 LQQJHAIJJAOUTG-HYXAFXHYSA-N 293.244 3.718 30 20 CHED C[C@@H]1CC[C@H](c2ccccc2)N(Cc2cc(C#N)n(C)c2)C1 348631712 FTCWENHLTYABTI-DNVCBOLYSA-N 293.414 3.870 30 20 CHED C=CCCCN(Cc1cccc(F)c1)C[C@H]1CCCO1 605150212 KRYBMHDUMUGGOZ-QGZVFWFLSA-N 277.383 3.773 30 20 CHED Cc1nsc(N(C)Cc2ccc(Cl)s2)c1C#N 341350598 NQJKGARRPPWFFP-UHFFFAOYSA-N 283.809 3.675 30 20 CHED Cc1ccc(C=NNc2nc3ccccc3s2)o1 254824282 LTXDTWKNTWLFTN-UHFFFAOYSA-N 257.318 3.644 30 20 CHED N#CCc1ccc(NC(=O)c2cc3occc3s2)cc1 609853339 AAYZCODUBSQROP-UHFFFAOYSA-N 282.324 3.813 30 20 CHED CCCC1(C(=O)Nc2sc(C)c(C)c2C#N)CC1 348408701 QBXWZOZXIBFQTC-UHFFFAOYSA-N 262.378 3.755 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCCC[C@@H]1C 522035539 XZLQCIGMXPEUDB-HOTGVXAUSA-N 291.435 3.976 30 20 CHED CCOc1cc(Cl)ccc1CNC[C@@H](C)CCC#N 602581864 LFFOZTYRJXGUIZ-LBPRGKRZSA-N 280.799 3.768 30 20 CHED C=C(C)COc1cc(CN[C@H](CC)C(F)F)ccc1OC 449358363 FSGMDOWFBGTPKT-CYBMUJFWSA-N 299.361 3.783 30 20 CHED C/C=C\c1ccc(NC(=O)c2cscc2C#N)cc1 354941437 UQYRFVULHHQCHD-IHWYPQMZSA-N 268.341 3.905 30 20 CHED CC[C@@H](NC[C@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1 448024231 XEZULHAGQVDZNO-QZTJIDSGSA-N 299.462 3.719 30 20 CHED CC(C)(C#N)CCCCN1CCc2cccc(F)c21 444661327 HNVCOBUJUHFQSB-UHFFFAOYSA-N 260.356 3.908 30 20 CHED C=CCOc1cccnc1C(=O)N(CC)CC(CC)CC 538197855 LRQXSZXFHBZMQG-UHFFFAOYSA-N 290.407 3.545 30 20 CHED C[C@H](C#N)CN(C)Cc1cnc(CCc2ccccc2)s1 449013400 CIGISGQPTZJXGF-CQSZACIVSA-N 299.443 3.520 30 20 CHED CC[C@@H](C)[C@H](C)N(C(=O)CCc1ccc(C#N)cc1)C1CC1 609189828 CFGXAVPWJDZULY-CABCVRRESA-N 298.430 3.916 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(Cl)c(F)c1 600624488 ZAJWNXCTVJPTNO-UHFFFAOYSA-N 273.760 3.727 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(Cl)s1 539387246 FMPBJUSXZHXQRO-SNVBAGLBSA-N 286.828 3.946 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N(CC)C1CCCC1 359112546 YWCVPOBNQJUKOV-UHFFFAOYSA-N 274.412 3.501 30 20 CHED CCC(CC)[C@H](C)C(=O)N(C)Cc1ccc(C#N)cc1 534137340 VOVPFHBUZGEVTN-ZDUSSCGKSA-N 272.392 3.589 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(-c2cnco2)cc1 537230929 NOYLTFDFZFOEDV-ZDUSSCGKSA-N 284.359 3.816 30 20 CHED C=CCC[C@@H](Nc1nnc(C)c(C)n1)c1ccccc1 359762936 BETFHPQRMVUFGJ-OAHLLOKOSA-N 268.364 3.608 30 20 CHED CC(C)(CCC#N)CNC(=O)c1scnc1C(C)(C)C 359769581 ZSQBDGJLSGKCSK-UHFFFAOYSA-N 293.436 3.500 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C1(C)C 617987566 XSBVRGXXPKLQIE-RBSFLKMASA-N 288.435 3.766 30 20 CHED N#Cc1nc(N2CC[C@@H]2c2cccc(F)c2)ccc1Cl 610516094 ZIUHKEACUHQDHP-CQSZACIVSA-N 287.725 3.697 30 20 CHED CCCCOc1ccc(CNCC(C)(C)C#N)cc1OC 612588000 LCRLIJUZFPEGLQ-UHFFFAOYSA-N 290.407 3.513 30 20 CHED C=C(C)[C@H](CC(=O)NCC1CCC(C)(C)CC1)OCC 534015284 VQWMUJUKTKQVMJ-HNNXBMFYSA-N 281.440 3.690 30 20 CHED CNc1ccc(C#N)cc1NC(=O)C1CCC(C)(C)CC1 355648638 DAHDIJBRZPWHJI-UHFFFAOYSA-N 285.391 3.755 30 20 CHED CCC1(c2noc(-c3ccc(C#N)cc3)n2)CCCC1 445777197 OOQZJCITFZENCC-UHFFFAOYSA-N 267.332 3.830 30 20 CHED N#C[C@H]1CCC[C@H](NC2(c3ccc(F)cc3)CCC2)C1 618574251 VJUHWELXKXENSU-BBRMVZONSA-N 272.367 3.877 30 20 CHED C=CCOCCCSCc1ccccc1OCC 530419972 IGTQTVGPDUDGEL-UHFFFAOYSA-N 266.406 3.911 30 20 CHED C[C@@H](c1ccccc1)n1ccc(=NCC(C)(C)CCC#N)[nH]1 610787109 YZHCZYLLUWMMDB-HNNXBMFYSA-N 296.418 3.656 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H](c2ccco2)C1 614962681 CFBQBLCTFJKYFB-CJNGLKHVSA-N 266.344 3.702 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)NCC(C)(C)CCC#N)C1 353729900 OKQNXJFBAMBGTP-UONOGXRCSA-N 279.428 3.584 30 20 CHED N#Cc1ccc2c(c1)N(c1ccc(C(F)(F)F)cn1)CC2 352356997 PGMYYGBAEVDNLU-UHFFFAOYSA-N 289.260 3.666 30 20 CHED CC[C@@H](CC#N)NC(=O)c1nc(C)sc1-c1ccccc1 358050221 PRCFNPJUZHWMMP-ZDUSSCGKSA-N 299.399 3.541 30 20 CHED CC#CCCCC(=O)N1CCc2ccc(C(C)C)cc2C1 617608210 NEOJUBUWWONCPT-UHFFFAOYSA-N 283.415 3.888 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(F)cc1Cl 454181602 BAXYBKNAUFQMIY-UHFFFAOYSA-N 270.735 3.813 30 20 CHED CCCCOc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1 612404391 VFQUCJNOWYMJGT-SFHVURJKSA-N 286.419 3.991 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccccc1CCC(F)(F)F 539927077 JOXUDZADSDBRAI-GFCCVEGCSA-N 298.308 3.604 30 20 CHED C=C1CCN(Cc2csc(-c3ccoc3)n2)CC1 264423017 APMZRWLOJLGKPU-UHFFFAOYSA-N 260.362 3.555 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCCc3cnn(C(C)C)c32)n1 368134331 JZEGXRKNCNYWQL-OAHLLOKOSA-N 295.390 3.529 30 20 CHED C[C@H](NCCCOc1cccc(C#N)c1)c1ccsc1 619783642 WCGJITVQQGOOTL-ZDUSSCGKSA-N 286.400 3.739 30 20 CHED C=C(CC)CNC(=O)NCc1ccc(C(C)(F)F)cc1 454993053 FXDXQFGKAKJLCU-UHFFFAOYSA-N 282.334 3.564 30 20 CHED C=C(C)CNC(=O)C1(c2cccc(Cl)c2)CC(C)C1 450779901 ORWRMILORUKQNT-UHFFFAOYSA-N 277.795 3.700 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)cc1)C(C)(C)C 452664411 TUONOUGSSVSVPX-AWEZNQCLSA-N 258.365 3.503 30 20 CHED CCN(CC#N)Cc1ccc(N(C)c2ccccc2)cc1 611264078 CPUBLWXDWRKTBD-UHFFFAOYSA-N 279.387 3.800 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCSC1 278461501 PAUJHMNYBSIBDR-INIZCTEOSA-N 274.433 3.523 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H]1CCOc2c(F)ccc(F)c21 361219533 FJZVRPSDBFPXAU-BLLLJJGKSA-N 295.329 3.507 30 20 CHED C=C(C)CCNC(=O)Cc1cc2ccccc2s1 456125857 WQGGPTUYJUGJQX-UHFFFAOYSA-N 259.374 3.526 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)CCC=C(C)C)OCC 452538947 DZBFZYLAZDFGAU-LSDHHAIUSA-N 267.413 3.609 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1cnc(C#N)c(Cl)c1 455762773 ODTFPFMDQXWDQE-SECBINFHSA-N 294.786 3.553 30 20 CHED CCOCc1ccccc1-c1noc(C2(C#N)CCCC2)n1 544142788 RQJRHOUUNHQDMB-UHFFFAOYSA-N 297.358 3.608 30 20 CHED CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)CCO1 271963173 RQOVQBPEFVHCRE-MJEQTWJJSA-N 290.382 3.552 30 20 CHED CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 457315340 ZFHCTRIKXUXNFV-LPHOPBHVSA-N 296.414 3.796 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(C(F)(F)F)cc1 278147941 ASMUZYXABDKAHD-UHFFFAOYSA-N 270.254 3.584 30 20 CHED N#CCCCNC(=O)CC(c1ccccc1)c1ccccc1 273006966 ILTLLZPMTCTRCE-UHFFFAOYSA-N 292.382 3.629 30 20 CHED Cc1cc(C)c2nc(NC(=O)CC(C)(C)C#N)sc2c1 278363990 YRCBZLDYOUGQPW-UHFFFAOYSA-N 287.388 3.792 30 20 CHED Cc1ccc(-c2ccc(C(=O)N(C)C[C@H](C)C#N)s2)o1 272704156 GZNMPWQOKOPCRO-SNVBAGLBSA-N 288.372 3.548 30 20 CHED C=CCOCCN[C@@H](C)c1ccc(F)c2ccccc12 549717601 DSAUQLYDZMRVRH-ZDUSSCGKSA-N 273.351 3.832 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCC[C@H](c2ccccc2)CC1 375666514 WMWCATHIZNCLCP-WMZOPIPTSA-N 284.403 3.723 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 285409842 FSOAEJYDUUQWMA-LKFCYVNXSA-N 282.746 3.596 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2oc(C)c(C)c2c1 286006002 HTYKDGMGMWSSHN-INIZCTEOSA-N 270.332 3.928 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)c1cccc(Br)c1 462592575 KESKTYZKQIGDGZ-NSHDSACASA-N 296.208 3.587 30 20 CHED CCOc1ccc(NC(=O)[C@](C)(C#N)CC)c2ncccc12 289633643 BQJGQNVDJJPIIS-KRWDZBQOSA-N 297.358 3.512 30 20 CHED CC(C)c1ccc(O[C@H](C)CNCc2ccc(C#N)o2)cc1 554710374 AHOCGYKLTLCGFP-CQSZACIVSA-N 298.386 3.832 30 20 CHED C=C(CNC(=O)N1CC(C)(C)[C@@H]1C1CC1)c1ccccc1 461417298 JMJHAWVSOAYLLA-INIZCTEOSA-N 284.403 3.530 30 20 CHED C=CCCCCNC(=O)c1cccc(Cl)c1C 469788370 UDTBZLNZEYTXFD-UHFFFAOYSA-N 251.757 3.735 30 20 CHED CCCC(C)(C)NC(=O)c1cc(C#N)ccc1Cl 286193303 ZZRHUKRWWIBXFC-UHFFFAOYSA-N 264.756 3.520 30 20 CHED N#Cc1cc(NC[C@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] 281850493 JKWYFKVYKWZQMI-JTQLQIEISA-N 295.289 3.704 30 20 CHED C=CCC[C@H](C(=O)Nc1nc(C2CC2)c[nH]1)c1ccccc1 289261893 GOFIFBRBUWLCAO-HNNXBMFYSA-N 295.386 3.976 30 20 CHED CC1(C#N)CCC(N[C@@H]2CCc3ccc(F)cc32)CC1 556152093 LITNZIOWQRLQOB-ARWYELJZSA-N 272.367 3.875 30 20 CHED C=C(CC)Cn1cc(C(C)(C)OCc2ccccc2)nn1 630591423 XDNKBFZTLWPSGY-UHFFFAOYSA-N 285.391 3.696 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1ccc(CC#N)cc1 280418855 YTUZVLFWWFFKPA-MRXNPFEDSA-N 258.365 3.908 30 20 CHED C=CCSCC(=O)N(CCC)Cc1ccc(C)cc1 550950546 IHOYVPLVVVDUMV-UHFFFAOYSA-N 277.433 3.653 30 20 CHED C=CCC(CC=C)C(=O)N1CCN(CC)c2ccccc21 467518242 CNEJOPZSDQATGT-UHFFFAOYSA-N 284.403 3.628 30 20 CHED C=CCC1(C(=O)NCCCCCCSC(C)=O)CCC1 281583752 MSTYPNAXMHYLER-UHFFFAOYSA-N 297.464 3.689 30 20 CHED CCOc1ccc(CN(C)c2ccc(F)cc2C#N)cc1 462916547 FIUROTUZSOQHGK-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CCC1CCC(N(C)C(=O)c2cc(C#N)oc2C)CC1 280618278 REQORRDGIWJGHO-UHFFFAOYSA-N 274.364 3.501 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CC3CCC2CC3)cc1 552164703 JKVAXTHWIPDYAE-UQVLAFNGSA-N 296.414 3.756 30 20 CHED C#CC(C)(C)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 704331323 ZFUIUJWDERFVAL-WAYWQWQTSA-N 282.170 3.535 30 20 CHED CC1(C)CCC[C@H]1CNc1ncc(C#N)cc1Cl 1163372974 KZIMYFOYVWDGMH-NSHDSACASA-N 263.772 3.845 30 20 CHED C#CCCCCC(=O)Nc1c(C)cc(OC)c(C)c1C 805294305 BHPRJEVFBZMIJL-UHFFFAOYSA-N 273.376 3.753 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1cccc([N+](=O)[O-])c1 805698035 PCQVBIXGDCQMGP-GFCCVEGCSA-N 290.319 3.673 30 20 CHED CC(C)N(CCC#N)Cc1cc(O)cc(C(F)(F)F)c1 562200672 UEPQXMXZTSLRBW-UHFFFAOYSA-N 286.297 3.535 30 20 CHED C#C[C@H](NC(=O)/C(C)=C/CC)c1ccc(Cl)cc1F 804420926 PXCBTMAAMNIGLL-XYYIANASSA-N 279.742 3.626 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CCCc2nn(C)cc21 801097023 FASTXDZFPUSVET-OAHLLOKOSA-N 291.439 3.664 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ccccc1Cl 294271596 GWGPRXVRWHIGNE-SNVBAGLBSA-N 251.757 3.729 30 20 CHED C=C(C)COCCN[C@H]1CC(C)(C)c2cc(OC)ccc21 474041334 VXSPCXOYWXUYIS-KRWDZBQOSA-N 289.419 3.600 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1ccsc1Cl 560090984 RVRMCQYWMMTASG-SNVBAGLBSA-N 287.812 3.641 30 20 CHED Cc1ccsc1CCNc1nc(Cl)c(C#N)s1 804590496 XJOLFGAANAGSPL-UHFFFAOYSA-N 283.809 3.693 30 20 CHED C=CCC[C@H](N[C@@H]1CCn2ccnc21)c1ccccc1 297115519 YIDAXDXVCABHTK-JKSUJKDBSA-N 267.376 3.625 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N[C@@H](C#N)C(C)(C)C 566036267 ZUDJMNUBQJIFGQ-NEPJUHHUSA-N 252.402 3.503 30 20 CHED C#C[C@@H](Nc1ncncc1Cl)c1ccc(Cl)cc1F 804808031 MFYVSNVARMURKX-GFCCVEGCSA-N 296.132 3.709 30 20 CHED CCC[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H](C#N)C1 471597203 DCXJDYKSLHHGRR-BRWVUGGUSA-N 256.393 3.680 30 20 CHED C=CCCCCOc1cc(F)cc(F)c1C(C)=O 565639321 BXKRXCBHBZUCQX-UHFFFAOYSA-N 254.276 3.903 30 20 CHED CC(C)=CCON=C(c1ccccc1)C(F)(F)F 808536151 LHKPNMVPZBIHIT-UHFFFAOYSA-N 257.255 3.936 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1Cl 488811128 CCADFPJDDHSULM-CYBMUJFWSA-N 281.758 3.589 30 20 CHED CCN(CC#Cc1ccccc1)Cc1cccc(F)c1 483532960 XZDVWCLLJYUUJB-UHFFFAOYSA-N 267.347 3.699 30 20 CHED CC#CCCCC(=O)O[C@H]1CCOc2cccc(C)c21 814032541 IQJGZAWXPYQIQA-HNNXBMFYSA-N 272.344 3.555 30 20 CHED CCN(CC)c1ccc(/C=N\[C@@H](C)C(F)(F)F)c(O)c1 818991507 FZPSARNAHOLRSE-OAOMGELKSA-N 288.313 3.608 30 20 CHED C#Cc1ccccc1Cc1nc(C2CCCCC2)no1 810276762 BNNVQDCVTZUXFW-UHFFFAOYSA-N 266.344 3.689 30 20 CHED CCCC(=NNc1oc(C(C)C)nc1C#N)c1ccccn1 814821357 ZNLJBEWSXMNIHC-UHFFFAOYSA-N 297.362 3.681 30 20 CHED C=CCn1c(CC)nnc1N1CCC[C@@H]1c1cccc(C)c1 565567117 QAMLQRNREMGTJF-MRXNPFEDSA-N 296.418 3.676 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@H](c2cccc(C)c2)C1 488920055 OUVWQKNKYPFHMD-KRWDZBQOSA-N 294.398 3.612 30 20 CHED Fc1ccc2c(c1)OCC2=NNc1ccc2ccccc2n1 814697217 DJBYOKYYNUGYEK-UHFFFAOYSA-N 293.301 3.583 30 20 CHED CC(=NOCc1cccnc1)c1cccc(C2CC2)c1 814884210 RNQSPNQHZNQHNK-UHFFFAOYSA-N 266.344 3.900 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1cn(C)c2ccccc12 488813498 IGAJIEXSSMUYRN-MRXNPFEDSA-N 296.414 3.678 30 20 CHED C=CCCCC(=O)N[C@@H]1CCc2sc(Cl)cc21 571697156 QRPLVSPCURDXID-SNVBAGLBSA-N 269.797 3.861 30 20 CHED C=CCN(CCC#N)C(=O)C(C)(C)C1CCCCC1 816803146 OCOJIYQLWCBKMI-UHFFFAOYSA-N 262.397 3.521 30 20 CHED CC(=NNCC1(C)CCCC1)c1ccc(C)nc1C 814937476 HPCAAEGIXZYWLT-UHFFFAOYSA-N 259.397 3.592 30 20 CHED CC1=CC(=NNc2cc(Cl)nc(Cl)c2)CC1 819830155 ARDMEQDMKSCZPH-UHFFFAOYSA-N 256.136 3.896 30 20 CHED C=CCN(CCOC)Cc1ccc(OC(C)C)c(Cl)c1 484573827 JOILIDJZSKRJKP-UHFFFAOYSA-N 297.826 3.762 30 20 CHED C=CCCn1cc(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)nn1 653766542 IIQBTLLXAVSJBK-CVEARBPZSA-N 290.455 3.501 30 20 CHED C[C@H]1CC(=NN2CCC(C(C)(C)C)CC2)CC[C@@H]1C(=O)O 814914028 ZHGHFYOIWINFFX-WFASDCNBSA-N 294.439 3.621 30 20 CHED C#CCC1(c2nc(C(CC)(CC)OC)no2)CCCCC1 810337549 DHROEJINHFLXPU-UHFFFAOYSA-N 290.407 3.957 30 20 CHED C#CCC1(C(=O)Nc2ccc(C#N)c(F)c2)CCCCC1 813259203 WTSRWJLYVWBQIM-UHFFFAOYSA-N 284.334 3.610 30 20 CHED CC(C)(C)c1ncc(/C=C/c2ncccc2C#N)s1 485975334 JCMFRSVQJNPKJE-VOTSOKGWSA-N 269.373 3.878 30 20 CHED C=CCOCC(=O)Oc1c(Cl)cc(Cl)cc1Cl 729650791 XWNNBWSOFBSCGX-UHFFFAOYSA-N 295.549 3.755 30 20 CHED Cc1ncccc1C=NNc1cccc2ccccc12 728781449 VXMXTKUOQDAJHC-UHFFFAOYSA-N 261.328 3.989 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 650576206 SVAIYVZJOOANEZ-ZDUSSCGKSA-N 291.366 3.756 30 20 CHED CCc1ccc([C@@H](C)C(=O)OCc2ccc(C#N)cc2)cc1 727924807 XOJOMDRWIJECKI-CQSZACIVSA-N 293.366 3.968 30 20 CHED C=CCOc1cccc(CNCC(CC)(CC)OC)c1 492460282 IJYRBMOWDFKDCJ-UHFFFAOYSA-N 277.408 3.546 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@H]2CCCC2(F)F)cc1 824799527 OHVFKFLUOURORK-GXTWGEPZSA-N 294.345 3.502 30 20 CHED CCC1CCC(N(C)C(=O)c2cc(C#N)ccc2F)CC1 821295181 UKOBMVXBZYQCPT-UHFFFAOYSA-N 288.366 3.738 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cncc(Cl)c1C 820910527 NHQSHNJXFZFUJK-JTQLQIEISA-N 252.745 3.584 30 20 CHED CC(C)(C)Sc1ccc(Nc2ncncc2C#N)cc1 825692735 IOIXASNDQNVFAR-UHFFFAOYSA-N 284.388 3.982 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1snc(C)c1C#N)CC2 587972294 JENJRIOQFBBDKV-AWEZNQCLSA-N 269.373 3.731 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(SC(F)F)cc1 588594528 ROUNCSLFUVXTIC-DAXSKMNVSA-N 294.326 3.631 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC1(C)C 491218515 YKUCUVRLYUJZLF-HNNXBMFYSA-N 278.440 3.810 30 20 CHED CC(C)n1cc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cn1 582994182 OGSAFEWLMKSDRZ-FZKQIMNGSA-N 294.402 3.674 30 20 CHED CC(=NNc1ccc(F)c(F)c1)c1coc(C(C)C)n1 901318620 WNZGSAMLXUHTJW-UHFFFAOYSA-N 279.290 3.912 30 20 CHED C=CCCC(=O)N(C)CCc1cccc2ccccc12 588041728 FUTADRVOHJKNEL-UHFFFAOYSA-N 267.372 3.807 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 734108698 NWYPHEKEJNYTFX-ZNFPLGDCSA-N 296.414 3.856 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)Cc1ccccc1F 494406208 PIMHQVOJAGOXAE-DZGCQCFKSA-N 290.382 3.507 30 20 CHED CCCN(C(=O)Nc1scc(C)c1C#N)C(C)C 581892659 RVNRZBCCXNWVJW-UHFFFAOYSA-N 265.382 3.581 30 20 CHED C=C(CC)CNC(=O)C(F)(F)c1cccc(Cl)c1 837101329 UEMCFIDKJWZRNE-UHFFFAOYSA-N 273.710 3.514 30 20 CHED C=CCc1ccc(OC(=O)c2occc2C)c(OC)c1 733212871 BTOTUELVVWPRJS-UHFFFAOYSA-N 272.300 3.544 30 20 CHED C=CCCC(=O)COC(=O)[C@H]1CCC[C@H]1c1ccccc1 837862910 DHUIIDDJLKUYND-IRXDYDNUSA-N 286.371 3.649 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1C(=O)O 901885228 NISGIEQIOPXVSR-SOUVJXGZSA-N 269.429 3.968 30 20 CHED C#C[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)C(C)C 836321909 WUJHFULNQLVJLM-AWEZNQCLSA-N 299.399 3.589 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(O)Cc2ccc(F)cc2)CC1 901374590 MERGGQMXTOGQLM-MQMHXKEQSA-N 279.355 3.760 30 20 CHED C#CCN(Cc1ccco1)Cc1cc2cc(C)ccc2o1 739913912 TZPSWOHJULROKY-UHFFFAOYSA-N 279.339 3.970 30 20 CHED C=CC(C)(C)COC(=O)c1csc(C(C)C)n1 835726191 NVEFKDJFESSBNT-UHFFFAOYSA-N 253.367 3.636 30 20 CHED C=CCCCOC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 735525382 FEBXOJCJBJQDFG-UHFFFAOYSA-N 270.332 3.508 30 20 CHED C=CC[C@H]1N(c2nnc([C@H](C)CC)n2C)CCCC1(C)C 582514292 GISRWVLWOVSIND-ZIAGYGMSSA-N 290.455 3.900 30 20 CHED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C#CC1CC1 837332649 IGCOIBRDFRHJFS-NSHDSACASA-N 295.304 3.638 30 20 CHED CCCNN=C(C)c1ccc(SC(F)F)cc1 734980232 PLTIJAPFCJGMIO-UHFFFAOYSA-N 258.337 3.725 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)/C=C/C2CCCCC2)C1 735472529 SROPMGHCJLBSHG-HVMBIVEYSA-N 274.408 3.712 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2cccc(C3CC3)c2)n1 580992776 SRSWZQRNLWCMLU-GFCCVEGCSA-N 278.359 3.707 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)C2CCC2)cc1 837372286 LNHSDADWMNMKFZ-AWEZNQCLSA-N 270.376 3.678 30 20 CHED Cc1ccc(NC(=O)C#CC(C)(C)C)cc1OCC(F)F 837386701 OUSYRNZVEWDUAS-UHFFFAOYSA-N 295.329 3.627 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 593989286 MTBBNGVPPKTXDS-YJBOKZPZSA-N 298.430 3.631 30 20 CHED Clc1cccc(C#CCSc2nnc3ccccn23)c1 676486729 BMONAFCYZMCADY-UHFFFAOYSA-N 299.786 3.527 30 20 CHED CC/C=C(\C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 918573060 OZVACUHALKFMNL-MKMNVTDBSA-N 270.376 3.904 30 20 CHED Cc1ccc(C#N)cc1-c1ccc(O[C@@H]2CCOC2)cc1 592983980 JXRGNNSRDCZDDE-QGZVFWFLSA-N 279.339 3.701 30 20 CHED C=C(C)CNC(=S)N(Cc1cccc(C)c1)CC(C)C 745694667 GQXMUWNPBOAWBE-UHFFFAOYSA-N 290.476 3.904 30 20 CHED CN(C(=O)C1[C@H]2CCCCCC[C@H]12)c1ccccc1C#N 598817795 BSHYOFHHAYFRAW-GJZGRUSLSA-N 282.387 3.737 30 20 CHED C=CCN(C(=S)NC[C@@H](CC)CCCC)C(C)C 917588988 BAFCLIXUXHLZCZ-AWEZNQCLSA-N 270.486 3.974 30 20 CHED Cc1ccc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])o1 915975993 OABQQVXXECKWCB-UHFFFAOYSA-N 279.683 3.596 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc3c(c2)CCC(C)(C)O3)no1 844552648 SRMNVJXABUMQPZ-XQRVVYSFSA-N 297.354 3.983 30 20 CHED C=CCN(CCC(=O)Nc1ccc(Cl)cc1F)C(C)C 917069881 ZBPWOBWCMVHCKI-UHFFFAOYSA-N 298.789 3.704 30 20 CHED Cc1ncc(C=NNc2ccc(Cl)cc2)s1 917530692 WDHWFVVTCMTBBQ-UHFFFAOYSA-N 251.742 3.551 30 20 CHED CC(=NNCCN1CCCCC1)c1oc2ccccc2c1C 915975006 ZEPYFKCUOUQTCU-UHFFFAOYSA-N 299.418 3.541 30 20 CHED N#C[C@H](c1ccccc1)N1CCC([C@@H]2CCCCO2)CC1 595783350 MTUCTKVMYSLQPO-MSOLQXFVSA-N 284.403 3.532 30 20 CHED N#C[C@@H](C(=O)CSc1ccc(F)cc1)c1ccccc1 917137151 UDSNVYUOMKBNAS-OAHLLOKOSA-N 285.343 3.794 30 20 CHED CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1ccsc1 749098435 ALIAREPMVBOWMU-UHFFFAOYSA-N 294.763 3.936 30 20 CHED C#CCOC(=O)c1sc2cccc(Cl)c2c1Cl 913326863 HAXPWWKIPUQQOP-UHFFFAOYSA-N 285.151 3.998 30 20 CHED Cc1cc(N(C)C)ccc1CN(C)Cc1cccc(C#N)c1 840910429 MJJVDFDDWXGLBO-UHFFFAOYSA-N 293.414 3.565 30 20 CHED Cc1cc(/C=C2\C(=O)c3ccccc3[C@H]2C(C)C)nn1C 840718163 ACOXKPXXGMQKIG-LPPOOGIUSA-N 280.371 3.748 30 20 CHED N#CC1(CC(=O)NCc2coc3ccccc23)CCCCC1 597244960 VEKJXYDIEFCBPB-UHFFFAOYSA-N 296.370 3.913 30 20 CHED C#CCSc1nnc(-c2ccccc2)n1[C@@H](C)CC 749752619 SDNIKJSDEFXJPS-LBPRGKRZSA-N 271.389 3.641 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccsc2C#N)C1 912508140 SDSVGFBJQZNMGW-UHFFFAOYSA-N 276.405 3.662 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1c(C3CC3)cnn1C)O2 849245628 AYKHZXYYJGZIDD-CAOOACKPSA-N 294.354 3.531 30 20 CHED C=C(C)COC(=O)[C@@H](CC)Oc1ccccc1Cl 749026407 VHIOSDVLSSGTNC-GFCCVEGCSA-N 268.740 3.617 30 20 CHED CCC(=NNc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1C 841633497 KSVALTROHOHXLG-WPRPVWTQSA-N 265.288 3.568 30 20 CHED N#Cc1nc(Sc2ccccc2)sc1Cl 590569481 RYKZOBFWNLGTIP-UHFFFAOYSA-N 252.751 3.819 30 20 CHED C[C@H](CC/N=C\c1cccc(O)c1O)c1ccccc1 749749048 UKSRBMZOXDNYRM-FDIDITGRSA-N 269.344 3.711 30 20 CHED Cc1ccc(C(C)(C)CNc2nc(C)cc(C)c2C#N)nc1 599136912 DEOQTQODJCQCKE-UHFFFAOYSA-N 294.402 3.663 30 20 CHED Cc1ccc(N(C)C(=O)c2cccc(CC#N)c2)cc1C 917808337 HVAFTPUDPPOIOJ-UHFFFAOYSA-N 278.355 3.646 30 20 CHED C=CCCSCCNC(=O)Nc1c(C)cccc1CC 596626585 LADVUHWVDOTZHT-UHFFFAOYSA-N 292.448 3.988 30 20 CHED CCOc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)c(C)c1 849246061 PEQIFBYPOHPPDA-CSKARUKUSA-N 298.386 3.640 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1F 590632015 PPZINALHMWSWJA-HIFRSBDPSA-N 288.366 3.530 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)c1ccc(N(C)C)cc1 843269829 UMAOSEWNGWEMNG-KTKRTIGZSA-N 297.402 3.501 30 20 CHED CCOc1ccccc1C=NNc1ccc(C)cc1 916250688 UQYKPKNGHKLVLB-UHFFFAOYSA-N 254.333 3.840 30 20 CHED CCCCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 597172456 ACAUPDWESCNTMK-MRXNPFEDSA-N 286.419 3.991 30 20 CHED C=C(C)CCOC(=O)c1cnn(Cc2ccccc2)c1CC 744304094 DOYWCWQPTQIIOU-UHFFFAOYSA-N 298.386 3.617 30 20 CHED N#Cc1nc(Nc2ccn(-c3ccccc3)n2)ccc1Cl 749279690 XHCXJCLCYPACGW-UHFFFAOYSA-N 295.733 3.536 30 20 CHED C=C(C)CNc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 921190136 JBNXQYXJKZIDGO-OAHLLOKOSA-N 286.419 3.998 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCOc2ccc(F)cc21 924827539 UGURCZCOIKNYMO-SWLSCSKDSA-N 290.382 3.957 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cnn(-c3ccccc3)c2)no1 685364492 PUQQJQJYWFLTSD-KRWDZBQOSA-N 294.358 3.776 30 20 CHED Fc1ccc(CNN=Cc2ccccc2C2CC2)cc1F 751131713 XXOCJOYGMIWVOW-UHFFFAOYSA-N 286.325 3.966 30 20 CHED N#C[C@@H]1CCCN(C(=O)CCCCCc2cccs2)C1 928224996 VPNMKXZKEHVHNK-AWEZNQCLSA-N 290.432 3.613 30 20 CHED CCCCCCCOC(=O)c1ncnc2ccsc12 850309878 FFWVEHPUKZPONK-UHFFFAOYSA-N 278.377 3.819 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H]1C1CC1 858111825 VDOBXOPVYKRLCC-CQSZACIVSA-N 252.402 3.541 30 20 CHED C=CCCO[C@@H](C)C(=O)Oc1ccc(C(C)(C)C)cc1 921146426 YGXJWHIHXOGYID-ZDUSSCGKSA-N 276.376 3.871 30 20 CHED CCCn1nccc1/C=C1/CCCc2ccccc2C1=O 853001734 YUTBXMVMZDFARP-SQFISAMPSA-N 280.371 3.896 30 20 CHED COc1ccc(/C=C2\Cc3c(OC)cccc3C2=O)cc1F 759665530 PGSXRWFKTZWIBU-XYOKQWHBSA-N 298.313 3.665 30 20 CHED Cc1cc(C)cc(C=NNc2ncccc2Cl)c1 921257929 AMEAQLHFUYKPAK-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C=CCC1(NCc2cccnc2Cl)CCCC1 850388626 IGCSLKVHCXGUPR-UHFFFAOYSA-N 250.773 3.714 30 20 CHED C#CC[C@@H](NC(=O)N1CCC[C@@](C)(CC)C1)c1ccccc1 757773836 FLWCZVZJOJHNSI-IEBWSBKVSA-N 298.430 3.973 30 20 CHED Cc1nn(-c2ccccc2)cc1N[C@@H](C)CC(C)(C)C#N 926122026 LBTCMPKYJRGGHV-ZDUSSCGKSA-N 282.391 3.921 30 20 CHED Cc1ccc(-c2noc([C@@H](C)ON=CC3CC3)n2)cc1F 853734974 LBTBOYSLARMYOZ-SNVBAGLBSA-N 289.310 3.658 30 20 CHED C=C[C@@H](OC(=O)CCOCC(C)C)c1ccccc1 851452233 ICVYNJFYBZWYCV-OAHLLOKOSA-N 262.349 3.520 30 20 CHED C=CC(C)(C)CCOC(=O)c1ncsc1C(F)(F)F 851300173 LTYLENBFPVKWRX-UHFFFAOYSA-N 293.310 3.921 30 20 CHED N#Cc1csc(/C=C/C(=O)c2cc(F)ccc2F)c1 757473699 GKPARCKVUJCJTB-DUXPYHPUSA-N 275.279 3.794 30 20 CHED CC/C(=C\C(=O)N(CC)[C@@H](C)C#N)c1cccc(Cl)c1 856075023 HABJBPIKBOZZPD-CVCOIXHCSA-N 290.794 3.894 30 20 CHED CC(CCCC(F)(F)F)=NNc1ncc(Cl)cn1 857220583 JVRDFTVLUBVHJI-UHFFFAOYSA-N 280.681 3.650 30 20 CHED CC[C@H]1CC(=NNc2ccc3ccccc3n2)CCO1 756820957 RLBHRBJDUMLTIB-AWEZNQCLSA-N 269.348 3.592 30 20 CHED C#CCCCOC(=O)C[C@@H](CC)c1ccc(OC)cc1 752479546 RHMQVKRNCRXDDD-CQSZACIVSA-N 274.360 3.536 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C(\C)c1cccs1 857196239 OLSVISFSPWWPCC-YLSINNKHSA-N 261.390 3.719 30 20 CHED CCC/C=C/C(=O)OCc1ccc(C#N)cc1OC(F)F 752541466 PSZVJJXWUKLTIV-SNAWJCMRSA-N 295.285 3.559 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1 755328524 KJPNYPMWFXIDJV-RULNRJAQSA-N 293.313 3.818 30 20 CHED COc1cccc(C=NOC/C=C\c2ccccc2)c1OC 852148986 CKGOKNSIHZIFHI-MJJYTFKKSA-N 297.354 3.768 30 20 CHED CC(=NNCc1cccc(Cl)c1)c1ccc(O)cc1F 756827043 IIMCUWAYDVADMR-UHFFFAOYSA-N 292.741 3.699 30 20 CHED C=C[C@H](CC)CC(=O)N[C@](C)(CC)c1nc(C)cs1 933480958 XMEXSDYMICJJIZ-IUODEOHRSA-N 280.437 3.795 30 20 CHED C=CCCCC(=O)N(OC)[C@@H]1CCCOc2ccccc21 764671820 OVZPAWIBADNFQS-OAHLLOKOSA-N 289.375 3.647 30 20 CHED CCC(=NNc1cc(C)ccn1)c1ccc2c(c1)CCCO2 765581434 PLIFCKMDAWFONJ-UHFFFAOYSA-N 295.386 3.941 30 20 CHED N#Cc1cccc(Br)c1NCC1CCCC1 1162126237 HVAFTTDQNJXODQ-UHFFFAOYSA-N 279.181 3.923 30 20 CHED C#CCN(C(=O)c1cccc(NCC(C)(C)C)c1C)C1CC1 764480179 FKKSDPVNSYOLMC-UHFFFAOYSA-N 298.430 3.691 30 20 CHED Cc1cc(/C=C/C(=O)c2occc2C)cnc1Cl 769784419 USRGMVVZSDOCJQ-ONEGZZNKSA-N 261.708 3.841 30 20 CHED CC1(C)CCCN(C(=O)c2cc(Cl)cs2)[C@@H]1C#N 765160695 JPBCUELRTNFNRL-LLVKDONJSA-N 282.796 3.556 30 20 CHED Cc1cccc(C)c1C(=O)Nc1ccc(F)cc1OCC#N 760786416 QLZXFNZUGWGCBN-UHFFFAOYSA-N 298.317 3.597 30 20 CHED N#Cc1ccc(COC(=O)c2c[nH]c3ccc(F)cc23)cc1 764171496 HWUSCEKEOMCXLC-UHFFFAOYSA-N 294.285 3.536 30 20 CHED N#C[C@@H](C(=O)C1=CCCC1)c1ccc2ccccc2n1 761010248 HYVPUOHSKNFUPK-CQSZACIVSA-N 262.312 3.521 30 20 CHED CCON=Cc1ccc(OCc2ccc(C)cc2)cc1 767469479 MNJBKGQCYPTJRA-UHFFFAOYSA-N 269.344 3.944 30 20 CHED c1cc2c3c(c1)C(=NO[C@@H]1CCCCO1)C[C@@H]3CCC2 763369317 FKDFCNWERSVVPP-XJKSGUPXSA-N 271.360 3.758 30 20 CHED CC(=NNc1ncc(F)cn1)c1ccc(Cl)c(Cl)c1 760254443 LPRMICHBCNTBPY-UHFFFAOYSA-N 299.136 3.759 30 20 CHED CC(=O)[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccccc1 1118416021 HLJJHXHMOYSTSW-QGZVFWFLSA-N 299.370 3.724 30 20 CHED CC[C@@]1(C)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 769519133 KZDIERWONQMSPL-PBHICJAKSA-N 272.392 3.599 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(F)c(F)c1F 768744405 JHYBCYZVNWGSEK-UHFFFAOYSA-N 299.292 3.981 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H](F)C(C)C)CCCC1(C)C 767217987 DGDHNMDMOAHVAN-QWHCGFSZSA-N 255.377 3.574 30 20 CHED Cc1cc(/C=C2\Cc3ccc(F)cc3C2=O)ccc1C#N 766492108 VDXHULOYSARDSN-VIZOYTHASA-N 277.298 3.828 30 20 CHED CC[C@H](C)c1nnc([C@@H](C)Oc2ccc(C#N)cc2)o1 1117240217 OUSPUUICUZJORZ-WDEREUQCSA-N 271.320 3.595 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1ccc(C)c(C)c1O 777913025 GMEPTEYRHFJIKF-UHFFFAOYSA-N 289.766 3.894 30 20 CHED COc1ccc(CCC=NOCC(F)(F)F)c(C)c1 777442728 BWMCPXIACPOSAC-UHFFFAOYSA-N 275.270 3.501 30 20 CHED CC(C)(NCc1cccc(C#N)c1F)c1ccc(F)cc1 774683792 MGNJITXWGIIZDZ-UHFFFAOYSA-N 286.325 3.861 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CC[C@H](C)C2)C(C)C)c1 776318683 AEKSFMJSXORDOS-HOCLYGCPSA-N 269.388 3.846 30 20 CHED CC(C)(C)c1cc(NCCCCC#N)nc(Cl)n1 872443357 ZVUDIGDDUBJYBW-UHFFFAOYSA-N 266.776 3.533 30 20 CHED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 777912275 NSLLUQSWECHJFI-WQLSENKSSA-N 283.258 3.556 30 20 CHED C[C@H](CCC#N)CN1Cc2ccc(Br)cc2C1 877373803 KCBOAXAJVQIOSA-LLVKDONJSA-N 293.208 3.705 30 20 CHED N#C[C@H](OC(=O)c1ccccc1Cl)C1CCCCC1 776359404 JBUUPRVZYIPRAH-AWEZNQCLSA-N 277.751 3.969 30 20 CHED CC(CCCC(F)(F)F)=NNc1ccc([N+](=O)[O-])cn1 774367311 HNXYOKWZZGRLHX-UHFFFAOYSA-N 290.245 3.510 30 20 CHED C=CCCCCOc1ccccc1N=S(C)(C)=O 871768658 ULPABVXTUOIBGE-UHFFFAOYSA-N 267.394 3.781 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C(C)=C(/C)CC 779878554 DGLWGORCSCNQKB-NXVVXOECSA-N 271.404 3.990 30 20 CHED COC[C@H](C)NN=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 777901467 LTSWRBZBPWTOBX-OFQRWUPVSA-N 274.408 3.571 30 20 CHED C=CC(C)(C)CC(=O)NCc1ccc([C@H]2C[C@H]2C)o1 878315957 YOEBHQCXPFHSDO-YPMHNXCESA-N 261.365 3.622 30 20 CHED CC(=O)[C@](C#N)(CCN1CCCC(C)(C)C1)c1ccccc1 878101226 PJMOUEMZLLDMBR-LJQANCHMSA-N 298.430 3.549 30 20 CHED CC(C)(C)c1cc(N2CCC[C@@](C)(C#N)C2)nc(Cl)n1 872506993 ANNXQBXSMQVQES-HNNXBMFYSA-N 292.814 3.558 30 20 CHED CCCCCCCCOCC(=O)N1CC[C@H]1C(C)C 775899029 AIOTXLVVEKLSDX-HNNXBMFYSA-N 269.429 3.620 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H]1CC[C@H](SCC)C1 879169999 NRTKZSYGWARCGC-STQMWFEESA-N 269.454 3.721 30 20 CHED C=CCN(C)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 1116672611 CFSOBWLQENROLZ-UHFFFAOYSA-N 271.404 3.876 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccccc1CC#N 776895857 XZJKKEJZJPBCIU-SJLPKXTDSA-N 298.430 3.770 30 20 CHED C[C@H](CCNC(=O)c1ccc(C#N)cc1F)CC(C)(C)C 1128012753 DIMPBLHPQLASCM-GFCCVEGCSA-N 290.382 3.890 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](C)c1cccc(O)c1 879104650 OQLBLHJPYNWBHL-LBPRGKRZSA-N 261.365 3.514 30 20 CHED COc1cc(C#N)ccc1COc1ccc(C)nc1Cl 777547525 CARPDWLCIADXLT-UHFFFAOYSA-N 288.734 3.503 30 20 CHED C#CCCCCCC(=O)Nc1cccc2c1ccn2C 779897532 AGVLZITYGCOSDO-UHFFFAOYSA-N 268.360 3.701 30 20 CHED C[C@@H]1CC(C)(C)C[C@@H]1Nc1ccc(F)cc1OCC#N 775054932 BOCRFWXKSZUAAU-RISCZKNCSA-N 276.355 3.965 30 20 CHED CCCOc1ccc(C=NOCCC(F)(F)F)cc1 777455264 CAKRNVYHUXTZDW-UHFFFAOYSA-N 275.270 3.778 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C(=O)CC)ccc1O 880075196 HKHQDTTUHPGRKX-UHFFFAOYSA-N 275.348 3.526 30 20 CHED C#CCOc1ccc(CNC(C)(C)CC(F)(F)F)cc1 780587516 ONVUHFOPGPEKBT-UHFFFAOYSA-N 285.309 3.519 30 20 CHED N#CCOc1cc(F)ccc1NCCCc1ccsc1 782891543 AEMCGGCJOPNLDR-UHFFFAOYSA-N 290.363 3.834 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(CN2CCCCC2)cc1 882951084 NZLJSACNPOVTOL-GOSISDBHSA-N 299.418 3.551 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 785593050 CXTABOSWUQHQGK-HNNXBMFYSA-N 295.766 3.667 30 20 CHED C=CCc1cc(OC)cc(CN(CC(C)(C)C)OC)c1O 789514134 CQDAYTQIIYZSNJ-UHFFFAOYSA-N 293.407 3.539 30 20 CHED O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])c1cncs1 787172214 SWFAVKUDGGXOPK-JHMJBTLWSA-N 286.312 3.504 30 20 CHED CC/C=C\CCOC(=O)c1cc(-c2cccc(C#N)c2)no1 789124418 OIACBYJKTWJELR-ARJAWSKDSA-N 296.326 3.726 30 20 CHED CCO[C@H]1CC(=NN[C@@H]2CCOC(C)(C)C2)C1(CC)CC 780249688 HCCTXWYVZFEBCT-HIFRSBDPSA-N 296.455 3.505 30 20 CHED CC(=NOCC(F)(F)F)c1ccc(C#N)cc1Cl 788435804 YGJATISOFAKXAC-UHFFFAOYSA-N 276.645 3.515 30 20 CHED CC(=NNc1ccnc(F)c1)[C@H](C)c1ccccc1 781127589 OEMJRHYLVIHIPN-NSHDSACASA-N 257.312 3.812 30 20 CHED CC(=NN[C@@H]1CCCC1(C)C)c1ccc(C#N)s1 782302864 UZIWHWZFMFOQHR-CYBMUJFWSA-N 261.394 3.512 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1cc2ccccc2o1 786094464 ZFTVHJFBGWCUGY-NSHDSACASA-N 274.389 3.534 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1)c1cncs1 787173012 VQEXIHIWZJQODU-ZPUQHVIOSA-N 259.305 3.735 30 20 CHED CC#CCN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784484145 XMHKJSRCNQQFAF-ZDUSSCGKSA-N 267.294 3.518 30 20 CHED C=CC(C)(C)CC(=O)Nc1cnc(C(F)(F)F)cc1C 890993480 HHWZTWPAIBIBFY-UHFFFAOYSA-N 286.297 3.950 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 785599112 UTWDYXMAQJFKEI-GUYCJALGSA-N 274.408 3.532 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1ccc(F)cc1C 784048124 VMXBMHBWXOCHEX-UHFFFAOYSA-N 289.354 3.540 30 20 CHED C=C1CC(c2noc([C@H]3CCN(c4ccccc4F)C3)n2)C1 896878228 XZYKZUFTVCLHMU-LBPRGKRZSA-N 299.349 3.636 30 20 CHED CCC[C@](C)(CC)C(=O)Nc1cc(OC)c(C#N)cc1F 1131704935 PSZUWWFSQBKFDX-INIZCTEOSA-N 292.354 3.861 30 20 CHED CC[C@H](C)NN=Cc1ccc(-c2ccccc2F)o1 790190724 PVROBTMKVYESPN-NSHDSACASA-N 260.312 3.808 30 20 CHED C=C1CCC(C(=O)NCC(=C)c2ccccc2)CC1 890937883 SAFLSACNLAKNJW-UHFFFAOYSA-N 255.361 3.562 30 20 CHED CC(C)(C#N)CCCOC(=O)C[C@@H](CC#N)c1ccccc1 795985309 YVEFVLHWWYKWHC-MRXNPFEDSA-N 298.386 3.947 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)[C@H](C)c1cc2ccccc2o1 791075345 YIUUWIBCAYXLLY-HIFRSBDPSA-N 298.386 3.937 30 20 CHED Cn1cc(CC(=O)OCC(C)(C)CCC#N)c2ccccc21 798876499 UIGVNBCXDRZYMA-UHFFFAOYSA-N 298.386 3.594 30 20 CHED CC[C@@H](CC(=O)Nc1cc(F)cc(C#N)c1)C(C)C 1132219557 KLXBVXIPEMYURU-LBPRGKRZSA-N 262.328 3.708 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)c1nc(C)no1 793586160 GEVQUFMUVKHIBZ-NEPJUHHUSA-N 251.374 3.554 30 20 CHED COCCCON=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 795050492 DQIWUGIMYDUKLN-ZBFHGGJFSA-N 275.392 3.999 30 20 CHED CCC(CC)(CC)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1144854662 RVDVZEPFKKAKEA-UHFFFAOYSA-N 298.390 3.898 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cc(N2CCOCC2)ccc1C 797587308 IDCPWTVFFPVDET-GOEBONIOSA-N 288.435 3.844 30 20 CHED C[C@H](NC(=O)Nc1sccc1C#N)c1ccccc1 1202493979 PUBRKZQWGBKDAL-JTQLQIEISA-N 271.345 3.502 30 20 CHED CC(C)C1(COC(=O)c2cc3ccccc3n2CC#N)CC1 799673150 RPKTWFVVNIDYHR-UHFFFAOYSA-N 296.370 3.758 30 20 CHED CSc1ccc(C(C)=NNc2nccn2C)c(Cl)c1 790299262 ANCAUPKZYOMEFF-UHFFFAOYSA-N 294.811 3.632 30 20 CHED Cc1cc(CNC2(c3cccc(C#N)c3)CC2)cc(Cl)n1 797602721 VXYFFUJSLPBQOU-UHFFFAOYSA-N 297.789 3.694 30 20 CHED CCCCCCCCCN1CCOC[C@H]1c1noc(C)n1 792282192 OXFJIFSDRFWNPB-HNNXBMFYSA-N 295.427 3.502 30 20 CHED Cc1ccc2c(c1)CN(Cc1ccc(C#N)cc1F)CC2 1140136064 HPXFIKUQDCLIDY-UHFFFAOYSA-N 280.346 3.564 30 20 CHED CCC[C@H](C(=O)Nc1cc(C#N)ccc1OC)C(C)C 270659452 MKQXRBKMFAPLMZ-ZDUSSCGKSA-N 274.364 3.578 30 20 CHED Cc1nc(Sc2ncc(C(C)C)[nH]2)c(Cl)cc1C#N 1307169398 XVTWQXWUVFZHBH-UHFFFAOYSA-N 292.795 3.913 30 20 CHED N#Cc1cncc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)n1 1307078981 IISIGYOGYSOOAS-HNNXBMFYSA-N 294.333 3.535 30 20 CHED CC[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C)c(F)c1 1168489294 VYKXBQAKPLBLKC-XNRPHZJLSA-N 260.356 3.867 30 20 CHED CCOC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 57797185 SWDSARIZRIXYCS-UHFFFAOYSA-N 285.274 3.666 30 20 CHED C[C@@H](Cc1ccccc1Cl)Nc1ncc(C#N)cc1F 1162169908 BKQCLDGKGGOFPZ-JTQLQIEISA-N 289.741 3.789 30 20 CHED C[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F 1318749487 DNZUHYUJDLDXBT-SNVBAGLBSA-N 286.281 3.579 30 20 CHED N#CCOc1ccc(NC[C@H]2C[C@@H]2c2ccccc2)cc1 1319728738 CNWDNUFCMMURID-CRAIPNDOSA-N 278.355 3.805 30 20 CHED CC(C)C[C@H](C)Cc1nnc(-c2ccc(C#N)cc2)o1 1328347664 JBALUVTYPKESSS-LBPRGKRZSA-N 269.348 3.833 30 20 CHED Cc1cn(Cc2cnc(-c3ccccc3)s2)cc1C#N 1322744911 WJUPLZLVPIMCBO-UHFFFAOYSA-N 279.368 3.840 30 20 CHED C#Cc1ccc(CN2CCC(Nc3ccccc3)CC2)cc1 1323930931 PGYKZLIZCWKOFD-UHFFFAOYSA-N 290.410 3.744 30 20 CHED N#C[C@H]1CCC[C@H](NCc2sccc2Br)C1 192977933 GVHYKWOJUUYZDC-UWVGGRQHSA-N 299.237 3.683 30 20 CHED C=CCCCCCCCN[C@@H]1CCN(C)[C@@H](C)C1 810243823 VEEOPDFPLPRLKS-JKSUJKDBSA-N 252.446 3.585 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H]([C@H](C)O)C1 780803491 MFOQRPHASWJFDA-JKSUJKDBSA-N 283.456 3.747 30 20 CHED CCOc1ccc(/C=C\c2cc(C#N)ccn2)cc1 1256279392 OMGCMDLQHSIGRK-UTCJRWHESA-N 250.301 3.522 30 20 CHED N#CCC1(CNCc2cccc3ccccc23)CC1 88249871 KXOHRBQWVRXXAK-UHFFFAOYSA-N 250.345 3.623 30 20 CHED C#CCN(Cc1ccc(COC)cc1)C1CCCCC1 769145258 GNVWRNFDWMGXSO-UHFFFAOYSA-N 271.404 3.601 30 20 CHED C#CCCCCCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1254360253 XHBJSIUVFYKMLJ-HZPDHXFCSA-N 261.409 3.609 30 20 CHED Cc1cc(C#N)nc(N2CC[C@@H](CC(C)(C)C)C2(C)C)n1 1187026119 XBLQLEYXAOLVTD-ZDUSSCGKSA-N 286.423 3.698 30 20 CHED C=CC1CCN(C(=O)c2oc(C3CC3)nc2C(F)F)CC1 1338490324 CXZRCDCBTZXUST-UHFFFAOYSA-N 296.317 3.528 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)[C@@H](C)c1cccs1 1345045582 OBWCJBVKVDKAKT-KBPBESRZSA-N 299.395 3.620 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ncc(C)s1 1340097235 BIAYTEFHORLWOV-QWHCGFSZSA-N 293.436 3.653 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2cccc(F)n2)c1 1342647245 WMOQFMPQBWKEQB-ZNMIVQPWSA-N 294.329 3.509 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2csc(C#N)c2)cc1 1344048148 VZTNJRTWLYPFRK-GFCCVEGCSA-N 284.384 3.761 30 20 CHED C=CCN(Cc1cc(Cl)nc(Cl)c1)C(C)C 920086906 REWLOVGUHQOXGD-UHFFFAOYSA-N 259.180 3.785 30 20 CHED Cc1cc(NC(=O)NCc2ccc(C#N)cc2)ccc1Cl 1191731777 BOLXEMJCMSBPBV-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C=C[C@@H](CC(=O)N1c2ccncc2C[C@H]1C)c1ccccc1 1347083387 PTWPLJWFFFMIEM-CABCVRRESA-N 292.382 3.719 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)c1ncccc1C 1358474041 FRRIGMADNCRCTR-HNNXBMFYSA-N 289.423 3.839 30 20 CHED C=C(CC)C(=O)Nc1ccc2cnn(C(C)C)c2c1 1519288705 CFAZREHMJZJBER-UHFFFAOYSA-N 257.337 3.522 30 20 CHED C=C(CC(C)C)C(=O)N1CCC(c2ccco2)CC1 1528592882 UITZSRNSDJMLCU-UHFFFAOYSA-N 261.365 3.588 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccc(C)cc1 1520008207 IBUGWPMSNZGRAV-KRWDZBQOSA-N 296.345 3.887 30 20 CHED CCCC[C@H](SCc1ccc(C#N)cc1F)C(=O)O 1605252454 ZWDOMGMOOTYZJH-ZDUSSCGKSA-N 281.352 3.574 30 20 CHED C=C(Br)CN1CC[C@@H](Cc2ccccc2)[C@H]1C 1473216051 PHLZFUCQKDIXSA-HIFRSBDPSA-N 294.236 3.848 30 20 CHED O=C(O)c1ccc(/C=C/C(=O)c2c(F)cccc2Cl)o1 1610824513 ZEHINLBRHAKUCV-GQCTYLIASA-N 294.665 3.666 30 20 CHED C[C@H](Cc1ccc2c(c1)CCCC2)NCC1(C#N)CCC1 1621397729 QIHKMCKCDHSQFW-OAHLLOKOSA-N 282.431 3.780 30 20 CHED Cc1cc(C)c(CCNc2cc(C)c(C#N)cn2)c(C)c1 1639678713 LXPHFPHRLWCHQO-UHFFFAOYSA-N 279.387 3.842 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1F 1562915714 QCULMMMMGUPYPB-OCCSQVGLSA-N 289.354 3.788 30 20 CHED CN(Cc1ccc(C#N)cc1Cl)C1CCCCC1 162858624 YWASDVKTKZTWEH-UHFFFAOYSA-N 262.784 3.976 30 20 CHED CCCCCCCCNC(=O)C1(C#N)CCCCC1 106001129 UINROJUMZITOIY-UHFFFAOYSA-N 264.413 3.937 30 20 CHED CO[C@@H](COc1ccc(C#N)c(F)c1)c1ccc(F)cc1 1640924820 UWLGFVVKRJBVNP-INIZCTEOSA-N 289.281 3.603 30 20 CHED N#Cc1cnccc1Oc1cccc(-c2ccccn2)c1 1640205285 JLOVXZIBZCXORA-UHFFFAOYSA-N 273.295 3.808 30 20 CHED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)[C@H]1C 1653942487 NRUOUHMXVHBIEC-ILXRZTDVSA-N 270.420 3.964 30 20 CHED COc1cccc(CN2CCCC(C)(C)[C@@H]2C#N)c1C 1654372842 ZWLMHNMNRXOBHO-INIZCTEOSA-N 272.392 3.518 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC1CC2(CCCC2)C1 1659092176 MJSGLTMKGPTTED-KRWDZBQOSA-N 266.388 3.858 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)cc(C#N)c1 1662637501 HDMWXNBDZXJNEC-GOEBONIOSA-N 285.391 3.957 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1cccc(C#N)c1 1665581917 FORFHEKKHGWPKH-WFASDCNBSA-N 285.391 3.895 30 20 CHED CC(C)CCOC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1663934459 QJUPYGXYKTXPAF-MRXNPFEDSA-N 286.375 3.708 30 20 CHED N#Cc1cc(NCCc2cc(Cl)cc(Cl)c2)ccn1 1639375357 VRFUJCWPWKRUHT-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CC(C)c1ccc(/C=C\C(=O)c2cncc(C(=O)O)c2)cc1 1776372436 JIAWDNRTINLASS-YVMONPNESA-N 295.338 3.799 30 20 CHED Cc1cc2c(s1)CCC2=NNc1cccc(C(=O)O)c1 1776038356 GMJPZZCCQRTKEB-UHFFFAOYSA-N 286.356 3.517 30 20 CHED C[C@@H]1CCC(F)(F)CCC1=NNc1cccc(C(=O)O)c1 1776038320 DFCJTKWAANZSHD-SNVBAGLBSA-N 296.317 3.998 30 20 CHED CCOc1ccc(O)c(/C=N/CC2(c3ccccc3)CC2)c1 11115033 OKBXTAFTTMWKNN-DEDYPNTBSA-N 295.382 3.942 30 20 CHED O=C(O)c1ccc(/C=C2\CSc3ccccc3C2=O)cc1 13004384 CURSLZRHPWEDBJ-UKTHLTGXSA-N 296.347 3.757 30 20 CHED Cc1cccc(F)c1NC(=O)c1ccc(C#N)c(Cl)c1 160058535 AGCONDWNMDSQLI-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=C(C)COCCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 163512354 OLWXMKWBHWYMLM-BZUAXINKSA-N 251.414 3.528 30 20 CHED CC(C)(C#N)CCN1CCC(C(=O)c2ccccc2)CC1 157579767 GCRIVRUPQBSDOK-UHFFFAOYSA-N 284.403 3.521 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1C 209643240 BCLXKCPMEVGYNF-VURMDHGXSA-N 297.310 3.808 30 20 CHED COc1ccc(C#N)cc1NCC[C@@H]1CC1(Cl)Cl 819069277 ODFHGTLYGYRZMU-SNVBAGLBSA-N 285.174 3.563 30 20 CHED N#Cc1cnc2ccccc2c1NCC1CCSCC1 229344192 QNRLGNBIBPJYHI-UHFFFAOYSA-N 283.400 3.662 30 20 CHED CC[C@](C)(C#N)C(=O)NC1CC(C)(C)CC(C)(C)C1 125655585 LHMQXVCPGMSPFO-MRXNPFEDSA-N 264.413 3.647 30 20 CHED C=C(C)COCCNc1ncc(C(F)(F)F)cc1Cl 125675411 OYTHSKSWIUKKSU-UHFFFAOYSA-N 294.704 3.758 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCN2CCC[C@@H]2C1 157549865 AOOIEBCGQGVXEZ-YESZJQIVSA-N 266.473 3.952 30 20 CHED C=C(C)COCCNCc1ccc(F)c(C(F)(F)F)c1 160158854 GQNGCAWHNJSRDB-UHFFFAOYSA-N 291.288 3.527 30 20 CHED N#Cc1cccc(-c2csc(-c3ccccn3)n2)c1 62938269 VARCKBHIWPAGRZ-UHFFFAOYSA-N 263.325 3.744 30 20 CHED CC(C)O[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 404672411 CSSVKKXCSNMOPR-AWEZNQCLSA-N 278.783 3.605 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CSCCC 470642512 BFPPYQWEDRHTHR-UHFFFAOYSA-N 277.433 3.735 30 20 CHED CC(C)OC1CCN(c2ccc(C#N)cc2Cl)CC1 702566538 KLVMJWFFGOGTPP-UHFFFAOYSA-N 278.783 3.605 30 20 CHED CC(C)(C)CN(Cc1ccccc1)CC1(C#N)CC1 578537406 YFSRVGCIXIGOMK-UHFFFAOYSA-N 256.393 3.838 30 20 CHED C=CCN(Cc1ccccc1)C[C@@H]1CCC(C)(C)O1 480509828 DWKHOFSEVANYDS-INIZCTEOSA-N 259.393 3.632 30 20 CHED CCOC1CCC(Nc2ccc(CC#N)cc2)CC1 597083067 JYMLGMZTDSLMKQ-UHFFFAOYSA-N 258.365 3.512 30 20 CHED C=CCCSCCNc1nc(C(C)(C)C)ns1 696138762 HSMKVXWWVFUAGM-UHFFFAOYSA-N 271.455 3.557 30 20 CHED CON=Cc1ccc(-c2ccc(Br)cc2)o1 767478096 OLUURLCJUORTGX-UHFFFAOYSA-N 280.121 3.689 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cccc(F)c2)cc1 28495490 NLMOWSFHLOOHSU-CMDGGOBGSA-N 251.260 3.593 30 20 CHED Cc1ccccc1[C@@H](C)NCc1cccc(OCC#N)c1 37220736 SKKHQCCJTTYBGS-OAHLLOKOSA-N 280.371 3.748 30 20 CHED C=C(Br)COc1ccccc1Br 37681505 NSKUWAGXXAHAIL-UHFFFAOYSA-N 291.970 3.737 30 20 CHED N#C[C@@H](NC(=O)CCC1CCCC1)C1CCCCC1 40359997 JFHXYHZSPQACRC-OAHLLOKOSA-N 262.397 3.545 30 20 CHED N#Cc1nnc2ccccc2c1NCc1ccccc1Cl 41529744 QHCWBBTYEFJVMY-UHFFFAOYSA-N 294.745 3.767 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCc1cccs1 42838006 NWFWVFGZSGQOJX-UHFFFAOYSA-N 286.400 3.646 30 20 CHED Cc1ccc(N(C)Cc2ccc(C#N)cc2)c(C)c1 48346102 CMWUKCDRQFDSEU-UHFFFAOYSA-N 250.345 3.812 30 20 CHED N#Cc1cc(NC(=O)c2cccc(Cl)n2)ccc1Cl 51073194 XNMKHTGXRFMVIL-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CC(C)c1ccc(NC(=O)c2sccc2C#N)cc1 52027864 NMNBFPHCGDDYBC-UHFFFAOYSA-N 270.357 3.995 30 20 CHED CCC[C@H](NC(=O)c1sccc1C#N)c1ccccc1 52028967 OCUBIMIZIZUARJ-AWEZNQCLSA-N 284.384 3.891 30 20 CHED CC[C@H](CC#N)N[C@H](C)c1ccccc1Br 54182911 WGUAFANTXOXDKW-GHMZBOCLSA-N 281.197 3.792 30 20 CHED N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1 61889446 GXTBROOTITVAGK-CABZTGNLSA-N 297.280 3.519 30 20 CHED N#Cc1cccc(CNc2cccc(NC(=O)C3CC3)c2)c1 74334267 HNLCKYOFSARZLN-UHFFFAOYSA-N 291.354 3.519 30 20 CHED CC(C)C[C@H](C)CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 76100138 LSJIZKZVMIUPPS-QWHCGFSZSA-N 283.375 3.811 30 20 CHED COc1ccc(CNc2ccc(F)c(C#N)c2)cc1Cl 86585922 HQRPZSDTENSJDB-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C[C@H](NCCCC(C)(C)C#N)c1ccc(C#N)cc1 87597436 RIHYFZAAXIJRTA-ZDUSSCGKSA-N 255.365 3.539 30 20 CHED C=CCCCN1CCC(OCc2ccccc2OC)CC1 92423400 CBFWMGUQVIOAOT-UHFFFAOYSA-N 289.419 3.642 30 20 CHED CCOCCC1(CNc2ccc3cc(C#N)ccc3n2)CC1 92924261 SXLJCGOOVPTPQZ-UHFFFAOYSA-N 295.386 3.725 30 20 CHED CCOC(=O)[C@H](C)/C(=N/c1ccccc1)C(F)(F)F 100480264 UMYPDPFVEBBHKV-IYKHAPDZSA-N 273.254 3.521 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2cc(Cl)ccc2[nH]1 116863090 CUQRYMLBJXYARR-SECBINFHSA-N 262.740 3.516 30 20 CHED C=CCCCN(C)Cc1ccccc1N1CCCC1 118000090 BZGYERABYDRUBM-UHFFFAOYSA-N 258.409 3.685 30 20 CHED O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(F)cc1F 120867077 KURDTTNHZSDIGP-ORCRQEGFSA-N 278.229 3.706 30 20 CHED Cn1cc(CNc2ccc(C#N)cc2)c(-c2ccccc2)n1 122480948 OZCCHNGGPPHVNF-UHFFFAOYSA-N 288.354 3.571 30 20 CHED C=CCCCN(C)C(=O)c1cnn(C(CC)CC)c1C 122665220 ZMBLQHAIXCNCKY-UHFFFAOYSA-N 277.412 3.591 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1 127771414 DSDSEXJFPCYEKB-PBHICJAKSA-N 299.418 3.526 30 20 CHED C=C[C@H](CC(=O)NC(C1CC1)C1CC1)c1ccccc1 128809825 JLMYIMWTHJDZJP-CYBMUJFWSA-N 269.388 3.651 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cc(F)c(F)cc1F 129707234 OGNXPYSESVKJJQ-UHFFFAOYSA-N 298.308 3.506 30 20 CHED C#Cc1cccc(NCc2cc(C)c(C)cc2O)c1 130460204 ANTUAHHKQHDZSA-UHFFFAOYSA-N 251.329 3.602 30 20 CHED C=C(Cl)CN[C@H](c1ccccc1)c1ccccn1 130929913 ONVAXJXHLFWQNF-OAHLLOKOSA-N 258.752 3.513 30 20 CHED COc1ccccc1COc1cccc(N[C@H](C)C#N)c1C 133129733 KRBUCRKRBADAJK-CYBMUJFWSA-N 296.370 3.907 30 20 CHED CC(C)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)no1 134161692 UHFDLVDEUQROIS-UHFFFAOYSA-N 289.722 3.575 30 20 CHED CC(=O)c1ccc(NCc2ccc(C#N)cc2F)cc1C 135065105 IGUVPNQKVHNXLP-UHFFFAOYSA-N 282.318 3.821 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1ccc(C#N)cc1 135210789 RVPVZLZAOMPGOZ-JLSDUUJJSA-N 296.414 3.670 30 20 CHED C[C@H]1CC[C@@H](C)N1Cc1ccccc1C(C)(C)C#N 135286224 SCCBVPHIVGTICV-OKILXGFUSA-N 256.393 3.861 30 20 CHED C=CCCSCC(=O)Nc1ccc(F)c(Cl)c1 151985207 VCOBHMFKOUADMK-UHFFFAOYSA-N 273.760 3.727 30 20 CHED CC(C)C[C@@H](NC(=O)CC#N)c1cccc(C(F)(F)F)c1 153730599 PGZMPESFBRDLJI-CYBMUJFWSA-N 298.308 3.822 30 20 CHED Cc1ncsc1CN(Cc1ccc(C#N)cc1)C(C)C 154384197 IPOKHYOJTVCJBF-UHFFFAOYSA-N 285.416 3.734 30 20 CHED N#CCCn1ccc(N[C@@H]2CCc3c(Cl)cccc32)n1 154787681 ZMFNLCBMTYEQNH-CQSZACIVSA-N 286.766 3.550 30 20 CHED C#CCCCCNC(=O)N(Cc1ccc(CC)cc1)C1CC1 155071462 NQAYYQUEOQZMFZ-UHFFFAOYSA-N 298.430 3.727 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)s1 155255027 ZXOFILIRDNFECT-SNVBAGLBSA-N 251.395 3.740 30 20 CHED C#CCCOC(=O)c1cc(-c2ccccn2)ccc1Cl 155928668 DIDQIXQYHGBZFG-UHFFFAOYSA-N 285.730 3.582 30 20 CHED CCN(C(=O)C1CCCC1)c1ccc(C#N)c(Cl)c1 156574960 HWAHAUDXSGFOOW-UHFFFAOYSA-N 276.767 3.755 30 20 CHED C[C@H](CCC(=O)[C@H](C#N)c1ccccn1)c1ccccc1 160142651 ICPHXKFKDWIFPA-GDBMZVCRSA-N 278.355 3.842 30 20 CHED Cc1cc(C(=O)Nc2ccc(F)cc2C#N)cc(C)c1F 160499168 CUKLNXURBIBKMC-UHFFFAOYSA-N 286.281 3.706 30 20 CHED C[C@@H](NCCC(C)(C)C)c1ccc(OCC#N)cc1 163953265 FABZQXYRMWHAAU-CYBMUJFWSA-N 260.381 3.676 30 20 CHED C/C(=C\C(=O)N1CCC(C#N)CC1)c1ccccc1Cl 170758294 LBVTUHRJQBSNDD-ZRDIBKRKSA-N 288.778 3.505 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1ccc(O)c(F)c1 170851821 QRYDXQKXUTUZHX-ORCRQEGFSA-N 278.229 3.706 30 20 CHED N#Cc1ccc(NC(=O)C2CCCCCCC2)cc1C#N 173098246 YLZFYHWQCDJFHP-UHFFFAOYSA-N 281.359 3.729 30 20 CHED CCOCc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 173895638 SFAKWYZJQRJIHD-OAHLLOKOSA-N 294.398 3.946 30 20 CHED C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)[C@@H]1c1ccccc1 174021822 VBTWIDPSUSIGBF-KDOFPFPSSA-N 290.366 3.586 30 20 CHED C[C@@H](Nc1ccc2c(c1)NC(=O)CC2)c1ccc(C#N)cc1 174190010 PXVZGBVXVSDRJF-GFCCVEGCSA-N 291.354 3.616 30 20 CHED C=CCCCC(=O)N[C@H](c1ccc(OC)cc1)C(C)C 175780731 XWPPMECZYBKYPY-KRWDZBQOSA-N 275.392 3.865 30 20 CHED C=CCCCC(=O)N1C[C@@H](C(C)C)Nc2ccccc21 176102842 HTNTUYXWNOUICY-HNNXBMFYSA-N 272.392 3.826 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)CCC1CCC1 176142284 MVOVKIGGRDSXPZ-UHFFFAOYSA-N 286.375 3.864 30 20 CHED CC(C)(C#N)CCCSc1nncn1-c1ccccc1 177170238 UCAMEYRAWVIKHF-UHFFFAOYSA-N 286.404 3.689 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2ccccc2o1 182598985 GEDNTPITVPZKKU-GFCCVEGCSA-N 257.333 3.907 30 20 CHED COc1ccc(F)cc1NCc1ccc(Cl)cc1C#N 184499737 DAVKZKNMXZCRLO-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccccc2OCC2CC2)C1 185730277 JLLZCAFCJMQHAG-GJZGRUSLSA-N 270.376 3.970 30 20 CHED CCCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 185871175 MURJWLFFNOGJIE-UKRRQHHQSA-N 258.365 3.970 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H](CC)SC)c1ccc(F)c(F)c1 186033297 DKVPVQJBCLCQSD-UONOGXRCSA-N 299.386 3.840 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc(O)c1F)c1ccccc1 187398411 YUCRISSACLYYCX-CYBMUJFWSA-N 285.318 3.830 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C/c1cccc(F)c1 187523035 CLJVHRHBPRAGMO-MDZDMXLPSA-N 288.366 3.770 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 187771115 KXNNZYDHTBRBIW-INIZCTEOSA-N 269.348 3.618 30 20 CHED C[C@H](NCc1cc(C#N)n(C)c1)c1cccc2ccccc12 189578784 GRCBBHZVLBIIAZ-AWEZNQCLSA-N 289.382 3.901 30 20 CHED Cn1ccc2ccc(NCc3cc(C#N)ccc3F)cc21 190617227 ZLAGLSYWHBDVEA-UHFFFAOYSA-N 279.318 3.801 30 20 CHED C=CCSCCNC(=O)Nc1ccc(F)cc1Cl 194596364 HUYVISNZNLTNGB-UHFFFAOYSA-N 288.775 3.520 30 20 CHED N#Cc1ccccc1COC(=O)/C=C\Sc1ccccc1 214977416 MAFXQYGDLDPVBP-KHPPLWFESA-N 295.363 3.907 30 20 CHED C[C@H]1CN(CCCSCC#N)CC[C@H]1c1ccccc1 245494798 ODRWWMNADYIEKD-DOTOQJQBSA-N 288.460 3.759 30 20 CHED CCOc1cccc(C=Nc2ccc(F)cc2C)c1O 254740869 KTUXEVJASRLBKS-UHFFFAOYSA-N 273.307 3.989 30 20 CHED N#Cc1ccc(/C=C2\Oc3c(Cl)cccc3C2=O)s1 254950571 OMYMGNZVTPVUAL-SDQBBNPISA-N 287.727 3.889 30 20 CHED Cc1cccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])c1 255830511 DWCMXEPEXRKWAE-YVMONPNESA-N 283.283 3.505 30 20 CHED CC[C@@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 264537780 MAEZCEBJSITMRO-NWDGAFQWSA-N 291.420 3.858 30 20 CHED N#Cc1cnc(N2CCC[C@H]2c2ccccc2)c(Cl)c1 265172945 YXYMRJWIYSGXSH-HNNXBMFYSA-N 283.762 3.948 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(Cl)c1Cl 267294180 YUKNZVIGQIJBEF-SNVBAGLBSA-N 285.174 3.661 30 20 CHED Cc1cnc(N[C@@H](CCC#N)c2ccccc2)nc1C 270702386 IJVUYLZGDOXTMC-HNNXBMFYSA-N 266.348 3.550 30 20 CHED CCCCCCCCNC(=O)[C@@H](C)c1c(C)n[nH]c1C 273080241 AZGRXXCPEMSFNW-LBPRGKRZSA-N 279.428 3.607 30 20 CHED C[C@H](NCCCC#N)c1ccccc1OC(F)(F)F 273300023 UNWPQWOPVUJSOJ-JTQLQIEISA-N 272.270 3.540 30 20 CHED CN(CCCCC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273420798 JUENPPKRUZJZNK-IAGOWNOFSA-N 290.382 3.671 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ncc(-c2ccccc2)o1 274416482 HYLHSVFBAVNOIT-GZBFAFLISA-N 281.359 3.684 30 20 CHED C=CCN(C)C(=O)Nc1c(C)cc(C)cc1Br 275269577 UKXIIGQUFHBKTG-UHFFFAOYSA-N 297.196 3.716 30 20 CHED C[C@@H](c1ccccn1)N(C)CCCCC(C)(C)C#N 277576626 BUQKXCZAORVGHZ-AWEZNQCLSA-N 259.397 3.794 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]([C@H](C)CC)C(F)(F)F 277763114 SAAWZAMCORCJBD-ZYHUDNBSSA-N 277.330 3.848 30 20 CHED CC(C)(C#N)CC(=O)N1CC2(CCCC2)c2ccccc21 279094589 WPEKERYGMGMEOP-UHFFFAOYSA-N 282.387 3.785 30 20 CHED C#CCCCCC(=O)Nc1ncc(C)c(-c2ccccc2)n1 281270284 WBMKTMXGINWCDS-UHFFFAOYSA-N 293.370 3.584 30 20 CHED Cc1oc(C(C)C)cc1C(=O)NCc1cccc(C#N)c1 285439776 LZTCXFNTWIQRCM-UHFFFAOYSA-N 282.343 3.513 30 20 CHED C[C@@H]1CN(c2nc(Cl)c(C#N)s2)[C@@H]2CCCC[C@@H]12 286771641 IGEDNLTVJUQORU-KXUCPTDWSA-N 281.812 3.683 30 20 CHED CC#CCCCc1nc(-c2c[nH]c3ccccc23)no1 289002727 HEWFTKPCZCJOSS-UHFFFAOYSA-N 265.316 3.564 30 20 CHED Cc1cc(C(F)(F)F)nn1[C@@H](C)c1ccc(C#N)cc1 289930171 VEEGSMCYUIMYRG-JTQLQIEISA-N 279.265 3.691 30 20 CHED C=CCC(CC=C)C(=O)N(CC)[C@@H]1CCOC(C)(C)C1 291697748 UEVYHLBKEMTPHB-OAHLLOKOSA-N 279.424 3.561 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(SC)cc1 295230447 ZAATVXRUCMZTFE-NSHDSACASA-N 263.406 3.798 30 20 CHED C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C 295366603 WJEYAZJZCLVKRL-HIFRSBDPSA-N 257.377 3.603 30 20 CHED CCn1ccnc1[C@H](C)Nc1cccc(OCCCC#N)c1 297083111 WWWISGPKVWGHMJ-AWEZNQCLSA-N 298.390 3.759 30 20 CHED C=CCCc1noc([C@H]2C[C@@H]2c2cccc(F)c2F)n1 297273573 KXIPHJGTTHONGX-MNOVXSKESA-N 276.286 3.738 30 20 CHED COc1ccc(CN(c2ccc(C#N)cc2)C2CC2)cc1 301234460 CISDPTZINBCLTN-UHFFFAOYSA-N 278.355 3.736 30 20 CHED C[C@@H](c1ccccc1F)N(C)c1ccc(C#N)cc1[N+](=O)[O-] 301284268 QXNQXLGMPFNZOP-NSHDSACASA-N 299.305 3.803 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3C[C@@H]4CCC[C@H]4C3)c2c1 301598645 HIUDGOBJLMVRLZ-GJZGRUSLSA-N 291.398 3.960 30 20 CHED C=CCCCOC(=O)/C=C/c1nc2ccccc2s1 303685162 KDUKHYXVEUXPPE-MDZDMXLPSA-N 273.357 3.819 30 20 CHED CC[C@H]1CCCCN1CCNc1cc(Cl)ccc1C#N 303793378 QQGJWGAGPWRYCZ-HNNXBMFYSA-N 291.826 3.888 30 20 CHED Cc1ccc(N/C(N)=N/CC2(c3ccccc3C)CC2)cc1 303985703 TWSKTOQSYDQREP-UHFFFAOYSA-N 293.414 3.762 30 20 CHED Cc1ccc(N/C(N)=N/CC2(c3cccc(F)c3)CC2)cc1 304759338 RAADKROSPVFNBR-UHFFFAOYSA-N 297.377 3.593 30 20 CHED Cc1nc(C#N)cc(Nc2cccc(C(C)C)c2)n1 308191436 OHZRFULYYHVHLR-UHFFFAOYSA-N 252.321 3.524 30 20 CHED C=CCC(C)(C)CNc1ncc(Cl)cc1[N+](=O)[O-] 311148412 IASWYGJGIYCGAI-UHFFFAOYSA-N 269.732 3.657 30 20 CHED CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(C#N)c1 315965879 QKOYXLKYAUKEST-UHFFFAOYSA-N 294.398 3.737 30 20 CHED C[C@H](N[C@H](C1CCC1)C1CC1)c1ccc(C#N)cc1 324668372 KHYCYMPATMLEMZ-YVEFUNNKSA-N 254.377 3.788 30 20 CHED O/C(=N/CCC1CCCCC1)c1ncoc1C1CC1 328763729 OJTGWVQBOCODJT-UHFFFAOYSA-N 262.353 3.827 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)c2cccc3c2CCC3)o1 329258577 YKTMKPIHGBRGFZ-NSHDSACASA-N 270.332 3.538 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cccc3c2CCCC3)CC(O)=N1 329334197 KOVUKYMTRWVLAM-WCQYABFASA-N 286.375 3.908 30 20 CHED CC1CCC(C/N=C(/O)c2snnc2C2CC2)CC1 329773089 HWZPGJCAXQPLBT-UHFFFAOYSA-N 279.409 3.546 30 20 CHED CC(C)(C)c1ccc(N/C(O)=N/C[C@H]2CCCCO2)cc1 330636038 UTVGPKFRQVARDM-OAHLLOKOSA-N 290.407 3.879 30 20 CHED CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)Nc1ccc(Cl)cc1 331001235 WZFCVGWQFPZRMI-BXUZGUMPSA-N 296.798 3.727 30 20 CHED N#Cc1cc(N(C#N)CCC2CCCC2)ccc1F 331170201 OLOGLBBBCNBNOX-UHFFFAOYSA-N 257.312 3.565 30 20 CHED C=CC[C@H](C)/N=C(/O)Nc1ncc(C(C)(C)C)s1 331258448 ZJKZHDORYZTFKE-VIFPVBQESA-N 267.398 3.731 30 20 CHED CC[C@H](/N=C(/O)c1scnc1C(C)C)[C@@H]1CCCO1 331338171 RBKPJBBBJPAKHJ-QWRGUYRKSA-N 282.409 3.529 30 20 CHED C=CC1CCN(C(=O)Nc2ncsc2C(C)C)CC1 335995684 RANCBFOJIRBOPN-UHFFFAOYSA-N 279.409 3.696 30 20 CHED Cc1ccoc1CN[C@H]1CCCc2cc(C#N)ccc21 336105633 ROAYJQXGMDKYSE-INIZCTEOSA-N 266.344 3.627 30 20 CHED CC(C)n1ncc2ccc(N[C@H]3CC[C@@H](C#N)C3)cc21 336171114 GWGZPNXLQNABHD-OCCSQVGLSA-N 268.364 3.721 30 20 CHED CCN1CC[C@@H](N(C)CCCCC(C)(C)C#N)C[C@H]1C 336827827 KCGGQIPQQILJJY-HZPDHXFCSA-N 279.472 3.511 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCCc2ccccc21 337772421 WAFZGILQOJZNMI-GOSISDBHSA-N 290.366 3.674 30 20 CHED C[C@H](C#N)CN(C(=O)[C@@H](C)c1cc2ccccc2o1)C1CC1 338303720 WUTBCMRKGDHUSC-OLZOCXBDSA-N 296.370 3.687 30 20 CHED Cc1ccnc(CNc2cc(C#N)ccc2C(F)(F)F)c1 338763280 SMGLGCBLNNBFIM-UHFFFAOYSA-N 291.276 3.893 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1C[C@@H]1c1ccccc1 341153455 XZEDDQRSZJWJCB-DLBZAZTESA-N 298.430 3.969 30 20 CHED C=CCOc1ccc(C(=O)N[C@H](C)c2cc(C)oc2C)cc1 342785047 XQHBWFWXBKUFLY-CYBMUJFWSA-N 299.370 3.952 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(-n2cccn2)cc1 343304361 OSHRRXPDNDGMSM-CQSZACIVSA-N 298.390 3.739 30 20 CHED N#CC1(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 343579003 GCDLORSJSRNQPQ-LBPRGKRZSA-N 286.272 3.713 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(F)c(C#N)c2)C1 344380508 PKQSCTAJMQCOIT-MRXNPFEDSA-N 260.356 3.709 30 20 CHED CCN(Cc1cccc(C(F)F)c1)C[C@@H](C)C#N 347970911 XTMNILVRSIAWGG-NSHDSACASA-N 252.308 3.606 30 20 CHED COc1ccc(/C=C\c2ccncc2C#N)c(Cl)c1 349107018 JGHYJYIOIZZYST-IHWYPQMZSA-N 270.719 3.786 30 20 CHED C=CCn1c(SCc2cnc(C)cn2)nc2ccccc21 352538057 DSTVANDTWNPYIB-UHFFFAOYSA-N 296.399 3.613 30 20 CHED CC(C)n1nccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 353830599 MWLLZDRTPIAPJX-UHFFFAOYSA-N 296.374 3.517 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1cnccc1C#N 354584597 GXJAVCNTPUQZHP-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C[C@@H]1CC[C@@H](CNCc2cccc(OCCCC#N)c2)C1 355604047 YVCSWONYYBPHKN-NVXWUHKLSA-N 286.419 3.895 30 20 CHED C=CCOCCCSc1nccn1Cc1ccccc1 356018532 DJDHFGUHBPBONY-UHFFFAOYSA-N 288.416 3.616 30 20 CHED C=CCOCCCSCc1ccc(C)nc1C 359133050 WKDYFZVZAHMEJX-UHFFFAOYSA-N 251.395 3.524 30 20 CHED C[C@H](NC[C@H]1OCCc2ccccc21)c1cccc(C#N)c1 367748736 JUNUTDZXXCHNOO-IFXJQAMLSA-N 292.382 3.523 30 20 CHED CC(C)CN(C(=O)Cc1ccc(C#N)cc1)c1ccccc1 390379224 UMUGUQUYFXTSGB-UHFFFAOYSA-N 292.382 3.790 30 20 CHED CCC(CC)(CC)CNC(=O)C(C#N)(CC)CC 391268479 FFWQDAJWKYNXAA-UHFFFAOYSA-N 252.402 3.649 30 20 CHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 398205766 YBVFGWHCBNPQMM-OLZOCXBDSA-N 261.365 3.811 30 20 CHED CCN(CC)C[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 411303202 UYANXCPIFLYTEX-KRWDZBQOSA-N 291.483 3.514 30 20 CHED C[C@@H]1C[C@@H](CNc2cc(C#N)ccc2C(F)(F)F)[C@@H](C)O1 413526331 BLUBRNXSHNLUNH-FOGDFJRCSA-N 298.308 3.802 30 20 CHED CC[C@H](NC1CCC(OC)CC1)c1ccc(C#N)cc1 414166164 DNSFSRYPXQNLAM-JCYILVPMSA-N 272.392 3.557 30 20 CHED CN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCCC1 416661626 MRZOLELTXGVTRD-QGZVFWFLSA-N 297.402 3.520 30 20 CHED N#CC1(COc2cnc3ccc(Cl)cc3c2)CCC1 419010004 OSHSOXRZHHMUQF-UHFFFAOYSA-N 272.735 3.961 30 20 CHED CCCC1(c2noc(-c3ccc(C#N)c(C)n3)n2)CCC1 420517778 MWYUYTUMCXYZDI-UHFFFAOYSA-N 282.347 3.534 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(CN(C)C)c(C)c1 424883424 AWZGXLRYORYUQV-UHFFFAOYSA-N 274.408 3.597 30 20 CHED CC(C)n1cccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425138560 YVSARBPKZJILSQ-CQSZACIVSA-N 295.386 3.774 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCc2cccnc21 425176240 MHMCKEXBVNEZJN-KRWDZBQOSA-N 298.430 3.706 30 20 CHED N#Cc1c(N(Cc2cccs2)C2CC2)ncc2c1CCC2 425208528 MZOJDABREWYJPV-UHFFFAOYSA-N 295.411 3.672 30 20 CHED C=CCN(CCC#N)Cc1ccc(OC)c2ccccc12 430112771 ZFENMVMVOYSVEQ-UHFFFAOYSA-N 280.371 3.750 30 20 CHED Cc1ccc(C#N)c(NC[C@@H](c2ccccc2)C2CC2)n1 431495695 QYWOQFKWZGTSTJ-KRWDZBQOSA-N 277.371 3.867 30 20 CHED CN(CC(C)(C)C#N)c1ncnc2sc3ccccc3c12 432155207 JYIKPBLUGMFWGC-UHFFFAOYSA-N 296.399 3.830 30 20 CHED N#Cc1nn(C[C@H]2CCc3ccccc32)c2ccccc12 432466870 UXFZECYFORNFAK-CQSZACIVSA-N 273.339 3.638 30 20 CHED CN(Cc1csc(C2CCCC2)n1)CC(C)(C)C#N 433320225 RIQQKQASWGDJPA-UHFFFAOYSA-N 277.437 3.782 30 20 CHED CC(C)n1ccnc1SCC#Cc1ccc(F)cc1 433378803 VZQOXTIQIDBZCX-UHFFFAOYSA-N 274.364 3.747 30 20 CHED C=CCC[C@@H](NC(=O)Nc1ncc(C)o1)c1ccccc1 435617712 NZXPENWYKJSAKJ-CQSZACIVSA-N 285.347 3.812 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CC(C)(C)Cc2occc21 436311013 WLDDFDFWFDAJGA-QRTARXTBSA-N 289.419 3.864 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1O 436727963 GBVGFBNZWYHGQP-CQSZACIVSA-N 281.355 3.726 30 20 CHED N#Cc1ccc(/C=C/c2nc3cc(C(=O)O)ccc3o2)cc1 439269740 DDMIWTHJVAINPI-VMPITWQZSA-N 290.278 3.568 30 20 CHED C=CC[C@H]1N(C(=O)Nc2cncc(F)c2)CCCC1(C)C 439617591 METYSMGTIPEPNO-CQSZACIVSA-N 291.370 3.819 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(Br)s1 440867286 CPJQSYLTOHITPH-QMMMGPOBSA-N 288.210 3.654 30 20 CHED C=CCCCSc1ccc(C(C)=O)cc1OC 441951655 PXSDSOZUPMMAES-UHFFFAOYSA-N 250.363 3.956 30 20 CHED CC[C@@H](F)CSCc1ccc(C#N)cc1OC 442545283 QNNDAYUZOFOEEF-GFCCVEGCSA-N 253.342 3.548 30 20 CHED Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1C(=O)N(C)C(C)C 442880971 YNBKBIHUJOAOQT-CABCVRRESA-N 299.418 3.580 30 20 CHED Cc1cc(CNc2ccccc2N(C)C)ccc1C#N 444000504 FCXBSMUIGHWSRD-UHFFFAOYSA-N 265.360 3.545 30 20 CHED C=CC[C@H]1N(Cc2occc2C(=O)OC)CCCC1(C)C 444780847 GFMULIQLLFQHSQ-OAHLLOKOSA-N 291.391 3.633 30 20 CHED C=C(C)CCNC(=O)[C@H](C)c1cccc(Br)c1 452718602 QJAHPJSDZHOMBL-LLVKDONJSA-N 296.208 3.635 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc(Cl)s1 452775774 IUJFAQJMFZCMGJ-UHFFFAOYSA-N 271.813 3.663 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C)C(C)(F)F 452883526 YLOAAJNIIMOIIO-JTQLQIEISA-N 285.359 3.738 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@@H]1CCCC1(F)F 455405538 HBIYZXIMRWRVHT-ZDUSSCGKSA-N 288.382 3.810 30 20 CHED CC1(C)CC=C(C(=O)N[C@@H](C#N)C2CCCCC2)CC1 455920616 MKRHXRXNRYCIMC-HNNXBMFYSA-N 274.408 3.712 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@@](C)(C#N)CC 456855911 IWPKOQPAQKQLOC-IIAWOOMASA-N 264.413 3.649 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CCC)C1CCCC1 459317908 NLGDWKJLGSBFLE-CQSZACIVSA-N 252.402 3.563 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C 460799874 AOOSHFMIVMPTJL-GJZGRUSLSA-N 290.455 3.678 30 20 CHED CC(C)CCC[C@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 461770512 WJNLUGFXKZUUBI-LSDHHAIUSA-N 286.419 3.993 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]2CCC)c1 461929199 REULDBMRNXMGEI-IUODEOHRSA-N 259.349 3.626 30 20 CHED C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)[C@H](C)C#N 462607995 SQYWVYYIYVWSMG-CVEARBPZSA-N 292.382 3.936 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1Cl 464154178 UXUCILSVRBUGSK-HNNXBMFYSA-N 278.783 3.707 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 464757067 UAFFYLCIUFLRRF-FZMZJTMJSA-N 280.799 3.911 30 20 CHED C=CCCN(C)C(=O)Cc1ccc(CCCC)cc1 466652732 YUBVCPNCWZACHE-UHFFFAOYSA-N 259.393 3.606 30 20 CHED C=CCCN(C)C(=O)NC(CC(C)C)CC(C)C 467011129 SHXFSAVRHQGCNC-UHFFFAOYSA-N 254.418 3.665 30 20 CHED C=CCCCNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 468399126 GOLOUSGNKVWICK-KBPBESRZSA-N 297.320 3.891 30 20 CHED C=CCCCCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 471670624 UEUDGCNMDLVVTO-RYUDHWBXSA-N 277.330 3.828 30 20 CHED C=CC1CCN(C(=O)NC2CCC(CCC)CC2)CC1 476714283 RMYFKLPWUFMVDH-UHFFFAOYSA-N 278.440 3.953 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCCO[C@H]1CC(C)C 477194543 SAHYCOKQFHGCNZ-JYJNAYRXSA-N 296.455 3.624 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)[C@H](C)C1CCCCC1 480373967 YWOOHOSCALPVIF-GJZGRUSLSA-N 281.440 3.690 30 20 CHED C[C@H](C#N)CN(C)C(=O)CCc1cc(Cl)cc(Cl)c1 480640958 WLJUTONIUZDTMK-SNVBAGLBSA-N 299.201 3.544 30 20 CHED C=C[C@H](C)NC(=O)CCc1cc(Cl)cc(Cl)c1 481852761 FGYODGZQIOYJTR-VIFPVBQESA-N 272.175 3.617 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1[C@H]2CCC[C@H]12 483174140 JMGKCCGHWHCWPN-IRXDYDNUSA-N 296.414 3.589 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2Cc2ccccc2)cc1F 483937293 FPIGMLAOBNKKNG-QGZVFWFLSA-N 280.346 3.514 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCc4ccccc4C3)c2c1 487934956 XXBDAHSIMDGBFJ-UHFFFAOYSA-N 299.377 3.978 30 20 CHED C=CCn1cccc1C(=O)Nc1ccccc1OCCC 488589012 BKZLZAMBOFXNCN-UHFFFAOYSA-N 284.359 3.715 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)Oc1ccccc1Cl 488837713 LJHALIQMTIGORS-QWHCGFSZSA-N 293.794 3.674 30 20 CHED C=CCC[C@H](C(=O)N1C[C@H]2[C@H](C1)C2(C)C)c1ccccc1 488985048 QUNCQYVDUNCJJJ-ULQDDVLXSA-N 283.415 3.851 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](CCC#N)c1ccccc1 495261207 VORGPZBTCDPVES-IRXDYDNUSA-N 297.402 3.782 30 20 CHED C[C@@H](CCC(=O)N(C)CC(C)(C)C#N)c1ccccc1 497323215 WJQAQECBBXPMPT-AWEZNQCLSA-N 272.392 3.578 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C(=O)OC)c(C)cc1C 505745828 OMHQFRQAMJZJMZ-UHFFFAOYSA-N 289.375 3.631 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](C)C(C)(F)F)CCCC1(C)C 508073012 IFSHSPXOJQJINF-VXGBXAGGSA-N 273.367 3.871 30 20 CHED CCC[C@H](CC)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 510676147 SNRAOXRPLDVGGW-ZDUSSCGKSA-N 290.411 3.815 30 20 CHED Cc1nnc(NCC[C@@H]2CCCC[C@@H]2C)c(C#N)c1C 511737270 DAPDAXSSXSUMNV-FZMZJTMJSA-N 272.396 3.593 30 20 CHED COc1cc(-c2ccccc2)ccc1CN(C)C[C@H](C)C#N 512749540 MQBCUSQHMSGFTG-OAHLLOKOSA-N 294.398 3.954 30 20 CHED C=C1CCN(Cc2ccc(OC)c(Br)c2)CC1 513466033 BCUMNPUGBJNKCC-UHFFFAOYSA-N 296.208 3.610 30 20 CHED CCC[C@@H](C#N)NC(=O)c1cccc(Cc2ccccc2)c1 515001197 NXHKNIYUZXKSKB-SFHVURJKSA-N 292.382 3.699 30 20 CHED C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 516391415 IWAHGKUHIDKCGU-GRDNDAEWSA-N 284.403 3.952 30 20 CHED N#CCc1ccc(CN[C@H]2CCCC[C@H]2C(F)(F)F)cc1 516925645 WFIBIXPMOGTGPO-CABCVRRESA-N 296.336 3.963 30 20 CHED C=CCCCN1CCC(Oc2ccc(C)cc2)CC1 522775656 RJJUQSQWEMMPCN-UHFFFAOYSA-N 259.393 3.804 30 20 CHED C=CCCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 523946277 BUKMTDDMWBBUHX-GFCCVEGCSA-N 257.333 3.918 30 20 CHED COCc1ccc(NC(=O)CC2CCCCC2)cc1C#N 529816260 HNMNRBUGEPZPMG-UHFFFAOYSA-N 286.375 3.614 30 20 CHED C=C1CCN(Cc2coc(-c3ccc(OCC)cc3)n2)CC1 532607597 LWIVWPUSZBONCE-UHFFFAOYSA-N 298.386 3.892 30 20 CHED N#Cc1ccc(CNCCOC2CCCCCC2)c(F)c1 532987263 IOPIENWIXSLLED-UHFFFAOYSA-N 290.382 3.526 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)cc1OC 540532254 NUWWYFKMGOGIKQ-LLVKDONJSA-N 281.783 3.823 30 20 CHED C=CC[C@H](C)[C@H](C)NCCSCc1ccccc1C#N 541209049 CIQXAWFDAGWSND-GJZGRUSLSA-N 288.460 3.982 30 20 CHED C[C@@H]1CCN(Cc2ccc(F)cc2C#N)CC1(C)C 544782152 PKKJRYLRRFIASM-GFCCVEGCSA-N 260.356 3.565 30 20 CHED C=CC[C@@H](C)NC1CCC(N(C)Cc2ccccc2)CC1 552275451 WGQXBEAJJFLGKX-IPJUCJBFSA-N 286.463 3.984 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(C(C)(C)C)CC1 553104351 VXIZBARVQFVZJB-OAHLLOKOSA-N 266.473 3.974 30 20 CHED C=CCN(CCOC)[C@@H](C)c1ccc(Cl)cc1 553997565 UWHNARINLZRWAM-LBPRGKRZSA-N 253.773 3.535 30 20 CHED C=CCN(CC=C)Cc1ccc(C)cc1-c1cnn(C)c1 555325716 KBFGNNQFKSHGMV-UHFFFAOYSA-N 281.403 3.570 30 20 CHED C[C@@H]1CCC[C@H](NC2(c3cccc(C#N)c3)CC2)[C@@H]1C 556610113 QMIKXRLZNDRNBZ-CPUCHLNUSA-N 268.404 3.962 30 20 CHED C=CCCCCN1CCSC[C@@H]1c1nccs1 560221940 PTNCIGJRYLSVRA-GFCCVEGCSA-N 268.451 3.589 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(C#N)c(F)c1 562094723 IWGVRKCWSBBGNI-UHFFFAOYSA-N 289.354 3.907 30 20 CHED CC(C)(C)CN(CCC#N)c1ccc(C(F)(F)F)cn1 566485749 TVULEHIKEZUWHM-UHFFFAOYSA-N 285.313 3.867 30 20 CHED CCC(CC)N(CC)C(=O)CSc1ccc(C#N)cc1 566999107 OMNUVWKLZCLBGH-UHFFFAOYSA-N 290.432 3.687 30 20 CHED CN(CCCc1ccccc1)c1nccc(C#N)c1Cl 567131928 AOZWICDZNMIDSI-UHFFFAOYSA-N 285.778 3.676 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N[C@]1(C#N)CC1(C)C 567614806 FIUHNINIZQQDHN-BBRMVZONSA-N 262.397 3.567 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(C3CCCC3)cc2)nc1 571135049 VIAVJODIKAWACI-UHFFFAOYSA-N 291.354 3.863 30 20 CHED CC1(C)CCC[C@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 572184475 HXWBAIANITXBPN-YOEHRIQHSA-N 276.424 3.791 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)[C@]2(C#N)C[C@@H]2C)c2ccccc21 574031585 YVIIDAYEIRYQSX-UOQGXUADSA-N 282.387 3.537 30 20 CHED C=C1CCN(CCc2ccc(F)cc2Cl)CC1 576392393 JLDYXFRXYQVGKD-UHFFFAOYSA-N 253.748 3.674 30 20 CHED N#Cc1cc(Cl)ccc1CSc1nc2c([nH]1)CCC2 578831841 GCNCGGSMCCMYFF-UHFFFAOYSA-N 289.791 3.716 30 20 CHED N#Cc1ccc(COc2cc(Cl)cc(Cl)c2)nc1 579071038 LQPWYFLQTPAGHO-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C=CCCCCNc1ccc(F)c(NC(C)=O)c1 580279129 FIHPMOCTZFJCHG-UHFFFAOYSA-N 250.317 3.552 30 20 CHED Cc1cscc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 584456347 VMYGDGJTKDZEHV-UONOGXRCSA-N 282.368 3.670 30 20 CHED Cc1cccc([C@H]2CCN(c3cc(C#N)cc(C)n3)C2)c1 588016326 DSYZPNXQEXYPLB-KRWDZBQOSA-N 277.371 3.564 30 20 CHED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(C#N)c1 589340422 DSPZOLXBAFDMAP-BFUOFWGJSA-N 287.366 3.768 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)NCC#Cc1ccccc1 590614865 AMBIFJHLYPZJQK-MSOLQXFVSA-N 298.430 3.696 30 20 CHED Cc1ccccc1C1(NCc2cc(C#N)ccc2F)CC1 592139899 OUOFDMXSFSDJQE-UHFFFAOYSA-N 280.346 3.785 30 20 CHED CC(C)[C@@H](O)Cc1ccccc1-c1cccc(C#N)c1 592989339 RTAZAEIDEXJUOR-SFHVURJKSA-N 265.356 3.785 30 20 CHED CC[C@H](C#N)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 593489673 WOHMKLCNUBXLTR-DJIMGWMZSA-N 284.403 3.639 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1NC1CCC1 593814231 QCIRHSIRBHGDIW-UHFFFAOYSA-N 271.364 3.529 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CC1CCCCC1 594221371 BJXWOMNWHPXABG-OAHLLOKOSA-N 298.430 3.776 30 20 CHED C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1ncccc1F 596263002 AYPPALMPNLLUON-LLVKDONJSA-N 298.365 3.958 30 20 CHED COc1ccc(-c2cc(F)ccc2CO)cc1C1(C#N)CC1 596634962 SVSBDPFLUUAPNZ-UHFFFAOYSA-N 297.329 3.549 30 20 CHED C[C@@H](CN1CCC[C@H](CC#N)C1)c1ccc(F)cc1 597178057 UZFSFUVFIYSXBF-UONOGXRCSA-N 260.356 3.555 30 20 CHED CC1(C)C[C@@]1(C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597899477 ACEKIUZEUPETRR-KXBFYZLASA-N 296.414 3.507 30 20 CHED CC[C@@H](CC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597914359 UXNKSZDZAWNJIT-HOTGVXAUSA-N 284.403 3.723 30 20 CHED CC(C)(C#N)C[C@H](O)CSc1ccc(Cl)cc1 598704178 MGFKTOULCFQZKO-NSHDSACASA-N 269.797 3.733 30 20 CHED C[C@H]1CC[C@H](C(=O)N(c2ccc(C#N)cc2)C2CCC2)C1 598881343 FBRIJPNMQURFCL-ZFWWWQNUSA-N 282.387 3.880 30 20 CHED CCn1c(S[C@H](C#N)C2CC2)nnc1-c1ccc(C)cc1 601080037 GSSJNMCLLSSHMW-CQSZACIVSA-N 298.415 3.668 30 20 CHED C[C@H](CCC#N)CN(C)Cc1ccccc1Br 602435981 XBFKUHSQTAVMCP-GFCCVEGCSA-N 295.224 3.821 30 20 CHED CC[C@H](CSc1ccccc1)NCc1cccc(C#N)n1 602569579 BBIMDEWVIDCMAL-CQSZACIVSA-N 297.427 3.614 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1cccc(N2CCCC2)c1 602573700 LCWCMTPWSTVUJD-JKSUJKDBSA-N 285.435 3.877 30 20 CHED COCc1cc(C#N)ccc1NC[C@@H]1CCC(F)(F)C1 603372889 WISZGQDJSSJKEM-GFCCVEGCSA-N 280.318 3.552 30 20 CHED CC(C)c1ccc(CCNc2ncccc2C#N)cc1 603472570 NTFGVILVMOIOBJ-UHFFFAOYSA-N 265.360 3.731 30 20 CHED C=CCCCN1CCc2c(Br)cccc2C1 605150161 CFUUDKQXXNHSOV-UHFFFAOYSA-N 280.209 3.773 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](C)c2ccco2)c1 607478795 DQDNNUPHNAWLKX-LBPRGKRZSA-N 271.316 3.587 30 20 CHED N#Cc1cc(CN2CCC[C@H]2c2ccc(O)cc2)ccc1F 610719324 JRFCHCLNWNTVMR-SFHVURJKSA-N 296.345 3.740 30 20 CHED COc1ccc(COCCSCCCCC#N)cc1 610797964 MBCXNNVKIIEUCA-UHFFFAOYSA-N 279.405 3.639 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(C3CC3)cc2)c1 611307456 GWGOCLDMCYRISR-UHFFFAOYSA-N 268.341 3.749 30 20 CHED CCOc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1O 611438933 TXJWGNRIXKWOFH-CYBMUJFWSA-N 296.370 3.513 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2csc(C(C)(C)C)n2)C1 617784438 SCWNYOOAGOOVKT-LBPRGKRZSA-N 292.448 3.869 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2csc(C(C)C)n2)C1 617784490 SZNLSLIIQSCRMP-LBPRGKRZSA-N 278.421 3.695 30 20 CHED COc1ccsc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 618802486 DXYOVNHUBDCRDB-NHYWBVRUSA-N 298.411 3.966 30 20 CHED C=CCOc1ccc(C(=O)N2CCC(C3CC3)CC2)cc1 646763105 JENYAQOJSRTCOJ-UHFFFAOYSA-N 285.387 3.514 30 20 CHED C=CCC1(C(=O)Nc2cc(CO)c(C)cc2C)CCCC1 649828400 ZFGJJVHFLRFLCM-UHFFFAOYSA-N 287.403 3.871 30 20 CHED C=CCC1(C(=O)Nc2nccc(SC)n2)CCCCC1 650552937 SZNILTDWHXQUAH-UHFFFAOYSA-N 291.420 3.664 30 20 CHED C=CCC1(NCc2cccc(Cl)c2F)CCOCC1 657633788 XAXLJILRWNCHNH-UHFFFAOYSA-N 283.774 3.694 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(Br)cn2)C1 661380237 LMPUJEUWCJYVBD-GFCCVEGCSA-N 295.224 3.632 30 20 CHED C=C(C)CCc1noc(Cc2cccc(OC)c2Cl)n1 664878598 WZLBHODQCVTCBX-UHFFFAOYSA-N 292.766 3.831 30 20 CHED C=CCN(CCCOC(C)(C)C)Cc1cccs1 674903599 ZVQYNDYJSGXGPP-UHFFFAOYSA-N 267.438 3.941 30 20 CHED CC#CCCNC(=O)N(CC)[C@H](CC)c1ccccc1 681544398 YHNCBSYMDFZXDR-MRXNPFEDSA-N 272.392 3.583 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-n2cccn2)cc1C 682801322 ANIIEJLIRZMVHH-KRWDZBQOSA-N 283.375 3.722 30 20 CHED C=C(Br)CN1CC[C@@H](C2CCCCC2)C1 708837694 PRBPASNSHRPCHQ-CYBMUJFWSA-N 272.230 3.797 30 20 CHED N#Cc1cccnc1N1CCC(C2CCCCC2)CC1 708860296 FZFFWGKCRRNCEI-UHFFFAOYSA-N 269.392 3.750 30 20 CHED C=CCC1(NCc2cnc(Cl)s2)CCCC1 718849309 KKLHUEUROKJKQH-UHFFFAOYSA-N 256.802 3.775 30 20 CHED CCC(=NNc1cnc2ccccc2n1)c1ccc(O)cc1 727258524 OHRVEFBBIWVLHN-UHFFFAOYSA-N 292.342 3.562 30 20 CHED CCCCCCCC(=O)NCCSC(C)(C)C 727400711 FILFDTKFGDYWLF-UHFFFAOYSA-N 259.459 3.995 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(O)c(C)c1 728226298 MNUQSDXDWOFQDJ-ZDUSSCGKSA-N 268.360 3.775 30 20 CHED COc1ccccc1/C=C1\Cc2c(C)cccc2C1=O 729150007 HRADCYXAEOJGRZ-GXDHUFHOSA-N 264.324 3.826 30 20 CHED Cc1cc(F)ccc1/C=C\C(=O)c1csc(C(=O)O)c1 730148865 NVQHJQZUMQKVPA-HYXAFXHYSA-N 290.315 3.790 30 20 CHED C#CCOc1cccc(COC(=O)/C=C/c2ccsc2)c1 730404775 NMLPEKSJSPSBFF-VOTSOKGWSA-N 298.363 3.517 30 20 CHED C[C@H]1CC[C@H](/N=C\c2cc3ccccc3nc2O)CC1 730952501 XUXFQXISQFJMFR-AYVZETSISA-N 268.360 3.938 30 20 CHED COc1cc(C)c(C(=O)/C=C\c2ccccc2)cc1OC 731318547 JVBZEIUPEMWNEL-KTKRTIGZSA-N 282.339 3.908 30 20 CHED CCc1cccc2c1NC(=O)C2=NNc1cccc(Cl)c1 733078245 WJOIZCYXEVVDOR-UHFFFAOYSA-N 299.761 3.671 30 20 CHED C=C(CNCc1ccc(N(C)C)c(F)c1)c1ccccc1 733325927 ZBIFKVSANLEYJV-UHFFFAOYSA-N 284.378 3.695 30 20 CHED C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@@H](C)CC#N)cc3c2C1 733708329 SWHHIASWPIJIDG-RYUDHWBXSA-N 296.370 3.752 30 20 CHED C[C@H](C#N)C(=O)N[C@H](c1ccccc1)C1CCCCC1 733889304 CHZJSRXEZHEQMG-CZUORRHYSA-N 270.376 3.584 30 20 CHED C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)C(C)(C)C 734641924 JKSKKVOTQSHDRC-LBPRGKRZSA-N 273.380 3.556 30 20 CHED C=CCCCOC(=O)c1cc(SC)ccc1C 735528671 UHGLCDIESFYVFJ-UHFFFAOYSA-N 250.363 3.840 30 20 CHED Cc1nc(C)c(C=NNc2cc(F)c(F)cc2F)s1 736430953 PDJPGNYGBIYLIR-UHFFFAOYSA-N 285.294 3.623 30 20 CHED Cc1cccc(C)c1CON=Cc1ccccc1F 738288214 FSZOQDANFYMCGN-UHFFFAOYSA-N 257.308 3.993 30 20 CHED Cc1ccc(N2CCC[C@H](/N=C/c3ccccc3O)C2)cc1 741842742 IIBKGICXAUIQQD-NNIWKIFQSA-N 294.398 3.789 30 20 CHED COc1ccc(CN[C@@H](c2cccs2)C2CC2)cc1C#N 742366839 WIOLYPGAIQWDCE-QGZVFWFLSA-N 298.411 3.869 30 20 CHED C=CCOc1ccc(OC(=O)c2ccsc2)cc1 742860772 HCJFEDPADMWFBE-UHFFFAOYSA-N 260.314 3.532 30 20 CHED C/C(=C\C(=O)OCc1cccc(C#N)c1)c1ccc(F)cc1 743070088 DKMDUPJRFDCYJE-UKTHLTGXSA-N 295.313 3.844 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C[C@H]1CC1(Cl)Cl 745261467 WJCNKKJCADRANM-CQSZACIVSA-N 295.213 3.740 30 20 CHED Cc1ccc(C=NNc2oc(CC(C)C)nc2C#N)c(C)c1 745614031 XBNXNPLZSOCTPK-UHFFFAOYSA-N 296.374 3.808 30 20 CHED CCO[C@H](CC/N=C/c1cc(Cl)ccc1O)C(C)C 746394813 RYNYSUPKQVIELO-ZXMBATIKSA-N 283.799 3.916 30 20 CHED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccccc1 746497735 KLSARTXUNGFZKZ-UHFFFAOYSA-N 282.347 3.680 30 20 CHED C=CCCC(=NNc1cc(Cl)nc(C)n1)C1CC1 747763355 CYYKZUFCLMVHCK-UHFFFAOYSA-N 264.760 3.583 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCc3ccc(F)cc32)cc1 747881359 QXYNQUOXLLCJLC-INIZCTEOSA-N 281.286 3.542 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1CC12CCOCC2 748844413 RYEIMQOJBDBWEG-HOTGVXAUSA-N 295.467 3.916 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C(=O)C(C)(C)C)cc1 749832731 STNCQODDFONZQY-UHFFFAOYSA-N 290.432 3.778 30 20 CHED CC[C@H](Nc1ccc(C#N)nc1)c1ccccc1OC 750015399 YMUOUQDVIXFARO-HNNXBMFYSA-N 267.332 3.525 30 20 CHED Oc1ccc2c(c1)CCCC2=NOCc1ccccc1 750932923 UACHVDZWYJCVNN-UHFFFAOYSA-N 267.328 3.649 30 20 CHED N#CCOC(=O)CCCCc1ccc(Cl)c(Cl)c1 753433056 RKUGCENMQRUTPH-UHFFFAOYSA-N 286.158 3.773 30 20 CHED CCc1ccc(/C=C\C(=O)c2cc(O)cc(O)c2)s1 753715953 HIJKCYXQMXPVLD-WAYWQWQTSA-N 274.341 3.618 30 20 CHED COC(=O)c1occc1/C=C1\CCc2ccc(C)cc2C1=O 753900283 MMOUVDHLZHKNFK-JLHYYAGUSA-N 296.322 3.587 30 20 CHED COc1ccc(NCC#Cc2ccc(Cl)cc2)cc1F 754298191 KDXDHADCUQJGTD-UHFFFAOYSA-N 289.737 3.951 30 20 CHED CCCCCCCCNC(=O)Nc1nc(C)c(C)o1 754777950 BINAPPYHTLMHIW-UHFFFAOYSA-N 267.373 3.773 30 20 CHED Cn1cc(C(=O)/C=C\c2ccccc2C#N)c2ccccc21 755589853 DPAMGMXDSAXPGQ-KHPPLWFESA-N 286.334 3.946 30 20 CHED COc1ccc(NN=C[C@H]2C[C@H]2c2ccccc2)cc1 755800689 DYGZCEIVJBABIV-PBHICJAKSA-N 266.344 3.897 30 20 CHED COc1ccccc1/C=C/C(=O)c1cc(F)cc(F)c1O 757474996 FEHSEMSMWDZIAO-VOTSOKGWSA-N 290.265 3.575 30 20 CHED C#CC[C@H](NC(=O)Nc1nc(CC)cs1)c1ccccc1 757915117 RQODWOKOQSNWAA-AWEZNQCLSA-N 299.399 3.592 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C/c1ccccc1 759610497 LYAGDFVVDAYLOF-DHZHZOJOSA-N 269.319 3.788 30 20 CHED CCC1(CC)C(=NNc2cnc3ccccc3n2)C[C@H]1OC 762605098 UFCPYOOFMRJGJW-OAHLLOKOSA-N 298.390 3.623 30 20 CHED Cc1ccc(F)c([C@H](C)OC(=O)c2ccc(C#N)cc2)c1 764333840 WLKBYKQJEQBNEA-LBPRGKRZSA-N 283.302 3.924 30 20 CHED COC(=O)c1coc(C(=O)/C=C/c2c(C)cc(C)cc2C)c1 766500795 CKVUEZZYNPFYDM-AATRIKPKSA-N 298.338 3.888 30 20 CHED C[C@H](/N=C/c1ccccc1O)c1cccc(F)c1F 766672641 QVHPHJPLTQZJNP-NTOSSWPYSA-N 261.271 3.851 30 20 CHED C#C[C@@H](C)N(C)C(=O)C(CC)(CC)c1ccc(Cl)cc1 767232897 QXJQNVNGLGDSQM-CYBMUJFWSA-N 291.822 3.878 30 20 CHED C#C[C@H](C)N(C)C(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 767236389 CJQIRTIEBGOIGV-TXJVSEOTSA-N 295.426 3.516 30 20 CHED COC(=O)c1ccc(C(=O)/C=C\c2cccc(C)c2)cc1 767728762 HBVNRPJUXUTIOA-WDZFZDKYSA-N 280.323 3.678 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cccc2ccsc12 767968304 MPPVJETUWIYVNA-GFCCVEGCSA-N 259.330 3.606 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2cccc([N+](=O)[O-])c2)C1 768357472 LBAZOFIDJVBLBR-NEPJUHHUSA-N 261.325 3.819 30 20 CHED COc1cccc(O)c1/C=N/CCCc1cccs1 769549762 VNJPGOXBBLRHKQ-LFIBNONCSA-N 275.373 3.514 30 20 CHED Cc1cc(C)cc(NN=Cc2cn(C)nc2C(C)(C)C)c1 769567873 DBJNGFVHOWEHPG-UHFFFAOYSA-N 284.407 3.780 30 20 CHED C=CCCCCNC(=O)Nc1cnc(Cl)cc1C 771179356 RBMOIILVFINUMH-UHFFFAOYSA-N 267.760 3.521 30 20 CHED CCOc1cccc(/C=C/C(=O)c2sccc2O)c1 771744406 KXEXVQKTHQRFQA-VOTSOKGWSA-N 274.341 3.749 30 20 CHED CCCCCCCCCC(=O)Nc1ncc(C)cn1 772305208 WGVURLIFHSPDLB-UHFFFAOYSA-N 263.385 3.864 30 20 CHED C#CCCCCCC(=O)NCC(C(C)C)C(C)C 772622204 RXUOAJQJZVVPRC-UHFFFAOYSA-N 251.414 3.615 30 20 CHED C#Cc1cccc(N(C(=S)NC(C)(C)CC)C(C)C)c1 774175845 HQSUKKXAPWXXEZ-UHFFFAOYSA-N 288.460 3.946 30 20 CHED C#C[C@H](C)NC(=O)c1cccc(-c2ccccc2OCC)c1 775382701 XDZONJYJKCJUAV-AWEZNQCLSA-N 293.366 3.504 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Cc1ccc(F)cc1 775926355 VFBSRYCIELQXOM-KBPBESRZSA-N 277.383 3.865 30 20 CHED Cc1cc(Cl)cc(C)c1/C=C\C(=O)c1cn(C)nc1C 776190671 XTGCLSRFCGLJSS-WAYWQWQTSA-N 288.778 3.895 30 20 CHED CC(=O)c1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)s1 776363433 HRALPKVTLFOBMQ-LBPRGKRZSA-N 291.372 3.580 30 20 CHED CC(=NOC1CCCCC1)c1ccc2c(c1)CCC(=O)N2 777457400 SSGSEPLSLHMBAD-UHFFFAOYSA-N 286.375 3.645 30 20 CHED Oc1ccc2c(c1)CCCC2=NNc1cc(Cl)ccn1 777905563 MIBGIMCCDXALGP-UHFFFAOYSA-N 287.750 3.593 30 20 CHED C#CCCCCCC(=O)N(CC)CC(CC)CC 779844772 QVCSGOWAOIEPPQ-UHFFFAOYSA-N 251.414 3.855 30 20 CHED CC(Cc1ccccc1F)=NOCc1ccccc1 780210367 SITMDHQTYQUVME-UHFFFAOYSA-N 257.308 3.961 30 20 CHED CC1(C)C[C@H](NN=C2CC(c3cccc(F)c3)C2)CCO1 780240546 DMXDLCNGQMIVFR-AWKYBWMHSA-N 290.382 3.606 30 20 CHED Clc1cncnc1NN=Cc1cccc2ccccc12 780279634 HCQJPMYXPWGFSJ-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CCSCCC=NNc1ccc2ccccc2n1 781114928 XKGGLJRINNSCDJ-UHFFFAOYSA-N 259.378 3.776 30 20 CHED CC(C)(C)C(=O)/C=C1/SCC(=O)N1CC1CCCCC1 781609482 CWQPUIYSLHNHLM-OQLLNIDSSA-N 295.448 3.599 30 20 CHED Cc1cccc2ncc(/C=C\C(=O)c3ccnc(Cl)c3)n12 782194382 NTYJOILJYQSYFZ-WAYWQWQTSA-N 297.745 3.587 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1c[nH]c2ccccc12 782299895 JPEFQKABXWNZKK-HNNXBMFYSA-N 255.365 3.670 30 20 CHED C[C@@H](NCc1ccc(C#N)cn1)c1ccc(Cl)c(F)c1 783292993 FJZIEOPOUQHTIN-SNVBAGLBSA-N 289.741 3.597 30 20 CHED N#Cc1ccc(NN=Cc2c(F)cccc2F)cc1Cl 783881100 QOENXPQEKXKGAQ-UHFFFAOYSA-N 291.688 3.936 30 20 CHED N#CC1(COC(=O)c2cccnc2C2CC2)CCCCC1 784928804 HRCJVZHXCTXGIL-UHFFFAOYSA-N 284.359 3.590 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(CC)(CC)SC 785599577 UZVSWWOKCFDAEH-ZDUSSCGKSA-N 257.443 3.627 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(Cl)nc(Cl)c1 785997768 SBNPCUJMCOSZPZ-NSHDSACASA-N 271.191 3.929 30 20 CHED C=C(C)COC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786327878 YZMCLXOKGPTRPE-GFCCVEGCSA-N 257.333 3.781 30 20 CHED C=CCC[C@H](CC)Nc1cccc(CCC(=O)OC)c1 786577882 RTDSWWMCHSQZQV-HNNXBMFYSA-N 275.392 3.949 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H](C(C)C)[C@H](O)c1ccccc1 788625863 JALIOMUGYAXMKT-CWLKWCNXSA-N 275.436 3.935 30 20 CHED Oc1ccccc1/C=N\CC(F)(F)c1ccccc1 788674945 QQEZJLJOIGRZCT-ZDLGFXPLSA-N 261.271 3.603 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@H](C)c1cc(C)sc1C 791013520 QYZXEJGRXSSOEX-YPMHNXCESA-N 278.421 3.527 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@@H](C)c1ccc2ccccc2c1 791197042 BTFOPDDJZLNOQQ-KSSFIOAISA-N 279.383 3.861 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cccc(-c2csc(C)n2)c1 791204759 HGZHLJIJWYKCNB-HNNXBMFYSA-N 298.411 3.650 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1ccc(C(C)(C)O)cc1 793114380 LRLVVVHAJRGQJN-CYBMUJFWSA-N 276.424 3.662 30 20 CHED N#Cc1ccc(COC(=O)/C=C\c2cccs2)c(F)c1 794653412 VDIUTWMTVAUZIK-WAYWQWQTSA-N 287.315 3.515 30 20 CHED Cc1ccc(/C=C2/CCc3nn(C)cc3C2=O)cc1Cl 794959768 CXYMKQSQTPRCSD-GHXNOFRVSA-N 286.762 3.594 30 20 CHED CC(=NNc1cncnc1)c1cc(Cl)sc1Cl 794976582 MSRRVPMQKARHJJ-UHFFFAOYSA-N 287.175 3.681 30 20 CHED CCO[C@@H]1CC(=NNc2ncccc2F)C12CCCCC2 794984727 NBBZVMYFDVGZLR-CQSZACIVSA-N 291.370 3.748 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@@H](C(C)(C)C)C2)c1 797610661 FHBGJWZBTLGKMH-OAHLLOKOSA-N 284.403 3.958 30 20 CHED COc1cccc(O)c1/C=N\[C@H]1C[C@H](c2cccc(F)c2)C1 797784623 BSOBYNFHBVWHFB-QXXLARBCSA-N 299.345 3.905 30 20 CHED CC[C@@H](C)NN=C1CCC(N(C)Cc2ccccc2)CC1 797788649 QOQKATOXCVEJKM-NNJIEVJOSA-N 287.451 3.805 30 20 CHED C#C[C@H](CCC)NC(=O)N[C@H](C)c1ccc(SC)cc1 798546379 VVZCEJYTNNRTBJ-TZMCWYRMSA-N 290.432 3.571 30 20 CHED C=CC[C@H](CC)NCc1cc(Cl)cc(F)c1O 798958757 JZKJPBUZZPSEHB-NSHDSACASA-N 257.736 3.629 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C)Cc3ccccc32)cc1C#N 799333625 VSHBOPSHDFUYCT-CYBMUJFWSA-N 290.366 3.706 30 20 CHED Cc1ccc(C(=O)OCc2ncc(C(C)(C)C)o2)cc1C#N 799363161 UTVBTCYGOPKARB-UHFFFAOYSA-N 298.342 3.509 30 20 CHED COc1cccc(C=NNc2ccc(F)cc2C)c1F 799884367 CRPVFJFJEYDUOJ-UHFFFAOYSA-N 276.286 3.728 30 20 CHED COCc1cccc(/C=C/C(=O)c2cc(C)c(C)o2)c1 799897085 MRNNQSSGCNHGGZ-BQYQJAHWSA-N 270.328 3.939 30 20 CHED COc1cc(F)cc(NN=C[C@H]2CC[C@H](C)C2)c1 800813988 OAQWGNUIOXSYSY-QWRGUYRKSA-N 250.317 3.668 30 20 CHED C=C1CCN(C(=O)Nc2cccc(OCC(C)C)c2)CC1 800903669 DRRBZFWUEUWOTA-UHFFFAOYSA-N 288.391 3.905 30 20 CHED Cc1cc2n[nH]cc2cc1Nc1nc(Cl)c(C#N)s1 804647921 GESSGAPOAJGVMV-UHFFFAOYSA-N 289.751 3.597 30 20 CHED C=CCCCCCCNC(=O)/C=C\c1cccc(O)c1 805217814 KRUZNNMXNGEIAI-QXMHVHEDSA-N 273.376 3.658 30 20 CHED Cc1nsc(Oc2ccc3c(C)cc(=O)oc3c2)c1C#N 807916229 OWXLJIKMWVNECY-UHFFFAOYSA-N 298.323 3.530 30 20 CHED CC(CCc1ccco1)=NNc1ccc([N+](=O)[O-])cc1C 807992081 ZPZVSMRLRYCGRJ-UHFFFAOYSA-N 287.319 3.917 30 20 CHED C=CCc1ccc(OC(=O)C(C)(C)C2CC2)c(OC)c1 807995146 UOWRABQXCQPTRO-UHFFFAOYSA-N 274.360 3.765 30 20 CHED C=C1CCN(Cc2c(Cl)nc3cc(Cl)ccn23)CC1 809568687 VLTDHQPLONCVNM-UHFFFAOYSA-N 296.201 3.793 30 20 CHED C#Cc1ccccc1CC(=O)N(CC(C)C)C1CCCC1 810549720 QBXYQQIDVPUIHC-UHFFFAOYSA-N 283.415 3.638 30 20 CHED COCCC(Cc1cccc(F)c1)=NOC/C=C\Cl 811669137 MPHYVUONICNXPA-VIVYQXBKSA-N 285.746 3.530 30 20 CHED CCC(=NOC/C=C\Cl)c1cc(C)ccc1OC 811669760 IXFCJOQDBIRCRE-FKYZSKFCSA-N 267.756 3.887 30 20 CHED Oc1cc(C=NOC/C=C/Cl)cc(C(F)(F)F)c1 811670047 XMOOIEAOXYRLNY-XLLLHDSKSA-N 279.645 3.514 30 20 CHED Cl/C=C\CON=Cc1cnc(C2CCCC2)s1 811672017 OAOUUFAFZIMYQR-QKDPKPEMSA-N 270.785 3.904 30 20 CHED CCN(C)c1ccc(C(C)=NOC/C=C\Cl)cc1 811672299 VVNGQCFVXAPKGH-VFCBOUIBSA-N 266.772 3.636 30 20 CHED C=C(C)CNC(=S)Nc1cccc(C2CCC2)c1 812259927 PPFUYPDZPCLQHD-UHFFFAOYSA-N 260.406 3.817 30 20 CHED Fc1ccc(NN=Cc2ccco2)c(Br)c1 812462157 PHBBGQFZOOMPHK-UHFFFAOYSA-N 283.100 3.627 30 20 CHED C=CCCCCCCCNC(=O)N1CCC(F)(F)C1 812494121 GDTBEJYXYYXMBA-UHFFFAOYSA-N 274.355 3.564 30 20 CHED C=CCC[C@H](NC(=O)NOC[C@@H](C)CC)c1ccccc1 813690362 PEKIEQPBPZERJR-HOCLYGCPSA-N 290.407 3.971 30 20 CHED Cc1sc2ncnc(NN=C3CC[C@@H]3C3CC3)c2c1C 814726603 YMAHXODWRXWAHF-LLVKDONJSA-N 286.404 3.896 30 20 CHED CCOC1CC(=NNc2ccc(Cl)c(Cl)c2)C1 814796838 RXRJWYNLJVLYBD-UHFFFAOYSA-N 273.163 3.960 30 20 CHED CSC(C)(C)CC=NNc1ncnc2ccsc12 814879308 RXXMCJGCYRSETE-UHFFFAOYSA-N 280.422 3.621 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)[C@@H]1C[C@H](CC(=O)O)C1(C)C 814917831 STIKAEHOUJAAEI-RDBSUJKOSA-N 294.439 3.668 30 20 CHED Fc1ccc(NN=Cc2csc(C3CC3)n2)c(F)c1F 814946512 OVBPJOQPTDKBTR-UHFFFAOYSA-N 297.305 3.884 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)CC(C)(C)C1CC1 815905324 IDCGVMKWJXOGDY-UHFFFAOYSA-N 287.359 3.689 30 20 CHED C=CCC(F)(F)C(=O)OCc1ncc(C(C)C)s1 816013627 VLIWAVQIDPLRKN-UHFFFAOYSA-N 275.320 3.521 30 20 CHED C=CCC(F)(F)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 816068005 HCHQFICKRYLINU-SECBINFHSA-N 298.358 3.828 30 20 CHED C=CCCc1ccccc1NC(=O)C(F)(F)CC=C 816576448 VLZWWCGWHHFART-UHFFFAOYSA-N 265.303 3.955 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(CC)s1 817463296 VDSOOCNCNMGSTA-UHFFFAOYSA-N 251.395 3.643 30 20 CHED CCC(=NN[C@H](C)c1ccncc1)c1ccc(F)cc1 819815472 RIMFIOXEOPFQGC-GFCCVEGCSA-N 271.339 3.686 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(Cl)cc1C(=O)O 825659812 GUKGIMBGQHDOCO-UHFFFAOYSA-N 293.750 3.745 30 20 CHED C#CCC1(C(=O)N2CCC(CSC)CC2)CCCCC1 834350348 COAATAZXEFMVGZ-UHFFFAOYSA-N 293.476 3.562 30 20 CHED C[C@H]1CC[C@@H](C)CC1=NNc1nncc2ccccc12 834921751 VJJYDOPJIACUIA-NEPJUHHUSA-N 268.364 3.854 30 20 CHED C[C@H]1CC(=NNc2ccncn2)C[C@H](c2ccccc2)C1 835001253 FDAJFBYJRJFEGL-UKRRQHHQSA-N 280.375 3.848 30 20 CHED C#C[C@H](NC(=O)Nc1ccccc1C(C)(F)F)C(C)C 836727536 NQAWPOXWLPXJRI-LBPRGKRZSA-N 280.318 3.578 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 837586848 CPJDDKWGVBKMSS-HOCLYGCPSA-N 287.378 3.628 30 20 CHED CCC1(C(=O)OCCCCC(C)(C)C#N)CCC(O)CC1 837718957 BORCJNYAFPTXEI-UHFFFAOYSA-N 295.423 3.581 30 20 CHED N#C[C@@]1(C(=O)OCc2cccc(Cl)c2)CC12CCCC2 837901900 IGJNYSFTBXOYAQ-MRXNPFEDSA-N 289.762 3.857 30 20 CHED C#CCC[C@@H](C)OC(=O)c1ncsc1-c1ccccc1 839038034 HGCQXMPJNDOTLM-GFCCVEGCSA-N 285.368 3.769 30 20 CHED Cc1ccccc1CCC(=O)O[C@@H]1CCC[C@H](C#N)C1 839051571 NXGHINJFHDVNLH-GOEBONIOSA-N 271.360 3.553 30 20 CHED CCCCCCCC(=O)NCC(C)(C)c1cccnc1 839910642 UCSXOHRGIZMKMI-UHFFFAOYSA-N 276.424 3.836 30 20 CHED CC(CCCCC#N)=NNc1cncc(Br)c1 841631377 IPRXGRYTMUTSBV-UHFFFAOYSA-N 295.184 3.716 30 20 CHED CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)[C@@H]1CC1(C)C 841891766 UNVRJZQJHUIXHY-COXVUDFISA-N 286.419 3.892 30 20 CHED C[C@]1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCc2ccccc21 842818009 FYESXRQQNFBSHF-YEWWUXTCSA-N 283.371 3.516 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)/C=C/C2CCCC2)c1 843874419 JVPPHJLIYHWJHM-UXBLZVDNSA-N 295.386 3.817 30 20 CHED CCCCC[C@@H](NC(=O)[C@@H](C#N)CC)c1ccccc1 845423956 FSJDPNYPUPTTFI-GDBMZVCRSA-N 272.392 3.974 30 20 CHED C=C(C)CONC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 845607901 INGFFJCSKHJBHL-IAGOWNOFSA-N 298.386 3.524 30 20 CHED C/C(=C\c1ccco1)C(=O)Nc1sc2c(c1C#N)CCC2 846769105 WKXCZYQIYGUMLO-CSKARUKUSA-N 298.367 3.743 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCc1ccsc1 847652872 YMVISCRURLBYLS-LBPRGKRZSA-N 285.368 3.542 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C/c1ccc(Cl)nc1 851208096 OAAXKLQHZLYDMS-ZRQQLDRUSA-N 292.766 3.620 30 20 CHED N#CC[C@@H]1CCCN([C@H]2CCc3cc(Cl)ccc32)C1 852319016 FHFKHLISNCDGPN-LRDDRELGSA-N 274.795 3.953 30 20 CHED CSc1cc(C)c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)o1 853130444 ZADHEZHNMXVIAX-WDEREUQCSA-N 279.361 3.549 30 20 CHED CCc1cccc2cc(C=NNC[C@H]3CCSC3)oc12 853346599 GMDMTWIKLJEICI-GFCCVEGCSA-N 288.416 3.672 30 20 CHED N#CCCCOc1cccc(C=NOCC2CCC2)c1 853439723 LYIYZKOIQAARGP-UHFFFAOYSA-N 272.348 3.520 30 20 CHED C#C[C@@](C)(CC)NC(=O)CCCc1cc(C)sc1C 854698674 DLUGCVJRTLKFHH-INIZCTEOSA-N 277.433 3.606 30 20 CHED CCCc1ccc(C=Nn2c(S)nnc2C(C)C)s1 857205453 ADTDGNUFDBOUAO-UHFFFAOYSA-N 294.449 3.586 30 20 CHED CCCCCCCNC(=O)c1scnc1C(F)(F)F 862354935 AUUPRHOUJLBJRV-UHFFFAOYSA-N 294.342 3.862 30 20 CHED CCCCCCCNC(=O)c1cc[nH]c1C(C)C 862356293 VXDODFVLLHUWGZ-UHFFFAOYSA-N 250.386 3.838 30 20 CHED N#CC1CCN(c2cc(-c3cccc(Cl)c3)ncn2)CC1 872432153 NHOJGHBAKGWSIL-UHFFFAOYSA-N 298.777 3.537 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](c2cccc(C)c2)C1 879456351 FYUYMGTYWQSGME-INIZCTEOSA-N 271.404 3.913 30 20 CHED C[C@@H](C(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CCC1 887699113 MYZOYIHIENYREZ-CQSZACIVSA-N 296.414 3.700 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 887701938 QFQLGEJBDADOAL-LSDHHAIUSA-N 298.430 3.946 30 20 CHED CCCSC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 892521236 NNMZBLRINOJCBB-OLZOCXBDSA-N 262.422 3.741 30 20 CHED C=C1CC(c2noc(Cc3cc4ccccc4o3)n2)C1 896885089 UODGNIANQUDVDT-UHFFFAOYSA-N 266.300 3.840 30 20 CHED C=C1CC(c2noc(-c3cc(Cl)c(Cl)[nH]3)n2)C1 896885699 UKZBFAOGLZDXGO-UHFFFAOYSA-N 270.119 3.805 30 20 CHED Cc1c(Br)cncc1N[C@H]1CCC[C@@H](C#N)C1 897833779 YBSJYZSJIBHBFT-MNOVXSKESA-N 294.196 3.647 30 20 CHED O=C1/C(=C/c2cnn(C3CCC3)c2)Cc2cc(F)ccc21 899358344 VXSBKSNFNKAEHC-AWNIVKPZSA-N 282.318 3.570 30 20 CHED CCCOc1cccc(/C=C2\C(=O)c3nccn3[C@@H]2C)c1 901560995 PGSJEFXEARGMLG-QJMZJAKPSA-N 282.343 3.513 30 20 CHED CC(C)[C@@H](CCc1ccccc1)NCC1(C#N)CC1 903106025 LIXUQESUVRWXJU-MRXNPFEDSA-N 256.393 3.537 30 20 CHED Cc1ccc2c(c1)N(C(=O)c1ccsc1C#N)CCC2 903269382 XCFCZBDBGFCVLN-UHFFFAOYSA-N 282.368 3.521 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(Cc2cc(C)ccc2C)no1 903639272 BNUVBAOYYCLXCZ-RDJZCZTQSA-N 298.386 3.726 30 20 CHED CCCc1nc(C(=O)OCCCCC2(C#N)CCC2)co1 909255755 WIRHCIRTLKWYCY-UHFFFAOYSA-N 290.363 3.648 30 20 CHED Cc1ccc(SCCC(=O)OCCCCC#N)cc1 912957726 SQQLKRQNAQNWJX-UHFFFAOYSA-N 277.389 3.714 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1scnc1C 915110357 SSJLAIWOILLDHD-UHFFFAOYSA-N 282.372 3.836 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2c(C)n[nH]c2C)cc1C 915984049 GJAIXDLFXZYGMC-SREVYHEPSA-N 268.360 3.848 30 20 CHED COc1ccc(O)c(C(C)=NNc2cc(C)cc(C)c2)c1 916346791 UYPLXXRIVOOSAI-UHFFFAOYSA-N 284.359 3.854 30 20 CHED N#Cc1ccc(CN(C(=O)C=C2CCCC2)C2CC2)cc1 917641865 HVMLDKICJZFGRO-UHFFFAOYSA-N 280.371 3.550 30 20 CHED C=CCOc1ccccc1C(=O)OCC1CCCC1 918506736 SDLFYBBESMWBCO-UHFFFAOYSA-N 260.333 3.598 30 20 CHED C=C(Br)COC(=O)c1csc2ccccc12 919040640 CNDZRMBIQLCLEE-UHFFFAOYSA-N 297.173 3.967 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1nncc2ccccc12 921251949 WBKXYWXSCCRVRI-UHFFFAOYSA-N 288.354 3.701 30 20 CHED CCCCCCCCC(=O)OCc1noc2c1COCC2 922352682 JAIMEDCJJDFQAQ-UHFFFAOYSA-N 295.379 3.541 30 20 CHED C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@H](C)CC(C)(C)C#N 925294921 WACMWVWBIGPXDO-IOASZLSFSA-N 292.398 3.556 30 20 CHED Cc1ccccc1C1(N[C@H](C)CC(C)(C)C#N)CC1 926628135 QZVQGECWBDZOEQ-CQSZACIVSA-N 256.393 3.902 30 20 CHED C=C[C@H](CC)CC(=O)NCc1ccc(Cl)s1 930010201 SABOPRFTISDRPB-SECBINFHSA-N 257.786 3.620 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N1CCC[C@H](C#N)C1 931250945 SFVLFUWHHOIZTB-CQSZACIVSA-N 299.418 3.887 30 20 CHED C[C@H]1CCN(C(=O)Nc2sccc2C#N)CC12CCC2 931838669 VPDWNWYLLHOTRI-NSHDSACASA-N 289.404 3.664 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)[C@@H](OC)c1ccccc1F 935253265 XHQVKIREUWPOST-PBFPGSCMSA-N 293.382 3.620 30 20 CHED C=C(C)COC(=O)C(F)(F)c1ccc(Cl)cc1 1115882536 UALVJHWALFVDPS-UHFFFAOYSA-N 260.667 3.551 30 20 CHED Cc1ccc(-c2ncco2)cc1N[C@H]1CC[C@H](C#N)C1 1116925560 VWIUHAWWJAHYID-JSGCOSHPSA-N 267.332 3.754 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cnc2ccc(F)cc2c1 1120813793 MZELODUSVAOTJC-INIZCTEOSA-N 298.361 3.945 30 20 CHED CC1=C(C)C[C@@H](C(=O)O[C@@H](CC#N)c2ccco2)CC1 1123368069 DBQTXWLSPMWIQE-ZFWWWQNUSA-N 273.332 3.914 30 20 CHED CC(C)c1nc(C(=O)Nc2cc(F)cc(C#N)c2)cs1 1132219420 FPTVTMQMQLCSMT-UHFFFAOYSA-N 289.335 3.530 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H]2C(C)(C)C)c1C#N 1187904683 QSIZWZJTQKCIHB-GFCCVEGCSA-N 263.772 3.540 30 20 CHED CCN1CCN(Cc2ccc(F)cc2C#N)c2ccccc21 1191861952 OSYQRDPQQPUZIJ-UHFFFAOYSA-N 295.361 3.544 30 20 CHED Cc1csc(NC(=O)N[C@H](C)c2ccsc2)c1C#N 1204888983 MEQYAOBSLHZIIV-SECBINFHSA-N 291.401 3.872 30 20 CHED C=C(CC)COC(=O)c1csc(-c2ccco2)n1 1254115755 DSUHZTOQZKVTIV-UHFFFAOYSA-N 263.318 3.526 30 20 CHED CCCC[C@@H](CC)CC(=O)OCc1ccc(C#N)cn1 1255859462 CKQDLDNMVBLNHL-CYBMUJFWSA-N 274.364 3.603 30 20 CHED C=CCCC(=O)N1CCC(c2cc(C)ccc2C)CC1 1262350922 KCXUFNOEHSHQQP-UHFFFAOYSA-N 271.404 3.976 30 20 CHED CCC1(CNCc2cc(C#N)ccc2Br)CC1 1308294934 HQMHFTLDYLJAHP-UHFFFAOYSA-N 293.208 3.601 30 20 CHED N#Cc1ccc(CN2CC(C3CCCCC3)C2)cc1F 1308808408 ZRSLRNQIUBYPRM-UHFFFAOYSA-N 272.367 3.709 30 20 CHED CC#CCOC(=O)c1nc(-c2ccccc2)oc1C(C)C 1319235225 NJZDBNMVWCKIFI-UHFFFAOYSA-N 283.327 3.645 30 20 CHED CN(Cc1cc2ccccc2[nH]1)Cc1cc(F)ccc1C#N 1319615030 GFIKSTVNWIRJNG-UHFFFAOYSA-N 293.345 3.811 30 20 CHED COc1cc(/C=C2\CCc3cc(O)ccc3C2=O)ccc1F 1319692418 VJMMCZTUYXRJGN-MDWZMJQESA-N 298.313 3.752 30 20 CHED CCC(=NNc1cncc(Br)c1)C1CCC1 1328090833 JGJJQZOIZGTPAV-UHFFFAOYSA-N 282.185 3.822 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc2sccc2c1 1338328934 NZVYPSJWXGEBDH-CYBMUJFWSA-N 272.373 3.666 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)C1CCC2(CC1)CC2 1338913274 RJVSKCQLKLWARR-UHFFFAOYSA-N 289.766 3.516 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)O[C@@H]2CC[C@H](C#N)C2)cc1C 1343387313 ZRGYSNLWGKPUQN-PQEBFOHHSA-N 283.371 3.642 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1Nc1cccc(CC#N)n1 1345067314 NZOOMRNNXSGNKB-KBPBESRZSA-N 257.381 3.774 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)cc2)c1 1349575824 SMZXRNLARNIPBW-JKSUJKDBSA-N 296.757 3.954 30 20 CHED Cc1nc(C#N)cc(N(C)C2CC(C)(C)CC(C)(C)C2)n1 1458477352 DCJCESSFAAINKP-UHFFFAOYSA-N 286.423 3.698 30 20 CHED CCCC[C@H](CC)CCCN(C)c1nccnc1C#N 1458499622 WFWANIVGOLVAJY-AWEZNQCLSA-N 274.412 3.781 30 20 CHED C[C@H]1CCCC[C@]1(C)NC(=O)c1ccc(C#N)c(Cl)c1 1460709636 MONHRFXVJAXDIT-ZBEGNZNMSA-N 290.794 3.910 30 20 CHED N#Cc1cnnc(NC[C@@H]2CCCC[C@H]2c2ccccc2)c1 1472783780 JCEGJIYJRMYTEO-IRXDYDNUSA-N 292.386 3.734 30 20 CHED N#Cc1c(F)cccc1SCCc1ccc2c(c1)CCO2 1473037978 SWYMCCBNUSBBPE-UHFFFAOYSA-N 299.370 3.967 30 20 CHED N#Cc1cc(F)cc(NCc2cccc3ncccc23)c1 1474235830 KNXVICLPEIKWCX-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C[C@H](CC#N)N[C@H]1CCCC[C@@H](c2ccccc2)C1 1474251077 QWKJDNCBEFYLFQ-OIISXLGYSA-N 256.393 3.995 30 20 CHED C[C@@H](CCCC#C[Si](C)(C)C)OC(=O)CCCC#N 1526335096 FLTKCOHDNGIOID-AWEZNQCLSA-N 279.456 3.663 30 20 CHED Cc1ccc(CC(=O)Nc2cc3ccccc3cc2C#N)o1 1528323074 USJXNKDNPCSLBQ-UHFFFAOYSA-N 290.322 3.794 30 20 CHED CCC[C@@H](CC)C(=O)Nc1ccc(Cl)cc1C#N 1532392937 QQYLYMFTVSWSLR-SNVBAGLBSA-N 264.756 3.976 30 20 CHED CCN(C(=O)c1cccc(C#N)c1C)c1cccc(C)c1F 1532821558 TZGYFDYYHQFADK-UHFFFAOYSA-N 296.345 3.981 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2(c3cccc(F)c3)CC2)c1 1535146742 YHJUWXBKNXDMFX-UHFFFAOYSA-N 298.292 3.507 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1535439578 NTSWYIGNVGEQJT-KOLCDFICSA-N 278.302 3.601 30 20 CHED C=C(Cl)CNC(=O)CCCc1ccc2c(c1)CCCC2 1544096679 SQQWQEGKZPZDIW-UHFFFAOYSA-N 291.822 3.757 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)Nc1sccc1C#N 1563024514 MTFQMNLQFIMNHT-MDZLAQPJSA-N 291.420 3.814 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc(C(=O)O)cc1Cl 1588692709 IJFPGDMKDPBXEA-SECBINFHSA-N 282.723 3.546 30 20 CHED C=CC[C@@H](S[C@@H](C)c1ccccc1OC)C(=O)O 1602850688 YCWCYDRWPGUSRT-GXFFZTMASA-N 266.362 3.519 30 20 CHED C[C@@H](CCC#N)CN(C)[C@@H](C)Cc1cccs1 1621149346 JOKAZRSAXAOOLS-STQMWFEESA-N 250.411 3.551 30 20 CHED N#Cc1cccc(SCCc2nc3ccccc3[nH]2)c1 1643742353 ADWUVNYRFGABGL-UHFFFAOYSA-N 279.368 3.769 30 20 CHED C[C@@H](N=c1cc[nH]c(C#N)c1)C1(c2ccccc2)CCCC1 1651759276 ZKMRMQKGDLCBMB-OAHLLOKOSA-N 291.398 3.688 30 20 CHED CC[C@H](CC#N)N[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1664167133 SRPKWSWFJRSROK-BMFZPTHFSA-N 272.392 3.514 30 20 CHED Cc1c(NN=Cc2cccc3cc[nH]c23)cccc1C(=O)O 1776087888 CWFNOOBRKFQSMC-UHFFFAOYSA-N 293.326 3.621 30 20 CHED Cc1c(NN=C2C[C@H]3CC=CC[C@@H]3C2)cccc1C(=O)O 1776089687 COPVSLSLJXGASB-CHWSQXEVSA-N 284.359 3.837 30 20 CHED CCc1cccc(F)c1/C=C/C(=O)c1cccc(C(=O)O)c1 1776976262 DYZQCHKNHIJOKM-MDZDMXLPSA-N 298.313 3.982 30 20 CHED Cc1oc(/C=C\C(=O)c2cccc(Cl)c2)cc1C(=O)O 1777559612 WNXPGXHOCMRWKE-WAYWQWQTSA-N 290.702 3.836 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Br)cc1C 6336132 NREAIAWXYHAWAH-UHFFFAOYSA-N 299.237 3.620 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(C(=O)O)s2)c1 7333328 KHCSVESFNSKKTE-AATRIKPKSA-N 272.325 3.651 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C(F)(F)F)cc1 16237497 LDFSYQJBDJWZLA-UHFFFAOYSA-N 274.311 3.568 30 20 CHED N#CCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1 26383844 QAHDLWAWVULXRS-UHFFFAOYSA-N 288.709 3.797 30 20 CHED N#Cc1ccc(OCCCOCc2ccccc2)cc1 34674883 RLYQYTPMDPHZKL-UHFFFAOYSA-N 267.328 3.544 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CC#N)c1 42349297 QYVXQYXHHFWZCQ-UHFFFAOYSA-N 290.366 3.654 30 20 CHED C=CCSCC(=O)N[C@@H](c1cccs1)C(C)(C)C 44520313 XZVYEWUZOVGRFR-ZDUSSCGKSA-N 283.462 3.871 30 20 CHED CC(C)(CNc1ccc(C#N)cn1)c1ccc(Cl)cc1 48625987 RPPAIIMDYJCNEK-UHFFFAOYSA-N 285.778 3.996 30 20 CHED C=C(Br)CNC(=O)Nc1cccc(C(C)C)c1 49300194 PUTUSKHUNWWYPM-UHFFFAOYSA-N 297.196 3.840 30 20 CHED N#Cc1ccc(NCc2ccc(C(=O)O)cc2)cc1Cl 50920398 GJYNMENBLZBMSW-UHFFFAOYSA-N 286.718 3.522 30 20 CHED C=C(Br)CN1CCC[C@H]1c1cccs1 52439937 YWSPDDAARCYHCX-JTQLQIEISA-N 272.211 3.794 30 20 CHED C=CCOc1cccc(NC(=O)COC2CCCCC2)c1 55724823 SLYZACZNZIYAEI-UHFFFAOYSA-N 289.375 3.539 30 20 CHED Cc1ccc(C)c(N(C)CCOc2ccc(C#N)cc2)c1 59423299 CYPSFEHFPPMBLQ-UHFFFAOYSA-N 280.371 3.690 30 20 CHED Cc1ccc(C(=O)NC2(C#N)CCCCC2)cc1Cl 63021664 TVBWMKHHSSAZJM-UHFFFAOYSA-N 276.767 3.605 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccoc2)cc1 66397666 YUBKPSIJXGWXTN-OAHLLOKOSA-N 282.343 3.572 30 20 CHED Cc1c(C(=O)[C@@H](C#N)c2ccccn2)oc2c(C)cccc12 66507128 ZFVGJJPROOELRP-AWEZNQCLSA-N 290.322 3.935 30 20 CHED CC(C)CCc1noc(CSc2ccc(C#N)cc2)n1 67945270 TXCPBHUCWDEVLY-UHFFFAOYSA-N 287.388 3.822 30 20 CHED CCN(C[C@@H](C)C#N)Cn1ccc(=S)c2ccccc21 68617015 SZXMBPZDTSHHQK-ZDUSSCGKSA-N 285.416 3.810 30 20 CHED C=CCCCNc1cc(OC)c(Cl)cc1OC 71275329 ZEMWGWRUVYADIS-UHFFFAOYSA-N 255.745 3.735 30 20 CHED CCC(CC)CN(CCC#N)Cc1cn2ccsc2n1 72692858 MFTCGSWFAYPMFT-UHFFFAOYSA-N 290.436 3.548 30 20 CHED CCN(CCCSCC#N)Cc1cccc(Cl)c1 74981785 GYSZHBJCYOGKQC-UHFFFAOYSA-N 282.840 3.809 30 20 CHED C[C@H](NC(=O)[C@H](C)c1ccccc1F)c1cccc(C#N)c1 75276314 FOKVNRLRKQBTHH-OLZOCXBDSA-N 296.345 3.678 30 20 CHED C[C@H](NCc1cccc2cccnc12)c1ccc(C#N)cc1 75755622 NPICHPBYGWXTBE-AWEZNQCLSA-N 287.366 3.957 30 20 CHED C[C@@H]1CCC[C@@H](Nc2ccc(OCC#N)cc2)[C@@H]1C 85085960 HPSVKVHQMKUYPF-XJKCOSOUSA-N 258.365 3.826 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc(F)c1 104542870 BZUGQYGTLJUDIG-UHFFFAOYSA-N 276.355 3.618 30 20 CHED CCn1cc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cn1 111998726 YBPXRZPPCJYWKC-CMDGGOBGSA-N 279.343 3.589 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccnc(Cl)c1 112183776 PZYBGYRWYCCQAS-UHFFFAOYSA-N 292.810 3.944 30 20 CHED CC[C@H]1CC[C@@H](C)N1c1c(F)cc(C#N)cc1F 124466041 YLYNALXCQBZONE-KOLCDFICSA-N 250.292 3.604 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1ccccc1OC)C1CC1 125219475 QVYRNCRWCYLSNK-UHFFFAOYSA-N 299.414 3.955 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CC(C)(C)C 127539690 CALVRBBULPCLOA-ZDUSSCGKSA-N 296.370 3.804 30 20 CHED CCCCCCCC(=O)Oc1cccc(NC(C)=O)c1 127718558 ICBKUMUNJRNEHJ-UHFFFAOYSA-N 277.364 3.911 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc[nH]c1=S 128723976 SUFRQYSJJJCBOG-UHFFFAOYSA-N 264.394 3.563 30 20 CHED C=CCOCCCC(=O)Nc1ccc(F)cc1OCCC 131588765 HCMIUTHCWBHENU-UHFFFAOYSA-N 295.354 3.536 30 20 CHED C=C(Cl)CN[C@@H]1CCc2c(Br)cccc21 131968449 YESRBCLAONLGEO-GFCCVEGCSA-N 286.600 3.779 30 20 CHED C=CCNc1ncc(C(=O)N(CC)CC(CC)CC)s1 136163886 BQXFHQZPYSSWSN-UHFFFAOYSA-N 295.452 3.639 30 20 CHED C=CCN(CC=C)C(=O)CC[C@H](C)c1ccccc1 137116904 VPHOJUTWRFWCGM-HNNXBMFYSA-N 257.377 3.771 30 20 CHED C=CCCS[C@H](C)C(=O)Nc1c(C)cccc1C 151966085 ZJLCXHUQMUXRDU-CYBMUJFWSA-N 263.406 3.940 30 20 CHED CCN(C(=O)C[C@H]1CC[C@H](C)C1)c1ccc(C#N)cc1 152003817 PMLJQGBVCSTUDE-ZFWWWQNUSA-N 270.376 3.737 30 20 CHED C=CC[C@@H](C)NC(=O)CCC(C)(C)c1ccccc1 155169294 WVUKDGAQPCFEST-CQSZACIVSA-N 259.393 3.825 30 20 CHED C=C(C)CNC(=O)Nc1ccccc1OC(C)(C)C 157429886 IKSVRAZGICZEDG-UHFFFAOYSA-N 262.353 3.562 30 20 CHED CC1(C)CCC[C@@H](NCc2ccc(OCC#N)cc2)C1 158903253 JGBGIDMPPGFOEM-OAHLLOKOSA-N 272.392 3.647 30 20 CHED Cc1n[nH]c(C)c1/C=C/C(=O)c1coc2ccccc12 159040005 QNHBPDIKEMAAER-BQYQJAHWSA-N 266.300 3.669 30 20 CHED Cc1ccc(C#N)c(N2CCC(OC3CCCCC3)CC2)n1 160946090 OWMRZFSVFZADLS-UHFFFAOYSA-N 299.418 3.580 30 20 CHED C=CCN(c1ccc(C#N)c(C(F)(F)F)c1)C1CC1 165351947 NRLGIKTXIGJRKY-UHFFFAOYSA-N 266.266 3.732 30 20 CHED C#CCOc1ccc([C@H](C)NCc2cc(C(C)C)no2)cc1 169233919 SATZFZYBKJXELQ-AWEZNQCLSA-N 298.386 3.661 30 20 CHED C#CCN(C)CCCCCc1cc(-c2ccccc2)no1 170648638 SSODQMVSGBMZMT-UHFFFAOYSA-N 282.387 3.619 30 20 CHED CS[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 172354226 ILJZUTRRHLGQPS-OAHLLOKOSA-N 282.368 3.601 30 20 CHED C=C(Br)CSc1ccccc1C#N 172681827 JKHGQOVMXJIMLE-UHFFFAOYSA-N 254.152 3.559 30 20 CHED Cc1cnc([C@H](NCc2cccc(C#N)c2)C2CC2)s1 174546083 QZOPKYRGHNSXEF-OAHLLOKOSA-N 283.400 3.564 30 20 CHED Oc1ccccc1/C=N/C1CCN(C2CCCCC2)CC1 176322955 MLEHEOLYVVDKRA-XMHGGMMESA-N 286.419 3.608 30 20 CHED C[C@H](NCc1ccc(C#N)s1)[C@@H](C)c1ccccc1 176981243 UMEYRMKYIUZANZ-OLZOCXBDSA-N 270.401 3.902 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC12CCCCC2 179365691 YUMDXRAQFSLUDF-HNNXBMFYSA-N 283.375 3.711 30 20 CHED N#Cc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c[nH]1 179933742 JLKYUQDBYATOLI-UHFFFAOYSA-N 299.333 3.710 30 20 CHED N#CCCCSc1ccc(C#N)c(C(F)(F)F)c1 180387168 IKIALIHMHPCKEU-UHFFFAOYSA-N 270.279 3.973 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1C1CCC1 181417283 YODKAWZBKPXXGN-ZFWWWQNUSA-N 264.413 3.705 30 20 CHED C=CCC[C@H](O)CN[C@H](CCC)c1ccc(F)cc1F 181675288 NSYBCSZAWPNREN-XJKSGUPXSA-N 283.362 3.723 30 20 CHED N#Cc1ccc(CNc2nnc(CC3CCCCC3)o2)cc1 181970989 LVTZMFAIKCEUJJ-UHFFFAOYSA-N 296.374 3.676 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1cccc(-n2cccc2)c1 181988725 JVGOTQKXGIJDKL-OAHLLOKOSA-N 282.343 3.572 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(OC(F)F)cc1 182587157 LZTPFQHCJHSJCD-LLVKDONJSA-N 283.318 3.763 30 20 CHED CC#CCCCC(=O)NCC(C)(C)c1ccc(C)cc1 185464454 HEGFNEORXLBBHT-UHFFFAOYSA-N 271.404 3.582 30 20 CHED Cc1cc(C)cc(CCN[C@H]2CCC[C@H](C#N)C2)c1 185838704 DQBONRYSOGAXTJ-IRXDYDNUSA-N 256.393 3.518 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc2c(c1)CCO2)c1ccccc1 186480161 QXJOSDNHAVYRIF-QGZVFWFLSA-N 293.366 3.920 30 20 CHED COc1cccc2c1CCN([C@@H](C)c1cccc(C#N)c1)C2 187720963 UGTTZKYSRQGHLB-AWEZNQCLSA-N 292.382 3.686 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1C=CCCC1)c1ccccc1 188537525 OKTLPNCLNQJLGJ-HZPDHXFCSA-N 255.361 3.571 30 20 CHED CC#CCCCC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 189593961 YJUQCOWNBQMVEA-QZTJIDSGSA-N 283.415 3.708 30 20 CHED CC[C@H](C#N)Nc1cc(Cl)c(Cl)cc1OC 190342620 KAUQVUUURCEHOO-SSDOTTSWSA-N 259.136 3.716 30 20 CHED C=CCN(CCOC)C(=O)Nc1cccc2ccccc12 190390283 KGSOOMAPQXTMDV-UHFFFAOYSA-N 284.359 3.506 30 20 CHED CC(C)N(C)c1ccc(/C=C/C(=O)c2cccc(O)c2)cn1 191228440 IMBTWEVFKANJIK-VQHVLOKHSA-N 296.370 3.528 30 20 CHED C=CCCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 192086430 OIFFXEQQUMHSNS-HUUCEWRRSA-N 283.774 3.865 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 213738451 PMIXAUGWKLICJI-FPLPWBNLSA-N 297.310 3.808 30 20 CHED CCC1(C)CCN(Cc2ccc(F)c(C#N)c2)CC1 229749661 AIEATUMNGILRGB-UHFFFAOYSA-N 260.356 3.709 30 20 CHED N#CCc1ccc(NCc2cccc3cc[nH]c23)cc1 230852235 MUYOWBDZIQMBJU-UHFFFAOYSA-N 261.328 3.846 30 20 CHED COc1cc(CNc2cc(C)cc(C)c2)ccc1C#N 234898169 YZXALZMTPDLCHO-UHFFFAOYSA-N 266.344 3.796 30 20 CHED Cc1cnc([C@@H](C)Nc2nccc(C#N)c2Cl)s1 235286402 BXJKTFKMCRTTJH-MRVPVSSYSA-N 278.768 3.545 30 20 CHED N#Cc1sc(NCc2ccccc2Cl)nc1Cl 236036968 WBJIHZQBHOZIRJ-UHFFFAOYSA-N 284.171 3.934 30 20 CHED N#Cc1ccnc(NCc2ccc(Cl)cc2)c1Cl 236039858 GKGOPQRVGQFMOS-UHFFFAOYSA-N 278.142 3.872 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cccc(O)c2)c1 255343892 NGGWZJRIHAKBKE-SREVYHEPSA-N 252.313 3.905 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 264430240 KNJIBDVHENIADI-JEBQAFNWSA-N 292.382 3.561 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCCOc2ccccc21 268178564 KRDAMBXUUNZREP-MRXNPFEDSA-N 285.387 3.785 30 20 CHED N#Cc1ccc(CNCCCOC2CCCCC2)c(F)c1 269435793 QUHFQLMRJGTGKZ-UHFFFAOYSA-N 290.382 3.526 30 20 CHED Cc1cc(C)nc(N[C@H](CCC#N)c2ccccc2)n1 269591799 CQJVPGRMQLBJFA-OAHLLOKOSA-N 266.348 3.550 30 20 CHED C=CCN(C(=O)NCc1ccccc1C(F)(F)F)C1CC1 271365465 GBNXAGALBNACBZ-UHFFFAOYSA-N 298.308 3.565 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)C=C1CCCCC1 272468052 DFWQBVMEUZPOKU-CYBMUJFWSA-N 284.359 3.806 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](CCOC)c1ccco1 272566151 OJPOGFZCOQUHDS-IHRRRGAJSA-N 251.370 3.548 30 20 CHED COc1ccc(F)cc1[C@H](C)Nc1nccc(C)c1C#N 273384814 UBYLANVIKRFEKD-NSHDSACASA-N 285.322 3.583 30 20 CHED CC#CCCCC(=O)NCc1cc2ccccc2s1 274294692 PWYRWXNJMKMRFG-UHFFFAOYSA-N 271.385 3.711 30 20 CHED CC1(C)CCCN(Cc2coc(-c3ccccc3)n2)[C@H]1C#N 277778722 NPNZVZMVFFIXCF-INIZCTEOSA-N 295.386 3.856 30 20 CHED CC[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)s1 278291099 HALHYCHFPOPYIM-SECBINFHSA-N 284.812 3.909 30 20 CHED CCc1cncc(C(=O)N(CCC#N)c2ccc(C)cc2)c1 278936085 BPVIGDHTAKOCSI-UHFFFAOYSA-N 293.370 3.513 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)c1sc(C)nc1C 281504740 WZPVYAYSLZGSLR-YPMHNXCESA-N 295.452 3.817 30 20 CHED N#CC1CCC(CNC(=O)Nc2ccc(Cl)cc2)CC1 281789170 JSFPBHVJOSIMLR-UHFFFAOYSA-N 291.782 3.791 30 20 CHED CCn1ccnc1[C@H]1CCCCN1c1cccc(F)c1C#N 281894693 DVOWYCZTIRFMKH-MRXNPFEDSA-N 298.365 3.645 30 20 CHED C=C(C)CCc1noc(-c2ccc(SC)o2)n1 285024188 FOGDNXXOQVNMDN-UHFFFAOYSA-N 250.323 3.560 30 20 CHED Cc1noc(C)c1C(C)(C)NCCCCC(C)(C)C#N 285486008 BTRVSJKISSMLON-UHFFFAOYSA-N 277.412 3.836 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 285970375 ODHUZMRBPGHYOO-QAPCUYQASA-N 284.403 3.559 30 20 CHED CC[C@](C)(C#N)c1nc(Cc2c[nH]c3c(C)cccc23)no1 289206435 XXFQZTRZVDSVEY-QGZVFWFLSA-N 294.358 3.641 30 20 CHED C#Cc1ccccc1CC(=O)N(C1CC1)[C@H](C)c1ccco1 291577837 VZZJMWVEQSXJQS-CQSZACIVSA-N 293.366 3.556 30 20 CHED CC(C)(C#N)CCCCN1CCC=C(c2cccnc2)C1 295251041 WRSOZBUULUGAIL-UHFFFAOYSA-N 283.419 3.891 30 20 CHED C=CC[C@H]1N(C(=O)c2ncoc2C2CC2)CCCC1(C)C 295471416 WNKFGSLWHJRRKM-CYBMUJFWSA-N 288.391 3.759 30 20 CHED C[C@H](CCC#N)N1CCC(=Cc2ccccc2F)CC1 298581338 JRBSYQRFXOPVSU-CQSZACIVSA-N 272.367 3.997 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)nn1)c1cccc(C#N)c1 301966075 KNJVYMXRGXOTIA-SECBINFHSA-N 292.264 3.540 30 20 CHED CC(C)C[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 307770498 FROBFMMLUABPQY-ZDUSSCGKSA-N 260.356 3.565 30 20 CHED CCCC[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 310780427 XKZGBFJNLZSCOO-SNVBAGLBSA-N 264.756 3.976 30 20 CHED N#Cc1cc(/C(O)=N/CC2CCCCC2)ccc1F 330542462 YLTRESQUOIOYBW-UHFFFAOYSA-N 260.312 3.582 30 20 CHED Cc1cc(N=C(O)c2sccc2C)nc(C(C)C)n1 330726663 FQFXOCZLLACDQR-UHFFFAOYSA-N 275.377 3.915 30 20 CHED CCC1(C/N=C(/O)N(C)Cc2cc(C)on2)CCCCC1 330871326 GCKZVHBDWQUYSR-UHFFFAOYSA-N 293.411 3.689 30 20 CHED CC[C@@H](C)n1ncc(N/C(O)=N/CCC(C)C)c1C 331164106 XRJYZTSUKWRJNA-LLVKDONJSA-N 266.389 3.535 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1cc(F)ccc1F)CC2 334503524 RXPNCVYGHLTRFX-KRWDZBQOSA-N 284.309 3.614 30 20 CHED Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(C#N)s1 334803803 FQGCSCJOWUGHDT-UHFFFAOYSA-N 299.399 3.555 30 20 CHED Cc1cc(C#N)ccc1C(=O)N(C)Cc1sccc1C 335739176 HXQLGBSYZCBGNL-UHFFFAOYSA-N 284.384 3.509 30 20 CHED C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(C#N)cc1 335871756 PNEANISOLLLRIT-BFUOFWGJSA-N 287.366 3.768 30 20 CHED C[C@H](N[C@H](C)c1ccncc1F)c1cccc(C#N)c1 338015790 VXMUFCPJMXZVDV-NWDGAFQWSA-N 269.323 3.504 30 20 CHED CC#CCN(C)C(=O)c1cc(C)n(C2CCCCC2)c1C 341068056 SJRJFCVLXZWEMX-UHFFFAOYSA-N 286.419 3.705 30 20 CHED CC[C@]1(C)CCN(c2nc(C(F)(F)F)ccc2C#N)C1 343602086 NEPOMPOXJNXOHQ-CYBMUJFWSA-N 283.297 3.598 30 20 CHED CSCc1ccc(CNc2cc(C)nc(C#N)c2)cc1 343944658 KTWGTSHRLLMSGX-UHFFFAOYSA-N 283.400 3.737 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC(OC2CCCCC2)CC1 344055155 VJJWCRAJLMJYHI-GOSISDBHSA-N 293.451 3.929 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCCc2cc(C#N)ccc21 348218184 QTCXSGBFNWMXQT-KRWDZBQOSA-N 281.403 3.855 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1c(C)oc2ccccc12 349934758 PDRGZPGRRSOJNE-ZDUSSCGKSA-N 286.375 3.895 30 20 CHED CC(F)(F)c1cccc(-c2noc(CCCC#N)n2)c1 351165644 JNBBGASYAIPBEU-UHFFFAOYSA-N 277.274 3.695 30 20 CHED C[C@@H]1CCc2nc(/C=C\c3ncccc3C#N)sc2C1 352007979 NRKQRAFEGGIDHY-JMEBYUIHSA-N 281.384 3.705 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnn(-c2ccccc2C)c1 352545774 LSAPQTGZMAEZBV-UHFFFAOYSA-N 297.402 3.513 30 20 CHED C[C@@H](NCCCC#N)C1CCC(C(F)(F)F)CC1 354639149 RKWAOJYPZGSXLD-VOMCLLRMSA-N 262.319 3.637 30 20 CHED CN(CCCCOC(C)(C)C)Cc1cccc(C#N)c1 354878418 ZSCWGBIORIGGOZ-UHFFFAOYSA-N 274.408 3.585 30 20 CHED N#Cc1ccc(CS[C@H]2CCCOC2)c(OC(F)F)c1 355415128 FYSJCZIJVQGECQ-LBPRGKRZSA-N 299.342 3.572 30 20 CHED C[C@@H](Nc1cccnc1C#N)c1cccc(OC(F)F)c1 357313660 KRIVANMSKBSRAV-SNVBAGLBSA-N 289.285 3.728 30 20 CHED C=CCC1(C(=O)Nc2cnc([C@H](C)CC)nc2)CCC1 358181379 KNERWSNZVMRROA-GFCCVEGCSA-N 273.380 3.675 30 20 CHED CC(C)[C@@H](C)N(C(=O)NCC(C)(C)CCC#N)C1CC1 358745941 XXGWEYMUGUCPSI-CYBMUJFWSA-N 279.428 3.535 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1SCCC(F)(F)F 360062864 ISQISPXOAMDTIM-UHFFFAOYSA-N 276.239 3.511 30 20 CHED N#CCCN(Cc1cccnc1)C[C@@H]1C[C@H]1c1ccccc1 361308548 AJPHCGBAAWJEHY-OALUTQOASA-N 291.398 3.601 30 20 CHED COCc1nc(CSc2ccc(C#N)cc2F)cs1 361368509 QIJVJEDHOZYRCG-UHFFFAOYSA-N 294.376 3.593 30 20 CHED C=C[C@H](C)NC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 362626743 JPNYYFSQRZAKRC-RDBSUJKOSA-N 257.377 3.667 30 20 CHED C=CCCC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 364510439 XRAUQTCCKIIKME-UHFFFAOYSA-N 287.403 3.639 30 20 CHED N#CCSCCCN[C@@H]1CCCCC12CCCC2 365845337 CFAFHOZKCXZPBX-CQSZACIVSA-N 266.454 3.726 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1 366901636 UWTWQRCISOCBKS-OYSPMZIOSA-N 296.414 3.510 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c(-c2ccncc2)noc1C 373215989 LLKMCEHIKQXWNM-GFCCVEGCSA-N 299.374 3.520 30 20 CHED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC1CCC1 376783149 RBKSFVIKFFVKBS-ZWKOTPCHSA-N 296.414 3.865 30 20 CHED N#Cc1cnc2ccccc2c1N1CC[C@@H](c2ccco2)C1 377836643 CZGMLNVNQZJECD-CYBMUJFWSA-N 289.338 3.693 30 20 CHED Cc1ccc(NCc2ccc(CC#N)cc2)cc1F 398966347 RHRVDRIJJYEFKF-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C=CCc1ccccc1OCC[C@@H](O)c1ccccc1 402433917 JFBJPLHPKUFLKK-QGZVFWFLSA-N 268.356 3.918 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCC=C(Cl)Cl 407111740 ISZDPTZRTMZPLD-UHFFFAOYSA-N 296.079 3.703 30 20 CHED C=CCOc1ccccc1C(=O)NC[C@@H]1CCCC[C@@H]1C 409528448 PPESEPOKYQIBTO-GJZGRUSLSA-N 287.403 3.808 30 20 CHED C=CCCC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@H]1C 410366357 GXPBGGKWWSFPKK-ABAIWWIYSA-N 263.768 3.658 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412136412 NRVZIOQYZAUBOT-KJWYOANISA-N 296.414 3.699 30 20 CHED CS[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)c1ccccc1 415382924 BFMIZSNSPRLUSG-CZUORRHYSA-N 290.432 3.535 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@@H]1C 416770308 XPLSSOPUUNNTCU-MCIONIFRSA-N 299.418 3.996 30 20 CHED C=CCSCCN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 417313508 WGCFIABLWWAFJS-RWMBFGLXSA-N 267.463 3.749 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(F)c(F)c1C 417506246 LJSWPDYKHDBYBF-JTQLQIEISA-N 268.307 3.749 30 20 CHED C[C@H](CCc1ccc(F)cc1)NCc1ccc(C#N)s1 421353690 UFJODRIUKQCTGY-GFCCVEGCSA-N 288.391 3.870 30 20 CHED C=CCCC[C@H](C)N[C@@H]1CCc2cccnc2CC1 421835401 MLDZZSZKGBFSJH-GOEBONIOSA-N 258.409 3.663 30 20 CHED C[C@H](SCc1nc(C(F)F)no1)c1cccc(C#N)c1 424117592 BOBFYYVDNGZNHU-QMMMGPOBSA-N 295.314 3.873 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 424839668 GDFNRZZVWLRYSX-YJBOKZPZSA-N 271.404 3.899 30 20 CHED CCS[C@H]1CCCC[C@@H]1N=c1[nH]ccc(C#N)c1Cl 429204860 YTFBPGXAYIADTE-RYUDHWBXSA-N 295.839 3.505 30 20 CHED COc1cc(CN(C)[C@@H]2CC[C@H](C#N)C2)ccc1SC 429684289 JYOGMMOXXJIYKW-GXTWGEPZSA-N 290.432 3.541 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C)c2ncccc2c1 435744117 DBLZZOOZMZTIEE-IEBWSBKVSA-N 296.414 3.614 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(F)c(C)c1 436073121 HRTSZJNAHPBTLC-INIZCTEOSA-N 263.356 3.695 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccccc1OCC 436296916 WALMOPZGFBDQIR-VKJFTORMSA-N 289.419 3.717 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]1C[C@H](c2ccccc2)C1 438437801 KASGMHDMHAJYMZ-BRWVUGGUSA-N 284.403 3.683 30 20 CHED C=CCC[C@@H](N[C@H]1CCN(Cc2ccccc2)C1)C1CC1 439079984 PYICUMJPHAMGAI-RBUKOAKNSA-N 284.447 3.595 30 20 CHED CC1(C)CCCN(Cc2nc3ccccc3s2)[C@@H]1C#N 444723719 ANBCMABTPSLYBB-CQSZACIVSA-N 285.416 3.810 30 20 CHED C=CC[C@@H]1N(C(=O)NC[C@@H](C)SC)CCCC1(C)C 445226288 UCTOEABSTPSKAJ-OLZOCXBDSA-N 284.469 3.514 30 20 CHED CC[C@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc(C#N)cc1 447538323 BAFNSJILHQIMTH-LIRRHRJNSA-N 294.398 3.936 30 20 CHED C=CCN(CC1CCCCC1)c1cc(C)nc(COC)n1 448133766 ZMCIJMCMFNETNX-UHFFFAOYSA-N 289.423 3.504 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cc(C)n(C(C)C)n1 448685003 RYADDDMSVUCACL-UHFFFAOYSA-N 297.402 3.601 30 20 CHED C=CCCCC[C@H](C)N[C@@H](CO)c1c(F)cccc1F 449138599 CNOJAIOCNJROCZ-WFASDCNBSA-N 283.362 3.723 30 20 CHED N#CCCN(CCC1=CCCCC1)Cc1ccco1 450464433 YUSWEAQARCTIAN-UHFFFAOYSA-N 258.365 3.886 30 20 CHED C=C(C)CCNC(=O)c1ccc(CN(CC)CCC)cc1 452725216 RPXFEVXNRQOYTK-UHFFFAOYSA-N 288.435 3.615 30 20 CHED C=CC[C@H](C(=O)NC[C@H]1CCCC1(F)F)c1ccccc1 452801735 DZWXYDXLGZOEBG-CABCVRRESA-N 293.357 3.898 30 20 CHED Cc1ccc(Br)c(OC[C@@H](C#N)CCC#N)c1 453044357 VPNSLXHPYPWFIL-LLVKDONJSA-N 293.164 3.580 30 20 CHED C=CC(C)(C)c1nc(C(C)(C)c2ccccc2)no1 453177301 NUXKSFVZDLMELE-UHFFFAOYSA-N 256.349 3.859 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@@H]1[C@@H](C)CCC 455319703 GUNRMJOEYDJICL-UONOGXRCSA-N 252.402 3.563 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 455366532 MHOIJLCYLXBTDU-NSHDSACASA-N 296.361 3.879 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1c(C)cc(C)nc1C 455477475 FIYNRSYYILBMDJ-LBPRGKRZSA-N 275.396 3.873 30 20 CHED N#CCc1cccc(NC(=O)NCCC2=CCCCC2)c1 455952513 UBGUDHGIDWCILP-UHFFFAOYSA-N 283.375 3.765 30 20 CHED C=CCC1(CNC(=O)Cc2cccs2)CCCC1 456490655 XROKIOOCVTUFAS-UHFFFAOYSA-N 263.406 3.543 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C#N)s2)C1 456995320 HLIJPHSGODXCDW-SDDRHHMPSA-N 276.405 3.564 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)[C@H](C)c1cccc(C#N)c1 457201106 XRYJARHUFQUMQA-CHWSQXEVSA-N 272.392 3.603 30 20 CHED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]2CCCC[C@H]21 459872068 GOQGBJOFZDVILC-TWMKSMIVSA-N 291.435 3.539 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(CC)CCC1CC1 460783607 PJMWBGRNKAMRCO-UHFFFAOYSA-N 276.428 3.604 30 20 CHED C[C@H](C(=O)NCC[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 462064891 HMFUAOZTIZCJRO-YQQAZPJKSA-N 298.430 3.994 30 20 CHED C=CCC[C@H](CCC)NCC1(CCO)CCCC1 462117590 CEPAKJDWKUJAAS-HNNXBMFYSA-N 253.430 3.654 30 20 CHED C=C[C@H](C)NC(=O)CCCCOc1cc(C)ccc1C 465104532 SRINBMWXGMLGKW-HNNXBMFYSA-N 275.392 3.543 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccc(OCC)cc1 466377684 GNODVMKBAMIAQT-OAHLLOKOSA-N 290.407 3.581 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](CC)c1ccc(OC)cc1 466525597 BNCIRCOQCHMMKR-HOCLYGCPSA-N 275.392 3.660 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)c1ccc(CC)cc1 466534236 NYMAQSHTDUTLKY-MRXNPFEDSA-N 273.420 3.998 30 20 CHED C=CCCN(C)C(=O)N[C@H](CCC)Cc1ccccc1 467015967 UHXJDLXMPBCKFB-MRXNPFEDSA-N 274.408 3.615 30 20 CHED C=CCCCCNCc1cc2cc(OC)ccc2o1 472056127 RRXUCNNCVPUXBG-UHFFFAOYSA-N 259.349 3.887 30 20 CHED Cn1c(COc2cc(Cl)ccc2C#N)nc2ccccc21 474357585 UQUCVQUSBLMREY-UHFFFAOYSA-N 297.745 3.677 30 20 CHED CCC1(CC)CCC(NC(=O)C2(C#N)CCCC2)CC1 475787824 GNCHPPPAXUXMQI-UHFFFAOYSA-N 276.424 3.936 30 20 CHED Cn1cc(CN[C@H]2CCCC[C@H]2c2ccccc2)cc1C#N 480668394 MPAZOQZVHOGBTI-OALUTQOASA-N 293.414 3.713 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCC#Cc1ccc(F)cc1 481167695 LRUDLLSOBDKHDA-JKIFEVAISA-N 259.368 3.592 30 20 CHED C=CCOc1cccc(CNc2cnc3ccccc3n2)c1 486368451 AQGIMVXPQWBZFB-UHFFFAOYSA-N 291.354 3.807 30 20 CHED CSc1ccccc1CN(C)c1ccc(C#N)c(C)n1 487720177 MVOAFPJKBQMPLE-UHFFFAOYSA-N 283.400 3.620 30 20 CHED C=C[C@H]1CCCCN1Cc1cccc2cccnc12 489400125 JIBLXMWMGFFFJY-INIZCTEOSA-N 252.361 3.775 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc2c(cnn2C(C)C)c1 489482598 OGEHTFQVNDZDAC-MRXNPFEDSA-N 284.407 3.553 30 20 CHED C=CCn1cccc1C(=O)N1CC2(CCC2)c2ccccc21 489602166 HYIUVKVYCREUMY-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CN(Cc1cccc2[nH]ccc12)c1ccc(Cl)c(C#N)n1 493658585 OCXFWFDBXHCRBE-UHFFFAOYSA-N 296.761 3.724 30 20 CHED C=C(C)CN(C)Cc1c[nH]nc1-c1ccc(Cl)cc1 497245026 DNIMILHXOCJXJH-UHFFFAOYSA-N 275.783 3.738 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H](C)C(C)C)c1C#N 498082238 MZAQXFDDTVIENR-VIFPVBQESA-N 264.394 3.721 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1CCCC1(C#N)CCOCC1 499549181 NGBBUTRTVIJJNR-IAGOWNOFSA-N 292.467 3.988 30 20 CHED C[C@H]1CCCc2ccccc2[C@H]1NC(=O)CC(C)(C)C#N 505287689 NSHDBOKKEHBGNY-GUYCJALGSA-N 284.403 3.756 30 20 CHED C=C(C)CCSc1ccc2c(c1)OCCCO2 505460579 DFMOWEWNPUYNDA-UHFFFAOYSA-N 250.363 3.906 30 20 CHED CC#CCSC[C@@H](OC)c1ccc(Cl)cc1 509142914 YUUAHYIOKATGDG-CYBMUJFWSA-N 254.782 3.784 30 20 CHED C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(F)(C#N)CC1 510954473 UJBVDARGEPWNOM-JTQLQIEISA-N 284.737 3.868 30 20 CHED CCN(CCOc1ccc2ccccc2c1)C[C@H](C)C#N 513402399 VWXFZDHAPXRUQK-OAHLLOKOSA-N 282.387 3.700 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 513631296 ZCQSXSGIGRPIRQ-URBCHYCLSA-N 275.783 3.843 30 20 CHED CC[C@](C)(C#N)NC(=O)c1csc(C2CCCCC2)n1 518337238 JDABHESLCGOCPQ-OAHLLOKOSA-N 291.420 3.613 30 20 CHED CCOc1cccc(Cl)c1CN1CCC(C)(C#N)CC1 518394667 WKLKYAITMLOTEU-UHFFFAOYSA-N 292.810 3.864 30 20 CHED CCC[C@H](C#N)NC(=O)c1c(-c2ccccc2)oc(C)c1C 527079130 XYEPBWSPBHDCAX-OAHLLOKOSA-N 296.370 3.986 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 529272238 OABNPBVJLJBRKZ-FHIRATQRSA-N 287.403 3.803 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(c1)OCC2(C)C 529642857 GLCMMUMAXPGPQH-UHFFFAOYSA-N 259.349 3.507 30 20 CHED CCC[C@@H](C(=O)Nc1ccc(COC)c(C#N)c1)C(C)C 529817739 PQHWYIWJHCQBAP-MRXNPFEDSA-N 288.391 3.715 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)[C@H](C)C2CCCCC2)C1 532334962 QTTHMKZAMBANEP-CWVKQELPSA-N 276.424 3.647 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 538124374 IVKPIOOHDXYMLA-RCBQFDQVSA-N 275.367 3.790 30 20 CHED C=CCN(C(=O)CCSc1ccc(Cl)cc1)C1CC1 539035645 QPDUEKYKXOXRJV-UHFFFAOYSA-N 295.835 3.999 30 20 CHED Cc1cccc([C@H](NCC2(C#N)CC2)C(C)(C)C)c1 539492388 RXXWLDVHXWRSLT-HNNXBMFYSA-N 256.393 3.976 30 20 CHED C[C@H](N[C@@H]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 540702851 XTAYNHLGJJBJRI-BFQNTYOBSA-N 260.356 3.927 30 20 CHED N#Cc1ccc(N2CCC[C@H](c3ccc(F)cc3)CC2)cn1 540872699 BRJRNOOULJDHJB-AWEZNQCLSA-N 295.361 3.866 30 20 CHED C=CCC[C@H](C)NCc1cc(OC)ccc1Br 541741063 GGTNLOXUVXWGFY-NSHDSACASA-N 298.224 3.902 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1C#N 544141414 DTACDOUGPSXQPX-APHBMKBZSA-N 295.773 3.665 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1cccc(F)c1C#N 546182053 MKQDHZRUAOPVSW-QMMMGPOBSA-N 260.234 3.840 30 20 CHED CCC[C@H]1CCCN(c2nccc(C#N)c2Cl)C1 553108758 VJQFOANNUSFIHD-NSHDSACASA-N 263.772 3.623 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(CC)c(Cl)c1 553568673 OPVXSLHRIHMAKG-NSHDSACASA-N 281.783 3.822 30 20 CHED C[C@@H](C#N)C(=O)NCc1ccc(C2CCCCC2)cc1 554076964 HWBGSYIYCSYTEF-ZDUSSCGKSA-N 270.376 3.510 30 20 CHED CCc1sc(C(=O)Nc2ccccc2CC#N)cc1C 559237352 XZCRGIWEEAHCGM-UHFFFAOYSA-N 284.384 3.937 30 20 CHED Cc1csc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)c1C#N 562477971 YYGJPFYOEQIIPO-YPMHNXCESA-N 289.404 3.725 30 20 CHED CC1(C#N)CN(CCCSc2ccccc2Cl)C1 562496187 IZDXBXOOLYTTNA-UHFFFAOYSA-N 280.824 3.668 30 20 CHED N#CC1(CSCc2nc(-c3cccs3)no2)CCC1 565647852 DAQAQSNCQYUBLC-UHFFFAOYSA-N 291.401 3.725 30 20 CHED C=C(C)Cn1c(CC)nnc1N(Cc1ccccc1)C1CC1 573857341 BETNKLGUENUMRS-UHFFFAOYSA-N 296.418 3.586 30 20 CHED CC#CCCCc1nc(-c2cnc3ccccc3c2)no1 574237186 PFQLUBCKAKAVHY-UHFFFAOYSA-N 277.327 3.631 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CCC#N)CC2)[C@@H]1C 575271180 RMGORLDKQRTTJW-IIAWOOMASA-N 291.439 3.536 30 20 CHED Cc1cncc(C(=O)/C=C\c2cc(F)c(F)cc2F)c1 588476602 SRMCCTWJVNNRAG-IHWYPQMZSA-N 277.245 3.703 30 20 CHED Cc1cc(/C=C\C(=O)c2ccccc2C#N)ccc1F 588618214 HXQGFKHOYQJEKO-CLFYSBASSA-N 265.287 3.902 30 20 CHED N#CCCCCCC(=O)N(CC1CC1)c1ccccc1 588755765 YCQSGZFSVWMLJH-UHFFFAOYSA-N 270.376 3.904 30 20 CHED Cc1noc(C)c1[C@@H](C)NCCC1(C#N)CCCCC1 591023408 JCSQPJADKJOTLB-GFCCVEGCSA-N 275.396 3.806 30 20 CHED C=CCOCC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 591104039 OBVAKXLRTZMAHM-UHFFFAOYSA-N 297.354 3.928 30 20 CHED Cc1ccc(CN(CC(C)C)C(=O)C(C)(C)C#N)c(C)c1 592670990 GTIZPUMJXRYUAP-UHFFFAOYSA-N 286.419 3.838 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C(C)(C)C 593976292 UAYUZWOJIPQDEK-PBHICJAKSA-N 298.430 3.774 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(C2CC2)c1 594001252 MBTNAGPOKCGRMB-QGZVFWFLSA-N 270.376 3.622 30 20 CHED N#CCC1(CNc2ccc(F)cc2OCC(F)F)CC1 594703411 OUQPLBNTXLYVAX-UHFFFAOYSA-N 284.281 3.575 30 20 CHED C[C@@H]1CN([C@@H](C#N)c2ccccc2)[C@H]1c1ccccc1 595340594 CSBGVMMAEVIFOB-FHLIZLRMSA-N 262.356 3.944 30 20 CHED CC(C)c1cccc(CN2CCC(CC#N)CC2)c1 595428038 ZDJGKRYKHADHRF-UHFFFAOYSA-N 256.393 3.936 30 20 CHED C[C@H](C#N)N(Cc1cccc2ccccc12)C1CC1 595720505 JDOKHTKTIGCAFQ-CYBMUJFWSA-N 250.345 3.716 30 20 CHED Cc1ccc(C#N)nc1N1CCC(OC2CCCCC2)CC1 596100984 GLBVZZKRROVEOR-UHFFFAOYSA-N 299.418 3.580 30 20 CHED Cc1ccc(C(C)(C)CNC2CCC(C)(C#N)CC2)nc1 598990557 GXMRXGJUCHVBFB-UHFFFAOYSA-N 285.435 3.730 30 20 CHED Cc1ccc(-c2ccc([C@H]3CCCN3)cc2)cc1C#N 600793807 PHJWSGMFVOOZRV-GOSISDBHSA-N 262.356 3.958 30 20 CHED N#Cc1cc(Oc2ccc3c(c2)CCC3)nc(C2CC2)n1 601100718 ZVFKMHJSIKBIJH-UHFFFAOYSA-N 277.327 3.507 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2cscc2Cl)C1 603168233 RMXDHGFDSIGLBD-SECBINFHSA-N 283.784 3.559 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)CCC1CCCCC1 604248057 YULISGVYQGXEPP-GJZGRUSLSA-N 281.440 3.833 30 20 CHED C=CCCN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 606897490 VXWSAPXARIFHIW-IRXDYDNUSA-N 259.393 3.662 30 20 CHED CN(Cc1c(Cl)cccc1Cl)c1cccc(C#N)n1 609892170 OJVWKUBPHKMEEB-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=CCCCOc1ccc(Br)cc1C(=O)OC 610131789 AUALXZGOLUGGOB-UHFFFAOYSA-N 299.164 3.581 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)cs1)C1CCCCC1 610614969 LIQDIHLXTFQZQQ-CYBMUJFWSA-N 276.405 3.708 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H](C)c1c(Cl)cccc1Cl 611148992 RAHHPHOLCROPLM-BDAKNGLRSA-N 285.174 3.515 30 20 CHED CC[C@H](C#N)NC(=O)C(C)(C)c1ccc2ccccc2c1 611149024 YNSKBMGEUVYWNF-MRXNPFEDSA-N 280.371 3.536 30 20 CHED C=CCCCC[C@H](C)NCc1ccc([S@](C)=O)cc1 611347196 NNEJKQHLDGGQLM-LIRRHRJNSA-N 279.449 3.649 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc(C#N)cc1 611541168 DYNDSXNAQSGELE-PWSUYJOCSA-N 268.282 3.725 30 20 CHED CC(C)c1ccc(C(C)(C)NC(=O)NC[C@@H](C)C#N)cc1 611624021 ISGQZKWHEHUJKM-ZDUSSCGKSA-N 287.407 3.504 30 20 CHED CC(C)OCCCCN[C@@H]1CCCc2cc(C#N)ccc21 611973775 MIJVYFDMDCKIBC-GOSISDBHSA-N 286.419 3.730 30 20 CHED Cc1cc(NC(=O)C(C)(C)C#N)cc(C(F)(F)F)c1 617127163 XEIFOLSPTYQREU-UHFFFAOYSA-N 270.254 3.502 30 20 CHED C=CCOc1c(Cl)cc(CNC[C@@H]2C[C@H]2C)cc1OC 623357311 ILOLXBFHHJJPPP-YPMHNXCESA-N 295.810 3.659 30 20 CHED C=CCCNC(=O)[C@H](CCC)c1cccc(Cl)c1 628058516 NGCMLXXJGUHKHY-CQSZACIVSA-N 265.784 3.916 30 20 CHED C=CCCOCc1nc([C@@H]2CCCC[C@@H]2CC)no1 645655261 YTXUBLGLXKPGEV-QWHCGFSZSA-N 264.369 3.846 30 20 CHED C=CCCn1cc(CN(C)c2cccc(C(C)C)c2)nn1 653506734 JFXVEEMIGDZJHZ-UHFFFAOYSA-N 284.407 3.614 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1nccn1C(C)C 657496020 NDEJETLWKRGWKJ-KRWDZBQOSA-N 283.419 3.741 30 20 CHED C=C(C)COc1cccc(NC(=O)c2c(C)cncc2C)c1 675450838 XDCGWRITFKKUIZ-UHFFFAOYSA-N 296.370 3.906 30 20 CHED C=CCn1c(CCCC)nnc1N1CCC[C@@H]2CCC[C@H]21 685541289 ZYSODEVGQKXZMA-LSDHHAIUSA-N 288.439 3.576 30 20 CHED N#Cc1c(COC(=O)C2CCCCCC2)cn2ccccc12 726212090 RLSAJBTYPPEJAF-UHFFFAOYSA-N 296.370 3.825 30 20 CHED C#Cc1cccc(NC(=S)N(C)Cc2ccc(C)cc2)c1 726439476 AFSAQGJQDXSPDL-UHFFFAOYSA-N 294.423 3.805 30 20 CHED Clc1ccc2c(C=NNC3CCCC3)c[nH]c2c1 727651535 DFPQILSRBDLYAP-UHFFFAOYSA-N 261.756 3.687 30 20 CHED CC(=NNc1cccc2cnccc12)c1cccc(C#N)c1 728431884 GXYPEAVZGGIXCE-UHFFFAOYSA-N 286.338 3.943 30 20 CHED Cc1ccc(C=NNc2ccc(Br)cc2F)o1 728432874 GLGOOFICYUJTLK-UHFFFAOYSA-N 297.127 3.936 30 20 CHED Cc1ccc(COC(=O)CSc2ccc(C#N)cc2)cc1 728677104 KKSVIKGLAAOXCU-UHFFFAOYSA-N 297.379 3.702 30 20 CHED C#Cc1ccc(C(=O)Oc2ccc(Cl)c(Cl)c2)nc1 728800045 JJYLBJTXBQNJAK-UHFFFAOYSA-N 292.121 3.589 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNc1ccc(C)nn1 729936358 QVRGYDGFJGBCAA-CYBMUJFWSA-N 260.385 3.955 30 20 CHED Cc1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)cc1C 730149196 CSHSERWXTIIZLL-WAYWQWQTSA-N 286.352 3.959 30 20 CHED CC[C@@H](C)CN(C)C(=S)Nc1ccc(C#N)c(Cl)c1 731942566 VTAHDPNSYJSKTI-SNVBAGLBSA-N 295.839 3.886 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 732622177 MYYVGTJYVAAZFQ-UHFFFAOYSA-N 296.739 3.541 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNC(=S)Nc2ccccc2)o1 732763632 NJKMKYSZSWVUNQ-RISCZKNCSA-N 299.399 3.724 30 20 CHED C#CCCOc1ccc(CN[C@H]2CCCC[C@@H]2C)cc1 733321749 ITNGFDALCFNGLQ-YJBOKZPZSA-N 271.404 3.757 30 20 CHED C=CC[C@H](C)NCc1ccc2c(c1)CCC(C)(C)O2 735086732 RJJTUGVRHUPKAA-ZDUSSCGKSA-N 259.393 3.844 30 20 CHED CN(C(=O)/C=C/C1CCCCC1)c1cccc(C#N)c1 735432519 KKBCXWVOLISJGY-ZHACJKMWSA-N 268.360 3.658 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(NC(=O)O)c1 736097284 CZBRWPIEFPAPLJ-UHFFFAOYSA-N 290.363 3.595 30 20 CHED Fc1ccc(-c2ccc(C=NNCC(F)F)s2)cc1 740617397 HSVXVZWXRYSKNT-UHFFFAOYSA-N 284.306 3.743 30 20 CHED Cc1ncsc1/C=C1\C(=O)c2c(O)ccc(F)c2[C@H]1C 742432416 WBUPFPCHIJBQOX-VYVBZAQUSA-N 289.331 3.680 30 20 CHED C=CCOc1ccc(OC(=O)c2ccccc2C)cc1 742859839 BECNXUJCPCLTMS-UHFFFAOYSA-N 268.312 3.779 30 20 CHED CC1(C)C(=NNc2cccc(Cl)c2)[C@H]2CCCO[C@@H]21 743420305 BVNQELAHOXZWOU-OCCSQVGLSA-N 278.783 3.943 30 20 CHED C[C@H](NN=C1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 743435267 AIRSGFJDDBKEHS-NOLJZWGESA-N 272.392 3.528 30 20 CHED CCc1ccccc1NN=C1[C@@H]2CCCO[C@@H]2C1(C)C 743439036 ZTJZELRZWGWVGM-BBRMVZONSA-N 272.392 3.852 30 20 CHED N#CCOc1ccccc1C(=O)OCCC1CCCCC1 744249966 PKUUKQQMIZGCLQ-UHFFFAOYSA-N 287.359 3.716 30 20 CHED CCC1(C/N=C\c2cc(Cl)ccc2O)CCOCC1 745976475 IOPQJYLKHZZAEF-YVLHZVERSA-N 281.783 3.671 30 20 CHED CCOc1cccc(/C=C2/Cc3ccc(OC)cc3C2=O)c1 747441010 QLIOOODSOCPPCT-DHDCSXOGSA-N 294.350 3.916 30 20 CHED C=CCCC(=NNc1ccccc1C(=O)O)C1CC1 747755109 LCYSVYBRNYMBNG-UHFFFAOYSA-N 258.321 3.529 30 20 CHED C=CCN(C(=O)[C@H](CC)Oc1cccc(C)c1)C(C)C 749320643 JSSGOVWPUPUREG-INIZCTEOSA-N 275.392 3.575 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C\c1cccc(OC)c1O 749929881 GTCLGIUPVMFLRI-RYTIGUFHSA-N 293.432 3.884 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCc2cc(C)ccc21)OCC 755444275 FHKZQLPEMZDJIL-KRWDZBQOSA-N 287.403 3.646 30 20 CHED O=C(O)c1ccc(NN=C[C@@H]2CCc3ccccc32)cc1 755455186 LXGGIXMHTTULLF-AWEZNQCLSA-N 280.327 3.513 30 20 CHED CC[C@H](C)C=NNc1ncnc2sc3c(c12)CCC3 755520994 JYPPXWAQGGTSNP-VIFPVBQESA-N 274.393 3.624 30 20 CHED FC(F)(F)c1csc(NN=C2CCc3ccccc32)n1 755903153 GPMUTKNHDLFETC-UHFFFAOYSA-N 297.305 3.924 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2cccc(F)c2F)c1 757466890 AGSJMXGEPJQCKB-FNORWQNLSA-N 290.265 3.575 30 20 CHED C#CC[C@H](NC(=O)c1cc(C)n(CC)c1C)c1ccccc1 757580051 OTELZAIXFLIPMU-SFHVURJKSA-N 294.398 3.619 30 20 CHED C=C[C@@H](CC(=O)OCc1c(CC)noc1C)c1ccccc1 758907587 KMMDZYXLLYJEIF-AWEZNQCLSA-N 299.370 3.949 30 20 CHED C[C@@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)c1ccncc1 759307073 SBQHXVCMBKMSPD-KBPBESRZSA-N 294.354 3.751 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(C)s1)C2=O 759664681 LMVOUFJKKIWGHG-DHZHZOJOSA-N 270.353 3.888 30 20 CHED Cc1cc(C(=O)/C=C\c2cnc(Cl)c(C)c2)ccc1O 760266158 SIEYXRBFPFMEAA-HYXAFXHYSA-N 287.746 3.954 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccc(C)cc1O 761886405 ZMQGKWCPARDGKM-UHFFFAOYSA-N 288.322 3.684 30 20 CHED C#CCCc1noc(-c2cccc(Cl)c2Cl)n1 762016684 UBAGVPHBSWLLHP-UHFFFAOYSA-N 267.115 3.609 30 20 CHED Cc1nc(C#N)c(NN=C2C[C@@H](C(C)C)c3ccccc32)o1 766450438 NLOXDKCELVQYPZ-AWEZNQCLSA-N 294.358 3.814 30 20 CHED C#C[C@@H](C)N(C)C(=O)C1(Sc2ccccc2)CCCC1 767231538 GWLQGDSDEQTOGT-CQSZACIVSA-N 287.428 3.572 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccccc1Oc1ccccc1 767237912 XCBOQESTQJCHRR-CQSZACIVSA-N 279.339 3.573 30 20 CHED CCCOc1c(Cl)cc(C=NOCC)cc1OCC 767470724 ZZOCEERSQAEZFG-UHFFFAOYSA-N 285.771 3.898 30 20 CHED C#C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)C1CC1 767521631 OOCXYKGITPZOQS-OTWHNJEPSA-N 290.362 3.898 30 20 CHED CC(Cc1ccncc1)=NNc1ccccc1Cl 767742695 IABWYPDPNNASIY-UHFFFAOYSA-N 259.740 3.766 30 20 CHED CCCCCCCC(=O)NCc1ccc2c(n1)CCCC2 768057734 CPCYGZAYKKAHME-UHFFFAOYSA-N 288.435 3.937 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1ccc(O)c(Cl)c1 768759185 XWDUGNZJKFLDES-ALCCZGGFSA-N 298.729 3.589 30 20 CHED C#CCCCOC(=O)c1cncc(-c2cccc(C)c2)c1 768768492 AEXZMBSNYLUUHI-UHFFFAOYSA-N 279.339 3.627 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 769400484 YMDVRYXGJQYPOZ-LSDHHAIUSA-N 263.425 3.757 30 20 CHED COc1ccc(O)c(/C=N\CCCc2cccs2)c1 769549010 LOAZBZAPUPXWRY-WJDWOHSUSA-N 275.373 3.514 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2c(F)cccc2Cl)s1 769826228 BGWXTUVFJUSGCS-UHFFFAOYSA-N 299.714 3.895 30 20 CHED C#CCOc1ccc(CNc2ccc(N(C)C)cc2C)cc1 770482347 VDHBGJICJKGTGP-UHFFFAOYSA-N 294.398 3.685 30 20 CHED N#Cc1cc(/C=C2\CCc3sccc3C2=O)ccc1F 770571893 ACAFHYQAEAPKOC-YRNVUSSQSA-N 283.327 3.971 30 20 CHED C[C@@H](C#N)COC(=O)Cc1coc2ccc3ccccc3c12 770941172 FYCZRNXRUHESNC-LBPRGKRZSA-N 293.322 3.831 30 20 CHED C#CCCOc1ccc(CNc2ccc(C)nc2C)cc1 772943475 OPOZMHDQBPOCPS-UHFFFAOYSA-N 280.371 3.713 30 20 CHED CC(C)c1nccnc1NN=Cc1nccc2ccccc12 773079140 VISMLHKBSIASKP-UHFFFAOYSA-N 291.358 3.594 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(C(F)(F)F)cc1Cl 775256185 VPHWLMNFLAZQQD-QMMMGPOBSA-N 291.656 3.818 30 20 CHED CC[C@](C)(NCc1cc(C#N)ccc1OC)c1ccccc1 775389730 XYKFQSISHIDVAE-IBGZPJMESA-N 294.398 3.982 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(Cl)c1O 775753331 JGNJWPZNMSDLCU-UHFFFAOYSA-N 281.783 3.864 30 20 CHED Cc1cc(NN=C(CC2CCC2)c2ccccc2)ncn1 776185513 CBWRCSBCVLNVAO-UHFFFAOYSA-N 280.375 3.791 30 20 CHED CC(=NOCCC(F)(F)F)c1nc2ccccc2s1 777462959 SZEXKKTYCWFRRB-UHFFFAOYSA-N 288.294 3.989 30 20 CHED C[C@@H]1[C@@H](OC(=O)C2(C#N)CCCCC2)CCC[C@H]1C 779269285 GZBDVSCDCLSUJK-RDBSUJKOSA-N 263.381 3.828 30 20 CHED COc1ccc(NN=C2CC[C@H](C)c3ccccc32)nc1 780268043 PJOJKLQZRIVTEA-LBPRGKRZSA-N 281.359 3.804 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cn1 781600541 JEAOUNBHPJWFLW-JTQLQIEISA-N 286.718 3.525 30 20 CHED Clc1ccnc(NN=Cc2scnc2C2CC2)c1 782268389 PWRZZPISBPYXIX-UHFFFAOYSA-N 278.768 3.515 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(F)cc1F 782450129 TWPCGVGPQUDYMX-ZBEGNZNMSA-N 298.329 3.798 30 20 CHED C#CCCCCNC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 782595664 ZUOHKAZNBAFPQA-MSOLQXFVSA-N 298.430 3.501 30 20 CHED CC(C)(C)CCNN=C/C=C\c1ccccc1[N+](=O)[O-] 782902480 ASISYKPRYPTWLQ-JJOLXKHZSA-N 275.352 3.620 30 20 CHED CCC(=NNc1cnnc2ccccc12)c1cccc(F)c1 783516647 OOMDXQWIACMWES-UHFFFAOYSA-N 294.333 3.995 30 20 CHED C=CCCCCCOC(=O)C[C@@H](O)c1cccc(F)c1 784365123 IAVKZRVDEHIURG-OAHLLOKOSA-N 280.339 3.539 30 20 CHED C=CCCCCCOC(=O)c1nc(Cl)ccc1F 784405354 KWUQGLUNETXQIV-UHFFFAOYSA-N 271.719 3.777 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(=O)oc2c(C)c(C)ccc12 785996568 FCABLSDNESUXIM-INIZCTEOSA-N 297.398 3.950 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H](C)c1ccc(C)o1 787946093 ZQJHBBLETFLFKG-CYBMUJFWSA-N 276.380 3.622 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1ccc2c3c(cccc13)CC2 788035641 AFFUNKFRAPLGDD-CQSZACIVSA-N 295.382 3.716 30 20 CHED C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C1CCCC1 788037835 BJNORDLQTHUESQ-YOEHRIQHSA-N 284.403 3.581 30 20 CHED O=C(O)c1ccc(NN=C2CCC23CCCC3)cc1 788695116 VXFANHJJKFOKAE-UHFFFAOYSA-N 258.321 3.507 30 20 CHED N#Cc1cccc(-c2cc(C(=O)OCC3CCCC3)on2)c1 789123707 SAJYBNSFSNRSJW-UHFFFAOYSA-N 296.326 3.560 30 20 CHED C#CCN(CCCCOC(C)(C)C)Cc1ccc(F)cc1 789308948 CJSMVOXGOPCXFV-UHFFFAOYSA-N 291.410 3.856 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CC(=O)c2ccccc21 789663025 FPMDSMYZLUFURI-MRXNPFEDSA-N 287.403 3.833 30 20 CHED Cc1cccnc1NN=C[C@@H]1C[C@@H]1c1ccccc1 790185147 HPSXWSUWVFKGMG-LSDHHAIUSA-N 251.333 3.591 30 20 CHED C#CCCOc1ccc(CNCCC=C(C)C)cc1 790991775 QLRPYYMOMOTGFM-UHFFFAOYSA-N 257.377 3.535 30 20 CHED CCCCCCCC(=O)NCc1cccc([N+](=O)[O-])c1C 791015788 JGVWLXXPQAMYLE-UHFFFAOYSA-N 292.379 3.880 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 791064352 GFAAQKSLGXJFSQ-ZWKOTPCHSA-N 298.430 3.513 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1Cc1ccccc1C 791072502 CCFNDMOWMQNBDX-ROUUACIJSA-N 298.430 3.513 30 20 CHED C#C[C@@H](CCC)NC(=O)CCc1ccc2ccccc2c1 791201045 MHSDENKEDZIQEV-SFHVURJKSA-N 279.383 3.691 30 20 CHED CC(C)c1ccc(/C=C/C(=O)c2ccnc(O)c2)cc1 791431141 GHZBOMCVLMFRQB-VMPITWQZSA-N 267.328 3.807 30 20 CHED CCC(CC)[C@@H](C)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 792100135 KVRMUCATXVXPNI-OCCSQVGLSA-N 295.386 3.878 30 20 CHED COc1ccccc1C(C)=NNc1cccc(Cl)n1 793163041 WHXPABJZNRZJEB-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(C)C[C@H]1CCCC(=NNc2ccnc(N(C)C)n2)C1 794514008 GCFCVGDSPDCZOR-CYBMUJFWSA-N 289.427 3.547 30 20 CHED O=C(/C=C\c1cc(F)c(F)cc1F)c1ccnc(F)c1 794718890 GJYAKAKMFXJGFA-UPHRSURJSA-N 281.208 3.534 30 20 CHED Cc1ccccc1-n1nccc1/C=C/C(=O)c1cscn1 794945261 HNEURJBJTSKDJO-VOTSOKGWSA-N 295.367 3.533 30 20 CHED COCCCON=C(C)c1cccc(-c2ccncc2)c1 795045651 UFNNQTRDWFYKOO-UHFFFAOYSA-N 284.359 3.526 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)o1 796148821 SHMSUHHVEOKYOD-UHFFFAOYSA-N 295.216 3.527 30 20 CHED C=CCC(C)(C)C(=O)O[C@H](C)c1cc(C)c(C(=O)OC)o1 796454962 JCKKRZDHYAHNHM-LLVKDONJSA-N 294.347 3.581 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 796474327 PWBTZYNWSOPEMX-FZMZJTMJSA-N 280.389 3.507 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@H](F)CC2CCCCC2)n1 796617365 BTQRUSZEGPWCGL-CHWSQXEVSA-N 294.395 3.936 30 20 CHED Cc1ccc2c(C(=O)OCC(C)(C)C#N)csc2c1 796827777 QTJMSURRDYEIAI-UHFFFAOYSA-N 273.357 3.916 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCc1ccsc1 798554564 RKFJQLFAJUYGBE-CYBMUJFWSA-N 251.395 3.542 30 20 CHED CC(C)(CO)CNN=C1CCC[C@@H]1c1ccccc1Cl 799117179 QKICGAQYCHNXJB-CYBMUJFWSA-N 294.826 3.572 30 20 CHED Cc1cc(OC(C)C)ccc1N[C@@H]1CC[C@H](C#N)C1 799721047 QVHYPCYUSYJWNA-UONOGXRCSA-N 258.365 3.886 30 20 CHED C#CCC1(C(=O)NC[C@@H]2CCCC(F)(F)C2)CCCCC1 800045450 KXGLWCBAEKHTOF-CQSZACIVSA-N 297.389 3.902 30 20 CHED CC#CC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 801161726 GBPZPLQQOMFQNO-UHFFFAOYSA-N 272.373 3.556 30 20 CHED C[C@@H](C#N)OCCN[C@H](c1ccc(Cl)cc1)C1CCC1 801937072 CYAUWJWVVSXORT-LRDDRELGSA-N 292.810 3.699 30 20 CHED C[C@H](C#N)OCCNC(C)(C)c1ccc(C(C)(C)C)cc1 801938084 YIWGBXQOWMSVTB-CQSZACIVSA-N 288.435 3.737 30 20 CHED Oc1ccc(Cl)cc1/C=N/[C@@H](C1CC1)C(F)(F)F 806550479 CSXPQWWAJWYYSS-HMVWTOQKSA-N 277.673 3.805 30 20 CHED CCSc1cccc(/C=C/C(=O)c2cc(C)on2)c1 806555443 DFNGDAMQFJMPIJ-BQYQJAHWSA-N 273.357 3.991 30 20 CHED Cc1cc(C(=O)/C=C\c2sccc2Cl)no1 806556220 QEBMAIPORHQNFX-IHWYPQMZSA-N 253.710 3.594 30 20 CHED C#Cc1ccc(CNC[C@H](C)c2cccc(F)c2)cc1 809612147 WBESPNGMTVYZOX-AWEZNQCLSA-N 267.347 3.700 30 20 CHED C#C[C@@H](NCc1csc(-c2ccc(C)cc2)n1)C(C)C 809685254 JMXAAZJEVUEKAM-MRXNPFEDSA-N 284.428 3.866 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1COc2ccccc21 810765625 ACMXSXJATPXTRB-MRXNPFEDSA-N 287.403 3.805 30 20 CHED C=CCCCCOC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C 811012916 BVAPCXVZULEAJH-STQMWFEESA-N 266.381 3.527 30 20 CHED CCCNN=C([C@@H](C)OCc1ccccc1)C(F)(F)F 811637817 MLIIAEXYOFCVDP-LLVKDONJSA-N 288.313 3.510 30 20 CHED Fc1ccc(/C=C/C=NOC/C=C\Cl)c(F)c1 811672349 WZLHCAFCLVTATL-WWZUBPOHSA-N 257.667 3.733 30 20 CHED C#CC[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 811824429 WVSBADJHUSQCAA-INIZCTEOSA-N 291.310 3.643 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@@H](C2CC2)C1 811927061 IXEVAPZFBWPOPK-MRXNPFEDSA-N 278.440 3.955 30 20 CHED Fc1ccc(NN=C2CC[C@@H]2C2CCC2)c(F)c1 814686212 WXIRZFGWENHQCR-LLVKDONJSA-N 250.292 3.943 30 20 CHED CO[C@@](C)(C=NNc1cccc2c1CCCC2)C1CC1 814811356 BIFXOFSYLVBTCG-KRWDZBQOSA-N 272.392 3.778 30 20 CHED Cc1sccc1C=NNc1cccc([N+](=O)[O-])c1C 814834263 WYYMQBQQECSHNZ-UHFFFAOYSA-N 275.333 3.719 30 20 CHED CCC[C@@H](C)c1noc(-c2cc(C#N)cc(N(C)C)c2)n1 815671420 FQMCJMSBQKORSI-LLVKDONJSA-N 284.363 3.578 30 20 CHED Cc1cc(C#N)cnc1C(=O)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 815920538 KIRVDXZSIAWGFL-HRCADAONSA-N 298.386 3.777 30 20 CHED C=C(C)C(C)(C)C(=O)OCCCCc1nccs1 821029912 TVCWHUTXJQRETH-UHFFFAOYSA-N 267.394 3.611 30 20 CHED CC(C)(CC#N)CNC(=O)c1ccc(Cl)c2occc12 822399216 OCFGBTSADQLUAA-UHFFFAOYSA-N 290.750 3.756 30 20 CHED Cc1nc(-c2cccc(NC(=O)C#CC(C)C)c2)oc1C 822902123 QGXHOLRTTGFCRW-UHFFFAOYSA-N 282.343 3.556 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc([C@@H](C)O)cc1 823702042 KIIJFZWQPUUWFZ-HUUCEWRRSA-N 261.409 3.964 30 20 CHED C=C(C)CCNC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 824751356 UMJFEGZFKGZHPY-LSDHHAIUSA-N 296.455 3.578 30 20 CHED CCCCCCCNc1ccc(CNC(=O)O)cc1 829356672 GLMASJYCOBRNBN-UHFFFAOYSA-N 264.369 3.837 30 20 CHED C#Cc1cccc(N(CC)C(=O)OC2CCCC2)c1 830383717 NOGJVAMHBSAZOZ-UHFFFAOYSA-N 257.333 3.573 30 20 CHED N#Cc1cc(Cl)ccc1SCc1ccoc1C(=O)O 833068664 IOJXINGMJIZCRX-UHFFFAOYSA-N 293.731 3.795 30 20 CHED FC(F)C1CC(=NNc2cc(C(F)(F)F)ccn2)C1 834984361 UXKGROPGUYGINP-UHFFFAOYSA-N 279.212 3.543 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NN[C@@H](C)C(F)(F)F 834997308 BLDJNXWOXHDHPF-KXUCPTDWSA-N 250.308 3.729 30 20 CHED CCN(CC)C(=O)Nc1ccc(C(C)=NOC(C)C)cc1 835004247 KBEVXHXGPSEUHH-UHFFFAOYSA-N 291.395 3.709 30 20 CHED C=CCCC(CC)=NNc1cccc(C(=O)OC)c1F 835019258 SOUQIZAKFIKJMO-UHFFFAOYSA-N 278.327 3.756 30 20 CHED C=CCC1(C(=O)Oc2ccc(CCOC)cc2)CCCC1 835053993 KPTHCMXUUSBABP-UHFFFAOYSA-N 288.387 3.917 30 20 CHED C=CC[C@H](OC(=O)CSC(F)F)c1ccccc1 835322703 IWWPFRFRGDDTIK-NSHDSACASA-N 272.316 3.803 30 20 CHED C=CCONC(=O)Nc1ccc(SC(C)(C)C)cc1 836364758 WXCAUTVZZOASFS-UHFFFAOYSA-N 280.393 3.816 30 20 CHED CCOc1ccc(C=NOCc2ccccc2OC)cc1 836494641 UGDKEQDNDOXQGE-UHFFFAOYSA-N 285.343 3.645 30 20 CHED C[C@]1(CCNC(=O)CCCCCC#N)CC1(Cl)Cl 836908789 MGLNQXRYSZRIDJ-LBPRGKRZSA-N 291.222 3.551 30 20 CHED N#CCCCCCC(=O)N1CCCCCCCC1 836922058 SDBWRAFNJSAQFB-UHFFFAOYSA-N 250.386 3.643 30 20 CHED CC(C)Oc1cccc([C@@H](C)NC(=O)C#CC(C)(C)C)c1 837345654 NWJHPNJAWFTYRM-CQSZACIVSA-N 287.403 3.701 30 20 CHED O=C(C#CC1CC1)N[C@@H](c1ccccc1)C1CCCCC1 837347525 WNSHFEJHXRCQLW-IBGZPJMESA-N 281.399 3.838 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H](C)SCc1ccccc1 839033709 HQOQUGYFKGRQRU-KBPBESRZSA-N 276.401 3.653 30 20 CHED CCOc1ccc(/C=N/C[C@@H]2CCCC2(F)F)c(O)c1 840708625 HTJSCELGNVDFEX-BEAUZRKQSA-N 283.318 3.645 30 20 CHED C=C(Cl)CSc1n[nH]c(/C=C\c2ccccc2)n1 842135606 RNRFBMKRIXUNBM-FPLPWBNLSA-N 277.780 3.820 30 20 CHED C=CCOc1ccc(CC(=O)OC[C@H](C)CC(F)F)cc1 842440030 HWOUSMUUELXMJH-GFCCVEGCSA-N 298.329 3.628 30 20 CHED CC(C)Cn1nccc1/C=C\C(=O)c1ccc(F)cc1F 843268799 KWUUHUBRYMKKIK-XQRVVYSFSA-N 290.313 3.713 30 20 CHED C[C@H]1CC[C@H](C(=O)OCc2ccc(CC#N)cc2)CC1 844468611 XISQTXRIYXIDNF-SAZUREKKSA-N 271.360 3.622 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1cnc2n1[C@@H](C)CCC2 845528101 ZBZJCPLLSNDYKG-LRDDRELGSA-N 276.380 3.540 30 20 CHED CC1(C)C[C@H](O)c2cc(-c3ccc(O)c(C#N)c3)ccc2O1 846782519 QRSAUPQZYKDHMC-INIZCTEOSA-N 295.338 3.525 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ccc(CC(=O)O)cc1 848413744 CVVGTLWHOYKXJQ-GFCCVEGCSA-N 276.380 3.928 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OC/C(Cl)=C\Cl 848798519 RQBGHACSYSKTKA-JLATVTFTSA-N 298.169 3.599 30 20 CHED CC[C@H](COC(=O)c1ccccc1CC#N)CC(F)F 849670689 XTRUBBKYASDOQV-NSHDSACASA-N 281.302 3.591 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@]1(C)CCc2ccccc21 851204762 CXOXXWZTQVEEBP-FZKQIMNGSA-N 285.387 3.762 30 20 CHED COC1(C(C)=NNc2ccc(OC(F)F)cc2)CCC1 853299305 NFPHGGHWNASDKA-UHFFFAOYSA-N 284.306 3.645 30 20 CHED CC(=NOC1CCCC1)c1cncc(Br)c1 853327719 BEQBIJSSTBMPRS-UHFFFAOYSA-N 283.169 3.527 30 20 CHED C[C@@H]1CCCCN1N=Cc1c[nH]c2cccc(F)c12 853379455 JQIZTVRJGWBEHA-LLVKDONJSA-N 259.328 3.515 30 20 CHED C=C[C@@H](C)OC(=O)/C=C/c1ccc(SC)s1 860682227 UCNHGSCYEUYLPT-VPIOIWJLSA-N 254.376 3.601 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccc(Cl)cn1 860683822 MGCUUWNEXVPPBG-JTQLQIEISA-N 280.755 3.669 30 20 CHED C#CCCCCNC(=O)Nc1ccc(OC)c2ccccc12 861514840 LDNVKJMPBBNSGC-UHFFFAOYSA-N 296.370 3.773 30 20 CHED C#CC[C@H](CCOC)NC(=O)CC(C)(C)C1CCCCC1 863781880 REOXEUYWRHNKED-MRXNPFEDSA-N 293.451 3.528 30 20 CHED CC(C)C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 864095600 RUGGFHKMMKDCNI-UHFFFAOYSA-N 275.230 3.667 30 20 CHED Clc1ccccc1-c1ccc(C=Nn2cnnc2)s1 873829339 PBCSUTXDRIIIAA-UHFFFAOYSA-N 288.763 3.542 30 20 CHED N#Cc1cc(NC(=O)/C=C/C2CCCC2)c(F)cc1F 876348833 RQPYWPVUZRKCKW-AATRIKPKSA-N 276.286 3.521 30 20 CHED Cc1sc(CN(C)[C@H](C)CC#N)cc1Br 876691063 ZDSPKQCFLDEODX-MRVPVSSYSA-N 287.226 3.553 30 20 CHED C=CC(C)(C)CC(=O)NCCc1c[nH]c2cc(C)ccc12 878579765 WFEJVQHQZCTVNM-UHFFFAOYSA-N 284.403 3.737 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC[C@H](CF)C3)c2c1 882803360 MXUTXZLPOQXGMJ-CYBMUJFWSA-N 283.350 3.601 30 20 CHED C=CC1(OC(=O)CCCc2ncc(-c3ccccc3)o2)CC1 893365398 LDELJJGSAJZUEQ-UHFFFAOYSA-N 297.354 3.926 30 20 CHED Cc1cc(CNc2ccc(OC(C)C)c(C#N)c2)cnc1F 893432850 CBXIJCWYVUBFTE-UHFFFAOYSA-N 299.349 3.800 30 20 CHED N#C[C@@H]1CCCN(Cc2cnc(-c3cccs3)s2)C1 896503263 MCQBRWRUZCBCHS-NSHDSACASA-N 289.429 3.607 30 20 CHED C=C1CC(c2noc(CC[C@@H]3CC3(Cl)Cl)n2)C1 896874398 MQDFIRNYXGPHSF-SECBINFHSA-N 273.163 3.630 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCOc1cccc(F)c1 898443687 BFWWPXSOLSKHFW-ZDUSSCGKSA-N 278.371 3.513 30 20 CHED C=C1CCC(C(=O)N2CCC3(CCSCC3)CC2)CC1 899158276 RAUIXJDRWJBDHM-UHFFFAOYSA-N 293.476 3.869 30 20 CHED C[C@@H]1OCC[C@@H]1SCCCCC1(C#N)CCC1 901526660 CTXSNVUEKYISMJ-STQMWFEESA-N 253.411 3.761 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(C(C)=O)c(Cl)c1 906246904 XQOPCQYYHRVHKG-UHFFFAOYSA-N 293.750 3.778 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccc2c(c1)CCO2 917518822 BGPWXNWIIKTBJT-GQCTYLIASA-N 294.350 3.835 30 20 CHED Cc1ccc2c(C=NNCc3ccc(F)c(F)c3)c[nH]c2c1 917545625 VKQQYPJKOKKCAI-UHFFFAOYSA-N 299.324 3.878 30 20 CHED COc1cc(/C=C2/Cc3c(F)cccc3C2=O)cc(OC)c1 921263207 AAJUQJUFOPXCAA-SDQBBNPISA-N 298.313 3.665 30 20 CHED CC(C)(C)CN(CCCO)CCCCC1(C#N)CCC1 929593352 PJBKIDXXIDISGZ-UHFFFAOYSA-N 280.456 3.581 30 20 CHED CCCCCCCC(=O)NN1[C@@H](C)CCC[C@H]1C 935611818 ATLAEZPUYYXSRE-OKILXGFUSA-N 254.418 3.641 30 20 CHED N#Cc1ccc(OCCCSCc2cccnc2)cc1 1117496500 MPBXUUMGHPKYIB-UHFFFAOYSA-N 284.384 3.656 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@H]1CCCc2sccc21 1127869165 UOGVVFVGACQOHX-HNNXBMFYSA-N 296.395 3.736 30 20 CHED CCC[C@@]1(C)CCCN(c2cc(C)ncc2C#N)C1 1162631861 VMBJRUWDTHLMJX-INIZCTEOSA-N 257.381 3.668 30 20 CHED CCCCc1cc(N[C@@H]2CCc3cc(C#N)ccc32)ncn1 1186336139 WAKJYBQAQRRIQG-QGZVFWFLSA-N 292.386 3.790 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@H]2CCCC[C@H]2C1 1253249123 VQMZEPYDEQUDKG-ZBFHGGJFSA-N 297.402 3.911 30 20 CHED Cc1coc(C(=O)OCc2ccc(C#N)cc2Cl)c1C 1257519745 FQDMWJRGCIHLFJ-UHFFFAOYSA-N 289.718 3.779 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)O[C@H](CC#N)c1ccco1 1263661106 ZQVUAIRJOXFEBI-YRGRVCCFSA-N 261.321 3.604 30 20 CHED C=C[C@H](C(=O)N(C)[C@H]1CC[C@H](SC)C1)c1ccccc1 1263751458 BIRBTKBCIYGRHC-JYJNAYRXSA-N 289.444 3.699 30 20 CHED C=C(Cl)CNC(=O)Cc1coc2c(C)c(Cl)ccc12 1293721167 XWUMHHZPCAQFNP-UHFFFAOYSA-N 298.169 3.806 30 20 CHED Cn1c(CNc2ccc(CC#N)cc2)cc2ccccc21 1308215267 KOLNFXRWRQZDCS-UHFFFAOYSA-N 275.355 3.856 30 20 CHED CC[C@H](NC(=O)Nc1sccc1C#N)C1CCCC1 1310956356 IKMPTZFWSYIBJY-LBPRGKRZSA-N 277.393 3.710 30 20 CHED COc1cc(/C=C/C(=O)C2CCCCC2)ccc1F 1319571805 KJEUOXRYTJRANN-CSKARUKUSA-N 262.324 3.997 30 20 CHED C#C[C@H](NCc1ncccc1C)c1ccc(Cl)cc1 1324207735 KOYVBWLOTMJDRD-HNNXBMFYSA-N 270.763 3.508 30 20 CHED C#CC[C@H](NCc1cccn1C1CC1)c1ccccc1 1324660573 QBPXXEYMPHKBQE-SFHVURJKSA-N 264.372 3.677 30 20 CHED C#CCCOc1ccc(-c2nnc(C3CCCC3)o2)cc1 1326985978 IZOBTZOCNUBREW-UHFFFAOYSA-N 282.343 3.796 30 20 CHED CC(C)CCCCc1nnc(-c2cccc(C#N)c2)o1 1327865250 MSHDAFFNFUFSLH-UHFFFAOYSA-N 269.348 3.977 30 20 CHED CC(C)(C)C#CC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 1348037162 BRYQWGRVMKTYSH-PXNSSMCTSA-N 295.426 3.964 30 20 CHED Cc1cccc2c1[C@H](OC(=O)c1csc(C#N)c1)CCO2 1348218422 RLSQQIGHDYFPRG-CQSZACIVSA-N 299.351 3.609 30 20 CHED C=CCN(C(=O)c1ccc(F)c2cccnc12)C(C)(C)C 1349741441 NXDYIDFOFFLNAB-UHFFFAOYSA-N 286.350 3.801 30 20 CHED C=C(CC)C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 1521126827 SEFNIGJTFAGXTC-NHYWBVRUSA-N 261.340 3.701 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cccc(C#N)c1 1528904517 XJKKIDSFRJBBGP-OLMNPRSZSA-N 298.430 3.996 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccsc1C#N 1584834949 YDIVAXZMHRGXPS-NWDGAFQWSA-N 276.405 3.564 30 20 CHED C=CCN(Cc1ccc(C(=O)O)cc1)c1ccccc1 1588464263 LJGUGROMFULJEY-UHFFFAOYSA-N 267.328 3.577 30 20 CHED CC(CSC(C)(C)C)=NNc1cccc(C(=O)O)c1F 1592822236 ILOPSAOMIXDZIY-UHFFFAOYSA-N 298.383 3.843 30 20 CHED CC1(C)CCCC1=NNc1cccc(C(=O)O)c1F 1593897168 JUSHUKGEMIDFDB-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CCCC1(C(=O)Nc2cc(C)cc(C#N)c2)CCC1 1597275222 JZOGXWBMGYDRBQ-UHFFFAOYSA-N 256.349 3.776 30 20 CHED CC(C)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cn1 1617264254 XZCSQKMCKDPEGB-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](N=c2cc[nH]c(C#N)c2)CC1 1655379864 NYZIVGVBFHMDEW-ZIAGYGMSSA-N 271.408 3.782 30 20 CHED N#Cc1ncccc1SC/C=C\c1ccccc1 1656553379 LZVDOYMGVKWFIU-YVMONPNESA-N 252.342 3.759 30 20 CHED CCC(CC)(CNC[C@H](C)CCC#N)C(=O)OC(C)(C)C 1660085332 SRWUIDGGUJOUKQ-CQSZACIVSA-N 296.455 3.664 30 20 CHED CC[C@H](NN=C1CCC(C2CCCCC2)CC1)C(=O)O 1776066029 MOUGYPIUHUHTJZ-WUJWULDRSA-N 280.412 3.566 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc(C(=O)O)c(F)c1 1776074664 MUZGWIBWTPRQTI-LLVKDONJSA-N 278.327 3.748 30 20 CHED C=CC[C@]1(C(=O)O)CCCN([C@@H](C)c2ccccc2F)C1 1776154201 YTHLDMZQJBQIIC-GUYCJALGSA-N 291.366 3.630 30 20 CHED CCCc1ccc(/C=C\c2nc(C(=O)O)ccc2C#N)cc1 1776833139 HZRLJTABRUPOMM-NTMALXAHSA-N 292.338 3.774 30 20 CHED CC[C@@H](NC(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)cc1 45405365 BISCNDWGKSYYBJ-SMDDNHRTSA-N 293.798 3.592 30 20 CHED Cc1cccc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 49373201 DYJYBHXQCPOVHR-BBRMVZONSA-N 290.432 3.530 30 20 CHED N#Cc1ccc(OCCCSc2ccc(O)cc2)cc1 49493933 VDMIDNPBVPDJGL-UHFFFAOYSA-N 285.368 3.825 30 20 CHED Cc1cc(CNc2ccccc2S[C@@H](C)CC#N)no1 66861151 FUBALTLFEBROQP-LBPRGKRZSA-N 287.388 3.989 30 20 CHED C=C(C)CN(CC)C(=O)/C=C(/C)c1ccc(F)cc1 67033583 JPVDIOOKVYAIMP-RAXLEYEMSA-N 261.340 3.654 30 20 CHED C=CCCO[C@H](C)C(=O)NC1(c2ccccc2)CCCC1 70955627 LUUFDKCSWHNGHY-OAHLLOKOSA-N 287.403 3.553 30 20 CHED CC[C@@H]1CN(C(=O)C(C)(C)C#N)CC[C@@H]1c1ccccc1 74285151 WWHMTCCBCAZOQO-ZBFHGGJFSA-N 284.403 3.578 30 20 CHED CCc1ccc(CN(C(=O)C2(C#N)CCCC2)C2CC2)cc1 78265535 QQPRPVHLGXNJMB-UHFFFAOYSA-N 296.414 3.824 30 20 CHED C[C@@H](CC#N)N(C)C(=O)C1CCC(c2ccccc2)CC1 80027955 KWUJOVZWGVENTD-OOHWJJMZSA-N 284.403 3.721 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@H](c1ccccc1)C1CCCC1 80073604 GJTPYJDPTAEONK-WMLDXEAASA-N 299.418 3.719 30 20 CHED N#CCCN(Cc1ncc(-c2ccc(F)cc2)o1)CC1CC1 81044463 FNVBPQZRCRITOA-UHFFFAOYSA-N 299.349 3.606 30 20 CHED CC(C)CCO[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 83246913 UUUMFRQTWQNCLI-MAUKXSAKSA-N 286.419 3.756 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 84697650 AZCKNRFGTOBQPU-JSGCOSHPSA-N 289.375 3.597 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc(F)cc1F 84862691 MPWKOBATYGLYBR-UHFFFAOYSA-N 266.335 3.727 30 20 CHED N#Cc1cccc(OCCCN2CCC[C@@H]3CCC[C@@H]32)c1 87771025 KYFYBRBHPXSASZ-WMZOPIPTSA-N 284.403 3.592 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)c1cccc(-c2ccoc2)c1 89661257 HFYDKLHMIVUVGM-QGZVFWFLSA-N 282.343 3.615 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](c1cccc(Cl)c1)C(C)C 92005124 ALOFCJNPLBLXCY-GJZGRUSLSA-N 292.810 3.888 30 20 CHED N#CCCCCN1CCC(Cc2cccc(F)c2)CC1 102397545 OVKJXQCIOQIZIM-UHFFFAOYSA-N 274.383 3.774 30 20 CHED CCCCCCCNC(=O)[C@@H](C)Oc1ccccc1 105416239 MWXFFYGICHHRDI-CQSZACIVSA-N 263.381 3.541 30 20 CHED C=CC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 110362209 XMEFOSMJYYEVTR-UHFFFAOYSA-N 283.293 3.744 30 20 CHED C=CC1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 110968236 MAQCCYIKVTZSRY-UHFFFAOYSA-N 288.778 3.860 30 20 CHED C#CC[C@H](OC(=O)c1cc2c(s1)CCC2)c1ccccn1 113661792 SGXRRRDNRWAQGA-AWEZNQCLSA-N 297.379 3.553 30 20 CHED CCCCCCCCCc1nc(C(C)(C)NC(C)=O)no1 113758620 FRZNSTLJOFJVCU-UHFFFAOYSA-N 295.427 3.734 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C#N)cc1 115135296 GXBLGOVHCOZPGN-KBXCAEBGSA-N 290.366 3.576 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 115984026 YYXNSCJJGBXWEF-KGLIPLIRSA-N 297.304 3.688 30 20 CHED C=CCN(CC=C)C(=O)C[C@H](C)c1cccc(F)c1 115986068 WBUZOQQJSJINAF-ZDUSSCGKSA-N 261.340 3.520 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)c(OC(F)F)c1 117007671 ROKHUUICGQSWGQ-SNVBAGLBSA-N 284.306 3.683 30 20 CHED C#Cc1cccc(NC(=O)N2CCCC[C@H]2C(C)C)c1 119811158 LQMUIYQSNSEEOH-INIZCTEOSA-N 270.376 3.710 30 20 CHED CSc1ccc(C(=O)/C=C/c2ccnn2C)c(Cl)c1 122228491 CKUBUOWVOBNGOW-ZZXKWVIFSA-N 292.791 3.692 30 20 CHED CSc1ccc(C(=O)/C=C/c2csnn2)c(Cl)c1 122230583 MSMPXQVUSIWLQC-GORDUTHDSA-N 296.804 3.810 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccc2ccccc2c1 122282986 YEGUEYGFXZPENC-DYVFJYSZSA-N 294.398 3.998 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F 123839254 UMUAANUGOKMZEE-BXUZGUMPSA-N 292.329 3.535 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CC[C@@H](C)C1 126171402 DFRUVAGGIQKLLA-HZPDHXFCSA-N 296.414 3.899 30 20 CHED CC[C@H](C#N)Sc1nnc(-c2ccc(Cl)s2)o1 127755517 ZKQFKHKASMKGLD-ZCFIWIBFSA-N 285.781 3.846 30 20 CHED C=CC1CCN(C(=O)CCc2cc(C)cc(C)c2)CC1 131884834 FLGIWYNHNRMWMO-UHFFFAOYSA-N 271.404 3.661 30 20 CHED C=C[C@H](CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1)c1ccccc1 135022292 PNIAYRQOFCCCBT-FCEWJHQRSA-N 296.414 3.935 30 20 CHED C=CCN(Cc1nccs1)CC1CCCCC1 135072177 VLZQZDZFHNMLIA-UHFFFAOYSA-N 250.411 3.711 30 20 CHED C=C(C)CN(C)C(=O)c1cc(Cl)c2ccccc2n1 135288924 DZALSMVZMMYLCL-UHFFFAOYSA-N 274.751 3.536 30 20 CHED C=C[C@H](CC(=O)Nc1c(C)nn(CC)c1C)c1ccccc1 136116928 OFGCJHZOVUIQNF-OAHLLOKOSA-N 297.402 3.818 30 20 CHED C=CCN(C)C(=O)C1(c2ccc(Cl)cc2)CCCC1 152878617 GXUJVRZDEVIWFR-UHFFFAOYSA-N 277.795 3.796 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)Cc2ccccc2)CC1 153015034 CLDULWDHFNTPBX-SFHVURJKSA-N 286.463 3.638 30 20 CHED CCCCCCCCCC(=O)N[C@H](C)c1noc(C)n1 153334953 SPSVJXRILVECMM-GFCCVEGCSA-N 281.400 3.696 30 20 CHED Clc1cccc(C#CCN2CCC[C@@H]2c2ccncc2)c1 153870849 MPWDSNBNTNIOLK-GOSISDBHSA-N 296.801 3.924 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)Oc1ccc(C#N)cc1 155700887 ZVMGTMAZIWTRPY-INIZCTEOSA-N 287.359 3.592 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(Cl)nc1C 156744612 ZGLALJKRGVBGKG-UHFFFAOYSA-N 293.798 3.636 30 20 CHED C=C(C)CNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 157317429 AMTNTRAWYHMDAO-UHFFFAOYSA-N 292.427 3.633 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)N[C@@H](C)CC#N)ccc21 159125865 QXEQSBFJAJRYEM-ZDUSSCGKSA-N 298.390 3.721 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1Cl)C1CC1 162889145 PAAQBJHVMDFQCB-UHFFFAOYSA-N 262.784 3.832 30 20 CHED COc1ccc2c(c1)CN(CCC#N)[C@H](c1ccccc1)C2 164941665 ZQKCWDYMUGKWMD-IBGZPJMESA-N 292.382 3.708 30 20 CHED CC(C)(C#N)CNC(=O)Nc1ccc(Cl)c(Cl)c1 167024404 HYUQTJNNCBBELX-UHFFFAOYSA-N 286.162 3.665 30 20 CHED C=C(Br)CNCc1ccc(C2CC2)cc1 168210207 LQFPASURXGSMTC-UHFFFAOYSA-N 266.182 3.562 30 20 CHED Cc1cc(C)cc(C[C@H](C)NC(=O)C2(C#N)CCCCC2)c1 172755647 CXJAHXHMFGUJPV-INIZCTEOSA-N 298.430 3.825 30 20 CHED C#CCCCNC(=O)N(Cc1cccc(Cl)c1)C(C)C 173319286 ZIIWUURJCATKMP-UHFFFAOYSA-N 292.810 3.673 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(C#N)s2)c1 176402612 FNBWYAPSGBFKFS-BQYQJAHWSA-N 253.326 3.824 30 20 CHED C[C@@H](CC(=O)N[C@H](C#N)C1CCCCC1)c1ccccc1 176570300 LREWJRWQHJMFGA-WMLDXEAASA-N 284.403 3.769 30 20 CHED C[C@@H](C(=O)N1CCC(C#N)CC1)c1ccc2ccccc2c1 177627932 ADIUYRKBPNAHMB-CQSZACIVSA-N 292.382 3.705 30 20 CHED C=C[C@H](CC(=O)N[C@@H](C)c1cccc(O)c1)c1ccccc1 179355279 MFRILZNPTGOSKT-LSDHHAIUSA-N 295.382 3.929 30 20 CHED C=CCCC[C@H](C)NC(=O)NC(C)(C)c1ncc(C)s1 181122196 LRROCFJBGSPCEJ-NSHDSACASA-N 295.452 3.731 30 20 CHED CC(=O)Nc1cccc(N[C@H](C)c2cccc(C#N)c2)c1C 182567220 JLONDWRZPXGPLZ-CYBMUJFWSA-N 293.370 3.998 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1cccs1 182588647 FGZAFRNSCNALET-LBPRGKRZSA-N 251.395 3.542 30 20 CHED Cc1ccc(-c2ccc(CNC[C@@H](C)C#N)o2)cc1 183828150 BLVZODSHWYVAGE-ZDUSSCGKSA-N 254.333 3.504 30 20 CHED CC[C@H](C)N(C(=O)Cc1ccc(C#N)cc1)[C@@H](C)CC 184952278 WAENNFDHAMALHK-KBPBESRZSA-N 272.392 3.526 30 20 CHED CC#CCCCC(=O)NCCc1csc2ccccc12 185197341 WVLJGDZRKUNXPV-UHFFFAOYSA-N 285.412 3.754 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C/c1ccc(C)o1 187526369 AJZDBUSYUDJBJK-MDZDMXLPSA-N 274.364 3.532 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 188417271 VHONWYQJKAXSGP-GOSISDBHSA-N 295.386 3.993 30 20 CHED C[C@H]1CCC[C@H](NC(=O)C2(C#N)CCCCC2)CC1 188829604 DANKCZRTWVPZAY-KBPBESRZSA-N 262.397 3.545 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc2c(c1)O[C@](C)(CC)O2 190477559 NWWXYGWKYKNLFJ-MEDUHNTESA-N 290.363 3.670 30 20 CHED C[C@H](SCCOCC1CC1)c1cccc(C#N)c1 190802829 QQUXHRCAVCIUJU-LBPRGKRZSA-N 261.390 3.779 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1c(F)cccc1F 194587983 SDLHLMDFHFRKOW-CMDGGOBGSA-N 269.250 3.733 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccc2cc[nH]c2c1 194871038 AWJVQCTVDZJPBK-UHFFFAOYSA-N 292.338 3.985 30 20 CHED CCS[C@H]1CCC[C@H]1Nc1ccc(C#N)cc1F 226127169 AYOWJMUCTQUVFP-KGLIPLIRSA-N 264.369 3.783 30 20 CHED C=CCCOCCNc1ccc([N+](=O)[O-])cc1C(F)F 231836826 CEINGDUPLRUHRB-UHFFFAOYSA-N 286.278 3.537 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccccc1C(F)(F)F 233356645 JCFIADXWGIZBOU-SNVBAGLBSA-N 284.281 3.629 30 20 CHED C=C[C@H](C)NCc1ccc(OCCCC)c(OCC)c1 236639467 KMWSAWBMVAKVJR-AWEZNQCLSA-N 277.408 3.928 30 20 CHED COc1ccc2ccccc2c1CNCCCCC#N 237324509 ZXSCFQXVVATVFJ-UHFFFAOYSA-N 268.360 3.632 30 20 CHED COc1cc(C=NOCCCSC)ccc1OC(C)C 254942548 NMAZBIOYVCTELI-UHFFFAOYSA-N 297.420 3.586 30 20 CHED CCOc1ccc(/C=C\c2ccc(C#N)cn2)cc1 255182891 YOUJULKYIQFTHL-CLTKARDFSA-N 250.301 3.522 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C\C(=O)c2ccncc2)cc1 255571908 GYEMSHBXBQZBCO-SREVYHEPSA-N 289.338 3.676 30 20 CHED COc1cc(C(=O)/C=C\c2ccccc2C)c(OC)cc1O 255642146 ZUYFBVVPOFZEFH-HJWRWDBZSA-N 298.338 3.614 30 20 CHED O=C(/C=C\c1cc(F)c(F)cc1F)c1cncc(F)c1 255880851 QCWKBXUGNWASEF-UPHRSURJSA-N 281.208 3.534 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/Cc2nccs2)cc1 261973084 DWPCCEZFQZJIFA-NSHDSACASA-N 288.420 3.583 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(c2ncccc2C#N)C1 266274180 RSUUYTDBXDNTNU-MLGOLLRUSA-N 281.334 3.680 30 20 CHED C#CCCN1CCC[C@H]1c1nc2ccccc2n1C(C)C 270540250 RBXAASDBYCJOFV-KRWDZBQOSA-N 281.403 3.777 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 271666122 FNAHCDLZSLYYQU-CHWSQXEVSA-N 272.392 3.577 30 20 CHED Cc1cc(C)cc([C@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 271759226 AKWOPQRSWYDFHD-DNVCBOLYSA-N 294.398 3.559 30 20 CHED Cc1ccncc1[C@H](C)NC1(c2cccc(C#N)c2)CC1 272204262 JPXTYDIYBPUEOQ-AWEZNQCLSA-N 277.371 3.602 30 20 CHED C=CC[C@H](C)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 272883046 NTHMWTZQLDCQMQ-BQFCYCMXSA-N 272.436 3.594 30 20 CHED N#Cc1csc(-c2nc([C@@H]3CCCCS3)no2)c1 273967414 KBEAVKYTCAOVFF-VIFPVBQESA-N 277.374 3.628 30 20 CHED C=C(C)[C@H](N[C@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1 274803248 OYFLSDBQRFLBTH-FFSVYQOJSA-N 281.346 3.739 30 20 CHED C=CCC[C@H](NC1CCN(C2CC2)CC1)c1ccco1 276421263 HLTVTPUKSXSVMU-INIZCTEOSA-N 274.408 3.503 30 20 CHED C=CCC[C@@H](c1ccccc1)N1C(=O)[C@@H](C)N(C2CC2)C1=O 277139242 BVWYNAIADUVYBN-CJNGLKHVSA-N 298.386 3.509 30 20 CHED Cc1ccc(NC(=O)CC(C)(C)C#N)c(Br)c1 278231246 KJSLJUUMQTZPGM-UHFFFAOYSA-N 295.180 3.636 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1c[nH]nc1C1CC1 279845060 FPYCJKUBOOQDAA-UHFFFAOYSA-N 295.386 3.506 30 20 CHED Cc1ccc(F)c2c1N(C(=O)c1cc(C#N)oc1C)CCC2 281054216 XSAJSXPXADHWOV-UHFFFAOYSA-N 298.317 3.500 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@H](NCCCCC#N)C1 281206853 KPDHVRLHHWXQBI-CVEARBPZSA-N 271.408 3.700 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N(C)C1CCCC1 283030000 QGEJMZWAKXYCMC-UHFFFAOYSA-N 299.418 3.763 30 20 CHED C[C@H]1CCCN1c1c(C#N)cnc2c(F)c(F)c(F)cc12 288175126 BEROOTAFWKICBC-QMMMGPOBSA-N 291.276 3.512 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc3nc(C)sc3c2)no1 288971925 HWUNNAMXFHGGIV-OAHLLOKOSA-N 298.371 3.846 30 20 CHED C#Cc1ccccc1Cc1nc([C@@H]2CCC(F)(F)C2)no1 289707444 HLKYMLNVERTCPP-CYBMUJFWSA-N 288.297 3.545 30 20 CHED N#Cc1c(Cl)cccc1N1CCC2(CCOCC2)CC1 296714962 GWHZSSAUWBCZOJ-UHFFFAOYSA-N 290.794 3.609 30 20 CHED C=CC(C)(C)C(=O)N1C[C@@H]2CCCCN2c2ccccc21 297673353 GCWMMCGXFTZBJM-AWEZNQCLSA-N 284.403 3.604 30 20 CHED CC[C@H](Nc1cccc(F)c1C#N)c1ccncc1 301410297 XPXMQBYXZOXVMH-AWEZNQCLSA-N 255.296 3.656 30 20 CHED CCO[C@@H](CCNc1cccc(F)c1C#N)C(C)C 301427113 HUSRHVAZYDGSOE-HNNXBMFYSA-N 264.344 3.560 30 20 CHED Cc1ccc(NCc2cc(C#N)ccc2F)c([N+](=O)[O-])c1 301454453 BKKNYCWHWOROOH-UHFFFAOYSA-N 285.278 3.526 30 20 CHED N#Cc1ccc(NCCc2c[nH]c3ccc(Cl)cc23)cn1 301513109 BESNYQWCQCYAQR-UHFFFAOYSA-N 296.761 3.743 30 20 CHED CCC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1 301845833 TWQATWALUQIUHN-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED CC[C@H](Nc1ccc(C#N)nn1)c1cccc(Cl)c1 302007564 USDKXGUIGNBWDM-ZDUSSCGKSA-N 272.739 3.565 30 20 CHED N#Cc1ccc(NC(=O)CCC2CCCCC2)cc1F 308072119 BUKIKXZGIIMYDD-UHFFFAOYSA-N 274.339 3.996 30 20 CHED CC1(CN/C(O)=N/CCC2CCOCC2)CCCCCC1 329190448 CMGRQHIHJRQQNS-UHFFFAOYSA-N 296.455 3.667 30 20 CHED CC(C)C[C@@H]1C[C@H](/N=C(/O)[C@@H]2CCC(=O)C[C@H]2C)CCO1 329225254 GCHXNVJMFAPUJE-RRCSTGOVSA-N 295.423 3.542 30 20 CHED CC1(C)CCC(/N=C(/O)N[C@H]2CCOC3(CCC3)C2)CC1 330272570 XSOHOMFNTRXBRK-AWEZNQCLSA-N 294.439 3.561 30 20 CHED CC1(C)CCC[C@@H](C(=O)N(CCC#N)Cc2ccccn2)C1 330442211 DZEUADPZAGPVRT-OAHLLOKOSA-N 299.418 3.540 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 331395793 BWPTXXVPASJDAY-KFWWJZLASA-N 291.439 3.536 30 20 CHED C[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccc(C#N)cc1 331747030 ZIRUAZMXBAMBJH-IAOVAPTHSA-N 297.402 3.593 30 20 CHED Cc1ccncc1CN1CC=C(c2ccc(C#N)cc2)CC1 334964338 OAMHEWDVAYPHFV-UHFFFAOYSA-N 289.382 3.551 30 20 CHED Cc1ccc(F)c(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 335804137 SHLYTYFXWYCULJ-GFCCVEGCSA-N 282.318 3.748 30 20 CHED C=CCSCCNC(=O)N[C@@H](CC)c1ccc(C)cc1 338277457 PICONTREZBQZBA-HNNXBMFYSA-N 292.448 3.665 30 20 CHED CC(C)N(Cc1cccnc1)Cc1cccc(C#N)c1F 340946964 HXEGCVWRRHIGAX-UHFFFAOYSA-N 283.350 3.503 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 341505146 AAOHTRABRDZEHR-LALPHHSUSA-N 288.778 3.623 30 20 CHED N#Cc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1 341735866 KWOPELHQTKXDQI-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=CCN(CCc1ccco1)c1ncnc2ccsc12 342940210 GYEVTAJTYGRVJP-UHFFFAOYSA-N 285.372 3.519 30 20 CHED Cc1ccc([C@H]2CCCCCN2CC2(C#N)CC2)o1 343322990 SBPXSYUTJPFTQG-CQSZACIVSA-N 258.365 3.809 30 20 CHED C=CCC[C@H](N[C@H]1CCOc2ccc(OC)cc21)C1CC1 344122200 XZPYHMVJPQHCSU-IRXDYDNUSA-N 287.403 3.853 30 20 CHED Cc1ccc(CC(=O)NCC(C)(C)CCC#N)c(Cl)c1 345895720 ZCDCUJBQZPXVLC-UHFFFAOYSA-N 292.810 3.637 30 20 CHED CC(C)(CCC#N)CNC(=O)CCc1ccccc1Cl 345905732 LNZWRVMUZROGFS-UHFFFAOYSA-N 292.810 3.719 30 20 CHED Cc1cc(CN(CCC#N)CC2CC2)cc2cccnc12 346149759 XQQRGCZPEMAQQZ-UHFFFAOYSA-N 279.387 3.669 30 20 CHED C[C@@H](C#N)C(=O)Nc1ccc(COCc2ccccc2)cc1 346380336 MPLHWUNMIGOEAN-AWEZNQCLSA-N 294.354 3.502 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CCC1CCCC1 346929910 HTPYURMOFLKBPJ-UHFFFAOYSA-N 285.391 3.899 30 20 CHED COc1cc(C#N)ccc1CNc1ccc(C#N)cc1Cl 347095345 LMQYJIHJZJUTLN-UHFFFAOYSA-N 297.745 3.704 30 20 CHED CC(C)(C(=O)Nc1sc2c(c1C#N)CCCC2)C(F)F 347976695 YUODGSVGRFKGLX-UHFFFAOYSA-N 298.358 3.728 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCCC2(CCC2)C1 348171946 WRNINURSMFXHEL-CQSZACIVSA-N 254.377 3.885 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCc2c(F)cccc21 348221908 WKDVHGKSHLNLIN-HNNXBMFYSA-N 260.356 3.733 30 20 CHED CN(Cc1cccc(C#N)c1F)[C@H]1CCc2ccccc21 352865625 CXUZHONYAQKHPC-KRWDZBQOSA-N 280.346 3.817 30 20 CHED C=CCN(C(=O)c1cc(Oc2ccccc2)ccn1)C1CC1 357498730 WHDRNGWRDINOHZ-UHFFFAOYSA-N 294.354 3.665 30 20 CHED CC[C@H](C)CC(=O)Nc1ccc(OC(C)C)c(C#N)c1 358180280 JJKYHPYLYHPJCY-LBPRGKRZSA-N 274.364 3.720 30 20 CHED C=CCCC1(C(=O)Nc2ccc(C(C)=O)c(C)c2)CC1 359904497 SVYRRSCDTZKAIN-UHFFFAOYSA-N 271.360 3.883 30 20 CHED C[C@H](Nc1nc2ccccn2c1C#N)c1c(F)cccc1F 360144796 QOHMKHLCUPWPEP-JTQLQIEISA-N 298.296 3.657 30 20 CHED CCc1cnccc1[C@H](C)NCCCC(C)(C)C#N 361118283 AVRLVWBZNMJEIB-ZDUSSCGKSA-N 259.397 3.625 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccnc(Oc2ccccc2)c1 362680788 VZPXVNVGSRPDBN-GFCCVEGCSA-N 283.331 3.570 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)s1)c1ccccc1 362900529 KJCIUVPLVUELEH-CQSZACIVSA-N 284.384 3.891 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccccc3)C2)C1 367183099 BLVILGABFVUREI-MWQQHZPXSA-N 254.377 3.605 30 20 CHED N#CCC1(CN[C@H]2CC3(CCC3)Oc3ccccc32)CC1 369708085 ZBEVILZDMRJABX-HNNXBMFYSA-N 282.387 3.716 30 20 CHED CCOC1CC(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 377133148 ZNGQNRJDHODWQD-JDGDGYACSA-N 298.430 3.573 30 20 CHED N#CCCCCN1CCC[C@H]1Cc1ccc(F)cc1 377513315 SRWUBPUMNMOBNO-INIZCTEOSA-N 260.356 3.526 30 20 CHED N#Cc1ccc(N[C@H](CO)C2CCCCC2)cc1Cl 386261749 MVMWWJPHTZPQIB-OAHLLOKOSA-N 278.783 3.565 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)[C@@H]2CCC[C@@H]21 399240621 UBBYFIYOLYDWMV-DLBZAZTESA-N 268.404 3.763 30 20 CHED N#CCC(=O)NCC1(C2CCCCC2)CCCCC1 408318171 COCMZFHPIFHYTJ-UHFFFAOYSA-N 262.397 3.547 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(F)c2ccccc12 410833395 GRXBSAQPHKKENZ-LBPRGKRZSA-N 284.334 3.743 30 20 CHED C=CCCCN1CC2(CCOCC2)[C@@H]1c1ccccc1 411996984 HQGIZRURUYAXCC-KRWDZBQOSA-N 271.404 3.806 30 20 CHED CSCCCSCCCC1(C#N)CCOCC1 413011276 VIFSMKGOCSMUEJ-UHFFFAOYSA-N 273.467 3.573 30 20 CHED N#Cc1cnc(N2CCC(Cc3ccccc3)CC2)c(F)c1 413026720 VUXKPEYBYCFJIU-UHFFFAOYSA-N 295.361 3.551 30 20 CHED CCc1cc2c(NCC(C)(C)CC#N)ncnc2s1 413414022 UWIYENIVHFMKKE-UHFFFAOYSA-N 274.393 3.605 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC2(CCCC2)C1 413832928 JMAMFSCPQIZFSF-KRWDZBQOSA-N 298.430 3.759 30 20 CHED COC[C@H](NCC(C)(C)CC#N)c1ccc(Cl)cc1 414159897 CCYRPFOACHZCOY-AWEZNQCLSA-N 280.799 3.557 30 20 CHED C=CCC[C@@H]1NC(=O)N([C@@H](C)c2ccc(C3CC3)cc2)C1=O 420084959 WRFSIJJDRWFLEA-LRDDRELGSA-N 298.386 3.512 30 20 CHED CCOCc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 421324546 INUBSNAKEUUOMG-UHFFFAOYSA-N 298.361 3.524 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCCC1(O)CCC1 421859644 QZHYDICSVCYHHN-GOSISDBHSA-N 298.430 3.611 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N(CCC#N)CC1CC1 424652466 WNITXIKSQUHBNR-QGZVFWFLSA-N 298.430 3.716 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(NCC(F)(F)F)c1 425277788 FIHXDGPAZPUCQQ-UHFFFAOYSA-N 299.296 3.539 30 20 CHED C=C(C)[C@H](NC[C@H](OC)C1CC1)c1ccc(F)c(F)c1 425436080 VCBGRMRATQXCOB-HOTGVXAUSA-N 281.346 3.597 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OC(F)F 425694030 VAHGSVQUSDBFCY-SSDOTTSWSA-N 290.697 3.637 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnn(-c2ccc(F)cc2)c1 426550189 WEXKOHNWWDCJKR-MRXNPFEDSA-N 285.366 3.552 30 20 CHED CC(C)(C)c1ccc(CCC(=O)NCC2(CC#N)CC2)cc1 431184856 WSATUZAVBOYLIF-UHFFFAOYSA-N 298.430 3.727 30 20 CHED C=CCC(C)(C)CNC(=O)N1Cc2ccc(C)cc2C1 432564042 YTDZPEDHSCUYRR-UHFFFAOYSA-N 272.392 3.623 30 20 CHED C=C(C)CN(CC)C(=O)CNc1c(Cl)ccc(F)c1C 432710894 YRISOJGMYPRHBR-UHFFFAOYSA-N 298.789 3.624 30 20 CHED COc1cc(OCc2cc(C)sc2C)ccc1C#N 435801989 XELLDHNZPQJLMK-UHFFFAOYSA-N 273.357 3.824 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)oc2C)c2ncccc2c1 436148711 PVOSFMGOLKVAFX-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccccc1OCC 436296910 WALMOPZGFBDQIR-DAYGRLMNSA-N 289.419 3.717 30 20 CHED C=C(C)CN(CC)Cc1ccc2nc(C)ccc2c1 437595012 XOQFWJPKNSEWDB-UHFFFAOYSA-N 254.377 3.941 30 20 CHED C=CCCC[C@H](C)N[C@H]1Cc2[nH]c3ccccc3c2C1 442834524 DNWYIKPBQOCLIA-UONOGXRCSA-N 268.404 3.970 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2c2cccs2)c1[N+](=O)[O-] 450220012 GKDGHNOXPXSSMD-GFCCVEGCSA-N 299.355 3.869 30 20 CHED C=CC(C)(C)CNC(=O)CSCc1ccc(C)cc1 452774163 CZIIUGPYDHUPFN-UHFFFAOYSA-N 277.433 3.557 30 20 CHED Cc1ccc2oc(-c3noc([C@@]4(C#N)C[C@H]4C)n3)cc2c1 453163669 ITOLKPPXVXGNTQ-QLJPJBMISA-N 279.299 3.592 30 20 CHED C=CCCc1noc([C@H]2CCOc3ccc(Cl)cc32)n1 453239047 RJLLENXNHBKBMT-NSHDSACASA-N 290.750 3.756 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](c1ccccc1)C(F)F 455621997 LHONWNKLLJLPPH-LBPRGKRZSA-N 282.334 3.504 30 20 CHED C=C(CC)CNC(=O)c1cc(C)cc(C)c1Br 456809908 CVXFBDLBSZTXCR-UHFFFAOYSA-N 296.208 3.762 30 20 CHED CC[C@@H](C)CN(CC)C(=O)[C@@H](C)c1cccc(C#N)c1 462191877 UZHWEGQUEFTGEX-KGLIPLIRSA-N 272.392 3.556 30 20 CHED CC[C@@H](C(=O)N[C@@H](C#N)C(C)C)C1CCC(C)CC1 463840775 BALDKNZYXAMVCX-CVSAEHQPSA-N 264.413 3.503 30 20 CHED CC#CCCCC(=O)N(CCC)CC1CCCCC1 464649099 UOTIKJNUUVWTEV-UHFFFAOYSA-N 263.425 3.999 30 20 CHED C=C[C@@H](C)NC(=O)CCCOc1cccc2ccccc12 465105631 ZPYASESTDRODQK-CQSZACIVSA-N 283.371 3.690 30 20 CHED C=CC[C@H](CC)NC1CCN([C@@H]2CCCC[C@@H]2C)CC1 467404094 JFHAKKSGGFXKPY-XYJFISCASA-N 278.484 3.974 30 20 CHED CC(C)(C)c1nc(O)cc(/C=C/c2cccc(C#N)c2)n1 470256047 UDJPVHBERIPOQX-BQYQJAHWSA-N 279.343 3.522 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 474570598 QLACPXREBMTNSI-HZPDHXFCSA-N 286.419 3.767 30 20 CHED C=C(C)CN(C)Cc1c(C(=O)OC)sc2ccccc12 481319376 OEWKMTSBAFHYJY-UHFFFAOYSA-N 289.400 3.696 30 20 CHED C=C(C)[C@H](CC(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C)OCC 482681888 JPKBOBMTZIKBSW-VGWMRTNUSA-N 281.440 3.546 30 20 CHED C=C1CCN(C(=O)CCOc2ccc3ccccc3c2)CC1 486129409 XWDGUEXDJBHTBB-UHFFFAOYSA-N 295.382 3.787 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1(Cc2ccccc2F)CC1 488838456 MFKBPHFEIPHCMJ-OAHLLOKOSA-N 287.378 3.716 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)c1cc(C)n(C2CC2)c1C 489439090 YAZGFBYABPOTJN-OAHLLOKOSA-N 286.419 3.663 30 20 CHED C=CC[C@H](C(=O)Nc1cccnc1C)c1ccccc1 489696695 KHUISVNMYZGMPS-HNNXBMFYSA-N 266.344 3.688 30 20 CHED C=CCCC[C@@H](C)NC(=O)/C=C\SCc1ccco1 492369899 WSXDAPATSOLTNJ-PRWOLLLXSA-N 279.405 3.888 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1sccc1C#N 497979238 BQQWPIZYZOAHGS-QWHCGFSZSA-N 290.432 3.954 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCCCC 499299724 JHJGKJGXFGJJNM-UHFFFAOYSA-N 259.393 3.824 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 506435260 YVSFVMCPWNEAQR-AWEZNQCLSA-N 279.424 3.587 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC(CC)CC1 508843034 ASQWYLSZQWOBGM-CYBMUJFWSA-N 276.428 3.604 30 20 CHED C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CC=C 508855092 GAXBJRNJYGSBJU-MRXNPFEDSA-N 296.418 3.628 30 20 CHED C=C(C)CN(CCC1CCCC1)Cc1ccc(CO)o1 512203102 NLEUTNILGRGAEI-UHFFFAOYSA-N 277.408 3.730 30 20 CHED C=CCOc1cccc(CN[C@@H]2CCCC[C@H]2C)c1 518248863 XLTIQQAXSQLKFX-RHSMWYFYSA-N 259.393 3.920 30 20 CHED Cc1cc(OC(C)C)ccc1Nc1nnc(C)c(C)c1C#N 518993608 RMZVMWYSDJUADX-UHFFFAOYSA-N 296.374 3.804 30 20 CHED CC(C)CN(CCOC(C)(C)C)Cc1ccc(C#N)cc1 520173872 FVSJBFHESQHIOH-UHFFFAOYSA-N 288.435 3.831 30 20 CHED CCN(C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1)[C@H](C)c1ccc(C#N)cc1 528160682 UHSPCCRJNDZEET-COCCGSRQSA-N 296.414 3.760 30 20 CHED CCCC1(C(=O)Nc2ccc(COC)c(C#N)c2)CCC1 529816864 ROICFMBQOINDJP-UHFFFAOYSA-N 286.375 3.614 30 20 CHED C=C[C@H](CC(=O)N1CCC(F)(F)C[C@@H]1C)c1ccccc1 530011715 NCNRPHAYFIPHTB-UONOGXRCSA-N 293.357 3.993 30 20 CHED C=CCN(CC#Cc1ccc(OC(F)(F)F)cc1)CC=C 533323825 MYQLJKFPEOEICU-UHFFFAOYSA-N 295.304 3.611 30 20 CHED C=CCc1cc(CN(C)[C@H](C)C(C)(C)C)cc(OC)c1O 535085019 BCZQPZMNKDZXAM-CYBMUJFWSA-N 291.435 3.996 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc2nc[nH]c2c1 535823669 KWLVBQSXMRYPMZ-UHFFFAOYSA-N 291.398 3.794 30 20 CHED C=CCCOCCCCC(=O)NC1CCCCCC1 537323418 ZLBBEKNGXGYVPZ-UHFFFAOYSA-N 267.413 3.588 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H]1CCC(C)(C)C1 538286387 ORMGDMFLLTZRDG-OLZOCXBDSA-N 252.402 3.609 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)C[C@@H](C)C1 538369527 QGSWLKROEUCZCI-KFWWJZLASA-N 266.429 3.809 30 20 CHED N#Cc1cc(C(=O)N(C2CCCC2)C2CC2)ccc1Cl 539369851 PXFXMGWXLHPQPD-UHFFFAOYSA-N 288.778 3.759 30 20 CHED C[C@H](NC[C@H]1CC=CCC1)c1ccc(C#N)c(F)c1 539610282 TXVOHRNFFHZCGI-STQMWFEESA-N 258.340 3.704 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 541777786 MJKKCWHYABWDIK-FZMZJTMJSA-N 290.794 3.910 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 545876046 VXGMQBSRTWXFBY-IHRRRGAJSA-N 290.382 3.726 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)Cc1cccc(C#N)c1 546866005 PUIYUUWLXDQOEQ-HNNXBMFYSA-N 292.382 3.595 30 20 CHED CC(C)[C@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 547726098 FVRHGMCCTXWQON-ZDUSSCGKSA-N 290.794 3.720 30 20 CHED CC(C)(C#N)CCN1CCN(C2CC2)c2cc(F)ccc21 547846749 ZCQFQQGHJMCYBK-UHFFFAOYSA-N 287.382 3.554 30 20 CHED C=CCOc1ccc(CNCc2cccc(F)c2F)cc1 552016739 QCPRILUXIMRVST-UHFFFAOYSA-N 289.325 3.819 30 20 CHED N#CCC[C@@H](C#N)CNCc1cc(Cl)sc1Cl 552351008 KSAIBHIKQFJSJM-QMMMGPOBSA-N 288.203 3.588 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(OC3CCCC3)cc2)C1 556605713 FQAVAFOXXFFEQH-JKSUJKDBSA-N 284.403 3.790 30 20 CHED C=CCC[C@H](NC[C@@H]1CCO[C@@H]1C(=C)C)c1ccco1 556880817 VHKBJRBUQDFNEE-YQQAZPJKSA-N 275.392 3.858 30 20 CHED N#Cc1ccnc(N2CCC(CCc3ccccc3)CC2)c1 559591934 BMEBPEGWIJXACD-UHFFFAOYSA-N 291.398 3.802 30 20 CHED C=CCC(F)(F)c1nc(-c2cc(C)cc(F)c2)no1 562839676 UEDGOONYEPVJED-UHFFFAOYSA-N 268.238 3.852 30 20 CHED C=C(C)CN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 563840521 FGZLALAVZKQTFV-CQSZACIVSA-N 275.783 3.929 30 20 CHED N#Cc1ccc(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)O)s1 564350683 NYGTUCVNIHUCDH-YOEHRIQHSA-N 295.363 3.575 30 20 CHED CSCC[C@H](C)N(C)C(=O)Nc1scc(C)c1C#N 566745601 DCNXKVBFWWBDBI-JTQLQIEISA-N 297.449 3.534 30 20 CHED COC1(CCSc2ccc(C#N)c(C)c2)CCC1 571443967 CSBQCOAHGHWXHN-UHFFFAOYSA-N 261.390 3.918 30 20 CHED CC1(C)CCCN(Cc2cnc(C3CC3)s2)[C@H]1C#N 572103515 BFXCLMXKVLKOMU-ZDUSSCGKSA-N 275.421 3.535 30 20 CHED CCC(CC)(CNCCC#N)c1ccc(Cl)cc1 575862039 RCMJGBVICKKRDV-UHFFFAOYSA-N 264.800 3.901 30 20 CHED Cc1cc(SCC[C@H]2CCCC2=O)ccc1C#N 580444856 XKTPABCCECDEON-GFCCVEGCSA-N 259.374 3.718 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NCC#Cc1ccc(F)cc1 581038459 KCAHBUMEYCEOIB-ZIAGYGMSSA-N 259.368 3.592 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CCc2sc(Cl)cc21 583116626 RFODSXSNWADISN-PSASIEDQSA-N 284.812 3.653 30 20 CHED N#CCCCCCC(=O)N1CCOc2c(Cl)cccc21 588945246 QNUUWGSDRMHBCT-UHFFFAOYSA-N 292.766 3.539 30 20 CHED N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCCC(F)(F)C1)CC2 589344175 DUZGUCNMBVZTFE-CZUORRHYSA-N 290.357 3.961 30 20 CHED COCC1(CCN[C@H]2CCCc3cc(C#N)ccc32)CCC1 590259535 FRXCDSLOYKMRIV-SFHVURJKSA-N 298.430 3.732 30 20 CHED C[C@H](NC1CCC(C)(C#N)CC1)c1cccc(C#N)c1 590646904 YFCTVXYAKYJOOI-IGEOTXOUSA-N 267.376 3.681 30 20 CHED C[C@@]1(C(=O)NCc2ccc(C#N)c(Cl)c2)CC=CCC1 590759551 WQEQIPUCGCUHEC-MRXNPFEDSA-N 288.778 3.574 30 20 CHED C=CCN(CC1=CCCC1)Cc1cccc(C#N)c1 592064352 CMROGQUAGGZIIZ-UHFFFAOYSA-N 252.361 3.657 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2ccc(C(F)F)cc2F)C1 594339001 JNMZCLLMCRWTIB-HNNXBMFYSA-N 296.292 3.529 30 20 CHED Cc1cccc(CNCCc2ccc(C#N)cc2)c1C 594954190 DWQMAPNLDCWLIV-UHFFFAOYSA-N 264.372 3.507 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCCC[C@@H]2C2CC2)cc1 595057915 YLRXXLHHTJVSSO-QZTJIDSGSA-N 268.404 3.659 30 20 CHED CCN(CC[C@@H]1CCc2ccccc21)C[C@@H](C)C#N 595305821 RKCKCEUIXIERDI-HOCLYGCPSA-N 256.393 3.588 30 20 CHED CC(C)(C#N)CCCN1CCC([C@H]2CCCCO2)CC1 595790505 WGTHZNXWRIBNBI-MRXNPFEDSA-N 278.440 3.597 30 20 CHED CC(C)N(Cc1ccc(C#N)cn1)c1cccc(F)c1 595824655 LPPDXHGGSCWBIP-UHFFFAOYSA-N 269.323 3.507 30 20 CHED Cc1cccc([C@H]2CCN(c3nc(C#N)ccc3C)C2)c1 596192131 FMIDJWZOTLAMLC-INIZCTEOSA-N 277.371 3.564 30 20 CHED C[C@H]1N(C(=O)NCCCCC#N)c2ccccc2C1(C)C 596264797 DHTLOMJIXXLZDI-CYBMUJFWSA-N 285.391 3.576 30 20 CHED N#CC1(CNc2ccc(C(F)F)cc2[N+](=O)[O-])CCC1 596278772 ROMJZUYAIXPYKJ-UHFFFAOYSA-N 281.262 3.638 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@]23CCC[C@@H]2C3)n1 596315672 FBUMIDXCNGWIPN-WBMJQRKESA-N 255.365 3.605 30 20 CHED Cc1ccc(CNC(=O)CC2(C#N)CCCCC2)c(C)c1 596741642 OHDWEGLGEAGKNM-UHFFFAOYSA-N 284.403 3.784 30 20 CHED Cc1[nH]c2c(C(=O)N3CCC[C@H](CC#N)C3)cccc2c1C 597914627 HKXIWSOQRCKFNV-CQSZACIVSA-N 295.386 3.551 30 20 CHED CC[C@H](NC[C@H](C#N)CCC#N)c1cc(C)ccc1C 599639818 CPOBRQMRKUPETI-RDJZCZTQSA-N 269.392 3.788 30 20 CHED CO[C@](C)(CNc1cccc(OCCCC#N)c1)C1CC1 602482417 BTFXPLHGRPRDTF-QGZVFWFLSA-N 288.391 3.596 30 20 CHED C[C@H](CCC#N)CN[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 602536638 VSRLOBGPTOJDSP-XOKHGSTOSA-N 290.382 3.575 30 20 CHED CC(C)N(Cc1cccc(C#N)n1)[C@@H](C)c1ccsc1 602696700 FKDWPLWDQAODDH-ZDUSSCGKSA-N 285.416 3.986 30 20 CHED C[C@@]1(NCC2(CC#N)CC2)CCCc2ccccc21 602792011 LVCBRVSTCZYWFH-MRXNPFEDSA-N 254.377 3.522 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)[nH]c1C 603574991 LAMRKEONJXDCQX-UHFFFAOYSA-N 295.386 3.556 30 20 CHED C=CCCCS[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 609804748 DWKRVQZJXMSPKE-MGPQQGTHSA-N 269.454 3.769 30 20 CHED C[C@H](NC(=O)[C@H](C)C#N)c1ccccc1Oc1ccccc1 609920729 FCCPRMWOWKRHOI-KGLIPLIRSA-N 294.354 3.816 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 610549521 PNDJHBQLADAGOW-JTQLQIEISA-N 276.767 3.976 30 20 CHED C[C@@]1(C#N)CCCN(CCOc2ccc3ccccc3c2)C1 612167175 VJZDDACCNYIYLB-IBGZPJMESA-N 294.398 3.844 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2cnccc2C)CCCC1(C)C 614055914 QHBASXGCAMTGMN-INIZCTEOSA-N 286.419 3.526 30 20 CHED Cc1ccccc1-c1noc(CSCCCC#N)n1 616296250 ISOMAWTXVCQRDH-UHFFFAOYSA-N 273.361 3.582 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(O)cc1Cl 616940828 GPBWAYNJCNZWFV-ZDUSSCGKSA-N 253.729 3.586 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(OC)c2)C1 617782091 YKDLWTUOROISCJ-GFCCVEGCSA-N 293.794 3.777 30 20 CHED COc1ccc([C@@H]2CCCN2C[C@@H](C)CCC#N)cc1 618887020 FNTJRYHGWNSLCN-YOEHRIQHSA-N 272.392 3.772 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)Cc1ccccc1F 620859240 YVQWLTGJCZJZER-ZDUSSCGKSA-N 277.383 3.865 30 20 CHED C=CCN(C(=O)c1ccccc1OC1CC1)C(C)(C)C 622945362 AZPGPDWPHVYYHJ-UHFFFAOYSA-N 273.376 3.655 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc(Cl)c(F)c1 623365291 OKFTZVOERLHDCX-UHFFFAOYSA-N 281.758 3.612 30 20 CHED C=CCOCCN[C@H](C)c1ccc(F)cc1C(F)(F)F 623957608 OFGLUEIHVIEFDK-SNVBAGLBSA-N 291.288 3.698 30 20 CHED C=C(C)COCCNC(=O)c1cc(-c2ccccc2)oc1C 626125262 IQKVJVRGDWPUFI-UHFFFAOYSA-N 299.370 3.578 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccccc2C)C1 628062281 BCEVTTZITNODKL-IAGOWNOFSA-N 285.431 3.988 30 20 CHED C=C(C)CCN[C@@H](c1ccc(OC)cc1)c1ccccn1 652204401 QGKMTIVTDBNIFT-SFHVURJKSA-N 282.387 3.735 30 20 CHED C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc2ccncc2s1 658038052 KXZCHTHXUZYOAL-UBHSHLNASA-N 288.416 3.538 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cn2)C1 664333050 JFCRMQCWRCHZEN-NSHDSACASA-N 279.771 3.555 30 20 CHED C=CCCNC(=O)N(Cc1cccc(F)c1)C1CCCC1 665946561 PNCAGLOFUWFTHX-UHFFFAOYSA-N 290.382 3.856 30 20 CHED COCC#CCSc1nc(C)c(C)n1C1CCCCC1 677132182 YLGOAHDETQJVMN-UHFFFAOYSA-N 292.448 3.747 30 20 CHED CC#CCCCC(=O)N1CCc2ccccc2[C@@H]1C(C)C 680999370 BUWGKGHMYBTSCF-IBGZPJMESA-N 283.415 3.962 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2Cl)C1(C)C 690293095 JBFBPIIUBNRCKG-UHFFFAOYSA-N 262.784 3.832 30 20 CHED C#C[C@H](CCC)NC(=O)CCSc1ccccc1Cl 700627174 ILYPBRGYMVAOBM-GFCCVEGCSA-N 295.835 3.740 30 20 CHED C=CC[C@H](CC)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 724044154 XCGCSQDSVYAMIS-QLFBSQMISA-N 296.455 3.624 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1cccs1 727258439 JVMSWBGRAOCESW-UHFFFAOYSA-N 268.345 3.527 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1/N=C\c1ccc(O)c(O)c1O 727781497 OOQWBAMKXVRBRO-QHQWKTPNSA-N 291.391 3.827 30 20 CHED CC[C@H](Cc1ccccc1)/N=C\c1cc(OC)ccc1O 727781849 YMMCVFRKIRHCIJ-YZYPPFLQSA-N 283.371 3.841 30 20 CHED N#Cc1cc(F)ccc1CSc1ncnc2ccccc12 728441575 MIMNISPBLQJRBV-UHFFFAOYSA-N 295.342 3.933 30 20 CHED C[C@H]1CCCC1=NNc1ccc(Cl)cc1[N+](=O)[O-] 729142768 ZNFDFXGBRYVGJO-QMMMGPOBSA-N 267.716 3.836 30 20 CHED CC(C)(C)CCCCNC(=O)/C=C/c1ccccc1C#N 729388861 QZYCHRAQEVXWOS-ZHACJKMWSA-N 284.403 3.904 30 20 CHED CCCCC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 730416610 FEYDPJMTSJFVQK-SNVBAGLBSA-N 276.336 3.802 30 20 CHED C[C@@H](OC(=O)c1ccc2[nH]ccc2c1)c1cccc(C#N)c1 730923782 CMIHRSSUQQDUJZ-GFCCVEGCSA-N 290.322 3.958 30 20 CHED CCC1CCC(N(C)Cc2ccc(OCC#N)cc2)CC1 731211976 LVFFEIJKAIWDKI-UHFFFAOYSA-N 286.419 3.990 30 20 CHED C=CC1CCN(Cn2c(=S)n(C)c3ccccc32)CC1 732181368 SBLBYASAWPBZPO-UHFFFAOYSA-N 287.432 3.565 30 20 CHED C#Cc1cccc(NC(=S)NN=C(C)C2CCCC2)c1 733076729 WMVVBDGRQNLJQB-UHFFFAOYSA-N 285.416 3.520 30 20 CHED C[C@H]1CC(=NNC2CCCC2)CCN1Cc1ccccc1 734299212 KJQWQJYPLSVULP-HNNXBMFYSA-N 285.435 3.559 30 20 CHED C[C@H](NN=Cc1occc1Br)c1ccccc1 735229843 SNCFSNFGTDJBQC-JTQLQIEISA-N 293.164 3.727 30 20 CHED C=CCCCOC(=O)/C=C/c1ccc(Cl)s1 735526114 VCIOURRBRFSHOK-SOFGYWHQSA-N 256.754 3.924 30 20 CHED CCC(COC)=NN[C@H](C)c1ccc(C(C)C)cc1 735972010 HVBZZWHYPFTREX-CYBMUJFWSA-N 262.397 3.873 30 20 CHED C=C(Cl)CNC(=O)[C@H](CCC)CC1CCCC1 736243304 ZPSABBHYNPFMMW-CYBMUJFWSA-N 257.805 3.852 30 20 CHED C=CCCOC(=O)c1c(C)nc2ccccc2c1C 740194645 SACQXZDDTLJJLM-UHFFFAOYSA-N 255.317 3.585 30 20 CHED C#Cc1ccc(C(=O)OCCCc2ccc(Cl)cc2)nc1 740958816 JALFHGMDQAGHGH-UHFFFAOYSA-N 299.757 3.506 30 20 CHED CCc1c(C)sc(NC(=O)[C@H](C)c2ccco2)c1C#N 741554381 HWVXEOJUOZRQEE-SECBINFHSA-N 288.372 3.826 30 20 CHED Cc1nc(SCc2ccc(C#N)cc2)sc1C 741855570 QBTZBPJCTGHZSA-UHFFFAOYSA-N 260.387 3.924 30 20 CHED CCOc1ccc(/C=C2/Oc3ccccc3C2=O)cc1 742437901 XHGLFGWJFCEQEM-LFIBNONCSA-N 266.296 3.702 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H](C)c1ccc(C)o1 744026798 XKURVPJQHIOYAW-GFCCVEGCSA-N 299.326 3.568 30 20 CHED C[C@@H](CCc1ccccc1F)C(=O)OCCCCC#N 744140670 LESCZOCFBJXMOS-ZDUSSCGKSA-N 277.339 3.631 30 20 CHED Fc1ccc(NN=C2CCCc3cc(F)ccc32)nc1 747631266 GSHZPRHEBKCUHU-UHFFFAOYSA-N 273.286 3.512 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ccc(C(=O)O)cc1 747736302 OGUYOUDVCLIWKZ-CYBMUJFWSA-N 260.337 3.609 30 20 CHED CC(C)CON=Cc1ccc(OCC(F)(F)F)cc1 749632442 YEHPIKUSZMIIID-UHFFFAOYSA-N 275.270 3.634 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2sccc2C)c1C 750914270 VBENMXMKPGBXEI-SREVYHEPSA-N 274.389 3.786 30 20 CHED CC(C)C(=NNC(=S)Nc1ccccc1F)C1CC1 750918166 FIVUHFJRPFSYOC-UHFFFAOYSA-N 279.384 3.534 30 20 CHED C=CCCC(CC)=NNC(=S)Nc1ccc(OC)cc1 750919250 YMIGPYYPEYBXJG-UHFFFAOYSA-N 291.420 3.714 30 20 CHED COC(=O)c1cc(/C=C2\C[C@H](C)c3ccccc3C2=O)c[nH]1 751537513 XMRAHEBOLOEERO-ZWSXMNCCSA-N 295.338 3.575 30 20 CHED C[C@@H]1CCCC[C@H]1CN1CCO[C@H](c2cccc(C#N)c2)C1 753548107 CFGSCQAESMCVGH-MNEFBYGVSA-N 298.430 3.758 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@H](C(C)(C)C)C2)cc1 753589530 IUVQCSNMPYSMIM-HOCLYGCPSA-N 286.419 3.845 30 20 CHED C#CCOCCN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C 753761621 NYKDYYGQLKJWCA-OAHLLOKOSA-N 299.336 3.642 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccc(F)cc1 755472465 UFGLRMDANMCRDL-UHFFFAOYSA-N 288.370 3.840 30 20 CHED COc1cccc(NN=Cc2c(C)cccc2C)c1 755608340 KSEIVQHSBKTEKR-UHFFFAOYSA-N 254.333 3.758 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1cccc(Cl)c1)C(C)C 755860741 SPBLXFNCTUSONY-ZDUSSCGKSA-N 279.811 3.942 30 20 CHED CC(=NNc1cc(C)ccn1)c1ccc2ccccc2n1 755905778 JTSWZEQGTBMVIP-UHFFFAOYSA-N 276.343 3.774 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1ccc(F)c(F)c1)OCC 756475025 AAOYUHNHOXXOIV-ABAIWWIYSA-N 298.329 3.940 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)CCC=C(C)C 756901682 WCEOUYQIDZJPTH-UHFFFAOYSA-N 290.363 3.928 30 20 CHED C#CC[C@H](NCc1cccc(F)c1)c1ccccc1 756995877 LCWATEXAUZZFHP-KRWDZBQOSA-N 253.320 3.680 30 20 CHED C=C[C@@H](C)NC(=O)Nc1ccc2nc(SC)sc2c1 757183744 BAQJPVSICZYXNB-MRVPVSSYSA-N 293.417 3.714 30 20 CHED CC[C@@H]1CCCC(=NNc2nc(O)c3ccccc3n2)C1 757584493 YCVBMTVZVFQOHJ-LLVKDONJSA-N 284.363 3.704 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2CCC[C@@H]2C)cc1C#N 757876844 RGGZJJQZPACENL-SMDDNHRTSA-N 287.363 3.727 30 20 CHED C#CCCCC(=O)N1CCCCCc2ccccc21 758481794 JZDUXRJKXCTBAK-UHFFFAOYSA-N 255.361 3.550 30 20 CHED C[C@H]1CN(Cc2ccc(F)c(C#N)c2)Cc2ccccc21 758686726 IOFNSYNSGJNJIP-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)N(CCC#N)C(C)C 758949628 STPNFFGKNLRHPO-RAXLEYEMSA-N 290.794 3.894 30 20 CHED Cc1cc(C=NN[C@H](C)c2ccccc2)cnc1Cl 760253781 MEACPLVODKSTHQ-GFCCVEGCSA-N 273.767 3.728 30 20 CHED Cc1ccc(C=NNc2nc(-c3ccccc3)cs2)nc1 761803473 BXEOFYUBLGDVBO-UHFFFAOYSA-N 294.383 3.960 30 20 CHED CC(=NNc1ncnc2ccsc12)c1ccccc1F 764840329 GNJRBRNLIZSMAW-UHFFFAOYSA-N 286.335 3.667 30 20 CHED Cc1cc(OC(=O)C2(Cc3ccccc3)CC2)ccc1C#N 765114318 XBTGOXKGSHQUSB-UHFFFAOYSA-N 291.350 3.795 30 20 CHED Cc1ccc2c(CCC(=O)O[C@H](C#N)C(C)(C)C)c[nH]c2c1 765630414 WGXOKVXRCXMEAG-MRXNPFEDSA-N 298.386 3.890 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 767098363 MLMYFXVOWZZZMY-JTQLQIEISA-N 266.287 3.619 30 20 CHED CC#CCCCC(=O)Oc1ccc(Br)c(C)c1 767100285 QQZGLADHZNFUDW-UHFFFAOYSA-N 295.176 3.857 30 20 CHED C=CCOCCCC(=O)O[C@H](C)c1ccccc1C 768187995 IYQSQKLAGPYUJI-CQSZACIVSA-N 262.349 3.582 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)nc1 768330003 KFJKAYGDJADCIS-QGZVFWFLSA-N 296.414 3.638 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccccc1F 768538969 IWBHCMHJINKRLB-UHFFFAOYSA-N 263.312 3.703 30 20 CHED Cc1cccc(C2(C(=O)Oc3ccc(C#N)cc3F)CC2)c1 769738774 PULFCHRXYKULEW-UHFFFAOYSA-N 295.313 3.643 30 20 CHED C=CCCCCNC(=O)/C=C\c1ccc2ccccc2n1 770083672 XIQVSVIMJQKYOY-SEYXRHQNSA-N 280.371 3.721 30 20 CHED C=CCCCCNC(=O)C(F)(F)c1ccc(C)cc1 770083733 YTXRJTIJNUVAQD-UHFFFAOYSA-N 267.319 3.559 30 20 CHED C[C@@H](C#N)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 770945487 PPIXOAPMEIEGLQ-NEPJUHHUSA-N 296.370 3.609 30 20 CHED CCC1(c2noc(COc3cccc(C#N)c3)n2)CCCC1 771719286 WOGWOSAVKRNPKU-UHFFFAOYSA-N 297.358 3.742 30 20 CHED COc1cccc(NN=Cc2cscc2Cl)c1 771883930 DTCBMDINTNKIGK-UHFFFAOYSA-N 266.753 3.856 30 20 CHED C=CCC[C@@H](NC(=O)/C=C/C=C\C)c1ccccc1 772170312 RJXNAUUDYSBFCB-HDWKNCSBSA-N 255.361 3.942 30 20 CHED CCc1cnccc1[C@@H](C)/N=C\c1cccc(OC)c1O 773152790 SPDKLSGPIIMMOZ-ZDFPAGSVSA-N 284.359 3.538 30 20 CHED O=C(O)c1cccc(/C=C2\CCCc3ccccc3C2=O)c1 774107277 XQTWEJWAPITENT-RVDMUPIBSA-N 292.334 3.987 30 20 CHED Cc1cccc2c1N(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 775971214 GZDIAPWKCRUCAX-HNNXBMFYSA-N 292.382 3.849 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCc2cc(C)ccc21 776084068 HXHRYPDJIBSTIW-AWEZNQCLSA-N 272.392 3.812 30 20 CHED C=C(CN[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 776157517 CBTNNNKLOPNHLD-MRXNPFEDSA-N 292.382 3.953 30 20 CHED CC#CCNc1ccc(OCc2cccc(C#N)c2)c(F)c1 776207299 LBYVDTWXHDGYIS-UHFFFAOYSA-N 294.329 3.712 30 20 CHED C[C@@H]1CCCC[C@H]1OCC(=O)O[C@H](C#N)C1CCCCC1 776386728 SPHFLIGODDPXPO-FVQBIDKESA-N 293.407 3.597 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)s1 776727320 VYHYSHONXLBXMB-VOTSOKGWSA-N 271.316 3.963 30 20 CHED C=CCSc1ccccc1C(=O)OCCCC(=O)CC 777076878 VPZFYYVPDOKIAA-UHFFFAOYSA-N 292.400 3.881 30 20 CHED CC(=NNCc1cnc2ccccc2c1)C1CCSCC1 777444053 WJHYYDVXRURJRK-UHFFFAOYSA-N 299.443 3.844 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)Cc2ccc(Cl)cc21 777466352 AJVFEOPCBDZDNL-VZUCSPMQSA-N 273.694 3.697 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(F)nc2)cc(C)c1F 777468153 VTUJQJBTIMWPPV-HYXAFXHYSA-N 273.282 3.873 30 20 CHED C#CCOc1cccc(Cl)c1CNc1ncccc1C 777732169 KRNMYUHNDVFASA-UHFFFAOYSA-N 286.762 3.668 30 20 CHED C=CCC[C@@H](C(=O)O[C@@H]1CCSC1)c1ccccc1 778631933 LYCZMJNXCNTSEQ-HUUCEWRRSA-N 276.401 3.785 30 20 CHED C=C(Br)CN1C[C@@H](C(F)(F)F)CC[C@@H]1C 780385130 MCQLKYBPISNSIO-IUCAKERBSA-N 286.135 3.558 30 20 CHED C[C@H]1CCCC(=NNc2nncc3ccccc23)[C@@H]1C 781116503 FCUPIZZETPMNPH-NWDGAFQWSA-N 268.364 3.854 30 20 CHED Cc1ccc(F)cc1COC(=O)CCc1ccc(C#N)cc1 782249983 OGBRPXAOWYMTEV-UHFFFAOYSA-N 297.329 3.682 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)n2)s1 782846421 HCAOIGQPBDLDCC-UHFFFAOYSA-N 298.154 3.574 30 20 CHED CC[C@H]1CCC[C@H](C=NNCc2ccc(C#N)cc2)C1 783856845 LFOUJPBJTJGYSQ-YOEHRIQHSA-N 269.392 3.850 30 20 CHED C#CCCCCCC(=O)OC[C@H]1CCC2(CCCC2)O1 784620223 UGZJSTRXPMODDI-OAHLLOKOSA-N 278.392 3.605 30 20 CHED C=CCCN(C)Cc1sc2nc(C)nc(C)c2c1C 786580225 YUTJSQYDENRLAW-UHFFFAOYSA-N 275.421 3.624 30 20 CHED CC[C@H](CC#N)OC(=O)c1cc(-c2ccccc2)ns1 787083825 HSFMVDHCUAAJSX-GFCCVEGCSA-N 286.356 3.659 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2cn3cc(C)ccc3n2)c1 789145116 YVBMCMZIVDZYPM-ALCCZGGFSA-N 292.338 3.553 30 20 CHED C/C=C(/CC)C(=O)OCc1ccc(C#N)cc1Cl 789225411 BMNCZJDPRLFMJN-JYOAFUTRSA-N 263.724 3.611 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccc(Cl)nc2)CC1 790180197 BNNLZGISOLUJFA-UHFFFAOYSA-N 279.815 3.827 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CCC)Cc1ccc(F)cc1 791059797 UTUGBVYKZINJPQ-INIZCTEOSA-N 290.382 3.549 30 20 CHED COc1ccc(Cl)cc1C=NN[C@H](C)C(C)(C)C 793112942 YGDOHCSCERBPRN-SNVBAGLBSA-N 268.788 3.707 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCN2CCC[C@H]2C1 793521291 JXRQXXDCZGWVMU-BBWFWOEESA-N 264.457 3.728 30 20 CHED C=CCCCCC[C@@H](C)NCc1ncnn1C(C)(C)C 793563615 DIRAJIBPYVKSIJ-CQSZACIVSA-N 278.444 3.648 30 20 CHED CCCCCCCCC(=O)NCc1ccc(OC)cc1O 794378120 XOXGSOYEDYQJTK-UHFFFAOYSA-N 293.407 3.768 30 20 CHED Cc1ccc(NN=C[C@H](c2ccccc2)C(C)C)nn1 794507750 MYFFYTJZEBWVEM-HNNXBMFYSA-N 268.364 3.623 30 20 CHED Cc1ccc(C2CC(=NNCCC(F)(F)F)C2)cc1 794548096 PDAYJTFXZNHCEP-UHFFFAOYSA-N 270.298 3.770 30 20 CHED C[C@@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1cccnc1 796036336 JZYMMJBWBFYIBX-CYBMUJFWSA-N 294.354 3.801 30 20 CHED C[C@@H](OC(=O)[C@@H]1CCC(F)(F)C1)c1ccc(C#N)cc1 796371560 RTDRSSRGBUOXKM-ZWNOBZJWSA-N 279.286 3.598 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(F)c2F)ccc1C#N 799497035 DPWMDWVNFKSOJM-SOFGYWHQSA-N 299.276 3.741 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C/c1ccc(C#N)s1 799897841 SSCJTJZDXFWYPA-NTUHNPAUSA-N 280.352 3.729 30 20 CHED Cn1cnc(/C=C2\Cc3cc(Cl)cc(Cl)c3C2=O)c1 800794860 SBSVQYAUTRICGG-RUDMXATFSA-N 293.153 3.549 30 20 CHED CC#CC(=O)N(CCc1ccccc1)Cc1ccc(C)s1 801115926 HEQLIHUWCHHYKC-UHFFFAOYSA-N 297.423 3.651 30 20 CHED N#CCCCOC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801896404 WCOIZAHDCFROJO-LLVKDONJSA-N 289.228 3.563 30 20 CHED C#C[C@@H](CC)NC(=O)Nc1ccc(OCCC)c(Cl)c1 806220378 BASMAEDHDFAZCU-NSHDSACASA-N 294.782 3.662 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(F)cc(Cl)c2)no1 806556142 NUDQGDCTWDFLGC-NSCUHMNNSA-N 265.671 3.672 30 20 CHED Cc1ccc(N(C)C(=O)CCCCCC#N)cc1C 807588142 KQOSKYUVYQAXSR-UHFFFAOYSA-N 258.365 3.740 30 20 CHED Cc1ccc(NN=Cc2ccc(C(C)(C)O)cc2)cc1 807944055 VWOXYBMSQWJPML-UHFFFAOYSA-N 268.360 3.668 30 20 CHED Nc1ccc(C=NNc2c(Cl)cc(F)cc2Cl)cn1 807980570 VQEKWYVCPNZFMM-UHFFFAOYSA-N 299.136 3.556 30 20 CHED FC(F)C1CCC(=NNc2nccnc2C2CCC2)CC1 807992786 RFNADPNDASKTOX-UHFFFAOYSA-N 294.349 3.967 30 20 CHED C#CCOc1ccccc1-c1noc(-c2ccoc2CC)n1 809396054 ZFYOFASXMHUQJQ-UHFFFAOYSA-N 294.310 3.571 30 20 CHED C#Cc1ccc(CN[C@H]2CSCc3ccccc32)cc1 809610466 TWLRPZQJEBDNQV-SFHVURJKSA-N 279.408 3.746 30 20 CHED C#CCC1(c2nc(-c3ccoc3C)no2)CCCCC1 810320856 OMIQWZAVIKMHFM-UHFFFAOYSA-N 270.332 3.863 30 20 CHED C#CCCCOC(=O)CCCc1ccccc1Cl 810541531 FHBYNWQPCCECAV-UHFFFAOYSA-N 264.752 3.619 30 20 CHED C#C[C@H](N[C@H]1CCO[C@H](C(C)C)C1)c1ccc(Cl)cc1 811517217 LIHBZIKKLJSOMZ-ULQDDVLXSA-N 291.822 3.808 30 20 CHED C=CCCCCCCCNC(=O)NCc1cccc(O)c1 811889961 CYGJDXQXBPEXJW-UHFFFAOYSA-N 290.407 3.718 30 20 CHED C#CCON=C(C)c1ccc(OC(C)C)c(Cl)c1 812233798 XFXSXKRHZIPGRL-UHFFFAOYSA-N 265.740 3.501 30 20 CHED Clc1cccnc1NN=C1CC[C@H]2CNc3cccc1c32 814810799 WRKSEPFUPYPGAK-JTQLQIEISA-N 298.777 3.854 30 20 CHED CC(=NNc1nnc(-c2ccccc2)s1)c1ccc(C)o1 814947016 YNJBNMNDSKTVRL-UHFFFAOYSA-N 298.371 3.943 30 20 CHED CCc1nc(C(C)C)ccc1COC(=O)c1ccc(C#N)o1 815249906 LEUZGMFTTQMGGR-UHFFFAOYSA-N 298.342 3.589 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@](C)(CCC)C1 815729631 CYICACJUTKGDCH-CYBMUJFWSA-N 259.340 3.627 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H]1CC2CCC1CC2 815905425 MWBBTXNQDGYMMB-ZALBZXLWSA-N 299.370 3.689 30 20 CHED C=CCn1cc(CN[C@@H](CCCCC)c2ccccc2)nn1 818346260 KYLRZGNDIMQYIM-SFHVURJKSA-N 298.434 3.875 30 20 CHED C=C(C)C(C)(C)C(=O)Oc1cccc2c1CCCC2=O 820132672 HKBFUZQGLKEYLU-UHFFFAOYSA-N 272.344 3.713 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 820221940 ADZNYZCCYIEVPO-INIZCTEOSA-N 277.795 3.813 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)OCC(C)(C)C#N 820557597 SIIGXVOUCKCILW-AWEZNQCLSA-N 273.376 3.657 30 20 CHED C=CCN(C(=O)/C=C\c1cccs1)c1ccccc1 820801958 QMWREGPHHDTCJX-KHPPLWFESA-N 269.369 3.981 30 20 CHED C=CCN(C(=O)NCc1ccc2occc2c1)C(C)C 820833131 GHUFHHSHTBKWOF-UHFFFAOYSA-N 272.348 3.539 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(OCCC)cc1C)C(C)C 821542127 QHIGLQNABBVHGL-HNNXBMFYSA-N 288.391 3.563 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC(C)(C#N)CC1 821793096 TWRDDLMJUCBOCW-KRWDZBQOSA-N 298.430 3.716 30 20 CHED CC(C)(CNC(=O)c1cc(C#N)ccc1F)C1CCCC1 831051439 UZTBJINRJJUONM-UHFFFAOYSA-N 288.366 3.644 30 20 CHED C#CC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccccc1 831237640 OKBSNWFKDKXVHB-QGZVFWFLSA-N 294.398 3.731 30 20 CHED CCc1cccc(C)c1NN=C1C[C@@H](C)n2ccnc21 834975723 DIZZVGXSCHWIKA-GFCCVEGCSA-N 268.364 3.535 30 20 CHED C#CCNN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 835008409 FLUBSGVQCFXPOX-GFCCVEGCSA-N 280.293 3.552 30 20 CHED CC(=NN[C@H]1CCc2c(F)cccc21)c1cnccc1C 835020730 ONSBXSOIHACBSD-KRWDZBQOSA-N 283.350 3.530 30 20 CHED C=CCC1(C(=O)OC[C@@H]2CCCS2)CCCC1 835194492 KVCBLYIQNVMTEE-LBPRGKRZSA-N 254.395 3.562 30 20 CHED C/C=C(\C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 836819312 OWIMIRCYIFXDCW-IZZDOVSWSA-N 272.348 3.640 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(C)c(Cl)c1Cl 837920550 LIPIRMBFQDPOSV-MRVPVSSYSA-N 272.131 3.761 30 20 CHED CCCCCCCCC(=O)N(C)Cc1noc(C2CC2)n1 839932206 UCISHTBKQPXANI-UHFFFAOYSA-N 293.411 3.656 30 20 CHED N#CC1(CCOC(=O)c2cnccc2Cl)CCCCC1 840404204 OZLKLCYXRLQZBX-UHFFFAOYSA-N 292.766 3.756 30 20 CHED Cc1cc(/C=C2\COc3ccc(C(C)C)cc3C2=O)nn1C 840717800 IUVDKWMSXPATLR-RIYZIHGNSA-N 296.370 3.511 30 20 CHED N#Cc1ccc(NN=C2CCC[C@@H]3C[C@H]23)cc1Cl 841633568 XUABOGROTAVVJT-SKDRFNHKSA-N 259.740 3.800 30 20 CHED CCCCCCCCNCc1ccccc1C(=O)N(C)C 841855689 YJXBPCGSAJZOPD-UHFFFAOYSA-N 290.451 3.839 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(C2CC2)cs1 842942736 DQGWBHNWOUWMCT-UTUOFQBUSA-N 274.389 3.633 30 20 CHED CC(C)Cn1nccc1/C=C1/CCc2ccccc2C1=O 843266562 XLHAYWBHZAGIAP-PTNGSMBKSA-N 280.371 3.752 30 20 CHED CCCC(C)(C)C(=O)OCc1ccc(C#N)cc1F 845358444 YXZBYLIYRGFCFE-UHFFFAOYSA-N 263.312 3.567 30 20 CHED C1=CO[C@@H](C/N=C(/Nc2ccccc2)N2CCCCC2)CC1 849106366 KFMDCAUCJMYUML-QGZVFWFLSA-N 299.418 3.633 30 20 CHED COc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)c(C)c1 849249949 NIFZGDGVSGRJDV-HJWRWDBZSA-N 296.370 3.511 30 20 CHED N#CC1(CCOC(=O)C2CC3(CC3)C2)CCCCC1 850216483 SUIOCWRDORFXJK-UHFFFAOYSA-N 261.365 3.584 30 20 CHED FC(F)(F)Oc1cccc(CC=NOC2CCC2)c1 853348887 PMGRFHPEAVGESU-UHFFFAOYSA-N 273.254 3.683 30 20 CHED CC(CC(C)(C)C#N)=NNc1nnc(-c2ccccc2)s1 853351559 LOTZWIMBAIGRKW-UHFFFAOYSA-N 299.403 3.933 30 20 CHED C=C(C)CCc1noc(CC[C@@H]2CC2(Cl)Cl)n1 854057783 BAMDDTDKWHOGEO-SECBINFHSA-N 275.179 3.705 30 20 CHED C/C(=C\C(=O)NCC1CCC(C#N)CC1)c1cccs1 857224173 FETAZFBCMZVDOS-FMIVXFBMSA-N 288.416 3.598 30 20 CHED Cc1cc(CN[C@H]2CC[C@H](C#N)C2)c(C)n1-c1ccccc1 858543177 QPKAUGXJDWMRNR-WMZOPIPTSA-N 293.414 3.876 30 20 CHED C#C[C@@H](OC(=O)CCCc1ccccn1)c1ccc(C)cc1 860964948 ZWGIDIKIZLOZOT-GOSISDBHSA-N 293.366 3.630 30 20 CHED C[C@@H](CCC#N)CNCCc1c[nH]c2ccc(Cl)cc12 877067878 NMTDSHRQJWHPSL-LBPRGKRZSA-N 289.810 3.893 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(OC(F)F)cc2F)C1 877313206 VBZXZJIGVVODRQ-OAHLLOKOSA-N 298.308 3.553 30 20 CHED C=CC(C)(C)CC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 878861222 SCBZICHLAMSCII-GDBMZVCRSA-N 271.404 3.993 30 20 CHED C=C1CCC(C(=O)N[C@H](C)c2csc(CC)n2)CC1 888921725 GEXMHCTWQWSUEL-LLVKDONJSA-N 278.421 3.629 30 20 CHED C=CC1(OC(=O)Cc2csc(-c3ccccc3)n2)CC1 893364923 GYMGDYWUWHAGOF-UHFFFAOYSA-N 285.368 3.614 30 20 CHED C=C(C)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 899855177 SWDGHWDHLQUURB-CABCVRRESA-N 287.359 3.549 30 20 CHED C[C@@H](C(=O)N(O)Cc1cccc2ccccc12)C1CC1 901370237 VPQVCUXYSUBPQP-GFCCVEGCSA-N 269.344 3.604 30 20 CHED CC[C@H](NCCc1nc(C)c(C)s1)c1cccc(C#N)c1 902842780 IEDYMFZVEZTWHL-INIZCTEOSA-N 299.443 3.915 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1ccccc1OC(F)(F)F 903031187 JHDXHVFOEQJPEW-NSHDSACASA-N 298.308 3.930 30 20 CHED CSc1ccc(CCC(=O)OCC2(C#N)CCC2)cc1 910205973 RMXPGGVIIKAJSF-UHFFFAOYSA-N 289.400 3.578 30 20 CHED C#CCN(CC)C(=O)c1ccc(OCC2CCCCC2)cc1 919877179 GKDJQBKTIWVSTF-UHFFFAOYSA-N 299.414 3.741 30 20 CHED C[C@@H](NN=C1CCN(Cc2ccccc2)C1)c1ccccc1 920383451 WATXVPHUXPDOQI-MRXNPFEDSA-N 293.414 3.599 30 20 CHED COc1ccc(O)c(/C=N\CCc2cccc(Cl)c2)c1 920944413 FCBRRWXIXFWIPK-WQRHYEAKSA-N 289.762 3.716 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCO3)Cc2c(F)cccc21 921264560 WOBYDECBNYNQGI-LCYFTJDESA-N 280.298 3.583 30 20 CHED C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N(CC)CC 1122538813 DVZQOBKMHUEDOH-GFCCVEGCSA-N 298.381 3.603 30 20 CHED N#Cc1cccc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)c1 1124203714 MPYFKEQAOFMRJN-STQMWFEESA-N 268.360 3.713 30 20 CHED Cc1nnc(SC[C@@H](C)C(C)(C)C)c(C#N)c1C 1165498258 XMYXIPLUTCGIBK-SECBINFHSA-N 263.410 3.739 30 20 CHED Cc1cc(SC[C@H]2COc3ccccc3O2)ccc1C#N 1166399865 VYWBSAOGEVTIQE-CQSZACIVSA-N 297.379 3.799 30 20 CHED CCC(CC)CN(CCC#N)C[C@@H]1CCCCN1C(C)C 1167558570 PBEOJVXRRUVAIU-SFHVURJKSA-N 293.499 3.901 30 20 CHED CCC1(c2ccccc2)CN(Cc2ccc(C#N)c(F)c2)C1 1206225127 YWIFLWKRFMEDGT-UHFFFAOYSA-N 294.373 3.861 30 20 CHED N#C[C@H](NC(=O)c1ccc(C(F)F)cc1F)C1CCCC1 1262108349 NCKHMGRNIDVBEE-ZDUSSCGKSA-N 296.292 3.575 30 20 CHED Cc1ccc(CC(=O)Nc2ccccc2C#N)cc1Cl 1264115670 BNJYPQKVXRYKJI-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C=C(Br)CN1C[C@H](C)C[C@@H]1c1ccccc1 1307754462 WWVJXRXCOWEWTB-BXUZGUMPSA-N 280.209 3.978 30 20 CHED COc1cc(C)ccc1CN(CCC#N)CCC(C)C 1308590100 PAESMAJCHHUMRY-UHFFFAOYSA-N 274.408 3.765 30 20 CHED C=CCN(C(=O)CCc1nc2ccccc2s1)C(C)C 1317792434 LNMNZJVBCQXSKQ-UHFFFAOYSA-N 288.416 3.652 30 20 CHED O=C(/C=C\c1ccc(N2CCCC2)cc1)c1ccco1 1319279916 YISUJRDLJQVBRS-YFHOEESVSA-N 267.328 3.776 30 20 CHED COc1cc(CN[C@@H](CCC#N)c2ccccc2)ccc1F 1319839551 MAFGNRWWPFONBF-KRWDZBQOSA-N 298.361 3.969 30 20 CHED C=CCC(CC=C)c1nnc(-c2ccc(C#N)cc2)o1 1324102128 UFBFHHHAZHOKLJ-UHFFFAOYSA-N 265.316 3.844 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1nc(C(C)(C)C)cs1 1324968975 FGMNVFIEVBMIDS-NSHDSACASA-N 292.448 3.667 30 20 CHED C=CCC1(c2nnc(CCc3ccc(OC)cc3)o2)CCC1 1325827949 LTZNVWRAQDCPPW-UHFFFAOYSA-N 298.386 3.861 30 20 CHED C=CC(C)(C)CNC(=O)c1cn(CC)nc1-c1ccccc1 1333560712 YHJROXFRDCDUAY-UHFFFAOYSA-N 297.402 3.512 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc(O)c2ccccc12 1336759666 NQPOEJXGDVOPPE-CYBMUJFWSA-N 296.370 3.511 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccccc1F 1346236639 BWFXQQAJKIWABH-LBPRGKRZSA-N 262.328 3.788 30 20 CHED C#C[C@@H](NC(=O)c1c(CC)oc2ccccc12)C(C)(C)C 1348298365 JNKLNKHUXJHDKZ-OAHLLOKOSA-N 283.371 3.773 30 20 CHED N#Cc1sccc1C(=O)Nc1cccc(Cl)c1 1348992794 JSHKQZIZGWTESK-UHFFFAOYSA-N 262.721 3.525 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1cnc(Cl)cc1C#N 1349668447 VPJUEMWXUHJWRJ-ZYHUDNBSSA-N 291.782 3.762 30 20 CHED N#CCc1ccc(NC(=O)c2ccc(F)c3occc23)cc1 1350787544 WAELNIKFXWOEAE-UHFFFAOYSA-N 294.285 3.890 30 20 CHED Cc1cc([C@@H](C)NC(=O)[C@@H](CC#N)c2ccccc2)c(C)o1 1351824590 OMQUWJFRKLKHQZ-CJNGLKHVSA-N 296.370 3.771 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)[C@H](C#N)CCc1ccccc1 1443022948 ZZOYXDCOBPPCGO-ZWKOTPCHSA-N 298.430 3.796 30 20 CHED Cc1cc(C#N)cc(NCc2ccnn2-c2ccccc2)c1 1461579981 JBIPKZCNYGLVKF-UHFFFAOYSA-N 288.354 3.665 30 20 CHED Cc1cc(F)cc(C(=O)Nc2cc(C#N)c(F)cc2F)c1 1462278736 AADDOEKFGIXNNB-UHFFFAOYSA-N 290.244 3.536 30 20 CHED C[C@@H](CC(=O)O[C@@H](CC#N)c1ccco1)c1ccco1 1518002714 WONKMZRAKKRUHI-FZMZJTMJSA-N 273.288 3.564 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1 1522031801 GHQHAVQZUGAERN-DZGCQCFKSA-N 256.349 3.713 30 20 CHED C[C@H](C#N)N(C)C(=O)c1ccc(-c2cccc(F)c2)s1 1523779956 QFOJNTDUDHODBS-SNVBAGLBSA-N 288.347 3.538 30 20 CHED C=C(C)Cn1c([C@@H]2CC=CCC2)nnc1N1CC[C@H]2C[C@H]2C1 1524068297 ROVRZMVPOIITMG-PMPSAXMXSA-N 298.434 3.524 30 20 CHED N#CC1(OC(=O)/C=C\c2cc(Cl)cc(Cl)c2)CCC1 1524695567 FLSDJSVQNCJUAH-IHWYPQMZSA-N 296.153 3.996 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCC#N)CC(C)(C)C 1528620355 IOGXMYGJTRPPOQ-UONOGXRCSA-N 278.440 3.847 30 20 CHED C[C@@H](NC(=O)c1csc(C#N)c1)c1ccc(Cl)s1 1534954093 VQIQYMPJLQZEDZ-SSDOTTSWSA-N 296.804 3.826 30 20 CHED C[C@@H]1C[C@@H](CCNc2cncc(C#N)n2)CC(C)(C)C1 1559179955 PAIMUFAYZHPAJM-CHWSQXEVSA-N 272.396 3.613 30 20 CHED CC(C)(C)c1cnc(Sc2ncc(C#N)cc2Cl)[nH]1 1559252347 BXWDMFDNBRCMJO-UHFFFAOYSA-N 292.795 3.778 30 20 CHED C=CC[C@@H](Sc1cccc(Br)c1)C(=O)O 1588759000 NFPYSTOVXVCKBY-SNVBAGLBSA-N 287.178 3.571 30 20 CHED CC(C)c1ccc(C(=O)/C=C\c2ccoc2C(=O)O)cc1 1591943658 OTFIKDDROGCMOS-FPLPWBNLSA-N 284.311 3.997 30 20 CHED CCCCCCCC[C@@H](C)C(=O)N[C@H]1CC=C(C(=O)O)C1 1595705052 OVLWSEINKILLMR-HIFRSBDPSA-N 295.423 3.663 30 20 CHED C=C(CNC(=O)[C@H](CC)CC(C)C)c1ccccc1 1596356971 AKXNGEDZXWVRKV-OAHLLOKOSA-N 259.393 3.888 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2coc3ccccc23)c1 1602550192 UCQWLXFCQCUOMR-AATRIKPKSA-N 282.251 3.620 30 20 CHED O=C(O)c1coc(/C=C/C(=O)c2cccc(Cl)c2)c1 1602553355 FUOJENOYZHDREB-SNAWJCMRSA-N 276.675 3.527 30 20 CHED C=CCCC[C@@H](NCc1c[nH]c(C(=O)O)c1)c1ccccc1 1602873010 ONVFOXMZBMADRT-MRXNPFEDSA-N 298.386 3.900 30 20 CHED CC[C@@H]1C[C@H]1COc1ccc(Br)c(C#N)c1 1615027477 SWLDGDVVPZSHFD-KOLCDFICSA-N 280.165 3.746 30 20 CHED CCCCN(C(=O)c1ccc(F)c(C#N)c1)c1ccccn1 1623703205 ZVEKWHRJOVXUDU-UHFFFAOYSA-N 297.333 3.539 30 20 CHED C=C(Cl)CNCc1ccc(OCC(C)C)c(OCC)c1 1650314611 NPSHLJOBKCUVOZ-UHFFFAOYSA-N 297.826 3.962 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CCC(C)(C)C#N)C1(CC)CC 1652780544 JCCRRPUQBFOXCV-HUUCEWRRSA-N 280.456 3.842 30 20 CHED C[C@H]1CC(C)(C)CN1Cc1ccc(C#N)cc1OC(F)F 1653909998 RCLXTJMIDSDCEE-NSHDSACASA-N 294.345 3.780 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1ccc(Cl)c(C#N)n1 1655595964 OZMIRKUFDLSDFG-LLVKDONJSA-N 296.761 3.676 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1cc2cnccc2o1 1657634764 PPILDBHODSICIP-GFCCVEGCSA-N 293.326 3.731 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)ccc1-n1ccnc1 1661877017 LDRMWAXEDRDSCJ-UHFFFAOYSA-N 282.391 3.923 30 20 CHED C[C@H](NC(=O)Nc1cccc(CC#N)c1)c1cccs1 1671983978 DGHXQBXANPWMBP-NSHDSACASA-N 285.372 3.697 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc(C#N)ccc1F 1672121226 GXTVKHJJCZQABU-GHMZBOCLSA-N 277.343 3.644 30 20 CHED C=C(Cl)Cn1c(N2CCC[C@@H](C)C2)nnc1C(C)(C)C 1722558280 JSEIBZHNFBSOBE-LLVKDONJSA-N 296.846 3.564 30 20 CHED CCc1ccc(/C=C/C(=O)c2cccc(C(=O)O)c2)cc1 1776968848 BOSYNQLTNDBRRY-ZHACJKMWSA-N 280.323 3.843 30 20 CHED C[C@H](N[C@H](C)c1ccccc1)c1ccc(C#N)cc1 19878231 IZJMPZRCIHPVEW-KGLIPLIRSA-N 250.345 3.970 30 20 CHED CC(C)Oc1ccccc1/C=C1\Oc2cc(O)ccc2C1=O 22016494 FFNVXLIJNOGENT-MFOYZWKCSA-N 296.322 3.796 30 20 CHED C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(C#N)cc1 35255683 ANIMUIUSOPWRMP-SNVBAGLBSA-N 285.278 3.779 30 20 CHED C[C@@H](Nc1c(C#N)cnc2ccccc12)c1ccccn1 37507658 XBHPFMJISSMOIS-GFCCVEGCSA-N 274.327 3.675 30 20 CHED C=CCN(CC=C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 47465516 RJPMTXPXKDDSOV-UHFFFAOYSA-N 294.398 3.861 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)s1 48439473 JKRSDYGPNDAMQN-UHFFFAOYSA-N 290.775 3.545 30 20 CHED Cc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)s1 49183536 BVDOBQUJIUTOHT-LLVKDONJSA-N 274.364 3.918 30 20 CHED Cc1cc(CNc2ccc([N+](=O)[O-])cc2C#N)ccc1F 49957167 OAMRPVRURCFHTM-UHFFFAOYSA-N 285.278 3.526 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)cc1)c1cccc(F)c1 50355281 DRDNJGKSJFODRG-NSHDSACASA-N 269.275 3.615 30 20 CHED N#CC1(C(=O)NCc2cccc3ccccc23)CCCC1 55464022 SUFSUHALAILCFR-UHFFFAOYSA-N 278.355 3.540 30 20 CHED N#CCc1ccc(C(=O)OCCCc2ccccc2)cc1 58248559 XMORMDLXRCWGJI-UHFFFAOYSA-N 279.339 3.542 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCCC[C@H]1C 66416786 UTOTTYWEIGVOIR-CZUORRHYSA-N 270.376 3.599 30 20 CHED C=C(C)COc1cccc(NC(=O)N(C)CCCC)c1 67319657 OIFVKIZDRZGMHC-UHFFFAOYSA-N 276.380 3.905 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@H](CC(C)C)C2)c1 72504319 DQTYVXHQJKCCKI-OAHLLOKOSA-N 270.376 3.568 30 20 CHED C#CC[C@H](OC(=O)c1ccccc1Cl)c1ccccn1 73293078 YUDFPGYNYNZGTI-HNNXBMFYSA-N 285.730 3.656 30 20 CHED O=S(=O)(/N=C(\O)CCCC1CCCC1)c1ccccc1 76755615 NMDZNBOFJHUASU-UHFFFAOYSA-N 295.404 3.692 30 20 CHED C=C(C)COc1cccc(NC(=O)NCCCSC)c1 77442291 HDQGYVNRYLLVQJ-UHFFFAOYSA-N 294.420 3.516 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 79854110 VNXHHHGTNPKTCM-SNVBAGLBSA-N 285.347 3.791 30 20 CHED CCC(CC)(CC)NCc1ccc(OCC#N)cc1 86642445 SRBAAWQWJFIGTL-UHFFFAOYSA-N 260.381 3.647 30 20 CHED CCCN(CCCC(C)(C)C#N)CC(F)(F)F 87608648 JIJUYODKOMVAKU-UHFFFAOYSA-N 250.308 3.591 30 20 CHED C=CCCOCCN[C@H](C)c1cccc(-c2ccncc2)c1 90883807 QAXBAOYHRQDACN-MRXNPFEDSA-N 296.414 3.992 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1ccc(Cl)cc1 92198061 HFOWUCJZLGTTPI-RMKNXTFCSA-N 274.751 3.532 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2ccsc2)cc1 96792334 AZYDLBXWZSJKHG-BHQIHCQQSA-N 269.325 3.547 30 20 CHED CCN(Cc1cscn1)[C@H](C)c1ccc(C#N)cc1 102949704 INFVKNWRINYENS-GFCCVEGCSA-N 271.389 3.598 30 20 CHED C=CC1CCN([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 111257145 ZNRNEOZJUWVVER-LBPRGKRZSA-N 292.810 3.565 30 20 CHED CCOc1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1O 114992252 UWVXCNROOXBCBR-NTUHNPAUSA-N 298.313 3.752 30 20 CHED C=CCCCSc1nnc(-c2ccccc2F)[nH]1 117546294 RRFDIECYTGLYLH-UHFFFAOYSA-N 263.341 3.669 30 20 CHED C=CCCCSc1nc2ccsc2c(=O)n1CC 117550804 PBFGSOFQFPXHLN-UHFFFAOYSA-N 280.418 3.536 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2C[C@@H]2c2sccc2C)c1 120290611 HABPMYHMUPGSNF-HOTGVXAUSA-N 295.407 3.804 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@](C)(CO)C1 120668415 IMXAAVCMLASLCW-QGZVFWFLSA-N 298.471 3.541 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(CC)c(C)s1 122568097 RQEGMYZLJDBSRI-UHFFFAOYSA-N 251.395 3.657 30 20 CHED N#CCC[C@H](C#N)CN1CC=C(c2ccc(Cl)cc2)CC1 127449734 IPEXBYCBAYMGCZ-CQSZACIVSA-N 299.805 3.873 30 20 CHED CCC(=CC(=O)N[C@](C)(C#N)CCc1ccccc1)CC 129377534 RQRGAPZDYJCPRF-SFHVURJKSA-N 284.403 3.764 30 20 CHED CN(C/C=C/c1ccc(F)cc1)Cc1ccc(C#N)cc1 131189783 UPAHNKTVOJJBSA-NSCUHMNNSA-N 280.346 3.843 30 20 CHED CC1(C)CCC(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)CC1 131925835 PTARUJVDDGXEMY-ZDUSSCGKSA-N 295.386 3.956 30 20 CHED C=CC[C@H](C)NCc1c(OC)ccc2ccccc12 134747627 PKABJPJNAFFJLA-ZDUSSCGKSA-N 255.361 3.903 30 20 CHED C=CC[C@@H](C)NC(=O)CCn1ccc2cc(Cl)ccc21 135045894 KSQYOVAZJBSIBL-GFCCVEGCSA-N 290.794 3.766 30 20 CHED C#C[C@@H](OC(=O)c1cccc(-c2ccccn2)c1C)C1CC1 152831666 HIPIUFXADBQGRD-GOSISDBHSA-N 291.350 3.626 30 20 CHED C=CCC[C@H](NC(=O)Nc1ccccn1)c1ccccc1 153295978 QNMOTDIVPRRPDK-HNNXBMFYSA-N 281.359 3.911 30 20 CHED CCC[C@H](C)C(=O)N[C@H](CCC#N)c1ccccc1 153372197 FMSXVNSREFOXEF-DZGCQCFKSA-N 258.365 3.584 30 20 CHED C=CCNC(=O)Nc1cc(Cl)c(C)cc1Cl 154026455 UNBDZPOLLVOBQW-UHFFFAOYSA-N 259.136 3.609 30 20 CHED COc1ccc(/C=C/C(=O)c2ccccc2F)cc1C#N 156584105 FIKWFSKSTVDGIU-SOFGYWHQSA-N 281.286 3.602 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1c(C)n[nH]c1C)C2=O 157588738 PLWDVJLBHYZNGL-DOQDJBIESA-N 266.344 3.718 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2ccccc2c(Cl)n1 158065259 FHAPNATXACQTMZ-SNVBAGLBSA-N 274.751 3.583 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 158686826 AAZWGBAYALJENO-INIZCTEOSA-N 294.398 4.000 30 20 CHED COC(=O)[C@@H](Sc1cccc(C#N)c1)c1ccccc1 158736831 VURZSJWNSFRCQN-HNNXBMFYSA-N 283.352 3.565 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(CCC#N)Cc2ccco2)o1 159593522 WGLZKORJDDAIDD-CZUORRHYSA-N 284.359 3.912 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)N[C@@H](C)CC#N 159746073 DZFYBBXQQXHSEL-VIFPVBQESA-N 297.811 3.876 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)CC1(C)CCCCC1 163168777 SYKQHGDSVAUZCA-UHFFFAOYSA-N 284.403 3.877 30 20 CHED Cc1cc(C#N)ccc1CN(C)C1CCC(C)CC1 165454004 PGHYDMQSTDKMER-UHFFFAOYSA-N 256.393 3.877 30 20 CHED Cc1cccc([C@H](C)NCc2ccc(C#N)s2)c1 166490912 USFOILQNSMKXLP-LBPRGKRZSA-N 256.374 3.779 30 20 CHED CC#CCSCc1cccc(SC(=O)N(C)C)c1 166749969 OUXLTRQOWXZPRT-UHFFFAOYSA-N 279.430 3.717 30 20 CHED CCN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1C 171241381 MMGBGZMQNIJFGC-YJBOKZPZSA-N 298.430 3.918 30 20 CHED C=CCCC(=O)N(C)CC(C)(C)c1ccc(C)cc1 172772198 JQLWPECHAOYPRX-UHFFFAOYSA-N 259.393 3.697 30 20 CHED C[C@@H](NCCCCC#N)c1ncc(-c2ccccc2)o1 174057225 ZROBRMVGVIZCDO-CYBMUJFWSA-N 269.348 3.686 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)o1 174415810 NIKMJEUHXHAULX-MAUKXSAKSA-N 280.371 3.652 30 20 CHED C=CCNc1cc(C(=O)Nc2ccccc2)ccc1C 174945130 VHQFSQPTQPTQFD-UHFFFAOYSA-N 266.344 3.845 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cccc(F)c2)s1 176399011 FFGDGHCCZPZNSZ-VOTSOKGWSA-N 257.289 3.655 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@H](C)C1 177666195 XPXPVBMVQZMWIE-QWHCGFSZSA-N 286.375 3.722 30 20 CHED CCN(Cc1scnc1C)[C@H](C)c1ccc(C#N)cc1 179464362 AOQWRSGSBUSYEG-CYBMUJFWSA-N 285.416 3.906 30 20 CHED CCn1cc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c2ccccc21 179862275 HOTBBTIYYBDTQM-CHWSQXEVSA-N 282.343 3.510 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cnc(-c3ccccc3)s2)C1 179901130 DFBLEQOPSJKKOK-YPMHNXCESA-N 298.367 3.659 30 20 CHED Cc1cnc(CSCc2cc(C#N)ccc2F)s1 180014319 YDJZJRUPUMLFBC-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C[C@@H](NCCCOc1ccc(F)cc1)c1ccc(C#N)cc1 180141251 VJNOMAPHDINZRW-CQSZACIVSA-N 298.361 3.817 30 20 CHED C=CCSCCN[C@H]1CCCOc2ccc(F)cc21 180457991 LWNCRUVNZOFNAT-AWEZNQCLSA-N 281.396 3.548 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1CCC(OC(C)C)CC1 180772749 BDOVDNPTQUVABT-FHERZECASA-N 296.455 3.767 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1C#N 180975376 NUWUEWFSKISGBH-GHMZBOCLSA-N 278.783 3.857 30 20 CHED CSc1cccc(C)c1NC(=O)NCCCCC#N 184941015 MUBMUXJMFXGXQL-UHFFFAOYSA-N 277.393 3.532 30 20 CHED C=C(C)[C@@H](NC(=O)N1CCC[C@H]1C)c1ccc(F)c(F)c1 185478230 FLYTZDQNRPJDKX-IAQYHMDHSA-N 294.345 3.776 30 20 CHED CC(C)(C)NC(=O)c1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 185737928 ONYAQFCFEICJMJ-UKRRQHHQSA-N 299.418 3.709 30 20 CHED C=C(C)[C@@H](N[C@@H](C)[C@H]1CCOC1)c1ccc(F)c(F)c1 186450835 YRMXJAVWXVCBMV-DETPVDSQSA-N 281.346 3.597 30 20 CHED Cc1ccc2cc(CN(CCC#N)CC3CC3)ccc2n1 187181599 ZCRKEMWNDRTFTA-UHFFFAOYSA-N 279.387 3.669 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ccccc2)C1 187668486 LDGPGDIHIYBXLW-KXBFYZLASA-N 291.398 3.806 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C/c2ccc[nH]2)c1 187708332 BHYQBTNEBZIODZ-CMDGGOBGSA-N 282.343 3.622 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ncc(C)cc1Br 188033921 OTOYAUPZCGRDAB-ZDUSSCGKSA-N 297.196 3.693 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@@H]1C)c1ccccc1 188341962 KBZOYFMJVOTYEW-GOEBONIOSA-N 257.377 3.747 30 20 CHED CC[C@@H](CC#N)NC[C@H](C)c1cccc(Cl)c1 188487026 NPTVDVGQJYTIPN-FZMZJTMJSA-N 250.773 3.725 30 20 CHED CC(C)c1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 189872186 ZDUPXVBUXIRTHR-UHFFFAOYSA-N 280.327 3.640 30 20 CHED Cc1cc(NC(=O)Nc2cccc(C#N)c2C)ccc1O 190114173 ZBTBRNIAZXKEJD-UHFFFAOYSA-N 281.315 3.525 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCCc2c(O)cccc21 190324302 OGHLQPWUKQSMQY-MRXNPFEDSA-N 285.387 3.654 30 20 CHED C#CCCCC(=O)Nc1ccccc1S[C@H](C)CC#N 192294260 GYPIEGKKPKKKGK-CYBMUJFWSA-N 286.400 3.823 30 20 CHED COc1cc(/C=C/C(=O)c2cncc(C)c2)ccc1C 193146813 ACFMDWHPIQIGQP-VOTSOKGWSA-N 267.328 3.603 30 20 CHED Cc1cc(C(=O)OC(C)(C)C#N)c(C)n1Cc1ccccc1 194482869 QIGRTZGXPISOHP-UHFFFAOYSA-N 296.370 3.612 30 20 CHED C[C@H](Oc1cccc(F)c1F)c1cccc(C#N)c1 194629024 AHXUOCYHVSCNCR-JTQLQIEISA-N 259.255 3.976 30 20 CHED Cc1[nH]c(-c2ccccc2)nc1C(=O)/C=C\c1cccnc1 208342696 XIKAENCKOGNXRC-KTKRTIGZSA-N 289.338 3.676 30 20 CHED C=CCCOCCN[C@H]1CCCC[C@@H]1c1ccccc1 222445068 RMCMRBNRGFBUQO-MSOLQXFVSA-N 273.420 3.895 30 20 CHED CC1(C)C[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 228831408 ISBZHANHGRTVHQ-LLVKDONJSA-N 282.265 3.562 30 20 CHED 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3.716 30 20 CHED C=CCN(C(=O)c1cccc(-c2ccccn2)c1C)C1CC1 271409463 OFRAOUBRQRQVCU-UHFFFAOYSA-N 292.382 3.848 30 20 CHED C[C@H](NC(=O)[C@H]1CCCC1(C)C)c1ccc(C#N)cc1 274706624 RXVYOLNMTONAFL-SWLSCSKDSA-N 270.376 3.562 30 20 CHED C=CCCCCNC(=O)Nc1ccsc1Cl 275552212 TUWZRGNIYMCJCQ-UHFFFAOYSA-N 258.774 3.879 30 20 CHED CC1(C)CCCN(C(=O)c2cc3ccccc3o2)[C@@H]1C#N 277840300 ITUCADODYAHMPK-OAHLLOKOSA-N 282.343 3.587 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(-c2nccs2)c1 278202386 FWAZCQJLVMIAKV-UHFFFAOYSA-N 285.372 3.688 30 20 CHED CC1=C(C)CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 280313210 XFFCMYIEEOMZLW-UHFFFAOYSA-N 282.387 3.670 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCc1ccccc1F 280916127 SPZCUOKERMCTDM-KYJSFNMBSA-N 291.410 3.718 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1ccc(SC)cc1 281158156 WPJIBNPAZGFSNR-LBPRGKRZSA-N 263.406 3.942 30 20 CHED N#Cc1cc(NC(=O)[C@H]2CCCC(F)(F)C2)ccc1Cl 282480822 ILEBUDXAUPCOFI-VIFPVBQESA-N 298.720 3.976 30 20 CHED CC(C)c1ccc2c(c1)CCCN2C(=O)CCCC#N 291267885 PIHHINMDYFSMRW-UHFFFAOYSA-N 270.376 3.783 30 20 CHED CCc1ccc([C@@H]2CCN(CCCCC#N)C2)cc1 293147473 BMTIXHIXXMIVSD-QGZVFWFLSA-N 256.393 3.732 30 20 CHED C=CCC[C@@H](C(=O)NCc1cc(C)ccn1)c1ccccc1 294126742 NTBPKTBAQUCAQS-GOSISDBHSA-N 294.398 3.756 30 20 CHED C[C@H](c1ccc(F)cc1)N(C)c1ccc(C#N)cc1[N+](=O)[O-] 301083503 KERWDWCAALDWGS-LLVKDONJSA-N 299.305 3.803 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)[C@H](C)c1ccccc1 301589402 XAMIBNWQUJWNED-STQMWFEESA-N 251.333 3.557 30 20 CHED CCOc1ccc([C@@H]2CCCN2c2cccc(C#N)n2)cc1 301815468 DCGJCWQMENLPOB-KRWDZBQOSA-N 293.370 3.693 30 20 CHED C=CCCSc1nc2cc(Cl)ccc2n1C 303893309 ZSHSBQSGZZHEJT-UHFFFAOYSA-N 252.770 3.895 30 20 CHED Cc1cc(C)c(C(=O)Nc2ccc(C#N)c(F)c2)c(C)c1 307967699 SYAOGIVACXJFLX-UHFFFAOYSA-N 282.318 3.875 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2csc(Cl)c2)c1 308140738 SRKXGFMTTSLBRL-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCc1nc(C#N)cc(Sc2nc3ccccc3s2)n1 308279807 GXUVQYAFEWFENE-UHFFFAOYSA-N 298.396 3.672 30 20 CHED CCN(CC(C)C)c1cc(Br)c(C#N)cc1F 310158221 PCEASMVRFJDSOO-UHFFFAOYSA-N 299.187 3.942 30 20 CHED C=CCC[C@H](CO)NC1CCC(c2ccccc2)CC1 320608020 GCOCPIVTXGZDSD-DAWZGUTISA-N 273.420 3.630 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@@H]1C[C@@H]1C1CC1 329187832 BHHGDUZXRMCQLV-HKUMRIAESA-N 278.396 3.523 30 20 CHED CC1(C)CCC(/N=C(/O)[C@@H]2CCCOCC2)(C(=N)O)CC1 329913392 XIBCVZVHGQLTOC-GFCCVEGCSA-N 296.411 3.634 30 20 CHED CCOc1ncc(/C(O)=N/C2(C)CCCC2)cc1Cl 330720989 BVNUYTGEYISCRC-UHFFFAOYSA-N 282.771 3.771 30 20 CHED CCSc1cccc(N=C(O)N[C@@H]2CCC[C@@H]2C#N)c1 330891212 JVLJEUHZIIDYBQ-BXUZGUMPSA-N 289.404 3.626 30 20 CHED CC[C@@H]1CCCC[C@H]1N/C(O)=N/Cc1nc(C)c(C)s1 330934581 JLMNHJXIDJVNRH-CHWSQXEVSA-N 295.452 3.732 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 331410533 FXXNMCMKHARGDZ-KGLIPLIRSA-N 287.407 3.530 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 332673581 FWOCCCYXCVMNDW-TUVASFSCSA-N 276.424 3.647 30 20 CHED Cc1cc(NC(=O)C[C@H]2C=CCCC2)c(C#N)cc1N(C)C 333250311 CJRIFLNNMMIVRH-AWEZNQCLSA-N 297.402 3.618 30 20 CHED 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265.740 3.731 30 20 CHED N#Cc1ccc(Sc2nnc(-c3ccccn3)s2)cc1 360950198 ZIWOWDIRJBAPKS-UHFFFAOYSA-N 296.380 3.623 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1ccc(C#N)c(F)c1 361827076 BOXNZLKOUZKTML-CYBMUJFWSA-N 280.346 3.644 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 363332385 XMPPAUPCAGENBL-IAGOWNOFSA-N 282.387 3.641 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccccc3F)C2)C1 370105691 QIXGCGNINAQBEJ-KBUPBQIOSA-N 272.367 3.744 30 20 CHED C=CCCOCCNc1ccc(C(F)F)cc1[N+](=O)[O-] 380387782 VYBRVMFZRKDXSX-UHFFFAOYSA-N 286.278 3.537 30 20 CHED CCC(CC)(CC)CNC(=O)c1cccc(C#N)c1 391282453 LGVBWOAJLFKNKR-UHFFFAOYSA-N 258.365 3.504 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(O[C@@H](C)CC)cc1 410121148 JFYVPHATYSYFPL-ZFWWWQNUSA-N 275.392 3.948 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@H]1c1ccccc1)C1CC1 410665073 URSORIBHKOZKIQ-DLBZAZTESA-N 269.388 3.747 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411265068 XZQXEYVVTFCSQB-FHLIZLRMSA-N 298.430 3.993 30 20 CHED Cc1cc(CN2CCSC3(CCC3)CC2)ccc1C#N 411874154 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3.745 30 20 CHED N#CCN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 444729977 GPAXMBSTWCLPAD-SNVBAGLBSA-N 296.214 3.812 30 20 CHED Cc1cc(CSc2nccn2C(C)C)ccc1C#N 447299112 NXLUGCMPHUVXFP-UHFFFAOYSA-N 271.389 3.936 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1F 447479776 JSMMAQWBKNBIBC-UKRRQHHQSA-N 288.366 3.723 30 20 CHED CC[C@H](NCCCN1CCCC[C@H]1C)c1ccc(C#N)cc1 447511213 SKPFORGXKYGIAD-APWZRJJASA-N 299.462 3.863 30 20 CHED CC[C@H](NCc1scnc1C)c1ccc(C#N)cc1 447563624 RDAGVSPCBWDCOZ-AWEZNQCLSA-N 271.389 3.564 30 20 CHED CCCCN(Cc1ccccc1F)C(=O)[C@@]1(C#N)C[C@@H]1C 448671197 OLIFFUXDZUQOKQ-SUMWQHHRSA-N 288.366 3.504 30 20 CHED C=CC(C)(C)C(=O)N1CCc2cc(Br)ccc21 448803722 FCVIOODXTNWMEJ-UHFFFAOYSA-N 294.192 3.550 30 20 CHED CC1(C#N)CCC(NCc2ccnc(OC3CCC3)c2)CC1 449208453 PCFRSYNLRXLXPT-UHFFFAOYSA-N 299.418 3.575 30 20 CHED C=C(C)CCNCc1cn(CCC#N)nc1-c1ccccc1 449472524 FQFVBNRMPQQNOQ-UHFFFAOYSA-N 294.402 3.520 30 20 CHED C=CCC1(C(=O)N[C@@H](C)c2nnc(C)s2)CCCCC1 450590411 DROJUOWHRQVRLV-NSHDSACASA-N 293.436 3.550 30 20 CHED C=CCN[C@H](CCOC)c1cccc(C(F)(F)F)c1 451690156 LAYBQVTWEPTGCA-CYBMUJFWSA-N 273.298 3.559 30 20 CHED C=CC[C@H](C(=O)Nc1cnc2n1CCCC2)c1ccccc1 452334543 NIHUAUIEXMHOHQ-HNNXBMFYSA-N 295.386 3.518 30 20 CHED C=C(C)CCNC(=O)C[C@H](c1cccs1)n1cccc1 452716091 GLOKLQGTQBDNST-CQSZACIVSA-N 288.416 3.612 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)CCC=C(C)C)CC1 455265431 CVGDNJMNGWXINP-AWEZNQCLSA-N 264.413 3.729 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 455330077 ORQOBANKRDXRQG-GJZGRUSLSA-N 299.418 3.763 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 455529725 YHKOLUQQLSUJOY-MRXNPFEDSA-N 288.391 3.508 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C1=CC[C@H](C)CC1 455909335 RVDFXZYXARIVHM-LBPRGKRZSA-N 283.375 3.675 30 20 CHED C=CCC1(C(=O)NCc2cnc(C)cc2C)CCCCC1 456851521 WPUKQFWSCJEPOK-UHFFFAOYSA-N 286.419 3.841 30 20 CHED C=CC(C)(C)C(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 456919413 HLHVZCOZKLPDPL-SHTZXODSSA-N 287.403 3.612 30 20 CHED C=CCCC1(C(=O)Nc2nccc(-c3ccccc3)n2)CC1 459894924 CWURBESZOOQLHO-UHFFFAOYSA-N 293.370 3.829 30 20 CHED C[C@H](c1cccc(C#N)c1)c1nc(-c2cccs2)no1 461794326 IPEARRJUPFLPSI-SNVBAGLBSA-N 281.340 3.822 30 20 CHED CCC(CC)(CC)CNC(=O)[C@@H](C)c1cccc(C#N)c1 462190108 PMDGEDKLPHIJMV-AWEZNQCLSA-N 286.419 3.994 30 20 CHED CC#CCCSCc1cn(-c2ccc(Cl)cc2)nn1 462373055 ZHQNHISMXXNPOF-UHFFFAOYSA-N 291.807 3.567 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 464399922 SYGJQRNLINRLAH-LNLATYFQSA-N 297.185 3.720 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccc(F)c(Cl)c1 466376330 GVFNXAKQUDTIHQ-GFCCVEGCSA-N 298.789 3.975 30 20 CHED CC#CCCCC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 466439609 ZLKWIWCKSPIQBM-QWHCGFSZSA-N 289.341 3.665 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)s1 466777858 MRXLFQHWKFIDAY-YPMHNXCESA-N 276.405 3.661 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 467319529 ZOSXJXGGWGXLDY-JKSUJKDBSA-N 261.409 3.840 30 20 CHED CCC[C@@H](C)[C@H](CC)NCCc1cccc(C#N)c1 467433386 PWWAMKGHLAZQHW-PBHICJAKSA-N 258.409 3.905 30 20 CHED C=CC1CCN(CC[C@H](C)OCc2ccccc2)CC1 475072057 XWRFWWJQDFFZDU-INIZCTEOSA-N 273.420 3.880 30 20 CHED N#Cc1ccc(OCCN(C#N)c2cccc(Cl)c2)cc1 478762933 QKNYFYVIWFOSDP-UHFFFAOYSA-N 297.745 3.578 30 20 CHED C=CCOCCCOc1ccc(OCC(F)(F)F)cc1 478817592 QXIGPKCJBBZOJP-UHFFFAOYSA-N 290.281 3.599 30 20 CHED C=C(C)CN(C)Cc1cc(Cl)c2c(c1)OCCCO2 481227844 MEDFCGFDFAMFOE-UHFFFAOYSA-N 281.783 3.509 30 20 CHED C=C(C)[C@@H](N[C@H](CC)C(=O)OCC)c1ccc(F)c(F)c1 481616601 VUNGHOLFZMDQOV-HUUCEWRRSA-N 297.345 3.513 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 483944898 CZASIZOVCLEKHT-ZDUSSCGKSA-N 260.356 3.709 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1ccc(C#N)s1 486638546 HLTRZMJWJDKHAX-UHFFFAOYSA-N 284.384 3.672 30 20 CHED Cc1nc(N2CCC[C@H]2CCc2ccccc2)ccc1C#N 488062915 ILWMYFQHUZWIFA-SFHVURJKSA-N 291.398 3.863 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1SCCc2ccccc21 488869535 RADKYMJRNCOKJZ-GDBMZVCRSA-N 287.428 3.584 30 20 CHED C=CCCCS(=O)(=O)N[C@@H](c1ccccc1C)C(C)C 489276863 JZJHNFCCWWXTFA-MRXNPFEDSA-N 295.448 3.578 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(Cl)c1F 489974725 ADANHMKXXABMTQ-UHFFFAOYSA-N 269.747 3.811 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1cc(C)oc1C 495173252 JSJDLUZQQVDZIZ-JSGCOSHPSA-N 276.380 3.708 30 20 CHED CC[C@H](Cc1ccccc1)N(CC)CC1(C#N)CC1 501540496 PTKBIEPDJVHDRI-MRXNPFEDSA-N 256.393 3.633 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@H](COc2ccccc2)C1 503305594 UOADVYZPKPSFOC-AWEZNQCLSA-N 296.345 3.603 30 20 CHED C=C(C)CCc1noc(COc2ccc(C)cc2C)n1 508629299 AWHWTIMSLNECEC-UHFFFAOYSA-N 272.348 3.774 30 20 CHED C=C(C)CCN(C)[C@@H]1CCCc2nc(CC)sc21 508962400 FPSXNKBLGGZYKW-CYBMUJFWSA-N 264.438 3.981 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)c1ncc(C#N)cc1Cl 513634443 AYJUPIQHDCBEMG-MFKMUULPSA-N 263.772 3.622 30 20 CHED COc1cc(Cl)c(Cl)cc1NC[C@@H](C#N)CCC#N 515833676 LPHATIJIOSBHIZ-SECBINFHSA-N 298.173 3.857 30 20 CHED CC[C@H](c1ccccc1)N(CC)Cc1ccc(C#N)cn1 519600036 AKASENLCZIFZRD-GOSISDBHSA-N 279.387 3.926 30 20 CHED C=C1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)CC1 520494591 VWKUNWBUSHWGDK-CYBMUJFWSA-N 293.794 3.594 30 20 CHED Cc1ccc(S[C@H](C)C(=O)N(CCC#N)C(C)C)cc1 522583269 PUFRBODPDSEYKO-CQSZACIVSA-N 290.432 3.626 30 20 CHED Cc1c(C(=O)NC2(C#N)CC2)oc2c1ccc1ccccc12 523158016 CYPILPKHCVXRLG-UHFFFAOYSA-N 290.322 3.680 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(C)cc1OC 525835381 VZFZIZLHAHVFOD-UHFFFAOYSA-N 288.391 3.596 30 20 CHED C=CCN(Cc1ccnc(C)c1)Cc1cccs1 527535326 UEPRNDHQQMPUIR-UHFFFAOYSA-N 258.390 3.640 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCCc1ccc(F)c(F)c1 530329177 WOUIOBMAISWKSM-GFCCVEGCSA-N 296.361 3.551 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c(F)c1 532990230 TYFKQCAROKBUBS-AAEZLKGMSA-N 284.378 3.612 30 20 CHED C=CCOCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 534048574 YGTBFJRIABWUIQ-QGZVFWFLSA-N 287.403 3.676 30 20 CHED Cc1ccccc1[C@@H](Nc1cccc(C#N)n1)C1CC1 534397173 JTEBFHFBDZUFSH-KRWDZBQOSA-N 263.344 3.825 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1OC(C)C 538422575 PGXKFCUOCYWHPH-AWEZNQCLSA-N 275.392 3.948 30 20 CHED C=C(CC)CSc1nnc(-c2ccccc2OC)n1C 539111882 OXUODPFHCDKHBL-UHFFFAOYSA-N 289.404 3.549 30 20 CHED CCN(Cc1cccc(OCC(C)C)c1)C[C@@H](C)C#N 540507029 KFJZSIMMHKFQQO-HNNXBMFYSA-N 274.408 3.703 30 20 CHED Cc1ccnc(N2CC[C@@H](c3ccccc3)[C@@H]2C)c1C#N 541280205 YTFMJIULAWLADJ-GOEBONIOSA-N 277.371 3.644 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)CC(C)(C)C1 542402327 TXPUGVPENSHIEE-LBPRGKRZSA-N 285.391 3.767 30 20 CHED C=CCC(C)(C)c1noc(CCCOc2ccccc2)n1 556362011 WRMCDIKOEFXQBN-UHFFFAOYSA-N 286.375 3.935 30 20 CHED C=CCOc1ccc(CNC(=O)[C@@H](C)[C@@H](C)CC)cc1 560708740 JOLHPEFJPVDIJZ-KBPBESRZSA-N 275.392 3.550 30 20 CHED C=CC(C)(C)C(=O)NCc1cccc(Br)c1C 563357078 FEGBXGSHZJHEGL-UHFFFAOYSA-N 296.208 3.586 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 569521341 NMCLSSWSGPCWMX-IBGZPJMESA-N 297.442 3.970 30 20 CHED C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1CC#N 573642849 ZQRFDXSCURYZML-CQSZACIVSA-N 278.355 3.570 30 20 CHED CC#CCN(C)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 574599686 NXDGTMGRCLDIPS-GFCCVEGCSA-N 297.320 3.681 30 20 CHED Cc1ccc([C@H](C)CNc2ccc(C#N)c([N+](=O)[O-])c2)cc1 574731675 FLMWIYYMUKTNCB-CYBMUJFWSA-N 295.342 3.991 30 20 CHED CCC(CC)N(CC)C(=O)CCc1ccc(C#N)cc1 576906372 GXSOKKXWYBLUAI-UHFFFAOYSA-N 272.392 3.528 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C)c(F)c2)cc1 577212170 WRUBUNBTHQRWFH-QGZVFWFLSA-N 296.345 3.691 30 20 CHED C=CCCCCNC(=O)c1ccc2c(c1)CCCCC2=O 583472267 ZLRNYVAHQDUYPK-UHFFFAOYSA-N 285.387 3.682 30 20 CHED CCSc1cccc(/C=C\C(=O)c2cnn(C)c2C)c1 588489195 BXBSGMBORGWQLR-HJWRWDBZSA-N 286.400 3.737 30 20 CHED Cc1ccoc1C(=O)/C=C\c1ccc(N(C)C(C)C)nc1 588580247 XPTPFSJHTGEJPP-ALCCZGGFSA-N 284.359 3.724 30 20 CHED CCCc1cnc(NC(=O)CCCCCC#N)s1 588669143 JRIHOGKHXZEUQG-UHFFFAOYSA-N 265.382 3.508 30 20 CHED Cc1cc(C#N)ccc1CN1Cc2ccccc2O[C@H](C)C1 590025137 VFDVRMCVUWKTFP-OAHLLOKOSA-N 292.382 3.650 30 20 CHED Cc1ccc(-c2ccc(O[C@H]3CCOC3)cc2)cc1C#N 592983699 HZBWEOKXQQIFDS-SFHVURJKSA-N 279.339 3.701 30 20 CHED CCN(CCc1ccc(C#N)cc1)Cc1ccc(OC)cc1 595299164 WXEDMXDDHKBUBH-UHFFFAOYSA-N 294.398 3.631 30 20 CHED Cc1cccnc1[C@H](N[C@@H](C#N)c1ccccc1)C(C)C 595370988 MRGHOHLYUNAFFK-DLBZAZTESA-N 279.387 3.942 30 20 CHED CCO[C@@H](CC)c1noc([C@@H](C)Cc2ccc(C#N)cc2)n1 596619806 CDVBBMWGWOUMAJ-WFASDCNBSA-N 299.374 3.775 30 20 CHED Cc1cccc(F)c1NC(=O)CC1(C#N)CCCCC1 597480914 OZNXQUSFECTKGB-UHFFFAOYSA-N 274.339 3.937 30 20 CHED C[C@H]1CCN(C[C@@H](O)CC(C)(C)C#N)CC12CCCCC2 598603802 GWSHSSIPCKAUBL-HOTGVXAUSA-N 292.467 3.579 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1nc(C)cc(C)c1C#N 598851810 CJNWGFGZVACXJW-CYBMUJFWSA-N 273.380 3.725 30 20 CHED Cc1c(NCC(C)(C)C)cccc1C(=O)NC1(C#N)CCC1 599181597 HTEXYKVOEXPLML-UHFFFAOYSA-N 299.418 3.629 30 20 CHED C[C@H](SC[C@@H]1CCO[C@@H]1C)c1cccc(C#N)c1 601053491 HFYKBVFUHAFSFI-XUJVJEKNSA-N 261.390 3.777 30 20 CHED N#CC1CCC(CNC(=O)C/C=C/Cc2ccccc2)CC1 602149616 IDRRMLMVJNYVBG-SNAWJCMRSA-N 296.414 3.622 30 20 CHED Cc1cc(C)c(CCNC[C@@H](C)CCC#N)c(C)c1 602520256 LZELCGROUSEBPI-ZDUSSCGKSA-N 258.409 3.684 30 20 CHED C[C@H](CCC#N)CNCc1ccc(OC(C)(C)C)cc1 602532540 VMANAGULBKZSOM-CQSZACIVSA-N 274.408 3.893 30 20 CHED COc1ccc2c(c1)CCC[C@@H]2CNC[C@@H](C)CCC#N 602614899 ARYCEAVIEJTCQC-GOEBONIOSA-N 286.419 3.645 30 20 CHED COc1cc2c(cc1Cl)CN(C[C@@H](C)CCC#N)CC2 602674048 CCHAEDAMIOBDCV-LBPRGKRZSA-N 292.810 3.647 30 20 CHED CCN(CCNc1ccc(C#N)cc1)c1ccccc1C 603860146 ROCBAVRTXADQQC-UHFFFAOYSA-N 279.387 3.805 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1C[C@H]1C1CCCCC1 607594003 PFQPFIMWYDYHIY-IRXDYDNUSA-N 299.414 3.950 30 20 CHED CC(=O)Nc1ccc(S[C@H](C#N)Cc2ccccc2)cc1 611012389 RAKJPJQDNJYAML-KRWDZBQOSA-N 296.395 3.872 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@H](C)c1ccc(F)cc1F 611030139 PABRLJRXMXEKOI-AAEUAGOBSA-N 294.345 3.513 30 20 CHED Cc1c(Cl)cccc1NC(=O)N1CCC[C@@](C)(C#N)C1 612290267 WOSJDFIEXRNKRW-HNNXBMFYSA-N 291.782 3.806 30 20 CHED COc1ccc(C#N)cc1NCc1ccc2cnccc2c1 618819393 ZHMJAYCIQLFARY-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C=CCC1(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)CCC1 619216064 YJBDMTBMFLPEIS-HZPDHXFCSA-N 269.388 3.795 30 20 CHED CCCC[C@H](SCc1ccc(C#N)cc1C)C(=O)OC 619460577 BWZZEMHJRWTYLP-HNNXBMFYSA-N 291.416 3.832 30 20 CHED CC#CCCCC(=O)Nc1ccccc1N(C)CCC 629594417 RTPJZCHJUNMYPX-UHFFFAOYSA-N 272.392 3.665 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1cc2ccccc2o1 647121229 VFFPZHWJTTUYJS-UHFFFAOYSA-N 271.360 3.694 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC(C)(C)CCCO 657909770 OTHMFRXUPXWORL-HUUCEWRRSA-N 253.430 3.510 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC1(CCOC)CC1 657929060 QERVLXAAKYRHKP-HUUCEWRRSA-N 251.414 3.528 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1Nc1cnn(Cc2ccccn2)c1 657956074 OOHSNZHAANIKFD-QAPCUYQASA-N 296.418 3.873 30 20 CHED C=CC[C@H]1CCCN(C[C@H]2CCCCN2C(C)C)C1 661383978 GPRDPEHYGPLDEM-DLBZAZTESA-N 264.457 3.537 30 20 CHED C=C(CC)CN[C@H](CO)c1cccc(Cl)c1Cl 662049913 CBQZSSNISWFZNH-GFCCVEGCSA-N 274.191 3.583 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Cc1ccc(OCC)cc1 662604832 GFSQWEJCYAUTMC-OAHLLOKOSA-N 289.419 3.689 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C)n2)C1 664332326 DPWUGHUSTVJKMY-CQSZACIVSA-N 273.380 3.518 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cnn([C@H](C)C2CC2)c1 666808591 OUITUYHFFOBKIL-GFCCVEGCSA-N 290.411 3.720 30 20 CHED C=CC[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2C)C1 668976647 RGVUKWSSIATSMM-OAHLLOKOSA-N 296.418 3.583 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cccc3ncccc23)no1 671155694 MXAUNCLBPXPBTQ-GFCCVEGCSA-N 295.342 3.939 30 20 CHED CC#CCCCC(=O)N1CCCC[C@@H]1c1ccccc1OC 680997599 KJSPJMCXBFHDTF-QGZVFWFLSA-N 299.414 3.942 30 20 CHED C=CCCOCC(=O)N(c1cnc2ccccc2c1)C(C)C 684153437 YGVPVXPCHSOAQV-UHFFFAOYSA-N 298.386 3.569 30 20 CHED CCC1(CC)CCCN(c2nc(C)ccc2C#N)C1 690348394 IUKHSQGSCFRSTF-UHFFFAOYSA-N 257.381 3.668 30 20 CHED C=CC[C@H](C)C(C)=NNc1oc(C(C)C)nc1C#N 727778281 AKVXPLAGACLFTP-JTQLQIEISA-N 260.341 3.670 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@@H]1CCCC)C(C)C 727945357 OSHMKXXVJHJJJT-GJZGRUSLSA-N 266.429 3.951 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCC[C@H]1CCC)C(C)C 728399784 HNYORTQDNOVHPV-HUUCEWRRSA-N 266.429 3.951 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(N(C)C)cc1)C2=O 729150825 NDKAZOZMJGRJSQ-PTNGSMBKSA-N 277.367 3.883 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cccc(C(F)F)c1 729345211 RRJPAUCLHGNLJL-UHFFFAOYSA-N 280.318 3.636 30 20 CHED CCCC[C@@H](CCC)OC(=O)COc1cccc(C#N)c1 730296788 BZFHGBUWSMGFRT-OAHLLOKOSA-N 289.375 3.839 30 20 CHED CCCNC(=S)NN=C(C)CCC1CCCCC1 731924726 IJAMQDNEORGOCJ-UHFFFAOYSA-N 269.458 3.597 30 20 CHED C=CCOc1ccccc1CNC(=O)CCCCCC 732017335 CUZLDPIYCMABGZ-UHFFFAOYSA-N 275.392 3.838 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNCc2ccccc2)o1 732764410 FFETYGWSDGIVSO-DOMZBBRYSA-N 254.333 3.527 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1ccccn1 732900873 XLUBEALOFOJXBG-HZPDHXFCSA-N 278.355 3.527 30 20 CHED c1ccc2c(c1)CCC(=NNc1cnnc3ccccc13)C2 733748440 XMIYFWPLJDKRPZ-UHFFFAOYSA-N 288.354 3.587 30 20 CHED CCOCCCON=C1c2ccccc2-c2ccccc21 742350519 FHIDFVDOIMYFFM-UHFFFAOYSA-N 281.355 3.863 30 20 CHED N#Cc1ccc(F)c(CNCc2cnc3ccccc3c2)c1 742381685 CPKZGZNFYFRXRW-UHFFFAOYSA-N 291.329 3.535 30 20 CHED CCCCCC[C@H](C)NN=Cc1c[nH]c2ncccc12 743450328 IKOHAUHELVAMLJ-ZDUSSCGKSA-N 272.396 3.845 30 20 CHED Cc1ccc(C=NNc2ccc(C(F)(F)F)cc2)nc1 746577822 HTTFORFJECXUHU-UHFFFAOYSA-N 279.265 3.855 30 20 CHED Cc1cscc1NC(=O)/C=C/c1ccccc1C#N 748088703 NCXPPLKYPQHSER-VOTSOKGWSA-N 268.341 3.580 30 20 CHED C[C@@H](C(=O)OCc1ccc(F)cc1C#N)C1CCCC1 750470718 DSEXFYYUGIAEQX-LLVKDONJSA-N 275.323 3.567 30 20 CHED O=C(O)c1ccc(NN=Cc2ccccc2C2CC2)cc1 751126761 DIMVJQJRZUUSCW-UHFFFAOYSA-N 280.327 3.708 30 20 CHED C=CCN(C(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C)C(C)C 753560256 WGZZSPFMTZTFMI-UHFFFAOYSA-N 290.407 3.686 30 20 CHED Cc1ccc2c(c1)C(=NNc1ccccn1)CCC2 753919032 SMEIMAGSYNKHGO-UHFFFAOYSA-N 251.333 3.543 30 20 CHED C=CCc1cc(CN2CCC[C@H](C)CC2)c(O)c(OC)c1 754720196 MIYINHYTGWGZEQ-AWEZNQCLSA-N 289.419 3.751 30 20 CHED Fc1ccc(C=NNCc2ccccc2)cc1C(F)(F)F 755563130 DQBKQPVILRXNDP-UHFFFAOYSA-N 296.267 3.968 30 20 CHED N#Cc1ccc2c(c1)CC/C(=C\c1ccccc1C#N)C2=O 755599328 AEHRZSXBNPSTIF-MHWRWJLKSA-N 284.318 3.642 30 20 CHED C=CCOc1ccc(C(=O)OCCCOC(C)(C)C)cc1 757037808 BBWCWDSRYZHQGW-UHFFFAOYSA-N 292.375 3.613 30 20 CHED C#CC[C@H](NC(=O)N1C[C@@H](C)CCC[C@H]1C)c1ccccc1 757059380 RELDPSWBLOQWNA-JZXOWHBKSA-N 298.430 3.971 30 20 CHED C=CC[C@H](NC(=O)N[C@H]1CCC[C@H]1CC)c1ccncc1 757207561 IKAZYUKOWBIIHK-KBMXLJTQSA-N 287.407 3.577 30 20 CHED CC1(C)CCC/C(=C\c2cccc3c2OCO3)C1=O 757535372 RNKWVKNBXGSZFM-FMIVXFBMSA-N 258.317 3.578 30 20 CHED C=CCCC(C)=NNC(=S)Nc1ccccc1C 758074121 RKOZHYNYWVNOAZ-UHFFFAOYSA-N 261.394 3.624 30 20 CHED CC#CCCOC(=O)CCc1ncc(-c2ccc(C)cc2)o1 760273776 MGUOZQOMXCTFBS-UHFFFAOYSA-N 297.354 3.539 30 20 CHED C#CCCCCc1nc(-c2cccc(Cl)c2F)no1 763294942 RFTYQISVJICBHZ-UHFFFAOYSA-N 278.714 3.875 30 20 CHED C1CCC(C2CCC(=NN[C@@H]3CCCOC3)CC2)CC1 766478410 PSQOCQFTMNFQFY-OMOCHNIRSA-N 278.440 3.882 30 20 CHED C/C(=C/c1c(Cl)cccc1Cl)C(=O)O[C@H](C)C#N 766794819 QSJAAGOLDMMTDJ-JGAIRUGNSA-N 284.142 3.852 30 20 CHED C#CCCCN(C)[C@@H](C)c1ccccc1Br 766896598 UQVZIIJMFUJVJT-LBPRGKRZSA-N 280.209 3.855 30 20 CHED COc1cccc(/C=N\[C@H]2CCCc3sccc32)c1O 767335802 APXOFTNMILKTOG-NWRYFCBHSA-N 287.384 3.959 30 20 CHED CC[C@H](SC)C(=O)OCc1ccccc1C(C)(C)C#N 767671116 BCMPZQWILQUXDG-AWEZNQCLSA-N 291.416 3.673 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](F)c1ccccc1 768990605 YTXCCVRIFNNSCI-OAHLLOKOSA-N 268.291 3.516 30 20 CHED C#CCCOc1ccc(CN(C)CCc2cccs2)cc1 769499213 OTVGDAYQJVPKCE-UHFFFAOYSA-N 299.439 3.825 30 20 CHED O=C1CCCN1N=Cc1ccc(-c2ccc(Cl)cc2)o1 769593999 VKUFXJMMFUUQNO-UHFFFAOYSA-N 288.734 3.556 30 20 CHED C=CC[C@H](NC(=O)CCCC(F)(F)F)c1ccncc1 770735257 SGYOBHVCWUZIMP-LBPRGKRZSA-N 286.297 3.548 30 20 CHED C=CCN(C(=S)Nc1cc(C)ccc1C)C1CC1 771548656 OAWPKVGKDWMATJ-UHFFFAOYSA-N 260.406 3.651 30 20 CHED C#CCOC(=O)c1cccc(-c2ccccc2OCC)c1 772129102 ORSXGPPJNUOCHB-UHFFFAOYSA-N 280.323 3.542 30 20 CHED CCCCCCCN[C@@H](C)c1cc(C(=O)OC)co1 774275771 YMDVITDKVLPXHU-LBPRGKRZSA-N 267.369 3.687 30 20 CHED N#Cc1ccc(F)cc1Cn1nc(Cl)c2ccccc21 775679473 DEEAXRPGCIIOPV-UHFFFAOYSA-N 285.709 3.749 30 20 CHED C#CC[C@@H](NC(=O)N[C@@H](C)CCCC=C)c1ccccc1 775756119 XTHNLTDVYRCYDK-DOTOQJQBSA-N 284.403 3.795 30 20 CHED COC(=O)c1ccccc1NN=C/C=C/c1ccccc1 776189319 FZQFSZYHZZWZPL-XKBVOMFJSA-N 280.327 3.584 30 20 CHED C=C(C)COC(=O)c1coc(-c2ccccc2Cl)n1 776442311 FOCFRRDQICJRBP-UHFFFAOYSA-N 277.707 3.728 30 20 CHED Cc1ccc(F)cc1C=NNCc1cc(F)ccc1F 777882700 HEPIVCUFGYCDAY-UHFFFAOYSA-N 278.277 3.536 30 20 CHED Cc1ccc(F)cc1/C=C1/COc2ccccc2C1=O 777911650 KGMDXJIRQQLOQW-JYRVWZFOSA-N 268.287 3.793 30 20 CHED C=CCCOC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1 778146642 OHMCTFQUBIXSAN-UHFFFAOYSA-N 290.750 3.567 30 20 CHED CC(=NNc1ccccc1Cl)[C@H]1CCCOC1 779752125 HLIQBKXMRCXSTH-NSHDSACASA-N 252.745 3.554 30 20 CHED C#CCCCCCC(=O)N(Cc1ccc(C)o1)C1CC1 779852392 KTDVGOSRCSYWAS-UHFFFAOYSA-N 273.376 3.663 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\C[C@@H]1CCC=CO1 780149903 POFVEEZIVLHESH-FQKZPNAISA-N 286.158 3.811 30 20 CHED CC(C)c1ccc(C=NN[C@H]2CCOC(C)(C)C2)cc1 780250255 LNSBIZVHSYKQEU-INIZCTEOSA-N 274.408 3.691 30 20 CHED CCSCCC=NNc1nc2ccccc2s1 781115588 QQKLQEDRGQKPHB-UHFFFAOYSA-N 265.407 3.837 30 20 CHED O=C1/C(=C\c2cc(Cl)cs2)Oc2cc(O)ccc21 782321862 CFHXSYYVIPJURS-LFYBBSHMSA-N 278.716 3.723 30 20 CHED C[C@H](C#N)OC(=O)CC(C)(C)Cc1ccc(Cl)cc1 782391838 MVIUTNJQGYLTHW-LLVKDONJSA-N 279.767 3.754 30 20 CHED CC(=NNc1ncccc1[N+](=O)[O-])c1csc(Cl)c1 787163447 RBTTVPUFKDSCJA-UHFFFAOYSA-N 296.739 3.541 30 20 CHED C#CCC1(C(=O)N2CCCc3ccccc32)CCCCC1 788422489 WUELPFYEOZUMCO-UHFFFAOYSA-N 281.399 3.940 30 20 CHED C#CCC1(C(=O)Nc2ccc(Cl)nc2)CCCCC1 788432013 XQDCIKLMMGDSHU-UHFFFAOYSA-N 276.767 3.647 30 20 CHED CC(C)(C)c1ccc(C=NN[C@H](CO)c2ccccc2)cc1 788454572 HZBCGLIUKBFNBC-GOSISDBHSA-N 296.414 3.641 30 20 CHED CCSc1cccc(/C=C\C(=O)c2cc(C)nn2C)c1 789155529 BCZSFSHIIYFEQW-HJWRWDBZSA-N 286.400 3.737 30 20 CHED C#CCCN(Cc1cc2ccccc2[nH]1)CC(F)(F)F 789748930 BRAGQTAJJDDGCT-UHFFFAOYSA-N 280.293 3.556 30 20 CHED Cn1c(C=NN2CCC(C(C)(C)C)CC2)nc2ccccc21 790180498 HAJHRFXGOGNLTM-UHFFFAOYSA-N 298.434 3.665 30 20 CHED Cc1cccnc1NN=Cc1ccccc1C(F)(F)F 790189672 CATLTOPKJJUXBD-UHFFFAOYSA-N 279.265 3.855 30 20 CHED O=C(/C=C\c1ccc(OCC2CC2)cc1)c1cscn1 790225521 PSZKRWRQLVQZHJ-YVMONPNESA-N 285.368 3.828 30 20 CHED C[C@@H]1CC(=NNc2nccn2C)C[C@H](c2ccccc2)C1 790299947 KVYCGLXESYWEAS-DZGCQCFKSA-N 282.391 3.792 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 790905062 AIKAKWZKJNMFJU-CQSZACIVSA-N 286.419 3.676 30 20 CHED COc1ccc2[nH]cc(C=NN[C@H](C)C(C)(C)C)c2c1 793118048 ZUGNJWKEEKBAQP-LLVKDONJSA-N 273.380 3.535 30 20 CHED CCC(CC)(C/N=C\c1cc(Cl)ccc1O)OC 793666572 GYFPORQAKUHIHB-SXGWCWSVSA-N 269.772 3.670 30 20 CHED C[C@@H]1COCC[C@H]1C/N=C/c1c(O)ccc2ccccc12 794677971 YSMWDGKRTOJUQA-RNCGYYIHSA-N 283.371 3.637 30 20 CHED C[C@H]1CSCC1=NNc1cccc2ccccc12 794899810 REKUQGFLRXHLNC-NSHDSACASA-N 256.374 3.991 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2snc(Cl)c2C#N)C1 795289221 ZHPGLZMROSLJCK-SECBINFHSA-N 283.828 3.931 30 20 CHED C=C(C)CCSCc1ccccc1CC(=O)OC 795390100 JOCAQZPXFKQVLO-UHFFFAOYSA-N 264.390 3.602 30 20 CHED C=CCCCCCOC(=O)C[C@@H]1CCC[C@H](OC)C1 796070231 VWCSWMHDAZUWLK-CABCVRRESA-N 268.397 3.871 30 20 CHED Cc1nn(C(C)C)cc1/C=C1\CCOc2ccccc2C1=O 798370424 MLANQYGCBHXOLW-GXDHUFHOSA-N 296.370 3.821 30 20 CHED C#C[C@@H](NC(=O)N(C)Cc1ccc(C(C)C)cc1)C(C)C 798552414 OGTUYAYIZPJBSS-QGZVFWFLSA-N 286.419 3.609 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@H]1Cc2ccc(F)cc21 799441342 UZGQNVLNZDKOOF-INIZCTEOSA-N 295.313 3.505 30 20 CHED CCO[C@H]1CCCC1=NNc1c(C)cccc1CC 799492621 RBJGAPGLJQDCBY-HNNXBMFYSA-N 260.381 3.914 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(-c2csc(C)n2)cc1 799729362 KNPRFYUMRXGXOD-OAHLLOKOSA-N 298.411 3.650 30 20 CHED c1cc2c(c(NN=C3CCC34CCOCC4)c1)CCCC2 799876282 MQXSKUXWUAVSTR-UHFFFAOYSA-N 284.403 3.924 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cnn(C(C)C)c2)c(O)c1 799895276 OERYZSASYUUMSA-AATRIKPKSA-N 284.359 3.683 30 20 CHED CC#CC(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1 801143400 DVAHEFFDTKUPPN-UHFFFAOYSA-N 297.329 3.566 30 20 CHED CC(C)CN(CCO[C@H](C)C#N)c1ccc(Cl)cc1 801935233 XARAUHJVKCNJJT-CYBMUJFWSA-N 280.799 3.731 30 20 CHED C[C@@H](C#N)OCCSCC[C@@H]1CCC[C@@H](C)C1 802751220 GTYISFPOAAIMKK-RDBSUJKOSA-N 255.427 3.865 30 20 CHED C#CCCCCCC(=O)NCc1ccc(CSC)cc1 803593541 XJKFYVUOXSCCIU-UHFFFAOYSA-N 289.444 3.750 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccc(CC)s1 804835649 VBRDGRWIOXVXFB-UHFFFAOYSA-N 283.396 3.586 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 805159546 ITAASKXHTNSKMS-GOSISDBHSA-N 298.430 3.551 30 20 CHED C(CCC1CC1)=NNc1ncnc2sc3c(c12)CCC3 807948317 DTVLNSZQLFCVNX-UHFFFAOYSA-N 286.404 3.768 30 20 CHED CC(C)CCOc1ccc(C=NN[C@@H]2CCSC2)cc1 808001504 CNJYGHVDHYAEQO-OAHLLOKOSA-N 292.448 3.541 30 20 CHED Cc1cc(OC(=O)c2cc(C#N)cs2)c(C)c(C)c1C#N 809033049 CULKCDADWPEABI-UHFFFAOYSA-N 296.351 3.636 30 20 CHED CCc1onc(C)c1NCc1ccc(N(C)CCC#N)cc1 809424168 MJKFFTDBXWWBJJ-UHFFFAOYSA-N 298.390 3.507 30 20 CHED Fc1ccc(C=NOC/C=C\Cl)c(C(F)(F)F)c1 811668039 JXUSYQWKRAZYHC-VXNKSQPXSA-N 281.636 3.948 30 20 CHED Cc1ccc2c(c1)SCC2=NOC/C=C/Cl 811672393 XXCYKXFTWMXAKI-LUYUOEGPSA-N 253.754 3.574 30 20 CHED CC(=NNc1ccccc1F)c1ccc([N+](=O)[O-])cc1 812458606 HCRZIVOZIWCOPI-UHFFFAOYSA-N 273.267 3.570 30 20 CHED C(CC1CCCCC1)=NNc1nncc2ccccc12 814705496 CZSVXOGYDIBFQP-UHFFFAOYSA-N 268.364 3.998 30 20 CHED Oc1c(C=Nn2cnc3ccccc32)ccc2ccccc12 814779982 WMWPXPVFGIYWPC-UHFFFAOYSA-N 287.322 3.777 30 20 CHED CCCC(=NNc1ccc2[nH]ncc2c1)c1ccccn1 814900539 XUVVOWMTZNBDJX-UHFFFAOYSA-N 279.347 3.574 30 20 CHED CCOc1ccc(NN=Cc2cnc(Cl)c(C)c2)cc1 814985259 YWEMUSRYALUZFA-UHFFFAOYSA-N 289.766 3.888 30 20 CHED C=CCC(C)(C)CNCc1ccc(O[C@@H](C)C#N)cc1 815142017 MBAQLIVQBXNIMJ-AWEZNQCLSA-N 272.392 3.669 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCC1CCC(C)(C)CC1 815339530 QRRGZWNXCLGPIN-UHFFFAOYSA-N 286.375 3.635 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CC2CCC1CC2 816016760 ZQVFFJAOWLTNFV-XSCHDIRWSA-N 298.386 3.742 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc3oncc3c2)c1 821028865 YAUPIDMRGSOPQC-FNORWQNLSA-N 279.295 3.733 30 20 CHED C[C@H]1CC(=NNc2nc3ccccc3s2)C[C@@H](C)O1 834914138 KXJPMQJHWWPWLH-AOOOYVTPSA-N 275.377 3.652 30 20 CHED C1CCC(OC2CCC(=NNC[C@@H]3CCSC3)CC2)C1 834979080 FQAYHPHHDQUFOA-KNVGNIICSA-N 296.480 3.587 30 20 CHED Fc1ccccc1CNN=C1CC[C@@H]2CNc3cccc1c32 835010701 ILZBICCRDQBSPB-CYBMUJFWSA-N 295.361 3.623 30 20 CHED CC(C)c1ccc(NN=Cc2c(Cl)cnn2C)cc1 835018033 DXPREOROVUKNHP-UHFFFAOYSA-N 276.771 3.643 30 20 CHED C[C@H](CC#N)OC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 835158189 CERGQJPYRRYLIG-FVQBIDKESA-N 271.360 3.806 30 20 CHED CC(C)(C(=O)OCC1(C#N)CC1)c1cccc2ccccc12 835414893 QFMVQDTZAKFDSR-UHFFFAOYSA-N 293.366 3.964 30 20 CHED C=CC(C)(C)COC(=O)Cc1csc(-c2ccoc2)n1 835725027 VDDAFNOJISTHJO-UHFFFAOYSA-N 291.372 3.701 30 20 CHED C#Cc1ccc([C@H](OC(=O)[C@@H](C)C2CC2)C(F)(F)F)cc1 836081222 RHVZQVCRGQVCFQ-HZMBPMFUSA-N 296.288 3.861 30 20 CHED C#CCC(C)(C)C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C 837871331 WXALRYDRMXXRMW-HZPDHXFCSA-N 283.415 3.592 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H](CC)c1ccc(OC)cc1 839038049 BCMLTBVWMCGSGR-BBRMVZONSA-N 274.360 3.534 30 20 CHED CCCCS[C@H](C)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839048119 LEJCSBDUYQEPMC-UPJWGTAASA-N 269.410 3.534 30 20 CHED C=C(CC)CN1CCC(Oc2ccc(Cl)cn2)CC1 839202140 CXJBWKOPWJKMKN-UHFFFAOYSA-N 280.799 3.544 30 20 CHED N#Cc1ccccc1/C=C\C(=O)Nc1ccc2ccccc2n1 843151483 CTWRMQDTMXPLKG-BENRWUELSA-N 299.333 3.758 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccnn1CC(C)C 843267427 BRUKFVVIGGXFKR-SNAWJCMRSA-N 290.388 3.505 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@H](F)C1 845199795 DSSQVMZLWAYKIW-AWEZNQCLSA-N 270.392 3.657 30 20 CHED CC(C)CN(CCC#N)C(=O)CCCc1ccc(F)cc1 847398803 KPARRWACXYGNAT-UHFFFAOYSA-N 290.382 3.547 30 20 CHED CC[C@@H](CNc1ccc(F)cc1OCC#N)CC(F)F 849315576 ZSXSQDOJGUBASZ-SNVBAGLBSA-N 286.297 3.821 30 20 CHED C=CCCNCc1c(C)nn(-c2ccc(F)cc2)c1Cl 850354407 GRLACPPBFSIIHO-UHFFFAOYSA-N 293.773 3.639 30 20 CHED C=CCC1(C(=O)O[C@@H](C)c2cn(C(C)C)nn2)CCCC1 851231876 HCHMLPDGQIHLRC-ZDUSSCGKSA-N 291.395 3.600 30 20 CHED N#CC1(CC(=O)OC/C=C/C(F)(F)F)CCCCC1 851291926 YIAJLOGZCPIOSH-QPJJXVBHSA-N 275.270 3.512 30 20 CHED C=CC(C)(C)CCOC(=O)Cc1ccc(C(C)=O)cc1 851298904 QZWWXABNQMYNIP-UHFFFAOYSA-N 274.360 3.577 30 20 CHED CO[C@H](C=NNc1ccc(C(F)(F)F)cc1)C1CC1 853323114 QBGRQFYXZOMLFL-GFCCVEGCSA-N 272.270 3.528 30 20 CHED CC(=NNc1cnnn1C)[C@H](C)c1ccc(CC(C)C)cc1 853352280 OGSOVZGXEPIDRS-ZDUSSCGKSA-N 299.422 3.605 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccc(C)c(F)c1 853438985 WKSAKCRAEXJPOY-LBPRGKRZSA-N 264.344 3.739 30 20 CHED C#CCCCC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 855381654 GDVHCGGIDVFTDW-UHFFFAOYSA-N 296.197 3.682 30 20 CHED CCC(=NNc1cc(C)ncn1)c1cc(C)ccc1C 863093188 BTPBCAVAHFUQES-UHFFFAOYSA-N 268.364 3.628 30 20 CHED CC(C)(C#N)CCCCOC(=O)[C@H]1CCOC2(CCC2)C1 885668764 ZGTBLRBXOMKWTM-AWEZNQCLSA-N 293.407 3.599 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(-c2ccon2)cc1 886956053 QGRTVKWJLDUDBW-UHFFFAOYSA-N 270.332 3.882 30 20 CHED CCCCCCCCCC(=O)N(C)c1nccnc1C 893289752 FWCFKRFSSWWYGP-UHFFFAOYSA-N 277.412 3.889 30 20 CHED N#C[C@@H](NC(=O)c1ccc2ccccc2c1)C1CCCC1 893703686 GHYRQXVWEHZALS-QGZVFWFLSA-N 278.355 3.652 30 20 CHED N#C[C@H]1CCCN(c2cc3ccc(F)cc3c(Cl)n2)C1 895650574 WQVGCDAUGJOWQG-SNVBAGLBSA-N 289.741 3.767 30 20 CHED C=C1CCC(C(=O)NCCCc2c[nH]c3ccccc23)CC1 896257803 JCZGLWSZWOZXRH-UHFFFAOYSA-N 296.414 3.963 30 20 CHED N#CCCN(CC1CC1)C(=O)CCCCc1ccccc1 896860204 LLNQIJWJKOSMNO-UHFFFAOYSA-N 284.403 3.552 30 20 CHED C=C1CCC(C(=O)N(C)[C@@H](C)c2cccc(O)c2)CC1 896883713 SPVCRQURZXBTMV-ZDUSSCGKSA-N 273.376 3.658 30 20 CHED C=C1CC(c2noc(COc3cccc(Cl)c3)n2)C1 896890497 RQBHHSFEFKYJNI-UHFFFAOYSA-N 276.723 3.736 30 20 CHED C=C1CN(C(=O)c2coc3ccc(C(C)C)cc23)C1 898703156 CEUBMTWAYCDKTL-UHFFFAOYSA-N 255.317 3.568 30 20 CHED CC(=O)c1ccc(C(=O)OCCCCC2(C#N)CCC2)cc1 908911599 RPHNNHAVDKJVDA-UHFFFAOYSA-N 299.370 3.910 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1ccc(C#N)cc1 915961973 LOSHBCXFJHZTBT-UHFFFAOYSA-N 274.327 3.794 30 20 CHED CCCCCCCCCN(C)C(=O)NC[C@H]1CCCO1 918318726 UBAQULZHYGZWDG-OAHLLOKOSA-N 284.444 3.557 30 20 CHED C=CCOc1ccc(C(=O)OCC/C=C\CC)cc1OC 918507301 KAZCEDDLAKMYMW-SREVYHEPSA-N 290.359 3.773 30 20 CHED C#Cc1cccc(NC(=O)CC(C)(C)c2ccccc2)c1 921278331 UFBLFXHYOHVJEX-UHFFFAOYSA-N 277.367 3.974 30 20 CHED C=CC(C)(C)c1nc(-c2ncccc2SCC)no1 924415012 MIPQZHIEILKEHY-UHFFFAOYSA-N 275.377 3.707 30 20 CHED COc1cccc2c1CC[C@@H]2N[C@@H](C)CC(C)(C)C#N 925272199 SHXIKMGTMYNHSX-WFASDCNBSA-N 272.392 3.600 30 20 CHED C#CC[C@H](N[C@H](C)C1(Br)CC1)c1ccccc1 925634016 HRDUIKMAJQZTFW-OCCSQVGLSA-N 292.220 3.657 30 20 CHED C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](C#N)C1 932156757 OZHUDUBDCSHCOA-ZIAGYGMSSA-N 281.359 3.638 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@](C)(CC)c1nc(C)cs1 933480959 XMEXSDYMICJJIZ-SWLSCSKDSA-N 280.437 3.795 30 20 CHED Cc1cccc(C2=CCN(C[C@@H](C#N)CCC#N)CC2)c1C 934845945 HGDVHOZETPYHPS-QGZVFWFLSA-N 293.414 3.836 30 20 CHED C=CCn1cnn(CN2CCC[C@@H]2CCCCC)c1=S 1116303284 HUTLMSGIOMOHGJ-AWEZNQCLSA-N 294.468 3.602 30 20 CHED CC1(C)C[C@H](NC2CC(C#N)(c3ccccc3)C2)C(C)(C)O1 1116721346 GQECAZNHJGMLGO-WUJZJPHMSA-N 298.430 3.546 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2cc(C#N)ccc2F)C1 1129520726 VDDHKEALCLYSFP-LBPRGKRZSA-N 275.323 3.823 30 20 CHED Cc1nsc(NCc2ccc(-c3cnco3)cc2)c1C#N 1164293793 GKDGMVTXYYLXJJ-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C[C@@H](CCC#N)CN1CCN(Cc2ccccc2)C(C)(C)C1 1180189185 ODGLGGVVPJWKHY-KRWDZBQOSA-N 299.462 3.523 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 1197550431 ULCSKZFUCONFMD-CABCVRRESA-N 285.391 3.896 30 20 CHED Cc1cc(/C=C2\CCc3c(Cl)cccc3C2=O)n(C)n1 1261372594 BLYOQAZJGXPFHM-PKNBQFBNSA-N 286.762 3.594 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(C)C[C@@H](C)CC 1286620921 WHLCMVIHMUWGHL-NSHDSACASA-N 284.835 3.636 30 20 CHED N#Cc1cccc(NC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1 1310076619 NNIFKTXHZWNERB-GOEBONIOSA-N 283.375 3.506 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(C(C)(C)C)cc1 1320303623 STMSIHKAHIMXLD-CJNGLKHVSA-N 261.409 3.836 30 20 CHED N#Cc1ccnc(/C=C\c2ccc(OC(F)F)cc2)c1 1324934767 ZBVCCXDGDSYEJR-RJRFIUFISA-N 272.254 3.725 30 20 CHED CC1=CCC[C@H](C)[C@@H]1CNc1ccc(OCC#N)cc1 1325775921 KQTYKPFSTVKWOU-WMLDXEAASA-N 270.376 3.993 30 20 CHED C=C[C@H](COC)NCc1cccc(OCc2ccccc2)c1 1338091868 ABTXXVXCAWFZJT-GOSISDBHSA-N 297.398 3.556 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCC(F)F)c1 1338175003 ZXOQTOWVVGOHRA-UHFFFAOYSA-N 264.197 3.644 30 20 CHED C#CC[C@H](C)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1343309150 MKYXRYFIRNYQHL-JTQLQIEISA-N 275.735 3.698 30 20 CHED C#CCN(CC1CC1)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 1343600324 ZLWSNMWTCNSCCI-GOSISDBHSA-N 296.414 3.501 30 20 CHED CC(C)c1ccc(C(=O)O[C@@H](CC#N)c2ccco2)nc1 1347949594 ZLJCGAOBUHOFOY-HNNXBMFYSA-N 284.315 3.610 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)o1 1349996362 ANLSLLVGQAKNFD-WFASDCNBSA-N 297.358 3.529 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(C#N)cc1F 1457368152 GODZNMMVKXHZLT-IAQYHMDHSA-N 288.366 3.642 30 20 CHED CCN(C(=O)c1cc(C)co1)c1ccc(C#N)c(Cl)c1 1458040356 WBGCYRWZYZFHGQ-UHFFFAOYSA-N 288.734 3.780 30 20 CHED C[C@H]1CCC[C@H](Nc2nc(C#N)c(Cl)s2)C1 1458096972 VYGSVMOBNIZQQX-YUMQZZPRSA-N 255.774 3.659 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCC2CC(F)(F)C2)n1 1473048192 KILKLJFWVCOPEL-UHFFFAOYSA-N 280.318 3.675 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C#N)ccc1F 1516965612 YMFIKXQQRTTXAE-BBRMVZONSA-N 288.366 3.738 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@@H](C)CC1CCCCC1 1520036080 JNIIAEJAHDLDJB-DZGCQCFKSA-N 287.407 3.686 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1526914274 MBEMBAMWKGBHAA-LLVKDONJSA-N 290.432 3.975 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(SCCOC)cc1 1527658269 DUAZVTLGZQVJFC-ZDUSSCGKSA-N 293.432 3.569 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)CC(C)(C)C 1530315510 CKTNXHKKSNPSFY-CABCVRRESA-N 278.440 3.991 30 20 CHED Cc1cc(N[C@H]2CCC[C@@H]2C(C)(C)C)ncc1C#N 1559209504 DDHSVVVXLWALNU-KBPBESRZSA-N 257.381 3.888 30 20 CHED N#Cc1ccc(CCN2CCCCc3ccccc32)cc1 1559602606 SYJMYVIYVHMAKQ-UHFFFAOYSA-N 276.383 3.944 30 20 CHED CC(C)n1c(CNCC(C)(C)CC#N)nc2ccccc21 1560500242 HNQWRDQZRZIAOE-UHFFFAOYSA-N 284.407 3.647 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2nsc3ccccc23)c1 1588165396 ZCVSPULWYXLVPA-UHFFFAOYSA-N 297.314 3.559 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)O)c(F)c1 1588770527 ANXBHXOVHASSGZ-CZUORRHYSA-N 291.366 3.748 30 20 CHED Cc1cc(CNc2cccc([C@@H](C)C(=O)O)c2)ccc1C#N 1610458970 ANGSFTYBHZGZST-CYBMUJFWSA-N 294.354 3.667 30 20 CHED C[C@@H](CCC#N)Sc1nccn1-c1cccc(F)c1 1613352990 DNMRSLADWDOXGB-NSHDSACASA-N 275.352 3.796 30 20 CHED COc1cc(C#N)ccc1CN[C@@H]1CCC(C)(C)C[C@@H]1C 1617401679 OLWQPWAGHUAIJB-XJKSGUPXSA-N 286.419 3.871 30 20 CHED C[C@H]1Cc2cc(Nc3nc(Cl)c(C#N)s3)ccc2O1 1651471169 UDTRGTYSAXJSIS-ZETCQYMHSA-N 291.763 3.735 30 20 CHED N#Cc1cc(CSCc2ccncc2)ccc1F 1652237749 XAUHOCZTKDQLHX-UHFFFAOYSA-N 258.321 3.526 30 20 CHED COCCN(Cc1ccc(C)c(C)c1)C[C@H](C)CCC#N 1658918757 WMLFYODCTUFKLK-OAHLLOKOSA-N 288.435 3.692 30 20 CHED Cc1cc(C#N)cc(NCC2Cc3ccccc3C2)c1 1660019391 JDLRPVGNPFYWFK-UHFFFAOYSA-N 262.356 3.694 30 20 CHED COc1ccc(C#N)cc1NC(=O)N[C@@H](C)CC(C)(C)C 1666485981 LHCFOSHJSZWVSU-NSHDSACASA-N 289.379 3.513 30 20 CHED C=C(CNC(=O)N1CCC(CCC)CC1)c1ccccc1 1683122011 USLZXYYXTQDJGO-UHFFFAOYSA-N 286.419 3.922 30 20 CHED O=C(O)c1ccc(NN=C/C=C/c2cccc(F)c2)cc1 1776012284 NGNKCZBXBGTJRF-NZQYLKDUSA-N 284.290 3.635 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(C)c(C(=O)O)c2)c1 1776026305 OETRJXCWCJCKDW-UHFFFAOYSA-N 282.343 3.756 30 20 CHED O=C(O)c1cc2c(C=NOC3CCC3)c(F)ccc2s1 1776079483 DNZBXIQZSXAUII-UHFFFAOYSA-N 293.319 3.642 30 20 CHED O=C(O)Cc1ccc(NN=C2C3CC4CC(C3)CC2C4)cc1 1776083463 IDUROIOILHVFKA-UHFFFAOYSA-N 298.386 3.538 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)[C@@H]1CC1(C)C 1776088586 VZJQOBRPXLAXQO-LBPRGKRZSA-N 274.364 3.917 30 20 CHED Cc1c(NN=CC2CC3(CCC3)C2)cccc1C(=O)O 1776089719 DYAUQZZBRQXBTI-UHFFFAOYSA-N 272.348 3.671 30 20 CHED O=C(O)c1ccc2scc(C=NOCC3CCC3)c2c1 1776093169 BTTFMTKLSNFZIH-UHFFFAOYSA-N 289.356 3.750 30 20 CHED C=C(C)C[C@H](NCc1ccc(SC)c(Cl)c1)C(=O)O 1776137946 FZBSUQFDQICXOO-LBPRGKRZSA-N 299.823 3.571 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(c2ncc(C(C)C)s2)C1 1776157860 YVYFUJHGHISGDQ-HNNXBMFYSA-N 294.420 3.514 30 20 CHED C=C(C)CN(CC)C(=O)CCc1c[nH]c2ccccc12 35133901 ZMSAPTBXXCQVNR-UHFFFAOYSA-N 270.376 3.525 30 20 CHED C[C@@H](Cc1cccs1)N[C@H](C)c1ccc(C#N)cc1 36992914 OMLLKUSQRNZXAB-QWHCGFSZSA-N 270.401 3.902 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCc1ccccn1 37333940 KUYAIJWEKNEYFY-UHFFFAOYSA-N 277.249 3.584 30 20 CHED Cc1nn(C)cc1C(=O)/C=C\c1ccccc1C(F)(F)F 47380216 INXWVUZSOAMNSV-FPLPWBNLSA-N 294.276 3.643 30 20 CHED CCN(C(=O)Nc1cccc(C#N)c1)C1CCCCC1 48683184 KISBPQXMQQVECK-UHFFFAOYSA-N 271.364 3.745 30 20 CHED CCC1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 48695388 UHGVJMDQPYYHNT-UHFFFAOYSA-N 291.782 3.866 30 20 CHED CCc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)o1 51723039 HWGJUBWOTFILFM-LBPRGKRZSA-N 254.333 3.564 30 20 CHED CCCCN(C)CC1CCN(Cc2ccccc2C#N)CC1 52208944 IDCYRKVKNAVRBJ-UHFFFAOYSA-N 299.462 3.502 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2cc(C)cc(C)c2)CC1 55115692 AZGRZMVRMASXJA-UHFFFAOYSA-N 271.404 3.760 30 20 CHED C=C(C)CN(CC)C(=O)CCSc1ccccc1F 55206874 MWYVFFSPWGARMQ-UHFFFAOYSA-N 281.396 3.733 30 20 CHED CC(C)COc1cccc(NC(=O)c2ccc(C#N)cc2)c1 55467990 JTJVLBVZEVTVBU-UHFFFAOYSA-N 294.354 3.845 30 20 CHED Cc1ccc(N(C)C(=O)CCc2ccc(C#N)cc2)c(C)c1 55851302 DPLATAOTFPXUSZ-UHFFFAOYSA-N 292.382 3.771 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCc2cc(C)ccc21 56841860 KGHJOVKYAFWZLK-MRXNPFEDSA-N 272.392 3.590 30 20 CHED CC(C)(C)c1ccc(Nc2ccnc(C#N)c2)cc1 61814788 YLZDJCOUPDMPPC-UHFFFAOYSA-N 251.333 3.994 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccc(F)cc1 65775845 JEFBRVICQJXAKY-UHFFFAOYSA-N 283.346 3.697 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 68933291 FURANEYJSZUDEN-UHFFFAOYSA-N 296.370 3.570 30 20 CHED N#CCCCSc1nc2cc(Cl)ccc2o1 71793642 TXBQYAUVAKZSBK-UHFFFAOYSA-N 252.726 3.877 30 20 CHED CCCCCCNCc1ccc(N(C)CCC#N)cc1 72658989 VVBUROHYYSFOFK-UHFFFAOYSA-N 273.424 3.706 30 20 CHED N#CC1(C(=O)Nc2ccccc2OCC2CC2)CCCCC1 76932475 GBWLVGODCQJXIL-UHFFFAOYSA-N 298.386 3.888 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CS[C@@H](C)c1cccs1 77961096 STHBKOJSAQQCHQ-RYUDHWBXSA-N 296.461 3.550 30 20 CHED N#Cc1cc(F)ccc1N[C@@H](CCCO)c1ccccc1 78302190 BLWBTNROUGYUEG-INIZCTEOSA-N 284.334 3.623 30 20 CHED C[C@@H]1Sc2sccc2C(=O)/C1=C/c1cccnc1 78696219 ZYDPTQJDBHFOGW-SZUMLMDFSA-N 273.382 3.904 30 20 CHED COCc1ccccc1NCCCOc1ccc(C#N)cc1 79160351 CJXNFWIQFKVTNM-UHFFFAOYSA-N 296.370 3.586 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C 79263171 ARXJKUITEKAOHU-UHFFFAOYSA-N 294.398 3.893 30 20 CHED CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 79440680 MUJKWFYIZIWMKU-AWEZNQCLSA-N 299.761 3.747 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 79828180 IHECHOXYIXODOV-JTQLQIEISA-N 269.175 3.729 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2)[C@@H]1c1ccccc1 81574982 IEJKMOPIRGPCNR-KSSFIOAISA-N 262.356 3.751 30 20 CHED CC[C@H](C)CNCc1ccc(OC)c(O[C@@H](C#N)CC)c1 93075181 AAAKKAWXXFTSSP-DZGCQCFKSA-N 290.407 3.512 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1cccc(F)c1)c1ccccc1 97166614 SLGZRIUZCOTKMP-AWEZNQCLSA-N 299.345 3.812 30 20 CHED CCOc1cc(C#N)ccc1OCc1cc(F)cc(F)c1 97901748 CIBRINXHFCGDKZ-UHFFFAOYSA-N 289.281 3.814 30 20 CHED COCCCSc1ccc(C#N)c(C(F)(F)F)c1 108944755 HIBUJZHDXXJWMQ-UHFFFAOYSA-N 275.295 3.706 30 20 CHED CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)cc1 114303371 BOKGTMVEQXKNMU-SFHVURJKSA-N 290.366 3.708 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 116861661 GQAOKXVJDRNXBV-QMMMGPOBSA-N 258.148 3.688 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1cc2ccccc2o1 116959875 ADGMRMFUSAWJDO-VXGBXAGGSA-N 272.348 3.758 30 20 CHED C=CCCCCCN(C)C(=O)c1c(F)ccc(F)c1F 125854591 LZGJEJMEFITSBZ-UHFFFAOYSA-N 285.309 3.922 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCCOC1CCCC1 126701563 MBYYBGOQKSRNJO-CPNJWEJPSA-N 298.386 3.709 30 20 CHED N#Cc1cc(F)c(NC[C@H]2Cc3ccccc32)c(F)c1 126968932 ACYPCTVKCLZDNG-GFCCVEGCSA-N 270.282 3.588 30 20 CHED CCCCCCCCCNC(=O)Nc1cnn(CC)c1 127926565 QOJVLNZIJLHHPE-UHFFFAOYSA-N 280.416 3.775 30 20 CHED CC(C)CCCNCc1ccc(N(C)CCC#N)cc1 131154132 JHAFZEHPMCBPBJ-UHFFFAOYSA-N 273.424 3.562 30 20 CHED C=CCN(CC=C)C(=O)c1cc(F)cc(C(F)(F)F)c1 132993129 XAVDAKGEXAWZAZ-UHFFFAOYSA-N 287.256 3.659 30 20 CHED C#CCOc1ccc(C(=O)N(CC)c2ccccc2C)cc1 133365747 WSTAEZOIQCPAGI-UHFFFAOYSA-N 293.366 3.674 30 20 CHED N#CCC[C@H](NC(=O)NCCC1CCC1)c1ccccc1 134101174 CFOWWXKNRBDPNR-INIZCTEOSA-N 285.391 3.521 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)cc2)s1 134495621 YSOMNIIYGXUZSZ-XVNBXDOJSA-N 257.289 3.655 30 20 CHED C=C[C@@H](CC(=O)Nc1cnn(CCC)c1)c1ccccc1 136170739 MTDWYNRQYVELLU-AWEZNQCLSA-N 283.375 3.592 30 20 CHED C#CCCCCNC(=O)Nc1ccc(O[C@H](C)CC)cc1 152826770 VPNGPJGZMTVURU-CQSZACIVSA-N 288.391 3.789 30 20 CHED CCOc1cc(C)ccc1CNCc1ccc(C#N)s1 153436886 UBFGHUAFNHVSGH-UHFFFAOYSA-N 286.400 3.617 30 20 CHED CCN(CCc1ccccc1)CC(C)(C)CCC#N 153704502 FYSVDOADOPTNMW-UHFFFAOYSA-N 258.409 3.881 30 20 CHED CCCCCCCCCC(=O)N1CC[C@]2(CCOC2)C1 154779394 AFOIDQUIJIUQSC-KRWDZBQOSA-N 281.440 3.766 30 20 CHED C=CCC[C@@H](NC(=O)NCc1cccnc1)c1ccccc1 155916459 LVLWOGKHBINBFL-QGZVFWFLSA-N 295.386 3.588 30 20 CHED C=C(C)CNC(=O)Nc1ccc(O[C@H](C)CC)cc1 156860680 NWTDRBNNSVYEKF-GFCCVEGCSA-N 262.353 3.562 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnc2ccccn12 157621326 IPAAVFBZXIPWHH-UHFFFAOYSA-N 277.371 3.523 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](CC)c2ccncc2)cc1 163680320 RVOARVSFMUEFKB-KXBFYZLASA-N 294.398 3.896 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1sccc1C#N 171401445 ZDDBIMMBDIQHFQ-JTQLQIEISA-N 250.367 3.631 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)CCc2ccc(C#N)cc2)C1 171516461 FWEVORZIVFBFAL-ROUUACIJSA-N 298.430 3.822 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCC(F)(F)F 173081324 LAKYSVIMTLAEMH-UHFFFAOYSA-N 278.318 3.507 30 20 CHED N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCC2)o1 174325434 RTTXPZUYELMEHH-UHFFFAOYSA-N 286.762 3.974 30 20 CHED Cc1cccc(OCC(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 175767735 IWKDNPNLMCTSKF-AWEZNQCLSA-N 295.338 3.550 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)c1cc2ccccc2o1 176228958 UZUOZLIMXAQIFL-PXAZEXFGSA-N 284.359 3.591 30 20 CHED CN(CCC#N)C(=O)Nc1ccc(SC(C)(C)C)cc1 176559500 OBOFNIZRMQLSET-UHFFFAOYSA-N 291.420 3.955 30 20 CHED CCC(CC)CC(=O)[C@@H](C#N)c1nc2ccccc2o1 177731774 XXVNOIFZINXYIU-GFCCVEGCSA-N 270.332 3.830 30 20 CHED C=CCCCC(=O)N1C[C@@H](CC)Oc2ccccc21 177896933 BPADTYPSJHGIJB-CYBMUJFWSA-N 259.349 3.547 30 20 CHED Cc1ccc2c(c1)OCC/C(=C/c1cccc(C#N)c1)C2=O 177907584 UDXNRXMJCKVGIH-WJDWOHSUSA-N 289.334 3.916 30 20 CHED C=CCN1CCC(N[C@@H](C)c2ccc(CC)s2)CC1 177913904 RTDYWPHZHFBHTF-ZDUSSCGKSA-N 278.465 3.612 30 20 CHED CC[C@@H](C)c1cc(C(=O)Nc2cccc(C#N)c2C)on1 178369486 NYIJAJAMAQLCBW-SNVBAGLBSA-N 283.331 3.621 30 20 CHED C=CCc1ccc(OCc2ncc(C)s2)c(OC)c1 179890979 CMXYUMMTDOAZAD-UHFFFAOYSA-N 275.373 3.768 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(Cl)c1F 181515977 DHRQDYDPTFOACW-UHFFFAOYSA-N 256.708 3.519 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(COCC2CC2)c1 181652388 RRNSQXRDMCWSHR-UHFFFAOYSA-N 288.391 3.653 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCCCOc1ccccc1 182545821 VRQCLBOXJCKUET-HNNXBMFYSA-N 296.370 3.858 30 20 CHED CCCCCCCCC(=O)N(C)Cc1ncc(Cl)n1C 183212159 OXJWXWOCNUBEEN-UHFFFAOYSA-N 299.846 3.783 30 20 CHED CCCc1sc(C(=O)N[C@@H](CC)CC#N)cc1CC 183915376 PLVMGAHJXWCAFA-LBPRGKRZSA-N 278.421 3.685 30 20 CHED CC#CCCCC(=O)Nc1nnc(C(CC)CC)s1 184949622 NEJSNZNDIRNFCP-UHFFFAOYSA-N 279.409 3.574 30 20 CHED Cc1[nH]c2ccccc2c1CCN[C@H]1CCC[C@H](C#N)C1 185809360 JPMAXVQUMIPZPB-GJZGRUSLSA-N 281.403 3.691 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cccc2c(C)c(C)[nH]c12 187929706 BNRMWTXURYHNLI-LBPRGKRZSA-N 270.332 3.634 30 20 CHED Cc1c(C(=O)/C=C/c2cc(C#N)cs2)cnn1C(C)C 188880231 MLYDUGZURKANRR-SNAWJCMRSA-N 285.372 3.602 30 20 CHED C=CCC[C@H](C)NC[C@](C)(Cc1ccccc1)[C@@H](C)O 188902578 JIDBOIZWDNVXQD-JZXOWHBKSA-N 275.436 3.561 30 20 CHED C=CCN1CCC(N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 189169171 CVNXEMQTTUQYOY-QUCCMNQESA-N 298.474 3.638 30 20 CHED CC(C)CNC(=O)[C@H](C)S[C@@H](C)c1cccc(C#N)c1 190915504 MPJXTZAUAMDOKW-STQMWFEESA-N 290.432 3.513 30 20 CHED CC(=O)Nc1cc(N[C@@H](C)c2ccc(C#N)cc2)ccc1C 192830432 WKWMKIXQNIQLDT-ZDUSSCGKSA-N 293.370 3.998 30 20 CHED Cc1cc(COC(=O)c2sccc2C#N)c(C)s1 194634311 GQKFYGFDIUWZIW-UHFFFAOYSA-N 277.370 3.655 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2C)cc1 211822132 PPGBTEAHJFWWJI-XFXZXTDPSA-N 252.313 3.900 30 20 CHED C=CCN(CC=C)CCOc1ccccc1C(F)(F)F 215953150 UIYHVYNHUAYPPZ-UHFFFAOYSA-N 285.309 3.758 30 20 CHED COc1cccc(SCc2cccc(C#N)c2F)c1 219765305 HCGSMZGWYGJAMR-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CC(C)(C#N)CNC(=O)Nc1cc(Cl)cc(Cl)c1 227832141 HQBPUOZUWDAUCC-UHFFFAOYSA-N 286.162 3.665 30 20 CHED N#Cc1cc(COc2cc(Cl)ccc2C#N)ccc1F 230214555 CJKQVHDETKBODW-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C[C@@H]1CCC[C@H](c2noc(-c3ccc(C#N)s3)n2)C1 230997551 DFLXLFBFEVGJAS-ZJUUUORDSA-N 273.361 3.963 30 20 CHED CC(C)(C#N)CCCCOc1cccnc1Cl 232522189 WQWMVGBOHVIBQO-UHFFFAOYSA-N 252.745 3.834 30 20 CHED C=C[C@H](C)N[C@H](C)Cc1ccc(Br)cc1 235488305 LYWKHRLHGIIQBF-WDEREUQCSA-N 268.198 3.544 30 20 CHED CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)C12CCC2 245943066 VGJABTDXLCRMGD-XOKHGSTOSA-N 284.403 3.557 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](N2CCCC2)CC1 246978540 HELJVMIVFKQXJN-QFBILLFUSA-N 297.446 3.570 30 20 CHED N#CCc1ccc(NC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 249372990 DXGIRPGIFQTDRB-HRCADAONSA-N 297.402 3.700 30 20 CHED O=C1/C(=C\c2cccc3nccn23)CCc2ccccc21 255324719 XKIGLTVTFYFLAT-OWBHPGMISA-N 274.323 3.547 30 20 CHED O=C(/C=C\c1cncs1)c1ccc2ccccc2c1O 255417490 CQQATKPAGITMIJ-VURMDHGXSA-N 281.336 3.898 30 20 CHED COCCOc1ccccc1/C=C\C(=O)c1ccsc1 255723780 VAEOPRYCVJQRDA-SREVYHEPSA-N 288.368 3.669 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C(C)C)sc2cccc(F)c12 264645594 RHHGMZFTSREACI-LLVKDONJSA-N 290.363 3.627 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(C(C)(C)C)on2)c1 266026503 LOLZKPCXLRAYFO-UHFFFAOYSA-N 296.370 3.620 30 20 CHED C=CCC(CC=C)C(=O)N(CC(C)C)CC(F)(F)F 268161094 HHJHLSWDWZMJFP-UHFFFAOYSA-N 277.330 3.802 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(CC#N)cc1 270318267 JNZQYUJPCIDMFU-XYPHTWIQSA-N 282.387 3.546 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccc(Oc2ccccc2)o1 272572737 PIJVMBAZRQWFLK-ZDUSSCGKSA-N 270.332 3.663 30 20 CHED C=CCCCNc1ccccc1[C@H](O)C(F)(F)F 273495905 OJURPTVSOJZFKW-LBPRGKRZSA-N 259.271 3.660 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(F)cn1 276134909 BTGZEONNZBCHRL-UHFFFAOYSA-N 283.350 3.503 30 20 CHED C[C@@H](CCC#N)N(C)Cc1cc(Br)ccc1F 276364672 ZQEJZNUANDDTFA-JTQLQIEISA-N 299.187 3.712 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(N2CCCCC2)cc1 278238682 LEKXHWVTLOZKLV-UHFFFAOYSA-N 285.391 3.555 30 20 CHED CC[C@@H](NCCC[C@H]1CCCCO1)c1ccc(C#N)cc1 278685986 KBPYBBDWHNWXKH-QZTJIDSGSA-N 286.419 3.948 30 20 CHED C=CCCCCCNc1ccccc1C(=O)N(C)C 278775171 UGZSKMFATUXSKE-UHFFFAOYSA-N 260.381 3.547 30 20 CHED C=C(Cl)CNC(=O)C[C@H](C)c1c[nH]c2ccccc12 278796560 NCGRUZOWAFTTCW-JTQLQIEISA-N 276.767 3.530 30 20 CHED C#CCCCCC(=O)OCc1ncc(C(C)(C)C)s1 279093526 GNLMNMLHJFEROU-UHFFFAOYSA-N 279.405 3.677 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1ccc(C)cc1O 280803923 LCWYMSDLSMPKHE-LESCRADOSA-N 289.419 3.723 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc(F)c(F)c1O 281654220 PXBGZEZXXSOTLX-UWVGGRQHSA-N 255.308 3.676 30 20 CHED CC(C)(C#N)C(=O)N(Cc1ccccc1Cl)CC1CC1 286855019 GRJCWBVQSIBKLA-UHFFFAOYSA-N 290.794 3.628 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1nccn1-c1ccccc1 287303066 SVVZLYTZOUONQX-OAHLLOKOSA-N 296.418 3.853 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)c(F)cc1Cl 287380482 ZVQQXLMOJIANMN-UHFFFAOYSA-N 270.735 3.827 30 20 CHED CC[C@@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 290877588 BNBVWAXPAZCRTC-CYBMUJFWSA-N 264.756 3.601 30 20 CHED N#CCCCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 291981815 UTCCPCKKAGOBRZ-QGZVFWFLSA-N 295.386 3.915 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1[C@@H]1CC[C@H](C#N)C1 292756845 IMEOSPGWIHBBKR-YALNPMBYSA-N 254.377 3.557 30 20 CHED C=CCCC(=O)N1CCCc2c(OC(F)F)cccc21 294252989 SZPWYVRDBGCJTG-UHFFFAOYSA-N 281.302 3.533 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(C)cc1Br 297586223 CGKFPNRFLBHQAU-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C=CC(C)(C)C(=O)N1CCc2sccc2[C@H]1CC 298166144 BXYCMDUZWHNPIL-GFCCVEGCSA-N 263.406 3.796 30 20 CHED CC(C)CN(C(=O)NCc1ccc(C#N)cc1)C1CCCC1 299441959 LLRWHVGNBGOHBS-UHFFFAOYSA-N 299.418 3.668 30 20 CHED C=CCOc1ccccc1CNc1ncnc2ccccc12 301233075 GKJQQVCODSFUEV-UHFFFAOYSA-N 291.354 3.807 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1c1ccc(C#N)cc1 301583090 QINCFXRCFZOQDK-KSSFIOAISA-N 262.356 3.941 30 20 CHED N#Cc1ccc2nc(N3CCc4ccccc4C3)ccc2c1 301616944 CHDPHWFCOZHMLT-UHFFFAOYSA-N 285.350 3.669 30 20 CHED C[C@H]1C[C@H](c2cccnc2)N(c2ccc(C#N)cc2)C1 302154608 VKTXUCYLBDGCSH-SUMWQHHRSA-N 263.344 3.541 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccc(C(C)C)cc1 302807734 HRFMAMGQMUXHQW-UHFFFAOYSA-N 274.408 3.647 30 20 CHED C=CCCCCNC(=O)c1ccc(C)cc1Br 310140654 CCYLVDHGLXPJDT-UHFFFAOYSA-N 296.208 3.844 30 20 CHED N#Cc1cc(NCCCCC2CCOCC2)ccc1F 312218967 ZBFBRJPSDTZPIV-UHFFFAOYSA-N 276.355 3.706 30 20 CHED CC[C@H]1CC[C@H](C(=O)Nc2cccc(CC#N)c2)CC1 313508261 CXEHVSWFDNOOHO-CTYIDZIISA-N 270.376 3.908 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cc1 320276780 MUDSXAUUEZVXBO-FZMZJTMJSA-N 287.325 3.683 30 20 CHED CC1(C)C(O)=Nc2cc(/C(O)=N/[C@]3(C#N)CC3(C)C)ccc21 329143388 MBGXEZXSSJBMEL-KRWDZBQOSA-N 297.358 3.563 30 20 CHED N#CC1(/C(O)=N/[C@@H]2CCO[C@@H](c3ccccc3)C2)CCC1 329833919 UJHKSCGWZNTXGF-HUUCEWRRSA-N 284.359 3.557 30 20 CHED O/C(CCc1cnccn1)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329955154 KMMJYDRNAXEWSK-RRFJBIMHSA-N 287.407 3.725 30 20 CHED CC[C@@H]1CCC[C@@H]1/N=C(/O)c1cc(O)nc(C2CC2)c1 329995813 NTZDUHINNTTWID-MFKMUULPSA-N 274.364 3.548 30 20 CHED CC(C)c1ncc(N=C(O)[C@H]2Cc3ccccc3S2)cn1 330067081 UDCVQZYUWCCKJS-CQSZACIVSA-N 299.399 3.905 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1ccc(F)cc1F 330769607 ZOJVANRBAVTJMB-AWEZNQCLSA-N 266.291 3.598 30 20 CHED CC(=O)c1c(C)cc(C)c(CN[C@H]2CCC[C@@H]2C#N)c1C 330813812 FMZBDBTZVKCPQA-WBVHZDCISA-N 284.403 3.596 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1N[C@@H](C(=N)O)c1ccc(C#N)cc1 331114862 KFRMPYJHRCSTDR-GUYJKWIASA-N 285.391 3.549 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1ccc(F)cc1F)CC2 334686476 SQTOCONSMBDDKO-QGZVFWFLSA-N 284.309 3.614 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)c1ccc(Cl)cc1F 335701255 CMDHGBRKINYXBC-UHFFFAOYSA-N 292.697 3.529 30 20 CHED Cc1cscc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 336160469 KAWAUEKBRBQNMF-NSHDSACASA-N 285.372 3.811 30 20 CHED CC(C)SCCNc1c(Cl)cccc1C#N 336747866 SIHIVMSINLVNGK-UHFFFAOYSA-N 254.786 3.765 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cc(F)c(F)cc1F 337819704 QCTXPKWFFRYCTQ-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1sc(NC(=O)C2(C)CCCC2)c(C#N)c1C 340761935 SVOXQHMWGQPKBR-UHFFFAOYSA-N 262.378 3.755 30 20 CHED C=CCCC1(C(=O)N(CCC)CCc2ccccn2)CC1 341255421 FYTXTAVKADJPBZ-UHFFFAOYSA-N 286.419 3.609 30 20 CHED CCCOc1ccc([C@H](C)NCCCCC#N)cc1OC 341649649 ZXVKNWKYEMLMTQ-AWEZNQCLSA-N 290.407 3.828 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 342109397 WEFRPCQVRVVWSU-FZMZJTMJSA-N 290.407 3.865 30 20 CHED CCc1oc2ccccc2c1CN(C)CC1(C#N)CC1 343245610 FSUJCDGAVJYDIF-UHFFFAOYSA-N 268.360 3.731 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H](C)C1 345462128 UIBUHVZSJDHXNM-WMLDXEAASA-N 282.387 3.509 30 20 CHED Cc1ccc2sc(C(=O)N(C)[C@@H](C)CC#N)c(C)c2c1 346041426 URASRUQAKYWDKH-NSHDSACASA-N 286.400 3.892 30 20 CHED C=CCn1cccc1-c1nc([C@@H](C)Oc2ccccc2)no1 346382638 HMQWLCZUDBFJCT-CYBMUJFWSA-N 295.342 3.864 30 20 CHED C=CCN1CC[C@H](S[C@@H]2CCCc3ccccc32)C1=O 347693814 GKGKDKIKAPOZFK-CVEARBPZSA-N 287.428 3.584 30 20 CHED C=CCCCNC(=O)c1cc(F)ccc1-c1ccoc1 348527516 SKCOYDCBSBTDSQ-UHFFFAOYSA-N 273.307 3.782 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCSC1 348866127 FYRKVLNWJFHDEQ-OAHLLOKOSA-N 293.480 3.595 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H](CC#N)c1ccccc1 352519264 NDWDDBXALYIKJP-MRXNPFEDSA-N 284.403 3.792 30 20 CHED CC[C@H](C)CCC(=O)N(CCC#N)CCC(C)C 352577992 TVEXBWLZHUXALM-AWEZNQCLSA-N 252.402 3.601 30 20 CHED C=CCCC(=O)N[C@H](C)c1cc2cccc(F)c2o1 355787794 AZKWWKWZZAPHHM-SNVBAGLBSA-N 261.296 3.715 30 20 CHED N#Cc1ncccc1NCCNc1cccc2ccccc12 357238830 NMBIHZSAQBXKMQ-UHFFFAOYSA-N 288.354 3.630 30 20 CHED N#Cc1ncccc1N[C@@H]1C[C@H]1c1c(F)cccc1Cl 357536225 UDFWFVGUMUSDFJ-NOZJJQNGSA-N 287.725 3.714 30 20 CHED CSc1cc(C)ccc1CNc1cccnc1C#N 357536248 UHVQCDLGFWZDJL-UHFFFAOYSA-N 269.373 3.596 30 20 CHED C=CCC1(C(=O)Nc2cc(C)c(C(=O)OC)s2)CCC1 357789735 LLCLNUSPJOJOPE-UHFFFAOYSA-N 293.388 3.528 30 20 CHED CC[C@@H](C)n1ncc(NCc2cc(C#N)n(C)c2)c1C1CC1 359673373 DSORSNYJDWCJMR-GFCCVEGCSA-N 297.406 3.554 30 20 CHED C[C@@H]1CCC[C@H](CN2CCC(C#N)(c3ccccn3)CC2)C1 376593888 AYRJPRIZPPIIHA-SJORKVTESA-N 297.446 3.765 30 20 CHED CC[C@@H](C)[C@@H](CNc1cccc(Cl)c1C#N)OC 381303343 RIORIEDUQHNXPW-QMTHXVAHSA-N 266.772 3.685 30 20 CHED C=CC(C)(C)CN[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 384833948 GCPVFRIAZZWBHY-KBPBESRZSA-N 296.455 3.624 30 20 CHED N#CCCC1CCN(Cc2ccc3ncccc3c2)CC1 399327586 LCTMPZIFDAKJGF-UHFFFAOYSA-N 279.387 3.751 30 20 CHED C=CCCC(=O)N(c1ccc(Br)cc1)C1CC1 411041373 BLFUMPBXZOMTIZ-UHFFFAOYSA-N 294.192 3.911 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCC)C1CC1 413820313 HFEUQZOJXAYDCR-INIZCTEOSA-N 286.419 3.758 30 20 CHED CN(C(=O)c1cccc(C#N)c1)[C@H]1CCC[C@H]1C(C)(C)C 416317589 XBUXXDFGNRIUPG-CVEARBPZSA-N 284.403 3.845 30 20 CHED N#Cc1ccc(CNC2(Cc3ccc(F)cc3)CC2)cc1F 421389372 XLKPFPBNDVDTBE-UHFFFAOYSA-N 298.336 3.701 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 424320674 GEFRIRDZDZEUOK-QEORTHHSSA-N 299.374 3.644 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425106051 GFHKHDAOVWPSJJ-CKEIUWERSA-N 282.387 3.680 30 20 CHED Cc1ccc(OCc2cccc(F)c2C#N)cc1F 427570012 RCFOZAUHFCQMIY-UHFFFAOYSA-N 259.255 3.724 30 20 CHED COc1ccc(C#N)cc1CN(C#N)c1ccccc1Cl 429778571 DHNWWBVURUVBEP-UHFFFAOYSA-N 297.745 3.708 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccccc1Cl 429805335 ARFOBKIQXJNZHI-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C=CCOCCCS[C@H](C)c1cc(C(=O)OC)c(C)o1 431106618 NUYVAJFGSDYTTR-GFCCVEGCSA-N 298.404 3.762 30 20 CHED N#Cc1nn(CCSc2ccc(F)cc2)c2ccccc12 432454588 GSVNKXNCASTUTP-UHFFFAOYSA-N 297.358 3.839 30 20 CHED COc1cc(C#N)ccc1CNc1c(F)cccc1Cl 434739037 QMUGOMXUCGAZNU-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CC1CCCC1 436293958 WKQUIBPPRVUYJJ-KBMXLJTQSA-N 251.414 3.526 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCCCc2ccccc2)C1 442790470 GRPYHKIRCLQHEI-IAGOWNOFSA-N 256.393 3.681 30 20 CHED CCCCN1CCc2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc21 442833276 BRTXXRICQNTRIV-GDBMZVCRSA-N 283.419 3.953 30 20 CHED N#CCc1ccc(CSCC(=O)Nc2ccccc2)cc1 443404135 DJQVMMIVXVNMGG-UHFFFAOYSA-N 296.395 3.625 30 20 CHED C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H](C)C1 443659166 SYPNIEQYNQTCPY-OLZOCXBDSA-N 260.356 3.565 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[C@@H](C)C2)c1 444826475 HOQAHCNYPVEMHS-UKRRQHHQSA-N 288.391 3.952 30 20 CHED C=CC[C@@H]1N(Cc2cnn(C=C)c2)CCCC1(C)C 446832439 OTENFCNQRJJLNX-HNNXBMFYSA-N 259.397 3.550 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)c2cc(C#N)[nH]c2C)c(C)c1 448664770 KMTHFJXPFOZFBZ-CQSZACIVSA-N 295.386 3.645 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C#N)[nH]c1C 448913508 VVEBILQEJBEBEO-CYBMUJFWSA-N 295.386 3.636 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(CCC(F)(F)F)c1 450074348 KZFJUUQZWVSTJB-IINYFYTJSA-N 296.292 3.670 30 20 CHED C=CCCc1noc(C(C)(C)Oc2ccc(F)cc2)n1 453239658 SGDBWZCNOHWAQG-UHFFFAOYSA-N 276.311 3.641 30 20 CHED N#Cc1ccc2c(c1)[C@H](N1CCC[C@@]3(CCSC3)C1)CC2 453345576 FHUYFMDSJOSKQR-QZTJIDSGSA-N 298.455 3.765 30 20 CHED C[C@H]1CCC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 454609409 ZLIUBHUQUNGDBR-YOEHRIQHSA-N 298.430 3.822 30 20 CHED C=C(CC)CNC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 454958587 LKHHVOCCCYYMHH-VXGBXAGGSA-N 292.345 3.621 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1cccc(CC#N)c1 456740383 WJUZTPQVMSQYHX-CYBMUJFWSA-N 258.365 3.763 30 20 CHED C=C[C@H](CC(=O)N[C@]1(C)CC=CCC1)c1ccccc1 458327207 BSKRLJIPSCIUKV-CRAIPNDOSA-N 269.388 3.961 30 20 CHED CC#CCCN1CCC[C@@H]1c1ccc(OCC)cc1 462314581 NZEWDKIJMWYYIY-QGZVFWFLSA-N 257.377 3.636 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462548871 VDMRTCGHHCAERH-YOEHRIQHSA-N 284.403 3.556 30 20 CHED Cc1cc(C)c(C#N)c(NC[C@H](C)Oc2ccc(F)cc2)n1 463073041 UHLIUBFZBVXESS-ZDUSSCGKSA-N 299.349 3.589 30 20 CHED Cc1ccsc1CCCC(=O)N[C@](C)(C#N)C(C)(C)C 464166127 FZBDGJIBLBFRMY-MRXNPFEDSA-N 292.448 3.824 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 467094121 IJNUWHKAENAUSP-OAHLLOKOSA-N 272.392 3.627 30 20 CHED CC(C)N(Cc1cc(F)ccc1C#N)C1CCCC1 469248560 ZXZJBJHVKNOZST-UHFFFAOYSA-N 260.356 3.850 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](C)CCC1CC1 469425693 DXRSARRYFOFJDQ-AWEZNQCLSA-N 266.429 3.953 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)c1ccc(C#N)cc1 470499292 CSZJWVWTHVYSCO-CYBMUJFWSA-N 270.376 3.647 30 20 CHED C=C(C)CN(CC)C[C@@H](O)Cc1ccc2ccccc2c1 470726610 NNWDRNPLGYFSBG-IBGZPJMESA-N 283.415 3.641 30 20 CHED C=CCOCCCN1CCC(Cc2ccc(F)cc2)CC1 470768543 AVSTZNHSABFZFZ-UHFFFAOYSA-N 291.410 3.673 30 20 CHED C=CCC(CC=C)C(=O)NCc1c(C)c2ccccc2n1C 471231288 ZTDMYKULKMAZFG-UHFFFAOYSA-N 296.414 3.871 30 20 CHED C=CCCCCNC(=O)N(C)C[C@H](C)c1ccccc1 472854925 QIQKUKVNLCNZFG-HNNXBMFYSA-N 274.408 3.788 30 20 CHED CC1(c2csc(Nc3ccc(C#N)cc3)n2)CC1 473446936 FSQAQEKVYQJSBH-UHFFFAOYSA-N 255.346 3.810 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(CSCC)c1 477579436 XZXYJZVECCUVAP-UHFFFAOYSA-N 278.421 3.980 30 20 CHED C[C@@H](CSc1nccc(C#N)c1[N+](=O)[O-])c1ccccc1 480371324 RIGVNTSZMMRGLO-NSHDSACASA-N 299.355 3.757 30 20 CHED CC1(C#N)CN(C(=O)C(C)(C)c2ccc(C(C)(C)C)cc2)C1 482625357 CPURWMGDHKBHRJ-UHFFFAOYSA-N 298.430 3.634 30 20 CHED C=CCCC[C@H](C)NCc1scnc1C1CC1 487543295 UHCJIPXBXUMNMH-NSHDSACASA-N 250.411 3.855 30 20 CHED Cc1ccc2ncc(C#N)c(OCCOC(C)(C)C)c2c1 488278631 IXEFYHLJDCDLOZ-UHFFFAOYSA-N 284.359 3.609 30 20 CHED C=C(CN[C@@H]1CS[C@@H](C(C)C)C1)c1ccccc1 488435032 QYIHAVMMIWYBDF-JKSUJKDBSA-N 261.434 3.820 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1c(C)cc(C)cc1C 489444909 XOPFZUINIQVFHG-MRXNPFEDSA-N 286.419 3.591 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 490005641 PNOAQGWRDKZSHM-OCCSQVGLSA-N 293.357 3.787 30 20 CHED C=CCC[C@H](NS(=O)(=O)C[C@@H](C)CC)c1ccccc1 503224244 RBAWNUONEHWZFH-HOCLYGCPSA-N 295.448 3.659 30 20 CHED CC(C)N(C(=O)CCc1ccc(C#N)cc1)C1CCCC1 504387362 IPXSEVRRWQSXGT-UHFFFAOYSA-N 284.403 3.670 30 20 CHED C=CCOc1ccc(CN2CCC[C@@H]2C(C)C)cc1OC 507122213 SEZVFNPXGZKSGT-MRXNPFEDSA-N 289.419 3.880 30 20 CHED C=CCCCNc1ccc(Cl)c(F)c1N1CCOCC1 509496001 QIBUCEOQWJPXBC-UHFFFAOYSA-N 298.789 3.694 30 20 CHED C=C(C)CCN(C)[C@H]1CCCN(Cc2ccccc2)C1 509670853 AMDQVKBHPJMGTQ-SFHVURJKSA-N 272.436 3.549 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCC[C@@H](C)C1 512212090 MOAPMTHXMHFIBG-HZPDHXFCSA-N 291.435 3.976 30 20 CHED Cc1ncsc1CN(CC(C)C)c1ccc(C#N)cc1 517263964 IIEMDLFXEDMHDS-UHFFFAOYSA-N 285.416 3.986 30 20 CHED Cc1coc(-c2cccc(N[C@@H]3CC[C@H](C#N)C3)c2)n1 517274554 JGOVVOVGPCOGLX-SWLSCSKDSA-N 267.332 3.754 30 20 CHED N#Cc1ccc(CN2CC[C@@H]2Cc2ccccc2)c(F)c1 530756793 DAGODUYYOAVOFD-QGZVFWFLSA-N 280.346 3.514 30 20 CHED CSCc1cccc(NC(=O)c2ccc(C#N)s2)c1 530913442 FVMOMFRTSOQXJR-UHFFFAOYSA-N 288.397 3.735 30 20 CHED Cc1ccc(C#N)c(NCc2ccc([C@@H]3C[C@@H]3C)o2)n1 536575259 RZQHSLCNDGTPAZ-IINYFYTJSA-N 267.332 3.590 30 20 CHED C=CCN(CCC(=O)Nc1cccc2ccccc12)C1CC1 536743231 TXCCCJXOCTZLHX-UHFFFAOYSA-N 294.398 3.819 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)C[C@@H](C)C1 538369529 QGSWLKROEUCZCI-ZNMIVQPWSA-N 266.429 3.809 30 20 CHED C=CCC[C@@H](NCCOc1ccccc1F)C1CC1 540172535 LALGRAXMGNHKPM-OAHLLOKOSA-N 263.356 3.539 30 20 CHED N#CCc1ccc(CN2CCCc3c(F)cccc32)cc1 542279761 DMWVGNDJEMBLQP-UHFFFAOYSA-N 280.346 3.845 30 20 CHED C=CC1CCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 542552064 XVOOQJUKRYFDOT-CYBMUJFWSA-N 251.414 3.873 30 20 CHED N#Cc1ccc(/C=C/C=C/c2ccc(F)cc2F)nc1 542733516 YHVJBQLNBCFBEL-ZPUQHVIOSA-N 268.266 3.958 30 20 CHED C=CCCC[C@H](C)N[C@H](C)[C@@H]1COc2ccccc21 543554733 XLENGSPMCHNSER-LZWOXQAQSA-N 259.393 3.886 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H]1CCO[C@H](CC)C1 543802198 UTHIZOSOUKXBIJ-LSDHHAIUSA-N 294.439 3.560 30 20 CHED Cc1ccnc(N2CCc3cccc(F)c3[C@@H]2C)c1C#N 547327099 XDFOFDKZAXTAIP-LBPRGKRZSA-N 281.334 3.525 30 20 CHED CC#CCCNCc1csc(-c2ccc(Cl)cc2)n1 548498716 JRFRPXAMDKUTCD-UHFFFAOYSA-N 290.819 3.967 30 20 CHED C=C(C)CCN1CC[C@@](F)(c2ccccc2F)C1 549413662 OAWPUSKRAWLRNN-HNNXBMFYSA-N 251.320 3.662 30 20 CHED C=CCC[C@H](NC[C@H]1CCC[C@H]1OC)c1ccco1 552061266 DHWWTYLVFLOYOR-QLFBSQMISA-N 263.381 3.692 30 20 CHED C=CCC[C@@H](NCCc1ccc(F)cc1F)C1CC1 555907127 RBAHNIKAVBDAOW-MRXNPFEDSA-N 265.347 3.842 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1snc(C)c1C#N 561181977 GBLYQIHNJBWYDL-AWEZNQCLSA-N 269.373 3.731 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccc(CCC(C)C)cc1 563920982 UAGNEZAZJZUXSW-QGZVFWFLSA-N 275.392 3.541 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](CC)c1cccc(OC)c1 567077810 JFQIENLMTGULOB-CZUORRHYSA-N 290.407 3.752 30 20 CHED CC[C@@H](CC#N)NCCSc1ccc(C)c(C)c1 570864085 NFFIPPMTHCVDDP-AWEZNQCLSA-N 262.422 3.677 30 20 CHED N#C[C@@H]1CC[C@H](Sc2c(F)cc(F)cc2F)C1 572352918 RFIJPJSUJUVYKY-APPZFPTMSA-N 257.280 3.888 30 20 CHED N#Cc1ccnc(N2CCC[C@@H](c3ccccc3)CC2)c1 573344111 KIEYEAFTIPEFAZ-QGZVFWFLSA-N 277.371 3.727 30 20 CHED C=CCCC[C@@H](C)N1CCOc2ccc([N+](=O)[O-])cc2C1 576269097 WPUIGZTYVHICNG-CYBMUJFWSA-N 290.363 3.534 30 20 CHED CC[C@@H](C)CN(CC)C(=O)Nc1ccc(C#N)c(F)c1 576625635 HCXMHILDBKCGNN-LLVKDONJSA-N 277.343 3.597 30 20 CHED COc1cc(C#N)cc(Cl)c1OCC=C(C)C 578460958 JDVGCNBLKMFGBX-UHFFFAOYSA-N 251.713 3.565 30 20 CHED N#CCC[C@H](C#N)CNc1cccc2ccsc12 583259159 WACLAZUFSGEDNS-LLVKDONJSA-N 255.346 3.757 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)/C=C\c1cccs1 588411006 KRUWKZODNXSDBQ-JLVNDZCYSA-N 298.367 3.691 30 20 CHED COc1ccsc1C(=O)/C=C\c1cccc(F)c1 588488999 FERSSCQFDYPGQK-WAYWQWQTSA-N 262.305 3.792 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(N(C)C(C)C)nc2)o1 588579310 QEUCQZVBPQISIL-TWGQIWQCSA-N 298.386 3.978 30 20 CHED COc1ccc(Cl)cc1N(C)C(=O)CCCCCC#N 588927146 CDJCYSLRTNHEBY-UHFFFAOYSA-N 294.782 3.785 30 20 CHED CC[C@H](C)COc1c(Br)cccc1CC#N 589268670 XLXKOMJDGRFKFF-JTQLQIEISA-N 282.181 3.940 30 20 CHED N#Cc1cccc(CN2CCC[C@@H](c3ccccc3)C2)c1 590119718 RPAVSLSXAKFUKM-LJQANCHMSA-N 276.383 3.938 30 20 CHED Cc1c[nH]cc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 592973351 DNFUAZANUXGTKM-JTQLQIEISA-N 299.330 3.562 30 20 CHED CCN(CCCN[C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 593661001 VEXRWUFWBQVOCR-SJORKVTESA-N 291.483 3.703 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCCC23CCCC3)cc1 595055443 DCTATTINUALDJM-QGZVFWFLSA-N 268.404 3.803 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C1CCC2(CC1)CC2 597161571 VYZCNOFDTJHFQD-UHFFFAOYSA-N 276.424 3.745 30 20 CHED C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@@H](C)C1(F)F 599118168 QLKNCPFJJXKQIO-AOOOYVTPSA-N 284.737 3.939 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 599819467 PZBVPIDWGZFIKS-YQQAZPJKSA-N 299.414 3.694 30 20 CHED CCC(C#N)(CC)C(=O)NC1CCC(C2CCC2)CC1 600112358 KOQICXQNIJTTGB-UHFFFAOYSA-N 276.424 3.791 30 20 CHED CO[C@H](CSCCCCC#N)c1ccc(F)cc1 600637790 VYDPCEVIXUTTJS-CQSZACIVSA-N 267.369 3.940 30 20 CHED CC(C)N(C)c1ccc(-c2ccc(F)cc2C#N)cn1 600788391 KKBBJWIGKIQGJC-UHFFFAOYSA-N 269.323 3.604 30 20 CHED Cc1cccc(NC2CCN(C[C@@H](C)CCC#N)CC2)c1 602471208 KGJNJUPQXBILHF-INIZCTEOSA-N 285.435 3.811 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(C[C@@H](C)CCC#N)[C@@H]2C 602598887 ZMZNFQSNYXEBCL-SOUVJXGZSA-N 286.419 3.943 30 20 CHED N#Cc1cccc(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)n1 602644235 LFNGZXZCADAWKM-GOEBONIOSA-N 295.361 3.518 30 20 CHED CN(C(=O)c1ccc(C(F)F)cc1)c1cccc(C#N)c1 608805723 CHRLJOZATLGNDW-UHFFFAOYSA-N 286.281 3.772 30 20 CHED CCc1nnc(CSCc2cccc(C#N)c2F)s1 612023643 TZIMJKIPJHWYJC-UHFFFAOYSA-N 293.392 3.545 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)c2cccc(C#N)c2)c1C#N 612084532 IOEONUXVAHAYNN-NSHDSACASA-N 296.761 3.960 30 20 CHED CO[C@@]1(C)C[C@H](N(C)Cc2ccc(C#N)cc2C)C1(C)C 614402367 VLAXEZLIKYENCA-WMZOPIPTSA-N 286.419 3.502 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cnc3c(F)cccc3c2)C1 617779076 UUQGGPHJLXKBST-ZDUSSCGKSA-N 298.361 3.802 30 20 CHED C[C@H](CCN1CCC[C@@](C)(C#N)C1)c1ccccc1 618606457 GPJWZRYMOYEKHP-WBVHZDCISA-N 256.393 3.806 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2ccsc2[nH]1 620863399 SEPMZNLYOFZTRC-UHFFFAOYSA-N 262.378 3.704 30 20 CHED C=CC[C@H](C(=O)NCC1CC(C)C1)c1ccccc1 622238095 BFSGTKQNQIVFOL-XUJLQICISA-N 257.377 3.509 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCCC(F)(F)CC1 624829003 ACPQYBQOEHLVKZ-GFCCVEGCSA-N 298.381 3.603 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC2(CCSCC2)CC1 633281407 VVYDZDLRKVJHBE-UHFFFAOYSA-N 296.480 3.517 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](CC)c1nc(C)cs1 664009233 TXKLEZQMPBNXDS-GFCCVEGCSA-N 295.452 3.947 30 20 CHED CCC#C[C@@H](C)Sc1nnc(-c2cccc(C)c2)n1C 671154810 MJXJVALPBOBLTH-CYBMUJFWSA-N 285.416 3.685 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCc2c(F)cc(F)cc21 684891266 UIHWHJUJHZWECG-XHDPSFHLSA-N 251.320 3.896 30 20 CHED C=CCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)C(C)C 725855378 RIHZLMQHCPJPIF-UHFFFAOYSA-N 288.395 3.543 30 20 CHED Cc1cc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)ccc1O 728230245 CFDVWIXRQHSTQF-SOFGYWHQSA-N 284.359 3.617 30 20 CHED CC(=NNc1cccc2cnccc12)c1ccc(C)o1 728432593 XYNNQGFTOBVRDB-UHFFFAOYSA-N 265.316 3.972 30 20 CHED C#Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cn1 728798867 IKQFZODNAFWRJI-UHFFFAOYSA-N 298.345 3.982 30 20 CHED C=C(Cl)CSCc1csc(-c2cnn(C)c2)n1 730019053 DRSAWRYXFDNNPA-UHFFFAOYSA-N 285.825 3.529 30 20 CHED CC(=NNc1ccccn1)c1ccccc1OC(F)(F)F 730945946 AQRJGKCJNIPUPX-UHFFFAOYSA-N 295.264 3.816 30 20 CHED Cc1ccc2c(c1)C(=NNc1nc3ccccc3[nH]1)CC2 730946481 YBQKEXFZYPELIU-UHFFFAOYSA-N 276.343 3.634 30 20 CHED C#CCOc1ccc(NC(=O)c2cc(C)sc2C)cc1 730983040 SDTCHBDQGVFZHX-UHFFFAOYSA-N 285.368 3.629 30 20 CHED Cc1cc(NN=C(CC(C)C)c2ccccc2)ncn1 731935676 LKCFYTFMNHXDLR-UHFFFAOYSA-N 268.364 3.647 30 20 CHED C[C@@H](C(=O)OCCCOc1ccc(C#N)cc1)C(C)(C)C 734623540 TXEABBJAOMJNGG-ZDUSSCGKSA-N 289.375 3.553 30 20 CHED CCOc1ccc(/C=N/[C@@H]2CCC[C@H](SC)C2)c(O)c1 735229443 ZOTLNLWXKHXOAU-AUUGRSLUSA-N 293.432 3.884 30 20 CHED CCC(COC)=NNc1nc(-c2ccccc2)cs1 735972671 NLIYKWNPRQVYJN-UHFFFAOYSA-N 275.377 3.634 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCC[C@H](CC)C2)c1 740768426 KVDAZTLDCSIWPA-HOCLYGCPSA-N 286.444 3.923 30 20 CHED C(=NNc1nccc2sccc12)c1c[nH]c2ncccc12 741761317 LLTWJPVIEQFYJB-UHFFFAOYSA-N 293.355 3.619 30 20 CHED CCC(=NNc1cccc(C(F)(F)F)c1)c1cnn(C)c1 741810963 OCCNLLRLXXARPX-UHFFFAOYSA-N 296.296 3.665 30 20 CHED COc1ccc(O)c(/C=N\C[C@H](C)Oc2cccc(C)c2)c1 741841624 BRALYWFFSQWPBE-YQNUULROSA-N 299.370 3.596 30 20 CHED C=CC[C@H](NC(=O)c1cc(C)cc(F)c1)c1ccncc1 742676970 MIHKEINIKQNWKC-INIZCTEOSA-N 284.334 3.576 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)/C=C/c1ccccc1C#N 742720040 OQHWMGRSIBQPMB-XACNLCELSA-N 270.376 3.512 30 20 CHED C#CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)C1CCCCC1 743692181 OHJZYXDBTKELCU-MRXNPFEDSA-N 299.414 3.557 30 20 CHED Oc1cccc(/C=N/CCCc2cccc(Cl)c2)c1O 745626335 MXPMUFIDTJYGET-WOJGMQOQSA-N 289.762 3.803 30 20 CHED CC/C(=C/C(=O)OCCCC#N)c1cccc(Cl)c1 745756809 CFEBJIQSBIZRBS-QXMHVHEDSA-N 277.751 3.980 30 20 CHED CCCCCCCOC(=O)[C@H](C)c1c(C)nn(C)c1C 746932650 WPPMMGRHRJRJFF-GFCCVEGCSA-N 280.412 3.654 30 20 CHED CC(C)Nc1ccc(F)cc1NC(=O)C#Cc1ccccc1 747423424 WZTAMMRRCBELLW-UHFFFAOYSA-N 296.345 3.636 30 20 CHED C=C(C)CNc1ccccc1C(=O)NCc1ccc(C)cc1 747593258 YESHYVINJXQGOR-UHFFFAOYSA-N 294.398 3.913 30 20 CHED C=CCc1ccc(OCC(=O)O[C@@H](C)CCC)c(OC)c1 748101719 KDNLYCXVLRBWRQ-ZDUSSCGKSA-N 292.375 3.534 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C/c1cc(OC)ccc1O 749930727 MWCQHCQZGHDXGG-BFXBNRQGSA-N 293.432 3.884 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C(\C)c1cccc(Cl)c1 750003670 JRIGNXXTZJZNHR-LMMOQWNQSA-N 263.768 3.824 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2C)cc1F 750939173 XJJCVZCHIOMVOY-UHFFFAOYSA-N 276.286 3.728 30 20 CHED CC(C)[C@H](C#N)OC(=O)Cc1ccc(-c2ccccc2)cc1 751157355 HOUYHGCNTSGIGG-SFHVURJKSA-N 293.366 3.987 30 20 CHED C#Cc1ccc(C(=O)Nc2cccc3ccsc23)nc1 752378332 SLICHOSKTOEHCA-UHFFFAOYSA-N 278.336 3.530 30 20 CHED CCCCCCCCNC(=O)N(C)Cc1cccn1C 754862957 PJFNNSCQPJEREN-UHFFFAOYSA-N 279.428 3.527 30 20 CHED C[C@@H]1/C(=C/c2ccccc2C#N)C(=O)c2c(O)ccc(F)c21 755583223 CRBFXYRVBIOYNF-GARZTLJTSA-N 293.297 3.786 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1ccc(O)c(F)c1)C2=O 755589411 SPVKFRUIRVWQAW-NTUHNPAUSA-N 298.313 3.807 30 20 CHED C[C@H](Cc1cccc(Cl)c1)C(=O)OCC1(CC#N)CC1 756568852 XQWYHAOASHPUPU-GFCCVEGCSA-N 291.778 3.756 30 20 CHED C#CC[C@H](NC(=O)N(CCC(C)C)C1CC1)c1ccccc1 757759468 CZBMODLDASZCMK-SFHVURJKSA-N 298.430 3.971 30 20 CHED Cc1cc(Br)ccc1NN=C[C@H]1C[C@@H]1C 758369767 JTGAULWIAKSFPN-WCBMZHEXSA-N 267.170 3.811 30 20 CHED C#CCCCC(=O)N1CCCC(C)(C)c2ccccc21 758892621 YMGRYWJBCDRKFX-UHFFFAOYSA-N 269.388 3.895 30 20 CHED C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 763795015 KRYDOBTYIHFOBZ-RBUKOAKNSA-N 289.378 3.568 30 20 CHED C#CCN(CC)C(=O)c1ccccc1Nc1ccc(C)cc1 764880383 VLEWTAFKQFOFOO-UHFFFAOYSA-N 292.382 3.834 30 20 CHED CCc1cnccc1C(C)=NNc1cc(F)cc(F)c1 765570858 FTQXRVOVVSZTIM-UHFFFAOYSA-N 275.302 3.758 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc(-c2ccccc2)o1 767058542 WLVJNRKRAWXMTC-UHFFFAOYSA-N 281.355 3.612 30 20 CHED COc1cc(OC(=O)C[C@@H]2CCCC[C@H]2C)ccc1C#N 767167445 RYIBJUYRJPIXAP-OLZOCXBDSA-N 287.359 3.689 30 20 CHED CSCCCCCCNCc1ccc(C#N)c(C)c1 767684186 MWEXJDFLMRHDMB-UHFFFAOYSA-N 276.449 3.880 30 20 CHED N#Cc1cc(Cl)nc(NN=C/C=C/c2ccccc2)c1 768379968 KRZBQCAWXMFKJR-NMHQKVDYSA-N 282.734 3.718 30 20 CHED N#CCC[C@@H](NC1CC(C(F)F)C1)c1ccccc1 769532267 OKQBQVGFVJPPKU-JXQTWKCFSA-N 264.319 3.665 30 20 CHED C[C@H]1CCC[C@@H](COC(=O)c2ccccc2OCC#N)C1 770962856 WJKUVHAFOINRBF-UONOGXRCSA-N 287.359 3.572 30 20 CHED CC[C@@H](CNc1cccc(CC#N)n1)c1ccccc1 771755974 BIRBUAVWTSHJHQ-AWEZNQCLSA-N 265.360 3.753 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cc2ccccc2o1 773158586 CNPQQYWCUFTFST-DHDCSXOGSA-N 286.290 3.797 30 20 CHED C[C@@H]1CCC[C@H](C(=O)OCc2cccc(C#N)c2F)C1 774963423 RQPSQCOJMXGYFI-NEPJUHHUSA-N 275.323 3.567 30 20 CHED N#Cc1cc(O)cc(C(=O)Nc2ccc3ccccc3c2)c1 776312529 FBMKFTJHBYPWET-UHFFFAOYSA-N 288.306 3.669 30 20 CHED C=CCSc1ccccc1C(=O)NCCC1CCC1 776864793 MLWDQMSRENMUMC-UHFFFAOYSA-N 275.417 3.885 30 20 CHED COC1CCC(=NN[C@H](Cc2ccccc2)C(C)C)CC1 777449229 UHGBSLLWBMFCFL-QRWMCTBCSA-N 288.435 3.788 30 20 CHED Cc1ccc(C#N)cc1OCc1ccc(CF)cc1 777535541 SLQOLQLQKKNJHW-UHFFFAOYSA-N 255.292 3.915 30 20 CHED Cc1ccc(OCc2cccc(C#N)c2F)c(Cl)n1 777553155 DCFZOCQXJDOXAE-UHFFFAOYSA-N 276.698 3.633 30 20 CHED C=CCOC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C 778146612 BWWNUJRFRPBMFJ-UHFFFAOYSA-N 295.310 3.740 30 20 CHED CC(C)OCCNN=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 778553273 AKBAKUGSGMOPFT-DOTOQJQBSA-N 288.435 3.961 30 20 CHED C#CCSCCN[C@H]1CCSc2cc(C)c(C)cc21 779031251 GRZIDPBCBAQQHS-HNNXBMFYSA-N 291.485 3.796 30 20 CHED C#CCCCN[C@H](CSc1ccccc1)C(C)C 779074439 PXYRUGUGTLOENH-MRXNPFEDSA-N 261.434 3.806 30 20 CHED CC(C)C1(C)CCN(C(=O)/C=C\c2ccccc2C#N)CC1 779223340 CDUHOGGGQBVFRI-HJWRWDBZSA-N 296.414 3.856 30 20 CHED C[C@H]1CC[C@H](OC(=O)CSCc2ccc(C#N)cc2)C1 779262504 GJIREGSFITWYCZ-WFASDCNBSA-N 289.400 3.523 30 20 CHED C#CCCCCCC(=O)N1Cc2ccccc2[C@H](C)C1 779744628 YPVQOZRLKLNULO-OAHLLOKOSA-N 269.388 3.716 30 20 CHED C#CCCCCCC(=O)N(C1CCCCC1)C1CC1 779819697 XIAVULCGUFVXDL-UHFFFAOYSA-N 261.409 3.894 30 20 CHED N#Cc1ccc(C(=O)OC[C@@H]2CCc3ccccc3C2)s1 781660803 WDBGMNZJSDWAAY-GFCCVEGCSA-N 297.379 3.582 30 20 CHED CC(C)Oc1cccc([C@H](C)OC(=O)c2ccc(C#N)[nH]2)c1 781671672 YSHTVWRZFOIDDO-LBPRGKRZSA-N 298.342 3.592 30 20 CHED CCCCNN=C1CCCCC[C@@H]1NC(=O)OC(C)(C)C 783826226 BVDLRSWUVHIEET-ZDUSSCGKSA-N 297.443 3.590 30 20 CHED CC[C@H](C)c1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1 784748179 RDZGSORIAQEMKL-KBXCAEBGSA-N 284.403 3.966 30 20 CHED N#C[C@@H](C(=O)C12CCC(CC1)C2)c1ccc2ccccc2n1 784820986 GNEKYEDKOSJLRC-SHBDPFAUSA-N 290.366 3.991 30 20 CHED C=C(C)COC(=O)Cc1nc(-c2ccc(F)cc2)cs1 787005430 WCOWTFJNDUMMFF-UHFFFAOYSA-N 291.347 3.611 30 20 CHED CC(=NNc1cc(Cl)ccc1Cl)c1ncc[nH]1 790167612 UZBDUYMZTAKOCC-UHFFFAOYSA-N 269.135 3.553 30 20 CHED CCCCCCCCS(=O)(=O)c1cccs1 790170785 QMGAAGUTXAPPJQ-UHFFFAOYSA-N 260.424 3.882 30 20 CHED CC[C@H](C)NN=Cc1ccc(-c2ccc(F)cc2)o1 790188584 KRSOPVHJEDTASO-NSHDSACASA-N 260.312 3.808 30 20 CHED Cc1cccnc1NN=Cc1csc(Br)c1 790192838 GPPMQVQUUGOPLX-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CCNc1ccc(Cl)cc1C(=O)OCCCCC#N 791535855 PHXURBYXQMIWBD-UHFFFAOYSA-N 280.755 3.622 30 20 CHED C=CCC1(C(=O)OCC(=O)c2ccc(Cl)cc2)CCC1 791559583 YUIOXTWXRVSPCF-UHFFFAOYSA-N 292.762 3.812 30 20 CHED C[C@H](NN=Cc1ccc(F)c2cccnc12)C(C)(C)C 793114647 IEVOSQPVIQXLMG-NSHDSACASA-N 273.355 3.732 30 20 CHED COc1ccc([C@@H](C)C(C)=NNC2CCCC2)cc1OC 794506918 VLBBSLYWAXAZJB-LBPRGKRZSA-N 290.407 3.715 30 20 CHED Cc1cccc(/C=C2\COc3cc(F)ccc3C2=O)c1 794726403 CAWJACUWLWUJHJ-MDWZMJQESA-N 268.287 3.793 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Oc1ccc(C#N)c(OC)c1 797004858 GGMOHBRCKOTMBK-DOMZBBRYSA-N 287.359 3.689 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1cc2ccccc2o1 797140642 DREHYIWHJQZNAR-JTQLQIEISA-N 281.267 3.815 30 20 CHED C#Cc1cncc(C(=O)N2CCC[C@H]2CC2CCCCC2)c1 798167381 OQTUGDCLEKFKFB-SFHVURJKSA-N 296.414 3.638 30 20 CHED Cc1ccc(C(=O)NC(C)(C)c2ccc(F)cc2)cc1C#N 799333216 VZJJKAWMIDBDKU-UHFFFAOYSA-N 296.345 3.671 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3c(c2)CCN3C)oc1C 799898185 WBYGVUJAMZNQGI-FNORWQNLSA-N 281.355 3.785 30 20 CHED CC#CC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 801160353 AMJMWLGSYYTBFA-CQSZACIVSA-N 263.768 3.567 30 20 CHED C[C@@H](C#N)OCCSCc1ncc(-c2ccccc2)o1 802749527 GDEIXIPSHYMROR-LBPRGKRZSA-N 288.372 3.503 30 20 CHED C#C[C@H](NC(=O)C(C)=C(C)C)c1ccc(Cl)cc1F 804422937 BKQMUMVZUDDFNW-AWEZNQCLSA-N 279.742 3.626 30 20 CHED N#Cc1ccc(CNc2ccnc3c(Cl)cccc23)nc1 804630406 BDUDCOJIWAXSAL-UHFFFAOYSA-N 294.745 3.767 30 20 CHED C=C(C)COC(=O)c1sc(C)nc1-c1ccccc1 805329798 COCNOSOXODNLAY-UHFFFAOYSA-N 273.357 3.851 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)CCCCCC#N 805885602 ZPSNWMGNMKUTAZ-RDBSUJKOSA-N 251.370 3.828 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@@H]2C[C@@H]21)c1ccccc1 807000956 KYIYUHBVMNXNAK-IKGGRYGDSA-N 284.403 3.888 30 20 CHED CC(=NN[C@H]1CCSC1)c1cc2ccc(C)cc2o1 808004363 MSMXSFYKMACPIC-ZDUSSCGKSA-N 274.389 3.560 30 20 CHED C[C@H](C#N)Oc1ccc(CNC2(C(F)F)CCCC2)cc1 808451421 OKZFFLCYWZFCCR-GFCCVEGCSA-N 294.345 3.645 30 20 CHED CC(C)CN(CCC(=O)C(C)C)Cc1ccc(C#N)cc1 808713672 JMZJVNBZSKGTLO-UHFFFAOYSA-N 286.419 3.631 30 20 CHED C#C[C@H](NCc1ccc(Oc2cccnc2)c(C)c1)C(C)C 809685223 GYWHFPLAWCUYNN-SFHVURJKSA-N 294.398 3.930 30 20 CHED C#C[C@@H](CC)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 809685904 YKPIYOGEKVPUPN-RISCZKNCSA-N 269.310 3.810 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1 811595542 QQAWPDJRDCHAQQ-GDBMZVCRSA-N 281.440 3.763 30 20 CHED c1ccc([C@H]2CCCC2=NNC[C@H]2CCSC2)cc1 811661189 GFLNMFLVJXGLMF-UKRRQHHQSA-N 274.433 3.653 30 20 CHED C=CCCCCCCCNC(=O)N(C)[C@@H](C)C1CC1 812494217 FDFHAVVSXWIMOH-AWEZNQCLSA-N 266.429 3.953 30 20 CHED Cc1cc(C(C)(C)C)ccc1OC(=O)CCCC#N 812828369 UEGLXTUYOVPAJU-UHFFFAOYSA-N 259.349 3.892 30 20 CHED Fc1ccc2ccc(C=NNC3CCCCC3)nc2c1F 814910168 SDOUCZCLDDEMHZ-UHFFFAOYSA-N 289.329 3.769 30 20 CHED CC[C@@H](C=NNc1ncccc1F)c1ccccc1 814926721 GMHBDIRKMNWPCU-LBPRGKRZSA-N 257.312 3.812 30 20 CHED CC[C@@H](C)CON=C1CCC[C@@H](CCCC(=O)OC)C1 814939391 OWQPDNALCUAWRM-KGLIPLIRSA-N 283.412 3.939 30 20 CHED C=CCC[C@@H](C(=O)NOCCC1CC1)c1ccccc1 817383648 SJEDZWDANRWNDE-MRXNPFEDSA-N 273.376 3.584 30 20 CHED N#Cc1cccc(OCC[C@@H]2CC2(Cl)Cl)c1 818054338 OXZFNFSTXYRKMK-SNVBAGLBSA-N 256.132 3.521 30 20 CHED C=C(C)C(C)(C)C(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 819960971 KWIACOITDCKGNE-LBPRGKRZSA-N 289.375 3.852 30 20 CHED C#C[C@H](NC(=O)N(C(C)C)C1CC1)c1ccc(Cl)cc1 820565350 MOQXWUVORAXNJI-HNNXBMFYSA-N 290.794 3.597 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)[C@H]1CCCc2ccccc21 820629425 CHUUEFWLNSUBHT-WBVHZDCISA-N 284.403 3.507 30 20 CHED CC(C)C#CC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 830298269 VFEJZDPDKAHYBS-OAHLLOKOSA-N 296.370 3.541 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(Br)nc1 834883058 HFUDQNUZKMFBKO-JTQLQIEISA-N 283.213 3.707 30 20 CHED CC(=NNc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1O2 834914441 PJAULAMBVUIKGN-MGPQQGTHSA-N 264.756 3.695 30 20 CHED CCCC(=NNc1nccnc1Cl)C1CCCC1 834958577 ULCBQJKKLHFGFV-UHFFFAOYSA-N 266.776 3.888 30 20 CHED C=CCON=C1CC[C@H](c2ccccc2)C[C@@H]1OC 835015062 OUYYNXXJMJCPOL-HOCLYGCPSA-N 259.349 3.528 30 20 CHED CC/C(C)=C\C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 835103791 MXBFLUIHFZUKNB-BIRHUZIMSA-N 297.383 3.738 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)cc1C#N 836890999 YQUMCEQFJFHWJE-IAGOWNOFSA-N 284.403 3.619 30 20 CHED N#C[C@]1(C(=O)OCc2ccccc2Cl)CC12CCCC2 837901522 CQQXHKPZCCLLPF-INIZCTEOSA-N 289.762 3.857 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2sccc2C2CC2)C1 839053448 SEXBQRSQDFZGGC-ZYHUDNBSSA-N 275.373 3.865 30 20 CHED CC(C)(C)CCCC(=O)O[C@H]1CCC[C@@H](C#N)C1 839053520 SWMCQQXNSAKZQE-OLZOCXBDSA-N 251.370 3.828 30 20 CHED CCCCCCCCCC(=O)N[C@@H](C)c1csnn1 839883686 HZSMYYPOXFSKPE-LBPRGKRZSA-N 283.441 3.856 30 20 CHED Cc1cc(C(=O)CSCCC#N)c(C)n1-c1ccccc1 840214442 VZVKQYUTAFDQQR-UHFFFAOYSA-N 298.411 3.924 30 20 CHED CCCSCC(=O)OCCC1(C#N)CCCCC1 840519846 AWLVHBKCJMRSGV-UHFFFAOYSA-N 269.410 3.537 30 20 CHED CC[C@H](C)[C@H](C/N=C/c1cc(Cl)ccc1O)OC 840705579 FCEJBRIOBQBVLJ-XWKQBCLZSA-N 269.772 3.526 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cc(OC)ccc1O 840971039 FGTYFEFPVCZNOA-QGZVFWFLSA-N 297.398 3.678 30 20 CHED Clc1cccc([C@@H]2CCC(=NNC3CCOCC3)C2)c1 841629350 MPAOVHOURDHQMX-CYBMUJFWSA-N 292.810 3.732 30 20 CHED CC(=NNc1ncncc1Cl)[C@@H]1C[C@H]1c1cccs1 841638936 XVCBZEKPSYAYGP-VHSXEESVSA-N 292.795 3.783 30 20 CHED CCC(C=NNc1ccc(CC(=O)O)cc1)(CC)CC 848415118 WPRAPIJUXCKVGF-UHFFFAOYSA-N 276.380 3.928 30 20 CHED C=CC[C@@H](NCc1cccc(CC)c1O)c1ccncc1 848897352 PKKPINOQKSBYGI-QGZVFWFLSA-N 282.387 3.757 30 20 CHED C=C[C@H](OC(=O)c1ccc2c(c1)CCOC2)C(C)(C)C 851008140 MBGBVIMSXUXKDB-HNNXBMFYSA-N 274.360 3.517 30 20 CHED C=CC(C)(C)CCOC(=O)c1cc(F)cc2nccnc12 851298587 GTKGATGTZPPATD-UHFFFAOYSA-N 288.322 3.528 30 20 CHED Cc1cc(NN=C2CCC(=C3CCC3)CC2)ncn1 853306501 QMEPDMGDHOCSAF-UHFFFAOYSA-N 256.353 3.607 30 20 CHED CC(C)(C)c1nc(C=NOCC2CCC2)cs1 853440206 XUVPJWVUHZUHAQ-UHFFFAOYSA-N 252.383 3.591 30 20 CHED C#CCCc1noc([C@H]2CCC[C@H]2Cc2ccccc2)n1 854030264 RRXQNPVWESXZJL-HOTGVXAUSA-N 280.371 3.762 30 20 CHED C=CCC1(NC(=O)/C(C)=C/c2ccc(C)cc2)CCOCC1 855686488 JRKOKFSRGPVYOP-JQIJEIRASA-N 299.414 3.640 30 20 CHED CCCCCCCNC(=O)N[C@@H](C)c1cncc(F)c1 858112145 GVAIZOLSWWUVBP-LBPRGKRZSA-N 281.375 3.551 30 20 CHED C=C[C@](C)(CCOC)COC(=O)C[C@@H](C)c1ccco1 860687713 LAYDYTUFBXQPIP-CZUORRHYSA-N 280.364 3.545 30 20 CHED Cc1cccc(NN=C2CCC[C@H]2c2ccccn2)n1 863160221 VQACZAJAHPJNLC-ZDUSSCGKSA-N 266.348 3.521 30 20 CHED N#Cc1cccc(SCC2(Br)CC2)c1 863308702 JROLGGMWHRVAJD-UHFFFAOYSA-N 268.179 3.578 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(SC(F)(F)F)o1 864833043 VTEPNNYVLNBZSN-UHFFFAOYSA-N 293.310 3.930 30 20 CHED CCC[C@@H](C#N)NC(=O)/C=C\c1ccccc1C(F)(F)F 865081632 KCIOMNZIAONDCZ-LAUAKBEESA-N 296.292 3.527 30 20 CHED COCc1cc(NC2CCC(C)(C#N)CC2)ccc1OC 866500271 CJXPVDYAAGELHW-UHFFFAOYSA-N 288.391 3.726 30 20 CHED CC(C)CC1CCN(C(=O)c2ccccc2CC#N)CC1 866617700 NUYATHCURCHQLU-UHFFFAOYSA-N 284.403 3.651 30 20 CHED CC[C@@H](C#N)C(=O)Nc1nc2c(F)ccc(Cl)c2s1 869820450 SEXUHGSTNYALFN-LURJTMIESA-N 297.742 3.577 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCC(F)CC1 879495680 SLBGWINJIHTGFS-UHFFFAOYSA-N 276.355 3.771 30 20 CHED C=C1CCC(C(=O)OCc2csc([C@@H](C)OC)n2)CC1 885649815 LDDWJBKSUFOTJU-LLVKDONJSA-N 295.404 3.640 30 20 CHED C=C1CN(C(=O)c2ccccc2SCC=C(C)C)C1 898697312 SUBUOVZUVILTFE-UHFFFAOYSA-N 273.401 3.757 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CSCCCC 914610972 UBIJGRQOZOEWOT-UHFFFAOYSA-N 277.433 3.735 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2cccc(F)c2)c1 914773812 YCUVKPVHVGHHEE-WQRHYEAKSA-N 273.307 3.549 30 20 CHED COc1ccccc1C(C)=NNc1ccc(C)cc1 916249925 DSQJACWUUGKYNV-UHFFFAOYSA-N 254.333 3.840 30 20 CHED C=CCN(Cc1cc(-c2ccc(F)cc2)no1)C(C)C 917069502 QGTGKCIXNHYNAJ-UHFFFAOYSA-N 274.339 3.877 30 20 CHED CCCCCCCCCNC(=O)N(C)C[C@@H]1CCCCO1 919653987 CYTLZTNSNNGZBM-INIZCTEOSA-N 298.471 3.948 30 20 CHED CCC/C(C)=C\C(=O)Nc1sc(C)c(C)c1C#N 920216279 MWDMKWRMDVOIFC-CLFYSBASSA-N 262.378 3.922 30 20 CHED C=CCOc1ccc(CNC[C@H]2CC2(Cl)Cl)cc1 920956713 PEEMMTZWHZCEOY-GFCCVEGCSA-N 286.202 3.535 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc(OCC(C)(C)O)cc1 926092107 XINJQWUMQIBJKD-CYBMUJFWSA-N 290.407 3.577 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](C#N)C1 928220621 JOFJLQYZXGWMDD-CVEARBPZSA-N 276.424 3.745 30 20 CHED Cc1ccc(OC(=O)CC(C)(C)C#N)c2c1[C@H](C)CC2=O 1116815571 RTQHCLULBBZERX-LLVKDONJSA-N 285.343 3.530 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1118851479 BOJMNQKSRIZAET-JTQLQIEISA-N 296.773 3.986 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCc1cc(C)on1 1123065966 REVGVHWKNRSVGR-HIFRSBDPSA-N 277.364 3.594 30 20 CHED Cc1cc(C#N)ccc1Oc1nc2ccccc2nc1F 1185170536 KAKKKWPHGLILPE-UHFFFAOYSA-N 279.274 3.741 30 20 CHED CC(C)(C)[C@H]1CCCN(c2ncc(C#N)cc2F)CC1 1306964666 FKZLBMOVTIMBQA-ZDUSSCGKSA-N 275.371 3.745 30 20 CHED CC[C@@](C)(NCCC(C)(C)C#N)c1ccc(F)cc1 1307992376 YGTCSZVUNTZGCR-MRXNPFEDSA-N 262.372 3.980 30 20 CHED CC(C)c1nc(CN[C@H]2CCc3cc(C#N)ccc32)cs1 1321051147 GMGPJYNANRDHJH-INIZCTEOSA-N 297.427 3.915 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccc(-c2ccncc2)cc1 1321242717 YZTBQVPXWSMXQT-KDOFPFPSSA-N 282.387 3.600 30 20 CHED C#CCCCCCC(=O)NCc1cccc(Cl)c1F 1325066313 QQKDRHFLWUQFDS-UHFFFAOYSA-N 281.758 3.679 30 20 CHED CCc1ccc([C@H](C)C(=O)N[C@@H](C#N)C2CCCC2)cc1 1331519478 HXUHBKZXSZQIOE-GUYCJALGSA-N 284.403 3.551 30 20 CHED C=C1CCN(C(=O)Nc2cc(-c3ccccc3)ns2)CC1 1335906125 MNQJVBBYLYKLFL-UHFFFAOYSA-N 299.399 3.994 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1csc(-c2ccccc2)n1 1337715814 LARDTHKIEMNLSF-CYBMUJFWSA-N 299.399 3.574 30 20 CHED CSc1ccc(CCC(=O)O[C@@H](C)C(C)(C)C#N)cc1 1345131498 BWBKIAKZWAZPOV-LBPRGKRZSA-N 291.416 3.823 30 20 CHED C=C(CC)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1347532405 VLPVSDACPASDNF-MQMHXKEQSA-N 263.768 3.668 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1scnc1CC 1350062062 NNWDKINXKRQLNW-NSHDSACASA-N 279.409 3.668 30 20 CHED C=C1CCC(C(=O)Nc2ccc(Cl)cc2C#N)CC1 1353510367 XSNLYPDCOLCKPI-UHFFFAOYSA-N 274.751 3.897 30 20 CHED Cc1nc(C#N)cc(NCCc2csc3ccccc23)n1 1472661614 GIJVDXJHGRZGAC-UHFFFAOYSA-N 294.383 3.526 30 20 CHED CC1(C)CCC(C)(CNCc2cccc(C#N)n2)CC1 1474582354 IIJWDOGSMYDODT-UHFFFAOYSA-N 271.408 3.649 30 20 CHED C=CCC(CC=C)C(=O)N=[S@@](C)(=O)c1ccccc1F 1514952750 NJFPTHKSAWOORJ-FQEVSTJZSA-N 295.379 3.577 30 20 CHED CC[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)[C@@H]1CC1(C)C 1536675084 JLCKMQZHLXSOKN-JYJNAYRXSA-N 284.403 3.625 30 20 CHED C=C(CC)C(=O)N(CCC)[C@@H]1CCCc2cccnc21 1548687710 UQBBPHQABHMUEV-OAHLLOKOSA-N 272.392 3.664 30 20 CHED CCCN(Cc1ccc(F)cc1F)c1ccnc(C#N)c1 1559084894 OONSZTCMHRUVFW-UHFFFAOYSA-N 287.313 3.648 30 20 CHED CC1(C)CCC(C)(CNC(=O)Cc2ccc(C#N)cc2)CC1 1585140231 KHSGUQGZTIFVFM-UHFFFAOYSA-N 298.430 3.823 30 20 CHED CCCCCCCN1CC[C@H](C(=O)O)[C@@H]2CCCC[C@H]21 1595704705 WVUYJFJZOGWXTC-HRCADAONSA-N 281.440 3.922 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCC[C@H]1C(=O)O 1595704858 KGWFIVAKPGZINO-MJBXVCDLSA-N 255.402 3.578 30 20 CHED C#Cc1ccc(CNc2ccc(C[C@H](C)C(=O)O)cc2)cc1 1602738440 AUAAAUTUZFTYGK-AWEZNQCLSA-N 293.366 3.543 30 20 CHED C[C@H](CNc1nc(C#N)c(Cl)s1)Oc1ccccc1 1611994083 QKMKJCDKIQGMRN-SECBINFHSA-N 293.779 3.548 30 20 CHED CCN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@H](C)C#N 1618764727 RHZFLLKGHUTIEN-CQSZACIVSA-N 294.354 3.853 30 20 CHED CC(C)C[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 1642268603 IGPJFZAGPHTRHH-SFHVURJKSA-N 270.420 3.859 30 20 CHED CCc1ccc2c(c1)CCN(c1c(C#N)cccc1C#N)C2 1655955210 BEJZVUCTFXKXNW-UHFFFAOYSA-N 287.366 3.555 30 20 CHED CC[C@@H]1CCC[C@H](C=NNc2cccc(C(=O)O)c2)C1 1776036982 DQAQQIGIEZPEEG-OLZOCXBDSA-N 274.364 3.999 30 20 CHED Cc1ccc(SCC(=O)Nc2ccc(C#N)cc2)cc1C 6865925 GNNVNVFHAAVHSC-UHFFFAOYSA-N 296.395 3.906 30 20 CHED N#Cc1cccc(/C=C/C(=O)c2cccc(F)c2)c1 21956594 WMUXSFLOLZVWFQ-BQYQJAHWSA-N 251.260 3.593 30 20 CHED O=C1/C(=C/c2ccc(-n3cccn3)cc2)Cc2ccccc21 26133060 QWKIEKHQGBFOAJ-FOWTUZBSSA-N 286.334 3.695 30 20 CHED C[C@@H](CNc1ccc(CC#N)cc1)c1ccccc1 37071204 UMIBWRQNTBMRFZ-AWEZNQCLSA-N 250.345 3.968 30 20 CHED N#Cc1ccc(NC(=O)CCc2cccc(Cl)c2)cc1 48391064 YOPVRRIZZVZKQV-UHFFFAOYSA-N 284.746 3.783 30 20 CHED CCC1CCC(N(C)CCOc2cccc(C#N)c2)CC1 49024142 PKNWGKBSAJTACB-UHFFFAOYSA-N 286.419 3.838 30 20 CHED COc1ccc([C@H]2CCCN2CCCCC#N)cc1 57590757 RDEGLWRKVURCOQ-MRXNPFEDSA-N 258.365 3.526 30 20 CHED CCOc1ccc2c(c1)CN(c1cccc(F)c1C#N)CC2 63992468 XVWFFFNHCSHLHV-UHFFFAOYSA-N 296.345 3.659 30 20 CHED N#CC1(C(=O)Oc2cccc(Cl)c2Cl)CCCC1 70808276 DBJMJBTYBOXGHD-UHFFFAOYSA-N 284.142 3.983 30 20 CHED N#Cc1ccc(OC(=O)CCc2cc(Cl)cs2)cc1 78167857 IYLZQRHFRHCFRQ-UHFFFAOYSA-N 291.759 3.811 30 20 CHED N#Cc1ccc(COc2cccc3c2CCCC3=O)cc1 88152561 POMKRFQSGBDMTA-UHFFFAOYSA-N 277.323 3.656 30 20 CHED C#CCCCCN[C@H](CC)c1ccc(N(C)C)cc1 90398533 SFPQBLRGNZIBLZ-QGZVFWFLSA-N 258.409 3.597 30 20 CHED CC[C@H](C)CN(C)Cc1cccc(OCCCC#N)c1 91796263 URLFYTPTORGBBU-HNNXBMFYSA-N 274.408 3.847 30 20 CHED Cc1nsc(Nc2ccc(OC(C)C)cc2)c1C#N 92912280 LGEWSZQAGMTSJB-UHFFFAOYSA-N 273.361 3.854 30 20 CHED N#Cc1ccc(OCCCSc2ccncc2)cc1 94614247 SZWZAMXVNIEKHW-UHFFFAOYSA-N 270.357 3.514 30 20 CHED CCN(CCC#N)C(=O)c1oc2ccc(Cl)cc2c1C 103208381 YFGKDBBULDBTQK-UHFFFAOYSA-N 290.750 3.770 30 20 CHED CC(C)N(CCCC(C)(C)C#N)Cc1cccnc1 119770425 RMHOJYNMTHTXBQ-UHFFFAOYSA-N 259.397 3.622 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 120108088 STLAJGMRZQFTLZ-WDEREUQCSA-N 284.302 3.550 30 20 CHED Cc1nc2ccccc2nc1SCCC(C)(C)C#N 123946664 JNZZILLDMBKWBZ-UHFFFAOYSA-N 271.389 3.970 30 20 CHED C=CCCO[C@@H](C)C(=O)N(Cc1ccc(C)s1)C(C)C 125444813 CFOFSVATVDLDRM-AWEZNQCLSA-N 295.448 3.775 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CC[C@@H](C)c1ccccc1 132120348 PUDFUOKULKTRND-LSDHHAIUSA-N 272.392 3.578 30 20 CHED C=C(Cl)CNCc1c(OC)ccc2ccccc12 134792152 MFSLPEKOPGZNFI-UHFFFAOYSA-N 261.752 3.691 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 135120022 OLZBOPJBRCJXIX-SJCJKPOMSA-N 299.374 3.516 30 20 CHED C=CCN(Cc1ccccc1)C(=O)Nc1ncccc1C 145545534 MZANRSZKPLVEFQ-UHFFFAOYSA-N 281.359 3.610 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1Cl 150832596 AVZXFSYPXYHOAE-SSDOTTSWSA-N 259.136 3.689 30 20 CHED CCN(CCC(C)(C)C#N)[C@@H](C)c1ccc(C#N)cc1 157703761 QORVHHRUBBZOAN-AWEZNQCLSA-N 269.392 3.881 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccc(CC)o2)c1C 160723495 ULQLBSKMHUGWRV-CMDGGOBGSA-N 286.375 3.961 30 20 CHED C[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccc(F)cc1F 161890144 UQKJDBGMHDMIPL-QMTHXVAHSA-N 294.345 3.513 30 20 CHED C#CCCCCNCc1ccc(F)c(C(F)(F)F)c1 163219287 KIJRXCBPLLTRFK-UHFFFAOYSA-N 273.273 3.738 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc(C(F)F)c1 171119715 SGUCLGXTKRPUTP-LBPRGKRZSA-N 294.345 3.625 30 20 CHED C#CCOc1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1 172112714 ZCRGURJNOMUOIL-FQEVSTJZSA-N 291.394 3.940 30 20 CHED N#CCCCC[S@](=O)Cc1ccccc1C(F)(F)F 172820620 JVYNXYAXYIULDK-IBGZPJMESA-N 289.322 3.648 30 20 CHED CC(C)(C)c1ccc(CNCc2ccc(C#N)o2)cc1 174323235 LYJQDZZWMCHBQN-UHFFFAOYSA-N 268.360 3.739 30 20 CHED CC(C)(CCC#N)CNCCOC1CCCCCC1 174408070 LKRWULPBBGFHQL-UHFFFAOYSA-N 266.429 3.645 30 20 CHED CC(C)(C#N)CCCN1CCO[C@@H](c2cccc(F)c2)C1 174843338 KBDPNZWPKRZVDS-MRXNPFEDSA-N 290.382 3.529 30 20 CHED C=CCCCC(=O)N1CCC[C@H]1CCc1ccccc1 175363300 GHHWONFUDKJMOT-KRWDZBQOSA-N 271.404 3.967 30 20 CHED COc1csc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 175774369 QZAVCRWKYMVSBL-SNVBAGLBSA-N 287.340 3.546 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C/c1ccccc1O 175900343 QUFFMVQGIUIJCA-HYIULROMSA-N 263.406 3.875 30 20 CHED C[C@@H](CN(CCC#N)Cc1cccnc1)c1ccccc1 176359021 ORKUSEQSSUHGCU-INIZCTEOSA-N 279.387 3.601 30 20 CHED CC(C)[C@H](C#N)OC(=O)c1cc2ccccc2s1 176797184 MJAXCOHTGPQACB-NSHDSACASA-N 259.330 3.606 30 20 CHED N#CC1(c2nc(CCc3ccccc3)no2)CCCCC1 177731319 QPOPQAKHMLXXKP-UHFFFAOYSA-N 281.359 3.580 30 20 CHED Cc1ccccc1C[C@H](C)NCc1ccc(C#N)cc1F 177859383 AUIKFLZSUQAGFM-AWEZNQCLSA-N 282.362 3.727 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCC[C@H](C)C1 178375954 JLKJIATVBUACMF-AAEUAGOBSA-N 256.349 3.632 30 20 CHED C=C(C)CN(C)[C@H](C)c1ncc(-c2ccccc2)o1 181333662 SGJARGKMIHXLAX-CYBMUJFWSA-N 256.349 3.911 30 20 CHED CC#CCNc1cc(NC(=O)CCC)ccc1Cl 182310047 YPGGABSCCWXALR-UHFFFAOYSA-N 264.756 3.514 30 20 CHED Cc1cccc([C@H](NC(=O)NC[C@@H](C)C#N)C(C)(C)C)c1 182702718 UIVBZINRHYGCKW-ZFWWWQNUSA-N 287.407 3.541 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(F)c(F)cc1F 183103287 DPQNDFHTPONVPK-SECBINFHSA-N 286.297 3.970 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc2ccccc2o1 187159694 MGMNZNLDKOJCGW-UHFFFAOYSA-N 291.306 3.697 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCCN(C2CCCC2)CC1 189896973 SDVULCKJJAWBLQ-MRXNPFEDSA-N 297.446 3.570 30 20 CHED C#CCCCC(=O)Nc1ccc(C)cc1OCCC 192204475 NZKUIDZBEIFBIT-UHFFFAOYSA-N 259.349 3.526 30 20 CHED C#CCCCC(=O)Nc1cccc(NC2CCCC2)c1 192348555 LHIVENSDAVUOLW-UHFFFAOYSA-N 270.376 3.783 30 20 CHED CC(C)c1ccccc1OC(=O)c1ccccc1OCC#N 194095287 GIXAVLGCTRQVCO-UHFFFAOYSA-N 295.338 3.932 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(OC)c(O)c1)c1ccccc1 195199357 VRONBGQTAPSOTL-HNNXBMFYSA-N 297.354 3.699 30 20 CHED C=CCCCCCNc1ccc(F)c(NC(C)=O)c1 195447504 WVHJEOLDGVEPJY-UHFFFAOYSA-N 264.344 3.942 30 20 CHED Cc1cc(C)c(C#N)c(NCCO[C@H]2CCCC[C@@H]2C)n1 195667705 PXEMRVHACARPFV-LRDDRELGSA-N 287.407 3.577 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N1CCC[C@@H]2CCCC[C@@H]21 213337758 ZSACFQIMPPCILT-GGERZCOJSA-N 294.398 3.753 30 20 CHED CN(Cc1ccccc1Cl)Cc1cccc(C#N)c1F 219507913 OHGMPJSIDUMMCJ-UHFFFAOYSA-N 288.753 3.983 30 20 CHED N#Cc1cc(N[C@H]2CCO[C@H]2C2CC2)ccc1C(F)(F)F 231718718 JLNXPNXWOXJRPC-KBPBESRZSA-N 296.292 3.556 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 243730041 PSYSDEZQHNBFST-DSRCVFDASA-N 283.375 3.504 30 20 CHED O=C(NCC#Cc1ccccc1)c1ccc2ccccc2c1 247408007 OVXMSFAKACENHM-UHFFFAOYSA-N 285.346 3.621 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@H]1C[C@H]2CC[C@H]1C2 251731564 ZVSSOASGHZAHQT-JUFZMCDQSA-N 285.347 3.703 30 20 CHED COc1ccc(Cl)cc1C(=O)/C=C\c1c(C)noc1C 255194093 PNUAHEHXSSIGAT-WAYWQWQTSA-N 291.734 3.850 30 20 CHED CN(CCc1ccc2ccccc2c1)CC(C)(C)C#N 258821200 ADVWBNDAZXWIJU-UHFFFAOYSA-N 266.388 3.864 30 20 CHED CN(C(=O)[C@H]1CCCc2ccccc21)c1ccccc1C#N 268718860 HLXKPVYLMLIOFB-KRWDZBQOSA-N 290.366 3.641 30 20 CHED CCCN(C(=O)Nc1ccc(C#N)cc1Cl)C1CC1 269135152 MJZOXIHCRNAMCA-UHFFFAOYSA-N 277.755 3.618 30 20 CHED Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1F 269619767 PQUWNDNXOXFRHY-UHFFFAOYSA-N 280.346 3.785 30 20 CHED C=CCN(C(=O)C[C@H](C=C)c1ccccc1)C1CC1 271432549 BJOPYWNMEDOXBD-AWEZNQCLSA-N 255.361 3.523 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@@H]2CCO[C@H](CC)C2)c1 272737525 MHHBPKQEKDKDDP-SJLPKXTDSA-N 299.414 3.616 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Nc1cccc(OCC#N)c1 273273260 HZKCFLATGZAZGR-ZDUSSCGKSA-N 288.391 3.990 30 20 CHED CC[C@H](NC(=O)CC(C)(C)C#N)c1ccc(Cl)s1 278291102 HALHYCHFPOPYIM-VIFPVBQESA-N 284.812 3.909 30 20 CHED CC(C)[C@H]1CN(C(=O)CC(C)(C)C#N)c2ccccc21 278303923 CYKDGTVPPATFCG-CQSZACIVSA-N 270.376 3.713 30 20 CHED CN(Cc1cccc(Cl)c1Cl)C(=O)CC(C)(C)C#N 278618084 WUYIKQOREOZFCZ-UHFFFAOYSA-N 299.201 3.892 30 20 CHED COC[C@@H](NCCC(C)(C)C#N)c1ccc(Cl)cc1 278882539 PHYPHVJNULVUEV-CQSZACIVSA-N 280.799 3.557 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2Cc3ccccc3C2)cc1 280653922 ZRFURGMKGDLOMU-UHFFFAOYSA-N 290.366 3.644 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(F)c(F)c1O 281654224 PXBGZEZXXSOTLX-ZJUUUORDSA-N 255.308 3.676 30 20 CHED CC[C@H](C)CCC(=O)Nc1scc(C)c1C#N 288675534 BQAFUMCXUYWWGT-VIFPVBQESA-N 250.367 3.693 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@@H]1c1cc(C)ccc1C 290370640 LZOYYRACUOGYIN-QGZVFWFLSA-N 296.418 3.731 30 20 CHED Cc1ccc2sc(C(=O)N(C)[C@@H](C)CC#N)cc2c1 290503386 USKOZPBJRMQKCD-NSHDSACASA-N 272.373 3.584 30 20 CHED C=C(Cl)CNC(=O)CCCc1ccccc1Cl 290632485 YUYJYAMWSBSZOP-UHFFFAOYSA-N 272.175 3.531 30 20 CHED C=CCOc1ccccc1C(=O)N1CC2(CCC2)[C@H]1C1CC1 291901529 KXIWLVXESUHYME-QGZVFWFLSA-N 297.398 3.656 30 20 CHED C=CC(C)(C)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F 294841617 BMEGLJUVPLTJPZ-CYBMUJFWSA-N 299.336 3.879 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 295597684 OWGUFPHSMHZXIZ-SJCJKPOMSA-N 270.376 3.681 30 20 CHED C=CC(C)(C)c1nc(Cc2ccc(OC(F)F)cc2)no1 295767276 ABOMMPNSCUMBBA-UHFFFAOYSA-N 294.301 3.725 30 20 CHED CCOc1cc(CN(CCC#N)CCC(C)C)ccc1O 297669425 JZBZATGCKUKIGX-UHFFFAOYSA-N 290.407 3.553 30 20 CHED C=CCN(CC1CCCCC1)[C@@H](C)c1nnc(C)s1 298813010 AJVBNOKKLJMZKC-LBPRGKRZSA-N 279.453 3.976 30 20 CHED N#Cc1ccc(NC[C@@H](O)c2ccc3ccccc3c2)cc1 301069465 FKDKQZYZRYHVDM-LJQANCHMSA-N 288.350 3.857 30 20 CHED CCCCN1CCC(Nc2c(Cl)cccc2C#N)CC1 301369348 OXBKRYWMNYZUTI-UHFFFAOYSA-N 291.826 3.888 30 20 CHED CC[C@@H]1CN(c2ccc(C#N)nc2)CC[C@@H]1c1ccccc1 301509563 AITMMJJLXMADSQ-BEFAXECRSA-N 291.398 3.973 30 20 CHED N#Cc1cc(F)ccc1NCc1c(F)c(F)cc(F)c1F 301599918 YPHGNYIWTGIKAL-UHFFFAOYSA-N 298.214 3.866 30 20 CHED CCSCC[C@H](C)N(C)c1snc(Cl)c1C#N 301748307 SBHJKLWYEAWPMC-QMMMGPOBSA-N 289.857 3.636 30 20 CHED COc1cc(C)cc(CNc2cc(C(C)=O)ccc2C#N)c1 302120447 FVFZZDCBBWELJM-UHFFFAOYSA-N 294.354 3.690 30 20 CHED C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H]2CCCC[C@H]12 302134002 CSALTNOZCSOIQF-JTNHKYCSSA-N 275.783 3.622 30 20 CHED COc1ccc(C#N)cc1CN[C@]1(C)CCCC[C@@H]1C 308717185 XIPTZYFFPZZESE-SUMWQHHRSA-N 272.392 3.625 30 20 CHED CSc1ccc(Oc2ccc(C#N)c(C)n2)cc1 310908417 OJFPROSNLTWNHE-UHFFFAOYSA-N 256.330 3.776 30 20 CHED Cc1nc(Sc2ccc(C(F)(F)F)cn2)ccc1C#N 312513694 SJELPUKTGICALT-UHFFFAOYSA-N 295.289 3.827 30 20 CHED N#CC1(CN2CCCC[C@@H]2c2nc3ccccc3o2)CC1 329184577 FYNWUXUWACTSAQ-CQSZACIVSA-N 281.359 3.659 30 20 CHED O/C(=N/C[C@H]1CCc2ccccc21)c1conc1C1CC1 329444895 CFBYSOPOGNSBRP-CYBMUJFWSA-N 282.343 3.587 30 20 CHED CC(C)c1ncc(N=C(O)[C@@H]2Cc3ccccc3S2)cn1 330067080 UDCVQZYUWCCKJS-AWEZNQCLSA-N 299.399 3.905 30 20 CHED CC(C)(C)c1cnc(N/C(O)=N/C[C@H]2CCSC2)s1 331324370 NLAKORRXQLPBLQ-SECBINFHSA-N 299.465 3.520 30 20 CHED C[C@H]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl 334525592 KNNOHBDHRNVECF-CMPLNLGQSA-N 276.767 3.781 30 20 CHED N#Cc1cscc1C(=O)N1CC2(CCC2)[C@H]1c1ccco1 334815839 DIBCPILTIDAHKU-CQSZACIVSA-N 298.367 3.580 30 20 CHED Cc1cc(N2CCC[C@H]2c2ccsc2)c(C#N)cn1 335149618 AIMHPRGVKPTMLC-AWEZNQCLSA-N 269.373 3.665 30 20 CHED CC(C)(C#N)c1nc(Cc2cc(Cl)ccc2Cl)no1 335676497 WRVVEUYRYURBEM-UHFFFAOYSA-N 296.157 3.768 30 20 CHED N#Cc1ccc(NC(=O)c2cccnc2C2CC2)cc1Cl 335986460 WCNCDPFYRDVBFY-UHFFFAOYSA-N 297.745 3.736 30 20 CHED Cc1cnc([C@H](C)Sc2ccc(C#N)cc2F)o1 336351388 ZJJFTLXYGZYDSX-VIFPVBQESA-N 262.309 3.847 30 20 CHED CC[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 336466306 WCTSNVIGSUJNDH-OAHLLOKOSA-N 270.376 3.502 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](C(C)(C)C)C1 338002262 YPSPQVWKZBNXQK-OAHLLOKOSA-N 284.403 3.765 30 20 CHED CCN(C[C@@H](OC)c1ccc(Cl)cc1)C[C@@H](C)C#N 338235005 JPNHBZULBFSFAA-SWLSCSKDSA-N 280.799 3.509 30 20 CHED Cc1cncc(CNc2c(Cl)cccc2C#N)c1 340574696 QFIDAGVGTALXRF-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1cc(N(C)Cc2nc3ccccc3s2)cc(C#N)n1 341342238 GMWPCPJBDGCLOK-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C=CCC1(C(=O)Nc2cccc3ocnc23)CCC1 341634568 OWVVCRHNMPTAHT-UHFFFAOYSA-N 256.305 3.513 30 20 CHED CCS[C@H]1CCC[C@H](Nc2cc(C#N)cc(C)n2)C1 342818268 VLTQCVHROMZZBG-KBPBESRZSA-N 275.421 3.738 30 20 CHED C=CC[C@H](CC)NC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C 343772251 QLFGQQBEKWXBCZ-ZDUSSCGKSA-N 290.407 3.734 30 20 CHED N#CCN1CCC(c2c(Cl)cccc2Cl)CC1 344024385 ICDTVIYYDGSUOY-UHFFFAOYSA-N 269.175 3.696 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1scnc1C1CC1 344046107 KMXHUQVJMODWOB-CYBMUJFWSA-N 250.367 3.561 30 20 CHED Cc1cccnc1SCc1cccc(C#N)c1F 344602359 ISPWKHGWNGNXHU-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=C[C@H](CC(=O)NCC(C)(C)CCC#N)c1ccccc1 345888761 PXEHKPPYKQJZJT-OAHLLOKOSA-N 284.403 3.792 30 20 CHED C=C(C)CCc1noc(-c2cc3c(C)nn(C)c3s2)n1 349785064 OEPAMOWFZAXXHS-UHFFFAOYSA-N 288.376 3.502 30 20 CHED C=C(C)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 352819217 WFTKMESUHRNGFE-ZDUSSCGKSA-N 274.191 3.583 30 20 CHED CC(C)C1(CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 356371870 SAPYXHFSLQRLNC-INIZCTEOSA-N 284.403 3.626 30 20 CHED C=CCC1(C(=O)Nc2cc(C)c(O)c(C)c2)CCC1 359769900 QMXXYALAKVQQCJ-UHFFFAOYSA-N 259.349 3.694 30 20 CHED CC(C)(CCC#N)CN1CCC(F)(c2cccnc2)CC1 375303993 QRBXKCODJOIDRV-UHFFFAOYSA-N 289.398 3.672 30 20 CHED N#Cc1cc(Br)ccc1N[C@H]1CCC[C@H]1F 382388634 LKKNYWUIZXLNNY-PWSUYJOCSA-N 283.144 3.623 30 20 CHED COc1cc(C#N)ccc1NCCCCC1CCOCC1 384972485 HOWFTHMMBMLSSO-UHFFFAOYSA-N 288.391 3.576 30 20 CHED CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1ccc(OCC#N)cc1 385884754 XVVHRXFJOUDOPP-FRFSOERESA-N 272.392 3.674 30 20 CHED N#Cc1cccc(CN[C@H]2CCCC23CCCC3)c1 392847582 GXEAXDDSNSTMPL-INIZCTEOSA-N 254.377 3.761 30 20 CHED CCOc1ccccc1NCc1ccc(CC#N)cc1 399115099 FVYRSTPJKTXYKD-UHFFFAOYSA-N 266.344 3.763 30 20 CHED CC(C)(CC(=O)Nc1cccc(CC#N)c1)C1CC1 405787854 PPSAHUYWFZTLNO-UHFFFAOYSA-N 256.349 3.517 30 20 CHED C=CC[C@H](CC)NC(=O)CSCc1cccc(C)c1 410130466 MAFACUZBCFESDA-HNNXBMFYSA-N 277.433 3.699 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCOc1ccc(Cl)cc1 410142296 KSKMANUHHHFIIH-CQSZACIVSA-N 295.810 3.970 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCC[C@H](C)C1 411075017 XDJILOLLCUEPGJ-SMDDNHRTSA-N 284.359 3.526 30 20 CHED COc1ccc(C[C@H]2CCCN([C@H](C)CCC#N)C2)cc1 411305248 DYQQWMIQQFOIRR-NVXWUHKLSA-N 286.419 3.642 30 20 CHED N#Cc1cc(F)ccc1CN1CCSC2(CCC2)CC1 411869960 NUTYOSICWOEXJS-UHFFFAOYSA-N 290.407 3.559 30 20 CHED C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H](C)C1 412204994 JEFGVSWQBKHJCU-KJWYOANISA-N 296.414 3.556 30 20 CHED N#Cc1cnc(N2CCCC3(CCCCC3)C2)c(F)c1 413135281 JQRDEEDKSDSTCR-UHFFFAOYSA-N 273.355 3.643 30 20 CHED CCOc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 414161865 GFEVQYKYOUZKBA-CYBMUJFWSA-N 260.381 3.676 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(C)n(C)n1 414298525 IXLWQQRXKJXXJL-WBVHZDCISA-N 283.419 3.567 30 20 CHED C=CCN(C(=O)Cc1cccc(OCC=C(C)C)c1)C1CC1 415378941 ITLHGFRBMKDHRX-UHFFFAOYSA-N 299.414 3.751 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc(F)c1C 421532821 RFILJKXKXSJMTI-UHFFFAOYSA-N 276.355 3.679 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC(F)F)c1 424322818 IPMYRTQTAADYRU-NTZNESFSSA-N 280.318 3.631 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(CSC)cc1 424838527 OMPZKGLMKXVKOQ-UHFFFAOYSA-N 277.433 3.768 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCCSCC(C)C 425915515 JPLSWAPIQLWOLM-CQSZACIVSA-N 284.469 3.516 30 20 CHED C=CCC[C@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl 426121534 BPPHMBUSEXTEEO-JQWIXIFHSA-N 288.218 3.971 30 20 CHED CC#CCCCC(=O)Nc1ccc(C(F)(F)F)c(OC)c1 426925629 URMWHLGZCHFUAF-UHFFFAOYSA-N 299.292 3.846 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(OC)ccc1O)c1ccccc1 427641331 GIHYZMIBASHEPV-OAHLLOKOSA-N 297.354 3.699 30 20 CHED Cc1cccc2c1CN(Cc1ccc(C#N)c(F)c1)CC2 429564986 QPBAJQZEACYBHB-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H](c2ccccc2)C1 431946587 QYWUEFCTTHAQCQ-ZBFHGGJFSA-N 272.392 3.540 30 20 CHED CC(C)(C)OC1CC(CCNCc2cc(C#N)cs2)C1 432250594 LACXDNBRXJVJMM-UHFFFAOYSA-N 292.448 3.693 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)Cc1ccc(Cl)cc1 435735653 OXNBLUTYAUWULG-UNEWFSDZSA-N 293.838 3.842 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)cs1 437138638 XVQHNCPZCPTDJR-STQMWFEESA-N 290.432 3.954 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(OCCC)cc1 439441003 PHHDBHWXAYXNHC-ZDUSSCGKSA-N 276.380 3.952 30 20 CHED CC(C)(CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1Cl 442776654 HPUJXWYXQZMDLZ-OLZOCXBDSA-N 276.811 3.899 30 20 CHED C=CCC1(C(=O)Nc2cccc(CO)c2)CCCCC1 448580532 ZAZLFRMOUGMMOI-UHFFFAOYSA-N 273.376 3.644 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cccc(OC/C=C\C)c1 448685047 SHKZYNFMUSYXAI-ALCCZGGFSA-N 287.403 3.609 30 20 CHED C=CCC1(C(=O)Nc2cccc(OC)c2)CCCC1 449039597 CEJXMGUXCPHUTD-UHFFFAOYSA-N 259.349 3.770 30 20 CHED CCCN(CCC)CCCNC1CCC(C)(C#N)CC1 449060235 RZDMIRZVZZOFSD-UHFFFAOYSA-N 279.472 3.561 30 20 CHED CCCn1ncc(NCc2cccc(C#N)c2)c1C1CC1 449416558 UIWWZEDKFFUDCC-UHFFFAOYSA-N 280.375 3.654 30 20 CHED CC/C=C\CNCc1cn(CCC#N)nc1-c1ccccc1 449459940 QYKIWRHFBORMJB-CLTKARDFSA-N 294.402 3.520 30 20 CHED C=CCC1(C(=O)N2CCC(c3ccncc3)CC2)CCCC1 451187423 DOIGKSNYSJTLFB-UHFFFAOYSA-N 298.430 3.924 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 451377476 NUHPHSVZKDSDER-KBXCAEBGSA-N 288.435 3.745 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)c1cccc(C#N)c1C 452540802 JYNJSAAGQQBTFP-CYBMUJFWSA-N 270.376 3.731 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 452540899 KKGNXFFPOVLTCC-PBHICJAKSA-N 274.408 3.712 30 20 CHED C=C(C)CCNC(=O)CCCOc1ccc(C)c(C)c1 452715909 FRVGYIWQULHYIC-UHFFFAOYSA-N 275.392 3.545 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCSc2ccc(Cl)cc21 453355295 LDGVDUQRNFDCDS-MCIONIFRSA-N 295.835 3.810 30 20 CHED C=C(C)CCNC(=O)NCc1c(C)oc2ccccc12 454813997 VPHBVQMLMJCBNQ-UHFFFAOYSA-N 272.348 3.507 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@H]1CCCCC1(F)F 454992399 DXFVVOGDZCRHJL-GFCCVEGCSA-N 288.382 3.713 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)c1ccc(F)c(C#N)c1 456045918 BMXVRULPGBXSFD-GFCCVEGCSA-N 274.339 3.562 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 456829994 PWICTWWONNUXIN-RFQIPJPRSA-N 273.376 3.589 30 20 CHED C=C(C)CCNC(=O)Cc1ccccc1OC1CCCC1 457836615 MVNGRMREEFWDMI-UHFFFAOYSA-N 287.403 3.633 30 20 CHED C=CCCC1(C(=O)N2CC(CC)(c3ccccc3)C2)CC1 458209069 CZCMUKFVFLRKSL-UHFFFAOYSA-N 283.415 3.923 30 20 CHED CC(C)C1CCC(N(C)C(=O)NCC(C)(C)CC#N)CC1 459212061 AHFMZRBGWZSTOX-UHFFFAOYSA-N 293.455 3.782 30 20 CHED C=C(C)C[C@H](C)C(=O)N(C)c1nc2ccccc2s1 464525595 HHFXSQPHQFFCIA-NSHDSACASA-N 274.389 3.861 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(Br)c1C 466580966 HPMYTOCTHBOOKS-UHFFFAOYSA-N 297.196 3.797 30 20 CHED C=C(C)[C@@H](CC(=O)NCc1cc(Cl)ccc1C)OCC 467006826 XLBYYNOWUUWTLP-OAHLLOKOSA-N 295.810 3.636 30 20 CHED C=C[C@@H](C)N[C@H](C)Cc1cccc(C(F)(F)F)c1 467356845 VCZAWUUVKZDHMG-GHMZBOCLSA-N 257.299 3.801 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1cc(F)cc(F)c1 467447477 IDIRVCIGLSUTJH-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C=CCCCCNC(=O)[C@H](CC)c1ccc(F)cc1 471674991 ZBNTXWCWRQBYCQ-OAHLLOKOSA-N 263.356 3.792 30 20 CHED C[C@H](N[C@@H]1CCC12CCCC2)c1ccc(C#N)cc1 474061079 SRUBWYLMFACKAR-XJKSGUPXSA-N 254.377 3.932 30 20 CHED CCN(C[C@H](C)C#N)C[C@@H](c1ccccc1)C(C)C 474146986 ZQYBBRNIDIXRKS-NVXWUHKLSA-N 258.409 3.908 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1 488882007 PHVSUIGUDTZHNX-ZDUSSCGKSA-N 267.731 3.660 30 20 CHED C=CCn1cccc1C(=O)N(CC1CC1)c1ccccc1 490015904 JLRPLEMDYJZHOE-UHFFFAOYSA-N 280.371 3.731 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](c1ccncc1)C(C)C 503946693 RKTGWFMUTTZLGU-HOCLYGCPSA-N 274.408 3.682 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC)cc1OC(F)F 505858967 NHHVLTVRTHTLBU-UHFFFAOYSA-N 285.334 3.695 30 20 CHED CCc1cccnc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 507517211 XYGVAXAWNOFYFY-KBPBESRZSA-N 279.387 3.927 30 20 CHED N#Cc1csc(CN2CCc3c(Cl)cccc32)c1 507717283 WJRJFKOZOGWQSV-UHFFFAOYSA-N 274.776 3.836 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC[C@H]2CCCF)CC1 510728456 AOLRRZZUNCLNEC-RDJZCZTQSA-N 282.447 3.535 30 20 CHED Cc1cccc(C)c1OC[C@H](C)NCc1ccc(C#N)cc1 517549381 MYNCHQHECYXVMX-INIZCTEOSA-N 294.398 3.732 30 20 CHED C=CCOCC(=O)N[C@@H](c1cccs1)C(CC)CC 519108636 RYWRSOAYFVJEEM-OAHLLOKOSA-N 281.421 3.544 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)cc1)C(C)(C)C 520640327 RSFKCTHQHWQBFA-ZDUSSCGKSA-N 259.353 3.504 30 20 CHED CCc1ccc([C@H]2CCN(C(=O)C(C#N)(CC)CC)C2)cc1 529420878 FZAIOOAOSSKGFP-KRWDZBQOSA-N 298.430 3.895 30 20 CHED CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCC(C)(C)C1 530319969 WVVKSIYBWHIEFN-ZDUSSCGKSA-N 290.794 3.862 30 20 CHED C[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CC1 530872265 SVVLNRJELFICTL-ZJUUUORDSA-N 288.416 3.729 30 20 CHED N#CCCN(CCCOc1ccc(Cl)cc1)CC1CC1 531381880 VOCVWLICIFFFIF-UHFFFAOYSA-N 292.810 3.735 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1cc(C)cc(C)c1)OCC 533707316 BORAUKWFTKTJPF-DOTOQJQBSA-N 289.419 3.852 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC(C)C)CC(C)(C)C)OCC 535908495 XDAPEWUKNKCOEK-OAHLLOKOSA-N 283.456 3.888 30 20 CHED C=CCCC[C@H](C)NC(=O)c1coc(-c2ccccc2)n1 537224872 LTJRXVSURGXPSA-ZDUSSCGKSA-N 284.359 3.816 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(C2CCC2)c1 537315163 HKSPJIWVEYDXMW-UHFFFAOYSA-N 257.377 3.992 30 20 CHED C=CCC[C@@H](NCCOc1cccc(F)c1)C1CC1 539090099 HQDCBDRPOKEVEH-MRXNPFEDSA-N 263.356 3.539 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC)c1ccc(Cl)s1 540393138 FCVHRGBSNIKWGN-QWRGUYRKSA-N 273.829 3.627 30 20 CHED N#Cc1cccc(OCCN[C@H](c2cccs2)C2CC2)c1 540466267 AYVQCFQXQLRBMF-KRWDZBQOSA-N 298.411 3.739 30 20 CHED COc1ccnc2c(NCc3ccc(C#N)s3)cccc12 540664216 XCNAFWFDSWOCGK-UHFFFAOYSA-N 295.367 3.789 30 20 CHED C=CCOc1cccc(CNCC[C@@H]2CCO[C@H](C)C2)c1 544167074 ZQMZEFXXGVJRCZ-HZPDHXFCSA-N 289.419 3.546 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N(C1CC1)C1(C#N)CCC1 551655692 XHBVAVUUNWGAMY-MRXNPFEDSA-N 296.414 3.693 30 20 CHED Cc1cc(=N[C@H](C)c2ccccc2OC(C)C)cc(C#N)[nH]1 553295647 KZNHVUHESYJHJY-CQSZACIVSA-N 295.386 3.644 30 20 CHED C=CCC[C@@H](CCC)NCc1noc2c1CCCC2 561985610 GWGKAYHIBNALCN-CYBMUJFWSA-N 262.397 3.778 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)ccc1Cl 562511243 CIPSOVFQFPGZHB-OUJBWJOFSA-N 274.751 3.586 30 20 CHED C=CCn1c(N2CC[C@@H](C)C[C@H](C)C2)nnc1C(C)(C)C 566037991 YLTBOGTWFPZNCV-KGLIPLIRSA-N 290.455 3.634 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1scc(C)c1C#N 569705657 CCADDZIHERPORW-LLVKDONJSA-N 275.377 3.501 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@H](c2ccncc2)C1 572464377 UTHXRYKMUMUTKQ-KDOFPFPSSA-N 277.371 3.504 30 20 CHED C=CCOCCN1C[C@@H](C)CC[C@H]1c1ccccc1OC 573985243 OMSFOPXDRGMWBE-RDJZCZTQSA-N 289.419 3.671 30 20 CHED CC[C@@H](CN(CC)C(=O)NCC1(C#N)CC1)c1ccccc1 574705472 IWPZBEAWZXGZRJ-HNNXBMFYSA-N 299.418 3.515 30 20 CHED C[C@H](C1CCCCC1)N(C)Cc1ccc(C#N)cc1 575763878 BBYCQVLPWUTHKV-CQSZACIVSA-N 256.393 3.959 30 20 CHED Cc1ccc(CCN[C@@H]2CCc3ccc(C#N)cc32)cc1 576673403 NMSAYPDNHJZRGV-LJQANCHMSA-N 276.383 3.686 30 20 CHED Cc1ccccc1CNC(=O)Nc1scc(C)c1C#N 579549978 VXSOACIIFDTRFP-UHFFFAOYSA-N 285.372 3.558 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3cccnc3)C2)CCCC1 579595931 LVEGSGGZZRNUGI-MRXNPFEDSA-N 284.403 3.534 30 20 CHED C=CCCCCCN(CC)C1CCC(C(=O)O)CC1 580844861 RBZBHFQJPWJVEH-UHFFFAOYSA-N 267.413 3.698 30 20 CHED COc1ccc(-c2ccccc2C)cc1CNC[C@@H](C)C#N 581711975 ITFKTFKFPGVODH-AWEZNQCLSA-N 294.398 3.920 30 20 CHED C=C(C)CCc1noc(Cc2ccc(Cl)c(F)c2)n1 582718430 LFZUVPGZYQNZMQ-UHFFFAOYSA-N 280.730 3.962 30 20 CHED C=CCCC1(c2nc(-c3ccc(COC)cc3)no2)CC1 582989815 IUYHWSRMYLYLNH-UHFFFAOYSA-N 284.359 3.881 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 588367225 XYHZJRQFPOPMAQ-UHFFFAOYSA-N 297.373 3.891 30 20 CHED CCn1cc(C(=O)/C=C\c2sccc2Cl)cn1 588601323 IXOXHPGQJDRTJA-ARJAWSKDSA-N 266.753 3.514 30 20 CHED C=C(CNc1ccsc1[N+](=O)[O-])c1ccccc1 588840814 NKKQMKSLVMTQNP-UHFFFAOYSA-N 260.318 3.782 30 20 CHED C[C@H]1CCC[C@H](c2noc(CCCCCC#N)n2)C1 589102657 CUEVRDKVVRDKCP-STQMWFEESA-N 261.369 3.990 30 20 CHED C=CCN(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 590448010 YTIPLNXKHNDZOO-GOSISDBHSA-N 272.436 3.549 30 20 CHED N#Cc1nc(Oc2ccc3c(c2)CCC3)sc1Cl 590569071 DITBINPDMLPAOW-UHFFFAOYSA-N 276.748 3.949 30 20 CHED Cc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1F 590653774 SACJGBXVUGOVIS-QGZVFWFLSA-N 280.346 3.783 30 20 CHED Cc1ccccc1C1(NCc2cccc(C#N)c2)CC1 592138274 XMGCKWWOWCJJLB-UHFFFAOYSA-N 262.356 3.646 30 20 CHED CN(C)Cc1cccc(-c2ccccc2C2(C#N)CC2)c1 592985745 CADZTTPZZWCUMU-UHFFFAOYSA-N 276.383 3.970 30 20 CHED CS[C@@H]1CCCC[C@H]1Nc1ncc2c(c1C#N)CCC2 593485645 VXNAJIVHGLVLRR-HUUCEWRRSA-N 287.432 3.528 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 593520111 JSGIWXGHCVXPIC-QMTHXVAHSA-N 294.345 3.718 30 20 CHED CC(C)[C@H](C)N(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CC1 593960566 GSDHYVCNKJHSNT-GJZGRUSLSA-N 298.430 3.772 30 20 CHED CCN(CC(C)(C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 594035415 LVJCHTPTMRLSIO-AWEZNQCLSA-N 286.419 3.631 30 20 CHED CC(C)(CNCCc1ccc(C#N)cc1)c1ccccc1 594955459 OVMUYBQVHCONSM-UHFFFAOYSA-N 278.399 3.668 30 20 CHED Cc1ccccc1[C@H]1CN([C@@H](C#N)c2ccccc2)CCO1 595325609 KHHDZVNBPVJZNS-RBUKOAKNSA-N 292.382 3.633 30 20 CHED CC(C)c1ccc2c(c1)CN(C[C@@H](C#N)CCC#N)CC2 595657795 OMNOOIGVQNOQKT-OAHLLOKOSA-N 281.403 3.612 30 20 CHED N#Cc1cc(-c2ccsc2)cc(N2CCCC2)c1 596626465 HXDSSOZYBAPVAF-UHFFFAOYSA-N 254.358 3.887 30 20 CHED C=CCCSCCNC(=O)Nc1ccc2c(c1)CCC2 596639945 VPJCVKDMHWVGTQ-UHFFFAOYSA-N 290.432 3.606 30 20 CHED N#CCCCCNC(=O)c1cc2cc(Cl)ccc2s1 597150921 ZJRAUTYRDPKMOV-UHFFFAOYSA-N 292.791 3.978 30 20 CHED CC(C)(C#N)CNC(=O)C1CC(C)(C)CC(C)(C)C1 597490078 RSDHYBZGNUDFOS-UHFFFAOYSA-N 264.413 3.505 30 20 CHED COc1cc(NC[C@@H](C)CCC#N)c(Cl)c(OC)c1 602695857 NSXPSOUTEOHFGX-JTQLQIEISA-N 282.771 3.709 30 20 CHED N#CCC1(CN2CCC(c3ccccc3F)CC2)CC1 602779497 HNUJAAJQQJOWEQ-UHFFFAOYSA-N 272.367 3.699 30 20 CHED Cc1cc(C)c(C#N)c(NCC2(c3ccc(F)cc3)CC2)n1 603863861 OSBGKJCNKRXPAA-UHFFFAOYSA-N 295.361 3.853 30 20 CHED C=CCCCCCN(C)C(=O)c1ccccc1OCC 606815620 QOHCJKRAFZLYHM-UHFFFAOYSA-N 275.392 3.904 30 20 CHED Cc1ccc(F)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 610317245 HMTBSWPUXWSDKU-GFCCVEGCSA-N 297.333 3.889 30 20 CHED COc1ccc2oc(CN3CCC[C@](C)(C#N)C3)cc2c1 612406450 MMEXDXWCMLXHQC-QGZVFWFLSA-N 284.359 3.567 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1nc(C(C)C)c(C)s1 617247495 HOEIAMQIVLHKQH-OAHLLOKOSA-N 296.436 3.742 30 20 CHED CCc1csc(N[C@H]2CCc3cc(C#N)ccc32)n1 618694562 SKKFHRDPIWJWPO-AWEZNQCLSA-N 269.373 3.677 30 20 CHED CC(C)n1cc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cn1 618806247 PBGQWOKSNUJWAS-FZKQIMNGSA-N 294.402 3.674 30 20 CHED C=CCC1(NC(=O)CCc2cc(F)ccc2F)CCCC1 619104747 VAJOOQTYEWMVKX-UHFFFAOYSA-N 293.357 3.903 30 20 CHED C=CCC1(NC(=O)c2cc(C)n(CC)c2C)CCCC1 619113792 HGVKTMAQUBFMKK-UHFFFAOYSA-N 274.408 3.744 30 20 CHED CCCOc1ccc(OCCNc2ccc(C#N)cc2)cc1 619539324 NAGLJCSDHWDIGM-UHFFFAOYSA-N 296.370 3.838 30 20 CHED COCC[C@H]1CCC[C@H]1NCc1ccc(C#N)c(Cl)c1 619754552 CVXRAXNRMKNNKI-CZUORRHYSA-N 292.810 3.506 30 20 CHED C=CCN(C(=O)c1ccc(SCC)nc1)C(C)(C)C 622944358 OQUPVDRKGZDXAZ-UHFFFAOYSA-N 278.421 3.620 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Cc1ccccc1C 626851003 LHHXHPLEHMDFBO-GDBMZVCRSA-N 259.393 3.645 30 20 CHED C=C(CNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)c1ccccc1 627285158 UQLXPDQOBFVMHI-ZVZYQTTQSA-N 269.388 3.642 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2C)C1 628062282 BCEVTTZITNODKL-IRXDYDNUSA-N 285.431 3.988 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnc(C2CC2)o1 628140570 OYKKHPJBJZKZLC-UHFFFAOYSA-N 268.360 3.740 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc2occc2c1 628959489 CASVJGKVKHGDLI-MRXNPFEDSA-N 273.332 3.600 30 20 CHED C=CCC1(NC(=O)N[C@H](C2CC2)C(F)(F)F)CCCC1 667103306 ZGMSKLNKRATRBN-LLVKDONJSA-N 290.329 3.515 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc(C)ccn1 671724641 SVDAVRJIULRMEY-UHFFFAOYSA-N 298.434 3.746 30 20 CHED C=C[C@@H](CC(=O)N1CCC(F)(F)CC1)c1ccccc1 684519236 DZDXMJXKBARRKK-ZDUSSCGKSA-N 279.330 3.604 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(C(=O)O)c(C)n1 692273304 RPHLOCPIGOUAFD-OCCSQVGLSA-N 274.364 3.635 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1C#N 714401292 UBFAWAAMFFLDDA-MFKMUULPSA-N 276.767 3.976 30 20 CHED CCCCCCCCCOC(=O)c1ccc2nncn2c1 725931635 HUWWZSHPOGWISI-UHFFFAOYSA-N 289.379 3.637 30 20 CHED Fc1cccc2c1SCCC2=NNC1CCCC1 727652724 WNCCZYDNFVZCTI-UHFFFAOYSA-N 264.369 3.558 30 20 CHED Cc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)c(C)c1 727973206 UPRSXWQZVFQNHO-UHFFFAOYSA-N 283.331 3.966 30 20 CHED C#Cc1cccc(N(C(=O)CCC(C)C)C(C)C)c1 728248076 ZHSRZMOHRIGAAB-UHFFFAOYSA-N 257.377 3.846 30 20 CHED C=C(C)COC(=O)c1ccc(Oc2ccccc2)c(N)c1 728635765 RJRBWYCBIFXPBX-UHFFFAOYSA-N 283.327 3.794 30 20 CHED O=C1/C(=C\c2cccnc2Cl)Cc2c(F)cccc21 728697194 KCUFWEPRNOUJOS-YFHOEESVSA-N 273.694 3.697 30 20 CHED C#Cc1cccc(N(CC)Cc2cc(-c3ccco3)on2)c1 728926332 KTJSOMNMKIJMAM-UHFFFAOYSA-N 292.338 3.942 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)CC2 730146973 IYGCHKQNVBNJRL-PMFHANACSA-N 296.326 3.715 30 20 CHED CC1(C)CCC(C)(C)c2cc(C(=O)OCC#N)ccc21 732580831 GTBMANRQKHWNTP-UHFFFAOYSA-N 271.360 3.716 30 20 CHED CC(=NNc1nc(-c2ccccc2)no1)C1CCCC1 733076723 WHQGEJFUCALYMG-UHFFFAOYSA-N 270.336 3.715 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCc2cc(F)ccc21 734296206 OLFHHJWIVJXJCL-UHFFFAOYSA-N 299.305 3.805 30 20 CHED C=CCCCOC(=O)CCc1ccccc1Br 735530366 IHZYXKLSRXSGGV-UHFFFAOYSA-N 297.192 3.891 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1OC1CCCC1 736966369 DAYVMOOYTFTZIY-UHFFFAOYSA-N 294.782 3.882 30 20 CHED COCCCCCON=Cc1ccc(Cl)cc1 742350462 BXKQXYWIXWSDPS-UHFFFAOYSA-N 255.745 3.507 30 20 CHED C=Cc1cc(OC)c(OCc2ccc(C#N)cc2)c(OC)c1 742461845 FXWIHGJVJVIVHI-UHFFFAOYSA-N 295.338 3.797 30 20 CHED Cc1ccoc1C=NNC(=S)Nc1cccc(C)c1C 743422579 BAHXMFAKNMEJNO-UHFFFAOYSA-N 287.388 3.525 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ccccc1S(C)(=O)=O 748250234 ACJIQOJRSPWAGP-GFCCVEGCSA-N 296.436 3.704 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C1CCCC1 750682375 XKRMENITWYWBHI-AAEUAGOBSA-N 281.359 3.565 30 20 CHED O=C1/C(=C/c2ccccc2F)Cc2c(F)cc(F)cc21 751534740 DBSZBYYZDSJQEN-BJMVGYQFSA-N 274.241 3.926 30 20 CHED CS/C=C\C(=O)Nc1ccccc1SC[C@H](C)C#N 751576702 CMQCPPGXQGFUNR-SKVAFPRGSA-N 292.429 3.754 30 20 CHED C#Cc1ccc(C(=O)N(C)c2ccc(CCCC)cc2)nc1 752374947 XWXYXTAEHOGFFX-UHFFFAOYSA-N 292.382 3.682 30 20 CHED C#CCCCOC(=O)[C@H](C)c1ccc2ccccc2c1 753399595 GPWSKJKTKFXUHV-CQSZACIVSA-N 266.340 3.900 30 20 CHED Cc1ccc(C=NNc2cc(C(F)(F)F)ccc2F)nc1 753946624 IXEWAYQREGSJKC-UHFFFAOYSA-N 297.255 3.994 30 20 CHED Oc1ccc(C=NNc2nccc3sccc23)cc1F 755650697 MUQINECKHOFOGO-UHFFFAOYSA-N 287.319 3.587 30 20 CHED CC(C)c1ccc([C@H](C)NN=CC2CCOCC2)cc1 755661940 OIPJTTFUFWWYBQ-AWEZNQCLSA-N 274.408 3.873 30 20 CHED C[C@@H](NN=Cc1c(O)cccc1Cl)c1ccccc1 755664229 JIKBGHSNFUVTNJ-LLVKDONJSA-N 274.751 3.730 30 20 CHED C=C[C@@H](C)NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 757004914 ULEXCRGJMOFDNY-DWOQACPDSA-N 283.293 3.799 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(F)c2F)c(O)c1 757472771 SMYYNUMMECLFKG-VMPITWQZSA-N 290.265 3.575 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)c1cccc(C)c1)c1ccccc1 757599493 MWWOJCZSSJKRIU-APWZRJJASA-N 291.394 3.979 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)c1cccc(C)c1)c1ccccc1 757599495 MWWOJCZSSJKRIU-LPHOPBHVSA-N 291.394 3.979 30 20 CHED N#Cc1cc(COC(=O)c2ccc3cc[nH]c3c2)ccc1F 758933417 RHBWDSTZRCADLG-UHFFFAOYSA-N 294.285 3.536 30 20 CHED N#Cc1ccc(NN=C2CSCCc3ccccc32)cc1 759200872 CFIFDHIYBVUFCW-UHFFFAOYSA-N 293.395 3.664 30 20 CHED Cc1ccc(C2CC(=NNc3ncccc3[N+](=O)[O-])C2)cc1 759204039 YVKZPFGDPKPOSP-UHFFFAOYSA-N 296.330 3.644 30 20 CHED Cc1cccc(-c2noc(Cc3ccccc3CC#N)n2)c1 761397378 KWKODQAFIXCJBW-UHFFFAOYSA-N 289.338 3.702 30 20 CHED C#CCN(CC)C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 764212230 VZYZKQZPSOWXIG-CQSZACIVSA-N 297.320 3.681 30 20 CHED CCCCCCCS(=O)(=O)c1ccc(F)cc1F 764513513 LHENJARXPXAKIV-UHFFFAOYSA-N 276.348 3.709 30 20 CHED CCCC1(C(=O)O[C@@H](C)c2cccc(C#N)c2)CC1 764611466 BVFPLKNGQQATGV-LBPRGKRZSA-N 257.333 3.743 30 20 CHED CC(CSC(C)(C)C)=NNCCc1ccccc1F 764721792 JKYXHUZOVZDBJI-UHFFFAOYSA-N 282.428 3.865 30 20 CHED CC1(C)CCC(=NNCCc2ccccc2F)CC1 764724866 YFJOSWAXIAAXJL-UHFFFAOYSA-N 262.372 3.914 30 20 CHED C=C[C@@H](CC(=O)N(OC)[C@H](C)CC)c1ccccc1 764824782 GNWGCBMWBOSENU-KGLIPLIRSA-N 261.365 3.535 30 20 CHED CCCCC[C@@H](C(=O)N[C@H](C#N)CC(C)C)C(C)C 768145159 XUBNLGODHGGDHF-LSDHHAIUSA-N 266.429 3.893 30 20 CHED CCn1ccnc1SCc1ccccc1C(C)(C)C#N 768290709 YGOHLKDMYHBXTK-UHFFFAOYSA-N 285.416 3.996 30 20 CHED CC[C@H](C)OC(=O)c1cn(CCCC#N)c2ccccc12 769543855 JWNJHSDJVYMPJY-ZDUSSCGKSA-N 284.359 3.900 30 20 CHED FC(F)(F)CNN=Cc1cc(-c2ccccc2)cs1 769807858 BIHUJCDCDIQHEP-UHFFFAOYSA-N 284.306 3.901 30 20 CHED CC(C)(C)c1ccc(C=NOC[C@H]2CCCOC2)cc1 769876897 HQNLAFZCULFPID-HNNXBMFYSA-N 275.392 3.761 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)/C=C\c1ccccc1C#N 772907142 BGVDGSVRZLISJA-LLNWESEBSA-N 296.414 3.999 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1cncc(Cl)n1 773190011 LYVDMQIERWWPMR-WDEREUQCSA-N 264.760 3.520 30 20 CHED C=C(CC)COC(=O)C[C@H](C)c1ccccc1OC 773518616 XEMDVTDZRSRGHS-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CCC)c2ccccn2)c1 773746954 CJZNTXHGBPXBQH-MRXNPFEDSA-N 278.355 3.585 30 20 CHED CS[C@H](C)CCC(=O)OCC#Cc1ccc(Cl)cc1 773785807 OMRYTROJSIBHST-GFCCVEGCSA-N 296.819 3.766 30 20 CHED CCC(CC)CNN=Cc1coc(-c2ccccc2)n1 774463974 SEKSYZKVEKRRBJ-UHFFFAOYSA-N 271.364 3.701 30 20 CHED CC(=NOC1CCCC1)c1cnn(Cc2ccccc2)c1 774606775 GPPXVFWVOSPCTE-UHFFFAOYSA-N 283.375 3.615 30 20 CHED C#CCOc1ccccc1NCc1cc(C)oc1C 775361390 ISVZXOLIFWCYDB-UHFFFAOYSA-N 255.317 3.521 30 20 CHED C#C[C@@H](C)NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 775387943 JWRQZFWXFFMZJM-GFCCVEGCSA-N 299.320 3.692 30 20 CHED CCc1ccccc1C(=O)OCc1ccc(CC#N)cc1 776114365 OJVLFJCZTXKQSB-UHFFFAOYSA-N 279.339 3.672 30 20 CHED CCCCS[C@H](C)C(=O)OCc1ccc(CC#N)cc1 776114754 QHZYWFXWZGAXNK-CYBMUJFWSA-N 291.416 3.718 30 20 CHED Cc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1N(C)C 776165037 NMRPMTWZLAPWTQ-OAHLLOKOSA-N 293.414 3.784 30 20 CHED C[C@@H](OC1CCCCCC1)C(=O)OCCC(C)(C)C#N 776397021 LGBHVRFHWQYAGH-CYBMUJFWSA-N 281.396 3.597 30 20 CHED C[C@H]1CC[C@@H](C(=O)OCc2ccccc2C(C)(C)C#N)C1 776429716 WOVGZCPNFLDYRL-UONOGXRCSA-N 285.387 3.967 30 20 CHED Clc1ccnc(NN=Cc2ccc3ccccc3n2)c1 777905854 AUGUTXPDQIFKSB-UHFFFAOYSA-N 282.734 3.729 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N(CCC#N)CC(C)C)cc1 778661849 MATNDTQLWRSTRX-MRXNPFEDSA-N 286.419 3.572 30 20 CHED CCCCCC1=C(C)CCC1=NN=c1cc[nH]cc1 779808839 IEUCHPGKDQIXEJ-UHFFFAOYSA-N 257.381 3.962 30 20 CHED CCC[C@@H]1C[C@@H](C(=O)O[C@@H](C#N)C2CCCCC2)CCO1 780165265 RIDPQMQASBYKGY-XHSDSOJGSA-N 293.407 3.597 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ncncc1Cl 780275118 KGWNFWTVTZDBHV-SECBINFHSA-N 254.765 3.744 30 20 CHED CC(C)[C@@H]1CCCCC1=NNc1ncncc1Cl 780280358 WQVHUQJSDCVFMY-JTQLQIEISA-N 266.776 3.744 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1F)c1ccc(O)cc1O 782206695 JKWDQFMNRICCSD-KXFIGUGUSA-N 292.693 3.786 30 20 CHED C=CCCSCc1c(C(F)(F)F)nn(C)c1Cl 782246872 VCFSTLUKFCAMCB-UHFFFAOYSA-N 284.734 3.902 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccc2ncccc2c1 782444587 ZFFXLNDGSSUHFB-GOSISDBHSA-N 299.370 3.507 30 20 CHED Cc1cc(COc2ccc(Cl)cc2C=O)ccc1C#N 783111840 KTKFFHRQPRPQEY-UHFFFAOYSA-N 285.730 3.912 30 20 CHED COc1ccc(CNN=C[C@@H]2CCCC[C@H]2C)cc1 783832256 FBMLBSPNNGRJBS-HIFRSBDPSA-N 260.381 3.597 30 20 CHED C=CCOc1cccc(NC(=O)/C=C/c2cnccc2C)c1 783928523 FXHYIBHELPSQPX-BQYQJAHWSA-N 294.354 3.607 30 20 CHED C=CCOc1cccc(NC(=O)/C=C\c2cnccc2C)c1 783928524 FXHYIBHELPSQPX-FPLPWBNLSA-N 294.354 3.607 30 20 CHED C#CC(C)(C)N(C)Cc1nc2cc(C(F)(F)F)ccc2o1 788001155 ZWIIURMMZNEVBK-UHFFFAOYSA-N 296.292 3.690 30 20 CHED C#CCNC(=O)Nc1c(CCC)cccc1C(C)C 788311603 IKSUGLKYSLUSLR-UHFFFAOYSA-N 258.365 3.517 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(C)nc(Cl)c1 788709235 IQEFRYBRXQLPAC-UHFFFAOYSA-N 298.777 3.838 30 20 CHED Clc1sccc1C=NNc1nncc2ccccc12 790144164 IVOJAQSQSQHTAN-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CC(=NNc1ncccc1C)c1ccc(F)c(F)c1 790186724 QJOHHUOCWGHIDB-UHFFFAOYSA-N 261.275 3.504 30 20 CHED C[C@H](NN=C1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 790286809 GEBOTPIXOCFZFW-GOEBONIOSA-N 296.418 3.785 30 20 CHED O=[N+]([O-])c1ccc(CC=NNc2ccc(Cl)cc2)cc1 792868569 GYHULDYUPXRFSD-UHFFFAOYSA-N 289.722 3.889 30 20 CHED CC1(C)CCC(=NOC[C@H]2CCOC2)c2ccccc21 794859013 DRTFUACQBLMRPR-ZDUSSCGKSA-N 273.376 3.515 30 20 CHED N#Cc1ccc(NN=Cc2ccc3occc3c2)cc1 794895682 HVALZSMDHYAESY-UHFFFAOYSA-N 261.284 3.750 30 20 CHED Clc1ccn2c(C=NNC3CCCC3)c(Cl)nc2c1 794902533 PXEXPAKUNAUNIV-UHFFFAOYSA-N 297.189 3.507 30 20 CHED COC(=O)c1ccc(Cl)c(/C=C/C(=O)c2ccco2)c1 794940971 HCNVMUNQFKKMHR-FNORWQNLSA-N 290.702 3.616 30 20 CHED COc1cc(C=NOCCCCF)ccc1OC(C)C 795199824 OZRVVPNSCZGPFA-UHFFFAOYSA-N 283.343 3.583 30 20 CHED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1cccnc1 795982135 QLKCQQLYLVUPMY-HOCLYGCPSA-N 294.354 3.773 30 20 CHED Cc1cc(OC(=O)OC(C)(C)C)c(C)c(C)c1C#N 796194947 QLTHMWDWERLCCJ-UHFFFAOYSA-N 261.321 3.797 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCCC1CCCCC1 796833544 CHNTVVAWKVVVNI-HNNXBMFYSA-N 251.370 3.830 30 20 CHED C=CCN(C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C)C(C)C 797542076 LCVNVYKXAMLUIT-ILXRZTDVSA-N 266.429 3.665 30 20 CHED Cc1ccc(C(=O)NCc2ccc(Cl)s2)cc1C#N 799307334 LHQQNDUYJRACAB-UHFFFAOYSA-N 290.775 3.512 30 20 CHED Cc1ccc(C(=O)NCC[C@H](C)c2ccccc2)cc1C#N 799326958 JXSAKSJXWLUUEF-HNNXBMFYSA-N 292.382 3.790 30 20 CHED Cc1ccc(C(=O)N2CCCCc3sccc32)cc1C#N 799378885 UZDAISDYIAVHMH-UHFFFAOYSA-N 296.395 3.911 30 20 CHED CSc1ccccc1[C@@H](C)OC(=O)C(C)(C)C#N 800023322 CZTUKOWYQIRRRD-SNVBAGLBSA-N 263.362 3.562 30 20 CHED C[C@H](C=NNc1ccnc(Br)c1)C(C)(C)C 800815762 MTCABNFEJWVVGU-SECBINFHSA-N 284.201 3.924 30 20 CHED CC(=NNc1ccccc1C(=O)O)[C@@H]1C[C@H]1c1ccccc1 802708945 MHEYZXFTNDPJAO-HOTGVXAUSA-N 294.354 3.976 30 20 CHED C[C@@H](C#N)OCCOc1ccccc1Cc1ccccc1 802724548 CZTLYOCIXZIGFH-HNNXBMFYSA-N 281.355 3.585 30 20 CHED C=C(C)CCOC(=O)c1cc(F)c(Cl)nc1Cl 803336100 VXSUQDIYQSWMOS-UHFFFAOYSA-N 278.110 3.651 30 20 CHED C=CCCCCCCNC(=O)N1[C@H]2CCC[C@H]1CC2 806004271 VNCAUPRPZCUKTA-GJZGRUSLSA-N 264.413 3.849 30 20 CHED C#CCC1(OC(=O)c2ccc3ccc(Cl)cc3n2)CCC1 810745840 VCMWFMZLLOCLJM-UHFFFAOYSA-N 299.757 3.991 30 20 CHED C#Cc1ccccc1CC(=O)Nc1c(C)cccc1SC 813178240 ALZZIUZSKGXLTM-UHFFFAOYSA-N 295.407 3.879 30 20 CHED CC1(C)CC(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)C1 813217228 DPJJKNDHDULWBR-LLVKDONJSA-N 296.292 3.713 30 20 CHED Oc1cccc(C=NNc2c(F)cccc2F)c1Cl 814852557 FIZXTMHAJGRGAF-UHFFFAOYSA-N 282.677 3.770 30 20 CHED C=CCC(F)(F)C(=O)N(C)CCCCc1ccccc1 815049212 WLZVCVHFLZPOOQ-UHFFFAOYSA-N 281.346 3.679 30 20 CHED C=C(C)CCOC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 815404733 UXEBEEUMLUQKSQ-UHFFFAOYSA-N 283.711 3.680 30 20 CHED C#C[C@H](NC(=O)CC(C)(C)C1CC1)c1ccc(Cl)cc1 816779021 RVUUKVWOQQDODH-HNNXBMFYSA-N 289.806 3.957 30 20 CHED Fc1ccc(NN=C2CCc3cccnc3CC2)cc1 817321854 CXSHUFJOZOUQGO-UHFFFAOYSA-N 269.323 3.568 30 20 CHED C#C[C@@H](NC(=O)N1[C@@H](C)CC[C@H]1C)c1ccc(Cl)cc1 820566045 ZFZCBWJEDZHIMX-TYNCELHUSA-N 290.794 3.597 30 20 CHED C=CCCCCCCCNCc1ccncc1F 824407381 CYLPZUALLCUOMW-UHFFFAOYSA-N 250.361 3.837 30 20 CHED C=CCCCCC[C@H](C)NC1C[C@@H]2CC[C@H](C1)N2C 824988597 OQDXDRFJIAIOBF-XYTVBORESA-N 264.457 3.726 30 20 CHED COc1cc(C#N)cc(OC[C@]2(C)CC2(Cl)Cl)c1 829473565 BKHAADSMZKQSNK-LBPRGKRZSA-N 286.158 3.530 30 20 CHED C#Cc1cccc(NC(=O)N(C)CCC(C)(C)C)c1 831173499 UNVLYMRBTGODMD-UHFFFAOYSA-N 258.365 3.568 30 20 CHED C[C@H]1C/C(=C/c2ccc(C(=O)O)o2)C(=O)c2ccccc21 833585622 AOYVKXHFJYBWCV-RGAIUGGKSA-N 282.295 3.751 30 20 CHED C=CCC[C@@H](C)OC(=O)[C@H](CC)CC(F)(F)F 835269474 WLHNIRVVROUKRJ-NXEZZACHSA-N 252.276 3.863 30 20 CHED CC(C)(C)C#CC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 837566023 QWFISIWSYJVICT-DLBZAZTESA-N 283.415 3.564 30 20 CHED Cc1ccc(F)c(CC(=O)OCCCCC(C)(C)C#N)c1 838130213 LPDKEAAARYCVOQ-UHFFFAOYSA-N 291.366 3.940 30 20 CHED C[C@H](CC(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 839047259 DOZAKUUFFLTDPO-WWGRRREGSA-N 289.350 3.945 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2cc(-c3ccccc3)no2)C1 839048149 LMMAGOLSXOXRHM-OCCSQVGLSA-N 296.326 3.581 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2coc(-c3ccccc3)n2)C1 839054803 OOHSVEYHQDFQIM-TZMCWYRMSA-N 296.326 3.581 30 20 CHED CCN(CC)c1ccc(C=NOCc2ccccc2)c(O)c1 839418805 AHAWHFSUWLDEPB-UHFFFAOYSA-N 298.386 3.789 30 20 CHED CSC[C@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839434657 FHALPNGRQZIDET-NSHDSACASA-N 284.384 3.649 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)/C(C)=C/CC 839889967 CSHKROMTHNNTBX-IDJPSDCMSA-N 257.377 3.646 30 20 CHED N#CC1(CCOC(=O)c2cccs2)CCCCC1 840010090 FAZFVKCCRXYUCP-UHFFFAOYSA-N 263.362 3.769 30 20 CHED N#CCCSC[C@@H](O)c1ccc(Cl)cc1Cl 840213590 NZUMSBFJIMYZLH-LLVKDONJSA-N 276.188 3.674 30 20 CHED CCO[C@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 840710018 HLHHQIBMZVSCDG-QLYAKTQZSA-N 288.174 3.685 30 20 CHED C#C[C@H](OC(=O)c1csc(C2CCCCC2)n1)C1CC1 842327296 KDZBSIZYUJDZGI-AWEZNQCLSA-N 289.400 3.759 30 20 CHED C=CC[C@H](OC(=O)[C@@H](CC)OCC)c1ccccc1 842340032 QAOQUFPCKAJQRT-CABCVRRESA-N 262.349 3.662 30 20 CHED C#CCCCCCC=NNc1cccc(C(=O)O)c1C 844623087 KAQCOMZFJMLEGK-UHFFFAOYSA-N 272.348 3.675 30 20 CHED C=CC[C@H]1CCCC[C@H]1OC(=O)c1oc(C)nc1C 851145573 XINIUCDCDSCMND-QWHCGFSZSA-N 263.337 3.583 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C(C)(C)c1ccccc1 851211926 FLYBSHMPJFXXPA-ZDUSSCGKSA-N 273.376 3.836 30 20 CHED CC1(C)C(=NNc2nc(O)c3ccccc3n2)[C@H]2CCC[C@H]21 853319509 VOZYCYAKSXTRJI-CMPLNLGQSA-N 296.374 3.559 30 20 CHED C/C(=C/C(=O)N(CCC#N)CC(C)C)c1cccs1 857707920 FBAVTZZBMCPBHL-RAXLEYEMSA-N 276.405 3.550 30 20 CHED N#CC1(C(=O)O[C@H]2CCc3cc(Cl)ccc32)CCCC1 860976529 XKHQHRBXSYTXHM-AWEZNQCLSA-N 289.762 3.954 30 20 CHED C=C(C)C[C@H](NCc1cc2cccc(CC)c2o1)C(=O)O 864529261 GCQDUAXSWPDGAU-HNNXBMFYSA-N 287.359 3.504 30 20 CHED C=CCN(C(=O)c1cc2ccc(OC)cc2s1)C(C)C 865163297 HHTPVWZVHNLKBU-UHFFFAOYSA-N 289.400 3.947 30 20 CHED C#CCCCC(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 871144718 PSCMEHIWFMTEED-UHFFFAOYSA-N 293.370 3.696 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(Cl)c(F)c1F 875791026 TXICGKQGFZFRFM-UHFFFAOYSA-N 287.693 3.854 30 20 CHED CC(C)CCN(CCC#N)Cc1nc(Cl)cs1 876691126 BIRBELCUEMNXLE-UHFFFAOYSA-N 271.817 3.558 30 20 CHED CCC1CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 877976202 UCQRZOXLWCCWEL-LJQANCHMSA-N 298.430 3.549 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1ccc(N2CCCC2)cc1C 878009997 HGOPYTMOXHWAQC-SFHVURJKSA-N 299.418 3.519 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccccc1OC 878692405 YUWPIQMGPPINQH-OAHLLOKOSA-N 287.403 3.961 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2ccon2)cc1 886953614 HFXAZQUTBOURME-UHFFFAOYSA-N 270.332 3.882 30 20 CHED N#Cc1cnc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 896484165 AJYQFLFPZFQREM-SDDRHHMPSA-N 289.404 3.560 30 20 CHED C=C1CC(c2noc(-c3ccc(OC)cc3Cl)n2)C1 896882795 XXMVNVHPXVZTNX-UHFFFAOYSA-N 276.723 3.832 30 20 CHED CCn1cc(/C=C2/CCc3ccc(F)cc3C2=O)c(C)n1 899367141 WLLZIXGARBLAJM-JYRVWZFOSA-N 284.334 3.563 30 20 CHED C=C[C@H](CC)CC(=O)Nc1sc2c(c1C#N)CCC2 901264663 KDHRQLIYHXJGIJ-SNVBAGLBSA-N 274.389 3.649 30 20 CHED COC(=O)[C@H](CC(C)C)/N=C\c1c(O)ccc2ccccc12 911592136 AWOZGOCCKPGLND-YLRSXTQRSA-N 299.370 3.552 30 20 CHED N#CCCCCOC(=O)CCc1ccc(Cl)cc1 914624631 XTJOLICEJBCIQL-UHFFFAOYSA-N 265.740 3.510 30 20 CHED Cc1cc([C@@H](C)/N=C/c2cccc(O)c2O)c(C)s1 914701935 SFXDPLQAERAPCY-LYQMGENXSA-N 275.373 3.956 30 20 CHED CCCCCCCC(=O)NCCSC(F)(F)F 915710820 UOEPOPZVQANWFJ-UHFFFAOYSA-N 271.348 3.716 30 20 CHED Cc1ccc(/C=C2\COc3c(F)cc(F)cc3C2=O)s1 920066340 PFJIVIMROPFJQW-RUDMXATFSA-N 292.306 3.993 30 20 CHED CCOc1ccccc1C/N=C/c1cccc(OCC)c1O 920172880 LYSSVUYMDZXGGH-CPNJWEJPSA-N 299.370 3.809 30 20 CHED C[C@H](NN=Cc1ccccc1OC(F)F)c1ccccc1 920386394 ZEOWGJBMFZOCFB-LBPRGKRZSA-N 290.313 3.973 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](CN1CCCC1)c1ccccc1 924604215 LVXNFYDNMHGINP-WMZOPIPTSA-N 299.462 3.741 30 20 CHED C#CC[C@H](N[C@H](C)c1cc(OC)ccn1)c1ccccc1 925632756 AMUBTNMRRQIBEU-PBHICJAKSA-N 280.371 3.505 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC)c1cc(F)ccc1OC 925810075 VGBPRMIWSOMRDO-AWEZNQCLSA-N 294.370 3.503 30 20 CHED C=C(CC)CN[C@H](c1ccccn1)c1ccccc1OC 926548897 CGKPFQVXRSIVAN-SFHVURJKSA-N 282.387 3.735 30 20 CHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1ccccc1 929614011 KVIFRCBFQHDLMB-ZBFHGGJFSA-N 257.377 3.952 30 20 CHED C#CCN(C(=O)Nc1cc(-c2ncco2)ccc1C)C(C)C 930567266 LCLMOXSHUBXLTJ-UHFFFAOYSA-N 297.358 3.526 30 20 CHED CCSc1ccccc1CN1CCC[C@@H](CC#N)C1 930925362 YMEBKGIKHRDRKE-AWEZNQCLSA-N 274.433 3.924 30 20 CHED CCCCCCCC(=O)NN1[C@@H](C)CCC[C@@H]1C 935611816 ATLAEZPUYYXSRE-KBPBESRZSA-N 254.418 3.641 30 20 CHED CCCCCCCN1CCC[C@H](Cc2nccn2C)C1 1116400984 AUIHPCLNMAHQSJ-MRXNPFEDSA-N 277.456 3.645 30 20 CHED CC/C(C)=C(/C)c1nnc(-c2ccc(C#N)cc2)o1 1118415785 XERBWLLXRFXFAM-KHPPLWFESA-N 253.305 3.812 30 20 CHED C=C(C)CCC(=O)NC1(c2nc(C)cs2)CCCC1 1120604954 LSEGQOOHIPRKAU-UHFFFAOYSA-N 278.421 3.693 30 20 CHED C=C(CC)C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 1123811200 QSZFWXPPCGDSJF-ZDUSSCGKSA-N 277.339 3.510 30 20 CHED CCCC[C@H](CC)CNC(=O)c1cc(C#N)ccc1C 1124205507 PZUDJFOCVVXKHJ-AWEZNQCLSA-N 272.392 3.813 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 1132219622 NBSUCBZFWACBJO-SWLSCSKDSA-N 274.339 3.852 30 20 CHED N#Cc1cc(F)cc(NC(=O)Cc2cc3ccccc3o2)c1 1132445488 HAZMBGXAXQGDSG-UHFFFAOYSA-N 294.285 3.625 30 20 CHED Cc1ccc2sc(NCc3ccc(C#N)cn3)nc2c1C 1163437817 YOUFKZQHMSFUHH-UHFFFAOYSA-N 294.383 3.792 30 20 CHED CN(C[C@H]1CC1(C)C)c1nc(C(C)(C)C)ccc1C#N 1163800890 AEDMJGDRPXSDMB-CYBMUJFWSA-N 271.408 3.733 30 20 CHED Cc1cc(=NCC[C@@H]2C[C@@H](C)CC(C)(C)C2)c(C#N)c[nH]1 1186316400 SWMFZJLAMOIEOF-UKRRQHHQSA-N 285.435 3.948 30 20 CHED Cc1ccc(Cl)cc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1275465120 SEZVHPFKTSUFQM-DGCLKSJQSA-N 277.751 3.888 30 20 CHED C[C@@H](Nc1cncc(C#N)n1)c1cccc2ccccc12 1307228381 QJZKLGLQSLJNTB-GFCCVEGCSA-N 274.327 3.675 30 20 CHED CN(C)c1ccc(CCNc2c(Cl)cccc2C#N)cc1 1318723888 GCPPTDCIRLEFTM-UHFFFAOYSA-N 299.805 3.932 30 20 CHED C#CCCCCNC(=O)c1ccc(-c2ccccc2)s1 1319273888 SJIJLGKFXZLNNP-UHFFFAOYSA-N 283.396 3.948 30 20 CHED COc1cc(O)ccc1/C=C/C(=O)c1c(C)cc(C)cc1O 1321685121 LAHCLCYJHANDFB-FNORWQNLSA-N 298.338 3.619 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(OCC#N)cc1 1322006582 CQPOQJFRMJXRHY-KBPBESRZSA-N 286.375 3.744 30 20 CHED CCc1ccc(-c2n[nH]c(S[C@H](C)CCC#N)n2)cc1 1322228513 VXBBSPUKJFQHST-LLVKDONJSA-N 286.404 3.818 30 20 CHED Cc1ccccc1CCc1nnc(-c2cccc(C#N)c2)o1 1322342381 ARQRNXNRZZXTBF-UHFFFAOYSA-N 289.338 3.702 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](OC)[C@@H](C)C1 1324536940 QPPQQYPFRUJCKQ-LSDHHAIUSA-N 269.429 3.620 30 20 CHED C=CC[C@@H]1N(C(=O)c2cnc(C(C)C)[nH]2)CCCC1(C)C 1324673145 SNJSMAOBGXWNPQ-AWEZNQCLSA-N 289.423 3.740 30 20 CHED C[C@H]1CCc2nc(C=NOCc3ccccc3)sc2C1 1330310539 KXUDKCLRRROSSW-LBPRGKRZSA-N 286.400 3.819 30 20 CHED N#CCC1(CN2CCC(c3nc4ccccc4o3)CC2)CC1 1330657423 MPZXFIIVGCOLRJ-UHFFFAOYSA-N 295.386 3.701 30 20 CHED C#CCN(CC1CC1)C(=O)/C(C)=C\c1ccccc1Cl 1335774509 NHWKYBKJJZDWCS-QBFSEMIESA-N 287.790 3.615 30 20 CHED Cc1cc(C)cc(N(C)c2nnc([C@H](C)CCC#N)n2C)c1 1340075534 ZLCWSQTWSJWNIA-CQSZACIVSA-N 297.406 3.607 30 20 CHED C=CCn1c(C(F)F)nnc1N1CCC(CC(C)C)CC1 1340686339 AVJJYUZWENPCEW-UHFFFAOYSA-N 298.381 3.664 30 20 CHED N#CC[C@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccco1 1345982454 RISFMRMZEHRHRV-XPCVCDNBSA-N 273.332 3.604 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccc(Br)cc1 1346233303 BYZNFUACSPXURQ-JTQLQIEISA-N 282.181 3.593 30 20 CHED CC(C)(C)C#CC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 1348037164 BRYQWGRVMKTYSH-XLIONFOSSA-N 295.426 3.964 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1ccc(F)c(C#N)c1 1360860089 DUQNLIZSTTZUMB-JRPNMDOOSA-N 275.323 3.679 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F 1435411805 COYFKRZIXLSINK-OCCSQVGLSA-N 275.323 3.567 30 20 CHED N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3)co2)s1 1459965345 LUGRKNWTPMEWSB-UHFFFAOYSA-N 295.323 3.527 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)c1csc(C#N)c1 1466922902 ILGQJWNOWWQYJQ-UHFFFAOYSA-N 281.340 3.662 30 20 CHED C#Cc1ccc(COC(=O)C2(c3ccccc3F)CC2)cc1 1518290448 OWSFJBJZZYRMDG-UHFFFAOYSA-N 294.325 3.582 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2F)c(C)s1 1528456490 MTIBNOSZTXNWSN-UHFFFAOYSA-N 274.320 3.628 30 20 CHED C=C[C@H](C(=O)NC[C@H]1CCC2(CCCC2)O1)c1ccccc1 1528592486 IFJQNSJOSXZKGJ-SJORKVTESA-N 299.414 3.564 30 20 CHED Cc1c(Cl)cnc(N[C@H]2C[C@@H]2Cc2ccccc2)c1C#N 1559109689 BAIVNVFNDAWPQD-BBRMVZONSA-N 297.789 3.958 30 20 CHED C[C@H](CC(C)(C)C)N[C@@H]1CCc2cc(C#N)ccc21 1560805508 HSCKOHZWPZOECM-MLGOLLRUSA-N 256.393 3.960 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cscc1Cl 1596894919 METPJYZGYGJHGJ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED COc1ccccc1C(C)=NNc1ccc(C)c(C(=O)O)c1 1607336223 AIPYPXYTHUOPJE-UHFFFAOYSA-N 298.342 3.538 30 20 CHED N#Cc1cccc(N[C@@H]2CCC[C@@H](CCCC(=O)O)C2)c1 1608218157 IJAKKFDOCGPDGS-DZGCQCFKSA-N 286.375 3.784 30 20 CHED CCC[C@H]1[C@H](C)CCCN1CCOc1ccccc1C#N 1642115515 ITPPZAPGEYRROL-WBVHZDCISA-N 286.419 3.838 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ncc(C#N)cc1F 1650821247 SASRCCMAKHSWOR-MFKMUULPSA-N 261.344 3.719 30 20 CHED COc1ccc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)cc1C#N 1656419907 UJYKFYBXYOJWAR-JKSUJKDBSA-N 286.419 3.871 30 20 CHED C=C(Cn1c(CC)nnc1N(C)CCCC)c1ccccc1 1749246779 ODESAZPFCJOJSQ-UHFFFAOYSA-N 298.434 3.790 30 20 CHED C=C[C@H]1CCCN([C@@H](C(=O)O)c2ccc(F)cc2Cl)C1 1776150358 KLDDNQJMHXTKQX-IINYFYTJSA-N 297.757 3.503 30 20 CHED C=C[C@@H]1CCCN([C@H](C(=O)O)c2ccc(F)cc2Cl)C1 1776150362 KLDDNQJMHXTKQX-YGRLFVJLSA-N 297.757 3.503 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1cnsc1C 1776784479 SPFFRQLGNFSULZ-AWEZNQCLSA-N 298.452 3.745 30 20 CHED COc1cc(C#N)ccc1OCCOc1cccc(C)c1C 11864724 KWTZTOUKACOEOX-UHFFFAOYSA-N 297.354 3.642 30 20 CHED Cc1c(N[C@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] 37299539 GFNBWQZFEZPWGX-GFCCVEGCSA-N 281.315 3.948 30 20 CHED C[C@H](NC[C@@H]1CC=CCC1)c1ccc(OCC#N)cc1 45629100 JLSNBGSNAGRZQH-LSDHHAIUSA-N 270.376 3.596 30 20 CHED N#C[C@@H](C(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccn1 46439274 ZEPVASKLTNFZGC-LZUXJJCOSA-N 294.398 3.864 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(C)(C)C#N 55446845 OJPPNAQAUPZJEN-UHFFFAOYSA-N 285.174 3.502 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccc(OC)c1 60677808 XFYWMBAXRKXFJU-UHFFFAOYSA-N 287.384 3.585 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(CC#N)c1 78037314 VDYLUHLICQZDES-CQSZACIVSA-N 290.366 3.734 30 20 CHED N#C[C@@H](C(=O)/C=C/c1ccc2ccccc2n1)c1ccccn1 83938222 VKDNGKVPMCYLHO-SIFUEBAJSA-N 299.333 3.519 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1cc(C#N)cs1 84181629 PTKSARXSHFVGHQ-GFCCVEGCSA-N 264.394 3.708 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 84710989 MWCRADCHEPOEDQ-MFKMUULPSA-N 299.292 3.729 30 20 CHED C=CCN(CC=C)C(=O)CSCc1cc(C)ccc1C 98068464 VUSHGCHFXOITRI-UHFFFAOYSA-N 289.444 3.737 30 20 CHED N#Cc1ccc(/C=C2\CCOc3ccccc3C2=O)cc1 102971173 AGAHHGZYRAKQMT-RVDMUPIBSA-N 275.307 3.607 30 20 CHED COC(=O)CC[C@H](/N=C/c1ccccc1O)c1ccccc1 105935606 NITORFUEXKCJPM-HUCUOGIVSA-N 297.354 3.506 30 20 CHED N#Cc1ccc(CNCCCc2c[nH]c3ccccc23)cc1 107714247 XZRGZJXCRJCYSH-UHFFFAOYSA-N 289.382 3.762 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)CCCCC)CC1 111442192 XMZICUOHMOONDK-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CCCO[C@@H](C)C(=O)N(C)[C@H](c1ccccc1)C(C)C 112588891 RZPUBZXKQGEDSS-RDJZCZTQSA-N 289.419 3.823 30 20 CHED CC[C@@H](C#N)NC(=O)CC1(CCc2ccccc2)CCCC1 112889607 JILSAVKJGJUOLT-KRWDZBQOSA-N 298.430 3.988 30 20 CHED C[C@H](CCc1ccco1)Nc1ccc(F)cc1C#N 113317563 FQBJYLRYTKLMCW-LLVKDONJSA-N 258.296 3.724 30 20 CHED COc1ccc2[nH]cc(C(=O)/C=C/c3c(C)noc3C)c2c1 114992571 COJHSOHHLCWMQH-FNORWQNLSA-N 296.326 3.677 30 20 CHED CC(C)(C)Oc1ccccc1NC(=O)c1cccc(C#N)c1 115299111 XMWLSVGIVLMGTB-UHFFFAOYSA-N 294.354 3.988 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(F)cc2Cl)C1 116814503 KPWAKTRAPXKXRI-BMIGLBTASA-N 294.757 3.681 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(Cl)c(OC)cc1OC 119356116 LNNBDLPXPXAESM-ZJUUUORDSA-N 269.772 3.582 30 20 CHED CCCc1nnc(S[C@@H](C#N)Cc2ccc(C)cc2)o1 121878838 YIZXZVPYHHLRLW-CYBMUJFWSA-N 287.388 3.558 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc3ccccc3c2)C1 124155283 FZGHAOAZTFELGF-UHFFFAOYSA-N 264.328 3.718 30 20 CHED Cc1ccc(-n2cnnc2SCCCCC#N)c(C)c1 124847123 HSBHCDLIKFHXHZ-UHFFFAOYSA-N 286.404 3.670 30 20 CHED Cc1ccc(F)cc1CN[C@@H](C)c1ccc(C#N)cc1 129021408 OUESNWJJCJIUEO-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED COc1cc(C#N)ccc1N[C@H](C)c1cccc(C#N)c1 129976574 TZFQWPPBDXKUSR-GFCCVEGCSA-N 277.327 3.612 30 20 CHED C=CCOc1ccc(/C=C/C(=O)c2ccco2)cc1OC 130864908 VAODYXLKUFLMPP-SOFGYWHQSA-N 284.311 3.749 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(C)c2cccc(C#N)c2)C1 131858838 HFOZWGBYTQJAIT-KBPBESRZSA-N 270.376 3.737 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(C#N)s2)c1 134495735 SAYHJIUMINZPGM-FNORWQNLSA-N 253.326 3.824 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 134807278 QCRAPPIEHOCUPG-SECBINFHSA-N 290.215 3.689 30 20 CHED N#Cc1ccc(CNC2C3CC4CC(C3)CC2C4)s1 135670772 XZHSGKQERSWCLZ-UHFFFAOYSA-N 272.417 3.534 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc2ccccc12 136163383 RJGBWUHLWFGDDD-MRXNPFEDSA-N 252.317 3.718 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1N(C)C 151390076 BFMUPBQEIHUHCU-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED Cc1ccc(OC[C@H](C#N)CCC#N)c(Br)c1 153519867 SCJHKRRBUVVWTL-NSHDSACASA-N 293.164 3.580 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])s1 157250706 MRMIGGVXJZBJNR-ZZXKWVIFSA-N 289.312 3.566 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cc(O)ccc1[N+](=O)[O-] 157313258 XSPLMOKYHUOZTJ-GORDUTHDSA-N 289.312 3.566 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(-c2ccccc2)nn1 158802391 UDDPCCBRJKWVAL-UHFFFAOYSA-N 296.374 3.574 30 20 CHED C[C@H]1CC(Nc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 165407117 IFXDTFATVBDIFC-UWVGGRQHSA-N 298.308 3.945 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1cccc(F)c1 166518978 FJLMNKFWRXDVLM-QGZVFWFLSA-N 268.335 3.938 30 20 CHED CC[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1ccccc1 172182212 WSJWKJNEMXSFFO-QGZVFWFLSA-N 279.339 3.795 30 20 CHED C=CCCSCc1cc(F)cc2c1OCOC2 172671090 GOFRVAMPLYHRKA-UHFFFAOYSA-N 254.326 3.502 30 20 CHED C=CC1CCN(C(=O)c2ncoc2-c2ccc(C)cc2)CC1 173013419 XJMCLFNBDNUSHC-UHFFFAOYSA-N 296.370 3.688 30 20 CHED C=CCOCCCC(=O)Nc1cccc(Cl)c1C 173025220 NHYAPEQETIWZJG-UHFFFAOYSA-N 267.756 3.570 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 174086733 BIUHTTGLHPQRLI-ROUUACIJSA-N 298.430 3.768 30 20 CHED N#CCCCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 175863380 QVPQSDPBQSDXLN-HUUCEWRRSA-N 292.448 3.720 30 20 CHED Cc1ccc2nc(C3CC3)cc(C(=O)OCCCC#N)c2c1 177444268 LWBSSSKYQQZEKH-UHFFFAOYSA-N 294.354 3.881 30 20 CHED N#Cc1cc(CNC2(c3ccccc3)CCC2)ccc1F 177510156 QLQSTCMKAKYQMN-UHFFFAOYSA-N 280.346 3.866 30 20 CHED Cc1nc(CO/N=C(\N)C2CCCCCC2)sc1C 179003488 YBCQGUKJGPXBIG-UHFFFAOYSA-N 281.425 3.519 30 20 CHED Cc1nc(Cl)ccc1COC(=O)C1(C#N)CCCCC1 179110702 LEEXABZFLIGPIZ-UHFFFAOYSA-N 292.766 3.561 30 20 CHED C#CCCCCC(=O)N(Cc1ccco1)Cc1ccco1 179723682 AXVLTZHNOMDWAR-UHFFFAOYSA-N 285.343 3.595 30 20 CHED C=CCC[C@H](NCc1nc(C2CC2)no1)c1ccccc1 180039649 SXZGFJJECJYQAQ-HNNXBMFYSA-N 283.375 3.744 30 20 CHED C#CCCCNC(=O)CCCc1ccc2ccccc2c1 181104681 CWFNFCDSVQMAEI-UHFFFAOYSA-N 279.383 3.692 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)CCSC 181112553 HLXPYNKEWKXWHC-STQMWFEESA-N 272.458 3.514 30 20 CHED C=CCC[C@@H](O)CN[C@H](C)c1cccc(C(F)(F)F)c1 181608457 GRSCXKLPRZXMMI-BXUZGUMPSA-N 287.325 3.683 30 20 CHED Cc1csc(CCCCN[C@H](C)c2ccc(C#N)cc2)n1 181665944 BUDWMJNVNOXLQM-CQSZACIVSA-N 299.443 3.997 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 183355796 XWEPSUBZDAHMSY-SJORKVTESA-N 293.451 3.855 30 20 CHED CC[C@H](CC#N)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 183953440 WBJSENGOCXAXRS-OQHXTRMZSA-N 296.292 3.527 30 20 CHED C#CCCCCC(=O)N(CCC)CCc1cccs1 184379480 BJJPFBMUAAUXFR-UHFFFAOYSA-N 277.433 3.723 30 20 CHED C[C@H](NCCCNc1cccc(F)c1)c1ccc(C#N)cc1 184463528 GVHWBKTYVMTGFH-AWEZNQCLSA-N 297.377 3.850 30 20 CHED Cc1cc(C#N)ccc1CSCc1nccs1 186085020 QBXRKAPLZNGWEO-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C=C(C)[C@@H](NCc1cscn1)c1ccc(F)c(F)c1 187373761 JVOJXQFOBODHHK-CQSZACIVSA-N 280.343 3.828 30 20 CHED C=CCn1c(C)nnc1SCc1cc(F)ccc1C 187966149 RFZVFEUDSKODQP-UHFFFAOYSA-N 277.368 3.512 30 20 CHED CC(C)c1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 189584152 JOHRXXOYOCTKJL-AWEZNQCLSA-N 281.403 3.871 30 20 CHED COc1ccc(NCc2ccc(C#N)c(F)c2)c(C)c1 190367462 VXDRTYNZVFPMIR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C#CCCCC(=O)N(C)Cc1cccc(Cl)c1Cl 192070132 OMKSDLWXFREBON-UHFFFAOYSA-N 284.186 3.755 30 20 CHED CCCC(CCC)C(=O)N(C)c1ccccc1C#N 211836102 IBZMFWULFRTQCD-UHFFFAOYSA-N 258.365 3.737 30 20 CHED C[C@H]1/C(=C/c2ccc(O)cc2)C(=O)c2c(O)ccc(F)c21 213219383 BVHYDKDULGTQBA-RILYUOAZSA-N 284.286 3.620 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccsc2)cc1 213888557 GEXCJXWAIJEPKV-BAQGIRSFSA-N 257.358 3.710 30 20 CHED N#Cc1cccc(COc2cc(F)ccc2F)c1F 219766574 IABOUTYJXRTDMX-UHFFFAOYSA-N 263.218 3.555 30 20 CHED O=C(Nc1cccc(C(F)(F)F)c1)C(F)(F)C(F)F 226595953 WXEIRLVJZJXVLV-UHFFFAOYSA-N 289.150 3.544 30 20 CHED CS[C@@H]1CCC[C@H](Nc2nc(C)cc(C)c2C#N)C1 227359628 IXUDXFMMBIDUIW-QWHCGFSZSA-N 275.421 3.656 30 20 CHED CC(C)c1ccc(-c2noc(-c3ccc(C#N)[nH]3)n2)cc1 230958124 GCCIOMUVHXOSFZ-UHFFFAOYSA-N 278.315 3.727 30 20 CHED C=CCCCCCOc1cccnc1Br 232462959 DJEUJBCBNMKMOP-UHFFFAOYSA-N 270.170 3.969 30 20 CHED Cc1cc(C)cc(N(C)Cc2ccc(F)c(C#N)c2)c1 234322125 NRVZGBDVPJXRAS-UHFFFAOYSA-N 268.335 3.951 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 247978232 GHNRTUNIAZIDNY-OKZBNKHCSA-N 296.414 3.733 30 20 CHED N#Cc1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 252454821 KFDPMVZEOVUXBM-FYNNLBNCSA-N 252.361 3.795 30 20 CHED C=CCOC(=O)Cc1csc(-c2ccccc2Cl)n1 253374005 KWZOTHDTETVINL-UHFFFAOYSA-N 293.775 3.735 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2cccc(C)c2)o1 255896189 NHQDIRYTUSIRTH-CLFYSBASSA-N 284.311 3.661 30 20 CHED C=CCN(C(=O)CO[C@H]1CCC[C@@H](C)C1)c1ccccc1 261426598 BPCDPURQVAYVJP-WBVHZDCISA-N 287.403 3.801 30 20 CHED Cc1ccsc1-c1nnc(SCCCC#N)o1 264323452 BKMXPAAROJKSDW-UHFFFAOYSA-N 265.363 3.502 30 20 CHED N#CC1CCN(CCc2ccc3ccccc3c2)CC1 265221555 NRZAZYYCMLIKLF-UHFFFAOYSA-N 264.372 3.618 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1cccc(OC(F)F)c1 272009475 JWOMHISCVZMSLD-LLVKDONJSA-N 282.334 3.878 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 278545876 NQJKUXPUDKRASY-GHMZBOCLSA-N 283.824 3.930 30 20 CHED CC[C@H](Nc1ccc(C)nc1)c1ccc(C#N)cc1 278610862 FOVIXIQXHSEEGQ-INIZCTEOSA-N 251.333 3.825 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)C2CCC2)C1 278642894 PDOCARYXORGKHP-JLZZUVOBSA-N 272.367 3.949 30 20 CHED CC[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 279743998 XIUXUTGZRQDLNS-MRXNPFEDSA-N 284.403 3.892 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1csc(C(C)(C)C)n1 280736202 WJZJBNIPPKMDIY-GXTWGEPZSA-N 294.464 3.511 30 20 CHED C[C@H]1c2ccccc2CCN1CCCC1(C#N)CCOCC1 282039379 QTDDLJILLTYTNL-INIZCTEOSA-N 298.430 3.706 30 20 CHED N#Cc1ccc(CN(CCCCCF)C2CC2)cc1 283894036 BCYWLMRKIGKUAS-UHFFFAOYSA-N 260.356 3.662 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 284186433 LILRVUBUAHOITF-OIISXLGYSA-N 282.387 3.750 30 20 CHED C=CCC(C)(C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C 295600320 YAKIKZRMXRVZGG-UHFFFAOYSA-N 287.363 3.827 30 20 CHED CC(C)(C)N1CCC(Nc2c(Cl)cccc2C#N)CC1 301372360 QBYHLWVTPUNNKL-UHFFFAOYSA-N 291.826 3.886 30 20 CHED CO[C@@H](CNc1ccc(C#N)cc1F)c1ccc(F)cc1 301439727 UWIJCPREWQLBHL-INIZCTEOSA-N 288.297 3.636 30 20 CHED C[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@H]1COc2ccccc21 301871747 WYGJSWUEYVOVLT-ZYHUDNBSSA-N 299.761 3.583 30 20 CHED Cc1csc(-c2ccc(Nc3ccc(C#N)nn3)cc2)n1 301954215 DGYNAKOAIGMAAG-UHFFFAOYSA-N 293.355 3.524 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1C[C@H]1c1cccc(F)c1 302871233 YYOHHDBEHONACM-GOEBONIOSA-N 270.282 3.804 30 20 CHED Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(C#N)cc2)c1 303966345 QKDJXWDHJFUWBM-OAHLLOKOSA-N 292.382 3.536 30 20 CHED CC(C)(C)c1cnc(N/C(O)=N/[C@@H]2CSC2(C)C)s1 328729632 FOGPYSUCJCIHRO-MRVPVSSYSA-N 299.465 3.661 30 20 CHED Cc1noc(C)c1N=C(O)CC/C(O)=N/C1CCCC1 328793615 SAKCHJGKZJFSSP-UHFFFAOYSA-N 279.340 3.559 30 20 CHED OC1=NCCc2c1ccc(N=C(O)[C@@H]1CC=CCC1)c2F 328915919 QZSGWTALJVEMSM-SNVBAGLBSA-N 288.322 3.631 30 20 CHED Cc1ccc(N=C(O)c2cccnc2C2CC2)c(C)n1 329652679 LEJMCVPTEQHTSE-UHFFFAOYSA-N 267.332 3.607 30 20 CHED C[C@H]1C[C@@H](NC(O)=Nc2cccc(C3CCC3)c2)CCO1 329796484 GYOGTCKGVNPMCL-LRDDRELGSA-N 288.391 3.657 30 20 CHED C[C@H](/N=C(/O)C[C@H]1CCOC1)c1nc(C(C)(C)C)cs1 329797075 XBMASNQFCKYGIK-WDEREUQCSA-N 296.436 3.885 30 20 CHED Cc1cc(/C(O)=N/[C@H]2CCCC(F)(F)C2)c2n[nH]cc2c1 330186265 JQCVGENQKWIWNP-NSHDSACASA-N 293.317 3.754 30 20 CHED CC[C@H](C)/N=C(/O)Nc1ncc(C(C)(C)C)s1 331249509 ODKMNFSOJNLOKI-QMMMGPOBSA-N 255.387 3.565 30 20 CHED COCC(C)(C)NC(O)=Nc1ccccc1C(C)(C)C 331257129 XDNVNTCFLZZNAF-UHFFFAOYSA-N 278.396 3.544 30 20 CHED COc1ccc(Cl)c(N/C(O)=N/[C@@H]2CC[C@H](C)C2)c1 331285095 MWRYUZOZXHFZKV-VHSXEESVSA-N 282.771 3.863 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)C1CC(C)(C)C1 332450127 FWTPYXGFPSCOLW-UHFFFAOYSA-N 271.364 3.519 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1ccc(F)c(C#N)c1 334410226 JOIGGLOFTKZTRQ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CC(C)c1ncc(/C=C/c2ccncc2C#N)s1 334447011 PXIGPAMQWJZTBI-ONEGZZNKSA-N 255.346 3.704 30 20 CHED N#Cc1ccc(CN[C@@H]2CSc3ccccc32)s1 335289142 BQSNLUNOIRXGEI-CYBMUJFWSA-N 272.398 3.556 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)N(C)C1CCCC1 335592862 ZROZCXGWYVKSGW-CYBMUJFWSA-N 285.391 3.545 30 20 CHED Cc1c(F)ccc(Cl)c1NC(=O)c1cccc(C#N)c1 335850877 WCIQSRSSHLHKIL-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCc2ccccc21 338280263 YXHHEGFQTILFOW-CYBMUJFWSA-N 293.326 3.608 30 20 CHED C=CCCC(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 338663975 FDBBOHGMMVUMAJ-HNNXBMFYSA-N 286.419 3.823 30 20 CHED C=CCOCCN1CCCCC[C@@H]1c1ccc(C)o1 339001799 RSNHWHAKZARHCL-OAHLLOKOSA-N 263.381 3.708 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cccc(C#N)c1 341080260 RECAAYBDEKEQDE-UHFFFAOYSA-N 294.329 3.526 30 20 CHED C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[C@H](SCC)C1 341259692 NEYVOFPTPOURSG-OLZOCXBDSA-N 269.454 3.721 30 20 CHED N#Cc1ccc(NCC2(c3ccccn3)CCC2)c(F)c1 343931256 AVZAFUNYWZFDOU-UHFFFAOYSA-N 281.334 3.626 30 20 CHED C=C(CNC(=O)c1cccc2cccnc12)c1ccccc1 345830666 DNOLTMIMZQMSHN-UHFFFAOYSA-N 288.350 3.678 30 20 CHED CC(C)(CCC#N)CNC(=O)Cc1cccc2ccccc12 345915704 VLWSNPHTGPYYQS-UHFFFAOYSA-N 294.398 3.828 30 20 CHED C=CCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 347719528 NFYRVWXHBWWTCZ-ZDUSSCGKSA-N 261.756 3.539 30 20 CHED C=CC[C@H]1N(C(=O)c2oc(CC)nc2C)CCCC1(C)C 351104139 ATTKZWUQRBJIQV-CYBMUJFWSA-N 290.407 3.752 30 20 CHED N#Cc1ccc(CN(C(=O)C2=CCCCC2)C2CC2)cc1 352201920 WDKWDGJBLDVYOY-UHFFFAOYSA-N 280.371 3.550 30 20 CHED N#Cc1ccnc(NCc2ccc3sccc3c2)c1 357596973 PASQFCLGHWJNQM-UHFFFAOYSA-N 265.341 3.780 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](Oc3ccccc3)C2)CCC1 358753682 QILLDAJHKGPAOH-KRWDZBQOSA-N 299.414 3.803 30 20 CHED C=CCOCCCSCc1csc([C@H](C)OC)n1 359131877 MPGMJMFYMUHFBA-NSHDSACASA-N 287.450 3.676 30 20 CHED Cc1nc(NCc2noc3ccccc23)c(Cl)cc1C#N 360088383 HFXMONTVIUKVOW-UHFFFAOYSA-N 298.733 3.668 30 20 CHED Cc1ccccc1CNc1ccccc1NC(=O)[C@H](C)C#N 360591820 SJRSLVHUQATPJX-CQSZACIVSA-N 293.370 3.705 30 20 CHED C=CC[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 360649846 WMKWSGRHWBUDCS-DYVFJYSZSA-N 254.377 3.880 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCc1nccs1 360841650 SLPDNEKHHUEDEK-MRXNPFEDSA-N 297.427 3.615 30 20 CHED N#Cc1ccnc(N2CCC(c3c(F)cccc3F)CC2)c1 376426611 JXPFVPFJWSWRQE-UHFFFAOYSA-N 299.324 3.615 30 20 CHED CCCCCCCSc1nc(C(=O)O)cs1 379005737 FVKPLGHFUJIWSP-UHFFFAOYSA-N 259.396 3.904 30 20 CHED C[C@@H](Cc1cccs1)N(C)Cc1ccc(CC#N)cc1 399114228 FMXHWTYAGFKRJY-AWEZNQCLSA-N 284.428 3.877 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(-c2ccccc2)[nH]1 410135272 MJGLHFJYUMNNGK-AWEZNQCLSA-N 268.360 3.766 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1CCCC1(C#N)CCOCC1 410384840 WGUNTKLHXZQNMN-BRWVUGGUSA-N 290.451 3.740 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(SCC)cc1 410836196 QPTNSIVDVNJBAX-ZDUSSCGKSA-N 276.405 3.563 30 20 CHED CC[C@@H](C)CCC(=O)N1CCCc2cc(C#N)ccc21 411002589 PWBWOMVLQFHIMV-CYBMUJFWSA-N 270.376 3.664 30 20 CHED CN(C)CCC1CCN(CCC2(C#N)CCCCC2)CC1 411193248 SMOUHCOLDSCSDJ-UHFFFAOYSA-N 291.483 3.514 30 20 CHED C[C@@H](CCC#N)N(C)Cc1ccc(Br)c(F)c1 411638186 ZPJUWOGBWBIEHW-JTQLQIEISA-N 299.187 3.712 30 20 CHED N#CC1(CN[C@H](c2ccccc2)C2(CO)CCCCC2)CC1 412011988 WJIBHIUTWNVMIP-QGZVFWFLSA-N 298.430 3.564 30 20 CHED CC1(C)C[C@@H]1NC(=O)N[C@@H](CCCC#N)c1ccccc1 413581729 RBNBCIIPBYVFMQ-GJZGRUSLSA-N 285.391 3.519 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 413987909 OOJIRRSNILFALC-QGZVFWFLSA-N 296.414 3.764 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1ccc(C#N)cc1 414166933 OKUIQBHYQPJRLU-OAHLLOKOSA-N 255.365 3.539 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(C)n(C)n1 414298521 IXLWQQRXKJXXJL-DOTOQJQBSA-N 283.419 3.567 30 20 CHED C=CCC1(C(=O)N[C@H]2CC(=O)c3ccccc32)CCCC1 416192938 QWFHWJQTBHOUIQ-HNNXBMFYSA-N 283.371 3.567 30 20 CHED C[C@H](SCC[C@H]1CCOC1)c1ccc(C#N)cc1 419433152 ZBCRZERVNNINRY-GXTWGEPZSA-N 261.390 3.779 30 20 CHED CN(CCSCC1(C#N)CCC1)c1ccccc1 419585964 QMWPUWILGKUKLH-UHFFFAOYSA-N 260.406 3.550 30 20 CHED CC[C@H](C)CNCc1cn(CCC#N)nc1-c1ccccc1 421388508 UDPHTRLSROWNAH-HNNXBMFYSA-N 296.418 3.599 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2c(F)cccc2F)CCC1 421417070 GNNMFELRDYGCFE-UHFFFAOYSA-N 293.357 3.811 30 20 CHED CCN(C(=O)[C@]12CCC[C@@H]1C2)[C@@H](C)c1ccc(C#N)cc1 421438671 RLVZXSYTEPWSOS-XCRHUMRWSA-N 282.387 3.658 30 20 CHED CC(C)[C@H](Cc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 424321184 GYBHFECQOFNOLE-BBWFWOEESA-N 256.393 3.536 30 20 CHED C=C(CC)CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 424861659 FGTDGTXDJXXBDB-TYUFSLCMSA-N 289.341 3.684 30 20 CHED CC(C)N(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 426367375 WVXJQQVXAYBJBO-UHFFFAOYSA-N 281.321 3.930 30 20 CHED N#CCCCOc1cccc(CN2CC[C@H]3CCC[C@H]32)c1 428452765 NAIUWPXWVDINCC-SJLPKXTDSA-N 284.403 3.744 30 20 CHED C[C@H](CNCC1(CC#N)CC1)c1cccc(Cl)c1 430006689 PNNPJFIEYXTDPY-GFCCVEGCSA-N 262.784 3.727 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1ccccc1 432103037 OJRGPKKUFUWQCV-CYBMUJFWSA-N 260.381 3.649 30 20 CHED C[C@H]1CCCC[C@H]1OCCn1nc(C#N)c2ccccc21 432464865 RAUKKWGVGKGDNY-SUMWQHHRSA-N 283.375 3.503 30 20 CHED CC(C)c1ncc(CN(C)[C@@H](C)c2cccc(C#N)c2)cn1 440481171 MIIYKNXWNNBDKQ-AWEZNQCLSA-N 294.402 3.665 30 20 CHED C=CC[C@H](CC)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] 440646229 KKRTWHDYDBDGTL-LBPRGKRZSA-N 262.309 3.564 30 20 CHED CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1F 442773043 BUUVBCVGDILGJA-KFNAQCHYSA-N 278.346 3.944 30 20 CHED COc1cc(CN(C2CC2)[C@@H](C)C(C)C)ccc1C#N 442808523 HQRBUASTURGOIT-ZDUSSCGKSA-N 272.392 3.576 30 20 CHED Cc1ccnc(CS[C@@H](C)c2cccc(C#N)c2)n1 443128373 DTSVLGWUGTUPGU-LBPRGKRZSA-N 269.373 3.651 30 20 CHED Cc1ccc(C)c(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 447901635 HNRSPSCZVSGOEA-RBUKOAKNSA-N 298.430 3.731 30 20 CHED N#CC1(CN2CCC[C@@H]2c2ccc(F)cc2)CCC1 450226129 JRWFCBZRFZIWCJ-OAHLLOKOSA-N 258.340 3.656 30 20 CHED CC[C@H](NC[C@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1 453319054 NCCUVLFGKHRBLF-WMZOPIPTSA-N 298.430 3.948 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccccc1OCCOC 453586238 RMCZEBBUVZRDCQ-KBPBESRZSA-N 263.381 3.724 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 454340100 BUNZMVBOJZRWMN-QWHCGFSZSA-N 287.407 3.743 30 20 CHED CC[C@@H]1C[C@H]1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 454427415 BEKYBMSVZMFQRL-OLZOCXBDSA-N 285.391 3.655 30 20 CHED C=C(C)CCNC(=O)N(CC)Cc1cccc(Cl)c1 455309114 KSQVUTKKIHNFTF-UHFFFAOYSA-N 280.799 3.838 30 20 CHED C=CCN(CCc1ccccc1)C(=O)NCC(C)(C)C=C 455360675 COYYOJMQPILJLU-UHFFFAOYSA-N 286.419 3.639 30 20 CHED C=CCC1(CNC(=O)C[C@@H]2CCO[C@@H](CC)C2)CCCC1 456483608 HMVQPPVTFGBBHN-CVEARBPZSA-N 293.451 3.834 30 20 CHED C[C@H](CCC(=O)NCC(C)(C)CC#N)c1ccccc1 457992941 LTFAUGROGUAGHY-CQSZACIVSA-N 272.392 3.626 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCCC[C@H]1CC 458808378 IGDYLERJDLGWAL-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=CC(C)(C)CNC(=O)N1CCc2sccc2[C@@H]1CC 458985693 IRFMEUDWGFAZPJ-ZDUSSCGKSA-N 292.448 3.979 30 20 CHED CC(C)(C#N)CCN1Cc2sccc2CC1(C)C 459578454 IGHIVEBWMZFEOR-UHFFFAOYSA-N 262.422 3.825 30 20 CHED C=CCC(C)(C)C(=O)Nc1sc(C)c(C)c1C#N 459842948 FUQGFHAZIWSUAJ-UHFFFAOYSA-N 262.378 3.777 30 20 CHED C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1cccc(C#N)c1 461749805 YDTNMHROYQHHIU-AYMQEEERSA-N 284.403 3.603 30 20 CHED C[C@H]1CN(C(=O)[C@H](C)c2cccc(C#N)c2)c2ccccc21 461907767 JPMPVFVAFBXXHB-UONOGXRCSA-N 290.366 3.812 30 20 CHED CC1CCC(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 461927223 JXGVRKCXOQZOCO-SLTAFYQDSA-N 284.403 3.604 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1c1nccc(C)c1C#N 462695512 HAIPUABRMIIMHQ-DOMZBBRYSA-N 257.381 3.667 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 466378947 AQJHPQHSQZFMJW-MNOVXSKESA-N 292.345 3.714 30 20 CHED CC#CCCCC(=O)N1CCc2ccccc2C1(C)C 466643622 QRHXNRKPYHEWDN-UHFFFAOYSA-N 269.388 3.500 30 20 CHED C=CC[C@H]1N(C(=O)CC[C@H]2CCCCO2)CCCC1(C)C 470296188 HYXIKYVQFCFOGN-HZPDHXFCSA-N 293.451 3.929 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1(CCC)CC1 471061258 FLPTZWCGAYORAH-UHFFFAOYSA-N 275.367 3.921 30 20 CHED CCN(Cc1ccc(C#N)cc1Br)CC(C)C 480650724 IAQYIYDLYWDYPF-UHFFFAOYSA-N 295.224 3.799 30 20 CHED N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)cc1F 483114853 LMMMUPOPSLNHCO-MRXNPFEDSA-N 298.336 3.826 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(Cl)ccc2c1CCO2 484610988 YLBRFTLVHOSCEL-UHFFFAOYSA-N 291.778 3.982 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)cc1F 487604414 IXHKSAPHTDDFBF-UHFFFAOYSA-N 263.356 3.953 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(F)c2C#N)C1 488343153 CUCBNOUQWMIAJH-QWHCGFSZSA-N 288.366 3.642 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(Cl)cc(OC)c1 489719213 VGTBKOFIKITWDI-UHFFFAOYSA-N 281.783 3.681 30 20 CHED C=CC[C@H](C(=O)Nc1cccc2c1OCO2)c1ccccc1 490243177 IBQSOSOKEUPRFF-AWEZNQCLSA-N 295.338 3.714 30 20 CHED C#C[C@H](NCc1cnccc1C)c1ccc(Cl)cc1 491671893 QYYVTOBUOIOUBZ-INIZCTEOSA-N 270.763 3.508 30 20 CHED C#C[C@H](NCc1cccc(OCCCC#N)c1)C(C)(C)C 491692665 JBMBTKBKFZOHMA-KRWDZBQOSA-N 284.403 3.507 30 20 CHED CCCc1csc(CNc2ccc(CC#N)cc2)n1 494333836 UACNTSAVUPQZGA-UHFFFAOYSA-N 271.389 3.774 30 20 CHED CC#CCCNC(=O)c1sc(-c2ccccc2)cc1OC 498580988 RNZJUHXHUQXNJL-UHFFFAOYSA-N 299.395 3.567 30 20 CHED CC#CCCNC(=O)c1ccc(-c2ccc(F)cc2)s1 498610329 MEMVIXLUVFDSEU-UHFFFAOYSA-N 287.359 3.697 30 20 CHED C=CCN1CC[C@@H](NC(C)(C)CC2CCCCCC2)C1=O 499697418 UONDMZXYBVHVGB-MRXNPFEDSA-N 292.467 3.502 30 20 CHED CCc1ccc(OCc2ccc(C#N)cc2OC)c(OC)c1 500857193 GAXWWYTYKFUXQZ-UHFFFAOYSA-N 297.354 3.717 30 20 CHED C=CCOc1cccc(CNc2cc(C#N)ccc2OC)c1 500973704 SQOAUQPGPNUGEA-UHFFFAOYSA-N 294.354 3.744 30 20 CHED C=C(C)CCSc1nnc(-c2ccc(C)cc2)n1C 505487453 OTKAGPDFRAFSLC-UHFFFAOYSA-N 273.405 3.849 30 20 CHED N#Cc1ccc(Oc2ccc(OC[C@@H]3CCCO3)cc2)cc1 505531626 DWSLOQZFVBSYPR-SFHVURJKSA-N 295.338 3.908 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc2nc(OC)sc2c1 508680974 QWGYMDFLYUFTPR-UHFFFAOYSA-N 290.388 3.846 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Oc1cc(F)ccc1Cl 509794244 KZACFJSYXREMCR-LLVKDONJSA-N 299.773 3.671 30 20 CHED C=C(CNC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 512682423 WHFJCPYJCXHHJO-HOTGVXAUSA-N 284.403 3.531 30 20 CHED CCC1(CC)CN(C(=O)NCC(C)(C)C#N)c2ccccc21 512782624 FKELGUGVFPCKBQ-UHFFFAOYSA-N 299.418 3.824 30 20 CHED Cc1cc(OCCN(C)C[C@@H](C)C#N)ccc1C(C)C 513963347 PHENLVUPWXMAJV-AWEZNQCLSA-N 274.408 3.589 30 20 CHED CCc1ccc([C@@H](CNc2ccc(C#N)cc2)N(C)C)cc1 514318790 ILUUJMFGAQDNEF-LJQANCHMSA-N 293.414 3.835 30 20 CHED CN(C)c1cccc(OCc2ccc(Cl)cc2C#N)c1 521943756 OQVMFJCOPXVKHG-UHFFFAOYSA-N 286.762 3.857 30 20 CHED CN(C(=O)c1cc(C#N)cs1)[C@@H]1CCCc2ccccc21 530731430 TZADBSQHSXIFCS-OAHLLOKOSA-N 296.395 3.769 30 20 CHED N#Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(F)c1 535364999 XLCOPIGMOMTFOE-UHFFFAOYSA-N 271.682 3.894 30 20 CHED C=CCCC[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] 537190789 YTNWOANUOUSYTG-NSHDSACASA-N 276.336 3.954 30 20 CHED CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccc(C#N)s1 538797740 WUXIJYHKASKFKD-GJZGRUSLSA-N 292.448 3.645 30 20 CHED CC(C)CC[C@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 540468582 ZSRMXRYLNSKLRW-NSHDSACASA-N 278.783 3.766 30 20 CHED CC#CCN[C@H](Cc1ccccc1)c1cccs1 542527929 YTMORWUEYVIUPF-OAHLLOKOSA-N 255.386 3.645 30 20 CHED C=CCC[C@@H](C)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 544602577 MZMHLNHLIDTWAJ-RISCZKNCSA-N 287.325 3.683 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC)Cc1ccc(C)cc1 545243488 GCIZSMBQRGGECA-INIZCTEOSA-N 274.408 3.881 30 20 CHED C=CCC[C@H](C(=O)Nc1cnc(O)c(C)c1)c1ccccc1 548634279 ISSYFMPTNYVVMV-INIZCTEOSA-N 296.370 3.784 30 20 CHED CCN(Cc1ccc(Cl)cc1C#N)C1CCCC1 551406429 LAZCXMVLHYFWLE-UHFFFAOYSA-N 262.784 3.976 30 20 CHED C=CCCC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 552833417 TXOLGTOQWBNRDH-GOSISDBHSA-N 271.404 3.923 30 20 CHED Cc1nsc(N[C@H]2C[C@H](c3cccc(F)c3)C2)c1C#N 553225189 JNHMBRLSQVJYCR-AULYBMBSSA-N 287.363 3.820 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC2(C)C)c1 554195506 YLTGZINAJGGHPM-AWEZNQCLSA-N 274.364 3.562 30 20 CHED C=CCCCCN[C@H](CC)c1ccc(C(=O)OC)cc1 559842416 HARWEQFBULFIIK-MRXNPFEDSA-N 275.392 3.870 30 20 CHED C=C(CC)CN(C)CCCc1cc(-c2ccccc2)n[nH]1 561328879 PQFXFMIPSXLQFD-UHFFFAOYSA-N 283.419 3.907 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)c1ccc(C#N)cc1 561379474 UNHZTRQAZUHLBD-UHFFFAOYSA-N 294.402 3.918 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@@H](C)[C@H](C)C1 570295877 ATCDSIYOCJKXET-ZIAGYGMSSA-N 288.439 3.604 30 20 CHED C=CCCCNC(=O)Nc1ccc(Oc2cccnc2)cc1 570548626 KYGGPDMUTGESKU-UHFFFAOYSA-N 297.358 3.962 30 20 CHED C=CCC(C)(C)c1noc(CSc2ccc(O)cc2)n1 572107004 YJMNYMWNJAPTIH-UHFFFAOYSA-N 290.388 3.921 30 20 CHED Cc1nc2c(n1Cc1ccccc1C(C)(C)C#N)CCCC2 573064810 ZJVHRDFSPIVRCP-UHFFFAOYSA-N 293.414 3.920 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC[C@H](C#N)CCC#N)CC1 578642442 HARXXCLWICQXSQ-XHSDSOJGSA-N 261.413 3.624 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(Cc2cc3ccccc3s2)no1 579082065 OQKBVKHZEFGSKA-QFYYESIMSA-N 295.367 3.676 30 20 CHED CC[C@@]1(C)CCN(C(=O)Nc2scc(C)c2C#N)C1 581079410 FDLPRDABCSDSKG-AWEZNQCLSA-N 277.393 3.582 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 581534775 TYSJGCGROZODJD-QXRTWZOPSA-N 296.414 3.604 30 20 CHED Cc1cc2sc(C(=O)NC[C@H](C)C#N)c(C)c2cc1C 582280613 FGQLSWVFKZORPM-SECBINFHSA-N 286.400 3.716 30 20 CHED CCCC1CCC(NC(=O)CCCCCC#N)CC1 588153455 UHJUJJJCCSOQTB-UHFFFAOYSA-N 264.413 3.936 30 20 CHED CCC(C)(CC)C(=O)Nc1cc(C#N)c2ccccc2n1 589044862 DKCNOYGVTKLLSK-UHFFFAOYSA-N 281.359 3.871 30 20 CHED COc1cccc2c1CCCCN2Cc1ccc(C#N)o1 589820236 HFMQHFMIPPFBHR-UHFFFAOYSA-N 282.343 3.503 30 20 CHED CC(C)C1(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 590260621 GUZHJYBQLRSLKE-MRXNPFEDSA-N 254.377 3.714 30 20 CHED Cc1c(C(=O)N[C@H](C)c2cccc(C#N)c2)ccn1C(C)C 590286384 SGFIBJRJPOVGEP-CYBMUJFWSA-N 295.386 3.740 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 591768099 FTBWLKIMOCDLJF-HEHGZKQESA-N 270.376 3.562 30 20 CHED CC[C@H](C#N)C(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 593546669 IVPSNEPPICLEOJ-CYBMUJFWSA-N 286.419 3.885 30 20 CHED N#CC1(Cc2cn(CC3CCCCC3)nn2)CCCCC1 594648056 QNSVBTOGOILFHY-UHFFFAOYSA-N 286.423 3.875 30 20 CHED CCCC[C@H](CC)CNC(=O)N1CCC[C@H](CC#N)C1 595435570 QNQIQKQIEXAPOQ-LSDHHAIUSA-N 279.428 3.538 30 20 CHED N#CCC1(COc2ccc(NC(=O)c3ccco3)cc2)CC1 596237374 WYULDCKQDPQLCE-UHFFFAOYSA-N 296.326 3.605 30 20 CHED C=CCCC(C)(C)NC(=O)NCCCCCSC 596576620 MNVJTWBTRVUTHM-UHFFFAOYSA-N 272.458 3.564 30 20 CHED CCOc1ccc(CN2CCC(C)(C#N)CC2)c(C)c1 597085148 SAJJCZAZEAXIGG-UHFFFAOYSA-N 272.392 3.519 30 20 CHED CCSCc1cccc(NC[C@H](O)CC(C)(C)C#N)c1 598726904 XGLUGSRJFQIVDC-OAHLLOKOSA-N 292.448 3.652 30 20 CHED CCC[C@@H](C(=O)N(C)[C@@H](C#N)CC)c1ccc(Cl)cc1 598849601 FXKUZVRMJLOAFB-HUUCEWRRSA-N 292.810 3.984 30 20 CHED CC(C)N(Cc1cccs1)C[C@@H](C)CCC#N 602439741 MNGQBJSXCGULNI-ZDUSSCGKSA-N 250.411 3.898 30 20 CHED Cc1cc(C)c(C#N)c(NCC2(c3cccc(F)c3)CC2)n1 610077508 WBRNQMIIIHUEAV-UHFFFAOYSA-N 295.361 3.853 30 20 CHED N#C[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)C1CCCCC1 610502355 WJQYSBVPERECJG-FUHWJXTLSA-N 296.414 3.695 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCCc2cccc(O)c2)n1 613417201 CAUIFVRUZFJMSL-UHFFFAOYSA-N 295.386 3.611 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccccc2F)C1 617784578 UMWYIUGMOXZRST-HUUCEWRRSA-N 289.394 3.819 30 20 CHED Cc1nc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cs1 618804898 MYEFPTFQIWSOFE-BMIGLBTASA-N 283.400 3.661 30 20 CHED C[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)C(C)(C)C 619767392 XHTIOSMMWXOGOP-JTQLQIEISA-N 278.783 3.510 30 20 CHED C=CCN(C(=O)c1cnc2ccsc2c1)C(C)(C)C 622944014 AMTUZYOKLQTGFW-UHFFFAOYSA-N 274.389 3.723 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCS[C@@H]1C 648680344 ZQYXAVZMYXVQLM-YPMHNXCESA-N 293.457 3.589 30 20 CHED C=CCCNCc1cnc(-c2cccs2)s1 657582995 RGABYVGQLMIPPJ-UHFFFAOYSA-N 250.392 3.537 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCCn1nc(C)cc1C 657822154 WPEIJROZVMAUKP-IAGOWNOFSA-N 275.440 3.615 30 20 CHED C=CC[C@H]1CCCN(CC(=O)Nc2c(C)cccc2C)C1 661379333 BSMKEOYDHINLMK-INIZCTEOSA-N 286.419 3.530 30 20 CHED C=CCc1cccc(F)c1OCc1cc(C)nc(C)n1 664102682 ZDSCJBDLJOLCSD-UHFFFAOYSA-N 272.323 3.540 30 20 CHED COc1ccc(OCc2ccc(C#N)cc2C)c(C(C)=O)c1 681591185 DNEZKGOBEPBEMM-UHFFFAOYSA-N 295.338 3.657 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCc2ccccc2C1 682381320 VLEUXNDARDABRY-KDOFPFPSSA-N 271.404 3.510 30 20 CHED C=CCCN(C)C(=O)c1ccc(OC2CCCC2)cc1 682428915 WXGDQOOKGBOCNA-UHFFFAOYSA-N 273.376 3.656 30 20 CHED Cc1ccccc1C(=O)Nc1ccc(Cl)cc1C#N 702431870 WZOLMVAHFJQSMF-UHFFFAOYSA-N 270.719 3.772 30 20 CHED COc1ccc(/C=C2\CCc3sccc3C2=O)cc1O 726891175 HEEWPIZDRRAROP-DHZHZOJOSA-N 286.352 3.675 30 20 CHED CCC/C=C\C(=O)N(CCC#N)CC(CC)CC 729433827 SFRNJCFLIMSXIQ-NTMALXAHSA-N 250.386 3.521 30 20 CHED C=CCN(C(=O)C[C@@H](C)Cc1ccccc1OC)C(C)C 730475159 YSJIWJSYNJOQFJ-HNNXBMFYSA-N 289.419 3.687 30 20 CHED CCc1ccc(C=NNc2ncccc2Cl)s1 731151580 LNQNEXZODQDQST-UHFFFAOYSA-N 265.769 3.805 30 20 CHED CCCCCCCCOC(=O)c1ccnc(C2CC2)n1 732694807 RRLRYXRFPDPIMV-UHFFFAOYSA-N 276.380 3.871 30 20 CHED CCCCCCCCCCC(=O)Nc1cccn(C)c1=O 733957904 FPIMEHOMIWXTEH-UHFFFAOYSA-N 292.423 3.855 30 20 CHED C=CC[C@H](NC(=O)N(C)Cc1ccccc1)c1ccncc1 734683173 JNUHGZIOCVMLCT-KRWDZBQOSA-N 295.386 3.540 30 20 CHED C[C@@H](C(=O)OCc1ccc(C#N)cc1F)c1cccs1 738793803 WPQKQQZXGDJJNG-SNVBAGLBSA-N 289.331 3.606 30 20 CHED Cc1cccc(C)c1CON=Cc1c(C)nc2sccn12 742358919 BHBJPZFWSJJLSL-UHFFFAOYSA-N 299.399 3.872 30 20 CHED CN(C)c1ccc(CNc2cccc(Cl)c2C#N)cc1 743303423 CNXCBVMXTWPTHW-UHFFFAOYSA-N 285.778 3.890 30 20 CHED CCc1ccc(C(C)=NNc2ccc(C(=O)O)cc2)s1 744515875 BPUUDCHTEULBPU-UHFFFAOYSA-N 288.372 3.845 30 20 CHED CC[C@H](/N=C\c1cc(Cl)ccc1O)C1CCOCC1 746394798 RMGSPPZFGLMDJQ-XGHPXPSOSA-N 281.783 3.670 30 20 CHED CCN(C)c1ccc(C(C)=NNc2cccc(C#N)c2)cc1 748076576 RMSMOPDKFSVJSV-UHFFFAOYSA-N 292.386 3.850 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](C(C)(C)C)C2)cc1 753589528 IUVQCSNMPYSMIM-GOEBONIOSA-N 286.419 3.845 30 20 CHED CCOc1cccc(/C=C/C(=O)c2ccccc2O)c1 757472938 AXLIWPXEBGVOAS-ZHACJKMWSA-N 268.312 3.687 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(F)c(F)c1 759011389 QRYYVKGJMPPCDF-UHFFFAOYSA-N 266.287 3.776 30 20 CHED N#C[C@H](C(=O)C1=CCCC1)c1nc2cc(F)ccc2s1 761166156 JSPOUYDDGLADAK-LLVKDONJSA-N 286.331 3.722 30 20 CHED C=CCCC(=O)COC(=O)c1csc2ccccc12 761371546 VAIXLMJSIAHPSZ-UHFFFAOYSA-N 274.341 3.593 30 20 CHED C#CCOc1cccc(-c2noc(-c3cscc3C)n2)c1 761784850 JJPKBYGPFYYWNP-UHFFFAOYSA-N 296.351 3.786 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc2ncccc2c1 761883997 BRCWBADRBLOGSI-UHFFFAOYSA-N 295.317 3.829 30 20 CHED COc1cc(F)ccc1NN=Cc1ccc(F)cc1F 761885697 WRELRRMHBAGUNX-UHFFFAOYSA-N 280.249 3.559 30 20 CHED Cc1ccc(C=NNc2ncnc3ccsc23)s1 764839853 ALNYXSFWQBYWMP-UHFFFAOYSA-N 274.374 3.507 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OCC(=C)Cl)cc1 766232830 HXBOHFHUNSXDIZ-AWEZNQCLSA-N 277.795 3.882 30 20 CHED C#CCC(C)(C)C(=O)N1CC2(CCC2)c2c(F)cccc21 767070877 DHRAGWXGALCSDL-UHFFFAOYSA-N 285.362 3.644 30 20 CHED Cc1cc(C)cc(C(=O)OC[C@@H](C#N)Cc2cccs2)c1 767144896 PKRHAJXUFGSDRE-CQSZACIVSA-N 299.395 3.904 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](C)Oc1cccc2ccccc12 768001995 OUQJFLMBHTYKSX-GOEBONIOSA-N 295.382 3.525 30 20 CHED CC(=O)c1ccc(C(=O)OCCCCC(C)(C)C#N)s1 768414144 FHIKTDMYLIDOCC-UHFFFAOYSA-N 293.388 3.828 30 20 CHED Cc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1O 768537191 NUXUWRBIOROZBZ-UHFFFAOYSA-N 275.348 3.578 30 20 CHED C#CC[C@H](NCCc1ccccc1F)c1ccccc1 769536702 BZVZESWEKNVQBT-SFHVURJKSA-N 267.347 3.722 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H]1CCO[C@@H](C)C1 769734706 DOJRBEJAWZEGBG-JKSUJKDBSA-N 298.471 3.946 30 20 CHED CCn1nc(/C=C2/Cc3ccccc3C2=O)c2ccccc21 769741603 FOKNQKVBOSAKQS-OWBHPGMISA-N 288.350 3.879 30 20 CHED CC1(C)CCCC1=NNc1ccnc(Br)c1 769803073 LYIGYTOYACGCFG-UHFFFAOYSA-N 282.185 3.822 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccc(F)c([N+](=O)[O-])c1 769822831 SGURQANINJTBPG-WDEREUQCSA-N 279.315 3.958 30 20 CHED C=CCN(C(=S)N[C@@H](CC)c1cccs1)C1CC1 771547782 KEOUJCIZOXQCKL-LBPRGKRZSA-N 280.462 3.724 30 20 CHED Cc1cnc(CSc2ccc(C#N)cc2F)s1 771550422 IXQSYRCXPHRAGF-UHFFFAOYSA-N 264.350 3.755 30 20 CHED C=C(C)COc1cccc(NC(=O)C2(F)CCCC2)c1 772012799 LDDYOMMUOODEFK-UHFFFAOYSA-N 277.339 3.862 30 20 CHED C=CCCC(=O)O[C@@H](CC)c1cc(C)ccc1OC 772499427 IVPHEDDLZRXBAK-AWEZNQCLSA-N 262.349 3.964 30 20 CHED CSc1ccc(C=NNc2nccnc2C(C)C)cc1 773078822 ONSNBJHPEZUNHO-UHFFFAOYSA-N 286.404 3.768 30 20 CHED C=C(Cl)CNC(=O)N(CC)C[C@H](CC)c1ccccc1 773309523 WLIGDULTFOXLNT-AWEZNQCLSA-N 294.826 3.964 30 20 CHED C=C(CC)COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 773437520 WUOXTMAZZPLLQO-NSHDSACASA-N 295.360 3.585 30 20 CHED C=C(Cl)C[S@@](=O)Cc1cccc(Cl)c1Cl 773715229 DPYIHBCSIJLRLC-OAHLLOKOSA-N 283.607 3.995 30 20 CHED c1ccc([C@H]2CCCC2=NOC2CCOCC2)cc1 774450867 MCWWXLIWRIQMNU-OAHLLOKOSA-N 259.349 3.506 30 20 CHED O=C(/C=C/c1ccc(OC(F)F)c(F)c1)c1cscn1 776192373 JGNKMLJICUGWDC-HNQUOIGGSA-N 299.273 3.780 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1cncc(F)c1 777449442 VOYTYAOPEUSVKT-SFHVURJKSA-N 299.393 3.802 30 20 CHED C#CCCNc1cc(Cl)ccc1OC[C@@H]1CCCCO1 777623179 GYFNFMQCXGMHEW-AWEZNQCLSA-N 293.794 3.723 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1ccc2nc(O)[nH]c2c1 777914882 DKALZFUDPPICLM-QPJJXVBHSA-N 296.301 3.612 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1F 777919041 QEMWRGJFJPLVNU-HWKANZROSA-N 291.303 4.000 30 20 CHED C[C@@H]1CC(=NN=c2cc[nH]cc2)C[C@@H](c2ccccc2)C1 779808093 CJXOXJBNRQMTLF-HOCLYGCPSA-N 279.387 3.875 30 20 CHED FC(F)(F)c1cc(C=NN=c2cc[nH]cc2)ccc1Cl 779812013 WEEWOCMDOGXLGC-UHFFFAOYSA-N 299.683 3.622 30 20 CHED C#CCCCCCC(=O)N(C)c1ccc(OC)c(Cl)c1 779980578 LQXOZDPTPKWBSU-UHFFFAOYSA-N 293.794 3.895 30 20 CHED CCO[C@@H]1CC(=NN[C@H]2CCOC(C)(C)C2)C1(CC)CC 780249687 HCCTXWYVZFEBCT-DZGCQCFKSA-N 296.455 3.505 30 20 CHED C[C@H]1C[C@@H]1C=NOCc1ccc(F)cc1Br 780282065 BFEGUDSFASMFSU-WCBMZHEXSA-N 286.144 3.747 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)O)cs1)C2 782200255 KWGVXJGNCNOYQQ-WDZFZDKYSA-N 284.336 3.577 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)[C@H]1CCCCS1 783347784 OHCVVEDXXPHOER-OAHLLOKOSA-N 292.400 3.615 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2nc(O)c3ccccc3n2)C1 783854812 CJDCAWCXIRUWRV-CHWSQXEVSA-N 298.390 3.950 30 20 CHED C[C@@H]1c2ccc(Cl)n2CCN1Cc1cccc(C#N)c1 787652324 MCMDQSRTJCHPFC-GFCCVEGCSA-N 285.778 3.590 30 20 CHED C=CCC(CC=C)C(=O)NN1CCC(C(C)(C)C)CC1 788171798 GJEGBTUQYRSZHR-UHFFFAOYSA-N 278.440 3.544 30 20 CHED CC(C)C(C=NNc1ccc(C(F)(F)F)nn1)C(C)C 789033514 IVBGLXNSQHSKIB-UHFFFAOYSA-N 288.317 3.821 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccnc(Cl)c3)cn2c1 789147242 GTVBQLKHCSPKMH-ONEGZZNKSA-N 297.745 3.587 30 20 CHED CCCCOc1ccc(C(=O)/C=C/c2ccnn2CC)cc1 789157968 SNYRGLQXGVJOMT-DHZHZOJOSA-N 298.386 3.978 30 20 CHED Cc1cc(C(=O)/C=C/c2csc3ccccc23)n(C)n1 789159955 RTKZWNHUITXAFO-BQYQJAHWSA-N 282.368 3.839 30 20 CHED C#C[C@H](CCC)NC(=O)CCCCc1ccc(C)cc1 791201449 AHOFCMNYVYPDNQ-QGZVFWFLSA-N 271.404 3.626 30 20 CHED C[C@H](C(=O)[C@H](C#N)c1cnc2ccccc2n1)C1CCCC1 792111098 WACZAOCYEIDGCV-GXTWGEPZSA-N 293.370 3.632 30 20 CHED CC(=NNCCC(F)(F)F)c1cc(C)cc(C)c1 794545231 JHVJDBAFXQNNLG-UHFFFAOYSA-N 258.287 3.569 30 20 CHED Fc1ccc(/C=C/C=Nn2cnc3ccccc32)cc1F 794889376 SBWGQVCXMGZTSK-PQXRUWMISA-N 283.281 3.862 30 20 CHED Fc1cccnc1NN=Cc1csc2ccccc12 794985232 UFPRZEZAOMIRAF-UHFFFAOYSA-N 271.320 3.881 30 20 CHED CCCCCCCCN1CCC[C@@H]1c1nc(C)no1 796691012 CMARUTZBUSHNNI-CQSZACIVSA-N 265.401 3.875 30 20 CHED Cc1oc(C#N)cc1C(=O)OC[C@@H]1CCCc2ccccc21 797885159 LRFSLIFAGDSZJX-AWEZNQCLSA-N 295.338 3.737 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccc(C(C)(C)C)nc1 797964866 QYYCSSOTLVGHEP-UHFFFAOYSA-N 298.342 3.509 30 20 CHED C#Cc1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1 798150786 IUKOMWJAXWYURU-UHFFFAOYSA-N 278.355 3.613 30 20 CHED Cn1cnc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)c1 798232263 PTPHUWHRHRKJPX-KTKRTIGZSA-N 268.360 3.614 30 20 CHED CCOc1cccc(C=NOCc2ccccc2OC)c1 799118653 ORGVVUXPFKSDQG-UHFFFAOYSA-N 285.343 3.645 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](c2ccccn2)C1 799192873 ILPWHXOSVMWGOD-RHSMWYFYSA-N 277.371 3.504 30 20 CHED CC(=NNc1cccc2ccccc12)c1cnoc1C 799479648 ZKSNZYAWNLXMEL-UHFFFAOYSA-N 265.316 3.972 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(F)c2)ccc1C#N 799494455 BSUDXLATFJFVNB-SOFGYWHQSA-N 281.286 3.602 30 20 CHED C[C@@H]1CC[C@@H](C=NNc2cccc(F)c2[N+](=O)[O-])C1 800817938 ZXFLSMGGHTXZBN-NXEZZACHSA-N 265.288 3.568 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(Cl)n1 800869793 DRLKMSXMIBVNFN-ZDUSSCGKSA-N 269.735 3.706 30 20 CHED Cc1ccc(Oc2nc(Cl)c(C#N)s2)c(Cl)n1 804624517 YVJANEUMYQKMPN-UHFFFAOYSA-N 286.143 3.817 30 20 CHED C=CCCCCCCNC(=O)c1c(OC)cccc1OC 805218913 PCLUQGMAFGKLDL-UHFFFAOYSA-N 291.391 3.570 30 20 CHED C=CCCCCCCNC(=O)c1ccnc(SC)c1 805220048 FDBKKJFESABAON-UHFFFAOYSA-N 278.421 3.670 30 20 CHED Cc1cc(C(=O)/C=C\c2ncc(C(C)(C)C)s2)no1 806556171 OYXZQSRKSSFBGY-WAYWQWQTSA-N 276.361 3.633 30 20 CHED C#CCCCCNC(=O)Nc1c(C)cc(OC)c(C)c1C 806769503 JKOOVUOXYRSRHP-UHFFFAOYSA-N 288.391 3.545 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C1CCC(C)(C)C1 807990618 AZRDLONGJCRCLV-UHFFFAOYSA-N 261.325 3.881 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@H]1c1ccccc1)C(C)(C)C 808316057 PDQDVBGENQKQJD-HOTGVXAUSA-N 284.403 3.581 30 20 CHED CCCCCCCCNCc1cnc(C2OCCO2)s1 809601419 ABSAESADXFJGLY-UHFFFAOYSA-N 298.452 3.639 30 20 CHED C#CCOc1ccc(CNc2cc(C3CC3)ccn2)cc1 810176201 VWXQDOJRRGWTDE-UHFFFAOYSA-N 278.355 3.583 30 20 CHED N#CC1(COC(=O)CCCc2ccccc2Cl)CC1 810876883 OEJOKOFSIOGJPN-UHFFFAOYSA-N 277.751 3.510 30 20 CHED C=CCCCCOC(=O)[C@H](c1cccnc1)C(C)C 811011246 PJYGQXCTZOCGDG-HNNXBMFYSA-N 261.365 3.721 30 20 CHED C[C@@H](C=NNC[C@@H]1CCSC1)CCc1ccccc1 811659893 APXIINCUZYIPBZ-ZBFHGGJFSA-N 276.449 3.584 30 20 CHED Cc1nc(Nc2cccc(N3CCCCC3)c2)ccc1C#N 813587710 OZECDJGIPOZMPT-UHFFFAOYSA-N 292.386 3.996 30 20 CHED CC(C)OC1CC(=NNc2ccc3ccccc3n2)C1 814697723 ZVXHPQJISYOKPX-UHFFFAOYSA-N 269.348 3.590 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(Cl)o1 814822837 GJWQNNAUQWWDOV-UHFFFAOYSA-N 279.683 3.596 30 20 CHED CC(C)c1cnc(C=NNCCC(C)(C)C)s1 814901245 FQQWRGHDNXYRBX-UHFFFAOYSA-N 253.415 3.626 30 20 CHED CC(=NNC1CC1)c1sc(Cc2ccccc2)nc1C 814903188 WUPYCAPDYZFWPI-UHFFFAOYSA-N 285.416 3.518 30 20 CHED CO[C@@](C)(C=NN1CCC(C(C)(C)C)CC1)C1CC1 814913604 RCLQVQFSQNMRSN-INIZCTEOSA-N 266.429 3.545 30 20 CHED C#CC(C)(C)N(C)Cc1ccc(C(C)C)nc1CC 815101958 DMQPNJZRKPDTFS-UHFFFAOYSA-N 258.409 3.611 30 20 CHED CC1(C)CCc2cc(CN[C@@H]3CC[C@H](C#N)C3)ccc2O1 818231386 UUKKLLZVWOINBE-XJKSGUPXSA-N 284.403 3.572 30 20 CHED C/C=C\C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 819739314 XZWXIQFMQIINNN-USEMIUTHSA-N 296.292 3.522 30 20 CHED COc1ccc(C(C)=NN[C@H](C)C(F)(F)F)c(Cl)c1 819814107 WVXBNUFIDBVOKX-MRVPVSSYSA-N 294.704 3.613 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC(C)(C#N)CC1 821793097 TWRDDLMJUCBOCW-QGZVFWFLSA-N 298.430 3.716 30 20 CHED CCCCN(CCCC)C(=O)c1cc(C#N)ccc1F 821941185 XSJRUXLDNUEOQJ-UHFFFAOYSA-N 276.355 3.740 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 822815516 JBHACDMDBMNVKI-QRTARXTBSA-N 287.403 3.517 30 20 CHED COc1cc(C#N)ccc1OC[C@]1(C)CC1(Cl)Cl 828407832 KLMLXZFHLGGJKA-LBPRGKRZSA-N 286.158 3.530 30 20 CHED C#CCCc1noc([C@H]2CCC[C@H]2c2ccccc2)n1 834585235 KJNYNBVVOXTVOC-GJZGRUSLSA-N 266.344 3.687 30 20 CHED CC(=NNC(=S)Nc1ccccn1)[C@@H]1CCCC[C@@H]1C 834966103 YIIURPMBWFLMQL-WCQYABFASA-N 290.436 3.570 30 20 CHED COc1ccc(C=NN[C@H]2CCc3c(F)cccc32)s1 835019566 CPELQKQNSAYVCO-AWEZNQCLSA-N 290.363 3.507 30 20 CHED C[C@@]1(C(=O)OCC2(C#N)CCCCC2)CC=CCC1 835282597 UNFWNOFBOYHZHW-OAHLLOKOSA-N 261.365 3.750 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cccc(Cl)c2F)C1 839051361 DJYKEHOMDKPZKH-UWVGGRQHSA-N 281.714 3.718 30 20 CHED CC(C)[C@@H](C)C(=O)OCCC1(C#N)CCCCC1 840233577 ZYMNUXWOHAHFJK-CYBMUJFWSA-N 251.370 3.686 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1nc(Cl)c(C#N)s1 841225294 MOTILBAAPQPDBA-QMMMGPOBSA-N 297.811 3.823 30 20 CHED N#CCOc1cccc(OC(=O)/C=C\C2CCCCC2)c1 841345550 JQCOZHXOJMKJIR-KTKRTIGZSA-N 285.343 3.631 30 20 CHED CCc1nn(C)cc1/C=C1\Sc2cc(C)ccc2C1=O 841486220 CBKWMSOYUOSTPV-NVNXTCNLSA-N 284.384 3.620 30 20 CHED COCCCNN=C1CC[C@@H](c2cccc(Cl)c2)C1 841636435 MXIHAQHNENUKJQ-CYBMUJFWSA-N 280.799 3.590 30 20 CHED C[C@H](COC(=O)C[C@H](CC#N)c1ccccc1)CC(F)F 842444264 QWZZPWHKUGAHPR-JSGCOSHPSA-N 295.329 3.908 30 20 CHED CCN(CCO)N=C(CC(C)(C)C)c1ccc(Cl)cc1 842534666 CPUFIDAGKVBIFX-UHFFFAOYSA-N 296.842 3.795 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc3c(c2)CCCC3)no1 844549588 GRBBBONTRSBAOQ-VQHVLOKHSA-N 267.328 3.758 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CCCCCCC1 846762152 FYGVCSSWDMWFHX-HNNXBMFYSA-N 298.430 3.966 30 20 CHED CSc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(C)o1 851083378 ITYOIENZLLUBOP-MNOVXSKESA-N 279.361 3.549 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1cccc(C2CC2)c1 851204460 ABHJOFZVCNZZJQ-CYBMUJFWSA-N 285.387 3.978 30 20 CHED C=CCCCCCCCNC(=O)N(C)CC1=CCSC1 852344178 NKCIHHIRKXBXNM-UHFFFAOYSA-N 296.480 3.828 30 20 CHED FC(F)(F)c1ccc(NN=CC2CCSCC2)nc1 853262966 QWFNPUAHWBAQAZ-UHFFFAOYSA-N 289.326 3.641 30 20 CHED COc1ccc(C[C@@H](C)C=NOCC2CCC2)cc1F 853439612 NDWMMJCZBFTOSG-GFCCVEGCSA-N 279.355 3.815 30 20 CHED CN(C(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(C#N)c(Cl)c1 876167573 TYJUUJRJDQYOHK-CHWSQXEVSA-N 288.778 3.611 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C)c(N2CCCC2)c1 881004013 JVIJFITWZUMEET-UHFFFAOYSA-N 299.418 3.520 30 20 CHED C=CCC1(O)CCN(C/C=C\c2ccc(Cl)cc2)CC1 886776463 HGPPHUGABCWING-ARJAWSKDSA-N 291.822 3.756 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1Cc2ccccc2[C@@H]1CC 890615827 QUMRNAJLADWVKG-FUHWJXTLSA-N 287.403 3.709 30 20 CHED C#Cc1ccc(NC(=O)Cc2csc(C(C)(C)C)n2)cc1 891314125 JYSBTJKNZPRUFT-UHFFFAOYSA-N 298.411 3.603 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C)nc2C2CC2)s1 899343278 RPJNNUCCNAFFBI-SREVYHEPSA-N 272.373 3.564 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(Cl)cn2)cnn1C(C)C 901496700 YVMDAMPGRUYCBZ-VOTSOKGWSA-N 289.766 3.717 30 20 CHED CC[C@H](NCC1(C#N)CCC1)c1ccc2c(c1)CCCO2 903033282 RZCZGIQEFMYOJW-INIZCTEOSA-N 284.403 3.746 30 20 CHED C=CCN(C(=O)c1cc(-c2ccc(C)cc2)no1)C(C)C 915155230 JYBBFJNIIAHBEO-UHFFFAOYSA-N 284.359 3.687 30 20 CHED CCOc1ccc(O)c(C=Nc2ccc(F)c(F)c2)c1 920942514 HPUMLKUJJNBNPF-UHFFFAOYSA-N 277.270 3.820 30 20 CHED N#CC1(CCCCN[C@@H](CCO)c2ccccc2)CCC1 930190094 GDNFELVXYSVRDW-KRWDZBQOSA-N 286.419 3.564 30 20 CHED N#C[C@@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1 932158874 QTWHQHJBKHXXFL-LBPRGKRZSA-N 282.359 3.737 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(Cl)ncc1F 933341849 UYXAYYKGVFPSKD-UHFFFAOYSA-N 284.762 3.693 30 20 CHED C[C@@H](OC(=O)CC#Cc1ccccc1)c1ccc(F)cc1 1116275611 WGBGINMNNKGNFS-CQSZACIVSA-N 282.314 3.872 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(Br)cc(C)c1C 1118479740 PRJUEPDYQMFAGR-LLVKDONJSA-N 296.164 3.525 30 20 CHED C=CCC[C@H]1CCCN1C(=O)C[C@@H](C)C(=O)c1ccccc1 1120734344 XPNHHYQZGKRFBY-WBVHZDCISA-N 299.414 3.853 30 20 CHED N#CCc1cccc(NC(=O)c2ccc3ccncc3c2)c1 1154599195 ZSSNYZFXXPSOLD-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CCC[C@@H](C)CC(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1164584707 OLPLBIFMBSSBKW-SNVBAGLBSA-N 284.363 3.508 30 20 CHED CCC1(NC(=O)Nc2ccc(C#N)cc2)CCCCC1 1184768716 JIJATLOHSCISNS-UHFFFAOYSA-N 271.364 3.793 30 20 CHED N#Cc1c(F)cccc1CN1CC[C@@H]1c1ccc(F)cc1 1207723578 LYRRSKFCBZIVIT-QGZVFWFLSA-N 284.309 3.783 30 20 CHED C=C[C@@H](COC)NC(=S)Nc1ccc(CCCC)cc1 1255007913 LXQWOCFJPFDANW-AWEZNQCLSA-N 292.448 3.517 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)[C@H]1CCCC[C@H]1C 1307687299 YXPQQNLRCCWCLR-PBHICJAKSA-N 286.419 3.967 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C\c1cccc(O)c1)C2=O 1317752747 QSCBSQDOIPUHJU-ZECSTPGPSA-N 280.323 3.790 30 20 CHED COc1ccc2cc(C(=O)N(CCC#N)C(C)C)ccc2c1 1318167309 OGGIBNCBGFUKBB-UHFFFAOYSA-N 296.370 3.613 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)c(OC)c1)C2 1319574552 ZSYKMOVIFQJCPL-NTUHNPAUSA-N 298.313 3.665 30 20 CHED Fc1ccc(CCC=NNc2cnc3ccccc3n2)cc1 1321324187 DWFCKZKOACDKFF-UHFFFAOYSA-N 294.333 3.799 30 20 CHED Clc1ccccc1NN=C1CCOC2(CCC2)C1 1324601978 QNWDGHMOHZLRKX-UHFFFAOYSA-N 264.756 3.841 30 20 CHED CC[C@H](Nc1ccc(OCC#N)cc1)c1ccncc1 1324602658 WPHUWCAQOWORHS-INIZCTEOSA-N 267.332 3.547 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1nc(C2CC2)cs1 1325215853 CTFRXOXBZLOCSR-UHFFFAOYSA-N 298.367 3.558 30 20 CHED C=CCCCCCNc1ccc(C(=O)NC)cc1C 1326591536 AYROBXLABYIELR-UHFFFAOYSA-N 260.381 3.513 30 20 CHED C=CCC1(C(=O)OCc2ncoc2C(C)C)CCCC1 1328202002 NDUNPPBOKKNCCB-UHFFFAOYSA-N 277.364 3.978 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C#N)C1CCCC1)c1ccccc1 1331552465 NBAWDMJCZTUWQM-WMLDXEAASA-N 282.387 3.545 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCCOc1ccccc1 1333555795 RDMRWKXKFRXPBE-HNNXBMFYSA-N 274.408 3.764 30 20 CHED C=C1CN(C(=O)Nc2ccc(C)c(Cl)c2Cl)C1 1334927174 YNOKBRVIRARTFA-UHFFFAOYSA-N 271.147 3.706 30 20 CHED C[C@H](C(=O)O[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 1343385127 IURLIUJILWNQAJ-WDMOLILDSA-N 277.751 3.679 30 20 CHED COc1ccc(C(=O)OC[C@H](C)C#N)cc1-c1ccccc1 1344005953 SXWOYAWIVDNHPA-CYBMUJFWSA-N 295.338 3.679 30 20 CHED N#Cc1cccc(-c2nnc(C3CC4(CCC4)C3)o2)c1 1349986709 QSSNYSCKIBFYTA-UHFFFAOYSA-N 265.316 3.656 30 20 CHED N#Cc1ccccc1N(C(=O)c1cccs1)C1CCC1 1350241429 HHGYZHSAGGVQRT-UHFFFAOYSA-N 282.368 3.819 30 20 CHED C=CCC[C@@H]1CCCN1c1ccnc(-c2nccs2)n1 1354300818 HRVXBEFBLNUOKT-GFCCVEGCSA-N 286.404 3.535 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1ccc(C(C)C)cc1 1355087853 FITRBNXVYBCYQQ-OAHLLOKOSA-N 258.365 3.574 30 20 CHED N#Cc1cc(Cl)ccc1SC[C@@H]1CCCCO1 1458971324 VCHGCJYPBSFWBA-LBPRGKRZSA-N 267.781 3.873 30 20 CHED Cc1ccc(N(C)CCOc2cccc(C#N)c2)c(F)c1 1460238639 FRXSKNLBVZYSFP-UHFFFAOYSA-N 284.334 3.521 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1461915932 BGTDUXGQGIVQTE-NSHDSACASA-N 298.390 3.835 30 20 CHED CSc1ccccc1N(C)C(=O)c1cccc(CC#N)c1 1514527824 NCNMWDPFTOVPDW-UHFFFAOYSA-N 296.395 3.751 30 20 CHED C=C[C@@H](OC(=O)c1nccc2occc12)C(C)(C)C 1525423756 QCZHINWYXAYELQ-GFCCVEGCSA-N 259.305 3.585 30 20 CHED Cc1cc(C)nc(SCCc2ccc(C#N)cc2)c1 1559399064 VMXDCGGZKJWHOE-UHFFFAOYSA-N 268.385 3.905 30 20 CHED CCc1ccc2c(c1)CCN(Cc1ccc(C#N)s1)C2 1560238482 PLYUHEDLAVWMPW-UHFFFAOYSA-N 282.412 3.740 30 20 CHED C[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccsc1 1587608868 CFLUTDRJINBNBB-LLVKDONJSA-N 270.357 3.556 30 20 CHED CC(CCC(=O)O)=NNc1cc(C)c2ccc(C)c(C)c2n1 1604129934 ITBXXSLVAICGOZ-UHFFFAOYSA-N 299.374 3.813 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2ccccc2Cl)o1 1610824222 MZPPVWCGSUQKDY-ALCCZGGFSA-N 276.675 3.527 30 20 CHED COCCN(Cc1ccc(C#N)cc1)C[C@H](C)CC(C)C 1644524795 CQOGCWDRCVUHDY-MRXNPFEDSA-N 288.435 3.689 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)cc1C#N 1653969812 KMXUWMSANZSAHA-CYBMUJFWSA-N 293.345 3.762 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1NCCc1ccc(C#N)cc1 1654217578 BWYXOWVFPVMMHU-JKIFEVAISA-N 256.393 3.515 30 20 CHED COc1ccc(CNc2cccc(CC#N)c2)c(C)c1 1657383451 AKOAHFXODOJZJJ-UHFFFAOYSA-N 266.344 3.682 30 20 CHED COc1ccc2c(c1)C[C@@H](Nc1cc(F)cc(C#N)c1)CC2 1657816567 BZSDIFIKPQBLFR-INIZCTEOSA-N 296.345 3.675 30 20 CHED C=C(CNC(=O)N[C@H]1CCCC(C)(C)C1)c1ccccc1 1681451248 ZAYABLNATZMQLB-INIZCTEOSA-N 286.419 3.968 30 20 CHED Cc1scc(C=NNc2ccc(C(=O)O)cc2)c1C 1776012332 PAZUYJYDNUNXLJ-UHFFFAOYSA-N 274.345 3.509 30 20 CHED C=CC[C@H](CNc1cc(C(=O)O)ccn1)c1ccccc1 1776152010 ZGEGSIMAFQZCEB-OAHLLOKOSA-N 282.343 3.552 30 20 CHED C=CCN(CCCc1cccc2ccccc12)CCC(=O)O 1776179488 PIEUWCXEJVZGHM-UHFFFAOYSA-N 297.398 3.735 30 20 CHED Cc1cccc2c1CC/C(=C\c1ccc(C(=O)O)s1)C2=O 1777457382 PQOWIWUOUPECTJ-PKNBQFBNSA-N 298.363 3.967 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1)C2 11592518 WLNXGKLGUVFTLX-ZROIWOOFSA-N 250.297 3.518 30 20 CHED C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(C#N)cc1 20129736 ZOCIJOHTHNQSJU-FZKQIMNGSA-N 262.356 3.896 30 20 CHED N#Cc1ccc(CNc2ccc(F)c(Cl)c2)cc1 20314560 UKBTZXKIEBXRSU-UHFFFAOYSA-N 260.699 3.963 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)Nc1cccc(C#N)c1 43329955 DXNBBFMPGABLEX-CYBMUJFWSA-N 279.343 3.749 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1C 48438696 LBAPECQECMIOSS-JMSVASOKSA-N 271.364 3.504 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)c1ccc(C#N)cn1 48565602 YXBQGMMXTAITAK-UHFFFAOYSA-N 292.169 3.896 30 20 CHED CC(C)c1nc(CN(C)Cc2cccc(C#N)c2)cs1 48572673 NTYKTWVTBWMPED-UHFFFAOYSA-N 285.416 3.770 30 20 CHED Cc1ccc([C@H](C)NCc2cc(C#N)ccc2F)cc1 49556826 QMCCTWHIKODHBN-ZDUSSCGKSA-N 268.335 3.857 30 20 CHED Cc1ncsc1CCOc1ccc(C#N)cc1Cl 50285123 SIYLHRJZDSBODX-UHFFFAOYSA-N 278.764 3.598 30 20 CHED CC[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 68457150 KMBOQVQVQWPCMN-PELKAZGASA-N 285.174 3.720 30 20 CHED Cc1ccc(CCCC(=O)N(CCC#N)C(C)C)s1 79545956 KJUUMEUBZITBEA-UHFFFAOYSA-N 278.421 3.530 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)C[C@H]1C 92030914 CRBYLLDSJCNLPD-DGCLKSJQSA-N 271.364 3.519 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2ccccc2C#N)C1 102831019 UUJFPDMPKZBMLC-QWHCGFSZSA-N 256.349 3.713 30 20 CHED COc1cccc(/C=N\Cc2ccccc2Cl)c1O 103011936 KBCPAWBAJZWROU-YVLHZVERSA-N 275.735 3.673 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)cn1)c1ccc(C)cc1 107879310 PWOMDDGZECHABK-MRXNPFEDSA-N 280.327 3.570 30 20 CHED C=CC1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1 110360369 BUCJSTWHBBBRBO-UHFFFAOYSA-N 294.398 3.890 30 20 CHED C#CCCCCC(=O)Nc1ccc(COC(C)C)cc1 119713155 DXXTVAILQGLGQH-UHFFFAOYSA-N 273.376 3.744 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 121704693 YXNUYIAHMHGKLD-UHFFFAOYSA-N 298.386 3.742 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccn(-c2ccccc2)n1 122007361 ZUQXLTPKFQQVIB-UHFFFAOYSA-N 281.359 3.579 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(C#N)cc1 123121577 BJADJBRGOSVEAK-IAGOWNOFSA-N 299.418 3.668 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2)s1 126331770 XBJCGLGLYKYCRT-VOTSOKGWSA-N 272.325 3.651 30 20 CHED CC(C)(C#N)NC(=O)Cc1csc2ccc(Cl)cc12 128649727 WIJUPEVWOJNCFP-UHFFFAOYSA-N 292.791 3.516 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H](C=C)c2ccccc2)c1 129149803 YWCZYVQHYCDHQR-KRWDZBQOSA-N 289.378 3.991 30 20 CHED O=C1/C(=C/c2cncs2)CSc2ccccc21 129934376 RSNDOIDTZBBTSD-WEVVVXLNSA-N 259.355 3.515 30 20 CHED CC(C)(CCC#N)CNCc1cccc(Br)c1 135167216 SWVBAUABQPIKPR-UHFFFAOYSA-N 295.224 3.869 30 20 CHED Cc1ccnc(Sc2cc(F)ccc2F)c1C#N 135179283 RHVVADCDTQYKBM-UHFFFAOYSA-N 262.284 3.691 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)C(=O)CCC2 151463550 LWXBWYDNQBKYJN-UHFFFAOYSA-N 283.371 3.913 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)Cc2ccccc2Cl)CC1 154187105 CXHVKVNFFARZKA-ZDUSSCGKSA-N 291.822 3.943 30 20 CHED Cc1ccsc1CCCC(=O)Nc1sccc1C#N 154389151 XLINZUFNMVQGSL-UHFFFAOYSA-N 290.413 3.951 30 20 CHED Cc1[nH]c2ccccc2c1CC(=O)O[C@@H](C#N)C(C)(C)C 154412142 SRKHSWDVVOXNFX-HNNXBMFYSA-N 284.359 3.500 30 20 CHED C=CCCCCCN(C)Cc1noc(-c2ccsc2)n1 157460491 XQHRDLJXLVBFIE-UHFFFAOYSA-N 291.420 3.976 30 20 CHED CC1(C)C[C@H](Nc2ccc(Cl)cc2C#N)CCO1 157969508 WTPXNUGSKHFAIM-GFCCVEGCSA-N 264.756 3.581 30 20 CHED C=CCC[C@@H](NCc1ccncc1)c1ccccc1 158837633 YXQNEAPWHYULIV-QGZVFWFLSA-N 252.361 3.879 30 20 CHED CCN(Cc1cc(F)ccc1C#N)[C@@H](C)c1cccc(O)c1 160531734 DSNNNUUAUORXMP-ZDUSSCGKSA-N 298.361 3.986 30 20 CHED CCCn1nc(C)c(/C=C2/Cc3ccccc3C2=O)c1C 160688505 MDUGVDIPGVKHDG-PTNGSMBKSA-N 280.371 3.732 30 20 CHED C#CCCCN[C@H](C)c1ccc(Br)cc1 160791126 XMEPFAVUXUQACV-LLVKDONJSA-N 266.182 3.513 30 20 CHED N#Cc1ccc(NC[C@@H](O)c2cc3ccccc3s2)cc1 161048166 GJHBATIBVBAIRD-OAHLLOKOSA-N 294.379 3.918 30 20 CHED N#CCC[C@H](NC(=O)Nc1cccc(F)c1)c1ccccc1 163545190 MDMXWCKOKACXMZ-INIZCTEOSA-N 297.333 3.992 30 20 CHED C=CCCN[C@@H]1CCc2cc(Br)ccc21 168510541 UMLVKFQNTHJFIB-CYBMUJFWSA-N 266.182 3.602 30 20 CHED CCn1cc(/C=C2/COc3ccc(C(C)C)cc3C2=O)cn1 171806234 XSFNZSOXIGVACI-CHHVJCJISA-N 296.370 3.685 30 20 CHED Cc1ccsc1C(=O)N[C@H](C#N)c1ccccc1Cl 172028905 JBBIDAIVLGKSHB-GFCCVEGCSA-N 290.775 3.705 30 20 CHED CCSc1cccc(NC(=O)Cc2ccc(C#N)cc2)c1 172107017 CJSGUOJZYXGWBN-UHFFFAOYSA-N 296.395 3.851 30 20 CHED N#Cc1ccc(OCCSc2cccc(C#N)c2)cc1 177110458 DSHZXZBNSSQOOH-UHFFFAOYSA-N 280.352 3.601 30 20 CHED CCOc1cccc([C@H](C)NCc2cc(C#N)cs2)c1 177692783 IOKPPFIMXAMKMU-LBPRGKRZSA-N 286.400 3.869 30 20 CHED C=CCN1CCC(N[C@H](CC)C2CCCCC2)CC1 177913977 UXAVWYGRXODZNF-QGZVFWFLSA-N 264.457 3.585 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC(C(C)C)CC1 178574420 ZSHFLFJVZDFVHD-UHFFFAOYSA-N 285.391 3.767 30 20 CHED Cc1ccc(C[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 181237888 NMQQJBLKEOKJCQ-HNNXBMFYSA-N 284.403 3.516 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccccn1 181385238 RDDMVONQDMGBMG-ZIAGYGMSSA-N 275.396 3.529 30 20 CHED CC(C)c1ccc([C@H](C)OC(=O)C(C)(C)C#N)cc1 183239628 IVZDXZFCKCZZHD-LBPRGKRZSA-N 259.349 3.964 30 20 CHED C#CCC(C)(C)C(=O)NCCc1csc2ccccc12 185197284 PGOFRMSLIZSUBU-UHFFFAOYSA-N 285.412 3.610 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(OCC(F)(F)F)nc2)C1 185751868 GEBHTFIOGWSIKV-MNOVXSKESA-N 299.296 3.517 30 20 CHED CCC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 187157860 QRWSOKZWUOAGQM-UHFFFAOYSA-N 266.300 3.699 30 20 CHED C=CC[C@@H](C(=O)N[C@@H]1CC=CCC1)c1ccccc1 188133804 PVLQGAAGSGRPMN-HZPDHXFCSA-N 255.361 3.571 30 20 CHED C=C(C)COc1cccc(NC(=O)c2coc(C)c2)c1 189594872 LHKSMMUPOSBPKI-UHFFFAOYSA-N 271.316 3.795 30 20 CHED N#Cc1ccc(CNC2(c3ccccc3)CCC2)cc1F 192081691 ZXEGGGPLNPXOKQ-UHFFFAOYSA-N 280.346 3.866 30 20 CHED C=CCCCCCn1ccc(C(F)(F)F)cc1=O 192570624 VZBCHACIPZSHEF-UHFFFAOYSA-N 259.271 3.614 30 20 CHED C=C[C@H](CC(=O)OCc1cc(C)sn1)c1ccccc1 193497514 FTBBONITZYCVJS-CYBMUJFWSA-N 287.384 3.855 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(F)nc1F)c1ccccc1 193706382 AAASRRHJXKCSHX-NSHDSACASA-N 288.297 3.658 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2C#N)ccc1C 194588738 VYZMJGOYGLEJSS-MDZDMXLPSA-N 277.323 3.771 30 20 CHED C[C@H](CC#N)NC(=O)CCCSc1ccc(Cl)cc1 194669704 WSGXBYAWYOLRRC-LLVKDONJSA-N 296.823 3.631 30 20 CHED C[C@@H](NCc1ncc(Cl)s1)c1ccc(C#N)cc1 225307576 NIMPAMKKICFTQC-SECBINFHSA-N 277.780 3.519 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(F)cc2F)c(Cl)c1 225779146 RCWRHPKOKCBCQV-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCc1ccc(OCc2ccc(C#N)cc2F)c(OC)c1 230348499 RTKKYKXONGEPIG-UHFFFAOYSA-N 285.318 3.847 30 20 CHED CSC1(CNCc2ccc(C#N)cc2F)CCCCC1 235271913 QBXCYESHTCUQDI-UHFFFAOYSA-N 292.423 3.853 30 20 CHED C#CCOc1ccc(F)cc1NCc1cccc2cc[nH]c12 237858878 LXNWOVXDCDPLKC-UHFFFAOYSA-N 294.329 3.931 30 20 CHED Cc1ccc(C)c(-n2ccnc2SCCCC#N)c1 247853160 BJISWOPAVXKVEW-UHFFFAOYSA-N 271.389 3.885 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2C#N)cc1F 255489089 UIKLRPADDPENTL-VURMDHGXSA-N 281.286 3.602 30 20 CHED CCOCc1ccccc1C/N=C\c1ccccc1O 255759019 YVYCHCJEGSLCPV-PDGQHHTCSA-N 269.344 3.548 30 20 CHED Cc1c(C#N)cccc1N=Cc1cc2ccccc2nc1O 255777320 UROPWGMWKPWFLP-UHFFFAOYSA-N 287.322 3.871 30 20 CHED C=CCCC(=O)NCc1ccc(OC2CCCC2)cc1 263839918 SDYRYNIMFDRKNE-UHFFFAOYSA-N 273.376 3.590 30 20 CHED C=CCOCCCC(=O)N1CC[C@H]1c1ccc(Cl)cc1 266298739 LTORTVBKKFXPPV-HNNXBMFYSA-N 293.794 3.596 30 20 CHED CCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H](CC)c1ccccc1 267107793 BAOLMKHAJRNEMM-KRWDZBQOSA-N 295.386 3.890 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(C)c1ccc(C#N)cc1 269704969 QEKPBLYIEWOCKD-CYBMUJFWSA-N 270.376 3.737 30 20 CHED C=C1CCN(Cc2cnc(C(C)(C)C)s2)CC1 271182428 XRYROMSCAYKUFP-UHFFFAOYSA-N 250.411 3.593 30 20 CHED C=CCN(C(=O)Nc1ccccc1OCC(F)F)C1CC1 271493252 UTKMGTZETJFWTG-UHFFFAOYSA-N 296.317 3.513 30 20 CHED N#CCCN(Cc1cc(F)cc(Cl)c1)Cc1ccco1 275350809 ZCQGEQIVLDGNHQ-UHFFFAOYSA-N 292.741 3.988 30 20 CHED C=CCN(C)C(=O)N[C@H](CC)c1ccc(Cl)s1 275370963 YAMCVUZSQZAIMF-SECBINFHSA-N 272.801 3.680 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1OCCC 275977143 AUSOZSDVWNQHOY-UHFFFAOYSA-N 262.353 3.515 30 20 CHED C=C1CCN(C(=O)c2scc(C)c2Cl)CC1 277222989 IETNYYVDYJXXDE-UHFFFAOYSA-N 255.770 3.502 30 20 CHED C=C1CCN(C(=O)C[C@@H](C)c2c[nH]c3ccccc23)CC1 278999713 KGKQAWRFICORSO-CQSZACIVSA-N 282.387 3.840 30 20 CHED C=CCCN(C)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 279767316 JWSXECROALHCCO-CTYIDZIISA-N 292.810 3.804 30 20 CHED CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCCC1 279985231 RKGONYYVMBOYOD-UHFFFAOYSA-N 284.403 3.892 30 20 CHED C=CCN(CCc1ccco1)Cc1cn(C(C)C)nc1C 281120497 AOJXEDXEOPJCIR-UHFFFAOYSA-N 287.407 3.596 30 20 CHED C=CCCCCNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 281299366 JCEDYLOLWQQMFL-UHFFFAOYSA-N 299.418 3.604 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ncoc1-c1ccc(F)cc1 281461034 SQTFQFRLDZGOPY-CYBMUJFWSA-N 288.322 3.565 30 20 CHED C=CCCCCCN(C)C(=O)C(C)(C)c1c(C)noc1C 281699027 PMIAAINFHSGFHJ-UHFFFAOYSA-N 292.423 3.774 30 20 CHED CCc1occc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 281914440 GOIPCRMNIIOLBB-UHFFFAOYSA-N 294.354 3.518 30 20 CHED CC(C)(C#N)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 283548386 IUPZIYIQEMYJIG-BJWYYQGGSA-N 296.414 3.863 30 20 CHED C=CCCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 285699618 VUGWVNPXIFBABX-CYBMUJFWSA-N 274.191 3.583 30 20 CHED Cc1cccc(OC(F)F)c1NCCC(C)(C)C#N 288778694 WBPDNOMQJHWMIO-UHFFFAOYSA-N 268.307 3.948 30 20 CHED C=CCCCCCN(C)c1nccnc1C(F)F 288904342 ODXVJQLZODWVDZ-UHFFFAOYSA-N 255.312 3.597 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(Cl)c(O)cc1F 293842905 BEWGASBPEVXTLW-UHFFFAOYSA-N 271.719 3.726 30 20 CHED CC(C)(C#N)CC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 294142359 LPNHJRFEWDAESI-INIZCTEOSA-N 282.387 3.680 30 20 CHED Cc1cc([C@@H](C)NCc2cccc(C#N)c2)cs1 294286899 TWCNUSHSJUYJOQ-GFCCVEGCSA-N 256.374 3.779 30 20 CHED N#CCOc1ccc(CN[C@@H]2CCCC23CCCC3)cc1 294843865 SBAGRKURLJFZMU-QGZVFWFLSA-N 284.403 3.791 30 20 CHED C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1Cc1ccc(C#N)o1 295114668 MFYPDZPESGOQDK-HBNTYKKESA-N 286.297 3.703 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2CF)c1 296608283 WWUWRTUEIJBBKT-CQSZACIVSA-N 292.354 3.607 30 20 CHED CCn1ccnc1[C@@H](C)N[C@H](CCC#N)c1ccccc1 296970310 RMQNVOIZIHGUGW-GDBMZVCRSA-N 282.391 3.599 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)C2(CCF)CC2)s1 297779842 NFARTHMWVWOCJJ-UHFFFAOYSA-N 294.395 3.996 30 20 CHED CC(C)[C@@H]1CN(c2cc(Cl)ccc2C#N)CCS1 301471255 PHMYXDHRIALHQM-AWEZNQCLSA-N 280.824 3.789 30 20 CHED C[C@H](Nc1ccc2cc(C#N)ccc2n1)C1CCC1 301958395 NXKABJFVQDLNTK-NSHDSACASA-N 251.333 3.707 30 20 CHED C[C@@H](C#N)OCCSc1ccc2ccccc2c1 302313626 DCLXHBCTGTXYST-LBPRGKRZSA-N 257.358 3.861 30 20 CHED N#CC1(NC(=O)/C=C/c2ccc(Cl)cc2)CCCCC1 302372196 OCWNIAIHMTZJJA-RMKNXTFCSA-N 288.778 3.696 30 20 CHED C[C@H]1C[C@H](Nc2ccc(C#N)c(Br)c2)CS1 304303111 BNEBTZSRJUWSGI-KWQFWETISA-N 297.221 3.627 30 20 CHED Cc1nc(NCCc2cccs2)c(Cl)cc1C#N 311126013 PSAITHGRSXYYEO-UHFFFAOYSA-N 277.780 3.631 30 20 CHED Cc1cc(OCc2ccc(CO)cc2)c(C)c(C)c1C#N 313955312 AVSIVURVVUJQRJ-UHFFFAOYSA-N 281.355 3.555 30 20 CHED COc1cc(C#N)cc(OCc2ccc3ncccc3c2)c1 319995268 CYWHAIQEWXAWFA-UHFFFAOYSA-N 290.322 3.694 30 20 CHED C[C@H](C#N)/N=C(/O)c1ccccc1NC1CCCCC1 330697694 VYMHBGJKNHKUQI-GFCCVEGCSA-N 271.364 3.648 30 20 CHED COC(=O)[C@@H]1CCCC[C@]1(C)/N=C(/O)C1=CCCCC1 331253342 RKKFASKWSLZLNY-BBRMVZONSA-N 279.380 3.565 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 332178555 RSJSONLVLFBOLY-WFASDCNBSA-N 297.402 3.597 30 20 CHED Cc1c(F)cccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 334589942 FUXMAVVSARHRJK-NSHDSACASA-N 282.318 3.748 30 20 CHED CC1=C(C)CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 334724172 FIWDHOHQWDIXGH-UHFFFAOYSA-N 296.414 3.696 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC(OC2CCC2)CC1 334940843 QAPKIDXEBGJHRJ-UHFFFAOYSA-N 290.794 3.750 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C)(C)C[C@H]1C 335237271 DWEGKZBJSYCRCX-GFCCVEGCSA-N 271.364 3.519 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2ccccc2CC#N)CC1 335457969 VZCYAYHCEQZLQP-HNNXBMFYSA-N 268.360 3.828 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCCCC2(F)F)CC1 336224571 MDGIQNOORKCOAJ-IYXRBSQSSA-N 270.367 3.874 30 20 CHED CN(C(=O)C1(C#N)CCCCC1)c1nc2ccccc2s1 336373443 AGXTWXRDUQEDHI-UHFFFAOYSA-N 299.399 3.733 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccsc1 338327023 WYUGFMUMKQUYBV-JTQLQIEISA-N 260.337 3.610 30 20 CHED C=C(C)CN1CCC[C@@H]1c1ccc(Br)cn1 340285374 XZBBMRKQWRQJTM-CYBMUJFWSA-N 281.197 3.557 30 20 CHED C=CCOCCCSCc1ccc(C(F)(F)F)cn1 340618431 BOIHUKFNQMVGDU-UHFFFAOYSA-N 291.338 3.926 30 20 CHED C=CCN(C(=O)C[C@@H](C)n1nc(C)cc1C)c1ccccc1 341074162 DAPAUNRXRIWANR-MRXNPFEDSA-N 297.402 3.670 30 20 CHED N#Cc1cccc(Nc2ccc(F)c(C3CC3)c2)n1 341413196 UGWHSWWQWBRTCB-UHFFFAOYSA-N 253.280 3.713 30 20 CHED CC(C)(CCC#N)CNCc1c[nH]nc1-c1ccsc1 342290590 MWJQHMIIAZGOQL-UHFFFAOYSA-N 288.420 3.558 30 20 CHED C=CCCN(C)Cc1cc(Cl)c(OCC)c(OC)c1 343466349 JEUUGINPHSKNAG-UHFFFAOYSA-N 283.799 3.755 30 20 CHED CC(C)c1nnc(CNc2ccc(Cl)cc2C#N)s1 343888348 WCLRETROZJTBDI-UHFFFAOYSA-N 292.795 3.799 30 20 CHED C=C(CNC(=O)Nc1nc(C)c(C)s1)c1ccccc1 348399468 LSTPJYMSWJUAJL-UHFFFAOYSA-N 287.388 3.595 30 20 CHED COc1cc(F)c(F)cc1NCc1ccc(C#N)cc1F 353251046 QBAULENVWYYXJX-UHFFFAOYSA-N 292.260 3.596 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCC13CCC(CC1)C3)CC2 353261476 GYWBXDRPXSBNCC-VXVMZULRSA-N 266.388 3.715 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@]1(C)C(C)C 354098332 WFTIWDRYXIPHKC-DYVFJYSZSA-N 285.391 3.611 30 20 CHED CC(C)N(CC(F)F)C(=O)C[C@@H](CC#N)c1ccccc1 356483118 RGTJLENDRPOULK-CQSZACIVSA-N 294.345 3.576 30 20 CHED C=CCN(C(=O)CSc1ccccc1Cl)C1CC1 357525268 INPUWKPBHGUOAU-UHFFFAOYSA-N 281.808 3.609 30 20 CHED C=CCN(CCC#N)C(=O)c1cc2cc(F)ccc2s1 359403228 OTACRYWXMYPRIJ-UHFFFAOYSA-N 288.347 3.582 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)[C@@H](C)C#N 360118771 KQESXDFUAXFMQD-QMMMGPOBSA-N 268.769 3.550 30 20 CHED C=CCSCCN[C@@H]1CCCCc2cc(C#N)ccc21 360656767 KJFCWBWESODQBS-QGZVFWFLSA-N 286.444 3.835 30 20 CHED C=CC[C@H]1N(Cc2c(C)noc2C)CCCC1(C)C 361339310 ZYUALUTUNBLNNQ-OAHLLOKOSA-N 262.397 3.858 30 20 CHED N#CCCCCN1CC[C@@](F)(c2cc(F)cc(F)c2)C1 375284218 LTEODSQAIBCXCU-HNNXBMFYSA-N 282.309 3.529 30 20 CHED CC1(C)CC(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 375837811 HQAFMCFCEIAMDX-DLBZAZTESA-N 296.414 3.721 30 20 CHED N#CCCC1CCN(CCCc2ccccc2)CC1 399360298 FUWZBTBDXJZZQF-UHFFFAOYSA-N 256.393 3.635 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1cnc(C#N)c(Cl)c1 411029464 HZLNGDDCFOOANL-JTQLQIEISA-N 291.782 3.762 30 20 CHED Cc1ccc(CSCCC#N)c(Br)c1 413020874 XHCLORJPIUKEGN-UHFFFAOYSA-N 270.195 3.904 30 20 CHED CCc1ncnc(N[C@H]2CCCc3cc(C#N)ccc32)c1F 419012803 GGIIEYRPDRCNAN-HNNXBMFYSA-N 296.349 3.539 30 20 CHED N#Cc1c(F)cccc1CSCCOCC1CCC1 419644871 MPLNYHOJLJOQRF-UHFFFAOYSA-N 279.380 3.747 30 20 CHED N#Cc1csc(CN[C@@H]2CCC[C@H](C3CC3)C2)c1 424199583 FMEJCOSUJVOWQJ-UONOGXRCSA-N 260.406 3.678 30 20 CHED C=CCn1cc(CN[C@H](C)c2cccc(CC(C)C)c2)nn1 424300241 XDXSMJGNFVUXOD-OAHLLOKOSA-N 298.434 3.513 30 20 CHED C=C(C)C(C)(C)c1nc([C@H](C)c2nccs2)no1 424354714 NTJJRTYCFDTDDB-VIFPVBQESA-N 263.366 3.532 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@H](C)C(F)(F)F 425671961 JLTAIWIEHGYVRJ-SNVBAGLBSA-N 286.297 3.878 30 20 CHED Cc1ccc(C(C)(C)CN[C@H]2CC[C@H](C#N)C2)c(C)c1 426306216 FMMBSJUSCRGBHK-HOTGVXAUSA-N 270.420 3.863 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(F)c(F)c(F)c1 426581769 WBXNDQGCTBHINA-LLVKDONJSA-N 255.283 3.644 30 20 CHED C=C(C)COc1cccc(NC(=O)c2ncccc2C)c1 426722604 IEKGIGFPHXEGLA-UHFFFAOYSA-N 282.343 3.597 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)c1c(F)cccc1Cl 426905045 MZUOOEJJEPLQNS-SECBINFHSA-N 275.714 3.919 30 20 CHED N#Cc1c(F)cccc1COc1cc(F)cc(F)c1 427523911 WMBOIGOWXMOOBX-UHFFFAOYSA-N 263.218 3.555 30 20 CHED COc1cc(CN2CC3(CCC3)[C@@H]2C(C)C)ccc1C#N 430098898 KOXIVAGCMRDLAO-KRWDZBQOSA-N 284.403 3.577 30 20 CHED C=CCC[C@H](CCC)N[C@H]1Cc2cccc(O)c2C1 433042549 ZBIMIFCZJGNSGF-GJZGRUSLSA-N 259.393 3.584 30 20 CHED CCc1cncc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1 434559149 NCQZYMKRLORXQK-CYBMUJFWSA-N 299.399 3.714 30 20 CHED CCSc1cccc(NC(=O)c2cc(C#N)oc2C)c1 435461906 DYTDTGRLWDWEHX-UHFFFAOYSA-N 286.356 3.824 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)SCCC(C)(C)C 437911281 AXMVWKRGPQCNLN-CYBMUJFWSA-N 271.470 3.969 30 20 CHED C=CCC[C@H](NCCCN1CCCC[C@@H]1C)C1CC1 439084509 LBCCTKVNHJGLLQ-RDJZCZTQSA-N 264.457 3.585 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@H]1Cc1ccccc1 442672914 JUQLFCDOAUEYAP-BEFAXECRSA-N 276.383 3.936 30 20 CHED CC(C)(CN[C@H]1CC[C@H](C#N)C1)c1ccccc1Cl 442776658 HPUJXWYXQZMDLZ-STQMWFEESA-N 276.811 3.899 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(F)cc2OCC(F)F)C1 442825476 MVKGWFOMFNNWRM-ONGXEEELSA-N 284.281 3.574 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cccc(NC(=O)c3ccoc3)c2)C1 442867511 YLUCEHCHLWLCJH-WBMJQRKESA-N 295.342 3.636 30 20 CHED COCCCC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 442867999 BIGWSTHQLDMBCL-NJAFHUGGSA-N 286.419 3.826 30 20 CHED CCOc1ccccc1OCc1ccc(C#N)c(C)c1 447317537 DXFABRVFTBIRSK-UHFFFAOYSA-N 267.328 3.844 30 20 CHED N#Cc1ccc(NCC#Cc2cccc(Cl)c2)cc1 448106859 GOSJPBPFHKSUCP-UHFFFAOYSA-N 266.731 3.675 30 20 CHED C=CCSCCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 448817694 FRXDFCQIHTYYCT-JKSUJKDBSA-N 289.444 3.606 30 20 CHED CC1(C#N)CCC(NCc2ccccc2Cl)CC1 449064441 UXJFDUGBNCSHHQ-UHFFFAOYSA-N 262.784 3.902 30 20 CHED C=CCCCCCN(C)C(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C 449916882 SJUCCIMDRSSBJE-KBXCAEBGSA-N 291.435 3.587 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ncccc1SCC 450423664 JGSGJYLVHDLACO-GFCCVEGCSA-N 278.421 3.668 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1c1cc(C#N)ccn1 450917835 YKDWNRDCBOKDMT-MRXNPFEDSA-N 281.334 3.742 30 20 CHED C[C@H](NC(=O)[C@@]1(C#N)C[C@H]1C)c1ccc(F)c2ccccc12 451788113 NZNMKHOUIWBIDP-FTLABTOESA-N 296.345 3.706 30 20 CHED N#CCc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c(Cl)c1 452652180 XXNMDQMKPPEYAV-RWMBFGLXSA-N 286.762 3.557 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(SCC)cc1 453366402 QXYPYABONYFZGB-MAZHCROVSA-N 277.433 3.793 30 20 CHED C=CCC[C@@H](CO)N[C@@H]1CCSc2c(Cl)cccc21 453370625 UJGMRTWWYUEVTL-SMDDNHRTSA-N 297.851 3.794 30 20 CHED C=C(C)CCNC(=O)Nc1ccc2cnn(C(C)C)c2c1 454627443 GEFKYUKIOLIGKM-UHFFFAOYSA-N 286.379 3.705 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@@H](c2cccc(F)c2)C1 455373692 WSLLCWCPYFESCQ-CQSZACIVSA-N 290.382 3.537 30 20 CHED C=CC(C)(C)CNC(=O)N(C)Cc1ccc(C)c(C)c1 455383929 LISGZMFUWUCIAE-UHFFFAOYSA-N 274.408 3.657 30 20 CHED CCOc1ccc(Cl)c(NC(=O)C2(C#N)CCCC2)c1 456049192 POXQRFWVCRMHFJ-UHFFFAOYSA-N 292.766 3.761 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1 456279990 MMUQAUZFFNPONL-QZTJIDSGSA-N 297.398 3.512 30 20 CHED C[C@H](Cc1cccc(Cl)c1)C(=O)NCC(C)(C)CC#N 457990902 IDVBXAWPNSXLHE-GFCCVEGCSA-N 292.810 3.575 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)NCC(C)(C)CC#N 458707214 NZIGDOZPXLZLIG-ZDUSSCGKSA-N 279.428 3.584 30 20 CHED CC(C)(CC#N)CNC1CC(c2cc(F)cc(F)c2)C1 459728282 IMBJAFMUIWRRHR-UHFFFAOYSA-N 278.346 3.740 30 20 CHED CCC[C@@H](C)N(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 460003223 GGSIXIKGOKEZIK-CQSZACIVSA-N 286.419 3.774 30 20 CHED C=CCOc1ccc(OCc2ccc(OC)c(F)c2)cc1 462670127 OIEKMOSBWSEQRK-UHFFFAOYSA-N 288.318 3.978 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@H](Cc2ccc(F)cc2)C1 462855034 NGFNFPJARFFSDG-CQSZACIVSA-N 298.336 3.905 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1C[C@@H]1Cc1ccccc1 462883487 LVZFDRCBMBSQRY-GUYCJALGSA-N 266.319 3.740 30 20 CHED C=C[C@H](CC(=O)N[C@H](C)CC(F)(F)F)c1ccccc1 464275465 YOTJNGJMQFTNER-VXGBXAGGSA-N 285.309 3.803 30 20 CHED C=CC[C@H]1N(C(=O)c2cccn2CC=C)CCCC1(C)C 470291869 HWHWQPUDHQDCKR-MRXNPFEDSA-N 286.419 3.881 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@H]1CC[C@H](C)C1 475304019 RUKUDDMFRAPAFT-KBPBESRZSA-N 292.448 3.882 30 20 CHED C=CCOCCCOc1ccc(Cl)c(Cl)c1 475950883 CPHSTRWALZTJSV-UHFFFAOYSA-N 261.148 3.965 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 481658710 MGZZHNIZKHJOFX-RYUDHWBXSA-N 289.354 3.645 30 20 CHED C=CCCC1(C(=O)N2CCCc3ccc(F)cc32)CC1 483299576 XVLIDENSVQFCMC-UHFFFAOYSA-N 273.351 3.851 30 20 CHED N#Cc1ccc(CN2CC[C@H](c3cccc(F)c3)C2)cc1F 483962466 YTKVOWUHWKVNIR-INIZCTEOSA-N 298.336 3.826 30 20 CHED C=C(C)CSCC(=O)N(Cc1ccc(C)cc1)C1CC1 485870887 OZYUWIIQQCTVFK-UHFFFAOYSA-N 289.444 3.795 30 20 CHED CCCc1ccccc1NC(=O)c1ccc(C#N)s1 486810789 RYATYRLSZJMSNL-UHFFFAOYSA-N 270.357 3.825 30 20 CHED Cc1ccc2oc(SCc3cccc(F)c3C#N)nc2n1 488284342 YHFPKIIXHSLTRS-UHFFFAOYSA-N 299.330 3.834 30 20 CHED C=CC[C@@H](C(=O)Nc1ncccc1CC)c1ccccc1 489712770 IFFFISVTJOYEQW-MRXNPFEDSA-N 280.371 3.942 30 20 CHED N#CCC[C@H](NC(=O)/C=C\C1CCCC1)c1ccccc1 493788431 MSCDRSFPTXMNNR-QOHRORDFSA-N 282.387 3.894 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCc1occc1C 494629203 KYROVCRXEZQHGH-UHFFFAOYSA-N 290.388 3.547 30 20 CHED Cc1c(C#N)cccc1C(=O)N1c2ccccc2CC[C@@H]1C 509029774 LUFADXCUIVXUOR-ZDUSSCGKSA-N 290.366 3.848 30 20 CHED Cc1ccc([C@H]2CCCCN2C(=O)NCC(C)(C)C#N)cc1 512900405 CPZGFKIBZJUKQG-MRXNPFEDSA-N 299.418 3.781 30 20 CHED N#Cc1ccc(N[C@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] 516520428 OPSWFBBTEKMKJN-HOCLYGCPSA-N 293.326 3.510 30 20 CHED C[C@H]1CCC[C@H](C)N(Cc2ccc(F)cc2C#N)C1 525124780 JRJSVFATDATWJU-STQMWFEESA-N 260.356 3.708 30 20 CHED C=C(CC)COc1c(Br)cccc1[N+](=O)[O-] 536881127 KSCUAXQWLILYDI-UHFFFAOYSA-N 286.125 3.702 30 20 CHED CC(C)(C#N)CCCNC(C)(C)c1cccs1 543502597 DQQNQKBGRWSRDF-UHFFFAOYSA-N 250.411 3.903 30 20 CHED C[C@H]1CCN(Cc2ccc(F)cc2C#N)CC1(C)C 544782158 PKKJRYLRRFIASM-LBPRGKRZSA-N 260.356 3.565 30 20 CHED C[C@H](c1noc(COc2ccc(C#N)cc2)n1)C(C)(C)C 544978552 RPHKWFNNCFCTKQ-LLVKDONJSA-N 285.347 3.670 30 20 CHED C=CCC[C@@H](NCc1ncccc1F)c1ccco1 556880434 YJNWCPDZYFAZIB-CYBMUJFWSA-N 260.312 3.611 30 20 CHED N#Cc1ccccc1CN1CC[C@H](c2ccc(F)cc2)C1 556884124 PRUYYGSBMMWTLN-KRWDZBQOSA-N 280.346 3.687 30 20 CHED N#Cc1csc(CNC[C@H](c2ccccc2)C2CC2)c1 556884802 QEDKZAZLXKFHIE-QGZVFWFLSA-N 282.412 3.903 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3cccc(F)c3)C2)cc1 560670816 VKOWNAKSKXJVPD-OAHLLOKOSA-N 266.319 3.691 30 20 CHED C=C(C)CCNc1ccc(F)cc1OC1CCOCC1 564198104 DKBDTRATDBCBQJ-UHFFFAOYSA-N 279.355 3.762 30 20 CHED CC[C@H](CC#N)NCCc1ccc2ccccc2c1 565959120 IYVUNAHVQVYENS-QGZVFWFLSA-N 252.361 3.664 30 20 CHED N#Cc1nc(NC2(Cc3ccccc3)CC2)ccc1Cl 566344110 LWUMVPPXXHYMPS-UHFFFAOYSA-N 283.762 3.794 30 20 CHED CC(C)CCc1ccc(NC(=O)CCCC#N)cc1 572214291 XFMMSHPIUPNLCU-UHFFFAOYSA-N 258.365 3.908 30 20 CHED CC(C)(C(=O)N1CCC(CCC#N)CC1)c1cccs1 573685985 HHADHYQPOXOSHL-UHFFFAOYSA-N 290.432 3.568 30 20 CHED C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCC[C@H]1C 578162937 HPQLTSHCXUUSKH-QXBKKUCYSA-N 296.414 3.603 30 20 CHED C=CCOc1ccc(CNC(=O)[C@H]2CCC(C)(C)C2)cc1 579385484 AWCSRRHFRKNUBP-HNNXBMFYSA-N 287.403 3.694 30 20 CHED C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CC1 579666141 ZPXGJIYYVGOIJT-LLVKDONJSA-N 282.309 3.530 30 20 CHED C=CCCCCN1C[C@H](C)O[C@H](c2ccsc2)C1 579916218 FQFYKOWMAMAQKJ-ZFWWWQNUSA-N 265.422 3.866 30 20 CHED N#Cc1sccc1-c1ccc2c(c1)CC[C@]21C[C@@H]1C(=O)O 582133028 GQIQYAWSGPYBRT-PBHICJAKSA-N 295.363 3.575 30 20 CHED COc1cccc(/C=C\C(=O)c2cnn(C(C)C)c2)c1F 588619082 JCNQAPHNGGKNMK-FPLPWBNLSA-N 288.322 3.508 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@](C)(C#N)CC 588927214 VMGDOULYOIHDFS-INIZCTEOSA-N 262.397 3.521 30 20 CHED CN(CCC(C)(C)C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 592019985 WPMZFNNTZOVVOF-MRXNPFEDSA-N 299.418 3.623 30 20 CHED N#Cc1cc(-c2ccc(OC[C@H]3CCCO3)cc2)ccc1F 593953817 QZRCVJBCBZYHSY-QGZVFWFLSA-N 297.329 3.922 30 20 CHED N#Cc1ccc(CCNC2(c3cccc(F)c3)CC2)cc1 595416416 BJBZZBWHJKYKME-UHFFFAOYSA-N 280.346 3.519 30 20 CHED N#CC[C@H]1CCCN(Cc2cc3ccccc3o2)C1 595616105 PNGASGMPQNBUHO-CYBMUJFWSA-N 254.333 3.558 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC([C@H]2CCCCO2)CC1 595789699 SNDPYQOBGIALRE-DNVCBOLYSA-N 298.430 3.900 30 20 CHED CCN(Cc1csc(-c2ccc(F)cc2)n1)[C@@H](C)C#N 595813991 YZMXUBWVLVHGDS-NSHDSACASA-N 289.379 3.683 30 20 CHED CC[C@@H](CC#N)Nc1ncnc2ccc(C(C)C)cc12 596198993 ZNVOSLKZRFWZMC-ZDUSSCGKSA-N 268.364 3.857 30 20 CHED CCCOc1ccc(CN2CCC(CC#N)CC2)c(C)c1 597081261 FPOCRJMHMRJIPY-UHFFFAOYSA-N 286.419 3.910 30 20 CHED CSc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(C)o1 597259158 XYIOWPQIWQMQBD-MEBBXXQBSA-N 292.404 3.512 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 597356423 VUTNHFWNLRUCGI-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED C=CCCSCCNC(=O)[C@@H](C)Cc1ccc(C)cc1 597969396 ZCLJKNVFUNFONI-HNNXBMFYSA-N 291.460 3.599 30 20 CHED N#CCN(C(=O)CC(C1CCC1)C1CCC1)C1CCCC1 599539415 COVHRFLPLAHBII-UHFFFAOYSA-N 288.435 3.888 30 20 CHED CCOC(=O)C[C@H](C)S[C@H](C#N)CCc1ccccc1 601076182 FWMAATOGXPKCQG-ZFWWWQNUSA-N 291.416 3.586 30 20 CHED Cc1nc(S[C@H](C#N)C2CC2)[nH]c1-c1ccccc1 601082219 ZOAAIUXOHMVYLN-CYBMUJFWSA-N 269.373 3.779 30 20 CHED CCC1(CC)CCCN(C(=O)c2ccccc2CC#N)C1 601674498 WNVALCUGTUCVPB-UHFFFAOYSA-N 284.403 3.795 30 20 CHED CO[C@H]1CCOc2c(NC[C@@H](C)CCC#N)cccc21 602643883 NWSSCOXGTXYLTR-WFASDCNBSA-N 274.364 3.508 30 20 CHED N#Cc1csc(CN2CCC3(CCSCC3)CC2)c1 602733919 DCHVUXYDLJQNNO-UHFFFAOYSA-N 292.473 3.729 30 20 CHED CC[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603623081 DIQKEBJNSJWDPK-GFCCVEGCSA-N 295.342 3.730 30 20 CHED COc1c(Cl)cccc1N[C@H](C#N)Cc1ccccc1 604435570 HHWAHKYRVXDJRE-ZDUSSCGKSA-N 286.762 3.895 30 20 CHED N#Cc1c(COc2cccc(F)c2F)cn2ccccc12 609030960 XMEZCRFQDZZBAZ-UHFFFAOYSA-N 284.265 3.668 30 20 CHED N#Cc1ccc(NC[C@@H](O)C2CCCCC2)cc1Cl 609509333 QQHLCYODKVMIAY-OAHLLOKOSA-N 278.783 3.565 30 20 CHED CC(C)(C#N)CN=c1ccc2ccc(Cl)c(Cl)c2[nH]1 611618058 JTRUTCZKVLMDQY-UHFFFAOYSA-N 294.185 3.925 30 20 CHED CC(C)(C#N)CN=c1[nH]c(-c2ccccc2Cl)cs1 612090415 JAUFXYSGBFOGLF-UHFFFAOYSA-N 291.807 3.847 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 614222568 AZZLQOQKGRYQIL-DOTOQJQBSA-N 288.366 3.755 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(C(=O)CC)cc2)C1 617783424 ZVZZYQYRPGUSOG-CQSZACIVSA-N 285.387 3.708 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](CC)Nc2ccccc2)C1 617783921 JSMOQJPXBUUIPL-DOTOQJQBSA-N 286.419 3.692 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2cccc(F)c2)C1 617786304 WTKBDZMEGWHZDS-LSDHHAIUSA-N 289.394 3.819 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 617788248 DUFFTFMIACZPBS-NSHDSACASA-N 281.758 3.907 30 20 CHED N#Cc1cccc(C(=O)N2CCCCc3sccc32)c1 619557669 PLXUODDFRAPMIZ-UHFFFAOYSA-N 282.368 3.603 30 20 CHED C=C[C@@H](SCc1cccc2ccccc12)C(=O)OC 619689088 LMYCUPJLVRWRBC-OAHLLOKOSA-N 272.369 3.801 30 20 CHED N#Cc1ccc(CNC(=O)CCC2CCCC2)cc1Cl 619764845 KYKCBAAHNCKDPB-UHFFFAOYSA-N 290.794 3.798 30 20 CHED C=CCC1(NCc2cncc(Cl)c2)CCCC1 621321527 MCOTUDQTTRJYLR-UHFFFAOYSA-N 250.773 3.714 30 20 CHED C=CCC1(C(=O)NCc2cc(C(C)C)no2)CCCCC1 648932957 WOJOVOCOZLIKNI-UHFFFAOYSA-N 290.407 3.941 30 20 CHED C=C(CNC(=O)c1ccc2cc(C)cn2c1)c1ccccc1 673341730 HFKZOFLKTZWDKS-UHFFFAOYSA-N 290.366 3.691 30 20 CHED CCC(CC)C(=O)Nc1ccc(Br)c(C#N)c1 690185231 HFNDAOQSMVOGPO-UHFFFAOYSA-N 295.180 3.695 30 20 CHED CCCc1sc(C(=O)N2CCC[C@H](C#N)C2)cc1CC 701330575 WUPHDPGSVWTEJH-GFCCVEGCSA-N 290.432 3.639 30 20 CHED C#C[C@H](NCc1cc2cccc(OC)c2o1)C(C)(C)C 702248010 VHJKMUKYMWCMIZ-HNNXBMFYSA-N 271.360 3.579 30 20 CHED C#CCCCOC(=O)CCSc1ccc(C)c(C)c1 727042242 YGYICMNGBXSBTF-UHFFFAOYSA-N 276.401 3.742 30 20 CHED CCCC(Cc1ccccc1)=NNc1ccc([N+](=O)[O-])cn1 727255485 OMPWQFGQQBJKLG-UHFFFAOYSA-N 298.346 3.801 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccsc2)cc1F 727655552 YCMJUAPVRZMRJZ-XQRVVYSFSA-N 275.348 3.849 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(OC(C)C)cc2)c1 728482946 SFJGHLLKRGWKRH-UHFFFAOYSA-N 293.366 3.732 30 20 CHED C=C(C)COC(=O)c1cc(C)n(Cc2ccccc2)c1C 729068946 KAFJNNDGBHHHPA-UHFFFAOYSA-N 283.371 3.886 30 20 CHED Cc1cccc2c1C/C(=C/c1cccc(C#N)c1)C2=O 729150052 IFFMTQQFLDPPDS-DHDCSXOGSA-N 259.308 3.689 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cccc(OCC#N)c1)C2=O 730149975 NMPMSFBFHFWBBQ-YBEGLDIGSA-N 289.334 3.720 30 20 CHED CCC(Cc1ccccc1)=NNc1nccnc1Cl 733079893 WQKBAIAXSXVKPN-UHFFFAOYSA-N 274.755 3.551 30 20 CHED C=CCN(C(=O)NCCc1ccc(F)cc1Cl)C(C)C 733658683 KMBGDQFGTUYKDP-UHFFFAOYSA-N 298.789 3.628 30 20 CHED C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCCC 740326824 BBYPMCCVFYHODB-UHFFFAOYSA-N 288.265 3.837 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@H](C)CC(C)C 741639032 NRWUBEUQCLXHKG-CYBMUJFWSA-N 291.366 3.849 30 20 CHED CCCCCCCC(=O)N[C@@H]1CC[C@H](SC)C1 742749877 NLRNGVHMKWGCJD-OLZOCXBDSA-N 257.443 3.747 30 20 CHED CC(C)(CC(=O)OCc1cccc(C#N)c1)c1ccccc1 743086867 PHKGTQGGMGMBKE-UHFFFAOYSA-N 293.366 3.969 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H](C)[C@@H]1CCOC1 743652426 VBIXZBNYFVKTKO-HZPDHXFCSA-N 298.471 3.803 30 20 CHED CC#CCOC(=O)c1ccc(NCc2ccccc2C)cc1 744735890 FHVKZFCQCSWCQB-UHFFFAOYSA-N 293.366 3.787 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1cnn(-c2ccccc2)c1 746347597 MEUWUJDKUYCKPI-FLIBITNWSA-N 292.313 3.908 30 20 CHED C=C(Br)CN1C[C@@H](C)[C@@H]1c1ccccc1 749115888 UOUSVWQZZBWLNR-ZWNOBZJWSA-N 266.182 3.588 30 20 CHED C[C@@H](C=NNc1ccc([N+](=O)[O-])cn1)CCc1ccccc1 749158301 PDJUNGFGWZBMTO-CYBMUJFWSA-N 298.346 3.656 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)OCc2ccccc2C#N)C1 750244696 XBEPYYLEGGQGMG-ZIAGYGMSSA-N 271.360 3.818 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1csc2ccccc12 754735672 JGVVGOOHWWANDH-QWHCGFSZSA-N 275.417 3.879 30 20 CHED Cc1cc2ncn(CN(C)c3ccccc3C#N)c2cc1C 754759647 TVJFKYISNVBQEP-UHFFFAOYSA-N 290.370 3.619 30 20 CHED CC1=CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 755383726 CFJURVICLYTVGX-UHFFFAOYSA-N 291.807 3.560 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)[C@@H]1C[C@H]1c1ccccc1 755702527 ZTEMFAQVVBMIMB-RDJZCZTQSA-N 287.366 3.858 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1csc2ccccc12 756970860 HCIXNUUWRRGCED-WDEREUQCSA-N 274.389 3.836 30 20 CHED CCCCCCCCN1C(=O)N(C)C2(CCCC2)C1=O 760930115 WTWYHICXSIZNAE-UHFFFAOYSA-N 280.412 3.554 30 20 CHED CCN(C[C@H](O)c1ccc(C#N)cc1)c1cc(C)ccc1C 763491693 BWAQYIXTNYMIND-IBGZPJMESA-N 294.398 3.735 30 20 CHED CCCCCCCCCNC(=O)Cc1ccco1 764755769 XLIZBBSKKXXQGV-UHFFFAOYSA-N 251.370 3.689 30 20 CHED Cc1cccc(C)c1NC(=S)NN=C1CC(C(F)F)C1 766009026 LASXAPGIHBAQLN-UHFFFAOYSA-N 297.374 3.621 30 20 CHED CCC[C@H](C)C(CC)=NNC(=S)Nc1ccccn1 767806650 PQODELFWJOZPOU-NSHDSACASA-N 278.425 3.570 30 20 CHED CCSCCON=C1CCCc2cc(OC)ccc21 768943755 IDXOOMIOUUFPOD-UHFFFAOYSA-N 279.405 3.505 30 20 CHED C=CCCCCNC(=S)N[C@H](C)c1ccccc1 769760740 QDXIUASHMCUSPA-CYBMUJFWSA-N 262.422 3.568 30 20 CHED C[C@@H](C=NNCC(F)(F)F)CC1CCCCC1 769808050 IOHQMUYLTYKGFG-SNVBAGLBSA-N 250.308 3.731 30 20 CHED CSc1ccc(C(C)=NNCC(F)(F)F)c(Cl)c1 769814268 JDSYBKCCAGGWFS-UHFFFAOYSA-N 296.745 3.938 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1ccc(F)c([N+](=O)[O-])c1 769821017 BAAGDSVAIASDKT-ZJUUUORDSA-N 279.315 3.958 30 20 CHED Cc1ccc(F)cc1C=NNc1ccc(F)c([N+](=O)[O-])c1 769828404 GXMVFOSXGIZBLW-UHFFFAOYSA-N 291.257 3.627 30 20 CHED CCCC(=CC(=O)OCC(=O)c1cccc(C#N)c1)CCC 771141855 WGXVCFVEHCZOIU-UHFFFAOYSA-N 299.370 3.811 30 20 CHED C=C(CC)COC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 773543558 UNXNPTHTVUUDFO-UHFFFAOYSA-N 284.359 3.817 30 20 CHED CCOCCON=Cc1ccc(-c2ccccc2F)s1 774430444 GBGHMLIMUMMJKH-UHFFFAOYSA-N 293.363 3.941 30 20 CHED C#C[C@H](N[C@@H](C)c1cccc2ccccc12)[C@H]1CCCO1 775571571 IKLFGRADKPQQRB-ZOCIIQOWSA-N 279.383 3.671 30 20 CHED CN(C)c1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc1 776727338 WIPZKGMQPYFAMK-BJMVGYQFSA-N 294.329 3.659 30 20 CHED C=CCSc1ccccc1C(=O)Nc1cccc(F)n1 776917965 FXOZUMFZHZDJNL-UHFFFAOYSA-N 288.347 3.751 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)CCCc2ccccc21 777464604 XWBFFZVKKNQLQI-GXDHUFHOSA-N 267.303 3.823 30 20 CHED CCC(CC)[C@@H]1C[C@H](/N=C/c2ccccc2O)CCO1 777872784 CHRGFSKMGBHGLG-YYXRTCSZSA-N 275.392 3.795 30 20 CHED COc1ccc2c(c1)C(=NNc1cc(Cl)ccn1)CC2 777914115 XJGKTGGTWPKTPT-UHFFFAOYSA-N 287.750 3.506 30 20 CHED Cc1cc(OC(=O)c2c[nH]c(C#N)c2)ccc1C(C)C 778556389 RFYVCFCCLOENFN-UHFFFAOYSA-N 268.316 3.537 30 20 CHED C#CCCCCNC(=O)c1nc(C)sc1-c1ccccc1 778886739 HOVWZJCBZLECRE-UHFFFAOYSA-N 298.411 3.652 30 20 CHED CCOc1cc(Cl)ccc1C(=O)OCC1(CC#N)CC1 779213607 GFLPXWRTGSGCDA-UHFFFAOYSA-N 293.750 3.589 30 20 CHED C=CCCCCCN(C)C(=O)c1ncc(C)cc1C 779959035 QZNZVKQKCQZRSI-UHFFFAOYSA-N 260.381 3.517 30 20 CHED C#CCCCCCC(=O)N(C)C1CCC(C)(C)CC1 779977137 LAEVNVIQOKIMDY-UHFFFAOYSA-N 263.425 3.997 30 20 CHED C[C@H]1CC(C(=O)Oc2ccc(C#N)cc2F)C[C@H](C)C1 779985760 IMKATYCODGKICF-GHMZBOCLSA-N 275.323 3.675 30 20 CHED C#CCCCCCC(=O)N1CCSC2(CCCCC2)C1 780619314 JTBRJFIKJKCCQT-UHFFFAOYSA-N 293.476 3.848 30 20 CHED CC(CCc1ccccc1)=NNc1ccnc(F)c1 781132024 HVVVBRGTOAMHEF-UHFFFAOYSA-N 257.312 3.641 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H](C)c1c(Cl)cccc1Cl 781175400 MAGHISXCGDJXHF-DTWKUNHWSA-N 286.158 3.942 30 20 CHED COc1cc(C(C)=NNc2ccccc2Cl)ccn1 782113730 QXZFWBQJQVWRJE-UHFFFAOYSA-N 275.739 3.580 30 20 CHED CC(=NNCCC(C)(C)C)c1c(Cl)nc2ccccn12 782902567 DPHSDEMBZAMXQV-UHFFFAOYSA-N 292.814 3.738 30 20 CHED O=C1/C(=C\c2ccccc2F)COc2c(F)ccc(F)c21 783712392 UTIUSQYAGRCOCE-YFHOEESVSA-N 290.240 3.763 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 785415705 KTAAOWDBTHLGLR-YOEHRIQHSA-N 289.423 3.560 30 20 CHED N#CCC1(COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 786429739 AZUHNTNBSBXKDP-NXEZZACHSA-N 295.791 3.742 30 20 CHED Fc1ccc([C@H]2CCCC2=NOC[C@@H]2CCOC2)cc1 788029158 CXFVDVMHNHAAFT-IUODEOHRSA-N 277.339 3.502 30 20 CHED C#CCC1(C(=O)N[C@@H](CC)CC(F)(F)F)CCCCC1 788458843 IIQCGTMRDSBQJJ-LBPRGKRZSA-N 289.341 3.807 30 20 CHED CC(C)C(C=NNc1ccc(C(=O)O)cc1)C(C)C 788931936 KSWFCKQWURQVBY-UHFFFAOYSA-N 262.353 3.711 30 20 CHED Cc1cccc(NN=Cc2ccc(N(C)C(C)C)nc2)c1 790141658 QYXGMAVIJLEAHD-UHFFFAOYSA-N 282.391 3.681 30 20 CHED CCn1cc(C(=O)/C=C/c2ccsc2Cl)cn1 790215595 LVCDCEIJWULLFH-ONEGZZNKSA-N 266.753 3.514 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1CCC(=O)c2ccccc21 792654759 BGBRZNHVWQBMAG-OAHLLOKOSA-N 299.370 3.620 30 20 CHED CCC(=NN[C@@H](C)C(C)(C)C)c1ccc(C#N)cc1 793113605 AZOAGUMZYYSANX-LBPRGKRZSA-N 257.381 3.697 30 20 CHED Fc1cc(NN=Cc2ccc(C(F)F)cc2)ccn1 794530473 MIOLQXLOLBJOGN-UHFFFAOYSA-N 265.238 3.604 30 20 CHED O=C1/C(=C\c2ccc(F)cc2F)CCc2ccc(O)cc21 794959598 BRXHNVAPZIMSIP-GHXNOFRVSA-N 286.277 3.883 30 20 CHED C=CCC[C@H](N[C@@H](C)C[C@@H](O)c1ccco1)c1ccco1 796795175 ALTWKQQLRLBAQC-SOUVJXGZSA-N 289.375 3.982 30 20 CHED COc1cc2c(cc1/C=C\C(=O)c1ccc(C)o1)O[C@H](C)C2 797200382 QDXJTGBPIFEFST-FOQNGQEVSA-N 298.338 3.816 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3ccccn3)C2)cc1Cl 798416268 MPYULUCUPIWWKW-CYBMUJFWSA-N 283.762 3.601 30 20 CHED C#C[C@H](NC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(C)C 798514647 UDLXJGDMBLWXRB-ZFWWWQNUSA-N 298.386 3.759 30 20 CHED C=CCCOC(=O)c1ccc(-c2csc(C)n2)cc1 799517328 DWIXBPFJHBFIGX-UHFFFAOYSA-N 273.357 3.851 30 20 CHED CCCCCCCOC(=O)c1cc(C2CC2)no1 799577050 BHPCLHYFEHRRDK-UHFFFAOYSA-N 251.326 3.679 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cccc(C(F)F)c1 804835133 ZNWBLSGNJBQPNF-UHFFFAOYSA-N 299.320 3.900 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C2CC2)C(F)(F)F)cc1 806662726 PLSNXNBCAOMADX-ABAIWWIYSA-N 297.320 3.690 30 20 CHED CC(C)(C)CCC(=NNc1cncnc1)c1cscn1 807987020 CUNZOOGGILYZSV-UHFFFAOYSA-N 289.408 3.576 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C[C@@H]1C[C@H]2C=C[C@H]1C2 807991615 QKQTZSQUENXISL-AVGNSLFASA-N 271.320 3.513 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2cc(C#N)ccc2Cl)C1 808709448 BGPMRYGXTUQBLD-MWLCHTKSSA-N 263.724 3.557 30 20 CHED CCCCCCC[C@H](C)N[C@H](c1nncn1C)C(C)C 809691909 NYRVFRMMLVKJFH-GJZGRUSLSA-N 280.460 3.851 30 20 CHED C=CCCCCCCCNC(=O)C1(F)CCCC1 810765566 CDFJOBZBLNMPRO-UHFFFAOYSA-N 255.377 3.912 30 20 CHED C=CCC[C@@H](Nc1ccc(C(=O)OC)cn1)c1ccccc1 813600400 ZNNGBUZUIXGWDW-MRXNPFEDSA-N 296.370 3.988 30 20 CHED C#CCOc1ccc(CN(C2CCC2)C2CCC2)cc1 814177427 BPIKTPGKWIWLEE-UHFFFAOYSA-N 269.388 3.606 30 20 CHED COC(=O)c1cccc(NN=C2CCC[C@H]2C(C)(C)C#N)c1 814900915 NYUBBERIRQLKNI-CQSZACIVSA-N 299.374 3.591 30 20 CHED Cc1cc(C#N)cnc1C(=O)Oc1ccc(C(C)(C)C)cc1 815901342 MWEVDROFIBHAOJ-UHFFFAOYSA-N 294.354 3.778 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccnc(OC(C)C)c1 816123694 RFHJOWZWYHJAPV-UHFFFAOYSA-N 289.375 3.680 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(C)n(C2CCCCC2)n1 816776796 HSNNOVFKKCLNSR-UHFFFAOYSA-N 297.349 3.847 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)OCCCC(C)(C)C#N 820931444 IZPDYQCWOBUJNO-QWHCGFSZSA-N 251.370 3.686 30 20 CHED C[C@]1(CCN[C@H]2CCC[C@@H](C#N)C2)CC1(Cl)Cl 824971473 RLOILBZDHBHPTO-WOPDTQHZSA-N 275.223 3.632 30 20 CHED CCc1nocc1/C=C1/C(=O)c2ccccc2[C@@H]1C 834441153 AZBOQENULPNJBA-CEITULEQSA-N 253.301 3.620 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccc(OC)cc2OC)c1 834904483 YSZWWTCYAOTQRK-AWEZNQCLSA-N 295.382 3.536 30 20 CHED C=CCCCCC(C)=NNc1ccc(S(C)(=O)=O)cc1 834939867 VEYYLLVSXUBDOO-UHFFFAOYSA-N 294.420 3.624 30 20 CHED C[C@@]12C[C@H]1CCCC2=NNc1ccc(C(=O)O)c(F)c1 835009164 OVIQSPBLKXKWLX-RFAUZJTJSA-N 276.311 3.502 30 20 CHED CC(CCC(C)C)=NNc1ccc(C(=O)O)c(F)c1 835010104 OIOIFHCXGQSMSK-UHFFFAOYSA-N 266.316 3.748 30 20 CHED CCC[C@@H](CC(C)C)C(=O)OCC1(CC#N)CC1 835188168 PYLLJLCKGXXPIM-ZDUSSCGKSA-N 251.370 3.686 30 20 CHED N#Cc1ccc(CCC(=O)O[C@@H](C2CCC2)C2CC2)cc1 836044515 WAYLKDYXCBHKGW-SFHVURJKSA-N 283.371 3.613 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C#CC(C)(C)C 837333829 OLSSZVRZHJZQJB-NSHDSACASA-N 279.330 3.534 30 20 CHED CC(C)(C)C#CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 837441846 ZQVGZPCSJHAALA-CQSZACIVSA-N 275.779 3.663 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] 837864952 UBBRIILVMJANHL-UHFFFAOYSA-N 283.711 3.504 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cnc3ccsc3c2)C1 839050643 CHTOMINMJIUSSO-JQWIXIFHSA-N 286.356 3.535 30 20 CHED C=CC[C@@H](NC1CCC(F)(F)CC1)c1ccncc1 842842625 YRIZRKLRRTWGFC-CQSZACIVSA-N 266.335 3.866 30 20 CHED Cc1cccc(-c2ccc3c(c2)OCCC[C@H]3O)c1C#N 844231110 NCNVAYPCLZKTBJ-QGZVFWFLSA-N 279.339 3.740 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](C)c1cc2ccccc2s1 845621335 FSBQVBPWLNCXFE-GHMZBOCLSA-N 290.388 3.768 30 20 CHED C=CC[C@H](CC)NC1CC(CCNC(=O)OC(C)(C)C)C1 845970372 WGJARNFIGDYIQI-SLTAFYQDSA-N 296.455 3.624 30 20 CHED CCc1ccc(N(CC2CC2)C(=O)[C@@H](C#N)CC)cc1 846240367 LXBBVPVQNJAMTD-OAHLLOKOSA-N 270.376 3.542 30 20 CHED C=C(C)CONC(=O)C[C@H](CC)c1ccc(C)cc1 846536802 AUQBESQLTPAPJE-AWEZNQCLSA-N 261.365 3.503 30 20 CHED C=CCC[C@H](OC(=O)CCCc1cccnc1)C1CC1 850903479 DQLGPYAFBVYXJE-INIZCTEOSA-N 273.376 3.692 30 20 CHED C=C[C@@H](OC(=O)CCc1nc(C)cs1)c1ccccc1 851451493 ITJUITUBRCXINI-CQSZACIVSA-N 287.384 3.855 30 20 CHED C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)Cc2ccccc21 854256701 ZGDOOVQNSIQNBV-HNNXBMFYSA-N 296.414 3.996 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CC[C@@H]2C[C@@H]2C1 856065961 QHRRPHMAHJMTJR-ZACQAIPSSA-N 295.467 3.747 30 20 CHED C#CCCOC(=O)N[C@H](C)c1cc2ccccc2s1 858956766 ZKBYIESEXJYMHY-LLVKDONJSA-N 273.357 3.712 30 20 CHED C#C[C@H](OC(=O)c1oc(C(C)C)nc1C)c1ccc(C)cc1 860962307 IYZIISGAUIJQRX-HNNXBMFYSA-N 297.354 3.946 30 20 CHED C=C(Cl)CN[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 877149350 MBHSSQMAZUDOKF-DOTOQJQBSA-N 290.838 3.697 30 20 CHED C=CCCC[C@H](N[C@@H](C)CC[S@](C)=O)c1ccccc1 883206361 PSWVSSIHDZGRDY-KNBMTAEXSA-N 293.476 3.831 30 20 CHED C=C1CCC(C(=O)N2CCc3cc(F)cc(C)c3C2)CC1 890432471 NAEDMSGYRHHTSS-UHFFFAOYSA-N 287.378 3.765 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N1CCCc2nc(C#N)ccc21 892393813 HIHCJCAUHZFVAK-AWEZNQCLSA-N 299.418 3.695 30 20 CHED CC1(C)CCC(CC(=O)N(CC#N)c2ccccn2)CC1 892469564 JVWKBPQQOXFQQC-UHFFFAOYSA-N 285.391 3.545 30 20 CHED C=C1CCN(C(=O)N[C@H](C)[C@H](C)c2ccccc2)CC1 893395258 MVNFTWCPVROSKJ-LSDHHAIUSA-N 272.392 3.540 30 20 CHED CN(CCCCN1CCCCC1)CC(C)(C)CCC#N 895686307 QYNXVULGMKHHAT-UHFFFAOYSA-N 279.472 3.514 30 20 CHED C=CCOc1ccccc1-c1nc(C2(SC)CC2)no1 896781064 MBWGDEHRAAZMLH-UHFFFAOYSA-N 288.372 3.654 30 20 CHED CC[C@H]1c2ccccc2CN1c1ccc(C#N)cc1CO 897353400 ANFVTLUHHCROJI-KRWDZBQOSA-N 278.355 3.522 30 20 CHED CC[C@H]1c2ccccc2CN1c1nc(C)ccc1C#N 897353986 HDTPACRFWYQLAY-INIZCTEOSA-N 263.344 3.733 30 20 CHED C=C1CCC(C(=O)N2CCC[C@H](c3ccncc3)C2)CC1 897756417 MBXVFNCYROICHD-KRWDZBQOSA-N 284.403 3.534 30 20 CHED N#CC1(CCCC[S@@](=O)CC=C(Cl)Cl)CCC1 899419558 QGIRQXGKRJBDLL-QGZVFWFLSA-N 294.247 3.918 30 20 CHED COC[C@H](SCc1cc(C#N)ccn1)c1ccccc1 901667795 MMFCUWXSSKXNKH-INIZCTEOSA-N 284.384 3.574 30 20 CHED CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc(F)ccc1OC 903370885 KOQOWYBTKNXJED-ZLDLUXBVSA-N 276.355 3.567 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCC1(C)CC1 903875688 TZLDKLVAVIRSBY-UHFFFAOYSA-N 250.386 3.545 30 20 CHED CO[C@H]1CCCCC1=NNc1ccc(Cl)cc1[N+](=O)[O-] 915974933 ASKFCHYLDOPBLD-ZDUSSCGKSA-N 297.742 3.605 30 20 CHED CCOc1ccccc1C(C)=NNc1ccc([N+](=O)[O-])cc1 916244930 GYAWOGJSIIRKBQ-UHFFFAOYSA-N 299.330 3.830 30 20 CHED O=[N+]([O-])c1cc(C=NOCc2ccccc2)ccc1Cl 916620803 FPNPCKGEGSXNPS-UHFFFAOYSA-N 290.706 3.799 30 20 CHED C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C 917070512 CWWCGKXRSPDFIS-UHFFFAOYSA-N 291.782 3.786 30 20 CHED COc1ccc(Cl)cc1/C=C\C(=O)c1cccc(O)c1 917142610 JKIAMFQMTQQDJU-ALCCZGGFSA-N 288.730 3.950 30 20 CHED CCCCCCCCN1C(=O)CN(c2ccccc2)C1=O 917253934 OSHJMYKDMRFPPT-UHFFFAOYSA-N 288.391 3.816 30 20 CHED CCCCCCCCCNC(=O)c1cncnc1CC 918043199 OOAAQUCAOXEABY-UHFFFAOYSA-N 277.412 3.519 30 20 CHED C=C(C)CNC(=S)N(CCc1ccccc1)CC(C)C 921002974 PLKKBUIXIOLTKM-UHFFFAOYSA-N 290.476 3.638 30 20 CHED COc1cccc(/C=C2/Cc3cc(C)ccc3C2=O)c1OC 921264539 VPOFZNKXSNYZJW-GDNBJRDFSA-N 294.350 3.835 30 20 CHED CCC(CC)[C@@H]1C[C@H](N[C@@H](C)CC(C)(C)C#N)CCO1 926110030 PCJFHLNRGQMPQQ-IMJJTQAJSA-N 280.456 3.888 30 20 CHED Cc1cccc2c1[C@H](NCC1CCC(C#N)CC1)CC2 926357011 RYEDDOFFYTZLFF-VMBOVVBDSA-N 268.404 3.902 30 20 CHED CC(C)C[C@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 928220956 KXFNDZZCOFQTOD-RDJZCZTQSA-N 284.403 3.578 30 20 CHED C=C(Cl)COC(=O)CCc1ncc(-c2ccccc2)o1 928973696 HEJAMEBXPACJAT-UHFFFAOYSA-N 291.734 3.570 30 20 CHED C=C[C@H](CC)CC(=O)N(C1CC1)[C@@H](C)c1ccco1 930515119 IRNXICSODGJRSA-QWHCGFSZSA-N 261.365 3.934 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](C=C)CC 930991443 YAVVMJMUPKVLSL-OAHLLOKOSA-N 282.387 3.675 30 20 CHED C=C1CN(C(=O)Nc2ccc(OCCC(C)C)cc2F)C1 931871459 JFNIXTINJCUDCU-UHFFFAOYSA-N 292.354 3.654 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(F)c(F)cc1F 931997344 GYEBKRYGIYQEQR-QMMMGPOBSA-N 257.255 3.645 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(F)c2occc12 935993525 TVZSEASTJBSGCW-UHFFFAOYSA-N 288.322 3.632 30 20 CHED CC(C)CN(CCC#N)Cc1csc(C(C)C)n1 1116438660 LUGMRCATHREPQJ-UHFFFAOYSA-N 265.426 3.638 30 20 CHED C=CCC1(NC(=O)CCc2ccc3c(c2)CCO3)CCCC1 1118734160 VFUCYBLCWDEZGB-UHFFFAOYSA-N 299.414 3.559 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 1120813706 LBLIWLUYKLYARK-GVDBMIGSSA-N 293.451 3.785 30 20 CHED Cc1cc(C)cc(NC(=O)[C@@H](CC#N)c2ccccc2)c1 1124431493 TXLUNHWKSPWRRY-KRWDZBQOSA-N 278.355 3.939 30 20 CHED CCc1nnc(NCc2ccc(C)cc2C)c(C#N)c1CC 1162189696 FWQJRGUJTLJACK-UHFFFAOYSA-N 294.402 3.702 30 20 CHED Cc1cccc(NC(=O)Nc2sccc2C#N)c1C 1202690234 JTMVYHRSQRAQGC-UHFFFAOYSA-N 271.345 3.881 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)C1(C#N)CCCC1 1251301676 OTKUVGBNOJFKDX-OAGGEKHMSA-N 290.451 3.895 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccsc2C(F)F)n1 1263284189 WNXOWDFLWOIAIO-MRVPVSSYSA-N 298.339 3.941 30 20 CHED CSc1ccccc1CC(=O)Nc1cccc(CC#N)c1 1272973271 SWANRUQEJMHWTI-UHFFFAOYSA-N 296.395 3.656 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 1274125286 YCFNTQPMLMAZRA-BZUAXINKSA-N 297.402 3.807 30 20 CHED Cc1cc(NC(=O)C[C@@H](C)c2ccc(F)cc2)ncc1C#N 1277604708 WFWTYPHTGYZKSM-GFCCVEGCSA-N 297.333 3.533 30 20 CHED CCc1nc(C#N)cc(NCC[C@H]2CCCC[C@@H]2C)n1 1306970390 QKEWYSOJJLUNEA-QWHCGFSZSA-N 272.396 3.539 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 1312841689 RSLDWQHJVLBYPJ-ZIAGYGMSSA-N 293.455 3.830 30 20 CHED C=CCCCC(=O)Nc1cccc(CN2CCCC2)c1 1319055898 UWFDLIOCCKHGHL-UHFFFAOYSA-N 272.392 3.577 30 20 CHED C=C[C@@H](COC)N[C@H](C)c1ccccc1SCC 1320306483 UNCCIDOLKQDQGT-OLZOCXBDSA-N 265.422 3.650 30 20 CHED C#CCC1(C(=O)OCc2ccc(C(C)=O)cc2)CCCCC1 1324714756 SCQRYLNBJQPVBX-UHFFFAOYSA-N 298.382 3.906 30 20 CHED CC1(CCCCSc2cccc(F)c2C#N)OCCO1 1328041845 GCFLPHDDRQLZGZ-UHFFFAOYSA-N 295.379 3.723 30 20 CHED C#CCN(Cc1ccc(Sc2ccccn2)o1)CC1CC1 1330431191 JWSCGOWBUJDNLU-UHFFFAOYSA-N 298.411 3.671 30 20 CHED N#CCOc1ccc(NC2CCc3ccccc3CC2)cc1 1330715010 RQPHTNNCMUXHGI-UHFFFAOYSA-N 292.382 3.948 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H](C)c1cccs1 1335398101 PDQOSCYXQXVWHO-NEPJUHHUSA-N 251.395 3.870 30 20 CHED C=C(CC)CN1CCC(c2nc3ccccc3o2)CC1 1337180442 HXGPZXIBZABDPI-UHFFFAOYSA-N 270.376 3.973 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H](C)Cc1cccc(F)c1 1339030823 SOSQZDPQDBTVFA-ZDUSSCGKSA-N 263.356 3.571 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2cnc(Cl)cc2C#N)CC1 1340722548 PFDQYYDKIABLTD-NSHDSACASA-N 289.766 3.682 30 20 CHED CC(C)[C@H](C#N)C=NOc1ccccc1C(F)(F)F 1341111171 JGOBCEJEKWOPHF-SNVBAGLBSA-N 270.254 3.866 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@H]1CCc2ccccc21 1346138434 AWFWEIFCQGGDSE-INIZCTEOSA-N 257.377 3.735 30 20 CHED C=C(CC)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1347353219 MPTUTMXMGPZGSK-HNNXBMFYSA-N 282.387 3.840 30 20 CHED CC1=C(C(=O)N(C)c2ccc(C#N)c(Cl)c2)CCC1 1438271369 GYSNFOQOKKFZRQ-UHFFFAOYSA-N 274.751 3.675 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1csc(C#N)c1 1458353221 BJRLIUGGKQSLIL-CQSZACIVSA-N 276.405 3.661 30 20 CHED Cc1cc(C)cc(CCNc2cc(C)c(C#N)cn2)c1 1472701486 UEMGKDXGDHDVEW-UHFFFAOYSA-N 265.360 3.533 30 20 CHED CC(=O)c1ccc(N(C)Cc2ccc(CC#N)cc2)cc1 1473749876 KRFYFKNXVCVPHB-UHFFFAOYSA-N 278.355 3.592 30 20 CHED CCC1(NC(=O)Nc2sccc2C#N)CCCCC1 1563024860 WGCDQHOQWZEGPH-UHFFFAOYSA-N 277.393 3.854 30 20 CHED CCC[C@H](CC)C(=O)N(CCC#N)CCC(C)C 1565638760 KKIQWJKKUGQRGF-AWEZNQCLSA-N 252.402 3.601 30 20 CHED CCCCC1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 1583327372 GEWOYMWTDAJCCG-UHFFFAOYSA-N 287.407 3.613 30 20 CHED C=C[C@H](N[C@H](c1ccc(CC(C)C)cc1)C1CC1)C(=O)O 1588697348 UCZUAXSODGVSET-DLBZAZTESA-N 287.403 3.565 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2cc(C(=O)O)cs2)c1 1610454466 AFQXRIIZJACQRK-ARJAWSKDSA-N 286.352 3.959 30 20 CHED N#CCCC[C@H](NCc1ccoc1C(=O)O)c1ccccc1 1610621742 QJDIODYQLMLUBF-HNNXBMFYSA-N 298.342 3.503 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)NCC1(CC#N)CC1 1634858664 PRSZARWWUHJZCQ-CABCVRRESA-N 291.439 3.586 30 20 CHED CCc1cc(Oc2ccc(C#N)cc2Cl)nc(CC)n1 1639204892 WWFYDODFHJTRKE-UHFFFAOYSA-N 287.750 3.919 30 20 CHED N#Cc1cc(N2CC[C@H]2c2ccc(Cl)cc2)ccn1 1639893885 DFBSLAUUZONREQ-HNNXBMFYSA-N 269.735 3.558 30 20 CHED Cc1ccc(CCNc2ccc(C#N)c(C)n2)cc1C 1640140030 SCFSZMKIJGTUNW-UHFFFAOYSA-N 265.360 3.533 30 20 CHED C[C@@H]1C[C@@H](C)CN(CCN(C)[C@H](C)c2cccc(C#N)c2)C1 1646331706 XBDWKWCWOHZCLQ-BRWVUGGUSA-N 299.462 3.529 30 20 CHED Cc1cc(NC[C@H]2CCCC(C)(C)C2)ncc1C#N 1651151305 NFRLTKLFUZDUAU-ZDUSSCGKSA-N 257.381 3.890 30 20 CHED N#Cc1ccc(SCc2ccc3c[nH]nc3c2)cc1 1651771776 LBVMWQMLEUHUOC-UHFFFAOYSA-N 265.341 3.727 30 20 CHED N#Cc1cc(F)cc(NCc2cccn2C(F)F)c1 1665453830 JBCNRCCTCZLUQJ-UHFFFAOYSA-N 265.238 3.506 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNc1ccc(CC(=O)O)cc1 1776084341 IXLCJUZYRXIGPZ-GFCCVEGCSA-N 288.391 3.928 30 20 CHED Cc1ccc(C(=O)/C=C/c2csc(C(=O)O)c2)c(C)c1 1776132668 BFQNDKDSBBMESN-GQCTYLIASA-N 286.352 3.959 30 20 CHED Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 36991946 QABSILZTXCHSQM-KBPBESRZSA-N 280.371 3.984 30 20 CHED C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)C1CCCCC1 37316691 JOACNISZDQWDJV-LLVKDONJSA-N 273.336 3.847 30 20 CHED COc1ccccc1SCCOc1cccc(C#N)c1 41030580 KUMWGOMPCIWWJE-UHFFFAOYSA-N 285.368 3.738 30 20 CHED C=C(C)CN(CC)C(=O)c1cccc(OCCC)c1 44464472 XDRMCEYBTWJPDF-UHFFFAOYSA-N 261.365 3.514 30 20 CHED C[C@@H]1CCCC[C@H]1OCCN(C)Cc1ccc(C#N)cc1 46054170 BFSWONAKVSYZKF-CRAIPNDOSA-N 286.419 3.585 30 20 CHED C=C(Cl)CSc1ncc(-c2ccccc2)n1C 48397764 PWQLJKGHDYOZBY-UHFFFAOYSA-N 264.781 3.932 30 20 CHED Cc1ccccc1S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C 48835165 ACLRTDRLGWOQMT-XJKSGUPXSA-N 290.432 3.530 30 20 CHED C=CCOc1cccc(NC(=O)c2cnc(CC)s2)c1 49159442 KSYYWGKJKBULPN-UHFFFAOYSA-N 288.372 3.523 30 20 CHED N#C[C@H](C(=O)C1(c2cccc(F)c2)CCC1)c1ccccn1 49457404 AHZXMWATIWVUPD-HNNXBMFYSA-N 294.329 3.519 30 20 CHED C[C@@H](NCc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1 62706581 MYBLIJJNOLETDK-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=CCN(CC=C)Cc1ncc(-c2cccs2)o1 67485561 KAMMFOXZHCCZCR-UHFFFAOYSA-N 260.362 3.577 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CCc1ccco1 69607219 MAUWXKWHZJPZKD-ZDUSSCGKSA-N 297.358 3.603 30 20 CHED CC[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 75275898 ULCOLPFSJFEPMJ-KSSFIOAISA-N 292.382 3.929 30 20 CHED Cc1cc(C)n(-c2ccccc2NCc2ccc(C#N)o2)n1 90194323 LIMIKQODDFVYHF-UHFFFAOYSA-N 292.342 3.566 30 20 CHED C=C(C)COCCN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 90450700 KENRDEHYBQRYAX-INIZCTEOSA-N 292.379 3.618 30 20 CHED CC[C@H](CNc1cnccc1C#N)Oc1cccc(C)c1 91733900 RLIBCDTXOSNRPP-OAHLLOKOSA-N 281.359 3.531 30 20 CHED COc1ccc(CN(C)CC(C)(C)CCC#N)cc1C 92787177 MOOIJYATJGJKDW-UHFFFAOYSA-N 274.408 3.765 30 20 CHED Cc1cccc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)c1 93901776 ZAOBRHDOFFVASQ-MDZDMXLPSA-N 282.387 3.922 30 20 CHED CCCCCCCC(=O)Nc1cccc(C(=O)O)c1 100151042 VZUFDQGVFQHVBS-UHFFFAOYSA-N 263.337 3.684 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(CSC)c1 109389134 UGCHMYPUJHDVFM-UHFFFAOYSA-N 276.405 3.756 30 20 CHED Cc1noc(C)c1[C@@H](C)/N=C/c1cc2ccccc2nc1O 113771416 RRFIRMKSDQWKDZ-SVXRXWARSA-N 295.342 3.725 30 20 CHED N#CCc1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1 120941254 HCBTZCBEYZLSMO-HNNXBMFYSA-N 295.342 3.545 30 20 CHED CN(CC#N)Cc1ccc(Oc2ccccc2F)c(F)c1 124278275 JGBAUUMNVUNTGV-UHFFFAOYSA-N 288.297 3.712 30 20 CHED N#C[C@H](C(=O)c1cncc(-c2ccccc2)c1)c1ccccn1 124519053 ZEUPZAMBSDYOGO-KRWDZBQOSA-N 299.333 3.634 30 20 CHED C=CCOc1ccc(-c2nnc(SCC=C)o2)cc1 126238688 FUGXNPVSHWBINX-UHFFFAOYSA-N 274.345 3.580 30 20 CHED CCc1ccc(C(=O)Nc2sc(CC)cc2C#N)cc1 126766900 JUHHSRXEBDBLEB-UHFFFAOYSA-N 284.384 3.997 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCC[C@H](O)CC)cc1 128323997 IELBABMCOKEFDA-DZGCQCFKSA-N 297.826 3.630 30 20 CHED Cc1cccc([C@H](C)CNC(=O)C2(C#N)CCCCC2)c1 129491238 LYKJVBDOPZXQDR-OAHLLOKOSA-N 284.403 3.689 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(C#N)cc1 130699579 FWHCQNAKBMEGPC-LBPRGKRZSA-N 258.365 3.503 30 20 CHED CC(C)(C#N)c1ccccc1CNc1cccc(C#N)c1 131420786 JMJFVDZEDXJHLU-UHFFFAOYSA-N 275.355 3.972 30 20 CHED C[C@@H]1CC[C@H](Nc2nc3ccccc3cc2C#N)C1 132732127 IOBIKPGMXGZAMU-RISCZKNCSA-N 251.333 3.707 30 20 CHED CC[C@H](C#N)OC(=O)CCn1ccc2cc(Cl)ccc21 132925602 ZYGWUYCXMRCJLD-CYBMUJFWSA-N 290.750 3.530 30 20 CHED C=CCC[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccccc1 133876540 VARKQKZGGXBGHL-IRXDYDNUSA-N 287.403 3.769 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1O 134928874 BTQUZMHPZCWUIJ-YUMQZZPRSA-N 260.164 3.924 30 20 CHED C=CCC(CC=C)C(=O)NC(C)(C)c1cccc(F)c1 150759603 FDLBABJSODSHMN-UHFFFAOYSA-N 275.367 3.945 30 20 CHED CC(C)(C#N)c1ccccc1CSc1nnc(C2CC2)[nH]1 151378685 ZBOZNGAMMYFAQU-UHFFFAOYSA-N 298.415 3.776 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H](C)c2cccs2)s1 152504070 UKYZTNQPGWVTLS-SECBINFHSA-N 290.413 3.986 30 20 CHED CN(CCc1ccccn1)Cc1ccccc1C(C)(C)C#N 153004808 ZLBZWYLLNTXGKT-UHFFFAOYSA-N 293.414 3.557 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCCOCC1 158143055 QTDSBUMFNDUGCS-LBPRGKRZSA-N 284.281 3.558 30 20 CHED CC[C@](C)(C#N)NC(=O)CCc1cc(Cl)cc(Cl)c1 158346359 IHIWPXUPNDBXER-CQSZACIVSA-N 299.201 3.734 30 20 CHED C=CCCCCCN(C)Cc1cnc2ccccn12 160562336 CDGISIGUZYEBTP-UHFFFAOYSA-N 257.381 3.513 30 20 CHED CNC(=O)c1ccc(CSCCCC(C)(C)C#N)cc1 161759451 FLKCGARDRSNTJQ-UHFFFAOYSA-N 290.432 3.609 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 162046071 LARGLEMUJPOPTC-GOSISDBHSA-N 294.354 3.901 30 20 CHED N#C[C@H](NC(=O)CC1=CCCCC1)c1ccccc1Cl 172028187 WHQOQCZNADCZLY-HNNXBMFYSA-N 288.778 3.911 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1CCSc2ccc(F)cc21 172054168 HTCXCPYJYZWVEQ-ZWNOBZJWSA-N 294.395 3.626 30 20 CHED C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)c1cccs1 172661558 CWRKCXAGIOPGCQ-GHMZBOCLSA-N 296.351 3.869 30 20 CHED C#CCCCNC(=O)N1CCCCC[C@H]1c1ccc(C)o1 173318477 WPPNDTAREXWNJN-HNNXBMFYSA-N 288.391 3.628 30 20 CHED C#CCCCNC(=O)N[C@@H](C)c1cccc2ccccc12 173420142 HGEHTSHYWWYINK-AWEZNQCLSA-N 280.371 3.613 30 20 CHED COc1ccccc1C(C)(C)NCCCC(C)(C)C#N 174846392 QEQSTLKIALIQRA-UHFFFAOYSA-N 274.408 3.850 30 20 CHED C=CCCCC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 175697396 VJHDZCRJQVIUFJ-GDBMZVCRSA-N 257.377 3.747 30 20 CHED Cc1noc(C)c1[C@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175787166 CCFLNIJBGNGQOD-JQWIXIFHSA-N 298.342 3.571 30 20 CHED Cn1c(CSc2cccc(C#N)c2)nc2ccccc21 177355685 PRUJCIIDZADSKD-UHFFFAOYSA-N 279.368 3.737 30 20 CHED C=CCC(CC=C)C(=O)N1CCc2cccc(C)c21 177389511 QMDLJQRSOSEXDM-UHFFFAOYSA-N 255.361 3.653 30 20 CHED C=CCCN[C@H](C)c1cccc(OCc2ccccn2)c1 179689297 IFFZZWNFQDQQLO-OAHLLOKOSA-N 282.387 3.887 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)Cc2ccc3ccccc3c2)C1 179946390 YVLNPLCBBDDDJY-RHSMWYFYSA-N 279.339 3.618 30 20 CHED CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccncc1 181805964 WUCRJYBEIZDTCQ-KBXCAEBGSA-N 295.386 3.786 30 20 CHED CC(C)(C)CN(CCC#N)CCC(=O)c1ccccc1 182334621 CZOLKKAVGZAAAG-UHFFFAOYSA-N 272.392 3.521 30 20 CHED CC(C)(CC#N)COC(=O)c1ccc(-n2cccc2)cc1 184768392 YLVMEAVLFCPYAG-UHFFFAOYSA-N 282.343 3.574 30 20 CHED CCCOCc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 185785161 GWDPPMKCGFFQDD-QAPCUYQASA-N 286.419 3.785 30 20 CHED C=CCC[C@@H](NC[C@H](C)c1nc(C)cs1)C1CC1 186574429 IUPZKVCCZRWMAS-SMDDNHRTSA-N 264.438 3.889 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1ccc(C(C)(C)O)cc1 186612130 AQHTUPAWVFJSMS-UONOGXRCSA-N 261.409 3.604 30 20 CHED C=C(C)[C@@H](NCCCCOC)c1ccc(F)c(F)c1 187777269 MNJAAJZTFSHCDO-OAHLLOKOSA-N 269.335 3.598 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)N[C@H](C)CC#N)c1C 189137064 DMRRNYSWFAWQRL-LLVKDONJSA-N 282.343 3.595 30 20 CHED C[C@H](Sc1nnc(C(C)(C)C)[nH]1)c1cccc(C#N)c1 189826994 QEOZBRAYUHWZAB-JTQLQIEISA-N 286.404 3.827 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCO[C@@H](C)c1ccccc1 189926967 GPTNXVQFNRKBJJ-MAUKXSAKSA-N 289.419 3.873 30 20 CHED Cc1c([C@@H](C)NCc2cccc(C#N)c2)cnn1C(C)(C)C 191163208 ZQDNPZLQKCJNQU-CYBMUJFWSA-N 296.418 3.669 30 20 CHED CC(C)Oc1ccc(N(C)C(=O)c2ccc(C#N)cc2)cc1 191597179 YJULVJDNXYSLAR-UHFFFAOYSA-N 294.354 3.622 30 20 CHED C=CCCC(=O)Nc1cnn(-c2cccc(C)c2)c1CC 192152891 QOOGIOAWORAUJY-UHFFFAOYSA-N 283.375 3.648 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cccc(Cl)c2C)n1 193801323 UJOFDTWPVXKWJO-LLVKDONJSA-N 290.775 3.903 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)o1 194656107 PQKDMMTXRPRHPY-SOFGYWHQSA-N 290.702 3.616 30 20 CHED C=CCCCCCNc1ccccc1C[S@](C)=O 195451956 HSAHZONAVYQPTF-SFHVURJKSA-N 265.422 3.723 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc3c2CCC3)c1 195648435 LMIUEOIWPKTJRA-UHFFFAOYSA-N 293.366 3.992 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc1F 213627022 RTFNKDQFXVDJSC-WMZJFQQLSA-N 299.345 3.796 30 20 CHED CCC(CC)C(=O)Nc1ccc(C#N)cc1Cl 226348164 CQGPJKUCTPVLAI-UHFFFAOYSA-N 250.729 3.586 30 20 CHED CCc1ccc(CNCc2cc(C#N)ccc2F)cc1 230696041 ZDQLMUOOPVEXOG-UHFFFAOYSA-N 268.335 3.550 30 20 CHED CCOc1ccc(CN(CCCCC#N)C(C)C)cc1 263842729 YUXWCUCLMXIWGD-UHFFFAOYSA-N 274.408 3.990 30 20 CHED CCN(c1ncc(C#N)cc1Cl)[C@@H](C)c1cccnc1 265238225 SHSPPCKMINJRBJ-NSHDSACASA-N 286.766 3.589 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccccc1OC(F)F 265268537 FLHMHTJPRZXSFK-WDEREUQCSA-N 298.333 3.613 30 20 CHED N#CC1(c2nc(-c3ccc(F)cc3)no2)CCCCC1 267131381 VSFHSJRIOHMQKD-UHFFFAOYSA-N 271.295 3.601 30 20 CHED C[C@H](CNCc1ccc(C#N)s1)c1ccc(F)cc1 267217943 SDVAYIVDXHCJQJ-LLVKDONJSA-N 274.364 3.652 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CCc2ccccc21)OCC 270019619 IMLJUOSZQNTHGL-IAGOWNOFSA-N 287.403 3.504 30 20 CHED Cc1ccoc1CN(C)[C@H](C)c1ccc(C#N)cc1 271048995 NQEYRTAHSHXJNU-CYBMUJFWSA-N 254.333 3.653 30 20 CHED C#CCCCCC(=O)Nc1ccc(N2CCCCC2)cc1 271546059 RKZFZCLQGXXBOY-UHFFFAOYSA-N 284.403 3.809 30 20 CHED N#Cc1c(N2CCC[C@@H]2c2cccs2)nc2ccccn12 272931708 SVHWLWKDHKNYIA-GFCCVEGCSA-N 294.383 3.609 30 20 CHED Cc1cc([C@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)ccc1F 274594058 FXIAYCNWFNNVQH-XGWLTEMNSA-N 272.367 3.867 30 20 CHED C=CCCN(C)C(=O)CCCCCc1cccs1 276017224 AIOSQOSSTBTDMW-UHFFFAOYSA-N 265.422 3.886 30 20 CHED Cc1cc([C@H](NCc2cc(C#N)n(C)c2)C2CC2)ccc1F 276586244 CPASKAKJNMGLGG-GOSISDBHSA-N 297.377 3.585 30 20 CHED CC(C)(C#N)CC(=O)N1CCCC[C@@H]1Cc1ccccc1 278319019 VDWIIOHUHQGBMU-MRXNPFEDSA-N 284.403 3.550 30 20 CHED CC(C)(C#N)CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 278321362 VOKRVXVFXGLLJH-OAHLLOKOSA-N 284.403 3.855 30 20 CHED CC(C)(C#N)CC(=O)NCCCCCc1ccc(F)cc1 278674891 CXIWIMLESLRAQP-UHFFFAOYSA-N 290.382 3.595 30 20 CHED CSc1ccccc1CN(C)Cc1ccc(C#N)s1 279593297 CUXVHAHORCMERB-UHFFFAOYSA-N 288.441 3.974 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1c[nH]c2ccccc12 281165993 XFFWMAZJXKPIFF-AWEZNQCLSA-N 270.376 3.571 30 20 CHED Cc1cc(Cl)nc(CNc2nc(C)cc(C)c2C#N)c1 281804796 GLKARFKTQGQYKO-UHFFFAOYSA-N 286.766 3.539 30 20 CHED C=CCSCCN[C@@H](CCCOC)c1ccc(F)cc1 282222561 HZCRFRUAEGRQKO-INIZCTEOSA-N 297.439 3.802 30 20 CHED C=C1CCN(C(=O)c2coc3ccc(CC)cc23)CC1 285454329 SWJYGWRAUGVKDM-UHFFFAOYSA-N 269.344 3.787 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@@H]2CCCC[C@H]2C)no1 289064025 GKMGPKWZYOJXRI-XJKCOSOUSA-N 278.396 3.844 30 20 CHED Cc1cc([C@@H](C)Nc2cccc(OCCCC#N)c2)no1 290689460 MNTSNJXICFXYKY-CYBMUJFWSA-N 285.347 3.839 30 20 CHED C=CCCSCc1cccc(Br)n1 291830232 FTLIVHPKMIUUAU-UHFFFAOYSA-N 258.184 3.653 30 20 CHED Cc1nc(C(C)C)oc1C(=O)N(CCC#N)CC(C)(C)C 292778068 LVFGVTCPHWOCBR-UHFFFAOYSA-N 291.395 3.508 30 20 CHED Cc1ccccc1C(C)(C)NCc1ccc(C#N)cc1 293036977 SALKRVRISKYCSH-UHFFFAOYSA-N 264.372 3.892 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)c1nc(C2CC2)no1 298855109 DTGGAYWUZBYGAG-CYBMUJFWSA-N 283.375 3.696 30 20 CHED CC(=O)c1ccc(C#N)c(NCc2ccc(F)cc2)c1 302044519 SXAGVJDTWGFJIW-UHFFFAOYSA-N 268.291 3.512 30 20 CHED N#Cc1cc(F)ccc1N[C@H]1CCCc2c(O)cccc21 302652605 CBYGLUNXJKLEOS-INIZCTEOSA-N 282.318 3.892 30 20 CHED CC(C)C[C@H]1CCN(Cc2cc(F)ccc2C#N)C1 307830117 JMKOGLPDAWAFRV-CYBMUJFWSA-N 260.356 3.565 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC2(C)C)c1 308189839 IPNDKCYVRQJSDF-AWEZNQCLSA-N 256.349 3.632 30 20 CHED N#Cc1cc(Cl)cc(OCC(=O)c2ccccc2F)c1 312225257 BKGWGTIOJCZFBK-UHFFFAOYSA-N 289.693 3.612 30 20 CHED CCC[C@H]1CCCCN1CCC(=O)Nc1cccc(C#N)c1 318062807 JFZRMJBZJUDUIF-KRWDZBQOSA-N 299.418 3.541 30 20 CHED CC(C)C1CCC(/N=C(/O)[C@H]2CCCC(O)=N2)CC1 328833963 WKUBSGYOBMDXSW-WXRRBKDZSA-N 266.385 3.667 30 20 CHED N=C(O)Nc1cccc(C/N=C(/O)[C@@H]2CC23CCCC3)c1 329988339 HALXYLGBZWDHRT-ZDUSSCGKSA-N 287.363 3.628 30 20 CHED C[C@@H](C1CCCCC1)N(C)/C(O)=N/Cc1cccc(C#N)c1 330412571 LKIYSXSXAIHHIG-AWEZNQCLSA-N 299.418 3.873 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1ccc2ncsc2c1 330475843 GPKPFWFBPQPKPG-OAHLLOKOSA-N 287.388 3.929 30 20 CHED CC(C)(C)n1cc(N/C(O)=N/CC2CCCCC2)cn1 330662198 RXWHPZMEBXWNOR-UHFFFAOYSA-N 278.400 3.544 30 20 CHED Cc1cc(C)cc(/C(O)=N/[C@@](C)(C#N)CC(C)C)c1 330755318 GAFJFZFMEFXYAL-MRXNPFEDSA-N 258.365 3.936 30 20 CHED N#CC1(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1 332770986 RIHNQXSLIKJTLV-RBSFLKMASA-N 274.408 3.545 30 20 CHED C=CCC1(C(=O)N2CCC(F)(F)[C@H](C)C2)CCCC1 336306863 LHBIVPFTHQDYOQ-GFCCVEGCSA-N 271.351 3.627 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc2nc(C)[nH]c12 338573316 HRDNBBZIGLMTPG-UHFFFAOYSA-N 285.391 3.690 30 20 CHED C=C(C)[C@@H](CC(=O)N1C[C@H](C)c2ccccc21)OCC 339418619 FBQCYPPWCCBKFL-XJKSGUPXSA-N 273.376 3.508 30 20 CHED C=CC[C@@H](CC)NC1CCC2(CCOCC2)CC1 343499115 HEWHIXZTHZIHCD-CQSZACIVSA-N 251.414 3.670 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1 345378619 JOIPFCPOBHNRNI-DOTOQJQBSA-N 289.419 3.871 30 20 CHED CC(C)(CCC#N)CNC(=O)CCC1CCCCC1 346030180 ZWAFKKSWWHONSB-UHFFFAOYSA-N 264.413 3.793 30 20 CHED CCN(CCC#N)Cc1cc(F)c(C(F)(F)F)cc1F 347046055 GNVNZOJGOHAUIV-UHFFFAOYSA-N 292.251 3.719 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCC[C@H]1CCCF 348208983 VTAWFZIFGGGNJZ-KBPBESRZSA-N 254.393 3.824 30 20 CHED CCN(Cc1ccccc1Cl)[C@@H](C)CCC#N 351620720 QTTPBCYTUZNSMG-LBPRGKRZSA-N 250.773 3.854 30 20 CHED COCCC1(CN[C@H]2CCc3ccc(C#N)cc32)CCCC1 353258790 CZRJWWGMKUNUDV-SFHVURJKSA-N 298.430 3.732 30 20 CHED CC(C)[C@H](NCc1cccc(C#N)c1)c1ccc(F)cn1 353507594 PIOHDPKTIVZTST-KRWDZBQOSA-N 283.350 3.579 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1CC[C@H](C)O1 354892804 LYDBHXNVHPOGGB-MAUKXSAKSA-N 286.419 3.584 30 20 CHED C=CCCC1(C(=O)Nc2ccc(COCC)cc2)CC1 356249603 GRLMENATWYQJFW-UHFFFAOYSA-N 273.376 3.908 30 20 CHED C=CCCOCCCCc1nc([C@@H]2CCCCS2)no1 357575079 ZCIWRDVOEUBMDJ-ZDUSSCGKSA-N 296.436 3.943 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 359392055 SJAIBEFIIDKVBU-HRCADAONSA-N 274.408 3.521 30 20 CHED CCn1cc(N[C@H]2CCCCc3cc(C#N)ccc32)cn1 360882526 FBUGAICSUOQAJH-KRWDZBQOSA-N 280.375 3.654 30 20 CHED C=C(CC)CN1CCC(n2c(C)nc3ccccc32)CC1 361347762 YQUQSHHVBKMGAJ-UHFFFAOYSA-N 283.419 3.948 30 20 CHED C=CCNC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 361853714 DFBKACNMBDHOPQ-CQSZACIVSA-N 280.799 3.912 30 20 CHED C=CCC[C@@H](NCC1(c2ccccn2)CCC1)C1CC1 367713204 QSUJHQLZMNUBOH-MRXNPFEDSA-N 270.420 3.838 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@H](c2ccco2)C1 367750024 PJHKAECJWPHLPP-KGLIPLIRSA-N 276.380 3.523 30 20 CHED COc1ccc(C)cc1CN1CCC(CCC#N)CC1 399302592 NVNANACZUSARAI-UHFFFAOYSA-N 272.392 3.519 30 20 CHED N#Cc1ccc(OCCOCC2CC2)c2ccccc12 400704782 OCAQGFHJTGPVTF-UHFFFAOYSA-N 267.328 3.517 30 20 CHED C[C@@H]1CCCC[C@@H]1CNCc1ccc(C#N)c(F)c1 404111926 JXMFBWMHTDHWKD-IUODEOHRSA-N 260.356 3.613 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)Cc1ccccc1OC 410132550 XAPJCVPCVWDTQV-GDBMZVCRSA-N 289.419 3.735 30 20 CHED CCC1(C(=O)Nc2ccc(CC#N)cc2Cl)CCC1 411012001 GCASARGDJHTJBU-UHFFFAOYSA-N 276.767 3.925 30 20 CHED CC(C)N1CCC(N(C)CCC2(C#N)CCCCC2)CC1 411223760 IBKCMYDBHOPRDP-UHFFFAOYSA-N 291.483 3.655 30 20 CHED CCC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412189071 XCFXWMWKBSGCSG-FHLIZLRMSA-N 296.414 3.700 30 20 CHED N#CCCSCc1cc([N+](=O)[O-])ccc1C(F)(F)F 413010974 BWDRJUWVVATYGG-UHFFFAOYSA-N 290.266 3.760 30 20 CHED CC[C@H](N[C@@H](C)C1(OC)CCC1)c1ccc(C#N)cc1 414312499 WPSHZDYXXKCJNN-BBRMVZONSA-N 272.392 3.557 30 20 CHED CC(C)C[C@@H](C)CC(=O)N1CCc2cc(C#N)ccc21 416016060 RBYJMMNHHXVWMV-CYBMUJFWSA-N 270.376 3.520 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)NCC2(C#N)CCC2)c1 419649764 QKXWPWUGGKQWDH-INIZCTEOSA-N 297.402 3.535 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccsc2Cl)no1 420499876 CIUAPVQKQPHFGQ-CYBMUJFWSA-N 298.795 3.932 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCCC1CCOCC1 421186865 GKKAWGXJULKYNY-UHFFFAOYSA-N 279.767 3.716 30 20 CHED C=C(C)C(C)(C)C(=O)N(CCC(F)(F)F)CC1CC1 424711216 IXEAQHXHRCTSEJ-UHFFFAOYSA-N 277.330 3.780 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 424875940 GZGIMSMMUDYJHJ-HOCLYGCPSA-N 287.403 3.517 30 20 CHED Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C)ccc(C#N)c1C#N 425622536 NXSIBVBNNCVANC-BXUZGUMPSA-N 281.359 3.503 30 20 CHED C=CCn1cccc1C(=O)N(C)C/C(C)=C/c1ccccc1 427220211 SVPVCRRSBUXIST-JQIJEIRASA-N 294.398 3.850 30 20 CHED C=C(C)CNC(=O)c1cc(Cl)ccc1OC1CCCC1 427950358 MYVZCLLYFHJSCV-UHFFFAOYSA-N 293.794 3.967 30 20 CHED C=CCC(C)(C)CNC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 432553836 BMFKIIOYHSJGIL-GDBMZVCRSA-N 286.419 3.991 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccccc1)C1CC1 436312539 KPJSWHNIPYWXNO-SQNIBIBYSA-N 271.404 3.709 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cnn([C@H](C)CC)c1C 439404736 BCPFTBARHIRUNO-YPMHNXCESA-N 278.400 3.639 30 20 CHED C[C@@H](Nc1nc2c(cc1C#N)CCC2)c1ccc(F)cc1F 439615244 BPDTXNDAHRRHQJ-SNVBAGLBSA-N 299.324 3.893 30 20 CHED N#Cc1cccnc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 439615499 SHIJELQAXQVOAS-JQWIXIFHSA-N 283.297 3.734 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C1 442761303 BWYDQJCWKQRAFC-SMDDNHRTSA-N 287.794 3.646 30 20 CHED C=CCCCCCSCC(=O)Nc1nc(C)cs1 443476388 UDSVCWIWWFRIRG-UHFFFAOYSA-N 284.450 3.870 30 20 CHED Cc1cc(CNCCc2c[nH]c3ccccc23)ccc1C#N 443972009 LUIYBFHCHKMVIR-UHFFFAOYSA-N 289.382 3.680 30 20 CHED Cc1cc(C)cc(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 447912430 JZAVWCFJAUXEOR-RTBURBONSA-N 298.430 3.731 30 20 CHED C=CCC1(C(=O)NCCc2c(F)cccc2F)CCCC1 449778492 WIVVKZBWAYBLRW-UHFFFAOYSA-N 293.357 3.760 30 20 CHED C=CCC1(C(=O)N[C@H](C)CC(C)(C)OC)CCCCC1 449952872 WVIPRJFBXSTJDF-CQSZACIVSA-N 281.440 3.833 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)c(Cl)c1Cl 450116356 RGZDHPZEZPLVEM-SNVBAGLBSA-N 299.201 3.970 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc(C#N)s1 452508498 IMQNQAWIYVDJOE-OAHLLOKOSA-N 276.405 3.661 30 20 CHED C=C(C)CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 452715072 BUYGKSQCVFJXMS-AWEZNQCLSA-N 283.371 3.690 30 20 CHED C=C(C)CCNC(=O)C[C@@H](C)c1ccc(F)cc1F 452717229 KPQQTWKADQEDHL-LLVKDONJSA-N 267.319 3.541 30 20 CHED C=C(C)CCNC(=O)[C@H](C)Oc1cccc2ccccc12 452717273 KRSHMAWGFSQJMZ-AWEZNQCLSA-N 283.371 3.690 30 20 CHED C=CCCc1noc([C@H]2CCSc3ccccc32)n1 453234407 KWTVQXAQOVJNAG-LBPRGKRZSA-N 272.373 3.816 30 20 CHED C=CCOCc1nc(-c2cccc(C(C)(F)F)c2)no1 453355487 LNZFAGYLXVAPPU-UHFFFAOYSA-N 280.274 3.551 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C)cc1Cl 454162578 GZXLIYIVONYVCR-KGLIPLIRSA-N 294.782 3.504 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 455307728 ISHMBHDNBFAQHZ-INIZCTEOSA-N 290.382 3.508 30 20 CHED C[C@H]1CCC[C@@H]1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 456031683 IUMKEPLOEFMGGY-WMLDXEAASA-N 298.430 3.679 30 20 CHED CC(C)CCCCC(=O)N(CCC#N)Cc1ccco1 457522348 ZBYCJMLYULSTQX-UHFFFAOYSA-N 276.380 3.738 30 20 CHED CN(C(=O)C[C@H](CC#N)c1ccccc1)C1CC(C)(C)C1 458177109 CQVACZVQWJIMNS-HNNXBMFYSA-N 284.403 3.721 30 20 CHED CC(C)C[C@H](CNc1c(Cl)cccc1C#N)N(C)C 462916807 JVSJVMONCQUZNR-CYBMUJFWSA-N 279.815 3.600 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)N[C@H](CC)CCC 463592583 HYGHQIHKPOWIMM-CYBMUJFWSA-N 291.391 3.569 30 20 CHED C[C@@H]1C[C@H]1CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 464397228 HSXQHQRMWXEAEJ-INWMFGNUSA-N 284.403 3.711 30 20 CHED CC[C@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)c1ccccc1 464476478 XLNPZVBOWJQGCS-JKSUJKDBSA-N 284.403 3.721 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H]2CC[C@@H](CC)O2)c1 464926480 LXKVKQJJCCGKAA-ZBFHGGJFSA-N 289.375 3.538 30 20 CHED Cc1ccnc(N2CCC[C@]2(C)Cc2ccccc2)c1C#N 466627661 MVOKNVSFYXISNM-LJQANCHMSA-N 291.398 3.863 30 20 CHED CC#CCCCC(=O)N(C)CC(C)(C)c1ccc(C)cc1 466653427 HMOOCZMBBLQLGE-UHFFFAOYSA-N 285.431 3.925 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 466976561 VXWPGGGQKZJBPZ-NSHDSACASA-N 298.333 3.567 30 20 CHED CC[C@H]1CCCC[C@H]1NCCc1cccc(C#N)c1 467449746 RNXAFDINYDDSEL-DLBZAZTESA-N 256.393 3.659 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Oc1cc(C)ccc1Cl 471696104 ZUNWBGKIOZJLIQ-CYBMUJFWSA-N 295.810 3.888 30 20 CHED C=C[C@H](CC(=O)N[C@@H]1CC[C@@H](C)C1)c1ccccc1 474111942 GFFRWVSHGMYPHD-IIAWOOMASA-N 257.377 3.651 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 479306847 LTUXLQBEZZXMIA-CQSZACIVSA-N 275.392 3.612 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@H]1CC[C@H](F)C1 483140489 PPOVWUUYOSMOLJ-KBPBESRZSA-N 276.355 3.817 30 20 CHED Cc1cc(CN(C)Cc2ccc(F)cc2F)ccc1C#N 486799014 HHUQTKCJOJWREL-UHFFFAOYSA-N 286.325 3.777 30 20 CHED CSCCCCCN=c1c(C#N)c[nH]c2ccc(C)cc12 487734089 AZKIHWMZZCAXNC-UHFFFAOYSA-N 299.443 3.782 30 20 CHED CC(C)(C)CCCCNC(=O)c1cccc(F)c1C#N 488320565 MGRSPDPDWYTGHF-UHFFFAOYSA-N 276.355 3.644 30 20 CHED CC(C)[C@@H]1N(c2ccc(Cl)c(C#N)n2)CC12CCC2 488494970 WSFDYJYKZCTPHD-AWEZNQCLSA-N 275.783 3.622 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1c[nH]c2c(C)cccc12 488881504 WNUINLYEUNBWFO-MRXNPFEDSA-N 296.414 3.976 30 20 CHED N#Cc1ccc(N2CCC[C@H](OCC3CC3)C2)cc1Cl 489883573 IQJHPPPAMDNYJE-HNNXBMFYSA-N 290.794 3.607 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 491743923 YLYCIRJZSMARBM-NSHDSACASA-N 299.374 3.611 30 20 CHED CCCc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 493623712 UHMRKWKZPWCFKN-UHFFFAOYSA-N 264.328 3.763 30 20 CHED C=CCCC[C@H](C)N[C@@H](CO)c1cccc(Cl)c1F 499941152 CGUKFNMFBQPXLP-FZMZJTMJSA-N 285.790 3.847 30 20 CHED Cc1ccc(C#N)c(N2CC[C@H](c3ccccc3)[C@@H](C)C2)n1 500290288 QPYIKDPMYUGDMH-KSSFIOAISA-N 291.398 3.892 30 20 CHED CCc1cc(OC)ccc1CNc1cccc(C#N)c1 500395713 IBBLCMKFMIZOFZ-UHFFFAOYSA-N 266.344 3.741 30 20 CHED CC(C)CCN1CC=C(c2ccc(C#N)cc2)CC1 502530862 NHRYTRULQOKFMQ-UHFFFAOYSA-N 254.377 3.693 30 20 CHED CC1(C)C(C(=O)N[C@H](C#N)c2ccccc2Cl)C1(C)C 505667603 ZZWVUZIJJPPUBN-GFCCVEGCSA-N 290.794 3.703 30 20 CHED N#Cc1ccc(Nc2ccc(N3CCCCC3)nc2)cc1 507178591 LWAHNLAYBKXYAH-UHFFFAOYSA-N 278.359 3.687 30 20 CHED C=CCC[C@H](O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 511843603 KFDUMPMCJTUIIF-OKYOBFRVSA-N 285.431 3.582 30 20 CHED N#Cc1cnc(Sc2ccc(F)cc2)c(Cl)c1 513607608 GJZBAAOOVKZPDC-UHFFFAOYSA-N 264.712 3.897 30 20 CHED CC(C)(C)C[C@@H](N=c1ccc(C#N)c[nH]1)c1ccccc1 525642232 UGGVOXDMZRLCNJ-MRXNPFEDSA-N 279.387 3.965 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C)c(OC)c1C 527892509 JZWYHJOLJFBSEW-UHFFFAOYSA-N 274.364 3.581 30 20 CHED C[C@H]1CC[C@@H](c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)O1 528229652 DLBKIVNDYQDIIH-FZMZJTMJSA-N 297.358 3.778 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CCCC23CC3)c(Cl)c1 529434563 PZLHSKKKFRXPHV-GFCCVEGCSA-N 288.778 3.925 30 20 CHED N#Cc1ccc(F)c(CN2CCCC23CCCCC3)c1 535381243 BGLGYJNPKFARKB-UHFFFAOYSA-N 272.367 3.996 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Cc1cccc(Cl)c1 535896331 KKLYXCVMJOWJJZ-ZDUSSCGKSA-N 279.811 3.943 30 20 CHED C=CC1CCN(C[C@@H](C)c2ccc(OC)cc2)CC1 537180614 JGBXYRBSMSEHTG-CQSZACIVSA-N 259.393 3.697 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1C 538265014 NSDHAKHUUJXTCH-HZPDHXFCSA-N 281.440 3.787 30 20 CHED N#CC1(CN2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 539452771 IJDSDJUZQWDTAL-CYBMUJFWSA-N 297.427 3.779 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccc(F)cc1)C1CCCC1 540411341 ALNQHLFVOADPBL-MSOLQXFVSA-N 291.410 3.974 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NC1(C#N)CCCCC1 541582085 GEWGQISWGBUXOF-ZDUSSCGKSA-N 264.413 3.791 30 20 CHED CS[C@H](CN[C@@H](C)c1cccc(C#N)c1)C(C)(C)C 543426265 MCODKMGGXYYQKO-SWLSCSKDSA-N 276.449 3.987 30 20 CHED N#Cc1cccc(C2(NCCc3ccc(F)c(F)c3)CC2)c1 551707902 CIROKTFVNPAIIJ-UHFFFAOYSA-N 298.336 3.658 30 20 CHED N#Cc1ccc(NCCc2nc3ccccc3[nH]2)cc1Cl 558888102 VTQUJYHIVJAPSY-UHFFFAOYSA-N 296.761 3.743 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc2c1ccn2C 559451418 ZKRONNQDRDYTCU-UHFFFAOYSA-N 285.391 3.902 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(O)nc(C3CC3)c2)n1 560024956 YOUMCCSKMSJTNI-UHFFFAOYSA-N 285.347 3.568 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2cccc(C#N)c2[N+](=O)[O-])o1 560193613 VYFQNTXLENDTID-ZWNOBZJWSA-N 297.314 3.795 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cc(F)ccc1Cl 562851766 VLBHGULSWJKUQX-UHFFFAOYSA-N 270.735 3.813 30 20 CHED N#Cc1nccc(S[C@@H]2CCCc3ccccc32)n1 565228521 ISLGBTJDNMXEBH-CYBMUJFWSA-N 267.357 3.518 30 20 CHED C[C@H]1CC=C(C(=O)N[C@](C)(C#N)C2CCCCC2)CC1 565875204 FQQLMIYXCCPMGX-SUMWQHHRSA-N 274.408 3.712 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(C)cc3c[nH]nc23)n1 570231774 XQFCLHRLUHQKCF-UHFFFAOYSA-N 282.347 3.775 30 20 CHED CC(C)CCc1noc(-c2ccc(C#N)c(Cl)c2)n1 573365033 RJMXINDSYYOIRS-UHFFFAOYSA-N 275.739 3.850 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)NCCc1cccc(C#N)c1 576604391 RYCHFWLZFSBMPK-KRWDZBQOSA-N 298.430 3.823 30 20 CHED CC#CCNC(C)(C)c1cccc(C(F)(F)F)c1 577114967 KOZHZBJZJSXPSB-UHFFFAOYSA-N 255.283 3.553 30 20 CHED C[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccccc1 578162036 GZPHPTNKGKCYRG-KSSFIOAISA-N 284.403 3.769 30 20 CHED CC[C@H](NC[C@H](C#N)CCC#N)C(C)(C)c1ccccc1 583626352 OCJGSTADKHTPKP-RDJZCZTQSA-N 283.419 3.776 30 20 CHED Cc1ccc(CC(=O)N[C@](C)(C#N)C2CCCCC2)cc1C 583948266 BEMQHCLKVIZUNQ-LJQANCHMSA-N 298.430 3.825 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)CCCCCC#N)C1 588161361 FXLGMGHMOHRXIV-OAHLLOKOSA-N 264.413 3.745 30 20 CHED N#CCCCCCC(=O)Nc1ccccc1Br 588808698 STLUAADOEWJLIY-UHFFFAOYSA-N 295.180 3.862 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(F)c1 589800520 GZUHGOQTIUZADL-AWEZNQCLSA-N 296.345 3.905 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)N[C@@H](C)c1cccc(C#N)c1 590807942 ZURJIPAUSFOJQR-STQMWFEESA-N 287.407 3.743 30 20 CHED CSCC1(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 593003684 VLRSBLVMLIAXHP-UHFFFAOYSA-N 294.807 3.683 30 20 CHED Cc1ccc(C2CC(NCCc3ccc(C#N)cc3)C2)cc1 595055897 MDEIJLBYASMXGI-UHFFFAOYSA-N 290.410 3.945 30 20 CHED CC(C)(C)OCCCN[C@@H]1CCCc2cc(C#N)ccc21 595076262 GLFHDQMWHNEDNX-QGZVFWFLSA-N 286.419 3.730 30 20 CHED N#CC[C@@H]1CCCN(Cc2csc(-c3ccco3)n2)C1 595610801 CLVAJVSZGBXXDI-LBPRGKRZSA-N 287.388 3.529 30 20 CHED N#CC[C@H]1CCCN(CCSCc2ccccc2)C1 595622526 BRYLTLLXMKRWLA-OAHLLOKOSA-N 274.433 3.545 30 20 CHED CC(C)c1ccc2ncnc(N3CCC(CC#N)CC3)c2c1 596188811 AUQNTEHBHHFJEO-UHFFFAOYSA-N 294.402 3.883 30 20 CHED N#CCC1(COc2ccc(-c3noc(C4CC4)n3)cc2)CC1 596262551 GJVFHIMSBIRNJC-UHFFFAOYSA-N 295.342 3.687 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1cc(C(C)(C)C)ncn1 596280663 AEHZBSWODOVWDG-CYBMUJFWSA-N 294.402 3.843 30 20 CHED Cc1cccc2nc(N3CCC[C@@H](CC#N)C3)sc12 596331022 WLQVKRUOOJFYMW-LBPRGKRZSA-N 271.389 3.735 30 20 CHED CCCc1ccccc1NC(=O)N1CCC[C@@H](CC#N)C1 596664237 AZDPXHYBUDMVAL-AWEZNQCLSA-N 285.391 3.797 30 20 CHED CC(C)COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 597173930 NWSIYFUXGNTDCG-INIZCTEOSA-N 286.419 3.847 30 20 CHED CCN(C(=O)CCCCCc1cccs1)[C@H](C)C#N 598360892 XPKWHSHOEJVMSR-CYBMUJFWSA-N 278.421 3.612 30 20 CHED CC(C)CC1(NC(=O)c2ccc(Cl)c(C#N)c2)CC1 598403630 HDWIEEYWQFQEPI-UHFFFAOYSA-N 276.767 3.520 30 20 CHED C[C@H](CSC[C@@H](O)CC(C)(C)C#N)c1ccccc1 598700584 CTBSPULUUWERMK-HIFRSBDPSA-N 277.433 3.824 30 20 CHED COCCOCc1ccc(NCCCC(C)(C)C#N)cc1 600588642 WSPLXSYIWJIRQR-UHFFFAOYSA-N 290.407 3.591 30 20 CHED Cc1ncc([C@H](C)Nc2ncc(C#N)cc2Cl)s1 601227612 GFBAOCVXRAUCTD-ZETCQYMHSA-N 278.768 3.545 30 20 CHED N#CC1(NC(=O)C/C=C/Cc2ccccc2)CCCCC1 602086762 SDHQDNLRJNYXCQ-AATRIKPKSA-N 282.387 3.518 30 20 CHED CSc1ccccc1N[C@H](C)CC1(C#N)CCOCC1 602489709 NKZYJVOXKDIFIS-CYBMUJFWSA-N 290.432 3.919 30 20 CHED N#Cc1cccc(CN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 602648906 POGRGZOMZOFFAG-GDBMZVCRSA-N 295.361 3.518 30 20 CHED C=CCN(C(=O)[C@H]1Cc2ccccc21)c1ccccc1 607030079 LMEAYDIXXDZOAQ-KRWDZBQOSA-N 263.340 3.546 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1Cc1ccccc1C#N 610001855 HHJRGMJALQSTGC-PBHICJAKSA-N 256.393 3.959 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)C1 610975282 AEDRYAIYWWIOPJ-CABCVRRESA-N 296.414 3.880 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C1(CC(C)C)CCCC1 611251675 WSPVWEFQWXRQMO-CQSZACIVSA-N 264.413 3.647 30 20 CHED C[C@H](NC(=O)[C@H](C)c1ccccc1)c1cccc(C#N)c1 612045959 UASDYKUGQIDWFF-KGLIPLIRSA-N 278.355 3.539 30 20 CHED CCCC[C@@H](CC)CNC(=O)N1CCC[C@](C)(C#N)C1 612098137 DYUNULUYXRLMHN-GDBMZVCRSA-N 279.428 3.538 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2occc2-c2ccccc2)C1 612365962 CAAAYGQQTNLDQP-SFHVURJKSA-N 294.354 3.712 30 20 CHED CC[C@H](C#N)SCc1ccc(Br)cc1 614797276 MJSGAIITMRRRDS-LLVKDONJSA-N 270.195 3.984 30 20 CHED C=CCCNC(=O)CCCCCc1ccc(F)cc1 617617661 PCCIUNRZAGTKMS-UHFFFAOYSA-N 263.356 3.621 30 20 CHED Cc1cc(CN[C@@H]2CSCc3ccccc32)ccc1C#N 618192019 XCDQNSSKYCCISW-GOSISDBHSA-N 294.423 3.944 30 20 CHED CCN(C(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CCCC1 618850428 IYBMZCXSPXMJED-KRWDZBQOSA-N 297.402 3.520 30 20 CHED Cc1ccc2c(c1)CN(c1ccc3cc(C#N)ccc3n1)C2 619505720 KTSWRUNSKLVSAG-UHFFFAOYSA-N 285.350 3.935 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCc2cc(C#N)ccc21 619554200 WGSPGONFOSYCDV-QRQLOZEOSA-N 296.414 3.506 30 20 CHED C=CCCOCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 620185178 KOQGQANWWJFOTD-OAHLLOKOSA-N 293.794 3.596 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cccc(OC)c1C 626745274 RROMIPAPSLGUEO-LBPRGKRZSA-N 276.380 3.870 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(Cl)cccc1OC 640717426 AURUUVVIOMPMTC-UHFFFAOYSA-N 282.771 3.682 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3ccco3)C2)CCCC1 648924676 KDMTYOOFZUUMAX-CQSZACIVSA-N 273.376 3.732 30 20 CHED C=CCCC(C)(C)NCc1cnn(Cc2ccccc2)c1 657805867 VAQNLWPCDJAIKK-UHFFFAOYSA-N 283.419 3.766 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@H](C)Cn1ccnc1C 657868639 CHUQWCRAEKVZGW-DJIMGWMZSA-N 275.440 3.552 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCSC1 658016305 WMLCPXMHPVELBM-ZNMIVQPWSA-N 253.455 3.854 30 20 CHED C=CCCN[C@H](c1cccc(OC(C)C)c1)C(F)F 658115953 XXNNDJCJWVSRTA-CQSZACIVSA-N 269.335 3.946 30 20 CHED C=CCCN[C@H](C)c1sc(-c2cccnc2)nc1C 658116951 PCYWVKZBVRHPTQ-LLVKDONJSA-N 273.405 3.740 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1C)[C@H](C)COC 665134672 NJJNAQGFXCSIAM-LLVKDONJSA-N 296.798 3.703 30 20 CHED C=C(C)CN(C)C(=O)Nc1cc(Cl)cc2cccnc12 679227901 LIHLRAJKXVTARC-UHFFFAOYSA-N 289.766 3.928 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCCC[C@@H](C)C1 685546063 SFHFNINXVZJBMW-KGLIPLIRSA-N 276.428 3.604 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1cccc(F)c1F 702264868 WZLOIVSFCBIJCN-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2ccccc2Cl)c1 720268218 NDXPDPPJFXOFRP-UHFFFAOYSA-N 274.682 3.603 30 20 CHED COc1ccc2cc(C=NNC3CCCC3)ccc2c1 727652720 WJIWZRJACCBITH-UHFFFAOYSA-N 268.360 3.715 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(O)c(C)c1 728226297 MNUQSDXDWOFQDJ-CYBMUJFWSA-N 268.360 3.775 30 20 CHED C=CCCOC(=O)COc1ccccc1Cc1ccccc1 729073306 PDVWRBVJPOGWHE-UHFFFAOYSA-N 296.366 3.776 30 20 CHED C=CCCOC(=O)c1cc2cc(F)ccc2s1 729073586 DJJOZDNKJQNPKS-UHFFFAOYSA-N 250.294 3.773 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1cc(C)cc(C)c1 730430588 ROAYMSFREPMYSX-UHFFFAOYSA-N 282.343 3.838 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCc1ccc(C#N)cc1 734056756 SRDBYHSHYRFHFK-ZDUSSCGKSA-N 271.360 3.818 30 20 CHED C#Cc1cccc(NC(=O)C[C@H](C)c2cccc(F)c2)c1 734770887 AIZHZNQPZCSPHI-ZDUSSCGKSA-N 281.330 3.939 30 20 CHED N#Cc1ccccc1COC(=O)c1cnc2ccsc2c1 744089727 ZLYRWROXYJRSMW-UHFFFAOYSA-N 294.335 3.525 30 20 CHED CC#CCOC(=O)CSc1cc(Cl)ccc1Cl 744476772 WVZSWANZKSCMDK-UHFFFAOYSA-N 289.183 3.652 30 20 CHED CCOc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)cc1 747061947 PWLYMGSPQQAGMY-UHFFFAOYSA-N 299.330 3.748 30 20 CHED COCCON=C(C)c1cccc(-c2ccccc2)c1 748791677 WLARXYQBXYWJPV-UHFFFAOYSA-N 269.344 3.741 30 20 CHED Cc1ccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)cc1C 750782734 FFNCVXVVXSOIMZ-QGZVFWFLSA-N 293.366 3.843 30 20 CHED COc1ccc(NN=Cc2ccc(C)c(C)c2)cc1 750945106 DXAPFXHGFMFPOI-UHFFFAOYSA-N 254.333 3.758 30 20 CHED CC(=NNc1ccc(F)cc1C)c1ccc([N+](=O)[O-])cc1 750946058 MZMLYRMYZYCAJH-UHFFFAOYSA-N 287.294 3.878 30 20 CHED CCCCCCCCNC(=O)/C=C\c1cncc(F)c1 755146718 ILVDCVMOSRBMGN-HJWRWDBZSA-N 278.371 3.711 30 20 CHED Cc1nn(C)c(Cl)c1/C=C1\CCCC(C)(C)C1=O 757533382 BYEIINVJIIDUAH-CSKARUKUSA-N 266.772 3.545 30 20 CHED Cc1cc(NN=C[C@@H]2C[C@H]2C)ccc1Br 758374784 JBBPFSRCOOZQKI-SCZZXKLOSA-N 267.170 3.811 30 20 CHED CC(C)c1ncc(/C=C\C(=O)c2cnn(C(C)C)c2)s1 758432379 AARMJUIZFRWITC-WAYWQWQTSA-N 289.404 3.940 30 20 CHED C=CCC(CC=C)C(=O)NCC(CC)(CC)SC 758504798 MLUFJBCVRAHSAQ-UHFFFAOYSA-N 269.454 3.793 30 20 CHED N#Cc1cc(F)ccc1COC(=O)c1cc(Cl)cs1 758749676 DITORIYJTUDBEX-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C#CCCCC(=O)OCc1cccc(Br)c1C 758892109 XBSGRZPEYOXPHG-UHFFFAOYSA-N 295.176 3.604 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)CCOc2ccccc21 759083051 GZUACQOPRCLDRO-VQHVLOKHSA-N 291.759 3.845 30 20 CHED CCC[C@@H](C(=O)Nc1ncc(C#N)s1)c1ccccc1 759133604 FFSXSXZWDUXQSX-CYBMUJFWSA-N 285.372 3.537 30 20 CHED C#CCCCC(=O)OC/C=C\c1ccc(Cl)cc1 759182522 MFKHEVWKGBRUGR-WAYWQWQTSA-N 262.736 3.700 30 20 CHED C/C(=C\C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 759357274 JGYOMDKELVRNDA-UKTHLTGXSA-N 295.313 3.844 30 20 CHED CC(=NNc1ncc(F)cn1)c1ccc(C(C)C)cc1 760246507 KCQHLPHVPBMEKD-UHFFFAOYSA-N 272.327 3.575 30 20 CHED N#Cc1ccc(CNN=C2CCc3ccc(Cl)cc32)cc1 762452310 MKVJGBCOOCWBQS-UHFFFAOYSA-N 295.773 3.652 30 20 CHED CC[C@@H]1CCCC1=NNc1ncnc2ccsc12 764840478 JBLRPHTUPRYZTE-SECBINFHSA-N 260.366 3.669 30 20 CHED CC#CCCn1nc(C)nc1-c1ccc2ccccc2c1 764937097 OPRZDRBZXSOIAP-UHFFFAOYSA-N 275.355 3.820 30 20 CHED CCC(CC)NN=C(C)CSc1ccccc1[N+](=O)[O-] 765577740 PSEIPLGDUFUIPK-UHFFFAOYSA-N 295.408 3.841 30 20 CHED C[C@H](C#N)CNN=C1CCC(C2CCCCC2)CC1 766452971 LJGYDIMFWKKYHW-AFYYWNPRSA-N 261.413 3.862 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C#N)c(C)c2)ccc1O 766489800 GOBXMQSWVACJOF-DAXSKMNVSA-N 277.323 3.777 30 20 CHED C#CCC(C)(C)C(=O)NCc1ccc(C(C)(C)C)cc1 767058638 YFUXDSIRAAGIJU-UHFFFAOYSA-N 271.404 3.650 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1CCCc2sccc21 767340124 ZPFRGCCBFPPZKG-VGSSETLESA-N 287.384 3.959 30 20 CHED Cc1cc(CNC2(c3cccc(C#N)c3)CC2)c(C)o1 767394009 XESKJOOMFZINBO-UHFFFAOYSA-N 266.344 3.547 30 20 CHED Cc1cc(C=NNc2ccc(OC(F)F)cc2)c(C)o1 767907443 DRLKUJQTTWCNIQ-UHFFFAOYSA-N 280.274 3.944 30 20 CHED C#CCOc1ccc(CN(C)[C@@H](C)c2cccs2)cc1 768418113 UGZXAUHNQMQHFC-AWEZNQCLSA-N 285.412 3.953 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@H](F)c1ccccc1 769284634 VAMBMYUXMOHHFY-MRXNPFEDSA-N 299.301 3.573 30 20 CHED CC(=NNc1ccccc1F)c1ccccc1N(C)C 769570343 PNKJUFZPLBTLHH-UHFFFAOYSA-N 271.339 3.728 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Oc1ccc(C#N)cc1F 769739415 OMJMFWBQRBFFQH-NSHDSACASA-N 275.323 3.819 30 20 CHED CCSc1cccc(C=NNCc2ccc(C#N)cc2)c1 769799101 HHLNVXOZLXMLLZ-UHFFFAOYSA-N 295.411 3.794 30 20 CHED Cc1c(C(=O)OC[C@H](C)C#N)sc2cccc(F)c12 770930194 CTKMKVQEOUXTCY-MRVPVSSYSA-N 277.320 3.665 30 20 CHED C=CCN(C(=O)[C@@H]1CCCc2sccc21)C(C)C 771290388 VMRJKNMLKXIHAD-CYBMUJFWSA-N 263.406 3.591 30 20 CHED C#CCCCCC(=O)OCc1ccccc1C(C)(C)C#N 773647579 GKNCPICDPFPEEH-UHFFFAOYSA-N 283.371 3.725 30 20 CHED CCCCCCCC[C@@H](O)CCC(=O)N1CCCC1 773694696 YIJLLGSHAMBBPO-OAHLLOKOSA-N 269.429 3.501 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1cccc(F)c1F 776256970 IGRWCEAJMDERPJ-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CC[C@@H](Oc1cccc(C)c1)C(=O)OCCC(C)(C)C#N 776394204 UJDKDDOOSNTGSM-OAHLLOKOSA-N 289.375 3.636 30 20 CHED CCNc1ccc(C#N)cc1NCCOc1cccc(F)c1 776849320 JUAVMHBGMGCTFC-UHFFFAOYSA-N 299.349 3.620 30 20 CHED FC(F)Oc1cccc(C=NOCCC(F)(F)F)c1 777455862 MPMWOILGHDTPOX-UHFFFAOYSA-N 283.196 3.591 30 20 CHED FC(F)(F)CCON=C1CCN(C2CCCCC2)CC1 777458725 KTSZGYSYNAEBJA-UHFFFAOYSA-N 292.345 3.740 30 20 CHED Cc1ccc(F)cc1/C=C\C(=O)c1ccc(O)c(F)c1 777917163 ZAEUYLRJGGTVDK-UTCJRWHESA-N 274.266 3.875 30 20 CHED C/C=C\C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 777973602 QCSMULSRSPCCHB-KXFIGUGUSA-N 278.311 3.865 30 20 CHED C#CCCCCCC(=O)N(Cc1ccccc1F)C1CC1 779755711 VJWKGUWSSUHMCD-UHFFFAOYSA-N 287.378 3.900 30 20 CHED Fc1ccc(C=NNc2ccc3[nH]ncc3c2)cc1Cl 779811692 JDKWRMLHTSZCNR-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C[C@H](CC=NNc1ncncc1Cl)c1ccccc1 780281016 XPFKTCDBWMTXTF-LLVKDONJSA-N 274.755 3.722 30 20 CHED O=C1/C(=C/c2ccccc2)CCOc2cc(F)ccc21 781556302 WRHILDAVMOYCAO-JLHYYAGUSA-N 268.287 3.875 30 20 CHED COc1cc(F)cc(NN=Cc2ccc3cnccc3c2)c1 782248999 GPJGHDGRDRWLSO-UHFFFAOYSA-N 295.317 3.829 30 20 CHED C=CCCCCCOC(=O)c1c(C)noc1C(F)F 783945858 CGAMHRUZLWASCL-UHFFFAOYSA-N 273.279 3.824 30 20 CHED C=CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C 784052509 WCLPBOUUEJTGEQ-UHFFFAOYSA-N 290.363 3.755 30 20 CHED C[C@H](OC(=O)/C=C/c1cccc(O)c1)c1cccc(C#N)c1 784062560 SSVDPZYSEXGJJX-XEHSLEBBSA-N 293.322 3.581 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@H](F)C(C)C)c1 784088176 ACYMJOTYDUJSAH-CQSZACIVSA-N 265.328 3.574 30 20 CHED C=CCN(CC1CCC2(CC1)OCCO2)c1ccccc1 787782651 ZGAGERRYCBCUGW-UHFFFAOYSA-N 287.403 3.612 30 20 CHED CC(=NNC[C@H](C)C#N)c1ccc(OC(C)C)c(Cl)c1 789036482 BZLBRPLPRMOGOW-LLVKDONJSA-N 293.798 3.600 30 20 CHED CC(=NNCCc1ccncc1)C(C)(C)c1ccc(F)cc1 789085179 IHYQNHGWCSKBIQ-UHFFFAOYSA-N 299.393 3.707 30 20 CHED CC(C)C[C@H]1CCCC(=NNCCc2ccccn2)C1 789124705 KILANFBJTLJRJV-OAHLLOKOSA-N 273.424 3.806 30 20 CHED C=CCCCC(=O)O[C@@H]1CCOc2c(C)cccc21 789498725 TZJSHBVPJMUFJP-CQSZACIVSA-N 260.333 3.718 30 20 CHED CC(C)CNN=Cc1ccc(-c2cccc(F)c2F)o1 790170944 SYROLLKEORBLEL-UHFFFAOYSA-N 278.302 3.804 30 20 CHED CC(=NNc1ncccc1C)c1ccc(Cl)s1 790187526 XBFKGBSXQPETPV-UHFFFAOYSA-N 265.769 3.941 30 20 CHED Cn1ccnc1NN=C1CC=C(c2ccc(F)cc2)CC1 790302342 QEFCLAFSUDQTFC-UHFFFAOYSA-N 284.338 3.595 30 20 CHED C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1cc(C)sc1C 791013514 QYZXEJGRXSSOEX-AAEUAGOBSA-N 278.421 3.527 30 20 CHED C=CCC1(C(=O)OCc2ccc(C#N)cc2C)CCC1 791564245 DQUSVQYPTNFVSU-UHFFFAOYSA-N 269.344 3.656 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCCC1CCC1 792129575 NEWGDGGNXMWRIK-UHFFFAOYSA-N 286.419 3.965 30 20 CHED C[C@@]1(C=NNc2ccc(OC(F)F)cc2)CCCS1 793005525 WBWXFWGLFYMXSP-ZDUSSCGKSA-N 286.347 3.971 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc(C(F)F)cc2)c1 794458584 YTOFXRYJRGDCCO-UHFFFAOYSA-N 291.257 3.978 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2ccc(F)cc2C)[C@@H]1C 794523533 IQWLIJSAVXIYNZ-VXGBXAGGSA-N 292.354 3.511 30 20 CHED CC(C)C1CCC(C=NN[C@H](CO)c2ccccc2)CC1 794937227 WBEJCZLWIJOYPU-LEOMRAHMSA-N 288.435 3.758 30 20 CHED COCCCON=C(CC(C)(C)C)c1ccccc1 795045702 WUDWGRKSEOPOSU-UHFFFAOYSA-N 263.381 3.880 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1ccccc1Cl 796144958 UFDTUBKDHQUCQC-VIFPVBQESA-N 275.691 3.723 30 20 CHED CCCCCCCN[C@@H](C)c1c(F)cncc1F 796636895 CHVQGMFZLIZICH-NSHDSACASA-N 256.340 3.981 30 20 CHED CC(C)C[C@@H](C)CNc1ccc(F)cc1OCC#N 798387475 FSSFEMWHFGVARQ-GFCCVEGCSA-N 264.344 3.822 30 20 CHED C#CCN(CC#N)CCSc1cc(Cl)ccc1Cl 799200962 QOKOOWNHKITWGG-UHFFFAOYSA-N 299.226 3.544 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1cnoc1C 799485797 WDYRIGPXIDNWBL-UHFFFAOYSA-N 280.331 3.676 30 20 CHED CCCC[C@H](C)C(=O)O[C@H](C)c1ccc(C#N)cc1 799960420 UOCOOYCYZXHKST-QWHCGFSZSA-N 259.349 3.989 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2cc(OC)ccc2c1 804309072 SXAYBLWCTLRNEM-UHFFFAOYSA-N 281.355 3.836 30 20 CHED CCCCCCCC(=O)Nc1cc(CCOC)ccn1 804389332 CRBRFJAFBSGRER-UHFFFAOYSA-N 278.396 3.570 30 20 CHED O=C1/C(=C/c2cccc(F)c2)C[C@@H](C(=O)O)c2ccccc21 806559505 BOOLMAZGQVIWDU-OQRGYWNNSA-N 296.297 3.664 30 20 CHED CC(=NOC1CCCC1)c1cc2c(C)nn(C)c2s1 807980240 MBMSPSLBNUPNCV-UHFFFAOYSA-N 277.393 3.626 30 20 CHED C#C[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C(C)(C)C 808313909 HQDXCZGLMMPSIN-SWLSCSKDSA-N 290.382 3.576 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Oc1ccc(C#N)cc1F 808573722 ILZJCBJJTRWVDU-UHFFFAOYSA-N 287.290 3.941 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(C)nc1)c1ccc(Cl)cc1 810196099 UVWOSOGQYRBXQG-HNNXBMFYSA-N 299.761 3.539 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 811595544 QQAWPDJRDCHAQQ-HOCLYGCPSA-N 281.440 3.763 30 20 CHED CON=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 811638502 PXEHDEVRHLLLKR-JSGCOSHPSA-N 296.411 3.579 30 20 CHED c1ccc(C[C@@H]2CCCC2=NNC[C@@H]2CCSC2)cc1 811659665 VZKKQSDFPWPNJC-HOTGVXAUSA-N 288.460 3.728 30 20 CHED Fc1ccc(C=NOC2CCC2)cc1C(F)(F)F 812238339 SRPCYDOMKSKNCA-UHFFFAOYSA-N 261.218 3.748 30 20 CHED CCOc1cc(C=NOCC2CC2)cc(Cl)c1OC 814243231 MKEYOEKRDUKJIG-UHFFFAOYSA-N 283.755 3.508 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cc[nH]n1 814811464 GFTUNUWCPDWJAX-GFCCVEGCSA-N 270.380 3.608 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1cccc(C2CC2)c1 814908040 GJLKVMOATRTZOC-KRWDZBQOSA-N 286.419 3.835 30 20 CHED CC(C)c1cnc(C=NNc2nccnc2C(C)C)s1 814916784 LWNBWYAQOGQBCJ-UHFFFAOYSA-N 289.408 3.626 30 20 CHED C=CCCN(OCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 815100966 YLWYUHWMFRPGDI-DLBZAZTESA-N 270.376 3.689 30 20 CHED COc1cc(C)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1C 818356751 QRXFPPPMJBECJU-QLFBSQMISA-N 272.392 3.655 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CC)[C@H](C)c1ccc(F)cc1 820635146 IKMBZEHVDHYZTQ-CJNGLKHVSA-N 290.382 3.720 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1SC(C)C)C(C)C 821564334 CQKOMZOSBSFZNX-CYBMUJFWSA-N 290.432 3.966 30 20 CHED COc1cc(F)c(NC2CCC(C)(C#N)CC2)cc1F 824119019 ASAXNCUAAXWSSL-UHFFFAOYSA-N 280.318 3.858 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)c1cccc(C(C)C)c1 832276197 QCJDUHOOQJCRBD-UHFFFAOYSA-N 297.320 3.838 30 20 CHED CC[C@@H](C)CC=Nn1c(S)nnc1-c1ccccc1C 834928215 LAKQYKMSYPSFKZ-LLVKDONJSA-N 288.420 3.812 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)OCc1ccccc1C#N 835119048 PBWAZVMQNRNTSE-JTQLQIEISA-N 285.265 3.580 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H](C)C2CCC2)cc1 837372287 LNHSDADWMNMKFZ-CQSZACIVSA-N 270.376 3.678 30 20 CHED Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C#CC(C)(C)C)o1 837448012 WKJDZBFERFBRCC-UKRRQHHQSA-N 287.403 3.937 30 20 CHED C#CCC[C@H](C)OC(=O)c1nc(-c2ccco2)sc1C 839035188 UIFFBYUICSAFLF-JTQLQIEISA-N 289.356 3.670 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)C2(c3ccccc3)CCC2)C1 839060340 ZOZCHIRKHYVDRX-HOCLYGCPSA-N 283.371 3.734 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C2(c3cccnc3)CCCC2)C1 839062581 MTWJOGKVNLSBSB-ZBFHGGJFSA-N 298.386 3.519 30 20 CHED Cc1cc(C=NOCc2ccccc2)cc(C)c1O 839419379 FICKTAAHQDBODZ-UHFFFAOYSA-N 255.317 3.560 30 20 CHED CC[C@H](C)[C@H](C/N=C\c1cc(Cl)ccc1O)OC 840705595 FCEJBRIOBQBVLJ-XYPVYCECSA-N 269.772 3.526 30 20 CHED CCCCCC[C@H](C)NN=Cc1cnc(C2CC2)nc1 841628276 SAUPJFSSRQKNEG-ZDUSSCGKSA-N 274.412 3.636 30 20 CHED C=C[C@H](C)ONC(=O)[C@H](C)c1c(Cl)cccc1Cl 846548082 CYWLOCJSEFWZMV-DTWKUNHWSA-N 288.174 3.719 30 20 CHED CC(C)c1ccccc1C=NN[C@@H](C)c1ccncc1 848412231 LPPUENMKHJVQEY-AWEZNQCLSA-N 267.376 3.890 30 20 CHED C=CC[C@H](NC1CCC(OCC)CC1)c1ccncc1 850435619 PCMQIBNOFQZTFF-JCYILVPMSA-N 274.408 3.636 30 20 CHED C#CCCCCCOC(=O)c1ccsc1Cl 853114041 IZKCGBSSDJABEN-UHFFFAOYSA-N 256.754 3.752 30 20 CHED CO[C@H](C=NNc1ccc(F)cc1C)C1CCCC1 853325324 TWWTUILNLNNXRK-OAHLLOKOSA-N 264.344 3.737 30 20 CHED CCc1noc(C)c1C(C)=NNc1ccc(C)c(F)c1 853439056 ZJZBBEBBXSANPE-UHFFFAOYSA-N 275.327 3.829 30 20 CHED C#Cc1cccnc1N[C@@H]1CCCc2sccc21 853482491 WXOVPGUKQJVYQB-CYBMUJFWSA-N 254.358 3.614 30 20 CHED N#CC[C@@H]1CCCN(Cn2c(=S)oc3ccccc32)C1 853526127 NEPKLGCSFPWXMG-LBPRGKRZSA-N 287.388 3.547 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@@H](C)c1ccco1 860870037 KDBWBYRJXFPESW-NEPJUHHUSA-N 263.337 3.645 30 20 CHED C#C[C@@H](OC(=O)C[C@@H](C)c1ccncc1)c1ccc(C)cc1 860960773 BIHACRXRGLOLIC-CRAIPNDOSA-N 293.366 3.801 30 20 CHED Cc1cccc(C[C@@H](C)NCC2CCC(C#N)CC2)c1 866354180 YFHVACKQURLGCG-KLAILNCOSA-N 270.420 3.846 30 20 CHED CC[C@H](NCC[C@H](O)C1CCCC1)c1ccc(C#N)cc1 866638483 QTQCLKZRRQYNFH-ROUUACIJSA-N 286.419 3.540 30 20 CHED CCCCN(C(=O)c1ccc(C)c(C#N)c1)c1cccnc1 875884720 XXWUVFOSGVKVMU-UHFFFAOYSA-N 293.370 3.709 30 20 CHED CC[C@@H](C)CONc1nccc(Oc2cccc(C#N)c2)n1 882392934 UZYCTBHZXJMGGJ-GFCCVEGCSA-N 298.346 3.530 30 20 CHED C=CCCN(C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C 888283458 QOBFZLMPTSZEPA-UHFFFAOYSA-N 297.742 3.596 30 20 CHED C=C1CCC(C(=O)Nc2ccc(-c3nncs3)cc2)CC1 890351703 RTYUKPAFAYLDAU-UHFFFAOYSA-N 299.399 3.890 30 20 CHED CC(C)(C)c1ccc(C(=O)N(CC#N)c2ccccn2)cc1 892470898 YWOQUZMKQVCAOH-UHFFFAOYSA-N 293.370 3.549 30 20 CHED CN=[S@](C)(=O)c1cccc(NCC(C)(C)CCC#N)c1 895736392 YAZIDRQEEPQDLH-HXUWFJFHSA-N 293.436 3.515 30 20 CHED C=C1CC(c2noc([C@H](C)Oc3ccc(F)c(F)c3)n2)C1 896881505 IOGYGRHNRLNEBG-VIFPVBQESA-N 292.285 3.921 30 20 CHED CCn1cc(/C=C2/Cc3c(Cl)cccc3C2=O)c(C)n1 899350654 KYFGTAFVMINIAU-XFFZJAGNSA-N 286.762 3.687 30 20 CHED CCn1cc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)c(C)n1 899367156 WRCMBMQJGIELPZ-DISPHTKASA-N 292.382 3.911 30 20 CHED CCCc1ccc(/C=C2\CCc3nc(O)ccc3C2=O)cc1 901485351 HOMZSENJYDKQOB-NTCAYCPXSA-N 293.366 3.952 30 20 CHED CC[C@@H](NCC1(OC)CCCC1)c1cccc(C#N)c1 902999693 DVRFZXUFYCLWON-MRXNPFEDSA-N 272.392 3.558 30 20 CHED Cc1ccc(OC(F)F)c([C@H](C)NCC(C)(C)C#N)c1 903100690 VQKNGHMMWBXZED-NSHDSACASA-N 282.334 3.797 30 20 CHED C=C[C@@](C)(CC)c1nc(CCCCSC)no1 903786014 UFIHLUMJZLFTPN-ZDUSSCGKSA-N 254.399 3.609 30 20 CHED CCC1=C(C(=O)OCCCCC2(C#N)CCC2)CCCO1 909220815 WGJXXKAYEKHWKR-UHFFFAOYSA-N 291.391 3.868 30 20 CHED N#CC1(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCCC1 917419339 QULYVNSDLPTUPU-UHFFFAOYSA-N 296.330 3.542 30 20 CHED Cc1cc(C)nc(NN=Cc2cc(Cl)cc(Cl)c2)n1 917529395 OSHPBYJHLTVCBU-UHFFFAOYSA-N 295.173 3.846 30 20 CHED C(=NNc1ccccc1)c1ccc(N2CCCCC2)o1 917564194 XQHWKPMAMUMJQJ-UHFFFAOYSA-N 269.348 3.716 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)c2ccc(C)s2)c1 920173261 BFRUBDQNIMYLCS-WIWNTQSISA-N 275.373 3.951 30 20 CHED CCOc1cccc(/C=N/CCc2ccccc2F)c1O 920944470 XYVOEXRJGNHSEB-XDHOZWIPSA-N 287.334 3.592 30 20 CHED CC(C)Oc1cccc(C=NNc2cccc(C#N)c2)c1 921258987 TYOAVVGFMMULOQ-UHFFFAOYSA-N 279.343 3.791 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1cccc2cccnc12 924623618 RCROKSIDCNADLU-AWEZNQCLSA-N 281.403 3.695 30 20 CHED C[C@H](N[C@H](C)CC(C)(C)C#N)[C@@H](c1ccccc1)N(C)C 926197519 ZHYJTTKNDPSYQP-VYDXJSESSA-N 287.451 3.596 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cccc(Br)n1 926521254 NBFWJWVUJDJZLU-SNVBAGLBSA-N 283.213 3.707 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(F)c2occc12 935699263 XTOJWVJNPRTVNM-LLVKDONJSA-N 273.307 3.753 30 20 CHED Cc1sc(NC(=O)c2nccc3occc23)c(C#N)c1C 1124065303 YULGVZUXOKFTCW-UHFFFAOYSA-N 297.339 3.630 30 20 CHED Cc1cccc(Cl)c1C(=O)Nc1ccc(C#N)c(C#N)c1 1126412909 PHSRQCIVGGMBHI-UHFFFAOYSA-N 295.729 3.644 30 20 CHED COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1C#N 1132547449 CXWAGVYMFOVYDR-CYBMUJFWSA-N 294.354 3.699 30 20 CHED Cc1ccc(F)c(NC(=O)c2cc(F)c(C#N)c(F)c2)c1 1135883468 NILZOPLLUMPIIL-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC1CC(Nc2c(Br)cccc2C#N)C1 1162705988 LBTJLDFTZSQGCD-UHFFFAOYSA-N 265.154 3.531 30 20 CHED CCc1ncc(CSc2ccc(C#N)cc2F)o1 1165710897 WIOHAASGFDTTOB-UHFFFAOYSA-N 262.309 3.540 30 20 CHED CCCCCCCCNC(=O)N1CC2CCC1CC2 1191064208 RVQJJQBXRPAHQN-UHFFFAOYSA-N 266.429 3.931 30 20 CHED COc1ccc(CN2CCc3c(C#N)cccc32)cc1Cl 1195314531 LQZUGXJTPZPZKN-UHFFFAOYSA-N 298.773 3.783 30 20 CHED N#Cc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1 1202378561 PTXXFDHGFTYTJP-UHFFFAOYSA-N 299.761 3.576 30 20 CHED N#Cc1ccc(Cl)c(-c2nnc(C3CCC3)o2)c1 1255257587 WOODKLSYDUCZEN-UHFFFAOYSA-N 259.696 3.529 30 20 CHED C[C@@H]1COc2ccccc2[C@@H]1OC(=O)CCCCCC#N 1261137472 LQPSQYRBMIXFLT-CXAGYDPISA-N 287.359 3.773 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 1264923716 OZZNSDUZXYHFPC-SMDDNHRTSA-N 274.339 3.852 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1nc(C#N)c(Cl)s1 1306967459 IQOOTGBWDYWETF-VGMNWLOBSA-N 269.801 3.905 30 20 CHED CC(C)(C)c1ccc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)nn1 1318928486 JJEINIMSESBXTO-SYQHCUMBSA-N 298.434 3.998 30 20 CHED C(=NOCc1ccccc1)c1ccc2c(c1)CCC2 1319167404 NONXTAAPTVJRIX-UHFFFAOYSA-N 251.329 3.726 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cccc3[nH]ccc23)nn1 1323000106 ZCTUJIPEENOMES-UHFFFAOYSA-N 293.374 3.701 30 20 CHED N#Cc1ccc(NCCC2CCOCC2)c(C(F)(F)F)c1 1323971621 CLVPKMYQJGSJAD-UHFFFAOYSA-N 298.308 3.806 30 20 CHED Cc1cc(C=NNc2ccc(Cl)cc2Cl)ncn1 1324162376 LZLVGLOQRCOSQM-UHFFFAOYSA-N 281.146 3.538 30 20 CHED CC(C)(C)c1nnc(C[C@@H](CC#N)c2ccccc2)o1 1325827202 BLOQWSNBRNMVTK-CYBMUJFWSA-N 269.348 3.607 30 20 CHED CC1(C)CC[C@@H](c2nnc(COc3ccc(C#N)cc3)o2)C1 1327268037 ODIYWRYUCVKCDO-CYBMUJFWSA-N 297.358 3.814 30 20 CHED S=c1[nH]c2ccccc2nc1NN=C1CC[C@@H]1C1CC1 1331723397 SNBRUHUEADWURD-SNVBAGLBSA-N 284.388 3.880 30 20 CHED CCCCC[C@@H](C)NC(=O)c1cccc(C#N)c1C 1344640353 XABZEOXXAONCRU-GFCCVEGCSA-N 258.365 3.565 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C2CC2)ccn1 1346500936 RBRPWZTXTYDZCS-OAHLLOKOSA-N 285.391 3.922 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)/C(C)=C/c1ccco1 1347520973 DQIPYHDWGKDIED-XTZCOPOCSA-N 259.349 3.640 30 20 CHED C#CC[C@H](C)OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 1357580558 PCNKCRKCJGTNNH-LBPRGKRZSA-N 296.322 3.718 30 20 CHED Cc1ccc(COC(=O)c2cccc(SCC#N)c2)cc1 1458862958 JWHFETFWIHNEHJ-UHFFFAOYSA-N 297.379 3.968 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)c1cc(C#N)ccc1F 1460367587 SYDUPYQWICFEKB-UHFFFAOYSA-N 296.345 3.671 30 20 CHED N#Cc1ccc(F)c(NC(=O)CCCc2ccsc2)c1 1460787960 KILAHXFIRTXCHK-UHFFFAOYSA-N 288.347 3.720 30 20 CHED C=C(Cl)CN[C@H](C(=O)OC(C)(C)C)c1cccc(C)c1 1460869221 HSWIZYNGQCRIHU-AWEZNQCLSA-N 295.810 3.720 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 1472775302 VZJIAAOPNTYZGU-ZFWWWQNUSA-N 296.349 3.544 30 20 CHED N#Cc1cccc(CN2CCCc3ccccc3CC2)c1 1473478072 JLEDDHROEASDQN-UHFFFAOYSA-N 276.383 3.549 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)CCC(C)(C)C 1522231053 ZURAGYJUYHZFDY-ZDUSSCGKSA-N 272.392 3.811 30 20 CHED C#C[C@@H](OC(=O)[C@@H](C)OC1CCCCC1)c1ccccc1 1525408099 QWLCLONLENJGIZ-RHSMWYFYSA-N 286.371 3.642 30 20 CHED C[C@@H](OC(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1cccc(C#N)c1 1525572271 RZYNHDZIJIRMAV-FWYOQMDTSA-N 269.344 3.599 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)/C(C)=C\C1CCC(C)CC1 1526587190 LVWBFMCXSIBMLV-JQYPWUSVSA-N 299.418 3.852 30 20 CHED C=C(CC)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 1527659362 YKGJIOHNKWYVLX-HNNXBMFYSA-N 261.340 3.749 30 20 CHED C=Cc1ccc(C(=O)Nc2nc(Cl)c(C#N)s2)cc1 1539958360 PUIFCEWJFKPNIC-UHFFFAOYSA-N 289.747 3.563 30 20 CHED CCO[C@H]1C[C@@H](Nc2cc(C)c(C#N)cn2)C12CCCCC2 1559104934 CEVUIOUJUXRPLW-CVEARBPZSA-N 299.418 3.802 30 20 CHED CC(C)[C@H]1CN(c2cccc(C#N)n2)c2ccccc21 1559181042 CTZGGROYJTVGFG-OAHLLOKOSA-N 263.344 3.845 30 20 CHED Cc1ccc(CCNc2ccc(Cl)c(C#N)n2)cc1C 1559232667 OXDXEQJUHLERIN-UHFFFAOYSA-N 285.778 3.878 30 20 CHED C=CCCCCCSCc1nc(C(=O)O)cs1 1602870247 LOCFGLVLOVNVAZ-UHFFFAOYSA-N 271.407 3.821 30 20 CHED CSc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1C(=O)O 1607409731 QXZOFHBWBLBYIT-MNOVXSKESA-N 290.388 3.601 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(C(=O)O)cs2)cc1F 1607768011 FKPNLZZSYKMGAF-PLNGDYQASA-N 290.315 3.790 30 20 CHED Cc1cc(CNc2cccc([C@H](C)C(=O)O)c2)ccc1C#N 1610458971 ANGSFTYBHZGZST-ZDUSSCGKSA-N 294.354 3.667 30 20 CHED O=C(O)c1csc(C(=O)/C=C/C=C\c2ccccc2)c1 1610870059 HFBZQOHHBTUWPL-MVTUOISNSA-N 284.336 3.899 30 20 CHED CC(C)C[C@H](C)CN1CCCN(c2ccccc2C#N)CC1 1615417791 KCGXDLHBEWBNTH-KRWDZBQOSA-N 299.462 3.753 30 20 CHED N#Cc1ccc(N2CCN(CCC3CCCCC3)CC2)cc1 1621483474 DVHUKCHFHWUSEQ-UHFFFAOYSA-N 297.446 3.651 30 20 CHED CCC1(NC(=O)c2cc(F)c(C#N)c(F)c2)CCCCC1 1628025063 XUARFMZVMDANKT-UHFFFAOYSA-N 292.329 3.679 30 20 CHED Cc1cc(NC[C@H](C)c2ccc(F)cc2F)ncc1C#N 1642322793 SPSNVQAUZYEYBM-NSHDSACASA-N 287.313 3.756 30 20 CHED N#Cc1ccc(CCOc2cc(Cl)ccc2C#N)cc1 1643791139 JDDDPGSYIZINQH-UHFFFAOYSA-N 282.730 3.705 30 20 CHED N#CCC1(CN2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1652421350 OYTGWKBDLDXGGL-LUKYLMHMSA-N 272.436 3.971 30 20 CHED COc1ccc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)cc1C#N 1655762850 YTPYUKFRHNKEDI-XJKSGUPXSA-N 286.419 3.871 30 20 CHED C[C@H](CCC#N)CN[C@@]1(c2ccccc2)CC1(C)C 1658631944 QTWOCSIYVUIPHX-RHSMWYFYSA-N 256.393 3.841 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(C)CC(C)(C)C 1705753322 WWKNSTREIROXOY-UHFFFAOYSA-N 296.846 3.780 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(O)c3ccccc23)cc1 9855820 PXHNWTURJVZSBQ-UHFFFAOYSA-N 288.306 3.669 30 20 CHED CSc1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1 11335969 FXCZOYCGHPGQIU-FMIVXFBMSA-N 282.364 3.937 30 20 CHED C[C@H](NCCc1cccs1)c1ccc(C#N)cc1 19948797 CJYIVDNOPFCULX-LBPRGKRZSA-N 256.374 3.513 30 20 CHED CC[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)O 22865133 YQPWSCLKMOBFJX-AWEZNQCLSA-N 298.367 3.576 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 25837672 LFGJSKXJOPBROW-UHFFFAOYSA-N 296.345 3.808 30 20 CHED CCN(CC)CCC[C@H](C)N[C@@H](C)c1cccc(C#N)c1 37200927 IXRXYKMDCFFOOI-HOTGVXAUSA-N 287.451 3.719 30 20 CHED N#Cc1ccc(OCCOc2ccc(F)cc2Cl)cc1 37847123 MDPMSDNXWFLALR-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(Cl)s1 42373336 SJNOJBFFXOROKA-VIFPVBQESA-N 290.775 3.764 30 20 CHED Cc1ccc(CNc2snc(Cl)c2C#N)s1 48561915 ZDRZWJJBWAEGNJ-UHFFFAOYSA-N 269.782 3.650 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 49497027 RGJVMGDGXMMDDP-UHFFFAOYSA-N 285.372 3.662 30 20 CHED CN(Cc1ccsc1)c1nc2c(cc1C#N)CCCC2 49957115 SSKDXISYZMWIEB-UHFFFAOYSA-N 283.400 3.530 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cc(Cl)ccc1Cl 54178292 GMLXFUFEANMFRT-VIFPVBQESA-N 286.162 3.807 30 20 CHED CCC[C@H](C)C(=O)Nc1sc(C)c(C)c1C#N 60391190 VFAIJWZTAFYSHK-QMMMGPOBSA-N 250.367 3.611 30 20 CHED C=CCNC(=O)c1ccc(OCC2CCCCC2)cc1 64671835 IQCGEDDNGWNYGA-UHFFFAOYSA-N 273.376 3.562 30 20 CHED C=CCc1ccc(OC(=O)C2CCCC2)c(OC)c1 70730567 KUVOOCRLNWJFAJ-UHFFFAOYSA-N 260.333 3.519 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1Cl 77666685 BSJQPJACXTWSJB-NXEZZACHSA-N 284.762 3.804 30 20 CHED CC[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 79527698 XOGUOXMKCQRXML-CYBMUJFWSA-N 288.416 3.564 30 20 CHED COCc1nc2cc(NCC(C)(C)CCC#N)ccc2o1 80342529 JWIOGJJYPYATJQ-UHFFFAOYSA-N 287.363 3.716 30 20 CHED CN(CCC#N)Cc1ccc(OCc2ccc(F)cc2)cc1 83217177 XKGYLMYAFHAXEB-UHFFFAOYSA-N 298.361 3.750 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 88218940 QKKVJLZTTKWMPE-HNNXBMFYSA-N 286.419 3.820 30 20 CHED CCO[C@@H]1C[C@@H](N(C)CC(C)(C)CCC#N)C12CCC2 92041189 XTQKBQTUKKBGCC-HUUCEWRRSA-N 278.440 3.596 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1cc(C#N)ccc1OC 92224916 XKGQLJZIVZELPI-QGZVFWFLSA-N 295.386 3.545 30 20 CHED Cc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)c(C)n1 94664620 WCHFFMGDXWEZFA-ZDUSSCGKSA-N 281.359 3.774 30 20 CHED CC[C@@](C)(NC(=O)c1ccc(C#N)cc1)c1ccccc1 107514006 YCIZFPRYMUXFBV-GOSISDBHSA-N 278.355 3.613 30 20 CHED Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CC2 113310537 DBIXCLBUDRBFIS-GOSISDBHSA-N 262.356 3.644 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 116806793 IACGJRTZTXGJIM-GTNSWQLSSA-N 299.349 3.509 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 116974057 IKGZCBFGTPQTHE-QWRGUYRKSA-N 282.334 3.632 30 20 CHED C#CCCCCC(=O)N1CCC(c2ccc(F)cc2)CC1 119977612 BVEIABFJMBOLHO-UHFFFAOYSA-N 287.378 3.725 30 20 CHED N#Cc1ccc(F)c(CN[C@@H](c2ccccc2)C2CC2)c1 120207640 BQKKSPUQNAQAIP-SFHVURJKSA-N 280.346 3.938 30 20 CHED C=C(C)CN(CC)C(=O)c1c(F)cccc1Cl 120589704 DYLZRPOAEGUZPI-UHFFFAOYSA-N 255.720 3.517 30 20 CHED C[C@@H](/N=C/c1c(O)ccc2ccccc12)C1CCOCC1 122898944 QCKZFCQPGYTEQZ-KZKLBEMASA-N 283.371 3.779 30 20 CHED COc1cc(C(C)=O)ccc1SCCCSCC#N 123063709 HGTICYDZSPBJNF-UHFFFAOYSA-N 295.429 3.637 30 20 CHED C=CCNc1ncc(C(=O)Nc2cccc(C)c2C)s1 124524756 BLQUMONARAUCEL-UHFFFAOYSA-N 287.388 3.610 30 20 CHED CC(C)c1ncc(/C=C/C(=O)c2cc(O)ccc2O)s1 125621486 MQGRCTFMPSZSLG-GQCTYLIASA-N 289.356 3.574 30 20 CHED C=CCNc1ncc(C(=O)N2C[C@H](C)c3ccccc32)s1 126537896 ASANZSFHLVQGPH-NSHDSACASA-N 299.399 3.505 30 20 CHED C#CCOc1ccc(C(=O)N(CC)c2ccc(F)cc2)cc1 131451940 IJXSCXGGRPBGKP-UHFFFAOYSA-N 297.329 3.504 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N(C)[C@@H](C)CC#N)cc1 132272015 TYQFDAPWPYWTAT-GJZGRUSLSA-N 286.419 3.749 30 20 CHED C=CCCNC1(c2ccc(Br)cc2)CC1 132675357 IKOULVYETYGHAN-UHFFFAOYSA-N 266.182 3.604 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)ccc1Cl 136163029 VGEOICVRCMRMKI-LBPRGKRZSA-N 271.147 3.872 30 20 CHED Cc1ccccc1Cn1nc(C(C)(C)C)c(CCC#N)c1O 151842608 VFZSIGSXOIMWEB-UHFFFAOYSA-N 297.402 3.699 30 20 CHED Cc1ccc(C#N)cc1NCc1nc(C(F)(F)F)cs1 151847978 CWPXYXRRTYZONT-UHFFFAOYSA-N 297.305 3.954 30 20 CHED C=C(C)CN(CC)[C@H](C)c1nc(-c2cccs2)no1 152534785 MFOUJXHJEFSHMT-LLVKDONJSA-N 277.393 3.757 30 20 CHED N#CCC[C@@H](NC(=O)CCC1CCC1)c1ccccc1 153502579 NRYRSIVKEGHEGP-MRXNPFEDSA-N 270.376 3.728 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(CN(C)C)cc1 156845401 PTVGICRERSGGSZ-UHFFFAOYSA-N 288.435 3.567 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)Cc2cccc(F)c2)cc1 160461375 GQHXRWIBTBBXHS-CQSZACIVSA-N 298.361 3.749 30 20 CHED C#CCCCNc1cc(Br)ccc1C 161056875 OJDAAICLQMFSIP-UHFFFAOYSA-N 252.155 3.583 30 20 CHED C=CCN(C(=O)c1cc(C(F)(F)F)ccc1F)C1CC1 162212731 XMFHPRFGAKYBLQ-UHFFFAOYSA-N 287.256 3.635 30 20 CHED N#CCCCCNC(=O)/C=C/c1c(Cl)cccc1Cl 171507984 HNTBVGYWBHJWTR-BQYQJAHWSA-N 297.185 3.817 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(OCC3CC3)cc2)c1 171947141 DHWJMYYLTTXFFX-UHFFFAOYSA-N 292.338 3.599 30 20 CHED C=CCN(Cc1cscn1)CC1CCCCC1 171974070 XDJHLCXWEUYHFY-UHFFFAOYSA-N 250.411 3.711 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)S[C@@H](C)C(C)C 172965156 CCSVAJJKARUOEJ-QWHCGFSZSA-N 257.443 3.577 30 20 CHED N#Cc1ccc(-c2nc3c(F)cccc3n2C2CC2)o1 173744144 QPJPCXWWCFVZCB-UHFFFAOYSA-N 267.263 3.642 30 20 CHED C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(C#N)c1 174429970 FEFJQUYGYOBDHM-ZDUSSCGKSA-N 297.377 3.614 30 20 CHED C[C@@H](CNCc1cccc(C#N)c1)Cc1cccs1 174534362 NZMXDULWOSRLFK-CYBMUJFWSA-N 270.401 3.588 30 20 CHED CC(C)(C#N)CCCN(Cc1ccco1)C[C@H]1CCCO1 174832914 LGKUSDYCNZXGTH-MRXNPFEDSA-N 290.407 3.591 30 20 CHED C[C@H](OC(=O)C[C@@H]1C=CCC1)c1ccc(C#N)cc1 175783771 FBMCAHXMHLSBTB-QWHCGFSZSA-N 255.317 3.519 30 20 CHED CCC1(NC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1 176468428 ANGJBZZLSGTRST-UHFFFAOYSA-N 277.755 3.666 30 20 CHED Cc1nc(C(=O)N2CCCC[C@H]2CCC(C)C)ccc1C#N 177500316 XOFGTGVGOBCKLD-INIZCTEOSA-N 299.418 3.693 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1C[C@H]2CCCC[C@H]2C1 177546220 POIRDPRBCKSHRU-RRQGHBQHSA-N 254.377 3.741 30 20 CHED C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1 178643921 OILLJROBUZVACD-SJKOYZFVSA-N 296.345 3.872 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C)C[C@@H](C)C1 178865306 MNDZQQXWCWPCGF-CHWSQXEVSA-N 285.391 3.767 30 20 CHED N#Cc1c[nH]c(C(=O)N[C@H](CC2CCC2)c2ccccc2)c1 180029324 ARAKPRXKMYCZBQ-MRXNPFEDSA-N 293.370 3.548 30 20 CHED CC1CCC(Nc2ccccc2O[C@@H](C)C#N)CC1 180203728 HHTBYUOVUKMXLV-MOKVOYLWSA-N 258.365 3.968 30 20 CHED C#CCCCCC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 180302050 PYIZANZEMZPTGC-LBPRGKRZSA-N 291.778 3.648 30 20 CHED CCOCc1cc(/C=C/C(=O)c2ccncc2)ccc1OC 182245014 LZSFKSXSNUEOOV-GQCTYLIASA-N 297.354 3.523 30 20 CHED CC#CCCCC(=O)N1CCC[C@H](C(C)(C)C)CC1 185587507 NGAOFRNUIWGLJS-HNNXBMFYSA-N 263.425 3.855 30 20 CHED C=C(C)[C@H](NCc1ccncc1)c1ccc(F)c(F)c1 187372422 AUSVHEONZYDXAF-INIZCTEOSA-N 274.314 3.767 30 20 CHED N#CC1(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CCCC1 189614873 IOTJQQLWKXTQCM-DLBZAZTESA-N 296.414 3.598 30 20 CHED C=CCC1(C(=O)NCc2nc3ccccc3s2)CCC1 191697865 SRCBGRMBWWXCEE-UHFFFAOYSA-N 286.400 3.659 30 20 CHED CSc1ccc(OC(=O)c2cccc(CC#N)c2)cc1 192497800 IZPYXXPQRINCOF-UHFFFAOYSA-N 283.352 3.694 30 20 CHED CCCc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1 194011524 YTTOUPUZETYCNI-UHFFFAOYSA-N 293.370 3.561 30 20 CHED CCCCCCCCCN(C)C(=O)c1cn[nH]c1C 194895811 DOKSJCRVTLJNOL-UHFFFAOYSA-N 265.401 3.541 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(OCC#N)cc1 221671976 AATVMBBKUZKGDQ-WWGRRREGSA-N 258.365 3.826 30 20 CHED COc1cc(CNc2cc(C)ccc2C)ccc1C#N 234898353 VRHAMJKKQHHCSE-UHFFFAOYSA-N 266.344 3.796 30 20 CHED Cc1cc(C)cc(CON=Cc2ccc(F)cc2)c1 255048396 NQXXLZQIRUWUJP-UHFFFAOYSA-N 257.308 3.993 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)/C=C\c1ccccc1C#N 255304351 DVYKTLYKLIRPII-PFQLYRODSA-N 282.387 3.609 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 264569925 RDBMACQBUCSLLG-JEBQAFNWSA-N 292.382 3.561 30 20 CHED N#CCOc1ccc(CN2CC[C@H](c3ccccc3)C2)cc1 264570961 RPMHTVAZLBIIBJ-SFHVURJKSA-N 292.382 3.578 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)OCC 270089558 BSCSBOVABTZKOW-AWEZNQCLSA-N 292.766 3.521 30 20 CHED C=CCC[C@H](NCc1nnc(C)s1)c1ccccc1 271739027 PCAVUJCJAZVAIY-AWEZNQCLSA-N 273.405 3.644 30 20 CHED CCOc1ccc([C@@H](CC)NCCCC#N)cc1OCC 273301667 UTMPMOASCVPVDR-OAHLLOKOSA-N 290.407 3.828 30 20 CHED Cc1cccc(NC2CCN([C@H](C)CCC#N)CC2)c1 276339038 SUNCZGJHOYNOBG-OAHLLOKOSA-N 271.408 3.564 30 20 CHED COc1cc(C)nc(CSCCC(C)(C)C#N)c1 276579043 GKIUIKSBSVGUNM-UHFFFAOYSA-N 264.394 3.572 30 20 CHED CC[C@@H](N[C@@H](C)c1nnc(C)s1)c1ccc(C#N)cc1 278902184 ZJZQOIPZFYPKAX-IINYFYTJSA-N 286.404 3.520 30 20 CHED CC(C)(C#N)CCCCNC1(c2cccc(C#N)c2)CC1 278917147 WJPWHKCWWIERAO-UHFFFAOYSA-N 281.403 3.857 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 280484428 DXDAHXOQOWUQRE-STQMWFEESA-N 272.392 3.652 30 20 CHED C=CCC[C@H](NCc1ncccc1N(C)C)c1ccco1 289572084 AZHLMGYYSNGPEE-AWEZNQCLSA-N 285.391 3.538 30 20 CHED CCc1cc(Br)ccc1NC(=O)CCCC#N 291858968 HCOUBPFVKAEHCX-UHFFFAOYSA-N 295.180 3.644 30 20 CHED N#Cc1cccnc1N1CC2(CCC2)[C@@H]1c1ccccc1 292975912 HPAIUFLJPLMDHU-INIZCTEOSA-N 275.355 3.685 30 20 CHED N#CCC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 293569930 XWZLMRASLYJTLK-UHFFFAOYSA-N 297.185 3.613 30 20 CHED CC1(C)CN(Cc2ccc(C#N)s2)[C@H]1c1ccncc1 293972140 QQZSYYKUQOXWQJ-HNNXBMFYSA-N 283.400 3.598 30 20 CHED N#C[C@@H]1CC[C@H](N2CCn3c(cc4ccc(Cl)cc43)C2)C1 293974637 DGODYJSBMBKQFC-DOMZBBRYSA-N 299.805 3.803 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(C)c(F)cc1Cl 297737475 KUHINNXZUWZRRV-UHFFFAOYSA-N 255.720 3.938 30 20 CHED Cc1cc(NC(=O)C(C)(C)C#N)c2ccccc2c1 297758012 OVVDBUDJJFVESP-UHFFFAOYSA-N 252.317 3.637 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(C2CCC2)cc1 298542339 WPJZLOREVJQRFI-UHFFFAOYSA-N 283.375 3.888 30 20 CHED N#Cc1cccnc1N[C@H](c1ccccc1)C1CCC1 301209811 UHHGAHIMOXIOER-MRXNPFEDSA-N 263.344 3.907 30 20 CHED C=C(C)CN(CC)c1ccc([N+](=O)[O-])c2cnccc12 301231776 AZNNAYVZEIFPEY-UHFFFAOYSA-N 271.320 3.545 30 20 CHED Cc1ccc(Sc2nccc(C#N)c2[N+](=O)[O-])cc1C 301664059 VQSJAVKLMHZJDF-UHFFFAOYSA-N 285.328 3.630 30 20 CHED CCC1(CC)[C@@H](Nc2ccc(Cl)c(C#N)n2)C[C@@H]1OC 301709806 JVKSSEQWKSGJLC-STQMWFEESA-N 293.798 3.612 30 20 CHED CC(C)[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)CCS1 301812767 HOPRSBOODUWSGN-INIZCTEOSA-N 297.427 3.684 30 20 CHED CCC1(CC)CCC(Nc2ccc(C#N)nn2)CC1 302761073 KCDVDFFPFLMXKK-UHFFFAOYSA-N 258.369 3.509 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(F)c(C#N)c1 308094237 XRYIQOOMTRWWEP-LLVKDONJSA-N 262.328 3.708 30 20 CHED C=CCCCCNC(=O)c1c(C)cccc1Br 310553271 HBPMZPGQNZGAHE-UHFFFAOYSA-N 296.208 3.844 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)[C@H]2CCC(=O)c3ccccc32)o1 328822025 QQJPYNFNTXMKHQ-FZMZJTMJSA-N 298.342 3.761 30 20 CHED C[C@@H]1N=C(O)CC[C@H]1/N=C(/O)C(C1CCC1)C1CCC1 329120514 PTXQJJZHYVRCJZ-GXFFZTMASA-N 278.396 3.667 30 20 CHED C[C@@H]1CCCC[C@@H]1/N=C(/O)c1cc2nc[nH]c2cc1F 329323454 RZLNELMLOLNQBJ-SKDRFNHKSA-N 275.327 3.585 30 20 CHED CCc1cncc(/C(O)=N/CCO[C@@H]2CCCC[C@@H]2C)c1 331018373 ZELJJCYMVDDNJJ-XJKSGUPXSA-N 290.407 3.544 30 20 CHED CC(=O)c1cc(/C(O)=N/CC2CCCCC2)c(C)nc1C 331113823 JNCNQYCHYHBKIU-UHFFFAOYSA-N 288.391 3.786 30 20 CHED N#C[C@]1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC12CCCC2 333501621 CQRIWTIEBMUUHR-AFIMGQEJSA-N 286.419 3.545 30 20 CHED N#Cc1csc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 334937078 SKQXLFURIWHBRG-QGZVFWFLSA-N 293.395 3.659 30 20 CHED C=C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 335766102 UTHPBCQVIIXRMU-GHMZBOCLSA-N 281.808 3.684 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2ccc(F)c(F)c2)c1 335939459 DBOUNYYHGGPWDQ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2nc(C)oc2c1 336421786 XQIKDDDLHZXGSF-CYBMUJFWSA-N 285.347 3.709 30 20 CHED N#Cc1csc(CN2CC[C@@H]2c2ccccc2)c1 336467132 FACIIGGOGLEMMZ-OAHLLOKOSA-N 254.358 3.567 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1nc2ccccc2n1C 336861496 BJXZCCUREKBHMZ-UHFFFAOYSA-N 298.434 3.725 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1 337130970 KHHWHVJJDZJVEB-UHFFFAOYSA-N 287.366 3.738 30 20 CHED C=CCCN1CCC(Oc2cc(C)ccc2C)CC1 338546238 LHKSWVBWTALPSH-UHFFFAOYSA-N 259.393 3.723 30 20 CHED N#Cc1ccc(OCc2ccc(C(F)(F)F)cn2)c(F)c1 340600105 BFUDJJVKYBZWRU-UHFFFAOYSA-N 296.223 3.690 30 20 CHED CC(C)(CCC#N)CNc1ccc2ncccc2c1[N+](=O)[O-] 340935395 NQJZSFXEQWIQKJ-UHFFFAOYSA-N 298.346 3.885 30 20 CHED CSc1ccccc1CC(=O)Nc1ccccc1CC#N 344383967 IDLRJPJJGSDVRI-UHFFFAOYSA-N 296.395 3.656 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2cccc(OCCCC#N)c2)C1 345189739 SFSYFWDBHZELKX-ZIAGYGMSSA-N 286.375 3.744 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 345771393 GKCFZKYEIPCBKQ-YOEHRIQHSA-N 284.403 3.974 30 20 CHED C=CCOCCCN(Cc1ccccc1)Cc1ccco1 347968340 JKWWOEPANUHVCB-UHFFFAOYSA-N 285.387 3.875 30 20 CHED CCc1c(C)sc(NC(=O)[C@@H](C)c2cccnc2)c1C#N 348169749 NWHGYIALCOJXDF-JTQLQIEISA-N 299.399 3.628 30 20 CHED CCc1cccnc1[C@@H](C)NCC(C)(C)CCC#N 348239611 BMZLTVHYZSOOCH-CYBMUJFWSA-N 259.397 3.625 30 20 CHED C=CCCOCCCCc1nc(-c2ccc(Cl)o2)no1 350917855 UFRTWGLJMFKRFP-UHFFFAOYSA-N 296.754 3.898 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc2cnccc12 352526331 MOLOYOSGQQWAMK-UHFFFAOYSA-N 268.360 3.567 30 20 CHED C=C1CCN(Cc2cc(F)cc3cccnc23)CC1 353320122 KDUJCODRLTWBFN-UHFFFAOYSA-N 256.324 3.526 30 20 CHED C[C@H](C#N)CSc1ccccc1NCC1CCOCC1 354534062 FKUGWMLJWNMRKL-CYBMUJFWSA-N 290.432 3.777 30 20 CHED C[C@@H]1CC[C@H](N(C)C(=O)C[C@H](CC#N)c2ccccc2)C1 357148053 NHGQKCPVZZRIFA-PVAVHDDUSA-N 284.403 3.721 30 20 CHED C=C(CC)CN1CCC[C@H]1c1ccc(OC)c(OC)c1 358631409 AYOPSECVPNMIPZ-HNNXBMFYSA-N 275.392 3.807 30 20 CHED Cc1ccnc(NCc2c(C)c3ccccc3n2C)c1C#N 359830915 AJYGKSJWBRKIHF-UHFFFAOYSA-N 290.370 3.674 30 20 CHED CCC(CC)CN(CCC#N)CCOc1ccccc1C#N 362186971 OZYLXNMPWNAMLK-UHFFFAOYSA-N 299.418 3.589 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCCCCC#N 369183305 LHGCOKJWCMNWRV-RDJZCZTQSA-N 299.418 3.658 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@H](c2ccccc2)C[C@H]1C 375873764 NXMLGROFVNEWBQ-UWWQBHOKSA-N 284.403 3.721 30 20 CHED C#CCCCNC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 378467430 SLJVFJZFTZMZNS-IEBWSBKVSA-N 296.414 3.511 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc2c(c1)OCO2 398205770 YBVFGWHCBNPQMM-QWHCGFSZSA-N 261.365 3.811 30 20 CHED CCCCCN(CCCC1(C#N)CCOCC1)C(C)C 410314656 MYHPMJWEOFTBSX-UHFFFAOYSA-N 280.456 3.988 30 20 CHED CN(C(=O)[C@]1(C#N)CC12CCCC2)C1CCC(C)(C)CC1 410564547 QDBONZXOEAQUFV-GOSISDBHSA-N 288.435 3.888 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 412318934 RNLCQBQMKMHNND-ZFWWWQNUSA-N 287.403 3.802 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(CC)CC 412842142 QCHUMRDYAVMGMT-MRXNPFEDSA-N 259.393 3.726 30 20 CHED C[C@H]1C[C@@H](Nc2c(Cl)cccc2C#N)CS1 413519482 OMRYMKVVNFYHST-WCBMZHEXSA-N 252.770 3.518 30 20 CHED C=CCC1(C(=O)Nc2ccc(F)c(F)c2C)CCC1 414056152 PLPHKZDVGJMNLH-UHFFFAOYSA-N 265.303 3.958 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H](C2CCCC2)C1 420874534 YSCLVULRLNOTHR-LSDHHAIUSA-N 264.413 3.563 30 20 CHED CC[C@@H](NC[C@]1(C)C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 424297176 RACASCVLONSHPR-TVFCKZIOSA-N 284.403 3.557 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 424974072 CHBOFVHNMREHOZ-ARFHVFGLSA-N 276.424 3.791 30 20 CHED C=CCCN(C)Cc1cccc(Cl)c1OCC 425956452 DFNDVVGKZSJUDT-UHFFFAOYSA-N 253.773 3.747 30 20 CHED C=CCC1(C(=O)N(C)Cc2cccc3[nH]ccc23)CCC1 427183089 UERFPVHNRISYNY-UHFFFAOYSA-N 282.387 3.873 30 20 CHED C=CCN(C)Cc1ccc(OC)c(OCc2ccccc2)c1 428372768 MCIHBUBJTOQIJL-UHFFFAOYSA-N 297.398 3.892 30 20 CHED CC(C)c1nc(N(C)CC(C)(C)C#N)cc(C(C)(C)C)n1 432136147 BAGHOQNZLKAWGQ-UHFFFAOYSA-N 288.439 3.883 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCC[C@H](C)C1 432304129 VLDYWGPSERHHAB-JSGCOSHPSA-N 285.391 3.815 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCc2ccccc21 435674417 QRLYMXBCUVMCRG-NJAFHUGGSA-N 271.404 3.635 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc2c(C)cc(C)cc2[nH]1 435731185 JXLJBFYJIBAWIJ-KXBFYZLASA-N 298.430 3.856 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(O)c(OCC)c2)no1 436781600 DNOPTLAMIYMMOO-UHFFFAOYSA-N 288.347 3.695 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](CC)CCCC 437500306 UVCIUNDGOUBDFE-VYDXJSESSA-N 281.440 3.690 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cc(F)ccc2OC(F)F)C1 442876826 YGWYYGPRWJEMPB-PSASIEDQSA-N 270.254 3.531 30 20 CHED CCCCN(C)C(=O)c1cn(CCCC#N)c2ccccc12 443909258 QVKVFHULOQZXOM-UHFFFAOYSA-N 297.402 3.817 30 20 CHED Cc1cc(CNCc2ccc(F)c(Cl)c2)ccc1C#N 443960359 NWVSWQSWTXZAFE-UHFFFAOYSA-N 288.753 3.949 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C)C1 444133676 FTOTVSAXPYFTEZ-PBHICJAKSA-N 299.418 3.667 30 20 CHED C=CC[C@H]1N(C(=O)c2c[nH]c3ncccc23)CCCC1(C)C 444631558 AEKIFHVFKNGAMT-OAHLLOKOSA-N 297.402 3.770 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C(C)C)C1 444880556 SWWBDIMMXWHYJF-HNNXBMFYSA-N 285.391 3.767 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 446096002 SONWMKDPWIKQRY-UAGQMJEPSA-N 286.419 3.662 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1OC 448831194 OZPHAIPFEXSGCC-KGLIPLIRSA-N 286.375 3.722 30 20 CHED CC(C)Oc1ncccc1NC1CCC(C)(C#N)CC1 449205395 KEXSBIAQZUXVPH-UHFFFAOYSA-N 273.380 3.753 30 20 CHED COCCCC[C@@H](NCC1(C#N)CCC1)c1ccccc1 450889378 QNCWXMJRFBIVME-QGZVFWFLSA-N 286.419 3.828 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 451382198 HJIRDAYVQJLCLA-OLZOCXBDSA-N 275.367 3.790 30 20 CHED C=C(CC)CN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C 453337284 AISUHMYNWHJEHI-CQSZACIVSA-N 284.407 3.501 30 20 CHED C=C(C)CCNC(=O)NCc1ccc(OCC)c(Cl)c1 454931770 VCFLILOYYULZLV-UHFFFAOYSA-N 296.798 3.504 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H](c2cccnc2)C(C)C)c1 456966255 NHLJUVAPMOJLBW-KRWDZBQOSA-N 293.370 3.640 30 20 CHED CCCCc1ccc(CC(=O)NCC(C)(C)CC#N)cc1 457983391 AEHQTCKMMNUKQK-UHFFFAOYSA-N 286.419 3.628 30 20 CHED C=C[C@@H](C)NC(=O)N(CCC)[C@H](C)c1ccccc1OC 464759621 ZQKQUSPGSQSSBD-ZIAGYGMSSA-N 290.407 3.752 30 20 CHED CCCCCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 465447642 ZBLLBCJTAXIUKP-IAGOWNOFSA-N 299.418 3.658 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](OC)[C@@H](C)CC)CCCC1(C)C 477121870 OCBYSZVZTAOYPR-KKUMJFAQSA-N 281.440 3.641 30 20 CHED Cc1cccc(NCCCOc2cccc(C#N)c2)c1 477607774 LXNAWPYJUGZWMG-UHFFFAOYSA-N 266.344 3.748 30 20 CHED N#CCc1ccc(NC(=O)c2ccccc2OC2CC2)cc1 478356984 PNAZMGLHROXIEM-UHFFFAOYSA-N 292.338 3.546 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H](c3ccccc3F)C2)cn1 481088740 JQXIXPAUYMSSKR-QWHCGFSZSA-N 281.334 3.841 30 20 CHED C[C@@H]1CCC[C@@H](NCC#Cc2ccc(F)cc2)[C@@H]1C 481180051 LCBDAPHTOZFWFR-CKEIUWERSA-N 259.368 3.592 30 20 CHED CC#CCNC(=O)Nc1ccc2nc(C(C)C)sc2c1 483898651 NIPQGYYGLHPNOH-UHFFFAOYSA-N 287.388 3.565 30 20 CHED C=CCSc1ccccc1C(=O)[C@@H](C#N)c1ccccn1 486978725 CPZSALKXJDBBCD-AWEZNQCLSA-N 294.379 3.850 30 20 CHED C=CCN(CCc1ccco1)c1nc(C(C)(C)C)ns1 489915754 GURADUCRXDHBEW-UHFFFAOYSA-N 291.420 3.664 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccccc1CCC(F)(F)F 491740003 ODXXJECRVBNTND-LLVKDONJSA-N 298.308 3.667 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)CC1CC1 497632510 IDGSQLBNECVPTA-AWEZNQCLSA-N 278.440 3.953 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCC(C)(C)C1 498286473 RONJYSKUPABHEF-CQSZACIVSA-N 290.407 3.598 30 20 CHED CC1(C)CCCN(CCCCC2CCOCC2)[C@@H]1C#N 499730081 BGESHGOLSDZQQZ-MRXNPFEDSA-N 278.440 3.597 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)NCC#Cc1ccccc1 510129533 AGFSSSOYEYFISZ-SFHVURJKSA-N 283.415 3.761 30 20 CHED C=C(CNC(=O)N(CC)C[C@H](C)CC)c1ccccc1 512681614 PPYJWVAQACGMNE-CQSZACIVSA-N 274.408 3.777 30 20 CHED C=CCC[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccco1 513707399 CDQCHAYKBDFPMA-UONOGXRCSA-N 293.407 3.997 30 20 CHED C=CCCCCS(=O)(=O)Cc1ccc(C)cc1C 516971333 VGRUDSZKORHIHE-UHFFFAOYSA-N 266.406 3.575 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1cccc(Cl)c1 517754030 VKPXELZEZVODBS-AWEZNQCLSA-N 265.784 3.744 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(C#N)c1 521274215 UZRLHWNMNGEEMA-GXTWGEPZSA-N 256.349 3.713 30 20 CHED C=CC[C@H](C)NS(=O)(=O)c1ccc(CCC(C)C)cc1 523882692 UZSPDZFSQZTANE-AWEZNQCLSA-N 295.448 3.518 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CC23CCCCC3)C1 531912191 SRTYJVAZKJSRPV-JKIFEVAISA-N 274.408 3.545 30 20 CHED COc1ccc(CN(C)CCCc2ccccc2)cc1C#N 534601088 UXNGMCWUOYPSKP-UHFFFAOYSA-N 294.398 3.631 30 20 CHED CCOc1ccccc1N(C)Cc1ccc(OC)c(C#N)c1 535115834 GQDSPNVTBFUTIJ-UHFFFAOYSA-N 296.370 3.602 30 20 CHED C=CCC(CC=C)C(=O)NCCCc1cccs1 538803341 XISBDWZEVXLOFO-UHFFFAOYSA-N 263.406 3.565 30 20 CHED C=CCN(C(=O)CCC(=O)c1ccc(CCC)cc1)C1CC1 540134929 RLZXDALBTQJKJQ-UHFFFAOYSA-N 299.414 3.779 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cc(C#N)ccc1OCCOC 541533935 LGLRBGXPTYSMPP-KBPBESRZSA-N 288.391 3.596 30 20 CHED N#Cc1cccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1 545035367 OCYGJYGHSZRDDF-UHFFFAOYSA-N 286.294 3.757 30 20 CHED CC[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(C#N)c1C 546223373 JTOUUFNHUCTNAA-NSHDSACASA-N 299.296 3.719 30 20 CHED C=CCC(C)(C)CN[C@@H](C)CC(=O)Nc1cccc(C)c1 556214408 ARCISZNNLFJXFG-HNNXBMFYSA-N 288.435 3.904 30 20 CHED CC(C)c1ccoc1C(=O)N(C)c1cccc(C#N)c1 556396337 VLMCNIJRNJJROC-UHFFFAOYSA-N 268.316 3.551 30 20 CHED Cc1cc(CNCCC(C)(C)C2CC2)ccc1C#N 559354001 ZZTXQDCWLNUBNL-UHFFFAOYSA-N 256.393 3.783 30 20 CHED C=CCN(CC=C)C(=O)c1occc1-c1ccccc1 561266735 XDXYNFQSERZWEI-UHFFFAOYSA-N 267.328 3.761 30 20 CHED COc1cc(CN[C@@H]2CCC[C@H](C3CC3)C2)ccc1C#N 564433268 WYGPMTGVRFUEOI-DOTOQJQBSA-N 284.403 3.625 30 20 CHED Cn1ncc2ccc(CNc3c(Cl)cccc3C#N)cc21 564501967 ICLWZYDOXFNDPY-UHFFFAOYSA-N 296.761 3.710 30 20 CHED C=CCC[C@H](CCC)NCc1cnn2ccccc12 566518659 SDFNAELLILMXRA-HNNXBMFYSA-N 257.381 3.559 30 20 CHED CC[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C(C)C 571614622 WIAQGFVIHCXGRZ-ZDUSSCGKSA-N 289.427 3.503 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Nc2cccc(C#N)c2)c1 576246198 ADNPAZJGDPBFQY-UHFFFAOYSA-N 279.343 3.843 30 20 CHED C[C@H](Cc1ccsc1)Nc1cccc(CC#N)c1 580814378 MGYBNPSVNJEGLD-GFCCVEGCSA-N 256.374 3.857 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@H]1CCC[C@H](C)C1 581754145 CBOOAPVPEYGAHH-KBPBESRZSA-N 276.428 3.602 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1cccc(CC#N)c1 582650204 NVXDYZFJUIDUNZ-QGZVFWFLSA-N 292.382 3.960 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)C1CCCC1 586796937 CNBBEUBTAKWJDL-LBPRGKRZSA-N 285.391 3.755 30 20 CHED Cc1c(C(=O)/C=C\c2c(F)cccc2F)cnn1C(C)C 588559805 OWUWMDFINQCABB-FPLPWBNLSA-N 290.313 3.947 30 20 CHED C=CCOc1ccc([N+](=O)[O-])cc1-c1cccs1 589037066 WVKJQLGBQGTIKT-UHFFFAOYSA-N 261.302 3.888 30 20 CHED Cc1cccc(-c2nnc(S[C@@H]3CC[C@@H](C#N)C3)o2)c1 590708732 HELUNARHDRQVHH-DGCLKSJQSA-N 285.372 3.829 30 20 CHED CC[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1CCCCC1 590982009 CUXZWSAXGZWDJW-QAPCUYQASA-N 288.435 3.936 30 20 CHED CCCc1ccc(CCCC(=O)N(C)[C@H](C)CC#N)cc1 592761710 IYUIAHJXISPEPE-OAHLLOKOSA-N 286.419 3.722 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 593489186 GJUURNGSZRLABB-RBDSIQFVSA-N 290.794 3.703 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(N2CCCCCC2)cc1C 593697856 GLFOPOVVICQQRA-OAHLLOKOSA-N 299.418 3.864 30 20 CHED CCc1nc(SC[C@@H](C#N)CCC#N)c2ccccc2n1 594466904 OLUCODVKFAOUBE-GFCCVEGCSA-N 296.399 3.728 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCCc2ccc(C#N)cc2)o1 594956701 YTKCNNPUCHBRHE-SUMWQHHRSA-N 280.371 3.607 30 20 CHED C=CCCSCCNCc1cnc(-c2ccccc2)nc1 594960215 NHITWUOQDRFHBS-UHFFFAOYSA-N 299.443 3.543 30 20 CHED CC1(C)CCCN(CCc2nsc3ccccc23)[C@H]1C#N 595464924 JLJXUBQWCFVQMP-INIZCTEOSA-N 299.443 3.853 30 20 CHED CCCC[C@@H](CCC)NC(=O)N1CCC[C@@H](CC#N)C1 595536269 XLNSAYGHCCHMDN-LSDHHAIUSA-N 279.428 3.681 30 20 CHED CCCC[C@@H](CC)CCCN(C)C(=O)c1c[nH]c(C#N)c1 596499592 SLIOKCGKGQBVMH-CQSZACIVSA-N 289.423 3.955 30 20 CHED Cc1ccc(-c2ccc([C@H]3NC(=O)C3(C)C)cc2)c(C#N)c1 596631439 RJBQMZJBBUIIFU-QGZVFWFLSA-N 290.366 3.731 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)NCCc2ccc(C#N)cc2)C1(C)C 597893639 HBALMPLGCKFDMA-LIRRHRJNSA-N 298.430 3.679 30 20 CHED CCCC[C@@H](C(=O)NCc1ccc(C#N)cc1)C(C)C 598659770 NIPHQWTVOAKSHN-MRXNPFEDSA-N 272.392 3.637 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@@H]2CC[C@@H](C)O2)no1 599177950 WHTNOGCHCSJUIP-ZOWXZIJZSA-N 297.358 3.527 30 20 CHED Cc1cc(-c2cccc(Cl)c2)n(C[C@@H](C)C#N)n1 601931917 HDQWFGFFNXYRQN-JTQLQIEISA-N 259.740 3.672 30 20 CHED CCS[C@@H]1CC[C@H](N(C)C[C@H](C)CCC#N)C1 602485092 PYBKSFFHKSMSRJ-HZSPNIEDSA-N 254.443 3.532 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1[C@@H](C)CCC1(C)C 602815893 LXYKWKIPYKCYNB-LBPRGKRZSA-N 271.364 3.662 30 20 CHED C=CCN(CC=C)C(=O)CSCc1ccccc1Cl 603766857 CUYWLLRRPRSGPO-UHFFFAOYSA-N 295.835 3.774 30 20 CHED CC(C)(C)c1ccc([C@H](NCC#N)C(F)(F)F)cc1 604484072 WTGUAZHFOWWAQR-LBPRGKRZSA-N 270.298 3.701 30 20 CHED CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)cc1 609033807 JKVNEGHEBZJRSU-SFHVURJKSA-N 292.382 3.699 30 20 CHED COc1ccc2[nH]cc(CCNc3ccc(C#N)cc3)c2c1 609586595 XARWNDBLVQHMRY-UHFFFAOYSA-N 291.354 3.703 30 20 CHED C[C@H]1c2ccc(F)cc2CCN1Cc1cc(F)ccc1C#N 610728808 PEXHWDDYHZCTGM-LBPRGKRZSA-N 298.336 3.956 30 20 CHED CC[C@H](C)[C@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 611251415 SOTGBEWAXPLBQT-UAGQMJEPSA-N 286.419 3.871 30 20 CHED CC1(C)CN(Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 611264947 VGFPUDRZXYKRDX-MRXNPFEDSA-N 266.344 3.734 30 20 CHED CC[C@@H](C)CCCCC(=O)N[C@H](C#N)CC(C)C 612052320 JFFQSIPDEHQONH-KGLIPLIRSA-N 252.402 3.647 30 20 CHED C[C@@]1(C#N)CCCN(CCCc2ccccc2Cl)C1 612158450 LYUJHPSBINZHFB-INIZCTEOSA-N 276.811 3.898 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 612242386 OCVMXSMCSFEHDO-CQSZACIVSA-N 297.185 3.759 30 20 CHED CC(C)C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612366851 XWUYGFIHZZZWJK-MJGOQNOKSA-N 298.430 3.969 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(F)cc(C)cc1F 613274993 LBDZLBUZCZFOJR-NSHDSACASA-N 267.319 3.748 30 20 CHED CCn1nc(C)c(Nc2nc(C(C)(C)C)ccc2C#N)c1C 613426063 QKHIFLUSDLEPMI-UHFFFAOYSA-N 297.406 3.828 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1 614509707 RCLMZPDUNDKJEU-DLBZAZTESA-N 284.403 3.791 30 20 CHED C=CCC1(C(=O)Nc2nccc3ccccc23)CCC1 615886570 NKDXWWRKLNYASX-UHFFFAOYSA-N 266.344 3.920 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc3nccc(C)c3c2)C1 617778196 AAZLCIOEENCVAX-HNNXBMFYSA-N 294.398 3.972 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)C1 617782230 AFMVPVLCEIIWMU-BPAFIMBUSA-N 295.426 3.705 30 20 CHED C[C@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)CC(C)(C)C 617984579 SFWQKYZZHQMUTB-ZIAGYGMSSA-N 278.440 3.990 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CSCc3ccccc32)C1 618570469 FCMMOODUUXNYKV-XNRPHZJLSA-N 272.417 3.646 30 20 CHED C[C@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccsc1 618787538 KOBLMHJWOYDTOJ-MEDUHNTESA-N 296.395 3.527 30 20 CHED C=CCC1(NC(=O)Cc2ccc(OCC)cc2)CCCC1 619105466 GHNZPSQOURKIFA-UHFFFAOYSA-N 287.403 3.633 30 20 CHED C=CCC1(NC(=O)CCC(=O)c2ccc(C)cc2)CCCC1 619106343 OQOVOTFZECOTDX-UHFFFAOYSA-N 299.414 3.963 30 20 CHED C=CCC1(NC(=O)Cc2ccc3c(c2)CCCO3)CCCC1 619111614 AXBOXJPSNYBUIM-UHFFFAOYSA-N 299.414 3.559 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCc2cc(C#N)ccc21 619554199 WGSPGONFOSYCDV-NEWSRXKRSA-N 296.414 3.506 30 20 CHED C=CCN(C(=O)c1cnc2ccccc2c1)C(C)(C)C 622945814 UJTQWBUAQRIMOZ-UHFFFAOYSA-N 268.360 3.662 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cnc(C)s2)C1 633470719 OCCVOALBBUYFNU-WCQYABFASA-N 293.436 3.510 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 641470556 NRXJDLQJBXJJKR-QWHCGFSZSA-N 297.320 3.890 30 20 CHED C=C(CNC(=O)N(C)CCC(C)(C)C)c1ccccc1 645504035 CIDMKAHOZKYPPJ-UHFFFAOYSA-N 274.408 3.777 30 20 CHED C=CCC1(C(=O)N2CCC3(CCC3)CC2)CCCC1 650095927 IFZNCRICFLMGAI-UHFFFAOYSA-N 261.409 3.916 30 20 CHED C=CCCNC/C(C)=C\c1ccccc1OC(F)F 657583959 UUSICWJFGJIXOX-BENRWUELSA-N 267.319 3.857 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](C2CCCCC2)C1 660681676 UAGFYCMONSOXET-ZFWWWQNUSA-N 264.413 3.563 30 20 CHED C=CCCC(=O)Nc1ccc2c(Cl)cccc2n1 672106947 KQMKJYMPNVLQLA-UHFFFAOYSA-N 260.724 3.793 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCCN(Cc2ccccc2)C1 695864614 NEIDCQKVIMVZJZ-WMZOPIPTSA-N 299.462 3.569 30 20 CHED C=CCCC(C)(C)NC(=O)c1cnc(Cl)c(Cl)c1 717673688 SUYZWJGETFSDGP-UHFFFAOYSA-N 287.190 3.863 30 20 CHED CC(=NNCc1ccc(Br)cc1)c1ccco1 726739920 MDVSPCARZIMNTD-UHFFFAOYSA-N 293.164 3.556 30 20 CHED C#CCCCOC(=O)[C@H](C)Oc1cccc(C(C)C)c1 727040994 QFKIBCBQBULKPA-AWEZNQCLSA-N 274.360 3.534 30 20 CHED C=CCOCC(=O)Oc1ccc([C@@H](C)c2ccccc2)cc1 729656221 UZZOIXRZPCRHTH-HNNXBMFYSA-N 296.366 3.946 30 20 CHED Cc1ccc(NN=Cc2cc(Cl)cc(Cl)c2)nn1 729937802 FQCIZVYPCOVHFY-UHFFFAOYSA-N 281.146 3.538 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)c1ccccc1 730434409 LOFDQRGGZNSAHN-OOIIIRTPSA-N 255.317 3.581 30 20 CHED COCC(CC(C)C)=NNc1ccccc1Cl 730721359 FBRRIOCWURVCEC-UHFFFAOYSA-N 254.761 3.800 30 20 CHED Oc1nc2ccccc2cc1/C=N/CC1CCSCC1 733205190 MQJTWQQPUAUBKP-GZTJUZNOSA-N 286.400 3.503 30 20 CHED C=CC[C@@H](NC(=O)N(C)C(C1CC1)C1CC1)c1ccncc1 734679309 FXNIXZIKUSDDJT-MRXNPFEDSA-N 299.418 3.529 30 20 CHED C=CCCCOC(=O)CSc1ccc(C)cc1C 735524636 SIUOMSICOYYJBS-UHFFFAOYSA-N 264.390 3.905 30 20 CHED C=CCCCOC(=O)c1c[nH]cc1-c1ccccc1OC 735535621 XKUAMJBENCNNNE-UHFFFAOYSA-N 285.343 3.813 30 20 CHED Cc1ccc(C=NNc2c(F)cccc2F)cc1[N+](=O)[O-] 735614735 ACZHEGKJQHXXOM-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C=CCCOCC(=O)OCCCc1cccc2ccccc12 736801242 RHKLJOVFKGUGJS-UHFFFAOYSA-N 298.382 3.908 30 20 CHED COCc1cccc(C=NNc2cccc(Cl)c2)c1 743420321 CTCLSBAEHRJTDL-UHFFFAOYSA-N 274.751 3.932 30 20 CHED Cc1cc(C)c(NN=Cc2cnn(C(C)C)c2)c(C)c1 743445344 QMUBJZLFMJJIEK-UHFFFAOYSA-N 270.380 3.835 30 20 CHED C=CCN(CCc1ccccc1)C(=O)/C=C(\C)C1CC1 743683178 APPBDBSAWAPSEY-CCEZHUSRSA-N 269.388 3.600 30 20 CHED CCOc1cccc([C@H](C)/N=C/c2cc(OC)ccc2O)c1 745012713 ONJYCKWLYHHIDW-HCZVKUGISA-N 299.370 3.980 30 20 CHED CC(C)(C)n1cc(C=NNc2ccc(Cl)c(F)c2)cn1 747635240 IQYFNZFSMNBMMU-UHFFFAOYSA-N 294.761 3.877 30 20 CHED C=CCCC(=NNC(=S)NC1CCCCC1)C1CC1 747739894 DDDNSCBYRASBHV-UHFFFAOYSA-N 279.453 3.515 30 20 CHED N#Cc1c[nH]c(C(=O)OCc2cc(Cl)ccc2Cl)c1 748227355 NWISQMNTAKNWQP-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C#CCN(CC)C(=O)Nc1cccc(Cl)c1OC(C)C 749226296 ANDNLZUUGPLZJH-UHFFFAOYSA-N 294.782 3.614 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCO3)Cc2c(F)ccc(F)c21 749582867 PYVMQQOZZOAOEK-XYOKQWHBSA-N 298.288 3.722 30 20 CHED C[C@@H]1CC(=NNc2cnccn2)C[C@@H](c2ccccc2)C1 749857964 ITNUOPWXDYFQKL-ZFWWWQNUSA-N 280.375 3.848 30 20 CHED CC(C)=C(C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 751377819 KXGUPSCZRYMCET-ZDUSSCGKSA-N 296.292 3.743 30 20 CHED Cc1ccc(C(=O)OCc2ccccc2C(C)(C)C#N)nc1 753481967 SYNHFPATPJWIOC-UHFFFAOYSA-N 294.354 3.548 30 20 CHED C=C(Cl)COC(=O)[C@@H](OC(C)(C)C)c1ccccc1 754314692 LEQUMGBFAJHOET-ZDUSSCGKSA-N 282.767 3.839 30 20 CHED C#C[C@@H](CC)NC(=O)c1cccc(Oc2ccccc2)c1 754393672 DIRDUSHFGJFFTO-HNNXBMFYSA-N 279.339 3.621 30 20 CHED O=C(O)c1ccc(NN=C[C@H]2C[C@@H]2c2ccccc2)cc1 755455151 LNOGVYOSURHEBR-GDBMZVCRSA-N 280.327 3.586 30 20 CHED C=C(C)[C@@H](C)OC(=O)Cc1c[nH]c2c(C)cccc12 755990087 BIVWNWRYRGJEHA-GFCCVEGCSA-N 257.333 3.527 30 20 CHED C=C(CN[C@H](C)c1cc(F)ccc1O)c1ccccc1 756483416 NJSDHNKEURDNKW-CYBMUJFWSA-N 271.335 3.895 30 20 CHED CN(C)c1ccc(/C=C2\CCCC(C)(C)C2=O)cc1 757535395 SCUJXMZCEJVXOX-WYMLVPIESA-N 257.377 3.915 30 20 CHED C#CCCCC(=O)Nc1cccc(OCCC(C)C)c1 757878209 TVLCOALTTKQBNE-UHFFFAOYSA-N 273.376 3.854 30 20 CHED Cc1oc2ccccc2c1C=NNc1ccc(Cl)nn1 758092058 FMYOXRAOGLZOHV-UHFFFAOYSA-N 286.722 3.631 30 20 CHED Cc1cc(C(=O)OCc2ccc(F)c(C#N)c2)c(C)s1 758928045 MXRIANQJXGEURL-UHFFFAOYSA-N 289.331 3.733 30 20 CHED C=CCC(CC=C)C(=O)OCCc1ccc(OC)cc1 759010071 INCICMVTDZXLMY-UHFFFAOYSA-N 274.360 3.549 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccc([N+](=O)[O-])cc1 759074064 RZCPABRSLSVARX-WAYWQWQTSA-N 294.719 3.601 30 20 CHED O=C(/C=C/c1nc(Cl)cs1)c1cc(F)ccc1F 759077848 ZMMMEGYJVXYPMO-ONEGZZNKSA-N 285.702 3.971 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)Cc2ccc(F)cc21 759084776 QSTQUZHOLDKIGJ-XBXARRHUSA-N 279.723 3.758 30 20 CHED CC[C@@H](C)n1ncc(C(=O)OCCCCC#N)c1C1CC1 760625730 YYZNKKWWTMWIFF-GFCCVEGCSA-N 289.379 3.582 30 20 CHED C#CCCN1Cc2ccccc2C[C@H]1c1ccccc1 760839822 DAOIJBICJKQBOX-IBGZPJMESA-N 261.368 3.809 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccccc1O 761478353 DQINJWHEKWFRDS-FNORWQNLSA-N 294.137 3.990 30 20 CHED N#Cc1c(F)ccc(C=NNC2CCCCC2)c1Cl 761831667 STBNUXZCQYRXPM-UHFFFAOYSA-N 279.746 3.607 30 20 CHED C#CCOc1ccccc1-c1noc(C2(CC)CCC2)n1 761995119 FZVUWVKFMZALFA-UHFFFAOYSA-N 282.343 3.580 30 20 CHED CC#CCCCC(=O)Oc1ccccc1Oc1ccccn1 767076607 JNWCMFGLDRYZSE-UHFFFAOYSA-N 295.338 3.973 30 20 CHED Clc1ccc(Cl)c(NN=Cc2cncs2)c1 767787199 FZFWQZNNBXXGSM-UHFFFAOYSA-N 272.160 3.896 30 20 CHED COc1ccc(NN=CC2CCCCC2)c([N+](=O)[O-])c1 767797157 NJXZJKRZDDOHPK-UHFFFAOYSA-N 277.324 3.581 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc2cn(C(C)C)nc2c1 768712253 OHHFUDGXCNQDCL-UHFFFAOYSA-N 283.375 3.605 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3CCC[C@H]3C)[nH]c12 769300772 UEJBKLXPNONLAG-KWCYVHTRSA-N 295.386 3.874 30 20 CHED N#CCC[C@@H](NC(=O)[C@@H](F)c1ccccc1)c1ccccc1 769453302 NDNTUVYTORPBPS-SJORKVTESA-N 296.345 3.858 30 20 CHED CCc1noc(C)c1C(C)=NNc1ccc2ccccc2n1 769797908 NIDJRGHVRYXGCW-UHFFFAOYSA-N 294.358 3.930 30 20 CHED C#CCCCCc1nc([C@H](OCC)c2ccccc2)no1 771732682 ZQDIPQGRIQGLJO-MRXNPFEDSA-N 284.359 3.542 30 20 CHED COc1cc(Cl)ccc1N[C@H](C#N)Cc1ccccc1 773963408 HPCNMAKYYFRMQW-AWEZNQCLSA-N 286.762 3.895 30 20 CHED C=CCCC[C@H](C)NS(=O)(=O)/C=C/c1ccc(C)cc1 775747591 UHIIYTCUOJUIHC-LHNRBYRGSA-N 293.432 3.630 30 20 CHED C#CCCCCCC(=O)N1CCC(CC)(CC)CC1 777209431 LEYLJPIKPSEABV-UHFFFAOYSA-N 263.425 3.999 30 20 CHED Cc1cc(C=NOCCC(F)(F)F)c(C)s1 777456248 VOGYVHQCHZWSGH-UHFFFAOYSA-N 251.273 3.668 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccc(F)c(F)c1 779788193 WTUULZUYCIBECM-UHFFFAOYSA-N 279.330 3.507 30 20 CHED C#CCCCCCC(=O)NCCc1ccc(F)cc1Cl 779912816 IOEVXVCXKZNKIH-UHFFFAOYSA-N 295.785 3.722 30 20 CHED FC(F)Sc1ccc(C=NNC2CCCC2)cc1 781591508 ISZFSFDKPJCQHS-UHFFFAOYSA-N 270.348 3.867 30 20 CHED C=CCCCOC(=O)Cc1c[nH]c2cccc(OCC)c12 782458041 ICKQYOIPFCHEDC-UHFFFAOYSA-N 287.359 3.619 30 20 CHED CC(C)(C#N)CCCOC(=O)CNc1ccccc1Cl 783640929 FKZJHQYZCRCLTM-UHFFFAOYSA-N 294.782 3.625 30 20 CHED C#CCCCOc1cc(OCc2ccccc2)ccc1C=O 783926215 JKJPKLWWKBBUNT-UHFFFAOYSA-N 294.350 3.870 30 20 CHED CCCCCC[C@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 784174389 NQSJPLIIBDAICN-HOCLYGCPSA-N 279.428 3.681 30 20 CHED C=C[C@H]1CCCCN1c1nc2ccc([N+](=O)[O-])cc2s1 784672382 RSPVNYCQMXRVMV-JTQLQIEISA-N 289.360 3.749 30 20 CHED C[C@@H]1CCC[C@@H]1CC(=O)OCCCC(C)(C)C#N 784755753 RYSMMIMBWRYNCG-CHWSQXEVSA-N 251.370 3.686 30 20 CHED CCc1ccccc1CC(=O)OCc1cccc(C#N)c1F 785832391 UULUBNAQPAJJAD-UHFFFAOYSA-N 297.329 3.546 30 20 CHED CCOCCC=NN=C(c1ccccc1)c1ccccc1 788408524 MHRYYHWZPOHAIC-UHFFFAOYSA-N 280.371 3.936 30 20 CHED Cc1cc(C=NNc2ccc(F)cc2F)cc(Cl)n1 788699217 SVMSYHVZKZAHTE-UHFFFAOYSA-N 281.693 3.768 30 20 CHED C#CCCOC(=O)CCC[C@@H](C)c1cccc(OC)c1 789047740 LXPLGIDICYZAQO-CQSZACIVSA-N 274.360 3.536 30 20 CHED C#C[C@H](CCC)NC(=O)c1cc2cccc(Cl)c2o1 791204982 KXGYXNYDKBUQIE-LLVKDONJSA-N 275.735 3.618 30 20 CHED CC(CN1Cc2ccccc2C1)=NOC1CCCCC1 792640437 CLTQHPFXGLBPLG-UHFFFAOYSA-N 272.392 3.727 30 20 CHED CC(=NNCC1(C)CCCC1)c1ccc(Cl)cn1 793083648 CYRJSOPZRZOLPA-UHFFFAOYSA-N 265.788 3.629 30 20 CHED Cc1ccccc1-n1nccc1C=NN[C@H](C)C(C)(C)C 793110904 CKEGGQAUPQZNPA-CQSZACIVSA-N 284.407 3.539 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCCc2c1cnn2C 793523036 HNGFPLRUFKQXQL-GOEBONIOSA-N 275.440 3.912 30 20 CHED Cc1cccc(CC/N=C\c2c(O)ccc3ccccc23)n1 794834737 SQHAVVPINDTOOB-MOSHPQCFSA-N 290.366 3.910 30 20 CHED FCC[C@H]1CCCC1=NNc1cc(Cl)ccn1 794928277 VAGHFSNVDGLSIC-SECBINFHSA-N 255.724 3.663 30 20 CHED C[C@@H](CC=NNc1cccc(F)n1)c1ccccc1 795006701 JPMCORWOZDPDKC-LBPRGKRZSA-N 257.312 3.812 30 20 CHED CCc1nnc(SC/C(C)=C\Cl)c(C#N)c1CC 797830691 YEALRAWJOJTOMO-TWGQIWQCSA-N 281.812 3.708 30 20 CHED C=CC[C@H](CC)NC(=O)c1nc(-c2cccs2)oc1C 798554965 WKKJFVDRVORXRA-NSHDSACASA-N 290.388 3.796 30 20 CHED Cc1ccc(-c2nc(-c3cccc(F)c3)no2)cc1C#N 799760656 NCMYCPDSKARUDH-UHFFFAOYSA-N 279.274 3.723 30 20 CHED COCC[C@H]1CCCC1=NN[C@@H]1CCCCC1(C)C 799887185 PZIAOXPWEULRFC-UKRRQHHQSA-N 266.429 3.737 30 20 CHED Cc1cc(C)nc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1 802101653 ROELFNNRRYPJKA-GFCCVEGCSA-N 299.399 3.768 30 20 CHED C=CC[C@H](OC(=O)/C=C/c1ccc[nH]1)c1ccccc1 802187001 XRIVBISLCWEJPG-PCUGXKRQSA-N 267.328 3.889 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc(Cl)cc1C 802767460 UZTJSLDWRVZKRR-AWEZNQCLSA-N 265.740 3.632 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C 805331695 GQXJVJCTDKOEKI-DLBZAZTESA-N 294.483 3.822 30 20 CHED CCCCCCCCN1CC[C@H](N2CCCC2)[C@H]1C 805767790 HFRSJDVYLVRZCT-SJORKVTESA-N 266.473 3.906 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H]2CCC2(C)C)cc1 806169600 NXWSQYFFGWVNIT-CJNGLKHVSA-N 257.377 3.538 30 20 CHED CC(=NNc1ccccn1)c1c(F)cccc1Cl 807950424 SKGGTTQFJZVTPB-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C=CCCC(=NNc1nccnc1C1CCC1)C1CC1 807992011 XWZGCMMPAQMTRN-UHFFFAOYSA-N 270.380 3.888 30 20 CHED Cc1cc(-c2noc(-c3ccc(C)c(C#N)c3)n2)c(C)o1 809483818 LAOZNOKVFIJBDH-UHFFFAOYSA-N 279.299 3.794 30 20 CHED C#Cc1ccc(CNc2ccc(-c3nnc(C)o3)cc2)cc1 809600427 IEWHHILJYADUFM-UHFFFAOYSA-N 289.338 3.638 30 20 CHED C#C[C@@H](NC/C=C/c1ccc(F)cc1F)C(C)(C)C 809782903 KLNWGIVRXATOKW-LQYUOIDQSA-N 263.331 3.616 30 20 CHED CSc1ccc(C(C)=NNC[C@H]2CCSC2)cc1F 811658264 DWGXGVSFXGAFBG-LLVKDONJSA-N 298.452 3.614 30 20 CHED C[C@H](COc1ccccc1)NN=C1CCC[C@H]1CCCF 811667801 DIJUIVHRPFMGRB-CABCVRRESA-N 292.398 3.949 30 20 CHED Cc1cccc2c1C/C(=C\c1cccc(F)c1C#N)C2=O 811690044 SMJFWXFGDTXNDT-MDWZMJQESA-N 277.298 3.828 30 20 CHED C=CC[C@H](NC(=O)N1CC(C)(C)[C@@H]1C1CC1)c1ccncc1 812048022 LGPHOSMIUIVODU-HOTGVXAUSA-N 299.418 3.529 30 20 CHED COCc1ccccc1/C=C(/C)C=NOCCSC 814229998 ISKMJZHESTXMSM-BQVBJWNASA-N 279.405 3.602 30 20 CHED Fc1ccc(NN=Cc2nc3c(s2)CCCC3)c(F)c1 814686663 VNGGYTUKRSEWFE-UHFFFAOYSA-N 293.342 3.746 30 20 CHED CC(=NNc1cccc2ccccc12)c1csnn1 814822867 HPAICXOPPBICHN-UHFFFAOYSA-N 268.345 3.527 30 20 CHED Fc1cc(F)cc(C2CC(=NNC[C@@H]3CCSC3)C2)c1 814936040 WOSKTBRDGWYJBX-NUHJPDEHSA-N 296.386 3.541 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 822432773 LZHAAFNHDLRESS-NVXWUHKLSA-N 299.414 3.739 30 20 CHED C=CCCCC[C@H](C)NC[C@H](O)c1ccccc1F 823691904 YQISWSXCBOPGAF-BBRMVZONSA-N 265.372 3.584 30 20 CHED N#Cc1ccc(F)c(C(=O)NCCC2=CCCCCC2)c1 832259383 JKIAQTGJHQZSSJ-UHFFFAOYSA-N 286.350 3.708 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(C(=O)O)cc2)c1 832967102 BZROPRHQKTZWRI-BJMVGYQFSA-N 266.296 3.589 30 20 CHED CC(Cc1coc2ccccc12)=NOCCOC(C)C 834981593 SYJVUQBIDPIGCJ-UHFFFAOYSA-N 275.348 3.793 30 20 CHED CC1(C)C(=NN[C@@H]2CCOC2(C)C)C[C@H]1c1ccccc1 835017029 JPSOSKINXWHHPQ-LSDHHAIUSA-N 286.419 3.713 30 20 CHED C#CC[C@H](OC(=O)[C@@H](CC)CC(F)(F)F)c1ccccn1 835135016 ZZUGKFMLNKJLDF-AAEUAGOBSA-N 299.292 3.668 30 20 CHED C#CC[C@H](OC(=O)c1cc2ccncc2s1)C(C)C 835200480 KPKJYMLNXSSHRY-LBPRGKRZSA-N 273.357 3.501 30 20 CHED C=C[C@@H](CC(=O)OCC1CC(F)(F)C1)c1ccccc1 835487400 CVOVXNAPFOFWEF-ZDUSSCGKSA-N 280.314 3.935 30 20 CHED CC(C)(C)C#CC(=O)NCC(F)(F)c1ccc(Cl)cc1 837644809 QCPOBNOFBJEXLI-UHFFFAOYSA-N 299.748 3.598 30 20 CHED CC[C@@H]1CCCC[C@@H]1OCC(=O)O[C@H]1CCC[C@H](C#N)C1 839048912 DBSCDEVSJNLAHG-FZKCQIBNSA-N 293.407 3.597 30 20 CHED CC[C@H]1CC[C@@H](C(=O)Nc2cc3ccccc3cc2C#N)O1 839435406 MJMVJNXSQNLQGP-RDJZCZTQSA-N 294.354 3.608 30 20 CHED C=C(C)CN(CC)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 839465629 YNZHOUDFVDRPBT-HNNXBMFYSA-N 296.455 3.532 30 20 CHED COc1cccc(C=Nc2ccc([C@@H]3CCOC3)cc2)c1O 840706726 OHRMLXPCUNILNY-OAHLLOKOSA-N 297.354 3.655 30 20 CHED CCOc1ccc(/C=N\CCCc2ncccc2C)c(O)c1 840707846 ALWIEMURNRHJGW-UYRXBGFRSA-N 298.386 3.546 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)CCCc1ccsc1 841344428 KQRRYDZEPXXCFG-UHFFFAOYSA-N 296.395 3.532 30 20 CHED CC(CCCCC#N)=NNc1cc([N+](=O)[O-])ccc1C 841622608 YQPDWTNLEVIJGE-UHFFFAOYSA-N 274.324 3.775 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@@H]1C[C@H]1CC(C)(C)C 842683379 XGNADZXJWSOBJT-QWHCGFSZSA-N 287.359 3.545 30 20 CHED N#C[C@H](C(=O)CCCC1CC1)c1nc(C2CC2)cs1 842944417 KKHROQFNTCLKBT-GFCCVEGCSA-N 274.389 3.777 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc(N(C)C)cc2)co1 844552520 MBNSSQPTXAQGST-JXMROGBWSA-N 284.359 3.760 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)co1 844552961 OTQMFCZLGKSAFQ-VOTSOKGWSA-N 287.363 3.715 30 20 CHED C=C(C)CONC(=O)Nc1cc(C)cc(C(F)(F)F)c1 844647085 ZKTCATZQNZHROR-UHFFFAOYSA-N 288.269 3.643 30 20 CHED C#CCCCN1CCC(=Cc2cccc(F)c2)CC1 846829895 IWCKYLSTIWNJOT-UHFFFAOYSA-N 257.352 3.718 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C)[C@@H](C#N)CC 847170419 ZEDVNFCSIHLQCJ-UONOGXRCSA-N 252.402 3.744 30 20 CHED C#CC[C@@H](OC(=O)c1cccc(C2CC2)c1)c1ccccn1 847640648 VBBPOTGXYXLJJR-GOSISDBHSA-N 291.350 3.880 30 20 CHED CCOc1cccc(C(=O)/C=C/c2c(C3CC3)cnn2C)c1 849245307 GUZWRZVSNHWNIP-MDZDMXLPSA-N 296.370 3.592 30 20 CHED CC(C)(C)OCCCCOC(=O)CC1(C#N)CCCCC1 849907172 VZDLAQUWHNXAIZ-UHFFFAOYSA-N 295.423 3.989 30 20 CHED CC1(C)CC(C(=O)[C@@H](C#N)c2ccncn2)CC(C)(C)C1 850948341 RIUIEDRTBLBOCQ-ZDUSSCGKSA-N 285.391 3.505 30 20 CHED CCc1nc(C#N)cc(N2CCCC[C@H]2c2ccccc2)n1 853479630 MYQBERZNQPQQTE-INIZCTEOSA-N 292.386 3.642 30 20 CHED C=C(Cl)CS[C@@H](CC)C(=O)OC(C)(C)C 853783132 HCMNCMQPPGPEHU-VIFPVBQESA-N 250.791 3.592 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CC[C@@H]2C[C@H]2C1 856065959 QHRRPHMAHJMTJR-IKGGRYGDSA-N 295.467 3.747 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C[C@@H](C)c1ccco1 860465175 GZTWJXVSNGHSHQ-GFCCVEGCSA-N 299.326 3.649 30 20 CHED CC#CCCCC(=O)N[C@H]1CCc2ccc(Cl)cc21 863637712 QOPNQTFIIQQEBL-HNNXBMFYSA-N 275.779 3.637 30 20 CHED CCOc1ccccc1C=NNCc1ccccc1Cl 864028871 JUXONWQMWAQATN-UHFFFAOYSA-N 288.778 3.862 30 20 CHED C=C1CCC(C(=O)N2CC=C(c3ccc(O)cc3)CC2)CC1 887822747 UODPOQPAMFERNZ-UHFFFAOYSA-N 297.398 3.754 30 20 CHED CC(C)C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C1 888359733 MXLHCOHYKZFDRB-CYBMUJFWSA-N 289.354 3.597 30 20 CHED C=C1CCC(C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)CC1 889023896 NTAWIQYGIWDVTF-KBMXLJTQSA-N 261.409 3.912 30 20 CHED C=CC1(OC(=O)Cc2scnc2-c2ccccc2)CC1 893359255 VMAAMVODSBBBHU-UHFFFAOYSA-N 285.368 3.614 30 20 CHED C=C1CN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)C1 898698240 IIOFOVIJSYQNDQ-AVJIGQEQSA-N 299.336 3.534 30 20 CHED CC1(C)CCC/C(=C\c2cnn(C3CCC3)c2)C1=O 899363246 IRXLRMGCTNTFKF-UKTHLTGXSA-N 258.365 3.771 30 20 CHED C=C(C)c1cccc(NC(=O)C23CCC(C(=O)O)(CC2)C3)c1 908248861 IYNUQOYARVROIK-UHFFFAOYSA-N 299.370 3.693 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1 908635162 FPPLUHHXWGAZOB-WBVHZDCISA-N 299.414 3.707 30 20 CHED Cc1cccc(CN(C)C(=O)/C=C\c2ccccc2C#N)c1 914488537 FHIQTCZNKPKQJU-KHPPLWFESA-N 290.366 3.539 30 20 CHED CCCCCCCCCC(=O)N1CCN(C(C)C)CC1 914525275 LDSHJNDWCKFAOS-UHFFFAOYSA-N 282.472 3.680 30 20 CHED COCc1ccccc1C/N=C\c1cc(Cl)ccc1O 914557829 LYPTYUMOPIAYIJ-ZDLGFXPLSA-N 289.762 3.811 30 20 CHED COc1c(C)ccc(N=Cc2ccccc2O)c1C 914701922 RSIWWBNTNZIQHD-UHFFFAOYSA-N 255.317 3.768 30 20 CHED Cc1noc(C)c1/C=C/C(=O)c1c(C)[nH]c2ccccc12 915114610 NYNKIAFGFULPNB-CMDGGOBGSA-N 280.327 3.977 30 20 CHED Cc1ccc(C=NNc2ncnc3sccc23)cc1C 915955422 ZQUGTMCRLGLOGB-UHFFFAOYSA-N 282.372 3.754 30 20 CHED C=C(C)CN(CC)C(=S)N[C@H](C)c1ccccc1 915995549 BWFZNIACBRUORN-CYBMUJFWSA-N 262.422 3.520 30 20 CHED C=CCOc1cccc(C=NNc2ccc(F)cc2)c1 916268204 QIDMBPAOPAVGAH-UHFFFAOYSA-N 270.307 3.837 30 20 CHED Cc1ccc(-c2nnc(S)n2N=C[C@H]2CC=CCC2)cc1 916306310 HFFWWHMGTKYHMP-ZDUSSCGKSA-N 298.415 3.732 30 20 CHED Cc1cc([C@@H](C#N)C(=O)C[C@@H](C)CC(C)(C)C)nc(C)n1 916880115 KNUVDASPWXFRRK-BXUZGUMPSA-N 287.407 3.732 30 20 CHED Clc1ccc(C=NNc2ncccc2Cl)cc1 917549116 IXWCJILQKIQVHE-UHFFFAOYSA-N 266.131 3.834 30 20 CHED CCCCCCCCCN(C)C(=O)Cn1nc(C)cc1C 918398145 XAKGIJJPJIZXNC-UHFFFAOYSA-N 293.455 3.709 30 20 CHED CC(C)(C)c1ncc(C=NNc2nc3ccccc3[nH]2)s1 920361950 DQZBOAHFMXCGJK-UHFFFAOYSA-N 299.403 3.763 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1ccccn1 921137826 NLQYPKCIZPEDKR-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C[C@@H](C(=O)N1CCC[C@H](C#N)C1)c1ccc2ccccc2c1 928220419 IRXUAGBSQIAFTL-HUUCEWRRSA-N 292.382 3.705 30 20 CHED Cc1cccc2oc(C(=O)N[C@](C)(C#N)CC(C)C)cc12 931304962 ZEDDGAJHSZCOPA-KRWDZBQOSA-N 284.359 3.799 30 20 CHED N#C[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 932151632 DLOWCNPTRCJYIT-LBPRGKRZSA-N 256.374 3.637 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#N)c1 933854914 NOFYENOOHYNHDG-CABCVRRESA-N 292.382 3.848 30 20 CHED C=C[C@H](CC)CC(=O)N(c1nc(C)cs1)C1CC1 933936785 NSYJCQMMWCRKQD-LLVKDONJSA-N 264.394 3.549 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(CN2CCCC2)c1 1116262149 QOTDPPPRLMBJIX-UHFFFAOYSA-N 298.430 3.989 30 20 CHED CSc1ccc(C=NNCc2ccc(F)cc2)cc1 1116291180 JKLWFIHLOXZLKH-UHFFFAOYSA-N 274.364 3.671 30 20 CHED Cc1ccc(C)c(CC(=O)OCc2ccc(C#N)s2)c1 1118397757 HTNUDDVNPZFCEE-UHFFFAOYSA-N 285.368 3.523 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F 1123539669 UTFGJCXDILJVFU-JTQLQIEISA-N 271.282 3.849 30 20 CHED C[C@@H]1CCC[C@H](N(C)C(=O)[C@H](CC#N)c2ccccc2)C1 1124859305 ZRJJWDGGOCQNMY-HYVNUMGLSA-N 284.403 3.721 30 20 CHED CC(C)(C(=O)Nc1cccc(CC#N)c1)c1cccc(F)c1 1128981938 INTYNTJFEMAGSR-UHFFFAOYSA-N 296.345 3.808 30 20 CHED N#CC[C@@H](C(=O)OC1CCC(F)(F)CC1)c1ccccc1 1131486002 YBASZPLBCAZTQU-CQSZACIVSA-N 293.313 3.805 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CCC1(C)CC1 1137527153 QKVNYMYVYYKVQH-UHFFFAOYSA-N 271.364 3.509 30 20 CHED Cc1c(Cl)cnc(N[C@H](C)CCC2CC2)c1C#N 1163126998 IRZWEYWUCMSUQF-SECBINFHSA-N 263.772 3.906 30 20 CHED CCc1ccc(CCN2CCCC(C)(C)[C@H]2C#N)cc1 1194101632 OMJKFXSMGQUOSZ-QGZVFWFLSA-N 270.420 3.806 30 20 CHED N#CC[C@@H](OC(=O)C12CCC(CC1)CC2)c1ccco1 1263660760 OQNWRWVFBVRGKS-CXOJTPOUSA-N 273.332 3.748 30 20 CHED CO[C@H](COc1cccc(F)c1C#N)c1ccc(F)cc1 1307320146 UCXIPBSHOFIDHA-MRXNPFEDSA-N 289.281 3.603 30 20 CHED C[C@H]1CN(C[C@H](C)CCC#N)c2cccc(Cl)c2O1 1308728557 IMTJKSVZYXSJEG-NEPJUHHUSA-N 278.783 3.867 30 20 CHED CC(C)[C@@H](C#N)C=NNc1c(F)cccc1Cl 1320330837 MZILPZRFYDLKGH-VIFPVBQESA-N 253.708 3.673 30 20 CHED N#Cc1cccc(-c2nnc([C@H]3CC34CCCC4)o2)c1 1324183247 MRUBQBFJILPNQE-CYBMUJFWSA-N 265.316 3.656 30 20 CHED CC(C)(CCc1ccccc1)NC(=O)c1csc(C#N)c1 1330505632 RVWCTZWLJMXQQM-UHFFFAOYSA-N 298.411 3.761 30 20 CHED C=C(C)CCC(=O)N(CC)Cc1c[nH]c2ccccc12 1337357075 IDXFKBSMUWHMOE-UHFFFAOYSA-N 270.376 3.873 30 20 CHED C=CC(C)(C)CC(=O)O[C@@H](c1ccccc1)c1ccnn1C 1345839465 QDMZHMNWTRENNJ-KRWDZBQOSA-N 298.386 3.655 30 20 CHED C=C1CCC(C(=O)O[C@H](CC#N)c2ccco2)CC1 1350312181 SAVGZMAXFGRZHR-CQSZACIVSA-N 259.305 3.524 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#N)cc1F 1354853680 WHJNQNBDCJFXJP-LRDDRELGSA-N 288.366 3.738 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cc3ncccc3o2)s1 1358293734 NQZPWIOZPCPXCS-UHFFFAOYSA-N 297.339 3.576 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCC(C)(C)C[C@H]2C)n1 1458229142 HROWYSTVIRKHTQ-RISCZKNCSA-N 257.381 3.888 30 20 CHED Cc1nc(C)c(CSc2cccc(F)c2C#N)o1 1459105583 ZDBSLFRDCBTIPM-UHFFFAOYSA-N 262.309 3.595 30 20 CHED N#Cc1cc(=N[C@H](c2ccccc2)C2CCCC2)cc[nH]1 1472685589 VOZQUKBLIWAMNM-GOSISDBHSA-N 277.371 3.719 30 20 CHED C=C(CNCc1cc2ccccc2n1C)c1ccccc1 1473982502 QRAAWVGVNVRBQB-UHFFFAOYSA-N 276.383 3.981 30 20 CHED C[C@@H](NC(=O)c1cccc(CC#N)c1)C1CCCCCC1 1521585809 WKTFWHXLSXHNDX-CQSZACIVSA-N 284.403 3.841 30 20 CHED CC1(C)CCC(C)(CNC(=O)c2cccc(C#N)c2)CC1 1528731338 MAOTWIMZYUYKOM-UHFFFAOYSA-N 284.403 3.895 30 20 CHED CN(Cc1cccc(C#N)n1)[C@H]1CCC[C@@H]1C(C)(C)C 1560893517 PKUPHXTUWWZHFW-HOTGVXAUSA-N 271.408 3.600 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H](C(=O)O)C1 1589644911 FSWPHEDHIJUBND-LSDHHAIUSA-N 297.439 3.696 30 20 CHED O=C(O)c1coc(C(=O)/C=C/c2ccc(Cl)s2)c1 1602550080 OMICYMFOXWGDNV-HNQUOIGGSA-N 282.704 3.589 30 20 CHED C=CC[C@@H](Nc1ccc2nc(C(F)F)sc2c1)C(=O)O 1602845747 VYLNSVZVJNAQFV-SECBINFHSA-N 298.314 3.675 30 20 CHED COc1cc(C#N)ccc1CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1645364204 CKHHTFUCAORBEX-HHXXYDBFSA-N 298.430 3.871 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@@H](C2CCCC2)C1 1646293540 QQELUBBYWGHWGD-MRXNPFEDSA-N 284.403 3.579 30 20 CHED N#Cc1ncccc1SCc1coc(-c2cccs2)n1 1651983724 FEFXCOOVCJWLQF-UHFFFAOYSA-N 299.380 3.962 30 20 CHED N#Cc1cccc(Cn2cnc(-c3ccccc3)c2)c1F 1652205434 FUJXDDHCNVVKGZ-UHFFFAOYSA-N 277.302 3.609 30 20 CHED N#Cc1cccc(NCc2ccccc2OCC(F)F)c1 1662047947 BXOJPNWUXDUABL-UHFFFAOYSA-N 288.297 3.814 30 20 CHED C[C@@H]1CC[C@@H](C)C(=NNc2ccc(F)c(C(=O)O)c2)C1 1776063565 XHDXBUOMSJXROY-NXEZZACHSA-N 278.327 3.748 30 20 CHED O=C(/C=C\c1ccc(F)c(C(=O)O)c1)c1ccc(F)cc1 1776131557 URNZOIUXATUHOH-WAPJZHGLSA-N 288.249 3.559 30 20 CHED C=C(C)C[C@@H](NCc1cccc(-c2ccccc2)c1)C(=O)O 1776137891 MOGLLTDSSIKTAP-GOSISDBHSA-N 295.382 3.863 30 20 CHED C=CCc1ccccc1OCC(=O)N[C@@H](C)c1ccccc1 1284738 HMQSGTHINNACFW-HNNXBMFYSA-N 295.382 3.671 30 20 CHED Oc1ccccc1/C=N\Cc1ccc(F)c(Cl)c1 103010689 RIPQWOJIZPIPPU-MFOYZWKCSA-N 263.699 3.804 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(C)s2)cc1 107041680 GLZFCMVJHZHWBH-KTKRTIGZSA-N 258.342 3.961 30 20 CHED C=C(C)CN(CC)C(=O)c1oc2ccccc2c1COC 57158111 GOOOPZINJFFXIY-UHFFFAOYSA-N 287.359 3.617 30 20 CHED CCCCCCCOC(=O)CCc1cscn1 172184175 MEAVUCNSRNNAEK-UHFFFAOYSA-N 255.383 3.589 30 20 CHED CCOc1ccc(NC(=O)c2cccc(C#N)c2)c(C)c1 55804999 NVROMNJVGCPVJY-UHFFFAOYSA-N 280.327 3.518 30 20 CHED Cc1ccnc(Nc2ccc(C(C)(C)C#N)cc2)c1[N+](=O)[O-] 115515815 UNJPODHJBBJHIZ-UHFFFAOYSA-N 296.330 3.843 30 20 CHED N#Cc1cc(CN2CC[C@@H](c3ccccc3)C2)ccc1F 119302643 GFDZBQSDSUDSCS-MRXNPFEDSA-N 280.346 3.687 30 20 CHED CC(C)[C@H](c1ccccc1)N(C)C(=O)NCCCCC#N 171870677 YUKGEJFOHUQOQA-MRXNPFEDSA-N 287.407 3.719 30 20 CHED C[C@@H](NCCSCc1ccccc1C#N)c1ccncc1 179385640 PGMFLFCCKGOACE-CQSZACIVSA-N 297.427 3.537 30 20 CHED C=CC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 110366132 WHJNATDCDKPIEM-UHFFFAOYSA-N 298.411 3.848 30 20 CHED Cc1cc(C)cc(C2(C(=O)O[C@H]3CCC[C@H](C#N)C3)CC2)c1 1436648834 JFMSKEZTSZXLAI-RDJZCZTQSA-N 297.398 3.961 30 20 CHED CCC(CC)c1cc(C(=O)N(CC#N)c2ccccc2)on1 172810311 YAVLIRFLUCTMLU-UHFFFAOYSA-N 297.358 3.749 30 20 CHED Cc1ccc(CCNC(=O)Nc2cccc(C#N)c2C)cc1 178567409 KVTGTKYMUNNXBW-UHFFFAOYSA-N 293.370 3.539 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)C2(C#N)CCCCC2)C1 173669000 GJJGRZQPCGFVTR-INIZCTEOSA-N 276.424 3.889 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 426141487 SHXTXZRHVWHEKE-CMPLNLGQSA-N 291.782 3.912 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1C 62904332 YLRVIFBJTDCSSK-UHFFFAOYSA-N 290.366 3.695 30 20 CHED C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1cc(C)ccc1C 116971021 GTKRBFROWZJTGD-GJZGRUSLSA-N 274.408 3.970 30 20 CHED N#Cc1ccc(CN(C(=O)CC2=CCCCC2)C2CC2)cc1 170943495 KREOTPNUCXASOY-UHFFFAOYSA-N 294.398 3.940 30 20 CHED C=CCN(Cc1ccoc1C(=O)OC)CC1CCCCC1 303496754 XKNYULLYUMNMNJ-UHFFFAOYSA-N 291.391 3.635 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc[nH]c1 68447836 OTNXLHUWMJIBSU-LLVKDONJSA-N 285.372 3.519 30 20 CHED CCSCC[C@@H](C)N(C)c1cccc(F)c1C#N 301447401 RLOGWVSYNUDPQT-LLVKDONJSA-N 266.385 3.665 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)C2=CCCCC2)n1 124593858 XIAPJVQODXWDNL-LBPRGKRZSA-N 274.389 3.943 30 20 CHED CCn1c(-c2cc(C)ccc2OC)nc2cc(C#N)ccc21 122962065 HKMHJPJQQVYGJY-UHFFFAOYSA-N 291.354 3.912 30 20 CHED C[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1CC2)c1ccc(OCC#N)cc1 402823770 XNYHKRKFPOZBQW-FZCLSBEQSA-N 296.414 3.842 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1C[C@@H]2OCCC[C@H]21 302551755 KBCFVEPVNYJKRI-YUTCNCBUSA-N 296.292 3.556 30 20 CHED N#Cc1ccc(OCc2cccc(Cl)n2)c(Cl)c1 173686205 SCSLWLPRLHXDCZ-UHFFFAOYSA-N 279.126 3.839 30 20 CHED CCCCCCCN(C)Cc1nccn1C(F)F 173671678 WECXAIVHFHLFGS-UHFFFAOYSA-N 259.344 3.680 30 20 CHED C#CCOc1ccccc1NCc1ccc(C)s1 185173912 RJTKYWMHBBKNAG-UHFFFAOYSA-N 257.358 3.681 30 20 CHED C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 235554540 LHRSVQJLWNCDHR-QMMMGPOBSA-N 263.753 3.841 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2ccccc2C)CCC1 189007520 QEZAUTBAHHWTEG-HNNXBMFYSA-N 271.404 3.789 30 20 CHED CC[C@@H](CC#N)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 184085130 UVFVURNJXLJJDW-ZDUSSCGKSA-N 299.330 3.637 30 20 CHED CCC(CC)[C@H]1C[C@@H](NCc2cc(C#N)cs2)CCO1 180374861 KHBDKWNYQOTMBP-GOEBONIOSA-N 292.448 3.693 30 20 CHED COc1ccc([C@H](C)NCc2ccc(C#N)cc2)c(F)c1 37748457 NNDLOZLENKBUJN-LBPRGKRZSA-N 284.334 3.557 30 20 CHED N#Cc1ccc(CCC(=O)OCc2ccc(Cl)cc2)cc1 217044511 OEDCSZYNDZOOIR-UHFFFAOYSA-N 299.757 3.888 30 20 CHED CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C(C)(C)C 416317592 XBUXXDFGNRIUPG-JKSUJKDBSA-N 284.403 3.845 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)[C@H](C)C#N 410882825 KEXUADJYRFDRQH-UKRRQHHQSA-N 264.413 3.599 30 20 CHED CCCN(CC#N)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 507895345 AOSBVZRSAZUVPS-LLVKDONJSA-N 298.308 3.571 30 20 CHED CSCc1cccc(CNCc2ccc(C#N)s2)c1 189474070 UFCYCUYSDSJFPG-UHFFFAOYSA-N 288.441 3.773 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(F)c(C#N)c1 77500308 IFHGGTBPMBGBJR-LBPRGKRZSA-N 297.333 3.922 30 20 CHED Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H](C)C#N 122763659 CIQBACXGVBNPPF-ZFWWWQNUSA-N 270.401 3.842 30 20 CHED Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H](C)C#N 524246074 ZSROVYPSPNQPKK-CQSZACIVSA-N 294.354 3.672 30 20 CHED CC(C)CCOc1ccc(CN(CCC#N)CCC#N)cc1 180041676 PXKBNWYFGVJMTN-UHFFFAOYSA-N 299.418 3.741 30 20 CHED CC(C)(C#N)CCN1CCO[C@@H](c2ccc(Cl)s2)C1 375829586 GZAVIJGMSOEOFM-LLVKDONJSA-N 298.839 3.715 30 20 CHED N#CCCCC[S@@](=O)Cc1cc(Cl)sc1Cl 417219118 MFHDIKKPPVTZDJ-MRXNPFEDSA-N 296.244 3.997 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@H](C)c1ccc(F)cc1F 120843977 MRKMFQXXFQPECS-MEDUHNTESA-N 294.345 3.513 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(C)cc1O)c1ccccc1 187414122 IKIPCAFKTSNLDP-HNNXBMFYSA-N 281.355 3.999 30 20 CHED C=CCCCC(=O)N(C)Cc1ccc(Br)cc1 175082852 UZZFSPJRUBQPOK-UHFFFAOYSA-N 296.208 3.764 30 20 CHED C[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Br 501938604 NFMZHCDYODLZRV-YGRLFVJLSA-N 293.208 3.599 30 20 CHED C=C(C)CN(C)C(=O)NCC1(Cc2ccccc2)CCC1 181496038 NGKNFLNKZFGZGV-UHFFFAOYSA-N 286.419 3.617 30 20 CHED C[C@H]1CCC[C@@H](CON=C2CCC3(CC2)OCCO3)C1 180791312 ISMDVELKZTXJFE-UONOGXRCSA-N 281.396 3.502 30 20 CHED C=C(C)C[C@H](C)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 501643543 WLCMMUHOYGRLPG-ZVZYQTTQSA-N 271.404 3.899 30 20 CHED Cc1ccsc1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 416096328 DJALEQGUAHVXTJ-HNNXBMFYSA-N 296.395 3.736 30 20 CHED CC#CCCCC(=O)N(C)[C@H](C)c1ccc(C)cc1 185227649 QXBAMERCWOXZEP-OAHLLOKOSA-N 257.377 3.708 30 20 CHED C=CCCN(CCC)[C@H](C)CC(=O)Nc1ccccc1 502970839 QFRHCDJLVNQGQB-OAHLLOKOSA-N 274.408 3.692 30 20 CHED C[C@@H](c1nc2ccccc2s1)N(C)CC1(C#N)CC1 343319776 JNFIVLKYLJOGMS-NSHDSACASA-N 271.389 3.593 30 20 CHED Cc1csc(CCNc2cc(Cl)ccc2C#N)n1 63134341 FRFPBZGLSNWMQM-UHFFFAOYSA-N 277.780 3.631 30 20 CHED Cc1ncc(CN(C)[C@H](C)c2cccc(C#N)c2)s1 186291522 XCNIBKRQWHWCLH-LLVKDONJSA-N 271.389 3.516 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)C[C@@H](C)c1ccccc1 502469202 NQONORIMDHFCIN-PBHICJAKSA-N 272.392 3.625 30 20 CHED CCC(CC)(CNc1cccc(Cl)c1C#N)C(=O)O 137655928 MVEKGOIBEISTDE-UHFFFAOYSA-N 280.755 3.515 30 20 CHED CC[C@@H](C#N)OC(=O)C[C@@H](CC)c1ccc(C)cc1 84710089 XAXYCPDGXAILEG-HIFRSBDPSA-N 259.349 3.724 30 20 CHED CC[C@H](CC#N)N[C@H](C)Cc1ccc(Cl)cc1 136960473 NTYMPAGBNVOVOC-BXUZGUMPSA-N 250.773 3.553 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1 89269276 GZECSRQFGJNWJQ-HZPDHXFCSA-N 299.761 3.549 30 20 CHED C[C@H](N[C@@H](C1CCC1)C1CC1)c1ccc(OCC#N)cc1 324927649 MTXRJKRCSYUJSM-UGSOOPFHSA-N 284.403 3.818 30 20 CHED Cc1cc(N=C(O)[C@H]2CCC(=O)[C@@H](C)C2)nc(C(C)C)n1 328904292 JDQWDVNERPXOLV-JQWIXIFHSA-N 289.379 3.502 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)CC(C)C 506652577 PATUPIMNQDNOQX-INIZCTEOSA-N 288.435 3.861 30 20 CHED CCC(C)(C)C(=O)COc1ccc(C#N)c(Cl)c1 381412212 YWSSBBCIMREOFQ-UHFFFAOYSA-N 265.740 3.596 30 20 CHED N#CCC[C@H](NC(=O)c1ccoc1Cl)c1ccccc1 192345050 QUPORFWIDZJFGX-ZDUSSCGKSA-N 288.734 3.708 30 20 CHED N#CCCCSCc1ccccc1OC(F)F 190891674 AUMZVLGMUSBODU-UHFFFAOYSA-N 257.305 3.825 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)ccc1OC(F)F 425722283 ZOOZEBCIZAGWPT-UHFFFAOYSA-N 290.697 3.591 30 20 CHED CC[C@H](NCc1ccc(C#N)s1)c1ccc(C#N)cc1 421868581 CXHHHBZJXOEZQU-INIZCTEOSA-N 281.384 3.732 30 20 CHED Cc1sc(NC(=O)c2cccc3[nH]ccc23)c(C#N)c1C 40854111 ULHDIIIUUJDIHY-UHFFFAOYSA-N 295.367 3.970 30 20 CHED CN(CCCOc1cccc(Cl)c1)[C@H]1CC[C@@H](C#N)C1 429714038 FYJJWODGWQSZEZ-HIFRSBDPSA-N 292.810 3.733 30 20 CHED OC1=NCCCC[C@@H]1/N=C(/O)[C@H]1CCCc2sccc21 329248875 AMPDJTGCECCEOC-RYUDHWBXSA-N 292.404 3.634 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(OCC3CC3)nc2)no1 426445076 XWXXKCZTOAEDDA-UHFFFAOYSA-N 299.374 3.774 30 20 CHED N#Cc1cc(NC[C@H]2CCC[C@@H](N)C2)ccc1C(F)(F)F 420291147 VNDUOXOUXPGGBK-CMPLNLGQSA-N 297.324 3.506 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccccc1 196563174 GHQOZXMXRVWJFB-UHFFFAOYSA-N 265.356 3.558 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/C=C\c1ccccc1)CO2 195790045 XEDXCCIPPOQHAP-HAVFLYGMSA-N 292.334 3.910 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1cccc(C)c1Cl 334803149 BJIDUIBJUYMGFH-UHFFFAOYSA-N 299.761 3.814 30 20 CHED C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)c(F)c1 424287147 HEOAEOAVDMFDHZ-UVBJJODRSA-N 272.367 3.784 30 20 CHED CN(Cc1ccc(F)cc1C#N)[C@H]1CCc2ccccc2C1 512325155 UEJFDDAVUFNJCU-IBGZPJMESA-N 294.373 3.687 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC1(CC(C)C)CC1 426018980 HMABUDLLNRODGP-AWEZNQCLSA-N 264.413 3.563 30 20 CHED CC(C)Oc1cncc(/C(O)=N/C2(C)CCCC2)c1 331109303 HUJHKJWMWGXZAC-UHFFFAOYSA-N 262.353 3.506 30 20 CHED Cc1cscc1CN[C@@H](C)c1cccc(C#N)c1 94877289 RWNDLHQZKDPHNJ-LBPRGKRZSA-N 256.374 3.779 30 20 CHED COc1cc(SC)ccc1NCc1cccc(C#N)c1 193502776 ACIIOPWHRBOBMP-UHFFFAOYSA-N 284.384 3.901 30 20 CHED C=CC1CCN(Cc2ccc(-c3cnn(C)c3)s2)CC1 338945988 QXXIJZYPRXVPKY-UHFFFAOYSA-N 287.432 3.547 30 20 CHED O=C(/C=C\c1ccsc1)c1ccc2c(c1)CCO2 96939731 DEXGNOHILFGYTF-IWQZZHSRSA-N 256.326 3.579 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 424648347 LYYOGHNDAAQGQT-KCPJHIHWSA-N 290.794 3.847 30 20 CHED C[C@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CC[C@H]1C 235325163 WRAGAWWYIQQRRE-HRDYMLBCSA-N 269.801 3.905 30 20 CHED N#CCC1CCN(C(=O)c2ccc(F)c3ccccc23)CC1 335766658 AWTBNOZRLQJDFW-UHFFFAOYSA-N 296.345 3.745 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc(-c2ccco2)s1 426568583 RLSUTEFJFOWNHY-GFCCVEGCSA-N 274.389 3.944 30 20 CHED CC(F)(F)CCNc1ccc(Br)cc1C#N 294353776 ZKEAFLPQXKUMAE-UHFFFAOYSA-N 289.123 3.778 30 20 CHED C[C@H]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 331053523 JNXJIKLNQKIXOK-DJIMGWMZSA-N 284.403 3.769 30 20 CHED CCc1ccc(N/C(O)=N/CC[C@H]2CCCCO2)cc1C 330780454 NRPMURJCSQCOHZ-MRXNPFEDSA-N 290.407 3.843 30 20 CHED C=CC1CCN(C(=O)NCC[C@H]2CCCC[C@@H]2C)CC1 512111891 BQJSGONPAJPCIA-GOEBONIOSA-N 278.440 3.810 30 20 CHED CN(C(=O)Nc1cccc(CC#N)c1)C1CCCCC1 334738888 BCNJEPXFZRWXPW-UHFFFAOYSA-N 271.364 3.549 30 20 CHED C=CCOc1cccnc1-c1nc(C2CCCCC2)no1 91582895 LDBDCYLYJXKZSK-UHFFFAOYSA-N 285.347 3.744 30 20 CHED C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccsc1 235217227 CYUGMYRSLMHFDQ-ZCFIWIBFSA-N 269.782 3.903 30 20 CHED COCc1nc(/C(O)=N/[C@@H]2CCC(C)(C)C[C@@H]2C)cs1 331122654 PEMWNQPXSJZBSM-WDEREUQCSA-N 296.436 3.809 30 20 CHED CCN(Cc1ccc(C(F)(F)F)s1)C[C@@H](C)C#N 432744223 FYOKXDOUKXAXBW-VIFPVBQESA-N 276.327 3.748 30 20 CHED Cc1cc([C@H](C)NCC2(CC#N)CC2)cc(C)c1F 430749209 IMWWEUFMYIHCTB-ZDUSSCGKSA-N 260.356 3.787 30 20 CHED N#Cc1cccc(CCNCc2cnc(C3CCC3)s2)c1 341481980 JTTJQIWOVVYSEK-UHFFFAOYSA-N 297.427 3.615 30 20 CHED Cc1cc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccn1 527533598 IILJDUNBYFETIH-RTBURBONSA-N 291.398 3.662 30 20 CHED C=CCOc1cccnc1C(=O)Nc1ccc(Cl)cc1 341437579 ZPFFVQVYOHVTGZ-UHFFFAOYSA-N 288.734 3.552 30 20 CHED CCN(Cc1nc2cc(C)ccc2s1)C[C@H](C)C#N 528365652 LZOLESMCCBBTBR-GFCCVEGCSA-N 273.405 3.586 30 20 CHED CN(Cc1cc(F)cc(F)c1)c1ccc(F)cc1C#N 433800859 HBGBHOYDUONVHO-UHFFFAOYSA-N 276.261 3.612 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc2n[nH]cc2c1 343950432 AAQSSFQPTJAWHR-SECBINFHSA-N 297.749 3.656 30 20 CHED C[C@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCC#N)cc1 246345639 MLVCCZGKHFWGOK-OTRWWLKZSA-N 284.403 3.676 30 20 CHED N#Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 245688945 JFGMONVXSBGDNA-OKZBNKHCSA-N 296.414 3.781 30 20 CHED CC[C@@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 245700195 DAHNJTYGYPTJRL-HZPDHXFCSA-N 286.419 3.990 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)C1CC1 604402046 ODQXFCCNPXMEOC-AWEZNQCLSA-N 299.418 3.526 30 20 CHED C=CC[C@@H]1N(c2nnc(C3CCC3)n2C)CCCC1(C)C 349468614 YZFMACVSKYQOIZ-AWEZNQCLSA-N 288.439 3.654 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SC[C@H](C)C(F)(F)F 439028433 QMXHQRKRULTVHD-WDEREUQCSA-N 295.370 3.507 30 20 CHED CC(C)c1cccnc1NCc1ccc(C#N)cc1F 341987032 UUJJKSDUFLHQOA-UHFFFAOYSA-N 269.323 3.828 30 20 CHED Cc1csc(NC(=O)c2ccc3ncccc3c2)c1C#N 344883819 ALUGOYYOOWUKKH-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=CCC(CC=C)C(=O)N(Cc1cccnc1)C(C)C 343936445 CHMJOSIXYFOXPD-UHFFFAOYSA-N 272.392 3.587 30 20 CHED CC(C)CCNC(=O)c1cn(CCCC#N)c2ccccc12 436449982 HMWGLKAWEHIRGL-UHFFFAOYSA-N 297.402 3.721 30 20 CHED Oc1ccccc1C=Nc1ccc(OC(F)F)cc1 255381747 ODVAXBHPMIDEMS-UHFFFAOYSA-N 263.243 3.744 30 20 CHED Cc1nc2ccc(NC[C@@H](C)CCC#N)cc2s1 602519644 CMUQILAUXIMKFP-JTQLQIEISA-N 259.378 3.957 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cccc(Cl)c1 348150720 AHLRRFPRFYCYSU-UHFFFAOYSA-N 279.771 3.791 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H]1CCCc2sccc21 349930728 FSLHURKFQVIPHS-YPMHNXCESA-N 278.421 3.779 30 20 CHED CCN(CC)[C@H](CNC[C@@H](C)CCC#N)c1ccsc1 602510761 NISGGLSUFFYQJG-GOEBONIOSA-N 293.480 3.660 30 20 CHED C=CCCC(=O)Nc1cccc(NCC(F)(F)F)c1 344215971 IETHZCNKOOJSIR-UHFFFAOYSA-N 272.270 3.566 30 20 CHED N#CC1(CN[C@H](c2ccc(F)cc2)C2CCC2)CC1 343320383 DANSHOASTBYUCV-HNNXBMFYSA-N 258.340 3.560 30 20 CHED CCO[C@@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)C(C)C 348506725 GAOJOIPRWKOKNE-AWEZNQCLSA-N 294.782 3.601 30 20 CHED C=CCOc1cccc(/C=C\C(=O)c2cnn(C(C)C)c2)c1 255677015 QHXLXWAGDKOTBP-HJWRWDBZSA-N 296.370 3.925 30 20 CHED N#CCc1ccc(Cn2ccc(-c3cccs3)n2)cc1 342486878 YMCCJQWZLMAWGH-UHFFFAOYSA-N 279.368 3.726 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccccc2CC(F)(F)F)C1 442858235 RKXUGTSVDAKDOF-PWSUYJOCSA-N 268.282 3.896 30 20 CHED C[C@@H]1CCCc2ccccc2[C@H]1NCc1cccc(C#N)n1 602619523 WQFQACKXZYIKCL-KUHUBIRLSA-N 291.398 3.757 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)CC1CCCC1 602394002 KEXOJEABAVGIPX-UHFFFAOYSA-N 274.339 3.571 30 20 CHED Cc1cc(C#N)cc(NCc2scnc2C2CC2)c1 449761067 ULHFLLGOJVIRHR-UHFFFAOYSA-N 269.373 3.813 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(COC)c1 352719831 JFUSLKVXRVXPEY-UHFFFAOYSA-N 285.387 3.657 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cncc(F)c1 359216826 ADJYKPITESXCJD-NEPJUHHUSA-N 269.323 3.504 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCc3ccc(C)cc32)CC1 600878753 WGKSIYQQYRFEET-QGZVFWFLSA-N 284.403 3.590 30 20 CHED N#C[C@H]1CC[C@H](NCCc2ccc(Cl)cc2Cl)C1 442651414 QJZLNWOKZGAXGC-GWCFXTLKSA-N 283.202 3.818 30 20 CHED COc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 353312487 KMWCHLLYFOFZRF-OAHLLOKOSA-N 294.354 3.721 30 20 CHED C=CCC[C@@H](NC(=O)[C@H]1CCCSC1)c1ccccc1 355173921 YOBZNBQYEQAVDO-JKSUJKDBSA-N 289.444 3.953 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)N[C@H](C)c1ccc(C#N)cc1 536802257 OBWANQLUJRHQHV-XJKCOSOUSA-N 285.391 3.592 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCc1ccc(F)c(F)c1 530329178 WOUIOBMAISWKSM-LBPRGKRZSA-N 296.361 3.551 30 20 CHED C=CCCCCCOc1cc(OC)c(OC)c(OC)c1 447325968 MSQYAOBPRLOHGM-UHFFFAOYSA-N 280.364 3.838 30 20 CHED CN(CC#Cc1ccc(C(F)(F)F)cc1)CCC1CC1 441227269 PMCWBTAKFYNXLR-UHFFFAOYSA-N 281.321 3.789 30 20 CHED Cc1ncc(C/N=C(\N)Nc2cccc(C(C)C)c2)s1 261997615 OKTFLEDHGRFMRV-UHFFFAOYSA-N 288.420 3.502 30 20 CHED CCc1ccc([C@H](C)CC(=O)N2CCC[C@](C)(C#N)C2)cc1 612245332 OCMPTKAKEPCIDV-DNVCBOLYSA-N 298.430 3.895 30 20 CHED CCC1(CC)[C@H](NCc2cc(C#N)cs2)[C@H](C)[C@H]1OC 356319962 ZUIDAFSRCPLPQJ-NILFDRSVSA-N 292.448 3.549 30 20 CHED Cn1cnc2cc(N[C@H]3CCc4ccc(C#N)cc43)ccc21 353656882 KFFCMGRIYHXMQS-INIZCTEOSA-N 288.354 3.544 30 20 CHED CO[C@@H]1[C@H](C)[C@H](Nc2ccc3cc(C#N)ccc3n2)C1(C)C 539393357 PJIRTOAEHROVQC-ZTFRIQLXSA-N 295.386 3.578 30 20 CHED N#Cc1ccc(NCCCOCC2CC2)c(C(F)(F)F)c1 356594748 ACEXTLHQVWWTEU-UHFFFAOYSA-N 298.308 3.806 30 20 CHED N#CCC(=O)Nc1ccccc1Oc1ccc(Cl)cc1 355764556 WRQHXEJKLLYMPB-UHFFFAOYSA-N 286.718 3.984 30 20 CHED COCc1ccc(SCCCSCC#N)cc1 610480785 WUCVZDNDHJSEMI-UHFFFAOYSA-N 267.419 3.572 30 20 CHED C=CCC1(NCc2nc(C)cs2)CCCCC1 449577676 XJKFAVATHHYMGG-UHFFFAOYSA-N 250.411 3.820 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@@H]1CCCS1 266498789 YOWPPOBZPKALBJ-ZDUSSCGKSA-N 292.429 3.526 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NC(C)(C)CC(F)(F)F 614930059 GULKUDNHCJGAMU-UHFFFAOYSA-N 299.296 3.719 30 20 CHED CCOCc1ccc(CNC2CCC(C)(C#N)CC2)cc1 449078858 WHPCQXPUZPBFFU-UHFFFAOYSA-N 286.419 3.785 30 20 CHED C=CCCC(=O)Nc1ccc(N(C)C(=O)CCC=C)cc1 619324254 OIWLVYBXUPHTHN-UHFFFAOYSA-N 286.375 3.520 30 20 CHED COc1ccc(CN(C)Cc2ccc(F)c(C)c2)cc1C#N 444732403 KFWSJGSPFZCPKT-UHFFFAOYSA-N 298.361 3.646 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)Cc1ccccc1C)OCC 535136172 AKWIUHNNKDAMNP-QGZVFWFLSA-N 289.419 3.715 30 20 CHED COC(C)(C)C[C@@H](C)Nc1ncc(Cl)c(C)c1C#N 612085703 LXJVHDFXJZFHRO-SECBINFHSA-N 281.787 3.531 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 533915134 RVIXVFBFRFVWGV-MLGOLLRUSA-N 290.382 3.849 30 20 CHED C=C(CC)CSCC(=O)Nc1cc(Cl)ccc1OC 537993676 QBTAWUCJPHXDRD-UHFFFAOYSA-N 299.823 3.987 30 20 CHED CCc1nsc(N[C@H](CCC#N)c2ccccc2)n1 269721519 QFIKMAJXUKUYJE-GFCCVEGCSA-N 272.377 3.557 30 20 CHED C=CCCOCCCCC(=O)N1C[C@@H](C)CCC[C@@H]1C 539402241 DHGSSJCNQDQDSV-HOTGVXAUSA-N 281.440 3.787 30 20 CHED Cc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1O 619441231 BUORGWXKOUQIEP-HNNXBMFYSA-N 294.354 3.727 30 20 CHED CCC1(NC(=O)c2cccc(SCC#N)c2)CCCC1 452979840 VKFSWBPEAKBDTF-UHFFFAOYSA-N 288.416 3.755 30 20 CHED C=CCCN(C)C(=O)NCC1(c2ccc(C)cc2C)CC1 455160791 OXYXKENNYJRQSD-UHFFFAOYSA-N 286.419 3.553 30 20 CHED C=C(C)CCNC(=O)CCCOc1ccccc1Cl 452727739 ZYOTZXOOBUOTPE-UHFFFAOYSA-N 281.783 3.581 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(-c2ncco2)c1C 455528252 KYTDXVLJIXFTRX-UHFFFAOYSA-N 285.347 3.738 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC1(C)C 455090276 NWIUOFWLOFACBO-MRXNPFEDSA-N 299.418 3.526 30 20 CHED CC(C)N(Cc1cccc(C#N)c1F)C1CCCC1 538093422 AVZPSAICTPFHTI-UHFFFAOYSA-N 260.356 3.850 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(SC)ccc1C 539458327 IBBOEEQUCLSRIR-UHFFFAOYSA-N 276.405 3.923 30 20 CHED C=CCCN(C)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 613842769 VQWDZESEPPDJMD-IRXDYDNUSA-N 271.404 3.680 30 20 CHED Cc1ccccc1C1(C(=O)Nc2ccc(C#N)c(F)c2)CC1 362295741 FGMHZRTWTVKJGI-UHFFFAOYSA-N 294.329 3.676 30 20 CHED CC(C)(CCC#N)CN[C@@H]1C[C@H]1Cc1ccccc1 266175999 SXTOVGLOVAMEEN-HZPDHXFCSA-N 256.393 3.537 30 20 CHED Cc1cccc(-c2cnc(NC(=O)[C@]3(C#N)C[C@H]3C)s2)c1 451760161 NBGGWKKWUXBHKJ-BZNIZROVSA-N 297.383 3.607 30 20 CHED CCCCC[C@H]1CCCN1C(=O)NCC(C)(C)CC#N 459260115 PHRJEJNKSOIAAC-AWEZNQCLSA-N 279.428 3.681 30 20 CHED CC(=O)c1[nH]c(=N[C@@H](CCC#N)c2ccccc2)sc1C 450393388 QXLULBKKPYFLQQ-AWEZNQCLSA-N 299.399 3.533 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1CCCSCC#N 451964662 BSNVCEODNWRMNV-MRXNPFEDSA-N 292.423 3.918 30 20 CHED C=CCCCCCN[C@@H](C)c1ccc2c(c1)CC(=O)N2C 278319572 AAKIEWOONLNRMH-AWEZNQCLSA-N 286.419 3.603 30 20 CHED CC(C)(C)c1csc(C2CCN(CCCC#N)CC2)n1 360106990 CXQHSCXTFQPCSI-UHFFFAOYSA-N 291.464 3.924 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCC1CC(F)(F)C1 453090014 OFIGTZJUFAADSP-UHFFFAOYSA-N 280.318 3.803 30 20 CHED CC[C@@H](NCc1cccc(N(C)C)c1)c1ccc(C#N)cc1 278742329 NKHCNUXMDNAWLC-LJQANCHMSA-N 293.414 3.865 30 20 CHED COc1ccccc1[C@@H]1CCCN1c1cc(C#N)cc(C)n1 367730608 TVUTWMHBTJTYAB-INIZCTEOSA-N 293.370 3.612 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3occc3s2)C1 617784202 OUQGJUPDAWAVJD-NSHDSACASA-N 275.373 3.923 30 20 CHED C=CCN1CC[C@@H](SCc2cccc3ccccc23)C1=O 619585465 QWZUBJJFOYNOIZ-QGZVFWFLSA-N 297.423 3.860 30 20 CHED C=C(C)CCSc1nnc(-c2ccoc2C)o1 274774542 XDSPQUOSPQFIDW-UHFFFAOYSA-N 250.323 3.696 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1ccc(OC(F)F)cc1 272001085 HONLCVNUMJJPFK-LLVKDONJSA-N 282.334 3.878 30 20 CHED Cc1cc(C(=O)Nc2cccc(CC#N)c2)c(C)n1C1CC1 456726312 HTVZGENEFBWKAW-UHFFFAOYSA-N 293.370 3.758 30 20 CHED C=CC[C@H](C(=O)N1CC=C(C)CC1)c1ccccc1 275342358 OZLGGTGOBALOQX-INIZCTEOSA-N 255.361 3.525 30 20 CHED CC(C)C[C@@H]1CCCN1C(=O)Nc1cccc(CC#N)c1 455925241 XAVVMTUTSOXRIY-INIZCTEOSA-N 285.391 3.795 30 20 CHED C=C(C)CCNC(=O)NCCCCCOC1CCCCC1 454510826 OGUZHVILCBHHBP-UHFFFAOYSA-N 296.455 3.771 30 20 CHED COc1ccc(CNCC(C)(C)CC#N)c2ccccc12 459686657 GJAKCPFCHHDYBM-UHFFFAOYSA-N 282.387 3.878 30 20 CHED Cc1ccc(Cl)cc1C(=O)N[C@@](C)(C#N)C(C)(C)C 274385049 ZEFITFFTOJMFLI-HNNXBMFYSA-N 278.783 3.707 30 20 CHED C=CCN(C(=O)c1ccc(OC(C)(C)C)cc1)C1CC1 271477649 HWTKKYQFYWXIPZ-UHFFFAOYSA-N 273.376 3.655 30 20 CHED C=CC(C)(C)CNC(=O)c1cnn(C2CCCCC2)c1C 452773161 HQHMNJJHWSCTIA-UHFFFAOYSA-N 289.423 3.639 30 20 CHED C#CC[C@H](N[C@@H](C)c1cncc(C)c1)c1ccccc1 274417600 SYYAGKDGDIVRGT-YJBOKZPZSA-N 264.372 3.805 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1ccc(F)c(C#N)c1 548747488 ALZRPTIDIDPMME-UHFFFAOYSA-N 290.382 3.984 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1ccccn1 540572030 OOMLLXDIZKYEIR-HOCLYGCPSA-N 287.407 3.673 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(C)cc2OC)c1 547703039 WZYAJDLLZDJPQG-UHFFFAOYSA-N 297.354 3.821 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1c1nccc(C)c1C#N 543137570 VXLIHYHZFOXIDX-UKRRQHHQSA-N 257.381 3.667 30 20 CHED COC(C)(C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N 278279650 BQJMYSBVVRKNQY-UHFFFAOYSA-N 294.420 3.671 30 20 CHED CO[C@H](c1ccccc1Cl)[C@H](C)NCC1(C#N)CCC1 450698052 IZXRFDMMIHIDBJ-WFASDCNBSA-N 292.810 3.699 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CCC(C)(C)C1 541945404 BCZXMJDRGDXSGZ-CYBMUJFWSA-N 264.413 3.791 30 20 CHED COc1c(Cl)cc(Cl)cc1CN(C)C[C@H](C)C#N 271138921 UBSPJFFBUSYYGI-SECBINFHSA-N 287.190 3.593 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OCCC)cc1 455066855 XELUITLYWUVPFU-UHFFFAOYSA-N 262.353 3.563 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(OC(C)(C)C)cc1 278260614 DAYOOVHHYMVDJK-UHFFFAOYSA-N 274.364 3.742 30 20 CHED C=CCC[C@H](CO)N[C@H]1CCCc2c1[nH]c1ccc(C)cc21 453364116 QYMHCABQJOZULQ-KDOFPFPSSA-N 298.430 3.770 30 20 CHED CC(C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 540970012 YCNRMMHAGRZTSD-NWDGAFQWSA-N 297.185 3.515 30 20 CHED C[C@@H]1c2ccccc2CCN1Cc1ccc(F)c(C#N)c1 468271239 VIPBYLHADDPNSX-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCCC)C(C)C 621989539 MLHGXOMHUMWKKL-JYJNAYRXSA-N 281.440 3.546 30 20 CHED C=CCCCCNC(=O)Nc1ccc2occc2c1 626916236 PJTBSTVHKXJBFU-UHFFFAOYSA-N 258.321 3.911 30 20 CHED C[C@@H]1CCC[C@H](OCCCCCC(=O)NC(C)(C)C#N)C1 543757421 FDTXCZSEALQFJW-CABCVRRESA-N 294.439 3.560 30 20 CHED C=CCC[C@@H](NCCCn1nc(C)cc1C)c1ccco1 285653989 MJZJNQWBXNQKOA-MRXNPFEDSA-N 287.407 3.780 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)Sc1ccccc1 556382329 VBDKCFGVPQZANI-ZDUSSCGKSA-N 277.433 3.886 30 20 CHED Cc1cc(N2CCCCCC2)ccc1N[C@@H](C)C#N 284910258 BEPGWRCXYRDIIZ-AWEZNQCLSA-N 257.381 3.699 30 20 CHED CC#CCCCc1nc(-c2ccc(COCC)cc2)no1 289170699 QWPZOMZVNOBUQU-UHFFFAOYSA-N 284.359 3.619 30 20 CHED C=CCN(CC=C)c1nnc(-c2sccc2C)n1CC 460191317 HVNTZQIOCHNDMX-UHFFFAOYSA-N 288.420 3.513 30 20 CHED N#Cc1cc(N(C#N)Cc2cccc(Cl)c2)ccc1F 467756046 FCZKQJHBXYXILE-UHFFFAOYSA-N 285.709 3.838 30 20 CHED C=C(C)CNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 553736512 NYLWBEKNPSWKMT-ZACQAIPSSA-N 284.403 3.540 30 20 CHED N#Cc1ccc(CNCCC2=CCCCCC2)cc1 463700545 XTUQBNMYSSMNFP-UHFFFAOYSA-N 254.377 3.928 30 20 CHED Cc1cc(CNc2ccc([C@@H]3CCOC3)cc2)ccc1C#N 550291378 CMPLTCRLBCDGEA-GOSISDBHSA-N 292.382 3.983 30 20 CHED C=C[C@@H](C)NC(=O)NCc1ccc(C)cc1O[C@H](C)CC 464759565 WHVMCNANJYBJSE-ZIAGYGMSSA-N 290.407 3.546 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 464752238 CITWQDDIGONCFU-QWRGUYRKSA-N 289.404 3.573 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2c(C)nc3sccn23)no1 288950683 BYGBNZKTAHRURM-AWEZNQCLSA-N 288.376 3.608 30 20 CHED C=CCN1CCC(NC2CCC(=C3CCC3)CC2)CC1 638523429 BABQGMRKHBZBTG-UHFFFAOYSA-N 274.452 3.650 30 20 CHED C[C@H]1C[C@H](c2ccccc2)C[C@H](NCC2(C#N)CC2)C1 555709780 LMXJJXAVEHIMCD-BHYGNILZSA-N 268.404 3.852 30 20 CHED Cc1cc(NC[C@H](Nc2ccccc2)C(C)C)cc(C#N)n1 552912275 JPRUQFSICXFXJQ-SFHVURJKSA-N 294.402 3.810 30 20 CHED Cc1ccc(N(C)C(=O)[C@]2(C#N)CC23CCCC3)c(C)c1 298630910 UNISCHKHFCEQMF-GOSISDBHSA-N 282.387 3.740 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(Cl)c1C 292699537 GLDNAFMMYYYCPY-UHFFFAOYSA-N 277.755 3.582 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(Sc2ccccn2)cc1 479216908 NNTLBYLEKYXJRC-UHFFFAOYSA-N 298.411 3.881 30 20 CHED CC(C)(C)c1cnc(SCc2ccc(C#N)cn2)o1 555685287 WMYPKYGHSRFYDQ-UHFFFAOYSA-N 273.361 3.531 30 20 CHED CC(C)O[C@@H](CO/N=C1/CCCOCC1)c1ccccc1 292147999 VAHPJWYSENBYON-HMNTXPNISA-N 291.391 3.726 30 20 CHED CC(C)n1cc(/C=C/C(=O)c2cc3ccccc3o2)nn1 806569737 GTAKATRUGVNYRU-BQYQJAHWSA-N 281.315 3.501 30 20 CHED C[C@H](C#N)OCCN[C@H](C)c1cccc(Cl)c1Cl 801939737 RGMKZKIIRRUUFW-NXEZZACHSA-N 287.190 3.573 30 20 CHED C=CCCCCNC(=O)c1cccc(Oc2ccncc2)c1 471700734 CYDSBDQUGWIJFY-UHFFFAOYSA-N 296.370 3.960 30 20 CHED N#CC1(C(=O)NCc2cc3ccccc3s2)CCCCC1 299241574 BKMQDLKEWFDULL-UHFFFAOYSA-N 298.411 3.992 30 20 CHED Cc1ccc2sc(/C=C\c3cc(C#N)n(C)c3)nc2c1 478916472 CRGAUVGNLXESFN-XQRVVYSFSA-N 279.368 3.985 30 20 CHED C#C[C@H](NC1CCC(c2ccc(O)cc2)CC1)C(C)C 809685209 GGLUASOWDYVDQD-PVARCSIZSA-N 271.404 3.666 30 20 CHED N#C[C@@H]1CC[C@H](SCc2ccc([N+](=O)[O-])cc2)C1 295961600 JMYPAQRRJIOIHB-YPMHNXCESA-N 262.334 3.520 30 20 CHED C=C(C)CN1CCC(NC(=O)CCCCC(C)(C)C)CC1 561132883 YWCXOHDQBALZLP-UHFFFAOYSA-N 294.483 3.750 30 20 CHED C=CCCCC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 292000376 VHCBZCRYKRXSEY-GOSISDBHSA-N 299.414 3.553 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1OCC(C)C 299260434 DKIKTJDZJHVQQU-CQSZACIVSA-N 291.391 3.641 30 20 CHED C=CCC[C@H](NC(=O)NCC=C(C)C)c1ccccc1 479742027 HNKWJFXSVVTRBW-INIZCTEOSA-N 272.392 3.959 30 20 CHED FCCC[C@@H]1CCCC1=NNc1cnnc2ccccc12 800812302 BAJOSBYVBYCKKM-LBPRGKRZSA-N 286.354 3.948 30 20 CHED C=CCCC(=O)Nc1ccc2nc(CC)sc2c1 648548590 YUTTZTOUWHNLTM-UHFFFAOYSA-N 260.362 3.763 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C#N)c2ccccc2n1 568378418 FXZLEXSMZJWKRX-NEPJUHHUSA-N 281.359 3.727 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1cccc(C)c1 815311798 YTEZCZVCTMLHSN-NSHDSACASA-N 254.276 3.811 30 20 CHED C#C[C@@H](/N=C/c1cc(OC)ccc1O)c1ccc(Cl)cc1 811625730 UQSJFNNKOOJYJV-YDDPGSGASA-N 299.757 3.848 30 20 CHED COCCC1(C=NOC/C=C/Cl)CCCCC1 811672004 NQOHYOOAEUHPTM-JBOWNUKZSA-N 259.777 3.728 30 20 CHED C=CCC1(CNC[C@H](O)c2ccc(F)cc2)CCCC1 819355039 KCLKFBWTFUUKAE-INIZCTEOSA-N 277.383 3.585 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3ncccc3C#N)C2)cc1 486480010 PACQJVKFXPRICM-PBHICJAKSA-N 277.371 3.644 30 20 CHED COc1cc(C)nc(NN=C2CC[C@H](c3ccccc3)C2)n1 814862994 UNFZHGHBCXKVEH-AWEZNQCLSA-N 296.374 3.529 30 20 CHED Cc1cc(OC(C)C)ccc1NC[C@H](C#N)CCC#N 819417404 YSADWPQSRAFRFS-AWEZNQCLSA-N 271.364 3.638 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N1CCC(CCC#N)CC1 578535975 RRBPFMOLDHSCKZ-ZBFHGGJFSA-N 276.424 3.745 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(C3CC3)c2)cnn1C 817347331 YNJAUYUSVSHAKW-RMKNXTFCSA-N 266.344 3.502 30 20 CHED Cc1c(Cl)cccc1NC(=S)NN=C1CC2(CC2)C1 814721624 MPGAOYYCFYHINK-UHFFFAOYSA-N 293.823 3.865 30 20 CHED CC#CCCNC(=O)c1c(Cl)cccc1C(F)(F)F 712553158 LSRSXJAPGCMQIM-UHFFFAOYSA-N 289.684 3.502 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2cccc(F)c2C#N)cc1 811689179 WYVIWQYNBMRMOK-DHZHZOJOSA-N 294.329 3.659 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@@]1(C#N)CC1(C)C 813301104 YDKWADKQZMFPHR-XJKSGUPXSA-N 264.413 3.791 30 20 CHED COc1cccc(O)c1/C=N/Cc1cccc(Cl)c1 812390514 YNSVKTRIBLMODC-LICLKQGHSA-N 275.735 3.673 30 20 CHED C=C(C)CN(C)C(=O)NCC1(CC(C)C)CCCC1 487818796 OUWZNWGMYITTTK-UHFFFAOYSA-N 266.429 3.810 30 20 CHED COc1cc(F)ccc1NN=C1CCC[C@H]1C(C)(C)C#N 814915840 JUTILKWOADHSSL-GFCCVEGCSA-N 289.354 3.952 30 20 CHED C[C@H](NN=C1CC[C@H]1c1ccccc1)c1ccncc1 819816960 SYKLXEAYZDQEQH-BBRMVZONSA-N 265.360 3.666 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC(CC)(c2ccccc2)C1 822468458 GMIJUVDJLZJCEA-HNNXBMFYSA-N 271.404 3.779 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2c(Cl)cccc21 579317782 HKXUTDKNKMHEHQ-OAGGEKHMSA-N 277.795 3.651 30 20 CHED CC[C@H](NC(=O)N1CCC(CCC#N)CC1)[C@H]1CC1(C)C 570326870 JWWOOTSYPMRYMO-CABCVRRESA-N 291.439 3.536 30 20 CHED C#C[C@H](C)N(C)C(=O)c1occc1CSc1ccccc1 491775008 DEIROEPOVCZNOZ-ZDUSSCGKSA-N 299.395 3.666 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)C[C@@H]1C 574962739 POARYENSZNWUDV-ZFWWWQNUSA-N 296.418 3.674 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)/C=C/C1CCCC1 493045401 ILEMDCZKJBUWNX-PLSXKVAHSA-N 282.387 3.824 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2F)s1 821007357 HJJOIHADNJMBNI-ALCCZGGFSA-N 291.303 4.000 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N1CCC(CCC#N)CC1 575318508 USWLZAGBLUTZAL-JKSUJKDBSA-N 276.424 3.745 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCCC(=O)C(C)(C)C)c1 823084403 RVTIIPIHBRBJAG-UHFFFAOYSA-N 299.414 3.806 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCC1CC(F)(F)C1 589949088 DBLVYMLZXKDFAM-OAHLLOKOSA-N 276.330 3.571 30 20 CHED C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)CC1(F)F 491608205 VQLYNSMHULAWMF-VIFPVBQESA-N 270.710 3.693 30 20 CHED N#C[C@H]1CC[C@H](N[C@@H]2CCC[C@H]2c2ccccc2)C1 581298593 CPMFVHYYMQJMQN-QSPRXWTASA-N 254.377 3.605 30 20 CHED C=CCN(C(=O)CO[C@H]1CCCC[C@H]1C)c1ccccc1 497575899 XXHSBZNUNCXXIY-WBVHZDCISA-N 287.403 3.801 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc2c1ccn2C 581645876 MHOPUYOFKNRXKM-LBPRGKRZSA-N 271.364 3.655 30 20 CHED CON=Cc1ccc(C(=O)N[C@H](C)CCC(C)(C)C)cc1 736259762 WBCBIFWSORGPKJ-CYBMUJFWSA-N 290.407 3.612 30 20 CHED Cc1ccc(OC(F)F)c([C@@H](C)NCC(C)(C)C#N)c1 903100688 VQKNGHMMWBXZED-LLVKDONJSA-N 282.334 3.797 30 20 CHED COc1cc(C#N)ccc1COc1cc(F)c(F)cc1C 585728546 WGWDSDRFASFJJC-UHFFFAOYSA-N 289.281 3.733 30 20 CHED C[C@@H]1CCN(c2c(Cl)cccc2C#N)CC1(F)F 491587857 CJGLOOXGJFJPOW-SECBINFHSA-N 270.710 3.693 30 20 CHED C=CCCCNc1cccc(C(=O)OC)c1OC(C)C 490427077 AJLITTFAWJLKDP-UHFFFAOYSA-N 277.364 3.639 30 20 CHED COc1ccc(CCNN=C(C)c2ccc(C)cc2)cc1 737441163 XPCBIZHZUKUVQI-UHFFFAOYSA-N 282.387 3.560 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc3[nH]ccc23)C1 665927390 HHTUHMHCYIKKAZ-CYBMUJFWSA-N 283.375 3.988 30 20 CHED CCc1ccsc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839048871 PFBZEZNHHSXNSV-JQWIXIFHSA-N 263.362 3.550 30 20 CHED C#CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1 730981578 WKIDOWJNAFNEFA-UHFFFAOYSA-N 291.306 3.697 30 20 CHED COc1cc(CSCCCCC(C)(C)C#N)on1 902525914 MWZCHRKFSPBKIA-UHFFFAOYSA-N 268.382 3.636 30 20 CHED C#CCCCCc1nc(C[C@@]2(C)CC2(Cl)Cl)no1 834874180 PNNLDTBKXKKQSZ-LBPRGKRZSA-N 287.190 3.542 30 20 CHED C=C(C)[C@H](CC(=O)OC[C@@H]1CCCCC1(F)F)OCC 835638905 RFPSNOAWJXOPKC-STQMWFEESA-N 290.350 3.726 30 20 CHED Cc1cc(/C=C\C(=O)c2ccccc2C#N)cc(C)c1O 588618562 ZRJRPFOCBLBLBS-FPLPWBNLSA-N 277.323 3.777 30 20 CHED Cc1c(Cl)cnc(N[C@H]2c3ccccc3O[C@H]2C)c1C#N 583166583 YYHBURBQLJILRR-ZUZCIYMTSA-N 299.761 3.849 30 20 CHED Cc1cccc2c1C/C(=C/c1c(Cl)c(C)nn1C)C2=O 901472194 AYMOEGFKIOPICX-FLIBITNWSA-N 286.762 3.513 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)c(F)c1)CO2 731490227 VKECVVAFQKXWSV-QPEQYQDCSA-N 298.313 3.801 30 20 CHED CC(C)(CCC#N)CNC(=O)C[C@@H]1CCc2ccccc21 588177713 TYIYHFKMOQOVQU-HNNXBMFYSA-N 284.403 3.553 30 20 CHED CCCOc1ccc(/C=C2/CCn3ccnc3C2=O)cc1C 901534791 DYIWTSGQNAWDTN-QINSGFPZSA-N 296.370 3.650 30 20 CHED CC(C)Oc1cncc(-c2ccc(CC#N)s2)c1 906196528 QKLPJJQXEXVIGP-UHFFFAOYSA-N 258.346 3.663 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 837928393 VDKILCXZWSWKLA-CABCVRRESA-N 293.357 3.993 30 20 CHED C#CCC[C@H](C)OC(=O)c1ccc2nc(C)sc2c1 839039890 SXECWQZFSWDTBY-JTQLQIEISA-N 273.357 3.563 30 20 CHED C#Cc1ccc(-c2nc(-c3cccc4ccccc34)no2)cn1 731807255 WAJCSVQNIQMLOR-UHFFFAOYSA-N 297.317 3.933 30 20 CHED C=CCC1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCCC1 839058405 OYGBBRMNMJYLKI-KBPBESRZSA-N 261.365 3.748 30 20 CHED CCCCC(C)=NNc1nc2cc(F)c(F)cc2[nH]1 912817706 FILGCACZKNGCPN-UHFFFAOYSA-N 266.295 3.819 30 20 CHED C[C@](C#N)(NC(=O)C[C@@H]1C=CCCC1)C1CCCCC1 582881203 JYUFNPFQFXXVMU-RHSMWYFYSA-N 274.408 3.712 30 20 CHED Brc1cccc(NN=C2CC3(CCC3)C2)n1 835023623 MEGXHFJLAJXTGQ-UHFFFAOYSA-N 280.169 3.576 30 20 CHED C#CC[C@H](N[C@@H](CC)c1ccncc1)c1ccccc1 834692475 CBTOANHEYUQARY-ROUUACIJSA-N 264.372 3.887 30 20 CHED CCCCCCCCC(=O)N(C)C[C@@H]1CCCN(C)C1 734447843 VVGZDEJRWYCCMY-MRXNPFEDSA-N 282.472 3.537 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CCCC[C@H]1C(C)(C)C 916015742 IYKPEDKZZRCQPF-CHWSQXEVSA-N 268.470 3.632 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 594038288 MMWDYMHXJISOII-BMGDILEWSA-N 298.430 3.679 30 20 CHED CC(CCC(C)C)=NNC(=S)NCCc1cccs1 839412204 PABJWATYEXWVAY-UHFFFAOYSA-N 297.493 3.567 30 20 CHED CSCCCON=Cc1ccc(C(C)C)cc1 742350876 MNVNHPOCWVFGSN-UHFFFAOYSA-N 251.395 3.914 30 20 CHED Cc1cc(O)cc2c1C(=O)/C(=C\c1cc(F)ccc1F)O2 915988749 FOIOAIYWHNRVHG-MKMNVTDBSA-N 288.249 3.595 30 20 CHED CC(C)CC(CC(C)C)=NNc1cncc(Cl)n1 914560014 MVAXQCXGIZVNCU-UHFFFAOYSA-N 268.792 3.990 30 20 CHED Cc1cccc(C)c1[C@@H]1CCCN1C(=O)CCCC#N 597886605 ROJQMQUJWSZDMX-HNNXBMFYSA-N 270.376 3.661 30 20 CHED Cc1cc(C)cc(CC/N=C\c2ccccc2O)c1 740763899 SNSUEXBVNWPCRH-PDGQHHTCSA-N 253.345 3.671 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)c1c(F)cccc1F 917558799 YWNOKGKLXCVAMZ-DWOMLUCJSA-N 291.297 3.859 30 20 CHED CC(C)(C)NC(=S)NN=C1CCC(C(C)(C)C)CC1 916344466 UZNMGHITTBSTIL-UHFFFAOYSA-N 283.485 3.841 30 20 CHED Cc1cc(C#N)nc(N2CCC[C@@H]2c2c(C)cccc2C)n1 596317608 OIDAWBKQZVJTDZ-MRXNPFEDSA-N 292.386 3.615 30 20 CHED C[C@@H]1CN(c2nc(C#N)c(Cl)s2)[C@@H]2CCCC[C@@H]12 596190627 UVLMQJMFBGREOJ-WCABBAIRSA-N 281.812 3.683 30 20 CHED C=CCCC(=NNc1ncnc2sccc12)C1CC1 747755268 OCTMSKACBDKTGD-UHFFFAOYSA-N 272.377 3.835 30 20 CHED N#Cc1cccc(N2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1 599115905 AUYPTWLIYRUBDS-CYBMUJFWSA-N 299.324 3.615 30 20 CHED CCCNN=C(C)c1cnn(-c2cc(C)ccc2C)c1C 741760705 BVFHOTDWLGWENJ-UHFFFAOYSA-N 284.407 3.521 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCCC1(C)C 593990817 RWGBKHWKKJUVKP-YOEHRIQHSA-N 298.430 3.822 30 20 CHED COc1cccc(/C=N\C[C@H](C)Cc2cccs2)c1O 741465659 XDNTZUKRSAFFJW-ZSAINHDTSA-N 289.400 3.760 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2F)[C@@H]1c1cccnc1 596592387 MVZWWMWMMVZJFB-QGZVFWFLSA-N 295.361 3.675 30 20 CHED C=CCC(C)(C)CNC(=S)Nc1ccccc1F 840750914 ZQEWJRLFPCWHBO-UHFFFAOYSA-N 266.385 3.714 30 20 CHED COc1cccc(C(C)=NNc2cc(F)c(F)c(F)c2)c1 747642512 PWALCQAGLVBCOY-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)C=C1CCCC1 917605412 RSAXYFZEKHWMDJ-UHFFFAOYSA-N 272.344 3.830 30 20 CHED C[C@H](OC(=O)CCCc1ccc(F)cc1)C(C)(C)C#N 847667337 JKYYCHJLDOWLDG-LBPRGKRZSA-N 277.339 3.630 30 20 CHED COc1cccc(/C=N\Cc2c(F)cccc2Cl)c1O 745624774 NORXSRQHXJFMHD-LSCVHKIXSA-N 293.725 3.812 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]1C1CCC1)c1cccc(C#N)c1 845220891 YRUVFVFEYVUVCB-XFBWCDHKSA-N 269.344 3.599 30 20 CHED CC(C)COc1cccc(CN2CCC[C@@H](CC#N)C2)c1 597175864 FJPBCQDZPGBSOP-INIZCTEOSA-N 286.419 3.847 30 20 CHED Cc1cccc(C(C)(C)C/N=C/c2ccc(O)c(O)c2O)c1 745021526 QHZBNUAACZQCFU-VXLYETTFSA-N 299.370 3.509 30 20 CHED N#Cc1csc(/C=C2/Oc3ccc(Cl)cc3C2=O)c1 748440170 JCJOCSJKRZGLLX-WLRTZDKTSA-N 287.727 3.889 30 20 CHED CCC[C@H](C(=O)N(C)[C@@H](C)C#N)c1ccc(Cl)cc1 598842171 IINZDTYNHASJQH-FZMZJTMJSA-N 278.783 3.594 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc2c(c1)COC2 595058275 GDVYBPOPLRDYOQ-ZDUSSCGKSA-N 277.433 3.677 30 20 CHED Cc1ccc(C#N)nc1N1CC[C@H](c2ccccc2)[C@@H]1C 596154465 JSUBJDJBNVLDGZ-YOEHRIQHSA-N 277.371 3.644 30 20 CHED CS[C@@H](C)CCC(=O)OCCC1(C#N)CCCCC1 840408580 ZHRKQISTNKWAIR-ZDUSSCGKSA-N 283.437 3.925 30 20 CHED C#CCCCNC(=O)Nc1cc(Cl)ccc1SCC 743150222 PJOJXZFXRSQPKO-UHFFFAOYSA-N 296.823 3.987 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 748679175 HTTPNIDZRZUMJI-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED C=CCCCCn1ccc(-c2ccc(C#N)cc2)n1 842026848 CFJDVTDKJISLSR-UHFFFAOYSA-N 251.333 3.778 30 20 CHED CCC#C[C@H](C)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 680427803 OYXLJQTUDDHSJE-KBPBESRZSA-N 297.402 3.752 30 20 CHED C=CC(C)(C)COC(=O)CC[C@H]1CC1(Cl)Cl 851064240 PNDFTDVUFAKNCL-VIFPVBQESA-N 265.180 3.716 30 20 CHED C#CC[C@@H](NCc1cccc(OC)c1)c1ccccc1 756995220 DTQXYLXLEPIAAD-GOSISDBHSA-N 265.356 3.549 30 20 CHED C#CC(=O)N[C@H](CC(C)C)c1ccccc1OCC(C)C 754059575 LYICZLNLVLWREM-MRXNPFEDSA-N 287.403 3.558 30 20 CHED Brc1cncc(NN=C[C@H]2CC=CCC2)c1 758122477 LQLCIVLVACDPSZ-JTQLQIEISA-N 280.169 3.598 30 20 CHED Fc1c(Cl)cccc1NN=Cc1cccs1 921137922 UDCVBXDPQPIVTQ-UHFFFAOYSA-N 254.717 3.987 30 20 CHED C=C(Cl)CSCC(=O)N(C(C)C)C1CCCC1 853784026 VKSHUZQXYVWFGD-UHFFFAOYSA-N 275.845 3.652 30 20 CHED COc1cc(F)cc(NN=C(C)c2ccsc2)c1 759210584 SAFAGVFGXZTGBC-UHFFFAOYSA-N 264.325 3.732 30 20 CHED CCc1ccc(C(C)=NNc2ccc(C#N)cc2)o1 752163666 AXDFGUQIIUOCNS-UHFFFAOYSA-N 253.305 3.550 30 20 CHED CCSCc1ccc(NC(=O)C#CC(C)C)cc1 854849245 NCPZHBUJTISCIT-UHFFFAOYSA-N 261.390 3.538 30 20 CHED COCCON=C[C@H](C)Cc1ccc(C(C)(C)C)cc1 754704296 BKWXMZPYEHMVKR-CQSZACIVSA-N 277.408 3.812 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(C#N)[nH]1 751685160 YFYLKBJJRGFLPE-UHFFFAOYSA-N 275.396 3.709 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1cc(F)cc(F)c1O 757471770 DTJODPOBOCYFQI-PLNGDYQASA-N 296.219 3.845 30 20 CHED C=C(C)[C@H]1CC=C(COC(=O)c2ncccc2F)CC1 850872311 NIWWKAAGEQAGLL-ZDUSSCGKSA-N 275.323 3.680 30 20 CHED C=CC[C@H](NC(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccncc1 750642393 MDQDOHIIVZJZMJ-BBWFWOEESA-N 299.418 3.530 30 20 CHED O=C1/C(=C/c2cccnc2)CCc2ccc(Cl)cc21 761205230 IJKDCXOPQNSJPH-MDWZMJQESA-N 269.731 3.948 30 20 CHED C=C(Cl)COC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 766781333 OKHOALCOQJGSKU-RKDXNWHRSA-N 290.668 3.503 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 768167580 PNEINFDLOGIIFP-UHFFFAOYSA-N 287.407 3.836 30 20 CHED N#C[C@H](OC(=O)c1coc(C2CCC2)n1)C1CCCCC1 769627574 HYRQLPYRUYIJDS-AWEZNQCLSA-N 288.347 3.571 30 20 CHED C=CCOc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 766745683 MXMLXOLTGPOZKO-LBPRGKRZSA-N 277.364 3.837 30 20 CHED Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2Cl)c(C)o1 767907542 FCUFDXITQMECNF-UHFFFAOYSA-N 293.710 3.904 30 20 CHED C#CCN(C(=O)Nc1ccc(C)c(-c2ncco2)c1)C(C)C 930417171 PCJVRSAETIMAOS-UHFFFAOYSA-N 297.358 3.526 30 20 CHED C#CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1 763800212 IPLCYJXSCHOBAT-UHFFFAOYSA-N 289.378 3.520 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)cc1NC(C)=O 932132017 FZXSDRWFVGBNQW-NSHDSACASA-N 294.782 3.839 30 20 CHED C=CC[C@@H](N[C@H]1CCc2cc(OC)ccc21)c1ccncc1 866268486 WTIUPERUHYTWSY-MOPGFXCFSA-N 294.398 3.985 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 933903377 MXYCFFFVSRYLJP-LSDHHAIUSA-N 297.402 3.652 30 20 CHED CCCCCCCCNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 765290074 GJSULUIVDRALHD-HZPDHXFCSA-N 296.455 3.604 30 20 CHED C#C[C@H](OC(=O)c1ccc(-c2ccccc2F)o1)C1CC1 767521121 JDXPADSAWSDJDA-AWEZNQCLSA-N 284.286 3.654 30 20 CHED C=CCN(C(=O)c1ccc(SC(F)(F)F)o1)C1CC1 867201339 JAWZBRGQZVGMPV-UHFFFAOYSA-N 291.294 3.682 30 20 CHED Cc1cccc(-c2ccc([C@H]3CCCN3)cc2)c1C#N 863689887 IAHUZHMYDQZVPH-GOSISDBHSA-N 262.356 3.958 30 20 CHED COc1ccc(C=NOCC(F)(F)F)c2ccccc12 764846922 SKNPXEIZADCEDF-UHFFFAOYSA-N 283.249 3.761 30 20 CHED Cc1ccc(C2CC(=NOCC(F)(F)F)C2)cc1 764836787 ZMHXJBJKRSGEDN-UHFFFAOYSA-N 257.255 3.807 30 20 CHED CCCCOc1ccccc1C=NOCC(F)(F)F 767387543 JBIJIFUZQIAFOH-UHFFFAOYSA-N 275.270 3.778 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNCC(F)(F)C(F)(F)F)o1 863179320 GXGOEELNUQJZFH-IONNQARKSA-N 296.239 3.524 30 20 CHED C#CCN(CC)C(=O)c1ccccc1Sc1ccccc1 764209870 OGIKCZMCZXCGCE-UHFFFAOYSA-N 295.407 3.933 30 20 CHED CCCC[C@@H](CC)CC(=O)OCC1(C#N)CCC1 768095893 DTXLHSLUVDUJLD-CYBMUJFWSA-N 251.370 3.830 30 20 CHED CSc1ccc(C(C)=NNCc2ccc(C#N)cc2)cc1 769823539 SXLCLUFHIOGKAB-UHFFFAOYSA-N 295.411 3.794 30 20 CHED C[C@@H](Nc1cccc(CC#N)n1)c1ccc(F)cc1F 1116661356 AOHFRAZPMFOVEC-SNVBAGLBSA-N 273.286 3.599 30 20 CHED CC(=NNc1c(C)cccc1F)c1ccc2nc(O)[nH]c2c1 769841035 SFGCBEQSTFBYRW-UHFFFAOYSA-N 298.321 3.552 30 20 CHED Cc1c(C#N)cccc1NC(=S)N[C@H](C)c1ccccc1 769795723 QJPKTJDERJUGGC-CYBMUJFWSA-N 295.411 3.914 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)c(N2CCCC2)c1 874944738 RRZDOBLOGMQKOX-UHFFFAOYSA-N 284.403 3.727 30 20 CHED CC[C@@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 776356269 DQXQLSUWPASCAD-CQSZACIVSA-N 259.349 3.663 30 20 CHED C=CCc1ccc(OC(=O)/C=C/c2ccco2)c(OC)c1 875124483 UJQAZLNDXOWYKP-CSKARUKUSA-N 284.311 3.636 30 20 CHED FC(F)Oc1cccc(C=NNc2cc(Cl)ccn2)c1 777905903 BZJCKWBYQYQTPS-UHFFFAOYSA-N 297.692 3.782 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 779931372 UXAGIUOAJFWXDI-MRXNPFEDSA-N 287.378 3.725 30 20 CHED Cn1ccc(/C=C2/CCc3c(sc4ccccc34)C2=O)n1 773155019 ZTHTTZXCNYXFLI-KHPPLWFESA-N 294.379 3.847 30 20 CHED Cc1ccc(OC(=O)Cc2ccccc2CC#N)cc1C 776733161 LHRMQZZISPGSKY-UHFFFAOYSA-N 279.339 3.518 30 20 CHED C=CCC[C@H](C(=O)OCC1(C#N)CC1)c1ccccc1 778550753 DSHOGHAIKHAIMW-HNNXBMFYSA-N 269.344 3.583 30 20 CHED COc1cc(/C=C/C(=O)c2ccnc(Cl)c2)ccc1C 773143149 NFMBXOGYSVCZDL-AATRIKPKSA-N 287.746 3.948 30 20 CHED C=CCOC(=O)CC1(CSc2ccccc2)CC1 770613730 VZCYYEPZAUPBKC-UHFFFAOYSA-N 262.374 3.678 30 20 CHED C=CCCC(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 871145472 PBAAFERTBNMEJP-UHFFFAOYSA-N 281.359 3.859 30 20 CHED C[C@@H](C(=O)O[C@@H](CC#N)c1ccco1)c1ccsc1 1123462920 OLDRXAIHCKMCEE-MFKMUULPSA-N 275.329 3.643 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(C(F)F)cc1 885582255 HGWOFTJIERYXJS-UHFFFAOYSA-N 261.218 3.774 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)o1 15532660 GKQVWVYEGDBVBV-UHFFFAOYSA-N 274.707 3.674 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1nn(C)c2ccccc12 1123444176 OYTIHXRLJKJUFS-CYBMUJFWSA-N 298.390 3.536 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ccc2[nH]ncc2c1 783866821 KPTKIOUIULGWSB-NWDGAFQWSA-N 256.353 3.787 30 20 CHED Fc1cc(NN=C2CCSc3c(F)cccc32)ccn1 781126676 FIEVTUDVUJBTRJ-UHFFFAOYSA-N 291.326 3.672 30 20 CHED C=CCN1CCC(NC(=O)[C@](C)(CC)CCCCC)CC1 780614748 GZAHQBYUOKTUAD-GOSISDBHSA-N 294.483 3.750 30 20 CHED C=CCc1ccccc1OC(=O)[C@H]1CC(=O)c2ccccc21 789345409 QNIVOMXACIVMGN-INIZCTEOSA-N 292.334 3.691 30 20 CHED CN(CCC#N)c1ccc(CN2CCc3ccccc32)cc1 780762748 PQCWYSVTUFYBFX-UHFFFAOYSA-N 291.398 3.599 30 20 CHED C#CCOc1ccccc1NCc1cc2ccccc2[nH]1 788523983 RMSODQQNAOQBJX-UHFFFAOYSA-N 276.339 3.792 30 20 CHED C=CC(C)(C)CC(=O)O[C@H]1C[C@H](C)C(=O)C(C)(C)C1 893129993 ODASCQRVEWIAEY-RYUDHWBXSA-N 266.381 3.526 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)cc1OC 786645059 XMQYUVJAUGAOLY-CQSZACIVSA-N 267.756 3.889 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)[C@@H]1CCCO1 783778380 XLLLCKHEOUFBEG-LBPRGKRZSA-N 272.270 3.672 30 20 CHED C=C1CC(c2noc(CCCN(CCC)CCC)n2)C1 896885973 ZZAYWAKLTJQVNT-UHFFFAOYSA-N 277.412 3.558 30 20 CHED N#Cc1ccc(CSCC(=O)OCCC2CCC2)cc1 783445417 LSXFJOZNJBYWTK-UHFFFAOYSA-N 289.400 3.525 30 20 CHED CCc1onc(C)c1/C=C1\CCc2ccccc2C1=O 899336507 VSTMPIUQGQBFAY-JLHYYAGUSA-N 267.328 3.758 30 20 CHED N#Cc1cccc(C(=O)NCCC2CCC(F)(F)CC2)c1 890064847 ODJUUWRRMKKOFR-UHFFFAOYSA-N 292.329 3.504 30 20 CHED C=C1CC(c2noc(-c3cn(C)nc3-c3cccs3)n2)C1 896877470 LOATWJRZGWWHKL-UHFFFAOYSA-N 298.371 3.632 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC1 890141325 IWAATFLZJYKFCN-LBPRGKRZSA-N 289.341 3.922 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2[C@@H]2CCCOC2)c(Cl)c1 894340435 GNEJSLBOAYGRKR-UKRRQHHQSA-N 290.794 3.607 30 20 CHED Cc1nn(C(C)C)c(C)c1CNc1cc(F)cc(C#N)c1 895696520 MHUDPMFVLUPGLL-UHFFFAOYSA-N 286.354 3.704 30 20 CHED CC(=NN1CCC(C(C)(C)C)CC1)[C@@H]1CCCOC1 790182195 XUIJEHJMNSQOAG-CQSZACIVSA-N 266.429 3.547 30 20 CHED CC(C)CCN(Cc1cccc(C#N)n1)C1CCCC1 1179994335 ZIPLMMRKOABLBB-UHFFFAOYSA-N 271.408 3.744 30 20 CHED C(=NNc1nccc2sccc12)[C@@H]1CCCSC1 794895001 ASOHQHIZZQIHIO-JTQLQIEISA-N 277.418 3.837 30 20 CHED COc1cccc(C=NNc2cc(F)c(F)c(F)c2)c1F 799881777 SCRFGMOOCWCDAH-UHFFFAOYSA-N 298.239 3.698 30 20 CHED O=C(/C=C/c1ccc(C(F)F)cc1)c1cc(O)ccc1O 794941572 REHPBVKCUMFPDQ-XVNBXDOJSA-N 290.265 3.932 30 20 CHED Cc1cccnc1NN=C1CCCCc2ccccc21 790193522 GZQZCVABEYJCQU-UHFFFAOYSA-N 265.360 3.933 30 20 CHED C=C(Cl)CN(C)Cc1ccc(F)cc1Br 792454276 QUJXYSGXDVIDOV-UHFFFAOYSA-N 292.579 3.773 30 20 CHED C[C@@]1(C=NNCc2cccc3cccnc23)CCCS1 792972906 KVOJLZRDXMHYDJ-INIZCTEOSA-N 285.416 3.596 30 20 CHED C=CCCCCC[C@@H](C)Nc1ccc2c(c1)C(=O)NCC2 793541262 DIPALDHSJYLTDF-CQSZACIVSA-N 286.419 3.909 30 20 CHED C/C(=C/c1ccccc1)CN(C)c1cc(C)c(C#N)cn1 1163048145 SJWSGNVSHKDGHH-ZROIWOOFSA-N 277.371 3.801 30 20 CHED C=CCN(Cc1ccccc1N1CCCC1)C(C)C 1319689621 SWHJOBGATDPGDC-UHFFFAOYSA-N 258.409 3.683 30 20 CHED CCCCCCCOC(=O)c1ncoc1[C@@H]1CCCO1 1318631195 RNOHJLHJTFMWHB-LBPRGKRZSA-N 281.352 3.653 30 20 CHED Cc1ccc(CN(CCC#N)Cc2ccco2)cc1 78666235 BPUXQJMIWRRZFN-UHFFFAOYSA-N 254.333 3.504 30 20 CHED Cc1ccccc1N=C1NN=C(c2cccs2)CS1 1317712829 SJFZQHKUYYBRJS-UHFFFAOYSA-N 287.413 3.785 30 20 CHED C=C[C@@H](C)NC(=O)c1nc(-c2ccccc2)oc1C1CC1 1323771078 UQMLBHAIWKOAEV-LLVKDONJSA-N 282.343 3.523 30 20 CHED C=CCCN(Cc1ccccc1)C[C@@H](O)c1cccs1 88604265 HUMSCJJFVJXSDP-MRXNPFEDSA-N 287.428 3.860 30 20 CHED CCN(Cc1ccc(Cl)cc1Cl)C[C@H](C)C#N 42287629 QYVRCXODTRLEHE-SNVBAGLBSA-N 271.191 3.975 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)ccc1Br 281526938 XKAPRBZOSBMKRB-LLVKDONJSA-N 296.208 3.842 30 20 CHED C=CCC(CC=C)c1nnc(COc2ccc(C#N)cc2)o1 1322698254 FMPSNHYUAYODKM-UHFFFAOYSA-N 295.342 3.756 30 20 CHED CCN(CCOc1cc(Cl)cc(Cl)c1)[C@@H](C)C#N 1174852540 DAIPEKBMZXSVLE-JTQLQIEISA-N 287.190 3.606 30 20 CHED N#Cc1ccc(OCc2ccc(F)c(F)c2)cc1F 108954433 WTQFJABFVBFXET-UHFFFAOYSA-N 263.218 3.555 30 20 CHED N#Cc1cccc(CSc2ccc3c(c2)CCO3)c1 1189514271 WPPFMPNJJVITNU-UHFFFAOYSA-N 267.353 3.785 30 20 CHED CC[C@H]1Cc2ccccc2CN1C(=O)c1csc(C#N)c1 1330591346 CWNLGPGKTNQOJW-HNNXBMFYSA-N 296.395 3.597 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N[C@H](C#N)C1CCCC1 1331541785 XVDFZAMTUDSBKS-RHSMWYFYSA-N 284.403 3.687 30 20 CHED C=C1CCN(C(=O)Nc2ccn(C3CCCCC3)n2)CC1 1334709536 AASFNEZFDUDZAJ-UHFFFAOYSA-N 288.395 3.572 30 20 CHED C=C(C)CNc1ccccc1C(=O)NCCc1ccccc1 1334680779 JQXCJZYMBNODHP-UHFFFAOYSA-N 294.398 3.647 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C[C@H](C)C1CCCCC1 1346097108 XZIDUELBZCTFKC-DZGCQCFKSA-N 287.407 3.686 30 20 CHED N#Cc1ccnc(/C=C\c2ccc(Br)cc2)c1 1344337036 JVLMBIXJNYUXCO-UTCJRWHESA-N 285.144 3.886 30 20 CHED CC(C)Oc1cccnc1N[C@@H](C)CC(C)(C)C#N 1351934193 GBLYNPQDCINWCJ-LBPRGKRZSA-N 261.369 3.609 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc(F)c3ccccc23)C1 1516784089 ZBHBLWBHBYXWEJ-RYUDHWBXSA-N 283.302 3.828 30 20 CHED C=C(CC)C(=O)Nc1cc2sc(C)nc2cc1OC 1520941046 LLATXFLUBSGGFH-UHFFFAOYSA-N 276.361 3.518 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)C1(C3CCCCC3)CC1)CC2 1521375984 CQRUWPSGBHFLFA-UHFFFAOYSA-N 294.398 3.808 30 20 CHED CCCc1ncc(C(=O)O[C@@H](CC#N)c2ccco2)s1 1520425491 VJKBTJJPLSDDAC-NSHDSACASA-N 290.344 3.500 30 20 CHED N#Cc1c(F)cccc1Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 1601082849 RZMOEAYKUBFPJN-QWHCGFSZSA-N 296.301 3.629 30 20 CHED CCc1ccccc1CCOc1ccccc1C#N 1613317493 ILMJSBXSSYJKKA-UHFFFAOYSA-N 251.329 3.742 30 20 CHED CC(C)[C@@H]1CCc2ccccc2[C@H]1Nc1ccnc(C#N)n1 1472752418 KCCPPQYSKWFCIG-KSSFIOAISA-N 292.386 3.720 30 20 CHED C=C(Cl)CN1CCN(c2ccc(CC)c(Cl)c2)CC1 1645614976 XZTOPVRODZBHAL-UHFFFAOYSA-N 299.245 3.777 30 20 CHED Cc1cc(C)c(C(=O)O[C@H]2CCC[C@H](C#N)C2)s1 1583565799 LRTYMKFGFARXHX-RYUDHWBXSA-N 263.362 3.604 30 20 CHED C=CC[C@H](C(=O)O)N1CCc2c(-c3ccccc3)cccc21 1588731581 KRRMCEGTQGRPIB-GOSISDBHSA-N 293.366 3.745 30 20 CHED N#Cc1ccccc1OCCN1CCCC2(CCCCC2)C1 1652460356 WYYDWZSBFWEOGN-UHFFFAOYSA-N 298.430 3.983 30 20 CHED C=CCc1ccccc1CNc1cccc(CC(=O)O)c1 1776188699 XYJBIZQGHMMHMF-UHFFFAOYSA-N 281.355 3.654 30 20 CHED CC(C)C[C@H]1CCCC(=NNc2ccc(C(=O)O)nc2)C1 1776070995 VVYQUJSUKNYQFZ-GFCCVEGCSA-N 289.379 3.784 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1cccc(C#N)c1 14179699 SSYPINJVYRVLLC-BQYQJAHWSA-N 277.323 3.771 30 20 CHED N#CCC[C@@H](C#N)CN1CC2(CCCC2)c2c(F)cccc21 162771092 ICTJYUIQFZSWRJ-AWEZNQCLSA-N 297.377 3.901 30 20 CHED N#Cc1ccc(CN2CCc3ccccc3CC2)c(Cl)c1 162913398 IFQHOUFDARKKJN-UHFFFAOYSA-N 296.801 3.812 30 20 CHED COC(=O)Nc1ccc(OCCCC(C)(C)C#N)cc1 158123028 OYFMXLQHSWVRMR-UHFFFAOYSA-N 276.336 3.574 30 20 CHED CC(C)c1ccc(N(C)CCCSCC#N)cc1 158206473 QGMOBIPRHAQTPW-UHFFFAOYSA-N 262.422 3.893 30 20 CHED CC[C@H](O)COc1ccc(Oc2ccc(C#N)cc2)cc1 157041451 DXKHRHMSFVLOSP-AWEZNQCLSA-N 283.327 3.500 30 20 CHED CCCCCCCCC(=O)NCc1ncccc1F 156626738 XCIHYSMCHRJCSM-UHFFFAOYSA-N 266.360 3.588 30 20 CHED C=CCC[C@@H](N[C@H](C)CCn1cccn1)c1ccccc1 159125505 VIDQWDQEEKCXNO-SJLPKXTDSA-N 283.419 3.959 30 20 CHED C=CCC[C@H](C)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 806173838 DYLDVWZXPNQKSW-SMDDNHRTSA-N 287.325 3.683 30 20 CHED C=CCN(CCC(=O)Nc1ccccc1Cl)C(C)C 917069787 VTFHAVONCCMWOM-UHFFFAOYSA-N 280.799 3.565 30 20 CHED C=CC[C@H](C)NC(=O)N(CCC)Cc1ccccc1 116971831 RIPGIGRPQPBCFY-AWEZNQCLSA-N 260.381 3.573 30 20 CHED N#Cc1ccc(NC[C@@H]2CCC3(CCCCC3)O2)cc1 228036515 NELPKNIDELGGKK-INIZCTEOSA-N 270.376 3.852 30 20 CHED CC(C)CCN(CCC(C)C)C(=O)C1(C#N)CCC1 229872560 UTMNGVLDAIIHMI-UHFFFAOYSA-N 264.413 3.601 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2cccc(Cl)c2)n1 25370953 KMMAFTKJMGFGMU-UHFFFAOYSA-N 285.778 3.878 30 20 CHED C[C@@H]1CCCC[C@@H]1CNCc1cc(C#N)ccc1F 42862852 CPRCWWDNSHDKFL-TZMCWYRMSA-N 260.356 3.613 30 20 CHED CC(C)(C#N)CN[C@H]1CCCC[C@H]1c1ccccc1 168931416 NENMSPDKJXZCTA-HOTGVXAUSA-N 256.393 3.852 30 20 CHED C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C 164483195 OVJZYZQCBDAZQL-AOOOYVTPSA-N 268.282 3.669 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C)ccc2F)c1 308175074 ZRJBQGYHWAFQNX-UHFFFAOYSA-N 268.291 3.567 30 20 CHED C=CCCCOc1c(Br)cccc1OC 447366283 JZRKYRGKPYXAOW-UHFFFAOYSA-N 271.154 3.803 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1cccc(Cl)c1Cl 556776655 RAQIZIZKPJWSJF-CYBMUJFWSA-N 285.174 3.549 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ccc(OCC#N)cc1 709690826 AWFOJTSJVBSZIK-LBPRGKRZSA-N 272.373 3.694 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1CCCC1(F)F 381491086 HKIFFAYZBJHHKU-SNVBAGLBSA-N 254.255 3.545 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(CCCC#N)C2CC2)o1 51183300 OUZUHVSCGKMECP-SWLSCSKDSA-N 258.365 3.671 30 20 CHED C=CCCC[C@H](C)NC(=O)c1[nH]c(C)c(C(C)=O)c1CC 179789801 SIIMVSXOUNJRSZ-NSHDSACASA-N 290.407 3.563 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)O[C@H](C)CC#N)oc12 113691758 DHNDWGGQIYCXJW-LLVKDONJSA-N 271.316 3.817 30 20 CHED CC[C@H](C)Oc1cccc(NC(=O)c2ccc(C#N)cc2)c1 57069500 IYECWZABZGJPEK-ZDUSSCGKSA-N 294.354 3.988 30 20 CHED CC(C)N(C)c1cccc(Nc2ccc(C#N)cn2)c1 68764002 DJWDWXXDTPCGNC-UHFFFAOYSA-N 266.348 3.541 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 115971237 KMMXPDYLGCYSRD-STQMWFEESA-N 298.292 3.579 30 20 CHED C#CCCCN[C@H](C)c1ccc(C(F)(F)F)cc1 174273468 ZHNQMNJPWYPLLQ-LLVKDONJSA-N 255.283 3.769 30 20 CHED Cc1nc(N2CCC(C)(C)CC2)c(Cl)cc1C#N 310765542 NQPZXSRESQEICA-UHFFFAOYSA-N 263.772 3.542 30 20 CHED CN(Cc1ccc(F)c(F)c1)Cc1ccc(F)cc1C#N 103139630 HEJWBBHNOLXTIL-UHFFFAOYSA-N 290.288 3.608 30 20 CHED N#CC1(C(=O)Nc2cccc(N3CCCC3)c2)CCCCC1 57396010 XHXSDOWAOMKIGH-UHFFFAOYSA-N 297.402 3.699 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(C)c(Oc2ccncc2)c1 116858839 HSJLQOICCZTQTK-CQSZACIVSA-N 296.370 3.877 30 20 CHED CCC(CC)CN(CCC#N)CCCC(C)(C)C#N 174876242 ZQFFKQWIXBQYRN-UHFFFAOYSA-N 263.429 3.968 30 20 CHED C=CCCC(=O)N1CCc2cc(-c3ccccc3)oc2C1 177133159 SOVXYSRMNFCDFD-UHFFFAOYSA-N 281.355 3.798 30 20 CHED C=CCN(CC=C)C(=O)Nc1cc(F)ccc1Cl 171226021 RFFIKLQSKJCKJS-UHFFFAOYSA-N 268.719 3.685 30 20 CHED CCOCc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 301437295 KWWTVGAKOWVMPP-UHFFFAOYSA-N 297.314 3.747 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)CCC[C@H]1C 178535255 CQYRGZOGSPBMKY-QWHCGFSZSA-N 285.391 3.909 30 20 CHED C[C@H](NC(=O)CC1CCCCC1)c1ccc(C#N)cc1 26112964 MBXUOJZWXMXPEX-ZDUSSCGKSA-N 270.376 3.706 30 20 CHED N#Cc1cccc(SCC(=O)c2ccccc2)c1 177098254 BRFXENJRQPXLOI-UHFFFAOYSA-N 253.326 3.533 30 20 CHED CCC(CC)N(CC(C)C)C(=O)NCCCCC#N 178658428 ZMCYZKQXLBXPIH-UHFFFAOYSA-N 267.417 3.536 30 20 CHED N#CC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 172919695 LRTLJXHSGYPIPM-UHFFFAOYSA-N 296.414 3.723 30 20 CHED CN(C[C@@H]1CCCCO1)c1cc(C#N)ccc1C(F)(F)F 301717739 LADKGOKSBZFHLZ-LBPRGKRZSA-N 298.308 3.582 30 20 CHED C=CCCC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 60364945 DCFVWRYADNWDSA-UHFFFAOYSA-N 286.297 3.676 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(C#N)cs1 84113837 ZWSYPRKEWIQHCX-HNNXBMFYSA-N 298.411 3.713 30 20 CHED N#Cc1csc(CNCc2coc(-c3ccccc3)n2)c1 177705802 FFQRJYJROFQBTH-UHFFFAOYSA-N 295.367 3.565 30 20 CHED C=CCOc1cccc(CN(CC#N)C2CCCC2)c1 129181987 MGOFNVCIIFVSFD-UHFFFAOYSA-N 270.376 3.520 30 20 CHED C=CCn1c(SCCCF)nnc1-c1ccc(C)cc1 122477652 PMNJTBOEIKEYLM-UHFFFAOYSA-N 291.395 3.891 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1ccc(F)c(F)c1 189653194 OTPFHINWSVHYPL-BZNIZROVSA-N 298.329 3.798 30 20 CHED COc1cc(C)ccc1[C@@H](C)NCc1cccc(C#N)c1 37748926 FNKQMPLANCYONH-CQSZACIVSA-N 280.371 3.726 30 20 CHED CO[C@@H](CNc1c(Cl)cccc1C#N)C(C)(C)C 301440430 VCOZQLYRZKOCIF-LBPRGKRZSA-N 266.772 3.685 30 20 CHED CC(C)Oc1ccc(C#N)cc1NCCC(F)(F)F 77245504 VYWYBIQGJDBZFD-UHFFFAOYSA-N 272.270 3.710 30 20 CHED Cc1ccc2c(CNc3cccc(C#N)c3)cc(=O)oc2c1 72604494 OHWDAGZFGZIJIU-UHFFFAOYSA-N 290.322 3.585 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(F)c(C#N)c2)C1 77500101 SSZKEJXWMOIIOY-BXUZGUMPSA-N 289.354 3.740 30 20 CHED C=C(C)Cn1cnc2cc(-c3ccccc3)sc2c1=O 121392131 XISQGQQJVMRXSJ-UHFFFAOYSA-N 282.368 3.701 30 20 CHED Cc1ccc(Cl)c(NC(=O)N(CCC#N)CC2CC2)c1 120736813 SXUBHXGJXBXVHH-UHFFFAOYSA-N 291.782 3.806 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1ccc2ccccc2c1 120662192 AJPNGDPMQSKJGM-KRWDZBQOSA-N 266.344 3.508 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](C)c1ccc(C2CC2)cc1 416077227 IZFJSFQIPXJLFD-LLVKDONJSA-N 294.354 3.828 30 20 CHED N#CCc1cccc(NCc2cc3ccccc3nc2O)c1 313455218 WWWXCXMYBJQBST-UHFFFAOYSA-N 289.338 3.619 30 20 CHED C=CCC[C@H](C(=O)NC1CCSCC1)c1ccccc1 187348696 PJMJRJOSWXUZGW-INIZCTEOSA-N 289.444 3.748 30 20 CHED CC[C@@H](Cc1ccccc1)N(CC)CC1(C#N)CC1 501540495 PTKBIEPDJVHDRI-INIZCTEOSA-N 256.393 3.633 30 20 CHED C=C[C@H](CC(=O)NCc1ccc(C)cc1)c1ccccc1 122463977 UDAOJPGEDIPOKL-QGZVFWFLSA-N 279.383 3.971 30 20 CHED CCOC(=O)c1oc2ccccc2c1CSCCC#N 413010764 HPCOMCXTCULBJO-UHFFFAOYSA-N 289.356 3.756 30 20 CHED C=CCC[C@H](N[C@H]1COC(C)(C)C1)c1ccccc1 417952622 ORSBEZZJZWMPSZ-CVEARBPZSA-N 259.393 3.851 30 20 CHED CCS[C@H]1CCCC[C@@H]1NCCCC(C)(C)C#N 189494113 UJUJOCBTTUMOPW-KBPBESRZSA-N 268.470 3.970 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)c1cc2ccccc2o1 410824931 FCXDOTCDECVTND-GXTWGEPZSA-N 284.359 3.687 30 20 CHED C=CC(C)(C)C(=O)N(C)[C@H](CC)c1ccccc1OC 410860737 BRPQLBHUGDUUJS-CQSZACIVSA-N 275.392 3.817 30 20 CHED COc1ccc2c(c1)OCC[C@H]2Nc1cccc(F)c1C#N 78380456 ZYWUHWHMTNXPTB-MRXNPFEDSA-N 298.317 3.642 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc(C(C)(C)O)cc1 186612164 AQHTUPAWVFJSMS-KBPBESRZSA-N 261.409 3.604 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cc(C)ccc1Cl 189430195 LEFDXIMEPBDIEQ-OAHLLOKOSA-N 281.783 3.816 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCc1cccc2ccccc12 188120755 ZOTSFQDQRZSXRF-IBGZPJMESA-N 297.398 3.685 30 20 CHED CCCCCCCCC(=O)NCc1cncc(C)c1 124936131 ZCDLZDRFACJPFM-UHFFFAOYSA-N 262.397 3.757 30 20 CHED N#Cc1cc(CN2CCS[C@@H]3CCCC[C@H]32)ccc1F 246387111 AQQKFPBBQZURSR-HZPDHXFCSA-N 290.407 3.557 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1cc(C)ccc1C 505227831 YIRQULDBFYNBGM-OAHLLOKOSA-N 289.444 3.985 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 503355969 LDGVMXZBLVPWIM-VXGBXAGGSA-N 270.376 3.878 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416098821 KNWVPEOVRKCELV-SCTDSRPQSA-N 296.414 3.734 30 20 CHED C=CCCCC(=O)Nc1ccc2ccn(CCOC)c2c1 180755394 KVSWIYQCZATHHE-UHFFFAOYSA-N 286.375 3.583 30 20 CHED N#CCc1cccc(NCc2c[nH]nc2-c2cccs2)c1 313486218 YJKDGUPGRKJSHJ-UHFFFAOYSA-N 294.383 3.816 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N1CC2(CCCC2)c2cccc(F)c21 410768027 OPSPBNSIXIVNHF-SGTLLEGYSA-N 298.361 3.534 30 20 CHED CC(C)[C@H](C)C(=O)Nc1cccc(C#N)c1Br 416075524 FQTSSFQYVQXMBI-VIFPVBQESA-N 295.180 3.551 30 20 CHED N#CC1(CNCc2cnc(-c3ccsc3)s2)CCC1 418142295 MRODEMTYLKKPSR-UHFFFAOYSA-N 289.429 3.655 30 20 CHED CC(C)(C#N)c1ccccc1CNc1ccc(C#N)cc1 131411314 LJPCMJUNZCBWSH-UHFFFAOYSA-N 275.355 3.972 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2nc3ccccc3s2)CCC1=O 328910184 NGQVSKCLGUVBCP-ZJUUUORDSA-N 288.372 3.890 30 20 CHED C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1ncc(C)o1 411179588 PBYLYEYLSUGYOV-CQSZACIVSA-N 286.375 3.741 30 20 CHED CCC1(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 505832826 MXSHWYXFTSSDBX-OAHLLOKOSA-N 284.403 3.855 30 20 CHED N#Cc1cnc(/C(O)=N/[C@H]2CC23CCCCC3)c(Cl)c1 329123664 RWOBVZNODIVUGE-LBPRGKRZSA-N 289.766 3.634 30 20 CHED N#CCC1(COc2ccc([N+](=O)[O-])c3ccccc23)CC1 88272190 DTYFDHXRIZZKBU-UHFFFAOYSA-N 282.299 3.821 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC(C)(C)C1 425120513 ATXYHPZKPFADMI-CZUORRHYSA-N 284.403 3.904 30 20 CHED COc1ccc2c(c1NCc1cc(C#N)ccc1F)CCC2 190455584 RLKQGKPMYRBFGD-UHFFFAOYSA-N 296.345 3.807 30 20 CHED O/C(=N/CC1CCC(F)(F)CC1)c1ncoc1C1CC1 329169069 JHGSTBADTRMYQL-UHFFFAOYSA-N 284.306 3.682 30 20 CHED C[C@H](C#N)CSc1ccccc1NCCCCCCO 134655286 AGYNWNVKEUXGHC-CQSZACIVSA-N 292.448 3.903 30 20 CHED CC(C)c1scnc1N/C(O)=N/C[C@@H]1CCCCS1 329495290 DNFXMKGBVAVIKU-JTQLQIEISA-N 299.465 3.878 30 20 CHED CC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1OC(F)F 191164396 AYCLLTLMVIBWDW-SECBINFHSA-N 282.290 3.534 30 20 CHED Cc1cccc(C[S@](=O)CCCC(C)(C)C#N)c1 87611154 KQMJXJVMVMOPNP-SFHVURJKSA-N 263.406 3.574 30 20 CHED C[C@H]1CCC[C@@H](CCN2CCC(F)(C#N)CC2)C1 510952443 ZLMUIMKYUDLTIZ-KBPBESRZSA-N 252.377 3.530 30 20 CHED C=CCN(CCOC)C(=O)[C@@H](C)c1ccc2ccccc2c1 191981312 PPYYBIJMNDZZEG-HNNXBMFYSA-N 297.398 3.604 30 20 CHED N#Cc1c(Cl)cccc1NCCc1ccccc1 48935158 RKVGNMVGBVSFPD-UHFFFAOYSA-N 256.736 3.866 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccc(C)s1 44766538 KKTIGYMHSUEZBF-NSHDSACASA-N 264.394 3.564 30 20 CHED C=CCOCC(=O)N(Cc1ccccc1)c1cccc(C)c1 517929872 UTJAYLHNGWAUOX-UHFFFAOYSA-N 295.382 3.731 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCCCSCC(C)C 425915503 JPLSWAPIQLWOLM-AWEZNQCLSA-N 284.469 3.516 30 20 CHED C#CCCCC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 192130650 CVGGWZWUXIDWSK-UHFFFAOYSA-N 299.292 3.678 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2ccccc2F)C1 424655987 XEXCULVZXSVGRV-CYBMUJFWSA-N 275.367 3.744 30 20 CHED CCCc1csc(CN(CCC#N)Cc2ccco2)n1 426056043 WVIONDDHEWDDFY-UHFFFAOYSA-N 289.404 3.604 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(CN(CC)CC)cc1 337092857 MVFOMGSIXOHIME-KRWDZBQOSA-N 288.435 3.613 30 20 CHED CC(C)c1ncc(/C(O)=N/[C@H](CO)CC2CCCC2)s1 330429908 KZTXHVHUMOAYDT-LBPRGKRZSA-N 296.436 3.512 30 20 CHED N#CCc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cc1 420938324 AQRCLDFWMCGTLL-OAHLLOKOSA-N 296.336 3.917 30 20 CHED Cc1ccc(CN(C)CC(C)(C)CCC#N)s1 93049492 ZXKPBBMPKXHMPV-UHFFFAOYSA-N 250.411 3.818 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1cc(C#N)cs1 335404468 DNDYDXINHLZOGE-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1 90580666 JMNKDFGYDNHDRI-YOEHRIQHSA-N 269.392 3.778 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC(CC)(CC)C1 338801265 VIHSMZZRMSVQMQ-UHFFFAOYSA-N 288.439 3.748 30 20 CHED CC(C)(C)c1csc(CN(CCC#N)CC2CC2)n1 267970234 BHWWUYZVMAJJPF-UHFFFAOYSA-N 277.437 3.566 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@H](C)C1CCCCC1 436199814 UYLSTKUFYLRGEE-NWDGAFQWSA-N 288.391 3.794 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NCc1cc(C#N)cs1 237772429 XOUZUDBCSKNZOB-SMDDNHRTSA-N 262.422 3.924 30 20 CHED C=C1CCN(C(=O)c2ccc(OCCCC)cc2)CC1 342093834 MXBNVWVBADVACZ-UHFFFAOYSA-N 273.376 3.658 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@H](C)CC[C@H]1CC 436306747 JGUAJRHSOIFPLH-HHARLNAUSA-N 265.441 3.772 30 20 CHED CCS[C@H]1CCCC[C@@H]1Nc1nccc(C)c1C#N 343523512 GUJAJPNGXQCRNQ-KBPBESRZSA-N 275.421 3.738 30 20 CHED CCn1c(C)cc(C(=O)CSCCC(C)(C)C#N)c1C 342009334 AVCVPJNFBOTEII-UHFFFAOYSA-N 292.448 3.981 30 20 CHED Cc1cc(CN(CC(C)C)c2ccc(C#N)cc2)no1 346629926 DWTGWMWHAPMPCR-UHFFFAOYSA-N 269.348 3.517 30 20 CHED CC(C)(C#N)CCSCc1noc(-c2cccs2)n1 341903072 QCMRTUSZFJUENQ-UHFFFAOYSA-N 293.417 3.971 30 20 CHED CC(=O)Nc1cc(NCc2cccc(C#N)c2F)ccc1C 342434556 VWSLPKFPVLVHCC-UHFFFAOYSA-N 297.333 3.576 30 20 CHED N#C[C@@H](C(=O)c1ccc(-c2cccs2)o1)c1ccccn1 340947652 HTMJSXCMJSKHBG-LLVKDONJSA-N 294.335 3.893 30 20 CHED COc1cccc(C[C@@H]2CCCN2C[C@H](C)CCC#N)c1 602450449 VYROSLFAHNOTPV-WBVHZDCISA-N 286.419 3.642 30 20 CHED C=C(C)[C@H](CC(=O)N(C)c1ccc(Cl)cc1F)OCC 439182084 RGXPHAGMJKETJL-AWEZNQCLSA-N 299.773 3.813 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccccc2C#N)o1 255106467 WOOFCHYQXUPWEV-CLFYSBASSA-N 251.285 3.610 30 20 CHED C=CCC[C@H](NC(=O)N[C@H]1C[C@@H]1C(F)F)c1ccccc1 345594932 LAWMVVNUWHWRIR-IHRRRGAJSA-N 294.345 3.647 30 20 CHED CC[C@@H](NC(=O)Cc1c(F)cccc1C#N)c1ccccc1 349172159 OWDVOORVUVXZIX-QGZVFWFLSA-N 296.345 3.507 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](C)CCC(C)(C)C 605986146 WGDINTCKMANZLG-ZDUSSCGKSA-N 254.418 3.809 30 20 CHED C=CC[C@H](C)NC(=O)NCC1(c2ccccc2)CCCC1 604900948 KYKNTTFPOVOWTN-HNNXBMFYSA-N 286.419 3.762 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(C#N)c1 254990776 CHPHIWFBWMIOCI-HJWRWDBZSA-N 293.370 3.849 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1O 255285981 PDFLHFXQZPYIEX-VURMDHGXSA-N 268.312 3.605 30 20 CHED CN(C(=O)c1csc(C(C)(C)C)n1)c1cccc(C#N)c1 608805781 GWBXQMBENMYGFW-UHFFFAOYSA-N 299.399 3.589 30 20 CHED CC[C@H](NC[C@H]1CC=CCC1)c1ccc(C#N)cc1 447564827 ZGJXTCVDDMAYME-RDJZCZTQSA-N 254.377 3.955 30 20 CHED C=CC[C@H]1N(C(=O)c2csnc2C)CCCC1(C)C 443867371 KGIYWXWTNCJUSQ-CYBMUJFWSA-N 278.421 3.658 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ccc(CC(F)(F)F)cc2)C1 442864883 SHRADJINEYSPCT-YPMHNXCESA-N 268.282 3.896 30 20 CHED C=CC[C@H](C)NC(=O)Cc1ccc(CCCC)cc1 604880735 JFQHOKDFAGHISN-AWEZNQCLSA-N 259.393 3.653 30 20 CHED C=CCCCN1CCC[C@@H](Oc2ccccc2OC)C1 353261631 BVYFKBILPYXMIK-OAHLLOKOSA-N 275.392 3.505 30 20 CHED Cc1ccc(F)c(CN(C)Cc2ccc(F)c(C#N)c2)c1 444742641 JQPBMQXEIVBOLZ-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=CCCCN(C)C(=O)Cc1cc2ccccc2s1 449963090 XFXXSDNVECLGJR-UHFFFAOYSA-N 273.401 3.868 30 20 CHED C=CCC1(C(=O)NCc2cccc(OC)c2)CCCCC1 448572572 JOLPRYISVNAQMB-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1cccc(F)c1F 602583433 WKNDLSZRJAJVOF-WDEREUQCSA-N 252.308 3.555 30 20 CHED CC[C@@H](C)Oc1ccc(NC(=O)N(CC)CCC#N)cc1 267416491 BIKFNYOUJPQUMP-CYBMUJFWSA-N 289.379 3.631 30 20 CHED C=CCCCN(C)C(=O)CCc1cc2ccccc2o1 605645404 PRILIKVVRZZKJS-UHFFFAOYSA-N 271.360 3.790 30 20 CHED C=CCn1c(C)nnc1N1CC[C@@H](c2ccccc2)C[C@@H]1C 350752494 PBMJXHUZDIJTCN-WMLDXEAASA-N 296.418 3.545 30 20 CHED C=CCC1(C(=O)N(CC)C[C@H]2CCCO2)CCCCC1 448776822 IBKKYAOZIQBSNW-OAHLLOKOSA-N 279.424 3.541 30 20 CHED CCC1(CC)CN(C(=O)C[C@H](CC#N)c2ccccc2)C1 355828807 DFFCPVHAJSUWGH-INIZCTEOSA-N 284.403 3.723 30 20 CHED N#CCCN(CC1CC1)C(=O)c1ccc2sccc2c1 268361335 CPZPOAARHFRMID-UHFFFAOYSA-N 284.384 3.667 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)C1 610356834 AUMZXIAZGBMATF-FMKPAKJESA-N 299.418 3.745 30 20 CHED C=CCCc1ccccc1NCc1cnc2[nH]ccnc1-2 356330857 DALYYNBRJXWCOT-UHFFFAOYSA-N 278.359 3.640 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2cn(C)c3ccccc23)C1 617785820 ONPDHIVALPLYEE-OAHLLOKOSA-N 296.414 3.536 30 20 CHED CCC(CC)CN(CC)C(=O)Nc1ccc(F)cc1C#N 530960541 SOKSALQHYAQUQK-UHFFFAOYSA-N 291.370 3.987 30 20 CHED CC[C@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 264441623 ANAUJJREIIAEIV-NEPJUHHUSA-N 276.405 3.923 30 20 CHED C=CCCCCCN(C)Cc1cnn(C(C)(C)C)c1 538727365 LQEHKTXFZMIITJ-UHFFFAOYSA-N 263.429 3.816 30 20 CHED C[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)C(C)(C)C 619845916 KLNKAWDOVCRXOL-HNNXBMFYSA-N 285.435 3.621 30 20 CHED C=CCCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1 533498696 IZFLNXSZZRLCJV-HNNXBMFYSA-N 274.408 3.692 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)CC(C)(C)c1ccccc1 534596983 CCFVUQNLXDMKFH-GOSISDBHSA-N 286.419 3.799 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C#N)c(F)c1 611465809 UYVHTSWDGZSHRL-OLZOCXBDSA-N 293.345 3.981 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1ccc(F)cc1C#N 357778047 BAUPHUFMMLIUFZ-ZDUSSCGKSA-N 280.346 3.644 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)c1cccc(C)c1C)OCC 535887258 FTNYDYXDMFZFAU-RDJZCZTQSA-N 289.419 3.852 30 20 CHED C=CCC[C@@H](NCc1cnc(C)nc1)c1ccccc1 351751445 BHPLFNSPWSLTCM-QGZVFWFLSA-N 267.376 3.582 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1cccs1 353565757 XKVNWRLQEALQSU-SECBINFHSA-N 289.335 3.642 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](CC)c1nc(C)cs1 358983521 CGSXDEZQBJFJJL-VXGBXAGGSA-N 281.425 3.557 30 20 CHED Cc1ccc(OCCCN2CCC[C@](C)(C#N)C2)cc1C 612162169 LEGHYTAAPKSLGS-GOSISDBHSA-N 286.419 3.698 30 20 CHED CC[C@H](NCc1csc(C)n1)c1ccc(C#N)cc1 618565410 ZEOGOEMATQOQJE-HNNXBMFYSA-N 271.389 3.564 30 20 CHED Cc1ccccc1CN=c1c(C#N)c[nH]c2c(C)cccc12 610211369 RFEFEJKJGRGGPO-UHFFFAOYSA-N 287.366 3.757 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)CCC 615613445 WZOZKXGJLVHMPO-CYBMUJFWSA-N 278.371 3.712 30 20 CHED COc1ccc(CNc2c(F)cc(C#N)cc2F)c(C)c1 531961375 CBAHQFHWDYMDNT-UHFFFAOYSA-N 288.297 3.766 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OCC(C)C)cc1 453341865 DEKJIJRAISUGMH-QGTPRVQTSA-N 289.419 3.716 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 459881188 AKCBFIXOXQKCOU-UHFFFAOYSA-N 276.336 3.752 30 20 CHED Cc1ccc2c(c1)CCN(Cc1ccc(C#N)cc1C)C2 616784875 ZTQMLVVUTWIPQI-UHFFFAOYSA-N 276.383 3.733 30 20 CHED CCN(Cc1cccs1)C(=O)Nc1cc(C)cc(C#N)c1 455961966 AGMQVSKROAVQNP-UHFFFAOYSA-N 299.399 3.982 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 454665269 JHKBKVHPHXBDJR-LKFCYVNXSA-N 296.773 3.804 30 20 CHED C=C[C@H](CC(=O)Nc1c(C)cnn1CC)c1ccccc1 618439407 HWWXQUWTNYQZOZ-CQSZACIVSA-N 283.375 3.510 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccnc2ccccc12 618742742 QYEGQWAHZMXPBG-FQEVSTJZSA-N 299.377 3.884 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(c2ccc(F)cc2)CC1 364076248 GARHKWIOWANORW-UHFFFAOYSA-N 287.378 3.581 30 20 CHED C=CCCC1(C(=O)N(C)c2nc3ccccc3o2)CC1 361523702 FXVZGODQPMCOAT-UHFFFAOYSA-N 270.332 3.537 30 20 CHED Cc1ccc(CCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)s1 362121907 HVJCRKQGBVUHKD-WBMJQRKESA-N 290.432 3.578 30 20 CHED C=CCCCNC1(c2ccc(F)cc2F)CCC1 540455464 KHHSFNRQAHWCRG-UHFFFAOYSA-N 251.320 3.900 30 20 CHED C=C(CC)CNC(=O)N(CC)Cc1ccc(Cl)cc1 455529759 YMVVVODBWOHKHL-UHFFFAOYSA-N 280.799 3.838 30 20 CHED C=CC(C)(C)CNC(=O)c1scnc1C1CCCC1 452771801 BPVJBZVCPMKKEF-UHFFFAOYSA-N 278.421 3.743 30 20 CHED CC(C)(C#N)CC(=O)Nc1cccc(C(F)F)c1 278801061 XRRAGDQCFBJQAV-UHFFFAOYSA-N 252.264 3.503 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](C)[C@@H](C)COC)c1ccccc1 360373236 DGLIRPYKBAJXHS-ZOBUZTSGSA-N 289.419 3.729 30 20 CHED C=CCC(C)(C)C(=O)N(Cc1cccc(F)c1)C1CC1 459955238 ZNKNCQAQHHNWMM-UHFFFAOYSA-N 275.367 3.919 30 20 CHED CCC[C@H](CC1CCCCC1)C(=O)NCCCC#N 542229253 RNLQHHKXCXUPRL-OAHLLOKOSA-N 264.413 3.793 30 20 CHED C=CCSCCNC(=O)[C@H](C)CCCc1ccccc1 543746330 MXTLIJLEBMFGIN-OAHLLOKOSA-N 291.460 3.681 30 20 CHED C=CCOCCNC1(c2cccc(C)c2)CCCC1 549920025 ZHXGCOKSJVUGTB-UHFFFAOYSA-N 259.393 3.557 30 20 CHED N#Cc1ccc(/C=C/c2nc([C@@H]3Cc4ccccc43)no2)cc1 544972972 QAEFQSOXMBVZAL-OAGJVSPASA-N 299.333 3.800 30 20 CHED CC(C)C[C@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)CCO1 272023074 PVZJUQIFPYNLLO-NEPJUHHUSA-N 293.798 3.612 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2ccc(CC)cc2)no1)OCC 545538307 NYEOAPMMMFQIPJ-OAHLLOKOSA-N 286.375 3.823 30 20 CHED N#Cc1cc(N2CCC[C@@H]2c2ccsc2)ccc1[N+](=O)[O-] 274219585 NGKNIGINYWDOLB-CQSZACIVSA-N 299.355 3.869 30 20 CHED C[C@@H](CN(C)c1c(F)cc(C#N)cc1F)c1nccs1 273099372 DWLRRLWJUAWFCK-VIFPVBQESA-N 293.342 3.533 30 20 CHED Cc1ccc(-c2nnc(S[C@@H]3CC[C@@H](C#N)C3)n2C)cc1 278552490 LPDWJHZOIMGBDL-TZMCWYRMSA-N 298.415 3.575 30 20 CHED CC(C)(C#N)CC(=O)Nc1nc(Cc2ccccc2)cs1 278904800 ZBMQADHVWJEWNY-UHFFFAOYSA-N 299.399 3.612 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cccc([N+](=O)[O-])c1C 467404997 OJWKLWILLMOWRC-STQMWFEESA-N 262.353 3.909 30 20 CHED Cc1ccnc(N[C@@H](C)[C@H](C)c2ccccc2)c1C#N 541349722 QBEDUKYXUFSSSP-KBPBESRZSA-N 265.360 3.866 30 20 CHED CC(C)(C)CSCc1nnc(-c2ccc(C#N)cc2)o1 374087168 ASLNYLZHBPECKR-UHFFFAOYSA-N 287.388 3.888 30 20 CHED CC#CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 278859243 LZCCFCOXGVQEBY-ZDUSSCGKSA-N 282.170 3.680 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)C[C@@H](C)CC 463894742 IKIWYESXUBMZBS-UONOGXRCSA-N 275.392 3.806 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 469786980 MMFHFUSEFVAYFA-GHMZBOCLSA-N 283.824 3.978 30 20 CHED C=CC1CCN(C(=O)c2cc(-c3ccccc3)ns2)CC1 469979609 YQJHVYXIVDDAQZ-UHFFFAOYSA-N 298.411 3.848 30 20 CHED C=CCCN(C)Cc1c(C)nn(Cc2ccc(C)cc2)c1C 467372143 ZOBFAYZKPLWJII-UHFFFAOYSA-N 297.446 3.865 30 20 CHED C=CCCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 280814153 UDXXAESYWRAVCM-GFCCVEGCSA-N 293.716 3.558 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1NCc1ccc(C#N)cn1 554074205 VZBMDRLNQIJVGW-JKSUJKDBSA-N 271.408 3.648 30 20 CHED CC[C@@H]1CCCCN1CCNc1c(Cl)cccc1C#N 462833560 JWRDRBXYVKPUMK-CQSZACIVSA-N 291.826 3.888 30 20 CHED C=C(C)CCNc1cc(Br)ccc1NC(C)=O 288670120 HMDWWWDZAQMICZ-UHFFFAOYSA-N 297.196 3.786 30 20 CHED C=CCC[C@@H](NC[C@@H](CCC)CCO)c1ccco1 286209859 RZDPSFSBJHGLAZ-LSDHHAIUSA-N 265.397 3.675 30 20 CHED CC[C@H](CNC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 551205874 QJMMSILDTYTYIT-CYBMUJFWSA-N 296.345 3.621 30 20 CHED Cc1cc(Cl)cc(C(=O)N2CCc3ccc(C#N)cc32)c1 550522587 HTJZBXALFYJHFC-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1C(C)(C)C 463283169 ZMJVTHCRNDKPLL-UHFFFAOYSA-N 257.377 3.798 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccc(SC)cc1)C1CC1 282236665 NUQGMARRWFKFCV-LBPRGKRZSA-N 290.432 3.830 30 20 CHED C=CCc1cc(CN2[C@@H](CC)CC[C@H]2C)cc(OC)c1O 554887842 DTZULAYYOUITLV-CJNGLKHVSA-N 289.419 3.892 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccccc1)CC(F)F 281295378 IUJBWKCJMIIZMF-CQSZACIVSA-N 296.361 3.818 30 20 CHED CSc1ccccc1NCCCC1(C#N)CCOCC1 281286682 SHHYBRMGKVKMNF-UHFFFAOYSA-N 290.432 3.921 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccccc2OC(F)F)no1 289157266 ZRXCUWUHOYMQND-CQSZACIVSA-N 293.273 3.529 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](c1ncccc1C)C(C)C 281932080 RQLMCRKAXBZQJL-CABCVRRESA-N 289.423 3.741 30 20 CHED C=CCCCCNC(=O)N(CC)Cc1c(F)cccc1F 472835966 PYQKBHRPUSBAPD-UHFFFAOYSA-N 296.361 3.853 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2occc2C(C)C)cc1 290289942 YZGAIYFTZBYVNK-MRXNPFEDSA-N 296.370 3.960 30 20 CHED C[C@H](CCC#N)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 298513330 KUELSXXOMHUUOI-AYOQOUSVSA-N 294.398 3.743 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H](C)C(F)(F)F)c1ccccc1 476329352 VUTKWKWISGRJJC-NEPJUHHUSA-N 285.309 3.661 30 20 CHED C/C=C/C=C\C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 700886411 HDONPOWMYAMMQM-IAROGAJJSA-N 280.249 3.648 30 20 CHED C#Cc1ccc(CNCc2cccc(OC(C)(C)C)n2)cc1 809630733 HZHVLXSGTRJCLZ-UHFFFAOYSA-N 294.398 3.530 30 20 CHED C#Cc1cc(F)c(NCc2cnc(Cl)s2)c(F)c1 802746044 ZMZXZJIIVZUIJY-UHFFFAOYSA-N 284.718 3.668 30 20 CHED COc1cc(/C=C2/C(=O)c3ccccc3[C@@H]2C)ccc1O 809158370 ADFPONNHHSLNRX-ZRRZQRFHSA-N 280.323 3.784 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C/c1ccc(O)c(O)c1O)CCC2 806550413 CJAPRIZTYGEZRH-RPJLVFAOSA-N 297.354 3.608 30 20 CHED Cc1ccoc1CN(C)C(=O)c1ccc(C(C)(C)C#N)cc1 292065530 BBDLBJJBOBDLOE-UHFFFAOYSA-N 296.370 3.661 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCc3cccc(F)c32)cc1 809767906 XMZXZRPIMTUYGZ-CYBMUJFWSA-N 296.345 3.679 30 20 CHED C=CCC(C)(C)C(=O)NCCCCCCSC(C)=O 293651368 ZPZRCLMRVWZVPO-UHFFFAOYSA-N 285.453 3.545 30 20 CHED CC(C)C[C@@H](NCCO[C@@H](C)C#N)c1ccc(Cl)cc1 801937954 AEEXMOFVMDPCJU-XJKSGUPXSA-N 294.826 3.945 30 20 CHED CCCCCCC[S@](=O)Cc1c(C)cc(C)nc1OC 806642354 QRWJFTGZTLVBPI-FQEVSTJZSA-N 297.464 3.926 30 20 CHED C#Cc1ccc(CN2CCO[C@@H](c3ccccc3C)C2)cc1 809577952 DIJOLYZNFWIAOG-HXUWFJFHSA-N 291.394 3.550 30 20 CHED CCO[C@H]1CC(=NNc2c(C)cc(C)cc2C)[C@@H]1SC 807974770 UCFHZQUBYLZHGL-HOCLYGCPSA-N 292.448 3.920 30 20 CHED C=CCC[C@@H](NC[C@H](CO)Cc1ccccc1)c1ccco1 560527838 FUVQYJMRSZUCAM-QZTJIDSGSA-N 299.414 3.728 30 20 CHED C=C[C@H](C)NC(=O)N(CC)C[C@@H](CC)c1ccccc1 477190667 LMINILCHSKEKRV-LSDHHAIUSA-N 274.408 3.786 30 20 CHED C=CCCC1(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)CC1 565024711 MSGBXSVDNVIMRU-OAHLLOKOSA-N 284.403 3.738 30 20 CHED C#Cc1ccc(CN[C@H]2CCOc3c(Cl)cccc32)cc1 809610418 ZOFJNQNRXPGMDT-KRWDZBQOSA-N 297.785 3.935 30 20 CHED C[C@H]1CC(=NNc2ccc3ccccc3n2)CC[C@@H]1C(=O)O 814697608 VNBPAKLNCGLQFT-FZMZJTMJSA-N 297.358 3.524 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1sccc1Cl 811667346 SFPXWHDTQXOBON-NSHDSACASA-N 294.807 3.793 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2C[C@H]2c2cccc(O)c2)n1 561292627 FVUPCPHLKIGEPW-UONOGXRCSA-N 284.359 3.900 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(F)ccc1Cl 815349240 YHRRDPJGNUTKMS-UHFFFAOYSA-N 263.646 3.629 30 20 CHED CCOc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)cc1 811686913 JLSGOSJRISICAS-DHZHZOJOSA-N 295.313 3.992 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CCCC2(C)C)s1 483978850 RPCIMEVVAIHIIE-GFCCVEGCSA-N 276.405 3.947 30 20 CHED CC[C@H](NCc1ccc(C#N)c(C)c1)c1c(C)noc1C 488300647 PLQRYDFRKWKZGF-INIZCTEOSA-N 283.375 3.712 30 20 CHED C[C@@H]1C(=NNc2ccc(Cl)cc2)CC[C@H]1CC(=O)O 814683747 OGBAOHPUHBTXNH-UWVGGRQHSA-N 280.755 3.629 30 20 CHED CSCc1ccc(NC(=O)c2ccc(C#N)s2)cc1 487324414 VPDQYXXVIAXASC-UHFFFAOYSA-N 288.397 3.735 30 20 CHED C=CCC[C@H](NCc1cn(CCC=C)nn1)c1ccccc1 653606663 WZYDDYSWPUEBPV-SFHVURJKSA-N 296.418 3.651 30 20 CHED C[C@H]1CCc2sc(NC(=O)C3CC3)c(C#N)c2[C@@H]1C 575103738 QLAKIFFOSACXSB-DTWKUNHWSA-N 274.389 3.654 30 20 CHED CSc1ccc(C=NNCC2CCCC2)s1 814933293 KTDXFKMZNMGODS-UHFFFAOYSA-N 254.424 3.584 30 20 CHED CCC(=NNc1cc(F)c(F)cc1F)c1ccc(F)cn1 814851014 FHELRYUGDXWYFX-UHFFFAOYSA-N 297.255 3.864 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(N)nc1 814751149 HVCOOTCYRRKPCN-UHFFFAOYSA-N 295.173 3.807 30 20 CHED Fc1cccc(NN=Cc2conc2Cc2ccccc2)c1 814815278 RUZGUPGVGZUOLW-UHFFFAOYSA-N 295.317 3.851 30 20 CHED CC#CCCNCc1ccc(-c2ccccc2)cc1OC 482166082 UGUJYBOSMPHXPJ-UHFFFAOYSA-N 279.383 3.865 30 20 CHED N#CC1(CN[C@H]2CCC[C@@H]2c2ccccc2Cl)CC1 576894263 NEEGOBXTWXVCBR-HIFRSBDPSA-N 274.795 3.869 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(C)nc1C 814864087 ORJKNGRGMPCVLF-UHFFFAOYSA-N 293.292 3.952 30 20 CHED COc1ccc(F)cc1C=NOCc1ccc(F)cc1 812229864 JZMKSBDEWCNLOR-UHFFFAOYSA-N 277.270 3.524 30 20 CHED CCC(=NNc1ccc(Cl)c(C(=O)O)c1)c1ccco1 814690111 UPYOYUAOFJVXFM-UHFFFAOYSA-N 292.722 3.857 30 20 CHED C=CCC(F)(F)C(=O)N(c1ccccc1)C(C)C 815542544 JVQYGFCPRDMPPH-UHFFFAOYSA-N 253.292 3.639 30 20 CHED C#CC[C@@H](N[C@H](C)Cc1ccc(O)cc1)c1ccccc1 816558818 MCTFPYYFPWZXTQ-DNVCBOLYSA-N 279.383 3.677 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 488874702 VPQUCAJMJWQTQS-HNNXBMFYSA-N 280.371 3.862 30 20 CHED CC[C@](C)(C#N)C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 573602856 STLTZOKZEHDRFN-HEHGZKQESA-N 264.413 3.599 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cc(C)nc(Cl)c1 821452220 RCDYXZDGVUIMBH-UHFFFAOYSA-N 267.756 3.689 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)c1ccc(Cl)cc1 650070579 OLSVTKGISPMLFW-NSHDSACASA-N 265.784 3.772 30 20 CHED C=CCCn1cc(CN[C@H]2CCC[C@H](C(C)C)CC2)nn1 657438803 VHBAGWSQBYNELK-HOTGVXAUSA-N 290.455 3.549 30 20 CHED C=CCCCC[C@@H](C)N[C@H](CC)C1CCOCC1 578089184 CQQCFPRUOBPUQF-GDBMZVCRSA-N 253.430 3.916 30 20 CHED C#Cc1cccc(NC(=S)NN=C2CCCC[C@H]2C)c1 727260514 YYUIUDZCEHGGPZ-GFCCVEGCSA-N 285.416 3.520 30 20 CHED CC(C)N(Cc1ccccc1C#N)c1ccccc1 497998338 IWXMVCJPOXFCFO-UHFFFAOYSA-N 250.345 3.973 30 20 CHED C#Cc1cccc(NC(=S)N(CCCC)C2CC2)c1 726479928 MDKVUUNPWCRZBC-UHFFFAOYSA-N 272.417 3.629 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC(CCC#N)CC1 570968439 ROJJQMZXQPAUEK-CVEARBPZSA-N 276.424 3.745 30 20 CHED C=C(C)CNC(=S)N[C@H]1CCC[C@H]1CCC(C)C 727784024 ATEHJXLBNSYXQK-KBPBESRZSA-N 268.470 3.632 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(N(C)C)c(F)c2)o1 727653761 ADTIGGBVGGKHLP-VURMDHGXSA-N 273.307 3.689 30 20 CHED COc1ccc(C)cc1[C@@H](C)NC(=O)CCCCCC#N 588147409 DKEZKRFOIFQMBP-CQSZACIVSA-N 288.391 3.655 30 20 CHED N#CCCCCCC(=O)N1CC[C@H](c2ccccc2F)C1 588157388 MIAJKLGRXUILGU-AWEZNQCLSA-N 288.366 3.616 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]1[C@@H]1CCCOC1 582665330 WEKLSPHETKRCNQ-HZPDHXFCSA-N 278.440 3.597 30 20 CHED C#CC[C@H](N[C@H](C)CC(C)(C)CC(=O)O)c1ccccc1 902241998 VEVSSKZDRXLWTE-ZBFHGGJFSA-N 287.403 3.620 30 20 CHED S=C(Nc1cccc(C#Cc2ccccc2)c1)NC1CC1 909560270 UBLYKVCYBYBPSR-UHFFFAOYSA-N 292.407 3.535 30 20 CHED CCCC[C@@](C)(F)C(=O)N[C@H](C)c1cccc(C#N)c1 829334523 HHKRVTMMUWWISU-MLGOLLRUSA-N 276.355 3.654 30 20 CHED O=C(/C=C\c1ccc(OC(F)F)c(F)c1)c1ccncc1 588386628 PAJQHUOIZYRYCC-IWQZZHSRSA-N 293.244 3.718 30 20 CHED Cc1ccc(NC(=O)C#CC(C)C)c(OCC(F)(F)F)c1 823367308 WPVQMOQHMGKVMF-UHFFFAOYSA-N 299.292 3.534 30 20 CHED N#Cc1ccc(N2CCC[C@H]3C[C@@H]32)c(C(F)(F)F)c1 588066474 QFPCQJQANJDQRO-GWCFXTLKSA-N 266.266 3.566 30 20 CHED C=CC[C@H](NC(=O)N(C)C(C1CC1)C1CC1)c1ccncc1 734679307 FXNIXZIKUSDDJT-INIZCTEOSA-N 299.418 3.529 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C2CC2)C1 588978205 PQYKBJLWMGCGPW-CXAGYDPISA-N 254.377 3.741 30 20 CHED CC(C)(C)Oc1ccc(NCC[C@H]2CCCO2)cc1C#N 834634621 DEYFABCAGDZEMP-OAHLLOKOSA-N 288.391 3.717 30 20 CHED C=CC(C)(C)C(=O)OCc1ncc(-c2ccc(F)cc2)o1 835122941 DBGZHTSSSFLHNX-UHFFFAOYSA-N 289.306 3.736 30 20 CHED Cc1oc(C(C)C)cc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839061968 JJPUHPZIJDMOGC-CHWSQXEVSA-N 275.348 3.951 30 20 CHED C=CCCCOC(=O)c1ccc(N2CCCCCC2)nc1 735528899 VFKJQKJJKNFUDJ-UHFFFAOYSA-N 288.391 3.585 30 20 CHED N#CC1(CCCCSCCOCC(F)F)CCC1 901784242 TYPVHODBMBDPDW-UHFFFAOYSA-N 277.380 3.865 30 20 CHED C=C(Cl)CNC(=O)CCCCCc1ccc(OC)cc1 736239385 WCAQHWNHLNVLKE-UHFFFAOYSA-N 295.810 3.667 30 20 CHED CC[C@@H](O)CNN=Cc1ccccc1-c1ccc(C)cc1C 901238577 FVMQVWGSGIDODG-QGZVFWFLSA-N 296.414 3.665 30 20 CHED CC(=NNc1ccc2ccccc2n1)[C@@H]1C[C@H]2CC[C@H]1O2 834920571 PCZHMIZYSJORPC-IJEWVQPXSA-N 281.359 3.590 30 20 CHED Fc1cc(Br)ccc1C1CC(=NNC2CC2)C1 834970040 XDZFKOJILWJOSR-UHFFFAOYSA-N 297.171 3.574 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)c1ccc(C)cc1 584438964 WMTHNMBXONQCQG-UHFFFAOYSA-N 270.380 3.664 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCCC[C@H]1CC 583052700 GYARTOVMPPJSJV-CQSZACIVSA-N 290.455 3.822 30 20 CHED C#CCCCC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 838128961 ZRHOOWJXQMGJHM-INIZCTEOSA-N 261.409 3.607 30 20 CHED C=CCC1(C(=O)Nc2cc(Br)ccn2)CCC1 580940394 QIOQAUNWHRPPMM-UHFFFAOYSA-N 295.180 3.529 30 20 CHED CSc1cccc(F)c1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839451004 XAVLDLACWFBMMA-GHMZBOCLSA-N 293.363 3.787 30 20 CHED CC(CCCc1cccnc1)=NNCC1CCCC1 834980656 SISCIDQEIJOZIB-UHFFFAOYSA-N 259.397 3.560 30 20 CHED CC(=NNCc1cccc2cccnc12)c1ccccc1F 915958897 AFOGJQLEAKAMIK-UHFFFAOYSA-N 293.345 3.888 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC(C3CCCCC3)C2)cc1 839136424 PLNGRPUMCBHVGD-HNNXBMFYSA-N 298.430 3.990 30 20 CHED CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccco1 916285686 ZSDSPDYPLWAGAC-UHFFFAOYSA-N 293.779 3.644 30 20 CHED Cc1nc2scc(C)n2c1C=NNc1ccc(F)cc1 916268058 HGPOWXPSXWTOLV-UHFFFAOYSA-N 288.351 3.598 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 678979379 BLQDCXRARQUIPY-UHFFFAOYSA-N 293.750 3.745 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2CC)C12CCC2 741163401 RGCIZXHNHKNFMI-INIZCTEOSA-N 272.392 3.996 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc3c(c2)COC3)c1 742436437 KESSQPDMAFQGBF-YVMONPNESA-N 294.350 3.759 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C#N)CC)c1ccc(Cl)cc1 597040665 XHZLBZXBMIIVHI-ZIAGYGMSSA-N 278.783 3.642 30 20 CHED COc1cccc(O)c1/C=N/CCc1ccc(Cl)s1 915983243 UUXGYJUBAWNIRJ-CXUHLZMHSA-N 295.791 3.777 30 20 CHED C=CCCN(C)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 840054095 PXUKSCHTYRPLHU-KRWDZBQOSA-N 298.430 3.596 30 20 CHED Cc1cccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)c1 912825277 OYTATNVEMZEWAN-UHFFFAOYSA-N 286.285 3.596 30 20 CHED C[C@H]1C[C@H](NCC(C)(C)CC#N)c2c(O)ccc(F)c21 840787120 IFRRZLOGVFRCRB-JQWIXIFHSA-N 276.355 3.609 30 20 CHED Cc1cc(C#N)ccc1N1CCC[C@]2(CCSC2)C1 846756663 ZDHQZDSAJYVDMJ-INIZCTEOSA-N 272.417 3.590 30 20 CHED C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccc(Cl)s1 597907849 IPAPKOFFUJOIIQ-GHMZBOCLSA-N 296.823 3.657 30 20 CHED C=C(Br)COC(=O)c1cccc(F)c1Cl 745656833 ZETFOLFENKGGDQ-UHFFFAOYSA-N 293.519 3.545 30 20 CHED Cc1cc(O)nc(CSCCC2(C#N)CCCCC2)n1 842175482 RQANEJRNQZEODP-UHFFFAOYSA-N 291.420 3.588 30 20 CHED Cc1cc(C#N)nc(N2CCC[C@H]2c2c(C)cccc2C)n1 596317607 OIDAWBKQZVJTDZ-INIZCTEOSA-N 292.386 3.615 30 20 CHED CCC(=NNC(=S)Nc1cccc(C)c1C)C1CC1 741161182 KBQHPPSGEVSCTD-UHFFFAOYSA-N 275.421 3.766 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1c(Cl)cccc1C#N 591998143 GVWGQAUQMPYFEO-KWQFWETISA-N 252.770 3.518 30 20 CHED N#Cc1ccc(N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cn1 599115903 AUNSXVLKOOOHKB-CYBMUJFWSA-N 299.324 3.615 30 20 CHED Cc1cc(C#N)ccc1NC[C@H]1CCN(c2ccccc2)C1 846748405 OWGTYUDAUZOBSC-QGZVFWFLSA-N 291.398 3.805 30 20 CHED C=C(C)CNC(=O)c1cc2c(Cl)cccc2s1 681674596 MEZCILKUBPDZJM-UHFFFAOYSA-N 265.765 3.861 30 20 CHED N#CC1(COc2cccc3ccc(Cl)nc23)CCC1 842044417 UFTRNQPDZGZSFU-UHFFFAOYSA-N 272.735 3.961 30 20 CHED Cc1nn(C(C)C)cc1C(=O)O[C@H](C)c1cccc(C#N)c1 847639340 CRKQDLLKLAFJCI-CYBMUJFWSA-N 297.358 3.562 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OCc1cccs1 847628254 ZUZKJFPYDFIXOL-GFCCVEGCSA-N 285.368 3.542 30 20 CHED CCCC(=Nn1cnnc1)c1ccc(Cl)c(Cl)c1 746676634 HGFAJWSEQVBHGO-UHFFFAOYSA-N 283.162 3.637 30 20 CHED Cc1cc(C#N)ccc1N1C[C@H](C)C[C@@H]1c1cccnc1 846755020 CLKARJBTEAQMMY-FZKQIMNGSA-N 277.371 3.849 30 20 CHED C=CCOc1ccc(OC(=O)[C@H](C)Oc2ccccc2)cc1 742860211 MDBXHLCQTOJVEN-AWEZNQCLSA-N 298.338 3.624 30 20 CHED Oc1nc2ccccc2cc1/C=N\CC(C1CC1)C1CC1 743044549 LKXWKRQIAZMEDD-GRSHGNNSSA-N 280.371 3.796 30 20 CHED CC(=NNc1cc(Cl)nc(C)n1)c1ccc(F)c(F)c1 741763952 LULFXHWTEFZYIL-UHFFFAOYSA-N 296.708 3.553 30 20 CHED C#CCCOC(=O)C1CCC(c2ccccc2)CC1 744049146 JIAPZUFWXVIPIM-UHFFFAOYSA-N 256.345 3.527 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(OCC#N)cc2)c1 744743720 VYGGUJAIPSGVKE-UHFFFAOYSA-N 279.343 3.652 30 20 CHED CCOc1ccc(/C=N\CCc2ccccc2F)c(O)c1 920944047 OHJIBFGSNSGDMW-UNOMPAQXSA-N 287.334 3.592 30 20 CHED CC1=C(C)C[C@H](C(=O)Oc2ccc(C#N)cc2)CC1 842678217 AKJFPSJPLPZWEB-CQSZACIVSA-N 255.317 3.600 30 20 CHED C[C@H](NC(=O)N1CCC2(CCCC2)C1)c1ccc(C#N)cc1 743125185 OPWHFKHOUPAJOB-AWEZNQCLSA-N 297.402 3.595 30 20 CHED N#C[C@@H](C(=O)C=C1CCCC1)c1nc2ccccc2o1 920115907 OPRZXUXOZMEBJX-LBPRGKRZSA-N 266.300 3.504 30 20 CHED COc1ccc(C(=O)/C=C\c2nc(Cl)cs2)c(F)c1 759071099 FDZFKKSTHMDKOF-PLNGDYQASA-N 297.738 3.840 30 20 CHED C=C(C)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12 755990893 FYMWGMUKCJOTNV-LBPRGKRZSA-N 257.333 3.608 30 20 CHED CC(=NNc1cccc(Cl)c1F)c1ccc(N)cc1 921137771 KTRREZYXVISURJ-UHFFFAOYSA-N 277.730 3.897 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1ccc(C(C)(C)O)cc1 924699855 JQCPOFSXKPBWJB-AWEZNQCLSA-N 294.398 3.636 30 20 CHED CC(C)n1cccc1C(=O)O[C@H](C)CC(C)(C)C#N 851207851 IJCBVPIZDLXJKE-GFCCVEGCSA-N 262.353 3.554 30 20 CHED C#CC[C@H](NC(=O)N(C1CC1)[C@H](C)C(C)C)c1ccccc1 757773973 UABNAJBWBKLPBV-QAPCUYQASA-N 298.430 3.970 30 20 CHED C[C@H](C(=O)OCc1ccc(C#N)cc1F)C1CCCC1 750477401 VVAPWGJSIPZYLL-NSHDSACASA-N 275.323 3.567 30 20 CHED N#CCc1cccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)c1 854883826 LPKMWLWCNAUTFO-LLVKDONJSA-N 297.185 3.665 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1nc2ccccc2[nH]1 751130411 AJXMVUSAHJWBRQ-NSHDSACASA-N 276.343 3.571 30 20 CHED C=CC[C@H](NC(=O)C[C@@H](C)c1ccco1)c1ccncc1 859404134 IIENIONHQDGAFP-HIFRSBDPSA-N 284.359 3.602 30 20 CHED FC(F)(F)c1cccc(NN=CC2CCOCC2)c1 755466544 GCWHPKUHGYKOOQ-UHFFFAOYSA-N 272.270 3.530 30 20 CHED C=CCN(C(=O)c1nc(Cl)ccc1F)c1ccccc1 759782203 UPQOTUXKXOIZDY-UHFFFAOYSA-N 290.725 3.707 30 20 CHED CCCCCCCCNC(=O)Cn1cnc2ccccc21 755214379 DIMJUFOTDCTHQL-UHFFFAOYSA-N 287.407 3.513 30 20 CHED C#CCCCNC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 858257734 NNDNKXNVSSJSOW-IRXDYDNUSA-N 284.403 3.584 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3CC[C@@H](C)C3)[nH]c12 759554760 KDUQUXBKMOTSER-MRVWCRGKSA-N 295.386 3.874 30 20 CHED Cc1ccc(C)c(NN=C2C(=O)Nc3c(C)ccc(F)c32)c1 750929467 BGRCSCZRRILSDJ-UHFFFAOYSA-N 297.333 3.519 30 20 CHED C#CC[C@@H](Nc1cccc(F)c1C#N)c1ccccc1 756957273 OACWMVMPVPFUED-MRXNPFEDSA-N 264.303 3.874 30 20 CHED C=C(C)[C@H](C)OC(=O)CCc1ccc2[nH]ccc2c1 755988613 ALLUKTLGJZZIOB-LBPRGKRZSA-N 257.333 3.608 30 20 CHED CC(=NNc1cncc(Br)c1)c1ccccc1 758129074 BARWJOYBUJUEHH-UHFFFAOYSA-N 290.164 3.680 30 20 CHED COc1ccc2c(c1)C/C(=C\c1scnc1C1CC1)C2=O 865227961 YYVLTLBEONODPI-XYOKQWHBSA-N 297.379 3.852 30 20 CHED Cc1cncc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])c1 767366620 MFNGKFGMPAIFII-NINQLNBYSA-N 294.310 3.751 30 20 CHED CCC[C@H](C(=O)OCc1ccc(C#N)cc1F)C(C)C 763844807 GGYAIOCUIACEHN-AWEZNQCLSA-N 277.339 3.813 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/Cc1ccc(F)cn1 763098499 YBHLVNMLAAHQAF-YAXRCOADSA-N 299.132 3.852 30 20 CHED CCCCCCC[C@H](C)CN1C(=O)CN(C(C)C)C1=O 761122227 QIHLNURQPOQXQY-AWEZNQCLSA-N 282.428 3.656 30 20 CHED C#CCN(Cc1cccc(OCC)c1O)C1CCCCC1 769145669 MQUUJVHPAHBNFG-UHFFFAOYSA-N 287.403 3.559 30 20 CHED C=C(C)COCCNC(=S)Nc1cccc(C(C)C)c1 761830314 ZKLNDRAULDWNLW-UHFFFAOYSA-N 292.448 3.689 30 20 CHED CC(=NNCC(F)(F)F)C(C)(C)c1ccc(F)cc1 769813212 DDVCWLVMXGIHCQ-UHFFFAOYSA-N 276.277 3.631 30 20 CHED Cc1cc(OC(=O)c2c(F)cc(F)cc2F)ccc1C#N 765091594 IYOAXBWROQKARL-UHFFFAOYSA-N 291.228 3.503 30 20 CHED C=CC(C)(C)CC(=O)N1CC(Cc2ccccc2C)C1 879117846 GGZHFXDHEHZEJM-UHFFFAOYSA-N 271.404 3.598 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(F)ccc1F 766771271 AJFOMBVIXGUPKH-UTCJRWHESA-N 273.282 3.818 30 20 CHED C=C(C)CNC(=S)N[C@H](C)c1nc(C(C)(C)C)cs1 1116001890 QTRCBGVRLWIVLW-SNVBAGLBSA-N 297.493 3.542 30 20 CHED N#C[C@]1(C(=O)Oc2cc(F)cc(Cl)c2)CC12CCCC2 875879265 DUHQEIMCZHTCFF-HNNXBMFYSA-N 293.725 3.859 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2ncco2)cc1 879352045 IDRDZIQPOSKIKF-UHFFFAOYSA-N 270.332 3.882 30 20 CHED Cc1cccc(/C=C2\C(=O)Nc3cc(C#N)ccc32)c1C 773161961 SENHAQOLUDFCDQ-SXGWCWSVSA-N 274.323 3.668 30 20 CHED C#CCOc1ccccc1OCc1coc(C(C)(C)C)n1 877877956 ORHPXKCJWJZLDG-UHFFFAOYSA-N 285.343 3.563 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1ccc(C)s1 779860067 RRIXLFPNCJYYQK-CYBMUJFWSA-N 263.406 3.817 30 20 CHED C#CCN(C)C(=O)C1(c2c(Cl)cccc2Cl)CCC1 772642862 WQUFKAZKJZZZNT-UHFFFAOYSA-N 296.197 3.507 30 20 CHED Cc1ccc(CCC=NNc2cc(F)c(F)cc2F)cn1 774387570 UROMKHOJLLHEBN-UHFFFAOYSA-N 293.292 3.838 30 20 CHED Cc1ccncc1[C@H](C)Nc1snc(Cl)c1C#N 771278177 RNBFHAZSIFRINN-QMMMGPOBSA-N 278.768 3.545 30 20 CHED C#CCCCCC(=O)Nc1cc(-c2ccccc2C)[nH]n1 774288085 PDBTXWDRMMKEPI-UHFFFAOYSA-N 281.359 3.517 30 20 CHED C=CCCCC(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C 778815989 CWLHQYXYDLSOLW-LBPRGKRZSA-N 277.320 3.864 30 20 CHED Fc1cccc(Cl)c1C=NNc1ccc2[nH]ncc2c1 779820683 MKXYEWFUZOGRMN-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 880292818 WQGMRGNXKBVNTC-GFCCVEGCSA-N 289.375 3.504 30 20 CHED CS[C@H]1CCCC(=NNc2ccc(C(C)(C)C)nn2)C1 1120245418 IOMLLMLUWXQMHA-LBPRGKRZSA-N 292.452 3.848 30 20 CHED C=C(C)CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 1120950070 PVWQJEWMZULJBJ-UHFFFAOYSA-N 279.290 3.795 30 20 CHED Cc1ncc(CCNc2c(Cl)cccc2C#N)s1 771926823 KDTVKSACVAYLGZ-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C=CC(C)(C)CC(=O)Nc1sc2c(c1C#N)CCC2 887638246 QKYIORJXOKMBRK-UHFFFAOYSA-N 274.389 3.649 30 20 CHED Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 772959778 NMFZOFDPHBKHHN-LSDHHAIUSA-N 295.386 3.704 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2cccc(C3CC3)c2)c1 1126844695 YDMANAYHRDHSDU-UHFFFAOYSA-N 295.313 3.932 30 20 CHED CC#CCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784484144 XMHKJSRCNQQFAF-CYBMUJFWSA-N 267.294 3.518 30 20 CHED CC(C)n1cc2c(n1)[C@@H](Nc1ccc(C#N)cc1F)CCC2 785843465 IOSWTOYKDIZYLC-INIZCTEOSA-N 298.365 3.964 30 20 CHED CCCCCCCCCNC(=O)c1c[nH]nc1C1CC1 789738732 JWIXZFZQJVRCIN-UHFFFAOYSA-N 277.412 3.768 30 20 CHED CC(C)(C#N)CNC(=O)c1ccc2c(c1)-c1ccccc1C2 782100523 HEJPKTVPWFVRBF-UHFFFAOYSA-N 290.366 3.537 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1ccc(C(C)(C)C)cc1 1121253587 UTESSEWXCLHHLI-HNNXBMFYSA-N 272.392 3.748 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)C1(F)CCCC1 783873471 MGUHAWHFHLGQEK-UHFFFAOYSA-N 291.366 3.805 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N1CCCC2(CCCC2)C1 783851735 AZGQFBVCDRXOLG-CMDGGOBGSA-N 294.398 3.754 30 20 CHED Cc1cc(C)c(COC(=O)c2ccc(C#N)cc2)c(F)c1 785920560 JVLANGSHUSJYMI-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C#CCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784483427 HMBOHAZZFJRCNU-CYBMUJFWSA-N 267.294 3.518 30 20 CHED C=C1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 890300292 KCFOVGUHLADQRA-JKSUJKDBSA-N 273.351 3.544 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NC[C@@H](C)CCC#N 895748483 YOQVUEPNRCUFPE-DOTOQJQBSA-N 258.409 3.783 30 20 CHED CCOc1ccc(C=Nc2ccccc2CCOC)c(O)c1 786028252 SPTGUQVTDSQNPZ-UHFFFAOYSA-N 299.370 3.730 30 20 CHED CC(CCC(F)(F)F)=NNc1ccc(C(=O)O)cc1 783771159 SCTUADRQSDDFTC-UHFFFAOYSA-N 274.242 3.515 30 20 CHED C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)C(C)(C)C 796489009 IQTOSUHZMDPYPZ-JTQLQIEISA-N 278.783 3.624 30 20 CHED C[C@@H]1CSCC1=NNc1ccc(C#N)c(C(F)(F)F)c1 794905994 MVERKJYLNIPWIU-MRVPVSSYSA-N 299.321 3.728 30 20 CHED CCc1ccc2occ(C(=O)OCC3(CC#N)CC3)c2c1 797076123 ZHYXVHVXJZXSOP-UHFFFAOYSA-N 283.327 3.846 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1C#N 799345816 PTQYYGRINAQVKD-CABCVRRESA-N 292.382 3.789 30 20 CHED COc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1C#N 1202845197 SRAQZXMADFXHGI-UHFFFAOYSA-N 295.342 3.828 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1cc(F)ccc1F 794939870 UXXGHKSYDKPGAF-XQRVVYSFSA-N 276.286 3.638 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Oc1ccc(C#N)cc1OC 792864353 AXMFGERQXDOCMM-UONOGXRCSA-N 287.359 3.689 30 20 CHED C#CCN(C)Cc1csc(-c2ccc(C(C)C)cc2)n1 792306559 YBPKUGRBAXORLP-UHFFFAOYSA-N 284.428 3.999 30 20 CHED Cc1ccc(NN=C2CCC[C@H](c3ncccc3C)C2)nn1 799111455 CZFBXTQOEVEDED-AWEZNQCLSA-N 295.390 3.614 30 20 CHED COc1ccc(CCCN[C@H](C)CC(C)(C)C#N)cc1 1332384166 GLNGCNXZJIYFED-CQSZACIVSA-N 274.408 3.546 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 791205299 SKRUVHPRLNPAIJ-BBRMVZONSA-N 291.822 3.827 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2ccc(F)cc2C)[C@H]1C 794523532 IQWLIJSAVXIYNZ-RYUDHWBXSA-N 292.354 3.511 30 20 CHED COCCCON=C[C@H](C)c1ccc(C(F)(F)F)cc1 795050439 CDBNBRMWOXRZRB-NSHDSACASA-N 289.297 3.848 30 20 CHED Cc1cccc(N(C)C(=O)Nc2ccc(CC#N)cc2)c1 1309999095 RUPXMTOSHVTFBS-UHFFFAOYSA-N 279.343 3.729 30 20 CHED Cc1cc(N(C)Cc2nc3ccccc3s2)ncc1C#N 1162004346 JKJSFZZFHCVMIG-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C[C@@H]1CCC[C@H]1CNc1nc(C#N)c(Cl)s1 1163145498 PLKNQADVPALPRY-SFYZADRCSA-N 255.774 3.516 30 20 CHED CC(C)c1ccc(CNC(=O)CC#Cc2ccccc2)cc1 1319118058 HGKBOYXBIDQKAH-UHFFFAOYSA-N 291.394 3.868 30 20 CHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C)c(F)c1 1168489286 VYKXBQAKPLBLKC-JGGQBBKZSA-N 260.356 3.867 30 20 CHED CCCN(CCc1cccc(F)c1)c1cccc(CC#N)n1 1324086594 ZTBCXXDBDUZMOO-UHFFFAOYSA-N 297.377 3.746 30 20 CHED N#Cc1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 38341357 LGARLSMOTYRBOE-LJQANCHMSA-N 291.398 3.635 30 20 CHED Cc1c[nH]c2ccccc2c1=N[C@H]1CCc2cc(C#N)ccc21 1321042458 GDKSWQVFHWTKGC-IBGZPJMESA-N 299.377 3.936 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCC2)c1csc(C(=O)O)c1 1322090732 VSDPJVXYSKJHSX-FNORWQNLSA-N 298.363 3.831 30 20 CHED CC(C)C[C@H](C)OCCC(=O)OCc1ccc(C#N)s1 1327723241 YTWRVIGPZHLHJQ-LBPRGKRZSA-N 295.404 3.504 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2ccc(F)cc2C#N)CC1 517031328 LNJUATNUQZRRAW-GFCCVEGCSA-N 272.323 3.772 30 20 CHED Cc1ccc(O)c2c1[C@H](C)/C(=C\c1ccnn1C(C)C)C2=O 1321542427 LUUSIZIFZHPZGD-ZMTLZGASSA-N 296.370 3.861 30 20 CHED C[C@@H]1CCc2nc(C=NNc3cccc(C#N)c3)sc2C1 1327652616 NUGFJPRCQXPFAA-LLVKDONJSA-N 296.399 3.586 30 20 CHED C[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@@H](C)C1(F)F 599116611 AXYBYKBEOOLJSY-RKDXNWHRSA-N 286.272 3.564 30 20 CHED C=C(C)CCC(=O)N(CCC(F)(F)F)CC1CC1 1335811180 QBBGJFDGYLGHQJ-UHFFFAOYSA-N 263.303 3.534 30 20 CHED Cc1cscc1CNc1nc2c(cc1C#N)CCCC2 94878085 YNHNKKUXZWCLQV-UHFFFAOYSA-N 283.400 3.814 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1ccc(C(C)=O)cc1 1335435080 BQPZLHIZENBXCY-ZDUSSCGKSA-N 260.333 3.535 30 20 CHED CSc1ccc(C=NNCc2ccc(F)cc2)s1 1343882729 UGPYEFNORXTMRD-UHFFFAOYSA-N 280.393 3.733 30 20 CHED Cc1ccc(NN=Cc2cnc(C3CC3)o2)cc1Cl 1348412804 YTVCHQFPEUKFRK-UHFFFAOYSA-N 275.739 3.960 30 20 CHED CCN(Cc1ccccc1F)c1snc(Cl)c1C#N 1341633430 MGCIJZFCDSXEHS-UHFFFAOYSA-N 295.770 3.834 30 20 CHED N#CC[C@H](OC(=O)[C@H]1CSc2ccccc21)c1ccco1 1345548818 XYDFHYCUWSFRQT-JSGCOSHPSA-N 299.351 3.667 30 20 CHED N#C[C@H](C(=O)c1cccc(C2CCC2)c1)c1cccc(F)n1 1357651817 VMKIHZRRVCNFOS-HNNXBMFYSA-N 294.329 3.978 30 20 CHED N#Cc1cccc(N(C(=O)Cc2ccsc2)C2CCC2)c1 1350252923 UBVBGOUOYQHPBT-UHFFFAOYSA-N 296.395 3.748 30 20 CHED Cc1cccc(NC(=O)c2ccc(C#N)s2)c1Cl 1361161737 WPLPNRSJZBVRKZ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1ncccc1CSc1cccc(F)c1C#N 1459105578 YXSDKUKPGNLPTO-UHFFFAOYSA-N 258.321 3.693 30 20 CHED CCC[C@@H]1CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 1294687238 NWONVTZKZOBDCS-MSOLQXFVSA-N 298.430 3.798 30 20 CHED C=C(CNC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccccc1 1527982023 ZUWPZGBOILPCFH-JJRVBVJISA-N 271.404 3.888 30 20 CHED C[C@@]1(C(=O)Nc2ccc(C#N)c(F)c2)CCc2ccccc21 1527515365 IUKSALABXICTFV-GOSISDBHSA-N 294.329 3.540 30 20 CHED CCCCCCCCC(=O)N1[C@H](C)CCC[C@@H]1C(=O)O 1603640759 QZPVDZGQPVYTLZ-ZIAGYGMSSA-N 283.412 3.591 30 20 CHED CCC(=O)c1ccccc1NC(=O)c1ccc(C)c(C#N)c1 1531132091 CNXGHYWSGRJTHO-UHFFFAOYSA-N 292.338 3.712 30 20 CHED Cc1cccc(C)c1C(=O)Nc1cc(C#N)c(F)cc1F 1544829693 VXSDFNGQMVSMFB-UHFFFAOYSA-N 286.281 3.706 30 20 CHED COc1cc(C#N)ccc1CSc1ccc2c(c1)CCO2 1473043342 TZMHQIATWUCAAD-UHFFFAOYSA-N 297.379 3.794 30 20 CHED Cc1cc(NCCc2cc3ccccc3o2)ncc1C#N 1612010883 PAXYMVFBWLEHLS-UHFFFAOYSA-N 277.327 3.663 30 20 CHED CC1(CNc2ncc(C#N)cc2F)CCCCCC1 1472743516 MZUSRVLXPFSQAC-UHFFFAOYSA-N 261.344 3.865 30 20 CHED N#Cc1cc(N2CCCC[C@H]2c2ccc(F)cc2F)ccn1 1472727288 VKZXQBDMBZLFJG-KRWDZBQOSA-N 299.324 3.963 30 20 CHED Cc1cc(N[C@@H](C)c2cc(F)ccc2N(C)C)ncc1C#N 1559305798 XIRCZIYRZCUBSB-LBPRGKRZSA-N 298.365 3.640 30 20 CHED CC[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)C1CC1 1559238461 KKUBCXDLPIVMOX-OAHLLOKOSA-N 294.358 3.741 30 20 CHED Cc1ccc2oc(CNc3ccc(C#N)cn3)cc2c1 1642939691 DIVJFMWANAHKQH-UHFFFAOYSA-N 263.300 3.620 30 20 CHED CCc1nc(C#N)cc(N2CC[C@H](C(C)(C)C)C[C@@H]2C)n1 1651906506 HOHLXYFPBUUALU-STQMWFEESA-N 286.423 3.562 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2ccc(C#N)cc2F)CCC[C@H]1C 1584093498 ZBIBABDTMAURPJ-ZETOZRRWSA-N 275.323 3.679 30 20 CHED C=CC[C@@H]1N(C[C@@H]2CCCC[C@@H]2C(=O)O)CCCC1(C)C 1588773865 LQJBIKCAWJYIFH-JYJNAYRXSA-N 293.451 3.944 30 20 CHED C=C(CCC(=O)O)C(=O)Nc1ccc(C(C)(C)CC)cc1 1588629784 TXYLTONQPMBZNE-UHFFFAOYSA-N 289.375 3.734 30 20 CHED C=CCN(Cc1cc(C(=O)O)ccc1Cl)C(C)(C)C 1588829217 JTKLPEACKAMWAJ-UHFFFAOYSA-N 281.783 3.825 30 20 CHED CCO[C@@H]1C[C@H](Nc2nccc(C)c2C#N)C1(CC)CC 1651574623 NFSYPVWPQIWOTH-LSDHHAIUSA-N 287.407 3.657 30 20 CHED C[C@H](CCC#N)CN[C@]1(c2ccccc2)CC1(C)C 1658631943 QTWOCSIYVUIPHX-PBHICJAKSA-N 256.393 3.841 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cccc(Cl)c1F 218718085 FZSQPWGZOZMZRL-UHFFFAOYSA-N 288.753 3.983 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cccc(C#N)c2C)cc1 1669814046 BZWRWKAYJDRJRL-UHFFFAOYSA-N 279.343 3.843 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC(C)(C)C(C)C)c1 1670905563 IQJDRBRIUQYOIQ-UHFFFAOYSA-N 273.380 3.670 30 20 CHED CC(C)(NC(=O)Nc1cccc(CC#N)c1)c1ccccc1 1671983885 BVZVZIYBUQTFAC-UHFFFAOYSA-N 293.370 3.809 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)Nc2sccc2C#N)C1 1671449273 DDFWBWQNXZOBOO-ZYHUDNBSSA-N 277.393 3.710 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)c1ccc(C)cc1C 1776083722 WCHWUPOQTSYKDN-UHFFFAOYSA-N 296.370 3.767 30 20 CHED O=C(O)c1cc2ccccc2c(C=NOC2CCCC2)c1O 1776112127 NQQXIPNHMNTQJC-UHFFFAOYSA-N 299.326 3.537 30 20 CHED C=C(CNC(=O)N1CC[C@@H](CC)[C@H]1C)c1ccccc1 1681773713 AGIHMEHFEMEJNV-HUUCEWRRSA-N 272.392 3.530 30 20 CHED CCc1cccc(C=NNc2cccc(C(=O)O)c2C)c1 1776088462 NNLCHBAUAHRGDX-UHFFFAOYSA-N 282.343 3.702 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccc(C#N)cc2)n1 150938596 RUCAYXCYCZZAPH-KRWDZBQOSA-N 263.344 3.603 30 20 CHED CC[C@@H](C(=O)N[C@@H](C#N)c1ccccc1F)c1ccccc1 161450387 BVMBYDXWTCRQIG-PBHICJAKSA-N 296.345 3.700 30 20 CHED C=C(Cl)CN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 163361741 XEAITXYTYSGFTI-ZDUSSCGKSA-N 268.744 3.778 30 20 CHED Cc1ccc(-c2nc3ccccc3n2CCC#N)s1 153041672 STEILNVCTTVLAB-UHFFFAOYSA-N 267.357 3.987 30 20 CHED CCN(CCc1ccccc1)Cc1cc(C#N)cs1 153702011 QAFWONGUQKTKNN-UHFFFAOYSA-N 270.401 3.684 30 20 CHED C=CCN(C)C(=O)Nc1cccc(N2CCCCCC2)c1 157471235 LZHRKADYZUGOHN-UHFFFAOYSA-N 287.407 3.717 30 20 CHED Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(CC#N)cc1 159780559 JUCLOBKAYUAOCY-LSDHHAIUSA-N 296.395 3.865 30 20 CHED C=CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 852410108 IADYUTVNEBECME-LBPRGKRZSA-N 278.327 3.522 30 20 CHED CS[C@H]1CC[C@@H](Nc2nc3ccccc3cc2C#N)C1 226803811 YZVVDEAZYILBPW-KGLIPLIRSA-N 283.400 3.802 30 20 CHED CC(C)(C#N)CCCCOc1ccc(C#N)cc1F 232519800 SESSXPGCEYYVGQ-UHFFFAOYSA-N 260.312 3.796 30 20 CHED Cc1ccnc(NCCc2ccc(Cl)cc2)c1C#N 124884760 VUCIPAZCCKMCDA-UHFFFAOYSA-N 271.751 3.570 30 20 CHED Cc1nc(CNc2ccc(C(F)(F)F)c(C#N)c2)cs1 154044664 ZKEZRKNXINGVFL-UHFFFAOYSA-N 297.305 3.954 30 20 CHED C[C@@H](Cc1cccs1)N[C@@H](C)c1ccc(C#N)cc1 36992912 OMLLKUSQRNZXAB-STQMWFEESA-N 270.401 3.902 30 20 CHED CCCC1CCC(Nc2nnc(C)c(C)c2C#N)CC1 48755779 WKAIMJBKVPVIBY-UHFFFAOYSA-N 272.396 3.736 30 20 CHED CCC(CC)n1ccc(CNc2cccc(C#N)c2)n1 69992269 KQDAFNDLTLDYGH-UHFFFAOYSA-N 268.364 3.728 30 20 CHED CCc1nc(C#N)cc(NCC(CC)(CC)CC)n1 308176263 HHKPHYZYLHTDGK-UHFFFAOYSA-N 260.385 3.539 30 20 CHED C#C[C@H](NC(=O)[C@H](c1ccccc1)[C@H](C)CC)C(C)C 312162801 SRIGGFDZZSAWIW-PVAVHDDUSA-N 271.404 3.590 30 20 CHED C[C@H](NC1CC(C(F)(F)F)C1)c1ccc(C#N)cc1 348680905 LABIFKUGDWVSNJ-ALXWSUNGSA-N 268.282 3.550 30 20 CHED CC(C)(C)CCC(=O)Nc1ccc(Cl)c(C#N)c1 516348426 XFAKEDQBTIDEIK-UHFFFAOYSA-N 264.756 3.976 30 20 CHED N#Cc1cc(F)cc(OCCCOc2ccccc2)c1 313622460 FXAUYUJZTIOONE-UHFFFAOYSA-N 271.291 3.545 30 20 CHED CC[C@@H](O)CCCNc1ccc(C#N)c(C(F)(F)F)c1 357503973 OCDBCXZYLSRFQH-GFCCVEGCSA-N 286.297 3.540 30 20 CHED CCCCCCC[C@H](C)N[C@@H](C)c1csnn1 398223500 DENNAMZQUQALOT-RYUDHWBXSA-N 255.431 3.938 30 20 CHED C[C@H]1C[C@@H](C)CCN(Cc2cc(C#N)ccc2F)C1 443659173 SYPNIEQYNQTCPY-STQMWFEESA-N 260.356 3.565 30 20 CHED C=C(C)CN(CC)C(=O)CCCOc1ccc(C)cc1 57157983 ZAPZDEXGUCUWLP-UHFFFAOYSA-N 275.392 3.579 30 20 CHED C[C@H]1CCCCN1Cc1ccc(NC(=O)C(C)(C)C#N)cc1 55459032 QWWZMHCCMCPXBU-AWEZNQCLSA-N 299.418 3.549 30 20 CHED N#Cc1cccc(NCc2coc(-c3ccccc3)n2)c1 102680582 BVVYUGSECQVRKG-UHFFFAOYSA-N 275.311 3.825 30 20 CHED CC(C)Cn1c(SCCCC#N)nnc1-c1ccco1 58023186 XJCLCHITBNQYKD-UHFFFAOYSA-N 290.392 3.590 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(OCCF)c1 179684759 HJOMFQCBTGTYED-CYBMUJFWSA-N 294.370 3.901 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2cc(Cl)ccc2[nH]1 116863087 CUQRYMLBJXYARR-VIFPVBQESA-N 262.740 3.516 30 20 CHED N#C[C@@H](Sc1ncn(-c2ccccc2)n1)C1CCCCC1 115186986 KFWZJJHATIRNPF-OAHLLOKOSA-N 298.415 3.832 30 20 CHED C=CCCCC(=O)N[C@@H](C)Cc1nc2ccccc2s1 175467602 WCWBLEXTPAGNEP-LBPRGKRZSA-N 288.416 3.700 30 20 CHED CCc1nc([C@@H](C)/N=C/c2cccc(OC)c2O)cs1 110129766 MCMWUJORRAIJCD-LYQMGENXSA-N 290.388 3.600 30 20 CHED CCCCNC(=O)c1ccccc1-c1ccccc1C#N 27799415 FPCGXOVHWKOFKM-UHFFFAOYSA-N 278.355 3.755 30 20 CHED CCO[C@@H](CCNCC(C)(C)CCC#N)C1CCCC1 177583608 WDMYRXRIVVPNRX-INIZCTEOSA-N 280.456 3.891 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)[C@@H](C)CC 303018214 OFUPONXNQAUVHO-UONOGXRCSA-N 292.398 3.958 30 20 CHED C=CCCCC(=O)Nc1cc(OCC)ccc1OCC 177489275 XTXHHGCWSQBHIJ-UHFFFAOYSA-N 277.364 3.779 30 20 CHED Cc1cc(C(=O)N(C)c2cccc(C#N)c2)c(C)n1C(C)C 63830894 UDQGLPUQQCMOLP-UHFFFAOYSA-N 295.386 3.834 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 25325878 IBCWWHVBIHMOFG-KRWDZBQOSA-N 294.329 3.675 30 20 CHED C=CCN(Cc1ccc(COC)o1)Cc1cccs1 119927848 WLOXFCBDUHCUIJ-UHFFFAOYSA-N 277.389 3.676 30 20 CHED Cc1ccc(CNc2ccc(Cl)c(C#N)n2)c(C)c1 301178591 NXMYGAJQAXOYBZ-UHFFFAOYSA-N 271.751 3.836 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 175433427 CCQHTGIYZHZKPE-DZKIICNBSA-N 272.392 3.539 30 20 CHED CCCCC/N=C(/N)Nc1ccc(OC(F)(F)F)cc1 303714951 RRFPHBGPHMTHEI-UHFFFAOYSA-N 289.301 3.502 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1OC(C)(C)C 115299207 IJKQKNLSPKESBZ-ZDUSSCGKSA-N 291.391 3.784 30 20 CHED C=CC1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 110367855 KGHBNKQBGULRGS-UHFFFAOYSA-N 285.387 3.514 30 20 CHED CCOCc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1 301566045 JQCLIPSRHPAHRC-UHFFFAOYSA-N 287.750 3.887 30 20 CHED N#Cc1ccc(NCCc2nc3c(s2)CCCC3)cc1 123379841 MTEOCNGFNJGWPM-UHFFFAOYSA-N 283.400 3.548 30 20 CHED C=CCN(CC=C)C(=O)CNc1cccc(Cl)c1Cl 66215234 XZJKVXOAZSEDRA-UHFFFAOYSA-N 299.201 3.606 30 20 CHED C[C@H](NC[C@H]1C[C@H]2C=C[C@H]1CC2)c1ccc(OCC#N)cc1 402823793 XNYHKRKFPOZBQW-UOVPBQLFSA-N 296.414 3.842 30 20 CHED C=C(CC)CN1CCC[C@@H]1c1ccc(OC)c(OC)c1 358631411 AYOPSECVPNMIPZ-OAHLLOKOSA-N 275.392 3.807 30 20 CHED C=C(CC)CN(C)[C@H]1CCCc2nc(C)sc21 358620874 PTTMCHYOUDVEOB-ZDUSSCGKSA-N 250.411 3.727 30 20 CHED Cc1nc(C)c(CCN[C@H](C)c2cccc(C#N)c2)s1 181727473 RPYJVXMURUIPLI-LLVKDONJSA-N 285.416 3.525 30 20 CHED C[C@@H](NC(=O)CC1CCCCC1)c1cccc(C#N)c1 75275543 PKSSVSFTPYJLKU-CYBMUJFWSA-N 270.376 3.706 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1ccc(Cl)cc1 79293679 XCPKBRQNWRMUAG-LBPRGKRZSA-N 281.783 3.500 30 20 CHED C[C@@H](NCC[C@@](C)(O)c1ccccc1)c1cccc(C#N)c1 187893408 LWWCVSPYSGOKLN-DNVCBOLYSA-N 294.398 3.507 30 20 CHED CN(C(=O)Cc1cccc(C2CC2)c1)c1ccc(C#N)cc1 415224743 BGTAWYFHICPOHK-UHFFFAOYSA-N 290.366 3.641 30 20 CHED CC1(C(=O)N[C@@H](C#N)c2ccccc2Cl)CCCC1 505693699 HMXSDUMFXJBORJ-ZDUSSCGKSA-N 276.767 3.601 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 410834022 JARNBAXHGWZAIV-SWLSCSKDSA-N 292.810 3.669 30 20 CHED N#Cc1cc2ccccc2nc1NCc1ccccc1 70217988 NMCCTOJQKKACAX-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C[C@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1 489798163 DHEBCFQABMGPJI-TVQRCGJNSA-N 268.282 3.550 30 20 CHED Cc1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)oc1C 156691009 KRIZSBQGYFTQAG-UHFFFAOYSA-N 274.707 3.674 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@](C)(C=C)CC 413979180 AQIBASIJHPCUCO-WMZOPIPTSA-N 271.404 3.892 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCCC(F)(F)C2)cc1 491573066 QMJLETLVSWPVML-OAHLLOKOSA-N 278.346 3.863 30 20 CHED C=C(C)CNC(=O)c1oc2ccc(Cl)cc2c1C 122944894 UFAZAIMGSPACML-UHFFFAOYSA-N 263.724 3.701 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1cncc2ccccc12 410121841 ASDFTUMXLGWFAY-MRXNPFEDSA-N 282.387 3.638 30 20 CHED COc1ccccc1CN(C)[C@H](C)c1cccc(C#N)c1 189346491 JKYWDMXRAMRZOB-CQSZACIVSA-N 280.371 3.760 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC(CC)CC1 508733470 MYJGPPLFTOLVOV-UHFFFAOYSA-N 296.418 3.758 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](C#N)c1ccccc1Cl 410639116 FVAIMTZOPYBMHJ-CYBMUJFWSA-N 276.767 3.623 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1 71867995 SMWKXGRJTYHFJV-UHFFFAOYSA-N 296.345 3.748 30 20 CHED C=CCOc1cccc(NC(=O)CCC(F)(F)F)c1 79726417 AAYUYJZHODAZHB-UHFFFAOYSA-N 273.254 3.532 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(C(C)C)no2)C(C)C)c1 70846991 KRDFONRWYXWORU-UHFFFAOYSA-N 296.370 3.835 30 20 CHED CC(C)CC1(C(=O)Nc2ccc(C#N)c(C#N)c2)CCCC1 317867161 WGIQZPRGKRJJJB-UHFFFAOYSA-N 295.386 3.975 30 20 CHED C=CCCC(=O)Nc1ccc(Br)cc1C(C)=O 185054281 JWZZNKGZCNJKMA-UHFFFAOYSA-N 296.164 3.556 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1ccc(SC)cc1 79530561 OQUJUCKEVNQDKR-CYBMUJFWSA-N 293.432 3.569 30 20 CHED C[C@H]1CCC[C@@H](NCCSCc2ccccc2C#N)C1 508312050 AXBJEEFIPXDPFA-WMLDXEAASA-N 288.460 3.960 30 20 CHED Cc1ccccc1[S@@](=O)CCC1(C#N)CCCCC1 414230819 GSSRAOLNXDXPGB-IBGZPJMESA-N 275.417 3.967 30 20 CHED CC#CCCCC(=O)N1c2ccccc2SC[C@@H]1C 185985572 OJUKQXZEYHJUAY-ZDUSSCGKSA-N 273.401 3.707 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc(CC)cc2)no1 188033025 RVGIOFSHEZEVOQ-KRWDZBQOSA-N 286.375 3.779 30 20 CHED CN(CCCOc1ccccc1)Cc1ccc(C#N)cc1F 48057377 UMDIZSARHUBXJQ-UHFFFAOYSA-N 298.361 3.598 30 20 CHED C=Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1 185279151 XMIBSNXGDCTETN-CXAGYDPISA-N 268.360 3.532 30 20 CHED CCN(CCOC1CCC1)[C@@H](C)c1ccc(C#N)cc1 287364438 PVRKXWULLAFJTE-AWEZNQCLSA-N 272.392 3.510 30 20 CHED C=C(C)CN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 183064894 PBXXOXJVZIREQJ-UHFFFAOYSA-N 282.387 3.695 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCc1cccc(F)c1 45592750 RBJSFSFIVLDHEH-UHFFFAOYSA-N 298.361 3.724 30 20 CHED Cc1ccc(/C=C/c2nc(S[C@@H](C)CCC#N)n[nH]2)o1 412985743 GGPVZNBDTYZNLD-AEZGRPFRSA-N 288.376 3.661 30 20 CHED Cc1ccc(C)c(S(=O)(=O)/N=C(\O)C2CCCCC2)c1 46929210 QYLNWYCPVNJDFP-UHFFFAOYSA-N 295.404 3.529 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C(CC)CC 193090649 SCKIOMZMELDULT-UHFFFAOYSA-N 273.380 3.755 30 20 CHED CC1(C)Oc2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2O1 193158368 KOUYDHJMTBFTGG-NEPJUHHUSA-N 272.348 3.688 30 20 CHED C=CCN(CC1CCCCC1)C(=O)Cc1ccc(O)cc1 133761490 RLDAAWVFXCTBBZ-UHFFFAOYSA-N 287.403 3.530 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H](C#N)C1 414311950 ZDRQQRYLGDWREV-KURKYZTESA-N 268.404 3.846 30 20 CHED C[C@@H]1CCCC[C@@H]1OCC(O)=Nc1cccc2c1OCO2 329327246 XCOKBTZFEILHDY-YPMHNXCESA-N 291.347 3.599 30 20 CHED C=CCSCCNC(=O)Nc1c(C)cccc1Cl 132908725 XBJOAUYTJZVVQU-UHFFFAOYSA-N 284.812 3.689 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1ccc(OC(F)F)cc1 192317121 COIPHXKHUINOQB-NSHDSACASA-N 282.286 3.696 30 20 CHED O=C(/C=C/c1cnc2ccccn12)c1cc2ccccc2o1 133160543 OQROGDFCNCJFRT-CMDGGOBGSA-N 288.306 3.977 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc2[nH]ccc12 81803338 APJIXYZIVCVAKQ-UHFFFAOYSA-N 270.376 3.986 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc3c(c2)CCC=C3)C1 329652064 KZIFUOYDJOSQNP-AUUYWEPGSA-N 294.398 3.848 30 20 CHED N#Cc1ccnc(NC[C@H]2CCCCC(F)(F)C2)c1 291910081 QQJYLSRDNAONQX-LBPRGKRZSA-N 265.307 3.581 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2cc(F)c(F)cc2F)c1 130005802 QISYXXAJMPREIV-SNAWJCMRSA-N 287.240 3.872 30 20 CHED CC(C)C[C@H](NC(=O)N(C)C[C@@H](C)C#N)c1ccccc1 43716079 JSUSJIAKAIOJFK-HOCLYGCPSA-N 287.407 3.575 30 20 CHED N#Cc1csc(C(=O)N2CCC=Cc3ccccc32)c1 190102853 PBJJWZLOGSSGFH-UHFFFAOYSA-N 280.352 3.683 30 20 CHED Cc1c([C@H](NC(=O)NCCC#N)C(C)C)oc2ccccc12 426435154 BJGKALLRBMUHJJ-OAHLLOKOSA-N 299.374 3.651 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCC(F)(F)F 427746358 FUKZPZSWZPPATP-JQWIXIFHSA-N 265.319 3.826 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccoc1Cl 192259874 XMCWOOWTXHXTTO-UHFFFAOYSA-N 281.764 3.823 30 20 CHED Cc1ccc([C@H]2C[C@H]2C(=O)Nc2ccccc2CC#N)cc1 425581236 KMCYLAKLHICYGH-IAGOWNOFSA-N 290.366 3.803 30 20 CHED C=C(C)CN(C)C/C(C)=C/c1ccccc1COC 512212193 KISZKWZERZZBCJ-XNTDXEJSSA-N 259.393 3.744 30 20 CHED C[C@@H](CCC#N)Sc1ccc([N+](=O)[O-])cc1F 193510927 QFHCGOIPTXXRJO-QMMMGPOBSA-N 254.286 3.518 30 20 CHED C#CCCCC(=O)O[C@@H](CC)c1ccc(F)cc1F 190549236 UVSFELGTGBKAKT-AWEZNQCLSA-N 266.287 3.763 30 20 CHED C=CC[C@@H](CC)NC(=O)CCc1cccc(OC(F)F)c1 424847292 YIWNVWJPWNLGNV-CYBMUJFWSA-N 297.345 3.692 30 20 CHED C=CCOCC(=O)N(CC(C)C)[C@H](CC)c1ccccc1 518395472 KNBUSQIBBPKQOX-QGZVFWFLSA-N 289.419 3.825 30 20 CHED CCC(CC)/N=C(/O)Nc1cnn([C@H](C)CC)c1C 331113796 JMHKRRFQTHHAQM-SNVBAGLBSA-N 266.389 3.677 30 20 CHED Cc1cc2occ(C(=O)N3CCC(CC#N)CC3)c2cc1C 334771813 UKLOAODETJAZOJ-UHFFFAOYSA-N 296.370 3.816 30 20 CHED CCCCCOc1ccc(CN(C)[C@H](C)CC#N)cc1 513730306 XVZUJADTPVWGJP-OAHLLOKOSA-N 274.408 3.990 30 20 CHED COc1cc(CN(Cc2cccs2)C2CC2)ccc1C#N 234991334 ISMPEOSFXGMAST-UHFFFAOYSA-N 298.411 3.793 30 20 CHED CCCc1nc(/C(O)=N/[C@@H]2CCCC[C@H]2SCC)co1 330403573 GUNFULDPJIGZDG-DGCLKSJQSA-N 296.436 3.996 30 20 CHED COC(=O)c1cccc(/C=C2\CCc3ccccc3C2=O)c1 147664915 QDVQAZOPMKAXRK-RVDMUPIBSA-N 292.334 3.686 30 20 CHED CC1(CC(=O)N2CCCC(C)(C)[C@@H]2C#N)CCCCC1 434034615 DPHDJUVSKCIXMB-AWEZNQCLSA-N 276.424 3.888 30 20 CHED CC#CCN(C)C(=O)C/C=C/c1ccc(C(C)C)cc1 517425088 HREKLYHNVDKEBP-BQYQJAHWSA-N 269.388 3.695 30 20 CHED Cc1ccc(-c2cncc(F)c2)cc1NC(=O)C(C)(C)C#N 334418040 YKELKCPJUKGGLY-UHFFFAOYSA-N 297.333 3.684 30 20 CHED CC(C)[C@@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 94593249 JCMSQJRPSRVSGW-CYBMUJFWSA-N 287.363 3.729 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 430991861 RDUUDPOSUBRHRJ-JEBQAFNWSA-N 294.398 3.960 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 524870943 BMTWPMMNLRJIPF-GDBMZVCRSA-N 259.393 3.897 30 20 CHED CCCC[C@H](COC)N[C@H](CCC#N)c1ccccc1 90665300 WHINXKKRHNSEEF-IAGOWNOFSA-N 274.408 3.826 30 20 CHED N#CC[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 341695058 BKQBBIMSLZEILS-BQFCYCMXSA-N 296.414 3.723 30 20 CHED CC(C)CNC(=O)c1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 437129300 ZATHJIVERODTQT-YOEHRIQHSA-N 299.418 3.567 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@H]2CC[C@H]1C2 341686803 GNJNHIMKCWCMCS-FRJURHEUSA-N 266.388 3.714 30 20 CHED COC(=O)[C@H](Sc1cccc(C#N)c1)c1ccsc1 347783212 ZIVLAAUPZDZKDN-CYBMUJFWSA-N 289.381 3.626 30 20 CHED Cc1ccc(Cn2nc(C#N)c3ccccc32)c(Cl)c1 432495605 IFPXJCCMCQCPLM-UHFFFAOYSA-N 281.746 3.918 30 20 CHED CC(C)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 435802934 ZKJYEMKZQSXQHM-YOEHRIQHSA-N 299.418 3.697 30 20 CHED CC(C)(CCC#N)CNCc1cccc2[nH]ccc12 342282486 GQOIXQKKSGMRQS-UHFFFAOYSA-N 255.365 3.587 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)s2)[C@H]2CCCC[C@@H]12 248373841 LUXVKGULQYXMPH-UGFHNGPFSA-N 260.406 3.630 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C1 246198364 NHABIDOMMALLGC-QSJFSLAZSA-N 286.419 3.892 30 20 CHED C=CCOCC(=O)N1CCCCC[C@H]1c1cccc(C)c1 522732455 LQSULXFCLHJAMG-KRWDZBQOSA-N 287.403 3.641 30 20 CHED CC(C)(CCC#N)CNC(=O)CCCc1cccs1 345899424 FSTLBIDIVMQEED-UHFFFAOYSA-N 278.421 3.517 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc2[nH]ccc12 432870736 DQUNFCRRKABJEW-UHFFFAOYSA-N 271.364 3.892 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C[C@H](C)CCC#N 602476566 XPWIYDOXSPRSSI-VYDXJSESSA-N 256.393 3.804 30 20 CHED N#CC1(F)CCN(c2ccnc3cc(Cl)ccc23)CC1 343252577 SBWWVEBDCNHCNY-UHFFFAOYSA-N 289.741 3.720 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N[C@@H](C#N)CC(C)C 609627356 CFMZFINLSBUSTL-HUUCEWRRSA-N 264.413 3.647 30 20 CHED N#Cc1ccc(/C=C/C=C\c2ccc(F)cc2)nc1 439149828 ASSDOQXJTZMXAK-HSFFGMMNSA-N 250.276 3.819 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 602290057 GQMOYGQKYHVRFE-JDFRZJQESA-N 268.360 3.632 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1nncc2ccccc12 600875122 NCVWKHKDOCVPDS-OAHLLOKOSA-N 291.379 3.857 30 20 CHED CC(C)N(Cc1ccco1)Cc1ccccc1C#N 299400373 VMUUDMOORDDLKV-UHFFFAOYSA-N 254.333 3.562 30 20 CHED CCc1ccc(CSc2nc(C)nc(C)c2C#N)cc1 343474829 LTFYSJQTPPDBGY-UHFFFAOYSA-N 283.400 3.820 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC1(C)CC1 345761158 STPWZBLQQSIQCR-UHFFFAOYSA-N 284.403 3.733 30 20 CHED COc1ccc(-c2cccc(CNC(C)C)c2)cc1C#N 600789505 RNWANOINCSAEAY-UHFFFAOYSA-N 280.371 3.732 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)c1ncccc1C#N 340770093 CTCXBTVJOIZNEJ-MRXNPFEDSA-N 281.359 3.549 30 20 CHED CC[C@H](C)Oc1cccc(NCc2cccc(C#N)n2)c1 602487454 NEHIKIHOCIDCQK-ZDUSSCGKSA-N 281.359 3.743 30 20 CHED CC(C)c1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)s1 341629436 YGILHOIEFVVSDD-UHFFFAOYSA-N 288.416 3.922 30 20 CHED N#CCc1ccc(CNc2ccc(-n3cccn3)cc2)cc1 342429648 BUSJDMLMAYKYGC-UHFFFAOYSA-N 288.354 3.550 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2oc(C)nc2c1 348418975 HSJPWOXTAVIBFO-LLVKDONJSA-N 272.348 3.611 30 20 CHED C[C@@H]1CCCC[C@@H]1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N 448270204 DFGNOBAGIFJQDI-BDXSIMOUSA-N 290.451 3.740 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2ccc(F)cc2)CCCC1 522644815 MMQTXEYMYHUJRA-CYBMUJFWSA-N 275.367 3.718 30 20 CHED CCCCN(C)CCNc1ccc(C#N)cc1C(F)(F)F 609964236 ZKQVVMBAJKEJMN-UHFFFAOYSA-N 299.340 3.721 30 20 CHED C=CCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1CC 448391074 SQERMSMYVJOPKW-KBPBESRZSA-N 252.402 3.563 30 20 CHED CC[C@@H](CCc1ccccc1)NC(=O)CCCCCC#N 600253921 XQRPSKZWBWXAQD-KRWDZBQOSA-N 286.419 3.988 30 20 CHED Oc1ccc(Cl)cc1C=Nc1ccc2c(c1)OCCO2 252589146 AHINMAVDDOJLGK-UHFFFAOYSA-N 289.718 3.567 30 20 CHED C[C@H](c1ccccc1)N(C(=O)CCCC#N)c1ccccn1 602420189 VGXOHLFADZGEMO-OAHLLOKOSA-N 293.370 3.870 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)CNc1ccccc1 539468775 YGRNIAVYWCUFEC-HUUCEWRRSA-N 289.423 3.531 30 20 CHED CCc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1C 538796099 OUNGRXSMXUALEP-UHFFFAOYSA-N 278.355 3.876 30 20 CHED CC(C)[C@@H](NCCCC#N)c1cc(F)ccc1F 358984882 LMXOIFNQBPVOKJ-CQSZACIVSA-N 252.308 3.555 30 20 CHED N#CC[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 353342049 GIBOQNLIEZLVMA-INIZCTEOSA-N 296.345 3.529 30 20 CHED C=CC1CCN(Cc2cc(F)c(F)c(F)c2)CC1 536673127 SXQANJGGSBBJRX-UHFFFAOYSA-N 255.283 3.502 30 20 CHED CCCCOc1ccc(OC)cc1N[C@@H]1CC[C@H](C#N)C1 442877096 QWMNLJDXYAEJLV-UONOGXRCSA-N 288.391 3.978 30 20 CHED C=CCC[C@H](NCc1cccc(NC(=O)CC)c1)C1CC1 533039868 AHHHYTXHVZHYFO-KRWDZBQOSA-N 286.419 3.870 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(OC)cc1 265349330 DQGRTYMHMVHVBI-CJNGLKHVSA-N 288.391 3.506 30 20 CHED FC(F)(F)COc1cccc(CON=C2CCC2)c1 265493541 WIAZSALXADRSHK-UHFFFAOYSA-N 273.254 3.684 30 20 CHED N#CCCCSCc1ccc(OCC(F)(F)F)nc1 359071497 KZLZUJZZNWNPKN-UHFFFAOYSA-N 290.310 3.560 30 20 CHED N#Cc1ncccc1NCC1(c2ccc(Cl)cc2)CC1 357268761 YHCOCLIFDZJUQB-UHFFFAOYSA-N 283.762 3.750 30 20 CHED CCC[C@@H](C)NC(=O)c1cn(CCCC#N)c2ccccc12 618177205 SYQGZWYGCHPGRZ-CQSZACIVSA-N 297.402 3.863 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H]1Cc1ccccc1 442672916 JUQLFCDOAUEYAP-DNVCBOLYSA-N 276.383 3.936 30 20 CHED CCCCN1CCc2ccc(N[C@H]3CC[C@@H](C#N)C3)cc21 442833290 BRTXXRICQNTRIV-ZBFHGGJFSA-N 283.419 3.953 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CCc1ccccc1Cl 535326945 UBMHKJWRZLUFEF-INIZCTEOSA-N 292.810 3.717 30 20 CHED CC(C)O[C@@H]1C[C@H](Nc2ncc(C#N)cc2Cl)C1(C)C 361624286 YKZMUAZHRXMOGD-QWHCGFSZSA-N 293.798 3.611 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)c1ccc(OC)cc1 452774320 KYESGSMEWQCHEW-ZDUSSCGKSA-N 275.392 3.517 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(C)Cc1cccs1 549262276 KMEHBUVUXYRERO-UHFFFAOYSA-N 290.436 3.676 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 452541592 MAVPQPVOSHVVMQ-CABCVRRESA-N 284.403 3.913 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCO[C@@H]2C(=C)C)CCCCC1 451391875 JOGSGPAPLFWFNP-HZPDHXFCSA-N 291.435 3.610 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(CCc3ccc(O)cc3)CC2)C1 549367137 ZXQRCVKFDSBQHR-QZTJIDSGSA-N 298.430 3.729 30 20 CHED COc1ccsc1[C@@H](C)NCc1ccc(C#N)c(F)c1 453388722 QWLVSGLRFLIPNP-SNVBAGLBSA-N 290.363 3.618 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ncc(Cl)cc2Cl)C1 612166598 VWRNEAQXCARXAA-ZDUSSCGKSA-N 284.190 3.514 30 20 CHED C=C(C)C[C@H](C)C(=O)N1CCC[C@H](Oc2ccccc2)C1 364070255 CDQSSRIRNKLJMP-RDJZCZTQSA-N 287.403 3.659 30 20 CHED C=CCC(CC=C)c1nc(CC2CC(F)(F)C2)no1 453315003 GGKRXBWGPZJOML-UHFFFAOYSA-N 268.307 3.893 30 20 CHED C=CCC[C@H](CO)N[C@H](CC)c1cc(Cl)ccc1OC 453376401 XBNJABSWDRUFPF-UKRRQHHQSA-N 297.826 3.716 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](CC)CNc1ccccc1 452466645 ZYSIWZZTHVKHTI-MRXNPFEDSA-N 286.419 3.762 30 20 CHED CC(C)(CC#N)CNC1CCC(c2ccc(O)cc2)CC1 459725479 COWDVISGKSDIQX-UHFFFAOYSA-N 286.419 3.948 30 20 CHED C[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(C#N)c(F)c1 271980379 WRUYNYCZPSWTEZ-OLZOCXBDSA-N 298.361 3.685 30 20 CHED CCc1cccnc1[C@H](C)NCc1ccc(C#N)c(F)c1 453386720 PBBVJPMBGGZWIA-LBPRGKRZSA-N 283.350 3.506 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Nc1cccc(OCC#N)c1 273273257 HZKCFLATGZAZGR-CYBMUJFWSA-N 288.391 3.990 30 20 CHED Cc1noc(C)c1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 363285370 JIVBLGMOPBKEGL-AEFFLSMTSA-N 295.386 3.563 30 20 CHED C=CCC(CC=C)C(=O)N1CC(Cc2ccsc2)C1 622255617 LAADBFIMUMSTTJ-UHFFFAOYSA-N 275.417 3.517 30 20 CHED N#Cc1cccc(SCC(=O)CC[C@H]2CCCCO2)c1 450858465 LDOWMCGBRWUQBL-OAHLLOKOSA-N 289.400 3.569 30 20 CHED C=CCOc1cccc(CN2CCCC(F)(F)CC2)c1 628421831 ACECVMQWCPHUHH-UHFFFAOYSA-N 281.346 3.873 30 20 CHED CC#CCCCC(=O)N(Cc1ccc(F)cc1)C(C)C 274268453 GCPUCKREWARFBT-UHFFFAOYSA-N 275.367 3.756 30 20 CHED Cc1cc(N(C)C)ccc1N[C@@H]1CCC[C@@H](C#N)C1 274213901 OGEJSRAOABCDNJ-ZIAGYGMSSA-N 257.381 3.555 30 20 CHED C=CCCCNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 468373351 RFPLKWVXMGGYCO-XDQVBPFNSA-N 273.376 3.589 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCC#N 273142451 VWXQZNKWYJCMAB-IAGOWNOFSA-N 299.418 3.658 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@H](c2cccc(F)c2)C1 468854308 GDCKWELZXDLHIB-HNNXBMFYSA-N 298.336 3.826 30 20 CHED C=CCC[C@H](C(=O)Nc1cncc(F)c1)c1ccccc1 466459994 HFKQNFHBLWBZFK-INIZCTEOSA-N 284.334 3.909 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2occc2c1 626915830 YARBOKJUZSHVRO-LBPRGKRZSA-N 258.321 3.909 30 20 CHED C=CCN(CC/C=C/CC)Cc1cccc(C#N)c1 466836142 DVQFZVUIQJDXKY-AATRIKPKSA-N 254.377 3.903 30 20 CHED CO[C@@]1(C)CCCN([C@H](C)c2cccc(C#N)c2)CC1 280588952 UEFMUFBPSBCYTC-PBHICJAKSA-N 272.392 3.510 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H]2C[C@H]2c2ccco2)s1 371469123 NYKWMXJOSDBQRJ-VXGBXAGGSA-N 286.356 3.517 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCC[C@@H]1C(C)C 460565633 ZWMQYOWEYGFZNZ-OAHLLOKOSA-N 290.455 3.822 30 20 CHED CC(C)[C@H](C#N)NC(=O)C(C)(C)CCCc1ccccc1 464309913 IUTJIRNRAYKHEF-INIZCTEOSA-N 286.419 3.700 30 20 CHED CC[C@H](Nc1ccc(C#N)cn1)c1ccc(OC)c(OC)c1 286228725 DLIIUQSJPNDBDE-AWEZNQCLSA-N 297.358 3.534 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccc(CC)cc1 472837920 UKYIZELRWQZSCP-UHFFFAOYSA-N 274.408 3.747 30 20 CHED CC(C)(CCC#N)CNC(=O)CC1CCCCCC1 553750786 GLDOBVMOXYCFFV-UHFFFAOYSA-N 264.413 3.793 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(OC)c(C)c(OC)c1 554438617 HMADWSPVAGOYFG-MRXNPFEDSA-N 277.364 3.553 30 20 CHED C=CCC[C@H](O)CN1C[C@H](C)C[C@@H]1c1ccccc1F 472582158 PPLLBRVUFHQDBR-JKIFEVAISA-N 277.383 3.536 30 20 CHED C=CCCCSc1nc2cc(F)c(F)cc2[nH]1 558178641 RIYODZWYUDPJKN-UHFFFAOYSA-N 254.305 3.899 30 20 CHED N#C[C@@H]1CC[C@H](N2CC[C@H]2c2ccc(Cl)cc2)C1 292861854 RQFFYQCDCJWHKY-UGFHNGPFSA-N 260.768 3.779 30 20 CHED C=C(C)[C@@H](NC(=O)[C@H]1CC1(C)C)c1ccc(F)c(F)c1 475661596 NZSPESQBRCNJOM-BXUZGUMPSA-N 279.330 3.744 30 20 CHED C=CCCc1noc(Cc2c(C)[nH]c3ccccc23)n1 297425177 UYGGIRCOFKAHPZ-UHFFFAOYSA-N 267.332 3.569 30 20 CHED CC1(C)CC[C@@H](CNC[C@@H](C#N)CCC#N)c2ccccc21 560597557 IHUUNSMGOSPIHK-CVEARBPZSA-N 295.430 3.875 30 20 CHED c1cnc(C2CCC2)c(NN=C2C3CC4CC(C3)CC2C4)n1 807994536 UOFDNXXYQGVQCI-UHFFFAOYSA-N 296.418 3.968 30 20 CHED C=CCC[C@H](NC[C@H](C)N1CCC(C)CC1)c1ccco1 569754104 FIDJKVBQYNALHV-IRXDYDNUSA-N 290.451 3.997 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(-c2ccccn2)s1 293612000 JZXOXRPPHPEDJR-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=C[C@H](CC(=O)N[C@H]1CCC[C@H](F)C1)c1ccccc1 564728815 FUJBJTKFXUPILU-KBMXLJTQSA-N 275.367 3.743 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C#Cc2ccccc2)C1 804779407 BUYATFKJFUFDED-VQIMIIECSA-N 289.378 3.648 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N1CCc2cc(C#N)ccc21 561064912 OTVXFSFDSACKFD-DZGCQCFKSA-N 282.387 3.664 30 20 CHED C=CCC1(C(=O)N=c2cc(-c3cccs3)o[nH]2)CCC1 649237271 QHZFQWLJZGDCFK-UHFFFAOYSA-N 288.372 3.510 30 20 CHED CCc1cc(Cl)c(Cl)cc1OCCO[C@H](C)C#N 802734026 HVOWQPZPJACBLP-SECBINFHSA-N 288.174 3.863 30 20 CHED N#Cc1ccc(CC(=O)N2CCC[C@@H]2c2ccsc2)cc1 299557768 SKLJVTDQHQLEKD-MRXNPFEDSA-N 296.395 3.526 30 20 CHED N#Cc1ccc(CNC2CC(c3cccc(F)c3)C2)s1 561484371 REAVFMKMRRDGOW-UHFFFAOYSA-N 286.375 3.795 30 20 CHED C=CCOCCCC(=O)N(C(C)C)[C@H](C)c1ccccc1 297888538 PJKHSGDRPQYBQE-MRXNPFEDSA-N 289.419 3.967 30 20 CHED C=CCCCCOC(=O)c1cc(C)n([C@H](C)C2CC2)n1 811012352 ILJJLJWHRUCLFW-CYBMUJFWSA-N 276.380 3.676 30 20 CHED C#C[C@H](N[C@H]1CC[C@@H]1C1CC1)c1ccc(Cl)cc1 811517609 XLUFSVMEODUHTB-PMPSAXMXSA-N 259.780 3.793 30 20 CHED CC(C)(C(=O)COc1cc(F)cc(C#N)c1)c1ccccc1 565816525 OOWPBLPIPPPBKA-UHFFFAOYSA-N 297.329 3.623 30 20 CHED CCCNN=Cc1cnn(C2CCCC2)c1-c1ccccc1 817323220 KXSRTISSVCCWDS-UHFFFAOYSA-N 296.418 3.999 30 20 CHED Cc1ccc2ncc(C#N)c(O[C@H]3C=CCCC3)c2c1 488269620 YTYYRWNWFMOSLA-AWEZNQCLSA-N 264.328 3.902 30 20 CHED C=CCN(C(=O)c1cccc(CN(C)C)c1)c1ccccc1 647741691 CRQKATFCTWGQCC-UHFFFAOYSA-N 294.398 3.581 30 20 CHED C#Cc1ccccc1CC(=O)N([C@@H](C)CC)[C@@H](C)CC 813151081 VWKLRCLLDVTGGB-GJZGRUSLSA-N 271.404 3.636 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(Cl)cc(OC)c2)c1 815377837 JHFWMAPXUJDVNH-UHFFFAOYSA-N 299.757 3.607 30 20 CHED C[C@H](OC(=O)[C@H]1CCCCCC(=O)C1)c1cccc(C#N)c1 811383806 MJWCHLYHNNLMCL-BBRMVZONSA-N 299.370 3.702 30 20 CHED Cc1ccc(CCC(=O)OCc2cccc(C#N)c2)s1 810577132 VODZPQPHTXDRNC-UHFFFAOYSA-N 285.368 3.604 30 20 CHED COc1cccc2cc(C=NOC/C=C\Cl)oc12 811668065 ANOLPHSTGHWDDV-QKDPKPEMSA-N 265.696 3.544 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cncc(-c2ccccc2)c1 488814154 IZTQIELFUYGWKX-GOSISDBHSA-N 292.382 3.929 30 20 CHED C[C@H](C=NNc1ccc(Cl)nn1)C1CCCCC1 814697854 FSVAHLVIPZBVJM-SNVBAGLBSA-N 266.776 3.744 30 20 CHED CC1(C)CCN(Cc2ccc(Cl)cc2C#N)CC1 480775368 AOWDXYVWYDTNCI-UHFFFAOYSA-N 262.784 3.834 30 20 CHED N#Cc1ccc(F)c(CNCc2cccc(C3CC3)c2)c1 817409029 WNOUXHYEOPLPNN-UHFFFAOYSA-N 280.346 3.865 30 20 CHED CCOc1cccc(C(C)=NN[C@H](C)c2ccncc2)c1 819814814 FKZCINPKKWWLBN-CYBMUJFWSA-N 283.375 3.555 30 20 CHED C=C(C)[C@H](N[C@@H](C)[C@H](C)OC)c1ccc(F)c(F)c1 480666921 QJGSHMLGKYJJGF-PGUXBMHVSA-N 269.335 3.595 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C)cc1C 488377999 IJXQOAUIOVIYOA-UHFFFAOYSA-N 254.333 3.543 30 20 CHED CC[C@@H](C=NNc1cc(C)nc(C)n1)c1ccccc1 814807193 JWTDNZQXHFKSJB-AWEZNQCLSA-N 268.364 3.685 30 20 CHED Cc1c(C#N)cccc1NCc1cc(Cl)c(F)cc1O 816565633 WHHXNYUPTIJGAD-UHFFFAOYSA-N 290.725 3.977 30 20 CHED C=CCCCCOC(=O)Cc1csc(C(C)(C)C)n1 811012215 BSPDKPYRTQMEBX-UHFFFAOYSA-N 281.421 3.883 30 20 CHED C(=NNc1cnccn1)c1ccc(C2CCCC2)cc1 812224282 ITIMFHUSRVDNDG-UHFFFAOYSA-N 266.348 3.580 30 20 CHED C=CCCNCc1ccc(OC(F)F)c(Cl)c1 657582748 DDALNOLSXYXHQO-UHFFFAOYSA-N 261.699 3.607 30 20 CHED C#C[C@H](NC(=O)[C@](C)(C=C)CC)c1ccc(Cl)cc1 811948892 LBTYEIJPJNOKQF-GOEBONIOSA-N 275.779 3.733 30 20 CHED C[C@H]1Cc2ccccc2N(Cc2ccc(F)cc2C#N)C1 729482756 MXGUGYFLQVCQFU-ZDUSSCGKSA-N 280.346 3.896 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](CO)C1CCCC1 810259429 JADUUHQMYYMLHS-GDBMZVCRSA-N 253.430 3.652 30 20 CHED C#Cc1cncc(C(=O)N(CCCC)[C@@H]2CCC[C@H](C)C2)c1 818802376 NBPKEGABJWICGH-MAUKXSAKSA-N 298.430 3.884 30 20 CHED COc1ccc2nc(SCC(C)(C)CC#N)[nH]c2c1 575331438 WLXAKLFVIIGMAS-UHFFFAOYSA-N 275.377 3.603 30 20 CHED CN(CCCCC#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 574721473 MCUDQHRLILYQJN-TXEJJXNPSA-N 262.319 3.733 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2F)ccc1O 728231667 MZJMNGBNLOLPQI-TWGQIWQCSA-N 256.276 3.736 30 20 CHED Cc1c(NN=C2CCc3ccccc32)cccc1[N+](=O)[O-] 727973135 RXSHOPILIIAGQA-UHFFFAOYSA-N 281.315 3.666 30 20 CHED C[C@H]1CCC[C@H](OC(=O)c2cc3ccccc3n2CC#N)C1 729648882 IWWOONDYMDHOQP-ZFWWWQNUSA-N 296.370 3.900 30 20 CHED C=CCN(C)C(=O)CC1CCC(c2ccccc2)CC1 490943203 NIDOWDBBXPCIMF-UHFFFAOYSA-N 271.404 3.995 30 20 CHED C=CCC1(N[C@H]2CCC[C@@H](C(C)C)C2)CCOCC1 668551241 IHNODRPTFFKHDS-CVEARBPZSA-N 265.441 3.916 30 20 CHED C=CCN(Cc1cc2ccccc2nc1O)C(C)(C)C 661756785 VVJVFTHWWMJSSM-UHFFFAOYSA-N 270.376 3.727 30 20 CHED CCSCc1ccc(NC[C@@H](C#N)CCC#N)cc1 573823239 MBNRCVATDDAHAJ-CQSZACIVSA-N 273.405 3.795 30 20 CHED C#C[C@@H](NCc1cccc(O)c1)c1ccc(Cl)cc1F 491803248 IUWRHODNJRBGNY-MRXNPFEDSA-N 289.737 3.649 30 20 CHED C=CC[C@H](CC)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 724044151 XCGCSQDSVYAMIS-KKUMJFAQSA-N 296.455 3.624 30 20 CHED C=C(CNC(=O)N[C@H]1CCC[C@H]1CC)c1ccccc1 499196052 VGGPZLXMQBLVLC-ZBFHGGJFSA-N 272.392 3.578 30 20 CHED COc1cccc(/C=C2/Cc3c(C)cccc3C2=O)c1OC 729151730 WTRUGVWVFJAVIW-UVTDQMKNSA-N 294.350 3.835 30 20 CHED COc1ccc(C)cc1C=NNc1cccc2cnccc12 728432188 OJPWEDMRCYOZLM-UHFFFAOYSA-N 291.354 3.998 30 20 CHED CCCCCC[C@H](C)CC(=O)N[C@@H](C#N)CCC 727675263 IMUQYSHIEBRFLU-UONOGXRCSA-N 252.402 3.791 30 20 CHED C[C@H]1CN(CCC2(C#N)CCCCC2)C[C@@H](C)S1 583917951 OPVRNCRNKCACIG-OKILXGFUSA-N 266.454 3.676 30 20 CHED CCOc1ccc(C=Nc2ccc(F)c(C#N)c2)c(O)c1 728174545 WMSVLYCRLXVYGR-UHFFFAOYSA-N 284.290 3.552 30 20 CHED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCCCCC#N 588269328 YOAPKVORXRUAFP-LBPRGKRZSA-N 294.345 3.958 30 20 CHED Cc1cccc(N(C)C(=O)CCCCCC#N)c1C 588752720 DPOHBLYLDCBIBI-UHFFFAOYSA-N 258.365 3.740 30 20 CHED C#CC[C@H](OC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)c1ccccn1 733693163 VJFWVQLBYOANQY-HYVNUMGLSA-N 297.398 3.928 30 20 CHED CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCC#N 825720304 DORLZFAOJWJEMQ-ZDUSSCGKSA-N 270.298 3.530 30 20 CHED CC(C)(C)c1ncc(/C=C2/Cc3cc(O)ccc3C2=O)s1 588535108 MYMMZHHFQLLACV-FLIBITNWSA-N 299.395 3.969 30 20 CHED CC[C@@H]1CN(c2cccnc2C#N)CC[C@H]1c1ccccc1 589582102 RDUBTXOPDIRYFJ-NVXWUHKLSA-N 291.398 3.973 30 20 CHED C=C1CCN(c2nnc(-c3cc(C)oc3C)n2C2CC2)CC1 584475254 ABFDKBUNABBFKF-UHFFFAOYSA-N 298.390 3.646 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2ccsc2C#N)C1 906860951 XEBHCKBTHOFHHM-OAHLLOKOSA-N 276.405 3.662 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H]([C@@H]2CCCNC2)C1 831722065 RMSONBMAMVIMJA-IAGOWNOFSA-N 294.483 3.585 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccccc2OCC)c1 834903396 PGNORXKEJSWDJE-HNNXBMFYSA-N 279.383 3.917 30 20 CHED CCc1ccccc1NN=C(C)c1cncc(F)c1 737429273 QXRRXPMBMUVITM-UHFFFAOYSA-N 257.312 3.619 30 20 CHED C[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 580982574 VCYFKEACMMHYMQ-OAUYIBNBSA-N 254.377 3.714 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(C2CC2)C2(C#N)CCC2)cc1 585747849 MCEYGZPGPITILL-CQSZACIVSA-N 296.414 3.790 30 20 CHED Cc1ccc(CNN=C2CCC[C@H]2C(C)(C)C#N)cc1 835009312 UEPIPISWZFSCAV-OAHLLOKOSA-N 269.392 3.791 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cc1 588480248 FWGUCQPHMOGYBE-YWEYNIOJSA-N 288.730 3.950 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1C 734305233 NIAGHXMSDURRIA-SOFGYWHQSA-N 294.350 3.971 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 736247097 YZPQZWKFUXAETQ-UHFFFAOYSA-N 288.778 3.576 30 20 CHED Clc1ccc(C=NNc2nc3ccccc3[nH]2)s1 839387100 HPVUXYSLKVNAPN-UHFFFAOYSA-N 276.752 3.724 30 20 CHED CC(=NNc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1O2 834918705 GEJXYPGFNNPJFU-HZSPNIEDSA-N 264.756 3.695 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ccc(F)cn1)CCO2 731322038 WKRYEXIEBCTCIB-UHFFFAOYSA-N 299.349 3.943 30 20 CHED CC[C@H](C)[C@H](C=NNc1ccccc1Cl)OC 834917116 YROHKCJLQQAXSF-GWCFXTLKSA-N 254.761 3.799 30 20 CHED N#CCC1(CSc2ccc(-c3ccco3)nn2)CC1 594905499 UAXCEXAYRDNLCO-UHFFFAOYSA-N 271.345 3.523 30 20 CHED C=C[C@H](C)NC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 670804092 VIBVJNUUANEMMR-AAEUAGOBSA-N 299.336 3.965 30 20 CHED C=C(C)CCOC(=O)Cc1ccccc1C(F)(F)F 744300193 RQWPHOLDUJXLKE-UHFFFAOYSA-N 272.266 3.757 30 20 CHED CCC(C#N)(CC)c1nc(-c2ccc(OC)cc2C)no1 599192092 CDFDCQCLSZVEKZ-UHFFFAOYSA-N 285.347 3.635 30 20 CHED C[C@@]1(C#N)CCCN(CC[C@H]2CCc3ccccc32)C1 595427199 SLVJEBXNUYQCGM-AEFFLSMTSA-N 268.404 3.732 30 20 CHED Cc1ccc(-c2ncc(CNC[C@H](C)C#N)s2)cc1C 594612636 PHCZJKKKIWXEEH-LLVKDONJSA-N 285.416 3.676 30 20 CHED CCCCCNC(=S)NN=C(C)[C@@H](C)c1ccccc1 746369325 WSEHZGPJHRIIOG-CYBMUJFWSA-N 291.464 3.820 30 20 CHED Cc1ccc(-c2cccnc2)cc1NC[C@@H](C#N)CCC#N 591777201 VNTZGSLGTGCVNI-OAHLLOKOSA-N 290.370 3.912 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1c2ccccc2C[C@@H]1C 678921062 ATKMGPJPAHPMOF-KGLIPLIRSA-N 272.392 3.892 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)OCC(C)(C)CCC#N 842785572 OLUCLBBSUGMOOF-QWHCGFSZSA-N 265.397 3.932 30 20 CHED COc1ccc(NC[C@H]2CCOc3ccccc32)cc1C#N 846747514 LZAYZDLASOPKOT-CYBMUJFWSA-N 294.354 3.545 30 20 CHED CCC(CC)NN=Cc1cc(OC)c(OC)cc1SC 741164340 HLWZEXNJZJMSDY-UHFFFAOYSA-N 296.436 3.538 30 20 CHED C/C(=C/C(=O)Nc1cccc(OCC#N)c1)C(C)(C)C 742548297 CEGTVWFULOLOOR-BENRWUELSA-N 272.348 3.520 30 20 CHED Cc1cc(-c2ccc(O[C@H]3CCOC3)cc2)ccc1C#N 592984244 NXRSDUCEKZKVBX-SFHVURJKSA-N 279.339 3.701 30 20 CHED Cc1cc(C(=O)/C=C/c2ccccc2OCC(C)C)no1 844550789 OKUDZDQXBJPXCO-CMDGGOBGSA-N 285.343 3.914 30 20 CHED N#CC1(CC(=O)N2CCC[C@@H]3CCC[C@@H]32)CCCCC1 597298784 BMTUHZPOUAGHQL-GJZGRUSLSA-N 274.408 3.642 30 20 CHED N#Cc1ccc2nc(N3CCC4(CC3)CC4(F)F)ccc2c1 593498205 JIQCLCSYJUZLHI-UHFFFAOYSA-N 299.324 3.732 30 20 CHED CC[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)C1CC1 849301762 SPDVNWAKYWMQNS-CYBMUJFWSA-N 293.823 3.687 30 20 CHED Cc1ccc(-n2cc(CNCC(C)(C)CC#N)c(C)n2)cc1 594507022 JYFHRWNPCWZPJR-UHFFFAOYSA-N 296.418 3.519 30 20 CHED O=[N+]([O-])c1cccc(C=NNc2ccc(Cl)cc2)c1 916246987 SDUVMBRXLSNUPJ-UHFFFAOYSA-N 275.695 3.694 30 20 CHED C=CCOc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1 913962095 CBDYFGYEBNRPGP-UHFFFAOYSA-N 296.322 3.673 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 596629036 BLRHDDDQWJANDS-JTQLQIEISA-N 295.745 3.637 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 596713986 SRKPUUCZDMNKFL-LLVKDONJSA-N 293.317 3.782 30 20 CHED Cc1cccc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)c1 840713668 PTMPWMJPIKIXMK-CMDGGOBGSA-N 280.371 3.979 30 20 CHED CC(C)(C)CN(CCC#N)c1nc2cccc(F)c2o1 599061091 VRKYXMMXTXMHCK-UHFFFAOYSA-N 275.327 3.733 30 20 CHED Cc1ncsc1CCC(=O)OCCCCC(C)(C)C#N 840604213 HFPFDSVFPIFIKG-UHFFFAOYSA-N 294.420 3.647 30 20 CHED CC(C)[C@H]1N(C(=O)CC2(C#N)CCCCC2)CC12CCC2 597684072 MWQFZSCWCBHSCI-MRXNPFEDSA-N 288.435 3.888 30 20 CHED C=CCCC(=NNc1ccc([N+](=O)[O-])cc1)C1CC1 747735620 FJJASCCHZKUIJV-UHFFFAOYSA-N 259.309 3.739 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(OCCCC)cc1C 844515061 MUNPXCFTALQVRA-ZDUSSCGKSA-N 292.379 3.802 30 20 CHED C=CCN1C(=O)/C(=C\c2cc(C)cc(C)c2)SC1=S 921261797 JMTUDOYRJJTVJP-UKTHLTGXSA-N 289.425 3.691 30 20 CHED CCCCCC[C@H](CC)C(=O)N(C)c1ccc(C#N)nc1 844827076 XORIGMXYKBBQRR-AWEZNQCLSA-N 287.407 3.913 30 20 CHED C=CCOCCSc1ccnc2c(OC)cccc12 842185856 PGPMRFLSRZREQI-UHFFFAOYSA-N 275.373 3.538 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CCSc2ccccc21 929392086 ZUVRGSGYHCQSBW-TZMCWYRMSA-N 275.417 3.942 30 20 CHED CCC(CC)(CCO)CNc1nc2ccccc2cc1C#N 750029884 OTHMXXARYRXPRW-UHFFFAOYSA-N 297.402 3.707 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H]2CCc3ccccc32)n1 755742137 GHYLSDALZSBYPD-GFCCVEGCSA-N 286.766 3.566 30 20 CHED C=CCC(CC=C)C(=O)OCc1nc2ccccc2nc1C 759006458 FYVWEWHKXLLYTO-UHFFFAOYSA-N 296.370 3.750 30 20 CHED C#Cc1cccc(NC(=O)N2CCC[C@@H](CC(C)C)C2)c1 759502126 KNSRKKNRXYXIRW-INIZCTEOSA-N 284.403 3.958 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(C(C)(C)O)cc1 926518936 BZQKTAGLEIXOPO-ZDUSSCGKSA-N 261.409 3.777 30 20 CHED CC(C)=CCCC(C)=NNc1ncc(Cl)cn1 857223543 UDXFPLQCPWWLSJ-UHFFFAOYSA-N 252.749 3.664 30 20 CHED C#CC(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 754000064 MQSUVTTXSTXDIA-INIZCTEOSA-N 289.806 3.581 30 20 CHED Cc1ccc2c(c1)C(=NO[C@@H]1CCCCO1)CCC2 755822785 OEBBOFDYCZUISY-MRXNPFEDSA-N 259.349 3.579 30 20 CHED CCc1ccccc1NN=Cc1c(CC)nn(C)c1CC 755643070 LFHFPSGVVMEUGD-UHFFFAOYSA-N 284.407 3.553 30 20 CHED CC(C)CCCCCCNC(=O)N1CCC[C@@](C)(C#N)C1 753072869 WZUJYOONLGIGKU-KRWDZBQOSA-N 293.455 3.928 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cccc2c1OCO2)c1ccncc1 925075538 PQKYMYLKIMMFLB-XJKSGUPXSA-N 296.370 3.778 30 20 CHED N#CCOc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cc1 852469092 YIUWRXMIZCJHJQ-GOSISDBHSA-N 296.345 3.675 30 20 CHED O=C(/C=C/c1ccc(O)c(Cl)c1)c1cc(F)ccc1O 757467761 KKGJRLCDNXUICP-DAFODLJHSA-N 292.693 3.786 30 20 CHED COc1cccc(NN=C(C)Cc2cccc(F)c2)c1 759197916 XXASZWVWMYWATN-UHFFFAOYSA-N 272.323 3.865 30 20 CHED CC(C)c1ccc(NN=C2CCCn3nccc32)cc1 853356370 SCBIZPVHEPJUGM-UHFFFAOYSA-N 268.364 3.617 30 20 CHED COc1cc(F)cc(NN=CC(C)(C)CCC#N)c1 755769312 NDHFTCYBMGTCFS-UHFFFAOYSA-N 263.316 3.562 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2CCc3cc(F)ccc32)c1 920174719 OJWFDNRTWBVZFN-DZGUVLCISA-N 285.318 3.646 30 20 CHED C#CC[C@H](NC(=O)Nc1cccc(Cl)n1)c1ccccc1 752719387 SBACGCGYXVSCJK-ZDUSSCGKSA-N 299.761 3.621 30 20 CHED C#CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 753908593 LRNOQVVYUVRRIX-UHFFFAOYSA-N 271.703 3.704 30 20 CHED COc1ccc(C=NN2CCCC[C@H]2C)c(Cl)c1OC 853380583 RBWBVRIBNUHKQH-LLVKDONJSA-N 296.798 3.566 30 20 CHED N#CC1(CCCCN2CCC[C@H]2[C@H]2CCCOC2)CCC1 930811383 NIWPVJGGIFTKLJ-IRXDYDNUSA-N 290.451 3.742 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(F)cc2O)cc1F 757476964 VKGFIYYFMQNJLB-QHHAFSJGSA-N 290.265 3.575 30 20 CHED CCO[C@@H]1CC(=NNc2ccc(F)cc2C)C1(C)C 750938694 MFFBVTCWQJPQIZ-CQSZACIVSA-N 264.344 3.737 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(Cc1ccoc1)C1CC1 930459027 RPNHRUPAFDXHPW-UHFFFAOYSA-N 295.342 3.656 30 20 CHED COc1ccsc1C(C)=NNc1cnc2ccccc2n1 769782085 NRRDARLHZKZVHR-UHFFFAOYSA-N 298.371 3.536 30 20 CHED CCCCCCCC(=O)N[C@H]1CCOC2(CCC2)C1 768397333 NHHDYMROVSXKKG-AWEZNQCLSA-N 267.413 3.565 30 20 CHED COc1ccccc1C=NOCc1cc2ccccc2o1 767825604 QDJXOUUTHLKASZ-UHFFFAOYSA-N 281.311 3.992 30 20 CHED C#CCCCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 766906557 RMGHNOCQXKJJIM-CVEARBPZSA-N 291.460 3.830 30 20 CHED C=CC1CCN(C(=O)Nc2ccc(-c3ccon3)cc2)CC1 933725166 JWLNEWOCNCWBBL-UHFFFAOYSA-N 297.358 3.772 30 20 CHED CCCCc1nc(COC(=O)C(C#N)(CC)CC)cs1 860197273 IBIPFDIUIAYAIF-UHFFFAOYSA-N 294.420 3.859 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNC[C@@H]2C[C@H]3CC[C@H]2C3)c1 762555001 MMXRBVJMPKKSJG-DKIMLUQUSA-N 298.430 3.893 30 20 CHED CC[C@@H](CC#N)Nc1nn2cc(-c3ccccc3)nc2s1 762816718 UEZNZTRXAIZGST-LBPRGKRZSA-N 297.387 3.562 30 20 CHED COc1ccccc1CC(=O)OCCCCC(C)(C)C#N 768372427 JYNIIRYKRVOOMR-UHFFFAOYSA-N 289.375 3.501 30 20 CHED C#CCCOC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 766619725 WCABHSNFVQDYDS-JKSUJKDBSA-N 280.408 3.709 30 20 CHED Cc1cc(CNc2ccc(CN(C)C)c(F)c2)ccc1C#N 767684598 BFOPLBGZRRPTFE-UHFFFAOYSA-N 297.377 3.680 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)ccc1F 1116377902 SAFIXCPRAPXVEX-DAXSKMNVSA-N 286.302 3.744 30 20 CHED Cc1cccc2sc(NN=C[C@H]3CCSC3)nc12 872419827 WSEXBBJEZKLVFN-SNVBAGLBSA-N 277.418 3.756 30 20 CHED COc1ccsc1/C=C1/Cc2cc(C)ccc2C1=O 764431861 HMEGZWZAQWUOCX-XFXZXTDPSA-N 270.353 3.888 30 20 CHED N#Cc1cc2c(nc1SCc1cccc(F)n1)CCCC2 1118472877 INEDRHYGWHUZSL-UHFFFAOYSA-N 299.374 3.658 30 20 CHED C#CCCCCCCNC1CCN(c2ccccc2)CC1 876963278 JJBFJJJQPJYECA-UHFFFAOYSA-N 284.447 3.829 30 20 CHED CSCC[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 775391429 BGPRHADBAJDQRQ-MLGOLLRUSA-N 274.433 3.667 30 20 CHED CN1CCC(C=NNc2ccc(Cl)cc2Cl)CC1 872334257 RIEOQLZHXFQDQP-UHFFFAOYSA-N 286.206 3.733 30 20 CHED CC(=NN[C@H](Cc1ccccc1)C(C)C)c1ccc(N)cc1 777449491 WGOLCNYOHAGAAJ-LJQANCHMSA-N 295.430 3.850 30 20 CHED Cc1cccc(OC[C@@H](O)c2ccc(C#N)cc2)c1Cl 773574895 UUVBNZDJXJRMOD-CQSZACIVSA-N 287.746 3.633 30 20 CHED CC(CCOCc1ccccc1)=NNc1cc(C)ccn1 872356455 ODNVYMOBLUUGSS-UHFFFAOYSA-N 283.375 3.785 30 20 CHED C#CCCCCCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 779916814 WINXDMJKMZYBJW-IUODEOHRSA-N 291.341 3.521 30 20 CHED C=C[C@@H](COC)Nc1cc(C(C)(C)C)nc(C(C)C)n1 1116793448 WGEVICULEBKHAG-LBPRGKRZSA-N 277.412 3.510 30 20 CHED CSc1ccccc1C(=O)/C=C\c1ccnn1CC1CC1 1118380439 VDXRRLZUPCSQGP-HJWRWDBZSA-N 298.411 3.911 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NOC1CCCC1 774597040 NLWWEEIKHYJIDY-UHFFFAOYSA-N 263.385 3.548 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)c(C#N)c1)C2 770573560 ZSEGJUUZDOANOG-AWNIVKPZSA-N 293.297 3.528 30 20 CHED CC(=NOC1CCCC1)c1cc([N+](=O)[O-])ccc1C 774596824 MUVVFAAQNQUOGS-UHFFFAOYSA-N 262.309 3.586 30 20 CHED C=CCC[C@H](C(=O)OC[C@@H]1CC[C@@H](C)O1)c1ccccc1 778696146 FCJXIUJVNIBFHG-PVAVHDDUSA-N 288.387 3.847 30 20 CHED C=CC(C)(C)CC(=O)NCCCCCCSC 879449624 UNGXPXONBCQTMP-UHFFFAOYSA-N 257.443 3.628 30 20 CHED CC(C)c1nccnc1NN=C[C@@H]1CCc2ccccc21 773077004 CCBPATRJWUFQHV-AWEZNQCLSA-N 280.375 3.728 30 20 CHED CCc1nn(C)cc1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 770576569 ZSSGRCUUASJRNY-KWZJRMENSA-N 292.382 3.682 30 20 CHED C#CCCCN[C@H]1CCCC[C@H]1Cc1ccccc1 775683811 ZMLMUAJMRQRMBH-ROUUACIJSA-N 255.405 3.791 30 20 CHED N#Cc1ccc(NN=C2CCCNc3ccccc32)cc1 774370765 OLFGRISSTIGADR-UHFFFAOYSA-N 276.343 3.580 30 20 CHED CC(=NNCc1cccc(Cl)c1)C1CCSCC1 777439136 QJRCGPNRXFXEAZ-UHFFFAOYSA-N 282.840 3.949 30 20 CHED C=C[C@H](CC)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 776103101 BEWADWDOISMHJR-CQSZACIVSA-N 284.359 3.815 30 20 CHED C=CCCCCNC(=O)C(F)(F)c1c(F)cccc1F 770083255 VDEFNJLRDGOPJS-UHFFFAOYSA-N 289.272 3.529 30 20 CHED N#Cc1ccc(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 887706120 MJLOQAWYIFQREQ-SFHVURJKSA-N 294.398 3.621 30 20 CHED C#CCCCCCC(=O)N(C)Cc1ccc(C)cc1 779736492 WLKHVRJSNPRHPP-UHFFFAOYSA-N 257.377 3.537 30 20 CHED COc1ccc(CNN=Cc2cscc2Cl)cc1 771877281 OBAYRTOQDQRIDQ-UHFFFAOYSA-N 280.780 3.534 30 20 CHED C[C@H]1CC[C@@H](C(=O)OCc2ccc(Cl)cc2C#N)C1 780038439 KDFASPHHIACAPM-WDEREUQCSA-N 277.751 3.691 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1cc(Cl)ccc1F 786630527 RQNCOGXZMQUDTQ-CYBMUJFWSA-N 256.704 3.987 30 20 CHED C(=NOCc1ccccc1)c1ccc2cnccc2c1 782188193 UVNYWWARMYABCD-UHFFFAOYSA-N 262.312 3.786 30 20 CHED COc1ccc(CNN=Cc2ccc(Cl)cc2F)cc1 783513485 DOOYRWBKNANTOP-UHFFFAOYSA-N 292.741 3.611 30 20 CHED Clc1cncnc1NN=C1CC[C@@H]2CCCC[C@H]2C1 780282862 JMYQYZBZJKFCKA-QWRGUYRKSA-N 278.787 3.888 30 20 CHED N#CC1(CC(=O)Nc2cncc(Cl)c2)CCCCC1 895075934 JTZRNRSTBDVCKY-UHFFFAOYSA-N 277.755 3.538 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)CC1 895875272 KVTVMXGCRUSVHC-YJBOKZPZSA-N 299.414 3.721 30 20 CHED CC1(C)C[C@H](NN=C2CCCCc3ccccc32)CCO1 780246778 KKOAKAJNKQCMHF-OAHLLOKOSA-N 286.419 3.664 30 20 CHED CCCCCCCOC(=O)c1coc(C2CC2)n1 786149580 NREYUSUUFNEXSN-UHFFFAOYSA-N 251.326 3.679 30 20 CHED C=C1CC(c2noc([C@H](C)c3cccc(F)c3)n2)C1 896881659 DJKVJLXMPCGOQC-SNVBAGLBSA-N 258.296 3.794 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(F)n2)C1(CC)CC 795009171 XMDDESGOHFIFJF-GFCCVEGCSA-N 279.359 3.604 30 20 CHED C[C@H]1CC(=NNc2ncncc2F)C[C@@H](c2ccccc2)C1 793210087 FMGZFWVZJBDSCF-OCCSQVGLSA-N 298.365 3.987 30 20 CHED CC(=NNCCC(F)(F)F)c1cc(C)c(C)cc1C 794551704 IXZHHUKKYYXWEV-UHFFFAOYSA-N 272.314 3.878 30 20 CHED C/C(C=NNC[C@H](C)C#N)=C\c1ccccc1C(F)(F)F 799883238 VIGKIRBLZDKYIE-OYDYMLAZSA-N 295.308 3.844 30 20 CHED CC(C)C1CCC(C=NN[C@H]2CCOC(C)(C)C2)CC1 794933019 NRGNHQAEHIURQU-GPANFISMSA-N 280.456 3.982 30 20 CHED Cc1ccc(C(=O)OCCCCC(F)(F)F)cc1C#N 799548429 SQMJGGPEHJLODB-UHFFFAOYSA-N 285.265 3.756 30 20 CHED CC[C@H](C)CON=Cc1ccc(Oc2cnccn2)cc1 793146969 WVQDBHLCLDONSH-ZDUSSCGKSA-N 285.347 3.666 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)c1cn(C)nc1C 793530342 ZZXSFDPCJKCFMC-UONOGXRCSA-N 263.429 3.904 30 20 CHED COCCN(C)N=C(C)c1ccc(Oc2ccccc2)cc1 794973860 JUNLOKAOFKVJNP-UHFFFAOYSA-N 298.386 3.781 30 20 CHED C#C[C@H](CCC)NC(=O)c1ccc(Oc2ccccc2)o1 791205320 SVBBIAMMRJDZRB-CYBMUJFWSA-N 283.327 3.604 30 20 CHED Cc1ccc(F)c(NN=Cc2c(F)ccc(O)c2F)c1 794520513 ORCWAYDVTNFXDE-UHFFFAOYSA-N 280.249 3.564 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)c1ccc(C)cc1O 794813428 DLDYJVNUYDXZQC-KRWDZBQOSA-N 298.361 3.952 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C)c3ccccc32)cc1C#N 799310983 OSIYVRCCHDOTCO-ZDUSSCGKSA-N 276.339 3.631 30 20 CHED CC(C)c1ccoc1C(=O)OCCOc1ccc(C#N)cc1 792618055 OMRIIUQMTOPRTE-UHFFFAOYSA-N 299.326 3.510 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(OC(C)C)c(C(N)=O)c1 793382855 MDIMYOXVZSQNIC-CYBMUJFWSA-N 290.407 3.729 30 20 CHED CC(C)Cc1ccccc1C(=O)OCc1ccnc(C#N)c1 791743277 NRGOFDUNCBRMML-UHFFFAOYSA-N 294.354 3.509 30 20 CHED CCC[C@](C)(CC)C(=O)OCC(=O)c1ccc(C#N)cc1 796328519 VQTBCLROZGOKFY-KRWDZBQOSA-N 287.359 3.501 30 20 CHED Cc1ccc(C#N)c(Nc2ccc(-c3ccon3)cc2)n1 1164200757 IAKAAIUSXSNQKK-UHFFFAOYSA-N 276.299 3.660 30 20 CHED C=CCN(CC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 271533833 XVGFXORMEULQIN-UHFFFAOYSA-N 299.201 3.582 30 20 CHED N#Cc1cc(F)c(N2CC[C@H]3CCCC[C@@H]3C2)c(F)c1 83419859 RGXJNAIVGFMABQ-CHWSQXEVSA-N 276.330 3.853 30 20 CHED C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)C1CCCCCC1 1312474801 YGVRGQXPMBCKKA-HUUCEWRRSA-N 291.439 3.681 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(-c2nccs2)c1 274370198 VOGYFTQRBGKAOB-UHFFFAOYSA-N 284.384 3.798 30 20 CHED C=CCCO[C@@H](C)c1nnc(-c2ccc(CC)cc2)o1 1322664061 XRJYILNMDUJVQI-LBPRGKRZSA-N 272.348 3.953 30 20 CHED Clc1ccc(SCc2nnc(C#CC3CC3)o2)cc1 1329295724 UCPJWQNGCJIVPZ-UHFFFAOYSA-N 290.775 3.777 30 20 CHED Cc1cc(C#N)ccc1CN(C)Cc1cc2ccccc2[nH]1 1320740472 XQZXLPDZZJYRBB-UHFFFAOYSA-N 289.382 3.980 30 20 CHED Cc1ccc(OC(=O)c2cccc(C#N)c2C)cc1F 1321730280 UZPNUOCUAZBDDB-UHFFFAOYSA-N 269.275 3.533 30 20 CHED COc1ccc(-c2cc(C)c(C#N)c(Cl)n2)cc1OC 95831308 GMLODCJOMBYFHN-UHFFFAOYSA-N 288.734 3.599 30 20 CHED CC[C@H](C)CCCCC(=O)OCc1ccc(C#N)cn1 1321156693 HRQQUCHFLYWPFQ-ZDUSSCGKSA-N 274.364 3.603 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 303781678 CXORQMIKALLUNI-GXTWGEPZSA-N 271.364 3.649 30 20 CHED CC[C@H](c1ccccc1)c1nnc(C2(C#N)CCCC2)o1 1324205745 XITCWJNFPFVCNA-CQSZACIVSA-N 281.359 3.947 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccnc(C#N)c2)c1C 1185467981 YVTMBBJALPDDNJ-SFHVURJKSA-N 277.371 3.912 30 20 CHED Cc1cccc([C@H](C)Nc2cccc(CC#N)n2)c1C 1255095211 FAMAALJPCOXIFK-AWEZNQCLSA-N 265.360 3.938 30 20 CHED Cc1ccc(C)c2c1OC/C(=C\c1scnc1C)C2=O 1322089276 MITWXBUKFYPJPU-WUXMJOGZSA-N 285.368 3.727 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 714399208 FXEOODMQIBXSCK-MFKMUULPSA-N 276.767 3.976 30 20 CHED Cc1cc(Cl)ccc1CN1CCC(CC#N)CC1 572664026 GDYYJOGSMUBMOI-UHFFFAOYSA-N 262.784 3.774 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cccc(C(C)(C)C)c1 576835523 DPVDTXFMXFFEBR-CYBMUJFWSA-N 272.392 3.606 30 20 CHED C=CC[C@H](N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1)C(=O)O 1334776637 HSLJKFCENHBMPC-SVGFKBNWSA-N 287.403 3.578 30 20 CHED COc1ccc2cc(C(=O)O[C@@H]3CC[C@H](C#N)C3)ccc2c1 1263379377 KGSAWMOIMHFVHW-YVEFUNNKSA-N 295.338 3.697 30 20 CHED C=C(CC)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 1346199599 BIUZIKWBBNNWGU-AWEZNQCLSA-N 263.768 3.970 30 20 CHED C[C@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)C(C)(F)F 1262101306 VKJVLKCAWDYLJK-LLVKDONJSA-N 292.329 3.735 30 20 CHED CC(C)C[C@@]1(C)CCCN1C(=O)c1csc(C#N)c1 1344379203 RGFQDUSGWKLWIW-OAHLLOKOSA-N 276.405 3.661 30 20 CHED CC[C@@H](F)C(=O)Nc1sc(-c2ccccc2)cc1C#N 1355050909 RKTPQLUKVWLNPU-GFCCVEGCSA-N 288.347 3.973 30 20 CHED C=C[C@H](C(=O)N1CC[C@H](c2ccco2)C1)c1ccccc1 1351188771 VGXLVTCHAAWJSF-HOTGVXAUSA-N 281.355 3.565 30 20 CHED Cc1cc(F)c(C(=O)Nc2cc(C#N)ccc2F)cc1F 1436645318 URAAFPPPMKWIMN-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N(C)[C@H](C)C#N 1527365963 UAJOGOSRGDTWIG-GBRKPNRJSA-N 290.451 3.990 30 20 CHED C[C@H](OC(=O)[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 1524300882 CUFLKZAUXFOKBG-WWGRRREGSA-N 271.360 3.989 30 20 CHED N#Cc1ccc(F)c(C(=O)N(Cc2ccccc2)C2CC2)c1 1525754002 KHXLIZXTFFSYMV-UHFFFAOYSA-N 294.329 3.502 30 20 CHED Cc1ccc(CCCN2CCc3ccc(C#N)cc32)cc1 1459889513 OLXPYQCTNRJBPQ-UHFFFAOYSA-N 276.383 3.862 30 20 CHED Cc1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc1C 1463621427 VTFIKWAUGYZWLR-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CCCN(C)c1ccccc1NC(=O)c1ccc(C#N)cc1 1530994471 NZGYSUCJGXSBKW-UHFFFAOYSA-N 293.370 3.657 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(C#N)ccc1F 1476714811 AYMYPUYHNCADMB-LBPRGKRZSA-N 297.333 3.922 30 20 CHED Cc1cc2ccccc2nc1NN=C1CCC[C@H](C(=O)O)C1 1610480350 VLQOGLDJMOOUSY-ZDUSSCGKSA-N 297.358 3.586 30 20 CHED CCCN(CCC)c1nccc(Oc2cccc(C#N)c2)n1 1472653171 KGHFIIHMMXBTAD-UHFFFAOYSA-N 296.374 3.767 30 20 CHED Cc1cc(C)c2nc(N(C)C[C@H](C)C#N)sc2c1 1611797886 KZBMDWCOIPOGGO-SNVBAGLBSA-N 259.378 3.509 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(C(=O)O)cs2)c(C)c1 1610498468 IQZXWRWWECQBDX-AATRIKPKSA-N 286.352 3.959 30 20 CHED N#CCC1(CN2CCC[C@@H]2/C=C\c2ccccc2)CC1 1620628645 RWQCBDNQQUPCBN-XZVRFQMRSA-N 266.388 3.858 30 20 CHED CCC1(CC)[C@H](Nc2ccc(CC#N)cc2)C[C@H]1OC 1621236910 WREWJJUTCFNRCN-HZPDHXFCSA-N 272.392 3.758 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)c2cc(Cl)ccc2F)C1 1567287831 KVKQHCFXNWBBRQ-KGXJWFGYSA-N 294.757 3.596 30 20 CHED N#Cc1cccc2c1CCN2CCCC1CCCC1 1654793139 CNXBDFFDZVHDRG-UHFFFAOYSA-N 254.377 3.891 30 20 CHED C=CCCC[C@@H](NC(=O)[C@@H](CC)CC1CCCC1)C(=O)O 1588787044 SVFLNPYPGSOYEA-LSDHHAIUSA-N 295.423 3.519 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1scc(C)c1C#N 1669735879 IAEBCNVTBANPLI-MWLCHTKSSA-N 279.409 3.874 30 20 CHED N#Cc1ccc(OCc2ccc3ncccc3c2)cc1 20248353 XCKDASWLBNHDGV-UHFFFAOYSA-N 260.296 3.685 30 20 CHED C=CCN(CCC(=O)O)Cc1c(C)ccc2cc(C)ccc12 1776177931 IVFRXQNGHJTNTN-UHFFFAOYSA-N 297.398 3.919 30 20 CHED CC1(C)CCCC(=NNc2ccc(F)c(C(=O)O)c2)C1 1776062410 SNLKOODVVZKHFP-UHFFFAOYSA-N 278.327 3.892 30 20 CHED C=CC[C@@H]1CCCN([C@@H](C(=O)O)c2ccc(F)cc2C)C1 1776165282 RPGZVURFOKVGND-CZUORRHYSA-N 291.366 3.548 30 20 CHED N#CCOc1cc(Cl)c(Br)cc1Cl 11834440 FOYMEOCEPPEHJT-UHFFFAOYSA-N 280.936 3.658 30 20 CHED C#CCCCCNC(=O)Nc1ccc(C(C)C)cc1 150730735 YNKLUZDMLQOTGS-UHFFFAOYSA-N 258.365 3.735 30 20 CHED N#CCC[C@H](NC(=O)C1CCCCC1)c1ccccc1 153204649 IUCHRVCKMHGYRR-INIZCTEOSA-N 270.376 3.728 30 20 CHED CCCn1c(-c2ccc(C)cn2)nc2cc(C#N)ccc21 155080122 SMIUBNFUNLJHRY-UHFFFAOYSA-N 276.343 3.688 30 20 CHED CC#CCCSc1nnc(-c2ccc(C)cc2)o1 155094619 LOVVGAMMPJDHKN-UHFFFAOYSA-N 258.346 3.551 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(C)s1 156758883 XQTRYQPVUWEBTH-UHFFFAOYSA-N 251.395 3.875 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cnc(C2CC2)nc1 159047106 PIVMGMHLVWVDAD-UHFFFAOYSA-N 288.395 3.564 30 20 CHED Cc1cc(CNCC23CCC(CC2)C3)ccc1C#N 1650886590 ZOJATIBZGNSXBL-UHFFFAOYSA-N 254.377 3.537 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC1CCC1 1653427605 MSECOLUIMHPDFZ-QZTJIDSGSA-N 268.404 3.948 30 20 CHED C#Cc1ccc(CNc2cc3c(cc2Cl)OCO3)cc1 809630758 IIZSVDUYNMFXCF-UHFFFAOYSA-N 285.730 3.662 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)nc1 104209968 PIXAHBVTUXHUCE-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C[C@@H](CCc1ccco1)Nc1ccc(F)cc1C#N 113317561 FQBJYLRYTKLMCW-NSHDSACASA-N 258.296 3.724 30 20 CHED C[C@@H](Cc1ccc(F)cc1)NCC(C)(C)CCC#N 229695530 LTCPDTQFQKDJEO-ZDUSSCGKSA-N 262.372 3.676 30 20 CHED Cc1ccc(Cl)c(NC(=O)c2cccc(C#N)c2)c1 124581037 WVKAOUQAWVVPDK-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC[C@H](CC#N)NCc1ccc(F)cc1C(F)(F)F 129448457 KRZQHJQTCXSPDR-LLVKDONJSA-N 274.261 3.626 30 20 CHED Cc1cc(C#N)ccc1COc1ccc(Cl)cc1C=O 165705038 XHZLSYBHTXIGAO-UHFFFAOYSA-N 285.730 3.912 30 20 CHED CSCCCCCNc1ncc(C#N)cc1Cl 274754571 INDCBIOKBGFIKE-UHFFFAOYSA-N 269.801 3.552 30 20 CHED N#Cc1cc(Cl)ccc1NCc1ccccc1[N+](=O)[O-] 52858278 QRPKCBWPDVTFKO-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 182008192 UOAAJLFJIOLBEY-GJZGRUSLSA-N 272.392 3.984 30 20 CHED C#Cc1cccc(NCc2cc(Cl)cc(OC)c2O)c1 185205475 BZVHZXGZFGZIAF-UHFFFAOYSA-N 287.746 3.648 30 20 CHED CCCC(CCC)C(=O)Nc1ccc(C#N)c(F)c1 308134618 ZHXWVDWLEYCSKU-UHFFFAOYSA-N 262.328 3.852 30 20 CHED N#Cc1ccc(CNCc2sccc2Cl)cc1 310258278 YTKRQRPNELPFIN-UHFFFAOYSA-N 262.765 3.563 30 20 CHED Cc1nc(NCC2(C3CC3)CC2)c(Cl)cc1C#N 310735999 GLKUWCWMKROBAO-UHFFFAOYSA-N 261.756 3.517 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)cc1Cl)C1CCCC1 610896521 DHCPTEWYTNISGR-JTQLQIEISA-N 276.767 3.976 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CC23CCCC3)c(Cl)c1 610896565 RIYHMYXURPWTOW-LLVKDONJSA-N 274.751 3.730 30 20 CHED C=CCC1(NC(=O)c2ccc(O)c(Cl)c2)CCCC1 619113237 FCLAFNUBQAVTAE-UHFFFAOYSA-N 279.767 3.664 30 20 CHED C=CCC(C)(C)CN[C@@H](C)Cc1ccccc1OC 381677157 AMEUMQSDCWCFQM-AWEZNQCLSA-N 261.409 3.818 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(Cl)s3)no2)cc1 384443383 ZLVLVPLWFQUSMF-UHFFFAOYSA-N 287.731 3.990 30 20 CHED C[C@@H](Cc1ccsc1)N[C@H](C)CC(C)(C)C#N 695860259 UJLIBAZSNATJSZ-NWDGAFQWSA-N 250.411 3.597 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 8513570 QJYMIWOTPBPLIH-BJMVGYQFSA-N 251.260 3.593 30 20 CHED C#CCOc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 172116710 SNRSOZMOADPZED-IBGZPJMESA-N 295.357 3.615 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccccc1C 116972620 GEONEDLJHCFIDX-ZBFHGGJFSA-N 272.392 3.806 30 20 CHED C=CCCSCCOc1ccccc1OCC 173833644 RHYGQKRSPQLYQL-UHFFFAOYSA-N 252.379 3.773 30 20 CHED C=CCS[C@H](C)C(=O)Nc1cccc(Cl)c1 114757291 XBNNDSWQVZRGLB-SECBINFHSA-N 255.770 3.586 30 20 CHED Cc1c(C#N)c(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 53999086 PNPTTWRITWUYCE-UHFFFAOYSA-N 289.294 3.990 30 20 CHED C=CCCCC(=O)Nc1c(C)cc(N(C)C)cc1C 178625163 CYOVLKZEAHWUFY-UHFFFAOYSA-N 260.381 3.664 30 20 CHED CCCCCCCCC(=O)N(C)C[C@@H]1CCCOC1 107649016 STJRSEJRFGYXFW-HNNXBMFYSA-N 269.429 3.622 30 20 CHED CCc1cccc(C)c1NC(=O)c1sccc1C#N 52027784 CYLLMMNBNQNZDU-UHFFFAOYSA-N 270.357 3.743 30 20 CHED COc1cccc(Cl)c1CNc1c(C#N)cccc1C#N 302905258 VSLCEQJSWGLAQX-UHFFFAOYSA-N 297.745 3.704 30 20 CHED CC(C)COc1cncc(N[C@H](C)c2cccc(C#N)c2)n1 301576162 QHFDKEUFHYHRQB-CYBMUJFWSA-N 296.374 3.556 30 20 CHED C[C@@H](NCCSCc1ccccc1C#N)c1ccco1 177822474 RTVIERVBLLYRFT-CYBMUJFWSA-N 286.400 3.735 30 20 CHED CCc1cccc(N/C(N)=N/CC2(c3ccccc3)CC2)c1 303775426 GVUZXSSBXLSZDG-UHFFFAOYSA-N 293.414 3.707 30 20 CHED N#C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C1CC1 176077259 VMUSOILRXRQXKP-QGZVFWFLSA-N 293.322 3.938 30 20 CHED C=C(C)CN1CCC(Nc2ccnc3c(F)cccc23)CC1 302706653 WCXKMHOXSPLGPU-UHFFFAOYSA-N 299.393 3.826 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCS2)c(Br)c1 120098273 OALLQBJDAVAJRQ-JTQLQIEISA-N 297.221 3.628 30 20 CHED N#CCSCCCN(Cc1ccco1)Cc1ccco1 173855586 FHFSDKJGFVNGKX-UHFFFAOYSA-N 290.388 3.522 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(CCCC)n[nH]2)cc1 64079150 FDGHULDKCGOUGB-UHFFFAOYSA-N 299.374 3.569 30 20 CHED COc1ccc(C2(NCc3ccc(C#N)o3)CCCC2)cc1 174400439 WLQLNPOYJDMLGI-UHFFFAOYSA-N 296.370 3.719 30 20 CHED C=CCCCN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 172179646 RDHVTMYDFCUUJJ-CQSZACIVSA-N 296.455 3.578 30 20 CHED C=C(Cl)C[S@](=O)Cc1ccc(Cl)cc1Cl 66301042 OOXAMMGJCYTRHT-OAHLLOKOSA-N 283.607 3.995 30 20 CHED N#Cc1ccc(N[C@H]2CCCc3c(O)cccc32)cc1 302648627 BDRNSKXDOPBOKT-INIZCTEOSA-N 264.328 3.753 30 20 CHED N#Cc1ccc(N2CC[C@@H](Cc3ccccc3)C2)c(F)c1 301454613 YLPQFAQHWDJXRM-INIZCTEOSA-N 280.346 3.766 30 20 CHED C=C[C@@H](C)NC(=O)NC1CCC(c2ccccc2)CC1 128265054 PZUHRMIWISADCI-IUDNXUCKSA-N 272.392 3.587 30 20 CHED CCOCc1cccc(Nc2c(C#N)cccc2C#N)c1 302902571 UGDMWVWVEIHRGB-UHFFFAOYSA-N 277.327 3.710 30 20 CHED CC[C@@H](CC#N)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 183953424 WBJSENGOCXAXRS-LJLILKBBSA-N 296.292 3.527 30 20 CHED C=CCC[C@@H](NCCc1ccc(Cl)nc1)C1CC1 121675604 HPWUCGWYLZTLKX-CQSZACIVSA-N 264.800 3.612 30 20 CHED N#CCCCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 126085763 BXMNPJFWBDXJRS-LBPRGKRZSA-N 299.201 3.750 30 20 CHED CCOCCC1(CN[C@@H]2CCC[C@H](C#N)C2)CCCC1 185855206 XLFLFUWPDCETRC-JKSUJKDBSA-N 278.440 3.645 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1csc(Cl)c1 189511466 NLAIEPGCWJFMGN-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCC[C@@H](C)N[C@H](COCC(C)C)c1ccco1 184199547 JLFYLUNAJMTOOA-HUUCEWRRSA-N 265.397 3.938 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cc(Cl)ccc1OC 500104802 PXWPNWXWSLSFFS-NSHDSACASA-N 282.771 3.825 30 20 CHED Cc1nc(C(C)(C)NCc2ccc(C#N)cc2)sc1C 76904115 ULCNWPRMIZNMOP-UHFFFAOYSA-N 285.416 3.657 30 20 CHED COC(=O)c1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 37251261 HVSSZBKCWRHWNK-LBPRGKRZSA-N 280.327 3.518 30 20 CHED COC(=O)[C@H](CC(C)(C)C)Sc1cccc(C#N)c1 181019139 AZTIYSIPSNIIPZ-ZDUSSCGKSA-N 277.389 3.628 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(Cl)o2)s1 79263214 WOTAAXOJBHSJCM-UHFFFAOYSA-N 280.736 3.681 30 20 CHED CSc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 414161017 DWJZKVSAXKUWIQ-GFCCVEGCSA-N 262.422 3.999 30 20 CHED N#CCC[C@H](NC(=O)Nc1ccsc1)c1ccccc1 121338114 MOYZVLPXJVZQER-AWEZNQCLSA-N 285.372 3.915 30 20 CHED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)CC#N)s2)cc1 185632296 YVAVPUDCMIXDNX-NSHDSACASA-N 299.399 3.518 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@@H]1C 413834764 MLPLOGGESLDWJJ-YQQAZPJKSA-N 286.419 3.614 30 20 CHED C=C(C)CS[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O 419411394 BKUFKGXSDHTNOG-DOMZBBRYSA-N 293.407 3.797 30 20 CHED Brc1ccc(CO/N=C2/CCCOCC2)cc1 180476705 BYPPIIQPITZPGO-SQFISAMPSA-N 298.180 3.522 30 20 CHED C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCCSCC#N 74991186 AZJNVXHZJFXSBN-UKRRQHHQSA-N 292.423 3.650 30 20 CHED N#CCc1ccccc1C(=O)OC/C=C\c1ccccc1 214878696 UMMFVKFIIAVBCR-TWGQIWQCSA-N 277.323 3.623 30 20 CHED C=CC[C@@H](CC)NC(=O)CCC(=O)c1ccc(Cl)cc1 410137741 XRKAPDJOAUYHCA-CQSZACIVSA-N 293.794 3.774 30 20 CHED COC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CCCC1 315289922 WRQOKTVLEQJYPA-UHFFFAOYSA-N 298.308 3.948 30 20 CHED C=CCCCCCN[C@@H]1CCCC[C@H]1OC(F)F 502493832 IYNXYQVOOHQWIG-CHWSQXEVSA-N 261.356 3.873 30 20 CHED CC(C)CC[C@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 42999309 JPGCZDRKAPARRN-AWEZNQCLSA-N 287.407 3.524 30 20 CHED C=CC[C@@H]1N(C(=O)[C@H]2CCC[C@@H](OC)C2)CCCC1(C)C 508071388 AFEPAWYEIWYSFQ-XHSDSOJGSA-N 293.451 3.785 30 20 CHED CCCCCS[C@H](C)C(=O)NC1(C#N)CCCCC1 180734508 UMBRITUXJULTNR-CYBMUJFWSA-N 282.453 3.641 30 20 CHED CC(C)(CC#N)CN[C@H]1CCc2cc(Cl)ccc21 414171402 UWFCFRHFKQHICK-AWEZNQCLSA-N 262.784 3.857 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 181806032 ILNMLBBCLSVADD-JTQLQIEISA-N 280.334 3.571 30 20 CHED C=C(C)CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 505814769 IAICOCLFFHKEEM-UHFFFAOYSA-N 270.351 3.972 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)NC1(C#N)CCCCC1 503313936 ROJHIGOQTMDTSO-CQSZACIVSA-N 276.424 3.936 30 20 CHED O=C(/C=C\c1cccc2c1OCO2)c1c[nH]c2ccccc12 221917617 OCNBCVZJBMBDQD-HJWRWDBZSA-N 291.306 3.793 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccoc1 413815291 GVZVVMDCZSRTRF-KRWDZBQOSA-N 298.386 3.608 30 20 CHED O/C(=N/[C@@H]1CCc2ccccc21)c1cc(O)nc(C2CC2)c1 329961018 OHOMBKRACXHDRI-OAHLLOKOSA-N 294.354 3.657 30 20 CHED CC[C@@H]1[C@@H](C)CCN1c1nc(C(C)(C)C)ccc1C#N 613896846 UUSRQFJYMVJIMW-GXTWGEPZSA-N 271.408 3.876 30 20 CHED Cc1csc(N=C(O)[C@@H]2CCC(=O)C[C@@H]2C)c1C#N 329496772 DXCOUTNQZYCKDB-GZMMTYOYSA-N 276.361 3.522 30 20 CHED OC1=NC2(CCC2)[C@@H](/N=C(/O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 328759172 WNCCOWWUYWLTQD-XUXIUFHCSA-N 290.407 3.811 30 20 CHED C[C@@H](/N=C(/O)N1CCCCO1)c1cc2cccc(F)c2o1 328781763 UYEMKQWFLRWYIL-SNVBAGLBSA-N 292.310 3.574 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H]1CSc2ccccc21 83774515 LUNGFHBPDOHDFW-AWEZNQCLSA-N 294.379 3.695 30 20 CHED C=CCC(C)(C)C(=O)NCCN(CC)c1cccc(C)c1 429937045 QEEHEPRUOJXSQZ-UHFFFAOYSA-N 288.435 3.540 30 20 CHED CC[C@H](C)[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425420530 MSGIYYFBRVYQJB-MJBXVCDLSA-N 287.407 3.695 30 20 CHED C=CCC[C@@H](NC(=O)C[C@@H]1CCCOC1)c1ccccc1 193617844 MOLKKUIZRFHLLB-DOTOQJQBSA-N 287.403 3.627 30 20 CHED CC[C@@](C)(C#N)NC(=O)[C@@H](C)c1ccc2ccccc2c1 84590889 GMWZWWJOMAYTOV-UGSOOPFHSA-N 280.371 3.752 30 20 CHED C=C(C)CSc1nncn1[C@@H](C)c1ccccc1 49517480 ZERJLQAGNRNFCQ-LBPRGKRZSA-N 259.378 3.556 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 328699773 MKBGBFCQDDUXSP-PBXXVYOESA-N 292.423 3.913 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1cc2ccccc2o1 424712107 RWEPPJUHYJILME-UHFFFAOYSA-N 271.360 3.994 30 20 CHED C=CCSCCN[C@H](C)c1cc(F)c(F)c(F)c1 180458620 FKPJDSRNBKPZON-SECBINFHSA-N 275.339 3.674 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)n(C2CC2)c1C 428051954 XEAXJVFBDZLLFV-AWEZNQCLSA-N 272.392 3.621 30 20 CHED C#CCCCC(=O)Nc1cccc2oc(C(F)(F)F)nc12 190398966 ITAOUASQDJNOLK-UHFFFAOYSA-N 296.248 3.589 30 20 CHED C=CCCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 338659876 APWDJYFEAKWESW-MRXNPFEDSA-N 255.361 3.631 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H](C)CN(C)c2ccccc21 425522116 MAVSHQTWJQLCOL-CQSZACIVSA-N 286.419 3.708 30 20 CHED CC1(C#N)CCC(NC[C@H]2CCCC(F)(F)C2)CC1 336212208 NGOYPSPNMIRMRO-HSBZDZAISA-N 270.367 3.874 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2cccc(OC)c2)no1 191174287 ZUUYYWYXAZJZOZ-HNNXBMFYSA-N 258.321 3.599 30 20 CHED C=CCN(Cc1ccccc1F)Cc1ncccc1C 93159701 JQVGYWVGCGOYCZ-UHFFFAOYSA-N 270.351 3.717 30 20 CHED CC(C)[C@@H]1CCCCN1c1snc(Cl)c1C#N 92898629 JXWLNUBTZHJIAD-JTQLQIEISA-N 269.801 3.683 30 20 CHED C[C@@H](C(=O)N1CCC(C)(C#N)CC1)c1cc2ccccc2o1 334301182 WUVVIPRQTJORAB-CYBMUJFWSA-N 296.370 3.689 30 20 CHED C[C@@H]1CC[C@@H](NC(O)=Nc2cccc(OC(F)F)c2)C1 331291629 PQHGXKNSSGKEMT-MWLCHTKSSA-N 284.306 3.612 30 20 CHED Cc1nc(CC(C)C)sc1/C(O)=N/[C@@H]1CCC[C@H]1C#N 331098051 NBIZHLIDSVSRQD-NWDGAFQWSA-N 291.420 3.647 30 20 CHED Cc1ccc(NCC(C)(C)CCC#N)c(CN(C)C)c1 92169801 NYHNZYOFDMIFIM-UHFFFAOYSA-N 273.424 3.799 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1ccc(C#N)s1 335682534 WGJNTPXSNQUZMS-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CC[C@H](CC#N)/N=C(/O)c1coc(C2CCCCC2)n1 330447646 YODOWFNOVALTHM-GFCCVEGCSA-N 275.352 3.719 30 20 CHED OC1=Nc2cc(N=C(O)N3CC[C@@H]4CCC[C@@H]43)ccc2CC1 330274281 JVQNKFKYBHLOHL-WFASDCNBSA-N 299.374 3.641 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1sccc1Cl 520649186 YXMZBSNPIPRAMV-UHFFFAOYSA-N 284.812 3.994 30 20 CHED C=CCOCCCSCc1c(C)cc(C)nc1OC 342026611 UWPJETXFEIPMEU-UHFFFAOYSA-N 281.421 3.533 30 20 CHED CCN(C[C@@H]1CCC(C)(C)O1)[C@H](C)c1ccc(C#N)cc1 248591371 YUOWKNAGNAXTHI-PBHICJAKSA-N 286.419 3.899 30 20 CHED N#Cc1ccnc(N[C@@H]2CCC[C@H]2c2ccccc2)c1 436676170 NRSXCLRDWIQMBJ-JKSUJKDBSA-N 263.344 3.701 30 20 CHED CC(C)(C#N)CCSCC(=O)Nc1c(F)cccc1F 342019152 MDXCSXFZKIHLEA-UHFFFAOYSA-N 298.358 3.576 30 20 CHED CS[C@@H]1CCCCN([C@H](C)c2ccc(C#N)cc2)C1 246994639 WQKMNVKWBGKVNX-CZUORRHYSA-N 274.433 3.837 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(C)cc(F)c2)cc1 432736291 UBXITPYNYFLCDR-UHFFFAOYSA-N 285.318 3.951 30 20 CHED C[C@H](CC#N)NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 246870351 WAUJYGUDKXSFST-JCOFBHIZSA-N 297.185 3.515 30 20 CHED Cc1csc(NC(=O)c2cc3ccccc3o2)c1C#N 344901167 RFADSAYUHDARBJ-UHFFFAOYSA-N 282.324 3.927 30 20 CHED COc1cc(NC[C@H](C)CCC#N)cc(OC)c1Cl 602687117 IMJTZNSZTJNFQW-SNVBAGLBSA-N 282.771 3.709 30 20 CHED Cc1c(CNc2cc(F)cc(C#N)c2)cccc1[N+](=O)[O-] 600859028 ZRDXKCXPKNFTKI-UHFFFAOYSA-N 285.278 3.526 30 20 CHED Cc1c(Cl)cnc(N(C)[C@@H](C)C2(C)CC2)c1C#N 343523433 GDPDKGPLRGYVIB-JTQLQIEISA-N 263.772 3.540 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)CC1 346486931 FGKLJTKMHCZRAZ-IAGOWNOFSA-N 299.414 3.769 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC2(CCSCC2)CC1 602948650 CYGYRCYDFWTERP-INIZCTEOSA-N 286.444 3.860 30 20 CHED CC1=C(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CCC1 438038546 OAKAOEIWTJSSGI-MSOLQXFVSA-N 294.398 3.785 30 20 CHED CCOc1cccc(/C=N\CC[C@H](OCC)C(C)C)c1O 255623606 FJSMYXVQLCYDER-BRYHAGSVSA-N 293.407 3.661 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H]2CCC[C@@H](N)[C@H]2C1 252838011 ACWZWJGWIBUKKP-YESZJQIVSA-N 294.483 3.713 30 20 CHED N#C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C1CC1 601070717 SNSASGSOAVIUGA-CQSZACIVSA-N 296.399 3.539 30 20 CHED CSc1ccccc1[C@H](C)NC[C@@H](C)CCC#N 602654683 ISCMYFNMMCNXRO-STQMWFEESA-N 262.422 3.999 30 20 CHED COc1ccc(/C=C2\CCOc3ccccc3C2=O)cc1F 255072052 JOVYMGBYVZPZSJ-JLHYYAGUSA-N 298.313 3.883 30 20 CHED CC1(C)Oc2ccc(N=Cc3ccccc3O)cc2O1 255536360 LCIHWUWUOXSUEJ-UHFFFAOYSA-N 269.300 3.650 30 20 CHED N#Cc1ccc(CNCc2ccc3c(c2)CCCC3)cc1F 449735884 KGCIYCRMCPRSLG-UHFFFAOYSA-N 294.373 3.866 30 20 CHED N#Cc1ccc(COc2ccc3c(c2F)CCC3=O)c(F)c1 344572045 BFDDHHDELNTFSO-UHFFFAOYSA-N 299.276 3.544 30 20 CHED COc1ccc(/C=C2\CCc3ccc(C)cc3C2=O)cc1O 255572513 MBYZVPQWSUXBFE-XNTDXEJSSA-N 294.350 3.922 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(CCN3CCCCC3)cc2)C1 442868609 GWTDJCUZAWWSAD-IEBWSBKVSA-N 297.446 3.819 30 20 CHED CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 447581552 VDBJLZFRAVYLLO-KRWDZBQOSA-N 295.342 3.707 30 20 CHED CC/C=C(/C)C(=O)N(CCC)Cc1ccc(C#N)cc1 255771686 LNHVPGBMSLNEMJ-NSIKDUERSA-N 270.376 3.653 30 20 CHED CCN(CCC#N)[C@H](C)c1cc(C)c(OC)cc1C 602437697 JNEVYCLUWGNWIH-CQSZACIVSA-N 260.381 3.609 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)C1CCCC1 449298485 IFLYSHLUVSTVJX-JYJNAYRXSA-N 251.414 3.526 30 20 CHED CCOc1ccc(C=NOCc2cnc(Cl)s2)cc1 255435578 DJPHBTMOURSRGK-UHFFFAOYSA-N 296.779 3.746 30 20 CHED N#Cc1cccc(NC2(Cc3ccccc3)CCC2)n1 357617460 LCBRUYLEGMWENC-UHFFFAOYSA-N 263.344 3.531 30 20 CHED Cc1ncsc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 353929568 DDSKABFRGCHNOG-CVEARBPZSA-N 297.427 3.723 30 20 CHED C=CCCOCCN[C@@H]1CCCc2ccc(C)cc21 358375367 QCISMAVJDYGJEH-QGZVFWFLSA-N 259.393 3.555 30 20 CHED CC(C)(c1ccccc1)[S@](=O)Cc1ccc(CC#N)cc1 447152363 HFFGLDUMXBXLTD-OAQYLSRUSA-N 297.423 3.937 30 20 CHED C=CCC1(C(=O)NCCc2cc(F)cc(F)c2)CCCC1 449818948 OASMTOHNPPFKBR-UHFFFAOYSA-N 293.357 3.760 30 20 CHED C=CCN(Cc1ccc(OC(C)C)c(OC)c1)C1CC1 350268575 QBNMQUHWGLJUGB-UHFFFAOYSA-N 275.392 3.633 30 20 CHED C=CCCCCNC(=O)C[C@H](CC#N)c1ccccc1 356800444 XCOGFNXAZKDOQJ-INIZCTEOSA-N 270.376 3.546 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@@H](c1ccc(C)o1)N1CCCC1 532490552 VMQWJRVNGOJTCA-UAGQMJEPSA-N 290.451 3.915 30 20 CHED C=CCN(C(=O)[C@H](c1ccccc1)[C@@H](C)CC)C1CC1 537172130 AQOKYAFATWVCHU-YOEHRIQHSA-N 271.404 3.993 30 20 CHED C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(C#N)c1 611465802 UYVHTSWDGZSHRL-CHWSQXEVSA-N 293.345 3.981 30 20 CHED Cc1ccccc1-c1noc([C@H](C)ON=C2CCC2)n1 266619731 KZGGQSWWLGTJSF-NSHDSACASA-N 271.320 3.663 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC(C)(C)CCC#N 351651037 PBJPLRRVOSITPY-INIZCTEOSA-N 299.418 3.612 30 20 CHED COc1cccc2c(CNCC3(CC#N)CC3)cccc12 449298444 HWRXJFGRPQFPFO-UHFFFAOYSA-N 280.371 3.632 30 20 CHED C[C@@H](NCc1ccnc(C#N)c1)c1cccc2ccccc12 611376666 UAGOBUWCMYVKKI-CQSZACIVSA-N 287.366 3.957 30 20 CHED C=CCN(Cc1cccs1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 448642121 ZYAFOSKSDXBHSF-VNHYZAJKSA-N 275.417 3.699 30 20 CHED C[C@@H](CC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 610361332 ZTEKMZACWZNZMH-GJZGRUSLSA-N 292.382 3.929 30 20 CHED N#C[C@@H]1N(CC2CCCCCC2)CCC[C@@]12CCCCO2 447907563 SGNISIMPZZQDQF-ROUUACIJSA-N 290.451 3.884 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(OC)c1 352702055 QLFBCSFEYQCARZ-UHFFFAOYSA-N 271.360 3.519 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCO[C@H](CC)C2)CCCC1 619111381 VUDGBVCQXFFLNA-LSDHHAIUSA-N 279.424 3.587 30 20 CHED CC(C)=CCCNC(=O)c1c(Cl)cc(C#N)cc1Cl 616487192 AEQCIARCDFMMDE-UHFFFAOYSA-N 297.185 3.951 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1N[C@H]1CC[C@@H](C#N)C1 442856423 DLOCSPOCYZQXMY-YYIAUSFCSA-N 278.440 3.642 30 20 CHED C=CCNC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 445588910 OYDJIAAEULYGDI-VIFPVBQESA-N 299.201 3.808 30 20 CHED Cc1ccccc1O[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1 539494691 MHHFDDMEXVPBFP-CVEARBPZSA-N 294.398 3.985 30 20 CHED C=CCCC1(C(=O)Nc2cc(F)ccc2F)CC1 361437000 FTYVPMSBAAMKHY-UHFFFAOYSA-N 251.276 3.650 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 459262190 UIRLLCNKSGNBCH-UHFFFAOYSA-N 298.390 3.549 30 20 CHED Cc1ccc([C@H]2CCCN2CC2(C#N)CCC2)s1 450409920 LZMZUVLHWWRXPS-CYBMUJFWSA-N 260.406 3.887 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 455330489 VBCYAGPPHVKWGL-QGZVFWFLSA-N 286.419 3.714 30 20 CHED C=CCC1(C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)CCCCC1 450467607 JHQOBOOQADSVHD-HOTGVXAUSA-N 293.451 3.523 30 20 CHED CN(CC(C)(C)C#N)C(=O)NCc1cccc2ccccc12 458062278 MXCMFSCDIIRYNN-UHFFFAOYSA-N 295.386 3.531 30 20 CHED C=CCCc1noc(CO[C@@H]2CCCC[C@@H]2CC)n1 453229275 GOQLUAZFRFIPAI-QWHCGFSZSA-N 264.369 3.674 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H]1CCc2cc(F)ccc21 538291878 WVALRNHGVSAKDA-WBMJQRKESA-N 290.382 3.857 30 20 CHED C=CCCCN1CCO[C@H](c2cccc(OC(F)F)c2)C1 533932228 DMIDIKMODYFIIV-HNNXBMFYSA-N 297.345 3.628 30 20 CHED COc1cccc2ncnc(Sc3ccc(C#N)cc3)c12 543018188 SNXRWJXIZGICEA-UHFFFAOYSA-N 293.351 3.661 30 20 CHED CCc1cnccc1[C@@H](C)NCc1ccc(C#N)cc1C 614406217 XPLKDKRREIMGSF-CQSZACIVSA-N 279.387 3.675 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1cc(C)ccc1OC 458719622 BDHDJXFGYDKJLE-UONOGXRCSA-N 290.407 3.719 30 20 CHED Cc1cccc([C@@H]2CCN(C(=O)C3(C#N)CCCCC3)C2)c1 273125691 SDBNXPJYXHBQJN-QGZVFWFLSA-N 296.414 3.785 30 20 CHED C=CCC[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)C1CC1 540185256 HXINWPOLXRXOOX-BZSNNMDCSA-N 255.405 3.952 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H]2C(C)C)c1 454586436 TURWVCYIRTWDCG-HNNXBMFYSA-N 274.364 3.514 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC1(C#N)CCC1 451189874 RWOMAMXOOOFZHW-BFYDXBDKSA-N 268.404 3.947 30 20 CHED C=C(CNC(=O)c1cc2nc(C)ccc2o1)c1ccccc1 360211772 GOILAIYUUDEBCG-UHFFFAOYSA-N 292.338 3.579 30 20 CHED Cc1nccn1CCS[C@H](C)c1ccc(C#N)cc1 271002192 HJYRAONCIBJEKK-GFCCVEGCSA-N 271.389 3.558 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1c1nccc(C)c1C#N 543137568 VXLIHYHZFOXIDX-DZGCQCFKSA-N 257.381 3.667 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 451328623 LEFFGOFANLEWMY-OAHLLOKOSA-N 271.404 3.832 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 451225431 DUAFAUQLUPMMHH-ATEUNZGCSA-N 297.185 3.720 30 20 CHED C=CCn1c(C)cc(C(=O)CSC2CCC2)c1C 450989882 HDOIGAZGSJRUBL-UHFFFAOYSA-N 263.406 3.759 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2C[C@H]3CCC[C@@H](C3)C2)cc1 367711069 XGAFGSOFDFRGCS-XIRDDKMYSA-N 284.403 3.599 30 20 CHED C=C(CC)CNC(=O)Cc1cc(Cl)cc(Cl)c1 627684934 DJLWRLZENDBGEO-UHFFFAOYSA-N 272.175 3.618 30 20 CHED CCN(CCN[C@H]1CCCCc2cc(C#N)ccc21)C(C)C 360842289 VUOZBADRAORWCM-IBGZPJMESA-N 299.462 3.646 30 20 CHED C=C(C)CCNC(=O)N1CCC[C@H]1c1ccc(F)cc1C 455331839 XFPNZJRBDVCUPZ-INIZCTEOSA-N 290.382 3.947 30 20 CHED CC(C)(C)Cc1noc(/C=C/c2cccc(C#N)c2)n1 545746250 GJIRECYOVHBIBJ-BQYQJAHWSA-N 267.332 3.700 30 20 CHED C=CCCc1ccccc1NC(=O)N1CCC[C@H]1CF 455388477 VDYUOTWDWUZPPS-AWEZNQCLSA-N 276.355 3.771 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(C#N)cc1 278778779 PRJGNXKFLBTHSQ-FJIDUMEYSA-N 284.403 3.557 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 464753690 DEMYYORNRDINBY-DNVCBOLYSA-N 298.430 3.641 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)OCC 270367103 SSEILYGQBZBEDZ-XJKSGUPXSA-N 287.359 3.534 30 20 CHED C[C@@H](CN(C)Cc1ccc(F)c(C#N)c1)c1ccccc1 468268876 CSLKZVBYXQKVNX-AWEZNQCLSA-N 282.362 3.933 30 20 CHED C=CCCO[C@@H](C)c1nc(COc2ccccc2C)no1 273838551 MPNJWMYJTGAKQC-ZDUSSCGKSA-N 288.347 3.611 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1ccccc1OCC 466325967 PNNVWIZCASXOFS-HNNXBMFYSA-N 290.407 3.581 30 20 CHED C=CCCOCC(=O)N(CC)Cc1ccc2ccccc2c1 620184941 LWUHRNKPZBLAJX-UHFFFAOYSA-N 297.398 3.781 30 20 CHED COC[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N 463258625 QXTJIAYWVUUXMJ-GFCCVEGCSA-N 284.384 3.747 30 20 CHED CC#CCCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 467494655 KUJMNULHUBAMOO-LBPRGKRZSA-N 269.310 3.639 30 20 CHED N#CC1(CCCSc2ncccc2Cl)CCOCC1 280976114 LICOVBJVCHVJLW-UHFFFAOYSA-N 296.823 3.928 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](c2cccc(F)c2)C1 468013497 HIFJZBXKRQBIJQ-WMLDXEAASA-N 275.367 3.744 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)c1cccc(C#N)c1 461901890 JCBYTWCSTPLWIU-FRFSOERESA-N 284.403 3.747 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2ccc(C#N)cc2F)C1(C)C 463477439 XJAWHUTWJUZNBZ-HUUCEWRRSA-N 276.355 3.701 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 281213467 CNXHOKSBHKBUPN-CQSZACIVSA-N 285.391 3.964 30 20 CHED Cc1cc(C)cc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 461726309 FITNUYZTXWSROL-CQSZACIVSA-N 278.355 3.917 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(OCc2cccs2)c1 465105196 WXUVWTQTGTURFQ-LBPRGKRZSA-N 287.384 3.631 30 20 CHED C=CCCCC(=O)N(CCCC)Cc1ccccc1O 282592994 XFHFHHSDDJEMAJ-UHFFFAOYSA-N 275.392 3.877 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCCc2occc2C1 288977324 ZDXVJPMAMMVJOW-ZDUSSCGKSA-N 266.344 3.661 30 20 CHED C=C[C@H](CC(=O)Nc1cc(C2CC2)n(C)n1)c1ccccc1 290990254 SLLSGYQRMCSFLE-CYBMUJFWSA-N 295.386 3.596 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)c2ccncc2)s1 297814884 PNSCUYZVXGBIIS-UHFFFAOYSA-N 285.372 3.565 30 20 CHED C=CCC(CC=C)C(=O)N1CC2(CCC2)[C@@H]1C1CC1 291091986 KVXIXRHBKAXLCJ-HNNXBMFYSA-N 259.393 3.546 30 20 CHED C=CCCCSCC(=O)N(CC)Cc1cccc(F)c1 477008844 XGIZDHXXTGXMAQ-UHFFFAOYSA-N 295.423 3.874 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC 298586200 IMSDHSYNOSVBFV-UHFFFAOYSA-N 292.335 3.534 30 20 CHED CC#CCN(C)C(=O)c1cc(C2CC2)nc2ccc(C)cc12 294348259 AWEBLLZKPVODBH-UHFFFAOYSA-N 292.382 3.516 30 20 CHED C=CCCCCCCNC(=O)CC[C@@H]1CCCCO1 805218637 IENPZWQNSKDUOX-HNNXBMFYSA-N 267.413 3.588 30 20 CHED CC1(C)[C@H]2CN(c3cc(C#N)ccc3C(F)(F)F)C[C@H]21 475507372 JIAXMSGMZAAZNC-TXEJJXNPSA-N 280.293 3.669 30 20 CHED C#CCCCCCC(=O)N[C@@H](C#N)c1ccc(CC)cc1 809256655 AEECBMDFINHNRD-KRWDZBQOSA-N 282.387 3.514 30 20 CHED CC(C)[C@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 292046941 GEXFITVJNBHNMM-HNNXBMFYSA-N 278.783 3.847 30 20 CHED N#CCSCCCOC(=O)c1ccc2ccccc2c1 805337842 WNNZLVKGERLIGL-UHFFFAOYSA-N 285.368 3.643 30 20 CHED CCOC1(C)CCN(c2c(Cl)cccc2C#N)CC1 291762899 GTVIOGQMVCIQRM-UHFFFAOYSA-N 278.783 3.607 30 20 CHED Cc1ccc(CC2CCN(C(=O)C(C)(C)C#N)CC2)cc1C 294738223 PGICAPNSDOJBQV-UHFFFAOYSA-N 298.430 3.634 30 20 CHED C=CCC[C@@H](CC)NCc1noc(-c2cccs2)n1 295085768 SORQCQLLXYGKBE-LLVKDONJSA-N 277.393 3.633 30 20 CHED CC[C@H](C(=O)N[C@H](C#N)C(C)C)C1CCC(C)CC1 470158023 BALDKNZYXAMVCX-PFSRBDOWSA-N 264.413 3.503 30 20 CHED CSC1(C=NNc2nc3ccccc3s2)CCC1 800804061 QWDYCGARPNWSJY-UHFFFAOYSA-N 277.418 3.980 30 20 CHED Cc1cccc2cc(C(=O)O[C@H](C)CC#N)sc12 808986532 RLBIQTQJCAIUKI-SNVBAGLBSA-N 259.330 3.669 30 20 CHED Cc1csc(NC(=O)N2CC3(CCCCC3)C2)c1C#N 563355831 MARAJFQEJIVDOC-UHFFFAOYSA-N 289.404 3.726 30 20 CHED C[C@H]1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)C(=O)c2ccccc21 809158787 DELCFANKZDPRCX-DOQDJBIESA-N 295.294 3.684 30 20 CHED CCO[C@H]1CC(=NNc2cccc(Cl)c2)[C@H]1SC 807943674 YTEKIEBQCCIAEE-QWHCGFSZSA-N 284.812 3.648 30 20 CHED N#CCC[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccccc1 295787727 RWHARSZXQGULAC-IAGOWNOFSA-N 284.403 3.723 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(F)cc3F)no2)s1 560005289 XSQQRUQEWOADCK-UHFFFAOYSA-N 289.266 3.615 30 20 CHED C[C@@H](C=Nn1c(S)nnc1-c1ccccc1)C(C)(C)C 800806318 DKUDDCIBXSEMHE-NSHDSACASA-N 288.420 3.750 30 20 CHED CC(C)(C)c1cnc(COC(=O)CCCCCC#N)s1 805939564 JWIGJUTWKMBGLX-UHFFFAOYSA-N 294.420 3.958 30 20 CHED C#C[C@@H](Nc1nc(C)cc(C)n1)c1ccc(Cl)cc1F 804807458 GMEKVBFLYCDONU-CQSZACIVSA-N 289.741 3.672 30 20 CHED Brc1ccc(C=NOCCC2CC2)s1 814246945 JNGYAENILVBTJE-UHFFFAOYSA-N 274.183 3.661 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2ccnc(F)c2)CS1 814902197 IGKPGCCGXOAJOV-NSHDSACASA-N 267.373 3.540 30 20 CHED C[C@@H](NN=C1CCCC[C@H]1CCCO)c1ccccc1 814815142 ODRNFNXFKSFNJJ-ZBFHGGJFSA-N 274.408 3.656 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 480560609 YGEGINQFFSKVMK-UHFFFAOYSA-N 283.331 3.573 30 20 CHED Cc1cc2cc(C=NNC[C@H]3CCSC3)oc2cc1C 811663084 ZFZGKRJCBDXJPD-CYBMUJFWSA-N 288.416 3.726 30 20 CHED C=CCCCCCN(C)C(=O)[C@H](N)c1cccc(Cl)c1 648085621 PIUNJZHQWPHDNH-OAHLLOKOSA-N 294.826 3.545 30 20 CHED N#CCCCCNc1cc(Br)c(C#N)cc1F 568242512 LPTXXVWVVBBJJT-UHFFFAOYSA-N 296.143 3.566 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1ccc(OC)c(O)c1 811699079 PRVDZYJDCSMZFL-CSKARUKUSA-N 298.338 3.696 30 20 CHED Clc1cccc(NN=C2COc3ccccc32)c1 814693740 FVPQOPPUXJIJIE-UHFFFAOYSA-N 258.708 3.549 30 20 CHED C=CC[C@@H](C(=O)OCC(=O)C(C)(C)CC)c1ccccc1 811189773 FPRLQBOSYWLDFF-OAHLLOKOSA-N 288.387 3.895 30 20 CHED C=CCC(F)(F)C(=O)N(CCc1ccc(F)cc1)C1CC1 815641075 OUFAUYDDTJKRFN-UHFFFAOYSA-N 297.320 3.571 30 20 CHED Clc1cccnc1NN=Cc1cccc2cc[nH]c12 814810346 IVDRNPNOAYZYAM-UHFFFAOYSA-N 270.723 3.662 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1cccc(C2CC2)c1 814882792 OJDVURILIVTZCY-UHFFFAOYSA-N 289.382 3.949 30 20 CHED C#CCCCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 810075115 DYEVHGRJKKDQSH-HXUWFJFHSA-N 293.410 3.982 30 20 CHED C=CCOc1cccc(CN[C@H](C2CC2)C(F)(F)F)c1 579519797 UCEZCKZJXXJTFJ-CQSZACIVSA-N 285.309 3.682 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@@H]2CCCC[C@@H]21 570040330 NFAXMKGWQWZSRB-ILXRZTDVSA-N 264.413 3.705 30 20 CHED C(=NOCCC1CC1)c1cccc(-c2ccccn2)c1 814246940 JIYWSZXXNVIXQK-UHFFFAOYSA-N 266.344 3.899 30 20 CHED C=CCCCCNc1ccc(CC(=O)NC(C)C)cc1 576079793 QVVIXCZMYLHEPA-UHFFFAOYSA-N 274.408 3.522 30 20 CHED CN(C)c1ccc(CSc2ccccc2C#N)cc1 814751484 MLYYMCLMYXJUBQ-UHFFFAOYSA-N 268.385 3.917 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCC1CCCC1 482004238 AKNNUQREBYJCAJ-UHFFFAOYSA-N 278.440 3.955 30 20 CHED N#C[C@@H]1CCCC(=NNc2nccc3sccc23)C1 814808734 HHJATTYAGXTFDR-SNVBAGLBSA-N 270.361 3.778 30 20 CHED C=CC[C@@H]1CCCN([C@@H](C(=O)O)c2cccc(Cl)c2)C1 656759349 DDNZITGXFGPRNP-IUODEOHRSA-N 293.794 3.754 30 20 CHED COc1ccc2c(c1)C(=NOCCSC)CCCS2 814922118 VBMGJBWOGISIMW-UHFFFAOYSA-N 297.445 3.665 30 20 CHED CC(C)(C)c1cnc(C=NOC/C=C\Cl)s1 814934005 HVXXPHFUPWXDEW-NAJMZCTISA-N 258.774 3.544 30 20 CHED CC(C)(C)[C@@H]1CCCN1CCCOc1ccc(C#N)cc1 729474880 OXVQABYZWFZRAL-KRWDZBQOSA-N 286.419 3.838 30 20 CHED C=C[C@@H]1CCCCN1C(=O)/C=C/SCc1ccco1 493754851 MFGAOBOJUTWOCY-RUNBWSAHSA-N 277.389 3.594 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](C)CCC(C)C)cc1 497666023 MDFUZMOOEIZYHU-AWEZNQCLSA-N 275.392 3.806 30 20 CHED C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CC2(CCC2)O1 571320701 NANSFBBZTGCBMY-HNNXBMFYSA-N 298.430 3.631 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C2(CF)CCC2)cc1 574521556 XSVJMLSXZPIOHR-UHFFFAOYSA-N 274.339 3.566 30 20 CHED Cc1cc(C#N)ccc1CN1CCC=C(c2ccco2)C1 586773592 MRAIIZZHQXPNCN-UHFFFAOYSA-N 278.355 3.749 30 20 CHED C=CCOc1cccc(NC(=O)/C=C\c2ccc(O)cc2)c1 588468595 QJHBAFFYUQLLAU-FLIBITNWSA-N 295.338 3.609 30 20 CHED C=CCCOC(=O)c1cnn(-c2ccccc2)c1C(C)C 729072455 NFWGPTOFWDXEMC-UHFFFAOYSA-N 284.359 3.729 30 20 CHED Cc1cc[nH]c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 901264620 JARUKNDUPSLOPD-SECBINFHSA-N 299.399 3.633 30 20 CHED CC(C)C[C@H](C)CNC1(c2cccc(C#N)c2)CC1 499610031 ZPYMAVBVSALTQU-AWEZNQCLSA-N 256.393 3.819 30 20 CHED C=CCCCCCN1CC(C)(C)[C@@H]1[C@H]1CCCO1 581635972 BWWVQIFLEASWSZ-CABCVRRESA-N 251.414 3.622 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(Cl)cc1C(=O)O 825665351 YXPJNXUIJOINMQ-UHFFFAOYSA-N 294.734 3.712 30 20 CHED C=C1CCC(c2nc(Cc3cccs3)no2)CC1 904339591 ZXDXFWHRJVFAFM-UHFFFAOYSA-N 260.362 3.936 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccnc(OC3CCC3)c2)no1 583778162 FKZQAXXRYDZRRN-KRWDZBQOSA-N 299.374 3.917 30 20 CHED C=CCCNC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 661572198 WYGJIIJREQNOGJ-UHFFFAOYSA-N 274.408 3.702 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@]2(C)CC2(Cl)Cl)c1 828798535 LZSJVFDVVIFVRL-CYBMUJFWSA-N 297.185 3.757 30 20 CHED COc1ccc([C@@H](C)NCC(C)(C)C#N)cc1Cl 903100169 IPEJXCVCOMPWBU-SNVBAGLBSA-N 266.772 3.549 30 20 CHED COc1cc(C(=O)O)ccc1NN=C1CCCC12CCC2 834967053 SACZGCOTGAHCGY-UHFFFAOYSA-N 288.347 3.516 30 20 CHED COc1cccc(NN=Cc2c[nH]c3ccc(OC)cc23)c1 730144624 DDFOCSUSLUYUBP-UHFFFAOYSA-N 295.342 3.631 30 20 CHED C=C[C@H](CC)CC(=O)N(C)c1cccc2ncccc12 904069891 QBGXPSHWFYLPAJ-CYBMUJFWSA-N 268.360 3.800 30 20 CHED C=CC[C@@H](C(=O)OCCc1ccc(C)cn1)c1ccccc1 835907317 RMASMTLYCYOVLA-GOSISDBHSA-N 295.382 3.836 30 20 CHED CCCCCCCC(=O)N1CCS[C@H](C)[C@@H]1C 735643567 DEEONXKSOSRPQJ-QWHCGFSZSA-N 257.443 3.699 30 20 CHED CCSc1cccc(/C=C2/CCn3ccnc3C2=O)c1 901536038 OQTDXESCCHISOQ-RAXLEYEMSA-N 284.384 3.665 30 20 CHED C#CCCCC(=O)NCc1ccc(C)c2ccccc12 839811578 AWPLZVMVBMNTGO-UHFFFAOYSA-N 265.356 3.568 30 20 CHED C=C(Cl)CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 736240905 UNEMOFUZRZXVAA-CVEARBPZSA-N 285.774 3.812 30 20 CHED C=CCSCCNc1nc2ccc([N+](=O)[O-])cc2s1 731209729 XDBSMXFXXSNVLF-UHFFFAOYSA-N 295.389 3.536 30 20 CHED CCCOc1ccc(/C=C2/C(=O)c3nccn3[C@@H]2C)cc1 901560260 JKIPYDNNFZZGQZ-PKVLTRFUSA-N 282.343 3.513 30 20 CHED C=CCC1(c2nc([C@]3(C)CCCO3)no2)CCCCC1 834680623 CVDCPVKXEJTOTB-HNNXBMFYSA-N 276.380 3.873 30 20 CHED Cn1ccc2cccc(N=Cc3cc([N+](=O)[O-])ccc3O)c21 588564448 KWUGGJODRNZMEU-UHFFFAOYSA-N 295.298 3.543 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNC(=S)Nc2ccccc2)o1 732763630 NJKMKYSZSWVUNQ-BXUZGUMPSA-N 299.399 3.724 30 20 CHED C=CCCCOC(=O)/C=C\c1ccc(Cl)s1 735526115 VCIOURRBRFSHOK-VURMDHGXSA-N 256.754 3.924 30 20 CHED CC(C)(C)C#CC(=O)NCCCCc1ccc(Cl)s1 837607763 OIXRLCJGTOBUHG-UHFFFAOYSA-N 297.851 3.890 30 20 CHED CCOc1ccc(C=NOCc2cccc(C)c2)cc1 836495134 WUNVKBIPUJVIRX-UHFFFAOYSA-N 269.344 3.944 30 20 CHED CC(=NNc1cc(Cl)ccc1C)C1CCOCC1 901317048 FWNBIMIEIMIDTE-UHFFFAOYSA-N 266.772 3.863 30 20 CHED C#CCCCC(=O)N1CCCc2ccc(Cl)c(F)c21 839437315 FUQXSNBTYNEPLE-UHFFFAOYSA-N 279.742 3.562 30 20 CHED C=C(Br)CN1CCc2ccccc2[C@@H]1CC 734058601 UCSNJCJVHMMLCO-AWEZNQCLSA-N 280.209 3.904 30 20 CHED C=CC[C@H](NC(=O)/C=C(\C)c1ccccc1)c1ccncc1 734234244 KFJXLNSJDSLNFI-JJJPLKNQSA-N 292.382 3.919 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C(C)(C)c1cccc2ccccc12 594092279 SNNBCFLREZXCES-HNNXBMFYSA-N 294.398 3.878 30 20 CHED C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccc(Cl)s1 597907850 IPAPKOFFUJOIIQ-MNOVXSKESA-N 296.823 3.657 30 20 CHED N#Cc1ccc(-c2cc3c4c(c2)CCC(=O)N4CCC3)s1 592987784 BUWJJEBOXXNTMJ-UHFFFAOYSA-N 294.379 3.512 30 20 CHED CCC#C[C@H](C)Sc1nnc(-c2cccc(C)c2)n1C 671154811 MJXJVALPBOBLTH-ZDUSSCGKSA-N 285.416 3.685 30 20 CHED CC#CCOC(=O)CCC(=O)c1ccc(CCCC)cc1 744825223 HVLAFRWZZGMQNL-UHFFFAOYSA-N 286.371 3.559 30 20 CHED N#Cc1ccc(CCN(C2CCCC2)C2CC2)cc1 595310756 FECQZBYWTJVTNW-UHFFFAOYSA-N 254.377 3.508 30 20 CHED CC1(C)C[C@]1(C(=O)N1CCC(CC#N)CC1)c1ccccc1 597498215 RLAPFMIGXPDVNA-LJQANCHMSA-N 296.414 3.507 30 20 CHED CCCCCCCCC(=O)N(C[C@H]1CCOC1)C1CC1 915629992 RTRGMUKLMCDPPJ-OAHLLOKOSA-N 281.440 3.765 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC1(SC)CCOCC1 595028793 VHASLDHPXWEMIF-HUUCEWRRSA-N 283.481 3.623 30 20 CHED Cc1cc(/C=C2\COc3c(cccc3C(C)C)C2=O)n(C)n1 841485410 JVOJAOOTSRCENK-UKTHLTGXSA-N 296.370 3.511 30 20 CHED Cc1cc(C#N)ccc1N[C@H]1CCCC12CCOCC2 846755573 JLRSAWMLSXSYET-INIZCTEOSA-N 270.376 3.628 30 20 CHED COc1csc(C(=O)OCCC2(C#N)CCCCC2)c1 840251471 KVAAVNNYMCSWON-UHFFFAOYSA-N 293.388 3.778 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 598462916 UNPVXVHMZOKFLW-RLFYNMQTSA-N 298.430 3.916 30 20 CHED C#CCCOC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 748492173 YEECADHPSZQCER-ZHACJKMWSA-N 282.261 3.675 30 20 CHED CCC[C@@H](C)CC(=O)OCc1cc(C#N)ccc1F 748958605 NRAHDNLEPBBVPW-LLVKDONJSA-N 263.312 3.567 30 20 CHED CC(=NNc1cnccn1)c1ccc(C(C)(C)C)cc1 912961567 IQCCRZXCNICHQA-UHFFFAOYSA-N 268.364 3.610 30 20 CHED CCC[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CCC1 594368878 QUXGMETYIPGVAO-KBXCAEBGSA-N 298.430 3.822 30 20 CHED CC(CCN(C)C)=NNc1ccc(Cl)cc1Cl 915952973 CVZCSJAKONCLPW-UHFFFAOYSA-N 274.195 3.733 30 20 CHED Cc1ccc(C=NNCc2cc(F)ccc2F)c(C)c1 915979111 OSTSZUGOISXCJV-UHFFFAOYSA-N 274.314 3.705 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]2c2ccccc2)s1 594995351 OKWOGBATZHJEPO-HZPDHXFCSA-N 268.385 3.656 30 20 CHED C=C(Br)CN(C)[C@H](CC)Cc1ccccc1 741811258 NJARYTYMFZURBS-CQSZACIVSA-N 282.225 3.848 30 20 CHED CCCCNN=Cc1cc(Cl)ccc1Br 743437865 OTQVUSRODUXOJN-UHFFFAOYSA-N 289.604 3.826 30 20 CHED C#CC[C@@H](NCc1cccc(CC)c1O)c1ccccc1 848899102 KTJBFMNZEUQRAV-GOSISDBHSA-N 279.383 3.809 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)CCCF 597180504 PYGSAYUVTXXMSM-LLVKDONJSA-N 280.368 3.627 30 20 CHED C#C[C@H](OC(=O)CCCC#N)c1cccc(C(F)(F)F)c1 842409688 RKKXTZCPWHPNNX-ZDUSSCGKSA-N 295.260 3.617 30 20 CHED C=CCNC(=S)NCC1(c2ccccc2)CCCCC1 914773888 HAIUPQXZXKAXPQ-UHFFFAOYSA-N 288.460 3.539 30 20 CHED Fc1ccc(NN=Cc2nccc3ccccc23)c(F)c1 740760525 WIIAZBNGLIRTKR-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C#CC1CCN(C(=O)[C@@H](CCC)CC2CCCC2)CC1 843707091 MFHAEHZAGLHMAS-KRWDZBQOSA-N 275.436 3.855 30 20 CHED C/C(=C/C(=O)O[C@H](C)C#N)c1cccc(C(F)(F)F)c1 745484467 QEKSIKSBHUSJLM-ABRRARGCSA-N 283.249 3.564 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1CCCc2sccc21 596194232 HEWQDRQQSDUQRT-ZDUSSCGKSA-N 269.373 3.813 30 20 CHED N#CCC1(CSc2nnc(-c3ccccc3F)o2)CC1 594882386 UAKSXEHMZCVLAR-UHFFFAOYSA-N 289.335 3.662 30 20 CHED CC[C@H](NCCCOC(C)(C)C)c1ccc(C#N)cc1 595077447 SBPBLCZCEUOGBC-INIZCTEOSA-N 274.408 3.804 30 20 CHED C#C[C@H](OC(=O)[C@H]1CC12CCCC2)c1ccc(F)cc1 842411617 LOSWRENWLLOMMQ-CABCVRRESA-N 272.319 3.624 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 842819748 YTDDPWQWXMINNH-XJFOESAGSA-N 263.381 3.684 30 20 CHED C#CCN(C(=O)Nc1c(C)cccc1C(C)C)C(C)C 929193025 OZPUYHMBFGOBGP-UHFFFAOYSA-N 272.392 3.994 30 20 CHED C=CCCN(C)C(=O)Nc1nc2c(s1)CCCC2(C)C 685690632 APBNNALBDOBYKP-UHFFFAOYSA-N 293.436 3.797 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccc(SC(F)F)cc1 844479735 RCDNHOFXYZVKKE-MRVPVSSYSA-N 288.319 3.629 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(C)(C)c2ccccc21 684929270 GWQITAMHGNVJPQ-ZDUSSCGKSA-N 272.392 3.849 30 20 CHED Cc1cc(C)cc(COC(=O)c2cc(C#N)cs2)c1 752587070 KHKJBEZVIALZBZ-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C=CCSCCN[C@H](c1ccc(C)cc1)c1ccccn1 925349464 CBPJQAVHFGNHGK-GOSISDBHSA-N 298.455 3.988 30 20 CHED Cc1cccc(COC(=O)c2ccc(Cl)c(C#N)c2)c1 754922840 TUTBHQUWGWSZQQ-UHFFFAOYSA-N 285.730 3.877 30 20 CHED C[C@H](CC=NNc1ccc(C(=O)O)cc1)c1ccccc1 755454712 ILFVDRUGVQAJKW-CYBMUJFWSA-N 282.343 3.976 30 20 CHED C=C1CN(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)C1 929978727 HTKSRHMROBHXIN-UHFFFAOYSA-N 271.147 3.706 30 20 CHED CCCCCCCCNC(=O)[C@@H](C)C(F)(F)F 754841205 HMDGGZYERRJNBO-SNVBAGLBSA-N 253.308 3.662 30 20 CHED C[C@@H](OC(=O)CCC1CCC1)c1cccc(C#N)c1 750696221 DMIOATMNCZHLBM-GFCCVEGCSA-N 257.333 3.743 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(C#N)c(Cl)c1 851205510 GSDDNIYWJFBSIV-JTQLQIEISA-N 290.750 3.697 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(N(C)C)cc1 854163823 IOGXIOIAOKGUSX-UHFFFAOYSA-N 275.396 3.619 30 20 CHED N#C[C@H](OC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C1CCCCC1 859855504 RMZZUWPYEMQGNR-WNRNVDISSA-N 295.382 3.588 30 20 CHED COc1cc(F)cc(NN=C/C=C/c2ccccc2)c1 759210555 RCWIUNBYWLITBY-REBVZNNKSA-N 270.307 3.945 30 20 CHED CCCCCCCCNC(=O)C[C@@H](C)n1nc(C)cc1C 754854443 OBIYNBQWHCWSEG-MRXNPFEDSA-N 293.455 3.928 30 20 CHED CCCCC[C@H](CC)C(=O)N1CCC[C@@H](CC#N)C1 855254215 GNVQRWACEJHMED-GJZGRUSLSA-N 264.413 3.745 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1csc(COC)n1 851142441 QLRHKOKGQVLOPO-DGCLKSJQSA-N 295.404 3.581 30 20 CHED C=CCN(C(=O)[C@@H](OC1CCCC1)c1ccccc1)C1CC1 754417348 SROPXGLDKSYXAL-SFHVURJKSA-N 299.414 3.864 30 20 CHED C#CC[C@H](NC(=O)NCc1ccc(C)cc1)c1ccccc1 756922670 WPSXTUCRDUVURD-SFHVURJKSA-N 292.382 3.559 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc2c(s1)CCC2 851213919 KXFLJCXBLDDAGG-JTQLQIEISA-N 277.389 3.722 30 20 CHED C#CC[C@@H](NC(=O)c1sc(CC)nc1C)c1ccccc1 757596832 DUOKYNRHDGTQGF-CQSZACIVSA-N 298.411 3.508 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC2(CCCCC2)C1 933552267 IXCKZXKMSCIQCK-UHFFFAOYSA-N 282.387 3.663 30 20 CHED FC(F)(F)c1ccccc1C=NO[C@@H]1CCCCO1 755813282 DIWMTLSIWKKQLX-GFCCVEGCSA-N 273.254 3.583 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(-n2cccn2)cc1C 935601326 GGXSEUDBNGZNSS-CQSZACIVSA-N 283.375 3.722 30 20 CHED Cc1ccc(C(=O)O[C@H](C#N)C(C)C)cc1C(F)(F)F 860517755 ANDQURJTNBJEGC-GFCCVEGCSA-N 285.265 3.719 30 20 CHED CCO[C@@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)C(C)C 761142401 FTQKTSMSSNXAGO-CJNGLKHVSA-N 289.375 3.614 30 20 CHED CC(C)(C#N)CCCCOC(=O)CCc1cccs1 768396091 ZBIULIBDQCMOFU-UHFFFAOYSA-N 279.405 3.944 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C/C(=C/C)CC 765491553 URARBXOSZWMHBP-AJKOCGKOSA-N 285.387 3.780 30 20 CHED C#CCCCN[C@@H](CC)c1cc(Cl)ccc1OC 766223644 RNNFPIZMKCNFJB-AWEZNQCLSA-N 265.784 3.803 30 20 CHED CCc1noc(C)c1C(C)=NNc1ccc(C)cc1 769796266 UUNNVKCXIUCJKC-UHFFFAOYSA-N 257.337 3.690 30 20 CHED CCOC[C@H]1CCCCN1CCCCC1(C#N)CCC1 930698169 XQZCXASCIISPTL-MRXNPFEDSA-N 278.440 3.742 30 20 CHED C#C[C@H](OC(=O)c1cc(C(C)C)nc2ccccc12)C1CC1 767528028 ZQJAELUHZREIHE-SFHVURJKSA-N 293.366 3.927 30 20 CHED Fc1ccc(CC=NOCc2cccnc2)c(Cl)c1 766452349 FXTSULCICXCLJB-UHFFFAOYSA-N 278.714 3.619 30 20 CHED CC(C)C1(C)CCN(C(=O)Nc2sccc2C#N)CC1 864263261 VMPZTANTTBZRTF-UHFFFAOYSA-N 291.420 3.910 30 20 CHED N#CCOc1cccc(CNCc2ccc3occc3c2)c1 1117110396 KDQNGYZJYZACOH-UHFFFAOYSA-N 292.338 3.625 30 20 CHED C#CCCc1noc(CSCc2cccc(Cl)c2)n1 762002801 ZIRNKFQUSISZJG-UHFFFAOYSA-N 292.791 3.722 30 20 CHED C#CCCc1noc(C(C)(C)c2ccc(CC)cc2)n1 762009372 QZCANPMOZIYSOM-UHFFFAOYSA-N 268.360 3.524 30 20 CHED C#CCCCCC(=O)OCC(=O)c1oc2ccccc2c1C 773640692 NYEUBOQIOARVHY-UHFFFAOYSA-N 298.338 3.661 30 20 CHED CC[C@H](C)N(CC)CC[C@](C#N)(C(C)=O)c1ccccc1 878884894 OIBMWXBNAZQZIA-YJBOKZPZSA-N 286.419 3.547 30 20 CHED COc1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1C 773139439 JIJPIBLQRBVEOO-AUWJEWJLSA-N 282.314 3.965 30 20 CHED N#CCc1ccc(COC(=O)CCCC(F)(F)F)cc1 776108083 RGXZKTIHKODCSQ-UHFFFAOYSA-N 285.265 3.528 30 20 CHED C[C@@H](CCC#N)CNc1ccc(OCC(F)(F)F)cc1 876820921 WAZSONJBTQLUFA-NSHDSACASA-N 286.297 3.979 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc(Cl)cc1F 773163639 XUMATWFWPRECQF-MLPAPPSSSA-N 298.704 3.843 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(F)cc1F 1116632983 JEPPROLIPFXOLM-HWPZZCPQSA-N 294.345 3.513 30 20 CHED COC[C@H](C)NN=Cc1c2ccccc2cc2ccccc12 777893423 QNKQOUBHTNQEDQ-AWEZNQCLSA-N 292.382 3.951 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccncc2CC)cc1 773430459 ZNWOTUZYKVIFID-HNNXBMFYSA-N 294.398 3.507 30 20 CHED CC(C)(C#N)CCOC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 776375874 OUKKNLBGRYFPRV-QWRGUYRKSA-N 291.313 3.838 30 20 CHED CCOc1cc(C=NOC2CCCC2)ccc1OC(F)F 774597673 VKHUXNLJLGZTGP-UHFFFAOYSA-N 299.317 3.980 30 20 CHED CCCOc1ccc(NC[C@@H](C)CCC#N)cc1OC 877661428 BZJODDUAEXYGRZ-ZDUSSCGKSA-N 276.380 3.836 30 20 CHED N#Cc1ccc(F)c(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 773030352 PBCHIQFXEVJZEL-BHOIQGAFSA-N 284.378 3.612 30 20 CHED COc1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)ccc1C 773124775 KRHLWXZAFJPJMK-ALCCZGGFSA-N 294.350 3.835 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2ccon2)cc1 886955589 APZNEVFEERALNO-UHFFFAOYSA-N 270.332 3.882 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=Nn1cnc2ccccc21 773191440 SAFCIEAVHMVUBE-KGLIPLIRSA-N 253.349 3.863 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N(C)CCC 772661750 CFWDZTAUHQRCHK-UHFFFAOYSA-N 252.402 3.517 30 20 CHED C[C@H](NC(=O)c1ccsc1Cl)c1ccc(C#N)cc1 1124915659 OFUCOEDPRCWSAK-VIFPVBQESA-N 290.775 3.764 30 20 CHED N#CC1(CC(=O)Nc2c[nH]c3ccccc23)CCCCC1 888114953 GTXGJZAGIPNKLV-UHFFFAOYSA-N 281.359 3.971 30 20 CHED CC[C@@H](Sc1cc(C#N)nc(C)n1)c1ccccc1 882085531 WYDURRHZZAKTGE-CQSZACIVSA-N 269.373 3.900 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1csc(C#N)c1 1126755984 JJYYLGBVVNDNLL-GXFFZTMASA-N 276.405 3.564 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(F)cc1C#N 1126777415 DSQUFVAEOMBQGC-GFCCVEGCSA-N 282.318 3.748 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(Cl)c1 788360346 INWYKGFDUGQJRW-XBXARRHUSA-N 283.714 3.813 30 20 CHED CCCCCCCOC(=O)[C@H]1CCC(=O)c2cccn21 789241562 XYHLQTFULGEQOS-CQSZACIVSA-N 277.364 3.519 30 20 CHED C=C[C@@H](C(=O)NCC1(C#N)CCCCC1)c1ccccc1 1123928293 ODVAKWDHCDXTJE-MRXNPFEDSA-N 282.387 3.546 30 20 CHED N#Cc1nc(N[C@@H](c2ccncc2)C2CC2)sc1Cl 897423292 IFTKUSTUSCKLNP-LLVKDONJSA-N 290.779 3.626 30 20 CHED CC(C)(C)[C@@H]1CCCC(=NN[C@@H]2CCCOC2)CC1 780256886 DHZWGOZPPTXBGE-UKRRQHHQSA-N 266.429 3.737 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccccc1C(=O)O 783817356 SEIWQYPPGRDFND-NEPJUHHUSA-N 260.337 3.609 30 20 CHED N#Cc1ccc(COC(=O)Cc2cccs2)c(Cl)c1 784187199 QBVFPNYQIRQHKJ-UHFFFAOYSA-N 291.759 3.559 30 20 CHED C#CC[C@@H](NCc1scnc1C1CC1)c1ccccc1 785502422 GWQDGMURKDLKFN-OAHLLOKOSA-N 282.412 3.875 30 20 CHED Fc1ccc(NN=C2CCOc3cc(F)ccc32)cc1 794862932 WBHFFMLCRHEEBG-UHFFFAOYSA-N 274.270 3.564 30 20 CHED CSCCON=C1CCC[C@H]1c1ccc(F)cc1 794572300 FEYVRVROYPMENO-ZDUSSCGKSA-N 267.369 3.829 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(O)c(F)c2)oc1C 799896635 XMZMEYVSJAWCJZ-GQCTYLIASA-N 260.264 3.637 30 20 CHED C[C@@H]1C[C@@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)CO1 1205493092 QLKFXOFVMDNDLN-CZUORRHYSA-N 294.354 3.940 30 20 CHED Cc1cccnc1NN=Cc1ccc(F)c2cccnc12 790186707 PJNHDGHBALXTRC-UHFFFAOYSA-N 280.306 3.523 30 20 CHED COc1cc(C)c(C=NNCC2(C)CCCC2)cc1OC 793081127 HEAZQBMLJAUJHW-UHFFFAOYSA-N 290.407 3.516 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)c1ccc(C#N)cc1 16469853 SAVVMZFAJHYWFF-CYBMUJFWSA-N 258.365 3.503 30 20 CHED Fc1cccc(NN=Cc2cccc(C(F)(F)F)c2)n1 795005696 CQUHNHLIZDFYOW-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C#C[C@H](CCC)NC(=O)CC(C)(C)CC(=O)c1ccccc1 799425896 OSYSHNHWKQGBGX-MRXNPFEDSA-N 299.414 3.594 30 20 CHED CC[C@H](C)NN=Cc1csc(-c2cccs2)n1 790186900 CPJIUWVGDZLSAM-VIFPVBQESA-N 265.407 3.594 30 20 CHED C=CCN(CCC#N)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 794734764 NUCGDHYQNIBNNQ-AWEZNQCLSA-N 296.374 3.508 30 20 CHED C=CCC[C@@H](C)Nc1cc(N2CCOCC2)ccc1C 797587692 MCEVFIBMTYNTFS-OAHLLOKOSA-N 274.408 3.598 30 20 CHED COc1ccc(C(=O)/C=C\c2ccccc2)c(C)c1OC 794738894 MKZFPGBDQRVHNI-LUAWRHEFSA-N 282.339 3.908 30 20 CHED COc1ccccc1CON=Cc1cc(C)c(O)c(C)c1 799117369 KPLRALQKUQTMPM-UHFFFAOYSA-N 285.343 3.568 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1ccccc1 790307544 YTHRSEAKJWSJRT-UHFFFAOYSA-N 273.267 3.570 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NN[C@@H](C)C(C)(C)C)c1 793116800 UUCRXWHJPQTQJY-ZDUSSCGKSA-N 284.407 3.743 30 20 CHED CCCCCCCCCN1C[C@H](N2CCOCC2)C[C@H]1C 796376733 JWQBJPQMILWKFC-QZTJIDSGSA-N 296.499 3.532 30 20 CHED CC[C@@H](C)NN=C1CC(c2cccc(Cl)c2)C1 790191090 YCPMWPYBXYBLSV-RWANSRKNSA-N 250.773 3.962 30 20 CHED CCc1c(C(=O)/C=C\c2c(C)cnn2C)oc2ccccc12 794696595 HHDOVNUKAUAAJL-KTKRTIGZSA-N 294.354 3.933 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N(CCC(C)C)C1CC1 1301045349 TUKODIBAVDQNLP-UHFFFAOYSA-N 296.846 3.608 30 20 CHED CC[C@@H](C)[C@@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 1167355893 DLSGVTDNUBQEND-HUUCEWRRSA-N 286.419 3.836 30 20 CHED CCCC1CCN(Cc2ccc(C#N)cc2OC)CC1 1231618932 ZKSKPXITZCDMDB-UHFFFAOYSA-N 272.392 3.579 30 20 CHED CCCCCCCC(=O)Nc1ccc(Cl)cc1C(N)=O 1319259690 ZBZGKXQFDFWXKQ-UHFFFAOYSA-N 296.798 3.738 30 20 CHED CCc1cccnc1C(C)=NNc1ccc(C(C)(C)C)nn1 1323583294 RRNKVZVMIKUIOE-UHFFFAOYSA-N 297.406 3.568 30 20 CHED Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1N1CCCC1=O 1322130846 XUNAPYFOELERLG-CABCVRRESA-N 297.402 3.616 30 20 CHED COc1ccc([C@H](Nc2cccc(CC#N)n2)C(C)C)cc1 1325710235 MGJXYZLSIHNIQC-GOSISDBHSA-N 295.386 3.965 30 20 CHED N#Cc1ccc(F)c(CNCc2ccccc2Cl)c1 20045611 JZJFRKHWGAIGEB-UHFFFAOYSA-N 274.726 3.641 30 20 CHED CC(C)N(CCC#N)C(=O)c1csc2ccccc12 42891126 REWKRUQJPZKOMD-UHFFFAOYSA-N 272.373 3.666 30 20 CHED C=C[C@@H](Cc1nnc([C@@H]2CCCCO2)o1)c1ccccc1 1326119562 PFLVNLAJKSEZSR-ZFWWWQNUSA-N 284.359 3.824 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)ccc1Cl 562511233 CIPSOVFQFPGZHB-GBIKHYSHSA-N 274.751 3.586 30 20 CHED N#CCc1ccc(NCc2cc(F)c(F)c(F)c2)cc1 62706919 IEBHTGKDDMZWNB-UHFFFAOYSA-N 276.261 3.782 30 20 CHED C=CCCSCCN[C@@H]1CCc2ccc(F)cc21 594708623 AIMCBZVTLXQFMG-OAHLLOKOSA-N 265.397 3.712 30 20 CHED N#CC[C@@H]1CCCN(CC2CCC(C(F)(F)F)CC2)C1 595620739 PQBKOSHBYDIYAS-HSBZDZAISA-N 288.357 3.981 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cc(C)c(C#N)cn2)C1(CC)CC 1185543898 MMIDDTJJVAGKCS-HUUCEWRRSA-N 287.407 3.657 30 20 CHED CC(C)(CNC(=O)c1ccc(C#N)cc1F)C1=CCCC1 1337358663 XFUYBUJTBWIHKG-UHFFFAOYSA-N 286.350 3.564 30 20 CHED C=CCN(C(=O)c1cc(C)c2ccccc2n1)C(C)(C)C 1331460221 FDHJOYMHKHPFOZ-UHFFFAOYSA-N 282.387 3.970 30 20 CHED Cc1ccc(C[C@H](C)N[C@H](C)CC(C)(C)C#N)s1 695811096 OCLFQKAKYVKZFJ-NWDGAFQWSA-N 264.438 3.906 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cc(C(C)C)oc2C)n1 1333534141 OMCDJJHRSBLITM-UHFFFAOYSA-N 283.331 3.539 30 20 CHED C=C(C)CCC(=O)N1CCC(c2ccccc2F)CC1 1337085814 WUMMVULJCJXWLI-UHFFFAOYSA-N 275.367 3.888 30 20 CHED C=C1CCC(C(=O)N2CC[C@H](Cc3ccccc3)C2)CC1 1333506710 IHDYRTHJZVMZFT-QGZVFWFLSA-N 283.415 3.824 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccc(C2CC2)cc1 1194171836 ICAIJOBPHZLKAP-UHFFFAOYSA-N 291.354 3.730 30 20 CHED C=C(C)CCC(=O)N(CC)c1ccc(C#N)c(Cl)c1 1337451814 KFNWDOILAJNSBH-UHFFFAOYSA-N 276.767 3.921 30 20 CHED CCn1c([C@H](C)CCC#N)nnc1N(CC(C)C)C(C)C 1342940873 OMHMCKXLFHYUFH-CQSZACIVSA-N 291.443 3.576 30 20 CHED Cc1nn(C)cc1CSCCCCC1(C#N)CCC1 1345092586 ZITQINJORDDIRR-UHFFFAOYSA-N 277.437 3.826 30 20 CHED C[C@@H]1CCCC[C@H]1c1nnc(-c2cccc(C#N)c2)o1 1349987320 VLPQCSQBQKHAEY-BXUZGUMPSA-N 267.332 3.902 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1ccc(-c2cccs2)s1 1342179260 HPCYJNBWOALHLG-AWEZNQCLSA-N 290.413 3.899 30 20 CHED N#CC[C@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccco1 1345982451 RISFMRMZEHRHRV-ABHRYQDASA-N 273.332 3.604 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)c1ccc2cc[nH]c2c1 1525211763 ITQLEBAQRWZUHF-UHFFFAOYSA-N 289.338 3.625 30 20 CHED Cc1ncc(CSc2ccc(Cl)cc2C#N)cn1 1559379508 VKTNKJHOBYKKNC-UHFFFAOYSA-N 275.764 3.602 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)[C@H](C#N)CCc1ccccc1 1628457250 QWEMRRTUNKSHEE-UXLLHSPISA-N 284.403 3.548 30 20 CHED COc1ccccc1C(C)(C)CNc1cc(C)c(C#N)cn1 1559087262 GBZVWNZRGYUETC-UHFFFAOYSA-N 295.386 3.660 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC 1633875595 JIUISGOQQRWCPO-KGLIPLIRSA-N 285.391 3.755 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2cc(C#N)ccc2F)C1 1562915356 IMWZHGUCKJYIFD-YPMHNXCESA-N 289.354 3.645 30 20 CHED Cc1cccc2c1CC(C)(C)N(Cc1cccc(C#N)n1)C2 1652511811 CNLCQBNACQGTBV-UHFFFAOYSA-N 291.398 3.599 30 20 CHED C[C@H](NCCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C 1658537992 QVEADKSGAMJSFV-VKJFTORMSA-N 270.420 3.905 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CC[C@@H](CC(=O)O)C1 1595704846 JBNCFRBBJCSHGQ-ZNMIVQPWSA-N 269.429 3.968 30 20 CHED CC[C@@H]1CN(C[C@@H](C)CCC#N)c2ccccc2O1 1664398846 WZYAXBPAGCJZHT-UONOGXRCSA-N 258.365 3.604 30 20 CHED C[C@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2F)CC[C@H]1C 1678270035 OWYNBXPNNICCFE-NTZNESFSSA-N 289.354 3.644 30 20 CHED C=C(CNC(=O)N1C[C@H](C)CCC[C@H]1C)c1ccccc1 1682941020 OWLZBUIGTHPOAV-GDBMZVCRSA-N 286.419 3.920 30 20 CHED C=CC[C@H](CC(C)C)C(=O)Nc1ccccc1C(=O)O 1776152024 RQBHXMRDEJYDBE-GFCCVEGCSA-N 275.348 3.562 30 20 CHED Cc1cc(Cl)ccc1NN=C1CC[C@H](CC(=O)O)[C@H]1C 1776104372 DANOZIQXQOXQTM-GHMZBOCLSA-N 294.782 3.937 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@@H](C)c2ccc(F)cc2)C1 1776153540 IMHHMJYZPUIOJA-SUMWQHHRSA-N 291.366 3.630 30 20 CHED N#Cc1cc(NCc2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] 165734242 RREZGBUKJUCVHT-UHFFFAOYSA-N 293.326 3.567 30 20 CHED COc1ccc(C[C@@H](C)CNCC(C)(C)CCC#N)cc1 157923422 UGRMYKYQSSPYOF-OAHLLOKOSA-N 288.435 3.793 30 20 CHED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccccc1O 156599676 JZROLQJDPNXUGU-FNORWQNLSA-N 274.703 3.647 30 20 CHED CC1(C)CCC/C(=C/c2ccccc2[N+](=O)[O-])C1=O 159022156 LRWFUGPNZBNAGO-BENRWUELSA-N 259.305 3.757 30 20 CHED CCC1(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CCCC1 159361089 SQDQWCXUZAKRBB-CQSZACIVSA-N 290.794 3.991 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 252147644 ODTONDLGCVDGKK-PJXYFTJBSA-N 273.336 3.703 30 20 CHED COc1ccc(CN[C@H]2CCCC(C)(C)C2)cc1C#N 149370595 BEGPWXBFKYUWNU-HNNXBMFYSA-N 272.392 3.625 30 20 CHED Cc1ccc(C#N)c(N[C@@H](C)CCc2ccccc2)n1 44482815 VEMBRIWBLFGFIA-ZDUSSCGKSA-N 265.360 3.695 30 20 CHED N#Cc1ccc(CN[C@H](c2cccs2)C2CC2)cc1 49956671 ITJDEAIBTIHXCW-INIZCTEOSA-N 268.385 3.861 30 20 CHED C[C@H]1CSC[C@H]1Nc1cccc(OCCCC#N)c1 294874927 QHMVFRZKPVVPAJ-SWLSCSKDSA-N 276.405 3.533 30 20 CHED C#CC(C)(C)NC(=O)c1sc2cc(F)ccc2c1Cl 700594621 AAUNWZYZWXRIOI-UHFFFAOYSA-N 295.766 3.835 30 20 CHED Cc1ccc(C(=O)N(CCC#N)CC(C)C)cc1Cl 63021684 PVSAOJMQKCWDSD-UHFFFAOYSA-N 278.783 3.660 30 20 CHED CCc1ccc(C(=O)Nc2cc(C)cc(C#N)c2)s1 308214672 YTRISXZICCSLJO-UHFFFAOYSA-N 270.357 3.743 30 20 CHED C=C(Br)CNCCc1ccc(C(C)C)cc1 309603819 YFMFNVDTYOLVLS-UHFFFAOYSA-N 282.225 3.851 30 20 CHED N#CC1(C(=O)NCc2cccc(Cl)c2Cl)CCCC1 603517605 AUQOLEUSOZGJAO-UHFFFAOYSA-N 297.185 3.694 30 20 CHED C=CCC(C)(C)CNCc1cccc(OC)c1F 311228833 SCWNLDYFCIBLAB-UHFFFAOYSA-N 251.345 3.526 30 20 CHED N#Cc1cnc(SCc2ccccc2)c(Cl)c1 513645446 LPJVUGZDLLFWCD-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](O)CC 313113068 NAYYMBXKRVWNHP-QWHCGFSZSA-N 286.297 3.538 30 20 CHED COc1ccc(Cl)cc1CN(CC#N)C1CCCC1 78003497 BJABGBQRWIXNJM-UHFFFAOYSA-N 278.783 3.617 30 20 CHED N#Cc1c(Cl)cccc1N1CCC(C(F)(F)F)CC1 79032748 WULAOPXEKFJKRG-UHFFFAOYSA-N 288.700 3.990 30 20 CHED C=CCC[C@@H](CO)N[C@@H](CC)c1ccc(Cl)cc1 321029652 QAIJVPVJVGMFOJ-GJZGRUSLSA-N 267.800 3.708 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2Cl)[C@H]2CCC[C@H]21 558992743 XMMXGCNWMMKJPZ-YPMHNXCESA-N 275.783 3.622 30 20 CHED CC1(C)CCCN(Cc2ccc(C#N)c(F)c2)CC1 361836786 HVEXPNPJBIWJSM-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1csc(C(=O)O)c1 689079051 RSMWTCUAABFRTI-STQMWFEESA-N 279.405 3.671 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(OC)cc1OC 595058681 JBNVKUVGCBFTNW-CYBMUJFWSA-N 295.448 3.664 30 20 CHED C=CCC1(NCc2nc(C)sc2C)CCCC1 692590831 CQDCEBMCBUGQEA-UHFFFAOYSA-N 250.411 3.738 30 20 CHED N#Cc1ccc(Cl)cc1N1CCCC(F)(F)CC1 599134369 SVFOIFRTZSCAHH-UHFFFAOYSA-N 270.710 3.837 30 20 CHED N#Cc1cc(Cl)cc(OCc2cc(C#N)ccc2F)c1 383843135 UUNQHVZUSKLTQW-UHFFFAOYSA-N 286.693 3.801 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 397731834 LDISKBBSVGOUKW-NSHDSACASA-N 266.747 3.605 30 20 CHED C[C@H](SCc1ccccc1)C(=O)Nc1cccc(C#N)c1 4836559 DNZRHOJUOFYIJN-ZDUSSCGKSA-N 296.395 3.819 30 20 CHED C=C(Br)CN[C@H](C)c1ccc(CC)cc1 38012747 QXFZWSHUHYHBBP-LLVKDONJSA-N 268.198 3.808 30 20 CHED N#Cc1cccc(CN(Cc2cccs2)C2CC2)c1 42349986 ISHLCAKKHDBJLS-UHFFFAOYSA-N 268.385 3.784 30 20 CHED C[C@H]1CCC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 42373861 FEPVLBIXXYFELB-SWLSCSKDSA-N 260.356 3.708 30 20 CHED COC(=O)c1ccc(SCc2ccccc2C#N)cc1 42641267 NJVGMUZVXPITSR-UHFFFAOYSA-N 283.352 3.637 30 20 CHED C=CCn1c(SCC(C)C)nnc1-c1ccccc1 47819519 ISXJSSUILSKFOK-UHFFFAOYSA-N 273.405 3.879 30 20 CHED C=C(C)CN(CC)Cc1csc(CCCC)n1 48060815 YRPCXBNKCQSEJD-UHFFFAOYSA-N 252.427 3.884 30 20 CHED Cc1cccc(N(C)CCCOc2ccc(C#N)cc2)c1 49986566 NIYXKNCTOPDLCC-UHFFFAOYSA-N 280.371 3.772 30 20 CHED Cc1cc(F)ccc1CNc1ccc(CC#N)cc1 50575706 KPFXMWBZNUIIHB-UHFFFAOYSA-N 254.308 3.812 30 20 CHED Cc1cc(N(C)C)ccc1NC(=O)Nc1cccc(C#N)c1 51559716 PKFZDNXVQWMXIO-UHFFFAOYSA-N 294.358 3.577 30 20 CHED CSc1ccc(COc2ccccc2C#N)cc1 58871223 AITQZMAZWQQNQC-UHFFFAOYSA-N 255.342 3.859 30 20 CHED N#CCCN(CCC#N)Cc1ccc(Cl)cc1Cl 72947217 GVNANHUDYNHBJY-UHFFFAOYSA-N 282.174 3.623 30 20 CHED CCC(CC)S(=O)(=O)/N=C(\O)[C@@H](CC)c1ccccc1 73838151 ZEXYQGPMIROHKU-AWEZNQCLSA-N 297.420 3.655 30 20 CHED CSCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 76153161 QJMAVPBTBLDADB-HOTGVXAUSA-N 274.433 3.511 30 20 CHED Cc1ncc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)s1 80455847 GGNPPLSUGZNMHB-VIFPVBQESA-N 291.401 3.522 30 20 CHED CCOc1ccc(NC(=O)c2cc(C#N)cs2)c(C)c1 84084868 TVRWOQQBYDFTNK-UHFFFAOYSA-N 286.356 3.579 30 20 CHED Cc1cc(CCCC(=O)OCC2(CC#N)CC2)c(C)s1 84695625 ZSDVTKISBNNRIS-UHFFFAOYSA-N 291.416 3.925 30 20 CHED C[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)CC[C@H]1C 85055781 WSLNHJXVFPZYEP-XUJVJEKNSA-N 260.356 3.612 30 20 CHED Cc1nsc(NCc2ccc(C(F)(F)F)cc2)c1C#N 92912351 CIAANRCRUGVAML-UHFFFAOYSA-N 297.305 3.954 30 20 CHED CC1(C)CCCC[C@H]1NCc1ccc(OCC#N)cc1 94322997 CKDAKRALACQZLG-MRXNPFEDSA-N 272.392 3.647 30 20 CHED C=CCCOC(=O)CCCc1ncc(-c2ccccc2)o1 103647290 RIOAKWAFQWELCN-UHFFFAOYSA-N 285.343 3.784 30 20 CHED N#CC1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 104973315 YSUYSCAYUAPIBZ-UHFFFAOYSA-N 298.173 3.761 30 20 CHED N#Cc1ccc(NC(=O)N2CCCc3ccccc3C2)cc1 106509273 APIHFFVQDIMGPJ-UHFFFAOYSA-N 291.354 3.539 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)/C=C/c1cccs1 107905850 PBXLZWROCOEHEK-VOTSOKGWSA-N 299.399 3.828 30 20 CHED N#Cc1cccnc1N[C@H]1CCC[C@H]1c1ccccc1 110603820 XDXYOGXSZKJJLD-HOTGVXAUSA-N 263.344 3.701 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C2CCCCCC2)C1 116803522 MOBKVMJYQAUCNW-CJNGLKHVSA-N 262.397 3.545 30 20 CHED C=CCCCSCC(=O)N[C@@H](C)c1ccccc1OC 117944656 PSERKUDTBVWYAI-ZDUSSCGKSA-N 293.432 3.572 30 20 CHED C=CC[C@@H](C)[C@H](C)NC[C@H](O)c1ccc(Cl)cc1 120465605 MBFSEKZHTZVDLP-XUJVJEKNSA-N 267.800 3.564 30 20 CHED Cc1cccc([C@@H](C)OC(=O)COc2ccccc2C#N)c1 121847699 INQKIVUAPOWHPR-CQSZACIVSA-N 295.338 3.550 30 20 CHED C[C@@H]1CC[C@H](CNc2ccc(C#N)cc2C(F)(F)F)O1 127902455 FVRMVLHLSXWLCX-MWLCHTKSSA-N 284.281 3.556 30 20 CHED CCC(CC)CC(=O)N[C@@](C)(C#N)CCc1ccccc1 129376508 XWPGXSBLWWRGJJ-GOSISDBHSA-N 286.419 3.844 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1F 136246256 VVBLRHMYUFMOFP-LBPRGKRZSA-N 288.244 3.723 30 20 CHED C=CC[C@@H](C)NC(=O)CCCOc1ccc(C)cc1C 152366400 SBILXLGAYGNLNR-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(C(C)=O)c[nH]1)c1ccccc1 153292877 FPLCJYUVEBBCFR-MRXNPFEDSA-N 296.370 3.655 30 20 CHED CSc1ccc(NCc2ccc(C#N)s2)cc1 155785832 JWVIRUJSFVOHRK-UHFFFAOYSA-N 260.387 3.954 30 20 CHED C[C@H](Sc1ccc([N+](=O)[O-])cn1)c1ccc(C#N)cc1 159673502 RNKFGIYJSUAJPH-JTQLQIEISA-N 285.328 3.715 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(CC#N)cc1 159780452 JUCLOBKAYUAOCY-HUUCEWRRSA-N 296.395 3.865 30 20 CHED C=CCN(C)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 161396518 MLHDHTMYEYVRBG-CHWSQXEVSA-N 284.186 3.741 30 20 CHED N#Cc1ccc(COc2cc(Cl)ccc2C#N)cc1 161655978 RNKPRMFFEHRIIC-UHFFFAOYSA-N 268.703 3.662 30 20 CHED C=CC[C@@H](C)N[C@H](CC)c1ccc(OC)c(OC)c1 163330342 RAJXAYLAOCYNDV-TZMCWYRMSA-N 263.381 3.709 30 20 CHED Cc1cc(C)c(O)c(CN(C)Cc2cccc(C#N)c2)c1 163968424 UUBKLBYNMKIZEN-UHFFFAOYSA-N 280.371 3.513 30 20 CHED C=CCCN[C@@H](C)c1ccc(Br)s1 164574866 RGYCVTOUDGQHIT-QMMMGPOBSA-N 260.200 3.737 30 20 CHED Cc1cnc(S[C@H](C)c2ccc(C#N)cc2)nc1 172319700 JGMGHZAMCSHKNH-LLVKDONJSA-N 255.346 3.510 30 20 CHED N#CCCCCNC(=O)C1CCC(c2ccccc2)CC1 173068909 RKVKPOIKDMHUOP-UHFFFAOYSA-N 284.403 3.770 30 20 CHED C=CCOCCCC(=O)Oc1cc(C)ccc1Cl 173138315 KITBVIAOMMHNRI-UHFFFAOYSA-N 268.740 3.537 30 20 CHED C=CCOCCCC(=O)N1CCC[C@@H](C(C)(C)C)CC1 173512016 LNNORHAGSVYCIV-OAHLLOKOSA-N 281.440 3.644 30 20 CHED Cc1cc(C)cc(NC(=O)NCc2cc(C#N)ccc2F)c1 174391991 USVWAXVTRLFZRO-UHFFFAOYSA-N 297.333 3.636 30 20 CHED COc1ccc(C)cc1C[S@@](=O)CCCC(C)(C)C#N 177945630 GJKNILONJBTCEQ-FQEVSTJZSA-N 293.432 3.582 30 20 CHED CCC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 177987064 IMRJCKNHSVDQLA-RTBURBONSA-N 294.398 3.723 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)CCc1ccccc1 178538556 SCSVNZNTBCCVER-UHFFFAOYSA-N 293.370 3.573 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(F)cc1OC(F)F 178649197 QJZRYSHRXVXGKF-SNVBAGLBSA-N 286.297 3.772 30 20 CHED C=C[C@@H](CC(=O)N(C)CCC1CC1)c1ccccc1 179453672 VRPDSDFASGYZBK-HNNXBMFYSA-N 257.377 3.605 30 20 CHED C#CCCCCC(=O)Nc1c(C)cccc1OC(F)F 179938742 AAEMSFYXXJVPJV-UHFFFAOYSA-N 281.302 3.729 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1ccccc1Cl 180292286 SNRDYNDLLXVPLP-LLVKDONJSA-N 266.772 3.619 30 20 CHED CC(C)Cn1cc(/C=C/C(=O)c2ccccc2F)cn1 180693539 HEUOGQMHBDMTDN-BQYQJAHWSA-N 272.323 3.574 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC(C)C)C(C)C 181087226 QPNVVYSCJXQZHN-AWEZNQCLSA-N 254.418 3.807 30 20 CHED CC(C)Oc1ccc(NCc2cnn(C(C)C)c2)cc1C#N 181527656 VAIZAAJKKARRKM-UHFFFAOYSA-N 298.390 3.735 30 20 CHED C[C@@H](NCCCCCN1CCCCC1)c1cccc(C#N)c1 181979955 LYNIEECHAXELEI-QGZVFWFLSA-N 299.462 3.865 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)OCC1(C#N)CCC1 183904308 JDVCCLLXEYTBDQ-CQSZACIVSA-N 271.360 3.726 30 20 CHED CCCOc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 185725575 KWRKKGXMQJINIE-KGLIPLIRSA-N 258.365 3.970 30 20 CHED COc1ccc(OC(C)C)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 185746535 LFPHQDPICZWHFG-ZIAGYGMSSA-N 288.391 3.977 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc(Br)s2)C1 185766352 VHYOEKRDDQLQRV-ZJUUUORDSA-N 299.237 3.683 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 186824740 ISEUGGDVSGMSSN-QGTPRVQTSA-N 286.419 3.803 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C(C)=O)cc1F 187899356 YIYFPTAEKXETSO-HNNXBMFYSA-N 264.296 3.536 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC([C@@H]2CCCO2)CC1 189121580 HGSICHMVXFTILT-KDOFPFPSSA-N 284.403 3.510 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H](C)c2cccc(C#N)c2)n1 189829750 DDMCOTROFSAMBE-LLVKDONJSA-N 294.383 3.690 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(OC)c1C 191830862 FYUDYSBUAVOLGI-INIZCTEOSA-N 261.365 3.853 30 20 CHED CCOc1ccc(C#N)cc1N[C@H](C)C1CCSCC1 192699792 RXYRCEDQRUGPGF-GFCCVEGCSA-N 290.432 3.901 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1CCC 192952309 BVVRQGIVQOIBOT-UHFFFAOYSA-N 258.365 3.845 30 20 CHED C=CCCO[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)CC 194392704 UHSQTVCSGJHFAH-JKSUJKDBSA-N 289.419 3.795 30 20 CHED Cc1ccc(Nc2ncc(C#N)cc2Br)cc1 217250766 VLZKYXFMBNQGSI-UHFFFAOYSA-N 288.148 3.768 30 20 CHED Cc1cc(C#N)ccc1-c1nc(CCC(C)C)no1 227793726 FRYWKFRPSXUBLC-UHFFFAOYSA-N 255.321 3.505 30 20 CHED CC[C@@H]1CN(C[C@H](C#N)CCC#N)CC[C@H]1c1ccccc1 245425892 KWRRZJXLQOFLKL-YQVWRLOYSA-N 295.430 3.946 30 20 CHED C[C@@H]1CCCN(CCCCN[C@H](C)c2cccc(C#N)c2)C1 245870473 JHXGMLREGDUDCP-IAGOWNOFSA-N 299.462 3.721 30 20 CHED C/C(=C/C(=O)N[C@@H](C)CC#N)c1ccc(C(F)(F)F)cc1 254985972 BWCQDFDKCUVGLR-JUDLJHIGSA-N 296.292 3.527 30 20 CHED O=C(/C=C\c1cc(F)c(F)c(F)c1)c1cncc(F)c1 255510155 PKWQJIKITJCGIR-UPHRSURJSA-N 281.208 3.534 30 20 CHED N#CC1(CNCc2csc3ccccc23)CCC1 258945111 QERCLYPTBBFYCU-UHFFFAOYSA-N 256.374 3.685 30 20 CHED CC(C)(C)CN(CCC#N)Cc1cnc2ccccc2c1 271150030 DEKXEXMWQVYSNN-UHFFFAOYSA-N 281.403 3.997 30 20 CHED C=CCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 271668276 MEKLBVKYWITJCK-GFCCVEGCSA-N 261.262 3.985 30 20 CHED C[C@@H](NC[C@@H](c1ccsc1)N(C)C)c1cccc(C#N)c1 271878780 OTCMGYRFCUMTAW-DYVFJYSZSA-N 299.443 3.573 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(-c2nnc(C)n2C)c1 272219600 FTJJVALBZZSWHR-CHWSQXEVSA-N 284.407 3.803 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cccc2ccc(O)cc12)OCC 273120541 XYWZPOAKNBVTCA-KRWDZBQOSA-N 299.370 3.855 30 20 CHED C=C(C)[C@H](Cc1nc(CC2CCCCC2)no1)OCC 273832327 KKIXAHIJHSWCME-AWEZNQCLSA-N 278.396 3.716 30 20 CHED CC#CCCCC(=O)Nc1cccc(-c2nccs2)c1 274381486 YWWZPIHAPKLAJM-UHFFFAOYSA-N 284.384 3.942 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1SCCC#N 278731967 NLMLRZJFPJCTPA-UHFFFAOYSA-N 287.388 3.571 30 20 CHED CC[C@H](N[C@H]1CCCC[C@@H]1OC)c1ccc(C#N)cc1 278768269 PAGOIVYLUUKCJI-ULQDDVLXSA-N 272.392 3.557 30 20 CHED Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CC(C)(C)C#N)C2)cc1 278879707 ZNFONRWMLCAYIM-GDBMZVCRSA-N 284.403 3.639 30 20 CHED CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1 280484417 DXDAHXOQOWUQRE-CHWSQXEVSA-N 272.392 3.652 30 20 CHED C#CC[C@H](N[C@@H](C)c1cc(C)ccn1)c1ccccc1 286047130 KAELXMMTSDAXPD-RDJZCZTQSA-N 264.372 3.805 30 20 CHED Cc1csc(NC(=O)C=C2CCCCC2)c1C#N 288900227 SXOOFEIIVCTVPJ-UHFFFAOYSA-N 260.362 3.757 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1oc(CCC)nc1C 293630290 KEQRTDWTLHAZCJ-VXGBXAGGSA-N 250.386 3.626 30 20 CHED C[C@@H](CN(C)C(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1 294744621 YJNSBTHIURZCIR-HNAYVOBHSA-N 296.414 3.723 30 20 CHED C[C@H](C[C@H](O)c1ccco1)Nc1ccc(C#N)c(Cl)c1 301918152 WJJHROVZIRYBTM-YGRLFVJLSA-N 290.750 3.729 30 20 CHED C[C@H]1CCCC[C@H]1N(C)c1snc(Cl)c1C#N 301920430 DYBZYEZGNJJEMH-WCBMZHEXSA-N 269.801 3.683 30 20 CHED C=CCN(Cc1ccccc1)c1ncnc2sccc12 302021061 DUOQCTSCKUWSFR-UHFFFAOYSA-N 281.384 3.884 30 20 CHED CC#CCCSCc1ncc(Br)s1 308326437 GLJAEHJIIRLVLI-UHFFFAOYSA-N 276.224 3.552 30 20 CHED CC(C)(C)C(C)(C)CNCc1cc(C#N)cs1 310537554 BCQQUFJYKRZXOP-UHFFFAOYSA-N 250.411 3.782 30 20 CHED C=CCCCCCCN[C@@H]1CCOC2(CCC2)C1 310652533 YKVSUZDOCHTGJI-OAHLLOKOSA-N 251.414 3.814 30 20 CHED COc1ccccc1C[C@@H](C)Nc1cccc(CC#N)c1 313421027 AVHFZMYMSQMZQM-CQSZACIVSA-N 280.371 3.804 30 20 CHED CC1(C)CCC(CNCc2cccc(OCC#N)c2)CC1 314470781 IDPHFCWHWKLNRL-UHFFFAOYSA-N 286.419 3.895 30 20 CHED O/C(=N/[C@@H]1C[C@@H]1C1CCCCC1)c1ncoc1C1CC1 328845362 RPEUGRMUYDYYOR-CHWSQXEVSA-N 274.364 3.825 30 20 CHED Cc1[nH]nc(C(F)F)c1N=C(O)c1scnc1C1CC1 329291849 QYWKSSBTJOKQQS-UHFFFAOYSA-N 298.318 3.626 30 20 CHED C[C@H](C/C(O)=N/[C@H]1CCc2c[nH]nc2C1)C1CCCCC1 329879191 LXDJCVOYFAJVAO-DOMZBBRYSA-N 289.423 3.830 30 20 CHED CCC1(CC)CCC(N/C(O)=N/Cc2cccnc2)CC1 331013377 KIAKMTITLUAQRD-UHFFFAOYSA-N 289.423 3.834 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCC1(C#N)CCC1)CC3 333642096 UMIFHCHMJYCFHW-AWEZNQCLSA-N 293.414 3.617 30 20 CHED CC1(C)CC(C(=O)Nc2ccc(CC#N)cc2Cl)C1 334533384 HWPNZWGZCSAVGP-UHFFFAOYSA-N 276.767 3.781 30 20 CHED CC1(C)CCCN(C(=O)c2coc3ccccc23)[C@H]1C#N 336141496 QDYABNFYLHWWEB-HNNXBMFYSA-N 282.343 3.587 30 20 CHED CO[C@@H](CNc1ccc(C(F)(F)F)cc1C#N)C(C)C 336829604 DCWKVCBMQFAJMH-ZDUSSCGKSA-N 286.297 3.660 30 20 CHED C=CCCc1ccccc1NCc1cc(C#N)n(C)c1 337269493 YVFKZCMSBDZWHC-UHFFFAOYSA-N 265.360 3.627 30 20 CHED C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)C(C)(F)F 339024790 RZSKZGVPNCZZSW-LLVKDONJSA-N 296.317 3.599 30 20 CHED Cc1cc(COc2cccc(F)c2C#N)c(C)s1 339181476 BFTCRQHMNACICF-UHFFFAOYSA-N 261.321 3.955 30 20 CHED Cc1nsc(N[C@H](C)c2ccc(F)cc2F)c1C#N 339969864 VEBVWHWSNYYBEI-SSDOTTSWSA-N 279.315 3.775 30 20 CHED CCN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CCCC[C@H]1C 340119377 BBZNNJBDOHCPIF-RHSMWYFYSA-N 284.403 3.793 30 20 CHED CCc1cc2c(NCC(C)(C)CCC#N)ncnc2s1 340930572 BWULZGLOUFHFPA-UHFFFAOYSA-N 288.420 3.996 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)c1cc(C#N)ccn1 341740857 BVBBJIXDGIUODX-LBPRGKRZSA-N 277.327 3.897 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC(C)C)c1ccccc1C 341870774 BKPAOPPNNAPTLT-AEFFLSMTSA-N 275.436 3.856 30 20 CHED N#CCCCNC(=O)c1ccc(Oc2ccccc2)cc1 342627890 HJOXGWDVPWDMFB-UHFFFAOYSA-N 280.327 3.512 30 20 CHED C=CCN(Cc1ccccc1)Cc1cnc(C(C)(C)C)nc1 342782085 NXCMGKSGSXUBAO-UHFFFAOYSA-N 295.430 3.962 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCOc2c(CC)cccc21 343458588 QIYSNMMRABLTQU-QGZVFWFLSA-N 299.414 3.957 30 20 CHED C=CCC[C@H](NC(=O)Nc1ccnn1CC)c1ccccc1 343502119 BXESUKMFFWPDGI-HNNXBMFYSA-N 298.390 3.732 30 20 CHED C=C1CCN(Cc2cccc(CN3CCC(=C)CC3)c2)CC1 343672788 YXBRWURBHUXPKX-UHFFFAOYSA-N 296.458 3.991 30 20 CHED C=CCCC1(C(=O)Nc2cc(C#N)c3ccccc3n2)CC1 344997275 VWKVEANKMDAFFC-UHFFFAOYSA-N 291.354 3.791 30 20 CHED Cc1sc(NC(=O)[C@H]2CC[C@H](C)C2)c(C#N)c1C 345238331 VQDDBAJCXCEEOJ-KWQFWETISA-N 262.378 3.611 30 20 CHED Cc1ccc(CCCC(=O)NCC(C)(C)CCC#N)s1 345916489 WRSHPOBTPLUPAB-UHFFFAOYSA-N 292.448 3.825 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccc([N+](=O)[O-])cc1 348208791 AGVDJLIGOVVAEJ-GFCCVEGCSA-N 275.352 3.575 30 20 CHED CCN(Cc1ccccc1)C(=O)c1cc(C#N)ccc1Cl 349516251 FFURHBCQWBMNQI-UHFFFAOYSA-N 298.773 3.874 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 351614610 HZRDSUFPYRAEEW-UKPHBRMFSA-N 289.419 3.695 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 355326715 WYEUYIGIJAIXMP-QGZVFWFLSA-N 284.359 3.548 30 20 CHED C=CCCC(=O)Nc1ccc(Oc2ccccn2)cc1 356140532 LXAKQNAJOKSJEJ-UHFFFAOYSA-N 268.316 3.779 30 20 CHED C=CCCC1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CC1 356570205 WGZZLKXVBRPCHX-UHFFFAOYSA-N 286.419 3.742 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2nccc3ccccc23)no1 356919843 SHVMKLGJJGNCPI-LBPRGKRZSA-N 295.342 3.939 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 359595531 WDGKNNQMFHAAJI-LLVKDONJSA-N 296.374 3.709 30 20 CHED Cc1nc(N2CCC[C@@H]2C2CCC2)c(Cl)cc1C#N 359875746 KUQUBEFPMVFWAQ-CQSZACIVSA-N 275.783 3.684 30 20 CHED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCCC#N 359999464 HLTDUTUFEMCGEZ-LLVKDONJSA-N 298.308 3.919 30 20 CHED N#CCCN(CCCc1ccsc1)Cc1ccco1 360974534 HHCZDSKGECBVNM-UHFFFAOYSA-N 274.389 3.690 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)cc1C#N 369199540 XTYBCTLSAYCKTB-QGZVFWFLSA-N 282.387 3.662 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@H]1CCCc2sccc21 370804112 WMLSORJKLIOILY-AWEZNQCLSA-N 296.395 3.987 30 20 CHED C=C(Br)CN[C@H]1CCCCC12CCCC2 380231979 LOHAGYVTBRRMOQ-LBPRGKRZSA-N 272.230 3.988 30 20 CHED CC[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCCO1 384805229 YOZFETHXWYHNHB-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED N#Cc1ccc(COc2ccc(Cl)cc2F)cc1 385534419 KJJVQADZHRSGQM-UHFFFAOYSA-N 261.683 3.930 30 20 CHED C=C(C)CCNCc1nc(-c2ccccc2)cs1 386829233 VOWOOLHCDACRIB-UHFFFAOYSA-N 258.390 3.866 30 20 CHED CCCCCCCCCC(=O)N1C[C@H](C)C[C@@H](CO)C1 398810412 PFBFDOXUQDCFBO-HZPDHXFCSA-N 283.456 3.604 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(OCCC)c1 410125837 QKGMVMVXJQHKOF-AWEZNQCLSA-N 261.365 3.560 30 20 CHED Cc1csc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c1C#N 410856429 FXGLVEGNWXIUJT-HOSYDEDBSA-N 276.405 3.939 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCc2cc(C#N)ccc21 411004193 WAAMEJWCXMNLJI-HZPDHXFCSA-N 282.387 3.520 30 20 CHED CSc1cc(NC(=O)CC(C)(C)C#N)ccc1Cl 413945346 FRRDJWBQTDBMFV-UHFFFAOYSA-N 282.796 3.940 30 20 CHED COc1ccc2ccccc2c1CNCC1(C#N)CCC1 418143578 QKORGAUHAZBIEY-UHFFFAOYSA-N 280.371 3.632 30 20 CHED C=CCC[C@H]1NC(=O)N([C@@H](C)c2ccc(C3CC3)cc2)C1=O 420084957 WRFSIJJDRWFLEA-BLLLJJGKSA-N 298.386 3.512 30 20 CHED CC[C@H](CC(=O)N1CCc2c(C#N)cccc21)C(C)C 421652840 VCHLZMJXNNHHMM-CYBMUJFWSA-N 270.376 3.520 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1C(F)F 425707194 WVHIIIFYRZKIME-UHFFFAOYSA-N 254.280 3.664 30 20 CHED C=CC[C@@H](C(=O)NC[C@H](C)C(F)(F)F)c1ccccc1 427816621 CGLQUPFHSZRLDB-WCQYABFASA-N 285.309 3.661 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[C@H](C)C[C@@H]1CC 436294956 PMHKYAGUEROJAV-SIRPWMCASA-N 265.441 3.772 30 20 CHED CCCC[C@H](CCC)CNC(=O)C1(C#N)CCCC1 440813849 NKVBEVZDLNFBIE-AWEZNQCLSA-N 264.413 3.793 30 20 CHED CCSCCCc1noc(/C=C/c2ccccc2C#N)n1 445768842 PUTVVAMFZSUZTB-MDZDMXLPSA-N 299.399 3.797 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 448766286 YYKHFRDPGQYPCW-DZKIICNBSA-N 287.378 3.777 30 20 CHED CC(C)Cn1ccc2cc(NC(=O)[C@]3(C#N)C[C@@H]3C)ccc21 448806864 WPRGRGPYDJQACX-UGSOOPFHSA-N 295.386 3.786 30 20 CHED CC[C@H](CC#N)NCc1cc2ccccc2cc1OC 449243851 NWWYCCCVSQSGQH-MRXNPFEDSA-N 268.360 3.630 30 20 CHED C[C@H](Nc1cccc(CC#N)c1)C1CCSCC1 449706023 ZVPWEPMXIKZFDF-LBPRGKRZSA-N 260.406 3.696 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CCC)CC(C)C 451394243 RTHYCGIEVQZHPG-XHSDSOJGSA-N 281.440 3.546 30 20 CHED C=C(C)CN[C@@H](CCOC)c1cccc(C(F)(F)F)c1 451689641 JUZXZMRHKCRUSN-AWEZNQCLSA-N 287.325 3.949 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](CC)CC(F)(F)F 452142499 XRPNQUUEENPGKI-SNVBAGLBSA-N 265.319 3.684 30 20 CHED COC1(CCNc2ccc(CC#N)cc2Cl)CCC1 453137914 VUTLOLRFLVATCL-UHFFFAOYSA-N 278.783 3.777 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1CC(C)(C)Cc2occc21 453371344 VTKRTEWTZDZXPA-ILXRZTDVSA-N 275.392 3.616 30 20 CHED C=C(C)CCNC(=O)Nc1ccccc1OC(F)(F)F 454302612 LOFDTCSJCLPSKU-UHFFFAOYSA-N 288.269 3.673 30 20 CHED C=CCC1(CNC(=O)[C@H]2CCCCS2)CCCC1 456481362 BDXDXUKZYQSVLM-CYBMUJFWSA-N 267.438 3.525 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)NCC(C)(C)CC#N)C1(C)C 458048340 ZQFYFNCXRKKYHA-LRDDRELGSA-N 264.413 3.505 30 20 CHED C=CCC1(NC(=O)NCC[C@@H]2CCCCO2)CCCCC1 458638821 UAOZEQLASISXDN-HNNXBMFYSA-N 294.439 3.524 30 20 CHED CO[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 463663244 WDGSZFCIBAHGKW-UONOGXRCSA-N 298.308 3.947 30 20 CHED C=CC[C@@H]1N(C(=O)c2n[nH]c3ccccc23)CCCC1(C)C 470292270 JDYMCBGZICLKFN-HNNXBMFYSA-N 297.402 3.770 30 20 CHED C=CCOCCCN[C@@H](C)c1nc(C(C)(C)C)cs1 470779238 LRZPWVHXGQBNJN-LBPRGKRZSA-N 282.453 3.684 30 20 CHED C=CCCCCNCc1c(F)cccc1N1CCCC1 472044174 XSXFPDDTVJRUAU-UHFFFAOYSA-N 276.399 3.872 30 20 CHED Cc1ccc(SC[C@H](C)Nc2ccc(C#N)nc2)cc1 472668538 RBIBUALPSAVGIF-ZDUSSCGKSA-N 283.400 3.854 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 476055588 YEEYBJVFRSWBIL-AIANPOQGSA-N 276.424 3.791 30 20 CHED CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)CC#N 476695876 VTOSPBAQWBGFFW-HNNXBMFYSA-N 266.429 3.990 30 20 CHED C=CCCC1(c2nc(-c3cccc(C(=O)OC)c3)no2)CC1 481913688 GYJOQAIEXDGEAB-UHFFFAOYSA-N 298.342 3.521 30 20 CHED C=CCCOCCCCC(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C 482682668 WMSXYWGPXFAPLD-ULQDDVLXSA-N 295.467 3.938 30 20 CHED C=CCCCN[C@H](CO)c1c(Cl)cccc1Cl 483244869 PCGLCTZFEDQJIZ-GFCCVEGCSA-N 274.191 3.583 30 20 CHED Cc1cc(F)ccc1C1CCN(c2cc(C#N)ccn2)CC1 488441341 SALQXNUDUODXOI-UHFFFAOYSA-N 295.361 3.785 30 20 CHED Cc1c(Cl)cnc(N2CC3(CCC3)[C@H]2C(C)C)c1C#N 488483888 HPDQFYBPSQSLJG-CQSZACIVSA-N 289.810 3.930 30 20 CHED Cc1cccc(N(C)Cc2ccc(F)cc2C#N)c1 489618635 FJZWXMSENMYDSB-UHFFFAOYSA-N 254.308 3.642 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)CCC(F)(F)F 491390231 SGAKGGVURVZZJK-SNVBAGLBSA-N 256.271 3.503 30 20 CHED CCc1ccc(C(=O)[C@@H](C)Sc2ccc(C#N)cn2)cc1 495272908 RFECVAAKYXMSIX-GFCCVEGCSA-N 296.395 3.879 30 20 CHED CC#CCCNC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 502105434 OKXWRXBWJQYTCA-RDJZCZTQSA-N 284.403 3.583 30 20 CHED C[C@@H]1C[C@H](CNc2cc(C#N)ccc2C(F)(F)F)CCO1 505708211 XLBOVQJVGLRQGC-ZYHUDNBSSA-N 298.308 3.804 30 20 CHED CC(C)[C@@H](C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505912692 NKSIBVICQJKLQD-ZWNOBZJWSA-N 298.308 3.678 30 20 CHED C=CCN1CCC[C@@H]1c1cc(Br)ccc1OC 507162305 CWJOGGGAANHLIF-CYBMUJFWSA-N 296.208 3.781 30 20 CHED C=CCCCCCN(C)c1nnc([C@@H](C)CC)n1C 507814733 XELKJWOSKYKRGZ-ZDUSSCGKSA-N 264.417 3.511 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 508802976 UVSGZOJYCUMOMN-GASCZTMLSA-N 296.418 3.613 30 20 CHED C=CCSCCNC(=O)N1CCCC[C@@H]1CC(C)C 509207056 HIOYTTZONFBRBP-CQSZACIVSA-N 284.469 3.516 30 20 CHED CC[C@H](c1ccc(F)cc1)N1CCC(F)(C#N)CC1 510921166 XOGVWHIULRZXQD-CQSZACIVSA-N 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CC(C)(C)OCCON=C(c1ccccc1)C(F)(F)F 751956147 OUIMQOCCNAEJNH-UHFFFAOYSA-N 289.297 3.785 30 20 CHED C=CCOCCCC(=O)N(C)c1ccc(CCCC)cc1 752372962 WVJWZCPPTIARGI-UHFFFAOYSA-N 289.419 3.975 30 20 CHED Cc1c(C(=O)O[C@@H](C)C(C)(C)C#N)oc2ccc(F)cc12 753612253 FHUBUKYUBLHKSL-JTQLQIEISA-N 289.306 3.975 30 20 CHED C=CCc1cc(OC)cc(CN(CC)C2CCCC2)c1O 754727823 QNXITEFXGDMMGI-UHFFFAOYSA-N 289.419 3.894 30 20 CHED CC(=NOCC(F)F)c1cc2ccc(C)cc2o1 754973742 OBETZYLVCHXSBF-UHFFFAOYSA-N 253.248 3.747 30 20 CHED C#CC[C@H](NC(=O)Cc1ccc(CC)cc1)c1ccccc1 757581805 XXLPHIBRCGADHF-IBGZPJMESA-N 291.394 3.672 30 20 CHED C#CCCCC(=O)Oc1cc(Cl)cc(Cl)c1 757837138 CFTKHOFAUZYORV-UHFFFAOYSA-N 257.116 3.702 30 20 CHED Fc1cccc(F)c1NN=Cc1nc(Cl)cs1 758109715 KDZFQIBRNFVMFM-UHFFFAOYSA-N 273.695 3.521 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(N)cc1C 758119077 SKBZRXHRKJRATN-UHFFFAOYSA-N 271.339 3.861 30 20 CHED Fc1ccc(C=NOCCCOCc2ccccc2)cc1 758763495 JZRMDLIXQVYDGS-UHFFFAOYSA-N 287.334 3.783 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc(C)cc1O 759654040 ZJSVYTQRVVSICV-UHFFFAOYSA-N 272.323 3.984 30 20 CHED CCc1ccccc1NC(=S)Nc1cc(CC#N)ccn1 763168592 HVSFEQYGFQTMIP-UHFFFAOYSA-N 296.399 3.519 30 20 CHED CC[C@@H](C#N)OC(=O)c1c(Cl)cc(F)cc1Cl 763564381 RLCQNDPZPZAAAS-ZETCQYMHSA-N 276.094 3.591 30 20 CHED C#CCCN1CCCCC[C@@H]1c1ccc(OC)cc1 764232927 QCODOEVYEBJNHC-QGZVFWFLSA-N 257.377 3.636 30 20 CHED CC(=NNc1ncnc2ccsc12)c1ccc(O)c(C)c1 764835755 QUMFULOAARLULP-UHFFFAOYSA-N 298.371 3.541 30 20 CHED C=C(Cl)COC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 766781332 OKHOALCOQJGSKU-IUCAKERBSA-N 290.668 3.503 30 20 CHED C#CCCCN1CCc2[nH]c3ccc(Cl)cc3c2C1 766919135 RRVDOKPFOFKLTJ-UHFFFAOYSA-N 272.779 3.593 30 20 CHED Fc1cc(NN=CC2CCC(C(F)(F)F)CC2)ccn1 767385004 DCYZQGLPUQQHEQ-UHFFFAOYSA-N 289.276 3.987 30 20 CHED C#CCC(C)(C)c1nc(-c2ccc(Cl)cc2)no1 767421580 QXWUYIXSZUUGND-UHFFFAOYSA-N 260.724 3.691 30 20 CHED Fc1cc(F)cc(NN=Cc2cc(F)c(F)cc2F)c1 767777129 UDEWIRFEYQBIPZ-UHFFFAOYSA-N 286.203 3.828 30 20 CHED CCC/C=C\C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 767979187 CIGZZNNXOSLVKI-PLNGDYQASA-N 280.371 3.530 30 20 CHED CC(C)(C(=O)OCC1(C#N)CCC1)c1ccccc1Cl 768105861 SHQQKDMMEYTYLJ-UHFFFAOYSA-N 291.778 3.855 30 20 CHED COc1ccc(C(=O)OCCCCC(C)(C)C#N)c(F)c1 768407704 SHMARNGQALZMAA-UHFFFAOYSA-N 293.338 3.711 30 20 CHED CCCCCCCC(=O)N[C@H]1CCc2cc(O)ccc2C1 768835779 QFLLYXFSKQWBBU-INIZCTEOSA-N 289.419 3.726 30 20 CHED CCCC[C@H](CC)C(=O)Oc1ccc(C#N)cc1F 769738074 KHFUECYOHXWQBU-LBPRGKRZSA-N 263.312 3.819 30 20 CHED C=CCNC(=S)Nc1ccc(F)cc1OC1CCCC1 769788580 UDUBRPJTRNZIPW-UHFFFAOYSA-N 294.395 3.620 30 20 CHED c1ccc([C@H]2CCC2=NOCc2cccnc2)cc1 769799076 GHDXAFUCNNTLGD-OAHLLOKOSA-N 252.317 3.532 30 20 CHED CCc1nn(C)cc1C=NNc1ccc(Cl)cc1Cl 770592534 UEXVNQMHRHEOGT-UHFFFAOYSA-N 297.189 3.735 30 20 CHED C=CCC[C@H](NC(=O)/C=C/SC)c1ccccc1 772168745 FKBHBSPDYKNTCP-GETOMWPZSA-N 261.390 3.687 30 20 CHED C=Cn1cc(C=NNc2ccc(Cl)c(Cl)c2)cn1 773035866 XYZIKCQVAUBQQI-UHFFFAOYSA-N 281.146 3.736 30 20 CHED Cc1ccc2c(c1)CCC2=NNc1nccnc1C(C)C 773092069 YFTGPNCMBUYFLG-UHFFFAOYSA-N 280.375 3.671 30 20 CHED CC(/C=C1\C(=O)Nc2cc(C#N)ccc21)=C\c1ccccc1 773160426 LRLDBLOGPXZVIX-RCGCBBHSSA-N 286.334 3.997 30 20 CHED O=C1/C(=C/c2cccc(F)c2)Oc2cc(F)ccc21 773174824 YNAAYRRBRAKYQW-AUWJEWJLSA-N 258.223 3.581 30 20 CHED C#CCCCCC(=O)N[C@@](C)(CC)c1ccccc1 773340324 LGZBZHZAJGQHRK-KRWDZBQOSA-N 257.377 3.622 30 20 CHED CCCCc1nc(C=NOC2CCCC2)c(Cl)[nH]1 774603392 RDYQRAAQBUEZHM-UHFFFAOYSA-N 269.776 3.699 30 20 CHED C#CCOc1ccccc1NCc1cnc(C(C)C)s1 775363828 OWWBBVWSBRYIFJ-UHFFFAOYSA-N 286.400 3.891 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)OCCC(C)(C)C#N 776379092 LIDQZGDOIXDHGF-CHWSQXEVSA-N 251.370 3.686 30 20 CHED Cc1cc([C@H]2CCCN2Cc2ccc(C#N)cc2C)no1 776793846 YZVCWYMPXOVWNI-QGZVFWFLSA-N 281.359 3.500 30 20 CHED C#CCCCSc1nc(C)c(-c2ccccc2)[nH]1 777587492 JNLVRZKIDPSJFS-UHFFFAOYSA-N 256.374 3.891 30 20 CHED C#CCCCCCC(=O)Nc1nnc(CCCCC)s1 779724661 ABYRUKHWNHDCLJ-UHFFFAOYSA-N 293.436 3.793 30 20 CHED C#CCCCCCC(=O)N(Cc1ccc(OC)cc1)C1CC1 779756214 YIKLMIUSQOCOLC-UHFFFAOYSA-N 299.414 3.770 30 20 CHED CCn1cc(C=NN[C@@H]2CCOC(C)(C)C2)c2ccccc21 780251853 FEBCKGHTJWDNCB-OAHLLOKOSA-N 299.418 3.542 30 20 CHED Fc1cc(NN=C2C[C@@H]3CCCc4cccc2c43)ccn1 781133956 YAQZQJRXXGSHRC-LBPRGKRZSA-N 281.334 3.861 30 20 CHED N#Cc1csc(C(=O)OCc2ccc(Cl)cc2F)c1 781192287 KAFNSMSLTOYQKD-UHFFFAOYSA-N 295.722 3.769 30 20 CHED Clc1csc(C=NOCc2ccccc2)c1 782188862 ZGSJLDOMJIITPK-UHFFFAOYSA-N 251.738 3.952 30 20 CHED C=C(Br)CNC(=O)CCCC[C@@H](C)CC 784632279 ZCSZUROGQVBLJB-JTQLQIEISA-N 276.218 3.618 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1 784742397 ANKHQJPUXVLBKV-YVZNUBBCSA-N 294.807 3.567 30 20 CHED CCOc1ccc(/C=N/Cc2cccc3cc[nH]c23)c(O)c1 786028787 ZKKHHBJWNXPMRZ-YBFXNURJSA-N 294.354 3.891 30 20 CHED CC(C)(NCc1ccc(C#N)cc1Cl)C1CCOCC1 786153491 UPLUJNXEBJUTAC-UHFFFAOYSA-N 292.810 3.506 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccc(OC)cc1 786636289 CWYVYRMUKOPLGG-BLLLJJGKSA-N 262.349 3.902 30 20 CHED C#CCC1(C(=O)Nc2ccc(OCC)cc2)CCCCC1 788144030 UUALNLRSBDGUBB-UHFFFAOYSA-N 285.387 3.998 30 20 CHED Cc1cccc(OC(=O)c2ccc(F)c(C#N)c2)c1C 790116349 BFMYKQMTHLZWOE-UHFFFAOYSA-N 269.275 3.533 30 20 CHED Fc1ccc(NN=Cc2ccsc2Cl)cc1 790141952 ZNMUYHZQRPCNNI-UHFFFAOYSA-N 254.717 3.987 30 20 CHED CC[C@H](C)NN=Cc1cnc(C2CCCC2)s1 790181585 FJQKILIBDBRXMS-JTQLQIEISA-N 251.399 3.523 30 20 CHED CC(=NNc1ncccc1C)c1ccc2ccccc2n1 790185166 IGEHMUFJRCXBAO-UHFFFAOYSA-N 276.343 3.774 30 20 CHED CC(C)(C)c1cnc(/C=C2\Cc3c(O)cccc3C2=O)s1 790603982 QGNGDZVPQDURJC-CSKARUKUSA-N 299.395 3.969 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(C(F)F)c2)s1 791767479 STUNODIVOCTOBF-UHFFFAOYSA-N 293.294 3.914 30 20 CHED C/C(=C\C(=O)[C@@H](C#N)c1cnc2ccccc2n1)C(C)(C)C 792099986 KPZBLJNMFVCEQH-SRXBQZRASA-N 293.370 3.798 30 20 CHED C[C@H]1CC[C@H](CNCc2ccc(N(C)CCC#N)cc2)C1 793347655 VEACLDMEDJQTLI-RDJZCZTQSA-N 285.435 3.562 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1F 794721400 KDGWHPFHIPJGBJ-PLNGDYQASA-N 259.255 3.564 30 20 CHED FCC[C@@H]1CCCC1=NNCc1ccc(Cl)cc1 794917708 IBXSPFRWGGXFQQ-LBPRGKRZSA-N 268.763 3.945 30 20 CHED C[C@H](OC(=O)c1ccc(C(C)(C)C#N)cc1)c1cccnc1 796036337 JZYMMJBWBFYIBX-ZDUSSCGKSA-N 294.354 3.801 30 20 CHED CC1(C)CCc2ccccc2C(=NNc2ncccn2)C1 797787188 GIIASCJRTBABJS-UHFFFAOYSA-N 280.375 3.655 30 20 CHED C=C[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(C)(C)C 798902684 HIMXAULGLJMBPA-INIZCTEOSA-N 296.370 3.922 30 20 CHED COc1ccccc1CON=C(C)c1ccc(F)cc1F 799116558 AAKDJEFAAJUFNO-UHFFFAOYSA-N 291.297 3.914 30 20 CHED COc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1OC(C)C 799723573 MOLPSCQKWJBXJN-QWHCGFSZSA-N 274.364 3.587 30 20 CHED Brc1ccc(CNN=C2CCC23CCC3)cc1 799878814 XZASERFRYNFEGD-UHFFFAOYSA-N 293.208 3.859 30 20 CHED C=CCCCCCCNC(=O)N[C@@H](C)CC(F)(F)F 805292495 NMRQPWRTLRYPES-NSHDSACASA-N 280.334 3.763 30 20 CHED CC(C)c1ccc2occ(C(=O)O[C@@H](C)C#N)c2c1 805595657 RGEQUCDCZYTWGU-JTQLQIEISA-N 257.289 3.625 30 20 CHED CC(C)(C(=O)OCC#Cc1ccc(Cl)cc1)C1CC1 805703220 IBOMOQRFWQPCJX-UHFFFAOYSA-N 276.763 3.671 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccccc1N1CCCCC1 806115770 RMLYOKGTRGLYGA-OAHLLOKOSA-N 299.418 3.600 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1Cl)c1ccnc(O)c1 806555373 CPPMSJQEHIVYMC-RJRFIUFISA-N 294.137 3.990 30 20 CHED Cc1nn(C)c2sc(C(=O)/C=C\c3ccsc3)cc12 806578926 PHJNIJGZMGIGMN-ARJAWSKDSA-N 288.397 3.901 30 20 CHED C#C[C@H](NC(=O)C(C)(C)c1ccccc1Cl)C(C)(C)C 807878464 QXLQCHRGEBOZQA-AWEZNQCLSA-N 291.822 3.782 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cc(C)ccc1O 807990204 XFLFNZHRJLDWEK-UHFFFAOYSA-N 299.330 3.753 30 20 CHED C(=NNc1nccnc1C1CCC1)c1cccc2[nH]ccc12 807994786 YSELNYGKOPFEFQ-UHFFFAOYSA-N 291.358 3.671 30 20 CHED C#C[C@H](C)NCc1ccc(-c2ccc(F)cc2C)o1 809683557 GCCOTHUWEXCBSL-LBPRGKRZSA-N 257.308 3.505 30 20 CHED C#Cc1ccccc1Cc1nc(Cc2cccc(C)c2)no1 810278272 BXEIJNCNLXWHLL-UHFFFAOYSA-N 288.350 3.541 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](CCOC(=O)c2cccc(C#N)n2)C1 810627537 HANOJJAAUOJNIN-WDNDVIMCSA-N 286.375 3.572 30 20 CHED CC[C@H](C)NN=Cc1c(Cl)cc(Cl)cc1N(C)C 811648004 CCRLCSCPOMLUMO-VIFPVBQESA-N 288.222 3.781 30 20 CHED OC1(c2cccc(F)c2)CCC(=NOC/C=C\Cl)CC1 811668165 LHBOSOHCEKMTDM-UQQBWZQOSA-N 297.757 3.712 30 20 CHED CCc1nc2c(s1)C(=NOC/C=C\Cl)CCC2 811668983 WQURACPZCMOOIJ-AUZNDJKCSA-N 270.785 3.515 30 20 CHED Clc1ccc2cccnc2c1C=NOC1CCC1 812235568 KLOQELKELLBLKF-UHFFFAOYSA-N 260.724 3.791 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCC[C@@H](OC)C1 814418232 HLMIHXLIDGREDV-JKSUJKDBSA-N 281.440 3.834 30 20 CHED C=CCCC(CCC)=NNc1ccc([N+](=O)[O-])cn1 814805579 FQVCBWOWAVCZJQ-UHFFFAOYSA-N 262.313 3.524 30 20 CHED CC[C@@H](C=NNc1ccnc(F)c1)c1ccccc1 814901132 ZGAXZJHDZAWFIN-LBPRGKRZSA-N 257.312 3.812 30 20 CHED C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1CC[C@@H](C)C1 814923975 DHHCFZFFKBIOTB-OLZOCXBDSA-N 288.391 3.502 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1 817883019 NOCIWFIQDRFUGV-UHFFFAOYSA-N 293.366 3.955 30 20 CHED CCC/C(C)=C\C(=O)N(C)[C@H](C)c1cccc(C#N)c1 819736735 OEXYJZULVQDBPF-QLKUMGTLSA-N 270.376 3.824 30 20 CHED COc1ccc(CNC2(c3ccccc3C)CC2)cc1C#N 829499679 CIWMYIINHNDXMJ-UHFFFAOYSA-N 292.382 3.654 30 20 CHED C=CCCSCc1coc(-c2ccc(C(=O)O)cc2)n1 833375127 WZYFTPCXZHJULV-UHFFFAOYSA-N 289.356 3.849 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2ncc(F)cc2F)o1 835022463 KPMBXMIYRUYMCP-GZMMTYOYSA-N 277.274 3.522 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 837313885 QTXIMDQJUMFPFQ-UHFFFAOYSA-N 299.370 3.716 30 20 CHED CN(Cc1csc2ccccc12)C(=O)C#CC(C)(C)C 837346263 SALAZMHBJIHHMJ-UHFFFAOYSA-N 285.412 3.909 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OC)c(SC)c1 837772435 YPAZFOQEPPGNPP-UHFFFAOYSA-N 287.331 3.567 30 20 CHED CC(C)(C#N)CCCOC(=O)C[C@@]1(C)CC1(Cl)Cl 838156671 GVPPZCXPNNOBOY-LBPRGKRZSA-N 292.206 3.834 30 20 CHED CCOc1ccc(/C=N/[C@@H](C)c2cncc(F)c2)c(O)c1 840709939 GNBRMYOSHDZTQI-LOMXTUQMSA-N 288.322 3.505 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(CC(C)C)cc2)nn1C 840712886 IGJHDTUBKROGFE-MDZDMXLPSA-N 282.387 3.823 30 20 CHED C[C@H](C#N)COC(=O)c1csc(C2CCCCC2)n1 842325133 SPWYNNZMYWRDIU-SNVBAGLBSA-N 278.377 3.507 30 20 CHED COC(=O)Cc1ccc(NN=C(C)CC2CCCC2)cc1 844605239 CZOHPXMHLGZDBN-UHFFFAOYSA-N 288.391 3.770 30 20 CHED CSCC1(CC(=O)O[C@@H](C#N)C2CCCCC2)CC1 845348752 USZBYSHVTOTWLY-ZDUSSCGKSA-N 281.421 3.535 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 845639158 OWFAOKYXKVIRHQ-RISCZKNCSA-N 294.370 3.718 30 20 CHED C[C@H](C#N)Oc1ccc(CNCC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 848563060 QQMMKKSLYWPQOT-LAVFITLUSA-N 296.414 3.669 30 20 CHED C=CC(C)(C)C(=O)OCc1cccc(OC)c1Cl 849787722 CXTXSZJILKZDQW-UHFFFAOYSA-N 268.740 3.604 30 20 CHED CC[C@H](OC(=O)CC1(C#N)CCCCC1)c1ccncc1 851084034 QRXXQSWPWKNXLM-HNNXBMFYSA-N 286.375 3.940 30 20 CHED C=C[C@H](OC(=O)C[C@H](C)SC)c1ccccc1 851452147 PDTARNVRRVJHSZ-AAEUAGOBSA-N 250.363 3.599 30 20 CHED N#CCOc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1 852787143 IVSJBBBUFNSYMD-WMZOPIPTSA-N 284.403 3.744 30 20 CHED CC1(C)C(=NNc2nncc3ccccc23)[C@H]2CCC[C@H]21 853261203 SKFPCJWKPZJSPO-UONOGXRCSA-N 280.375 3.854 30 20 CHED C#CCCCCCC(=O)N[C@H](CC)Cc1ccc(F)cc1 855214500 ZDFQBKISCJKGBE-QGZVFWFLSA-N 289.394 3.847 30 20 CHED CCCCC[C@@H](C(=O)N1CCC[C@H](CC#N)C1)C(C)C 855254058 DBLZRQDETPQXCP-HZPDHXFCSA-N 278.440 3.991 30 20 CHED N#Cc1sc(NC(=O)C2CCC3(CC2)CC3)nc1Cl 857617054 DASIPYWYDXICCL-UHFFFAOYSA-N 295.795 3.577 30 20 CHED C=CCN(C(=O)c1sc(Cl)nc1C)C(C)(C)C 857651123 SUECFJBAMMOUJK-UHFFFAOYSA-N 272.801 3.532 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)Cc1ccc(F)c(Cl)c1 860647214 UVJBTSCLPHYWLH-GFCCVEGCSA-N 283.730 3.503 30 20 CHED C=CCC[C@H](C(=O)OCc1cnsc1)c1ccccc1 861207422 BVHSMFCQDBINHC-HNNXBMFYSA-N 287.384 3.936 30 20 CHED C[C@@H](Cn1cc(C#N)c(=O)c2ccccc21)C(C)(C)C 865354991 DJWRCKTZJBRSPO-LBPRGKRZSA-N 268.360 3.555 30 20 CHED C=CC[C@@H](C(=O)OC1CCSCC1)c1ccccc1 873556458 JCDYVBQNBQIJMA-OAHLLOKOSA-N 276.401 3.785 30 20 CHED C=C1CCC(C(=O)N(CCC)Cc2ccccc2O)CC1 896057729 MYYNPWWQZSEQED-UHFFFAOYSA-N 287.403 3.877 30 20 CHED C=C1CCC(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1 897088403 YOSDOPFUFYSKSL-UHFFFAOYSA-N 281.359 3.762 30 20 CHED CC(=O)Nc1ccccc1OCCCCC1(C#N)CCC1 901373755 PGCZIOSIPNKSEK-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C=C(C)C[C@H](NC1CC(C)(C)CC(C)(C)C1)C(=O)O 901679047 LYSGNBYTGBPFPV-ZDUSSCGKSA-N 267.413 3.600 30 20 CHED C=CCC[C@H](CC)N[C@H](C)[C@H](Cc1ccccc1)C(=O)O 901871464 MAYWIIVJKZJCSD-PVAVHDDUSA-N 289.419 3.653 30 20 CHED C=CCOc1ccc(Cc2nc(-c3ccccc3)no2)cc1 904238684 BENAXLGSGGSBMT-UHFFFAOYSA-N 292.338 3.892 30 20 CHED C=C1CCC(c2nc(-c3ccc4c(c3)CCO4)no2)CC1 904688884 BQXLLJDZAPLKBR-UHFFFAOYSA-N 282.343 3.885 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(CN(C)C)cc1C 909602232 USBBCDAFCNGPFP-UHFFFAOYSA-N 274.408 3.597 30 20 CHED COc1ccc(C=NNc2cc(C)cc(C)c2)cc1OC 916346438 BBCFEGNHGAHGEN-UHFFFAOYSA-N 284.359 3.767 30 20 CHED N#CCCCOc1cccc(Nc2nccs2)c1 917089892 POZRDQJJAFODKP-UHFFFAOYSA-N 259.334 3.569 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cccc(C#N)c2)c(C)c1 917668994 PATFJSZXLAIZMQ-UHFFFAOYSA-N 279.343 3.843 30 20 CHED C=CCN(C(=O)N[C@H]1CCCC[C@@H]1CC)C(C)C 918074376 NDHBAYBJGMTDQE-KBPBESRZSA-N 252.402 3.561 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1 920790438 YKHXXPUGBWUPFG-FMKPAKJESA-N 298.386 3.550 30 20 CHED C=CCCCNC(=O)Nc1c(C(C)C)nc2ccccn12 933759228 PGBIVFWOSKWLAE-UHFFFAOYSA-N 286.379 3.545 30 20 CHED C=C[C@H](CC)CC(=O)NCc1coc(-c2ccc(C)cc2)n1 933912672 RKDRQTSYWKJRRW-CQSZACIVSA-N 298.386 3.869 30 20 CHED C=CCn1cnnc1S[C@H](C)c1ccc(Cl)cc1 1115878914 PWHRJBYICSCGND-SNVBAGLBSA-N 279.796 3.971 30 20 CHED Cc1cc(F)cc(NC(=O)Nc2ccc(OCC#N)cc2)c1 1116316516 XEAMAZBTLKCDCS-UHFFFAOYSA-N 299.305 3.681 30 20 CHED Cc1sc2ncnc(NN=C[C@H](C#N)C(C)C)c2c1C 1116347926 FNWBJZJVVGHAJV-NSHDSACASA-N 287.392 3.502 30 20 CHED C=C1CC(c2noc(C(F)(F)c3ccccc3C)n2)C1 1119521263 PWAMQTOAAZHUNC-UHFFFAOYSA-N 276.286 3.952 30 20 CHED C=C(C)CCC(=O)N1CCSC[C@H]1c1ccccc1 1120949179 ACYVJTRRZDLRPE-HNNXBMFYSA-N 275.417 3.659 30 20 CHED N#CCC1(OC(=O)c2ccc(F)c3occc23)CCC1 1122999168 IWHAPRSFKXVBMK-UHFFFAOYSA-N 273.263 3.565 30 20 CHED CCN(Cc1c(F)cccc1F)c1cc(C)c(C#N)cn1 1185180643 PUYMNPUTODFUTE-UHFFFAOYSA-N 287.313 3.566 30 20 CHED CC[C@H](Nc1cccc(CC#N)n1)c1ccc(OC)cc1 1253072011 ULGQOYSTBLMOJB-INIZCTEOSA-N 281.359 3.719 30 20 CHED C=CCn1cnnc1S[C@@H]1CCc2cc(Cl)ccc21 1257405507 QJPYOCMSULWADP-CYBMUJFWSA-N 291.807 3.897 30 20 CHED Cc1coc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1C 1322457508 ARIFRGYFHSJULD-UHFFFAOYSA-N 298.342 3.808 30 20 CHED C=CC[C@H](C)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1322942834 ZOZYZFSHFNSTSO-JTQLQIEISA-N 276.767 3.824 30 20 CHED COc1cccc2cc(CNc3ccc(C#N)c(C)n3)oc12 1324062244 YYGGARDLJHGTEK-UHFFFAOYSA-N 293.326 3.629 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1[nH]c2ccc(C)cc2c1Cl 1325093752 KQDQOFIVCGWPMT-HNNXBMFYSA-N 289.766 3.552 30 20 CHED Cc1ccccc1C1(C(=O)N(O)Cc2ccc(F)cc2)CC1 1333205050 RVLJSMUECLMNQO-UHFFFAOYSA-N 299.345 3.584 30 20 CHED C=C(C)CCC(=O)NC[C@@H]1CCCCC(F)(F)C1 1337357939 PVCUQVMEDDZONZ-GFCCVEGCSA-N 259.340 3.675 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1nc2ccccc2s1 1339278765 GZDRPHFBRAUMOV-GFCCVEGCSA-N 286.400 3.867 30 20 CHED O=C(C1=CCCC1)[C@@H]1CCC[C@H]1C(=O)C1=CCCC1 1344307326 RPHATHRUZCLEPV-HUUCEWRRSA-N 258.361 3.762 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2occc2-c2ccccc2)C1 1344604795 CEYGZVOKOFXCIE-JSGCOSHPSA-N 281.311 3.796 30 20 CHED C=C(CC)C(=O)N1CCC(c2nc3ccccc3o2)CC1 1346234170 JFFWAOWTOKUSEW-UHFFFAOYSA-N 284.359 3.500 30 20 CHED C=C[C@H](OC(=O)[C@H]1CCOC(C)(C)C1)c1ccccc1 1346490159 YZVFKENICYLNAI-GJZGRUSLSA-N 274.360 3.662 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 1353468034 RDSGBGKAIQVDJH-NSHDSACASA-N 267.319 3.841 30 20 CHED C[C@@H](OC(=O)c1cc(F)cc2ccoc12)C(C)(C)C#N 1358104756 JHFIIGAGGHKZQM-SECBINFHSA-N 275.279 3.667 30 20 CHED CC(C)Oc1cccc(NC(=O)c2cc(C#N)cs2)c1 1436338751 FNNNYCDIEQVUSD-UHFFFAOYSA-N 286.356 3.659 30 20 CHED CC1(C)CC(CNc2nc(C#N)c(Cl)s2)C1 1458334720 XLJOMLHXWBYVAZ-UHFFFAOYSA-N 255.774 3.516 30 20 CHED C[C@@H]1C[C@@H](CCNc2cc(C#N)ncn2)CC(C)(C)C1 1458358869 KMZYJWOKYUECDU-CHWSQXEVSA-N 272.396 3.613 30 20 CHED C=C(CNc1ccnc(C(C)(C)C)n1)c1ccccc1 1458415281 UMZGOLFGXMZLIH-UHFFFAOYSA-N 267.376 3.899 30 20 CHED CO[C@]1(C)C[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C1(C)C 1461885191 URFABFMPAVLIBH-SJLPKXTDSA-N 286.419 3.502 30 20 CHED Cc1cc(C)cc(C2CCN(c3ccncc3C#N)CC2)c1 1472895791 HXTCFMYZEAWPLX-UHFFFAOYSA-N 291.398 3.954 30 20 CHED C=C[C@@H](C(=O)N1CCC[C@@H]1c1cccn1C)c1ccccc1 1520753911 RDZOGHHSGSKVQH-SJLPKXTDSA-N 294.398 3.658 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1ccc(C#N)cc1OC 1523418131 SBUCEENSSHXSQV-CYBMUJFWSA-N 288.391 3.513 30 20 CHED CC1(CCC(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)CC1 1525234528 SJDYFRNMKUMMNL-CYBMUJFWSA-N 293.313 3.523 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1c1ccco1 1532392692 LAIPXRYPUPDZFE-VXGBXAGGSA-N 286.718 3.547 30 20 CHED Cc1cc(F)ccc1COC(=O)[C@@H](CC#N)c1ccccc1 1534636102 YKLYMZVJXFMSEU-KRWDZBQOSA-N 297.329 3.875 30 20 CHED CCc1ccc(C(=O)N(CC)[C@@H](C#N)CC)cc1CC 1538447835 LPJLERBHBAVAMO-MRXNPFEDSA-N 272.392 3.576 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc2oc(C)nc2c1 1548618336 GJABULHXSRXRSA-UHFFFAOYSA-N 258.321 3.677 30 20 CHED CCO[C@@H]1C[C@@H](Nc2cc(C)c(C#N)cn2)C12CCCCC2 1559104936 CEVUIOUJUXRPLW-HZPDHXFCSA-N 299.418 3.802 30 20 CHED C=CCCC[C@H](NCC1(CC(=O)O)CC1)c1ccccc1 1588797647 IIHVKNIMWYTEEI-INIZCTEOSA-N 287.403 3.929 30 20 CHED CCCC[C@H](S[C@H](C#N)c1ccccc1)C(=O)O 1605250612 MARRUIWSCZVGNS-QWHCGFSZSA-N 263.362 3.628 30 20 CHED N#Cc1nc(Nc2ccc(F)cc2)sc1Cl 1611728073 FUOKGEGCZMUBEV-UHFFFAOYSA-N 253.689 3.551 30 20 CHED CN(C(=O)Nc1cc(F)cc(C#N)c1)[C@H]1CCC(C)(C)C1 1626925926 XPORYHBCPVUKMU-AWEZNQCLSA-N 289.354 3.740 30 20 CHED N#Cc1cnc(NCc2ccc(-c3ccccc3)o2)c(F)c1 1642104954 ZJFWFLMDXGRCGG-UHFFFAOYSA-N 293.301 3.964 30 20 CHED N#Cc1ccc(Oc2cccc(-c3ccccn3)c2)nc1 1642986381 NVYABKAQLITTAE-UHFFFAOYSA-N 273.295 3.808 30 20 CHED CO[C@H](CSc1cccnc1C#N)c1ccc(F)cc1 1643924730 LAYNBEVINKMNAX-CQSZACIVSA-N 288.347 3.572 30 20 CHED Cc1cc(=N[C@H](C)c2cc3ccccc3o2)c(C#N)c[nH]1 1655374840 UFYRZHVRYCKHHG-GFCCVEGCSA-N 277.327 3.603 30 20 CHED C[C@H](CSCc1cc(C#N)ccn1)c1ccccc1 1656521497 WAUDRPXWALWAPI-CYBMUJFWSA-N 268.385 3.990 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2sccc2C#N)C1 1671449271 DDFWBWQNXZOBOO-JQWIXIFHSA-N 277.393 3.710 30 20 CHED C=C(Cl)CNC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 1683545804 ZCCBJKVNULVRGV-CHWSQXEVSA-N 286.847 3.891 30 20 CHED O=C(O)/C=C\c1ccc(/C=C/C(=O)c2ccccc2F)cc1 1776131447 RKNFRZJTTZQANO-IXIPZQGVSA-N 296.297 3.820 30 20 CHED C=CCCCCN1CC[C@H](CC(=O)O)c2ccccc21 1776207825 SBVSJCZPNXFKIV-CQSZACIVSA-N 273.376 3.811 30 20 CHED CCOc1ccc(/C=N/CC2(c3ccccc3)CC2)c(O)c1 22690399 UONDEVNPOWDYLF-DEDYPNTBSA-N 295.382 3.942 30 20 CHED C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(C#N)cc1 26135339 PYWNUUZCYATVOT-LBPRGKRZSA-N 298.773 3.632 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(F)cc2)c1 33447287 GRFCLYLDLHMARH-YFHOEESVSA-N 283.302 3.680 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1cccc([N+](=O)[O-])c1 36138447 YHFDRJFASBZPOL-JTQLQIEISA-N 285.278 3.779 30 20 CHED COc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1F 37256511 GAHDUGHBXNXWHE-LLVKDONJSA-N 270.307 3.879 30 20 CHED Cc1cc(N[C@H](C)c2ccc(C#N)cc2)nc(C(C)C)n1 37502115 QWHBYRQTLZLYKI-CYBMUJFWSA-N 280.375 3.953 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(C#N)cc2F)c(C)o1 44730549 OIUVRPIQUPMBCI-LLVKDONJSA-N 272.323 3.758 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(C)cc1 44766775 LTQUOJHTVRHHEJ-CYBMUJFWSA-N 258.365 3.502 30 20 CHED CC1CCC(N(C)CCCOc2ccc(C#N)cc2)CC1 48334903 GYWCNQDNKUUCBR-UHFFFAOYSA-N 286.419 3.838 30 20 CHED Cc1cc(C(=O)Nc2cccc(OCC#N)c2)sc1C 49297516 ISICBZGFCVGGEX-UHFFFAOYSA-N 286.356 3.520 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1nc2c(C)cccc2s1 49341079 JKLKAPLWWAIZCN-LLVKDONJSA-N 290.388 3.524 30 20 CHED N#CCc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 49633444 KBSKHKLWMVKCOR-SFHVURJKSA-N 290.366 3.730 30 20 CHED Cc1ccc(C)c(N(C)C(=O)CCc2ccc(C#N)cc2)c1 55895124 AGLOANAGCIMLDL-UHFFFAOYSA-N 292.382 3.771 30 20 CHED CCCCCCCNC1CCN(c2ccccn2)CC1 59419550 YMFGNYNBFGMQSN-UHFFFAOYSA-N 275.440 3.610 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CC(F)(F)F)cc1 66397382 FTWUZNDBAZOEGH-GFCCVEGCSA-N 298.308 3.617 30 20 CHED C=C(C)COc1cccc(NC(=O)C2(C#N)CCCC2)c1 66463445 CJKRAJMEXODSAO-UHFFFAOYSA-N 284.359 3.664 30 20 CHED C=C(C)CN(CC)C(=O)CNc1cccc2ccccc12 70924799 XKKFXLMRBWKUJV-UHFFFAOYSA-N 282.387 3.676 30 20 CHED CCc1ccc([C@@H](COC)Nc2cccc(F)c2C#N)o1 78341287 ITONEXOTCMNONC-OAHLLOKOSA-N 288.322 3.652 30 20 CHED N#Cc1ccc(CNc2cc(C(F)(F)F)ccn2)c(F)c1 78591864 CBXDBVDTPGGEII-UHFFFAOYSA-N 295.239 3.723 30 20 CHED N#CC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCC1 83794808 XEXWMAOYFWXFTA-UHFFFAOYSA-N 269.131 3.626 30 20 CHED Cc1cccc2c1N(C(=O)c1cc(C#N)cs1)CCC2 84073243 UFMRSGZGSLGLGE-UHFFFAOYSA-N 282.368 3.521 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)Sc1ccccc1Cl 84710401 LJUPQXQZEGWXFL-VHSXEESVSA-N 283.780 3.666 30 20 CHED C[C@H]1C[C@@H](Nc2c(C#N)nnc3ccccc23)CC[C@H]1C 85920674 ZGALWLXONWBILC-AGIUHOORSA-N 280.375 3.738 30 20 CHED N#Cc1ccc(NCc2cncs2)cc1C(F)(F)F 88191362 PLBITTWHCJPXNN-UHFFFAOYSA-N 283.278 3.646 30 20 CHED C[C@@H](CC1CCCC1)NCc1cccc(OCC#N)c1 89631461 HGTNZDFACBZHKD-AWEZNQCLSA-N 272.392 3.647 30 20 CHED CCN(Cc1cnc(-c2ccc(C)o2)s1)C[C@@H](C)C#N 91984059 RSFCGBNEJZIWCY-NSHDSACASA-N 289.404 3.693 30 20 CHED CC(C)CC1(C(=O)NCc2ccc(C#N)cc2)CCCC1 94816822 PGFPIJQNXLDXFM-UHFFFAOYSA-N 284.403 3.781 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)s1 96766315 HIMFCAVCFVMKGB-HJWRWDBZSA-N 253.326 3.824 30 20 CHED C=CCn1c(SCCCCC)nnc1-c1ccncc1 97363103 QOSHPQVFBASLMM-UHFFFAOYSA-N 288.420 3.808 30 20 CHED C=CCCC(=O)N(c1ccc(OC)c(F)c1)C(C)C 102259945 WOXSAFOXBBQORL-UHFFFAOYSA-N 265.328 3.542 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1 113324654 XWBNVOJTPLFQQE-MRXNPFEDSA-N 279.383 3.858 30 20 CHED Cc1csc([C@@H](C#N)C(=O)[C@H](C)CC2CCCC2)n1 114617306 FUNHPMGFPPEQRJ-MFKMUULPSA-N 276.405 3.844 30 20 CHED CC(C)[C@H](CC1CCCCC1)C(=O)N[C@H](C)CC#N 115350612 ZRRRWJWRICDCBK-HIFRSBDPSA-N 264.413 3.647 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)N[C@](C)(C#N)C(C)C 116185470 TZACOFVHWQEIMX-RHSMWYFYSA-N 272.392 3.543 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2cc(F)ccc2o1 117591710 VOQWFIFPOUIOML-UHFFFAOYSA-N 261.296 3.610 30 20 CHED COCCOc1ccccc1/C=C/C(=O)c1occc1C 119012533 NKUAODXUJDQGLZ-BQYQJAHWSA-N 286.327 3.509 30 20 CHED CCOc1cc(/C=C/C(=O)c2occc2C)ccc1O 119013829 ZNUJSBPLJFWAGX-FNORWQNLSA-N 272.300 3.588 30 20 CHED CCCCCCCS(=O)(=O)Cc1csc(CC)n1 119045171 DKURJHXFQDSGCQ-UHFFFAOYSA-N 289.466 3.591 30 20 CHED C#CCCCCC(=O)N[C@@H](C)C(C)(C)c1ccccc1 120090225 RFSDGFJDZXMSDM-HNNXBMFYSA-N 271.404 3.663 30 20 CHED CCN(Cc1ccc(C#N)s1)[C@H](C)c1cccc(O)c1 120105577 GSWVCIKFNUKULF-GFCCVEGCSA-N 286.400 3.908 30 20 CHED C[C@@H](NC[C@@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 121011309 VYGQESRCHYPRMW-VXGBXAGGSA-N 295.308 3.800 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)cc2cccnc12 123168915 YNDIWQORTNWZBX-GFCCVEGCSA-N 269.348 3.629 30 20 CHED C[C@@H](Cc1ccc(O)cc1)Nc1ccc(CC#N)cc1 126646619 FTKNPSQKTGYDGS-ZDUSSCGKSA-N 266.344 3.501 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2SCCC#N)nc1 131818078 XCFCNZVIENCMAG-UHFFFAOYSA-N 297.383 3.648 30 20 CHED COc1ccc(CNCc2cc(C#N)cs2)cc1Cl 132327582 QLCAPNWQLPAPEC-UHFFFAOYSA-N 292.791 3.572 30 20 CHED C#Cc1cccc(NC(=O)Cc2ccc(F)cc2Cl)c1 134689186 DRYMSOKUKPYLEN-UHFFFAOYSA-N 287.721 3.642 30 20 CHED C[C@H]1SCCN(Cc2ccccc2C(C)(C)C#N)[C@@H]1C 135239498 ZDNUWOGATWEWFE-ZIAGYGMSSA-N 288.460 3.814 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 148794053 SXJGIYIDZZNOQN-BRWVUGGUSA-N 290.451 3.991 30 20 CHED N#Cc1cccc(CNCCc2cc3ccccc3o2)c1 152567789 KGYNSOJASLSWAY-UHFFFAOYSA-N 276.339 3.637 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 153739809 GLYYFEOQBWAIKS-GFCCVEGCSA-N 291.354 3.681 30 20 CHED C=C(C)CNC(=O)Nc1ccc(O[C@@H](C)CC)cc1 156860827 NWTDRBNNSVYEKF-LBPRGKRZSA-N 262.353 3.562 30 20 CHED CN(C(=O)c1ccc(F)c(Cl)c1)c1cccc(C#N)c1 159330804 JEQYZZMVRMTBAY-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C=C(C)CNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 161221944 TUZHXEGLZCYALF-LLVKDONJSA-N 285.309 3.891 30 20 CHED CCCCCCCS(=O)(=O)Cc1ccccc1F 164443244 NSYKXSQYZAFSMB-UHFFFAOYSA-N 272.385 3.711 30 20 CHED CC[C@@H](C)[C@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C 171153599 DZILIHQNUUZJNR-NEPJUHHUSA-N 290.411 3.671 30 20 CHED CCc1ccccc1NC(=O)NCc1cc(C#N)ccc1F 174537417 BLUFQIWNQJYWMA-UHFFFAOYSA-N 297.333 3.581 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(CC#N)cc2)C1 174714223 DOWOKPVEPQPLBG-KBPBESRZSA-N 285.391 3.795 30 20 CHED CC(C)(C#N)CCCN(Cc1ccco1)C[C@@H]1CCCO1 174832901 LGKUSDYCNZXGTH-INIZCTEOSA-N 290.407 3.591 30 20 CHED COc1ccc(F)cc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 175755091 WPNRQDIQIOTCIN-NSHDSACASA-N 299.301 3.624 30 20 CHED C=CCCCC(=O)N1CCSC[C@H]1c1ccccc1 177861583 CLJBEIDHYFQVRW-HNNXBMFYSA-N 275.417 3.659 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)c1ccc2ccccc2n1 177898272 JDGKYNPCYOAVIP-CQSZACIVSA-N 287.366 3.957 30 20 CHED C#CCCCNC(=O)N1CCC[C@H]1CCCc1ccccc1 178731970 VHQXRUKDUQGDNI-GOSISDBHSA-N 298.430 3.597 30 20 CHED N#Cc1ccc(/C=C/c2cc(Cl)ccc2F)nc1 178878349 HNQUAEYNUNLTLC-GORDUTHDSA-N 258.683 3.916 30 20 CHED O=C1/C(=C/c2cccc3nccn23)CCc2ccccc21 178941204 XKIGLTVTFYFLAT-WYMLVPIESA-N 274.323 3.547 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1ccccc1C 179792237 ZGEWMULYCQTNEG-KRWDZBQOSA-N 269.388 3.852 30 20 CHED C=C(C)CN(C)Cc1nc2cc(C(F)(F)F)ccc2n1C 181049557 RVWVGJSPCBITMP-UHFFFAOYSA-N 297.324 3.600 30 20 CHED C#CCCCCC(=O)OCCCSC(C)(C)C 181613140 PCSWVHWHJKJAQK-UHFFFAOYSA-N 256.411 3.645 30 20 CHED Cc1cccc(-c2cncc(C(=O)OC(C)(C)C#N)c2)c1 181849542 XVMMUWSCXIJLEB-UHFFFAOYSA-N 280.327 3.516 30 20 CHED Cc1ccc2ncc(CNc3ccc(Cl)c(C#N)c3)n2c1 182051056 GQEOFILKHGUDNJ-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1cccc(OC)c1 182653178 HCRFJFWGRLAXHF-KGLIPLIRSA-N 275.392 3.660 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 183224813 RRKLOPYHIRDWRA-LRDDRELGSA-N 290.382 3.667 30 20 CHED C=CCCC(=O)Nc1cc(Br)c(C)cc1OC 183926357 YDYUZGMZJUXZSK-UHFFFAOYSA-N 298.180 3.671 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cccc(Oc3cnccn3)c2)C1 185726594 XAIKPNGDPKHDMF-UONOGXRCSA-N 294.358 3.763 30 20 CHED Cc1ccc(C[C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c(C)c1 185825694 MKMUXPWZKOTWGJ-XYJFISCASA-N 270.420 3.906 30 20 CHED CC#CCCCC(=O)N[C@H]1CCCc2ccc(C)cc21 185966983 ODZPGHHOCFQUIB-KRWDZBQOSA-N 269.388 3.682 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 186018978 DHFSUDGUQRXRAD-JTQLQIEISA-N 277.330 3.519 30 20 CHED COc1ccc(F)cc1[C@@H](C)NCc1ccc(C#N)cc1C 186320092 ZTUJLWNMURTWKO-CYBMUJFWSA-N 298.361 3.865 30 20 CHED C=CC[C@H](C(=O)N[C@@H](C)c1nccs1)c1ccccc1 187654721 GJYSRUSFURJCJG-JSGCOSHPSA-N 286.400 3.680 30 20 CHED CC[C@H](C#N)Sc1nc(-c2ccccc2)c(C)[nH]1 187997013 NRUQOYHLQZYHDY-GFCCVEGCSA-N 257.362 3.779 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(NC(=O)OC)cc1 188058939 FODUWOGUCKJQMS-INIZCTEOSA-N 291.347 3.510 30 20 CHED N#Cc1ccc(OC[C@@H](O)CC2CCCC2)cc1Cl 188632922 ALPSAHPBBUTODX-ZDUSSCGKSA-N 279.767 3.532 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCCc2ccc(C)cc21 188698011 OVWXXDKQSWQWLD-GOSISDBHSA-N 287.403 3.503 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc(C)c1F 189932113 BHJRBCLJUKKQFM-UHFFFAOYSA-N 276.355 3.679 30 20 CHED N#CCCCSC[C@@H]1CCC2(CCCCC2)O1 191025480 BYBCHNYFVLFCHU-ZDUSSCGKSA-N 253.411 3.905 30 20 CHED C#CCCCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 192087889 ZYWAGJKNSQVRTG-IBGZPJMESA-N 291.394 3.890 30 20 CHED CC(C)Sc1ccccc1C(=O)OCCCC#N 194455705 WNGMQRHWNBBRFY-UHFFFAOYSA-N 263.362 3.648 30 20 CHED C[C@H](Oc1cc(F)ccc1F)c1cccc(C#N)c1 194643992 MRQMLPLZDRIVGY-JTQLQIEISA-N 259.255 3.976 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 221385483 SGFISBHMSXALGR-SJORKVTESA-N 256.393 3.863 30 20 CHED N#Cc1ccc(/C=C\c2ccccc2Br)nc1 255844569 MTLZKPPGZJALSD-VURMDHGXSA-N 285.144 3.886 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1ccc(Cl)nc1 255864950 KTWFJONHXCXRTR-DJWKRKHSSA-N 279.673 3.909 30 20 CHED CC(CCc1ccco1)=NNc1ccc([N+](=O)[O-])cc1 263626660 YNSUFFNAUYJPTM-UHFFFAOYSA-N 273.292 3.608 30 20 CHED CCOc1cccc(C=Nc2ccc(OC)cc2)c1O 263628745 CDVRYGWHTFMWRG-UHFFFAOYSA-N 271.316 3.550 30 20 CHED CCC(C)(C)C(=O)Nc1cccc(OCCCC#N)c1 263775992 NUPHCMHPSFETQO-UHFFFAOYSA-N 274.364 3.744 30 20 CHED N#Cc1cccc(N2CC[C@H](CSc3ccccc3)C2)n1 266217608 PNWFBWLORGGVKN-AWEZNQCLSA-N 295.411 3.572 30 20 CHED C=CCN(C(=O)c1csc(-c2ccccc2)n1)C1CC1 271455711 FIKJDHBROJNOLT-UHFFFAOYSA-N 284.384 3.601 30 20 CHED C=CCCCCNC(=O)N(CCC)Cc1ccccc1O 274648159 LNTCGFLVHNPRRN-UHFFFAOYSA-N 290.407 3.670 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(SC)c1C 274679270 WIQSBVCFYOEUFP-NSHDSACASA-N 277.393 3.531 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 276195412 XVSNBQBBGROKTA-AWEZNQCLSA-N 290.407 3.752 30 20 CHED CC[C@H](N[C@@H](C)CCC#N)c1nc(C(F)(F)F)cs1 276645612 YEQQQONIHSJAOE-IUCAKERBSA-N 291.342 3.895 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C#N)c2cccnc2c1C 278251560 BYEGLDJFJVYFKS-UHFFFAOYSA-N 281.359 3.730 30 20 CHED C=CCCCCCN[C@H](Cc1nc(C)no1)c1ccccc1 278845715 LKDROFXDRVOVQT-QGZVFWFLSA-N 299.418 3.998 30 20 CHED N#Cc1cccc(NC(=O)N(CC2CCC2)CC2CC2)c1 279824690 DJELYQHEMMPBCI-UHFFFAOYSA-N 283.375 3.602 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 281037841 IQKUOOCNMPFLNI-ZDUSSCGKSA-N 299.418 3.603 30 20 CHED CN(CCC#N)C(=O)Nc1cc(Cl)c(Cl)cc1F 281405463 XDJCASGOVDXEDJ-UHFFFAOYSA-N 290.125 3.510 30 20 CHED C[C@H](Cc1cccc(C(F)(F)F)c1)NCCCCC#N 281414907 ZMLAZSSUQOTEKT-GFCCVEGCSA-N 284.325 3.920 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 281438580 RZEWLOPXDSMDRD-KBMXLJTQSA-N 272.392 3.744 30 20 CHED Cc1csc(CSCCCC2(C#N)CCOCC2)n1 281739063 FAOAHRGHHDKELJ-UHFFFAOYSA-N 296.461 3.785 30 20 CHED CCCCN(CCCCC#N)Cc1ccccc1O 282571511 ZQCVRBBEGPGEFH-UHFFFAOYSA-N 260.381 3.688 30 20 CHED C=CCC[C@@H](NCc1cccc(N(C)C)n1)c1ccco1 286227888 SRGYNFMZQSQHDS-OAHLLOKOSA-N 285.391 3.538 30 20 CHED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCC1(F)F 289949303 VWXRHSWIYONVQD-CYBMUJFWSA-N 292.373 3.965 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCCCCCC1 290873121 AQHNZFHVBRBCPK-UHFFFAOYSA-N 274.412 3.502 30 20 CHED C=CCC(C)(C)C(=O)N1CCC(n2c(C)ccc2C)CC1 292275895 OEFJWNAVVVNSIR-UHFFFAOYSA-N 288.435 3.871 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cnc2ccccc2c1 297569837 AYPCFRXOFMMQQI-UHFFFAOYSA-N 295.386 3.779 30 20 CHED Cc1cc(F)cc2c(NCCc3ccco3)c(C#N)cnc12 301371773 VLSXGVZYPKQZMZ-UHFFFAOYSA-N 295.317 3.802 30 20 CHED CC(C)CCN1CCC(CNc2ccc(C#N)cc2)CC1 301542814 NWCSOXBGGLOCLT-UHFFFAOYSA-N 285.435 3.728 30 20 CHED C=C(Cl)COc1ccc(Br)cc1F 301605746 NRRVOHWTKVELOO-UHFFFAOYSA-N 265.509 3.720 30 20 CHED CC[C@H](C)[C@@H](C)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 301750534 IHWFCGRNQQKOLU-WDEREUQCSA-N 298.346 3.861 30 20 CHED CSc1ccc(Oc2c(C#N)cccc2C#N)cc1 302858173 SXDMCVPVTBQROW-UHFFFAOYSA-N 266.325 3.944 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)[C@@H](C)CC 302944150 BSOANSZNRLJZEE-HOTGVXAUSA-N 288.435 3.861 30 20 CHED CC(C)(C)C[C@H]1CCN(c2nc(Cl)c(C#N)s2)C1 307805468 BICMBVAUVHPBRB-SECBINFHSA-N 283.828 3.931 30 20 CHED CC1(C)CC[C@H](Nc2ncc(Br)cc2C#N)C1 310103378 YWSFRQLDHQZPJM-NSHDSACASA-N 294.196 3.706 30 20 CHED CC[C@H](Nc1cccc(OCCCC#N)c1)[C@H]1CCOC1 314486230 KWADESPTAZZPFC-YOEHRIQHSA-N 288.391 3.596 30 20 CHED C#Cc1cccc(NCc2cc3c(cc2OC)C[C@@H](C)O3)c1 316519761 WBAQLXWAZRALLW-CYBMUJFWSA-N 293.366 3.612 30 20 CHED CCC[C@@H](NCc1cc(C#N)ccc1OC)C1CCC1 324864224 HVQMCHJXHCCFHB-MRXNPFEDSA-N 272.392 3.625 30 20 CHED C[C@@H]1CCC[C@@H]1/N=C(/O)c1cccc(/C(O)=N/C2CC2)c1 328769243 GJLYYMGLQPQFDN-ABAIWWIYSA-N 286.375 3.647 30 20 CHED Cc1nccc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n1 329618885 FBLJNSRCJWSGPZ-MGPQQGTHSA-N 273.380 3.980 30 20 CHED OC(=Nc1ccc2nc(C3CC3)oc2c1)N1C[C@@H]2CCC[C@@H]21 329920952 HFRDKEJIFBZQCI-FZMZJTMJSA-N 297.358 3.735 30 20 CHED CCOc1cc(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)ccc1OC 331308443 XTJIBOLJCRUDHK-VXGBXAGGSA-N 292.379 3.608 30 20 CHED Cc1ccc(C)c2c(C)c(C(=O)N[C@@H]3CCC[C@H]3C#N)oc12 331752015 GVQKCAHINKJWLH-UONOGXRCSA-N 296.370 3.780 30 20 CHED Cc1cc(C)cc(C(=O)Nc2ccccc2CC#N)c1 334197808 LDXBODADHKCDBH-UHFFFAOYSA-N 264.328 3.622 30 20 CHED N#Cc1ccc(CN[C@H]2CCCOc3ccccc32)cc1F 334668462 HLSANXJNRRZKTB-KRWDZBQOSA-N 296.345 3.701 30 20 CHED CCN(Cc1cn2ccccc2c1C#N)C1CCCC1 339084810 CBGIAFWIUCCMME-UHFFFAOYSA-N 267.376 3.575 30 20 CHED CC1(C)CCC(CNC(=O)c2cc(C#N)cs2)CC1 340359985 QECGAPMWSRTLEZ-UHFFFAOYSA-N 276.405 3.566 30 20 CHED CC[C@H](NCc1cccc(C#N)c1F)c1ccc(OC)cc1 341029466 AUTNWYIJVGXACE-KRWDZBQOSA-N 298.361 3.947 30 20 CHED C[C@@H]1CC=CC[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 341423025 LILRVUBUAHOITF-HYVNUMGLSA-N 282.387 3.750 30 20 CHED N#CCc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 344342233 ZXYNBVYIIHTCDK-CVEARBPZSA-N 294.329 3.634 30 20 CHED N#Cc1ccc(SCc2ncc(-c3cccs3)o2)nc1 344364323 FYFMWUVYEGKYNX-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc2cnccc12 344811772 MTRQXGJYIFXVDN-UHFFFAOYSA-N 298.386 3.936 30 20 CHED CC(C)n1ccnc1SCc1ccc(F)c(C#N)c1 344865500 TVGRUNWKAXYFQK-UHFFFAOYSA-N 275.352 3.767 30 20 CHED C[C@H](Sc1ccccc1)C(=O)NCC(C)(C)CCC#N 345907195 MWOKEQUQTFIKJX-ZDUSSCGKSA-N 290.432 3.613 30 20 CHED N#Cc1cnccc1/C=C/c1csc(Br)c1 347440556 KJYLFFWBABUZKE-OWOJBTEDSA-N 291.173 3.948 30 20 CHED N#C[C@H]1CC[C@H](NCc2cccc3ccccc23)C1 349799123 GUNZQPQAODQZDV-BBRMVZONSA-N 250.345 3.622 30 20 CHED N#CCn1c(/C=C\c2cccs2)nc2ccccc21 352027015 NANJKSCCOGIZJN-FPLPWBNLSA-N 265.341 3.792 30 20 CHED C=C(C)CN(Cc1cncc(C)c1)Cc1cnn(C(C)C)c1 352922385 RCVDZAPLVCUSNZ-UHFFFAOYSA-N 298.434 3.746 30 20 CHED CC1(C)CCCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 353382798 PRMOUWXRMATNKO-UHFFFAOYSA-N 296.414 3.894 30 20 CHED C=C[C@H](CO)N[C@H](CC)c1ccc(Cl)c(Cl)c1 353570139 DGNDZZXFTRHKMU-ZWNOBZJWSA-N 274.191 3.581 30 20 CHED C=CCCc1nc([C@H]2CCCc3ccccc32)no1 355885943 FMYDPMRLPMPUHP-AWEZNQCLSA-N 254.333 3.656 30 20 CHED C[C@H]1CCC[C@@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 356369904 QQTXDASIRAJFFJ-GXTWGEPZSA-N 287.407 3.880 30 20 CHED C[C@@H]1CCN(c2ncc(C#N)cc2Cl)CC12CCC2 356795804 PXCCLHGFUSFNJK-LLVKDONJSA-N 275.783 3.623 30 20 CHED C[C@@H]1CC[C@H](N(C)C(=O)C[C@@H](CC#N)c2ccccc2)C1 357147574 NHGQKCPVZZRIFA-OIISXLGYSA-N 284.403 3.721 30 20 CHED C=C(CC)CN1CCC[C@H]1Cn1c(C)nc2ccccc21 358869547 HYNGVGVYCVGNSE-INIZCTEOSA-N 283.419 3.775 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(SC)n1 360233331 HBSKDNOQGLTNTO-UHFFFAOYSA-N 262.378 3.510 30 20 CHED C=CCC[C@H](N[C@@H]1CCN(C(C)=O)c2ccccc21)C1CC1 362032411 LWSLELURJDLMIO-ZWKOTPCHSA-N 298.430 3.819 30 20 CHED C=CC[C@@H](C(=O)N1CCC2(CC1)CC2)c1ccccc1 363780979 PQSISSVYTIRQOC-MRXNPFEDSA-N 269.388 3.749 30 20 CHED C=CC[C@H](C(=O)N1CC2CCC1CC2)c1ccccc1 364420091 UTBFPNHJEAZZKE-PREGVCBESA-N 269.388 3.747 30 20 CHED C=CC[C@@H](CC)NCc1cc(Br)ccc1O 381302432 ISNUDJAWIMHNMM-GFCCVEGCSA-N 284.197 3.599 30 20 CHED C=CCCCSc1ccc(Br)cn1 388631259 LAXKQCOEBNQDHH-UHFFFAOYSA-N 258.184 3.902 30 20 CHED CCc1c(C)sc(NC(=O)[C@H](C)C(C)(F)F)c1C#N 410432342 JIGBJCVSMOEOEV-ZETCQYMHSA-N 286.347 3.720 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 410963726 GKNVRNCYUSSNIJ-MJVIPROJSA-N 286.762 3.557 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(F)cn2)CCCCC1 411044754 AIOBTQIDASWFIJ-UHFFFAOYSA-N 276.355 3.710 30 20 CHED C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1(C)C 412256670 VZTLGIQSJNNSFP-XOKHGSTOSA-N 296.414 3.556 30 20 CHED C[C@@H]1OCC[C@H]1SCCC1(C#N)CCCCC1 413000171 NCJKSPZDHCFECB-QWHCGFSZSA-N 253.411 3.761 30 20 CHED CC(C)[C@@H](CNc1ncc(C#N)cc1F)Nc1ccccc1 413033787 ABRZNYMMIOSBHN-MRXNPFEDSA-N 298.365 3.641 30 20 CHED Cc1cc(F)cc(Br)c1OCC1(C#N)CCC1 418973830 FCSJCLRLDTUYNH-UHFFFAOYSA-N 298.155 3.969 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N1CCc2c(C#N)cccc21 421658075 RCLZIFPWJOLIMF-CJNGLKHVSA-N 282.387 3.664 30 20 CHED Cc1cc(N(C)[C@@H](C)c2cccc(C#N)c2)nc(C2CC2)n1 425285195 RNKPNTYQRZFOIN-ZDUSSCGKSA-N 292.386 3.732 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(Cl)s1 429893323 YOGUABBMIXJLKC-UHFFFAOYSA-N 271.813 3.663 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(C#N)ccc1C 432767663 UIQLTMZQEOSRKY-UHFFFAOYSA-N 271.364 3.591 30 20 CHED CC[C@@H]1CCCCN1C(=O)[C@@H](C#N)CCc1ccccc1 433103511 LKSAFIPPSDKQRW-IAGOWNOFSA-N 284.403 3.550 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 435692065 NMKTYSSJYLDOGZ-CZUORRHYSA-N 288.391 3.794 30 20 CHED COCc1noc([C@H](C)SCCCCC(C)(C)C#N)n1 435893847 RTYCNKIXRWSEED-NSHDSACASA-N 297.424 3.730 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)Cc2cc(C)ccc2F)c1 436428758 KZCFSYRKMCOVHK-UHFFFAOYSA-N 296.345 3.845 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(C)cc2O)c1 436705883 AQQXUADRSMNSBR-UHFFFAOYSA-N 283.327 3.518 30 20 CHED CC(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 437400670 OHCMRBBTRCAGIL-AWEZNQCLSA-N 294.345 3.780 30 20 CHED CC(C)(C)CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 438631676 BMHPOUVFWSOLIN-UHFFFAOYSA-N 299.296 3.745 30 20 CHED C=CC[C@H]1N(C(=O)N[C@@H](C)CC2CC2)CCCC1(C)C 444975308 LJRAELWRVFJXDP-DZGCQCFKSA-N 278.440 3.951 30 20 CHED C[C@H](CN1CCC[C@]2(CCCCO2)[C@H]1C#N)c1ccccc1 447913079 HXLGSNQTMWOYOO-BHIYHBOVSA-N 298.430 3.717 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 448660309 ZYBCUQXVLKTECG-FUHWJXTLSA-N 296.414 3.876 30 20 CHED C=CCCCCCN(C)C(=O)[C@H]1CC12CCSCC2 449912581 FYDIHOWTRMMBIL-CQSZACIVSA-N 281.465 3.725 30 20 CHED CCn1c(SCC2(C#N)CCC2)nc2ccccc21 450569222 UPNNWYYXGDLACZ-UHFFFAOYSA-N 271.389 3.842 30 20 CHED N#Cc1cc(Cl)ccc1N1CCC[C@]2(CCSC2)C1 450900335 GKVDTWWOXUNRAF-HNNXBMFYSA-N 292.835 3.935 30 20 CHED N#CCc1ccc(NC(=O)CCC(F)(F)F)c(Cl)c1 452647206 ROTUNBKOXMWRTD-UHFFFAOYSA-N 290.672 3.687 30 20 CHED C=CCC[C@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)C1CC1 453353800 CTWNYWFTJDBIPW-SOLBZPMBSA-N 286.419 3.636 30 20 CHED C=CCCCCCN(C)C(=O)NCCC1CC(F)(F)C1 455606694 YKVZNGDDGVRDAC-UHFFFAOYSA-N 288.382 3.810 30 20 CHED C=CCC1(CNC(=O)C(C)(C)C2CCOCC2)CCCC1 456509633 QQMPWOFKOAIBDP-UHFFFAOYSA-N 293.451 3.692 30 20 CHED C[C@H]1CC[C@H](CC(=O)Nc2cccc(CC#N)c2)C1 456749193 KMJHVJODHKIOHO-JSGCOSHPSA-N 256.349 3.517 30 20 CHED C=C(C)CCNCc1cc(Cl)c(O)c(OCC)c1 459574922 JSDACYOZUAJCAJ-UHFFFAOYSA-N 269.772 3.500 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N(C)[C@@H](C)CC 460791094 JHFFRWAHVUYUPK-AWEZNQCLSA-N 284.407 3.756 30 20 CHED CSc1ccccc1NCCOc1cccc(C#N)c1 462213802 XXESNXQHJSJWNA-UHFFFAOYSA-N 284.384 3.771 30 20 CHED C=CC[C@@H](CO)CNCc1ccc(C2CCCC2)cc1 462777238 LMDIONYLJXWFKE-MRXNPFEDSA-N 273.420 3.618 30 20 CHED C=CCn1c(SCCF)nnc1-c1ccc(C)cc1 463445713 VDBDYMGNSLLXII-UHFFFAOYSA-N 277.368 3.501 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)N[C@](C)(C#N)C(C)(C)C 464160443 CDVFUBOPEITXPI-RHSMWYFYSA-N 294.439 3.559 30 20 CHED C=C[C@@H](C)NC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 464759411 YCDJANJJJFQAMN-GDBMZVCRSA-N 274.408 3.532 30 20 CHED C=CC[C@H]1N(C(=O)CCC2CCOCC2)CCCC1(C)C 470296898 GRWYZQBBUHHBOV-MRXNPFEDSA-N 293.451 3.787 30 20 CHED COc1ccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)C(C)C)cc1 471583363 YPLMSTDGGBSVKK-FRFSOERESA-N 272.392 3.674 30 20 CHED C=C(C)COCCNC(=O)[C@@H](CC)CC1CCCCC1 475371279 PDKWFAQQRKVJDC-INIZCTEOSA-N 281.440 3.692 30 20 CHED N#Cc1ccc(CNCCCc2ccccc2F)c(F)c1 475578774 CWRLIPMUMQLHOZ-UHFFFAOYSA-N 286.325 3.559 30 20 CHED CC(C)C[C@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 476139617 HHTWPOIYXXWCGA-AEFFLSMTSA-N 298.430 3.969 30 20 CHED CN(Cc1cccc(F)c1)Cc1ccc(Cl)cc1C#N 480522757 GDXTYNLAUVUNHZ-UHFFFAOYSA-N 288.753 3.983 30 20 CHED C=CCCCC(=O)N(Cc1cccs1)CC(F)(F)F 481841987 ONVKHQRIUFHCBT-UHFFFAOYSA-N 291.338 3.995 30 20 CHED Cc1cccc(N(C)C(=O)CSc2ccc(C#N)cc2)c1 484315189 DYETZRCQBZQORT-UHFFFAOYSA-N 296.395 3.622 30 20 CHED CCOc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)cc1 486806006 YLQQQBMQEZDFSI-UHFFFAOYSA-N 294.398 3.897 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 487098263 GQRPHKMDFNDPPS-GXFFZTMASA-N 296.773 3.553 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 487738167 JKUDQKMPFNDTPF-DJIMGWMZSA-N 299.418 3.514 30 20 CHED Cc1nc(N2CCCC[C@H]2CC(C)C)ccc1C#N 488079281 SIJVEESIIDHRLS-HNNXBMFYSA-N 257.381 3.667 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCc1ccccc1 488845076 VREJKYZPXULQES-INIZCTEOSA-N 257.377 3.576 30 20 CHED C=C[C@H]1CCCCN1Cc1csc([C@H](C)OCC)n1 489442073 ACEQQEUQFAADFC-JSGCOSHPSA-N 280.437 3.781 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(C)nc1C)c1ccccc1 489693126 COYBQJIQEDDAIZ-INIZCTEOSA-N 280.371 3.997 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2Nc2ccc(C#N)nc2)cc1 509547622 AIHSAKJKWICHIO-ROUUACIJSA-N 293.370 3.594 30 20 CHED C=C(C)CCN[C@H](CO)c1c(Cl)cccc1Cl 510810248 LZTSNZQVGSGCKV-GFCCVEGCSA-N 274.191 3.583 30 20 CHED Cc1ccc(C)c(N(C)Cc2cc(C#N)ccc2F)c1 515511350 DXVQCWDGXIZIKF-UHFFFAOYSA-N 268.335 3.951 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1ccc([N+](=O)[O-])cc1C#N 519156357 FKAKYSBMHMFGTL-KRWDZBQOSA-N 293.326 3.874 30 20 CHED N#Cc1ccc(C2=CCN(C(=O)C3=CCCCC3)CC2)cc1 527112145 OMHNLLVGRLDIBD-UHFFFAOYSA-N 292.382 3.674 30 20 CHED C=C[C@H](Cc1nc([C@H]2CC[C@@H](C)O2)no1)c1ccccc1 528245741 WBHHNVFZRWTHRP-UMVBOHGHSA-N 284.359 3.822 30 20 CHED C/C(Cl)=C/CN1CCC(Oc2ccc(C#N)cc2)CC1 528370511 DTVVMWNGVZUCMF-MLPAPPSSSA-N 290.794 3.544 30 20 CHED CCC(C#N)(CC)C(=O)N1CCCC2(CCCCC2)C1 528531270 DRACMHCZFRYIQG-UHFFFAOYSA-N 276.424 3.889 30 20 CHED CCCC[C@@H](C)NCCSCc1ccccc1C#N 536858087 PFVXCUBUPMTECY-CQSZACIVSA-N 276.449 3.960 30 20 CHED C=CC[C@H](CC)NC(=O)NC[C@H](CC)c1ccccc1 537612890 INOFXSFICPSBET-HOCLYGCPSA-N 274.408 3.834 30 20 CHED Cc1cccc(C(C)(C)CNc2cnccc2C#N)c1 537688148 UYNNJPSACBPEPA-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C=C(CC)CN(CC)CC1CCN(c2ccccn2)CC1 539103234 MFSYJLBEMRDNPC-UHFFFAOYSA-N 287.451 3.586 30 20 CHED N#Cc1ccc(N2CCC[C@H]2C2CCOCC2)cc1Cl 539594669 YGSKMVRJZWUZRM-INIZCTEOSA-N 290.794 3.607 30 20 CHED Cc1ccnc(N[C@H]2CCc3ccc(F)cc32)c1C#N 543207021 JJZHFHADUHNZIH-HNNXBMFYSA-N 267.307 3.500 30 20 CHED C=CCOCc1nc(-c2ccc(SC)cc2Cl)no1 545805202 AIVFDYGPSAUQDC-UHFFFAOYSA-N 296.779 3.815 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cccc2cc[nH]c12 547528215 FXVJJLDZXBNVNJ-UHFFFAOYSA-N 257.337 3.598 30 20 CHED C=CCC(C)(C)CN[C@H]1CCC[C@@H](c2ccnn2C)C1 550856511 KLQLNBJLKXBYSV-CABCVRRESA-N 275.440 3.638 30 20 CHED C=CCOc1ccc(CNC(=O)c2cccc(C)c2F)cc1 552243185 SOBBGUJVERUESB-UHFFFAOYSA-N 299.345 3.629 30 20 CHED N#Cc1ccnc(NCc2cc3c(s2)CCCC3)c1 552966244 QLBORTAKFOKKCE-UHFFFAOYSA-N 269.373 3.506 30 20 CHED Cc1cccc([C@H](C)C(=O)N2CCc3ccc(C#N)cc32)c1 555770603 QFKGWCJVCPOFDT-AWEZNQCLSA-N 290.366 3.560 30 20 CHED N#Cc1cc(N2CCC(c3cccc(Cl)c3)CC2)ccn1 557662599 NERDACDVIQXLNO-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C#N)c(F)c1 572768286 COOSSCWBFJWSDW-ABAIWWIYSA-N 289.354 3.740 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cn1)c1ccccc1 574934882 LMAXWHINTDSWGB-QGZVFWFLSA-N 265.360 3.584 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)N1CCC(C#N)CC1 575407740 XFHOJLUYFJKFJW-AWEZNQCLSA-N 262.397 3.521 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CCCc2ccccc21 577136069 PUZWTACBEOLBAH-QGZVFWFLSA-N 294.354 3.609 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@@H](F)C2)CCCC1 578014260 GWLJYLGLTSZUNJ-OLZOCXBDSA-N 253.361 3.520 30 20 CHED Cc1cc(OC[C@H]2CCC3(CCCC3)O2)ccc1C#N 583008537 MXPIFIWQHNWWPB-MRXNPFEDSA-N 271.360 3.737 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCC[C@H]1CCC 590639026 AAEJXXYJMARHOU-HUUCEWRRSA-N 266.429 3.953 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@H](C1CCCCC1)C1CCC1 592080121 OALYFHYVNNSANL-XJKSGUPXSA-N 291.439 3.536 30 20 CHED CC[C@H](C#N)N(C)C(=O)CCc1ccc(CC(C)C)cc1 594096541 DJVRHELSVNDQKE-QGZVFWFLSA-N 286.419 3.578 30 20 CHED CCCOc1ccc(-c2nc(C)cs2)cc1C#N 594629449 NGARMPKBHNSDOI-UHFFFAOYSA-N 258.346 3.779 30 20 CHED CSCC1(CCN[C@H](C)c2cccc(C#N)c2)CC1 594708700 BTCWPJMIFZUIDW-CYBMUJFWSA-N 274.433 3.742 30 20 CHED CC(C)(C)OCCCSc1cccc(F)c1C#N 594898026 NQSDUUZXCWVXMS-UHFFFAOYSA-N 267.369 3.995 30 20 CHED Cc1c(Nc2nc(C#N)c(Cl)s2)cnn1CC(C)C 596181052 WIACJEBFLVFKAN-UHFFFAOYSA-N 295.799 3.573 30 20 CHED CC1(C)CC(C(=O)N2CCC(CC#N)CC2)CC(C)(C)C1 597498735 ZSWZGIGNMXLIBH-UHFFFAOYSA-N 290.451 3.991 30 20 CHED N#CC1(CC(=O)NC[C@H]2CCC[C@@H]2C2CC2)CCCCC1 597773521 IURMRWGRZPTTFD-HZPDHXFCSA-N 288.435 3.793 30 20 CHED Cc1ccc2ccnc(NC(=O)CCCCCC#N)c2c1 597841370 GFHQJSYVYACAIF-UHFFFAOYSA-N 281.359 3.956 30 20 CHED CC[C@@H](C#N)C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 598095771 HUFRFQLFOVXAAS-LBPRGKRZSA-N 264.413 3.599 30 20 CHED N#CC1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCCC1 598209519 OAHIOHSEUQSDHZ-UHFFFAOYSA-N 297.185 3.694 30 20 CHED CCCN(C(=O)[C@@H]1C[C@H]1C)c1cc(Cl)ccc1C#N 598812340 VJVWFFDPFCFVPD-ZWNOBZJWSA-N 276.767 3.611 30 20 CHED Cc1csc(NC(=O)N2CCCC(F)(F)CC2)c1C#N 599796138 XSWCPZDHLCBFLW-UHFFFAOYSA-N 299.346 3.581 30 20 CHED CC(C)c1cnc(SCCOc2ccc(C#N)cc2)[nH]1 600584356 DQSRSPFWYAKJAW-UHFFFAOYSA-N 287.388 3.576 30 20 CHED N#CCN(C(=O)C1CCC=CCC1)c1ccc(Cl)cc1 602351550 GLWJNTAFECYTEC-UHFFFAOYSA-N 288.778 3.943 30 20 CHED CO[C@@](C)(CNc1cccc(OCCCC#N)c1)C1CC1 602482415 BTFXPLHGRPRDTF-KRWDZBQOSA-N 288.391 3.596 30 20 CHED CCc1ccc([C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 609018465 ALRALQFCMXXUJS-ZDUSSCGKSA-N 278.355 3.863 30 20 CHED C[C@@H](NCc1nc2c(s1)CCCC2)c1cccc(C#N)c1 611449483 KRJYUHHBVVLPAO-GFCCVEGCSA-N 297.427 3.744 30 20 CHED C[C@@H]1CC(Nc2nc(C(C)(C)C)ccc2C#N)C[C@@H](C)O1 613430617 DLQVUPCQDMILBV-VXGBXAGGSA-N 287.407 3.619 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 617778432 GGSSOIOJIBPQFI-CQSZACIVSA-N 295.386 3.505 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3cccc(OC)c3o2)C1 617787678 UYGLUDMVWXNAGE-CYBMUJFWSA-N 299.370 3.870 30 20 CHED COc1c(Cl)cccc1NC[C@H](C)CCC#N 618888325 PSJWCCXCGDYAAX-SNVBAGLBSA-N 252.745 3.700 30 20 CHED CC(C)CCN(C)C(=O)c1ccc(C(C)(C)C#N)cc1 619427538 XRZYYWPVJYCYBP-UHFFFAOYSA-N 272.392 3.606 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cncs1 619754824 LLLCJJYESREUCA-SECBINFHSA-N 277.780 3.519 30 20 CHED C=CCN(C(=O)c1cc2cccc(F)c2o1)C(C)(C)C 622944064 CHOVYOSYZMDXMD-UHFFFAOYSA-N 275.323 3.999 30 20 CHED C=CCOc1c(Cl)cc(CNCC(=C)C)cc1OC 623516491 ULLXMLVRNJXQJW-UHFFFAOYSA-N 281.783 3.579 30 20 CHED C=CCOc1c(Cl)cc(CN(C)CC2CC2)cc1OC 628149356 WAFJVOXILLQYEC-UHFFFAOYSA-N 295.810 3.755 30 20 CHED C=CCC[C@H](N[C@@H]1CC[C@H]2CNC[C@@H]2C1)c1ccccc1 643549231 VDTNFPNUCCIYFX-OKYOBFRVSA-N 284.447 3.672 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@@H]1CF)c1ccccc1 647445860 AZHLNWZGXLCCMO-CVEARBPZSA-N 275.367 3.697 30 20 CHED C=CCCC(C)(C)NCc1cnc([C@@H]2CCCO2)s1 657805966 ZIBKWQKEUZKDQE-ZDUSSCGKSA-N 280.437 3.829 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(F)c1SC 667411086 XQKKROYNCRJVEC-VIFPVBQESA-N 268.357 3.634 30 20 CHED C=CCC[C@@H](CCC)NC1CCC(O)(CC)CC1 678548427 NUSVLZRXHCBUFA-QQFBHYJXSA-N 253.430 3.795 30 20 CHED C=CCC[C@H](CCC)NCc1nn(C)c2ccccc12 680635717 DLVZFTURKOETSQ-AWEZNQCLSA-N 271.408 3.798 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C)CCC 681591295 KCIHAPTWRQQTDI-GFCCVEGCSA-N 263.406 3.883 30 20 CHED Cc1nc(C)c(COc2cc(C)c(C#N)c(C)c2C)o1 723635346 WKOUZNVJTNKNKC-UHFFFAOYSA-N 270.332 3.667 30 20 CHED CCCCOc1ccc(C=NNC2CCCC2)cc1OC 727651981 FJUKUWQYKAXJTG-UHFFFAOYSA-N 290.407 3.740 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)C2CCCCC2)cn1 728811298 UCEBDNPJTRNOGK-UHFFFAOYSA-N 284.403 3.638 30 20 CHED C#Cc1ccc(C(=O)N(C)CCCCCCCCC)cn1 728817882 IIHNNKVAVWYLIB-UHFFFAOYSA-N 286.419 3.886 30 20 CHED N#CCCCCNC(=O)N1CCC(C2CCCCC2)CC1 728958233 YDGHKQMPFHDDRW-UHFFFAOYSA-N 291.439 3.682 30 20 CHED CN(CCC1CCCCC1)Cc1ccc(OCC#N)cc1 731213047 ZULVYBKLPKUIFL-UHFFFAOYSA-N 286.419 3.991 30 20 CHED C#CCOc1cccc(Oc2nc3cc(C)ccc3o2)c1 734142085 MHTYVFCLHLKDMT-UHFFFAOYSA-N 279.295 3.941 30 20 CHED C=CCCCOC(=O)c1cc(C)n(CC(F)(F)F)c1C 735527552 IVYHJOMZMFFXLE-UHFFFAOYSA-N 289.297 3.790 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)c2cccc(CC#N)c2)[C@H](C)C1 736032878 INEWTIXCTBTPAM-XJKCOSOUSA-N 271.360 3.734 30 20 CHED Cc1cc(C(=O)/C=C\c2ccoc2C(=O)O)cc(C)c1F 738320542 UJOHSPJILFBWAY-ARJAWSKDSA-N 288.274 3.630 30 20 CHED FC(F)(F)c1cccc(NN=C/C=C\c2ccco2)n1 739421731 OURAZWJDVQZLPN-DFTXPOBQSA-N 281.237 3.805 30 20 CHED C[C@H](NN=Cc1nccc2ccccc12)c1ccccc1 740762018 VWAFVEXYHKMADN-AWEZNQCLSA-N 275.355 3.920 30 20 CHED Cc1cccc([C@@H](C)C/N=C\c2cc([N+](=O)[O-])ccc2O)c1 741165343 LBFMDBCNNBJCKI-FHNWIRHTSA-N 298.342 3.831 30 20 CHED C=C(Cl)CNC(=O)/C=C(/CC)c1ccc(C)cc1 741694378 CYMXEZLYXCIFJR-LCYFTJDESA-N 263.768 3.657 30 20 CHED C=CCOCCCC(=O)N1CCC(C2CCCCC2)CC1 742550057 NQWZPVNDTMLILS-UHFFFAOYSA-N 293.451 3.788 30 20 CHED C=C(C)CNC(=S)Nc1cccc(CC(F)(F)F)c1 743018542 DPTHFHFSIBKFOU-UHFFFAOYSA-N 288.338 3.654 30 20 CHED Fc1ccc2[nH]cc(C=NNc3ccc(Cl)nc3)c2c1 743451347 DNKHPTCBSXFBPR-UHFFFAOYSA-N 288.713 3.801 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 746047906 SSHXEWXMTVIIFP-SUMWQHHRSA-N 297.358 3.958 30 20 CHED Cc1ccc(C#N)cc1NC(=S)N[C@@H](C)c1ccccc1 746344557 UCVHEEDHXNXHAU-ZDUSSCGKSA-N 295.411 3.914 30 20 CHED O=C1/C(=C/c2cccnc2Cl)Cc2c(F)ccc(F)c21 749581559 DKUATICFBFXIKX-RMKNXTFCSA-N 291.684 3.836 30 20 CHED O=C1/C(=C\c2cccs2)Cc2c(F)cc(F)cc21 751535422 KHDIDPJMBIKKCY-YWEYNIOJSA-N 262.280 3.849 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 754661715 RIMJKZUQYXRPPC-IAGOWNOFSA-N 283.415 3.879 30 20 CHED Fc1cc(F)cc(C=NNCc2ccc(Cl)cc2)c1 755773835 BINDQSWMFVZFPH-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C=CCC[C@H](C)N[C@@H](CC)[C@H](O)c1c(F)cccc1F 756731526 GNLFZFRBBGOIFU-PJODQICGSA-N 283.362 3.721 30 20 CHED COCCC(=NNc1cc(F)c(F)c(F)c1)C(C)C 756829561 RWABQFRBBXOCHE-UHFFFAOYSA-N 274.286 3.564 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCCCC2(C)C)c1 757540776 IKXPWMJSCFPJFF-OAHLLOKOSA-N 286.444 3.923 30 20 CHED Clc1csc(C=NNc2ccc3ccccc3n2)n1 758095194 UXIQLBDKCMVJGD-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=CCC(CC=C)C(=O)N1CCCc2cc(OC)ccc21 758394189 ZELXNQFMXUDLQF-UHFFFAOYSA-N 285.387 3.743 30 20 CHED Cc1ccc([C@@H]2CCCC2=NOCC(F)F)cc1 758900126 PQBBWSPVSNTZNW-LBPRGKRZSA-N 253.292 3.900 30 20 CHED CC1(C)Cc2cc(N=Cc3cccc(O)c3O)ccc2O1 759116351 OSFKCVJKCQKUBR-UHFFFAOYSA-N 283.327 3.562 30 20 CHED Cc1cc(Br)ccc1C=NNc1ccccn1 759186043 WJGLKTDHTGSJCD-UHFFFAOYSA-N 290.164 3.599 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(F)cc1F)C2=O 759653427 QJPAUGOFQKFFAO-YRNVUSSQSA-N 286.277 3.796 30 20 CHED C#Cc1cccc(N(C(=O)[C@H]2CC23CCC3)C(C)C)c1 759791084 PXPXFBFOZMQXFV-MRXNPFEDSA-N 267.372 3.600 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1cccnn1)CCC2 760248603 HICIQQDUULBNBY-UHFFFAOYSA-N 280.375 3.753 30 20 CHED CCCCNN=Cc1c(Cl)oc2ccccc12 761260803 HLNPUMGCGHHJDA-UHFFFAOYSA-N 250.729 3.810 30 20 CHED Cn1cc(NN=C2CCC[C@@H](C(C)(C)C)CC2)cn1 761860718 NZXQHJVTFDRKPD-GFCCVEGCSA-N 262.401 3.814 30 20 CHED N#Cc1ccc(CN(C/C(Cl)=C\Cl)C2CC2)cc1 763506456 FGNNNRRGBQAZAC-NTUHNPAUSA-N 281.186 3.842 30 20 CHED CCC[C@@H](C(=O)OCc1ccc(C#N)cc1F)C(C)C 763844808 GGYAIOCUIACEHN-CQSZACIVSA-N 277.339 3.813 30 20 CHED C=CC[C@H](NC(=O)[C@H](CCC)C(C)C)c1ccncc1 764022553 QGHNFBCXRFRYLD-CVEARBPZSA-N 274.408 3.887 30 20 CHED COc1cc2ccccc2cc1C(=O)OCC(C)(C)CC#N 764829442 GCNUAYBMBXXIFY-UHFFFAOYSA-N 297.354 3.945 30 20 CHED CCSc1cc(C(=O)Oc2ccc(C#N)c(C)c2)ccn1 765112756 HXWCAULPGHLKBQ-UHFFFAOYSA-N 298.367 3.593 30 20 CHED C#CC[C@@H](NC(=O)Nc1cc(C)cc(C)n1)c1ccccc1 765297520 ATVXYHQHRVIINP-MRXNPFEDSA-N 293.370 3.585 30 20 CHED C=C(C)CNC(=S)Nc1ccc(F)cc1OC(C)(C)C 765518534 CTHWIULKDCZJFE-UHFFFAOYSA-N 296.411 3.866 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl 767079249 OMJPBJBVBBSKOT-MFKMUULPSA-N 293.769 3.501 30 20 CHED C#CCC(C)(C)C(=O)OCc1cccc(C(F)(F)F)c1 767644697 PXOQGZPVADSRKB-UHFFFAOYSA-N 284.277 3.798 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)OCc1ccc(CC#N)cc1 769177554 RJIOAWVSIOSYEX-BBRMVZONSA-N 271.360 3.622 30 20 CHED c1ccc([C@H]2CCC2=NNc2ccc3[nH]ncc3c2)cc1 769798975 PDLADHJLSVROFO-OAHLLOKOSA-N 276.343 3.908 30 20 CHED C=CCC[C@@H](CCC)NCc1cc(C#N)ccc1F 773030071 JWFKSVGAAYSVIU-OAHLLOKOSA-N 260.356 3.922 30 20 CHED Cc1ccc(/C=C/C(=O)c2sccc2O)cc1F 773147964 FJUHNEBFMIWARB-SNAWJCMRSA-N 262.305 3.797 30 20 CHED O=C1/C(=C\c2ccc(F)cc2)CCc2ccc([N+](=O)[O-])cc21 773147982 CPZIXSPIFYCZPA-LCYFTJDESA-N 297.285 3.946 30 20 CHED C#CC[C@H](NCc1cnc(Cl)s1)c1ccccc1 775403374 HJCJQIHWJODUKK-ZDUSSCGKSA-N 276.792 3.651 30 20 CHED C=CCN(C(=O)CCc1ccc2[nH]ccc2c1)C(C)C 775713402 MJVZMSAQBRQBIL-UHFFFAOYSA-N 270.376 3.524 30 20 CHED C[C@H](NCCCOc1ccccc1F)c1ccc(C#N)cc1 776153959 LLPAKZJRNFEPTA-AWEZNQCLSA-N 298.361 3.817 30 20 CHED Oc1ccc(C=NOC2CCCCC2)cc1Br 777457322 QPUBTFCZRYEBSW-UHFFFAOYSA-N 298.180 3.838 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CC[C@H](SC)C1)c1ccccc1 777696601 YGPYYPIXOYPNHM-JYJNAYRXSA-N 289.444 3.747 30 20 CHED COc1cc(C)ccc1C(C)=NNc1cc(Cl)ccn1 777907623 XSILLBVXAVNYGB-UHFFFAOYSA-N 289.766 3.888 30 20 CHED CCCCCCCC(=O)O[C@H]([C@H]1CCOC1)C(F)(F)F 778024668 NWLGYEIJSAMYOG-WCQYABFASA-N 296.329 3.858 30 20 CHED C#CCCCCCC(=O)Nc1nc2ccccc2n1CCC 779720616 WLCNDFSLDHNYJC-UHFFFAOYSA-N 297.402 3.969 30 20 CHED C#CCCCCCC(=O)N1CCCC[C@H](SCC)C1 779912153 XRPKDUBRTWIDKC-HNNXBMFYSA-N 281.465 3.704 30 20 CHED C=C[C@H](C)OC(=O)c1ccc(NC(=O)c2ccccc2)cc1 781582993 ARERRYAAXHNTKC-ZDUSSCGKSA-N 295.338 3.670 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1ccc(Cl)cn1 781710792 LIVWPDUETIXGMX-LLVKDONJSA-N 265.740 3.533 30 20 CHED Cn1c(NN=Cc2cc(Cl)cs2)nc2ccccc21 782201785 AFRWCRGIJDHEKJ-UHFFFAOYSA-N 290.779 3.734 30 20 CHED O=C1/C(=C/c2scnc2C2CC2)Oc2cc(F)ccc21 782353649 DYTZYQSBBILLJB-SDQBBNPISA-N 287.315 3.776 30 20 CHED C=CCCOC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1 782376440 KUHXXYKMNLKSFK-JTQLQIEISA-N 288.265 3.592 30 20 CHED C=CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C 782455284 RNPXSKYITOSZIG-UHFFFAOYSA-N 268.744 3.645 30 20 CHED C=CCCCCCONC(=N)Cc1cccs1 783022971 DWXDDQRAAPGTNH-UHFFFAOYSA-N 252.383 3.535 30 20 CHED Cc1cccc([C@H](C)OC(=O)CNc2ccc(C#N)cc2)c1 783092453 GEQNNMQRTIVFBQ-AWEZNQCLSA-N 294.354 3.583 30 20 CHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1O 783516273 GJYFKLDQFAWNRL-OLZOCXBDSA-N 266.344 3.676 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNCc1ccc(F)c(F)c1 783827952 RBHPUQDACZKSIO-DGCLKSJQSA-N 266.335 3.867 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)s1 785854157 NBJFCNIJDMWIRT-DVBBHNHCSA-N 281.808 3.982 30 20 CHED N#CCC1(OC(=O)c2cnc(-c3ccccc3)s2)CCC1 788144310 DNIMTPBJHKWWEG-UHFFFAOYSA-N 298.367 3.803 30 20 CHED Cc1cc(C=NNc2cccc(F)c2)cc(Cl)n1 788714410 IGPCLUXRPGAFJK-UHFFFAOYSA-N 263.703 3.629 30 20 CHED FCCCCCON=Cc1ccccc1Br 789563704 ALOYEBBQXJMFCD-UHFFFAOYSA-N 288.160 3.939 30 20 CHED Cc1cccnc1NN=C1CCCc2ccccc21 790194337 YYWYVYGNLYZNPJ-UHFFFAOYSA-N 251.333 3.543 30 20 CHED N#CCc1ccc(NC(=S)Nc2ccsc2)cc1 790303136 XOWSCJWPNKNDJT-UHFFFAOYSA-N 273.386 3.623 30 20 CHED C#CCCNc1cnn(-c2ccc(Cl)cc2)c1CC 790323708 CAWWXUQVPZOABJ-UHFFFAOYSA-N 273.767 3.523 30 20 CHED CC[C@H](C)CON=C1Cc2ccc(Cl)cc2C1 793159247 LYABXUPPKNZMPY-JTQLQIEISA-N 251.757 3.857 30 20 CHED C=CCCCCC[C@@H](C)NC1CCN(C(=O)C2CC2)CC1 793524212 KRQDKUAGGCDPID-OAHLLOKOSA-N 292.467 3.502 30 20 CHED C=CCCCCC[C@H](C)Nc1ccc(CNC(N)=O)cc1 793586615 JRDLEICNTLRRDM-AWEZNQCLSA-N 289.423 3.792 30 20 CHED C#CCC1(C(=O)N(CC)CC2CCC2)CCCCC1 794287621 RITAIILSLFSTSA-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CC(=NNc1cncnc1)[C@H](C)c1nc2ccccc2s1 794971852 JXYMRNBWQYUBEG-JTQLQIEISA-N 297.387 3.678 30 20 CHED COCCCON=C(C)C1(c2ccccc2)CCCC1 795050721 HAEPLAMMPIGRIN-UHFFFAOYSA-N 275.392 3.927 30 20 CHED CC#CCCOC(=O)c1c(-c2ccccc2C)noc1C 796213832 IQZWCGITGFZGKU-UHFFFAOYSA-N 283.327 3.529 30 20 CHED C#CCCN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 796290228 OQXVWAUATKKDQT-AWEZNQCLSA-N 283.293 3.649 30 20 CHED CSc1ccc([C@H](C)OC(=O)c2ccc(C#N)o2)cc1 797234691 OIYUQBBPGMOHNM-JTQLQIEISA-N 287.340 3.791 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(C)C 798514642 UDLXJGDMBLWXRB-DZGCQCFKSA-N 298.386 3.759 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCCCC1(C#N)CCOCC1 800160819 ZJEPEMPKZJQCCS-OAHLLOKOSA-N 295.423 3.702 30 20 CHED C#CCOc1ccccc1CN[C@@H](C)c1cc(C)c(C)o1 800481751 ZPZZNSFTPFPLKJ-AWEZNQCLSA-N 283.371 3.759 30 20 CHED CCCCCCCCC(=O)Nc1nc([C@@H](C)OC)ns1 800991192 ZVMLCIGRAKHUDE-LLVKDONJSA-N 299.440 3.935 30 20 CHED C#Cc1ccc(C(=O)O[C@H]2CCc3cc(Cl)ccc32)nc1 803339242 ZIQNZMKHZHYAGJ-INIZCTEOSA-N 297.741 3.561 30 20 CHED Cc1cc(N2CCC(CC(C)C)CC2)cc(C#N)n1 804553477 UBQVLTIPIMNIIM-UHFFFAOYSA-N 257.381 3.524 30 20 CHED C=CCCCCCCNC(=O)c1ccc(OC)c(OC)c1 805220846 HIKWSSZQMZPDRK-UHFFFAOYSA-N 291.391 3.570 30 20 CHED CCCCCCCCCN1CC[C@@H](C(=O)N2CCCC2)C1 805812838 FEJUIWFMKDAURL-QGZVFWFLSA-N 294.483 3.681 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CC[C@H](c3ccccc3)CC2)[nH]1 806080881 KBUZAKHFPRMXAF-KOMQPUFPSA-N 294.354 3.770 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc(SCC)c1 806270053 OOKMQVWGPZHBDE-GFCCVEGCSA-N 276.405 3.722 30 20 CHED O=C1/C(=C\c2c[nH]c(C(F)(F)F)c2)Cc2c(O)cccc21 806566882 CASGCCWOKBHYEL-WTKPLQERSA-N 293.244 3.562 30 20 CHED CCOc1ccc(NC(=S)NN=C2CC[C@@H]2CC)cc1 807947279 NXIZHRWMLCBAPV-NSHDSACASA-N 291.420 3.548 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1ccccc1C#N)C2=O 809157808 VSXFTDCZJWAJOV-JYRVWZFOSA-N 293.297 3.528 30 20 CHED C=CCCC(=O)OCCc1ccccc1Br 811016523 RGFWMQUESGJNEM-UHFFFAOYSA-N 283.165 3.501 30 20 CHED COc1ccc([C@H](C)C(C)=NOC/C=C/Cl)cc1 811668334 NAAMGZRWDQYMFB-QNTIUFKBSA-N 267.756 3.944 30 20 CHED CCCC(=NOCCOC(C)C)c1cccc([N+](=O)[O-])c1 812238294 WSRYCORTDPSRIH-UHFFFAOYSA-N 294.351 3.541 30 20 CHED CC(=NNc1ccccc1Br)c1ccncc1 812461372 RKNUXLCSFNKHJP-UHFFFAOYSA-N 290.164 3.680 30 20 CHED C#Cc1ccc(CNc2ncc(Cl)cc2C)cc1 812784406 MIJVOGFKKWYFDN-UHFFFAOYSA-N 256.736 3.637 30 20 CHED COCc1ccccc1/C=C(\C)C=NOCC1CC1 814244033 XWHBCSNMZNUZNU-OIVHWOPJSA-N 259.349 3.649 30 20 CHED Cc1sc2ncnc(NN=C3CC[C@H](C)C3)c2c1C 814725953 HADJJRWFUOAHLV-QMMMGPOBSA-N 274.393 3.896 30 20 CHED CCC(=NNCc1cccc(Cl)c1)c1cccc(N)c1 814867766 NVKMDHTWBHLFTE-UHFFFAOYSA-N 287.794 3.826 30 20 CHED OCCC[C@H]1CCCCC1=NNCc1cccc(Cl)c1 814868004 SOKVCSPWBQMLCF-CQSZACIVSA-N 294.826 3.748 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CC[C@@H]2C2CCC2)c1 814891162 BTLDLRUKXFZNGQ-LLVKDONJSA-N 274.755 3.585 30 20 CHED Cc1nc(Oc2cccc(Cl)c2[N+](=O)[O-])ccc1C#N 814903217 YFQKXDXKCSOTJB-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CC1(C)CC(=NOC2CCC2)c2sccc2O1 814936277 IDXQDFLXISQQGV-UHFFFAOYSA-N 251.351 3.582 30 20 CHED C#CCCCCC(=O)N(OC)[C@@H](C)c1ccccc1C 820034150 RLDRUIRDMSTOCW-HNNXBMFYSA-N 273.376 3.640 30 20 CHED C=CC[C@H](C)N[C@@H](C(=O)O)c1cccc(Cl)c1Cl 833371455 SDCMCWPOYWGWTK-QPUJVOFHSA-N 288.174 3.673 30 20 CHED CC(C)(C)CC(C)(C)NCc1cccc(C(=O)O)c1C#N 833423336 UXTZGSRMHYVTSW-UHFFFAOYSA-N 288.391 3.561 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1 834873963 FHEOJLQXFIRZHD-VURMDHGXSA-N 264.324 3.826 30 20 CHED CO[C@H]1CC(=NNc2nccc3sccc23)C12CCC2 834940657 BUNFTGWSSDVMAL-ZDUSSCGKSA-N 287.388 3.653 30 20 CHED FC(F)(F)c1ccnc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)c1 834983853 INYIVZUCQKLQJT-GARJFASQSA-N 281.281 3.710 30 20 CHED COc1cc(C(C)=NOC(C)C)ccc1SC 835003919 CGIYQBSSICYZOX-UHFFFAOYSA-N 253.367 3.566 30 20 CHED C=CCC[C@H](C)OC(=O)c1cccc(C(F)(F)F)n1 835266835 DFMSODQOLQPCHH-VIFPVBQESA-N 273.254 3.612 30 20 CHED C=CC(C)(C)C(=O)O[C@H](C)c1nc(C2CC2)cs1 835286153 JSQXNESTFPNBNW-SECBINFHSA-N 265.378 3.837 30 20 CHED C=CCC1(C(=O)OCCc2ccc(C)cn2)CCCC1 835905319 QKQLVSVSPHXKOQ-UHFFFAOYSA-N 273.376 3.612 30 20 CHED C#CCC1(C(=O)Nc2cccc(CC#N)c2)CCCCC1 837073285 RAUASYYZYALJDY-UHFFFAOYSA-N 280.371 3.665 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H](OC(C)(C)C)c1ccccc1 839037161 NOWYHPMRPUVIJR-GOEBONIOSA-N 288.387 3.888 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3ccccc3o2)C1 839041065 CNRLOOMNNBSDOZ-DGCLKSJQSA-N 269.300 3.672 30 20 CHED C=CCCCN1CCC(Oc2ccc(Cl)cn2)CC1 839203295 YIVJWIFAOPQOIG-UHFFFAOYSA-N 280.799 3.544 30 20 CHED Cc1ccc(C(=O)OCCC2(C#N)CCCCC2)o1 839998653 STCBHEHKDCGKHA-UHFFFAOYSA-N 261.321 3.609 30 20 CHED CCCCO[C@H](C)C(=O)OCCC1(C#N)CCCCC1 840224285 FKUMFTONVFTRAC-CQSZACIVSA-N 281.396 3.599 30 20 CHED Cc1ccc(C(=O)OCCCC#N)c2ccccc12 840624265 GDUYEWKPOKQJJZ-UHFFFAOYSA-N 253.301 3.609 30 20 CHED C#CCCc1noc(C2(c3ccccc3Cl)CCC2)n1 844850904 YKTVLBZQZMXUID-UHFFFAOYSA-N 286.762 3.759 30 20 CHED C#CCCCCNC(=O)Nc1ccc(Cl)c(C)c1 847252546 WCLRPYCQIGORCR-UHFFFAOYSA-N 264.756 3.573 30 20 CHED N#Cc1ccc(CCN[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 850345466 BDGIMNKEQGQTEH-GJZGRUSLSA-N 296.336 3.811 30 20 CHED N#Cc1ccc(Cl)cc1OCCC1SCCS1 853018543 KHSKBVVEBKHWBO-UHFFFAOYSA-N 285.821 3.787 30 20 CHED CC[C@@H](C)CON=CC1CCN(Cc2ccccc2)CC1 853349606 CIJPIYYPPVTOSC-MRXNPFEDSA-N 288.435 3.947 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1ccc(OCC)cc1 853782446 BFWKXXXBLQLONH-NSHDSACASA-N 299.823 3.898 30 20 CHED CCN(C(=O)/C=C(/C)c1cccc(Cl)c1)[C@@H](C)C#N 856076184 WPYNELGQKXJIIL-KGTBHZDVSA-N 276.767 3.504 30 20 CHED C[C@H](OC(=O)C[C@@H](C)c1ccco1)c1ccc(C#N)cc1 859812230 LBGKFLQYUCGZEM-OLZOCXBDSA-N 283.327 3.949 30 20 CHED C[C@@H](CC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccco1 860683478 AJBRZUZHKARISS-QWHCGFSZSA-N 298.342 3.703 30 20 CHED N#C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C1CC1 865343187 FUYMQMBSEPWBPC-LLVKDONJSA-N 291.357 3.599 30 20 CHED C[C@H](C#N)N(C(=O)CCc1cccc2ccccc12)C1CC1 869253833 OIMHPVPPTAAWCA-CQSZACIVSA-N 292.382 3.675 30 20 CHED C=CCC1(NCc2ccc3oc(=O)oc3c2)CCCCC1 883136246 XYUXOGZKTAWTEM-UHFFFAOYSA-N 287.359 3.755 30 20 CHED C(/C=C\c1ccccc1)=NNc1nc2ccccc2[nH]1 886000457 KPJPSAJGKAYSMB-FUMQGXJOSA-N 262.316 3.674 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cncc(Br)c1C 888899621 UNKCWKRNSPVTIF-ZDUSSCGKSA-N 297.196 3.693 30 20 CHED C=C1CCC(C(=O)NC(C)(C)c2ncc(C)s2)CC1 889408421 RUSZBYBCPHJURZ-UHFFFAOYSA-N 278.421 3.549 30 20 CHED N#CCN(C(=O)c1cccc(C2CCC2)c1)c1ccccn1 892476760 JAEUSYUEUMOQCJ-UHFFFAOYSA-N 291.354 3.519 30 20 CHED C=C1CC(c2noc(/C=C\c3ccc(OC)cc3)n2)C1 896875810 PCODPNZUXCCCEK-YVMONPNESA-N 268.316 3.682 30 20 CHED Cc1ccc(C(=O)/C=C/c2nc(C)c(C)[nH]2)cc1C 901417334 NHQRDBKAIOJTRO-BQYQJAHWSA-N 254.333 3.539 30 20 CHED CC[C@H](NCCc1csc(C)n1)c1cccc(C#N)c1 902737028 NUWFAXCSUVECNQ-INIZCTEOSA-N 285.416 3.607 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1cccc(C(C)=O)c1 904044251 LUVMAEGYCBDZAZ-ZDUSSCGKSA-N 260.333 3.535 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)c1ccc(C#N)c(Cl)c1 906088496 DVCIRQFCMAAANA-NSHDSACASA-N 276.767 3.777 30 20 CHED Cc1ccc(C)n1-c1ccc(C(=O)OCCCCC#N)cc1 914622784 SVNJXKYPINIRIW-UHFFFAOYSA-N 296.370 3.945 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2)Cc2ccccc21 916152744 XRFPNRBOAKEXBR-CQSZACIVSA-N 262.356 3.678 30 20 CHED CCCCCCC[C@H](C)CNc1ncnc2c1cnn2C 917523852 YCLONLFUTJZPIO-ZDUSSCGKSA-N 289.427 3.772 30 20 CHED Oc1cccc(/C=N\[C@H]2CCc3c(Cl)cccc32)c1O 920178163 OPMCFWYWZGGHPB-WXARJGPPSA-N 287.746 3.858 30 20 CHED CCOC(=O)C[C@@H](/N=C/c1ccccc1O)c1ccccc1 920833296 FZLIFMVLEHLDEW-CXDFQFJYSA-N 297.354 3.506 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CSc2ccccc21 925092097 HNDIVQZPVWYHFN-DGCLKSJQSA-N 260.406 3.751 30 20 CHED N#C[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 928226675 PNXYUEAUAZWNHG-INIZCTEOSA-N 292.382 3.535 30 20 CHED CCC(C)(C)N1CCN(CCCCC2(C#N)CCC2)CC1 930884693 HZBAATHNORSUSO-UHFFFAOYSA-N 291.483 3.657 30 20 CHED C=C[C@H](CC)CC(=O)N(C)CCCc1nc2ccccc2[nH]1 930898194 TYQJAELTYVJQQE-CQSZACIVSA-N 299.418 3.556 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)c1cccc(O)c1 934708539 JYVPVFFPAVXVMX-STQMWFEESA-N 261.365 3.514 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccsc1C(F)F 935798295 DTGQVVDBFWTLGY-MRVPVSSYSA-N 259.321 3.770 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)C[C@H]2CCc3ccccc3C2)C1 1129609253 QUHCJBOVXCQRSK-DAYGRLMNSA-N 297.398 3.807 30 20 CHED Cc1cc(NCC2(C)CC2)n2c(nc3ccccc32)c1C#N 1162686625 XBBAXRRXIUNSMT-UHFFFAOYSA-N 290.370 3.880 30 20 CHED Cc1cc(NCc2cc(C3CC3)ccc2F)ncc1C#N 1163383153 CGBRSFKKJAXPPZ-UHFFFAOYSA-N 281.334 3.890 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cc2ccccc2nn1 1263645241 JIKCAXQVIVNUOH-AWEZNQCLSA-N 296.374 3.592 30 20 CHED C=C(Cl)Cn1c(N(C)CCCC)nnc1C(C)(C)C 1301055244 JDYXLYDTCMYAQG-UHFFFAOYSA-N 284.835 3.564 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)n1 1307107137 WWABKGZBPZZRFS-UONOGXRCSA-N 298.777 3.532 30 20 CHED C=C(C)CCc1noc(-c2cccc(-n3ccc(C)n3)c2)n1 1321833340 LBWWWJCUJCMBHQ-UHFFFAOYSA-N 294.358 3.739 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1ccccc1 1322975511 MJLDAJXMGAWIEO-UHFFFAOYSA-N 268.364 3.610 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)N(C)CC(C)(C)C#N 1324894409 OHAQLPNQXQIYAI-UHFFFAOYSA-N 293.798 3.970 30 20 CHED C=CCCCCOC(=O)C(C)(C)Oc1ccccc1 1324954683 TUPSXICZQNXCBG-UHFFFAOYSA-N 262.349 3.744 30 20 CHED C[C@H]1CC[C@@H](C)C[C@@H]1NCc1cccc(OCC#N)c1 1325117307 JRYOTIONACTLQS-KEYYUXOJSA-N 272.392 3.503 30 20 CHED CCCCCCCOC(=O)c1cnc(C(C)C)[nH]1 1335745195 BMYGPZQKPHDWQL-UHFFFAOYSA-N 252.358 3.660 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)c2ccccc21 1336215116 BEQVJVYBGIJUDP-WMLDXEAASA-N 297.398 3.704 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc(F)c(F)cc1F 1336760451 RZRBLIROKXSLTK-SNVBAGLBSA-N 283.293 3.675 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)CCC(=C)C 1337267839 MFGQXJDURVJLCR-MRXNPFEDSA-N 257.377 3.646 30 20 CHED CCOCCC1(CNc2cc(C#N)cc(Cl)n2)CCC1 1339629185 PBNMBOXSJWZZGB-UHFFFAOYSA-N 293.798 3.615 30 20 CHED Cn1ccnc1NN=Cc1ccc(-c2ccccc2)s1 1343846961 LDBCVNRGVRVYNU-UHFFFAOYSA-N 282.372 3.595 30 20 CHED C=CCC1(NC(=O)[C@H]2CCOC3(CCC3)C2)CCCCC1 1354030719 IABSORHOKYGNNG-HNNXBMFYSA-N 291.435 3.731 30 20 CHED CCc1ccc([C@H]2CCN(c3cc(C)c(C#N)cn3)C2)cc1 1458407343 MFNIDWZXMXMCGV-KRWDZBQOSA-N 291.398 3.818 30 20 CHED CCCN(CCC(C)(C)C#N)[C@@H]1C[C@@H](OCC)C1(C)C 1459541042 YSLUSXQFIZKNLQ-HUUCEWRRSA-N 280.456 3.842 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)n1 1460429058 RMDGKSKVOCRWKQ-SHTZXODSSA-N 285.391 3.663 30 20 CHED C[C@H]1CCCC[C@@H]1NC1CCN(c2ccccc2C#N)CC1 1462483723 JNUJJABVSUMOMR-YJBOKZPZSA-N 297.446 3.695 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(C#N)cc1)C1CCCC1 1464912963 PTSNYGULBPBPLG-OAHLLOKOSA-N 271.364 3.649 30 20 CHED CC(C)Oc1ncc(Cl)cc1NC[C@@H](C)CCC#N 1474521475 MJFZVLUGLBYJGP-NSHDSACASA-N 281.787 3.874 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@H]2CCC[C@H]2c2ccccc2)C1 1516820039 LWDLIOWOTMQNNS-IWCQGFGOSA-N 283.371 3.806 30 20 CHED C[C@@H](NCc1cccc(C#N)n1)c1ccc(F)cc1Cl 1560852663 SCVLYSBMSJWJMG-SNVBAGLBSA-N 289.741 3.597 30 20 CHED CCCCCCCCCNC1(C(=O)O)CCCC1 1573841242 RIPLRNYMTMINLE-UHFFFAOYSA-N 255.402 3.724 30 20 CHED CC(C)(C#N)CCSCc1ccc(C(=O)O)c(F)c1 1589554652 JMFOJSBOJPHRRN-UHFFFAOYSA-N 281.352 3.697 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cc(C(=O)O)co2)cc1C 1600147123 MVZNSZAIAQJTEK-PLNGDYQASA-N 284.311 3.799 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(C(=O)O)cs2)cc1 1610498045 ALQDCYVMRQNSTA-SREVYHEPSA-N 272.325 3.651 30 20 CHED C[C@H]1CN(C(=O)c2ccccc2CC#N)c2ccccc21 1630429712 OAICZUFXYWSFBS-ZDUSSCGKSA-N 276.339 3.517 30 20 CHED N#Cc1ccc(CSc2nnc(-c3ccccc3)o2)s1 1656016218 ORFORFYTRYAUHR-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C[C@H]1C[C@H]1CNC(=O)Nc1scc(C(C)(C)C)c1C#N 1677855019 FUELTKFHSRVDTL-UWVGGRQHSA-N 291.420 3.695 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1)c1ccsc1 1776037138 AZTPIWBABWVECY-UHFFFAOYSA-N 274.345 3.673 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ccc(C(=O)O)c(F)c1 1776074570 IGYUDXIQUUBLBF-RISCZKNCSA-N 290.338 3.914 30 20 CHED CC(=NOC1CCC1)c1sc2ccccc2c1C(=O)O 1776079571 NGQSVSFWMMDDPH-UHFFFAOYSA-N 289.356 3.893 30 20 CHED C[C@H]1C(=NNc2ccc(Cl)cc2F)CC[C@H]1CC(=O)O 1776106707 RFQCFPZWSXJGDY-BDAKNGLRSA-N 298.745 3.768 30 20 CHED CC1(C)CCC/C(=C\c2cccc(C(=O)O)c2F)C1=O 1776548647 VAZLMTRZZIIMSB-PKNBQFBNSA-N 276.307 3.687 30 20 CHED C=CCNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 174948652 ITUZCYHSOBEOAM-UHFFFAOYSA-N 284.334 3.605 30 20 CHED N#Cc1cc(F)ccc1CN1CC[C@@H](c2ccccc2)C1 103141834 COKLNSQVLBVIQX-MRXNPFEDSA-N 280.346 3.687 30 20 CHED CC(C)COc1ccc(C(C)(C)NCCCC#N)cc1 107899979 RUIPAMZWTXMEEE-UHFFFAOYSA-N 274.408 3.850 30 20 CHED CCCN(CCC)Cc1ccc(Br)cc1C#N 310387089 QQBYNLRUVSWYIY-UHFFFAOYSA-N 295.224 3.943 30 20 CHED C=CCOc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1 55722475 VSHOBKLERCTEGF-UHFFFAOYSA-N 296.370 3.570 30 20 CHED CCS[C@H]1CCC[C@@H](NCC(C)(C)CCC#N)C1 176983005 HRWNAGPJTIYJEK-KGLIPLIRSA-N 268.470 3.970 30 20 CHED N#Cc1ccccc1/C=C/C(=O)NCc1ccc(Cl)cc1 27693428 FXWALDPXFKSAOF-JXMROGBWSA-N 296.757 3.541 30 20 CHED C=CCCCSCC(=O)Nc1cccc(C)c1C 117944971 TWERKPOUWWQMDT-UHFFFAOYSA-N 263.406 3.941 30 20 CHED CCO[C@@H](CCNc1ccc(C#N)cc1F)C(C)C 301461478 ZCDLPIXIEYVZDO-HNNXBMFYSA-N 264.344 3.560 30 20 CHED Cc1nc(CN(C)c2cc(Cl)ccc2C#N)cs1 62790066 LZUZRUKVEKZHHK-UHFFFAOYSA-N 277.780 3.613 30 20 CHED C=CC1CCN(C(=O)c2ccc(O[C@H](C)CC)cc2)CC1 176440043 MUSYZXWEFDXSSH-CQSZACIVSA-N 287.403 3.902 30 20 CHED CSCCCCC(=O)OCC#Cc1ccc(Cl)cc1 177895114 FPKPZXQQGCHHOS-UHFFFAOYSA-N 296.819 3.768 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cnn(C(C)C)c1 179458663 WTMLCTNHDZDKAJ-UHFFFAOYSA-N 296.418 3.748 30 20 CHED N#C[C@@H](NC(=O)CCC1CC1)c1ccc(Cl)c(Cl)c1 115377784 QFLDRRWAZHVHPD-CYBMUJFWSA-N 297.185 3.864 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)c1ccccc1 352833076 WRHCYPHNKLULDN-LBPRGKRZSA-N 252.317 3.740 30 20 CHED N#Cc1ccc(N2CCc3c([nH]c4ccccc34)C2)c(F)c1 301831327 IIHFTOXTDALCJF-UHFFFAOYSA-N 291.329 3.741 30 20 CHED C=C(C)CN1CCN(Cc2cccc3ccccc23)CC1 302755013 KKWRNFLBFGZSQR-UHFFFAOYSA-N 280.415 3.534 30 20 CHED C#CCOc1ccc(CNCc2cc3ccccc3o2)cc1 172114053 YSGDCSWHRJRAHF-UHFFFAOYSA-N 291.350 3.735 30 20 CHED Cc1sc(NC(=O)/C=C/c2ccsc2)c(C#N)c1C 69834887 GLNBJIGYAUXYLY-ONEGZZNKSA-N 288.397 3.950 30 20 CHED C=CCCCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 175976783 VUNGPGTYSBKUFE-UHFFFAOYSA-N 290.794 3.836 30 20 CHED C=CCSCCNc1ccnc2c(OC)cccc12 302419527 IPLBQTQSGDIAAH-UHFFFAOYSA-N 274.389 3.575 30 20 CHED N#Cc1cccc(OCCSc2cccc(C#N)c2)c1 177107092 SHOZUKZZJBEONQ-UHFFFAOYSA-N 280.352 3.601 30 20 CHED C=C(C)COC(=O)CCc1ccc(-c2ccccc2)[nH]1 62536102 XKZKAIBTSCXGTK-UHFFFAOYSA-N 269.344 3.734 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H](C)CCSCC 173310651 WRTWUVUHTOLTDF-ZDUSSCGKSA-N 293.432 3.513 30 20 CHED C=C(Br)CNC(=O)C1(CC(C)C)CCCC1 122517223 MUPDWQWMSZUZQO-UHFFFAOYSA-N 288.229 3.618 30 20 CHED C=CCCCC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 179106332 QJOGHEFXNUGHJK-WBVHZDCISA-N 287.403 3.627 30 20 CHED CCCCCOc1ccc(CN2CCC(C#N)CC2)cc1 123740606 XVPXWMHFYWGZQC-UHFFFAOYSA-N 286.419 3.991 30 20 CHED C=C(C)COC(=O)c1csc(-c2ccc(F)c(F)c2)n1 182012639 JNJWSJWCYRFZCP-UHFFFAOYSA-N 295.310 3.821 30 20 CHED CSCCCCC/N=C(\N)Nc1ccc(C)c(C)c1 187051690 BTQGYNGPRDIVNS-UHFFFAOYSA-N 279.453 3.563 30 20 CHED CCCCN(C(=O)c1c[nH]c(C#N)c1)[C@@H](C)c1ccccc1 181261710 YVMQBJYGGJSGAY-AWEZNQCLSA-N 295.386 3.890 30 20 CHED CC(C)c1ccc(CN(C(=O)NC[C@@H](C)C#N)C2CC2)cc1 182817404 ZOLYOLWCFNVSPA-AWEZNQCLSA-N 299.418 3.644 30 20 CHED CC[C@@H](CC#N)NCc1cc2cc(C)c(C)cc2o1 184081927 MSRMCTHASKGVEG-AWEZNQCLSA-N 256.349 3.832 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)N2CCC(C#N)CC2)CC1 187435043 CFAZHGSHLXBYES-HOTGVXAUSA-N 291.439 3.536 30 20 CHED COCC[C@@H]1CCC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 417355615 AYOLFOBQCVMJEB-SNRMKQJTSA-N 298.430 3.730 30 20 CHED Cc1ccccc1[C@H]1CCN(c2ccc(C#N)cc2)C1 507027974 QFYIFNWIOJERNF-INIZCTEOSA-N 262.356 3.861 30 20 CHED C=CCCCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl 76487013 REUCEFIFBPTXNM-UONOGXRCSA-N 277.795 3.868 30 20 CHED CCC[C@@H]1SCCN1C(=O)c1ccc(C#N)c(Cl)c1 127228483 FYOJPLSMTQNVCM-ZDUSSCGKSA-N 294.807 3.527 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 502573342 WPEFUNQPOGZBFA-VHSXEESVSA-N 264.756 3.832 30 20 CHED C=C(C)[C@H](NC(=O)NCC1CCC1)c1ccc(F)c(F)c1 187351516 MTPWXOQQINPORZ-HNNXBMFYSA-N 294.345 3.681 30 20 CHED C[C@@H](Nc1ccc(OC2COC2)cc1)c1ccc(C#N)cc1 187755512 MZWUCJRDHPCQNT-CYBMUJFWSA-N 294.354 3.509 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2cc(C)ccc2o1 410123118 FFLBYEYYIOPJEZ-ZDUSSCGKSA-N 257.333 3.826 30 20 CHED C[C@@H](c1ccccc1F)N(C)CCOc1ccc(C#N)cc1 315646924 WNMPRURESYGBKM-AWEZNQCLSA-N 298.361 3.769 30 20 CHED C=C[C@H](CC(=O)NCCCCOC(C)C)c1ccccc1 182355270 OTAYYCFFSFDYDB-MRXNPFEDSA-N 289.419 3.668 30 20 CHED CC#CCCCC(=O)N[C@H](CC)c1ccc(C)cc1 184972612 MDTJISIDRVYAAW-MRXNPFEDSA-N 257.377 3.756 30 20 CHED N#C[C@@H](C(=O)CCc1cc(Cl)cs1)c1ccccn1 77865798 XMFLCBCJYDHCRW-GFCCVEGCSA-N 290.775 3.606 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccccc1C#N 524757325 UXDOGTPRGCAAEU-CPUCHLNUSA-N 254.377 3.711 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)Sc1ccc(C)cc1 410831077 XTBDBABFIIKOCU-ZIAGYGMSSA-N 290.432 3.626 30 20 CHED CC(C)[C@@H](NCCCC#N)c1ccc(F)cc1F 181654872 APWFEQISEFIGRL-CQSZACIVSA-N 252.308 3.555 30 20 CHED C#CC[C@@H](OC(=O)/C=C/c1cccc(F)c1)c1ccccn1 73294358 ASAVKGRVSNSJNU-SXSDINLZSA-N 295.313 3.542 30 20 CHED CC1CCC(N(C(=O)c2cccc(C#N)c2)C2CC2)CC1 45415232 NGGZDNHANWQTAF-UHFFFAOYSA-N 282.387 3.742 30 20 CHED CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 412257245 PZWMYKZRXVNPCR-IXDOHACOSA-N 296.414 3.556 30 20 CHED Cc1ccc2c(c1)[C@@H](NCc1ccc(OCC#N)cc1)CC2 180550617 JBGCZJSVRCHIQR-IBGZPJMESA-N 292.382 3.675 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)COc2ccc(Cl)cc21 186424041 WLNUKQCNDCEJCG-YHYXMXQVSA-N 289.693 3.533 30 20 CHED CC1(C)CCC[C@H](/N=C(/O)c2snnc2C2CC2)C1 329585875 RIEABMHGEVXEDY-JTQLQIEISA-N 279.409 3.689 30 20 CHED CC(C)(C/C(O)=N/[C@@H]1CCC(O)=NC12CCC2)C1CC1 329209051 YWSUKASCALPIQM-GFCCVEGCSA-N 278.396 3.811 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1OCCC 192675999 YQHUYKFNCOWHPX-UHFFFAOYSA-N 274.364 3.681 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)N2CC=C(C(C)(C)C)CC2)o1 329289624 QFGUZRRJYMIUEV-GFCCVEGCSA-N 291.395 3.636 30 20 CHED C=CCC[C@@H](C)NCc1ccc(CN(CC)CC)cc1 130531284 WAKXMCGROFUNDI-MRXNPFEDSA-N 274.452 3.973 30 20 CHED CC1(C)CCC(/N=C(/O)c2conc2C2CC2)CC1 329224126 ZDQQCPXRTDUUDP-UHFFFAOYSA-N 262.353 3.825 30 20 CHED CCCCCCCC(=O)Nc1cc(C(=O)NC)ccc1C 193219940 GOOZODSSXIKDEC-UHFFFAOYSA-N 290.407 3.654 30 20 CHED CCCCCCCCC(=O)NCc1ccc(C(=O)O)cc1 43273673 WAEDTCMOZPUQME-UHFFFAOYSA-N 291.391 3.752 30 20 CHED CC(C)(CCC#N)CNCc1ccccc1Cl 135122770 XQEIDDYYTOQJMM-UHFFFAOYSA-N 250.773 3.760 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1 328920421 BATFYRSFZXCYSF-GBOPCIDUSA-N 295.423 3.542 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCC1(C)Cc2ccccc2C1 426205080 JMUYRIIOZDDUJY-KRWDZBQOSA-N 298.430 3.542 30 20 CHED CC(=O)Nc1ccc(O[C@H](C)c2ccc(C#N)cc2)cc1 194622388 HFDWYQPXJDCOSR-GFCCVEGCSA-N 280.327 3.657 30 20 CHED CC1CCC(CC(=O)N2CCc3c(C#N)cccc32)CC1 421652244 QFNRTAPNYKISAE-UHFFFAOYSA-N 282.387 3.664 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)Cc2ccccc2O1 429159381 LTKMIDLGVXOHPT-OAHLLOKOSA-N 292.382 3.536 30 20 CHED C#CCCCC(=O)N(CCC)[C@H]1CCc2ccccc2C1 192227902 JJBOSETUGGZOHO-SFHVURJKSA-N 283.415 3.586 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](CC)Cc1ccccc1 513390952 UWSGXQGVMRQPHQ-CVEARBPZSA-N 274.408 3.662 30 20 CHED Cc1cccc(C(O)=Nc2cnc(C(C)(C)C)nc2)c1F 330960581 FOTRYSNICJTDFR-UHFFFAOYSA-N 287.338 3.858 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1coc2cc(F)ccc12 337098159 SRTQFDWQWPFRJT-CYBMUJFWSA-N 275.323 3.585 30 20 CHED Clc1ccc(C#CCN2CC[C@@H]3CCC[C@@H]32)cc1 426481501 ALLHCARHNUJYKP-HOCLYGCPSA-N 259.780 3.566 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)Cc1cccs1 337898438 GLOOOWMCJHYDRU-GFCCVEGCSA-N 290.436 3.676 30 20 CHED Cc1cc(CN[C@H]2CCOc3ccc(F)cc32)ccc1C#N 335383835 UEFAJYBSHSYGSU-KRWDZBQOSA-N 296.345 3.619 30 20 CHED C=CCC(C)(C)c1nc(-c2ccccc2-n2cccn2)no1 426437001 KPDDKMZJJSKERH-UHFFFAOYSA-N 294.358 3.776 30 20 CHED N#CCCNC(=O)NCC1(C2CCCCC2)CCCCC1 426410893 KEEGFCNXGGEDPQ-UHFFFAOYSA-N 291.439 3.730 30 20 CHED C[C@H](N/C(O)=N/[C@H](C)CC1CCCCC1)[C@H]1CCCOC1 330208145 AVVPJBBUOYDIGQ-YCPHGPKFSA-N 296.455 3.664 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 424782992 JCCAAVANMZPLKJ-GJZGRUSLSA-N 281.440 3.689 30 20 CHED Cc1cccc([C@@H](C)Nc2cnccc2C#N)c1C 94160295 VLLCPMLJNDDYAI-CYBMUJFWSA-N 251.333 3.743 30 20 CHED C=CCc1ccccc1OS(=O)(=O)c1ccc(C)s1 98074025 BVFLYNZLYORJPZ-UHFFFAOYSA-N 294.397 3.553 30 20 CHED Cc1ccccc1N(C(=O)c1ccc(C#N)c(C)n1)C(C)C 335652230 ZJZPPPUGQIOXQP-UHFFFAOYSA-N 293.370 3.625 30 20 CHED CCC1(C/N=C(/O)N[C@@H]2CCO[C@H](C(C)C)C2)CCCC1 330629752 NNWLLXWIZVEUNL-CABCVRRESA-N 296.455 3.664 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 335517070 WOILHSPPQJHKNI-OCCSQVGLSA-N 293.432 3.639 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1-n1nccc1C 439371679 PWAKZAPUYSVZCD-CQSZACIVSA-N 298.390 3.657 30 20 CHED O=C(/C=C\c1ccccc1C(F)(F)F)c1cccnc1 96766344 AOOPSEWBGXSMSZ-FPLPWBNLSA-N 277.245 3.997 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H](C)c1ccsc1 336581261 ISOJCKWAVRLYEE-NSHDSACASA-N 270.357 3.670 30 20 CHED Cc1nsc(N[C@@H]2CCCc3sccc32)c1C#N 92912352 FLMXTQADFNDGDT-LLVKDONJSA-N 275.402 3.874 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1ccc(C)o1 98084799 FYZNQVIZNJGNNL-CMDGGOBGSA-N 272.300 3.501 30 20 CHED CC#CCCNC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 430188486 SIVGLRBZWLLKDT-KRWDZBQOSA-N 284.403 3.510 30 20 CHED CCCc1csc(CNC2(c3cccc(C#N)c3)CC2)n1 341215825 RIIRWWUSDHYSEZ-UHFFFAOYSA-N 297.427 3.746 30 20 CHED C=CCC[C@H](NC(=O)c1cc(C)nc(O)c1)c1ccccc1 347480446 RDJWUVDCAIGNCN-INIZCTEOSA-N 296.370 3.533 30 20 CHED CC(C)CN(CC[C@H]1CCCN1C)Cc1ccc(C#N)cc1 348047463 NUDJUWSINUAMFH-LJQANCHMSA-N 299.462 3.501 30 20 CHED C=CC[C@H](CC)NC(=O)NCc1c(F)cccc1SC 346286338 YYXQZWVSKCALAZ-NSHDSACASA-N 296.411 3.702 30 20 CHED CCC1(CC)CCCN(C(=O)NCC2(CC#N)CC2)CC1 431207558 OFXKVTUDXWSPQX-UHFFFAOYSA-N 291.439 3.682 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](CCO)c1ccc(Cl)cc1 348223008 XJOZCWWKRYFQBA-XEZPLFJOSA-N 281.827 3.954 30 20 CHED COc1cc(/C=C\c2ccncc2C#N)ccc1SC 347420806 CXJQDLMFLGBMFO-HYXAFXHYSA-N 282.368 3.854 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(Cl)cn1 343238175 MRGLAYVJBJFFLA-MRVPVSSYSA-N 293.157 3.828 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccn(C(F)F)n1 347696338 GNKBXUBUWYQUTD-UHFFFAOYSA-N 291.345 3.509 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[C@H](C2CC2)C1 436295757 ZTIDGKUMKBOSDK-HZMVEIRTSA-N 263.425 3.526 30 20 CHED CCN(C(=O)[C@H]1CC=CCC1)[C@H](C)c1ccc(C#N)cc1 252016396 VUENUKYJAGGYAH-PBHICJAKSA-N 282.387 3.824 30 20 CHED CCCc1ncc(C(=O)Nc2scc(C)c2C#N)s1 344917747 DCAYWPHGKAOERL-UHFFFAOYSA-N 291.401 3.590 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cccnc1C 255007784 JAPQTBLYHNBWJM-FPLPWBNLSA-N 267.328 3.603 30 20 CHED N#Cc1cccc(C2(C(=O)Nc3ccc(Cl)cc3)CC2)c1 435039648 HZVVPZGOKMYVEC-UHFFFAOYSA-N 296.757 3.882 30 20 CHED CC(C)(CNC(=O)c1cccc(C#N)c1)Cc1ccccc1 609757665 PPICYLFSZIHTJC-UHFFFAOYSA-N 292.382 3.557 30 20 CHED N#CC[C@H](CC(=O)Nc1cccc(O)c1F)c1ccccc1 527002222 CIDMDLAJZBPLGE-CYBMUJFWSA-N 298.317 3.557 30 20 CHED C[C@H](CCC#N)CNC1(c2ccc(Cl)cc2)CC1 602567036 SZAAVSSBPSKGSM-GFCCVEGCSA-N 262.784 3.859 30 20 CHED COc1ccccc1C=NOCc1ccc(F)c(F)c1 255170476 YRFXJDBLHGNFGM-UHFFFAOYSA-N 277.270 3.524 30 20 CHED C=CCC1(C(=O)Nc2nc3ccccc3[nH]2)CCCC1 449045928 JGFPRIAYCHXBMT-UHFFFAOYSA-N 269.348 3.638 30 20 CHED C[C@H](CC1(C#N)CCOCC1)Nc1cccc2cc[nH]c12 602613997 CPZGOGROVSNEFJ-CYBMUJFWSA-N 283.375 3.679 30 20 CHED Cc1ccc2ccccc2c1CN(CCC#N)CCC#N 268912436 NYLAWRJQQBWCFD-UHFFFAOYSA-N 277.371 3.778 30 20 CHED C[C@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1ccc(C#N)cc1 266519942 ZJMUYHKEDQFGKW-KBPBESRZSA-N 292.382 3.905 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC[C@@H]1CCCOC1 532709434 XXRREXWXGOOAPF-KBPBESRZSA-N 290.432 3.919 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1cnc(N)s1 261725565 GKMSFBQRFLMCGW-UHFFFAOYSA-N 299.852 3.628 30 20 CHED CC[C@H](CC#N)NC(=O)CC(C)(C)C1CCCCC1 356763410 HOCYDJNEKMFDAV-CQSZACIVSA-N 264.413 3.791 30 20 CHED CC(C)N(CC#Cc1ccc(F)cc1)CC1CCC1 444759175 FOMAFKHUBRBAAD-UHFFFAOYSA-N 259.368 3.688 30 20 CHED C=CC[C@H]1N(C(=O)CC(C)(C)CC(C)=O)CCCC1(C)C 444639258 YWYVFLYXOAVESQ-OAHLLOKOSA-N 293.451 3.975 30 20 CHED N#C[C@@H]1CCC[C@@H](NC2(Cc3ccccc3)CCC2)C1 447589054 WUPRYPWMQPMEFI-IAGOWNOFSA-N 268.404 3.824 30 20 CHED Cc1cc(CNc2cccc(OCCF)c2)ccc1C#N 443979305 KNACOVZTJSIXGI-UHFFFAOYSA-N 284.334 3.827 30 20 CHED CCC[C@](C)(CC)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 619450134 LBIHHUVPLCZGNY-AEFFLSMTSA-N 284.403 3.878 30 20 CHED Cc1ccc(CN(CCC#N)C(C)C)c(Br)c1 535796123 XMQAICBXMLTULQ-UHFFFAOYSA-N 295.224 3.882 30 20 CHED CCC[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 610707728 FIAOKTLHEDZEQF-CABCVRRESA-N 299.418 3.841 30 20 CHED CC(C)[C@H](CNCc1ccc(C#N)cc1F)c1cccnc1 269414060 JUFZWWRXFPETEI-KRWDZBQOSA-N 297.377 3.622 30 20 CHED C[C@@H](c1cccc(O)c1)N(C)Cc1cccc(C#N)c1F 352881205 DNNOJPQQZWBPTI-LBPRGKRZSA-N 284.334 3.596 30 20 CHED C=CCN(C(=O)[C@@H](C)Sc1ccc(Cl)cc1)C1CC1 536820874 LPMSFWRWHQJTBG-LLVKDONJSA-N 295.835 3.998 30 20 CHED Cc1ccc(C/N=C(\N)Nc2cccc(C(C)C)c2)nc1C 263186672 UYLGBIFNFVVALZ-UHFFFAOYSA-N 296.418 3.749 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(Cl)cc1 618731217 PGXGSLQSMYQFRK-INIZCTEOSA-N 296.757 3.629 30 20 CHED CC1=CCN(c2c(C#N)cnc3c(C)cccc23)CC1 611116229 QLWNHRCKWHORSR-UHFFFAOYSA-N 263.344 3.571 30 20 CHED C[C@H]1CCC[C@@H](N(C)C(=O)NCC(C)(C)CCC#N)C1 358701550 ZBBQEAHQDIJAOZ-UONOGXRCSA-N 279.428 3.536 30 20 CHED Cc1coc2ccc(NC(=O)N3CCC[C@@](C)(C#N)C3)cc12 614261128 POYLFBLYASVZRY-KRWDZBQOSA-N 297.358 3.899 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc3cnccc3c2)C1 617777767 WIONUPLUEHTTOQ-CQSZACIVSA-N 280.371 3.663 30 20 CHED C[C@H]1CCC[C@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)C1 610975287 AEDRYAIYWWIOPJ-GJZGRUSLSA-N 296.414 3.880 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 459849917 IGLGWUNGPHGUQN-ZYHUDNBSSA-N 288.416 3.729 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C1[C@H]2CCCCCC[C@H]12 614133735 PVHWRQNQFMPJTD-ILXRZTDVSA-N 261.409 3.770 30 20 CHED CCCCN(CCCC)C(=O)NCC(C)(C)CC#N 459264185 YPZBGRDAKVHSPM-UHFFFAOYSA-N 267.417 3.538 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(C)c(O)c(C)c1C)OCC 274770510 WEZKCNQAVPFSOT-OAHLLOKOSA-N 291.391 3.627 30 20 CHED C=CCC(CC=C)C(=O)Nc1csc(-c2ccncc2)n1 361857107 BTBMZHOZZLVSCY-UHFFFAOYSA-N 299.399 3.912 30 20 CHED C[C@H]1C[C@H](CC(=O)N2CCC(CC#N)CC2)CC(C)(C)C1 542907501 KQMMOJQBODDIMU-GOEBONIOSA-N 290.451 3.991 30 20 CHED Cc1ccnc(N2CC[C@@H](c3ccccc3)[C@H]2C)c1C#N 541280204 YTFMJIULAWLADJ-GDBMZVCRSA-N 277.371 3.644 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)s1)C1CCCC1 458333453 HIXJKKGSFNSUCF-ZDUSSCGKSA-N 276.405 3.708 30 20 CHED CCNc1cc(C)ccc1NC(=O)c1ccc(C#N)s1 360073185 UMTPFZQTKYQNRG-UHFFFAOYSA-N 285.372 3.612 30 20 CHED Cc1ccc(CCC(=O)Nc2cccc(CC#N)c2)c(C)c1 456725027 FYJQTKSQYQOSAF-UHFFFAOYSA-N 292.382 3.941 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(CC#N)c1 456761163 XRHVNOBKHNHALO-CABCVRRESA-N 296.395 3.865 30 20 CHED C=CCC1(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CCCCC1 450144115 ZAXPWAIQPAEHPG-RCCFBDPRSA-N 295.426 3.968 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](c2ccccc2OC)C1 275967152 JFJCJUKIHALDGS-KBXCAEBGSA-N 287.403 3.613 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)N1CCC(CC#N)CC1 542844689 MSYGHTSSPYUELQ-JKSUJKDBSA-N 291.439 3.681 30 20 CHED C=C(C)CNC(=O)Nc1cc(C)c(C)cc1Cl 455751398 SQMYTNPMHMAYGU-UHFFFAOYSA-N 252.745 3.654 30 20 CHED C=CCN(CCC#N)C(=O)Nc1cccc(CC)c1CC 455259858 AIAMGLOCNVRRIG-UHFFFAOYSA-N 285.391 3.745 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 452771843 BYGIURNASWZMLQ-GHMZBOCLSA-N 297.320 3.536 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(CC#N)c1 452413581 DUZSTXHZTPGRNM-DOTOQJQBSA-N 284.403 3.699 30 20 CHED C=CCCN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273375274 CIQJKQWGFITELF-JKSUJKDBSA-N 263.356 3.554 30 20 CHED C[C@H](NC[C@@H](C)c1nccs1)c1ccc(C#N)c(F)c1 273452103 OWPQKNRKRYFVOD-MNOVXSKESA-N 289.379 3.608 30 20 CHED C=CCCCSc1nnc2ccc(Br)cn12 549407295 QEORPMMQRJBBHQ-UHFFFAOYSA-N 298.209 3.550 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1ccc2c(c1)CCCC2 278193338 FBURDUWPXOHQMB-ZDUSSCGKSA-N 284.403 3.682 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N(C)c1cccc(C#N)c1 543468916 ISVIKKLLCUASGR-ZDUSSCGKSA-N 272.392 3.983 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)C(C)(C)C1 546829759 GKBVKDUIJZLURU-ZIAGYGMSSA-N 256.393 3.987 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1cc(SC)ccc1C 271967257 ZNQDABZIJINUAA-GFCCVEGCSA-N 279.405 3.637 30 20 CHED CC(C)(C#N)Cc1nc(Cc2ccc(F)cc2Cl)no1 289992783 FADUTHKQINDBHI-UHFFFAOYSA-N 293.729 3.545 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC2(CCOCC2)CC1 284721732 JLELQBVZJCIXGK-OAHLLOKOSA-N 284.403 3.512 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1c1cccc(C)c1C 464754659 GZCUXJWYBXTRHN-XJKSGUPXSA-N 272.392 3.724 30 20 CHED N#Cc1ccnc(N[C@H]2CCCc3ccc(F)cc32)c1 287695581 KCIDVGKOMQKGKN-HNNXBMFYSA-N 267.307 3.582 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2coc3ccccc23)no1 289097091 OHYHRSIRBANZPZ-QGZVFWFLSA-N 298.342 3.963 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](CC)c1ccncc1 281213521 CPRHRFIJSWLTTF-HUUCEWRRSA-N 275.396 3.529 30 20 CHED C=C(C)CN(C)C(=O)CCc1ccccc1C(F)(F)F 632323571 APIPMFLZLCQQFA-UHFFFAOYSA-N 285.309 3.673 30 20 CHED C=CCc1cc(C)cc(OC)c1OCc1ccc(F)cn1 468414509 KHOJAERSMFHGIK-UHFFFAOYSA-N 287.334 3.845 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1cccnc1C 287074662 MZISHXNRESKPPG-UHFFFAOYSA-N 294.398 3.537 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CC(CC)CC 553419291 PRNNHRVSDVFDKS-UHFFFAOYSA-N 293.407 3.503 30 20 CHED N#Cc1ccc(F)cc1CN1CCSc2ccccc21 468817019 DFWNGPORTBJVEP-UHFFFAOYSA-N 284.359 3.810 30 20 CHED N#CC1(CCCNc2c(F)cc(F)cc2F)CCOCC1 281189420 MLOYKWANBYOVME-UHFFFAOYSA-N 298.308 3.616 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1nnn(-c2ccc(C)cc2)c1C 467412909 KRIJSMXDFGKPTN-GDBMZVCRSA-N 298.434 3.889 30 20 CHED C=CC[C@@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 468655145 HGVQTQAXCHXCGU-KIWPFMIBSA-N 260.337 3.552 30 20 CHED CC(C)(C#N)CC(=O)NCc1cccc(Cl)c1Cl 554300461 LGUMBSSTPZTRIF-UHFFFAOYSA-N 285.174 3.549 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](C)C[C@@H]1CC 460374545 LNRYKOYGCIDKTP-ZFWWWQNUSA-N 288.439 3.747 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 467407367 XAOPLFDJXHJJAK-JSGCOSHPSA-N 286.419 3.922 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3cnc[nH]3)cc2)C1 633616991 LPHYKJUZACTOFX-CQSZACIVSA-N 295.386 3.505 30 20 CHED CCc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1 389119468 OIJYHXJEUWOUEF-AWEZNQCLSA-N 294.398 3.980 30 20 CHED C=C(C)CCN[C@@H](c1nc(C)cs1)C(F)(F)F 295303985 FLLREQUCIBEEOS-VIFPVBQESA-N 264.316 3.611 30 20 CHED C=CCCCC(=O)N(C)CCOc1cccc(Cl)c1 479524858 IQXNMCBKYJLMHC-UHFFFAOYSA-N 281.783 3.534 30 20 CHED C=CCCCCNC(=O)[C@H](CC)Oc1cccc(C)c1 471709843 URSQTBFLHSGUKN-INIZCTEOSA-N 275.392 3.625 30 20 CHED CN(Cc1ccc(Cl)c(F)c1)[C@@H]1CC[C@@H](C#N)C1 293927559 YMNSJWDUOSVWPZ-ZYHUDNBSSA-N 266.747 3.603 30 20 CHED C#C[C@@H](NC(=O)c1cc2cccc(C)c2o1)C(C)(C)C 807878880 GUGJRIYMNOTQMP-CQSZACIVSA-N 269.344 3.519 30 20 CHED N#Cc1ccc(NC(=O)/C=C\c2cccs2)c(Cl)c1 701159656 FBZQZLCCGKUZGF-XQRVVYSFSA-N 288.759 3.925 30 20 CHED C=CCCCC(=O)Nc1cc(C)c(OC)cc1Cl 290231749 VYGPXSLDWOMWOA-UHFFFAOYSA-N 267.756 3.952 30 20 CHED C#C[C@@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)C(C)(C)C 807880074 CBLOSWCEPNFFDP-MRXNPFEDSA-N 282.387 3.562 30 20 CHED CCCCOc1ccc(C(C)=NN[C@H]2CCSC2)cc1 808001962 RXIFLXLYOOAVOK-HNNXBMFYSA-N 292.448 3.685 30 20 CHED CC(C)c1ccc(C(=O)OCCO[C@@H](C)C#N)cc1Cl 801859584 AIVZHQYGTYVCHR-NSHDSACASA-N 295.766 3.549 30 20 CHED CC(C)C[C@@H]1CCCC(=NN[C@@H]2CCSC2)C1 807999728 ABYQBQPRNWSXCR-GXTWGEPZSA-N 254.443 3.674 30 20 CHED CCSCC(=NO[C@@H]1CCCCO1)c1ccccc1 807981503 IQPMVPRKOXVTAB-OAHLLOKOSA-N 279.405 3.687 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCCCCC#N 297680560 OFOWCCWYWNROQN-BFYDXBDKSA-N 299.418 3.656 30 20 CHED C=C(Br)CN(C)[C@@H](CC)c1ccccc1OC 805835843 UXXYYTWJCANXOV-ZDUSSCGKSA-N 298.224 3.987 30 20 CHED C=C(C)COC(=O)c1cc2c(C)cc(C)nc2s1 804251502 LAFFWPYJHQJYJP-UHFFFAOYSA-N 261.346 3.646 30 20 CHED C=CC(C)(C)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 395401303 SSHHRHHZDBPNHI-GFCCVEGCSA-N 293.407 3.575 30 20 CHED CCC(CC)(OC)c1noc(/C=C\c2ccc(C#N)cc2)n1 562116113 ZFQPEIYNSJDOTA-KHPPLWFESA-N 297.358 3.773 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)Nc1[nH]nc(C2CC2)c1C#N 290334426 FBNQCPFWUVRYPU-SNVBAGLBSA-N 288.395 3.560 30 20 CHED C=CCOCCN(C1CC1)[C@H]1CCCc2ccccc21 645093261 KMOKECPADRBEAE-SFHVURJKSA-N 271.404 3.731 30 20 CHED CC1(C)CCC[C@H]1CN[C@H]1CCc2ccc(C#N)cc21 569950413 OTWIHTGNVHTGAZ-RDJZCZTQSA-N 268.404 3.961 30 20 CHED C#C[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1)C(C)(C)C 808317512 UQHNLLLTOKPPDE-CQSZACIVSA-N 292.810 3.529 30 20 CHED CN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 565260766 XCRPKUTYLHEXOB-UHFFFAOYSA-N 296.374 3.783 30 20 CHED C=C[C@@](C)(O)CC(=O)N(CCCC)[C@@H](C)CCCC 647430236 XYCSJOWYGDKEFL-GOEBONIOSA-N 269.429 3.521 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H]1CCCc1ccccc1 487300557 GFGILQTXDZMCSG-WBVHZDCISA-N 286.419 3.758 30 20 CHED Cc1ccc(C[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 485117038 NHHGYXFHTNQBAA-AWEZNQCLSA-N 278.355 3.684 30 20 CHED COCc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc1 811692511 BNCIJYFMYDITHG-CAOOACKPSA-N 289.334 3.527 30 20 CHED Fc1ccccc1NN=Cc1ccc(OC(F)F)cc1 812458517 DWEFLKSVYPEBCF-UHFFFAOYSA-N 280.249 3.873 30 20 CHED CCOc1c(Cl)cccc1C=NOC/C=C\Cl 811671334 DAXWYANWWJHMFT-OPXLJTMYSA-N 274.147 3.842 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CCC1CCCC1 488293014 ZXEVKZCPZHWFJB-DOTOQJQBSA-N 293.451 3.929 30 20 CHED C#CCCCC(=O)N1CC[C@H](c2ccccc2)C1(C)C 817506776 NKESZAKEMOBDOZ-MRXNPFEDSA-N 269.388 3.585 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNCc1ccc(F)c(F)c1 814809164 ZILAWUSJNRNBFH-LBPRGKRZSA-N 291.345 3.760 30 20 CHED CC(C)COc1ccccc1C=NN[C@@H](C)c1ccncc1 819818595 NXJXGJOXKRTBFY-HNNXBMFYSA-N 297.402 3.801 30 20 CHED CC[C@H](C)c1ccc(C(=O)N[C@]2(C#N)CC2(C)C)cc1 813300788 MSTRFUXYSMXBJG-SJCJKPOMSA-N 270.376 3.622 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(C)=O)c(C)c1 488897944 NRFDRVDQNNKOKO-OAHLLOKOSA-N 286.375 3.770 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc3[nH]ccc3c2)c1 811630169 VOELOLYUIKPINP-UHFFFAOYSA-N 280.287 3.522 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ccccc1C 489930953 FNMLEHYGVUQWGI-UHFFFAOYSA-N 259.393 3.646 30 20 CHED N#Cc1ccc(OCCCc2cccc(F)c2)c(F)c1 484695027 RIDNKWGJTJBHLF-UHFFFAOYSA-N 273.282 3.848 30 20 CHED C=C(C)CCc1noc(C[C@H](C)N2CCc3ccccc32)n1 656018115 NSOMKUNKRGABKI-AWEZNQCLSA-N 297.402 3.572 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CC=CCC1 570916740 ZLEAZALADROWLP-OAHLLOKOSA-N 275.392 3.506 30 20 CHED CCOc1ccc(Cl)c(NC(=O)C2(C#N)CC(C)C2)c1 570138868 XUXLKRKPNPQVDI-UHFFFAOYSA-N 292.766 3.617 30 20 CHED CC(C)CC[C@@H]1CCCN1c1ccc(C#N)c([N+](=O)[O-])c1 575376765 HSCSBAIMPSZUKK-AWEZNQCLSA-N 287.363 3.871 30 20 CHED CC#CCCNC(=O)N(Cc1cccc(Cl)c1)C(C)C 483431111 ZSQSPEGVFDCZOD-UHFFFAOYSA-N 292.810 3.673 30 20 CHED C=CCCC1(C(=O)Nc2ccc(-c3nncs3)cc2)CC1 579204689 AYSXUWWZRMQBOQ-UHFFFAOYSA-N 299.399 3.890 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)Nc1cc(CC#N)ccn1 579839678 LWIVATMJNNAGMM-AWEZNQCLSA-N 285.391 3.859 30 20 CHED C=CCOc1ccc(CNC2CCC(OCC)CC2)cc1 658009362 KYNFORGNJDGSSK-UHFFFAOYSA-N 289.419 3.689 30 20 CHED CC[C@H](Cc1ccccc1)/N=C/c1c(O)cccc1OC 727781448 NPLPORYDTVGSTB-DQPIFXJKSA-N 283.371 3.841 30 20 CHED CC(C)(C)OC(=O)Nc1cc(CSCCC#N)ccn1 496062724 FLFGMTVZIPLJHS-UHFFFAOYSA-N 293.392 3.575 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2nccc(C)c2c1 490016347 YNCNYTWCEKPOPL-UHFFFAOYSA-N 282.387 3.875 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)OCC1(CC#N)CC1 820139189 UPEYFIAOIRTSDL-OAHLLOKOSA-N 285.387 3.801 30 20 CHED N#Cc1ccc(OCCCN2CCC[C@@H]2C2CCC2)cc1 728289060 IOOWTBDYZSBICO-GOSISDBHSA-N 284.403 3.592 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCC(C)(C)F 666424848 ACXLWNZYAPEEKB-UHFFFAOYSA-N 278.371 3.522 30 20 CHED CCn1cc(C(=O)/C=C\c2cc(Cl)cs2)cn1 588601221 DJBZIMFEJNBKSG-ARJAWSKDSA-N 266.753 3.514 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)[C@H]1CCCC[C@H]1C 825614443 VXVUOQXAZWFEFV-WBMJQRKESA-N 288.366 3.738 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCCCC[C@H]1c1ccncc1 820636480 WIADLVRIEXYRAN-SJORKVTESA-N 299.418 3.510 30 20 CHED C=C[C@H](CC)CC(=O)NCc1cccc(-c2cnco2)c1 823777213 RMDVYBOXUDKUIQ-CYBMUJFWSA-N 284.359 3.560 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2ccc(F)cc2C)cc1 731319956 SPMWQNWFVUUHMV-BJMVGYQFSA-N 298.313 3.817 30 20 CHED CC(C)(C)CN(CC(C)(C)C)C(=O)c1ccc(C#N)o1 497772273 ASCZYSPPWIPKNI-UHFFFAOYSA-N 276.380 3.686 30 20 CHED CC(C)CN(CCC#N)CCc1c(F)cccc1Cl 739914885 RAFJPFCWANEPNB-UHFFFAOYSA-N 282.790 3.893 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1ccc2cc(O)ccc2c1 835000350 JYUZIHBPKQVFDE-JTQLQIEISA-N 296.292 3.810 30 20 CHED C=CCC1(C(=O)NCCCCCC(C)=O)CCCCC1 909107369 LKPINODKVDTHHZ-UHFFFAOYSA-N 279.424 3.779 30 20 CHED C[C@H]1CC(=NNc2nc(-c3ccccc3)cs2)[C@@H](C)O1 834935919 RLNHUHBTUCZLCV-WDEREUQCSA-N 287.388 3.775 30 20 CHED O=C(C#Cc1cccs1)N1CCC[C@H](c2ccccc2)C1 833599803 UGPVZGQWXQERLW-INIZCTEOSA-N 295.407 3.506 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cc(C)ccc2F)no1 903668210 JNYUMQRRQAFVKO-FZMZJTMJSA-N 288.322 3.633 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC[C@H]1c1ccccc1 839319276 OURIRQJFGLRHSR-IXDOHACOSA-N 284.403 3.625 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2nc(CC)cs2)C1 666223283 JDCVMCQVXQYJFN-LLVKDONJSA-N 279.409 3.526 30 20 CHED C#CCO[C@@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 834727047 XYZXRLLCSFASOS-LBPRGKRZSA-N 284.359 3.745 30 20 CHED CC(C)(CNC(=O)CCCCCC#N)c1ccc(F)cc1 588156510 YJJBATVEIQLBLZ-UHFFFAOYSA-N 290.382 3.694 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)C1CCCCC1 582568532 HOTAZCLAXSFVQM-JSGCOSHPSA-N 252.402 3.609 30 20 CHED Cc1c(C#N)cccc1NCc1coc(C(C)(C)C)n1 901394865 SPANLOUJVHSFFV-UHFFFAOYSA-N 269.348 3.764 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OC[C@@H]1CCCCC1(F)F 835644431 XGPYRVIPISMGPW-JSGCOSHPSA-N 290.350 3.584 30 20 CHED C[C@H](NCC1(C#N)CC1)c1cc(Cl)c(N)c(Cl)c1 903106483 RIHOAWYGKSOCON-QMMMGPOBSA-N 284.190 3.530 30 20 CHED C=CCC[C@@H](C)OC(=O)C[C@@]1(C)CC1(Cl)Cl 835266686 BVWMURVEMLOUNL-KOLCDFICSA-N 265.180 3.858 30 20 CHED C=CCCCCCN(C)Cn1cnc(-c2ccccc2)n1 739887571 URLPMYVPGPRPSB-UHFFFAOYSA-N 284.407 3.581 30 20 CHED C=CCC1(CNC(=O)CC2CCC(OC)CC2)CCCC1 836991643 XFILOLACKLGBBM-UHFFFAOYSA-N 293.451 3.834 30 20 CHED CC[C@@H](Nc1cccc(C#N)n1)c1ccccc1OC 736287304 ZVGOKYNERTVHLP-CQSZACIVSA-N 267.332 3.525 30 20 CHED C#CCCCC(=O)O[C@H](c1ccccc1)c1ccncc1C 835521761 VSOCOEOPCQKRKA-LJQANCHMSA-N 293.366 3.826 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C[C@H]1CCCO1 917870750 FDCOBWLOBOXTKL-LSDHHAIUSA-N 269.429 3.668 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1cc(C)cc(C)c1 730430826 SJXVWDAENOFMOQ-UHFFFAOYSA-N 274.755 3.583 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2coc3ccccc23)C1 839048348 CRNWKVDVQHLFAN-VXGBXAGGSA-N 269.300 3.672 30 20 CHED CC(=NNc1ncccn1)c1cc(Cl)sc1Cl 912974451 WWLJEYWLMXLADZ-UHFFFAOYSA-N 287.175 3.681 30 20 CHED Cc1cccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1C 839058348 RTPNDAHUEWAUTP-KGLIPLIRSA-N 257.333 3.543 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2c2cc(C#N)cnn2)cc1 596154094 KVEHQHYEAMIWBP-KDOFPFPSSA-N 292.386 3.634 30 20 CHED CCC[C@H](C(=O)NCC1(C#N)CC1)c1ccc(Cl)cc1 597611171 UZYCDNDAEHIFJR-AWEZNQCLSA-N 290.794 3.644 30 20 CHED Cc1ccccc1C=NNc1ccc2ccccc2n1 916286914 ZGZKARVINLFCFR-UHFFFAOYSA-N 261.328 3.989 30 20 CHED N#CCCC1CCN(Cc2cc(F)c(F)c(F)c2)CC1 592517298 ZNICBKMGEGEGOE-UHFFFAOYSA-N 282.309 3.620 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1sc(C)nc1C 743449975 IOTNJFKDTOCDME-UHFFFAOYSA-N 280.784 3.644 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cccc(SC(F)F)c1 844528530 LQODXDQVKNKKOH-MRVPVSSYSA-N 288.319 3.629 30 20 CHED C=C(CN[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 675782714 XGRGWEZCXSOEBG-AWEZNQCLSA-N 281.355 3.779 30 20 CHED C=CCCCOC(=O)[C@@H](C)CCc1cccc(F)c1 745584620 ITQQQXOMSYHGOB-ZDUSSCGKSA-N 264.340 3.904 30 20 CHED CCCCCCc1ccc(C(C)=Nn2cnnc2)cc1 912773366 MOFSVEVHYUDRKE-UHFFFAOYSA-N 270.380 3.673 30 20 CHED C=CCN(C(=O)Cc1ccc2c(c1)CCCC2)C(C)C 914682907 RGFFEHWUINCVFS-UHFFFAOYSA-N 271.404 3.531 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N[C@]1(C#N)CC1(C)C 599956026 UQPGBFQWPFJWDL-SFHVURJKSA-N 294.354 3.677 30 20 CHED FC(F)CNN=Cc1c(Cl)ccc(Cl)c1Cl 740617742 NXDJOUBAHOMHPI-UHFFFAOYSA-N 287.524 3.835 30 20 CHED CCCCCCCOC(=O)c1ccc2c(c1)CCC(=O)N2 918494204 PVERJQCJCASZDC-UHFFFAOYSA-N 289.375 3.699 30 20 CHED CC1(C)C(c2noc(CCCCCC#N)n2)C1(C)C 599196510 UACXOHSIENWUOD-UHFFFAOYSA-N 261.369 3.846 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C(C)C1CCCCC1 746679327 DASPVCSDJWSKFE-UHFFFAOYSA-N 291.351 3.972 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1ccc(O)cc1 916246886 NUAQOWUUGVZQBW-UHFFFAOYSA-N 260.724 3.882 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)NC1(C)CC=CC1 594070309 SQTCGTRMCXIVHP-UHFFFAOYSA-N 299.374 3.576 30 20 CHED CCC(=NNc1cccc2c1CCCC2)[C@H]1CCOC1 741839901 WQUBBGKXDRTKPC-AWEZNQCLSA-N 272.392 3.780 30 20 CHED C#CCN(C(=O)N[C@@H](CC)CCC)C1CCCCC1 744888078 YURMNGIEJIRXGU-AWEZNQCLSA-N 264.413 3.543 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)nc(C2CC2)c1 846999245 HCOIKBPWCJGPHD-CYBMUJFWSA-N 290.794 3.793 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C[C@@H](CC)c1ccc(C)cc1 594089184 NTEDAJZKSVQRIT-ZBFHGGJFSA-N 272.392 3.639 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCCC(F)(F)CC1 599552263 ZIWMHKACQFNNDT-GFCCVEGCSA-N 264.319 3.740 30 20 CHED CC[C@@H](C)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842945237 OWMKGPBSWRSJCD-KOLCDFICSA-N 262.378 3.633 30 20 CHED C=CCCC(CCC)=NNc1ccc(CC(=O)O)cc1 848414348 MNAUKQNWOBPHQN-UHFFFAOYSA-N 274.364 3.848 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H]2CCCC[C@@H]2C)c1 920434132 PWBVXOZIRYQVMP-ZFWWWQNUSA-N 255.361 3.823 30 20 CHED C=C(C)CONC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 846536055 QNPULELGMDNUOP-JKSUJKDBSA-N 297.439 3.766 30 20 CHED Cc1cccc2c1C(=NNc1nccnc1C1CCC1)CC2 841636708 CMQWBWAPVYPOAY-UHFFFAOYSA-N 292.386 3.815 30 20 CHED CS[C@H]1CCC[C@H](NC2(c3cccc(C#N)c3)CC2)C1 921926275 UVRWJFKDFANZNP-HOTGVXAUSA-N 286.444 3.811 30 20 CHED Cc1cccc([C@H](C)C(=O)O[C@H](C)CC(C)(C)C#N)c1 851209508 MHZVAHXXIXDKQU-KGLIPLIRSA-N 273.376 3.970 30 20 CHED C#CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(C)C 928628662 AQYGXFXJZDWPCJ-CQSZACIVSA-N 297.320 3.593 30 20 CHED COc1ccccc1-c1ccc(C=NOCC(F)F)cc1 758904853 ZREHAUYUTPERTL-UHFFFAOYSA-N 291.297 3.978 30 20 CHED CC#CC(=O)N(CC)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 856258491 RSIJCQRFRSBGCO-LBPRGKRZSA-N 297.320 3.508 30 20 CHED C#Cc1cccnc1NCc1ccc(CN(CC)CC)cc1 853095817 ZRXIFCHVQWMENB-UHFFFAOYSA-N 293.414 3.517 30 20 CHED C#CCCCC(=O)Nc1nc2c(C)ccc(C)c2s1 757859041 WDNDWTKFDUGXFL-UHFFFAOYSA-N 272.373 3.655 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C1CC(F)(F)C1 851141577 BGMSJKUCYJUDSQ-ZYHUDNBSSA-N 258.308 3.710 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCc2cc(F)ccc21 851201724 BPJFHWBSWYORMA-NHYWBVRUSA-N 289.350 3.727 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCc2cccnc21 921814700 BREONLLAPARWNC-UKRRQHHQSA-N 287.407 3.503 30 20 CHED O=C1CC2(CCCCC2)CC(=O)C1=CNCc1ccccc1 920976681 PKHYMKWODFQIDI-UHFFFAOYSA-N 297.398 3.543 30 20 CHED Cc1ccc(NN=C2[C@@H]3CCCO[C@H]3C2(C)C)cc1F 853438562 GVJZRHRZMGHJJL-SWLSCSKDSA-N 276.355 3.737 30 20 CHED C[C@@H]1CCCC[C@@H]1CON=C1CCC2(CC1)OCCO2 853654149 PPLDDAVSCLOISZ-ZIAGYGMSSA-N 281.396 3.502 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccc([C@H](C)O)cc1 850426216 BIUDNKKOICJWIC-QGTPRVQTSA-N 273.420 3.964 30 20 CHED COCC[C@H](OC(=O)CC1(C#N)CCCCC1)C(C)(C)C 851009998 FZXXQEOKAWYWQN-AWEZNQCLSA-N 295.423 3.845 30 20 CHED N#CC[C@H]1CCCN(C(=O)/C(F)=C\C2CCCCC2)C1 855256560 OAIIEUGNYHCODC-XDPMZMSMSA-N 278.371 3.572 30 20 CHED C(=NNc1cnc2ccccc2n1)[C@@H]1C[C@H]1c1ccccc1 755690012 XVMLOQNXMLOFJS-GJZGRUSLSA-N 288.354 3.831 30 20 CHED CCn1nccc1/C=C\C(=O)c1cc2ccc(C)cc2o1 754829893 NMDOXLRZUFXTBE-SREVYHEPSA-N 280.327 3.854 30 20 CHED CCc1ncc(C=NNc2cc(C)cc(C)c2)s1 752164253 QUKDARREBCZVJG-UHFFFAOYSA-N 259.378 3.768 30 20 CHED C/C(=C\c1ccccc1)CN(C)C(=O)C#Cc1ccccc1 756774745 QOPSZQJQVHSGCY-BMRADRMJSA-N 289.378 3.600 30 20 CHED Cc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1 921266160 KACVSDFRMXLEKW-LCYFTJDESA-N 268.287 3.793 30 20 CHED COc1ccc(C=NN2CCCC[C@@H]2C)cc1OC(F)F 853381178 XWBLKENDLOTASN-NSHDSACASA-N 298.333 3.505 30 20 CHED c1ccc2c(c1)OC1(CCC1)CC2=NO[C@@H]1CCCCO1 755813780 INMJIANZKAUOHQ-MRXNPFEDSA-N 287.359 3.639 30 20 CHED Cc1nn(-c2ccccc2)c(Cl)c1CON=CC1CC1 853735724 YTLQRMHTFCYBOR-UHFFFAOYSA-N 289.766 3.747 30 20 CHED C#C[C@H](CC)NC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 753244227 YZRLTFFMQPFFTG-DZGCQCFKSA-N 298.386 3.937 30 20 CHED C[C@@H]1CN(CCCCC2(C#N)CCC2)CC2(CCCC2)O1 930827849 XBBZRZAKDOBZCL-MRXNPFEDSA-N 290.451 3.884 30 20 CHED CC(C)CCO[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 931088399 HCNNHGMHAGKELS-QGZVFWFLSA-N 292.467 3.988 30 20 CHED CCOc1ccc(/C=C2\CCc3scnc3C2=O)cc1 863196921 AHXBUZAMIYNSLH-FMIVXFBMSA-N 285.368 3.754 30 20 CHED Clc1ccc(NN=C2C[C@@H]3CCCc4cccc2c43)nn1 763339603 RKZKVJKSOYRZLD-NSHDSACASA-N 298.777 3.770 30 20 CHED COc1cc(F)ccc1NN=C1CCCCCC1 761896620 PKNFYYFIBSWXSD-UHFFFAOYSA-N 250.317 3.956 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2cccc(OCC)c2)c1 766399848 QNCUFHHSOMYQCJ-UHFFFAOYSA-N 294.354 3.735 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc([C@H](O)C(F)(F)F)cc2)C1 866417368 OSYRJTVJGOUWSE-HONMWMINSA-N 298.308 3.777 30 20 CHED N#Cc1ccc([C@H](O)CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 763234714 SNMWSLSWQJUZIL-NXWXRZEISA-N 298.430 3.540 30 20 CHED C#Cc1ccc(NC(=O)N[C@@H](CC)c2nc(C)cs2)cc1 934934994 ZREZWYWGNDPHGX-AWEZNQCLSA-N 299.399 3.706 30 20 CHED C[C@@H](OC(=O)CCc1ccc(Cl)c(F)c1)C(C)(C)C#N 860623876 TVOYLWFSNLLODJ-SNVBAGLBSA-N 297.757 3.893 30 20 CHED COc1cccc(C)c1/C=C1/CCc2scnc2C1=O 863198815 UIYTXVQZXOOIKZ-FLIBITNWSA-N 285.368 3.673 30 20 CHED FC(F)(F)C(F)(F)CNN=Cc1cc2ccccc2o1 863179700 OYPYESGIKUQCMZ-UHFFFAOYSA-N 292.207 3.554 30 20 CHED CO[C@H](C)C(C)=NNc1nc(Cl)c(Cl)cc1Cl 763139395 FQJZJVDFODNZTR-ZCFIWIBFSA-N 296.585 3.865 30 20 CHED C#CCOc1ccccc1CN[C@H](c1ccccn1)C(C)C 866296415 BTMCMVWPACOPKR-IBGZPJMESA-N 294.398 3.581 30 20 CHED CCCCOc1ccc(C=NOCC)cc1OCC 767468833 GSGXQOCRRBVAMP-UHFFFAOYSA-N 265.353 3.635 30 20 CHED CC#CCCCC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C 767092191 VGNVTJGJWYEBMT-UHFFFAOYSA-N 295.722 3.656 30 20 CHED C/C(=C\C1CCC(C)CC1)C(=O)N1CCC[C@@H](CC#N)C1 869230705 JULHKRJMLYGQRE-MADVNUIYSA-N 288.435 3.911 30 20 CHED C=CC[C@H]1N(C(=O)CC2CC(OCC)C2)CCCC1(C)C 767228098 LMVPILQZNXWWSZ-UYSNPLJNSA-N 293.451 3.785 30 20 CHED Cc1cc(C=NNc2ccccc2Cl)ccc1C#N 766431207 OHUOSKASDXLROA-UHFFFAOYSA-N 269.735 3.966 30 20 CHED CCOc1ccc(/C=N/[C@H]2COc3ccc(C)cc32)c(O)c1 763098379 WQVSEIRETYNPOB-JJLFXSABSA-N 297.354 3.652 30 20 CHED Cc1cc(C=NNc2ccc(C(=O)O)cc2)c(C)s1 760217688 HXVFGYSORBLJAP-UHFFFAOYSA-N 274.345 3.509 30 20 CHED CC[C@@H](NCCSC(F)(F)F)c1ccc(C#N)cc1 774132565 BSZNFVXJHWGSAJ-GFCCVEGCSA-N 288.338 3.852 30 20 CHED C#Cc1cccc(NC(=S)NCC(C(C)C)C(C)C)c1 773168154 LJMFGSFWOAFEFR-UHFFFAOYSA-N 288.460 3.883 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1cccc(C#N)c1F 774990957 DSZVSJNOVJAVNH-LLVKDONJSA-N 277.339 3.813 30 20 CHED C#CCCCCNC(=O)c1cccc2c1ccn2CC(C)C 772354391 JCOXSPZFMKLORM-UHFFFAOYSA-N 296.414 3.831 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 875537190 WFBANWJXSPLGKG-NUXNZHGMSA-N 298.386 3.742 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=Nn1c(C)nc2ccccc2c1=O 773186746 JTHSUUPAIRLJIF-CJNGLKHVSA-N 295.386 3.531 30 20 CHED C=CC[C@@H](NC(=O)[C@H]1CCCC1(C)C)c1ccncc1 772065982 SZDUDTOGHQCEPY-HUUCEWRRSA-N 272.392 3.641 30 20 CHED C#CCCCCNC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 777590278 DENWLJWEQWSOLX-SFHVURJKSA-N 298.430 3.900 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C\c1cccc(F)c1 778985722 VGMVYRPHWARJDX-HJWRWDBZSA-N 299.345 3.689 30 20 CHED C=CCC[C@@H](C(=O)N[C@H](C)CCSC)c1ccccc1 777681382 MLMYBOYDXOAKRW-GDBMZVCRSA-N 291.460 3.994 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2C)cc1 772960963 XDAAJHQZHUXGSU-GRDNDAEWSA-N 257.377 3.538 30 20 CHED C[C@@H](C[C@H]1CCOC1)Nc1cccc(OCCCC#N)c1 776842096 TXHWSRIXZWSDAV-LSDHHAIUSA-N 288.391 3.596 30 20 CHED COc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1C1CC1 774154554 BDCKSUGITKTRPH-NSHDSACASA-N 287.359 3.668 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1cccc(F)c1F 776268913 WHAIHOZQWSWLIS-GQCTYLIASA-N 279.673 3.909 30 20 CHED CCCCCCCc1nc(Cn2cnc3ccccc32)no1 771217426 TUOUTRZQMRULJP-UHFFFAOYSA-N 298.390 3.981 30 20 CHED N#Cc1ccc(F)c(NC(=O)c2sccc2C2CC2)c1 1129715245 HHVLMBDMMNOGRV-UHFFFAOYSA-N 286.331 3.889 30 20 CHED C=CC(C)(C)CC(=O)OC[C@H]1CCO[C@@H]1c1ccccc1 1122738639 VDDWAKVKDPJVMD-NVXWUHKLSA-N 288.387 3.910 30 20 CHED CC[C@@H]1CCCN1c1nccc(Oc2cccc(C#N)c2)n1 881910887 FIZGRYTUPYPTAI-CQSZACIVSA-N 294.358 3.519 30 20 CHED CCSc1ccc(Cl)cc1C(=O)O[C@@H](C#N)CC 781191601 CSDCIBMKJYYQDM-SNVBAGLBSA-N 283.780 3.911 30 20 CHED C=C1CCC(C(=O)Nc2sc(CC)cc2C#N)CC1 888352146 IZMSMDBHIILRAU-UHFFFAOYSA-N 274.389 3.867 30 20 CHED CC(C)(C)C1CCC(=CC(=O)N2CC[C@](F)(C#N)C2)CC1 786234952 AYDMOUHOJSZASB-JRZJBTRGSA-N 292.398 3.613 30 20 CHED CC(C)c1ncc(C=NNC2CCCCC2)s1 786042399 UWGAPDLOQPLVPP-UHFFFAOYSA-N 251.399 3.523 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1F 782300511 FZNJDNSRVRZYJX-WEVVVXLNSA-N 295.313 3.992 30 20 CHED CCCCCCCCCC(=O)NCC1(C)CCN(C)CC1 780742100 BXAIUULTJRQBRJ-UHFFFAOYSA-N 296.499 3.975 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H]2CCCC[C@H]2C)n1 783850681 WABRSQHKCBEVLK-MWLCHTKSSA-N 266.776 3.662 30 20 CHED CC(=C/c1cccc([N+](=O)[O-])c1)/C=C/C(=O)c1ccncc1 787168925 ZRFVEHDGKCSZEL-YMDBXOBFSA-N 294.310 3.832 30 20 CHED C=C(Cl)COC(=O)C[C@H](C)c1c[nH]c2ccccc12 787215795 MENGKPKLKHTTHO-JTQLQIEISA-N 277.751 3.957 30 20 CHED C#CCCCCCC(=O)OCc1ccccc1OC(F)F 780256325 FJUYVGDZBNYDPI-UHFFFAOYSA-N 296.313 3.915 30 20 CHED C#CCC1(C(=O)N(C)[C@H](CC)CSC)CCCCC1 788459545 AYNCLKHVSXINHT-CQSZACIVSA-N 281.465 3.560 30 20 CHED C#CCC1(C(=O)NCc2ccc(Cl)s2)CCCCC1 788157684 QSPCYAAWJQUBLD-UHFFFAOYSA-N 295.835 3.992 30 20 CHED CC(=NNc1ccnc(F)c1)c1ccc2ccccc2c1O 781134168 UQOLJIYODDKUAJ-UHFFFAOYSA-N 295.317 3.916 30 20 CHED C#Cc1cncc(-c2noc(/C=C(/C)C(C)(C)C)n2)c1 896557275 SZUGUXKLLZAAMX-XFFZJAGNSA-N 267.332 3.562 30 20 CHED C=C(CC)CN1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 799360403 MIGPVAVVKVPHNO-OAHLLOKOSA-N 296.455 3.579 30 20 CHED CC(=NNc1ncccc1C)c1ccc(F)cc1F 790185563 FZVSPMIKKBBNPR-UHFFFAOYSA-N 261.275 3.504 30 20 CHED FC(F)c1ccc(C=NNc2ncncc2Cl)cc1 794536582 RAIPMSNQEGSHJL-UHFFFAOYSA-N 282.681 3.514 30 20 CHED Fc1cccnc1NN=Cc1cnc(C2CCCC2)s1 794989701 AWDBMXWEAHJJNV-UHFFFAOYSA-N 290.367 3.781 30 20 CHED COc1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)c(C)c1 899379961 DMOMNFPIBZXIAW-RMKNXTFCSA-N 296.370 3.821 30 20 CHED CC[C@H](C)NN=C(C)c1ccc(Cl)c(Cl)c1O 790180847 BBTFHGLSAAWQSD-ZETCQYMHSA-N 275.179 3.811 30 20 CHED C=CC[C@H](CC)NCc1ccc(OCOCC)cc1 798501007 DLSHVEDSTKGJAQ-HNNXBMFYSA-N 263.381 3.504 30 20 CHED CCC(=NNc1cncc(Cl)n1)c1cccc(C)c1 794891904 XHUXHZDZUTXJPL-UHFFFAOYSA-N 274.755 3.665 30 20 CHED Fc1cccc2c1CCC2=NNc1cccc(Cl)n1 793174004 GVCRGKGPYMAXIW-UHFFFAOYSA-N 275.714 3.637 30 20 CHED CC[C@H](C)CON=C(C)c1cc([N+](=O)[O-])ccc1C 793160758 XGZYNDCYSWWCTC-JTQLQIEISA-N 264.325 3.690 30 20 CHED C#C[C@H](CCC)NC(=O)N(CCC)[C@H]1CCc2ccccc21 791069426 KWSVTHGYGOYNIV-AEFFLSMTSA-N 298.430 3.897 30 20 CHED Cc1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2)cc1C#N 799319663 NJIDPJICGIOPAG-CYBMUJFWSA-N 296.345 3.539 30 20 CHED C#Cc1cncc(C(=O)Nc2cccc(Cl)c2Cl)c1 798242166 CQHCXRVVOFPABT-UHFFFAOYSA-N 291.137 3.622 30 20 CHED C=CC[C@H](C)NC(=S)Nc1cc(Cl)ccc1OC 792680154 CJEYQHQJYPFFII-VIFPVBQESA-N 284.812 3.600 30 20 CHED CCOc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1Cl 799721498 JRIKVEHIIBMWLI-GHMZBOCLSA-N 264.756 3.843 30 20 CHED CC1(C(=O)Nc2ccc(C#N)c(F)c2)CCCCCC1 1527517052 UDAQJQZGTFCXMZ-UHFFFAOYSA-N 274.339 3.996 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 1307689376 BGPCEJBUZGFXIB-HUUCEWRRSA-N 294.236 3.896 30 20 CHED CC(=O)c1cccc(COc2cc(Cl)cc(C#N)c2)c1 1166278774 JDBBDPUNHHLDLN-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CC(C)C[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 1168146819 STTIVKQXBHDUOY-AWEZNQCLSA-N 274.383 3.955 30 20 CHED N#Cc1ccc(F)c(CNc2ccc(F)c(F)c2F)c1 20044857 YOBWQHLVCITQQM-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C=C(C)CN(CC)C(=O)C(F)(F)c1ccccc1C 1319830316 KWECPUTYCXWSQL-UHFFFAOYSA-N 267.319 3.511 30 20 CHED Cc1coc(C(=O)OCc2ccc(Cl)cc2C#N)c1C 1323656513 MOLJTXYGUWUWFO-UHFFFAOYSA-N 289.718 3.779 30 20 CHED CN(C)c1ncccc1/C=C/C(=O)c1coc2ccccc12 1322875068 FMWZTBIJXASTJH-MDZDMXLPSA-N 292.338 3.790 30 20 CHED Cc1coc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)c1C 1329653231 BRIDFMMEZFQKBD-UHFFFAOYSA-N 294.354 3.967 30 20 CHED C[C@@H](c1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C 1328429165 KVGFMWOVVCFMND-JTQLQIEISA-N 255.321 3.758 30 20 CHED C=CCCCOC(=O)c1cc(Br)cs1 735532166 KSZFFQCQMVOTQU-UHFFFAOYSA-N 275.167 3.634 30 20 CHED N#Cc1ccc(NC[C@@H]2Cc3ccccc3O2)cc1Cl 61846103 GTJCPNMJNCBEAY-AWEZNQCLSA-N 284.746 3.627 30 20 CHED C#C[C@H](C)N(C)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 1320929309 AICCSBCDZYGASJ-HNNXBMFYSA-N 283.415 3.712 30 20 CHED CC(C)c1ccc(C2(C(=O)NC[C@H](C)C#N)CCC2)cc1 1327640300 GTRLGMKCMKXKJI-CQSZACIVSA-N 284.403 3.508 30 20 CHED C=C(Br)CN1CCCC(CC)(CC)C1 690552866 VKTUDURGNHCFJK-UHFFFAOYSA-N 260.219 3.797 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)Cc2cccs2)n1 70140892 HIMIMPKBZBDGJI-GFCCVEGCSA-N 271.389 3.675 30 20 CHED Cc1cnc(COc2c(C)cc(C#N)cc2C)s1 771659112 AEKPJYGBSSSXNQ-UHFFFAOYSA-N 258.346 3.519 30 20 CHED C=C(C)CCC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 1335888433 LPYPLNHHAFRQEC-UHFFFAOYSA-N 282.387 3.717 30 20 CHED CC(C)(C#N)c1ccc(-c2nnc(CC(F)(F)F)o2)cc1 1331908581 HKPUGMSNODNUQQ-UHFFFAOYSA-N 295.264 3.643 30 20 CHED C=C(C)CCC(=O)Nc1cc(C)c(OC)cc1Cl 1339012177 PXVAKCLJPBWDTB-UHFFFAOYSA-N 267.756 3.952 30 20 CHED CC[C@H](C#N)N(CC)C(=O)[C@@H]1CCc2c(Cl)cccc21 1262813085 OJZXEMOUSBEKMD-BXUZGUMPSA-N 290.794 3.520 30 20 CHED N#CCc1cccc(N[C@H]2C[C@H](c3cccc(F)c3)C2)n1 1344478992 NBLDYPRTKYORGR-SAZUREKKSA-N 281.334 3.645 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2ccc(F)cc2)c1 1193152365 YYGJQBKUVIZWHM-GFCCVEGCSA-N 297.333 3.889 30 20 CHED Cc1c(C#N)c(NC(=O)[C@@H]2CCC[C@@H](F)C2)n2ccccc12 1262090450 QRKTYAZTMABZMA-CHWSQXEVSA-N 299.349 3.586 30 20 CHED C=C(C)CCC(=O)N(Cc1cccc(F)c1)C1CC1 1346559761 FMFPANNUAVDEJV-UHFFFAOYSA-N 261.340 3.673 30 20 CHED N#Cc1ccnc(/C=C/c2csc(Br)c2)c1 1344739604 FBJGMOLLDYABOB-OWOJBTEDSA-N 291.173 3.948 30 20 CHED Cc1cccc(OC(=O)C2(c3cccc(C#N)c3)CC2)c1F 1347151015 CODWHNOPVWSPEG-UHFFFAOYSA-N 295.313 3.643 30 20 CHED N#Cc1sccc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1351146787 UCSPAZMNHLJOOD-JHJVBQTASA-N 288.416 3.708 30 20 CHED N#Cc1ccc(F)c(C(=O)Nc2cc(F)cc(Cl)c2)c1 1516096159 ICBMKVHFCBRLBO-UHFFFAOYSA-N 292.672 3.742 30 20 CHED Cc1cc(F)c(COC(=O)c2ccc(C#N)cc2)cc1F 1521400969 NYARTZQLCUGJNI-UHFFFAOYSA-N 287.265 3.502 30 20 CHED N#Cc1cccc(SCC(=O)[C@@H](C#N)c2ccccc2)c1 1458977998 IIECTVCEVQHKBG-INIZCTEOSA-N 292.363 3.527 30 20 CHED CSc1cc(C(=O)Nc2ccc(C#N)c(F)c2)c(C)o1 1460677202 VNWOBEAZRRXJFR-UHFFFAOYSA-N 290.319 3.573 30 20 CHED C=C(C)c1cccc(NC(=O)/C=C\c2ccc(C(=O)O)o2)c1 1602772469 ZRVLAJMEBDFAHS-CLFYSBASSA-N 297.310 3.663 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Nc2cc(C#N)ccc2F)c1 1466788081 APXYLIJSUMNPRN-UHFFFAOYSA-N 297.333 3.983 30 20 CHED C=CCCCCN1CCC[C@@H]1c1nc(C(=O)O)c(C)s1 1602870699 PYNZOZNAOWRMIJ-GFCCVEGCSA-N 294.420 3.643 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1Cc1ccc(C#N)cc1OC 1473245470 RVOJKZYVTAIQTC-YOEHRIQHSA-N 286.419 3.967 30 20 CHED C=C(Cl)CNC(=O)NCC(C)(C)c1ccc(C)cc1C 1470328636 NFRSCNMLOAYYCF-UHFFFAOYSA-N 294.826 3.633 30 20 CHED CC(C)N1CCCC[C@H]1CN1CCCc2cc(C#N)ccc21 1618202968 NTALDOQAFPKPRP-SFHVURJKSA-N 297.446 3.574 30 20 CHED Cc1cc(Sc2nc(C#N)c(Cl)s2)ccc1C#N 1612516143 DYHAKMNTOAJUOT-UHFFFAOYSA-N 291.788 3.999 30 20 CHED CCc1nc(C#N)cc(Nc2cccc(OCC(C)C)c2)n1 1559075192 SITTXEWPYDAMDH-UHFFFAOYSA-N 296.374 3.689 30 20 CHED N#Cc1cncnc1SCc1cccc2ccccc12 1559083675 QQRTUKSGQRNGAO-UHFFFAOYSA-N 277.352 3.794 30 20 CHED N#Cc1cc(NC(=O)CC2=CCCCC2)ccc1F 106650139 YZCFFIBKWAXGOO-UHFFFAOYSA-N 258.296 3.526 30 20 CHED C[C@@H]1C[C@H](N[C@H](C)CC#N)C[C@@H](c2ccccc2)C1 1657903470 OFJJIBMSXJCQTM-FSDCSDTHSA-N 256.393 3.851 30 20 CHED Cc1cc(N[C@H]2CCC[C@@H](C(C)C)C2)ncc1C#N 1655112343 XDVMZQIVSOJEIO-HIFRSBDPSA-N 257.381 3.888 30 20 CHED CSCc1cnc(CNc2cc(F)cc(C#N)c2)s1 1658434012 QCSCGZJSHNTLSX-UHFFFAOYSA-N 293.392 3.629 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2csc(C#N)c2)C1 1597593369 USLRWJCMEHTRFQ-LLVKDONJSA-N 276.405 3.566 30 20 CHED CCc1ccc(N[C@@H](C(=O)O)c2cccc(C#N)c2)cc1C 1597552368 WMRZREHUABYPTN-QGZVFWFLSA-N 294.354 3.667 30 20 CHED C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@@H](C#N)C1 1678767142 MVGZFPVZFHVUCH-HOCLYGCPSA-N 291.439 3.681 30 20 CHED CCC(=NNc1ccc(F)c(C(=O)O)c1)c1cccs1 1776061702 KGGBMHRGTABJLN-UHFFFAOYSA-N 292.335 3.812 30 20 CHED Cc1ccccc1C(=O)/C=C/c1csc(C(=O)O)c1 1777465322 PSRPWMBQWKMBDV-VOTSOKGWSA-N 272.325 3.651 30 20 CHED C=C(C)CNC(=O)[C@H](C)c1ccc2ccccc2c1 161215285 GZXDZQUJAUMIGY-CYBMUJFWSA-N 253.345 3.636 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cccnc2)cc1 158506430 OJLFZVDMAJXCME-CABCVRRESA-N 280.371 3.505 30 20 CHED COC(=O)c1sccc1CSc1cccc(C#N)c1 158828967 QAODCIRHSNFEPQ-UHFFFAOYSA-N 289.381 3.699 30 20 CHED CCCCC/N=C(/N)Nc1ccccc1OC(F)(F)F 160589449 SLBXMQAWJDMBFH-UHFFFAOYSA-N 289.301 3.502 30 20 CHED N#Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 6225235 CBUYNNDGXRWEFO-BJMVGYQFSA-N 282.730 3.864 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(Sc2ccncc2)cc1 153247790 DIOOBWFPYSVFCG-UHFFFAOYSA-N 297.383 3.721 30 20 CHED Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 153477704 MYGAQCPOXFXXOS-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CCn1c(-c2csc(C3CC3)n2)nc2cc(C#N)ccc21 155114385 PBBLHKGGNSBAOH-UHFFFAOYSA-N 294.383 3.929 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(Cl)c1Cl 156919116 KESABIWPFRQOML-QMMMGPOBSA-N 286.162 3.807 30 20 CHED CCS[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1C 233847430 PTRDLRZCBDGDJR-CVEARBPZSA-N 274.433 3.631 30 20 CHED COc1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)ccc1C#N 234935482 HNSKTZGLXQHWML-CZUORRHYSA-N 272.392 3.577 30 20 CHED C=CCCCN1CCC(OCc2ccccc2)CC1 265480497 SHMULQPPPJAFEQ-UHFFFAOYSA-N 259.393 3.634 30 20 CHED Cc1cc([C@H](C)NC(=O)C2(C#N)CCCC2)c(C)s1 44316824 STVZZYRHURUJSF-NSHDSACASA-N 276.405 3.626 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)cc1)c1cccs1 48443776 MVZRVKUVXCPAHB-ZDUSSCGKSA-N 270.357 3.501 30 20 CHED Cc1ccc(CC(=O)Nc2ccc(Cl)c(C#N)c2)cc1 48824321 HAMSSKGVKGUHFN-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CSCC1CCC(NCc2ccc(C#N)s2)CC1 295086228 QZBUEZMEQFQKIU-UHFFFAOYSA-N 280.462 3.631 30 20 CHED C=CCCCN[C@H](C)c1cnn(Cc2ccccc2)c1 348373599 IBXRZJRQRLDLIH-OAHLLOKOSA-N 269.392 3.548 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 610549522 PNDJHBQLADAGOW-SNVBAGLBSA-N 276.767 3.976 30 20 CHED C=CCC[C@@H](CO)NC1CC(c2cccc(Cl)c2)C1 321275627 FKTYZDCNSDVCSD-SIWZUTFBSA-N 279.811 3.503 30 20 CHED C[C@H]1CCC[C@@H](N(C)c2ncc(C#N)cc2Cl)C1 339138652 XTWIRVNAJAOTAQ-CMPLNLGQSA-N 263.772 3.622 30 20 CHED Cc1ccc(C#N)cc1NCc1nc(C2CC2)cs1 342432346 IEXRPOHRMMMIHK-UHFFFAOYSA-N 269.373 3.813 30 20 CHED C#CCN(Cc1c(Cl)cccc1Cl)C1CC1 746133292 IVZQJZMWSRPUFB-UHFFFAOYSA-N 254.160 3.591 30 20 CHED COc1ccsc1C(C)=NOCc1ccccc1 769773808 BZESDXDSCZTSOP-UHFFFAOYSA-N 261.346 3.698 30 20 CHED O=C1/C(=C/c2ccccc2)CCc2c(O)cccc21 584612895 SGBVYCVSWPQDFL-ACCUITESSA-N 250.297 3.605 30 20 CHED Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(C#N)cc2)c1 5474550 BNWBAGWBFVCEMQ-UHFFFAOYSA-N 294.354 3.501 30 20 CHED C=C(Br)CNc1ccc(C#N)c(Cl)c1 37681232 ZYHQXVOZHJEYSE-UHFFFAOYSA-N 271.545 3.532 30 20 CHED CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 38070535 LQFHQXDQOJACHV-CYBMUJFWSA-N 250.345 3.896 30 20 CHED C=CCn1c(CSCc2ccccc2F)n[nH]c1=S 38536759 LQXSQSRAXNSDDM-UHFFFAOYSA-N 295.408 3.699 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C[C@@H](C)c2ccccc2)n1 41521804 QQSCGQRJELOZJV-RISCZKNCSA-N 284.384 3.822 30 20 CHED C=CCN(CC=C)C(=O)CCCOc1ccccc1Cl 50310588 QIHUNOXMYKQRTF-UHFFFAOYSA-N 293.794 3.700 30 20 CHED Cc1cc(C)c(NC(=O)c2sccc2C#N)c(C)c1 52027782 IFYNIANOHFTAMV-UHFFFAOYSA-N 270.357 3.797 30 20 CHED C[C@@H](c1ccco1)N(C(=O)c1ccc(C#N)cc1)C1CC1 56181524 FNYHNIAMTXNATQ-LBPRGKRZSA-N 280.327 3.517 30 20 CHED C=CCN(C(=O)c1ccc(C)c(F)c1)c1ccccc1 58505098 GKNKQFAMSJXGBZ-UHFFFAOYSA-N 269.319 3.967 30 20 CHED N#CCCN1CCC(c2cccc3ccccc23)CC1 58525116 LTCVTCNMQOFBBO-UHFFFAOYSA-N 264.372 3.933 30 20 CHED CC(C)N(CCOc1ccccc1)Cc1ccc(C#N)cc1 60208215 TUUWTYCPJQDQLM-UHFFFAOYSA-N 294.398 3.848 30 20 CHED CCn1nc(C)c(/C=C/C(=O)c2ccc(F)c(F)c2)c1C 60370911 OOWLIJHASBCRNZ-SOFGYWHQSA-N 290.313 3.694 30 20 CHED N#Cc1cnc2ccccc2c1N1CCc2ccccc2C1 64438617 CZVGLFMQKZWGBH-UHFFFAOYSA-N 285.350 3.669 30 20 CHED C=CCN(CC=C)Cc1cc(=O)oc2cc(CC)ccc12 72590780 YEXJQOVRIRTANZ-UHFFFAOYSA-N 283.371 3.529 30 20 CHED C[C@H]1CN(Cc2ccccc2C#N)[C@H](c2ccccc2)CO1 76148205 LSKNQZIEYAGZSO-KXBFYZLASA-N 292.382 3.520 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(CC#N)cc2)C1 77672607 DZGYVMBGKWJFHF-CJNGLKHVSA-N 285.391 3.843 30 20 CHED Cc1cc(C)c(C(=O)CSc2cc(C#N)ccn2)c(C)c1 77905636 MJZHBHYBMSNHRU-UHFFFAOYSA-N 296.395 3.854 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccc(CC#N)cc1 81603911 LEGDUDAFRMUULB-STQMWFEESA-N 285.391 3.699 30 20 CHED C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)c2ccccc21 84078322 PQOBLJRJHALODW-LLVKDONJSA-N 282.368 3.774 30 20 CHED CCc1ccccc1CNc1ccc(F)cc1C#N 84203531 WGGNXDVQWXMEPF-UHFFFAOYSA-N 254.308 3.872 30 20 CHED CC(C)(C#N)CCOc1ccc(F)cc1Br 87592235 JMNUYJPXHFXSIT-UHFFFAOYSA-N 286.144 3.907 30 20 CHED N#Cc1ccc2nc(NCc3cc(F)ccc3F)ccc2c1 92895405 PMLBCWLZNAPSMF-UHFFFAOYSA-N 295.292 3.997 30 20 CHED CCN(Cc1ccoc1)Cc1cccc(OCCCC#N)c1 92935839 VZTITMOADLTPPZ-UHFFFAOYSA-N 298.386 3.984 30 20 CHED CCCOc1cccc(CN(CC#N)C2CCCC2)c1 93563332 GTOKFAPMFVWPOV-UHFFFAOYSA-N 272.392 3.744 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)cc2C)cc1O 97993502 KGNFRDQFMKQZFW-YVMONPNESA-N 282.339 3.914 30 20 CHED C=C(Cl)CN1CCC(c2nc3ccccc3o2)CC1 102685741 CSCYHDNIDXLSCV-UHFFFAOYSA-N 276.767 3.760 30 20 CHED CCN(CCCCCOC)[C@H](C)c1ccc(C#N)cc1 103226876 XWPAFZILILSYOV-OAHLLOKOSA-N 274.408 3.758 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)c2csc(CC)n2)c1 111717829 POUZKUWBXLIXOS-NSHDSACASA-N 299.399 3.570 30 20 CHED C#CCCOc1ccc(CN[C@H]2CCCc3occc32)cc1 113320843 ZCLCVTNPIQTOQW-SFHVURJKSA-N 295.382 3.849 30 20 CHED C=CC[C@H](C)NC(=O)C(C)(C)c1ccccc1Cl 116849727 SRELKFZHZOJZOZ-NSHDSACASA-N 265.784 3.698 30 20 CHED CCCC[C@@H](CC)CC(=O)N[C@](C)(C#N)C(C)C 117247472 YDJDGZFXOQULOU-UKRRQHHQSA-N 252.402 3.647 30 20 CHED C=CCCCSc1nnc(NCc2ccco2)s1 117549161 AZDKQICDWQWWHI-UHFFFAOYSA-N 281.406 3.802 30 20 CHED C=CCCCSCc1nc(-c2cccs2)no1 117943560 MZLYQLMKCHBCIS-UHFFFAOYSA-N 266.391 3.998 30 20 CHED C=CCCCS[C@@H](C)C(=O)Nc1cc(F)ccc1F 117944445 WVMCCAZCHMYPCA-JTQLQIEISA-N 285.359 3.991 30 20 CHED C#CCCCCC(=O)NCCCc1ccc(Cl)cc1 119769480 MMDJCXOALLAXTA-UHFFFAOYSA-N 277.795 3.582 30 20 CHED Cc1ccc(C#N)cc1OCc1nc(-c2ccsc2)no1 122998415 BFOQSOSYAUARAT-UHFFFAOYSA-N 297.339 3.557 30 20 CHED C/C=C(\C)C(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 127886503 PWLQBBRWVCVRLX-VALBVYRLSA-N 298.386 3.814 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccccc1)c1ccc(F)cc1 128555237 JRSCYVVSQKDKMN-RBUKOAKNSA-N 299.389 3.832 30 20 CHED N#Cc1cccc(CN2CCC[C@H]2c2ccc(O)cc2)c1 138870280 QBTBRRROUUTVQP-SFHVURJKSA-N 278.355 3.601 30 20 CHED N#CCOc1cc(F)ccc1NCc1ccc(Cl)cc1 150770550 UXROZNSJMBOXIX-UHFFFAOYSA-N 290.725 3.994 30 20 CHED C=CCCC(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 151882268 MILWMOXYWCXIPE-UHFFFAOYSA-N 283.375 3.702 30 20 CHED C[C@H]1CSC(S[C@H](C)c2ccc(C#N)cc2)=N1 155379687 WJFAOMPADMMZNV-VHSXEESVSA-N 262.403 3.844 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(CN(C)C)c1 156705256 BZYUKKYSQIHEFE-UHFFFAOYSA-N 288.435 3.567 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(F)c(F)c(F)c1 156785849 QLPWMDIOMDOSRE-UHFFFAOYSA-N 285.309 3.922 30 20 CHED COc1cc(F)cc(NC(=O)Nc2ccc(CC#N)cc2)c1 157356246 STMWSFILSRQWKR-UHFFFAOYSA-N 299.305 3.544 30 20 CHED C=CC[C@H](C)N[C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C 162639726 DOSFITGSUXNMRL-ZNMIVQPWSA-N 296.455 3.719 30 20 CHED C=C(C)COCCN[C@@H]1CC[C@H](C)c2ccccc21 163518778 HJQVFIFJWAAENF-WMLDXEAASA-N 259.393 3.807 30 20 CHED N#Cc1ncccc1SCc1ccc(Cl)cc1 165991156 SGHXRDBHPVHATP-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 170946586 PCSIEVKKLGZUDG-CABZTGNLSA-N 299.201 3.590 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1cccc(CC#N)c1 171947483 DWRARYIMEZYVQE-UHFFFAOYSA-N 296.414 3.961 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(SC)ccc1Cl 172323682 LSTOPGACOHPMHB-VIFPVBQESA-N 269.797 3.756 30 20 CHED CCCCCC[C@H](C)C(=O)N(CC)C[C@@H](C)C#N 173123818 HFRKQOYTXRRRAF-KBPBESRZSA-N 252.402 3.601 30 20 CHED CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1F 174061905 FUFFAFOFLWPWRR-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED C=C(C)CCOC(=O)c1cccn1Cc1cccs1 174806938 IZLUDZKJMLPWKU-UHFFFAOYSA-N 275.373 3.721 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)s1 175752211 WYFAITANQSBQQL-NSHDSACASA-N 271.341 3.846 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1OC)C2 176939012 LWIUXCIQRYDOQE-UVTDQMKNSA-N 280.323 3.526 30 20 CHED CC(C)(CNCc1ccc(C#N)s1)Cc1ccccc1 176971752 DKJURRYUYDCZKM-UHFFFAOYSA-N 284.428 3.978 30 20 CHED Cc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 177552468 PQNSQABDPCDPKH-CQSZACIVSA-N 266.344 3.898 30 20 CHED N#Cc1csc(CNC2(c3ccccc3F)CC2)c1 177703699 OQSBKRNVQKHRPW-UHFFFAOYSA-N 272.348 3.538 30 20 CHED CC(C)N(C)C(=O)[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 177852063 MTBDUQUSVJYHOX-QWHCGFSZSA-N 290.432 3.608 30 20 CHED N#CCCCCN[C@@H]1CC2(CCC2)Oc2ccccc21 178646667 XPQDWXVTDBPOOM-OAHLLOKOSA-N 270.376 3.716 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C)c2ccccc2)cc1 180413009 RUBSMBJNYKXXSD-CQSZACIVSA-N 266.344 3.614 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 181560761 VSBIPGYZZKTBJO-UHFFFAOYSA-N 285.347 3.745 30 20 CHED CC(C)[C@@H](NCCCSCC#N)c1ccc(F)cc1F 181656539 ZQPZHTBEGRLJPW-OAHLLOKOSA-N 298.402 3.898 30 20 CHED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccncc1 181806656 DYGWXVRIPWUGGN-GUYCJALGSA-N 265.360 3.755 30 20 CHED Cc1nc(CCN[C@@H](C)c2cccc(C#N)c2)sc1C 181909476 GKFJDVBTOCOPLJ-LBPRGKRZSA-N 285.416 3.525 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(-c2ccccc2)[nH]1 187953503 LAIXQZAAOAGHDI-CYBMUJFWSA-N 268.316 3.531 30 20 CHED C=CCN1CCC(N[C@H](CC)c2cccc(F)c2)CC1 187977436 XODGLDCIKOAMFZ-QGZVFWFLSA-N 276.399 3.517 30 20 CHED Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)CC#N 188137767 XJOTVKRIGOPGEU-LBPRGKRZSA-N 299.399 3.552 30 20 CHED C#CCC(C)(C)C(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 188886530 ANCPHOXJSGYCRC-KRWDZBQOSA-N 285.431 3.824 30 20 CHED C=C(Br)CN[C@H]1CCCC[C@H]1SCC 189491181 VBSSNVSYPJZMRO-WDEREUQCSA-N 278.259 3.549 30 20 CHED C#CCCCCC(=O)Nc1cnn(-c2ccc(C)cc2C)c1 190252767 GWENWTVXAHADIT-UHFFFAOYSA-N 295.386 3.621 30 20 CHED COc1ccc2c(c1NCc1cccc(C#N)c1)CCC2 190457561 FVACDGWKMWOFJJ-UHFFFAOYSA-N 278.355 3.668 30 20 CHED C=CC[C@@H](C)[C@H](C)NC[C@@H]1CCO[C@H]1c1ccccc1 191862164 QQVKOIPDNQSVIE-FZCLSBEQSA-N 273.420 3.955 30 20 CHED C#CCCCC(=O)Nc1nc(-c2ccccc2C)cs1 192172816 YVQQAQOMEXYQCI-UHFFFAOYSA-N 284.384 3.861 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)CCc1ccc(C#N)cc1 193022487 NEPXMOGNCCPDER-OAHLLOKOSA-N 298.430 3.966 30 20 CHED CSc1ccc(/C=C/c2ccc(C#N)cn2)cc1 193445804 JVPQJPMKYGBXHX-QHHAFSJGSA-N 252.342 3.846 30 20 CHED Cc1nc(-c2cccs2)sc1C(=O)OC(C)(C)C#N 194484425 ZUVJPZHGMGDLCM-UHFFFAOYSA-N 292.385 3.639 30 20 CHED Cc1ccc(/C=C2/COc3c(F)cc(F)cc3C2=O)s1 195651278 PFJIVIMROPFJQW-WTKPLQERSA-N 292.306 3.993 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1 209085156 DXCLBDLMANXHNN-VURMDHGXSA-N 269.250 3.733 30 20 CHED Cc1ccccc1C[C@@H](C)NCC(C)(C)CCC#N 229690834 SHPQHAXUEZLGPP-OAHLLOKOSA-N 258.409 3.846 30 20 CHED CCc1nnc(SC[C@H](C)CC)c(C#N)c1CC 229736601 MUMZNAYCLVGWJQ-SNVBAGLBSA-N 263.410 3.611 30 20 CHED C#CCCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 229738056 RKMJWZXLDJESAK-UHFFFAOYSA-N 286.253 3.829 30 20 CHED CC1(CNc2ccc(C#N)c(Br)c2)CC1 233048101 XMJUKSIDPDNQPB-UHFFFAOYSA-N 265.154 3.533 30 20 CHED N#CCCCCNCc1ccc(Cl)cc1Cl 237823249 HIBHRJVWTBPXJP-UHFFFAOYSA-N 257.164 3.777 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 245738964 UMZJMGRDECEKHW-ANQUJSFKSA-N 276.424 3.647 30 20 CHED CC(C)n1ccc(CON=Cc2ccc(Cl)cc2)n1 254990531 IAJAGRKGRAERMY-UHFFFAOYSA-N 277.755 3.668 30 20 CHED CCOCc1ccccc1C/N=C\c1cccc(OC)c1O 255336309 UHEYKEUHGWYZRO-UNOMPAQXSA-N 299.370 3.556 30 20 CHED CN(CCC1CCCCC1)C(=O)c1cccc(CC#N)c1 263682063 HEDADBMVLYFLBM-UHFFFAOYSA-N 284.403 3.795 30 20 CHED C=CCCCSc1nnc(-c2ccco2)n1CC 265326161 MUMJABFMTBJBRO-UHFFFAOYSA-N 263.366 3.616 30 20 CHED C=CCCCC(=O)N(CCOC)[C@@H](C)c1ccccc1 267255009 ZZGJZTKPXVCSQA-HNNXBMFYSA-N 275.392 3.579 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(C#N)cs1 267837579 SWUFVUXUFSSRFC-WCQYABFASA-N 276.405 3.661 30 20 CHED CCOc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1 269627037 SCAOOVCTPBXFHF-UHFFFAOYSA-N 292.382 3.736 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C)cc1OCC)OCC 270069642 XAPRHHATOZEANG-HNNXBMFYSA-N 291.391 3.704 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(CC#N)cc1 270416984 SMXFRHZZNHCGMR-KRWDZBQOSA-N 284.403 3.793 30 20 CHED C#CCCCCC(=O)N[C@H](c1ccc(C)cc1)C1CC1 271384239 PADFZSRCPKDOMC-GOSISDBHSA-N 269.388 3.756 30 20 CHED C=CCN(C(=O)Nc1c(F)cc(Cl)cc1F)C1CC1 271693564 KYYDCFSNGWGOMW-UHFFFAOYSA-N 286.709 3.801 30 20 CHED Cc1csc([C@H](C)CNc2snc(Cl)c2C#N)n1 273185716 BTUAFCFYHQDVLY-ZCFIWIBFSA-N 298.824 3.649 30 20 CHED C=CCN(C(=O)c1nc(-c2ccccc2)cs1)C1CC1 273314636 VCNKPARDQNXUOC-UHFFFAOYSA-N 284.384 3.601 30 20 CHED CO[C@H]1CCCC[C@H]1NCc1ccccc1C(C)(C)C#N 275182940 DOQUQXUYNFDGPI-SJORKVTESA-N 286.419 3.535 30 20 CHED CO[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 278672748 JGWKITJLQPZAJW-DAXOMENPSA-N 292.810 3.699 30 20 CHED CCN(CCC#N)C(=O)Nc1ccc(C2CCC2)cc1 278814813 BSALTEVDUKAULG-UHFFFAOYSA-N 271.364 3.722 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)C(C)(C)C#N)c2ccccc21 279453058 FOJRVMWIUKESNU-HUUCEWRRSA-N 270.376 3.537 30 20 CHED CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C(C1CC1)C1CC1 279940568 YTUCDGWLDYXBRP-UHFFFAOYSA-N 296.414 3.748 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(C(C)(C)C)n1 280736204 WJZJBNIPPKMDIY-JSGCOSHPSA-N 294.464 3.511 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1C(F)(F)F 281207193 CMCMEJJDKIGLKD-JTQLQIEISA-N 271.282 3.790 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F 282264242 ADFAMCSKVQCCIV-JTQLQIEISA-N 280.299 3.583 30 20 CHED C[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 284296227 MUPWRUDDWBWLEQ-RHSMWYFYSA-N 298.386 3.910 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C)c(C)c2ncccc12 289305932 VXDWGKVPOVTGNF-QGZVFWFLSA-N 281.359 3.730 30 20 CHED C=CCCCCNC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 293164363 XQVQXDAWARAADX-HNNXBMFYSA-N 287.407 3.530 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2)[C@@H]1c1ccncc1 293839931 HBPFFKYOCRWOIK-QGZVFWFLSA-N 277.371 3.536 30 20 CHED CC(C)C[C@@H](C)OC(=O)N(CCC#N)Cc1ccco1 295693800 DQUSBNIBSUHDJA-CYBMUJFWSA-N 278.352 3.566 30 20 CHED C[C@@H](CCC#N)SCc1ccc([N+](=O)[O-])cc1 298470429 UCCASBKNYMEWHO-JTQLQIEISA-N 250.323 3.520 30 20 CHED C[C@H](CCC#N)Sc1nc2ccc([N+](=O)[O-])cc2s1 298480863 UQFCLEXXAOSVLU-MRVPVSSYSA-N 293.373 3.989 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1C 299305784 LJCCLNCBMKNQFM-NSHDSACASA-N 267.756 3.568 30 20 CHED C(/C=C\c1ccccc1)=NN=c1cc[nH]c2ccccc12 299808231 DYCOFFMFJIBMDT-ZZSPJGJPSA-N 273.339 3.768 30 20 CHED N#Cc1nc(NCCc2ccc(Cl)s2)ccc1Cl 301168274 ILYUDGYLMHUSLU-UHFFFAOYSA-N 298.198 3.976 30 20 CHED CCC(C)(C)c1ccc(Oc2ccc(C#N)nn2)cc1 301936614 ROESLTMRSCRGDA-UHFFFAOYSA-N 267.332 3.828 30 20 CHED CC(=O)c1ccc(C#N)c(N(C)Cc2ccc(C)cc2)c1 302011830 CUENJIAURPDJJX-UHFFFAOYSA-N 278.355 3.706 30 20 CHED CC1(C)C[C@H](Nc2c(C#N)cnc3ccccc23)C(C)(C)O1 302032926 IZFWJXSXMNEHBS-HNNXBMFYSA-N 295.386 3.864 30 20 CHED N#Cc1cc(F)ccc1NC[C@@H]1CCC(F)(F)C1 302212397 QWXYAGNAAOHGJF-SECBINFHSA-N 254.255 3.545 30 20 CHED CCn1ccc(CN(C)c2ccc(C#N)c(Cl)c2)c1 302741576 ZDUUNXDZMXOWRU-UHFFFAOYSA-N 273.767 3.669 30 20 CHED CC[C@@H](O)[C@@H](CC)Nc1ccc(C(F)(F)F)c(C#N)c1 313092075 BCOJMHJFNFTLKJ-CHWSQXEVSA-N 286.297 3.538 30 20 CHED N#CCc1cccc(NCc2ccc(-n3ccnc3)cc2)c1 313449208 ONIWHGLWSUKUHC-UHFFFAOYSA-N 288.354 3.550 30 20 CHED COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 317228949 ZKSHPRKLBDUGNP-LLVKDONJSA-N 297.314 3.648 30 20 CHED N#Cc1cncnc1Sc1ccc(Cl)cc1Cl 322961270 USCRFCDQNVLPNC-UHFFFAOYSA-N 282.155 3.806 30 20 CHED O/C(=N/Cc1nccs1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 328781823 FXCLLMQWHYVORT-RWMBFGLXSA-N 293.436 3.506 30 20 CHED Cc1nc(C(C)C)oc1/C(O)=N/C[C@@H]1CCCCS1 329028730 KOQQDCXBTYCKRD-NSHDSACASA-N 282.409 3.697 30 20 CHED C[C@H]1C[C@H](C(O)=Nc2cnc3ccccc3c2)CC(O)=N1 329362950 ZFMBGCWPEHCFIR-JQWIXIFHSA-N 283.331 3.578 30 20 CHED C[C@@H]1CC[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 331074032 KNXMPJFGMOCWQR-KGLIPLIRSA-N 284.403 3.654 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/[C@@H]2CC[C@H](C)C2)c1C 331158266 WHFUDKKLRZTZDB-GMXVVIOVSA-N 278.400 3.677 30 20 CHED N#CC[C@@H]1CC[C@H](NC(=O)CC2CCCCCC2)C1 331550504 NBOGJWNDVWRZTL-GJZGRUSLSA-N 262.397 3.545 30 20 CHED CCC1CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 333156856 HPYDAODPISIBRE-KVULBXGLSA-N 274.408 3.545 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1cccc2ccsc12 334406728 QWTMUOKBPTWPNK-UHFFFAOYSA-N 272.373 3.523 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(-c2cc[nH]n2)c1 336096497 HMORMBATQSOTNP-HNNXBMFYSA-N 296.374 3.649 30 20 CHED CC(C)[C@H]1CCCCN1CCCC1(C#N)CCOCC1 337188308 QGLBNWHAHHOMNC-MRXNPFEDSA-N 278.440 3.597 30 20 CHED N#CC1(CCCN(CC2CCC2)CC2CC2)CCOCC1 337232430 JNWQUMVYXYZOMI-UHFFFAOYSA-N 290.451 3.599 30 20 CHED CCOc1ccc(NC(=O)c2cccc(C#N)c2C)cc1F 337848762 DXEIPYZGOLOTIK-UHFFFAOYSA-N 298.317 3.657 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CC[C@H](CC(C)C)C1 337876497 ZFNQIAIOQHTWSK-CQSZACIVSA-N 288.439 3.604 30 20 CHED C=C1CCN(C(=O)c2ccc(N(C)CC(C)C)cc2)CC1 342090274 IBKRJQWZZFVQBU-UHFFFAOYSA-N 286.419 3.571 30 20 CHED C=CCCN(C)Cc1csc(-c2ccsc2)n1 342736374 PWJLVONMKYLLKF-UHFFFAOYSA-N 264.419 3.880 30 20 CHED CSc1ccc(F)cc1CNc1nccc(C)c1C#N 343513045 QCSOGUZKMXHYTD-UHFFFAOYSA-N 287.363 3.735 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C#N)cc2)C1 343616232 CTDLETBXAUBUAU-KBXCAEBGSA-N 290.366 3.782 30 20 CHED N#Cc1cccc(CCN[C@H](c2cccnc2)C2CCC2)c1 343632836 ZRPXYZROBAQBSB-IBGZPJMESA-N 291.398 3.627 30 20 CHED N#CC1(CSCc2csc(-c3ccco3)n2)CC1 344485868 YQGWQVDBUDVKIK-UHFFFAOYSA-N 276.386 3.940 30 20 CHED Cc1ccc(-c2noc(-c3cc(C#N)oc3C)n2)cc1F 345714601 OVSLLDCHMFLAQQ-UHFFFAOYSA-N 283.262 3.624 30 20 CHED CN(C(=O)NCCCC#N)C1CCC(C(C)(C)C)CC1 345831734 BZRNDVVHXACVQE-UHFFFAOYSA-N 279.428 3.536 30 20 CHED C[C@@H](CC#N)N(C)CCCOc1cccc2ccccc12 345878067 ZIACFJVIBCUNGP-HNNXBMFYSA-N 282.387 3.843 30 20 CHED C=CCCCCNC(=O)Nc1ccccc1-n1nccc1C 352881298 CMYTWCYVAORWAS-UHFFFAOYSA-N 298.390 3.659 30 20 CHED C=CCC[C@H](NCCc1cscn1)c1ccco1 353623460 RFECEONNIHUGEM-ZDUSSCGKSA-N 262.378 3.576 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)c1cnccc1C#N 354557904 HPTVMCXQJGNZAJ-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=CCCC1(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 354610237 YRRDETFYEZJATG-SOUVJXGZSA-N 261.409 3.675 30 20 CHED CCC1(CC)[C@H](OC)C[C@H]1N(C)CC(C)(C)CCC#N 355205851 KNKRQHYKVWUMGF-HUUCEWRRSA-N 280.456 3.842 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2nccc(C)c2c1 355552090 YWCAKPSSKBMEGW-OAHLLOKOSA-N 280.371 3.724 30 20 CHED Cc1cnc(C2CCN(CCCC(C)(C)C#N)CC2)s1 369355060 VIXIQLJZKFSCEW-UHFFFAOYSA-N 291.464 3.961 30 20 CHED C[C@@H](Nc1nccc(C(C)(C)C)n1)c1ccc(C#N)cc1 386418984 ZHYIDJLBCZAHHG-GFCCVEGCSA-N 280.375 3.819 30 20 CHED N#CCc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)cc1 398984802 AHKVZIREVTXZPC-QZTJIDSGSA-N 268.404 3.765 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)cc1C#N 410556975 LLMXSAWAIAHSAN-BXUZGUMPSA-N 274.339 3.852 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cccc(-c2ccoc2)c1 410833824 ICCLZJHIMLWUTN-INIZCTEOSA-N 282.343 3.711 30 20 CHED CCOc1cccc([C@@H](C)Nc2ncc(C#N)cc2F)c1 413094968 LWZBTABEMVQYBE-LLVKDONJSA-N 285.322 3.664 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N(CC#N)C1CCCC1 413484320 SOXHFCCALNMPPG-OAHLLOKOSA-N 276.424 3.888 30 20 CHED COc1cccc([C@@H]2C[C@H]2CNCc2cc(C#N)cs2)c1 414553250 IULWABDXWZUZEX-YOEHRIQHSA-N 298.411 3.522 30 20 CHED Cc1csc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1 416098588 KIAABCAWZKNBHG-HNNXBMFYSA-N 296.395 3.736 30 20 CHED CC(C)(C)c1ccccc1NC(=O)NCC1(C#N)CCC1 416730339 IZIBKAHRSPFYDN-UHFFFAOYSA-N 285.391 3.799 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(SC)cn2)no1 420514155 MTMWZLQPLGGPJV-UHFFFAOYSA-N 275.377 3.707 30 20 CHED C[C@@H]1CC(C(=O)N2CCc3c(C#N)cccc32)C[C@@H](C)C1 421659493 XEUTZQJXTUIUIQ-STQMWFEESA-N 282.387 3.520 30 20 CHED C=CCC[C@H](NC[C@@H]1NCCc2ccccc21)c1ccco1 423445487 YHDOPOSPPQEXCB-ROUUACIJSA-N 296.414 3.764 30 20 CHED CC1(C)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 426473184 WKUQXGABJLVEDY-UHFFFAOYSA-N 281.321 3.789 30 20 CHED CC(C)COc1ccc(CNCC2(CC#N)CC2)cc1 430048832 XMPLUPJFEFVYFP-UHFFFAOYSA-N 272.392 3.505 30 20 CHED CN(C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCC(C)(C)C1 432220166 WMIZWQOFJOMOCU-CYBMUJFWSA-N 289.354 3.740 30 20 CHED C=CCCCCCN(C)C(=O)C1(c2cccc(C#N)c2)CC1 435089178 YDTWKKLSFGOQKR-UHFFFAOYSA-N 296.414 3.795 30 20 CHED C=CCC[C@H](NC(=O)N1C[C@@H](C)[C@@H](C)C1)c1ccccc1 435108260 LAWZRRYHEORNTG-UXLLHSPISA-N 286.419 3.991 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C)c(C)c1 436311225 RXPQDDWPPBFZIB-SZMVWBNQSA-N 273.420 3.935 30 20 CHED CC#CCCCc1nc(-c2ccc(O)c3ccccc23)no1 436616498 IJOHCODWUCZRKU-UHFFFAOYSA-N 292.338 3.941 30 20 CHED CCS[C@H]1CC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 437579542 PUGPBYHCBJKLTQ-SJORKVTESA-N 291.435 3.783 30 20 CHED C=CCN(CC=C)C(=O)CSCc1cc(F)ccc1C 438327473 XOAQIFYTHAXBSC-UHFFFAOYSA-N 293.407 3.568 30 20 CHED C[C@H](CCC(=O)NCC#Cc1ccccc1)c1ccccc1 441322487 JZDVLTJDGTVHRF-QGZVFWFLSA-N 291.394 3.738 30 20 CHED N#C[C@@H]1CC[C@H](NCC2(c3ccc(F)cc3Cl)CC2)C1 442847212 PWOGQQUYWPPRHE-YPMHNXCESA-N 292.785 3.793 30 20 CHED COC(=O)c1cc(N[C@H]2CCC[C@@H](C#N)C2)c(C)cc1C 446807491 ZVKPEQHYXQUWJI-KGLIPLIRSA-N 286.375 3.584 30 20 CHED CC(C)(C)OC1CC(CCN[C@@H]2CCC[C@@H](C#N)C2)C1 446976387 WFGMKPADOVXSEY-LVDPKSTMSA-N 278.440 3.642 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@]1(CCC)COC 447829401 SMJMGQLZWSGOFD-DOTOQJQBSA-N 296.455 3.722 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc(C(N)=O)c(C)c1 449300292 NUHMFPXZQGVHSE-CYBMUJFWSA-N 260.381 3.641 30 20 CHED CC[C@H]1C[C@@]1(NCC1(C#N)CCC1)c1cccc(C)c1 450922629 OHJUSCFTIRTNCY-YJBOKZPZSA-N 268.404 3.904 30 20 CHED C=CCC[C@@H](C(=O)NC[C@](C)(CC)OC)c1ccccc1 452739662 MIZABBIJNQGNIZ-AEFFLSMTSA-N 289.419 3.668 30 20 CHED CCC1(NC(=O)C[C@H](CC#N)c2ccccc2)CCCC1 452945159 FDXWHJJWSDPBIV-INIZCTEOSA-N 284.403 3.913 30 20 CHED CC(C)[C@@H]1N(C(=O)c2ccc(C#N)cc2)CC12CCCC2 457154206 AARDHPSHGPUDTC-INIZCTEOSA-N 282.387 3.599 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccc(C)s1)C(C)C 459072968 IWKHFLHAFBIHQC-UHFFFAOYSA-N 280.437 3.943 30 20 CHED CN(CC1(C#N)CC1)[C@H]1CCC[C@@H]1c1ccccc1 459696186 JVOKQBFHSMMTLQ-CVEARBPZSA-N 254.377 3.558 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCCC(C)(C)CC1 460370143 KZHRQVXMALHMMY-UHFFFAOYSA-N 290.455 3.994 30 20 CHED N#Cc1c[nH]c2c(F)ccc(Cl)c2c1=NCCC1CC1 463084442 VYWPANXSZSQANX-UHFFFAOYSA-N 289.741 3.533 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@@H]1CC(C)C 466395129 IVJFIAICIFULIY-LSDHHAIUSA-N 266.429 3.951 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1c(F)cccc1F 467741505 RQUPOHKRGPATIT-BMIGLBTASA-N 267.319 3.744 30 20 CHED CC1(C)CCC[C@@H](NC(=O)CCc2ccc(C#N)cc2)C1 467893361 FGLFECVSLRFCLQ-MRXNPFEDSA-N 284.403 3.576 30 20 CHED C=C(C)[C@@H](NCCN1CCCCC1)c1ccc(F)c(F)c1 469790722 LDAZJCOGLAKDAP-QGZVFWFLSA-N 294.389 3.658 30 20 CHED CCN(CCc1ccc(C(C)C)cc1)C[C@H](C)C#N 469911279 YLTLJRQKGMZCLH-OAHLLOKOSA-N 258.409 3.834 30 20 CHED C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CC[C@H](C)C1 475304021 RUKUDDMFRAPAFT-UONOGXRCSA-N 292.448 3.882 30 20 CHED CC(C)[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCS1 480526333 MXBRMWWYWMGOHJ-HNNXBMFYSA-N 294.851 3.785 30 20 CHED CC[C@@H]1C[C@@H](C)CN1Cc1ccc(Cl)cc1C#N 480550106 FQUWRRGUOOZISJ-IAQYHMDHSA-N 262.784 3.832 30 20 CHED C=CCSc1ccccc1C(=O)NCC1CCCC1 485455336 KNBZKPKVHDTNSQ-UHFFFAOYSA-N 275.417 3.885 30 20 CHED CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(C#N)s1 487592538 VOQMSOYHHQJLED-AWEZNQCLSA-N 299.399 3.628 30 20 CHED C=CC[C@H](C(=O)N(C)[C@@H](C)C(C)C)c1ccccc1 487692526 MRZPWPBVEHQXLM-HOCLYGCPSA-N 259.393 3.849 30 20 CHED C=C(CN[C@@H]1CS[C@H](C(C)C)C1)c1ccccc1 488435030 QYIHAVMMIWYBDF-HOTGVXAUSA-N 261.434 3.820 30 20 CHED C=CCn1cccc1C(=O)N(Cc1ccc(F)cc1)C1CC1 488557418 FFQRWLSAWNBNNR-UHFFFAOYSA-N 298.361 3.618 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)c1ccc(F)cc1 488866380 WNDMJYBWQBCBMP-CZUORRHYSA-N 275.367 3.886 30 20 CHED C=C(C)CNC(=O)CCC(=O)c1ccc(CCCC)cc1 490045014 MYELOCVKGCOBMS-UHFFFAOYSA-N 287.403 3.684 30 20 CHED C=CCOc1ccc(CNCC(C)(C)COC)cc1Cl 491529571 HWWQEBJEZQRRRK-UHFFFAOYSA-N 297.826 3.667 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1CCCC1(C#N)CCOCC1 499549180 NGBBUTRTVIJJNR-DLBZAZTESA-N 292.467 3.988 30 20 CHED C=C(C)CN1CCC(F)(c2cccc(OC)c2)CC1 500142307 VSGLCEAYTLQDLO-UHFFFAOYSA-N 263.356 3.532 30 20 CHED CCN(Cc1ccc(C#N)cc1OC)c1ccccc1OC 501230907 GMIRXAGWXXYIJG-UHFFFAOYSA-N 296.370 3.602 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1ccccc1F 503558160 OJJFUVIWFATHJP-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(C(F)F)CCCCC1 504063264 ZFLRXPQORQGRQI-LLVKDONJSA-N 274.355 3.608 30 20 CHED C=C(C)CCc1noc(/C=C\c2cccc(F)c2)n1 508661924 LITUWWDJOJHLDD-CLFYSBASSA-N 258.296 3.888 30 20 CHED C=C(C)CCN1CCN(CCC(=C)C)[C@H]([C@@H](C)CC)C1 509034017 SHHGZGUGCSLZRY-ROUUACIJSA-N 278.484 3.951 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC(C)(C)C1 511360830 PICAPBXANIGBGP-INIZCTEOSA-N 286.419 3.963 30 20 CHED C=C(CNC(=O)N(C)[C@H](C)c1ccco1)c1ccccc1 512686391 YECYTBYXLBUOTQ-CQSZACIVSA-N 284.359 3.695 30 20 CHED Cc1cccc(C)c1OC[C@H](C)NCc1cccc(C#N)c1 518275463 HMKOEUNHVXNDAC-INIZCTEOSA-N 294.398 3.732 30 20 CHED N#Cc1cc(F)ccc1NCCOc1ccc(Cl)cc1 518348656 JDRFAWITGJSRMA-UHFFFAOYSA-N 290.725 3.842 30 20 CHED CCC(C#N)(CC)c1nc(Cc2cc(C)ccc2F)no1 528211214 SEGRVFSNMWWNHX-UHFFFAOYSA-N 287.338 3.689 30 20 CHED C=CCC1(C(=O)N2CCC(F)(F)C[C@H]2C)CCCC1 530007826 UKVVRICNJFBJSX-GFCCVEGCSA-N 271.351 3.769 30 20 CHED C=CCCCC(=O)N(C)[C@H]1CCCc2ccccc21 530648095 NCVHRLZQBGUGBY-INIZCTEOSA-N 257.377 3.879 30 20 CHED CC[C@H](NC(=O)Nc1cc(C#N)ccc1C)C(C)(C)C 531319713 LNLJEFZFYDPUPT-AWEZNQCLSA-N 273.380 3.813 30 20 CHED Cc1cc(C#N)ccc1OCCCOc1cccc(C#N)c1 531658635 DZGUVWCFWJLFMC-UHFFFAOYSA-N 292.338 3.586 30 20 CHED CN(Cc1ccccc1C(C)(C)C#N)c1cccc(O)c1 532710965 AVFXOKXNKMXCFI-UHFFFAOYSA-N 280.371 3.830 30 20 CHED N#Cc1cccc(C2(c3nc(-c4ccccc4)no3)CC2)c1 533254167 PNIBUFBKMYCROX-UHFFFAOYSA-N 287.322 3.688 30 20 CHED CCOC(=O)[C@@H](Sc1ccc(C#N)cc1Cl)C(C)C 540499299 YZFWQEITNLUAIK-ZDUSSCGKSA-N 297.807 3.891 30 20 CHED CC1(C)CC[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 541044717 BZNAXPGDJPVSTR-JSGCOSHPSA-N 290.794 3.847 30 20 CHED C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@@H]2CCCC[C@@H]12 543185986 QTCTVPSZUCDVFM-FHLIZLRMSA-N 268.404 3.763 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)cc2F)CC1(C)C 546124441 DMJGJCQGONIETA-LBPRGKRZSA-N 260.356 3.565 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)N(C2CC2)C2(C#N)CCC2)CC1 551309389 VPJMRDJLNGAEAS-SHTZXODSSA-N 288.435 3.886 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H]2CCC[C@H](OC)C2)n1 551497907 ZQFYIYIFZVUQLJ-OLZOCXBDSA-N 278.396 3.671 30 20 CHED CC#CCN(C)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 554688298 HBSOREVPOYFICP-UONOGXRCSA-N 296.197 3.579 30 20 CHED C=CCn1c(N(CC2CC2)C2CCC2)nnc1C(C)(C)C 554926093 JWXWAIPZGUUZPJ-UHFFFAOYSA-N 288.439 3.531 30 20 CHED C[C@@H]1C[C@H](NCC2(C#N)CC2)C[C@H](c2ccccc2)C1 555709781 LMXJJXAVEHIMCD-UAGQMJEPSA-N 268.404 3.852 30 20 CHED CN(CCCCCOc1ccccc1)CC(C)(C)C#N 556910282 RKPUWIPWTYVPNJ-UHFFFAOYSA-N 274.408 3.717 30 20 CHED C=CCC[C@H](NC[C@@H](CO)Cc1ccccc1)c1ccco1 560527839 FUVQYJMRSZUCAM-ROUUACIJSA-N 299.414 3.728 30 20 CHED C=C(CC)Cn1cc(Br)c2ccsc2c1=O 568565980 FHXGPVRWEKGTIZ-UHFFFAOYSA-N 298.205 3.792 30 20 CHED C=CCC1(CN[C@@H](C)c2cncnc2C)CCCC1 569825623 SZNDFQHODSWWRT-ZDUSSCGKSA-N 259.397 3.572 30 20 CHED CC[C@H](CC#N)NCCSc1ccc(C)c(C)c1 570864086 NFFIPPMTHCVDDP-CQSZACIVSA-N 262.422 3.677 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2ncco2)cc1C 572506880 TUDTUIWUZSWJAC-UHFFFAOYSA-N 282.343 3.782 30 20 CHED C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 575221938 IPTHVUCEOQBMGA-AUUYWEPGSA-N 276.383 3.939 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@]23CCC[C@@H]2C3)cc1 575740046 USUGXZKHICUSGF-CXAGYDPISA-N 268.360 3.616 30 20 CHED CCN(Cc1ccc(C#N)cn1)Cc1ccccc1Cl 578834554 DESNQRYADXZGLA-UHFFFAOYSA-N 285.778 3.629 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(CC#N)CC1 583246644 ZLTGYTBHLMSSOI-CVEARBPZSA-N 291.439 3.538 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)CCCCCC#N)C1 588166054 NJQXSGDDZSTCHY-AWEZNQCLSA-N 264.413 3.745 30 20 CHED C[C@@H](c1ccco1)N(C(=O)CCCCCC#N)C1CC1 588890793 OKKILYDOXZDQMY-ZDUSSCGKSA-N 274.364 3.806 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 591779868 PNRGDPDOKZENAU-SMDDNHRTSA-N 290.794 3.654 30 20 CHED Cc1ccc(-c2cccc(OCCN(C)C)c2)cc1CC#N 592985162 UPAWAZKPJVXLAB-UHFFFAOYSA-N 294.398 3.669 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H](C#N)CC 593438248 YHIJOHSSOGHCEE-HYVNUMGLSA-N 284.403 3.721 30 20 CHED CC[C@H](C#N)C(=O)NC(C)(C)c1ccc(C(C)C)cc1 593451114 UJGXQZUBOJOMOT-CYBMUJFWSA-N 272.392 3.711 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(C(C)(C)CC)cc1 593669940 DCSRXPHKMAJQDI-GFCCVEGCSA-N 258.365 3.862 30 20 CHED CC[C@H](C)CN(CC)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 593989462 QOXYZSSMSKDPCE-GJZGRUSLSA-N 286.419 3.631 30 20 CHED Cc1ccc(-c2cn(CC3(C#N)CCCCC3)nn2)cc1 594657546 CGOKIXKFXZKOSS-UHFFFAOYSA-N 280.375 3.728 30 20 CHED COc1ccc(CN2CC[C@H]2c2ccc(F)cc2)cc1C#N 595699760 AHVJXTOJYUANCD-KRWDZBQOSA-N 296.345 3.653 30 20 CHED C=CCC1(NCc2ccc(C(=O)OC)s2)CCCC1 595780674 ZOXCPMUFMWEHNH-UHFFFAOYSA-N 279.405 3.513 30 20 CHED CCN(Cc1occc1C)c1nc(C#N)c(Cl)s1 596274639 VSHZGBQIBDCMHI-UHFFFAOYSA-N 281.768 3.596 30 20 CHED Cc1ccc(C(F)(F)F)c(NC(=O)N(C)C[C@H](C)C#N)c1 597074942 HLTYDAKQYAWJDK-SNVBAGLBSA-N 299.296 3.637 30 20 CHED CCN(C(=O)CCc1c(Cl)cccc1Cl)[C@@H](C)C#N 598351456 YRGVXKFMWXMLST-JTQLQIEISA-N 299.201 3.687 30 20 CHED CCOc1cncc(CN(CCC#N)CC(CC)CC)c1 598670799 QRNSWIJCPKMALS-UHFFFAOYSA-N 289.423 3.632 30 20 CHED CCc1ccc([C@@H](C)NC(=O)C(C#N)(CC)CC)cc1 598968678 BUSMCUSNVNGLAJ-CYBMUJFWSA-N 272.392 3.756 30 20 CHED C[C@@]1(C#N)CCCN(Cc2c(F)ccc(F)c2Cl)C1 600143156 AADLVUQDXSWIAP-AWEZNQCLSA-N 284.737 3.744 30 20 CHED COc1ccc(-n2ccnc2S[C@H](C#N)C2CC2)c(C)c1 601080509 QYHXHQWQIZEDOC-OAHLLOKOSA-N 299.399 3.584 30 20 CHED Cc1nc2c(NC(=O)CC3(C#N)CCCCC3)cccc2o1 601620498 KQZKCMIVRHIGOP-UHFFFAOYSA-N 297.358 3.939 30 20 CHED N#CCC[C@H](NC(=O)C1CCC=CCC1)c1ccccc1 602130803 XJZGGWCXDWTDRT-KRWDZBQOSA-N 282.387 3.894 30 20 CHED Cc1cc2cc(CNC[C@@H](C)CCC#N)ccc2[nH]1 602651946 ASMBQKSSJAXZIW-LBPRGKRZSA-N 255.365 3.506 30 20 CHED C=CCN(CC=C)C(=O)CCc1cc(Cl)cs1 605617478 UBDWQBAGLZREML-UHFFFAOYSA-N 269.797 3.535 30 20 CHED C=C(Cl)CN1CCc2cc(Br)ccc21 606296954 MRHMOIATVBGPQH-UHFFFAOYSA-N 272.573 3.564 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 607601311 VKHPOIKOWZTSMV-ROUUACIJSA-N 299.414 3.950 30 20 CHED CC(C)c1ccc(C2(CNC(=O)[C@@H](C)C#N)CCCC2)cc1 609921841 JYWCDOGDDIDLNY-HNNXBMFYSA-N 298.430 3.898 30 20 CHED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc(CC#N)ccn2)CC1 611072937 JIMRYWFRPFEMRT-SHTZXODSSA-N 285.391 3.549 30 20 CHED CC[C@@H](C#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 611148994 RAHHPHOLCROPLM-IUCAKERBSA-N 285.174 3.515 30 20 CHED CC[C@H]1c2ccccc2CCN1c1nccc(C)c1C#N 612079575 ZQGRQHNJAGUHDZ-KRWDZBQOSA-N 277.371 3.776 30 20 CHED CC#CCCCC(=O)Nc1cccc(F)c1SC 617275145 VOMDHSSZONUAJH-UHFFFAOYSA-N 265.353 3.680 30 20 CHED Cc1cc(C#N)ccc1CN(CC1CC1)C1CCC1 619517004 VFEIVYVJHYHTOS-UHFFFAOYSA-N 254.377 3.631 30 20 CHED CC(C)(C)Oc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 619673323 CQQXRGSBFPCAAT-HUUCEWRRSA-N 272.392 3.646 30 20 CHED C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccsc1 619749628 MGIMSJIZNGKJHV-SNVBAGLBSA-N 271.345 3.502 30 20 CHED CC#CCCCC(=O)Nc1ccc(OCCC)c(OC)c1 629941005 PRDQAEAFFGITBK-UHFFFAOYSA-N 289.375 3.616 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(-c2nc(C)no2)nc1 648761204 PMVSUKOJAKOSCZ-GFCCVEGCSA-N 272.352 3.597 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccccc1OC(C)C 652109623 PJQJVIVEYOKDLV-CQSZACIVSA-N 290.407 3.800 30 20 CHED C=C[C@@H](C(=O)O)N1CCC(c2cccc3ccccc23)CC1 652405266 WTEOJLQNLPLVHP-SFHVURJKSA-N 295.382 3.658 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1cc2cccc(CC)c2o1 656566711 SMLIAJOSCMQJKF-AWEZNQCLSA-N 287.359 3.504 30 20 CHED C=CCC1(NCc2ccc(C(=O)NC3CC3)cc2)CCCC1 657703130 UNOFTWXWFUJZOJ-UHFFFAOYSA-N 298.430 3.557 30 20 CHED C=CC[C@@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1 661381369 JROCWDSBTYNFBU-MRXNPFEDSA-N 293.414 3.932 30 20 CHED C=CCC1(N[C@H]2CCCC(C)(C)C2)CCOCC1 668551853 YQFYHEOZKALELW-AWEZNQCLSA-N 251.414 3.670 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1ccncc1 671724649 YCPYNDZREZCVBL-INIZCTEOSA-N 298.434 3.998 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@@H](C)C1CCCC1 674092027 FPCNHQFFKNXMEE-AWEZNQCLSA-N 287.403 3.694 30 20 CHED Fc1ccc(C#CCNC2(c3ccc(F)cc3)CCC2)cc1 676682185 ZSDBWSOYGQEWRK-UHFFFAOYSA-N 297.348 3.985 30 20 CHED C=CCOc1ccccc1-c1nc(-c2cncc(C)c2)no1 685235059 WZZYMGXPDQAUOZ-UHFFFAOYSA-N 293.326 3.672 30 20 CHED C[C@@H](CNc1nc(Cl)c(C#N)s1)Oc1ccccc1 700368957 OZQAFYPCXLOTJK-VIFPVBQESA-N 293.779 3.548 30 20 CHED C#Cc1cccc(NC(=S)NCCc2ccccc2C)c1 726445900 QTWKSHMFXDPWMK-UHFFFAOYSA-N 294.423 3.505 30 20 CHED C#CCOC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 727039895 QXDFSNDHNGKJJC-UHFFFAOYSA-N 290.362 3.757 30 20 CHED CC(C)CCN(CCC#N)Cc1c(O)ccc2ccncc12 728901804 YZYWOTJONFECGW-UHFFFAOYSA-N 297.402 3.702 30 20 CHED N#Cc1ccc(CSCc2cccc3c2OCCO3)cc1 729855885 UKNBWQBDVVIWOM-UHFFFAOYSA-N 297.379 3.763 30 20 CHED C=C1CCN(C(=O)/C=C/c2cc(C)c(C)cc2C)CC1 731196962 MVOVKJGHCXGMLP-AATRIKPKSA-N 269.388 3.804 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccc(Cl)cc1 731319347 UHIVJNPMUGABOR-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C#CCOc1ccc(CN[C@H]2CCc3c(C)cccc32)cc1 733328652 YOXWOLDKCVCCEX-FQEVSTJZSA-N 291.394 3.784 30 20 CHED Cc1ccc(F)c(C=NNc2ccc(C(F)(F)F)cn2)c1 734977157 GCYZETIDOZWLQJ-UHFFFAOYSA-N 297.255 3.994 30 20 CHED Fc1cccc(C=NNc2c(F)cccc2F)c1 735614797 BQWRZDJIWFJXTK-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CCCCCCCCc1nnc(NC(=O)[C@@H](C)C#N)s1 735846035 PNAIHEUUPNUADP-NSHDSACASA-N 294.424 3.539 30 20 CHED CCc1ccc([C@H](C)CC(=O)OCCCCC#N)cc1 738685679 KAKCQZHKBWGZLP-CQSZACIVSA-N 273.376 3.980 30 20 CHED CC(C)CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739598931 LIXDHAZDYDYECK-UHFFFAOYSA-N 298.411 3.949 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc2ccccc2c1 740238648 OXYWFUPZHCIXJM-CQSZACIVSA-N 284.355 3.864 30 20 CHED CCCCCCCN(C)CC(=O)N(C)C1CCCCC1 740874718 DJQDAWOVIYLXFR-UHFFFAOYSA-N 282.472 3.680 30 20 CHED CCO[C@H]1CC(=NNCc2ccccc2)C12CCCC2 743428240 QIIMACXGPYXMIG-INIZCTEOSA-N 272.392 3.501 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1cc(F)ccc1F 743450299 IDGSAZAZCPEWDF-UHFFFAOYSA-N 281.693 3.849 30 20 CHED C=C(Cl)CN1CCC[C@H]1c1cccc(N(C)C)c1 743854329 UFEXJUYGHQMDOX-HNNXBMFYSA-N 264.800 3.642 30 20 CHED C=C(C)CCOC(=O)C[C@H](C)c1ccc(F)cc1 744304188 PBYWMQVGQJWXLG-LBPRGKRZSA-N 250.313 3.829 30 20 CHED CC/C(=C\C(=O)N[C@](C)(C#N)CC)c1cccc(Cl)c1 744489324 JBQSOAAJAKDWLZ-TYZQSYOASA-N 290.794 3.942 30 20 CHED CCN(Cc1cc(C#N)ccc1F)c1ccc(OC)cc1 746109736 VDFDAIICPVPFTN-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CCCCCOc1cc(C=NOCC)ccc1OC 747047346 XFLZJGBWJNLDNF-UHFFFAOYSA-N 265.353 3.635 30 20 CHED O=C1/C(=C/c2ccccc2[N+](=O)[O-])CCc2cc(F)ccc21 747439415 DXQUDMMTFGHBHT-UKTHLTGXSA-N 297.285 3.946 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1c(F)cccc1F)C2 747439431 AGPBKNAIZVVLAY-DHZHZOJOSA-N 286.277 3.796 30 20 CHED CC(=NNc1ccc(Cl)c(C(=O)O)c1)C1CCC1 747624199 KBLSHSQZAGCKND-UHFFFAOYSA-N 266.728 3.626 30 20 CHED O=C(/C=C/C=C/c1ccc(F)cc1)c1ccc(O)cc1O 747694470 XXZJTXOZUFDEAM-ZPUQHVIOSA-N 284.286 3.689 30 20 CHED CC(=NNc1ccc(F)cn1)c1coc2ccccc12 747750498 VAAYYWBAZKVILH-UHFFFAOYSA-N 269.279 3.803 30 20 CHED CCc1ccc(C=NOCCc2scnc2C)cc1 748097060 AYCGXARUHIBICF-UHFFFAOYSA-N 274.389 3.607 30 20 CHED CCCCCCCn1c(C(F)(F)F)csc1=O 748624200 LIFMKUXEVJSYQL-UHFFFAOYSA-N 267.316 3.899 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccc2ccccc2n1 749815274 MLVHEUGDQXKPCC-UHFFFAOYSA-N 280.306 3.605 30 20 CHED COc1ccc(C=NNc2ccc(F)cc2C)cc1 750938346 FWKCMROSMPYQRQ-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cncc(F)c1 750938408 HBJKWJOKXDTEBP-UHFFFAOYSA-N 261.275 3.504 30 20 CHED CS/C=C\C(=O)Nc1ccccc1S[C@H](C)CC#N 751579253 MRSUNIADMGDIAF-HIJJYWJESA-N 292.429 3.896 30 20 CHED N#Cc1csc(C(=O)OCc2cccc(Cl)c2)c1 752167201 JRMVHYBKYGOGPH-UHFFFAOYSA-N 277.732 3.630 30 20 CHED C=CCNC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 753057355 MDBRMOBDNJGOKD-UHFFFAOYSA-N 288.297 3.939 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1ccc2c(c1)C[C@H](OC)C2 753576927 XMVMDCMZSZQRQS-GDZNZVCISA-N 259.393 3.813 30 20 CHED CC(C(=O)N[C@](C)(C#N)C1CCCCC1)=C1CCCC1 753619325 ZJUZPGVHFOTWAC-QGZVFWFLSA-N 274.408 3.856 30 20 CHED O=C(/C=C\c1cccc(Cl)c1F)c1cc(O)cc(O)c1 753715181 AVQHQSXTNMEEDD-PLNGDYQASA-N 292.693 3.786 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)c1ccccc1F)OCC 756470053 JEYJCXLYFQPDCD-IUODEOHRSA-N 280.339 3.801 30 20 CHED CC1(C)CCC(=NNc2nc(O)c3ccccc3n2)CC1 757583571 DZLLKKXUICQPSO-UHFFFAOYSA-N 284.363 3.704 30 20 CHED C#CC[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 757597120 KKVXZDXUIOUYJD-INIZCTEOSA-N 288.350 3.662 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)/C=C\c1ccccc1C#N 757767181 SEHMWIOCUACHRM-SNGWPZLWSA-N 282.387 3.656 30 20 CHED CCCC1(CNC(=O)/C=C\c2ccccc2C#N)CCC1 758646995 RLNMCRMDKVHOMM-HJWRWDBZSA-N 282.387 3.658 30 20 CHED CN(CCc1ccccc1F)Cc1ccc(F)c(C#N)c1 758720892 NMIDNXRTXDVPML-UHFFFAOYSA-N 286.325 3.511 30 20 CHED C#CCCCCNC(=O)N1CCCC[C@@H]1Cc1ccccc1 758880212 MCCIMUSSQSTQOI-GOSISDBHSA-N 298.430 3.597 30 20 CHED COc1cc(F)cc(NN=Cc2c(F)cccc2F)c1 759209680 HTYCYPZTQMDESZ-UHFFFAOYSA-N 280.249 3.559 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3CC[C@H](C)C3)[nH]c12 759554758 KDUQUXBKMOTSER-IACUBPJLSA-N 295.386 3.874 30 20 CHED C=CCCC(=O)COC(=O)/C=C\c1cc(C)c(C)cc1C 761381957 SSUVTGLBUQFCMN-HJWRWDBZSA-N 286.371 3.704 30 20 CHED C=CCCC(=O)COC(=O)/C=C(\C)c1cccc(Cl)c1 761410661 LWIHUMXUQJENPX-FMIVXFBMSA-N 292.762 3.822 30 20 CHED CCCCCCCCc1nc(Cc2ccncc2)no1 761553253 ISECJNIIOJESNI-UHFFFAOYSA-N 273.380 3.958 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)C(F)(F)F 761758980 IJNFDIKGTWHSKP-UHFFFAOYSA-N 272.057 3.739 30 20 CHED C=CC[C@@H](N[C@H](C)c1cnn(C(C)C)c1)c1ccncc1 766022443 VZNXBLCWXQWCIT-RHSMWYFYSA-N 284.407 3.827 30 20 CHED Fc1cccc(F)c1NN=Cc1ccn(-c2ccccc2)n1 766705124 QJDFEHSJDLQNQR-UHFFFAOYSA-N 298.296 3.597 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(SC(F)(F)F)cc1 768878244 QEOLJCMXVGOPAO-SNVBAGLBSA-N 288.338 3.890 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)C[C@@H]1CCC[C@@H]1C 769472982 HJSCDQNQZBPRKX-STQMWFEESA-N 289.350 3.603 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(CCCC)cc1 770060098 SJLDUWYQYLXBQS-ZDUSSCGKSA-N 258.365 3.515 30 20 CHED C#CCN(Cc1ccc(COC)o1)[C@H]1CCc2ccccc21 772599152 NRZYPLBJOQOGLT-IBGZPJMESA-N 295.382 3.549 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773019493 MCLKIMOSNYNIRI-CQSZACIVSA-N 286.419 3.698 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1nccnc1Cl 773203693 WCLRCYYGOVGTIG-WDEREUQCSA-N 264.760 3.520 30 20 CHED CC(C)=CCC/C(C)=C\C=NOC1CCOCC1 774460920 ZFRMKTZHDWIQGY-VUPFUBHTSA-N 251.370 3.861 30 20 CHED CCC(CC)CNN=Cc1c(C(C)C)nn(C)c1Cl 774470246 GPFDYEJKWWAKDY-UHFFFAOYSA-N 284.835 3.557 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC=CO1 774837208 BEMPQFMAFPJBPF-SFHVURJKSA-N 284.403 3.709 30 20 CHED C[C@H](NCc1ccc(CC#N)cc1)c1ccc(N(C)C)cc1 775832999 DYWMVJDTHSWOKH-HNNXBMFYSA-N 293.414 3.669 30 20 CHED C#CCOc1ccccc1CNc1cc(C)n([C@@H](C)CC)n1 776258784 VQSDVFZMBMPMLP-AWEZNQCLSA-N 297.402 3.787 30 20 CHED C[C@@H](OC(=O)Cc1ccccc1CC#N)c1cccc(F)c1 776968697 UQECTCJWRSXQEH-CYBMUJFWSA-N 297.329 3.739 30 20 CHED Cc1[nH]c2ccccc2c1C=NNc1cc(Cl)ccn1 777907366 SDEWXHZBZRPNCX-UHFFFAOYSA-N 284.750 3.971 30 20 CHED CCc1c(C(C)=NNCCOC(C)C)oc2ccccc12 778548585 XZXDOZDRQYQFMR-UHFFFAOYSA-N 288.391 3.734 30 20 CHED C=C(Cl)CN[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 779105615 AIBUUACNZFIINI-LBPRGKRZSA-N 274.795 3.676 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)C1(C#N)CCCCC1 779269280 GZBDVSCDCLSUJK-HZSPNIEDSA-N 263.381 3.828 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC(C)C)cc1 779849030 AIIYXMZPDQCECW-UHFFFAOYSA-N 273.376 3.996 30 20 CHED COCC(=NNc1ccc(Cl)cc1)C1CCCC1 780186406 INCGUWMDQJZKBV-UHFFFAOYSA-N 266.772 3.945 30 20 CHED COc1ccc(NN=C2CCCC[C@@H]2C(C)C)nc1 780275012 NHGOBMZGOBKGDT-CYBMUJFWSA-N 261.369 3.704 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Cl)cc1O 780670770 NVJQDKNXILLJNW-UHFFFAOYSA-N 265.740 3.568 30 20 CHED Cc1nc2cc(N=Cc3cccc(O)c3O)ccc2s1 781099236 DZJJTOYXAWIZKH-UHFFFAOYSA-N 284.340 3.767 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1ccc(Cl)cc1F 781168059 WBNMYKZOWYKQSY-SNVBAGLBSA-N 286.730 3.504 30 20 CHED O=C(NO)c1c(Cl)cccc1Oc1ccccc1Cl 782172580 ZPTFGNYFXCTOCL-UHFFFAOYSA-N 298.125 3.905 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CCCC2(CCCC2)C1 782419547 IOUMVUYCYXJTNM-UHFFFAOYSA-N 285.347 3.627 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNc1ncnc2sccc12 783815962 ILFGJOHVSMZPEG-WDEREUQCSA-N 274.393 3.915 30 20 CHED CCCCCCCC(=O)NC[C@H]1CCCCS1 784112734 MJLXEFCYDKAMTF-CYBMUJFWSA-N 257.443 3.749 30 20 CHED COc1c(C)cc(C(=O)OCCCC(C)(C)C#N)cc1C 784522376 NYJOJWVQSWHDPV-UHFFFAOYSA-N 289.375 3.799 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1CCCC1(C)C 784788201 QZSNAJBWJMTYLE-LBPRGKRZSA-N 251.370 3.686 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1O 787311602 WTYCDBIKLMRKRJ-LBPRGKRZSA-N 269.747 3.725 30 20 CHED C/C=C(/C=C/C(=O)N[C@H]1CCc2cc(C#N)ccc21)CC 787844118 NYKOKOHPACJYFV-JUGYSZGFSA-N 280.371 3.574 30 20 CHED COc1cc(NN=Cc2ccc(O)cc2)ccc1Cl 788472083 OQIXHHOZMISZNS-UHFFFAOYSA-N 276.723 3.500 30 20 CHED COc1ncc(C(=O)/C=C\c2ccc(F)cc2)cc1Cl 789156297 MZXJZBFVZDRFCX-DAXSKMNVSA-N 291.709 3.779 30 20 CHED CC(C)(C/N=C/c1cc(Cl)ccc1O)CN1CCCC1 790098318 GVHKKVSQMQMRAA-VCHYOVAHSA-N 294.826 3.587 30 20 CHED CCc1ccc(C(C)=NNc2ncccc2C)s1 790185075 APVJMCUFOZVQNC-UHFFFAOYSA-N 259.378 3.850 30 20 CHED Cc1cccnc1NN=C1CCC[C@H](C(F)(F)F)C1 790185897 KUGUZZUJQSMGJL-JTQLQIEISA-N 271.286 3.910 30 20 CHED CC(C)CN(CCC#N)Cc1ncc(C(C)(C)C)s1 790903467 GNUJBCSPTYAJND-UHFFFAOYSA-N 279.453 3.812 30 20 CHED CCCCCCCCCN1CCC(OC(C)=O)CC1 792261054 UCNSEHRWIQKZGC-UHFFFAOYSA-N 269.429 3.765 30 20 CHED Fc1ccc(C(C[C@@H]2CCOC2)=NOC/C=C/Cl)cc1 793054945 IMWMIYHJQXKEQM-CVQIJKHXSA-N 297.757 3.726 30 20 CHED CCNc1ccc(Cl)cc1C(=O)OCC1(CC#N)CC1 793162379 KJVCVBSINHWJMY-UHFFFAOYSA-N 292.766 3.622 30 20 CHED CC(C)(CCC#N)COC(=O)[C@H]1CCC(=O)c2ccccc21 793326338 XLILGGWYBZJNRR-HNNXBMFYSA-N 299.370 3.620 30 20 CHED Cc1cc(F)ccc1NN=Cc1c(F)ccc(O)c1F 794523816 KMHGTLOOCUIJPE-UHFFFAOYSA-N 280.249 3.564 30 20 CHED CCc1oc2ccccc2c1C=NNCCC(F)(F)F 794546062 PNFRBMMVHYTPMF-UHFFFAOYSA-N 284.281 3.871 30 20 CHED O=C1/C(=C2\COc3ccc(F)cc32)CCc2ccc(O)cc21 794959478 AXJSQIBMEIFPAQ-DTQAZKPQSA-N 296.297 3.506 30 20 CHED Fc1cccnc1NN=C1C[C@H]2CCCc3cccc1c32 794990073 MTEGJQAXMYOBOJ-GFCCVEGCSA-N 281.334 3.861 30 20 CHED C=CCNN=C/C(C)=C\c1ccccc1C(F)(F)F 794999560 KBTNABQKPFKNGZ-KONRHVFCSA-N 268.282 3.870 30 20 CHED COCCCON=Cc1ccc(-c2ccccc2)cc1 795051389 RMTAPXNHHGEIMB-UHFFFAOYSA-N 269.344 3.741 30 20 CHED N#CC[C@@H](CC(=O)OCc1cccc(F)c1)c1ccccc1 795983881 VBEYMUJDLZCNIL-INIZCTEOSA-N 297.329 3.956 30 20 CHED C#CCCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 796142390 OLNVCWBINAFDMO-CQSZACIVSA-N 281.321 3.908 30 20 CHED Cc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)c(C)c1 797195016 LGYARYCMEVXIRH-PXNMLYILSA-N 266.296 3.625 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc2ccccc2c1 797785511 HGDJEEUQXIUDIT-UHFFFAOYSA-N 276.295 3.865 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2ccc(C)c(C#N)c2)c1 799319593 INKGJPDNUJODPA-UHFFFAOYSA-N 278.355 3.760 30 20 CHED CCc1cccc(C)c1NN=C(C)C1CCOCC1 799491580 IBXLXOPJAZMIHO-UHFFFAOYSA-N 260.381 3.772 30 20 CHED COc1cccc(C=NNc2ccc(Cl)cc2)c1F 799865658 JIMJTRKNANJXQG-UHFFFAOYSA-N 278.714 3.934 30 20 CHED COc1ccc(CNN=C(C)c2c(C)cc(C)cc2O)cc1 799876334 NVKAKVUIZWOFSX-UHFFFAOYSA-N 298.386 3.531 30 20 CHED CSC1(C=NNc2nc3cc(F)c(F)cc3[nH]2)CCC1 800810566 UYFMWRPDBFREEJ-UHFFFAOYSA-N 296.346 3.525 30 20 CHED Cc1ccc([C@@H]2[C@H](C)CCCN2CCO[C@@H](C)C#N)cc1 801922659 MUOCNVDWNGJLKA-RYRKJORJSA-N 286.419 3.697 30 20 CHED C=CCCCCCCNC(=O)/C=C/c1cnc(C)s1 805219471 MIOGTCFKMLVGQM-MDZDMXLPSA-N 278.421 3.717 30 20 CHED C=CCCCCCCNC(=O)C[C@H](C)c1ccncc1 805221350 PITXAFXLRBAENT-HNNXBMFYSA-N 274.408 3.828 30 20 CHED C=CCCCCCCCCNC(=O)[C@@H]1CCO[C@H](C)C1 805277846 KTVBFTBRNZCSSZ-HZPDHXFCSA-N 281.440 3.834 30 20 CHED O=C1/C(=C/c2ccccc2)Cc2nc(Cl)ccc21 806579856 UTJJZLZICSYWRA-DHZHZOJOSA-N 255.704 3.557 30 20 CHED C=CCCCCCCCCNC(=O)N1CCCO[C@@H](C)C1 807591991 KNCYOHYYLGOQPU-INIZCTEOSA-N 296.455 3.724 30 20 CHED C=CCCCCCCCCNC(=O)c1ncoc1C 807843758 PLBMUADAPSTTIW-UHFFFAOYSA-N 264.369 3.630 30 20 CHED Cc1cc(C=NNc2nccnc2C2CCC2)c(C)s1 807993161 VANBUPQJRJHPFO-UHFFFAOYSA-N 286.404 3.868 30 20 CHED CSc1ccc(C=NNc2nccnc2C2CCC2)cc1 807993916 IZRIJSCVVMWTGR-UHFFFAOYSA-N 298.415 3.912 30 20 CHED C#Cc1ccc(CN2CC[C@@H](c3ccc(OC)cc3)C2)cc1 809560125 NWCCOZUVMUPWBL-LJQANCHMSA-N 291.394 3.666 30 20 CHED C#C[C@@H](CC)NCc1cnc(-c2ccc(Cl)cc2)s1 809686283 HHFCIQMJOPFVHD-ZDUSSCGKSA-N 290.819 3.965 30 20 CHED C=CCCCCCCCN[C@@H](C)[C@H]1CCCOC1 810242667 GPMBUORSADTMFL-HOTGVXAUSA-N 253.430 3.918 30 20 CHED CCCOc1ccc(C(C)=NNC[C@@H]2CCSC2)cc1 811661419 KWNUFWWNKAXDRA-AWEZNQCLSA-N 292.448 3.542 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)c1ccco1)c1ccc(Cl)cc1 811948131 YOYVIOIMWJDAPV-SMDDNHRTSA-N 287.746 3.527 30 20 CHED CCOC(=O)c1ccc(NN=C2CCC23CCC3)cc1C 812228118 CYBWTYAIBQJTEN-UHFFFAOYSA-N 286.375 3.904 30 20 CHED C#CCON=C(CC)c1ccc2cc(OC)ccc2c1 812234144 RVWPAAPGQNBDOV-UHFFFAOYSA-N 267.328 3.612 30 20 CHED C#CCON=CCCCc1ccc(Cl)c(Cl)c1 812234145 RVZKXXINSMCOQM-UHFFFAOYSA-N 270.159 3.952 30 20 CHED Fc1ccc2ccc(C=NNc3ccccc3)nc2c1F 814684221 IJYWTDWNEYRITQ-UHFFFAOYSA-N 283.281 3.959 30 20 CHED CC(C)c1cnc(C=NNc2nc3ccccc3[nH]2)s1 814708792 MHUOYQVFOOZRRL-UHFFFAOYSA-N 285.376 3.589 30 20 CHED COc1ccc(NN=C2Cc3[nH]c4ccccc4c3C2)cc1 814885335 WKBSXNUVNLGUBV-UHFFFAOYSA-N 291.354 3.743 30 20 CHED CCOc1ccc(NN=Cc2ncc(Cl)s2)cc1 814984457 OQXZRWSYMYCBSU-UHFFFAOYSA-N 281.768 3.641 30 20 CHED C=CCC(F)(F)C(=O)N(CC1CC1)C1CCCCC1 815330344 RJMWOTRXOCSGBC-UHFFFAOYSA-N 271.351 3.769 30 20 CHED C=CCC(F)(F)C(=O)NC(C)(C)Cc1ccccc1C 815356612 WNRRYRIGMAPVJU-UHFFFAOYSA-N 281.346 3.644 30 20 CHED C=CCC(C)(C)CN[C@@H]1CC[C@H]2SCCS[C@H]12 815636771 BOBNHJVEOUJEBE-JHJVBQTASA-N 271.495 3.558 30 20 CHED Cc1ccc(C2CC(=NN[C@@H](C)c3ccncc3)C2)cc1 819814956 JOHXBDAKTVCDSE-MBIQTGHCSA-N 279.387 3.974 30 20 CHED Cc1cccc2c(C(=O)O[C@H]3CCC[C@@H](C#N)C3)coc12 821376194 RVHBBKQFBMETKN-OLZOCXBDSA-N 283.327 3.980 30 20 CHED C=CCCCC[C@@H](C)NCCc1cnc(C)s1 824027163 GPTOFXCQUIUEBL-GFCCVEGCSA-N 252.427 3.719 30 20 CHED CC[C@H](NC(=O)C#CC(C)C)C(C)(C)c1ccccc1 828590396 DCJZBFSYTFCUMG-INIZCTEOSA-N 271.404 3.518 30 20 CHED CCCC[C@@](C)(F)C(=O)N[C@H]1CCc2cc(C#N)ccc21 834678010 CQMSBQSCYQLQEP-DOTOQJQBSA-N 288.366 3.580 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)[C@H]1C[C@H]2CC[C@H]1O2 834963822 SQTCEESWOUMKBC-JTNHKYCSSA-N 282.746 3.834 30 20 CHED Clc1cnc2oc(C=NOC3CCCC3)cc2c1 834969700 XCFNJVRPIWJNQN-UHFFFAOYSA-N 264.712 3.774 30 20 CHED Cc1nn(C)c(Cl)c1C=NNc1ccc(C(C)C)cc1 835018189 IABYWUNDMKXAIT-UHFFFAOYSA-N 290.798 3.951 30 20 CHED C[C@H](CC#N)OC(=O)C1(Cc2cccc(Cl)c2)CC1 835158798 KZILKZWYNFNECR-LLVKDONJSA-N 277.751 3.508 30 20 CHED CC(C)(C(=O)OC[C@@H](C#N)Cc1ccccc1)C1CCC1 835210339 QOBVSBLVJNZSAJ-OAHLLOKOSA-N 285.387 3.738 30 20 CHED C#CCC[C@H](C)OC(=O)/C=C\c1nc2ccccc2s1 839032942 VVYPVTONCGHOOE-WEHUKYGOSA-N 285.368 3.655 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(F)cc1OCC#N 839303096 VKPIZTXVMJREDV-GFCCVEGCSA-N 292.354 3.739 30 20 CHED Clc1cccc([C@@H]2CCCC(=NN[C@H]3CCOC3)C2)c1 841635735 OZXOZYSFZQDWQC-CJNGLKHVSA-N 292.810 3.732 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccco1 842327924 MBNWCPFHIKGHFC-BYCMXARLSA-N 281.311 3.559 30 20 CHED C#CC1CCN(C(=O)CCCc2cc(C)sc2C)CC1 843706063 HBWGEJYMBISOEU-UHFFFAOYSA-N 289.444 3.559 30 20 CHED CC(C)(CCC#N)COC(=O)[C@H]1CC[C@H](C)CC1 845554371 GOYKEMALFUNLDD-JOCQHMNTSA-N 251.370 3.686 30 20 CHED C=C(C)CONC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 846534673 XGFAYWYABXJWPZ-JTQLQIEISA-N 287.281 3.590 30 20 CHED C=C(C)CONC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 846538671 KRUZGAGJJKOLMB-IRXDYDNUSA-N 281.355 3.567 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2c(C3CC3)cnn2C)c(O)c1 849248078 KATFGIWGWDDFLZ-VOTSOKGWSA-N 296.370 3.516 30 20 CHED C=CC(C)(C)CCOC(=O)Cc1c(C)nn(C(C)C)c1C 851300529 VAAPQVZCOMSDTK-UHFFFAOYSA-N 292.423 3.769 30 20 CHED CC(=NN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnccn1 853315634 VDBVKZJSGHGAKU-VXGBXAGGSA-N 298.312 3.640 30 20 CHED CC(C)(C)c1ccc(C=NOCc2cccnc2N)cc1 853637556 SDCFGVKLRBFWSG-UHFFFAOYSA-N 283.375 3.512 30 20 CHED CC(C)C#CC(=O)N(C)Cc1ccc(Cl)cc1Cl 854231083 DISMRLSUWDVQNR-UHFFFAOYSA-N 284.186 3.611 30 20 CHED C#CCC[C@H](C)OC(=O)/C=C\c1ccc(SC)s1 860826109 TYVBFQSPJITKKT-DVBBHNHCSA-N 280.414 3.828 30 20 CHED C=CCn1c(SCSC(C)C)nnc1C1CC1 863240109 TYVWNLDRARSMNV-UHFFFAOYSA-N 269.439 3.533 30 20 CHED C=CCN(C(=O)[C@H](C)CCc1ccc(F)cc1)C1CC1 867201578 KKYMONVBTGREIG-CYBMUJFWSA-N 275.367 3.571 30 20 CHED C=C1CCC(c2nc([C@H](C)OCC(F)(F)F)no2)CC1 896617591 WURMWPGVWIGIAQ-VIFPVBQESA-N 290.285 3.923 30 20 CHED CC[C@@](C)(C#N)c1nc([C@@H](C)c2cccc(F)c2)no1 897067305 HFCQFCGFCUFCPE-BONVTDFDSA-N 273.311 3.552 30 20 CHED CS[C@H]1CCCC(=NNc2nccnc2C2CCC2)C1 901239101 MBNYLJNRIWABDF-ZDUSSCGKSA-N 290.436 3.818 30 20 CHED Cc1cccc(OCCSCc2cc(C#N)ccn2)c1 901735751 KVMWTVNEPDXOIA-UHFFFAOYSA-N 284.384 3.574 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C(=O)O)c1ccc(C)c(C)c1 901846703 WVVVARSBHVBJMM-JGGQBBKZSA-N 275.392 3.619 30 20 CHED CC[C@H](NCCc1ccccc1O)c1cccc(C#N)c1 902785961 JQMYGJPXQYHVKI-KRWDZBQOSA-N 280.371 3.547 30 20 CHED CC(=NNc1ccc(Cl)c(C)c1)c1cnn(C)c1C 905509653 MNRZWLNXDDEBON-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CC(=NNc1cncc(Cl)n1)c1ccccc1Cl 914560331 YRFNWNWVQKVLSI-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1scnc1C 915112304 ZCVKLYWLAKJKGA-UHFFFAOYSA-N 259.378 3.904 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2C)c(OC)c1 916346012 SEOVUZXRLKXNIY-UHFFFAOYSA-N 284.359 3.767 30 20 CHED CCOc1cccc(/C=N\[C@@H](C)c2cccc(OC)c2)c1O 917558699 VOSUIXFKOSBCPZ-QXGSTRBFSA-N 299.370 3.980 30 20 CHED C=CCN(C(=O)NCc1cccc(OC(C)C)c1)C(C)C 918084131 ZQBLQEDOOGOTOW-UHFFFAOYSA-N 290.407 3.580 30 20 CHED C=C(C)CNC(=S)N(CC)c1cccc(Cl)c1 920077111 NIOLNMFHKUHTGD-UHFFFAOYSA-N 268.813 3.617 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2ccc(F)c(F)c2)c1 920387118 LKBSWAKYGPGCQH-GRSHGNNSSA-N 291.297 3.688 30 20 CHED C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(C#N)cc1 921515426 DKRVCCKRUKUWSR-AWEZNQCLSA-N 292.382 3.734 30 20 CHED C#CCN(C(=O)N[C@H](C)c1cc2ccccc2o1)C(C)C 922126788 FIOMRBGPGJAPLN-CYBMUJFWSA-N 284.359 3.547 30 20 CHED C=CC[C@H](C)N[C@@H](c1ccccn1)c1ccccc1OC 925425414 FZUYKEZJKWOEDZ-KBXCAEBGSA-N 282.387 3.734 30 20 CHED CC1(C)[C@H](NCCCCC2(C#N)CCC2)[C@H]2CCCO[C@H]21 930628526 NNVLOSDHNYGQLP-BZUAXINKSA-N 290.451 3.644 30 20 CHED C=C1CCN(C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 931131846 JSXODUSWPNVQEA-UHFFFAOYSA-N 289.379 3.690 30 20 CHED C=C1CCN(C(=O)Nc2cnc(C(F)(F)F)cc2C)CC1 931481704 RNIJMRDCFSBXMS-UHFFFAOYSA-N 299.296 3.593 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(CN(C)C)ccc1C 934168955 MAZDNKVNKCGJCP-AWEZNQCLSA-N 274.408 3.597 30 20 CHED CCOc1cc(C=NOC(C)(C)C)ccc1OC(F)F 1116404949 RJBOFSANDRYICG-UHFFFAOYSA-N 287.306 3.836 30 20 CHED C[C@@H](CC(=O)[C@H](C#N)c1ncc(Cl)n1C)CC(C)(C)C 1123336349 HBXXIQJIPFECPX-QWRGUYRKSA-N 295.814 3.712 30 20 CHED Cc1ccc(C(=O)NC2CCC(C(C)C)CC2)cc1C#N 1127040345 VFJCIJPNJRLJQG-UHFFFAOYSA-N 284.403 3.811 30 20 CHED Cc1ccc(F)cc1[C@@H](C)OC(=O)c1sccc1C#N 1127735828 MMDLPBGTHFGIDY-SNVBAGLBSA-N 289.331 3.985 30 20 CHED CC1(C)C[C@]1(NC(=O)c1cc(C#N)cs1)c1ccccc1 1131467286 VYRPMUFEFZQCBO-KRWDZBQOSA-N 296.395 3.675 30 20 CHED C[C@@H](N(C)C(=O)[C@H](C#N)CCc1ccccc1)C(C)(C)C 1142771530 JFQMWAYAKXTOFI-ZBFHGGJFSA-N 286.419 3.652 30 20 CHED N#Cc1ccnc(COc2c(Cl)cccc2Cl)c1 1164595815 JHCWJOPCEMAXBE-UHFFFAOYSA-N 279.126 3.839 30 20 CHED N#CCC1(CN2CCC[C@H](Cc3ccccc3)C2)CC1 1167332191 HTQSSLOADSRPLD-QGZVFWFLSA-N 268.404 3.635 30 20 CHED CC(C)(CNCc1cc(C#N)ccc1F)Oc1ccccc1 1183822799 MWRXEKLKKPCAEZ-UHFFFAOYSA-N 298.361 3.645 30 20 CHED CCC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C#N)C1 1251879207 PTRMWDBTXGSBFH-BZUAXINKSA-N 291.439 3.538 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C(C)(C)CC)o1 1262712205 WXGDHEKYWFKMRG-LBPRGKRZSA-N 263.385 3.692 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(Cl)nc1 1263637710 ZIOSAZDVURLIHT-GFCCVEGCSA-N 279.771 3.698 30 20 CHED Cc1cccc2c1CC[C@@H]2NCc1cccc(OCC#N)c1 1319895594 KHAMKUKZFFCXGO-IBGZPJMESA-N 292.382 3.675 30 20 CHED N#CC1(c2ccccc2)CC(NC[C@@H]2CCC(F)(F)C2)C1 1321261495 FYCUHLOLHFESPY-IUDNXUCKSA-N 290.357 3.635 30 20 CHED N#Cc1ccccc1/C=C/c1nnc(-c2ccccc2F)o1 1324004062 GZMVNCPBUGQWQA-MDZDMXLPSA-N 291.285 3.918 30 20 CHED C=CCC(C)(C)CNCc1ccc(-c2cnn(C)c2)cc1 1324334867 AWXJFOSKGKRYNV-UHFFFAOYSA-N 283.419 3.779 30 20 CHED C[C@@H]1CCCC[C@@H]1c1nnc(-c2ccc(C#N)cc2)o1 1327353376 JGIBCSDFWPMDHH-RISCZKNCSA-N 267.332 3.902 30 20 CHED C[C@H]1CCCC[C@@H]1Cc1nnc(-c2cccc(C#N)c2)o1 1327809030 XJMPQJTXYLELDV-GXTWGEPZSA-N 281.359 3.977 30 20 CHED C=C(C)CCc1noc(-c2ccc(-c3nc(C)no3)cc2)n1 1327859213 XAIROCVBMREQPZ-UHFFFAOYSA-N 296.330 3.604 30 20 CHED CCN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@H](C)C#N 1328431036 AZFHFPYRAWPGHN-CQSZACIVSA-N 286.419 3.677 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCc2ccc(C#N)s2)n1 1330828198 HLNDIPGNRMUOHJ-UHFFFAOYSA-N 297.383 3.763 30 20 CHED Cc1ccncc1[C@H](C)NCCCCC1(C#N)CCC1 1332847675 HHOUFRKBPBLFEQ-HNNXBMFYSA-N 271.408 3.905 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)c2ccccc21 1336215117 BEQVJVYBGIJUDP-YOEHRIQHSA-N 297.398 3.704 30 20 CHED C=CCC[C@H]1CCCN1c1ncnc2c1cnn2C(C)(C)C 1336769354 ZBKCHWVYMJHITG-ZDUSSCGKSA-N 299.422 3.516 30 20 CHED C=C(C)CCC(=O)NCCc1coc(-c2ccc(C)cc2)n1 1337060492 QNPVAUSRFYNYLD-UHFFFAOYSA-N 298.386 3.665 30 20 CHED C=C(C)CCC(=O)N(Cc1cccs1)CC(F)(F)F 1337973361 JKPOXFKWGQPVAE-UHFFFAOYSA-N 291.338 3.995 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCC[C@H]1CCC 1340531519 QJZWEGCZRYIJTM-QWHCGFSZSA-N 294.468 3.657 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)C[C@@H]1CCCCC1(C)C 1345646143 FZJTVMGQIVICGB-UONOGXRCSA-N 287.407 3.686 30 20 CHED C=C(CC)C(=O)N1CCC(=Cc2cccc(OC)c2)CC1 1351644676 FFPWRXBYKLLPBX-UHFFFAOYSA-N 285.387 3.667 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C#N)c1C 1358365250 KQVVQYQXLADUPZ-YOEHRIQHSA-N 284.403 3.955 30 20 CHED CO[C@](C)(CN1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC1 1461880080 IYAYFMPEFVAIPG-GUDVDZBRSA-N 298.430 3.573 30 20 CHED CSCc1cccc(NC(=O)c2ccccc2CC#N)c1 1464903309 DOGWJCHKKXTIIU-UHFFFAOYSA-N 296.395 3.868 30 20 CHED CC(C)(C)[C@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 1472766666 XVFSYOJTMDSWHO-VIFPVBQESA-N 283.828 3.931 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(F)c1 1520123201 DFRBPXGUQAETEB-AWEZNQCLSA-N 262.328 3.788 30 20 CHED Cc1ccc(F)c(CC(=O)Nc2scc(C)c2C#N)c1 1525498809 VWXVXRPIUSFUAT-UHFFFAOYSA-N 288.347 3.557 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2ccc(C#N)c(F)c2)CC[C@H]1C 1527517251 XCTNVJBWRJSRGO-GRYCIOLGSA-N 274.339 3.708 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(C#N)c(F)cc1F 1544828853 KPHIJHMBUITBGD-RFAUZJTJSA-N 278.302 3.601 30 20 CHED Cc1cc(N2CCC[C@@H](C(C)C)CC2)ncc1C#N 1559108823 ZFVCVDVISAFXIV-CQSZACIVSA-N 257.381 3.524 30 20 CHED CC[C@H]1CCCC[C@@H]1CNCc1ccc(OC)c(C#N)c1 1560489007 VXVJEHQINIKMOM-JKSUJKDBSA-N 286.419 3.873 30 20 CHED C=CC[C@@H](C(=O)O)N(C)Cc1ccccc1-c1ccccc1 1573350176 FDKTXGRSROPJGA-SFHVURJKSA-N 295.382 3.815 30 20 CHED CC[C@H](C(=O)Nc1cc(C#N)cc(C)n1)c1ccc(F)cc1 1595472151 KRFCMVIXWQUTBD-HNNXBMFYSA-N 297.333 3.533 30 20 CHED N#Cc1ccc(F)cc1Sc1ccc(C(=O)O)cc1 1608205799 AFVMCAHFHQWLKK-UHFFFAOYSA-N 273.288 3.547 30 20 CHED CC(C)CC[C@@H]1CCCN1Cc1cccc(C#N)c1 1616310370 ZSFIXCNINLMCKX-KRWDZBQOSA-N 256.393 3.959 30 20 CHED CC(C)C[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 1642268602 IGPJFZAGPHTRHH-GOSISDBHSA-N 270.420 3.859 30 20 CHED N#Cc1ccc(CSc2cccc(F)c2C#N)s1 1652010489 ICBIYMRABIVPGM-UHFFFAOYSA-N 274.345 3.923 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2cc(C)c(C#N)cn2)c1 1655188395 LCCXTAUWOXWHCJ-HNNXBMFYSA-N 279.387 3.922 30 20 CHED CCCOc1ccc(Nc2ccc(C#N)c(C)n2)cc1OC 1655736481 VGGTWAGNJYPOBJ-UHFFFAOYSA-N 297.358 3.803 30 20 CHED CCn1c(NCC(C)(C)CCC#N)nc2ccc(F)cc21 1663480095 YFYSYJNKBAIDCC-UHFFFAOYSA-N 288.370 3.937 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCC[C@@H](C)CC2)c1 1672776187 WLZWOFOZQZDZDK-IUODEOHRSA-N 285.391 3.957 30 20 CHED O=C(O)c1ccc(NN=Cc2ccc(F)c3ccoc23)cc1 1776014716 ZXRLUIYSPRQRMO-UHFFFAOYSA-N 298.273 3.716 30 20 CHED C=C(C)CCC(C)=NNc1ccc(C(=O)O)cc1OC 1776051307 FLWHUIDIPMLVPS-UHFFFAOYSA-N 276.336 3.538 30 20 CHED C[C@H]1CC[C@@H](C)C(=NNc2ccc(F)c(C(=O)O)c2)C1 1776063567 XHDXBUOMSJXROY-VHSXEESVSA-N 278.327 3.748 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(/C=C/C(=O)O)o2)c1 1776126926 BIQMARNBSJQTLQ-FIFLTTCUSA-N 282.295 3.582 30 20 CHED C=CC[C@@]1(C(=O)O)CCN([C@@H](CC)c2ccc(F)cc2)C1 1776158078 NHCPNJZIXHEOPT-DOTOQJQBSA-N 291.366 3.630 30 20 CHED C=CCC1(C(=O)O)CCN(CC2C[C@H](C)C[C@@H](C)C2)CC1 1776158506 UPWDIVZMNJOWDI-HUUCEWRRSA-N 293.451 3.802 30 20 CHED N#Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1Cl 14686228 CVXBOMRORTVVRE-UHFFFAOYSA-N 288.709 3.532 30 20 CHED Cc1ccc(C)c(NCc2ccc(C#N)cc2F)c1 20056047 BYQPYEGBJHJHEF-UHFFFAOYSA-N 254.308 3.926 30 20 CHED O=C1/C(=C\c2cccs2)COC/C1=C/c1cccs1 33385104 GEWCSDVIGVPBJG-OXAWKVHCSA-N 288.393 3.876 30 20 CHED C=CCN(C(=O)c1csc(Br)c1)C(C)C 37501914 YQZRUSMVARXHJY-UHFFFAOYSA-N 288.210 3.547 30 20 CHED C#Cc1cccc(NC(=O)c2ccc(F)cc2Cl)c1 41636814 HZBWCQWYSARYEZ-UHFFFAOYSA-N 273.694 3.713 30 20 CHED CN(CCCCC#N)Cc1ccccc1Br 42223492 KJEMIRADKNCDSG-UHFFFAOYSA-N 281.197 3.575 30 20 CHED Cc1ccc2oc(C(=O)Nc3ccc(C#N)cc3)cc2c1 42273651 CLDKJTDPBKROMO-UHFFFAOYSA-N 276.295 3.865 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2ccc(C#N)cc2)cc1 45026856 DZYBVCNXVZACCZ-UHFFFAOYSA-N 279.343 3.531 30 20 CHED N#Cc1cccc(OCCN2CCC[C@@H]2c2ccccc2)c1 51180660 SPEDUONJEJLNCQ-LJQANCHMSA-N 292.382 3.774 30 20 CHED C=CCOc1cccc(NC(=O)c2c(F)cccc2F)c1 56337283 BKDQUMKWJYYCLW-UHFFFAOYSA-N 289.281 3.782 30 20 CHED C[C@H](C#N)CN(C)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 65880825 WBFUUUNUFOZQEU-HMDXOVGESA-N 297.185 3.625 30 20 CHED C[C@H]1CC=CC[C@@H]1COC(=O)C1(C#N)CCCCC1 72029733 FOJJLYJBVZKSRF-UONOGXRCSA-N 261.365 3.606 30 20 CHED Cc1cccc(NC(=O)c2cccc(C#N)c2)c1Cl 73345869 XUMRREVSVBVXSY-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 75308838 HHXYHBXLOJEBLY-KGLIPLIRSA-N 287.407 3.524 30 20 CHED C#Cc1cccc(N(C(=O)c2ccc(C)o2)C(C)C)c1 77293970 FSXISFFJTUUSDU-UHFFFAOYSA-N 267.328 3.625 30 20 CHED C=CCOCCCC(=O)Nc1ccc(OC(C)C)c(C)c1 80481517 JASSBWHIKRKTKT-UHFFFAOYSA-N 291.391 3.704 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCCc1cc(C)sc1C 84583369 YIMLNDPCUUNIDW-LBPRGKRZSA-N 292.448 3.696 30 20 CHED N#CCC[C@H](NC1CCSCC1)c1ccccc1 90665532 GFRDFUPSVGSBMP-HNNXBMFYSA-N 260.406 3.517 30 20 CHED N#Cc1cccc(OCCn2cc(-c3ccccc3)cn2)c1 101799104 RFQKFFMJQGQZTD-UHFFFAOYSA-N 289.338 3.501 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccccc1Br 104968965 ORLQKLHTOSSMDL-UHFFFAOYSA-N 297.196 3.879 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1nc(C)cs1 105503475 UPIOJTSLLSKCFZ-CQSZACIVSA-N 271.389 3.564 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(O[C@H](C)CC)cc1 117003255 MWGOJRKKZRNQKX-CHWSQXEVSA-N 276.380 3.950 30 20 CHED CC(C)n1cnnc1S[C@@H](C)c1ccc(C#N)cc1 118170914 JMFOEPWOQTUJHP-NSHDSACASA-N 272.377 3.584 30 20 CHED C[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 119623288 VJMNITABAHEONB-VNHYZAJKSA-N 270.376 3.562 30 20 CHED Cn1ccnc1-c1cccc(NCc2cc(C#N)cs2)c1 120001300 YHVVBGROOSLESK-UHFFFAOYSA-N 294.383 3.632 30 20 CHED N#CCOc1cc(F)ccc1NC(=O)CC1=CCCCC1 120553859 YVQGSNDATKJGJQ-UHFFFAOYSA-N 288.322 3.557 30 20 CHED C=CCN(C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 121218775 SZMWGHBFGZPCJI-UHFFFAOYSA-N 276.767 3.921 30 20 CHED C=CCC[C@@H](NCc1sc(C)nc1C)C1CC1 121373253 WMWIHXHIUBWVFB-CYBMUJFWSA-N 250.411 3.594 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccnn1Cc1ccccc1 121557905 GBWNQSNRIWORDW-UHFFFAOYSA-N 295.386 3.638 30 20 CHED CCC[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CCO1 128547696 XAGHSGPUXQVHFP-LBPRGKRZSA-N 298.308 3.582 30 20 CHED C=CCCOc1ccccc1C(=O)Nc1ccccc1 128585102 MMSYZDAHNALJND-UHFFFAOYSA-N 267.328 3.894 30 20 CHED CN1CCCN(CCCCC#N)c2cc(Cl)ccc21 128594621 VSGJWFGGEVYKPW-UHFFFAOYSA-N 277.799 3.680 30 20 CHED C=CCSCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 129037814 IUAIIYSOJSVTOT-LLVKDONJSA-N 283.824 3.779 30 20 CHED CC(C)(C)CCNc1nc(C(F)(F)F)ccc1C#N 134679234 AYWRJXGVEAIYFN-UHFFFAOYSA-N 271.286 3.820 30 20 CHED N#CCCN1CCC[C@@H]1c1cccc2ccccc12 142748958 HMSDJPWMNIWQFJ-QGZVFWFLSA-N 250.345 3.890 30 20 CHED CCCCCCCCOC(=O)c1ccc(CO)cc1 143328512 VESQTBZTRXPHEL-UHFFFAOYSA-N 264.365 3.696 30 20 CHED C=CCCS[C@H](C)C(=O)N(CC)Cc1ccccc1 151969126 HWLQYOOIJZZXFL-CQSZACIVSA-N 277.433 3.733 30 20 CHED N#Cc1cc(NCc2ccccn2)ccc1C(F)(F)F 154038334 VSAGCQPXWXGJMH-UHFFFAOYSA-N 277.249 3.584 30 20 CHED Cc1ccc(NC(=O)c2cccc(OCCC#N)c2)cc1 154872311 XSFBYRPHFFQEQX-UHFFFAOYSA-N 280.327 3.540 30 20 CHED Cc1ccccc1NCc1ccc(O[C@H](C)C#N)cc1 155322252 FCKTUQBSICVQGT-CQSZACIVSA-N 266.344 3.898 30 20 CHED CCN(C[C@H](C)C#N)C(=O)C[C@@H]1CCCCC1(C)C 158719770 BGEIRXPFVVOWDM-KGLIPLIRSA-N 264.413 3.601 30 20 CHED C=CCN(C)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 161396761 MLHDHTMYEYVRBG-QWHCGFSZSA-N 284.186 3.741 30 20 CHED C=CCN(C(=O)c1cccc(Br)c1)C(C)(C)C 165369069 HUHWAPOXBIIVCR-UHFFFAOYSA-N 296.208 3.876 30 20 CHED Cc1csc(SCc2ccc(C#N)cc2C)n1 165994724 HUNHUPREYZHWSJ-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C=CCN(CCc1scnc1C)Cc1cccc(C#N)c1 172530482 RXCAKKUANBSXME-UHFFFAOYSA-N 297.427 3.554 30 20 CHED CCCCCC[C@H](C)C(=O)N[C@](C)(C#N)C(C)C 173371376 QIYSNIKRTMKNAD-DZGCQCFKSA-N 252.402 3.647 30 20 CHED CCC[C@H](C)C(=O)N(C)c1cc(Cl)ccc1C#N 176431418 SZSWZFNDXAJKPP-JTQLQIEISA-N 264.756 3.611 30 20 CHED CCC1(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC1 176491008 BMQGBBJJMABJEQ-UHFFFAOYSA-N 285.391 3.942 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1cc2ccccc2o1 179650217 SAXAWDRELKTLIK-ZDUSSCGKSA-N 269.344 3.804 30 20 CHED C#CCCCCC(=O)N(CC)c1ccc(F)c(F)c1 179732387 ACOIYJCTCOVHEU-UHFFFAOYSA-N 265.303 3.511 30 20 CHED Cc1ccc(C)c(C(=O)CCC(=O)O[C@@H]2CC[C@@H](C#N)C2)c1 179920725 HPIUJFNANDCJJS-HUUCEWRRSA-N 299.370 3.502 30 20 CHED COc1cc([C@H](C)NCCCC#N)ccc1OCC(C)C 180099297 VQFGZBPHCRAFSZ-AWEZNQCLSA-N 290.407 3.684 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](OCCC)CC1 181120867 MJXHWJRWBOPTLF-CVEARBPZSA-N 296.455 3.722 30 20 CHED C=C(C)CN(C)Cc1cn2cc(Cl)cc(Cl)c2n1 181304260 ABNJWPRMJLNUAK-UHFFFAOYSA-N 284.190 3.649 30 20 CHED C=CCCC[C@@H](C)NC(=O)N(C)CCc1cccs1 181374155 LAYQGKCFZYQNDW-CYBMUJFWSA-N 280.437 3.677 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H]1CCCOCC1 181780512 XNMNCFLRRJCBGG-INIZCTEOSA-N 298.471 3.948 30 20 CHED C=CCC[C@H](Nc1ccc(OCC)c(CO)c1)C1CC1 182903216 YRLTXILFPHEMMM-INIZCTEOSA-N 275.392 3.734 30 20 CHED C=CCCCSCc1cc(-c2cnn(C)c2C)no1 185561194 RNCXHJOMBBUMOF-UHFFFAOYSA-N 277.393 3.583 30 20 CHED C=C(C)[C@@H](N[C@H](C)[C@@H]1CCOC1)c1ccc(F)c(F)c1 186450818 YRMXJAVWXVCBMV-AXAPSJFSSA-N 281.346 3.597 30 20 CHED C#CCCCCC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 187777375 GRNVJLUOSQGEPG-ZWKOTPCHSA-N 283.415 3.708 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@@H](OCC)C1CCCC1 188481263 JTOIDVRGGWUYME-NVXWUHKLSA-N 281.440 3.690 30 20 CHED CC(C)[C@H](CNC(=O)C1(C#N)CCCC1)Cc1ccccc1 188785690 PETHLMLAQWMKDS-KRWDZBQOSA-N 298.430 3.701 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2cc(F)ccc2OC)CCC1 188896900 ZVRHKGNKFNJQSE-GFCCVEGCSA-N 291.366 3.758 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1F 189347382 FKLQUJWQUPHKHC-CYBMUJFWSA-N 268.335 3.890 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC(F)F)cc1 189797556 IXYYMRHWOOOEFK-CQSZACIVSA-N 269.291 3.829 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCO[C@H](C)c1ccccc1 189927003 GPTNXVQFNRKBJJ-CRAIPNDOSA-N 289.419 3.873 30 20 CHED C=CCSCCNC(=O)c1ccc(C2CCC2)cc1 190483793 UTLYFYYFXDWUEW-UHFFFAOYSA-N 275.417 3.603 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CCC1 191909229 RNGYCVGVFJQRAW-CABCVRRESA-N 293.451 3.690 30 20 CHED C#CCCCC(=O)N(C)Cc1ccc(C(C)C)cc1 192121180 VYTSQMIMMMZRPI-UHFFFAOYSA-N 257.377 3.572 30 20 CHED C=CCCCCCSc1nnc(C(F)F)n1C 195444880 UVMZKWXUBFDMJV-UHFFFAOYSA-N 261.341 3.591 30 20 CHED Cc1ccc(Nc2nccc(C#N)c2Cl)cc1F 235881617 DGCVSFBMGWHBSA-UHFFFAOYSA-N 261.687 3.798 30 20 CHED N#Cc1cccc(NCc2ccc3cnccc3c2)c1 236275915 OMVBOHZLMFEIBE-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C=C(C)CNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 250143202 ZIAZHOYAGOQIPX-JENIJYKNSA-N 283.415 3.728 30 20 CHED C[C@@H](C=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1 252617256 KPKLTYVCSMKXQN-LBPRGKRZSA-N 269.304 3.796 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1)c1ccco1 255414692 ZBATTXZTLOGYKA-XQRVVYSFSA-N 250.656 3.968 30 20 CHED CC(=NOCc1ccc2ccccc2c1)c1cnn(C)c1 255891784 VSSXRPYZGPJQNX-UHFFFAOYSA-N 279.343 3.514 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1CC1 264537269 LATQKAIOVWXYQG-NSHDSACASA-N 289.404 3.612 30 20 CHED CCCCc1noc(CNc2ccc(C#N)cc2Cl)n1 268975653 POYPOAIKOJBTBV-UHFFFAOYSA-N 290.754 3.549 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cccc2ncccc12)OCC 270129076 GUBVYDBIUVGLSP-MRXNPFEDSA-N 285.343 3.512 30 20 CHED C=CCN(C(=O)c1ccc(SC(C)C)cc1)C1CC1 271447819 DHENGGFHHIIBLF-UHFFFAOYSA-N 275.417 3.978 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cnn(C(C)C)c1)c1ccccc1 271537260 QKZDJDKUOSYRHO-MAUKXSAKSA-N 281.403 3.879 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1cc(Br)ncc1F 273902229 WAPTZJSFYFJCTE-BDAKNGLRSA-N 287.176 3.598 30 20 CHED CCCOc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 276978159 RWLBLESSUMEXDA-CQSZACIVSA-N 297.402 3.536 30 20 CHED CC(C)c1ccc(-c2noc(C3(C#N)CCCC3)n2)cn1 277946384 LJQFMSFFXYOLHV-UHFFFAOYSA-N 282.347 3.590 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(C)s1 280788517 JDSLNYZIRLDMGZ-GUTXKFCHSA-N 265.422 3.688 30 20 CHED N#CCCCC[S@@](=O)Cc1cccc(C(F)F)c1 280965749 KWIYSLNWRREYKW-GOSISDBHSA-N 271.332 3.567 30 20 CHED C=CCCO[C@@H](C)c1nc([C@@H]2CCC(F)(F)C2)no1 281347237 KHAUJDWXAGQOME-VHSXEESVSA-N 272.295 3.626 30 20 CHED CC1(C)CC[C@H](CNC(=O)CCCC#N)c2ccccc21 291820630 CXNLBWMHMAWBJS-CQSZACIVSA-N 284.403 3.652 30 20 CHED C#CCN(C(=O)Nc1c(CC)cc(C)cc1CC)C1CC1 297054119 JEWRDTRVHFEJFV-UHFFFAOYSA-N 284.403 3.749 30 20 CHED CC(C)[C@@H]1OCCC[C@H]1CNc1cccc(F)c1C#N 301591171 QQADYFMQCJCEBR-LRDDRELGSA-N 276.355 3.560 30 20 CHED CCCCN(CC)c1ccc2cc(C#N)ccc2n1 301988212 WANQSIQMQBOEIZ-UHFFFAOYSA-N 253.349 3.733 30 20 CHED N#Cc1ccc(NCCC[C@@H]2CCCCO2)cc1Cl 302235896 VGOJZJQOHXMLPC-AWEZNQCLSA-N 278.783 3.973 30 20 CHED N#Cc1cc(F)ccc1NCCc1ccc(F)c(F)c1 302792029 YUXRPDWYSNOOTF-UHFFFAOYSA-N 276.261 3.630 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cc(F)ccc1O 311173833 SKTKDAUGADFUCJ-LLVKDONJSA-N 251.345 3.784 30 20 CHED COC1(CCNc2ccc(C#N)c(C(F)(F)F)c2)CCC1 314637190 XWGSOECJWGUCFR-UHFFFAOYSA-N 298.308 3.948 30 20 CHED Cc1nc2cc(N=C(O)[C@@H]3CCC(=O)[C@H](C)C3)ccc2o1 328910705 FUAQLKUCJWMMEJ-MWLCHTKSSA-N 286.331 3.730 30 20 CHED CCn1c(N=C(O)[C@H]2CCC(=O)[C@H](C)C2)nc2ccccc21 328951221 XDZAVAJIZFJKLX-NEPJUHHUSA-N 299.374 3.650 30 20 CHED CC1(C)CCC[C@H](C/C(O)=N/C2(c3nc[nH]n3)CCC2)C1 329264564 BXOJKAMIZKPWMX-GFCCVEGCSA-N 290.411 3.747 30 20 CHED COC1(C(O)=Nc2cnc3c(c2)CCCC3)CCCCC1 330030872 SEVFKIPWEPTKHB-UHFFFAOYSA-N 288.391 3.898 30 20 CHED CC[C@H](/N=C(/O)Nc1cccc(C)c1F)C1CCOCC1 330697665 VUFGBAGEPJXTHW-ZDUSSCGKSA-N 294.370 3.665 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N[C@H]1CCC[C@H]1C#N 334081532 OWGCGRYQBQIZML-HOTGVXAUSA-N 299.418 3.934 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1cccc2ccsc12 334375148 DDPOZSKKZMIVNI-JTQLQIEISA-N 273.361 3.667 30 20 CHED N#CCc1cccc(NC(=O)N[C@H]2CCCc3occc32)c1 334741223 QPPVYCCSJJAUOD-HNNXBMFYSA-N 295.342 3.545 30 20 CHED CC(F)(F)c1ccccc1N[C@H]1CC[C@@H](C#N)C1 336207536 XJUXWYKJBIWXJH-MNOVXSKESA-N 250.292 3.902 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 336419378 VDAJWCZRZWPFBI-OAHLLOKOSA-N 296.374 3.649 30 20 CHED C=CCN(Cc1ccccc1F)Cc1ccnn1C(C)C 337144567 WRFOPNKNQFFGFO-UHFFFAOYSA-N 287.382 3.791 30 20 CHED C=C[C@@H](C)NC(=O)CCSc1cccc(Cl)c1 342120380 HZWYBVJGCNZXNN-SNVBAGLBSA-N 269.797 3.513 30 20 CHED Cc1cccc(O[C@H](C)CNc2snc(C)c2C#N)c1 342289912 GNTKVCSQGVDXNT-LLVKDONJSA-N 287.388 3.511 30 20 CHED N#Cc1ccc(SCCOC2CCC2)c(Cl)c1 344094746 DDQVWLRNDHPLEC-UHFFFAOYSA-N 267.781 3.873 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C1CCC(C)(C)CC1 344521234 OHHIHZKKIYTUGD-UHFFFAOYSA-N 278.440 3.991 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1oc(C(C)C)nc1C 345486628 JQVQGLBPEDLXAK-LLVKDONJSA-N 264.369 3.581 30 20 CHED C=CCN(Cc1ccc(CC)nc1)Cc1ccccc1F 347659846 JTJHFAFDOOQMAG-UHFFFAOYSA-N 284.378 3.971 30 20 CHED CCCC1(C(=O)Nc2nc(C)c(SCC#N)s2)CC1 348915164 WWHZYICJHDUWJE-UHFFFAOYSA-N 295.433 3.586 30 20 CHED CCOc1ccccc1CNc1nc(C)cc(C)c1C#N 350220296 LYULBBAFLAZIRY-UHFFFAOYSA-N 281.359 3.581 30 20 CHED CC(C)Oc1cc(F)ccc1NC(=O)c1cccc(C#N)c1 352802074 CYLVGKDHCFMVFG-UHFFFAOYSA-N 298.317 3.737 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2F)C1 352892966 LTYRZGFJSQTNGX-CABCVRRESA-N 292.423 3.803 30 20 CHED C=CCCC1(C(=O)N(C)C[C@@H]2OCCc3ccccc32)CC1 355443225 LGGCBCVJLFWTRX-KRWDZBQOSA-N 299.414 3.505 30 20 CHED CC[C@H](C)c1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)on1 356491401 CLEIJMFKOWXXDU-RYUDHWBXSA-N 297.358 3.551 30 20 CHED Cc1csc(-c2noc(/C=C/c3ccc(C#N)cc3)n2)n1 356672190 AETMXPPIWVOXRG-VOTSOKGWSA-N 294.339 3.544 30 20 CHED N#Cc1ncccc1NCCCc1c[nH]c2ccc(F)cc12 357524594 CJBQZDXSYFIHAV-UHFFFAOYSA-N 294.333 3.618 30 20 CHED C=CCOCCCSCc1ccc(C#N)cc1F 359123913 SAUGTQWHRWUBBU-UHFFFAOYSA-N 265.353 3.523 30 20 CHED N#CCCCC(=O)NCCc1cccc(-c2ccccc2)c1 360377462 JGSZFZVJYDYCSE-UHFFFAOYSA-N 292.382 3.706 30 20 CHED Cc1nc(-c2ccccc2)c(NC(=O)CCCC#N)s1 361734193 JZSOHDKLCCKZGU-UHFFFAOYSA-N 285.372 3.751 30 20 CHED C=CCN(C(=O)C1(Cc2cccc(F)c2)CCC1)C1CC1 361891667 XWXFJCBEDFUBOR-UHFFFAOYSA-N 287.378 3.716 30 20 CHED C=CCC1(C(=O)N(C)[C@H]2C[C@@H](OCC)C23CCC3)CCC1 361933501 AXXGWEXLGCCJII-LSDHHAIUSA-N 291.435 3.539 30 20 CHED CC(C)(CCC#N)CNCc1ncoc1-c1ccccc1 370558265 OOYFZHUFUNDQDS-UHFFFAOYSA-N 283.375 3.761 30 20 CHED C=CCCC[C@@H](C)NCc1cc(F)ccc1OC 398178146 NDDNITCYCVGNHP-GFCCVEGCSA-N 251.345 3.669 30 20 CHED CCN(Cc1cccc(Br)c1)[C@@H](C)CCC#N 411196943 CIEHZCMOZGBTIL-LBPRGKRZSA-N 295.224 3.963 30 20 CHED CSc1ccc([C@@H](C)NCC2(C#N)CCC2)cc1F 418143571 QJEDVIWBFCCSIX-LLVKDONJSA-N 278.396 3.892 30 20 CHED CC(C)c1nnc(CSCCC(C)(C)C#N)s1 419473800 KGKNLYNDYUYVHR-UHFFFAOYSA-N 269.439 3.835 30 20 CHED CC(C)[C@H](C)N(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 419610581 ANQIELLWLMSRDU-SUMWQHHRSA-N 299.418 3.622 30 20 CHED N#Cc1ccc(CNC(=O)CCC2CCCCC2)s1 421604284 YRWAMWUTLZHGNE-UHFFFAOYSA-N 276.405 3.596 30 20 CHED C=CCCC1(c2nc(Cc3ccncc3Cl)no2)CC1 424356144 SQGGUWGYLCPAKW-UHFFFAOYSA-N 289.766 3.707 30 20 CHED C[C@@H](Nc1ncc2c(c1C#N)CCC2)c1cccs1 425197427 BXQUXRVWLYJAAK-SNVBAGLBSA-N 269.373 3.677 30 20 CHED C[C@H](CCCC(F)(F)F)NC(=O)c1cccc(CC#N)c1 427746299 ZYQCRXRZRUSRGK-LLVKDONJSA-N 298.308 3.604 30 20 CHED C=CCN1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 428796497 YJKQSJMFTYTDGY-RISCZKNCSA-N 285.309 3.653 30 20 CHED CC(C)(C)c1ccc(NC(=O)NCC2(CC#N)CC2)cc1 431192991 NHQSNNLMNAJVFS-UHFFFAOYSA-N 285.391 3.799 30 20 CHED CCSc1cccc(NC(=O)NCC2(CC#N)CC2)c1 432161999 KQEDGIXWMLRKKR-UHFFFAOYSA-N 289.404 3.614 30 20 CHED C=CC[C@@H](CC)Nc1ncnc2cc(F)c(F)cc12 440639637 QAQIKMDQKCAVEQ-SECBINFHSA-N 263.291 3.675 30 20 CHED COc1cc(CN2CCC[C@H]2c2ccccc2)ccc1C#N 442808639 ICKXFFUVRUNOCY-SFHVURJKSA-N 292.382 3.904 30 20 CHED Cc1ccc(C#N)cc1NCc1cnc(C(F)(F)F)s1 446809379 IJZRDEXESSVTJZ-UHFFFAOYSA-N 297.305 3.954 30 20 CHED N#CCCCOc1cccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1 448732317 LCDVFLFFRMZEPN-ZQIUZPCESA-N 298.386 3.744 30 20 CHED C=CC(C)(C)C(=O)NCC(C)(C)c1ccccc1C 448857030 DAYHLJPTSYLNNU-UHFFFAOYSA-N 259.393 3.601 30 20 CHED C=CCC1(C(=O)N[C@H]2CCCSC2)CCCCC1 450041489 IITVZBDBYDYBOK-ZDUSSCGKSA-N 267.438 3.525 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CC(F)(F)C1 450450853 HRUYXRVBVOZLQA-HZPDHXFCSA-N 290.357 3.803 30 20 CHED C[C@H](c1nc2ccccc2s1)N(C)CC1(C#N)CCC1 450505725 DVHBVNJTWBVDSA-GFCCVEGCSA-N 285.416 3.983 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1c1cc(C#N)ccn1 450917834 YKDWNRDCBOKDMT-INIZCTEOSA-N 281.334 3.742 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@H](C)O[C@H]1C)c1ccccc1 451140730 CHYBFFKWORBAQQ-NXNVCVFFSA-N 259.393 3.849 30 20 CHED CCC[C@@H](NCCCC1(C#N)CCOCC1)C(C)(C)C 451443580 ZQXHJCUGRWTPAD-OAHLLOKOSA-N 280.456 3.891 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccccc1Cl 452776802 LSBTWGANYOYQQF-UHFFFAOYSA-N 265.784 3.601 30 20 CHED C=CCC[C@@H](NCC(C)(C)C1(O)CCCC1)C1CC1 453389557 RTKGNLQMMSVAJN-OAHLLOKOSA-N 265.441 3.652 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccccc1Cl 454162828 QLNZHWAJHYCYEM-LLVKDONJSA-N 266.772 3.666 30 20 CHED C=CCCCCNC(=O)NC[C@@H]1CSc2ccccc21 454821838 VNAICOQXLDWJBM-CYBMUJFWSA-N 290.432 3.531 30 20 CHED C=C(CC)CNC(=O)Nc1cc(OCC)ccc1Cl 455753121 JRAGRDCYJMHKOQ-UHFFFAOYSA-N 282.771 3.826 30 20 CHED C=CCC1(NC(=O)[C@H]2C[C@H](C)O[C@H](C)C2)CCCCC1 456357854 AFMAFZJDFZCJFU-QDMKHBRRSA-N 279.424 3.585 30 20 CHED C=CC(C)(C)CNC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 458992879 WVEGECCLNPQCRU-STQMWFEESA-N 266.429 3.807 30 20 CHED CC(C)(CC#N)CNC/C=C/c1ccc(F)c(F)c1 459683511 BBFHVXGWVQMBHV-ONEGZZNKSA-N 264.319 3.507 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H]2CCC[C@@H]21 460959424 OUMVWNOCXLWERD-ILXRZTDVSA-N 288.439 3.747 30 20 CHED Cc1cc(F)cc2c(=N[C@@H]3CCC[C@@H]3C)c(C#N)c[nH]c12 462822879 XLRIVNYBZBFRFQ-ZUZCIYMTSA-N 283.350 3.576 30 20 CHED CCC1(CC)CN(c2ncc(C#N)cc2Cl)CCS1 463736777 KDRUFGLTTPOBAB-UHFFFAOYSA-N 295.839 3.719 30 20 CHED C=C[C@@H](C)NC(=O)N1CC[C@@](C)(CCc2ccccc2)C1 464749731 FEWDCXDVCBBRNE-CRAIPNDOSA-N 286.419 3.615 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(Cl)cc1Cl 464901572 HGJCYLVXNQTSKN-ZETCQYMHSA-N 259.136 3.689 30 20 CHED C[C@@H](CC1CCCC1)NCCc1cccc(C#N)c1 467430424 QQHGASOYSTURKO-AWEZNQCLSA-N 256.393 3.659 30 20 CHED CCC(CC)N(CC(C)C)C(=O)CC(C)(C)C#N 469535424 LVMBNQVPPVGOQE-UHFFFAOYSA-N 252.402 3.599 30 20 CHED C=C[C@@](C)(O)CC(=O)Nc1ccccc1Nc1ccccc1 469879539 FZXVMFPLAKOPPR-GOSISDBHSA-N 296.370 3.696 30 20 CHED C=CCn1c(SC[C@H]2CC[C@H](C)O2)nc2ccccc21 473402947 SOHYDOPMAIEHAQ-QWHCGFSZSA-N 288.416 3.882 30 20 CHED C[C@H]1CN(Cc2ccc(Cl)cc2C#N)C(C)(C)C1 480546859 BDNUVUFLKFQDQX-LLVKDONJSA-N 262.784 3.832 30 20 CHED N#Cc1ccc(N2CC[C@H](c3ccc(F)cc3)C2)cc1 480780181 MSJHIKWWKCYTOH-HNNXBMFYSA-N 266.319 3.691 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cc(C)cc(C)c1 485601859 SWCIEVLSELXKLW-HNNXBMFYSA-N 258.365 3.876 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCCc3cccs3)c2c1 487893889 IPHZTCPDVBFEBC-UHFFFAOYSA-N 293.395 3.553 30 20 CHED C=CCC(CC=C)C(=O)Nc1ncc2c(n1)CCC(C)(C)C2 488225091 BMZKZYZOIVHHLK-UHFFFAOYSA-N 299.418 3.698 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc2ccc(F)cc2[nH]1 488286496 AYCUPGSIQNQHCV-UHFFFAOYSA-N 293.345 3.811 30 20 CHED C=CCn1cccc1C(=O)Nc1ncc(C(C)C)s1 488772362 ZEIZJOKYGRMZQP-UHFFFAOYSA-N 275.377 3.506 30 20 CHED C=CCCCCNC(=O)N1CC2(CCC2)[C@H]1C(C)C 490204936 VVXYOWDTIUMHBQ-CQSZACIVSA-N 264.413 3.563 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 491623019 FOOWWFAKFIMZAD-CHWSQXEVSA-N 298.361 3.703 30 20 CHED CC(C)CN(C(=O)OCCCF)c1ccc(C#N)cc1 496256473 PPXHODQKTLVHCH-UHFFFAOYSA-N 278.327 3.517 30 20 CHED C=CCCC(=O)N1CCC[C@]1(CCC)C(F)(F)F 499520326 LSICYQUYMCBYNK-GFCCVEGCSA-N 263.303 3.676 30 20 CHED C=C(C)CCSc1nnc(CCc2ccccc2)o1 505570106 DVJCKJPUFMUBJC-UHFFFAOYSA-N 274.389 3.913 30 20 CHED CCCCC1CCC(NC(=O)[C@](C)(C#N)CC)CC1 506848061 FMGBPHRYFJNQOO-XUJLQICISA-N 264.413 3.791 30 20 CHED C=CCSCCNC(=O)C(C)(C)c1ccc(CC)cc1 508874748 BBYGTVHUWXHZQZ-UHFFFAOYSA-N 291.460 3.562 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC(C)(C)CC1 508937673 ZAZJBPGWJIJICG-UHFFFAOYSA-N 296.418 3.758 30 20 CHED C=CC1CCN(C(=O)[C@H](C)Cn2ccc3ccccc32)CC1 511683715 SLTHTSFMUMFKLD-OAHLLOKOSA-N 296.414 3.702 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(Cc3ccc(C#N)cn3)C2)cc1 514871640 XWTVVTLVKPZKHM-YJBOKZPZSA-N 291.398 3.640 30 20 CHED CC(C)(C#N)CC[S@](=O)CC1(C)CCCCC1 515217091 JKNKLUUCKMYWJK-KRWDZBQOSA-N 255.427 3.645 30 20 CHED CC(C)N(CCC#N)CCCCCOc1ccccc1 525865566 SXLUXFZOEXRTGG-UHFFFAOYSA-N 274.408 3.860 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnc2c(cnn2C(C)C)c1 525953187 MJVMZARFHHSRGA-INIZCTEOSA-N 286.379 3.553 30 20 CHED C=CCCC1(C(=O)NCCOc2ccc(C)cc2C)CC1 526001825 NQARHWFCBSYABG-UHFFFAOYSA-N 287.403 3.545 30 20 CHED CC1(C)COc2cc(N[C@@H]3CCC[C@H](C#N)C3)ccc21 529641140 JGKJQPCJQLDMPO-QWHCGFSZSA-N 270.376 3.851 30 20 CHED C[C@H]1C[C@H](C)N(Cc2cccc(OCCCC#N)c2)C1 536681488 JQOHSNPQNMMRHI-GJZGRUSLSA-N 272.392 3.599 30 20 CHED COc1ccc([C@H]2CCCCCN2CC2(C#N)CC2)cc1 537261024 SGUJHROPTOBMNI-QGZVFWFLSA-N 284.403 3.916 30 20 CHED CC1(CNC(=O)c2ccc(C#N)s2)CCCCCC1 537345185 YATFLGVXDUZLJL-UHFFFAOYSA-N 276.405 3.710 30 20 CHED C=CCN1CC[C@H](S[C@H](C)c2ccc(Cl)cc2)C1=O 537502849 UKQHTBKLXIHTNT-RISCZKNCSA-N 295.835 3.921 30 20 CHED CCCCN1CCCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 540595028 SISKCAMMBZJIBR-QFBILLFUSA-N 299.462 3.863 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCC1CCCC1 546916297 LQBVZHNYEYYVFI-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED N#Cc1cccc(/C=C/c2nc([C@H]3Cc4ccccc43)no2)c1 546993771 DUYFOQBKCBAORG-IJDCCNJMSA-N 299.333 3.800 30 20 CHED C=CCOCCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 549041104 WJSKARKGPAKXMT-UHFFFAOYSA-N 299.326 3.843 30 20 CHED N#Cc1cccc(C2(NC(=O)[C@H]3CC34CCCCC4)CC2)c1 551976411 MJVRHPHFLUHFDD-MRXNPFEDSA-N 294.398 3.634 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)c1cc(C#N)ccn1 553407033 UZADTHZBGULQPW-QGZVFWFLSA-N 279.387 3.719 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](C(C)C)C1 555222508 NCNCZMXHNBKDGX-OAHLLOKOSA-N 290.455 3.850 30 20 CHED Cc1cc(C)c(C#N)c(NCCc2ccc(F)cc2F)n1 557698776 CHMUIZSUWLVCEQ-UHFFFAOYSA-N 287.313 3.503 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)CCC#N 558491327 ZRYHKLAUFZLAHQ-CABCVRRESA-N 293.455 3.974 30 20 CHED Cc1ccc([C@H]2CCN(c3cccnc3C#N)C2)c(C)c1 558608074 FVISVBDSGMQVRO-HNNXBMFYSA-N 277.371 3.564 30 20 CHED Cc1cc(Oc2ccc([N+](=O)[O-])cn2)c(C)c(C)c1C#N 561446111 PZYGIEUCROCJBH-UHFFFAOYSA-N 283.287 3.579 30 20 CHED CC#CCCCC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 569027122 JPKJXMCAJYXINF-LSDHHAIUSA-N 263.425 3.853 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CC12CCCC2 571267560 XXCAABYKVZEPHB-SJORKVTESA-N 294.398 3.632 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1ccc(C2CCCC2)cc1 571695345 VDMGFCHIRIPOCZ-CQSZACIVSA-N 284.403 3.966 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1cc2cccc(F)c2o1 573417799 GJDAPOLCRVJCDP-NWDGAFQWSA-N 285.322 3.666 30 20 CHED CC(C)CC1(C)CCN(c2ccncc2C#N)CC1 574430208 LKKDLZMJFOUDQK-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)C[C@H]1C 574962738 POARYENSZNWUDV-UKRRQHHQSA-N 296.418 3.674 30 20 CHED C[C@@H]1[C@@H](NC(=O)N2CCC(CCC#N)CC2)CCC[C@H]1C 575271182 RMGORLDKQRTTJW-YCPHGPKFSA-N 291.439 3.536 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1CC2(CCC2)C1 577281869 RCLFMVSSUSCNFR-KRWDZBQOSA-N 283.415 3.870 30 20 CHED Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1F 577525402 JDLUUWBGIRNZGC-MRXNPFEDSA-N 272.323 3.547 30 20 CHED N#CCC[C@H](C#N)CNC1CCC2(CCCCC2)CC1 577723196 JXNVEVZYPBJPFA-OAHLLOKOSA-N 273.424 3.913 30 20 CHED N#Cc1nccc(N[C@@H](c2ccccc2F)C2CCCC2)n1 579004193 GBBYKHXEYGBIKN-QGZVFWFLSA-N 296.349 3.831 30 20 CHED N#Cc1cccc(C2(N[C@H]3CCc4ccc(C#N)cc43)CC2)c1 582032322 CRJADWCCKUEEHV-IBGZPJMESA-N 299.377 3.696 30 20 CHED N#Cc1ccc(/C=C\c2nc(C3CC(F)(F)C3)no2)cc1 582104402 RKHFFHLMWMERBX-WAYWQWQTSA-N 287.269 3.624 30 20 CHED CCc1ccc(CN(C)c2nccc(C#N)c2Cl)cc1 582614191 SASLBKXDFJBUHD-UHFFFAOYSA-N 285.778 3.805 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1CC 583052493 BQQTXXRIBKTAAJ-KGLIPLIRSA-N 290.455 3.678 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 584031676 XTULTEVQJLDXQR-PJODQICGSA-N 286.375 3.501 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)[C@@H](C)CC1CCCCC1 584374388 DPADITOMDPPNFF-BBRMVZONSA-N 296.480 3.744 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](C1CC1)C(F)(F)F 588325452 WHVOSMVNLXTNCQ-CABCVRRESA-N 294.320 3.866 30 20 CHED Cc1cc(Cl)cc(CNCc2ccc(C#N)cc2F)c1 590185658 STCAMCHBBZUUAI-UHFFFAOYSA-N 288.753 3.949 30 20 CHED Cc1ccncc1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C#N 591153416 LKRQOZPJFWSORT-LBPRGKRZSA-N 296.330 3.651 30 20 CHED CCOC(=O)c1ccc(S[C@H]2CC[C@H](C#N)C2)c(F)c1 592361225 ORWZMWXGBBMSAB-JQWIXIFHSA-N 293.363 3.787 30 20 CHED CC(C)Cc1ncc(CN2CCC(CCC#N)CC2)s1 592517288 VSQGEOZCGJNBFU-UHFFFAOYSA-N 291.464 3.857 30 20 CHED CC[C@H](C#N)C(=O)NCC(C)(C)CCCc1ccccc1 593472026 VUKGACPXAZWROD-MRXNPFEDSA-N 286.419 3.701 30 20 CHED COc1cc(C#N)ccc1CN1CC[C@H]1c1ccc(F)cc1 595700655 CYNOKHKTESHQQY-KRWDZBQOSA-N 296.345 3.653 30 20 CHED N#CC[C@@H]1CCCN(c2ncc(Cl)cc2Cl)C1 596322998 XBVQAEDQGLUZTI-VIFPVBQESA-N 270.163 3.518 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 598523024 WOWFDDRRTUTTEK-UHFFFAOYSA-N 296.754 3.723 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C[C@@H](C)CC(C)(C)C)n1 598852909 KYOZKNWHBXPERW-LLVKDONJSA-N 287.407 3.971 30 20 CHED Cc1ccnc(N[C@@H]2C[C@H]2c2ccc(F)cc2F)c1C#N 599177270 MCAIRFJIWWCPPI-SWLSCSKDSA-N 285.297 3.508 30 20 CHED N#CC[C@@H]1CC[C@H](NCCc2cccc(C(F)(F)F)c2)C1 600161122 IODPAJUCRFKJKA-ZFWWWQNUSA-N 296.336 3.920 30 20 CHED Cc1cccc(CNc2cc(F)cc(C#N)c2)c1F 600859687 CUIYPHSQBIOEHY-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCC1(CC)CN(C[C@H](C)CCC#N)CCS1 602618451 SQLWBGFVIJIODK-CYBMUJFWSA-N 254.443 3.534 30 20 CHED CC[C@H](C)n1c(SCC#N)nnc1-c1ccccc1 604548115 VMUWBODMSQKXGH-NSHDSACASA-N 272.377 3.532 30 20 CHED N#Cc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 604564824 PQLWSJKCLSSIMX-UHFFFAOYSA-N 280.346 3.866 30 20 CHED CCN(CCC(F)(F)F)C(=O)Nc1cc(C#N)ccc1C 609207697 FPSNZVKYAFTRHW-UHFFFAOYSA-N 299.296 3.673 30 20 CHED C[C@H](Nc1ccc(Cl)cn1)c1cccc(C#N)c1 610340411 SZNOYLLBHDQXAT-JTQLQIEISA-N 257.724 3.780 30 20 CHED C[C@H](NC(=O)N[C@H]1CCCCC1(C)C)c1cccc(C#N)c1 610707774 PKINOSOPVLOOIN-BBRMVZONSA-N 299.418 3.887 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 610994151 OASLHMIPTKUJIC-AWEZNQCLSA-N 272.392 3.579 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 615450827 HSLLTHSDHIPVBR-OAHLLOKOSA-N 295.766 3.667 30 20 CHED C[C@]1(C#N)CCCN(Cc2ccc(C(F)(F)F)s2)C1 617849012 NNRDVKLLMRMGDG-GFCCVEGCSA-N 288.338 3.893 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@H]1CCc2cc(C#N)ccc21 618732685 CSEJSTGHIPWBMF-GUYCJALGSA-N 284.403 3.734 30 20 CHED Cc1ccc2oc(=NCc3ccc(C#N)c(Cl)c3)[nH]c2c1 619746559 DVWRYUKWAYQEHX-UHFFFAOYSA-N 297.745 3.695 30 20 CHED C=CCOc1ccc(C(=O)NC(C)(C)c2ccccc2)cc1 620588558 JYANOBYWHMXQBN-UHFFFAOYSA-N 295.382 3.917 30 20 CHED C=CCN(C)C(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 622848109 MRYWGEYQZVBLDI-UHFFFAOYSA-N 293.235 3.599 30 20 CHED C=CCn1cc(-c2ccc(CN3CCC[C@@H]3C)cc2)cn1 629702784 UZHYDIRVNBCINZ-HNNXBMFYSA-N 281.403 3.720 30 20 CHED C=CCC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccco1 631753210 HDAMXHUXRRKKDZ-GMTAPVOTSA-N 259.271 3.827 30 20 CHED C=CCC(C)(C)CNC(=O)COc1cc(C)ccc1Cl 644961545 GAMYTUAYFVWJOZ-UHFFFAOYSA-N 295.810 3.746 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCCc1ccc(C)nc1 657882436 ZMKDGKKXBAKCEO-IAGOWNOFSA-N 258.409 3.657 30 20 CHED C=CCCN[C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 658115314 UNORCKRFVXTOBE-QRVBRYPASA-N 284.447 3.595 30 20 CHED Cc1coc(C)c1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 671278961 RBVLCUSYZYXTIC-AWEZNQCLSA-N 290.322 3.935 30 20 CHED CC[C@@H](CC#N)NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 701309245 QJQKPHRDWFORDZ-SCOBNMCVSA-N 297.185 3.815 30 20 CHED COc1ccc(Cl)cc1C(C)=NNC1CCCC1 727651922 DIKAJSRRDIRDPE-UHFFFAOYSA-N 266.772 3.605 30 20 CHED CC(C)C[C@H](C)CC(=O)OCCOc1ccc(C#N)cc1 727884678 ZAVJLMDFDMDECR-AWEZNQCLSA-N 289.375 3.553 30 20 CHED C#Cc1ccc(C(=O)N(CC)[C@@H](CC)c2ccccc2)nc1 728810322 GNSBZSANWXTWNF-SFHVURJKSA-N 292.382 3.676 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)ccc1F 729148575 CJQHGEUMHPWGME-UTCJRWHESA-N 282.314 3.965 30 20 CHED Cc1cc(/C=C2\COc3ccccc3C2=O)ccc1F 729149459 HTPSSDVKODFJFS-UKTHLTGXSA-N 268.287 3.793 30 20 CHED Cc1cccc2c1C/C(=C\c1cccnc1Cl)C2=O 729150749 MEPPSLCOMZAQCQ-XYOKQWHBSA-N 269.731 3.866 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1CCc2ccc(F)cc21 730147463 OPZFUOYOTKGPNH-RPJLVFAOSA-N 285.318 3.646 30 20 CHED C#CCOc1ccccc1OCc1ccc(Cl)cc1 730567089 XYOQLEDGHOOFIW-UHFFFAOYSA-N 272.731 3.931 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCc3ccc(C)cc32)cc1 733328207 LARMWWPBSXCGGF-HXUWFJFHSA-N 291.394 3.784 30 20 CHED COc1cccc(NN=C2CCc3cc(F)ccc32)c1 734297434 ZXDDSIAROWTNJY-UHFFFAOYSA-N 270.307 3.597 30 20 CHED C=C(C)CN(CC)C(=S)N[C@H](CC)c1cccs1 734369260 ROYSVMYLSINVBB-GFCCVEGCSA-N 282.478 3.972 30 20 CHED Fc1c(Cl)cccc1NN=Cc1c[nH]c2ncccc12 741762579 OSSMLIBSBXJSJF-UHFFFAOYSA-N 288.713 3.801 30 20 CHED Cc1ncsc1/C=C\C(=O)c1c[nH]c2ccccc12 742433187 SIORNVGADQSGKZ-SREVYHEPSA-N 268.341 3.829 30 20 CHED Cc1ncsc1C=NNc1cccc(Cl)c1F 743435669 KFNIUVAXFZOFBF-UHFFFAOYSA-N 269.732 3.690 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ccc(Cl)nc1 743449933 HYRKMFBUTBHZKG-UHFFFAOYSA-N 289.766 3.888 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(OC)c(C#N)c1 743450388 JYNDWKOFMSGFLV-AWEZNQCLSA-N 287.407 3.849 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)Sc1ccc(OC)cc1 744304317 LCHBGEYYABQGHY-GFCCVEGCSA-N 280.389 3.685 30 20 CHED CC(=NNc1oc(C(C)C)nc1C#N)c1ccc(C)s1 745612104 PDNZXBZEVBCANZ-UHFFFAOYSA-N 288.376 3.876 30 20 CHED C=CCNC(=S)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 746395561 YTCWNRNWCSYTLR-GOEBONIOSA-N 288.460 3.563 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)C#Cc1ccccc1 747363979 JVDKUJQEHRMHNA-IBGZPJMESA-N 289.378 3.710 30 20 CHED CCCCCCCC(=O)OCC[C@H]1CCCC1=O 748180935 VBYIPTYIJKZDJI-CYBMUJFWSA-N 254.370 3.649 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)Nc1ccccc1Cl 748239516 HSHZOGPUYUYRJE-LLVKDONJSA-N 295.766 3.567 30 20 CHED CCOC(=O)c1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)o1 748439684 AZEODDSFAVUIJZ-VQHVLOKHSA-N 298.338 3.969 30 20 CHED C#CCN(CC)Cc1csc(Nc2ccccc2C)n1 749155398 QSIYXVQQZHMZHC-UHFFFAOYSA-N 285.416 3.650 30 20 CHED C=CC[C@H](NC(=O)N[C@H]1CCCC1(C)C)c1ccncc1 750642463 NSTUOQIEAOQXBU-GJZGRUSLSA-N 287.407 3.577 30 20 CHED CCCCCCCOC(=O)c1cccc2nc(O)oc12 751939545 YTIFYRMBVDTPRZ-UHFFFAOYSA-N 277.320 3.661 30 20 CHED CCc1ccc(C(C)=NNc2ccc(Cl)nc2)o1 752165270 HWLLXYRNFOLPPT-UHFFFAOYSA-N 263.728 3.727 30 20 CHED N#Cc1ccc(NC(=O)NC23CCC(CC2)C3)c(Cl)c1 752754766 RGHLTKNRAUEUQC-UHFFFAOYSA-N 289.766 3.666 30 20 CHED CC#CCCNC(=O)c1sccc1-c1ccc(F)cc1 756143365 JJPZXVPHRNVODE-UHFFFAOYSA-N 287.359 3.697 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)OCC 756538673 OQAKLHMMNOAJLR-XJKSGUPXSA-N 287.359 3.534 30 20 CHED CCC(CC)NN=Cc1cc(C)ccc1OC(F)F 756829171 LPZDPWNIGKBSOQ-UHFFFAOYSA-N 270.323 3.709 30 20 CHED Fc1cc(NN=Cc2nc(Cl)cs2)cc(F)c1F 758117871 OQLIJKSIFWKAKL-UHFFFAOYSA-N 291.685 3.660 30 20 CHED CC[C@H]1CCCC1=NN=c1cc[nH]c2ccccc12 758370200 MMCOAFCZPARBRI-LBPRGKRZSA-N 253.349 3.635 30 20 CHED CCSCCSCc1ccc(CC#N)cc1 760511749 ILKUIDYGEAZWRY-UHFFFAOYSA-N 251.420 3.739 30 20 CHED CC(C)(C)OC1CC(CC/N=C/c2ccccc2O)C1 760990665 RBABZMCUSHIBOY-LDADJPATSA-N 275.392 3.795 30 20 CHED Cn1cnc2cc(/C=C\C(=O)c3ccc(F)cc3)ccc21 761202934 ZYSYZZOHUZIVFD-OQFOIZHKSA-N 280.302 3.609 30 20 CHED C=CCCC(=O)COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 761393654 SJHDMGYAHHOAJX-CABCVRRESA-N 292.762 3.522 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1ccc(OCC#N)cc1 761493723 BEFISLMMOIQOQK-CYBMUJFWSA-N 289.375 3.704 30 20 CHED C#CCCc1noc(-c2ccc(OCCCCC)cc2)n1 762008034 XIFLBRSOKBVOJH-UHFFFAOYSA-N 284.359 3.871 30 20 CHED C#CCOc1ccc(NC(=O)c2ccc(C=C)cc2)cc1 763251454 WIEFKHRKIZUEPP-UHFFFAOYSA-N 277.323 3.594 30 20 CHED C=CCCCOC(=O)[C@H](C)c1c(F)cccc1F 763824683 SXMHHPFNWOBZTE-SNVBAGLBSA-N 254.276 3.578 30 20 CHED C#CCN(CC)C(=O)C(C)(C)CCCc1ccccc1 764210611 RLKWODBBQYIXTP-UHFFFAOYSA-N 271.404 3.517 30 20 CHED COc1ccsc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 764433883 HTISCUXODWXLTQ-AATRIKPKSA-N 289.312 3.561 30 20 CHED C[C@@H](NCCCCC#N)c1nc2ccccc2s1 765732171 NLIIXIINTLBOGN-LLVKDONJSA-N 259.378 3.641 30 20 CHED Cc1ccc(NN=C2C[C@H](C(C)C)c3ccccc32)nn1 766449859 CTXVZZQEVPGYEG-OAHLLOKOSA-N 280.375 3.745 30 20 CHED CC(C)[C@H]1CC(=NOC[C@@H]2CCOC2)c2ccccc21 766478751 VESQSNYVSPFYRC-CZUORRHYSA-N 273.376 3.587 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2ncnc3sccc23)C1 768353945 CJUBNDQZZPHMTI-WDEREUQCSA-N 274.393 3.915 30 20 CHED C#CCOc1ccccc1CN(C)Cc1ccc(C)s1 769316604 KMPVSGFFDABGOS-UHFFFAOYSA-N 285.412 3.701 30 20 CHED C=C(Cl)COC(=O)C1CCC(C(F)(F)F)CC1 769460365 ZDKJERBUWQUGNR-UHFFFAOYSA-N 270.678 3.651 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1CCO[C@@H]1C 770752374 OGLXCQCMQFQLMD-CABCVRRESA-N 269.429 3.668 30 20 CHED C#CCCCCCc1nc(-c2ccc(Cl)o2)no1 771420358 PMGKKGNYXXXSTL-UHFFFAOYSA-N 264.712 3.719 30 20 CHED CC(=NOCc1nnc(C)s1)c1cc2ccccc2o1 773180686 FEXBKTCRRPNTKB-UHFFFAOYSA-N 287.344 3.534 30 20 CHED CCOc1cccc(/C=N\Cc2cscc2C)c1O 775233387 CVJLGUSZDOECQG-APSNUPSMSA-N 275.373 3.780 30 20 CHED C=CCCOCCCCC(=O)OC1CCCCC1 776072789 FCRJTUYERKOXRI-UHFFFAOYSA-N 254.370 3.625 30 20 CHED COC(=O)c1ccccc1NN=C/C=C\c1ccc(F)cc1 776189354 HJRZLGXETJQPHU-PHEJMQSSSA-N 298.317 3.723 30 20 CHED CCCN(C)c1ccc(C(=O)OCCC(C)(C)C#N)cc1 776379435 OOWDMYIDUCMLNI-UHFFFAOYSA-N 288.391 3.629 30 20 CHED C=C[C@@H](CC(=O)OCCC(C)(C)C#N)c1ccccc1 776397777 VHSXLTIIJZDZPG-AWEZNQCLSA-N 271.360 3.829 30 20 CHED C[C@H](Nc1ccc2c(c1)OCO2)c1ccc(C#N)c(F)c1 776768725 RMEPFKNNMMORRH-JTQLQIEISA-N 284.290 3.599 30 20 CHED N#Cc1c(F)cccc1C(=O)OC[C@@H]1CCc2ccccc21 778366675 IWPHMHZODXTISR-ZDUSSCGKSA-N 295.313 3.584 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 779840281 YHYONVDOGBUKRZ-GVDBMIGSSA-N 275.436 3.997 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 779853463 FYECHIXMWLDCRZ-VAWYXSNFSA-N 273.380 3.800 30 20 CHED C#CCCCCCC(=O)N(C)c1cccc(C)c1C 779856090 ZJNPPOQAJFVTAY-UHFFFAOYSA-N 257.377 3.850 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](c2ccccc2F)C1 779905102 GQICCOHMWUNAAP-HNNXBMFYSA-N 287.378 3.725 30 20 CHED CC(=NN[C@H]1CCCOC1)c1cc2cc(Cl)ccc2o1 780260166 BXYPFUXPZZCKKB-ZDUSSCGKSA-N 292.766 3.579 30 20 CHED C#CCCCCCC(=O)Nc1ccc(F)cc1NC1CC1 780968559 JYCYTFJSGUFQMM-UHFFFAOYSA-N 288.366 3.922 30 20 CHED CC(C)(C#N)COC(=O)c1cc2c(F)cccc2s1 781467889 YPBMPODVYKQLQI-UHFFFAOYSA-N 277.320 3.747 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc2ccccc2n1 782007195 CBLMOZVWHMJWFD-UHFFFAOYSA-N 282.343 3.722 30 20 CHED Cc1cc(COC(=O)c2c(F)cccc2F)ccc1C#N 782021694 NPYSHJORNKUQQE-UHFFFAOYSA-N 287.265 3.502 30 20 CHED CC(C)(C#N)CCCOC(=O)CCc1ccccc1F 782081653 RZJLJYIHFRGDGK-UHFFFAOYSA-N 277.339 3.631 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc2cnccc2c1 782287196 LAEZIYPUGACCHT-INIZCTEOSA-N 267.376 3.737 30 20 CHED N#CCC1(COC(=O)c2ncsc2-c2ccccc2)CC1 783097605 KYPNJWVBODJHDR-UHFFFAOYSA-N 298.367 3.661 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1cc(Cl)ccn1 783863110 PCEJXZBRWKAGHX-GHMZBOCLSA-N 251.761 3.959 30 20 CHED CC[C@H](Nc1nccc(C)c1C#N)c1ccccc1OC 784143078 KSPUUQXVBDMAQV-HNNXBMFYSA-N 281.359 3.834 30 20 CHED Cc1ccnc(N[C@@H]2CCCc3cn(C(C)C)nc32)c1C#N 784167282 DDNXXDYODUFZRN-OAHLLOKOSA-N 295.390 3.529 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@H](F)C(C)C 784570321 CPOXZRDZWOAWPE-OAHLLOKOSA-N 279.355 3.517 30 20 CHED O=C(O)c1cccc(/C=C/C(=O)c2csc(Cl)c2)c1 787186143 MBLLGPXZPUFULI-SNAWJCMRSA-N 292.743 3.996 30 20 CHED C#Cc1ccc(CN2CC[C@H](c3ccccc3OC)C2)cc1 787771700 ULSQWJUIWZBOMO-SFHVURJKSA-N 291.394 3.666 30 20 CHED C=C(C)CSc1nc2ccc([N+](=O)[O-])cc2s1 788003975 HXFVBXPZMNDYFB-UHFFFAOYSA-N 266.347 3.873 30 20 CHED Cc1ccccc1C1(C(=O)[C@H](C#N)c2ccccn2)CCC1 788351038 JZUBAMSXHYERNF-OAHLLOKOSA-N 290.366 3.688 30 20 CHED C#C[C@@H](CCC)NC(=O)NCc1cc2ccccc2s1 791017802 XWYMAPHUDASLMR-ZDUSSCGKSA-N 286.400 3.502 30 20 CHED CC(C)O[C@H](C=NNc1ccnc(F)c1)c1ccccc1 793040761 XTGLBRZZEXRBFL-OAHLLOKOSA-N 287.338 3.785 30 20 CHED C#CCCCCCC(=O)N(CC1CCC1)CC1CC1 794393806 OMRZHSUVPVXEGY-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CC(C)(C)OC(=O)N(CC=NOC1CCCC1)C(C)(C)C 794527178 WJCFBUQIDJHPOP-UHFFFAOYSA-N 298.427 3.967 30 20 CHED CCc1cccc(CON=Cc2cc(OC)cc(OC)c2)c1 794727653 VVDNGEGNWFRMBL-UHFFFAOYSA-N 299.370 3.817 30 20 CHED CCc1c(C(C)=NN(C)CCOC)oc2ccc(C)cc12 794971060 QAAUDLTYDDUBJU-UHFFFAOYSA-N 288.391 3.606 30 20 CHED CC(C)c1occc1C(=O)OCCOc1ccccc1C#N 796397906 WHVSAKRTXFRZJR-UHFFFAOYSA-N 299.326 3.510 30 20 CHED C=CCC(C)(C)C(=O)OCCCCC1CCOCC1 796462289 JCCLFWBFYQDDCT-UHFFFAOYSA-N 268.397 3.729 30 20 CHED C#C[C@H](NC(=O)N(C)Cc1ccc(C(C)C)cc1)C(C)C 798552412 OGTUYAYIZPJBSS-KRWDZBQOSA-N 286.419 3.609 30 20 CHED Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1C#N 799295361 IWEIKDCOPAHHCX-UHFFFAOYSA-N 295.367 3.669 30 20 CHED CCc1cccc(C)c1NN=Cc1cnc(C)s1 799493541 GKLRXKLORJIYPV-UHFFFAOYSA-N 259.378 3.768 30 20 CHED CCc1cccc(OC(=O)/C=C\c2ccccc2C#N)c1 799767541 RDSBVKUVHLCSLZ-KHPPLWFESA-N 277.323 3.739 30 20 CHED CCN(C(=O)/C=C\c1ccccc1C#N)c1ccc(F)cc1 800412734 PNFAKTATCZWVGB-GHXNOFRVSA-N 294.329 3.764 30 20 CHED C=C(C)Cn1c(CC)nnc1N1CCC(CC(C)C)CC1 802597179 ATCJDIQICKTVEB-UHFFFAOYSA-N 290.455 3.679 30 20 CHED COc1cccc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)c1 806564554 BFCSKTQOVFUAFT-CMDGGOBGSA-N 296.370 3.679 30 20 CHED C=CCCCCCCNC(=O)N(CC)CC(C)C 807570422 SLMSRDCJZSNMEM-UHFFFAOYSA-N 254.418 3.810 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)C1CC1)c1ccc(Cl)cc1F 807689506 RZEAKZVQQOGBKB-CQSZACIVSA-N 293.769 3.706 30 20 CHED C=CCCCCCCCCNC(=O)[C@]1(C)CCCOC1 807842926 AVPHPBLMNYJWEV-QGZVFWFLSA-N 281.440 3.836 30 20 CHED CC1(C)CCC[C@H]1NN=Cc1c[nH]c(C(F)(F)F)c1 807985131 KEOAXQJHMQZWGB-SNVBAGLBSA-N 273.302 3.536 30 20 CHED Clc1c(C=NN[C@@H]2CCSC2)sc2ccccc12 808001008 DOSIEAGOHDTMQD-SECBINFHSA-N 296.848 3.984 30 20 CHED Cc1cc(OC(=O)[C@@H]2CCCCS2)c(C)c(C)c1C#N 809034637 LZPDTRQQJLURKO-HNNXBMFYSA-N 289.400 3.675 30 20 CHED COc1ccccc1/C=C1\Cc2c(ccc(OC)c2F)C1=O 809155741 FBYJUYWLKONCTG-FMIVXFBMSA-N 298.313 3.665 30 20 CHED C#Cc1ccc(CNc2cnn(C3CCCC3)c2C)cc1 809654526 GHGSCMSXSUPRIE-UHFFFAOYSA-N 279.387 3.900 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1cccc(Cl)c1F 811334554 VTDYIDSEDPWJMI-UHFFFAOYSA-N 297.757 3.895 30 20 CHED Cl/C=C/CON=Cc1ccc(N2CCCCC2)cc1 811670365 QNWFDDBPWXRHST-FODWEVITSA-N 278.783 3.780 30 20 CHED Cc1ccsc1C(=O)/C=C/c1cccc(F)c1C#N 811691723 QHPPKDFEJDABJN-AATRIKPKSA-N 271.316 3.963 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(F)ccc1Cl 814509862 RFODYOQIGUMPMQ-UHFFFAOYSA-N 283.730 3.966 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1c1cccs1 814776064 ILDQMKNKBAGLBR-JTQLQIEISA-N 271.332 3.623 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc(F)cc2C)CC1 815577649 VXCFBWGZQAPENP-HNNXBMFYSA-N 290.426 3.825 30 20 CHED Cc1c(C)n(C)c2ccc(OC(=O)CC(C)(C)C#N)cc12 817760734 GLSJNGQVYSYKIO-UHFFFAOYSA-N 284.359 3.640 30 20 CHED C=C[C@H](CC)CC(=O)N(C)[C@H](c1ccccc1)c1ncc[nH]1 820506070 FNODOQLOUISFGS-RHSMWYFYSA-N 297.402 3.560 30 20 CHED C#C[C@H](NC(=O)N(C1CC1)[C@@H](C)C(C)C)c1ccccc1 820599559 NRELNYQHCBSAQG-YOEHRIQHSA-N 284.403 3.579 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C\c2ccc(F)cc2)c1 821021619 JLUVXODBKNPXAP-FLIBITNWSA-N 283.346 3.783 30 20 CHED CCC[C@@H](CC)C(=O)NCc1ccc(C#N)c(Cl)c1 822749500 GWCSBPZMOSCUCY-GFCCVEGCSA-N 278.783 3.654 30 20 CHED C=CCN(C(=O)Cc1cccc(OC/C=C\C)c1)C(C)C 823097171 RPBSBQFPWSUOPW-ALCCZGGFSA-N 287.403 3.607 30 20 CHED CC/C(C)=C\C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 823222865 RTBGWGASLKGRPL-PGJNLMOESA-N 296.292 3.743 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccnc(Cl)c1C 823452085 XPVYYBZNWWBDDC-UHFFFAOYSA-N 281.787 3.910 30 20 CHED CN(Cc1ccc(N(C)CCC#N)cc1)C[C@@H]1CC1(C)C 827941091 CYNROUPLVKWAKU-INIZCTEOSA-N 285.435 3.514 30 20 CHED C#CCCN[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 830259091 WHIPKUAUHICUER-CYBMUJFWSA-N 284.256 3.523 30 20 CHED CC(=NNc1cc(C)nc(C)n1)[C@H]1CCCC[C@@H]1C 834940435 MBLRRUHXYAEDLQ-HZMBPMFUSA-N 260.385 3.708 30 20 CHED CC1(C#N)CCC(=NN=c2cc[nH]c3ccccc23)CC1 834955459 MMSDXPPODOTJQT-UHFFFAOYSA-N 278.359 3.528 30 20 CHED CC(C)=CCCC(C)=NNc1ncc(F)cc1F 835022417 JHEIWUDDXMPXSU-UHFFFAOYSA-N 253.296 3.894 30 20 CHED C[C@H]1CC=C(C(=O)OC[C@H](C#N)Cc2cccs2)CC1 835261188 QXLXSVHMFSYQJC-STQMWFEESA-N 289.400 3.720 30 20 CHED N#Cc1cc(F)c(C(=O)OCCC2=CCCCC2)c(F)c1 835720049 WTFYGTNKWJGTOV-UHFFFAOYSA-N 291.297 3.884 30 20 CHED CCSc1cccc(NC(=O)C#CC(C)(C)C)c1 837419862 ODKDQKXBPJXDJJ-UHFFFAOYSA-N 261.390 3.787 30 20 CHED O=C(C#CC1CC1)Nc1nc2ccccc2n1C1CCCC1 837429763 DWYHYGDCMVNYBI-UHFFFAOYSA-N 293.370 3.503 30 20 CHED Cc1cc(COC(=O)C2(C(F)(F)F)CCC2)ccc1C#N 837949613 CYXSFIDBQYOAGL-UHFFFAOYSA-N 297.276 3.643 30 20 CHED C=CC[C@H](NC(=O)N[C@@H](C1CCC1)C1CC1)c1ccncc1 838478078 SGDXARLYHRFOCF-IRXDYDNUSA-N 299.418 3.577 30 20 CHED C#CCC[C@H](C)OC(=O)c1csc(Cc2ccccc2)n1 839035054 DGXUHSOGTBFRTC-ZDUSSCGKSA-N 299.395 3.693 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCc2cccc(Cl)c2)C1 839045399 APUMHYFZRULUOT-HIFRSBDPSA-N 291.778 3.898 30 20 CHED C(=NOCc1ccccc1)c1ccc2ncccc2c1 839419130 KHVYJRDBJWRFAZ-UHFFFAOYSA-N 262.312 3.786 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(Cl)nc2Cl)C1 839444927 LFOSJLAJMDVXGV-RKDXNWHRSA-N 299.157 3.628 30 20 CHED COC1CCC(/N=C\c2c(O)ccc3ccccc23)CC1 840709721 FWIXOVGGJIVKEF-UNOMPAQXSA-N 283.371 3.922 30 20 CHED CCCCCCCCN[C@@H](C)c1cc2n(n1)CCC2 840725928 QSFXGBFETKJOOP-AWEZNQCLSA-N 263.429 3.840 30 20 CHED Cc1ccc2c(c1)S/C(=C\c1cn(C(C)(C)C)nn1)C2=O 841487351 SHHFXCNVKRIGTO-ZSOIEALJSA-N 299.399 3.671 30 20 CHED Cc1ccc(C=NN[C@@H](C)C(F)(F)F)c(Cl)c1 844601631 SYFKQYLTQMHCKE-QMMMGPOBSA-N 264.678 3.523 30 20 CHED Cc1cc(C#N)ccc1N1C[C@@H](C)C[C@@H]1c1cccnc1 846755021 CLKARJBTEAQMMY-SCLBCKFNSA-N 277.371 3.849 30 20 CHED C=CCCSCCN[C@H]1CCc2nc(Cl)ccc21 850502063 JHXWOWSZSRCWIE-LBPRGKRZSA-N 282.840 3.621 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2ncccc2c1 851207440 CQPNDFFFBZKJDA-GFCCVEGCSA-N 282.343 3.720 30 20 CHED C=CCCN(Cc1cc(C)nc(C)n1)OCc1ccccc1 851970755 JZXJCMYAXAZPGN-UHFFFAOYSA-N 297.402 3.603 30 20 CHED Fc1cccc(C=NNCC2CCCC2)c1OC(F)F 853347543 XLUXCENTMISQCA-UHFFFAOYSA-N 286.297 3.541 30 20 CHED C#CCCCOc1cccnc1N[C@@H]1CCCC(F)(F)C1 853449148 FCRDKLAFKAMRRF-CYBMUJFWSA-N 294.345 3.864 30 20 CHED CO[C@H](C#N)c1ccc(-c2cnc(SC)cc2C)cc1 854196495 AZSNAWOAHHTHKN-OAHLLOKOSA-N 284.384 3.990 30 20 CHED C#CCCOC(=O)N[C@H](CC)c1cc(C)ccc1C 859366683 MLCYZICAXZTZSJ-OAHLLOKOSA-N 259.349 3.504 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(NC)cc1 859738895 SNNDQOPILAIXKV-UHFFFAOYSA-N 275.396 3.986 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)OCCC(C)(C)C#N 859783910 JFJZBZCDSAFBAK-AWEZNQCLSA-N 273.376 3.657 30 20 CHED CCCCCCCNC(=O)[C@@H]1CCCc2cccnc21 862357189 PLRUCXNAFPFCBE-OAHLLOKOSA-N 274.408 3.588 30 20 CHED CCCCCCCNC(=O)CCc1ccsc1 862359694 RERCHPNFLWYMTN-UHFFFAOYSA-N 253.411 3.767 30 20 CHED CCCOc1ccc(NC(=O)c2cc(C#N)oc2C)cc1C 863529392 JKJAPFHZHWEMEV-UHFFFAOYSA-N 298.342 3.809 30 20 CHED CCCn1cc(/C=C\C(=O)c2ccc(C(C)C)cc2)nn1 865216139 DTCJMSGOHLXVFM-KTKRTIGZSA-N 283.375 3.708 30 20 CHED CC#CCSCc1coc(-c2ccccc2OC)n1 865284819 KGJUPBHMCKEIIL-UHFFFAOYSA-N 273.357 3.607 30 20 CHED CC(C)(C#N)CCn1ccc(-c2cccc(F)c2)n1 871789950 VMYRKSOCXCCBRV-UHFFFAOYSA-N 257.312 3.629 30 20 CHED Cc1ccc(Br)c(F)c1CNCC(C)(C)C#N 877323047 HCDNPDWPICUPQN-UHFFFAOYSA-N 299.187 3.536 30 20 CHED C=C1CCC(C(=O)Nc2cc(F)ccc2F)CC1 887608537 GVKQBEUJWVZNAC-UHFFFAOYSA-N 251.276 3.650 30 20 CHED C=CC(C)(C)CC(=O)Nc1ncc(C)cc1Br 889690375 CDSANQZHHMLBCP-UHFFFAOYSA-N 297.196 3.693 30 20 CHED N#C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C1CCCC1 893705872 YZNMZTIPJPTOIE-ZDUSSCGKSA-N 296.292 3.518 30 20 CHED C=CC(C)(C)Cc1nc(-c2c(C)nsc2C)no1 896324566 FLBNOQSTNJWBNR-UHFFFAOYSA-N 263.366 3.565 30 20 CHED CC[C@@H](CSC)N[C@@H](CC)c1cccc(C#N)c1 902894758 PFKPRHVEIIEPTH-GJZGRUSLSA-N 262.422 3.741 30 20 CHED CC[C@@H](NCC(C)(C)C#N)c1ccc(OC(F)F)cc1 903100286 MLXNARQVLIEKEE-CYBMUJFWSA-N 282.334 3.878 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915087632 WEXASDZQFNHPLV-BVGQSLNGSA-N 290.366 3.937 30 20 CHED CCC(=NNC(=S)NC1CCCCC1)c1ccccc1 915927954 IXZWRUKWDRTEGK-UHFFFAOYSA-N 289.448 3.598 30 20 CHED CCCCNN=Cc1c(-c2ccccc2)nc2ccccn12 915969995 SAMFQCWGSCDKRU-UHFFFAOYSA-N 292.386 3.725 30 20 CHED CCCOc1ccc(C/N=C/c2cccc(O)c2O)cc1 915983094 PSQUJTNUHYYJLE-LDADJPATSA-N 285.343 3.506 30 20 CHED C=CCOc1cccc(CNCCSC(F)(F)F)c1 916838553 IEVMKEKETHWCLF-UHFFFAOYSA-N 291.338 3.594 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(N(C)C)cc1 917546527 PKFFYFZVAHXYFL-UHFFFAOYSA-N 288.782 3.637 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])o1 917872250 HGOUUWDHCGRAPO-GFCCVEGCSA-N 296.367 3.914 30 20 CHED COc1ccccc1C(C)=NNc1cc(F)cc(F)c1 920376074 BOCUTUHEJRJAQG-UHFFFAOYSA-N 276.286 3.810 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\C[C@@H]1CCCCO1 920387522 QQVRMHTXKQXXNS-FQKZPNAISA-N 288.174 3.687 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCOC1CCCCC1 924581534 RUZVFJIODUUYDX-CQSZACIVSA-N 266.429 3.644 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)c2ncccc12 931304252 PVDBHOJRNVEGBT-SFHVURJKSA-N 295.386 3.601 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](CC)c1nc(C)cs1 932053986 NOJDCLKJTDRBMB-NEPJUHHUSA-N 266.410 3.621 30 20 CHED C=C1CCN(C(=O)Nc2c(C(C)C)nc3ccccn23)CC1 933745358 KTUXZIQSTLPQCK-UHFFFAOYSA-N 298.390 3.642 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cnn(C2CCCC2)c1C 935672583 URYBLWJSZKHDGM-ZDUSSCGKSA-N 275.396 3.847 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc(C(C)(C)C)nn2)o1 1116090150 IQFFGYLOBKSIED-DGCLKSJQSA-N 298.390 3.937 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(-c2cccs2)s1 1116535960 UQSCKNRMXREHQU-VIFPVBQESA-N 263.387 3.781 30 20 CHED C=CCCCc1nnc(C(C)(C)c2ccccc2)o1 1118355674 OFAWXMAZWZDXCZ-UHFFFAOYSA-N 256.349 3.904 30 20 CHED CC#CCCCc1nnc(COc2cc(C)ccc2C)o1 1118364775 LMVLHXPIGXURQC-UHFFFAOYSA-N 284.359 3.611 30 20 CHED C=C[C@H](C(=O)NC1(C(F)F)CCCC1)c1ccccc1 1123879980 LLEXSNVPJWCVCN-ZDUSSCGKSA-N 279.330 3.650 30 20 CHED Cc1cc(=NCc2ccc3sccc3c2)c(C#N)c[nH]1 1186633016 MDLAOKGMEPBDST-UHFFFAOYSA-N 279.368 3.510 30 20 CHED CC(C)c1ccc(C(=O)Nc2cccc(CC#N)c2)nc1 1272973097 KJDLCWJFJLSNJP-UHFFFAOYSA-N 279.343 3.523 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N(CCC#N)CC1CC1 1293063493 CVLFZVVIDSKYIB-SFHVURJKSA-N 298.430 3.716 30 20 CHED Cc1c(C#N)cccc1-c1nc(-c2ccc(Cl)o2)no1 1324304336 YOAKCHQKXIBNFS-UHFFFAOYSA-N 285.690 3.830 30 20 CHED Cc1coc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1C 1326613671 HIQCIPDDINUFFR-ZDUSSCGKSA-N 282.343 3.601 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1cc2ccccc2[nH]1 1326983326 LNALMQLQEJXFKY-CQSZACIVSA-N 285.391 3.664 30 20 CHED N#Cc1ccc(-c2nnc(-c3ccc4ccccc4n3)o2)cc1 1328291739 LHBWSBNQUOTOGM-UHFFFAOYSA-N 298.305 3.823 30 20 CHED CC(C)c1nc(C(=O)OCc2ccc(C#N)s2)cs1 1332974682 FUEQTGIPQSBLGD-UHFFFAOYSA-N 292.385 3.557 30 20 CHED CCCc1ccc(C(=O)N[C@H](C#N)C2CCCC2)s1 1333462576 WDTWJZAMMYKOAT-CYBMUJFWSA-N 276.405 3.513 30 20 CHED COCC[C@@H](Nc1ccc(C#N)cc1Cl)c1ccco1 1336748560 UEHRCKXJPYWCKD-CQSZACIVSA-N 290.750 3.994 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 1337378214 NSHZPURMKOXYAK-ZBFHGGJFSA-N 293.794 3.643 30 20 CHED C=C(C)CCC(=O)N(C)c1cccc2cccnc12 1338995760 KFMWGIWZRIVNCC-UHFFFAOYSA-N 254.333 3.554 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1cc(C)ccc1O 1339230563 LREVLPDLSGLLLE-UHFFFAOYSA-N 298.390 3.624 30 20 CHED CCn1c([C@H](C)CCC#N)nnc1N(C)c1ccc(C)cc1 1342938596 AHBOFYBHRZNROH-CQSZACIVSA-N 297.406 3.782 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1cn2c(n1)CCCC2 1345048570 FRKAJKXQZRKQPW-HIFRSBDPSA-N 288.391 3.511 30 20 CHED C[C@H](OC1CCCCC1)C(=O)O[C@H](C)CC(C)(C)C#N 1348751376 XASLOHSYWZSNIB-OLZOCXBDSA-N 281.396 3.596 30 20 CHED C[C@H]1C[C@H](C(=O)Nc2cccc(C#N)c2)CC[C@H]1C 1351936495 DIJONJIXWSGSEC-MBNYWOFBSA-N 256.349 3.569 30 20 CHED CC(C)c1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1 1435248431 LSNIUIHOFDGBNK-UHFFFAOYSA-N 278.355 3.958 30 20 CHED CCc1cc2c(N(C)CC(C)(C)C#N)nc(C)nc2s1 1458393612 NHXRTWBFIWRENB-UHFFFAOYSA-N 288.420 3.548 30 20 CHED CC[C@@H](C)[C@H](C)N1CCCN(c2ccccc2C#N)CC1 1459434064 AIPBDIQCDKXRNL-CVEARBPZSA-N 285.435 3.505 30 20 CHED C[C@H]1C[C@H](N2CC[C@](F)(C#N)C2)c2ccsc2S1 1474444944 SZOOWBDOUUNYTI-GAFUQQFSSA-N 282.409 3.611 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C(C)=O)s1 1514859327 QPOFJFXRFQQUHA-LBPRGKRZSA-N 277.389 3.522 30 20 CHED CCC[C@@H](C(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1524696306 QWAFWXZUBHEQRU-HUUCEWRRSA-N 296.345 3.981 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H](C)CC1CCCC1 1533137895 GBAALPKQVDOHQR-GFCCVEGCSA-N 298.386 3.916 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)CSc1ccccc1 1538447553 IVBQRLKWHVQWDW-KBPBESRZSA-N 290.432 3.565 30 20 CHED Cc1cc(S[C@@H]2CCOc3ccccc32)ncc1C#N 1559134611 BYQGLVLYWRCLFV-OAHLLOKOSA-N 282.368 3.878 30 20 CHED N#Cc1cncnc1Sc1ccc2c3c(cccc13)CC2 1559262628 OMSGYNKLOIMRGQ-UHFFFAOYSA-N 289.363 3.751 30 20 CHED N#Cc1ccccc1-c1ccc(CSC2COC2)cc1 1559473254 NFPSYUKAXFMRFT-UHFFFAOYSA-N 281.380 3.857 30 20 CHED N#CCOc1cccc(CNCc2cccc3ccoc23)c1 1560332594 QDMOYFVUAHAPOR-UHFFFAOYSA-N 292.338 3.625 30 20 CHED C=C(Cl)CNC(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 1564680036 LZCBZXOLJQHIBR-WCQYABFASA-N 286.847 3.891 30 20 CHED C=C[C@@H](Sc1nc(C)c(C)n1C1CCCCC1)C(=O)O 1588714158 ACYJFYRKWYLJRR-CYBMUJFWSA-N 294.420 3.736 30 20 CHED C=CC[C@@H]1CC[C@@H](Nc2cc(COC)cc(C(=O)O)c2)C1 1588770555 ASIXOPSQMHHLLD-IUODEOHRSA-N 289.375 3.688 30 20 CHED C=CC[C@@H]1CC[C@H](Nc2ccc(C(=O)O)cc2OCC)C1 1588771458 VKGMSFLJBIKMPY-OCCSQVGLSA-N 289.375 3.940 30 20 CHED C=CCCC[C@@H](C)OC(=O)C12CCC(C(=O)O)(CC1)CC2 1588784802 BMSNUVIOZDNACF-NVPAJSRCSA-N 294.391 3.700 30 20 CHED C[C@H](SCc1cccc(C(=O)O)n1)c1ccc(C#N)cc1 1593661524 DSSIIVLNGXEYHM-NSHDSACASA-N 298.367 3.646 30 20 CHED CCCC[C@@H](CC)CC(=O)NCc1ccc(C#N)c(F)c1 1597467982 ATVLRMNPWWHBNB-CYBMUJFWSA-N 290.382 3.920 30 20 CHED N#Cc1ccc(S[C@H](C(=O)O)c2ccsc2)c(F)c1 1601113701 RZKAQQHHFFRREX-LBPRGKRZSA-N 293.344 3.677 30 20 CHED N#Cc1cccc(CSCc2ccc(C(=O)O)s2)c1 1601122198 HGOFITZXRPWUQW-UHFFFAOYSA-N 289.381 3.751 30 20 CHED O=C(/C=C\c1ccoc1C(=O)O)c1ccc(Cl)s1 1601242829 GLAFHWYKUZTBPM-UPHRSURJSA-N 282.704 3.589 30 20 CHED N#CC1(CCN2C[C@H]3CCC[C@@H](C3)C2)CCCCC1 1617847597 SFNKBPGPYKUSQY-HOTGVXAUSA-N 260.425 3.973 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(C#N)cc1 1622711731 CBVWZVJUUFCPKD-WBMJQRKESA-N 271.364 3.649 30 20 CHED C[C@@H]1C[C@H](N=c2cc[nH]cc2C#N)C[C@H](c2ccccc2)C1 1651143498 DLJCLIOZBISYSL-LESCRADOSA-N 291.398 3.759 30 20 CHED CCC[C@H](CCc1ccccc1)Nc1cncc(C#N)n1 1651559761 YZEQGHNXEVBRAN-OAHLLOKOSA-N 280.375 3.562 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2c1ccncc1C#N 1655398570 CXOQGWOQSIEKRQ-UHFFFAOYSA-N 277.371 3.945 30 20 CHED CCOc1cccc(F)c1CNc1cccc(C#N)c1 1657019271 FSPNRDSMRTVGIB-UHFFFAOYSA-N 270.307 3.708 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCCC2(C)C)c1 1672281853 LVTPSFZWWYWELP-OAHLLOKOSA-N 285.391 3.957 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCC2C(C)(C)C2(C)C)c1 1672775217 GOTOBFODZKGVRY-UHFFFAOYSA-N 285.391 3.670 30 20 CHED CC(C)CCn1cccc1C=NNc1ccc(C(=O)O)cc1 1776013194 GHPRICNFSVEILK-UHFFFAOYSA-N 299.374 3.678 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)c1cccc(C)c1 1776061754 MRHGIOIMIRXEKV-UHFFFAOYSA-N 286.306 3.668 30 20 CHED O=C(O)c1ccc(NN=C[C@@H]2C[C@H]2c2ccccc2)cc1F 1776074804 VRGMERTWGLNWST-WFASDCNBSA-N 298.317 3.725 30 20 CHED O=C(O)c1ccc(/C=C\C(=O)c2ccccc2Cl)s1 1776115476 ZQWDFBUHZIGZQR-ALCCZGGFSA-N 292.743 3.996 30 20 CHED C=CCCCCN1CCCC[C@@H]1c1ccc(C(=O)O)n1C 1776174882 YGHHRSBQRHTLSO-OAHLLOKOSA-N 290.407 3.607 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)s2)oc1C 1777418507 QIVDHELRCKMZSG-HWKANZROSA-N 276.313 3.552 30 20 CHED COc1cccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)c1 5128944 OIPDHCLMHZFLGL-BQYQJAHWSA-N 282.339 3.914 30 20 CHED COc1ccc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@@H]2C)cc1 7333195 FYCKSILJZIAITB-PEHNMLCRSA-N 298.313 3.923 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(N(C)C)cc2)c1 7586625 NYXBIRPUQGDKRE-KPKJPENVSA-N 265.356 3.957 30 20 CHED Cc1ccccc1SCC(=O)Nc1ccc(CC#N)cc1 8126129 OHCHYAHAWNOUKA-UHFFFAOYSA-N 296.395 3.792 30 20 CHED COc1cccc(/C=N/Cc2nc3ccccc3s2)c1O 25258840 YCZHQNDIEORHAE-RQZCQDPDSA-N 298.367 3.630 30 20 CHED N#Cc1ccc(Sc2ccc3c(c2)CCC3)nc1 36923826 OMZREISACDBJJI-UHFFFAOYSA-N 252.342 3.593 30 20 CHED CN(C)c1c(Cl)cccc1NCc1cccc(C#N)c1 37127145 OUCUJXOURYIZBS-UHFFFAOYSA-N 285.778 3.890 30 20 CHED CCN(CCOc1cccc(C#N)c1)c1cccc(F)c1 44349970 GGNMWUGXWCAWCT-UHFFFAOYSA-N 284.334 3.603 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)C1(C#N)CCCCC1 44385536 YVCZTDWORWBPAY-UHFFFAOYSA-N 290.794 3.772 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)cc1 45027226 MIFYGUINXWOIIU-UHFFFAOYSA-N 297.383 3.840 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(COC)c1 45934537 AJOPQWZEXRYFIJ-UHFFFAOYSA-N 295.382 3.661 30 20 CHED Cc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1Cl 46169537 FNYCHRYAMBIBBK-UHFFFAOYSA-N 299.761 3.571 30 20 CHED CC(C)(C)CC(=O)Nc1cccc(OCCCC#N)c1 48735373 YGXIMTDXUQGASP-UHFFFAOYSA-N 274.364 3.744 30 20 CHED C=C(Cl)CN(C)Cc1ccc(Br)s1 53149179 NIFVZUSNSNVCJM-UHFFFAOYSA-N 280.618 3.695 30 20 CHED CCC[C@@H](C)C(=O)Nc1cccc(OCCCC#N)c1 55569216 ZAUWCGHELIZCJI-CYBMUJFWSA-N 274.364 3.744 30 20 CHED Cc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)s1 60340092 SOFZTYLXMDGIQL-FMIVXFBMSA-N 270.353 3.975 30 20 CHED N#C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(C(F)(F)F)c1 61889435 LIQIEOJGCTUAMR-BXKDBHETSA-N 297.280 3.519 30 20 CHED CCN(CC#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 68232099 RXIKLOVFEYYJFN-UHFFFAOYSA-N 299.201 3.688 30 20 CHED N#Cc1cccc(OCCOc2ccc(F)c(Cl)c2)c1 70168684 PCLQIMKFDCYIAS-UHFFFAOYSA-N 291.709 3.809 30 20 CHED Cc1cc(C(=O)N(CCC#N)c2ccc(F)cc2)c(C)o1 72678609 DYMXYGOHPQQRQE-UHFFFAOYSA-N 286.306 3.596 30 20 CHED CC(C)CCN(C(=O)Nc1ccc(CC#N)cc1)C1CC1 76083729 UVTQGLZDCFMIOC-UHFFFAOYSA-N 285.391 3.795 30 20 CHED CCSc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 86296068 DXCQATOORHYYHL-LLVKDONJSA-N 277.393 3.564 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)CS1 86934761 VQTGQFYIOIYOPR-GZMMTYOYSA-N 252.770 3.518 30 20 CHED CCN(C(=O)C=C1CCC1)[C@@H](C)c1ccc(C#N)cc1 87120340 NLPCYYWGVFEQNE-ZDUSSCGKSA-N 268.360 3.578 30 20 CHED N#Cc1ccccc1CSc1cc(Cl)ccn1 91361934 POWBKTNBZGPTKP-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C[C@@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C 93480919 WQIOBLGWHILZSA-CVEARBPZSA-N 285.435 3.514 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(CC)cc2)c1 103032619 WPIMIZQNWBHLDH-UHFFFAOYSA-N 263.340 3.507 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccccc2OC(C)C)c1 105961750 UKFIFBOFBWIYMU-UHFFFAOYSA-N 293.366 3.732 30 20 CHED CC(C)(C)OCCSCCCOc1ccc(C#N)cc1 108412506 SRIOSOIHNMZOHJ-UHFFFAOYSA-N 293.432 3.875 30 20 CHED CC[C@H](OC(=O)COc1ccc(C#N)cc1)c1ccccc1 113464701 PUXYBGWEZXRBMC-KRWDZBQOSA-N 295.338 3.632 30 20 CHED C=CC[C@@H](C)NCc1cccc(OC(F)(F)F)c1 116927039 RDZMVHGKDSRAQJ-SNVBAGLBSA-N 259.271 3.639 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(C)cc1O)c1ccccc1 122557364 OLCDVIQUYCXUAZ-AWEZNQCLSA-N 281.355 3.999 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C(CC)CC 124433897 DOSKXNZXNYFPIA-UHFFFAOYSA-N 275.392 3.646 30 20 CHED CC[C@H]1CC[C@@H](C)N1CCCOc1ccc(C#N)cc1 124621983 AFCYMYXNXWDEHQ-ZBFHGGJFSA-N 272.392 3.590 30 20 CHED N#Cc1ccc(CNCc2cccc(C(F)F)c2)cc1 131816809 YYYAIIJGVWAYKF-UHFFFAOYSA-N 272.298 3.786 30 20 CHED CCC(CC)SCC(=O)N(C)C1(C#N)CCCCC1 131835630 KJKQSDWSOGJSOX-UHFFFAOYSA-N 282.453 3.593 30 20 CHED N#Cc1cccc(NCc2csc(C3CC3)n2)c1 134791292 CFODVHTVLTVCRP-UHFFFAOYSA-N 255.346 3.504 30 20 CHED COc1ccc(C#N)cc1CNc1ccccc1OC(C)C 151900346 OOHJZBVSFASVPJ-UHFFFAOYSA-N 296.370 3.966 30 20 CHED COc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1Cl 154241614 IMJWEXCIOCTFQX-UHFFFAOYSA-N 283.718 3.764 30 20 CHED Cc1ccc(/C(N)=N/OCCCCC(F)(F)F)cc1F 154252404 NHIOFSWQYCZAAL-UHFFFAOYSA-N 292.276 3.504 30 20 CHED C=C(C)CNC(=O)N[C@H](C)c1ccccc1C(F)(F)F 156355437 WETQWMJMYSYOCW-SNVBAGLBSA-N 286.297 3.642 30 20 CHED C=C(C)CNC(=O)N(C)[C@@H](C)c1ccccc1Cl 156403389 BNQORDFRSMLWQB-NSHDSACASA-N 266.772 3.619 30 20 CHED C[C@@H](CC(=O)Oc1ccc(C#N)cc1F)c1ccccc1 158250448 CPJNSRZHNPSHLZ-LBPRGKRZSA-N 283.302 3.797 30 20 CHED CC(C)(C)[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(F)cc1 158417970 DBJQMZDZKYNMFZ-OAHLLOKOSA-N 299.349 3.543 30 20 CHED C=CCC[C@H](CC)NC1CC(C)(C)NC(C)(C)C1 159626323 OHUYSMCCSXCQLZ-ZDUSSCGKSA-N 252.446 3.630 30 20 CHED CCN(CCC#N)C(=O)CCc1ccc(CC(C)C)cc1 160472376 IIDXHKBFXPEYRF-UHFFFAOYSA-N 286.419 3.580 30 20 CHED C=CCNc1nnc(SCCCCC(F)(F)F)s1 161768554 MMBNXBQMIVHVPN-UHFFFAOYSA-N 297.371 3.961 30 20 CHED C=CCOc1ccc(C(=O)N[C@H]2CCC(C)(C)C2)cc1 162523439 WIAKODSIGHDWAM-AWEZNQCLSA-N 273.376 3.560 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](C)Cc2cccc(F)c2)c1 171195202 XGFZRMSZMYEPOY-AWEZNQCLSA-N 295.357 3.649 30 20 CHED COc1ccc(C(=O)/C=C/c2cccnc2Cl)c(F)c1 171537262 OKYHOTVRCXAIJN-QPJJXVBHSA-N 291.709 3.779 30 20 CHED Cc1cc(Cn2cc(C#N)c(=O)c3ccccc32)c(C)s1 171554396 RSMUOZVQCQURAR-UHFFFAOYSA-N 294.379 3.600 30 20 CHED CCc1ccc(-c2noc(-c3ccc(C#N)c(C)n3)n2)cc1 172059540 LMKGPYSDHMYGPL-UHFFFAOYSA-N 290.326 3.541 30 20 CHED C#CCCCNC(=O)CCCc1ccc(Cl)c(Cl)c1 172931912 DXDVVUOVVDMUGV-UHFFFAOYSA-N 298.213 3.846 30 20 CHED CC(C)(C)C(=O)CSCc1cc(C#N)ccc1F 175158647 JLUNISLUJVDNEF-UHFFFAOYSA-N 265.353 3.546 30 20 CHED C=CCCCC(=O)N1CCc2c(Cl)cccc2C1 175737781 YLIWAMQPZNRDBF-UHFFFAOYSA-N 263.768 3.581 30 20 CHED N#Cc1csc(/C=C2/Cc3ccc(F)cc3C2=O)c1 176412072 LQEDHMMDGSILQA-WZUFQYTHSA-N 269.300 3.581 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cccc(CC#N)c1 176689686 CTHPJOICUOBLET-BBRMVZONSA-N 284.403 3.697 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccn(Cc2ccccc2)n1 176979297 UYVDPHXMWHOMRR-UHFFFAOYSA-N 295.386 3.638 30 20 CHED C=CCC[C@H](NCCc1ccc(OC)c(F)c1)C1CC1 178688522 OFLUYRBRZVIKQS-INIZCTEOSA-N 277.383 3.711 30 20 CHED C=CCCCC(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1 179316944 DEXQEAYANHECRT-HNNXBMFYSA-N 289.419 3.689 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@@H]1C[C@@H]2CC[C@@H]1C2 180205480 VKXLOLRHYNFDMY-RGCMKSIDSA-N 256.349 3.578 30 20 CHED N#CCCCN[C@@H](COc1ccccc1F)c1ccccc1 180327179 BUJMJFWZPLKFIU-KRWDZBQOSA-N 298.361 3.839 30 20 CHED C=CCCC[C@H](C)NC(=O)CCc1ccc(OCC)cc1 182633510 QDELUHXDKIHDCM-HNNXBMFYSA-N 289.419 3.879 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1SC 182658690 LLJNLSQNXXCIFV-LBPRGKRZSA-N 263.406 3.883 30 20 CHED CC#CCCCC(=O)N(C)Cc1cccc2ccccc12 185197649 ZRIBFBNTZHATBS-UHFFFAOYSA-N 279.383 3.992 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cc3c(cc2Cl)OCO3)C1 185876537 JZRZBWXOHAOLTK-ZJUUUORDSA-N 278.739 3.563 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1c(F)cccc1OC 186164158 YDPLRVJXKXCEEG-LLVKDONJSA-N 280.343 3.701 30 20 CHED C#CCOc1ccccc1NC(=O)[C@H](C)SCCCC 187196732 OQRJMFQEDHLUSA-ZDUSSCGKSA-N 291.416 3.559 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(CCC#N)Cc2cccnc2)CC1 187746658 JYESTCSYENZTGR-WOVMCDHWSA-N 299.418 3.540 30 20 CHED COc1cc(C#N)ccc1COc1cnc2ccccc2c1 187911359 KOOIUYWLTOFWIN-UHFFFAOYSA-N 290.322 3.694 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)N(C)CCC#N)c1C 188763821 AKNRBJBLOXUKCN-UHFFFAOYSA-N 282.343 3.549 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(Br)ccc1O 189033563 MEUCNJHVUKHRMU-CYBMUJFWSA-N 298.180 3.696 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cc(F)ccc1OC 190729553 TUCSWIYSOKYVNU-ZBEGNZNMSA-N 279.355 3.614 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CCC1 191836709 IZIYOVUAECXXKM-MRXNPFEDSA-N 298.430 3.518 30 20 CHED C#CCCCC(=O)Nc1ccc(N(CC)C(C)C)cc1 192052110 UQSRXODQAKCMAJ-UHFFFAOYSA-N 272.392 3.663 30 20 CHED C#CCCCC(=O)N(Cc1ccco1)c1cccc(C#C)c1 192271440 TZNIKPXDNPXOAP-UHFFFAOYSA-N 291.350 3.598 30 20 CHED CCCOc1ccccc1N[C@H]1CCC[C@H](C#N)C1 193090770 HVVUNJVWEBFHHB-KBPBESRZSA-N 258.365 3.970 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)c1cc(C)ccc1C 194732614 BJCMVYLKLZWPPR-UHFFFAOYSA-N 292.382 3.771 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccccc2F)cc1 211392520 VUSIYYWQONYQPP-XFXZXTDPSA-N 269.319 3.788 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2ccc(C(=O)O)s2)c1 213229658 DNHMHGYBPRVOGA-WAYWQWQTSA-N 286.352 3.959 30 20 CHED C#CCSCCN[C@@H](CC)c1ccc(Cl)cc1 222111476 IDVHJNYUXXQZGE-AWEZNQCLSA-N 267.825 3.747 30 20 CHED C[C@@H]1CCCN(c2ccc(Br)cc2C#N)C1 227634930 CWNGISMKIQVHCD-SNVBAGLBSA-N 279.181 3.557 30 20 CHED CCC[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)C(C)C 245768242 JWNUSZABTFSFAM-IJEWVQPXSA-N 264.413 3.647 30 20 CHED C=CCOc1ccc(C(=O)N(C)c2ccccc2)cc1 247934629 GVKJLOUEKTZSSE-UHFFFAOYSA-N 267.328 3.528 30 20 CHED Oc1ccccc1C=Nc1ccc(N2CCCC2)c(F)c1 255617995 HXPNRJXLTSUEQC-UHFFFAOYSA-N 284.334 3.882 30 20 CHED N#Cc1ccc(NC(=O)NCC2(C3CC3)CC2)c(Cl)c1 269856341 SGTRUHKCOHRCCZ-UHFFFAOYSA-N 289.766 3.523 30 20 CHED C#CCCCSc1nnc(-c2ccccc2Cl)n1C 270878192 NWOIYUAFSGCODK-UHFFFAOYSA-N 291.807 3.641 30 20 CHED C=CCN(C(=O)Nc1cc(F)cc(Cl)c1)C1CC1 271497097 VIXPKZXTZXRXEH-UHFFFAOYSA-N 268.719 3.661 30 20 CHED Cc1cc([C@H](N[C@@H]2CC[C@@H](C#N)C2)C2CC2)ccc1F 274594055 FXIAYCNWFNNVQH-SRCQZFHVSA-N 272.367 3.867 30 20 CHED C=CCCCCNC(=O)N(Cc1ccco1)C(C)C 274693072 VOSMRCLTHSKJPC-UHFFFAOYSA-N 264.369 3.556 30 20 CHED CCCOc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 276978149 RWLBLESSUMEXDA-AWEZNQCLSA-N 297.402 3.536 30 20 CHED C[C@@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 277983832 QTXSNGXXYLLTJR-HOCLYGCPSA-N 284.403 3.721 30 20 CHED Cc1cc(NC(=O)CC(C)(C)C#N)ccc1Br 278348561 WYJILJSBVWRXBK-UHFFFAOYSA-N 295.180 3.636 30 20 CHED Cc1ccc([C@@H](NC(=O)CC(C)(C)C#N)C2CC2)cc1 278577186 RMJJXFBMMSSGSW-MRXNPFEDSA-N 270.376 3.502 30 20 CHED C=CCCC(=O)Nc1c(F)ccc(C)c1Br 281341499 YAEQJEXUZOCWOQ-UHFFFAOYSA-N 286.144 3.801 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1ccc(C#N)cc1 285077630 RUELJGUGPSGYPA-UHFFFAOYSA-N 268.316 3.835 30 20 CHED CO[C@H](C)CO/N=C(\C)c1csc(-c2ccccc2)n1 286385632 MRALRVGUBCCSGE-ZWLCBZGVSA-N 290.388 3.586 30 20 CHED COCC(C)(C)CCCN[C@H](C)c1cccc(C#N)c1 286883880 COXFBPCEVWBSKO-CQSZACIVSA-N 274.408 3.662 30 20 CHED CC(C)[C@@H]1/C(=C/c2cn(C(C)C)nn2)C(=O)c2ccccc21 287297105 SQZCUFKMRFXRHL-STKCSNAVSA-N 295.386 3.879 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2c[nH]c3c(C)cccc23)no1 289206431 XXFQZTRZVDSVEY-KRWDZBQOSA-N 294.358 3.641 30 20 CHED Cc1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1C 294217831 KDAZOIRSELMUEH-KRWDZBQOSA-N 268.360 3.716 30 20 CHED N#C[C@]1(C(=O)Nc2cnc3ccccc3c2)CC12CCCC2 294631669 ZPDMTGAYSNOZGP-SFHVURJKSA-N 291.354 3.647 30 20 CHED N#C[C@]1(C(=O)NCc2coc3ccccc23)CC12CCCC2 295406031 ZYUTVAOYYPKDKL-SFHVURJKSA-N 294.354 3.523 30 20 CHED N#Cc1cc(Cl)cc(OC(=O)OC2CCCC2)c1 295901128 HAXHXJSZUOCWDD-UHFFFAOYSA-N 265.696 3.670 30 20 CHED CC[C@H](SC)C(=O)Nc1sc(C(C)(C)C)cc1C#N 297750044 LESLMZSJMCBDIM-JTQLQIEISA-N 296.461 3.997 30 20 CHED N#CCCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 299002028 QKHJKSUMRFIVDG-MRXNPFEDSA-N 285.778 3.522 30 20 CHED N#Cc1ccc(N[C@H]2C[C@H]2c2c(F)cccc2Cl)cn1 301562613 PADWITJDNMFNJZ-RISCZKNCSA-N 287.725 3.714 30 20 CHED Cc1ccc(N/C(N)=N/Cc2cc3ccccc3o2)cc1C 303891617 QVNOHAQQGUYQCU-UHFFFAOYSA-N 293.370 3.976 30 20 CHED C[C@H](C#N)CSc1ccccc1NCCCCCO 305640142 BAIHBSFHKRGLCS-CYBMUJFWSA-N 278.421 3.513 30 20 CHED CC(C)(CCC#N)CNc1ncccc1Br 309325812 GNFLUXBPCVIMPJ-UHFFFAOYSA-N 282.185 3.586 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCSC2)cc1Cl 310483487 FIKGXXZHWPBKTB-JTQLQIEISA-N 266.797 3.767 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 314955702 NTNBUJCIZUMSBV-FHIRATQRSA-N 270.376 3.826 30 20 CHED OC(=Nc1cccc2ocnc12)C1[C@H]2CCCC[C@H]12 328902001 ZUPOJBFTWCFRGQ-UWVGGRQHSA-N 256.305 3.852 30 20 CHED COc1ccc2c(c1N=C(O)c1ncoc1C1CC1)CCC2 328993586 JBMZQFIGKIMVFT-UHFFFAOYSA-N 298.342 3.686 30 20 CHED C[C@@H]1CC(=O)CC[C@@H]1C(O)=Nc1nc2ccsc2s1 329001858 WBQQCYOVGJIENG-APPZFPTMSA-N 294.401 3.951 30 20 CHED C[C@@H]1CCC[C@H](CC(O)=Nc2nc3cccnc3n2C)C1 329384837 PRGPMOFJKWMVTA-NEPJUHHUSA-N 286.379 3.773 30 20 CHED CCc1nc(C)c(N=C(O)c2conc2C2CC2)s1 329584688 QWXHODGDOXOWQR-UHFFFAOYSA-N 277.349 3.516 30 20 CHED CCCc1occc1/C(O)=N/[C@H](CC)C1CCOCC1 330407591 XDRDKYUXVXIXQM-CQSZACIVSA-N 279.380 3.742 30 20 CHED Nc1c(F)cc(Cl)cc1/C(O)=N/C[C@H]1CC=CCC1 330694288 SRPXCHXQTSQCOJ-VIFPVBQESA-N 282.746 3.722 30 20 CHED Cc1nc(C/N=C(/O)c2ccoc2C(C)C)sc1C 331089143 GFNKTNXAICUGDJ-UHFFFAOYSA-N 278.377 3.981 30 20 CHED CC[C@@H](C)n1ncc(N=C(O)N[C@H]2CCCC2(C)C)c1C 331114376 JPUQVMODMRJPMH-RISCZKNCSA-N 292.427 3.876 30 20 CHED CC[C@H](CC#N)/N=C(/O)N1CCC(Cc2ccccc2)CC1 331135467 PWCRDRSDRYIFMM-QGZVFWFLSA-N 299.418 3.547 30 20 CHED N#CC1CCN(C(=O)c2cscc2-c2ccccc2)CC1 334593135 CPHVQLRZOONLAH-UHFFFAOYSA-N 296.395 3.791 30 20 CHED Cc1csc(CN[C@H]2CCc3ccc(C#N)cc32)c1 334890500 OHTXHYIVYWBCNH-INIZCTEOSA-N 268.385 3.705 30 20 CHED Cc1ccc2cc(CN3CCC(CC#N)CC3)ccc2n1 336524905 HIWXUZKECBJKML-UHFFFAOYSA-N 279.387 3.669 30 20 CHED C[C@H](CCc1ccc(C(F)(F)F)cc1)NCCC#N 338955118 BHIITTGSCSNGOA-LLVKDONJSA-N 270.298 3.530 30 20 CHED CC[C@@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)nc2)n1 341166074 GVRQXTHNZUBYBB-RISCZKNCSA-N 282.347 3.687 30 20 CHED C=CCCN(C)C(=O)c1ccc(C)c(C)c1Cl 342003775 MKBZYANVTBAAIA-UHFFFAOYSA-N 251.757 3.605 30 20 CHED Cc1cccc(CCCNc2c(Cl)cccc2C#N)n1 343236622 VLPMGZSCNWBYOI-UHFFFAOYSA-N 285.778 3.960 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1sc(CCOC)nc1C 343513484 WDFJPOBYGIOMQC-WCQYABFASA-N 282.453 3.646 30 20 CHED C=CCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 343941157 YMPVPFHGLNOFSN-UHFFFAOYSA-N 260.337 3.525 30 20 CHED C=CCCCSCC(=O)Nc1c(F)cccc1F 344516562 RPEGDEFRHCCCJO-UHFFFAOYSA-N 271.332 3.603 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(-c2ccc[nH]2)cc1 345108050 AEKXQNVSMNEQQJ-GFCCVEGCSA-N 269.348 3.768 30 20 CHED Cc1ccc(COc2ccc(CNCCC#N)cc2)cc1 345308226 VKIDHNPKQRNDSL-UHFFFAOYSA-N 280.371 3.577 30 20 CHED CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H](C)C#N 345472475 VZYNRHGVIBJJJR-VIFPVBQESA-N 282.796 3.939 30 20 CHED CC(C)Cc1noc(C[C@@H](CC#N)c2ccccc2)n1 345659199 HTDXWMXGGQQFME-CQSZACIVSA-N 269.348 3.508 30 20 CHED Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCCCC#N)cc1 345819754 SUZMVEOYIOKSGG-NVXWUHKLSA-N 299.418 3.781 30 20 CHED N#Cc1cccc(C(=O)Nc2ccnc(-c3ccccc3)c2)c1 346863625 CAWPRJFZHGMWLJ-UHFFFAOYSA-N 299.333 3.873 30 20 CHED C[C@@H](NCC(C)(C)CCC#N)c1ccccc1N(C)C 348204615 GRKNEJWUSRLCCI-CQSZACIVSA-N 273.424 3.733 30 20 CHED COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)ccn1 348751131 DNCVSEXECJQRNO-NEPJUHHUSA-N 299.349 3.513 30 20 CHED CCC(CC)CN(CCC#N)Cc1c(F)ccc(O)c1F 351397678 MSTDTJVVMADQPS-UHFFFAOYSA-N 296.361 3.822 30 20 CHED C=C(C)CN(C)Cc1cn(-c2ccc(Cl)cc2)nc1C 353153644 QLGUWVOEJKWOHE-UHFFFAOYSA-N 289.810 3.842 30 20 CHED N#Cc1ccc(NC(=O)c2ccc3c(c2)CCC=C3)cc1C#N 353262563 SDJRLEARAIERSA-UHFFFAOYSA-N 299.333 3.642 30 20 CHED Cc1ccncc1CN(Cc1ccc(C#N)cc1)C(C)C 353449356 QEFQIUVLPJNYLT-UHFFFAOYSA-N 279.387 3.672 30 20 CHED C=CCCC1(C(=O)N[C@@H]2CCc3c(OC)cccc32)CC1 356411257 QQPSENHUWVPBGG-OAHLLOKOSA-N 285.387 3.545 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(Cl)c2cccnc12 356975006 WBVJAGGTJZCEMZ-UHFFFAOYSA-N 286.762 3.702 30 20 CHED C=CCC[C@H](NC(=O)CC1(OC)CCC1)c1ccccc1 358197625 ITBJNAVYBYHNCE-INIZCTEOSA-N 287.403 3.769 30 20 CHED C=CCCOCCN[C@H]1CCc2ccc(Cl)cc21 358361287 BHYUXNDCBAWUMA-HNNXBMFYSA-N 265.784 3.510 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(C#N)c2)C1 358522891 RIDFNXKJVYSJMF-QWHCGFSZSA-N 281.359 3.585 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCC(C)(C)C1 358970935 DRIACQPQJMQUGO-OAHLLOKOSA-N 278.440 3.991 30 20 CHED N#CCCCCSCc1csc(-c2ncccn2)n1 359740706 BLNIUELKXSRDOD-UHFFFAOYSA-N 290.417 3.527 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N(C)Cc3ccoc3)c2c1 360965989 JUSFQXOASBYAOO-UHFFFAOYSA-N 291.354 3.953 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C[C@H]2CCOC2)C1 367404770 RVBGXJNELRNSCA-KBAYOESNSA-N 298.430 3.758 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 369746163 TWTNENNUCFUCOD-LSDHHAIUSA-N 294.439 3.522 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 378400404 JDBPHPJFMLOXOA-KRWDZBQOSA-N 287.378 3.553 30 20 CHED C=CC(C)(C)CNCc1ccc(OC)c(Cl)c1 384932019 HOQLHTJPFQZJBR-UHFFFAOYSA-N 253.773 3.650 30 20 CHED C[C@@H](CNc1nc2c(cc1C#N)CCCC2)CC(F)(F)F 396971525 CKYRYMAQZFGDDB-SNVBAGLBSA-N 297.324 3.832 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 404262860 SRSKZDPBELPBPK-DSPQJCBJSA-N 272.367 3.612 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1oc2c(C)cccc2c1C 410823958 BKDAVYDJCIUBCG-CYBMUJFWSA-N 284.359 3.814 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cc2cccc(C)c2s1 410838482 XZKBQXFQBKSMRG-CYBMUJFWSA-N 286.400 3.974 30 20 CHED CC(C)OC(=O)CSCCC1(C#N)CCCCC1 412996269 FPDYWMNNOKPUTL-UHFFFAOYSA-N 269.410 3.535 30 20 CHED C[C@@H](Nc1ncc(C#N)cc1F)[C@H](C)c1ccccc1 413172452 BTZCQVQWMPOKRL-NWDGAFQWSA-N 269.323 3.696 30 20 CHED C=C[C@H](CO)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 414123253 BQHIHMFKWFBEBA-NUEKZKHPSA-N 279.811 3.503 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416109499 QXRGEXZTJLQUBV-GOSISDBHSA-N 294.398 3.820 30 20 CHED C=CCN(C(=O)Nc1ccc(C)cc1SC)C1CC1 417221911 JTVDUKSPXACTMW-UHFFFAOYSA-N 276.405 3.899 30 20 CHED C[C@@H](NCc1cccc(C#N)c1)[C@@H]1C[C@H]1c1cccs1 417308925 FXGBKSSGCDRZSX-UHOFOFEASA-N 282.412 3.902 30 20 CHED Cc1cc(C)n(-c2ccc(OCCC(C)(C)C#N)cc2)n1 419117675 MRBIAICKGHCOKM-UHFFFAOYSA-N 283.375 3.808 30 20 CHED Cc1c(NC(=O)[C@@H]2CCC[C@@H](C)C2)ccc(C#N)c1C#N 421563212 WTIUPDMPUCRSPT-DGCLKSJQSA-N 281.359 3.503 30 20 CHED Cc1c([C@H](C)NCc2ccc(C#N)s2)cnn1C(C)C 421867132 BUPQLRAPDFGUHG-NSHDSACASA-N 288.420 3.556 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCCC2 424316696 BCRLIZVCVIXACX-QWQRMKEZSA-N 268.404 3.908 30 20 CHED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)c1ccc(C2CC2)cc1 424514908 BGQIHUFLDPURPQ-XWIAVFTESA-N 299.414 3.722 30 20 CHED CC[C@@H](C)[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424969231 AXBVDADARQGODO-WTTBNOFXSA-N 284.403 3.625 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC(C)(C)C1 425120516 ATXYHPZKPFADMI-XJKSGUPXSA-N 284.403 3.904 30 20 CHED C=CC[C@@H](C(=O)N(C)Cc1cccc(C)n1)c1ccccc1 427475953 JQBORYUSZMJXQA-GOSISDBHSA-N 294.398 3.708 30 20 CHED Cc1sc(C(=O)NCCC#N)cc1-c1ccc(F)cc1 427628599 FTXFPRDXTIZAGE-UHFFFAOYSA-N 288.347 3.506 30 20 CHED CC(C)c1noc(CSCc2cccc(F)c2C#N)n1 427856187 MUJAPEAFNUHWAF-UHFFFAOYSA-N 291.351 3.637 30 20 CHED C=CCN(CC=C)C[C@@H](OC(C)C)c1ccccc1 428454113 CIMBWIFLKGHEHQ-QGZVFWFLSA-N 259.393 3.827 30 20 CHED Cc1cccc2nc(N(C)CC(C)(C)C#N)sc12 432153175 BVQRWLXADYAAMK-UHFFFAOYSA-N 259.378 3.591 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nc(C(C)(C)C)n[nH]1 433186253 IPGDLZNHTPBBEU-UHFFFAOYSA-N 298.434 3.681 30 20 CHED CC[C@@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)C(C)C 434030772 JWRAGYLBMSWXMU-UONOGXRCSA-N 264.413 3.599 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1C1CC1 434075459 QDXMBCFQDBNTAL-JKSUJKDBSA-N 261.409 3.627 30 20 CHED CO[C@H](C)c1noc(CSCCCCC(C)(C)C#N)n1 435889318 SHKFXEDAHUJXDI-LLVKDONJSA-N 297.424 3.730 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)oc1C)c1ccccc1 436082106 ZOQCYJLGGQCQLD-INIZCTEOSA-N 282.343 3.731 30 20 CHED Cc1nc(C(C)C)oc1COc1cccc(C#N)c1 436474122 OIXNGJHTZLNLGG-UHFFFAOYSA-N 256.305 3.557 30 20 CHED C=CCn1cccc1-c1nc(-c2cc(C)c(O)c(C)c2)no1 436877062 CZMVSBJNVILJLA-UHFFFAOYSA-N 295.342 3.714 30 20 CHED Cc1cc(N[C@H]2CC[C@H](C#N)C2)c2cccnc2c1C 442830532 STOVSLUXAJZCTO-KBPBESRZSA-N 265.360 3.956 30 20 CHED C=C1CCN(C(=O)[C@H](C)Oc2cccc3ccccc23)CC1 444179942 GNYHXPLOGUIFFY-HNNXBMFYSA-N 295.382 3.786 30 20 CHED CC1(C)CCCN(CCSc2ccccc2F)[C@H]1C#N 444738043 YAEOJIGILAHVPU-HNNXBMFYSA-N 292.423 3.932 30 20 CHED C=CCC[C@H](CO)N[C@H](C)[C@H](C)c1ccc(Cl)cc1 449697957 MLEBOJZRNNIUOM-WOSRLPQWSA-N 281.827 3.749 30 20 CHED C=CCC[C@H](NC(=O)[C@H](CCC)OC)c1ccccc1 450180543 JQQDCDZCQDMYAX-HOTGVXAUSA-N 275.392 3.625 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C2CC2)nc1C 450421876 FVGPUUZJMSPJIP-LBPRGKRZSA-N 272.392 3.742 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)CC1(C#N)CCC1 450426104 VPRZGLPQPGTWPX-CYBMUJFWSA-N 276.811 3.897 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1csnn1)c1ccc(F)c(F)c1 450779503 OUNMXSUJRXLGPX-YMTOWFKASA-N 295.358 3.784 30 20 CHED N#CCc1ccc(CN2CCC[C@H](c3ccncc3)C2)cc1 451006351 RQNNCHJTMDLQCJ-IBGZPJMESA-N 291.398 3.527 30 20 CHED CC(C)(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1C#N 452683769 OGDQDDBYLFLLSR-HUUCEWRRSA-N 298.386 3.720 30 20 CHED C=C(C)CCNC(=O)CCCCCc1cccs1 452720036 CWAWNLUQYBAIIK-UHFFFAOYSA-N 265.422 3.933 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](CC)c1ccccc1 452772384 FATGEEPJBJRUDK-AWEZNQCLSA-N 259.393 3.899 30 20 CHED C[C@H]1C[C@@]1(C#N)c1nc(Cc2cccc3ccccc23)no1 453063122 QCJJYGRFBPHBLY-SGTLLEGYSA-N 289.338 3.615 30 20 CHED C=CCCc1noc(-c2ccc(CN(CC)C3CC3)cc2)n1 453248156 PFQXWDBPAOPGSN-UHFFFAOYSA-N 297.402 3.840 30 20 CHED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(C)(F)F 453299592 UWROSOZQMPQFFH-XHDPSFHLSA-N 278.346 3.959 30 20 CHED C=C(C)CCN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 453314118 IJEIRLKMZXFKHO-IAGOWNOFSA-N 287.403 3.724 30 20 CHED C=C(C)CCN[C@@H](C)c1nc2ccc(Cl)cc2n1C 453323618 RYZKSQGKHWMQQJ-NSHDSACASA-N 277.799 3.844 30 20 CHED C=C(C)CN(C)C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 455213387 QRQPLORESGJNHD-SJORKVTESA-N 286.419 3.788 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 457307076 VWTLFIMFUCFDOV-FUHWJXTLSA-N 296.414 3.531 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC(C)(CC(F)(F)F)C1 458806615 BWAHBHPBEWVXJD-UHFFFAOYSA-N 292.345 3.573 30 20 CHED CCN(Cc1ccccc1)C(=O)[C@@H](C)c1cccc(C#N)c1 461739536 FOBDAWYCEHOFPW-HNNXBMFYSA-N 292.382 3.710 30 20 CHED C[C@H]1Cc2ccccc2CN1c1cccc(F)c1C#N 463470437 QBAIQSXBOVUVBE-LBPRGKRZSA-N 266.319 3.649 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@H]1CC[C@@H](C)C1 464471881 CDJAUKSUVHIIBU-KGLIPLIRSA-N 273.376 3.512 30 20 CHED C=C[C@H](C)NC(=O)NCC(C)(C)c1c(F)cccc1Cl 464754976 LVCVVQMWFOQCOU-JTQLQIEISA-N 298.789 3.630 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Cl)cc(Cl)c1 465167120 JNFSDWYAVWQHJZ-SSDOTTSWSA-N 259.136 3.689 30 20 CHED Cc1cc(F)cc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 471695226 WZHZQHMYGIHESN-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCCCC(=O)N[C@@H]1C[C@@H](OCC)C12CCCCC2 479854818 WPELZJNOXCPCOL-HUUCEWRRSA-N 279.424 3.587 30 20 CHED Cn1cc(CN[C@@H]2CCCC[C@@H]2c2ccccc2)cc1C#N 480668401 MPAZOQZVHOGBTI-RTBURBONSA-N 293.414 3.713 30 20 CHED C=C(C)[C@@H](NC[C@H](O)CCC(C)C)c1ccc(F)c(F)c1 482860130 UHNKEOWPISEVNU-RHSMWYFYSA-N 297.389 3.969 30 20 CHED C=CCCCCCN1CCO[C@H](c2cccc(C#N)c2)C1 488127964 PGLMEYWPZUXLBK-SFHVURJKSA-N 284.403 3.678 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)c1ccc(C)c(F)c1 489040753 MEBRTDGBADSLFH-CYBMUJFWSA-N 286.350 3.613 30 20 CHED C=CCCCS(=O)(=O)N(C)[C@@H](C)c1ccc(C)cc1C 489109297 KOSBLGSZGGLLFF-HNNXBMFYSA-N 295.448 3.592 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)C1(C#N)CCC1 489731968 CCQFKIOAORTVMA-HUUCEWRRSA-N 296.414 3.881 30 20 CHED C#CCN(Cc1csc([C@@H](C)OC)n1)C1CCCCC1 490778726 JWSWCUMPVAKFFO-CYBMUJFWSA-N 292.448 3.618 30 20 CHED Cc1csc(NC(=O)/C=C\c2ccccc2)c1C#N 493464125 LEOAMHSAWANWSH-FPLPWBNLSA-N 268.341 3.580 30 20 CHED C=CCN(C)CCCc1ccc(Br)cc1OC 494705380 AVPVLEHIHHIKDO-UHFFFAOYSA-N 298.224 3.508 30 20 CHED C=CCNc1cccc2c1CCN2C(=O)OC(C)(C)C 495639713 PGAYMRNYDIBTSF-UHFFFAOYSA-N 274.364 3.582 30 20 CHED CCCC[C@H](CC)CNC(=O)NCc1cccc(C#N)c1 500239641 WQTNKMLBFYVPIQ-AWEZNQCLSA-N 287.407 3.574 30 20 CHED C=CCc1cc(CN2CCC[C@@H]2C(C)C)cc(OC)c1O 507114786 BNLMNMZAOPTTAR-MRXNPFEDSA-N 289.419 3.750 30 20 CHED C=C(C)CCc1noc(C[C@H](C)c2ccccc2)n1 508610003 UCQQIZADKUTTJT-ZDUSSCGKSA-N 256.349 3.925 30 20 CHED C=C(CNC(=O)N(C)[C@H]1CCC[C@H](C)C1)c1ccccc1 512661373 ROTFXWQFAJCYQH-YOEHRIQHSA-N 286.419 3.920 30 20 CHED N#Cc1cccc(COc2ccc(-c3nncs3)cc2)c1 517387375 QIYMHLQUTFLKSG-UHFFFAOYSA-N 293.351 3.656 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCC(F)(F)C[C@H]1C 529032657 VZVXWZISXYTGOD-SNVBAGLBSA-N 293.317 3.518 30 20 CHED C[C@@H](SCc1ccccc1C#N)C(=O)OC(C)(C)C 530527218 IMGWUSZPIGCYDV-LLVKDONJSA-N 277.389 3.522 30 20 CHED Cc1ccc(OCc2cn3ccccc3c2C#N)cc1 531111106 CLDWWPCEJIBUHW-UHFFFAOYSA-N 262.312 3.698 30 20 CHED C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H](C)S1 533019312 VRDQOSICACREDZ-STQMWFEESA-N 279.836 3.517 30 20 CHED Cc1cccc([C@@H](C)CNCc2ccc(C#N)cc2F)c1 533309737 NQOHNJHXNVPZBZ-AWEZNQCLSA-N 282.362 3.899 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1cccc(OCCC)c1 538333160 VOJSMKQMFGITEX-OAHLLOKOSA-N 289.419 3.879 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC2(C#N)CC2)cc1 540552147 BYFGQNJDZUSRLF-IRXDYDNUSA-N 268.404 3.867 30 20 CHED Cc1ccc(C[C@H](C)NCc2ccc(C#N)s2)c(C)c1 540598914 LUTADSXNKSXMGF-AWEZNQCLSA-N 284.428 3.957 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2ccc(F)c(C#N)c2)c1C 547758373 UUFZPJYGRLLYQU-ZDUSSCGKSA-N 296.345 3.805 30 20 CHED Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1C1CC1 547815744 AXXHQOFECUHXDE-UHFFFAOYSA-N 268.360 3.751 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](C(C)C)C1 549603634 IUDUTLXAWFQQKT-HNNXBMFYSA-N 288.439 3.604 30 20 CHED C=C(C)CN1CCc2cc(Br)cc(F)c2C1 553063196 FQSBTFYUYWWVBH-UHFFFAOYSA-N 284.172 3.522 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1c1ccnc(C#N)c1 553562470 PUACMKPLVWXUFL-HOCLYGCPSA-N 277.371 3.726 30 20 CHED CC[C@@H](F)CNc1ccc(Oc2ccnc(C#N)c2)cc1 562232448 PUWXHCKYHABNHS-GFCCVEGCSA-N 285.322 3.906 30 20 CHED C/C(=C/C=C\c1ccc(F)cc1)c1nc(C)c(C#N)c(O)n1 562432566 PINKJXDBGXLLKK-QULOGMOTSA-N 295.317 3.618 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](CC2CC2)C1 567848320 SAPDZFBWUQMWTC-AWEZNQCLSA-N 283.375 3.521 30 20 CHED Cc1cn(Cc2ccc(C(C)C)nc2C)cc1C#N 569794894 OABDSMYCUZDSJW-UHFFFAOYSA-N 253.349 3.543 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1c1ccc(C#N)nc1 572155643 NXISOXVPUDCAMS-QWHCGFSZSA-N 257.381 3.604 30 20 CHED CC(C)(C(=O)Nc1ccc(Cl)c(C#N)c1)C1CC1 575778519 UVSQXNCZEVNCAY-UHFFFAOYSA-N 262.740 3.586 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](CCC)C1 583577880 RRKSAFQXTYUNNU-OAHLLOKOSA-N 290.455 3.994 30 20 CHED COc1cc(SC)ccc1NC(=O)CCCCCC#N 588723927 WNNRAKRZVMYVDY-UHFFFAOYSA-N 292.404 3.830 30 20 CHED N#CC1(CCN2CCC([C@@H]3CCOC3)CC2)CCCCC1 591026548 ONNOGSPZCOXJBX-QGZVFWFLSA-N 290.451 3.599 30 20 CHED CCOC(=O)c1ccc(S[C@@H]2CC[C@H](C#N)C2)c(F)c1 592361223 ORWZMWXGBBMSAB-CMPLNLGQSA-N 293.363 3.787 30 20 CHED CCCC(C)(C)C(=O)N[C@@H](C)c1cccc(C#N)c1 593085201 YUOGQGATPQYVIT-LBPRGKRZSA-N 258.365 3.562 30 20 CHED CC[C@@H](C#N)C(=O)NC(C)(C)c1ccc(C(C)C)cc1 593451116 UJGXQZUBOJOMOT-ZDUSSCGKSA-N 272.392 3.711 30 20 CHED CC[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(C#N)cc1 594520930 RQGOVEJYWCUFTB-OTWHNJEPSA-N 297.446 3.616 30 20 CHED COc1ccc(F)cc1[C@@H](C)NCCc1ccc(C#N)cc1 595058165 YSNXMRPUQBKZKL-CYBMUJFWSA-N 298.361 3.599 30 20 CHED Cc1cc(C)cc(OCCCN2CCC[C@H](CC#N)C2)c1 595612222 UAFUWNCEMBCUIK-QGZVFWFLSA-N 286.419 3.698 30 20 CHED CCN(CCSc1ccc(Cl)cc1)[C@@H](C)C#N 595812870 OUVUWTTVFORZKZ-NSHDSACASA-N 268.813 3.666 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)CC2(C#N)CCCCC2)C1 596759979 RBLYLGIAVIKJDY-HUUCEWRRSA-N 276.424 3.888 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)CC1(C#N)CCCCC1 597296352 LJWFTMXYXBTLTC-WMZOPIPTSA-N 296.414 3.697 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCCC1CCCCC1 602510920 JTVQCQXCFMATKI-HNNXBMFYSA-N 278.440 3.645 30 20 CHED C[C@@H](CCC#N)CN(C)[C@@H](C)Cc1cccc(F)c1 602687533 MUYMVWSGKKDURJ-KBPBESRZSA-N 262.372 3.628 30 20 CHED C=C(C)[C@H](NCC1(CC#N)CC1)c1ccc(F)c(F)c1 602820441 UFGSVKXAQUFAJD-HNNXBMFYSA-N 276.330 3.865 30 20 CHED Cc1nc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)ccc1C#N 603566924 HMRSBAIONSUYFY-GJZGRUSLSA-N 299.418 3.596 30 20 CHED Cc1ccc2c(c1)N(Cc1cc(C#N)ccc1F)CC2 604505515 DUCZAAVFIYSGFS-UHFFFAOYSA-N 266.319 3.569 30 20 CHED C[C@@H]1c2ccc(F)cc2CCN1Cc1cccc(C#N)c1 610003612 BKYZJTKNDNUQBI-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)CC#N)c1ccccc1C(F)(F)F 610239755 RLWZZFCMMOWMAX-QWRGUYRKSA-N 298.308 3.569 30 20 CHED CC[C@H]1CN(c2c(C#N)cnc3c(C)cccc23)CCS1 610283303 LAPSPZFVRBUJRD-AWEZNQCLSA-N 297.427 3.747 30 20 CHED CC[C@@H](CN1CCC[C@](C)(C#N)C1)c1ccccc1 612406479 NIYOIJUVQZWEFW-DOTOQJQBSA-N 256.393 3.806 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccsc1Cl 613275647 UIVCWNONQGDZTQ-VIFPVBQESA-N 257.786 3.876 30 20 CHED C=CCCNC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 617617415 FUMKMCIXYUHPBL-ZIAGYGMSSA-N 257.377 3.668 30 20 CHED C=CCC1(NC(=O)c2cccc(C)c2Cl)CCOCC1 618248571 MFXYTQXUSQRMFR-UHFFFAOYSA-N 293.794 3.504 30 20 CHED Cc1cc(C#N)ccc1CS[C@@H](C)C(=O)OC(C)(C)C 619466190 CLQWGRRJNANVTP-LBPRGKRZSA-N 291.416 3.830 30 20 CHED CC(C)CC(C)(C)C(=O)NCc1ccc(C#N)c(Cl)c1 619766839 ILHIKNPKCYZEGH-UHFFFAOYSA-N 292.810 3.900 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1[C@@H]1C[C@H]2CC[C@H]1C2 639404192 KZUGHIZSJQOBOY-LBEHMCEESA-N 282.387 3.503 30 20 CHED C=CCN(C(=O)CCc1cccc(OC)c1)c1ccccc1 641897267 IUMVIOXWPUHQAQ-UHFFFAOYSA-N 295.382 3.847 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H](C)C1 642012445 YRJXBROKMSIPAW-UONOGXRCSA-N 273.376 3.560 30 20 CHED CCCN(CC)C(=O)c1ccc(C#Cc2ccccc2)cc1 642058980 RLWZIARTTGKRLY-UHFFFAOYSA-N 291.394 3.959 30 20 CHED C=CCC(C)(C)CNCc1cn(C)nc1-c1ccc(C)o1 647213046 KBALKYQIZMIHST-UHFFFAOYSA-N 287.407 3.680 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N(C)C(C)(C)CC)C1 657092535 ANOGDIQIWCCRKW-CYBMUJFWSA-N 252.402 3.515 30 20 CHED C=CCC1(NC(=O)Nc2ccc(Cl)cn2)CCCC1 664402375 CWSZSKZRFUZVAF-UHFFFAOYSA-N 279.771 3.745 30 20 CHED C=CCN(C(=O)NCc1cc2cc(C)ccc2o1)C1CC1 666473923 NCGWOETWJAWDQA-UHFFFAOYSA-N 284.359 3.601 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cnc(C)s2)cc1 671764805 ZGSYHGYFUMHPJB-GFCCVEGCSA-N 288.416 3.867 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccccc1OC(F)(F)F 675933416 DNRWFCBQFOEVLE-UWVGGRQHSA-N 259.271 3.810 30 20 CHED CCC#C[C@@H](C)N1CCO[C@@H](c2ccccc2Cl)C1 677048170 OJJMJNAOJKHZOB-CZUORRHYSA-N 277.795 3.515 30 20 CHED C=CCC1(C(=O)N2CCCO[C@H](c3ccccc3)C2)CCC1 682892483 QBCKTOPBYRTOEP-KRWDZBQOSA-N 299.414 3.723 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC(C)(C)CC(C)(C)C1 699714978 QEIRKNDOWBFNLM-UHFFFAOYSA-N 278.440 3.991 30 20 CHED CC(=NNc1cnc2ccccc2n1)C1CCCCC1 727258992 YZHBDOQWXGHJHS-UHFFFAOYSA-N 268.364 3.998 30 20 CHED COc1cccc(C(C)=NNc2cccc([N+](=O)[O-])c2C)c1 727973002 OQOSMUUCPAWZGY-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C#Cc1cccc(N(C)C(=O)C(C)(C)c2ccccc2C)c1 728481640 HUAQZKFULLHPJI-UHFFFAOYSA-N 291.394 3.917 30 20 CHED C=CCCCOC(=O)Cc1c(F)cccc1Cl 735529205 YFLWLEMNRXTPMZ-UHFFFAOYSA-N 256.704 3.531 30 20 CHED CS[C@@H](C(=O)OCc1ccccc1C#N)c1ccccc1 740361940 KRYBFXRLMGQDQG-MRXNPFEDSA-N 297.379 3.706 30 20 CHED CCO[C@H]1CC(=NNc2c(F)cccc2F)C12CCC2 741164517 OLHCWEAUJHWCBN-ZDUSSCGKSA-N 280.318 3.712 30 20 CHED CCC(=NNc1cc(Cl)nc(C)n1)c1ccc(F)cc1 741763742 FLGVQRSITQKDOD-UHFFFAOYSA-N 292.745 3.804 30 20 CHED CCOc1ccc([N+](=O)[O-])cc1/C=C/C(=O)c1ccccc1 748584420 QXCJANHPXXGQQT-CSKARUKUSA-N 297.310 3.890 30 20 CHED C[C@H](OC(=O)[C@@H](C)C1CCCC1)c1ccc(C#N)cc1 750200233 BIAXHESQDGQAPX-STQMWFEESA-N 271.360 3.989 30 20 CHED CCCCNN=C1CC(c2cccc(Cl)c2)C1 753923267 DOSJRNYOVHGYDD-UHFFFAOYSA-N 250.773 3.963 30 20 CHED Cc1sc(/C=C\c2ccccc2C#N)cc1C=O 755600067 XJHDIVUBCSUAFP-SREVYHEPSA-N 253.326 3.911 30 20 CHED COc1cc(F)cc(NN=C[C@H]2CCc3ccccc32)c1 755772135 CNHYXRMDGZCDKA-CYBMUJFWSA-N 284.334 3.962 30 20 CHED CCC(=NNc1cc(C)ccn1)c1ccc(OC)c(OC)c1 755900652 NMYUKRHHCOFULS-UHFFFAOYSA-N 299.374 3.633 30 20 CHED C#CC[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 757582227 YTVFWLUAROJNEG-MRXNPFEDSA-N 283.758 3.834 30 20 CHED C=CCN(C(=O)NCc1ccc(Cl)c(C)c1)C(C)C 758745030 PLTKHCCNVLQIDV-UHFFFAOYSA-N 280.799 3.754 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)Cc2ccccc21 759073931 QFRNVSACGLTWCJ-RMKNXTFCSA-N 261.733 3.619 30 20 CHED CC#CCCOC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 760290736 VOALYQVRSQYFKV-UHFFFAOYSA-N 296.322 3.719 30 20 CHED C#CCCc1noc(-c2ccc(SC(C)C)cc2)n1 762000975 JRQNDTVYYMCEKF-UHFFFAOYSA-N 272.373 3.803 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(C#N)s1 762449915 PQWLSDFTOQQRPN-UHFFFAOYSA-N 295.289 3.873 30 20 CHED CSc1ccc(C(C)=NNc2cnccn2)c(Cl)c1 763354535 QPBHMWQMGBNTEQ-UHFFFAOYSA-N 292.795 3.688 30 20 CHED Cc1cc(OC(=O)c2cccc(C)c2F)ccc1C#N 765114233 UVIWROISSANELK-UHFFFAOYSA-N 269.275 3.533 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)[C@H]1C[C@]12CCCc1ccccc12 765630180 SOBDCWLHHVIQBQ-GJYPPUQNSA-N 297.398 3.762 30 20 CHED CCc1ccc(/C=C/C(=O)c2cc(C(=O)OC)co2)s1 766503651 XNTANKYVOFTSKW-VOTSOKGWSA-N 290.340 3.586 30 20 CHED C#CC[C@H](NC(=O)c1c(F)ccc(C)c1F)c1ccccc1 766546291 QSLIQACJSIXCPV-HNNXBMFYSA-N 299.320 3.768 30 20 CHED CC(CCCCO)=NNc1ccccc1C(F)(F)F 766677433 ALFNIAXDPKOLEF-UHFFFAOYSA-N 274.286 3.656 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2cccc(C#N)c2)o1 767362053 LUIAIVZNCZXEBN-NHYWBVRUSA-N 265.316 3.721 30 20 CHED CC#CCCCC(=O)OCc1ccc(SC)c(OC)c1 767677267 YXAPSWCHAGEFCB-UHFFFAOYSA-N 292.400 3.654 30 20 CHED C[C@@H](C(=O)OCc1ccccc1C(C)(C)C#N)C1CC1 768038663 CYOMSIPYTLCBPM-GFCCVEGCSA-N 271.360 3.577 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cccc2nccn12 769607078 HVELKSPSIDVBSI-CLFYSBASSA-N 292.338 3.547 30 20 CHED C[C@@H](C#N)COC(=O)c1cc2c(s1)-c1ccccc1OC2 770929413 KSHHTTLRPVQHIL-JTQLQIEISA-N 299.351 3.624 30 20 CHED COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc(C#N)cc2)cc1 771698520 NCQKORWQKRXGTK-ACJLOTCBSA-N 296.370 3.755 30 20 CHED C#CCN(Cc1ccc(C)o1)[C@@H]1CCc2ccccc21 772600153 VCVRFSKHEWBWPP-GOSISDBHSA-N 265.356 3.711 30 20 CHED CCOCCON=Cc1ccc(-c2ccccc2OC)cc1 774423715 XOOCCBSTEKZETC-UHFFFAOYSA-N 299.370 3.749 30 20 CHED C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc[nH]1 775425309 XORLECKABONVQY-PXAZEXFGSA-N 265.360 3.615 30 20 CHED C=CCCOCCCCC(=O)Nc1cnc(Cl)cc1C 775780023 AYVDTNSYKJSVNF-UHFFFAOYSA-N 296.798 3.745 30 20 CHED C=CC[C@H](N[C@@H]1C[C@H](OCC)C12CCC2)c1ccncc1 776155968 JNQPZOOJEDIZRK-BBWFWOEESA-N 286.419 3.636 30 20 CHED CCCC(CC)=NNc1nc2cc(F)c(F)cc2[nH]1 776186533 URHYUHPPTSYNHT-UHFFFAOYSA-N 266.295 3.819 30 20 CHED Cc1ncsc1/C=C1/CCc2ccc(F)cc2C1=O 776191143 BWYFEPWLIBYFSN-WDZFZDKYSA-N 273.332 3.803 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C)cc(Br)c1 777006167 JRAMOBDLOIWRJI-UHFFFAOYSA-N 294.192 3.746 30 20 CHED CC(=NOC1CCCCC1)c1cc([N+](=O)[O-])ccc1C 777457089 KHQSIUMPMQIZBS-UHFFFAOYSA-N 276.336 3.977 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(F)c2)cc1Cl 778539484 YLILUIZJSCZOPN-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CC(=NNCCOC(C)C)c1ccc(SC(C)C)cc1 778547521 XHIKNMLRIYAVDX-UHFFFAOYSA-N 294.464 3.926 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C\c1ccccc1F 778985065 XYIXXMXWWVFOTC-KTKRTIGZSA-N 299.345 3.689 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C)c(OCC)c1 779901464 IDNLPEWGLYDIHF-UHFFFAOYSA-N 273.376 3.916 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C 780276734 LIQONGGBLORUDK-QWHCGFSZSA-N 289.341 3.760 30 20 CHED COc1cc(C#N)ccc1OC(=O)C1(C)CCCCCC1 781108259 OINGTBICVDMERA-UHFFFAOYSA-N 287.359 3.833 30 20 CHED C[C@H]1CCCC[C@H]1C=NNc1ccc([N+](=O)[O-])cc1 783769736 AEZZYKIJTPPQBO-RYUDHWBXSA-N 261.325 3.819 30 20 CHED CCCCCCCC(=O)NCC[C@@H]1CCO[C@H](C)C1 784375363 RFHKVFISPLBBOP-HUUCEWRRSA-N 269.429 3.668 30 20 CHED C=CCCO[C@@H](C)C(=O)OCCCc1ccccc1Cl 785246294 YMYHKYLXVOBQIS-ZDUSSCGKSA-N 296.794 3.797 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1O[C@@H](C)C#N 785916707 IBCZDSBTCWLPLL-UONOGXRCSA-N 299.374 3.550 30 20 CHED C/C(C=NO[C@@H]1CCCCO1)=C\c1cccc([N+](=O)[O-])c1 787163476 RNGARKCMMNSESW-FXKBRYBWSA-N 290.319 3.527 30 20 CHED C#Cc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)cc1 787770233 DCVLHYPBDSNZFX-LJQANCHMSA-N 276.383 3.708 30 20 CHED COc1cc(NN=Cc2ccc(C#N)s2)ccc1Cl 788467653 LGHAIHPQFREPMA-UHFFFAOYSA-N 291.763 3.728 30 20 CHED CC[C@H](C)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 790188260 FRUCFVLITQFESL-NSHDSACASA-N 290.798 3.556 30 20 CHED CC(C)(C)c1cnc(/C=C/C(=O)c2cncc(F)c2)s1 790601355 UATNTHXNFNBKLT-SNAWJCMRSA-N 290.363 3.871 30 20 CHED C#Cc1cccc(NC(=O)CCSCc2ccccc2)c1 791486552 LVDVCDHRQNNMNB-UHFFFAOYSA-N 295.407 3.930 30 20 CHED Cc1ccc(OC(=O)C[C@@H](CC#N)c2ccccc2)cc1 792864592 HAIAGFFVKDBECG-MRXNPFEDSA-N 279.339 3.988 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C)[C@@H]1CCCOC1 793553434 MILHYNNFVQLKBA-HRCADAONSA-N 253.430 3.916 30 20 CHED CSCCON=Cc1ccc(Sc2ccccn2)o1 794571731 GAKOEQXFCMXCMD-UHFFFAOYSA-N 294.401 3.539 30 20 CHED C[C@H](ON=C1CCOc2ccccc21)c1cccc(C#N)c1 794714370 FTABVDFQRFGSGR-ZDUSSCGKSA-N 292.338 3.823 30 20 CHED Cc1cccc(NN=C2CCOc3cc(F)ccc32)c1 794854158 CXPUWAVDXKJCGB-UHFFFAOYSA-N 270.307 3.733 30 20 CHED Fc1cccc(NN=C2CCSc3ccccc32)n1 795006431 HZOMYCGAGNTZSQ-UHFFFAOYSA-N 273.336 3.533 30 20 CHED COC(=O)c1occc1/C=C/C(=O)c1cc2ccccc2o1 796992387 PMIIKOACXZLSJT-VOTSOKGWSA-N 296.278 3.709 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@H](c2ccccn2)C1 799193943 ORSAPISIUKVRLQ-YOEHRIQHSA-N 277.371 3.504 30 20 CHED CCC/C=C/C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799772982 VODUZGXIVSMTOG-SNAWJCMRSA-N 298.264 3.752 30 20 CHED C[C@@H](C#N)OCCOc1ccc2oc3c(c2c1)CCCC3 802726751 OZVFUMGCNQYEFC-LBPRGKRZSA-N 285.343 3.619 30 20 CHED CC[C@@](C)(C#N)C(=O)OCc1ccc(CC(C)C)cc1 803785541 ZYZRQKGJFXEHNQ-KRWDZBQOSA-N 273.376 3.868 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1OCCc2ccccc21 805217984 OQIVPRLGDKYRMT-QGZVFWFLSA-N 287.403 3.553 30 20 CHED COc1ccc(/C=C\C(=O)c2ccsc2)c(C)c1OC 806571864 PDDASUQWOFYCQL-XQRVVYSFSA-N 288.368 3.970 30 20 CHED CCCCN(C)C[C@H](C)Nc1nc2ccccc2cc1C#N 808177381 SGEVKHCBMWISJP-AWEZNQCLSA-N 296.418 3.639 30 20 CHED C=CC[C@H](C(=O)Nc1cccc2nonc12)c1ccccc1 808801129 DHPJTHJDRMGPKN-ZDUSSCGKSA-N 293.326 3.521 30 20 CHED CC(C)CCOc1ccc(C(=O)/C=C\c2cnccn2)cc1 809153568 XVJIGKSMCNYPIS-YVMONPNESA-N 296.370 3.798 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C/c2cnccn2)c1 809156727 JNCPIVLDSGXUOB-VOTSOKGWSA-N 266.344 3.571 30 20 CHED C=CCCCCC[C@H](C)N[C@H](CO)C1CCCC1 810259430 JADUUHQMYYMLHS-GOEBONIOSA-N 253.430 3.652 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccnc(Cl)c1C 810295206 ITVKDJOWVGAYAY-NSHDSACASA-N 279.771 3.616 30 20 CHED N#CCC1(OC(=O)c2ccc3sccc3c2)CCC1 810858028 ICDDJBCZFNMLDR-UHFFFAOYSA-N 271.341 3.894 30 20 CHED CCCC[C@@H](C)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 811520323 NAAHLQJJHSIWNY-CABCVRRESA-N 274.408 3.988 30 20 CHED CCC(=NOC/C=C/Cl)c1ccc(OC)c(OC)c1 811669580 GMYPBPOOJOZHED-VYFSFNTMSA-N 283.755 3.587 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1csc2ccccc12 812033201 ZKCPOHNWYINWDB-NEPJUHHUSA-N 286.400 3.625 30 20 CHED CCOc1ccc(C(C)=NOCC2CC2)cc1OCC 814242414 ZRVDUPQMFUBJTH-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C#CC[C@@H](NC(=O)NCC(C)(C)CC=C)c1ccccc1 814378113 KLVQQDRREBDILE-MRXNPFEDSA-N 284.403 3.653 30 20 CHED CC(C)(C)CCNN=C1CC[C@@H]2CNc3cccc1c32 814901273 GTXPHVFRGZPURW-GFCCVEGCSA-N 271.408 3.719 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1c(CC)noc1C 815638446 WDAISMAVGGWKFU-NSHDSACASA-N 250.386 3.798 30 20 CHED CCN(c1ccc(NC[C@H](C#N)CCC#N)cc1)C(C)C 819398961 WVVDJFRGRBCNKN-HNNXBMFYSA-N 284.407 3.777 30 20 CHED C=CCN(C(=O)Nc1cccc(C)c1Cl)[C@@H](C)COC 821514854 JPYHDJHYWKUAAP-LBPRGKRZSA-N 296.798 3.703 30 20 CHED C#C[C@@H](CC)NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 821567262 JHPRTGMPGTZOLB-MAUKXSAKSA-N 296.414 3.650 30 20 CHED C=C[C@H](CC)CC(=O)NCc1ccc(-c2cnco2)cc1 822354735 XRTOAHVTLLZKLJ-CYBMUJFWSA-N 284.359 3.560 30 20 CHED CC1(CCC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 822957766 ITHXUHKIMUHUET-INIZCTEOSA-N 282.387 3.632 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N(C)CC(C)(C)C#N 823155970 RVWGBONGLLOTOU-MRXNPFEDSA-N 286.419 3.572 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C1 828293120 KNTOJQYFCUQCDR-ZHALLVOQSA-N 296.414 3.723 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nnc(-c3ccccc3)s2)C1 829159321 PVYUGMAOFRBDSL-ZYHUDNBSSA-N 287.413 3.989 30 20 CHED CC1=C(C)C[C@H](C(=O)OCc2ccc(CC#N)cc2)CC1 829810786 UDYMOMUCMKHGAV-QGZVFWFLSA-N 283.371 3.932 30 20 CHED C#CCCCN[C@H](CCOC)c1cccc(C(F)(F)F)c1 831857944 OWOMFFPSBLEENG-OAHLLOKOSA-N 299.336 3.786 30 20 CHED C=CCCC[C@@H](C)N[C@H](C(=O)O)c1cccc(Cl)c1 833373972 LXRAJRZZYACJQQ-RISCZKNCSA-N 281.783 3.800 30 20 CHED C=CC(C)(C)COC(=O)c1ncoc1-c1ccc(F)cc1 835723310 SECIBVPEQSNFGT-UHFFFAOYSA-N 289.306 3.850 30 20 CHED C=C(CC)COC(=O)c1nc2ccccc2nc1C1CC1 838100699 WTULXIMTMMHTDG-UHFFFAOYSA-N 282.343 3.630 30 20 CHED C#CCCCCC(=O)O[C@H](CC)c1ccnc(Cl)c1 838914800 IXVJMECFCCOYJB-CYBMUJFWSA-N 279.767 3.923 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)/C=C/c2ccc(Cl)cc2)C1 839044198 PRLIMUNTPYKQKY-CXGCFGFRSA-N 289.762 3.979 30 20 CHED CC(C)c1ccoc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839063118 PUMYUCRWAUVPON-NWDGAFQWSA-N 261.321 3.642 30 20 CHED C#CCC1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCCCC1 839451420 YLQAVZWKTLADQD-GJZGRUSLSA-N 273.376 3.586 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)CCCc1cccnc1 840712122 WBWOAZOQUHLHHU-KELUXRKGSA-N 298.386 3.626 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC#N)c2ccccc12 842310957 QCSDJVNDQRQOML-LBPRGKRZSA-N 253.301 3.607 30 20 CHED CC[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(F)(F)F 842370174 QKGOASCRGOFSKX-XQQFMLRXSA-N 297.276 3.546 30 20 CHED C=C[C@H](CC(=O)OCCc1ccncc1C)c1ccccc1 842399135 RLDJARKXJVTWDE-MRXNPFEDSA-N 295.382 3.836 30 20 CHED CSc1ccc2c(c1)C(=NNc1ccccn1)CCC2 842523665 TWSRKQFLAVURBR-UHFFFAOYSA-N 283.400 3.956 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H](OC(C)C)C1 844768200 MGIVQHBYQLNXOB-OAHLLOKOSA-N 269.429 3.763 30 20 CHED C#CCCCCN[C@@H](c1ccc(OC)cc1)c1ccccn1 846154117 NZPLJNCNHYTMKD-IBGZPJMESA-N 294.398 3.573 30 20 CHED CCSc1cc(CNc2ccc(C#N)cc2C)ccn1 846751810 MTQYKAXJUIVBRM-UHFFFAOYSA-N 283.400 3.986 30 20 CHED C[C@H]1CC(=NNc2ccc(CC(=O)O)cc2)CC[C@H]1C 848413643 BBMCKLFMUQWUAA-NEPJUHHUSA-N 274.364 3.538 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@@H](O)c2cccc3ccccc23)C1 850515627 GKUDVUZWYHQGNT-SIXWZSSISA-N 294.398 3.545 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CC[C@@H]2CC2(Cl)Cl)C1 851083547 KTVXKFHGYNOHEE-GMTAPVOTSA-N 290.190 3.586 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1cccc(Cl)c1 851213070 CSTFGJAPKVFUJO-SNVBAGLBSA-N 265.740 3.825 30 20 CHED CC[C@H](c1ccccc1)N(CCOCCC#N)C(C)C 852690369 AZWVVHUZGWMGSK-QGZVFWFLSA-N 274.408 3.778 30 20 CHED Fc1cccc(NN=C[C@H]2CCC[C@H](C(F)(F)F)C2)n1 853344235 IOVKJZMIKXHVNI-UWVGGRQHSA-N 289.276 3.987 30 20 CHED C[C@H]1CCCCN1N=Cc1cn(C)nc1C1CCCCC1 853380225 QTMOTFVPQMQYFF-AWEZNQCLSA-N 288.439 3.676 30 20 CHED Clc1ccc(-c2cnc(CON=CC3CC3)o2)cc1 853735148 NXYUVAAEJDOGNO-UHFFFAOYSA-N 276.723 3.907 30 20 CHED C=CCCC[C@@H](C)OC(=O)c1cnc2n1CCCCC2 857015768 AZCIXEXKNXOSEC-CYBMUJFWSA-N 276.380 3.511 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(OC)c(Cl)c1 860198549 XXFFMNBQZGHDIY-UHFFFAOYSA-N 295.766 3.722 30 20 CHED CC(C)c1nocc1C(=O)OCCCCC(C)(C)C#N 860229820 NLUFBRFJIXQXTH-UHFFFAOYSA-N 278.352 3.675 30 20 CHED N#Cc1cc(F)ccc1CSCC[C@@H]1CCCC1=O 863393983 XMKRNXBZRJVXNJ-NSHDSACASA-N 277.364 3.690 30 20 CHED CCCCCCC[C@H](C)CNC(=O)C1(F)CCOCC1 864965994 YWMXGIOIQVFMCH-AWEZNQCLSA-N 287.419 3.618 30 20 CHED Cn1ccc(/C=C2\C(=O)c3ccccc3SC2(C)C)n1 871670808 DJOQPEGIHAMWSI-JLHYYAGUSA-N 284.384 3.571 30 20 CHED CC[C@@H]1[C@H](C)CCN1CC[C@@](C#N)(C(C)=O)c1ccccc1 878453957 PXOJKAZZYBVTNV-ATZDWAIDSA-N 298.430 3.547 30 20 CHED CC#CCCNC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 879412084 KGGSOWKUBUZQRM-UHFFFAOYSA-N 297.320 3.513 30 20 CHED C=CCC1(O)CCN([C@H](CC)c2ccc(F)cc2)CC1 886766642 NVIQUIGZRCJIFB-MRXNPFEDSA-N 277.383 3.680 30 20 CHED C=C1CCC(C(=O)Nc2ccc3c(C(=O)O)c[nH]c3c2)CC1 887328011 HVTBHXVHORHBOJ-UHFFFAOYSA-N 298.342 3.551 30 20 CHED CCCCCCCCNC(=O)[C@H]1CCOC2(CCC2)C1 889696302 HSSOQMUFACXOLL-HNNXBMFYSA-N 281.440 3.812 30 20 CHED C=C1CC(c2noc(-c3cc(C)n([C@H](C)CC)n3)n2)C1 896884308 PEESOZFRCBFGAF-SNVBAGLBSA-N 272.352 3.646 30 20 CHED C=CCC1(C(=O)NCc2ccc(-c3cnco3)cc2)CCC1 898061755 HWEGWZRRNVIDBZ-UHFFFAOYSA-N 296.370 3.704 30 20 CHED COC(=O)c1cc(C)cc(NCCCC(C)(C)C#N)c1 901435149 JYCCCOXSZJWODZ-UHFFFAOYSA-N 274.364 3.524 30 20 CHED CCN(CC)CCSCCCCC1(C#N)CCC1 901497508 TUUDBKNXTPGJCU-UHFFFAOYSA-N 268.470 3.926 30 20 CHED CC[C@@H](CSC)N[C@H](CC)c1cccc(C#N)c1 902894760 PFKPRHVEIIEPTH-LSDHHAIUSA-N 262.422 3.741 30 20 CHED C=C[C@H](CC)CC(=O)Nc1c(F)cc(C(C)=O)cc1F 904063699 MSPVGGOQLBLKGG-SNVBAGLBSA-N 281.302 3.708 30 20 CHED C(=NO[C@@H]1CCCCO1)c1cccc(Oc2ccccn2)c1 905457095 MXTTXVYPMFURBG-QGZVFWFLSA-N 298.342 3.751 30 20 CHED Cn1c(-c2ccc(C3(C#N)CCC3)cc2)cnc1Cl 906185440 OMJZEVWSTJZXPA-UHFFFAOYSA-N 271.751 3.686 30 20 CHED C=CCC1(C(=O)Nc2cc(C(=O)O)c(C)cc2F)CCC1 911690721 YRQOZANWLSPOPN-UHFFFAOYSA-N 291.322 3.517 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2cccc(C)c2)c1 912787281 ASQQDCKWYBFQLY-LDADJPATSA-N 269.344 3.718 30 20 CHED CCC(C=NNCc1cccc2cccnc12)CC 915959781 RMXQUCNCHSFBBQ-UHFFFAOYSA-N 255.365 3.746 30 20 CHED C=CCN(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 916122308 PESDZGVWJZYRPB-DZKIICNBSA-N 286.444 3.742 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1)c1cccs1 916243254 SPNYJXQWEOFBGJ-UHFFFAOYSA-N 275.333 3.883 30 20 CHED COc1ccc(CCC(C)=NNc2ccccn2)cc1 916273562 KJXORPKIFFGNLG-UHFFFAOYSA-N 269.348 3.511 30 20 CHED Clc1ccc(C=NNc2ncccc2Cl)s1 917546290 JYZGQRMTUZIJGG-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CCOc1ccc(O)c(/C=N/[C@H](C)c2cccc(OC)c2)c1 917558768 XXPURGGPRSWAMD-KZKLBEMASA-N 299.370 3.980 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2ccc(C)c(OC)c2)c1 920175393 WGWGLPSAHWVSJP-XDHOZWIPSA-N 299.370 3.727 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H]2CCCC[C@H]2C)c1 920235288 QQSVOUWEUJPESH-HIFRSBDPSA-N 270.376 3.616 30 20 CHED COc1ccc(C(C)=NNc2cccc(F)c2)cc1OC 920384516 WGJHIDZUSBEHQW-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 922241379 IBQGZIGIHIASQS-BLLLJJGKSA-N 297.402 3.518 30 20 CHED CC(C)c1cc(NC(=O)C#CC(C)(C)C)ccc1O 922378104 RKSGFNDWVIOCRP-UHFFFAOYSA-N 259.349 3.504 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H](C)Oc1cccc(F)c1 925156834 QSKLIWZUGOGYJX-QWHCGFSZSA-N 278.371 3.511 30 20 CHED CSCc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1 926416620 QPYSNSCSOSSBMC-ZDUSSCGKSA-N 276.449 3.968 30 20 CHED CCC(=O)N(C)c1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 926853514 WSXXTEWTZFDHDT-ZDUSSCGKSA-N 287.407 3.800 30 20 CHED C=CCC[C@@H](NCCc1nc2c(s1)CCC2)C1CC1 926932399 WSZDTPSLUKMRST-CYBMUJFWSA-N 276.449 3.509 30 20 CHED C=C[C@@H](CC)CC(=O)N(Cc1cccnc1)Cc1ccco1 935092551 KTELQMKORMBZEF-HNNXBMFYSA-N 298.386 3.806 30 20 CHED C=C(CC)C(=O)N([C@@H](C)COC)[C@@H]1CCc2ccccc21 1123937825 XSLKYORGIULXRD-WMLDXEAASA-N 287.403 3.504 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1129724236 GLRKOSYUQYGSGH-TUVASFSCSA-N 263.381 3.828 30 20 CHED COc1cccc2c1CN(Cc1ccc(Cl)cc1C#N)C2 1232609571 KKTSZMKPIJLYMV-UHFFFAOYSA-N 298.773 3.736 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1ccc(Cl)c(F)c1 1261360274 GEGLTRYNKIEZLV-NXEZZACHSA-N 254.736 3.822 30 20 CHED CC(C)(C#N)CNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1320261147 IEAHYQRVXSEJGL-UHFFFAOYSA-N 298.430 3.682 30 20 CHED Cc1coc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1C 1321834295 UANDHTCUQVMOET-UHFFFAOYSA-N 296.370 3.819 30 20 CHED C#CCN(CC1CC1)C(=S)Nc1cccc(C(C)C)c1 1324381603 LHCMZDPSPDCQOV-UHFFFAOYSA-N 286.444 3.852 30 20 CHED CC(C)N(Cc1cccs1)C(=O)c1csc(C#N)c1 1325104509 RDMIUIFCMUBHKX-UHFFFAOYSA-N 290.413 3.732 30 20 CHED CC#CCCCc1nnc([C@@H](C)Oc2ccccc2F)o1 1326971392 SNSFCKXHZBKKHX-GFCCVEGCSA-N 288.322 3.695 30 20 CHED CCn1nnc(C)c1CSCCCCC(C)(C)C#N 1327534543 YRMQGTVJTCYRJS-UHFFFAOYSA-N 280.441 3.560 30 20 CHED C[C@@H]1CCC[C@@H]1Cc1nnc(-c2ccc(C#N)cc2)o1 1327864372 JSDQEYAEMHKYSX-BXUZGUMPSA-N 267.332 3.587 30 20 CHED CC(C)n1ncc2c1[C@@H](N[C@H](C)CC(C)(C)C#N)CCC2 1332880204 FMXAQLIEEPOADY-HIFRSBDPSA-N 288.439 3.759 30 20 CHED C=C(C)CCC(=O)Nc1cc2sc(C)nc2cc1OC 1337112657 BKBLYWNTPIALEB-UHFFFAOYSA-N 290.388 3.908 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1-c1nccs1 1337893479 OKHSMSIEZVSXJA-UHFFFAOYSA-N 285.372 3.688 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc(Cl)sc1Cl 1339068015 SURRVABHZFLGSF-SSDOTTSWSA-N 291.203 3.819 30 20 CHED C#CCN(CC1CC1)C(=S)Nc1ccc2ccccc2c1 1341076583 JHEFIIOSFLIVRO-UHFFFAOYSA-N 294.423 3.882 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)Cc1ccoc1)c1cccs1 1345146746 HHPLBNRPLOPKLO-SWLSCSKDSA-N 289.356 3.718 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)[C@@H]1CCSC1)c1cccs1 1345146888 JKYCDCOQLCXXQC-WZRBSPASSA-N 295.429 3.635 30 20 CHED C=CC[C@H](c1ccccc1)c1nnc([C@@H]2CCO[C@H]2C)o1 1346006050 ZBRIVUARJLPDLR-NWANDNLSSA-N 284.359 3.670 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)c1c[nH]cc1C)c1cccs1 1346404969 XOQCQAAEOUUROY-BXUZGUMPSA-N 288.372 3.833 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@@H](C)[C@H]1C 1346485075 WNUBAMYCXVAWQX-UPJWGTAASA-N 294.468 3.513 30 20 CHED C=C(CC)C(=O)Nc1ccc2oc(C(C)C)nc2c1 1348506982 RJTGNMCLMJLNFW-UHFFFAOYSA-N 258.321 3.856 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1c1cccc(F)c1 1353539204 JXZGJZYXHPIDQI-HNNXBMFYSA-N 261.340 3.846 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@H](C)CC[C@H]1C 1359141549 KLWDCRNEORERIY-DGCLKSJQSA-N 296.846 3.779 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CN=c1cc[nH]cc1C#N 1458141980 IFRIFGNKUJSHCO-ZFWWWQNUSA-N 271.408 3.640 30 20 CHED Cc1cccc(C2=CCN(c3cc(C)c(C#N)cn3)CC2)c1 1458282308 QJHAIHVLUCJLDJ-UHFFFAOYSA-N 289.382 3.864 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)Nc1cccc(C#N)n1 1461148482 FQZBJFVWVWDEJV-CQSZACIVSA-N 285.391 3.888 30 20 CHED C[C@@H]1CC(C)(C)c2cccc(NC(=O)N3CC(C)(C#N)C3)c21 1477111870 SOSLHTFQNJELQA-GFCCVEGCSA-N 297.402 3.849 30 20 CHED N#Cc1cccc(COC(=O)CC[C@@H]2CC2(Cl)Cl)c1 1515188606 JIGOBRTWTWGXMF-GFCCVEGCSA-N 298.169 3.575 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1F 1534755045 HPATYLNPZUUCME-AWEZNQCLSA-N 288.366 3.738 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 1545049114 XEPVSMBVAUTDBZ-UHFFFAOYSA-N 292.338 3.598 30 20 CHED CCCc1ccc(Nc2cc(C)c(C#N)cn2)cc1 1559047806 FITAQLRDDZGAII-UHFFFAOYSA-N 251.333 3.958 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)cs2)ccc1Cl 1584960414 NMYAQILFYAOEDJ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED N#CC[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1ccccc1 1586240635 JMMFCZDAXUEVCD-FGTMMUONSA-N 296.414 3.769 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(C)cc(Cl)cc1C(=O)O 1588673334 RHQSBKMHOTUPGY-UHFFFAOYSA-N 295.766 3.887 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)cc1C(=O)O 1588691272 WDPHZNBAOHIVMP-VIFPVBQESA-N 281.739 3.579 30 20 CHED C=CC[C@H](Sc1ncc(C(C)C)n1C(C)C)C(=O)O 1588759665 YMSCXDYASBWXSK-LBPRGKRZSA-N 282.409 3.709 30 20 CHED CC1(CNc2cccc(F)c2C#N)Cc2ccccc2C1 1612139235 PIKIMLWJDOVHSN-UHFFFAOYSA-N 280.346 3.914 30 20 CHED Cc1cc(N2CCC(c3ccccc3C)CC2)ncc1C#N 1612237204 AOVGSMWYHQYXGR-UHFFFAOYSA-N 291.398 3.954 30 20 CHED N#Cc1ccc(CCOc2ccc(C#N)c(Cl)c2)cc1 1613720795 POBJVNRVORJAQN-UHFFFAOYSA-N 282.730 3.705 30 20 CHED CCC(CC)(CNc1nc(C)cc(C#N)n1)c1ccccc1 1642344703 WEXUIFBWXBXFCM-UHFFFAOYSA-N 294.402 3.827 30 20 CHED N#Cc1cncc(NC(C2CCCC2)C2CCCC2)n1 1651440864 NUQZBAHPPPQFOF-UHFFFAOYSA-N 270.380 3.509 30 20 CHED CC(C)CC[C@H]1CCCCN1Cc1cc(C#N)ccn1 1653689727 KUBJTUWERLIAAA-QGZVFWFLSA-N 271.408 3.744 30 20 CHED COc1cccc(CN2CCCC(C)(C)[C@H]2C#N)c1C 1654372843 ZWLMHNMNRXOBHO-MRXNPFEDSA-N 272.392 3.518 30 20 CHED CCC[C@H]1CCCC1=NNc1ccccc1C(=O)O 1776030551 OMVPMWPFOOCNAM-NSHDSACASA-N 260.337 3.753 30 20 CHED CC(=NNc1ccc(CC(=O)O)cc1)C1C(C)(C)C1(C)C 1776084708 JPWJSPUOYCXLIW-UHFFFAOYSA-N 288.391 3.784 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(F)c(C(=O)O)c2)cc1 1776114512 RMBHUBXUCNAUPE-WEVVVXLNSA-N 284.286 3.728 30 20 CHED C=C[C@H](CCC(=O)O)NCc1ccc(SC)c(Cl)c1 1776149126 IOJIPUQGRDDQOH-LLVKDONJSA-N 299.823 3.571 30 20 CHED C=CCc1ccccc1CN1CC=C(C(C)(C)C(=O)O)CC1 1776188098 UMZZFUJKTHWKDN-UHFFFAOYSA-N 299.414 3.658 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F 7717552 ZTBSACGBNKMFGD-FPYGCLRLSA-N 289.237 3.769 30 20 CHED Cc1cc(C)c(CC(=O)Nc2cc(C#N)ccc2C)c(C)c1 179884665 JXYWBURDKJTAMC-UHFFFAOYSA-N 292.382 3.973 30 20 CHED Cc1ccccc1CC(=O)N(C)c1cc(Cl)ccc1C#N 176430935 CNEZGLVRTNYDCG-UHFFFAOYSA-N 298.773 3.726 30 20 CHED CC[C@@H](C)c1ccccc1OC(=O)c1ccc(C#N)cn1 107430527 YNSGKRRHAOEAIA-GFCCVEGCSA-N 280.327 3.686 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cnc(C)s2)c1 66462910 DAIAXOGNBPFSMU-UHFFFAOYSA-N 288.372 3.659 30 20 CHED C=C(Cl)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 117432723 LAYUNTRLJBTZNE-UHFFFAOYSA-N 281.627 3.556 30 20 CHED Cc1ncc(CSCc2ccc(F)cc2C#N)s1 68954085 CRNVYNGJKOJXLP-UHFFFAOYSA-N 278.377 3.896 30 20 CHED CCN(C(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1 174073505 KKMRHUKDEIRMPV-UHFFFAOYSA-N 286.281 3.503 30 20 CHED C/C(=C\C(=O)N(C)[C@H](C)CC#N)c1ccccc1Cl 171549608 YVAOEIXCRIZYJC-HCRIHEDKSA-N 276.767 3.504 30 20 CHED CCc1ccc([C@@H](CO)N[C@H](C)c2cccc(C#N)c2)cc1 305779094 MWUKKQNLADRHKJ-AUUYWEPGSA-N 294.398 3.505 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 115972639 UHBUCGNGZXNRGT-OLZOCXBDSA-N 298.292 3.579 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(C)ccc2O)cc1 179484297 NLWSJYJCMSWSIG-UHFFFAOYSA-N 294.354 3.570 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1 173016877 KGYGRASLTLIISZ-SOFGYWHQSA-N 294.350 3.664 30 20 CHED N#Cc1cccc(C#N)c1NCc1ccc(Cl)cc1F 302873204 CXFRJQHBSPSSJC-UHFFFAOYSA-N 285.709 3.835 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(OC(F)F)c(F)c1 117001828 FUYSFCOHSZOPGR-QMMMGPOBSA-N 288.269 3.513 30 20 CHED CC1(C)CC[C@H](C(=O)Nc2ccc(CC#N)cc2)C1 358894330 BDNKZKOGKJBSTN-ZDUSSCGKSA-N 256.349 3.517 30 20 CHED C=CCCC(=O)Nc1ccc(OCCc2ccccc2)nc1 303660220 AVFIBDHDDLVZBW-UHFFFAOYSA-N 296.370 3.608 30 20 CHED N#CCCCN1CCCCC[C@H]1C[C@@H](O)c1cccs1 175863347 QVPQSDPBQSDXLN-LSDHHAIUSA-N 292.448 3.720 30 20 CHED CCCCCC[C@H](C)C(=O)N(CC)C[C@H](C)C#N 173123833 HFRKQOYTXRRRAF-KGLIPLIRSA-N 252.402 3.601 30 20 CHED C=CCCO[C@H](C)C(=O)N(C)[C@@H](C)c1ccccc1Cl 69343793 NRWAMUMZCQJNQR-QWHCGFSZSA-N 295.810 3.841 30 20 CHED C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)OCCCC#N 172425379 DHEGZSHFNZYVLP-LLVKDONJSA-N 299.292 3.731 30 20 CHED C=C(C)CNC(=O)CCCSc1ccc(Cl)cc1 123093728 WKRZTFAULHAQIB-UHFFFAOYSA-N 283.824 3.905 30 20 CHED N#CCOc1cc(F)ccc1NC(=O)CC1CCCCC1 120367493 LPWFDBABCNZKFY-UHFFFAOYSA-N 290.338 3.637 30 20 CHED COCc1cccc(COc2ccc(C#N)c(C)c2)c1 434649302 WLAWPQVHXMRNNU-UHFFFAOYSA-N 267.328 3.592 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc(-c2ccc(C)o2)s1 183855313 BKIIYFSSSMWDOB-NSHDSACASA-N 288.372 3.739 30 20 CHED C=C(C)CN(C)C(=O)c1sc(-c2ccc(C)o2)nc1C 180459959 ZKYOUPWJEYFCLG-UHFFFAOYSA-N 290.388 3.668 30 20 CHED C=CC[C@@H](C)N[C@H](Cc1cccc(OC)c1)C1CC1 180948618 UKKFRDYEZGZJPE-CXAGYDPISA-N 259.393 3.571 30 20 CHED C=C(C)CN(C)C(=O)C[C@@H](c1ccccc1)C(C)C 180475451 MGFMRWQRALTWLU-MRXNPFEDSA-N 259.393 3.851 30 20 CHED Cc1ccc(F)c(C(=O)Nc2cccc(CC#N)c2)c1F 313455593 XVXXJMKZWVRRNS-UHFFFAOYSA-N 286.281 3.592 30 20 CHED N#Cc1cc2ccccc2nc1N1Cc2ccccc2C1 71390035 FFQNCCTXHZIJMT-UHFFFAOYSA-N 271.323 3.627 30 20 CHED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccncc1 181806463 ZUWRDMRULVVRTD-CXAGYDPISA-N 265.360 3.755 30 20 CHED C=CC[C@H](C)N[C@H](Cc1cccc(OC)c1)C1CC1 180948602 UKKFRDYEZGZJPE-SUMWQHHRSA-N 259.393 3.571 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c[nH]nc1-c1ccsc1 189013088 LHXLTXHHQSZHOQ-NSHDSACASA-N 289.404 3.613 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(F)cc2)cc(OC)c1 211739551 CTWDWWHURMVTSD-BAQGIRSFSA-N 286.302 3.739 30 20 CHED C=CC[C@H](C(=O)N1CCC(C=C)CC1)c1ccccc1 187862599 JFTJUWYCNFPHQH-KRWDZBQOSA-N 269.388 3.771 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CCC)CC1CC1 181098986 SGLZCLKWJWZMCC-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C[C@@H]1O[C@H](C)C[C@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 413544169 YILZVQGQSFCGER-SCVCMEIPSA-N 298.308 3.802 30 20 CHED Cc1cccc(-n2ccnc2SCCCCC#N)c1 122035182 ZSSWBWFMJVVMPD-UHFFFAOYSA-N 271.389 3.967 30 20 CHED CC(C)CC[C@H]1CCCCN1C(=O)CC(C)(C)C#N 501309454 VVMZTWXSOHSKCD-CQSZACIVSA-N 264.413 3.744 30 20 CHED N#CCC[C@@H](C#N)CN1CCC(Cc2cccc(F)c2)CC1 76513485 NXZKTAIHEXBMCS-KRWDZBQOSA-N 299.393 3.524 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCC[C@H]1CC 79541625 XZZYJNPNYLALCG-KGLIPLIRSA-N 252.402 3.563 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(F)nc2)s1 186395355 VLXKRKANKKONLF-ZZXKWVIFSA-N 261.321 3.741 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H]1CCCc2nn(C)cc21 414296273 GLBMHEKJUBYFJE-FUHWJXTLSA-N 295.430 3.575 30 20 CHED C[C@@H](CCC#N)Sc1nnc(CCc2ccccc2)o1 412996987 HFVDWGZXWUXLHC-LBPRGKRZSA-N 287.388 3.639 30 20 CHED C=C(C)CCN(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 509363926 CMFZAZLAPNQSOF-PKOBYXMFSA-N 286.463 3.938 30 20 CHED CC(C)C[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 72945406 QHKVOKRFPNXJIL-GFCCVEGCSA-N 289.354 3.597 30 20 CHED C=CCn1c(S[C@@H](C)c2n[nH]c(C)n2)nc2ccccc21 412978162 MURNXOXWBOMNJC-JTQLQIEISA-N 299.403 3.502 30 20 CHED C=C(C)CN(CC)C(=O)c1nc(-c2ccccc2)cs1 78744244 FGSVJARVERTCCF-UHFFFAOYSA-N 286.400 3.848 30 20 CHED C=CCN(Cc1cnc2ccc(C)cc2c1)C1CC1 411443729 LXBAGIPXJGWZRG-UHFFFAOYSA-N 252.361 3.694 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 410128049 PUCCWXUQXAHXLK-KKUMJFAQSA-N 251.414 3.920 30 20 CHED C=CCC1(C(=O)Nc2cccc(NC(C)=O)c2C)CCC1 187897548 OBRZJEJAUPXCOQ-UHFFFAOYSA-N 286.375 3.638 30 20 CHED C=CC[C@H](CO)CN[C@H](CC(C)(C)C)c1ccccc1 344296717 AAJFZKSBZYKRDT-DOTOQJQBSA-N 275.436 3.938 30 20 CHED CC[C@@H](CNc1nc(C)ccc1C#N)Oc1cccc(C)c1 500263293 SAXYOHZPATVHNK-INIZCTEOSA-N 295.386 3.840 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@H]1NCC(C)(C)CC#N 414163462 ISNYBAIWJKTVLF-NHYWBVRUSA-N 260.356 3.588 30 20 CHED Cc1nc2ccc(N=C(O)[C@H]3CCCSC3)cc2o1 329772974 HVROFVPORYPFAQ-JTQLQIEISA-N 276.361 3.867 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)ccc1OC 191792394 CNYRBOLJBBRNDS-AWEZNQCLSA-N 267.756 3.889 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(F)c(Cl)c2)C1 612405929 FEUGHOMLGGZMNP-AWEZNQCLSA-N 266.747 3.605 30 20 CHED C[C@H](C#N)Sc1nc(-c2ccc(F)cc2)cs1 191713191 WTEVXPIYJXHTGH-MRVPVSSYSA-N 264.350 3.953 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C)c(Cl)c1F 410132725 XQBHYRNWJJVUTE-JTQLQIEISA-N 269.747 3.872 30 20 CHED CC1CCC(CC(O)=Nc2nc3cccnc3n2C)CC1 329531619 WOYZLVIHUOIGFZ-UHFFFAOYSA-N 286.379 3.773 30 20 CHED CC(C)(C)c1cnc(SCCCSCC#N)o1 130092826 ZRIYOTCONHSBGH-UHFFFAOYSA-N 270.423 3.711 30 20 CHED CN(CCCC(C)(C)C#N)Cc1nc(-c2ccccc2)c[nH]1 133522517 TWOJDXYHHGAAHI-UHFFFAOYSA-N 296.418 3.838 30 20 CHED CC(C)CC[C@@H](NC(=O)CC#N)c1ccc(Cl)cc1 131887144 WWTJLPZHRRDDFP-CQSZACIVSA-N 278.783 3.847 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1 43986416 GCPLANBDTCYKLU-ZDUSSCGKSA-N 264.328 3.551 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 42566806 WARQTDAKLCHBCN-VXGBXAGGSA-N 296.292 3.865 30 20 CHED CCC1(C(O)=Nc2ccc3c(c2F)CCN=C3O)CCC1 328908726 MHRJPAWEGZQRNU-UHFFFAOYSA-N 290.338 3.855 30 20 CHED C=CCN(CCc1cccnc1)CC1CCCCC1 514109159 KOKQPVOSUFYDHQ-UHFFFAOYSA-N 258.409 3.692 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H](C)[C@@H](C)C1)c1ccccc1 427556759 QKZHRBVSDGEJEF-ZOBUZTSGSA-N 271.404 3.851 30 20 CHED C#CCCCCC(=O)N(Cc1ccccc1F)C1CC1 179671418 GPDAKMAHPXVVDY-UHFFFAOYSA-N 273.351 3.510 30 20 CHED N#Cc1csc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 84057931 HOJQDJBUKPYMAX-UHFFFAOYSA-N 296.273 3.891 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)c(F)c1 191948742 ZUJBATJTNZGBMX-UHFFFAOYSA-N 298.361 3.728 30 20 CHED C=CC[C@H](C)NC(=O)NCCCc1cccc(Cl)c1 515248267 OPSUSUSTYJZOHD-LBPRGKRZSA-N 280.799 3.536 30 20 CHED C[C@H](C[C@H]1CCCCCN1)N[C@H](CCC#N)c1ccccc1 422999403 SMUUKLCHBJFTKD-BHIYHBOVSA-N 299.462 3.932 30 20 CHED COc1ccc2c(c1NCc1ccc(F)c(C#N)c1)CCC2 190450149 QFUQGKKFZUJKTO-UHFFFAOYSA-N 296.345 3.807 30 20 CHED CC1(C)C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 424325435 KTWYCUZGIKKVFL-WOSRLPQWSA-N 254.377 3.691 30 20 CHED COc1cc(C#N)cc(OCc2ccc(C#N)cc2Cl)c1 234979640 ZJTNFGUPZAFZKS-UHFFFAOYSA-N 298.729 3.671 30 20 CHED C[C@H](CC(=O)Nc1cccc(C#N)c1)c1ccccc1F 338875794 LDJMNHBUHQIJMX-GFCCVEGCSA-N 282.318 3.830 30 20 CHED CC[C@@H](N[C@@H](C)c1ccncc1F)c1ccc(C#N)cc1 338018969 NSQAJZMFUSNLJR-YVEFUNNKSA-N 283.350 3.894 30 20 CHED Cc1c(C#N)c(SCC2(C#N)CCC2)nc2c1CCC2 333730235 TWWUQLHFIWCVOY-UHFFFAOYSA-N 283.400 3.536 30 20 CHED C[C@@H]1CCN(C(=O)CC#N)[C@H]1c1ccc(C(F)(F)F)cc1 335709326 TYVWDOLSRHUUFI-QMTHXVAHSA-N 296.292 3.529 30 20 CHED C=CCC[C@H](NC[C@H](C)O)c1ccc(C(F)(F)F)cc1 337184936 OMDOAWBNHYORSB-FZMZJTMJSA-N 287.325 3.683 30 20 CHED CC[C@@H](C)CSc1nc2c(cc1C#N)CCCC2 233867250 VYECPTBGGXRRQH-LLVKDONJSA-N 260.406 3.970 30 20 CHED N#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCCC1 148819115 TWMIIFROCIBDMN-HRCADAONSA-N 288.435 3.888 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cnc(CC)s1 147743525 HZKFJQPITZHYSO-UHFFFAOYSA-N 286.400 3.534 30 20 CHED C=CCN(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 515510526 PULQCMSPUANRIT-UHFFFAOYSA-N 287.325 3.862 30 20 CHED COc1ccc(C)cc1N/C(O)=N/[C@@H]1CC[C@H](C)C1 331310561 YVEJVMGVWCHBAT-CMPLNLGQSA-N 262.353 3.518 30 20 CHED CN(Cc1ccc(C#N)cc1Cl)C1Cc2ccccc2C1 439441188 PRVVQHHZRCJUJY-UHFFFAOYSA-N 296.801 3.811 30 20 CHED COc1ccc(CNCCCCC#N)cc1OCC(C)C 237238345 HIAXJASRUSBLKF-UHFFFAOYSA-N 290.407 3.513 30 20 CHED CC(C)[C@@H](CCc1ccccc1)NCC1(CC#N)CC1 430743384 OHWNJQCATXHFJO-QGZVFWFLSA-N 270.420 3.927 30 20 CHED O=C1/C(=C\c2cccc(O)c2)CCc2ccccc21 96401284 FPPNGOCBEIBIFH-UVTDQMKNSA-N 250.297 3.605 30 20 CHED N#Cc1cccc(CN2CC[C@@H]2Cc2ccccc2)c1F 340895486 IUSHVFMNKPTAFE-QGZVFWFLSA-N 280.346 3.514 30 20 CHED C=CCCC[C@H](C)N1CCC(n2ccc(C)n2)CC1 434508893 FOEBWBKGOZSEFW-HNNXBMFYSA-N 261.413 3.573 30 20 CHED N#CCc1cccc(C(=O)Nc2ccc3ccoc3c2)c1 343971516 ZPQSRHFRZJSPFF-UHFFFAOYSA-N 276.295 3.751 30 20 CHED CC[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 340039704 OXDRSWMXPQAFGH-KRWDZBQOSA-N 278.355 3.634 30 20 CHED C=CCOc1ccc(C(=O)N(Cc2ccco2)C(C)C)cc1 343019897 GBWBRFMNNNKNHV-UHFFFAOYSA-N 299.370 3.895 30 20 CHED CC(C)COC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccco1 248749071 FQKUQAJCMFQCOF-OAGGEKHMSA-N 290.407 3.665 30 20 CHED Cc1csc(CSCc2cccc(C#N)c2F)n1 340854151 JIANQVFQMIGJMD-UHFFFAOYSA-N 278.377 3.896 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccccc2C#N)cc1 255543334 QURIBZLYMCLOKB-XFXZXTDPSA-N 276.339 3.520 30 20 CHED CC[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)C 521562368 XFTMZBWYRAGYHP-ZDUSSCGKSA-N 277.343 3.644 30 20 CHED Cc1ccc(CCCNc2ncccc2C#N)c(C)c1 604509347 QNCMGQFTYPLJMD-UHFFFAOYSA-N 265.360 3.615 30 20 CHED C=CCOCC(=O)Nc1ccccc1COC(C)(C)CC 348227390 PHLGNAVSPMPXJW-UHFFFAOYSA-N 291.391 3.533 30 20 CHED C=CCN1CC[C@H](S[C@H]2CCCc3ccccc32)C1=O 347693815 GKGKDKIKAPOZFK-HOTGVXAUSA-N 287.428 3.584 30 20 CHED CCC(C#N)(CC)c1nc([C@H]2CCCC[C@H]2C)no1 528130903 JNQNCYLUFZWYBG-NEPJUHHUSA-N 261.369 3.945 30 20 CHED Cc1ccc(CNC(=O)/C=C\c2ccccc2C#N)c(C)c1 255013566 XXSBXQUGPHTDKK-KTKRTIGZSA-N 290.366 3.505 30 20 CHED Cc1nc(CN(Cc2ccc(C#N)cc2)C2CC2)c(C)s1 344073467 PIDNNMIXBNGZPX-UHFFFAOYSA-N 297.427 3.796 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1cccc(-c2ccncc2)c1 341881491 RJYKTWXOEDZOHN-HZPDHXFCSA-N 296.414 3.584 30 20 CHED CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)c1cc(C)ccc1C 602377826 WJWITEFJNSPYCF-BBRMVZONSA-N 287.407 3.556 30 20 CHED N#Cc1cccc(CNc2ccc3scnc3c2)c1F 342431091 RBFONHKHIRGKGG-UHFFFAOYSA-N 283.331 3.919 30 20 CHED CC(C)Oc1cc(F)ccc1N[C@@H]1CC[C@@H](C#N)C1 442829786 QILDGRADHQIVBH-DGCLKSJQSA-N 262.328 3.717 30 20 CHED CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F 442773044 BUUVBCVGDILGJA-RBOXIYTFSA-N 278.346 3.944 30 20 CHED COc1cccc(/C=N\C[C@H](C)Oc2cccc(C)c2)c1O 255622222 FKRXFKGNCOCGNL-YQNUULROSA-N 299.370 3.596 30 20 CHED Cc1ccc(Nc2nc(CN[C@@H](C)CC#N)cs2)cc1 602864213 QLCXJSNLSOSPCZ-LBPRGKRZSA-N 286.404 3.587 30 20 CHED COc1ccc(-c2ccc(CNC(C)C)cc2)cc1C#N 600787808 DYFNEWMJECIOQL-UHFFFAOYSA-N 280.371 3.732 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1ccccc1OC(F)F 602507713 QUUYAKZABZTMJK-VXGBXAGGSA-N 282.334 3.878 30 20 CHED N#CCC1(CN2CCC[C@H]2c2ccc(F)cc2)CC1 602758345 GFHICANULNXEBB-HNNXBMFYSA-N 258.340 3.656 30 20 CHED Cc1ccc([C@@H](C)NCCCOc2cccc(C#N)c2)cc1 538128722 QLPBMKXTRLNGNP-MRXNPFEDSA-N 294.398 3.986 30 20 CHED CCCOc1ccc(CNc2cccnc2C#N)c(C)c1 357669171 WSINITOSPHYMFV-UHFFFAOYSA-N 281.359 3.663 30 20 CHED CCC1(CC)CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 354845579 SGYVDRZGNKUTNC-UHFFFAOYSA-N 288.366 3.740 30 20 CHED C=C(C)CCc1noc(-c2sc(COCC)nc2C)n1 351123737 NNKMJZRAUMPYDF-UHFFFAOYSA-N 293.392 3.547 30 20 CHED CC1(C#N)CCC(N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 449099933 PHFSRLXBZUYCQF-YBXZHIRMSA-N 298.430 3.969 30 20 CHED Cc1cc(NC(=O)NCC2(CC#N)CC2)c(Cl)cc1F 352180782 SWHVCOXJEQPWCX-UHFFFAOYSA-N 295.745 3.603 30 20 CHED CN(Cc1c(Cl)cccc1Cl)C[C@H](C#N)CCC#N 352787686 GWPCIAPVTXHDKM-NSHDSACASA-N 296.201 3.869 30 20 CHED C=CCC[C@H](CC)NC[C@H]1CCOC2(CCC2)C1 449474172 CVPNDVLLUYRXAB-GJZGRUSLSA-N 251.414 3.670 30 20 CHED Cc1cc(CN[C@H]2COc3c(Cl)cccc32)ccc1C#N 618194600 BWKXSWRCXCJSRR-INIZCTEOSA-N 298.773 3.743 30 20 CHED C=CCN(CC=C)Cc1cc(O)cc(C(F)(F)F)c1 356087330 NPVVFJTXQROGPV-UHFFFAOYSA-N 271.282 3.585 30 20 CHED C[C@@]1(C#N)CCCN([C@@H]2CCCc3ccc(F)cc32)C1 612167082 UMVHNGVQBHKQEA-SJORKVTESA-N 272.367 3.829 30 20 CHED CCc1ccc(CN[C@H](CCC#N)c2ccccc2)cn1 352760554 QFJYABDBSYOTJE-GOSISDBHSA-N 279.387 3.779 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC=CCC1 611394821 HOQHRNKBDUMIBV-RDJZCZTQSA-N 252.361 3.634 30 20 CHED CC(C)C[C@@H](NC(=O)NCC(C)(C)C#N)c1ccccc1 611622807 HYEVSLNDSSNIQH-OAHLLOKOSA-N 287.407 3.623 30 20 CHED CSCCCCC(=O)Nc1sc(C)c(C)c1C#N 351294275 ZGFPMQRYAFFSJS-UHFFFAOYSA-N 282.434 3.708 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C1CCCCC1 530654127 WUNLHDRWSUCPLE-WMZOPIPTSA-N 298.430 3.844 30 20 CHED C[C@@H]1CC[C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1 353990547 MWNQSAZHYSVLAF-VYDXJSESSA-N 299.418 3.767 30 20 CHED C=CCC[C@H](CC)NCc1ccc2c(n1)CCCC2 446897806 FKLWUMKLLUPXAM-HNNXBMFYSA-N 258.409 3.795 30 20 CHED C=C[C@](C)(CC)C(=O)NCC1(OCCC)CCCCC1 442948027 VJYVUAWKRSEENH-MRXNPFEDSA-N 281.440 3.834 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCCC[C@H]1CC 351075707 QHFMJHFQAJRKKS-CQSZACIVSA-N 274.412 3.501 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@H]1CCCC)C1CC1 536797358 NKFNALXEMVVYAG-UKRRQHHQSA-N 264.413 3.705 30 20 CHED C=C[C@H](CC(=O)N[C@H](CC)C(F)F)c1ccccc1 452251869 UPOWYFRCWKFZGC-DGCLKSJQSA-N 267.319 3.506 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1ccc(OC(C)C)cc1 538544154 FXSDAANDEPGYIR-OAHLLOKOSA-N 290.407 3.628 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(CC)c1O 539846240 RVZASAXNJSDJFV-UHFFFAOYSA-N 295.382 3.783 30 20 CHED C[C@H](CCCc1cccnc1)NCCCC(C)(C)C#N 459637786 IMJQKGKEMPHOCG-OAHLLOKOSA-N 273.424 3.712 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)C(C)(F)F 455248549 WIEPYRIMWHDVPF-ZDUSSCGKSA-N 296.361 3.818 30 20 CHED Cc1ccc(N[C@H]2CCc3cc(C#N)ccc32)c([N+](=O)[O-])c1 618693975 VVKIJISJOROKKJ-HNNXBMFYSA-N 293.326 3.874 30 20 CHED C[C@H](Nc1cc(C#N)ncn1)c1cccc(C(F)(F)F)c1 615276486 FJCYLQHMZZATJI-VIFPVBQESA-N 292.264 3.540 30 20 CHED COc1cccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 618802226 DAGSMUXVLKNOEL-YJYMSZOUSA-N 292.382 3.905 30 20 CHED Cc1cc(C)c(N[C@@H](C)c2ccc(C#N)cc2)cc1CO 615704902 AEDULLBCOCLJON-AWEZNQCLSA-N 280.371 3.841 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCCC2(CCOCC2)C1 275752490 WWLBAIGYPYOJAH-OAHLLOKOSA-N 284.403 3.512 30 20 CHED CN(Cc1ccsc1)C(=O)c1ccc(Cl)c(C#N)c1 611408660 NBUPEZOJIINULJ-UHFFFAOYSA-N 290.775 3.545 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC=CCC1 455064630 UDTLQZDRDBPRFX-KRWDZBQOSA-N 296.414 3.599 30 20 CHED CC[C@@H](NCc1ccc(C#N)c(Cl)c1)C1CCOCC1 619754998 QFUYVMLILDAWJR-MRXNPFEDSA-N 292.810 3.506 30 20 CHED C=CCn1c(SCC=C(C)C)nc2sccc2c1=O 549458191 VMHMEKATYZWHNV-UHFFFAOYSA-N 292.429 3.702 30 20 CHED Cc1cscc1CN=c1c(C#N)c[nH]c2c(C)cccc12 618686415 WVKAHMIPLFYVMZ-UHFFFAOYSA-N 293.395 3.819 30 20 CHED C=CCCCCNC(=O)c1cnn(C(CC)CC)c1C 274669240 HSGXXZHCSCFGNQ-UHFFFAOYSA-N 277.412 3.639 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(Cl)cc1F 454191272 KNXBACOCJCEUFT-UHFFFAOYSA-N 270.735 3.813 30 20 CHED C#CCC(C)(C)C(=O)N1CCC(c2cccc(F)c2)CC1 364057826 RDOOXBMZLVJXOQ-UHFFFAOYSA-N 287.378 3.581 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(C2(c3cccc(C)c3)CC2)no1 453174889 BABKIDYROBMCJI-CABCVRRESA-N 296.370 3.516 30 20 CHED C=CCC1(c2nc(-c3cccnc3OCC)no2)CCCC1 453085185 KSCRRGSJEQIGJD-UHFFFAOYSA-N 299.374 3.918 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 454442136 KOKPYNWLWLPOHC-UHFFFAOYSA-N 271.364 3.575 30 20 CHED Cc1csc([C@H](C)CNc2cccc(F)c2C#N)n1 273286468 JPVWBZASAXMYHK-SECBINFHSA-N 275.352 3.678 30 20 CHED CCC1CCN(c2ncc(Cl)c(C)c2C#N)CC1 543206307 VDVSYIAEGWYFDQ-UHFFFAOYSA-N 263.772 3.542 30 20 CHED CC1(CC(=O)NCc2ccc(C#N)c(F)c2)CCCCC1 456838504 NXIBAXAZTUHADG-UHFFFAOYSA-N 288.366 3.674 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)s1)c1ccc(C)cc1 362981865 ZLXOIKBPDMDOQJ-AWEZNQCLSA-N 284.384 3.809 30 20 CHED CC#CCCCC(=O)N(C)Cc1ccc(Cl)s1 274294685 PWIBHLNLOOZKSI-UHFFFAOYSA-N 269.797 3.554 30 20 CHED C=C[C@@H](CC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 458268831 ZDAVITROAXFVPL-PQEBFOHHSA-N 269.388 3.651 30 20 CHED C=CCCC(=O)N1[C@@H](C)C[C@H](CC(F)(F)F)[C@H]1C 452239222 WOGDZOCSLSHZJM-HBNTYKKESA-N 263.303 3.531 30 20 CHED Cc1nc(-c2cccc(NC(=O)CC(C)(C)C#N)c2)cs1 278484574 KNGJPWUZGBAETG-UHFFFAOYSA-N 299.399 3.997 30 20 CHED C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)c(F)c1 272706370 ZTQUIJMFWBOVQB-XHDPSFHLSA-N 290.382 3.694 30 20 CHED C=CCC[C@H](C)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273495027 XMRKKEZXDTYQLM-JQFCIGGWSA-N 277.383 3.990 30 20 CHED Cc1ccnc(N[C@H](C)[C@H](C)c2ccccc2)c1C#N 541349724 QBEDUKYXUFSSSP-UONOGXRCSA-N 265.360 3.866 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@H]2CCCCS2)c1 542143973 OKCQMHSKTMSELM-HNNXBMFYSA-N 291.416 3.866 30 20 CHED C=CCCC(C)(C)NC(=O)CCCc1cccs1 620864176 UBCAYLXBKBWMAK-UHFFFAOYSA-N 265.422 3.932 30 20 CHED C=C[C@@H](C)NC(=O)CCOc1ccccc1-c1ccccc1 465106324 DWTATVVTKXNVHC-OAHLLOKOSA-N 295.382 3.813 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C1[C@@H]2CCC[C@@H]12 279888274 HMPQTFNVZVUWLN-HZPDHXFCSA-N 269.388 3.637 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccccc1Oc1ccccc1 468756754 AITHDNUBLVMFOD-SFHVURJKSA-N 297.354 3.745 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1c(C)[nH]c2ccccc12 620863324 OVWGHVJDDBLBPH-UHFFFAOYSA-N 284.403 3.880 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C 466673160 RALSVYCWFSYZEL-WMLDXEAASA-N 296.455 3.578 30 20 CHED N#Cc1c(Cl)nsc1NC[C@@H]1CCCC(F)(F)C1 281787950 FHKSWFQYPPHSKW-SSDOTTSWSA-N 291.754 3.906 30 20 CHED Cc1csc(NC(=O)[C@H]2CCCc3ccccc32)c1C#N 288864469 QEXRJHHFKZNJAM-AWEZNQCLSA-N 296.395 3.987 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] 463658429 QOSQPFCOARHGCE-OUCADQQQSA-N 285.347 3.847 30 20 CHED COc1ccc(C)cc1[C@H](C)NCCc1cccc(C#N)c1 467455060 QZBHEVFLMFLAIC-HNNXBMFYSA-N 294.398 3.769 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)CCCOc1ccccc1C 467837165 YDZSYQNEFGORRF-SFHVURJKSA-N 289.419 3.825 30 20 CHED CCN(CC(C)(C)C)C(=O)C[C@H](CC#N)c1ccccc1 463018504 CSMXQJFRMFFMRS-INIZCTEOSA-N 286.419 3.969 30 20 CHED CCn1cc(C(=O)/C=C/c2ncc(C(C)(C)C)s2)cn1 280758100 XUPYFWSMTZWBLP-VOTSOKGWSA-N 289.404 3.553 30 20 CHED Cc1oc(C#N)cc1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 280545060 IKUKBJPLMSUBCM-PXAZEXFGSA-N 286.375 3.501 30 20 CHED N#Cc1cccc(C2(NCc3cc(F)cc(F)c3)CC2)c1 555615345 RSIOYQQLPCUIIM-UHFFFAOYSA-N 284.309 3.615 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](CC)c1ccc(F)cn1)OCC 285778332 JYCGJFUJAIWYCA-CABCVRRESA-N 295.354 3.586 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)C1CCCC1 467979624 BMNVJPKLUPMJAQ-INIZCTEOSA-N 251.414 3.921 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC(C)(C)CC(C)(C)C1 466378648 PRAUJAUIXCTRQT-CYBMUJFWSA-N 266.429 3.809 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2oc(CC)nc2c1 466378888 ULXKKNHEOUTOAN-LLVKDONJSA-N 287.363 3.866 30 20 CHED CC(C)CN(C(=O)c1ccc(C#N)c(O)c1)c1ccccc1 557780350 BXFRLENJHWVERH-UHFFFAOYSA-N 294.354 3.567 30 20 CHED C=CC1CCN(c2ccc3ccc(F)cc3n2)CC1 462848075 LSUNVFOPZZYFIS-UHFFFAOYSA-N 256.324 3.776 30 20 CHED C=CCn1cccc1C(=O)NCC1CC(c2ccccc2)C1 558925623 MVKBPPYPTXGIFX-UHFFFAOYSA-N 294.398 3.598 30 20 CHED C=CCCCC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 468342208 YLPSXYKJEQBWJF-LLVKDONJSA-N 279.330 3.767 30 20 CHED C=C(C)CCc1noc(-c2ccc(-c3nnc(C)o3)cc2)n1 285197056 SHLGWLDGKVIYOI-UHFFFAOYSA-N 296.330 3.604 30 20 CHED C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccc(C#N)cc1 284212023 SSJGNSTWOZIJTO-BFUOFWGJSA-N 292.382 3.992 30 20 CHED C=C(C)COCCN[C@H]1CCC[C@@H](c2ncccc2C)C1 467378529 VQGOWYLVSSQCLS-SJORKVTESA-N 288.435 3.599 30 20 CHED N#CC1(CCCNc2cc(Cl)ccc2F)CCOCC1 280976730 IBQIHQLDIJQVKD-UHFFFAOYSA-N 296.773 3.992 30 20 CHED C=CCC[C@H](O)CN(CC)[C@H](CC)Cc1ccccc1 472954579 QTCVRWAIDZYRPA-MSOLQXFVSA-N 275.436 3.657 30 20 CHED CC(C)Sc1ccccc1NC(=O)CCCC#N 291284745 GNEGNIGXEQFRHZ-UHFFFAOYSA-N 262.378 3.819 30 20 CHED CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 552410407 XWFXQSKIOHFPLX-LIRRHRJNSA-N 298.430 3.898 30 20 CHED C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1CCC[C@H]1C 802713932 YOOIYKYNOPNBJK-OLZOCXBDSA-N 288.391 3.502 30 20 CHED Cc1cnccc1C(=O)Nc1sc(C(C)(C)C)cc1C#N 297786825 NQWSLULRVYTXJG-UHFFFAOYSA-N 299.399 3.873 30 20 CHED C=CCCCCNC(=O)N(C)[C@H]1CCC[C@H](C)C1 474083704 XLXJODGUXIOSDT-KBPBESRZSA-N 252.402 3.563 30 20 CHED C=C(C)CS[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 477010488 JJOGVXFPFSVFLK-STQMWFEESA-N 275.417 3.662 30 20 CHED CCC(CC)N(CC(C)C)C(=O)Nc1cccc(C#N)n1 568627650 BCVCZGOPAZXPSB-UHFFFAOYSA-N 288.395 3.632 30 20 CHED C=CC1CCN(C(=O)Nc2snc3ccccc23)CC1 640245919 HHHUKJHELQCZCT-UHFFFAOYSA-N 287.388 3.726 30 20 CHED C=CCc1ccccc1OCc1cnnn1-c1ccccc1 808245633 RCCYCSTXPKPQLF-UHFFFAOYSA-N 291.354 3.575 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C#N)ccc1C 476814693 LBEZOGRTNLAOAW-LSDHHAIUSA-N 285.391 3.957 30 20 CHED C=CCC[C@@H](O)CN(C)[C@@H](C)c1ccc(C)cc1C 472761361 DWDAMJVKVQPDEU-JKSUJKDBSA-N 261.409 3.623 30 20 CHED c1cnc(C2CCC2)c(NN=C2CCCCCC2)n1 807992404 DJCXJJHDTDWLMZ-UHFFFAOYSA-N 258.369 3.866 30 20 CHED CCOc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1C 294638367 QIRGEVHUIXMHBD-GOSISDBHSA-N 298.386 3.806 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(F)cc1OCC1CC1 297627378 ISAUNYYGZYUOQF-UHFFFAOYSA-N 277.339 3.765 30 20 CHED CC(C)(C#N)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 562749329 XTWBIPVSIHNRPV-MUJYYYPQSA-N 254.377 3.699 30 20 CHED C=CC(C)(C)CNC[C@@H](O)c1ccccc1C(F)(F)F 819346285 XGPYACBAEDQEGL-CYBMUJFWSA-N 287.325 3.541 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1ccc(C)cc1Cl 488877560 HMAYRVBHJUTBQJ-AWEZNQCLSA-N 277.795 3.758 30 20 CHED C=CCn1cccc1C(=O)Nc1nc(C(C)C)cs1 488573605 AJSKNIGYDGCYCB-UHFFFAOYSA-N 275.377 3.506 30 20 CHED C=CCCOCCCCC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 647499592 WYKUJIHEXRLHDY-HZPDHXFCSA-N 293.451 3.787 30 20 CHED Cc1ccc(C#N)c(Oc2cccc(C=O)c2Cl)n1 814903396 HONDHQKMXVVWJW-UHFFFAOYSA-N 272.691 3.520 30 20 CHED C#C[C@H](NC(=O)[C@H](C)[C@H](C)CC)c1ccc(Cl)cc1 811946956 PAMTWBUOLSUOBA-JMSVASOKSA-N 277.795 3.813 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@H]1C=CCCC1 488685903 GXELQOLUYWMVQA-SFHVURJKSA-N 283.415 3.990 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2cccc([N+](=O)[O-])c2)CS1 814694400 IQIAKGQXDQVHOJ-CYBMUJFWSA-N 293.392 3.914 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@H]1CCCc1ccccc1 487300555 GFGILQTXDZMCSG-NVXWUHKLSA-N 286.419 3.758 30 20 CHED CC(CCc1ccco1)=NN[C@@H](C)COc1ccccc1 811667911 GPJRXMWVXHKGIA-HNNXBMFYSA-N 286.375 3.645 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C(C)C)nn1C 811591068 ZGUADSFTGWAAIQ-UHFFFAOYSA-N 291.439 3.800 30 20 CHED C[C@@H](NN=C1CCC[C@H]1CCCF)c1ccncc1 819817660 DALSOFVJJHCDIL-OCCSQVGLSA-N 263.360 3.638 30 20 CHED C=CCC[C@H](C(=O)NOC/C=C/Cl)c1ccccc1 812399834 VWTFPOWQUWINKK-OIOXUXFSSA-N 279.767 3.537 30 20 CHED Cc1ccc2ncc(C#N)c(N(C)CC3CCC3)c2c1 488128658 SORSRCSPIYDGGV-UHFFFAOYSA-N 265.360 3.651 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccc(C2CCC2)cc1 489796872 YKUBIYINNGSSQY-GFCCVEGCSA-N 271.364 3.577 30 20 CHED C#C[C@@H](C)NCc1cnn(C2CCCC2)c1-c1ccccc1 817409311 IHHDOFCPWRFBGB-OAHLLOKOSA-N 293.414 3.777 30 20 CHED CN(c1ccc(Cl)c(C#N)n1)[C@H]1CCC(C)(C)C1 480776959 SOVWKVPRKYGXBQ-JTQLQIEISA-N 263.772 3.622 30 20 CHED C[C@H]1C(=NNc2cccc3ncccc23)CC[C@@H]1CC(=O)O 814804548 UMEWMGMAPGYNTL-VXGBXAGGSA-N 297.358 3.524 30 20 CHED C#C[C@H](CC)NC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 812393557 PDXZCANVCPRFMO-QWHCGFSZSA-N 298.361 3.751 30 20 CHED COc1cc(/C=C2\Cc3c(C)cccc3C2=O)ccc1O 729151011 NTNAROWFHGYXSR-MDWZMJQESA-N 280.323 3.532 30 20 CHED C=CC[C@@H](C(=O)Nc1cnn(C(C)C)c1)c1ccccc1 577128381 JVYMQJFKHVMDDZ-MRXNPFEDSA-N 283.375 3.762 30 20 CHED COCC(Cc1ccccc1)=NNc1cc(C)ccc1F 814872374 MSFDZASQJPNCKK-UHFFFAOYSA-N 286.350 3.791 30 20 CHED C=CCCOCC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 654695366 GZOAYUYTEVBDHW-SFHVURJKSA-N 299.414 3.723 30 20 CHED N#CC[C@@H]1CC[C@H](NC(=O)C2=C(c3ccccc3)CCC2)C1 577982202 CSGBAUPBVGVZSH-HOCLYGCPSA-N 294.398 3.823 30 20 CHED CC(=NNc1ccc(C)nn1)c1ccc(C(F)(F)F)cc1 729938282 SOJQPGIGCNJIFC-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C=C(CC)CNCc1sc2nc(C)nc(C)c2c1C 825221340 IZXZLXRQHAUTJA-UHFFFAOYSA-N 275.421 3.672 30 20 CHED CCCCCCCC(=O)NCCc1ccc(OC)c(F)c1 728255981 XGBGSQJUGYPZMR-UHFFFAOYSA-N 295.398 3.854 30 20 CHED CC(Cc1cccs1)=NNC(=S)Nc1ccccc1 729633752 SEFWWZGJKXWBFD-UHFFFAOYSA-N 289.429 3.653 30 20 CHED C=CCCNC(=O)Nc1ccccc1OC(C)(C)C 666082704 AFQDWSVHUCVEGY-UHFFFAOYSA-N 262.353 3.562 30 20 CHED C=CCCCCN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 827684691 FNKVGPWWJIQZMT-HNNXBMFYSA-N 296.455 3.532 30 20 CHED C=CCN(CCc1ccco1)C(=O)CC(C)(C)C1CC1 498437750 AKLRNDOPKOZMKB-UHFFFAOYSA-N 275.392 3.663 30 20 CHED CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc[nH]1 727261564 DHOKPRUXQIWJCD-UHFFFAOYSA-N 297.280 3.792 30 20 CHED CSc1cccc(F)c1CNC(=O)CCCCCC#N 588166768 RKRQUNSGVAPADO-UHFFFAOYSA-N 294.395 3.638 30 20 CHED C(=NNCCCc1ccccc1)c1ccc2ncccc2c1 729146121 MBHPSKRUPBVOQN-UHFFFAOYSA-N 289.382 3.791 30 20 CHED CC1(C)CC[C@@H](OC(=O)c2c(F)cc(C#N)cc2F)C1 820433951 FDVPNUSURBJXPY-SNVBAGLBSA-N 279.286 3.572 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@]1(C)CC1(Cl)Cl 827866036 DADOZVXXTDYGLY-ZYHUDNBSSA-N 278.223 3.821 30 20 CHED C#CC[C@H](NCc1cc(C)ccc1NC)c1ccccc1 902415303 DBUVABLHIOMDCD-IBGZPJMESA-N 278.399 3.891 30 20 CHED C=C(C)C[C@H](NC/C=C/c1c(C)cc(C)cc1C)C(=O)O 901682944 YHAASMXMDVSWBY-LXXRFIIISA-N 287.403 3.634 30 20 CHED COc1ccc(Cl)cc1CSc1ccc(C#N)cn1 495275862 DJSYSNVMWNIYSB-UHFFFAOYSA-N 290.775 3.908 30 20 CHED C=CCCCN1CCC2(CC1)OCCc1ccsc12 492510736 AASFZYLJVFWZQJ-UHFFFAOYSA-N 277.433 3.578 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)O[C@H](CC(C)C)c1ccccn1 835223787 NCHFGJWTLMDREO-MRXNPFEDSA-N 297.358 3.534 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 731322230 REHUQTNXHKYSRG-YVMONPNESA-N 285.274 3.938 30 20 CHED CC(CCCc1cccnc1)=NNCCC(C)(C)C 834974024 SQZIMWSQHAIXOO-UHFFFAOYSA-N 261.413 3.806 30 20 CHED CSCc1cccc(NC(=O)CCCCCC#N)c1 588157384 LLCCAQBPCKCEOS-UHFFFAOYSA-N 276.405 3.962 30 20 CHED C=CCC(CC=C)C(=O)N=[S@@](C)(=O)c1cccc(F)c1 906344088 FKYHVEFUUZKPCJ-FQEVSTJZSA-N 295.379 3.577 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2ccsc2)C1 661134056 YDFIJAUJXWKFOL-OLZOCXBDSA-N 278.421 3.807 30 20 CHED CC(=NNc1cc(C)ncn1)c1ccc(CC(C)C)cc1 731935455 AAPCQXRWZQBULH-UHFFFAOYSA-N 282.391 3.820 30 20 CHED CC(C)(C/N=C\c1cccc(O)c1O)c1cccs1 733904229 XMSKOLBWRCBSRN-SXGWCWSVSA-N 275.373 3.556 30 20 CHED CCCCc1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1 585720946 LDOMPFKCSKBIFK-QGZVFWFLSA-N 272.392 3.697 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 581702189 FHEJMKNVXFHLPP-NSHDSACASA-N 290.794 3.910 30 20 CHED O=C1/C(=C\c2csnn2)CSc2c(Cl)cccc21 731938352 FEYJCVFFCQNZIG-DAXSKMNVSA-N 294.788 3.564 30 20 CHED N#CCC1(OC(=O)c2cccc3c2CCCC3)CCC1 835398941 BQTQJKGCKNQLGC-UHFFFAOYSA-N 269.344 3.559 30 20 CHED C#C[C@H](NC(=O)[C@@H](C)C1CCC1)c1ccc(Cl)cc1 837663680 XSZTZWSHIBGOPI-NHYWBVRUSA-N 275.779 3.567 30 20 CHED CC[C@@H](NCc1cccc(COC)c1)c1cccc(C#N)c1 902749536 SYZUHFIONGNRMS-LJQANCHMSA-N 294.398 3.946 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)OC[C@@H](C#N)Cc1cccs1 835260844 LSYLSXWKFJFTRV-UMVBOHGHSA-N 291.416 3.656 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 588258475 KUJWOMLVTRSIAG-HRCADAONSA-N 276.424 3.936 30 20 CHED CN(C)c1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1 731565525 RTJVPFVDDAANEI-UKTHLTGXSA-N 297.329 3.550 30 20 CHED Cc1cc(NN=C[C@@H](C)c2cc(F)cc(F)c2)nc(C)n1 834940269 IUQZAZGIYIXZLG-SECBINFHSA-N 290.317 3.573 30 20 CHED Oc1ccccc1/C=N/Cc1ccccc1OCC1CC1 739425988 HQQXJVSJYWNYGE-YBFXNURJSA-N 281.355 3.800 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CC[C@](C)(c2ccccc2)C1 835015838 GLDUUQZOKAHSQI-WMZOPIPTSA-N 286.419 3.641 30 20 CHED C=CCC[C@H](C(=O)Nc1nccn1C1CC1)c1ccccc1 839941206 XPFYNERMUWVFSP-INIZCTEOSA-N 295.386 3.907 30 20 CHED C#CCCCNC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 836330751 XPIWKQVYEXIVEU-QGZVFWFLSA-N 296.414 3.727 30 20 CHED CC(C)c1cccc(N(C)Cc2ccc(C#N)cn2)c1 581227756 GJHBOPVAJBEOQN-UHFFFAOYSA-N 265.360 3.713 30 20 CHED C=CC(C)(C)C(=O)O[C@@H](C)c1noc(-c2ccccc2)n1 835338480 UQAUOBQOGXPBNC-NSHDSACASA-N 286.331 3.553 30 20 CHED CCC#C[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 677480513 YOMGFXOELRGQKS-HUUCEWRRSA-N 282.387 3.809 30 20 CHED Cc1coc(-c2ccc(C)c(NC(=O)C#CC(C)(C)C)c2)n1 837467549 GMCNXOSLDUWDFC-UHFFFAOYSA-N 296.370 3.946 30 20 CHED CCC#C[C@@H](C)N[C@H](C)c1ccc(SCCOC)cc1 678765268 IQQOTZGYGDNJQR-HUUCEWRRSA-N 291.460 3.878 30 20 CHED COc1cccc(/C=C\C(=O)c2cc(F)ccc2F)c1 916133523 VXYLTWRQCLZQCP-YVMONPNESA-N 274.266 3.870 30 20 CHED C=C1CCN(C(=O)/C=C(/CC)c2ccc(C)cc2)CC1 741686907 OHCUSJBGCJSNAQ-SSZFMOIBSA-N 269.388 3.967 30 20 CHED CC[C@@H](C#N)C(=O)N1Cc2ccccc2-c2ccccc2C1 593447133 SLJIBIFKMWLUCB-AWEZNQCLSA-N 290.366 3.746 30 20 CHED Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)OCCCC#N 741748036 LOUXQKBGZORVPR-AWEZNQCLSA-N 288.391 3.912 30 20 CHED C=C(C)CCOC(=O)c1cnn(-c2ccc(C)cc2)c1C 744303491 DLFFVOVBMCQHKW-UHFFFAOYSA-N 284.359 3.612 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC12CCCC2)c1nc2ccccc2o1 747477523 BDODTRACXJXYNB-NEPJUHHUSA-N 280.327 3.584 30 20 CHED C=C[C@H](C)ON=Cc1ccc(CSC(F)F)o1 844622694 ADVWUHYBGQENIT-QMMMGPOBSA-N 261.293 3.660 30 20 CHED FC(F)Oc1cccc(CON=Cc2cccs2)c1 747809923 AUXGUJBTPFLJKC-UHFFFAOYSA-N 283.299 3.900 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 595538007 FZDVDZGENSJARE-LSDHHAIUSA-N 297.402 3.617 30 20 CHED CC(CCN(C)C)=NNc1ccc(Cl)c(Cl)c1 915933926 MNGDCLDOFRHDBQ-UHFFFAOYSA-N 274.195 3.733 30 20 CHED C/C=C/C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915179823 JAPNMJWTWCDWSM-DCVFFXCOSA-N 276.339 3.857 30 20 CHED CCO[C@H]1CC(=NNc2nc3ccccc3[nH]2)C12CCCC2 743422299 YMGDCNZCEDDBAO-HNNXBMFYSA-N 298.390 3.700 30 20 CHED Cc1c(Cl)c(C(F)(F)F)nn1Cc1ccccc1C#N 590584548 ORKJJJJISSQRTF-UHFFFAOYSA-N 299.683 3.784 30 20 CHED CCCCC/C(C=NN[C@H](C)CO)=C/c1ccccc1 749821523 POAAMCVYHKDGCY-ZQXWUMGCSA-N 274.408 3.607 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC3(CCc4ccccc4C3)CC2)C1 593038023 VMOFLSRAUPTDHE-QFBILLFUSA-N 294.442 3.950 30 20 CHED C#C[C@@H](OC(=O)C1CCC(F)(F)CC1)c1ccc(F)cc1 842406714 GHLHXRQLWDKJKZ-CQSZACIVSA-N 296.288 3.869 30 20 CHED C=CCN(C(=S)Nc1cccc(OCC)c1)C(C)C 742986381 KOHKIGVZWSPGGH-UHFFFAOYSA-N 278.421 3.679 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N(C)[C@@H](C#N)CC)cc1 847170471 ZGMPMOTWHKGMET-IUODEOHRSA-N 258.365 3.574 30 20 CHED C[C@@H](c1ccccc1)N1CCN(c2ccsc2C#N)CC1 595631584 FGNJAPWHTNNSJG-AWEZNQCLSA-N 297.427 3.503 30 20 CHED CC(C)C[C@@H](C)CC(=O)Oc1cccc(OCC#N)c1 841346285 XTQLCEIATRPQOH-CYBMUJFWSA-N 275.348 3.567 30 20 CHED CN(C(=O)NCCCCC#N)C1CC(C)(C)CC(C)(C)C1 596266611 VERLTQQMNKNYHG-UHFFFAOYSA-N 293.455 3.927 30 20 CHED C=C[C@H](C)ONC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 846542745 HTOPJJWPYIHWPI-STQMWFEESA-N 299.370 3.574 30 20 CHED C=C(C)CON=C(C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 844619050 SMNLNJMPAWCPSN-LBPRGKRZSA-N 276.336 3.742 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(CSCC)c1 743188738 BOCAQXSXMJFLPP-UHFFFAOYSA-N 284.812 3.814 30 20 CHED Oc1cccc(/C=N/C[C@H]2SCCc3ccccc32)c1O 749845911 UXDYXUWKCNMBKX-VHWUNXFSSA-N 299.395 3.547 30 20 CHED CCO[C@@H]1CC(=NNc2cc(F)c(F)cc2F)C12CCC2 741164720 XGUQOTCNQKFGME-CQSZACIVSA-N 298.308 3.851 30 20 CHED CSCC1(CCNc2ccc(F)cc2C#N)CC1 596432007 YQECKICYGDOZDL-UHFFFAOYSA-N 264.369 3.643 30 20 CHED CC1(C)CCC[C@H](C=NNc2ccc(CC(=O)O)cc2)C1 848415560 ONPTYOHROQEIQC-AWEZNQCLSA-N 288.391 3.928 30 20 CHED C=C(C)CONC(=O)Nc1ccccc1OC1CCCC1 844514893 YDWBBSHFWGWXIL-UHFFFAOYSA-N 290.363 3.637 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2ccc(C)cc21 683831669 BQQRVARDDWWLRH-WBVHZDCISA-N 284.403 3.732 30 20 CHED N#CCc1ccc(-c2ccc3c(c2)CCCO3)s1 596635088 DITKOWFMLLDMAX-UHFFFAOYSA-N 255.342 3.806 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCc2cc(C#N)ccc21 926603098 SZOSSZLITNRIEC-SUMWQHHRSA-N 281.403 3.854 30 20 CHED CCN(CC#Cc1cccc(Cl)c1)CCc1ccccn1 747668181 ALYMOFZFNWILTA-UHFFFAOYSA-N 298.817 3.651 30 20 CHED C=CCCCCNC(=N)Nc1ccc(OC)c(Cl)c1 849019745 ICLQZFORAZXUMG-UHFFFAOYSA-N 281.787 3.641 30 20 CHED CCC[C@@H](C)C(CC)=NNc1ncc(Br)cn1 848421331 SZJQTKCBBFKKFQ-SECBINFHSA-N 299.216 3.853 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c1 757468275 PYHLVQNYXZOZIM-CLFYSBASSA-N 283.283 3.505 30 20 CHED C#Cc1cccc(N[C@@H]2CCc3c(cccc3OC)C2)c1 756096187 CLHIKDFHNQFPIL-QGZVFWFLSA-N 277.367 3.646 30 20 CHED Cc1cccn2c(C=NNc3ccccc3Cl)cnc12 755473242 SJYPZOBPVKBGIF-UHFFFAOYSA-N 284.750 3.742 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(C)ccc2OC)c(O)c1 757472111 LFKBQBGKJACJTN-VMPITWQZSA-N 298.338 3.614 30 20 CHED C#CC[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 757580182 QZXOKKMFBNPUDE-OWLYRPNTSA-N 281.399 3.694 30 20 CHED C#CC[C@@H](NC(=O)Nc1cccnc1Cl)c1ccccc1 756921994 NCPJCWACEMDRTA-CYBMUJFWSA-N 299.761 3.621 30 20 CHED C=CCCOCC(=O)Oc1ccccc1[C@H](C)CC 920788680 MWLHHBMYWWPNER-CYBMUJFWSA-N 262.349 3.698 30 20 CHED C=CC[C@@H](CC)NC(=O)CCCOc1ccc(C)cc1 684939896 XXHGMEAUQPXNOD-OAHLLOKOSA-N 275.392 3.625 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1cncc2ccccc12 925954919 RHEWYRMEHQMZMV-GFCCVEGCSA-N 253.349 3.975 30 20 CHED COCc1ccc(C=NNc2ccc(F)cc2C)cc1 750944897 BLJSYJDLKWUXFG-UHFFFAOYSA-N 272.323 3.727 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1ccccc1Br 759153927 ONVLDDZCYYFWCY-NSHDSACASA-N 295.176 3.857 30 20 CHED Cc1ccnc(NN=Cc2ccccc2C(F)(F)F)c1 755900071 JVMGXQULPFIWOR-UHFFFAOYSA-N 279.265 3.855 30 20 CHED C[C@H]1[C@H](C)CCN1C(=S)Nc1ccc(C#N)c(Cl)c1 751905801 CGJSLPFUVLRGRA-ZJUUUORDSA-N 293.823 3.639 30 20 CHED N#Cc1csc(C(=O)Oc2ccc3c(c2)CCCC3)c1 755131483 PNACHSPVFBZZRY-UHFFFAOYSA-N 283.352 3.718 30 20 CHED CCC/C=C/C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 752037943 RPJXSDACIKJXPI-GBELASRGSA-N 282.387 3.641 30 20 CHED Cc1ccc(NN=C[C@@H]2C[C@H]2c2ccccc2)nc1 755689037 JYRLMNCZYPVXGJ-GJZGRUSLSA-N 251.333 3.591 30 20 CHED CC(C)CN(CCO[C@H](C)C#N)Cc1cccc(Cl)c1 856809522 DLYBHLHCGMZBGT-CQSZACIVSA-N 294.826 3.727 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@H](O)c2cccc3ccccc23)C1 850515626 GKUDVUZWYHQGNT-OGWOLHLISA-N 294.398 3.545 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C)c2cccnc12 930117140 HIYUBQGQIGURTL-UHFFFAOYSA-N 268.360 3.581 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cc(C)ccc1C)OCC 756479075 IIAMPGVXGYXPLJ-MRXNPFEDSA-N 276.376 3.718 30 20 CHED C[C@H]1CC/C(=C/C(=O)OCCCCC(C)(C)C#N)C1 768744024 HEYWXJYKUSODEZ-UROBUVALSA-N 263.381 3.996 30 20 CHED C=CCCCC(=O)OCc1ccc(Oc2ccccc2)nn1 766118188 CFGAEMAPCVEWJR-UHFFFAOYSA-N 298.342 3.668 30 20 CHED C#CCN(C(=O)C[C@H]1CCC[C@H]1C)C1CCCCC1 769435021 JTTZTFMZLXDJIQ-HUUCEWRRSA-N 261.409 3.607 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 935278788 RSHXTDBWDYQWIY-FVQBIDKESA-N 281.440 3.689 30 20 CHED CCCCCCC[C@@H](C)CN1C(=O)CN(C(C)C)C1=O 761122228 QIHLNURQPOQXQY-CQSZACIVSA-N 282.428 3.656 30 20 CHED C#CCCCOC(=O)c1ccc(-c2ccsc2)nc1C 766889946 ZIBDIGJOXBIURN-UHFFFAOYSA-N 285.368 3.689 30 20 CHED c1ccc([C@H]2CCC2=NNc2nncc3ccccc23)cc1 769764270 MGITZFBOGZTWNY-OAHLLOKOSA-N 288.354 3.975 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccc(C)o1)c1ccncc1 766020928 REFZYUATJROISQ-ZFWWWQNUSA-N 256.349 3.951 30 20 CHED N#CCOc1ccc(COc2ccc(Cl)c(F)c2)cc1 761317837 UYQHURNMTUNWKD-UHFFFAOYSA-N 291.709 3.960 30 20 CHED CCCCCCOc1ccc(C=NOC)cc1OC 767493173 XUGVFZYTGRCVKE-UHFFFAOYSA-N 265.353 3.635 30 20 CHED C[C@@H](NCC1CCC(C#N)CC1)c1cccc(O)c1F 872069662 RTLHCJADGUFQQR-PNESKVBLSA-N 276.355 3.512 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1F 1116377816 PNPIUKQMVBDMPX-WEVVVXLNSA-N 281.286 3.602 30 20 CHED Cc1ccc(F)cc1C=NNc1ccc(F)cc1F 777879475 QGIDQIOEIZWFRL-UHFFFAOYSA-N 264.250 3.858 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 776375873 OUKKNLBGRYFPRV-MNOVXSKESA-N 291.313 3.838 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCC3)CC2 1117671242 CQHNTVXFHHYJPL-FQEVSTJZSA-N 288.394 3.824 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@H](C)[C@@H]1CC)c1ccccc1 773414626 MGDDWRXPZOXPTH-XIRDDKMYSA-N 284.403 3.581 30 20 CHED C[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F 1117890684 VMDQWCRQBNQNNF-GVXVVHGQSA-N 293.313 3.694 30 20 CHED CCCCCCCCCC(=O)NCC1=CCN(C)CC1 775883135 GIUVXJARNCTWSW-UHFFFAOYSA-N 280.456 3.505 30 20 CHED Cc1ccsc1C=NN[C@H]1CCCCC1(C)C 773122592 AMLDFCKBUYNCSH-ZDUSSCGKSA-N 250.411 3.949 30 20 CHED CC(=O)[C@@](C#N)(CCN(C)[C@H](C)C1(C)CC1)c1ccccc1 878179307 KUVVLOIRRJOWQS-BEFAXECRSA-N 298.430 3.547 30 20 CHED CCc1ccc(C(=O)/C=C\c2cc(C(=O)OC)co2)s1 774120703 SRKASLUJLAGULQ-XQRVVYSFSA-N 290.340 3.586 30 20 CHED Cc1ncsc1/C=C\C(=O)O[C@@H](C)c1cccc(C#N)c1 777306566 GPKLGKDDUMVASH-DGMVEKRQSA-N 298.367 3.641 30 20 CHED C=CC[C@H](C(=O)Nc1cccc(F)n1)c1ccccc1 777791529 MSVJEBKOJBQWBT-ZDUSSCGKSA-N 270.307 3.519 30 20 CHED C#CCCCCCCNc1ccc(CNC(=O)OC)cc1 876827809 XBVGPCWDCBKDHY-UHFFFAOYSA-N 288.391 3.538 30 20 CHED COc1cccc(OC)c1/C=C1\Cc2c(F)cccc2C1=O 776190445 WAXLOJZGKLDODS-ZHACJKMWSA-N 298.313 3.665 30 20 CHED C#CCCCCC(=O)Nc1nc2cc(F)c(F)cc2s1 773303560 YPGNHWXVVKBLQO-UHFFFAOYSA-N 294.326 3.707 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Cc1cccc([C@H](C)NC(=O)C2(C#N)CCCCC2)c1C 115286071 GVEDEJZTYBCDRB-HNNXBMFYSA-N 284.403 3.955 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1 23164347 XRKRAFLNLDKYHG-JXMROGBWSA-N 266.296 3.589 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Oc2cc(F)cc(F)c2)c1 302203092 IOVJWBBZKGRWNG-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C=C(C)CSCC(=O)Nc1cc(Cl)ccc1C 177871774 ADWHKGHZIYATSU-UHFFFAOYSA-N 269.797 3.896 30 20 CHED Cc1cc(C(=O)O[C@@H](C)CC#N)c(C)n1Cc1ccccc1 113695254 HGGNXJULOTUECM-AWEZNQCLSA-N 296.370 3.612 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/CCc1ccccn1 60803062 DZZFODQWSNYZDY-RQZCQDPDSA-N 295.169 3.756 30 20 CHED CCOc1ncccc1CNc1ccc(C#N)c(Cl)c1 301266482 UEJKJKZCSMLGSO-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC(C)OCCNc1ccccc1SC[C@@H](C)C#N 178387788 REZXWWPBFLXXLJ-ZDUSSCGKSA-N 278.421 3.775 30 20 CHED CCCN(CC1CCCCC1)c1ccc(C#N)cn1 60452563 SSBKYDIFAXULBN-UHFFFAOYSA-N 257.381 3.750 30 20 CHED CCN(CCSc1ccc(Cl)cc1)C[C@H](C)C#N 64248865 HHRQUJYVLLDRFY-GFCCVEGCSA-N 282.840 3.914 30 20 CHED C#CCCSc1nnc(-c2ccccc2F)n1C1CC1 178159307 ZSLPUHKPLSNJRY-UHFFFAOYSA-N 287.363 3.535 30 20 CHED Cc1ncsc1CCN(Cc1ccc(C#N)cc1)C(C)C 172076457 LCMZJDLSCMDPON-UHFFFAOYSA-N 299.443 3.776 30 20 CHED C#CCCCCC(=O)Nc1ccc(C)c(OCC(F)F)c1 119783962 SYEHDVZWWJTGPW-UHFFFAOYSA-N 295.329 3.771 30 20 CHED CC(C)[C@H](CNc1ccc(C#N)cc1)c1cccnc1 301596428 WKGBJEHVRPVVJY-KRWDZBQOSA-N 265.360 3.805 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 177579196 BNDRAEJUDDLEJH-RHSMWYFYSA-N 296.414 3.876 30 20 CHED C=CC1CCN(C(=O)c2cc3ccccc3n2CC)CC1 110361098 NDAVYMWCOFYPLE-UHFFFAOYSA-N 282.387 3.699 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1C)c1ccncc1 175744159 QDMYKNCBWLSJTO-OAHLLOKOSA-N 294.358 3.535 30 20 CHED C=CCC[C@@H](Nc1cncc(C)n1)c1ccccc1 302135063 DIUQGTDJMQLWFT-OAHLLOKOSA-N 253.349 3.904 30 20 CHED C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(C#N)c1 174429986 FEFJQUYGYOBDHM-CYBMUJFWSA-N 297.377 3.614 30 20 CHED N#Cc1cnc2ccccc2c1N1C[C@H]2CCCC[C@H]2C1 301520922 DHDJZPICDDPYJY-OKILXGFUSA-N 277.371 3.733 30 20 CHED C=CCCNc1cccc(C(=O)c2ccccc2)c1 303933018 XKHKESROGPIOQR-UHFFFAOYSA-N 251.329 3.906 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNc2ncc(C)s2)c1 302869104 ASTZPYYJGSUFHI-ZDUSSCGKSA-N 287.388 3.745 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)C(C)(C)c1ccccc1Cl 171531031 OYFYAUJMMCUTDQ-LBPRGKRZSA-N 292.810 3.626 30 20 CHED C=CCCCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 179136106 LGJZDKMPZMAWKL-UHFFFAOYSA-N 283.375 3.746 30 20 CHED CC(C)(C#N)CCSc1nnc(CCC2CCCC2)[nH]1 123931714 IWVXHVMGBHRIEJ-UHFFFAOYSA-N 292.452 3.959 30 20 CHED N#Cc1ccccc1/C=C/C(=O)c1cccc(F)c1 120643309 XLXRRXJPDGQJGM-CMDGGOBGSA-N 251.260 3.593 30 20 CHED CC1(C)C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CCO1 70350653 XQEYJVXYMDMJAG-NSHDSACASA-N 298.308 3.947 30 20 CHED CC[C@@H](C)N(C(=O)c1ccccc1OCC#N)[C@H](C)CC 184937120 NXCPXRLDIQBQCN-ZIAGYGMSSA-N 288.391 3.628 30 20 CHED CC[C@H](C#N)Sc1nnc(C[C@@H](C)c2ccccc2)o1 127162364 SJTFIQKLHMDOSX-DGCLKSJQSA-N 287.388 3.810 30 20 CHED C=C(C)[C@@H](N[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(F)c(F)c1 186450914 CZBVJZVBPVHICV-DXCKQFNASA-N 294.389 3.654 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3c(C)cccn23)cc1 125211482 BVUGAMGCZOQQOQ-MDZDMXLPSA-N 276.339 3.847 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(F)cc1F 189870739 HYQQZRXMZOEIQH-ZUZCIYMTSA-N 267.319 3.744 30 20 CHED CCCO[C@H]1CCCN(c2cc(Cl)ccc2C#N)CC1 122993257 WBLOVBALDOFDIB-HNNXBMFYSA-N 292.810 3.997 30 20 CHED N#Cc1cccc(C(=O)NC2(c3ccccc3)CCCC2)c1 505210280 MUMXFBCTAGYXQL-UHFFFAOYSA-N 290.366 3.758 30 20 CHED C=C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1C 489485740 YFRBSVKRQHLUTQ-CQSZACIVSA-N 292.810 3.627 30 20 CHED C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H](C)[C@H]1C 416109646 ITKKFEQZGTVXKH-ILXRZTDVSA-N 298.430 3.630 30 20 CHED C=CCCS(=O)(=O)N(C)[C@H](c1ccccc1C)C(C)C 120563770 LMSDQDAVYCCXCD-INIZCTEOSA-N 295.448 3.530 30 20 CHED COc1ccsc1C(=O)/C=C/c1ccsc1 184769650 UTRIHKSCOQCYIO-NSCUHMNNSA-N 250.344 3.714 30 20 CHED CCCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C 185900786 RJJMPZPHUMRPKY-ZNMIVQPWSA-N 294.439 3.559 30 20 CHED CSCCCCC(=O)Nc1ccc(C#N)c(Cl)c1 130656921 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CCc1ocnc1/C(O)=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 329611463 OBKDGHZTXMJHRC-SDDRHHMPSA-N 262.353 3.510 30 20 CHED C=CCC1(c2nc(-c3ccc(C(=O)OC)cc3)no2)CCC1 191289050 JOFFZSHFCPAIMN-UHFFFAOYSA-N 298.342 3.521 30 20 CHED Cc1ccccc1NCc1nnc(-c2ccc(C#N)cc2)o1 132655547 UATUTWYUZJLZFS-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=C[C@H](CC(=O)NC[C@H](OC)C(C)(C)C)c1ccccc1 137115301 BHBPRCLGIRGATC-ZBFHGGJFSA-N 289.419 3.524 30 20 CHED O/C(=N/C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1scnc1C1CC1 328949365 WNZRIZZRJLADQL-DLOVCJGASA-N 291.420 3.783 30 20 CHED CCCc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1 49054871 JEODTQSUJCDNEX-AWEZNQCLSA-N 284.384 3.894 30 20 CHED N#CCCCc1nc(-c2ccc(Cl)cc2Cl)no1 291101128 RHQZRLXWELFTAP-UHFFFAOYSA-N 282.130 3.890 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(C)cc1Cl 193174608 MMONYWWGLLRXRG-CYBMUJFWSA-N 294.826 3.873 30 20 CHED C=CC[C@H](C)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 512661422 SCWCSYFAGCYADZ-OJAHFUOMSA-N 298.474 3.841 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H]2CSC[C@H]2C)CCCC1(C)C 510266326 XZRGCUOMQDYQAZ-MCIONIFRSA-N 296.480 3.514 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccco2)cc(Cl)c1O 130861245 ZIWCGPHSFFJOSF-AATRIKPKSA-N 292.718 3.933 30 20 CHED Cn1ccc2cccc(N=C(O)[C@@H](O)C3CCCCC3)c21 329961952 SKVDUSWQHPTMJJ-INIZCTEOSA-N 286.375 3.708 30 20 CHED C=CCOCCCC(=O)NC(C)(C)c1cccc(Cl)c1 80393291 CUXSLTFVVULYHC-UHFFFAOYSA-N 295.810 3.674 30 20 CHED C#CCCCC(=O)N[C@@H](CC1CCC1)c1ccccc1 190614284 HYZXSCDTKAULOM-KRWDZBQOSA-N 269.388 3.838 30 20 CHED O/C(=N/C1CCC(F)(F)CC1)c1cnc2cnccc2c1 328670713 MVRTYYIYNWIIPB-UHFFFAOYSA-N 291.301 3.512 30 20 CHED C=CCNC(=O)c1cccc(F)c1Sc1ccccc1 511833209 TXICTBQZLIZKMW-UHFFFAOYSA-N 287.359 3.893 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCCC[C@H]1O 86016251 ILBKCKFJHQLXBM-IINYFYTJSA-N 298.308 3.540 30 20 CHED C[C@H]1C[C@H](c2ccccc2F)N(Cc2cc(C#N)n(C)c2)C1 191382590 CTTVAKLNBGDBKP-SCLBCKFNSA-N 297.377 3.619 30 20 CHED Cc1cnc(CN[C@@H]2CCCCc3cc(C#N)ccc32)s1 335885358 KKYMZRKGGGSXTR-MRXNPFEDSA-N 297.427 3.881 30 20 CHED C[C@@H](NCc1ccc2c(c1)CCCN2)c1cccc(C#N)c1 423438706 HDPAEMZAWLFOCO-CQSZACIVSA-N 291.398 3.767 30 20 CHED C=C(C)CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 428112322 JOSTXICOFZPMPK-UHFFFAOYSA-N 280.780 3.703 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 424705484 AAEDXEPFIVDPDB-AWEZNQCLSA-N 275.367 3.744 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/[C@H](C)C(C)C)s1 330921623 QMYKIOVRLSHCMX-NXEZZACHSA-N 270.398 3.590 30 20 CHED C#C[C@H](OC(=O)c1cccc(-c2csc(C)n2)c1)C1CC1 89491414 SZLXASPDAQTVIW-INIZCTEOSA-N 297.379 3.687 30 20 CHED C[C@@H]1Oc2ccccc2[C@@H]1NC1CCC(C)(C#N)CC1 336222680 BDWWTHQIRRLESY-UIMIYHRKSA-N 270.376 3.571 30 20 CHED N#Cc1nc(Oc2cncc(Cl)c2)ccc1C(F)(F)F 335819406 OWHBKUKFVPARJG-UHFFFAOYSA-N 299.639 3.813 30 20 CHED Cc1csc([C@H](C)/N=C(/O)c2cc(C(C)(C)C)on2)n1 330891059 WVMUJRCYFMMLAP-VIFPVBQESA-N 293.392 3.803 30 20 CHED Cc1nsc(NC(=O)c2ccc(C3CCC3)cc2)c1C#N 333834125 LWAXCXWDHFPAJI-UHFFFAOYSA-N 297.383 3.843 30 20 CHED CCCc1cccc(CNCc2ccc(C#N)s2)c1 421349668 JFDNUNDWWYAXTC-UHFFFAOYSA-N 270.401 3.862 30 20 CHED N#Cc1ccc(OCCCCC(F)(F)F)cc1F 269753809 SJBSNNSPYRNJFZ-UHFFFAOYSA-N 261.218 3.809 30 20 CHED C[C@@H](c1ccccn1)N(C)c1ccc2cc(C#N)ccc2n1 91463604 WSRQCNSVCODECE-ZDUSSCGKSA-N 288.354 3.699 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cncc(F)c1 90664663 XBBPJIYIPVSUAJ-GUYCJALGSA-N 283.350 3.916 30 20 CHED C=CC[C@H](CC)NC/C=C/c1ccc(F)c(F)c1 512344560 YKHGAQZINLZQCT-IYNGYCSASA-N 251.320 3.922 30 20 CHED C=CCC1(/C(O)=N/CCc2nc(C)oc2C)CCC1 330061921 OSYVWEDRQZOGGV-UHFFFAOYSA-N 262.353 3.537 30 20 CHED CCN(Cc1cc(F)cc(C(F)(F)F)c1)C[C@H](C)C#N 91983586 ADTKDIKMGLTZPF-SNVBAGLBSA-N 288.288 3.826 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(c3ncccc3Cl)CC2)C1 334366620 JHUPCYGTBHYVON-JSGCOSHPSA-N 289.810 3.607 30 20 CHED CN(CCSc1ccc(Cl)cc1)CC(C)(C)C#N 433314809 WQBDOIOWBWVDPI-UHFFFAOYSA-N 282.840 3.914 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)o1 336614269 PGEKEELTTPXRPH-DZGCQCFKSA-N 294.354 3.560 30 20 CHED CCC(CC)CN(CCC#N)Cc1ccc(OC)c(O)c1 93101007 SMVIAVGAJKGAPR-UHFFFAOYSA-N 290.407 3.553 30 20 CHED CC[C@@H](c1ccccc1OC)N(C)c1cccc(C#N)n1 340970675 NHYPGOQPWWABBW-HNNXBMFYSA-N 281.359 3.549 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCc1ccc(-c2ccccc2)o1 349331307 YZQHWXUWIUTKQB-CQSZACIVSA-N 296.370 3.640 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@H]1CCCC 524118786 KNGAVAFOEVTITC-CABCVRRESA-N 266.429 3.953 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCc2cc(F)c(Cl)cc21 529540925 FDIGCDBXCHVSAU-QMTHXVAHSA-N 266.747 3.748 30 20 CHED C[C@H](CC#N)N(C)[C@H]1CC[C@](C)(c2ccccc2)C1 249775435 KGLCGJMICRGHQZ-PVAVHDDUSA-N 256.393 3.731 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C 249134780 WNIQCOVAJFJBBD-UWWQBHOKSA-N 271.404 3.993 30 20 CHED C=CCCN(C)C(=O)c1ccc(Sc2ccccn2)cc1 344267778 VEJMNZPCBWATBW-UHFFFAOYSA-N 298.411 3.881 30 20 CHED CC[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764305 LAXXXHGEGYEQFL-LBPRGKRZSA-N 295.342 3.730 30 20 CHED COc1ccc(CCSc2ccccc2C#N)cc1 439713860 AZNIENBUUJYPKS-UHFFFAOYSA-N 269.369 3.902 30 20 CHED C=CCC[C@@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 431145595 YVFXQBXRNBZVHF-MRXNPFEDSA-N 282.387 3.546 30 20 CHED CC1(C#N)CCC(Nc2ccc3oc(CO)cc3c2)CC1 603431138 FFWDKOXXHLMAGT-UHFFFAOYSA-N 284.359 3.809 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCCc2ccc(F)cc21 529223570 JRNMTVPEDUMPOK-OAHLLOKOSA-N 288.366 3.649 30 20 CHED C[C@H](N[C@H](C)CC(F)(F)F)c1ccc(C#N)c(F)c1 344101430 HRFXGZHJDYGAMP-BDAKNGLRSA-N 274.261 3.689 30 20 CHED O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)c1ccco1 255055872 MUVBJUIYTHIXGR-ARJAWSKDSA-N 290.702 3.600 30 20 CHED CC(C)(CCC#N)CNC(=O)CC1(C)CCCCC1 345879706 DYGGUIPFUUMVRY-UHFFFAOYSA-N 264.413 3.793 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C\c2csnn2)cc1 255880895 TZIMPPPOERFSFQ-YVMONPNESA-N 290.413 3.935 30 20 CHED C=CCCC1(C(=O)Nc2ccc3oc(CO)cc3c2)CC1 521460534 FAWTXNXYKBDYHQ-UHFFFAOYSA-N 285.343 3.610 30 20 CHED C=CCCOCCNc1c(C)cc([N+](=O)[O-])cc1Cl 444824840 BZEXTPUIFIFLSQ-UHFFFAOYSA-N 284.743 3.561 30 20 CHED C=CCCCN1C[C@@H](c2ccccc2C)OC[C@@H]1C 441449730 OKSDCROYILQYKD-RDJZCZTQSA-N 259.393 3.723 30 20 CHED COC(=O)c1ccc(C(C)C)c(N[C@@H]2CC[C@H](C#N)C2)c1 442880635 ZFBFACKZIFVCDK-GXTWGEPZSA-N 286.375 3.701 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC(OC(C)(C)C)CC1 537267953 ORGPIYBEKJQDPK-AWEZNQCLSA-N 296.455 3.720 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2nc(-c3ccccc3)c[nH]2)c1 263639509 IGCTVJZOMGUYBR-KTKRTIGZSA-N 299.333 3.844 30 20 CHED Cc1cc(Cn2c(C)cc(=O)c3sccc32)ccc1C#N 358595485 RGKMWNQHUCPTGT-UHFFFAOYSA-N 294.379 3.600 30 20 CHED N#Cc1ccc(N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 609289041 OTJPRMIOGNKCCQ-OAHLLOKOSA-N 299.324 3.527 30 20 CHED CC(C)=CCS[C@@H](C)C(=O)Nc1ccccc1C#N 446117507 QNUXGEGESDPFJH-LBPRGKRZSA-N 274.389 3.585 30 20 CHED CCC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCC1 537407711 YNJGNDMXNLPGHP-LBPRGKRZSA-N 260.356 3.928 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H]1c1ccccc1 448158565 FPAPYPSRWHQWRE-GOSISDBHSA-N 292.382 3.904 30 20 CHED COC(=O)c1cccc(COc2cc(C)ccc2C)c1C#N 534425411 JCMSYQFNQKDTQD-UHFFFAOYSA-N 295.338 3.541 30 20 CHED Cc1cc(NC(=O)Nc2cccc(C#N)c2)cc(C)c1O 443138598 XCNJYBVVIBHWJG-UHFFFAOYSA-N 281.315 3.525 30 20 CHED C=CCC1(NC(=O)CCC(=O)c2cccs2)CCCC1 619105674 HPQHEBZFYBRYDF-UHFFFAOYSA-N 291.416 3.716 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCC[C@@H](C(C)C)C1)OCC 535908697 AURQODBUBAPHNX-PMPSAXMXSA-N 281.440 3.689 30 20 CHED CCC(C)(C)CNC(=O)C[C@H](CC#N)c1ccccc1 357135242 YCLPYXWXCGTTQX-HNNXBMFYSA-N 272.392 3.626 30 20 CHED Cc1cc(C)cc(N/C(N)=N/CCSC(C)(C)C)c1 261973655 FAWZNSMJPAEBFV-UHFFFAOYSA-N 279.453 3.562 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(C)sc2C)C1 617788236 DRDSMSYAALFAGC-ZDUSSCGKSA-N 263.406 3.793 30 20 CHED N#Cc1ccc(Sc2sccc2[N+](=O)[O-])c(F)c1 611412955 SGVBUQWTCPYLTI-UHFFFAOYSA-N 280.305 3.818 30 20 CHED C=CC[C@H]1N(C(=O)N[C@H](C)c2ccon2)CCCC1(C)C 445251817 QMSWSNDQIIUIER-TZMCWYRMSA-N 291.395 3.512 30 20 CHED C=CCCCSCCCC1(C#N)CCOCC1 356938214 QYKIAVVUAZRQLA-UHFFFAOYSA-N 253.411 3.786 30 20 CHED C=CCC[C@H](O)CN1CC=C(c2ccc(CC)cc2)CC1 536744346 XIYRCFVUFFVGSG-IBGZPJMESA-N 285.431 3.665 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(C)(C)C#N)CCC2 536488021 KLHYUZWIUFJXJD-INIZCTEOSA-N 284.403 3.853 30 20 CHED Cc1cc(N2[C@@H](C)C[C@H](CC(F)(F)F)[C@H]2C)cc(C#N)n1 450568370 NMDMBVYPOVDWLL-QJPTWQEYSA-N 297.324 3.817 30 20 CHED CC(C)(C#N)CNCc1ccc(-c2c(F)cccc2F)o1 612585321 XGAWRXBSUIBTTR-UHFFFAOYSA-N 290.313 3.864 30 20 CHED C=C(CC)CN[C@@H](c1cccs1)C1(CO)CCC1 452061232 OWUXOMCDZZRJEA-AWEZNQCLSA-N 265.422 3.508 30 20 CHED N#Cc1cccc(Sc2ccc(F)c(Cl)c2)n1 534396558 ZDGGWZSRULGFJA-UHFFFAOYSA-N 264.712 3.897 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ccc(Cl)cc1 454170038 XHOWFOWRCZGGRJ-NSHDSACASA-N 266.772 3.666 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCCCCC#N 362555286 HPYZENOYLWQLLH-CABCVRRESA-N 284.403 3.786 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(-c2cnco2)c1 613271085 FMOPYEBZNKWSBR-ZDUSSCGKSA-N 284.359 3.816 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc2c(F)cccc2[nH]1 540620738 APKBXGRGRNYNBU-LLVKDONJSA-N 274.339 3.782 30 20 CHED C#CCCCNc1cc(NC(=O)C(C)(C)C)ccc1C 270882228 FODCFKCHQKJOIR-UHFFFAOYSA-N 272.392 3.805 30 20 CHED C=CCC[C@H](NCC[C@@H]1CCO[C@H](C)C1)C1CC1 541559055 KLIYUAXEMNVTIO-FMKPAKJESA-N 251.414 3.526 30 20 CHED C=CCC1(CNC(=O)Nc2nc(C)c(C)o2)CCCC1 454325979 NUBHBZDVVYXUKW-UHFFFAOYSA-N 277.368 3.549 30 20 CHED C=CCC1(C(=O)Nc2cccc(NC(=O)OC)c2)CCC1 276777619 BQSRPFALEAANTH-UHFFFAOYSA-N 288.347 3.550 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C 456317749 FLEMFJHSQIZRJE-HZPDHXFCSA-N 263.425 3.894 30 20 CHED C[C@H]1C[C@@H](CCNc2cccc(Cl)c2C#N)CCO1 450444358 XGJZYYUMFWZEQK-RYUDHWBXSA-N 278.783 3.829 30 20 CHED C=C(CNC(=O)c1cc(C)n([C@@H](C)CC)n1)c1ccccc1 360225530 KERCOKORZFOPOA-AWEZNQCLSA-N 297.402 3.606 30 20 CHED C=CCC1(C(=O)NCCCC(F)(F)F)CCCC1 450002834 KBNPNXXPDINGDI-UHFFFAOYSA-N 263.303 3.582 30 20 CHED Cc1ccc(C)c([C@H]2CN(CC3(C#N)CCC3)[C@@H](C)CO2)c1 450442711 TVIMSDQAORPLAY-FUHWJXTLSA-N 298.430 3.759 30 20 CHED CCC1(NC(=O)Nc2cccc(CC#N)c2)CCCC1 455901051 DHUHJTRXSIYWGI-UHFFFAOYSA-N 271.364 3.597 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1c(C)noc1C 279481089 RLERNVKVFIVVLK-UHFFFAOYSA-N 299.374 3.902 30 20 CHED C=C(C)CCNC(=O)N1CCCC[C@H]1c1ccccc1 459001855 NJZSGCHOWNZYBA-INIZCTEOSA-N 272.392 3.889 30 20 CHED C/C(=C\C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC1 365638337 ZVGKRCVFJJKDLQ-QHFGJBOXSA-N 294.398 3.641 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C1CC1 545487583 CAQOJJVCXDVBDN-CQSZACIVSA-N 298.430 3.986 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC1(CCOC)CCCCC1 543623830 MOQBEVKLTBCLLE-OAHLLOKOSA-N 296.455 3.627 30 20 CHED Cc1ccc2[nH]c(S[C@H]3CC[C@@H](C#N)C3)nc2c1 278560962 MMXKJZFSWUYKTJ-MNOVXSKESA-N 257.362 3.656 30 20 CHED CC(C)n1ccc(CSCCC(C)(C)C#N)n1 276564122 CTJIQWLKSAHBIW-UHFFFAOYSA-N 251.399 3.637 30 20 CHED C=CCN(C(=O)c1ccc(C2CC2)cc1)C(C)(C)C 622945602 KOBVQZAPLJFHSR-UHFFFAOYSA-N 257.377 3.991 30 20 CHED C=CCC1(NCc2ncnn2-c2ccccc2)CCCCC1 625934384 LRBKJIXTHSCSIF-UHFFFAOYSA-N 296.418 3.636 30 20 CHED CCc1cccnc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 270909306 WMRLDQPWHGJVGH-UHFFFAOYSA-N 293.370 3.697 30 20 CHED C[C@H](NCCSC(F)(F)F)c1ccc(C#N)c(F)c1 271952154 RNNIZJRPSACXNB-QMMMGPOBSA-N 292.301 3.601 30 20 CHED CC1(C)CCCN(Cc2ccc(C(F)(F)F)cn2)[C@H]1C#N 277678451 GDZMJSUWUXODPN-ZDUSSCGKSA-N 297.324 3.615 30 20 CHED C=CCC[C@@H](NC(=O)CC(C)(F)F)c1ccccc1 277372192 BSNFDNSXMLCGDW-CYBMUJFWSA-N 267.319 3.855 30 20 CHED C=CCCN(C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 276349822 DBYKIRYNJVSTCF-LBPRGKRZSA-N 289.354 3.753 30 20 CHED N#CCCN1CCC(F)(c2cccc(Cl)c2)CC1 375989114 PVZRJRMSLQZALX-UHFFFAOYSA-N 266.747 3.514 30 20 CHED N#Cc1cccc(OCCCNC2(c3ccccc3)CC2)c1 540359277 HJPMFJREPWPSPU-UHFFFAOYSA-N 292.382 3.606 30 20 CHED C[C@H](CCOCc1ccccc1)/N=C/c1cccc(O)c1O 287372730 ZIEGBMBEWAOWQB-ONDHQXCVSA-N 299.370 3.512 30 20 CHED C[C@H](Sc1ccccc1)C(=O)N[C@](C)(C#N)C(C)(C)C 464157528 FFOXKWBZHKWHLL-BLLLJJGKSA-N 290.432 3.612 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(OC(C)C)c1 280670844 PULTUHGJHDRACI-SJLPKXTDSA-N 289.419 3.545 30 20 CHED Cc1cc(C)nc(Oc2ccc(C#N)c3ccccc23)n1 555269546 PFQZLWXLFCXEHW-UHFFFAOYSA-N 275.311 3.911 30 20 CHED Cc1cc(N2CC[C@H](Cc3ccccc3)[C@@H]2C)cc(C#N)n1 553154154 ASQLAXSUXSYLRI-DOTOQJQBSA-N 291.398 3.719 30 20 CHED COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c(F)cn1 287797670 TXUVFRVKUYCWEM-NEPJUHHUSA-N 299.349 3.513 30 20 CHED COc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2)cc1 88305111 WQALNVGCFRRXMF-QPJJXVBHSA-N 274.266 3.870 30 20 CHED C#CCCCCC(=O)Nc1ccc(Cl)c(CN(C)C)c1 281777714 UVWYCJJKLWYWLC-UHFFFAOYSA-N 292.810 3.534 30 20 CHED C=C[C@](C)(CC)c1nc([C@@H](OC)c2ccc(F)cc2)no1 289768889 POCUOHCKYYBQRF-XJKSGUPXSA-N 290.338 3.798 30 20 CHED N#Cc1cc(Oc2ccc(NCC3CC3)cc2)ccn1 289740901 GTKGIJOAJPWHFB-UHFFFAOYSA-N 265.316 3.567 30 20 CHED C=C(C)CS[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 479143262 NSBIIDBOMBMDQI-ZDUSSCGKSA-N 299.798 3.894 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1c(C)cnn1C 289015555 FXBSDSPOSGIYEW-UHFFFAOYSA-N 295.839 3.632 30 20 CHED C=CCC[C@@H](C)Nc1cccc(-n2cc(C)nc2O)c1 475515143 ZFWSMCAHESPFJO-GFCCVEGCSA-N 271.364 3.653 30 20 CHED CC(C)c1cccc2c1CCN([C@@H]1CC[C@@H](C#N)C1)C2 294672310 RWPUDVAQOPULRE-GDBMZVCRSA-N 268.404 3.860 30 20 CHED C=CCCCCNC(=O)Cc1cccc(C(F)(F)F)c1 471718603 UMUCKWYJWINOCX-UHFFFAOYSA-N 285.309 3.720 30 20 CHED C=CCC(C)(C)c1noc(C2(c3cccc(C#N)c3)CC2)n1 556364534 GFTANIKXJKLLOF-UHFFFAOYSA-N 293.370 3.875 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCCOC(C)(C)C 808522563 WNAPUTIJNMLIKT-UHFFFAOYSA-N 282.428 3.560 30 20 CHED CC[C@@H](C#N)OC(=O)c1sc2cc(F)ccc2c1C 805706641 JCBVIDGVEFONRZ-JTQLQIEISA-N 277.320 3.808 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)c1cccc(CC#N)c1 295766635 KGZSUWZHODDXRH-SFHVURJKSA-N 284.403 3.793 30 20 CHED COc1ccccc1CCCn1nc(C#N)c2ccccc21 476049939 MVABZIPRNOMABS-UHFFFAOYSA-N 291.354 3.549 30 20 CHED C[C@H](C#N)OCCN[C@@H](c1ccccc1F)C1CCCC1 801938729 IOWHBVFAVOXFRL-CXAGYDPISA-N 290.382 3.575 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1CCN(C(C)C)C1 809735620 MKNLWZQJSOPUOP-DLBZAZTESA-N 266.473 3.831 30 20 CHED CC(C)c1[nH]ccc1C(=O)O[C@@H](C#N)C1CCCCC1 803779962 SRELCTKTPAKFHJ-AWEZNQCLSA-N 274.364 3.767 30 20 CHED C=CC[C@@H](C)[C@@H](C)NCc1cc(F)cnc1Cl 295103173 KQOYJATVGQVCNH-NXEZZACHSA-N 256.752 3.564 30 20 CHED N#Cc1ccncc1NCc1cc(Cl)cc(Cl)c1O 808088849 DVIIKHXCTXZBNM-UHFFFAOYSA-N 294.141 3.578 30 20 CHED C=CCOCCCSc1nnc(-c2sccc2C)o1 475982249 WMPWLVJEBZAIJS-UHFFFAOYSA-N 296.417 3.791 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2ccc(C)o2)n1 560028742 RBZVGYKVZGPTAT-HJWRWDBZSA-N 258.321 3.995 30 20 CHED N#C[C@H]1CC[C@@H](N2CCC(Cc3ccccc3F)CC2)C1 293204785 UONUZSCVHTXMRV-DOTOQJQBSA-N 286.394 3.772 30 20 CHED C#CCCCOC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801897401 FUQPEKUJFWHIBQ-GFCCVEGCSA-N 288.240 3.673 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(-c2ccccc2)cc1C 806199056 UWYSRGLSOQRSQW-AWEZNQCLSA-N 278.355 3.805 30 20 CHED C=CCCCCNC(=O)c1sccc1C(C)C 471710025 XEMJLPIWIWMBDD-UHFFFAOYSA-N 251.395 3.958 30 20 CHED C#CCN(Cc1ccccc1)C(=O)N[C@H](C)C[C@@H](C)CC 806873504 CKCJIEHCDIGNSY-JKSUJKDBSA-N 286.419 3.656 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CCC[C@H]2C[C@@H]12 800817070 IIHBYASVSZIUQX-VHSXEESVSA-N 278.787 3.841 30 20 CHED C#CCC1(c2nc(-c3ncccc3CC)no2)CCCCC1 809409520 PXFGCEOLKGMLOH-UHFFFAOYSA-N 295.386 3.919 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccn2CC=C)CCCC1(C)C 470291868 HWHWQPUDHQDCKR-INIZCTEOSA-N 286.419 3.881 30 20 CHED C=CCCCCCCNC(=O)/C=C\c1cnc(C)s1 805219470 MIOGTCFKMLVGQM-KTKRTIGZSA-N 278.421 3.717 30 20 CHED C[C@@H]1/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 809155922 HXXOMHSYVOGPSC-OKHBPPCESA-N 279.295 3.978 30 20 CHED C=CCOC(=O)c1ccc(OCCC)c(OCCC)c1 807579703 RHZYVHKUMLHGGC-UHFFFAOYSA-N 278.348 3.607 30 20 CHED N#CCc1ccccc1NC(=O)Cc1ccc(Cl)s1 566821251 ONLCWXYPILYOAX-UHFFFAOYSA-N 290.775 3.649 30 20 CHED C=CCCCCCN1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 488461176 NNXFBOCFZFFQBC-OKZBNKHCSA-N 276.468 3.539 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1c(C)n[nH]c1C 812232638 JJTDTRZXGDVANL-UHFFFAOYSA-N 270.380 3.904 30 20 CHED CC[C@H](C)[C@H]1CCCCN1c1ccc(C#N)c(C)n1 488090340 AELUSUFGBVAKTI-SWLSCSKDSA-N 257.381 3.667 30 20 CHED C=C(CNC(=O)Nc1c(C)cccc1OC)c1ccccc1 483518657 GPOBKTHLFVKONZ-UHFFFAOYSA-N 296.370 3.839 30 20 CHED C=CCCCC(=O)NCc1ccc2sccc2c1 562218073 AXSPXOUBMXTIRR-UHFFFAOYSA-N 259.374 3.874 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)s1)[C@H](C)C1CCCCC1 487774614 XKWYZYUGDYXWLT-RYUDHWBXSA-N 290.432 3.954 30 20 CHED CCCCn1nc(C)c(CN(C)CC(C)(C)C#N)c1Cl 816632025 QECIVWSYRDAZGI-UHFFFAOYSA-N 296.846 3.627 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C#N 483051870 RSYUDVYGUOOJAX-OCCSQVGLSA-N 256.349 3.713 30 20 CHED N#Cc1c(F)cccc1/C=C\C(=O)c1ccccc1 811685418 RJLOGTFQPPNMSR-KTKRTIGZSA-N 251.260 3.593 30 20 CHED C[C@@H](COc1ccccc1)NN=C/C=C/c1ccc(F)cc1 811667510 WURYYTIHDIHRCG-ZEPMRYRDSA-N 298.361 3.882 30 20 CHED C[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(F)cc1 578809304 GYFOSLWZKPLEEQ-NSHDSACASA-N 299.305 3.821 30 20 CHED C=CCCCCC[C@@H](C)NC1CCC(N(C)C)CC1 817414349 WYLPCBZAVLOCIG-KLAILNCOSA-N 266.473 3.974 30 20 CHED N#C[C@@H](OC(=O)c1ccc(C2=CCCC2)cc1)C1CC1 810601529 AABGHNLZULJJHJ-MRXNPFEDSA-N 267.328 3.713 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OC2CCCC2)nc1 815277867 KQZAMVNUKSWZCW-UHFFFAOYSA-N 296.317 3.553 30 20 CHED CC[C@@H](Nc1ccc(Cl)c(C#N)n1)C(C)(C)C 486964501 HYPJGXBYVFANNT-LLVKDONJSA-N 251.761 3.843 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](CCC)Cc1ccccc1 815337244 FWXJQZIZDDFZNV-CQSZACIVSA-N 281.346 3.725 30 20 CHED C#C[C@@H](NC(=O)C(C)(C)C1CC1)c1ccc(Cl)cc1 811949962 QYFIKFBNWFNJJF-CQSZACIVSA-N 275.779 3.567 30 20 CHED Fc1ccc(NN=Cc2cccc3cccnc23)c(F)c1 818196567 SLBDOYMENLMNCG-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C[C@H](OC(=O)CCCC#N)c1ncc(-c2ccccc2)o1 812616586 IORQWNKJIMWNNP-LBPRGKRZSA-N 284.315 3.640 30 20 CHED C=CCCC(=O)OCC(=O)c1ccc(CCCC)cc1 726652758 ULSOATMJQNGFDM-UHFFFAOYSA-N 274.360 3.721 30 20 CHED CCN(C)c1ccc(C(C)=NOC/C=C/Cl)cc1 811672298 VVNGQCFVXAPKGH-KZBPXQEZSA-N 266.772 3.636 30 20 CHED CC(C)OCCON=C1CCC[C@@H]1c1ccc(F)cc1 812238574 ADRATNYGDOFGDR-OAHLLOKOSA-N 279.355 3.891 30 20 CHED C=CCCn1cc(CNc2ccccc2C(C)(F)F)nn1 656119259 DBLDKNJWDAZTQA-UHFFFAOYSA-N 292.333 3.578 30 20 CHED C=CCCCC[C@@H](C)NC[C@@H](O)c1ccsc1 823911832 WGBZXSYPMRDPBL-TZMCWYRMSA-N 253.411 3.506 30 20 CHED Cc1ccc(C=NNc2nc(-c3ccccc3)no2)s1 726739227 GZIOIYHORLGWAN-UHFFFAOYSA-N 284.344 3.553 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC(C)(C)CCOC 657974009 KTZVGPBFGUYVHF-GJZGRUSLSA-N 253.430 3.774 30 20 CHED C#CCCCOc1cccnc1N1CCC[C@H](CC)C1 820623955 ITMUQSSOHLFMSA-HNNXBMFYSA-N 272.392 3.500 30 20 CHED CC(C)Oc1ccccc1[C@H](C)NCc1ccc(C#N)cn1 575326289 MPFMCZCHINPMIV-AWEZNQCLSA-N 295.386 3.591 30 20 CHED CCCCCCCC(=O)Nc1nc(C(F)(F)F)co1 821630679 HLZRQGBGOABHQV-UHFFFAOYSA-N 278.274 3.992 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H](C2CCCC2)C1 823091413 LJGPRVNBQLNUKX-INIZCTEOSA-N 282.387 3.519 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2cccs2)C1 660327881 FMHPSQRJAQADFL-UONOGXRCSA-N 292.448 3.677 30 20 CHED C/C=C(/C=C\C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CC 493142689 XVROLUJQHFNTGM-JDHRJDCYSA-N 282.387 3.990 30 20 CHED C=CCCC(=O)Nc1cc(F)ccc1N1CCCCC1 588815951 MNAAUKUAKOUNIG-UHFFFAOYSA-N 276.355 3.721 30 20 CHED C#C[C@H](NC(=O)CC1CC(F)(F)C1)c1ccc(Cl)cc1 491633663 SNASNXLYNMWJEP-ZDUSSCGKSA-N 297.732 3.566 30 20 CHED CC(C)(C)c1csc(NC(=O)CCCCCC#N)n1 588271973 LKCAREHIGWHLDD-UHFFFAOYSA-N 279.409 3.853 30 20 CHED N#CC1(C(=O)OCC[C@@H]2CC2(Cl)Cl)CCCCC1 820302163 SXLQWHSGEDOVSA-SNVBAGLBSA-N 290.190 3.588 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(C2CC2)cc1 908666486 SMFSISOCGOUCSX-QGZVFWFLSA-N 297.398 3.704 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CC[C@@H](F)C1 583462203 YQRIBGOTBPNINY-GHMZBOCLSA-N 272.245 3.880 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)cn1 732940717 YHLCLWDCJRTUKC-SFHVURJKSA-N 292.382 3.532 30 20 CHED C=CCC[C@@H](C)N[C@H](C)CCOCc1ccccc1 389915816 MTWJQNDLBBELFQ-HZPDHXFCSA-N 261.409 3.926 30 20 CHED Cc1ccc(C(=O)/C=C/c2cncn2C(C)C)cc1C 901418120 YKWDAFPRUAXHPV-BQYQJAHWSA-N 268.360 3.977 30 20 CHED C=CCOCCN(CCC)[C@H]1CCc2ccccc21 581561358 QZBZGFAEWVWURN-KRWDZBQOSA-N 259.393 3.589 30 20 CHED C=C[C@H](CC)CC(=O)NC1CCC(CSC)CC1 821138319 ZGFSOWSUHLUMLG-IYXRBSQSSA-N 269.454 3.627 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1ccc(F)cc1C 731313607 BCDILDXMXZIBMK-UHFFFAOYSA-N 294.333 3.913 30 20 CHED C[C@H](NC(=O)CCCCCC#N)c1cccc(F)c1F 588162871 NBIWPZFJGOHMBU-NSHDSACASA-N 280.318 3.616 30 20 CHED C=CCCCOC(=O)[C@H](C)Cc1cccc(F)c1 735532152 KBWCCOURAFKEHN-GFCCVEGCSA-N 250.313 3.514 30 20 CHED CCc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)s1 731158597 FNXZKVYEANLYQL-BQYQJAHWSA-N 274.389 3.984 30 20 CHED Cc1cccc(C=NNc2cccc([N+](=O)[O-])c2)c1C 731149049 GWULEODSUWFYBE-UHFFFAOYSA-N 269.304 3.658 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C(=O)O)c1ccc(C)c(C)c1 901843031 CRDFYTNHMKOOQR-HZPDHXFCSA-N 275.392 3.764 30 20 CHED CC(C)C[C@H](C/N=C\c1c(O)ccc2ccccc12)C(=O)O 736403806 KOKVTRMWCYPYOB-AXLWCPOOSA-N 299.370 3.711 30 20 CHED CCSc1ccccc1[C@H](C)NCC1(C#N)CC1 903106911 YKONSMAMDNFACA-LBPRGKRZSA-N 260.406 3.753 30 20 CHED CCC(CC)[C@@H]1C[C@@H](NC(=O)CCCCCC#N)CCO1 588163204 DRHMSTGEZPCYHW-HOTGVXAUSA-N 294.439 3.560 30 20 CHED CN(CCC1CCCCC1)C(=O)c1ccsc1C#N 906498809 ANKYHZYTSGYSCA-UHFFFAOYSA-N 276.405 3.662 30 20 CHED C=CCCC[C@@H](NCc1cc2ccccc2s1)C(=O)O 900067887 RSEUSRHNEGNTJU-CQSZACIVSA-N 289.400 3.800 30 20 CHED C=C(Cl)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 736245391 SEHJSDUFVSMNLL-UHFFFAOYSA-N 288.778 3.529 30 20 CHED CC[C@@H](C)CC=NNc1ccc(Cl)c(C(=O)O)c1 834915225 HJUWHYIGOPXSHA-SECBINFHSA-N 268.744 3.872 30 20 CHED COCC(CC(C)C)=NNc1nccc2sccc12 730728060 IOFHBDWKYSITSO-UHFFFAOYSA-N 277.393 3.757 30 20 CHED CS[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 839056276 SPBFIGGQXUTOBO-CFVMTHIKSA-N 289.400 3.716 30 20 CHED Cc1cc(F)c(COC(=O)CCCCCC#N)cc1F 836015863 KFWMNTMHCGZSBW-UHFFFAOYSA-N 281.302 3.791 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(C(F)(F)F)cn1 903008474 PDHLNIVLJQULHJ-JTQLQIEISA-N 272.314 3.963 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1nccnc1Cl 733078725 JFXCSERLHCKLGQ-UHFFFAOYSA-N 288.782 3.859 30 20 CHED Cc1nc(CC(C)C)c(NC(=O)C#CC(C)(C)C)s1 837471632 SAILPZFUFJELNZ-UHFFFAOYSA-N 278.421 3.638 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1COc2c(Cl)cccc21 675160980 UIECNTLIHPZDPG-CQSZACIVSA-N 291.778 3.658 30 20 CHED COc1ccc([C@@H](NCC2(C#N)CCC2)C2CC2)c(F)c1 903034675 AMOOISJRVXCIGT-INIZCTEOSA-N 288.366 3.569 30 20 CHED C=C1CC(c2noc([C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)n2)C1 904108371 KMPXLTDMWSAMFD-KGLIPLIRSA-N 297.314 3.683 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1O 733081219 RGQGDJYWDWDXIZ-BQESUSLJSA-N 276.336 3.544 30 20 CHED O=C(C#CC1CC1)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 837693776 WITADTIKXLUIAI-ZBFHGGJFSA-N 287.790 3.506 30 20 CHED C#CCC[C@@H](C)OC(=O)c1c(-c2ccccc2)noc1C 839033729 HQWSWJHOLGZPQV-GFCCVEGCSA-N 283.327 3.609 30 20 CHED CC1CCC(=CC(=O)N(CC#N)c2ccccc2)CC1 734101888 PATSVWRFHBNSCX-UHFFFAOYSA-N 268.360 3.680 30 20 CHED C#CCC[C@@H](C)OC(=O)c1oc2ccccc2c1COC 839035730 ZRJSWMUELRHNBG-GFCCVEGCSA-N 286.327 3.538 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C 593978432 YFBYONMWXMIDJP-LLDVTBCESA-N 298.430 3.678 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(C)(C)C#N)cc1 598445794 SFUAUJBTNFEQDM-FUCXHRTASA-N 296.414 3.891 30 20 CHED CC(=NNCc1ccc(Cl)cc1Cl)c1ccncc1 914696267 AKKLWNIQAGFNNA-UHFFFAOYSA-N 294.185 3.902 30 20 CHED N#C[C@@H]1CCCC(=NNc2cc(C(F)(F)F)ccn2)C1 834986012 RCSVMSNXBLHCTM-SECBINFHSA-N 282.269 3.582 30 20 CHED CC[C@H](C#N)C(=O)Nc1cc(Cl)ccc1NC(C)C 597894186 JRUQHTIBJMDVOK-SNVBAGLBSA-N 279.771 3.649 30 20 CHED Cc1ccc([C@@H]2CCCC2=NNc2cc(C)ncn2)cc1 741843632 QYTYJZAAUBLDRP-HNNXBMFYSA-N 280.375 3.829 30 20 CHED CCS[C@H]1CCC[C@H](Nc2nc(C#N)ccc2C)C1 596152412 XCMPDPRSZDJAIR-JSGCOSHPSA-N 275.421 3.738 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@H]1CCc2ccccc21 678881348 GVRJLUCWINLYGN-GOEBONIOSA-N 271.404 3.968 30 20 CHED C=CC[C@@H](NC(=O)CC(C)(C)CC)c1ccncc1 744513555 UPLPPHRPTBWVSW-CQSZACIVSA-N 260.381 3.641 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(F)cc1 743450900 TUVFISVGBUFVKI-UHFFFAOYSA-N 263.703 3.710 30 20 CHED C=CCCSCCNC(=O)C[C@H]1CCc2ccccc21 597968284 RJBBKGVIWVCQTK-OAHLLOKOSA-N 289.444 3.532 30 20 CHED Cc1cccc(C)c1OCCCN1CCC[C@@H](CC#N)C1 595617333 YLPUXHBNFNTQRB-KRWDZBQOSA-N 286.419 3.698 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)N(CC#N)c1ccc(Cl)cc1 592650942 CVVDNSRXLDZVPE-NWDGAFQWSA-N 278.783 3.879 30 20 CHED CCON=Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 917543778 ZHRJYMZNAUUQNC-UHFFFAOYSA-N 277.755 3.513 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 917999973 FAGSYADILNFHPO-LBPRGKRZSA-N 295.383 3.649 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCc1ccc(F)cc1 599884732 BGILRLURHCGPQF-ZDUSSCGKSA-N 295.423 3.872 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cnc(C)cn1 917871946 AVJONRNMZUPCDO-CYBMUJFWSA-N 277.412 3.511 30 20 CHED CCOc1cccc(/C=N/Cc2sccc2C)c1O 914558385 VJRUUYGGNKKWNO-CXUHLZMHSA-N 275.373 3.780 30 20 CHED C=C(CN[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 675784551 YWACSXCEMSPUPV-HNNXBMFYSA-N 295.382 3.822 30 20 CHED C[C@@H]1CN(c2snc(Cl)c2C#N)Cc2ccccc21 916993992 PUFXBRPMQQUDTN-SECBINFHSA-N 289.791 3.792 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 597905317 XTSNYQDCCFHPBT-VVLHAWIVSA-N 288.435 3.745 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1nc(Cl)c(C#N)s1 841223241 HNELTWMMFAYHAA-RKDXNWHRSA-N 297.811 3.823 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@H]1CCN[C@@H](C)C1 841985063 JIVCMORCEOIJRH-HOTGVXAUSA-N 297.487 3.519 30 20 CHED CC(C)(F)CCN[C@@H]1CCCc2cc(C#N)ccc21 595086607 MCPHGFDGQFESOY-OAHLLOKOSA-N 260.356 3.663 30 20 CHED C[C@@H](NC(=O)CC1(C#N)CCCCC1)C1CCCCC1 597313076 RUZPEOXYABHOBW-CQSZACIVSA-N 276.424 3.936 30 20 CHED Cc1cc(C)c(C)c(OC(=O)c2sccc2C#N)c1 748053633 UUDGGPYWIAKROL-UHFFFAOYSA-N 271.341 3.764 30 20 CHED CC(=NN(C)[C@@H](C)CO)c1ccc(C2CCCCC2)cc1 842543985 DOSPTOHZEXMJCK-AWEZNQCLSA-N 288.435 3.771 30 20 CHED COc1cccc(F)c1C(C)=NNc1cccc(C#N)c1 741806852 RMZBMVKXNFOYIJ-UHFFFAOYSA-N 283.306 3.542 30 20 CHED C=CCCCC(=O)OCc1ccc(C(=O)OC(C)C)cc1 747078636 DVRVDNDPMSHKHD-UHFFFAOYSA-N 290.359 3.651 30 20 CHED C=CC(C)(C)CNC(=S)N[C@@H](CC)c1cccs1 840794066 CHBUMJUSGVCTKZ-NSHDSACASA-N 282.478 3.876 30 20 CHED Cc1ccccc1/C=C1\Cc2ccc(F)cc2C1=O 749004685 GHLBQLWGEMBLLY-RIYZIHGNSA-N 252.288 3.957 30 20 CHED COc1ccc(O)c(C(C)=NNc2cccc(Cl)c2)c1 916269562 YNSXZNOXYOECFZ-UHFFFAOYSA-N 290.750 3.890 30 20 CHED Cc1cc(Cl)cc([C@H](C)NCC(C)(C)CC#N)c1O 840788041 UWEISYXCVUNFRD-NSHDSACASA-N 280.799 3.945 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C/C=C\c2ccccc2)o1 745614059 YSKFIACFNFYXID-ROIPMTIQSA-N 294.358 3.856 30 20 CHED N#Cc1ccc(-c2ccc(OCCC3(O)CCC3)cc2)cc1 591124382 ZGPLBAWAOVNBPN-UHFFFAOYSA-N 293.366 3.909 30 20 CHED C#CC[C@H](NCc1cccc(CC)c1O)c1ccccc1 848899103 KTJBFMNZEUQRAV-SFHVURJKSA-N 279.383 3.809 30 20 CHED CCCCCCCC(=O)N1C[C@@H](C)OC2(CCC2)C1 843736813 PQCLKPLHEZXJBC-CQSZACIVSA-N 267.413 3.517 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 593457449 LPCATYDSVPKVJM-GFCCVEGCSA-N 299.399 3.915 30 20 CHED Cc1cccc2[nH]cc(Cc3noc(CCCCC#N)n3)c12 594538102 KQANJQSVAKVFLM-UHFFFAOYSA-N 294.358 3.687 30 20 CHED Cc1cccc(C2(C(=O)OCCCCC#N)CCC2)c1 914620690 DYQFDPVYVDWOMR-UHFFFAOYSA-N 271.360 3.654 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)NCCCCC#N 599343651 ZKSFXNNUHYNSRS-UHFFFAOYSA-N 282.343 3.679 30 20 CHED N#C[C@@H](COC(=O)/C=C/C1CCCC1)Cc1cccs1 842745962 IOIDWTWHHLXEGT-NPQIQWPPSA-N 289.400 3.720 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 595790195 UWVUCOSCNXYMKH-MOPGFXCFSA-N 298.430 3.648 30 20 CHED C#CCCCCCC(=O)O[C@H]1C[C@@H](C)C(=O)C(C)(C)C1 847937681 LZFNXKHDOJDDET-KGLIPLIRSA-N 278.392 3.507 30 20 CHED CCC(=NNc1ccc2c(=O)[nH]ccc2c1)[C@H]1CC1(C)C 841636150 HNPMCGJYOFBHBA-CQSZACIVSA-N 283.375 3.752 30 20 CHED CCCCCC[C@@H]1CCCC1=NN(C)C(=S)NC 841646469 HCQPKUJWOXXLLE-GFCCVEGCSA-N 269.458 3.549 30 20 CHED CCC(=NNc1nncc2ccccc12)[C@@H]1CC1(C)C 841604160 QIPGSOHQMVPLTP-ZDUSSCGKSA-N 268.364 3.854 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(-c2ccccc2)no1 926615031 MNNNZRIXXOWEKS-KCQAQPDRSA-N 281.359 3.684 30 20 CHED C=CCn1c(CCCC)nnc1N(CC1CC1)C1CCC1 685545940 JBTALZFZQAPOPH-UHFFFAOYSA-N 288.439 3.576 30 20 CHED CC[C@H](C)Oc1ccc(NC[C@H](O)CC(C)(C)C#N)cc1 857238304 LUQWCTCBOBNPBI-DZGCQCFKSA-N 290.407 3.577 30 20 CHED CCC(CC)CC(=O)O[C@@H](C)c1ccc(C#N)cc1 759471179 AUJYTQAQKMBHAW-LBPRGKRZSA-N 259.349 3.989 30 20 CHED C[C@H](Cc1ccccn1)N[C@H](CCC#N)c1ccccc1 925601743 OESRDWIOCFYGOB-CRAIPNDOSA-N 279.387 3.647 30 20 CHED Cc1ccc(F)c(CCN[C@@H](C)CC(C)(C)C#N)c1 926541102 KQZVMGLXSSMBDM-ZDUSSCGKSA-N 262.372 3.595 30 20 CHED CCN(Cc1ccccc1)c1ccc(CNCCC#N)cc1 920956839 VQIPMGNTXMERQF-UHFFFAOYSA-N 293.414 3.716 30 20 CHED C=CC(C)(C)CCOC(=O)c1c(C)noc1C(F)F 851299436 LRPCVQCEXDUGIZ-UHFFFAOYSA-N 273.279 3.680 30 20 CHED COc1cc(C(=O)O)ccc1NN=C(C)CCC(C)C 756900723 AZWWFVZLVCZSLQ-UHFFFAOYSA-N 278.352 3.617 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2O)cc1Cl 757475199 PUQYASYKXLFQGZ-VURMDHGXSA-N 288.730 3.950 30 20 CHED COc1cccc([C@@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851209161 CGHKREJNYUSQPA-QWHCGFSZSA-N 289.375 3.670 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1C 757467292 CWYSCHDDCFSLJV-FNORWQNLSA-N 268.312 3.611 30 20 CHED COc1ccc(NN=C(CC(C)C)c2ccccn2)cc1 750921293 FZPYTUBLJVRVSE-UHFFFAOYSA-N 283.375 3.953 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cccc(F)c1 920376879 XNCRSXKCDQZCFZ-UHFFFAOYSA-N 264.250 3.940 30 20 CHED CC(=NNc1cccc(F)c1)c1ccc2c(c1)CCC(=O)N2 920386078 PNCFPFZUEJEADR-UHFFFAOYSA-N 297.333 3.547 30 20 CHED COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)ccc1O 921263311 BFMKUSVKXKKVNP-ZSOIEALJSA-N 280.323 3.532 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)CCc1nccs1 851140665 ADIBSNVKNZOWEF-STQMWFEESA-N 279.405 3.754 30 20 CHED CC(C)n1ccnc1C=NOc1ccccc1C(F)(F)F 853325083 QVGOPZDRFLSHGU-UHFFFAOYSA-N 297.280 3.896 30 20 CHED C#C[C@H](CC)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 754393638 CKSZYJSTGLBBQH-VHSXEESVSA-N 284.186 3.625 30 20 CHED Cc1ccc(OC(=O)CC2(C#N)CCCCC2)cc1 850744155 PDDMJRYTMDUVEF-UHFFFAOYSA-N 257.333 3.765 30 20 CHED Oc1ccc(Cl)cc1/C=N\Cc1ccc2c(c1)CCO2 750949660 GZNBZUIXTWBVOS-ZDLGFXPLSA-N 287.746 3.600 30 20 CHED CCCCCCCNCc1cn(C)nc1-c1cccnc1 920175239 AJALNCCDTGDGNS-UHFFFAOYSA-N 286.423 3.542 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(Cl)nc(Cl)c2)C1 852319528 OGUORNQXEYJJRX-SNVBAGLBSA-N 284.190 3.514 30 20 CHED CCCCCCCNC(=O)NCCC[C@H]1CCCCO1 858113063 YPQQABKLOUHNFA-OAHLLOKOSA-N 284.444 3.605 30 20 CHED C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@H](C#N)C1 932156318 AUYTUUZFKKSCMS-VXGBXAGGSA-N 280.318 3.585 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(CC)s2)C1 855441069 UGXHBXGBACMUHD-LBPRGKRZSA-N 263.406 3.739 30 20 CHED COc1cc(C#N)ccc1OC(=O)c1cc(Cl)cs1 757836902 GBXSVSQNXPEMEU-UHFFFAOYSA-N 293.731 3.501 30 20 CHED C=C1CN(C(=O)Nc2ncc(-c3ccc(C)cc3C)s2)C1 931428214 RZBSCYVWKVXKFK-UHFFFAOYSA-N 299.399 3.831 30 20 CHED C[C@H](C=NNc1ccc(C(F)(F)F)nn1)c1ccccc1 754710017 GMAIJYWRDRUFPS-SNVBAGLBSA-N 294.280 3.697 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(Cl)cc(Cl)c1F 869699002 MUVUHRZEZNXLOL-SSDOTTSWSA-N 276.094 3.591 30 20 CHED CC(=NOCC(F)(F)F)c1cc2c(s1)CCCC2 764848151 ZVPTWLDQHWNWEL-UHFFFAOYSA-N 277.311 3.930 30 20 CHED CCON=Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl 767468292 DKSKGXMWHQPISX-UHFFFAOYSA-N 291.782 3.572 30 20 CHED Cc1cccc(F)c1NN=C1[C@H]2CCCO[C@H]2C1(C)C 769842135 YUFAVGSUMYQZLN-IAQYHMDHSA-N 276.355 3.737 30 20 CHED C#CCCCN1CCC(=Cc2cccc(OC)c2)CC1 766903206 AOZLLLXFGVVDLA-UHFFFAOYSA-N 269.388 3.588 30 20 CHED CCC[C@@H](C)c1noc(CCc2ccc(C#N)cc2)n1 761851795 PGTVISGUAOEGBX-GFCCVEGCSA-N 269.348 3.630 30 20 CHED C=CCN(C(=O)NCC1(CC)CCCCC1)C(C)C 763171267 NURSBLQZPROJRL-UHFFFAOYSA-N 266.429 3.953 30 20 CHED C=CCNC(=S)N1CCCC[C@@H]1c1ccc(F)cc1F 769788709 VQMZMUULIQXGGY-CQSZACIVSA-N 296.386 3.552 30 20 CHED Cc1ccc(C=NNc2ccccc2Br)cn1 764904527 BCAZWFXDBDWGEP-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C#CCCc1noc(/C=C\c2ccc(Cl)s2)n1 762005976 DXPXFLQCZFGKFN-VURMDHGXSA-N 264.737 3.521 30 20 CHED Cc1cncc(C(=O)/C=C\c2cc(C)ccc2F)c1 767365920 CFCNCWBOMZRTTP-XQRVVYSFSA-N 255.292 3.734 30 20 CHED C=CCCN1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 769946108 LYQNJTZWDISOHO-UHFFFAOYSA-N 296.455 3.532 30 20 CHED CC(C)C[C@H](NCc1ccc(C#N)cc1)c1ccccn1 765010358 IYSCUEZBAPNXTJ-SFHVURJKSA-N 279.387 3.830 30 20 CHED CC(=NNCCC(C)(C)C)c1ccc(C(C)(C)O)cc1 767394524 SDYTXEXDHRNRKP-UHFFFAOYSA-N 276.424 3.664 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NNc1cccc(F)n1 1117103276 WPQODAPNSHPPIB-SNVBAGLBSA-N 285.322 3.558 30 20 CHED CCC[C@@H](C=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 769569448 GLQAIOKRJYUVQB-AWEZNQCLSA-N 298.346 3.971 30 20 CHED FC(F)C1CC(=NNc2nc(C(F)(F)F)cs2)C1 766025376 QALZJPLADWHLDG-UHFFFAOYSA-N 285.241 3.605 30 20 CHED CCC[C@H](C)C(=O)OCc1ccccc1C(C)(C)C#N 768004711 HWWNUBGOYOEPRI-ZDUSSCGKSA-N 273.376 3.967 30 20 CHED Cc1ccccc1C=NNc1ccnc(Br)c1 769801403 BWVWCQVUKFCOQU-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C=CC(C)(C)CC(=O)Nc1ncc(-c2ccccn2)s1 879920743 DWIRYKWDLNPPOU-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C#CCCCN1CCC(C(=O)c2ccc(C)cc2C)CC1 766896167 XKTZJUBLCJVNKM-UHFFFAOYSA-N 283.415 3.612 30 20 CHED CCCOc1ccc(NCc2cccc(C#N)n2)c(C)c1 876848618 LMTXMXZLLGKTBX-UHFFFAOYSA-N 281.359 3.663 30 20 CHED Cc1cccc([C@@H](C)C(=O)OCc2ccc(CC#N)cc2)c1 776112757 ASEDAQLDPGZLNH-OAHLLOKOSA-N 293.366 3.908 30 20 CHED C#Cc1cccc(NC(=S)Nc2cc(C)cc(F)c2)c1 770478694 KLSMTTPPEZQFCV-UHFFFAOYSA-N 284.359 3.924 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1cccc2cc[nH]c12 771361757 KCHNKOBEMKHPDU-UHFFFAOYSA-N 293.297 3.516 30 20 CHED CC(C)n1cc2c(n1)[C@H](N[C@H]1CCC[C@H](C#N)C1)CCC2 774348023 IOKRBNBSULYKIR-CWRNSKLLSA-N 286.423 3.513 30 20 CHED CCC(=NOC1CCCC1)c1ccc(O)c(F)c1 774597725 WWKOKSBAHAKVFN-UHFFFAOYSA-N 251.301 3.605 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCC2)c1cscn1 1116476533 ZUDVZEIBFYEEQW-ALCCZGGFSA-N 255.342 3.528 30 20 CHED C#CCCCN[C@@H](C)c1ccc(OCc2cccnc2)cc1 774974606 VWJBIFGYFNZOAJ-INIZCTEOSA-N 294.398 3.725 30 20 CHED C=C(CC)COC(=O)C[C@H](C)c1ccc(OC)cc1 773533746 UCVXARMXXREWAO-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED CC1(C)/C(=C/c2cccc(C(=O)O)c2)C(=O)c2ccccc21 774127445 VLOQVEUXCKNKPW-LFIBNONCSA-N 292.334 3.942 30 20 CHED N#Cc1cc(Cl)ccc1CONC(=N)C1CCCCC1 774746195 BUOWFYPKYNXZTA-UHFFFAOYSA-N 291.782 3.790 30 20 CHED CCCCCCCC(=O)N[C@H]1CCO[C@H](C(C)C)C1 771808391 IXJIOOBXFXFZIX-GJZGRUSLSA-N 269.429 3.667 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CC[C@H]2SCCS[C@@H]12 773139204 SQOPRFJMRDNLLF-QNSTZXKLSA-N 271.495 3.556 30 20 CHED C#CCOc1ccccc1NC(=O)c1cc(C)sc1C 775939070 MBYVOPJCFABDLG-UHFFFAOYSA-N 285.368 3.629 30 20 CHED C[C@H](OC1CCCCC1)C(=O)N(CCC#N)CC(C)(C)C 1116069349 YEFWVCGYDRFNLF-AWEZNQCLSA-N 294.439 3.513 30 20 CHED Cc1ccc(COC(=O)CCc2ccc(C#N)cc2)c(C)c1 770124752 PRUQVAWCZJBYQC-UHFFFAOYSA-N 293.366 3.851 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCCC(C)(C)C#N 776388040 ZEVZBNMVBHMBHC-LBPRGKRZSA-N 251.370 3.686 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2cc(C#N)ccc2F)C1 1129520725 VDDHKEALCLYSFP-GFCCVEGCSA-N 275.323 3.823 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](CC=C)c1ccncc1 776044741 LNLRHWLOPUSQNO-ZBFHGGJFSA-N 287.407 3.743 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](F)Cc1ccccc1 777939597 GMGPWAMTQFYDSG-SFHVURJKSA-N 297.373 3.782 30 20 CHED Cc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)c(C)c1 1124224487 YFVKNBKZZRZJLC-INIZCTEOSA-N 278.355 3.939 30 20 CHED CC(=NNc1ccc(OC(F)F)cc1)c1ccc(F)cn1 770601185 FUJDOARWBKTENZ-UHFFFAOYSA-N 295.264 3.658 30 20 CHED Cc1ccnc(Cl)c1OCc1ccc(F)c(C#N)c1 779818400 WMOAVQOBXLSCKO-UHFFFAOYSA-N 276.698 3.633 30 20 CHED Cc1csc(C=NN[C@H](Cc2ccccc2)C(C)C)n1 777449219 UELZVPAEOOICRY-OAHLLOKOSA-N 287.432 3.642 30 20 CHED CC(=NOC[C@H]1CCOC1)c1cc2cc(C)c(C)cc2o1 788037302 TYKLEQJUHHBGSR-AWEZNQCLSA-N 287.359 3.827 30 20 CHED C=C(C)CCC(=O)N(C)[C@H]1CCCc2nc(C)sc21 1121035666 PIUUVONZAPEDSK-ZDUSSCGKSA-N 278.421 3.644 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccc(Cl)c(OC)c1 788472787 ZIBHEAZNDQKSEE-CYBMUJFWSA-N 282.771 3.706 30 20 CHED CC#CC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 788284342 YADRTBOBNZXJRA-SFHVURJKSA-N 277.367 3.500 30 20 CHED C#CCC1(C(=O)Oc2ccc3nccnc3c2)CCCCC1 788456694 VKLKDMFHMNLKCP-UHFFFAOYSA-N 294.354 3.509 30 20 CHED CC1(C(=O)OCc2ccc(C#N)cc2F)CCCCC1 781269980 YAHKXDOYZIQVPH-UHFFFAOYSA-N 275.323 3.711 30 20 CHED C=C1CCC(C(=O)NCCc2nc3c(C)cccc3o2)CC1 889297153 FULSJAIJRVGDJE-UHFFFAOYSA-N 298.386 3.541 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccc(C(F)F)cc1 782443471 LOEAQTCSUNMWET-MRXNPFEDSA-N 298.329 3.896 30 20 CHED C=CCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784482124 UVTSDAPFUPLAEJ-GFCCVEGCSA-N 255.283 3.681 30 20 CHED CCCC1CCC(C=NOC[C@@H]2CCOC2)CC1 788031660 XEVXXIPOYQGLMS-YMAMQOFZSA-N 253.386 3.632 30 20 CHED CCC[C@H]1CCCN1C(=O)Nc1cccc(CC#N)c1 1123422307 DBGWGTPVMDFZAW-HNNXBMFYSA-N 271.364 3.549 30 20 CHED Cc1ccc(-c2nc(COC(=O)CC(C)(C)C#N)co2)cc1 785078050 LICLDSDXTXDGIF-UHFFFAOYSA-N 298.342 3.633 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 782231406 VCCAOOCBZYYCBW-CABCVRRESA-N 289.350 3.802 30 20 CHED CC(C)(CC#N)CNc1nnc(-c2cccc(Cl)c2)o1 894160181 RZTVKUWTJJFUJX-UHFFFAOYSA-N 290.754 3.742 30 20 CHED C[C@H](C=Nn1ccccc1=O)c1ccc(C(F)(F)F)cc1 789038382 WFCFRWSGNCEXIU-LLVKDONJSA-N 294.276 3.505 30 20 CHED C#Cc1cncc(-c2noc([C@@H](C)SCCCC)n2)c1 896566260 BZSJGOXVLRPHQI-LLVKDONJSA-N 287.388 3.707 30 20 CHED CCC[C@@H](C(=O)OCCCC(C)(C)C#N)C(C)C 784447836 WQAGJAKVLAQEPI-CYBMUJFWSA-N 253.386 3.932 30 20 CHED C=CCC1(O)CCN(C(=O)CCCC[C@H](C)CC)CC1 899591032 PROOHMKAXXOLIT-OAHLLOKOSA-N 281.440 3.523 30 20 CHED C=CCCCCCOC(=O)c1ccnc(Cl)c1 782585333 ALNCVJYJCODKEI-UHFFFAOYSA-N 253.729 3.638 30 20 CHED C=C1CCC(C(=O)N[C@@H](C)CCCc2cccnc2)CC1 891516377 GMMJCMMRBPJOOC-HNNXBMFYSA-N 286.419 3.655 30 20 CHED CC(=NNc1nccn1C)c1ccc2c3c(cccc13)CC2 790305281 HTHFELZOCWMEQX-UHFFFAOYSA-N 290.370 3.508 30 20 CHED COCCCON=C(C)c1cccc2ccccc12 795042395 SBJSWQZNRUNZDL-UHFFFAOYSA-N 257.333 3.617 30 20 CHED CC(C)(C)[C@H]1CCCC(=NNc2cncnc2)CC1 794976395 JXOVTBYGORCDLM-LBPRGKRZSA-N 260.385 3.871 30 20 CHED CC(=NNc1ncccc1Cl)c1cc(C)c(C)o1 799875925 HELOPNQOFHIETD-UHFFFAOYSA-N 263.728 3.781 30 20 CHED Cc1nsc(N(C)C(=O)CC2CCCCCC2)c1C#N 891430400 DGQKHHOVOGXKJQ-UHFFFAOYSA-N 291.420 3.647 30 20 CHED CC[C@H](C)CC(=O)OCc1ccc(C#N)cc1Cl 791496020 AHZCEUNSPHMXNK-JTQLQIEISA-N 265.740 3.691 30 20 CHED Cc1cc(NN=CCC2CCCCCC2)nc(C)n1 799108886 NIIHLELAQKJLKO-UHFFFAOYSA-N 260.385 3.852 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@H](c2ccccc2)C1 798024553 SAGNQZLZOCILOF-QAQDUYKDSA-N 269.388 3.633 30 20 CHED N#CCSc1nc2cccc(Br)c2s1 794516987 NFVJPFMDZGWUBO-UHFFFAOYSA-N 285.191 3.674 30 20 CHED CC1(c2ccccc2)CC(=NNc2cccc(F)n2)C1 795007241 VWRHYHNPZHZDIU-UHFFFAOYSA-N 269.323 3.740 30 20 CHED CC(C)CCN1CCC(c2ccc(C#N)cc2)CC1 1201627313 UULDWUMVZILXMR-UHFFFAOYSA-N 256.393 3.784 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1ccc(Cl)cc1 796836836 RJWHOTWQAUPKNM-QMTHXVAHSA-N 265.740 3.884 30 20 CHED N#Cc1ccc(Cl)cc1NCc1cccc(O)c1 36954379 BVQHROJBBYLSKS-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C[C@@H]1CCc2c(F)cccc2C1=NNc1ncccc1F 794989468 IBIFJBQWZIQSEO-SNVBAGLBSA-N 287.313 3.758 30 20 CHED CC(=NOC(C)C)c1ccc(Br)cc1F 795245545 CWHCUUIKLSPTFL-UHFFFAOYSA-N 274.133 3.737 30 20 CHED Cc1cccnc1NN=Cc1ccc(OC(C)C)cc1 790193856 PUYSLJAEOLBCIN-UHFFFAOYSA-N 269.348 3.623 30 20 CHED C#C[C@@H](NC(=O)c1csc2cc(C)ccc12)C(C)C 799043984 JLJVJZNLANJADD-CQSZACIVSA-N 271.385 3.597 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C2CC=CC2)s1 797573363 RHLJXNVKMLOGQG-NSHDSACASA-N 274.389 3.583 30 20 CHED C=CCNN=Cc1cccc(OCc2ccc(F)cc2)c1 794993844 JMHPLMDTPMLVTJ-UHFFFAOYSA-N 284.334 3.514 30 20 CHED CCCc1nc(C)c(C/N=C/c2cc(Cl)ccc2O)o1 793665720 CUEAKYCMVYGRJO-CAOOACKPSA-N 292.766 3.914 30 20 CHED C#C[C@@H](NC(=O)N[C@H](C)c1oc2ccccc2c1C)C(C)C 798514645 UDLXJGDMBLWXRB-UKRRQHHQSA-N 298.386 3.759 30 20 CHED COCCN(C)N=C1CCC[C@@H]1c1ccc(Cl)cc1 794965996 HRYZXVHDOVBTCI-CQSZACIVSA-N 280.799 3.542 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C\c1ccc(F)c(C#N)c1 799898488 ZZQVXZDMKLPJPF-ZSOIEALJSA-N 292.313 3.807 30 20 CHED c1ccc([C@H]2CCCC2=NNc2nc3ccccc3[nH]2)nc1 794859938 KEBQKTPVRNNQIJ-GFCCVEGCSA-N 291.358 3.694 30 20 CHED C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)C1CCC1 1301018184 WNAOUAOOFHOJJE-JTQLQIEISA-N 282.819 3.533 30 20 CHED CCC1(CC)CN(c2nc(C)cc(C#N)n2)c2ccccc21 1307072705 ROGNEMOTTUYLJS-UHFFFAOYSA-N 292.386 3.866 30 20 CHED C[C@H](Nc1cncc(C#N)n1)c1csc2ccccc12 1164325579 LMSMQEHCJVZLLV-JTQLQIEISA-N 280.356 3.736 30 20 CHED CC[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)C1CCCC1 1311103897 LXTNOLDBAPXOGF-OAHLLOKOSA-N 289.354 3.788 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccc(Cl)cc1F 1473568227 IZBOMTPOPIMSAY-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CCC1(CC)CCN(CCCSCC#N)CC1 186546565 LYXZPDGOAKUWFD-UHFFFAOYSA-N 254.443 3.535 30 20 CHED C=CC(C)(C)C(=O)NCc1cnc(-c2ccccc2)s1 1324724160 YICRRAHOOBRJPL-UHFFFAOYSA-N 286.400 3.639 30 20 CHED N#Cc1cc(Cl)ccc1NCCCC(F)(F)F 97987344 MMBOWQUXVVPTBW-UHFFFAOYSA-N 262.662 3.966 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCc2c(OC)cccc21 551242216 YHRKJOWCDFIZFA-OAHLLOKOSA-N 259.393 3.874 30 20 CHED Cc1ccc(SCc2ccc(C#N)cn2)cc1C 580687860 HAUZIJLXLZXTCG-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CC(C)c1nc(CNc2ccc(C#N)cc2)cs1 106066479 YMOJISZVOZUDFF-UHFFFAOYSA-N 257.362 3.750 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2ccccc2OC)CCC1 1321642555 ONNBMRUUHVZDHT-AWEZNQCLSA-N 287.403 3.588 30 20 CHED CCc1nc(C#N)cc(N[C@@H](C)[C@H]2CCC[C@@H](C)C2)n1 1186713225 KEYWVJOCJOCNOP-AGIUHOORSA-N 272.396 3.537 30 20 CHED CC(C)(C)c1ccccc1C(=O)OCc1ccc(C#N)cn1 1255868275 SDCDHQRPQSJGAS-UHFFFAOYSA-N 294.354 3.608 30 20 CHED N#Cc1cc(=N[C@H](c2ccc(F)cc2)C2CCCC2)cc[nH]1 1185241304 IBXXCPPENZRHFC-SFHVURJKSA-N 295.361 3.858 30 20 CHED C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1cccnc1 1330282371 DLFSQKTZJDNJPR-CYBMUJFWSA-N 272.348 3.550 30 20 CHED CC(C)c1cnc(C=NNCc2ccc(F)cc2)s1 1261235903 MXOPFYJPSMDEAC-UHFFFAOYSA-N 277.368 3.529 30 20 CHED C=CCCO[C@@H](C)c1nnc(-c2ccc3ccccc3n2)o1 1341268086 XNSLSBHSCTZERS-LBPRGKRZSA-N 295.342 3.939 30 20 CHED CCCCCCCCc1nc([C@@H]2CN3CCC2CC3)no1 1342543206 BTPLPUQOFAFNGA-OAHLLOKOSA-N 291.439 3.782 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2ccsc2[nH]1 1353907328 XZIKFSDZOFFERZ-GFCCVEGCSA-N 274.389 3.800 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)c1ccn(C)c1)c1cccs1 1519364034 HJYXCZRPTUFMJB-SMDDNHRTSA-N 288.372 3.534 30 20 CHED C=CCOCCNC(C1CCCC1)C1CCCC1 815083686 XGSXUROQYOLDCG-UHFFFAOYSA-N 251.414 3.528 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2ccc(C#N)s2)C1 1529097206 YFMNXAPNMVGZJM-LLVKDONJSA-N 276.405 3.566 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1461917629 LFNAKYVOZRYQME-NSHDSACASA-N 296.374 3.589 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2F)cc(C)c1F 1535455609 PKJNXDHKZLAOAT-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CCCC(CCC)C(=O)Nc1cc(C#N)c(F)cc1F 1462285087 OJHQIQLTOZTVOU-UHFFFAOYSA-N 280.318 3.991 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2ccsc2C#N)C1 1460940030 OBAAGLKRADDFHC-NSHDSACASA-N 276.405 3.566 30 20 CHED CCc1ccc(CN(c2ccc(C#N)c(C)n2)C2CC2)cc1 1472656074 IQLYGWDOUNFFRE-UHFFFAOYSA-N 291.398 3.993 30 20 CHED CC1CCC(N(CCOc2ccccc2C#N)C2CC2)CC1 1559488484 JUPGMYOXIPNDOX-UHFFFAOYSA-N 298.430 3.980 30 20 CHED C[C@@H](CCC#N)CN(C)[C@H](C)Cc1cccs1 1621149345 JOKAZRSAXAOOLS-QWHCGFSZSA-N 250.411 3.551 30 20 CHED CCc1ccc2c(c1)CCN(Cc1ccc(F)c(C#N)c1)C2 1560238748 WQWNDFCIGCXZLA-UHFFFAOYSA-N 294.373 3.818 30 20 CHED Cc1ccc([C@@H]2CCCCN2Cc2cccc(C#N)n2)cc1 1560701838 SIULLGWHBBPITG-IBGZPJMESA-N 291.398 3.989 30 20 CHED CN(Cc1cccc(C#N)n1)[C@H]1CCC[C@H]1C(C)(C)C 1560893516 PKUPHXTUWWZHFW-CVEARBPZSA-N 271.408 3.600 30 20 CHED Cc1nc(C(C)C)ccc1CN1CCc2ccc(C#N)cc21 1642594883 XAHVEMSLCMTNFW-UHFFFAOYSA-N 291.398 3.948 30 20 CHED Cc1ccnc(NCC2(c3ccccc3)CCC2)c1C#N 1651339338 RMYBIACIPCMJCF-UHFFFAOYSA-N 277.371 3.796 30 20 CHED COc1cc(C#N)ccc1CN(C)c1cc(C)ccc1C 1652322419 XRTFWACXUBGFRH-UHFFFAOYSA-N 280.371 3.820 30 20 CHED C=CC[C@H]1CCCN(Cc2c(C(=O)O)[nH]c3ccccc23)C1 1588772666 LBNFFAYLVMVELF-ZDUSSCGKSA-N 298.386 3.654 30 20 CHED CCc1nc(Sc2ccc(C#N)c(C)n2)sc1C 1655644502 VOOGKZHGWDJUDR-UHFFFAOYSA-N 275.402 3.740 30 20 CHED Cc1cc(N[C@@H]2CCC(C)(C)C[C@H]2C)ncc1C#N 1655219713 NIYFNMZEYFEQEE-TZMCWYRMSA-N 257.381 3.888 30 20 CHED C=CCCCCCN(C)Cc1cc(C(=O)O)c(CC)o1 1588800068 YYEVPUDWNAVTLZ-UHFFFAOYSA-N 279.380 3.718 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@]1(C(=O)O)CC1(C)C 1589645354 YJDWPINFYAMKEM-DYVFJYSZSA-N 297.439 3.600 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)OCC1CCCCC1 1661423663 AMSPHTOPYHPGKM-UHFFFAOYSA-N 280.412 3.965 30 20 CHED CC1(C)CCCC[C@H]1NN=C1CCC(CC(=O)O)CC1 1593903741 KMHLDHPTMGUQAA-TYZXPVIJSA-N 280.412 3.566 30 20 CHED Cc1cc(C)cc(CCC(=O)O[C@H]2CCC[C@H](C#N)C2)c1 1596978890 QQYVFPOHUQBQKR-IRXDYDNUSA-N 285.387 3.862 30 20 CHED COc1ccc(NC(=O)N[C@H](C)CC(C)(C)C)cc1C#N 1674303877 WHQWEXYVONTVHR-LLVKDONJSA-N 289.379 3.513 30 20 CHED C[C@@H](ON=Cc1cc(C(=O)O)cs1)c1ccccc1 1776082934 CDGICEPCEYRMJC-SNVBAGLBSA-N 275.329 3.558 30 20 CHED C=CCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 161536111 KTALJUZSRWAIKN-GHMZBOCLSA-N 284.186 3.741 30 20 CHED N#Cc1c(Br)cccc1N[C@@H]1CCCSC1 165015793 FSEBWWAMNCUUDC-SECBINFHSA-N 297.221 3.628 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(C#N)c1 151381448 LRTPSFRRFKRTPM-CYBMUJFWSA-N 295.342 3.626 30 20 CHED C[C@]1(CNc2ccc(C#N)cc2C(F)(F)F)CCCO1 152552492 ZIUHGWAFALTNFI-CYBMUJFWSA-N 284.281 3.558 30 20 CHED N#CCC[C@@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 153374767 ZXRYLCQFGNCWCW-QGZVFWFLSA-N 296.345 3.529 30 20 CHED CC(C)(CCC#N)CNc1ccn(-c2ccccc2)n1 157180274 RHRNKAKLUXKVIH-UHFFFAOYSA-N 268.364 3.614 30 20 CHED N#Cc1ccc(NC(=O)NCC2(C3CC3)CC2)cc1Cl 154834690 DITPZLVBBIPRQX-UHFFFAOYSA-N 289.766 3.523 30 20 CHED C#CCCCCNC(=O)N1CCc2sccc2[C@@H]1CC 154918117 HRIUBZODKMUWSW-AWEZNQCLSA-N 290.432 3.570 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(C#N)cc1 806104541 QIVHQMFJIXOSSC-UHFFFAOYSA-N 271.364 3.816 30 20 CHED CC(C)CN(Cc1ccccc1)Cc1cccc(C#N)n1 1232921695 CRSAQQZMIUFBCH-UHFFFAOYSA-N 279.387 3.611 30 20 CHED N#Cc1ccc(NC(=O)N2CCCCCC2)c(Cl)c1 225800281 IVWFQBHWZVMSFW-UHFFFAOYSA-N 277.755 3.620 30 20 CHED CCCC[C@@H](CCC)Nc1ncc([N+](=O)[O-])cc1C#N 226261447 WZFLOACXFZCIBI-GFCCVEGCSA-N 276.340 3.632 30 20 CHED CC(C)(C#N)CCCCOc1ccc([N+](=O)[O-])cc1F 232521106 FJDGIBCRENVNCU-UHFFFAOYSA-N 280.299 3.833 30 20 CHED CCc1nnc(Oc2cccc(Cl)c2)c(C#N)c1CC 125025490 OYAALLXODVVUDW-UHFFFAOYSA-N 287.750 3.919 30 20 CHED N#Cc1ccnc(N[C@H]2CCc3ccccc3C2)c1Cl 236052055 YNUGMIVMADIJIS-AWEZNQCLSA-N 283.762 3.576 30 20 CHED CS[C@@H]1CCCCN(c2c(F)cc(C#N)cc2F)C1 154653428 HBCDDJUFEYMZBK-LLVKDONJSA-N 282.359 3.558 30 20 CHED COc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 37215550 SZUUQPCYDLAHMK-GFCCVEGCSA-N 252.317 3.740 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1noc(C(C)C)n1 279239121 FUKGZMCHGQLPLT-UHFFFAOYSA-N 285.391 3.771 30 20 CHED C[C@@H](CNc1ccc(F)cc1C#N)Oc1ccccc1 301397410 NRJMYUVKGZWURK-LBPRGKRZSA-N 270.307 3.577 30 20 CHED N#Cc1ccc([C@@H](O)CSCc2ccccc2)cc1 305077775 SHWZOHPJUJDMPB-INIZCTEOSA-N 269.369 3.525 30 20 CHED CC[C@H](CNc1cc(C)nc(C#N)c1)CC(F)(F)F 402676940 QABGYMNQPVNOEA-JTQLQIEISA-N 271.286 3.652 30 20 CHED N#CC1(CSc2cccc([N+](=O)[O-])c2)CCCC1 405160664 OLAXDZICAQESDX-UHFFFAOYSA-N 262.334 3.771 30 20 CHED C=CCCCCCCNC(=O)NCc1ccccc1 309746630 UQNQVNCCNLUUCB-UHFFFAOYSA-N 260.381 3.622 30 20 CHED CCC[C@@H](NCc1ccc(F)c(C#N)c1)C1CCC1 324689094 QCZXAXHFPNGAMX-MRXNPFEDSA-N 260.356 3.756 30 20 CHED CC(C)c1cnc(COc2cc(Cl)cc(C#N)c2)o1 700823163 KLBOGDKLCLFPSF-UHFFFAOYSA-N 276.723 3.902 30 20 CHED C=CCCCCN[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 471584532 HKJIZGRHUDLTHJ-SLFFLAALSA-N 298.474 3.843 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 361861099 VETFJCCRIYYOQT-NSHDSACASA-N 272.298 3.687 30 20 CHED N#CC1(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 691525134 HQRVQUCPBRFORF-UHFFFAOYSA-N 287.102 3.584 30 20 CHED C=CCC(C)(C)CN[C@H](C)Cc1ccccc1OC 381677160 AMEUMQSDCWCFQM-CQSZACIVSA-N 261.409 3.818 30 20 CHED N#Cc1ccc(NCc2nc3c(s2)CCC3)cc1Cl 719541116 UTMUBQAJLLTPGU-UHFFFAOYSA-N 289.791 3.769 30 20 CHED C=CCN(Cc1ccccc1)C[C@H]1CC1(Cl)Cl 914595792 KICHRZWEJVONFT-CYBMUJFWSA-N 270.203 3.868 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 398132731 LLQGEIVYYJZJSI-JTQLQIEISA-N 296.754 3.723 30 20 CHED N#CCOc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1 8321702 YEDKBAVFMQZDAP-CMDGGOBGSA-N 299.276 3.763 30 20 CHED CCc1ccc(OCc2ccc(C#N)cc2F)cc1 19804855 CPLOHNDNDIGNKA-UHFFFAOYSA-N 255.292 3.839 30 20 CHED COc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1OC 19908628 ZLNDKXXKMAXDAC-GFCCVEGCSA-N 282.343 3.749 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2cccc(C)c2)cc1 23164383 AJNFTJGSOHBOAA-DHZHZOJOSA-N 280.323 3.678 30 20 CHED C=CCOc1ccc(CNCc2cccc(OC)c2)cc1 37486653 WCJSVAQVZUJHHC-UHFFFAOYSA-N 283.371 3.550 30 20 CHED C[C@@H](Nc1nc2ccccc2[nH]1)c1ccc(C#N)cc1 37756997 HLIMBLWLRNBEJT-LLVKDONJSA-N 262.316 3.608 30 20 CHED C=CCN(CC=C)CC(=O)Nc1c(C)cccc1C(C)C 46438278 AJUJJTYSIUBGAV-UHFFFAOYSA-N 286.419 3.731 30 20 CHED CCC1CCC(NCc2cc(C#N)ccc2F)CC1 49120804 WGDNBGQMVNMKJP-UHFFFAOYSA-N 260.356 3.756 30 20 CHED CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 51637606 XJPWGAIGGCDVJT-UHFFFAOYSA-N 282.318 3.614 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1F 52039425 FNKFANZPMIBELF-UHFFFAOYSA-N 298.361 3.728 30 20 CHED N#Cc1ccccc1OCCN1CCC[C@@H]1c1ccccc1 60466772 GSPMSVHKOUDQSH-GOSISDBHSA-N 292.382 3.774 30 20 CHED CC(C)(C)CC(C)(C)NCCOc1ccccc1C#N 60478166 FVHQAAVEPRFJOO-UHFFFAOYSA-N 274.408 3.741 30 20 CHED N#Cc1ccc(NC[C@@H]2Cc3ccccc3O2)c(Cl)c1 62790982 WSUMSSVCTFMBCW-ZDUSSCGKSA-N 284.746 3.627 30 20 CHED CCN(Cc1csc(-c2ccc(C)o2)n1)C[C@H](C)C#N 66425090 MCRDJBOKZGFSKE-LLVKDONJSA-N 289.404 3.693 30 20 CHED C=C(C)COc1cccc(NC(=O)CCc2ccncc2)c1 67190297 UGPOSIBQVYZJNR-UHFFFAOYSA-N 296.370 3.608 30 20 CHED C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1 67346236 DDCJRJJHVBYOND-SNVBAGLBSA-N 257.724 3.780 30 20 CHED C=C(Br)CNC(=O)[C@@H](CCC)c1ccccc1 68952684 WXDORXMWNCYBNA-ZDUSSCGKSA-N 296.208 3.595 30 20 CHED CCC(C)(C)CC(=O)N[C@@H](C#N)c1ccccc1Cl 73094446 WAOWEZXHGDLRCH-ZDUSSCGKSA-N 278.783 3.847 30 20 CHED N#Cc1cc(NC(=O)c2cc3c(F)cccc3[nH]2)ccc1F 76881150 KBTTWGPPGKUAAY-UHFFFAOYSA-N 297.264 3.570 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCC[C@@H]1SCC 79135906 VMEQMMSGICYKED-KGLIPLIRSA-N 284.469 3.658 30 20 CHED C=CCOCCCC(=O)N[C@H](CCC)c1ccccc1 79412593 JGWYWGAEQHSSST-MRXNPFEDSA-N 275.392 3.627 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1cccc(-c2csc(C)n2)c1 79861666 DCJMXIGDPDIUQB-INIZCTEOSA-N 299.399 3.541 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1ccc(F)cc1Cl 80377072 JSDNYPFBSDVCGI-LLVKDONJSA-N 299.773 3.639 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(CC#N)c1 81180064 NLWKSBHBCMENHO-RHSMWYFYSA-N 284.403 3.793 30 20 CHED C[C@@H](Cc1ccsc1)N(C)Cc1ccc(C#N)cc1 81599752 QVILPCRBJOGKMC-ZDUSSCGKSA-N 270.401 3.683 30 20 CHED C#CCOc1ccccc1CNCC(C)(C)c1cccs1 83601780 PGKDFRIXMFHSPY-UHFFFAOYSA-N 299.439 3.828 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2cc(C#N)cs2)C1 84190570 ZOYBYRJKDIYTSO-HNNXBMFYSA-N 276.405 3.662 30 20 CHED N#CCC1(COc2ccc(Br)c(F)c2)CC1 88255548 RQRNELIOKLBYSQ-UHFFFAOYSA-N 284.128 3.661 30 20 CHED N#Cc1cccc(CNCC2(c3ccc(F)cc3F)CC2)c1 90227176 LRHVMOCGQHYHTI-UHFFFAOYSA-N 298.336 3.658 30 20 CHED Cc1ncc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)s1 90418504 SWGZEARQLFRUMS-WDEREUQCSA-N 271.389 3.735 30 20 CHED CCN(CC#N)Cc1cc(C(F)(F)F)ccc1Cl 92398775 IFJLFFUXQRBQTI-UHFFFAOYSA-N 276.689 3.704 30 20 CHED N#CCCN(Cc1cnc(C2CCCC2)s1)CC1CC1 93091321 BOWHTPVMLQMLMB-UHFFFAOYSA-N 289.448 3.926 30 20 CHED C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1 94423270 BCYKONGKMRGDTL-SWLSCSKDSA-N 272.392 3.555 30 20 CHED CC(=O)Nc1cccc(CSCc2ccc(C#N)cc2)c1 101586425 AGKUMKLTTMVAPU-UHFFFAOYSA-N 296.395 3.950 30 20 CHED CC(C)(C)CCCC(=O)Nc1ccc(CC#N)cc1 103361357 WFNMSGZKYHYXIU-UHFFFAOYSA-N 258.365 3.908 30 20 CHED CCCCCCCC(=O)Nc1ccnn1C(C)C 104984093 JHKNOTCXBAWSFO-UHFFFAOYSA-N 251.374 3.763 30 20 CHED COCCc1ccc(Oc2cccc(F)c2C#N)cc1 112011634 QTBNYRXQGVEIBB-UHFFFAOYSA-N 271.291 3.679 30 20 CHED CC[C@H](Cc1ccccc1)Nc1cccc(C#N)c1 116381859 LBPNKJORCLSMKN-MRXNPFEDSA-N 250.345 3.991 30 20 CHED C[C@H](N[C@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)cc1 118443389 SIYVRLCWNBLQMV-WMLDXEAASA-N 287.451 3.575 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(O[C@H](C)C#N)cc1 119023026 UVTWIKOKFWDKCG-OQHXTRMZSA-N 281.311 3.775 30 20 CHED C=CCC[C@@H](NCc1cccc(OC)c1OC)C1CC1 120325551 BWGNVBPTTYHAQH-OAHLLOKOSA-N 275.392 3.538 30 20 CHED Cc1ccc([N+](=O)[O-])c(Nc2ccc(C(C)(C)C#N)cc2)n1 121058786 KKEJYCCOCOMQBZ-UHFFFAOYSA-N 296.330 3.843 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C)cn1 123185341 ILISCCOBHSEEHP-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCC(C)(C)C#N 131652090 CCLYSGISJZDVAS-DZGCQCFKSA-N 274.383 3.943 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC(C(=O)c2ccccc2)CC1 134900969 YLJFQVPNJYSSBI-IBGZPJMESA-N 299.414 3.710 30 20 CHED C#CCCCCNC(=O)Nc1ccc(CCC)cc1 151004675 PRVSSWTVGMBJMR-UHFFFAOYSA-N 258.365 3.564 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H](c2ccccc2)C2CC2)c1 152362041 XRPOAAXKHMDOTE-IBGZPJMESA-N 289.378 3.825 30 20 CHED Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]2CCCC[C@H]21 152704681 DOHINWAUVMSDTJ-NVXWUHKLSA-N 282.387 3.662 30 20 CHED CC(=O)Nc1cc(NCCCC(C)(C)C#N)ccc1C 153319161 ALZPPUXQGLSYDU-UHFFFAOYSA-N 273.380 3.695 30 20 CHED C=C(C)CNC(=O)C1c2ccccc2Oc2ccccc21 154368810 MJMKORBBBPSSIR-UHFFFAOYSA-N 279.339 3.617 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 157363841 YESSBFKYYQQBJZ-LBPRGKRZSA-N 289.404 3.588 30 20 CHED C=CCN(Cc1ccccc1F)Cc1cnc2ccccn12 157761384 HQBMWOGSXHLEES-UHFFFAOYSA-N 295.361 3.662 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 159322998 MJLNLQDRXZOIQK-UHFFFAOYSA-N 296.273 3.580 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 160140864 REPQHGNNFBFBMF-KGLIPLIRSA-N 288.391 3.761 30 20 CHED C=CCCNC(=O)CCSc1ccccc1Cl 162184250 YYMVDJDMVMBBKL-UHFFFAOYSA-N 269.797 3.515 30 20 CHED CC[C@@H](C)[C@@H](C)NCc1ccc(C#N)cc1Cl 162647627 CRTRIVBCQGQWMP-GHMZBOCLSA-N 250.773 3.736 30 20 CHED N#CCCCCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 170968039 KPXKZXLEARUIPC-ROUUACIJSA-N 292.382 3.753 30 20 CHED CC[C@H](OC(=O)Cc1ccc(C#N)cc1)c1ccccc1 172182208 WSJWKJNEMXSFFO-KRWDZBQOSA-N 279.339 3.795 30 20 CHED C=CCOCCCC(=O)Nc1ccc(C(C)C)cc1 173035465 CNUKPFUYBOCPIN-UHFFFAOYSA-N 261.365 3.731 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1ccc2ccccc2c1 176784270 GJWSYHIBABXQCH-OAHLLOKOSA-N 253.301 3.545 30 20 CHED C=C(C)CSCC(=O)Nc1c(C)cc(C)cc1C 177869053 QINNIBYDSQDSTH-UHFFFAOYSA-N 263.406 3.860 30 20 CHED CCCn1nc(C)c(/C=C2\Cc3cc(F)ccc3C2=O)c1C 178030691 NYRYGSGSWIUXKV-GXDHUFHOSA-N 298.361 3.871 30 20 CHED C[C@H](SCCCc1cn[nH]c1)c1ccc(C#N)cc1 179834162 WKHHCCUBUYEZIW-LBPRGKRZSA-N 271.389 3.708 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(C)c(F)c2)cc1 180452087 YVEWUNSWBXLCHX-BJMVGYQFSA-N 297.329 3.989 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 180469715 TYPSJDFPGSUDPE-CHWSQXEVSA-N 297.320 3.843 30 20 CHED C=C(C)CN(C)Cc1ccc(CSC(F)F)o1 181043969 KGJJHADDLZUDRH-UHFFFAOYSA-N 261.337 3.743 30 20 CHED C=C(C)CN(C)C(=O)NCC1(Sc2ccccc2)CC1 182821704 PAMYKSJDZNWHHI-UHFFFAOYSA-N 290.432 3.529 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H](C)c1nc(C)cs1 183851997 LMYPSGNHYQGMOG-NEPJUHHUSA-N 295.452 3.599 30 20 CHED CC(=O)c1sccc1OCc1cn2ccccc2c1C#N 184526640 ZLLYRVHZIMMHPY-UHFFFAOYSA-N 296.351 3.654 30 20 CHED C#CCC(C)(C)C(=O)Oc1cccc(C(F)(F)F)c1 184877829 LNQWHFGRTYEFOS-UHFFFAOYSA-N 270.250 3.660 30 20 CHED CC#CCCCC(=O)NCc1ccc2cc(OC)ccc2c1 184986096 VOZCXOHYKTWWMA-UHFFFAOYSA-N 295.382 3.658 30 20 CHED Cc1cc(C#N)ccc1COc1ccc2ncccc2c1 185994259 LGWCXVKSQMXVSL-UHFFFAOYSA-N 274.323 3.994 30 20 CHED C=C(C)[C@H](NC(=O)C1CC=CC1)c1ccc(F)c(F)c1 186076227 RNGSWNLNBLSCPU-HNNXBMFYSA-N 277.314 3.664 30 20 CHED C=C(C)[C@H](N[C@@H](C)c1cnn(C)c1)c1ccc(F)c(F)c1 186453964 CSEPVNKUSZZHIT-ZBEGNZNMSA-N 291.345 3.666 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)cc1 187522813 NFRQANCVTVVNQK-UHFFFAOYSA-N 258.365 3.540 30 20 CHED N#CCOc1ccccc1C(=O)O[C@@H]1CC[C@@H]2CCC[C@@H]2C1 187700905 CFVWEUZPPVWUFM-RRFJBIMHSA-N 299.370 3.715 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1cc(Cl)ccc1OC 187748214 XSPYDKSKOCAMKR-OAHLLOKOSA-N 297.782 3.516 30 20 CHED C=CCC[C@H](Nc1ccc(OC2COC2)cc1)C1CC1 188649724 CCQBIKYSYMXVQD-KRWDZBQOSA-N 273.376 3.621 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCc1ccccc1 189772699 TYHUTZISNMDNDS-YOEHRIQHSA-N 259.393 3.726 30 20 CHED C[C@@H](Sc1ncccc1[N+](=O)[O-])c1cccc(C#N)c1 189838506 CXOFFKGQKNGJTO-SNVBAGLBSA-N 285.328 3.715 30 20 CHED CCN(CC)CCS[C@H](C)c1cccc(C#N)c1 189851006 UTGJBCUXXLAIPH-CYBMUJFWSA-N 262.422 3.694 30 20 CHED Cn1cc(CNc2cccc(C(C)(F)F)c2)cc1C#N 191619895 OGRUGKNOVXGMMH-UHFFFAOYSA-N 275.302 3.621 30 20 CHED CCC(C)(C)CNC1CCN(Cc2ccc(C#N)cc2)CC1 191826928 XMGHPOKPVFCAAN-UHFFFAOYSA-N 299.462 3.548 30 20 CHED C#CCCCC(=O)N1CCc2cc(-c3ccccc3)oc2C1 192144689 QHOYJMZOYDGCLL-UHFFFAOYSA-N 293.366 3.635 30 20 CHED N#C[C@H](C(=O)/C=C/Sc1ccccc1)c1ccccn1 193388105 XAMJAAMOHDTVIC-MARXPDLDSA-N 280.352 3.564 30 20 CHED C=CCCCCCN1CCC(O)(c2ccccc2)CC1 193558691 RKEHEDUXYGSALJ-UHFFFAOYSA-N 273.420 3.716 30 20 CHED N#Cc1cccc(NC(=O)Nc2ccc3ncsc3c2)c1 193730399 WHLKIWCXWOKKEP-UHFFFAOYSA-N 294.339 3.812 30 20 CHED CCOc1ccc(C(=O)/C=C\c2ccc(OC)cc2)cc1 204449234 TVLSWWNGJQOGJQ-MLPAPPSSSA-N 282.339 3.990 30 20 CHED C#CCSCCN[C@H](C)c1cc2c(s1)CCCC2 222117404 SGXNRKKEEGDBTM-GFCCVEGCSA-N 279.474 3.644 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 235318006 RAHJDEQNKURANF-UFBFGSQYSA-N 252.770 3.518 30 20 CHED CCCCCCC[C@H](C)CNCc1cncn1C 236641874 VGHWQHNKTCPFJY-AWEZNQCLSA-N 251.418 3.506 30 20 CHED C[C@@H](Nc1cccc(F)c1C#N)[C@H]1C[C@H]2CC[C@H]1C2 251458534 CMIBBLBKTLHAMH-MROQNXINSA-N 258.340 3.934 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1C#N 255049529 YBUOZBCODFAVGL-WAPJZHGLSA-N 281.286 3.602 30 20 CHED CC(C)OCCC/N=C\c1cc(Cl)cc(Cl)c1O 255178884 WQSHJUUNKMRORV-PXNMLYILSA-N 290.190 3.933 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)O[C@H](C#N)C(C)C 255416232 KYDJPBOEIASQOU-SMJHDNPOSA-N 277.751 3.835 30 20 CHED Oc1ccccc1/C=N\C[C@@H](c1ccccc1)N1CCCC1 255421806 QOAOEKSIJGAKOM-HJHGFDQJSA-N 294.398 3.648 30 20 CHED C=CCCC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 263720361 YDJFUXSCMVFDID-JTQLQIEISA-N 271.282 3.849 30 20 CHED N#CCCN(CC1CC1)C(=O)/C=C/c1ccc(Cl)s1 264132849 YZRFAPWWSSEIJN-FNORWQNLSA-N 294.807 3.567 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1cc(C)ccc1OC 267125624 UTOXPDYIMAIMHK-ZDUSSCGKSA-N 261.365 3.537 30 20 CHED C#CCOc1ccccc1CN[C@H](C)c1cccc(OC)c1 267212014 HMETZLHTXWKLLW-OAHLLOKOSA-N 295.382 3.558 30 20 CHED Cc1cccc([C@H]2CCCN2c2cccc(C#N)n2)c1 267239691 RLNXDYBVMYUDNG-MRXNPFEDSA-N 263.344 3.603 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(C)sc1Br 268469680 HEHLVHDZAHYIAV-ZETCQYMHSA-N 288.210 3.513 30 20 CHED Fc1cccc(F)c1-c1nc(CON=C2CCC2)co1 269834945 MENQTOCSUIIZRN-UHFFFAOYSA-N 278.258 3.676 30 20 CHED C=CCN(C(=O)c1sc(C)nc1-c1ccccc1)C1CC1 273290171 PQDIRSRGFMINHU-UHFFFAOYSA-N 298.411 3.909 30 20 CHED CN(C)C(=O)c1cccc(CSCCC(C)(C)C#N)c1 276626284 PDTHTOKEJLYFID-UHFFFAOYSA-N 290.432 3.561 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1cccc(C)c1C 278179133 CPGMBQIHSGYQPE-UHFFFAOYSA-N 258.365 3.596 30 20 CHED CC(=O)OCCCSCc1ccccc1C(C)(C)C#N 278570157 DMAAYSHAVGXAKJ-UHFFFAOYSA-N 291.416 3.674 30 20 CHED CC[C@@H](NC1CCN(C(C)(C)C)CC1)c1ccc(C#N)cc1 278852032 VQRODPJVHFEVKJ-GOSISDBHSA-N 299.462 3.862 30 20 CHED N#CCCCNc1nc2cc(Cl)cc(Cl)c2o1 278899029 QQDJLGWLTJXGSA-UHFFFAOYSA-N 270.119 3.850 30 20 CHED C#CCCN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 284830894 BFYAGNWYMFKERI-QGZVFWFLSA-N 279.387 3.627 30 20 CHED C=CCC1(c2nc(-c3ccncc3CC)no2)CCC1 289015720 KPRZGTKZUBOCOD-UHFFFAOYSA-N 269.348 3.692 30 20 CHED C=C(C)CCc1noc([C@@H]2CCC(=O)c3ccccc32)n1 289077306 JJVVLGJPJQXEPP-CQSZACIVSA-N 282.343 3.687 30 20 CHED C=C(C)CCc1noc(-c2nc(C(C)C)oc2C)n1 289113241 MDMLMHFJMLPKMF-UHFFFAOYSA-N 261.325 3.665 30 20 CHED C#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 289270479 NLQJZLFIFIIYTQ-PMACEKPBSA-N 291.394 3.678 30 20 CHED CO[C@@](C)(C/N=C/c1c(O)ccc2ccccc12)C1CC1 290886556 CLASQTNHEZKACV-PYJSORCASA-N 283.371 3.779 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N([C@H]3CC[C@H](C#N)C3)C2)cc1 293951023 BTDDDMRJEDGFDQ-ONIAQPFYSA-N 268.404 3.865 30 20 CHED CC[C@@H](C#N)NC(=O)c1c(Cl)cc(Cl)cc1Cl 294526830 LEWQXAOSCOFATO-ZETCQYMHSA-N 291.565 3.679 30 20 CHED Cc1nsc(NC[C@@H]2CCCCC2(F)F)c1C#N 295068777 ZVUZLPKNINMEOY-VIFPVBQESA-N 271.336 3.561 30 20 CHED C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)[C@@H](C)c1ccccc1 295138709 IVGKQAITYCPIQW-ZRGWGRIASA-N 296.414 3.769 30 20 CHED CCOCCC1(CNc2ccc(C#N)cc2F)CCC1 301730157 XCESHFFISSLUPW-UHFFFAOYSA-N 276.355 3.706 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1ccc(F)c(C#N)c1 303513839 CVCFIVYBJBRSIL-LLVKDONJSA-N 274.339 3.852 30 20 CHED CCc1cccc(N/C(N)=N/C[C@H](C)c2ccccc2)c1 303782186 MVCXVAHWJFSWSH-AWEZNQCLSA-N 281.403 3.779 30 20 CHED C[C@H]1SCC[C@@H]1Nc1cccc(Cl)c1C#N 309842286 QIYFMHYKGFNFMY-KCJUWKMLSA-N 252.770 3.518 30 20 CHED CCCCCCCNCc1ccc(Br)cn1 310025186 OXBVZDCZYMPKHU-UHFFFAOYSA-N 285.229 3.904 30 20 CHED Cc1ccc(CC(=O)Nc2cccc(CC#N)c2)cc1C 313442895 KDFFLJKZDPYHFU-UHFFFAOYSA-N 278.355 3.551 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 315878530 ZRCFPPOKTWFOID-KRWDZBQOSA-N 298.430 3.776 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/CCC2=CCCCCC2)CC(O)=N1 329852263 UPDSUFMGYZXFHI-OCCSQVGLSA-N 278.396 3.979 30 20 CHED C[C@@]1(/N=C(/O)CCc2ccc3ccccc3n2)CCCOC1 330181881 ONNOPZYGDPNLJF-GOSISDBHSA-N 298.386 3.693 30 20 CHED CCCC1(C(O)=Nc2nc3cccnc3[nH]2)CCC1 330229650 QEUKGQWYJACESQ-UHFFFAOYSA-N 258.325 3.516 30 20 CHED CC[C@H](N/C(O)=N/[C@@H]1CCO[C@H](C)C1)c1ccc(C)cc1 330604689 LSAVFAIDIOQWAE-BMFZPTHFSA-N 290.407 3.517 30 20 CHED CCC1(CC)CCC(N/C(O)=N/Cc2cc(C)no2)CC1 330990963 ASXTZMUNOGHOSQ-UHFFFAOYSA-N 293.411 3.736 30 20 CHED CCC(C)(C)CC(=O)Nc1cc(C)c(N(C)C)cc1C#N 331250685 ZOFOGLPHTONFBU-UHFFFAOYSA-N 287.407 3.698 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1ccccc1Cl 334382534 GNJDHQOAXHDQLG-UHFFFAOYSA-N 284.746 3.878 30 20 CHED CN(C(=O)c1cnccc1C#N)C1CCC(C(C)(C)C)CC1 335134399 ZLKDNSZOETYDPR-UHFFFAOYSA-N 299.418 3.630 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC(C3CCCC3)C2)cc1 336432596 AZDKHLBOYORJTL-UHFFFAOYSA-N 296.414 3.750 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@](C)(CC)C1 338861641 RQBBVTHOTNAIQU-QGZVFWFLSA-N 288.439 3.748 30 20 CHED CSc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 339157248 YXXKEUZQNACCPN-OUCADQQQSA-N 260.406 3.751 30 20 CHED Cc1nsc(NCC2(c3ccccc3)CCC2)c1C#N 339971591 CMHXSIKBHZLKEG-UHFFFAOYSA-N 283.400 3.857 30 20 CHED C=CCN(C(=O)c1ccc(-c2cccs2)nc1C)C1CC1 342419897 WUSJUWCZAVTZCT-UHFFFAOYSA-N 298.411 3.909 30 20 CHED C=C(C)CN=c1[nH]c(-c2ccc(C(F)(F)F)cn2)cs1 342898785 CDMDZZDGRCVDDX-UHFFFAOYSA-N 299.321 3.634 30 20 CHED CCOc1cccc([C@H]2C[C@H]2Nc2cc(C#N)cc(C)n2)c1 342915663 FSVRJEWVUKRVLI-IAGOWNOFSA-N 293.370 3.628 30 20 CHED Cc1ccnc(NCCc2nc3ccccc3s2)c1C#N 343509091 JBIABGMBXRZICG-UHFFFAOYSA-N 294.383 3.526 30 20 CHED N#Cc1ccc(SCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 344715135 OOSPGHMGOBCSLZ-YDHLFZDLSA-N 271.385 3.656 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc(C#N)c2)CCCC1(C)C 347441959 LVOAGFGYPHVVMS-MRXNPFEDSA-N 282.387 3.765 30 20 CHED CN(Cc1cscn1)c1ccc(C#N)cc1C(F)(F)F 348172328 FNJGXTVAVBNTIX-UHFFFAOYSA-N 297.305 3.670 30 20 CHED C=C(C)CCc1noc(-c2cc3ccccc3[nH]2)n1 351621780 FBWBCHJKTRCALF-UHFFFAOYSA-N 253.305 3.727 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N(C)[C@@H](C)CC#N)c1 352576513 JBOXDTMDWKWGPL-GJZGRUSLSA-N 286.419 3.749 30 20 CHED Cc1cc(CNc2ccc(C#N)nc2)c2[nH]c(C)c(C)c2c1 354324599 ODDQEOYLBDUBTE-UHFFFAOYSA-N 290.370 3.972 30 20 CHED N#CC[C@H](CC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 355606626 LQQBWTOALZNYEI-MSOLQXFVSA-N 296.414 3.865 30 20 CHED N#CCCN(CCc1ccc(F)cc1Cl)CC1CC1 356188654 DWKZNUQPQKRGCD-UHFFFAOYSA-N 280.774 3.647 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cc(O)c2ccccc2c1 356479836 QIQKJBDYRMPNHD-UHFFFAOYSA-N 296.370 3.605 30 20 CHED C=CCCCC[C@H](C)NCc1csc(COC)n1 358430879 VKLKADGQZFNOTD-LBPRGKRZSA-N 268.426 3.514 30 20 CHED C[C@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)c(C#N)c2)C1 358522893 RIDFNXKJVYSJMF-STQMWFEESA-N 281.359 3.585 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cncc(F)c1 359236144 MBBBGXQKHWVPLX-MNOVXSKESA-N 287.313 3.643 30 20 CHED Cn1cc(CN2CCCC[C@@H]2c2ccc(F)cc2)cc1C#N 361571642 NLVPUIKGIRZNQH-GOSISDBHSA-N 297.377 3.763 30 20 CHED C#CCCCNCc1ccccc1OCc1ccccc1 381002030 PAVIIAGBTGQFML-UHFFFAOYSA-N 279.383 3.769 30 20 CHED C[C@H]1CN(Cc2ccc(CC#N)cc2)c2ccccc21 399181209 LQIOKZRUSACFRV-AWEZNQCLSA-N 262.356 3.876 30 20 CHED Cc1cc(C)c(C#N)c(SC2CC(OC(C)C)C2)n1 412982065 XCMKYMZXVSTRBD-UHFFFAOYSA-N 276.405 3.618 30 20 CHED CC(C)COc1cccc(CNc2ncc(C#N)cc2F)c1 413079810 VERZAXRLAGQRLV-UHFFFAOYSA-N 299.349 3.739 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1F 414164148 JRPUBCAMGSRAMS-SNVBAGLBSA-N 252.308 3.555 30 20 CHED N#Cc1ccc(=O)n(CC2CCC(c3ccccc3)CC2)c1 419034422 ZNEKCUBTTWDRGZ-UHFFFAOYSA-N 292.382 3.694 30 20 CHED CCCNC(=O)CCCS[C@H](C)c1ccc(C#N)cc1 419421150 LHTMZVJLJZCDGJ-CYBMUJFWSA-N 290.432 3.659 30 20 CHED COc1cc(Cl)ccc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 424322214 IDHACGZOYBYGFW-NTZNESFSSA-N 278.783 3.691 30 20 CHED CC(C)Cc1cccc([C@H](C)C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 424965140 IOUQFNZAVXQLEF-QILLFSRXSA-N 298.430 3.797 30 20 CHED N#Cc1c(N2[C@H]3CC[C@H]2c2ccccc23)ncc2c1CCC2 425238015 UGCKERKOYBLRDR-ROUUACIJSA-N 287.366 3.838 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(F)cc1F 426030763 VLGGIZXNNSSMFJ-YPMHNXCESA-N 294.345 3.776 30 20 CHED CC(C)c1ccoc1-c1noc(-c2cccc(C#N)c2)n1 426216301 QCCWKYADGBWWGO-UHFFFAOYSA-N 279.299 3.992 30 20 CHED Cc1nc(C)c(C#N)c(SCc2ccc(C)c(C)c2)n1 428082336 YTGLJLDNVPFSFN-UHFFFAOYSA-N 283.400 3.874 30 20 CHED C=CC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 432336024 LWPKIGOAPZBFNP-UHFFFAOYSA-N 266.728 3.651 30 20 CHED CCc1ccccc1CCn1nc(C#N)c2ccccc21 432477113 KJMBNNUCMGEGDW-UHFFFAOYSA-N 275.355 3.713 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(F)c(F)cc1F 432803838 HXRRPHOTXWJCPS-UHFFFAOYSA-N 286.297 3.828 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ncc(C(C)(C)C)s1 437867318 JRBJCCDIUYQUMZ-HNNXBMFYSA-N 296.436 3.608 30 20 CHED Cc1cccc(C)c1CN1CCCC(C)(C)[C@@H]1C#N 444733907 NGQXHGCRWNPZTP-INIZCTEOSA-N 256.393 3.818 30 20 CHED CC(C)O[C@@H]1C[C@H](NC2CCC(C)(C#N)CC2)C1(C)C 449251919 RIZBYCJIRDNUMA-KRIMKBQASA-N 278.440 3.641 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCc3ccc(C#N)cc32)C[C@H]1C 450260070 ZMWNBRKUBLQRMS-IOASZLSFSA-N 282.387 3.520 30 20 CHED C=CCOc1ccc(CC(=O)N2[C@@H](C)CC[C@H]2CC)cc1 450376396 GPWNSBVAMXGJHO-GOEBONIOSA-N 287.403 3.583 30 20 CHED CC(C)N(CCS[C@H]1CC[C@H](C#N)C1)C(C)C 450898171 BBRWRMJWGXQIEP-KBPBESRZSA-N 254.443 3.531 30 20 CHED CC(C)c1ccc(Cc2noc([C@]3(C#N)C[C@@H]3C)n2)cc1 453054681 BKCARENWFYPZHY-SJCJKPOMSA-N 281.359 3.585 30 20 CHED C=CCC1(c2nc(Cc3ccncc3)no2)CCCCC1 453064866 PDMVQRDGFHSCGJ-UHFFFAOYSA-N 283.375 3.833 30 20 CHED CC[C@@H](N[C@@H](C)C(C)(F)F)c1ccc(C#N)cc1 453288960 MBULJEDMPZMACK-GXFFZTMASA-N 252.308 3.643 30 20 CHED C=C(C)CCNC(=O)N(C)Cc1ccc(Cl)s1 455308615 JSLLYQHLEGGVAN-UHFFFAOYSA-N 272.801 3.509 30 20 CHED CCC[C@H](NC(=O)CCc1ccc(C#N)cc1)C1CCC1 458291904 CESOQRZSFIEAJR-KRWDZBQOSA-N 284.403 3.576 30 20 CHED CC#CCN(C)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 458779424 QSZYZRADZQIKMV-CYBMUJFWSA-N 298.361 3.705 30 20 CHED C=C(CC)CNC(=O)N1CCCCC[C@@H]1c1ccncc1 459085799 WBLYXHYNSLCEDQ-MRXNPFEDSA-N 287.407 3.675 30 20 CHED N#CCCN(Cc1ccc(C2CC2)cc1)CC1CC1 459342505 RSNXLOXFNUCQGB-UHFFFAOYSA-N 254.377 3.690 30 20 CHED CCC[C@@H](C)N(C)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 462372093 SKWBGTFNAWBDSD-LLVKDONJSA-N 298.346 3.639 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccccc1OC(F)F 466385738 JGRJLENQIBOMJW-JTQLQIEISA-N 284.306 3.764 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)CSc1ccccc1 466527792 FJRDEZBWNHTOFE-KBPBESRZSA-N 277.433 3.886 30 20 CHED C=CC[C@H](CC)N[C@@H](C)c1cccc(OCCN(C)C)c1 467412775 UJMCNYBRKWUZSQ-RDJZCZTQSA-N 290.451 3.632 30 20 CHED Cn1c(CCSc2cccc(C#N)c2)nc2ccccc21 468655724 OARNPSCJKWMQID-UHFFFAOYSA-N 293.395 3.780 30 20 CHED CC(C)[C@@H](C#N)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 470147610 GAFJWHGASXXRNM-MGPQQGTHSA-N 264.413 3.503 30 20 CHED C=CCCCCNCc1c(C)nn(Cc2ccccc2)c1C 472034740 HYJFWCDYZWXSBH-UHFFFAOYSA-N 297.446 3.994 30 20 CHED C=CCC[C@H](O)CN[C@@H]1CCC[C@@H]1CCC(C)C 472604008 FKGZTELGNSXKJQ-OWCLPIDISA-N 253.430 3.508 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)Cc1ccc(C)s1 472793161 QIDKSAXXLGFPBN-LBPRGKRZSA-N 280.437 3.643 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 481860892 IVKADNOMTFSKRT-LZWOXQAQSA-N 290.794 3.703 30 20 CHED C=CCCOCCCCC(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C 482682671 WMSXYWGPXFAPLD-ZACQAIPSSA-N 295.467 3.938 30 20 CHED CC[C@H]1CCCN1Cc1ccccc1C(C)(C)C#N 487389548 JFEHXKXTTIKGFJ-HNNXBMFYSA-N 256.393 3.862 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C)cc1Cl 488812618 FYSSHXBLANYOIA-LBPRGKRZSA-N 263.768 3.829 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1cccc(F)c1C#N 488992093 ZLKRSMNIUVNZHU-NSHDSACASA-N 276.355 3.642 30 20 CHED C=CCCCS(=O)(=O)N[C@H](CCC=C)c1ccccc1 489690414 VZKBZTXNXIKGLE-MRXNPFEDSA-N 293.432 3.580 30 20 CHED C=CC[C@@H](C(=O)N1CCOC2(CCCC2)C1)c1ccccc1 489694760 IOIUMTZXISHGSZ-QGZVFWFLSA-N 299.414 3.518 30 20 CHED CCc1nc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)o1 505589415 BICKNACROPWRKI-UHFFFAOYSA-N 297.358 3.599 30 20 CHED C[C@@H](C(=O)N(C)c1ccccc1C#N)c1cccc(Cl)c1 508080406 UPBATVHICNEQGI-GFCCVEGCSA-N 298.773 3.978 30 20 CHED C=CCSCCNC(=O)N1CCCC[C@H]1[C@@H](C)CC 509185608 PGKPXPDLEVUVPZ-KBPBESRZSA-N 284.469 3.516 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(C#N)c1C 510220911 DICRUMULMUQFDC-PBHICJAKSA-N 284.403 3.908 30 20 CHED CCN(CCc1ccc2ccccc2c1)C[C@H](C)C#N 511667792 SCCIFQYYYADGIL-OAHLLOKOSA-N 266.388 3.864 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)c1ncc(C#N)cc1Cl 513650251 LDGQFWFSNHEUDI-JTQLQIEISA-N 289.741 3.943 30 20 CHED Cc1cc(NC[C@H](C#N)CCC#N)ccc1C1CC1 514767640 OZHIUZGWRXGLLK-ZDUSSCGKSA-N 253.349 3.728 30 20 CHED C=C(CC)CNC(=O)CCCc1ccc(SC)cc1 517569871 MWYQQWXECXSBHI-UHFFFAOYSA-N 277.433 3.814 30 20 CHED C=CCn1c(N2CCC[C@H]2C2CCC2)nnc1C(C)(C)C 517626734 IMYILOGWKRAFCX-AWEZNQCLSA-N 288.439 3.531 30 20 CHED C=CC1CCN(Cc2ccc(F)cc2Br)CC1 522083500 ZRKMTRUFWDUOIE-UHFFFAOYSA-N 298.199 3.986 30 20 CHED Cc1ccccc1[C@@H](Nc1nnc(C)c(C)c1C#N)C1CC1 522121961 CKWTWXDMBJAQAF-KRWDZBQOSA-N 292.386 3.837 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](c1ccccc1C)C1CC1 522632283 RRIBWHNVJRCRRL-XJKSGUPXSA-N 272.392 3.710 30 20 CHED C=CCCCN(CCC)C[C@H]1COc2ccccc2O1 522775627 MOXNAOOOSHBICU-HNNXBMFYSA-N 275.392 3.505 30 20 CHED CC(C)N(CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 534342227 WAGAXGNGMPEOJX-UHFFFAOYSA-N 288.288 3.969 30 20 CHED C=C(C)[C@H](CC(=O)N(C(C)C)C1CCCC1)OCC 534417112 OCRUUCFLRRKYKG-HNNXBMFYSA-N 267.413 3.537 30 20 CHED CCC(CC)[C@H](C)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 535610563 PYVQXWWNIUFHER-HEHGZKQESA-N 264.413 3.647 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)[C@H](C)c1ccccc1)OCC 535966389 YGBDGGQJKHBFEA-UXLLHSPISA-N 289.419 3.666 30 20 CHED CC(C)[C@@H](C)NC1CCC(Oc2ccccc2C#N)CC1 536863454 LSNJMDBXSNPNOV-ODIFPOPNSA-N 286.419 3.882 30 20 CHED C=CCCOCCCCC(=O)N[C@H]1C[C@H]1C1CCCCC1 537199391 NYPYOPLNAGOYGA-IRXDYDNUSA-N 293.451 3.834 30 20 CHED C[C@H](NCC(C1CC1)C1CC1)c1ccc(C#N)c(F)c1 537409731 ZGURVNQIADTTDJ-NSHDSACASA-N 272.367 3.784 30 20 CHED C=CCN(C(=O)CCOc1ccccc1C(C)C)C1CC1 537932258 BAAGLRAIXOQHNF-UHFFFAOYSA-N 287.403 3.756 30 20 CHED N#Cc1nn(CCCCC2CCOCC2)c2ccccc12 539709315 QSGGGWWPJQLENE-UHFFFAOYSA-N 283.375 3.505 30 20 CHED C=CCC[C@@H](O)CNC1(c2ccc(F)cc2F)CCCC1 540426269 TZKCHXMSLPMITR-CQSZACIVSA-N 295.373 3.651 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnc(C(C)(C)C)nc1 540549103 MGFQBGHJUWQHKC-LBPRGKRZSA-N 290.411 3.640 30 20 CHED Cc1ccnc(N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1C#N 541279012 MZAUCNQHIVKVPT-NVXWUHKLSA-N 291.398 3.892 30 20 CHED CC[C@H](CC(F)(F)F)Nc1nc2c(cc1C#N)CCCC2 546175655 NOBZRSKCDNSMSH-GFCCVEGCSA-N 297.324 3.975 30 20 CHED COc1ccc([C@@H](CCC#N)NCc2cccc(C)n2)cc1 547014023 PZELBEKLAWKJDP-GOSISDBHSA-N 295.386 3.533 30 20 CHED C=CCCCC(=O)N[C@]1(C)CCCc2ccccc21 547242478 LVHKQLOIBCOTQL-QGZVFWFLSA-N 257.377 3.711 30 20 CHED CC(C)(C#N)CC[S@](=O)CCCCc1ccccc1 547487656 SGJUQKSOYNKBBV-LJQANCHMSA-N 277.433 3.698 30 20 CHED C=CCCNc1cc(Cl)ccc1OC[C@@H]1CCOC1 547955274 BGEJGSOYMKJWIR-GFCCVEGCSA-N 281.783 3.743 30 20 CHED Cc1ccsc1CN(C)c1ncc(Cl)c(C)c1C#N 555120742 WTMZCJXMONXGLB-UHFFFAOYSA-N 291.807 3.921 30 20 CHED C=CC[C@H](C)NC(=O)NCc1cc2ccccc2s1 558113794 LJDBMTQBKGCOQZ-NSHDSACASA-N 274.389 3.665 30 20 CHED Cc1cccc(C)c1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N 560027539 ZZHBZDIPTGDVKH-RBUKOAKNSA-N 298.430 3.731 30 20 CHED C=C(CC)CNc1cccc(CC(=O)OC(C)(C)C)c1 560949912 SECKCMLLDPWVAO-UHFFFAOYSA-N 275.392 3.949 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 576545849 GKWAZXIUHSKNDZ-MRVPVSSYSA-N 290.260 3.931 30 20 CHED CCCC[C@H](C)N(C)c1ccc(Cl)c(C#N)n1 576995608 BDDUMQJKIDNGLU-JTQLQIEISA-N 251.761 3.622 30 20 CHED N#Cc1ccnc(N2CCC(Cc3ccc(F)cc3)CC2)c1 579986968 IYXRAYIMJBHONZ-UHFFFAOYSA-N 295.361 3.551 30 20 CHED CC#CCCCc1nc(C(C)(C)Cc2ccccc2)no1 582386586 ITSRUSTZXAOCEV-UHFFFAOYSA-N 282.387 3.936 30 20 CHED O=C(/C=C\c1ccc(Cl)cc1F)c1cc(O)cc(O)c1 588542751 QFZIEHDQQDTCKO-RQOWECAXSA-N 292.693 3.786 30 20 CHED C/C=C(/CC)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 588570066 XCYILBDKYCQIDW-VQNWOSHQSA-N 262.378 3.799 30 20 CHED CC(C)(C#N)CCCOc1ccnc2c1CCCC2 594493064 FZOKBECVGXBHPQ-UHFFFAOYSA-N 258.365 3.669 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1CC1(C#N)CC1 595603039 WYWJEQMAMQIYBD-OAHLLOKOSA-N 254.377 3.744 30 20 CHED C=CCCSCCNC(=O)N(C)[C@H](C)c1cccs1 595723370 XUYHNFHZWFRKFQ-GFCCVEGCSA-N 298.477 3.760 30 20 CHED CC(C)c1ccc2ncnc(N3CCC[C@H](CC#N)C3)c2c1 596325190 IAXZVYMZPYNGPW-CQSZACIVSA-N 294.402 3.883 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cccc(CC#N)c2)C1 596929787 YHXIUHALXVXKKN-OAHLLOKOSA-N 283.375 3.573 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597904700 JMQKOVXEDXMBSO-FUHWJXTLSA-N 296.414 3.889 30 20 CHED Cc1cc2cc(C(=O)N(C3CC3)[C@@H](C)C#N)oc2cc1C 598129982 AHUJVPAUKMLSMH-LBPRGKRZSA-N 282.343 3.566 30 20 CHED CCN(Cc1c(Cl)oc2ccccc12)[C@H](C)C#N 598628001 JWLUNSNMDKTYAI-SNVBAGLBSA-N 262.740 3.820 30 20 CHED CC1CC(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)C1 598905810 LGGNGIMANXOOMQ-UHFFFAOYSA-N 297.185 3.641 30 20 CHED COc1ccc2c(c1)CC[C@@H]2NCC(C)(C)CCC#N 601280484 OPVDYPVWJCWLAS-INIZCTEOSA-N 272.392 3.602 30 20 CHED CN(Cc1cccc(C#N)n1)[C@H]1CCC[C@H]1c1ccccc1 602692171 VLPDAYHWKLTLBH-OALUTQOASA-N 291.398 3.721 30 20 CHED CCSc1ccccc1C(=O)NCc1cccc(C#N)c1 603509539 CJAHVUIXHHTWDK-UHFFFAOYSA-N 296.395 3.600 30 20 CHED CCOc1ccc(C#N)cc1NCc1nc2ccccc2o1 604434813 FJCNPTVZXBAVTN-UHFFFAOYSA-N 293.326 3.710 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCC[C@H]1CCC(C)C 604898313 PWSXDCQMSRVCRP-KKUMJFAQSA-N 266.429 3.855 30 20 CHED CCC[C@@H](C#N)NC(=O)c1sc2ccc(F)cc2c1C 608816257 WHNSASADZIXZFM-NSHDSACASA-N 290.363 3.771 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H](Cc1ccccc1)C(C)C 611250606 LCLZEACHWCSYEV-IAGOWNOFSA-N 286.419 3.556 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cc(C#N)cs1 611561496 RUEHTYSOQLFBDW-KOLCDFICSA-N 288.338 3.783 30 20 CHED C[C@@]1(C#N)CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 612109068 XRTSHXVLRRRPBU-AWEZNQCLSA-N 293.292 3.707 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(Br)cs2)C1 612162006 XPZOQDVSFLFYGQ-LBPRGKRZSA-N 299.237 3.636 30 20 CHED C[C@@H](CCc1cccc(F)c1)N1CCC[C@@](C)(C#N)C1 612406528 ORYQMIJHASHGSW-YOEHRIQHSA-N 274.383 3.772 30 20 CHED CC[C@@H](CSC)Nc1nc(C(C)(C)C)ccc1C#N 613429637 YVSWAATURHZHFH-LBPRGKRZSA-N 277.437 3.804 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](C(=O)OC)c1ccccc1F 614652401 HATUNWABPPKABV-CZUORRHYSA-N 293.382 3.764 30 20 CHED C=CCCC(=O)Nc1ccc(Cl)cc1SC 617252015 GNFDBTURDSMDPR-UHFFFAOYSA-N 255.770 3.967 30 20 CHED C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cn1 618802306 DHWYXVOSILLBAQ-GTNSWQLSSA-N 297.789 3.945 30 20 CHED C=CCC1(NC(=O)c2ccn(C3CCCC3)n2)CCCC1 619107925 LRVZYYPJUGBVSH-UHFFFAOYSA-N 287.407 3.617 30 20 CHED CC[C@@H](C)[C@H](C)NCc1ccc(C#N)c(Cl)c1 619754829 LRTVWALDPLOMFC-MNOVXSKESA-N 250.773 3.736 30 20 CHED Cc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)s1 619767160 SRSOAYOZFHVEAC-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H]1CCN(C2CCCCC2)C1 620859246 ZBLZWTCKUNVPFA-OAHLLOKOSA-N 292.467 3.502 30 20 CHED C=CC[C@H](CC)NCc1cc(C)c(Br)cn1 623513248 PNRXFCZWMCYUNW-NSHDSACASA-N 283.213 3.597 30 20 CHED C=CCCOCc1nc(-c2occc2C(C)C)no1 644587295 MOEAUMIYNUZJHE-UHFFFAOYSA-N 262.309 3.546 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 648144163 NWTSCPYIILEJFT-CYBMUJFWSA-N 298.386 3.746 30 20 CHED C=C(CC)CNC(=O)N(CCC)Cc1ccccc1F 653269902 NNNJBFLPFJPDJF-UHFFFAOYSA-N 278.371 3.714 30 20 CHED C=CCC[C@@H](NCc1cnc2n1CCC2)c1ccccc1 657412955 MBBRLYJGAAJMQY-QGZVFWFLSA-N 281.403 3.626 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCc1ccccc1O 657865133 PVWPIYOMZZUYPY-GOEBONIOSA-N 259.393 3.659 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C)Cc2cccs2)C1 660327880 FMHPSQRJAQADFL-KGLIPLIRSA-N 292.448 3.677 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@@H](C)c1ccc(OC)cc1 663859479 ULAPMHIJSHUKHP-ZDUSSCGKSA-N 290.407 3.800 30 20 CHED C=CCC1(NC(=O)Nc2ccc(C(C)=O)cc2)CCCC1 664404918 YKWPFLZIHLVBLC-UHFFFAOYSA-N 286.375 3.900 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2c(F)cccc2F)C1 665155720 XSBOJYUNDCIBEW-LLVKDONJSA-N 280.318 3.785 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C(C)C)on2)C1 666205491 WUHFGGQNVBAISY-GFCCVEGCSA-N 277.368 3.618 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H](CC)C1CCOCC1 666238547 LJWDYSZKUXYOEZ-RTBURBONSA-N 287.447 3.969 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC2(CCC2)CC1 672487128 MSNVXNNCIJPKEH-CQSZACIVSA-N 264.413 3.707 30 20 CHED CC#CCCCC(=O)NCc1ccc(OC(C)(C)C)cc1 680996727 OAHJQXDDPOCKDU-UHFFFAOYSA-N 287.403 3.674 30 20 CHED C=C(C)CCSc1nnc(-c2ccccc2F)o1 681363043 RMCKIAMXHAOFMF-UHFFFAOYSA-N 264.325 3.934 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCCC[C@H](C)C1 685546064 SFHFNINXVZJBMW-UONOGXRCSA-N 276.428 3.604 30 20 CHED C[C@H](CC(C)(C)C#N)NC1CCN(Cc2ccccc2)CC1 695861522 BKDXDCSVKJIABL-MRXNPFEDSA-N 299.462 3.569 30 20 CHED N#Cc1cc(NC(=O)C23CCC(CC2)CC3)ccc1F 710086826 NXKCDNMOLIGNGX-UHFFFAOYSA-N 272.323 3.606 30 20 CHED C#Cc1cccc(NC(=O)C(C)(C)c2ccc(C)cc2)c1 728461510 GTWFBYILHKREIA-UHFFFAOYSA-N 277.367 3.893 30 20 CHED c1ccc(CC(=NNc2ccccn2)C2CC2)cc1 729140194 AKZXRWSBXPESOF-UHFFFAOYSA-N 251.333 3.502 30 20 CHED CC1=CC(=NNCCCOc2ccccc2)CCC1 729148706 DCYUDKRQQHKWOQ-UHFFFAOYSA-N 258.365 3.531 30 20 CHED N#CCOc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1 729267512 VHENOYOZOACVDN-QGZVFWFLSA-N 298.411 3.988 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(F)cc2)c(C#N)c2n1CCC2 730084895 JVOSCDSCUXQQPP-TWGQIWQCSA-N 294.329 3.650 30 20 CHED O=C(O)c1ccc(C(=O)/C=C\c2ccc(F)cc2F)s1 730588652 BWRYICNAUXOLAI-RQOWECAXSA-N 294.278 3.621 30 20 CHED CCCC[C@@H](CC)CNC(=S)N(CCC#N)CC(C)C 730591904 RXYAHLDUEMGZCU-OAHLLOKOSA-N 297.512 3.949 30 20 CHED Cc1cc(C)c([C@H](C)OC(=O)c2ccc(C#N)cn2)c(C)c1 730923022 UIIVIOJKQBRLJW-AWEZNQCLSA-N 294.354 3.797 30 20 CHED C#CCNC(=O)Nc1cccc(Sc2ccccc2)c1 731110283 NSSUSYJBCXKNTB-UHFFFAOYSA-N 282.368 3.593 30 20 CHED CCc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)s1 731158830 JXIKXLVYPLKQSS-CMDGGOBGSA-N 274.389 3.557 30 20 CHED Cc1ccccc1C(=NNc1ccc(F)cn1)C1CC1 731927757 RZRLRZVHCVGFJS-UHFFFAOYSA-N 269.323 3.755 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnn(CC)c1 733923891 SLUKUMUCGQJOPK-UHFFFAOYSA-N 279.428 3.726 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(C)ccc1F)CO2 734980114 FULHYDMWODTXPB-JYRVWZFOSA-N 298.313 3.801 30 20 CHED C=CCN(C(=O)c1cc2c(C)c(C)ccc2[nH]1)C(C)C 735044448 OYCUNLFKKKKPNI-UHFFFAOYSA-N 270.376 3.821 30 20 CHED CCOc1ccc(/C=N/CC2Cc3ccccc3C2)c(O)c1 735228506 CLJGWSQNWAZQMR-DEDYPNTBSA-N 295.382 3.625 30 20 CHED C=C(Br)CN1CCS[C@H](c2ccccc2)C1 735562007 GJGNBQMBUOBXAV-ZDUSSCGKSA-N 298.249 3.685 30 20 CHED C=C(Cl)COC(=O)c1ccccc1OC1CCC1 735732689 IJMFJDUGXIJGRI-UHFFFAOYSA-N 266.724 3.527 30 20 CHED C=CCCCOC(=O)C(C)(C)c1cccc(F)c1 736877328 XLCRAHZRSFIRNF-UHFFFAOYSA-N 250.313 3.613 30 20 CHED COc1ccc(CCNN=C(C)Cc2cccs2)cc1 737439779 HVDWVTHOTHPXBN-UHFFFAOYSA-N 288.416 3.507 30 20 CHED CCCCCCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] 737582826 UXBNDNNTLJVREY-UHFFFAOYSA-N 290.363 3.844 30 20 CHED CCCCCCCCN1CCC[C@@H](CNC(=O)C(C)C)C1 740876377 SDNWOMCDIKYNDO-KRWDZBQOSA-N 296.499 3.831 30 20 CHED COc1cccc(/C=N/[C@@H]2C[C@@H]2C2CCCCC2)c1O 741465377 VBSIJENPUOMJEB-GECXBNKPSA-N 273.376 3.789 30 20 CHED CCOc1ccc(/C=N\CC(C2CC2)C2CC2)c(O)c1 743044560 LPPORJSHINRQPA-ZDLGFXPLSA-N 273.376 3.646 30 20 CHED Cc1ccc(SCC/N=C\c2cccc(O)c2O)cc1 743331004 YNEXKVCCYPIASO-BOPFTXTBSA-N 287.384 3.617 30 20 CHED COc1ccc(C=O)cc1CSc1ccccc1C#N 743454050 DDGNOGJNYJHUJD-UHFFFAOYSA-N 283.352 3.672 30 20 CHED C=C(C)CNC(=S)NCc1cccc(Cl)c1Cl 745651498 RXFPMIIWIDJEQU-UHFFFAOYSA-N 289.231 3.534 30 20 CHED Cc1cc(C)cc([C@@H](C)NC(=O)C#Cc2ccccc2)c1 747223731 ODRBFUYTCICTMU-MRXNPFEDSA-N 277.367 3.532 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)C1CCC1 747632312 BILBJQKWKMJUEZ-UHFFFAOYSA-N 257.259 3.688 30 20 CHED CCn1cc(C(C)=NNc2ccc(Cl)c(F)c2)cn1 747636301 YKRGXASKQVGSJX-UHFFFAOYSA-N 280.734 3.532 30 20 CHED CCN(C)c1ccc(C(C)=NNc2ccccc2)cc1 748074447 KAZGZQDTPKJGGZ-UHFFFAOYSA-N 267.376 3.979 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(C#N)s1)C2=O 748999538 YUHCFWUHWFWHGN-XFFZJAGNSA-N 265.337 3.751 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccsc1 749103734 AGPRGVJTUQJCHI-UHFFFAOYSA-N 264.781 3.915 30 20 CHED N#Cc1ccc(OC[C@@H]2CC2(Cl)Cl)c(Cl)c1 750488731 RZCVITYYBHNMDZ-QMMMGPOBSA-N 276.550 3.784 30 20 CHED CCC1(C)CCC(=NNc2cncc(Cl)n2)CC1 751525874 HGPKLWBLGYWWCL-UHFFFAOYSA-N 266.776 3.888 30 20 CHED C[C@@H](OC(=O)C(C)(C)C#N)c1ccc(C(F)(F)F)cc1 753210148 TXZQVVWNTCQMRX-SECBINFHSA-N 285.265 3.859 30 20 CHED C#C[C@@H](CC)NC(=O)Cc1csc2ccc(Cl)cc12 754372009 UTWLBWXZWNFMFX-LBPRGKRZSA-N 291.803 3.625 30 20 CHED C=CCc1cc(CN2CCCC(C)(C)C2)c(O)c(OC)c1 754725900 FTGUKFOBDNUGNW-UHFFFAOYSA-N 289.419 3.751 30 20 CHED CCCCCCCCNC(=O)c1ccc(CN(C)C)cc1 755146058 CEEJQASCVVOYHN-UHFFFAOYSA-N 290.451 3.839 30 20 CHED CC(=NN=Cc1ccc(CC(C)C)cc1)c1cnccn1 755892004 OZZBTBBMTBDIPA-UHFFFAOYSA-N 280.375 3.518 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2c(F)cccc2F)c1 757468907 VNCNRBQDBASZPM-VURMDHGXSA-N 290.265 3.575 30 20 CHED CC(CC1CCC1)=NNc1cccc([N+](=O)[O-])c1C 758369368 FBGBFFTVGQAREI-UHFFFAOYSA-N 261.325 3.881 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 759070212 RCKGWDSILOABTC-UHFFFAOYSA-N 294.738 3.955 30 20 CHED N#C[C@@H](C(=O)/C=C\c1cccnc1)c1ccc2ccccc2n1 759188150 RTFBCHKTSJWGKZ-BSDKJSHOSA-N 299.333 3.519 30 20 CHED C#CCCNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 760295732 MBYUDOHZALOLGA-UHFFFAOYSA-N 282.299 3.822 30 20 CHED C=CCCCOc1c(OC)ccc(C=O)c1Br 760560742 DXENHKRZJHUWHO-UHFFFAOYSA-N 299.164 3.615 30 20 CHED CCCCCCCCNC(=O)CCc1ccc(O)cc1 760924111 QAFLOBJQDKWIHC-UHFFFAOYSA-N 277.408 3.802 30 20 CHED OC1CCC(=NNc2c(Cl)cc(F)cc2Cl)CC1 761833428 CUFULPXAZGCBLG-UHFFFAOYSA-N 291.153 3.835 30 20 CHED CC(C)c1cccc(C(=O)OCc2ccc(C#N)cc2F)n1 762047176 MJVGMFOKBWGJJP-UHFFFAOYSA-N 298.317 3.573 30 20 CHED CCC(=NNc1nccc(N(CC)CC)n1)c1ccccc1 762607677 HIGDFZVJVKRXDJ-UHFFFAOYSA-N 297.406 3.549 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N1CCCCCCC1 764043390 RLBIFHUXWHHIEO-QGZVFWFLSA-N 284.403 3.552 30 20 CHED COc1ccc([C@H](C)OC(=O)c2ccc(C#N)s2)cc1 764427498 KMELORANBDOXTI-JTQLQIEISA-N 287.340 3.546 30 20 CHED COc1ccsc1/C=C\C(=O)c1cc(F)cc(F)c1 764441294 GJLCYIIKACWXDC-IHWYPQMZSA-N 280.295 3.931 30 20 CHED CCCCCCCON=Cc1ccc([N+](=O)[O-])o1 764543811 PWYKVDSAKIAMHE-UHFFFAOYSA-N 254.286 3.509 30 20 CHED C/C=C(/C=C/C(=O)N(CCC#N)c1ccc(F)cc1)CC 765456959 WCKPAGQMAFEGDE-LBLJKZAVSA-N 286.350 3.985 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ncnc2sccc12 766000857 AABFBJHDKNUQIW-SECBINFHSA-N 274.393 3.915 30 20 CHED C[C@H](C=NNc1c(F)cccc1Cl)CCC#N 766028738 GSKFWBQLJGMJKN-VIFPVBQESA-N 253.708 3.817 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccccc1SCC=C(C)C 767252520 BRTNZUOLSBJVCC-AWEZNQCLSA-N 287.428 3.839 30 20 CHED O=[N+]([O-])c1ccccc1C=NNc1c(F)cccc1Cl 769828537 HREJVKRSFSGHBT-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C#CC[C@H](NC(=O)c1c(O)cccc1Cl)c1ccccc1 770131782 JPXYFAGYPQWIGK-AWEZNQCLSA-N 299.757 3.540 30 20 CHED C#CCCCCC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 773285508 KUQYLKGAWCTSNQ-UHFFFAOYSA-N 296.414 3.903 30 20 CHED CCCCCCCCCC(=O)N1CCSC[C@H]1C#N 775497372 JCJNWJXOELEQEK-CQSZACIVSA-N 282.453 3.595 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCc2c(Cl)cccc21 775928476 AIYXNALZIKWILZ-CYBMUJFWSA-N 277.751 3.607 30 20 CHED C=CCN(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)C(C)C 775982041 XSSLDOMKFUFASH-SNVBAGLBSA-N 280.334 3.569 30 20 CHED C#CCCCCC(=O)Nc1ccnn1[C@H](C)CC(C)C 776303488 JEMWEYHWPMQIHL-CQSZACIVSA-N 275.396 3.622 30 20 CHED CC(C)c1ccc(C(=O)OCCC(C)(C)C#N)cc1 776359610 LFCGWTUYHQSGOS-UHFFFAOYSA-N 259.349 3.907 30 20 CHED N#C[C@H](OC(=O)c1ccc(F)cc1F)C1CCCCC1 776361040 IWYISQZEOKREFW-AWEZNQCLSA-N 279.286 3.594 30 20 CHED C[C@@H]1CCCC[C@H]1OCC(=O)O[C@@H](C#N)C1CCCCC1 776386725 SPHFLIGODDPXPO-BMFZPTHFSA-N 293.407 3.597 30 20 CHED CS[C@@H]1CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 776741946 YMGAWYYUVZKXNP-DDTOSNHZSA-N 278.396 3.632 30 20 CHED C=CCSc1ccccc1C(=O)OC[C@H]1CC[C@H](C)O1 777349611 BSSFFRMPSKNQRX-QWHCGFSZSA-N 292.400 3.689 30 20 CHED CC(C)c1cc(NCc2ccc(N(C)CCC#N)cc2)no1 777519642 QOSABBAEHRFBMF-UHFFFAOYSA-N 298.390 3.760 30 20 CHED Cc1cc(/C=C\C(=O)c2cc(O)cc(O)c2)ccc1Cl 779713604 QARQNOBZKTVMJY-HYXAFXHYSA-N 288.730 3.956 30 20 CHED Cc1cccc(CC(=O)OCc2ccc(Cl)cc2C#N)c1 780034602 KOOMDYSBAIVNSZ-UHFFFAOYSA-N 299.757 3.806 30 20 CHED CCC1(C)CCC(=NN[C@@H]2CCOC(C)(C)C2)CC1 780248301 ZXFKFTFWYQQKEC-IURRXHLWSA-N 266.429 3.880 30 20 CHED CCCc1cccc(C=NN[C@@H]2CCOC(C)(C)C2)c1 780249563 HYFQAAOLMJSUKE-MRXNPFEDSA-N 274.408 3.520 30 20 CHED Cc1ccc(CC(=NNc2ccnc(F)c2)C2CC2)cc1 781128328 UWMVFBZBSHTGIL-UHFFFAOYSA-N 283.350 3.950 30 20 CHED CCC(CC)CNN=Cc1cnc(-c2ccco2)s1 782271640 ITYVAPHHCKOJFW-UHFFFAOYSA-N 277.393 3.763 30 20 CHED O=C(/C=C/c1ccc2cnccc2c1)c1ccncc1 782303353 WZLQVGANUWSDLT-DUXPYHPUSA-N 260.296 3.526 30 20 CHED CC(C)(C#N)CCCOC(=O)CCc1ccsc1 782527740 UPOUJDJBJOYKGR-UHFFFAOYSA-N 265.378 3.554 30 20 CHED Fc1ccc(NN=C2CCC[C@@H](C(F)(F)F)C2)nc1 783516805 PCZGBWOAMFYKFR-MRVPVSSYSA-N 275.249 3.741 30 20 CHED CC[C@H]1CCC[C@@H](C=Nn2c(C)nc3ccccc3c2=O)C1 783789255 OSTFSYLCVAQKHC-LSDHHAIUSA-N 297.402 3.755 30 20 CHED CC1(C)CCC(=NNc2cnnc3ccccc23)C1 783847299 UKIHORPQDPBBFV-UHFFFAOYSA-N 254.337 3.608 30 20 CHED C[C@@H]1CCC(=NNCCc2ccccc2F)[C@H](C)C1 783854331 ORDZOHYKPAZGNJ-CHWSQXEVSA-N 262.372 3.770 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(C#N)cc1C 785752211 BVPMADMPUWJTRN-MRXNPFEDSA-N 257.333 3.512 30 20 CHED C=C[C@@](C)(CC)C(=O)OCCOc1ccccc1OCC 785760962 FLGVRVDEEOVZKJ-KRWDZBQOSA-N 292.375 3.610 30 20 CHED C=C[C@](C)(CC)C(=O)OCCCOCc1ccccc1 785767310 FZWYWDRYVMJZRB-QGZVFWFLSA-N 276.376 3.739 30 20 CHED CCN(Cc1ccc(N(C)C)cc1)C[C@H](C)CCC#N 787770812 XFSDEKSLTOEXDE-OAHLLOKOSA-N 273.424 3.514 30 20 CHED Cc1[nH]c2ccc(Cl)cc2c1C=NOC[C@H]1CCOC1 788031197 UFMMOKNIXFANMA-NSHDSACASA-N 292.766 3.517 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H](CC)CC2)CCCCC1 788227582 PXGQEHIDUYDQFU-MRXNPFEDSA-N 275.436 3.999 30 20 CHED CCCC[C@H]1CCCC1=NN[C@H](CO)c1ccccc1 788458584 ZIOLMNPRCFPYSP-WMLDXEAASA-N 274.408 3.656 30 20 CHED COc1cc(NN=Cc2cccs2)ccc1Cl 788468677 XEEFFWCSTSXBLQ-UHFFFAOYSA-N 266.753 3.856 30 20 CHED C#CCOc1cccc(Cl)c1C=NNc1ncccc1C 790194316 YIPUNZPSOVYDAG-UHFFFAOYSA-N 299.761 3.501 30 20 CHED CCc1ccc(C=NNc2cccc(F)c2[N+](=O)[O-])s1 790310378 GAWFKAXIEOCUOT-UHFFFAOYSA-N 293.323 3.804 30 20 CHED Cc1ccc(OC(=O)C[C@H](CC#N)c2ccccc2)cc1 792864591 HAIAGFFVKDBECG-INIZCTEOSA-N 279.339 3.988 30 20 CHED CC(C)=CCC/C(C)=C\C=NNc1ncncc1F 793214886 RUEGRAJOYLTVOD-XFOPUFSWSA-N 262.332 3.706 30 20 CHED CCCCCCCCN[C@H](C)c1cc(C)nn1C 793529527 CIRDDQRZDUGUHR-CQSZACIVSA-N 251.418 3.740 30 20 CHED C=CCCCCC[C@H](C)NC[C@]1(N(C)C)CCSC1 793536000 USPLBALXRKWJEO-JKSUJKDBSA-N 284.513 3.538 30 20 CHED CC(C)[C@@H](C=NNc1ccc(Cl)nn1)c1ccccc1 794454897 AXXNXJXBAXORTC-CYBMUJFWSA-N 288.782 3.968 30 20 CHED C=C(C)CNc1cc(C(=O)OC)c(Br)cc1C 795301776 CTXPOOPQDXNJSS-UHFFFAOYSA-N 298.180 3.532 30 20 CHED COc1cc(C)c([C@@H](C)NCC2(CC#N)CC2)cc1C 797586656 JWNKDMBZAQHYIX-CQSZACIVSA-N 272.392 3.657 30 20 CHED C=CC[C@@H](CC)NC(=S)Nc1cc(OC)ccc1Cl 798374755 AGQMHZSEOUOLGF-SNVBAGLBSA-N 298.839 3.990 30 20 CHED COc1ccccc1CON=Cc1cccc(Cl)c1O 799116937 FCZWZSBVIXYHHO-UHFFFAOYSA-N 291.734 3.605 30 20 CHED CC(C)c1nccnc1NN=C1CCC(C(F)F)CC1 799484960 DDBKJTONZQPMFV-UHFFFAOYSA-N 282.338 3.823 30 20 CHED C=C(Cl)COC(=O)c1ncccc1Oc1ccccc1 799561701 FWUPSHJEYCONRR-UHFFFAOYSA-N 289.718 3.783 30 20 CHED FCCC[C@@H]1CCCC1=NNC(=S)NC1CCCCC1 800805924 IMIYUUQCTFFJCL-LBPRGKRZSA-N 299.459 3.689 30 20 CHED CCC[C@@H]1CCc2ccccc2N1CCO[C@@H](C)C#N 801935211 WSBFBUUIQUBKAU-GOEBONIOSA-N 272.392 3.537 30 20 CHED C[C@H](C#N)OCCNc1ccc2nc(C3CC3)sc2c1 802742515 PMLKZLPMEXQPIP-SNVBAGLBSA-N 287.388 3.514 30 20 CHED C[C@H](C#N)OCCSCc1c(F)cccc1Cl 802749823 OGKKRRVPVVPCPE-SECBINFHSA-N 273.760 3.641 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(Cl)cc1F 804415197 DOVCNFMNTXSLFC-QMTHXVAHSA-N 295.785 3.952 30 20 CHED C#C[C@@H](Nc1ncccc1C#N)c1ccc(Cl)cc1F 804807590 IKFCGSNBKMCIME-CQSZACIVSA-N 285.709 3.532 30 20 CHED C=CCCCCCCCCNC(=O)c1ccc(C#N)cn1 805277412 BIGYLMCEJGGSHJ-UHFFFAOYSA-N 285.391 3.600 30 20 CHED C[C@H](OC(=O)CCCCCC#N)c1cccc([N+](=O)[O-])c1 805698036 PCQVBIXGDCQMGP-LBPRGKRZSA-N 290.319 3.673 30 20 CHED Cc1cc(C(=O)/C=C/C=C/c2ccc(F)cc2F)no1 806556134 NRCDBTFUBFDDID-ZUVMSYQZSA-N 275.254 3.714 30 20 CHED N#Cc1nc(F)ccc1OCc1ccc(C(F)F)cc1 808046594 ZPWTZJOWLLLDJJ-UHFFFAOYSA-N 278.233 3.609 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1cccc(C#N)c1)C2=O 809158085 XXVAVZUWHRRGEO-JYRVWZFOSA-N 293.297 3.528 30 20 CHED CC[C@@](C)(C#N)c1nc(Cc2ccc(OC(C)C)cc2)no1 809318858 PKWRUZNEXMBLBD-KRWDZBQOSA-N 299.374 3.639 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(OCC)cc1C 810177493 GGUSJUDKIUHLDU-UHFFFAOYSA-N 293.366 3.556 30 20 CHED C[C@@H](COc1ccccc1)NN=C/C=C/c1ccccc1 811668747 SRMXNHVRVNERFM-NKZWQUTKSA-N 280.371 3.743 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1O 811698385 LFBHZNFTOWUNIB-ZZXKWVIFSA-N 290.265 3.575 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccc(C(=O)O)cc1 814680712 FUXTVZVNMAZSEC-ZDUSSCGKSA-N 285.347 3.503 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1nncc2ccccc12 814706353 YHXICXFFRDILJA-AWEZNQCLSA-N 293.374 3.748 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1csnn1 814811599 MBFUTMXQOWFVGT-LLVKDONJSA-N 288.420 3.736 30 20 CHED COc1ccc(NN=Cc2cccc3cc[nH]c23)cc1 814884292 UNBMEZUMKMCHBS-UHFFFAOYSA-N 265.316 3.623 30 20 CHED Cc1cnccc1Sc1nc(Cl)c(C#N)s1 814973510 HQEKKSNDULGTCY-UHFFFAOYSA-N 267.766 3.523 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(Cl)cc1 815312122 LRVAAUDTEUMUOS-UHFFFAOYSA-N 260.667 3.595 30 20 CHED C=C(Br)CNCc1ccc2ccccc2c1O 816548920 XMONOLRPKSPGPJ-UHFFFAOYSA-N 292.176 3.544 30 20 CHED Cc1cccc2c(C(=O)OCC3(C#N)CCC3)coc12 820638355 CYRFTERCZXSPBU-UHFFFAOYSA-N 269.300 3.592 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2c(C)cccc2OC)C1 822976346 XEVRPLIWPQTDIH-CQSZACIVSA-N 288.391 3.824 30 20 CHED C[C@@H](C#N)OC(=O)c1cc2c(Cl)cccc2s1 825218943 MIQMSUMJULBEGB-ZETCQYMHSA-N 265.721 3.624 30 20 CHED C=CC[C@@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 826946927 LXOZEVZYDVEQFI-HZPDHXFCSA-N 284.403 3.766 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CC12CCSCC2 827323985 VQUNXLOAZJOTBC-AWEZNQCLSA-N 283.481 3.996 30 20 CHED CCc1c(Cl)ncnc1N[C@@H]1CCc2cc(C#N)ccc21 828041724 WKEQYLFEQBFGFD-CQSZACIVSA-N 298.777 3.663 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C3CCC3)cc2)n(C)n1 834441276 FGCOQKHTNAZMDV-DHZHZOJOSA-N 280.371 3.892 30 20 CHED CC#CCCCc1nc(C[C@@]2(C)CC2(Cl)Cl)no1 834875251 WNLXLAPINSQGRT-LBPRGKRZSA-N 287.190 3.542 30 20 CHED CC(C)CC[C@@H]1CCC(=NNc2cnnc(O)c2Cl)C1 834937015 GVTWODFGQRULGR-SNVBAGLBSA-N 296.802 3.840 30 20 CHED CC[C@@H](C)CC=NNc1nc(C(F)(F)F)cs1 834964146 IUNNXSRIQWCEKC-SSDOTTSWSA-N 265.304 3.996 30 20 CHED C[C@@H]1CC[C@H](C(=O)O[C@H](C)C(C)(C)C#N)C[C@H]1C 835246202 UMRWFICJYZLKIN-LPWJVIDDSA-N 251.370 3.540 30 20 CHED C=CC[C@@H](C(=O)OCCCCC(C)(C)O)c1ccccc1 835432810 WJASJETUBCWPML-MRXNPFEDSA-N 290.403 3.831 30 20 CHED C#CCC[C@H](C)OC(=O)c1oc2ccccc2c1COC 839035731 ZRJSWMUELRHNBG-LBPRGKRZSA-N 286.327 3.538 30 20 CHED Cc1ccc(C(F)(F)C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1 839056190 ZOWNZHXKLYETLS-OCCSQVGLSA-N 293.313 3.712 30 20 CHED CC(C)c1occc1C(=O)Oc1cccc(OCC#N)c1 841344537 YAUKZLDDZRTASN-UHFFFAOYSA-N 285.299 3.525 30 20 CHED CC(Cn1nc(C)cc1C)=NOCC1CCC(F)(F)CC1 842022076 QEGLBDJCUJTBGR-UHFFFAOYSA-N 299.365 3.718 30 20 CHED CCC(=CC(=O)[C@@H](C#N)c1nc(C2CC2)cs1)CC 842942391 YDJHSASOWXCOIT-GFCCVEGCSA-N 274.389 3.943 30 20 CHED C=C(C)CONC(=O)Nc1ccc(COC(C)(C)C)cc1 844555886 IBOSOELIEYTHBS-UHFFFAOYSA-N 292.379 3.631 30 20 CHED C[C@@H]1CCCCCC1=NNc1cc(C#N)cc(Cl)n1 844588076 LKSWHDUOYLDOCJ-SNVBAGLBSA-N 276.771 3.975 30 20 CHED C=C[C@H](C)ONC(=O)CCc1ccc(Cl)cc1Cl 846544676 RSQZPDULPLMMCP-VIFPVBQESA-N 288.174 3.548 30 20 CHED C=C[C@@H](OC(=O)CC[C@H](C)SC)c1ccccc1 851451240 GGODPKRARACMAA-GXTWGEPZSA-N 264.390 3.989 30 20 CHED CC(=NNc1cc(F)cc(Cl)c1)[C@H]1CCCOC1 853395616 DVFWAERLIHHLJJ-JTQLQIEISA-N 270.735 3.694 30 20 CHED CCCCCCC[C@@H](C)NCC1(C(=O)O)CCCC1 854242613 NXLFHEJLTLADAJ-CQSZACIVSA-N 269.429 3.970 30 20 CHED Cc1cc(C)c(/C=C\C(=O)N2CCC[C@@H](CC#N)C2)cc1C 855259405 JXCCUUXRHVTCLZ-TUYSUELWSA-N 296.414 3.777 30 20 CHED N#CCSc1ccccc1C(=O)NCCCC1CCC1 855802127 HKMHBFAIKKXSCK-UHFFFAOYSA-N 288.416 3.612 30 20 CHED CC(C)c1nocc1C(=O)OCCC1(C#N)CCCCC1 860230356 XFEVHAMJCFGXNE-UHFFFAOYSA-N 290.363 3.819 30 20 CHED C=CC(C)(C)CCOC(=O)c1conc1C(C)C 860874874 MYAJQCJVARGRFT-UHFFFAOYSA-N 251.326 3.557 30 20 CHED CO[C@@](C)(C=NNc1cc(Cl)ccc1F)C1CC1 872418438 PQEKGWLVSOKNHU-ZDUSSCGKSA-N 270.735 3.692 30 20 CHED C=CC(C)(C)CC(=O)NCC1(CCOCC)CCCC1 879161172 UBCGDVMQBJVGLT-UHFFFAOYSA-N 281.440 3.692 30 20 CHED CC(C)C1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1 888359516 JFOREKJSTRMGAP-UHFFFAOYSA-N 289.354 3.597 30 20 CHED C=C1CCC(C(=O)Nc2cc(C)ccc2NC(C)=O)CC1 888772659 RWFVGTPTZNDSAS-UHFFFAOYSA-N 286.375 3.638 30 20 CHED C=CC1(OC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 893365377 KUKSLSGUFOMTOG-UWVGGRQHSA-N 262.271 3.617 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)Oc3ccccc32)c1 894036484 HOKIUCPYFRLNMO-IUODEOHRSA-N 279.343 3.586 30 20 CHED C=C1CN(C(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)C1 898695567 DVQTUHTXOILEHX-OAHLLOKOSA-N 294.398 3.726 30 20 CHED CC(C)[C@@H](C)[S@@](=O)CCCCC1(C#N)CCC1 899281067 WFISXWMDLJJOMQ-DYVFJYSZSA-N 255.427 3.644 30 20 CHED C=CCC1(O)CCN(C(=O)CCCC2CCCCC2)CC1 899586710 FXIBJMWDECRPRS-UHFFFAOYSA-N 293.451 3.667 30 20 CHED O=C(CC[C@@H]1CCCO1)N(O)Cc1cccc2ccccc12 900092101 YESKGVLBNKHWIC-INIZCTEOSA-N 299.370 3.517 30 20 CHED CCO[C@@H]1CCC[C@@H](N[C@H](CCC#N)c2ccccc2)C1 902884947 QCRLNLDSFSCGCZ-KZNAEPCWSA-N 286.419 3.969 30 20 CHED C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(C#N)c(F)c1 903427144 FEIJTPKLKOHNLQ-KPZWWZAWSA-N 295.361 3.894 30 20 CHED N#Cc1cnc(/C=C/c2cccc(OC3CCCC3)c2)cn1 905079645 CRRJYYDQEQQWAN-CMDGGOBGSA-N 291.354 3.840 30 20 CHED CC(=NNc1nccc2sccc12)c1scnc1C 915979889 NISSVRUPYGRZMV-UHFFFAOYSA-N 288.401 3.897 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2nccc3sccc23)cc1 915980563 UKPFWHXCPQIHKJ-UHFFFAOYSA-N 298.327 3.651 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1ccccc1F 916249447 NWKBSDXVDZSDDQ-UHFFFAOYSA-N 273.267 3.570 30 20 CHED CCC(C=NN1C(=O)c2cccc3cccc(c23)C1=O)CC 916306197 PCNKAVXKKXSNIO-UHFFFAOYSA-N 294.354 3.858 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)c1 919903136 DQBGNAPQGLVGPW-UKRRQHHQSA-N 270.376 3.616 30 20 CHED O=C1/C(=C/c2ccc(F)cc2)COc2c(F)cc(F)cc21 920065847 CWSDCFFTXUHKRJ-BJMVGYQFSA-N 290.240 3.763 30 20 CHED CN(CCCC/N=C\c1ccccc1O)c1ccccc1 920172780 JWVIUNDAHNOUNT-CYVLTUHYSA-N 282.387 3.728 30 20 CHED CCOc1ccc(C=Nc2ccc(OC)cc2)c(O)c1 920946208 RZBDIEILBHMAOA-UHFFFAOYSA-N 271.316 3.550 30 20 CHED Cc1ccc2c(c1)CCC2=NNC(=S)Nc1ccccc1 921254396 ZUPGWNVGMDJRJH-UHFFFAOYSA-N 295.411 3.632 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cccc(-n2cnnc2)c1 925710759 WJNJARKYTKMNAG-LSDHHAIUSA-N 284.407 3.663 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1Cc2ccc(Cl)cc2C1 926359629 GVDAMSGNESAKMY-ABAIWWIYSA-N 276.811 3.725 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccc2occc2c1 926685728 QCFYMRSCLVEQJG-GFCCVEGCSA-N 256.349 3.851 30 20 CHED CCc1ccc([C@H](NCC2(C#N)CC2)c2cccnc2)cc1 926874356 PSVBDTDHGQLRLM-SFHVURJKSA-N 291.398 3.627 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(Cl)c(NC(C)=O)c1 930694669 UNMZADWEVBLUQX-LLVKDONJSA-N 294.782 3.839 30 20 CHED Cc1cccc([C@H](O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 930764441 MXMZAHWTFGFHEF-HNAYVOBHSA-N 294.398 3.593 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)Cc1ccc(OC)c(C)c1 931873524 POAPSBHITBLBJJ-AWEZNQCLSA-N 275.392 3.564 30 20 CHED CC(C)CN(Cc1ccccn1)[C@H](C#N)c1ccccc1 932448649 UROUAFKGTIVCAE-GOSISDBHSA-N 279.387 3.804 30 20 CHED C=CCCCSCCC(=O)Nc1cccc(C#N)c1 1116140772 SJQXJVMCQHTHLC-UHFFFAOYSA-N 274.389 3.586 30 20 CHED Cc1ccc(C(=O)NCC(C(C)C)C(C)C)cc1C#N 1128235452 FJMSYTIMQNJCIT-UHFFFAOYSA-N 272.392 3.525 30 20 CHED CCCC[C@H](C(=O)N(CC)[C@@H](C#N)CC)C(C)C 1134426218 XKYXICFWRXYMKO-KGLIPLIRSA-N 252.402 3.599 30 20 CHED COc1cccc2c1CC[C@H](Nc1cc(C)cc(C#N)c1)C2 1206269590 CREJSMGSAXQQEG-INIZCTEOSA-N 292.382 3.845 30 20 CHED Cc1ccc(NC(=O)Nc2cc(C#N)c(F)cc2F)cc1 1219882991 AQVGSGFFIYJVCS-UHFFFAOYSA-N 287.269 3.789 30 20 CHED CCOC(C)(C)CNc1c(Br)cccc1C#N 1307095258 BBTZERLYTZGJNQ-UHFFFAOYSA-N 297.196 3.548 30 20 CHED CC[C@H]1CCC[C@@H]1NCc1ccc(Cl)cc1C#N 1307684719 ULSXCTUMDVEELB-NHYWBVRUSA-N 262.784 3.880 30 20 CHED C=CCCC(=O)Nc1nc2ccccc2n1C(C)(C)C 1321426332 FERLYZKRENEKHF-UHFFFAOYSA-N 271.364 3.696 30 20 CHED C=C(Cl)CNC(=O)c1[nH]c2ccc(C)cc2c1Cl 1323024158 VQPHVENBAQOSKX-UHFFFAOYSA-N 283.158 3.612 30 20 CHED COc1ccc(O)c(/C=N/Cc2cccc(C(F)F)c2)c1 1325944321 UEYQNQUKGSADAR-VXLYETTFSA-N 291.297 3.958 30 20 CHED COc1ccc(CCCN[C@@H](C)CC(C)(C)C#N)cc1 1332384165 GLNGCNXZJIYFED-AWEZNQCLSA-N 274.408 3.546 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccnc(Cl)c1Cl 1339280528 RFSGIHRQRYVLKG-SNVBAGLBSA-N 299.201 3.959 30 20 CHED C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N(C)CCCC 1340316339 OWRAAEJCSQFSGU-GFCCVEGCSA-N 298.381 3.603 30 20 CHED Cc1cccnc1CSCCOc1ccc(C#N)cc1 1341836244 HTKJIHIEZDLXHK-UHFFFAOYSA-N 284.384 3.574 30 20 CHED C[C@@]1(COC(=O)C2(c3cccc(C#N)c3)CC2)C[C@@H]2C[C@@H]2C1 1344812737 KYZCJCPDNYOZNS-HWWDLCQESA-N 295.382 3.569 30 20 CHED C=CCC1(c2nnc(-c3ccc4c(c3)OCCO4)o2)CCC1 1348920096 KXHYRXNNRIDXCR-UHFFFAOYSA-N 298.342 3.506 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1nc(C(C)(C)C)cs1 1349645881 CIWVVQYPOVXGES-LLVKDONJSA-N 277.437 3.785 30 20 CHED C=C(CC(C)C)C(=O)N(C)C1CCC(F)(F)CC1 1349844875 DQTRBWYLASCGAJ-UHFFFAOYSA-N 259.340 3.625 30 20 CHED C=C[C@H](C(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1)c1ccccc1 1352273916 WKCANZNQAUVEJD-KSZLIROESA-N 281.399 3.603 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H]1CC[C@H](C)C[C@H]1C 1354002158 HHDUTQHTPLWYGZ-YWPYICTPSA-N 287.359 3.548 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(CC)[C@@H](C#N)CC)cc1 1355088164 IBKREPAWQGOFRC-CZUORRHYSA-N 272.392 3.503 30 20 CHED Cc1cc2n[nH]cc2cc1Nc1nc(C#N)c(Cl)s1 1458315371 TWMGPNPISMNDGR-UHFFFAOYSA-N 289.751 3.597 30 20 CHED CC(C)[C@H]1CCC[C@@H](NCCc2ccc(C#N)cc2)C1 1461626627 CZEVIHKQIUBJQC-ZWKOTPCHSA-N 270.420 3.905 30 20 CHED C[C@@H]1Sc2ccccc2N(Cc2cc(C#N)ccn2)[C@@H]1C 1473243942 MIKGBXZWVWINTH-OLZOCXBDSA-N 295.411 3.843 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)N3CC(C)(C#N)C3)c21 1477111871 SOSLHTFQNJELQA-LBPRGKRZSA-N 297.402 3.849 30 20 CHED N#Cc1cc(NC(=O)c2ccc3scnc3c2)ccc1F 1529691835 ZLYVHIJTPOLAMV-UHFFFAOYSA-N 297.314 3.559 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)OCc1cc(C#N)ccc1F 1532198666 DEPWGGJUICTVEC-UKRRQHHQSA-N 289.350 3.957 30 20 CHED C[C@H]1CC[C@H](CC(=O)O[C@H](C)c2cccc(C#N)c2)C1 1533365779 YCBRUNWJQNJBDF-MJBXVCDLSA-N 271.360 3.989 30 20 CHED CC(C)c1coc(NC(=O)c2ccc(Cl)c(C#N)c2)n1 1543904605 YAHNGHCCJAMTCS-UHFFFAOYSA-N 289.722 3.575 30 20 CHED C=CC(C)(C)NCc1ccc(-c2ccccc2C(=O)O)o1 1573346611 DZLHOPUTBKKAFT-UHFFFAOYSA-N 285.343 3.699 30 20 CHED CC(CCc1ccco1)=NNc1ccc(C(=O)O)cc1F 1592552297 UDRXWQGNRQOOPV-UHFFFAOYSA-N 290.294 3.538 30 20 CHED C=CCCCCCNC1(CC(=O)O)CCCCC1 1602719034 KWDBVCXEJIXVRT-UHFFFAOYSA-N 253.386 3.500 30 20 CHED Cc1ccc(C[C@H](C)N(C)CCc2ccc(C#N)cc2)cc1 1615584605 USNDHNZOGPDHOZ-KRWDZBQOSA-N 292.426 3.972 30 20 CHED CC(C)[C@]1(C)C[C@@H]1Nc1ncc(C#N)cc1Br 1642770982 KQMLMYYMIPCBEV-AAEUAGOBSA-N 294.196 3.562 30 20 CHED N#Cc1ccc(CCN2CCCc3cc(F)ccc32)cc1 1644823536 PVIJFVRFZLVDFA-UHFFFAOYSA-N 280.346 3.693 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1C)[C@@H]1CC1(C)C 1654774707 IANJXMOJLMKUMH-JKSUJKDBSA-N 256.393 3.781 30 20 CHED CC[C@@H](CC(F)F)CN1CCc2c(C#N)cccc21 1659079982 BIABOPBCOWBLBQ-NSHDSACASA-N 264.319 3.602 30 20 CHED C=CCC[C@H]1CCC(=NNc2ccc(C(=O)O)cc2)C1 1776013856 SVKUNRTVQBQPHZ-LBPRGKRZSA-N 272.348 3.919 30 20 CHED Cc1cc(Cl)ccc1NN=C1CC[C@H](CC(=O)O)[C@@H]1C 1776104375 DANOZIQXQOXQTM-WDEREUQCSA-N 294.782 3.937 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN([C@H](C)c2ccccc2C)C1 1776153574 IZRLIZINSAAQEF-CRAIPNDOSA-N 287.403 3.799 30 20 CHED C[C@H]1Cc2ccccc2C(=O)/C1=C/c1ccc(C(=O)O)cc1 1776665932 LIPIKKCJBYBWMG-OOIIIRTPSA-N 292.334 3.843 30 20 CHED N#Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 10516472 LCEILFSXRJADCN-LSDHHAIUSA-N 296.757 3.954 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1csc(C(C)(C)C)n1 29723854 NJBPADJQWVZZRM-UHFFFAOYSA-N 299.443 3.944 30 20 CHED COc1ccc(C)cc1CNc1ccc(CC#N)cc1 35046239 WMOGHJZLGFWJDD-UHFFFAOYSA-N 266.344 3.682 30 20 CHED CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 35256357 OLPRLUNOLBOQLG-AWEZNQCLSA-N 280.371 3.808 30 20 CHED COC(=O)c1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 37251263 HVSSZBKCWRHWNK-GFCCVEGCSA-N 280.327 3.518 30 20 CHED C=CCOc1ccccc1C(=O)N(C)Cc1cccc(F)c1 45053734 TVJNSTSUPTVBQZ-UHFFFAOYSA-N 299.345 3.663 30 20 CHED Cc1ccc(/C=C2\COc3c(C)cccc3C2=O)cc1 48985579 URDVJLLUNIJQGV-XNTDXEJSSA-N 264.324 3.962 30 20 CHED N#Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1 55599476 NPIGQLAUSWSAPA-QGZVFWFLSA-N 282.387 3.743 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1cccc(OCC)c1 63404903 MDEZYPRWTAUOAZ-CQSZACIVSA-N 290.407 3.754 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccc(C#N)c1)CO2 63412038 BOORAOIDRMGYMP-SXGWCWSVSA-N 289.334 3.834 30 20 CHED C[C@H](CC#N)NC(=O)c1ccccc1CCc1ccccc1 64318283 DBDITBPXVZWFPJ-OAHLLOKOSA-N 292.382 3.504 30 20 CHED CCc1c(C)sc(NC(=O)c2cccc(C#N)c2)c1C#N 68678047 TUAWQGRNOYYEIW-UHFFFAOYSA-N 295.367 3.615 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(Cl)cc2)c1 84057905 MEMHAVXFBBAMIS-UHFFFAOYSA-N 262.721 3.525 30 20 CHED N#Cc1c(F)cccc1N1CCc2c(F)ccc(F)c2C1 84489078 UAYFEMMUCJIORA-UHFFFAOYSA-N 288.272 3.538 30 20 CHED C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)c1ccc(Cl)s1 85441019 MVDHBRKKCIUWJH-SCZZXKLOSA-N 284.812 3.559 30 20 CHED C[C@H](c1ccco1)N(CCOc1cccc(C#N)c1)C1CC1 86234106 FLNRWQQFHKVSRT-CQSZACIVSA-N 296.370 3.756 30 20 CHED Cc1csc(CSCc2ccccc2C#N)n1 88305768 GWIZFBLOXWRPST-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C=CCCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C 89871203 AOOXXHOSOPJZBO-UHFFFAOYSA-N 285.391 3.776 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccccc1NC(C)=O 92261648 XVPWWMWZBLHNDO-UHFFFAOYSA-N 294.398 3.833 30 20 CHED N#Cc1c(Cl)nsc1Sc1ccc(F)cc1 92582198 AMAOZLZIHGKRQC-UHFFFAOYSA-N 270.741 3.958 30 20 CHED Cc1nsc(NCc2cccc(C(F)(F)F)c2)c1C#N 92912197 IKRMCLWSIPVNCO-UHFFFAOYSA-N 297.305 3.954 30 20 CHED CCO[C@@H]1C[C@@H](Nc2ccc(F)cc2C#N)C12CCCC2 97635739 ASZYPCLVLIDUJG-HZPDHXFCSA-N 288.366 3.847 30 20 CHED N#Cc1c[nH]c2nc(-c3ccccc3Cl)ccc12 98181264 MOIQDALPSFTNKY-UHFFFAOYSA-N 253.692 3.755 30 20 CHED Cc1ccccc1C/N=C\c1cc(Cl)ccc1O 103010842 ZTBVBDQULFCDNZ-YVLHZVERSA-N 259.736 3.973 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCCc1ccccc1 106422239 PTAUQQFESPYGGY-UHFFFAOYSA-N 286.419 3.988 30 20 CHED CCCN(CC#N)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 108785127 TUBUEIUAWQEGKQ-ROUUACIJSA-N 292.382 3.705 30 20 CHED CCCC[C@@H](CC)CC(=O)N(CC)C[C@H](C)C#N 117239286 JNHRBMRYBGRJHT-ZIAGYGMSSA-N 252.402 3.601 30 20 CHED CCOc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 120206053 HRZQHHSHLTYJJN-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED N#CCCn1c(NCc2ccccc2)nc2ccccc21 121014927 AKKLZINRFFHUBB-UHFFFAOYSA-N 276.343 3.562 30 20 CHED Cc1ccccc1-c1nnc(SCCCCC#N)o1 121036857 ZWTGNFVVHVIKJC-UHFFFAOYSA-N 273.361 3.831 30 20 CHED Cc1cccc([C@@H](C)OC(=O)c2ccccc2OCC#N)c1 121828056 JMMMVHOYQPUYLR-CQSZACIVSA-N 295.338 3.815 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 122243538 NAHPXHNEZJOTHN-MRVPVSSYSA-N 282.265 3.562 30 20 CHED C#C[C@@H](C)NCc1ccc(F)c(-c2cccs2)c1 123066731 MERPIUATUQWHET-LLVKDONJSA-N 259.349 3.666 30 20 CHED Cc1cccc([C@H](C)C(=O)[C@@H](C#N)c2nc(C)cs2)c1 123797547 YZPQUWZAHNFKNO-GXTWGEPZSA-N 284.384 3.740 30 20 CHED COc1ccc(/C=C2/CCc3ccc(C)cc3C2=O)cc1O 125415422 MBYZVPQWSUXBFE-GDNBJRDFSA-N 294.350 3.922 30 20 CHED Cc1nnc([C@H](C)S[C@H](C)c2ccc(C#N)cc2)o1 125635355 AEPOMXIXINFBCV-ZJUUUORDSA-N 273.361 3.805 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1ccccc1Cl 126483682 QOSFWZATMHUDCB-LBPRGKRZSA-N 278.783 3.785 30 20 CHED C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CC#N)C1 129059968 OGWMBFZYXTWDGU-GWCFXTLKSA-N 268.282 3.612 30 20 CHED CC(C)Oc1ccc(NC(=O)C2(C#N)CCC2)cc1Cl 129206296 BBOSRMJXAWTQDD-UHFFFAOYSA-N 292.766 3.760 30 20 CHED Cc1cc(C(=O)O[C@H](C)C(C)(C)C#N)c(C)n1C(C)C 131073292 QRPUMJRVJGPXTA-CYBMUJFWSA-N 276.380 3.781 30 20 CHED CC(C)c1ccc(C[C@H](C)NC(=O)C2(C#N)CCC2)cc1 134200827 QQXYKSNKQACSQQ-AWEZNQCLSA-N 284.403 3.551 30 20 CHED C=CCCC(=O)CSc1nc(C)c(C)n1CCCC 134736078 LQOZQPKEHLQOLH-UHFFFAOYSA-N 280.437 3.927 30 20 CHED CC(C)c1ccc(CNCc2ccc(C#N)o2)cc1 135162304 ZOBAXZUSNIHZAM-UHFFFAOYSA-N 254.333 3.564 30 20 CHED CCOc1ccc(NCc2ccc(C#N)cc2F)cc1F 135375371 CDTZQWRLMAVQMS-UHFFFAOYSA-N 288.297 3.847 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2ccccc2c1 136228514 TYCWODPHGYRFDS-INIZCTEOSA-N 252.317 3.718 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 148796581 OKWFWZKXAKNRJT-ARFHVFGLSA-N 276.424 3.744 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(-c2ccccc2F)c1 153118898 WUAYQVZGCNNBNH-UHFFFAOYSA-N 299.349 3.718 30 20 CHED N#C[C@H](COC(=O)/C=C/c1ccccc1)Cc1cccs1 153342715 FOQMLTUWXOGIFX-XVJNWHFHSA-N 297.379 3.687 30 20 CHED CC(C)(C)CC(=O)N[C@H](CCC#N)c1ccccc1 153517986 MDJJRKJTAIZLOS-CQSZACIVSA-N 258.365 3.584 30 20 CHED CCN(Cc1ccc(N(C)CCC#N)cc1)C1CCCC1 153675207 VZUGTHQKMOZVBC-UHFFFAOYSA-N 285.435 3.801 30 20 CHED CC1(C)C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CCO1 160708333 STRNICSDMBYXPN-GFCCVEGCSA-N 298.308 3.947 30 20 CHED C=CC[C@@H](C)N[C@@H]1CCc2cc(Br)ccc2C1 163309930 GEIMLWGSFXWIGF-IAQYHMDHSA-N 294.236 3.861 30 20 CHED N#Cc1cc(NCCOC2CCCC2)ccc1C(F)(F)F 164004326 NNPYSDWLJAKPET-UHFFFAOYSA-N 298.308 3.948 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cnn1C 164822253 LRZSOIMJIMNJSY-DHZHZOJOSA-N 282.387 3.922 30 20 CHED C#Cc1cccc(N(C(=O)c2sc(C)nc2C)C(C)C)c1 170844709 ZNBRSZHBKHTLPE-UHFFFAOYSA-N 298.411 3.796 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCc2cccc(Cl)c21 171557229 SKUSTQIFNRGKSH-LBPRGKRZSA-N 293.794 3.600 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1cc(C)sc1C 175257826 XIVYCFWOGQPEBQ-NSHDSACASA-N 251.395 3.898 30 20 CHED C[C@H]1CSc2ccccc2N1C(=O)c1ccc(C#N)cc1 176644199 OAAYIUPFXXDTCE-LBPRGKRZSA-N 294.379 3.699 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 176861879 WYRAYSDYVUDOQQ-WWGRRREGSA-N 290.382 3.883 30 20 CHED N#Cc1cccc(/C=C2/CCc3cc(F)ccc3C2=O)c1 176940710 PCDWWTRNRUAOOF-DHDCSXOGSA-N 277.298 3.910 30 20 CHED C=CCCCN[C@H](C)c1cccc(OC(F)F)c1 179588486 OTIHQKXSEGKXJL-LLVKDONJSA-N 255.308 3.905 30 20 CHED C=CCSCCN[C@@H]1CC2(CCC2)Oc2ccccc21 180459755 ASVQASICHDJLLR-OAHLLOKOSA-N 289.444 3.942 30 20 CHED CC(C)(C)[C@@H](NCCCC#N)c1ccc(F)cc1F 181629948 KGXOMPKJZODMKY-AWEZNQCLSA-N 266.335 3.945 30 20 CHED C=C(C)CN(C)C(=O)Nc1cccc(-c2nc(C)co2)c1 181791706 NWVJATKOQANNPH-UHFFFAOYSA-N 285.347 3.690 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1N(C)C 182872788 RUTVMTMBHZWVLW-CYBMUJFWSA-N 275.396 3.619 30 20 CHED COCCOc1ccc(SCc2ccccc2C#N)cc1 185065089 KSAHCRUXOHWTFH-UHFFFAOYSA-N 299.395 3.876 30 20 CHED C#CCC(C)(C)C(=O)O[C@H](C)c1ccc(OC(F)F)cc1 185804686 VQGLUMBQESCXQM-LLVKDONJSA-N 296.313 3.942 30 20 CHED C=CCN(C)C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 186133518 ZRWLLSYZYFFFJY-PKNBQFBNSA-N 283.293 3.753 30 20 CHED N#Cc1cccc(CNCCCCCOc2ccccc2)c1 187655349 OJKJYLHMEHSGRG-UHFFFAOYSA-N 294.398 3.897 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C 188414311 FHFUXOFNFSGLGV-YXJHDRRASA-N 271.404 3.993 30 20 CHED CC(C)CCOc1cccc(NCc2cc(C#N)n(C)c2)c1 190876164 BEPKCSWVYSFEQX-UHFFFAOYSA-N 297.402 3.934 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](C)COCc1ccccc1 190973543 UTCYYEIJZQTNOP-CRAIPNDOSA-N 289.419 3.558 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cn(C(C)(C)C)nn2)cc1C 191229255 XBRBIGLWWGXZOA-BQYQJAHWSA-N 297.402 3.854 30 20 CHED CC#CCCCC(=O)Nc1cc(F)ccc1OCC1CC1 192171580 NHVVRHLLIZODGV-UHFFFAOYSA-N 289.350 3.747 30 20 CHED C#CCCCNCc1ccc(Br)c(Cl)c1 192186745 KIWVDIQNNGMAEL-UHFFFAOYSA-N 286.600 3.606 30 20 CHED N#Cc1ccc(COc2cccc3ncccc23)c(F)c1 192816100 MOQCMQOMKWAWLQ-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C=CCN(CC=C)C(=O)c1cc(Cl)ccc1NCC 193123788 SWCABKAWSCOMHC-UHFFFAOYSA-N 278.783 3.586 30 20 CHED C=CCC[C@H](NC(=O)C[C@@H]1CCCOC1)c1ccccc1 193617829 MOLKKUIZRFHLLB-RDJZCZTQSA-N 287.403 3.627 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1ccc(-n2cccn2)cc1 194589882 PZKBHZPCRGTRCI-DHZHZOJOSA-N 299.333 3.640 30 20 CHED CCC(CC)Sc1ncc(Br)cc1C#N 211561970 AKKQQLXNZOUKIH-UHFFFAOYSA-N 285.210 3.996 30 20 CHED C=C(CC)COc1cc(Br)ccc1C(C)=O 222832303 XGTCWNVLZYGGTM-UHFFFAOYSA-N 283.165 3.997 30 20 CHED CCOc1ccccc1NCc1cccc(C#N)c1F 223727621 ZOUVUZCAFVIBPT-UHFFFAOYSA-N 270.307 3.708 30 20 CHED N#Cc1cccc(CNC[C@@H]2CCC3(CCCCC3)O2)c1 229274347 GZZNWCGQSUFCCG-KRWDZBQOSA-N 284.403 3.530 30 20 CHED CCC1(CC)CCN(Cc2cc(F)ccc2C#N)C1 229960336 CYYXEYQEMIULJE-UHFFFAOYSA-N 260.356 3.709 30 20 CHED C=C(C)[C@H](N[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(F)c(F)c1 248543306 CZBVJZVBPVHICV-QEORTHHSSA-N 294.389 3.654 30 20 CHED C(=NNc1nncc2ccccc12)c1c[nH]c2ccccc12 252640022 YPOHDWOWUOHGKP-UHFFFAOYSA-N 287.326 3.557 30 20 CHED Cc1ccc(Cl)c(N=Cc2ccc(O)c(O)c2O)c1 254929353 CBXSVVJQKNRNAI-UHFFFAOYSA-N 277.707 3.516 30 20 CHED CCC[C@@H](NC(=O)[C@H](C)ON=C1CCC1)c1ccccc1 267457219 SEDZBWFNLYYAIE-XJKSGUPXSA-N 288.391 3.589 30 20 CHED Cc1nnc([C@H](C)Sc2ccc(C#N)cc2Cl)o1 268310178 ZDHYOWGLPBYKIX-ZETCQYMHSA-N 279.752 3.756 30 20 CHED C=C[C@@H](CC(=O)N(CC)Cc1ccncc1)c1ccccc1 270353219 PCEMPVGYJBAXCE-KRWDZBQOSA-N 294.398 3.790 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CCO[C@@H](C)C1)c1ccccc1 271841680 AYDIFDBWXDGEAD-XIRDDKMYSA-N 287.403 3.625 30 20 CHED C=CCC(CC=C)c1nc([C@H]2CCCS2)no1 274087065 GUNFDWMLTVRNGZ-LLVKDONJSA-N 250.367 3.874 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2Cc2ccccc2)C1 274648485 SKYOFBBHPVOBPW-VSZNYVQBSA-N 268.404 3.680 30 20 CHED CCn1nc(N[C@@H](C)c2cccc(C#N)c2)cc1C1CC1 276151511 DXLOISGZHXMCAE-LBPRGKRZSA-N 280.375 3.825 30 20 CHED C[C@H](NCc1ccc2c(n1)CCCC2)c1cccc(C#N)c1 277605534 MXASUWUFWJYZAI-AWEZNQCLSA-N 291.398 3.683 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC[C@H](C)c1ccc(F)cc1 280618776 KUANMVFSWFLHRN-LXZKKBNFSA-N 277.383 3.500 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cccc(C)c1 280652032 OFPGYZDWHHABAO-UAGQMJEPSA-N 259.393 3.627 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(F)c(C#N)c1 284849648 JFUFOUNFQQLECJ-GFCCVEGCSA-N 288.366 3.738 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)C(C1CCC1)C1CCC1 285571343 UNUDATIROGTLLE-UHFFFAOYSA-N 296.414 3.733 30 20 CHED Cc1cc(C)c(C#N)c(SCOC2CCCC2)n1 289769460 WBLCTMMSQDYTDE-UHFFFAOYSA-N 262.378 3.579 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1cc(C#N)ccc1OC 289931336 WCNRBGTWYVTNFF-GFCCVEGCSA-N 289.379 3.609 30 20 CHED Cn1cc(CN2CC(C)(C)[C@@H]2c2cccs2)cc1C#N 290235551 UCPBYWRMPOVNQU-HNNXBMFYSA-N 285.416 3.541 30 20 CHED C[C@H](NC(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 291904258 LMYKSNUNHLRYBE-JTQLQIEISA-N 284.281 3.576 30 20 CHED Cc1nc(C(C)C)ccc1CN(CCC#N)CC1CC1 292711762 FCTTZKKHSCKQRM-UHFFFAOYSA-N 271.408 3.639 30 20 CHED C=CCOc1ccc(CC(=O)N(C)[C@H](C)c2ccco2)cc1 294204946 BZOXNDBPKJFDSL-CQSZACIVSA-N 299.370 3.607 30 20 CHED N#Cc1c(Cl)cccc1N[C@H]1CCO[C@H](C2CC2)C1 295059318 PFKHSCAFVWWKJP-NHYWBVRUSA-N 276.767 3.581 30 20 CHED C[C@@H]1C[C@@H](NCC(C)(C)CCC#N)c2ccccc2O1 295084936 QVFZSLIUSABULW-UKRRQHHQSA-N 272.392 3.818 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccccc1SC 296123914 FSUUMNSWHOBXOL-UHFFFAOYSA-N 263.406 3.579 30 20 CHED C=CCCc1noc(C2(c3ccc(C)cc3)CCOCC2)n1 296240695 ATLSVCUSUHQJRQ-UHFFFAOYSA-N 298.386 3.593 30 20 CHED N#Cc1ccc(NCC2(c3cccc(Cl)c3)CC2)nc1 301335435 CTBZMXXUWYGSRU-UHFFFAOYSA-N 283.762 3.750 30 20 CHED N#Cc1cccc(N[C@H]2CC[C@@H](Cc3ccccc3)C2)n1 302476494 FFDDDAJJSPTWEO-HOTGVXAUSA-N 277.371 3.777 30 20 CHED N#Cc1cccc(C#N)c1NC1CC(c2ccccc2)C1 302911320 ZOFYNWHGCWOATL-UHFFFAOYSA-N 273.339 3.788 30 20 CHED CCc1ccc(N/C(N)=N/C[C@H](C)c2ccccc2)cc1 303789007 UYPVXOCIPKXEAX-AWEZNQCLSA-N 281.403 3.779 30 20 CHED Cc1cc(C#N)cc(NC(=O)C(C)(C)C2CCC2)c1 308145158 XQVSHMDNSXGSEJ-UHFFFAOYSA-N 256.349 3.632 30 20 CHED Cc1cc(N[C@H](C)CCOCc2ccccc2)cc(C#N)n1 308273946 AMJRAOKSPASRIS-CQSZACIVSA-N 295.386 3.669 30 20 CHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Br)s1 309839334 CJDDFKAHRFDPLT-UTLUCORTSA-N 299.237 3.853 30 20 CHED CCC[C@H](C)N(C)c1nc(C)c(C#N)cc1Cl 310502266 IGDRKCZLNFWABI-VIFPVBQESA-N 251.761 3.540 30 20 CHED C[C@H](CCc1ccc(O)cc1)Nc1cccc(CC#N)c1 313431686 WOPHGEOZSVHMKE-CQSZACIVSA-N 280.371 3.891 30 20 CHED CCCCOc1ccc(C(=O)NCC(C)(C)CC#N)cc1 315430414 PBJGBGVKHBEXCZ-UHFFFAOYSA-N 288.391 3.535 30 20 CHED CC[C@@H](Cc1ccccc1)Nc1ccc(C#N)cc1[N+](=O)[O-] 316622093 RUQKPLKIXZFANR-HNNXBMFYSA-N 295.342 3.900 30 20 CHED CC1(C)C(/C(O)=N/CCc2cnc(C3CC3)nc2)C1(C)C 328880096 VOWNFLFPMUIUDB-UHFFFAOYSA-N 287.407 3.535 30 20 CHED CC[C@H]1CCc2nc(N=C(O)C[C@@H]3CCOC3)sc2C1 329862764 YTWRFVJTRSJXLL-QWRGUYRKSA-N 294.420 3.673 30 20 CHED CCc1ccc(N/C(O)=N/C2(CC)CCOCC2)cc1 330702743 KFBMQBXDDPNVDT-UHFFFAOYSA-N 276.380 3.534 30 20 CHED CCn1nccc1N/C(O)=N/[C@H](C)CC1CCCCC1 331141539 MFTWTSAKYCOOSO-GFCCVEGCSA-N 278.400 3.588 30 20 CHED C[C@H]1CC2(CCC2)CN1C(=O)c1cc(C#N)ccc1Cl 334398999 DQBZSUUZRITOQO-NSHDSACASA-N 288.778 3.616 30 20 CHED CN(CC(C)(C)C#N)C(=O)c1c(Cl)cccc1Cl 335084366 VGVOOBAAJFOTPR-UHFFFAOYSA-N 285.174 3.615 30 20 CHED CC(C)[C@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1 337377145 BSXUCFKODUGCEV-BBRMVZONSA-N 273.355 3.556 30 20 CHED COCC1(CCNc2c(Cl)cccc2C#N)CCC1 338736173 MAADSEPKTQHFMF-UHFFFAOYSA-N 278.783 3.830 30 20 CHED N#Cc1cc(C(=O)Nc2ccc3scnc3c2)ccc1F 340760684 XMOVBTJWESPDHF-UHFFFAOYSA-N 297.314 3.559 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1cc(C#N)ccn1 342833283 YDBQDJWQHWIRAF-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED C=CCC(CC=C)C(=O)Nc1scc(C)c1C#N 344895663 NRCGWIYHJSXXCV-UHFFFAOYSA-N 260.362 3.635 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)C1CCC(F)(F)CC1 345900203 CQDBVWWLDPKWME-CYBMUJFWSA-N 259.340 3.625 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H](C)c2cccc(O)c2)c1 347430090 MXZFDPPGBMTJKZ-NSHDSACASA-N 280.327 3.640 30 20 CHED C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C 348931372 AYFREDQZRZWTMS-XUJVJEKNSA-N 271.364 3.504 30 20 CHED CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N(C)CCC#N 350101507 XBJNFBOEYFDTPP-CSLYMUCUSA-N 290.451 3.991 30 20 CHED N#CCc1ccc(CSCCOCC(F)(F)F)cc1 350652942 KRHNIRGBNDUBLG-UHFFFAOYSA-N 289.322 3.565 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 351738548 WXLVXONGILNOGH-CYBMUJFWSA-N 287.407 3.587 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccnc(Oc2ccccc2)c1 352838705 MDDFWGPLQIXXQO-QGZVFWFLSA-N 295.342 3.752 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 352944413 XSWDHKFYGLBDLD-YHUYYLMFSA-N 288.435 3.744 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnc2c(C)cccn12 353420915 IINOMXQQKYUSNI-UHFFFAOYSA-N 298.434 3.795 30 20 CHED C[C@H](C1CCC1)N(C)C(=O)C[C@H](CC#N)c1ccccc1 356692284 DKGZDKRNOKWHRV-PBHICJAKSA-N 284.403 3.721 30 20 CHED C=CCCCC(=O)Nc1ccc(CN(C)C)c(Cl)c1 357942020 JMVDEEVQCJLDMC-UHFFFAOYSA-N 280.799 3.696 30 20 CHED C=C(CC)CN(C)[C@H](C)c1sc(CC)nc1C 358509935 NVIFIVSOJHTKJY-GFCCVEGCSA-N 252.427 3.973 30 20 CHED C=C(CC)CN(C)[C@@H](C)c1sc(CC)nc1C 358509940 NVIFIVSOJHTKJY-LBPRGKRZSA-N 252.427 3.973 30 20 CHED Cc1ccc(CN(C)c2nc(C)c(C#N)cc2Cl)s1 359885172 XCIGKUZCDXRZGM-UHFFFAOYSA-N 291.807 3.921 30 20 CHED C=CCSc1ccccc1C(=O)Nc1ccc(C)cn1 362537194 GFKHPNYUFBCACR-UHFFFAOYSA-N 284.384 3.920 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H]1CN1CCCCC1 364350511 GOSJCSUEVXMOTR-KRWDZBQOSA-N 291.483 3.657 30 20 CHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)s1 381288599 CJDDFKAHRFDPLT-IVZWLZJFSA-N 299.237 3.853 30 20 CHED Cc1cc(N[C@H]2CC[C@H](C#N)C2)ccc1Br 381561847 RNRCJRFPMOXSMN-JQWIXIFHSA-N 279.181 3.862 30 20 CHED Cc1csc(NC(=O)[C@@H]2C[C@H]2CC(C)C)c1C#N 410854818 ALTSHRPYNIPOPS-GHMZBOCLSA-N 262.378 3.549 30 20 CHED Cc1ccc(Cl)cc1NC(=O)[C@H](C)SCCC#N 413009316 CANBBAWDSCOAET-JTQLQIEISA-N 282.796 3.622 30 20 CHED Cc1cc(C)c(NC(=O)CSCCC#N)c(Cl)c1 413013505 OHMIVLYKHLYDSL-UHFFFAOYSA-N 282.796 3.542 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NCc1cccc(C#N)c1 413105359 NQAORAYTLVXRJN-JKSUJKDBSA-N 299.418 3.572 30 20 CHED N#CC1(CSCC(=O)NCCC2CCCCC2)CCC1 419580136 KPJOERUAWAKYBS-UHFFFAOYSA-N 294.464 3.500 30 20 CHED C=CCCCc1nc(-c2ccsc2Cl)no1 420503593 NYDOBHDAEZXEMU-UHFFFAOYSA-N 254.742 3.960 30 20 CHED N#Cc1ccc(CNc2cnc3c(c2)CCCC3)cc1F 421350907 YYZFADKQUHYKGD-UHFFFAOYSA-N 281.334 3.583 30 20 CHED C[C@H](CCc1c(F)cccc1F)N[C@@H]1CC[C@H](C#N)C1 424335014 WFZOXSMZZNVKJS-FRRDWIJNSA-N 278.346 3.568 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC(C)(C)C 425127288 IMBBFTLKHYLXPU-LBPRGKRZSA-N 258.365 3.514 30 20 CHED C[C@H](Nc1ncc2c(c1C#N)CCC2)c1ccccc1 425197607 CAYFTQWKEPTJSV-LBPRGKRZSA-N 263.344 3.615 30 20 CHED N#Cc1c(NC[C@H]2CCCCC2(F)F)ncc2c1CCC2 425269728 RLYGSQKPZBXRGQ-GFCCVEGCSA-N 291.345 3.679 30 20 CHED C=CCN(C)C(=O)CCC(=O)c1csc2ccccc12 427948333 HEPFFVLZLYPZFP-UHFFFAOYSA-N 287.384 3.509 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)NCC2(CC#N)CC2)c(C)c1 431060472 YWGFGTSWXBGVMN-OAHLLOKOSA-N 299.418 3.700 30 20 CHED N#Cc1ncccc1NC[C@@H](c1ccccc1)C1CC1 431491433 VEAUHZFDAUOPMR-HNNXBMFYSA-N 263.344 3.559 30 20 CHED C=CCCC(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 432331480 NILGBKIMDOJPNB-KRWDZBQOSA-N 299.414 3.997 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1ccc2ncccc2c1 432558662 PKGGWUKKDUKBMK-UHFFFAOYSA-N 297.402 3.636 30 20 CHED C=CC[C@H](CC)Nc1cc(-c2ccccc2)nc2ncnn12 440637474 NXQZXXXTNBMCCY-AWEZNQCLSA-N 293.374 3.558 30 20 CHED C=CC[C@H]1N(C[C@@H]2CCCCO2)CCCC1(C)C 444779015 XCZKWKWAJXBWAE-LSDHHAIUSA-N 251.414 3.622 30 20 CHED CC[C@H](N=c1ccn(CCC(C)C)[nH]1)c1ccc(C#N)cc1 447604019 ZXQFSRJDDMCXIB-KRWDZBQOSA-N 296.418 3.786 30 20 CHED C=CCC[C@@H](C)Nc1cccc2c1OCC[C@@H]2OC 448026272 HOYWDUAOAZBQHP-DOMZBBRYSA-N 261.365 3.923 30 20 CHED N#CCc1cccc(NC[C@@H]2C[C@H]2c2ccccc2)c1 449698244 MXJJOJPKDRFALV-WMZOPIPTSA-N 262.356 3.968 30 20 CHED N#CC1(CN(Cc2ccc(Cl)cc2)C2CC2)CCC1 450271573 RJENPSQSBAVMBW-UHFFFAOYSA-N 274.795 3.998 30 20 CHED CCCc1nc(C)c(COc2cc(F)cc(C#N)c2)o1 450964636 VTMKESZQSXFWSN-UHFFFAOYSA-N 274.295 3.525 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 451392615 JJKAWDZODHQQNX-QTTZVWFDSA-N 287.121 3.621 30 20 CHED CC1(CC(=O)Nc2ccc(CC#N)cc2Cl)CC1 452647220 GTCQUHVBNGDMQU-UHFFFAOYSA-N 262.740 3.535 30 20 CHED C=C(C)CCNC(=O)[C@@H](C)CSCc1ccccc1 452717764 MXAWROSJQWMMFM-AWEZNQCLSA-N 277.433 3.638 30 20 CHED C=CCCOCCCCC(=O)NC1(CC)CCCC1 452979088 UIGXKLOYBWRCBT-UHFFFAOYSA-N 267.413 3.588 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(NC(C)=O)cc1OC 453310107 QVILGRQQLFTTEZ-GFCCVEGCSA-N 290.407 3.516 30 20 CHED CC#CCN(C)C(=O)Nc1ccc(CCCC)cc1 454161274 GHNRQZFWDJINGS-UHFFFAOYSA-N 258.365 3.516 30 20 CHED C=C(CC)CNC(=O)Nc1cccc(SCC)c1 454790454 JKMUUJIRCKBEJL-UHFFFAOYSA-N 264.394 3.886 30 20 CHED CN(CC(C)(C)C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 455318975 GZBFBIHBXTTZHE-UHFFFAOYSA-N 286.419 3.631 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc2c(n1)CCC2 455878873 BAVBKQBBPWBHHG-UHFFFAOYSA-N 287.407 3.780 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2scnc2C(C)(C)C)c1 456971837 UMGFVWOFEVHYQW-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)NCCCC#N 458645501 JKOPGWPVZYYQTI-AWEZNQCLSA-N 267.417 3.681 30 20 CHED CC1(C)[C@@H](CN[C@H]2CC[C@H](C#N)C2)[C@@H]1c1ccccc1 459707455 JHHLELGIOGYVKT-HJWJTTGWSA-N 268.404 3.708 30 20 CHED CCC1CCC(N(C)C(=O)[C@@]2(C#N)CC23CCCC3)CC1 459963524 RTLFEIDHRIZYIF-JMLCCBQJSA-N 288.435 3.888 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCC[C@H]1CC 460381075 AYPYVOHLNCOGGO-CQSZACIVSA-N 276.428 3.576 30 20 CHED CC(C)c1cnc(NC(=O)[C@H](C)c2cccc(C#N)c2)s1 462192449 UZGGDRVPNPMINX-LLVKDONJSA-N 299.399 3.880 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1ccc(F)c(C#N)c1 463746497 QNIPUZXOFMVVDN-UHFFFAOYSA-N 277.343 3.597 30 20 CHED CC#CCCCC(=O)Nc1cccc(-n2cccc2)c1 464564333 UQXLADKWTDVJQB-UHFFFAOYSA-N 266.344 3.609 30 20 CHED C=C[C@@H](C)NC(=O)N(C)CCc1cccc2ccccc12 464752121 NQDVSPLGWTXFOD-CQSZACIVSA-N 282.387 3.598 30 20 CHED C=CC[C@H](CC)NC(=O)C1(c2ccccc2)CCCC1 466535930 KBPDTZCKGFRLNZ-INIZCTEOSA-N 271.404 3.969 30 20 CHED C=CCCN(C)C(=O)C(C)(C)Oc1cccc(Cl)c1 466641352 LSTWACNKMCBHIV-UHFFFAOYSA-N 281.783 3.532 30 20 CHED C=CCC(CC=C)C(=O)NCCc1ccc(F)cc1Cl 467323506 REUKRJOKZKULMI-UHFFFAOYSA-N 295.785 3.906 30 20 CHED C=CCOCCCN[C@H](C)[C@H](OC)c1ccccc1Cl 470774369 SLOBYHAWICROIG-CJNGLKHVSA-N 297.826 3.598 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccc(C#N)cc21 476450267 ALPZRZMNOXUQIQ-HOCLYGCPSA-N 282.387 3.664 30 20 CHED C=C(C)CN(C)Cc1coc(-c2ccc(C)cc2)n1 481271324 SRHWJDADZUZBNR-UHFFFAOYSA-N 256.349 3.658 30 20 CHED C=C(C)[C@@H](NCCCOCC)c1ccc(F)c(F)c1 481599060 OLZTXBGKFPUHSX-OAHLLOKOSA-N 269.335 3.598 30 20 CHED CC#CCCNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 483423277 SQZJOTNXGJNBGL-OAHLLOKOSA-N 290.794 3.600 30 20 CHED N#Cc1csc(/C=C\c2nc3cc(C(=O)O)ccc3o2)c1 485975469 JUWTYUMDCUCQDK-RQOWECAXSA-N 296.307 3.630 30 20 CHED C=C(C)CNC(=O)c1csc(-c2cccc(Cl)c2)n1 490045071 SUNYTBZQEFOMTN-UHFFFAOYSA-N 292.791 3.769 30 20 CHED C=CCn1cccc1C(=O)N(C1CC1)[C@H](C)c1ccco1 490081088 QOVCOFYSXPZUPC-CYBMUJFWSA-N 284.359 3.633 30 20 CHED C#C[C@H](NCc1cccc(O)c1)c1ccc(Cl)cc1 491727073 KRHNUOGWYWOUCV-INIZCTEOSA-N 271.747 3.510 30 20 CHED C#CCN(C)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C 491778957 JPJLXTHYTDFHOP-UHFFFAOYSA-N 282.343 3.660 30 20 CHED C=CCCC[C@@H](C)NCc1nc(CCC)cs1 494192423 QUVVQVLFXKIIOH-GFCCVEGCSA-N 252.427 3.930 30 20 CHED CCC(CC)(CNC(=O)CC(C)(C)C#N)c1ccccc1 499344554 SFCLBJDXHICHJC-UHFFFAOYSA-N 286.419 3.800 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 502735760 HOHOKLBHWJZVOO-QDEZUTFSSA-N 284.403 3.808 30 20 CHED N#Cc1c(F)cccc1N1CC[C@H](COc2ccccc2)C1 503314867 KEBUTHNASRLQFH-AWEZNQCLSA-N 296.345 3.603 30 20 CHED C=CCOCCCN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C 503412036 SSJNJJBKSOWVAP-XJKSGUPXSA-N 279.811 3.757 30 20 CHED CCc1ccc(CN(C)Cc2ccc(C#N)cc2F)cc1 505615509 ZVBGKCCCJAUKEG-UHFFFAOYSA-N 282.362 3.892 30 20 CHED C=C(C)CCc1noc(COc2ccc(F)cc2Cl)n1 508638606 RVLBFEMARVUIQB-UHFFFAOYSA-N 296.729 3.950 30 20 CHED C=C(C)CCN1CCC(Nc2cccc(OC)c2)CC1 509664270 HCMDUQRJOOVUBW-UHFFFAOYSA-N 274.408 3.538 30 20 CHED CC[C@H](C)CCC(=O)N[C@@H](C#N)c1ccccc1Cl 512280849 XYMCEILREPYLAU-FZMZJTMJSA-N 278.783 3.847 30 20 CHED CC1(c2ccccc2)CC(Nc2c(C#N)cccc2C#N)C1 512404278 FYAYNKYGMAVLQC-UHFFFAOYSA-N 287.366 3.962 30 20 CHED COc1ccc(COc2ccccc2C#N)cc1Cl 513296432 GVWOROMWAJCIIE-UHFFFAOYSA-N 273.719 3.799 30 20 CHED CCC(CC)(CNC(=O)[C@](C)(C#N)CC)c1ccccc1 513627912 AZVQFGWWANNVGT-KRWDZBQOSA-N 286.419 3.800 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CC2=CCCCC2)cc1 515015890 FEGVAVZSHCAEGO-QGZVFWFLSA-N 282.387 3.820 30 20 CHED Cc1cccc(NC(=O)[C@H](C)SCC2(C#N)CCC2)c1 516917064 IELAZCIXPAZTMQ-ZDUSSCGKSA-N 288.416 3.749 30 20 CHED C=CCOCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 520491687 LNDOAVQETWLHNG-GOSISDBHSA-N 289.419 3.826 30 20 CHED C=CC1CCN([C@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 522083906 ZXNRMUQYALNOQI-OAHLLOKOSA-N 286.419 3.528 30 20 CHED C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H]1CC12CC2 527909675 LEVSXNNANOSLLU-VUCTXSBTSA-N 266.388 3.714 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(OCC(F)F)cc1 528768715 CWYAFBSPZYFZLU-UHFFFAOYSA-N 296.317 3.599 30 20 CHED C=C1CCN(Cc2ccsc2C(F)(F)F)CC1 529529124 MMRJFZUQSMEIKG-UHFFFAOYSA-N 261.312 3.919 30 20 CHED C[C@H]1c2ccccc2CCN1CCOc1cccc(C#N)c1 530902528 XFQNOVLQJAHSOO-HNNXBMFYSA-N 292.382 3.556 30 20 CHED CO[C@@H]1CCC[C@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 540335214 MJHMOSULFXMKKW-SMDDNHRTSA-N 298.308 3.804 30 20 CHED C=CCN(Cc1cc(C(F)(F)F)ccc1F)C1CC1 541761799 ZKMRDVPMZNVNQM-UHFFFAOYSA-N 273.273 3.995 30 20 CHED N#CCC1CCN(C(=O)C2(Cc3ccccc3)CCC2)CC1 542906144 RFSVEYFWYMRVSM-UHFFFAOYSA-N 296.414 3.552 30 20 CHED CC(C)(C)[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 543243925 BPBCHFDMDINIKF-OAHLLOKOSA-N 259.368 3.545 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC1CCC(C(C)C)CC1 552127790 VCGGNMPSIYOKAH-XUJLQICISA-N 264.413 3.505 30 20 CHED CC#CCN(C)C(=O)C[C@H](C)c1ccccc1C(F)(F)F 554688734 ZIVDJKRVUTZGHI-LBPRGKRZSA-N 297.320 3.681 30 20 CHED C[C@H](NC(=O)NCC1(CC#N)CC1)c1ccc(C2CC2)cc1 557105939 ZZBURUBGOREXJO-ZDUSSCGKSA-N 297.402 3.618 30 20 CHED C=CCCNc1cnn(-c2cc(C)ccn2)c1CCC 558588947 FGLCIBFSYPYOIS-UHFFFAOYSA-N 270.380 3.516 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc2cnn(C)c2c1 558651116 ALQKICWEAQKDBE-MRXNPFEDSA-N 271.408 3.798 30 20 CHED CC[C@H](CC(=O)N1CCC(CCC#N)CC1)C(C)C 563958659 AJJSZCAFQOEMMJ-OAHLLOKOSA-N 264.413 3.601 30 20 CHED CC(C)(C)C[C@@H](Nc1cc(C#N)ncn1)c1ccccc1 566951827 OTNAQUMWCHPHBC-OAHLLOKOSA-N 280.375 3.938 30 20 CHED CC1(C)CCCc2cc(C#N)c(N3CCC[C@H](F)C3)nc21 568812435 OIJDJRMIZCHPIL-AWEZNQCLSA-N 287.382 3.505 30 20 CHED C=CCC1(NC(=O)C2CC3(CCC3)C2)CCCCC1 574086818 JWXNJXFGWWBFJG-UHFFFAOYSA-N 261.409 3.962 30 20 CHED CCC1(CC)CN(c2cc(C#N)ncn2)c2ccccc21 577459527 HUMZOFYTEWOATE-UHFFFAOYSA-N 278.359 3.558 30 20 CHED CC[C@H](CC#N)NCc1cc(Br)ccc1C 578024280 SVKQSLYRDARQHF-CYBMUJFWSA-N 281.197 3.539 30 20 CHED C=CCC[C@H](CC)Nc1cccc(-c2cn(C)nn2)c1 579259123 LJVCGDYAVVXEMF-AWEZNQCLSA-N 270.380 3.639 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(Cl)c(OC)c1 581599926 MERHXLIGLQYTCC-UHFFFAOYSA-N 295.810 3.610 30 20 CHED CC(C)(C)c1cccc(C(=O)N2CCC(CC#N)CC2)c1 584003843 RJDXDPGRTUPRLO-UHFFFAOYSA-N 284.403 3.750 30 20 CHED Cc1ccc(C(=O)Nc2sccc2C#N)c2c1CCC2 584337011 PWOYPRZYFYYEDO-UHFFFAOYSA-N 282.368 3.669 30 20 CHED CC[C@@H](NC(=O)NCC#Cc1ccccc1)C1CCCCC1 586283956 BNWXZBUWZLAITE-GOSISDBHSA-N 298.430 3.696 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 586806906 QYKUGPURXPEIKK-BVIKNXMNSA-N 288.435 3.745 30 20 CHED N#CCCCCCC(=O)N[C@@H]1CCCc2ccccc21 588146931 NVOVGVWHQVGACK-MRXNPFEDSA-N 270.376 3.654 30 20 CHED Cc1ccc(F)c2c1CCCN2C(=O)CCCCCC#N 588925667 VMWAOAATGTVVGV-UHFFFAOYSA-N 288.366 3.887 30 20 CHED C=C(C)COc1cccc(NC(=O)CCc2cccnc2)c1 589382323 PMJLCWOJXRZKAC-UHFFFAOYSA-N 296.370 3.608 30 20 CHED CCc1noc(CSCCC2(C#N)CCCCC2)n1 591380763 RNSCERUWEWRWSS-UHFFFAOYSA-N 279.409 3.729 30 20 CHED N#Cc1ccc(-c2ccc(OC3CCCC3)cc2)cn1 592982721 BHCIXFWVYKMWSH-UHFFFAOYSA-N 264.328 3.942 30 20 CHED CCc1ccc(-c2cccc(C[C@@H](C#N)CO)c2)cc1 592987105 PHVQCKWZMOSZHX-INIZCTEOSA-N 265.356 3.591 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(-c2csc(C)n2)c1 593387382 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CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)c1ccccc1CC#N 601618424 YPORFXWQGZIRMX-IRXDYDNUSA-N 284.403 3.505 30 20 CHED C[C@H](CCC#N)CNCC(C)(C)c1ccc(F)cc1 602534221 HNPCETWNULQHRG-CYBMUJFWSA-N 262.372 3.633 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CC[C@H](Cc2ccccc2)C1 602631540 YSKFODYGVYBSKT-KBAYOESNSA-N 270.420 3.927 30 20 CHED C[C@H](CCC#N)CNCC(F)(F)c1ccc(Cl)cc1 602656996 WDXGXMOOVOZHOB-LLVKDONJSA-N 286.753 3.961 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(C)c1cccc(C#N)c1 604439164 UXUXAGJNOSBDBH-UKRRQHHQSA-N 270.376 3.737 30 20 CHED C=CCCCN(C)Cc1ccc(OC(F)(F)F)cc1 605149827 ZCZNBWURESVAIK-UHFFFAOYSA-N 273.298 3.983 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cc3occc3s2)n1 606146183 LJKYZRVMKAKUPO-QMMMGPOBSA-N 288.353 3.749 30 20 CHED C=CCCN1CCc2[nH]c3ccc(Cl)cc3c2C1 606897802 BZLFNBIACMQOON-UHFFFAOYSA-N 260.768 3.756 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](C)c1ccccc1C(F)(F)F 607909701 AGDHZCCRVOGEII-GHMZBOCLSA-N 285.309 3.890 30 20 CHED C[C@H](CC(=O)Nc1cc(CC#N)ccn1)CC(C)(C)C 610791427 CUSULZPGIOZYFO-GFCCVEGCSA-N 273.380 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C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1 789830691 AZUGHRXKOOEUFN-ZDUSSCGKSA-N 280.327 3.622 30 20 CHED CC[C@H](C)NN=Cc1cn(-c2ccccc2)nc1C(C)(C)C 790190183 OSEKBYBRWNEYEN-AWEZNQCLSA-N 298.434 3.892 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc(C)s2)CCC1 790489453 BVNUPUBUXVJLKS-GFCCVEGCSA-N 263.406 3.980 30 20 CHED N#CC[C@H](CC(=O)Oc1ccccc1F)c1ccccc1 792864680 JCWPDIOVDFAFOA-CQSZACIVSA-N 283.302 3.819 30 20 CHED CN(CCC#N)c1ccc(CN(CC2CC2)C2CCC2)cc1 793394290 ALRZGZHIXIEKBI-UHFFFAOYSA-N 297.446 3.801 30 20 CHED CC(=NNc1cnn(C)c1)[C@H](C)c1ccc(Cl)cc1 794538638 UEWZIFNMQUDJRM-JTQLQIEISA-N 276.771 3.665 30 20 CHED O=C(/C=C\c1cscc1Br)c1cccnc1 794690620 JZLBTKBFAAUFDG-ARJAWSKDSA-N 294.173 3.802 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1csc3ccccc13)C2=O 794962797 XPSRZPXJKHZWIG-FLIBITNWSA-N 294.379 3.847 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCC(F)(F)C2)n1 796748252 RBYJSAUKASNCFP-NXEZZACHSA-N 298.358 3.878 30 20 CHED C[C@H](Cc1c(Cl)cccc1Cl)NCC1(C#N)CC1 797605594 RPTBYUALWVPFRA-SNVBAGLBSA-N 283.202 3.818 30 20 CHED CSc1ccccc1[C@H](C)/N=C\c1cccc(O)c1O 799743084 VCDHZLOVJFUEIX-MTUBTWAWSA-N 287.384 4.000 30 20 CHED CO[C@H](CSCCO[C@@H](C)C#N)c1ccc(Cl)cc1 802752942 ZAKQOAAEKUQPFD-SMDDNHRTSA-N 299.823 3.689 30 20 CHED CC(C)(C#N)CCCCOC(=O)C(C)(C)C1CC1 805703631 RJWUKSBQAZWACQ-UHFFFAOYSA-N 251.370 3.686 30 20 CHED C#CCCCNC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 806877270 RJBIUKHJJDBQAO-DOTOQJQBSA-N 284.403 3.583 30 20 CHED C#C[C@@H](NC(=O)CC[C@@H](C)c1ccccc1)C(C)(C)C 807884736 VQCGMKAAXNDGDW-GDBMZVCRSA-N 271.404 3.734 30 20 CHED N#Cc1nc(F)ccc1OCc1cccc(C(F)(F)F)c1 808044588 AMUDUWNPNBHVIK-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C(=NNC1CCCC1)c1ncc(-c2ccccc2)s1 811641330 YAQCJTCZWGOGBK-UHFFFAOYSA-N 271.389 3.676 30 20 CHED c1ccc(CN2C[C@H]3CCCC(=NOCC4CC4)[C@H]3C2)cc1 814244551 ZPEHALWNZIAUIU-MSOLQXFVSA-N 298.430 3.701 30 20 CHED CN(CC(C)(C)C#N)c1cc2ccccc2c(Cl)n1 814371799 AAGKUGVSVCMEGF-UHFFFAOYSA-N 273.767 3.874 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1nncc2ccccc12 814703449 LREUXTOHPJMWEC-UHFFFAOYSA-N 294.333 3.799 30 20 CHED Cc1sc2ncnc(NN=C3CCC[C@@H](C#N)C3)c2c1C 814725802 CPEVCQDPJQYPCN-LLVKDONJSA-N 299.403 3.790 30 20 CHED Nc1ccc2c(c1)C(=NNCCCc1ccccc1)CCC2 814837883 PBZANUSPZZLWGO-UHFFFAOYSA-N 293.414 3.532 30 20 CHED COCCC(C)=NNc1ccc(C(F)(F)F)cc1 814882644 UJDXDJPXAODDNI-UHFFFAOYSA-N 260.259 3.530 30 20 CHED CCC(=NNc1ccnc(F)c1)c1ccc(Cl)c(N)c1 814901939 BVYRDFFAZDDCKK-UHFFFAOYSA-N 292.745 3.683 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C1CS[C@H](C(C)C)C1 814931562 XREQIFMGRKXKLZ-AWEZNQCLSA-N 293.392 3.833 30 20 CHED C=CCC(F)(F)C(=O)N1CCC2(CCCCC2)CC1 815253715 XGXJMMPMJURGQF-UHFFFAOYSA-N 271.351 3.771 30 20 CHED C#Cc1cccc(NC(=O)c2cc(NC)ccc2Cl)c1 816839054 SFFQHGKQOLNVAM-UHFFFAOYSA-N 284.746 3.615 30 20 CHED C=CC[C@@H](C)N[C@@H](C(=O)O)c1ccc(Cl)cc1Cl 825660088 SAZOZTFCPQOXDZ-PRHODGIISA-N 288.174 3.673 30 20 CHED C=CCCCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 828334292 RRUJLZNPGODUIV-CABCVRRESA-N 296.455 3.578 30 20 CHED C#CCC(C)(C)C(=O)NCC1(c2ccc(C)cc2C)CC1 833389980 UQNDVODYFHQMCH-UHFFFAOYSA-N 283.415 3.501 30 20 CHED CCSc1cccc(C=NN[C@H](C)C(F)(F)F)c1 834997541 DKBFGVCOCABKGR-SECBINFHSA-N 276.327 3.673 30 20 CHED C=CC(C)(C)C(=O)OCc1cnc2ccc(C)cc2c1 836105355 DXVYHQCLXDAALE-UHFFFAOYSA-N 269.344 3.799 30 20 CHED C#CCC1(C(=O)Nc2ccc(O)c(F)c2F)CCCCC1 837086863 UTOWPGLAMGUEKD-UHFFFAOYSA-N 293.313 3.583 30 20 CHED CC(C)(C)OCCCCOC(=O)[C@]1(C#N)CC12CCCC2 837904421 YWVQCPMROVOXFV-QGZVFWFLSA-N 293.407 3.599 30 20 CHED CC[C@@H]1CCCC[C@@H]1OCC(=O)O[C@H]1CCC[C@@H](C#N)C1 839048914 DBSCDEVSJNLAHG-WCVJEAGWSA-N 293.407 3.597 30 20 CHED N#CC1(CCOC(=O)c2ccc(Cl)nc2)CCCCC1 840007696 GGPQFSSIUTVQLA-UHFFFAOYSA-N 292.766 3.756 30 20 CHED CCOCC(C)=NNc1cccc(Cl)c1Cl 841643324 AMRSLMQGCCOEOR-UHFFFAOYSA-N 261.152 3.818 30 20 CHED CC/C(C)=C/C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842943101 PQDPEOFLSSSEKJ-OALRPVAKSA-N 260.362 3.553 30 20 CHED N#CCCCCCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842944886 NLHYDASLXPTBLO-GFCCVEGCSA-N 287.388 3.671 30 20 CHED CCOc1cccc(/C=N/[C@@H]2CCCC[C@H]2SC)c1O 844272200 WESZNVZUJFVCQZ-DRMGDSRLSA-N 293.432 3.884 30 20 CHED C[C@H](C(=O)OCC(C)(C)CC#N)c1ccc(Cl)cc1 845516647 HEFFRYAMNRFJSL-NSHDSACASA-N 279.767 3.927 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@](C)(O)c1cccs1 850435691 CXJWORXUWXTXLT-YCPHGPKFSA-N 279.449 3.680 30 20 CHED C=CCCSCCN[C@@H](CC)c1ccc(F)cc1O 850502719 VPDCCWIEDBQGSW-AWEZNQCLSA-N 283.412 3.881 30 20 CHED CCc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)s1 851213617 RXHSMFJDFAMHBE-SNVBAGLBSA-N 265.378 3.796 30 20 CHED C=CC(C)(C)CCOC(=O)c1oc(C(C)C)nc1C 851300549 VJRHSXWYITUGSS-UHFFFAOYSA-N 265.353 3.866 30 20 CHED C#C[C@@](C)(CC)NCc1ccc(OCc2ccncc2)cc1 852102696 NZGXOGZLWVNNAN-IBGZPJMESA-N 294.398 3.552 30 20 CHED C=CCCCCCCCNC(=O)N(C)CC1=CCCOC1 852344002 KDTPFSSWKVHRMF-UHFFFAOYSA-N 294.439 3.501 30 20 CHED CC(=NNc1nc2ccc(Cl)cc2s1)[C@@H]1CCCO1 853438591 HIONNUSXBXJJRJ-NSHDSACASA-N 295.795 3.917 30 20 CHED C=CCCC[C@H](C)NC(=O)OCc1cccc(OC)c1 859096641 CLWNAZOENQYFBV-ZDUSSCGKSA-N 277.364 3.666 30 20 CHED C=CCC1(CNC(=O)c2cc(C=O)ccc2F)CCCC1 861920128 TVGWYAUMADBGFA-UHFFFAOYSA-N 289.350 3.505 30 20 CHED Cc1ccc(C=NNCc2ccccc2Cl)cc1 864028921 NPBYIPURTFTWIB-UHFFFAOYSA-N 258.752 3.772 30 20 CHED C#C[C@@](C)(CC)NC(=O)Nc1cccc(COC(C)C)c1 878457580 WTNQGLPCEQSSKI-KRWDZBQOSA-N 288.391 3.535 30 20 CHED C=CCCC[C@@H](NCc1nc(C2CC2)n[nH]1)c1ccccc1 880389970 LYZAANCNFCGUQK-MRXNPFEDSA-N 296.418 3.869 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1Cc2ccccc2[C@@H]1CC 890615829 QUMRNAJLADWVKG-WMZOPIPTSA-N 287.403 3.709 30 20 CHED C=C1CCC(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)CC1 897820653 UOUKGGCGYGTLFL-HNNXBMFYSA-N 261.409 3.770 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(-c2nc(C)c[nH]2)cc1 898385619 OHZJGRHMQYCKKC-UHFFFAOYSA-N 283.375 3.926 30 20 CHED CCc1onc(C)c1/C=C1/CCc2cc(OC)ccc2C1=O 899341205 WOBBFEFCMNVLGI-RAXLEYEMSA-N 297.354 3.767 30 20 CHED CCCCCCCC[C@H](N)c1nc(-c2ccccn2)no1 900010850 XRPXQRBYYBOJFI-ZDUSSCGKSA-N 288.395 3.882 30 20 CHED CCCc1ccc(NCc2cc(C#N)ccn2)cc1 901363609 NVCKBJVDHDVSRU-UHFFFAOYSA-N 251.333 3.518 30 20 CHED CC(C)n1cncc1/C=C1\C(=O)c2ccccc2[C@@H]1C 901506409 LWVVPRMVXQBKPK-LUMBYOQCSA-N 266.344 3.847 30 20 CHED N#CC1(CCCCOc2ccc3c(c2)OCCO3)CCC1 902695598 WWACLDYCINMUQB-UHFFFAOYSA-N 287.359 3.701 30 20 CHED Cc1cc2c(cc1C)[C@@H](NCC1(C#N)CC1)CCS2 903105622 GGSQZKUCSHSUSG-AWEZNQCLSA-N 272.417 3.734 30 20 CHED Cc1ccc(C/N=C(/NC(C)C)NC(C)(C)C)c(C)c1 912509970 WOGWADLAHRCCGC-UHFFFAOYSA-N 275.440 3.546 30 20 CHED CCCCCCCCC(=O)N(CC)C[C@H]1CCOC1 915707570 SXZWPHYYMMOTOH-OAHLLOKOSA-N 269.429 3.622 30 20 CHED S=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)Nc1ccccc1 915923473 DYIQZKMWVUJRIE-RZFFKMDDSA-N 299.443 3.785 30 20 CHED C#CCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 917071155 OQBFHHQFPMHKJL-UHFFFAOYSA-N 254.160 3.591 30 20 CHED C=C(Cl)CN(C)CCCOc1cccc(Cl)c1 917085889 BCWNBCHAZOBOCT-UHFFFAOYSA-N 274.191 3.793 30 20 CHED Cc1ncc(C=NNc2cccc(Br)c2)s1 917545196 ROZCRGISFFDFJU-UHFFFAOYSA-N 296.193 3.660 30 20 CHED Cc1cccc2c1OCCC2=NNc1ncccc1Cl 920375847 ZTQHBSRWSGVXAV-UHFFFAOYSA-N 287.750 3.642 30 20 CHED C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc(C#N)cc1F 927061881 URFIEOCLYFVNTF-SJKOYZFVSA-N 295.361 3.821 30 20 CHED C#CCCCCC(=O)N1CCC[C@@H]1[C@H](C)c1ccccc1 928382348 FEDGTKFRRMRPSY-SJLPKXTDSA-N 283.415 3.975 30 20 CHED C[C@@H]1SCCN(CCCCC2(C#N)CCC2)[C@@H]1C 929674097 BXJSYVSVSCQIGU-KGLIPLIRSA-N 266.454 3.676 30 20 CHED C=C1CCN(C(=O)Nc2c(OC)cccc2SC)CC1 931770429 VBFCWUISFWBGBV-UHFFFAOYSA-N 292.404 3.601 30 20 CHED C[C@@H]1CN(C(=O)Nc2sccc2C#N)Cc2ccccc21 931831759 QBPGVAJWEGNRFW-LLVKDONJSA-N 297.383 3.771 30 20 CHED N#CCOc1ccc(CNC2(C3CCCCC3)CC2)cc1 934788433 QPCVFGSGQJZOMV-UHFFFAOYSA-N 284.403 3.791 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1N[C@@H](C)COC 935790231 SCQHGGZSUOQPNK-UONOGXRCSA-N 290.407 3.674 30 20 CHED CCCCCCCc1nnc(CNC(=O)OC(C)(C)C)o1 1117247515 UHIUAKNTOBFIHW-UHFFFAOYSA-N 297.399 3.607 30 20 CHED C=C(CC)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 1123600960 QXNDAMMLBJDXDO-UHFFFAOYSA-N 295.386 3.791 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 1126697547 CSIZJJXRMBKVOO-OSAQELSMSA-N 270.376 3.878 30 20 CHED Cc1cc(NCc2cccc(Cl)c2)ncc1C#N 1184598424 DTYUDEWXCOFDBX-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1cc(=N[C@@H]2C[C@H]2c2cccc3ccccc23)c(C#N)c[nH]1 1186275121 LXQXOBAQGYPPHC-AZUAARDMSA-N 299.377 3.805 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)CC2=NOCc1cccnc1 1253374898 SVOHNOKBVSFFJJ-LBPRGKRZSA-N 282.343 3.524 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2ccccc2OCC#N)C1 1275106607 LFCODDQNTPKTLF-ZDUSSCGKSA-N 287.359 3.715 30 20 CHED Cc1nsc(NC[C@H]2CCC[C@@H]2C2CC2)c1C#N 1307141894 NVNGZNUBVSNESQ-VXGBXAGGSA-N 261.394 3.561 30 20 CHED C[C@H](c1ccccc1)[C@H]1CCCN1c1ncc(C#N)cc1F 1307215446 BHDFWAZNPVJOJZ-CXAGYDPISA-N 295.361 3.865 30 20 CHED C[C@@H]1COc2ccccc2[C@@H]1OC(=O)c1cc(C#N)cs1 1320242372 OQDXFCKKYUSOKS-MEBBXXQBSA-N 299.351 3.546 30 20 CHED CSc1ccccc1C(C)=NNc1ncccc1F 1321859793 DTSUTSIPDKUDHF-UHFFFAOYSA-N 275.352 3.779 30 20 CHED CC[C@H](CNc1cccc(CC#N)n1)CC(F)(F)F 1328648879 IZWUTGCBQKENQG-JTQLQIEISA-N 271.286 3.538 30 20 CHED N#Cc1ccc(COC(=O)C=C2CCCCC2)s1 1329979842 ZMKSCDUEAZLJSS-UHFFFAOYSA-N 261.346 3.553 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1Cc1ccccc1 1336437338 COWODITUODDTOZ-MRXNPFEDSA-N 257.377 3.576 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 1336994068 UDZCAEPYZJQAIE-AWEZNQCLSA-N 298.386 3.890 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)Cc1ccc2ccccc2c1 1340891788 JNXWVEMLXVQIEX-KRWDZBQOSA-N 280.371 3.533 30 20 CHED C=C(C)Cn1c(C2CC=CC2)nnc1N1CC[C@@H](C)[C@@H]1C 1343680370 WQECMEWCILXBHE-KGLIPLIRSA-N 286.423 3.523 30 20 CHED CC(C)c1[nH]ccc1C(=O)O[C@H](CC#N)c1ccco1 1344935777 HEUITBBXKQRXBB-CYBMUJFWSA-N 272.304 3.543 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1sc(C)nc1C 1345840637 FPZLPKGASTVNNS-LBPRGKRZSA-N 279.409 3.722 30 20 CHED Cc1ccc([C@@H](C)CNC(=O)c2cc(C#N)ccc2F)cc1 1360479433 ZIDHFPPZOHAXDQ-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccccc2-n2cccc2)C1 1436649690 QXKUTAJERSBWDB-GJZGRUSLSA-N 294.354 3.716 30 20 CHED N#Cc1ccccc1N(C(=O)c1ccccc1)C1CCC1 1437655404 CGERCHXUWYOVQH-UHFFFAOYSA-N 276.339 3.758 30 20 CHED Cc1cc2cc(Nc3cc(C)c(C#N)cn3)ccc2[nH]1 1458102097 UTQRDWASRSAAAZ-UHFFFAOYSA-N 262.316 3.795 30 20 CHED Cc1cc(Nc2cccc(N3CCCCC3)c2)ncc1C#N 1458135967 MQZZNJFOHDNKAH-UHFFFAOYSA-N 292.386 3.996 30 20 CHED Cc1c(Cl)cnc(N2C[C@@H](C)CC(C)(C)C2)c1C#N 1458283264 KBUVPZZQAJOLTA-JTQLQIEISA-N 277.799 3.788 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(C(C)=O)cs1 1514860219 VYGUFKCLLXDFHZ-ZDUSSCGKSA-N 277.389 3.522 30 20 CHED CC(C)(CCC#N)COC(=O)CC[C@H]1CC1(Cl)Cl 1514867666 HATJCJPFFWIJCD-JTQLQIEISA-N 292.206 3.834 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc(F)c2C)s1 1517566800 YWHNZQWYVWLQIZ-UHFFFAOYSA-N 288.347 3.882 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1sccc1C#N 1520276838 KCOMBYPVTREZJL-LBPRGKRZSA-N 275.377 3.582 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1C(C)=O 1521711920 RABQCNZIBXMJGB-HUUCEWRRSA-N 298.386 3.916 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(C#N)ccc1F 1523817498 GJZYBDHHDSQAMV-UONOGXRCSA-N 288.366 3.644 30 20 CHED N#Cc1ccc(F)c(NC(=O)CCC2CCCCC2)c1 1528040228 DQXOHGWFFRRHRC-UHFFFAOYSA-N 274.339 3.996 30 20 CHED Cc1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1C#N 1531215488 JHYRJAIDLILQJN-KRWDZBQOSA-N 296.414 3.909 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(CF)cc1 1531960147 ZNMUTIKSXBNHRQ-UHFFFAOYSA-N 268.291 3.589 30 20 CHED CCc1ccc([C@H](C)CC(=O)N(CC)[C@@H](C#N)CC)cc1 1538757919 VXGXIOURNGPQEJ-RHSMWYFYSA-N 286.419 3.893 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1ccc(C2CC2)cc1 1543442793 VRZMMEDRVZCJKS-UHFFFAOYSA-N 280.302 3.827 30 20 CHED CCc1ccc(C(=O)Nc2ccc(C#N)cc2C(C)=O)cc1 1543533800 XWQNWAJEWMFAGB-UHFFFAOYSA-N 292.338 3.576 30 20 CHED CN(C(=O)c1ccc(C#N)cc1F)C(C)(C)c1ccccc1 1586733746 CWXJFHPTSCACCO-UHFFFAOYSA-N 296.345 3.705 30 20 CHED C#Cc1cccc(N(CC)Cc2ccc(C(=O)O)cc2F)c1 1602742501 WKWBPANDUUNGHZ-UHFFFAOYSA-N 297.329 3.532 30 20 CHED CC(C)[C@@H]1CCC[C@H](NCc2cccc(C#N)n2)CC1 1621272145 WXRAOKBLFIIXNR-CABCVRRESA-N 271.408 3.648 30 20 CHED CC(C)(C#N)CC(=O)N(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 1627493441 SWVPOPOWIIKUDC-KKUMJFAQSA-N 288.435 3.744 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N(C1CCCC1)C1CC1 1628462309 XRKPXRCMGIJZSG-MRXNPFEDSA-N 296.414 3.693 30 20 CHED C[C@H]1[C@H](C)CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl 1629596121 NAGYAJCTKQBSIM-BDAKNGLRSA-N 297.185 3.736 30 20 CHED CCC[C@@H]1CN([C@H](C)CCC#N)CCN1Cc1ccccc1 1642391936 KCUMCHOVSSXHDW-IEBWSBKVSA-N 299.462 3.665 30 20 CHED C[C@@]1(Cc2ccccc2F)CCCN1c1ccnc(C#N)c1 1642847880 AGTNCOBLZFFLIC-SFHVURJKSA-N 295.361 3.694 30 20 CHED CC[C@@H](C)c1ccc([C@@H](NC[C@H](O)CC#N)C(C)C)cc1 1644881600 WEOZEHWRCNOHSO-OLMNPRSZSA-N 288.435 3.761 30 20 CHED CN(CC1(CC#N)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 1654690958 AAELDCKBTAHDDC-IAGOWNOFSA-N 268.404 3.948 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1CNc1cncc(C#N)n1 1655066823 YKVIFCKGIBWNPH-GXTWGEPZSA-N 272.396 3.613 30 20 CHED CCc1cccc2c1N(Cc1ccc(C#N)s1)CC2 1657668679 UMDXOKYJCIMQLH-UHFFFAOYSA-N 268.385 3.745 30 20 CHED C[C@@H]1CC[C@H](c2ccccc2)N(Cc2cc(C#N)ccn2)C1 1658598120 VZCYJIJFFUTEQH-DNVCBOLYSA-N 291.398 3.926 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)Nc1cccc(CC#N)c1 1661888542 UYNUXHCQRLUWBZ-YCPHGPKFSA-N 299.418 3.946 30 20 CHED CC1(C#N)CN(CCCc2c(Cl)cccc2Cl)C1 1664944786 NACCFXJVUXUAPC-UHFFFAOYSA-N 283.202 3.771 30 20 CHED CC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(C#N)c(F)cc1F 1673966840 CTFFVXDFZURGLC-NOZJJQNGSA-N 293.317 3.537 30 20 CHED CC(C)CC(=NNc1ccc(C(=O)O)nc1)c1ccccc1 1776068503 DWNRICFZUQBXMA-UHFFFAOYSA-N 297.358 3.642 30 20 CHED C[C@@H]1CCCC(=NNc2ccc(C(=O)O)c(F)c2)[C@@H]1C 1776074945 DHKSWERIRNHWNG-NXEZZACHSA-N 278.327 3.748 30 20 CHED C=C(C)CCCC(=O)Nc1ccc2c(C(=O)O)nccc2c1 1776138288 BZGBAAHWAAASIR-UHFFFAOYSA-N 298.342 3.618 30 20 CHED C=C[C@H]1CCCN(Cc2c(C(=O)O)oc3ccccc23)C1 1776150284 FTACQHWIHWZKLZ-LBPRGKRZSA-N 285.343 3.529 30 20 CHED C=CCc1cccc(CN2CC3(CCC3)CC[C@H]2C(=O)O)c1 1776187276 DCARPAWGBVWVCB-KRWDZBQOSA-N 299.414 3.634 30 20 CHED C#CCC(C)(C)C(=O)N1CCC2(CCCCC2)CC1 185413628 CXELEFHFWZAJMQ-UHFFFAOYSA-N 261.409 3.609 30 20 CHED CCOc1ccc(Oc2ccc(NC(=O)CC#N)cc2)cc1 119219228 WXOHUFOAMJNPSQ-UHFFFAOYSA-N 296.326 3.730 30 20 CHED CCN(Cc1cc(F)ccc1Br)C[C@@H](C)C#N 104676252 MMSLHNUUVMVLFA-JTQLQIEISA-N 299.187 3.570 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)c1ccc(Cl)s1 175983330 QKNLAXCFSOSVIZ-ZANVPECISA-N 284.812 3.559 30 20 CHED COc1cccc(C/N=C\c2cc(Cl)ccc2O)c1 103010772 XTBFOEOTWQGHOA-YVLHZVERSA-N 275.735 3.673 30 20 CHED C#Cc1cccc(N(C)C(=O)c2oc3ccccc3c2C)c1 103033764 SLZULRNYKYKCNE-UHFFFAOYSA-N 289.334 3.999 30 20 CHED Cc1ccc(-c2noc(-c3cccc(CC#N)c3)n2)cc1 172056243 NNUQTNURNNDZOV-UHFFFAOYSA-N 275.311 3.778 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(C#N)c1 118750979 AWMMEAWGHFSBIQ-XPKDYRNWSA-N 283.375 3.743 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)CCCc2cccs2)C1 116806585 SJKLDCSWNIANRS-XJKSGUPXSA-N 290.432 3.659 30 20 CHED C[C@H]1CN(C)c2ccccc2CN1c1cccc(F)c1C#N 301566794 MKVNJTZLNCGRLT-ZDUSSCGKSA-N 295.361 3.542 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(N(C)C(C)C)c1 117007312 RYJCSBPUFTVNNO-CYBMUJFWSA-N 275.396 3.617 30 20 CHED C=CCN(CC=C)C(=O)c1cnn([C@H](C)CC)c1C1CC1 179451785 OSBRWWYHVMLJEJ-CYBMUJFWSA-N 287.407 3.546 30 20 CHED C[C@@H](Nc1ccc(C#N)nn1)c1cccc(C(F)(F)F)c1 301840117 OPEIMRHHDVRIBJ-SECBINFHSA-N 292.264 3.540 30 20 CHED N#Cc1nc(NCCc2ccc(F)cc2F)ccc1Cl 301275105 YPLMOAWHMVYQKB-UHFFFAOYSA-N 293.704 3.539 30 20 CHED C[C@@H]1CCC[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 172707007 IWSOBFNQDDOXLO-MNOVXSKESA-N 288.416 3.873 30 20 CHED CCC[C@@H](C)NCCSCc1ccccc1C#N 177821764 OVEIQYSNIHOEMM-CYBMUJFWSA-N 262.422 3.570 30 20 CHED C=CCN(CC=C)C(=O)COc1ccc([C@@H](C)CC)cc1 301149604 WNKIXTJOMCIJGW-HNNXBMFYSA-N 287.403 3.780 30 20 CHED CS[C@H]1CCC[C@H](Nc2cccc(F)c2C#N)C1 227360097 NFEZJHPLCFRXGM-QWRGUYRKSA-N 264.369 3.783 30 20 CHED N#CCSCCCN1CC=C(c2ccc(F)cc2)CC1 173858643 CMRIYAHHBPFGLD-UHFFFAOYSA-N 290.407 3.562 30 20 CHED C#CCCCNC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 179853616 DEINSXDEKSNMQA-SJORKVTESA-N 293.451 3.672 30 20 CHED CCO[C@H]1C[C@H](NCc2cccc(C#N)c2)C12CCCCC2 303912428 RWMXEYICGCJIDN-ROUUACIJSA-N 298.430 3.776 30 20 CHED N#Cc1cccc(Cl)c1NCc1ccccc1[N+](=O)[O-] 301388786 YVQGOVGCQQKGKH-UHFFFAOYSA-N 287.706 3.732 30 20 CHED Cc1ccccc1C1CCN(c2ccc(C#N)nc2)CC1 301543187 WCDAHPSSSNUSTP-UHFFFAOYSA-N 277.371 3.646 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)C(C)(C)c1ccccc1 301583530 UFOFWXPUCNKELF-ZDUSSCGKSA-N 265.360 3.731 30 20 CHED CCN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 66956008 WGTSUXOIYQFPKR-NSHDSACASA-N 277.393 3.564 30 20 CHED N#Cc1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 302037429 VHHZUBZSOBWJCU-MRXNPFEDSA-N 297.789 3.902 30 20 CHED N#CCCCN1CCC[C@@H]1c1ccccc1Br 126013783 KQONOOYUMMZPLJ-CQSZACIVSA-N 293.208 3.890 30 20 CHED Cc1oc2ccccc2c1CNCc1ccc(C#N)cc1 123263930 WPASRHAKEBNRDC-UHFFFAOYSA-N 276.339 3.903 30 20 CHED CC(C)c1cccc(CNCc2cccc(C#N)c2)c1 479403156 YHCDRIBOTKFTQI-UHFFFAOYSA-N 264.372 3.971 30 20 CHED CN(C(=O)C1(C#N)CCCCC1)c1ccc(F)c(Cl)c1 180215957 AOFPMDUKWNPOIZ-UHFFFAOYSA-N 294.757 3.916 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC1(C)C 122519542 GJWCVSNKGTVUHA-VXGBXAGGSA-N 288.416 3.923 30 20 CHED CC#CCNc1cccc(NC(=O)c2ccccc2)c1C 182303355 ZXVSSSUNPLQPRT-UHFFFAOYSA-N 278.355 3.683 30 20 CHED C=C(C)CN(C)CC#Cc1ccc(C(F)(F)F)cc1 181277388 VUKVITXMXMBHLF-UHFFFAOYSA-N 267.294 3.565 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1ccc(Cl)cc1 187963918 BBLNIXXGTXBYSA-LRDDRELGSA-N 295.810 3.746 30 20 CHED N#CCCCCN1CCC(c2nc3ccccc3o2)CC1 71016094 VWRFPMQAOQNJDI-UHFFFAOYSA-N 283.375 3.701 30 20 CHED C=CCC[C@@H](NC(=O)[C@H]1CC12CCOCC2)c1ccccc1 123046986 ZPGQUQLCLZQVTD-IAGOWNOFSA-N 299.414 3.627 30 20 CHED Cc1cnc(C(C)(C)N[C@H](C)c2cccc(C#N)c2)s1 182451291 NLTASBZMJREMEB-GFCCVEGCSA-N 285.416 3.909 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(OC)c(Cl)c1 125716497 RWVSRKLFAAXPSV-LBPRGKRZSA-N 283.799 3.592 30 20 CHED COc1cccc([C@H](C)CC(=O)Nc2ccc(C#N)cc2)c1 74625763 UEFGPPCXLCCSFB-CYBMUJFWSA-N 294.354 3.699 30 20 CHED Cc1ccc(CNCc2ccc(C#N)c(C)c2)cc1F 443973671 ZPVJMBHHUIUQQZ-UHFFFAOYSA-N 268.335 3.604 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(CCCCC#N)C1 75843311 FVFPRDPJBJXYOU-XJKSGUPXSA-N 260.356 3.902 30 20 CHED COC1([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)CCC1 414298926 HOHUECNIBOEVEZ-RDTXWAMCSA-N 298.430 3.873 30 20 CHED N#Cc1cccnc1SCCCc1ccccc1 78401943 NRSVIHGJHHFFRC-UHFFFAOYSA-N 254.358 3.678 30 20 CHED C=Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1 185279169 XMIBSNXGDCTETN-SUMWQHHRSA-N 268.360 3.532 30 20 CHED COCCSc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 411465336 OHBONLHQTRPEMW-ZIAGYGMSSA-N 292.448 3.768 30 20 CHED CCCCCCCCCC(=O)Nc1ccc(C(=O)O)nc1 128082020 HHKHRLWRILDFNF-UHFFFAOYSA-N 292.379 3.859 30 20 CHED N#Cc1cccc(NC(=O)c2c(Cl)cncc2Cl)c1 335400677 MEEJWGGKRFOZCV-UHFFFAOYSA-N 292.125 3.512 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 122762543 OGHKQODTSMVYJB-MRXNPFEDSA-N 257.377 3.933 30 20 CHED COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1C 181609849 FZFNDXUBKCIIHL-AWEZNQCLSA-N 280.371 3.726 30 20 CHED N#CC1(CCSCc2ccon2)CCCCC1 419428088 SQLKXUDQXVTYBO-UHFFFAOYSA-N 250.367 3.772 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1nccs1 414222599 NBOROPCBDBHFRB-ZJUUUORDSA-N 275.352 3.566 30 20 CHED CCC(C)(C)C(=O)Nc1cccc(C#N)c1Br 416074922 DUZVJUQDWSYFKC-UHFFFAOYSA-N 295.180 3.695 30 20 CHED Cc1nc(NCC2(C#N)CCC2)c2c3c(sc2n1)CCC3 419018606 CKSDVZHCNWDELW-UHFFFAOYSA-N 298.415 3.594 30 20 CHED COc1ccc([C@@H](C)CN(CC#N)C2CCCC2)cc1 180361030 KGGGJPIZIOXBLO-AWEZNQCLSA-N 272.392 3.567 30 20 CHED N#C[C@H]1CCC[C@H](N[C@H]2CCCOc3c(F)cccc32)C1 185892211 RCRSTSIKEGTWNP-XEZPLFJOSA-N 288.366 3.711 30 20 CHED C=CCCCN(C)CC1CCN(C(=O)OC(C)(C)C)CC1 76736437 ZDYZRZDTKDIYMN-UHFFFAOYSA-N 296.455 3.532 30 20 CHED O/C(=N/[C@@H]1CC[C@H](F)C1)Nc1ccc2ccoc2c1 329230907 DSWPKEOCTRDBPF-WDEREUQCSA-N 262.284 3.649 30 20 CHED CC(C)N(Cc1ccco1)Cc1ccc(F)cc1C#N 343715621 CQKVRGIWOOAPSD-UHFFFAOYSA-N 272.323 3.701 30 20 CHED Cc1ccc(C[C@H](C#N)Sc2nccs2)cc1 133225117 XGAJAQSIHZIUJC-GFCCVEGCSA-N 260.387 3.679 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2cnc3c(c2)CCCC3)CCC1=O 329304246 OFPIXEDZSHIKSJ-YPMHNXCESA-N 286.375 3.554 30 20 CHED C[C@@H](CC(=O)NCC1CCC(C#N)CC1)C(C)(C)C 508364723 YRPQCIKAXICJKD-HSBZDZAISA-N 264.413 3.505 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 424360259 SETTYSKGZHPGIK-UHFFFAOYSA-N 279.321 3.560 30 20 CHED CCCCCN(CCOc1ccc(C#N)cc1)C(C)C 48231346 BCPMMBMPUWVJKS-UHFFFAOYSA-N 274.408 3.838 30 20 CHED CCN(Cc1ccccc1C(C)(C)C#N)CC(F)(F)F 135193855 SEJBIMZCCPCILH-UHFFFAOYSA-N 284.325 3.872 30 20 CHED CC(C)(C#N)CCNc1ccc(Br)cc1F 83637704 LELLSFMTHIGDFI-UHFFFAOYSA-N 285.160 3.940 30 20 CHED C[C@@H]1CC(C(O)=Nc2cccc3ocnc23)C[C@@H](C)O1 328899622 XNQOOOKLTNEHCN-NXEZZACHSA-N 274.320 3.619 30 20 CHED C=CCN(CCC#N)[C@H](C)c1cccc(Br)c1 428845893 OEVTUZVYZBGUOD-GFCCVEGCSA-N 293.208 3.912 30 20 CHED C=C(C)CCNC(=O)N1CCC(c2ccccc2F)CC1 514915518 BYFQPMAVMARWDZ-UHFFFAOYSA-N 290.382 3.681 30 20 CHED CC(C)n1cc(CN(C)[C@H](C)c2cccc(C#N)c2)cn1 425369266 ZUKJKHQLZFGYBQ-CQSZACIVSA-N 282.391 3.529 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(C#N)cc1 194730761 IHRVJKPQCBSBEM-IRXDYDNUSA-N 298.430 3.822 30 20 CHED CCc1nnc(S[C@@H](C)C(C)C)c(C#N)c1CC 229734116 QFHGUDJJVKFJCI-JTQLQIEISA-N 263.410 3.610 30 20 CHED Cc1nc2ccc(N=C(O)[C@@H]3CCC(=O)[C@H](C)C3)cc2o1 328906053 KLNZYLFXIWCTGR-MWLCHTKSSA-N 286.331 3.730 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccsc1 425125538 GPVFEAPVSOWTRB-STQMWFEESA-N 298.411 3.943 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(C)c(O)c(C)c1C 424777206 RSYFSOOHSDAVFB-UHFFFAOYSA-N 261.365 3.858 30 20 CHED C=CCC[C@H](CC)N[C@@H](C(=O)OC)c1ccc(F)c(C)c1 428377387 XNKURERGTQKENI-GOEBONIOSA-N 293.382 3.683 30 20 CHED C=CCCC(=O)Nc1cc(-c2ncco2)ccc1C 89425905 WGFJUOVBHKQPPK-UHFFFAOYSA-N 256.305 3.555 30 20 CHED CCS[C@@H]1CCC[C@@H](/N=C(/O)c2c(CC)noc2C)C1 331108282 HREWDQDUQKHBQW-VXGBXAGGSA-N 296.436 3.914 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccc(-c2ccccc2)cc1 193055583 YLIZKTSMPJWUAI-FMIVXFBMSA-N 288.350 3.983 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1cccnc1 195294924 LPEKYUXNMQNGHY-VOTSOKGWSA-N 275.254 3.579 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3ccccc3)CC2)C1 429685883 NOSNVNOLYKUKTN-BPQIPLTHSA-N 268.404 3.948 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)[C@H](C)C2 424318176 CPXSAVKJMXMIDT-CXUGXGMPSA-N 254.377 3.510 30 20 CHED Cc1ccc(NC(=O)N2CCC(CCC#N)CC2)c(F)c1 335468642 CQHNHYGIXRDOCT-UHFFFAOYSA-N 289.354 3.682 30 20 CHED C=CCSCCN[C@H](C)c1cc(F)cc(F)c1 180458665 YDJWQVBXCWXGOF-SNVBAGLBSA-N 257.349 3.535 30 20 CHED CO[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 425533734 LALSBPANBRTTHT-DNVCBOLYSA-N 294.398 3.939 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1cc(F)ccc1O 94616868 QUTMMUIBWGDLFA-LLVKDONJSA-N 286.306 3.607 30 20 CHED Cc1cc2cc[nH]c2cc1N/C(O)=N/CCC(C)C 331280887 BYIVTCNVPQTSCW-UHFFFAOYSA-N 259.353 3.848 30 20 CHED N#Cc1ccc(Oc2ccc(C#N)c3ccccc23)nc1 338827328 HUFOMWTYDLLMIQ-UHFFFAOYSA-N 271.279 3.770 30 20 CHED CCS[C@@H]1CCC[C@H]1/N=C(/O)c1c(CC)noc1C 331157156 ZBBGTTHCYGPUIY-VXGBXAGGSA-N 282.409 3.524 30 20 CHED CC(=O)c1cc(F)ccc1OCCCC(C)(C)C#N 93307860 YDGMSLNFPFNONE-UHFFFAOYSA-N 263.312 3.737 30 20 CHED C=C(C)CN=c1[nH]c(C2CCC(F)(F)CC2)cs1 430837214 LCENKQSERXTLIZ-UHFFFAOYSA-N 272.364 3.846 30 20 CHED N#Cc1nn(Cc2cc(F)ccc2Cl)c2ccccc12 432455934 MMSJXNJPSRVLGF-UHFFFAOYSA-N 285.709 3.749 30 20 CHED Cc1cc(CNCC2(CC#N)CC2)c(OC(F)F)cc1C 430020813 PNUOKCTTZSVSEY-UHFFFAOYSA-N 294.345 3.688 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)c1ccc(CC(C)C)cc1 538195305 QBUBFERTVIMNOX-RDJZCZTQSA-N 275.436 3.720 30 20 CHED Cc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccc1Br 349856266 ZXRPLGLVBPIXIE-YPMHNXCESA-N 293.208 3.539 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cccc(C#N)c1 246097229 AWMMEAWGHFSBIQ-IVMMDQJWSA-N 283.375 3.743 30 20 CHED N#Cc1cc(NC(=O)C[C@@H]2C[C@@H]2c2ccccc2)ccc1F 340743793 NYIWFKWYKQVIOF-XJKSGUPXSA-N 294.329 3.830 30 20 CHED CC(C)CCO[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 249083550 AZAKHUFCOAWVRC-CRAIPNDOSA-N 286.419 3.756 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Br)cc1O 525957042 KLBVZYRXAKXFLI-ZDUSSCGKSA-N 298.180 3.696 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)[C@]1(C)CCCO1 340319114 JSWXIEUVAGBJPG-YOEHRIQHSA-N 288.391 3.739 30 20 CHED N#CCCCCN[C@@H](c1ccc(F)cc1)c1cccnc1 346547930 CBUDDKNYDSBOPI-KRWDZBQOSA-N 283.350 3.594 30 20 CHED CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(Cl)cc2)c1 432052839 BZUJKIUFIYVSRF-UHFFFAOYSA-N 299.761 3.530 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)ccc1F 342430014 FHPBVZKIPPWDPI-KRWDZBQOSA-N 296.345 3.887 30 20 CHED C=CCNC(=O)[C@H](C)SCc1ccc(C(C)C)cc1 253608818 WWWKIYNGXKECAK-ZDUSSCGKSA-N 277.433 3.734 30 20 CHED C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(CC#N)cc1 340039054 HFEZLCHFDAITAJ-ZDUSSCGKSA-N 296.345 3.725 30 20 CHED CCO[C@H]1C[C@@H](Nc2cc(C#N)cc(C)n2)C12CCCCC2 342365493 WKMRIQKLQGPKGZ-CVEARBPZSA-N 299.418 3.802 30 20 CHED C=C1CCN(C(=O)c2cc(C(C)C)c(O)cc2C)CC1 436549090 WHADERNOEIRNGL-UHFFFAOYSA-N 273.376 3.616 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Oc2cccnc2)nc1 344051307 SDUCPSNFDJDNKF-QGZVFWFLSA-N 297.358 3.810 30 20 CHED Cc1c(C(=O)NCC(C)(C)CCC#N)oc2ccccc12 345939197 DAMXGIGSXRPKSK-UHFFFAOYSA-N 284.359 3.801 30 20 CHED CC(C)(C)CC(C)(C)NCCOc1ccc(C#N)cc1 603894950 FOSHDYDVWYPLOH-UHFFFAOYSA-N 274.408 3.741 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCc2ccc(F)cc21 526955077 ZWMCWRYKQQWSGV-GDBMZVCRSA-N 261.340 3.532 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(C)ccc1F 342430016 FHPBVZKIPPWDPI-QGZVFWFLSA-N 296.345 3.887 30 20 CHED CC1(C#N)CCC(NCc2nc(C3CC3)cs2)CC1 449196206 WWLZIAKAWDEVAD-UHFFFAOYSA-N 275.421 3.583 30 20 CHED Cc1cc(C)c(C#N)c(NCc2cccc3cc[nH]c23)n1 341366243 JFOHEMIKEMSCGE-UHFFFAOYSA-N 276.343 3.664 30 20 CHED C=CCN(C)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 441030035 GYNSCCUAXFQRDL-INIZCTEOSA-N 286.419 3.918 30 20 CHED C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H]1C 356635429 PETZRBJGBWFLPH-VYDXJSESSA-N 284.403 3.578 30 20 CHED COc1cc(Oc2nc(C(C)(C)C)ns2)ccc1C#N 443959931 IPJPXBKSQXAGMM-UHFFFAOYSA-N 289.360 3.508 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SCC(C)(C)C 440587997 IXXSGISIQRVYLQ-LBPRGKRZSA-N 257.443 3.579 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC(OCC2CC2)CC1 442680362 QSNMYXHFOGKILK-AWEZNQCLSA-N 284.403 3.510 30 20 CHED C=CCCCC(=O)Nc1ccc(Nc2ncccn2)cc1 444622129 OPZNKXJMWUEWCJ-UHFFFAOYSA-N 282.347 3.515 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1ccc2cccnc2c1 601039731 QFYHIXAXKABFPF-UHFFFAOYSA-N 295.386 3.637 30 20 CHED C=CCCC1(C(=O)NCc2cc(Cl)ccc2OC)CC1 354589263 BIEJIRYHDGHOEV-UHFFFAOYSA-N 293.794 3.711 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)c(OC)c1 539522641 QYXQUYHNTMIXIH-LLVKDONJSA-N 281.783 3.823 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 449876855 MYLGTUFDGKVLNP-CYBMUJFWSA-N 251.414 3.873 30 20 CHED C=CCCCCNC(=O)Nc1ccc2ccoc2c1 443354725 AOTCZWQSUNLCHU-UHFFFAOYSA-N 258.321 3.911 30 20 CHED Cc1ccc(CC(=O)N(CCC#N)CC(C)(C)C)cc1C 609191385 IZMAKZCJJMAAKI-UHFFFAOYSA-N 286.419 3.634 30 20 CHED CCc1cnc(NC(=O)C[C@H](CC#N)c2ccccc2)s1 356220816 MDFYLDCFNZXKKN-ZDUSSCGKSA-N 299.399 3.732 30 20 CHED N#Cc1cnc(NCCc2cccc(F)c2F)c(Cl)c1 352316800 XZBIEZJUJAZPEN-UHFFFAOYSA-N 293.704 3.539 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1sc(CCC)nc1C 539440979 QIAVYQDCDILADF-LLVKDONJSA-N 280.437 3.879 30 20 CHED N#CCc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 536089176 PGAGPMLCKPZVOA-UHFFFAOYSA-N 290.366 3.884 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc3cccnc3s2)C1 617777516 QTVJUVXYGQJNMW-GFCCVEGCSA-N 286.400 3.725 30 20 CHED Cc1c(C#N)c(NC(=O)C(C)C)n(-c2ccccc2)c1C 611466913 ZOFBSZFMLXOOBW-UHFFFAOYSA-N 281.359 3.560 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)c1cc2ccccc2s1 267216112 IKTISDYSPNZBNQ-CYBMUJFWSA-N 272.373 3.569 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2Nc1cccc(F)c1C#N 618693309 DLQDCLKKJKLTTJ-QGZVFWFLSA-N 277.302 3.668 30 20 CHED C=CCCCCCN(C)CCC(=O)Nc1ccccc1 533426262 GTYRMSRXFFRHGV-UHFFFAOYSA-N 274.408 3.693 30 20 CHED CCSCc1ccc(C(=O)N(C)CC(C)(C)C#N)cc1 353236187 ISHDHKNJXNBRCA-UHFFFAOYSA-N 290.432 3.561 30 20 CHED CCCCN(C(=O)NCCCC#N)[C@H](C)c1ccc(C)o1 612161275 RCYZLOBYOPSKPZ-CQSZACIVSA-N 291.395 3.765 30 20 CHED C[C@H]1COc2ccccc2N1CCCCC(C)(C)C#N 444658492 GDUMBCJXCZVVPR-AWEZNQCLSA-N 272.392 3.994 30 20 CHED C=CC(C)(C)C(=O)Nc1nc(C(C)C)c(C)s1 617248491 LNVZVTHYTQSZOJ-UHFFFAOYSA-N 252.383 3.726 30 20 CHED CSCc1cccc(Nc2cccc(C#N)n2)c1 535887746 JDPAWFKBIRZKKO-UHFFFAOYSA-N 255.346 3.560 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 539926684 AXKAFIJKKOXVTJ-MWLCHTKSSA-N 299.201 3.905 30 20 CHED C=CCC1(NC(=O)[C@H](C)OCc2ccccc2)CCCC1 619110390 FDOVKBGQZRGJIL-HNNXBMFYSA-N 287.403 3.597 30 20 CHED C=CCCCC(=O)Nc1cccc2c1OC(C)(C)C2 530447480 JAOVTMSMMILOCQ-UHFFFAOYSA-N 259.349 3.695 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCC(C)(C)CCC#N 354028508 ODSBNNCIRRXEHX-UONOGXRCSA-N 293.455 3.830 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C(F)(F)F)C1 615444906 LGOPVJZQAIVOLO-ZWNOBZJWSA-N 268.282 3.503 30 20 CHED N#CCCCCNC(=O)/C=C/c1cc(Cl)cc(Cl)c1 264012683 CEWYSRWVDUYHRL-SNAWJCMRSA-N 297.185 3.817 30 20 CHED C=C(CNC(=O)[C@@H]1CCC[C@H]1CC)c1ccccc1 451754301 ISDNHQZJBOTKFO-GDBMZVCRSA-N 257.377 3.642 30 20 CHED C=C[C@H](C)NC(=O)C(C)(C)Cc1ccc(Cl)cc1 457638236 NAGVLTAOOXWLPV-NSHDSACASA-N 265.784 3.599 30 20 CHED C[C@@H](NCC(C)(C)C1(O)CCCC1)c1ccc(C#N)cc1 453370118 FMXPOASHSIWWDD-CQSZACIVSA-N 286.419 3.540 30 20 CHED N#Cc1ccccc1CN[C@H](c1ccccc1)C(F)(F)F 533479699 LKAMINPUBRCMLD-OAHLLOKOSA-N 290.288 3.951 30 20 CHED CC(C)(C#N)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 612585399 AUESFQMSOIMMRS-INIZCTEOSA-N 272.367 3.901 30 20 CHED C=CCCCCNC(=O)N1CCC[C@@H]1c1cccs1 274551595 IQDQRTZGUIDKJJ-CYBMUJFWSA-N 278.421 3.951 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)n([C@@H](C)CC)n2)C1 617781106 FDZDRQRJPNFKFS-DZGCQCFKSA-N 289.423 3.591 30 20 CHED CC(C)(C#N)CNC(=O)CCc1ccc(-c2ccccc2)o1 611690073 GWBYSQSZFFWCDM-UHFFFAOYSA-N 296.370 3.545 30 20 CHED CC(C)(C#N)CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 618641947 AVKHGWRPXMJIFA-HNNXBMFYSA-N 270.376 3.536 30 20 CHED C=C(C)CCN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 453314117 IJEIRLKMZXFKHO-DLBZAZTESA-N 287.403 3.724 30 20 CHED C=CCOc1ccc(Oc2cc(CC)nc(C)n2)cc1 541090573 MQGAZDHMVFPVEQ-UHFFFAOYSA-N 270.332 3.705 30 20 CHED CC(C)Oc1cccc(CN2CCC(CC#N)CC2)c1 541920681 KQOBOSPHXTUCSS-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C=C(C)CCNC(=O)C1(c2ccc(F)cc2)CCCC1 456119574 JWZPOJWHVCPPHY-UHFFFAOYSA-N 275.367 3.720 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl 276090087 MLDBWCARPXVYAX-JTQLQIEISA-N 284.762 3.758 30 20 CHED C=CCN(C(=O)NCc1cc2ccccc2s1)C1CC1 271448011 NOUYXLBNLGVCAQ-UHFFFAOYSA-N 286.400 3.761 30 20 CHED CC[C@](C)(C#N)C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 367738098 RNZIOKZPRFKTFQ-QILLFSRXSA-N 284.403 3.639 30 20 CHED C=CCC[C@@H](c1ccccc1)N1C(=O)N2CCC[C@@]2(C)C1=O 272142433 LRMOUJFZNXFWFP-YJBOKZPZSA-N 298.386 3.511 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1cccc(CC#N)c1 456744669 HBLNPXGBZOQRAN-OCCSQVGLSA-N 256.349 3.517 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H]1CSc2ccccc21 452214005 KCHGJEHXHRVZMZ-LRDDRELGSA-N 275.417 3.594 30 20 CHED CC(C)c1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1Cl 276126532 XSDUNRZVFKMLEH-NSHDSACASA-N 278.783 3.695 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](C)Cc1ccc(C)s1 542186239 STTKENLNIGDHMH-YPMHNXCESA-N 280.437 3.641 30 20 CHED Cc1ccccc1-c1cccc(CNC[C@H](C)C#N)c1 541760672 OJHQTZJEKFZMKN-CQSZACIVSA-N 264.372 3.911 30 20 CHED CCCOc1ccc(OCCSCC2(C#N)CC2)cc1 540618922 HHEZWWZHRNFRGZ-UHFFFAOYSA-N 291.416 3.891 30 20 CHED CC[C@H](NCCc1nc(C)c(C)s1)c1ccc(C#N)cc1 278683512 JZYUPWNASQBXOF-INIZCTEOSA-N 299.443 3.915 30 20 CHED CC#CCCCC(=O)N[C@@H](C)c1ccccc1OC(F)F 274265865 FIXSEHHZHQXNEB-LBPRGKRZSA-N 295.329 3.659 30 20 CHED C=CCCC[C@H](C)NC(=O)NC1CCC(F)(F)CC1 540488321 WWDIZPHGCOBBPY-NSHDSACASA-N 274.355 3.608 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(C(F)(F)F)c(F)c1 626622043 MWIYLFVMAXYDIG-UHFFFAOYSA-N 290.260 3.884 30 20 CHED N#Cc1ccc(/C=C\c2nc([C@@H]3Cc4ccccc43)no2)cc1 544972969 QAEFQSOXMBVZAL-DOOKAGJSSA-N 299.333 3.800 30 20 CHED CCCC(CCC)S[C@H](C)C(=O)NC1(C#N)CCC1 468471278 URYREFVZZPBGNO-GFCCVEGCSA-N 282.453 3.639 30 20 CHED C=C(C)CCNc1ccc(C(=O)NC(C)(C)C)cc1 288747803 QFOUIIVLNGUJFZ-UHFFFAOYSA-N 260.381 3.593 30 20 CHED CC(C)c1ccc(C(=O)N[C@@H](C#N)C(C)C)cc1Cl 466990908 KFZNAZBWADZCSE-AWEZNQCLSA-N 278.783 3.741 30 20 CHED CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1(C)C 463038681 ZIMCCOGURAAPGN-IAOVAPTHSA-N 286.419 3.801 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)c1cccs1 281376992 OBVSQQAQMVFSMS-VXGBXAGGSA-N 266.410 3.805 30 20 CHED CCN(CC)C[C@@H]1CCCC[C@@H]1NCc1ccccc1C#N 559328311 LGRVQNKPHKUYJZ-OALUTQOASA-N 299.462 3.548 30 20 CHED C[C@H](NCCCCC#N)c1nccc2ccccc12 289513154 ALYPAFBOBJBQTK-ZDUSSCGKSA-N 253.349 3.579 30 20 CHED C=C[C@H](CO)N[C@@H]1CCCc2cc(SC(F)F)ccc21 289866339 RFWSQKOYCUPHBM-BXUZGUMPSA-N 299.386 3.515 30 20 CHED COc1ccccc1[C@]1(C)C[C@H]1Nc1ccc(C#N)cc1 462891422 GIZJRZYSQIOICS-MSOLQXFVSA-N 278.355 3.709 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 550701089 HONXMGJSBHENBX-UONOGXRCSA-N 251.414 3.920 30 20 CHED C=CC[C@@H](CC)NC(=O)NC1(Cc2ccccc2)CCC1 466403497 FXJHYVWOXJCPRM-MRXNPFEDSA-N 286.419 3.806 30 20 CHED CC(C)(C#N)CCOc1ccc(N2CCCC2)cc1 282053107 XXWUZXVSPRSMOD-UHFFFAOYSA-N 258.365 3.605 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(OCC(C)C)c1 280599731 PCUBRTXSLQJGBR-UHFFFAOYSA-N 298.342 3.747 30 20 CHED C=CCCCCCCCCNC(=O)Cc1cccnc1 288447049 VWLPUFZKDBRCEC-UHFFFAOYSA-N 274.408 3.657 30 20 CHED C=CCN(C)C(=O)NC1CCC2(CCCCC2)CC1 468767657 ARNWFOTYDUVEBB-UHFFFAOYSA-N 264.413 3.707 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1ccnn1C(C)C)C2=O 280074811 QKDCKOPYYRLITI-UVTDQMKNSA-N 296.370 3.685 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(OCCN(C)C)cc1 467405618 QRBXCERMPZTZCL-NVXWUHKLSA-N 290.451 3.632 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCN1CCC)c1ccco1 556924647 UASKQWCGFPJWCJ-HOTGVXAUSA-N 276.424 3.751 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@H](C)c1ccc(F)cc1 280618780 KUANMVFSWFLHRN-QRTARXTBSA-N 277.383 3.500 30 20 CHED Cc1ccc(CC(=O)N[C@@](C)(C#N)C2CCCCC2)cc1 557899579 KLTGDLAJQRGDEY-SFHVURJKSA-N 284.403 3.516 30 20 CHED C=CCCCCNC(=O)Nc1ncc(CCC)s1 473776889 OUIMELKFHUTOKS-UHFFFAOYSA-N 267.398 3.573 30 20 CHED C=CCCCCCCNC(=O)NCCCc1nccs1 291894961 MCRBMNBBYXEQDP-UHFFFAOYSA-N 295.452 3.511 30 20 CHED N#Cc1cnccc1/C=C\c1cnc(C2CCC2)s1 556777623 PXTOXKAKQRCCCS-PLNGDYQASA-N 267.357 3.848 30 20 CHED C=CCN(CCC#N)C[C@H](OC(C)C)c1ccccc1 292038490 AFXGHLWLIXSIBO-KRWDZBQOSA-N 272.392 3.554 30 20 CHED CC(C)(C)c1ncc(/C=C2/CCc3ccccc3C2=O)cn1 806565218 KBSWMYHLZMCFGJ-GDNBJRDFSA-N 292.382 3.987 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](c2ccccc2)C1 647072533 NHKURTHEBSWQIG-WMZOPIPTSA-N 271.404 3.995 30 20 CHED N#Cc1c(Cl)nsc1N1CCc2cc(F)ccc21 800887520 UZWOVRKUQGLWPZ-UHFFFAOYSA-N 279.727 3.501 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 562925619 QCODFGAIDZQMLS-LEUOFYLZSA-N 296.414 3.708 30 20 CHED C=C(C)CN(CC)C(=O)Nc1snc2ccccc12 640246386 KNCGUBXSRGJYSW-UHFFFAOYSA-N 275.377 3.726 30 20 CHED C#Cc1ccc(CNCCc2csc(C(C)(C)C)n2)cc1 809630206 OVYOXCYBKGBHLK-UHFFFAOYSA-N 298.455 3.754 30 20 CHED N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)s1 292492652 BSSVLRACULRNGJ-MQMHXKEQSA-N 286.375 3.795 30 20 CHED CCCOc1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 294463561 LSKYXUSPKDTHFY-GOSISDBHSA-N 298.386 3.888 30 20 CHED CCc1cnc(SCC#Cc2ccc(Cl)cc2)[nH]1 474395186 RPLKLTQITRNWPT-UHFFFAOYSA-N 276.792 3.769 30 20 CHED COc1ccc(C#N)cc1NC(=O)C(C1CCC1)C1CCC1 564096810 CTTQEJJCTCAFNU-UHFFFAOYSA-N 298.386 3.722 30 20 CHED C=CCCCCCCNC(=O)Nc1cccc2c1OCO2 806403383 DKNHMLUQFLGPGY-UHFFFAOYSA-N 290.363 3.673 30 20 CHED CC[C@H]1CCC1=NNc1ncccc1C(F)(F)F 807963283 PARACMNYHYCRMT-QMMMGPOBSA-N 257.259 3.688 30 20 CHED C=CCOc1ccc(CNCC(F)(F)F)cc1Cl 470244810 DSUMRUKKQKKTPT-UHFFFAOYSA-N 279.689 3.557 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCF 296481924 AYQWEEVKSZCILP-LLVKDONJSA-N 295.383 3.514 30 20 CHED C[C@@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CC1 567445076 FUFGLIUTEOGPNV-NSHDSACASA-N 282.309 3.530 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](OC)CC2)CCCCC1 649371872 HVRLNGFYYAYBAQ-HNNXBMFYSA-N 279.424 3.541 30 20 CHED C[C@H](c1ccccc1Cl)N(C)C(=O)CCCC#N 292742861 VEBFKEKOLFIUQQ-LLVKDONJSA-N 264.756 3.553 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1csc(CC)n1 293170387 SPIZLPZVZBKWAG-LLVKDONJSA-N 295.452 3.668 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CCC2(CCCC2)C1 802602980 VUUVRTNAERDWDX-UHFFFAOYSA-N 286.423 3.502 30 20 CHED C[C@H]1CC[C@@H](C=NNc2cc(F)c(F)cc2F)C1 800812541 HGTGDXFCFNUXML-DTWKUNHWSA-N 256.271 3.938 30 20 CHED C#Cc1ccc(CN[C@@](C)(CC)c2nc(C)cs2)cc1 809620241 FXZKRJBTCBHYOF-KRWDZBQOSA-N 284.428 3.848 30 20 CHED C#Cc1ccc(CNCCCCN(C)c2ccccc2)cc1 809608802 UOUONDFEAQORQJ-UHFFFAOYSA-N 292.426 3.674 30 20 CHED CC[C@@H](NCCc1ccc(C)nc1)c1ccc(C#N)cc1 569312423 HNGJSTLOHDRMTE-GOSISDBHSA-N 279.387 3.545 30 20 CHED CC[C@@H]1C[C@H](C)CCC1=NNC[C@H]1CCSC1 811662101 CHNDIISZCBYZFJ-JHJVBQTASA-N 254.443 3.531 30 20 CHED C=CC[C@H](CC)NCc1cc(O)cc(C(F)(F)F)c1 566591107 RYLLOZBKNPBEGM-LBPRGKRZSA-N 273.298 3.855 30 20 CHED CN(Cc1ccc(F)cc1Br)CC(C)(C)C#N 560569291 FXHCAFRDNSCMIF-UHFFFAOYSA-N 299.187 3.570 30 20 CHED C=CCC(F)(F)C(=O)NCC(C)(C)c1ccccc1C 815213808 GCLJYZZVDDKSFK-UHFFFAOYSA-N 281.346 3.600 30 20 CHED C=CC[C@H](CC)NC(=O)N(Cc1ccc(Cl)cc1)OC 813155229 SOEQMLCXKXLBOE-AWEZNQCLSA-N 296.798 3.768 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cc(C)cc(Br)c1 486378988 MAMJJNJZTOYRSI-JTQLQIEISA-N 297.196 3.844 30 20 CHED CC(C)c1cnc(C=NNC2CCCCC2)s1 814910472 XLYMRIQXMHOGKF-UHFFFAOYSA-N 251.399 3.523 30 20 CHED C=C[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1O 815588683 VXEYCOWNYHNGEB-DTWKUNHWSA-N 259.271 3.636 30 20 CHED O=C1/C(=C\c2cccc(O)c2)Oc2cccc(Cl)c21 811699691 VXYSCLISOLURRY-MDWZMJQESA-N 272.687 3.662 30 20 CHED Cn1cc(CN2CC[C@H](c3ccc(Cl)cc3)C2)cc1C#N 483258726 VGYRFADWQVXNKU-HNNXBMFYSA-N 299.805 3.540 30 20 CHED CC[C@@H](C)CON=C1CC[C@H]2CNc3cccc1c32 814939677 YQWSMCUADUPOIX-NEPJUHHUSA-N 258.365 3.756 30 20 CHED C=CCCCCCCCNC(=O)c1c(C)nn(CC)c1C 813256866 MKVNCKGRCLVSLZ-UHFFFAOYSA-N 291.439 3.776 30 20 CHED c1ccc(C[C@@H]2CCC(=NNCCc3ccccn3)C2)cc1 814924796 BSUQBFFHNXKIQO-KRWDZBQOSA-N 293.414 3.613 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@H](O)C1CCCCC1 727685586 STDYOZQBYJBXTN-GUBFPNNNSA-N 297.398 3.906 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@@H]2CC2(C)C)c1 488364143 GUJAWVDGZKOYHR-CQSZACIVSA-N 274.364 3.514 30 20 CHED CCCC[C@H](SCc1cccc(F)c1C#N)C(=O)OC 488280168 QATWRWKKVLAAJK-AWEZNQCLSA-N 295.379 3.662 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(N(C)C)c(F)c2)ccc1O 728231576 LSTUIFJPFWOUDJ-YVMONPNESA-N 299.345 3.802 30 20 CHED C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)CC)cc1OC 729078112 JVHUTBFLZVNPEJ-FROQITRMSA-N 290.359 3.615 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC1(Cl)Cl 823624065 PLHXIHSIAMWCPP-GXFFZTMASA-N 283.202 3.745 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H]1CCC[C@H]1CC 497610015 LUECFIGZKREDBX-ZBFHGGJFSA-N 290.407 3.598 30 20 CHED CC1(C)CCCN(C[C@]2(C)CC2(Cl)Cl)[C@H]1C#N 829244533 YGYWXYMZJJPAFQ-JQWIXIFHSA-N 275.223 3.584 30 20 CHED C=C[C@H](CC(=O)OC[C@@]1(C)C[C@@H]1F)c1ccccc1 822121734 YTAFSLPNACVQDD-IVMMDQJWSA-N 262.324 3.638 30 20 CHED CC[C@H](c1ccccc1)N(CC)C(=O)C#CC(C)C 824528654 ALNNOOHEVIUYNJ-MRXNPFEDSA-N 257.377 3.646 30 20 CHED C#CCCOC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 727042903 VIFSQLVPAFAARS-UHFFFAOYSA-N 282.126 3.655 30 20 CHED C=CCC(CC=C)C(=O)N(C)Cc1cccc2[nH]ccc12 495100849 KKAWAUUCSDHAMC-UHFFFAOYSA-N 282.387 3.895 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1sc(C)nc1C 726738361 UZWVLRMFRRCVDU-UHFFFAOYSA-N 290.348 3.504 30 20 CHED CC[C@H](NCc1ccc(C#N)cn1)C(C)(C)c1ccccc1 580565570 AKBHROGUNGLJJZ-SFHVURJKSA-N 293.414 3.799 30 20 CHED CC1(C)CC[C@H](OC(=O)[C@@]2(C#N)CC23CCCC3)C1 820719378 WKGGFEQGOCDZDF-LRDDRELGSA-N 261.365 3.582 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CSc2ccccc21 495214009 ZHUGOWYPKJYEBB-TZMCWYRMSA-N 288.416 3.584 30 20 CHED C=CCN(Cc1cccs1)Cc1ccnn1CC1CC1 667484207 CTHOFQUGHUCGCC-UHFFFAOYSA-N 287.432 3.543 30 20 CHED CC(C)(CC#N)CSc1nc2ncc(Cl)cc2o1 901674307 YECSQQILSBEHGP-UHFFFAOYSA-N 281.768 3.908 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H](C)Cc1ccsc1 663772067 CIIJARHXTGGFGG-GFCCVEGCSA-N 280.437 3.723 30 20 CHED C[C@@H]1CCCC[C@H]1c1noc(CCCCCC#N)n1 589122046 GBKPISSLSHLIPF-CHWSQXEVSA-N 261.369 3.990 30 20 CHED CCc1ccc(COC(=O)[C@]2(C#N)CC23CCCC3)cc1 837906844 RXWSXGHADDNMPN-GOSISDBHSA-N 283.371 3.766 30 20 CHED CCN(C)c1ccc(/C=C2\CCc3ccccc3C2=O)cn1 588579860 YZADZRIFKAYWSV-FOWTUZBSSA-N 292.382 3.750 30 20 CHED CC(C)n1cncc1/C=C1\CCc2ccccc2C1=O 901416385 GPOOQHCHWFSGNI-NTEUORMPSA-N 266.344 3.677 30 20 CHED COc1ccccc1[C@H]1CCCCN1C(=O)C#CC(C)(C)C 837400246 PTKQAVGKBUDJOT-MRXNPFEDSA-N 299.414 3.798 30 20 CHED O=C(N(O)Cc1ccc(F)cc1)C1(c2ccccc2)CCC1 901375909 NKEGXRWYMSRLBB-UHFFFAOYSA-N 299.345 3.665 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@H]1CCc2ccccc2C1 583998446 TWKQTIGTXIVTKN-SFHVURJKSA-N 298.430 3.580 30 20 CHED C=CC(C)(C)COC(=O)C[C@@H](CC#N)c1ccccc1 835722829 XJLJGMUZAJDVRT-OAHLLOKOSA-N 271.360 3.829 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 581764713 QDXHSBFZXOXAMY-ZJUUUORDSA-N 280.334 3.617 30 20 CHED C=CCC[C@@H](NCc1cc(C)ccc1OC)C1CC1 678581353 REFXKTLEACOKLC-MRXNPFEDSA-N 259.393 3.838 30 20 CHED CC[C@@H](NCC(C)(C)CCC#N)c1cccc(C#N)c1 902990356 VPUYPPQWDJBDKC-MRXNPFEDSA-N 269.392 3.929 30 20 CHED C=CC1CCN(C(=S)Nc2ccc3c(c2)CCC3)CC1 731942052 FRUQXJMYDCLNSB-UHFFFAOYSA-N 286.444 3.770 30 20 CHED CCc1nc(C)c(C(C)=NNc2cccc(C#N)c2)s1 735226869 DFUXJZKDZZOINQ-UHFFFAOYSA-N 284.388 3.722 30 20 CHED C#CCOc1ccccc1CNC(=O)[C@@H](C)CC1CCCC1 734106447 DTXKSFZDCILLCS-HNNXBMFYSA-N 299.414 3.531 30 20 CHED C=CCC[C@@H](C)OC(=O)c1cccc2ccncc12 830109617 WBVDJSBZBWCJGO-GFCCVEGCSA-N 255.317 3.746 30 20 CHED CCCCCCC[C@@H](C)CN[C@H]1CCn2ccnc21 834527191 XUJIKJWKHDUCSS-CABCVRRESA-N 263.429 3.914 30 20 CHED CC(=NNc1cc(C)ncn1)c1cccc(Cl)c1Cl 734979144 KLIMEKCMOKJTSG-UHFFFAOYSA-N 295.173 3.928 30 20 CHED C=C(CNC(=O)Nc1cc(F)ccc1F)c1ccccc1 672599053 VCGSVZBTBOEONL-UHFFFAOYSA-N 288.297 3.800 30 20 CHED Cc1nc(N2CCS[C@@H](c3ccccc3)C2)ccc1C#N 589864976 MAWLGJJGIDEBLH-MRXNPFEDSA-N 295.411 3.556 30 20 CHED Cc1ccc(C)c(C=NNCc2cccc3cccnc23)c1 915959924 VIUKRSAUOXRPRD-UHFFFAOYSA-N 289.382 3.975 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCC[C@H]1CC)C(C)C 918074387 NDHBAYBJGMTDQE-ZIAGYGMSSA-N 252.402 3.561 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2cc(Cl)ccc2s1 597508014 OVPKZGUDRRJXLP-LLVKDONJSA-N 292.791 3.977 30 20 CHED CC(=NNc1cncc(Cl)n1)C1C(C)(C)C1(C)C 746567128 WREVMFCARVAMHS-UHFFFAOYSA-N 266.776 3.600 30 20 CHED Cc1nnc([C@H](C)ON=Cc2ccc(C(C)(C)C)cc2)o1 742349441 XISKVRIWUBPOIP-NSHDSACASA-N 287.363 3.787 30 20 CHED N#CCC1(CSCc2cc(Cl)c3c(c2)OCO3)CC1 596324526 ZODWLBZGUINBGN-UHFFFAOYSA-N 295.791 3.996 30 20 CHED N#CC1(Cn2cc(-c3ccccc3F)nn2)CCCCC1 594657643 DCHIPFHPKDKFKO-UHFFFAOYSA-N 284.338 3.558 30 20 CHED C=C(C)COC(=O)COc1cc(C)ccc1C(C)C 916586943 LFIFLIQBWYIUKM-UHFFFAOYSA-N 262.349 3.617 30 20 CHED COc1cc(C(C)=NNc2cc(C)cc(C)c2)ccc1O 916346657 NDMXTXBVXOLUMO-UHFFFAOYSA-N 284.359 3.854 30 20 CHED N#Cc1ccc(N2CCC[C@H](c3ccc(F)c(F)c3)C2)nc1 599119850 VRXJBBMNRDFSDL-AWEZNQCLSA-N 299.324 3.615 30 20 CHED C#CCOc1cc(F)ccc1NCc1cc(C)ccc1F 742376071 LQFGFJNOOKWIIL-UHFFFAOYSA-N 287.309 3.897 30 20 CHED C=C(C)CCN[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 387405818 LTWKFYKBNDFFMB-LSDHHAIUSA-N 296.455 3.578 30 20 CHED CC(C)(C#N)CCCSc1n[nH]c2nc3ccccc3n12 747807762 UUCHPYFDELCOHZ-UHFFFAOYSA-N 299.403 3.633 30 20 CHED FC(F)(F)CC(=NOCc1cccnc1)c1ccccc1 746586394 XVHUFNLCJNMFHW-UHFFFAOYSA-N 294.276 3.955 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](CC)c1ccc(Cl)cc1 844285528 VQGFYIZFIXOOPC-MFKMUULPSA-N 282.771 3.596 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@H](CC)[C@@H]2C[C@H]2C)c1 840731026 YDDGIFZOEQRCCX-MOIQIXESSA-N 286.419 3.892 30 20 CHED C[C@@H](C#N)N(C(=O)CCCC1CCCCC1)C1CC1 598123210 JZSIJGFMZRQZEN-ZDUSSCGKSA-N 262.397 3.640 30 20 CHED C=CCN(C(=S)Nc1cccc(Cl)c1)[C@H](C)COC 849277490 ZCSDXDFLGXHHES-LLVKDONJSA-N 298.839 3.560 30 20 CHED C=CCCn1cc(CNc2ccccc2NC(C)(C)C)nn1 848661972 CRJQJNZCJACOQD-UHFFFAOYSA-N 299.422 3.677 30 20 CHED CC(C)SCC(=O)N(c1ccc(C#N)cc1)C1CCC1 598885590 NWDWDSMGAUWESR-UHFFFAOYSA-N 288.416 3.585 30 20 CHED N#CC1(CC(=O)OCc2cc(F)cc(F)c2)CCCCC1 849906837 KHXFWRLJYRPLOS-UHFFFAOYSA-N 293.313 3.872 30 20 CHED Cc1cccc2cc(C(=O)OCCCCC#N)oc12 747265020 YLRKJLAIQVKSMC-UHFFFAOYSA-N 257.289 3.592 30 20 CHED Cc1ccc2sc(CN(C)CC(C)(C)C#N)nc2c1 599427541 RTAXSHALUVHLFP-UHFFFAOYSA-N 273.405 3.586 30 20 CHED Fc1ccc2c(c1)C(=NNc1cccc(Cl)c1)CO2 918153745 LQVKJZPPTRSEEI-UHFFFAOYSA-N 276.698 3.688 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)[C@H](C)CSc1ccccc1 593219773 YAMMENUDRHLTLY-CJNGLKHVSA-N 290.432 3.565 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1ccnn1C(C)C)C2 841488603 UAEBSCVXBUSKBS-GXDHUFHOSA-N 266.344 3.595 30 20 CHED N#Cc1ccc(SCCCCCCCO)c(F)c1 742452994 IBVNZGZIAOAAMG-UHFFFAOYSA-N 267.369 3.732 30 20 CHED CO[C@H](C)c1nc(CON=Cc2cccc(F)c2)cs1 747826371 ICEWXCORFYDYJI-SNVBAGLBSA-N 294.351 3.540 30 20 CHED CC(CCCCC#N)=NNc1nccnc1C1CCC1 841638482 UJWWALYPBRLVGJ-UHFFFAOYSA-N 271.368 3.616 30 20 CHED C=CCN(C(=O)[C@@H](C)Oc1cc(C)ccc1Cl)C(C)C 916382914 CCFXLWZDLFIRMT-CYBMUJFWSA-N 295.810 3.839 30 20 CHED CC(C)Cn1nccc1/C=C1\CCc2ccccc2C1=O 843266564 XLHAYWBHZAGIAP-RVDMUPIBSA-N 280.371 3.752 30 20 CHED CCCc1ccc(C(C)=NNc2ccc(Cl)nn2)cc1 916287539 CCGSXNDWYYUIGD-UHFFFAOYSA-N 288.782 3.919 30 20 CHED CN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccc(C#N)cc1 592601389 JEWSLUQJNYIPPT-DZGCQCFKSA-N 270.376 3.593 30 20 CHED C=C(Br)CN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 841746362 FLWCXCVHJOXLJE-GARJFASQSA-N 286.238 3.738 30 20 CHED CCC(CC)Oc1ccc(C(=O)N(C)[C@H](C#N)CC)cc1 594082805 CWNBABGTSVMGRF-AWEZNQCLSA-N 288.391 3.628 30 20 CHED CCC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1ccccn1 597160655 LLJQODOYLXWANJ-MRXNPFEDSA-N 299.418 3.903 30 20 CHED CC(C)C[C@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597909555 NEZKZYYDBZRDTD-WMZOPIPTSA-N 298.430 3.969 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccc(Cl)c(F)c2)cc1 747636641 NEHKHYYPZMGRHW-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C=C(CN[C@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 684112824 CTQOQRSQYPQEHF-ROUUACIJSA-N 295.430 3.749 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cccc(OC2CCCC2)c1 844500883 VLFNGOWXZJVCKM-GFCCVEGCSA-N 290.363 3.636 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CC[C@H](C)CC1)c1ccccn1 845458323 HLEUFKDZUNYCTC-DZKIICNBSA-N 271.360 3.516 30 20 CHED C=C[C@H](CC)CC(=O)N1CCc2sccc2[C@@H]1C 929464885 SSKNHVFDTPKTEN-NWDGAFQWSA-N 263.406 3.796 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(O)c(F)c1 755595312 YDTOQYUSPRBFCZ-HWKANZROSA-N 262.305 3.797 30 20 CHED CC#CCCCC(=O)N1CC(C)(C)c2ccccc21 681001042 OIEPATHQTKMPSV-UHFFFAOYSA-N 255.361 3.504 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C\CCC 920741140 HBOYOGMTZREVDV-FPLPWBNLSA-N 273.376 3.566 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ccc2ncccc2c1)OCC 756542677 IUSVAAGQJHIBOB-QGZVFWFLSA-N 299.370 3.649 30 20 CHED COCC(=NNc1cc(F)cc(Cl)c1)C(C)C 853397122 WSTIEMBHUXSMBP-UHFFFAOYSA-N 258.724 3.549 30 20 CHED C#CCCCCNC(=O)N(Cc1ccccc1)CC(C)C 758887653 DGTAUVWVRAGTIY-UHFFFAOYSA-N 286.419 3.658 30 20 CHED CCCCCCCCCN(C)C(=O)NC[C@@H]1CCCCO1 920349904 XNCXEXZZRVKBQB-INIZCTEOSA-N 298.471 3.948 30 20 CHED C=CCC[C@H](CC)NCc1ccc(N(C)C(C)=O)cc1 858496442 NNJHYIDRRYNMMV-INIZCTEOSA-N 274.408 3.504 30 20 CHED C(=NOCC1CCC1)c1cnc(C2CCC2)s1 853440004 VZZAIESEMNEVJV-UHFFFAOYSA-N 250.367 3.561 30 20 CHED CSc1cc(-c2cn(C)nc2C(C)C)ccc1C#N 854173911 UYWUWXDNEHBGNY-UHFFFAOYSA-N 271.389 3.804 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(F)cc1F 924544939 LJWYDYSKPXCZRH-QWRGUYRKSA-N 266.335 3.944 30 20 CHED CC[C@@H](C)N(CC)C(=O)Nc1ccc(C#N)c(Cl)c1 929257340 PJLSKQKAJJXSES-SNVBAGLBSA-N 279.771 3.864 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)C[C@H](C)n1ccnc1 851143507 LWLMTKRFIZCKQM-RRFJBIMHSA-N 276.380 3.512 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCc1ccc(F)cc1 920943392 XEAVRJQDMRMLRH-ZDLGFXPLSA-N 277.726 3.846 30 20 CHED CCn1nc(C)c(C=NNc2ccc(Cl)c(F)c2)c1C 755754572 ZWSZTUOLCMSFRI-UHFFFAOYSA-N 294.761 3.758 30 20 CHED CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3ccccc3)cc21 759122119 WKDABVQBWAUTPQ-FLIBITNWSA-N 291.350 3.812 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)O[C@H](C)CC(C)(C)C#N)C1 851209129 JDFLVRJDRKSSTK-JHJVBQTASA-N 251.370 3.684 30 20 CHED CC(=NN(C)C[C@H](C)O)[C@@H](C)c1ccc(CC(C)C)cc1 853357687 XVSYXUTVGGDKPO-LSDHHAIUSA-N 290.451 3.677 30 20 CHED C#CC[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1 756953325 MIQMJCHGIDCCRE-GFCCVEGCSA-N 291.276 3.672 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@](C)(C#N)CCc1ccccc1 932438121 HSEQVOHPBMGATJ-YJBOKZPZSA-N 284.403 3.620 30 20 CHED Cc1ccccc1-c1ccccc1C(=O)NCC1(C#N)CC1 935784652 QAFXSQAPQZDHOP-UHFFFAOYSA-N 290.366 3.696 30 20 CHED C[C@@H](Cc1ccco1)Nc1nc(C(C)(C)C)ccc1C#N 767181554 LXHJNTIWAZAYQW-LBPRGKRZSA-N 283.375 3.887 30 20 CHED CC(C)[C@H]1CCCN(C(=O)Nc2sccc2C#N)CC1 864255110 JDTGBXYAYPBTIA-LBPRGKRZSA-N 291.420 3.910 30 20 CHED C/C=C(\C)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 760967094 BDWCPCSCZFCLKI-RZCNENHTSA-N 289.285 3.574 30 20 CHED N#Cc1ccc(O)c(NC(=O)c2ccc3sccc3c2)c1 761571337 ICUWOKYHAHAZKY-UHFFFAOYSA-N 294.335 3.731 30 20 CHED CCCCCCCOC(=O)Cc1nc(C)sc1C 767549950 XEHNCSYCDJGKRL-UHFFFAOYSA-N 269.410 3.816 30 20 CHED COc1cc(OC(=O)c2sccc2C2CC2)ccc1C#N 767157867 XUPIHIXNHWPYNE-UHFFFAOYSA-N 299.351 3.725 30 20 CHED CCCCCCCCN1C(=O)N[C@@H](c2cccs2)C1=O 760925258 JRYOEIGYLIDQHJ-ZDUSSCGKSA-N 294.420 3.702 30 20 CHED COc1ccc(/C=C/C(=O)c2cncc(C)c2)c(Cl)c1 767367508 OOUKMHYYXFVGFO-GQCTYLIASA-N 287.746 3.948 30 20 CHED CCc1nn(C)c(Cl)c1C=NNc1c(C)cccc1F 769827807 MBMKILWEQNJSHP-UHFFFAOYSA-N 294.761 3.529 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc([N+](=O)[O-])cc1F 769842153 ZCWRSHVWCIHYHC-UHFFFAOYSA-N 291.257 3.627 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1occc1C 767779715 QBJNFPXXVIBZJX-UHFFFAOYSA-N 273.292 3.641 30 20 CHED C[C@@H](CCc1ccc(F)cc1)NCc1ccc(C#N)cc1 765015122 PNKUOYYWNWACED-AWEZNQCLSA-N 282.362 3.808 30 20 CHED COc1cccc(C=NOCCc2ccc(C)cc2)c1OC 767930727 HNFVBOFRLIXOSY-UHFFFAOYSA-N 299.370 3.605 30 20 CHED COc1ccc([C@H](C)C(C)=NOCC(F)(F)F)cc1 764835693 NNBVFSSBNWBUOC-SECBINFHSA-N 275.270 3.754 30 20 CHED C#CCCCN[C@@H]1CCCOc2c(C)cc(Cl)cc21 769876074 QMWJLLBHSAAXSZ-OAHLLOKOSA-N 277.795 3.865 30 20 CHED COc1cc(/C=C\C(=O)c2ccco2)c2c(c1)C[C@@H](C)O2 769784205 QUDTUBHHWIAZJK-ISALQUGTSA-N 284.311 3.508 30 20 CHED CCCC[C@H](CC)COC(=O)c1ccc(C#N)c(C)n1 1116603774 QKGIJZUOWVTEJX-ZDUSSCGKSA-N 274.364 3.635 30 20 CHED COc1ccc2cc(C(=O)OCC(C)(C)C#N)sc2c1 870277191 WSBSBMIBPZVKPG-UHFFFAOYSA-N 289.356 3.616 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2ccc3c(c2)CCC3)s1 1116139035 DOZKONJIYLXTTA-FNORWQNLSA-N 298.363 3.831 30 20 CHED Cn1c(C(=O)O[C@H](C#N)C2CCCCC2)cc2ccccc21 776380900 OGRWIJDMQHITHN-QGZVFWFLSA-N 296.370 3.808 30 20 CHED COc1ccccc1CC(C)=NOCCC(F)(F)F 777462918 RLQCVOGNHSBEIQ-UHFFFAOYSA-N 275.270 3.583 30 20 CHED COc1ccc2cc(/C=C\C(=O)OC[C@@H](C)C#N)ccc2c1 770941681 ICWPNLOOOGIQSL-UKOWJOKBSA-N 295.338 3.564 30 20 CHED C#C[C@H](C)NC(=O)c1sc2cccc(C)c2c1Cl 772974300 CKGWRXVINBLQOB-VIFPVBQESA-N 277.776 3.615 30 20 CHED C=CCN(C)C(=O)c1sccc1-c1ccc(F)cc1 777841162 BRGQYJJDQFWCFP-UHFFFAOYSA-N 275.348 3.812 30 20 CHED C#CCCCCCC(=O)N1CCCc2cc(OC)ccc21 779760892 YSCRJWINAHGNDS-UHFFFAOYSA-N 285.387 3.558 30 20 CHED CC(C)OCCNN=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 778553276 AKBAKUGSGMOPFT-WBVHZDCISA-N 288.435 3.961 30 20 CHED C=CCC1(NC(=O)[C@@H]2C[C@H]2c2ccncc2)CCCCC1 1121220345 VEPOGLVITYKXNU-JKSUJKDBSA-N 284.403 3.580 30 20 CHED C=CCC[C@H](C(=O)O[C@@H]1CCSC1)c1ccccc1 778631931 LYCZMJNXCNTSEQ-CABCVRRESA-N 276.401 3.785 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc([C@H](C)C(=O)OC)c1 880283564 ZRCJFCPZNVSONB-LBPRGKRZSA-N 289.375 3.504 30 20 CHED C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(C#N)cc1 777702214 RDSCHFMTEHGMEE-CYBMUJFWSA-N 297.377 3.932 30 20 CHED COc1ccc(CCC(C)=NNc2cccc(OC)n2)cc1 779819980 ZIAIPAAXOGDTQQ-UHFFFAOYSA-N 299.374 3.519 30 20 CHED C#CC[C@@H](NC(=O)[C@H](C)c1ccccc1)c1ccccc1 772191504 RVYWJJYYBRMEII-CRAIPNDOSA-N 277.367 3.671 30 20 CHED C#CCC1(C(=O)OCc2nc(C)sc2C)CCCCC1 788213231 VDEYTPGUKUSIAF-UHFFFAOYSA-N 291.416 3.777 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1csc(Cl)c1 787164384 ZFWIZOAHVLEQPK-LLVKDONJSA-N 259.758 3.669 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCC[C@H]1CCCC[C@H]1C 1126126663 MCVCWSYOMVUZOI-CZUORRHYSA-N 284.403 3.813 30 20 CHED CC[C@@H]1CCC[C@@H](C=NNc2nc(C)cc(C)n2)C1 783773456 YETPROGEJAUNRG-ZIAGYGMSSA-N 260.385 3.708 30 20 CHED C=CC(C)(C)CC(=O)NCc1cnccc1C(C)(C)C 880283449 KRIZEHZDYHHDTI-UHFFFAOYSA-N 274.408 3.598 30 20 CHED Cc1cc(CONC(=N)c2cccc(Cl)c2)ccc1C#N 783008475 AHMJJTUHBXIZEL-UHFFFAOYSA-N 299.761 3.567 30 20 CHED C[C@@H](CCNC(=O)c1cccc(C#N)c1)CC(C)(C)C 1128118712 UCAZOQZFRLGLER-ZDUSSCGKSA-N 272.392 3.750 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cnc(C(C)(C)C)s1 783186762 WFIXKXGOEBGYFB-UHFFFAOYSA-N 294.420 3.927 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1nsc2ccccc12 892726119 AQUXEWXQNZKTED-UHFFFAOYSA-N 287.388 3.589 30 20 CHED COc1ccc(C(=O)OCCCC(C)(C)C#N)c(Cl)c1 783577253 QMSNDIHXLRBLIY-UHFFFAOYSA-N 295.766 3.835 30 20 CHED CC(C)(C#N)CNC(=O)c1ccc(-c2ccccc2)cc1 782099498 UOWAIWYOLMGTAQ-UHFFFAOYSA-N 278.355 3.633 30 20 CHED Cc1c[nH]c(-c2ccc(NC(=O)CCCCCC#N)cc2)n1 898385699 RBUPFZKBRDXPGF-UHFFFAOYSA-N 296.374 3.798 30 20 CHED COc1ccc(NN=CCCCCOc2ccccc2)nc1 780266003 YYBKCPDEODSNLY-UHFFFAOYSA-N 299.374 3.737 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNCCc1ccccc1F 783854333 ORDZOHYKPAZGNJ-OLZOCXBDSA-N 262.372 3.770 30 20 CHED C#CCCCCCC(=O)OCC#Cc1cccc(Cl)c1 780259322 WYMWVUZVYFTPTP-UHFFFAOYSA-N 288.774 3.818 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H](C)[C@@H]2C)CCCCC1 788447586 IQVYXTLJNZZGIG-CABCVRRESA-N 261.409 3.607 30 20 CHED Cc1cc(COC(=O)[C@H](C)c2ccccc2)ccc1C#N 784675884 LASLSDSXRNHYCO-CQSZACIVSA-N 279.339 3.714 30 20 CHED CCc1cccc(Cl)c1/C=C/C(=O)c1cn(C)nc1C 788734771 YZNJYIDKJNCZFR-CMDGGOBGSA-N 288.778 3.840 30 20 CHED C=CC[C@@H](NCc1cc2ccccc2[nH]1)c1ccncc1 788517038 YVLIQTKPLVRYNY-QGZVFWFLSA-N 277.371 3.970 30 20 CHED C=C1CCC(C(=O)N2Cc3ccccc3O[C@@H](C)C2)CC1 897831892 VFAPWXNOLMAMEF-AWEZNQCLSA-N 285.387 3.543 30 20 CHED Cc1cc(C=NNCc2cccc(Cl)c2)cc(Cl)n1 788718403 RCQPLGUHQOTIBJ-UHFFFAOYSA-N 294.185 3.821 30 20 CHED Cc1csc(C(=O)OCC2(C#N)CCC2)c1Cl 791878619 NRUDSVMFXUAVMD-UHFFFAOYSA-N 269.753 3.561 30 20 CHED CC1(CC(=O)N2CCCc3nc(C#N)ccc32)CCCCC1 892399379 CMVGDMOVFBWGKF-UHFFFAOYSA-N 297.402 3.593 30 20 CHED C[C@H](Nc1cccc2c1CCO2)c1ccc(OCC#N)cc1 794836489 ONZMFYALCKOVIK-ZDUSSCGKSA-N 294.354 3.697 30 20 CHED CC(C)C1CCC(C=NNc2cncc(Cl)n2)CC1 794891311 MQBCZAPWARKZOZ-UHFFFAOYSA-N 280.803 3.990 30 20 CHED CC[C@@H](C)CON=C(C)C[C@@H](C)NC(=O)OC(C)(C)C 793157551 CCFGIAAWNOXDTJ-VXGBXAGGSA-N 286.416 3.728 30 20 CHED C=C(C)COC(=O)CCC(=O)c1ccc2ccccc2c1 792495632 BSIJRHWMJSFMCV-UHFFFAOYSA-N 282.339 3.922 30 20 CHED C#CCCCCCC(=O)Nc1ncc(-c2ccccc2)cn1 797368520 ZZOUXTVDQOYXBM-UHFFFAOYSA-N 293.370 3.666 30 20 CHED C#C[C@@H](CCC)NC(=O)C[C@@H](c1ccccc1)C(C)C 791204824 JUBDVBJBNGIJTD-DLBZAZTESA-N 271.404 3.734 30 20 CHED CC[C@H]1CC[C@H](C)CC1=NNc1nccnc1Cl 797403064 YEXMEVRIETVHAZ-UWVGGRQHSA-N 266.776 3.744 30 20 CHED CC[C@@H](C)NN=Cc1cc(F)cc(C(F)(F)F)c1 790182608 FACRDYFDDOQNJY-MRVPVSSYSA-N 262.250 3.567 30 20 CHED CC(=NNc1ncncc1F)c1cc(Cl)cc(Cl)c1 793217920 NYBHSAYNOOBGNH-UHFFFAOYSA-N 299.136 3.759 30 20 CHED CCC(=NOCc1ccccc1OC)c1ccc(O)cc1 799117529 NJIAHPOKXOYFAQ-UHFFFAOYSA-N 285.343 3.732 30 20 CHED CC(=NN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCOCC1 794541778 SROFTWZBPBYTOD-BFYDXBDKSA-N 278.440 3.593 30 20 CHED Cc1ccc(C)c(C(=O)Nc2ccc(F)cc2C#N)c1 135153986 BTRZUJXDMRJWPT-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC[C@@H]1C[C@H]1CSc1nc2c(c(C)c1C#N)CCC2 1307272229 KICNGZOHMZRRNW-NEPJUHHUSA-N 272.417 3.889 30 20 CHED CC(C)(C)SCCN1CCCC(C)(C)[C@H]1C#N 801951887 ZMKQCIADAPAAOT-GFCCVEGCSA-N 254.443 3.532 30 20 CHED C=CCCC(=O)NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1318322614 VSHRSSKROCPKGR-ILXRZTDVSA-N 251.414 3.777 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@H]1c1cccc(Cl)c1 1321884283 SFIHDIPYIXLBHG-GJZGRUSLSA-N 290.794 3.598 30 20 CHED CC(C)C[C@@H](CNc1ccc(C#N)c(Cl)c1)N(C)C 301247170 OMUXMLKLEDZXAS-AWEZNQCLSA-N 279.815 3.600 30 20 CHED C#C[C@@H](NC(=O)c1cc2ccccc2s1)C(C)(C)C 702236708 RPVNJDTZUIBDRQ-CQSZACIVSA-N 271.385 3.679 30 20 CHED C=CCCSCCNCc1ccc(OC(F)F)cc1 594960245 NVAHSHZAKGZQJX-UHFFFAOYSA-N 287.375 3.687 30 20 CHED C=CCCSCCNCc1ccnc2ccccc12 594960601 VNLQWJMSSXWCOI-UHFFFAOYSA-N 272.417 3.634 30 20 CHED CSC1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 601206894 LLMWSROPZUJPET-UHFFFAOYSA-N 289.448 3.583 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1CCSc2ccccc21 598978414 TUVVBIIBUXMCKH-CYBMUJFWSA-N 288.416 3.670 30 20 CHED N#Cc1cccc(CN2CC[C@H](C3CCCC3)C2)c1F 708816203 BSTIMAHGLVEIGG-HNNXBMFYSA-N 272.367 3.709 30 20 CHED N#Cc1ccc(NC(=O)c2ccoc2Cl)cc1Cl 192393253 LDWKQJZQKNIYTH-UHFFFAOYSA-N 281.098 3.710 30 20 CHED N#CC1CCN(Cc2ccc3ccccc3c2)CC1 195316899 ASHXORFGSVOYGB-UHFFFAOYSA-N 250.345 3.575 30 20 CHED C#CCCN(Cc1ccccc1C(F)(F)F)C1CC1 752854161 GGSICBNFCAIWMW-UHFFFAOYSA-N 267.294 3.693 30 20 CHED Cc1ccoc1CC(=O)N(c1cccc(C#N)c1)C1CCC1 1332587267 GECVWRFTFXGNAV-UHFFFAOYSA-N 294.354 3.588 30 20 CHED Cc1cc(CSc2nccn2C2CC2)ccc1C#N 783114557 XHXWWKRVQJHPCF-UHFFFAOYSA-N 269.373 3.690 30 20 CHED C=CCC[C@H](O)CN1C[C@@H]2CCCC[C@@]21c1ccccc1 1333638363 HRMDEQKYARNBOE-GBESFXJTSA-N 285.431 3.715 30 20 CHED CCCCCCCCCC(=O)[C@@H](C#N)c1nccn1C 1343717195 OOBPVCCVBDFDSY-CQSZACIVSA-N 275.396 3.737 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1csc(C)n1 1348242128 FCNGKODNIUYSLS-CQSZACIVSA-N 278.421 3.717 30 20 CHED C=C(C)CCC(=O)N1CCCSc2ccccc21 1347844135 HIOSEEUFMZEWHH-UHFFFAOYSA-N 261.390 3.872 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1csc(C#N)c1 1264202912 SHJRZBMDPUWUFJ-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1ncc(/C=C/c2nnc(-c3cccc(C#N)c3)o2)s1 1345951216 HQUGGFNWZLGJMV-AATRIKPKSA-N 294.339 3.544 30 20 CHED C=C(C)CCC(=O)N1CCC(OCc2ccccc2)CC1 1262597283 KJAIJYROGNIRKG-UHFFFAOYSA-N 287.403 3.551 30 20 CHED C=CCOc1ccc(CC(=O)N2CCC3(CCCC3)C2)cc1 1347816676 UNTONZRDEHOBGY-UHFFFAOYSA-N 299.414 3.587 30 20 CHED CSc1cc(C)ccc1NC(=O)c1cc(C#N)cs1 1276228680 GSNAVQAZFNAAIR-UHFFFAOYSA-N 288.397 3.902 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)N2CCc3ccc(C#N)cc32)C1(C)C 1458535431 LRGUKQFYZYGCIJ-DJJJIMSYSA-N 296.414 3.910 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCc2c(C#N)cccc21 1529231290 AUYUKLUKJVUMLW-ZDUSSCGKSA-N 284.403 3.910 30 20 CHED O=C(O)c1ccc(NN=C2CCCSCC2)cc1Cl 1602383935 UGGQGCCRZDVVJR-UHFFFAOYSA-N 298.795 3.723 30 20 CHED Cc1ccc(NN=C2CCC[C@H]2CCF)cc1C(=O)O 1607808462 PQXYEXTZYPEOQK-NSHDSACASA-N 278.327 3.621 30 20 CHED Cc1ccc(-c2ccc([C@@H](C)C(=O)O)s2)cc1C#N 1607716568 SANSMPPIMDERTM-SNVBAGLBSA-N 271.341 3.783 30 20 CHED C=CC[C@H](C(=O)O)N1CCC(c2cc(C)ccc2C)CC1 1602835580 SOYQWYCHEWOZSW-QGZVFWFLSA-N 287.403 3.512 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1Cl 1535479786 ZXBLCTPKDDQBKA-YPMHNXCESA-N 277.751 3.888 30 20 CHED CCN(CCC#N)C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 1543457553 HTBLNSSZJVYLQA-NEPJUHHUSA-N 290.329 3.507 30 20 CHED CCCC[C@H](C(=O)Nc1cc(C#N)cc(C)n1)C(C)C 1544534794 MOMPYZIZALCIHY-AWEZNQCLSA-N 273.380 3.663 30 20 CHED C[C@H]1CCCC[C@@]1(C)NCc1cccc(F)c1C#N 1621376443 BVLXFCUCJSZZMQ-BLLLJJGKSA-N 260.356 3.756 30 20 CHED Cc1cccc(C)c1CNc1ccc(CC#N)cc1 215388196 FXNQETVRHQFFFO-UHFFFAOYSA-N 250.345 3.982 30 20 CHED CSc1cc(Cl)ccc1NC(=O)c1cc(C#N)c[nH]1 1557448389 LZHJLZPTEGSXQW-UHFFFAOYSA-N 291.763 3.514 30 20 CHED Cc1nnc(S[C@H]2CC[C@@H](C#N)C2)n1C1CCCCC1 1559316595 RYILJWYZNHWSQE-OCCSQVGLSA-N 290.436 3.876 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1cc(F)cc(C#N)c1 1626925888 WOGRMJWIHHBEHF-NSHDSACASA-N 277.343 3.597 30 20 CHED CCN(C[C@H]1CC[C@H](CC#N)CC1)C(=O)OC(C)(C)C 261508845 XNSSEWVRBFNKFO-HDJSIYSDSA-N 280.412 3.963 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccnc(-c3cccc(Cl)c3)n2)C1 1559218915 WOCADZWOFLEESL-SMDDNHRTSA-N 298.777 3.901 30 20 CHED N#Cc1cc(Sc2ccc(Cl)c(F)c2)ccn1 1642901391 AAVGIRAZNKCHPS-UHFFFAOYSA-N 264.712 3.897 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCCN1C1CCCCC1 1659026302 TZDDUHYENBVWKA-NVXWUHKLSA-N 291.483 3.701 30 20 CHED CC(=O)c1c(F)cccc1OCc1ccc(C#N)s1 1653074207 XADOXMRNXKKLEW-UHFFFAOYSA-N 275.304 3.540 30 20 CHED Cc1[nH]nc(NCc2ccc(-c3ccc(F)cc3)o2)c1C#N 1658083728 LTCBOMHFXFCOBG-UHFFFAOYSA-N 296.305 3.601 30 20 CHED Cc1cccc2oc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)cc12 1596978905 QZZSSBYEDOJZIV-OLZOCXBDSA-N 283.327 3.980 30 20 CHED Cc1cc2c(s1)C/C(=C\c1cc(C(=O)O)cs1)C2=O 1777428109 QFFIQPIOIATEQD-FPYGCLRLSA-N 290.365 3.639 30 20 CHED O=C(O)c1ccc(C=NNc2ccc(Cl)cc2F)cc1 1776105939 JXESHBHRMLRBQW-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=CC[C@@H](CNc1ncc(C(=O)O)s1)c1ccccc1 1776151885 JRXNKNWWAROULJ-LBPRGKRZSA-N 288.372 3.613 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1ccc(F)c(C(=O)O)c1 1776062543 YYZHNMWHRZCYDU-MNOVXSKESA-N 278.327 3.748 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)OCc2ccccc2C#N)C1(C)C 5159103 TXQQAFNZWQFPAS-CVEARBPZSA-N 283.371 3.840 30 20 CHED Cc1ccc(COC(=O)/C=C/c2ccccc2C#N)cc1 11184535 PREGPJSOEUTFBC-ZHACJKMWSA-N 277.323 3.623 30 20 CHED COc1ccccc1[C@H]1CCN(c2ccc(C#N)cc2)C1 150927846 GPZUPVGUTXCPNP-HNNXBMFYSA-N 278.355 3.561 30 20 CHED C=C(C)CNC(=O)c1ccc(OC2CCC2)cc1Cl 161263696 HOMIKJANLZZHMJ-UHFFFAOYSA-N 279.767 3.577 30 20 CHED CCC[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCO1 167355523 MNVNNZDSAVDNPT-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)Nc1sccc1C#N 151140915 VPGJXKNGXIFYTM-JTQLQIEISA-N 288.347 3.576 30 20 CHED C#CCN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 152607595 YEMSUFVMBVTGSH-GXTWGEPZSA-N 267.294 3.564 30 20 CHED C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H](C#N)C(C)(C)C 157740626 KWMSWNDQAVWHPJ-RISCZKNCSA-N 292.810 3.573 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)c1c(C)noc1C 154297587 AVFQHQVDCLSREH-GFCCVEGCSA-N 293.411 3.740 30 20 CHED CCCN(CC#N)C(=O)C/C=C/c1ccc(C(C)C)cc1 154582969 JEQYARBTAYDRMP-AATRIKPKSA-N 284.403 3.975 30 20 CHED CSc1cc(C(=O)Nc2cccc(C#N)c2)ccc1F 154849687 KUZPGWMNJCDYAV-UHFFFAOYSA-N 286.331 3.672 30 20 CHED N#C[C@H]1CCCN(CC2CCC(C(F)(F)F)CC2)C1 932148141 KYZVSFMHPGHQRW-OTTFEQOBSA-N 274.330 3.591 30 20 CHED CCc1nnc(N[C@@H](C)C[C@H](C)CC)c(C#N)c1CC 124996480 BEMYEBOTDCTUPV-NEPJUHHUSA-N 274.412 3.710 30 20 CHED N#Cc1ccc(N[C@H]2CCOC3(CCC3)C2)c(Cl)c1 236032630 AETLOLATSPOFBA-LBPRGKRZSA-N 276.767 3.725 30 20 CHED N#Cc1ccc(N2CCC([C@H]3CCCO3)CC2)cc1Cl 275798556 CTWSSBGXPXBRAC-MRXNPFEDSA-N 290.794 3.607 30 20 CHED CC(C)CCC[C@H](C)NC(=O)C1(C#N)CCCCC1 44385265 ZEUUHVCPXOHOBR-AWEZNQCLSA-N 264.413 3.791 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)s1 276616211 JTTHGHRSNHLDCT-ZDUSSCGKSA-N 290.432 3.591 30 20 CHED C[C@H](c1ccccc1)N(C)Cc1ccccc1C#N 66696332 SSEWFJFPRPTRDL-CQSZACIVSA-N 250.345 3.751 30 20 CHED C[C@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)CC1 404251791 KUXANMYEBDKUSQ-SWLSCSKDSA-N 260.356 3.756 30 20 CHED C=CCN(Cc1ccccc1)Cc1csc(C)n1 76718967 RBLZVARBLWCQOQ-UHFFFAOYSA-N 258.390 3.640 30 20 CHED N#Cc1ccnc(NC(C2CCC2)C2CCC2)c1Cl 324722648 HAEJOPFITWBXOT-UHFFFAOYSA-N 275.783 3.987 30 20 CHED N#Cc1cccc(CCNCc2ccc(Cl)cc2)c1 466410564 SAZINWXOTWUKTN-UHFFFAOYSA-N 270.763 3.544 30 20 CHED CCNc1ccc(Cl)cc1/C(O)=N/C[C@@]1(C)CCOC1 331078587 WOYBXOKWBNKOIF-OAHLLOKOSA-N 296.798 3.503 30 20 CHED CCNc1ccc(Cl)cc1/C(O)=N/C[C@]1(C)CCOC1 331078586 WOYBXOKWBNKOIF-HNNXBMFYSA-N 296.798 3.503 30 20 CHED C=CCN(CC=C)Cc1cc(OC)ccc1Br 535783459 ZBSCZANDEXLTPC-UHFFFAOYSA-N 296.208 3.632 30 20 CHED C[C@H](Nc1ccc(Cl)cc1C#N)c1cncs1 340939438 ZNMIOWQQOLKASF-QMMMGPOBSA-N 263.753 3.841 30 20 CHED N#Cc1csc(CNC[C@H]2CCCCC2(F)F)c1 390890863 YIAVROQLYYHKJM-LLVKDONJSA-N 270.348 3.535 30 20 CHED C=CCN(Cc1ccc(C#N)cc1)Cc1ccccc1F 56312587 YZIKRXBYJVQWGW-UHFFFAOYSA-N 280.346 3.886 30 20 CHED C=CCn1c(SC2CCCC2)nnc1-c1cccnc1 59264220 MBXYYGSOKZZUIZ-UHFFFAOYSA-N 286.404 3.561 30 20 CHED CCCCOc1ccc(NC(=O)N(C)CCC#N)c(C)c1 176555734 IUSUIUDPIPIFAE-UHFFFAOYSA-N 289.379 3.551 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1c(C)oc2ccccc12 179407809 GHDVNBDZBLVATH-MDZDMXLPSA-N 294.354 3.988 30 20 CHED C=CC1CCN(C(=O)c2ccc(CSCC)cc2)CC1 110366542 SKLLMBLUGSDCJR-UHFFFAOYSA-N 289.444 3.978 30 20 CHED C=CCSCCC(=O)Nc1ccc(Cl)cc1 114757146 LMCZPXXCQJALNP-UHFFFAOYSA-N 255.770 3.588 30 20 CHED CC[C@H]1CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC1 473558582 AGASXDOGVBPPGU-SHTZXODSSA-N 278.440 3.991 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(C#N)cs1 177071834 RWPKGZBYGJLNET-WFASDCNBSA-N 296.395 3.638 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@@H](C)c2ccccc2)C1 116800452 CHNGLAXDGCCOJW-IIDMSEBBSA-N 284.403 3.769 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCCN(c2ccccc2)C1 301389538 FSMFJCXXKRFVOV-MRXNPFEDSA-N 295.361 3.778 30 20 CHED CC(C)[C@H](Nc1cccc(C#N)n1)c1ccc(F)cc1 409546941 YCMYPCGYPUDZBE-INIZCTEOSA-N 269.323 3.902 30 20 CHED Cc1oc2ccccc2c1CNC(=O)c1cccc(C#N)c1 184029065 JZLZWYZTALWWCE-UHFFFAOYSA-N 290.322 3.543 30 20 CHED Cc1ncc(CN(C)[C@@H](C)c2cccc(C#N)c2)s1 186291501 XCNIBKRQWHWCLH-NSHDSACASA-N 271.389 3.516 30 20 CHED C[C@@H]1CC[C@@H](Nc2nc(Cl)c(C#N)s2)[C@H](C)C1 300143313 WGVJZNGVMVEJBP-IWSPIJDZSA-N 269.801 3.905 30 20 CHED C=CCC[C@@H](NCCCSCC#N)c1ccccc1 180050725 YLYHGQNCKXDGRI-MRXNPFEDSA-N 274.433 3.930 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCO[C@@H](CC)C1 180443765 CDOXXNZBEOPIMP-SJORKVTESA-N 293.451 3.787 30 20 CHED Cn1c(SCCC(C)(C)C#N)nnc1-c1ccccc1 78931870 HZJKIBFCFJSEJW-UHFFFAOYSA-N 286.404 3.514 30 20 CHED CC(C)[C@@H]1CCCC[C@@H]1NCc1ccc(OCC#N)cc1 215038953 FFAWDIXRRCNLPF-ROUUACIJSA-N 286.419 3.893 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cccc(SCC)c1 410835515 NYISDTQXOILMFZ-ZDUSSCGKSA-N 276.405 3.563 30 20 CHED Cc1nc(Sc2ccc3c(c2)OCCCO3)ccc1C#N 313847351 GSZRMJSBVINEAQ-UHFFFAOYSA-N 298.367 3.574 30 20 CHED CC(C)[C@H](Cc1ccc(F)cc1)NCC(C)(C)CC#N 414165979 MSYCIANMXJKUPV-INIZCTEOSA-N 276.399 3.922 30 20 CHED N#Cc1csc(CN2CC[C@H](COc3ccccc3)C2)c1 507713766 LSBLKSAUDRNYGS-AWEZNQCLSA-N 298.411 3.521 30 20 CHED Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 316723535 UKJCGYFVOQJPBV-NEPJUHHUSA-N 299.374 3.606 30 20 CHED COc1ccc(C#N)cc1CSCC1CC(F)(F)C1 419512728 KNTPYIDIOHLHBB-UHFFFAOYSA-N 283.343 3.845 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 183813243 MNGPUZLLRMLFIZ-ZTFGCOKTSA-N 292.382 3.752 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCc1c(C)[nH]c2ccccc12 503954591 ZFMUHFFJPRDBQB-CQSZACIVSA-N 299.418 3.673 30 20 CHED C=CCCOc1ccc(NC(=O)OC(C)(C)C)cc1 215836691 JPPSCKDKZPDQGX-UHFFFAOYSA-N 263.337 3.989 30 20 CHED C=CCOc1cc(OC)ccc1-c1nc(CC(C)C)no1 504241605 PFQIAHKDXPOXLA-UHFFFAOYSA-N 288.347 3.509 30 20 CHED CC#CCCCC(=O)Nc1ccc(F)cc1OCC1CC1 185650308 BBXDQQWYTUYVHJ-UHFFFAOYSA-N 289.350 3.747 30 20 CHED N#Cc1ccc(SCC[C@H]2CCCO2)c(Cl)c1 189065610 FUSDBVJEYHOKRJ-LLVKDONJSA-N 267.781 3.873 30 20 CHED CC#CCCCC(=O)N1CCCCC[C@@H]1c1ccco1 185850492 SPKOTHHNLKBIGW-OAHLLOKOSA-N 273.376 3.917 30 20 CHED C[C@H]1C[C@@]1(NCCCCC#N)c1ccc(Cl)cc1 503438084 ROPGHPPGZSVTJJ-WFASDCNBSA-N 262.784 3.859 30 20 CHED C=C[C@H](CCC(=O)O)NCc1csc(Cl)c1Cl 417606369 DUBNSVPCQYHFGQ-MRVPVSSYSA-N 294.203 3.564 30 20 CHED N#CCSCCCN1CCC(C2CCCC2)CC1 610410175 YILPXCRYXPRXAY-UHFFFAOYSA-N 266.454 3.535 30 20 CHED N#Cc1ccc(OCCNc2ccc(Cl)cc2F)cc1 48429014 UFBDNYPOWGVANW-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1 612300591 TWQYRHVHIMTVGN-CQSZACIVSA-N 295.745 3.637 30 20 CHED N#Cc1ccccc1CN1CC[C@H](Cc2ccccc2)C1 507664814 HZWSVMWQHUNSEG-QGZVFWFLSA-N 276.383 3.623 30 20 CHED CCC(C)(C)c1ccc(Cn2c(C)nc(C#N)c2C#N)cc1 506368291 HWMPRUQKEDNAGN-UHFFFAOYSA-N 292.386 3.671 30 20 CHED C=CCN(CC[C@@H]1CCCN1C)Cc1ccc(Cl)s1 502727464 ZSWDAAALAGJSEP-ZDUSSCGKSA-N 298.883 3.874 30 20 CHED N=C(O)c1cccc(C/N=C(/O)[C@H]2CC23CCCC3)c1 329996694 PGXJXTCVDYDDQS-CYBMUJFWSA-N 272.348 3.607 30 20 CHED CCO[C@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 42425033 HGPQLUGAVDMVGX-ZDUSSCGKSA-N 298.308 3.582 30 20 CHED CCCCCN(C(=O)NCc1ccc(C#N)cc1)C(C)C 195268345 DBKRVMJWFHCESV-UHFFFAOYSA-N 287.407 3.668 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/C[C@H]2CCCC(F)(F)C2)C1 329168819 JFFYCGXMMBANMG-DCAQKATOSA-N 288.338 3.523 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(c2ccc(C#N)cn2)C1 425284152 PYPKXPQIPWHFQC-MRXNPFEDSA-N 277.371 3.931 30 20 CHED CCCCCCCCC(=O)NCCc1nccs1 139750913 WQOUMMLTQXUJKG-UHFFFAOYSA-N 268.426 3.552 30 20 CHED Cc1nc(Cl)ccc1NCc1cc(C#N)cs1 193343330 WIIAJKWHZURDPI-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CCN(CCC#N)C(=O)[C@H](C)c1ccc2ccccc2c1 84633710 PBLZCXHRUJTKFI-CQSZACIVSA-N 280.371 3.705 30 20 CHED Cc1nc(CCN(C)[C@H](C)c2cccc(C#N)c2)cs1 425542589 YJKOMYYWOIFTOZ-GFCCVEGCSA-N 285.416 3.559 30 20 CHED CC(C)(C#N)CNC(=O)N1CCC[C@@H]1CCC1CCCC1 512931287 HTIVJPMTBXKCCT-OAHLLOKOSA-N 291.439 3.681 30 20 CHED N#Cc1ccc(OCCSCCC(F)(F)F)cc1 265866141 LCYGRTSVJBOVBJ-UHFFFAOYSA-N 275.295 3.623 30 20 CHED CC(C)COc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 192728451 IMBMXCQKGUUJBM-RDJZCZTQSA-N 286.419 3.893 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nc2ccsc2s1 424684712 RTSMYDJEFJHWLN-UHFFFAOYSA-N 266.391 3.899 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C=C)c2ccccc2)CC1 134039688 YCQUPDNQBCNLCJ-MRXNPFEDSA-N 269.388 3.771 30 20 CHED C=CCOc1ccccc1C(=O)N(C)c1ccc(C)cc1 195393623 DKNUFERTOBBQFG-UHFFFAOYSA-N 281.355 3.836 30 20 CHED Cc1c(Cl)cccc1C(=O)N(CC#N)c1ccccc1 195390839 YRZTZJZLWMTGSE-UHFFFAOYSA-N 284.746 3.819 30 20 CHED Oc1cccc2c1CCC[C@H]2NCC#Cc1ccc(F)cc1 192354717 RZKCKOIMGVSUGU-GOSISDBHSA-N 295.357 3.550 30 20 CHED N#Cc1ccccc1CN1CC[C@@H](c2cccc(F)c2)C1 513454317 DYGRQEIXXRSBPC-QGZVFWFLSA-N 280.346 3.687 30 20 CHED N#C[C@@H]1CC[C@H](Nc2ncc(-c3ccccc3)s2)C1 425272388 KNLBXMGATDSEQU-YPMHNXCESA-N 269.373 3.914 30 20 CHED N#Cc1cnccc1NC(=O)c1ccc(C2=CCCC2)cc1 334908825 WCLZOGFHTUSSSJ-UHFFFAOYSA-N 289.338 3.773 30 20 CHED N#CCCC[S@@](=O)Cc1ccc(Cl)c(Cl)c1 190730904 OBTQIEUOINOCIS-MRXNPFEDSA-N 276.188 3.546 30 20 CHED C=CCN(CCC#N)Cc1coc(-c2ccc(C)cc2)n1 428861419 JXHBFOIGJOYHKL-UHFFFAOYSA-N 281.359 3.552 30 20 CHED C#CCCCC(=O)N1CCCCC[C@H]1c1ccco1 192334338 OHJHIXUZYFADDD-AWEZNQCLSA-N 259.349 3.527 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CCc2ccsc2C1 336167941 CZBGVIRSPKNUQI-UHFFFAOYSA-N 297.383 3.518 30 20 CHED C=CCCC(=O)Nc1cc2c(cc1Br)CCC2 195211613 UHDNURCROIBJGT-UHFFFAOYSA-N 294.192 3.843 30 20 CHED CC(=O)Nc1ccc(O[C@@H](C)c2cccc(C#N)c2)cc1 190088641 LLOMRVBBNMJWRS-LBPRGKRZSA-N 280.327 3.657 30 20 CHED C#CCCCC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 192096238 JWBWJXFXBGKMJZ-MRXNPFEDSA-N 297.402 3.570 30 20 CHED C#CCCCC(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 192318601 BSMYQIAGQKUZOW-UHFFFAOYSA-N 299.399 3.564 30 20 CHED N#CCN(C/C=C/c1ccc(F)cc1)C1CCCC1 93563319 MEIYTUSLEOWYHU-ONEGZZNKSA-N 258.340 3.607 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)Cc1cc(C#N)n(C)c1 191184082 IBHMVXGCOQBUEC-OAHLLOKOSA-N 281.403 3.697 30 20 CHED CCO[C@@H]1C[C@@H](/N=C(/O)C2CCC(=O)CC2)C1(CC)CC 330187743 UACDTXGCYICSHF-HUUCEWRRSA-N 295.423 3.686 30 20 CHED CC(C)c1ncsc1/C(O)=N/C[C@]1(C)CCCC[C@H]1O 331306539 FATKQDPETRMXFT-ABAIWWIYSA-N 296.436 3.512 30 20 CHED N#Cc1ccc(Cl)c(C(=O)Nc2cc(C3CC3)ccn2)c1 335706344 UAMJVDNBBBJCDY-UHFFFAOYSA-N 297.745 3.736 30 20 CHED C=CCN(C)Cc1ccc(Cl)c(C(F)(F)F)c1 428393364 XYNBKYLJLZGCMM-UHFFFAOYSA-N 263.690 3.977 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@@H]1CCC[C@H](C)C1 330484010 WEEXDWZZEXGCMB-SQWLQELKSA-N 264.413 3.647 30 20 CHED C[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 335583534 HSHFOYZFWRGTAX-WDEREUQCSA-N 291.782 3.668 30 20 CHED Cc1cccnc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 93177834 AUYSVRKIBPCZPJ-HKUYNNGSSA-N 291.398 3.662 30 20 CHED CS[C@H]1CC[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1 92917583 FXZRTHRSILWDFA-KGLIPLIRSA-N 283.400 3.802 30 20 CHED C=C(CNC(=O)N1CCC[C@@H]1CC(C)C)c1ccccc1 512680893 HFQSJPPVERLUOH-QGZVFWFLSA-N 286.419 3.920 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(C#N)s1 334851000 IJJIJZSIZIRYOX-NSHDSACASA-N 276.405 3.661 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](C)[C@H](C)C1 338847123 KCRWDRBPMRWPGJ-ZIAGYGMSSA-N 288.439 3.604 30 20 CHED COc1cc(C)c(N/C(O)=N/[C@@H]2CC[C@@H](C)C2)cc1F 331279911 BEIWHYODBUWUFD-MWLCHTKSSA-N 280.343 3.657 30 20 CHED CC(C)(C)C1=CCN(Cc2cccc(C#N)c2F)CC1 537031094 WMOQFSOPNDLANB-UHFFFAOYSA-N 272.367 3.876 30 20 CHED Cc1csc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1C#N 336479018 UFGPHRKVLSISMQ-LLVKDONJSA-N 295.367 3.542 30 20 CHED COc1ccc(OCCSc2cccc(C#N)c2)cc1 435034528 NRZWIKQKEICNCJ-UHFFFAOYSA-N 285.368 3.738 30 20 CHED CCCC[C@H](CCC)CNC(=O)NCC1(CC#N)CC1 430860159 IMYVPDHPDGQJKD-AWEZNQCLSA-N 279.428 3.586 30 20 CHED CCc1sc(C(=O)N[C@](C)(C#N)CC(C)C)cc1C 330769241 ZGZLQXNGLHLRQN-HNNXBMFYSA-N 278.421 3.677 30 20 CHED N#Cc1ccc(CN2CC[C@H]2c2ccccc2)s1 335698986 BKSIVQWARHMTDE-HNNXBMFYSA-N 254.358 3.567 30 20 CHED CCc1oc2ccccc2c1CC(=O)N[C@H](C#N)C(C)(C)C 528799296 PCKVJFSKTXFGPB-MRXNPFEDSA-N 298.386 3.592 30 20 CHED Cc1cc([C@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)c(C)o1 94591852 KQUCULNOJVEABD-JTQLQIEISA-N 285.303 3.849 30 20 CHED C[C@H](c1ccccc1)N1CC[C@@H](NCC(C)(C)CCC#N)C1 344217240 QSMPAZFLTRUMPO-SJLPKXTDSA-N 299.462 3.741 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc2c(F)cccc2c1 345498155 ZTFOUVGAHUQUFV-LBPRGKRZSA-N 286.350 3.849 30 20 CHED C[C@H]1CN(Cc2cc(C#N)cs2)[C@H]1c1ccccc1 245713144 GKGRSPJBXLNEKI-BLLLJJGKSA-N 268.385 3.813 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cnn(CC(C)C)c1C 343525183 WKMTYACTOWEWRY-ZDUSSCGKSA-N 292.427 3.714 30 20 CHED C[C@H](CCC#N)CN(C)[C@H]1CCCN(c2ccccc2)C1 602475322 SVAPXTVROJUDMI-AEFFLSMTSA-N 285.435 3.527 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 248531022 NSXNNMGQJMOCMN-XEZPLFJOSA-N 282.387 3.862 30 20 CHED C[C@H](CN(C)[C@H](C)c1ccc(C#N)cc1)c1nccs1 248456069 LIHPLJGRNCOLHF-CHWSQXEVSA-N 285.416 3.811 30 20 CHED CSc1ccccc1CC(=O)Nc1sccc1C#N 346234416 LJVLBTAZOFGORK-UHFFFAOYSA-N 288.397 3.523 30 20 CHED C[C@@H](C#N)C(=O)Nc1cc(F)ccc1Oc1ccccc1 345865949 CDLVOSMAIXCLOM-NSHDSACASA-N 284.290 3.716 30 20 CHED C=CC[C@@H](C)NC(=O)NCC(C)(C)c1cccc(C)c1 604897184 KGQLUVUDJGIKMM-CQSZACIVSA-N 274.408 3.536 30 20 CHED CC(C)N(Cc1ccc(F)cc1)C[C@H](C)CCC#N 602437927 AKCOLIDAVPEJCY-CQSZACIVSA-N 262.372 3.976 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)Cc1ccccc1F 432072442 RYRTUBUBXQLFCZ-CYBMUJFWSA-N 292.398 3.658 30 20 CHED C[C@@H]1CC[C@H](c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)O1 528229643 DLBKIVNDYQDIIH-BXUZGUMPSA-N 297.358 3.778 30 20 CHED COc1cc(OCC#Cc2ccc(Cl)cc2)ccc1C#N 435803576 HNNVXYGUFDKWJS-UHFFFAOYSA-N 297.741 3.651 30 20 CHED CC(C)c1cc(Sc2cccc(C#N)c2)ncn1 343912060 XJNJBKBLZIFHSP-UHFFFAOYSA-N 255.346 3.623 30 20 CHED Cc1ccccc1[C@H]1CCN(c2nccc(C)c2C#N)C1 343477601 OQRYUAJFTITGOK-HNNXBMFYSA-N 277.371 3.564 30 20 CHED N#Cc1ccc(N2CCCO[C@@H](c3ccccc3)C2)cc1 609232738 HSJGFTYMMOHXIO-GOSISDBHSA-N 278.355 3.526 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn(-c2ccccc2F)c1 342784487 RCJSDXJPRXCYOI-UHFFFAOYSA-N 287.338 3.552 30 20 CHED Cc1ccnc(N[C@@H]2CCc3c(C)cccc32)c1C#N 543137675 CZGFJIMLXDXTBW-MRXNPFEDSA-N 263.344 3.670 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(C)cc1OCCC 445855460 JBJRTPDOGUMZMA-AWEZNQCLSA-N 290.407 3.548 30 20 CHED CC[C@H](NCc1ccc(CC#N)cc1)c1nc(C)cs1 347617853 NAANCKSAPCUVAD-HNNXBMFYSA-N 285.416 3.759 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccsc1 255668522 HLTMOYTXIAQCCA-PLNGDYQASA-N 260.362 3.665 30 20 CHED C=C(C)CN(CC)C(=O)c1cc([C@@H](C)c2ccccc2)[nH]n1 527904447 XJEHAUIIPDXFMO-AWEZNQCLSA-N 297.402 3.600 30 20 CHED CC(C)N(CCC#N)C(=O)c1cnc(-c2ccccc2)s1 523280800 LWBGYKWYAXWKSP-UHFFFAOYSA-N 299.399 3.574 30 20 CHED C=CCC1(C(=O)N2CCS[C@H](C(C)C)C2)CCCC1 449985429 CHQGCUPSRXZPEB-AWEZNQCLSA-N 281.465 3.723 30 20 CHED O=C1/C(=C/c2cnc3ccccn23)CCc2cc(F)ccc21 255323567 BGZFQDAZTICVBH-JLHYYAGUSA-N 292.313 3.686 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCOc3ccc(F)cc32)CC1 355829442 NPJPEFIMFAMNES-AWEZNQCLSA-N 289.350 3.512 30 20 CHED Cc1ccc(CNc2cccnc2C#N)c(OC(C)C)c1 357545161 JSKBXYKGYHXNCS-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C=CCCC1(C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1 530299793 IBNSARQKWZSLRG-UHFFFAOYSA-N 283.375 3.567 30 20 CHED CC1(C)CCCN(CC#Cc2ccc(Cl)cc2)[C@H]1C#N 444719427 MWGZUQKTIYVBJH-INIZCTEOSA-N 286.806 3.706 30 20 CHED C[C@@H](NC(=O)N[C@H]1CCCC(C)(C)C1)c1ccc(C#N)cc1 443104356 RTMKYJIIBLOLAR-CJNGLKHVSA-N 299.418 3.887 30 20 CHED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)Oc1ccccc1 447541114 LDBMKNSVYRTLRN-GJZGRUSLSA-N 272.392 3.516 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc2ccncc12 530322661 XDBOHCHTUHTZTJ-MRXNPFEDSA-N 254.333 3.776 30 20 CHED C=CCOCCCc1nc([C@@H](C)c2ccccc2C)no1 357714672 WCGBXMLXNNBUHQ-AWEZNQCLSA-N 286.375 3.665 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ncccc2C#N)C1 266185388 AMKJPXWNVRYLEW-LRDDRELGSA-N 281.334 3.680 30 20 CHED C=CCN(C(=O)NCCc1c(C)cc(C)cc1C)C1CC1 536828444 UIPCDTQUTSUVHA-UHFFFAOYSA-N 286.419 3.514 30 20 CHED CC[C@@H](F)CSCCCC1(C#N)CCOCC1 442559366 SPEZTPHNMLWQAU-GFCCVEGCSA-N 259.390 3.568 30 20 CHED C[C@@H](NC(=O)N(C)Cc1cccs1)c1cccc(C#N)c1 610356443 SHJJXMFOPGSJHB-GFCCVEGCSA-N 299.399 3.522 30 20 CHED C=CCN(Cc1cc2cc(OC)ccc2o1)C1CC1 350316730 LJMZTMDWFVPRMP-UHFFFAOYSA-N 257.333 3.592 30 20 CHED C[C@H](c1c(F)cccc1F)N(C)CCC(C)(C)C#N 537363380 OVSYUMOHFYBIOW-LLVKDONJSA-N 266.335 3.897 30 20 CHED Cc1ccc2sc(C(=O)NCCCC#N)c(C)c2c1 362738132 SZJYPALCIRZOPQ-UHFFFAOYSA-N 272.373 3.552 30 20 CHED CC(C)(CCC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612252619 YVRGYIQSIVNECZ-IBGZPJMESA-N 298.430 3.897 30 20 CHED C=CCCOCCN[C@H]1CCc2c(Cl)cccc21 539051483 KCAZPVZIRBQGHO-HNNXBMFYSA-N 265.784 3.510 30 20 CHED Cc1ccc2c(c1)CN([C@H](C)c1cccc(C#N)c1)C2 361599773 DUBHAXPTHPNWDS-CQSZACIVSA-N 262.356 3.944 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc(O)cc1 614402747 CDNIEVWDPAVBMK-LJQANCHMSA-N 292.382 3.909 30 20 CHED C=C(CC)CNC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 459084524 UJZFHMWQPZFPCC-ZDUSSCGKSA-N 278.371 3.884 30 20 CHED C=C(C)[C@H](CC(=O)N(C)[C@@H]1CCc2ccccc21)OCC 270019624 IMLJUOSZQNTHGL-SJORKVTESA-N 287.403 3.504 30 20 CHED CC[C@H](C(=O)NCC(C)(C)CC#N)C1CCC(C)CC1 457988340 CDNGDGXSOIUVPB-NRXISQOPSA-N 278.440 3.895 30 20 CHED C[C@H](C#N)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 270978835 BCBQRCVYVXMRBS-MLGOLLRUSA-N 285.778 3.520 30 20 CHED CN(CCCCC(C)(C)C#N)Cc1cccc(N(C)C)c1 277735145 OLHWWOGSKFIDSH-UHFFFAOYSA-N 287.451 3.904 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H](C)c1ccc(C)cc1)OCC 270037292 NGZHCRUSNCKLGI-ZBFHGGJFSA-N 275.392 3.544 30 20 CHED Cc1cc(C)n(CCS[C@@H](C)c2ccc(C#N)cc2)n1 360458929 INOMXPUCYPAMNT-AWEZNQCLSA-N 285.416 3.866 30 20 CHED C=CCC1(C(=O)NCCc2cccc(C#N)c2)CCCCC1 451435478 VLXPQGNUPWCSOO-UHFFFAOYSA-N 296.414 3.744 30 20 CHED CC[C@@H]1CCC[C@@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 452525784 JJZCUHXWJVFXNI-HZPDHXFCSA-N 296.414 3.532 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 362679470 KGBHJVZWDSARHO-ZETCQYMHSA-N 299.252 3.543 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 455115370 IPNMDMAQYPAEGD-ZDUSSCGKSA-N 272.392 3.843 30 20 CHED N#CCCCC[S@](=O)Cc1cccc(Cl)c1Cl 278140159 YCDQYHLSOCHPPY-KRWDZBQOSA-N 290.215 3.936 30 20 CHED Cc1c(Cl)cnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)c1C#N 543205604 BHAHQXKZDPDECW-JVLSTEMRSA-N 289.810 3.930 30 20 CHED C=CCCCc1nc(-c2cc(OC)nc3ccccc23)no1 545742396 AXDDIZNHJCIUDD-UHFFFAOYSA-N 295.342 3.802 30 20 CHED C=CCC1(C(=O)NCc2cc(CC)ccn2)CCCCC1 451398374 DPMKCALVHAQPFT-UHFFFAOYSA-N 286.419 3.787 30 20 CHED C=CCCC[C@H](C)NC(=O)CNc1c(C)cccc1C 540535043 RRMZHUPBNJBFFS-HNNXBMFYSA-N 274.408 3.576 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)o1 547328438 MVGNAZWFRNOSMI-HZMBPMFUSA-N 297.314 3.795 30 20 CHED C[C@@H](NC(=O)NCCCC#N)c1cc2ccccc2s1 273162826 CTECZXKIHNDWDA-LLVKDONJSA-N 287.388 3.565 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1NC 451598747 FKEHDINCPIZEJE-SNVBAGLBSA-N 299.296 3.517 30 20 CHED C#CCCCCC(=O)N(C1CC1)[C@@H](C)c1ccccc1 271385299 SPLPKCOBPWXGEI-HNNXBMFYSA-N 269.388 3.932 30 20 CHED C=C(C)CN1CCC(O)(c2ccccc2C(F)(F)F)CC1 278950009 YSISGKARNCDZLR-UHFFFAOYSA-N 299.336 3.565 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](C)C[C@@H](C)CC)cc1 463905905 PIQOIOXKNAOTHH-KBPBESRZSA-N 275.392 3.806 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(F)cc1OC(C)C 272262609 ASWUFECIBVNZJM-GFCCVEGCSA-N 295.354 3.533 30 20 CHED C#CCCN1CCc2sccc2[C@H]1c1cccs1 371462781 JDESQXYTFPZNPT-HNNXBMFYSA-N 273.426 3.780 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](C)CC(C)(C)c1ccccc1 465290153 OMSRVWYISCWEAY-ZIAGYGMSSA-N 274.408 3.617 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](Cc1ccccc1)C(C)C 466543656 VGFUAYAQTJMZGG-DLBZAZTESA-N 273.420 3.972 30 20 CHED C=CC1CCN(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1 466084349 KKHDZOINQWAAMI-CVEARBPZSA-N 276.424 3.563 30 20 CHED CCN(Cc1ccc(CC#N)cc1)Cc1ccc(OC)cc1 544069906 WESCAFCEWCBXHV-UHFFFAOYSA-N 294.398 3.783 30 20 CHED Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1C 461743085 QLFXFVCMKKBIMV-CQSZACIVSA-N 278.355 3.917 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCc1ccccc1 280529067 BSEPJIRYSXELBK-JQHSSLGASA-N 273.420 3.579 30 20 CHED C[C@@H](C#N)CSc1ccccc1NCCOC1CCC1 288662803 GTJRRLIWHWKWLT-ZDUSSCGKSA-N 290.432 3.919 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)c1cccc(C#N)c1 461901891 JCBYTWCSTPLWIU-LXZKKBNFSA-N 284.403 3.747 30 20 CHED C=C(C)Cn1c(C)nnc1N(Cc1ccccc1)CC(C)C 460939897 TZLJTQUTNNXFJK-UHFFFAOYSA-N 298.434 3.825 30 20 CHED N#CCc1ccc(NC(=O)N2CCC3(CCC3)CC2)cc1 376788943 UGTYOZKCNAULIW-UHFFFAOYSA-N 283.375 3.551 30 20 CHED N#CCc1ccccc1NC(=O)c1cc2[nH]ccc2s1 557506063 MIHXIXBMZZWYCR-UHFFFAOYSA-N 281.340 3.548 30 20 CHED C=CCCC(C)(C)N[C@H](c1nc[nH]n1)C1CCCCC1 639335580 UQYARABDPOEDLG-AWEZNQCLSA-N 276.428 3.761 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(C2=CCCC2)cc1 464028780 PKNSDTPIDBEUOE-INIZCTEOSA-N 282.387 3.922 30 20 CHED Cc1cc(OC(C)C)ccc1NC(=O)CC(C)(C)C#N 554387913 VLFURXSNBJGPBO-UHFFFAOYSA-N 274.364 3.661 30 20 CHED Cc1cc(CNCC(C)(C)CCC#N)c(C)s1 557830468 FJOBSICEGKCTDY-UHFFFAOYSA-N 250.411 3.785 30 20 CHED C[C@H](CCOCc1ccccc1)N[C@@H]1CCC[C@@H](C#N)C1 286997047 JWMGSKLRXPVWEE-KBAYOESNSA-N 286.419 3.654 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[C@H]1C 460945528 AVHVRLNTUORIFG-UONOGXRCSA-N 290.455 3.678 30 20 CHED CCCc1cnc(NC(=O)[C@H](C)c2cccc(C#N)c2)s1 462608384 WOUJWYZUPCWSGK-LLVKDONJSA-N 299.399 3.709 30 20 CHED N#C[C@@H](NC(=O)Cc1coc2ccccc12)C1CCCCC1 556878958 AQOKNTLADSORTI-MRXNPFEDSA-N 296.370 3.564 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@H]1[C@@H]1C[C@H]2CC[C@H]1C2 639404194 KZUGHIZSJQOBOY-YOKBYHGQSA-N 282.387 3.503 30 20 CHED C=CCC[C@H](CC)Nc1ccc(F)c(NC(=O)NC)c1 287603305 SEEWKWAIIUGHAO-NSHDSACASA-N 279.359 3.734 30 20 CHED C=CCN(CCc1ccco1)C[C@@H](OC)c1ccccc1 555054571 LBXRLVVRDUNEGD-GOSISDBHSA-N 285.387 3.698 30 20 CHED CC[C@@H](CC#N)NC(=O)c1cc2cccc(C)c2s1 288627147 AFJASWRWVMDLKN-LBPRGKRZSA-N 272.373 3.632 30 20 CHED CCOC1CC2(CCN([C@H](C)c3ccc(C#N)cc3)C2)C1 285598096 WLSSCJHTDRUPKC-RWBZWWBESA-N 284.403 3.510 30 20 CHED C=CC[C@@H](CC)N[C@H](CC)c1ccc(C(=O)OC)cc1 556179253 OLNMAKGDNFVITL-HZPDHXFCSA-N 275.392 3.869 30 20 CHED C=CCC[C@@H](O)CN(C)[C@H](c1ccccc1)C(C)C 472733328 HQHKNQPSWMBZKI-SJORKVTESA-N 261.409 3.643 30 20 CHED C=CCOCCCC(=O)Nc1c(F)cccc1SCC 291694523 MYMOYNYYXNDSCE-UHFFFAOYSA-N 297.395 3.859 30 20 CHED CC[C@H](NC[C@@H](C)N1CCCC[C@H]1C)c1ccc(C#N)cc1 559983549 JOPODCJORVDSAT-MDZRGWNJSA-N 299.462 3.862 30 20 CHED Cn1cnc(/C=C2/CCc3c(sc4ccccc34)C2=O)c1 800794357 CYMLDVJJWAJYQK-FLIBITNWSA-N 294.379 3.847 30 20 CHED C=CCCCCCCNc1ccc(C(=O)NC2CC2)cn1 804850725 ABQWSYJRWDGOAX-UHFFFAOYSA-N 287.407 3.522 30 20 CHED C#Cc1ccc(CNc2cccc(NC(=O)C(C)C)c2)cc1 809596549 IYAMNAUJKJYDTL-UHFFFAOYSA-N 292.382 3.875 30 20 CHED Oc1ccc(Cl)cc1C=Nc1ccc(OC(F)F)nc1 801646806 WHOCWEGMAJZMKS-UHFFFAOYSA-N 298.676 3.793 30 20 CHED CC#CC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 801103243 AYMPBGSZLBWMCU-UHFFFAOYSA-N 265.312 3.749 30 20 CHED C[C@@H](C#N)OCCOc1ccc(OC2CCCCC2)cc1 802729465 MSKSNJQORVJTFZ-AWEZNQCLSA-N 289.375 3.706 30 20 CHED C#C[C@@H](NC(=O)c1oc2ccc(F)cc2c1C)C(C)(C)C 807884827 YUSSDJOJYNYHQD-CQSZACIVSA-N 287.334 3.658 30 20 CHED C=CC[C@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C 565906980 ZZFPPTRGDQKJEW-JTQLQIEISA-N 284.384 3.776 30 20 CHED C=C(Cl)CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 298456356 HTIXBDIQWKNUEB-STQMWFEESA-N 290.165 3.651 30 20 CHED CCCC[C@H](C)N(CCCC)C(=O)c1cc(C#N)c[nH]1 294158362 RWKWPZXTMGMNRE-ZDUSSCGKSA-N 275.396 3.707 30 20 CHED C#C[C@@H](NCc1occc1C)c1ccc(Cl)cc1F 809699750 SMQIMAWYLVHRSF-CQSZACIVSA-N 277.726 3.845 30 20 CHED CC#CC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)CC)CC2 805233764 KWRZTNDXQCFPHR-NSHDSACASA-N 290.432 3.646 30 20 CHED CC(C)[C@H]1CN(C(=O)C2(C#N)CCCC2)c2ccccc21 470428431 LGLPWBOKYSPJFL-OAHLLOKOSA-N 282.387 3.857 30 20 CHED C#Cc1ccc(CN2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)cc1 809664097 ANJTZTVZGIWBOT-GJZGRUSLSA-N 294.225 3.684 30 20 CHED N#CC1(CCO[C@H]2CCCc3c[nH]nc32)CCCCC1 569912585 MHJORRAOXGXOMC-AWEZNQCLSA-N 273.380 3.668 30 20 CHED C=C[C@@H]1CCCCN1c1cncc(-c2ccccc2)n1 486479889 PSGPTYMOLLPYAY-OAHLLOKOSA-N 265.360 3.689 30 20 CHED N#Cc1ccc(C(=O)NCc2cccc3ccccc23)s1 486804968 VDKIDUVSVWMETM-UHFFFAOYSA-N 292.363 3.703 30 20 CHED CC(=NOC/C=C\Cl)[C@H]1CCN(Cc2ccccc2)C1 811669642 RPIGFXGHOCUSRC-ZKUHRFBOSA-N 292.810 3.654 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)Oc1cccc(C)c1 488879109 JKSANNZRJJFYJR-WBVHZDCISA-N 287.403 3.720 30 20 CHED C#CCOc1ccccc1NC(=O)c1ccn(C(C)C)c1C 816184286 SDZUTHNRPIVXLO-UHFFFAOYSA-N 296.370 3.642 30 20 CHED C=CCCCCNC[C@@H](O)c1ccccc1C(F)(F)F 819238061 UTMLUFNEYJPVNF-CQSZACIVSA-N 287.325 3.685 30 20 CHED Clc1oc2ccccc2c1C=NNC[C@@H]1CCSC1 811657785 DHMPCLZALZHKOW-JTQLQIEISA-N 294.807 3.763 30 20 CHED Cc1cc(Cl)cc(C=NNc2ccc(Cl)nn2)c1 814698015 MUTSRVOYOJIEQU-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1CCCCC 487683964 FJXICCFJBASRJF-UONOGXRCSA-N 252.402 3.705 30 20 CHED CCCCC[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)C(C)C 819631923 GTEOGRKIFLRCAJ-RRFJBIMHSA-N 264.413 3.647 30 20 CHED N#CCCCC(=O)Oc1ccc(Oc2nccs2)cc1 813040179 ZAIFTGWSPRSMJA-UHFFFAOYSA-N 288.328 3.535 30 20 CHED COC(=O)c1cccc(NN=C2CCC[C@@H]2C(C)(C)C#N)c1 814900914 NYUBBERIRQLKNI-AWEZNQCLSA-N 299.374 3.591 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CCCCC 489287165 ISNDPDYNFNGIEH-HUUCEWRRSA-N 267.413 3.539 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](CC)Oc1ccccc1F 489768820 OBCPXNFCZSVUDZ-CQSZACIVSA-N 293.382 3.702 30 20 CHED CC(=NOC/C=C\Cl)c1ccc(F)cc1OC(F)F 811670921 IPVZJTDFWWHDME-LVJWHSPNSA-N 293.672 3.920 30 20 CHED CCOc1ccc(/C=C\c2ncccc2C#N)cc1OCC 486073846 DMVAFMLCCZUCJX-CLFYSBASSA-N 294.354 3.921 30 20 CHED CC(=NNc1ccccc1F)c1ccc(CN(C)C)cc1 814789566 JLYWKAAOWZKAAE-UHFFFAOYSA-N 285.366 3.723 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(C#N)cc1OC(F)F 489471255 GUUDDCMGWBJRBR-AWEZNQCLSA-N 292.329 3.700 30 20 CHED CC[C@@H](C)NN=C(C)c1nc(-c2ccccc2)cs1 814913123 HQGXQBPVLZLGGS-LLVKDONJSA-N 273.405 3.922 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCC(C)(C)CCOC 657974014 KTZVGPBFGUYVHF-LSDHHAIUSA-N 253.430 3.774 30 20 CHED COc1ccccc1CN(OC)[C@@H](C)c1cccc(C#N)c1 810108529 BUZDBVDGVPPSHX-AWEZNQCLSA-N 296.370 3.691 30 20 CHED Cc1cc(Cl)cnc1NC(=O)/C=C\c1ccccc1C#N 813320623 LSAISDYNOCPGIC-SREVYHEPSA-N 297.745 3.567 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@@H](C)CCCC)nc1 818924643 QAUAMUWNKPNOJL-HNNXBMFYSA-N 286.419 3.884 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 823213590 NCLKZAOOQYQYIV-UHFFFAOYSA-N 292.398 3.500 30 20 CHED C=CCc1cc(CNC2CC3(CCC3)C2)cc(OC)c1O 652041712 ODQHAWFSYSKGIF-UHFFFAOYSA-N 287.403 3.552 30 20 CHED CC[C@@H](CSc1ccccc1)Nc1cc(C#N)ccn1 573870227 ALXXIYDOWXBUFE-AWEZNQCLSA-N 283.400 3.936 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)CCCCCC#N 588621394 BSZWSBNYQDGFQS-HUUCEWRRSA-N 264.413 3.888 30 20 CHED Cc1cc(N2CC[C@@H](c3ccccc3C)C2)cc(C#N)n1 581505271 CHQMVEJGDQTIDI-OAHLLOKOSA-N 277.371 3.564 30 20 CHED Cc1ccc(C)c2sc(NC(=O)C#CC(C)C)nc12 826894377 NNRYJODNSVICBI-UHFFFAOYSA-N 272.373 3.511 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NNc1ccc(Cl)cn1 901264350 BGLLFXDBTKSXGP-UHFFFAOYSA-N 291.786 3.575 30 20 CHED CCSc1ccccc1CSCCO[C@H](C)C#N 902385499 GUVZDXMCMIZUMH-GFCCVEGCSA-N 281.446 3.960 30 20 CHED CC(C)(C#N)CCCNc1ccc(Cl)c(C(=O)O)c1 826070980 HFZDWZNUMOWUGP-UHFFFAOYSA-N 280.755 3.780 30 20 CHED Cc1cc(F)ccc1C(=O)/C=C\c1cccc(C#N)c1 731322241 RYJYEEMZBDIUOR-YVMONPNESA-N 265.287 3.902 30 20 CHED C=CCSCCN[C@@H](CC)c1cccc(C#N)c1 902854544 HBLUVXMYESQCMQ-HNNXBMFYSA-N 260.406 3.518 30 20 CHED CSc1ccc(CNCc2ccc(C#N)cc2F)s1 589312584 TYPOGLJNTUALEU-UHFFFAOYSA-N 292.404 3.771 30 20 CHED C=CC[C@@H]1CCCN([C@@H](C)c2nc(O)c3ccccc3n2)C1 661381221 XVOSUJNHBQCLLY-UONOGXRCSA-N 297.402 3.685 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](C)Cc2ccsc2)C1 660438823 GCBHFRVCTGUEDA-ZIAGYGMSSA-N 292.448 3.677 30 20 CHED CCOc1ccc(/C=N\[C@@H]2CCC[C@H](SC)C2)c(O)c1 735229446 ZOTLNLWXKHXOAU-OXOWVQSXSA-N 293.432 3.884 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc2c(cc1C)OCO2 666624682 OMNNVUJGXCSSSG-UHFFFAOYSA-N 290.363 3.590 30 20 CHED CCSc1cccc(/C=C/C(=O)c2cc(C)n(C)n2)c1 901555092 NICPWYUCEVUQIX-CMDGGOBGSA-N 286.400 3.737 30 20 CHED CC1(C)CC(=NNc2cncc(Cl)n2)c2ccoc2C1 731486838 XADXDNOPDHBLJS-UHFFFAOYSA-N 290.754 3.512 30 20 CHED CC[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(C)cs1 732898895 KOWWEIUIQFNAOX-LSDHHAIUSA-N 298.411 3.897 30 20 CHED C=CCC1(C(=O)OCc2nccs2)CCCCC1 838153654 IWCDHNLORSGGDU-UHFFFAOYSA-N 265.378 3.713 30 20 CHED Cc1cc(Cl)cc(C)c1C=NN[C@H](C)C(F)(F)F 835002595 UDTVOJLEJGFHJA-SECBINFHSA-N 278.705 3.831 30 20 CHED CCc1nocc1/C=C\C(=O)c1ccc(C)cc1C 834408384 JOBKNJIZFLUGCM-VURMDHGXSA-N 255.317 3.750 30 20 CHED C[C@@H](NN=Cc1ccccc1C(F)(F)F)C(F)(F)F 834997498 YZUDZJLFSKKLHP-SSDOTTSWSA-N 284.203 3.580 30 20 CHED Cc1ccc(Nc2snc(C)c2C#N)cc1OC(F)F 580536833 UTWPGAIBVNXBIG-UHFFFAOYSA-N 295.314 3.977 30 20 CHED CS[C@@H](C)CCOC(=O)C[C@@H](CC#N)c1ccccc1 835672633 VFKPGIQOHHJDHP-DZGCQCFKSA-N 291.416 3.759 30 20 CHED CC(C)Oc1cncc(-c2ccc(OCCC#N)cc2)c1 906195775 JTNZORMCRFQDMG-UHFFFAOYSA-N 282.343 3.828 30 20 CHED Cc1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)s1 730148634 IOGPEFQNWUQIFN-SNAWJCMRSA-N 278.354 3.712 30 20 CHED C=CC(C)(C)C(=O)OCc1ncc(C(C)(C)C)s1 835374728 IPPNQJYHEMEDEQ-UHFFFAOYSA-N 267.394 3.696 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C(C)C)[C@H]1C(C)C 836887976 HXFAKJXBVNGNGO-NVXWUHKLSA-N 263.425 3.709 30 20 CHED Clc1ccc(-c2noc(NN=C3CCCC3)n2)cc1 732925944 IGFPTHCLTVMILZ-UHFFFAOYSA-N 276.727 3.732 30 20 CHED C=C(CNC(=O)C[C@@H]1CCC[C@@H]1C)c1ccccc1 672481065 JLVILIMBKMKWPQ-BBRMVZONSA-N 257.377 3.642 30 20 CHED N#CCCN(Cc1cccnc1)CC1CCCCCC1 505853696 RRGMDQRFUZWDQG-UHFFFAOYSA-N 271.408 3.768 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1cccs1)C(C)(C)CO 912190148 DKGFZFJCWLUKFF-AWEZNQCLSA-N 295.448 3.526 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1nc(-c2ccccc2)no1 747750913 FZROGHFYHNNIBJ-ZDUSSCGKSA-N 284.363 3.961 30 20 CHED Cc1ccc2ncc(CN3CCC[C@](C)(C#N)C3)cc2c1 591026515 IUZHGOKYNKLWCP-GOSISDBHSA-N 279.387 3.669 30 20 CHED Cc1ccc(CC(=O)N(c2ccc(C#N)cc2)C2CCC2)o1 598881734 HDIBTWHGWOFEQM-UHFFFAOYSA-N 294.354 3.588 30 20 CHED C=C1CCN(C(=O)CCc2ccc(C)c(Cl)c2)CC1 594860057 MTWLMPBHXXMYIV-UHFFFAOYSA-N 277.795 3.760 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cc(C(=O)OC)c(C)o1 743451044 YKRHVJAIGFIXMB-GFCCVEGCSA-N 294.395 3.657 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccc(Cl)s1)C(C)C 749981514 POUAZCRFJFHIKQ-JTQLQIEISA-N 271.813 3.928 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 595438869 ITOQJZKTYWGUFH-DOTOQJQBSA-N 299.418 3.863 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1ccc(F)cc1C#N 849845775 FFRWCERIKAEVEC-OAHLLOKOSA-N 281.302 3.659 30 20 CHED C=CCOc1ccc(CNC(=O)c2c(C)oc(C)c2C)cc1 672057567 TUSRLCBESNXDRE-UHFFFAOYSA-N 299.370 3.700 30 20 CHED CC[C@H](C#N)NC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 597042745 GRIBZGAAGADLEL-HUUCEWRRSA-N 292.810 3.888 30 20 CHED C#CCN(CC(=C)Br)[C@@H]1CCc2ccccc21 747529476 SDPNMNUTZOVAIW-OAHLLOKOSA-N 290.204 3.518 30 20 CHED Cc1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 748677461 NRTPIGMRZHRJDP-CYBMUJFWSA-N 265.312 3.785 30 20 CHED C[C@H]1CN(CCCCC#N)CCc2ccc(Cl)cc21 593068223 ZLVLOKOEJQIHCL-ZDUSSCGKSA-N 276.811 3.995 30 20 CHED C[C@@H]1OCCC1=NNc1ccc(Cl)c(Cl)c1 747750461 AIEUKKIRTTZXBM-ZETCQYMHSA-N 259.136 3.570 30 20 CHED CC[C@H](C#N)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 593547219 OTDKBTZOKNPFJU-QZTJIDSGSA-N 298.430 3.940 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CCN2CCCC[C@H]12 915633832 HARDYQHQTFMPBB-DLBZAZTESA-N 294.483 3.870 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccc(C(=O)O)cc1 743450033 FAEDKXFKSWHBRB-CYBMUJFWSA-N 276.380 3.667 30 20 CHED C=CCNC(=S)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 746685760 TWJHXWAHAMAZBR-JKSUJKDBSA-N 288.460 3.705 30 20 CHED CCCCOc1cc(C=NNc2ccccn2)ccc1OC 916273970 WZQBHVYXHDZHMV-UHFFFAOYSA-N 299.374 3.715 30 20 CHED CCC1(CC)CCCN(C(=O)c2cc(C#N)cs2)C1 598215770 LGLVJUUKMQWCMO-UHFFFAOYSA-N 276.405 3.662 30 20 CHED CC1(C)CN(Cc2cc(C#N)ccc2F)[C@@H]1c1cccnc1 596594357 UAPNAZQRQJCQFF-QGZVFWFLSA-N 295.361 3.675 30 20 CHED CCN(C(=O)CCCc1ccc2c(c1)CCCC2)[C@H](C)C#N 598348058 CNCVJAMOYRWMBS-OAHLLOKOSA-N 298.430 3.649 30 20 CHED CC[C@H](C#N)C(=O)N1CCC(Cc2ccc(C)c(C)c2)CC1 593718225 BRUPFVJMAIAXEE-GOSISDBHSA-N 298.430 3.634 30 20 CHED Cc1ccc(NN=Cc2cc(C)c(O)c(C)c2)cc1 916250358 WXQIMYFLUYGBTL-UHFFFAOYSA-N 254.333 3.763 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cc1cccnc1 847744828 ZFGUNNROSVHMEJ-VNQPRFMTSA-N 273.376 3.548 30 20 CHED C=CCN(CC=C)C(=O)/C=C\c1cc(C)c(C)cc1C 915279322 XDFMPJAKLBKKKD-HJWRWDBZSA-N 269.388 3.826 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 590841281 UQIAWKKWXWYDDO-MLGOLLRUSA-N 299.418 3.669 30 20 CHED CC[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)C1CCC(C)CC1 597904485 HFOVMEGIDVWVBT-ODZFXCKXSA-N 290.451 3.991 30 20 CHED CC[C@H](C)C(C)=NNC(=S)Nc1ccccc1C 915920620 HLKNGNTYRKTGQD-JTQLQIEISA-N 263.410 3.703 30 20 CHED O=C(/C=C\c1cccnc1)c1ccc2cc(O)ccc2c1 748999506 ATILQWNBYJILBQ-BAQGIRSFSA-N 275.307 3.837 30 20 CHED C[C@@H](N[C@H](C)c1cccc2c1OCO2)c1cccc(C#N)c1 925184469 CWXYJIYYIGBMQJ-CHWSQXEVSA-N 294.354 3.699 30 20 CHED CC(C)(C#N)CCOC(=O)CCCc1ccc(F)cc1 847902429 UOOAPZFZFUCFNF-UHFFFAOYSA-N 277.339 3.631 30 20 CHED C=CCC[C@@H](NCc1cccc(Cl)c1Cl)C(=O)O 756387239 KGHKLYBQPWJORW-LLVKDONJSA-N 288.174 3.502 30 20 CHED C[C@@H](NN=Cc1c(F)cccc1F)c1ccccc1 920386127 RAXFBFZPWACJJG-LLVKDONJSA-N 260.287 3.650 30 20 CHED C=CCC[C@H](NC1CCN(OCC)CC1)c1ccccc1 925581399 YZOCFHTVELOXSN-SFHVURJKSA-N 288.435 3.699 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1ccccc1C#N)C2=O 755589394 RYMGPXSGBZFNRJ-CXUHLZMHSA-N 289.334 3.834 30 20 CHED CCO[C@H]1CC(=NNc2ccc(Cl)cn2)C12CCCC2 853437406 MZOSDOWWLFRNSG-ZDUSSCGKSA-N 293.798 3.872 30 20 CHED COc1cccc(/C=N/[C@H]2CCc3cc(C)ccc32)c1O 920178114 OHFFUVCNLZFCJG-ZVCOJXFSSA-N 281.355 3.816 30 20 CHED C=CCC1(NC[C@@H](O)c2ccccc2F)CCCCC1 859746880 YHUMYHVNQHHFMH-MRXNPFEDSA-N 277.383 3.728 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@H]3CCC[C@H]2C3)c1 929931799 GZXCJSRNLJEHAG-ZFWWWQNUSA-N 286.375 3.658 30 20 CHED C#CCCCC(=O)N1CCCC[C@@H]1c1ccccc1OC 758303926 ZWKKVIUOBCHVFB-MRXNPFEDSA-N 285.387 3.552 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 753242779 JZEWQMURCSMZEO-HUUCEWRRSA-N 290.794 3.598 30 20 CHED CCCCCCCCC(=O)NCc1c(C2CC2)cnn1C 855792748 RUGJYIHJBVHAKE-UHFFFAOYSA-N 291.439 3.664 30 20 CHED CCCCCCCCn1cc(C#N)c(=O)c2nc(C)ccc21 751811551 VEBAJAPWUHYOMH-UHFFFAOYSA-N 297.402 3.937 30 20 CHED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCC#N 921103958 RGAIUPCHNCNUGN-UHFFFAOYSA-N 298.776 3.514 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C1(c2ccccc2F)CC1 851210232 SOMXKRPAPWZVHJ-GFCCVEGCSA-N 289.350 3.729 30 20 CHED CC(C)CN(CCc1ccc(C#N)cc1)Cc1ccccn1 932448886 ZBNXFGPFMSRELI-UHFFFAOYSA-N 293.414 3.654 30 20 CHED N#Cc1nc(N2CCCC3(CCCC3)C2)sc1Cl 853513841 JDDMTBGYIQSQJR-UHFFFAOYSA-N 281.812 3.829 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(-c2ncc[nH]2)ccc1C 935759884 PPFIJCNULXZBSA-ZDUSSCGKSA-N 283.375 3.926 30 20 CHED CCCCCC(C)=NNCCc1ccccc1F 764724936 ZBWJDVCMDZEVFS-UHFFFAOYSA-N 250.361 3.914 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1ccnn1C 765994374 FDMICZBARWUTQE-UHFFFAOYSA-N 283.162 3.563 30 20 CHED CCCCCCCNC(=O)C1(C(F)(F)F)CCC1 862355669 MOJIPDJYBTZQMP-UHFFFAOYSA-N 265.319 3.806 30 20 CHED Cc1nc(C#N)c(NN=C2C[C@@H](c3ccccc3)C2(C)C)o1 768484588 VBDBDYMSJMLKEA-ZDUSSCGKSA-N 294.358 3.836 30 20 CHED C#CCOc1ccccc1OCc1ccc(OC)c(C)c1 864046811 XXJCDGODQVCYQR-UHFFFAOYSA-N 282.339 3.595 30 20 CHED C#CCCOc1ccc(CN(C)C[C@H](C)CC)cc1 768766918 LAZRYACNGTYSLF-OAHLLOKOSA-N 259.393 3.567 30 20 CHED FCC[C@@H]1CCCC1=NNCCCOCc1ccccc1 863177724 QJNPPLOYYCQJII-INIZCTEOSA-N 292.398 3.699 30 20 CHED CC(=O)c1cc(F)ccc1NCC(C)(C)CCC#N 865810731 QWCCARLLSZNDDW-UHFFFAOYSA-N 262.328 3.770 30 20 CHED N#CCCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 70940805 SYDXSSVTWNLORI-UHFFFAOYSA-N 286.162 3.809 30 20 CHED O=C1/C(=C/c2ccnn2CC2CC2)CCc2c(F)cccc21 865226822 HNKFAGGLDUODTM-JLHYYAGUSA-N 296.345 3.645 30 20 CHED C#CCOc1ccccc1-c1noc(-c2ccc(F)cc2)n1 761991401 KROFHVDVESBPOD-UHFFFAOYSA-N 294.285 3.555 30 20 CHED C#CCN(Cc1ccc(F)cc1)Cc1ccc(COC)cc1 769146405 VSGRQZGMKSZSBP-UHFFFAOYSA-N 297.373 3.608 30 20 CHED C=C(C)COc1cccc(NC(=O)N2CCC(=C)CC2)c1 930149706 XYBZPJBBTZNGFC-UHFFFAOYSA-N 286.375 3.825 30 20 CHED C1=CC[C@H](C=NNCc2cnc3ccccc3c2)CC1 764775437 LXVNRXFUADNVQV-AWEZNQCLSA-N 265.360 3.667 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc(C(F)F)cc1 764525830 IVWKVOVNUUNKRJ-NSHDSACASA-N 284.302 3.649 30 20 CHED C#CCN(CC)C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 764212225 VZYZKQZPSOWXIG-AWEZNQCLSA-N 297.320 3.681 30 20 CHED C=C(Br)COc1ccc(C(=O)CC)cc1F 768401702 PNLJTPLQNKEWPX-UHFFFAOYSA-N 287.128 3.706 30 20 CHED C#CCCN[C@H](CC(F)(F)F)c1ccccc1C 769988827 FUBPTFMMOQYUTP-CYBMUJFWSA-N 255.283 3.601 30 20 CHED CC1(C)CCCN(Cn2ccc(-c3ccccc3)n2)[C@H]1C#N 766115970 XSXQGTBRAJTFKU-KRWDZBQOSA-N 294.402 3.522 30 20 CHED C=CCN(CC1CCCCC1)C(=S)NCC1CCC1 1116050136 GBEVKCFUVVLGFC-UHFFFAOYSA-N 280.481 3.729 30 20 CHED CCn1nccc1/C=C1/C(=O)c2ccccc2[C@H]1C(C)C 766507673 WHKSSNBZMJBWSR-ABPVARSCSA-N 280.371 3.923 30 20 CHED CC#CCCCc1nnc(COc2ccc(C)c(C)c2)o1 1118423171 GMRMLVLCQBQKEE-UHFFFAOYSA-N 284.359 3.611 30 20 CHED C=CCC(CC=C)C(=O)Oc1ccc(F)c(C(C)=O)c1 873639493 UCOUTHRPRGQRRO-UHFFFAOYSA-N 276.307 3.702 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2ccn(C)c2c1 870471775 YPPKTEKLFAZSJA-LBPRGKRZSA-N 284.359 3.663 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1sc(C)c(C)c1C#N 779719836 XMZKRNRWZOMFDV-HJWRWDBZSA-N 262.378 3.922 30 20 CHED C=C(C)CCOc1cc(C=O)c(Br)cc1OC 775104160 ZVJNRDNXBIHFMC-UHFFFAOYSA-N 299.164 3.615 30 20 CHED N#Cc1cccc(-c2nnc(-c3cncc4ccccc34)o2)c1 1117231485 IABQWISINLEMNF-UHFFFAOYSA-N 298.305 3.823 30 20 CHED C=C[C@](C)(CC)c1nnc([C@H](C)CN2CCC(C)CC2)o1 1118426464 RNDAAPHHIQIMLQ-RHSMWYFYSA-N 291.439 3.759 30 20 CHED Cc1ccc(/C=C2/Oc3cc(F)ccc3C2=O)cc1[N+](=O)[O-] 773174802 XZOCIYVOJMBYRP-VIZOYTHASA-N 299.257 3.659 30 20 CHED COc1cc(/C=C2\COc3c(F)cccc3C2=O)ccc1C 773138957 IIFLHGLGGZEVNW-MDWZMJQESA-N 298.313 3.801 30 20 CHED C=CCC[C@@H](NC(=O)/C=C/SC)c1ccccc1 772168744 FKBHBSPDYKNTCP-GCZGRYASSA-N 261.390 3.687 30 20 CHED CC(=O)N(c1ccc(NC[C@H](C)CCC#N)cc1)[C@@H]1C[C@H]1C 877555720 ZMSFKBNHPKDSHH-HBUWYVDXSA-N 299.418 3.800 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 779928432 FMQOPJPIVZGWRM-CVEARBPZSA-N 271.404 3.879 30 20 CHED C#CCCCCCC(=O)N(CCCCC)C(C)C 779831308 CKIUNVLBIRXRGF-UHFFFAOYSA-N 251.414 3.997 30 20 CHED N#Cc1c(F)cccc1C(=O)OCc1ccc(Cl)cc1 777409686 ZTSWGUVSYSBBJH-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#N)cc1F)C2 772806090 KDCVQNNPVDDLQU-OQLLNIDSSA-N 277.298 3.828 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1ccc(F)cc1F 776202591 MDSKUJYPIXBRBY-SNVBAGLBSA-N 284.375 3.996 30 20 CHED Cc1ccccc1C=NOCc1ccc2c(c1)COC2 778019889 PCCCMDLCTOOAFI-UHFFFAOYSA-N 267.328 3.576 30 20 CHED Cc1cccc(OC(=O)c2ccc(C#N)c(Cl)c2)c1F 777776766 LZVYPXQXQRFMBQ-UHFFFAOYSA-N 289.693 3.878 30 20 CHED C(=NN=c1cc[nH]cc1)C(c1ccccc1)c1ccccc1 779811297 OXDUTDYHDWFIDU-UHFFFAOYSA-N 287.366 3.733 30 20 CHED C=CCC1(O)CCN([C@H](C)c2ccc3c(c2)CCC3)CC1 886778531 FYUOECWTMAHOGC-OAHLLOKOSA-N 285.431 3.639 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C)c2nccn2c1 1123422145 XWAWGRVDVCSUHU-OAHLLOKOSA-N 298.390 3.605 30 20 CHED C(=NNc1ccc2[nH]ncc2c1)c1ccnc2ccccc12 779815959 IBBXGOJYGLGUHF-UHFFFAOYSA-N 287.326 3.557 30 20 CHED C#CCCCN[C@H](C)C1(c2ccccc2)CCCC1 775847006 XOIWBGJHHXDDPK-MRXNPFEDSA-N 255.405 3.890 30 20 CHED COCCC1(C=NNc2cc(C)ccn2)CCCCC1 780231312 ZWDPEWFGABAPKO-UHFFFAOYSA-N 275.396 3.775 30 20 CHED C=CCCCCCOC(=O)c1cc(O)nc(C2CC2)c1 784786620 SRYHZCLEJOEZMV-UHFFFAOYSA-N 275.348 3.568 30 20 CHED CC(=NNCCc1ccccn1)c1ccc2ccccc2c1 789103357 SYXQGDKWABOEMJ-UHFFFAOYSA-N 289.382 3.791 30 20 CHED COc1cc(N=Cc2cccc(O)c2O)ccc1Cl 788318228 PSMREEJCXOJHFC-UHFFFAOYSA-N 277.707 3.510 30 20 CHED N#Cc1cccc(OCCCn2cnc(Cl)c2Cl)c1 784986570 MYCBFQXRIMISGZ-UHFFFAOYSA-N 296.157 3.531 30 20 CHED C=CC[C@@H](NC(=O)N1CCC(C2CC2)CC1)c1ccncc1 893044322 GHKGRQGRXRJSCX-QGZVFWFLSA-N 299.418 3.530 30 20 CHED C#Cc1cncc(-c2noc([C@H](C)OCCCCCC)n2)c1 896556068 MZWKMPMUUYXHDZ-ZDUSSCGKSA-N 299.374 3.771 30 20 CHED CC1(C)C[C@H](NN=C2CCC[C@H](C(F)(F)F)C2)CCO1 783524821 SMLIVPVXUKOUOT-CMPLNLGQSA-N 292.345 3.642 30 20 CHED CCCCC(=NOC[C@@H]1CCOC1)c1ccccc1 788035334 ZLRWZAYHZBQNPM-CQSZACIVSA-N 261.365 3.634 30 20 CHED CC(C)CC[S@@](=O)CCCCC1(C#N)CCC1 899279338 OCNKHUCOXCTGKA-KRWDZBQOSA-N 255.427 3.645 30 20 CHED C=CCc1ccc(OC(=O)[C@H]2CCCCS2)c(OC)c1 783347097 GTADXGDNFKAXAW-OAHLLOKOSA-N 292.400 3.615 30 20 CHED CC(C)(C)[C@@H]1CCN1C(=O)c1cccc(SCC#N)c1 1135024954 TZNQJEWWMDYIPN-AWEZNQCLSA-N 288.416 3.563 30 20 CHED C#CCC1(OC(=O)c2csc(-c3ccccc3)n2)CCC1 788074804 UPDGQCHPBZKADH-UHFFFAOYSA-N 297.379 3.913 30 20 CHED C=CCCC(=O)NCc1cccc(-c2csc(C)n2)c1 899002364 SGKWOQVMNRPBCP-UHFFFAOYSA-N 286.400 3.701 30 20 CHED C[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1cccc(C#N)c1 785530114 NBXJHVYPVWHXQN-IGNZVWTISA-N 280.346 3.904 30 20 CHED C=CCCCOC(=O)c1c(F)cccc1SC 798751150 OAUPQRQNBJTIRV-UHFFFAOYSA-N 254.326 3.671 30 20 CHED COc1cc(C)c([C@@H](C)OC(=O)c2ccc(C#N)o2)cc1C 797100724 WYQJRNYPIYMMFA-GFCCVEGCSA-N 299.326 3.695 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1cc(C)c(C)o1 799884448 NLUSGWSFONBTOZ-UHFFFAOYSA-N 268.320 3.609 30 20 CHED N#Cc1ccc(OC(=O)c2ccc(C(F)(F)F)s2)cc1 796760308 BRCCNHXXUYUAEG-UHFFFAOYSA-N 297.257 3.858 30 20 CHED C#CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC 799235230 VSIUKOURCKRSFU-UHFFFAOYSA-N 299.443 3.988 30 20 CHED CC(C)O[C@@H](C=NNc1ncccc1F)c1ccccc1 793052844 DUPQRYMVWIWODZ-HNNXBMFYSA-N 287.338 3.785 30 20 CHED O=C1/C(=C\c2c(F)ccc(O)c2F)Cc2ccc(F)cc21 794941528 QKWHLDNEKNZIJV-TWGQIWQCSA-N 290.240 3.632 30 20 CHED CCC(=NNc1cccc(Cl)n1)c1ccc(O)c(F)c1 793163302 ILERXFGMEFEYBW-UHFFFAOYSA-N 293.729 3.806 30 20 CHED CCOc1ccc(O)c(/C=N\CCCc2cccc(C)n2)c1 794680506 OJDXHAQBBPZCNS-UYRXBGFRSA-N 298.386 3.546 30 20 CHED CCCCCCCCCN1CCC(Cn2ccnn2)CC1 792262305 ZXCYAONLZJSOQO-UHFFFAOYSA-N 292.471 3.741 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1csc(O)n1 792073839 DYNMXCAAMAMXFU-NSHDSACASA-N 284.425 3.575 30 20 CHED N#Cc1cccc(COC(=O)CCc2ccc(Cl)cc2)c1 792750800 QVRRQSLXRBUKJY-UHFFFAOYSA-N 299.757 3.888 30 20 CHED C[C@@H]1CCC[C@@H](CNc2c(C#N)cccc2C#N)[C@@H]1C 1163184810 JITCDQAVWBWHOE-IOASZLSFSA-N 267.376 3.914 30 20 CHED N#Cc1ccc(NCC2(c3cccc(Cl)c3)CCC2)nn1 1163938780 NHRWOMDKXUJMEL-UHFFFAOYSA-N 298.777 3.535 30 20 CHED CCc1ccc(C(=O)OCCCCC#N)cc1CC 1319796240 APSJEFZSLHZHJT-UHFFFAOYSA-N 259.349 3.662 30 20 CHED C=CCN(C(=O)Nc1ccc(COCC)cc1)C(C)C 1318824067 SVTHOFMJTDOMJI-UHFFFAOYSA-N 276.380 3.651 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCc2ccccc2CC1 1232607032 FHTQCDQCHBGXBC-UHFFFAOYSA-N 296.801 3.812 30 20 CHED CCOC(=O)CCN(CCC1(C#N)CCCCC1)C(C)C 1171621329 YSNHFUUDFOYFKQ-UHFFFAOYSA-N 294.439 3.514 30 20 CHED C#Cc1cccc(NC(=O)c2csc(C(C)C)n2)c1 171426924 JOCSXGRKZRPQOS-UHFFFAOYSA-N 270.357 3.500 30 20 CHED C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1csc(C#N)c1 1324717346 WHIKPGMDJFISBT-MEDUHNTESA-N 296.395 3.673 30 20 CHED CCCCCCC[C@@H](C)NCc1cccc(C(N)=O)c1 59416063 RFMLMBBQDFELKW-CQSZACIVSA-N 276.424 3.624 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc(-c2cccs2)s1 1320819141 OPHZOHJDMYWEBK-SECBINFHSA-N 277.370 3.936 30 20 CHED CSc1ccc(C(C)=NNc2ccn(C)n2)c(Cl)c1 1321018083 UWEFSIUWFWWGEA-UHFFFAOYSA-N 294.811 3.632 30 20 CHED C[C@H](C(=O)OCCCC(C)(C)C#N)c1ccc(F)c(F)c1 1321189407 IPGABVABNRLAFU-NSHDSACASA-N 295.329 3.941 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2cccc(C#N)c2C)s1 1321224119 URXBIOVQFPUHPK-GFCCVEGCSA-N 284.384 3.728 30 20 CHED CC1(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 1321994479 HITJNQFXNSTPSG-UHFFFAOYSA-N 291.354 3.584 30 20 CHED CC[C@H](C)c1nnc(CSCc2ccc(C#N)cc2)o1 1257868511 OSKPJVJAPZACFJ-NSHDSACASA-N 287.388 3.888 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(Br)c(O)c1 1333795596 CHKWKZIIGZTFAR-VIFPVBQESA-N 298.180 3.696 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)CCCC)c1 799930975 BIGSKCVBPOOWIU-AWEZNQCLSA-N 257.377 3.847 30 20 CHED N#Cc1cc(Cl)nc(N[C@H]2CCOC3(CCCC3)C2)c1 1336548307 JOKDCMBVTJYZGX-LBPRGKRZSA-N 291.782 3.510 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1ccn(C)n1 1255671405 YMWBNUSBVZIIHR-UHFFFAOYSA-N 270.380 3.576 30 20 CHED CC(CCc1ccc(F)cc1F)=NNCC(C)C 1257404638 DDZXITCGUJCQGQ-UHFFFAOYSA-N 254.324 3.519 30 20 CHED C=CC[C@@H](c1ccccc1)c1nnc(N2CCC[C@@H]2C)n1C 1262911472 AFOXDPXQOQLORU-HOCLYGCPSA-N 296.418 3.512 30 20 CHED Cc1nc(C(=O)OCCC2CCCCCC2)ccc1C#N 1261552983 KYVOAKUBLHEWDL-UHFFFAOYSA-N 286.375 3.779 30 20 CHED CC[C@H](F)C(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1344256453 DVKBZGVFIBNKOX-SCVCMEIPSA-N 269.341 3.630 30 20 CHED Cc1cc(C)c(CC(=O)O[C@@H](CC#N)c2ccco2)c(C)c1 1344934816 BFNINANFWYCLIC-KRWDZBQOSA-N 297.354 3.946 30 20 CHED CCC/C=C/C(=O)[C@H](C#N)c1nc2cccc(Cl)c2[nH]1 1263620311 RAKPAQJVHDPCJD-GOJXHPMJSA-N 287.750 3.749 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(F)c2occc12 1354178224 FFWKRQWVKIPVEK-UHFFFAOYSA-N 286.287 3.757 30 20 CHED CC(C)C1CCC(NC(=O)c2cc(C#N)ccc2F)CC1 1435488653 OUPDQOYWDMEVIN-UHFFFAOYSA-N 288.366 3.642 30 20 CHED C[C@H]1CC[C@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 1435508768 ALBYRYXTHGGRHA-ZOWXZIJZSA-N 257.333 3.599 30 20 CHED N#Cc1nc(NCc2cc3ccccc3[nH]2)sc1Cl 1458367437 BFGIYWDHTAMKPI-UHFFFAOYSA-N 288.763 3.762 30 20 CHED C[C@@H](CC(=O)Nc1ccc(Cl)cc1C#N)c1ccncc1 1528632684 WWIAIIOOHDJNIJ-NSHDSACASA-N 299.761 3.739 30 20 CHED C=C(CC(C)C)C(=O)N1CCC[C@H]1c1ccc(OC)cc1 1520753529 OTWKISPQMHNPHS-KRWDZBQOSA-N 287.403 3.961 30 20 CHED Cc1cccc(C)c1CN(C)Cc1ccc(C#N)cc1F 1462617095 LFLXMLJUAAELEJ-UHFFFAOYSA-N 282.362 3.946 30 20 CHED C=C(Cl)Cn1c(CC2CC2)nnc1N(CC)CCCC 1539812531 QATKUAOQFUVWDI-UHFFFAOYSA-N 296.846 3.610 30 20 CHED CC[C@H](CN(CC)c1cc(C#N)nc(C)n1)c1ccccc1 1612279565 VWDORTJSLSDYLD-OAHLLOKOSA-N 294.402 3.677 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(C(=O)O)cs2)c(C)c1 1610498469 IQZXWRWWECQBDX-WAYWQWQTSA-N 286.352 3.959 30 20 CHED Cc1ccc2[nH]cc(CCNc3cc(C)c(C#N)cn3)c2c1 1559301398 WSRGAWQONSFXNH-UHFFFAOYSA-N 290.370 3.706 30 20 CHED C=C(Br)CN1CCCc2c(C)ccc(OC)c21 1559629636 QJLCRNKIGAKTFR-UHFFFAOYSA-N 296.208 3.665 30 20 CHED N#Cc1nc(N[C@@H]2C[C@H]2c2cccc(F)c2)sc1Cl 1639862160 AUDJYZAOZKBUSS-VHSXEESVSA-N 293.754 3.775 30 20 CHED CO[C@@H](CSc1cccc(C#N)c1)Cc1ccccc1 1640957253 LBSSDWZSSCIMLQ-MRXNPFEDSA-N 283.396 3.908 30 20 CHED N#Cc1cccc2c1CCN2CCCc1cccc(F)c1 1646300391 WKRJMRDKENTWDK-UHFFFAOYSA-N 280.346 3.693 30 20 CHED CCC[C@@H](CNc1n[nH]c(C)c1C#N)c1ccccc1 1656387273 QTQYANZAQYRMMX-AWEZNQCLSA-N 268.364 3.586 30 20 CHED CCCCCCCC[C@H](C)CC(=O)N1CC[C@H](C(=O)O)C1 1589644826 AYPXBDZGAJLKIY-GJZGRUSLSA-N 297.439 3.696 30 20 CHED N#Cc1cc(N2CC3(CCC3)c3ccccc32)ccn1 1650963222 YDCPEOUEGZVCJU-UHFFFAOYSA-N 261.328 3.527 30 20 CHED N#Cc1ccccc1OCCN1CCCC12CCCCC2 1657835054 WWGPCENZPFSVFP-UHFFFAOYSA-N 284.403 3.736 30 20 CHED CCO[C@@H]1CCC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 1662681476 OCCBKDCXBBODHP-SCTDSRPQSA-N 298.430 3.873 30 20 CHED Cc1ccc(F)cc1COc1ccc(C#N)cc1F 218819446 LCTXMDRBPXAOEK-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1sccc1C#N 1673279324 SGRNGOYLQCCBDA-PWSUYJOCSA-N 277.393 3.710 30 20 CHED C=CC1CCN(c2c(C(=O)O)cnc3ccc(C)cc23)CC1 1776150175 ORJBFHQCFKDRTP-UHFFFAOYSA-N 296.370 3.644 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccccc2F)cc1C(=O)O 1776131173 KBKXMMFRMSPGGD-HJWRWDBZSA-N 284.286 3.728 30 20 CHED C=C(Br)CSc1nc2ccc(C)cc2[nH]1 5818406 ZTKHOZVYEIIPMH-UHFFFAOYSA-N 283.194 3.872 30 20 CHED CC(C)c1cc(C(=O)O[C@@H](C)CC#N)c2ccccc2n1 162295878 YYQBSCHFUFZYHH-LBPRGKRZSA-N 282.343 3.817 30 20 CHED C#CCCCN[C@H](C)c1cccc(Br)c1 160801273 RZZISEAVBGEZIV-LLVKDONJSA-N 266.182 3.513 30 20 CHED N#Cc1c(Br)cccc1NCc1ccccc1 168448175 IWOVVCODQNNHMI-UHFFFAOYSA-N 287.160 3.933 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccnc(Cl)c1 151371424 VPZLYFVFROJSRW-UHFFFAOYSA-N 265.740 3.547 30 20 CHED C[C@H]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)c2ccccc21 153157918 NRNUQHBPAXLJHY-SUMWQHHRSA-N 297.402 3.570 30 20 CHED CCO[C@@H](C)c1nccn1CC#Cc1cccc(Cl)c1 155625476 DAFUXRPXQUPIJD-ZDUSSCGKSA-N 288.778 3.686 30 20 CHED CC#CCCSc1nnc(-c2cc3ccccc3o2)o1 155306228 YKTJRPSSMUWPNQ-UHFFFAOYSA-N 284.340 3.988 30 20 CHED C#CCCCCNC(=O)C1(c2ccc(F)cc2)CCCC1 155846675 UIWKZOPLXBGQDY-UHFFFAOYSA-N 287.378 3.557 30 20 CHED COc1ccc(Cl)cc1NCc1ccc(C#N)s1 157465143 NFYRFSSXLGJCET-UHFFFAOYSA-N 278.764 3.894 30 20 CHED CC[C@@H]1CCN(c2ccc(C#N)c(Br)c2)[C@@H]1C 1655393396 YYJIQLUWBFWRPX-GHMZBOCLSA-N 293.208 3.946 30 20 CHED C=CC[C@H](C)NCc1cccc(F)c1Br 122263746 RLESQRHSZUVWTC-VIFPVBQESA-N 272.161 3.642 30 20 CHED CCCCc1ccc(Nc2nc(C)cc(C#N)n2)cc1 231896907 NRZXAEFJXGFWFT-UHFFFAOYSA-N 266.348 3.743 30 20 CHED CCc1nnc(Nc2cccc(Cl)c2)c(C#N)c1CC 124883577 CGHRPFTVZYZTFG-UHFFFAOYSA-N 286.766 3.870 30 20 CHED C[C@H](SC1CCCC1)C(=O)Nc1ccccc1C#N 7655811 UVIGCNARXYNGDJ-NSHDSACASA-N 274.389 3.561 30 20 CHED N#Cc1cccc(CNCc2ccc(C(F)F)cc2)c1 131360299 FJMUKYDGDZRTKB-UHFFFAOYSA-N 272.298 3.786 30 20 CHED C=C(C)COCCNCc1cc(F)cc(C(F)(F)F)c1 158118127 VUDMEPUBODYFCC-UHFFFAOYSA-N 291.288 3.527 30 20 CHED Cc1cc(OCc2ccc(C#N)cc2C)c(C(=O)O)s1 165107372 AGMXFWFHEBWBHJ-UHFFFAOYSA-N 287.340 3.514 30 20 CHED C[C@@](O)(CNc1ccc(C#N)c(Cl)c1)c1ccccc1 52097625 IVEKLVCLXPYLBH-MRXNPFEDSA-N 286.762 3.531 30 20 CHED CN(CCSCC(C)(C)CC#N)Cc1ccccc1 568271982 MOWLDUULPHIJRD-UHFFFAOYSA-N 276.449 3.791 30 20 CHED CC(C)(C)c1ncc(CNCc2ccc(C#N)cc2)s1 59181006 ZSLILORXONLEOV-UHFFFAOYSA-N 285.416 3.602 30 20 CHED CC[C@H](CC#N)NC(=O)CCSc1ccccc1Cl 183923698 RYYVRPJBVQQUSU-LLVKDONJSA-N 296.823 3.631 30 20 CHED CCCCCCCCN1CCC2(CC1)C[C@H]2C(=O)O 405412601 NBEIJNRFWVXYNN-AWEZNQCLSA-N 267.413 3.534 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)C1CCCCC1 467442402 MDASUKWYNZSYSD-AWEZNQCLSA-N 256.393 3.659 30 20 CHED Cc1ccsc1CN(C)c1nccc(C#N)c1Cl 338643251 NDMYDONHENGZOJ-UHFFFAOYSA-N 277.780 3.613 30 20 CHED COCC#CCN(Cc1ccccc1)[C@H](C)c1cccs1 677818400 LSXAVNNCJNGQRS-MRXNPFEDSA-N 299.439 3.961 30 20 CHED C=CCCSCCNc1nc(C)c(C#N)cc1Cl 596413544 OWRPWGNOQFOBEZ-UHFFFAOYSA-N 281.812 3.636 30 20 CHED C=CCC1(O)CCN(C(=O)CCCCCCCC)CC1 717853491 VBSKVOFFLWBZCM-UHFFFAOYSA-N 281.440 3.667 30 20 CHED CC[C@@H](CC(C)C)C(=O)N1CCC(CCC#N)CC1 399449840 LCHQGTZCKJOMQD-HNNXBMFYSA-N 264.413 3.601 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)COC2 179823755 RUPNKTQALMVPLG-LBPRGKRZSA-N 274.364 3.583 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(Cl)c(Cl)c1 57594432 DHRMYVWPRLPEPA-SNVBAGLBSA-N 285.174 3.661 30 20 CHED COc1ccc(/C=C/C(=O)c2cnccn2)c2ccccc12 115962952 KOPNWRSLTLYMCY-SOFGYWHQSA-N 290.322 3.535 30 20 CHED CCN(C)c1ccc(C(=O)/C=C/c2cccc(O)c2)cc1 176846893 DGGHFFWIEWBBGD-KPKJPENVSA-N 281.355 3.744 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(Cl)cc1Cl 58575360 NLLMYEMZWYDNJK-SECBINFHSA-N 257.164 3.727 30 20 CHED CC(C)Oc1ccc([C@@H](C)NC[C@@H](C#N)CCC#N)cc1 171977920 WVRUYGWXZGFFTC-HUUCEWRRSA-N 285.391 3.568 30 20 CHED Cc1ccc(C)c(Cn2cc(C#N)c(=O)c3ccccc32)c1 57739948 RIQNZERNXXLLOO-UHFFFAOYSA-N 288.350 3.538 30 20 CHED N#Cc1ccsc1C(=O)Nc1ccc(Cl)cc1 52027792 XHGPCUVIXKSJJL-UHFFFAOYSA-N 262.721 3.525 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1ccc(Cl)nc1 179412032 DMLCMBRHFFZVOD-XVNBXDOJSA-N 261.683 3.770 30 20 CHED Cc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1C 113179727 YQSLHNPTKOKIOL-MRXNPFEDSA-N 298.773 3.952 30 20 CHED N#Cc1ccc2nc(N3Cc4ccccc4C3)ccc2c1 179911494 ZMWHPIYQVPQJJT-UHFFFAOYSA-N 271.323 3.627 30 20 CHED C=CCOc1cccc(CN(C)Cc2cnc(C)s2)c1 179381769 KFFFUOILQPZOQW-UHFFFAOYSA-N 288.416 3.648 30 20 CHED C[C@@H](CC#N)N(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1 301780192 SLGYJVIMQDDHOW-LBPRGKRZSA-N 288.439 3.810 30 20 CHED CC(=O)Nc1ccc(CNc2ccc(Cl)cc2C#N)cc1 171562659 BLAGQGYHVFVNDA-UHFFFAOYSA-N 299.761 3.782 30 20 CHED C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(F)cc1C#N 301750269 UGWFRBPFGKCTNY-SJKOYZFVSA-N 284.334 3.621 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 116854387 HJDRYTJTPIMHDR-CQSZACIVSA-N 290.366 3.920 30 20 CHED N#Cc1cc(F)c(NCc2cccs2)c(F)c1 63507903 DXIPTHJPJLUNHQ-UHFFFAOYSA-N 250.273 3.510 30 20 CHED C#CCCCNC(=O)N[C@H](CC)c1ccc(Cl)cc1 174122754 NNYOZYBCEZMZDP-CQSZACIVSA-N 278.783 3.504 30 20 CHED C[C@H](Nc1nccnc1C#N)c1ccc(C(F)(F)F)cc1 301170558 JVNOIDMWGIVFLM-VIFPVBQESA-N 292.264 3.540 30 20 CHED C=CCOCCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 470773767 QBITVYKFFBQKKT-LBPRGKRZSA-N 287.325 3.949 30 20 CHED C=CC[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1 116851950 FNZUMKPTHBGKOV-LBPRGKRZSA-N 281.783 3.580 30 20 CHED N#Cc1ccc(NC2(Cc3cccc(F)c3)CCC2)nc1 302358327 BOAFHVPBRXOPJL-UHFFFAOYSA-N 281.334 3.670 30 20 CHED C=C(C)CSCC(=O)Nc1cc(Cl)ccc1F 177872830 PEPAIEXFENFPMU-UHFFFAOYSA-N 273.760 3.727 30 20 CHED C=CC1CCN(Cc2nc(C(C)(C)C)cs2)CC1 120855261 AQKJLFBKMXGHHH-UHFFFAOYSA-N 264.438 3.839 30 20 CHED C=CCCCC(=O)N(Cc1ccco1)Cc1ccco1 177520774 ZYMRHODOVOSMKD-UHFFFAOYSA-N 273.332 3.758 30 20 CHED C=CCc1ccc(OC(=O)c2cccc(C)c2)c(OC)c1 29124519 JHKVZCMLDNUPQJ-UHFFFAOYSA-N 282.339 3.951 30 20 CHED CCc1c(C)sc(NC(=O)CC(C)(C)C)c1C#N 68677926 FRUPACNQNNBQQK-UHFFFAOYSA-N 264.394 3.865 30 20 CHED CCCCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 66391801 VBCLSUUGBFMWLX-NSHDSACASA-N 285.174 3.864 30 20 CHED C=C(C)CNc1cc(F)c(Br)c(F)c1 307434206 JZECFUPFBVKQTD-UHFFFAOYSA-N 262.097 3.715 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCc1ccc(C(C)C)cc1 127152233 YGBDKORDLHTEQN-KRWDZBQOSA-N 272.392 3.551 30 20 CHED CC(C)(C)SCCCC(=O)N(CC#N)c1ccccc1 178997517 CWFXCMNQGZAZOD-UHFFFAOYSA-N 290.432 3.855 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 126746043 QRGKBFKSUFHVKW-OAHLLOKOSA-N 285.391 3.848 30 20 CHED C[C@@H](Nc1cnc(C#N)cn1)c1ccc(C(F)(F)F)cc1 121353445 LOEJXTZFCIYNPZ-SECBINFHSA-N 292.264 3.540 30 20 CHED CCN(CCCOc1ccc(C#N)cc1)C1CCCCC1 34674123 IGKQBPTZINDMPR-UHFFFAOYSA-N 286.419 3.982 30 20 CHED CO[C@H](CNc1c(F)cc(C#N)cc1F)c1ccccc1 301375942 RKUSBSJUCLXQNL-OAHLLOKOSA-N 288.297 3.636 30 20 CHED C=C(C)CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1 183049391 UANYMZTXEQNSSJ-UHFFFAOYSA-N 290.750 3.643 30 20 CHED C=CCOCCCC(=O)N[C@@H](C)c1cccc2ccccc12 79298128 DLUMYHCDYYLLLR-HNNXBMFYSA-N 297.398 4.000 30 20 CHED N#C[C@@H]1CCC[C@H](NCC2(c3ccccc3)CCC2)C1 185771689 BUMCPONOYZZMLX-WBVHZDCISA-N 268.404 3.780 30 20 CHED CCCc1ncc(C(=O)N(CCC#N)C(C)(C)CC)s1 187522513 NOLVJOISIPKVHX-UHFFFAOYSA-N 293.436 3.640 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OC(C)(C)C)cc1 180424318 JSSYGHLPIOFONZ-UHFFFAOYSA-N 261.365 3.512 30 20 CHED C[C@H](CC(=O)N(CC#N)c1ccccc1)c1ccccc1 78382531 QONMPCPPYNKCKM-OAHLLOKOSA-N 278.355 3.737 30 20 CHED C=CCN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 124530749 FVEDNMFSRBNFRR-UHFFFAOYSA-N 291.782 3.786 30 20 CHED CC1(C)Cc2cccc(CNCc3cccc(C#N)c3)c2O1 78005838 ZXYYWHQULXSCAK-UHFFFAOYSA-N 292.382 3.562 30 20 CHED C=C(Cl)CSCc1noc(-c2ccsc2)n1 79369404 WTXMTFPQZOCZBD-UHFFFAOYSA-N 272.782 3.784 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2csc(Cl)c2)C1 188038294 SVBULEQGSHRXIX-ZANVPECISA-N 282.796 3.604 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(C)cc(Cl)c1 410128967 WIWQAYNOGPJJBB-CYBMUJFWSA-N 251.757 3.733 30 20 CHED C=CCCC(=O)Nc1ccc(Cl)c(OC(F)F)c1 182258284 XQOZNYUDZDJPHN-UHFFFAOYSA-N 275.682 3.846 30 20 CHED C=CCc1ccccc1OCc1nc(C(C)C)no1 76422935 DOCAHPNGHACIJY-UHFFFAOYSA-N 258.321 3.501 30 20 CHED C=CC[C@H](C(=O)Nc1c(C)noc1CC)c1ccccc1 188869560 RXKXUXDRZFHYPV-AWEZNQCLSA-N 284.359 3.844 30 20 CHED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCCc1ccccc1 502378669 VNAOSLQVNHZFMZ-RDJZCZTQSA-N 284.403 3.550 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1ccc(F)cc1F 410146568 ZKHCDXIOFQHQRC-WCQYABFASA-N 281.346 3.929 30 20 CHED C=C(C)C[C@@H](C)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 184936894 HULCQFPNDHKXEQ-OLZOCXBDSA-N 293.357 3.883 30 20 CHED CC[C@@H](C)[C@@H](C)NC1CCN(Cc2ccc(C#N)cc2)CC1 181571281 JGYVAXCQKOGGHJ-HZPDHXFCSA-N 299.462 3.547 30 20 CHED CCc1ccc(CNc2c(C#N)nnc3ccccc23)s1 77189842 VCVXGIOYVPVYST-UHFFFAOYSA-N 294.383 3.737 30 20 CHED CCCCCCCn1ncc(Cl)c(Cl)c1=O 125263001 CDZRWEUTCBOQIE-UHFFFAOYSA-N 263.168 3.521 30 20 CHED CCN(CCOCC1CCC1)[C@H](C)c1ccc(C#N)cc1 419216172 ZROFNQFIYDNPPV-OAHLLOKOSA-N 286.419 3.758 30 20 CHED C=CCOc1cccc(/C=C2\N=C(C(C)(C)C)OC2=O)c1 217928009 LFDBGGOOBRORMX-KAMYIIQDSA-N 285.343 3.594 30 20 CHED C=CCCN(C)C(=O)Cc1cccc(OCC=C(C)C)c1 415507096 UTQZHHHYYHGASP-UHFFFAOYSA-N 287.403 3.609 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H](C)C1 508842544 YHFZWHMLARMSCV-GASCZTMLSA-N 296.418 3.532 30 20 CHED CC#CCCCC(=O)N(C)c1cccc(C(C)C)c1 185270277 QSHTYPLNKFMSIY-UHFFFAOYSA-N 257.377 3.966 30 20 CHED C[C@@H](CCNC(=O)c1ccc(C#N)s1)c1ccccc1 410205850 JFORFVIKNWHNKN-LBPRGKRZSA-N 284.384 3.543 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCCc2ccc(C)cc21 185966919 QZLGUEYGPBEYGD-MRXNPFEDSA-N 269.388 3.538 30 20 CHED C=CCCCC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 189600423 OYRIJUMSIYDPRP-IAGOWNOFSA-N 271.404 3.870 30 20 CHED Cc1cnc(CSCc2ccc(C#N)cc2)s1 180005513 GLFJYKJWOANZOJ-UHFFFAOYSA-N 260.387 3.757 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)CCC1CCCC1 182161871 DTWPVUIYBKSIQW-ZDUSSCGKSA-N 286.375 3.886 30 20 CHED C=CCC1(C(=O)N2CCc3cc(C#N)ccc32)CCCCC1 416018907 XGXGTUBWIFJBEW-UHFFFAOYSA-N 294.398 3.974 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C12CCC(CC1)C2 413988926 PWBWHMDUHJIHMA-TVRKMHQQSA-N 283.415 3.870 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)/C=C/c1cccs1 182115843 KRUWKZODNXSDBQ-IDVQTMNDSA-N 298.367 3.691 30 20 CHED N#CCCCC(=O)N1CCc2ccccc2-c2ccccc21 413969764 WCRMFMVDIIIJPQ-UHFFFAOYSA-N 290.366 3.937 30 20 CHED CCCc1ccc(OC)c(OCCC(C)(C)C#N)c1 410300325 XGBPDHBLVDIIRS-UHFFFAOYSA-N 261.365 3.966 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)C[C@@H](C)c1ccccc1 502469203 NQONORIMDHFCIN-RHSMWYFYSA-N 272.392 3.625 30 20 CHED CC[C@@H]1CN(CCC2(C#N)CCCCC2)CCS1 411304090 VWGQOBKNXPXXND-CQSZACIVSA-N 266.454 3.678 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(C)c(F)c(C)c1 134536172 QTSANSBZFKSJFO-UHFFFAOYSA-N 282.318 3.875 30 20 CHED COc1ccc(CN(C)[C@@H](C)c2ccccc2)cc1C#N 134960874 QIPNKPQHBPDDPP-AWEZNQCLSA-N 280.371 3.760 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccc(OC)c(Cl)c1 412791277 BEWFHLJSIGXPAJ-UHFFFAOYSA-N 281.783 3.519 30 20 CHED Cc1cnn(-c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2F)c1 193266468 KZFKUFQUWHZUNE-KBPBESRZSA-N 298.365 3.814 30 20 CHED C=C(C)CCc1noc(COc2c(C)cccc2C)n1 508644050 SQMOMNMPSSKYQM-UHFFFAOYSA-N 272.348 3.774 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1/N=C(/O)C[C@@H]1CCCC(O)=N1 329354259 YJVNFHKTIQMYBE-VOAKCMCISA-N 266.385 3.667 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC([C@H]2CCCO2)CC1 190048438 ZRTBQQMVRACQLB-KBXCAEBGSA-N 284.403 3.510 30 20 CHED CC[C@H]1C[C@]1(NCCCSCC#N)c1cccc(C)c1 502592528 GGKVSDHMHJEQPV-DOTOQJQBSA-N 288.460 3.857 30 20 CHED CC(C)c1ccc(C[C@H](C)NCc2cc(C#N)n(C)c2)cc1 191529662 VOEXHSLOCIPGDD-HNNXBMFYSA-N 295.430 3.741 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1F 192147318 OAWJIQPSUHOYHH-SNVBAGLBSA-N 290.288 3.826 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(Cl)cc1 48557449 YQAPAWFBDBTLFI-FPLPWBNLSA-N 260.724 3.576 30 20 CHED C#CCCCC(=O)Nc1sc(-c2ccccc2)nc1C 190645104 ZDHOTUYOTFHPOC-UHFFFAOYSA-N 284.384 3.861 30 20 CHED C[C@H](/C(O)=N/[C@H]1CCCc2occc21)c1ncccc1F 329904456 RALYQYKYBXPJOO-GWCFXTLKSA-N 288.322 3.951 30 20 CHED COc1ccc(C#N)cc1CSc1ccc(C(=O)O)cc1 130191811 NIMQHKPSCXLJJU-UHFFFAOYSA-N 299.351 3.557 30 20 CHED C=CCC[C@H](NC1CCN(CC(C)C)CC1)c1ccco1 513703567 XLFUGJOOLGZHFV-KRWDZBQOSA-N 290.451 3.997 30 20 CHED Cc1nc(N2CCC[C@H]2c2cccs2)ccc1C#N 291612497 JSGNEZOBJVUZHP-ZDUSSCGKSA-N 269.373 3.665 30 20 CHED C=C[C@H](CC(=O)NC[C@@H](OC)C(C)(C)C)c1ccccc1 137115264 BHBPRCLGIRGATC-GDBMZVCRSA-N 289.419 3.524 30 20 CHED N#Cc1cccc(CN2CCN(C3CC3)c3ccccc32)c1 425911584 BFMNQJJRPPKAJP-UHFFFAOYSA-N 289.382 3.547 30 20 CHED C[C@@H](Sc1nnc(C2CCC2)n1C)c1ccc(C#N)cc1 329716331 WHWAHTNHPZSREY-LLVKDONJSA-N 298.415 3.808 30 20 CHED N#Cc1csc(CN[C@H]2CCOC3(CCCCC3)C2)c1 136741889 KACRVWHUIIZJOA-AWEZNQCLSA-N 290.432 3.591 30 20 CHED C=C(CNC(=O)N(CC1CC1)C1CCC1)c1ccccc1 512672362 JZHSKATYIIRAIN-UHFFFAOYSA-N 284.403 3.674 30 20 CHED CC(C)c1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 334028809 KUPQUVSLNUBXAF-HIFRSBDPSA-N 271.364 3.624 30 20 CHED CC[C@H](C)[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424969236 AXBVDADARQGODO-XJNFMUPTSA-N 284.403 3.625 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC(C)(C)C1 514230996 QEWKCUNROCBBBV-KRWDZBQOSA-N 296.414 3.899 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(N2CCCC2)c1 336545022 XZSIAAXTYHCWMB-INIZCTEOSA-N 299.418 3.859 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H](C)C(C)(F)F 338687846 OHHRGTFZSIGCPC-SNVBAGLBSA-N 273.348 3.554 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCCC(C)(C)C1 510389780 PICQIAKGQMKBRL-CQSZACIVSA-N 270.376 3.565 30 20 CHED N#CCCN[C@@H]1CCOc2c(-c3ccccc3)cccc21 514825422 UNLHCTCGXPUPKO-QGZVFWFLSA-N 278.355 3.680 30 20 CHED CCc1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)s1 191251309 YSXDSKWISHBSDF-SOFGYWHQSA-N 289.404 3.553 30 20 CHED CCc1oc2ccccc2c1/C=C/C(=O)c1ccnn1C 193053933 GSCSTTCRZMGDEO-CMDGGOBGSA-N 280.327 3.625 30 20 CHED Cc1nn(-c2ccccc2)c(CN(C)CC(C)(C)C)c1C#N 91068356 VKFNVIDVHYXOJZ-UHFFFAOYSA-N 296.418 3.530 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1C(=O)NCCCCC#N 422152596 AFIURPZAXNJWNP-MRXNPFEDSA-N 299.418 3.658 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2ccccc2)C1 333327002 BZRWEZHVTVRJHE-UAGQMJEPSA-N 297.402 3.615 30 20 CHED C=C(C)C(C)(C)c1nc(COc2ccccc2C)no1 424345054 DXCFVIJCJRYDAB-UHFFFAOYSA-N 272.348 3.811 30 20 CHED CC[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 335584546 YOAPVYIYSGQNBZ-NSHDSACASA-N 291.782 3.670 30 20 CHED C[C@@H]1CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 237423843 PYQIKIQXFHHTLJ-IUODEOHRSA-N 281.321 3.835 30 20 CHED Cc1ccc(SCc2cc(C#N)ccc2F)nc1 97363567 UOKFCUSIQPAYLK-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1 337028343 BZEQQYJWTVKJGD-MNOVXSKESA-N 298.308 3.569 30 20 CHED CC(C)(C)CCNC(=O)c1ccc(C(C)(C)C#N)cc1 331027592 CLJWIXDAGVSRAB-UHFFFAOYSA-N 272.392 3.654 30 20 CHED CN(Cc1ccc(F)cc1F)c1ncc(C#N)cc1Cl 339135090 IHBUIBVCYBGARU-UHFFFAOYSA-N 293.704 3.521 30 20 CHED Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCC(C)(C)C#N)c1 512784517 VBLXFTHTGCDWLJ-INIZCTEOSA-N 299.418 3.700 30 20 CHED N#Cc1ccc(OCc2ccc(F)c(Cl)c2)cc1 230400506 AVLZYKMNQXGMOY-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CCN(Cc1cccs1)C(=O)c1cccc(C#N)c1C 337755666 LQYBNYUVMHHFAQ-UHFFFAOYSA-N 284.384 3.591 30 20 CHED COc1ccccc1[C@H]1CCCN1Cc1cc(C#N)cs1 93008448 MWRPXGDBKKHRGP-MRXNPFEDSA-N 298.411 3.965 30 20 CHED C[C@H](NC(=O)[C@H](C)CC1CCCC1)c1ccc(C#N)cc1 510044645 WTDVNMYASLOJPO-KGLIPLIRSA-N 284.403 3.952 30 20 CHED N#CCc1cccc(NC(=O)NC2CCC3(CC2)CC3)c1 333184376 MNSNHXBJEICPBM-UHFFFAOYSA-N 283.375 3.597 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H]1CCC[C@H](SC)C1 432578970 MNFDIHJWFIWRTP-OLZOCXBDSA-N 284.469 3.562 30 20 CHED C[C@H](CCNC(=O)Nc1cccc(C#N)c1)c1ccccc1 96707385 KIEXGYBIACVEPK-CQSZACIVSA-N 293.370 3.874 30 20 CHED N#CCCCOc1cccc(CNCc2ccsc2)c1 237820244 JMKFMUUTYXGESS-UHFFFAOYSA-N 286.400 3.720 30 20 CHED C=CCC(C)(C)c1noc(Cn2c(C)nc3ccccc32)n1 340806017 WDLVQVRGEBSMKA-UHFFFAOYSA-N 296.374 3.630 30 20 CHED C[C@H]1CC[C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C[C@@H]1C 248586185 GFGMLHGCACOEQG-LJIGWXMPSA-N 286.419 3.892 30 20 CHED Cc1ccnc(NCc2cc(-c3ccccc3)on2)c1C#N 343509793 LIQPIMSFGIFDHO-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cn(-c2ccccc2)nc1C 439387945 PUNDAEOXNKEFOQ-AWEZNQCLSA-N 298.390 3.657 30 20 CHED CC(C)[C@H]1C[C@H](Nc2ccc(Cl)cc2C#N)CCO1 540039111 AUTKVFANRSUWKJ-UKRRQHHQSA-N 278.783 3.827 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@H](C)C1CCCCC1 436199815 UYLSTKUFYLRGEE-RYUDHWBXSA-N 288.391 3.794 30 20 CHED C[C@H](CCc1ccsc1)NCC(C)(C)CCC#N 348248088 WDBGRNOJOMLKDV-CYBMUJFWSA-N 264.438 3.989 30 20 CHED Cc1cc(Cl)ccc1-c1noc(CC(C)(C)C#N)n1 601392104 FOTBBDDXUATJFA-UHFFFAOYSA-N 275.739 3.791 30 20 CHED C=CCC[C@@H](NC(=O)c1cnc(C2CC2)[nH]1)c1ccccc1 343420641 HLGKUAWPPLJRAY-OAHLLOKOSA-N 295.386 3.724 30 20 CHED Cc1cc([C@@H](C)NC(=O)/C=C\c2ccccc2C#N)c(C)o1 255470803 JQFSDEGYCNMPGS-LJTDUEICSA-N 294.354 3.659 30 20 CHED CCc1c(C)sc(NC(=O)[C@H]2CC[C@H](C)C2)c1C#N 345426742 FTXNWQSWFLPPFS-ONGXEEELSA-N 276.405 3.865 30 20 CHED C=CCc1cc(C)cc(OC)c1OC[C@@H]1CCCOC1 527112329 MBLOXQLWTFKNIY-CQSZACIVSA-N 276.376 3.538 30 20 CHED N#Cc1ccc(N2CCC(CN3CCCCCC3)CC2)cc1 603855081 AVDXFFKFJLYPHG-UHFFFAOYSA-N 297.446 3.651 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2ccc(F)cc2nc1C 341629518 KDJRVBHSFHNIFR-AWEZNQCLSA-N 286.350 3.767 30 20 CHED Cc1c(-c2noc(C3(C#N)CCC3)n2)oc2ccccc12 445507684 ZTAXNXKZWHVLCO-UHFFFAOYSA-N 279.299 3.737 30 20 CHED CCOc1ccc(Cl)cc1CCN[C@@H]1CC[C@@H](C#N)C1 442821395 DPSFCKBQMMNJFN-IUODEOHRSA-N 292.810 3.563 30 20 CHED C=CCCCCCN(C)C(=O)COc1cc(C)cc(C)c1 606813709 AGWLUPZFQZJLDN-UHFFFAOYSA-N 289.419 3.887 30 20 CHED C=CCOc1cccc(/C=C\c2ccc(C#N)cn2)c1 255779433 XAEAZANJTAUGKU-VURMDHGXSA-N 262.312 3.688 30 20 CHED C=C(CC)CSCCC(=O)N1CCc2sccc2C1 358637973 STKQLAJCSDWREA-UHFFFAOYSA-N 295.473 3.722 30 20 CHED CC(C)(C)[C@H]1OCCC[C@H]1CNc1cccc(F)c1C#N 609823319 RYBQGTPRARLZFI-LRDDRELGSA-N 290.382 3.951 30 20 CHED CC(C)c1ccc(-c2noc(-c3cccc(C#N)c3)n2)cn1 445523893 DCSFXQKITWZPCN-UHFFFAOYSA-N 290.326 3.794 30 20 CHED CCCCOc1ccc(OC)cc1N[C@@H]1CC[C@@H](C#N)C1 442877107 QWMNLJDXYAEJLV-ZIAGYGMSSA-N 288.391 3.978 30 20 CHED C=C(CC)CN[C@H](C(=O)Nc1ccccc1)c1ccccc1 538002937 RYDFOECKWXFXTI-SFHVURJKSA-N 294.398 3.922 30 20 CHED CCCCOc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 442713088 HQXQXOZSSFAAPU-GDBMZVCRSA-N 272.392 3.647 30 20 CHED N#CC1(NC(=O)c2ccc(OC3CCC3)cc2)CCCCC1 266286980 MTOGFYHQKWAFKE-UHFFFAOYSA-N 298.386 3.574 30 20 CHED C=CCCOCCCCC(=O)N1CC=C(C(C)(C)C)CC1 538309859 PLOOBLPBDWKMIB-UHFFFAOYSA-N 293.451 3.954 30 20 CHED C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 358902707 KHIGDMWYERGAEU-WFASDCNBSA-N 270.376 3.562 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)N(C)Cc1ccccc1 449152136 ZVJHKKHQYFJEKW-IVMQYODDSA-N 299.462 3.569 30 20 CHED Cc1ccc(OCCN[C@@H](C)c2ccc(C#N)cc2)c(C)c1 538398761 TUKSDTXRHNDVJX-INIZCTEOSA-N 294.398 3.905 30 20 CHED N#Cc1cc(C(=O)N(Cc2ccccc2)C2CC2)ccc1F 353233012 LZWYOMSFPLFIDM-UHFFFAOYSA-N 294.329 3.502 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCCc1ccccc1 611390217 KLLZRXJQGSJZBN-LJQANCHMSA-N 276.383 3.768 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(c3ccccc3Cl)CC2)C1 442846469 OJBXTNRZZCMULX-QWHCGFSZSA-N 274.795 3.653 30 20 CHED C=CCC[C@@H](CC)NC[C@@H]1CCOC2(CCC2)C1 449474173 CVPNDVLLUYRXAB-HUUCEWRRSA-N 251.414 3.670 30 20 CHED COc1cc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1C#N 442881886 BMTTXAVORNAPDQ-UKPHBRMFSA-N 284.403 3.720 30 20 CHED C[C@@]1(CCc2ccccc2)CCN(C(=O)C2(C#N)CCC2)C1 267646238 ZTNRNUYVZRHHON-GOSISDBHSA-N 296.414 3.552 30 20 CHED N#CCCCNC(=O)c1cc2c(Cl)cccc2s1 612059385 PZIBNFBUNMZTIZ-UHFFFAOYSA-N 278.764 3.588 30 20 CHED CC(C)CCOc1cccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c1 448794077 ARNNMTOMKDYMHF-SUMWQHHRSA-N 286.375 3.600 30 20 CHED C[C@@H]1C[C@H]1[C@@H](NCC1(C#N)CC1)c1ccc(Cl)cc1 538325260 VPLWOTWTJRKQJQ-DFBGVHRSSA-N 274.795 3.930 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(C)[C@H](C)C1CCC1 350740888 JDGHLORVCJBUIN-CHWSQXEVSA-N 276.428 3.602 30 20 CHED C[C@@]1(C#N)CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 612107728 UCQDMKZVURVICK-AWEZNQCLSA-N 293.292 3.707 30 20 CHED CC(C)C(C)(C)CNC(=O)N[C@@H](C)c1cccc(C#N)c1 614997578 MAHWQRAITVEBTF-ZDUSSCGKSA-N 287.407 3.601 30 20 CHED CCC[C@H]1C[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 267738523 OKGGJHAMGPJCQT-SWLSCSKDSA-N 285.391 3.798 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](CCC)OC)c1ccccc1 450180542 JQQDCDZCQDMYAX-CVEARBPZSA-N 275.392 3.625 30 20 CHED C=CCCCC(=O)N[C@H](c1ccccc1)c1ccccn1 365824325 KENLDZJUABCMTC-GOSISDBHSA-N 280.371 3.644 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC[C@](F)(C#N)C1 615596933 VBJBJHABUKTFGV-WBVHZDCISA-N 294.414 3.693 30 20 CHED CC#CCCSCc1ccn(-c2cccc(F)c2)n1 613168863 KOLGYGZVZPDFEW-UHFFFAOYSA-N 274.364 3.658 30 20 CHED C[C@H](CCC1CCCCC1)NC(=O)N(C)CC(C)(C)C#N 458387204 DUYLYNYCEMQECS-CQSZACIVSA-N 293.455 3.927 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 455304746 CUSQZOGINTYIQH-ZFWWWQNUSA-N 290.382 3.679 30 20 CHED Cc1c(C(=O)Nc2cccc(CC#N)c2)ccn1C(C)C 456763023 ZIIKQPXFZHVTMI-UHFFFAOYSA-N 281.359 3.696 30 20 CHED CCSCc1ccc(NC(=O)NCC(C)(C)C#N)cc1 455899345 QOIZINSEIDLLGM-UHFFFAOYSA-N 291.420 3.611 30 20 CHED CC(C)(CC#N)CN[C@@H]1CCC[C@@H](c2cccnc2)C1 459730402 LZWZAXJKBPZVLN-GDBMZVCRSA-N 271.408 3.637 30 20 CHED C[C@@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)c1cccs1 618789533 KBEWDKQATLNETR-ABAIWWIYSA-N 296.395 3.527 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](C)c1cc2ccccc2o1 452774249 KOZMWFNGTLRKKW-LBPRGKRZSA-N 271.360 3.865 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@]2(CCSC2)C1 450901923 JSUGMMVHZIWHSC-HNNXBMFYSA-N 292.835 3.935 30 20 CHED C=CCCc1noc(C(C)(C)c2ccc(F)cc2)n1 453237152 OLWLNVBAFIGTJV-UHFFFAOYSA-N 260.312 3.653 30 20 CHED C[C@@H](C#N)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 542695803 FEVJPSXPYAPGEY-BLLLJJGKSA-N 258.340 3.511 30 20 CHED C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 270981366 DASFAYVKZDAPRQ-GXFFZTMASA-N 278.783 3.703 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(F)c(OC)c2)no1 273864425 SEIQOBDYRYJPNJ-JTQLQIEISA-N 292.310 3.538 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc(CCC2CCCCC2)no1 453096768 VZJOQBKDOKKNKP-KGLIPLIRSA-N 276.380 3.641 30 20 CHED Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1C1CC1 547578461 OQRVGQRRZSWRKO-UHFFFAOYSA-N 268.360 3.895 30 20 CHED C=C(CC)CNC(=O)c1cc(Cl)ccc1OC(F)F 456810122 DPWSQOCXDVNPGR-UHFFFAOYSA-N 289.709 3.637 30 20 CHED Cn1c(SCc2ccc(CC#N)cc2)nc2ccccc21 541264098 MTVDAZIUAHHCLX-UHFFFAOYSA-N 293.395 3.932 30 20 CHED CC(C)[C@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)CS1 277320982 SZKOXNHEQVWKAH-VBNZEHGJSA-N 274.433 3.739 30 20 CHED CC(C)(C#N)CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 278165588 BAAODXSACYRKFP-KRWDZBQOSA-N 296.414 3.995 30 20 CHED CCc1ccccc1CNC(=O)c1ccc(C#N)c(Cl)c1 548290333 LURXDZUSSQCYJV-UHFFFAOYSA-N 298.773 3.704 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1ccccc1Cl)OCC 270030227 DKDNZQYDTXMETR-CYBMUJFWSA-N 268.740 3.617 30 20 CHED C=C(C)CCSc1nnc(-c2ccncc2)n1C1CC1 274746879 NBJZVHVVHOYLKD-UHFFFAOYSA-N 286.404 3.733 30 20 CHED C=CCC1(C(=O)NC2CC(C(F)(F)F)C2)CCCC1 451787198 SCMHJAXVXVKZSE-UHFFFAOYSA-N 275.314 3.580 30 20 CHED C=C(C)CNC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 362648553 JWUPABXDGQFHNA-KGLIPLIRSA-N 257.377 3.668 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@H](OC)c1ccccc1F 541778622 TUAINLGVCILHQO-XEZPLFJOSA-N 265.372 3.846 30 20 CHED C=CCC[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)c1ccccc1 450395090 TZSQHEKAOCWEHW-CQSZACIVSA-N 298.346 3.813 30 20 CHED CN(CCCc1ccsc1)Cc1cccc(C#N)c1 361021333 VBIMNKFJVPHHNQ-UHFFFAOYSA-N 270.401 3.684 30 20 CHED C=CC[C@@H](C)NC(=O)Cc1c(CC)oc2ccccc12 625698513 LCPGBGKAEDLRSS-GFCCVEGCSA-N 271.360 3.619 30 20 CHED C=CCCCc1nc(Cc2cc(C)cc(C)c2)no1 545616264 HVVNFPHVWBSQSA-UHFFFAOYSA-N 256.349 3.786 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2ccccn2)CCCCC1 456371385 SXGMAOOXKDBJSE-AWEZNQCLSA-N 272.392 3.580 30 20 CHED C=CCOc1cccc(NC(=O)N(CC)CCC2CC2)c1 545506670 UYQRJKNGUJPJHE-UHFFFAOYSA-N 288.391 3.905 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 374193267 KLJSUHYYYDUZJY-CHWSQXEVSA-N 293.794 3.677 30 20 CHED C=CC[C@H](CC)N[C@H](CCOC)Cc1cccc(F)c1 467417298 KIDNTCSGCOKHJN-DLBZAZTESA-N 279.399 3.718 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](c1ccccc1)C1CCCC1 464750778 JIJAVJMHSUJSNQ-XJKSGUPXSA-N 272.392 3.792 30 20 CHED C=C(C)Cn1c(N(C)[C@@H](C)CCC)nnc1C(C)(C)C 460554856 SNDRUGHIQXUKOU-ZDUSSCGKSA-N 278.444 3.777 30 20 CHED C[C@@H]1N(c2c(Cl)cccc2C#N)CCC12CCOCC2 374934528 VFQXITGSGYMIJT-LBPRGKRZSA-N 290.794 3.607 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)C(C)(C)C 622944088 DGVJXIJFMLLSTB-GXTWGEPZSA-N 293.357 3.881 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1CC 465368002 VMKCTCFLRDRAIM-IRXDYDNUSA-N 286.419 3.963 30 20 CHED C=CCN(C(=O)c1ccc(F)c(SC)c1)C(C)(C)C 622945020 PARKYNLENBGUPA-UHFFFAOYSA-N 281.396 3.974 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)CCC1 280695756 NSRMYBXOFMQSAB-KOMQPUFPSA-N 287.378 3.934 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CCC(C)C)C1CC1 466378380 LUHIEDONQQQWFU-CYBMUJFWSA-N 252.402 3.561 30 20 CHED C=C[C@@H](C)NC(=O)NCCCc1ccc(C(C)C)cc1 464758573 YYBHCXGDEFOQEH-CQSZACIVSA-N 274.408 3.616 30 20 CHED C=CCCC(=O)Nc1cc(C(C)C)nn1-c1ccccc1 464671467 PXULCIHHHNRERE-UHFFFAOYSA-N 283.375 3.900 30 20 CHED C=CCCC(=O)N[C@H](C)c1ccc(Br)s1 468176449 CPJQSYLTOHITPH-MRVPVSSYSA-N 288.210 3.654 30 20 CHED C=CCC(C)(C)C(=O)NCc1oc2ccccc2c1C 551177797 IJISPSATCXFQAG-UHFFFAOYSA-N 271.360 3.960 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](C)C[C@H](C)CC)cc1 463905906 PIQOIOXKNAOTHH-KGLIPLIRSA-N 275.392 3.806 30 20 CHED C=C[C@H](C)NC(=O)c1sc(-c2ccc(F)cc2)nc1C 465118076 IKRPINCZZYGAJH-VIFPVBQESA-N 290.363 3.562 30 20 CHED C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(C#N)cc1Cl 556262075 VNHVXZFJPKTYPJ-BIGNPOOSSA-N 266.747 3.753 30 20 CHED C=C(C)[C@@H](Cc1nc(CC2(C)CCCC2)no1)OCC 289144189 OHAOLWURICVZOY-CYBMUJFWSA-N 278.396 3.716 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(C#N)cc1F 551240295 ITZALFQYFIHJST-GFCCVEGCSA-N 260.356 3.950 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc2c(c1)COC2 551242254 YZDQBESSWQQLFW-ZDUSSCGKSA-N 259.393 3.970 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1c(F)cncc1F 285738360 RGECNRMPJLZKPW-DCAQKATOSA-N 254.324 3.611 30 20 CHED C=C(C)CCc1noc(-c2cncc(C(F)(F)F)c2)n1 289247511 PMOBXBWDUIDFRN-UHFFFAOYSA-N 283.253 3.659 30 20 CHED C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2CCCC[C@@H]2C)no1 289052849 FSLYBWZBKFLIIR-IGQOVBAYSA-N 276.380 3.812 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)Cc1cncc2ccccc12 476175168 VFTBPMZIUAHQGJ-HNNXBMFYSA-N 296.414 3.838 30 20 CHED COc1cc(C#N)ccc1NC(=O)CCCc1ccccc1 388607057 XETOMXDXVADZPK-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C#Cc1cc(F)c(NCc2ccc(F)cc2F)c(F)c1 802743770 IJKJMTZIKNZSKN-UHFFFAOYSA-N 279.236 3.836 30 20 CHED CC#CC(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 292733983 PUUUKAMAUNPUDF-CQSZACIVSA-N 282.170 3.584 30 20 CHED C#CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1 805837864 GKUCNZOGUBOQJH-UHFFFAOYSA-N 284.378 3.900 30 20 CHED C#Cc1cncc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)c1 806432313 LOSRXBPPYACKMQ-UHFFFAOYSA-N 298.430 3.740 30 20 CHED Cc1ccc(-c2nc([C@H]3CCC(F)(F)C3)no2)cc1C#N 809495930 YDWYRDAQZFMVLO-NSHDSACASA-N 289.285 3.820 30 20 CHED Cc1ccc([C@@]2(C)CCN(c3nc(C)ccc3C#N)C2)cc1 557674006 OIJDVAIOPLTBDP-IBGZPJMESA-N 291.398 3.738 30 20 CHED CC[C@@](C)(C#N)C(=O)OCCCOc1ccc(C)c(C)c1 803784162 MWVCQSWOFDWTMR-KRWDZBQOSA-N 289.375 3.555 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2c[nH]c(C(F)(F)F)c2)cc1 806564350 ABPPBOYEYFTHOS-ZZXKWVIFSA-N 290.244 3.801 30 20 CHED C[C@H](CCNC(=O)c1cccc(CC#N)c1)c1ccccc1 299570097 JTYADCKWQWIXTN-OAHLLOKOSA-N 292.382 3.676 30 20 CHED Fc1ccc(C=NNCC2CCCC2)cc1Cl 808005644 IMYSZZNNSDMZJG-UHFFFAOYSA-N 254.736 3.593 30 20 CHED C[C@H](C#N)OCCN[C@H](C)c1cc(Cl)ccc1Cl 801937254 ILPOEJXSYOFZTC-NXEZZACHSA-N 287.190 3.573 30 20 CHED N#CCCNc1cccc(COC2CCCCC2)c1 563004371 HCFFSHXQZYQKBB-UHFFFAOYSA-N 258.365 3.861 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 295018749 WEWBDEQJVDNUGS-HAQNSBGRSA-N 290.794 3.642 30 20 CHED C#C[C@@H](NC(=O)/C=C/CCC)c1ccc(Cl)cc1F 804416399 FNKOAKLOFSCEFQ-PSKZRQQASA-N 279.742 3.626 30 20 CHED C[C@@H](NC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 473432798 GWXXCFXCTYEMQE-UONOGXRCSA-N 293.370 3.872 30 20 CHED C=C(CNC(=O)C=C1CCC(C)CC1)c1ccccc1 809242464 UELIGMNVHZDTIE-UHFFFAOYSA-N 269.388 3.953 30 20 CHED C[C@@H](C#N)OCCNc1ccccc1SC(F)(F)F 802742414 LWRPDIWNZITXFI-VIFPVBQESA-N 290.310 3.639 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)N1CCC(CCC#N)CC1 568623614 UWHHHBUYSIAUEM-OAHLLOKOSA-N 291.439 3.538 30 20 CHED CC(C)(C)[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 478907195 FXSRAGVWWJLYIT-AWEZNQCLSA-N 285.391 3.848 30 20 CHED C=CCC[C@H](O)CN(C)[C@H](CC)Cc1ccc(C)cc1 472572258 AHZASYNWHZWMHD-MSOLQXFVSA-N 275.436 3.575 30 20 CHED C#Cc1ccc(CN[C@H](C)[C@H](OC)c2ccc(F)cc2)cc1 809631952 KENSBSWBVMREQE-KUHUBIRLSA-N 297.373 3.673 30 20 CHED C#Cc1cc(F)c(NCc2cccc(OC)c2)c(F)c1 802745551 DCYXDMCIAOFDNA-UHFFFAOYSA-N 273.282 3.567 30 20 CHED C=CCC[C@H](CC)Nc1ccc(-c2nc(C)no2)nc1 648761205 PMVSUKOJAKOSCZ-LBPRGKRZSA-N 272.352 3.597 30 20 CHED C=CCC[C@H](NC(=O)C[C@H](C)n1ccnc1)c1ccccc1 563217591 NTODRFIFULRNRD-RDJZCZTQSA-N 297.402 3.658 30 20 CHED C[C@H](C#N)OCCN[C@H](c1ccc(F)cc1F)C(C)(C)C 801938955 LRSBVUMCQITXES-IAQYHMDHSA-N 296.361 3.570 30 20 CHED C[C@H](CC(C)(C)C)C(=O)N[C@@H](C#N)c1ccccc1F 476229390 BFTRNZHPHMEFKB-RISCZKNCSA-N 276.355 3.579 30 20 CHED CN(CCc1cccc2ccccc12)C(=O)CCCC#N 291709391 OJBGQAFGZOIVNP-UHFFFAOYSA-N 280.371 3.535 30 20 CHED CCc1ccc(NC(=O)Nc2ccc(C#N)c(F)c2)cc1 564427949 QNWFIKFUZHRDFD-UHFFFAOYSA-N 283.306 3.904 30 20 CHED C=CCOc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1 565696817 SIBVYLNYGUKOMD-QGZVFWFLSA-N 284.403 3.766 30 20 CHED C#C[C@@H](NC(=O)N1CCC[C@@H](c2ccccc2)C1)C(C)(C)C 814336534 WHKUFCRRNSXRMP-IAGOWNOFSA-N 298.430 3.624 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 488844352 WVXFSPIZWHNWBO-FRRDWIJNSA-N 289.341 3.922 30 20 CHED C(=NOCCC1CC1)c1cnc(-c2ccco2)s1 814247152 TYWJVMJPRBBJAZ-UHFFFAOYSA-N 262.334 3.554 30 20 CHED COc1ccc(F)cc1/C=C1\Cc2ccc(C)cc2C1=O 812243211 GSPWZBDBUDFENE-NTEUORMPSA-N 282.314 3.965 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1cc(Cl)ccn1 814898281 NOFBLBHUDLLXKC-NSHDSACASA-N 276.771 3.853 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C)c1ccccc1Cl 814765500 IDQAGOOJSSTUNO-SECBINFHSA-N 273.710 3.729 30 20 CHED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 577983139 SFVHXOIXNOKWHN-CQSZACIVSA-N 296.345 3.876 30 20 CHED CCC(CC)N(C(=O)Nc1ccc(C#N)c(F)c1)C1CC1 575959167 LRWCUXOXCJYUDM-UHFFFAOYSA-N 289.354 3.882 30 20 CHED C=CCCn1cc(CNc2ccc3c(c2)CCCCC3)nn1 656120024 TZWUDQUTDFSHLI-UHFFFAOYSA-N 296.418 3.735 30 20 CHED Fc1ccc(CON=Cc2ccc3[nH]ccc3c2)cc1 811647432 MNCLYJJJVPSXRM-UHFFFAOYSA-N 268.291 3.858 30 20 CHED C=CCC1(NCc2nccn2Cc2ccccc2)CCCC1 657702710 ONQOPCFHUJAJHD-UHFFFAOYSA-N 295.430 3.910 30 20 CHED C=CC(C)(C)CN[C@@H](c1ccc(OC)cc1)c1ccccn1 652205354 VTHJVCACAZHEGY-SFHVURJKSA-N 296.414 3.981 30 20 CHED C=CCCC(=O)O[C@@H](C)c1ccc(-n2cccn2)c(F)c1 816289659 QCNOHTREPKKBDN-LBPRGKRZSA-N 288.322 3.582 30 20 CHED N#CCCC1CCN(c2ccnc(C(F)(F)F)c2)CC1 570958170 JUXXFTQBDFJFDK-UHFFFAOYSA-N 283.297 3.621 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 487861028 WGDVXLNJYWDGFW-ZIAGYGMSSA-N 290.382 3.679 30 20 CHED C=CC[C@H](CC)NCc1cn(-c2ccccc2F)nc1C 655769961 UIYMUPFAKMQHMJ-HNNXBMFYSA-N 287.382 3.764 30 20 CHED C=CCCCN1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 499261731 FAVAIZTXGLZBLY-OAHLLOKOSA-N 297.345 3.628 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCc1ccc(C)cc1C 494662816 SZUCFPJSXNMGJR-MRXNPFEDSA-N 272.392 3.554 30 20 CHED CCCCCCC[C@H](C)NC1CCN([C@@H]2CCOC2)CC1 827549329 HXAAEEGAWWLCFW-FUHWJXTLSA-N 296.499 3.578 30 20 CHED CN(CCCOc1cccc(Cl)c1)CC(C)(C)C#N 580955661 LNYMVQGNGOELSG-UHFFFAOYSA-N 280.799 3.590 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2cc(C#N)ccc2F)C1 829254516 MWTUMSHFURLFBJ-KRWDZBQOSA-N 288.366 3.740 30 20 CHED C=CC[C@H](C)NC(=O)CCCc1ccccc1Cl 583759757 ZQXSKVHNWKDANI-LBPRGKRZSA-N 265.784 3.744 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1cccc(C#N)c1 903017980 URFWAZVAWNPTDY-OAHLLOKOSA-N 255.365 3.539 30 20 CHED C=C(Br)COC(=O)c1ccccc1OC(C)C 730049300 SAUNMGKKMJVEBN-UHFFFAOYSA-N 299.164 3.539 30 20 CHED C=CCN(C(=O)Nc1ccc(OCC(C)C)nc1)C(C)C 735174161 STJVVPRHBPYTSC-UHFFFAOYSA-N 291.395 3.545 30 20 CHED CC[C@@H](CNC(=O)CCCCCC#N)c1ccccc1 588147506 WCPNYEUKICASTM-HNNXBMFYSA-N 272.392 3.770 30 20 CHED CC(=NOC/C=C/Cl)c1ccc(C(F)(F)F)cn1 905471176 KNWGMPCMDDALDT-OSZIDVQMSA-N 278.661 3.594 30 20 CHED N#CC1(CCCCOc2ccccc2-c2nnco2)CCC1 902722871 NKOBHKWCMVEROC-UHFFFAOYSA-N 297.358 3.980 30 20 CHED CC(=NNc1nccnc1Cl)c1ccc(F)cc1Cl 733079159 XSZQLGYUZANLKW-UHFFFAOYSA-N 299.136 3.759 30 20 CHED Cc1cccc(C)c1CCN[C@H]1CCc2ccc(C#N)cc21 583901894 YTFBYHFUSNOENQ-FQEVSTJZSA-N 290.410 3.995 30 20 CHED CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(CC#N)cc1 271369882 MOJBUCZTEMLDNN-IUODEOHRSA-N 271.364 3.547 30 20 CHED CC(=NNc1nc(-c2cccnc2)no1)[C@H]1CCCC[C@H]1C 834983370 WTESYGSGCBAHHT-RISCZKNCSA-N 299.378 3.746 30 20 CHED C=CCC1(CNCc2cc(C(=O)O)cs2)CCCC1 902267773 ISWZIVXNQBNVMN-UHFFFAOYSA-N 279.405 3.672 30 20 CHED CC[C@@H](CC#N)N[C@H](C)CCSc1ccccc1 582011674 KCEFWVBXRXNWFQ-KGLIPLIRSA-N 262.422 3.839 30 20 CHED CC(C)(C)C[C@@H](Sc1cccc(C#N)c1)C(=O)O 833430298 VDEDJHPDRANQDT-GFCCVEGCSA-N 263.362 3.540 30 20 CHED C=C[C@@H](CC)Cc1nc(-c2ccc(Cl)cn2)no1 904156472 YUQUMBIMGDJHCH-VIFPVBQESA-N 263.728 3.540 30 20 CHED N#C[C@]1(C(=O)OC[C@@H]2CCCCC2(F)F)CC12CCCC2 837903580 WAJCWMKORMCNRL-WFASDCNBSA-N 297.345 3.829 30 20 CHED C=C(Cl)CNC(=O)c1sc(-c2ccccc2)nc1C 736242780 QRYHAIPLLYQODG-UHFFFAOYSA-N 292.791 3.601 30 20 CHED Cc1cc(F)ccc1-c1ccc(C(=O)OCC#N)cc1F 735362584 IHTFMVZXWYHXOF-UHFFFAOYSA-N 287.265 3.621 30 20 CHED C=C[C@](C)(CCOC)c1nc(C2CCCCCC2)no1 582964983 IQJSORUMAJDDSO-MRXNPFEDSA-N 278.396 3.988 30 20 CHED N#Cc1cccc(SCc2cccc(C(=O)O)c2)c1 833075019 JMKZZGDNRAGAAZ-UHFFFAOYSA-N 269.325 3.549 30 20 CHED C#CCCCCC(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 833598772 MLJVYTVYBOFNPD-QZTJIDSGSA-N 283.415 3.880 30 20 CHED C=CCCCCCN1CCC(Nc2ccccn2)CC1 581464360 RHLZQVPTVHCNEW-UHFFFAOYSA-N 273.424 3.704 30 20 CHED Cc1ccc(-c2nc(CON=C3CCC3)co2)cc1 735490395 WJFULOOWORKJQH-UHFFFAOYSA-N 256.305 3.707 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2n1C 835038305 VKMJNWHGLLRBTC-RDBSUJKOSA-N 295.386 3.576 30 20 CHED C[C@H]1CC(=NNc2ccncn2)C[C@@H](c2ccccc2)C1 835001251 FDAJFBYJRJFEGL-HIFRSBDPSA-N 280.375 3.848 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 679904966 PTYKNBDYIRWKLA-WBAXXEDZSA-N 299.414 3.902 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(CCCC)cc2)CC1 831052556 YIMLRJXYOXRNKI-UHFFFAOYSA-N 284.403 3.906 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CC1(Cl)Cl 915680680 YCEVJTKINIFVGI-AWEZNQCLSA-N 297.229 3.964 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2ccc(C)cc21 678922696 UDFMLCRALDQQEM-CQSZACIVSA-N 272.392 3.812 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1ccc(F)cc1Cl 834996727 VRAJBRNNCTUCGE-ZETCQYMHSA-N 282.668 3.744 30 20 CHED C=CC1CCN(c2ncnc3sc(C)c(C)c23)CC1 599945048 DTOPEAZMBZHEKB-UHFFFAOYSA-N 273.405 3.711 30 20 CHED COc1cc(C)c([C@@H](C)/N=C/c2ccccc2O)cc1OC 915980666 YGKWZHRPIRCHCZ-OTGIAGGSSA-N 299.370 3.898 30 20 CHED CCC(C=NNc1ccc(Cl)c(C(=O)O)c1)CC 916259544 OCCWCDKLQXVDCP-UHFFFAOYSA-N 268.744 3.872 30 20 CHED Cc1ccc(C(=O)OCC2(C#N)CCCCC2)c(C2CC2)n1 835281816 HCQFDDAHEBDPBX-UHFFFAOYSA-N 298.386 3.898 30 20 CHED CCC(Cc1cccs1)=NOCc1cccnc1 746576019 GHWYROCYXMPEHQ-UHFFFAOYSA-N 260.362 3.668 30 20 CHED N#Cc1ccc(CCN2CC[C@@H]2c2cccc(F)c2)cc1 595342200 LPJSCKYYEOKGLE-GOSISDBHSA-N 280.346 3.687 30 20 CHED CCc1cccc(C(=O)OCCCCC(C)(C)C#N)n1 838258312 BIICFVLCIICOHX-UHFFFAOYSA-N 274.364 3.521 30 20 CHED C=C(C)COc1cc(CN[C@@H](C)C2CCC2)ccc1OC 677323700 YSLSMQKRSHGTIA-AWEZNQCLSA-N 289.419 3.928 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H](c2ccncc2)C1 590741211 OCMASQAJXBKSAF-LJQANCHMSA-N 291.398 3.641 30 20 CHED C=CCOC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 917306177 WJJWOVARARZDER-ZDUSSCGKSA-N 262.349 3.615 30 20 CHED CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](C2CCCCC2)C1 598629166 YKLQKBAKRRJDDY-IAGOWNOFSA-N 292.467 3.579 30 20 CHED CCCCSCC(=O)N[C@@H](CCC#N)c1ccccc1 749034556 JCUGRCRJVNJLIV-HNNXBMFYSA-N 290.432 3.681 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCC[C@H](CC)C2)c1 741056620 IDKOQOXTEJXHBV-GOEBONIOSA-N 270.376 3.758 30 20 CHED CCCCCCC(=O)Nc1cc(C)c(N(C)C)cc1C#N 841240475 VEUKIKBVHBARGO-UHFFFAOYSA-N 287.407 3.842 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2nc(C)cc(C)c2C#N)CC1 598856485 HUZCQEGYFHQAIR-CQSZACIVSA-N 283.375 3.645 30 20 CHED C=CCCSCCN[C@@H](C)c1ncccc1CC 595057799 FAVBISMJGVOFDT-ZDUSSCGKSA-N 264.438 3.604 30 20 CHED C#CCCCNC(=O)N(CCC)[C@H](CC)c1ccccc1 743692147 SUOVTURIUSHDDR-QGZVFWFLSA-N 286.419 3.973 30 20 CHED C=CCCCC(=O)NCc1cccc2ccsc12 844650463 QQLBHELSKCMUCW-UHFFFAOYSA-N 259.374 3.874 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)c(C)c1)CO2 915987123 TWRJNKRMJWJHLJ-DHDCSXOGSA-N 294.350 3.971 30 20 CHED Cc1ccc(Cc2noc(CC3(C#N)CCCCC3)n2)cc1 596582238 FBIKJFWQQPAZHY-UHFFFAOYSA-N 295.386 3.985 30 20 CHED Cc1nc([C@@H](C)ON=Cc2ccc(C(C)C)cc2)no1 842018078 NZSGTZJLUISKQM-LLVKDONJSA-N 273.336 3.613 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ccccc1C(=O)O 915955497 FLGMXDPDZOEMPK-NSHDSACASA-N 262.353 3.999 30 20 CHED C=CC[C@H]1N(C(=O)C2CCC(OC)CC2)CCCC1(C)C 683457788 LORDQLNKOOHHAP-UYSNPLJNSA-N 293.451 3.785 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cccc(Cl)c2)c1 916269055 OJWWBJNQTYTSMI-UHFFFAOYSA-N 275.695 3.694 30 20 CHED CCc1ccc2c(c1)C(=NNc1ccccc1CC)C(=O)N2 915051290 CHMJZJBRAOGMOZ-UHFFFAOYSA-N 293.370 3.580 30 20 CHED FC1(F)CCC(=NNCCCc2ccccc2)CC1 842528349 RMCLHZPHIQQJFZ-UHFFFAOYSA-N 266.335 3.774 30 20 CHED C/C(=C/C(=O)N[C@](C)(C#N)C1CCCCC1)C(C)(C)C 742676132 HEEXTATYFMPTTH-QAAVPBIRSA-N 276.424 3.958 30 20 CHED CC(=NNc1cc(C)nc(C)n1)c1ccccc1Cl 915970887 RDDFLXNTMOPARK-UHFFFAOYSA-N 274.755 3.583 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1C 598823682 ICCCQLLVJOAMQX-FCEWJHQRSA-N 298.430 3.852 30 20 CHED Cc1ccc2sc(C(=O)N(C3CC3)[C@@H](C)C#N)cc2c1 598134469 JCRTVNHMGZRDKU-NSHDSACASA-N 284.384 3.726 30 20 CHED COc1cccc(/C=N\Cc2cc3ccccc3[nH]2)c1O 746681336 GMCXRRIMXZQPHG-ZDLGFXPLSA-N 280.327 3.501 30 20 CHED CC1(C)C[C@@H](O)c2cc(-c3ccc(F)c(C#N)c3)ccc2O1 846783064 RFKPGWFMJKRMRC-MRXNPFEDSA-N 297.329 3.959 30 20 CHED CCC(=NNc1cncc(Br)c1)[C@@H]1C[C@@H]1C 841632330 MPKMNDHQWAXNBN-GZMMTYOYSA-N 282.185 3.678 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)c1csc(C)n1 747062516 ZJWXUAAFNWQJKT-UHFFFAOYSA-N 290.348 3.504 30 20 CHED Cc1ncsc1C=NNc1ccc(Br)cc1 743434067 JULBELIXHKEKAU-UHFFFAOYSA-N 296.193 3.660 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 593421054 UWBBPVQYHMEJNC-OLZOCXBDSA-N 284.359 3.892 30 20 CHED C/C(=C/C(=O)[C@@H](C#N)c1nc2ccccc2o1)C(C)(C)C 744041191 SJDJRNXVGLWPNV-UCQJPZFISA-N 282.343 3.996 30 20 CHED COc1cc(C(C)=NOCC(C)C)ccc1SC 749636830 SSOAJAAIRPXCCS-UHFFFAOYSA-N 267.394 3.814 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1C[C@H](C)O[C@@H]1C 840871054 BICFWMYUFOHRHR-JONQDZQNSA-N 253.430 3.915 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCCC[C@@H](C)C1 685546065 SFHFNINXVZJBMW-ZIAGYGMSSA-N 276.428 3.604 30 20 CHED CCCCCCCCOC(=O)c1c(C)nn2cccnc12 920537134 LZHYRWFYRGNXIW-UHFFFAOYSA-N 289.379 3.555 30 20 CHED N#Cc1nc(SCCC(F)(F)F)sc1Cl 853564588 SUKCQYVFFJCCHF-UHFFFAOYSA-N 272.704 3.713 30 20 CHED Cc1cccc2ncc(/C=C\C(=O)c3cc(F)cc(F)c3)n12 755707142 XQJBLDQMMDIISR-WAYWQWQTSA-N 298.292 3.817 30 20 CHED CC#CCCCc1nc([C@@H]2CCc3ccccc3C2)no1 685318788 DOZJTCBNNJEFAN-MRXNPFEDSA-N 280.371 3.688 30 20 CHED CC[C@@H](CON=Cc1ccccc1OC)CC(F)F 853638835 AXQIIWGIEZDUNE-LLVKDONJSA-N 271.307 3.727 30 20 CHED C#CC[C@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 757597433 LLXHVIGMHTVZMM-YDZSZYSISA-N 281.380 3.642 30 20 CHED C=C(Cl)CNC(=O)Cc1cc2c(ccc3ccccc32)o1 753294833 XHAMXVYLIWFUFP-UHFFFAOYSA-N 299.757 3.997 30 20 CHED C=C[C@@H](CC)CC(=O)NCCc1nc2ccccc2s1 929475764 YRBAIIKXBRGVFY-LBPRGKRZSA-N 288.416 3.557 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccccc2O)c1 757472935 AXLIWPXEBGVOAS-KHPPLWFESA-N 268.312 3.687 30 20 CHED CC[C@@H](C)n1nc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1C 851208336 RXJISKCNVGPQBZ-DGCLKSJQSA-N 291.395 3.648 30 20 CHED CC(C)c1ncc(C=C2C(=O)c3ccccc3C2=O)s1 758424481 WDRZWINYVVDPMG-UHFFFAOYSA-N 283.352 3.729 30 20 CHED CC[C@H](C#N)OC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 753428979 FCNSZMDBTGPRDQ-RWMBFGLXSA-N 251.370 3.684 30 20 CHED CC(C)C(=NNc1nc(C(F)(F)F)cs1)C1CC1 755902201 ARTIFJGIOLNQPK-UHFFFAOYSA-N 277.315 3.996 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H](C)C3CCCC3)[nH]c12 750712565 LICYXNGJPSJQRG-JSGCOSHPSA-N 295.386 3.874 30 20 CHED C#CCCCC(=O)OCc1cc(Br)ccc1C 759101734 CADOMDSRANCOCS-UHFFFAOYSA-N 295.176 3.604 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 931355489 SJQDUGIQZLAEKQ-GDBMZVCRSA-N 287.403 3.613 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@H](CC=C)C1)c1ccncc1 853747002 NJBHJNRYHDIRMH-RDJZCZTQSA-N 299.418 3.697 30 20 CHED CCc1cnccc1C(=O)/C=C\c1ccc(F)c(F)c1 766772411 RZHIQNLEMXTWGC-XQRVVYSFSA-N 273.282 3.818 30 20 CHED CC[C@H]1CCCC(=NNCc2ccc(C#N)cc2)C1 769821546 SKOPTWAFMCXITJ-ZDUSSCGKSA-N 255.365 3.604 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(C)cc1O 696127636 USYVXVFZUZLWOX-ZDUSSCGKSA-N 265.422 3.661 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H](C)Cc1cccs1 933495691 ZVULVLPDCDDCBK-CHWSQXEVSA-N 265.422 3.645 30 20 CHED C#CCCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C 863164505 LGFWNQYVCGDIEI-UHFFFAOYSA-N 294.398 3.514 30 20 CHED C#CCCc1noc([C@H](C)SCc2ccccc2)n1 762009287 NBQCRJCSKJEXOJ-LBPRGKRZSA-N 272.373 3.630 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(N(C)C)c1C 935252795 WZCDFXKIOWWCMG-ZDUSSCGKSA-N 260.381 3.602 30 20 CHED CCc1oc2ccccc2c1CC(=O)O[C@@H](C#N)C(C)C 860518393 LEBJMNHQRSEIPE-INIZCTEOSA-N 285.343 3.629 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sccc1-c1ccc(F)cc1 767233396 WOJRWBBGFQPZIK-NSHDSACASA-N 287.359 3.648 30 20 CHED C#CCN(Cc1cc(Cl)c(OC)cc1Cl)C1CC1 764677932 XVTQZHLZLPMZHX-UHFFFAOYSA-N 284.186 3.600 30 20 CHED C=CC[C@@H](NC(=O)/C=C/C(=C\C)CC)c1ccncc1 765551298 GWVGVYWHPDXSCE-DLLFCFOMSA-N 270.376 3.728 30 20 CHED CC(=NNCc1cnc2ccccc2c1)c1cc(C)oc1C 764779730 TXBBJFOPXMMJGX-UHFFFAOYSA-N 293.370 3.958 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(O)c(Cl)c1 768771756 FEXNQYCUTKNTHN-UHFFFAOYSA-N 285.734 3.753 30 20 CHED CCCC(=NNc1cccnn1)c1cc(C)sc1C 863093994 JRMVLUPQKTXQKW-UHFFFAOYSA-N 274.393 3.771 30 20 CHED C=CC[C@@H](C)C(C)=NNc1ccnc(Br)c1 769809590 DMECATNYJSKNPX-SECBINFHSA-N 282.185 3.844 30 20 CHED N#C[C@H](OC(=O)[C@H]1CC12CCCC2)C1CCCCC1 776394411 XHQRMDRBDSCYLX-KGLIPLIRSA-N 261.365 3.582 30 20 CHED COCCON=C1CCCc2ccc(C(C)C)cc21 760250312 YNISUURFBSOYNR-UHFFFAOYSA-N 261.365 3.513 30 20 CHED O=C(/C=C/c1cc(F)c(F)cc1F)c1ccccc1O 767729137 LQEDLXFUEUSOHT-AATRIKPKSA-N 278.229 3.706 30 20 CHED Cc1nsc(C)c1COC(=O)CC1(C#N)CCCCC1 1118417603 ZCBNJEVZLUHJFX-UHFFFAOYSA-N 292.404 3.667 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](CC)c1ccc(F)cc1 1117710169 QRRACSICAMOHFZ-SFHVURJKSA-N 295.357 3.617 30 20 CHED CCCC(=CC(=O)OCC(=O)c1ccc(C#N)cc1)CCC 771140017 PZKHTJXJIUABFK-UHFFFAOYSA-N 299.370 3.811 30 20 CHED COc1cccc(OC)c1/C=C1/CCCC(C)(C)C1=O 776190405 VKASDHFGPKBFHB-QXMHVHEDSA-N 274.360 3.866 30 20 CHED C=CCC[C@H](C(=O)OCCCCC#N)c1ccccc1 778558494 BIYSXRAOTZKEHL-INIZCTEOSA-N 271.360 3.973 30 20 CHED FC(F)(F)CCON=C1CCCC[C@H]1N1CCCCC1 777458152 FPZMHQPLWNSFJR-CYBMUJFWSA-N 292.345 3.740 30 20 CHED COc1cc(C=NN[C@@H](C)c2ccccc2)ccc1C 773052938 BMTCVSCWWOKGQO-AWEZNQCLSA-N 268.360 3.688 30 20 CHED C#CCCCCC(=O)N1[C@@H](C)c2ccc(F)cc2C[C@H]1C 773585901 AREIOFTZDRUUJJ-KGLIPLIRSA-N 287.378 3.854 30 20 CHED C=CCN(CCC#N)Cc1ccc2ccc(Cl)cc2n1 878639090 AJSQGTAWLBOWMC-UHFFFAOYSA-N 285.778 3.790 30 20 CHED CCCCCC=NNc1cncc(Br)c1 1116391965 NADXEPNDSSMLQJ-UHFFFAOYSA-N 270.174 3.822 30 20 CHED C=CCC(CC=C)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 1116256001 SVIZRBIJLHFLQK-LLVKDONJSA-N 290.432 3.975 30 20 CHED C(=NOC1CCCC1)c1ccc(OCc2ccncc2)cc1 774602206 GFKZZJMERAEFKI-UHFFFAOYSA-N 296.370 3.954 30 20 CHED C(=NOC1CCOCC1)C(c1ccccc1)c1ccccc1 774438492 RRSKTLUYCSAIRN-UHFFFAOYSA-N 295.382 4.000 30 20 CHED C=CC[C@H](C(=O)N(OC)C1CCCC1)c1ccccc1 779092432 ZOHYWRIDJKMMIQ-INIZCTEOSA-N 273.376 3.679 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)Cc2ccc(C)cc2)c1 778559911 FZYBLULNCTUXBQ-OAHLLOKOSA-N 277.367 3.794 30 20 CHED C=CC(C)(C)CC(=O)NC1(C(F)(F)F)CCCCC1 883979365 KBYSBDLQWOBRJT-UHFFFAOYSA-N 277.330 3.970 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OCCC)cc1 779947842 QGXDGKSPCYLOIV-UHFFFAOYSA-N 273.376 3.998 30 20 CHED N#Cc1ccccc1COC(=O)[C@H]1CCCc2sccc21 771415204 AZSCUVWLBIGPQA-HNNXBMFYSA-N 297.379 3.783 30 20 CHED Cc1nc(C#N)cc(N[C@@H](c2ccccc2C)C2CC2)n1 881976832 DMTQQSJOLKANEF-QGZVFWFLSA-N 278.359 3.528 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cc(N2CCNC2=O)ccc1C 786977456 SCVRLVJOPBRLTO-GXTWGEPZSA-N 287.407 3.537 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1c1ccccc1 780332989 JAPGMVCSCBXWLB-QGZVFWFLSA-N 269.388 3.934 30 20 CHED C=C1CCC(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 889658622 IAYKASIZKFITKH-KRWDZBQOSA-N 282.387 3.894 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 788690556 JZQARGHNCJKBDC-NWDGAFQWSA-N 277.368 3.572 30 20 CHED CCC[C@@H]1CCCC1=NNc1cccc(C(=O)O)c1 788406921 AUYLHZHRVJUBDW-LLVKDONJSA-N 260.337 3.753 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccc2c(=O)[nH]ccc2c1 789071056 OFSKHMMYERYIRY-AWEZNQCLSA-N 283.375 3.752 30 20 CHED CCOc1c(Cl)cccc1C=NNC(CC)CC 782233031 UNBLWHREXLVPRM-UHFFFAOYSA-N 268.788 3.851 30 20 CHED CC[C@H](CC#N)OC(=O)c1oc2ccc(OC)cc2c1C 787088495 NCZJSWUOTLCNHQ-LLVKDONJSA-N 287.315 3.599 30 20 CHED CCN(CCC#N)Cc1cccc(Oc2ccccn2)c1 891577837 GYOUGGSGZAOALL-UHFFFAOYSA-N 281.359 3.609 30 20 CHED CCn1nc(C=NN[C@@H]2CCCC2(C)C)c2ccccc21 782289693 VKVFILDCXXYDIM-MRXNPFEDSA-N 284.407 3.558 30 20 CHED O=C1/C(=C/c2ccccc2)COc2c(F)ccc(F)c21 783711976 OOSMKTYYYUTGIZ-DHZHZOJOSA-N 272.250 3.624 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1cc(Cl)sc1Cl 788030324 MQQFOTIZGRBSNJ-MRVPVSSYSA-N 294.203 3.832 30 20 CHED Clc1cnc(NN=CCC2CCOCC2)c(Cl)c1 788702068 CPEIGSONGAGCPW-UHFFFAOYSA-N 288.178 3.603 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3cc(F)cc(F)c3)cn2c1 789141964 ILZYOAHNXLSWRK-ONEGZZNKSA-N 298.292 3.817 30 20 CHED C=C1CC(c2noc(-c3ccc(Cl)c(OC)c3)n2)C1 896885018 WQEJWBIEGIQEMW-UHFFFAOYSA-N 276.723 3.832 30 20 CHED C=C1CC(c2noc([C@@H]3CCO[C@@H](c4ccccc4)O3)n2)C1 896875758 NMDKWJGVKJTZGH-WMLDXEAASA-N 298.342 3.680 30 20 CHED CCOC(=O)[C@@H]1CCC(=NNCC2(C)CCCC2)C[C@H]1C 793085077 XNHHIAYBKKRFIW-UKRRQHHQSA-N 294.439 3.512 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1cccc(Cl)c1 796891088 RBDXLIDOFGFKPL-HZMBPMFUSA-N 265.740 3.884 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(C#N)c1 799299203 ZGWACDQNRDKSMB-UHFFFAOYSA-N 296.395 3.757 30 20 CHED CC(=NNc1cc(C)cc(C)c1)c1ccnc(F)c1 794879560 XFIVMQWSDQNVRF-UHFFFAOYSA-N 257.312 3.674 30 20 CHED Cc1ccc2c(C(=O)OCC3(C#N)CC3)csc2c1 796354932 ATAYNUYPUGUBON-UHFFFAOYSA-N 271.341 3.670 30 20 CHED CC(C)O[C@H]1CC(=NNc2cccc(Cl)n2)C1(C)C 793175122 OFCSHAPYSNPLQN-NSHDSACASA-N 281.787 3.726 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1cccc(C(F)F)c1 797885183 MYCKWQNFFMUNPA-UHFFFAOYSA-N 291.253 3.754 30 20 CHED Cc1ccc(C(=O)OC[C@@H]2CCC3(CCCC3)O2)cc1C#N 799548267 MMUBOAZGKLLTEW-INIZCTEOSA-N 299.370 3.515 30 20 CHED Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2ccc(C#N)o2)cc1 796883555 QSPRQPVETMEBGL-CVEARBPZSA-N 295.338 3.953 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNc1nc(-c2ccncc2)no1 797402722 MAOLINJUBIJOEJ-NWDGAFQWSA-N 299.378 3.746 30 20 CHED CCc1cccc(C)c1NN=Cc1ccc(NC(C)=O)cc1 799493405 AIOCOJSZDUKCMH-UHFFFAOYSA-N 295.386 3.962 30 20 CHED COc1ccc([C@@H]2C[C@H]2Nc2ccc(Cl)c(C#N)n2)cc1 795257396 CKOPTMKDIKGOKJ-GXTWGEPZSA-N 299.761 3.583 30 20 CHED N#Cc1cnc(Sc2ccc3c(c2)CCC3)c(F)c1 1306916414 CKLAFFRTMOEPER-UHFFFAOYSA-N 270.332 3.732 30 20 CHED C=CC[C@@H](C)NCc1ccc(OC)c2ccccc12 134749512 TWWMOPOOTJVKIK-CYBMUJFWSA-N 255.361 3.903 30 20 CHED C=CCN(C(=O)COc1ccc(Cl)c(CC)c1)C(C)C 1317920056 XMBOKRHEBBWDFE-UHFFFAOYSA-N 295.810 3.704 30 20 CHED C=C(Cl)COc1ccc(C)c2c1C(=O)C[C@H]2C 1317753421 GRBMMVLYUXMSQZ-SECBINFHSA-N 250.725 3.816 30 20 CHED Cc1ccc(-c2ccc(C=NNCC3CCOCC3)o2)cc1 1318640092 FQJWOOYZBRZTIV-UHFFFAOYSA-N 298.386 3.605 30 20 CHED N#Cc1ccc(S[C@@H]2CCc3c(F)cccc32)nc1 1318903192 RLVRITJZMPTXHO-CQSZACIVSA-N 270.332 3.872 30 20 CHED Cc1ccc(C)c(N(C)C(=O)Nc2cc(C)c(C#N)cn2)c1 1311070676 VGMSVUTWKAVKNJ-UHFFFAOYSA-N 294.358 3.547 30 20 CHED N#CCc1cccc(NCCCCC2CCCC2)n1 1320491961 ZOSFKUGUOLVGNJ-UHFFFAOYSA-N 257.381 3.920 30 20 CHED N#CCCN(Cc1cccc(Cl)c1F)CC1CC1 93091558 OLEFEMBETXCXQZ-UHFFFAOYSA-N 266.747 3.605 30 20 CHED N#CCCN(Cc1ccco1)Cc1ccc(Cl)cc1F 189063340 SKMWQDYVOBZHGH-UHFFFAOYSA-N 292.741 3.988 30 20 CHED N#Cc1c(F)cccc1CN1CCCc2ccccc2CC1 1181818483 MPGLNDPLTWGETG-UHFFFAOYSA-N 294.373 3.688 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@H]1CC[C@H](C)CC1 593056754 OSYYOQOWNDTVDM-HDJSIYSDSA-N 264.413 3.601 30 20 CHED CCCCCc1ccc(NC(=O)[C@H](C#N)CC)cc1 593388575 IUBIUFMYVUNJNP-AWEZNQCLSA-N 258.365 3.908 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cccc(C(F)(F)F)c1C 593529827 GOOVADHNFFUNSO-VIFPVBQESA-N 270.254 3.502 30 20 CHED CC(C)[C@H](C#N)NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 1323987816 BOYRHQUMXOHTGJ-INIZCTEOSA-N 298.430 3.680 30 20 CHED C=CCN(C(=O)NCCc1c(F)cccc1Cl)C(C)C 1253001198 OZYIVFGFUHPXMM-UHFFFAOYSA-N 298.789 3.628 30 20 CHED CC(C)(CN1CCC[C@H](CC#N)C1)c1ccccc1 597178210 WLLVHAIXDZUZQI-OAHLLOKOSA-N 256.393 3.590 30 20 CHED Cc1ccccc1C(C)(C)NC(=O)CC#Cc1ccccc1 1331151612 BMFQMSSNMVTEJF-UHFFFAOYSA-N 291.394 3.788 30 20 CHED C=CC[C@@H](N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)O 1331952315 XXVPVWCOVZVOCA-LMLFDSFASA-N 299.823 3.512 30 20 CHED CC1(C)CC(CN=c2cc[nH]c(C#N)c2)CC(C)(C)C1 699565672 HGIZFIWRZGKXJR-UHFFFAOYSA-N 271.408 3.640 30 20 CHED CCCCCCc1nnc(-c2cccc(C#N)c2)o1 1256318802 XOJBIXQPMQWHSC-UHFFFAOYSA-N 255.321 3.731 30 20 CHED CCCC[C@H](CC)CN1CCN(c2ccc(C#N)cc2)CC1 1197033879 ZLJSUUJAZVWGEH-KRWDZBQOSA-N 299.462 3.897 30 20 CHED CCOCc1nnc(-c2sc3ccc(C#N)cc3c2C)o1 1261576699 ZIKOXLRULNRVLN-UHFFFAOYSA-N 299.355 3.668 30 20 CHED Cc1csc(NC(=O)[C@H](C)OC2CCCCC2)c1C#N 1343005206 ORLFSDFCMRWRDU-NSHDSACASA-N 292.404 3.605 30 20 CHED CO[C@@H](Cc1ccccc1)CN(CCC#N)CCC(C)C 1191368010 VWKBTHWBACQKGK-SFHVURJKSA-N 288.435 3.506 30 20 CHED CCOC(=O)CC(C)(C)CCN(CCC#N)CC(C)(C)C 1191132290 JSCZBZQFVRCDOX-UHFFFAOYSA-N 296.455 3.618 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1nc2ccccc2s1 1350406677 PNKBZVIBDSLXQS-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCCC[C@H]1CCC[C@@H]1NC(=O)c1csc(C#N)c1 1435034359 FABREEHAOJCSBY-FZMZJTMJSA-N 276.405 3.708 30 20 CHED CCC[C@H](C(=O)N1CCCc2cc(C#N)ccc21)C(C)C 1526493366 ABBHXHQZVCIFOX-INIZCTEOSA-N 284.403 3.910 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(C#N)cc1 1522034219 XDAAZIOWZCCHGR-AWEZNQCLSA-N 278.355 3.684 30 20 CHED C=C(C)CCN[C@@H](C(=O)O)c1cccc2ccccc12 1602761086 ULIRFMUGPRUEIW-MRXNPFEDSA-N 269.344 3.521 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(C(C)C)cc2O)c1 1468963497 CMXATUABMLABBX-UHFFFAOYSA-N 294.354 3.948 30 20 CHED N#Cc1ccc(NC(=O)c2nccc3occc23)c(Cl)c1 1534932090 NYLIATOACFTZQJ-UHFFFAOYSA-N 297.701 3.605 30 20 CHED N#Cc1ccccc1SCCc1ccccc1C(=O)O 1610633421 LDPBMRVYJGKCJU-UHFFFAOYSA-N 283.352 3.591 30 20 CHED Cc1cc(=NC[C@@H](Cc2ccccc2)C(C)C)c(C#N)c[nH]1 1472763407 SHTLRZQURSLJDL-QGZVFWFLSA-N 293.414 3.610 30 20 CHED C=CC(F)(F)[C@@H](OCc1ccccc1)[C@H]1COC(C)(C)O1 210341534 RGXXXAFNDLNUPK-KGLIPLIRSA-N 298.329 3.545 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCC[C@@H]3C[C@H]23)n1 1612468814 WKGXJOQOHZHDJC-XBFCOCLRSA-N 269.392 3.851 30 20 CHED N#CCC1(CN2CCn3c(cc4ccc(Cl)cc43)C2)CC1 1473440278 UWGPMMFEDPSLLR-UHFFFAOYSA-N 299.805 3.804 30 20 CHED N#Cc1cnnc(Oc2cccc(Oc3ccccc3)c2)c1 1611737840 IMLMYMQLKOPBTH-UHFFFAOYSA-N 289.294 3.933 30 20 CHED Cc1cc(NCCc2ccc(OC(C)C)cc2)ncc1C#N 1641994027 PBDXGJZYKQHVOS-UHFFFAOYSA-N 295.386 3.704 30 20 CHED Cc1nc(C#N)cc(Sc2ccc(Cl)c(F)c2)n1 1652019739 HSELUCZFFYUVOL-UHFFFAOYSA-N 279.727 3.600 30 20 CHED CC[C@@H](CC(F)(F)F)NC(=O)[C@@H](CC#N)c1ccccc1 1584390398 XPTBDIUKGDEUAU-STQMWFEESA-N 298.308 3.531 30 20 CHED C=CCC1(C(=O)Nc2cc(C(=O)O)ccc2Cl)CCC1 1588765179 SNROARQILIYQQN-UHFFFAOYSA-N 293.750 3.723 30 20 CHED Cc1ccc([C@@H]2CCN(c3cc(C)c(C#N)cn3)C2)c(C)c1 1655450410 IAMVAWOSWIMWFV-MRXNPFEDSA-N 291.398 3.872 30 20 CHED C=C(C)C[C@@H](NC(=O)[C@H](CC)CC1CCCCC1)C(=O)O 1588537360 NMKNJUXUBQJYQP-HUUCEWRRSA-N 295.423 3.519 30 20 CHED C[C@@H](CSc1ccccc1)N(C)CC1(CC#N)CC1 1654136186 OLTDLZOLIBETDE-AWEZNQCLSA-N 274.433 3.793 30 20 CHED C=CCCCNC(=O)Nc1ccc(C(=O)O)c2ccccc12 1588803956 PIAIBTQRTCZAAQ-UHFFFAOYSA-N 298.342 3.626 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H]1C 1595652911 JDVYOIMMVXPMPR-GMTAPVOTSA-N 292.329 3.847 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H](Cc2ccccc2)C1 1663700340 XTJIMQCYEOJBLN-SJLPKXTDSA-N 270.420 3.881 30 20 CHED C=C(Cn1c(C)nnc1N(C)CC1CCC1)c1ccccc1 1760362437 KGELGRGABIYWCZ-UHFFFAOYSA-N 296.418 3.536 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC[C@H](C)CC2)c1 1672776189 WLZWOFOZQZDZDK-WFASDCNBSA-N 285.391 3.957 30 20 CHED CC[C@]1(C)CCCC1=NNc1cccc(C(=O)O)c1 1776037472 JPHINNWWFVOQGU-OAHLLOKOSA-N 260.337 3.753 30 20 CHED O=C(O)/C=C\c1ccc(/C=C\C(=O)c2cccc(F)c2)cc1 1776129347 FXBSKQBUZSEWCP-WGEIWTTOSA-N 296.297 3.820 30 20 CHED O=C(O)c1cccc2c(C=NOC3CCCCC3)c[nH]c12 1776056401 IQPCUIDYBQGKHN-UHFFFAOYSA-N 286.331 3.549 30 20 CHED C[C@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C1CC1 161013815 CXFJJWYKVLLWPT-JTQLQIEISA-N 297.383 3.666 30 20 CHED CCc1nc(COc2cc(Cl)ccc2C#N)cs1 161648914 PPWSSDQKRQPAPU-UHFFFAOYSA-N 278.764 3.810 30 20 CHED CC(C)CCOc1cccc(NC(=O)N[C@@H](C)CC#N)c1 158469819 QTJPXOPIXHFRGK-ZDUSSCGKSA-N 289.379 3.535 30 20 CHED CCSCC[C@H](C)Nc1cccc(F)c1C#N 158660575 ISPCTPOBTZGEND-JTQLQIEISA-N 252.358 3.641 30 20 CHED CCOCCC1(CNCc2cccc(C#N)c2)CCCC1 151871873 ZIYBBBDIVHLPEF-UHFFFAOYSA-N 286.419 3.635 30 20 CHED CCCCCCCC(=O)NC[C@H](O)c1cccc(C)c1 153502861 VPDHXQOBPQEOOB-INIZCTEOSA-N 277.408 3.505 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@@H](CCC#N)c2ccccc2)C1 153748625 RDPSQXQHCTULFG-INMHGKMJSA-N 284.403 3.974 30 20 CHED Cc1cccc(OCc2ccc(C#N)cc2F)c1C 19804848 ZHUVDHUCHYDGTR-UHFFFAOYSA-N 255.292 3.893 30 20 CHED CCN(Cc1ccccc1)Cc1cccc(C#N)c1 20302333 DJCUPZRFRKQXQW-UHFFFAOYSA-N 250.345 3.580 30 20 CHED N#CCc1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 252421041 YQUDXVDIDDLZNM-FWEDZOCSSA-N 266.388 3.989 30 20 CHED N#Cc1cc(N[C@@H]2CCCSC2)ccc1C(F)(F)F 128034295 DRYDRVBNXQJXTM-LLVKDONJSA-N 286.322 3.885 30 20 CHED N#Cc1cccc(CN[C@H]2CCSc3ccccc32)c1 35046132 CJOGBHRAWIRWBQ-INIZCTEOSA-N 280.396 3.885 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@H]1CCCc2sccc21 167009715 GDSMBHKXCDIVPZ-AWEZNQCLSA-N 290.432 3.566 30 20 CHED N#Cc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 46046417 CESLTJWGSCZDAI-UHFFFAOYSA-N 285.734 3.533 30 20 CHED CN(Cc1ccoc1)c1ccc(C(F)(F)F)cc1C#N 48910906 FDBUZPSKCTWQCV-UHFFFAOYSA-N 280.249 3.806 30 20 CHED N#Cc1cc(NC(=O)Cc2cccc(Cl)c2)ccc1F 52944692 ZBHMSZMUMAACIU-UHFFFAOYSA-N 288.709 3.532 30 20 CHED Cc1cc(N(C)C)ccc1NCc1cccc(C#N)c1 57667932 GAFLUFGWNCOBNI-UHFFFAOYSA-N 265.360 3.545 30 20 CHED N#Cc1cc(F)cc(OCc2ccc(F)c(F)c2)c1 311874058 MBTJRFRTFSCCFR-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C=C(C)CN(CC)CCCC(=O)c1ccc(F)cc1 515488424 VGKIGMOWJXECFV-UHFFFAOYSA-N 263.356 3.687 30 20 CHED CCc1ccsc1C(=O)Nc1cccc(CC#N)c1 313440702 GKWDVTJBBLSQLW-UHFFFAOYSA-N 270.357 3.629 30 20 CHED N#CCOc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)cc1 81625152 XHRHDUKVYRBLPH-GOEBONIOSA-N 270.376 3.970 30 20 CHED N#Cc1cccc(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 329539254 CJHHGVZUPDINOL-SQWLQELKSA-N 268.360 3.832 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 442887733 BFHASPNAWCXSCM-AWEZNQCLSA-N 272.392 3.579 30 20 CHED CCC[C@@H]1CCC[C@H]1NCCc1cccc(C#N)c1 467445923 MQJPCRQRUPIZQS-IAGOWNOFSA-N 256.393 3.659 30 20 CHED C[C@H](CNc1cccc(Cl)c1C#N)C(F)(F)F 450451448 FOFOCEMKHRZZTL-SSDOTTSWSA-N 262.662 3.822 30 20 CHED CCc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1Cl 557677171 QXDQVCWTHZZRAD-CQSZACIVSA-N 264.756 3.781 30 20 CHED CC1(C)CCCCN(Cc2ccc(C#N)c(F)c2)C1 484007669 NVHCSTXVXCOZHP-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CC(C)Oc1ccccc1NCc1cccc(C#N)c1 37126083 UFZJKPVQFVKZBJ-UHFFFAOYSA-N 266.344 3.958 30 20 CHED CN(CCC(=O)Nc1ccc(C#N)cc1)C1CCCCCC1 41896882 STZXNQKOTHSNFL-UHFFFAOYSA-N 299.418 3.541 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)o1 45403584 BJOMCWVYYVBILJ-UHFFFAOYSA-N 282.343 3.512 30 20 CHED C[C@@H]1CCCC[C@H]1Nc1snc(Cl)c1C#N 48544424 SVHROZKJLIXDMK-VXNVDRBHSA-N 255.774 3.659 30 20 CHED COc1cc(C)ccc1NC(=O)Nc1ccc(C#N)cc1 56343501 SVHVAQCLZNKDFH-UHFFFAOYSA-N 281.315 3.519 30 20 CHED C=CCn1c(SCCCC)nnc1-c1ccoc1C 57917102 GCDLRJDDERXMLS-UHFFFAOYSA-N 277.393 3.925 30 20 CHED N#CCCCOC(=O)C1(c2cccc(F)c2)CCCCC1 64175661 ODTKZKHLTAZBAO-UHFFFAOYSA-N 289.350 3.875 30 20 CHED COCCCN(C)Cc1ccc(-c2ccccc2C#N)cc1 66379093 WNNWLNXVYXMDTG-UHFFFAOYSA-N 294.398 3.694 30 20 CHED C[C@H](CC#N)NCC1CCC(c2ccccc2)CC1 67407562 SHTJKFQISYMEKQ-HPUBIQBYSA-N 256.393 3.852 30 20 CHED CCN(CC#N)C(=O)c1cc(C)n(C2CCCCC2)c1C 68241143 UJRAQXDXKGWUGX-UHFFFAOYSA-N 287.407 3.596 30 20 CHED N#Cc1nnc2ccccc2c1Nc1ccc2[nH]ccc2c1 77224041 HSICBBTXUQPAOG-UHFFFAOYSA-N 285.310 3.726 30 20 CHED CC[C@@H]1CCCCN1C(=O)Nc1ccc(CC#N)cc1 78248319 FEQLTGIZAVRQOD-OAHLLOKOSA-N 271.364 3.549 30 20 CHED Cc1ccccc1CCCN(CCC#N)Cc1ccccn1 84678498 PRHKKOKQEHHNCN-UHFFFAOYSA-N 293.414 3.739 30 20 CHED Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc(C#N)cc2)c1 84726344 KVOZELHUHABRCH-GFCCVEGCSA-N 281.315 3.948 30 20 CHED CCN(Cc1cc2ccccc2s1)C[C@H](C)C#N 91982776 CDKWJTPNUNWVRT-GFCCVEGCSA-N 258.390 3.883 30 20 CHED CCCN(CC#N)Cc1cc(C)c(OC(F)F)c(C)c1 92398177 PRKNQVUKMVFSOS-UHFFFAOYSA-N 282.334 3.640 30 20 CHED C[C@H]1CCC[C@H](CN(CCC#N)Cc2ccccn2)C1 92799549 NJQKTJNKWPRFPU-HOTGVXAUSA-N 271.408 3.624 30 20 CHED Cc1cc(CN(C)[C@@H](C)CC#N)ccc1Oc1cccnc1 93090872 UYELKRJWPOUJBX-HNNXBMFYSA-N 295.386 3.916 30 20 CHED COc1ccsc1CN(CCC#N)CC(C)(C)C 93101131 OHMPLZXWGDRFOE-UHFFFAOYSA-N 266.410 3.518 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc1 96792755 LXYQEPMMBPXJPR-NTMALXAHSA-N 282.339 3.859 30 20 CHED COc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1O 108145353 CZXNTQIEWOMXIX-RIYZIHGNSA-N 280.323 3.532 30 20 CHED CCS[C@H]1CCCCN(Cc2cc(C#N)ccc2F)C1 112088017 OXZRBYNRDRFXAL-HNNXBMFYSA-N 292.423 3.805 30 20 CHED C=CCCCOC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 117994504 WBXAHMWUEJHWNB-QWRGUYRKSA-N 264.287 3.865 30 20 CHED C=CCN(C)Cc1coc(-c2cccc(Cl)c2)n1 121319881 WTJPNGULFOQMLW-UHFFFAOYSA-N 262.740 3.613 30 20 CHED CC(C)Cc1ccc(CCC(=O)N(C)[C@@H](C)CC#N)cc1 125163983 ICHFZDLLSYXWLB-HNNXBMFYSA-N 286.419 3.578 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2ccccc2N(C)C)cc1 127204054 PWFRHLZEFVTNND-AWEZNQCLSA-N 295.386 3.656 30 20 CHED COc1ccnc(CS[C@@H](C)c2ccc(C#N)cc2)c1 127563527 QRXZPRULZQRFPW-LBPRGKRZSA-N 284.384 3.956 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(CC#N)cc2)C1 131062058 FLVZPWRIRFQXKC-HIFRSBDPSA-N 270.376 3.908 30 20 CHED C=CCCN(C)Cc1cc(Br)cs1 132545567 MRNLTESYXDGXBI-UHFFFAOYSA-N 260.200 3.519 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O 139577398 WYOFGNUIJOOGQU-AWEZNQCLSA-N 283.412 3.593 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@@H](CC)c1ccc(OC)cc1 152257902 NOYRJXPRJZLTAU-ZIAGYGMSSA-N 275.392 3.660 30 20 CHED CC(C)(C)SCCCC(=O)Oc1ccc(C#N)cc1 156132841 YKXYDWMEOUZXED-UHFFFAOYSA-N 277.389 3.776 30 20 CHED N#CCCN(Cc1ccco1)Cc1cc(Cl)ccc1F 159604280 FLJSXBNTQKIDPC-UHFFFAOYSA-N 292.741 3.988 30 20 CHED C#CCCCCNC(=O)N[C@@H](C)c1cc(C)sc1C 160335194 WTVVUQKMAUGFEX-LBPRGKRZSA-N 278.421 3.529 30 20 CHED C=CCN(C(=O)c1ccc(Br)cc1)C(C)(C)C 165369589 XVVIHOJBTWGVAB-UHFFFAOYSA-N 296.208 3.876 30 20 CHED CCCCC[C@@H](C)NC(=O)CSc1ccccc1C#N 172679896 GGXHFNIPWDIUKJ-CYBMUJFWSA-N 290.432 3.735 30 20 CHED C=CCOCCCC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 173360927 WRBJJVYZNJWGCI-ZDUSSCGKSA-N 295.810 3.842 30 20 CHED CCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 174092227 NVGNURUSACHFPD-UHFFFAOYSA-N 297.280 3.593 30 20 CHED C=CCCCC(=O)N[C@@H](C)Cc1ccc(C)cc1C 175608427 RPUOKMZCIDORCZ-HNNXBMFYSA-N 259.393 3.707 30 20 CHED C=CCCCC(=O)OCc1nc(Cl)ccc1Cl 175670298 BQBYMBFQNPCQGV-UHFFFAOYSA-N 274.147 3.788 30 20 CHED CC(C)(C#N)CCCNc1ccccc1C(=O)N1CCCC1 177579476 CKDHVAOGWKMSOJ-UHFFFAOYSA-N 299.418 3.664 30 20 CHED COc1ccc(C#N)cc1CN[C@H](c1ccccc1)C1CC1 179697920 OUGYZQXKHRNYMP-LJQANCHMSA-N 292.382 3.808 30 20 CHED N#Cc1cccc(Cl)c1NCc1cccc(O)c1 180418708 KDAIHXVZPKLRFE-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C[C@H](OC(=O)C1(C#N)CCCC1)c1ccccc1F 182043497 WNNFLSRLSWVMSF-NSHDSACASA-N 261.296 3.514 30 20 CHED CCC[C@@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 182145552 WFPVTHDVQFLCMS-CHWSQXEVSA-N 274.364 3.742 30 20 CHED C#CCN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 183351390 AETHNFDNLXGELX-SNVBAGLBSA-N 281.199 3.532 30 20 CHED CC[C@H](CC#N)NC(=O)C(C)(C)Cc1cccc(Cl)c1 183859565 OEMDJHYAHPOETB-CQSZACIVSA-N 292.810 3.717 30 20 CHED CC(=O)c1ccccc1OCc1ccc(Cl)cc1C#N 186353413 AIAMKGVBEWJEJK-UHFFFAOYSA-N 285.730 3.993 30 20 CHED CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C#N)cs1 186383783 WNHDZBYDFFMBBC-OAHLLOKOSA-N 296.395 3.597 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1ccc(F)nc1)C2=O 186420388 MYQDOXUJAFBCBR-UKTHLTGXSA-N 283.302 3.578 30 20 CHED CC(C)C1(C)CCN(C(=O)Nc2ccc(C#N)cc2)CC1 186933159 CUKHBOAIDMHQNY-UHFFFAOYSA-N 285.391 3.848 30 20 CHED O=C1/C(=C/c2cc(F)c(F)cc2F)Cc2cc(O)ccc21 187224914 OOXHGYYIXGNPDH-ONNFQVAWSA-N 290.240 3.632 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@@H](C)[C@H]2CC)cc1 187427480 OQROBMYMAKSEGJ-CZUORRHYSA-N 273.376 3.512 30 20 CHED C=C(C)[C@@H](NCCCSC)c1ccc(F)c(F)c1 187783524 WTROIAAFRVZGDQ-CQSZACIVSA-N 271.376 3.925 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1cccc(C)c1C 188856864 AONUKXFSGGSLIV-CRAIPNDOSA-N 289.419 3.709 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 190832765 YNEDMPZZBRGDCQ-MRXNPFEDSA-N 287.338 3.552 30 20 CHED CCCCNC(=O)[C@@H](C)S[C@@H](C)c1cccc(C#N)c1 190874873 NTWBJUFHVNHYPA-QWHCGFSZSA-N 290.432 3.657 30 20 CHED C#Cc1cccc(NCc2ccc(N(C)C(C)C)nc2)c1 191557319 IHLSCPBNTAWPIZ-UHFFFAOYSA-N 279.387 3.520 30 20 CHED CC(C)(C)c1ncc(C(=O)N(CC#N)c2ccccc2)s1 195115110 WARPHJDRGJKLMX-UHFFFAOYSA-N 299.399 3.611 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccnc(Cl)c1 195409067 OWLQNKPXTZGSPQ-UHFFFAOYSA-N 272.779 3.923 30 20 CHED COc1cc(/C=C\C(=O)c2cccc(C)c2)cc(OC)c1 209181863 VOGKLCAUMNDMTP-FPLPWBNLSA-N 282.339 3.908 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C(=O)O)s2)c(C)c1 213229571 DJLJPZUAWQJGPM-WAYWQWQTSA-N 286.352 3.959 30 20 CHED CC1(C)CN(c2ccc(Cl)cc2C#N)CC(C)(C)O1 226425172 CKROEODUEPGHHJ-UHFFFAOYSA-N 278.783 3.605 30 20 CHED CSC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 227992028 OIGUDRMMXUYEHR-UHFFFAOYSA-N 286.322 3.885 30 20 CHED CC(C)c1ccc(-c2noc(-c3cc(C#N)c[nH]3)n2)cc1 230958122 IDEAANYKMQNSBK-UHFFFAOYSA-N 278.315 3.727 30 20 CHED COc1cc([N+](=O)[O-])ccc1OCCCCC(C)(C)C#N 234806192 KBYRMIHFZKPGLB-UHFFFAOYSA-N 292.335 3.702 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2ccc(CC#N)cc2)C1 245662005 FWAJBUZDTARLDU-NHAGDIPZSA-N 270.376 3.763 30 20 CHED CSCC[C@H](C)N(C)Cc1ccc(O[C@H](C)C#N)cc1 245786133 VFYMYJFNUSRJDG-UONOGXRCSA-N 292.448 3.551 30 20 CHED C=C(C)COCCN[C@@H]1CC[C@H]2CCCC[C@H]2C1 252731141 OLWXMKWBHWYMLM-OWCLPIDISA-N 251.414 3.528 30 20 CHED Cc1ccc(C)c(/C=C\C(=O)c2cncc(F)c2)c1 255759049 INPHBLNQALHJJD-WAYWQWQTSA-N 255.292 3.734 30 20 CHED CN(C)[C@@H](CNc1ccc(C#N)c(Cl)c1)c1ccco1 264606625 DGWKIYQOVMANII-AWEZNQCLSA-N 289.766 3.519 30 20 CHED N#CCC[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1ccccc1 269625669 SLCXGSBXBMWRIA-GOSISDBHSA-N 294.398 3.894 30 20 CHED C[C@@H](NCCCC#N)c1cccc(-c2ccncc2)c1 273268773 OFXZTCFKYIPOLK-CQSZACIVSA-N 265.360 3.703 30 20 CHED Cc1ccnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)c1C#N 274170408 MQYXEXVHBIHLRY-DOTOQJQBSA-N 293.370 3.594 30 20 CHED CC#CCCCC(=O)Oc1ccc(C(=O)CC)cc1F 274359963 VJSXYEUIBJHDQX-UHFFFAOYSA-N 276.307 3.517 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2cc(C)oc2C)no1 277890043 HEVLEWDFGXLJNA-NSHDSACASA-N 262.309 3.600 30 20 CHED Cc1cc(NC(=O)c2cc(C#N)oc2C)ccc1OC(C)C 280587282 ICAQOXOBOQOKTD-UHFFFAOYSA-N 298.342 3.808 30 20 CHED CCOc1ccc(O)c(/C=N/CCCC(F)(F)F)c1 281910428 ZZCZZNNCLZUJIE-RQZCQDPDSA-N 275.270 3.552 30 20 CHED C#CCC(C)(C)c1nc(-c2ccccc2OC(F)F)no1 288973762 MAUKMEYLUMJWCW-UHFFFAOYSA-N 292.285 3.639 30 20 CHED C=C[C@H](Cc1nc([C@](C)(CC)OC)no1)c1ccccc1 290248744 COQKFRMTJHJAOT-DYVFJYSZSA-N 286.375 3.854 30 20 CHED Cc1nc(-c2cccc(NC(=O)CCCC#N)c2)cs1 292718099 TXKNXPYWSXRGLO-UHFFFAOYSA-N 285.372 3.751 30 20 CHED CC[C@@H](NCCc1scnc1C)c1ccc(C#N)cc1 296651610 YWXGVYUXXHPFIP-OAHLLOKOSA-N 285.416 3.607 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1scc(C)c1C#N 297923118 XXVCTYGJGVYNOH-GHMZBOCLSA-N 262.378 3.693 30 20 CHED C=C(Cl)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 297939935 AGIHQPIRPVLAIH-STQMWFEESA-N 272.175 3.512 30 20 CHED N#Cc1ccc(N2C[C@H]3CCC[C@@H]3C2)c(C(F)(F)F)c1 301593157 DVXDHKOAHJDFQR-VXGBXAGGSA-N 280.293 3.813 30 20 CHED C=C(C)COCCNc1nc(C(F)F)nc2ccccc12 301659839 JLZMVPCQXKWRFV-UHFFFAOYSA-N 293.317 3.572 30 20 CHED Cc1nc(N2CC[C@@H](CC(C)C)C2)c(Cl)cc1C#N 307785497 YLRUWLQXWBUICV-LBPRGKRZSA-N 277.799 3.788 30 20 CHED C=CCCC[C@@H](C)Nc1nc(Cl)c(C#N)s1 309321282 AJGXMYJJRACQFI-MRVPVSSYSA-N 255.774 3.825 30 20 CHED C[C@@H](C#N)OCCNc1ccc(-c2ccccc2)cc1 312250509 CHSBUZYIIFJRKU-AWEZNQCLSA-N 266.344 3.694 30 20 CHED C=CCCCCN[C@H](C)c1ccc2c(c1)OCCCO2 312766900 LGLSJXNKEVDAMP-CQSZACIVSA-N 275.392 3.855 30 20 CHED N#CCc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 313531785 ZTSDOKHJPGSNDE-UHFFFAOYSA-N 282.368 3.555 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/C[C@@H]2C[C@H]2C2CCCCC2)CC(O)=N1 329363822 ZRKVFWIJTRQXCQ-UNQGMJICSA-N 292.423 3.914 30 20 CHED Cc1noc(C)c1N=C(O)[C@H]1C[C@@]12CCOc1ccccc12 329737588 TWGAEFYMIPXLLY-CXAGYDPISA-N 298.342 3.620 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCc2sccc21 330476076 GXDVIAYLNDSSOM-CZUORRHYSA-N 290.432 3.613 30 20 CHED CCc1cccc(CC)c1N/C(O)=N/[C@@H]1CCC[C@H]1C#N 330770435 NQSAPVYLXDPPIG-LSDHHAIUSA-N 285.391 3.830 30 20 CHED CC(C)(C)C[C@H](O)C/N=C(/O)c1csc(C(C)(C)C)n1 330830795 IUEFETBWJFZAPD-JTQLQIEISA-N 298.452 3.542 30 20 CHED Cc1cnc([C@@H](C)/N=C(/O)c2ccoc2C(C)C)o1 331096519 MDYKSFJQJOXUHY-SNVBAGLBSA-N 262.309 3.765 30 20 CHED CC[C@H](C)n1ncc(N/C(O)=N/CCC(C)C)c1C 331164107 XRJYZTSUKWRJNA-NSHDSACASA-N 266.389 3.535 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC(F)(F)C1 335075591 GWJZQKGEMOFAPY-SMDDNHRTSA-N 292.329 3.513 30 20 CHED C=CCCC(=O)N1[C@@H](C)c2ccc(F)cc2C[C@H]1C 335105163 UDTHSIXPCNNRQR-NEPJUHHUSA-N 261.340 3.626 30 20 CHED Cc1coc(C)c1C(=O)Nc1ccc(C#N)cc1Cl 335990813 ZGCGAQDBCUQJTA-UHFFFAOYSA-N 274.707 3.674 30 20 CHED N#C[C@@]1(C(=O)Nc2cc(F)c(F)c(F)c2)CC12CCCC2 336219453 DKPYXGRUNGQUPT-OAHLLOKOSA-N 294.276 3.516 30 20 CHED Cc1nc(-c2cccc(NC(=O)[C@@]3(C#N)C[C@H]3C)c2)cs1 336234199 ICXVDZNJCBEGEZ-QLJPJBMISA-N 297.383 3.607 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N(C)Cc1c(Cl)cccc1Cl 336248573 NVQCXCPOHXWHMO-LKFCYVNXSA-N 297.185 3.502 30 20 CHED C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1CC#N 336282838 IFXBIFABFHROSO-GXFFZTMASA-N 276.767 3.781 30 20 CHED N#CCCOc1cc(Br)cc(C(F)(F)F)c1 336668018 QRIPDHRCNPFWAT-UHFFFAOYSA-N 294.070 3.760 30 20 CHED C[C@@H](CC(=O)Nc1cccc(C#N)c1)c1ccccc1F 338875801 LDJMNHBUHQIJMX-LBPRGKRZSA-N 282.318 3.830 30 20 CHED CCCN(CC#N)C(=O)c1cc(Cl)c(F)cc1Cl 339066581 GFHICGVLNNRUBI-UHFFFAOYSA-N 289.137 3.508 30 20 CHED CC(C)(CCC#N)CNC/C=C/c1ccc(F)c(F)c1 342278233 CPTAMEKECNLKHE-HWKANZROSA-N 278.346 3.898 30 20 CHED CCc1nc(C)cc(Sc2ccc(C#N)cc2F)n1 342299444 WTIVYNMLLAHFAD-UHFFFAOYSA-N 273.336 3.509 30 20 CHED Cc1nc2c(s1)[C@@H](NCCc1cccc(C#N)c1)CCC2 343521616 VITZDPLDJBJXOA-HNNXBMFYSA-N 297.427 3.533 30 20 CHED Cc1ccc(-c2nnc([C@H](C)N(C)C[C@@H](C)C#N)o2)cc1C 344344577 CZFBAPRLGOVPNQ-FZMZJTMJSA-N 298.390 3.506 30 20 CHED Cc1cc(CN(CC#N)C2CCCC2)cc2cccnc12 346199835 HFWJYNLRRQXILT-UHFFFAOYSA-N 279.387 3.811 30 20 CHED C=CCC[C@@H](NCCOC1CCC1)c1ccccc1 346882041 AFMTYENPOLCRPE-QGZVFWFLSA-N 259.393 3.853 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1cc2ccccc2s1 348187835 PZDZVTLKHZYGCP-LLVKDONJSA-N 256.374 3.856 30 20 CHED Cc1csc(CN(Cc2ccc(C#N)cc2)CC(C)C)n1 350627234 CYOYOFUPDDSZOG-UHFFFAOYSA-N 299.443 3.981 30 20 CHED CCCN(CC#N)Cc1c(Cl)oc2ccccc12 352655599 TXOQJNPEPGFZIN-UHFFFAOYSA-N 262.740 3.822 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2F)C1 353700235 CHEJFHVECYXZPT-INIZCTEOSA-N 260.356 3.709 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 358053048 ZIEIVAKUNLUYQA-NWDGAFQWSA-N 272.392 3.532 30 20 CHED N#Cc1cc2c(nc1NCc1coc3ccccc13)CCC2 358209952 JINFWIMAUGFVNB-UHFFFAOYSA-N 289.338 3.800 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2cc(C#N)ccc2F)C1 362383767 BFZBMJNBISBPHK-LSDHHAIUSA-N 292.423 3.803 30 20 CHED CC[C@H](Nc1cccc(OCC#N)c1)[C@H]1CC1(C)C 397734229 YZVFSOASXHCVOE-CABCVRRESA-N 258.365 3.826 30 20 CHED CCCC1CCN(Cc2ccc(CC#N)cc2)CC1 398998307 QRTVMUWPFANLOT-UHFFFAOYSA-N 256.393 3.765 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)Nc1cc(C)cc(C#N)c1 402721883 MWVZLEDVYLWQLL-LLVKDONJSA-N 284.281 3.784 30 20 CHED CC[C@@H](C)[C@@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 404159365 UCQKTNPZLVTVJX-GDBMZVCRSA-N 284.403 3.626 30 20 CHED C=CC[C@H](C(=O)N[C@H]1CCC[C@H]1C)c1ccccc1 409667626 UXYDKODIQMKIHO-KBMXLJTQSA-N 257.377 3.651 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(C)c1ccccc1C#N 410571929 DHXOHPMSAYTNBO-DZGCQCFKSA-N 270.376 3.737 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C[C@@H](C)c1ccc(F)cc1F 410831596 ZWGVEEBEXUOBSA-YPMHNXCESA-N 294.345 3.609 30 20 CHED COC(C)(C)CC(=O)Nc1scc(C(C)(C)C)c1C#N 410928928 KILUTDTUGXQVPR-UHFFFAOYSA-N 294.420 3.671 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1cnc(C#N)c(Cl)c1 411036624 XVXJHWMGSACFTQ-JTQLQIEISA-N 279.771 3.617 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1cccc(C2CC2)c1 412319534 TVGQVTJWVYQHOC-INIZCTEOSA-N 257.377 3.577 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H]1C=CCC1 412843793 SRTAQVNCMNUGPS-DLBZAZTESA-N 269.388 3.646 30 20 CHED CC(C)c1nc([C@@H](C)NCC(C)(C)CC#N)cs1 414165071 LDKOPTCHJSXYPU-LLVKDONJSA-N 265.426 3.857 30 20 CHED C=CCCCS[C@@H](C)C(=O)NCc1ccccc1F 419414181 SXPLCMHKPVTECT-LBPRGKRZSA-N 281.396 3.530 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCc3ccc(Cl)cc32)C1 424128083 QUPOZLZEUSMEKY-ZBINZKHDSA-N 260.768 3.609 30 20 CHED CC(C)Cc1cccc([C@@H](C)C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 424965141 IOUQFNZAVXQLEF-UWWQBHOKSA-N 298.430 3.797 30 20 CHED Cc1cc(N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c(C#N)cn1 425224114 CULJCEAFCJWZND-UKRRQHHQSA-N 295.361 3.783 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCc2sccc21 426237727 JIXOCWSRVHXCTP-TZMCWYRMSA-N 290.432 3.876 30 20 CHED C=CC[C@H](NCc1ccc(-c2ccccc2)s1)C(=O)O 426806312 BGXMUVRCPHDOTD-AWEZNQCLSA-N 287.384 3.534 30 20 CHED C=CC[C@H](C)NC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 428883204 UPALAKNQELNFDJ-UXLLHSPISA-N 286.419 3.847 30 20 CHED C=CCC(C)(C)C(=O)NCCOc1ccc(C(C)C)cc1 429900505 GYFNHUFVZYPAIW-UHFFFAOYSA-N 289.419 3.907 30 20 CHED CCN(CC1CCC1)C(=O)Nc1cccc(C#N)c1C 432256987 IHPYJYMDSDBQMT-UHFFFAOYSA-N 271.364 3.521 30 20 CHED C=CCCCCCN(C)C(=O)NCC(C)(C)CC=C 432562613 MHZAVYVPRFZMDW-UHFFFAOYSA-N 266.429 3.977 30 20 CHED CCC1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC1 435355719 FTBMKVYGXHKQMK-UHFFFAOYSA-N 286.375 3.864 30 20 CHED C=C(C)COc1cc(CN[C@@H]2CC[C@H](C)C2)ccc1OC 436415015 TVRGYNALUSBPLW-GOEBONIOSA-N 289.419 3.928 30 20 CHED C=CCc1cc(CNCC(C)(C)C(C)C)cc(OC)c1O 438364726 LLPMNCHYZXZYSH-UHFFFAOYSA-N 291.435 3.901 30 20 CHED CC(C)CCOc1ccccc1CN[C@H]1CC[C@H](C#N)C1 442784466 PPZZQCOSLQUVPA-RDJZCZTQSA-N 286.419 3.893 30 20 CHED CCCC(=O)Nc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442856915 DUFGFAJSTLSQGK-WFASDCNBSA-N 271.364 3.529 30 20 CHED C[C@H](NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccc(C#N)cc1 448667745 YCCOBWOVDUPRIH-QDEZUTFSSA-N 284.403 3.808 30 20 CHED C=CCC1(C(=O)N(C)CCC2CCOCC2)CCCCC1 450105655 PQSDEWHQPFKJEX-UHFFFAOYSA-N 293.451 3.788 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)NCc1ccc(C2CCCCC2)cc1 452165155 WNIAHRPJPGPSNK-IFXJQAMLSA-N 296.414 3.900 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnn(CCC)c1C1CC1 452463196 GQIHIGZRYHXFAS-UHFFFAOYSA-N 287.407 3.877 30 20 CHED C=CCCCCNC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 454803103 FAQAOYHASCDBLI-UONOGXRCSA-N 264.413 3.563 30 20 CHED C=C(C)CN(C)C(=O)NCC1(c2ccc(C)cc2C)CC1 455159955 OJNMDNJDFGZNLI-UHFFFAOYSA-N 286.419 3.553 30 20 CHED C=C(CC)CNC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 455515670 BMDXRFNUTQOKEI-HOCLYGCPSA-N 272.392 3.540 30 20 CHED C=C(C)COCCNC(=O)Nc1ccccc1C(C)(F)F 455764195 CPFMVPLOORZCSN-UHFFFAOYSA-N 298.333 3.513 30 20 CHED C=CC(C)(C)CNC(=O)N1CCCC[C@H]1CCC 458985186 HVFMAXDPLOEYNF-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=CCOc1ccc(C(=O)N(C)[C@H](C)CCCC)cc1 461635519 XZEXZYUUQRLKSW-CQSZACIVSA-N 275.392 3.902 30 20 CHED CCCC[C@@H](CC)CNC(=O)[C@H](C)c1cccc(C#N)c1 461895509 AULIKSJPHLVKEA-HUUCEWRRSA-N 286.419 3.994 30 20 CHED Cc1cc(C)c(C#N)c(N[C@@H]2C[C@H]2Cc2ccccc2)n1 462887193 XQPAAPWQGFFNPI-NVXWUHKLSA-N 277.371 3.613 30 20 CHED C=CCOCCCC(=O)NC1CCC(CCCC)CC1 463155184 HNEDNHGERHCWIV-UHFFFAOYSA-N 281.440 3.834 30 20 CHED C=C(C)CCN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 463199173 GMYSGRLCWPKMDC-TWMKSMIVSA-N 265.441 3.604 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC)Cc1ccccc1C 466386052 AIFDCYIJSRZDNT-MRXNPFEDSA-N 274.408 3.881 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc2nc(N(C)C)ccc2c1 468116341 FCYAHXSNDUDNSI-SFHVURJKSA-N 297.402 3.842 30 20 CHED C=CCCN(C)C(=O)c1ccc(N(CC)CCCC)cc1 468186206 LMJKMHHLJNOVOH-UHFFFAOYSA-N 288.435 3.961 30 20 CHED C=CC[C@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 468655146 HGVQTQAXCHXCGU-SRXBQZRASA-N 260.337 3.552 30 20 CHED C=CCCN(C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 470208860 USUXFSSTVJQKRC-RAXLEYEMSA-N 260.337 3.506 30 20 CHED C=CCCCCNC(=O)CCSc1ccccc1F 471670955 UOBRXXRCADFFQK-UHFFFAOYSA-N 281.396 3.780 30 20 CHED CC(C)(C#N)CCCNC1(c2ccc(F)cc2)CC1 472252668 VNJNRGPYTYLWAZ-UHFFFAOYSA-N 260.356 3.734 30 20 CHED C=CCCCCNC(=O)Nc1cc(OC)ccc1Cl 473651596 KXZXDKOQALUPKG-UHFFFAOYSA-N 282.771 3.826 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C[C@H](C)CC 479938168 GHFHPBOHLGBIOG-OAHLLOKOSA-N 259.393 3.680 30 20 CHED N#Cc1ccc(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cn1 480784476 HACQZTHRYOHDRL-HIFRSBDPSA-N 281.334 3.841 30 20 CHED C=CCCCC(=O)N1CCCc2c(Cl)ccc(OC)c21 481439619 RTIGBJUFEWXYBT-UHFFFAOYSA-N 293.794 3.984 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1 483642684 WFTZEQNLWHGVNL-ZBFHGGJFSA-N 270.376 3.737 30 20 CHED C[C@@H](NCc1scnc1C1CC1)c1ccc(C#N)cc1 486983045 CAMUFIZQVFFKBT-LLVKDONJSA-N 283.400 3.743 30 20 CHED C=CCCCCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 488167015 JHLLHEOVYRIIMO-ZDUSSCGKSA-N 262.353 3.992 30 20 CHED C[C@H]1C[C@H](C)N(Cc2cc(C#N)ccc2Br)C1 492768423 IYZCJGSQBUVIIQ-QWRGUYRKSA-N 293.208 3.551 30 20 CHED CCc1ncc(CN(Cc2ccc(C#N)cc2)C(C)C)s1 507151198 BMVOZUBANHEBLU-UHFFFAOYSA-N 299.443 3.988 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CC)C1 508917432 CBXUJMFRQGFNRZ-OAHLLOKOSA-N 296.418 3.758 30 20 CHED N#CC1(F)CCN(C/C=C/c2ccc(Cl)cc2)CC1 510945290 INICJRRURUMNRZ-OWOJBTEDSA-N 278.758 3.681 30 20 CHED C=CCN(C(=O)CCOc1cccc(C)c1)c1ccccc1 514526798 BOBXNGATKOWYNB-UHFFFAOYSA-N 295.382 3.983 30 20 CHED N#Cc1cc(Nc2ccc(Nc3ccccc3)cc2)ncn1 521343831 QKUSJBJYEPDTHA-UHFFFAOYSA-N 287.326 3.835 30 20 CHED C=C1CCN(CCCOc2cc(C)ccc2C)CC1 524676390 SODTYZIYDOARQA-UHFFFAOYSA-N 259.393 3.724 30 20 CHED C=CCN(C(=O)Nc1c(F)cc(C)cc1Cl)C1CC1 529248809 BOOIZCQOIUTTDQ-UHFFFAOYSA-N 282.746 3.970 30 20 CHED COCc1ccc(NC(=O)[C@@H]2CCC(C)=C(C)C2)cc1C#N 529814306 LVGIWQYVNSUKDH-CQSZACIVSA-N 298.386 3.780 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1ccc(F)cc1C#N 530902558 LXZHWYYXMVYUER-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED CC(C)(C)CN(CCC#N)c1nc2ccccc2o1 534657698 GGPQKSBLERYJDB-UHFFFAOYSA-N 257.337 3.594 30 20 CHED C=CCCc1csc(COc2ccc(F)cc2)n1 535593489 TZBLNYIDOKMHRS-UHFFFAOYSA-N 263.337 3.980 30 20 CHED CC#CCCCC(=O)N[C@@H](c1ccccc1)C(F)(F)F 545216441 CPAWCJGPXVHXRC-AWEZNQCLSA-N 283.293 3.600 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)cc2cccnc12 548319233 OPQPXBXJEOGSNF-UHFFFAOYSA-N 275.739 3.538 30 20 CHED C[C@@](C#N)(NC(=O)[C@H]1CC2CCC1CC2)C1CCCCC1 556182135 INIDFPFOSFBCFK-WINAAZSOSA-N 288.435 3.791 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCc3ccccc31)CC2 562096286 QKYOXYKYIJWWEG-PXNSSMCTSA-N 288.394 3.865 30 20 CHED C=C(C)CN(Cc1ccccc1)c1nnc(C(C)(C)C)n1C 566370388 AFJDDCQUKVEHKS-UHFFFAOYSA-N 298.434 3.695 30 20 CHED C=CCC(C)(C)C(=O)NC[C@@H]1SCCc2ccccc21 569560783 LMHNOIIQSMPIGP-HNNXBMFYSA-N 289.444 3.736 30 20 CHED N#CC1(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)CCC1 571756796 TUQMJCMNASUGPE-IAGOWNOFSA-N 296.414 3.770 30 20 CHED COCC[C@H](Sc1cccnc1C#N)c1ccccc1 580328316 RJQUWHZGHGTTAU-HNNXBMFYSA-N 284.384 3.823 30 20 CHED CCc1ccc2occ(C(=O)N3CCC[C@](C)(C#N)C3)c2c1 586806745 JRXWJTKKHIJFCA-GOSISDBHSA-N 296.370 3.761 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cc2occc2s1 588177705 FEVHUMWRBNBUOG-UHFFFAOYSA-N 276.361 3.554 30 20 CHED COc1ccc(/C=C\C(=O)c2sccc2OC)cc1C#N 588489017 HLSGZMPJNPKCBL-HYXAFXHYSA-N 299.351 3.533 30 20 CHED C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccsc1 591080208 OOILJSNRRKLQKD-XFBWCDHKSA-N 296.395 3.601 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)[C@]1(C#N)CC12CCCC2 591103806 YCOWKWYWJXPXLV-HBUWYVDXSA-N 288.435 3.791 30 20 CHED Cc1ccc(C2(C(=O)N3CCC[C@](C)(C#N)C3)CCC2)cc1 591777792 BQPQQJPZFABKHF-GOSISDBHSA-N 296.414 3.569 30 20 CHED CC[C@@H](OCCN(CC)C[C@H](C)C#N)c1ccccc1 593001828 KGGGRMXNFNCIET-NVXWUHKLSA-N 274.408 3.636 30 20 CHED C[C@H](NC(=O)c1cccc(C2CC2)c1)c1cccc(C#N)c1 593987186 OEEAVKKCZKUTGE-ZDUSSCGKSA-N 290.366 3.927 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc2c(s1)CCCCCC2 594097348 JZNBFYZMCLPUEZ-ZDUSSCGKSA-N 290.432 3.781 30 20 CHED C[C@H](C#N)CN(C)C(=O)CCc1c(Cl)cccc1Cl 594253158 MPWHLRRIQMAQBC-SNVBAGLBSA-N 299.201 3.544 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(F)c(F)c1 594710980 KRIVOACRABTTDR-LLVKDONJSA-N 271.376 3.925 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc(C(F)F)nc1 595057350 CJPJTCVGWAEAKU-NSHDSACASA-N 286.391 3.979 30 20 CHED C=CCC[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccco1 595062137 QWTMPQACVKAHLH-ZOZBEKFXSA-N 295.448 3.566 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 595460346 CNOSZEIIWFHHCX-RBSFLKMASA-N 299.418 3.839 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 595542437 WJJVYHIFEPBGQY-RBSFLKMASA-N 299.418 3.839 30 20 CHED N#CC[C@@H]1CCCN([C@H]2CCc3c(Cl)cccc32)C1 595621389 UFURIQGPYRLRGV-LRDDRELGSA-N 274.795 3.953 30 20 CHED CCN(Cc1nc(-c2ccccc2)cs1)[C@@H](C)C#N 595820062 IPCDSKLASJGUFV-LBPRGKRZSA-N 271.389 3.544 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(F)cc(Cl)c2)C1 597177467 MUAINWUPKCKBQS-LLVKDONJSA-N 266.747 3.605 30 20 CHED CCc1nc(S[C@@H](C#N)C2CC2)c2ccccc2n1 601084846 FWWNXUNOKYMEBQ-ZDUSSCGKSA-N 269.373 3.586 30 20 CHED CCS[C@@H]1CCC[C@H](NC[C@@H](C)CCC#N)C1 602567898 LUQVSEWCIPAZAN-MELADBBJSA-N 254.443 3.580 30 20 CHED CSc1ccc([C@H](C)NC[C@H](C)CCC#N)cc1 602647430 JQRJVXAAXPQZTD-OLZOCXBDSA-N 262.422 3.999 30 20 CHED CCOc1ccc(C[C@@H](C)CNC[C@H](C)CCC#N)cc1 602686733 HHIOJYBZYPHDDB-HZPDHXFCSA-N 288.435 3.793 30 20 CHED CCCC[C@H](CC)CSc1[nH]c(=N)c(C#N)cc1C#N 603722356 KAHFJFGKPYCBRC-NSHDSACASA-N 288.420 3.546 30 20 CHED C=C(C)CN(CC)C(=O)C[C@@H]1CCc2ccccc21 604275435 LSDSEFMUGANSKR-HNNXBMFYSA-N 257.377 3.531 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)C[C@H](C)CC(C)(C)C 604455686 PBUGSZSMCXTREW-WFASDCNBSA-N 252.402 3.503 30 20 CHED C[C@@H](C#N)CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 609524219 XABABFOQCSTOBR-LBPRGKRZSA-N 298.317 3.507 30 20 CHED C=CCCCS[C@H](C)C(=O)NC[C@H](C)c1ccccc1 609804776 HPENSNGEWKELES-LSDHHAIUSA-N 291.460 3.994 30 20 CHED Cc1cn(Cc2ccc(OCC(F)(F)F)cc2)cc1C#N 610915303 OJJMMEHZWWDVBC-UHFFFAOYSA-N 294.276 3.658 30 20 CHED Cc1cc2cc(NC(=O)N3CCC[C@@](C)(C#N)C3)ccc2[nH]1 612306118 GAQHFVDLERGGCS-KRWDZBQOSA-N 296.374 3.634 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ncsc2C(C)C)C1 617778239 AVUQHSQQTAIRMO-LBPRGKRZSA-N 278.421 3.695 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccc(C2CC2)cc1 619552970 NSAGJNDFABLXMR-UHFFFAOYSA-N 266.300 3.589 30 20 CHED CCC(C)(C)CC(=O)NCc1ccc(C#N)c(Cl)c1 619765438 LHEAACFITLFVCJ-UHFFFAOYSA-N 278.783 3.654 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(OCCC)c(F)c1 629506401 XWHIQGIIYNVRJK-GFCCVEGCSA-N 295.354 3.534 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1SC 646552217 NZJMPAXYGHSUMZ-VIFPVBQESA-N 268.357 3.634 30 20 CHED C=C1CCN(C(=O)c2cccc(C(C)(C)C)c2)CC1 654735894 WCIMSORKZNQSII-UHFFFAOYSA-N 257.377 3.776 30 20 CHED C=CCCC(C)(C)NCc1ccc(N2CCCC2)nc1 657805439 OUZQFMUSXLYYJL-UHFFFAOYSA-N 273.424 3.516 30 20 CHED C=CCCCC[C@H](C)NC[C@@H]1CCCN(CC2CC2)C1 663466485 UMFUWHSOVMESRP-WMZOPIPTSA-N 278.484 3.833 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 664332723 GHIQNIGGASIVDV-AWEZNQCLSA-N 286.375 3.709 30 20 CHED C=CC1CCN(C(=O)c2ccc(C3CC3)cc2)CC1 668568745 IZZPMFACFQWABB-UHFFFAOYSA-N 255.361 3.602 30 20 CHED C=C[C@@H](C)NC(=O)c1ccccc1SCc1ccco1 674955674 FWDLPHUONUNPOS-GFCCVEGCSA-N 287.384 3.876 30 20 CHED C=C(CC)CNc1ccc(Oc2ccc(C)nn2)cc1 678611497 QIVRXGPVOSVONU-UHFFFAOYSA-N 269.348 3.955 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](CCC)c1ccccn1 678841076 OCVPFXXJBQZVMC-GDBMZVCRSA-N 289.423 3.967 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1cc(C(C)=O)ccc1C#N 685909108 ILZHCYAJCPZALJ-NWDGAFQWSA-N 258.365 3.997 30 20 CHED CS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)C1 687962972 RDNNOOTUQSVYGT-HZPDHXFCSA-N 274.433 3.583 30 20 CHED CC[C@](C)(C#N)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 701316010 JUHFRUBMPJJBSW-ISZGNANSSA-N 297.185 3.815 30 20 CHED C#C[C@@H](NC(=O)c1cccc2ccsc12)C(C)(C)C 702251347 VCAYRYMFNXDXCE-CYBMUJFWSA-N 271.385 3.679 30 20 CHED C=CCCC(=O)OCc1ccccc1C(F)(F)F 726650781 KXMADZHLHQLQLF-UHFFFAOYSA-N 258.239 3.715 30 20 CHED COc1cc(C(=O)/C=C/c2cccc(C)c2C)ccc1O 731157617 XOGOPMGQTHIFPB-VQHVLOKHSA-N 282.339 3.914 30 20 CHED C=CCOc1ccccc1CNC(=O)C=C1CCCCC1 732019509 JLBYAYSOBFTGMS-UHFFFAOYSA-N 285.387 3.758 30 20 CHED C=CCN(C(=O)NCC[C@H]1CCCC[C@H]1C)C(C)C 734071101 GREZHOBAYZXHPD-HUUCEWRRSA-N 266.429 3.809 30 20 CHED Cc1cc(Cl)ccc1NC(=O)[C@@H](C)ON=C1CCC1 735489929 KODFMWQOWGWNKJ-SNVBAGLBSA-N 280.755 3.532 30 20 CHED C=CCCCOC(=O)c1cc(C2CC2)nc2onc(C)c12 735527527 IJEAAXKMZUUHMT-UHFFFAOYSA-N 286.331 3.532 30 20 CHED C=CCCC(=O)OCc1c(C(=O)O)sc2ccccc12 736097323 GVJZJZHUEMFWMZ-UHFFFAOYSA-N 290.340 3.609 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccc2ccccc2c1 740238647 OXYWFUPZHCIXJM-AWEZNQCLSA-N 284.355 3.864 30 20 CHED C=CCCCN(CC(C)C)C[C@H](O)c1ccc(F)cc1 741791309 PBMRRBDIPCBYHF-KRWDZBQOSA-N 279.399 3.783 30 20 CHED Cc1cc(C)cc(CON=Cc2c(C)nc3sccn23)c1 742360121 VWFPLLFMSJWIDC-UHFFFAOYSA-N 299.399 3.872 30 20 CHED C#CCCCNC(=O)c1cc2c3ccccc3n(C)c2s1 742790350 CEWITDCQBUUZKT-UHFFFAOYSA-N 296.395 3.536 30 20 CHED CCCc1ccc(C(=O)/C=C/c2ccc(C(=O)OC)o2)cc1 749452776 NRWCKJVVLHJDJR-PKNBQFBNSA-N 298.338 3.915 30 20 CHED Cc1cc(C)cc(COC(=O)c2ccc(C#N)s2)c1 750396895 GQQGSLYNVRESHF-UHFFFAOYSA-N 271.341 3.594 30 20 CHED COCC(C)=NNc1cc(C)c2cc(Cl)ccc2n1 750935866 ZMNJPUCUHZTUPG-UHFFFAOYSA-N 277.755 3.631 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1cc(O)cc(O)c1 753695915 DGYGLLVKXRALPW-UHFFFAOYSA-N 296.370 3.813 30 20 CHED CCn1nccc1C=NNc1cc(Cl)ccc1Cl 753709644 OLCHCKBSTASPKH-UHFFFAOYSA-N 283.162 3.656 30 20 CHED CCn1nccc1/C=C\C(=O)c1cc2c(s1)CCCC2 753716205 BWLGJPDLUAUQGI-FPLPWBNLSA-N 286.400 3.739 30 20 CHED C=CCc1cc(OC)cc(CN(C)C[C@@H](C)CC)c1O 754726355 QAOCOLOSKLFSFB-ZDUSSCGKSA-N 277.408 3.607 30 20 CHED CC(C)(C)OCCCOC(=O)c1ccc(Cl)c(C#N)c1 754919082 CKPRPWSXWSEEKX-UHFFFAOYSA-N 295.766 3.574 30 20 CHED Cc1cccc(NN=Cc2cn(-c3ccccc3)nc2C)c1 755465072 DFKAOMNNMMKTJW-UHFFFAOYSA-N 290.370 3.935 30 20 CHED C1CCCN([C@@H]2CCCCC2=NO[C@@H]2CCCCO2)CC1 755813064 BRCDCFRQZXWBDV-IAGOWNOFSA-N 294.439 3.704 30 20 CHED C=C[C@@H](C)NCc1cc(-c2ccccc2)ccc1O 756903148 LLQIQKNYKNGLIG-CYBMUJFWSA-N 253.345 3.723 30 20 CHED CCC(C)(C)CCOC(=O)c1ccc(CC#N)cc1 758678176 PGYYSHNWCNQSMA-UHFFFAOYSA-N 259.349 3.736 30 20 CHED CC(=NOCC(F)F)c1cccc(OC(F)(F)F)c1 758902686 HLIHVNFGXVITDW-UHFFFAOYSA-N 283.196 3.591 30 20 CHED COc1ccc(/C=C2/Oc3cc(C)c(C)cc3C2=O)cc1O 759119095 ZYJHRYPTSGJJIZ-RQZCQDPDSA-N 296.322 3.634 30 20 CHED CC1(CC(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 759427249 VYWLHTOGRBFWGI-CYBMUJFWSA-N 264.328 3.601 30 20 CHED Cc1ccc(F)c(NN=C2[C@H]3CCCO[C@@H]3C2(C)C)c1 759652622 KYIXEXRDSVGFAK-ABAIWWIYSA-N 276.355 3.737 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)C(CC)CC)c1ccccc1 761782555 KMTYVDIJZLZUPH-WMLDXEAASA-N 271.404 3.940 30 20 CHED C=CC[C@@H](NC(=O)C(F)=C1CCCC1)c1ccncc1 763049622 SCPMZPWEPYEIST-CQSZACIVSA-N 274.339 3.613 30 20 CHED FC(F)(F)CON=Cc1ccc(Cl)cc1Cl 764846852 RMXSTDUFUKLPSX-UHFFFAOYSA-N 272.053 3.906 30 20 CHED C=CCN(C(=O)CCc1cncc2ccccc12)C(C)C 764983375 YYNQCSIFSYEWAS-UHFFFAOYSA-N 282.387 3.590 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C#N)cc1 765016757 ZDJOZZYDEQXDPA-ZDUSSCGKSA-N 295.342 3.626 30 20 CHED C[C@@H](CCc1ccsc1)NCc1cc(C#N)ccc1F 765619886 SFDZNPYIRDDATR-LBPRGKRZSA-N 288.391 3.870 30 20 CHED N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1ccccn1 766249434 APLFUGBUINPHRL-ISLQHJTJSA-N 298.361 3.566 30 20 CHED C#CCCCCCC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 766597205 SKHGIADDHVRRPO-CQSZACIVSA-N 295.382 3.677 30 20 CHED Cc1oc2ccccc2c1CC(=O)OCC1(C#N)CCCC1 768010960 RNMAVRKQRZZHMD-UHFFFAOYSA-N 297.354 3.911 30 20 CHED CCC1=C(C(=O)OCCCCC(C)(C)C#N)CCCO1 768893218 OGUWKVLWKXDZSI-UHFFFAOYSA-N 279.380 3.724 30 20 CHED C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](F)c1ccccc1 769387288 DZYKOJUHPXSKQX-LRDDRELGSA-N 298.317 3.627 30 20 CHED C#C[C@H](C)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 769657954 DGDFZNUEWGFKSD-ZDUSSCGKSA-N 294.398 3.531 30 20 CHED CC(C)n1cc(C=NNc2c(F)cccc2Cl)cn1 769830504 OQVRQSNONUWBGW-UHFFFAOYSA-N 280.734 3.703 30 20 CHED Fc1ccc(C#CCSc2ncnc3ccccc23)cc1 771132353 ZHNTXJVWJACHRF-UHFFFAOYSA-N 294.354 3.913 30 20 CHED C#CC[C@@H](N[C@H](COC)Cc1ccccc1)c1ccccc1 773115142 LSCDBRSPRXHWQG-VQTJNVASSA-N 293.410 3.598 30 20 CHED CC1(C)CCCC[C@H]1NN=C1CCC(=O)Nc2ccccc21 773127252 ZNMWYDAOMYMDSJ-MRXNPFEDSA-N 299.418 3.681 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccccc1Cl 773162726 VRSNXLXXBVXEEE-MDWZMJQESA-N 280.714 3.704 30 20 CHED C[C@@H](Oc1cccc2ccccc12)C(=O)OC1(C#N)CCC1 774135245 UJUVGFWJVKDGOE-CYBMUJFWSA-N 295.338 3.597 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCCNc1ccccc1 775398233 YMDXOJYMGXMOFY-IBGZPJMESA-N 291.398 3.637 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1C(=O)Cc1ccccc1CC#N 776963678 DMGJSUTWJYXDPL-YJBOKZPZSA-N 298.430 3.722 30 20 CHED CC(=NNc1ccc(Cl)nc1)C1CCSCC1 777438417 XYPYNUJGZGZCIY-UHFFFAOYSA-N 269.801 3.666 30 20 CHED C=CC[C@@H](C(=O)O[C@@H](C)c1ncc(C)o1)c1ccccc1 778419200 QUFKBORXLAEGJI-DZGCQCFKSA-N 285.343 3.947 30 20 CHED C#CC[C@@H](OC(=O)c1oc(-c2ccccc2)nc1C)C(C)C 779217748 ICHNPPQWZUGCAU-OAHLLOKOSA-N 297.354 3.855 30 20 CHED C=CCc1cc(OC)ccc1OC(=O)c1ncc(C)cc1C 779744654 ZOXWNVJNDFMJAG-UHFFFAOYSA-N 297.354 3.655 30 20 CHED CC(=NNc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 779752107 GZMXQFKPYZTUHJ-SFHVURJKSA-N 293.414 3.997 30 20 CHED C#CCCCCCC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 779914147 NTYDIKITRVBXOP-NVXWUHKLSA-N 293.451 3.528 30 20 CHED C/C(=C\C(=O)OCc1ccc(Cl)cc1C#N)C1CC1 780039027 VXKPXALXYVKBPE-UXBLZVDNSA-N 275.735 3.611 30 20 CHED O=C1/C(=C/C=C/c2ccc(F)cc2)Cc2cc(O)ccc21 780188948 SAOSGRSVKJRONL-SPSBKUJHSA-N 280.298 3.910 30 20 CHED CCn1cc(C=NNc2ccc(OC)cn2)c2ccccc21 780269706 VUIZZJAYLDTZMO-UHFFFAOYSA-N 294.358 3.511 30 20 CHED Clc1csc(C=NNc2ccc3[nH]ncc3c2)c1 782267849 IRHQWWDZQXZTPX-UHFFFAOYSA-N 276.752 3.724 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc2cnccc2c1 782355061 RKRMUTPOFAOPOV-CAOOACKPSA-N 297.317 3.599 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(Cl)nc(Cl)c2)C1 784452705 CESUZXIFTFQFQH-ZDUSSCGKSA-N 284.190 3.514 30 20 CHED FC(F)(F)Oc1ccccc1C=NNC1CCCCC1 786039893 IQLYVWBUQOTAQH-UHFFFAOYSA-N 286.297 3.841 30 20 CHED N#CC1(C(=O)OCC(=O)C2CCCCCC2)CCCCC1 788927424 VYPBEQYMZVTJAS-UHFFFAOYSA-N 291.391 3.543 30 20 CHED CCCCOc1cc(C=NN[C@H](C)CC)ccc1OC 790182909 NHYFSMRISKPLCL-CYBMUJFWSA-N 278.396 3.596 30 20 CHED CC(C)CO[C@@H]1CC(=NNc2cccc(Cl)n2)C1(C)C 793175256 SLYLPMDQEZGXAE-GFCCVEGCSA-N 295.814 3.974 30 20 CHED C=CCCCCC[C@@H](C)NCC1(C(=O)N(C)C)CCCC1 793542423 PYULKYCKJFMTSR-MRXNPFEDSA-N 294.483 3.750 30 20 CHED CSCCON=C(C)c1cc2c(s1)CCCC2 794572633 UEWQYVDSZWQGRW-UHFFFAOYSA-N 269.435 3.731 30 20 CHED C(=NNc1ccc2ccccc2n1)[C@H]1CCCSC1 794858227 ABNYYCRNDXTPNK-GFCCVEGCSA-N 271.389 3.776 30 20 CHED CCCCC[C@@H](NC(=O)NCC1(C#N)CC1)c1ccccc1 797448156 MSPBPMSVJWOXMJ-MRXNPFEDSA-N 299.418 3.911 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H]1CCCc2ccc(F)cc21 797965391 ZPHOGCPDWGYONQ-INIZCTEOSA-N 299.301 3.833 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(S)ccc1F 798725366 XWPDEMNVSAPWNK-UHFFFAOYSA-N 295.379 3.991 30 20 CHED Cc1ccc(C(=O)NCc2coc3ccccc23)cc1C#N 799336548 UEXLYZJCCZWUPE-UHFFFAOYSA-N 290.322 3.543 30 20 CHED CC(C)(C#N)CC(=O)Oc1cccc2c1CCC(C)(C)O2 799412926 JEUGQTVSONNUFE-UHFFFAOYSA-N 287.359 3.635 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cnn(CC)c1 799493908 VEHLWCKQJJHVEB-UHFFFAOYSA-N 270.380 3.610 30 20 CHED CCCC[C@@H](C)C(=O)OCc1ccc(C#N)cc1F 800274790 VXXHKMAJYJYRKI-LLVKDONJSA-N 263.312 3.567 30 20 CHED C[C@@H](C#N)OCCN(C1CC1)[C@@H](C)c1ccccc1Cl 801917830 RNDLLFYJXKGYTR-STQMWFEESA-N 292.810 3.794 30 20 CHED C=C[C@H](CC(=O)N(CC(C)(C)C)OC)c1ccccc1 804582089 NOJZVNDAEBQYHJ-CQSZACIVSA-N 275.392 3.782 30 20 CHED C#CCCCNc1ccccc1O[C@H](C)C(F)(F)F 809194999 HMJOTMGSVRHVII-LLVKDONJSA-N 271.282 3.842 30 20 CHED C#Cc1ccc(CN(CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 809582134 SPNVDKZFVKABAE-IPMKNSEASA-N 297.442 3.693 30 20 CHED C#Cc1ccccc1CC(=O)O[C@@H](C)c1ccc(F)cc1 810551193 PTRKRKJOFQHAPK-ZDUSSCGKSA-N 282.314 3.654 30 20 CHED C=CCCCCOC(=O)c1cccc(-c2cnn(C)c2)c1 811009831 BZJZJAVRJFNDTE-UHFFFAOYSA-N 284.359 3.600 30 20 CHED Fc1ccc(NN=Cc2ncc(-c3ccccc3)s2)nc1 811642081 FCCBGRIGPYGJRR-UHFFFAOYSA-N 298.346 3.790 30 20 CHED CC(=NNC[C@H]1CCSC1)c1ccc2ccccc2c1 811660940 WVPLBXNKNKYOMJ-CQSZACIVSA-N 284.428 3.907 30 20 CHED CC(Cc1ccsc1)=NN[C@H](C)COc1ccccc1 811664591 GJZQOCAJXRBOED-CQSZACIVSA-N 288.416 3.724 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 812006963 GYTDDQVLXPJTKI-GJZGRUSLSA-N 290.382 3.624 30 20 CHED C(=NOC1CCC1)c1ccc(N2CCCCC2)s1 812235390 FNGNQNXTSARMBS-UHFFFAOYSA-N 264.394 3.641 30 20 CHED CCCCCCCCCN(C)C(=O)CC1CCN(C)CC1 813419067 ZMVYUNCUAZSURC-UHFFFAOYSA-N 296.499 3.927 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(Cl)o1 814787876 YDFGKCPIKXFLRM-UHFFFAOYSA-N 273.723 3.727 30 20 CHED CCCC(=NNc1ccccc1F)c1ccccn1 814790309 RNTQIPISEOKBCM-UHFFFAOYSA-N 257.312 3.837 30 20 CHED Cc1c(C=NNc2ncccc2Cl)n(C)c2ccccc12 814810860 XECSDJIYHRYNRO-UHFFFAOYSA-N 298.777 3.981 30 20 CHED C[C@@H]1SCCC1=NNc1cccc(Cl)c1F 814818749 HMGNKJFSULMXRZ-ZETCQYMHSA-N 258.749 3.772 30 20 CHED C[C@@H]1CCCC1=NNc1nnc(-c2ccccc2)s1 814946222 DTIAQTBNWRFACR-SNVBAGLBSA-N 272.377 3.793 30 20 CHED CCCCCCCCCN(C)C(=O)c1cc(F)c[nH]1 815089820 NGLNLOBBZJJJMK-UHFFFAOYSA-N 268.376 3.976 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1cccc(C)c1 815311797 YTEZCZVCTMLHSN-LLVKDONJSA-N 254.276 3.811 30 20 CHED CCCCCCCCCCC(=O)Nc1nc(C)n(C)n1 817019460 KBQJNJZUPBHOEY-UHFFFAOYSA-N 280.416 3.593 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 820645826 BRNASZSGNPKYFU-RRFJBIMHSA-N 288.391 3.564 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C/c2cccs2)c1 821023169 YNUQDZKAFSYHTH-CMDGGOBGSA-N 271.385 3.706 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(OC)c(SC)c1 822372748 BBUVVNDCKZXERX-NSHDSACASA-N 279.405 3.958 30 20 CHED CC[C@H](C)[C@H](C=NNc1ncnc(Cl)c1C(C)C)OC 834975424 KRHDYWGGQYSPSR-QWRGUYRKSA-N 298.818 3.712 30 20 CHED CCC(=NNc1ccc(C)cc1Cl)c1cnn(C)c1 835011979 ORSBZZWSYKPLOE-UHFFFAOYSA-N 276.771 3.608 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)OCc1ccc(CC#N)cc1 835273189 HTQBWHVTLWWPRJ-JKSUJKDBSA-N 271.360 3.622 30 20 CHED C=CCC1(C(=O)O[C@@H]2CCO[C@H](CC)C2)CCCC1 835280280 POZVPVDZJOUSJJ-ZIAGYGMSSA-N 266.381 3.624 30 20 CHED N#Cc1ccc(COC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)c(Cl)c1 835334554 FYEZVMUHJNCECG-MBNYWOFBSA-N 289.762 3.691 30 20 CHED COc1ccccc1CON=Cc1ccccc1C 836493376 KTTIOEWTKCWCNR-UHFFFAOYSA-N 255.317 3.554 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2cccc(Cl)c2)C1 839045400 APUMHYFZRULUOT-UKRRQHHQSA-N 291.778 3.898 30 20 CHED Cc1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc(C)c1F 839051322 DIZMPRRSFYRNQF-OCCSQVGLSA-N 275.323 3.682 30 20 CHED CCC(CC)[C@@H](C)C(=O)Oc1cccc(OCC#N)c1 841344983 CDYZBFONBAERRQ-GFCCVEGCSA-N 275.348 3.567 30 20 CHED CCCCCCCCCNC(=O)N1CC[C@@H](N)[C@@H](CC)C1 841661567 YAGTVNSTXBDQKF-JKSUJKDBSA-N 297.487 3.506 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)/C=C/C3CCCC3)[nH]c12 842722224 MXHPAJRUTQQVTA-ATWMFIQVSA-N 293.370 3.794 30 20 CHED CS[C@H](C)CCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842940401 DGUNEYTXJKPJMQ-MWLCHTKSSA-N 294.445 3.728 30 20 CHED C#CC1CCN(C(=O)/C=C(\C)c2cccc(Cl)c2)CC1 843706616 WKIDZYCXETYHRX-ACCUITESSA-N 287.790 3.615 30 20 CHED C=C(C)CONC(=O)Nc1ccc(OCCC)c(Cl)c1 844513104 LCRJRRDUXNCHAL-UHFFFAOYSA-N 298.770 3.758 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C\c1c(C3CC3)cnn1C)C2=O 849250496 UUHZAFJPIKPEOB-DGGAMASNSA-N 292.382 3.989 30 20 CHED C=CCN(C(=S)Nc1ccc(C)c(C)c1)[C@H](C)COC 849276456 DYYBUFZWPHNOPD-CQSZACIVSA-N 292.448 3.523 30 20 CHED N#CCc1ccc(COC(=O)C2CCC3(CC2)CC3)cc1 850266907 MEROBRSGPCMDFT-UHFFFAOYSA-N 283.371 3.766 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ccn(C(F)F)n1 851145648 YJMJIPVUNXDACG-JQWIXIFHSA-N 284.306 3.570 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@]1(C)CC1(Cl)Cl 851204472 AEUOZMSQLTXJHV-JOYOIKCWSA-N 292.206 3.832 30 20 CHED Cc1nc(Cl)cc(NN=C2[C@@H]3CCC[C@@H]3C2(C)C)n1 853310935 KPBICKNTQFIBPB-ZJUUUORDSA-N 278.787 3.662 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc(O)c3ccccc3c2)C1 855436868 MQJFHTFWZCZPNN-AWEZNQCLSA-N 295.382 3.974 30 20 CHED Cc1ccc(C(=O)OCC2(C#N)CCC2)cc1C(F)(F)F 860167153 CWJADANMVKVGLV-UHFFFAOYSA-N 297.276 3.865 30 20 CHED N#Cc1cccc(Cl)c1NCc1cccc2c1OCC2 864023908 SIUXOFUYPDWVJH-UHFFFAOYSA-N 284.746 3.759 30 20 CHED Cc1cccc(NN=C2CCCc3ncccc32)c1 872325070 BCLWFVNPLOLPMF-UHFFFAOYSA-N 251.333 3.543 30 20 CHED C[C@@H](CCC#N)CNC[C@@H](O)c1ccc(C(C)(C)C)cc1 877039905 QXNDUODFEVEFJN-WMLDXEAASA-N 288.435 3.547 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC1(Cl)Cl 877593927 JSVGEUCJJDRGQR-TZMCWYRMSA-N 295.213 3.719 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1nc(C)cs1)C1CC1 878966968 LTQFOKYRAUXSAJ-CYBMUJFWSA-N 278.421 3.621 30 20 CHED C=CCCCNc1ccc([S@](=N)(=O)C(F)(F)F)cc1 882281303 WDJOYTCNLXMGML-IBGZPJMESA-N 292.326 3.990 30 20 CHED CC1(CCC(=O)Nc2ccc(Cl)cc2C#N)CC1 887994548 BEOPRGIHMKRANX-UHFFFAOYSA-N 262.740 3.730 30 20 CHED N#CC1(CC(=O)N(Cc2ccoc2)C2CC2)CCCCC1 889088870 HEFXZHNRZBKQAW-UHFFFAOYSA-N 286.375 3.635 30 20 CHED C=C1CCC(c2nc(C3(SC)CC3)no2)CC1 896774135 FCRZUFICAZIBKS-UHFFFAOYSA-N 250.367 3.636 30 20 CHED C=C1CC(c2noc(-c3cscc3Br)n2)C1 896876105 BYJIKMMHXYJGSN-UHFFFAOYSA-N 297.177 3.994 30 20 CHED CCC1(C(=O)N(O)Cc2ccc(F)cc2)CCCCC1 901372377 XEGMTYQJZBUKBN-UHFFFAOYSA-N 279.355 3.904 30 20 CHED Cc1cnc2c(OCC3(CC#N)CC3)cccc2c1 902904681 ISLHYFDVDSGGJV-UHFFFAOYSA-N 252.317 3.616 30 20 CHED N#CC1(CCCCOC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CCC1 909370717 MXWVVKDWZCDQDI-QLFBSQMISA-N 275.392 3.830 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(F)cc2ccoc12 909551636 GKNNDEHBAFXUJM-UHFFFAOYSA-N 275.279 3.669 30 20 CHED Clc1ccc(CNN=Cc2ccco2)c(Cl)c1 914696740 LAUUHBVYPTZJGI-UHFFFAOYSA-N 269.131 3.710 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccccc1Cl)C(C)C 915155375 NXZITLWEXFGIEL-LBPRGKRZSA-N 281.783 3.530 30 20 CHED Clc1cc(C=NNc2ccccc2)cc2c1OCO2 917023053 VYBMCSRQEIIMKZ-UHFFFAOYSA-N 274.707 3.515 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1ccncc1 917553098 XDZLHBSTLZRZQZ-UHFFFAOYSA-N 265.360 3.797 30 20 CHED Cc1ccc(C=NNc2cccc3c2CCCC3)o1 917553149 TWTCSBMYVBMBKG-UHFFFAOYSA-N 254.333 3.913 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cccnc1 917872696 OLBVONANHROIQC-AWEZNQCLSA-N 262.397 3.808 30 20 CHED Cc1cccc(C(=O)/C=C2\COc3ccc(F)cc32)c1 918155788 WXLWOZQYAFCCER-MDWZMJQESA-N 268.287 3.793 30 20 CHED C=C(Cl)COC(=O)CCCc1ccc(Cl)cc1 919387959 YSPRIOGCGOBUFI-UHFFFAOYSA-N 273.159 3.958 30 20 CHED C=CCN(C(=O)NC[C@H](C)c1ccc(F)cc1)C(C)C 920053821 HFNRHGNAUUZEPO-ZDUSSCGKSA-N 278.371 3.535 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\C[C@H]1CCCCO1 920387519 QQVRMHTXKQXXNS-CRZGJZTJSA-N 288.174 3.687 30 20 CHED COc1ccc(O)c(/C=N/[C@@H](C)CCc2ccccc2)c1 920942764 PZYWJYZCMZJCNF-ITRAFESCSA-N 283.371 3.841 30 20 CHED CCOc1ccc(N=Cc2ccc(OCC)cc2O)cc1 920943442 JMJMROADBOAAKR-UHFFFAOYSA-N 285.343 3.940 30 20 CHED COC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(F)c(F)c1 925684728 COTDIYMDRZJZPY-NHYWBVRUSA-N 296.361 3.570 30 20 CHED CC[C@H](C)N(CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 930761957 YGYUJEMFJIVNAD-STQMWFEESA-N 289.379 3.630 30 20 CHED C=CC1CCN(C(=O)c2ccsc2C(F)F)CC1 932505851 MPLBRUIYIJMAJX-UHFFFAOYSA-N 271.332 3.724 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ccon2)cc1 933720904 RLKOGPHPTFLWEG-OAHLLOKOSA-N 297.358 3.914 30 20 CHED C=CCC1(CNc2cccc(CC#N)n2)CCCC1 1117758249 MBGYMSSFWTYHKP-UHFFFAOYSA-N 255.365 3.696 30 20 CHED N#CCC1(COC(=O)Cc2cccc(Cl)c2Cl)CC1 1118399179 NKTPMTUYOWNREZ-UHFFFAOYSA-N 298.169 3.773 30 20 CHED COC[C@H](NCCCCC1(C#N)CCC1)c1ccc(C)o1 1119809537 CBPQUZMXCMWXPD-HNNXBMFYSA-N 290.407 3.729 30 20 CHED C=C(C)CCC(=O)N1[C@@H](C)c2ccc(OC)cc2C[C@H]1C 1120717588 SBOWLQBCDFUBLL-KGLIPLIRSA-N 287.403 3.886 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H]2C(C)(C)C)cc1 1120765644 MXSIOVSVCUDRKK-OAHLLOKOSA-N 284.403 3.748 30 20 CHED N#CC[C@@H](OC(=O)C1CCC(F)(F)CC1)c1ccco1 1123462996 PLOGZHMPFPSJDF-GFCCVEGCSA-N 283.274 3.603 30 20 CHED CC(C)CC1(CNC(=O)[C@H](CC#N)c2ccccc2)CC1 1127157894 QHAGUZCXWBKSAK-MRXNPFEDSA-N 284.403 3.626 30 20 CHED C[C@@H](C1CCCCC1)N(C)CCOc1cccc(C#N)c1 1169933174 JUUZOWSTUFECBV-HNNXBMFYSA-N 286.419 3.838 30 20 CHED CC(C)(CCNC(=O)Nc1cccc(C#N)c1)C1CC1 1214487203 HFUZMFITUNDPJH-UHFFFAOYSA-N 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WTWZQQKAWSCFOK-CYBMUJFWSA-N 270.376 3.658 30 20 CHED C=C1CCN(C(=O)c2cncc(-c3cccc(C)c3)c2)CC1 425945538 LCUBICCHBBBWMK-UHFFFAOYSA-N 292.382 3.849 30 20 CHED N#Cc1c(F)cccc1COc1ccc2ncccc2c1 427540027 LKAQBBOBWKZZRK-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccnc(SCC)c1 427889037 ZJRUIEYJRVBFEV-STQMWFEESA-N 264.438 3.884 30 20 CHED C=C(C)CNC(=O)C1(c2ccccc2C)CCCCC1 428113788 YJOMQLWDGZFUPG-UHFFFAOYSA-N 271.404 3.889 30 20 CHED Cc1nc(N[C@@H](C)c2cncs2)c(Cl)cc1C#N 436634343 KCHPJPCBSHJEKJ-QMMMGPOBSA-N 278.768 3.545 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CCCCC1(C)C 437476893 PECLZSXGLRPHLO-ZOBUZTSGSA-N 293.451 3.690 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1ccc(F)c(C)c1 437882315 HTFSOYGVJBAPSS-DYVFJYSZSA-N 293.382 3.540 30 20 CHED C=CCN(C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CC1 438342726 YRLVVTLIAHVEPP-LSDHHAIUSA-N 290.794 3.556 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H](CC(F)(F)F)c2ccccc2)C1 442714496 LQKKXZKLOIRKDO-MRVWCRGKSA-N 282.309 3.962 30 20 CHED Cc1cc(CNCCCOc2ccccc2C)ccc1C#N 443986310 VXGJBRUJSNXRJX-UHFFFAOYSA-N 294.398 3.734 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1NCCCCC(C)(C)C#N 444697466 KNWSXSLFGAVPGM-CABCVRRESA-N 280.456 3.890 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Br)cc1C 448571500 FYEKQHDMBDVSIA-UHFFFAOYSA-N 282.181 3.908 30 20 CHED C=CCCCC[C@@H](C)NC1CCN(C2CCC2)CC1 449099471 TXNAJJWWIBLYSF-OAHLLOKOSA-N 264.457 3.728 30 20 CHED N#C[C@H]1CC[C@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 449353141 YLULOCITTDLVGP-KNHMANMVSA-N 276.330 3.624 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1CCCCC#N 451969003 JZKOAXCIBCHNOY-MRXNPFEDSA-N 260.356 3.965 30 20 CHED C[C@@H]1C[C@H](CNc2ccc(CC#N)cc2Cl)CCO1 453140165 XPNKFZROZPOBDI-DGCLKSJQSA-N 278.783 3.633 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nc([C@@H](C)c2ccccc2C)no1 453153390 CQUCGJJDZJMINL-CFVMTHIKSA-N 284.359 3.588 30 20 CHED C=CCC1(c2nc(-c3cccc([N+](=O)[O-])c3C)no2)CCC1 453265835 WVWNVCSCVVANFL-UHFFFAOYSA-N 299.330 3.951 30 20 CHED C=CCC[C@H](NCc1nn(C)cc1Cl)c1ccccc1 453310969 BDLAPINUBUZSHV-HNNXBMFYSA-N 289.810 3.871 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1c(F)cccc1F 454803739 ISXDFFSLSSZLGP-LBPRGKRZSA-N 296.361 3.851 30 20 CHED CC#CCSc1cc(Br)ccc1OC 463078585 RBLHHDFUPWZDPI-UHFFFAOYSA-N 271.179 3.573 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1ccc(C(C)(C)C)c(Cl)c1 464399270 YRHRQAFFZLHLNX-AWEZNQCLSA-N 292.810 3.915 30 20 CHED C=C[C@@H](C)NC(=O)N(C)Cc1c(Cl)cccc1Cl 464763056 ZFXZSNSZBQFRKE-SECBINFHSA-N 287.190 3.709 30 20 CHED C=C[C@@H](C)NC(=O)CSc1ccc2ccccc2c1 465114126 ZVIPVVWMPHYVNZ-GFCCVEGCSA-N 271.385 3.623 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC)cc1OCCC 466539052 KFKUQCVEJOOFGS-CYBMUJFWSA-N 291.391 3.569 30 20 CHED C=CCCN(C)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 466635109 MFFMFHWVDLCFAO-CQSZACIVSA-N 289.419 3.786 30 20 CHED Cc1ccc([C@H](C)NCCc2cccc(C#N)c2)s1 467452331 FIPVBAAHGSFSOP-ZDUSSCGKSA-N 270.401 3.822 30 20 CHED CC(C)CCN(CCC(C)C)C(=O)CC(C)(C)C#N 468105775 FEYWQFWQEDFTRX-UHFFFAOYSA-N 266.429 3.847 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](CC)SC 470641056 HXJDIJMOWINTFH-OAHLLOKOSA-N 277.433 3.733 30 20 CHED C=CCCCCNC(=O)[C@@H](CC)Oc1ccccc1Cl 471708838 HXBVILYXVUWSMX-CQSZACIVSA-N 295.810 3.970 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](C)CSc1ccc(C)cc1 472877607 QPDIPBZKTRCXBP-KBPBESRZSA-N 292.448 3.739 30 20 CHED C=CCCCCNC(=O)Nc1ccc(OCC)cc1 473499025 RDKVSTHZQJIJJR-UHFFFAOYSA-N 262.353 3.563 30 20 CHED C=CCOCCCSc1n[nH]c(CCC2CCCC2)n1 475987414 MDOGURAAOKNBMZ-UHFFFAOYSA-N 295.452 3.612 30 20 CHED C=CCC1(C(=O)NCCc2ccc(CC)cc2)CCC1 480020609 VGJHKZZDRGTMPB-UHFFFAOYSA-N 271.404 3.654 30 20 CHED CC[C@H](C)CN(C)Cc1ccc(Cl)cc1C#N 480553039 INCYDGGHUJXXAC-NSHDSACASA-N 250.773 3.690 30 20 CHED Cc1cc(/C=C/c2nc3ccccc3n2CC#N)ccc1C#N 485971851 CGVKBZOEKIWHQN-VQHVLOKHSA-N 298.349 3.910 30 20 CHED Cc1ccc([C@@H]2CCCN2c2ccc(C#N)c(C)n2)cc1 487925482 XFLXPOQHMBYTRO-KRWDZBQOSA-N 277.371 3.912 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@H](C)C1)c1ccccc1 489735986 AFIYCSWFKKRFPT-DOTOQJQBSA-N 271.404 3.995 30 20 CHED C=C(CC)CN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 496408556 ZPNGFJIXURMHLQ-AWEZNQCLSA-N 288.391 3.602 30 20 CHED C=CCCCCNC(=O)c1ccc(OC(F)F)c(F)c1 500765203 XIFVTMRQDPTELC-UHFFFAOYSA-N 287.281 3.513 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H](c3ccccc3F)C2)n1 501253233 VGWMGGQWEYRYGZ-CQSZACIVSA-N 295.361 3.703 30 20 CHED C=CCCCCNC(=O)N(C)C1CCC(F)(F)CC1 502174040 LDCKRVLMQFBXKT-UHFFFAOYSA-N 274.355 3.562 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CC[C@](C)(CC)C1 509009343 ASVVGSKZYAKQQB-CJNGLKHVSA-N 276.428 3.604 30 20 CHED CN(Cc1cccc2ccccc12)C(=O)NCC(C)(C)C#N 512918087 NJCATZKGYJNHBQ-UHFFFAOYSA-N 295.386 3.531 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccccc1OC1CC1 513664202 RRQKDIMDQWZTEW-UHFFFAOYSA-N 292.338 3.660 30 20 CHED C=CCN(CC=C)C(=O)NCCc1ccc(C(C)C)cc1 514564590 NFESBXQIUGVIDD-UHFFFAOYSA-N 286.419 3.736 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc(C2CC2)nc2ccccc12 524023436 SVEVLUTTWHSOPL-CYBMUJFWSA-N 293.370 3.534 30 20 CHED C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)[C@@H]1C1CC1 528916824 WUGLQBOEVMSDOD-RQXAQYCVSA-N 290.366 3.703 30 20 CHED N#Cc1cccc(N2CCC[C@@H]2CCc2ccccc2)n1 531385247 QBXFMXDAKBQQIU-QGZVFWFLSA-N 277.371 3.555 30 20 CHED CCN(Cc1cccc(Cl)c1)C(=O)C1(C#N)CC(C)C1 532074498 LXMCPTFIACVKGI-UHFFFAOYSA-N 290.794 3.628 30 20 CHED C=C(C)COCCNC1CCC(c2ccc(O)cc2)CC1 538420889 XUOCEJMRDIKNOB-UHFFFAOYSA-N 289.419 3.601 30 20 CHED C=CCN[C@@H](COc1ccccc1)c1ccccc1 539316631 BODFWHGBDMVIAM-KRWDZBQOSA-N 253.345 3.582 30 20 CHED C=CCN(C(=O)N[C@H]1c2ccccc2CC[C@H]1C)C1CC1 540921561 YYRBNQYHMLTKRT-CXAGYDPISA-N 284.403 3.670 30 20 CHED CC(C)(C)c1ccc(CC(=O)N2CCC(CC#N)CC2)cc1 541050389 OBWIFHMSPXIFEH-UHFFFAOYSA-N 298.430 3.679 30 20 CHED COCc1ccccc1/C=C(/C)CN1CCC(CC#N)CC1 552013045 QAPSRWGSWVOMER-SSZFMOIBSA-N 298.430 3.862 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(-c2ccncc2)cc1 552923027 FAXZDNNINGADAJ-INIZCTEOSA-N 296.414 3.992 30 20 CHED C=C(C)CCN1CCOc2ccc(Br)cc2C1 555129508 MCOQQUVNVAMDDB-UHFFFAOYSA-N 296.208 3.610 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCC12CCCC2 556178912 PCDNTMHWDDSMMB-OAGGEKHMSA-N 263.425 3.670 30 20 CHED C=CC[C@H](C)N[C@H](COC)c1cccc(Cl)c1F 558260076 XGDXXLFELVELFM-GXFFZTMASA-N 271.763 3.721 30 20 CHED Cc1cc(C#N)cnc1-c1nc([C@H]2CCC[C@H](C)C2)no1 559943972 CSYPVCPMNAYUGR-GWCFXTLKSA-N 282.347 3.605 30 20 CHED C=CCCc1noc(CCc2cc3ccccc3o2)n1 563598743 KFXXHAFYNIKCLX-UHFFFAOYSA-N 268.316 3.720 30 20 CHED CC1(C)C[C@H](Sc2cccc(F)c2C#N)CCO1 565240804 FUUKPCKIYAFRTO-SNVBAGLBSA-N 265.353 3.747 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(Cl)cc2cccnc12 567018767 KQKYXRROPPOEJY-OAHLLOKOSA-N 287.750 3.767 30 20 CHED C=CCCCCCNc1cccc(C(=O)NC)c1C 569067942 MCVVUKREUKFGJD-UHFFFAOYSA-N 260.381 3.513 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2cccc(F)c2o1 571942971 LKDBFNZNMMCZIV-GMXVVIOVSA-N 272.323 3.915 30 20 CHED C=CCCC1(c2nc(-c3cccnc3OC(C)C)no2)CC1 574485289 MNGWFYHVQPDJCK-UHFFFAOYSA-N 299.374 3.917 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 578444227 OFCKBFHOYRYZGF-WFASDCNBSA-N 288.778 3.616 30 20 CHED N#CCCC1CCN(Cc2ccc3occc3c2)CC1 579355629 PDLKRCQJRZQSFA-UHFFFAOYSA-N 268.360 3.949 30 20 CHED Cc1cc(NC(=O)NCC2(C#N)CCC2)ccc1C1CC1 584102015 DVLGCYRWLNJMEX-UHFFFAOYSA-N 283.375 3.688 30 20 CHED CCCCC[C@H]1CCCN1c1cc(C#N)cc(C)n1 588001901 ATEZWRFFGDDVSJ-HNNXBMFYSA-N 257.381 3.811 30 20 CHED COc1ccc(/C=C\C(=O)c2ccccc2C#N)cc1F 588618329 NHFSEHKDUGFGJE-VURMDHGXSA-N 281.286 3.602 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCCCCC#N 591103473 ASUWHTCWVTXUFB-KRWDZBQOSA-N 284.403 3.764 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cccc3ccsc23)C1 593642954 SSPIEBWBFVXHSU-RISCZKNCSA-N 256.374 3.683 30 20 CHED CC[C@@H](C#N)C(=O)NCc1ccc(C2CCCCC2)cc1 593725550 PMLPIJRXJHQPBS-HNNXBMFYSA-N 284.403 3.900 30 20 CHED N#Cc1cc(Cl)ccc1Cn1cc(C2CCC2)cn1 594495349 VLRWKIJYXQLJNF-UHFFFAOYSA-N 271.751 3.724 30 20 CHED C=CCCSCCNCc1cc(C)sc1C 594959696 ACLMWDSLIQZJOK-UHFFFAOYSA-N 255.452 3.764 30 20 CHED CC[C@@H](Cc1ccccc1)NCCc1ccc(C#N)cc1 595060224 KRXNVJHEEXZHGE-IBGZPJMESA-N 278.399 3.712 30 20 CHED C[C@H](C#N)N(Cc1cc(Cl)cc(Cl)c1)C1CC1 595710701 UTFYQSOZRLSCNF-SECBINFHSA-N 269.175 3.870 30 20 CHED CCN(Cc1cc(-c2ccccc2Cl)on1)[C@@H](C)C#N 595821216 ZVKNSXYMGZDRGN-NSHDSACASA-N 289.766 3.729 30 20 CHED CCN(CC(C)(C)C)c1nc(C#N)c(Cl)s1 596240371 XPOFSWROTVPKRW-UHFFFAOYSA-N 257.790 3.541 30 20 CHED C=CCCSCCNc1c(F)cc(C#N)cc1F 596413817 XNTZDBQMKUKUPR-UHFFFAOYSA-N 268.332 3.558 30 20 CHED Cc1ccc(-c2cc(CN(C)C)ccc2F)cc1CC#N 596640426 IXFAYLMMNCRXMA-UHFFFAOYSA-N 282.362 3.929 30 20 CHED CC1CC(CN[C@@H]2CCCc3cc(C#N)ccc32)C1 598679312 FUAUDGGVFFDUSU-MKTAYPAQSA-N 254.377 3.571 30 20 CHED N#Cc1cc(F)cc(NCc2ccccc2OC(F)F)c1 600856408 MDNFOFQOPZWBLS-UHFFFAOYSA-N 292.260 3.911 30 20 CHED N#C[C@H](Sc1nc2cc(Cl)ccc2o1)C1CC1 601070393 QXYAPYUGBSUPGF-NSHDSACASA-N 264.737 3.875 30 20 CHED N#Cc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 601932972 VXDRNBDQHBFGNL-UHFFFAOYSA-N 277.249 3.640 30 20 CHED Cc1ccccc1[C@H]1CCCN1Cc1cccc(C#N)n1 602440520 QFNOLOKRDDQGAO-GOSISDBHSA-N 277.371 3.599 30 20 CHED CC(C)[C@@H](CNC[C@H](C)CCC#N)c1ccccc1 602510804 OKWZZFPMPMQSCW-NVXWUHKLSA-N 258.409 3.956 30 20 CHED COCc1cc(C#N)ccc1N[C@H]1CCCC(F)(F)C1 603314222 QNPOXHZRVYJLCH-ZDUSSCGKSA-N 280.318 3.694 30 20 CHED N#Cc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1 609234371 QPPUPORANRPHNR-LJQANCHMSA-N 292.382 3.522 30 20 CHED C[C@@H](NC(=O)Nc1ccccc1F)c1cccc(C#N)c1 610317144 SQIUNXVJOSYNDL-LLVKDONJSA-N 283.306 3.580 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)NCCCC2CCCCC2)C1 612109450 KSOOMZBSDLNTBM-KRWDZBQOSA-N 291.439 3.682 30 20 CHED C=C[C@@H](CC(=O)NCC[C@@H](C)CC)c1ccccc1 617638264 KCWXFDZRRYJHKH-GJZGRUSLSA-N 259.393 3.899 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](CCC)c2ccccn2)C1 617780559 XEMJTKRSFVKPMQ-HOTGVXAUSA-N 286.419 3.780 30 20 CHED Cc1ccc(-c2noc(/C=C/c3ccccc3C#N)n2)o1 618406644 MIVITUKBUMSBJL-VQHVLOKHSA-N 277.283 3.680 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](CC)CC[C@H]1C 619134547 XFDKMGGKEOXVKF-HZPDHXFCSA-N 281.440 3.787 30 20 CHED COc1cc(CN(C2CCCCC2)C2CC2)ccc1C#N 619674176 ANTKXRZWKODVTO-UHFFFAOYSA-N 284.403 3.864 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2c(c1)CCCC2=O 620856366 VKLIFZOFTOKDDG-UHFFFAOYSA-N 285.387 3.680 30 20 CHED C=CCC1(NCc2nc([C@H](C)OCC)no2)CCCCC1 625936511 OPJOLMFVADJEES-ZDUSSCGKSA-N 293.411 3.536 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@H](c2ccccc2)C1 647072531 NHKURTHEBSWQIG-FUHWJXTLSA-N 271.404 3.995 30 20 CHED C=CCC[C@@H](NCc1cc(OC)ns1)c1ccccc1 660199422 IBZLAHROVCHSFY-OAHLLOKOSA-N 288.416 3.949 30 20 CHED C=CCN(Cc1csc(CCCC)n1)[C@@H](C)COC 661244563 VEYXQFUMSKVOCH-ZDUSSCGKSA-N 282.453 3.509 30 20 CHED C=CC[C@@H]1CCCN(CC(=O)Nc2cccc(C)c2C)C1 661378475 HGMSJQHJHLVGNK-MRXNPFEDSA-N 286.419 3.530 30 20 CHED C=CC[C@@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 661378587 JNHSQXLELIAZBA-CQSZACIVSA-N 283.375 3.525 30 20 CHED Cc1cc(C)c(C(=O)[C@H](C#N)c2ccc3ccccc3n2)o1 674300098 ZATMCKOAPIXVPT-CQSZACIVSA-N 290.322 3.935 30 20 CHED C=CCC[C@H](N[C@@H]1CCOc2cc(OC)ccc21)C1CC1 676639516 LXXFYWIXNSGUPK-DLBZAZTESA-N 287.403 3.853 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCc2cc(OC)ccc2C1 680333418 AFJGTBIWLMIFMO-JJRVBVJISA-N 273.420 3.743 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1nccs1 683564694 KYYQBLVFFULQRJ-UHFFFAOYSA-N 298.820 3.686 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2cccc(C)c2s1 685436127 ZQHQRZKMCZYYQO-NSHDSACASA-N 259.374 3.904 30 20 CHED N#Cc1ccc(NCc2cccc(C(F)F)c2)cn1 690481602 OUKGORGMRMBMMH-UHFFFAOYSA-N 259.259 3.503 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc(C#N)cc1 695813607 VFYAPXNWXSYETG-CHWSQXEVSA-N 255.365 3.537 30 20 CHED C#CCCOC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 727042087 OXHZPUIHSVEYEG-LLVKDONJSA-N 284.277 3.766 30 20 CHED C#Cc1cccc(NC(=S)NN=C2CCC[C@@H](C)C2)c1 727260419 WFJHWGAOUFSFFL-GFCCVEGCSA-N 285.416 3.520 30 20 CHED CCC(C=NNC(=S)Nc1ccc(OC)c(F)c1)CC 727261916 OYCPHYMZSPIPTO-UHFFFAOYSA-N 297.399 3.543 30 20 CHED C=CCN(C(=O)N[C@@H](CC)Cc1ccccc1)C(C)C 727943425 DKOJCMWRQLKYSU-INIZCTEOSA-N 274.408 3.614 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)cc1 728231256 KNHPUDICVYMBML-CLFYSBASSA-N 252.313 3.905 30 20 CHED Clc1ccc(C=NNCCCOc2ccccc2)s1 729147456 CGLBSTXTLMJMGC-UHFFFAOYSA-N 294.807 3.794 30 20 CHED C[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O 729641824 YTQZSEDSSYUMPQ-ZCZHDGFVSA-N 282.727 3.561 30 20 CHED C=CCCCOC(=O)c1c(C)nn(-c2ccccc2)c1C 735529023 TUCFGALVZZHMGH-UHFFFAOYSA-N 284.359 3.612 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1cc(C)[nH]n1 738479304 FRTQKGPXLBGLBF-UHFFFAOYSA-N 294.443 3.610 30 20 CHED Fc1ccc(NN=Cc2ccc3ccccc3n2)c(F)c1 741451830 WRKBIEJEYGIPJQ-UHFFFAOYSA-N 283.281 3.959 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(OC)cc2C)c1 741921324 VSVMAPNFNWXLEP-UHFFFAOYSA-N 293.366 3.652 30 20 CHED C/C(=C\c1ccccc1)CNCc1cc(C#N)ccc1F 742382858 GTUYBPNZDRRJSK-NTEUORMPSA-N 280.346 3.890 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2ccc(CC)cc2)o1 742689699 NVKBLIYTHOZPJB-UHFFFAOYSA-N 289.762 3.991 30 20 CHED CCC(C)(C)CCOC(=O)[C@H](C)Oc1ccc(C#N)cc1 744341896 FNPFEOVDTQCYIJ-ZDUSSCGKSA-N 289.375 3.695 30 20 CHED CC#CCOC(=O)C1(c2cccs2)CCCCC1 745067689 UDPGJHPODDAYHH-UHFFFAOYSA-N 262.374 3.517 30 20 CHED CCN(CC#N)C(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2 746516821 CJNMVNUFWHUJPD-AWNIVKPZSA-N 286.419 3.521 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1cccc([N+](=O)[O-])c1 747744526 OTFINWIMMXECOA-ZDUSSCGKSA-N 261.325 3.819 30 20 CHED C=CCCCC(=O)OCCOc1ccccc1Cl 748227415 ROHVOQJCKMYXLA-UHFFFAOYSA-N 268.740 3.618 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(C#N)s1 748789573 VAHIUPYKESEMQK-LBPRGKRZSA-N 263.410 3.902 30 20 CHED CC(=NNC(=S)N[C@H]1CCCC[C@@H]1C)c1ccsc1 749098714 GVDOPDNBFNCWTA-GWCFXTLKSA-N 295.477 3.515 30 20 CHED COc1sc(C=NOCC(C)C)cc1Br 749636493 MGELUNMFDGNYMR-UHFFFAOYSA-N 292.198 3.526 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)[nH]1 751512365 IKIKQSJBQKHWOF-PKNBQFBNSA-N 297.354 3.821 30 20 CHED C#CC(=O)Nc1nc(-c2ccc(CCC)cc2)c(C)s1 753901607 JFTSGNOWOVVABU-UHFFFAOYSA-N 284.384 3.643 30 20 CHED CCCC=NNc1c(F)cc(F)cc1Br 755742618 CIMQVQVVSCXXPN-UHFFFAOYSA-N 277.112 3.925 30 20 CHED Cc1cc(Cl)cc(C)c1C=NO[C@@H]1CCCCO1 756895284 KSNUTMFZBNFZER-CQSZACIVSA-N 267.756 3.834 30 20 CHED C#CCCCCNCc1ccccc1OCc1ccncc1 758496504 DMXPQHLFVRGOMA-UHFFFAOYSA-N 294.398 3.554 30 20 CHED FC(F)CON=Cc1ccc(Cl)c(C(F)(F)F)c1 758904958 XEVSYVGJTORRRY-UHFFFAOYSA-N 287.615 3.974 30 20 CHED C#CCCCC(=O)OCc1csc(-c2cccs2)n1 759176305 ONKLAFBKYCJGFL-UHFFFAOYSA-N 291.397 3.718 30 20 CHED C[C@H]1CC[C@@H](CC(=O)OCc2cc(C#N)ccc2F)C1 759417461 DMGSLKRRGUKPOV-NWDGAFQWSA-N 275.323 3.567 30 20 CHED C#CCCc1noc(-c2ccc(N(C)CCCC)cc2)n1 762028386 SMUKBSPAJPIYTI-UHFFFAOYSA-N 283.375 3.539 30 20 CHED C[C@H](C(=O)OC1(C#N)CCC1)c1ccc2ccccc2c1 762092128 MJEFQTFMALDAQY-ZDUSSCGKSA-N 279.339 3.933 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C)CCSCC)cc1 766344363 SNICZAIBNFVXOF-HUUCEWRRSA-N 291.460 3.881 30 20 CHED C#CCC(C)(C)C(=O)Oc1cc(Cl)ccc1Cl 767046841 YTNNUSUTWHDWHI-UHFFFAOYSA-N 271.143 3.948 30 20 CHED CON=Cc1cn(-c2ccccc2)nc1-c1cccs1 767477469 DMNGKHUCTODYAH-UHFFFAOYSA-N 283.356 3.581 30 20 CHED Fc1ccc(C=NN=c2cc[nH]c3ccccc23)c(Cl)c1 767782625 QGMALKSRACDSOQ-UHFFFAOYSA-N 299.736 3.895 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1cccnn1)CCCO2 767785971 UKTNDKMSWDAKLM-UHFFFAOYSA-N 296.374 3.589 30 20 CHED C=CCN(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 767906710 WEWWTBBVEZVVRR-IBGZPJMESA-N 281.399 3.717 30 20 CHED Cc1cc(C=NNc2cc(C#N)cc(Cl)n2)ccc1F 768376622 UIOVGQWBIOJSPL-UHFFFAOYSA-N 288.713 3.500 30 20 CHED CCCOc1ccc(NCCOc2ccc(C#N)cc2)cc1 768394589 IUBZDCDTUATJBX-UHFFFAOYSA-N 296.370 3.838 30 20 CHED CC(C)c1ocnc1C(=O)OCCCCC(C)(C)C#N 768699386 VLMFGMQWYBGXKV-UHFFFAOYSA-N 278.352 3.675 30 20 CHED CCC(=O)c1ccc(C(=O)Oc2ccc(C#N)cc2F)cc1 769739911 LQWOVJBGUXPTAU-UHFFFAOYSA-N 297.285 3.509 30 20 CHED Cc1cccc(F)c1NN=Cc1ccc(N2CCCC2)nc1 769839699 FWMPJTXIQFMKOP-UHFFFAOYSA-N 298.365 3.575 30 20 CHED C=CCCCCNC(=O)Nc1ccc(N(C)C)c(Cl)c1 771145328 NDGLMGLKRHMGDK-UHFFFAOYSA-N 295.814 3.884 30 20 CHED CC/C=C(/C)C(=O)N(CC)c1ccc(C#N)c(Cl)c1 774149031 KVIHVUJMVPIQNV-WDZFZDKYSA-N 276.767 3.921 30 20 CHED CC(C)C[C@@H](C)CC(=O)OCc1cccc(C#N)c1F 774944139 MXHCYMLTWHGXFI-GFCCVEGCSA-N 277.339 3.813 30 20 CHED CCCCCCCCN[C@@H](CC)c1nccn1C 775399315 BLOFFJIPTCMZFL-AWEZNQCLSA-N 251.418 3.821 30 20 CHED C[C@H]1CCc2c(C(=O)OCCC(C)(C)C#N)csc2C1 776356808 YIPXLKMREMUKBO-NSHDSACASA-N 291.416 3.970 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(C#N)c(F)c1 776726997 RBJFROPAZGYCCG-KTKRTIGZSA-N 295.313 3.992 30 20 CHED c1ccc2oc(CON=C3CCCOCC3)cc2c1 778600709 MUVMIEVAKMRVRC-UHFFFAOYSA-N 259.305 3.506 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1ccc([N+](=O)[O-])cn1 779772439 HTBQWCAMKGURHV-LLVKDONJSA-N 278.356 3.850 30 20 CHED O=C1/C(=C/C=C\c2ccccc2)Cc2cc(O)ccc21 780186991 BHFKSIVTRPHVFE-JCXIYKEOSA-N 262.308 3.771 30 20 CHED N#CC1(COC(=O)[C@@H]2C[C@]23CCc2ccccc23)CCCC1 780530464 ZWWVPALCQHXMCX-LPHOPBHVSA-N 295.382 3.518 30 20 CHED CCC(=NNc1ccc(F)cn1)c1cccc(F)c1 783516559 KNUYCHIRHREVPE-UHFFFAOYSA-N 261.275 3.586 30 20 CHED C[C@]1(C#N)CCCN(Cc2c(O)ccc3ccccc23)C1 784010846 BHUDUZPNZJSJDY-GOSISDBHSA-N 280.371 3.671 30 20 CHED CC(=NNC1CCCCC1)c1csc(C(C)C)n1 786043709 SWCMVVKFNOULDE-UHFFFAOYSA-N 265.426 3.913 30 20 CHED CC[C@H](C#N)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786455195 CUDMHOKVQAORKE-NWDGAFQWSA-N 270.332 3.507 30 20 CHED CCCCCC[C@@H](CC)C(=O)Nc1n[nH]c(C)c1C#N 788175000 FJCVXBTTYPWIQQ-GFCCVEGCSA-N 276.384 3.525 30 20 CHED Clc1ccc(-c2ncc(C=NNC3CC3)s2)cc1 789037720 PQDWTJBJKAJPGC-UHFFFAOYSA-N 277.780 3.549 30 20 CHED CCCc1ccc(C(C)=NNCCc2ccccn2)cc1 789097393 PDNAZHUTBKZRNH-UHFFFAOYSA-N 281.403 3.590 30 20 CHED CCc1cccc2c(/C=C\C(=O)c3cc(C)nn3C)c[nH]c12 789159919 RGYGHHJPIYMOBG-HJWRWDBZSA-N 293.370 3.668 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 791205657 VFDORPLKKMJARX-LZQZEXGQSA-N 291.394 3.861 30 20 CHED CC(C)c1ccoc1C(=O)OCc1cccc(C#N)c1F 792617091 FBAPORUCDJCYKC-UHFFFAOYSA-N 287.290 3.771 30 20 CHED C#CCCOC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 792810693 JRSGNZGURVPEFS-HNNXBMFYSA-N 294.350 3.687 30 20 CHED Cn1cc2c(n1)CC/C(=C/c1cccc3ccccc13)C2=O 794962794 XPKYFQQPMVQLST-PTNGSMBKSA-N 288.350 3.786 30 20 CHED Fc1cccnc1NN=Cc1ccc(Cl)c(Cl)c1 794993739 PSTIFVHYCSTROS-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CC[C@H](C)CCC(=O)O[C@@H](C)c1ccc(C#N)cc1 797098891 GWNCUEBNPJNHPY-STQMWFEESA-N 259.349 3.989 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C[C@@H]2C=CCC2)s1 797571380 OFCOTHWUALOOOA-NEPJUHHUSA-N 288.416 3.973 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(C)(C)C1CCCCC1 798038002 RPOFFHPOOQZORY-GOEBONIOSA-N 293.451 3.690 30 20 CHED C=CC[C@H](CC)NC(=S)Nc1ccccc1CC 798375101 DWSYFZGWBRDLDC-ZDUSSCGKSA-N 262.422 3.890 30 20 CHED COc1ccccc1CON=C(C)c1ccc(C#N)cc1 799120154 UZZMRJJVCUTGAK-UHFFFAOYSA-N 280.327 3.508 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(C#N)c2)oc1C 799898269 XHKUHSWCGMWBGN-SREVYHEPSA-N 251.285 3.664 30 20 CHED N#CC1(CCCOC(=O)C2CCCCCC2)CCOCC1 800158662 RLGYVSCZFPSNSA-UHFFFAOYSA-N 293.407 3.601 30 20 CHED CC1(C)CC(COC(=O)c2cc3ccccc3n2CC#N)C1 802291452 FJUQVQDIPIXGHE-UHFFFAOYSA-N 296.370 3.758 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C=C2CCCC2)c1 803315358 BYPHUOCRHXHWHK-UHFFFAOYSA-N 281.359 3.571 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1ccc(C)c(C)c1 804836062 RYSOXMAUKFCQCI-UHFFFAOYSA-N 277.367 3.579 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1cnn(-c2ccccc2)c1 806177692 GVZHVJIKTSHORY-HNNXBMFYSA-N 296.418 3.853 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc2ccn(CCC)c2c1 806289477 BHUMMOIYJUOJQB-CQSZACIVSA-N 283.375 3.585 30 20 CHED c1ccc(C(C[C@H]2CCOC2)=NNCC2CCCC2)cc1 808005810 KFWVAZLKUXHZOW-MRXNPFEDSA-N 286.419 3.597 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C=C(\C)C(C)(C)C)cc1 809259457 SPFLTYNUOJHCRC-BYIUCRAPSA-N 284.403 3.922 30 20 CHED C#CC[C@@H](NCc1ccc(C#C)cc1)c1ccccc1 809425770 UECILCGXFYNRJO-LJQANCHMSA-N 259.352 3.522 30 20 CHED Cc1cc(-c2noc(-c3ccc(C)c(C#N)c3)n2)ccc1O 809471811 NDAQSAPHOMPNKI-UHFFFAOYSA-N 291.310 3.598 30 20 CHED Cc1ccccc1-n1c(C)cc(C(=O)OC(C)(C)C#N)c1C 809490457 SXSCTELOLIDGTP-UHFFFAOYSA-N 296.370 3.862 30 20 CHED C[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)C 810255227 XSNXZLIHMOEJIN-SNVBAGLBSA-N 277.343 3.501 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccnc(Cl)c1C 810288025 ZFFJIEPIDDQKGQ-SNVBAGLBSA-N 281.787 3.910 30 20 CHED C[C@H](OC(=O)c1ccc2c(c1)CCCCC2=O)C(C)(C)C#N 810639747 HTUVVBSEEJGADG-LBPRGKRZSA-N 299.370 3.691 30 20 CHED C=CCCCCCCCNC(=O)N[C@@H](C)C1CCOCC1 811895518 SSHRRJUWLGWPAE-HNNXBMFYSA-N 296.455 3.627 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1ccco1)c1ccc(Cl)cc1 811948128 YOYVIOIMWJDAPV-BXUZGUMPSA-N 287.746 3.527 30 20 CHED Cn1cc(C=NOC2CCC2)c(-c2cc3ccccc3o2)n1 812238250 PPJURMVHFCNJST-UHFFFAOYSA-N 295.342 3.736 30 20 CHED COc1ccccc1C(C)=NNc1ccccc1F 812458743 JSIFCGSATSGJAU-UHFFFAOYSA-N 258.296 3.670 30 20 CHED FC(F)Sc1ccc(C=NOCC2CC2)cc1 814242117 UCPFAEQSNVUBOR-UHFFFAOYSA-N 257.305 3.762 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccccc1F 814789412 GQADMEZVUXHCKD-NSHDSACASA-N 259.328 3.943 30 20 CHED CCCC(=NNc1cccc([N+](=O)[O-])c1C)c1cccnc1 814834709 SQSNWPVCUKLDCO-UHFFFAOYSA-N 298.346 3.915 30 20 CHED CC(CC1(C(=O)O)CCC1)=NNc1ccc(F)cc1C 814885151 OXDXVMNZDYXYJB-UHFFFAOYSA-N 278.327 3.567 30 20 CHED CCC(=NOCc1ccc(F)cc1)c1ccc(F)cn1 814903381 GXVHCYRWTKHTDL-UHFFFAOYSA-N 276.286 3.691 30 20 CHED C=CCC(F)(F)C(=O)N1CCCCc2cc(OC)ccc21 815893036 NVHSIWHVBKUASU-UHFFFAOYSA-N 295.329 3.576 30 20 CHED C=CCCC[C@@H](C)NC[C@@H](O)c1ccc(F)cc1Cl 819210203 ULIPAARZTWNDIZ-IAQYHMDHSA-N 285.790 3.847 30 20 CHED CCCCOc1ccc(C=NN[C@H](C)c2ccncc2)cc1 819816058 WRIRAARKYVGZQP-OAHLLOKOSA-N 297.402 3.945 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H](C#N)Cc1cccs1 820447090 UNQQFEJSMWYHDD-GFCCVEGCSA-N 277.389 3.576 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@@H](C2CCCC2)C1 823091414 LJGPRVNBQLNUKX-MRXNPFEDSA-N 282.387 3.519 30 20 CHED C=CCCCC(=O)OCc1ccc2oc(C(=O)O)cc2c1 825671195 FJRGCYUVIQJLIO-UHFFFAOYSA-N 288.299 3.531 30 20 CHED C#CCCc1noc([C@H]2CCC[C@@H]2c2ccccc2)n1 834585234 KJNYNBVVOXTVOC-CABCVRRESA-N 266.344 3.687 30 20 CHED CCCCOc1ccccc1C=NN[C@@H](C)C(F)(F)F 834998251 RXRVQXZHYPLGPI-NSHDSACASA-N 288.313 3.740 30 20 CHED C=CCC1(C(=O)OCc2cccc(C#N)c2)CCCC1 835146351 FFUKDJGZDUGSJV-UHFFFAOYSA-N 269.344 3.738 30 20 CHED C=CC(C)(C)COC(=O)CCc1nc2ccccc2o1 835724132 HDFYLABWWLSJIB-UHFFFAOYSA-N 273.332 3.516 30 20 CHED CCCCCC[C@H](C)NC(=O)N(C)CC(C)(C)C#N 837324512 AEMGGCGPDHFCSD-ZDUSSCGKSA-N 267.417 3.536 30 20 CHED CC(C)(C)C#CC(=O)Nc1scnc1-c1ccccc1 837390837 LHROURIZPUCQEG-UHFFFAOYSA-N 284.384 3.798 30 20 CHED C[C@H]1C[C@@H](C(=O)OCCCC(C)(C)C#N)CC[C@H]1C 837822729 ANMNHNWPGNMKGR-RDBSUJKOSA-N 265.397 3.932 30 20 CHED C=C[C@H](CC(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 839053633 JWZXNVTUITZPRB-INMHGKMJSA-N 283.371 3.972 30 20 CHED COc1cccc(O)c1C=Nc1ccc([C@@H]2CCOC2)cc1 840707550 WOTUYAQQOPHJEW-CQSZACIVSA-N 297.354 3.655 30 20 CHED CCN(C)c1ccc(/C=C2\Cc3cccc(C)c3C2=O)cn1 841488751 ZCTSMDJNVXFLJD-MHWRWJLKSA-N 292.382 3.669 30 20 CHED N#CC1(COC(=O)C2CC3(CCC3)C2)CCCCC1 842756962 OXBISRSQPRKIPG-UHFFFAOYSA-N 261.365 3.584 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(CN)cc1 843344123 RLQYYYLUKACCAG-OAHLLOKOSA-N 260.425 3.760 30 20 CHED Cc1cccc(-c2cncc(OC(C)C)c2)c1C#N 844231665 UJXBINSYCGBSIA-UHFFFAOYSA-N 252.317 3.716 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1snc(Cl)c1Cl 846033000 IIXCSZMXFIFYMO-ZETCQYMHSA-N 291.203 3.631 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H](C)OC1CCCCCC1 851209926 QRVLYVFLBWOMTQ-ZIAGYGMSSA-N 295.423 3.986 30 20 CHED C[C@H](C#N)N(Cc1cc2ccccc2nc1Cl)C1CC1 852479124 CYVXHTKYJWKRLP-LLVKDONJSA-N 285.778 3.765 30 20 CHED C=CCN(Cc1cc(C)nc(Cl)c1)C(C)(C)C 852554878 XZZPCKBAMVUWAM-UHFFFAOYSA-N 252.789 3.830 30 20 CHED Cc1nocc1CSCCCOc1ccc(C#N)cc1 853764065 CFXXWKCFKVFPQO-UHFFFAOYSA-N 288.372 3.557 30 20 CHED C#CCCCCCc1nc(-c2cncc(Cl)c2)no1 854070374 MQCIFEPKYDCOEJ-UHFFFAOYSA-N 275.739 3.521 30 20 CHED CCN(C(=O)/C(C)=C/c1cccc(Cl)c1)[C@H](C)C#N 856076031 VJQBMDPHGJSIKB-JATZPVMKSA-N 276.767 3.504 30 20 CHED C=CCC(C)(C)CN[C@@H]1CCc2ccc(Cl)nc21 857913425 VFDKFEZYOFXEGE-GFCCVEGCSA-N 264.800 3.914 30 20 CHED CCC[C@H](OCC)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 860581906 PNBWWECNAZPQPB-AAEUAGOBSA-N 294.420 3.648 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 860870432 PLBOTIXGLPMRKL-QCQGSNGOSA-N 263.381 3.684 30 20 CHED C[C@@H](C=NNc1nc2ccccc2[nH]c1=S)CCC#N 863125178 OYCIFJWFONDREY-SNVBAGLBSA-N 285.376 3.630 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccc(C)o1 864028955 QAMSJGBAKLGBTQ-UHFFFAOYSA-N 262.740 3.755 30 20 CHED COc1ccc(NCc2csc(C3CC3)n2)cc1C#N 865296240 USMRTHGRVNIKSI-UHFFFAOYSA-N 285.372 3.513 30 20 CHED C=CCCCC(=O)N1CCc2ccc(C(F)(F)F)cc2C1 869671256 IPFBRUOLOLWMLQ-UHFFFAOYSA-N 297.320 3.946 30 20 CHED CC(CCc1cncc2ccccc12)=NOCC(F)F 872366822 JDENLPGKDNAAMH-UHFFFAOYSA-N 278.302 3.825 30 20 CHED C=C(C)[C@@H](CC(=O)N(CCCC)c1ccncc1)OCC 876290079 YGTAAFWVTNLVJB-MRXNPFEDSA-N 290.407 3.586 30 20 CHED C#CCCCCCCNc1cccc(N2CCOCC2)c1 876824984 UOUWSPXAFRDPAH-UHFFFAOYSA-N 286.419 3.519 30 20 CHED COc1ccc(N(C)C[C@H](C)CCC#N)cc1Cl 877181055 GUZNWPGSVLUCDE-LLVKDONJSA-N 266.772 3.725 30 20 CHED C#C[C@H](C)N(C)Cc1sccc1NC(=O)OC(C)(C)C 894060592 VWYAFFQQGOOAIA-NSHDSACASA-N 294.420 3.549 30 20 CHED C=C1CN(C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)C1 898696252 DHWNWCIWIIOWIU-LLVKDONJSA-N 283.293 3.597 30 20 CHED O=C(/C=C\c1cnn(C2CCC2)c1)C1CCCCC1 899345005 CVUDCHKCBNMNSZ-KTKRTIGZSA-N 258.365 3.771 30 20 CHED CO[C@@](C)(C=NNc1ccc(Cl)cc1F)C1CC1 901317690 MPVDCODLRFGSDD-ZDUSSCGKSA-N 270.735 3.692 30 20 CHED Cc1cccc2c(C(=O)N(O)Cc3ccc(F)cc3)coc12 901372416 YQRXSPMBGZZZDK-UHFFFAOYSA-N 299.301 3.912 30 20 CHED O=C(/C=C\c1ccccc1C1CC1)c1cc2n(n1)CCC2 901561984 YLQNLYWDXZVWAJ-KTKRTIGZSA-N 278.355 3.603 30 20 CHED CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cc(F)ccc1OC 903371438 SMRZNWUFHVOKGC-NOLJZWGESA-N 290.382 3.957 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1nc([C@H](C)SCC)no1 909526456 XYEYTQLZRLMRDN-QWRGUYRKSA-N 298.408 3.529 30 20 CHED CC(C)=CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 914516730 CQKGXPOBZQYSHE-UHFFFAOYSA-N 270.376 3.509 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2nc3ccccc3n2C)o1 915967153 DAPQLMCHMMBSLY-AAEUAGOBSA-N 294.358 3.736 30 20 CHED CCOc1cccc(C=Nc2ccc(N(C)C)cc2C)c1O 915979435 POFXCLZEFJDMLG-UHFFFAOYSA-N 298.386 3.916 30 20 CHED Cc1cc(O[C@H](C)C(=O)OCCCCC#N)ccc1Cl 919475263 WKLLLFWXWKSEQC-GFCCVEGCSA-N 295.766 3.653 30 20 CHED C=CCCOCC(=O)OCc1ccc(Cl)cc1Cl 920723192 KTAAHLKQBZULGO-UHFFFAOYSA-N 289.158 3.629 30 20 CHED C[C@@H](NC(=O)N1CCC[C@@H](C#N)C1)c1cccc(C2CC2)c1 922643753 BYNXZKFPJDZUJC-KGLIPLIRSA-N 297.402 3.570 30 20 CHED Cc1cccc2c1[C@@H](NCc1ccc(C#N)cc1F)CC2 924978836 IHFBGSDLVNAUOG-KRWDZBQOSA-N 280.346 3.783 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1O2 925602231 SJDXNLBMLGJPQM-IREHDKGXSA-N 284.403 3.577 30 20 CHED C=CCCOCCN[C@H](CCC)c1ncccc1Cl 925629520 NTVGKSLSGPANHA-CQSZACIVSA-N 282.815 3.759 30 20 CHED C#CC[C@H](N[C@@H](C)C1(Br)CC1)c1ccccc1 925634014 HRDUIKMAJQZTFW-JSGCOSHPSA-N 292.220 3.657 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1OCC(F)F 934788525 UACISMLNRDEPGW-LLVKDONJSA-N 283.318 3.871 30 20 CHED CC(C)NC(=S)NN=C1CCCC[C@H]1c1ccccc1 1115816832 JSBVAGRQPPMBOA-AWEZNQCLSA-N 289.448 3.573 30 20 CHED C[C@H](C(=O)OCCC(C)(C)C#N)c1ccc(F)cc1F 1116478658 PIDRVKMSUQIMID-JTQLQIEISA-N 281.302 3.551 30 20 CHED COCC[C@H](Nc1nc(C)cc(C)c1C#N)c1ccc(C)o1 1116500576 LJNSCIFYCLHCEZ-HNNXBMFYSA-N 299.374 3.661 30 20 CHED CCC(CC)(CC)C(=O)Nc1ccc(C#N)cc1C(C)=O 1129071014 HPKDQNMZTHZUKP-UHFFFAOYSA-N 286.375 3.916 30 20 CHED CC(C)c1scnc1C(=O)Nc1cc(C#N)ccc1F 1129715777 ORSLQDPLWRPOKN-UHFFFAOYSA-N 289.335 3.530 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@H](C#N)C2)cc1 1177388825 DFSRXZVDXUVAIR-DOTOQJQBSA-N 298.430 3.751 30 20 CHED Fc1cccc(NN=Cc2nc(-c3ccccc3)c[nH]2)c1 1251751554 FUUPTXYHXMTHNW-UHFFFAOYSA-N 280.306 3.662 30 20 CHED C[C@@H]1COc2ccccc2[C@H]1OC(=O)CCCCCC#N 1261137473 LQPSQYRBMIXFLT-DYVFJYSZSA-N 287.359 3.773 30 20 CHED C[C@H](C(=O)N(c1cccc(C#N)c1)C1CCC1)C(F)(F)F 1262101400 YNAVBIPNJHWFFE-SNVBAGLBSA-N 296.292 3.642 30 20 CHED Cc1cc(C)c(/C=C\CN[C@@H]2CC[C@H](C#N)C2)cc1C 1308444291 XGFDVOLISBZOGG-IMBPEULASA-N 268.404 3.907 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1cccnc1Cl 1320670504 WJCMHPZAIGSYTP-LLVKDONJSA-N 287.750 3.810 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(C)c(Cl)c1Cl 1320840045 WNPQNDYFIQJFEB-SECBINFHSA-N 285.174 3.787 30 20 CHED N#Cc1ccc(CNc2c(C#N)cccc2C#N)cc1Cl 1321224012 SLUAUVCKIOTBGK-UHFFFAOYSA-N 292.729 3.567 30 20 CHED Cc1coc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1C 1323394923 XLHOASWJGJVECQ-GOSISDBHSA-N 296.370 3.541 30 20 CHED Cc1cccnc1CSCc1cccc(C#N)c1 1323491500 IRHCSNJSIMQWQE-UHFFFAOYSA-N 254.358 3.695 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)C1CCN(C)CC1 1327798366 VHKZWIIGPKOSTP-UHFFFAOYSA-N 279.815 3.778 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(COCC)cc1 1333444701 KQXQQNGRCAEKCF-ZDUSSCGKSA-N 261.365 3.764 30 20 CHED C=C[C@@H](CC)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 1335035905 RAHUWQRPIQABQJ-LBPRGKRZSA-N 290.363 3.548 30 20 CHED Cn1c(Cl)cnc1CSCc1cccc(C#N)c1F 1337206459 RRWPEFIGGKHARF-UHFFFAOYSA-N 295.770 3.518 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)n(CC2CC2)c1C 1341815890 OFBJTAOTYMBTKJ-ZDUSSCGKSA-N 288.435 3.990 30 20 CHED C=CCCO[C@H](C)c1nnc(-c2cc3c(s2)CCC3)o1 1345737185 QXLVGPZEGAYFHQ-SNVBAGLBSA-N 290.388 3.941 30 20 CHED Cc1ccsc1-c1noc(-c2cccc(C#N)c2C)n1 1347341685 SNLPULZJGNURLO-UHFFFAOYSA-N 281.340 3.954 30 20 CHED C=C(C)CCC(=O)Nc1c(Cl)ccc(F)c1C(=O)OC 1354982692 ZSWCEODUQVOBKB-UHFFFAOYSA-N 299.729 3.561 30 20 CHED Cc1cc(C#N)cc(NC(=O)Cc2cc3ccccc3o2)c1 1460862860 MQZRDOGKPCFXOE-UHFFFAOYSA-N 290.322 3.794 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1C[C@@H](OC(C)C)C1(C)C 1462071408 PEUZCKKKQQIZNX-HZPDHXFCSA-N 288.391 3.571 30 20 CHED C=C(Cl)CNC(=O)Nc1scc(C(C)(C)C)c1C#N 1476646395 KNZHDBPERRNWPX-UHFFFAOYSA-N 297.811 3.791 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2CCCCCCC2)n1 1523624985 NNGIIFQUDWOGNG-UHFFFAOYSA-N 271.364 3.561 30 20 CHED N#Cc1sccc1C(=O)Nc1nc(-c2ccccc2)co1 1539777097 RLAHVMBESBKWEQ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED C=C(CNC(=O)OC1CCCCC1)c1ccccc1 1561627792 PDPMTTJMSJXHTK-UHFFFAOYSA-N 259.349 3.759 30 20 CHED N#Cc1ccsc1NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 1563023591 JLKQQOQCGHCSQE-CHWSQXEVSA-N 289.404 3.710 30 20 CHED Cc1cc(NC(=O)Nc2ccc(OCC#N)cc2)cs1 1563117035 XKEHYLKSUBKATI-UHFFFAOYSA-N 287.344 3.603 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(C(=O)O)cs2)ccc1C#N 1600185576 CHQWQZAZOGIIRQ-HWKANZROSA-N 297.335 3.523 30 20 CHED Cc1cc(SCc2ccccc2C(=O)O)ccc1C#N 1607710583 LFNGCWXBCLPASM-UHFFFAOYSA-N 283.352 3.857 30 20 CHED C=CCC1(C(=O)Nc2cc(C(=O)O)sc2C)CCCC1 1609320590 SMZOSKYPJUACNV-UHFFFAOYSA-N 293.388 3.830 30 20 CHED C[C@H](CC=NNc1ccc(Cl)c(Cl)c1)C(=O)O 1609738243 XRNWOIHGEVAIBP-SSDOTTSWSA-N 275.135 3.502 30 20 CHED C[C@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)C[C@H]1C 1639655131 BSEITPCHVZIPLV-QWHCGFSZSA-N 271.408 3.733 30 20 CHED COc1cc(C#N)ccc1CN(C)c1cc(C)cc(C)c1 1641558129 QAKNTZYCQLXMON-UHFFFAOYSA-N 280.371 3.820 30 20 CHED CCN(C[C@H](O)c1ccc(C#N)cc1)c1cccc(C)c1F 1644243866 VNNSSNZBVMGFPA-KRWDZBQOSA-N 298.361 3.566 30 20 CHED C[C@H](Nc1cc(C#N)cnn1)c1cccc2ccccc12 1649163903 LATUVNUOKWFLFR-LBPRGKRZSA-N 274.327 3.675 30 20 CHED N#Cc1cnc(N2CCCCCCCC2)c(Cl)c1 1651855184 OFNAFIJXHUIXRL-UHFFFAOYSA-N 263.772 3.767 30 20 CHED N#CCOc1cc(F)ccc1NCc1ccc2cc[nH]c2c1 1657709210 GIKKMEALQBCZIT-UHFFFAOYSA-N 295.317 3.821 30 20 CHED O=C(O)c1ccccc1NN=Cc1cccc(C2CC2)c1 1776030664 CVSHPNZVLBBELT-UHFFFAOYSA-N 280.327 3.708 30 20 CHED CC(=NNc1ccccc1C(=O)O)[C@@H]1C[C@H]2C=C[C@H]1CC2 1776031240 VAXFQGDUBMYOOM-YDHLFZDLSA-N 284.359 3.775 30 20 CHED Cc1c(NN=C2C[C@@H]3[C@@H](C2)C3(C)C)cccc1C(=O)O 1776089221 IBEKYBPYGJUDQG-CHWSQXEVSA-N 272.348 3.527 30 20 CHED C=C1CCC(C(=O)Nc2cc(C(=O)O)ccc2Cl)CC1 1776145989 QYTYFDKAYJSFMP-UHFFFAOYSA-N 293.750 3.723 30 20 CHED COc1ccccc1CSc1nc(C)cc(C)c1C#N 5643175 YLMVMKIPVRQXBC-UHFFFAOYSA-N 284.384 3.871 30 20 CHED N#Cc1cccc(NC(=O)CCCc2cccs2)c1 7265432 RPZONRJHMBMBFA-UHFFFAOYSA-N 270.357 3.581 30 20 CHED C=C(C)CNC(=S)Nc1cccc2ccccc12 7522941 VMLVWLVWLUYHJZ-UHFFFAOYSA-N 256.374 3.702 30 20 CHED Cc1c(Cl)cccc1NC(=O)CNc1cccc(C#N)c1 7974123 ONYKNFBKRNUPSO-UHFFFAOYSA-N 299.761 3.571 30 20 CHED CCc1ccc2c(c1)/C(=N\Nc1cccc(Cl)c1)C(=O)N2 8446045 QJKBEYDNYOQUGQ-UHFFFAOYSA-N 299.761 3.671 30 20 CHED N#Cc1cccc(NCc2cccc3cccnc23)c1 20090109 QTSXTJPOVVYJAY-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 20826613 WOLWNEKMGAJTML-CYBMUJFWSA-N 294.354 3.893 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1ccc2c(c1)CCCC2 23677225 VFQJEYYPDRTKGV-GJZGRUSLSA-N 281.403 3.660 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1cccc(C#N)c1 31775822 ROBUUEDZCCLJLH-UHFFFAOYSA-N 280.327 3.598 30 20 CHED CCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 37131401 GINTXQDXXLUSPA-LLVKDONJSA-N 261.325 3.847 30 20 CHED CC(C)(C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 41557115 IFTYRXWBNUQVRN-SECBINFHSA-N 291.301 3.654 30 20 CHED CCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 45026979 LPCBRIGZIPMXPI-UHFFFAOYSA-N 279.343 3.612 30 20 CHED C[C@H]1c2ccsc2CCN1C(=O)c1cccc(CC#N)c1 49623826 JXZOSKILPRBUJN-LBPRGKRZSA-N 296.395 3.574 30 20 CHED C[C@@H](N[C@H]1CCc2ccccc2C1)c1cccc(C#N)c1 51630979 BTDBHLDTINNJQI-KUHUBIRLSA-N 276.383 3.766 30 20 CHED COc1ccc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)cc1 60528976 PSPDFWMYGNEZGJ-JXMROGBWSA-N 284.359 3.612 30 20 CHED C=CCSc1nnc(Cc2cccs2)n1C1CC1 60990727 KPGDVSNXXYCBGI-UHFFFAOYSA-N 277.418 3.543 30 20 CHED Cc1nnc(N[C@H]2CCCc3sccc32)c(C#N)c1C 61367145 HAGOMHMAQFYKQJ-ZDUSSCGKSA-N 284.388 3.516 30 20 CHED N#CC1(NC(=O)/C=C/c2cc(Cl)ccc2Cl)CCC1 63476975 AFMPTAWAUCYAQI-GORDUTHDSA-N 295.169 3.569 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)C[C@H](C#N)CCC#N 72589680 TZKHYISRBPSERD-ZDUSSCGKSA-N 295.308 3.581 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NCc1cc(C#N)ccc1F 78531642 MTTYSEFNDQOAJX-UHFFFAOYSA-N 285.278 3.526 30 20 CHED CCN(CC)c1ccc(CNc2cccc(F)c2C#N)cn1 79927450 MSPGZROGQICDRQ-UHFFFAOYSA-N 298.365 3.551 30 20 CHED CC(=O)c1ccc(F)cc1OCCCC(C)(C)C#N 87598932 GTMWJROHSBBCFV-UHFFFAOYSA-N 263.312 3.737 30 20 CHED C=CCCc1csc(-c2c(O)nnc(CC)c2CC)n1 90065619 WYGVDEVZWJTLTF-UHFFFAOYSA-N 289.404 3.549 30 20 CHED N#CCCCOc1cccc(/C=C\C(=O)c2cccnc2)c1 96189870 HTRPBRJMYDCHLX-HJWRWDBZSA-N 292.338 3.660 30 20 CHED CC(C)N(C)C(=O)c1ccccc1-c1ccccc1C#N 97077279 WDCFNBRZXKKWML-UHFFFAOYSA-N 278.355 3.706 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(C)[C@@H](C)CC#N 103441187 ZLMCYNZHWXIONJ-KGLIPLIRSA-N 252.402 3.744 30 20 CHED CC(C)c1nccc(Oc2ccc(C#N)cc2Cl)n1 106463071 KPKAHBBFCCQADZ-UHFFFAOYSA-N 273.723 3.917 30 20 CHED Cc1ccsc1C(=O)N[C@](C)(C#N)CCc1ccccc1 110013330 OCULWDZXLGLDIQ-KRWDZBQOSA-N 298.411 3.701 30 20 CHED CCc1nc([C@H](C)/N=C/c2cccc(OC)c2O)cs1 110129768 MCMWUJORRAIJCD-MDKXCRPYSA-N 290.388 3.600 30 20 CHED N#Cc1nc(NCCC2=CCCCC2)ccc1Cl 111104980 HFFNONLRBSHFIG-UHFFFAOYSA-N 261.756 3.909 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)Cc2ccccc2C)CC1 111474031 PRBNOWJBTPOLQK-OAHLLOKOSA-N 286.419 3.534 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H]2CCc3ccccc32)c1 111717853 OPIBBHNULRSBTC-INIZCTEOSA-N 290.366 3.519 30 20 CHED C=CC1CCN(C(=O)Nc2cccc(N3CCCC3)c2)CC1 111739875 WXEVRBFEPUJPIJ-UHFFFAOYSA-N 299.418 3.717 30 20 CHED CC[C@H](Sc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 111944543 NYFWMVHNPXRSGR-HOCLYGCPSA-N 296.395 3.829 30 20 CHED Cc1ccc([N+](=O)[O-])cc1Oc1cccc(F)c1C#N 112012074 MUGYLVHYWWJIDO-UHFFFAOYSA-N 272.235 3.706 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(CSCC)cc1 116851342 JSFOPIXRDLXTHY-LBPRGKRZSA-N 263.406 3.634 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(F)cc1 116973631 ZHKOQKXLTHNSRN-DOMZBBRYSA-N 276.355 3.637 30 20 CHED N#Cc1ccc(N2CCC(F)(F)CC2)c(C(F)(F)F)c1 117663419 UKUNRZDMKYWBTR-UHFFFAOYSA-N 290.235 3.813 30 20 CHED C=CCCCN1CCO[C@@H](c2ccccc2Cl)C1 117879184 SADQJASARDKRJX-OAHLLOKOSA-N 265.784 3.680 30 20 CHED CC(C)CNC(=O)[C@@H](C)S[C@H](C)c1ccc(C#N)cc1 118446693 MCQCLUBIUMHCGH-CHWSQXEVSA-N 290.432 3.513 30 20 CHED C=C[C@H](CC(=O)OCCCc1ccncc1)c1ccccc1 119142007 DRHGQQHRHMDHHR-QGZVFWFLSA-N 295.382 3.917 30 20 CHED CCN(Cc1ccc(C)nc1)[C@H](C)c1ccc(C#N)cc1 122351517 NLTBIXPLIKLERJ-OAHLLOKOSA-N 279.387 3.845 30 20 CHED C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CC(C)(C)O1 122390366 KMYCSWVGQLPCIQ-JTQLQIEISA-N 298.308 3.581 30 20 CHED N#CCCCCSc1cc2c(cc1Cl)OCCO2 122602089 DPEYFKSYHSCZSY-UHFFFAOYSA-N 283.780 3.897 30 20 CHED CCN(CCC#N)Cc1ccc2cc(OC)ccc2c1 123251004 QLGKJCMAZUXBCY-UHFFFAOYSA-N 268.360 3.584 30 20 CHED CC(C)Sc1ccccc1NC(=O)c1ccc(C#N)[nH]1 125636326 YKEFOGWUVRYEQP-UHFFFAOYSA-N 285.372 3.639 30 20 CHED C=C[C@H](CC(=O)NCCCC(C)C)c1ccccc1 131120117 MSDJAEORZWTIBL-OAHLLOKOSA-N 259.393 3.899 30 20 CHED C=CCC(CC=C)C(=O)Nc1cnccc1OC(C)(C)C 131846613 SDRUMCRUNBVHRX-UHFFFAOYSA-N 288.391 3.966 30 20 CHED CCC(CC)S[C@H](C)C(=O)Nc1cccc(C#N)c1 131860966 VNWOUURQCLWEQM-LLVKDONJSA-N 276.405 3.807 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)[C@H](C#N)c1ccccn1 147032563 METATDIGPJRSRJ-LLVKDONJSA-N 299.399 3.634 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)CSC(C)(C)C)CC1 152992804 AYWSQNFRXNHMBP-AWEZNQCLSA-N 284.513 3.537 30 20 CHED COc1ccc(C#N)cc1CN(C(C)C)C1CCCC1 157627544 ABNBDIJJECVOLO-UHFFFAOYSA-N 272.392 3.720 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ncccc1C 172685229 CKCABKZPYKJLAC-UHFFFAOYSA-N 261.369 3.600 30 20 CHED C#CCCCNC(=O)c1ccccc1SCC=C(C)C 172925790 WUZSWRGTPYFZIQ-UHFFFAOYSA-N 287.428 3.888 30 20 CHED N#CCSCCCSCCCc1ccccc1 174018554 FHGNYGXLAKXOFJ-UHFFFAOYSA-N 265.447 3.999 30 20 CHED CC(C)CCOC1CCN(c2ccc(F)cc2C#N)CC1 174689295 SZYXNNYGFDZRBG-UHFFFAOYSA-N 290.382 3.729 30 20 CHED CC[C@H](C#N)OC(=O)CCCOc1ccc(Cl)c(C)c1 176015074 IVXGSIPBIGZIEM-GFCCVEGCSA-N 295.766 3.653 30 20 CHED Cc1c(C#N)cccc1NCc1nc(C(F)(F)F)cs1 178981558 AGBKOXRDBQTAID-UHFFFAOYSA-N 297.305 3.954 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc(C)c1O)c1ccccc1 179772026 DGPPNOOURAFKRL-AWEZNQCLSA-N 281.355 3.999 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2sccc2C)cc1 180446214 MYWVUMWTYUOQDP-BQYQJAHWSA-N 285.368 3.911 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c[nH]1 181235596 SJPHPRKJJZGXKJ-OAHLLOKOSA-N 299.761 3.517 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(F)cc1Cl 182626914 FTTSXDHRMWMKPS-JTQLQIEISA-N 269.747 3.954 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1cccs1 182640760 BKSWUHGMMRDGIC-NWDGAFQWSA-N 251.395 3.713 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C 182757150 FJLSQDFBXNSCPA-LBPRGKRZSA-N 291.351 3.770 30 20 CHED C=C(C)[C@@H](NC(=O)N1CCC[C@@H]1C)c1ccc(F)c(F)c1 185478260 FLYTZDQNRPJDKX-XHDPSFHLSA-N 294.345 3.776 30 20 CHED CC(C)(C)c1csc(CCN[C@@H]2CCC[C@H](C#N)C2)n1 185820110 JHXZFDWWWCXGPP-QWHCGFSZSA-N 291.464 3.655 30 20 CHED C=C(C)[C@@H](NC(=O)C=C(C)C)c1ccc(F)c(F)c1 186055166 GKWOKXLKBGYOFM-OAHLLOKOSA-N 265.303 3.664 30 20 CHED CC(C)=CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187303642 VDIDTXOVTKMQTI-UHFFFAOYSA-N 262.397 3.567 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CCSCC 188916058 VMIFKUAXBAWPCR-GXTWGEPZSA-N 257.443 3.579 30 20 CHED C=CCCCC(=O)N1CCO[C@@H](c2ccc(CC)cc2)C1 190885291 QYYHNSNAAJCWCF-QGZVFWFLSA-N 287.403 3.505 30 20 CHED C=CCN1CCC(N[C@H](C)c2csc(Cl)c2)CC1 191273162 GMTCZDLHQISJQS-LLVKDONJSA-N 284.856 3.703 30 20 CHED Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cc(C#N)n(C)c2)o1 191434174 AZNYIPZYUXGOKH-CXAGYDPISA-N 297.402 3.771 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccncc1C(F)(F)F 193128061 BRPDABUVZCBJOI-SNVBAGLBSA-N 286.297 3.575 30 20 CHED CC(C)N(Cc1ccc(O[C@@H](C)C#N)cc1)CC1CCC1 195080208 HJQFZKPZIAPNAL-HNNXBMFYSA-N 286.419 3.988 30 20 CHED C#CCCCN[C@H](CC)c1ccc(Br)cc1 230185935 NXLOTQVHYVIEQR-CQSZACIVSA-N 280.209 3.903 30 20 CHED C#CCCCC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 248681517 WQGJKMONDXQING-BFYDXBDKSA-N 269.388 3.583 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C1/Cc2cc(F)ccc2C1=O 254914475 NXOWRBXIOOIVLN-XFFZJAGNSA-N 284.334 3.669 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1F 255495888 PHCIFMCXTRTOMT-DJWKRKHSSA-N 291.709 3.779 30 20 CHED N#Cc1cnc(N[C@H]2CCCOc3ccccc32)c(Cl)c1 263824634 ZFBQOYHEOPGGEB-AWEZNQCLSA-N 299.761 3.932 30 20 CHED C=CC[C@@H](C)NC(=O)CSc1ccc(Cl)cc1 265307876 DGWVUZHJTAAFAL-SNVBAGLBSA-N 269.797 3.513 30 20 CHED C[C@H](NC(=O)CON=C1CCC1)c1ccc2ccccc2c1 265486442 USNPSRDUGUWBOU-ZDUSSCGKSA-N 296.370 3.574 30 20 CHED CCCCCCCCCNC(=O)N(C)Cc1ccon1 265960184 RAKWWYDUZZREBA-UHFFFAOYSA-N 281.400 3.567 30 20 CHED Cc1ncsc1CN[C@H](CCC#N)c1ccccc1 269610461 LQAOBFAQSHAQNH-CQSZACIVSA-N 271.389 3.586 30 20 CHED CCN(C(=O)[C@@H]1CC1(C)C)[C@@H](C)c1ccc(C#N)cc1 269699460 INUVUUIEVVAOHR-WFASDCNBSA-N 270.376 3.514 30 20 CHED C=CCN(C(=O)c1cccc(Cl)c1Cl)C1CC1 271579462 VEMWZVYUSZBONC-UHFFFAOYSA-N 270.159 3.784 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(C#N)cc1 272341409 ZQOMHWMYFIXJBP-CQSZACIVSA-N 287.366 3.770 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@H](c3ccccc3)C2)c1 273158847 ARWVXFWGISLAPT-SFHVURJKSA-N 290.366 3.755 30 20 CHED N#Cc1ccc(SCCCOCc2ccccc2)nc1 273445036 JZXIBYGDTPNWAS-UHFFFAOYSA-N 284.384 3.652 30 20 CHED C[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1nccs1 273452102 OWPQKNRKRYFVOD-GHMZBOCLSA-N 289.379 3.608 30 20 CHED C=CCCN(C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 276299418 LGMRKSPOVLAFRO-UHFFFAOYSA-N 285.347 3.745 30 20 CHED C[C@@H](CSC[C@H](C#N)CCC#N)c1ccccc1 280192307 DCYNTZKXSLNWQI-KBPBESRZSA-N 258.390 3.967 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(F)c(F)c1O 281654217 PXBGZEZXXSOTLX-NXEZZACHSA-N 255.308 3.676 30 20 CHED C=CCC[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccco1 286230078 SUYVVTAQGOLLMP-SOLBZPMBSA-N 283.371 3.535 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1c(F)cccc1Cl 286251016 UNTPMONAXRWRNF-YMTOWFKASA-N 282.746 3.596 30 20 CHED C=CCN(Cc1ccccc1F)CC1CCC(=O)CC1 289986058 JZNIWKGHPJKAIJ-UHFFFAOYSA-N 275.367 3.573 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)C(=O)CCCC#N 292366736 CYWLMVBCYGTIES-LLVKDONJSA-N 264.756 3.553 30 20 CHED CC(C)N(C(=O)CCCC#N)c1cnc2ccccc2c1 292395599 RQDIYNVCHSJUGA-UHFFFAOYSA-N 281.359 3.670 30 20 CHED C=CCC(CC=C)c1nc(CCC2CCOCC2)no1 293322616 ZLSDXXGGHGBBMC-UHFFFAOYSA-N 276.380 3.665 30 20 CHED C=CC[C@@H](C)NCc1c(C)nc2scc(C3CC3)n12 298481146 PKTJJPDCEBUCRF-SNVBAGLBSA-N 275.421 3.636 30 20 CHED N#Cc1cc(F)ccc1NC[C@H]1CCN(c2ccccc2)C1 301208035 RROGKHSOOCCJEZ-CQSZACIVSA-N 295.361 3.636 30 20 CHED CCCCN1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 301337888 DLXAYKHSIHLUCY-UHFFFAOYSA-N 291.826 3.888 30 20 CHED N#Cc1ccc(N[C@@H]2CCSc3c(F)cccc32)cn1 301515099 LNFSVPGNAULWGC-CQSZACIVSA-N 285.347 3.741 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)cc2Cl)cn1 301569826 KOTFWLOSGNGGLN-UHFFFAOYSA-N 278.142 3.872 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1c1ccc(Cl)c(C#N)n1 301596801 WPLZPUFYPGKSGT-TZMCWYRMSA-N 297.789 3.989 30 20 CHED CC(C)[C@@H](CNc1cccc(F)c1C#N)c1cccnc1 301599690 YNWARAMFTITUKI-OAHLLOKOSA-N 283.350 3.944 30 20 CHED CC(C)CC[C@H]1CCCCN1c1cccc(C#N)n1 301766485 IDSJFOBTUGYGEM-OAHLLOKOSA-N 257.381 3.748 30 20 CHED CCCCCCCC(=O)Nc1ccc(C(=O)OC)cc1F 303192605 KCWRTDFEKUXAOY-UHFFFAOYSA-N 295.354 3.911 30 20 CHED C=CCN(CCc1ccc(OC)cc1)CC(C)(C)C 303629875 FIOXKMCQDZUHPP-UHFFFAOYSA-N 261.409 3.772 30 20 CHED N#Cc1ccc(OCc2ccnc(Cl)c2)c(Cl)c1 311018503 NNVAHGRTBSJNBS-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C[C@H]1CCC[C@@H]1NC(O)=Nc1ccc2ccoc2c1 328642732 FAQMLHBRRBCKGP-GWCFXTLKSA-N 258.321 3.757 30 20 CHED O/C(=N/C1CCC1)[C@@H]1CCCC[C@H]1/C(O)=N\C1CCC1 328845115 RLQDNHPLMFQBKX-ZIAGYGMSSA-N 278.396 3.811 30 20 CHED OC(C[C@H]1CCOC1)=Nc1ccc2nc(C3CC3)oc2c1 330283440 WDVMVQJHQVSYDI-SNVBAGLBSA-N 286.331 3.720 30 20 CHED Cc1ccc(/C(O)=N/CC2(C(=N)O)CCCC2)cc1F 330829410 XNVOMGXUJGCYET-UHFFFAOYSA-N 278.327 3.534 30 20 CHED CCOc1ccc(OC)cc1N/C(O)=N/[C@@H]1CC[C@H](C)C1 331303344 STVAJCZGMCHANW-NWDGAFQWSA-N 292.379 3.608 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC(C)(C)CC1 334222739 YVHDWPZBBDNBRW-UHFFFAOYSA-N 271.364 3.521 30 20 CHED CN(C(=O)c1cnc(C(C)(C)C)s1)c1ccccc1C#N 334293502 QJTJZGDYNLZHIC-UHFFFAOYSA-N 299.399 3.589 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC=Cc2ccccc21 334606326 FALRAEFKFBCOAZ-UHFFFAOYSA-N 278.311 3.523 30 20 CHED Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)s1 335327241 GQGVWYRDNWZCPC-INIZCTEOSA-N 268.385 3.705 30 20 CHED CC1=C(C)C[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)CC1 335472501 UNPBVKVEPFNJRX-KRWDZBQOSA-N 282.387 3.653 30 20 CHED N#CCC1CCN(C(=O)Nc2cccc3ccccc23)CC1 335980606 WJHLNLYGNZAKOP-UHFFFAOYSA-N 293.370 3.997 30 20 CHED C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC1CCC(C)(C#N)CC1 336219284 KNNGZLKGZMFKHI-NYMYAYCPSA-N 288.366 3.710 30 20 CHED CC1(C)CCCCN([C@@H](C(=N)O)c2ccc(C#N)cc2)C1 336543504 FKCNAYVRPIMUGH-OAHLLOKOSA-N 285.391 3.647 30 20 CHED CC[C@H](N[C@H]1CCC[C@@H]1OC(F)F)c1ccc(C#N)cc1 337537828 HHMISCNYPOJKGA-KKUMJFAQSA-N 294.345 3.759 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 338118883 NGRWJEGBKWXDPV-NUTKFTJISA-N 282.387 3.517 30 20 CHED N#Cc1cccc(OCc2ccc(C(F)(F)F)cn2)c1 340577123 BKCRDEUPMADKLQ-UHFFFAOYSA-N 278.233 3.551 30 20 CHED Cc1cc(N2CCC[C@@H]2c2cccs2)cc(C#N)n1 341371414 ZBAORJRVRBIREE-CQSZACIVSA-N 269.373 3.665 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(-c2ccccc2C)c1C 341656823 UDNRADALLBVUEU-HNNXBMFYSA-N 297.402 3.574 30 20 CHED CCC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCOCC1 341709263 RTVCANOYKJCUAQ-GOSISDBHSA-N 298.430 3.732 30 20 CHED CO[C@]1(C)C[C@@H](Nc2ncc(Cl)c(C)c2C#N)C1(C)C 343519252 ZIRGZPGCHKRDRG-IUODEOHRSA-N 293.798 3.531 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCN(C)c2ccccc2C1 345117310 DFMZBMGZBAFLAE-HNNXBMFYSA-N 291.398 3.571 30 20 CHED Cc1cccc(CC(=O)NCC(C)(C)CCC#N)c1Cl 345943125 DJECLDWACRCGPA-UHFFFAOYSA-N 292.810 3.637 30 20 CHED C[C@@H](NCc1cccs1)c1ccc(C#N)c(F)c1 346066058 LCMBMXVZTPKKSE-SNVBAGLBSA-N 260.337 3.610 30 20 CHED C=CCCCN[C@@H](C)c1cnn(Cc2ccccc2)c1 348373598 IBXRZJRQRLDLIH-HNNXBMFYSA-N 269.392 3.548 30 20 CHED CCOc1ccc(/C=C\c2ccncc2C#N)cc1F 349112587 OSFUOJKBXDKNRX-HYXAFXHYSA-N 268.291 3.661 30 20 CHED CC(C)(C#N)CCCN(Cc1ccccc1)Cc1cc[nH]n1 350124200 MHAAAPBOJZIAIS-UHFFFAOYSA-N 296.418 3.742 30 20 CHED COc1c(CNCc2cccc(C#N)c2)oc2ccccc12 353180415 HYWLDOYIACXDOC-UHFFFAOYSA-N 292.338 3.603 30 20 CHED C=CCOc1ccc(C(=O)N(CC)Cc2ccccc2)cc1 353502621 QVHOTJYCUIUWSQ-UHFFFAOYSA-N 295.382 3.914 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 354525953 LYEXPWHJKBLGOL-INIZCTEOSA-N 267.332 3.560 30 20 CHED C[C@H]1C[C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)CCO1 356793965 LUSCEKIOZUVMMZ-QWRGUYRKSA-N 298.308 3.804 30 20 CHED N#Cc1ccccc1SCc1noc(-c2cccs2)n1 357477240 ALINJXHZFRJBBH-UHFFFAOYSA-N 299.380 3.962 30 20 CHED CCCC[C@H](C)N(C)C(=O)c1cccc(C#N)c1C 358249181 SSBDRSSGCZERCH-LBPRGKRZSA-N 258.365 3.517 30 20 CHED CC[C@@H](CC#N)NCc1ccc(OC)c(OCC(C)C)c1 358275539 GYQVVXMWEDORCK-HNNXBMFYSA-N 290.407 3.512 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C[C@H](C)CC 359497358 APFFNZGTDFMLQN-GFCCVEGCSA-N 273.380 3.755 30 20 CHED N#CCCCC(=O)N1[C@H]2CC[C@H]1CC(c1ccccc1)C2 360536661 WWWCLXLEQBAFRA-IRXDYDNUSA-N 282.387 3.617 30 20 CHED C[C@@H]1C[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)CCO1 360650183 XPXHSDBLRJUNHX-IDHHARJASA-N 298.430 3.730 30 20 CHED C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCCOC1 360868661 AELVNDIXCTZVAA-POZUXBRTSA-N 298.430 3.730 30 20 CHED Cc1nnc(-c2ccccc2NCc2cccc(C#N)c2)o1 368753384 VRGZJVFRUVQLJU-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C[C@@H]1N(c2cc(Cl)ccc2C#N)CCC12CCOCC2 374937353 RFOAMGVJPZJJBH-LBPRGKRZSA-N 290.794 3.607 30 20 CHED C[C@@H]1CCN(c2cccc(Cl)c2C#N)CCS1 380370077 SQCQIZPRYOWVRQ-SNVBAGLBSA-N 266.797 3.543 30 20 CHED CCCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C 385087438 INDRPIYMPZDCDG-HZPDHXFCSA-N 283.456 3.889 30 20 CHED COc1ccccc1C[C@@H](C)N(C)c1cccc(F)c1C#N 387810618 RCRLXUMYZWLIET-CYBMUJFWSA-N 298.361 3.773 30 20 CHED CO[C@@H](COc1cc(C#N)ccc1C)c1ccccc1 393516441 NTENALXPXOKOGZ-KRWDZBQOSA-N 267.328 3.633 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc2c1CCCC2 410677979 VODLXOZAIWQHSK-SFHVURJKSA-N 284.403 3.624 30 20 CHED CCC[C@H](C(=O)Nc1cnc(C#N)c(Cl)c1)C(C)C 411033858 QMLIHOYYQLJJGR-NSHDSACASA-N 279.771 3.617 30 20 CHED CC(C)c1ccc(CNCC2(C#N)CCC2)cc1[N+](=O)[O-] 418139076 HHBANVXIYNXJRX-UHFFFAOYSA-N 287.363 3.502 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1c1cccc(C#N)n1 420648367 YTBOVNRJMVRMMO-MRXNPFEDSA-N 277.371 3.726 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cc(C(CC)CC)no1 424694754 WONKSJYVMXZUFP-UHFFFAOYSA-N 278.396 3.797 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CC(C)C)C1 424724580 SCPVAGDMZJVBNB-AWEZNQCLSA-N 251.414 3.873 30 20 CHED COc1ccc(CCN(C)[C@H](C)c2cccc(C#N)c2)cc1 425535616 NQFYTKBVGMPQCP-OAHLLOKOSA-N 294.398 3.802 30 20 CHED CC(C)(C#N)c1ccccc1CN1CC[C@@H]2CCC[C@H]21 426455502 SUVDGIKJZHBWTB-WMLDXEAASA-N 268.404 3.862 30 20 CHED N#Cc1ccc(NCCc2cccc(Cl)c2Cl)cn1 426529703 LNLYKDMEDJTNJO-UHFFFAOYSA-N 292.169 3.915 30 20 CHED C=CC[C@@H](C(=O)Nc1cnn(CC(C)C)c1)c1ccccc1 427243686 RXNMFBQIQWRTKF-QGZVFWFLSA-N 297.402 3.838 30 20 CHED C[C@H]1CCCN1c1nc2c(cc1C#N)CCCC2(C)C 428134290 JSCZSZQCBXOPSN-LBPRGKRZSA-N 269.392 3.556 30 20 CHED C=CCOc1ccc(CN2CC[C@@H]3CCC[C@@H]32)cc1 428454484 RGJJPMDQGJHZCA-RDJZCZTQSA-N 257.377 3.626 30 20 CHED CC#CCCS[C@H](C)c1cc(C(=O)OC)c(C)o1 431098506 CUUXHIVIOQVWIH-LLVKDONJSA-N 266.362 3.582 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 434017892 VCCMQROAKYATQA-YJNKXOJESA-N 276.424 3.599 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(CCC)c1 435744527 GAAKAKVNROVYQH-ZWKOTPCHSA-N 273.420 3.710 30 20 CHED Cc1ccc(F)c(CN(C)c2ncc(C#N)cc2Cl)c1 436424856 JHKJWUUKAOLAIY-UHFFFAOYSA-N 289.741 3.691 30 20 CHED C=CCNC(=O)CSCC1CCC(C(C)(C)C)CC1 437448523 MMLDDEFHBFUPFJ-UHFFFAOYSA-N 283.481 3.874 30 20 CHED C[C@@H](NC(=O)N[C@@H]1CCCC(C)(C)C1)c1ccc(C#N)cc1 443104357 RTMKYJIIBLOLAR-CZUORRHYSA-N 299.418 3.887 30 20 CHED COc1cc(C(C)=O)ccc1OCc1ccc(C#N)c(C)c1 447301614 ADBNZGUNMSMYHR-UHFFFAOYSA-N 295.338 3.657 30 20 CHED CC(C)(C#N)CC(=O)N(C1CC1)[C@H]1CCc2ccccc21 447398431 SIHBNMRECGNSOO-INIZCTEOSA-N 282.387 3.605 30 20 CHED C=CCCCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 447596313 CFUPYRYKYRDABX-INIZCTEOSA-N 274.364 3.918 30 20 CHED C=CCSCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 448817693 FRXDFCQIHTYYCT-HZPDHXFCSA-N 289.444 3.606 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)CC(C)(C)C 448914753 CAJVJKHJYBZNQD-KGLIPLIRSA-N 264.413 3.601 30 20 CHED Cc1ccc(-c2csc(NC(=O)[C@@]3(C#N)C[C@H]3C)n2)cc1 448938256 PXTISFHNMJAWTF-BDJLRTHQSA-N 297.383 3.607 30 20 CHED Cc1ccc(CCNC2CCC(C)(C#N)CC2)c(C)c1 449102845 MDNMAUOEZDXERF-UHFFFAOYSA-N 270.420 3.908 30 20 CHED C=C(C)COc1cc(CN[C@H](C)C(C)(F)F)ccc1OC 449417716 YZIGXGUUBOMRQW-GFCCVEGCSA-N 299.361 3.783 30 20 CHED C=C(CC)CN[C@@H](CC)Cc1ccc(OC)c(OC)c1 449733768 JUTKBFUHHYRSEU-HNNXBMFYSA-N 277.408 3.581 30 20 CHED C=CCC1(C(=O)N[C@H](C)CCCN(CC)CC)CCCC1 449789222 FKTPIVTYXSDLAX-MRXNPFEDSA-N 294.483 3.750 30 20 CHED N#Cc1cccc(SCC(=O)CC[C@@H]2CCCCO2)c1 450858464 LDOWMCGBRWUQBL-HNNXBMFYSA-N 289.400 3.569 30 20 CHED C[C@H]1C[C@@H](C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC[C@H]1C 451201705 KPLQSANGHCISJN-QPSCCSFWSA-N 276.424 3.599 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@](C)(c2ccc(C)cc2)C1 451285136 AREVQYVPHSSPFW-SFHVURJKSA-N 271.404 3.697 30 20 CHED C[C@H]1C[C@H](CNc2ccc(CC#N)cc2Cl)CCO1 453140167 XPNKFZROZPOBDI-WCQYABFASA-N 278.783 3.633 30 20 CHED N#Cc1ccc2c(c1)[C@H](N1CCC[C@]3(CCSC3)C1)CC2 453345574 FHUYFMDSJOSKQR-MSOLQXFVSA-N 298.455 3.765 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 454963910 RIVNBFMLCXDNSR-UONOGXRCSA-N 291.439 3.536 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 455329404 SRZPTPMMGNBVGI-GOEBONIOSA-N 272.392 3.745 30 20 CHED C[C@@H]1CCCC[C@]1(C)NC(=O)CCc1ccc(C#N)cc1 457235893 BNVZMLDMIRJGMR-KDOFPFPSSA-N 284.403 3.576 30 20 CHED CN(CCCSCC#N)[C@@H]1CCC[C@@H]1c1ccccc1 459681868 YDAKORHNTKWZKP-IAGOWNOFSA-N 288.460 3.901 30 20 CHED C=C(CC)CS[C@H]1CCCN(CC(C)(C)C)C1=O 460797606 UXGMSVFXCQPNJX-ZDUSSCGKSA-N 269.454 3.723 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)C[C@@H]1C 460802601 HEKWVBOKNYOZPL-MCIONIFRSA-N 276.428 3.602 30 20 CHED C=CCCCC(=O)Nc1ccc(OCC)c2cccnc12 463681052 PWJHDGGHWKJJMQ-UHFFFAOYSA-N 284.359 3.928 30 20 CHED Cc1cccc(N(C)C(=O)[C@@H](C)c2cccc(C#N)c2)c1 463715666 OULQPBVWJRNRLK-AWEZNQCLSA-N 278.355 3.633 30 20 CHED C[C@@H](CC(=O)N[C@@H](C#N)C(C)(C)C)C1CCCCC1 464706551 FDJDNXSNWKJKGL-JSGCOSHPSA-N 264.413 3.647 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C#N)C(C)(C)C 464711267 OOUYDDGKHLJWOG-AWEZNQCLSA-N 288.416 3.633 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](c1ccccc1)N(CC)CC 466533874 KQXSLOHGGQUVQN-IRXDYDNUSA-N 288.435 3.540 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](CO)c1cccc(Cl)c1F 467415130 AHSNBDPCWAREOK-MISXGVKJSA-N 285.790 3.703 30 20 CHED C=CCCCCNC(=O)c1ccc(Cl)cc1F 471680995 XHJKCHCENPXCIJ-UHFFFAOYSA-N 255.720 3.565 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccc(O)c1 475275826 GXZJMIRSFNSPDQ-UHFFFAOYSA-N 267.372 3.971 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccc(CC)cc1 476997862 CTBIZNXVZBUGQO-LBPRGKRZSA-N 263.406 3.885 30 20 CHED C[C@H]1CCN(Cc2ccc(Cl)cc2C#N)C[C@H]1C 480874678 ZIVRRYAARWTKFL-NWDGAFQWSA-N 262.784 3.690 30 20 CHED CC#CCCNC(=O)N[C@H](c1ccccc1C)C(C)(C)C 483127504 FTYFJCBGCHVFOA-MRXNPFEDSA-N 286.419 3.795 30 20 CHED CC1=C(C)CN(CC#Cc2cccc(Cl)c2)CC1 483376398 BVYSZRBZLPFNQN-UHFFFAOYSA-N 259.780 3.734 30 20 CHED CC(C)(C)[C@@H]1C[C@H](Nc2ccc(C#N)cc2F)CCO1 487119318 MTKYXNDRDMUJOK-DOMZBBRYSA-N 276.355 3.703 30 20 CHED COc1ccc(SCc2cccc(F)c2C#N)cc1 488219071 LSFCDJBLKUCOIH-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C=CCC[C@H](Nc1cccc(N2CCNC2=O)c1C)C1CC1 494445357 QHLZCMABJQXGOX-INIZCTEOSA-N 299.418 3.681 30 20 CHED C=C(C)COc1cccc(NC(=O)CC(C)(C)C#N)c1 495275096 ANNBKPZWKFGKDT-UHFFFAOYSA-N 272.348 3.520 30 20 CHED C=CCNC(=O)[C@@H](Oc1ccccc1CC)c1ccccc1 499515920 DGQRUOLVSDVYBT-SFHVURJKSA-N 295.382 3.671 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc2c(=O)n(C)ccc12 502309657 MFVWIRKYGPSGRF-STQMWFEESA-N 270.376 3.551 30 20 CHED C=CCN(CC=C)Cc1c[nH]nc1-c1cccc(Cl)c1 505854007 YLWHIVLJMLWZAN-UHFFFAOYSA-N 287.794 3.904 30 20 CHED CCCCCN(CCCOC)Cc1ccc(F)cc1C#N 505906779 PYQIZVRTWAQWDX-UHFFFAOYSA-N 292.398 3.726 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc(C#N)c2C)c1 509552795 LWYGCDNDKPXBKP-UHFFFAOYSA-N 292.338 3.684 30 20 CHED C=C(C)CN(C/C=C\c1ccccc1)Cc1ccc(CO)o1 512213509 OTNUJFASWBHHAK-TWGQIWQCSA-N 297.398 3.863 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](CC2CC2)C1)c1ccccc1 516334463 GHQYMGNAECMYNM-DLBZAZTESA-N 283.415 3.995 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NCCc1ccc(F)cc1F)CC2 521418849 OLDDTCJBQGLNSS-SFHVURJKSA-N 298.336 3.656 30 20 CHED C[C@H](CN(C)CCOc1ccc(C#N)cc1)c1ccccc1 524069769 GVEPTPIJLPWASR-MRXNPFEDSA-N 294.398 3.673 30 20 CHED CC#CCN(Cc1c(F)cccc1F)C1CCCC1 525623888 DTLFDRUBWLJGRQ-UHFFFAOYSA-N 263.331 3.733 30 20 CHED C[C@@H](CC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccco1 527849485 UHRWJKVAYASBEK-QWHCGFSZSA-N 282.343 3.522 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc2c(OC)nccc12 529476089 UCKGZSIVHYSCGU-UHFFFAOYSA-N 297.358 3.512 30 20 CHED CC1(C)CCC[C@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1 535782763 WQLKBXZTZXFIPH-GJZGRUSLSA-N 276.424 3.791 30 20 CHED C=CCN(C(=O)NC1CCC(CCC)CC1)C1CC1 537911354 MWVBJNONQKJHRC-UHFFFAOYSA-N 264.413 3.705 30 20 CHED C=C(C)CN[C@@H](C)c1ccc(SCCOC)cc1 539307774 ZRNPAKLCKUKPRH-ZDUSSCGKSA-N 265.422 3.652 30 20 CHED CC1(CNC(=O)c2ccc(C#N)cc2)CCCCCC1 540689593 ZMKSTKOEYIIIJN-UHFFFAOYSA-N 270.376 3.649 30 20 CHED C[C@H](c1noc(-c2cccc(C#N)c2)n1)C(C)(C)C 544967616 GMUPZHYIBMXVKA-SNVBAGLBSA-N 255.321 3.758 30 20 CHED CC(C)c1ccc(Cc2noc(CSCC#N)n2)cc1 545052963 BHGAWAFOBAGASO-UHFFFAOYSA-N 287.388 3.541 30 20 CHED CC(C)Oc1ccccc1[C@H](C)Nc1cc(C#N)ccn1 552957635 DULNKTDPSWOUAD-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED C=CC[C@@H](CO)CN[C@@H](C)c1ccc2ccccc2c1 553002936 QMNVBIUCQKBXSS-LSDHHAIUSA-N 269.388 3.675 30 20 CHED C/C=C\c1ccc(NC(=O)c2cccc(C#N)c2)cc1 553697623 RJZHLQXBCKQLJR-RQOWECAXSA-N 262.312 3.844 30 20 CHED C=CCCCC(=O)N1CCC[C@H](c2ccccc2)C1 554151687 HTWFFEVGPBTEFI-INIZCTEOSA-N 257.377 3.749 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C)c1ccc(NC(N)=O)cc1 561016760 PQBHNNFGLHIBMA-KBPBESRZSA-N 289.423 3.963 30 20 CHED Cc1ccc(-c2nnc(SCC3(C#N)CCC3)o2)cc1 562535234 OZVQTNZDIGRFBN-UHFFFAOYSA-N 285.372 3.831 30 20 CHED Cc1ccccc1OCCCSc1cccnc1C#N 563412763 IHDXPNXFIFRGKZ-UHFFFAOYSA-N 284.384 3.823 30 20 CHED COc1cc2ccccc2cc1CN(CCC#N)C(C)C 565578648 DKFHMNXNKIHOPO-UHFFFAOYSA-N 282.387 3.972 30 20 CHED CC[C@H](CC(F)(F)F)Nc1ccc(C#N)c([N+](=O)[O-])c1 566887891 OGJQBVXTOBCQLJ-SECBINFHSA-N 287.241 3.609 30 20 CHED CCC1CCC(N(C)C(=O)NCC#Cc2ccccc2)CC1 569872332 ZKFMPHWAAAHADI-UHFFFAOYSA-N 298.430 3.648 30 20 CHED CC(C)CC[C@H](NCc1ccc(C#N)cn1)C(C)(C)C 572678518 UZCYUCCRWYLABO-INIZCTEOSA-N 273.424 3.894 30 20 CHED N#Cc1ncccc1N1CCC[C@@H](c2ccc(F)cc2)CC1 579418551 IZQKDUCSUOMABU-CQSZACIVSA-N 295.361 3.866 30 20 CHED N#CCCC1CCN(c2ncncc2-c2ccccc2)CC1 579466406 AMAXVQRTVAKSDL-UHFFFAOYSA-N 292.386 3.664 30 20 CHED C/C=C/c1ccc(NC(=O)c2cc(C#N)cs2)cc1 579763429 IAAKYTKNGPEUAI-NSCUHMNNSA-N 268.341 3.905 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1ccncc1C 580761436 RAISVIJMLYGPHK-GOSISDBHSA-N 266.388 3.667 30 20 CHED CC#CCN(C)C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 581153122 JIYABTRMHVYTPU-UHFFFAOYSA-N 295.169 3.570 30 20 CHED Cc1csc(NC(=O)N[C@@H]2CCCC[C@@H]2C)c1C#N 581413513 WGOXTHHGIPSGAF-JOYOIKCWSA-N 277.393 3.628 30 20 CHED N#C[C@H](c1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H]2C1 585719627 FUBKDYPESAVUGI-UMVBOHGHSA-N 260.768 3.637 30 20 CHED O=C(/C=C\c1cc(Cl)cs1)c1cc(O)ccc1O 588601369 VSPWTTTUSLJXSE-RQOWECAXSA-N 280.732 3.709 30 20 CHED CC(C)(CCNc1cccnc1C#N)c1ccccc1 589564179 DDSHQBQMIBZZHJ-UHFFFAOYSA-N 265.360 3.733 30 20 CHED C=CCC1(C(=O)N2CCC[C@](C)(C#N)C2)CCCCC1 590705948 RLXVCOCBLZYITR-MRXNPFEDSA-N 274.408 3.665 30 20 CHED CCc1cccc(OCCN2CCC(CCC#N)CC2)c1 592135824 XRGUHQFHBNIPTR-UHFFFAOYSA-N 286.419 3.644 30 20 CHED COc1ccc(-c2ccc(C#N)cc2)cc1N1CCCC1 593949166 XIWUUBHLZHLZHM-UHFFFAOYSA-N 278.355 3.834 30 20 CHED CCS[C@@H]1CCCC[C@@H]1N[C@@H](C#N)c1ccccc1 595449688 PMAKKXRHZYURRZ-HRCADAONSA-N 274.433 3.905 30 20 CHED Cc1ccc2ncc(CN3CCC[C@@H](CC#N)C3)cc2c1 595623381 OOHGVWUHXYCKLW-HNNXBMFYSA-N 279.387 3.669 30 20 CHED CCN(Cc1cc(F)c(C(F)(F)F)cc1F)[C@H](C)C#N 595821400 VJUOZTMRGZQICY-MRVPVSSYSA-N 292.251 3.718 30 20 CHED C[C@H](N(C)C(=O)CC1(C#N)CCCCC1)C(C)(C)C 596736981 VBHUXFDBGVKLLM-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED CSc1cc(Cl)ccc1NC(=O)N(C)[C@@H](C)CC#N 596977712 OTOFPLCEHTUKNN-VIFPVBQESA-N 297.811 3.828 30 20 CHED CC[C@@H](C)N(CC)C(=O)c1ccc(C(C)(C)C#N)cc1 597857862 UQMHLPYMBOFQTN-CYBMUJFWSA-N 272.392 3.748 30 20 CHED CCN(C(=O)c1csc(C2CCCCC2)n1)[C@@H](C)C#N 598349526 LMKGQXXQMMCUJW-NSHDSACASA-N 291.420 3.565 30 20 CHED CCSCc1cccc(NC[C@@H](O)CC(C)(C)C#N)c1 598726901 XGLUGSRJFQIVDC-HNNXBMFYSA-N 292.448 3.652 30 20 CHED Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(CC#N)C1CC1 601016017 RFKFNVJUQQPDEU-CQSZACIVSA-N 299.418 3.580 30 20 CHED C[C@H](CCC#N)CNc1ccc(-n2ccnc2)c(Cl)c1 602490032 HENUIZDFVGIIQX-GFCCVEGCSA-N 288.782 3.877 30 20 CHED C[C@H](CCC#N)CN[C@H](c1cccc(F)c1)c1ccccn1 602578345 DGYSHQKCKQEKLA-RDTXWAMCSA-N 297.377 3.840 30 20 CHED Cc1csc(NC(=O)N2[C@H](C)CCC2(C)C)c1C#N 603011851 UCTBVBCIDXEOFS-SNVBAGLBSA-N 277.393 3.723 30 20 CHED CC(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 609579380 DTEUEOHJJXXEDG-WDEREUQCSA-N 290.432 3.975 30 20 CHED N#C[C@@H](NC(=O)Cc1cc2ccccc2o1)C1CCCCC1 610502058 MWOOXKYDVRJTGH-MRXNPFEDSA-N 296.370 3.564 30 20 CHED Cc1cccc2c1CCCN2C(=O)c1cc(C#N)cs1 610615643 OAWYFOBMQBLKDZ-UHFFFAOYSA-N 282.368 3.521 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](Nc1cc(C#N)ncn1)CCC2 617963473 QMYNIMXEXRRBGS-KRWDZBQOSA-N 292.386 3.961 30 20 CHED CC[C@H](N[C@H](CO)c1ccccc1C)c1ccc(C#N)cc1 618571607 XLMZSOSTAFLRFO-RBUKOAKNSA-N 294.398 3.641 30 20 CHED C=CCCOCC(=O)Nc1cc(Cl)ccc1Cl 620325315 DEBHHJZZZWJDRO-UHFFFAOYSA-N 274.147 3.525 30 20 CHED C=CCN(C(=O)[C@@H]1CCCc2ccccc21)C(C)(C)C 622943490 DTZWAUZDASXMRY-MRXNPFEDSA-N 271.404 3.920 30 20 CHED C=CCCOCc1nc(-c2ccccc2SCC)no1 624690806 NNEABAUNNJQNCX-UHFFFAOYSA-N 290.388 3.941 30 20 CHED C=CCCC[C@@H](C)N[C@H](c1nc[nH]n1)C1CCCCC1 638837808 XPXQCXXRQBHKCM-HIFRSBDPSA-N 276.428 3.761 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(F)cc1SC)OCC 648619434 CZXWNWLYATUFMB-CYBMUJFWSA-N 297.395 3.857 30 20 CHED C=CC[C@@H]1CC[C@H](NCc2noc(-c3cccs3)n2)C1 651822608 DFKLQGGCLWHMRS-NEPJUHHUSA-N 289.404 3.633 30 20 CHED C=CCCn1cc(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)nn1 653766543 IIQBTLLXAVSJBK-HOTGVXAUSA-N 290.455 3.501 30 20 CHED C=C(CNCc1cc(F)c(F)cc1F)c1ccccc1 676044491 ZAMCVHPLOBGSBN-UHFFFAOYSA-N 277.289 3.907 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c(Cl)cccc21 683788100 GWHBVGMPAPOTIE-DOMZBBRYSA-N 289.806 3.937 30 20 CHED CC1(C)CCN(c2ccncc2C#N)CC(C)(C)C1 699702990 MMIWZIDBYJOIFX-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C#CC(C)(C)NC(=O)c1sc2ccccc2c1Cl 700589685 JRLDWUFFEANRJP-UHFFFAOYSA-N 277.776 3.696 30 20 CHED C=CCCC(C)(C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 717673736 CLDDHAVMJLXIAZ-UHFFFAOYSA-N 296.754 3.723 30 20 CHED C#Cc1cccc(NC(=S)N[C@H](C)CCC(C)C)c1 726436557 YXSWWMIVCRELEX-CYBMUJFWSA-N 274.433 3.779 30 20 CHED CC[C@@H](C)C(C)=NNc1nc(-c2ccccc2)no1 726739396 KVXIPAULHTXVNJ-SNVBAGLBSA-N 258.325 3.571 30 20 CHED C#CCCOC(=O)c1sc(-c2ccccc2)cc1OC 727042419 ZKLDOVCMSARZTC-UHFFFAOYSA-N 286.352 3.604 30 20 CHED COc1ccccc1/C(C)=C\C(=O)Nc1cccc(C#N)c1 727294271 XLBKKHAWZRUVEH-RAXLEYEMSA-N 292.338 3.609 30 20 CHED C=CCCOC(=O)Cc1sc(C)nc1-c1cccs1 729073285 MYVBVCJAUACQKM-UHFFFAOYSA-N 293.413 3.842 30 20 CHED COc1ccc2cc(/C=C\C(=O)O[C@H](C)CC#N)ccc2c1 733711232 YGMUXIGPHIUHAG-IBSXUBTNSA-N 295.338 3.707 30 20 CHED Fc1ccc2c(c1)CCC2=NNCc1ccc(F)c(F)c1 734298146 AFFVLAZGYDSLCS-UHFFFAOYSA-N 290.288 3.544 30 20 CHED C=CC[C@@H](NC(=O)N(C)C1CCCCC1)c1ccncc1 734683014 IZWLRKFLDVCPKX-MRXNPFEDSA-N 287.407 3.673 30 20 CHED Oc1ccc(Br)cc1/C=N\[C@@H]1CC=CCC1 735978706 JUVAYBGCNZCJKZ-CDCQXCROSA-N 280.165 3.682 30 20 CHED CCc1ccc(/C=C/C(=O)c2cncc(F)c2)s1 737444356 QEZCDBFOVNUGOU-AATRIKPKSA-N 261.321 3.741 30 20 CHED Cc1cccc(C)c1C(=O)OCc1cc(C#N)ccc1F 738712475 ZZCGVLUYGSLEMJ-UHFFFAOYSA-N 283.302 3.671 30 20 CHED C=CCCCCCN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] 739898741 DGCXVTRAUSSNFB-UHFFFAOYSA-N 290.363 3.980 30 20 CHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1snc(Cl)c1C#N 742413599 FFDKXGQERYVASX-FZMZJTMJSA-N 289.791 3.810 30 20 CHED C#CCN(C(=O)[C@H](C)SCCCC)C1CCCCC1 743689800 COXFZOKEBQBRDB-AWEZNQCLSA-N 281.465 3.703 30 20 CHED Oc1ccc(Cl)cc1/C=N\CCc1cccc(F)c1 747715802 KMXCXIGREZKFRD-ZDLGFXPLSA-N 277.726 3.846 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)Nc2cccc(OCC#N)c2)C1 749795093 SNFYGJLOSHATMK-KGLIPLIRSA-N 286.375 3.744 30 20 CHED COc1ccccc1NC(=S)NN=C1CCCC1(C)C 749859895 YWOKGWOJPMQMMF-UHFFFAOYSA-N 291.420 3.548 30 20 CHED C=C(C)CN(CC)Cc1cc(Cl)cc(C(C)=O)c1O 750033711 TTZFRUUKCNNNHL-UHFFFAOYSA-N 281.783 3.646 30 20 CHED O=C(/C=C/c1ccccc1C1CC1)c1cncc(F)c1 751034789 CQUWLNCWAIHBIY-BQYQJAHWSA-N 267.303 3.994 30 20 CHED Cc1cc(NN=Cc2c(C)[nH]c3ccc(Cl)cc23)ncn1 752730292 MLZDSOUATZQDIF-UHFFFAOYSA-N 299.765 3.674 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 753148334 GNFXNLKNDTWNLD-CABCVRRESA-N 292.810 3.765 30 20 CHED C=C1CCN(C(=O)c2cc3cccc(Cl)c3o2)CC1 753301608 QFEDAXWDJJYQTF-UHFFFAOYSA-N 275.735 3.878 30 20 CHED C[C@H](NN=Cc1cn(C)c2ccccc12)c1ccccc1 755664021 FRKMJRQNHUWKDR-AWEZNQCLSA-N 277.371 3.863 30 20 CHED Fc1ccc(C=NNCc2cccc(Cl)c2)c(F)c1 756828107 WNMYSRFPOKOHLK-UHFFFAOYSA-N 280.705 3.742 30 20 CHED O=C(/C=C\c1cc2ccccc2o1)c1ccc(O)cc1O 757471671 ISKMVNHCGZXJDP-VURMDHGXSA-N 280.279 3.740 30 20 CHED COc1ccc(C(=O)/C=C\c2cc(C)ccc2OC)c(O)c1 757472112 LFKBQBGKJACJTN-YVMONPNESA-N 298.338 3.614 30 20 CHED C=CCN(CC=C)C(=O)/C(C)=C/c1cccc(Cl)c1 758037798 MPEVRCABYHBVAD-ACCUITESSA-N 275.779 3.944 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@H]1CC[C@@H](C)C1 759217988 BRKOVPPLSQFVRC-OLZOCXBDSA-N 289.350 3.603 30 20 CHED O=C(/C=C\c1cccc(Cl)c1F)c1cc(O)ccc1O 759652775 LLUMLZASPYGHBJ-XQRVVYSFSA-N 292.693 3.786 30 20 CHED CCCOc1ccc(OC(=O)c2ccc(CC#N)cc2)cc1 759753348 ZPHVKBYPJRIUAU-UHFFFAOYSA-N 295.338 3.761 30 20 CHED O=C(/C=C\c1nc2ccc(F)cc2s1)c1ccco1 761481274 WVDCLIFCDRXJTE-WAYWQWQTSA-N 273.288 3.925 30 20 CHED CCON=C1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 762448221 VHGCNDSFWGAFJB-GXTWGEPZSA-N 296.411 3.579 30 20 CHED CCC(=NNc1c(Cl)cccc1Cl)c1cnn(C)c1 763178240 BRJNMQILMOIMPM-UHFFFAOYSA-N 297.189 3.953 30 20 CHED CCn1cc(C=NOCC(F)(F)F)c2ccccc21 764847263 WQLFSFOTXKRHNG-UHFFFAOYSA-N 270.254 3.574 30 20 CHED Cc1ccc(C[C@@H](NCc2ccc(C#N)cc2)C2CC2)cc1 765014167 KJKSAQQXIFTVGX-HXUWFJFHSA-N 290.410 3.978 30 20 CHED C#CCCCN[C@H]1CCc2c(F)cc(Br)cc21 766220392 BIIJALNQASDUNN-AWEZNQCLSA-N 296.183 3.579 30 20 CHED C=CCN(Cc1ccn(-c2ccc(Cl)cc2)n1)C(C)C 767293747 KDRYEUGGPVZMLN-UHFFFAOYSA-N 289.810 3.922 30 20 CHED C[C@H]1CCC(=NNc2ncnc3sccc23)C[C@H]1C 767359115 FMPIITIIIHRINK-VHSXEESVSA-N 274.393 3.915 30 20 CHED C[C@@H](C#N)Oc1ccc(CN[C@H]2CCC(C)(C)C2)cc1 768661774 KRCXLBBFRPIFDG-ZFWWWQNUSA-N 272.392 3.646 30 20 CHED Clc1nccnc1NN=CCC[C@@H]1C[C@H]2CC[C@H]1C2 768777069 LEJMRFLWNUPCOR-UTUOFQBUSA-N 278.787 3.744 30 20 CHED C=CCCCC(=O)OC[C@@H](C)c1ccc(OC)cc1 768826295 ODGJREISDKHHFN-CYBMUJFWSA-N 262.349 3.698 30 20 CHED Cc1nc(Cl)cc(NN=C2CC[C@@H]2c2ccccc2)n1 769791394 ORQLLNNYVLVSBQ-GFCCVEGCSA-N 286.766 3.784 30 20 CHED Cc1ccoc1C=NNc1ccc(Br)c(F)c1 769828451 FZEAAVKKGADZQI-UHFFFAOYSA-N 297.127 3.936 30 20 CHED C/C=C(/C)C(=O)N(Cc1ccco1)c1ccccc1C#N 770490168 QQZVHWKQPZNKSZ-DXNYSGJVSA-N 280.327 3.651 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)/N=C/c1ccccc1O 770568789 NNDUTTUJKHTUKI-NONUJWSISA-N 287.334 3.726 30 20 CHED CCCCCCCCC(=O)N[C@@H](CO)c1cccc(F)c1 771096916 FWQCOYZTEQGJPI-INIZCTEOSA-N 295.398 3.726 30 20 CHED CCOc1ccccc1-c1cccc(C(=O)O[C@@H](C)C#N)c1 772127252 GCFJIECZVFYGJD-ZDUSSCGKSA-N 295.338 3.821 30 20 CHED CC(CC1CCCC1)=NNc1nccnc1C(C)C 773091551 SNNJXCKARNICGD-UHFFFAOYSA-N 260.385 3.968 30 20 CHED C=C(CC)COC(=O)c1[nH]c(-c2ccccc2)nc1C 773494669 NYHVGFJMLRCPPT-UHFFFAOYSA-N 270.332 3.508 30 20 CHED C#C[C@@H](Cc1ccccc1)OC(=O)c1cccc2cc[nH]c12 773838145 YMDKZWCIZZMTEN-INIZCTEOSA-N 289.334 3.569 30 20 CHED N#Cc1cccc(COC(=O)CC2CCCCC2)c1F 774878408 MTEQUESNEQCYBN-UHFFFAOYSA-N 275.323 3.711 30 20 CHED N#C[C@H](OC(=O)Cn1ccc2ccccc21)C1CCCCC1 776379832 BKBQORBJNBVVTP-KRWDZBQOSA-N 296.370 3.657 30 20 CHED Cc1cc(Cl)ccc1C(=O)OCCC(C)(C)C#N 776395032 HLVXUFITDNHCKO-UHFFFAOYSA-N 265.740 3.745 30 20 CHED Cc1nc(Cl)cc(NN=Cc2cc(F)cc(Cl)c2)n1 776730398 VJSHPZGLSJFQAF-UHFFFAOYSA-N 299.136 3.677 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)c1 777915370 LBNHVLPDCGNCBH-ALCCZGGFSA-N 296.257 3.502 30 20 CHED CCCCCCCCOC(=O)c1cc(O)nc(CC)c1 778173134 CCCWLZJEKFDBFL-UHFFFAOYSA-N 279.380 3.867 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cncs2)cc1 779825236 PQOZUCSLYIXDMG-UHFFFAOYSA-N 259.378 3.887 30 20 CHED C#CCCCCCC(=O)NC[C@@H](c1cccnc1)C(C)C 779982864 XUFFGZPUJZEANJ-QGZVFWFLSA-N 286.419 3.521 30 20 CHED CC(=NN[C@@H]1CCOC(C)(C)C1)c1cc(C)c(F)c(C)c1 780246763 KBJWHQNXJCLDOW-OAHLLOKOSA-N 292.398 3.714 30 20 CHED C=C(Br)CN[C@@H]1CC[C@H](Cc2ccccc2)C1 780522700 INVABLUYLXBSCZ-HUUCEWRRSA-N 294.236 3.896 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(C)C 782481604 IKDXUSSUXZBLIG-GHMZBOCLSA-N 283.824 3.928 30 20 CHED Cc1ccc(F)cc1C(=O)OCCCC(C)(C)C#N 782618588 IPONNHYZDJHVLP-UHFFFAOYSA-N 263.312 3.621 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1nc2ccccc2[nH]1 783791667 YCZPWUQNOMRGOY-NEPJUHHUSA-N 256.353 3.787 30 20 CHED C=CC[C@H](NCc1scnc1C1CC1)c1ccncc1 785471084 UVKFQAADHKOQLO-AWEZNQCLSA-N 285.416 3.823 30 20 CHED Fc1ccc(C=NNC2CCCCC2)cc1Cl 786043071 GTLJHUBZCWNTGY-UHFFFAOYSA-N 254.736 3.735 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCc2cc(C)ccc21 786609242 HAZCWJNFDINOSA-QGZVFWFLSA-N 257.377 3.877 30 20 CHED Cc1sccc1CC(=O)O[C@@H](C)c1cccc(C#N)c1 786949389 TXHIETLQIKVFEU-NSHDSACASA-N 285.368 3.775 30 20 CHED C[C@@H](C#N)OC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 788222678 JXHJHIWJAWNKDB-UONOGXRCSA-N 295.338 3.895 30 20 CHED C#CCC1(C(=O)Nc2cc(O)c(C)cc2C)CCCCC1 788528517 GZLMKCVPTOJOHF-UHFFFAOYSA-N 285.387 3.921 30 20 CHED C=C(Cl)CN(Cc1c(F)cccc1F)C1CC1 792323974 ZNIIJEXPRPDGOK-UHFFFAOYSA-N 257.711 3.682 30 20 CHED C=CCCCCC[C@H](C)NC1CCN(C(=O)OCC)CC1 793523115 HXWVNDGNKLHFGF-HNNXBMFYSA-N 296.455 3.722 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1CCC[C@H]1CCO 793557174 LNXXLATZVABXLP-HRCADAONSA-N 253.430 3.652 30 20 CHED COc1ccc([C@H](C)C(C)=NOCCSC)cc1 794574118 WFFHYAYBBNMWFL-LLVKDONJSA-N 267.394 3.554 30 20 CHED Cc1ccsc1/C=C1/COc2cc(F)ccc2C1=O 794728811 VEGVWZSCWSNZAJ-POHAHGRESA-N 274.316 3.854 30 20 CHED C=CCN(CCC#N)Cc1cc2ccccc2nc1Cl 794744435 IUYGFWCUEOWEAP-UHFFFAOYSA-N 285.778 3.790 30 20 CHED C[C@H]1CSCC1=NNc1ccc(Cl)c(F)c1 794914871 NNNAHVKLPZCZBS-ZETCQYMHSA-N 258.749 3.630 30 20 CHED CCC(=NNc1cccc(F)n1)c1cccc(F)c1 795006421 HOSYVIDZMGSZEZ-UHFFFAOYSA-N 261.275 3.586 30 20 CHED COCCCON=C(C)c1ccc(SC)cc1Cl 795041972 JVBRXSHCWHFDSP-UHFFFAOYSA-N 287.812 3.839 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)ccn1 797103885 ADDXXBUUBVNHFD-HYVNUMGLSA-N 298.386 3.603 30 20 CHED C#C[C@H](NC(=O)N(CC)[C@@H](CC)c1ccccc1)C(C)C 798551529 BNPKIESCFCTZCK-IRXDYDNUSA-N 286.419 3.827 30 20 CHED N#Cc1cc(NCc2nccs2)ccc1OC(F)(F)F 799346795 JQUJYPNGRSNDDT-UHFFFAOYSA-N 299.277 3.525 30 20 CHED COc1cc(C=NN2CCC(C(C)(C)C)CC2)ccc1C#N 799486214 UDHOWYOCXODHJF-UHFFFAOYSA-N 299.418 3.659 30 20 CHED Cc1ccc(-c2nc(-c3ccccc3C)no2)cc1C#N 799760649 MRYTWMMEIZICDZ-UHFFFAOYSA-N 275.311 3.892 30 20 CHED Cc1cc(Cl)nc(CNc2ccc(Cl)c(C#N)n2)c1 799965386 FVEFGOLDEXTZOO-UHFFFAOYSA-N 293.157 3.576 30 20 CHED CC#CC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 803612190 NGNWSPAWXHBVDA-HOTGVXAUSA-N 289.806 3.896 30 20 CHED Cc1cccc(OCCCNc2snc(C)c2C#N)c1 804336906 RXXAPBSSKVDZEH-UHFFFAOYSA-N 287.388 3.513 30 20 CHED N#Cc1sc(NCC(F)(F)c2ccccc2)nc1Cl 804647610 XRYOYJGEDWCHJW-UHFFFAOYSA-N 299.733 3.872 30 20 CHED C[C@H]1CN(C(=O)CCCCCC#N)Cc2ccccc21 805153679 RNMDCAQSWHXAAO-AWEZNQCLSA-N 270.376 3.606 30 20 CHED N#CCCCCCC(=O)Oc1cnc2ccc(F)cc2c1 805990542 YRYVZZRMSMWJGL-UHFFFAOYSA-N 286.306 3.753 30 20 CHED CCOc1cccc(/C=N\CC(C)(C)CCC#N)c1O 806550303 KMLOYEDFELWNJT-WQRHYEAKSA-N 274.364 3.540 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1cc(Cl)cc(C)c1O 807981597 JUZAUFLKKZADPV-CYBMUJFWSA-N 283.755 3.621 30 20 CHED CC(=NN[C@H]1CCSC1)c1ccc(Cl)c(Cl)c1 808002849 PRTGYBMBJVZQOW-JTQLQIEISA-N 289.231 3.813 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)/C(C)=C\C(C)(C)C)cc1 809258977 LHWBYVKDEUWKIK-KVNDZABWSA-N 284.403 3.922 30 20 CHED C#CCC(C)(C)c1nc(Cc2ccc3ccccc3n2)no1 809298738 XJLYBHHZJLPMNG-UHFFFAOYSA-N 291.354 3.510 30 20 CHED C#Cc1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1 809545636 GMYSOHXAISLOMM-UHFFFAOYSA-N 271.310 3.578 30 20 CHED C#Cc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 809602976 FSESCVSKTIGSNQ-UHFFFAOYSA-N 289.300 3.977 30 20 CHED C#C[C@@H](CC)NCc1ccc(Oc2cccnc2)c(C)c1 809686143 SPBKAHIICSOUFR-INIZCTEOSA-N 280.371 3.684 30 20 CHED CCSc1ccccc1C(C)=NNC[C@@H]1CCSC1 811657775 ABWQPVXPGVXUOB-ZDUSSCGKSA-N 294.489 3.865 30 20 CHED CCOc1ccc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc1 811695519 IEWBDVRPALKYTH-CXUHLZMHSA-N 289.334 3.779 30 20 CHED C=CCCCCCCCNC(=O)NC1CC(F)(F)C1 811911261 NPDOZQLHYGIBDM-UHFFFAOYSA-N 274.355 3.610 30 20 CHED C(=NOC1CCC1)c1cccc(-c2ccccn2)c1 812237320 UJYUVWCEQNLHFW-UHFFFAOYSA-N 252.317 3.652 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCC[C@H](OC)C1 814418229 HLMIHXLIDGREDV-CVEARBPZSA-N 281.440 3.834 30 20 CHED CC(C)Cc1nc(C#N)c(NN=C2CC[C@@H]2C2CCC2)o1 814820793 PLDKVURCNHKVIS-GFCCVEGCSA-N 286.379 3.723 30 20 CHED Fc1cccc(NN=C2COc3ccc(Cl)cc32)c1F 814858871 FYWYSODBAXNILS-UHFFFAOYSA-N 294.688 3.827 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(N(CC)CC)cc1 814872399 WDXXAYVNMAZVAV-UHFFFAOYSA-N 282.334 3.683 30 20 CHED Cc1cccc(F)c1NN=Cc1cccc(O)c1Cl 814905340 UHTROJIVGLIVRY-UHFFFAOYSA-N 278.714 3.939 30 20 CHED COc1ccccc1CON=C1CCCc2occc21 814923951 ROUHDSJEXIJCED-UHFFFAOYSA-N 271.316 3.545 30 20 CHED COc1ccc(CC(C)=NOC/C=C\Cl)c(C)c1OC 814934261 QCKUJLQRZLXTIZ-HPQKFPEESA-N 297.782 3.700 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc2ccc(C)cc2s1 815358484 JJGZOWJHIGLGCW-UHFFFAOYSA-N 282.315 3.755 30 20 CHED CC(C)n1cncc1C=NNc1cccc(C(F)(F)F)c1 819801777 XQNBFQPTLVXYFC-UHFFFAOYSA-N 296.296 3.929 30 20 CHED CCC[C@H](CC)C(=O)Nc1ccccc1O[C@@H](C)C#N 821797256 ONZPVWUIIPODEH-STQMWFEESA-N 274.364 3.742 30 20 CHED CCC(=NNc1nncc2ccccc12)C1CCCC1 834921776 VMGXQZOFEHIPPD-UHFFFAOYSA-N 268.364 3.998 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1ccc(N)nc1 835018898 WYUNJUYURZYCTF-UHFFFAOYSA-N 268.364 3.623 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)OCc1ccc(CC#N)cc1 835273186 HTQBWHVTLWWPRJ-CVEARBPZSA-N 271.360 3.622 30 20 CHED C=CC(C)(C)COC(=O)CCCC(=O)C(C)(C)C 835721483 KWBQHQWALVZVHH-UHFFFAOYSA-N 254.370 3.527 30 20 CHED CCN(C(=O)C#CC(C)(C)C)[C@H](C)Cc1ccsc1 837549960 OPOREYIDWHDATF-CYBMUJFWSA-N 277.433 3.577 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H](C)Oc1ccc(SC)cc1 839041811 YDZCYVIHZSHIEC-STQMWFEESA-N 292.400 3.521 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(C)n1C(C)C 839044657 PEERCXYNHHLDIQ-LSDHHAIUSA-N 288.391 3.925 30 20 CHED C#C[C@@H](OC(=O)CCCOCC)c1ccc(Cl)cc1F 842353318 LPOIFSFNVDBNGX-CQSZACIVSA-N 298.741 3.513 30 20 CHED Cc1ccc(-c2ccc([C@H](O)C3CC3)cc2)c(C#N)c1 844233078 ZIZCTHFFSUWOAS-SFHVURJKSA-N 263.340 3.977 30 20 CHED C=C[C@H](C)ON=C(C)c1ccc(OC(F)F)c(OC)c1 844625975 WEAXZMYGABORFV-VIFPVBQESA-N 285.290 3.612 30 20 CHED C=CC[C@H](OC(=O)C[C@H](C)n1ccnc1)c1ccccc1 845520520 ALEFBUZNDRQQAV-HOCLYGCPSA-N 284.359 3.695 30 20 CHED CCCN(C(=O)Nc1ccccc1O[C@H](C)C#N)C(C)C 847164238 COQKAWGOHMRWHL-CYBMUJFWSA-N 289.379 3.630 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1c(C)noc1C)C2=O 848642882 LZIQWZRDRYYHTG-ZSOIEALJSA-N 267.328 3.731 30 20 CHED CC[C@@H](C)c1ccc(NC(=N)NCC2(CC#N)CC2)cc1 849025676 AWTCYIUICODEPR-CYBMUJFWSA-N 284.407 3.830 30 20 CHED N#Cc1cc(Cl)cc(OCCC2SCCS2)c1 853020252 AFYKMIROZHFOGP-UHFFFAOYSA-N 285.821 3.787 30 20 CHED CC(C)c1ccc([C@H](C)NN=Cc2cnc3n2CCC3)cc1 853294554 VGAGAEOMVLWIIC-AWEZNQCLSA-N 296.418 3.637 30 20 CHED Cc1ccc2[nH]cc(C=NN3CCCC[C@@H]3C)c2c1 853380088 NBIJMVHEWTYQEM-ZDUSSCGKSA-N 255.365 3.685 30 20 CHED C[C@H]1CCCCN1N=Cc1cc2cc(Cl)cnc2o1 853381450 CWFJOBKMGXJAOU-JTQLQIEISA-N 277.755 3.690 30 20 CHED CCCCCCCn1cnc(C(=O)c2cccs2)n1 853732096 VNHBWTXVBPNPHJ-UHFFFAOYSA-N 277.393 3.541 30 20 CHED CC#CCCSCc1cnc(-c2ccccc2)nc1 853787396 PJDXZTJXQHYKFI-UHFFFAOYSA-N 268.385 3.790 30 20 CHED Cc1ccc2c(c1)C(=NNc1ncc(Cl)cn1)CCC2 857220805 NMPVQTVUVJMKDW-UHFFFAOYSA-N 286.766 3.591 30 20 CHED CCCCCCC(C)=NNc1ncc(Cl)cn1 857223022 HQBPLCYFXZMIMI-UHFFFAOYSA-N 254.765 3.888 30 20 CHED C#CC[C@@H](N[C@H](C)c1nc(C)cs1)c1ccccc1 858383650 ZTFVDSWIXDGXOT-UKRRQHHQSA-N 270.401 3.867 30 20 CHED COc1ccc(NCC2(CC#N)CC2)c2ccccc12 863361744 QBRVHHJUTYLHFS-UHFFFAOYSA-N 266.344 3.954 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(OC(C)(C)C)c2)n(C)n1 865224127 OROMAORRDDIJHO-KTKRTIGZSA-N 298.386 3.802 30 20 CHED Cc1cccc2sc(NN=C3CCCOCC3)nc12 872419370 GFECTYRLXXSBQG-UHFFFAOYSA-N 275.377 3.573 30 20 CHED CN(C(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1ccc(C#N)c(Cl)c1 876168178 KQWCRFOLHLOVRY-COPLHBTASA-N 288.778 3.611 30 20 CHED CSCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 876464389 YHPYEYOVDKNTMF-UHFFFAOYSA-N 283.352 3.640 30 20 CHED C#CCCCCCCN[C@H](C)c1n[nH]c([C@@H](C)CC)n1 877474866 ICZBBNQZRSFYGI-UONOGXRCSA-N 276.428 3.553 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 878626173 OEWCJUOBZGRDTL-RDJZCZTQSA-N 287.403 3.625 30 20 CHED C=CC(C)(C)CC(=O)NCc1coc2ccccc12 878851790 SVWSHCDKXUZEKH-UHFFFAOYSA-N 257.333 3.651 30 20 CHED C=C1CCC(C(=O)N[C@@H]2CCC[C@H](SC)C2)CC1 889038281 YGLZCIIFBNVNCL-KGLIPLIRSA-N 267.438 3.523 30 20 CHED C=CCC1(O)CCN(C(=O)[C@@H](CC)CCCCC)CC1 899590530 GOBXHTBSGIIOKD-HNNXBMFYSA-N 281.440 3.523 30 20 CHED CCC(=NNc1cc(F)ccc1F)C1CCOCC1 901320186 LYVHXOVDRDNESH-UHFFFAOYSA-N 268.307 3.569 30 20 CHED CC[C@H](N[C@H](C)c1ccc[nH]1)c1cccc(C#N)c1 902889226 FBIZCFLJPWNJLO-DOMZBBRYSA-N 253.349 3.688 30 20 CHED N#CC1(CCCCOC(=O)c2ccc3ncoc3c2)CCC1 908979519 ZUFDHSBSVYWKDL-UHFFFAOYSA-N 298.342 3.849 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccco1 914498833 SYSXZORIUZGUIN-KTKRTIGZSA-N 294.354 3.603 30 20 CHED Oc1ccc(Cl)cc1/C=N/Cc1ccsc1 915980699 ZUUZKZKYBKBOTJ-VGOFMYFVSA-N 251.738 3.726 30 20 CHED CCCCCCCNC(=O)Nc1ccc(C#N)cc1 916987965 RPBJXAYKINSNDI-UHFFFAOYSA-N 259.353 3.650 30 20 CHED CC(=NNc1ncccc1Cl)c1ccc(F)cc1F 917549068 HXZHCQCRVINYSH-UHFFFAOYSA-N 281.693 3.849 30 20 CHED COc1cccc([C@H](C)/N=C\c2c(O)cccc2OC)c1 917558628 RXLKOICSALDABK-SJWFJVLYSA-N 285.343 3.590 30 20 CHED Cc1ccccc1NCCCOc1ccc(C#N)cc1 917801814 HCCVVUTUOLSSIZ-UHFFFAOYSA-N 266.344 3.748 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](C=C)CC 930991439 YAVVMJMUPKVLSL-HNNXBMFYSA-N 282.387 3.675 30 20 CHED CC(C)c1nc(-c2nnc(-c3ccc(C#N)cc3)o2)cs1 1117214410 RKOPBCVRSAPWQR-UHFFFAOYSA-N 296.355 3.855 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)c2csc(C#N)c2)C1 1117852838 NJDCJVDAPXUAKM-SDDRHHMPSA-N 276.405 3.564 30 20 CHED CCO[C@H](CC(=O)Nc1ccc(Cl)cc1C#N)C(C)C 1119425299 DLGWRXAKJXANBT-CQSZACIVSA-N 294.782 3.601 30 20 CHED C[C@H](C#N)COC(=O)c1ccc2c(c1)oc1ccccc12 1122647879 UTQZNJDTHVWXEL-LLVKDONJSA-N 279.295 3.902 30 20 CHED CC1(C)CC[C@@H]1Nc1c(Br)cccc1C#N 1163266148 SOEKGVZSJLZAEW-NSHDSACASA-N 279.181 3.921 30 20 CHED COCCN(CCC#N)[C@@H]1C[C@H](C)Sc2sccc21 1204497112 LXPNKHGOFYNNOA-WCQYABFASA-N 296.461 3.536 30 20 CHED CC1CCC(C)(CNC(=O)Nc2cccc(C#N)c2)CC1 1214487866 VTDJQXYVVOBEDM-UHFFFAOYSA-N 285.391 3.896 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@]1(C)CCCC[C@@H]1C 1215556507 OOOHCGFVLKPALC-GUYCJALGSA-N 285.391 3.957 30 20 CHED C=C[C@@H](COC)NC1CCC(c2ccccc2)CC1 1255026374 SPEHLFVSMYNIPA-CGZBRXJRSA-N 259.393 3.503 30 20 CHED Clc1ccccc1NN=C1CCCc2cccnc21 1256544124 XYYWODBZGDMNFB-UHFFFAOYSA-N 271.751 3.888 30 20 CHED C=C(CC)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 1263750989 OMADBRKZGWTYNI-ABAIWWIYSA-N 261.340 3.701 30 20 CHED CCc1ccc(C)nc1NC1CC(C#N)(c2ccccc2)C1 1308861946 LTTXJGLYSDMHEG-UHFFFAOYSA-N 291.398 3.988 30 20 CHED CC(=NNc1ccn(C)n1)c1cc(Cl)ccc1Cl 1320696850 RXIZDYNCHVLZKN-UHFFFAOYSA-N 283.162 3.563 30 20 CHED C=CC1CCN(C(=O)c2cc(C)n(CC3CC3)c2C)CC1 1322713015 WLFHEFKGJWKDLZ-UHFFFAOYSA-N 286.419 3.553 30 20 CHED C=CCC[C@@H](Nc1ccc(OCC#N)cc1)C1CC1 1323505999 RVHIPEMIDFWBOO-MRXNPFEDSA-N 256.349 3.746 30 20 CHED CCN(Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C 1327998885 NSEMUYXIMCKHPB-UHFFFAOYSA-N 282.334 3.780 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H](C)c1ccco1 1337552244 VABIVXFQWSFVLB-UONOGXRCSA-N 261.365 3.730 30 20 CHED CCO[C@H]1C[C@H](Nc2cccc(CC#N)n2)C12CCCCC2 1338243873 LPAMRAUAYHFIKK-HOTGVXAUSA-N 299.418 3.687 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1csc(C#N)c1 1344096492 SLWVGGRLIYFSSE-OCCSQVGLSA-N 296.395 3.638 30 20 CHED C#CC[C@@H](NC(=O)N1CC[C@@H]1C(C)(C)C)c1ccccc1 1345780147 TYAWEZFNOGJBPZ-HZPDHXFCSA-N 284.403 3.581 30 20 CHED CCc1ccc(C(=O)O[C@H](CC#N)c2ccco2)cc1 1346720642 VWFHENFFMRMKBP-OAHLLOKOSA-N 269.300 3.654 30 20 CHED C=C[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C)c1ccccc1 1347018651 NZSWFPQIPFKTPN-UBHSHLNASA-N 297.320 3.756 30 20 CHED CCN(C(=O)CCc1ccc(Cl)c(Cl)c1)[C@@H](C)C#N 1351271643 YQGUTSFYOCJSQZ-JTQLQIEISA-N 299.201 3.687 30 20 CHED C[C@H](OC(=O)c1cc(F)cc2ccoc12)C(C)(C)C#N 1358104761 JHFIIGAGGHKZQM-VIFPVBQESA-N 275.279 3.667 30 20 CHED CCc1ccc(F)cc1C(=O)N(CCC#N)C(C)(C)CC 1435976993 RUCXWQPHZIPYOF-UHFFFAOYSA-N 290.382 3.933 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)O[C@H](C)c1cccc(C#N)c1 1457762668 OQXOSLUMUAWTEU-GZBFAFLISA-N 271.360 3.989 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C#N)ccc1F)[C@@H]1CC1(C)C 1466788976 RRWJONBZLCUXBE-WCQYABFASA-N 289.354 3.644 30 20 CHED CCN(CCC#N)c1nc2c(C)cc(C)cc2s1 1472713852 XUHAAJRAIBXZFH-UHFFFAOYSA-N 259.378 3.653 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1cc(C#N)cs1 1533147983 LLTRLUBDFOBAOD-LBPRGKRZSA-N 278.421 3.956 30 20 CHED CC[C@H](CC(C)C)C(=O)Nc1ccc(C#N)cc1C(C)=O 1545002759 QLUGXQHZZRKFCF-CQSZACIVSA-N 286.375 3.772 30 20 CHED CCOC(=O)[C@H](Sc1ccc(C#N)c(C)c1)C(C)C 1559428878 AQTGXQQNQLTMLY-CQSZACIVSA-N 277.389 3.547 30 20 CHED N#C[C@@H]1CCCN(CCc2cccc(Cl)c2Cl)C1 1560129744 CJZSTWTWTAUHBR-NSHDSACASA-N 283.202 3.771 30 20 CHED C[C@H](CCC#N)CN1CCc2ccc(Br)cc21 1560745699 XIZICTQQQNQMAA-LLVKDONJSA-N 293.208 3.751 30 20 CHED N#Cc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)O)c(F)c1 1601113579 NMTWLAQMNLWYHE-NWDGAFQWSA-N 293.363 3.680 30 20 CHED N#Cc1ccc(SC[C@H]2CCCC[C@H]2C(=O)O)c(F)c1 1601113581 NMTWLAQMNLWYHE-VXGBXAGGSA-N 293.363 3.680 30 20 CHED C[C@H](C#N)CN(C(=O)C1CC(C)(C)CC(C)(C)C1)C1CC1 1631946071 KUFMNGVPZOOWOZ-CYBMUJFWSA-N 290.451 3.990 30 20 CHED C[C@H]1CC(=NC(=O)c2ccc(C3CCCCC3)cc2)NO1 1637841854 RRYRAEBITWGBLA-LBPRGKRZSA-N 286.375 3.586 30 20 CHED CCCC[C@H](CC)CCCN(C)c1ncncc1C#N 1642957801 JFPRSYBTRMJEFY-AWEZNQCLSA-N 274.412 3.781 30 20 CHED CC(C)C[C@@H](C)OC(=O)N1CCCC(C)(C)[C@H]1C#N 1655248404 NZRQEUOLNFOXID-CHWSQXEVSA-N 266.385 3.572 30 20 CHED COc1cc(OCc2ccc(Cl)cc2F)ccc1C#N 1656503729 KLILHDUSDNCBLB-UHFFFAOYSA-N 291.709 3.938 30 20 CHED CCN(Cc1ccc(C#N)s1)c1cccc(C)c1 1657593320 YXPZYULYXOERDA-UHFFFAOYSA-N 256.374 3.955 30 20 CHED CC(C)(C)C[C@@H]1CCN(Cc2cccc(F)c2C#N)C1 1660045823 NDPLOZGYUJDWMC-ZDUSSCGKSA-N 274.383 3.955 30 20 CHED Cc1c(NN=C2[C@H](F)CCC2(C)C)cccc1C(=O)O 1776089249 JCRMXLYQZSCTFG-LLVKDONJSA-N 278.327 3.619 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(CC(=O)O)cc2)cc1 1776114362 NJXHVFJXPMFHQP-FLIBITNWSA-N 280.323 3.518 30 20 CHED CCCCCCCCCn1c(=O)oc2cccnc21 103957203 FLHOQOWMFKUHMG-UHFFFAOYSA-N 262.353 3.740 30 20 CHED COc1ccc(C#N)cc1NCC1CCC(F)(F)CC1 417017773 PFZJEDLZCGNHMG-UHFFFAOYSA-N 280.318 3.804 30 20 CHED N#Cc1cccc(C(=O)N(CC(F)(F)F)C2CCCC2)c1 177530929 YDSKCLFFBYHZLL-UHFFFAOYSA-N 296.292 3.505 30 20 CHED C[C@H](N[C@@H]1CCc2ccccc2C1)c1cccc(C#N)c1 51630974 BTDBHLDTINNJQI-IFXJQAMLSA-N 276.383 3.766 30 20 CHED C[C@@H]1SCC[C@@H]1Nc1ccc(C#N)c(Br)c1 304411995 YCFRBSDWACRULE-UFBFGSQYSA-N 297.221 3.627 30 20 CHED N#CCC[C@H](C#N)COc1cc(Cl)ccc1Cl 119222400 ROZFGCFNPNTPLD-SECBINFHSA-N 269.131 3.816 30 20 CHED N#Cc1ccc(NCc2ccoc2)c(Br)c1 63047188 CUZHZRCSLLAWDS-UHFFFAOYSA-N 277.121 3.526 30 20 CHED N#Cc1ccc(NCc2ccc3c(c2)COC3)cc1Cl 349215749 QULQJTFLQJLOKT-UHFFFAOYSA-N 284.746 3.854 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1C 66414633 IUWWJAKMINFDSP-YOEHRIQHSA-N 284.403 3.528 30 20 CHED C=CCCCCNc1cc(-c2ccccc2)nc2ncnn12 302259085 PCGZLMCXKALESI-UHFFFAOYSA-N 293.374 3.560 30 20 CHED COc1ccc2cc([C@H](C)C(=O)O[C@H](C)CC#N)ccc2c1 113687456 WLJXROXQICDEFN-OLZOCXBDSA-N 297.354 3.797 30 20 CHED CC[C@@H](OC(=O)c1ccccc1OCC#N)c1ccccc1 113479755 ZWZVVRLATSHCQE-MRXNPFEDSA-N 295.338 3.897 30 20 CHED C=C(C)CN1CCC(NC(=O)C[C@H](CC)CCCC)CC1 117254638 TURMQFXXPVBSFI-MRXNPFEDSA-N 294.483 3.750 30 20 CHED Cc1cc(COc2ccc3[nH]ccc3c2)ccc1C#N 447325568 ODCMIHPEMKQLMU-UHFFFAOYSA-N 262.312 3.927 30 20 CHED N#Cc1ccc(N[C@@H]2CC[C@H](Cc3ccccc3)C2)cn1 302470472 CSMQQARLQLBMRT-HZPDHXFCSA-N 277.371 3.777 30 20 CHED COCc1cccc(/C=C2\CCOc3ccccc3C2=O)c1 172818545 JRUZNXRHZGGHBO-FOWTUZBSSA-N 294.350 3.882 30 20 CHED C[C@H](CCc1ccccc1F)C(=O)OCC1(CC#N)CC1 174753992 VRHFFHPIKPJEOH-CYBMUJFWSA-N 289.350 3.631 30 20 CHED CCC1(CC)CCCN(C(=O)[C@](C)(C#N)CC)CC1 355166785 NOBRBFNWQRPLLY-HNNXBMFYSA-N 264.413 3.745 30 20 CHED CCCCCCCCCNC(=O)Cc1csc(C)n1 128012769 MVXMXLMKADHJLT-UHFFFAOYSA-N 282.453 3.861 30 20 CHED Cc1cc(CN(CCC#N)Cc2ccco2)cs1 449004460 XPKIPGDBAWZMPK-UHFFFAOYSA-N 260.362 3.565 30 20 CHED C#CCCCCC(=O)NC1(c2ccc(F)cc2)CCCC1 120083021 YFMYFVKPDPATGJ-UHFFFAOYSA-N 287.378 3.905 30 20 CHED Cc1cccc([C@@H]2CCCCN2c2ccc(C#N)nn2)c1C 301957496 GDLUQFBZXCRCAH-KRWDZBQOSA-N 292.386 3.697 30 20 CHED C[C@@H](NC[C@@H](C)N(C)c1ccccc1)c1cccc(C#N)c1 181503692 UNFWNQGPZVRWSD-HZPDHXFCSA-N 293.414 3.734 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1nc(C(C)(C)C)cs1 184454792 QRAAMKGZNAETRW-NWDGAFQWSA-N 290.436 3.535 30 20 CHED C=C[C@H](CC(=O)NCc1ccccc1OC)c1ccccc1 122182225 UICFBRPXPXCWES-OAHLLOKOSA-N 295.382 3.671 30 20 CHED CC(=O)c1ccc(Cl)c(Cl)c1OCCCC#N 128764988 NXTVKYJEJBPCFU-UHFFFAOYSA-N 272.131 3.879 30 20 CHED COc1ccc(C#N)cc1NC[C@H](C)c1ccccc1 446815803 ZFVVZDXBIZRPLP-ZDUSSCGKSA-N 266.344 3.782 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@H]1CCC[C@H]1CC 410554464 ABGLGHZVDVUUIQ-KGLIPLIRSA-N 264.413 3.791 30 20 CHED COc1ccc(C#N)cc1CN1CCCc2ccccc2C1 317194734 KQOIOSRIBPTSFU-UHFFFAOYSA-N 292.382 3.515 30 20 CHED CC#CCCCC(=O)N[C@H]1CCSc2ccc(F)cc21 185071797 NRNAAKFZEYUFIB-AWEZNQCLSA-N 291.391 3.672 30 20 CHED CCC(CC)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)N1CCCC1 185772903 UATVPZJNTFBYPL-JQHSSLGASA-N 291.483 3.559 30 20 CHED CCC(CC)(CNc1c(C#N)cnc2ccccc12)OC 314657128 HRDNIHQLMBXTNP-UHFFFAOYSA-N 283.375 3.724 30 20 CHED C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)[C@@H]2CCCC[C@H]12 182945869 SCOCAWLDCREQEZ-KBRIMQKVSA-N 297.402 3.795 30 20 CHED CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccncc1 181805944 WUCRJYBEIZDTCQ-KSSFIOAISA-N 295.386 3.786 30 20 CHED CC[C@H](NCCCC1(C#N)CCOCC1)[C@@H]1CC1(C)C 419317214 ROASPQVGNXUCBM-GJZGRUSLSA-N 278.440 3.501 30 20 CHED N#Cc1ccc(F)c(CNc2nc3ccccc3s2)c1 78474742 RFHVHGGPACGYHM-UHFFFAOYSA-N 283.331 3.919 30 20 CHED Cc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 75299800 PUJFLWXXERPTBF-HOTGVXAUSA-N 294.354 3.500 30 20 CHED CC[C@H](CC#N)NC(=O)CCC(C)(C)c1ccccc1 183799422 MUDORXSPSIIASE-OAHLLOKOSA-N 272.392 3.553 30 20 CHED C[C@H](C#N)Sc1ccc(C#N)c(C(F)(F)F)c1 180388866 NHKUHAGRNCPIQM-SSDOTTSWSA-N 256.252 3.581 30 20 CHED C=CCNC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 77518470 RFNCTVQENCEYJW-CQSZACIVSA-N 272.392 3.745 30 20 CHED N#Cc1cccc(CN2CCC(c3ccsc3)CC2)c1 186924333 SXKCPEZGTAWYPP-UHFFFAOYSA-N 282.412 3.999 30 20 CHED C[C@@H](CCC#N)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 412077849 UAYSQGZCAMZELY-LSDHHAIUSA-N 294.439 3.513 30 20 CHED Cc1c(C(=O)/C=C/c2cc(F)cc(F)c2)cnn1C(C)C 188889803 VAFMPKBLSVRUBD-SNAWJCMRSA-N 290.313 3.947 30 20 CHED CC[C@H](C#N)Sc1ncc(-c2ccc(F)cc2)o1 127387818 MLKWAFJWMUYLMO-LLVKDONJSA-N 262.309 3.875 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCOC2(CCCCC2)C1 75831795 AHNNQDZPRRRNEP-OAHLLOKOSA-N 284.403 3.654 30 20 CHED Cc1ccc2c(OCCC(C)(C)C#N)cccc2n1 410317753 FKCRFWNTACSNQG-UHFFFAOYSA-N 254.333 3.862 30 20 CHED C=CCn1c(C)nnc1SCC1CCC(C)CC1 184139954 ZBGDJMRCMHNCQH-UHFFFAOYSA-N 265.426 3.691 30 20 CHED CC#CCCCC(=O)Nc1cccc(CN2CCCCC2)c1 185073265 MHDJMVJJMGEXAS-UHFFFAOYSA-N 298.430 3.805 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)CCCC 503490088 VNMJEVOBDCYMPW-HNNXBMFYSA-N 284.403 3.899 30 20 CHED O=[N+]([O-])c1ccc(Cl)c(C=NOCc2ccccc2)c1 310002399 FRSYPKXUPJCZJQ-UHFFFAOYSA-N 290.706 3.799 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCc2c(C)cccc21 131123307 AVORZLHMEWDKNF-QGZVFWFLSA-N 269.388 3.867 30 20 CHED CCS[C@H]1CCC[C@H](Nc2ncc(C#N)cc2F)C1 413172881 OMEIBFMFVUCKFW-RYUDHWBXSA-N 279.384 3.569 30 20 CHED C=CCCCCNC(=O)Nc1ccc2c(c1)CCCN2 415884456 DWWHYMGEWWFDCY-UHFFFAOYSA-N 273.380 3.523 30 20 CHED CC(C)N(C)Cc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 185881556 FLFUXNRGJRKBRA-QFBILLFUSA-N 299.462 3.699 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)Oc1ccc(SC)cc1 410124193 VXFUTLHMTUPYAJ-OLZOCXBDSA-N 293.432 3.647 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)Cc1ccc(Cl)cc1 343020559 RBUFIFITGMNECG-UHFFFAOYSA-N 292.810 3.671 30 20 CHED Cc1cccc(CN(C)Cc2ccc(F)cc2C#N)c1 343732484 LXPRNZZFXGIMTH-UHFFFAOYSA-N 268.335 3.638 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(-c2ccccc2)cn1 185240961 YAJXXNVVCNHCTE-UHFFFAOYSA-N 278.355 3.737 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N(C)CC(F)(F)F 410154192 LXDKURDFUQFKPI-UHFFFAOYSA-N 292.345 3.669 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2F)C1 617783247 WRRSFRBYZVONLM-LLVKDONJSA-N 281.758 3.907 30 20 CHED CC#CCCCC(=O)Nc1c(OC)cccc1SC 416121802 LPUHQDOFIRGFNL-UHFFFAOYSA-N 277.389 3.549 30 20 CHED COc1ccc(N=C(O)C2CCC(=O)CC2)c2cccnc12 329822569 HERKYUJXECJALF-UHFFFAOYSA-N 298.342 3.591 30 20 CHED Cc1nccc(N/C(O)=N/[C@H](C)c2cc(C)sc2C)n1 329640598 ZVQLGVKJUJMCGM-SECBINFHSA-N 290.392 3.550 30 20 CHED N#CCCCSCc1ccn(-c2c(F)cccc2F)n1 190986305 YBGFDRXHRITYGN-UHFFFAOYSA-N 293.342 3.687 30 20 CHED N#Cc1ccccc1COc1ccc(Cl)c(F)c1 133225993 ZKIKSDCYLWJOGV-UHFFFAOYSA-N 261.683 3.930 30 20 CHED Cc1cccc(C)c1CSc1cc(C#N)ccn1 133460861 GWPRHLUVEJKYPW-UHFFFAOYSA-N 254.358 3.862 30 20 CHED O/C(=N/[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CCCc2n[nH]cc21 329906932 SOLBEBXRQWRQLP-DVOMOZLQSA-N 287.407 3.755 30 20 CHED C=CCSCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 44403753 HJUDQRTZDXFEEE-ZDUSSCGKSA-N 283.824 3.827 30 20 CHED CCCC[C@H](CCC)NC(=O)NCc1ccc(C#N)s1 420800172 JHWFCONDGLGSFL-LBPRGKRZSA-N 293.436 3.778 30 20 CHED CC(C)[C@@H]1CCC[C@H](/N=C(/O)[C@H]2CCc3n[nH]cc3C2)C1 328884925 YUZHRXRSDGUSQH-IPYPFGDCSA-N 289.423 3.686 30 20 CHED C[C@H]1CC[C@H](/N=C(/O)c2cc(O)nc(C3CC3)c2)CC1 329929137 NDJPXALVWZLUNJ-MJHDQNEOSA-N 274.364 3.548 30 20 CHED CC(C)N(C)c1cccc(NCc2ccc(C#N)o2)c1 131706520 RMMWNMRCMMKFPN-UHFFFAOYSA-N 269.348 3.608 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccc(OC)cc1 45016006 YXCZJHXAKSQQIX-RAXLEYEMSA-N 282.339 3.990 30 20 CHED C=C(C)C(C)(C)C(=O)N1C[C@H]2CCCCN2c2ccccc21 425604399 KGBHEHVNVUEHSJ-OAHLLOKOSA-N 298.430 3.994 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C[C@H](O)c1ccccc1 47740207 AELBLHZJICCQTK-IBGZPJMESA-N 294.398 3.504 30 20 CHED N#CC1(C(=O)NCc2cc3ccccc3o2)CCCCC1 516705736 DLQPHAJGWCLCTI-UHFFFAOYSA-N 282.343 3.523 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@H](C)c1cccc(C)c1 424673163 AGOGOMBUDUMAHQ-AWEZNQCLSA-N 259.393 3.817 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)c(OCC)c1 190732917 LYJXGISVQCDOOT-INIZCTEOSA-N 277.364 3.635 30 20 CHED C=CCN(CC=C)C(=O)C1(c2ccc(F)cc2F)CCC1 193126060 CYOLTHWUSKXGET-UHFFFAOYSA-N 291.341 3.587 30 20 CHED C=CC[C@H](C)N[C@@H](c1ccc(OC)cc1F)C1CC1 421844991 PIMIIMSZKJTDEG-MEDUHNTESA-N 263.356 3.840 30 20 CHED Cc1oc(C#N)cc1C(=O)N(c1ccccc1)C(C)C 335540098 PYGKOWRVXXPNAN-UHFFFAOYSA-N 268.316 3.515 30 20 CHED Cc1cscc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 334195007 KARBPWHMTZNCAB-CYBMUJFWSA-N 290.775 3.705 30 20 CHED C[C@H](CC1CCCCC1)C(=O)NCC#Cc1ccccc1 510136717 RXVJYLRMIUTEGC-MRXNPFEDSA-N 283.415 3.761 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2cccc(C)c2F)no1 518615782 XLOYSBJQSXTBAY-MRXNPFEDSA-N 290.338 3.664 30 20 CHED Cc1cc(=N[C@@H](C)c2cccc(OC(C)C)c2)c(C#N)c[nH]1 425212267 ZQTPNMKJOYLWSL-AWEZNQCLSA-N 295.386 3.644 30 20 CHED CCCc1ccc(C(=O)NCc2ccc(C#N)s2)cc1 421604211 YDTXJBJXWXCZMM-UHFFFAOYSA-N 284.384 3.502 30 20 CHED C=C(C)C(C)(C)C(=O)NCC(C)(C)c1ccccc1F 424640498 NLVCABLYFLAPNZ-UHFFFAOYSA-N 277.383 3.822 30 20 CHED C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)[C@H](C)CC 424251994 RAWXCPAZKAHGAV-CHWSQXEVSA-N 294.468 3.657 30 20 CHED CC(C)CC(CC(C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1 424964455 GFEJSCAWSXSDTK-DZGCQCFKSA-N 264.413 3.503 30 20 CHED C[C@H](c1ccccn1)N(C)CC#Cc1cccc(Cl)c1 91704073 ZBHURHPUMQARGS-CQSZACIVSA-N 284.790 3.780 30 20 CHED CCOc1ccc(CNc2cccc(C#N)c2)cc1OCC 236974472 PSZZEDPUSYYKAX-UHFFFAOYSA-N 296.370 3.968 30 20 CHED CC[C@H]1CCCN(C(C)(C)CNCc2ccc(C#N)cc2)C1 237053940 IQTSTYWDFMROBR-INIZCTEOSA-N 299.462 3.548 30 20 CHED CSCCCCCNc1nc(Cl)c(C#N)s1 235195945 DUEKGYKJXVADNT-UHFFFAOYSA-N 275.830 3.613 30 20 CHED Cc1c(NC(=O)[C@]2(C#N)C[C@H]2C)cccc1C(F)(F)F 336191796 KXAUJPWWFNIRKN-OQPBUACISA-N 282.265 3.502 30 20 CHED CCc1ocnc1/C(O)=N/[C@@H]1CCCC[C@H]1CC 330875466 ZSYMYJSFEUTBMK-GHMZBOCLSA-N 250.342 3.510 30 20 CHED C=CCCCC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 438352778 COTXQASSNJLQNO-RYUDHWBXSA-N 277.330 3.828 30 20 CHED CCOc1ccc(N=C(O)NC2(C)CCCC2)cc1F 330598821 WRWHHEJIMLRNLS-UHFFFAOYSA-N 280.343 3.692 30 20 CHED C=CC[C@@H]1N(C(=O)c2c(O)cccc2F)CCCC1(C)C 436818536 VREQIAQGFAVNOP-AWEZNQCLSA-N 291.366 3.738 30 20 CHED CC1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCCCCC1 333609345 WKUKWWCFTPFUCA-GOSISDBHSA-N 288.435 3.937 30 20 CHED N#CCc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 332600532 NFAWYAQYOIWPMG-LZLYRXPVSA-N 296.414 3.841 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccc(F)cc1F 435662307 CTPBTRZVWJBSPW-ZLIFDBKOSA-N 295.373 3.987 30 20 CHED C[C@H](CCCCO)Nc1ccc(C#N)c(C(F)(F)F)c1 296319404 OEHPHBXWQLQUTQ-SNVBAGLBSA-N 286.297 3.540 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC3(CCCC3)C2)cc1 93336595 YZZVTGFSLPEMTO-OAHLLOKOSA-N 284.403 3.744 30 20 CHED C[C@@H](CC1CCOCC1)CN(CCC#N)CC(C)(C)C 349964646 JYBAVYZCWRQXAG-HNNXBMFYSA-N 280.456 3.701 30 20 CHED C=CCNC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 434200628 JXCFZRRGHHDVIT-VIFPVBQESA-N 299.201 3.808 30 20 CHED N#CCCN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 342845683 KDDJDKMNCILIJP-KBPBESRZSA-N 282.309 3.845 30 20 CHED C=CCOc1ccccc1C(=O)N1CCCC2(CCC2)C1 347919575 RUNHOTGKBNOFAL-UHFFFAOYSA-N 285.387 3.658 30 20 CHED CCN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCCC[C@@H]1C 340119386 BBZNNJBDOHCPIF-YOEHRIQHSA-N 284.403 3.793 30 20 CHED CCN(CC)c1ccc(C=Nc2ccc(OC)cc2)c(O)c1 249828144 NYPCDRKNIFEYNK-UHFFFAOYSA-N 298.386 3.998 30 20 CHED CC(C)CN(Cc1ccncc1)c1ccc(C#N)cc1 438915693 DOJCIFGAEBIQES-UHFFFAOYSA-N 265.360 3.616 30 20 CHED N#Cc1ccc(CNC2(c3ccccc3)CC2)c(Cl)c1 439447781 GGXAKTMGXQYDRK-UHFFFAOYSA-N 282.774 3.991 30 20 CHED CC#CCCNC(=O)Nc1cc(Cl)c(Cl)cc1F 439961118 YWBBZRSMYAZGGU-UHFFFAOYSA-N 289.137 3.667 30 20 CHED Cc1ccc(C#N)c(NC[C@H](C)c2ccc(F)cc2)n1 346840516 RXGFPCHOLCPTHI-NSHDSACASA-N 269.323 3.616 30 20 CHED C#C[C@H](NC(=O)C1(c2cccc(Cl)c2)CCC1)C(C)C 700599989 ITAMLHNNWAYVIP-HNNXBMFYSA-N 289.806 3.536 30 20 CHED N#Cc1ccc(CNc2cc3c(cn2)CCCC3)s1 359471551 ZSKVRFALURUBGQ-UHFFFAOYSA-N 269.373 3.506 30 20 CHED C=CCSc1ccccc1C(=O)Nc1nc(C)cs1 357853842 PWMTVPWRJSCHNT-UHFFFAOYSA-N 290.413 3.982 30 20 CHED C=CCCCCNC(=O)Nc1cnn(-c2ccccc2)c1C 352854093 WQDWDHRVJGDIQT-UHFFFAOYSA-N 298.390 3.659 30 20 CHED C=C(CC)CNCc1cccc(OCc2ccccn2)c1 449732071 KUJPGESJFSBDDH-UHFFFAOYSA-N 282.387 3.716 30 20 CHED C[C@@H]1c2ccccc2OCCN1Cc1cccc(C#N)c1 609145763 NWPWZUMPTFYGSM-CQSZACIVSA-N 278.355 3.514 30 20 CHED CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccncc1 353271453 YMWDHWPMXRBPOO-MSOLQXFVSA-N 277.371 3.681 30 20 CHED Cc1ccc(O[C@H](C)CN[C@H](C)c2ccc(C#N)cc2)cc1 538392977 FQIIJOBROVKOAT-HZPDHXFCSA-N 294.398 3.985 30 20 CHED CC1(C)CN(c2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 440665799 NMFDIUIMRLLIQP-GJYPPUQNSA-N 296.414 3.732 30 20 CHED C=CC[C@H]1N(Cc2nnc(OCC)s2)CCCC1(C)C 444774245 HYTIXOTYCFRWAH-GFCCVEGCSA-N 295.452 3.504 30 20 CHED CC#CCSc1nc2ccc(C(F)(F)F)cc2[nH]1 608101942 AODDJPSXYDJEGT-UHFFFAOYSA-N 270.279 3.697 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1ccc(C)cc1C 539431174 WYZONNPHCCDXNJ-OAHLLOKOSA-N 275.392 3.543 30 20 CHED C[C@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CC(C)(C)C1 356741368 RMKKEYVQEGSJAI-WBVHZDCISA-N 298.430 3.969 30 20 CHED Cc1ccc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)o1 350193961 QZXBEAFQTXUMNX-CQSZACIVSA-N 293.326 3.878 30 20 CHED CC[C@@H](NC(=O)c1cc(C#N)oc1C)c1cc(C)ccc1C 530098397 UTVJDHYWKPPWPI-QGZVFWFLSA-N 296.370 3.958 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 617777748 WBHUCRFKSOWTHD-SUMDDJOVSA-N 283.415 3.995 30 20 CHED C=CCC1(CN[C@@H]2CCO[C@@H](C(F)(F)F)C2)CCCC1 449606259 QDDFORLZSRZKPV-CHWSQXEVSA-N 291.357 3.822 30 20 CHED C=CC[C@@H](C)N[C@@H](Cc1ccncc1)c1ccc(OC)cc1 353627161 ZAHDVRQQDYUJNQ-BEFAXECRSA-N 296.414 3.928 30 20 CHED C=CCC1(NC(=O)C[C@@H](CC)CCCC)CCOCC1 618248156 XHHYNPVGDFYOSN-HNNXBMFYSA-N 281.440 3.834 30 20 CHED C=CCCC1(C(=O)N(C)c2ccc3cc[nH]c3c2)CC1 357156884 RZQIJPQJUAPONY-UHFFFAOYSA-N 268.360 3.877 30 20 CHED CCC(CC)(CC)C(=O)N(C)Cc1ccc(C#N)cc1 610753438 CQGYWUGSJSOECK-UHFFFAOYSA-N 272.392 3.733 30 20 CHED CC(C)C[C@H]1C[C@H](Nc2c(F)cc(C#N)cc2F)CCO1 539611563 MGZFICYCZIESNE-OLZOCXBDSA-N 294.345 3.842 30 20 CHED C=CCOCC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 534048571 YGTBFJRIABWUIQ-KRWDZBQOSA-N 287.403 3.676 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccccc2OC(C)C)C1 617784684 XLTGXLPZRRBPAR-HNNXBMFYSA-N 287.403 3.902 30 20 CHED Cc1ccc(CN(Cc2ccc(C#N)s2)C2CC2)o1 611254268 KJZKXLFJXWAKLT-UHFFFAOYSA-N 272.373 3.686 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NCC(C)(C)CC#N 457992484 LBVTZKQBFAKNMT-LBPRGKRZSA-N 252.402 3.505 30 20 CHED CC(C)(C#N)CN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 613540420 WATNDBASNHIPGH-HUUCEWRRSA-N 260.356 3.601 30 20 CHED CC(=O)Nc1c(C)ccc(N[C@@H]2CCC[C@H](C#N)C2)c1C 618574283 WBJVWIGYDTZOOL-LSDHHAIUSA-N 285.391 3.756 30 20 CHED CCCCc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 610659715 PNOYONNYXKHZSC-OAHLLOKOSA-N 272.392 3.697 30 20 CHED CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 452643327 JAWQDFOWLNCVEJ-ABAIWWIYSA-N 276.767 3.781 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCC[C@@H]1CCCCO1 360874432 SUFVBEAZYREASL-HKUYNNGSSA-N 298.430 3.875 30 20 CHED C=CCC1(NC(=O)Cc2cccc(C)c2)CCCC1 619104768 VUNDYJGNRVCUDF-UHFFFAOYSA-N 257.377 3.543 30 20 CHED C=C(C)[C@@H](Cc1nc(-c2cscc2C)no1)OCC 278023750 RONIVDMOQASYEX-GFCCVEGCSA-N 278.377 3.630 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)Cc1cccc(C)c1 540489267 RAWRZNFXMHDNSW-HNNXBMFYSA-N 274.408 3.881 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CC2(CCCC2)[C@H]1C(C)C 457105137 CJBIPOSEGRORHS-NVXWUHKLSA-N 293.451 3.642 30 20 CHED CC[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(C#N)cc1 278771128 PFMFVPCUXCOUIH-RTBURBONSA-N 294.398 3.723 30 20 CHED C[C@H](CN(CCC#N)Cc1cccnc1)c1ccc(F)cc1 275757336 UHAQWYMEBUTXKU-OAHLLOKOSA-N 297.377 3.740 30 20 CHED CCC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 364690581 LSXCDJGSNMWGQO-CYBMUJFWSA-N 278.355 3.812 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2ccc(F)cc2F)no1 273879089 UQOXQYDCRWTWRS-JTQLQIEISA-N 294.301 3.592 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@H]1C(C)C 459287404 RZFDWBZOYVWIBR-GOEBONIOSA-N 290.382 3.568 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(F)c(C(F)(F)F)c1 278212648 HCZGKKVMAUPFNG-UHFFFAOYSA-N 288.244 3.723 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 455317223 WOSQIWRTMCNVPR-NSHDSACASA-N 282.334 3.633 30 20 CHED C=CC(C)(C)c1nc([C@H](OCC)c2ccccc2)no1 453163732 JHEFETUPLLKYDY-CYBMUJFWSA-N 272.348 3.659 30 20 CHED C[C@H](N[C@@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(C#N)cc1 367578859 XNZLBNLDTUHBLL-IUUKEHGRSA-N 296.345 3.870 30 20 CHED Cc1cc(F)ccc1[C@H]1CCCN1c1ccnc(C#N)c1 450906703 DWEMDJPNVRJDKT-QGZVFWFLSA-N 281.334 3.742 30 20 CHED CC(C)(C)CC(=O)Nc1ccc(CC#N)cc1Cl 452650270 VHSOOHJGDNQNPY-UHFFFAOYSA-N 264.756 3.781 30 20 CHED Cc1cc(CNC(=O)Nc2cccc(C#N)c2)ccc1Cl 544502117 HZSKHDWYDOTVEN-UHFFFAOYSA-N 299.761 3.842 30 20 CHED Cc1nc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cs1 455986872 DRXDTBMFCZAYBC-UHFFFAOYSA-N 299.399 3.531 30 20 CHED C=CC[C@H](CC)NC(=O)NCC1(c2cccc(F)c2)CC1 543115334 LXYPTYTXRAJEQW-HNNXBMFYSA-N 290.382 3.511 30 20 CHED C=C(C)[C@H](Cc1nc([C@H](C)C(C)(C)C)no1)OCC 545736054 ZDZBYILTMDDIIG-RYUDHWBXSA-N 266.385 3.743 30 20 CHED CC(C)CCc1nc(CN2CCC(CC#N)CC2)cs1 543811690 WGWCIRKVIFQMAO-UHFFFAOYSA-N 291.464 3.857 30 20 CHED C[C@@H](C(=O)N1CCCC(C)(C)CC1)c1cccc(C#N)c1 462145656 HYVITOGFDRJCJR-CQSZACIVSA-N 284.403 3.700 30 20 CHED Fc1ccc(-n2nc(CON=C3CCC3)c3c2CCC3)cc1 271281512 BYFYVRSJUDRJRV-UHFFFAOYSA-N 299.349 3.557 30 20 CHED COCCN(CCCc1ccccc1)CCC(C)(C)C#N 540688205 OYVAMOVYGLAXPW-UHFFFAOYSA-N 288.435 3.507 30 20 CHED C=CCCN(C)C(=O)N[C@H](c1ccc(F)cc1F)C(C)C 466767994 QSXIWFMVMWATEF-HNNXBMFYSA-N 296.361 3.879 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1CC 464717631 YTIOYJXRRIUXKM-OAHLLOKOSA-N 276.336 3.698 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ncc(-c2ccccc2)o1 281083454 OCJYPLRBLCXXNS-HNNXBMFYSA-N 298.386 3.745 30 20 CHED CC[C@](C)(C#N)c1nc(C2(c3ccccc3)CCC2)no1 289723280 NGNYADQROVJSTD-MRXNPFEDSA-N 281.359 3.731 30 20 CHED N#Cc1cc(F)ccc1N1CC[C@H](c2cccc(F)c2)C1 462827138 TXBIKWDSQYBCBT-ZDUSSCGKSA-N 284.309 3.830 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 554810363 LQNCUYDYHMQASO-LOWVWBTDSA-N 290.329 3.506 30 20 CHED C[C@@H](NC[C@H]1CCC(F)(F)C1)c1ccc(C#N)c(F)c1 281282973 ZJPFLXZNLPACCQ-MNOVXSKESA-N 282.309 3.783 30 20 CHED N#Cc1ccncc1N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 282143906 BDKVLRVTGKXSCR-BCDXTJNWSA-N 289.382 3.868 30 20 CHED CC(C)N(CCC#N)Cc1cnc(-c2ccco2)s1 559125670 CJMLHBDPYSIKRB-UHFFFAOYSA-N 275.377 3.527 30 20 CHED C#C[C@@H](NC(=O)c1ccccc1SC(C)C)C(C)C 281948669 IBIWYAXGRKZUEP-CQSZACIVSA-N 275.417 3.575 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 466130189 ONPPOOADVSKCLJ-OWCLPIDISA-N 276.424 3.563 30 20 CHED C[C@@H]1CC[C@@H](c2ccccc2)N(c2ncccc2C#N)C1 553337737 TVHYQOMIBBSYJO-PBHICJAKSA-N 277.371 3.931 30 20 CHED C=C(C)CNC(=O)c1ccc(OCCC)cc1OCCC 469806300 DMIRXMCIBHGCOM-UHFFFAOYSA-N 291.391 3.570 30 20 CHED C=C(C)CCc1noc(C2=Cc3cc(OC)ccc3OC2)n1 285272858 YWHSBTPNPCBMRT-UHFFFAOYSA-N 298.342 3.520 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 280882406 NIPQBHVXGCGSDD-DLBZAZTESA-N 284.403 3.733 30 20 CHED C=CCOCCCSc1ccc(C#N)cc1Cl 475985372 GUQQPSSTNUNKMG-UHFFFAOYSA-N 267.781 3.896 30 20 CHED CC(C)c1ccc(SCC(=O)N[C@H](C#N)C(C)C)cc1 470154175 DACVTGVWXMFHMR-OAHLLOKOSA-N 290.432 3.566 30 20 CHED C=C(C)[C@H](CC(=O)NCc1cccc(C(C)C)c1)OCC 475981454 CMEPVUHQBBCHBB-KRWDZBQOSA-N 289.419 3.798 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(C)oc1C 809702588 WEYRTMZYNINROJ-UHFFFAOYSA-N 289.375 3.560 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)Cc2nc(Cl)ccc21 806580056 ZGHZQCPIOUBZHG-OQFOIZHKSA-N 291.684 3.836 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1-c1nc(C(C)C)no1 479250389 SLDJNLMFMYFUMI-UHFFFAOYSA-N 299.374 3.508 30 20 CHED CC#CCCCC(=O)N1C[C@H]2CCCCN2c2ccccc21 294513290 YLMIJZCLOZFHOO-MRXNPFEDSA-N 296.414 3.586 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC)c1ccccc1 299410507 BKQAZLWISOXJPU-HNNXBMFYSA-N 258.365 3.521 30 20 CHED C[C@H]1C[C@H](CCNc2snc(Cl)c2C#N)C[C@@H](C)O1 801673643 CEOZLZBVIMQXIS-ILWJIGKKSA-N 299.827 3.674 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(N2CCCCCC2)cc1 806501823 GKDGKLUYCISANX-OAHLLOKOSA-N 299.418 3.600 30 20 CHED C=CCC[C@H](O)CN(C)[C@@H](C)Cc1ccc(Cl)cc1 472589467 JHLIXMXCOVYEQR-BBRMVZONSA-N 281.827 3.530 30 20 CHED C[C@@H]1CC(=NNc2cccc(C(=O)O)c2)c2ccccc21 807943276 DZIRSHKMVTYLEH-LLVKDONJSA-N 280.327 3.708 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)C(F)=C2CCCC2)cc1 809257759 JWARFBLPQJMCGM-HNNXBMFYSA-N 286.350 3.727 30 20 CHED C=CC(C)(C)c1nc(-c2ccc(N3CCCCC3)nc2)no1 295901707 LLXBYKPLOBVWGM-UHFFFAOYSA-N 298.390 3.586 30 20 CHED C=C(C)CN(C)C(=O)c1ccccc1CCC(F)(F)F 479284106 MMFJZGVOMFPRIS-UHFFFAOYSA-N 285.309 3.830 30 20 CHED C=CCN(CCc1ccncc1C)Cc1ccc(OC)cc1 568994776 HDZGLXMQBHTWSO-UHFFFAOYSA-N 296.414 3.629 30 20 CHED C#Cc1ccc(CN(C)[C@@H](C)c2sc(C)nc2C)cc1 809572440 NAPLIQOCAULEFF-ZDUSSCGKSA-N 284.428 3.934 30 20 CHED CC(C)Oc1cc(N[C@@H](CCC#N)c2ccccc2)ncn1 298876782 KQWXDHHZMJTKFH-HNNXBMFYSA-N 296.374 3.721 30 20 CHED CCOc1cccc(/C=N/[C@@H]2c3ccccc3O[C@@H]2C)c1O 809143110 MCUDQAMLYBUTAC-NONUJWSISA-N 297.354 3.732 30 20 CHED CC#CCCCC(=O)N1CCCC(CC)(CC)CC1 470709124 GIVVOFWWWZYQQY-UHFFFAOYSA-N 263.425 3.999 30 20 CHED C#C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(C)(C)C 807878436 PVTGBLXTBCCLPG-MRXNPFEDSA-N 281.355 3.724 30 20 CHED N#CC1(C(=O)Nc2ccc3c(c2)CCCC3=O)CCCCC1 569197444 IIDDBLDDFJDQRA-UHFFFAOYSA-N 296.370 3.618 30 20 CHED C#CCCCC(=O)N(CCCC)[C@H](C)CCCC 818923562 CKQCYQINDKBRSR-OAHLLOKOSA-N 251.414 3.997 30 20 CHED COc1cc(F)cc(NN=C2CC[C@@H]2C2CCC2)c1 814872219 GJVBKTYLSTXREE-CQSZACIVSA-N 262.328 3.812 30 20 CHED CO[C@@](C)(C=NNc1ccccc1C(F)(F)F)C1CC1 814688744 KTUPHAIJFJSROT-ZDUSSCGKSA-N 286.297 3.918 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CC(C)(C)OC1(C)C 488048896 OSMPGIJUBIBSOO-CQSZACIVSA-N 296.455 3.720 30 20 CHED C[C@H](NN=Cc1ccc(Br)o1)c1ccccc1 814815284 SALPDLYVHSZCBE-JTQLQIEISA-N 293.164 3.727 30 20 CHED C=CCCCCCNC(=O)c1cc(C(C)C)nn1CC 654070159 UJVQXBPQFQRKHW-UHFFFAOYSA-N 277.412 3.503 30 20 CHED Cc1cccc(NC(=O)Nc2ccc(C#N)c(F)c2)c1C 577446483 YYHLVLJFPFIRFN-UHFFFAOYSA-N 283.306 3.958 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(O)c(CC)c2)c1 813439464 UUVQNLHHIOEZGO-UHFFFAOYSA-N 293.366 3.603 30 20 CHED O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1=NOCC1CC1 814243043 CAJZSCXHIBIDNS-ZDUSSCGKSA-N 288.347 3.720 30 20 CHED CC(=NOCCOC(C)C)c1ccc(OC(C)C)cc1 812238620 BDHNKGOFJRDPKJ-UHFFFAOYSA-N 279.380 3.639 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(C(C)C)cn2)cc1 810600220 WWRZYOVPOWYVMG-UHFFFAOYSA-N 297.354 3.989 30 20 CHED C=CCCCCOC(=O)c1cn(CCCC)nc1C 811009181 SFVGWBLFEUHRJZ-UHFFFAOYSA-N 264.369 3.505 30 20 CHED COc1cc(NCc2ccc(C#N)c(F)c2)c(C)cc1C 480287435 JQEIRUPBAVNTQI-UHFFFAOYSA-N 284.334 3.935 30 20 CHED C=CCN(CCOC)Cc1cc(C)c(C)cc1OC(F)F 483401580 FLGQOPJRLPPCGN-UHFFFAOYSA-N 299.361 3.539 30 20 CHED Fc1ccc2oc(C=NOC/C=C/Cl)cc2c1 811671220 OLFZWMQVXNQFQV-PQDUEGSOSA-N 253.660 3.675 30 20 CHED O=[N+]([O-])c1ccc(NN=Cc2ccsc2)c(Cl)c1 727649722 LQRWPYDRJPFTEI-UHFFFAOYSA-N 281.724 3.756 30 20 CHED CCC(=NNC1CCCC1)c1ccc(F)cc1F 814833054 VXUVJWRHRNKTII-UHFFFAOYSA-N 252.308 3.611 30 20 CHED CC[C@@H](Cc1ccccc1)/N=C/c1c(O)cccc1OC 727781451 NPLPORYDTVGSTB-SJPXOZHESA-N 283.371 3.841 30 20 CHED CC1(C)CC[C@@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 571906191 XMNXKMYYLKNOIP-AWEZNQCLSA-N 296.330 3.615 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2cscc2C)cc1 579727246 CEMXCIJEQZMRNR-MRXNPFEDSA-N 298.411 3.956 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCCOCC1CCOCC1 657886615 GEIHAPUCSAKHDT-MSOLQXFVSA-N 295.467 3.544 30 20 CHED c1ccc2nc(NN=C3CCCCCC3)cnc2c1 727258427 JGECVLJRDQWSSW-UHFFFAOYSA-N 254.337 3.752 30 20 CHED C=C(C)CS(=O)(=O)N1C[C@H](C(C)(C)C)c2ccccc21 579061074 BZXSEVNLQHOKDO-AWEZNQCLSA-N 293.432 3.542 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ncccc2OC(C)C)no1 664993578 UPVDOSVMZAKSET-MRXNPFEDSA-N 287.363 3.773 30 20 CHED N#CC1(N(C(=O)c2cc3cccc(F)c3o2)C2CC2)CCC1 585748616 ZIIIFRGTCLIZLE-UHFFFAOYSA-N 298.317 3.623 30 20 CHED CC1(CC(=O)N(O)Cc2ccc(F)cc2)CCCCC1 901371582 FCSXUSGQVHPFLD-UHFFFAOYSA-N 279.355 3.904 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C/C=C/C 492679740 PFMWGBRNJJPXNL-RKEQOFPCSA-N 255.361 3.724 30 20 CHED O=C(C#Cc1cccs1)N1CCC[C@@H]1c1cccs1 823824831 ACNCUEUMCMKGCG-CYBMUJFWSA-N 287.409 3.525 30 20 CHED CC#CCCNCc1ccc(OCC(C)C)c(OCC)c1 499219214 ZPBKRYCEXYHAPD-UHFFFAOYSA-N 289.419 3.623 30 20 CHED CCCCCN(C(=O)c1cc(C#N)ccc1F)C(C)C 822989912 BSEQWQCXMUPSAO-UHFFFAOYSA-N 276.355 3.738 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1 822764703 QHIWGVPAZKBJRH-CHWSQXEVSA-N 289.375 3.504 30 20 CHED CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cccc(C#N)c1 903010392 LEHSEFYEFPCLOM-KCXAZCMYSA-N 280.375 3.501 30 20 CHED C=CCCCC[C@H](C)NC[C@H]1CSCCS1 823979204 GUBLRBJMHMPGQZ-STQMWFEESA-N 259.484 3.560 30 20 CHED O=C(/C=C\c1nccn1-c1ccccc1)c1cccc(F)c1 588578300 ATDFCWKNEKNFFX-KTKRTIGZSA-N 292.313 3.908 30 20 CHED C=C(Cl)CNC(=O)c1ccc(-c2ccccc2)cc1 736238898 PBIHDYFCGWZILT-UHFFFAOYSA-N 271.747 3.836 30 20 CHED CCN(Cc1c(F)cccc1F)C(=O)CCCCCC#N 588338053 HFVJWBZDPOJDEV-UHFFFAOYSA-N 294.345 3.787 30 20 CHED O=C(c1cccc(C2CC2)c1)N(O)Cc1ccc(F)cc1 901371688 HOJHGEYGZVHIAU-UHFFFAOYSA-N 285.318 3.735 30 20 CHED C[C@H](NCC#Cc1ccc(F)cc1)c1ccsc1 669938735 WOUXSNFLBSLBAG-LBPRGKRZSA-N 259.349 3.590 30 20 CHED COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2C)ccc1C 588598428 CAHGQXULKNHTIS-HJWRWDBZSA-N 298.386 3.986 30 20 CHED C=C(Br)CN1CCC[C@H]1Cc1ccccc1C 734209980 KHSNWNLXYKIYTA-HNNXBMFYSA-N 294.236 3.911 30 20 CHED N#CCC1(COC(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1 835188922 VZPWQKYRKHZUHI-HOTGVXAUSA-N 283.371 3.807 30 20 CHED Cc1nnc(SCCCCC2(C#N)CCC2)s1 901392263 IHBSBYXSFYENTP-UHFFFAOYSA-N 267.423 3.803 30 20 CHED C=CCOc1ccc(C(=O)O[C@H]2C=CCCC2)cc1OC 733425832 REIBXOGKXIENLA-AWEZNQCLSA-N 288.343 3.526 30 20 CHED CCC(=O)c1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 839049778 HWECRUBTCWLDOK-WFASDCNBSA-N 285.343 3.518 30 20 CHED CC[C@@H](NCc1ccc(OC)cc1)c1cccc(C#N)c1 902720242 CXEVVWLOUAYVJB-GOSISDBHSA-N 280.371 3.808 30 20 CHED C#CCOc1ccc(NC(=O)c2cc3occc3s2)cc1 736015739 RTWLZUYKNZZAHT-UHFFFAOYSA-N 297.335 3.759 30 20 CHED COC[C@@H](SCc1cc(C#N)ccn1)c1ccccc1 901667796 MMFCUWXSSKXNKH-MRXNPFEDSA-N 284.384 3.574 30 20 CHED CCc1ccc(CN(C(=O)C#CC(C)(C)C)C2CC2)cc1 837334358 KMIJAYZMBQNQKJ-UHFFFAOYSA-N 283.415 3.790 30 20 CHED C[C@H]1C[C@@H](C(=O)O[C@H](C)C(C)(C)C#N)CC[C@H]1C 835246209 UMRWFICJYZLKIN-XQHKEYJVSA-N 251.370 3.540 30 20 CHED C=CCC1(C(=O)O[C@H](C)C(=O)c2ccco2)CCCCC1 838153677 JSGXHGALYQRLBE-CYBMUJFWSA-N 290.359 3.921 30 20 CHED CCC[C@](C)(CC)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839059421 PNKCINROJSTXSU-NFAWXSAZSA-N 251.370 3.828 30 20 CHED CCO[C@H]1CC(=NNc2ccccc2Cl)C1(C)C 736427724 CMOOCMDCILAAAK-ZDUSSCGKSA-N 266.772 3.943 30 20 CHED N#CCC[C@@H](C#N)CNCC1(Cc2ccccc2)CCCC1 582199563 GXNVEKMMDFBHLX-SFHVURJKSA-N 295.430 3.823 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2coc3ccccc23)C1 839061197 BOVFUNLOJCHCLP-GXTWGEPZSA-N 283.327 3.601 30 20 CHED C#CCCCN1CC[C@H](c2cccc(Br)c2)C1 831592948 GPFJBABDYLLNDL-AWEZNQCLSA-N 292.220 3.652 30 20 CHED O=[N+]([O-])c1ccccc1C=NNc1nccc2sccc12 915979873 MKGOEIMSCLEFGZ-UHFFFAOYSA-N 298.327 3.651 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)CCc2ccccc2Cl)C1 839044849 VQCPUSYATOGJCK-JSGCOSHPSA-N 291.778 3.898 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2nc(C(C)C)no2)CCCC1 838279143 HXJSOLQMEQHKGR-GFCCVEGCSA-N 292.379 3.934 30 20 CHED C=CCCSCCNC(=O)CCCc1ccc(F)cc1 597976750 ZKTWQDCHHHIHGZ-UHFFFAOYSA-N 295.423 3.574 30 20 CHED Cc1ccoc1C=NNc1ncnc2sc3c(c12)CCC3 743424999 SNGKJLRIYAVXHX-UHFFFAOYSA-N 298.371 3.527 30 20 CHED CCCn1ccc2cc(NC[C@@H](O)CC(C)(C)C#N)ccc21 598726612 UWTAPNVSFAWXQT-INIZCTEOSA-N 299.418 3.764 30 20 CHED CC(C)c1csc([S@@](=O)CCCC(C)(C)C#N)n1 593000416 FPXSGLQWNICDFF-SFHVURJKSA-N 284.450 3.704 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC3(CCc4ccccc4C3)CC2)C1 593038024 VMOFLSRAUPTDHE-VQIMIIECSA-N 294.442 3.950 30 20 CHED O=C(/C=C/c1ccsc1)c1ccc2c(c1)COC2 742436217 HEYNBHBMDHKETM-DAFODLJHSA-N 256.326 3.674 30 20 CHED CC1(C)CCCC1=NNc1nc(-c2ccccc2)no1 749855577 PNZQEPMXHCPEHA-UHFFFAOYSA-N 270.336 3.715 30 20 CHED C=CCC1(c2nc(CC3(CSC)CC3)no2)CCC1 596609204 UFVUNVXKUXTAFC-UHFFFAOYSA-N 278.421 3.753 30 20 CHED CCC[C@H](C)CC(=O)OCCCOc1ccc(C#N)cc1 748962242 YWSZEXOKIXWXGE-AWEZNQCLSA-N 289.375 3.697 30 20 CHED CCc1ccccc1NN=C(C)c1ccc(O)c([N+](=O)[O-])c1 749612144 KBJFWIHPNXCULS-UHFFFAOYSA-N 299.330 3.699 30 20 CHED C#C[C@@H](OC(=O)CCCCOC)c1ccc(Cl)cc1F 842352820 GSSTWRJYUDCURD-CQSZACIVSA-N 298.741 3.513 30 20 CHED N#CC1(CC(=O)N2CCC[C@H]2c2cccnc2)CCCCC1 596700711 QJZGRJYXGMNCRS-INIZCTEOSA-N 297.402 3.609 30 20 CHED Cc1nnc(C)n1N=Cc1cc(C)n(C2CCCCC2)c1C 917028959 YQHBWKOZEKJOEQ-UHFFFAOYSA-N 299.422 3.701 30 20 CHED CCC(CC)CN(CCC#N)CC1(Br)CC1 846812802 XDIHJVMKMFBDPT-UHFFFAOYSA-N 287.245 3.566 30 20 CHED Cc1cccc(CCCN2CCC[C@H](CC#N)C2)c1 595621564 WGRUHLCFXWFEPR-QGZVFWFLSA-N 256.393 3.553 30 20 CHED CC(C)c1ccccc1C=NN[C@H]1CCOC(C)(C)C1 848409180 OUBFZEWAFDZNDY-HNNXBMFYSA-N 274.408 3.691 30 20 CHED C[C@H](C(=O)OCCCC#N)c1ccccc1C(F)(F)F 745310179 ANIULBBRXLIQAN-JTQLQIEISA-N 285.265 3.656 30 20 CHED N#CCc1ccc(CN2CCC([C@H]3CCCCO3)CC2)cc1 595781612 DINXFKMICSVXGG-LJQANCHMSA-N 298.430 3.534 30 20 CHED CC(C)(CC#N)CNC(=O)C1(C(F)(F)F)CCCCC1 597760674 JOUNAFGKJIYBEH-UHFFFAOYSA-N 290.329 3.555 30 20 CHED COc1ccc(C(C)=NNc2ccc(C)cc2)c(OC)c1 916249917 DDNQKSOQYDVPBK-UHFFFAOYSA-N 284.359 3.848 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc(Cl)cc2)c1 916269008 LKBJEEBVEMHWOD-UHFFFAOYSA-N 275.695 3.694 30 20 CHED N#CC[C@@H]1CCCN([C@H]2CCCc3ccccc32)C1 595613289 ABKRKZHDVNXBQN-YOEHRIQHSA-N 254.377 3.690 30 20 CHED C[C@H](OC(=O)CCC(C)(F)F)c1ccc(C#N)cc1 748677173 LIKSEHIQCFBYJE-JTQLQIEISA-N 267.275 3.598 30 20 CHED C=CCN(CC=C)C(=S)Nc1cc(OC)ccc1Cl 742974919 CNNXAALXJSXKLJ-UHFFFAOYSA-N 296.823 3.719 30 20 CHED CC(=NNc1ccc(Cl)nn1)[C@@H](C)c1ccccc1 746366208 KAUQWFRXNKEJRG-SNVBAGLBSA-N 274.755 3.722 30 20 CHED CC[C@H](C#N)C(=O)NC(C)(c1ccccc1)c1ccccc1 593453410 FTWJRXXYYFXJBZ-OAHLLOKOSA-N 292.382 3.616 30 20 CHED C=CCCCC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1 748234560 UVICXUXLFAJOFB-LLVKDONJSA-N 295.766 3.567 30 20 CHED CCCc1ccc(CN(CC)C[C@H](C)C#N)s1 598678258 DPAIZHHFGJUJMF-GFCCVEGCSA-N 250.411 3.682 30 20 CHED C[C@H]1CN(c2ccc(C#N)cn2)CCc2ccc(Cl)cc21 593493509 URLHIHIUCOLOTN-LBPRGKRZSA-N 297.789 3.773 30 20 CHED C#Cc1cccc(NC(=O)NC(CC)(CC)CC)c1 741751943 KRMUGAZHNZUZIZ-UHFFFAOYSA-N 258.365 3.758 30 20 CHED CCC(COC)=NNc1cccc(Cl)c1Cl 841646173 XEYKQAZBRREGPZ-UHFFFAOYSA-N 261.152 3.818 30 20 CHED CC1(C)C(=NNc2ccccc2Cl)[C@@H]2CCCO[C@H]21 743420364 FLZAFBHQANFDFX-IINYFYTJSA-N 278.783 3.943 30 20 CHED N#Cc1ccc(CCNCCSCc2ccccc2)cc1 597176513 GEYCEZNTTJOOBY-UHFFFAOYSA-N 296.439 3.624 30 20 CHED CC(C)(C)OC(=O)CCSCCc1ccc(C#N)cc1 594900181 YGRAASCJZSQOER-UHFFFAOYSA-N 291.416 3.566 30 20 CHED CCC(=NNc1c(C)cc(C)cc1C)[C@@H]1CCOC1 743445295 NOJZLOQKYGOGKJ-CQSZACIVSA-N 260.381 3.826 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C(C)C)nc1)OCC 928621315 YADMKWQULJFMLR-HNNXBMFYSA-N 276.380 3.515 30 20 CHED O=C(/C=C\c1ccc(F)cc1F)c1ccc2c(c1)COC2 742437379 UICVHDQQKLXALG-XQRVVYSFSA-N 286.277 3.891 30 20 CHED C#CC1CCN(C(=O)c2ccc(C3CCCC3)cc2)CC1 843698614 CZYQFZRBJAVAJN-UHFFFAOYSA-N 281.399 3.830 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2nc(Cl)cs2)c1 759077229 SSICRQXEJIJZMU-SNAWJCMRSA-N 274.732 3.564 30 20 CHED CCOc1ccc(/C=N\Cc2ccc(F)cc2)c(O)c1 920943054 LPKLMGLRFNQIJK-WQRHYEAKSA-N 273.307 3.549 30 20 CHED C=CC1CCN(C(=O)/C=C(/C)c2cccs2)CC1 857121513 ZGTNUTIFVBIZQA-QXMHVHEDSA-N 261.390 3.576 30 20 CHED Cc1cccc2c1C/C(=C/c1nc(Cl)cs1)C2=O 759082597 FONHOZJTIWFXLP-TWGQIWQCSA-N 275.760 3.927 30 20 CHED C[C@@H]1CCCCN1N=Cc1ccc(F)c2cccnc12 853378679 BAMQWAKMOIGQJF-GFCCVEGCSA-N 271.339 3.582 30 20 CHED CC[C@H]1COCC1=NNc1nc(-c2ccccc2)cs1 853281177 WKVLYQQSCUKHET-NSHDSACASA-N 287.388 3.634 30 20 CHED C=CCCC(C)=NNc1nc(C(F)(F)F)cs1 758125200 QUQUBOBEXTUDBT-UHFFFAOYSA-N 263.288 3.916 30 20 CHED C[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 920943894 CUMCITJWYUVEII-ZSAINHDTSA-N 284.315 3.523 30 20 CHED COc1ccc(NN=Cc2ccc3ncccc3c2)cc1 750945540 HQFYDUZRIQIJHP-UHFFFAOYSA-N 277.327 3.689 30 20 CHED COc1ccc(Cl)cc1C(C)=NNc1cc(C)ccn1 755906754 QEEPLTPKOHCARQ-UHFFFAOYSA-N 289.766 3.888 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@@H](C)c1cnn(C)c1 851141620 BUWNVCXWVLYRGN-FMKPAKJESA-N 290.407 3.592 30 20 CHED CC(CC1CCCC1)=NNc1ccccc1C(=O)O 752720395 IKGJXHQBLPKCRI-UHFFFAOYSA-N 260.337 3.753 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1nc2ccccc2n1C 920382667 KVFRVCPVSNUYDC-CYBMUJFWSA-N 292.386 3.648 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(Cl)nc1 850504025 SJTAVZCUMSVQFP-LLVKDONJSA-N 270.829 3.695 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C)c1c(F)cccc1Cl 752015728 POMVAWVAIJEZMP-QMMMGPOBSA-N 291.153 3.592 30 20 CHED O=C(CCCF)OCC#Cc1ccc(Cl)cc1Cl 850940945 VFTASIPKYJAZLH-UHFFFAOYSA-N 289.133 3.638 30 20 CHED C[C@H](COC(=O)c1cc(C#N)cs1)c1ccccc1 752587039 JZTSXEMSKOWBSE-LLVKDONJSA-N 271.341 3.580 30 20 CHED CC(C)c1cccc(/C=C2/CCc3nn(C)cc3C2=O)c1 853007932 HHCSTHLYPCFFPO-GDNBJRDFSA-N 280.371 3.756 30 20 CHED CCC(=NNc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 759203232 WZWWISOIQGSQER-UHFFFAOYSA-N 292.386 3.850 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 935464147 KTWVVZLLXAXETC-KBPBESRZSA-N 274.408 3.532 30 20 CHED C#CCOc1ccc(C(=O)N(C)C2CCC(C)(C)CC2)cc1 755580785 ZJZDICKSKHJBJS-UHFFFAOYSA-N 299.414 3.739 30 20 CHED C=C(Cl)CSCCC(=O)N(C)c1ccccc1 853784234 ZJUYOSLOFLCASI-UHFFFAOYSA-N 269.797 3.525 30 20 CHED C#C[C@@H](CC)NC(=O)c1cc(C2CC2)nc2ccc(C)cc12 754375279 XLBWYWWETZREHK-AWEZNQCLSA-N 292.382 3.562 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1cccc(F)c1 768367638 BFGWOYCUKTUTGM-UHFFFAOYSA-N 277.339 3.631 30 20 CHED CC1(C(=O)OCc2ccccc2C(C)(C)C#N)CCC1 768041212 UCJXKDGRNRJIJC-UHFFFAOYSA-N 271.360 3.721 30 20 CHED N#CC1(CCOC(=O)[C@@H]2C[C@H]2c2ccco2)CCCCC1 860441191 CXUDVMYFRUHNDT-ZIAGYGMSSA-N 287.359 3.790 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(Cc2ccoc2)C2CC2)c1 931700135 DPBOAFCKNLZFTH-UHFFFAOYSA-N 295.342 3.656 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cnn(C)c1)CC2 760229698 ODFAFKWZJZTZSX-LZYBPNLTSA-N 280.371 3.756 30 20 CHED C/C=C(/C=C/C(=O)OCc1ccc(C#N)cc1OC)CC 766906566 RLYVQJYBDKUNLN-CKLXFCMWSA-N 285.343 3.523 30 20 CHED CCCCc1oc2ccccc2c1C=NNc1cnn(C)c1 761870374 QIZJWKOPDRHWML-UHFFFAOYSA-N 296.374 3.955 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)o1 762428255 YEPINNAYOPFRLQ-SRVKXCTJSA-N 272.352 3.504 30 20 CHED C#CCCCNc1cccc(C(=O)c2ccccc2)c1 766724662 JHVOVNREFLDVDZ-UHFFFAOYSA-N 263.340 3.743 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1cccnc1N(C)C)C2=O 1117349955 FFSJATXUZDQODA-RERGGYADSA-N 292.382 3.839 30 20 CHED C#CCOc1ccc(CN[C@@H](CC)CC(F)(F)F)cc1 760650928 KYMSXTVAQUYZGO-ZDUSSCGKSA-N 285.309 3.519 30 20 CHED C=CCCC(=O)COC(=O)C(C)(C)c1ccc(Cl)cc1 761387446 QGSCFMIPRQAPKR-UHFFFAOYSA-N 294.778 3.696 30 20 CHED CC(=NNc1c(Cl)cc(F)cc1Cl)[C@H]1CCOC1 767910418 UBZCYCNPEMLKAG-QMMMGPOBSA-N 291.153 3.957 30 20 CHED C#CCCSc1nc(C)nc2sc(C)c(C)c12 763301336 OUOOOQNMUWTUJF-UHFFFAOYSA-N 262.403 3.732 30 20 CHED N#Cc1cccc(COC(=O)c2cccc(Cl)c2F)c1 763511485 MDWHDFFWFGIHQH-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1ccccc1N(C)c1ccccc1 767252442 ALCFBQCQTQVQBE-OAHLLOKOSA-N 292.382 3.548 30 20 CHED C[C@@H](OC(=O)[C@H](C)c1ccccc1)c1cccc(C#N)c1 774044183 JDVMCUYRBMDGIJ-ZIAGYGMSSA-N 279.339 3.966 30 20 CHED O=C(OCC#Cc1cccc(Cl)c1)c1ccc(Cl)o1 773121207 KNKCWSRFABQZML-UHFFFAOYSA-N 295.121 3.795 30 20 CHED C#CC[C@H](NCCc1ccc(C)cc1)c1ccccc1 775401408 TZAVKXXGKLAMLQ-IBGZPJMESA-N 263.384 3.892 30 20 CHED CCC(=NNc1cc(Cl)ccn1)c1ccc(O)cc1 777913602 OBDSDBTXLMQESF-UHFFFAOYSA-N 275.739 3.667 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@H](C)[C@H]1CC)c1ccccc1 773414623 MGDDWRXPZOXPTH-BHYGNILZSA-N 284.403 3.581 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 776390016 SLONUNNYACZZBN-NWDGAFQWSA-N 293.313 3.551 30 20 CHED CCCCCCCNC(=O)N(C)Cc1cccc(C)n1 875764684 NSULSHMBEHWYPX-UHFFFAOYSA-N 277.412 3.502 30 20 CHED C=CCCN(C)C(=O)Nc1c(C)cc(Cl)cc1C 1116719408 DIZKKDMYMDNUML-UHFFFAOYSA-N 266.772 3.997 30 20 CHED C#CCC1(C(=O)N(C)c2ccc(C(C)=O)cc2)CCCCC1 876465792 YCJPPBBADNJMTM-UHFFFAOYSA-N 297.398 3.826 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OCC)cc1 779703142 DKHKUYAJXMOAOG-UHFFFAOYSA-N 259.349 3.608 30 20 CHED CC(=NNC[C@@H](C)C#N)c1ccc(-c2ccccc2)cc1 771113441 WBJHJBIAOOZEDU-AWEZNQCLSA-N 277.371 3.827 30 20 CHED COCC1CCC(=NNc2ccccc2Cl)CC1 1117782512 JMDOVIINVZIUBL-UHFFFAOYSA-N 266.772 3.945 30 20 CHED N#CC1(COC(=O)c2ccccc2Nc2ccccc2)CC1 775827246 IMFGAZVLSXJWCF-UHFFFAOYSA-N 292.338 3.891 30 20 CHED N#Cc1ccc(NCCOc2ccc3c(c2)CCC3)c(F)c1 1115938573 MFKRLWHZUXCSJN-UHFFFAOYSA-N 296.345 3.677 30 20 CHED C#CCSCCN[C@@H](CC(C)C)c1cccs1 773010416 JOZBEGFFCOWSNF-ZDUSSCGKSA-N 267.463 3.791 30 20 CHED N#CCC[C@H](N[C@@H]1CCc2cccnc21)c1ccccc1 886553660 SNPCKLNQMGIKRZ-DLBZAZTESA-N 277.371 3.704 30 20 CHED C=C(CC)COc1cc(Br)c(C=O)cc1OC 773177409 KIULGVKSNPYOQU-UHFFFAOYSA-N 299.164 3.615 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc2ccncc12 1120813861 OTYNEZSATYKJLL-OAHLLOKOSA-N 280.371 3.806 30 20 CHED CC/C(C)=C(/C)C(=O)O[C@H](C)c1ccc(C#N)cc1 779971769 YJOSUVZFINTQDP-YLGBQOPLSA-N 257.333 3.909 30 20 CHED C=C(C)Cn1c(N2CCC[C@@H]2CCC)nnc1C(C)(F)F 1122474356 BUVIXZIJKAHHTH-LBPRGKRZSA-N 298.381 3.735 30 20 CHED CCCCCCCCCC(=O)N[C@]1(C)CCO[C@@H]1C 784241594 IRHQUGDYIPSPBP-GDBMZVCRSA-N 269.429 3.811 30 20 CHED CCc1cccc(Cl)c1C=NNc1ncncc1Cl 788726753 RKIZRSIJRCRQIF-UHFFFAOYSA-N 295.173 3.792 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1nc(C2CC2)cs1 781184968 PYNQDPCXXKDYKR-GHMZBOCLSA-N 295.404 3.606 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)c1coc(C)n1 789034508 QVXUUWKBHNFOQC-UHFFFAOYSA-N 284.237 3.805 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 785599111 UTWDYXMAQJFKEI-DYVFJYSZSA-N 274.408 3.532 30 20 CHED CC(C)(C#N)CCCOC(=O)c1ccc(F)c(Cl)c1 784216720 AJCFKVBHSQMMHD-UHFFFAOYSA-N 283.730 3.966 30 20 CHED C[C@@H](C(=O)OCc1ccc(C#N)cc1Cl)C(C)(C)C 784228110 BHFWOFSGUNAMNX-JTQLQIEISA-N 279.767 3.937 30 20 CHED CC(C)(C)CCCNc1ccc(F)cc1OCC#N 780298045 MWBITLVKRNFFOC-UHFFFAOYSA-N 264.344 3.966 30 20 CHED Cc1cc(C#N)nc(N[C@@H]2CCO[C@H](c3ccccc3)C2)c1 893197937 FFYOKIULHASHIZ-WBVHZDCISA-N 293.370 3.594 30 20 CHED COc1ncc(C(=O)/C=C\c2ccc(C#N)cc2)cc1Cl 789157659 PEUBVEGXOHVIPC-SREVYHEPSA-N 298.729 3.511 30 20 CHED C(=NOC[C@H]1CCOC1)c1cccc(Oc2ccccc2)c1 788033790 LYMSNZIIPJDDCI-INIZCTEOSA-N 297.354 3.866 30 20 CHED C[C@@H](C=NNc1ccnc(F)c1)c1ccc(F)cc1 781125125 QRBLLIZTTDGOPZ-JTQLQIEISA-N 261.275 3.561 30 20 CHED C#Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 891314736 ZBKTZTOGCSNTDD-OLZOCXBDSA-N 295.304 3.975 30 20 CHED CC(C)(C#N)CCCC[S@](=O)Cc1ccsc1 899433763 PKTXKZUNFVGWPF-KRWDZBQOSA-N 269.435 3.717 30 20 CHED COc1cccc(NN=C(C)[C@@H](OC)c2ccccc2)c1 782179577 OCWCNRULYSEFLQ-QGZVFWFLSA-N 284.359 3.871 30 20 CHED C=C1CC(c2noc([C@@H](C)Oc3ccccc3F)n2)C1 896885062 PUMARKJHLHKIST-SNVBAGLBSA-N 274.295 3.782 30 20 CHED CCCC1CCC(CNc2n[nH]c(C)c2C#N)CC1 1202706903 GVXWPEOFBMKHQZ-UHFFFAOYSA-N 260.385 3.608 30 20 CHED COc1cccc(/C=C2/CCc3ccc(O)cc3C2=O)c1F 799894518 XHNQJTDKMVBKLF-LCYFTJDESA-N 298.313 3.752 30 20 CHED CCC[C@H](Nc1ccc(C#N)cc1)[C@@H](O)c1ccccc1 795210880 YXUDACFRKAGUNR-ROUUACIJSA-N 280.371 3.872 30 20 CHED CC(=NNc1cccc(F)n1)[C@@H](C)c1ccccc1 795007086 QBAQVKRWCAIERV-LLVKDONJSA-N 257.312 3.812 30 20 CHED CC(=NNc1cc(Cl)cc(Cl)c1)[C@H]1CCCO1 790202692 WPJORKAVCGNFJQ-GFCCVEGCSA-N 273.163 3.960 30 20 CHED COCC[C@@H]1CCCC1=NNc1ccc(Cl)c(OC)c1 799887166 PEIQWXMIALJVIO-NSHDSACASA-N 296.798 3.953 30 20 CHED CC(C)OC(=O)CC[C@H](C)/N=C\c1cc(Cl)ccc1O 794833185 LUWJHQLLKJYAAC-PKSBALPTSA-N 297.782 3.585 30 20 CHED C[C@@H](NN=Cc1cnc(C2CCC2)s1)C(C)(C)C 793116070 WDNYIWYUDZHCSH-SNVBAGLBSA-N 265.426 3.769 30 20 CHED CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC2(C)C)c1 793539598 JDHGLUJKTXIDIA-GDBMZVCRSA-N 272.392 3.646 30 20 CHED CC[C@@H](CC#N)NC1CC(c2cccc(Cl)c2)C1 54183501 QHYCZPUBEPYEPL-BLZCZZARSA-N 262.784 3.868 30 20 CHED COc1cccc(SCc2cc(C#N)ccc2F)c1 19847592 NEGGRKRUIUNOHJ-UHFFFAOYSA-N 273.332 3.998 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1CCOc1cccc(C#N)c1 1168124278 DCYHQUFYOYDDHR-CRAIPNDOSA-N 286.419 3.838 30 20 CHED CCc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 58248074 BHDYNOODUXAWMQ-UHFFFAOYSA-N 264.328 3.567 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(Cl)nc2Cl)C1 801539658 LRUWWUYSSSILRR-ZDUSSCGKSA-N 284.190 3.514 30 20 CHED C=C(C)CCOc1ccc(Br)cc1C(C)=O 167995206 HPEFDOYLNWCFBQ-UHFFFAOYSA-N 283.165 3.997 30 20 CHED Cc1cc(CNc2ccc(OCC#N)cc2)cc(Cl)n1 1326918783 YKGPEEORHBKCBE-UHFFFAOYSA-N 287.750 3.558 30 20 CHED C(#Cc1ccccc1)CN1CCC[C@@H]2CCCC[C@@H]21 218601804 YFRZNYAFPNSLGF-ROUUACIJSA-N 253.389 3.693 30 20 CHED CC[C@](C)(C#N)C(=O)NCC1(C)CCC(C)(C)CC1 412614529 PFUAUIFRCKXHFP-MRXNPFEDSA-N 264.413 3.649 30 20 CHED C#Cc1cccc(N(CC)Cc2cccc(Cl)n2)c1 744395090 QVUXGZBLMLOYDU-UHFFFAOYSA-N 270.763 3.743 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(Cl)cn1 595059864 QNUZOGWWGNMAEU-LLVKDONJSA-N 270.829 3.695 30 20 CHED Cc1cc(Cl)cnc1NCc1ccc(C#N)c(F)c1 710036376 PCMTYBHTJGVUQX-UHFFFAOYSA-N 275.714 3.666 30 20 CHED CC[C@@H](CC(F)F)CN(CCC#N)CC(C)(C)C 595327872 DLOQVEJIJSDMND-LBPRGKRZSA-N 260.372 3.930 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(-n2ccc(C)n2)c1 1323458433 VKAPTRSXXZVKCD-AWEZNQCLSA-N 297.402 3.655 30 20 CHED C[C@@H](COc1ccccc1F)N[C@H](C)CC(C)(C)C#N 1332382926 CRBQBLJRBVTBFI-OLZOCXBDSA-N 278.371 3.511 30 20 CHED C=CCN(Cc1csc(C2CCCC2)n1)[C@H](C)COC 661242521 BSMVCOCSCZXLMN-CYBMUJFWSA-N 294.464 3.824 30 20 CHED COCC1(CNc2ccc(F)cc2C#N)CCCCC1 576914701 KIIDKOLBZWXSJS-UHFFFAOYSA-N 276.355 3.706 30 20 CHED CC[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 85065479 URPFIVZNXCLNFU-WFASDCNBSA-N 260.356 3.756 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCSc2ccccc21 1336934887 QVJZIHOLKQAPDJ-CYBMUJFWSA-N 261.390 3.696 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)Cc1cccc(Cl)c1Cl 1339068895 WTANUMUCOCJJSK-NSHDSACASA-N 299.201 3.687 30 20 CHED Cc1ccc(O)c2c1[C@H](C)CC2=NNc1ccc(F)cn1 1338742804 OEAPERILTVNXTK-SNVBAGLBSA-N 285.322 3.558 30 20 CHED C[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1F 1339464060 BRZIYKHRJAMKIG-JTQLQIEISA-N 286.281 3.579 30 20 CHED C=C(C)CCC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 1335907936 XAQMIXSAZKLEQA-HOCLYGCPSA-N 275.367 3.934 30 20 CHED CC(C)[C@]1(C)C[C@H]1c1nnc(COc2ccccc2C#N)o1 1333090475 IUUHBNVJVIYKEM-GUYCJALGSA-N 297.358 3.670 30 20 CHED C=CC[C@H]1N(C(=O)NCCCC(F)F)CCCC1(C)C 1335193536 MRWSIZSVDOHWMA-GFCCVEGCSA-N 288.382 3.808 30 20 CHED C[C@H](OC(=O)CCC1(C)CC1)c1ccc(C#N)cc1 1515138116 YRJUOVFNLYJABD-LBPRGKRZSA-N 257.333 3.743 30 20 CHED C=C(C)CCC(=O)OCc1cccc2ncccc12 1516808338 OLQJYEMKCBDRBV-UHFFFAOYSA-N 255.317 3.634 30 20 CHED N#C[C@@H](c1ccccc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 1459514027 UUEHYXRYASEPGA-LPHOPBHVSA-N 294.373 3.955 30 20 CHED N#Cc1ccc(/C=C/c2nc(Cl)c(C(=O)O)s2)cc1 1601098599 RPTRLTWGEHNINJ-AATRIKPKSA-N 290.731 3.537 30 20 CHED CC(C)[C@]1(C)C[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 1465889055 IUNNGHTZFABNOD-ZFWWWQNUSA-N 291.782 3.768 30 20 CHED CC[C@H](c1ccccc1)N1CCN(C[C@H](C)CCC#N)CC1 1461853778 SJAKQCJSDLQQGP-IEBWSBKVSA-N 299.462 3.695 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H](CC(C)(C)C)C1 1460957678 WXNHBSIQFYJGPR-OAHLLOKOSA-N 284.403 3.765 30 20 CHED Cc1scc(COC(=O)Cc2cccc(C#N)c2)c1C 1462196250 IFNGZPBHDALCKO-UHFFFAOYSA-N 285.368 3.523 30 20 CHED CCC[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1ccccc1 1473338239 SXWLFXQEDHLSBS-RTBURBONSA-N 294.398 3.723 30 20 CHED Cc1cc(Sc2nc(Cl)c(C#N)s2)ccc1C#N 1559218717 NPEANTKLDCBVNQ-UHFFFAOYSA-N 291.788 3.999 30 20 CHED N#C[C@H]1CCCN(C(=O)C2=C(c3ccccc3)CCCC2)C1 1637736887 LQUFFDSYYSHZBH-OAHLLOKOSA-N 294.398 3.776 30 20 CHED CC[C@@H](C)Oc1cc(NCC(C)(C)CCC#N)nc(C)n1 1642754044 OQAROLPIYSRZIN-GFCCVEGCSA-N 290.411 3.704 30 20 CHED N#Cc1ncccc1SCc1c(F)cccc1F 1643928946 LUJOFYXJTSNFMV-UHFFFAOYSA-N 262.284 3.524 30 20 CHED N#Cc1ccc(CCn2nc(Cl)c3ccccc32)cc1 1643818557 BGOWIGANNDUFFB-UHFFFAOYSA-N 281.746 3.804 30 20 CHED N#Cc1ccnc(CN(Cc2ccco2)c2ccccc2)c1 1642180309 PZDABUYFWAFNPD-UHFFFAOYSA-N 289.338 3.753 30 20 CHED Cc1cc(C(F)(F)F)c(Nc2cccc(CC#N)c2)nn1 1651858002 HMFOLCZGKLGHBO-UHFFFAOYSA-N 292.264 3.614 30 20 CHED COc1ccc(C#N)cc1CN(C)c1cccc(C)c1C 1657027975 HSBRUHBMAFHBDO-UHFFFAOYSA-N 280.371 3.820 30 20 CHED C=C(Cl)Cn1c(CC)nnc1N(C)CC1CCCCC1 1740821619 HQIQUPAOLOKYFN-UHFFFAOYSA-N 296.846 3.610 30 20 CHED Cc1nsc(NCC(C)(C)C2CCCC2)c1C#N 1642453816 WNAADHWISJRLEK-UHFFFAOYSA-N 263.410 3.952 30 20 CHED CCC[C@H](NC(=O)Nc1sccc1C#N)C(C)(C)C 1663159594 NXMXMCJTFKLRJS-NSHDSACASA-N 279.409 3.956 30 20 CHED C[C@@H](NC(=O)N(C)CC(C)(C)C#N)C1CCCCCC1 1671518720 SDWWFDHHUMELBC-CYBMUJFWSA-N 279.428 3.536 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CC[C@H](C(=O)O)[C@@H]1C 1595704977 MIKZCLIPYJPQBM-KKUMJFAQSA-N 297.439 3.695 30 20 CHED CC(C)[C@H]1CC[C@H](C)CC1=NNc1ccc(C(=O)O)nc1 1776069119 RBRNKXXRESNPIF-WCQYABFASA-N 289.379 3.640 30 20 CHED CCC1(CC)CCCN(C(=O)NCC(C)(C)CC#N)CC1 1686738102 ICQRUXFDKHAVMO-UHFFFAOYSA-N 293.455 3.928 30 20 CHED Cc1ccc(NN=C2CC[C@H](CC(=O)O)[C@H]2C)c(Cl)c1 1776060825 QPZGNKGJAPJDMP-GHMZBOCLSA-N 294.782 3.937 30 20 CHED Cc1c(C)c(C)c(CNCc2ccc(C#N)o2)c(C)c1C 158853429 HDJLDQYYAGGQPY-UHFFFAOYSA-N 282.387 3.983 30 20 CHED N#CCC[C@H](Nc1nnc(C2CC2)s1)c1ccccc1 164351329 YTIRRJLKALZUSC-ZDUSSCGKSA-N 284.388 3.872 30 20 CHED CC(C)C1CCC(CN(CCC#N)CCC#N)CC1 205546594 PFSIVGUDAPNJKB-UHFFFAOYSA-N 261.413 3.578 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 6341019 JTTTYMWMYPJLHD-WEVVVXLNSA-N 296.322 3.710 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC(C(C)C)C(C)C)c1 1672776194 WOPLEXVEUOLKTN-UHFFFAOYSA-N 273.380 3.669 30 20 CHED N#Cc1cccc(NC[C@H]2CCC3(CCCCC3)O2)c1 228036565 VRMBNFNUSMQXCD-MRXNPFEDSA-N 270.376 3.852 30 20 CHED COc1ccc(C#N)cc1CNc1ccc(C)cc1C 129240173 PGXMAFQCNWPHMU-UHFFFAOYSA-N 266.344 3.796 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)cc1 158909930 DSJQZPZTJXPGMM-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CCc1ccc(C(=O)Nc2ccc(CC#N)cc2)s1 48463152 LUFYWVXNYTXWDA-UHFFFAOYSA-N 270.357 3.629 30 20 CHED CC(C)N(CCNc1ccc(C#N)c(Cl)c1)C(C)C 61845720 JMAHUMGFFGWLHU-UHFFFAOYSA-N 279.815 3.742 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@H]2CCC[C@H](C)C2)c1 308133946 MMKXQEUDHIPMKM-FZMZJTMJSA-N 256.349 3.632 30 20 CHED CC1(C)CC[C@@H]1Nc1cccc(OCCCC#N)c1 311886701 XHLZIGCUJNYSRJ-HNNXBMFYSA-N 258.365 3.970 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1Cl 312916084 BTOKPJGBALGWCZ-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCN(Cc1ccccc1)[C@@H](C)c1ncc(C)o1 411131959 KAGKXSTUERMYCW-AWEZNQCLSA-N 256.349 3.732 30 20 CHED Cc1nc(C)c(COc2cc(Cl)cc(C#N)c2)s1 352192114 JMLOZCAJTIAHKX-UHFFFAOYSA-N 278.764 3.864 30 20 CHED CC[C@@H](CC#N)NC(=O)C[C@@H](C)CCC=C(C)C 579125550 NVNWTIFEVCIZEO-KBPBESRZSA-N 250.386 3.567 30 20 CHED C=CC(C)(C)CNCc1cc(OC)c(OC)cc1SC 384850187 LENIZYMGMMVUNC-UHFFFAOYSA-N 295.448 3.728 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](CO)C[C@@H](C)C1 398810407 PFBFDOXUQDCFBO-CVEARBPZSA-N 283.456 3.604 30 20 CHED CCC(CC)(CNc1ncc(C#N)cc1Cl)SC 742424708 BIFNZADFWXETLX-UHFFFAOYSA-N 283.828 3.940 30 20 CHED C=C(C)CSc1nnc(Nc2cccc(OC)c2)s1 3439510 VPRPPWXPHBZVRP-UHFFFAOYSA-N 293.417 3.959 30 20 CHED CC(C)c1cccc(OCC(=O)Nc2ccc(C#N)cc2)c1 6127265 XAHDERICWCBJFV-UHFFFAOYSA-N 294.354 3.699 30 20 CHED CC[C@@H](O)c1ccc(OCc2ccccc2C#N)cc1 35628352 NYXGBXRHDRBTME-QGZVFWFLSA-N 267.328 3.581 30 20 CHED N#Cc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1 37749666 PNWNRRGCLRWZJA-UHFFFAOYSA-N 277.249 3.584 30 20 CHED CCCNC(=O)Nc1cccc(C#Cc2cccs2)c1 43996558 UIUOLDUGVXEIMY-UHFFFAOYSA-N 284.384 3.679 30 20 CHED Cc1cc(C)cc(N(C)Cc2ccc(C#N)cc2F)c1 48400527 SBAWECDORSUFBL-UHFFFAOYSA-N 268.335 3.951 30 20 CHED C=CCN(CC=C)C(=O)c1oc2ccc(F)cc2c1C 52538674 GLAVPTOBIYONNJ-UHFFFAOYSA-N 273.307 3.695 30 20 CHED C[C@H](C#N)CN(C)C(=O)c1ccc(-c2ccccc2)cc1 53077318 OFVLMWCXPXJLNM-CQSZACIVSA-N 278.355 3.585 30 20 CHED Cc1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1 55569129 XHWYIFNRJWSAJL-UHFFFAOYSA-N 294.354 3.930 30 20 CHED Cc1ccc(C)c(NC(=O)c2ccc(CC#N)cc2)c1 58242950 DJUNEBXNQUZCBI-UHFFFAOYSA-N 264.328 3.622 30 20 CHED CC1CCC(CNc2ccc([N+](=O)[O-])cc2C#N)CC1 58610064 ATJVZRHHWILWQI-UHFFFAOYSA-N 273.336 3.705 30 20 CHED CCOc1ccc(C(=O)/C=C/c2c(C)nn(CC)c2C)cc1 60370891 NMJVDHMOHBPALI-VAWYXSNFSA-N 298.386 3.815 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(F)c(F)c1 60780979 FFORTFMBMPHMFT-UHFFFAOYSA-N 293.338 3.855 30 20 CHED N#Cc1ccc(N[C@H]2CCCc3sccc32)nc1 61364302 XQEYQKRXHNKYAN-LBPRGKRZSA-N 255.346 3.504 30 20 CHED N#CCC[C@@H](C#N)CSc1ccc(Cl)cc1 66237235 KPNRUPKVTRRAPC-JTQLQIEISA-N 250.754 3.876 30 20 CHED CC[C@](C)(C#N)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 66645199 RYSFCEYGGRMAMI-WOSRLPQWSA-N 264.413 3.647 30 20 CHED C[C@@H](c1cccc(C(F)(F)F)c1)N(CC#N)C1CC1 71966342 BENFUZOLSJUTHL-JTQLQIEISA-N 268.282 3.754 30 20 CHED C[C@@H]1CN(C(=O)c2cccc(C#N)c2)c2ccccc2S1 74878813 ZFCBCQAQNUVVGH-GFCCVEGCSA-N 294.379 3.699 30 20 CHED CC(C)C[C@H](C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 75275391 OBFXQIGUGXKOAX-KBPBESRZSA-N 272.392 3.808 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(CCCCC#N)C1 76388750 OPILUYLYSLHOAM-HZPDHXFCSA-N 256.393 3.867 30 20 CHED N#CCN(Cc1cc(Br)cs1)C1CCCC1 78003581 VYZUZGALMHUQSM-UHFFFAOYSA-N 299.237 3.779 30 20 CHED CS[C@H]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 78477214 QXSJORXUYFTQPM-PWSUYJOCSA-N 266.797 3.908 30 20 CHED CC(C)(C#N)CCSc1nc2c(cc1C#N)CCCC2 78955200 UNSCBGVYUOBITJ-UHFFFAOYSA-N 285.416 3.864 30 20 CHED CC(C)[C@@H](C)S[C@H]1CCN(c2sccc2C#N)C1=O 83093501 QTEAIROUNAJTJT-PWSUYJOCSA-N 294.445 3.503 30 20 CHED CCc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)o1 83982123 QOMDIOOJGBAIAS-YRNVUSSQSA-N 269.344 3.804 30 20 CHED CSc1ccc(/C=C/C(=O)c2ccncc2)cc1 90556944 HUIQHERGPFGBIM-QPJJXVBHSA-N 255.342 3.700 30 20 CHED CCCCN(Cc1cc(C#N)cs1)CC(F)(F)F 91951224 FVEHHPFZNPWJDI-UHFFFAOYSA-N 276.327 3.784 30 20 CHED Cc1occc1CN(C)Cc1cccc(OCCCC#N)c1 92438572 BSRFGRFUJJYNEJ-UHFFFAOYSA-N 298.386 3.903 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccco1 93872108 VWUYCCPAJVRYDW-IRXDYDNUSA-N 266.344 3.551 30 20 CHED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C#N 102778768 PMQKDWBNPKZWDU-AWEZNQCLSA-N 291.354 3.770 30 20 CHED Cc1ccc(C)c(C[S@](=O)Cc2cccc(C#N)c2)c1 108142841 RHFYBMGGZPUCFZ-FQEVSTJZSA-N 283.396 3.624 30 20 CHED C[C@H](CSc1ccccc1)C(=O)Nc1ccc(C#N)cc1 110159183 CMNTVBUYYHCACV-CYBMUJFWSA-N 296.395 3.925 30 20 CHED C[C@H](CC1CCCC1)C(=O)N[C@@H](C#N)c1ccccc1F 114327753 ZQCXINJDYXXXJL-WBMJQRKESA-N 288.366 3.723 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1CCSc2c(F)cccc21 116946540 WALHBKAIGYHLFU-MFKMUULPSA-N 294.395 3.626 30 20 CHED CCOC(=O)C[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 118180253 NNIKDBGODLGQIL-RYUDHWBXSA-N 277.389 3.694 30 20 CHED N#CCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1 122148001 CUIWWGWIMUMKJQ-UHFFFAOYSA-N 291.306 3.752 30 20 CHED CCCCCCCCCCNC1CCS(=O)CC1 124771591 DORQXBIRTLFRHE-UHFFFAOYSA-N 273.486 3.628 30 20 CHED CC(C)CN(CC(C)(C)C)C(=O)c1cccc(C#N)c1 125060362 MBAJFYUDXUINDG-UHFFFAOYSA-N 272.392 3.703 30 20 CHED C=C[C@H](CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 125459930 YAUKCTPVKNVBCA-OAHLLOKOSA-N 276.339 3.857 30 20 CHED C=CCC(CC=C)C(=O)N(CC=C)Cc1cccc(C#N)c1 127438757 VDLZEGBGPSSENE-UHFFFAOYSA-N 294.398 3.841 30 20 CHED C=C(C)COCCNc1ccc(C(F)(F)F)c(C#N)c1 128048605 ORWQQAVMRWHHRY-UHFFFAOYSA-N 284.281 3.582 30 20 CHED CCC1(C)CCN(Cc2cc(C#N)ccc2OC)CC1 130459665 PHKAZLHFXXOWLH-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C#CC[C@@H](Nc1ncnc2ccccc12)c1ccccc1 140285122 HVQLJVDRIAXJNZ-MRXNPFEDSA-N 273.339 3.806 30 20 CHED C=CCC[C@@H](CCC)NC1CCN(CC(=C)C)CC1 153053798 DYJJVALQGIRGGC-MRXNPFEDSA-N 264.457 3.751 30 20 CHED C=CCC[C@H](NC(=O)c1cc(C(C)=O)c[nH]1)c1ccccc1 153292749 FPLCJYUVEBBCFR-INIZCTEOSA-N 296.370 3.655 30 20 CHED C=CCCC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 154243521 FCELGHMKCBDWBX-CQSZACIVSA-N 261.365 3.998 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1c(F)cc(C#N)cc1F 155102199 YKKKQVUVAZSCHR-GFCCVEGCSA-N 294.345 3.925 30 20 CHED CC#CCCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 156043378 SMRPEUURLBECNJ-GOSISDBHSA-N 299.439 3.697 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(C)c1O 156820047 GDUHRZRXQBMDCT-UHFFFAOYSA-N 261.365 3.519 30 20 CHED C=CCCCNc1cccc(C(=O)N2CCCC2)c1C 157171929 YSZUWIZCTMOGTJ-UHFFFAOYSA-N 272.392 3.609 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 159187446 NNZRUGYSKUMGKK-DOTOQJQBSA-N 288.435 3.527 30 20 CHED CCC[C@@H](C(=O)N[C@@H](C#N)c1ccccc1F)C(C)C 163080738 XLPVPCHTNSDIDQ-DOMZBBRYSA-N 276.355 3.579 30 20 CHED N#Cc1ccc(S[C@H]2CCCCC2=O)c(Cl)c1 163338405 NTDJFLYALCUWLH-ZDUSSCGKSA-N 265.765 3.815 30 20 CHED CCCOc1ccc(NC(=O)NCCCCC#N)c(C)c1 171378358 BDCUXWFJUYGRJS-UHFFFAOYSA-N 289.379 3.599 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cnn(C(C)C)c1)C2 171982047 WTOJTLSYIQOZMT-CHHVJCJISA-N 266.344 3.595 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](SC)c2ccccc2)c1 172400173 UEWOKCCEHJDVPJ-QGZVFWFLSA-N 295.407 3.735 30 20 CHED Cc1cccc([C@@H](C)OC(=O)Cc2ccc(C#N)cc2)c1 172430145 FVJHUASJWHKQJU-CQSZACIVSA-N 279.339 3.714 30 20 CHED Cc1nc(C(=O)N2CCCCC[C@@H]2CC(C)C)ccc1C#N 172571410 VCJYKXBSKQTMTN-MRXNPFEDSA-N 299.418 3.693 30 20 CHED CC(C)C[C@H](C)N(C)C(=O)CSc1ccccc1C#N 173720027 FEVCPGUEXBVTMP-ZDUSSCGKSA-N 290.432 3.543 30 20 CHED CC(C)C1CCC(NCc2ccc(OCC#N)cc2)CC1 174357707 WHNFDRFIFNJVFR-UHFFFAOYSA-N 286.419 3.893 30 20 CHED Cc1ccc(C(C)(C)C(=O)OCC2(CC#N)CC2)cc1 174754834 DEMJHRSQCJFPOP-UHFFFAOYSA-N 271.360 3.510 30 20 CHED N#C[C@@H](C(=O)CC1CCCCCC1)C(=O)Nc1ccccc1 175106900 XNAJYRRSPSVGIM-INIZCTEOSA-N 298.386 3.694 30 20 CHED C=CCCCC(=O)Nc1ccc(N2CCCC2)c(F)c1 175373373 RGTAXBYVZNXJEB-UHFFFAOYSA-N 276.355 3.721 30 20 CHED CCOc1ccccc1CN(C)Cc1ccc(F)c(C#N)c1 176888798 ZETQHPZHXDJJSG-UHFFFAOYSA-N 298.361 3.728 30 20 CHED C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1 178643934 OILLJROBUZVACD-SJCJKPOMSA-N 296.345 3.872 30 20 CHED C=CCOc1ccc(C(=O)Nc2c(C)cccc2F)cc1 179870542 YMBVHLYAAZNEDJ-UHFFFAOYSA-N 285.318 3.951 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1c[nH]c2ccccc12 182634244 JDNGBSLPMXYEGL-CYBMUJFWSA-N 270.376 3.571 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccccc1Nc1ccccc1 183949069 VFMKCXFELGCKDZ-CQSZACIVSA-N 293.370 3.852 30 20 CHED O=C(/C=C/c1ccc(F)nc1)c1c[nH]c2ccccc12 186401727 QAVFEHCSIJGSFU-FNORWQNLSA-N 266.275 3.598 30 20 CHED C=C(C)[C@H](N[C@H](C)c1cnn(C)c1)c1ccc(F)c(F)c1 186453978 CSEPVNKUSZZHIT-BZNIZROVSA-N 291.345 3.666 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc2[nH]c(C)cc2c1 187080326 AGDYURKRVBDUBU-QGZVFWFLSA-N 286.375 3.644 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1cc(F)cc(Cl)c1 188607292 XCLCRDHAWYRIGF-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1c(F)cccc1C(=O)Nc1nccc2sccc12 189048515 YIDUVQSUQHSWDQ-UHFFFAOYSA-N 297.314 3.559 30 20 CHED COc1cccc2c1CC[C@H](Nc1ccc(CC#N)cc1)C2 190524797 YVNAXFJAWPSUFP-KRWDZBQOSA-N 292.382 3.731 30 20 CHED CCCCCCCCS(=O)(=O)Cc1ncc(C)s1 190945190 KXIKMEWDXPMXBC-UHFFFAOYSA-N 289.466 3.727 30 20 CHED Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)c(Cl)c1 191695493 TWAZQYKFVDTRRN-OAHLLOKOSA-N 290.794 3.851 30 20 CHED N#CCCN(Cc1cc(Cl)cs1)CC1CC1 194379934 WERMXERDJWUHAC-UHFFFAOYSA-N 254.786 3.527 30 20 CHED N#Cc1ccsc1C(=O)Nc1cccc(C(F)F)c1 195419807 OSTBHVUYOJCKDK-UHFFFAOYSA-N 278.283 3.810 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2ccc(O)cc2)c(O)c1 199687680 JVLGMEDHLOLOOU-VMPITWQZSA-N 268.312 3.611 30 20 CHED CCC[C@H]1CCCCN1Cc1ccc(C#N)cc1F 213404281 OOSFBHBQXXQGKL-HNNXBMFYSA-N 260.356 3.852 30 20 CHED CCN(Cc1cccc(C#N)c1F)C1CCCCC1 223521532 MGIZQCFDWZZASU-UHFFFAOYSA-N 260.356 3.852 30 20 CHED Cc1ccccc1CCNCc1ccc(O[C@H](C)C#N)cc1 237572844 QBKKRRVSKAMECJ-MRXNPFEDSA-N 294.398 3.618 30 20 CHED Cc1cc(C)cc(/C=C\C(=O)c2c(C)nn(C)c2C)c1 255028955 SPHYDEOZBSKGNL-SREVYHEPSA-N 268.360 3.550 30 20 CHED N#Cc1ccsc1NC(=O)/C=C\Sc1ccccc1 255419032 IATBZTCWVLRXGS-CLFYSBASSA-N 286.381 3.864 30 20 CHED COCc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1 255493016 OGXDZWBEIPEAGD-KTKRTIGZSA-N 277.323 3.601 30 20 CHED C#CCCCCc1nc(-c2cccc3[nH]ccc23)no1 273748157 MYRCAWZQXRTWCI-UHFFFAOYSA-N 265.316 3.564 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc2ccsc12 274316775 JFSBCAUAMAWNPM-MRXNPFEDSA-N 286.400 3.959 30 20 CHED C=C(C)CCSc1nnc(-c2ccco2)n1CC 274775882 XOPBGRFQTYSOJQ-UHFFFAOYSA-N 263.366 3.616 30 20 CHED C=CCCN(C)C(=O)c1oc2ccc(F)cc2c1C 276442832 SWGOYKQRQJVDIS-UHFFFAOYSA-N 261.296 3.528 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H]1c1ccc[nH]1 277570935 BIDRYWZLXSIBKA-HNNXBMFYSA-N 259.397 3.872 30 20 CHED C=CC[C@@H]1N(C(=O)c2cncc(C)c2)CCCC1(C)C 278143913 ATNWWZXJLPLJRP-HNNXBMFYSA-N 272.392 3.597 30 20 CHED Cc1ccccc1-c1nnc(S[C@H]2CC[C@H](C#N)C2)n1C 278526422 HOFAQWVVNUQXHX-STQMWFEESA-N 298.415 3.575 30 20 CHED C=CC[C@@H](CC)N[C@H](C)Cc1ccc(OC)c(OC)c1 281762529 WLBXBNNROPPFMO-UKRRQHHQSA-N 277.408 3.579 30 20 CHED CCSCCCNc1nc(C(F)(F)F)ccc1C#N 281970708 RKHXKGDDWAPBNV-UHFFFAOYSA-N 289.326 3.527 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CCC(=O)c2ccccc21 284275085 HUEBZHXNRXHXFQ-QGZVFWFLSA-N 299.414 3.952 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 285067996 JVFBLSJMVQLCFO-CXAGYDPISA-N 288.391 3.658 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 285565820 UDZAREXAKQQFEJ-DYVFJYSZSA-N 288.391 3.591 30 20 CHED C#CC[C@H](N[C@H](C)c1cc(C)ccn1)c1ccccc1 286047133 KAELXMMTSDAXPD-WBVHZDCISA-N 264.372 3.805 30 20 CHED CCN(CCC#N)Cc1nc(-c2ccc(C)cc2)cs1 286456654 OKZRNBCVHSVZTQ-UHFFFAOYSA-N 285.416 3.854 30 20 CHED C=CCC[C@@H](NC[C@H]1CCSC1)c1ccco1 287303542 DQSLAHNTYGUAJE-CHWSQXEVSA-N 251.395 3.630 30 20 CHED N#CCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 291868359 HXMZHQWTBIGWFX-UHFFFAOYSA-N 297.185 3.572 30 20 CHED C=CCOc1ccc(CNCc2ccsc2C)cc1 293218942 JTPCJIGTOOSGSD-UHFFFAOYSA-N 273.401 3.911 30 20 CHED Cc1ccccc1[C@@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 294289049 HVBVHBVZKBGJML-KDOFPFPSSA-N 282.387 3.646 30 20 CHED Cc1cccnc1CCCN[C@H](C)c1cccc(C#N)c1 296504279 PDUUPUINYIMFKR-OAHLLOKOSA-N 279.387 3.545 30 20 CHED CN(Cc1cccc(F)c1)c1nc2c(cc1C#N)CCCC2 301098049 QDKGAEPSNCUHEE-UHFFFAOYSA-N 295.361 3.608 30 20 CHED Cc1ccc([C@H](CNc2ccc(C#N)cc2F)N(C)C)cc1 301141340 IIUOPWRMMMVQEG-SFHVURJKSA-N 297.377 3.721 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(c2cccc(C#N)n2)C1 301816214 DNIROILQIVHXEN-BLLLJJGKSA-N 281.334 3.680 30 20 CHED N#Cc1cccc(Nc2cccc(CC(F)(F)F)c2)n1 301827540 JRNVXOYHDMODSM-UHFFFAOYSA-N 277.249 3.802 30 20 CHED CC[C@@H](C)Oc1cc(CNc2cccc(F)c2C#N)ccn1 302015003 BUVBTSNKKRMKMX-GFCCVEGCSA-N 299.349 3.882 30 20 CHED CCC1(CNc2cc(C(C)=O)ccc2C#N)CCC1 302086933 FJINHXLVXKJJED-UHFFFAOYSA-N 256.349 3.753 30 20 CHED Cc1cc(C(=O)Nc2cccc(CC#N)c2)sc1C 313448530 VOCGKMXOENRIET-UHFFFAOYSA-N 270.357 3.683 30 20 CHED COc1ccc2c(c1)[C@H](Nc1ccc(C#N)cc1F)CCO2 316705968 CQMPDTINLSKWFT-OAHLLOKOSA-N 298.317 3.642 30 20 CHED CCc1cnccc1[C@@H](C)/N=C(/O)CCC1CCOCC1 329169328 JOVRBJKGUVDNOF-CYBMUJFWSA-N 290.407 3.868 30 20 CHED CCc1cc(C(O)=Nc2cccc3c2CCCC3)cc(O)n1 329232894 GLGUCSVVYLIVFJ-UHFFFAOYSA-N 296.370 3.865 30 20 CHED C[C@H](/N=C(/O)C[C@@H]1CCOC1)c1cc2ccccc2o1 329781612 NJOBQKAZEBJPDQ-RYUDHWBXSA-N 273.332 3.877 30 20 CHED CCc1cnc(N=C(O)c2scnc2C(C)C)s1 331327546 PMTFQXVKQYJQJK-UHFFFAOYSA-N 281.406 3.922 30 20 CHED C[C@H](O)[C@H](C)Sc1c(C#N)cnc2c(Cl)cccc12 335479992 ATSGKEHAFPRSJV-IUCAKERBSA-N 292.791 3.621 30 20 CHED C[C@H](N[C@@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1 336160508 NXQZLJCDRAYJLI-YVEFUNNKSA-N 296.345 3.872 30 20 CHED CSc1ccsc1C(=O)N(C)c1ccc(C#N)cc1 336166099 RCXSTQLLFZWBSZ-UHFFFAOYSA-N 288.397 3.618 30 20 CHED CC1(C#N)CCC(NCc2ccc3c(n2)CCCC3)CC1 336213132 FHGORRVRLRKGAM-UHFFFAOYSA-N 283.419 3.522 30 20 CHED COc1cccc2c(CN3CCC(C#N)CC3)cccc12 336226061 KYKIXUSOIJAFOQ-UHFFFAOYSA-N 280.371 3.584 30 20 CHED CCc1c(C)sc(NC(=O)c2c(C)coc2C)c1C#N 336415842 KCNRLQOJGZKWRN-UHFFFAOYSA-N 288.372 3.953 30 20 CHED Cc1ccc(Cl)cc1NC(=O)c1cc(C#N)oc1C 336581024 HWAMVPLEGAVRQR-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CN(C(=O)CCCC1CCCC1)c1ccccc1C#N 337843745 HDDCAWNFCIKXHG-UHFFFAOYSA-N 270.376 3.882 30 20 CHED CC[C@H]1CCCC[C@H]1c1noc(CSCC#N)n1 341173142 NLSHWAKWPOBWJQ-WDEREUQCSA-N 265.382 3.510 30 20 CHED C=C1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)CC1 342100289 XTSWHPRYHNOCCB-UHFFFAOYSA-N 298.411 3.911 30 20 CHED CC(=O)c1ccccc1OCc1ccc(CC#N)cc1 342520454 HEFKGKDXRVTRES-UHFFFAOYSA-N 265.312 3.534 30 20 CHED CC(C)COc1cccc(CN(CCC#N)CC2CC2)c1 342759787 YSALUVAWIVKHEF-UHFFFAOYSA-N 286.419 3.847 30 20 CHED N#Cc1ccc(NCc2ccc(OC3CCCC3)cc2)cn1 343146065 YFGPIBBQYRWNDJ-UHFFFAOYSA-N 293.370 3.887 30 20 CHED CCO[C@@H](CC(=O)Nc1sc(CC)cc1C#N)C(C)C 348574880 HHCAGFZLDAETDV-ZDUSSCGKSA-N 294.420 3.572 30 20 CHED CCSc1ccc(C(=O)N(CC#N)C2CCCC2)cc1 349492740 FFLPLUNBVYDVDO-UHFFFAOYSA-N 288.416 3.707 30 20 CHED N#Cc1cccnc1/C=C\c1cnc(-c2ccccc2)[nH]1 352005691 FBQPUDPGSMNGIB-HJWRWDBZSA-N 272.311 3.514 30 20 CHED C[C@H]1CC[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 352861840 KKOFNUUGDFFLMW-GXFFZTMASA-N 282.309 3.855 30 20 CHED Cc1cc(NCc2nc(C#N)cs2)ccc1C1CC1 352899149 QGZKEVYUMMCYGF-UHFFFAOYSA-N 269.373 3.813 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cccc(C(C)C)n1 353775126 ILIRGQLTXKOKOA-UHFFFAOYSA-N 279.343 3.637 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H](C)C1 355131570 JAQYPOIVWLCERA-CHWSQXEVSA-N 260.356 3.565 30 20 CHED C=CCCC1(C(=O)Nc2cccc(Cl)c2O)CC1 356564630 KOEFJUGHXBVDHB-UHFFFAOYSA-N 265.740 3.731 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H]1CC 358950215 HDXULXBJJHFCLA-CQSZACIVSA-N 274.412 3.501 30 20 CHED CCc1c(C)sc(NC(=O)CC[C@@H](C)SC)c1C#N 359020505 QOJSVZNKGUTVGI-SECBINFHSA-N 296.461 3.961 30 20 CHED C=CC[C@@H](CO)CN[C@@H]1CCC(C)(C)c2ccccc21 360647852 OCTBNNVRCAKRCP-RHSMWYFYSA-N 273.420 3.573 30 20 CHED CCC(CC)CN(CCC#N)CCCC1CCOCC1 361464327 IRYLNEVPHBUNTF-UHFFFAOYSA-N 280.456 3.845 30 20 CHED CC1CCC(N(C)Cc2ccc(C#N)c(F)c2)CC1 361693174 QRSPXVPPZVQSTC-UHFFFAOYSA-N 260.356 3.708 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C[C@@H]2CCOC2)C1 367404772 RVBGXJNELRNSCA-NXHRZFHOSA-N 298.430 3.758 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H](C[C@H]2CCOC2)C1 369367742 CGIYJNPHJBGEKY-DLBZAZTESA-N 292.467 3.845 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CCC[C@H]1C1CCCC1 376992208 HMGXUYZGGUALML-HNNXBMFYSA-N 291.439 3.681 30 20 CHED C#Cc1cccc(NC(=O)[C@H](CC)CC(F)(F)F)c1 402720971 MQKBJZAIUUMMAR-LLVKDONJSA-N 269.266 3.585 30 20 CHED CCCCN(CCCC)CCCC1(C#N)CCOCC1 410297476 BKSXZZOUMDSGBK-UHFFFAOYSA-N 280.456 3.989 30 20 CHED CC(C)(CC(=O)Nc1ccccc1CC#N)C1CC1 410828674 OLEYJOYLFMPKJI-UHFFFAOYSA-N 256.349 3.517 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)C)c2ccccc12 411259285 NDKQCFPSIJSPAQ-GOSISDBHSA-N 280.371 3.816 30 20 CHED Cc1nc(NCC(C)(C)OCC2CC2)c(Cl)cc1C#N 413516301 PYCWRLYVKODGKK-UHFFFAOYSA-N 293.798 3.532 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1nccc2ccccc12 414171858 VMJDPESGKALJIO-ZDUSSCGKSA-N 267.376 3.825 30 20 CHED CCc1c(C)sc(NC(=O)[C@H](C)CC(F)F)c1C#N 415115277 DLUKKMKZJUEPQA-SSDOTTSWSA-N 286.347 3.720 30 20 CHED C[C@@H]1CC[C@H](C(=O)N2CCc3cc(C#N)ccc32)C[C@H]1C 416014930 PYKYSTLIIOYJFW-IOASZLSFSA-N 282.387 3.520 30 20 CHED C=C(C)CCc1noc([C@@H]2C[C@H]2c2ccccc2OC)n1 420506616 SRTLFZSLYPLFPU-UONOGXRCSA-N 284.359 3.858 30 20 CHED CS[C@@H](CNCc1ccc(C#N)c(F)c1)C(C)(C)C 421350927 ZDJZXXNHOOFRPK-AWEZNQCLSA-N 280.412 3.565 30 20 CHED CCc1nc(C)c([C@@H](C)NCc2ccc(C#N)s2)s1 421881782 PGLFEAWNTBQQJH-SECBINFHSA-N 291.445 3.798 30 20 CHED C=CC[C@H](C)N[C@@H](Cc1ccncc1)c1cccs1 424281308 IKURKGOYRXLLMO-ZFWWWQNUSA-N 272.417 3.981 30 20 CHED N#Cc1cccc(OCc2ncccc2C(F)(F)F)c1 428072256 RVQNTLWGEQKQKU-UHFFFAOYSA-N 278.233 3.551 30 20 CHED C=CCN(CCC#N)C[C@H](c1ccccc1)C(C)C 430098817 WWXYYVRTYOSSFH-KRWDZBQOSA-N 256.393 3.828 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1ccc(O)cc1OCCC 430473692 CNGCBHMHBRFYSO-LBPRGKRZSA-N 277.364 3.722 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)oc1C)c1ccc(C)cc1 435387980 CZKQXDPUTAFPGC-INIZCTEOSA-N 282.343 3.649 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCC1(CCOC)CCCCC1 435743015 XWEVNSBVHKSOHQ-IRXDYDNUSA-N 295.467 3.544 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CC(c2ccc(C)cc2)C1 436313419 WVFXAXPATQDFLN-MKCYZYCBSA-N 285.431 3.812 30 20 CHED C=CCCCCNC(=O)N[C@H]([C@H](C)CC)C(F)(F)F 446292770 KDCOHEUYUOPLOM-GHMZBOCLSA-N 280.334 3.619 30 20 CHED CCN(CC#Cc1ccc(F)cc1)C1CCCCC1 446759802 HGMJSXWBROSGLN-UHFFFAOYSA-N 259.368 3.832 30 20 CHED CC[C@@H](NC[C@@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1 448024230 XEZULHAGQVDZNO-MSOLQXFVSA-N 299.462 3.719 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 448559248 SPQOUPKZIFRMEJ-CABCVRRESA-N 273.376 3.514 30 20 CHED C[C@H](C#N)CN(C)Cc1cnc(-c2ccccc2F)s1 449017422 PTXLZQLXJQJVDZ-LLVKDONJSA-N 289.379 3.541 30 20 CHED C=CCCCC[C@@H](C)NC[C@H]1CCC[C@@H](CO)C1 449328508 FRYVFYUNXHWERT-OWCLPIDISA-N 253.430 3.510 30 20 CHED C=CCSc1ccccc1C(=O)N1CC[C@H](SC)C1 452552658 OEDZRBFBVCLVEP-LBPRGKRZSA-N 293.457 3.542 30 20 CHED N#Cc1ccc(NCc2nnc(C3CC3)s2)cc1Cl 453058778 KARHLPUBTPZBLI-UHFFFAOYSA-N 290.779 3.553 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 454274351 VOHWIJWPHRYWQS-NSHDSACASA-N 298.333 3.614 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(CC#N)c1 456761164 XRHVNOBKHNHALO-GJZGRUSLSA-N 296.395 3.865 30 20 CHED CCO[C@H](CC(=O)Nc1cc(C)cc(C#N)c1)C1=CCCC1 456957186 DITQBQLFJNQUGB-QGZVFWFLSA-N 298.386 3.711 30 20 CHED Cc1cc([C@H](C)NC(=O)N(C)CC(C)(C)C#N)c(C)s1 457761264 ZUNVDXHGONZYPK-NSHDSACASA-N 293.436 3.617 30 20 CHED C=CC[C@@H](C(=O)NCc1ccc(C)c(C)n1)c1ccccc1 458022259 ZVAIFZXMEVZESV-GOSISDBHSA-N 294.398 3.675 30 20 CHED CC(C)(CC#N)CNC(=O)c1cc(F)c2ccccc2c1 458046995 WFHFJEMUMXKFKW-UHFFFAOYSA-N 284.334 3.649 30 20 CHED CC(C)CC[C@H]1CCCCN1C(=O)NCC(C)(C)CC#N 459262652 VPDVVUKZLXMLRN-OAHLLOKOSA-N 293.455 3.927 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1C#N 459832629 JMAPHAQLNFYSQQ-TZMCWYRMSA-N 256.349 3.713 30 20 CHED CC1(C)CCCN(C[C@@H]2C[C@H]2c2ccccc2)[C@H]1C#N 463204252 QZLQTBMAHBDTLP-ULQDDVLXSA-N 268.404 3.804 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1(CC)CC 463234459 JLSJHCMCBYGACU-XUWVNRHRSA-N 278.440 3.642 30 20 CHED C=CC[C@@H](CC)NCc1ccc(OCC(F)F)cc1 466379920 IBMJGYBXMXXWEK-CYBMUJFWSA-N 269.335 3.775 30 20 CHED C=CC[C@H](CC)NCc1nc2cc(Cl)ccc2n1C 466402530 XQYYVGIIKBNZLW-LBPRGKRZSA-N 277.799 3.671 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(Cl)cc1F 467905107 ZVBIULYGCSUOHN-AWEZNQCLSA-N 269.747 3.698 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccccc1N(C)C(C)C 467905270 CNUQGYGMWWHTCQ-GOSISDBHSA-N 288.435 3.750 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(C)cc1SC 467995358 PNDLFTJJRJJLFS-MRXNPFEDSA-N 277.433 3.935 30 20 CHED CC[C@H](C)[C@@H](NC(=O)[C@@H](C)C#N)c1ccc(Cl)cc1 469717864 PEDCIKXEMDWZBO-COPLHBTASA-N 278.783 3.703 30 20 CHED CCCC(CCC)S(=O)(=O)CCCC(C)(C)C#N 474919200 PCAATYOVCVDXHV-UHFFFAOYSA-N 273.442 3.700 30 20 CHED C=CCCC1(C(=O)N2CCO[C@H](C3CCCCC3)C2)CC1 476678639 SYUBNBAJEUGRQA-INIZCTEOSA-N 291.435 3.541 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 478911995 PYCMGTRKNJVQAV-CQSZACIVSA-N 285.391 3.848 30 20 CHED Cc1ccc2sc(C(=O)N[C@]3(C#N)CC3(C)C)c(C)c2c1 484904431 AHILFQVVLYONBL-KRWDZBQOSA-N 298.411 3.940 30 20 CHED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@H](C)C1CCCCC1 486206267 VJABRVBMMCMYBB-XJNFMUPTSA-N 293.451 3.689 30 20 CHED CSc1ccccc1[C@@H](C)N=c1ccc(C#N)c(C)[nH]1 487718782 JDARCFFSALFYMS-GFCCVEGCSA-N 283.400 3.579 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1c1ccc(C#N)c(C)n1 488090341 AELUSUFGBVAKTI-WFASDCNBSA-N 257.381 3.667 30 20 CHED CC(C)[C@@H]1N(c2cccc(F)c2C#N)CC12CCC2 488502806 UJHZEXZHNXWHQN-HNNXBMFYSA-N 258.340 3.712 30 20 CHED C=C(C)CNC(=O)N(CC)C[C@@H](CC)c1ccccc1 488577991 YGXGZUDBDLHEJC-OAHLLOKOSA-N 274.408 3.788 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 488844355 WVXFSPIZWHNWBO-RWMBFGLXSA-N 289.341 3.922 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)OC1CCCCCC1 489929171 AFLGIGFFLLBXLV-AWEZNQCLSA-N 281.440 3.833 30 20 CHED C=C(C)CNC(=O)c1cc(C(C)C)nc2ccccc12 490022651 CRUPKFJKSWIOFJ-UHFFFAOYSA-N 268.360 3.664 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)CC(F)(F)F)c1ccccc1 490241731 FUDWKBIRPHJAFN-WCQYABFASA-N 285.309 3.803 30 20 CHED CN(CC(C)(C)C#N)C(=O)CC1CC(c2ccccc2)C1 497368261 OQOSETYULNWDQK-UHFFFAOYSA-N 284.403 3.578 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H](CC)CCC 497703119 JUXMUYXXEXYRKV-CQSZACIVSA-N 278.396 3.598 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N(CC)C[C@@H](C)C#N 499395075 WRNQEMZWXQDSFH-GOEBONIOSA-N 278.440 3.991 30 20 CHED C=CC[C@H](CC)N[C@@H](C(=O)N(CC)CC)c1ccccc1 500815944 NDLWMGYIDQBAGD-DLBZAZTESA-N 288.435 3.540 30 20 CHED CC#CCCCC(=O)NC(C)(C)c1ccccc1C 508059004 OWEPDDPYFAFWRB-UHFFFAOYSA-N 257.377 3.540 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cccc(OCCC(C)C)c1 508439102 PNWYXAXNFJGDOI-QGZVFWFLSA-N 288.391 3.990 30 20 CHED C=C(C)CCN1CC[C@@H](c2c(F)cccc2F)C1 509625707 ZYPCBPDRODUSFU-GFCCVEGCSA-N 251.320 3.720 30 20 CHED N#CC1(F)CCN(Cc2cccc(Cl)c2Cl)CC1 510947502 DZGFVUOMFJEYIW-UHFFFAOYSA-N 287.165 3.821 30 20 CHED C=C(CNC(=O)N(C)[C@@H](C)C1CCC1)c1ccccc1 512662032 VOZJVPWAOZTOMO-AWEZNQCLSA-N 272.392 3.530 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)s2)C1 513061568 BNYSWOFVPJBWHI-CQSZACIVSA-N 282.412 3.918 30 20 CHED C=CCCCCCNC(=O)Cc1cccc(OC(F)F)c1 515070037 WVVMTUGWXUXWQV-UHFFFAOYSA-N 297.345 3.693 30 20 CHED CCC(CC)N(CCOc1ccc(C#N)cc1)C1CC1 523224767 VETJLANVZLWBAZ-UHFFFAOYSA-N 272.392 3.590 30 20 CHED C=CCCCCCN(C)CC(=O)N[C@H](C)c1ccccc1 523565052 JDWQFIJIFUMLPF-MRXNPFEDSA-N 288.435 3.542 30 20 CHED C[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)c1cccc(F)c1 525113967 GFVAFQBXDGNRTL-QWHCGFSZSA-N 296.345 3.678 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2ccc(CC#N)cc2)cc1 536087663 GMQGNKBJDHWNMO-CQSZACIVSA-N 278.355 3.552 30 20 CHED C=C[C@H](CC(=O)NC(C)(C)C1CC1)c1ccccc1 536566458 BJFIEAQKLXBBQF-CYBMUJFWSA-N 257.377 3.651 30 20 CHED CC(C)C1CCC(NCc2ccc(C#N)s2)CC1 537317266 FRCMFDDHOYIPGD-UHFFFAOYSA-N 262.422 3.924 30 20 CHED C=C(CC)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 541703696 NKSSZHDLRWBUJB-IRXDYDNUSA-N 277.383 3.944 30 20 CHED Cc1ccnc(N2CCC[C@H]2CCc2ccccc2)c1C#N 543134766 WKJNFYPBEXJVCA-KRWDZBQOSA-N 291.398 3.863 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2cc(C#N)ccc2[N+](=O)[O-])o1 546636263 LWRPRYBTLFXGPF-GXFFZTMASA-N 297.314 3.795 30 20 CHED C[C@H]1CCCC[C@@H]1c1noc(COc2ccccc2C#N)n1 547102483 DDJQLACMDNIHLD-JSGCOSHPSA-N 297.358 3.814 30 20 CHED CCN(CC#Cc1cccc(Cl)c1)C1CCCC1 551708298 QEZFBADPFQRTBB-UHFFFAOYSA-N 261.796 3.956 30 20 CHED N#Cc1cc(=NC2CCC(c3ccccc3)CC2)cc[nH]1 557520337 ZQBLMULZIKCCJY-UHFFFAOYSA-N 277.371 3.513 30 20 CHED Cc1cc(C)c(CNc2snc(C)c2C#N)c(C)c1 557557061 GWAMXMKIOHCYGF-UHFFFAOYSA-N 271.389 3.861 30 20 CHED Cc1ccc2[nH]c(CN(C)CC(C)(C)C#N)cc2c1C 560569885 VUSLOMKUJUMIRG-UHFFFAOYSA-N 269.392 3.766 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 563790431 IKPDVJGSUDRKJD-MQMHXKEQSA-N 283.762 3.965 30 20 CHED C[C@@H]1C[C@]1(C#N)c1nc(C(C)(C)C2=CCCCC2)no1 565463573 WQKZFSVETYIZLO-BDJLRTHQSA-N 271.364 3.649 30 20 CHED C[C@@H](CCC(C)(C)C)NCCc1cccc(C#N)c1 569753725 ZMXDTSHCVQRRNF-AWEZNQCLSA-N 258.409 3.905 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2cccc(F)c2C1 572866895 XFILWLPGOLSGQE-CYBMUJFWSA-N 290.382 3.638 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 573261599 MNAMGSZMKSZDQU-YEORSEQZSA-N 285.297 3.590 30 20 CHED C=CCC1(CNC(=O)Cc2ccc3c(c2)COC3)CCCC1 573777632 BSMKPDUNJNJGTE-UHFFFAOYSA-N 299.414 3.512 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)c2ccc(C3CC3)cc2)n1 576568917 FJCOEXLIAXMDFD-LBPRGKRZSA-N 278.359 3.707 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N(CC)CCC1CC1 579288555 FOUUBYKNFBPBHJ-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED CC[C@@H](NCc1ccc(C#N)cn1)C(C)(C)c1ccccc1 580565569 AKBHROGUNGLJJZ-GOSISDBHSA-N 293.414 3.799 30 20 CHED N#CCc1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1 582108310 KZZVLJNSXOCVTC-UHFFFAOYSA-N 290.366 3.811 30 20 CHED CC(C)Oc1ccccc1C[S@@](=O)CCC(C)(C)C#N 583906598 KLTNGRQXLQGBJL-FQEVSTJZSA-N 293.432 3.662 30 20 CHED Cc1cc(Cl)ccc1/C=C\C(=O)c1cccnc1 588477037 ZPDKMMUDMXKZBU-ALCCZGGFSA-N 257.720 3.940 30 20 CHED N#CCCCCCC(=O)Nc1ccc(C(F)(F)F)nc1 588951561 MXRUZZYWSVPYFX-UHFFFAOYSA-N 285.269 3.513 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2cccc(C)c2F)cc1 589075190 GGZZVVRGCGOTMB-INIZCTEOSA-N 296.345 3.691 30 20 CHED CC(C)c1ccc(-c2noc(-c3cccc(C#N)n3)n2)cc1 589360959 YFHWKIKURPJODX-UHFFFAOYSA-N 290.326 3.794 30 20 CHED Cc1[nH]c(=Nc2ccc(COC(C)(C)C)cc2)ccc1C#N 589864284 VIUVTGNGFQNTAF-UHFFFAOYSA-N 295.386 3.742 30 20 CHED C[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[C@H]1C 590748475 AUVRFPIOKHFAJB-VNVHMNPZSA-N 296.414 3.734 30 20 CHED CCCCN(C(=O)[C@H](C#N)CC)[C@@H](C)c1ccccc1 593428257 YRNNQCLREWEMCM-GJZGRUSLSA-N 272.392 3.926 30 20 CHED CC[C@@H](C#N)C(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C 593704294 DFIMWEPLHBKOTJ-WFASDCNBSA-N 292.810 3.746 30 20 CHED CC[C@@H](NC1(C2CCC2)CC1)c1ccc(C#N)cc1 593718411 HZABMOXDFHMJSG-MRXNPFEDSA-N 254.377 3.932 30 20 CHED Cc1cnc([C@H](N[C@H](C#N)c2ccccc2)C2CC2)s1 595429528 FXLWWIGOCKPXEU-HUUCEWRRSA-N 283.400 3.757 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC([C@@H]2CCCCO2)CC1 595783352 MTUCTKVMYSLQPO-ROUUACIJSA-N 284.403 3.532 30 20 CHED Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H](CC#N)C1 596630475 SSEOBWJZDJFLCK-LBPRGKRZSA-N 291.782 3.806 30 20 CHED CC(C)(C#N)C[C@H](O)CN(Cc1ccsc1)C(C)(C)C 598625071 KREFQMIWGPFRDR-AWEZNQCLSA-N 294.464 3.649 30 20 CHED CCC(C#N)(CC)C(=O)NCCCCC1CCCC1 599607030 IXLYTCCOYUOLBX-UHFFFAOYSA-N 264.413 3.793 30 20 CHED Cc1nc(S[C@H](C#N)C2CC2)n(CC(C)C)c1C 601071830 ASVOGUGZKXULEJ-CYBMUJFWSA-N 263.410 3.550 30 20 CHED C[C@@H](CCC#N)CN1CCO[C@H](c2ccccc2Cl)C1 602462642 NUDBRECRSQPGNP-BBRMVZONSA-N 292.810 3.653 30 20 CHED Cc1ccc(NC(=O)C2CC2)cc1NC[C@@H](C)CCC#N 602492232 DVJDUUSINRLIFV-LBPRGKRZSA-N 285.391 3.695 30 20 CHED CCC[C@@H](NCc1cccc(C#N)n1)c1ccccc1 602504239 OAOXBXMPKDBHGB-QGZVFWFLSA-N 265.360 3.584 30 20 CHED C[C@H](NC(=O)NC[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 604430296 UEZLLLYUEOGNBE-ZQIUZPCESA-N 299.418 3.745 30 20 CHED C=CCCCCCN(C)C(=O)COc1cc(C)ccc1C 606816423 WGUARPJQJIRTHV-UHFFFAOYSA-N 289.419 3.887 30 20 CHED CC1CCC(N(C)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 610406925 KGAYAGDHJCJKAI-XOYHFGRZSA-N 299.418 3.839 30 20 CHED COc1ccccc1CCCN[C@H](C)c1cccc(C#N)c1 611550110 ZETSVRFLDMHHOP-OAHLLOKOSA-N 294.398 3.850 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCCCS1 612416812 XTELSMOMEGLARG-DOTOQJQBSA-N 286.444 3.811 30 20 CHED C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cccs1 614464743 HVEDIQVNIQZVRH-VIFPVBQESA-N 290.775 3.764 30 20 CHED C=CCCNC(=O)[C@@H](CC)Oc1ccccc1C(C)C 617615399 KLNHRXDISIJQIA-OAHLLOKOSA-N 275.392 3.660 30 20 CHED Cc1cc(CN2CC[C@@H]2c2cccc(F)c2)ccc1C#N 618594335 GZKDAEXDXVCUOE-GOSISDBHSA-N 280.346 3.953 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc2cccnc12 618742007 OSMVCRZBNCEJJS-LJQANCHMSA-N 299.377 3.884 30 20 CHED CCc1cccnc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 618808124 ZEMBFOVDWSLCQX-UGSOOPFHSA-N 291.398 3.854 30 20 CHED CSC1(CNc2nc(C(C)(C)C)ccc2C#N)CCC1 618976290 REBHKKMYYOWNSP-UHFFFAOYSA-N 289.448 3.948 30 20 CHED C=CCC1(NC(=O)[C@H]2CCc3ccc(OC)cc32)CCCC1 619110274 CELVEHATCRLGIA-INIZCTEOSA-N 299.414 3.730 30 20 CHED C=CCC1(NC(=O)c2cccc([C@H]3CCOC3)c2)CCCC1 619110377 DTFWGGFSISJMLE-KRWDZBQOSA-N 299.414 3.809 30 20 CHED C=CCC1(NC(=O)[C@H]2CCCC(F)(F)C2)CCCC1 619110688 NDRKGZHMUBRTRJ-LBPRGKRZSA-N 271.351 3.817 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 626851556 XRFBLISNRCDQTO-HRCADAONSA-N 257.377 3.569 30 20 CHED C=CC1CCN(C(=O)C/C=C/Cc2ccccc2)CC1 635548403 QLQGPVJKMJONEH-VOTSOKGWSA-N 269.388 3.600 30 20 CHED C=CCC1(C(=O)N(CC)CCC(F)(F)F)CCCC1 648895727 XWLWXUQOGQSOBR-UHFFFAOYSA-N 277.330 3.924 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1c(C2CC2)cnn1C 658213277 QJXSTASKDRGODA-GOEBONIOSA-N 273.424 3.522 30 20 CHED C=CCCNC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 661569181 HQCYRVWYJFIKBR-HOTGVXAUSA-N 272.392 3.588 30 20 CHED C=CCC1(NCCc2nc3ccccc3n2C)CCCC1 661852337 RHXOWCCNDGWGBB-UHFFFAOYSA-N 283.419 3.594 30 20 CHED C=CCCNC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 665941345 XEYZJVBZPZZKFV-DLBZAZTESA-N 286.419 3.930 30 20 CHED C=C[C@@H](C)N[C@@H]1CCc2ccc(OC(F)(F)F)cc21 675934350 QTTRGILWBLKFIR-NOZJJQNGSA-N 271.282 3.737 30 20 CHED C#C[C@H](CC)NC(=O)c1sc2cc(F)ccc2c1Cl 700594883 LBERSSPMHSDJDJ-SECBINFHSA-N 295.766 3.835 30 20 CHED C=C(Br)COc1cc(F)cc(Cl)c1 703758353 ZFBZIUFLUPXJLX-UHFFFAOYSA-N 265.509 3.767 30 20 CHED CC1(C)CCCC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 720285227 VEMRKJXEHQKEQX-AWEZNQCLSA-N 274.339 3.852 30 20 CHED N#Cc1ccc(CN[C@@H](C2CCCC2)C2CC2)cc1 723960931 SJHLRBUPOMYTSH-KRWDZBQOSA-N 254.377 3.617 30 20 CHED CCCC(Cc1ccccc1)=NNc1ccc(Cl)nn1 727250712 UJXCURBKORONLL-UHFFFAOYSA-N 288.782 3.941 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]2C)c1 728248018 CBXOBKSGLZMLGP-HNAYVOBHSA-N 289.378 3.857 30 20 CHED Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1cccc(F)c1 728437473 DXTJONUIIXJHBS-WAYWQWQTSA-N 299.132 3.762 30 20 CHED C=CCCOC(=O)c1cc2cc(Br)ccc2[nH]1 729072451 NEIQOUIYDZFGOH-UHFFFAOYSA-N 294.148 3.663 30 20 CHED COc1ccc(-c2ccc(C(=O)O[C@@H](C)C#N)c(F)c2)cc1 730351870 WGCWTWXUAKBVLR-NSHDSACASA-N 299.301 3.570 30 20 CHED N#CCC[C@H](C#N)CNc1cccc(N2CCCCC2)c1 732918264 BGKAYXDMTRYKRJ-OAHLLOKOSA-N 282.391 3.532 30 20 CHED CCC(CC)NN=C(C)c1c(C)nn(C(C)C)c1C 734364882 JLYOWTVLTOFIML-UHFFFAOYSA-N 264.417 3.583 30 20 CHED C=CCNC(=S)N1CCCCC[C@H]1c1ccc(CC)o1 739446536 TUBJOKASFHNFQP-AWEZNQCLSA-N 292.448 3.820 30 20 CHED CCO[C@H]1CC(=NNc2cc(F)c(F)cc2F)C12CCC2 741164719 XGUQOTCNQKFGME-AWEZNQCLSA-N 298.308 3.851 30 20 CHED CCC(=NNc1cc(Cl)nc(C)n1)c1ccccc1 741765339 DCNWJAWCJPPHFT-UHFFFAOYSA-N 274.755 3.665 30 20 CHED CCC(=NNc1cccc(C)c1)c1c(C)nn(C)c1C 741838304 SRWXQODJDXPVIM-UHFFFAOYSA-N 270.380 3.572 30 20 CHED C=CCOC(=O)/C=C(\CC)c1cccc(Cl)c1 745752441 FCTUIWZXYBOIHE-ZHACJKMWSA-N 250.725 3.863 30 20 CHED O=C(O)c1ccc(C=NNc2cccc3ccccc23)cc1 747060497 TZRRQTUDUDAAQS-UHFFFAOYSA-N 290.322 3.984 30 20 CHED CC1(C)C(=NNc2cc(F)c(F)c(F)c2)[C@H]2CCCO[C@@H]21 747641813 FQHYDJPINCQECC-OTYXRUKQSA-N 298.308 3.707 30 20 CHED C=CCCCC(=O)O[C@H](C)c1nnc(-c2cccs2)o1 748233497 BMOZZFKMEORULE-SNVBAGLBSA-N 292.360 3.759 30 20 CHED C[C@@H]1CC(C)(C)CCC1=NNc1nc(-c2ccncc2)no1 748248378 DTJOAKNCKGUVPN-LLVKDONJSA-N 299.378 3.746 30 20 CHED CC(=NOCC(C)C)c1ccc2ccccc2c1O 749631296 KCJUJDIIPATVEE-UHFFFAOYSA-N 257.333 3.942 30 20 CHED C#Cc1cccc(N(Cc2ccco2)C(=O)/C(C)=C\C)c1 751120648 SQTWMUFIINNJPW-CPSFFCFKSA-N 279.339 3.760 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(C)cc(C(F)(F)F)c1 753259091 OECFMWVPAQXZBZ-UHFFFAOYSA-N 292.688 3.888 30 20 CHED CCCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)C1CCCCC1 753935199 MFFKFJFEEFYCGC-HOTGVXAUSA-N 290.455 3.583 30 20 CHED CC(C)=CCC[C@H](C)CC=NNC1=N[C@@H]2CCCC[C@@H]2N1 753937757 GFKGVPQHRMOUHM-HRCADAONSA-N 290.455 3.605 30 20 CHED CC(C(=O)OCc1ccc(F)cc1C#N)=C1CCCC1 754161760 LTWMAEZKYILPRX-UHFFFAOYSA-N 273.307 3.631 30 20 CHED Clc1cccc(-c2n[nH]cc2C=NNc2ccccn2)c1 755519870 QVIARDHLYGCSJT-UHFFFAOYSA-N 297.749 3.571 30 20 CHED CC(C)c1nc(C#N)c(NN=C[C@H]2CCc3ccccc32)o1 755674731 SCGWMONYTGQJFD-CYBMUJFWSA-N 294.358 3.797 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)OCC1(CC#N)CC1 755706003 HIUPTPOXFHVRRJ-LBPRGKRZSA-N 251.370 3.686 30 20 CHED C(=NNCc1ccc(-c2ccccc2)cc1)C1CCOCC1 755763982 SNPSXKRKYTZVFH-UHFFFAOYSA-N 294.398 3.856 30 20 CHED C=C(C)[C@H](CC(=O)O[C@H](C)c1ccc(F)cc1F)OCC 756470590 MFTINRVDKLYQCG-ABAIWWIYSA-N 298.329 3.940 30 20 CHED C=C(C)[C@H](CC(=O)OCc1cnc2ccccc2c1)OCC 756549434 DDCJSYRGYGILLJ-KRWDZBQOSA-N 299.370 3.649 30 20 CHED COCCC(=NNc1nc(C(F)(F)F)cs1)C(C)C 756827580 PRFQJTBKDGUCKD-UHFFFAOYSA-N 295.330 3.622 30 20 CHED C(=NNC1CC1)c1ccc(-c2nc3ccccc3s2)o1 758129336 LMTDRJHUXOROND-UHFFFAOYSA-N 283.356 3.642 30 20 CHED C#CCCCCNC(=O)c1ccc([C@H](C)CC)cc1 758639128 CRAHXBBSFLHEKL-CQSZACIVSA-N 257.377 3.733 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(-n2ccnc2)cc1 759008097 QMCLGCLTLANUPX-UHFFFAOYSA-N 296.370 3.684 30 20 CHED C#CCOc1cccc(-c2noc(C(C3CC3)C3CC3)n2)c1 761785467 NCWVJIXMPHXXNQ-UHFFFAOYSA-N 294.354 3.652 30 20 CHED CC(=NNc1ccc(C(=O)O)cn1)[C@@H](C)C1CCCCC1 763367766 HBSRQQIDXKHJHJ-LLVKDONJSA-N 289.379 3.784 30 20 CHED C=CCOc1ccc(COC(=O)CCC(C)(F)F)cc1 763644036 ODPWAZGHLLPXAV-UHFFFAOYSA-N 284.302 3.730 30 20 CHED CCCCCCC[C@H](C)CN[C@H](C)[C@@H]1CCOC1 765255603 QPKSRSPSYSTXSA-ARFHVFGLSA-N 255.446 3.998 30 20 CHED C#CCOc1cccc(NC(=O)/C=C/C(=C/C)CC)c1 765453470 PHNMQOHPHDHQPI-XKRUKBQYSA-N 269.344 3.550 30 20 CHED C=CC[C@@H](N[C@@H](C)c1ccc(C)o1)c1ccncc1 766020925 REFZYUATJROISQ-DZGCQCFKSA-N 256.349 3.951 30 20 CHED Cc1cc(CNCCCOc2ccccc2F)ccc1C#N 767666574 SZADTZRSWNCATO-UHFFFAOYSA-N 298.361 3.565 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H]1CCC1CCCC1 767956994 ADCAFTXCWYCMOO-MRXNPFEDSA-N 276.424 3.544 30 20 CHED CC(CCC1CC1)=NNc1nc2ccccc2n1C 768771366 CVFAWYNPVYRDKX-UHFFFAOYSA-N 256.353 3.551 30 20 CHED C#C[C@@H](C)N(C)Cc1nc(-c2c(F)cccc2F)cs1 769962113 RNGOEDSSLJXUCO-SNVBAGLBSA-N 292.354 3.542 30 20 CHED C=CCN(C(=S)Nc1ccc(CC)cc1)C1CC1 771550618 YWJXRQMAIYPZSU-UHFFFAOYSA-N 260.406 3.596 30 20 CHED C#CCCCCC(=O)N1CCCC[C@H]1c1ccccc1OC 773332963 ICVOCYZBRJYHCO-KRWDZBQOSA-N 299.414 3.942 30 20 CHED C=C(CC)CN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 773448859 TWZHAVNOKHMPCE-LSDHHAIUSA-N 296.455 3.578 30 20 CHED C=C(CC)COC(=O)c1cc(F)c(F)cc1Cl 773476395 JHLXQETVUPMPCA-UHFFFAOYSA-N 260.667 3.741 30 20 CHED O=C(O)c1cccc(/C=C\C(=O)c2c[nH]c3ccccc23)c1 774117186 CMTJIWRXLZPLIL-HJWRWDBZSA-N 291.306 3.762 30 20 CHED CCO[C@H]1CC(=NOC2CCCC2)[C@@H]1Oc1ccccc1 774397980 BKFQXKJMYQBHCG-IRXDYDNUSA-N 289.375 3.558 30 20 CHED N#Cc1cccc(COC(=O)c2coc3ccccc23)c1F 774949653 LGTWHFNYZQFMOP-UHFFFAOYSA-N 295.269 3.801 30 20 CHED CC(C)CCOc1ccc(C(=O)OCC2(C#N)CC2)cc1 775825073 DACSIHOFIPVSBR-UHFFFAOYSA-N 287.359 3.572 30 20 CHED N#CC1(COC(=O)CCSc2ccccc2Cl)CC1 775828280 KTLHHBVRPKCELS-UHFFFAOYSA-N 295.791 3.669 30 20 CHED CCC(=CC(=O)OCc1ccc(CC#N)cc1)CC 776108440 SHFUNLVOPUILNT-UHFFFAOYSA-N 257.333 3.542 30 20 CHED Cc1ccc2c(CC(=O)OCCC(C)(C)C#N)c[nH]c2c1 776382759 YRJGPIBQSFOIRQ-UHFFFAOYSA-N 284.359 3.502 30 20 CHED O=c1ccccn1N=Cc1ccc(-c2cccs2)cc1F 776791143 GMSFILGYSONRLW-UHFFFAOYSA-N 298.342 3.598 30 20 CHED Cc1cc(C=NNc2cc(Cl)ccn2)ccc1F 777907033 LSFQWNBXUJYDQI-UHFFFAOYSA-N 263.703 3.629 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1nc(C)c(SCC#N)s1 779849416 HEJYJISTMRFVPN-HJWRWDBZSA-N 295.433 3.752 30 20 CHED C=CCCCC(=O)OCCCc1ccccc1OC 780066091 LTZBRRHKXBWWPJ-UHFFFAOYSA-N 262.349 3.527 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@H]1CCC=CO1 780150552 WSMMITYWHLFWPG-IIMQCXAKSA-N 267.328 3.657 30 20 CHED CC(C)=CCCC(C)=NNc1ncncc1Cl 780275482 PQQJSYZUVABZIG-UHFFFAOYSA-N 252.749 3.664 30 20 CHED CC(C)[C@H]1CCCCC1=NNc1ncncc1Cl 780280359 WQVHUQJSDCVFMY-SNVBAGLBSA-N 266.776 3.744 30 20 CHED CC(=NNc1ncncc1Cl)c1ccc(F)c(Cl)c1 780281823 VAVNTJPFTKQOEF-UHFFFAOYSA-N 299.136 3.759 30 20 CHED Cc1oc2ccccc2c1C=NNc1ncncc1Cl 780283022 OCSTXKMJOJUYJQ-UHFFFAOYSA-N 286.722 3.631 30 20 CHED Cc1ccc(CCCOC(=O)C2(C#N)CCCCC2)cc1 785232873 MEUCNZKPYLJYTQ-UHFFFAOYSA-N 285.387 3.945 30 20 CHED C=C[C@](C)(CC)C(=O)N1Cc2ccccc2[C@H](C)C1 785449302 IGYHHDGRDWMZMG-CXAGYDPISA-N 257.377 3.735 30 20 CHED COc1ccc(/C=C\C(=O)c2cncs2)cc1Cl 787173060 WUAJRWGKKDVZKS-RQOWECAXSA-N 279.748 3.701 30 20 CHED CCC[C@H](C=NOC[C@@H]1CCOC1)c1ccccc1 788037496 WDYWMJQALDEBDA-GDBMZVCRSA-N 261.365 3.609 30 20 CHED C#CCC1(C(=O)Nc2ccc(N(C)C)cc2C)CCCCC1 788436316 XDTBRXHUILBCLX-UHFFFAOYSA-N 298.430 3.973 30 20 CHED C#CCC1(C(=O)Nc2ncc(Cl)s2)CCCCC1 788512726 SBAVBAWZMIDMPQ-UHFFFAOYSA-N 282.796 3.709 30 20 CHED CC(C)C(=NNCCc1ccncc1)C1CCCCC1 789096522 ADVOEFSKUMSBTB-UHFFFAOYSA-N 273.424 3.806 30 20 CHED Cc1ccc2nc(/C=C/C(=O)c3ccccc3)cn2c1 789128288 RHOSCWYHACSOGW-CMDGGOBGSA-N 262.312 3.539 30 20 CHED C#CC[C@H](NCCCCOC(C)(C)C)c1ccccc1 789363024 RGJJONMPGPQDPT-KRWDZBQOSA-N 273.420 3.936 30 20 CHED C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1CCc1ccccc1 791066680 FPUVXTLOCCKUCK-QZTJIDSGSA-N 298.430 3.595 30 20 CHED CC1(CNN=Cc2sccc2Cl)CCCC1 793085092 XZZDCZYVSWWAOX-UHFFFAOYSA-N 256.802 3.905 30 20 CHED C[C@H](NN=Cc1sccc1Br)C(C)(C)C 793114013 DCSLRWQOOOXHPW-QMMMGPOBSA-N 289.242 3.869 30 20 CHED CC[C@H](C)CON=C(C)c1cc2c(s1)SCC(=O)N2 793145341 ILBTUZIMGAASQA-QMMMGPOBSA-N 298.433 3.579 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ccc(F)nc1 793227590 TVYDWQGLIOQLOX-UHFFFAOYSA-N 270.351 3.799 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2F)Cc2ccccc21 793498033 NYPQHDPGGYTRED-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED C[C@@H]1CSCC1=NNCc1ccc(C(F)(F)F)cc1 794894538 IBAATTZZEVHPNC-SECBINFHSA-N 288.338 3.534 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCC[C@@H]2CCF)c1 794924099 UOLPNMWKVFWKQG-SNVBAGLBSA-N 280.734 3.534 30 20 CHED C#CCOc1ccc(CNc2ccc(F)c([C@@H](C)O)c2)cc1 796524401 XRHRCEPNXKFWOW-CYBMUJFWSA-N 299.345 3.503 30 20 CHED CC(C)(CC#N)COC(=O)C[C@H](CC#N)c1ccccc1 796839717 GGRQFXFLBCSRBN-HNNXBMFYSA-N 284.359 3.557 30 20 CHED CC[C@@H](SC)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797567424 HUYRTJHTQCKDMR-NXEZZACHSA-N 296.461 3.758 30 20 CHED Cn1c(C(=O)OCC(C)(C)CCC#N)cc2ccccc21 798878381 WXFPGELPFPHDSF-UHFFFAOYSA-N 284.359 3.665 30 20 CHED CC(C)C[C@H](C)C=NNc1oc(C(C)(C)C)nc1C#N 799109576 GFAZDKMZFBSJJJ-NSHDSACASA-N 276.384 3.924 30 20 CHED CC(C)=C(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799446752 ZUKPULZYNYQWTR-UHFFFAOYSA-N 298.264 3.752 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1c(C)cc(C)cc1O 799864921 UQSXAJOGLHGLTM-UHFFFAOYSA-N 299.330 3.753 30 20 CHED CC(C)Sc1ccc(C(=O)/C=C\c2cn(C)cn2)cc1 800793243 ILFFEISWROFOBY-TWGQIWQCSA-N 286.400 3.817 30 20 CHED Cn1cc(-c2ccc(C=NNc3ccccc3)s2)cn1 800804171 SZMMWLHUAYVLJY-UHFFFAOYSA-N 282.372 3.595 30 20 CHED FCCC[C@@H]1CCCC1=NNCc1ccc(F)c(F)c1 800809913 CGLLIBSQLVFZFE-LBPRGKRZSA-N 284.325 3.960 30 20 CHED Cc1cn(-c2ccc(C#N)cn2)nc1NC[C@@H](C)C(C)(C)C 802649442 JQGCNLKBEAMAAY-CYBMUJFWSA-N 297.406 3.542 30 20 CHED N#Cc1sc(N[C@H]2CCc3cc(F)ccc32)nc1Cl 804372640 VSDKRELWDROFAQ-JTQLQIEISA-N 293.754 3.907 30 20 CHED CCCCCCCCC(=O)Nc1cc2n(n1)CCCC2 804755550 ZSVSFPSALLSVAG-UHFFFAOYSA-N 277.412 3.909 30 20 CHED O=C(O)c1cccc(C(=O)/C=C\c2cccc(Cl)c2)c1 806558570 GMTIDKHEGJGIBY-FPLPWBNLSA-N 286.714 3.934 30 20 CHED C#C[C@H](NC(=O)[C@@H](CCC=C)c1ccccc1)C(C)(C)C 807879122 OCKXOZIHERHVND-IRXDYDNUSA-N 283.415 3.901 30 20 CHED C#C[C@H](NC(=O)[C@H](C)c1ccc(CC)cc1)C(C)(C)C 807879593 GCTVARKOTGPDRQ-CJNGLKHVSA-N 271.404 3.517 30 20 CHED C#C[C@@H](NC(=O)c1oc2c(F)cccc2c1C)C(C)(C)C 807881276 FFCYLEWGMKBMBH-CYBMUJFWSA-N 287.334 3.658 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ncncc1Cl 807983794 XYZCALVAKNJMIO-SECBINFHSA-N 254.765 3.744 30 20 CHED COC(=O)c1cccc(N=Cc2ccccc2O)c1Cl 814183536 KCSQHZPTUZSPIN-UHFFFAOYSA-N 289.718 3.583 30 20 CHED CC(CCc1ccc2c(c1)OCO2)=NOCCC1CC1 814247265 YQIUIHFWDYGBCS-UHFFFAOYSA-N 275.348 3.541 30 20 CHED Fc1ccc(NN=C2COc3cccc(Cl)c32)cc1 814693227 COBMBANXNWKGLO-UHFFFAOYSA-N 276.698 3.688 30 20 CHED C(CC1CCCCC1)=NNc1nc2ccccc2[nH]1 814708190 DKMZTUOOIXUKRV-UHFFFAOYSA-N 256.353 3.931 30 20 CHED COc1ccc(NN=C(C)[C@H](C)CCCCC(=O)O)cc1 814885255 TUWFCZRYHUEMLO-GFCCVEGCSA-N 292.379 3.764 30 20 CHED CCCC(=NOCCC(F)(F)F)c1cccnc1 814909968 NKPAHVRFBUFQTR-UHFFFAOYSA-N 260.259 3.555 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2cc(O)ccc2Cl)c1 815378201 VLVIYTPVMXKTPC-UHFFFAOYSA-N 299.757 3.694 30 20 CHED CCc1ccc(C#CC(=O)Nc2c(C)cccc2OC)cc1 816499199 IVFTZARHVOEQLM-UHFFFAOYSA-N 293.366 3.556 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ncccc1C(F)(F)F 820588492 QXOJXTXVUJKESF-UHFFFAOYSA-N 287.281 3.746 30 20 CHED C=C[C@@H](CC)CC(=O)NCCC[C@@H]1CC1(Cl)Cl 824074124 CGPIOHPQFOSGDF-WDEREUQCSA-N 278.223 3.679 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1SC[C@@H](C)C#N 826877222 DJSVRZFBQDVNGX-ZDUSSCGKSA-N 286.400 3.536 30 20 CHED CCN(Cc1ccc(O[C@H](C)C#N)cc1)c1cccc(O)c1 827907552 BJYKZMBEQOMFAX-CQSZACIVSA-N 296.370 3.710 30 20 CHED CCOc1cccc(C=Nc2ccc(C)c(C(=O)O)c2)c1O 830100242 ZNLUPXGDXXQCLE-UHFFFAOYSA-N 299.326 3.548 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc3c(c2)CCO3)c1 834874263 IQZFDOXBSYPCFS-ALCCZGGFSA-N 264.324 3.826 30 20 CHED CC[C@@H](C)CC=NNc1ccnc(Br)c1 834970005 RKJBGUACOWVNGS-SECBINFHSA-N 270.174 3.678 30 20 CHED CCCC[C@H](CC)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839059795 XNGQKONYJQZBII-HZSPNIEDSA-N 251.370 3.828 30 20 CHED COc1cccc(/C=N\CC2(c3ccccc3)CC2)c1O 839386008 JEAZPUYENNHIQM-UNOMPAQXSA-N 281.355 3.552 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2ncc(C#N)cc2Cl)C1 839442728 USASOZOMNBRXTD-NSHDSACASA-N 292.766 3.732 30 20 CHED C#C[C@@H](OC(=O)C1CCC(F)(F)CC1)c1ccccc1 842391012 FIXZIZIBKLCSTE-CQSZACIVSA-N 278.298 3.730 30 20 CHED CC[C@@H](OCCOC(=O)CC(C)(C)C#N)c1ccccc1 845155247 IJEUTTZNVYPIFR-OAHLLOKOSA-N 289.375 3.637 30 20 CHED C=C(C)CONC(=O)c1ccccc1NC1CCCCC1 846534342 YAHJLUDKSFINSJ-UHFFFAOYSA-N 288.391 3.669 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)OCCc1ccsc1 847637651 IKDTYWAHNNNRET-CYBMUJFWSA-N 299.395 3.584 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccccc1C(C)C 848551225 GTKSAKPJFOMUDH-AEFFLSMTSA-N 273.420 3.881 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ncccc1C 851144380 RGVNPIHEGONVQZ-KGLIPLIRSA-N 259.349 3.682 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cc2occc2s1 851209748 OPASCIDKBCXPPL-VIFPVBQESA-N 277.345 3.979 30 20 CHED C=C[C@H](OC(=O)C1CCC(OC)CC1)c1ccccc1 851451942 NPCGUDWBVINOIV-GPANFISMSA-N 274.360 3.662 30 20 CHED CCO[C@@H]1CCCC1=NNc1cc(F)cc(Cl)c1 853396140 XLOSLOZEFPRZOH-CYBMUJFWSA-N 270.735 3.836 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)/C=C(\C)c1ccco1 857607790 RTLPATLBDUEZRK-OUKQBFOZSA-N 274.364 3.614 30 20 CHED C=CCC[C@@H](C(=O)OCc1cnsc1)c1ccccc1 861207423 BVHSMFCQDBINHC-OAHLLOKOSA-N 287.384 3.936 30 20 CHED CCCCCCCNC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C 862358009 PYKPZOOWANNGCQ-CABCVRRESA-N 281.440 3.714 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC(c2ccc(F)cc2)CC1 868268607 KJOLOSBKLUZWOX-ZDUSSCGKSA-N 290.382 3.679 30 20 CHED CCOc1ccc(NC[C@@H](C)CCC#N)cc1F 876824116 LEPUQDSXPWXDDP-NSHDSACASA-N 250.317 3.576 30 20 CHED C#CCCCCCCNc1cc(N2CCNC2=O)ccc1C 877482351 FCKFXVSJRMLMQJ-UHFFFAOYSA-N 299.418 3.520 30 20 CHED Cc1ccc(N2CCC(n3c(C)ccc3C)CC2)c(C#N)n1 881871843 WUNNKWMSUMRJME-UHFFFAOYSA-N 294.402 3.522 30 20 CHED C=C1CCC(C(=O)N(Cc2ccco2)C(C)C)CC1 887957307 UDCQVUXYTDWVHJ-UHFFFAOYSA-N 261.365 3.763 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1nn(C(C)C)cc1Cl 889556906 MXAYINIXQJYXCY-NSHDSACASA-N 296.802 3.690 30 20 CHED CCCC[C@H](C(=O)N(C)c1snc(C)c1C#N)C(C)C 891422794 BWZJXIJYPOJPPV-LBPRGKRZSA-N 293.436 3.748 30 20 CHED Cc1cc(C)c2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc2n1 895879638 SUYRSBAUVAPXIK-ZIAGYGMSSA-N 265.360 3.956 30 20 CHED C=C1CC(c2noc(Cc3cccc(OC)c3Cl)n2)C1 896874095 KDDQTXNOKXWCBH-UHFFFAOYSA-N 290.750 3.756 30 20 CHED C=C1CN(C(=O)CCCc2csc3ccccc23)C1 898698052 BDZAKJPGLFYSCA-UHFFFAOYSA-N 271.385 3.622 30 20 CHED Cc1cccc2c1OC/C(=C\c1cnn(C3CCC3)c1)C2=O 899348694 HLMCZKCMAMUBII-RIYZIHGNSA-N 294.354 3.575 30 20 CHED CCCSCC(C)=NNc1ccc(OC)cc1 901204988 CLNJIRNDXSGJPX-UHFFFAOYSA-N 252.383 3.626 30 20 CHED C=CCC[C@@H](NCCc1cccnc1C)c1ccco1 903418479 LTPZQMOLOFLLLP-MRXNPFEDSA-N 270.376 3.823 30 20 CHED Cc1ccc(/C=C\C(=O)OCCCCC2(C#N)CCC2)cn1 909163281 DAGUMGUDOHOVFI-FPLPWBNLSA-N 298.386 3.811 30 20 CHED CCCCCC1=C(C)CCC1=NNc1cnccn1 912961621 JCJBBRNMXCTHAA-UHFFFAOYSA-N 258.369 3.935 30 20 CHED C[C@@H](C=NNC(=S)NC1CCCCC1)c1ccccc1 915928223 XYIDBUPCGXODCL-ZDUSSCGKSA-N 289.448 3.573 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1ccc(C)c([N+](=O)[O-])c1 915962651 ULBGEGRMASRGLT-UHFFFAOYSA-N 294.314 3.611 30 20 CHED CN(C)c1ccc(C=NNc2ccc(Cl)cc2)s1 916246738 KVERIVCJALQRIR-UHFFFAOYSA-N 279.796 3.914 30 20 CHED CCN(C(=O)/C=C(\C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 917646987 RCEBZHSQORJOKK-CMPYXILNSA-N 282.387 3.824 30 20 CHED C=CCN(C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(C)C 918063080 MUWUAAIJQCNWCM-BZUAXINKSA-N 278.440 3.951 30 20 CHED Cc1cc(NN=Cc2c[nH]c3cc(Cl)ccc23)nc(C)n1 918713567 ZQQQDRPWVIEBBF-UHFFFAOYSA-N 299.765 3.674 30 20 CHED C[C@@H](OC(=O)CSCC#N)c1ccc2ccccc2c1 919081232 JDWFMQWVAOLPHV-GFCCVEGCSA-N 285.368 3.701 30 20 CHED CCOc1ccc(O)c(C=Nc2cccc(C)c2)c1 920943367 FNGFYSVTOUOMCB-UHFFFAOYSA-N 255.317 3.850 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1COC(C)(C)C 928387741 GIWHUZUDRMZIGP-UHFFFAOYSA-N 288.391 3.880 30 20 CHED C=CCC1(c2nnc(COc3cccc(C)c3)o2)CCC1 1118077311 ULGAERFLHZGLGZ-UHFFFAOYSA-N 284.359 3.955 30 20 CHED Cc1csc(NC(=O)c2ccc3ccn(C)c3c2)c1C#N 1128849886 KBYZFOHVHPOHMK-UHFFFAOYSA-N 295.367 3.672 30 20 CHED CN(C(=O)c1cccs1)c1ccc(C#N)c(Cl)c1 1132213903 VOGBEYXOZRFZAE-UHFFFAOYSA-N 276.748 3.550 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 1141704570 QKPZKSJOBMLDJK-BEFAXECRSA-N 296.414 3.908 30 20 CHED C[C@@H](Cc1ccccc1Cl)N[C@@H]1CC[C@H](C#N)C1 1182499249 MVFOQGUSCYRFRO-SGMGOOAPSA-N 262.784 3.553 30 20 CHED C=C(Br)CSc1ncc(C(C)(C)C)[nH]1 1189904068 XNBRDHPXBWHHNY-UHFFFAOYSA-N 275.215 3.708 30 20 CHED C=C(Cl)CN[C@@H](CC)c1ccccc1OCC 1192772343 WRHLJSNQDYMYJT-ZDUSSCGKSA-N 253.773 3.879 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ncc2ccccc2c1O 1262655450 OJFZSAXTUHSYLN-AWEZNQCLSA-N 296.370 3.511 30 20 CHED CCOc1ccc([C@H](C)OC(=O)c2ccc(C#N)cc2)cc1 1265672866 QUVKAXLTTFMKPQ-ZDUSSCGKSA-N 295.338 3.875 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CC2CCC1CC2 1272912427 PEZPPOOEJLXYCR-PXCJXSSVSA-N 296.370 3.526 30 20 CHED CC(C)(CNc1snc(Cl)c1C#N)C1CCC1 1307121768 SGROOOWHNPMTIT-UHFFFAOYSA-N 269.801 3.906 30 20 CHED O=C1/C(=C/c2ccc3c(c2)CCC3)COc2ccc(F)cc21 1319113464 RKFQQFBVBIMKNT-OQLLNIDSSA-N 294.325 3.973 30 20 CHED C=CCC[C@@H](NC(=O)NC1(C)CC1)c1ccccc1 1319526444 UQAKWOXJOFAZKZ-CQSZACIVSA-N 258.365 3.546 30 20 CHED C=C[C@H](COC)N[C@H]1CCSc2c(Cl)cccc21 1320592391 QGUXINKOVCERJB-MFKMUULPSA-N 283.824 3.668 30 20 CHED CCCCCC[C@H](C)CC(=O)OCc1ccc(C#N)cn1 1326397517 UXVHYXNUNAGSSF-AWEZNQCLSA-N 288.391 3.993 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)nn1)[C@@H]1C[C@H]1C 1327462013 XFZOMADZSMAWJX-GHMZBOCLSA-N 260.385 3.608 30 20 CHED C[C@H]1CCC[C@@H](c2nnc(-c3cccc(C#N)c3)o2)C1 1328429382 MWRXCHMARSUGTR-WCQYABFASA-N 267.332 3.902 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2ccc(OCC#N)cc2)c1 1329073094 JVGCYQOFTQLBMU-CQSZACIVSA-N 294.354 3.640 30 20 CHED C=CCN(C(=O)[C@H](C)OC1CCCCC1)C(C)(C)C 1329653581 GQOLZVOFILWZSA-ZDUSSCGKSA-N 267.413 3.537 30 20 CHED C#CC[C@@H](CCOC)NCc1c(Cl)oc2ccccc12 1331793699 FIQVVQUSBYPYDF-LBPRGKRZSA-N 291.778 3.604 30 20 CHED C=C(C)CCC(=O)N(CCCC)CC(F)(F)F 1336438891 OXKUNOZTEYOJSU-UHFFFAOYSA-N 251.292 3.534 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc(Cl)cc(Cl)c1 1338327172 BZJUZSGTCHOXLV-GFCCVEGCSA-N 285.174 3.758 30 20 CHED Cc1cccc2c1[C@H](Nc1ccc(OCC#N)cc1)CC2 1340030982 VAASKQSWLJBFOJ-QGZVFWFLSA-N 278.355 3.997 30 20 CHED N#CC[C@@H](OC(=O)[C@H]1CCc2cc(F)ccc21)c1ccco1 1345977765 WKHJHDVQILTYKO-GOEBONIOSA-N 299.301 3.647 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)c1cc(C(C)(C)C)oc1C 1346096144 NAZCVCUCVOBLFG-CYBMUJFWSA-N 299.374 3.592 30 20 CHED N#C[C@@H](C(=O)c1cc2cccc(F)c2o1)c1cccc(F)n1 1347171023 LCXWUSGIXCHNBA-SNVBAGLBSA-N 298.248 3.596 30 20 CHED CCOC1CCC(=NNCc2ccccc2Cl)CC1 1347226041 UVZGCVXNTKWNOB-UHFFFAOYSA-N 280.799 3.765 30 20 CHED C[C@]1(CNc2cc(C#N)cc(Cl)n2)CC1(Cl)Cl 1348196030 SCODORPGLVQFIE-SNVBAGLBSA-N 290.581 3.602 30 20 CHED CCC[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1351943193 MQJHLFYQTMGFFB-KRWDZBQOSA-N 296.345 3.969 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 1353279205 YACUIEONLNEORY-ZVZYQTTQSA-N 296.414 3.908 30 20 CHED CCc1ccc(F)cc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 1355478278 RPLLXFPWEXKICQ-LBPRGKRZSA-N 296.345 3.751 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1ccc(Cl)cc1 1358308506 ZQLUFEUICBUUFD-LLVKDONJSA-N 251.757 3.874 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CC[C@H](C)CC1 1443560977 BCVVUIYOHMVFHT-KOMQPUFPSA-N 278.440 3.991 30 20 CHED CC[C@H](CCc1ccccc1)Nc1ccc(C#N)cn1 1458488762 ORMKDJCCUUBVCU-MRXNPFEDSA-N 265.360 3.777 30 20 CHED C[C@@H]1Cc2ccccc2N1Cc1cccc(F)c1C#N 1462027998 WSWTVYHLIOWGML-GFCCVEGCSA-N 266.319 3.649 30 20 CHED CCc1nc(C#N)cc(N[C@H]2CCC(C)(C)C[C@H]2C)n1 1472717392 SXRCNEIZWVRHHN-YPMHNXCESA-N 272.396 3.537 30 20 CHED N#Cc1cc(N2CCCC[C@@H]2c2ccc(F)cc2F)ccn1 1472727293 VKZXQBDMBZLFJG-QGZVFWFLSA-N 299.324 3.963 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)c1ccsn1)c1cccs1 1515587355 FWGHREJTAXTRAG-BXKDBHETSA-N 292.385 3.652 30 20 CHED Cc1ccc(C(=O)O[C@@H](CC#N)c2ccco2)cc1C 1518000465 GTSPHZAKDDHXPG-HNNXBMFYSA-N 269.300 3.708 30 20 CHED Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(F)cc1C#N 1532255618 FNBSEQJRAVPSIL-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1ccsc1C#N 1536120565 IXRXZJNQLBCINA-JTQLQIEISA-N 287.340 3.546 30 20 CHED C=C(Cn1c(CC)nnc1N1CCC[C@@H]1C)c1ccccc1 1539767472 WBKNUZNXLHYKDC-HNNXBMFYSA-N 296.418 3.543 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNc1cccc(C#N)n1 1559212206 DSWNLSWQSROYRM-KGLIPLIRSA-N 257.381 3.972 30 20 CHED CCc1ccc(CN2CCc3c(C#N)cccc32)cc1 1559927154 IXTZQBIAPMYPFD-UHFFFAOYSA-N 262.356 3.683 30 20 CHED CCCNc1ccccc1NC(=O)c1cc(C#N)ccc1F 1567442235 CXQCOPONXGOCTI-UHFFFAOYSA-N 297.333 3.772 30 20 CHED Cc1ccc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)cc1 1587817049 QFSFJLOZEOVPCQ-UHFFFAOYSA-N 284.746 3.797 30 20 CHED C=CCC1(NCc2ccc(C3(C(=O)O)CC3)cc2)CCCC1 1588768936 HVAKCQAGVQACPJ-UHFFFAOYSA-N 299.414 3.781 30 20 CHED CCCc1ccc(C(=O)/C=C/c2ccc(C(=O)O)o2)cc1 1596058031 DFBRZMWNUVJOSK-CSKARUKUSA-N 284.311 3.826 30 20 CHED Cc1ccc2sc(NC(=O)C3(C#N)CCCC3)nc2c1C 1596889626 BIXDDWKHZWKGIJ-UHFFFAOYSA-N 299.399 3.936 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)c3cc(C#N)c[nH]3)c21 1597035452 BBGAGAWUXUBYHX-NSHDSACASA-N 293.370 3.923 30 20 CHED N#CCCC[C@H](NCc1ccc(C(=O)O)o1)c1ccccc1 1601064988 RMCKTJLPDXSIQW-HNNXBMFYSA-N 298.342 3.503 30 20 CHED CCCn1c(C(C)C)nnc1N(CCC#N)CCC(C)C 1614767160 PAALFVWQTMBASK-UHFFFAOYSA-N 291.443 3.578 30 20 CHED Cc1cc(C)c(/C=C\CNc2n[nH]c(C)c2C#N)c(C)c1 1620962204 SYQPZIYXCUNISR-WAYWQWQTSA-N 280.375 3.640 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)Cc1ccc(OCC#N)cc1 1645303287 KGSFFXZQXLQAFJ-FUHWJXTLSA-N 286.419 3.990 30 20 CHED N#Cc1cccc(NCC2(c3cccc(F)c3)CCC2)n1 1651398603 SLHBXMYSVZHLNF-UHFFFAOYSA-N 281.334 3.626 30 20 CHED COc1cc(OC[C@@H]2CCC[C@@H](C)C2)ccc1C#N 1651953084 DHPLYKUUDSKOQM-CHWSQXEVSA-N 259.349 3.772 30 20 CHED Cc1cc(=NCC(C)(C)c2ccccc2Cl)c(C#N)c[nH]1 1655088881 ILYRKRAPEXWDJZ-UHFFFAOYSA-N 299.805 3.727 30 20 CHED Cc1cccc(CN(Cc2cccc(C#N)n2)CC(C)C)c1 1657408832 ABQGZDCMJHGAKW-UHFFFAOYSA-N 293.414 3.920 30 20 CHED CC(=NNc1ccc(C(=O)O)cc1)c1csc(C)c1 1776012931 XMYCYOUXAHOJMB-UHFFFAOYSA-N 274.345 3.591 30 20 CHED Cc1ccc(C=NNc2cccc(C(=O)O)c2C)cc1F 1776086901 VLLOKIXAPXIKCD-UHFFFAOYSA-N 286.306 3.587 30 20 CHED O=C(O)c1csc(/C=C2/CCc3ccsc3C2=O)c1 1777696233 RAFGYDSPPCTGBU-UITAMQMPSA-N 290.365 3.720 30 20 CHED C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C#N)cc1 15594432 XJWPIWKXZBMTAG-GFCCVEGCSA-N 282.368 3.678 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC[C@H](C)C1 35253279 VVFPLSYZGWDJKC-GOEBONIOSA-N 259.393 3.920 30 20 CHED C[C@H](NC(=O)NCCC1CCCCC1)c1ccc(C#N)cc1 41185742 FAGAHAYQKZBQMI-AWEZNQCLSA-N 299.418 3.889 30 20 CHED N#Cc1ccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 45029426 WACJSORIAUGOEK-KRWDZBQOSA-N 291.354 3.831 30 20 CHED CCN(C(=O)c1cccc(C#N)c1)c1cc(C)cc(C)c1 45516149 NUPKWVICAYLABN-UHFFFAOYSA-N 278.355 3.842 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(OC)c(F)c1 45934637 MLDNJVDIGOVLDJ-UHFFFAOYSA-N 299.345 3.663 30 20 CHED N#Cc1ccc(C(=O)COc2ccc(F)cc2Cl)cc1 48484688 LYUUBHBHKJLXRP-UHFFFAOYSA-N 289.693 3.612 30 20 CHED C=C(C)CN(CC)C(=O)CCCOc1ccccc1Cl 50298735 SGEJTDBMIIZLOH-UHFFFAOYSA-N 295.810 3.924 30 20 CHED C=CCCC(=O)NCCc1cc(Cl)cc(Cl)c1 60365163 XFFLDAYKDGAMQW-UHFFFAOYSA-N 272.175 3.618 30 20 CHED Cc1cccc(-n2c(SCC#N)nc3ccccc32)c1 61574083 JJGVIZFJCPIAON-UHFFFAOYSA-N 279.368 3.950 30 20 CHED Cc1cccnc1CNc1ccc(C#N)c(Cl)c1 71344291 IUEQOXPMXTUYRT-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C[C@H](NC(=O)CCCc1ccccc1)c1cccc(C#N)c1 75269165 BPLPVVGUSYITQZ-HNNXBMFYSA-N 292.382 3.758 30 20 CHED O=C1/C(=C/c2ccccc2[N+](=O)[O-])CCc2c(O)cccc21 78695172 MDYPTIJCENTPNF-ZRDIBKRKSA-N 295.294 3.513 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCCC[C@H]1SCC 79135910 VMEQMMSGICYKED-ZIAGYGMSSA-N 284.469 3.658 30 20 CHED C[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)[C@@H]1C 79528790 XLMXLQCUWUYLAA-QWHCGFSZSA-N 288.416 3.563 30 20 CHED C=CCOCCCC(=O)Nc1c(C)cccc1OC(F)F 79885896 OTCULRAYOLHNHE-UHFFFAOYSA-N 299.317 3.518 30 20 CHED CCCC[C@@H](CC)CC(=O)N[C@@H](C#N)C(C)(C)C 85431357 RQNYYZGDJSVGOW-OLZOCXBDSA-N 252.402 3.647 30 20 CHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(OC)c(C#N)c1 87823551 XIJDQIUAWYJXBK-ZBFHGGJFSA-N 272.392 3.625 30 20 CHED CC1(C)C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 88191211 VYMBEWZLBAMAFF-GFCCVEGCSA-N 298.308 3.947 30 20 CHED COc1cccc(CNc2c(Cl)cccc2C#N)c1O 91479347 CPYMQXFDHOWACO-UHFFFAOYSA-N 288.734 3.538 30 20 CHED C[C@H](CC(=O)Nc1ccccc1C#N)c1ccccc1F 102831078 NFIITJYFZIAFAG-GFCCVEGCSA-N 282.318 3.830 30 20 CHED CC1(C)C[C@H]2C[C@@](C)(CN2Cc2ccc(C#N)cc2)C1 104131618 URPHAGISAVYFDT-FUHWJXTLSA-N 268.404 3.959 30 20 CHED C[C@H](CC(=O)N[C@H](C#N)c1ccccc1F)C(C)(C)C 108803206 LOWKCVZNAMAKNM-BXUZGUMPSA-N 276.355 3.579 30 20 CHED COc1ccccc1-c1cccc(NC(=O)C(C)(C)C#N)c1 110924525 OGENZMDGXHRPGG-UHFFFAOYSA-N 294.354 3.850 30 20 CHED CCN(CC#N)CC/C=C/c1ccc(Br)cc1 117336905 WFLWORUGFDBCTR-HWKANZROSA-N 293.208 3.698 30 20 CHED CC(C)(CCC#N)CNc1cncc(Br)c1 120992801 ZGOMFYHXOYPWIW-UHFFFAOYSA-N 282.185 3.586 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)Cc1cc(Cl)ccc1Cl 134104486 ZSCGEMBYOIKATJ-CQSZACIVSA-N 299.201 3.590 30 20 CHED C#CCCCCNC(=O)Nc1cccc(Cl)c1C 134179248 ZKNAMBRLXKQYJB-UHFFFAOYSA-N 264.756 3.573 30 20 CHED C=CC[C@H](C)NCc1ccc2cc(OC)ccc2c1 134748191 PILCRFFYTKJSAZ-ZDUSSCGKSA-N 255.361 3.903 30 20 CHED Cc1cc(OC(C)C)ccc1NCc1ccc(C#N)o1 135560141 KWIMYABJIAMGDB-UHFFFAOYSA-N 270.332 3.859 30 20 CHED C[C@@H](c1cccc(Cl)c1)[S@](=O)CCCCC#N 150956491 RQZYQKOCTNKXFZ-GTNSWQLSSA-N 269.797 3.844 30 20 CHED CN(CCC(F)(F)F)c1ccc(C(F)(F)F)c(C#N)c1 154091767 OOCUPFCXQXEDEK-UHFFFAOYSA-N 296.214 3.966 30 20 CHED C[C@H]1CCC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)C1 155266805 WILXNOPQFOOOQG-UONOGXRCSA-N 264.413 3.601 30 20 CHED CC#CCCN(Cc1ccccc1)C[C@H](O)c1ccsc1 156043256 SMRPEUURLBECNJ-SFHVURJKSA-N 299.439 3.697 30 20 CHED CCN(C(=O)c1ccsc1)c1ccc(C#N)c(Cl)c1 156560612 GPSYFIXZLHKIGE-UHFFFAOYSA-N 290.775 3.940 30 20 CHED C=CCN(C)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 161355587 KMBCPJVFJFLSIO-GOSISDBHSA-N 294.398 3.798 30 20 CHED C=CCN(C)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 161465689 OGGSHSKREYGQPE-SNVBAGLBSA-N 286.202 3.816 30 20 CHED N#Cc1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 162897786 HMPWKFUPGUVFSY-KZNAEPCWSA-N 296.414 3.781 30 20 CHED C[C@H](CCCC(F)(F)F)NCc1ccc(C#N)cc1 163354212 DYECOWRHNOKJLG-LLVKDONJSA-N 270.298 3.769 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1ccc([N+](=O)[O-])c(C#N)c1 165929245 MPVGHMCRUAFTHJ-NSHDSACASA-N 299.305 3.649 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1cccc(F)c1 166518744 NXWFEQIRCLROFE-QGZVFWFLSA-N 268.335 3.938 30 20 CHED CCOC(=O)Nc1c(F)cc(F)cc1C#C[Si](C)(C)C 169981481 SXZZZANTXATPBY-UHFFFAOYSA-N 297.377 3.762 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NC(=O)N1CCC(C#N)CC1 171471914 TUXRLQBNRFTQRA-HZPDHXFCSA-N 291.439 3.536 30 20 CHED CSc1ccsc1C(=O)N(CC#N)c1ccccc1 171707611 ZXFOQZPVQGOMOP-UHFFFAOYSA-N 288.397 3.640 30 20 CHED CSCCCCC(=O)[C@H](C#N)c1nc2ccccc2o1 172545647 VJIOZNAJWMKQQD-NSHDSACASA-N 288.372 3.537 30 20 CHED CCC[C@@H](C)c1cc(NC(=O)C2(C#N)CCCCC2)[nH]n1 173328683 HMBCMMJXPZPOLM-GFCCVEGCSA-N 288.395 3.726 30 20 CHED CCCn1c(-c2ccc(C#N)o2)nc2c(F)cccc21 173744102 QIYRUXMRDQYEMG-UHFFFAOYSA-N 269.279 3.717 30 20 CHED Cc1cc(NC(=O)NCCCCC#N)ccc1C(F)(F)F 174294554 YKYMELNBNMISGG-UHFFFAOYSA-N 299.296 3.829 30 20 CHED CSCCCCC(=O)O[C@@H](C)c1ccc(C#N)cc1 175795568 BSHZJBAJOCHIIY-LBPRGKRZSA-N 277.389 3.696 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(F)c(C#N)c2)C1 176088544 ICEBOARTLOTXEK-NWDGAFQWSA-N 289.354 3.740 30 20 CHED COc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1F 176410181 APRRXCWYRKSPLY-SDQBBNPISA-N 286.277 3.796 30 20 CHED CCn1cc(C(=O)O[C@H]2CC[C@H](C#N)C2)c2ccccc21 179862262 HOTBBTIYYBDTQM-STQMWFEESA-N 282.343 3.510 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1 180372509 WNBAFYGRKKFKNB-KBPBESRZSA-N 260.381 3.792 30 20 CHED COc1ccc(/C=C/C(=O)c2cccc(F)c2F)cc1C#N 182721741 SGNINTJDVJBUGK-FNORWQNLSA-N 299.276 3.741 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc(OCCF)c2)C1 185750057 PWENUTWNWDKGJC-STQMWFEESA-N 262.328 3.529 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](CC)Cc1ccccc1 188159866 HOGOMJFAFMHZLX-DOTOQJQBSA-N 259.393 3.726 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc2c(c1)CCC2 189925122 HLSOSOBCTMDLAL-UHFFFAOYSA-N 284.403 3.720 30 20 CHED C=CCCCS[C@H](C)c1ccc(S(C)(=O)=O)cc1 190801105 NVJDQYXLJAVDSZ-GFCCVEGCSA-N 284.446 3.851 30 20 CHED N#Cc1ccccc1OCCOc1c(F)cccc1Cl 215514759 ZMVJBCWNJAUUOT-UHFFFAOYSA-N 291.709 3.809 30 20 CHED Cc1ccc(C#N)cc1OCc1cccc(F)c1F 229947707 UDRNFNNRWJJZQG-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CC[C@H](C)[C@H](C)NCc1ccc(N(C)CCC#N)cc1 236988242 SQEGLWQGJOJNMW-GJZGRUSLSA-N 273.424 3.561 30 20 CHED Cc1nc(C)c(C#N)c(SCCCOc2ccccc2)n1 248066771 XDLHOFOBEUWHKV-UHFFFAOYSA-N 299.399 3.526 30 20 CHED Oc1cccc(C=Nc2ccc(OC(F)(F)F)cc2)c1O 254451816 XATPCXJHEVTHQO-UHFFFAOYSA-N 297.232 3.747 30 20 CHED O=C1/C(=C\c2cccnc2Cl)CCOc2ccccc21 255182634 NEDCSZPYRJXSOS-KHPPLWFESA-N 285.730 3.784 30 20 CHED CC(C)Oc1cccc(/C=C\C(=O)c2cncc(F)c2)c1 255341166 SKZFEWKNUNKYAH-SREVYHEPSA-N 285.318 3.904 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1ccccc1Cl 264021556 GTLIVWUKYNWDIE-UHFFFAOYSA-N 278.783 3.742 30 20 CHED C=CCCCCCN(C)C(=O)CCC(F)(F)F 266270595 ATYWMZVRFNJBTB-UHFFFAOYSA-N 251.292 3.534 30 20 CHED C=CCC(CC=C)C(=O)N(CC(F)(F)F)C1CCC1 268193696 CZYIEUOYWUILOO-UHFFFAOYSA-N 275.314 3.698 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc2cnccc12 268608881 VNVOKEZUKPLZTB-UHFFFAOYSA-N 295.386 3.827 30 20 CHED C=CCN(Cc1cc(-c2cccs2)on1)C1CC1 271497182 VKSHXRLFJKBZEM-UHFFFAOYSA-N 260.362 3.554 30 20 CHED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cncs1 271511742 NVTBOXJIAPAFRJ-JSGCOSHPSA-N 271.389 3.839 30 20 CHED CCn1cc(NC2CCC(C#N)(c3ccccc3)CC2)cn1 271799927 IOKWERUOLUMJBX-UHFFFAOYSA-N 294.402 3.719 30 20 CHED C=CCCN(C)C(=O)Nc1cccc2c1CCCC2 275983570 BPOZSTNCXNIBRT-UHFFFAOYSA-N 258.365 3.605 30 20 CHED Cc1cnc(C2CCN(Cc3ccc(C#N)cc3)CC2)s1 277514832 OVVQEJWMULXCCX-UHFFFAOYSA-N 297.427 3.703 30 20 CHED CSc1cccc(NC(=O)CC(C)(C)C#N)c1C 278801076 RCHNWPPVWCFEIK-UHFFFAOYSA-N 262.378 3.595 30 20 CHED CC(C)(CCC#N)CNc1ccc(C(=O)N2CCCC2)cc1 280590833 BGAWQMXPTRIIKW-UHFFFAOYSA-N 299.418 3.664 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 280850172 LGBHSAWMXBTQBU-IRXDYDNUSA-N 284.403 3.733 30 20 CHED N#Cc1ccc(SCCCCC2CCOCC2)nc1 281092265 XKUFLYKWEDQQNJ-UHFFFAOYSA-N 276.405 3.642 30 20 CHED CCOc1ccccc1NCCCC1(C#N)CCOCC1 281151858 JWCHJOAYORROCY-UHFFFAOYSA-N 288.391 3.598 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc3cncn3c2)CCCC1(C)C 285017114 RQXYJOSBJDNAFZ-MRXNPFEDSA-N 297.402 3.541 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1 285651364 MGFCVOJWOJGOPX-DOMZBBRYSA-N 288.778 3.616 30 20 CHED C=CCC[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccco1 286045988 KUGOCDWFUZIGHB-YCPHGPKFSA-N 274.408 3.502 30 20 CHED CCCCCCCCC(=O)NCc1nccc(C(F)F)n1 288741502 YJRYSBQKANAGHV-UHFFFAOYSA-N 299.365 3.781 30 20 CHED Cc1cccc(-c2cccc(CNC(=O)CCCC#N)c2)c1 291695895 NCXFJXXWDSIEHH-UHFFFAOYSA-N 292.382 3.972 30 20 CHED N#Cc1ccnc(NC[C@@H]2CCCCC(F)(F)C2)c1 291910078 QQJYLSRDNAONQX-GFCCVEGCSA-N 265.307 3.581 30 20 CHED CC(C)(C)[C@H](NC(=O)CCCC#N)c1ccccc1 292242357 GOHWNJKICFRKPN-OAHLLOKOSA-N 258.365 3.584 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(C)s1 292978746 HKMOLPJWBQOQMQ-UHFFFAOYSA-N 251.395 3.617 30 20 CHED C=CCOCCN[C@@H](C)c1cc(Cl)ccc1Cl 310262541 DLMNULLYJOSPCM-JTQLQIEISA-N 274.191 3.847 30 20 CHED Cc1nnccc1N=C(O)[C@H]1CCCC[C@H]1C(F)(F)F 329573506 VDXZRIHSRWHSQX-VHSXEESVSA-N 287.285 3.742 30 20 CHED O=C1CCOc2c(N=C(O)[C@@H]3CCCCS3)cccc21 329666743 RGZCOUNVHWCLHW-ZDUSSCGKSA-N 291.372 3.526 30 20 CHED Cc1ncc(/C(O)=N/[C@@H]2CC[C@H](C)[C@H](C)C2)c(C2CC2)n1 329816830 WHQXCXXJJKACOT-MISXGVKJSA-N 287.407 3.792 30 20 CHED O/C(=N/C1CC1)Nc1cccc(/C(O)=N\[C@@H]2C=CCCC2)c1 329853446 VLUJVFJROVQTTH-CYBMUJFWSA-N 299.374 3.588 30 20 CHED CC1(C)CCC[C@H](/N=C(/O)[C@H]2CCC(=O)c3cccn32)C1 329877079 IUKOGGBQGRAHJS-GXTWGEPZSA-N 288.391 3.931 30 20 CHED CC1(C(O)=Nc2cc(C/N=C(/O)C3(C)CC3)ccn2)CC1 330042087 DMQJXOBWAQCONP-UHFFFAOYSA-N 287.363 3.726 30 20 CHED CC[C@@H]1CCCC[C@@H]1/N=C(/O)c1scnc1COC 330479924 ZNJVOXCAHCGMPT-MNOVXSKESA-N 282.409 3.563 30 20 CHED C[C@H]1CN([C@H](C(=N)O)c2ccc(C#N)cc2)CC(C)(C)C1 335131594 AKRPRYDAMCYOCZ-DOMZBBRYSA-N 285.391 3.503 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CCC(C#N)CC1 335878568 BUSAHHLZXRCJNG-HOCLYGCPSA-N 296.414 3.738 30 20 CHED CC(=O)c1ccc(Oc2nc(C)c(C#N)cc2Cl)cc1 335898183 KFYSGIQMHAGSTL-UHFFFAOYSA-N 286.718 3.910 30 20 CHED N#Cc1cccc(CN2CC[C@@H](c3ccccc3F)C2)c1 337512387 SCRLENNBWDZCQG-MRXNPFEDSA-N 280.346 3.687 30 20 CHED Cc1ccc(CCCC(=O)N(C)c2ccccc2C#N)s1 337877553 PGHOZUJYRIAKMI-UHFFFAOYSA-N 298.411 3.914 30 20 CHED CC[C@]1(C)CCCN(C(=O)c2cccc(C#N)c2C)C1 338132066 QNMYCZGUXLCIDX-QGZVFWFLSA-N 270.376 3.519 30 20 CHED C[C@]1(CNc2cnccc2C#N)C[C@@H]1c1ccccc1 338739811 LKEOWDKMJBMVAP-NVXWUHKLSA-N 263.344 3.559 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cccc(Cl)c1Cl 339166330 NEVJETGAUUBWRG-VIFPVBQESA-N 285.174 3.758 30 20 CHED Cc1nc2c(OCc3ccccc3C#N)cccc2o1 340593118 FAEXZXPYFQZEHA-UHFFFAOYSA-N 264.284 3.587 30 20 CHED C=CCOc1ccc(-c2nc(-c3ccco3)no2)cc1OC 340661633 VORCBVFLPJOEKO-UHFFFAOYSA-N 298.298 3.570 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H]1CCCc2sccc21 341619027 FPRLIXCYYLXUNY-YPMHNXCESA-N 263.406 3.639 30 20 CHED Cc1nsc(N[C@@H](C)Cc2ccccc2F)c1C#N 341841046 NGSYNECKKIZPRU-VIFPVBQESA-N 275.352 3.505 30 20 CHED N#CC1(CSCc2cc3c(cc2Cl)OCCO3)CC1 342055179 DQHNCDACEVYETL-UHFFFAOYSA-N 295.791 3.648 30 20 CHED CC(C)n1ccnc1SCc1ccc(CC#N)cc1 342186946 FHIUGDRRYZFQPN-UHFFFAOYSA-N 271.389 3.822 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cccc2[nH]ccc12 349158346 IWMBHNJZTOJWIK-UHFFFAOYSA-N 284.363 3.619 30 20 CHED CN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCC(C)(C)C1 353578788 SJCSTSRHQOTSDM-CYBMUJFWSA-N 289.354 3.740 30 20 CHED CC1(C)CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 354376913 JVEWOMHNLYDCGD-NSHDSACASA-N 276.767 3.520 30 20 CHED Cc1cc([C@@H](C#N)C(=O)c2ccc(C(C)C)s2)nc(C)n1 355305254 YYEHCQVKXSWKNH-GFCCVEGCSA-N 299.399 3.768 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccccc1SC 355362072 CWZOKEOBMBUQJK-UHFFFAOYSA-N 297.383 3.574 30 20 CHED N#CC[C@@H](CC(=O)N(CC1CC1)CC1CC1)c1ccccc1 356112144 FOPRELVIGHREHO-SFHVURJKSA-N 296.414 3.723 30 20 CHED C[C@H](Nc1cccc(OCCCC#N)c1)[C@H]1CCCOC1 356851002 QPQJUDSDKBCQAR-GJZGRUSLSA-N 288.391 3.596 30 20 CHED C=CCCC1(C(=O)NCc2cccc(CSC)c2)CC1 356949685 JAMFXEOYGGHERG-UHFFFAOYSA-N 289.444 3.912 30 20 CHED C=CCCC1(C(=O)Nc2cnn([C@@H](C)CC)c2C)CC1 357050230 NZBWSUKPPJLCHL-LBPRGKRZSA-N 275.396 3.847 30 20 CHED CCN(CCC1CCN(CCCCC#N)CC1)CC(C)C 358738839 SHMVTEXFSNQUCQ-UHFFFAOYSA-N 293.499 3.760 30 20 CHED N#CCCCc1nc(CCCc2ccccc2Cl)no1 361261649 KGZHHFNYVCDMOQ-UHFFFAOYSA-N 289.766 3.745 30 20 CHED N#Cc1ccc(N2CCC=C(F)C2)cc1C(F)(F)F 362651064 URPFVJPJQDEWNX-UHFFFAOYSA-N 270.229 3.641 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)[C@@H]1COc2ccccc21 370498690 IEMYFOPHJSFTPW-HOCLYGCPSA-N 286.419 3.861 30 20 CHED C=C(Br)CN[C@@H]1CCCCC12CCCC2 380231975 LOHAGYVTBRRMOQ-GFCCVEGCSA-N 272.230 3.988 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1csnn1 398314486 CJQKZQKRDVRYGY-SSDOTTSWSA-N 298.293 3.602 30 20 CHED CC[C@H]1COC(C)(C)CN1CCCCC(C)(C)C#N 403936625 VBBJWGORKXKUDQ-AWEZNQCLSA-N 266.429 3.596 30 20 CHED CC(C)n1cnnc1SCCC1(C#N)CCCCC1 412986688 UXYLWFPJPXXTRM-UHFFFAOYSA-N 278.425 3.815 30 20 CHED CCS[C@H]1CCCC[C@H]1Nc1ncc(C#N)cc1F 413174447 IIOCERABXNMEDM-OLZOCXBDSA-N 279.384 3.569 30 20 CHED CO[C@@H](CSCC1(C#N)CCC1)Cc1ccccc1 419533094 ODBMUZNYYGEBKG-OAHLLOKOSA-N 275.417 3.671 30 20 CHED C=CCOCCCc1nc(-c2ccsc2Cl)no1 420505957 XPWNXCWFEYHNGW-UHFFFAOYSA-N 284.768 3.587 30 20 CHED CC[C@H](Nc1cncc(C#N)n1)c1ccc(Cl)s1 420603122 PMKBWOKOKVVEJK-VIFPVBQESA-N 278.768 3.626 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(NC(=O)CC)cc1 424596839 HGHHLHDXMQWHBO-UHFFFAOYSA-N 274.364 3.576 30 20 CHED C[C@@H]1c2ccsc2CCN1c1ncc2c(c1C#N)CCC2 425202608 PVCAXUDBICHNQX-LLVKDONJSA-N 295.411 3.627 30 20 CHED CC(C)CC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 425838025 CZPAGYWYQYPAKX-XHSDSOJGSA-N 291.439 3.679 30 20 CHED C=CCOc1ccc(CNCC2(CC#N)CC2)cc1Cl 430021884 KPKMEXKQWYIZJK-UHFFFAOYSA-N 290.794 3.688 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccccc1C)C(C)(C)C 430334152 UGUQREDMYIBCKL-OAHLLOKOSA-N 274.408 3.958 30 20 CHED C=C(C)CNC(=O)N1CCC(c2ccc(F)cc2C)CC1 431922246 KDPFWYZGXMZIAL-UHFFFAOYSA-N 290.382 3.599 30 20 CHED C=CCC1(C(=O)NCCc2ccc(SC)cc2)CCC1 437518396 XDJLNROELHZPLY-UHFFFAOYSA-N 289.444 3.814 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)C2=CCCCC2)cc1 437842145 QPPXCLKGBRWMJW-UHFFFAOYSA-N 298.386 3.832 30 20 CHED Cc1cc(CNCc2nccc3ccccc23)ccc1C#N 443973084 ZFCOMHOGUYQREY-UHFFFAOYSA-N 287.366 3.705 30 20 CHED Cc1nc2ccc(NCc3ccc(C#N)c(C)c3)cc2o1 444004587 YTBMXMVCNCRKOF-UHFFFAOYSA-N 277.327 3.928 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 448819449 VTKXIUYWYKEEKD-SQNIBIBYSA-N 294.398 3.509 30 20 CHED C=CC[C@@H](C)NC(=O)c1oc2ccccc2c1CC 449887750 KSVMVAKWLJKBLQ-LLVKDONJSA-N 257.333 3.690 30 20 CHED C=C(CNC(=O)[C@H]1CCC[C@H]1CC)c1ccccc1 451754304 ISDNHQZJBOTKFO-ZBFHGGJFSA-N 257.377 3.642 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 455524664 BTQAIPMCTLIKAX-MRXNPFEDSA-N 290.382 3.947 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)[C@]1(C#N)CC12CCCC2 456348865 SDYBSGRKEZPLSZ-RLFYNMQTSA-N 288.435 3.599 30 20 CHED C=CCCC1(C(=O)NCC(C)(C)C2=CCCC2)CC1 457183492 ONQWIMGNSZMQRG-UHFFFAOYSA-N 261.409 3.986 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H]1CCN(c2ccccc2F)C1 462808830 WLYMZPBREFQQIU-HRCADAONSA-N 290.426 3.842 30 20 CHED Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC(C)C)c1 463240950 XXUYZHQQFWAMFI-NVXWUHKLSA-N 286.419 3.954 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N[C@@H](C#N)C(C)(C)C 464706921 FGJTXEWJTCAJLH-KGLIPLIRSA-N 264.413 3.647 30 20 CHED C=C(C)CN(CC)C(=O)CCc1c[nH]c2cc(C)ccc12 465034400 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CC(=NNc1cccc([N+](=O)[O-])c1C)c1cccc(C#N)c1 727973344 IICMZCSRIPLGCH-UHFFFAOYSA-N 294.314 3.611 30 20 CHED C#Cc1ccc(C(=O)N(CCC(C)C)CCC(C)C)cn1 728808254 HZYRXHAYAOTHNC-UHFFFAOYSA-N 286.419 3.597 30 20 CHED C[C@H](CC#N)N(C)Cn1c(=S)oc2ccc(Cl)cc21 728903834 GWZYMFXDFSUVLS-SECBINFHSA-N 295.795 3.809 30 20 CHED Cc1c(C(=O)/C=C/c2ccsc2)c(C#N)c2n1CCC2 730084363 BEMONJBSEJJDMA-SNAWJCMRSA-N 282.368 3.572 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)c1cccc2cccnc12 730147350 CEFJLNQTCSWGFU-UHFFFAOYSA-N 298.349 3.651 30 20 CHED C=CC[C@@H](C)NC(=S)Nc1ccccc1Cl 734986828 OERKADSPAGMYQN-SECBINFHSA-N 254.786 3.591 30 20 CHED Cc1ccc(CCOC(=O)C2(C#N)CCCCC2)cc1 735399491 KOZYRUBDBRNQKP-UHFFFAOYSA-N 271.360 3.555 30 20 CHED C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 741466475 SRXSBSNFVLSHLD-HPUUJOOBSA-N 276.336 3.688 30 20 CHED C=CCOc1ccc(OC(=O)c2cccc(C)c2)cc1 742864397 OZGJIOJKYBLVDX-UHFFFAOYSA-N 268.312 3.779 30 20 CHED Oc1ccc2ccccc2c1/C=N/CCOC1CCC1 743044115 FOTOLSOLNINFJA-LDADJPATSA-N 269.344 3.533 30 20 CHED CCCCCCCC(=O)Nc1cnn(C(C)(C)C)c1 744068040 TWQVVXVHJOISBX-UHFFFAOYSA-N 265.401 3.937 30 20 CHED CC#CCOC(=O)c1cc2c(Cl)cccc2s1 744558389 GDTOEWQADDGGOW-UHFFFAOYSA-N 264.733 3.735 30 20 CHED Cc1ccccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 748680011 NAIVWDCTTRVAFA-ZDUSSCGKSA-N 265.312 3.785 30 20 CHED O=C1/C(=C/c2ccc(Cl)nc2)CCc2ccccc21 748994301 MAGHKYZUVJSPPV-UKTHLTGXSA-N 269.731 3.948 30 20 CHED C=CCCCC(=O)[C@H](C#N)c1ccc2ccccc2n1 749021910 BJUWFEJQELRRDJ-CQSZACIVSA-N 264.328 3.767 30 20 CHED CCN(C(=O)C(C)=C(C)C)[C@H](C)c1ccc(C#N)cc1 751192844 RTCHBCPSIRBNHR-CQSZACIVSA-N 270.376 3.824 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc21 751527473 VRSPBLKCWRDMAM-YCRREMRBSA-N 281.330 3.714 30 20 CHED Cc1cccnc1CON=C(c1ccccc1)C(F)(F)F 751961646 HYWLWEGRSNKMRS-UHFFFAOYSA-N 294.276 3.873 30 20 CHED COc1cccc(CC(=NNc2ccccn2)C2CC2)c1 752722023 JOYSFSHZXCTNCO-UHFFFAOYSA-N 281.359 3.511 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@@]1(C)CCOC1 754169016 MTFOQJIJRDOSEJ-ZBFHGGJFSA-N 269.429 3.526 30 20 CHED COc1ccc2cccc(CC(=O)OCCCCC#N)c2c1 754306508 RRFFJRPCXBXDRG-UHFFFAOYSA-N 297.354 3.628 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(C)cc2Cl)c1 755346330 FMQBIPIMQZBZQA-UHFFFAOYSA-N 299.757 3.913 30 20 CHED CCC[C@@H](C)C=NNc1ccc(Cl)c(C(=O)O)c1 755468205 WLDWIDRFQIIBKE-SECBINFHSA-N 268.744 3.872 30 20 CHED CCSc1ccc(C(=O)/C=C\c2cn(C)nc2C)cc1 755606624 JTDIHCOPBVSUFO-YFHOEESVSA-N 286.400 3.737 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cn1)c1ccoc1 755880090 OJEWHCQXLLATTD-UHFFFAOYSA-N 269.226 3.530 30 20 CHED Cc1cc(/C=C/C(=O)c2cc(F)ccc2O)cc(C)c1O 757468607 SLVVTRWVEQRKDU-HWKANZROSA-N 286.302 3.750 30 20 CHED C#CC[C@H](NC(=O)/C=C/c1cccs1)c1ccccc1 757576820 FEIUJDXMDUAZSD-PCUGXKRQSA-N 281.380 3.642 30 20 CHED C=CCN(Cc1ccc(N2CCCCC2)cc1)C1CC1 757923482 NXDQLKPXYAJMTP-UHFFFAOYSA-N 270.420 3.827 30 20 CHED Fc1ccc(/C=C\C=NNc2nc3ccccc3[nH]2)c(F)c1 758074525 VTAPLYQVXPYNDZ-TWUMCCCFSA-N 298.296 3.952 30 20 CHED FC(F)CON=Cc1cc(Cl)ccc1Cl 758899121 FAFXQJFCQDURBM-UHFFFAOYSA-N 254.063 3.609 30 20 CHED Cc1cc(Br)ccc1C=NNC1CCCC1 759194930 KEYKSKGDNZBUQO-UHFFFAOYSA-N 281.197 3.624 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1cnccn1 763180234 QPYUVDDSKGRGFP-UHFFFAOYSA-N 281.146 3.620 30 20 CHED CC[C@@H](C(=O)OCC1(CC#N)CC1)c1ccc(F)cc1 764780193 RCLYNHYCWCHUOR-CQSZACIVSA-N 275.323 3.556 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1cnnc2ccccc12 766019693 ITSNNKRCFQHFQS-LLVKDONJSA-N 268.364 3.854 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1cc(C#N)cc(Cl)n1 766030657 XJJDIIDELBNMIK-SECBINFHSA-N 276.771 3.831 30 20 CHED Cc1cccc(C)c1CNC(=O)Nc1ccc(F)cc1C#N 766095935 WDDMKUWDIKJRKR-UHFFFAOYSA-N 297.333 3.636 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1C#N 766482692 CVYYKEGUMQGHDP-YCRREMRBSA-N 292.294 3.671 30 20 CHED Cc1oc2ccccc2c1CC(=O)N(CCC#N)CC(C)C 767078502 OLCAEKHSSBVLQN-UHFFFAOYSA-N 298.386 3.682 30 20 CHED C[C@H]1CC(=NNc2cccc([N+](=O)[O-])c2)CC[C@H]1C 767363298 YZYHPHJSWMQSFH-MNOVXSKESA-N 261.325 3.819 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)CC(F)(F)F)cc1 768273238 XYUWNDSXFPNOKW-NWDGAFQWSA-N 285.309 3.690 30 20 CHED CC(C)c1cccc2c1OCCCC2=NNc1cccnn1 768484909 MBPQRCYDMJWSBE-UHFFFAOYSA-N 296.374 3.589 30 20 CHED C#CCCN(Cc1cc2cc(F)ccc2o1)CC(F)(F)F 768535311 WYFYEDRKAJXEJU-UHFFFAOYSA-N 299.267 3.960 30 20 CHED C[C@@H](C(=O)OCCCCC(C)(C)C#N)N1[C@H](C)CC[C@H]1C 768718334 KMRMKLFCNOTQJN-KFWWJZLASA-N 294.439 3.511 30 20 CHED CCOc1ccc(O)c(C=Nc2cccc(C#N)c2C)c1 769774171 OILMJAKIRCPGEP-UHFFFAOYSA-N 280.327 3.722 30 20 CHED CCC(=NNCC(F)(F)F)c1cc(Cl)ccc1OC 769822794 XUPWPDLRINWZNY-UHFFFAOYSA-N 294.704 3.615 30 20 CHED CCc1nn(C)cc1C=NNc1ccc(Cl)c(Cl)c1 770595555 DWLDPTYITFLPKX-UHFFFAOYSA-N 297.189 3.735 30 20 CHED C=CC[C@H](N[C@H](C)c1nccs1)c1ccncc1 772457612 XZPJOUNWJGEYSF-YPMHNXCESA-N 259.378 3.506 30 20 CHED N#Cc1ccc(/C=C2/CCc3c(O)cccc3C2=O)c(F)c1 772808097 UDTGVJFSPJIZKX-LCYFTJDESA-N 293.297 3.615 30 20 CHED C=C(CC)CNc1ccc(/C=C\C(=O)OCC)cc1 773200991 NIPJJWCOPMGTSD-FLIBITNWSA-N 259.349 3.641 30 20 CHED C=C(CC)COC(=O)CCc1ccc2ccccc2n1 773475983 NDOCORKBNOTRRN-UHFFFAOYSA-N 269.344 3.677 30 20 CHED C#CCCCCC(=O)Nc1nc2ccccc2n1C1CC1 773516686 MAFULQABEUBFJD-UHFFFAOYSA-N 281.359 3.503 30 20 CHED C=C(CC)COC(=O)c1oc(-c2ccccc2)nc1C 773524734 UZLVIVOACXCHMG-UHFFFAOYSA-N 271.316 3.773 30 20 CHED C#CCCOC(=O)c1sc(-c2ccccc2C)nc1C 773998377 JRXUYGUSGPTOIC-UHFFFAOYSA-N 285.368 3.607 30 20 CHED C=CCCOCCN[C@H](CC)c1cc(Cl)ccc1O 775523818 NPIMGSKDHMEAOK-CQSZACIVSA-N 283.799 3.679 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H]2CCC(F)(F)C2)cc1 777243763 YBPWDCWBMLIROT-TZMCWYRMSA-N 279.330 3.537 30 20 CHED C=CCC[C@H](CC)Nc1ccc(OCC(C)(C)O)cc1 777692641 LWIKIMLOZAPGNW-AWEZNQCLSA-N 277.408 3.993 30 20 CHED CC1(C)CCC/C(=C/c2ccc([N+](=O)[O-])cc2F)C1=O 777918952 NZWKNOORKPGJHC-FLIBITNWSA-N 277.295 3.897 30 20 CHED C=CCC[C@@H](C(=O)Nc1n[nH]c(C)c1C)c1ccccc1 779040034 UTMYGMBPUPTERH-OAHLLOKOSA-N 283.375 3.715 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)Cc1ccc(C)s1 779917267 MNAYYMVCWQULOE-ZDUSSCGKSA-N 277.433 3.687 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NN1Cc2ccccc2C1=O 781598663 KQCKXWIPJSAULO-BBRMVZONSA-N 268.360 3.621 30 20 CHED Fc1ccccc1NN=Cc1sccc1Cl 782187154 WDYOPWHBXZZWKD-UHFFFAOYSA-N 254.717 3.987 30 20 CHED O=C(/C=C/C1=Cc2ccccc2OC1)c1ccnc(Cl)c1 782193662 GTDMFMZCYNXVGJ-AATRIKPKSA-N 297.741 3.950 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)cc1OC 782628948 PFSUBGDOHVTCCN-OAHLLOKOSA-N 297.782 3.516 30 20 CHED C#C[C@H](N[C@@H](C)c1cc2ccccc2s1)[C@H]1CCCO1 783294222 IMXYESFKLVKWGR-AEGPPILISA-N 285.412 3.733 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccsc1Cl 790218363 NGCOSBGUBNZDLW-SNAWJCMRSA-N 280.780 3.648 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=C[C@@H]1C[C@@H]1c1ccccc1 790310681 KRKRYWBZXNDJSF-QWHCGFSZSA-N 299.305 3.935 30 20 CHED N#CC[C@H](CC(=O)OCCCCCF)c1ccccc1 792270929 FJDHCXYQERXCAQ-OAHLLOKOSA-N 277.339 3.757 30 20 CHED CC[C@@H](C)CON=Cc1cccc(OCCCC#N)c1 793160933 YBIHNNHCRQXFQG-CQSZACIVSA-N 274.364 3.766 30 20 CHED C=CCCCCC[C@H](C)NC[C@H]1CCC[C@H](O)C1 793530607 BMWZZCIATLYKEH-JYJNAYRXSA-N 253.430 3.652 30 20 CHED C#Cc1cccc(N(CC)Cc2oc(CCC)nc2C)c1 794412477 PINGCCBGALEFDK-UHFFFAOYSA-N 282.387 3.943 30 20 CHED FC(F)(F)CCNN=C(CC(F)(F)F)c1ccccc1 794546585 ULGJKVBBQYADIL-UHFFFAOYSA-N 298.230 3.885 30 20 CHED COc1cccc(C(=O)/C=C\c2c(F)ccc(O)c2F)c1 794926091 IQTIYFUREGPLET-ALCCZGGFSA-N 290.265 3.575 30 20 CHED CC(C)c1nccnc1NN=C1CCC[C@@H]1c1ccccn1 794935122 FIWJFMUOQIFMRZ-CYBMUJFWSA-N 295.390 3.731 30 20 CHED COCCN(C)N=CCCc1ccc(-c2ccccc2)cc1 794967484 HAWITNISUPVUIG-UHFFFAOYSA-N 296.414 3.850 30 20 CHED Cc1cccc(C=NNc2cccc(F)n2)c1OC(F)F 795008921 SXGDTEYYVIRBQM-UHFFFAOYSA-N 295.264 3.577 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 795026239 AYNWJFLOFXYDFK-DZGCQCFKSA-N 292.423 3.502 30 20 CHED CC[C@](C)(C#N)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 795558458 VLJIYUHEOOEZCD-JKIFEVAISA-N 278.440 3.895 30 20 CHED CC[C@H](C)CCC(=O)OCc1cc(C#N)ccc1F 797099003 IQPBBEKGUQHOPY-NSHDSACASA-N 263.312 3.567 30 20 CHED CC/C=C(\C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797572350 YGYXRAANZFJINJ-PFEDMVJOSA-N 276.405 3.973 30 20 CHED C=CCc1cc(OCC)cc(CN2CCC=C(C)C2)c1O 797823062 KOTPGBCHECPKKE-UHFFFAOYSA-N 287.403 3.671 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1C#N 799342443 QRCITSQTZHKDBH-GRDNDAEWSA-N 282.387 3.565 30 20 CHED CCC[C@H]1CCCCN1C(=O)c1ccc(C)c(C#N)c1 799365723 LAIBFXAWFDMXBG-INIZCTEOSA-N 270.376 3.662 30 20 CHED COc1cc(CN2Cc3ccccc3[C@H](C)C2)ccc1C#N 799728779 GJKXMKVXVYYASF-CQSZACIVSA-N 292.382 3.686 30 20 CHED C#CC[C@@H](Nc1cccc(Cl)n1)c1ccccc1 800861112 DEEBFWVJKQLJTM-CYBMUJFWSA-N 256.736 3.912 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cccc(OCC(C)C)c1 802844113 ULNVQACCSBVZEM-QGZVFWFLSA-N 289.375 3.704 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1cc(C#N)ccc1NC1CC1 803314254 WIOKYCASBLEHHL-VAWYXSNFSA-N 283.375 3.817 30 20 CHED C#C[C@@H](NC(=O)CC(C)(C)C)c1ccc(Cl)cc1F 804422881 ZUCZCANPVABDFN-CYBMUJFWSA-N 281.758 3.706 30 20 CHED C=CCCCCCCNC(=O)c1cc(-c2ccncc2)on1 805217664 HQFQYTRFTXYQAP-UHFFFAOYSA-N 299.374 3.603 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H](C)c1ccc(C)cc1)C(C)(C)C 808314392 SKHKTTBRTKSXTB-ZBFHGGJFSA-N 286.419 3.745 30 20 CHED C#Cc1ccc(CN[C@@H]2CCCc3cn(C(C)C)nc32)cc1 809640852 OMGKXYJOMBPLEA-GOSISDBHSA-N 293.414 3.613 30 20 CHED C[C@@H](NCCCCC#N)c1ccc(N2CCCCC2=O)cc1 810127756 FWSHBPSBFAZGPZ-OAHLLOKOSA-N 299.418 3.548 30 20 CHED C=CCCCCCCCN[C@@H]1CCCc2c1cnn2C 810243635 RXYKPOIXPXYIJL-MRXNPFEDSA-N 275.440 3.914 30 20 CHED C#CC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 811491539 LRPSWQVCQYRGCI-UHFFFAOYSA-N 294.335 3.660 30 20 CHED Cc1cccc(C=NOC/C=C/Cl)c1OC(F)F 811668287 DCLWGNIHBHQRFE-HCVKYZOSSA-N 275.682 3.699 30 20 CHED Cc1cc(Cl)cc2c1O/C(=C/c1ccc(F)nc1)C2=O 811696590 FTYSGOQEROTZLJ-LFYBBSHMSA-N 289.693 3.799 30 20 CHED COc1cc(/C=C/C(=O)c2ccc(OC)c(O)c2)ccc1C 811698682 NCJYQZAKUALXSF-SOFGYWHQSA-N 298.338 3.614 30 20 CHED C#CCON=Cc1ccc(-c2ccc(Cl)cc2)o1 812234461 IZRLDZLKDJETPA-UHFFFAOYSA-N 259.692 3.584 30 20 CHED CC(=NOCCC1CC1)c1ccc(N2CCCC2)cc1O 814246966 KKNJAMYSPRMXGS-UHFFFAOYSA-N 288.391 3.533 30 20 CHED C=CCC(C)(C)c1noc(CCc2ccc(N(C)C)cc2)n1 815706931 CUGLTSCYDUWPNZ-UHFFFAOYSA-N 299.418 3.775 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 820854128 ZUJUOYXVKXAQEW-MCIONIFRSA-N 293.370 3.632 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2ccc(Cl)nc2s1 823713345 AAOVMXCCJUAIBH-UHFFFAOYSA-N 295.795 3.886 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)c1cc(C#N)ccc1F 830020572 CPQKXLZIARATCQ-CQSZACIVSA-N 288.366 3.738 30 20 CHED CCC(CC)NN=Cc1sc(C)cc1Br 834959357 JOLKACUVVUWNMA-UHFFFAOYSA-N 289.242 3.931 30 20 CHED CCc1cccc(C)c1NN=CCCc1cnoc1 834977222 RKHDXKVVYCKGPE-UHFFFAOYSA-N 257.337 3.576 30 20 CHED C[C@H](NN=Cc1c[nH]c2cc(Cl)ccc12)C(F)(F)F 834996851 WWVXFZQZEZYONC-ZETCQYMHSA-N 289.688 3.696 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1cccc(Cl)c1 835108043 WHRDHHODSGUGSZ-GDLCADMTSA-N 280.751 3.535 30 20 CHED C=CCC(C)(C)C(=O)OCc1ccc(C)c([N+](=O)[O-])c1 835481923 RWEYBWNCBWKOMX-UHFFFAOYSA-N 277.320 3.549 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(F)cc2Cl)C1 839043989 OIEWEHGLDZLEQB-KOLCDFICSA-N 281.714 3.718 30 20 CHED CCc1ccnc(C(=O)OCCC2(C#N)CCCCC2)c1 840407894 VGVOFVUHRGBSPL-UHFFFAOYSA-N 286.375 3.665 30 20 CHED CC1(C)CCC1=NNc1cc(CO)ccc1Br 841653764 JIXDEAGONUHRBT-UHFFFAOYSA-N 297.196 3.529 30 20 CHED Cc1csc([C@H](C#N)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 842281416 LLFGQNGSIXBCMB-CPUCHLNUSA-N 296.395 3.822 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc2oc(C)c(C)c2c1 844633072 VZQZAOXPEAVJJM-VIFPVBQESA-N 274.320 3.677 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@@H](C)C2CC2)cc1 847041850 DDPWGHBBTYTGMX-DYVFJYSZSA-N 284.403 3.708 30 20 CHED CC/C=C(/C)C(=O)N(C)[C@@H](C#N)c1ccc(CC)cc1 847043362 LVSDTLJULILOFK-DJXGBFBFSA-N 270.376 3.628 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)CCC1CCCC1 851214720 VNQBVCVDIYQFLB-GFCCVEGCSA-N 251.370 3.828 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@@H](C)c1ccncc1 851299336 HLFFPOJPMAXNIE-CYBMUJFWSA-N 261.365 3.721 30 20 CHED FC(F)(F)[C@@H]1CCC[C@H](C=NOCc2cccnc2)C1 853323166 RQCGVQPPQRAGGP-WCQYABFASA-N 286.297 3.953 30 20 CHED C=C(Cl)CSCc1ccc(OC)c([N+](=O)[O-])c1 853784249 ZVUVUCHBBUMLPB-UHFFFAOYSA-N 273.741 3.589 30 20 CHED C#CCCOC(=O)N[C@@H](C)c1oc2ccccc2c1C 859130537 PTDNIFTYPXJOJH-LBPRGKRZSA-N 271.316 3.552 30 20 CHED COc1cccc(/C=N/CC(C)(C)c2ccc(C)cn2)c1O 864346421 WGONALJLPYMVFG-YBFXNURJSA-N 298.386 3.501 30 20 CHED Cc1ncc([C@@H](C)Nc2nc(Cl)c(C#N)s2)s1 866055784 HBESAHPQPSUWKY-RXMQYKEDSA-N 284.797 3.606 30 20 CHED CCCCCC[C@@H](C)NC(=O)Nc1cc(CC#N)ccn1 871720032 ASUQTGKZWFXBMW-CYBMUJFWSA-N 288.395 3.628 30 20 CHED CCCCSCCC(=O)Nc1cc(C#N)c(F)cc1F 876348024 WEGKXFYVWJYJKS-UHFFFAOYSA-N 298.358 3.698 30 20 CHED C=C[C@H](C)NCc1ccc(NC(=O)OC(C)(C)C)cc1 877086970 CZNNXSCGTJAAOD-LBPRGKRZSA-N 276.380 3.698 30 20 CHED CN(C)c1cccc([C@@H]2CCCN2CC2(CC#N)CC2)c1 878132601 ADJUVMIIWXXDTI-KRWDZBQOSA-N 283.419 3.583 30 20 CHED C=CC(C)(C)CC(=O)NC[C@@H](C)c1nc2ccccc2o1 879059994 OYHFXXZHRVEGPW-GFCCVEGCSA-N 286.375 3.650 30 20 CHED C#CCCCCC(=O)NC(C)(C)c1ccc(F)cc1F 894769307 CJZBVGZXCRKPRT-UHFFFAOYSA-N 279.330 3.510 30 20 CHED CC(C)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cnn(C)c1 896427060 FJQKDRMLFQUVBL-OAHLLOKOSA-N 288.782 3.754 30 20 CHED C=C1CC(c2noc([C@H]3CCc4cc(OC)ccc4C3)n2)C1 896875660 KDYQJGUMYFJLTE-AWEZNQCLSA-N 296.370 3.784 30 20 CHED COc1cc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)sn1 901488106 DSZHEFICWAQWAL-ACLQVGRQSA-N 297.379 3.852 30 20 CHED C=CCC[C@@H](CC)N[C@H](C(=O)O)c1cc(C)cc(C)c1 901530456 HTQAUORPQYYNRG-CVEARBPZSA-N 275.392 3.764 30 20 CHED C=C1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)CC1 902231720 QRAWCDYCBUUEHB-UHFFFAOYSA-N 297.354 3.797 30 20 CHED CC(=O)c1ccc(OC(=O)CCCCCC#N)cc1Cl 906246039 NOOBUDCBJSSMHN-UHFFFAOYSA-N 293.750 3.922 30 20 CHED CCOc1ccc([C@@H]2CCCN2c2ccnc(C#N)c2)cc1 911648680 ULGUSJNZKDZSGZ-SFHVURJKSA-N 293.370 3.693 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)s1 915105836 GVZBKTCCQFEXCR-CMDGGOBGSA-N 286.352 3.580 30 20 CHED Clc1ccc(-n2cc(C=NNc3ccccc3)cn2)cc1 915933004 HQIJVRXONMNZRE-UHFFFAOYSA-N 296.761 3.972 30 20 CHED CCCNN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 915965086 DQMFTAJPKZPCLE-UHFFFAOYSA-N 289.360 3.657 30 20 CHED CC(=NNc1ccc(Cl)cc1)c1ccc(O)cc1O 916246892 OGXZJLNVZHQQNV-UHFFFAOYSA-N 276.723 3.587 30 20 CHED Cc1ccc(Cl)cc1NC(=O)NCc1ccc(C#N)cc1 916411175 SAEDZLVPYYZXHO-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C=CCc1ccccc1OC(=O)/C=C\c1ccccc1C#N 916858810 DYDIGZJDMWXZFK-SEYXRHQNSA-N 289.334 3.906 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cncs1 917873070 UZOGKZKTVFEKPN-LBPRGKRZSA-N 268.426 3.870 30 20 CHED CCCCCCCCCN(C)C(=O)/C=C\c1cnn(C)c1 918668465 IQJQWMBTXYWZQZ-QXMHVHEDSA-N 291.439 3.642 30 20 CHED CCOc1cccc(/C=N\Cc2ccc(C)c(OC)c2)c1O 920174795 QIDJOJSSHMWKSZ-UNOMPAQXSA-N 299.370 3.727 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)OCc1cc(C#N)ccc1F 920727130 KIJMYYAFKHIAJE-GXTWGEPZSA-N 289.350 3.957 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cccc(C#N)c1 925184341 BHAQKSRVIPMLPC-STQMWFEESA-N 255.365 3.537 30 20 CHED CCc1c(N[C@@H](C)CC(C)(C)C#N)cnn1CC(C)C 925947922 YAHBVGIVYQJGFH-ZDUSSCGKSA-N 276.428 3.842 30 20 CHED Cc1ccc(CN(C)C)cc1N[C@H](C)CC(C)(C)C#N 926098926 JAOTXWRHVAFYKK-CQSZACIVSA-N 273.424 3.797 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)[C@@H]1OCCc2sccc21 926471626 AMZDUYZOKBJGJA-JMSVASOKSA-N 292.448 3.668 30 20 CHED CCCCC[C@H](C(=O)N1CCC[C@H](C#N)C1)C(C)C 928221650 QYDRPJYADZEVSR-CABCVRRESA-N 264.413 3.601 30 20 CHED C=C1CN(C(=O)Nc2ccc(OCCC)c(Cl)c2)C1 929852503 DMPUQBFQVDIYFC-UHFFFAOYSA-N 280.755 3.533 30 20 CHED C#CCN(C(=O)Nc1ccc2cc(OC)ccc2c1)C(C)C 931379041 PLUSTYWKPOUEFK-UHFFFAOYSA-N 296.370 3.724 30 20 CHED CCC(CC)N(CC)C(=O)c1cc(C#N)ccc1C 936015809 ZLBSBAIPFMDTJV-UHFFFAOYSA-N 258.365 3.517 30 20 CHED CC#CCOC(=O)CC1c2ccccc2Oc2ccccc21 1116158606 JJULQYFCVNHBEN-UHFFFAOYSA-N 292.334 3.881 30 20 CHED C=CCC[C@H](CC)NCc1cc(OCC(F)F)ccn1 1116496988 AVTYYEPLFKTMNC-LBPRGKRZSA-N 284.350 3.560 30 20 CHED C=C[C@H](COC)NCc1ccc(N(C)c2ccccc2)cc1 1116615828 OLVXCKVJSNTEIS-QGZVFWFLSA-N 296.414 3.745 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCC#N)cc1 1116894758 QBXFWJUTLMEPEY-BBRMVZONSA-N 286.375 3.744 30 20 CHED C=C(CC)C(=O)Nc1ccc(F)cc1OCC1CC1 1123690047 RRLQOIRVLBKSMH-UHFFFAOYSA-N 263.312 3.519 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)CCC2(C)CC2)cc1 1129379322 JEUBBSAEPDDWAW-INIZCTEOSA-N 284.403 3.852 30 20 CHED Cc1ccccc1CC(C)(C)Nc1ncc(C#N)cc1F 1161450792 HXGWARXSJOXSTF-UHFFFAOYSA-N 283.350 3.834 30 20 CHED CCC[C@H]1CCCC[C@@H]1CNc1cc(C#N)nc(C)n1 1163499235 BOBUHUOUOHUUMW-UONOGXRCSA-N 272.396 3.675 30 20 CHED COc1cccc(OC)c1SCCc1ccc(C#N)cc1 1165985135 OXHYRWLQOHNVIZ-UHFFFAOYSA-N 299.395 3.910 30 20 CHED N#Cc1ccc(SCc2ccc(F)c3cccnc23)nc1 1188612801 UPENKFBHVVRIEJ-UHFFFAOYSA-N 295.342 3.933 30 20 CHED N#Cc1ccccc1OCc1nnc(/C=C/C2CCCC2)o1 1261573334 QQNXIGUKEGDADO-MDZDMXLPSA-N 295.342 3.724 30 20 CHED CN(CC(C)(C)C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 1298412117 LJCFFBBZNZVXQL-UHFFFAOYSA-N 278.440 3.847 30 20 CHED C=C(Br)CN1C[C@@H](C)C[C@@H]1c1ccccc1 1307754465 WWVJXRXCOWEWTB-SMDDNHRTSA-N 280.209 3.978 30 20 CHED CCN(Cc1ccc(C)cc1)C(=O)CC#Cc1ccccc1 1319312602 UHUVLORNJJXLTP-UHFFFAOYSA-N 291.394 3.785 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)CC(C)(C)C#N 1321036208 UZQARZUBDZTOFF-RBSFLKMASA-N 278.440 3.751 30 20 CHED CC(CCCCCCC(=O)O)=NNCc1ccc(F)cc1 1324925093 PXAHDMNZCDNPEQ-UHFFFAOYSA-N 294.370 3.716 30 20 CHED C=C(C)CCC(=O)N(C)c1cc(Cl)ccc1C 1337501968 BLCGDPSVWQABGY-UHFFFAOYSA-N 251.757 3.968 30 20 CHED C=C(C)CCC(=O)Nc1c(Cl)ccc2nsnc12 1340490441 SXEOOLCXZKXUMU-UHFFFAOYSA-N 281.768 3.640 30 20 CHED Nc1ccc2c(c1)C(=NNCc1ccccc1Cl)CCC2 1343882749 VARHPMVGXIBOJH-UHFFFAOYSA-N 299.805 3.752 30 20 CHED Cc1ccc2occ(CC(=O)Nc3sccc3C#N)c2c1 1349631961 RNARFKBGWKREPO-UHFFFAOYSA-N 296.351 3.856 30 20 CHED COc1cc(C#N)ccc1C(=O)O[C@@H]1CC[C@@H](C)C[C@H]1C 1354002155 HHDUTQHTPLWYGZ-LALPHHSUSA-N 287.359 3.548 30 20 CHED CCc1ccccc1C(=O)OCc1cc(C#N)ccc1F 1435413286 VIQZKHQHRHEPEV-UHFFFAOYSA-N 283.302 3.617 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1ccc(C#N)cc1F 1457224568 MYMFOOJSHCYTFQ-UHFFFAOYSA-N 290.382 3.984 30 20 CHED C=C(Cl)CN1CCC[C@H](c2nc3c(s2)CCC3)C1 1460798047 ZMNXYIDQNYCXLM-NSHDSACASA-N 282.840 3.564 30 20 CHED Cc1cc(CNc2cncc(C(F)(F)F)c2)ccc1C#N 1461823024 RMEBWUFHQWSFNO-UHFFFAOYSA-N 291.276 3.893 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](C)C[C@@H](C)C2)c1 1476740530 NUDSNMGQYSYZAF-TZMCWYRMSA-N 285.391 3.767 30 20 CHED C[C@H]1CC=CC[C@@H]1COC(=O)C1(c2cccc(C#N)c2)CC1 1523861700 BXQQAWTUYVQZCB-GOEBONIOSA-N 295.382 3.735 30 20 CHED C[C@H](CC#N)OC(=O)c1ccccc1NCc1ccccc1 1523861888 JLZOXJFGFFOORU-CQSZACIVSA-N 294.354 3.758 30 20 CHED CCOc1ccccc1NC(=O)c1cc(C#N)ccc1C 1523936440 JQPLWXNOIWTOQE-UHFFFAOYSA-N 280.327 3.518 30 20 CHED COc1ccccc1[C@H](C)OC(=O)c1ccc(C#N)cc1F 1584204258 FTSDEMNLNVSTRZ-NSHDSACASA-N 299.301 3.624 30 20 CHED C=C(CC)CNc1cccc(C(=O)O)c1Br 1588607046 QFCLNCPXUNHQJC-UHFFFAOYSA-N 284.153 3.525 30 20 CHED C=CC[C@@H](C)NCc1ccc(-c2ccc(C(=O)O)cc2)o1 1602837354 NPYMPRXAROGKNQ-GFCCVEGCSA-N 285.343 3.699 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(C)sc(C)c1C(=O)O 1602837455 VKDAUDVKAJNTMC-UHFFFAOYSA-N 293.388 3.770 30 20 CHED C=CCC[C@H](CC)Nc1cc(C(=O)O)cc(OC)c1OC 1602856651 DZMOPYBDDBRJCJ-LBPRGKRZSA-N 293.363 3.559 30 20 CHED Cc1cc(NC[C@H]2C[C@@H]2C)n2c(nc3ccccc32)c1C#N 1611797176 CDKQGVZJYJBHMO-WCQYABFASA-N 290.370 3.736 30 20 CHED CC(C)CCN(CCC#N)c1cc(-c2ccccc2)ncn1 1612171218 KJXHRACBQIYNKR-UHFFFAOYSA-N 294.402 3.910 30 20 CHED Cc1c(Cl)cnc(N(C)[C@H]2CCCC[C@H]2C)c1C#N 1642044747 HKRHGRSIKDNAQR-YGRLFVJLSA-N 277.799 3.930 30 20 CHED N#Cc1cccc(NCC2(Cc3ccccc3)CCC2)n1 1642412758 RGYKNEWFEOHPEF-UHFFFAOYSA-N 277.371 3.778 30 20 CHED CC(C)(C)CCCN1CCN(c2ccsc2C#N)CC1 1643811143 KFRMQUCNCNOJJB-UHFFFAOYSA-N 291.464 3.568 30 20 CHED CC(C)(C)[C@H]1CCCN1CCc1ccc(C#N)cc1 1644728785 MTEJPZURJUBYPH-MRXNPFEDSA-N 256.393 3.611 30 20 CHED N#Cc1ccc(SCC(=O)c2ccc(F)cc2F)cc1 1651772346 YKTCKQCMQJGCKJ-UHFFFAOYSA-N 289.306 3.811 30 20 CHED CO[C@H](CSc1cc(C#N)ccn1)c1ccc(F)cc1 1652603524 MESUUMGFSLYFCR-CQSZACIVSA-N 288.347 3.572 30 20 CHED N#Cc1ncccc1SCCc1ccccc1Cl 1656553350 LLXPKFNFIHZYMW-UHFFFAOYSA-N 274.776 3.941 30 20 CHED C[C@@H]1CCC[C@H](CN(C)Cc2ccc(C#N)cc2)C1 1657421408 YSKDZSRNJJOBMJ-PBHICJAKSA-N 256.393 3.816 30 20 CHED Cc1cc(C#N)cc(NC(=O)NCc2cscc2C)c1 1670906016 ZSGMIUATJIWQLW-UHFFFAOYSA-N 285.372 3.558 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 1776160946 LZGURNWIJUMTOM-IRXDYDNUSA-N 299.414 3.533 30 20 CHED C[C@@H]1O[C@H]1C(=O)Nc1ccccc1-c1ccc(Cl)cc1 2088607586 FTEDDOKILVTOEZ-ZUZCIYMTSA-N 287.746 3.733 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C(C)(C)C)cc1 7523218 BEDQUJCLVKKAFF-UHFFFAOYSA-N 262.422 3.847 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 104416655 GNTMYBSAHLZYMH-YVEFUNNKSA-N 292.338 3.945 30 20 CHED CC(C)Oc1ccc([C@H](C)Nc2ncccc2C#N)cc1 52356050 OOTGJUCPNVCLDV-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED COc1ccc(C#N)cc1CNc1ccc2scnc2c1 178786969 DGVUXWGCWSVOTN-UHFFFAOYSA-N 295.367 3.789 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Oc2ccccc2)ccn1 174320717 WVQJMIQCOXQRKN-CYBMUJFWSA-N 282.343 3.568 30 20 CHED C[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173328756 WAUJYGUDKXSFST-WQHBLYJGSA-N 297.185 3.515 30 20 CHED CC[C@H]1CCc2ccccc2N1C(=O)c1cccc(C#N)c1 177663129 IPEFFUDUKJAAET-KRWDZBQOSA-N 290.366 3.930 30 20 CHED CCOc1ccccc1CNc1ccc(Cl)c(C#N)n1 67369303 SRBYHWZSWWSNHS-UHFFFAOYSA-N 287.750 3.617 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H](C)c1ccccc1F 108994576 IXRXDRKZTPNXEE-AWEZNQCLSA-N 290.382 3.718 30 20 CHED CCCC[C@H](CCC)NC(=O)C1(C#N)CCCC1 177650186 QRLQLSYMWBZHEQ-ZDUSSCGKSA-N 250.386 3.545 30 20 CHED CCN(C[C@@H]1CC[C@@H](C)O1)[C@@H](C)c1ccc(C#N)cc1 248889982 IBFRWFXMKJDATD-KEYYUXOJSA-N 272.392 3.509 30 20 CHED C=CCCO[C@H](C)c1nc(-c2cccc(F)c2)no1 109606033 VJGJOCYZTDWJDR-SNVBAGLBSA-N 262.284 3.529 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Cl)cc2cccnc12 116851340 RTOLNGFQPMXMHM-SNVBAGLBSA-N 274.751 3.583 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ccc(C#N)cn1 52324870 XRNQVKCSDANHQU-AWEZNQCLSA-N 281.359 3.980 30 20 CHED CCCC1(C/N=C(/N)Nc2ccc(C)c(C)c2)CC1 305094735 RLHZVLKWGJXWTD-UHFFFAOYSA-N 259.397 3.610 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 301104883 JBUSISKPBOWDKJ-RDTXWAMCSA-N 278.355 3.525 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)C1CCCCC1 110011716 AZNASCDTRZVXFH-SFHVURJKSA-N 284.403 3.598 30 20 CHED CN(C)[C@H](CNc1ccc(Cl)cc1C#N)c1ccccc1 301201755 PQIMQUXCHVBPSN-QGZVFWFLSA-N 299.805 3.926 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(O[C@@H](C)C#N)cc1 119022921 UVTWIKOKFWDKCG-LJLILKBBSA-N 281.311 3.775 30 20 CHED Cc1cccc([C@@H](C)CNc2ccc([N+](=O)[O-])c(C#N)c2)c1 302200250 RFXKZTNYXAIEEK-ZDUSSCGKSA-N 295.342 3.991 30 20 CHED Cc1ccc(/N=C2\NN=C(c3cc(C)[nH]c3C)CS2)cc1 23622521 RCTVYVYNTLYINN-UHFFFAOYSA-N 298.415 3.668 30 20 CHED CCCCCCCC(=O)N1CCCN(C2CCCC2)CC1 172417161 YZUOVXOZBFFDLK-UHFFFAOYSA-N 294.483 3.824 30 20 CHED C[C@H]1CCC[C@H](C)N(c2ccc(Cl)c(C#N)n2)C1 301588435 PVRYYSBIUYTXHV-QWRGUYRKSA-N 263.772 3.622 30 20 CHED C=CCN1CCC(N[C@H]2CC(C)(C)Cc3occc32)CC1 177907544 MJXQMSAVJSGPPA-INIZCTEOSA-N 288.435 3.533 30 20 CHED C=CCCC(=O)NC1(c2cccc(Br)c2)CC1 125670201 OQOJVJYOIXMGJS-UHFFFAOYSA-N 294.192 3.521 30 20 CHED CSCCN(C)c1c(C#N)cnc2c(C)cc(C)cc12 301545761 DXPMLSHDXVNOLZ-UHFFFAOYSA-N 285.416 3.523 30 20 CHED CCCCCCCC(=O)N[C@H](C)CCc1cccn1C 174601132 KJMVLLJJLBGZDJ-OAHLLOKOSA-N 278.440 3.823 30 20 CHED CN(Cc1ccccc1O)c1c(Cl)cccc1C#N 302620346 GUAYSJMYVXWOBU-UHFFFAOYSA-N 272.735 3.554 30 20 CHED N#CCOc1cccc(NCc2cc3ccccc3o2)c1 37069437 DWDBLUQXRGSCLM-UHFFFAOYSA-N 278.311 3.947 30 20 CHED CN(Cc1ccncc1)c1ccc(C(F)(F)F)cc1C#N 36776860 IMOZGXNODJTCOS-UHFFFAOYSA-N 291.276 3.608 30 20 CHED CC(C)Oc1ccccc1CNCc1cccc(C#N)c1 37748873 MGVNDHISINKLFS-UHFFFAOYSA-N 280.371 3.635 30 20 CHED N#CC1(COC(=O)c2coc3ccccc23)CCCC1 183871283 PNOLYMAEKXGENT-UHFFFAOYSA-N 269.300 3.674 30 20 CHED C[C@H](CCc1ccco1)Nc1nc(Cl)c(C#N)s1 235453635 NUUXSVLHFAQSNX-MRVPVSSYSA-N 281.768 3.694 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(C#N)s1)CCC2 507714288 OIQNMYCYXPORFJ-UHFFFAOYSA-N 268.385 3.881 30 20 CHED C=CC(C)(C)C(=O)Nc1ccccc1C(C)(F)F 411038547 VHEOKONGNKIISM-UHFFFAOYSA-N 253.292 3.949 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc([C@H]2CCC(=O)N2)c1 414312770 JUNMAPDELYYNMH-HEHGZKQESA-N 272.392 3.650 30 20 CHED C=C1CCN(C/C(C)=C/c2ccccc2COC)CC1 508248059 KVEGECXUOYMUIX-FOWTUZBSSA-N 271.404 3.888 30 20 CHED C=C(C)[C@H](NC(=O)CCOC(C)C)c1ccc(F)c(F)c1 186030537 KXEWPXJPKRIABJ-INIZCTEOSA-N 297.345 3.513 30 20 CHED CC[C@H](CC#N)NCc1ccc(Oc2ccccc2)o1 184094173 YBELHHOKOMDYKT-CYBMUJFWSA-N 270.332 3.854 30 20 CHED C=CCC[C@@H](C(=O)N[C@H]1CC=CCC1)c1ccccc1 188134258 HROUDMLSRVYPIX-DLBZAZTESA-N 269.388 3.961 30 20 CHED N#CCCN(Cc1cccc2ccccc12)CC1CC1 174696561 IHJKUIZEMFBYBR-UHFFFAOYSA-N 264.372 3.965 30 20 CHED C=C(Cl)CN1C[C@@H](c2ccccc2C)OC[C@H]1C 75785773 SZKCLFRKVJXTNN-HIFRSBDPSA-N 265.784 3.509 30 20 CHED CC[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@H](C)O1 124376242 SBFUZCQGRHRXNU-JQWIXIFHSA-N 298.308 3.581 30 20 CHED CC#CCCNC(=O)N[C@H](C)c1ccc(F)c2ccccc12 502111710 MOBZFBPAYRXLAL-CYBMUJFWSA-N 298.361 3.753 30 20 CHED CCN(CC)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 75460251 RCJHSEWMVAHKJB-UHFFFAOYSA-N 294.354 3.833 30 20 CHED C=C(C)[C@H](N[C@H](COC)C1CC1)c1ccc(F)c(F)c1 186448462 HIZFBWRONOURDN-CVEARBPZSA-N 281.346 3.597 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc(C)cc2c(C)ccnc12 410835542 OCCKRKHMMMJSFN-AWEZNQCLSA-N 295.386 3.616 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Oc1cc(Cl)ccc1C#N 313783791 BLLKRNIURJNBGT-UHFFFAOYSA-N 299.673 3.784 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](CC)c1ccc(OC)cc1 78319339 YRAKNUIFUIDGTQ-INIZCTEOSA-N 290.407 3.754 30 20 CHED CC(C)=CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 412376970 AWPTWXHYGBSIGH-FHLIZLRMSA-N 296.414 3.913 30 20 CHED C[C@@H](Nc1nc2ccccc2cc1C#N)c1ccccn1 71385771 HDYMESXOIMECIX-GFCCVEGCSA-N 274.327 3.675 30 20 CHED CN(CC[C@@H]1CCCCN1C)CCC1(C#N)CCCCC1 411291044 IKJPYAQJNKAREF-KRWDZBQOSA-N 291.483 3.657 30 20 CHED CC[C@@H](CC#N)NCc1c(Cl)cccc1N1CCCC1 184082565 GZQGJKSSNCENFN-ZDUSSCGKSA-N 291.826 3.722 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 185730542 AIOHBUZVLKRPSN-PKOBYXMFSA-N 296.414 3.731 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 411322287 JQRJTJQCTADENE-VIBAHUMZSA-N 296.414 3.699 30 20 CHED CCCCOc1ccccc1CN(CC#N)CCC 136169946 IMBAYYHWIADXMO-UHFFFAOYSA-N 260.381 3.601 30 20 CHED N#Cc1cccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 610271343 HURXYJFNZVMWPG-GVDBMIGSSA-N 254.377 3.617 30 20 CHED Cn1nccc1CSCCC1(C#N)CCCCC1 419438459 HKAFYHQCBRLJEW-UHFFFAOYSA-N 263.410 3.517 30 20 CHED CCc1nc(C)c(/C(O)=N/C2CCC3(CC2)CC3)o1 329021591 SZNUOSXTOAMFTF-UHFFFAOYSA-N 262.353 3.573 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1cc(F)ccc1OC 190729567 TUCSWIYSOKYVNU-BDJLRTHQSA-N 279.355 3.614 30 20 CHED CC(C)C1CCC(/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)CC1 328941923 TWTBCLZFWMQSGB-ABXWRUBCSA-N 280.412 3.913 30 20 CHED CC1CC(NC(=O)c2ccccc2-c2ccccc2C#N)C1 80055467 DOBWHZYEWAEZAA-UHFFFAOYSA-N 290.366 3.754 30 20 CHED CC[C@H](Nc1cc(C#N)cc(C)n1)c1ccccc1 161038482 IWRCAKJAHMRZNR-HNNXBMFYSA-N 251.333 3.825 30 20 CHED C=CCOc1ccc(CNCc2ccc(C)s2)cc1 48068695 VMPUGGAUXKFSNG-UHFFFAOYSA-N 273.401 3.911 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CC)CCC 194623223 HOGBMRCIOJTMOX-KRWDZBQOSA-N 299.418 3.835 30 20 CHED N#Cc1csc(CN[C@@H]2C[C@@H]2C2CCCCC2)c1 530640591 XFQYTIUOLCHMPO-HUUCEWRRSA-N 260.406 3.678 30 20 CHED CC(C)[C@@H](CNc1cc(C#N)ccn1)Nc1ccccc1 516577684 GMLKZOPNVZVLGV-MRXNPFEDSA-N 280.375 3.502 30 20 CHED N#CC1(C(=O)N[C@@H]2CCc3c(Cl)cccc32)CCCC1 49318497 RAHAXQPKWWXITR-CQSZACIVSA-N 288.778 3.527 30 20 CHED CC1(CC(=O)N[C@H](C#N)C2CCCCC2)CCCCC1 512619551 ONCDORSRAHHSDY-OAHLLOKOSA-N 276.424 3.936 30 20 CHED CC1(C)CCC(/N=C(/O)C2CCC(=O)CC2)(C(=N)O)CC1 328896428 WTEUDRLNMWCNOH-UHFFFAOYSA-N 294.395 3.576 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[C@H](O)C1 229730857 XHKJHLGOPQCPJY-MFKMUULPSA-N 298.308 3.540 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(NCCC)cc1 192597239 GPAIZTFBKZEVQY-UHFFFAOYSA-N 289.423 3.616 30 20 CHED CC(C)(CCC#N)COC(=O)c1coc(-c2ccccc2)n1 195071115 AANMLESIRMAURM-UHFFFAOYSA-N 298.342 3.828 30 20 CHED CC[C@H](C)c1cc(C(=O)Nc2ccc(CC#N)cc2)on1 131594572 NNIPBZUHGJWTBA-NSHDSACASA-N 283.331 3.506 30 20 CHED C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 516391418 IWAHGKUHIDKCGU-KEYYUXOJSA-N 284.403 3.952 30 20 CHED C=CCC[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 425467797 FJACWCCSAITHRS-USXIJHARSA-N 297.402 3.685 30 20 CHED C=CCCSCCCc1nc(-c2ccccc2)no1 190954336 KTAIAHNASUGYPH-UHFFFAOYSA-N 274.389 3.979 30 20 CHED C[C@H](NCCNC1CCCCCC1)c1cccc(C#N)c1 423275251 LJSRNQYCMZWJEK-HNNXBMFYSA-N 285.435 3.521 30 20 CHED N#Cc1ccc(OC[C@H]2CCC3(CCCCC3)O2)c(F)c1 228023155 ZZGJJJDNTIDULZ-CQSZACIVSA-N 289.350 3.958 30 20 CHED CN(Cc1ccc(Cl)s1)C(=O)c1cc(C#N)cs1 336328619 GOHSHJMZFKYBJI-UHFFFAOYSA-N 296.804 3.607 30 20 CHED C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H]1C 335584597 ZZOLTGPNYBUGGN-QWRGUYRKSA-N 291.782 3.668 30 20 CHED C=C(C)CCN(C)Cc1cc(OC)ccc1Br 510784970 XPENTQYOEBPXOB-UHFFFAOYSA-N 298.224 3.856 30 20 CHED CC(C)C(C)(C)CNc1nccc(C#N)c1Cl 232529694 VTVBEPQBBUUZTE-UHFFFAOYSA-N 251.761 3.701 30 20 CHED Cc1c2c(nc3ccc(C#N)cc13)CCO[C@@H]2C(F)(F)F 334600439 YBCUMVVXYAMGPB-AWEZNQCLSA-N 292.260 3.591 30 20 CHED COc1cnc(N=C(O)c2csc(C(C)(C)C)n2)s1 331356613 SDBFFVNPIOVAFS-UHFFFAOYSA-N 297.405 3.542 30 20 CHED N#Cc1ccncc1N1CC=C(c2ccccc2Cl)CC1 91681753 LKJOFSPKDXNHPZ-UHFFFAOYSA-N 295.773 3.900 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NCC1(CC#N)CC1 619535327 NLXPOTYBKMVDFU-BBRMVZONSA-N 254.377 3.593 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc3oc(C(F)(F)F)nc3c2)C1 334999941 JXVSMVUNTQXKAI-IUCAKERBSA-N 295.264 3.951 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2nc(C)sc2c1 337093838 OCDMGMWWIGCMPF-GFCCVEGCSA-N 274.389 3.689 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCc1cccs1 425134848 VGFBZTJNCSHQSY-ZDUSSCGKSA-N 298.411 3.772 30 20 CHED C=CCOc1cccc(CNCc2cc(C)nc(C)c2)c1 421383256 NUMQEBUOVCQPDX-UHFFFAOYSA-N 282.387 3.553 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(F)c(C#N)c2)C1 336069890 NLEKEPDMVKQPMY-UGSOOPFHSA-N 295.361 3.675 30 20 CHED N#Cc1ccc(CNC[C@H]2CCCCC2(F)F)c(F)c1 295084106 IQASTCKKCPLMOL-CYBMUJFWSA-N 282.309 3.612 30 20 CHED CCN(Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)C(C)C 92590260 YBMYVKQRJGGPFB-CABCVRRESA-N 274.408 3.844 30 20 CHED Cc1cc(C)c(C(=O)N(C)Cc2ccc(C#N)cc2)c(C)c1 90163321 TXKPJTUKYWNLOQ-UHFFFAOYSA-N 292.382 3.756 30 20 CHED C=C(C)CN1CCC(N[C@@H]2C[C@@H](C)CC[C@@H]2CC)CC1 430722989 RHYZWZKCYUCZGW-XYJFISCASA-N 278.484 3.831 30 20 CHED CCC1CCC(/N=C(/O)N[C@H]2CCOC3(CCC3)C2)CC1 330204326 CRANQZVSEXKGSB-NRXISQOPSA-N 294.439 3.561 30 20 CHED CCc1nc(C)c(/C(O)=N/[C@@H]2CCO[C@@H](C(C)C)C2)s1 330621597 BPAXSCRQSYQXKG-VXGBXAGGSA-N 296.436 3.522 30 20 CHED CCOCc1cccc(N=C(O)N[C@H]2CC[C@H](C)C2)c1 331290501 JUSKTFMKFIASRQ-WFASDCNBSA-N 276.380 3.547 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(-c2cnco2)cc1 336462069 WJWIQFSIUXCIRB-HNNXBMFYSA-N 282.343 3.522 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ncc(C(C)(C)C)s1 437867321 JRBJCCDIUYQUMZ-OAHLLOKOSA-N 296.436 3.608 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)C1CCCCC1 436306698 IXKWBDZHTOEXHG-BBWFWOEESA-N 265.441 3.916 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCC1(O)CCCCC1 94594444 RUMUXKVSDOYUAG-UHFFFAOYSA-N 298.308 3.684 30 20 CHED CSc1cc(NC(=O)C2(C#N)CCC2)ccc1Cl 335657883 UGUBWTORWIFGNR-UHFFFAOYSA-N 280.780 3.694 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCC1CC1 342489023 MTXJHMQQVKWWES-UHFFFAOYSA-N 289.423 3.559 30 20 CHED C=C[C@](C)(CC)C(=O)NCCc1ccc(OC(C)C)cc1 526949801 MJVGTTQHJVOQBY-GOSISDBHSA-N 289.419 3.735 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)cc1 521269586 HGAGYYOYNHLOLH-JSGCOSHPSA-N 256.349 3.713 30 20 CHED C=CCOc1ccc(C(=O)N(CCCC)C2CC2)cc1 342793042 QBEWUORJGNLNKR-UHFFFAOYSA-N 273.376 3.656 30 20 CHED C=CCOc1cccc(CN2CCC[C@H](CSC)C2)c1 430208605 UKJYYYWXZYVSKK-INIZCTEOSA-N 291.460 3.826 30 20 CHED CCc1cnc(CSc2ccc(C#N)cc2F)o1 525200479 CYDRRXKEJIOVMB-UHFFFAOYSA-N 262.309 3.540 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CNc2ncc(C#N)cc2Cl)o1 524165936 GUMKLPBRNKHXRL-BXKDBHETSA-N 287.750 3.935 30 20 CHED CCOc1ccccc1[C@H](CC)NCC1(CC#N)CC1 602803322 VZCWONHOPCMAMF-HNNXBMFYSA-N 272.392 3.820 30 20 CHED CCCc1ccc(C(=O)NCC2CCC(C#N)CC2)s1 601552107 UUKRUUYXDKOPGP-UHFFFAOYSA-N 290.432 3.760 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(-c2ncco2)c1C 529420706 ZBBGAVKKXUGBPS-UHFFFAOYSA-N 297.358 3.919 30 20 CHED C[C@@H](NCc1ccsc1)c1ccc(C#N)c(F)c1 346147894 CCPBBWJOJBZAES-SNVBAGLBSA-N 260.337 3.610 30 20 CHED Cc1ncc(CN(Cc2ccc(C#N)cc2)CC(C)C)s1 347274041 ZDADRYKOXLJLPU-UHFFFAOYSA-N 299.443 3.981 30 20 CHED CC[C@H](CO)N(CCCC(C)(C)C#N)Cc1ccccc1 342634130 OPNLXJRWSFNWME-QGZVFWFLSA-N 288.435 3.589 30 20 CHED O=C(/C=C\c1cccs1)c1ccc(N2CCOC2=O)cc1 254972122 KKODIFWBSBUFBO-FPLPWBNLSA-N 299.351 3.601 30 20 CHED CC(C)(C#N)c1ccc(Nc2ncnc3c2CCC3)cc1 609111405 GNFVWZBWYKSRPR-UHFFFAOYSA-N 278.359 3.510 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1CCSc2ccccc21 341654758 RFALCRLDBOXAMR-GXTWGEPZSA-N 275.417 3.737 30 20 CHED CCSc1ccc([C@@H](C)N=c2cc[nH]c(C#N)c2)cc1 341949893 XBTLHTJAPVFDNR-GFCCVEGCSA-N 283.400 3.660 30 20 CHED C=CCCCCCN(C)C(=O)CCC(=O)c1cccs1 606816522 CJHLRPBLOKRXPH-UHFFFAOYSA-N 293.432 3.916 30 20 CHED CCc1nn(C)cc1/C=C1/C(=O)c2cccc(C)c2[C@H]1C 254990555 JUWMAGSNUQLLFS-DGGAMASNSA-N 280.371 3.674 30 20 CHED C/C(=C/C(=O)OCCCC#N)c1ccccc1OC(F)F 255571384 OKQHTYSLAWPWSH-KHPPLWFESA-N 295.285 3.538 30 20 CHED Cc1ccc(NC[C@@H](C)CCC#N)cc1OCC(F)F 602489674 DELSJVKJRPIVSV-NSHDSACASA-N 282.334 3.991 30 20 CHED CC[C@@H](N[C@H](CC)C1CCOCC1)c1ccc(C#N)cc1 447527824 GBEIZDSJBVYDDD-QZTJIDSGSA-N 286.419 3.804 30 20 CHED N#Cc1ccc(NCCc2ccc3[nH]ccc3c2)cc1 440555408 CBLFUHCOVNNWJS-UHFFFAOYSA-N 261.328 3.694 30 20 CHED CC(C)N(CC#Cc1ccc(Cl)cc1)Cc1ccccn1 530939002 IIMWWUQZVNAQNO-UHFFFAOYSA-N 298.817 3.997 30 20 CHED Cc1c(C#N)cccc1NCc1cccc2cc[nH]c12 354778997 ZXXIIWNQYGPKQR-UHFFFAOYSA-N 261.328 3.960 30 20 CHED CC(C)Sc1cccc(Cl)c1CNCCC#N 355141840 XKTGBTDTXAHRNX-UHFFFAOYSA-N 268.813 3.844 30 20 CHED C[C@H](F)CCN(CCC(F)(F)F)CC(F)(F)F 352411984 ATNRHDIZLVJYKU-ZETCQYMHSA-N 269.204 3.551 30 20 CHED C=CCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 265734647 AOIFKRYVEVEOBQ-UHFFFAOYSA-N 277.795 3.811 30 20 CHED C[C@H](CN(C)C(=O)c1ccc(C#N)cc1)C1CCCCC1 530043411 YFKWLCUJMWKGKD-CQSZACIVSA-N 284.403 3.847 30 20 CHED N#Cc1ccc(CNC[C@H]2CCC[C@H]2c2ccccc2)o1 449402427 REPPLXJWHBTFJM-QAPCUYQASA-N 280.371 3.825 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)C[C@@H]1C=CCCC1 354087524 BQZQGLNBAKEZST-CYBMUJFWSA-N 283.375 3.675 30 20 CHED CC1(C)CCCN(Cc2cc(-c3ccccc3)no2)[C@H]1C#N 444731341 OQOWJFCAYNVKPW-KRWDZBQOSA-N 295.386 3.856 30 20 CHED CCN(Cc1ccc(Cl)cc1)C(=O)C1(C#N)CC(C)C1 532320881 AEJYBJJVXCJZMX-UHFFFAOYSA-N 290.794 3.628 30 20 CHED CCN(CCCSCC#N)Cc1ccc(Cl)cc1 266704523 GCHMVAIHKXCANF-UHFFFAOYSA-N 282.840 3.809 30 20 CHED C=CC[C@H](C)NC(=O)N(C)Cc1c(F)cccc1Cl 265344119 CNBZIMWXUCDRSU-JTQLQIEISA-N 284.762 3.585 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3cc(C)ccc3[nH]2)C1 617786972 DXLFTFWNPDWASB-AWEZNQCLSA-N 282.387 3.905 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)NCC(C)(C)CCC#N)[C@@H]1C 355826739 DMLHELUNBDPNMG-RBSFLKMASA-N 293.455 3.688 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ncc(-c3ccccc3F)o2)C1 612166860 SEYZVDSTGVQJAJ-KRWDZBQOSA-N 299.349 3.606 30 20 CHED N#Cc1cnc(NCCCc2cccs2)c(Cl)c1 539888448 KTPWXGNFGRURCZ-UHFFFAOYSA-N 277.780 3.713 30 20 CHED COCCOc1ccc(C#N)cc1N[C@@H](C)CC1CCC1 612422733 PRLAJULHWQSTHJ-ZDUSSCGKSA-N 288.391 3.574 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1Cc2ccccc21 353808723 SEOMYLQUCLTQFE-MRXNPFEDSA-N 283.396 3.603 30 20 CHED CN(Cc1cc2cc(F)ccc2o1)CC(C)(C)C#N 354017992 NLMBHLIICFJWSA-UHFFFAOYSA-N 260.312 3.553 30 20 CHED CC[C@@H](C)CN(CC)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618849821 SCVXITCGGUZLNI-DYVFJYSZSA-N 299.418 3.623 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc(Cl)c1)OCC 535882571 KLUFAZWRTSPZSL-CYBMUJFWSA-N 267.756 3.650 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)c2ccc3ccccc3c2)C1 612246495 ZALHOHNUJFGOTR-SFHVURJKSA-N 278.355 3.606 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 263955431 YBKUPGKYOSUKRF-UHFFFAOYSA-N 297.742 3.678 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c(C)c1 618784489 BZXAFLWHRFNDHQ-SFHVURJKSA-N 290.366 3.592 30 20 CHED CCc1ccc(N/C(N)=N/[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 262904719 XZWBSSVAEHKZQY-DLBZAZTESA-N 297.377 3.671 30 20 CHED N#Cc1c(NC(=O)[C@H]2CC23CCC3)sc2c1CCCC2 610748577 KBYZLSDIRRMZEG-GFCCVEGCSA-N 286.400 3.627 30 20 CHED C[C@@H](C(=O)NCC(C)(C)CC#N)c1ccc(Cl)s1 457994038 NIOAAYNETJXEIC-SECBINFHSA-N 284.812 3.561 30 20 CHED CCc1ccc(CNC(=O)Nc2cccc(CC#N)c2)s1 455914294 FZAXEWFVHHGLGN-UHFFFAOYSA-N 299.399 3.698 30 20 CHED CCOc1ccc(Cl)c(NC(=O)CC(C)(C)C#N)c1 456047492 NQVRQIZGUXQCFC-UHFFFAOYSA-N 280.755 3.617 30 20 CHED CC(C)(C)CCCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618815558 IEDYQCXPBOVJQU-MRXNPFEDSA-N 299.418 3.671 30 20 CHED CC1(C)CCC[C@@H](CC(=O)NCCc2cccc(C#N)c2)C1 619608925 KYEOJIUTLIRVBS-INIZCTEOSA-N 298.430 3.823 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cnc3ccsc3c2)C1 617783265 WWNCYJUDNFVATF-GFCCVEGCSA-N 286.400 3.725 30 20 CHED C=C(C)CCNC(=O)N(C)Cc1ccc(F)c(Cl)c1 455330552 VIXSRNKHEGPEMO-UHFFFAOYSA-N 284.762 3.587 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 618735276 JZXADUCKDDAWDR-HBUWYVDXSA-N 296.414 3.878 30 20 CHED CCCc1cc(C(=O)Nc2ccc(C#N)cc2Cl)ccn1 361935765 SKTUHFQUDJBQDA-UHFFFAOYSA-N 299.761 3.811 30 20 CHED C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 610359909 PRBHDYQYKDOHHS-DZKIICNBSA-N 284.403 3.952 30 20 CHED C=C(C)CCNC(=O)[C@H](Cc1ccccc1)C(C)C 452715421 CRNLGTGWUCTXME-MRXNPFEDSA-N 259.393 3.584 30 20 CHED C[C@H](Nc1ccccc1C[S@](C)=O)c1cccc(C#N)c1 613040912 GCOHERNCEKZKEA-ZSEKCTLFSA-N 298.411 3.610 30 20 CHED CCC1(O)CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 611393366 HVOIDZALQAGAMM-CUYAVPTFSA-N 298.430 3.609 30 20 CHED CCC[C@H]1CCCC[C@@H]1NCCCSCC#N 547832863 FVYQKBCLAXHLDZ-KBPBESRZSA-N 254.443 3.582 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1cccc(CC)c1)OCC 457330605 RNPZAJRLEHLRJJ-MRXNPFEDSA-N 275.392 3.583 30 20 CHED N#CC[C@H](CC(=O)NC12CCC(CC1)C2)c1ccccc1 369102548 UQPHILKZJBIWHT-BFHRDPOASA-N 282.387 3.523 30 20 CHED C[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)[C@H]1c1ccccc1 270333884 MHKCDWJTRWLDLN-RDTXWAMCSA-N 290.366 3.586 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 452181523 ACAOWUDUJICNKD-LBPRGKRZSA-N 288.347 3.518 30 20 CHED C[C@H](NCCC(C)(C)C#N)c1ccc(F)cc1F 272016660 LUIOITWMHNZBBF-JTQLQIEISA-N 252.308 3.555 30 20 CHED N#CCc1cccc(-c2nc([C@@H]3CCCCS3)no2)c1 274113788 UMDJZZUWIJLTRV-ZDUSSCGKSA-N 285.372 3.761 30 20 CHED N#Cc1ccc(CCC(=O)Nc2cccc3cc[nH]c23)cc1 547816080 DHQGARNJWZPEBU-UHFFFAOYSA-N 289.338 3.611 30 20 CHED C=CCCN(C)C(=O)C(c1ccccc1)c1ccccc1 466628821 PVGWASLKDZNHOZ-UHFFFAOYSA-N 279.383 3.853 30 20 CHED C=C(C)[C@@H](Cc1nc(C2C(C)(C)C2(C)C)no1)OCC 624745710 MPGLMXMWLMEBEG-LLVKDONJSA-N 278.396 3.743 30 20 CHED C[C@H]1C[C@@H]1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 464400561 CDGUJDBBPNRTOI-VHSXEESVSA-N 276.405 3.902 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 466367576 WVSMSZNWJNJUAR-GFCCVEGCSA-N 298.789 3.975 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 281529709 RSZICGVXAFNJNZ-JCNLHEQBSA-N 287.378 3.956 30 20 CHED CCCC[C@H](CC)CC(=O)NCc1cc(C#N)ccc1F 464038737 JZCUFIOYLSKMNN-ZDUSSCGKSA-N 290.382 3.920 30 20 CHED Cc1cc(=N[C@H](C)c2c(F)cccc2Cl)cc(C#N)[nH]1 557628496 ATCMMCRKUVUYMR-SNVBAGLBSA-N 289.741 3.649 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OCCC)cc1C 460018604 IZYVLBWYYWFVGF-UHFFFAOYSA-N 261.365 3.935 30 20 CHED Cc1oc(C#N)cc1C(=O)N1C[C@H](C)Sc2ccccc21 281062025 YYOKGBDJLCUZIU-JTQLQIEISA-N 298.367 3.601 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc2[nH]c(C)cc2c1 466379297 XFKSKEVOMVGFKW-ZDUSSCGKSA-N 271.364 3.953 30 20 CHED C=CCCCC(=O)OCc1nc(-c2ccccn2)cs1 283366221 RWZWZWMWSNSRQR-UHFFFAOYSA-N 288.372 3.605 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(N2CCCCCC2)c1 465257913 UYXCKDDEGZFPPO-CQSZACIVSA-N 287.407 3.763 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(OC)cs2)n1 556360163 KDRKNIZKCVQBAF-UHFFFAOYSA-N 264.350 3.660 30 20 CHED C[C@H]1CCC[C@H]1NCc1ccc(Br)cc1C#N 383356390 QMRMCVRKOMPDNZ-IINYFYTJSA-N 293.208 3.599 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnn(CC(C)C)c1C1CC1 281024088 HABSDRWJNOIDJZ-CQSZACIVSA-N 289.423 3.501 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCCCCC1 460954961 YSOBMDPYRAHVLM-UHFFFAOYSA-N 276.428 3.577 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC=C(C)C1 460560666 ONXJNSCMQPNJLT-UHFFFAOYSA-N 288.439 3.599 30 20 CHED CCCCN(CC)C(=O)c1ccc(C(C)(C)C#N)cc1 474076353 SBGGJEYNGFESTL-UHFFFAOYSA-N 272.392 3.750 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](c2ccccc2F)C1 281388706 OXWUVJVJNSTOSY-KBPBESRZSA-N 290.382 3.679 30 20 CHED N#CCCCC(=O)Nc1cccc(-c2ccccc2)c1 558356924 NBCNVEQQQFMKCG-UHFFFAOYSA-N 264.328 3.986 30 20 CHED C=CCCC1(c2nc(Cc3ccccc3C)no2)CC1 551033340 ABUMPCPCUCMQFN-UHFFFAOYSA-N 268.360 3.967 30 20 CHED N#CCc1cccc(NC(=O)Cc2cccc(C3CC3)c2)c1 556828694 OLMQCFPNUOKYEM-UHFFFAOYSA-N 290.366 3.811 30 20 CHED Cc1ccccc1CC(=O)N[C@](C)(C#N)C1CCCCC1 557899100 HBZRISPROIKHDA-GOSISDBHSA-N 284.403 3.516 30 20 CHED C#CCCCCC(=O)OCc1cccc(-c2ccccn2)c1 800975176 UURPLAFSOPHGLK-UHFFFAOYSA-N 293.366 3.985 30 20 CHED N#CCCCc1nc(-c2c(Cl)cccc2Cl)no1 290973138 PACDPOUMKYWPIV-UHFFFAOYSA-N 282.130 3.890 30 20 CHED Cc1cc(CN2CC[C@H](c3ccc(F)cc3)C2)ccc1C#N 475565411 PLCRWVQVUODTTA-SFHVURJKSA-N 294.373 3.995 30 20 CHED N#Cc1ccc(=NCCCCc2ccc(Cl)s2)[nH]c1 553591401 YZZJYJKMVNSRDE-UHFFFAOYSA-N 291.807 3.525 30 20 CHED C/C=C/COC(=O)c1ccccc1-c1ccccc1C#N 804464662 QGHNEVPLZBFCNG-NSCUHMNNSA-N 277.323 3.958 30 20 CHED CC(C)SCC/N=C/c1cc(Cl)ccc1O 804599513 ZSUJLXOLSYMDGB-RIYZIHGNSA-N 257.786 3.606 30 20 CHED C[C@H]1CC[C@H](C=NNc2nc3cc(F)c(F)cc3[nH]2)C1 800810518 SQHVAFRKZGRXLG-IUCAKERBSA-N 278.306 3.675 30 20 CHED C[C@@H]1CC[C@@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1 479555820 PGKYXTZJCSTWIW-JHJVBQTASA-N 260.356 3.784 30 20 CHED C=CCOCCCN1CCC[C@@H]1c1cccc(C)c1 470721566 CPASNIHJTNGYSB-QGZVFWFLSA-N 259.393 3.725 30 20 CHED CC1(C)CCCCN(C(=O)CCc2ccc(C#N)cc2)C1 474111083 SLXURUJJZNIRTJ-UHFFFAOYSA-N 284.403 3.530 30 20 CHED C=C(C)CN(C)C(=O)[C@H](C)Sc1ccc(C)cc1 479213121 IPJWBHQGXCUKFT-ZDUSSCGKSA-N 263.406 3.510 30 20 CHED C[C@@H](CCC#N)N1CCO[C@H](c2ccc(F)cc2Cl)C1 299195985 DSTKQBWSGLJZAX-NHYWBVRUSA-N 296.773 3.545 30 20 CHED C#C[C@@H](C)NCc1ccc(OCc2ccccc2F)cc1 809683985 UNYZJPLXRICAIP-CQSZACIVSA-N 283.346 3.516 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cccc(O[C@H](C)CC)c1 567021223 OSBWSGPYSGOPCC-CHWSQXEVSA-N 276.380 3.950 30 20 CHED CN(CCc1ccccc1O)c1ccc(Cl)cc1C#N 569782914 HQOPLLTTXOEANS-UHFFFAOYSA-N 286.762 3.596 30 20 CHED C=CCCCCCCNC(=O)/C=C\c1ccc(O)cc1 805220294 LEXKFZHOKSCLRU-RAXLEYEMSA-N 273.376 3.658 30 20 CHED C=CC[C@H](CC)Nc1cc(C(F)(F)F)nc(C)n1 562247114 VAZKCSPPKNZFGS-VIFPVBQESA-N 259.275 3.570 30 20 CHED Cc1ccccc1/C=C1/C[C@H](C(=O)O)c2ccccc2C1=O 806560406 LLUAYRCWJOLPST-QXSWTLKVSA-N 292.334 3.833 30 20 CHED CC(C)(C#N)Cc1nc(CCC2CCCCC2)no1 567544408 GFRRCRATQKTQMJ-UHFFFAOYSA-N 261.369 3.675 30 20 CHED Fc1ccc(NN=C2CCc3ccccc32)c(F)c1F 814945137 NEFUUWULEULKFG-UHFFFAOYSA-N 276.261 3.866 30 20 CHED C=CCCCCOC(=O)c1cccc(NC(=O)CC)c1 811012917 BWOIZVCABWFRLA-UHFFFAOYSA-N 275.348 3.548 30 20 CHED Cc1ccnc(N2C[C@H](C)C[C@@H]2c2ccccc2)c1C#N 561446909 HIUAQVMBIJWJCB-CXAGYDPISA-N 277.371 3.849 30 20 CHED C=CCC[C@H](C(=O)NCC(C)(F)F)c1ccccc1 647259264 AMKCTSGJVSXBEJ-ZDUSSCGKSA-N 267.319 3.508 30 20 CHED C[C@H]1CN(c2ccc(Cl)cc2C#N)Cc2ccccc2O1 488783997 MRMXBDHMLZMYDO-LBPRGKRZSA-N 298.773 3.999 30 20 CHED Brc1cccc2c1OCCC2=NOC1CCC1 812237638 AIMHNZZROQCDDY-UHFFFAOYSA-N 296.164 3.505 30 20 CHED CC1(CNC(=O)c2cc(C#N)ccc2Cl)CCCCC1 560557807 ZJZBVPCDARJHQS-UHFFFAOYSA-N 290.794 3.912 30 20 CHED Cl/C=C\CON=C1CCSc2ccccc21 811669036 LVDSELAURCXXJV-AGFKBWSHSA-N 253.754 3.656 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C1(F)CCCCC1 810491287 QTEJTJBUVJCFLB-UHFFFAOYSA-N 282.403 3.837 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@H]1C 811926288 AEDGWMRJEOCRHI-CQSZACIVSA-N 252.402 3.707 30 20 CHED COc1ccc(-c2ccncc2)cc1C=NOC1CCC1 812235665 MOMKPNCILOKJKU-UHFFFAOYSA-N 282.343 3.660 30 20 CHED N#Cc1cccc(OCC[C@H]2CC2(Cl)Cl)c1 818054337 OXZFNFSTXYRKMK-JTQLQIEISA-N 256.132 3.521 30 20 CHED C#C[C@@H](Nc1ncnc(CC)c1F)c1ccc(Cl)cc1 811863217 SRJWPHCPVKAMFA-GFCCVEGCSA-N 289.741 3.618 30 20 CHED N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3cc(F)ccc31)CC2 571368766 VIPHHFVGEQCHIF-MOPGFXCFSA-N 292.357 3.962 30 20 CHED CC(=NNc1c(Cl)cccc1Cl)c1cc[nH]n1 814871465 BGLBDKWBQRLDSR-UHFFFAOYSA-N 269.135 3.553 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccc2oc(CC)nc2c1 488524578 NRFYFMTUOYJVOU-ZDUSSCGKSA-N 299.374 3.963 30 20 CHED C=CCC[C@H](C)N[C@@H]1C[C@H](OCC)[C@H]1Oc1ccccc1 482514383 UJVYBKMHJMUKCJ-RANZSIQMSA-N 289.419 3.556 30 20 CHED C=CCN(CC=C)C(=O)c1nc2ccccc2cc1Cl 575913069 QCTKLXSMTUDCKR-UHFFFAOYSA-N 286.762 3.702 30 20 CHED C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=NOC1CCCC1 811647004 TXKIFINHKKHOEG-GFCCVEGCSA-N 296.411 3.579 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCc1ccc(C)nc1 657882438 ZMKDGKKXBAKCEO-IRXDYDNUSA-N 258.409 3.657 30 20 CHED C=CCCCCCCCNC(=O)N1CCCO[C@@H](CC)C1 812493476 LDHWINBEYJSGTE-INIZCTEOSA-N 296.455 3.724 30 20 CHED C#C[C@@H](NC(=O)NC1(C)CCCC1)c1ccc(Cl)cc1 812028491 JVHUMUPNEIWTNH-CQSZACIVSA-N 290.794 3.646 30 20 CHED C=CCc1ccc(OCc2cc3n(n2)CCCC3)c(OC)c1 650309286 MKVJYTPMMAUGBQ-UHFFFAOYSA-N 298.386 3.536 30 20 CHED C=CCCC1(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)CC1 484137067 UPHXDYRUPHQGSM-RYUDHWBXSA-N 289.341 3.922 30 20 CHED C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1nccn1CC 658029989 UTTOCBCWADZKRH-RRFJBIMHSA-N 261.413 3.689 30 20 CHED C=CCOC(=O)CCc1cccc(OC2CCCC2)c1 727891381 UMDJEOKGVYNMPO-UHFFFAOYSA-N 274.360 3.670 30 20 CHED CC(C)(C=NNc1ccccc1)CNC(=O)OC(C)(C)C 495876690 OOFVCJUWERRIQJ-UHFFFAOYSA-N 291.395 3.635 30 20 CHED CC[C@](C)(C#N)c1nc([C@H]2CCc3ccccc3C2)no1 589132298 JWKIEXMZSDRKOB-WMLDXEAASA-N 281.359 3.533 30 20 CHED N#CC1(CCCCOC(=O)[C@H]2COc3ccccc32)CCC1 909245265 CCODOXNHBNUTAY-HNNXBMFYSA-N 299.370 3.570 30 20 CHED C=CCN(C(=O)N[C@@H](C)Cc1ccc(C)s1)C(C)C 739046866 XPFHIJLUMDKQEB-LBPRGKRZSA-N 280.437 3.594 30 20 CHED CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CC(C)(C)C#N 499230277 RUQRVYMGVRAEQQ-INIZCTEOSA-N 286.419 3.714 30 20 CHED N#CC1(CCCCOC(=O)CCC2CCOCC2)CCC1 909033848 JXRPVKVWQPHUEG-UHFFFAOYSA-N 293.407 3.601 30 20 CHED Cc1cc(C(=O)/C=C\c2cncn2C(C)C)cs1 901514363 GFUQTLTWGLXGQD-PLNGDYQASA-N 260.362 3.730 30 20 CHED C=CC[C@H](NC(=O)CCCc1ccccc1)c1ccncc1 734234559 QQRCFOICKLUUBR-SFHVURJKSA-N 294.398 3.838 30 20 CHED N#C[C@@]1(C(=O)OCc2ccc(Cl)cc2)CC12CCCC2 837901643 FHCYITBSWWGUJN-MRXNPFEDSA-N 289.762 3.857 30 20 CHED COc1cccc(/C=C\C(=O)c2cccc(C#N)c2)c1F 588619044 HKCDBCQEZMWWNS-HJWRWDBZSA-N 281.286 3.602 30 20 CHED CCc1nocc1/C=C\C(=O)c1cc(C)sc1C 834408644 MCIVEQKEESBKCX-WAYWQWQTSA-N 261.346 3.811 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 666260032 ZGWIRPYKDAYASK-DLBZAZTESA-N 271.404 3.832 30 20 CHED Clc1ccc2c(c1)C(=NNc1cccnn1)CCCC2 735974692 LLYCFGYVTFAEEI-UHFFFAOYSA-N 286.766 3.673 30 20 CHED COc1ccc(C(C)(C)C)cc1NC(=O)CCCC#N 589706722 ZGEOWNWYVQILNO-UHFFFAOYSA-N 274.364 3.625 30 20 CHED CC[C@@H]1CC[C@H](C(=O)N(O)Cc2cccc3ccccc23)O1 901370587 AMFNYRSSVWOFQI-NVXWUHKLSA-N 299.370 3.515 30 20 CHED CSCc1cccc(CNC(=O)CCCCCC#N)c1 588164840 SCYKXDNXRBEDOU-UHFFFAOYSA-N 290.432 3.640 30 20 CHED C=CCCSCCN[C@H]1CCCc2nc(C)sc21 595059893 RDLTUYRATUGUNF-LBPRGKRZSA-N 282.478 3.728 30 20 CHED C=CCOc1ccccc1CNC(=O)NCCCCCC 732237594 JAFSFFHPFZTIMO-UHFFFAOYSA-N 290.407 3.631 30 20 CHED N#C[C@@H](NC(=O)C=C1CCCC1)c1ccc(Cl)cc1 733258670 HYFLSWFYMBZVQS-CQSZACIVSA-N 274.751 3.521 30 20 CHED Cc1ccc(-c2ncc(C=NNc3ccccn3)s2)cc1 734294608 CDILOWNGSZYFKY-UHFFFAOYSA-N 294.383 3.960 30 20 CHED CC(C)(C)C#CC(=O)N1CCCCC[C@@H]1c1ccncc1 837345212 PJUPBMCDGPVSRF-MRXNPFEDSA-N 284.403 3.575 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1cc(C)cc(C)c1 730436406 KJNDQTVXMKZNPA-PLNGDYQASA-N 284.311 3.579 30 20 CHED CC[C@H]1CN(C(=O)CCCCCC#N)c2ccccc2O1 588933934 TXMLOYRKEHJMRE-AWEZNQCLSA-N 286.375 3.665 30 20 CHED C=CCN(Cc1ccccc1F)CC(F)(F)C(F)F 733897536 HKPUYDSZQCZMIZ-UHFFFAOYSA-N 279.252 3.714 30 20 CHED CC(=NNc1c(F)cccc1F)c1ccc(O)c(C)c1 735615478 PWVBNFCOZCNCSE-UHFFFAOYSA-N 276.286 3.815 30 20 CHED C#Cc1cccc(CN[C@@H](C)c2ccccc2N(C)C)c1 834903974 ULCKPYHYOQULRF-HNNXBMFYSA-N 278.399 3.585 30 20 CHED CSCC1(CCN[C@@H](C)c2cccc(C#N)c2)CC1 594708701 BTCWPJMIFZUIDW-ZDUSSCGKSA-N 274.433 3.742 30 20 CHED COC(=O)c1cccc(NN=C2CC[C@@H]2C2CCC2)c1F 835018999 KGQRKMWNZHBAOR-LLVKDONJSA-N 290.338 3.590 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1nc(CC)cs1 910736220 FWXZFJNXGMIVHW-LLVKDONJSA-N 278.421 3.651 30 20 CHED CC(=NNc1cccc2cnccc12)[C@H]1C[C@H]2CC[C@H]1O2 834953313 DRBKMSXYBFMTOZ-FRFSOERESA-N 281.359 3.590 30 20 CHED CC[C@@H](N[C@@H](C#N)c1ccccc1)c1c(C)noc1C 595429577 GLENCBSOVVXCAQ-CABCVRRESA-N 269.348 3.597 30 20 CHED COc1ccc(CN(C)[C@@H](C#N)c2ccccc2)cc1C 595304813 CSCQCHAJUUNINT-KRWDZBQOSA-N 280.371 3.700 30 20 CHED CC1(C)CCC[C@@H](OC(=O)CCCCCC#N)C1 836162235 RQJFVHRDVJADIG-CYBMUJFWSA-N 251.370 3.972 30 20 CHED C[C@@H]1CN(c2cnccc2C#N)CCc2ccc(Cl)cc21 593493517 UYJITJGPZGYTTC-GFCCVEGCSA-N 297.789 3.773 30 20 CHED C=C(Cl)COC(=O)c1csc(-c2ccc(C)o2)n1 915254894 LWEJVQQRJYQABC-UHFFFAOYSA-N 283.736 3.621 30 20 CHED CCCCc1ccc(C(=O)N(C2CC2)[C@@H](C)C#N)cc1 598128017 XDJAEINJFLUPOZ-ZDUSSCGKSA-N 270.376 3.546 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2scnc21 599043772 KYQPJCRZJLHYOA-CABCVRRESA-N 295.411 3.669 30 20 CHED Cc1ccc(C#N)nc1N[C@H]1CCO[C@@H](c2ccccc2)C1 596220139 WWKBQZOYXLHOBY-DOTOQJQBSA-N 293.370 3.594 30 20 CHED COc1cc(C)nc(NN=C2CC[C@H]3CCCC[C@H]3C2)n1 747634314 DDZHCDMYYGCPSL-OLZOCXBDSA-N 288.395 3.552 30 20 CHED CCOc1cccc(C(C)=NNc2ccccc2[N+](=O)[O-])c1 743526243 PIPAXQBTJRQMNP-UHFFFAOYSA-N 299.330 3.830 30 20 CHED C[C@@H]1CCC[C@H](C(=O)OCc2ccc(C#N)cc2F)C1 745159638 XPQKHNYMMKCIRR-YPMHNXCESA-N 275.323 3.567 30 20 CHED CC(C)(C)c1nnc(S[C@@H](C#N)c2ccccc2)o1 594886016 LBKLUYPOJYDLQW-NSHDSACASA-N 273.361 3.724 30 20 CHED C[C@H](CCc1cccc(F)c1)NCCc1ccc(C#N)cc1 595056792 WJWPWKFZPNTKRP-OAHLLOKOSA-N 296.389 3.851 30 20 CHED CC1(C)C[C@@]1(C)NC(=O)N[C@H](CCC#N)c1ccccc1 596504916 QSJMZYSERAIDIB-RHSMWYFYSA-N 285.391 3.519 30 20 CHED COCc1csc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 594939512 RKCVPJBEVSOPLN-QGZVFWFLSA-N 298.411 3.543 30 20 CHED CC(C)CCCCC(=O)N[C@H]1CCc2cc(C#N)ccc21 590911426 VGEBTKPZIBCWAL-KRWDZBQOSA-N 284.403 3.878 30 20 CHED C#C[C@H](OC(=O)[C@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 842409740 RUOOAYKNIGLBIU-XDTLVQLUSA-N 282.261 3.579 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(-c3cccs3)on2)C1 595610208 TVVVCJYLSUXDBV-GFCCVEGCSA-N 287.388 3.529 30 20 CHED N#Cc1ccc(F)c(CN(CCc2ccccc2)C2CC2)c1 746119524 YHURKXSNAYMTTL-UHFFFAOYSA-N 294.373 3.904 30 20 CHED C[C@H]1/C(=C\c2ccnn2CC2CC2)C(=O)c2ccccc21 849249793 LVCNZYRBVPNRLQ-YXHQGMJNSA-N 278.355 3.677 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C(\C)C(C)(C)C 742708287 SCQRMBOZXLSFQD-ZRDIBKRKSA-N 289.350 3.769 30 20 CHED C#CCCCCC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 841454352 YFUVXCRMGDXUEJ-HUUCEWRRSA-N 263.425 3.853 30 20 CHED CCCCCCCCCC(=O)N1C[C@H](C)OC[C@H]1C 914498419 ZNODZMGGZKNEIA-CABCVRRESA-N 269.429 3.763 30 20 CHED COc1ccc(CNCC[C@@H]2CCCC[C@H]2C)cc1C#N 742371087 HPEBTIGUNRDXPP-ZBFHGGJFSA-N 286.419 3.873 30 20 CHED CCC1(CC)CCCN(CCCC2(C#N)CCOCC2)C1 595753460 UQRRUCJNFLMDMZ-UHFFFAOYSA-N 292.467 3.989 30 20 CHED CC(CCCCC#N)=NNc1cc(F)cc(F)c1 841621262 YOGBVGGUNCOHCP-UHFFFAOYSA-N 251.280 3.837 30 20 CHED C[C@H](N[C@@H]1CCN(C2CCCCC2)C1)c1cccc(C#N)c1 595080777 NYVVTSLIMVCUJT-MAUKXSAKSA-N 297.446 3.616 30 20 CHED C=CC1CCN(C(=S)Nc2cccc(OCC)c2)CC1 742997436 IEHCIMSITDSADT-UHFFFAOYSA-N 290.432 3.680 30 20 CHED C=C(C)CNC(=S)N1CC[C@H](c2ccccc2)[C@@H](C)C1 741861238 DAZRHMCAHYCOSQ-HOCLYGCPSA-N 288.460 3.563 30 20 CHED C[C@H](C=NOCc1cccnc1)CCc1ccccc1 746587937 UNFYTLCWWVGVCT-HNNXBMFYSA-N 268.360 3.853 30 20 CHED CC1(C)CC(=O)C(=CNc2cccc3c2CCCC3)C(=O)C1 920976921 RXRZJTUSEAIKAM-UHFFFAOYSA-N 297.398 3.819 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1c(C3CC3)cnn1C)C2=O 849249463 HRPFHUOBEUGTIG-OQLLNIDSSA-N 292.382 3.737 30 20 CHED C[C@@H](NN=Cc1cccc2c1OCCCO2)c1ccccc1 920382369 GJLQBAGVEXDSCQ-CQSZACIVSA-N 296.370 3.533 30 20 CHED COC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(F)c(F)c1 925684729 COTDIYMDRZJZPY-XHDPSFHLSA-N 296.361 3.570 30 20 CHED C[C@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)c1ccncc1 759307084 SBQHXVCMBKMSPD-ZIAGYGMSSA-N 294.354 3.751 30 20 CHED CCCCCCCCOCC(=O)Nc1ccc(N)c(C)c1 854012545 QYMZMHYCMCKBHX-UHFFFAOYSA-N 292.423 3.893 30 20 CHED Cc1cccc(C)c1C=NNCCCOc1ccccc1 755697807 ZYQPSULBSRGLLF-UHFFFAOYSA-N 282.387 3.696 30 20 CHED C#Cc1cccc(NC(=O)NC[C@H](SC)C(C)(C)C)c1 752467646 OHUXVEGKOWAMHT-AWEZNQCLSA-N 290.432 3.567 30 20 CHED Cc1n[nH]c(C)c1/C=C1/COc2ccc(C(C)C)cc2C1=O 920068883 SKJXHSDAXASRBB-ZSOIEALJSA-N 296.370 3.809 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1cnc(C(C)(C)C)s1 851210958 WRRVFGCRWTYZOS-JTQLQIEISA-N 294.420 3.926 30 20 CHED C=C[C@H](CC(=O)OCc1ccn(C(C)C)n1)c1ccccc1 758908765 QWPWKBTUTSVQOJ-OAHLLOKOSA-N 298.386 3.867 30 20 CHED C=CCC1(C(=O)OCc2cccnc2C(F)(F)F)CCC1 859652698 DDHLQKCJSJWHML-UHFFFAOYSA-N 299.292 3.890 30 20 CHED C#CCCCCNC(=O)N(CCC)Cc1ccc(C)cc1 758889139 OOHYRLVCRIQKJF-UHFFFAOYSA-N 286.419 3.720 30 20 CHED C#C[C@@](C)(CC)NCc1csc(Cc2ccccc2)n1 852099257 IESLBKSRADEVND-KRWDZBQOSA-N 284.428 3.625 30 20 CHED CC[C@H]1CCCC(=NNc2nc(O)c3ccccc3n2)C1 757584494 YCVBMTVZVFQOHJ-NSHDSACASA-N 284.363 3.704 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCc1ccc(F)c(C#N)c1 758952949 KVBPXYRYQJYZGT-GFCCVEGCSA-N 289.350 3.957 30 20 CHED CC(C)Oc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 924709505 UMLHDUOVZJVGBA-AWEZNQCLSA-N 274.408 3.892 30 20 CHED C=C[C@H](C)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 757011819 CWLLHLJOOVHEOK-NSHDSACASA-N 256.349 3.596 30 20 CHED N#CC1(CCCCN2CCO[C@H](c3ccccc3)C2)CCC1 929254583 PTMGAKSYILZUGJ-SFHVURJKSA-N 298.430 3.924 30 20 CHED CC[C@H](/N=C\c1ccccc1O)c1ccc(OC)cc1 920947652 PGSQZWLMLISCTA-JIHKLPAASA-N 269.344 3.971 30 20 CHED C#CCCCCNC(=O)N[C@H](CC)c1cccc(Cl)c1 758691582 RVAFEGKCXXENRS-OAHLLOKOSA-N 292.810 3.894 30 20 CHED C=CC(C)(C)CCOC(=O)C[C@H](C)c1c(C)noc1C 851299400 KEEMJXFBFLLAQP-NSHDSACASA-N 279.380 3.931 30 20 CHED CC(C)(C)C=NNc1nc(-c2ccc(Cl)cc2)no1 755722212 NIFRWOCOYDTVSY-UHFFFAOYSA-N 278.743 3.834 30 20 CHED C#CC[C@H](Nc1nc(C2CC2)ns1)c1ccccc1 756956999 IRRAHMZEBKUXGA-ZDUSSCGKSA-N 269.373 3.592 30 20 CHED Cc1oc2ccccc2c1C=NOCc1cccnc1 758120655 UPLWYUKCWBHWNU-UHFFFAOYSA-N 266.300 3.687 30 20 CHED N#Cc1ccc(NC(=S)NCC2=CCCC2)cc1Cl 853028746 GCQXDQPKRDJHCR-UHFFFAOYSA-N 291.807 3.608 30 20 CHED CC[C@@H](C)NN=Cc1ccc(Br)c(Cl)c1 754977910 BKMMAXZWBXNEPP-MRVPVSSYSA-N 289.604 3.825 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1nc(C2CCOCC2)cs1 935961627 GDSHHCMZWLUKAL-NSHDSACASA-N 294.420 3.578 30 20 CHED C[C@H](O)C[C@H]1CCCCCN1CCCCC1(C#N)CCC1 930455917 RTLZNGSUTMWAHY-DLBZAZTESA-N 292.467 3.866 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@@H](C)c1ccco1 860870050 KDBWBYRJXFPESW-VXGBXAGGSA-N 263.337 3.645 30 20 CHED C[C@@H]1CCC(=NNc2nc3ccccc3[nH]2)C[C@H]1C 767357627 IJOUSULPKYCPGW-GHMZBOCLSA-N 256.353 3.787 30 20 CHED C#Cc1ccc(NC(=O)N2CC[C@@H](C(C)(C)C)C2)cc1 934927941 PJKZLNIPIMOEEX-CQSZACIVSA-N 270.376 3.568 30 20 CHED Cn1ncc(C2CC2)c1/C=C1/CCc2c(F)cccc2C1=O 865227281 NRRRPPPRIAGXFL-XFXZXTDPSA-N 296.345 3.649 30 20 CHED CCO[C@H]1C[C@H](NCCCCC2(C#N)CCC2)C12CCC2 930628242 MKAYAMAYWOKAHV-HOTGVXAUSA-N 290.451 3.788 30 20 CHED Cc1ccsc1C=NNCCCOCc1ccccc1 863178524 UORDHMHGFCJXKD-UHFFFAOYSA-N 288.416 3.587 30 20 CHED CC(C)(CC#N)CNc1ccc([N+](=O)[O-])cc1C(F)F 865870391 UUBVXJWKOSDAJI-UHFFFAOYSA-N 283.278 3.884 30 20 CHED C[C@@H]1C[C@H](CC(=O)[C@H](C#N)c2ccncn2)CC(C)(C)C1 760351222 DGTRLQVNSIPHQB-MGPQQGTHSA-N 285.391 3.505 30 20 CHED C=CCCC(=O)COC(=O)[C@H](C)c1cccc(Cl)c1 761405554 FKDZBAGOBZTFIL-LLVKDONJSA-N 280.751 3.522 30 20 CHED CC(C)[C@H]1CC(=NOC[C@H]2CCOC2)c2ccccc21 766478752 VESQSNYVSPFYRC-XJKSGUPXSA-N 273.376 3.587 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCC(C2CC2)CC1 930018621 PJDWLCAODMBSNJ-UHFFFAOYSA-N 283.375 3.521 30 20 CHED Cc1cc(C=NNc2c(F)cccc2Cl)c(C)[nH]1 769826657 HVGNAPFONVRUEA-UHFFFAOYSA-N 265.719 3.870 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCCc2nc(C)sc21 932551065 DWYTYXKIIWXODV-JSGCOSHPSA-N 292.448 3.890 30 20 CHED Cc1cccc(-c2ccc(NC[C@H]3CCCO3)nc2)c1C#N 863690023 IPXMQSQTKALJGU-OAHLLOKOSA-N 293.370 3.520 30 20 CHED CCN(CC)c1ccc(CN(CCC#N)C(C)C)cc1F 768765907 VWIVLPBQMZYIGP-UHFFFAOYSA-N 291.414 3.796 30 20 CHED CCC(C[C@@H](C)CC)=NNC(=S)Nc1ccccn1 767805587 GAVFPBQFCDDCFL-NSHDSACASA-N 278.425 3.570 30 20 CHED N#Cc1ccc(CNCc2cnc(C3CCCC3)s2)cc1 767917994 UZUPXCQOGMCTJP-UHFFFAOYSA-N 297.427 3.962 30 20 CHED Cc1cccnc1NN=CCc1ccc(F)cc1Cl 766479478 ZKKQOJPIVMMACD-UHFFFAOYSA-N 277.730 3.823 30 20 CHED N#Cc1c(F)ccc(/C=C2\Oc3ccccc3C2=O)c1Cl 761479829 ODIKCWFWUGJDBD-AUWJEWJLSA-N 299.688 3.967 30 20 CHED C#CCCCC(=O)N[C@H](CC(F)(F)F)c1ccccc1C 767325589 AVEVGXWESJAFQS-CQSZACIVSA-N 297.320 3.908 30 20 CHED CCC1(CC)C(=NNc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC 762606149 WGXMMVVWSSNJHI-AWEZNQCLSA-N 291.351 3.588 30 20 CHED CC(=O)[C@@](C#N)(CCN(C)c1ccccc1)c1ccccc1 877935488 RYBGCAFIAYVOLX-IBGZPJMESA-N 292.382 3.563 30 20 CHED CC(C)CC(=NNc1cccc(C(=O)O)c1)c1ccccn1 760217591 XHDGACPNZUIUMD-UHFFFAOYSA-N 297.358 3.642 30 20 CHED Cc1cc(CNc2ccc(OC(C)C)c(C#N)c2)sn1 877176695 PFCWFLQCNZFCTH-UHFFFAOYSA-N 287.388 3.723 30 20 CHED O=C(/C=C\c1cccc(OC(F)(F)F)c1)c1cscn1 776192237 MYYTVPQQWRRDRX-PLNGDYQASA-N 299.273 3.938 30 20 CHED N#CC1(CN[C@@H](c2cccs2)C2CCCC2)CC1 776007389 KFHDBKHRRPCWJF-CQSZACIVSA-N 260.406 3.873 30 20 CHED C=CC[C@H](C(=O)O[C@@H](C)c1ncc(C)o1)c1ccccc1 778419209 QUFKBORXLAEGJI-ZFWWWQNUSA-N 285.343 3.947 30 20 CHED C[C@@H]1CCC[C@@H](COC(=O)c2c(F)cc(C#N)cc2F)C1 770995356 ATBOUNFKNURSSZ-GHMZBOCLSA-N 293.313 3.820 30 20 CHED CCOCCON=C1CCC[C@@H]1c1ccc(C)cc1 774423326 UCXBYROIHXEDBU-OAHLLOKOSA-N 261.365 3.672 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](c2c(F)cccc2F)C1 879510970 BJIOHRNVDLOJAE-LBPRGKRZSA-N 293.357 3.883 30 20 CHED CCOCCON=C(C)c1ccc(-c2ccncc2)cc1 774418593 XJHBUBWPKKNCFZ-UHFFFAOYSA-N 284.359 3.526 30 20 CHED C#CCCCCCCN1CCC[C@@H]1c1cc(C)on1 876590910 AHHXDZMITUROBO-MRXNPFEDSA-N 260.381 3.704 30 20 CHED C=C(C)CNC(=O)/C=C/c1ccc2cc(OC)ccc2c1 777834098 RDYATWSCWDTXOU-WEVVVXLNSA-N 281.355 3.554 30 20 CHED CCOCCON=Cc1sc2ccccc2c1Cl 774438163 QBFARBJEOCNNEB-UHFFFAOYSA-N 283.780 3.942 30 20 CHED C=C1CCC(C(=O)OCc2cccnc2Cl)CC1 885649879 MYBOYZCVLWJXGF-UHFFFAOYSA-N 265.740 3.525 30 20 CHED CC(CCn1cccn1)=NNc1nc2ccccc2cc1C 776785533 VYYUZYORLBKFQU-UHFFFAOYSA-N 293.374 3.618 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccc(C#N)c(F)c1 776765776 JHHVOPUTIDOBPC-UHFFFAOYSA-N 289.260 3.812 30 20 CHED C=CCCC(=NNc1ccc2[nH]ncc2c1)C1CC1 779811066 CEFHKIGKKISNME-UHFFFAOYSA-N 254.337 3.707 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NOC1CCOCC1 785460432 CKINAOPFJPDDDM-UHFFFAOYSA-N 287.281 3.543 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)CC(C)(C)OC)c1cccs1 1123009918 NDOUHGSCNRYHDY-SMDDNHRTSA-N 295.404 3.697 30 20 CHED C=CCC[C@@H](NC(=O)N1CC[C@@H](CF)C1)c1ccccc1 883524720 HHJXAWSBDHCHEG-GOEBONIOSA-N 290.382 3.695 30 20 CHED CC(C)Cc1ccc(C=NN[C@H](CO)c2ccccc2)cc1 788457854 PCWWJRCHTWLOLN-LJQANCHMSA-N 296.414 3.542 30 20 CHED CCCCCCCCN(C)C1CCC(NC(C)=O)CC1 784546507 XVBDTEHEZVPFJH-UHFFFAOYSA-N 282.472 3.726 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@H](CC=C)c1ccncc1 1123503823 ATEABGLJWBGHGI-IAGOWNOFSA-N 299.418 3.839 30 20 CHED C=C[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)c1ccccc1 1123634246 IBNGTRVFSCBUKK-IRXDYDNUSA-N 282.387 3.545 30 20 CHED CC(C)[C@H](F)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 784121597 JOSXUEMQVUVRRO-NSHDSACASA-N 288.244 3.510 30 20 CHED C#CCC1(c2nc(Cc3cccs3)no2)CCCCC1 788095997 JWDOXEOHFXTYNI-UHFFFAOYSA-N 286.400 3.947 30 20 CHED N#CC1(COC(=O)[C@@H]2CCCc3sccc32)CCCC1 780533122 NUDFQXOUYFOJJM-CYBMUJFWSA-N 289.400 3.795 30 20 CHED COc1ccc2oc(C(=O)O[C@@H]3CC[C@H](C#N)C3)c(C)c2c1 1122638992 CGNIEAGMTSGEAS-WCQYABFASA-N 299.326 3.599 30 20 CHED Cc1ccc2nc(/C=C3/Cc4c(C)cccc4C3=O)cn2c1 789143747 RNLRXTHEKISVGV-ZSOIEALJSA-N 288.350 3.774 30 20 CHED N#Cc1ccc(COC(=O)[C@H]2CC23CCCC3)c(Cl)c1 784230373 LMABDQVRNCOEAZ-CYBMUJFWSA-N 289.762 3.835 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=S)Nc1ccccc1 782452151 ZOWZYAHXFIIYIO-MRXNPFEDSA-N 293.395 3.532 30 20 CHED CC(=NN[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788440592 JDYQCAVHVBWJBT-GRYCIOLGSA-N 298.839 3.650 30 20 CHED CC(=NNc1ncncc1F)c1cc2ccc(C)cc2o1 793214762 PALFVRWLEBZSQZ-UHFFFAOYSA-N 284.294 3.506 30 20 CHED Cc1ccc(C=NN[C@H](C)C(C)(C)C)c(-c2cnn(C)c2)c1 793113417 DNXXMNMVXALMAY-CQSZACIVSA-N 298.434 3.754 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCc2ccsc2)cc1 796731044 IHJBDQUFKJFFEU-UHFFFAOYSA-N 285.368 3.906 30 20 CHED CSc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)s1 798232322 RJDACOYJILLFNC-KPKJPENVSA-N 290.365 3.792 30 20 CHED C=CCCC(=O)OCc1cccc(OCC(C)C)c1 793405078 MKKFJCOYWRBGHU-UHFFFAOYSA-N 262.349 3.731 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](F)CC1CCCCC1 793027328 HJPGKAIYZDRLAL-AWEZNQCLSA-N 255.377 3.720 30 20 CHED Cc1ccc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2F)cc1 1206055538 ISBPZJDYSYWAFT-GFCCVEGCSA-N 297.333 3.889 30 20 CHED C[C@@H](C=NNc1ncccc1F)CCc1ccccc1 794986311 ZTMFNNYVMNUXOG-CYBMUJFWSA-N 271.339 3.887 30 20 CHED CC[C@H](C)NN=Cc1cc(Cl)ccc1OCC1CC1 797403698 VWDPRYBMWUWFDW-NSHDSACASA-N 280.799 3.851 30 20 CHED CC(=O)Nc1ccc(NCc2ccc(C#N)c(F)c2)cc1C 790522075 UZRQRHQWNMYZDA-UHFFFAOYSA-N 297.333 3.576 30 20 CHED C#CCCCCC(=O)OCc1cc(C)ccc1OC(F)F 795510120 GLMZGIJIYXIEIX-UHFFFAOYSA-N 296.313 3.833 30 20 CHED CCCCCCCCCN1CCC(c2nc[nH]n2)CC1 792240100 HITGGMAZIQRRQW-UHFFFAOYSA-N 278.444 3.735 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccc(C(=O)NC)cc1 793523443 IFEVTWSZHJYUBZ-OAHLLOKOSA-N 288.435 3.661 30 20 CHED COCC[C@@H]1CCCC1=NNc1c(C)cccc1F 799885938 QGLPUZFOXXZIBH-LBPRGKRZSA-N 264.344 3.739 30 20 CHED FC(F)(F)c1cccnc1NN=C1CCC12CCC2 799875152 OQMRWKLEISGULW-UHFFFAOYSA-N 269.270 3.832 30 20 CHED C[C@@H]1CCCC[C@H]1C=NNc1cccc(F)c1[N+](=O)[O-] 790311053 VXTBCJBKEPKGBP-MNOVXSKESA-N 279.315 3.958 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(C)cc1)C2 794960988 KHAVQTUMIXIFCI-NVNXTCNLSA-N 294.350 3.835 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1Nc1c(C#N)cccc1C#N 1307159236 VEKYPSIKRNKZQF-UONOGXRCSA-N 253.349 3.667 30 20 CHED N#CCN(C(=O)CC1CCCCCC1)C1CCCC1 135812797 RKHKJESDARKZNI-UHFFFAOYSA-N 262.397 3.642 30 20 CHED C[C@H]1CC[C@@H](C)C[C@H]1NCc1cccc(OCC#N)c1 1325117304 JRYOTIONACTLQS-JKIFEVAISA-N 272.392 3.503 30 20 CHED FC(F)CNN=Cc1ccc(-c2ccccc2)s1 1324393312 NWEDFACHXQLARI-UHFFFAOYSA-N 266.316 3.604 30 20 CHED C=CC1CCN(Cc2cc(Cl)ccc2OC)CC1 600679917 DDYJTKHXPXGXDH-UHFFFAOYSA-N 265.784 3.747 30 20 CHED CC(C)CC(C)(C)c1nnc(-c2cccc(C#N)c2)o1 1326306631 SACXAMAXAMFPGV-UHFFFAOYSA-N 269.348 3.932 30 20 CHED C[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 78833651 UHVOQTMMWWPRFK-MWLCHTKSSA-N 283.297 3.963 30 20 CHED COc1ccc(Cl)c(CNc2cccc(C#N)c2)c1 190315486 JCFDZVQJWYTJQF-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CCCCCCCCN1CCC2(CCOC2)CC1 761057691 FMXWTRMTPYICHG-UHFFFAOYSA-N 253.430 3.849 30 20 CHED CN(Cc1cc(F)cc(F)c1)c1nc(Cl)c(C#N)s1 1326442729 LCXBSGPBYDNPHC-UHFFFAOYSA-N 299.733 3.583 30 20 CHED C=C(Br)CN1Cc2ccccc2C2(CCC2)C1 1257432050 MDNSWCAKKZPXBF-UHFFFAOYSA-N 292.220 3.833 30 20 CHED CC[C@H](NC(=O)CCCCCC#N)c1ccc(F)cc1 1324916485 RKASKTQHRIPVIS-HNNXBMFYSA-N 276.355 3.867 30 20 CHED CCCCCCCCNCc1cccnc1N(C)C 1324105238 FQGGZWNZJGLEGT-UHFFFAOYSA-N 263.429 3.598 30 20 CHED Cc1ccnc(CSCCCC2(C#N)CCOCC2)c1 1339810700 MBAVZBFHWNEMSQ-UHFFFAOYSA-N 290.432 3.724 30 20 CHED C=C1CCC(C(=O)N=[S@](C)(=O)c2ccccc2F)CC1 1337528522 OUMSLBRLTVTLLV-HXUWFJFHSA-N 295.379 3.555 30 20 CHED CCC[C@H](C(=O)N(C)[C@@H](C)CC#N)c1ccc(Cl)cc1 1337807497 GLFHDYSTHWCJJR-WFASDCNBSA-N 292.810 3.984 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cncc(-c2ccccc2)c1 1339065912 FSIPXHYWPRLJED-KRWDZBQOSA-N 293.370 3.513 30 20 CHED CCc1nc2ccc(Nc3cccc(C#N)n3)cc2s1 1186821801 NHRIVGWVLQNGSG-UHFFFAOYSA-N 280.356 3.869 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)COCC1CCCCC1 1334317191 GAGRYEIZWJMURG-GJZGRUSLSA-N 266.429 3.501 30 20 CHED C=CCCCCCCNC(=O)c1cnoc1C(C)C 1347585066 SFUOOQUFPCVINP-UHFFFAOYSA-N 264.369 3.664 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 1347522092 MTSZLLRHEUBQRG-YJBOKZPZSA-N 296.414 3.694 30 20 CHED C[C@H](NCc1cc(C#N)ccn1)c1cccc2ccccc12 1192858435 KXJHENSXAJQJPG-AWEZNQCLSA-N 287.366 3.957 30 20 CHED Cc1ccc([C@@H]2C[C@H]2C(=O)O[C@H]2CC[C@H](C#N)C2)cc1C 1343387314 ZRGYSNLWGKPUQN-QSPRXWTASA-N 283.371 3.642 30 20 CHED C=C(C)Cn1c(N2CC[C@](C)(CC)C2)nnc1C(C)(F)F 1343374012 PNZLJJUQRVQKSY-AWEZNQCLSA-N 298.381 3.592 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)Cc1ccccc1CC#N 1344360751 FAAKZLXIAANIOH-YJBOKZPZSA-N 298.430 3.628 30 20 CHED CC[C@H](C#N)N(CC)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 1349906925 NJFGETSAQGXPJI-ZIAGYGMSSA-N 297.402 3.812 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)C2(C3CCCCC3)CC2)C1 1342998396 CIBAJIMAONZNEG-JSGCOSHPSA-N 261.365 3.582 30 20 CHED CCc1ccc(NC(=O)c2ccsc2C#N)cc1C 1356494867 UHLQNCCCOMUCFQ-UHFFFAOYSA-N 270.357 3.743 30 20 CHED CCC[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1351943104 KEUPZXNDXKOHGQ-QGZVFWFLSA-N 296.345 3.969 30 20 CHED Cc1cccc2c(C(=O)NCc3ccc(C#N)cc3)coc12 1435241677 NCSGQCKSIIPTFS-UHFFFAOYSA-N 290.322 3.543 30 20 CHED CCCCCCCCCCC(=O)N1CCC2(CC1)CNC2 1354191692 YKYLDFYSULLILT-UHFFFAOYSA-N 294.483 3.729 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1oc(CCC)nc1C 1353906134 SCGRUJKQTLUICA-ZDUSSCGKSA-N 276.380 3.506 30 20 CHED C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1ccoc1 1518102274 NMOAKMAPDNJYEA-ZFWWWQNUSA-N 283.327 3.971 30 20 CHED N#Cc1ccc(Cn2cnc(-c3ccccc3)c2)c(F)c1 1459264399 VGQBCIHDSBFQGB-UHFFFAOYSA-N 277.302 3.609 30 20 CHED N#Cc1cc(=N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)cc[nH]1 1458440180 WCOYPHAYKJNDKX-ZFWWWQNUSA-N 297.789 3.777 30 20 CHED N#Cc1sccc1C(=O)OCc1ccc(Cl)cc1 1524377313 VQOAPESDEPZMLC-UHFFFAOYSA-N 277.732 3.630 30 20 CHED Cc1sccc1C(=O)Nc1cc(C#N)c2ccccc2n1 1525651106 MVSQKFFZUBWCBU-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CC(=O)c1ccc(N(C)Cc2ccc(C#N)cc2C)cc1 1460698905 XSEWUVJWOXFDTO-UHFFFAOYSA-N 278.355 3.706 30 20 CHED C=CCN(CCOc1ccc(Br)cc1)C(C)C 917070827 GYDCHXPUCNEGGB-UHFFFAOYSA-N 298.224 3.724 30 20 CHED CC(C)(CCNC(=O)Nc1sccc1C#N)C1CC1 1476829503 YJPPSYGKRIJXBL-UHFFFAOYSA-N 277.393 3.568 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(C#N)c(F)cc1F 1544828852 KPHIJHMBUITBGD-PSLIRLAXSA-N 278.302 3.601 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1ccc(OC)c(C#N)c1 1624705176 ZORWZSVJKZOCGA-NSHDSACASA-N 274.364 3.578 30 20 CHED Cc1cccc(C[C@H](C)NCc2cc(C#N)ccc2F)c1 1621524197 CEKWKHOZCOARER-AWEZNQCLSA-N 282.362 3.727 30 20 CHED CC(C)(C)[C@@H]1CCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1620921991 NCYRYZDMOIIBAI-SJORKVTESA-N 298.430 3.796 30 20 CHED C=C(Cl)Cn1c(C)nnc1N(C)[C@@H](C)c1ccccc1 1722546882 ZPBUXMQVXSSICI-LBPRGKRZSA-N 290.798 3.536 30 20 CHED Cc1cc(N2C[C@@H](c3ccccc3C)C[C@H]2C)c(C#N)cn1 1559114530 WSCJYJYBMLBOPV-CVEARBPZSA-N 291.398 3.953 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 1562143794 QAACWCZDRZNUPU-KGLIPLIRSA-N 271.364 3.506 30 20 CHED Cc1cc(C)cc(CSc2nnc(C)c(C)c2C#N)c1 106105584 OVHGGAYFYSAZRS-UHFFFAOYSA-N 283.400 3.874 30 20 CHED CC[C@@H](NCc1ccc(F)cc1C#N)[C@H]1CC1(C)C 1643481856 PROVRZDXEGJMDZ-HUUCEWRRSA-N 260.356 3.612 30 20 CHED N#Cc1ccc(CSc2ccc3c(c2)CCO3)c(F)c1 1641199090 YKVOTLOAQHGMAX-UHFFFAOYSA-N 285.343 3.925 30 20 CHED CCCN(CC1(CC#N)CC1)[C@H]1C[C@H](OCC)C1(C)C 1652536748 KBSPKHPCNMQQET-GJZGRUSLSA-N 278.440 3.596 30 20 CHED Cc1cc(C#N)nc(N2CCc3cc(C(C)(C)C)ccc32)n1 1650994540 UQEZUVMVLYIZFD-UHFFFAOYSA-N 292.386 3.648 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 1586124561 LFITXVGYDKJDGN-IJLUTSLNSA-N 290.329 3.506 30 20 CHED COc1ccccc1COc1nc(C(C)(C)C)ccc1C#N 1656664184 URPXBRDOLVILSS-UHFFFAOYSA-N 296.370 3.838 30 20 CHED CCc1ccc(CN(Cc2cccc(C#N)n2)C2CC2)cc1 1659324999 ABURLAYJGHJBTM-UHFFFAOYSA-N 291.398 3.680 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1ccc(C)cn1 1776783926 ATMONHQCFBRYGY-HNNXBMFYSA-N 292.423 3.683 30 20 CHED CCc1nc(C#N)cc(NCC2(C)CCCCCC2)n1 1651687760 RLOFSQUHHUPRGG-UHFFFAOYSA-N 272.396 3.683 30 20 CHED CCCCCCCC(=O)N1CCC[C@H](N2CCCC2)CC1 150749264 ZRWCTYRJLXRUCB-KRWDZBQOSA-N 294.483 3.824 30 20 CHED C=CCN(C)C(=O)CCOc1ccccc1-c1ccccc1 161758738 VVMBCTMWNBBJQC-UHFFFAOYSA-N 295.382 3.767 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1 206964785 CGPYOCSBQFYCDB-YHYXMXQVSA-N 287.309 3.927 30 20 CHED CCc1nnc(Oc2ccc(F)c(C)c2)c(C#N)c1CC 158867045 GLQCYULQIUWEIQ-UHFFFAOYSA-N 285.322 3.713 30 20 CHED C=CCCCCCN(C)C(=O)C[C@@H](C)c1c(C)n[nH]c1C 163191201 SGFOGJRNIJFERY-CYBMUJFWSA-N 291.439 3.725 30 20 CHED Cc1ccccc1C(=O)N[C@H](CCC#N)c1ccccc1 153285977 ZOWXFXZXAQXVJC-QGZVFWFLSA-N 278.355 3.770 30 20 CHED C[C@@H]1CCC[C@H](C(=O)N[C@@H](CCC#N)c2ccccc2)C1 153451338 CIPLVZZAAQSMEM-PVAVHDDUSA-N 284.403 3.974 30 20 CHED COc1ccc(NCc2ccc(C#N)s2)c(C)c1 157507964 LCLBUKSHTRNFII-UHFFFAOYSA-N 258.346 3.549 30 20 CHED C=CCCNc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 157149995 KAMLCXGEGFTNRK-HUUCEWRRSA-N 286.419 3.793 30 20 CHED CCO[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 154083864 IHRVVNDQBVUIKO-CYBMUJFWSA-N 298.308 3.582 30 20 CHED CC(C)CN(C[C@@H](O)c1ccc(C#N)cc1)CC(C)(C)C 156722077 WDNZQMYBMDOGQJ-QGZVFWFLSA-N 288.435 3.596 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1C 207526824 GKVMPRQLHKYLDV-VURMDHGXSA-N 268.312 3.605 30 20 CHED C=CCN(Cc1coc(-c2ccccc2)n1)C(C)C 917069489 PGHXJSAQPYVOJC-UHFFFAOYSA-N 256.349 3.738 30 20 CHED N#Cc1ccc(NC(=O)CCc2ccccc2Cl)cc1 21356215 WHGNXJZUWMXSCX-UHFFFAOYSA-N 284.746 3.783 30 20 CHED C[C@H]1SCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 235656761 KNGZNZORKUMZQX-PRHODGIISA-N 286.322 3.883 30 20 CHED C[C@H]1CCCC[C@@H]1CNCc1cc(C#N)ccc1F 42862855 CPRCWWDNSHDKFL-GXTWGEPZSA-N 260.356 3.613 30 20 CHED CN(CC(C)(C)C)c1c(C#N)cnc2ccccc12 45088925 PRDCKRSXALZBQA-UHFFFAOYSA-N 253.349 3.589 30 20 CHED C#Cc1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 49963033 AIAXPBQNRVQHBN-UHFFFAOYSA-N 286.718 3.842 30 20 CHED CC#CCCN(Cc1ccccc1)Cc1ccco1 462318863 YXRHWYWDFAHGMK-UHFFFAOYSA-N 253.345 3.695 30 20 CHED COCc1ccccc1CNc1cccc(Cl)c1C#N 55476708 OEXURHNQGRHJTC-UHFFFAOYSA-N 286.762 3.970 30 20 CHED N#CCc1ccc(CN2CCCC3(CCC3)C2)cc1 348171492 UTIZHTQDQYICRC-UHFFFAOYSA-N 254.377 3.519 30 20 CHED C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 70114023 ZMIWOJHHTCTMMV-NQBHXWOUSA-N 273.336 3.703 30 20 CHED Cc1nc(C#N)cc(Oc2ccc(Cl)cc2Cl)n1 308275273 BJWZOYSOQNIPPT-UHFFFAOYSA-N 280.114 3.756 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(Cl)cn1 521473082 UPVIYYYDNXCEEI-LLVKDONJSA-N 252.789 3.988 30 20 CHED CC(C)(C)C[C@H](CO)/N=C(/O)c1csc(C(C)(C)C)n1 330630647 DGKWZFQWNVPBJX-SNVBAGLBSA-N 298.452 3.542 30 20 CHED CC(C)(CCC#N)CNCc1cnc(C(F)(F)F)s1 342286028 SKPKXMQFJAOFEW-UHFFFAOYSA-N 291.342 3.581 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)Nc2ccc(C#N)cc2)C1(C)C 710812944 ZGRLRJAZDYHFEC-SJCJKPOMSA-N 270.376 3.959 30 20 CHED C[C@H](NC1CCC2(CC1)CC2)c1cccc(C#N)c1 488442171 DRGGIZDFLKZVMV-ZDUSSCGKSA-N 254.377 3.932 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 496434834 WIPVSFGWOAGYLN-KBPBESRZSA-N 296.455 3.576 30 20 CHED Cc1cc(C#N)cc(C)c1OC[C@H]1CCCC1(F)F 382097725 JRHKLMBCSZAVPG-CYBMUJFWSA-N 265.303 3.989 30 20 CHED N#Cc1ccncc1NC[C@H]1CCCC[C@H]1C(F)(F)F 288501598 MNCSDXPQXOPSBG-VXGBXAGGSA-N 283.297 3.734 30 20 CHED C=CCOc1ccc(CN[C@H]2CCC[C@@H]3C[C@H]23)cc1 459777430 VVCXKNABPAYBEP-PVAVHDDUSA-N 257.377 3.530 30 20 CHED COc1cccc(C(=O)/C=C/c2ccc(C)c([N+](=O)[O-])c2)c1 7742341 IDCFDLUPEHJGRE-CMDGGOBGSA-N 297.310 3.808 30 20 CHED CCOc1ccccc1NCc1cc(C#N)ccc1F 20041353 WFMNWNDPPYDQRX-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CC(=O)Nc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 37201358 SYBYIIPILOTENG-LBPRGKRZSA-N 279.343 3.690 30 20 CHED CCC(CC)[C@H](CN[C@@H](C)c1cccc(C#N)c1)N(C)C 37241168 JFFFSJSOEMDSNJ-KSSFIOAISA-N 287.451 3.575 30 20 CHED CSc1ccc(CNCc2cccc(C#N)c2)cc1 37501707 UNELUMPVQLIHDR-UHFFFAOYSA-N 268.385 3.570 30 20 CHED COc1ccc([C@H](C)NCc2cccc(C#N)c2)c(F)c1 37748908 QKUHAHYQZAJLKM-LBPRGKRZSA-N 284.334 3.557 30 20 CHED CCC1CCC(CNCc2ccc(C#N)cc2)CC1 37905090 NAVAFKWENWRVSI-UHFFFAOYSA-N 256.393 3.864 30 20 CHED CC[C@H](CC#N)N[C@@H](C)c1cccc(Br)c1 38012420 BSGFRRXTEIGWNO-GXFFZTMASA-N 281.197 3.792 30 20 CHED CC(C)N(CCC#N)C(=O)Nc1cccc2ccccc12 42248751 APWDPLCHEOUMFX-UHFFFAOYSA-N 281.359 3.996 30 20 CHED N#Cc1cccnc1N[C@@H]1CCOc2c(Cl)cccc21 49322368 QCRZGVTUQSMOHB-CYBMUJFWSA-N 285.734 3.542 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2F)ccc1F 61096732 YAKYQOHPKGKFPF-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=C(C)CN(CC)C(=O)NCC(C)(C)c1cccc(C)c1 63409041 IZYBUOLTNGEFFM-UHFFFAOYSA-N 288.435 3.880 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1C(C)C 69313297 YBIQOHQJKUUQTP-CYBMUJFWSA-N 261.365 3.730 30 20 CHED CC(C)[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 73849537 IPSNPBBGDIHKDO-QGZVFWFLSA-N 278.355 3.937 30 20 CHED CC(C)(C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 75460347 QYYUWQIORWTHRF-UHFFFAOYSA-N 294.354 3.879 30 20 CHED N#CCCCCN1CC[C@H](CSc2ccccc2)C1 75964793 PGNIOXWCJPPQQB-HNNXBMFYSA-N 274.433 3.794 30 20 CHED CC(C)c1nc([C@@H](C)NCc2cccc(C#N)c2)cs1 76900875 YRPOQBKSUUTGFD-GFCCVEGCSA-N 285.416 3.989 30 20 CHED CC(C)[C@H](C)SCC(=O)N(CCC#N)c1ccccc1 79083053 AEWFTPZKTYDLKR-AWEZNQCLSA-N 290.432 3.711 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2SCCc3ccccc32)c1 79403565 PECKPHAWOPPLGH-KRWDZBQOSA-N 293.391 3.637 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(C#N)c2)o1 79634896 HHVBPQLSOISLJA-NHYWBVRUSA-N 295.342 3.596 30 20 CHED O=C1/C(=C/C=C/c2ccccc2)COc2ccccc21 82149454 UQBUVQXVBZGKTI-UJHPFZFGSA-N 262.308 3.902 30 20 CHED CCOc1ccc(CSc2ccccc2C#N)nc1 83597190 GCYCRVSNLKPVKD-UHFFFAOYSA-N 270.357 3.644 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2cccc(F)c2F)c1 87240609 AJRQFJSDCNTXED-UHFFFAOYSA-N 299.320 3.542 30 20 CHED C=C(C)COCCN[C@H](C)c1ccc(SC)c(OC)c1 90451326 UELYNABUXCCECP-CYBMUJFWSA-N 295.448 3.660 30 20 CHED CSC(C)(C)CNc1ccc2cc(C#N)ccc2n1 92918442 HCHOYMWETAFHKG-UHFFFAOYSA-N 271.389 3.660 30 20 CHED CCN(C[C@@H](O)c1ccc(C)cc1)CC(C)(C)CCC#N 93641314 MOFUQGJZYVIKGR-QGZVFWFLSA-N 288.435 3.680 30 20 CHED C=CCS[C@H](C)C(=O)Nc1ccc(SC)cc1 114756957 CVHCRHFSTNXPFD-SNVBAGLBSA-N 267.419 3.655 30 20 CHED CCCCC[C@@H](NC(=O)N1CCC(C#N)CC1)C(C)(C)C 115701374 MWRDEZCOSRNOFV-OAHLLOKOSA-N 293.455 3.927 30 20 CHED C=CCCCN[C@H](c1ccccc1)c1ccccn1 117871012 KTEAMZCSTCQRFP-QGZVFWFLSA-N 252.361 3.727 30 20 CHED Cc1ncccc1/C=C/C(=O)c1ccc(O)c(Cl)c1 119255926 LUSOVUNWNOVHSG-GQCTYLIASA-N 273.719 3.645 30 20 CHED CN(Cc1cc(C#N)ccc1F)Cc1cccc(F)c1F 120639531 VFRLPWLFXNNCQK-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CC(C)(C#N)CNC1c2ccccc2-c2ccccc21 122310015 IJDLFISJOKRFEE-UHFFFAOYSA-N 262.356 3.896 30 20 CHED N#CC1CCN(Cc2ccccc2OC2CCCC2)CC1 123670527 FOGBNYJWRLLDBY-UHFFFAOYSA-N 284.403 3.744 30 20 CHED N#Cc1csc(CN2CCc3c(Cl)cccc3C2)c1 123832344 SAERLVATDIPODG-UHFFFAOYSA-N 288.803 3.831 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H](OCC)C1 126951737 CWJRHXMPYQTILR-HNNXBMFYSA-N 269.429 3.765 30 20 CHED CC[C@H](C#N)Sc1nnc(C2CC2)n1-c1ccccc1 127117113 URQUBNPYQZISGW-CYBMUJFWSA-N 284.388 3.539 30 20 CHED CCCCCCCOC(=O)[C@H]1CCC(=O)C[C@H]1C 127488310 JPKNPGOYMHIFIQ-OCCSQVGLSA-N 254.370 3.505 30 20 CHED Cc1ccc(C[S@](=O)Cc2cccc(C#N)c2)cc1C 129781900 DELPQZFFBKFBDK-FQEVSTJZSA-N 283.396 3.624 30 20 CHED C#Cc1cccc(NCC2=Cc3ccccc3OC2)c1 130491123 BTNKMHCMRGWNMU-UHFFFAOYSA-N 261.324 3.556 30 20 CHED COc1cccc(SCc2cc(F)ccc2C#N)c1 130491892 BNBAQCYSGHXBRM-UHFFFAOYSA-N 273.332 3.998 30 20 CHED C#Cc1cccc(NC(=O)[C@H](C)c2c(F)cccc2F)c1 131938694 CBETVDZWJIJOEO-LLVKDONJSA-N 285.293 3.688 30 20 CHED C=C[C@@H](CC(=O)NC[C@H](OC)C(C)(C)C)c1ccccc1 137115358 BHBPRCLGIRGATC-HOCLYGCPSA-N 289.419 3.524 30 20 CHED C[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccsc1 151421797 VGVKSELXFDHQOS-LLVKDONJSA-N 270.357 3.556 30 20 CHED Cc1cc(C)c(C)c(OC[C@@H](O)c2ccc(C#N)cc2)c1 153364904 ITKDYDRGVUDVSO-QGZVFWFLSA-N 281.355 3.596 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(C)noc1C1CC1 154132566 MZQNGPKLRFAGQC-UHFFFAOYSA-N 260.337 3.567 30 20 CHED C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N 154264593 KQAYCPVYTJSQBE-BDAKNGLRSA-N 262.378 3.512 30 20 CHED C[C@@H](NCC1(C2CC2)CCC1)c1ccc(C#N)cc1 155042709 ORUUHDKNGXHIME-CYBMUJFWSA-N 254.377 3.789 30 20 CHED Cc1ccc(C(=O)CCN(C)Cc2cccc(C#N)c2)cc1 158442027 WMWFPEBMEQFMQH-UHFFFAOYSA-N 292.382 3.572 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](CC)c2ccncc2)cc1 158668698 DXDVBTZDKRKADR-KRWDZBQOSA-N 296.370 3.528 30 20 CHED C=C(C)CCNc1ccc(Br)c(OC)c1 169015295 LTMSNYHZLWAMEW-UHFFFAOYSA-N 270.170 3.836 30 20 CHED C=CCn1c(SCC2CCOCC2)nc2ccccc21 171860749 ZWNYQQBUJWHTGK-UHFFFAOYSA-N 288.416 3.741 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(-n2ccnc2)cc1 172465350 YPULNSLXDNIAFC-UHFFFAOYSA-N 297.402 3.691 30 20 CHED CCCCc1nc(CNc2cccc(C#N)c2)cs1 172850738 YSYXKBULXBMRKN-UHFFFAOYSA-N 271.389 3.969 30 20 CHED C=CCNc1cc(Cl)ccc1C(=O)N1CCCCC1 174944479 PJUIPXLLCZFGLH-UHFFFAOYSA-N 278.783 3.564 30 20 CHED C=CCCCC(=O)N[C@@H]1CCCC[C@H]1SCC 175281200 RTVFXFADJGZZHV-CHWSQXEVSA-N 255.427 3.523 30 20 CHED Cc1c(Cl)cc(NC(=O)NC[C@@H](C)C#N)cc1Cl 176410929 MTTPPLFOYKBGGL-ZETCQYMHSA-N 286.162 3.583 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 176962043 ILXNMCXXFCIGLF-QGZVFWFLSA-N 284.403 3.528 30 20 CHED N#Cc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)c(F)c1 177198061 PLYBWUOTFOEZQH-HOTGVXAUSA-N 290.407 3.557 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCOc3ccccc32)c(F)c1 177859572 LAROZVJQTAKXAI-QGZVFWFLSA-N 296.345 3.701 30 20 CHED C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1 178643946 OILLJROBUZVACD-PXAZEXFGSA-N 296.345 3.872 30 20 CHED CC(C)Oc1cccc([C@@H](C)NCCCSCC#N)c1 179683017 XRWKFKIEDKIPNU-CQSZACIVSA-N 292.448 3.771 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1cc(F)ccc1F 180613223 IYRIGKFRCQJFSV-NSHDSACASA-N 266.287 3.763 30 20 CHED C#CCCCCC(=O)OCc1nc2ccccc2s1 180619440 SVKRXDXRIYYWDJ-UHFFFAOYSA-N 273.357 3.533 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(Br)c(C)c1 181498693 PPSGNKIAVXTKKP-UHFFFAOYSA-N 297.196 3.797 30 20 CHED CC[C@@H](CC#N)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 184093924 JYDJAYPRDKBASM-ZDUSSCGKSA-N 275.352 3.500 30 20 CHED Cc1cncc(CNc2ccc(C(F)(F)F)c(C#N)c2)c1 184123063 FDKBQGXHPNASOC-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=CCC[C@@H](C)N[C@@H](C)c1nc(Cc2ccccc2)no1 185399561 MCJDGEPKWWDIAZ-KGLIPLIRSA-N 285.391 3.666 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1=CCCCCC1 185731911 DHOGGTKPAOFJSK-UHFFFAOYSA-N 294.398 3.963 30 20 CHED CCN(CC)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 185786285 TUFUFLGDXPYIDJ-IRXDYDNUSA-N 285.435 3.705 30 20 CHED Cc1ccnn1-c1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 185897769 AQYYWBYZQWLHCU-HUUCEWRRSA-N 280.375 3.675 30 20 CHED N#C[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1Cl 188917018 WQQSXJOSTVICJV-WFASDCNBSA-N 288.778 3.767 30 20 CHED Cc1ccc(NCc2cc(C#N)n(C)c2)cc1C(F)(F)F 189591012 CHWXWZZTOSZZHY-UHFFFAOYSA-N 293.292 3.836 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2ncsc2c1 190564882 UNQOQQWTSSMJHR-CQSZACIVSA-N 260.362 3.837 30 20 CHED CC(C)(C)c1ccc(C[S@@](=O)CCCC#N)cc1 190732995 OOCKNLDVEYNSID-SFHVURJKSA-N 263.406 3.537 30 20 CHED CCC[C@H](CCc1ccccc1)NCc1cc(C#N)n(C)c1 191190425 XBGPEEMEPBUNKI-GOSISDBHSA-N 295.430 3.788 30 20 CHED C#CCCCC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 192340374 ZRMBTOUEDOZJDM-OAHLLOKOSA-N 273.376 3.835 30 20 CHED Cc1cc(C(=O)/C=C/c2c(C)noc2C)c(C)s1 192883696 CXCQVLYQRXZGRX-AATRIKPKSA-N 261.346 3.866 30 20 CHED Cn1ccc2cccc(N[C@@H]3CCC[C@@H](C#N)C3)c21 193347460 LVKRQQJJXFXFML-TZMCWYRMSA-N 253.349 3.673 30 20 CHED C=CCOc1ccc(/C=C/c2ccc(C#N)cn2)cc1OC 193446996 WZGHXYIEHCISPP-QPJJXVBHSA-N 292.338 3.697 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)CCCC(C)C 217421213 LRPASFNUXYZCRN-CQSZACIVSA-N 254.418 3.809 30 20 CHED N#CC1(C(=O)NCCCC2CCCC2)CCCCC1 218739876 RVBWHWDRHQJCBG-UHFFFAOYSA-N 262.397 3.547 30 20 CHED CC1(C)CCCN(Cc2cccc(C#N)c2F)CC1 223547032 HSXNDABDRHFBFO-UHFFFAOYSA-N 260.356 3.709 30 20 CHED CC(C)COCCCNc1c(C#N)cnc2ccccc12 228179254 YGIANZQEDGEXPK-UHFFFAOYSA-N 283.375 3.581 30 20 CHED COc1cc(CNc2cc(C)cc(F)c2)ccc1C#N 234898229 LQDBAQFZJXGRAL-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@H]1C[C@@H](C)CN(CCCN[C@H](C)c2cccc(C#N)c2)C1 245825297 ATYAPLZDLTXCLL-IXDOHACOSA-N 299.462 3.577 30 20 CHED CCOc1cccc(C=Nc2ccc(O)c(C)c2)c1O 255472533 CRBCDJYOTIQXSH-UHFFFAOYSA-N 271.316 3.556 30 20 CHED C=CCN(CC=C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 264002754 LMWNZTPFPWFPGQ-AWEZNQCLSA-N 297.320 3.923 30 20 CHED C[C@@H]1[C@@H](Cc2ccccc2)CCN1CCCCC#N 266949000 SXOKKIOUNHYMRO-NVXWUHKLSA-N 256.393 3.633 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)C1(C#N)CCCC1 269009224 LBEYPGVQHLTBDL-ZDUSSCGKSA-N 257.333 3.683 30 20 CHED Cc1noc(C)c1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 271142460 WGVKNOMPYRWDQN-UHFFFAOYSA-N 298.346 3.737 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2c(C#N)cnc3ccccc23)CCO1 271409782 JZYBRSADJGLDJP-PBHICJAKSA-N 295.386 3.722 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(CO)c1 271961989 LUAORYLOENQTTE-BEFAXECRSA-N 294.398 3.875 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCO[C@H](c2ccccc2)C1 275027890 RNFGYAQSVLUQNG-BEFAXECRSA-N 292.382 3.693 30 20 CHED N#C[C@@H](NC(=O)C1=CCCCC1)c1ccc(Cl)cc1 275616816 NYWNHADJXMCOHI-CQSZACIVSA-N 274.751 3.521 30 20 CHED C=CCCN(C)C(=O)Nc1cc(F)cc(Cl)c1 276142778 OSHIUVZLVWVUFN-UHFFFAOYSA-N 256.708 3.519 30 20 CHED C=C(C)[C@@H](NC(=O)CC(C)(C)OC)c1ccc(F)c(F)c1 278829847 QNDBEPFEOXNCLI-OAHLLOKOSA-N 297.345 3.513 30 20 CHED C#CCCCCN[C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 280398603 VLDUKOYMHIZQME-HUUCEWRRSA-N 289.419 3.589 30 20 CHED C[C@@H]1Cc2ccccc2N1CCCC1(C#N)CCOCC1 281148656 BESVUUDBVMLFAL-OAHLLOKOSA-N 284.403 3.538 30 20 CHED C=CCC[C@@H](NCc1cn(C(C)C)nn1)c1ccccc1 289856817 VSBXEZPNZINZQM-QGZVFWFLSA-N 284.407 3.656 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2cc(C)cc(F)c2)no1 290138881 OWZKCHHFTZPJOP-MRXNPFEDSA-N 290.338 3.664 30 20 CHED Cc1nc(NC(=O)C2(C#N)CCC2)ccc1-c1ccccc1 290983789 RWCHFDWQOCCWBZ-UHFFFAOYSA-N 291.354 3.689 30 20 CHED Cc1ccc([C@@H]2CCCCCN2C(=O)CCCC#N)o1 291502933 NMLVRUQHVKNEBQ-AWEZNQCLSA-N 274.364 3.726 30 20 CHED Cc1nc(-c2ccccc2)sc1NC(=O)CCCC#N 292010431 XYSJGLPVYRCLLT-UHFFFAOYSA-N 285.372 3.751 30 20 CHED C=CCC(C)(C)CN[C@@H](c1nnc[nH]1)C1CCCCC1 293787872 UAEZGQHEVKMFRH-CQSZACIVSA-N 276.428 3.618 30 20 CHED C#CCC(C)(C)c1nc([C@@H]2CSc3ccccc32)no1 296539759 SFRMJISHINJGNM-GFCCVEGCSA-N 284.384 3.608 30 20 CHED C=CCC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccn1 296710509 GMGOPDFPWKNQSQ-UHFFFAOYSA-N 272.270 3.641 30 20 CHED C=CCN(Cc1ccccc1F)[C@@H]1CC[C@@H](C#N)C1 298302412 YEVMZFNFPGLKKZ-UKRRQHHQSA-N 258.340 3.506 30 20 CHED C[C@H](Nc1ccc(C#N)cn1)c1cccc(OC(F)F)c1 301075223 FRWXPMXXHURLIU-JTQLQIEISA-N 289.285 3.728 30 20 CHED CC(C)CNc1c(C#N)cnc2ccc(Cl)cc12 301367060 SSWLLOASJHQJCF-UHFFFAOYSA-N 259.740 3.828 30 20 CHED C[C@H](C1CC1)n1cc(Nc2cccc(F)c2C#N)cn1 302404723 KPAMPJOGNUWJPS-SNVBAGLBSA-N 270.311 3.608 30 20 CHED CCO[C@@H]1C[C@@H](Nc2c(C#N)cccc2C#N)C12CCCC2 302669392 KEJGZVPEPGAJFS-HZPDHXFCSA-N 295.386 3.580 30 20 CHED Cc1ccc(N/C(N)=N/CCCC2CCCC2)cc1 303902481 UBMDLFZWXVNQDO-UHFFFAOYSA-N 259.397 3.692 30 20 CHED Cc1cc(N=C(O)CCC2CCOCC2)cc2n[nH]cc12 328988455 DZLJFCMYHBATFP-UHFFFAOYSA-N 287.363 3.666 30 20 CHED OC1=N[C@H](C/C(O)=N/C2CCC3(CC2)CC3)CCC1 329656352 MRDKPRYBKOWXHH-LBPRGKRZSA-N 264.369 3.565 30 20 CHED N#CC[C@H](C/C(O)=N/[C@H]1CCCOCC1)c1ccccc1 330009126 HCTJLASFZHWIMS-CVEARBPZSA-N 286.375 3.600 30 20 CHED CCOc1ccc(OC)cc1N=C(O)N1CCC[C@H]1CC 330632449 IDGJOPMHLDTCLQ-GFCCVEGCSA-N 292.379 3.514 30 20 CHED C[C@@H]1C[C@H](CC(=O)NCC2(C#N)CCC2)CC(C)(C)C1 331869185 LOWDYQIVDMLPJV-ZIAGYGMSSA-N 276.424 3.649 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC(C)(C)[C@H]1c1cccnc1 335555653 VXKDGLFGFNJUER-CQSZACIVSA-N 272.392 3.593 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cc(Cl)sc2Cl)C1 335562129 RRMSWEHCMBEQIO-IONNQARKSA-N 275.204 3.837 30 20 CHED C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)c(Cl)cc1F 336296322 KFIGGBXEHLDRRW-INWYIAFRSA-N 287.121 3.621 30 20 CHED C=C(C)[C@@H](CC(=O)N(CC)c1ccccc1C)OCC 339207448 RDQQSGSGPBBUCK-MRXNPFEDSA-N 275.392 3.719 30 20 CHED Cc1ccccc1C1CCN(c2cccc(C#N)n2)CC1 339221940 PJFREKYXMSMHNQ-UHFFFAOYSA-N 277.371 3.646 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc(-c2ccco2)cs1 340089952 LFCKXPGQOZFYRW-UHFFFAOYSA-N 276.361 3.944 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCC[C@H]1F 340927963 PXJVMQPIAPFFOA-CHWSQXEVSA-N 279.380 3.585 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2cc(C#N)cn2C)n1 341164658 DTOVKGPXOGVPPV-STQMWFEESA-N 284.363 3.631 30 20 CHED CC(C)Oc1cccc([C@@H](C)Nc2cc(C#N)ccn2)c1 341558184 CMCWGRFNWMBJAP-CYBMUJFWSA-N 281.359 3.914 30 20 CHED N#Cc1cc(CSCc2cccnc2)ccc1F 342003524 SMNLOSIIWZESMS-UHFFFAOYSA-N 258.321 3.526 30 20 CHED CCn1c(C(=O)Nc2ccc(C#N)cc2)cc2ccccc21 342840882 BCFVRYIBLKIUKK-UHFFFAOYSA-N 289.338 3.785 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(C#N)c2)C1 343620312 GTXNXERWMRRALM-RDTXWAMCSA-N 290.366 3.782 30 20 CHED N#Cc1ccc(NCC(F)(F)c2ccc(Cl)cc2)cn1 343934589 GOUIOHMFQCJHCQ-UHFFFAOYSA-N 293.704 3.811 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 344342245 ZXYNBVYIIHTCDK-JKSUJKDBSA-N 294.329 3.634 30 20 CHED Cc1c(F)ccc(Cl)c1C(=O)NCC(C)(C)CCC#N 345736948 FMZFSEXBRKSXSN-UHFFFAOYSA-N 296.773 3.847 30 20 CHED C=CCOCCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 347964861 LMRBEPVDEQPJBA-WMLDXEAASA-N 289.419 3.960 30 20 CHED CCOc1cccc2cc([C@H](C)NCC3(C#N)CC3)oc12 348264775 YVFDUJRHDGLVBF-LBPRGKRZSA-N 284.359 3.786 30 20 CHED Cc1c(F)cccc1NC(=O)NCC(C)(C)CCC#N 349485459 HQEBDNBYIRVISH-UHFFFAOYSA-N 277.343 3.586 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2nc(C)cs2)c1 351838504 QZKDMNHBPBGVAG-INIZCTEOSA-N 299.399 3.997 30 20 CHED C=CCC(C)(C)CNC(=O)c1csc(-c2ccoc2)n1 352512470 YBQKHDHPUIOASC-UHFFFAOYSA-N 290.388 3.735 30 20 CHED C=CCOc1ccc(C(=O)N(C)C(C2CC2)C2CC2)cc1 353048024 OOQNPIIHINZVJO-UHFFFAOYSA-N 285.387 3.512 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CCc3ccccc32)cc1F 353567478 YTRLNXPSZZVSFI-INIZCTEOSA-N 295.317 3.506 30 20 CHED CCS[C@@H]1CCCCN(Cc2ccccc2C#N)C1 353589505 HDXYNMHRGQJHTK-MRXNPFEDSA-N 274.433 3.666 30 20 CHED C=CCCC1(C(=O)NCCCN(C)C2CCCCC2)CC1 354310070 FNCKUXAOZVTXHN-UHFFFAOYSA-N 292.467 3.504 30 20 CHED C[C@@H]1CCC[C@H](c2noc(COc3ccc(C#N)cc3)n2)C1 356184768 DZCGLLFGJKAAKJ-OCCSQVGLSA-N 297.358 3.814 30 20 CHED CSC1(CN(CCC#N)CCC(C)C)CCC1 356188220 DMWBXYWMTASNEL-UHFFFAOYSA-N 254.443 3.534 30 20 CHED CCC1(CC)[C@H](NCc2cc(C#N)cs2)[C@@H](C)[C@H]1OC 356319960 ZUIDAFSRCPLPQJ-KCPJHIHWSA-N 292.448 3.549 30 20 CHED C=C1CCN(C(=O)c2cc(C)c(C)cc2Cl)CC1 358176670 TVOMIETVQNHNLY-UHFFFAOYSA-N 263.768 3.749 30 20 CHED CC[C@@H](N[C@@H](CO)CCC(C)(C)C)c1ccc(C#N)cc1 359088175 XOKSKOUMIOOFBG-IAGOWNOFSA-N 288.435 3.786 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(C#N)c[nH]1 359147333 FPAWQCHEEXLKAF-INIZCTEOSA-N 295.386 3.712 30 20 CHED C[C@H](c1cc(F)ccc1F)N(C)CC(C)(C)C#N 359754023 VTHCVCZMJLAOTO-SNVBAGLBSA-N 252.308 3.507 30 20 CHED N#CCCCC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 360312419 VDUPIDAHQSAVTM-KRWDZBQOSA-N 288.366 3.867 30 20 CHED CCC1CCC(N(Cc2cc(C#N)n(C)c2)C2CC2)CC1 361501389 PTUSOGOGHVPOKU-UHFFFAOYSA-N 285.435 3.830 30 20 CHED CCC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1 362295701 DRFNQZGCOIRQSI-UHFFFAOYSA-N 296.301 3.542 30 20 CHED C#CCCCNC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 370006578 JAMYVFMYOBDQQU-BCDXTJNWSA-N 296.414 3.520 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCO[C@]2(CCOC2)C1 373368931 IGXYFBCJBWLMLT-YESZJQIVSA-N 283.456 3.663 30 20 CHED CC[C@H](NC(=O)c1cc(C#N)ccc1Cl)[C@@H]1CC1(C)C 416084870 PPOUBDHDGGVPMV-JSGCOSHPSA-N 290.794 3.766 30 20 CHED N#CC1(CSCc2cccc(F)c2F)CCC1 419349857 DVEFBNPXTBLLNS-UHFFFAOYSA-N 253.317 3.892 30 20 CHED C=C(C)C(C)(C)c1nc(-c2ccc(CN(C)C)cc2)no1 424217284 KPYHWRLEBLWBCJ-UHFFFAOYSA-N 285.391 3.652 30 20 CHED COc1ccc(Cl)cc1C(C)(C)NCC1(C#N)CCC1 425517746 WYCNGOMTTKOUCZ-UHFFFAOYSA-N 292.810 3.867 30 20 CHED Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccccc2CC#N)cc1 425581239 KMCYLAKLHICYGH-SJORKVTESA-N 290.366 3.803 30 20 CHED C=CCC[C@H](CC)NCCc1nnc(C(C)C)s1 426294202 IXEXFKJOXGCHFM-LBPRGKRZSA-N 267.442 3.538 30 20 CHED CCOc1cc(C#N)ccc1OCCc1ccccc1F 431962248 YUTVVUBVCYNFSJ-UHFFFAOYSA-N 285.318 3.718 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 432096528 SQUVRPOSDUMRHI-GJZGRUSLSA-N 290.382 3.583 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(F)cc1F 432120792 RYQLJFYSRYERDH-NSHDSACASA-N 296.361 3.927 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC2CCC1CC2 432874390 BGEOVLVUVZESOS-PESDSKBTSA-N 298.386 3.722 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)Cc1ccc(Cl)cc1 435735652 OXNBLUTYAUWULG-QRTARXTBSA-N 293.838 3.842 30 20 CHED C=C(C)COc1cccc(CNC(=O)Nc2ccccc2)c1 435799581 MJQKLIOUQDTPLJ-UHFFFAOYSA-N 296.370 3.963 30 20 CHED CC(C)(CCC#N)CNC(=O)c1cc2ccccc2cc1O 436739678 PBCCEPZYACPRMI-UHFFFAOYSA-N 296.370 3.605 30 20 CHED C=CCC[C@@H](C(=O)N1CCC=C(C)C1)c1ccccc1 437981460 BXYGTHREVAQSSO-QGZVFWFLSA-N 269.388 3.915 30 20 CHED C[C@@H](c1cccnc1)N(C)Cc1ccc(C#N)cc1Cl 439436567 IHJWHEQVDXQHIK-LBPRGKRZSA-N 285.778 3.800 30 20 CHED CC(C)CC1(C(=O)NCC#Cc2ccccc2)CCCC1 445512937 PHIMDTPQSLSFJI-UHFFFAOYSA-N 283.415 3.761 30 20 CHED Cc1ccnc(N[C@@H](CC(F)(F)F)C(C)C)c1C#N 445662024 ORVJAHZJYKVCIU-NSHDSACASA-N 271.286 3.651 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1ccc(C)cc1OCCC 445855461 JBJRTPDOGUMZMA-CQSZACIVSA-N 290.407 3.548 30 20 CHED COC1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 446903220 WVBWKUCRRLBJPM-UHFFFAOYSA-N 298.308 3.947 30 20 CHED CC(C)OC(C)(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 448548212 OQOWRXKNVOZKFW-UHFFFAOYSA-N 288.391 3.630 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 448958310 WOFDPCKBPHJCAY-QZTJIDSGSA-N 283.415 3.995 30 20 CHED CC1(C)CCCN(Cc2ccnn2C2CCCC2)[C@@H]1C#N 449281675 DZSGMLXUWJZDEE-MRXNPFEDSA-N 286.423 3.512 30 20 CHED C=C(C)CCNC1CCC(OC2CCCC2)CC1 449475603 LSMFYVDCSGFCMB-UHFFFAOYSA-N 251.414 3.813 30 20 CHED C=CCC1(C(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)CCCCC1 449954820 QEUCCKCEOPLFCO-ZIAGYGMSSA-N 261.409 3.627 30 20 CHED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C1CC1 450384669 CJVLMSGNCWSLOD-UONOGXRCSA-N 275.779 3.621 30 20 CHED C=CCCCCNC(=O)Cc1cc2ccccc2s1 450965731 UYAIEPOKBAHNNN-UHFFFAOYSA-N 273.401 3.916 30 20 CHED C=C(C)CCNC(=O)c1cccc(-c2csc(C)n2)c1 452720705 XQQHJRJAEXPSHT-UHFFFAOYSA-N 286.400 3.815 30 20 CHED C=CC(C)(C)CNC(=O)c1c(-c2ccccc2)noc1CC 452774077 KAQLHPRUTBENNW-UHFFFAOYSA-N 298.386 3.846 30 20 CHED CO[C@H](C1CC1)[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 453364402 LOWNQBHPWXBVTC-AGRHKRQWSA-N 298.430 3.729 30 20 CHED CCC[C@@H](NC(=O)NCc1ccc(C#N)cc1)C(C)(C)C 454270075 HPPOKSKXOMVOJI-OAHLLOKOSA-N 287.407 3.572 30 20 CHED C=CCC1(NC(=O)c2cccc3ncn(C)c23)CCCCC1 456376512 ZOOUHGSINPMHLL-UHFFFAOYSA-N 297.402 3.582 30 20 CHED C=CCC1(C(=O)N[C@H](C2CCC2)C2CC2)CCCC1 457230651 DGVDIGLTVHYVSD-OAHLLOKOSA-N 261.409 3.818 30 20 CHED C[C@H](NCC(C)(C)CC#N)C1CCC(F)(F)CC1 459731944 NVNLDUKOUARMFS-NSHDSACASA-N 258.356 3.730 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)[C@@]1(C)CCC[C@H]1C 460058138 YLYLNRKEWUOPDG-PXAZEXFGSA-N 286.375 3.722 30 20 CHED CCCc1nsc(Oc2cc(Cl)ccc2C#N)n1 461966646 CTUSBWNWORGGAZ-UHFFFAOYSA-N 279.752 3.808 30 20 CHED C=CCCC[C@H](C)Sc1ncccc1[N+](=O)[O-] 462401470 QFDYSOKUPFFMPB-JTQLQIEISA-N 252.339 3.827 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCC[C@H]1CCC(C)C 464440272 HULMMGSDEWJVRY-JKSUJKDBSA-N 263.425 3.901 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 464753171 HGQAFEBKYQQQSG-FZMZJTMJSA-N 280.799 3.535 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](CC)CC1 466377184 BUSQPBGFDXUFLB-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C=CCCN(C)C(=O)NC1CCC(c2ccccc2)CC1 466978667 HLZHCFMDRDHMBI-UHFFFAOYSA-N 286.419 3.930 30 20 CHED C=C(C)[C@H](CC(=O)N([C@H](C)CC)[C@H](C)CC)OCC 467210076 BLDWSXKUHFEUBL-KFWWJZLASA-N 269.429 3.783 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 468530692 UHPLTLSHKXRXQD-HZMBPMFUSA-N 296.361 3.926 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(CC)cc1 469939486 QZIPLCOSYUKUKB-UHFFFAOYSA-N 293.370 3.805 30 20 CHED C=CCOCCCN(C)[C@@H]1CCCc2cc(OC)ccc21 470727926 XEDPHMKECCSNAX-GOSISDBHSA-N 289.419 3.597 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C(C)(C)C(F)F 470954182 WTBNBHFLBRUICQ-UHFFFAOYSA-N 273.367 3.873 30 20 CHED C=CCCCCNC(=O)c1ccc2ccccc2c1 471669323 WDQUNRVUMFNATG-UHFFFAOYSA-N 253.345 3.926 30 20 CHED C=CCCCCNC(=O)Nc1ccc2ncsc2c1 473669436 HTEPEUNFHDOSEZ-UHFFFAOYSA-N 275.377 3.774 30 20 CHED C=CCN1CCC(N[C@@H]2CCC[C@@H](CC(C)C)C2)CC1 474707249 IVMPJRZSAQBJEX-FUHWJXTLSA-N 278.484 3.831 30 20 CHED CCCC[C@H](SCC#Cc1ccc(F)cc1)C(=O)OC 475883592 SHSQVAHLIQSYRQ-HNNXBMFYSA-N 294.391 3.642 30 20 CHED C=CCC[C@H](NC[C@](C)(CO)Cc1ccccc1)C1CC1 477865907 UBFTZQLMRXCMQG-RBUKOAKNSA-N 287.447 3.562 30 20 CHED C=CCOCCCSCCOc1cccc(F)c1 479610297 UCSWZNXQEYOKOQ-UHFFFAOYSA-N 270.369 3.530 30 20 CHED CCC(=O)c1ccc(Oc2ccccc2C#N)c([N+](=O)[O-])c1 479849051 HJPCISUIFLTYCF-UHFFFAOYSA-N 296.282 3.851 30 20 CHED CC(C)(C#N)CNC(=O)N[C@H](c1ccccc1)C(C)(C)C 480565705 APSKXIMHJMVAJK-CQSZACIVSA-N 287.407 3.623 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C1CCCCC1)C(F)(F)F 482290939 FWDNJNIWUOCWNM-ZYHUDNBSSA-N 292.345 3.761 30 20 CHED C=CCN(Cc1cc(C(=O)OC)co1)CC1CCCCC1 484571135 NIOOSRFRYPKZLW-UHFFFAOYSA-N 291.391 3.635 30 20 CHED CCc1c(C)sc(NC(=O)C[C@H](C)CC)c1C#N 485512284 BDPUHWJRMNOSLX-SECBINFHSA-N 264.394 3.865 30 20 CHED C=C[C@@H]1CCCCN1c1cc(C)c(Br)cn1 486464380 GBJFFYWHHPWKOK-LLVKDONJSA-N 281.197 3.697 30 20 CHED CC[C@H](CNC(=O)c1ccc(C#N)s1)c1ccccc1 486732252 QZRFXEIGQWOFHJ-GFCCVEGCSA-N 284.384 3.543 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@H](C)c1ccccc1C 488391618 YSWIQVIVZIXEKK-OAHLLOKOSA-N 282.387 3.816 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(C)c(OC(C)C)c1 488449493 AXYUCWJXTGXOSH-AWEZNQCLSA-N 291.391 3.702 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(C)c(Cl)c1 488839132 MSWSRWDIYOZSKD-ZDUSSCGKSA-N 263.768 3.829 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@H](C2CC2)C1)c1ccccc1 489616190 CZIIGFBDQWGLOM-ROUUACIJSA-N 283.415 3.995 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Cl)cc1C 489858730 MDACRTBZCSENPI-UHFFFAOYSA-N 265.784 3.981 30 20 CHED C=CCn1cccc1C(=O)N(CC)c1cccc(C)c1C 490087662 ZQEXABMRCJBFGZ-UHFFFAOYSA-N 282.387 3.958 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1cc2ccccc2o1 490272072 JOTATXCNRNRPGB-UHFFFAOYSA-N 295.338 3.897 30 20 CHED CC(C)c1ccc(CNC(=O)c2sccc2C#N)cc1 497979256 BTPIAHHNDIEUEY-UHFFFAOYSA-N 284.384 3.673 30 20 CHED C=CCCCNC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 503362414 QHUUFXKLCUKKKO-ZIAGYGMSSA-N 266.429 3.809 30 20 CHED C=C(C)CN(CC)Cc1c[nH]nc1-c1cccc(C)c1 505873179 VWCGHBWGJGHUDD-UHFFFAOYSA-N 269.392 3.783 30 20 CHED C=CCN(CC=C)Cc1c(C)nn(-c2ccccc2)c1C 505906462 AHQXANQNURHEGL-UHFFFAOYSA-N 281.403 3.663 30 20 CHED C=CC[C@@H](C)NC/C(C)=C\c1ccccc1COC 511082830 VHZQOVBEFJTLQS-QKXCFHHRSA-N 259.393 3.791 30 20 CHED CC1(C(=O)Nc2ccc(Cl)c(C#N)c2)CCCC1 514740893 XPSPYJRNYNZTSU-UHFFFAOYSA-N 262.740 3.730 30 20 CHED Cc1ccc2oc(CNCc3ccc(C#N)cc3)cc2c1 514992727 RFHDPNRMDCASFP-UHFFFAOYSA-N 276.339 3.903 30 20 CHED C=CC[C@H](C)NC(=O)NCc1ccc(C(C)C)cc1 523880480 GBEGUYJVPHGHOQ-ZDUSSCGKSA-N 260.381 3.574 30 20 CHED CCCC[C@H](CC)CC(=O)NC1(C#N)CCCCC1 524214417 LIFQXEHUFDXWAW-AWEZNQCLSA-N 264.413 3.936 30 20 CHED CC[C@@H](NCc1ccc(C#N)cn1)c1cc(C)ccc1C 527895774 VBORIPRISDKIPL-GOSISDBHSA-N 279.387 3.811 30 20 CHED CCC(C#N)(CC)C(=O)N1CCC[C@@H](CC(C)C)C1 528827353 QVZQYWVZWOZSAB-AWEZNQCLSA-N 264.413 3.601 30 20 CHED C=C[C@@H](CC(=O)N1CCC(F)(F)C[C@H]1C)c1ccccc1 530011713 NCNRPHAYFIPHTB-KGLIPLIRSA-N 293.357 3.993 30 20 CHED C=CCCCCCN(C)[C@@H](C)C(=O)N(C(C)C)C(C)C 532968714 MROQXWVPIXGOHN-INIZCTEOSA-N 282.472 3.699 30 20 CHED C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC3(C)C)c2C#N)C1 533574965 FGPBBQFTOBNSPG-BXKDBHETSA-N 288.416 3.729 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@@H](C)Cc1cccs1 537186364 RYIQCMKMLOCRGW-KBPBESRZSA-N 294.464 3.971 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCc1c[nH]c2ccccc12 539387819 MHVBDRNJMAIDRQ-AWEZNQCLSA-N 299.418 3.754 30 20 CHED CCC1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCC1 540885735 GMRWZNMWZHDTBM-UHFFFAOYSA-N 276.767 3.522 30 20 CHED C=CCSCCNC(=O)Nc1ccc(CC)c(C)c1 540980534 NMDKGUHVIUBSAE-UHFFFAOYSA-N 278.421 3.598 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H]3CCC[C@H]32)c1C#N 541280611 VDMPENNMYBWIBT-BXUZGUMPSA-N 275.783 3.684 30 20 CHED C=CCC[C@@H](C)NCCc1ccc(F)c(F)c1F 543623602 KKQGSXLGUMAKSW-SNVBAGLBSA-N 257.299 3.591 30 20 CHED N#CC1(c2nc(-c3cccc4cnccc34)no2)CCCC1 546495202 NTZCGRIUIGXPKQ-UHFFFAOYSA-N 290.326 3.620 30 20 CHED C=CCn1c(C)nnc1SCc1ccc2ncccc2c1 546727885 FZTHNNJBQFYMGC-UHFFFAOYSA-N 296.399 3.613 30 20 CHED C=CCC(C)(C)c1noc(-c2cnc(CC)s2)n1 551140528 SXWTUKBVCYXLKD-UHFFFAOYSA-N 263.366 3.609 30 20 CHED C[C@H](CCCC(F)(F)F)N=c1[nH]ccc(C#N)c1Cl 553246646 HSWMIXPSGOJZHF-MRVPVSSYSA-N 291.704 3.562 30 20 CHED C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(C)c1C 554867331 NIRSDGATLULUGZ-UHFFFAOYSA-N 299.414 3.967 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccc(Cl)cn2)c1 562292795 FBECJQVRAOWBOT-UHFFFAOYSA-N 279.126 3.839 30 20 CHED C=CCn1cccc1C(=O)Nc1cccc2c1OC(C)(C)C2 562356135 YGSSIBWFWSLBQI-UHFFFAOYSA-N 296.370 3.640 30 20 CHED N#CCc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)cc1 563833804 GTVIHDQEHDHVNQ-GOSISDBHSA-N 294.373 3.881 30 20 CHED CCc1cc(C(=O)NCc2ccc(CC#N)cc2)sc1C 567272509 OSNYFLXNLCPOSK-UHFFFAOYSA-N 298.411 3.615 30 20 CHED Cc1ccccc1CCN[C@@H]1CCc2ccc(C#N)cc21 568332717 NODGIHHKHBAYEF-LJQANCHMSA-N 276.383 3.686 30 20 CHED C=CCC[C@@H](C(=O)NCc1ccc(C)cn1)c1ccccc1 568985590 BMVZISVFWGRXGG-GOSISDBHSA-N 294.398 3.756 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@@]12CCC[C@H]1C2 569226861 VMYODBWHADBCMG-BLLLJJGKSA-N 286.400 3.821 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1C[C@H](C)CC[C@@H]1C 569857682 JWXYSYVWUSLRKC-KGLIPLIRSA-N 288.439 3.747 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)CC3 569898967 HOPHZRCKIBFZPV-RBSFLKMASA-N 293.414 3.616 30 20 CHED C=CCCOCCN[C@@H](Cc1ccccc1Cl)C1CC1 574210515 LLCQZAPFXBHHOQ-KRWDZBQOSA-N 293.838 3.843 30 20 CHED C=CCCCC(=O)N1CC[C@@H](c2ccc(CC)cc2)C1 574594431 TUFCBVLPZFQHLW-QGZVFWFLSA-N 271.404 3.921 30 20 CHED CC(C)=CCC[C@@H](C)CC(=O)N1CCC(C#N)CC1 575407741 XFHOJLUYFJKFJW-CQSZACIVSA-N 262.397 3.521 30 20 CHED COc1cc(CNc2cccc3ccncc23)ccc1C#N 577047686 WYZLPHJUZFPGLE-UHFFFAOYSA-N 289.338 3.727 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)Nc1ncc(C2CCCCC2)s1 578149659 ZNIUYKOOCFLASE-ZUZCIYMTSA-N 289.404 3.679 30 20 CHED Cc1cccc(Cl)c1CS(=O)(=O)CCC(C)(C)C#N 579087070 OBNKZZGRAQTQKW-UHFFFAOYSA-N 299.823 3.503 30 20 CHED C[C@H]1CCCC[C@@H]1CNC1(c2cccc(C#N)c2)CC1 579867494 OOKOMFKTOHCIJY-GOEBONIOSA-N 268.404 3.963 30 20 CHED CC(C)(C)CCCC(=O)N1CCC(CCC#N)CC1 583996737 ZZBCKHLTLZDERC-UHFFFAOYSA-N 264.413 3.745 30 20 CHED Cc1cccc([C@H](C)[S@](=O)CCC(C)(C)C#N)c1 584873896 UCDOJBBYWIQVDJ-SCLBCKFNSA-N 263.406 3.745 30 20 CHED CC[C@@H]1CCC[C@@H](NC(=O)N2CCC(CCC#N)CC2)C1 591942271 MEIUTNRCNVFVJC-GDBMZVCRSA-N 291.439 3.681 30 20 CHED CC[C@@H](C#N)C(=O)NCc1cccc(-c2cccc(C)c2)c1 593452493 YPZKHNUGYQDYMX-INIZCTEOSA-N 292.382 3.828 30 20 CHED N#Cc1cc(-c2ccc(OC[C@@H]3CCCO3)cc2)ccc1F 593953813 QZRCVJBCBZYHSY-KRWDZBQOSA-N 297.329 3.922 30 20 CHED CCO[C@@H]1CCN(c2cccc(C(F)F)c2C#N)C[C@@H]1C 594583527 SQFRTYUTZLXIAQ-XHDPSFHLSA-N 294.345 3.747 30 20 CHED N#CCCCn1cc(-c2cccc(C3CCC3)c2)nn1 594649247 HUTRJSVZNNCHDN-UHFFFAOYSA-N 266.348 3.516 30 20 CHED Cc1ccccc1-n1ccnc1SCC1(CC#N)CC1 594880480 KJHZYIVHHZUGEN-UHFFFAOYSA-N 283.400 3.967 30 20 CHED N#Cc1ccc(CCN(Cc2cccs2)C2CC2)cc1 595285883 AXYLVOZZTYBBDF-UHFFFAOYSA-N 282.412 3.827 30 20 CHED CCOc1ccc(CN(C)CCc2ccc(C#N)cc2)cc1 595292766 VZXSVGWTFYRDHY-UHFFFAOYSA-N 294.398 3.631 30 20 CHED C[C@@H](C#N)N(Cc1csc(-c2cccs2)n1)C1CC1 595718219 RWKGXNHYEUQTFR-JTQLQIEISA-N 289.429 3.748 30 20 CHED N#CCC1(CSCCCOc2cccc(C#N)c2)CC1 596344182 DXENDDKDJHNDET-UHFFFAOYSA-N 286.400 3.754 30 20 CHED CN(Cc1cccc2ccccc12)C[C@@H](O)CC(C)(C)C#N 598585665 IOBHKZMJHVFAGT-KRWDZBQOSA-N 296.414 3.572 30 20 CHED COc1ccc(NC(=O)NCC(C)(C)C#N)c2ccccc12 599887542 GQNPDFQVEVTVPB-UHFFFAOYSA-N 297.358 3.520 30 20 CHED N#Cc1cc(F)ccc1-c1ccc(C[C@@H]2CCNC2)cc1 600788370 JZUZXZQILWFLCU-AWEZNQCLSA-N 280.346 3.516 30 20 CHED C[C@H](CCC#N)CNCc1csc2ccccc12 602515725 CRZSNHYAPAHSNH-GFCCVEGCSA-N 258.390 3.931 30 20 CHED CC[C@@H](CNC[C@@H](C)CCC#N)Oc1cccc(C)c1 602519413 DWBMVMLQVPYIIC-HOTGVXAUSA-N 274.408 3.682 30 20 CHED CC[C@@H](NCc1cccc(C#N)n1)c1ccc(Cl)s1 602544399 ASKPEHUNDPNGKC-GFCCVEGCSA-N 291.807 3.909 30 20 CHED COCc1cc(C#N)ccc1NC[C@H](C)c1c(C)noc1C 603319275 OMKNMUMWLFFMET-NSHDSACASA-N 299.374 3.525 30 20 CHED N#CCc1cccc(C(=O)NCCCCc2ccccc2)c1 603733521 ULJQVZWBBYPWAJ-UHFFFAOYSA-N 292.382 3.505 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CCc1ccc2ccccc2c1 608825013 VOXXTACHDZPLJL-SFHVURJKSA-N 294.398 3.827 30 20 CHED CC[C@H](C)Oc1cc(CNCCCCC#N)ccc1OC 609140465 CCSZYMKSVSSMKS-AWEZNQCLSA-N 290.407 3.656 30 20 CHED C[C@H]1c2ccccc2OCCN1Cc1cc(C#N)cs1 611262731 MTFRPLALGJQYCZ-LBPRGKRZSA-N 284.384 3.575 30 20 CHED N#Cc1cccc(OCCNc2ccc(C3CC3)cc2)c1 611305587 AEKUASNYPDKJCL-UHFFFAOYSA-N 278.355 3.927 30 20 CHED N#Cc1ccccc1-c1ccc(CN2CC=CCC2)cc1 611517220 JCFSSHITSVRVCB-UHFFFAOYSA-N 274.367 3.987 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCc2cccs2)n1 613409419 ZPDUGZUPBADTPM-UHFFFAOYSA-N 271.389 3.924 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccccc2C1 618803410 WVWMXGBXFRBTEU-ICSRJNTNSA-N 288.394 3.693 30 20 CHED C=CC1CCN(C(=O)Nc2cccc3oc(C)nc23)CC1 630347075 FXFIYFSTJZNBMT-UHFFFAOYSA-N 285.347 3.566 30 20 CHED C=CCCC(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 641473765 ZSJAYDMPCMJDSD-QWHCGFSZSA-N 283.293 3.644 30 20 CHED C=CCC(F)(F)c1nc(-c2cccc3ncccc23)no1 645594211 UUAGZBXGMOLONB-UHFFFAOYSA-N 287.269 3.953 30 20 CHED C=CCNC(=O)Nc1ccc(OCCC(C)C)cc1F 654318729 QRXGBQGXFRYPHR-UHFFFAOYSA-N 280.343 3.558 30 20 CHED C=CCN(Cc1csc(CCCC)n1)[C@H](C)COC 661244562 VEYXQFUMSKVOCH-CYBMUJFWSA-N 282.453 3.509 30 20 CHED C=C(CNC(=O)Nc1ccc(C)cc1F)c1ccccc1 672600006 CYDPREHOHDHMEJ-UHFFFAOYSA-N 284.334 3.969 30 20 CHED C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC(F)(F)C1 675727989 GIWCEKXCEPVIOL-CQSZACIVSA-N 294.345 3.572 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCc2c(C)cccc21)OCC 677307333 YKEYSDRQGVOSKP-KRWDZBQOSA-N 287.403 3.646 30 20 CHED CC#CCCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 680885363 NSSOVGLTCGOZSY-MRXNPFEDSA-N 266.388 3.761 30 20 CHED C=CCCCCCN1CCc2ccc(O)cc2CC1 683783070 CMZMINIFONFSCR-UHFFFAOYSA-N 259.393 3.539 30 20 CHED C=CCOc1ccc(C=NNCCCC)cc1Cl 727254960 FSGBCYADKHZECL-UHFFFAOYSA-N 266.772 3.628 30 20 CHED c1ccc2c(c1)C(=NNC1CCCC1)c1ccccc1-2 727652646 NPPJXUUGFNLOIY-UHFFFAOYSA-N 262.356 3.952 30 20 CHED CC(C)[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccccc2C#N)C1 728854735 RGROOLFRFJWECB-LELNBSJKSA-N 296.414 3.902 30 20 CHED CC(=NNC(=S)N(C)C)c1ccc(-c2ccccc2)cc1 731560508 SHHKVSCOSGZONH-UHFFFAOYSA-N 297.427 3.514 30 20 CHED CCOc1cccc(/C=N\C[C@@H]2CCc3ccccc32)c1O 731937673 MNQPERSRSHXBSK-HYTQYMIGSA-N 295.382 3.940 30 20 CHED CC(=NNc1cccc2c1CCCC2)c1nccs1 732621631 CPGJLGLSHJDIDL-UHFFFAOYSA-N 271.389 3.858 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cnn(C(C)C)c1)C2=O 732713787 HDCIFZUHVGBKDH-VIZOYTHASA-N 266.344 3.595 30 20 CHED Cc1ccsc1C(=O)/C=C/c1ccc(C#N)cc1 733749756 XACVUECBPROYFL-VOTSOKGWSA-N 253.326 3.824 30 20 CHED C=CC[C@@H](NC(=O)Nc1ccccc1F)c1ccncc1 734515633 OCROBNCUAZHIPK-CQSZACIVSA-N 285.322 3.660 30 20 CHED C=CC[C@H](NC(=O)N(CCC)CCC)c1ccncc1 734681318 YYXHWFSQPZPILI-HNNXBMFYSA-N 275.396 3.530 30 20 CHED Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(C#N)c(Cl)c1 734833660 RGRIKPJHHOSOMT-INIZCTEOSA-N 298.777 3.800 30 20 CHED c1ccc(C2CCC(=NNc3cccnn3)CC2)cc1 735976500 IVZALWOYHRJGFB-UHFFFAOYSA-N 266.348 3.602 30 20 CHED C=C(Cl)CNC(=O)N(CC)[C@H](CC)c1ccccc1 736398963 JYNSMNLZSKTKBB-CQSZACIVSA-N 280.799 3.922 30 20 CHED Fc1ccccc1-c1ccc(C=NNCC(F)F)s1 740617736 NWHKXDJFURZZKD-UHFFFAOYSA-N 284.306 3.743 30 20 CHED CC(=NNc1nccnc1Cl)c1cc(C)c(F)c(C)c1 741459438 ANTKPNMACKYTLM-UHFFFAOYSA-N 292.745 3.722 30 20 CHED Cc1cccc2c(CC/N=C\c3ccccc3O)c[nH]c12 741466530 UTZXCEQWTJKTGV-ODLFYWEKSA-N 278.355 3.844 30 20 CHED CC(=NN[C@H](C)c1ccc(C(C)C)cc1)[C@H]1CCOC1 741761407 CSAUUVHPQQXJDZ-DYVFJYSZSA-N 274.408 3.873 30 20 CHED CCCCCCCCC(=O)N1CC[C@@H](N(CC)CC)C1 742901813 QWOWNTANDCEROW-MRXNPFEDSA-N 282.472 3.680 30 20 CHED C#CCN(C(=O)/C=C(\C)c1ccccc1)C1CCCCC1 743689851 FVCACTZUBZNBPH-FOCLMDBBSA-N 281.399 3.884 30 20 CHED C#CCCCNC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 743692698 WEDCFZBFFNGIGD-QZTJIDSGSA-N 298.430 3.501 30 20 CHED C[C@@H]1CC(=NNc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 747744328 LYBFLXOGDILYBC-QWRGUYRKSA-N 261.325 3.819 30 20 CHED CC(C)CCCCCC(=O)N(CCC#N)CC(C)C 747907460 IWBFSGLPYMHKQK-UHFFFAOYSA-N 266.429 3.991 30 20 CHED C=CCCCC(=O)n1ccccc1=NC1CCCCC1 748667680 NNWJYJKLHPXNCE-UHFFFAOYSA-N 272.392 3.718 30 20 CHED CCCCCCCCN1CCO[C@@H]2C[C@@H](N(C)C)CC[C@@H]21 749535092 GTXDFQSPHYWYKX-OKZBNKHCSA-N 296.499 3.530 30 20 CHED COc1ccc(NN=C(C)c2ccc(C)cc2)cc1 750926487 ZDFVLQPYXMCNEJ-UHFFFAOYSA-N 254.333 3.840 30 20 CHED C=C(Cl)CN1CCC(c2ccc(F)cc2)CC1 752093267 JGFWFTPZIPPSPB-UHFFFAOYSA-N 253.748 3.758 30 20 CHED CCN(C(=O)[C@H](C)c1ccc(C)o1)c1ccc(C#N)cc1 753177842 BTMFLLFLCWOAAP-CYBMUJFWSA-N 282.343 3.616 30 20 CHED CCc1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)cc1 753716764 GDGXDTKEUVOSCI-BQYQJAHWSA-N 268.312 3.556 30 20 CHED N#Cc1cc(COC(=O)c2cc3ccccc3s2)ccn1 754728734 WEQBBXSUABODNX-UHFFFAOYSA-N 294.335 3.525 30 20 CHED CCCCC=NNc1ncnc2sc3c(c12)CCC3 755520968 JARFAOKXKOZGOD-UHFFFAOYSA-N 274.393 3.768 30 20 CHED C#CC[C@@H](NC(=O)NCc1ccc(C)s1)c1ccccc1 757009555 VODLKNXBIJMCRX-MRXNPFEDSA-N 298.411 3.620 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccc(-c2ccccc2)cc1F 757200089 VUTWBIZLVWSBOA-LBPRGKRZSA-N 297.333 3.774 30 20 CHED CC(=NNc1ccccc1F)c1cc(F)cc(F)c1O 757460404 UXMWWTWCSZILKJ-UHFFFAOYSA-N 280.249 3.646 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(-n3cccn3)c2)o1 760266749 ZZCXYHILBXATTB-CLFYSBASSA-N 292.338 3.924 30 20 CHED CC(=NNc1cccc(C#N)c1)c1nc2c(s1)CCCC2 761253147 JCIGDHQWMFUGLA-UHFFFAOYSA-N 296.399 3.730 30 20 CHED C#CCCCCCc1nc([C@H]2CCOc3ccccc32)no1 762072696 VRKQFORKXQCROY-HNNXBMFYSA-N 296.370 3.720 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1c[nH]c2cccc(F)c12 763339000 OTSRODOZCBZQBY-UHFFFAOYSA-N 298.277 3.661 30 20 CHED COc1ccsc1/C=C/C(=O)c1ccc2c(c1)CCO2 764434516 ZUDAKEFSGHTCBR-HWKANZROSA-N 286.352 3.588 30 20 CHED C=CCN(Cc1ccc(Oc2ccccc2)nn1)C(C)C 766240219 XGYKNFPFCGBPHL-UHFFFAOYSA-N 283.375 3.665 30 20 CHED C#CCCCSc1nnc(Nc2ccccc2F)s1 766284260 ISDJRMVMNLAWRC-UHFFFAOYSA-N 293.392 3.926 30 20 CHED Cc1cc(C=NNc2ccc3ccccc3n2)ccc1C#N 766428888 GHCHEQLPJDDYHS-UHFFFAOYSA-N 286.338 3.861 30 20 CHED CCC(=O)c1ccc(OC(=O)c2cccc(C#N)c2)c(F)c1 766538509 RASWWYWHKCUPAS-UHFFFAOYSA-N 297.285 3.509 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CCC(C)(C)C2)c1 768290049 PPMQHFAAWRWCNW-CQSZACIVSA-N 272.417 3.533 30 20 CHED CCC[C@H](C)N(C)Cc1ccc(N(C)CCC#N)cc1 768339714 VEBHDSOJPZZWST-HNNXBMFYSA-N 273.424 3.657 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2ccccc2C(=O)O)C1 768353917 CEVBGWJMHCYNBF-NEPJUHHUSA-N 260.337 3.609 30 20 CHED CC[C@H](C)[C@H](C)C(=O)OCCCCC(C)(C)C#N 768850158 YGIBQJBCJQVTIJ-STQMWFEESA-N 253.386 3.932 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])c(C)c1 772795839 FYENDAVUUJNMJW-XBXARRHUSA-N 297.310 3.813 30 20 CHED Cc1ccc(NC(=S)NN=C2CC3(CCC3)C2)cc1 772833717 TYVNZKSDHZYMKD-UHFFFAOYSA-N 273.405 3.602 30 20 CHED C=C(Cl)CN[C@H](C)[C@H](C)c1ccc(OC)cc1 773005052 NNXGWMRDTCXGOR-NWDGAFQWSA-N 253.773 3.529 30 20 CHED CCc1c(C(=O)/C=C/c2ccn(C)n2)oc2ccc(C)cc12 773154393 MLTHNAOAKXEKAV-VOTSOKGWSA-N 294.354 3.933 30 20 CHED C#C[C@H](C)N(C)Cc1ccc(-c2ccccc2OC)cc1 775179826 SDXAFOSKFXBPJD-HNNXBMFYSA-N 279.383 3.816 30 20 CHED CO[C@H](c1ccccc1F)[C@@H](C)/N=C/c1ccccc1O 775628939 BYPLWKUQQLLOBG-NONUJWSISA-N 287.334 3.726 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(CC#N)cc2)C1 776113188 BXLYMFYFPPVOSW-CZUORRHYSA-N 271.360 3.622 30 20 CHED N#Cc1ccccc1/C=C1\CCc2ccc(F)cc2C1=O 776194007 XLNAOZCIDPGWOX-NTEUORMPSA-N 277.298 3.910 30 20 CHED Cc1ccsc1C(=O)O[C@H](C#N)C1CCCCC1 776361030 INZIJRSVXJTKSS-GFCCVEGCSA-N 263.362 3.686 30 20 CHED COc1ccc([C@H](C)CC(=O)OCCC(C)(C)C#N)cc1 776394263 WESVEDZPSDIFES-CYBMUJFWSA-N 289.375 3.672 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1F 776726552 KQHDDYJOFPROTC-FPYGCLRLSA-N 269.250 3.733 30 20 CHED CC(=NOCCC(F)(F)F)c1cccc([N+](=O)[O-])c1C 777459146 HIRDCOWTYNLXTN-UHFFFAOYSA-N 290.241 3.596 30 20 CHED CCN(C)c1ccc(C(C)=NOCCC(F)(F)F)cc1 777460305 WIDOGEZTXUEQDG-UHFFFAOYSA-N 288.313 3.836 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 777912105 RPBOWGRDFJLTEX-SOFGYWHQSA-N 285.274 3.938 30 20 CHED C=CC[C@@H](C(=O)OCC(=O)c1ccccc1)c1ccccc1 778427269 KUODMLFCUIINSZ-QGZVFWFLSA-N 294.350 3.772 30 20 CHED Cc1c(C(=O)/C=C/c2cc(Cl)ccc2Cl)cnn1C 778518139 ROIYHQQISYNZKB-ZZXKWVIFSA-N 295.169 3.931 30 20 CHED CC/C(C)=C(\C)C(=O)Oc1c(Cl)cc(C#N)cc1OC 779740793 IAWGASRGBXWDOC-MDZDMXLPSA-N 293.750 3.872 30 20 CHED Cc1cc(NN=Cc2ccc(Cl)c(C)c2)nc(C)n1 779772073 FUZJCSAGSNQAIW-UHFFFAOYSA-N 274.755 3.501 30 20 CHED Cc1cc(F)ccc1-c1ccc(C=NN=c2cc[nH]cc2)o1 779808646 NSHAAGVLNRJEJG-UHFFFAOYSA-N 295.317 3.657 30 20 CHED C#CCCCCCC(=O)Nc1c(C)cc(N(C)C)cc1C 779993632 LENFZLVSFQTPJK-UHFFFAOYSA-N 286.419 3.892 30 20 CHED COc1ccc(C)cc1/C=C1\Cc2cc(O)ccc2C1=O 780186811 OEFCCWIKNDKWCD-NTEUORMPSA-N 280.323 3.532 30 20 CHED N#CCCCNC(=S)Nc1cc(Cl)cc(Cl)c1 783756670 LJRIMTWIHDBHJN-UHFFFAOYSA-N 288.203 3.584 30 20 CHED O=[N+]([O-])c1ccc(C=NNc2ccc(F)cc2)c(Cl)c1 783783454 JSECSSGGXCQQDD-UHFFFAOYSA-N 293.685 3.833 30 20 CHED C=CCC[C@H](C)Nc1cccc(CCC(=O)OC)c1 786579006 ZVHLUKFVLLCKCY-ZDUSSCGKSA-N 261.365 3.559 30 20 CHED C#CCC1(C(=O)Nc2cccc(F)c2)CCCCC1 788141807 IZQYIZCUVVLBTJ-UHFFFAOYSA-N 259.324 3.738 30 20 CHED CC(=NNCC(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1 788428965 XKVSINUHJSYDOJ-JGVFFNPUSA-N 278.755 3.736 30 20 CHED CN(C)[C@H]1CCCC(=NNc2c(F)cccc2Cl)C1 788441662 UWFOHGOIUGSSEI-NSHDSACASA-N 283.778 3.751 30 20 CHED COc1cccc([C@H](C)CCCC(=O)OCCCC#N)c1 789045736 DQOHYYCBEQGYGW-CQSZACIVSA-N 289.375 3.816 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(C)s1 789076441 JSVNFRYRMQYKKK-UHFFFAOYSA-N 297.383 3.734 30 20 CHED CC[C@@H](C)NN=C(C)Cc1nc2ccccc2s1 790183252 KHJRISIMMIUVHO-SNVBAGLBSA-N 261.394 3.603 30 20 CHED Cc1cccnc1NN=C[C@@H]1C[C@H]1c1ccccc1 790185144 HPSXWSUWVFKGMG-GJZGRUSLSA-N 251.333 3.591 30 20 CHED CC[C@@H](C)NN=C1CCCCC[C@@H]1NC(=O)OC(C)(C)C 790186875 CLEZRCDZWYDTEZ-OLZOCXBDSA-N 297.443 3.588 30 20 CHED CC(=NNc1nccn1C)[C@H](C)c1nc2ccccc2s1 790299334 CIIKXOJKABFEQQ-JTQLQIEISA-N 299.403 3.621 30 20 CHED C[C@H](NC(=S)Nc1ccsc1)c1cccc(C#N)c1 790320402 NKRNNTGUOUVVJQ-JTQLQIEISA-N 287.413 3.667 30 20 CHED C#C[C@@H](CCC)NC(=O)N(CCC)CCc1cccs1 791058154 DHTIFILGQRRDIX-AWEZNQCLSA-N 292.448 3.514 30 20 CHED CC(C)Oc1ccccc1C=NN[C@H](C)C(C)(C)C 793113633 BJVLSAFLYCIYCT-CYBMUJFWSA-N 262.397 3.832 30 20 CHED Cn1cc(C=NNc2cccc(C#N)c2)c2cc(F)ccc21 794850682 KLSRKLVVNXIUHB-UHFFFAOYSA-N 292.317 3.635 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1cc(F)ccc1O 798370204 GALRYCOGXADREQ-XQRVVYSFSA-N 288.322 3.513 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccnn2-c2ccccc2)c1 798372991 TWEXDCZAOOLYSD-KTKRTIGZSA-N 299.333 3.640 30 20 CHED CCCCCCCN[C@@H](C)c1ccnc(OC)c1 805834062 HQJSJPUMTOAQQR-ZDUSSCGKSA-N 250.386 3.711 30 20 CHED C[C@H](NCCO[C@H](C)C#N)c1ccc(F)c2ccccc12 808768207 JKURJJQCOKKRML-OLZOCXBDSA-N 286.350 3.558 30 20 CHED C#C[C@H](N[C@H](C)[C@H](C)c1ccc(OC)cc1)C(C)(C)C 809781789 APOZVZHBDDWODO-VBQJREDUSA-N 273.420 3.825 30 20 CHED C#Cc1ccccc1CC(=O)N[C@H](CCC)c1ccccc1 809964848 SQXGYXKQIWVUPW-LJQANCHMSA-N 291.394 3.868 30 20 CHED N#CCC1(OC(=O)c2ccc(-c3ccccc3)o2)CCC1 810856979 IZLNUOHMKBNSNR-UHFFFAOYSA-N 281.311 3.940 30 20 CHED Cc1csc(NC(=O)C2(F)CCCCC2)c1C#N 813249967 JMLOVWQFYLSNNZ-UHFFFAOYSA-N 266.341 3.539 30 20 CHED CCC(=NNc1ccccn1)c1ccccc1OC(F)F 814731894 NQTZQDBQEOASNP-UHFFFAOYSA-N 291.301 3.909 30 20 CHED CC(C)c1c(Cl)ncnc1NN=C1CC[C@H](C)C1 814921771 AZFOCTNKNLTSHU-VIFPVBQESA-N 266.776 3.841 30 20 CHED CCCCCCCCC(=O)N1Cc2ccncc2C1 816580693 QDODKSMRRDTQGQ-UHFFFAOYSA-N 260.381 3.674 30 20 CHED CC[C@@](C)(C=NNc1cc(Cl)nc(Cl)c1)OC 819828974 XFLLBMXEWXJOBM-NSHDSACASA-N 276.167 3.601 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@@H]1CSc2ccccc21 820905912 ZIYRWEHVDIBWTH-CHWSQXEVSA-N 275.417 3.594 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2cccc(O)c2)CCCCC1 821797710 YHPLYPZYYIZHOK-AWEZNQCLSA-N 287.403 3.891 30 20 CHED CCCCCCCCCN(C)C(=O)Cc1cscn1 823167717 HAWGZWONDBZHHO-UHFFFAOYSA-N 282.453 3.895 30 20 CHED CC(C)C#CC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 830447229 AMPOZKPDQGXKOZ-UHFFFAOYSA-N 296.197 3.538 30 20 CHED Cc1c(C#N)cccc1NC(=O)CC[C@@H]1CC1(Cl)Cl 830628726 VFEGGGJTZYWFAC-LLVKDONJSA-N 297.185 3.779 30 20 CHED CC(C)[C@@H]1CCCCC1=NN[C@@H](C)C(F)(F)F 835000659 LMZPTGITYBKQIO-UWVGGRQHSA-N 250.308 3.729 30 20 CHED Cc1cc(CNC(=O)C#CC2CC2)ccc1-c1ccccc1 837553448 XKHUBSLUINSIKJ-UHFFFAOYSA-N 289.378 3.692 30 20 CHED N#Cc1cc(C(=O)OC[C@@H]2CCCCC2(F)F)ccc1F 837712061 ULYBYBOMHGWOEM-LBPRGKRZSA-N 297.276 3.680 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@H](CC=C)c1ccccc1 839038736 LKROMSOLLZWDPC-GDBMZVCRSA-N 256.345 3.691 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(-c3ccccc3)no2)C1 839048150 LMMAGOLSXOXRHM-TZMCWYRMSA-N 296.326 3.581 30 20 CHED Cc1nc2ccccc2cc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 839058390 OQRXLJKTYZYYGD-DZGCQCFKSA-N 294.354 3.782 30 20 CHED Cc1ccnc2ccc(C(=O)O[C@H]3CCC[C@@H](C#N)C3)cc12 839063020 PFXALNLJKVRIDK-HIFRSBDPSA-N 294.354 3.782 30 20 CHED C=CCC(CC=C)C(=O)N(c1ccccc1)C1CC1 839424022 ZKLQSHZURKNTRR-UHFFFAOYSA-N 255.361 3.950 30 20 CHED CC[C@H](O)CNN=C1CCC[C@@H](c2cccc(Cl)c2)C1 841639754 UVSHAHGBQZPPBA-CJNGLKHVSA-N 294.826 3.714 30 20 CHED CC(=NN(C)[C@@H](C)CO)c1ccc(Oc2ccccc2)cc1 842545014 YQPWYLXWSMGZKE-AWEZNQCLSA-N 298.386 3.516 30 20 CHED C#CC1CCN(C(=O)[C@@](C)(CC)CCCCC)CC1 843705617 JNSMZNLSGMCFSD-KRWDZBQOSA-N 263.425 3.855 30 20 CHED C=C(CC)CN1CCC(CCNC(=O)OC(C)(C)C)CC1 844443125 GQOBFCXLTRQLRB-UHFFFAOYSA-N 296.455 3.579 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc(COC(C)(C)C)cc1 844557203 SKTJHDJMPJSIRQ-LBPRGKRZSA-N 292.379 3.629 30 20 CHED CC[C@@H](C)c1ccc(NC(=N)NCCCCC#N)cc1 849003217 XBLMQKMBCLBUBM-CYBMUJFWSA-N 272.396 3.830 30 20 CHED CCCCCCCCNC(=N)NCc1ccc(F)cc1 849056545 WWDVQNKLOKUEMV-UHFFFAOYSA-N 279.403 3.800 30 20 CHED C=C(Cl)CNc1cccc(CC(=O)OC(C)(C)C)c1 849315447 VEXYQZAWYOZQCR-UHFFFAOYSA-N 281.783 3.735 30 20 CHED C=CCCN[C@H](C)c1cc(Cl)c(N)c(Cl)c1 850501617 FLNCWOPEZJAZQQ-MRVPVSSYSA-N 259.180 3.802 30 20 CHED CCSc1cccnc1C(=O)O[C@H](C)CC(C)(C)C#N 851204724 CMXDEMRVAGRXQY-LLVKDONJSA-N 292.404 3.679 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H](CC=C)C1)c1ccccc1 852228645 ZJZXOWQLINHYCT-WMZOPIPTSA-N 296.414 3.749 30 20 CHED CC[C@H](C)c1ccc(NC(=O)CN(C2CC2)[C@H](C)C#N)cc1 852480045 MHGPHVAXNULJSO-UONOGXRCSA-N 299.418 3.515 30 20 CHED CC1(C)C[C@H](O)c2cc(-c3cccc(F)c3C#N)ccc2O1 854194537 FUTAAXGOTOXOBY-INIZCTEOSA-N 297.329 3.959 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NN[C@H]1CCO[C@H](C)C1 872364575 OGWQBVUIUAPKQW-ZBFHGGJFSA-N 299.418 3.634 30 20 CHED CSC(C)(C)CCN(C)Cc1ccc(C#N)cc1 876574722 YSRGAWVEEBBIHA-UHFFFAOYSA-N 262.422 3.522 30 20 CHED CC[C@@H]1C[C@@H](C)CN1CC[C@@](C#N)(C(C)=O)c1ccccc1 878155119 KVSNRGMBBUFING-ATZDWAIDSA-N 298.430 3.547 30 20 CHED C=CC(C)(C)CC(=O)NC[C@H]1CCCCC1(F)F 880158787 BQUKYEIKZLBAAP-LLVKDONJSA-N 259.340 3.530 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc([C@@]2(C)COC(=O)N2)c1 883328316 PIPGADUBAONENP-GDZNZVCISA-N 288.391 3.654 30 20 CHED Cc1ccnc(NN=C2CCC(C)(N3CCCC3)CC2)c1 884435125 LPYFCKRBYIINSX-UHFFFAOYSA-N 286.423 3.586 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(-c2ccon2)c1 887103379 WTAAHCLUVFJZCO-LBPRGKRZSA-N 270.332 3.882 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1ccc(CC#N)cc1 887961000 ZQUQPWRKMJFSDT-UHFFFAOYSA-N 292.382 3.642 30 20 CHED COCCCCc1cccnc1N[C@@H](C)CC(C)(C)C#N 894576704 FBAIUCMYEJERIW-AWEZNQCLSA-N 289.423 3.791 30 20 CHED C=C(CNC(=O)N(Cc1ccoc1)C1CC1)c1ccccc1 894849177 CGLDJBATOISQFP-UHFFFAOYSA-N 296.370 3.667 30 20 CHED C=C1CC(c2noc(Cc3c[nH]c4cc(C)ccc34)n2)C1 896882798 XYXFNRPLVGZINI-UHFFFAOYSA-N 279.343 3.884 30 20 CHED Cn1cc(/C=C2/CCc3ccccc3C2=O)c(C2CC2)n1 899335998 NVPUNCFPSXFDEJ-UVTDQMKNSA-N 278.355 3.510 30 20 CHED C=CCCC[C@@H](NCc1ccc(CC(C)C)cc1)C(=O)O 900068804 OXWYOTGAEXTWAS-QGZVFWFLSA-N 289.419 3.784 30 20 CHED CC[C@H](NC[C@H](O)c1ccccc1C)c1cccc(C#N)c1 902803738 XYNZETNEMPSTFF-OALUTQOASA-N 294.398 3.641 30 20 CHED CC[C@H](NCC(C)(C)C#N)c1cccc(Cl)c1O 903101115 ABFHHNCCZOKMKO-LBPRGKRZSA-N 266.772 3.636 30 20 CHED C=CCCC[C@@H](N)c1nc([C@@H]2CCc3ccccc3C2)no1 904613990 BYUQZSDUGDRRNP-HZPDHXFCSA-N 297.402 3.698 30 20 CHED N#CC1(CCCCOC(=O)CC[C@H]2CCCCO2)CCC1 909004197 RGAMNXBTCUQIEN-OAHLLOKOSA-N 293.407 3.743 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 910171881 XWRSNXGIWIAWAM-QWHCGFSZSA-N 293.313 3.551 30 20 CHED N#CCCCCOC(=O)c1ccc2ccccc2c1 912957549 GPPYSLPTQGXNDY-UHFFFAOYSA-N 253.301 3.690 30 20 CHED Fc1cccc(C=NNc2ncccc2C(F)(F)F)c1 915050985 IRBSWXFITMDTQU-UHFFFAOYSA-N 283.228 3.686 30 20 CHED CC(=NNc1ccccc1)c1ccc(N(C)C)cc1 916247523 ZUTIRWTVMNLJAX-UHFFFAOYSA-N 253.349 3.589 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1nc(C)sc1C 916268876 CHFGIAQIKGXBLN-UHFFFAOYSA-N 290.348 3.504 30 20 CHED C=C(C)COC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 917265147 JGYNZPSLNNTHRQ-AWEZNQCLSA-N 297.354 3.955 30 20 CHED CCCCNN=Cc1cccc(OC2CCCC2)c1 917549077 VQGHCJVQAORYTM-UHFFFAOYSA-N 260.381 3.732 30 20 CHED C#CCN(CC)C(=O)NC[C@@H](C)CCCCCCC 919910088 LNOWDXQGEKUANI-HNNXBMFYSA-N 266.429 3.648 30 20 CHED CC(CCc1ccco1)=NNc1cc(F)cc(F)c1 920375183 TXXFHQQCJUXHEY-UHFFFAOYSA-N 264.275 3.978 30 20 CHED Fc1cccc(NN=Cc2ccc(N3CCCCC3)o2)c1 920384380 SQPNGDPDKGVRTA-UHFFFAOYSA-N 287.338 3.855 30 20 CHED C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCCC(F)(F)C1 926361843 PLFIHIORXSIPIY-NWDGAFQWSA-N 258.356 3.730 30 20 CHED C=CC(C)(C)CN[C@@H](c1ccccn1)c1ccccc1OC 926523491 ZHPKNPUWBGICGB-GOSISDBHSA-N 296.414 3.981 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc([N+](=O)[O-])cc1 926893103 PYLPBUPCBBSJRJ-VXGBXAGGSA-N 275.352 3.574 30 20 CHED CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@H](C#N)C2)cc1 928222721 VEYAPIKEXIVSHS-MAVJXHJTSA-N 296.414 3.975 30 20 CHED CC(C)(C#N)CCN[C@@H]1CC2(CCC2)Oc2ccccc21 932215351 XRNZDYUMSSEATM-OAHLLOKOSA-N 284.403 3.962 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 936029380 AUPSLSGGKGCYFV-BEFAXECRSA-N 299.414 3.585 30 20 CHED Cc1ccc([C@H](C)N(C)c2cccc(CC#N)n2)c(C)c1 1116636517 OOUBTYUZCCUBQR-HNNXBMFYSA-N 279.387 3.962 30 20 CHED CC1(C)C(c2nnc(COc3ccccc3C#N)o2)C1(C)C 1117202100 XPZQNALGFPMENL-UHFFFAOYSA-N 297.358 3.670 30 20 CHED CC(C)(C)C#Cc1nnc(-c2ccc(Cl)cc2F)o1 1118377345 UVHPTCHHBINKHK-UHFFFAOYSA-N 278.714 3.927 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccsc1C#N 1126826570 WKOFWAGGVNQDAW-NSHDSACASA-N 264.394 3.708 30 20 CHED C[C@@H]1C[C@@H](CCNc2cc(C#N)cnn2)CC(C)(C)C1 1163192401 WODRLNZCSUINTR-CHWSQXEVSA-N 272.396 3.613 30 20 CHED CCN(Cc1cc(C#N)ccn1)c1ccccc1Cl 1169716803 WNMRCPDYPXSDFI-UHFFFAOYSA-N 271.751 3.633 30 20 CHED C[C@H]1CC[C@@H](CNc2nc(C#N)c(Cl)s2)C1 1186341772 AQOFITZNNFUZKL-JGVFFNPUSA-N 255.774 3.516 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)Nc1cccc(C#N)c1C 1201839639 NTLDGLWIVZOUOX-HIFRSBDPSA-N 285.391 3.815 30 20 CHED CC1(C#N)CN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 1233208296 YVDIZTKYXBVTDP-UHFFFAOYSA-N 296.345 3.963 30 20 CHED C#Cc1cccc(NCCc2ccc(F)cc2F)c1 1255503466 CVPMHHQEBQOKCB-UHFFFAOYSA-N 257.283 3.601 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 1261437912 OXDQJGATYJBVGE-AWEZNQCLSA-N 289.423 3.560 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CC1CCC(OC)CC1 1262654221 AQHHTNWDXCXYTJ-PCKAHOCUSA-N 279.424 3.539 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccc(F)cc1Cl 1263836005 NACMCTFUBCTFCU-SECBINFHSA-N 255.720 3.623 30 20 CHED Cc1ccc(C#N)c(NCC[C@H]2CCCC[C@@H]2C)n1 1306970046 MOXZMOUIKFYLEX-GXTWGEPZSA-N 257.381 3.890 30 20 CHED N#Cc1cccc(CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)C2CC2)n1 1308624571 ONZHAVVSPKMXCY-HRCADAONSA-N 295.430 3.744 30 20 CHED COC(=O)c1ccc(C=NOC/C=C\c2ccccc2)cc1 1317780414 WGUBMQIOVZYNCQ-RPVLYLTJSA-N 295.338 3.537 30 20 CHED CC(C)(C#N)CCCOc1cnc(F)cc1Cl 1322048892 NLQHJWCQBZAJGB-UHFFFAOYSA-N 256.708 3.583 30 20 CHED Fc1ccc(CNN=Cc2ccc(Cl)cc2F)cc1 1326056134 NIJFJOKOGHSIGR-UHFFFAOYSA-N 280.705 3.742 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)nc2cc(F)ccc12 1326671529 FEBFSXFMZDWABE-CQSZACIVSA-N 298.361 3.863 30 20 CHED C=C[C@@](C)(CC)c1nnc(COc2ccccc2F)o1 1327006871 NILXKLAPHGNXIO-HNNXBMFYSA-N 276.311 3.641 30 20 CHED C=CCC1(N[C@H](C)Cc2ccccc2Cl)CCOCC1 1327961612 XQLIFEGZQSKZAN-CQSZACIVSA-N 293.838 3.986 30 20 CHED CCN(Cc1cnc(-c2ccccc2)s1)[C@H](C)C#N 1328429230 MQDMTDULMQYHMK-GFCCVEGCSA-N 271.389 3.544 30 20 CHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccccc1F 1336185775 RMXVVWLPKBAPRF-NSHDSACASA-N 263.312 3.760 30 20 CHED C=C(C)[C@H](CC(=O)NCc1cccc(C(F)F)c1)OCC 1338555758 SAHAHNNZEHMDDA-AWEZNQCLSA-N 297.345 3.612 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)O[C@H]1CC[C@H](C#N)C1 1342576864 YOLNDXBJHBPGHQ-QWRGUYRKSA-N 292.404 3.598 30 20 CHED C=CCc1ccccc1OC(=O)c1cn2c(C)cccc2n1 1343272196 INLFGRLKOFCIPB-UHFFFAOYSA-N 292.338 3.590 30 20 CHED C=CC(C)(C)COC(=O)c1oc(C2CC2)nc1C(F)F 1343699792 AXSRZZSUMWNBCW-UHFFFAOYSA-N 285.290 3.859 30 20 CHED CC(C)c1ccccc1C(=O)O[C@@H]1CC[C@@H](C#N)C1 1344687488 RPGOWJDLYYJOIO-CHWSQXEVSA-N 257.333 3.659 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cc(-n2cccc2)ccc1F 1346314185 IIDVGVSERUAIRO-ZDUSSCGKSA-N 299.349 3.540 30 20 CHED CCC[C@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 1351943103 KEUPZXNDXKOHGQ-KRWDZBQOSA-N 296.345 3.969 30 20 CHED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3F)cc2)cc1 1356261446 FGNSDSLNZQVELL-CVEARBPZSA-N 296.301 3.647 30 20 CHED Cc1nsc(N2CC[C@@H](C3CCCCC3)C2)c1C#N 1458474506 SSZOFRZMXGBHGK-CYBMUJFWSA-N 275.421 3.730 30 20 CHED CNc1ccccc1CNc1ccccc1O[C@H](C)C#N 1461382455 MZXYUNIMRQXBSW-CYBMUJFWSA-N 281.359 3.631 30 20 CHED COc1ccc(NC(=O)c2ccc(Cl)s2)cc1C#N 1544955255 FFNVUAILKOPNBT-UHFFFAOYSA-N 292.747 3.534 30 20 CHED N#Cc1ccc2c(c1)N(CCSc1ccccc1)CC2 1559718821 NDSQNQVIJWDMOF-UHFFFAOYSA-N 280.396 3.713 30 20 CHED C=C(Cl)CNC(=O)Nc1nc2c(s1)CCCCCC2 1562697045 FDBKANPZTICPFA-UHFFFAOYSA-N 299.827 3.676 30 20 CHED CCc1ccc(NCCCC(C)(C)C#N)c(C(=O)O)c1 1597551221 CZNYEXBTFLYCED-UHFFFAOYSA-N 274.364 3.689 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 1602869295 CJRRQQSMMAUVCJ-CABCVRRESA-N 295.423 3.520 30 20 CHED N#Cc1cccc(SCc2cc(C(=O)O)ccc2F)c1 1608218321 KZMRPLPULOFYJJ-UHFFFAOYSA-N 287.315 3.688 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2c3ccccc3CC[C@H]2C)n1 1612186674 QDLAXPYWOOBFNW-XIKOKIGWSA-N 292.386 3.646 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1F 1625455043 KODJZKHHLHQNAQ-GFCCVEGCSA-N 289.354 3.645 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C2CCC2)C2CC2)c1C#N 1639998327 UVBJZVBLSRAIFN-AWEZNQCLSA-N 275.783 3.906 30 20 CHED N#Cc1ccc(SCc2ccncc2F)c(F)c1 1640938913 FSROLJZFKMAQSK-UHFFFAOYSA-N 262.284 3.524 30 20 CHED Cc1ccccc1SC[C@@H](C)CN(C)C[C@@H](C)C#N 1652414430 YMYMZCHQTZSOCV-KBPBESRZSA-N 276.449 3.815 30 20 CHED Cc1ccccc1SC[C@@H](C)CN1CCC[C@@H](C#N)C1 1655542101 RZLFTFXTDRGPPD-HOCLYGCPSA-N 288.460 3.959 30 20 CHED C[C@@H]1CCC[C@H](CN[C@H]2CCc3cc(C#N)ccc32)C1 1659674177 ZPOIMEPCDDNTOI-XUWXXGDYSA-N 268.404 3.961 30 20 CHED CC(=NNc1ccccc1C(=O)O)c1csc(C)c1 1776030693 GGUSAIQFJGLFBC-UHFFFAOYSA-N 274.345 3.591 30 20 CHED C=CCC[C@H]1CCCN1Cc1cc(C(=O)O)sc1C 1776170726 NEKFBFHWOPNLEE-ZDUSSCGKSA-N 279.405 3.685 30 20 CHED C=CC12CC(B3OC(C)(C)C(C)(C)O3)(C1)[C@H]2C1CC1 2090608710 MWBAZKFWUPSCLP-JQRITLKVSA-N 260.186 3.825 30 20 CHED C=CCc1ccccc1OCC(=O)Nc1ccccc1CC 1284704 DXVUHHOGJYLURT-UHFFFAOYSA-N 295.382 3.995 30 20 CHED C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)cc2Cl)C1 345287300 MKMSSDJKSNERMF-MWLCHTKSSA-N 262.740 3.586 30 20 CHED C[C@@H](NCCCOc1ccccc1)c1ccc(C#N)cc1 52091984 PYYVLTNUQSRJFE-OAHLLOKOSA-N 280.371 3.678 30 20 CHED Cc1cc2ccccc2n1CC(=O)Nc1sccc1C#N 171058312 FNZUZHGFADBRGR-UHFFFAOYSA-N 295.367 3.522 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cccc(CC#N)c1 176689711 CTHPJOICUOBLET-XJKSGUPXSA-N 284.403 3.697 30 20 CHED CC(C)(C#N)C(=O)Nc1ccc(CNc2ccccc2)cc1 176285829 BFKRFNXWXIXKAR-UHFFFAOYSA-N 293.370 3.787 30 20 CHED Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C#N)c2C)c1 178642630 MDVWCIFVPLHDPC-CQSZACIVSA-N 294.354 3.581 30 20 CHED C=CCCCC(=O)N(C)Cc1csc([C@@H](C)OCC)n1 175978924 VLGNSEVCCLMQOB-GFCCVEGCSA-N 296.436 3.555 30 20 CHED Cc1ccc(O[C@H](C)CNc2c(C#N)cccc2C#N)cc1 302881343 IZQAXWUMLAVBDR-CQSZACIVSA-N 291.354 3.618 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)c1ccc(Cl)s1 176615774 BQLLEFIWCHBVTA-DTWKUNHWSA-N 257.786 3.586 30 20 CHED CC[C@H](C#N)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173380359 HJQSGZQVYHVZPP-UPJWGTAASA-N 297.185 3.515 30 20 CHED C[C@@H](OC(=O)C1CCCCC1)c1ccc(C#N)cc1 175805098 QMZIMPUOFOOZPY-GFCCVEGCSA-N 257.333 3.743 30 20 CHED N#CCN(C(=O)/C=C/SCc1ccco1)c1ccccc1 177392279 FAJSHBUBMODYHD-XYOKQWHBSA-N 298.367 3.583 30 20 CHED C=CC1CCN(C(=O)Nc2ccccc2OCCC)CC1 111710598 BGJBMPFXIZSBQE-UHFFFAOYSA-N 288.391 3.905 30 20 CHED C=C(C)CCOC(=O)CCc1ncc(-c2ccccc2)o1 174807492 SDJCZEZDEBRWLJ-UHFFFAOYSA-N 285.343 3.784 30 20 CHED N#Cc1ccc(NCC[C@@H]2CCCCO2)c(C(F)(F)F)c1 302032093 NQXHTXVMMIMUFO-LBPRGKRZSA-N 298.308 3.948 30 20 CHED N#Cc1ccc(CN[C@@H]2CCOc3c(Cl)cccc32)cc1 67248697 BQQCHALZBJIMDV-MRXNPFEDSA-N 298.773 3.825 30 20 CHED C=CCOc1cccc(NC(=O)N(CC)C(C)C)c1 171380367 OAWFUTFWRIYIAW-UHFFFAOYSA-N 262.353 3.514 30 20 CHED C[C@H]1CN(C(=O)C2(C#N)CCCC2)CC[C@H]1c1ccccc1 173946701 WDZJWKGMZSEFIK-DOTOQJQBSA-N 296.414 3.723 30 20 CHED CC(C)(C#N)CCCSc1nnc(NC2CC2)s1 177210705 OQZKMHRBGFLMEG-UHFFFAOYSA-N 282.438 3.534 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C=C1CCCCC1 62905479 IRHDDRNFJRNZHM-UHFFFAOYSA-N 294.398 3.963 30 20 CHED C[C@@H]1CC(NC(=O)N(C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 172397722 AHQQMKNSBQUIRQ-KBPBESRZSA-N 299.418 3.524 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Oc2ccc(F)c(F)c2)c1 302188533 AFDKVJGEOIQYCH-UHFFFAOYSA-N 276.198 3.537 30 20 CHED CC(C)c1nc(C[S@@](=O)CCCC(C)(C)C#N)cs1 178024616 BFCCIWAUHDLZEL-IBGZPJMESA-N 298.477 3.845 30 20 CHED CCc1nnc(N[C@@H]2CCc3ccccc32)c(C#N)c1CC 301610099 BXOFJKQNUHOOOW-QGZVFWFLSA-N 292.386 3.572 30 20 CHED C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(C#N)c(Cl)c1 301918150 WJJHROVZIRYBTM-IINYFYTJSA-N 290.750 3.729 30 20 CHED COc1ccc([C@H]2CCCN2c2nc(C)ccc2C#N)cc1 127532675 QAOPRBVXZWXTJT-QGZVFWFLSA-N 293.370 3.612 30 20 CHED CC(C)C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 181057596 ZNUUKNGJYVDNDP-UHFFFAOYSA-N 287.306 3.894 30 20 CHED C[C@H](Nc1ccc(Cl)cn1)c1ccc(C#N)cc1 37749728 NJZGZLICLUVLGY-JTQLQIEISA-N 257.724 3.780 30 20 CHED CC(C)[C@@H]1OCCC[C@@H]1CNc1ccc(F)cc1C#N 301600799 VDTPIOHMSCTVCG-WBMJQRKESA-N 276.355 3.560 30 20 CHED C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)c1ccccc1 183283859 VISPIADHFHIBBA-LRDDRELGSA-N 298.773 3.825 30 20 CHED C=CCC[C@@H](O)CN1CCCCC[C@@H]1c1ccco1 129658747 UALNYHOAYCMXIE-HUUCEWRRSA-N 263.381 3.524 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2cc3ccccc3o2)C1 185780808 WSHVNOOQFDMROM-OCCSQVGLSA-N 254.333 3.605 30 20 CHED CCC[C@@H]1CCCCN1C(=O)c1c(F)cc(C#N)cc1F 183907037 UQNPTNXLKQVDFU-GFCCVEGCSA-N 292.329 3.631 30 20 CHED C#CCCOc1ccc(CNc2ccc(F)c(OC)c2)cc1 189571512 BOKORBGDJVOXSA-UHFFFAOYSA-N 299.345 3.849 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccccc2)co1 412323051 QPJVJFNKGKYMEM-MRXNPFEDSA-N 270.332 3.882 30 20 CHED N#Cc1cc2c(nc1SCc1ccncc1)CCCC2 78751997 IPAIBSSXWKMPLO-UHFFFAOYSA-N 281.384 3.519 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C(F)(F)F)c(F)c1 410142785 ZTAINZKZVLOSHQ-SNVBAGLBSA-N 289.272 3.929 30 20 CHED C=C(Cl)CN[C@@H]1CCSc2ccc(F)cc21 129804010 CYMJBWNVLCRTEL-LLVKDONJSA-N 257.761 3.705 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC(C)(C)C1 483726199 MGOJWVBOCQKQEE-LBPRGKRZSA-N 260.356 3.565 30 20 CHED C=C(C)[C@H](NCc1cccnc1)c1ccc(F)c(F)c1 187373057 AAQFRIBBGIHACM-INIZCTEOSA-N 274.314 3.767 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CCCCSC 412844371 UCBVRQPBDCADAJ-INIZCTEOSA-N 291.460 3.823 30 20 CHED C=CC[C@H](C)NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 180423832 XCCPWBJKXONQDS-NEPJUHHUSA-N 293.794 3.630 30 20 CHED O=C1/C(=C\c2cncs2)CSc2ccc(F)cc21 129957906 OVNSXAGMXYOLME-BAQGIRSFSA-N 277.345 3.654 30 20 CHED COc1cc2c(cc1CNc1ccccc1C#N)O[C@H](C)C2 316790150 BDEUEDOMKMFVDN-GFCCVEGCSA-N 294.354 3.502 30 20 CHED Fc1cccc([C@H](NCC(F)(F)F)C(F)(F)F)c1F 182599504 QSECIALTNOWSBI-QMMMGPOBSA-N 293.157 3.720 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)Cc1cccc(F)c1 411116785 XEOKJFCERXTODY-DYVFJYSZSA-N 277.383 3.817 30 20 CHED CC#CCCCC(=O)NCc1ccc2ccccc2c1 185222357 JKPZOVOKYUQAPX-UHFFFAOYSA-N 265.356 3.650 30 20 CHED COCc1ccccc1/C=C(/C)CNCC1(C#N)CCC1 418144711 UXTRLHUPHGHFMK-GDNBJRDFSA-N 284.403 3.520 30 20 CHED C=CCOc1ccc(OCc2c(CC)noc2C)cc1 123489255 TZUOHHFWXMCSGJ-UHFFFAOYSA-N 273.332 3.689 30 20 CHED N#Cc1nc(N[C@H](C2CCC2)C2CC2)ccc1Cl 413370025 VJKNIODEYJSTCR-CQSZACIVSA-N 261.756 3.597 30 20 CHED Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)c(C)o1 123850876 RVJZUCCOCAJEAW-SNVBAGLBSA-N 285.303 3.849 30 20 CHED CCCC(CCC)C(=O)N[C@]1(C#N)CCc2ccccc2C1 410717207 JERNFRFATIXCML-LJQANCHMSA-N 298.430 3.770 30 20 CHED N#CCCCN[C@H](c1ccccc1F)C1CCCC1 181500281 WYEYXSUFRSRGKQ-INIZCTEOSA-N 260.356 3.950 30 20 CHED COc1ccc(/C=C2\CCOc3ccccc3C2=O)cc1 39208006 SCZXHSSASDTNOK-WYMLVPIESA-N 280.323 3.744 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(C(=O)OC)sc1C 411103971 ROZQYTMDOFISLU-UHFFFAOYSA-N 293.388 3.550 30 20 CHED CC(C)n1ncc2cc(CSCCCCC#N)cnc21 419533521 AJJOWIZYMXSPQY-UHFFFAOYSA-N 288.420 3.939 30 20 CHED CCC(CC)n1nc(C(=O)Nc2cccc(C#N)c2)cc1C 182888760 XYXVOZYNLWYOPP-UHFFFAOYSA-N 296.374 3.677 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)N(CC)c1ccc(C#N)cc1 180795535 KZCGACSISGPACT-OLZOCXBDSA-N 258.365 3.593 30 20 CHED C=CCC[C@H](CCC)N[C@H]1C[C@H](OCC)C12CCOCC2 186312822 AVHBWRJDTGYKBH-ULQDDVLXSA-N 295.467 3.685 30 20 CHED Cc1ccc2c(OCC3(C#N)CCC3)cc(C)nc2c1 418948632 CWVKUMYJRSCUMO-UHFFFAOYSA-N 266.344 3.924 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)[C@H]1CCCOC1 414310851 XFDOVKVWJIRLQT-RYQLBKOJSA-N 273.420 3.579 30 20 CHED C[C@@H](CCC#N)N1CCC[C@H](Oc2ccccc2Cl)C1 411402139 PAAMGASOVWGTPT-KBPBESRZSA-N 292.810 3.875 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CC=CC1 77743251 TYEFBTZOIWEQCK-LBPRGKRZSA-N 286.400 3.986 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(Cl)c(SC)c1 417281534 RYSFKRDGCSWWGE-VIFPVBQESA-N 297.811 3.876 30 20 CHED C[C@@H]1CC(C(=O)N(C)Cc2cccc(C#N)c2)C[C@H](C)C1 182936310 UUJSJZATUGQOCM-VMZNBEPHSA-N 284.403 3.589 30 20 CHED CC#CCCCC(=O)N1c2ccccc2SC[C@H]1C 185985591 OJUKQXZEYHJUAY-CYBMUJFWSA-N 273.401 3.707 30 20 CHED N#C[C@H](C(=O)/C=C\c1ccc(Cl)cc1)c1ccccn1 46439690 VGZBLVGEWIGJIC-PIZKADEWSA-N 282.730 3.625 30 20 CHED Cc1noc(C)c1[C@H](C)C/N=C(/O)[C@H]1CC12CCCC2 328642864 AEUITZIBEBJOSX-ZWNOBZJWSA-N 276.380 3.932 30 20 CHED CCN(CC)CCCC1CCN([C@@H](C)CCC#N)CC1 411501145 HLCGFSWWPSXSRI-INIZCTEOSA-N 279.472 3.513 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1c(OC)cccc1SC 417677412 HTEPDNJRPZJAEP-LLVKDONJSA-N 294.420 3.893 30 20 CHED C=C(C)CCc1noc([C@H](C)COc2ccccc2)n1 508688921 ZAGLJYZRRQXQEQ-CYBMUJFWSA-N 272.348 3.761 30 20 CHED CC[C@H](CNC(=O)c1cccc(C#N)c1C)c1ccccc1 509062021 ZSYBKDGSMGJFHI-OAHLLOKOSA-N 292.382 3.790 30 20 CHED CCN(Cc1cccc(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 429707766 HLKYEGFTDSTKOG-IUODEOHRSA-N 262.784 3.854 30 20 CHED N#Cc1ccc(OCc2cc(-c3ccccc3)on2)c(F)c1 134304027 DQVKJAKWFCCDDP-UHFFFAOYSA-N 294.285 3.931 30 20 CHED C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 132549723 RTCNBZACZGSSQK-LSDHHAIUSA-N 275.779 3.644 30 20 CHED C=CCOc1ccc(C(=O)N(CC2CCC2)C(C)C)cc1 195148169 ZKWWWYBZKPLUHQ-UHFFFAOYSA-N 287.403 3.902 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)o1 49124417 IJJSROIXCHEXLG-SNAWJCMRSA-N 286.718 3.785 30 20 CHED Cc1cc2cc[nH]c2cc1N=C(O)N[C@@H]1CSC1(C)C 328739086 LAQBWKPGKUGQDJ-CYBMUJFWSA-N 289.404 3.505 30 20 CHED Cc1cccc(C)c1CCNCc1ccc(C#N)cc1 132677883 UAOMAFZDRUCJPJ-UHFFFAOYSA-N 264.372 3.507 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](CC)Cc1ccccc1C 424681976 WDYKMEUTYVNCKY-HUUCEWRRSA-N 259.393 3.645 30 20 CHED C[C@@H]1CC(O)=N[C@H](C(O)=Nc2ccc3ncsc3c2)C1 328753323 NSHSASUWEDKJKM-KWQFWETISA-N 289.360 3.639 30 20 CHED C#CCCCC(=O)Nc1ccc(OCCCC)cc1C 192086369 SLNXPIWVVSTTBB-UHFFFAOYSA-N 273.376 3.916 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2CCCC(C)(C)C2)C1 329013259 PFSGQFOIXQDYHR-SRVKXCTJSA-N 266.385 3.667 30 20 CHED C=CCC1(C(=O)Nc2ccc(C)c(OC)c2C)CCC1 191868581 OMKBIPILDKUJPO-UHFFFAOYSA-N 273.376 3.997 30 20 CHED Cc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc(C)n1 421852649 HRSCWVBZSSGSOY-CYBMUJFWSA-N 283.350 3.560 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(C#N)c1 424560289 LRJOSYQSFDICDY-UHFFFAOYSA-N 262.740 3.752 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCOc1cccc(Cl)c1 429836012 FDGGUIMUVFSDHC-UHFFFAOYSA-N 295.810 3.780 30 20 CHED C=CC1CCN(C(=O)C(C2CCC2)C2CCC2)CC1 511642269 WQPDZXZVUWUBGL-UHFFFAOYSA-N 261.409 3.627 30 20 CHED CN(Cc1ccc2ccccc2c1)c1cc(C#N)ccn1 339975314 KDBYWCCRDUUDHZ-UHFFFAOYSA-N 273.339 3.743 30 20 CHED C=CC[C@@H](C(=O)N1CCS[C@@H](C)CC1)c1ccccc1 191367287 YPLNMMFZMWOVNP-GOEBONIOSA-N 289.444 3.700 30 20 CHED C[C@H]1C[C@]1(C#N)c1nc(-c2ccccc2C(F)(F)F)no1 334667682 FLGWPRUNQALNKK-ISVAXAHUSA-N 293.248 3.557 30 20 CHED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccco1 90665716 PINXTKLRYIODQV-UKRRQHHQSA-N 254.333 3.975 30 20 CHED CC[C@H](CC1CCCC1)C(=O)NCCc1cccc(C#N)c1 515168344 JDUDOGXGSYEHMS-GOSISDBHSA-N 298.430 3.823 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H]1CCC[C@@H](C)CC1 337986256 PABLZMPJVOAUQR-IUODEOHRSA-N 270.376 3.565 30 20 CHED CC(C)C[C@](C)(C#N)/N=C(/O)c1cc(F)c(F)cc1F 330484497 XWFKXQQWCXFSGN-CQSZACIVSA-N 284.281 3.737 30 20 CHED C[C@H]1Cc2ccccc2N1Cc1cn2ccccc2c1C#N 338948019 AGHMOISULUMZKU-AWEZNQCLSA-N 287.366 3.762 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C)c2ccc(Cl)s2)n1 231898345 GEMSIPOLJWCQCQ-QMMMGPOBSA-N 278.768 3.545 30 20 CHED CCC[C@@H](C)N(C)C(O)=Nc1cnn([C@@H](C)CC)c1C 331141991 RHLPFEQZLUMLAX-NWDGAFQWSA-N 280.416 3.828 30 20 CHED N#Cc1c(F)cccc1CNc1ccc2c(c1)C(=O)CCC2 427399911 QYLBRHAINYJQHF-UHFFFAOYSA-N 294.329 3.828 30 20 CHED Cc1ccccc1C(C)(C)CNCc1cc(C#N)cs1 237685624 CXRXXCFJSUNDKP-UHFFFAOYSA-N 284.428 3.996 30 20 CHED CCc1ccc(N/C(O)=N/[C@@H]2CCC[C@@H]2C#N)cc1C 330885701 FVIVFXVSPSEUFZ-UKRRQHHQSA-N 271.364 3.576 30 20 CHED CCC1CCC(/N=C(/O)C2=CCCC2)(C(=O)OC)CC1 331021714 YQDKTIQTVDQPAJ-UHFFFAOYSA-N 279.380 3.565 30 20 CHED CCC[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 337192901 UFGJESQUTJMXDX-MRXNPFEDSA-N 278.440 3.599 30 20 CHED CC(C)(C#N)CCCCOc1cccc2c1C(=O)CC2 295318578 NZQSJLYBIGFAEV-UHFFFAOYSA-N 271.360 3.914 30 20 CHED CC1(C#N)CCC(N[C@H]2CCOc3c(F)cccc32)CC1 336217803 RQEDHFXJMQRSPP-VXKCQOAXSA-N 288.366 3.711 30 20 CHED Cc1ncc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)s1 90418506 SWGZEARQLFRUMS-GHMZBOCLSA-N 271.389 3.735 30 20 CHED Cc1ccc2c(C(=O)N[C@H]3CCC[C@@H]3C#N)csc2c1 331721317 KNAWJMHNFWWFTM-RISCZKNCSA-N 284.384 3.632 30 20 CHED C=CCCC(=O)NCc1c(Cl)cccc1Cl 523223881 YVNYOFLOFBUWAJ-UHFFFAOYSA-N 258.148 3.576 30 20 CHED CC[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 340039705 OXDRSWMXPQAFGH-QGZVFWFLSA-N 278.355 3.634 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](c2ccccc2)C1 432150742 OLUFZWZNOGALGU-CTYIDZIISA-N 293.326 3.825 30 20 CHED C=CCOCCCN1CCC[C@@H]1c1ccc(C)s1 348052270 NRDVSKBJKXFKKK-CQSZACIVSA-N 265.422 3.786 30 20 CHED CCc1cccc(Cn2nc(C#N)c3ccccc32)c1 432475918 KXRCLHZFYXWYRV-UHFFFAOYSA-N 261.328 3.519 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@@H](OCC)C1(CC)CC 436289137 GAORERGKFWBYEQ-VQHPVUNQSA-N 295.467 3.541 30 20 CHED CC(C)[C@@H](C/N=C\c1ccccc1O)c1cccnc1 255105743 BPVPRKVISWZPAH-VXIUPONVSA-N 268.360 3.646 30 20 CHED C[C@H](CNc1nc(Cl)c(C#N)s1)Oc1ccccc1 700368956 OZQAFYPCXLOTJK-SECBINFHSA-N 293.779 3.548 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc(-c2ccco2)cs1 528492084 JWGGFCIVDBMNSR-UHFFFAOYSA-N 289.360 3.672 30 20 CHED C/C(=C/C(=O)N(CC#N)c1ccccc1)c1ccc(F)cc1 255719527 SBFDMIGRYAGOLY-YPKPFQOOSA-N 294.329 3.786 30 20 CHED COCC(C)(C)CCCNc1cccc(F)c1C#N 340919518 SDFZVCNOLWGPML-UHFFFAOYSA-N 264.344 3.562 30 20 CHED C=C(CNC(=O)Nc1ccccc1OC)c1ccccc1 348137203 DLVWOKMNELYRBK-UHFFFAOYSA-N 282.343 3.530 30 20 CHED Cc1cc(C)c(C#N)c(N2CCc3c(Cl)cccc3C2)n1 523514644 SWBOBPWJGDZGSV-UHFFFAOYSA-N 297.789 3.786 30 20 CHED N#CCCN1CCCCC[C@H]1/C=C\c1ccccc1 441175342 XGEOZOHQCIQJHU-CPFIRTDXSA-N 254.377 3.858 30 20 CHED CCCc1ccccc1NC(=O)c1ccc(C=NOC)cc1 255336707 RJFBLYOLOLVEDM-UHFFFAOYSA-N 296.370 3.872 30 20 CHED Cc1c(F)cccc1N[C@@H](C)CC1(C#N)CCOCC1 602489952 BPPPCOXTRMEOBT-LBPRGKRZSA-N 276.355 3.645 30 20 CHED O=C(/C=C\c1cccs1)c1cc(F)cc(F)c1 255102531 HMMWWTOYZUOJKP-ARJAWSKDSA-N 250.269 3.922 30 20 CHED CC[C@H](Cc1ccc(Cl)cc1)NCc1cccc(C#N)n1 602545636 HMGKALIDUZVQCN-OAHLLOKOSA-N 299.805 3.718 30 20 CHED C[C@@H](C1CC1)N(C)C(=O)c1c(Cl)cc(C#N)cc1Cl 600983491 LHVOUDQXVNFGRI-QMMMGPOBSA-N 297.185 3.736 30 20 CHED C[C@@H](CCC#N)CN1CCC[C@H](CN2CCCCCC2)C1 602459962 PHVDYVLBWKTULX-ZWKOTPCHSA-N 291.483 3.514 30 20 CHED C[C@@H]1c2ccccc2OCCN1c1cccc(F)c1C#N 608778943 QPCJDDJLSYDSSM-GFCCVEGCSA-N 282.318 3.657 30 20 CHED C[C@@H](c1ccccc1)N(CC1(CC#N)CC1)C1CC1 602792402 XHRQDTOZEZNPHJ-AWEZNQCLSA-N 254.377 3.906 30 20 CHED Cc1ccc(CN(C)C(=O)Nc2ccc(C#N)c(F)c2)cc1 353529728 KTRRPQXAJDTBKN-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](C)CC1CCCCC1 446248785 MPJXNKDPCKJUOI-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=C(C)COCCN[C@@H]1C[C@H](C)c2c(C)cccc21 536843691 FLHQCXQDHUZJOJ-GOEBONIOSA-N 259.393 3.726 30 20 CHED CCN(Cc1cc(C#N)ccc1F)c1cccc(OC)c1 533356225 DOQNIZPDTXDJAV-UHFFFAOYSA-N 284.334 3.732 30 20 CHED CC1(CC(=O)Nc2cccc(OCC#N)c2)CCCCC1 269904843 IMOPKDBGODLALT-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)N(C)c1ccccc1 449079483 OTRSYJGTQLIRCW-HJOIGYKYSA-N 285.435 3.573 30 20 CHED Cc1c([C@H](C)NC(=O)C2(C#N)CC(C)C2)oc2ccccc12 531754532 BHTODRGJQOXMEN-HLZQHVJHSA-N 296.370 3.858 30 20 CHED C[C@@H](NC(=O)N[C@H]1CCCCC1(C)C)c1cccc(C#N)c1 610707775 PKINOSOPVLOOIN-CJNGLKHVSA-N 299.418 3.887 30 20 CHED COc1cc(CN(C)[C@H](C)CC#N)cc2ccccc12 449021483 CQMKZWFXUDZSER-CYBMUJFWSA-N 268.360 3.582 30 20 CHED C=CCCC1(C(=O)N2CC[C@@H](c3ccccc3OC)C2)CC1 356150152 IHAFQGGDALYVLA-OAHLLOKOSA-N 299.414 3.758 30 20 CHED C=CCN(C)C(=O)c1oc2ccccc2c1CSC 614531983 OQYYCJBNDLJGMK-UHFFFAOYSA-N 275.373 3.554 30 20 CHED C=CCCC1(C(=O)NCc2ccc(OCC=C)cc2)CC1 359097406 HAOYGMYFKMREBR-UHFFFAOYSA-N 285.387 3.614 30 20 CHED C=CCCC[C@H](C)NC(=O)NCC1(c2ccccc2)CC1 538285299 BIQWDSBZRAFOTR-HNNXBMFYSA-N 286.419 3.762 30 20 CHED CC[C@H](NCCCOc1cccc(C#N)c1)C(C)(C)C 539492071 FUOZIXXFHGJHJA-INIZCTEOSA-N 274.408 3.741 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cccc(Cl)c1 537230689 XBUAGGUWGCEVHW-NSHDSACASA-N 251.757 3.815 30 20 CHED C=CCC[C@@H](NC[C@H]1C[C@H]2CC[C@H]1O2)c1ccccc1 448131744 APZJQPCYGNRIOH-BRSBDYLESA-N 271.404 3.851 30 20 CHED CCCCCCCC(=O)N[C@@H](C)CC(=O)c1ccco1 268387440 KJKRZCDSLSZBSF-ZDUSSCGKSA-N 279.380 3.718 30 20 CHED C=CCC1(NC(=O)[C@@H](C)OCc2ccccc2)CCCC1 619113665 FDOVKBGQZRGJIL-OAHLLOKOSA-N 287.403 3.597 30 20 CHED C[C@]1(N[C@@H]2CCC[C@@H](C#N)C2)CCCc2ccccc21 618573788 QEGNPNATQDXUPM-KYJSFNMBSA-N 268.404 3.910 30 20 CHED CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CC1 264498941 FVCDBVPZBJVWQZ-KBPBESRZSA-N 299.418 3.838 30 20 CHED CCC1(C)CCN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 610407095 SHVFOMIHEPIIMI-CQSZACIVSA-N 299.418 3.841 30 20 CHED C=CCC1(NC(=O)[C@H](CC)CC(F)(F)F)CCCC1 619111009 SVHKOGMFAGCBNR-LLVKDONJSA-N 277.330 3.970 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 453360843 PULFBENQESDCLJ-HOCLYGCPSA-N 291.435 3.842 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cscc1Cl 611254385 AQXMEEAWRKMKEJ-UHFFFAOYSA-N 276.792 3.905 30 20 CHED C=CC(C)(C)CNC(=O)[C@H](C)CSc1ccccc1 456111233 AIEPYCDXOXLUHM-CYBMUJFWSA-N 277.433 3.743 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCC(C1CC1)C1CC1 611393263 RVYASCVUUAFGTH-IBGZPJMESA-N 280.415 3.961 30 20 CHED C=CCN(C(=O)c1ccc(C(C)(C)C)s1)[C@@H](C)COC 617581078 KDJRQMJNFMIBJQ-LBPRGKRZSA-N 295.448 3.709 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc([C@H]2C[C@H]3CC[C@H]2C3)no1 361025285 LTVWKLNAGVKXEO-APYUEPQZSA-N 293.370 3.997 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 451382197 HJIRDAYVQJLCLA-CHWSQXEVSA-N 275.367 3.790 30 20 CHED C=CCCC(=O)N(CCCC)[C@@H]1CCCC[C@H]1OC 456180090 AFTXFUFWWZLZJL-HUUCEWRRSA-N 267.413 3.539 30 20 CHED N#Cc1cc(N[C@@H]2CCC[C@@H]2CCO)ccc1C(F)(F)F 275024699 MVOKZRITHGGTIZ-QMTHXVAHSA-N 298.308 3.540 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccccc1SCC 545252301 MXHHLVHTLXUCIV-GFCCVEGCSA-N 263.406 3.883 30 20 CHED C=CCCC[C@H](C)NC(=O)NC[C@H](SC)C(C)(C)C 543165725 BPNWSALIFMOHQD-STQMWFEESA-N 286.485 3.808 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CCSC1 360883357 NGIUAFITLCDLDC-PBHICJAKSA-N 286.444 3.668 30 20 CHED CC(C)(C)C(=O)c1ccc(NC(=O)CCCC#N)cc1 360396541 RQRMTPIXADXCPY-UHFFFAOYSA-N 272.348 3.548 30 20 CHED CCN(CC(C)(C)C)C(=O)Nc1cccc(CC#N)c1 455909433 SFVURKLFMVZFPD-UHFFFAOYSA-N 273.380 3.653 30 20 CHED C=CCOc1ccc(CNC[C@@H]2CC[C@H](C)O2)cc1Cl 453632155 OSSALBXSLPFHEG-JSGCOSHPSA-N 295.810 3.562 30 20 CHED CC[C@H](N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(C#N)cc1 278893411 YSKRFQGQGLYZCT-BZSNNMDCSA-N 284.403 3.557 30 20 CHED CC(C)(C#N)CC(=O)NCC(C)(C)c1ccccc1Cl 278656488 DXAYJGFGHWKDFL-UHFFFAOYSA-N 292.810 3.674 30 20 CHED Cc1ccc2ccccc2c1CN(C)[C@H](C)CC#N 361524032 IOEHWKMFLNNURI-CQSZACIVSA-N 252.361 3.882 30 20 CHED CC(C)C[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)CCO1 272082276 WLAQZBRPQYCHPH-FHLIZLRMSA-N 286.419 3.803 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 451390010 BKDKORAWJHNYRI-YEORSEQZSA-N 279.330 3.539 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)C1CCC1 457450635 HYAOPSWSFBCAGJ-CQSZACIVSA-N 287.403 3.646 30 20 CHED C=CCC1(CNC(=O)c2ccc3c(c2)COC3)CCCC1 456480999 ADAJUOQRIQCJJZ-UHFFFAOYSA-N 285.387 3.583 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(Cl)c1OC 454590623 MEMHYIMFEFSZNJ-UHFFFAOYSA-N 282.771 3.682 30 20 CHED C=C[C@@H](CC(=O)N(C)c1cnccc1C)c1ccccc1 547337017 FCVHIZRHALLKSL-HNNXBMFYSA-N 280.371 3.713 30 20 CHED CC(C)n1ncc2c1[C@H](NCC(C)(C)CCC#N)CCC2 364027178 DNWITSYNKMPLFV-OAHLLOKOSA-N 288.439 3.761 30 20 CHED CC[C@H](NC[C@H]1CCOC(C)(C)C1)c1ccc(C#N)cc1 453436680 UTJJPICBTQNFHX-RDJZCZTQSA-N 286.419 3.804 30 20 CHED C=C[C@@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1 274296057 DRFHHKCISWPFHD-KSSFIOAISA-N 284.403 3.791 30 20 CHED CCCO[C@@H]1CCCN(c2cccc(Cl)c2C#N)CC1 450326928 JSNCSCYTUZXPDW-CYBMUJFWSA-N 292.810 3.997 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 547393542 RRFJFEZCFFCXBM-IUODEOHRSA-N 272.392 3.577 30 20 CHED CCc1cc(=O)oc2cc(OCCC(C)(C)C#N)ccc12 272164715 XUBZXIIAMXRKCN-UHFFFAOYSA-N 285.343 3.674 30 20 CHED C=CC(C)(C)CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 628316287 PTQPVDFOJWDAFW-ZIAGYGMSSA-N 293.357 3.787 30 20 CHED CC[C@H](NCCCCOC(C)C)c1ccc(C#N)cc1 278639654 HMBRSSIYXAEXSG-KRWDZBQOSA-N 274.408 3.804 30 20 CHED C=CCOCCN1Cc2ccccc2C[C@H]1c1ccccc1 549464140 JRLHHXDANZBSEP-FQEVSTJZSA-N 293.410 3.989 30 20 CHED CC(C)(CCC#N)CN1CCC(n2cc(Cl)cn2)CC1 371673121 XHEUMPDNYRGTDJ-UHFFFAOYSA-N 294.830 3.503 30 20 CHED C=CCN(C(=O)[C@H](c1ccccc1)C(C)C)C1CC1 541593364 FOFJJQHGZTZJLX-INIZCTEOSA-N 257.377 3.603 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1c1cccs1 281402737 PSAAMMVWSWPUHL-CHWSQXEVSA-N 278.421 3.949 30 20 CHED C#CCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1 372384605 MAWSMUFGEZIVDD-UHFFFAOYSA-N 270.351 3.510 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccsc1Cl 282036527 UDDZUFGQDGSTHE-QMMMGPOBSA-N 258.774 3.878 30 20 CHED CC[C@@H](Sc1ccccc1)C(=O)N[C@](C)(C#N)C(C)C 554138993 ZASAVWYKYVEMLC-GDBMZVCRSA-N 290.432 3.612 30 20 CHED C=C[C@H](C)NC(=O)c1cccc(N[C@H](C)C(C)C)c1C 465149820 VKPLZAIQUHBTDA-GXTWGEPZSA-N 274.408 3.756 30 20 CHED CC(C)(C#N)CCO/N=C/c1ccccc1OC(F)F 281810971 GWJYOAABZPVKIC-GIJQJNRQSA-N 282.290 3.578 30 20 CHED C=C[C@H](C)NC(=O)c1sc2cccc(F)c2c1C 465119263 LBURQODAXRXRLG-QMMMGPOBSA-N 263.337 3.653 30 20 CHED N#CCCCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 282529847 UVZASOUBRFCAGP-BJWYYQGGSA-N 254.377 3.701 30 20 CHED C=C[C@@](C)(CC)c1nc([C@@H](OC)c2ccc(F)cc2)no1 289768882 POCUOHCKYYBQRF-BBRMVZONSA-N 290.338 3.798 30 20 CHED CC(C)(C#N)CCCCN1CCOCc2ccccc21 280315309 GISRMKHMPJISPI-UHFFFAOYSA-N 272.392 3.743 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 464758099 QFDSTIZWHCWCDI-SMDDNHRTSA-N 278.783 3.761 30 20 CHED C=CCCCCCCNC(=O)c1ccoc1Cl 287008977 KTLHELMJFUYVSL-UHFFFAOYSA-N 255.745 3.799 30 20 CHED C=CCOc1cccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1 554880313 FLLWPKMGRPNETE-XUVXKRRUSA-N 291.394 3.679 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2coc(CCC)n2)no1 288987755 CGZVJFDWOSMDSE-AWEZNQCLSA-N 261.325 3.531 30 20 CHED N#C[C@@]1(C(=O)Nc2ccc3ncccc3c2)CC12CCCC2 294654034 YRXNVOCNKDCJBN-GOSISDBHSA-N 291.354 3.647 30 20 CHED C[C@H](CCC(=O)OCCCSCC#N)c1ccccc1 805512021 ZGGYHJAAXCDESS-CQSZACIVSA-N 291.416 3.760 30 20 CHED C#CCCCc1nc(Cc2c(Cl)cccc2Cl)no1 809245003 GHLYKWCEKRCZJH-UHFFFAOYSA-N 295.169 3.923 30 20 CHED C[C@H](NC1CC(C(F)(F)F)C1)c1ccc(C#N)c(F)c1 557451161 BOQAHWAKKMSZTK-RKWZHAFESA-N 286.272 3.689 30 20 CHED C=CCC[C@@H](C)NC[C@@H]1CCN(c2ccccc2F)C1 291231321 OBYRFJQKMXMCNA-CABCVRRESA-N 276.399 3.596 30 20 CHED C#C[C@H](CC)NC(=O)Nc1ccc(F)cc1OC(C)(C)C 806377557 NTWKFVQFGZQEDL-GFCCVEGCSA-N 292.354 3.536 30 20 CHED CC(C)(CCC#N)CNC(=O)NCC1CCCCCCC1 806494172 MDAWYDGJJZPCIU-UHFFFAOYSA-N 293.455 3.976 30 20 CHED O=C(Nc1ccccc1C(F)(F)F)[C@H](F)C(F)(F)F 297543483 PALGCFPBHJPKDF-ZETCQYMHSA-N 289.150 3.544 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@@H](SC)C1)c1ccccc1 295593638 RQCIOPMOWOJPOT-HZPDHXFCSA-N 289.444 3.700 30 20 CHED C=CCCCCCCNC(=O)NCc1sc(C)nc1C 805154497 KTBKGBQBMIWKLR-UHFFFAOYSA-N 295.452 3.696 30 20 CHED C=C[C@H](CC(=O)NC[C@@H](C)C(F)(F)F)c1ccccc1 476329355 VUTKWKWISGRJJC-VXGBXAGGSA-N 285.309 3.661 30 20 CHED C#CCCCN[C@H]1CCCc2c1[nH]c1ccc(C)cc21 808699472 HOGDDCLEEFXSHW-KRWDZBQOSA-N 266.388 3.857 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cccc(SC(F)F)c1 806252654 KBVVGHUOFZGZOA-SECBINFHSA-N 284.331 3.535 30 20 CHED CC(C)c1ccc(C(=O)OCCO[C@H](C)C#N)cc1Cl 801859583 AIVZHQYGTYVCHR-LLVKDONJSA-N 295.766 3.549 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)C(C)(C)C#N 299129102 CDKHLGMSQBMGHE-UHFFFAOYSA-N 280.371 3.738 30 20 CHED C=CCOCCCN(CC1CC1)C1CCCCC1 470759480 GJOJWCICYVSGHY-UHFFFAOYSA-N 251.414 3.624 30 20 CHED C=CCCCCCCCCNC(=O)c1ccncc1F 807844403 JMPAFWOBCIUINU-UHFFFAOYSA-N 278.371 3.867 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CCOC[C@H]1C 804617886 MKTLHERWTYROPG-CABCVRRESA-N 269.429 3.526 30 20 CHED Cc1cc(Cl)ccc1COc1ccc(F)nc1C#N 808046672 CJYFVFXYQAOCPR-UHFFFAOYSA-N 276.698 3.633 30 20 CHED CC(C)(C(=O)N[C@H](C#N)C(C)(C)C)c1cccc(Cl)c1 291425401 LBEKVOZHXAUBIS-CYBMUJFWSA-N 292.810 3.672 30 20 CHED CC#CCCNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 483423275 SQZJOTNXGJNBGL-HNNXBMFYSA-N 290.794 3.600 30 20 CHED Cc1cc(NN=C[C@H](C)C2CCCCC2)nc(C)n1 814807045 CTPMIGJLXGUIFI-NSHDSACASA-N 260.385 3.708 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(OC)c(O)c2)cc1C 811697462 DJSKVLBWFOIJKL-DAXSKMNVSA-N 298.338 3.614 30 20 CHED COc1ccc(C(C)=NOC/C=C/Cl)c(C)c1OC 811671326 QRFZFDJCZTWMKT-URNYPOLCSA-N 283.755 3.505 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NOC[C@H](C)CC 813825130 CFHNJBBRGPDFKQ-CQSZACIVSA-N 282.428 3.742 30 20 CHED Cn1nc(-c2ccccc2)c(C=NOCC2CC2)c1Cl 814241274 IITJGCRFXDBNED-UHFFFAOYSA-N 289.766 3.501 30 20 CHED COCCC(C)=NN=C1c2ccccc2-c2ccccc21 814779295 JLYRTPSZFRRYLM-UHFFFAOYSA-N 278.355 3.917 30 20 CHED COCC(Cc1ccccc1)=NNc1ccc(C)cc1 814687057 MXKOZBGKBFDVQZ-UHFFFAOYSA-N 268.360 3.652 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1CCCc2ccc(OC)cc21 653784485 STLFPNHSMHJFED-GDBMZVCRSA-N 287.403 3.586 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1cc2ccccc2o1 811667080 OGVNVXOLWCZZGH-CQSZACIVSA-N 294.354 3.824 30 20 CHED CCC(=NNc1cc(Cl)nc(Cl)c1)[C@@H]1CCOC1 819830995 HXBGVHZGBGSBOP-MRVPVSSYSA-N 288.178 3.603 30 20 CHED CC(Cn1cccn1)=NNc1cc(Cl)cc(Cl)c1 814912864 FQJFRDWGXQMTFE-UHFFFAOYSA-N 283.162 3.678 30 20 CHED COc1ccc(O)c(CNc2c(Cl)cccc2C#N)c1 811806154 KHGPRLBMZUFQRV-UHFFFAOYSA-N 288.734 3.538 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(-n2cccc2)cc1 811933100 AXBSZKIWEXDRAD-UHFFFAOYSA-N 293.351 3.663 30 20 CHED C#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 816625152 UMXPBICQDJECPQ-UAPYVXQJSA-N 279.358 3.843 30 20 CHED COc1ccc([C@H](C)CCNc2cc(C)nc(C#N)c2)cc1 574227487 URPVQCGUBWVTAL-CYBMUJFWSA-N 295.386 3.876 30 20 CHED CC(C)CC(CC(C)C)NC[C@@H](O)c1ccc(C#N)cc1 819015957 DCHFFFROCDNCMZ-GOSISDBHSA-N 288.435 3.642 30 20 CHED C=CCCN[C@@H]1CCCOc2c(Cl)cccc21 658116319 IYEWIPBORLIKBO-CYBMUJFWSA-N 251.757 3.719 30 20 CHED C=C(C)CN(C)Cc1cc(F)ccc1Br 481220900 AGXDCZUWYRWPRV-UHFFFAOYSA-N 272.161 3.596 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 815416124 OXGSZCLOKGNGRK-AWEZNQCLSA-N 297.320 3.995 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Cl)cc1 489906879 MNKGLDUJFCUWPL-UHFFFAOYSA-N 251.757 3.672 30 20 CHED C#Cc1cccc(NC(=S)N[C@H]2CCC[C@@H](C)C2)c1 726455801 GTDFTPQFJQTMRQ-OCCSQVGLSA-N 272.417 3.533 30 20 CHED Cc1ccc(Nc2ccccc2C(=O)N[C@@H](C)CC#N)cc1 579389708 KFDSRXNZTVEIJJ-AWEZNQCLSA-N 293.370 3.771 30 20 CHED C=C[C@H](CC)CC(=O)NC[C@H](CC)CC(F)(F)F 822680739 GWUUSEHVKLXHER-GHMZBOCLSA-N 265.319 3.684 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)CSc1ccc(F)cc1 494925947 YXKMSOGNWZDEOJ-ZDUSSCGKSA-N 295.423 3.979 30 20 CHED Cc1c(C(=O)N[C@H]2CCC2(C)C)sc2ccc(C#N)cc12 572906749 GYDBLNUXTSFJTF-AWEZNQCLSA-N 298.411 4.000 30 20 CHED Cc1cccc2c1CC[C@H]2/N=C/c1cccc(O)c1O 729641444 IOBNPMFITFOHKX-BFERYNQYSA-N 267.328 3.513 30 20 CHED C=C[C@H](C)ON=C1CCC(CNC(=O)OC(C)(C)C)CC1 496152863 RCYGNAUQUJUPGL-UEWDXFNNSA-N 296.411 3.648 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2cc(F)ccc21 494368394 MEECPGCRUUVOPB-GOEBONIOSA-N 288.366 3.563 30 20 CHED C=CCC1(N[C@H](C)CCc2ccc(F)cc2)CCOCC1 668550555 BVEKDWNXQUGOFJ-OAHLLOKOSA-N 291.410 3.862 30 20 CHED COc1c(F)cc(NC2CCC(C)(C#N)CC2)cc1F 823512443 BQEDNRSGNLYMFM-UHFFFAOYSA-N 280.318 3.858 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 581702188 FHEJMKNVXFHLPP-LLVKDONJSA-N 290.794 3.910 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CC)c1ccccc1OCC 737043288 HHQQKDKJTKSPLV-ZDUSSCGKSA-N 296.798 3.588 30 20 CHED Cn1ccnc1C(=O)/C=C\c1c(Cl)cccc1Cl 735792802 KPIYIXBRWKHIGL-WAYWQWQTSA-N 281.142 3.623 30 20 CHED C[C@H]1CCN(C(=O)CCCCCC#N)c2c(O)cccc21 589847887 VYZOTMYACZLVJM-ZDUSSCGKSA-N 286.375 3.706 30 20 CHED N#Cc1ccnc(COc2ccc(C3CCC3)cc2)c1 902729573 ZPSHFGIUAFCKEH-UHFFFAOYSA-N 264.328 3.800 30 20 CHED N#Cc1cccc(OCCSCCCCCF)c1 582553233 PBNBXDLADMIVOI-UHFFFAOYSA-N 267.369 3.810 30 20 CHED CC/C=C/CCON=C(C)c1ccc(NC(C)=O)cc1 588483013 IWEBLJZDZWFSCL-HASVTTKBSA-N 274.364 3.742 30 20 CHED C=CCC[C@@H](CCC)NC1CCN(CC(F)(F)F)CC1 584642146 XALQDHSTFJTMDZ-CYBMUJFWSA-N 292.389 3.738 30 20 CHED CCC1(c2noc(CCCCCC#N)n2)CCCC1 589369618 QTEGKENJKLTLCS-UHFFFAOYSA-N 261.369 3.918 30 20 CHED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 497338860 UUOBFABNVDKOHP-RBSFLKMASA-N 276.424 3.601 30 20 CHED N#Cc1cccc(Oc2ccc(Oc3ccccc3)nc2)n1 582154828 RTUSITDGJPTSJU-UHFFFAOYSA-N 289.294 3.933 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1OC1CCCC1 837352124 ABKZXXQJKBIROZ-UHFFFAOYSA-N 285.387 3.996 30 20 CHED N#Cc1ccc(CN2CCC=C(c3ccccc3)C2)cc1F 585756037 SUORZGBVUYRQEN-UHFFFAOYSA-N 292.357 3.987 30 20 CHED C[C@@H](C(=O)OCc1ccc(F)cc1C#N)c1cccs1 738778729 DXQWCIJEEYBKHI-SNVBAGLBSA-N 289.331 3.606 30 20 CHED N#CCCCCCC(=O)Nc1cccc(F)c1Cl 589057592 QRWYGSAAZIOJGW-UHFFFAOYSA-N 268.719 3.892 30 20 CHED C/C(=C(\F)C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1 901171544 KURPWEMBCLRERI-DLEKYWELSA-N 286.350 3.801 30 20 CHED C=CCS(=O)(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 905246066 OOZXDRIDGJRBMJ-MRVPVSSYSA-N 279.188 3.655 30 20 CHED CCc1nc(CSCCCCC2(C#N)CCC2)no1 901757212 GJIRSTKTHQCGFF-UHFFFAOYSA-N 279.409 3.729 30 20 CHED Oc1ccccc1/C=N\CC1(c2ccccc2)CCC1 839388586 KDUAUWSJHOZRNG-UYRXBGFRSA-N 265.356 3.933 30 20 CHED C=CCC(F)(F)C(=O)N(c1ccccc1C)C(C)C 839275738 CFZOGFSRBHTGSF-UHFFFAOYSA-N 267.319 3.948 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(-c2ccccc2)ccn1 909533775 LNZWLESCITZSJE-UHFFFAOYSA-N 294.354 3.845 30 20 CHED C=C(CNC(=O)CC(O)(CCC)CCC)c1ccccc1 673342317 GNOQTEQIQUZFSY-UHFFFAOYSA-N 289.419 3.537 30 20 CHED CC1(C)CN([C@@H](C#N)c2ccccc2)[C@H]1c1cccnc1 596592666 ZXYYYOVCEKGVSK-IRXDYDNUSA-N 277.371 3.729 30 20 CHED CC(=NNc1nc2ccccc2s1)c1ccccc1O 916246352 FCOKIXXAAMPRTG-UHFFFAOYSA-N 283.356 3.838 30 20 CHED CCCCCOc1cc(C)ccc1CNC(=O)C#CC1CC1 837462228 PKUOJOFPIFPTIV-UHFFFAOYSA-N 299.414 3.594 30 20 CHED C#CC[C@H](NC(=O)N1CC(CC)(CC)C1)c1ccccc1 838530075 VMHONGQWZSRFOW-INIZCTEOSA-N 284.403 3.583 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C\c1ccsc1 914610835 HJEFFRTVHJIGJA-HJWRWDBZSA-N 283.396 3.976 30 20 CHED C=C(C)CCNC(=O)c1cc2cccc(C)c2nc1Cl 839410622 JDBNRCQWIDXGKL-UHFFFAOYSA-N 288.778 3.893 30 20 CHED CC[C@@H](C)c1ccc([C@H](C)NC2CCN(CC#N)CC2)cc1 599026751 FLWSRFMBCGWJEH-CVEARBPZSA-N 299.462 3.839 30 20 CHED CCc1ccccc1NN=Cc1c(C)nc2sccn12 915051571 HWTCECYOSVIRHD-UHFFFAOYSA-N 284.388 3.713 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)CCc1ccco1 911737130 ZGGLQFJIJNNEPI-LSDHHAIUSA-N 290.407 3.741 30 20 CHED Cc1ccc2cc(CN3CCC[C@H](CC#N)C3)ccc2n1 597178044 UTOICAXVEBKFKF-OAHLLOKOSA-N 279.387 3.669 30 20 CHED C=CC[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1C)c1ccncc1 745826150 QVHHTCKHGBWTQW-FMKPAKJESA-N 287.407 3.529 30 20 CHED CC[C@H](C#N)N(C)C(=O)C(c1ccccc1)c1ccccc1 594100198 FCSMTGQDTAKHAX-QGZVFWFLSA-N 292.382 3.579 30 20 CHED Cc1ccc2c(C=NNc3cccc([N+](=O)[O-])c3)c[nH]c2c1 917531753 CODOBKCVDJPCFU-UHFFFAOYSA-N 294.314 3.831 30 20 CHED CCCCCCCCOC(=O)c1ccc([S@](C)=O)cc1 918494632 XGPIKQRPHVUEDF-FQEVSTJZSA-N 296.432 3.941 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CC1(C#N)CCCCC1 598833325 DYSNBZSRNUHWHH-UHFFFAOYSA-N 289.423 3.781 30 20 CHED CCOc1ccc(/C=N/CC(C)(C)c2ccccn2)c(O)c1 840708537 XXDWMQFFFGMNPW-XDHOZWIPSA-N 298.386 3.583 30 20 CHED CCC[C@H](C(=O)N[C@H](C)CC#N)c1ccc(Cl)cc1 596994332 FHYCZTNZHTZCMD-RISCZKNCSA-N 278.783 3.642 30 20 CHED C=CCCSCCNC(=O)Nc1ccc(SC)cc1 596661261 LTURMAPOKUOEDS-UHFFFAOYSA-N 296.461 3.839 30 20 CHED CCOc1ccc(C=Nc2cc(F)c(F)c(F)c2)c(O)c1 741165622 PEYZNLGRFKBCPM-UHFFFAOYSA-N 295.260 3.959 30 20 CHED C[C@@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(C#N)cc1 748288288 FWVGIIDXZJATMF-ZDUSSCGKSA-N 299.370 3.501 30 20 CHED C=CCOCCN[C@@H](c1ccc(Cl)cc1F)C(C)C 679770182 OSUXYMNRTILJCX-OAHLLOKOSA-N 285.790 3.968 30 20 CHED Fc1ccccc1C=NNc1cc(F)c(F)c(F)c1 747638932 XETKVKGVSKTTLD-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C=C(C)CONC(=O)N(CC)[C@H](CC)c1ccccc1 845596135 ZIFYYEBAPKJPMN-OAHLLOKOSA-N 276.380 3.677 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)SC1CCCCC1 597011554 CKLZRVCGDVIBCP-ZDUSSCGKSA-N 269.454 3.865 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H](C)c1cccc(CC(C)C)c1 594090954 JBXYLZOYGCVUMA-RHSMWYFYSA-N 286.419 3.749 30 20 CHED Cc1c([C@@H](C)NCCc2ccc(C#N)cc2)cnn1C(C)C 595055427 COJCVKZHTJILIW-CQSZACIVSA-N 296.418 3.537 30 20 CHED C=CCOCCSCc1cc([N+](=O)[O-])ccc1Cl 842185170 CNDUUSGJKOJFOS-UHFFFAOYSA-N 287.768 3.684 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c(C)n1 590780061 ILQMVKUSONKHRI-GFCCVEGCSA-N 283.350 3.560 30 20 CHED Cc1ccccc1CN(C(=O)C#Cc1ccccc1)C1CC1 747355682 WCVIQAFPMCQSPB-UHFFFAOYSA-N 289.378 3.538 30 20 CHED C=C(C)CN(CC)C(=O)NCCC[C@H]1CC1(Cl)Cl 845665672 ZVLIGLLOHUETGM-NSHDSACASA-N 293.238 3.568 30 20 CHED C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)Cc2ccccc21 912728616 YGCUSPYMWHJMCV-LBPRGKRZSA-N 293.326 3.590 30 20 CHED CCc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CC#N)C2)cc1 595425512 FWMSDWJFAAXTGJ-ZBFHGGJFSA-N 299.418 3.645 30 20 CHED CCOCCC(=O)Nc1cccc(C#Cc2cccs2)c1 590453973 HXSDADSMMLIPTJ-UHFFFAOYSA-N 299.395 3.513 30 20 CHED N#CCC1(COC(=O)c2ccccc2C(F)(F)F)CC1 744279310 FSCLOXYBCWGJGV-UHFFFAOYSA-N 283.249 3.556 30 20 CHED CC(C)OC1CCC(NC2CCC(C)(C#N)CC2)CC1 590646666 FEGUGBWSLFRZPZ-UHFFFAOYSA-N 278.440 3.785 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1N1CCCCCC1 593396064 IQJBQIXHVKDBFW-AWEZNQCLSA-N 285.391 3.555 30 20 CHED Cn1ccc(C=NN=C(c2ccccc2)c2ccccc2)c1 749853181 DQDLNKICQHZBBG-UHFFFAOYSA-N 287.366 3.897 30 20 CHED CCCCNN=Cc1ccc(OC)c(O[C@@H](C)CC)c1 749446945 KUHJSUBEWLGMKD-ZDUSSCGKSA-N 278.396 3.596 30 20 CHED COc1cccc(/C=N\[C@@H]2C[C@@]2(C)c2ccccc2)c1O 741465342 UOQLYNJBFLMMPW-PCSWAWGUSA-N 281.355 3.550 30 20 CHED CC1(C)CCCC1=NNCCCOc1ccccc1 749855361 KMHXVKNTSJLQRU-UHFFFAOYSA-N 260.381 3.611 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C)C1CCC1 681604106 LODXBUQNYDFCHX-LBPRGKRZSA-N 275.417 3.883 30 20 CHED COc1ccc([C@@H](C)OC(=O)c2cc(C#N)cs2)cc1 752172687 ATADWFBYBCTVRT-SNVBAGLBSA-N 287.340 3.546 30 20 CHED C=C(C)CNC(=S)N(C)c1ccc(CCCC)cc1 751903345 PLWJEMKPRSKBOP-UHFFFAOYSA-N 276.449 3.916 30 20 CHED C#CCCCCC(=O)Nc1nc(C(C)C)c(C)s1 855237372 JAZNVDWXSSFRLM-UHFFFAOYSA-N 264.394 3.707 30 20 CHED CCCCCCC(C)=NNc1ccc(C(=O)OC)cn1 758126549 ITOSIEHBFDJILW-UHFFFAOYSA-N 277.368 3.626 30 20 CHED C=CCCc1noc([C@H](C)N(CC)C(=O)OC(C)(C)C)n1 858778486 LDSRXFCOUVKFPH-NSHDSACASA-N 295.383 3.506 30 20 CHED CC(C)(CCC#N)CN[C@@H]1CCc2ccc(Cl)nc21 857913359 URUUYDXGRQGBGP-GFCCVEGCSA-N 277.799 3.642 30 20 CHED CCC(=NO[C@@H]1CCCCO1)c1cc(F)ccc1F 755819235 DIKCYVGGJHGSAH-CQSZACIVSA-N 269.291 3.622 30 20 CHED CCN(C(=O)/C(C)=C/c1ccccc1Cl)[C@@H](C)C#N 856074804 CYROSMRUUOUKEU-ZKQHCESOSA-N 276.767 3.504 30 20 CHED CC(C)=C(C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 751364392 QJIXJVQJSNLADK-UHFFFAOYSA-N 270.376 3.904 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2ccc(Cl)nc2C)no1 924240451 RZIKUDOZAADRIS-UHFFFAOYSA-N 291.782 3.871 30 20 CHED C[C@H]1CC(C)(C)c2cccc(NC(=O)CSCC#N)c21 928583662 BIDZOWSWQCMDQB-NSHDSACASA-N 288.416 3.667 30 20 CHED COc1ccc(NN=C(C)c2ccc(F)cc2F)cc1 750926455 YCRHXVSKUPSEEU-UHFFFAOYSA-N 276.286 3.810 30 20 CHED COc1ccc(C)cc1/C=C1\COc2c(F)cccc2C1=O 921267098 XESQCKTUTAEKEK-UKTHLTGXSA-N 298.313 3.801 30 20 CHED CC[C@H]1CCCC(=NN=c2cc[nH]cc2Cl)C1 756839020 PFVPRQQMBLYEEX-JTQLQIEISA-N 251.761 3.525 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCc2ccccc2C1 851204665 BYOSEWBMSKTSFC-XJKSGUPXSA-N 285.387 3.663 30 20 CHED C=C[C@H](OC(=O)c1coc(CCC)n1)c1ccccc1 851451711 LBFXYQPRYNDGJI-AWEZNQCLSA-N 271.316 3.711 30 20 CHED CCCCCC[C@H](C)NN=C1CCC(C(=O)OC)CC1 754949789 LWANSGKDQJSXNW-LSLKUGRBSA-N 282.428 3.654 30 20 CHED CSc1ccc(C(C)=NNC2CC2)c(Cl)c1 758127323 ODXQJTDHLREXQJ-UHFFFAOYSA-N 254.786 3.538 30 20 CHED CCOc1ccccc1CCN[C@H](C)CC(C)(C)C#N 925367171 JADMJBYQSNYZJU-CQSZACIVSA-N 274.408 3.546 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)c2ccc(C)o2)C1 855438174 BZKLKVJMRVXVBZ-ZIAGYGMSSA-N 261.365 3.506 30 20 CHED C#CCCCCNCc1cc(C)c(C)cc1OC(F)F 758498023 UVTPECKFJSTVPR-UHFFFAOYSA-N 281.346 3.798 30 20 CHED Cc1ccc(C#N)c(N2CCC(C)(C)CC(C)(C)C2)n1 699713215 IDFPEAZPGQDWQO-UHFFFAOYSA-N 271.408 3.914 30 20 CHED C#CCCc1noc([C@H]2CC[C@H](C3CCC3)CC2)n1 854031824 TXDSHLCLYSRDSZ-HDJSIYSDSA-N 258.365 3.709 30 20 CHED O=C(C#Cc1ccccc1)Nc1cccc2ccsc12 752474963 NPBCYQTVDZIWND-UHFFFAOYSA-N 277.348 3.892 30 20 CHED C#CCCSc1nc2cc(Cl)cc(C)c2o1 751783392 BYCQIJAXHAEENS-UHFFFAOYSA-N 251.738 3.905 30 20 CHED C=C(C)[C@@H](NC(=O)OCCC)c1ccc(F)c(F)c1 859112818 NOUWGUJMOBOCDC-CYBMUJFWSA-N 269.291 3.718 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ncoc1-c1ccccc1 851210174 ONCDDXVVSGQRBA-GFCCVEGCSA-N 298.342 3.827 30 20 CHED CC(C)C[C@H](CCO)CNc1nc2ccccc2cc1C#N 750029393 ILEZHDAGIKFBOW-AWEZNQCLSA-N 297.402 3.563 30 20 CHED CC(CCc1ccccc1)=NN=c1cc[nH]cc1Cl 756840373 WDHPPXOSGRUYKB-UHFFFAOYSA-N 273.767 3.578 30 20 CHED C(=NNc1ncnc2sccc12)[C@H]1C[C@H]1c1ccccc1 755588490 BZVXKELXSWBYNO-OCCSQVGLSA-N 294.383 3.893 30 20 CHED CCOc1cccc(/C=N\Cc2cc(C)cc(OC)c2)c1O 751523621 OYYTYUYEJMYHNF-UNOMPAQXSA-N 299.370 3.727 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(F)cc2OCC#N)CC[C@H]1C 768519730 WDVAWOMIAGNNFC-DYEKYZERSA-N 276.355 3.965 30 20 CHED CO[C@@H](C)C(C)=NN[C@@H](C)c1ccc(C(C)C)cc1 763170004 ZRHHKUDJXMBNKA-KBPBESRZSA-N 262.397 3.871 30 20 CHED C#CC[C@H](CCOC)N[C@@H](C)c1cc2ccccc2o1 862547868 RLJCQHKXBQWWDK-DZGCQCFKSA-N 271.360 3.512 30 20 CHED COc1ccc(C(C)=NNc2cccc(C#N)c2)c(F)c1 767336701 SYGDVECNWJWRCC-UHFFFAOYSA-N 283.306 3.542 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(F)c(Cl)c2Cl)cn1 761475994 HIVHFCQQXPXPQC-HYXAFXHYSA-N 299.132 3.762 30 20 CHED CCCCCCCNC(=O)c1[nH]c2c(c1C)C(=O)CCC2 862359858 UCCFHJNIOWXVPW-UHFFFAOYSA-N 290.407 3.542 30 20 CHED CC(=NNc1ccc2ccccc2n1)c1cscn1 767893824 STBJBYTZXXSZEV-UHFFFAOYSA-N 268.345 3.527 30 20 CHED CSCCC=NNc1ncc(C(F)(F)F)cc1Cl 864372535 ROBZSCKEOGCOPA-UHFFFAOYSA-N 297.733 3.905 30 20 CHED Cc1cc(/C=C2/Cc3ccccc3C2=O)cnc1Cl 760264248 MJYBDIFIBLBARD-QPEQYQDCSA-N 269.731 3.866 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H]1CCc2ccccc21 878076932 XROXJPRTAGYQJD-HNNXBMFYSA-N 257.377 3.735 30 20 CHED C=CCCCCNC(=O)C(F)(F)c1ccccc1C 1116629914 UNJHVYVROHBPTL-UHFFFAOYSA-N 267.319 3.559 30 20 CHED C#CCCCCC(=O)OCc1csc(-c2ccco2)n1 773647784 IYLLPLNJCURGQJ-UHFFFAOYSA-N 289.356 3.640 30 20 CHED COc1cc(Cl)ccc1NC[C@@H](C)CCC#N 877417295 OTEFVUKFLUSOIO-JTQLQIEISA-N 252.745 3.700 30 20 CHED CC[C@]1(C)CCCN(Cc2ccc(C#N)c(C)c2)C1 1560644515 BLXWVYDLZWZPDN-QGZVFWFLSA-N 256.393 3.879 30 20 CHED C=CC[C@@H](N[C@@H](C)c1csc(C)n1)c1ccncc1 772864502 JKHKJLZLZFIGPE-SMDDNHRTSA-N 273.405 3.815 30 20 CHED Cc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)s1 776361519 QARFFANRSDILTH-GFCCVEGCSA-N 263.362 3.686 30 20 CHED CC[C@H](NCCc1cnc(C)s1)c1ccc(C#N)cc1 774266664 RLCGEOHVDSCIPS-INIZCTEOSA-N 285.416 3.607 30 20 CHED CCCOc1cc(C=NOC2CCCC2)ccc1OC 774606869 BXDUBKQUIXXTNU-UHFFFAOYSA-N 277.364 3.777 30 20 CHED C=CCCCc1nnc(-c2cccc3ncccc23)o1 1118356106 WTCBKAAWDZQOEE-UHFFFAOYSA-N 265.316 3.794 30 20 CHED C#CCSCCN[C@H]1CC=C(c2ccc(F)cc2)CC1 779411999 IWFIEILGRHSRKS-KRWDZBQOSA-N 289.419 3.718 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1ncoc1C 770756014 OQFNCNWQPOAOMX-ZDUSSCGKSA-N 295.427 3.779 30 20 CHED C[C@H]1CCC[C@H](CCON=C2CCCOCC2)C1 778600690 LWUDADCMMAUHCB-UONOGXRCSA-N 253.386 3.776 30 20 CHED C=C1CCC(C(=O)N(C)c2cc(F)ccc2F)CC1 888622165 YLHFLNKSGCRLEG-UHFFFAOYSA-N 265.303 3.674 30 20 CHED C=CCCOCCCCC(=O)Oc1cccc2ncccc12 776207245 FFQYGOUISYNNEY-UHFFFAOYSA-N 299.370 3.903 30 20 CHED C=CCCC[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccccc1 883198142 AZCDEAAZXRMTEU-JQHSSLGASA-N 271.404 3.611 30 20 CHED C#CCCCCCC(=O)Nc1cc(F)ccc1C(C)=O 784716917 HGPBYCHPWMQTFU-UHFFFAOYSA-N 275.323 3.551 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC[C@H](C)[C@H]2C)n1 781126157 APRRCHHHTIBSRN-DTWKUNHWSA-N 266.776 3.662 30 20 CHED O=C1/C(=C\c2cc3ccccc3o2)Cc2cc(O)ccc21 780189337 ZXHFYVHTIFKBBT-RAXLEYEMSA-N 276.291 3.961 30 20 CHED CCn1ccnc1S[C@H](C)c1cccc(C#N)c1 785443423 JBKNEHQCIBEVBM-LLVKDONJSA-N 257.362 3.628 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(F)c1 1129459342 IAVXQKVREBDTGG-RISCZKNCSA-N 274.339 3.852 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](CC)CC(F)(F)F 1123625171 QGDHGUTVDPCBMG-NEPJUHHUSA-N 292.345 3.858 30 20 CHED N#CCCCCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 786417871 LWNOXYZAGLUAEU-NXEZZACHSA-N 283.780 3.742 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H](c2ccccc2)C1 1120656503 GPWWWQCHEQOSHF-MRXNPFEDSA-N 257.377 3.749 30 20 CHED C#CCC(C)(C)C(=O)OCc1cc(Cl)ccc1F 787790187 DDZXNGXEKWFFRY-UHFFFAOYSA-N 268.715 3.572 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)cc1 899343543 ZXVJYVFLOPZUJJ-WDZFZDKYSA-N 295.386 3.570 30 20 CHED C#Cc1ccc(C(=O)N2CCCC3(CCCCC3)CC2)nc1 787353550 FPNJTNFVUSSMPU-UHFFFAOYSA-N 296.414 3.640 30 20 CHED Cc1nc(Cl)cc(NN=C2CCC23CCCC3)n1 788717239 USLRMZNMIGDPTI-UHFFFAOYSA-N 264.760 3.561 30 20 CHED CC(C)(C)CCNN=Cc1c[nH]c2cccc(F)c12 782903473 WCLZAYYJUWWXOB-UHFFFAOYSA-N 261.344 3.667 30 20 CHED C=CCCCCCOC(=O)c1c(Cl)nc2ccccn12 782981335 PCUNUFBMSXWMTP-UHFFFAOYSA-N 292.766 3.891 30 20 CHED CC1(C)C[C@H](NN=C2CCc3cc(Cl)ccc32)CCO1 780241037 KZRVTNLYHBPPTH-CYBMUJFWSA-N 292.810 3.538 30 20 CHED N#Cc1cc(C(=O)OCC2(c3ccccc3)CCCC2)c[nH]1 789446961 NFKMVPBJGOIYHC-UHFFFAOYSA-N 294.354 3.555 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)C(C#N)(CC)CC 890617524 WWYJQRUNUYMAGK-OAHLLOKOSA-N 270.376 3.810 30 20 CHED C=CCC1(N[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCOCC1 895365909 HNINMLSXZQAFBL-HUUCEWRRSA-N 295.467 3.684 30 20 CHED Cc1cccc(CN(C)Cc2cccc(C#N)c2)c1F 1137679197 ZZQYCQKBHLVLEU-UHFFFAOYSA-N 268.335 3.638 30 20 CHED Cc1cc(N2CCC[C@H](C#N)C2)c2ccc(F)c(F)c2n1 895651430 YMZHZZJTSIHNPO-LLVKDONJSA-N 287.313 3.561 30 20 CHED C#CCN(Cc1cc(C)ccn1)[C@H]1CCc2ccccc21 792209663 GKEYUVUKTGPLHH-IBGZPJMESA-N 276.383 3.513 30 20 CHED C=CCN(CCc1ccccc1)CC[C@@H](O)c1ccccc1 795876765 BMACMDNNTGOOIG-HXUWFJFHSA-N 295.426 3.841 30 20 CHED COCCCON=Cc1ccc(OCc2ccccc2)cc1 795041250 ABZDZYLHORBWOD-UHFFFAOYSA-N 299.370 3.653 30 20 CHED COc1ccc(C=NN2CCC(C(C)(C)C)CC2)cc1C#N 790178572 CFBWOJMVCUUPGC-UHFFFAOYSA-N 299.418 3.659 30 20 CHED CC(C)(C)C1CCN(N=Cc2cccc([N+](=O)[O-])c2)CC1 790178901 NQOURMOHSYGJBQ-UHFFFAOYSA-N 289.379 3.687 30 20 CHED FC(F)(F)c1cc(C=NNc2ccccc2Cl)[nH]n1 799465580 KKLMLKAEOIGHQD-UHFFFAOYSA-N 288.660 3.528 30 20 CHED Cc1cccnc1NN=Cc1nc(C(C)C)n2ccccc12 790192977 MJQUCIIKHXVKBC-UHFFFAOYSA-N 293.374 3.607 30 20 CHED O=C1/C(=C\c2cccnc2Cl)CCc2ccc(O)cc21 794960307 QRMQNMBBFCMEAG-FLIBITNWSA-N 285.730 3.653 30 20 CHED CCO[C@@H]1CCCC1=NNc1c(C)cccc1CC 799492628 RBJGAPGLJQDCBY-OAHLLOKOSA-N 260.381 3.914 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cc(C)n(C)n1 799884753 SMLSZXGRCADGAI-UHFFFAOYSA-N 284.407 3.862 30 20 CHED CC(C)(C(=O)[C@H](C#N)c1ccc2ccccc2n1)C(F)F 796629124 NQEDBDADGOVUON-LLVKDONJSA-N 288.297 3.702 30 20 CHED C=C[C@@H](CC(=O)O[C@@H](C)c1cc(C)on1)c1ccccc1 798204648 OCHZJDVUMUJTBN-KBPBESRZSA-N 285.343 3.947 30 20 CHED CC(C)[C@@H]1CCCC(=NN[C@@H](CO)c2ccccc2)C1 794538676 UUZUNSRYHJKWBS-WBVHZDCISA-N 274.408 3.512 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl 796461427 GLJHJIFNEIXQEI-UHFFFAOYSA-N 297.738 3.894 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cccc(-c2nc(C)cs2)c1 791202952 XHQQKWQXRCRJKQ-HNNXBMFYSA-N 298.411 3.650 30 20 CHED Cc1ccc2c(c1)[C@@H](Nc1nc(C#N)c(Cl)s1)CO2 1306995531 QWFBDRAYNTUQKQ-JTQLQIEISA-N 291.763 3.522 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1Cl)[C@H]1CC1(C)C 1163529979 DWFKOSGVRJWEQU-PWSUYJOCSA-N 263.772 3.843 30 20 CHED C=C(C)[C@H](CC(=O)N(CC)Cc1ccccc1F)OCC 1319491176 RWIUKBUNZJXICS-INIZCTEOSA-N 293.382 3.546 30 20 CHED CC1(C)C[C@@]1(C)Nc1ccc(C#N)c(Br)c1 702351888 PTPVRQPZHLGUBD-CYBMUJFWSA-N 279.181 3.921 30 20 CHED C=CC(C)(C)C(=O)Nc1ccn(C2CCCCC2)n1 1324438311 MCJCMNIAPSRQPR-UHFFFAOYSA-N 261.369 3.539 30 20 CHED C#CCCCCCC(=O)O[C@H]1c2ccccc2OC[C@H]1C 1320242399 OYSFDVRLSJQNQS-RDTXWAMCSA-N 286.371 3.883 30 20 CHED N#Cc1ccc(F)c(COc2ccc(C#N)c(Cl)c2)c1 190259002 MEFXVXJGUFZUNG-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CC(C)(C)CN(CCC#N)c1ccc([N+](=O)[O-])cc1F 759276100 RMMFZJLMHYKSJP-UHFFFAOYSA-N 279.315 3.500 30 20 CHED CCO[C@H]1C[C@@H](Nc2ccc(CC#N)cc2)C12CCC2 87709854 DIYHTRSUGBTBEU-CVEARBPZSA-N 270.376 3.512 30 20 CHED CN(c1ccnc(C#N)c1)[C@H]1CCC[C@@H]1c1ccccc1 1186675431 KUHDHJTYEOGTJJ-MSOLQXFVSA-N 277.371 3.726 30 20 CHED C=C(C)CCC(=O)N1Cc2ccc(Br)cc2C1 1336433551 MLGBKTYBWTWEDG-UHFFFAOYSA-N 294.192 3.648 30 20 CHED CN(Cc1ccccc1O)Cc1ccc(C#N)cc1Cl 784340273 OGSDWLFCQKJUMY-UHFFFAOYSA-N 286.762 3.549 30 20 CHED C=CCC1(C(=O)NC[C@]2(C)CC2(Cl)Cl)CCCC1 1330694845 IJKYWBKXWKRLDV-LBPRGKRZSA-N 290.234 3.823 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@@H]1CCCc2cccnc21 1263617246 AHJSNXTXVTVNHO-GXTWGEPZSA-N 259.349 3.605 30 20 CHED C=C(C)CCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 1262584100 QQCRVDBUVZEKLU-UHFFFAOYSA-N 295.386 3.535 30 20 CHED N#Cc1ccc(-c2nnc(CCc3ccccc3F)o2)cc1 1341532887 UDDKPOYBPFZGIO-UHFFFAOYSA-N 293.301 3.533 30 20 CHED Cc1ccc(OC[C@H](C#N)CCC#N)c2c1[C@@H](C)CC2=O 1349499431 WHXFNCRMQWORTP-STQMWFEESA-N 282.343 3.507 30 20 CHED C=CCC[C@H]1CCCN1C(=O)NC[C@@H]1CCCC1(F)F 1263108862 IZNFPJAMXNQKDC-STQMWFEESA-N 286.366 3.562 30 20 CHED C=C(C)CCC(=O)Nc1cc2c(cc1Cl)OCCCO2 1262582453 VWSJTTVNEALOEQ-UHFFFAOYSA-N 295.766 3.796 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1cc(C#N)ccc1F 1275425685 LGMSRSJUKOLKEU-LBPRGKRZSA-N 282.318 3.748 30 20 CHED Cc1ccc(O[C@H](C)C(=O)O[C@@H](CC#N)c2ccco2)cc1 1350312303 SQERKEJNIUDODG-CJNGLKHVSA-N 299.326 3.554 30 20 CHED CCC[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1OC 1356241251 LAFQTJRLHQOCHZ-CQSZACIVSA-N 288.391 3.968 30 20 CHED N#CC[C@@H](OC(=O)[C@H]1CC2CCC1CC2)c1ccco1 1350312408 VMUCWIVUWTVVDW-NSOJWWLLSA-N 273.332 3.604 30 20 CHED C=C(C)CCC(=O)Nc1cc(Cl)cnc1Cl 1518229692 GSIWBHAXFCMAMN-UHFFFAOYSA-N 259.136 3.683 30 20 CHED CC1(C)[C@H]2CN(c3c(C#N)cnc4c(Cl)cccc34)C[C@H]21 1458205322 QJJMOFHWCOUTTM-BETUJISGSA-N 297.789 3.852 30 20 CHED C=C(CC(C)C)C(=O)Nc1scnc1C(C)C 1528478021 WODSGHMGZKKAFZ-UHFFFAOYSA-N 252.383 3.807 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccc(F)cc1 1526048281 YMJKSMSXSQXVKH-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED CC(C)(C)CN(CCC#N)Cc1ccc2c(c1)CCCO2 1474339073 BNABPVDFVXZDCI-UHFFFAOYSA-N 286.419 3.773 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(F)c(C#N)c1)CCC2 1615490647 QJLSHSWDPFZSOS-UHFFFAOYSA-N 280.346 3.959 30 20 CHED CC[C@H](Cc1cccc(C)c1)C(=O)N(CC)C[C@@H](C)C#N 1543049610 PPUYBZHZOKZPFI-DOTOQJQBSA-N 286.419 3.572 30 20 CHED CC(C)c1ccc(NC(=O)c2ccccc2CC#N)cn1 1558480356 UYLPVBUSLTVLFL-UHFFFAOYSA-N 279.343 3.523 30 20 CHED CCOc1ccc(Sc2cc(C)ncc2C#N)cc1 1639211175 UTWHDSHDGZANCB-UHFFFAOYSA-N 270.357 3.812 30 20 CHED COc1ccc(Cl)c(CSc2cccnc2C#N)c1 1641128489 RJFUJBZRHUIMFI-UHFFFAOYSA-N 290.775 3.908 30 20 CHED CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CC1(C)C 1647873611 WVBHPWDCPROFER-ZDUSSCGKSA-N 294.345 3.638 30 20 CHED C=CC[C@H](C(=O)O)N1CCCc2cc(C(C)(C)C)ccc21 1573351135 PSBUTHWCSOEMDF-MRXNPFEDSA-N 287.403 3.766 30 20 CHED CC(C)(C)O[C@H]1C[C@H](Nc2cccc(C#N)c2)C1(C)C 1658695135 FZAQFYSJYJJAQK-GJZGRUSLSA-N 272.392 3.952 30 20 CHED Cc1ccc(Oc2ncc(C#N)cc2F)cc1Cl 1651149133 KNGZZJGXNPVNHA-UHFFFAOYSA-N 262.671 3.847 30 20 CHED Cc1cc(N(Cc2cccc(F)c2)C2CC2)ncc1C#N 1651401196 CIGJTNJLUBELHZ-UHFFFAOYSA-N 281.334 3.570 30 20 CHED Cc1ccc(CC(C)(C)NC(=O)c2ccc(C#N)cc2)cc1 1585408808 NIJXFMYEINUOHY-UHFFFAOYSA-N 292.382 3.618 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2C[C@H]3CCC[C@H]2C3)n1 1643279188 TXOSEOCGOKVCKB-JSGCOSHPSA-N 269.392 3.630 30 20 CHED O=C(/C=C/c1cccc(C(=O)O)c1F)c1ccc(F)cc1 1776131697 ZJKGYSUUPTTWTK-RMKNXTFCSA-N 288.249 3.559 30 20 CHED N#Cc1cccc(NC(=O)c2cc3ccccc3cc2O)c1 11371529 JBRJUBLPWHNKLZ-UHFFFAOYSA-N 288.306 3.669 30 20 CHED C=CCC(CC=C)C(=O)NCc1coc(-c2ccccc2)n1 150856946 OGEMGUQIYFARPM-UHFFFAOYSA-N 296.370 3.726 30 20 CHED C=CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 161536485 KTALJUZSRWAIKN-QWRGUYRKSA-N 284.186 3.741 30 20 CHED CCOCCC1(CNc2nc(C)ccc2C#N)CCCC1 161843290 OKRFMVVTGMOWKJ-UHFFFAOYSA-N 287.407 3.661 30 20 CHED CCCN(CC#N)C(=O)/C(C)=C/c1cccc(Cl)c1 158092339 XYLROVJCMTUJTK-ZRDIBKRKSA-N 276.767 3.505 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl 153785121 HRKNMPLLOHXZJX-UHFFFAOYSA-N 292.125 3.512 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1c(C)noc1C)C2=O 157594801 LIFODCAUNSMLMV-DOQDJBIESA-N 267.328 3.983 30 20 CHED CC(C)Oc1ccc(NC(=O)N[C@@H]2C=CCCC2)cc1C#N 157619969 QZVDJSNHLDMHKB-CQSZACIVSA-N 299.374 3.576 30 20 CHED C=CCN(C)C(=O)NCC1(Cc2ccccc2)CCCC1 155750138 ZHBNSYLFKOODKK-UHFFFAOYSA-N 286.419 3.617 30 20 CHED C=CCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl 154181599 RDROYAJUGSYEKD-UHFFFAOYSA-N 283.158 3.733 30 20 CHED C=CCC[C@H](NC(=O)[C@H](O)c1ccccc1)c1ccccc1 154448404 ZIYAPSLYFAKTQC-ZWKOTPCHSA-N 295.382 3.544 30 20 CHED C[C@@H](C#N)Oc1ccc(-c2nc3cccc(F)c3[nH]2)cc1 154753947 ZYFGWZJMBOAELC-JTQLQIEISA-N 281.290 3.660 30 20 CHED COc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 19964049 AZUDYSBJVHPRDD-GFCCVEGCSA-N 252.317 3.740 30 20 CHED C#Cc1ccc(CNc2cc(Cl)ccc2OC)cc1 809598884 XETWSZUYJAJFQY-UHFFFAOYSA-N 271.747 3.942 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1C[C@H]2CC[C@H]1C2 251515374 IVDLODNUSXZAQP-DSPQJCBJSA-N 272.367 3.612 30 20 CHED N#Cc1ccccc1OCc1nc2ccccc2s1 3618274 FEMFFQPWMIQMBB-UHFFFAOYSA-N 266.325 3.747 30 20 CHED CC(C)C(C)(C)CNc1ccc(C#N)c([N+](=O)[O-])c1 232804557 MYKQOQZGYUJZMO-UHFFFAOYSA-N 261.325 3.561 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2ccc(C#N)cc2)c1 124837265 IRAFASLDLIZRNH-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@@H]1C[C@H](C)O 124922798 IHTACUKZWNJHIS-JKSUJKDBSA-N 283.456 3.889 30 20 CHED N#Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl 8177768 DJHWEDKBHHRBTP-UHFFFAOYSA-N 274.663 3.912 30 20 CHED Cc1ccc(OCCCOc2cccc(C#N)c2)cc1 34675075 IUDJGTSOKMJQGC-UHFFFAOYSA-N 267.328 3.715 30 20 CHED CC(C)N(CCC#N)Cc1ccc(OC(F)(F)F)cc1 42530770 LXTXFTPLSNRUBX-UHFFFAOYSA-N 286.297 3.709 30 20 CHED Cc1cc(C)cc(C(=O)N[C@@H](C#N)C2CCCCC2)c1 40360687 PJVFVEKMJNIAAU-INIZCTEOSA-N 270.376 3.506 30 20 CHED C#C[C@H](CCC)NC(=O)[C@@H](c1ccccc1)[C@H](C)CC 300422594 IYRAYMCVARRULO-DJIMGWMZSA-N 271.404 3.734 30 20 CHED N#Cc1cc(CN2CCC[C@@H]3CCCC[C@H]32)ccc1F 300406389 XLFLWWGPJWKZSO-WMLDXEAASA-N 272.367 3.852 30 20 CHED N#Cc1ccc(Sc2nc(-c3ccccc3)cs2)nn1 301911925 GTMKWBLPBXVJRP-UHFFFAOYSA-N 296.380 3.623 30 20 CHED COCc1cccc(CNc2cc(C)cc(C#N)c2)c1 308152472 KOHAAXKNPMLYSY-UHFFFAOYSA-N 266.344 3.625 30 20 CHED N#CCCCS[C@H]1CCCN(Cc2ccccc2)C1 583564619 ZEDLLTUJZCUOHB-INIZCTEOSA-N 274.433 3.688 30 20 CHED CC1(C)CN(Cc2ccc(C#N)cc2F)[C@@H]2CCC[C@@H]21 378813923 AUDOMSISPOUTKU-GOEBONIOSA-N 272.367 3.708 30 20 CHED N#CCC1(CN2CCC[C@@H](C3CCCCC3)C2)CC1 708224166 TZUZBGGAZMXMCW-MRXNPFEDSA-N 260.425 3.973 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1cc(C(=O)O)c(C)o1 692254161 MOQBXSBWBCOYQJ-IUODEOHRSA-N 277.364 3.511 30 20 CHED COc1cc(C#N)cc(OC[C@@H]2CCCCC2(F)F)c1 382151067 OILNBFQWGIKZPT-LBPRGKRZSA-N 281.302 3.771 30 20 CHED C#CCN(Cc1ccccc1)Cc1cnc(Cl)c(C)c1 809716550 PTFZKZANHIFKQT-UHFFFAOYSA-N 284.790 3.679 30 20 CHED CC1(C)CCCN(Cc2ccc3occc3c2)[C@H]1C#N 348427360 WLPHIVNUHSCDEP-INIZCTEOSA-N 268.360 3.947 30 20 CHED CCCCCCC[C@H](C)NC1CCC(C(=O)O)CC1 114804194 NVTAREYRLFSOOS-NFOMZHRRSA-N 269.429 3.968 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2cccnc2C)cc1OC 108953323 PGSZYRCIQDAWQS-BQYQJAHWSA-N 297.354 3.612 30 20 CHED N#CCc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 102952358 IJHWEBBRWAWNNV-MRXNPFEDSA-N 283.375 3.549 30 20 CHED Cc1ccc(C[C@H]2CCCN(c3ccc(C#N)cn3)C2)cc1 50953080 KKUYDPAHPAYYIL-QGZVFWFLSA-N 291.398 3.721 30 20 CHED CCCCC[C@H](C)CC(=O)N[C@](C)(C#N)C(C)C 172946637 SBXLZCUDQDJZGF-DZGCQCFKSA-N 252.402 3.647 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](OC1CCCC1)c1ccccc1 116859048 JHBLXTOWRKXYNE-YOEHRIQHSA-N 287.403 3.768 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 177871556 FSSJETXPWUFFTA-VIFPVBQESA-N 271.332 3.601 30 20 CHED C[C@H](NCCc1cc(F)cc(F)c1)c1cccc(C#N)c1 60717972 CLPHIBAPUXZULD-LBPRGKRZSA-N 286.325 3.730 30 20 CHED C=CCN(Cc1cccs1)C(=O)CC[C@@H]1CC[C@@H](C)O1 175003142 QJRPDLNPQWZXGH-KGLIPLIRSA-N 293.432 3.610 30 20 CHED CCCCCN(CCCCC)C(=O)c1cc(C#N)c[nH]1 175342251 LXWKBGXFNFWNBW-UHFFFAOYSA-N 275.396 3.709 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc2c(cc1Cl)OCO2 176907166 QTENXKZVLGCYEB-UHFFFAOYSA-N 293.750 3.776 30 20 CHED C=C(C)COC(=O)[C@@H](OC(C)(C)C)c1ccccc1 178995102 KAVIOSSZAZMPAO-AWEZNQCLSA-N 262.349 3.662 30 20 CHED C=CC1CCN(C(=O)C[C@H](C)c2ccc(F)cc2)CC1 110366546 BKMNLUIIAFKRDI-ZDUSSCGKSA-N 275.367 3.744 30 20 CHED CCOc1ccccc1N[C@@H](C#N)C1CCCCC1 115605893 SEZDQESMSVTDBC-HNNXBMFYSA-N 258.365 3.970 30 20 CHED CN(Cc1cc2ccccc2o1)C(=O)c1ccc(C#N)cc1 173929892 CAERGPOJMAWWIA-UHFFFAOYSA-N 290.322 3.577 30 20 CHED C[C@H](Nc1ccc(C#N)nn1)C1(c2ccccc2)CCCC1 302420661 OAFITTGEAZNKAK-AWEZNQCLSA-N 292.386 3.661 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1C 62368301 MHDMRIZAXYCPLN-UHFFFAOYSA-N 296.345 3.801 30 20 CHED Cc1c(CNC(=O)C2(C#N)CCCCC2)oc2ccccc12 115100427 RPBPXQPMSCYEBZ-UHFFFAOYSA-N 296.370 3.832 30 20 CHED CCc1ccc(CN(CCC#N)Cc2ccccn2)cc1 174832768 APGUXOFMMHHQLT-UHFFFAOYSA-N 279.387 3.560 30 20 CHED N#Cc1cc2c(nc1NC[C@H]1CCCC(F)(F)C1)CCC2 409646591 VPWXOSWHHQEMND-NSHDSACASA-N 291.345 3.679 30 20 CHED CN(Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 301739443 SZJKHYCXHRFTKE-UHFFFAOYSA-N 297.305 3.670 30 20 CHED CCOc1ccc(CNc2cc(C)cc(C#N)c2)cc1OC 308113367 RVMJAGWOKCTMIJ-UHFFFAOYSA-N 296.370 3.886 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 60132458 OORIMKLRUMURLO-HWKANZROSA-N 280.323 3.928 30 20 CHED C=CCC(CC=C)C(=O)NCCOc1ccc(Cl)cc1 176896162 GSMUMRFMIIPRAN-UHFFFAOYSA-N 293.794 3.603 30 20 CHED CN(CCCCC#N)Cc1cccc(OC(F)(F)F)c1 128128644 AGIBTRHIRVDYMI-UHFFFAOYSA-N 286.297 3.711 30 20 CHED C=CCC[C@H](CC)NC[C@H](O)c1ccc(Cl)cc1 120502286 MGSNBZLEGXTCDP-GJZGRUSLSA-N 267.800 3.708 30 20 CHED C=C[C@H](C)NC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 127632906 LBLNBYMOZYWAET-CMPLNLGQSA-N 295.452 3.852 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1ccc(C)cc1C 125254054 RZPIJQXQDSAGLC-HNNXBMFYSA-N 275.392 3.638 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C(=C)C)c1ccc(F)c(F)c1 187986157 YMDPSNPTHVJHND-IAQYHMDHSA-N 294.345 3.846 30 20 CHED C[C@H]1CCCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 185703147 SNMDZYQAHCEOAQ-RDJZCZTQSA-N 299.418 3.863 30 20 CHED CCSCc1cccc(NC(=O)N(CC)CCC#N)c1 78618013 AXABMCMWQOJREU-UHFFFAOYSA-N 291.420 3.707 30 20 CHED C=C(C)[C@H](NC(=O)c1ccc(C)o1)c1ccc(F)c(F)c1 186055642 OJGPVPYIXPNDGI-HNNXBMFYSA-N 291.297 3.913 30 20 CHED Cc1cc(NCC(C)(C)CCC#N)ccc1N(C)C 120160277 LKHNFSZVGPZZGW-UHFFFAOYSA-N 259.397 3.803 30 20 CHED N#Cc1cccc(CNC2CC(c3ccc(F)cc3)C2)c1 37748847 ZLJNSNCNODPWDA-UHFFFAOYSA-N 280.346 3.733 30 20 CHED Oc1ccc2ccccc2c1/C=N/[C@@H]1CCCOCC1 182699487 VBUNKSKWMZZJDT-CRRKTRLDSA-N 269.344 3.533 30 20 CHED N#Cc1cc(F)ccc1CN[C@@H](c1ccccc1)C1CC1 128099660 JFTFXUKAXVGOER-SFHVURJKSA-N 280.346 3.938 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCC1(C#N)CCOCC1 410384841 WGUNTKLHXZQNMN-IKGGRYGDSA-N 290.451 3.740 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)/N=C2/NCCS2)cc1 78024705 QXZOJIMJFHVGCR-GFCCVEGCSA-N 290.432 3.523 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OC(C)C)cc1F 181664046 OWYSQNDXUVWNBE-UHFFFAOYSA-N 280.343 3.653 30 20 CHED CC(C)(C#N)CCCCN1CCC2(CCOCC2)CC1 375304350 SFAHGJOCNRRNSB-UHFFFAOYSA-N 278.440 3.599 30 20 CHED N#CCCCOc1cccc(CN[C@@H]2CCCC[C@H]2F)c1 414513247 OVUMQUKFXFXHOS-IAGOWNOFSA-N 290.382 3.739 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCCOC(C)C)c2c1 182641826 RZKJOGLCWXIZBS-UHFFFAOYSA-N 283.375 3.560 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H]1CCC[C@H]1C 186844839 VBKVPBGUJIIWQW-ZIAGYGMSSA-N 264.413 3.791 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 182953505 IHXAEVRAIWFOSF-HUUCEWRRSA-N 286.419 3.977 30 20 CHED N#Cc1cc(F)ccc1CSc1nnc(C2CC2)s1 74796580 GEUCOXWTYWMIBH-UHFFFAOYSA-N 291.376 3.719 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)cc1OCCC 120276449 SOKAKMVNXNDBBP-UHFFFAOYSA-N 277.339 3.747 30 20 CHED CC#CCCCC(=O)N[C@H](CC(C)(C)C)C(F)(F)F 186019038 YLLHQJJYSXERLU-LLVKDONJSA-N 277.330 3.663 30 20 CHED C[C@@H](NCC(C)(C)CC#N)c1cc(F)ccc1F 414163911 JLYRFHQDOLGXMJ-SNVBAGLBSA-N 252.308 3.555 30 20 CHED COc1ccccc1CN(C)[C@@H](C)c1cccc(C#N)c1 189346471 JKYWDMXRAMRZOB-AWEZNQCLSA-N 280.371 3.760 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 131795656 SXZBGMDOMITPRZ-OAHLLOKOSA-N 271.364 3.601 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1cccc2ccccc12 181665630 BSYMEDMXZXJRLA-GOEBONIOSA-N 269.388 3.818 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)C(C1CCC1)C1CCC1 416016103 RMGUUMSVHKYPGT-UHFFFAOYSA-N 294.398 3.664 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)o1 506995090 PMFGTGJTMUIRPW-CABCVRRESA-N 294.354 3.607 30 20 CHED Cc1c2c(nc3cc(F)ccc13)CC[C@](C)(C#N)C2 416394274 WWNOOYNYSVNPCX-INIZCTEOSA-N 254.308 3.701 30 20 CHED Cc1cc(C#N)ccc1Oc1cc(C(C)C)ncn1 609574723 FJTDMNYIZWWAMI-UHFFFAOYSA-N 253.305 3.572 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1cc(C#N)cs1 84139999 JXRFHKQJLNKYAE-VXGBXAGGSA-N 284.384 3.542 30 20 CHED C=CCCCC(=O)NCCc1cc2ccccc2s1 506661162 KVFYKRPWIORGBU-UHFFFAOYSA-N 273.401 3.916 30 20 CHED Cc1cccc([C@H](C)CNC(=O)c2cccc(C#N)c2C)c1 509946570 XFNDYBCOLZXXOT-CQSZACIVSA-N 292.382 3.709 30 20 CHED CCN(CCC(C)(C)C#N)Cc1c(F)cccc1F 131406718 UTWGVUYCTGECSG-UHFFFAOYSA-N 266.335 3.727 30 20 CHED N#CC1(CC[S@](=O)C2CCCCC2)CCCCC1 414265327 UYWJKBJIUIYILV-SFHVURJKSA-N 267.438 3.932 30 20 CHED C=CCC1(C(=O)NCC(C)(C)c2ccccc2F)CCC1 190881294 PWZNVSFIWXHITR-UHFFFAOYSA-N 289.394 3.966 30 20 CHED C#CCN[C@@H](c1c(Cl)cccc1Cl)C1CC1 381488370 KVZUYFOTRRSYMD-CYBMUJFWSA-N 254.160 3.667 30 20 CHED C#CCCCC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 192183850 RAFIKLYXGGDBRD-AWEZNQCLSA-N 273.376 3.521 30 20 CHED c1ccc(N/C(=N\Cc2ccco2)N2CCCCC2)cc1 82008365 LPVKFTFPURMEKI-UHFFFAOYSA-N 283.375 3.734 30 20 CHED N#CCc1ccc(NCc2ccc3ncccc3c2)cc1 48330219 DUJQLDDIQFUUQN-UHFFFAOYSA-N 273.339 3.913 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(F)cc2F)no1 426441984 IARJCIDOAAAYGV-UHFFFAOYSA-N 278.302 3.792 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCc3c(C)cccc32)n1 161206608 NLEHMLURWJMLED-INIZCTEOSA-N 263.344 3.670 30 20 CHED C[C@H](S[C@@H](C)c1cccc(C#N)c1)C(=O)NC(C)(C)C 190908701 JRRFMMXDUJUZGA-RYUDHWBXSA-N 290.432 3.656 30 20 CHED C=CCNc1ccc(OC(F)(F)F)c(Br)c1 229579450 HZORIBVIYPSASF-UHFFFAOYSA-N 296.086 3.946 30 20 CHED C[C@H](c1cc(Cl)ccc1Cl)N(C)CCC#N 194984915 JGPWSYNRZXBTRH-SECBINFHSA-N 257.164 3.900 30 20 CHED N#Cc1ccc(NCCc2ccccc2C(F)(F)F)cn1 426475725 MVIAHENARJCMQN-UHFFFAOYSA-N 291.276 3.627 30 20 CHED N=C(O)[C@@H]1CCC[C@@H](/C(O)=N/CC2(C3CC3)CCC2)C1 329896450 KYMSDAFWVFMZEX-VXGBXAGGSA-N 278.396 3.865 30 20 CHED Cc1ccc(-n2cc(N[C@H]3CCC[C@H](C#N)C3)cn2)c(C)c1 193336782 OKTIDFWJWXNFNL-HOTGVXAUSA-N 294.402 3.983 30 20 CHED CC(C)(C#N)CCOc1ccc([N+](=O)[O-])cc1Cl 87596108 YKSDNQUJATWGBX-UHFFFAOYSA-N 268.700 3.567 30 20 CHED C[C@@H](Nc1cccc2c1OCO2)/C(O)=N/C1CCCCC1 329360092 CALGZRGNWFCGAC-LLVKDONJSA-N 290.363 3.505 30 20 CHED N#CC1(C(=O)N[C@H]2CCc3c(Cl)cccc32)CCCC1 49318495 RAHAXQPKWWXITR-AWEZNQCLSA-N 288.778 3.527 30 20 CHED CC(=O)Nc1ccc(C)cc1NCC#Cc1ccc(F)cc1 135566482 XPLPEEHOHLWYNR-UHFFFAOYSA-N 296.345 3.556 30 20 CHED CCCNc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 193360867 MWQQFQXLEIHPIO-WBVHZDCISA-N 271.408 3.680 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H](c2ccccc2)[C@@H]2CCCO2)C1 192772300 JANFNAXRCOYAKZ-RANZSIQMSA-N 284.403 3.579 30 20 CHED C=CCSCCNC(=O)Nc1cccc(Cl)c1C 194595846 YGWYWWCIVFZEEB-UHFFFAOYSA-N 284.812 3.689 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](OCC)c1ccccc1 194199645 LFBBLIUENHMJEK-KRWDZBQOSA-N 287.403 3.649 30 20 CHED CCN(C(=O)c1cc(C#N)oc1C)c1ccccc1Cl 336425024 HZPVKTKBSCUUOJ-UHFFFAOYSA-N 288.734 3.780 30 20 CHED CN(CC#N)Cc1cccc2c(Br)cccc12 429055449 MYLYPZAIJBAJDR-UHFFFAOYSA-N 289.176 3.558 30 20 CHED CC(=O)c1cc(C(=O)Nc2cccc(C#N)c2C)ccc1C 194375256 GLEHSMHKFDFSFL-UHFFFAOYSA-N 292.338 3.630 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1cc2ccc(C)cc2o1 426059025 NLPWNVUEBBTEHZ-KGLIPLIRSA-N 273.376 3.576 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1cnc(C)s1 90409215 HGHCMLWWAUZXJS-GFCCVEGCSA-N 288.416 3.867 30 20 CHED C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@H](C)C1 92762356 KEYSVDWVYGJWPQ-HZPDHXFCSA-N 286.419 3.990 30 20 CHED Cc1csc(NC(=O)[C@@H](C)c2ccsc2)c1C#N 335142127 PLOUEXGPYROKRE-VIFPVBQESA-N 276.386 3.732 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1nc(C)c(C)o1 421196130 IXSNVIMAZMVJRH-UHFFFAOYSA-N 276.723 3.704 30 20 CHED N#CCN(C(=O)c1ccc2c(c1)CCC=C2)c1ccccc1 514812454 MVTYODVOUYMTPR-UHFFFAOYSA-N 288.350 3.816 30 20 CHED C=CC[C@@H](C(=O)N1CCC(CCC#N)CC1)c1ccccc1 515485768 JIMBCHBYGIMUDP-GOSISDBHSA-N 296.414 3.889 30 20 CHED N#Cc1ccc(F)c(CN[C@@H](Cc2ccccc2)C2CC2)c1 90117271 AMMJRSCGVPLMLP-IBGZPJMESA-N 294.373 3.808 30 20 CHED CCCN(CC1CCCCC1)C(=O)c1cc(C#N)oc1C 331217821 GQORWDGMRZBYIJ-UHFFFAOYSA-N 288.391 3.892 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1Oc1ccncc1 510753313 RBDOVUNTXKGPHY-AWEZNQCLSA-N 296.370 3.958 30 20 CHED CCc1nc(/C(O)=N/C(C)(C)c2nc(C)c(C)s2)co1 330833974 KULREIOTYLGWHF-UHFFFAOYSA-N 293.392 3.550 30 20 CHED CN(CC(C)(C)C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 337764435 LUFBHFMRIRBHAF-UHFFFAOYSA-N 299.418 3.621 30 20 CHED Cc1cc(C)cc(CCNCc2cccc(C#N)c2)c1 237833888 GBFBLTKCASLQSC-UHFFFAOYSA-N 264.372 3.507 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)c2scnc2C(C)(C)C)o1 330704524 JWVCEGNKEYFWFE-VIFPVBQESA-N 293.392 3.803 30 20 CHED N#CCCCOc1cccc(NC2Cc3ccccc3C2)c1 237826730 LDTXCURIVHHBPS-UHFFFAOYSA-N 292.382 3.948 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1nc(C(F)(F)F)cs1 430730703 SHOUGINITGHQEF-MRVPVSSYSA-N 289.326 3.506 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(c3ccsc3)CC2)C1 334342529 PYNRMERUEYJJEJ-DOMZBBRYSA-N 260.406 3.620 30 20 CHED Cc1ccnc(N[C@H]2C[C@H](c3ccccc3F)C2)c1C#N 435591845 HXEPTHYWANXAKS-JOCQHMNTSA-N 281.334 3.759 30 20 CHED N#C[C@H]1CC[C@@H](NC2CC(c3ccccc3Cl)C2)C1 335549274 JFYGHHLUAQNWAB-RJZJGCCBSA-N 274.795 3.868 30 20 CHED C=CCc1cc(-c2nc3ccccc3n2C)cc(OC)c1O 436936025 MDEMLAWYAGNBSO-UHFFFAOYSA-N 294.354 3.683 30 20 CHED Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3ccccc3)C2)n1 431493979 DWJCEJOGLQEQFM-QGZVFWFLSA-N 291.398 3.954 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@H](O)c2ccc3ccccc3c2)C1 248757427 CWDFJMBUSKUYLE-ZMYBRWDISA-N 294.398 3.545 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNc2ncc(C#N)cc2Cl)o1 524165939 GUMKLPBRNKHXRL-SKDRFNHKSA-N 287.750 3.935 30 20 CHED C[C@H](Nc1ccc(C#N)cc1F)c1ccc2n[nH]cc2c1 343926668 ZEGKDLIWNJTWRC-JTQLQIEISA-N 280.306 3.747 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 245382047 GTNVCPMXHTVWLG-CAOSSQGBSA-N 261.409 3.770 30 20 CHED Cc1ccc(C#N)c(N2CC3(CCC3)c3ccccc32)n1 343205867 MITHOPVEFMBURE-UHFFFAOYSA-N 275.355 3.835 30 20 CHED C=CCSCc1cc(Cl)c2c(c1)OCCO2 349089826 SJUNFYDURHVOIJ-UHFFFAOYSA-N 256.754 3.530 30 20 CHED C[C@H]1c2ccccc2OCCN1c1cccc(F)c1C#N 608778944 QPCJDDJLSYDSSM-LBPRGKRZSA-N 282.318 3.657 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1cc(C#N)cs1)C2=O 255572228 INTFBDJNRULSKP-JYRVWZFOSA-N 295.363 3.841 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cc(F)cc(F)c1F 348136027 NZGHREGOZHQQLU-UHFFFAOYSA-N 290.244 3.536 30 20 CHED COc1ccc2c(c1)CC/C(=C/c1c(C)noc1C)C2=O 255722893 AKFGYXIFMKKIEC-LCYFTJDESA-N 283.327 3.513 30 20 CHED O=C(/C=C\c1cncs1)c1ccc(F)c(Cl)c1 255494131 KRROKRRLYKHWIW-RQOWECAXSA-N 267.712 3.832 30 20 CHED C[C@@H](CCC#N)CN1CCC(Oc2cccc(F)c2)CC1 602721807 WIXRALUZGWUZOZ-AWEZNQCLSA-N 290.382 3.609 30 20 CHED C=CCC(C)(C)c1noc(CSCc2ccncc2)n1 340822565 OIWGNPWLSNYUGH-UHFFFAOYSA-N 289.404 3.752 30 20 CHED C=CCCCCCN(C)C(=O)CCC(=O)c1ccccc1 606881650 XFSBZCZLMOVAIV-UHFFFAOYSA-N 287.403 3.854 30 20 CHED C[C@@H](CCC(C)(C)C)N=c1ccc(Cl)c(C#N)[nH]1 522905491 CADLRMRVRHAOFK-JTQLQIEISA-N 265.788 3.655 30 20 CHED Cc1cccc(/C=C\C(=O)c2cc(O)cc(O)c2)c1C 255300853 HYYDOOYECDAULU-SREVYHEPSA-N 268.312 3.611 30 20 CHED CCOc1ccc(N=Cc2ccccc2O)cc1OC 255336000 HZXFMKAHSBUUCN-UHFFFAOYSA-N 271.316 3.550 30 20 CHED N#CC1(CSCc2ccn(C3CCCC3)n2)CC1 344491041 XYPOJRLXLQQPKJ-UHFFFAOYSA-N 261.394 3.535 30 20 CHED COCCC1CCN(CCC2(C#N)CCCCC2)CC1 528584741 XCMGFTHVMOJHAV-UHFFFAOYSA-N 278.440 3.599 30 20 CHED N#Cc1ccccc1OCCN1Cc2cccc(Cl)c2C1 347442583 HNPMPZZSTWSZCB-UHFFFAOYSA-N 298.773 3.606 30 20 CHED CSc1cccc(F)c1CNC[C@H](C)CCC#N 602650518 NESUYRXGLWZXID-LLVKDONJSA-N 266.385 3.577 30 20 CHED C[C@H](CCC#N)CNCCc1csc(C(C)(C)C)n1 602579810 KNVXMNLOPBFLPI-GFCCVEGCSA-N 279.453 3.513 30 20 CHED Cc1ccc2sc(C(=O)N[C@H]3CCC[C@@H]3C#N)c(C)c2c1 446239083 XJYMCRCWTBAQNH-OCCSQVGLSA-N 298.411 3.940 30 20 CHED CC1(C#N)CCC(NCC[C@H]2C[C@H]3CC[C@H]2C3)CC1 449101798 GRBGRRAAMSBKMR-OLGJIQAVSA-N 260.425 3.875 30 20 CHED C=C(C)CN1CCn2c(cc3ccc(Cl)cc32)C1 447388873 YHDUZEZNRJTJJR-UHFFFAOYSA-N 260.768 3.686 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N[C@](C)(C#N)CC(C)C)C1(C)C 604540407 XZBOWTNPENVFSN-KEYYUXOJSA-N 276.424 3.669 30 20 CHED COc1cc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)ccc1C#N 440827257 PVVCVMBHQVWLGA-HLLBOEOZSA-N 284.403 3.625 30 20 CHED Cc1nc2c(NC(=O)[C@@]3(C#N)CC34CCCC4)cccc2o1 601619219 ARSAFZHXVWBQSW-KRWDZBQOSA-N 295.342 3.549 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC12CCCC2 354114524 IJHWUBQSJAKROP-HNNXBMFYSA-N 276.424 3.745 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CC#N 441064942 INKXQKCAJJOGAW-BEFAXECRSA-N 276.383 3.589 30 20 CHED Cc1ccsc1-c1noc(-c2cc(C#N)oc2C)n1 350468161 VCQIIMJJQQVROK-UHFFFAOYSA-N 271.301 3.547 30 20 CHED C=C(C)CN(C)C(=O)C[C@@H](c1cccs1)n1cccc1 355717350 VQWNIFTXCRKYKG-AWEZNQCLSA-N 288.416 3.564 30 20 CHED C=CC1CCN(Cc2ccc(OC(C)C)c(OC)c2)CC1 536672812 PEYLOJTZDQZIKN-UHFFFAOYSA-N 289.419 3.880 30 20 CHED N#CCCCN1CC2(CCCC2)c2c(F)cccc21 355223783 WZWQYNFGOYXIAA-UHFFFAOYSA-N 258.340 3.761 30 20 CHED C=C(C)CN(C)Cc1cnc(CCc2ccccc2)s1 449224709 IOUXARJZHNYMAZ-UHFFFAOYSA-N 286.444 3.936 30 20 CHED CS[C@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 264555987 PUQUUDNSFJAQAJ-WDEREUQCSA-N 294.445 3.628 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C(=O)CC)cc1 539435615 GXCYPYRSDITIBA-ZDUSSCGKSA-N 273.376 3.754 30 20 CHED CC(C)(C#N)c1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1 614171190 FJPIUSZCVYRTCK-HOTGVXAUSA-N 268.404 3.720 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CCCC(C)(C)C 355648743 DVWLSQCIEFAHAI-UHFFFAOYSA-N 273.380 3.755 30 20 CHED C=CCOCCCOc1cccc2nc(C)ccc12 358556804 BSWYFRHURDONIG-UHFFFAOYSA-N 257.333 3.515 30 20 CHED CC(C)(CCC#N)CNc1cnc2c(c1)CCCC2 359945067 CJRRSQFLUKMOBJ-UHFFFAOYSA-N 257.381 3.702 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCc2c(F)cccc21 442900476 PTIMCIPNGZUEGO-GFCCVEGCSA-N 266.319 3.821 30 20 CHED N#Cc1ccc(-c2nc(-c3c[nH]c4ccccc34)no2)cc1 445451688 IXSVMGUUIWAVRC-UHFFFAOYSA-N 286.294 3.757 30 20 CHED CC(C)(C)OCc1cccc(CNc2ncccc2C#N)c1 263693609 HNSHRDGHQHZGSJ-UHFFFAOYSA-N 295.386 3.880 30 20 CHED CCN(C(=O)[C@H](C)c1ccco1)[C@@H](C)c1ccc(C#N)cc1 610171374 PMPXHGDOQDWFSJ-KGLIPLIRSA-N 296.370 3.864 30 20 CHED C=CCN(CCc1ccco1)CC1(SC)CCC1 356407492 GZZVSERQMJOSJE-UHFFFAOYSA-N 265.422 3.596 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(Cl)c(C#N)n1 610280389 ODVRTBGPVWFOBN-GOEBONIOSA-N 283.762 3.749 30 20 CHED CC1(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)CCCCC1 618848304 ULDITHMWBSRHRU-INIZCTEOSA-N 297.402 3.568 30 20 CHED CC(C)Oc1ccccc1[C@H](C)NCCCCC#N 537022766 YGPJDQSTZKTTSB-AWEZNQCLSA-N 260.381 3.818 30 20 CHED C=CCN(C(=O)c1cccc2ccsc12)[C@H](C)COC 617582905 XWTSMSMHDYLMRI-GFCCVEGCSA-N 289.400 3.564 30 20 CHED C=CCCNC(=O)C(C)(C)CCCc1ccccc1 617615380 JYMFXBSETWMGCT-UHFFFAOYSA-N 259.393 3.728 30 20 CHED C=CCC1(CNC(=O)[C@H](C)c2cccc(C#N)c2)CCCC1 456508657 PGFXMZFHQBIKRI-OAHLLOKOSA-N 296.414 3.914 30 20 CHED C=CCOc1ccc(CN2CCO[C@H](C)[C@@H]2C)cc1Cl 538726141 YROVLCZATZNSOJ-QWHCGFSZSA-N 295.810 3.514 30 20 CHED C=CC[C@@H](C(=O)NCCCOC(C)(C)C)c1ccccc1 618334321 KARGQBBZRKRTIR-MRXNPFEDSA-N 289.419 3.668 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1c1cc(C)ccc1C 450127828 MYQVEHJLXGYDGM-NXHRZFHOSA-N 299.414 3.558 30 20 CHED C=C(CC)CNC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 459083482 SRWRKPXNZOGFJC-OLZOCXBDSA-N 252.402 3.561 30 20 CHED C=CCN[C@H](C)c1ccc(OCCC(C)C)c(OC)c1 537077345 OFEHPHNJKHZYAZ-CQSZACIVSA-N 277.408 3.957 30 20 CHED C=CCCNC(=O)C1(c2cccc(Cl)c2)CCCC1 617614829 PEJFYUGFHSCKGY-UHFFFAOYSA-N 277.795 3.844 30 20 CHED C=CCC1(C(=O)Nc2cc(F)cc(F)c2OC)CCC1 362535067 SJGVBIZZWWKNTR-UHFFFAOYSA-N 281.302 3.658 30 20 CHED C=CCC1(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)CCCCC1 450555806 NJHBCXWWCKFEHG-JKSUJKDBSA-N 293.451 3.834 30 20 CHED C=CCN1CC=C(c2cccc(Br)c2)CC1 545878349 HVRPKEAWLXHRKP-UHFFFAOYSA-N 278.193 3.724 30 20 CHED C[C@H](c1ccc(F)cc1)[S@@](=O)CCC(C)(C)C#N 547484709 SRVLTMDOZILSGO-ZMZPIMSZSA-N 267.369 3.575 30 20 CHED CCN(CCC#N)Cc1cc2c(C)cc(C)cc2[nH]1 360822358 QEBJQCNIEQEHDS-UHFFFAOYSA-N 255.365 3.520 30 20 CHED N#CCC1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 542878191 DYLWTNUWKNPUHK-QGZVFWFLSA-N 272.367 3.829 30 20 CHED CC(C)CC1(C(=O)Nc2cccc(CC#N)c2)CCC1 456748000 JRCQFFQDNNBSGP-UHFFFAOYSA-N 270.376 3.908 30 20 CHED N#Cc1ccc(C(F)(F)F)c(NCCOC2CCCC2)c1 547789603 DTWXBDOBZRVAQC-UHFFFAOYSA-N 298.308 3.948 30 20 CHED CC(C)(C#N)CCCNc1cnn(-c2ccccc2)c1 279558990 XIZLMKCAYGUUHG-UHFFFAOYSA-N 268.364 3.614 30 20 CHED CO[C@@H](CN1CCC(CC#N)CC1)c1ccc(Cl)cc1 549133731 LHMUBRVNXCPLFY-INIZCTEOSA-N 292.810 3.653 30 20 CHED C=CCC[C@H](NCCc1cccnc1)c1ccco1 279141869 ZGWOPRYEARFLQD-HNNXBMFYSA-N 256.349 3.514 30 20 CHED CSC1(CN[C@H]2CCCCc3cc(C#N)ccc32)CC1 360885462 SEHVEYAWAAGEJL-INIZCTEOSA-N 286.444 3.811 30 20 CHED C[C@H]1C[C@H](C)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 271992171 LZOUGWRHDCESJH-KGLIPLIRSA-N 282.387 3.502 30 20 CHED CC#CCCNC(=O)Nc1cccc(OC2CCCC2)c1 542657311 XPSGOEFRGXKJIB-UHFFFAOYSA-N 286.375 3.543 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccc(OC)cc2)CCC1 276640793 XFZVWXOSUMBRNS-CYBMUJFWSA-N 273.376 3.619 30 20 CHED Cc1cccc2c1CN(c1snc(Cl)c1C#N)CC2 277279269 YRMZFYIHLMJSST-UHFFFAOYSA-N 289.791 3.539 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)C[C@@H]1C 460788569 CLBHEXVMXFIDGD-CABCVRRESA-N 296.418 3.756 30 20 CHED CC(C)(C)C[C@H](NC(=O)NCCCC#N)c1ccccc1 273457455 DGRXHKNOQVYTNK-HNNXBMFYSA-N 287.407 3.767 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(OC)c1C 626748578 NUKOGBDMEYIMLS-CYBMUJFWSA-N 274.364 3.576 30 20 CHED C=CCCOCC(=O)N(CC)c1cccc2ccccc12 620328881 ISBIWVACJGHPHW-UHFFFAOYSA-N 283.371 3.785 30 20 CHED Cc1ccccc1NC(=O)CSCCC(C)(C)C#N 289351659 GWNACCBJEHVCPG-UHFFFAOYSA-N 276.405 3.607 30 20 CHED N#CC1(C(=O)OCc2cnc3c(F)cccc3c2)CCCC1 286887739 ISDZJVBVGWJTBM-UHFFFAOYSA-N 298.317 3.501 30 20 CHED C=CCCCCCCNC(=O)N(CC)Cc1ccncc1 288135975 XWCDHTBFKWGYLP-UHFFFAOYSA-N 289.423 3.750 30 20 CHED CC(C)(CNc1ccc(F)cc1C#N)Oc1ccccc1 462844914 YCLNIEBAYMYFPJ-UHFFFAOYSA-N 284.334 3.967 30 20 CHED CC(/C=C\c1ccc(C#N)cn1)=C\c1cccc([N+](=O)[O-])c1 468944058 KKXMKMAOUVMCRC-YNKPAJJNSA-N 291.310 3.978 30 20 CHED CCCCS[C@@H](C)C(=O)N[C@@](C)(C#N)C1CCCCC1 555905137 VXEQVLNDJPRWAG-BBRMVZONSA-N 296.480 3.887 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H](CC(C)C)C2)cc1 465301444 QPJLNRZGPXMKGV-OAHLLOKOSA-N 287.403 3.760 30 20 CHED C=C(C)CCc1noc(-c2nc(C(C)C)ncc2Cl)n1 285268759 YNBCPKQDHILJAX-UHFFFAOYSA-N 292.770 3.812 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1ccccc1-n1ccnn1 552277390 SRRCSPAOAYSLGK-LSDHHAIUSA-N 284.407 3.663 30 20 CHED N#Cc1cccc(C2(NCCCc3cccc(F)c3)CC2)c1 551713724 JTYHJDMWHIOEPR-UHFFFAOYSA-N 294.373 3.909 30 20 CHED C#CCCCC(=O)N(CC)c1ccc(Cl)cc1F 281866464 PQWQEJGIUXDLHA-UHFFFAOYSA-N 267.731 3.636 30 20 CHED C=C[C@](C)(CCOC)c1nc([C@H]2CCCCS2)no1 289566788 FQRSUPWOCWTIRE-BXUZGUMPSA-N 282.409 3.508 30 20 CHED CC(C)(C#N)CCNc1ccccc1[C@H](O)C(F)(F)F 288740945 PCLFXWYSHWHLPC-LBPRGKRZSA-N 286.297 3.634 30 20 CHED C#C[C@@H](CC)NC(=O)c1sccc1-c1ccccc1 700610643 UIASTJUJVHEXAH-ZDUSSCGKSA-N 269.369 3.557 30 20 CHED C=C(CC)CN[C@H](C)c1ccc(-n2cccn2)c(F)c1 559310724 CBODWEAZHVHINS-CYBMUJFWSA-N 273.355 3.628 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N([C@H]3CC[C@@H](C#N)C3)C2)cc1 293951021 BTDDDMRJEDGFDQ-IDCNUPLLSA-N 268.404 3.865 30 20 CHED C=C(CNC(=O)N1CCCCCCC1)c1ccccc1 807580393 UJYJOGHVUZDJLG-UHFFFAOYSA-N 272.392 3.676 30 20 CHED C=CCCCCCCNC(=O)/C=C/c1ccccc1C#N 805221202 MLZGKRIPYBVZGR-OUKQBFOZSA-N 282.387 3.824 30 20 CHED C[C@@H](NC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 474136773 YTOBTIKESXMDCY-CZUORRHYSA-N 299.418 3.839 30 20 CHED Cc1c(C#N)c(NCCCCC#N)nc2ccccc12 297316193 ZISYCXBBZPQARG-UHFFFAOYSA-N 264.332 3.521 30 20 CHED Fc1ccc(C#CCNc2ccc([C@@H]3CCOC3)cc2)cc1 297598767 HYSOIICVQBFIRR-QGZVFWFLSA-N 295.357 3.793 30 20 CHED COc1cc(Cl)ccc1CSc1ccc(C#N)cn1 475967314 BWKRMBIEEZBGNJ-UHFFFAOYSA-N 290.775 3.908 30 20 CHED CC#CCCCC(=O)N1C[C@@H](C(C)C)c2ccccc21 470379188 JTDFEAKRWFPFNV-INIZCTEOSA-N 269.388 3.966 30 20 CHED C#CCCCc1nc(-c2ccc3sccc3c2)no1 809403774 KNKWRLYXNRDHRU-UHFFFAOYSA-N 268.341 3.907 30 20 CHED C#CCN(CC1=Cc2ccccc2OC1)Cc1ccccc1 809716530 PNWVKIOYSYPJCC-UHFFFAOYSA-N 289.378 3.598 30 20 CHED C=CCC[C@@H](NC[C@H]1CCCN(C(C)C)C1)c1ccco1 567258012 DPDSAOPRBYXCLK-IAGOWNOFSA-N 290.451 3.997 30 20 CHED N#CCCN[C@@H](CCc1ccccc1)c1ccccc1 299732724 XXGUQWBTEODHBZ-SFHVURJKSA-N 264.372 3.864 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(C)c(OC)c1C 298244643 KLZPFRAQKXIQAH-UHFFFAOYSA-N 261.365 3.853 30 20 CHED C#C[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C)C(C)(C)C 808316259 RPKJOHQNMUVXMD-PVAVHDDUSA-N 298.430 3.622 30 20 CHED CC(F)(F)c1ccc(-c2noc(CCCC#N)n2)cc1 291132992 WPLXWAZVIKRMBR-UHFFFAOYSA-N 277.274 3.695 30 20 CHED C#Cc1ccc(CN[C@@H](COC)c2ccc(Cl)cc2)cc1 809656520 XSRUHXOXAKCFDE-SFHVURJKSA-N 299.801 3.799 30 20 CHED CCOc1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1 806579920 WDRLPYQVGXFDJF-FMIVXFBMSA-N 299.757 3.956 30 20 CHED C=CCC[C@@H](NC(=O)C[C@H](C)n1ccnc1)c1ccccc1 563217580 NTODRFIFULRNRD-DOTOQJQBSA-N 297.402 3.658 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccncc1Cl 472430759 JIMADKOQUSIZGH-UHFFFAOYSA-N 286.806 3.966 30 20 CHED N#CCn1c(/C=C/c2cccnc2Cl)nc2ccccc21 806563059 RYFUJDKTUJBSLX-BQYQJAHWSA-N 294.745 3.779 30 20 CHED N#CC1(C(=O)NC2CCc3ccccc3CC2)CCCCC1 567850993 UXQZLBTXPUDOIF-UHFFFAOYSA-N 296.414 3.524 30 20 CHED CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H](C)C#N 563994060 ORRMQMQATWCQRF-MLGOLLRUSA-N 292.810 3.573 30 20 CHED C[C@H](COc1ccccc1)N[C@@H]1CCc2ccc(C#N)cc21 810213958 KFZZAKABJNMTKF-AUUYWEPGSA-N 292.382 3.603 30 20 CHED Clc1cccc(CNN=Cc2ccc3[nH]ccc3c2)c1 811644189 RUXMVGYRESUALS-UHFFFAOYSA-N 283.762 3.945 30 20 CHED Cc1cccc([C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C)c1 488871382 PZNXLXIHEAGVSD-MRXNPFEDSA-N 295.386 3.712 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(Cl)c1)C2 811692568 BXRPLWGADKOGAI-WLRTZDKTSA-N 295.725 3.740 30 20 CHED C=CCCn1cc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)nn1 653675852 VNEOLDFNHOLHAF-LSDHHAIUSA-N 290.455 3.501 30 20 CHED C1CCC([C@H]2CCCCC2=NN[C@@H]2CCCOC2)CC1 814909113 WSPSKSJCIZZDSY-HZPDHXFCSA-N 278.440 3.882 30 20 CHED C#CCOc1ccccc1NC(=O)N(C)[C@@H](C)CCCC 810209298 BZIRKZNJEVXWKZ-AWEZNQCLSA-N 288.391 3.741 30 20 CHED C=C(CC)CN[C@@H](COC)c1ccc(Cl)cc1 488801003 UGIMNHYJYXSCAA-AWEZNQCLSA-N 253.773 3.583 30 20 CHED CC(C)OC1CC(=NNc2c(F)cccc2Cl)C1 814905313 SMKDSZUQEUSPFE-UHFFFAOYSA-N 270.735 3.834 30 20 CHED C=CCCCCSCC(=O)Nc1ccc(C#N)cc1 573585539 JATFFHGKPTUMLP-UHFFFAOYSA-N 274.389 3.586 30 20 CHED C=CCC(C)(C)C(=O)NCC[C@H](OC)C(CC)CC 485385345 VQZQLCFZEBQEOY-AWEZNQCLSA-N 269.429 3.546 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1 814266036 VEWORNTWQVIZJD-UHFFFAOYSA-N 272.392 3.828 30 20 CHED C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(C#N)s1 487038916 MBBULPGXQFYDHD-NEPJUHHUSA-N 276.405 3.566 30 20 CHED CC(=NOC1CCCCC1)[C@H](C)NC(=O)OC(C)(C)C 811648580 NAUVRRIOEHCJNG-NSHDSACASA-N 284.400 3.625 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cccc(CO)c1 814923313 PAPSXXXAHKUYIT-UHFFFAOYSA-N 282.387 3.886 30 20 CHED CC[C@@H](CC#N)NCc1cc(Br)ccc1C 578024281 SVKQSLYRDARQHF-ZDUSSCGKSA-N 281.197 3.539 30 20 CHED C#Cc1cccc(N(C)C(=S)Nc2ccc(C)c(F)c2)c1 728447786 SREFIRBXZOLPBG-UHFFFAOYSA-N 298.386 3.949 30 20 CHED C=CCCCS(=O)(=O)N1CCCC[C@H]1c1ccccc1 489633623 ABZDBGZXOQLSPX-INIZCTEOSA-N 293.432 3.510 30 20 CHED CCC(=NNc1cc(F)c(F)cc1F)c1ccco1 814849616 CYZLTCMJQINFFO-UHFFFAOYSA-N 268.238 3.923 30 20 CHED C=C(C)CCNC(=O)N[C@@H](C)c1ccccc1OC(C)C 652109614 PJQJVIVEYOKDLV-AWEZNQCLSA-N 290.407 3.800 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCCc1c(F)cccc1F 653766490 DUOHBJPYUPPVDV-ZDUSSCGKSA-N 293.357 3.855 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 488570900 WCTWSMIUQNQMGT-INIZCTEOSA-N 290.382 3.932 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(Cl)cc1SC 824296101 WBYIBUCASGNKAG-SECBINFHSA-N 282.796 3.547 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2ccccc2nc1C 490089461 RCDLLTDPGYUWAS-UHFFFAOYSA-N 282.387 3.875 30 20 CHED C#CCN(C(=S)Nc1ccc(Cl)c(Cl)c1)C1CC1 491307104 PEBXKALOEYPRIB-UHFFFAOYSA-N 299.226 3.788 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(C)c(C)c1O 728155499 OHKYPXGZOCESOH-UHFFFAOYSA-N 299.330 3.753 30 20 CHED CC1(Cc2noc(-c3cccc(C#N)c3)n2)CCCC1 574120557 UMPWZGDYLJMEBW-UHFFFAOYSA-N 267.332 3.731 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1ccc(OCOCC)cc1 820486222 IBUVMSDRIUPTOV-UHFFFAOYSA-N 292.375 3.705 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(F)c1F 491356639 PMNFSUJDOFTJBW-UHFFFAOYSA-N 277.314 3.789 30 20 CHED C=CCC1(c2nc([C@H](CC)OCC)no2)CCC1 665042035 KJAAXPVQFFJPJK-NSHDSACASA-N 250.342 3.555 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CCc3c(C)cccc32)c1 729552502 GGEZZDSBJSNJJC-GOSISDBHSA-N 290.366 3.785 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H](CC)C1CC1 661870768 LMRWIUHXCRDJNQ-AWEZNQCLSA-N 252.402 3.563 30 20 CHED C=CCNC(=O)[C@H](C)SCc1ccc(CC(C)C)cc1 725842842 WIPIJMHHMHFDMM-AWEZNQCLSA-N 291.460 3.809 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)CCCC(C)(C)C 729026325 NXUODYWNFXTBBW-CQSZACIVSA-N 297.439 3.559 30 20 CHED C=C[C@@](C)(O)c1cc(-c2ccccc2OC(C)C)no1 901398158 KOBDKYBLAZSSHF-MRXNPFEDSA-N 273.332 3.522 30 20 CHED CC[C@H](N[C@H]1CC[C@@H](SC)C1)c1cccc(C#N)c1 902821368 IVQIVIIHNPYZGO-XHSDSOJGSA-N 274.433 3.883 30 20 CHED CC(C)Oc1cccc([C@@H](NCC2(C#N)CC2)C(F)F)c1 903106805 VTETYIMQUDNBPA-CQSZACIVSA-N 294.345 3.673 30 20 CHED COc1cccc(/C=N\[C@@H]2CCc3ccc(C)cc32)c1O 730147030 JWIWDYXJAFEGRX-VXIUPONVSA-N 281.355 3.816 30 20 CHED Cc1ccc([C@H](C)N(C)c2ccc([N+](=O)[O-])cc2C#N)cc1 733187207 LUCDEDDLQBQHNS-ZDUSSCGKSA-N 295.342 3.972 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1F 731490517 ZATFIILPOOWDGP-XQRVVYSFSA-N 282.314 3.965 30 20 CHED CCCCCCCCCN(C)C(=O)NC1CCC1 730583378 LDAZSOHRXNDNIJ-UHFFFAOYSA-N 254.418 3.931 30 20 CHED CC1(C)CCC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 589340601 KRCYOLQRXDKEQJ-HZPDHXFCSA-N 254.377 3.714 30 20 CHED CNc1ccccc1CN[C@@H](CCC#N)c1ccccc1 902405878 PZYCVMJMWRFCEE-SFHVURJKSA-N 279.387 3.863 30 20 CHED CN(C(=O)c1cccc(SCC#N)c1)C1(C)CCCC1 490628364 KRMUXTYQSJDPJF-UHFFFAOYSA-N 288.416 3.707 30 20 CHED CC[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839434214 ATTSTZIVIQDSAP-LLVKDONJSA-N 252.317 3.696 30 20 CHED C#CCC[C@@H](C)OC(=O)Cc1scnc1-c1ccccc1 839041242 UNMYYXYYEXXDON-CYBMUJFWSA-N 299.395 3.698 30 20 CHED Cc1csc(NC(=O)[C@@H](C)C2CCCC2)c1C#N 589034502 JACCGRGXWIKZBJ-JTQLQIEISA-N 262.378 3.693 30 20 CHED C=CC[C@H](C)NC(=O)/C=C(/C)c1ccccc1Cl 735065542 DZPOTAMLJZWQLE-WEHUKYGOSA-N 263.768 3.824 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)CCCCCC#N)n1 588651581 XXBPOORVVUFMRH-MRXNPFEDSA-N 285.391 3.528 30 20 CHED C=CCCC1(c2nc(-c3ccc(OCC)nc3)no2)CC1 581036653 CBXNDGGIBRURLW-UHFFFAOYSA-N 285.347 3.528 30 20 CHED C[C@@H](NC(=O)C#CC(C)(C)C)c1nc2ccccc2s1 837418341 GYRDFANBTGEMSR-LLVKDONJSA-N 286.400 3.523 30 20 CHED C=CCCCCCN(C)C[C@H](O)c1ccccc1F 739929592 FIEGFOYYGXOCGA-INIZCTEOSA-N 265.372 3.537 30 20 CHED C=CCCCOC(=O)c1[nH]c(C)c(C(C)=O)c1CCC 735530371 INZIGVFJWMUCHR-UHFFFAOYSA-N 277.364 3.601 30 20 CHED C=C(C)C(C)(C)c1nc(COc2ccc(Cl)nc2)no1 906126445 RPJRFZPWIVTPOD-UHFFFAOYSA-N 293.754 3.551 30 20 CHED CN(Cc1ccc(Br)cc1F)CC(C)(C)C#N 581385726 MZZVHURWUFDPFA-UHFFFAOYSA-N 299.187 3.570 30 20 CHED Cc1ccc(C(=O)N2CCCCCCCC2)cc1C#N 836921417 HBIIYPWTEHFHAS-UHFFFAOYSA-N 270.376 3.663 30 20 CHED CC[C@H](OC1CCCCC1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839058823 YCTMFNHWFUBILY-KBMXLJTQSA-N 293.407 3.740 30 20 CHED CCCN(CC)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 589354849 RYNCDZRHBIIWQH-HNAYVOBHSA-N 299.462 3.646 30 20 CHED CC(C)CC[C@H]1CCC(=NNc2cnnc(O)c2Cl)C1 834937014 GVTWODFGQRULGR-JTQLQIEISA-N 296.802 3.840 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccc(O)c([N+](=O)[O-])c2)c1C 734305613 XRWOVVUROWMQSK-VURMDHGXSA-N 297.310 3.813 30 20 CHED CSc1ccc(C(C)=NNc2ccccn2)cc1 916276081 JWZZGYGWYUSOIT-UHFFFAOYSA-N 257.362 3.640 30 20 CHED C=CCC1(CNC(=O)[C@H](C)c2ccc(C)o2)CCCC1 836990440 GGIOIIVTGFAJCS-CQSZACIVSA-N 275.392 3.944 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(F)cc3cccnc23)C1 839053549 JIVPBQVOBZUHTL-FZMZJTMJSA-N 298.317 3.613 30 20 CHED CCC[C@H](C(=O)N[C@H](C#N)CC)c1ccc(Cl)cc1 597040662 XHZLBZXBMIIVHI-KBPBESRZSA-N 278.783 3.642 30 20 CHED CC[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)[C@H]1CC1(C)C 594048889 LVSLMZCZKNFQLY-XYPHTWIQSA-N 298.430 3.678 30 20 CHED C[C@H](N[C@H]1CCN(C2CCCCC2)C1)c1cccc(C#N)c1 595080779 NYVVTSLIMVCUJT-YJBOKZPZSA-N 297.446 3.616 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2nsc3ccccc23)C1 912389092 OSFLMLUNPWILSI-LBPRGKRZSA-N 286.400 3.725 30 20 CHED C=CCNC(=S)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 747667408 JSALDPDQWRRWFF-NWDGAFQWSA-N 296.867 3.824 30 20 CHED CC(C)CCOc1ccccc1NC(=O)c1ccc(C#N)[nH]1 594382803 OHKBWUXPVDGXTO-UHFFFAOYSA-N 297.358 3.564 30 20 CHED CC(C)c1ccc([C@@H](C)NN=Cc2ccc(O)c(O)c2)cc1 917551578 LGWQROKEBSEBES-CYBMUJFWSA-N 298.386 3.906 30 20 CHED CC[C@H]1CCCC[C@@H]1C=NNc1ccc(CC(=O)O)cc1 848414648 PYSHWMPTNYLYCY-LSDHHAIUSA-N 288.391 3.928 30 20 CHED C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)Cc2ccccc21 916993943 OAWAZROIAGSTNA-ZDUSSCGKSA-N 291.354 3.709 30 20 CHED C=CCCCC(=O)O[C@H](C(=O)c1ccccc1)C(C)C 748233921 LPHONBQYDIHCTC-KRWDZBQOSA-N 274.360 3.793 30 20 CHED CC(=NNc1ccccc1Cl)c1scnc1C 915110149 NIWMMLNVUGJMKQ-UHFFFAOYSA-N 265.769 3.941 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1 742435999 DBKSUZLKPNYKMK-YHYXMXQVSA-N 293.366 3.679 30 20 CHED C=CCCSCCNC(=O)C1(c2ccccc2)CCC1 597971518 UDANFBAFARPZHN-UHFFFAOYSA-N 289.444 3.534 30 20 CHED C[C@H]1CCN(c2nc(C#N)c(Cl)s2)C[C@H](C)C1 596173008 OKEAFXQRKFNHMU-DTWKUNHWSA-N 269.801 3.541 30 20 CHED CC(=NNc1ncccn1)c1ccc(CC(C)C)cc1 912974445 WMUKGSANZHVSBZ-UHFFFAOYSA-N 268.364 3.511 30 20 CHED CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)[C@@H]1CC1(C)C 841891767 UNVRJZQJHUIXHY-JQFCIGGWSA-N 286.419 3.892 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccc(-c3ncco3)cc2F)C1 591026561 VBXMNVZZFGERSR-KRWDZBQOSA-N 299.349 3.606 30 20 CHED Cc1cc(C)c(C=NNc2ccc(C(=O)O)cc2)cc1C 916240461 CSDAQYIHDLPWFW-UHFFFAOYSA-N 282.343 3.756 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccc(C#N)c(Cl)c1 840797234 SSLVOJSEUGIJMP-UHFFFAOYSA-N 293.823 3.710 30 20 CHED CC[C@@H](C/N=C/c1ccccc1O)CC(F)(F)F 840711384 QICUGPZKJNCBAW-IYPWXLATSA-N 259.271 3.790 30 20 CHED CCCCCC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl 746486961 YOIDAUAJGLXEJR-UHFFFAOYSA-N 295.726 3.639 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CSCCS1 918986600 QAGZKAIMBUBZPB-LBPRGKRZSA-N 276.467 3.739 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](OC2CCC2)C1 594026132 DHRRWUWPHSJEOM-KSSFIOAISA-N 284.403 3.653 30 20 CHED Fc1ccc(CON=C2CCC(F)(F)CC2)cc1 842530039 NNLCETICKPUJOU-UHFFFAOYSA-N 257.255 3.908 30 20 CHED Cc1ccc([C@H](C)N(C)C[C@@H](O)CC(C)(C)C#N)c(C)c1 598585590 GOPARNMDHKEEAZ-HOTGVXAUSA-N 288.435 3.597 30 20 CHED CC(C)(C)c1nc(C#N)c(NN=C/C=C\c2ccccc2)o1 746498401 NVYOGCPPZHYCMC-VNJAGFCQSA-N 294.358 3.955 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)C1CC2(CC2)C1 597294786 WMZVDJPIBYZVQV-UHFFFAOYSA-N 283.375 3.509 30 20 CHED CC[C@H](C#N)N(C)C(=O)/C=C(\C)c1ccccc1Cl 847169561 WPFCRRYURGFWSD-LMMOQWNQSA-N 276.767 3.504 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1cccnc1Cl)CC2 741849484 WACRPCLSZAVYTO-FMIVXFBMSA-N 299.757 3.956 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCn2c(Cl)ccc2[C@@H]1C 848088957 UIHDNLWXLWWNSP-NHYWBVRUSA-N 280.799 3.647 30 20 CHED Cc1cc(C=NNc2ccc(Cl)c(F)c2)c(C)[nH]1 747635877 RYGXHOZBPNRVGE-UHFFFAOYSA-N 265.719 3.870 30 20 CHED CCc1cccc(C)c1NN=Cc1cnc(C2CC2)nc1 841636220 IPDIYJVTTDJOCB-UHFFFAOYSA-N 280.375 3.671 30 20 CHED CC[C@H](C#N)Oc1cccc(CNC2CCCCC2)c1 742370923 AYUFYNCQCIJDBH-MRXNPFEDSA-N 272.392 3.790 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 590756976 QNJVLAOXJDRZMW-ZIAGYGMSSA-N 290.794 3.510 30 20 CHED CC[C@@H](N[C@@H](C#N)c1ccccc1)c1nc(C)cs1 595432584 SINUTRICGXFENU-KGLIPLIRSA-N 271.389 3.757 30 20 CHED CCC(=NNc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@H]1C 841602148 AGSINUKEVTYKER-PSASIEDQSA-N 271.286 3.934 30 20 CHED C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCC(C)(C)C#N 741753808 BXKKIEIKPDGCEA-BFYDXBDKSA-N 286.419 3.777 30 20 CHED O=C(/C=C/c1cc(F)ccc1F)c1ccc2c(c1)COC2 742436246 HVXBYGODYUBAFU-ZZXKWVIFSA-N 286.277 3.891 30 20 CHED N#CCc1cccc(C(=O)O[C@@H]2CCc3ccc(F)cc32)c1 747896615 OZXYPLFJVBAJOV-QGZVFWFLSA-N 295.313 3.736 30 20 CHED Cc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)c(C)c1 747061489 IFCXYCXLJQXUMS-UHFFFAOYSA-N 283.331 3.966 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@H](CCC)c1ccc(F)cc1F 845629737 XCISCPBFWRFVQB-QMTHXVAHSA-N 298.333 3.611 30 20 CHED C=C(C)CNC(=O)Nc1cc(C(C)(C)C)ccc1OC 681766125 MWPMGUGZNLXBNK-UHFFFAOYSA-N 276.380 3.690 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc(F)cc1)C2=O 921264385 SKRLOONYDAHNNV-ZROIWOOFSA-N 252.288 3.957 30 20 CHED C(=NN1CCOCC1)c1ccc(Sc2ccccc2)cc1 753921499 IDORKBPWPMQPHO-UHFFFAOYSA-N 298.411 3.504 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cn(C(C)C)nn1 926590660 DSARWDRMWRTHPK-RDJZCZTQSA-N 298.434 3.697 30 20 CHED CC[C@@H](C(=O)O[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 752574328 QNXSNJFDVWBHFF-JOYOIKCWSA-N 285.265 3.654 30 20 CHED CCCCCCCC(=O)NCc1nnc(C(C)(C)C)s1 758627524 QBRXYZLTXJTTHF-UHFFFAOYSA-N 297.468 3.812 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc2c(c1)CCC2)OCC 756477258 OLDCVQGZPAHTNO-KRWDZBQOSA-N 288.387 3.590 30 20 CHED CCCn1nccc1/C=C\C(=O)c1csc(C)c1 853008351 ORQGZASDJOXGQV-PLNGDYQASA-N 260.362 3.559 30 20 CHED CC(=NNc1cc(C)ccn1)c1c(Cl)nc2ccccn12 755907108 TWYJXISBIOWQQC-UHFFFAOYSA-N 299.765 3.527 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(N)cc1C 758115242 BNBDWUPZTCWQBN-CYBMUJFWSA-N 267.376 3.652 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2nc(S)oc2c1 856374106 NFNFIJLZSPBXMH-UHFFFAOYSA-N 290.388 3.591 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NNc1ccccc1F 755628294 JDSZFCOFQWCDEQ-UHFFFAOYSA-N 294.333 3.766 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@H]1CCCC(C)(C)C1 755431377 VBZGYFZPXQABOT-ZDUSSCGKSA-N 287.359 3.689 30 20 CHED N#CC1(COC(=O)CC[C@H]2CC2(Cl)Cl)CCCC1 850932189 BJMMOCVUTWTTOA-JTQLQIEISA-N 290.190 3.588 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](F)c1ccccc1 851207178 UJJPSAANLJCZSE-WCQYABFASA-N 263.312 3.569 30 20 CHED C#CCCCC(=O)Oc1cc(C)c(Cl)c(C)c1 758074353 DVMLMJBKQQZASK-UHFFFAOYSA-N 250.725 3.666 30 20 CHED CCOC(=O)C[C@@H]1CCCCC1=NOCc1ccccc1 754924545 VKKHNYLKBHUDEG-HNNXBMFYSA-N 289.375 3.703 30 20 CHED C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ccco1 850916832 MRWRFQAOIXCJIY-GFCCVEGCSA-N 261.321 3.748 30 20 CHED CCCCCCCCCN(C)C(=O)N=c1cc[nH]cc1F 760019933 NOTVOCOSFGNXQZ-UHFFFAOYSA-N 295.402 3.857 30 20 CHED Cc1cc(/C=C2\CCc3scnc3C2=O)cc(C)c1O 863196552 NFLFWRCXVMAJTG-KPKJPENVSA-N 285.368 3.678 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 860500079 DRUNZLVTCLPVRL-LLVKDONJSA-N 290.319 3.529 30 20 CHED COc1ccccc1NC(=S)Nc1cccc(C#N)c1C 769796507 ZVFMGPRHXCFRET-UHFFFAOYSA-N 297.383 3.684 30 20 CHED CC1(C)CCCC[C@@H]1CC(=O)OCC1(C#N)CCC1 768079538 WCTXYLGGRNLVBF-CYBMUJFWSA-N 263.381 3.830 30 20 CHED C#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1 767528021 ZKEDJKIADHRXLQ-QRVBRYPASA-N 290.362 3.898 30 20 CHED C=CCSCCNC(=O)C(C)(C)C1CCCCC1 766783026 ICMQAINNYXUHDH-UHFFFAOYSA-N 269.454 3.628 30 20 CHED CCCCCCCCc1nc([C@@H]2CCCN2C(C)=O)no1 867072488 FJSAYPQJUFCUTJ-AWEZNQCLSA-N 293.411 3.656 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(OC)s1 763155623 VYAIDRGOPWTQBW-UHFFFAOYSA-N 285.372 3.551 30 20 CHED Cc1cc(C=NNc2ncccc2C(F)(F)F)c(C)o1 767900750 WMNNZZKCMZJYNC-UHFFFAOYSA-N 283.253 3.756 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1ccccc1N(C)C 769570505 PWCBVUJJEWNADR-UHFFFAOYSA-N 289.329 3.867 30 20 CHED Fc1ccc(NN=Cc2ccc(Br)o2)cc1 864536370 BSRLBOAJUCLGDJ-UHFFFAOYSA-N 283.100 3.627 30 20 CHED C=CCCCOC(=O)[C@@H](CC)OC1CCCCC1 761241537 OFRMINQFELABHD-CQSZACIVSA-N 254.370 3.624 30 20 CHED C#CCOc1ccccc1-c1noc([C@H]2CC[C@@H](C)C2)n1 762002632 YKSNLQPVCJAOST-OLZOCXBDSA-N 282.343 3.652 30 20 CHED C#C[C@@H](OC(=O)CCC(F)(F)F)c1ccc(C)cc1 860964329 NGBVOTISMFDBGJ-GFCCVEGCSA-N 270.250 3.555 30 20 CHED CCCCCCCCOCc1nnc([C@H]2CCO[C@@H]2C)o1 1118258864 PXZQUMDUZLASOQ-KGLIPLIRSA-N 296.411 3.839 30 20 CHED C=C[C@@H](COC)NC(=O)[C@H](CCC)CC1CCCCC1 1116622917 NIOCMWKSWYQWAS-CVEARBPZSA-N 281.440 3.690 30 20 CHED Cc1ccc([C@H](C)C(=O)OCCCCC(C)(C)C#N)o1 768739425 QPZULNMBJGJFRY-ZDUSSCGKSA-N 277.364 3.955 30 20 CHED C=CCC[C@H](NC[C@@H]1COC2(CCC(C)CC2)O1)C1CC1 777314460 VEYLKPGAGGLMKZ-MKFDVMFOSA-N 293.451 3.643 30 20 CHED C=C(CC)COC(=O)Cc1c(C)nc2ccccc2c1C 773430695 STEBOXGHGRNIGL-UHFFFAOYSA-N 283.371 3.904 30 20 CHED CCNc1ccc(C#N)cc1NCc1cccc([N+](=O)[O-])c1 776848421 NHSKGTMOEZHDKQ-UHFFFAOYSA-N 296.330 3.510 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@H]1c1ccccc1 878053283 DNTQEOCWAJJKNO-HNNXBMFYSA-N 257.377 3.952 30 20 CHED CN(Cc1cc2ccccc2[nH]1)c1ccc(Cl)c(C#N)n1 1116227463 ISLGEJXOUSPVBW-UHFFFAOYSA-N 296.761 3.724 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc2ccccc2n1 773091659 VEFJXDSVYWJVOH-UHFFFAOYSA-N 291.358 3.594 30 20 CHED CC[C@@H](C#N)OC(=O)c1cccn1[C@H](C)Cc1ccccc1 773785307 PRSGKFVEWAEGMQ-ZBFHGGJFSA-N 296.370 3.751 30 20 CHED C=CCCCc1nnc(-c2cc(-c3ccccc3)on2)o1 1118415642 UVXQAXMUFLLVHT-UHFFFAOYSA-N 281.315 3.900 30 20 CHED C=CCNC(=S)Nc1ccc(COc2ccccc2)cc1 773182208 LCOQVOIBTZQTMI-UHFFFAOYSA-N 298.411 3.738 30 20 CHED C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1CC1(CC#N)CC1 878095662 ABLICSBSFVXRII-VYDXJSESSA-N 284.403 3.531 30 20 CHED C(CSCc1ccccc1)=NOCc1cccnc1 774395823 UWKNLPYKRUHKQQ-UHFFFAOYSA-N 272.373 3.517 30 20 CHED C=C[C@@H](C(=O)NC[C@H]1CCC(F)(F)C1)c1ccccc1 1123871349 IEDOTJIWLXDDMZ-GXTWGEPZSA-N 279.330 3.508 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCc2ccc(F)cc21 779906062 UDUWBQCGIHARIL-MRXNPFEDSA-N 273.351 3.513 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc(C#N)c(F)c1 776729198 ROUQVYHCUBUEAL-SREVYHEPSA-N 297.333 3.614 30 20 CHED C#CCCCCC(=O)O[C@H](CC)c1ccc(OC)cc1 773797357 SGFIOXCLWWVOIZ-MRXNPFEDSA-N 274.360 3.883 30 20 CHED c1cc(NN=C2CC3(CCC3)C2)c2ccncc2c1 772840899 AWLFARQZLKSKQD-UHFFFAOYSA-N 251.333 3.967 30 20 CHED C=C1CCC(C(=O)Nc2cccc(Cn3cccn3)c2)CC1 888119517 IGDBHRJZMHOQPX-UHFFFAOYSA-N 295.386 3.616 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(OC(C)(C)C)c1 888558233 SRLNSMRGLOINFY-INIZCTEOSA-N 274.364 3.742 30 20 CHED C=CCCCCCOC(=O)C[C@H](O)c1cccc(F)c1 784365122 IAVKZRVDEHIURG-HNNXBMFYSA-N 280.339 3.539 30 20 CHED COc1ccc(O)c(/C=N\CC(F)(F)c2ccccc2)c1 788674991 RKLIIRKHFCHVHS-GRSHGNNSSA-N 291.297 3.612 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1coc(C)n1 788965317 FAJXMAZEZHCDOD-UHFFFAOYSA-N 285.134 3.521 30 20 CHED CC(C)(C#N)CCCOC(=O)CSc1ccccc1 782373885 VMNGPMNYZQBZFP-UHFFFAOYSA-N 277.389 3.652 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C#N)c1 1124203427 FEOCPLAZYANFEP-HIFRSBDPSA-N 256.349 3.713 30 20 CHED CCc1cccc(NC(=S)N2CCC[C@](C)(C#N)C2)c1 783774438 VKHXFENGYVPHJU-MRXNPFEDSA-N 287.432 3.571 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1ccc(C(F)(F)F)nn1 783863882 SDCJLABDSJYSRL-BDAKNGLRSA-N 286.301 3.719 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)c1c(Cl)cccc1Cl 781175399 MAGHISXCGDJXHF-BDAKNGLRSA-N 286.158 3.942 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1ccc2ncccc2c1 782444588 ZFFXLNDGSSUHFB-SFHVURJKSA-N 299.370 3.507 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1cc(F)cc(C#N)c1 1132445657 KFUWHAYIMLZSFO-LLVKDONJSA-N 274.339 3.852 30 20 CHED C#CCCCCCC(=O)OCC(=O)c1cc2ccccc2o1 780262524 CFHKCHILZFDUIK-UHFFFAOYSA-N 298.338 3.742 30 20 CHED C=C1CC(c2noc(CCc3ccc(F)cc3F)n2)C1 896884092 VIXVHWDBXSIMAI-UHFFFAOYSA-N 276.286 3.567 30 20 CHED CC(C)[C@@H]1CCCC(=NNc2ccc(Cl)nn2)C1 794457155 VWIXYKYLTGJZFJ-SNVBAGLBSA-N 266.776 3.744 30 20 CHED C#Cc1cccc(NC(=S)N(CC2CCC2)CC2CC2)c1 795030307 AXOQMYZEXXRRSY-UHFFFAOYSA-N 298.455 3.877 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)c1cc(F)c(C)cc1F 796462211 GRDLEBPFFZTOSM-UHFFFAOYSA-N 296.313 3.601 30 20 CHED CC(C)(C)c1cnc([C@@H](C#N)C(=O)C=C2CCC2)s1 797572621 DQGQHGUNDDVXAR-NSHDSACASA-N 274.389 3.727 30 20 CHED CC(=NNc1ncccc1C)c1cccc(OC(F)F)c1 790186749 RNGKZTALPCOQJF-UHFFFAOYSA-N 291.301 3.828 30 20 CHED Cc1ccc(NC(=S)NN=C2CCC[C@H]2CCF)cc1 794866094 PNTMZXTUKNJTIX-LBPRGKRZSA-N 293.411 3.797 30 20 CHED CCO[C@H]1CC(=NOCc2ccccc2OC)C12CCC2 799118643 OJIIBJGNLWAXCH-INIZCTEOSA-N 289.375 3.547 30 20 CHED CC(C)c1nc(C#N)c(NN=Cc2ccc3occc3c2)o1 794899472 MPDUIWJKWRMWHW-UHFFFAOYSA-N 294.314 3.862 30 20 CHED CC[C@@H](C)CCC(=O)[C@H](C#N)c1nc2ccccc2o1 796816778 KGPAXQLDHYRZIW-NEPJUHHUSA-N 270.332 3.830 30 20 CHED Cc1csc(C(=O)Oc2ccc(C#N)cc2F)c1Cl 792541528 LIGFEUABGXWXLB-UHFFFAOYSA-N 295.722 3.940 30 20 CHED Cc1cc(C)c2c(c1)NC(=O)/C2=C\c1ccc(C#N)cc1F 799898155 VOSMTRPFFKTBOI-ZSOIEALJSA-N 292.313 3.807 30 20 CHED Cc1cc(SCCc2cscn2)ccc1C#N 1166399396 FIWQCMXTCSUMQS-UHFFFAOYSA-N 260.387 3.658 30 20 CHED Cc1nc(C(=O)OCC[C@@H]2CCC[C@@H](C)C2)ccc1C#N 1319074024 WCYIALCCKBJCLW-OCCSQVGLSA-N 286.375 3.635 30 20 CHED N#Cc1ccc(NCCOc2ccc3c(c2)CCC3)cc1 1317910102 JJBMPCRCZRNLSI-UHFFFAOYSA-N 278.355 3.538 30 20 CHED C#CCCCCC(=O)NCc1ccc(Cl)c(Cl)c1 702044553 MUSLOEZAGAJTSA-UHFFFAOYSA-N 284.186 3.803 30 20 CHED CCc1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)cc1CC 1327715656 CSAKEDJBGXVLPJ-UHFFFAOYSA-N 296.414 3.862 30 20 CHED CC(C)[C@H]1CCCN(Cc2ccc(F)cc2C#N)CC1 303668584 YDZXOSXXJNEXJQ-AWEZNQCLSA-N 274.383 3.955 30 20 CHED C=CC1CCN(Cc2c(F)cccc2Cl)CC1 554074662 AMHHGLNPMQOQPF-UHFFFAOYSA-N 253.748 3.877 30 20 CHED Cc1cccc(F)c1CNc1ccc(C#N)cc1F 742421089 KIFSLHZPSUGKSP-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C[C@@H](NC(=O)CC#Cc1ccccc1)c1ccccc1Cl 1321893170 WGKZWRITTCCQRM-CQSZACIVSA-N 297.785 3.959 30 20 CHED C=CCCSCCN[C@@H](C)c1ccccc1OC 595059884 QXTWEIKSTWWABX-ZDUSSCGKSA-N 265.422 3.655 30 20 CHED N#Cc1cccc(-c2nnc([C@H]3CCCC(F)(F)C3)o2)c1 1329094916 ODCWZIUISCUETF-LBPRGKRZSA-N 289.285 3.901 30 20 CHED CC1(C)CCN(c2ccc(C#N)cn2)CC(C)(C)C1 711098111 KOVBSCHZHIFIEM-UHFFFAOYSA-N 257.381 3.606 30 20 CHED C[C@@H]1CC(Nc2nc3c(cc2C#N)CCC3)C[C@@H](C)C1 84438954 NJFAFGDIYDCLLL-RYUDHWBXSA-N 269.392 3.679 30 20 CHED N#Cc1ccc(F)c(CNCc2cscc2Cl)c1 771970343 OYVAKFLJPXUQCG-UHFFFAOYSA-N 280.755 3.702 30 20 CHED CC(C)CN(CCC#N)Cc1cccc(C(F)F)c1 791470316 GKWNSUZQQMSMIQ-UHFFFAOYSA-N 266.335 3.996 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(Cl)cn2)no1 1338362041 MEOJFTMMVDNAFA-CYBMUJFWSA-N 263.728 3.639 30 20 CHED Cc1ccc2oc(C(=O)O[C@H]3CC[C@H](C#N)C3)cc2c1 1263379867 YQKIHAWZFSZMOR-AAEUAGOBSA-N 269.300 3.590 30 20 CHED Cc1cc(C=NNc2c(Cl)cc(F)cc2Cl)ncn1 1261232906 YMGJEZMBSZYDCN-UHFFFAOYSA-N 299.136 3.677 30 20 CHED C=C[C@H](CC)CC(=O)Oc1ccc(NC(=O)C2CC2)cc1 1343418434 VLZPZBLNUQSDIN-GFCCVEGCSA-N 287.359 3.543 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cc(-c2ccccc2)ccn1 1340893523 PDCQCTKDELUKQK-MRXNPFEDSA-N 293.370 3.513 30 20 CHED CC1(C)C[C@]1(C(=O)O[C@@H]1CC[C@H](C#N)C1)c1ccccc1 1342631146 AKKLWEZWJMCZNR-JCKWVBRZSA-N 283.371 3.590 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1cc(C#N)ccc1C)C1CC1 1359988177 VZFXUHIGPXWFOS-JSGCOSHPSA-N 284.403 3.906 30 20 CHED C=CC[C@@H](C)NC[C@@H](O)c1ccc(Cl)cc1Cl 1353317229 VGFOESIRFQYJMN-NOZJJQNGSA-N 274.191 3.581 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@@H](C)C1CCCCCC1 1435846665 RSGVDXVYVJOHRE-NSHDSACASA-N 274.364 3.548 30 20 CHED Cc1cc(C)cc(CC(=O)Nc2cccc(CC#N)c2)c1 1436285456 RQCSMVBZBZMOIU-UHFFFAOYSA-N 278.355 3.551 30 20 CHED CCCOc1cccc(COc2ccccc2C#N)c1 1458836858 PKHMROFCMAHPJP-UHFFFAOYSA-N 267.328 3.926 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1cccc(F)c1Cl 1525314805 QDAPSQNDUXCNFB-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1C[C@@H]2CCC[C@@H]21 1474430778 POCHVGHFJWMHSE-MELADBBJSA-N 256.349 3.557 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2c(F)cccc2Cl)n1 1472718798 NHIQVTWMBREADB-MRVPVSSYSA-N 290.729 3.622 30 20 CHED CN(Cc1ccc(F)c2ccccc12)CC(C)(C)C#N 1474543157 YCVHZOHCFCCICI-UHFFFAOYSA-N 270.351 3.960 30 20 CHED CCC(CC)CN(CC)c1ccc(Cl)c(C#N)n1 1472738146 CTYJMFVKGSYWKX-UHFFFAOYSA-N 265.788 3.869 30 20 CHED Cc1cc(CN2C[C@@H](C)Oc3c(F)cccc32)ccc1C#N 1621262421 UOYCZDUPCBUCLW-CYBMUJFWSA-N 296.345 3.793 30 20 CHED CC[C@H](C#N)C(=O)NCC1(c2ccccc2C)CCCCC1 1632007779 KTAKNJZUAAZCEF-MRXNPFEDSA-N 298.430 3.863 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1cccc(C)c1C 1587564006 JOABADOBNJUNLM-UHFFFAOYSA-N 292.338 3.630 30 20 CHED C=CCCCCCN[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 1588799898 OCQWONCQUBLGMB-CQSZACIVSA-N 299.773 3.941 30 20 CHED Cc1cc(SCC(=O)OCc2ccccc2)ccc1C#N 1652912833 WRHSJFQRCYOHJS-UHFFFAOYSA-N 297.379 3.702 30 20 CHED CC(C)c1cccc(C=NNc2cccc(C(=O)O)c2)c1 1776037749 ZQQBSIRWLNOJIT-UHFFFAOYSA-N 282.343 3.954 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](C1CCCCC1)C1CCC1 1682235562 ILNFBNUIJMHUFJ-AWEZNQCLSA-N 284.831 3.787 30 20 CHED CC(CCc1ccccc1)=NNc1ccc(CC(=O)O)cc1 1776083516 KYFLSYIDADVOFO-UHFFFAOYSA-N 296.370 3.734 30 20 CHED O=C(O)c1cc(C=NNc2ccc(F)c(Cl)c2)cs1 1776097790 CGGMJNOFMIMATE-UHFFFAOYSA-N 298.726 3.685 30 20 CHED C=C(C)CN(CC)[C@H](C(=O)O)c1ccc(F)c(Cl)c1 1776140160 BSZCVWYVQXWJMX-ZDUSSCGKSA-N 285.746 3.503 30 20 CHED CC1(Nc2nc(C(C)(C)C)ccc2C#N)CCCC1 1650680938 GNFXWBBADKRJBH-UHFFFAOYSA-N 257.381 3.995 30 20 CHED C=CCn1c(C)nnc1SCCCCC(F)(F)F 161952668 JFHTVPCALSJBHS-UHFFFAOYSA-N 279.331 3.597 30 20 CHED C[C@@H](CC(=O)N[C@H](C)CC#N)c1ccccc1C(F)(F)F 162294960 AXOBVMRDPOMTSN-WDEREUQCSA-N 298.308 3.617 30 20 CHED N#CCc1ccc(NC[C@@H]2CCOc3ccccc32)cc1 169061402 FMVBQZIEFRAZGM-HNNXBMFYSA-N 278.355 3.731 30 20 CHED C=CCCC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 158837412 ZRJHJADFCMHUSF-UHFFFAOYSA-N 295.386 3.730 30 20 CHED CC(C)(C#N)CNC1CC(c2ccc(Cl)cc2)C1 168938200 QFSOMNZOMXSXGL-UHFFFAOYSA-N 262.784 3.725 30 20 CHED C=CCCC(=O)OCc1cc2c(Cl)cccc2[nH]1 151012486 AHMMHRQSNFXDNF-UHFFFAOYSA-N 263.724 3.831 30 20 CHED C[C@@H](c1ccco1)N(C)CCCOc1cccc(C#N)c1 155797474 QAOOAACNBHDRFW-AWEZNQCLSA-N 284.359 3.613 30 20 CHED N#Cc1ccccc1NC(=O)c1ncc(Cl)cc1Cl 1124260678 SNLGBNVDQGFNSN-UHFFFAOYSA-N 292.125 3.512 30 20 CHED CCOCCCCNc1ccc(C#N)c(C(F)(F)F)c1 109129014 BVULCLXFAFKHPD-UHFFFAOYSA-N 286.297 3.806 30 20 CHED COc1cccc(Cl)c1CNc1ccc(F)c(C#N)c1 228744293 UTCLIJNITRJCNW-UHFFFAOYSA-N 290.725 3.971 30 20 CHED N#Cc1ccccc1C[S@](=O)c1ccc(F)c(Cl)c1 126893901 QFWNYINDGXJHGW-LJQANCHMSA-N 293.750 3.659 30 20 CHED C[C@@H](O)C[C@H]1CCCCCN1CCCCC(C)(C)C#N 235256109 JXMLYALMIIPCJG-HZPDHXFCSA-N 280.456 3.722 30 20 CHED CCCCCCCCCC(=O)NC[C@]1(C)CCCNC1 128954870 MQXHZTVURDXAKV-QGZVFWFLSA-N 282.472 3.633 30 20 CHED CC[C@@H](C)[C@H](C(=O)N(CC)CCC#N)c1ccccc1 42454213 ZFLQTWWNOKESIZ-ZBFHGGJFSA-N 272.392 3.578 30 20 CHED Cc1ccc(CN(C)Cc2ccc(F)c(C#N)c2)cc1 160522460 YMKCBYFRFBQAQF-UHFFFAOYSA-N 268.335 3.638 30 20 CHED Cc1ccc(C)c(C(=O)N[C@@H](C#N)C2CCCCC2)c1 40360393 PJFJOTVHBLOFOS-INIZCTEOSA-N 270.376 3.506 30 20 CHED Cc1c(Cl)cncc1NCC(C)(C)CCC#N 295050926 FUDVFCXIJXPRBL-UHFFFAOYSA-N 251.761 3.785 30 20 CHED C[C@H]1CCSCCN1CCCCC(C)(C)C#N 348161439 NIZPXNURLMQGMC-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED CCc1nc(C#N)cc(SCc2ccccc2Cl)n1 308275961 CYMBQGMLBCINSE-UHFFFAOYSA-N 289.791 3.856 30 20 CHED CC[C@@H]1CC[C@@H](C)N(Cc2cc(C#N)ccc2OC)C1 312376495 LSVIAIACFPZPLN-ZIAGYGMSSA-N 272.392 3.577 30 20 CHED CCc1cnc(COc2cc(C)c(C#N)c(C)c2C)o1 551932635 ILRCFRSDSMQQPN-UHFFFAOYSA-N 270.332 3.613 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C1CCCC1 470641610 METBBLDLUYLVQE-UHFFFAOYSA-N 257.377 3.782 30 20 CHED Cc1cccc(CCNc2ccc(C#N)c(Cl)c2)n1 359842489 VSYJRZYQDMIUMM-UHFFFAOYSA-N 271.751 3.570 30 20 CHED CC1(C)CN(Cc2cc(C#N)ccc2F)[C@@H]2CCC[C@H]21 393542598 FNNCRSNPACNYDH-GDBMZVCRSA-N 272.367 3.708 30 20 CHED C#C[C@H](C)N(C)Cc1cc(Br)ccc1Cl 769960353 BIAWVDUCNGGVFT-VIFPVBQESA-N 286.600 3.556 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1Cl 6224617 ZBOWMYCXRVKAMB-UHFFFAOYSA-N 292.672 3.742 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 16407581 FYFQIZHJJHUXBM-GORDUTHDSA-N 288.249 3.590 30 20 CHED N#CCOc1ccc(NC(=O)CCC2CCCCC2)cc1 18830223 JLYOQVARMCEOAA-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C[C@@H](Sc1cccs1)C(=O)Nc1ccccc1C#N 20078185 WGNOQCKKIAGEPJ-SNVBAGLBSA-N 288.397 3.739 30 20 CHED Cc1cccc(C2(C(=O)Nc3cccc(C#N)c3)CCC2)c1 24732561 RSWIBIHLDXXCAE-UHFFFAOYSA-N 290.366 3.927 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)C(=O)/C=C/c1ccccc1C#N 27254442 DVYKTLYKLIRPII-JWMKMDFTSA-N 282.387 3.609 30 20 CHED Cc1c(N[C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] 37299537 GFNBWQZFEZPWGX-LBPRGKRZSA-N 281.315 3.948 30 20 CHED C#Cc1cccc(NC(=O)c2ccccc2OC(F)F)c1 41636831 CCKLMHJPBVUYOR-UHFFFAOYSA-N 287.265 3.522 30 20 CHED CC[C@@H](CNC(=O)c1cccc(CC#N)c1)c1ccccc1 42399535 WBUDISLWCQFAPT-INIZCTEOSA-N 292.382 3.676 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(C)cc2F)cc1 43733498 MLNGXLYYWDVVMI-UHFFFAOYSA-N 285.318 3.951 30 20 CHED CCCCOCCNc1ccc(C(F)(F)F)cc1C#N 45109547 WTUDHVTYYNFJHJ-UHFFFAOYSA-N 286.297 3.806 30 20 CHED C=CCNC(=O)Nc1ccccc1SC(F)(F)F 47863144 UOSOEINUUKRGJX-UHFFFAOYSA-N 276.283 3.606 30 20 CHED CC(C)NCc1cccc(-c2ccc(C#N)s2)c1 50266995 QSTDXETVWGIOKN-UHFFFAOYSA-N 256.374 3.785 30 20 CHED CC(C)c1ccc(OCCNc2ccc(C#N)cn2)cc1 52326267 RGGMYKXNYXMRHN-UHFFFAOYSA-N 281.359 3.568 30 20 CHED COc1ccccc1CNc1ccc(C#N)cc1Cl 62790728 XGFHQCVORQEYJG-UHFFFAOYSA-N 272.735 3.832 30 20 CHED CSCc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 66551665 ZQGJLXMUFHDUQO-UHFFFAOYSA-N 282.368 3.674 30 20 CHED CC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68768376 NTLNDSLTEOVRCU-GMTAPVOTSA-N 297.185 3.515 30 20 CHED Cc1cc(F)ccc1NC(=O)N(CCC#N)CCC(C)C 78463800 QERWJSHRIHAXQJ-UHFFFAOYSA-N 291.370 3.928 30 20 CHED COc1ccc(CN[C@@H](C)[C@H](C)c2ccccc2)cc1C#N 80248225 RNDNRVVQMPYBSR-GJZGRUSLSA-N 294.398 3.849 30 20 CHED CC[C@H](C)[C@H](/C(O)=N/c1nc(C)n[nH]1)c1ccccc1 83683137 URNUANJQFONHRJ-GWCFXTLKSA-N 272.352 3.531 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(F)c(Cl)c2)c1 84058792 RWEMSMIMXATRPE-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CCc1ccc([C@@H](C)CC(=O)O[C@H](C#N)CC)cc1 84711195 SGWXUHKYARNBSS-WFASDCNBSA-N 259.349 3.588 30 20 CHED CC(C)(C#N)CCN1C(=O)c2cccc3cccc1c23 87595776 URKUPIHDALXYTJ-UHFFFAOYSA-N 264.328 3.740 30 20 CHED COc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1C#N 87823778 KEHZLTGJMCLTQT-CQSZACIVSA-N 280.371 3.726 30 20 CHED Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C#N)cc1)CCC2 111311204 JQAGMXJUMZWTBS-MRXNPFEDSA-N 297.427 3.833 30 20 CHED CCC[C@@H](C)CC(=O)Nc1ccnn1-c1ccc(C#N)cc1 112830986 VJOBRJAPMKFASY-CYBMUJFWSA-N 296.374 3.509 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H]2CCc3ccccc32)C1 116813104 XVEUHVPHKVYZSG-ALKREAHSSA-N 296.414 3.695 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccccc1C(F)(F)F 116931824 YFSAENBTBKPJTN-SECBINFHSA-N 272.270 3.792 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)s1 119270979 NMKJMPJZZVQGPK-UHFFFAOYSA-N 295.411 3.904 30 20 CHED C=CCC[C@@H](NC[C@@H](c1ccco1)N1CCCC1)C1CC1 119810908 XSDCFBHBYKKXBF-SJORKVTESA-N 288.435 3.751 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cccc(C)c1C 121701466 XOEVNKHRHCSBFB-UHFFFAOYSA-N 272.392 3.896 30 20 CHED N#CC1(NC(=O)c2ccc3ccccc3c2O)CCCCC1 122009403 SBIBIUMVWCEMKL-UHFFFAOYSA-N 294.354 3.502 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1CC1 122232497 PPPCEMHUMYYHAW-UHFFFAOYSA-N 284.812 3.509 30 20 CHED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CCC#N 123236076 QXVMCSZJPQTKBN-SNVBAGLBSA-N 256.271 3.612 30 20 CHED Cc1nc(C(C)(C)NCc2cccc(C#N)c2)sc1C 124749302 ARWBENJQESCMMM-UHFFFAOYSA-N 285.416 3.657 30 20 CHED C=C(C)COCCN[C@@H](CC)c1ccc(Cl)cc1 125626507 NUGMFICBQQPEBM-HNNXBMFYSA-N 267.800 3.973 30 20 CHED CC[C@](C)(C#N)NC(=O)c1oc2c(C)ccc(C)c2c1C 127012116 ADHAUPLUDRTYMQ-QGZVFWFLSA-N 284.359 3.780 30 20 CHED CCc1ccccc1CNc1ccc(C#N)cc1OC 129961367 FIESYTITCXQGFQ-UHFFFAOYSA-N 266.344 3.741 30 20 CHED CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)cc1 130158990 PQNRREJKICJRDN-KRWDZBQOSA-N 265.360 3.536 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H]1CCC[C@@H](C)C1 130425466 YOMPBGXUAFQHDP-CJNGLKHVSA-N 272.392 3.577 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CO2 130775999 OUXXQNHMPFZDLU-SUMWQHHRSA-N 278.355 3.651 30 20 CHED COC(=O)c1occc1/C=C1/C[C@@H](C)c2ccccc2C1=O 131132240 IYNBMYFFOMIUOF-COVOJHCQSA-N 296.322 3.840 30 20 CHED N#CCc1ccc(NCc2cc(F)cc(F)c2)cc1 131985957 GUFPFFAMSIDTMN-UHFFFAOYSA-N 258.271 3.643 30 20 CHED C=CCOc1ccc(CN[C@@](C)(CC)CCO)cc1Cl 134469395 URAPZXYGYMCBOJ-INIZCTEOSA-N 297.826 3.546 30 20 CHED C[C@@H]1CC[C@@H](C)N1Cc1ccccc1C(C)(C)C#N 135286264 SCCBVPHIVGTICV-ZIAGYGMSSA-N 256.393 3.861 30 20 CHED CC(C)SCc1ccc(C#N)cc1Br 144045938 WUCILXALBXZSMZ-UHFFFAOYSA-N 270.195 3.962 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(OC)c(F)c2)cc1 147397217 GQNMIMYIJQJNRM-OQFOIZHKSA-N 286.302 3.739 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H](C)Oc1ccc(C)cc1 150952597 YFIMRGZLBWVREC-HNNXBMFYSA-N 287.403 3.647 30 20 CHED C=CCOc1ccccc1C(=O)Nc1cscc1C 151196931 MMBYNMHBZIKEFJ-UHFFFAOYSA-N 273.357 3.874 30 20 CHED C=CCC[C@H](NC(=O)C[C@@H](C)SC)c1ccccc1 152557610 IKIZFLHJFBPJLN-HIFRSBDPSA-N 277.433 3.952 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccccc1SC(F)F 155592606 MTASBEYDMSLDJD-VIFPVBQESA-N 299.346 3.815 30 20 CHED 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343020162 KHEAXKZKEZAWLT-UHFFFAOYSA-N 284.469 3.698 30 20 CHED C=C(CN[C@H](C)c1cncc(C)c1)c1ccccc1 343856460 JJRLIYJCHSVXPF-OAHLLOKOSA-N 252.361 3.754 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)c1ccc2n[nH]cc2c1 343934548 FXMXJFOMIBSHII-LLVKDONJSA-N 262.316 3.608 30 20 CHED CN(CCC(C)(C)C#N)[C@H]1CCCN(Cc2ccccc2)C1 345730094 PLUVCKODYFGERM-SFHVURJKSA-N 299.462 3.523 30 20 CHED C=CCC[C@@H](O)CN[C@@H](CC1CCC1)c1ccccc1 351101521 OBXHLUFCSVVREY-MSOLQXFVSA-N 273.420 3.835 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C)n(CC)c1C 352276922 ZDAJSQUTZIDHHZ-UHFFFAOYSA-N 276.424 3.943 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccn(C(C)C)c1C 352478443 XAMVPAGDRBQUAS-UHFFFAOYSA-N 262.397 3.710 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H](F)C2)c(C(F)(F)F)c1 352869867 IIZMDKJMNHWLKQ-VXGBXAGGSA-N 286.272 3.557 30 20 CHED N#Cc1ccc(CNCC2(C(F)(F)F)CCC2)c(F)c1 353081882 FXRGCNAKOJQVRN-UHFFFAOYSA-N 286.272 3.520 30 20 CHED C=CC[C@@H](C)N[C@H](Cc1ccncc1)c1ccc(OC)cc1 353627162 ZAHDVRQQDYUJNQ-DNVCBOLYSA-N 296.414 3.928 30 20 CHED C=CCCC1(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)CC1 353681448 CHNQOTXMLVSUAH-GFCCVEGCSA-N 291.366 3.758 30 20 CHED Cc1ccccc1C1CCN(c2cnccc2C#N)CC1 354326933 GDWJNVFHNPWCEK-UHFFFAOYSA-N 277.371 3.646 30 20 CHED CCC1(C)CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 356038309 BQGOGOYAUXXFNP-UHFFFAOYSA-N 289.354 3.741 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H](CC3CC3)C2)cc1 359698106 VFYKBBXLDKQZJJ-OAHLLOKOSA-N 285.387 3.514 30 20 CHED C[C@@H]1C[C@H](NCCCCC#N)c2ccsc2S1 361114000 PVZMMOWPLZVYAQ-PWSUYJOCSA-N 266.435 3.957 30 20 CHED N#Cc1ccc(CN2CCC3(CCCC3)CC2)cc1F 361824551 DXGDTFDUKBNVDN-UHFFFAOYSA-N 272.367 3.854 30 20 CHED CCSc1ccc(Cl)cc1C(=O)N[C@H](C#N)C(C)C 362043163 GJLVPEIDJNTNIN-GFCCVEGCSA-N 296.823 3.730 30 20 CHED C=C[C@@H](C)NC(=O)c1occc1CSc1ccccc1 362598560 FKPHBPGISCWMNZ-GFCCVEGCSA-N 287.384 3.876 30 20 CHED N#CC1(c2ccccn2)CCN(CC2CCCCCC2)CC1 370316396 SKDRXRQVGGMGEF-UHFFFAOYSA-N 297.446 3.909 30 20 CHED C=C(C)CCNC(=O)c1ccc(F)c(C(F)(F)F)c1 387411452 MGXNZQKXPCBQMO-UHFFFAOYSA-N 275.245 3.541 30 20 CHED CC(C)C(CNc1ccc(OCC#N)cc1)C(C)C 388533616 LUWNINZHQMIBTI-UHFFFAOYSA-N 260.381 3.929 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc2c(c1)CCCCC2 404685878 LSYBQBQLCUEKNH-KRWDZBQOSA-N 270.376 3.834 30 20 CHED C=CCCCCNC(=O)NC[C@H](CC)CC(F)(F)F 413447468 FJPLLWHURQWBPX-LLVKDONJSA-N 280.334 3.621 30 20 CHED C=CC[C@H](CO)CN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 414097425 IZMSZVSRAUKDGS-LXZKKBNFSA-N 293.838 3.750 30 20 CHED CC(C)(C)c1ccncc1CN[C@H]1CCC[C@@H](C#N)C1 414234990 TUORTOBZJMGAIL-HIFRSBDPSA-N 271.408 3.551 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N2CCc3cc(C#N)ccc32)C1 416016738 IHVYWWNLKUPJCD-ZIAGYGMSSA-N 282.387 3.664 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](Oc2ccccc2)C1 416271796 SOFTZMLAVVKNMP-AEFFLSMTSA-N 287.403 3.659 30 20 CHED C[C@@H](NCc1ccc(C#N)o1)c1ccc(C2CC2)cc1 418110102 BDIFVNURDALXMY-GFCCVEGCSA-N 266.344 3.879 30 20 CHED CC#CCCCC(=O)Nc1ccc2c(c1)C(=O)CCCC2 421717329 XPHYPHNCMSXREP-UHFFFAOYSA-N 283.371 3.728 30 20 CHED C[C@H](N[C@@H](CCCN)c1ccccc1)c1ccc(C#N)cc1 423503078 MLAOJKNFEQHHMG-KXBFYZLASA-N 293.414 3.689 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[C@H]1C 424610956 CNYMIGLFWWSLKN-CRAIPNDOSA-N 296.414 3.899 30 20 CHED C=C[C@H]1CCCCN1Cc1nn(CC)c2ccccc12 426573087 JMYZZZDJQKPDPQ-AWEZNQCLSA-N 269.392 3.597 30 20 CHED CCc1nc(C)ccc1OCc1cccc(F)c1C#N 427562397 AROCOVVYVOGFGR-UHFFFAOYSA-N 270.307 3.542 30 20 CHED Cc1cc([C@H]2CCCN2CCC#N)ccc1Br 430226064 ZPCHGASZWNNVSJ-CQSZACIVSA-N 293.208 3.808 30 20 CHED C=CCC[C@@H](NC(=O)NCC(C)C)c1ccccc1 434983124 SYJVKASQFIGLGO-OAHLLOKOSA-N 260.381 3.649 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1O 436727962 GBVGFBNZWYHGQP-AWEZNQCLSA-N 281.355 3.726 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1=C(C)CCC1 437252722 RPUMHJAJWUXWPM-UHFFFAOYSA-N 280.371 3.573 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1sc(CCC)nc1C 438446261 VEGIUSUQQWOMRT-HNNXBMFYSA-N 296.436 3.571 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC=C(c2ccccc2)C1 442663803 IKDKIMKQRGEGKY-KRWDZBQOSA-N 255.361 3.515 30 20 CHED C=C(C)CNC(=O)Nc1cccnc1-c1csc(C)c1 446432206 UQMFDOOAKJVBGM-UHFFFAOYSA-N 287.388 3.816 30 20 CHED Cc1cc(COc2ccc3c(c2)CCC3=O)ccc1C#N 447291204 VOBXPTNATUNAJN-UHFFFAOYSA-N 277.323 3.575 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 449517718 HBERIPRPRXJIIK-YYHQMBLXSA-N 297.851 3.827 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cscc1C(F)(F)F 449549357 XDBLXGJPTWSHPI-NEPJUHHUSA-N 291.338 3.590 30 20 CHED C=CCC1(C(=O)N[C@H]2CC[C@@H](F)C2)CCCCC1 451761892 IDAYCEOXKXGHPP-OLZOCXBDSA-N 253.361 3.520 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CSc2ccccc21 452214006 KCHGJEHXHRVZMZ-MLGOLLRUSA-N 275.417 3.594 30 20 CHED C=CC[C@@H](C(=O)Nc1cnc2n1CCCC2)c1ccccc1 452334544 NIHUAUIEXMHOHQ-OAHLLOKOSA-N 295.386 3.518 30 20 CHED C=C(C)CCNC(=O)[C@H](OC1CCCC1)c1ccccc1 452727171 XPBJCZAGWQVTPP-QGZVFWFLSA-N 287.403 3.769 30 20 CHED C[C@H](C(=O)NCC(C)(C)C1CCC1)c1cccc(C#N)c1 452785051 MLYHCJLEIFNGDU-ZDUSSCGKSA-N 284.403 3.604 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 455365184 JXCIWNPDXWQBRV-OAHLLOKOSA-N 290.382 3.884 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1 456969189 QDTAZXNTIPCNIN-LSDHHAIUSA-N 296.395 3.979 30 20 CHED C=CCCOCCCCC(=O)N[C@]1(C)CCCC[C@H]1C 457268742 SAOGSXZUAXHGDK-NVXWUHKLSA-N 281.440 3.834 30 20 CHED C=C(C)CCNC(=O)N1CCCC2(CCCCC2)C1 459004384 PHCSNXRKMWWXDV-UHFFFAOYSA-N 264.413 3.709 30 20 CHED C=C(C)Cn1c(C)nnc1N(CCCCC)C(C)C 460391049 UMZZKGZBTSYUGE-UHFFFAOYSA-N 264.417 3.568 30 20 CHED C=CCOc1ccc(C(=O)N2CCC(C(C)C)CC2)cc1 461416751 NYFLYBYSEWSBFL-UHFFFAOYSA-N 287.403 3.760 30 20 CHED CCCC[C@@H](CC)CNC(=O)[C@@H](C)c1cccc(C#N)c1 461895510 AULIKSJPHLVKEA-LSDHHAIUSA-N 286.419 3.994 30 20 CHED CC(C)c1cnc(NC(=O)[C@@H](C)c2cccc(C#N)c2)s1 462192450 UZGGDRVPNPMINX-NSHDSACASA-N 299.399 3.880 30 20 CHED C[C@@H](C(=O)N1CC[C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 462549598 JKEAIVIYTGESEQ-CZUORRHYSA-N 284.403 3.556 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1C[C@H]1Cc1ccccc1 462883484 LVZFDRCBMBSQRY-CXAGYDPISA-N 266.319 3.740 30 20 CHED CC#CCCCC(=O)N(CC(C)C)c1ccc(C#N)cc1 464528012 LVBQBXJSRDKHCF-UHFFFAOYSA-N 282.387 3.741 30 20 CHED C=CCCN(C)Cc1ccc(OCCCC)c(OC)c1 467374188 UTRLEADILWGOLK-UHFFFAOYSA-N 277.408 3.882 30 20 CHED C=CCCCNC(=O)[C@@H](CC1CCCC1)C(C)C 468402100 NYYRHTXZEIDMDX-HNNXBMFYSA-N 251.414 3.921 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC(=C)C)Cc1ccccc1 470645142 UFNMDCNHZHHWGU-INIZCTEOSA-N 287.403 3.573 30 20 CHED C=CCOCCCN(C)c1ccc(F)c(Cl)c1 470764217 FUVTUBHPUFWSOH-UHFFFAOYSA-N 257.736 3.508 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@@H](c1ccccc1)N(C)C 471600053 ZAZCZJDFILCRDH-ZOBUZTSGSA-N 260.425 3.622 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccon1 472150229 CLSXVLNIRJTBOM-AWEZNQCLSA-N 299.374 3.524 30 20 CHED C=CCN(Cc1cc(C#N)cs1)c1ccccc1 475125233 PGAOITIGVAQWBA-UHFFFAOYSA-N 254.358 3.812 30 20 CHED C=CCOCCCOc1cc(Cl)ccc1Cl 475961714 XWTWXIFSYBQQMW-UHFFFAOYSA-N 261.148 3.965 30 20 CHED C=CCOc1ccccc1CNCC1(OC)CCCCC1 479418702 KOJFJRLBWUOQGB-UHFFFAOYSA-N 289.419 3.690 30 20 CHED C=CCC[C@@H](O)CNC(C)(C)c1ccc(OCCC)cc1 483280395 JTGFXSXOQSIESB-MRXNPFEDSA-N 291.435 3.627 30 20 CHED N#Cc1cccnc1/C=C/c1ccc(F)c(C#N)c1Cl 486078174 SWDSXXIKJHLGPX-GQCTYLIASA-N 283.693 3.788 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(CC)c1 486755257 OWKRXCNMTVZCDD-OAHLLOKOSA-N 258.365 3.821 30 20 CHED Cc1nc(N2CCC=C(c3ccccc3)C2)ccc1C#N 487725980 RMLUBTKVVLZZHZ-UHFFFAOYSA-N 275.355 3.555 30 20 CHED N#Cc1cc(F)ccc1COc1cc(F)cc(F)c1 488066350 MVWZQIUQFRQDCN-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NCCC(C)(C)O 488209835 KQRXHJHZNYUKNR-LBPRGKRZSA-N 278.421 3.654 30 20 CHED C=CCn1nnnc1SCc1c(C)ccc2ccccc12 488815389 KZJJCSHMQSBTFA-UHFFFAOYSA-N 296.399 3.613 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H](CC(C)C)C1 489037004 HOVCQQFEDDNKQI-HNNXBMFYSA-N 274.408 3.572 30 20 CHED C=CCC[C@H](C(=O)N1CC[C@@H](CC)C1)c1ccccc1 489679613 MUNPKBBKPOJUGS-WBVHZDCISA-N 271.404 3.995 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)c1ccc(F)cc1 493834972 KSARPURRDBSZJJ-NSHDSACASA-N 270.307 3.879 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 499496256 HJBHFPKRYGBQDC-UONOGXRCSA-N 274.408 3.615 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1cc(F)ccc1F 503580737 DZRGMAJSFDYCBP-GFCCVEGCSA-N 286.325 3.730 30 20 CHED CCc1ccc(CCSc2nnc(C)c(C)c2C#N)cc1 511846077 ZEHGGPGZKJSJIV-UHFFFAOYSA-N 297.427 3.862 30 20 CHED C=CCCCCCN(C)CCc1nc(-c2ccccc2)no1 512204704 VAESCVDMCNGNLP-UHFFFAOYSA-N 299.418 3.957 30 20 CHED C=CCOc1cccc(CN(C)C(C2CC2)C2CC2)c1 512696503 AGSHYTBCXLLRLG-UHFFFAOYSA-N 271.404 3.872 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)C(=O)NCC(C)(C)CCC#N 513141990 XHMQUBRSZYZMFC-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED Cc1cc(C)c(C#N)c(NCC(C)(C)Oc2ccccc2)n1 513753687 GTCFRXYRTRAWHK-UHFFFAOYSA-N 295.386 3.840 30 20 CHED Cc1cc(OCC(=O)C2(c3ccccc3)CC2)ccc1C#N 526997889 JBCQNFJSGQOZEX-UHFFFAOYSA-N 291.350 3.546 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CCC[C@H]1C(C)(C)C 529492444 UONYZAOVPATUHQ-OLZOCXBDSA-N 264.413 3.647 30 20 CHED CC(C)OC1CCN(CC#Cc2ccc(Cl)cc2)CC1 530699459 YGLLUDDWCAPTJQ-UHFFFAOYSA-N 291.822 3.581 30 20 CHED CN(CC#Cc1cccc(Cl)c1)c1cccc(O)c1 532707896 CIALVLYLHJZVDN-UHFFFAOYSA-N 271.747 3.534 30 20 CHED C=CCC[C@@H](NCCSCC(F)(F)F)C1CC1 537964023 CORLSWQGELCWRK-LLVKDONJSA-N 267.360 3.616 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2cccc(F)c21 538365770 DOQSTIMYIQRZDN-GFCCVEGCSA-N 276.355 3.643 30 20 CHED Cc1nnc(SC[C@@H](C)CC(C)C)c(C#N)c1C 538613231 UEMKTOXZCXEHJQ-JTQLQIEISA-N 263.410 3.739 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1C[C@@H](C)CC1(C)C 539477319 ZVCGHBLLHCLFAS-QWHCGFSZSA-N 252.402 3.561 30 20 CHED CC(C)CCCS[C@H](C)C(=O)NC1(C#N)CCCCC1 540715388 LFOUWDDJEGATEY-CQSZACIVSA-N 296.480 3.887 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)Cc1ccc(C)s1 542186236 STTKENLNIGDHMH-AAEUAGOBSA-N 280.437 3.641 30 20 CHED CCC(C)(C)OCc1cccc(N[C@H](C#N)COC)c1C 542189339 RVWNRETXBJMACP-OAHLLOKOSA-N 290.407 3.651 30 20 CHED Cc1cccc(C)c1[C@H](C)NC(=O)Cc1ccc(C#N)cc1 546158473 MCXMTZNDCSTNHR-HNNXBMFYSA-N 292.382 3.595 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)Cn1ccc2ccccc21 552550699 JFKOGUZXGYBFGO-RDJZCZTQSA-N 296.414 3.845 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1ncc(Cl)cc1Cl 557663102 QQVUWLDCKFEQKP-CABZTGNLSA-N 287.190 3.782 30 20 CHED C[C@H]1CCCC[C@H]1c1noc(Cc2c(F)cccc2C#N)n1 558325928 LTGHLTOPAWQBQF-WCQYABFASA-N 299.349 3.965 30 20 CHED C=CCOc1ccc(CNC2(COC)CCC2)cc1Cl 560072447 WLHSADRBGRLVDS-UHFFFAOYSA-N 295.810 3.564 30 20 CHED N#Cc1ccc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)s1 560956575 BJFATTCRYDJCOU-SNVBAGLBSA-N 298.358 3.565 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 562594367 BWBICHPJVXGYOL-WBVHZDCISA-N 295.386 3.519 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccsc1 563554982 KNAFSELIPHPQBW-HNNXBMFYSA-N 297.383 3.819 30 20 CHED N#CCCNc1cc(Cl)ccc1OC[C@@H]1CCCCO1 564867504 GGBGPKMPOGVCBV-ZDUSSCGKSA-N 294.782 3.613 30 20 CHED CN(Cc1ccc2ccccc2c1)[C@H]1CC[C@H](C#N)C1 568419695 JTHHPERLVFESHH-KSSFIOAISA-N 264.372 3.964 30 20 CHED C=CCn1c(C(C)C)nnc1N(C)[C@@H](C)c1cccs1 571961209 CHDJPYACHAQGTD-LBPRGKRZSA-N 290.436 3.846 30 20 CHED CCc1noc(-c2ccc(C)c(N[C@@H]3CC[C@H](C#N)C3)c2)n1 572346386 JFQXKONFIVQJRB-GXTWGEPZSA-N 296.374 3.712 30 20 CHED C=CCC[C@@H](NC[C@H](CO)c1ccccc1Cl)C1CC1 574144943 WYXHZOHZUCGVJV-RHSMWYFYSA-N 293.838 3.750 30 20 CHED N#CCC[C@H](C#N)CN[C@@H]1CCCC[C@@H]1Cc1ccccc1 577215604 BVELDHOKVLHIOV-GUDVDZBRSA-N 295.430 3.821 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H]1C[C@H](C)O[C@H](C)C1 577267422 JNBUEEZOGUNBIZ-CIRFHOKZSA-N 273.420 3.719 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ncn1 578604616 WYOOSMGSGVXUNO-TZMCWYRMSA-N 298.777 3.750 30 20 CHED CSc1cccc(NC(=O)CCCCCC#N)c1 588148394 XUCIQCWHOULUFG-UHFFFAOYSA-N 262.378 3.821 30 20 CHED C=CCOc1cccc(NC(=O)Cc2cccc(C)c2)c1 588368192 QTVHSJKKIDUBOG-UHFFFAOYSA-N 281.355 3.741 30 20 CHED Cc1oc2ccccc2c1/C=C\C(=O)c1cnn(C)c1C 588397244 JCYFOHJTIJGMBP-HJWRWDBZSA-N 280.327 3.679 30 20 CHED CCc1ccc([C@@H](C)N=c2[nH]c(C#N)c(Cl)s2)cc1 590570092 USZMALUGCONOIV-SECBINFHSA-N 291.807 3.826 30 20 CHED Cc1cc(C#N)ccc1CN(C)[C@H](C)c1cccc(C#N)c1 591852983 NWRSKAOKMSETAG-OAHLLOKOSA-N 289.382 3.931 30 20 CHED COc1ccc(-c2cc(CC#N)ccc2OC(C)C)cn1 592984473 CIASMWPFRRWURL-UHFFFAOYSA-N 282.343 3.610 30 20 CHED CC1CCC(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 593967236 ODZFGBFWBMVQLJ-CSLYMUCUSA-N 298.430 3.679 30 20 CHED CC[C@](C)(OC)c1noc([C@@H](C)Cc2ccc(C#N)cc2)n1 594531443 RUAVPIWUVJENAH-SJCJKPOMSA-N 299.374 3.559 30 20 CHED CC[C@H](COc1ccc(C#N)cc1OC)CC(F)F 594879884 BJWMBFKCEGCBGC-JTQLQIEISA-N 269.291 3.627 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCCc1ccc(C#N)cc1 595056897 SFAADXXXIUKGFN-IKGGRYGDSA-N 268.404 3.515 30 20 CHED Cc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1CC#N 596647022 VGWJWOSIERFTDN-UHFFFAOYSA-N 282.362 3.929 30 20 CHED Cn1ccc2c(NC(=O)CC3(C#N)CCCCC3)cccc21 597084869 ZBZLIIPLGNQOOC-UHFFFAOYSA-N 295.386 3.981 30 20 CHED C=CCCSCCNC(=O)c1cccc(C(F)F)c1 597973262 XMGWRACRCMUJBH-UHFFFAOYSA-N 285.359 3.663 30 20 CHED C[C@@H](C#N)N(C(=O)CCc1ccc2ccccc2c1)C1CC1 598130554 DBMBMKHLPHEJTO-AWEZNQCLSA-N 292.382 3.675 30 20 CHED CCN(C(=O)c1ccc(C2=CCCC2)cc1)[C@@H](C)C#N 598363450 QBOSMCZVLIRECW-ZDUSSCGKSA-N 268.360 3.628 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)n1 598858250 KKCJNYAMZMPWCQ-YABSGUDNSA-N 285.391 3.581 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2cc(C#N)ncn2)c2ccccc21 599157467 UOOKSLQTWQEQCJ-HOTGVXAUSA-N 278.359 3.645 30 20 CHED C[C@@H]1CC(F)(F)CCN1CCCCC(C)(C)C#N 599627760 NVSKGSLUAFQQKP-GFCCVEGCSA-N 258.356 3.826 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cccc2ccsc12 600071359 ZERIWMORUWXHGJ-UHFFFAOYSA-N 286.400 3.847 30 20 CHED N#CCC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 600145934 DCHNHHVPYPPRED-UHFFFAOYSA-N 296.336 3.874 30 20 CHED CCOC(=O)[C@@H](CC)S[C@H](C#N)CCc1ccccc1 601078187 HTOUAQBLUNFCMQ-LSDHHAIUSA-N 291.416 3.586 30 20 CHED COc1cc(C)c([C@H](C)NC[C@@H](C)CCC#N)cc1OC 602516014 VDNDBQLCCQLDGH-JSGCOSHPSA-N 290.407 3.603 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1NCc1cccc(C#N)n1 602619517 WQFQACKXZYIKCL-AUUYWEPGSA-N 291.398 3.757 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2ccc(F)cc2s1 604880291 QKYXWOUFVLGMGF-SECBINFHSA-N 263.337 3.735 30 20 CHED CC[C@@H](C#N)NC(=O)c1sc2cc(F)ccc2c1Cl 608816632 UVWLQVFFTMOKRD-QMMMGPOBSA-N 296.754 3.726 30 20 CHED N#Cc1c(F)cccc1N1CCCc2sccc2C1 609333717 FERRXSLKGMCARI-UHFFFAOYSA-N 272.348 3.712 30 20 CHED C[C@H](C#N)CN(C)C(=O)N[C@@H](C)CCC1CCCCC1 609687813 UBNWFMLOAKHNAT-KGLIPLIRSA-N 279.428 3.536 30 20 CHED Cc1ccc(F)c(NC(=O)N[C@H](C)c2cccc(C#N)c2)c1 610317622 JYASWOQQXGXHCL-GFCCVEGCSA-N 297.333 3.889 30 20 CHED C[C@H](NC(=O)NC1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 610354113 VYEBCFIHCOBVNB-MCIONIFRSA-N 299.418 3.743 30 20 CHED CC(C)[C@@H]1c2ccccc2CCN1C(=O)NCCCCC#N 610795504 XPLPPQVOUVVOOM-QGZVFWFLSA-N 299.418 3.645 30 20 CHED CC[C@@H](CC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612246299 XDSGXPFJPSEPAF-MAUKXSAKSA-N 284.403 3.723 30 20 CHED Cc1cc(CSCCCCC(C)(C)C#N)nn1C 618112322 FTCGPCDSYARRNZ-UHFFFAOYSA-N 265.426 3.682 30 20 CHED Cc1cc(C)nc([S@@](=O)CCCCC(C)(C)C#N)c1 618534834 QRWQGFZZLLPRNM-IBGZPJMESA-N 278.421 3.526 30 20 CHED CC[C@@H]1CCCCN1C(=O)N[C@H]1CCc2cc(C#N)ccc21 618852488 UYIBNNLMVIMITE-WBVHZDCISA-N 297.402 3.520 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](OCC)C1CC1)c1ccccc1 626216526 WBQNDWALWPSMJZ-SJORKVTESA-N 287.403 3.625 30 20 CHED C=CCCNCc1c(Cl)cccc1N1CCCC1 657583028 ULWRCTSRSHWBSX-UHFFFAOYSA-N 264.800 3.606 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1C[C@H]2CC[C@H]1O2 658035394 MTADTLABANLYGR-OVYGPGRDSA-N 263.425 3.669 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](CC)CC(F)(F)F)C1 661025056 RNNRBMZAATVSGE-VXGBXAGGSA-N 292.345 3.715 30 20 CHED CC(=O)c1ccc(C#N)cc1N1[C@H]2CC[C@H]1CC(C)C2 664592468 GJWKKXSMNYYNBM-GJZGRUSLSA-N 268.360 3.528 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2OC)C1 665831575 GBBNEZGHICXNIO-CQSZACIVSA-N 288.391 3.824 30 20 CHED C=CCC1(NC[C@@H](CC)c2ccccc2)CCOCC1 668552690 ROMBAPLNBRCPSZ-MRXNPFEDSA-N 273.420 3.895 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](C)c1nc(C)cs1 669049007 JGDVPIDKPQCAPE-ZDUSSCGKSA-N 280.437 3.760 30 20 CHED C=CCC[C@H](CC)Nc1ccccc1OCCOC 679140862 HQVASYREERGZAN-AWEZNQCLSA-N 263.381 3.869 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 692933408 GNARNCRMUMPOQR-UHFFFAOYSA-N 287.256 3.977 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2nc(Cl)ccc2Cl)C1 703688627 DQQVWMCZUOMWQV-JTQLQIEISA-N 299.201 3.817 30 20 CHED CCC[C@@H](/N=C/c1ccccc1O)c1ccccn1 729150376 UXZPFCRMVIYKNZ-CRRKTRLDSA-N 254.333 3.748 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(C)cc2C)c1 730978255 LFIVDDFLEYXEMW-UHFFFAOYSA-N 279.339 3.568 30 20 CHED CCCCCC[C@@H](C)CC(=O)Nc1ccc(C#N)cn1 731989275 TWJVSINSZXPLFB-CYBMUJFWSA-N 273.380 3.888 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccccc2OC)cc1 733323184 MZSGCLBLAJQROK-OAHLLOKOSA-N 295.382 3.558 30 20 CHED Fc1cc(F)c(NN=C2CCc3ccccc32)cc1F 734302784 OLHAIHIJXGCXJB-UHFFFAOYSA-N 276.261 3.866 30 20 CHED Cc1ccc(-c2nc(CON=C3CCC3)cs2)o1 735490295 UOOMUBJWDIWGHL-UHFFFAOYSA-N 262.334 3.768 30 20 CHED CC(C)C(=NNc1ccnc(N(C)C)n1)C1CCCCC1 739414239 VIFOOTGGGIMECJ-UHFFFAOYSA-N 289.427 3.547 30 20 CHED Cc1ccc(C)c(C(=O)/C=C\c2cnc3ccccn23)c1 740764586 YUXICZLWHIOCHZ-HJWRWDBZSA-N 276.339 3.847 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1C[C@@]1(C)c1ccccc1 741465720 XYIFKFMIIFHANF-GUENDSEVSA-N 281.355 3.550 30 20 CHED N#Cc1ccc(COC(=O)C2CCCCCCC2)cc1 744116301 UOXLCIHRHVPDGR-UHFFFAOYSA-N 271.360 3.962 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C(/CC)c1cccc(Cl)c1 744489366 HIINWDCRMKNZCC-KUGGDMIFSA-N 290.794 3.942 30 20 CHED CCCc1ccc(C(C)=NN=C(C)c2cnccn2)cc1 745202002 QHAHOMRIISEBCR-UHFFFAOYSA-N 280.375 3.662 30 20 CHED C=CCCOC(=O)c1cc(C2CC2)nc2ccc(F)cc12 745593576 KKMDGBFDPNTDPW-UHFFFAOYSA-N 285.318 3.984 30 20 CHED c1ccc(C[C@H]2CCCC2=NOCc2cccnc2)cc1 746575631 ACNLDHYPYZOZPU-QGZVFWFLSA-N 280.371 3.997 30 20 CHED Cc1ccccc1C(=NOCc1cccnc1)C1CC1 746589064 ZIBQEPUNHDAZIE-UHFFFAOYSA-N 266.344 3.721 30 20 CHED CCCCOc1ccccc1NC(=O)C#Cc1ccccc1 747367828 HGTGVYHMSJUZRF-UHFFFAOYSA-N 293.366 3.856 30 20 CHED COc1ccc(NN=C(C)c2cc(F)c(F)c(F)c2)cc1 750920870 DCSLZNJVGGHUSL-UHFFFAOYSA-N 294.276 3.949 30 20 CHED C=C(Cl)COC(=O)CCOc1ccccc1C(C)C 751824381 AZNBHNQZSRLKQD-UHFFFAOYSA-N 282.767 3.875 30 20 CHED C#CCN(CC)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 753259355 CHRMEXPYJJHBGM-UHFFFAOYSA-N 284.281 3.501 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(OCCC(C)C)cc1 753428723 PQCGMAUUKDDYAY-AWEZNQCLSA-N 275.348 3.570 30 20 CHED C=CCc1cc(CN2CCC[C@@H]2C(C)C)c(O)c(OC)c1 754723926 XZKWSLKDFHECOO-MRXNPFEDSA-N 289.419 3.750 30 20 CHED C[C@H]1/C(=C/c2ccccc2C#N)C(=O)c2c(O)ccc(F)c21 755583215 CRBFXYRVBIOYNF-AAIQCTMTSA-N 293.297 3.786 30 20 CHED CC1(c2ccccc2)CC(=NO[C@@H]2CCCCO2)C1 755821210 QELQTZOMCFGVQY-AAFJCEBUSA-N 259.349 3.637 30 20 CHED C=C(C)[C@H](CC(=O)OCc1ccc2ncccc2c1)OCC 756542289 IUSVAAGQJHIBOB-KRWDZBQOSA-N 299.370 3.649 30 20 CHED COCCC(=NNc1ccc2ccccc2n1)C(C)C 756821009 RZDMODFBHKWOHW-UHFFFAOYSA-N 271.364 3.695 30 20 CHED C#CC[C@@H](NC(=O)N(CC)C[C@@H](C)CC)c1ccccc1 757760989 LTKKBFYYBHMCGO-DOTOQJQBSA-N 286.419 3.829 30 20 CHED C#CCCCC(=O)N[C@H](C)c1csc2ccccc12 757920121 IWHUFIWBLCBNLU-GFCCVEGCSA-N 271.385 3.882 30 20 CHED Clc1ccc2c(c1)C(=NNC1CC1)CCCS2 758132371 BGTFYEQTDDCZEE-UHFFFAOYSA-N 266.797 3.682 30 20 CHED CCOCCC1(C/N=C\c2ccccc2O)CCCC1 760209925 AKRPFXPFSMHAQA-AQTBWJFISA-N 275.392 3.798 30 20 CHED C#CCCN(Cc1cccc(Br)c1)C(C)C 760820424 PQCKLORJGPWKPY-UHFFFAOYSA-N 280.209 3.683 30 20 CHED C[C@H](C#N)Oc1ccc(CNC2CCC(F)(F)CC2)cc1 761334839 JJMSYEJQLAKSIE-GFCCVEGCSA-N 294.345 3.645 30 20 CHED C=CCOc1ccc(COC(=O)C(C)=C(C)C)cc1 763641698 HGMPKPVTBNOVPJ-UHFFFAOYSA-N 260.333 3.651 30 20 CHED Clc1ccc(CNN=Cc2csc(C3CC3)n2)cc1 764718241 KZDQCEYLPKMGQT-UHFFFAOYSA-N 291.807 3.798 30 20 CHED C[C@@H](C=NNc1ncc(Cl)cc1Cl)CCC#N 765994990 MVXIFQYMKJBLIQ-MRVPVSSYSA-N 271.151 3.726 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2cc(C)c(C)cc2C)c1 766491341 OCLIAXHOKLPMNM-WAYWQWQTSA-N 298.338 3.888 30 20 CHED Cc1ccc(F)c(C(=O)OCc2cccc(C#N)c2)c1F 766639481 QXLPPSNONNGACT-UHFFFAOYSA-N 287.265 3.502 30 20 CHED C#CCCCNc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 766723625 FVFSUFHZRYXFLT-HOTGVXAUSA-N 298.430 3.630 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc3nccn23)CCCC1(C)C 767230040 WCEVFIFMIPNVNL-OAHLLOKOSA-N 297.402 3.541 30 20 CHED Cc1ccc(NN=Cc2cncc(Br)c2)cc1 767361715 ZGRJFCSRAMBEGJ-UHFFFAOYSA-N 290.164 3.599 30 20 CHED C#CCC(C)(C)c1nc(-c2nccc3ccccc23)no1 767437231 WRTIAKLJRVKQEK-UHFFFAOYSA-N 277.327 3.586 30 20 CHED CCC(CC)NN=C1CCC(C(=O)OC(C)(C)C)CC1 768361166 CTJHKOOZIUIITL-UHFFFAOYSA-N 282.428 3.653 30 20 CHED C#CC[C@@H](NC(=O)N[C@H](C)CCC1CC1)c1ccccc1 768948574 YQDMRWJJMCMZJM-RHSMWYFYSA-N 284.403 3.629 30 20 CHED N#Cc1ccc(CNN=C2CC[C@H]2c2ccccc2)cc1 769792789 KSWZBHMPOGXURO-KRWDZBQOSA-N 275.355 3.581 30 20 CHED C#CC(C)(C)NC(=O)c1ccc(OCCCC)cc1Cl 771355166 SNJLRCGXNOKLRB-UHFFFAOYSA-N 293.794 3.661 30 20 CHED C=CCC[C@H](CCC)NC[C@@](C)(O)c1ccc(F)cc1F 772986125 ADKKDVQQOKCIFD-WMLDXEAASA-N 297.389 3.897 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1ccc([N+](=O)[O-])s1 773123079 CQOWILOCRDKZEY-LLVKDONJSA-N 281.381 3.549 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ccccc1OC(C)C 773247961 PMTFNLLMBVQQBD-OAHLLOKOSA-N 287.403 3.845 30 20 CHED C=C(CC)COC(=O)[C@H](CC)OC1CCCCC1 773536326 QXRQXGXRXAHDPU-AWEZNQCLSA-N 254.370 3.624 30 20 CHED C=CCNC(=S)N(CC)C[C@H](CC)c1ccccc1 774268841 ROJZCCRPBCPUMG-AWEZNQCLSA-N 276.449 3.563 30 20 CHED CCOCCON=C(C)c1cccc2ccccc12 774436907 MQMYSCBXNUGKTJ-UHFFFAOYSA-N 257.333 3.617 30 20 CHED Cc1nc(C2CCCCC2)sc1C(=O)OCCCC#N 775124103 YKXIHHSLBTUMML-UHFFFAOYSA-N 292.404 3.960 30 20 CHED C=CC[C@H]1N(Cc2ccc(F)nc2)CCCC1(C)C 775180561 ZZJCPDLOLYYEAA-CQSZACIVSA-N 262.372 3.787 30 20 CHED C=C(C)CCN(Cc1ccccc1)C[C@@H](O)c1ccco1 775613829 UUOHCAGLGATGDN-QGZVFWFLSA-N 285.387 3.781 30 20 CHED C=CC[C@H](N[C@H]1C[C@@H](OCC)C12CCC2)c1ccncc1 776155974 JNQPZOOJEDIZRK-YESZJQIVSA-N 286.419 3.636 30 20 CHED Cc1cccc(F)c1CN[C@H](C)c1cccc(C#N)c1 776162681 IVWZZKUTPZWHJW-CYBMUJFWSA-N 268.335 3.857 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cc(C)ccc1F 776190691 AWXRGWOKDRRGTG-ALCCZGGFSA-N 269.319 3.988 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1F 776727557 ZWQMIMRIILVGOE-BAQGIRSFSA-N 296.257 3.502 30 20 CHED CC(=NN[C@@H](Cc1ccccc1)C(C)C)c1cscn1 777448491 PHBTVDSWROHXOY-HNNXBMFYSA-N 287.432 3.724 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)Cc1ccco1)c1ccccc1 777514157 JKXSNVSEAIHNOT-WMLDXEAASA-N 283.371 3.687 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NCc1ccc(C#N)cc1 779005084 TWKZQPHNXFOLAY-LJQANCHMSA-N 278.399 3.915 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C(C)=O)c(C)c1 779945521 BPKZNBUFOOSOGO-UHFFFAOYSA-N 271.360 3.720 30 20 CHED C#CCCCCCC(=O)N(C)c1cc(Cl)ccc1C#N 779981702 QHQZSDSRHDGYHU-UHFFFAOYSA-N 288.778 3.758 30 20 CHED C#CCCCCCC(=O)N1CCC[C@@H]1CCC(C)C 779986520 PHYLZBXMRUYAQC-MRXNPFEDSA-N 263.425 3.997 30 20 CHED C[C@H]1CC(C(=O)OCCC(C)(C)C#N)C[C@H](C)C1 780237340 ZAEKLZQWQFDXAD-VXGBXAGGSA-N 251.370 3.542 30 20 CHED COc1ccc(CCC(C)=NNc2ccc(OC)cn2)cc1 780274708 HYGJMBVUDAOKLY-UHFFFAOYSA-N 299.374 3.519 30 20 CHED Fc1cc(NN=C2CC[C@H]3CCCC[C@H]3C2)ccn1 781134217 WYOJSKOYQRVZGI-NEPJUHHUSA-N 261.344 3.979 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)c1)c1nc(C2CC2)cs1 781176853 TVZFQGKTUAXFEA-JTQLQIEISA-N 298.367 3.810 30 20 CHED C#CC[C@H](OC(=O)/C=C\c1ccccc1C#N)C(C)(C)C 781557026 JYSLNTJGMDCGDR-JNSOCZORSA-N 281.355 3.553 30 20 CHED CCOc1c(Cl)cccc1C=NNC1CCCC1 782222416 XYONEGGWANVUIV-UHFFFAOYSA-N 266.772 3.605 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1cccc(Cl)c1 782443178 HKXXJTWFOYUOFL-HNNXBMFYSA-N 282.767 3.612 30 20 CHED C=CCCCCCON=CC(=O)Nc1ccc(F)cc1F 783029320 RZUCEAKFVFVYEB-UHFFFAOYSA-N 296.317 3.652 30 20 CHED Cc1ccc2cc(CN(CCC#N)CC(C)C)ccc2n1 783506252 GHZZWTQGRYIQEY-UHFFFAOYSA-N 281.403 3.915 30 20 CHED CC(C)CN(CCC#N)Cc1ccc([N+](=O)[O-])c(Cl)c1 783506925 RGEQIZCFLFAXNU-UHFFFAOYSA-N 295.770 3.620 30 20 CHED COC1CCC(=NNc2nc3ccccc3cc2C)CC1 783859072 IMWKUXGHLVRJKL-UHFFFAOYSA-N 283.375 3.900 30 20 CHED Cc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c(N)cc1F 784660043 SPWRLZZCCHWIHA-NSHDSACASA-N 298.317 3.506 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2cc(OC)ccc21 785485760 FLGMCDHCQQWIDQ-KRWDZBQOSA-N 273.376 3.577 30 20 CHED C#C[C@@H](CC)OC(=O)C[C@H](C)c1c[nH]c2ccccc12 786492291 FADHGJXPOMWYFA-STQMWFEESA-N 269.344 3.617 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(Br)ccc1O 787308014 BVSSQCAKRRQKQI-CYBMUJFWSA-N 296.208 3.695 30 20 CHED FC(F)(F)C(=NOCC[C@@H]1CCCO1)c1ccccc1 787786950 ZRGRUNSWOXDKGO-LBPRGKRZSA-N 287.281 3.539 30 20 CHED C#CCC1(OC(=O)c2csc(-c3ccoc3)n2)CCC1 788079923 LEJLBPOSQBXMFF-UHFFFAOYSA-N 287.340 3.506 30 20 CHED C#CCC1(C(=O)OCc2ccnc(Cl)c2)CCCCC1 788214263 WQMANBBJDBYJDL-UHFFFAOYSA-N 291.778 3.752 30 20 CHED C#CCC1(C(=O)N2CCc3cc(C)ccc32)CCCCC1 788237957 IVZRQZHRKMHCLA-UHFFFAOYSA-N 281.399 3.858 30 20 CHED CCN(C)c1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cn1 790216239 PMRWLEJFTDXARQ-MHWRWJLKSA-N 292.382 3.669 30 20 CHED CC(/C=C\C(=O)c1cc(C)on1)=C/c1ccccc1 791432715 PBVITGVAABMPJS-DMGFJBLZSA-N 253.301 3.825 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@](C)(O)CC1 791999532 SVOJKDQWWPLTHH-KRWDZBQOSA-N 298.471 3.684 30 20 CHED Cc1cccc(C)c1C=NNc1cccc(Cl)n1 793174085 ICMHUUMDOKMJLA-UHFFFAOYSA-N 259.740 3.798 30 20 CHED CC(C)c1cccc2c1OCCCC2=NNc1cncnc1 794976687 QQOIKTMQLCWJOY-UHFFFAOYSA-N 296.374 3.589 30 20 CHED CSc1ccc(C(C)=NNc2ncccc2F)cc1F 794984892 PAAQDMOJPQYLDM-UHFFFAOYSA-N 293.342 3.918 30 20 CHED C=CCON=C(C)c1ccc(Br)cc1F 795245709 GFXDNJKMNCWCDF-UHFFFAOYSA-N 272.117 3.515 30 20 CHED C[C@H](Oc1ccc2ccccc2c1)C(=O)OC1(C#N)CCC1 796752591 FAKNTJAKKYAEMX-ZDUSSCGKSA-N 295.338 3.597 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)[C@H](F)CC1CCCCC1 796903682 FMWQBKUQCZSIKX-CJNGLKHVSA-N 282.403 3.739 30 20 CHED C=CCCCCC[C@@H](C)NCC1CCN(C(=O)OC)CC1 797096482 INTVBNQBDTYPLS-OAHLLOKOSA-N 296.455 3.579 30 20 CHED C#Cc1cncc(C(=O)N2CCC[C@H](C)c3ccccc32)c1 798247135 XUDKBSGOJKNYAZ-AWEZNQCLSA-N 290.366 3.607 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@H](F)c1ccccc1 799442749 XIGFWGFQFNEDDK-MRXNPFEDSA-N 283.302 3.737 30 20 CHED C=CCCOCC(=O)O[C@H](C)c1ccccc1SC 800025553 VMVQVEPXJQVSHE-GFCCVEGCSA-N 280.389 3.605 30 20 CHED Cc1cc(C(=O)OCCCSCC#N)c(C)cc1Cl 805550251 SHUKHZYQZRQMAN-UHFFFAOYSA-N 297.807 3.761 30 20 CHED C=CC[C@H](CC)N[C@H]1CCc2nc(Cl)ccc21 806164544 WJKOVPYFVZNXPT-JQWIXIFHSA-N 250.773 3.667 30 20 CHED CC(CC1CCOCC1)=NNc1ccc([N+](=O)[O-])cc1C 807990499 FPXOORHMFOVANC-UHFFFAOYSA-N 291.351 3.508 30 20 CHED CC(=NN[C@@H]1CCSC1)c1ccc(C(C)C)cc1 808003629 RJLRVWPSJZPANF-OAHLLOKOSA-N 262.422 3.629 30 20 CHED CC(C)CON=Cc1cscc1C(F)(F)F 811645704 WEPFHSISVPDACP-UHFFFAOYSA-N 251.273 3.773 30 20 CHED C[C@@H]1CC(=NOC/C=C/Cl)CCN1Cc1ccccc1 811671134 AIJBSZGNXOEFOD-GFJVBFGGSA-N 292.810 3.796 30 20 CHED O=C(O)c1cccc(C=NNc2ccccc2F)c1Cl 814792403 QILLAYXGXOARKF-UHFFFAOYSA-N 292.697 3.623 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1ccc(C)nc1C 814815417 XDEAREOBRFENTI-CYBMUJFWSA-N 267.376 3.773 30 20 CHED Cc1ccc(NN=C2CCC[C@H]2C(C)(C)C#N)nc1 814831672 MJHQLAVDJOGLLG-GFCCVEGCSA-N 256.353 3.508 30 20 CHED Clc1c[nH]ccc1=NN=C1CC[C@@H](c2ccccc2)C1 814868759 HYKWVVAAQPZXPV-CYBMUJFWSA-N 285.778 3.893 30 20 CHED COCCN(C)N=C1CCCC[C@H]1C1CCCCC1 814926527 VEAYMOIVTZEFOF-HNNXBMFYSA-N 266.429 3.691 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc(C(C)C)nc1CC 815233893 VADGWMVATSMCPE-UHFFFAOYSA-N 287.403 3.860 30 20 CHED C#CCCCCNC(=O)N1CC[C@@H](c2ccccc2)C1(C)C 817777200 SNIXOPANLAJTOS-KRWDZBQOSA-N 298.430 3.768 30 20 CHED CC(C)(C)C1CCC(=CC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 819634035 WNFBPRHSXQSNBR-DLDKDUQYSA-N 288.435 3.958 30 20 CHED COC(C)(C)CC=NNc1cc(Cl)nc(Cl)c1 819828981 XLASLAZCNBBZMV-UHFFFAOYSA-N 276.167 3.601 30 20 CHED C#CC[C@H](NCC[C@H]1CC1(Cl)Cl)c1ccccc1 822818238 OHHKLUMHXOLGJA-KBPBESRZSA-N 282.214 3.925 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1SC(C)C 830175306 WPZXMSFKJVOCDT-UHFFFAOYSA-N 261.390 3.785 30 20 CHED CCn1ccnc1C(C)=NNc1ccc(C(F)(F)F)cc1 834964915 HUGPNWFVBMBOSB-UHFFFAOYSA-N 296.296 3.758 30 20 CHED Cc1ccc(C2CC(=NN[C@H](C)C(F)(F)F)C2)cc1 835002537 SYOQUAUKHBWERS-RWANSRKNSA-N 270.298 3.769 30 20 CHED C=CCC1(C(=O)OCCCc2ccncc2)CCCC1 835083915 HZVYTMBWHNDQHT-UHFFFAOYSA-N 273.376 3.694 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)C3=CC[C@@H](C)CC3)[nH]c12 835173243 PQZCKJWJRWYXCI-BXUZGUMPSA-N 293.370 3.794 30 20 CHED COc1cccc(C=NOCc2cc(C)cc(C)c2)c1OC 836718195 RWSMEXAEARGQBI-UHFFFAOYSA-N 299.370 3.871 30 20 CHED CCC(CC)[C@@H](NC(=O)C#CC1CC1)c1cccs1 837362071 XAMBBSMWPQTAIH-MRXNPFEDSA-N 275.417 3.755 30 20 CHED C=CCC1(C(=O)OCc2c(CC)noc2C)CCCC1 838279675 IWKWGWQKEJIKGH-UHFFFAOYSA-N 277.364 3.725 30 20 CHED C/C=C(/C)C(=O)Nc1scc(C(C)(C)C)c1C#N 839370677 YRDDTPMYRRAXHP-TWGQIWQCSA-N 262.378 3.822 30 20 CHED COc1cc(C)ccc1C(C)=NOCc1ccccc1 839423460 QESWHLILCUFDIU-UHFFFAOYSA-N 269.344 3.944 30 20 CHED CC1(C)CCC[C@@H](OC(=O)c2ncc(C#N)cc2Cl)C1 839442727 USASOZOMNBRXTD-LLVKDONJSA-N 292.766 3.732 30 20 CHED CSC(C)(C)CNc1cc(C(F)(F)F)cnc1C#N 840269450 XQGLNLOSYWSRCR-UHFFFAOYSA-N 289.326 3.526 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 840605218 LJXVJZURBOYJLT-JEBQAFNWSA-N 291.350 3.966 30 20 CHED C=C(CC)CNC(=S)Nc1ccc(Cl)cc1 840826215 ICMQREAVGNUOHN-UHFFFAOYSA-N 254.786 3.593 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@H](N)[C@H](C)C1 841858524 RFMFAIQCAFVEHR-CVEARBPZSA-N 297.487 3.506 30 20 CHED C=CCCSCc1ccnc(Br)c1 842175516 SZURTBLVIPNAKG-UHFFFAOYSA-N 258.184 3.653 30 20 CHED Cc1cccc2c1C/C(=C\c1ccnn1CC(C)C)C2=O 843270506 VZAKXNLPGCMZGM-NTEUORMPSA-N 280.371 3.670 30 20 CHED COCC(CC(C)(C)C)=NNc1ncccc1Cl 844576679 FOEUDCDCRSKREX-UHFFFAOYSA-N 269.776 3.586 30 20 CHED C=CCC(F)(F)C(=O)OCCc1ccc2ccccc2n1 845659607 PKLHULZHPGKDQT-UHFFFAOYSA-N 291.297 3.532 30 20 CHED C=C[C@@H](C)ONC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 846548706 GQKGUZQYHAGAKX-DWOQACPDSA-N 299.292 3.731 30 20 CHED CCCCCCCC[S@@](=O)Cc1conc1C 849222988 FUOYJDJSSVHZLR-QGZVFWFLSA-N 257.399 3.592 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C\SCc1ccco1 851209478 LNHGSCCNMVQABP-XYLWRLHESA-N 293.388 3.898 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@@H](CC=C)C1)c1ccccc1 852228642 ZJZXOWQLINHYCT-AEFFLSMTSA-N 296.414 3.749 30 20 CHED CC(C)c1ccccc1/C=C1\CCn2nccc2C1=O 853010194 WZBOGYCQXFDZIB-SDNWHVSQSA-N 266.344 3.677 30 20 CHED CC(C)[C@@H]1CC(=NNc2ccnc(Cl)c2)CS1 853395208 OYQWEJBLJCFBPN-NSHDSACASA-N 269.801 3.664 30 20 CHED C=C(Cl)CSCC(=O)Nc1ccc2c(c1)CCC2 853782813 NVJSMGKGBHIFDB-UHFFFAOYSA-N 281.808 3.600 30 20 CHED CCCC[C@@H](C(=O)OCC1(CC#N)CC1)C(C)C 856976630 QLWMSSWIYJZYAH-CYBMUJFWSA-N 251.370 3.686 30 20 CHED Cc1nnc(N[C@@H]2CCc3ccc(Cl)cc32)c(C#N)c1C 858835079 SOGQUKRYQFJDTE-OAHLLOKOSA-N 298.777 3.718 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1ccc(F)c(Cl)c1 860025529 BEBPPKQHIPZYQH-UHFFFAOYSA-N 283.730 3.505 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cccc(OC(C)C)c1 860534685 LFEZSVFQTSLDAK-UHFFFAOYSA-N 275.348 3.709 30 20 CHED C=C[C@@H](C)OC(=O)/C=C\c1ccc(SC)s1 860682228 UCNHGSCYEUYLPT-WILPJHFFSA-N 254.376 3.601 30 20 CHED COC1(C(C)=NNc2cccc(F)c2Cl)CCC1 863158430 AZUSWQITJLRZSN-UHFFFAOYSA-N 270.735 3.836 30 20 CHED C=CCn1c(SCOCCC)nnc1-c1ccccc1 863209840 QKNZYFIEZDGJSO-UHFFFAOYSA-N 289.404 3.607 30 20 CHED CCC[C@H](CC)C(=O)[C@@H](C#N)c1nc2ccccc2o1 873498358 AAAFGARUPJFFHC-NWDGAFQWSA-N 270.332 3.830 30 20 CHED N#CC1CCN(Cc2ccc(F)c3ccccc23)CC1 876653964 XAEYNRWJZPCSTL-UHFFFAOYSA-N 268.335 3.714 30 20 CHED C=CCC1(NC(=O)Nc2ccccc2C=C)CCOCC1 880200702 OVAVTFCITYEUOI-UHFFFAOYSA-N 286.375 3.576 30 20 CHED Cc1cc(C#N)nc(N[C@H]2CCCc3cn(C(C)C)nc32)c1 893112172 CXJXVBFWWVAOHD-HNNXBMFYSA-N 295.390 3.529 30 20 CHED C[C@@H]1Cc2cc(NC3CCC(C)(C#N)CC3)ccc2O1 897114826 WMVHDNMXFTZMPT-RFSCMCKOSA-N 270.376 3.894 30 20 CHED CCCCCCCC[C@H](N)c1nc([C@@H]2CCCO2)no1 900012013 PEASJYQGMOZEOC-STQMWFEESA-N 281.400 3.672 30 20 CHED C[C@]1(C=NNc2cc(F)ccc2F)CCCS1 901321319 WXEVDHHUWSDUTC-GFCCVEGCSA-N 256.321 3.648 30 20 CHED C=CCC[C@H](N[C@H]1CC[C@](C)(c2ccccc2)C1)C(=O)O 901692002 HDLSSNZPTVOOKK-BQFCYCMXSA-N 287.403 3.506 30 20 CHED C=CCC[C@@H](NC1CC(C)(C(=O)O)C1)c1ccccc1 902327448 VIYXQLCBCKTIIP-ISXOHVOVSA-N 273.376 3.537 30 20 CHED CC[C@H](N[C@@H](C)[C@@](C)(OC)C1CC1)c1cccc(C#N)c1 903019077 JRLHSFXYRYROAR-DOPJRALCSA-N 286.419 3.803 30 20 CHED CC(C)(C#N)Cc1cccc(-c2cccnc2F)c1 904741980 DGEHXIUSNSFNNZ-UHFFFAOYSA-N 254.308 3.980 30 20 CHED CC(C)c1ccc(NC(=S)N2CCC[C@H](C#N)C2)cc1 905637921 HVYSOPLNVVKSHF-CYBMUJFWSA-N 287.432 3.742 30 20 CHED CC(C)(C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 914701520 JTSPLKLBZQOIPC-WQRHYEAKSA-N 298.342 3.697 30 20 CHED N#Cc1ccc(C=NNc2ccc(Cl)cc2)cc1 916246692 ICDROAXQRPUQMZ-UHFFFAOYSA-N 255.708 3.658 30 20 CHED O=[N+]([O-])c1cccc(NN=C/C=C/c2ccccc2)c1 916269097 QYRDWKARWCBCNW-URNYPOLCSA-N 267.288 3.706 30 20 CHED Fc1ccccc1C=NNc1ncc(Cl)cc1Cl 916316968 RVXPZIUCDUJUQL-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C=C(Cl)COC(=O)C[C@@H](C)c1ccc(F)cc1 917994850 KGITULPKOMXJTH-SECBINFHSA-N 256.704 3.615 30 20 CHED C=CCCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1 918504842 PQFHCUIQBAXXFQ-UHFFFAOYSA-N 295.338 3.672 30 20 CHED COc1cc(C)cc2c1OC/C(=C/c1cccc(F)c1)C2=O 920389878 PTFQWHWMIYCLGJ-JYRVWZFOSA-N 298.313 3.801 30 20 CHED C=CCCO[C@H](C)C(=O)OCCCC1CCCCC1 921146202 NONFYGLWCLJQCS-CQSZACIVSA-N 268.397 3.871 30 20 CHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCCC(F)(F)C1 926361845 PLFIHIORXSIPIY-VXGBXAGGSA-N 258.356 3.730 30 20 CHED CCC(CC)(C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 928222466 WCBQNDCZMZVNNX-OAHLLOKOSA-N 284.403 3.507 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N1CCC[C@@H](C#N)C1 928223221 YMPSYFUPAKDNOV-SRXBQZRASA-N 288.778 3.505 30 20 CHED CCN1CC[C@H](N(C)CCCCC2(C#N)CCC2)C[C@H]1C 929779756 IJTQFSTXHDRZSE-SJORKVTESA-N 291.483 3.655 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(C2CC2)cs1 930483186 USGVPQQSNZVJQT-SECBINFHSA-N 250.367 3.561 30 20 CHED Cc1cc(Cl)c(NC(=O)N2CCC[C@@H](C#N)C2)cc1C 931598903 OLGAVTIUXMFPNY-LBPRGKRZSA-N 291.782 3.724 30 20 CHED C=C1CCN(C(=O)Nc2cccc(OC(C)C)c2)CC1 931637089 HCNVXHDODPAVGJ-UHFFFAOYSA-N 274.364 3.658 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](CCC#N)c1ccccc1 935027961 VLDNLLRUQZWLFK-GDBMZVCRSA-N 270.376 3.750 30 20 CHED C=CC[C@H]1N(C(=O)c2cc3cnccc3[nH]2)CCCC1(C)C 935674618 HFGIVKPLKDRWMH-MRXNPFEDSA-N 297.402 3.770 30 20 CHED C[C@@H](COc1ccccc1F)N[C@@H](C)c1cccc(C#N)c1 1116488341 PSDSLOCUFYPARL-KBPBESRZSA-N 298.361 3.815 30 20 CHED Cc1cc(Cl)c(C(=O)N[C@@H](C#N)C2CCCC2)cc1C 1119506709 QZMZJFOUFXHWBR-HNNXBMFYSA-N 290.794 3.769 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@H]2C(C)(C)C)cc1 1120765640 MXSIOVSVCUDRKK-HNNXBMFYSA-N 284.403 3.748 30 20 CHED CC1=C(C)C[C@@H](C(=O)O[C@H](CC#N)c2ccco2)CC1 1123368064 DBQTXWLSPMWIQE-DZGCQCFKSA-N 273.332 3.914 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 1132219621 NBSUCBZFWACBJO-IUODEOHRSA-N 274.339 3.852 30 20 CHED N#Cc1cccc(Br)c1NCCC1CCC1 1164054033 AJSUKOABEPVSIK-UHFFFAOYSA-N 279.181 3.923 30 20 CHED N#Cc1ccnc(CN2CCC[C@@H]2CC2CCCCC2)c1 1167255090 CNQLNBVABWAJEH-GOSISDBHSA-N 283.419 3.888 30 20 CHED CC(C)(C)C1CCN(CCc2ccc(C#N)cc2)CC1 1208920313 DRPLXGWWJSPOTO-UHFFFAOYSA-N 270.420 3.859 30 20 CHED Cc1ccc(C)c2c1OC/C(=C/c1cnn(C(C)C)c1)C2=O 1251798449 BLUZKHOXBMGUKG-CHHVJCJISA-N 296.370 3.740 30 20 CHED C=CCSCCNC(=O)Nc1c(C)cc(Cl)cc1C 1254409503 HJFLKWLJRAKZNH-UHFFFAOYSA-N 298.839 3.998 30 20 CHED CCN(C(=O)/C=C(/C)c1ccccc1Cl)[C@@H](C)C#N 1261755430 FDCFTBVJFPWJKX-MMRAYRKESA-N 276.767 3.504 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc2c(C)cccc2o1 1263483421 NIKOZACQTWPQDZ-NSHDSACASA-N 257.289 3.590 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1cccc(C(C)=O)c1 1263630140 BYMVGHVDABLDLN-INIZCTEOSA-N 286.375 3.852 30 20 CHED CCCC1CCC(NC(=O)c2ccc(C)c(C#N)c2)CC1 1264791191 GHRLHMGSAAMRCB-UHFFFAOYSA-N 284.403 3.955 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)c(C(C)C)n1 1274875528 KHRPNVZGBCAHCO-UHFFFAOYSA-N 297.333 3.777 30 20 CHED CCC(=O)c1ccccc1NC(=O)c1cccc(C#N)c1C 1287520853 VVONRSPFCTULQN-UHFFFAOYSA-N 292.338 3.712 30 20 CHED C=C(Cl)CN(CCOC)Cc1ccc(C)c(C)c1 1308083250 RFDAVXIRPIENSN-UHFFFAOYSA-N 267.800 3.504 30 20 CHED C=CC[C@@H](C)NC(=O)C(F)(F)c1ccc(Cl)cc1 1318893211 NWOFPCCSGDEJTL-SECBINFHSA-N 273.710 3.513 30 20 CHED CCc1cccnc1[C@@H](C)Nc1ccc(OCC#N)cc1 1320789310 NOUPCMWGIJKUAQ-CYBMUJFWSA-N 281.359 3.719 30 20 CHED C#C[C@@H](C)N(C)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 1320929310 AICCSBCDZYGASJ-OAHLLOKOSA-N 283.415 3.712 30 20 CHED N#Cc1ccc(-c2nnc(-c3cccc(F)c3F)o2)cc1 1322255234 APAGMFUZURSGFW-UHFFFAOYSA-N 283.237 3.553 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2ccc(C)c(C#N)c2)c(C)o1 1322616923 PZJKGBAMQDPVFV-GFCCVEGCSA-N 282.343 3.568 30 20 CHED C=C(C)CCNc1ccc(-c2ccccc2OC)nn1 1336664818 GFPGYPKOTYDXHM-UHFFFAOYSA-N 269.348 3.530 30 20 CHED C=C(C)CCC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 1337379923 YJOZQUFAGUKEGY-HNNXBMFYSA-N 285.387 3.905 30 20 CHED C=CCCCCC[C@H](C)NCCC1CCOCC1 1340778523 PBKYQRJHDFUXBE-HNNXBMFYSA-N 253.430 3.918 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(C)nc1Cl 1340965991 NETAAOPWUBWKEL-JTQLQIEISA-N 252.745 3.584 30 20 CHED N#CC[C@@H](OC(=O)CCCC(F)(F)F)c1ccco1 1344936377 KVCWPMHPNJUKCC-SNVBAGLBSA-N 275.226 3.510 30 20 CHED CCO[C@@H](C(=O)O[C@H](CC#N)c1ccco1)c1ccccc1 1346719939 IRZBLFFURFTHQY-HZPDHXFCSA-N 299.326 3.555 30 20 CHED Cc1cccc(C2(C(=O)N(C)[C@H](C)CC#N)CCCC2)c1 1350037555 NOGFIGZIUMIDIA-OAHLLOKOSA-N 284.403 3.567 30 20 CHED C=CCC[C@H]1CCCN1C(=O)N[C@H](C)c1ncccc1C 1355520127 LUNUNXKSGHCHJN-CABCVRRESA-N 287.407 3.591 30 20 CHED COc1cccc(COC(=O)c2ccc(C)c(C#N)c2)c1C 1437660025 SRTDJSYGWHERHL-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)Cc1cc(Cl)cc(Cl)c1 1439679284 KAQALIVSLQAMTQ-ZDUSSCGKSA-N 299.201 3.687 30 20 CHED Cc1nsc(Oc2cccc3c2CCCC3)c1C#N 1458218117 GNEGMVKUGLQNKF-UHFFFAOYSA-N 270.357 3.994 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1C(C)(C)C1(C)C 1459548088 QOCMRNXCUMUUHQ-CYBMUJFWSA-N 298.430 3.535 30 20 CHED C[C@@H]1C[C@@H](CC(=O)NCC(C)(C)CC#N)CC(C)(C)C1 1460810324 PHPQIHVJNQDOPH-KGLIPLIRSA-N 278.440 3.895 30 20 CHED C=C(C)Cn1c([C@@H](C)SC)nnc1N(C)[C@@H](C)C1CC1 1515739670 JZDGBUQFYMSYPM-NWDGAFQWSA-N 294.468 3.513 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCc3cc(F)ccc32)cc1 1524845592 VBQLLXREBIQDIT-INIZCTEOSA-N 281.286 3.542 30 20 CHED CCc1cccc(NC(=O)c2ccccc2CC#N)c1 1538503911 BZCPBJQUUXPFFF-UHFFFAOYSA-N 264.328 3.567 30 20 CHED C[C@@H](Sc1ccc(C#N)cc1)C(=O)c1ccccc1 1559361898 NPLZSVDPQCUGRM-GFCCVEGCSA-N 267.353 3.922 30 20 CHED COc1ccc(C#N)cc1NC[C@H]1CCCC[C@@H]1C 1560497693 BBMZTSADHKEFAU-GXTWGEPZSA-N 258.365 3.805 30 20 CHED N#Cc1c(CN(C2CCCCC2)C2CC2)cccc1C(=O)O 1610623065 ITKLOWSAHFPGDU-UHFFFAOYSA-N 298.386 3.554 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N1CCC2(CCCC2)C1 1629922375 QHTXDGFLPCIESI-QGZVFWFLSA-N 296.414 3.552 30 20 CHED N#Cc1cn(CC2CCCCCC2)c(=O)c2ccccc12 1641295775 UTCLEYRJCSXYOC-UHFFFAOYSA-N 280.371 3.844 30 20 CHED Cc1nc(C#N)cc(NCC2(c3ccccc3)CCCC2)n1 1651339456 XIAFJMGOJQEZOX-UHFFFAOYSA-N 292.386 3.581 30 20 CHED COc1c(Oc2cc(C#N)nc(C)n2)ccc2ccccc12 1651864257 PTOCLSHRSAURSN-UHFFFAOYSA-N 291.310 3.611 30 20 CHED Cc1ccc(F)cc1CN1CCc2ccc(C#N)cc21 1653166771 JOTDQXXJINEECP-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CCC1(CC)CCCN(CCOc2cccc(C#N)c2)C1 1654233704 ZWJOZVNLJVGJME-UHFFFAOYSA-N 286.419 3.839 30 20 CHED CO[C@]1(C)C[C@H](NCc2ccc(Cl)cc2C#N)C1(C)C 1654484029 AEPVWQYYJFPVFM-GOEBONIOSA-N 292.810 3.505 30 20 CHED Cc1cc(N[C@@H]2CCC[C@@H](C(C)C)C2)ncc1C#N 1655112344 XDVMZQIVSOJEIO-UKRRQHHQSA-N 257.381 3.888 30 20 CHED C[C@H]1CCC(F)(F)CCC1=NNc1ccccc1C(=O)O 1776031946 GCDXLAWVBXHJBA-JTQLQIEISA-N 296.317 3.998 30 20 CHED Cc1ccsc1C(=O)/C=C\c1ccc(/C=C/C(=O)O)o1 1777477221 KFPNLKISGBWVMC-XGXWUAJZSA-N 288.324 3.643 30 20 CHED CC(C)(C)c1ccc(N/N=C2/C(=O)Nc3ccccc32)cc1 3909235 XAOBWSZZOQPTSV-UHFFFAOYSA-N 293.370 3.752 30 20 CHED COc1cccc(/C=C2\C(=O)c3c(O)ccc(F)c3[C@@H]2C)c1 7333205 MFXRGILJYYPMMM-PEHNMLCRSA-N 298.313 3.923 30 20 CHED COc1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)cc1 39842277 RSSHFECCGUGPMU-NVNXTCNLSA-N 286.714 3.965 30 20 CHED CC(C)N(CCC#N)C(=O)Nc1ccccc1C(F)(F)F 42530517 YHVLOOHQSLNDNQ-UHFFFAOYSA-N 299.296 3.861 30 20 CHED CC(C)C[C@H](NC(=O)N(C)C[C@H](C)C#N)c1ccccc1 43716083 JSUSJIAKAIOJFK-ZBFHGGJFSA-N 287.407 3.575 30 20 CHED C=CCn1c(C)nnc1SCc1cc(C)cc(C)c1 47822155 MIKJYUZBDFMBML-UHFFFAOYSA-N 273.405 3.682 30 20 CHED CC[C@H](C#N)Sc1cccc(Br)c1 55307795 GEZIXYVSCKUXRN-SECBINFHSA-N 256.168 3.843 30 20 CHED Cc1c(C(=O)N(C)C[C@@H](C)C#N)oc2c(Cl)cccc12 57309473 SDPKHOKLQYUKHR-VIFPVBQESA-N 290.750 3.626 30 20 CHED C[C@@H](c1ccccc1)N(C)Cc1ccccc1C#N 61801488 SSEWFJFPRPTRDL-AWEZNQCLSA-N 250.345 3.751 30 20 CHED C[C@H](NCc1ccsc1)c1ccc(OCC#N)cc1 63152418 FCLCYJQBIDABCU-LBPRGKRZSA-N 272.373 3.501 30 20 CHED N#Cc1nc(N2CCC(c3ccccc3)CC2)ccc1Cl 67349194 ANKUVMZIDFGQPI-UHFFFAOYSA-N 297.789 3.991 30 20 CHED C[C@H](C1CC1)N(Cc1cn2ccccc2c1C#N)C1CC1 75683820 VCMWVCIITOPHJF-CYBMUJFWSA-N 279.387 3.574 30 20 CHED C[C@@H](NC(=O)CCC(C)(C)C)c1ccc(C#N)cc1 78058575 YTAOYVIASJJQPV-GFCCVEGCSA-N 258.365 3.562 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(F)c2Cl)C1 80335052 DKUZGODAZZSJKC-BONVTDFDSA-N 294.757 3.681 30 20 CHED CC(C)Oc1ccc(CN(CCC#N)CC2CC2)cc1 81515226 UKIWVCTZQJETRL-UHFFFAOYSA-N 272.392 3.599 30 20 CHED C[C@@H]1CC(NCc2ccc(C#N)cc2F)C[C@@H](C)C1 84975397 XUILVQOFPHTPSZ-RYUDHWBXSA-N 260.356 3.612 30 20 CHED Cc1occc1CN(C)Cc1ccc(O[C@@H](C)C#N)cc1 92438574 HULHVQZOCLKDND-ZDUSSCGKSA-N 284.359 3.511 30 20 CHED C=CCCCS[C@@H](C)C(=O)Nc1ccc(F)cc1F 117944551 TUEKBZYJNKPHEQ-JTQLQIEISA-N 285.359 3.991 30 20 CHED C[C@H](Sc1nnc2n1CCCCC2)c1ccc(C#N)cc1 118172245 NSUOGANGRGVDLE-LBPRGKRZSA-N 298.415 3.729 30 20 CHED CSc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)cn1 119382763 WKIFMKCXKUSWBL-LBPRGKRZSA-N 299.399 3.706 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 120227596 ZVZDIJAXEWSYHZ-STQMWFEESA-N 292.810 3.527 30 20 CHED CCn1c(-c2ccc3c(c2)CCO3)nc2cc(C#N)ccc21 122961816 JITPEVLXAOWRLN-UHFFFAOYSA-N 289.338 3.530 30 20 CHED COc1ccc2ccccc2c1CN1CCC(C#N)CC1 123673082 UWQRRSGQRVAONC-UHFFFAOYSA-N 280.371 3.584 30 20 CHED Cc1ccc(SCc2cc(F)ccc2C#N)nc1 125115275 UFQQUMCDPFYBLG-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccc(F)cc1)C1CCC1 127140169 SVOFUFKORUHQKZ-IAGOWNOFSA-N 277.383 3.584 30 20 CHED C#CCCOc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 127407665 CQVYUFLFFDFWQS-IBGZPJMESA-N 294.398 3.754 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)C1CCC1 127806160 RLBXFGRVYKMNBQ-ZDUSSCGKSA-N 290.382 3.712 30 20 CHED CC(C)(C)c1cccc(Oc2nccc(C#N)c2[N+](=O)[O-])c1 132472217 IDSBXOUIWKBTDH-UHFFFAOYSA-N 297.314 3.951 30 20 CHED CC(C)N(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 134971979 GHCGWLHCJQBURH-GFCCVEGCSA-N 291.420 3.810 30 20 CHED Cc1cc(F)cc2c(NC[C@@]3(C)CCCO3)c(C#N)cnc12 152566277 XLSPWXXJWZVHNX-QGZVFWFLSA-N 299.349 3.535 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](C#N)C(C)(C)C 155280127 IJCKIAIRLXRRII-FZMZJTMJSA-N 292.810 3.573 30 20 CHED C=C[C@H](CC(=O)Nc1nnc(C2CC2)s1)c1ccccc1 155635735 LBTJNMXWGRVJBF-LLVKDONJSA-N 299.399 3.714 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(Cl)nc1 156818648 ORMOVYYEELLHKB-UHFFFAOYSA-N 266.772 3.553 30 20 CHED CC(C)(CCC#N)CNCC1(Cc2ccccc2)CC1 158889871 CHOXCBFFYNKTLK-UHFFFAOYSA-N 270.420 3.929 30 20 CHED CCOc1ccccc1N(C)CCCC(C)(C)C#N 159305298 COWJQDKYDQZTCO-UHFFFAOYSA-N 260.381 3.851 30 20 CHED C=CCNC(=O)[C@H](C)S[C@H](CC)c1ccc(F)cc1F 161365702 KNHFRGICUAQATK-IINYFYTJSA-N 299.386 3.840 30 20 CHED Cc1ccc(C#N)c(NC[C@@H](C)Cc2cccs2)n1 161573863 RFYBAOFPFGTLEG-NSHDSACASA-N 271.389 3.614 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)O[C@@H](C#N)C(C)C 166077084 DHEJJNQFVIFQQT-ZHZWZMEUSA-N 277.751 3.835 30 20 CHED N#Cc1cccc(NC[C@@H]2CCOc3ccccc32)c1 166377406 RGXIBQIBRCHRTH-AWEZNQCLSA-N 264.328 3.536 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](C)CCCO)cc1 168307798 NCOFHAXNQBLQSS-KGLIPLIRSA-N 297.826 3.630 30 20 CHED N#Cc1ccc(CSc2ccccc2C#N)c(F)c1 172681063 WOTGKDJWJJGKRF-UHFFFAOYSA-N 268.316 3.861 30 20 CHED CCOC(=O)[C@H](Sc1ccccc1C#N)c1ccccc1 173718833 BLGRKMMKLPYVLI-MRXNPFEDSA-N 297.379 3.955 30 20 CHED C=CC1CCN(C(=O)[C@H](C)CCOc2ccccc2)CC1 174305747 MBLVLCPBMREFMO-OAHLLOKOSA-N 287.403 3.516 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NCc1ccc(C#N)o1 174310362 HKXPGKJPBFBSKL-AWEZNQCLSA-N 282.387 3.997 30 20 CHED CCN(Cc1cc(C#N)ccc1F)[C@@H](C)c1cccc(O)c1 174613810 MLCGOXZMHWKFCF-ZDUSSCGKSA-N 298.361 3.986 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)c(F)c1 175008070 KFILSFJQQVAZTR-KRWDZBQOSA-N 284.309 3.614 30 20 CHED Cc1cccc(CC(=O)O[C@H](C)c2ccc(C#N)cc2)c1 175794317 GORJYFOLCONQHL-CQSZACIVSA-N 279.339 3.714 30 20 CHED C=CCCCC(=O)Nc1ccc(-c2nnc(CC)o2)cc1 176103474 OYKLSLRLJGJJTR-UHFFFAOYSA-N 285.347 3.594 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)N(C)CCC#N 176560710 JXOCLHGEXJWWOU-UHFFFAOYSA-N 297.811 3.829 30 20 CHED N#C[C@H](NC(=O)CCC1CCC1)c1ccccc1Cl 176680283 MTPKYLYLHKYYIC-AWEZNQCLSA-N 276.767 3.601 30 20 CHED CCCCCCC[S@@](=O)Cc1ccn(C(C)C)n1 178055423 SCUMMHFGXDXLSU-GOSISDBHSA-N 270.442 3.683 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C1CCCC1 178567257 CRYBXUMPLYZIFI-LBPRGKRZSA-N 271.364 3.567 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)OCCCC#N 179207768 RDPPHXCFCUSWLT-LUAWRHEFSA-N 263.724 3.590 30 20 CHED CN(Cc1ccc(C#N)s1)[C@H]1CCc2ccccc21 179908012 AHMVWUVIJQVICB-INIZCTEOSA-N 268.385 3.739 30 20 CHED C=C(C)CN(C)C(=O)CCC(C)(C)c1ccccc1 180384439 QBEYNPMPASMMKA-UHFFFAOYSA-N 259.393 3.779 30 20 CHED C=CCSCCN[C@@H](C)c1ccccc1OC(F)F 180454507 FPSDSMOHVBZSKW-NSHDSACASA-N 287.375 3.858 30 20 CHED C#CCSCCN[C@H](C)c1sc(C(C)(C)C)nc1C 181099615 VKPJXPKBUXLEAT-LLVKDONJSA-N 296.505 3.766 30 20 CHED C=CCCOCCN[C@@H](C)c1cc2cccc(OC)c2o1 182079863 JTTWCFQZMIQQIX-ZDUSSCGKSA-N 289.375 3.685 30 20 CHED CC[C@@H](NCc1ccccc1C(C)(C)C#N)[C@@H]1CCCO1 182382252 FKSKBTKXYYVQCN-SJORKVTESA-N 286.419 3.535 30 20 CHED C[C@H](c1nc2ccccc2s1)N(C)CCCC#N 184265444 MUUDBWOFWNRPIV-LLVKDONJSA-N 259.378 3.593 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(C)cn1 184317259 WPAVFDYZEOLRMQ-UHFFFAOYSA-N 261.369 3.600 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(CC#N)cc1 184626389 FYNCQVMYVRBSIV-OCCSQVGLSA-N 256.349 3.517 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(C)c(Cl)cc1OC 184892393 JHWXWSOHLYXTFD-UHFFFAOYSA-N 279.767 3.645 30 20 CHED CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@@H](CCC#N)c1ccccc1 184978769 RVKFRBXPKQETMZ-BHYGNILZSA-N 299.418 3.861 30 20 CHED C#CCC(C)(C)C(=O)Nc1cccc(COCC2CC2)c1 185275891 FAPRPMLLSZQUCJ-UHFFFAOYSA-N 285.387 3.601 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H]1CCC[C@@H]1C 185939092 GVSXYIABRUUEBK-GJZGRUSLSA-N 264.413 3.601 30 20 CHED C=CCC[C@@H](C(=O)NCc1cncc(C)c1)c1ccccc1 187373409 QPBHBDGYGDJFQD-GOSISDBHSA-N 294.398 3.756 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCOC2(CCCCC2)C1 187701768 LSKQWFAPHZFRAJ-HNNXBMFYSA-N 284.403 3.654 30 20 CHED C=CC[C@@H](C(=O)Nc1cc(C)ns1)c1ccccc1 188323088 ICXYJMNDAHFZEO-CYBMUJFWSA-N 272.373 3.750 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1cccc(F)c1F 188558592 HPNKUQCXFWMEDU-ZUZCIYMTSA-N 267.319 3.744 30 20 CHED C[C@@H](SCCCc1cn[nH]c1)c1cccc(C#N)c1 190903815 CTIIVNZQTRDZBQ-GFCCVEGCSA-N 271.389 3.708 30 20 CHED C=Cc1ccc(C(=O)Nc2cc(C#N)ccc2OCC)cc1 191961778 PFTBSIWPNVLVGO-UHFFFAOYSA-N 292.338 3.852 30 20 CHED C=CCN(CC=C)C(=O)C1(Cc2cccc(F)c2)CCC1 193122100 LOJXPWJCHAEHLO-UHFFFAOYSA-N 287.378 3.739 30 20 CHED O=C(Cc1ccc2ccccc2c1)NCC#Cc1ccccc1 198886469 RCQPUHXRGQGKQY-UHFFFAOYSA-N 299.373 3.550 30 20 CHED CC(C)CC[C@H](C)Nc1nccc(C#N)c1Cl 232583598 PTFMKBWJUNYGIQ-JTQLQIEISA-N 251.761 3.843 30 20 CHED C[C@H](C#N)Oc1ccc(CN(C2CC2)[C@H](C)C2CC2)cc1 245542567 QBBISBATMWCQJN-ZIAGYGMSSA-N 284.403 3.740 30 20 CHED Cc1cccc(-n2ccnc2SCCCC#N)c1 248091735 HEPLWSZQVRNTDB-UHFFFAOYSA-N 257.362 3.577 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccccc2F)c1 254944239 SZYXFOQOCFAZGF-KTKRTIGZSA-N 270.303 3.868 30 20 CHED N#CCOc1ccc(CN[C@@H]2CCc3c(F)cccc32)cc1 267093683 XTLQXNPDTDELJD-GOSISDBHSA-N 296.345 3.505 30 20 CHED C=CCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)C1CC1 271320182 AOGRRGFOCPTNAE-UHFFFAOYSA-N 287.256 3.635 30 20 CHED C[C@H](O)c1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 271938456 NVOHSYWFEBAQAV-OLZOCXBDSA-N 298.361 3.601 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1CCC(C)(C)C#N 271953802 BPOJYCUJVGOADA-HOCLYGCPSA-N 256.393 3.804 30 20 CHED C=CCC(CC=C)c1nc(-c2cncc(C)c2)no1 273700475 KUBDHTYEIVPGGF-UHFFFAOYSA-N 255.321 3.676 30 20 CHED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC#N 274149363 FPRRXYFADHFWQD-UHFFFAOYSA-N 285.174 3.644 30 20 CHED Cc1cc(O)c(C(C)C)cc1NC(=O)CC(C)(C)C#N 278698137 BCYMVINBSOZCRH-UHFFFAOYSA-N 274.364 3.702 30 20 CHED CC[C@@H](CC#N)NCc1ccc(N(C)C)cc1C(F)(F)F 279980014 QZMIUAFMMARGMX-LBPRGKRZSA-N 299.340 3.553 30 20 CHED CN(CCCC1(C#N)CCOCC1)[C@@H]1CCc2ccccc21 281882365 DDGZRDRIXBXWQF-GOSISDBHSA-N 298.430 3.706 30 20 CHED C=C[C@@H](CC(=O)NCCCSCC)c1ccccc1 282674442 NVQGVNQKVJAUIX-AWEZNQCLSA-N 277.433 3.606 30 20 CHED C=CCC[C@H](NC[C@@H](O)c1ccc(C)o1)c1ccco1 285898005 CPJBAFVZZJFHFD-UONOGXRCSA-N 275.348 3.512 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)CSc1ccc(C)cc1 286098504 OMFAQHQMFNENDA-CJNGLKHVSA-N 290.432 3.532 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 286544645 QZFUPVUJXBFLDA-QMTHXVAHSA-N 298.308 3.822 30 20 CHED C=C1CCN(C(=O)c2ccc(C(C)C)nc2CC)CC1 292953198 ARJHPOKCQSDZRR-UHFFFAOYSA-N 272.392 3.560 30 20 CHED N#CCCCCN1CCCc2c(OC(F)F)cccc21 293136493 SNRWASIIKFWHPS-UHFFFAOYSA-N 280.318 3.734 30 20 CHED Cc1c(C#N)c(NC2CC(F)(F)C2)nc2ccccc12 295074086 QNHDNVGPQNDAGM-UHFFFAOYSA-N 273.286 3.625 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(CC#N)cc2)[C@@H]2CCC[C@@H]21 296486217 XTNIPXUZCDDELN-JKSUJKDBSA-N 297.402 3.795 30 20 CHED N#CCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 299002018 QKHJKSUMRFIVDG-INIZCTEOSA-N 285.778 3.522 30 20 CHED CS[C@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)n2)C1 301299151 UALCEGBTSHUDLK-ZJUUUORDSA-N 281.812 3.693 30 20 CHED Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ncccc1C#N 301567855 WAIWUUZWUZVTHV-UHFFFAOYSA-N 289.678 3.616 30 20 CHED N#Cc1cccc(Nc2ccc(Nc3ccccc3)nc2)n1 301849975 OUNRPDRZSHNHBG-UHFFFAOYSA-N 287.326 3.835 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1C[C@H]1c1ccc(F)cc1 302871555 ZHAILRMHZBNLSO-GXSJLCMTSA-N 293.754 3.775 30 20 CHED C=CCNCc1cc(C(F)(F)F)ccc1Br 309548929 FFMHLSBFSDTSFE-UHFFFAOYSA-N 294.114 3.744 30 20 CHED Cc1nc(N(C)Cc2cccs2)c(Cl)cc1C#N 311090468 IATDLRVWFIOWRR-UHFFFAOYSA-N 277.780 3.613 30 20 CHED CCN(CCO[C@H](C)C#N)c1cccc2ccccc12 312253145 CRXKZTCVOSCQFQ-CQSZACIVSA-N 268.360 3.595 30 20 CHED COc1cc(CNc2cccc(C)c2F)ccc1C#N 312349034 FETPMNCQKWVIOC-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC[C@@H](CC#N)NCc1cc(Cl)sc1Cl 312598507 JCRXLSDHIDGTLK-QMMMGPOBSA-N 263.193 3.837 30 20 CHED N#Cc1cc(CSC2(CO)CCCCC2)ccc1F 313115509 IESWGROPMVPOGU-UHFFFAOYSA-N 279.380 3.626 30 20 CHED C=CCC(C)(C)CNCc1cc(O)ccc1Br 315276486 SXOYLUYUXQLDMP-UHFFFAOYSA-N 298.224 3.847 30 20 CHED Cc1cc2c[nH]nc2cc1N=C(O)[C@@H]1CCCSC1 329571058 MPDOCJAUPHFLBK-SNVBAGLBSA-N 275.377 3.603 30 20 CHED Cc1nc2cc(/C(O)=N/C[C@@H]3C[C@H]4CC[C@H]3C4)ccc2o1 329932656 BCFTWFJYYNXTLA-OBJOEFQTSA-N 284.359 3.877 30 20 CHED Cc1ccc(N=C(O)c2oc(CC3CC3)nc2C)c(C)n1 330002422 BAYIUIWCKYVSDW-UHFFFAOYSA-N 285.347 3.584 30 20 CHED Cc1coc2ccc(N=C(O)[C@@]3(C)CCOC3)cc12 330109913 PVLREIVZSYUVQT-HNNXBMFYSA-N 259.305 3.756 30 20 CHED Cc1cc(N/C(O)=N/C2(CO)CCCC2)cc(C)c1Cl 331260362 AUIZNHFRWWCYID-UHFFFAOYSA-N 296.798 3.588 30 20 CHED Cc1ccc([N+](=O)[O-])cc1/C(O)=N/[C@@]1(C)CC=CCC1 331361685 ZJQUVYMVGBWWCR-HNNXBMFYSA-N 274.320 3.707 30 20 CHED Cc1nc(-c2nc([C@@H]3CCCC[C@H]3C)no2)ccc1C#N 331628234 HOVBIFKBWBXOQA-ZWNOBZJWSA-N 282.347 3.605 30 20 CHED Cc1cc2n[nH]cc2cc1NC1CCC(C)(C#N)CC1 332607601 JSUPTTBEMBCULH-UHFFFAOYSA-N 268.364 3.756 30 20 CHED N#C[C@@H]1CC[C@H](N2CC=C(c3c(F)cccc3F)CC2)C1 334320320 ZOEWQNZOBDZJLC-OCCSQVGLSA-N 288.341 3.746 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1ccccc1CC#N 335132825 AALUKYJZSDOLEV-ZDUSSCGKSA-N 256.349 3.517 30 20 CHED CSc1ccc(C)c(NC(=O)c2cc(C#N)cs2)c1 335289127 AYWKBCCHRFLAMO-UHFFFAOYSA-N 288.397 3.902 30 20 CHED C[C@@H](NC(=O)c1sccc1Cl)c1ccc(C#N)cc1 335938331 LETCWDYAKPTSTA-SECBINFHSA-N 290.775 3.764 30 20 CHED Cc1cc(NC(=O)Nc2ccc(CC#N)cc2)c(C)cc1O 336547428 GNQLAXKJTNBZKD-UHFFFAOYSA-N 295.342 3.719 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@@H](C)c1ccon1 337609920 UAPHYGAAEKYBQK-LBPRGKRZSA-N 285.347 3.676 30 20 CHED Cc1nsc(N2CCC(C)(C(C)C)CC2)c1C#N 343030901 YJIGMRAJSNVYGR-UHFFFAOYSA-N 263.410 3.586 30 20 CHED N#Cc1cnccc1/C=C\c1cc(Cl)c2c(c1)OCCO2 347440424 KCGANOFDQDKJQD-UPHRSURJSA-N 298.729 3.548 30 20 CHED Cc1cc(/C=C\c2ccncc2C#N)cc2cccnc12 349103768 CTWGPMHNQGDDLG-PLNGDYQASA-N 271.323 3.980 30 20 CHED N#Cc1cnccc1/C=C/C=C/c1ccc(F)cc1F 349113159 QNZQPSDYSZOESN-ZPUQHVIOSA-N 268.266 3.958 30 20 CHED COCCN(CCCC(C)(C)C#N)Cc1cccs1 350150524 BYIKOAHECCQHDP-UHFFFAOYSA-N 280.437 3.526 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1ccn(C(C)C)c1C 352633201 LCKHYRFILKEEQP-UHFFFAOYSA-N 296.374 3.543 30 20 CHED CCc1ccc(NC(=O)N[C@H](CC)CC#N)cc1Cl 352658515 ZAADHJMXHBJWFG-LLVKDONJSA-N 279.771 3.716 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CCCC1CCCC1 353207368 UJSRLNJXSIOSSP-UHFFFAOYSA-N 285.391 3.899 30 20 CHED C=CCNC(=O)Nc1ccc(NCc2occc2C)cc1 355391728 JQIRMRQVVBBFJF-UHFFFAOYSA-N 285.347 3.508 30 20 CHED CC(C)N(CC(F)F)C(=O)C[C@H](CC#N)c1ccccc1 356483067 RGTJLENDRPOULK-AWEZNQCLSA-N 294.345 3.576 30 20 CHED CC#CCN1CCc2sc(-c3csc(C)n3)cc2C1 357616318 HJXMVZKZCZMWGR-UHFFFAOYSA-N 288.441 3.561 30 20 CHED Cc1ccccc1C[C@H]1CCCN1CCCCC#N 358964115 HQTHUIVLODYVCG-QGZVFWFLSA-N 256.393 3.696 30 20 CHED N#Cc1ccc(SCc2nc3ccccc3[nH]2)cc1 359011940 JNCKGXXEBVBYNC-UHFFFAOYSA-N 265.341 3.727 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1nc(C(C)C)c(C)s1 359678587 MLNFGBQELLKHNJ-GFCCVEGCSA-N 295.452 3.729 30 20 CHED CO[C@H](COc1c(C)cc(C#N)cc1C)c1ccccc1 379099301 GPWPFRRUHWJGGF-QGZVFWFLSA-N 281.355 3.942 30 20 CHED Cc1oc(C#N)cc1C(=O)NCC1(C)CCCCCC1 408407705 SHZHEILQDHNFFL-UHFFFAOYSA-N 274.364 3.550 30 20 CHED N#Cc1cc(F)ccc1NCC1CCC(F)(F)CC1 409668500 ZPKNZIFUODUTOK-UHFFFAOYSA-N 268.282 3.935 30 20 CHED C[C@@H](C#N)N(C)C(=O)CCCc1ccc(Cl)c(Cl)c1 410891303 SQXMMSOOFTYULS-JTQLQIEISA-N 299.201 3.687 30 20 CHED N#CCCSCc1ccc(OCc2ccccn2)cc1 413017626 ZNCNCNIKAAGBII-UHFFFAOYSA-N 284.384 3.807 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 413698377 GSCRLUYOTOAOBS-UKRRQHHQSA-N 292.810 3.804 30 20 CHED COc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)CCC2 414168505 QSNFQZSOADTPTR-INIZCTEOSA-N 272.392 3.602 30 20 CHED C[C@@H]1C[C@H](COc2ccc(C#N)c3ccccc23)CCO1 419055893 OWYZNCQROMMZCX-ZIAGYGMSSA-N 281.355 3.905 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@@H](CC(F)(F)F)C1 421939640 ASZDRXSVSCBDIX-NSHDSACASA-N 277.330 3.780 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H](CCCN)c1ccccc1 423513928 VURVHYWFSVPHTB-ZOBUZTSGSA-N 260.425 3.657 30 20 CHED C=C(C)C(C)(C)C(=O)NC1CC(C)(c2ccccc2)C1 424643919 GOSNFKBAPKBLAC-UHFFFAOYSA-N 271.404 3.825 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@H](CC(F)(F)F)C1 424894388 QNTWEPRDEGLJQO-LLVKDONJSA-N 277.330 3.780 30 20 CHED CC(C)C[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425470821 HSXXKVXIHIHCBI-KGLIPLIRSA-N 287.407 3.695 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCC[C@H](SCC)C1 426053536 XOCMHKFACBMEMC-ZNMIVQPWSA-N 296.480 3.801 30 20 CHED N#Cc1ccnc(N2CCC[C@@H]2c2ccccc2)c1Cl 429206085 SQEZZVDMTCDVCC-CQSZACIVSA-N 283.762 3.948 30 20 CHED C=C(C)CNC(=O)Nc1ncc(C2CCCCC2)s1 429563079 MFXWDVXCQYZGSF-UHFFFAOYSA-N 279.409 3.888 30 20 CHED Cc1ccc([C@@H](NCC2(CC#N)CC2)C2CCC2)o1 430725044 PRRSJWYNCULIFM-HNNXBMFYSA-N 258.365 3.713 30 20 CHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 431855532 BHXUXJPVUUZKMK-QKGCVVFFSA-N 261.409 3.530 30 20 CHED C=CCC[C@H](O)CN1CCCC[C@@H]1c1ccc(F)cc1F 432028747 YMLGYSKHDFTPOC-WMLDXEAASA-N 295.373 3.819 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1c(Cl)cccc1[N+](=O)[O-] 432147508 HIANHDAJAOZBGU-QMTHXVAHSA-N 296.754 3.641 30 20 CHED C=CCC[C@@H](NCc1ccc(OCCC)nc1)C1CC1 439000679 NHZHDJFUGHUCHE-MRXNPFEDSA-N 274.408 3.705 30 20 CHED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1OCC(F)F 442888974 IKWDJNRRHLKBHY-RYUDHWBXSA-N 280.318 3.743 30 20 CHED CCCCNC(=O)CCS[C@H](C)c1cccc(C#N)c1 443136399 BNLKFJLBAAXJDB-CYBMUJFWSA-N 290.432 3.659 30 20 CHED C[C@@H]1CCC[C@@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)C1 443522292 YKWPBNDBAIOGOX-GHMZBOCLSA-N 297.324 3.987 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 444851823 SMITWSHMPJLJTB-GFCCVEGCSA-N 289.354 3.597 30 20 CHED C=CCCCCCn1nc(-c2ccccc2F)ccc1=O 447305213 LHNUDTWMKAGVDX-UHFFFAOYSA-N 286.350 3.796 30 20 CHED CC[C@H](NCc1ccc2c(c1)COC2)c1ccc(C#N)cc1 447589686 YPRMTGFWCLXMLD-IBGZPJMESA-N 292.382 3.829 30 20 CHED C=CCCCNC(=O)NCc1ccc(C)cc1OC(C)C 447962093 JRKGAEGRNWQXJB-UHFFFAOYSA-N 290.407 3.548 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(C#N)cc1 449438750 DKUTXYJKCAFTIJ-KRWDZBQOSA-N 286.419 3.979 30 20 CHED C=CCC1(C(=O)NCCCOC2CCCC2)CCCC1 449813075 GPYJZAPJZORUGA-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C[C@@H](NC(=O)[C@]1(C#N)C[C@H]1C)c1cc(Cl)ccc1Cl 450785678 BNOWPTJPCGIAKC-NUPCCRGMSA-N 297.185 3.720 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1cc(C)ccc1OC(F)F 453380969 ZZQNLAFEZRCTLD-OLZOCXBDSA-N 299.361 3.574 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(OCC(=C)C)c1 454660477 ASSFQTONYJRYKW-UHFFFAOYSA-N 274.364 3.729 30 20 CHED C=CCC1(CNC(=O)C[C@H]2CCC[C@@H](OC)C2)CCCC1 456505002 LBWLCUPXQDQKFK-JKSUJKDBSA-N 293.451 3.834 30 20 CHED CC1CCC(CC(=O)Nc2cccc(CC#N)c2)CC1 456740385 WJVHPMQEZOJJKD-UHFFFAOYSA-N 270.376 3.908 30 20 CHED C=CCCC1(C(=O)NCC2(C3CCC3)CCC2)CC1 457164771 UKNPKMLYRLLOQX-UHFFFAOYSA-N 261.409 3.819 30 20 CHED C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)C1CCC1 457660066 MAVCCUBPZWZEHA-BBRMVZONSA-N 270.376 3.584 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCC(C)(C)CC#N 459260362 PMOPXWPHVFBTEE-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc(OC)cc1C 460375298 KLURWVMNHGTUDW-UHFFFAOYSA-N 275.392 3.822 30 20 CHED CCOc1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 461927642 VOEDNDGXFHRZII-CYBMUJFWSA-N 294.354 3.699 30 20 CHED CCCC(C#N)(CCC)NC(=O)CCc1ccc(C)s1 464277919 XFFFRBLCSMNEKX-UHFFFAOYSA-N 292.448 3.968 30 20 CHED CC#CCCCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 464645566 VHQDOWNWIDBZOU-PBHICJAKSA-N 261.409 3.607 30 20 CHED C=C[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C 466831945 OVSTYSXERJEXHK-DZKIICNBSA-N 272.392 3.539 30 20 CHED C=CCCCCNC(=O)[C@@H](C)SCc1ccccc1 471674996 ZDEIMZGFUZWNDT-CQSZACIVSA-N 277.433 3.781 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 474570599 QLACPXREBMTNSI-JKSUJKDBSA-N 286.419 3.767 30 20 CHED COC1(CSc2ccc(C#N)cc2F)CCCC1 478729994 IQWVTCLDERJXHS-UHFFFAOYSA-N 265.353 3.749 30 20 CHED C=CCC[C@H](O)CN[C@@H]1CCCC[C@H]1Cc1ccccc1 481184478 CIXCZTWUXNGXQV-GBESFXJTSA-N 287.447 3.705 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCC[C@@H]2C(C)C)CC1 482642711 PQCBSTNOYURVHE-MSOLQXFVSA-N 278.484 3.831 30 20 CHED N#Cc1ccc(C(=O)Nc2cccc3c2CCCC3)s1 486638036 QPWHTKHHZHEZQA-UHFFFAOYSA-N 282.368 3.751 30 20 CHED Cc1cc(CN2CCC(OC3CCCC3)CC2)ccc1C#N 487883953 SZMJNLRJXRMYSR-UHFFFAOYSA-N 298.430 3.790 30 20 CHED Cc1ccccc1[C@H]1CCCN1c1ccc(C#N)c(C)n1 488062350 GFCNBOBBTUQGRF-QGZVFWFLSA-N 277.371 3.912 30 20 CHED COc1ccccc1[C@@H]1CCCN1c1ccc(C#N)c(C)n1 488126746 NRLXEMCJWOIDBT-INIZCTEOSA-N 293.370 3.612 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1F 488834067 WTOYFHMSSWOSMJ-SECBINFHSA-N 285.721 3.799 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc2c1CCC2 489966133 NYUSZVODQDHEEE-UHFFFAOYSA-N 257.377 3.507 30 20 CHED C=CCN(CCCOC(C)C)CCc1ccccc1 491055113 FKHICXPTZORBJB-UHFFFAOYSA-N 261.409 3.532 30 20 CHED N#CCC[C@@H](NC(=O)/C=C/C1CCCC1)c1ccccc1 493788429 MSCDRSFPTXMNNR-GZKZCVOOSA-N 282.387 3.894 30 20 CHED CC1(C)Cc2cc(/C=C/c3ccncc3C#N)ccc2O1 504712411 PFIACWPZHLGAQE-HWKANZROSA-N 276.339 3.837 30 20 CHED C=CCn1c(C(C)C)nnc1N1CCC[C@@H](CC(C)C)C1 508741223 VZVKHMCAFJZNPN-HNNXBMFYSA-N 290.455 3.850 30 20 CHED COc1ccc(-c2ccccc2)cc1CN(CC#N)C1CC1 511929454 YQBSOKDTYZXKQA-UHFFFAOYSA-N 292.382 3.850 30 20 CHED C=CCc1ccccc1OCc1ccc([N+](=O)[O-])cc1 515313687 DZNKHUZPJTZHOK-UHFFFAOYSA-N 269.300 3.902 30 20 CHED C=CCCC1(C(=O)NCc2cc3ccccc3o2)CC1 525991333 PLGZNTVEGFLWTE-UHFFFAOYSA-N 269.344 3.795 30 20 CHED CCC(C#N)(CC)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 528966661 MELKSFUTKPWXND-NSHDSACASA-N 289.404 3.773 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccccc1C#N 531202336 JPYUJJPLWSZGDD-BEFAXECRSA-N 276.383 3.936 30 20 CHED C=CCN1CCC[C@H](c2nc3ccccc3s2)C1 532625603 KKKUFUKWDZINAE-LBPRGKRZSA-N 258.390 3.662 30 20 CHED C=C(CC)CS[C@H](C)C(=O)NCCc1ccccc1C 536881660 MHEUSNSWXVTUMW-OAHLLOKOSA-N 291.460 3.742 30 20 CHED C=CCN(C(=O)[C@H](c1ccccc1)[C@H](C)CC)C1CC1 537172127 AQOKYAFATWVCHU-PBHICJAKSA-N 271.404 3.993 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[C@@H](SC)C1 537187709 UOPYNSKUOODLOJ-MELADBBJSA-N 284.469 3.705 30 20 CHED N#Cc1cccnc1N1CCC[C@@H](c2ccc(F)cc2)CC1 539772989 KKRZSOZGADNHHC-CQSZACIVSA-N 295.361 3.866 30 20 CHED Cc1ccsc1CCN[C@H](C)c1cccc(C#N)c1 540604947 FBEJYIWWZCPIGY-CYBMUJFWSA-N 270.401 3.822 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1C#N 544141423 DTACDOUGPSXQPX-VBNZEHGJSA-N 295.773 3.665 30 20 CHED C=CCN(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)C1CC1 545403871 DZDISRXMQHGCJX-LLVKDONJSA-N 292.345 3.714 30 20 CHED C=CC[C@H](CC)NC(=O)NC12CC3CC(CC(C3)C1)C2 547373987 FBXYPFXOQPFKPL-RDVIWEACSA-N 276.424 3.609 30 20 CHED C[C@H](C#N)CNCC1CCC(c2ccccc2)CC1 554862994 SZCLKRLJPZLDTL-HPUBIQBYSA-N 256.393 3.710 30 20 CHED N#Cc1cc(NCCc2ccc3ccccc3c2)ccn1 557492756 GXYQDLAQVUPKJJ-UHFFFAOYSA-N 273.339 3.761 30 20 CHED CC[C@@H](NCC(C)(C)[C@H](O)C(C)C)c1ccc(C#N)cc1 562498747 KHJZBAIOJPKRMT-IAGOWNOFSA-N 288.435 3.642 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 563837189 TUGDXOZYRJOWJD-RRFJBIMHSA-N 281.440 3.641 30 20 CHED C=C[C@](C)(CC)C(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 571545591 OMIMYCDPMJEKSN-ABSDTBQOSA-N 297.442 3.899 30 20 CHED C=CC[C@@H](C(=O)NCC(CC)(CC)OC)c1ccccc1 579509297 FFIIWDHZFCUEMF-MRXNPFEDSA-N 289.419 3.668 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCCC(C)(C)C 581047922 GJCQEGOBQVOXGN-CYBMUJFWSA-N 252.402 3.563 30 20 CHED Cc1cc(CN[C@H](C)Cc2ccsc2)ccc1C#N 583063550 UGASBTYLONYPOL-CYBMUJFWSA-N 270.401 3.649 30 20 CHED C=CCC[C@H](N[C@@H]1COc2c(C)cccc2C1)C1CC1 583782524 OSWGFTVEMDJHIV-IRXDYDNUSA-N 271.404 3.633 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)CC(C)(C)C#N 584014840 FBUHDHAUGCQOFZ-OLZOCXBDSA-N 264.413 3.599 30 20 CHED N#CCCCCCC(=O)Nc1cccc(N2CCCC2)c1 588153435 QRCQESDXJWKTQF-UHFFFAOYSA-N 285.391 3.699 30 20 CHED Cc1cc(C#N)ccc1CN(C1CCC1)C1CCC1 590024792 JWUVXNFEYQQUOM-UHFFFAOYSA-N 254.377 3.774 30 20 CHED COCc1ccccc1/C=C(/C)CN1CCC[C@](C)(C#N)C1 590362458 KOZLSFGIMRLEBH-JVCXIRSZSA-N 298.430 3.862 30 20 CHED CC(C)(CCC#N)CNCc1cc2cc(Cl)cnc2o1 590654188 ADDBYCSIBCTUGN-UHFFFAOYSA-N 291.782 3.901 30 20 CHED C[C@H](c1ccccc1)n1cc(N[C@H]2CCC[C@H](C#N)C2)cn1 592395284 VQGFFCYUCOGMQW-VYDXJSESSA-N 294.402 3.987 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C1CCCCC1)C1CCC1 592696987 JOGGNNCSSOFAMJ-WBVHZDCISA-N 276.424 3.791 30 20 CHED CCCc1ccc(CCCC(=O)N(C)C[C@H](C)C#N)cc1 592755203 NRTGAUBCDNZLIH-OAHLLOKOSA-N 286.419 3.580 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 593963238 ZRGLFHMGEZURBX-ATNYBXOESA-N 298.430 3.678 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(F)ccc2OC(F)F)C1 595422558 ASBLAVWVSSYFTN-OAHLLOKOSA-N 298.308 3.553 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H]1c1ccc(F)cc1 595705869 XGZIMKAOAONWJO-GOSISDBHSA-N 280.346 3.953 30 20 CHED CC1(C)CCN(C[C@@H](C#N)CCC#N)CC(C)(C)C1 595748828 IDBZQHHNIFRORI-CQSZACIVSA-N 261.413 3.578 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(CC#N)cc1 596657722 BCNAPJIXYYFAII-SFESLNEESA-N 283.375 3.547 30 20 CHED CC1(C)CC(C(=O)N2CCC(C)(C#N)CC2)CC(C)(C)C1 597486118 HXKJPKHWMWNDIS-UHFFFAOYSA-N 290.451 3.991 30 20 CHED Cc1noc(C2CC2)c1NC(=O)CC1(C#N)CCCCC1 597490899 AAPWUABYXJFGFN-UHFFFAOYSA-N 287.363 3.663 30 20 CHED CC1(C(=O)NCCc2ccc(C#N)cc2)CCCCCC1 597890755 VWIAPVNFFKYDDD-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CCSc1ccccc1C(=O)N1CCC[C@H](CC#N)C1 597916673 ZCCAHPMJDKJXLA-CYBMUJFWSA-N 288.416 3.564 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C1CC1)[C@@H](C)C#N 598138089 QUDNQAIRUVRXDC-QLFBSQMISA-N 296.414 3.879 30 20 CHED CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(CC#N)cc1 598462440 QREQFZWGQBSTRG-XJKSGUPXSA-N 270.376 3.546 30 20 CHED CC(C)C[C@@H]1CCCCCN1C[C@@H](O)CC(C)(C)C#N 598594195 ZJEPZFAELNIZTL-HOTGVXAUSA-N 280.456 3.578 30 20 CHED CCCC[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)C(C)C 598693236 AFEDQUDGVQBIGI-HOCLYGCPSA-N 264.413 3.601 30 20 CHED CCC[C@H](C(=O)N[C@@H](C#N)CC)c1cccc(Cl)c1 599237298 JIGLVMQOYGFASF-KGLIPLIRSA-N 278.783 3.642 30 20 CHED CCC[C@H](C(=O)NCC(C)(C)C#N)c1cccc(Cl)c1 599745379 SPYUQMQPQUYKIS-AWEZNQCLSA-N 292.810 3.890 30 20 CHED N#CCC1(CNCCc2cccc(C(F)(F)F)c2)CC1 600152543 CVGXTQBKPATDPM-UHFFFAOYSA-N 282.309 3.531 30 20 CHED N#Cc1c(Cl)cccc1NCCc1cn2ccccc2n1 602084868 MBWZYVHXIXRCQA-UHFFFAOYSA-N 296.761 3.514 30 20 CHED C[C@@H](CCC#N)CN[C@@H](c1ccccc1)c1ccccn1 602499169 NRLRITPPRKTLRU-YJBOKZPZSA-N 279.387 3.700 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2ccccc2cc1OC 604880221 HTNPABXVEKPBIH-GFCCVEGCSA-N 269.344 3.543 30 20 CHED CC(C)C[C@@H](C)CC(=O)Nc1ccc(F)c(C#N)c1 609102561 ISHPRYROHUVEOE-LLVKDONJSA-N 262.328 3.708 30 20 CHED CC(C)c1ccc([C@H](C)CC(=O)N[C@H](C)CC#N)cc1 609987938 SPZJGJAVWJWAFD-ZIAGYGMSSA-N 272.392 3.722 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1COc2c(Cl)cccc21 610709880 HZFRAVOFKWVQSJ-CQSZACIVSA-N 288.709 3.896 30 20 CHED C=C(C)CN(CC)C(=O)c1c(Cl)cc(C#N)cc1Cl 611094197 WISCVHYXENUZST-UHFFFAOYSA-N 297.185 3.903 30 20 CHED CC[C@](C)(C#N)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 611142837 QRRQLCUABSKXOL-LKFCYVNXSA-N 299.201 3.905 30 20 CHED C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cn1 618802303 DHWYXVOSILLBAQ-DIFFPNOSSA-N 297.789 3.945 30 20 CHED C=CCC1(NC(=O)Cc2cc(C)ccc2F)CCCC1 619110192 FEJXIWOWJWLNTB-UHFFFAOYSA-N 275.367 3.682 30 20 CHED C[C@@H](C(=O)NCC1(C#N)CC1)c1c(Cl)cccc1Cl 619545836 BAUAQYVZMANBDW-SECBINFHSA-N 297.185 3.517 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C)n([C@H](C)CC)n1 620857576 BDRMRVPRFYCKJW-GFCCVEGCSA-N 277.412 3.637 30 20 CHED C=CCCCCCN(C)C(=O)C[C@H](C)c1ccco1 625758744 FDTAPEFTFOQOOK-AWEZNQCLSA-N 263.381 3.978 30 20 CHED C=C(C)CN(C)C(=O)c1cc2ccc(OC)cc2s1 632323966 LCUUSEPKNPNQHY-UHFFFAOYSA-N 275.373 3.558 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OC)c(COC)c1 634478740 ZATBHMIQHWEWIG-UHFFFAOYSA-N 289.375 3.549 30 20 CHED C=CCCC(C)(C)NCc1ccc(-c2cnn(C)c2)s1 657805463 PWDFEPSRRJQWPS-UHFFFAOYSA-N 289.448 3.983 30 20 CHED C=C(C)CN(CC)C(=O)NCc1cc2cc(C)ccc2o1 666475328 CLFZPZFWKUBWGB-UHFFFAOYSA-N 286.375 3.849 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 666824897 HHPMFHRISDCIPD-DZGCQCFKSA-N 292.810 3.804 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc2cccc(C)c2s1 685436126 ZQHQRZKMCZYYQO-LLVKDONJSA-N 259.374 3.904 30 20 CHED Cc1c(Cl)cncc1NCc1ccc(C#N)cc1F 690379854 DYLVIQQPWFBQIJ-UHFFFAOYSA-N 275.714 3.666 30 20 CHED c1nc(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c2ccsc2n1 725819444 NKNAACANZWTJOU-XZUYRWCXSA-N 298.415 3.915 30 20 CHED C[C@@H]1CCCCC1=NNc1nc(-c2ccccc2)no1 726739088 CJLLIVAWMQQEPN-LLVKDONJSA-N 270.336 3.715 30 20 CHED Fc1ccc(CNN=Cc2ccnc3ccccc23)cc1F 731313696 GFQDMPVPRVQRBT-UHFFFAOYSA-N 297.308 3.637 30 20 CHED CC(C)C(C)(C)NCc1ccc(O[C@H](C)C#N)cc1 732229540 HCBIFLPALNTOMC-CYBMUJFWSA-N 260.381 3.502 30 20 CHED C[C@@H]1CCC[C@@H](N2CCC(=NNc3ccccn3)CC2)C1 733746413 NSMBHAMNHWLNSI-GDBMZVCRSA-N 286.423 3.524 30 20 CHED CCOc1cccc(/C=N\CC2Cc3ccccc3C2)c1O 735228459 BOVXPIWOPQSXBR-MOSHPQCFSA-N 295.382 3.625 30 20 CHED CCOc1ccc(O)c(/C=N\CC2Cc3ccccc3C2)c1 735229164 SVTXWKATOOBDCH-MOSHPQCFSA-N 295.382 3.625 30 20 CHED C=CCN(Cc1cc(C)nc2ccccc12)C(C)C 736307987 DFTWHUSVUDUJPA-UHFFFAOYSA-N 254.377 3.940 30 20 CHED C[C@@H](Sc1ccccc1C#N)c1ccc(C(=O)O)o1 736712165 JEPYYLKYLMBFMT-SECBINFHSA-N 273.313 3.703 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(CCC)cc1 736953331 PISAKGGNYNFHJC-UHFFFAOYSA-N 252.745 3.513 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 741872345 KAQXQOIDAGWSBG-SWLSCSKDSA-N 292.423 3.659 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccccc1C(=O)O 743451005 WTLLUKWAJZQSII-CYBMUJFWSA-N 276.380 3.667 30 20 CHED C=C(Cl)CNC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 743620773 QNQSCZDZGBRHMM-HZMBPMFUSA-N 296.773 3.671 30 20 CHED CC(C)(C(=O)OCC1(CC#N)CC1)c1ccccc1Cl 744278745 SJWQPHLOLXNAEB-UHFFFAOYSA-N 291.778 3.855 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@@H](CCO)C1 745343645 ZSRRZGHUJQICSX-INIZCTEOSA-N 298.471 3.541 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CC34CCCC4)[nH]c12 747479646 OUBIQCMEJOVJAN-QWHCGFSZSA-N 293.370 3.628 30 20 CHED Oc1cccc2c1CCC2=NNc1ccc(Cl)c(F)c1 747635629 LHLCLXHKYIDABV-UHFFFAOYSA-N 290.725 3.947 30 20 CHED C[C@@H](CNCc1cc(C#N)cs1)c1cccc(F)c1 748099572 ZBWLDUCNLWPTRN-NSHDSACASA-N 274.364 3.652 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(C)cc1C 748240236 OFGCUXSHTDIXBM-AWEZNQCLSA-N 289.375 3.530 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(C#N)cs2)ccc1O 748440142 IICYQFKPOJJYOS-HYXAFXHYSA-N 269.325 3.530 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)c2ncc(C)s2)c(O)c1 749931751 WAWREXKSVJWRPF-RCEBRVLHSA-N 290.388 3.736 30 20 CHED C=C(Cl)COC(=O)C1(c2ccc(C)c(OC)c2)CCC1 750175881 KYRSICBSYRATPW-UHFFFAOYSA-N 294.778 3.721 30 20 CHED C#CC[C@@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(C)C 752202367 MLXMLPHYTVZRKZ-MENFKHAKSA-N 293.366 3.839 30 20 CHED C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)c1ccccc1C#N 752819843 QHCTTZLCUMXGDU-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED C=C(C)COC(=O)/C=C(/C)c1ccccc1OC(F)F 753399020 CXAJITBJPNZMAB-FLIBITNWSA-N 282.286 3.811 30 20 CHED C#C[C@H](CC)NC(=O)C(C)(C)c1ccc2ccccc2c1 754366033 DYGHJZRDLGYRFG-QGZVFWFLSA-N 279.383 3.645 30 20 CHED C=CCc1cc(OC)cc(CN2CCC[C@@H]2C(C)C)c1O 754722632 JJAUBKGPCWHHEB-QGZVFWFLSA-N 289.419 3.750 30 20 CHED Cc1ccc2cc(C(=O)/C=C/c3cn(C)nc3C)oc2c1 754830046 OYUFCRYZOHOBAX-VOTSOKGWSA-N 280.327 3.679 30 20 CHED N#Cc1ccc(C(=O)Oc2ccc3c(c2)CCCC3)s1 755132855 WJTREUHRDVVYFU-UHFFFAOYSA-N 283.352 3.718 30 20 CHED CC#CCCNC(=O)Nc1ccc(SC(F)F)cc1 755322247 ASMLDMYOKXNTQW-UHFFFAOYSA-N 284.331 3.536 30 20 CHED Fc1ccc(C=NNCc2ccccc2)cc1Cl 755564676 ORCNKMSEHRPYDK-UHFFFAOYSA-N 262.715 3.603 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)c1cc2ccccc2o1 756837500 AUODHEIRQAFZPU-UHFFFAOYSA-N 285.734 3.739 30 20 CHED CC(=NNC1CCOCC1)c1ccc(-c2ccccc2)cc1 757599655 UMGJBVJFEGYZOK-UHFFFAOYSA-N 294.398 3.846 30 20 CHED CC(C)(C(=O)OCc1ccc(F)cc1C#N)C1CCCC1 757845037 ZZGFAONPBMHIPG-UHFFFAOYSA-N 289.350 3.957 30 20 CHED C#CCOc1cccc(OCc2csc(C3CC3)n2)c1 758420753 GUXNMIRYVTTYDB-UHFFFAOYSA-N 285.368 3.612 30 20 CHED Cc1ccc(-c2nc(C=NOCC(F)F)cs2)cc1 758903972 QTRVXIAZCXLHFO-UHFFFAOYSA-N 282.315 3.734 30 20 CHED N#Cc1cc(COC(=O)/C=C\c2cccs2)ccc1F 758914725 OPTBNGSLYCZPOV-XQRVVYSFSA-N 287.315 3.515 30 20 CHED CC(=NNc1ccccc1Cl)c1cnc(C)s1 761252253 HWVUTUAWHWHAJU-UHFFFAOYSA-N 265.769 3.941 30 20 CHED CON=Cc1ccc(-c2nc(-c3ccccc3F)no2)cc1 761435915 HQUHZAZZOLOTQR-UHFFFAOYSA-N 297.289 3.523 30 20 CHED Fc1ccc2nc(C=NOCc3ccccc3)sc2c1 761782649 WGUNVGGWGGTMGQ-UHFFFAOYSA-N 286.331 3.986 30 20 CHED N#Cc1c(COC(=O)C(F)=C2CCCC2)cn2ccccc12 761971294 PHDNVMIGRMZDGL-UHFFFAOYSA-N 298.317 3.652 30 20 CHED CO[C@@H](C)C(C)=NNc1ccc(Cl)cc1Cl 763139155 MGUCUXMVONWWDR-QMMMGPOBSA-N 261.152 3.816 30 20 CHED CSc1ccc(C(C)=NNCC(F)F)c(Cl)c1 763363202 KDAZABAIBYKACZ-UHFFFAOYSA-N 278.755 3.641 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cn1ccc2ccccc21 768623842 BFMJKPGIUSSOSA-UHFFFAOYSA-N 298.386 3.905 30 20 CHED COc1ccc(O)c(/C=N/CCCc2cccs2)c1 769549008 LOAZBZAPUPXWRY-LFIBNONCSA-N 275.373 3.514 30 20 CHED Cc1c(C#N)cccc1NC(=S)N[C@@H]1CCCC[C@@H]1C 769794777 HCBRLRDIIYNHRL-SMDDNHRTSA-N 287.432 3.732 30 20 CHED C[C@H](C#N)COC(=O)c1ccc(-c2ccc(F)cc2)s1 770935083 BTXGYHKOPYTSDJ-SNVBAGLBSA-N 289.331 3.871 30 20 CHED C[C@@H]1CC(C)(C)CC[C@H]1NCc1ccc(OCC#N)cc1 772960336 RKDRLNYJRJSNFL-RHSMWYFYSA-N 286.419 3.893 30 20 CHED C#CCSCCN[C@H](CC(C)C)c1cccs1 773010413 JOZBEGFFCOWSNF-CYBMUJFWSA-N 267.463 3.791 30 20 CHED C=C(CC)CN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 773452639 HBSHGFQCMYIONR-SJORKVTESA-N 277.383 3.680 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1ncc(C(C)(C)C)o1 773627669 DIKXVEOAVDFVIJ-LBPRGKRZSA-N 277.364 3.770 30 20 CHED C[C@@H](OC(=O)c1ccoc1Cl)c1cccc(C#N)c1 774079315 WWRINLMDBAWIEG-SECBINFHSA-N 275.691 3.723 30 20 CHED c1ccc(C[C@@H]2CCCC2=NOC2CCOCC2)cc1 774435656 UUSZMJQUUMNXIH-HNNXBMFYSA-N 273.376 3.581 30 20 CHED CC[C@@](C)(NCc1cc(C#N)ccc1OC)c1ccccc1 775389731 XYKFQSISHIDVAE-LJQANCHMSA-N 294.398 3.982 30 20 CHED CCSc1ccc(Cl)cc1C(=O)OCC1(C#N)CC1 775865028 HINQJOROFNXJHV-UHFFFAOYSA-N 295.791 3.913 30 20 CHED N#CCc1ccc(COC(=O)C2CCCCCC2)cc1 776112470 VHZDTWSGPZMDCU-UHFFFAOYSA-N 271.360 3.766 30 20 CHED Cc1ccc(OC(F)F)c(/C=C\C(=O)c2cscn2)c1 776191168 FSCRUCRLAVJALV-ARJAWSKDSA-N 295.310 3.949 30 20 CHED CC(C)(C#N)CCOC(=O)Cc1ccc2ccccc2c1 776367414 ZQYOXQRECBUJDQ-UHFFFAOYSA-N 281.355 3.865 30 20 CHED N#C[C@@H](OC(=O)c1ccnc(Cl)c1F)C1CCCCC1 776396776 NIWRUXWVQCUWCS-LLVKDONJSA-N 296.729 3.503 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc1C 776727526 ZEOFOCJEMMUGED-XVNBXDOJSA-N 295.313 3.911 30 20 CHED C#Cc1cccc(NC(=O)c2cc(Cl)cc(Cl)n2)c1 777792262 RNSRZJZEBAPHEI-UHFFFAOYSA-N 291.137 3.622 30 20 CHED CC(C)=CCC[C@@H](C)CC=NNCCOC(C)C 778551140 WJOLEYUPUCITNH-OAHLLOKOSA-N 254.418 3.759 30 20 CHED CC1(C)CCC[C@@H](C=NN[C@@H]2CCOC(C)(C)C2)C1 780247576 SSESYQYCRUGTRR-ZIAGYGMSSA-N 266.429 3.736 30 20 CHED CC[C@@H]1C[C@@H](C)CCC1=NN[C@H]1CCOC(C)(C)C1 780252174 WXYXGMNBZXNELE-MJBXVCDLSA-N 266.429 3.736 30 20 CHED Clc1ccccc1[C@H]1CCCC1=NN[C@@H]1CCCOC1 780262295 YXCZSNOVOPWUEQ-TZMCWYRMSA-N 292.810 3.732 30 20 CHED COc1ccc(NN=C2CCc3c(Cl)cccc32)nc1 780265426 HMZACVHVUQWLIT-UHFFFAOYSA-N 287.750 3.506 30 20 CHED CC#CCCOC(=O)CCCSc1ccc(OC)cc1 781436942 OMPUSLIOHUFALT-UHFFFAOYSA-N 292.400 3.524 30 20 CHED CNc1ccccc1C(=O)O[C@H](C)c1cccc(C#N)c1 782036208 PTAPDFXSFFZMCG-GFCCVEGCSA-N 280.327 3.518 30 20 CHED COc1ccccc1C=NOCCCc1ccsc1 782945563 UTOSNTPUBSNWHV-UHFFFAOYSA-N 275.373 3.740 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1ncc(C(C)C)s1)OCC 783492559 LUSGMGWYMPIKKP-GFCCVEGCSA-N 297.420 3.681 30 20 CHED Fc1cc(Cl)ccc1C=NNc1ccc(Cl)nc1 783521659 WUUKNANVLYIHON-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1nccnc1C 783522631 WCLMTBYRUXAOSY-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C[C@@]1(C#N)CCCN(Cc2c(O)ccc3ccccc23)C1 784010847 BHUDUZPNZJSJDY-SFHVURJKSA-N 280.371 3.671 30 20 CHED C#CCCOc1ccc(CNC23CCC(CC2)C3)cc1 784643099 GJUUPQUTVRJBQE-UHFFFAOYSA-N 269.388 3.511 30 20 CHED C[C@]1(C#N)CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 784748344 WCJJJYFNABZKST-CDVVCGDMSA-N 288.778 3.505 30 20 CHED CC#CCCCC(=O)OCCSc1ccccc1 784754247 CZMQBYYGTPWEAB-UHFFFAOYSA-N 262.374 3.516 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(CC)cc2O)c1 786890424 XGYRYRBQASIMSH-UHFFFAOYSA-N 293.366 3.603 30 20 CHED COc1ncc(C(C)=NNc2cccc(C)c2)cc1Cl 788940816 WCWGZFIVDIXLCT-UHFFFAOYSA-N 289.766 3.888 30 20 CHED COc1ncc(C(=O)/C=C/c2cccc(C)c2)cc1Cl 789158475 WVJVXWSDBRGUJW-VOTSOKGWSA-N 287.746 3.948 30 20 CHED Oc1ccc(C=NNCc2cccc(Cl)c2Cl)cc1 790184124 REBWTLUSWRWNNT-UHFFFAOYSA-N 295.169 3.823 30 20 CHED C#Cc1cccc(N(CC)C(=S)Nc2ccsc2)c1 790318087 AAXYCJCSIJAUTR-UHFFFAOYSA-N 286.425 3.953 30 20 CHED C#C[C@H](CCC)NC(=O)c1c[nH]cc1-c1ccc(C)s1 791745118 GTOUMAQBMUXDDX-GFCCVEGCSA-N 286.400 3.583 30 20 CHED COc1ccc(C=NOCCSC)c2ccccc12 794577066 NIPWYXNCOHNDSJ-UHFFFAOYSA-N 275.373 3.562 30 20 CHED CCOc1ccccc1/C=C\C(=O)c1ccnc(F)c1 794722833 WRDJBPRTOJWPBO-FPLPWBNLSA-N 271.291 3.516 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2nc(C(C)C)oc2C)c1 796124941 BCWGTTRYMJEGMH-UHFFFAOYSA-N 296.370 3.754 30 20 CHED Cc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)c(C)c1 797195014 LGYARYCMEVXIRH-LZYBPNLTSA-N 266.296 3.625 30 20 CHED C=CC[C@@H](CCc1ccccc1)OC(=O)c1c[nH]c(C#N)c1 797563883 GIUPDZLYUYDGBN-KRWDZBQOSA-N 294.354 3.621 30 20 CHED C#C[C@H](NC(=O)N(CCC)Cc1ccc(C)cc1)C(C)C 798555789 RKBDHMSQBCDPFN-KRWDZBQOSA-N 286.419 3.574 30 20 CHED Cc1nn(C(C)C)cc1C=NNc1ccc2ccccc2n1 799104992 YSUQHTSLQOTMGH-UHFFFAOYSA-N 293.374 3.767 30 20 CHED Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1C#N 799316636 IFEVVIQLZQQDIF-BLLLJJGKSA-N 294.354 3.513 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/CC2CCC(F)(F)CC2)c1 800721143 KETQYMVBTDZJAD-RQZCQDPDSA-N 298.289 3.545 30 20 CHED C=CCCCCCCNC(=O)[C@H](OC)c1ccccc1 805217808 KGFGMGPVFALWHO-MRXNPFEDSA-N 275.392 3.627 30 20 CHED CCCCc1ccc(C(=O)OCCCSCC#N)cc1 805353794 BLPZBCYZQMNRIB-UHFFFAOYSA-N 291.416 3.833 30 20 CHED C=CCCCN1CCCC[C@H]1CCNC(=O)OC(C)(C)C 805765001 MWFZEKASDSYVKO-HNNXBMFYSA-N 296.455 3.722 30 20 CHED C=CCCCCCCNC(=O)Nc1ccn(C(C)C)n1 806507971 WFDRGZAEBGSLEY-UHFFFAOYSA-N 278.400 3.722 30 20 CHED Fc1ccccc1-c1ccc(C=NN[C@H]2CCSC2)o1 808003049 RMRKAYSQGHKJHC-NSHDSACASA-N 290.363 3.515 30 20 CHED Cc1cc(C=NNCC2CCCC2)cc2cccnc12 808006090 QQJQJSNSRLCWRY-UHFFFAOYSA-N 267.376 3.657 30 20 CHED CCC(CC)N(CC)c1snc(Cl)c1C#N 808133141 NAMZUWIKYMPUJG-UHFFFAOYSA-N 257.790 3.683 30 20 CHED C#C[C@@H](CC)N[C@H](C)Cc1ccccc1C(F)(F)F 809686014 IIVOTVZOSASWLC-YPMHNXCESA-N 269.310 3.638 30 20 CHED CC(C)C1CCC(C=NNC[C@@H]2CCSC2)CC1 811660704 SRUXMZMAIGRCFA-SLTAFYQDSA-N 268.470 3.777 30 20 CHED N#Cc1ccccc1Cn1cccc1C=NOC/C=C/Cl 811672076 PFPFLIXDEFQJMW-AQTHHQFMSA-N 299.761 3.511 30 20 CHED C=CCOCCOC(=O)c1sc2ccc(F)cc2c1C 813895665 XNTSDSBJZWDDLT-UHFFFAOYSA-N 294.347 3.708 30 20 CHED Cc1cc(C)nc(NN=C2CC[C@@H](Cc3ccccc3)C2)n1 814681297 FSNLHDYNYLCKGM-INIZCTEOSA-N 294.402 3.904 30 20 CHED CCCC(=NNc1ccc(Cl)nc1)c1cccnc1 814858781 HENUROHYTYUOKA-UHFFFAOYSA-N 274.755 3.746 30 20 CHED COCCC(C)=NOCc1ccc(C(F)(F)F)cc1 814882852 ZFNJNMJAHUPPID-UHFFFAOYSA-N 275.270 3.634 30 20 CHED C1CCC([C@H]2CCCCC2=NN[C@H]2CCCOC2)CC1 814909123 WSPSKSJCIZZDSY-JKSUJKDBSA-N 278.440 3.882 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc(Br)o1 814916972 GJOBOIJZWFRXRP-JTQLQIEISA-N 285.185 3.544 30 20 CHED OC[C@H](NN=C1CC[C@@H](c2ccccc2)C1)c1ccccc1 814919053 FZODHRBTJXMWFX-MJGOQNOKSA-N 294.398 3.633 30 20 CHED CCOc1ccc(NN=C(C)c2ccccc2OC)cc1 814985000 ONNVCBFLZFYMCT-UHFFFAOYSA-N 284.359 3.930 30 20 CHED C=CCC(F)(F)C(=O)N(CC)c1ccc(C)cc1C 815074541 WJPUUPRPHVVUTQ-UHFFFAOYSA-N 267.319 3.868 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)[C@H](C)C(C)(F)F 816349578 UNXNMXZZTLVMHJ-ZDUSSCGKSA-N 297.345 3.814 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N[C@@H]1CC[C@H](C#N)C1 819634082 XLZLYQKBXKSFPG-CTFRTPTRSA-N 288.778 3.552 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 820645825 BRNASZSGNPKYFU-RBSFLKMASA-N 288.391 3.564 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 822290547 JNKKDEJASKVGLH-SFHVURJKSA-N 287.378 3.833 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@H]1c1ccc(F)cc1 825079006 MNMAIMNLHQTFLW-DOMZBBRYSA-N 261.340 3.701 30 20 CHED CC(C)C#CC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 825357389 DPRDZPBRMJEKIX-UHFFFAOYSA-N 296.197 3.538 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1F)[C@H](C)CC 826882457 LJRUERLGXZFHQX-GFCCVEGCSA-N 276.355 3.738 30 20 CHED c1ccc(OCCCNN=C2CCCC23CCC3)cc1 834955355 BVNKRSHDPRBQTR-UHFFFAOYSA-N 272.392 3.755 30 20 CHED CC[C@H](C#N)OC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835213521 WRZUIKQMXCOXRB-BXKDBHETSA-N 285.265 3.811 30 20 CHED C=CC(C)(C)COC(=O)c1cc2nc(C)ccc2o1 835725174 WTKKIUGODPLFIW-UHFFFAOYSA-N 259.305 3.505 30 20 CHED CCOc1ccccc1C=NOCc1ccccc1OC 836295625 KCMKHNCPYWBGRZ-UHFFFAOYSA-N 285.343 3.645 30 20 CHED C#CCCCCCC(=O)Nc1ccc2c(c1)CC[C@H]2N(C)C 836881340 RVWBKTABBSPUBN-GOSISDBHSA-N 298.430 3.758 30 20 CHED C=CCC1(NC(=O)/C=C\c2cncc(F)c2)CCCCC1 836957695 WRLKGGCCZCCBGE-SREVYHEPSA-N 288.366 3.629 30 20 CHED C#CCCCCC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 841454354 YFUVXCRMGDXUEJ-LSDHHAIUSA-N 263.425 3.853 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)CCC(C)(C)C)cc1 843425137 FLGHTCKACPWQLC-AWEZNQCLSA-N 274.408 3.845 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)/C=C/C1CCCC1 843556831 LQXJABTYKPGBQX-JXMROGBWSA-N 287.334 3.523 30 20 CHED COC(=O)Cc1ccc(NN=C2CCC23CCCC3)cc1 844605131 APZRHWYAFDDJMO-UHFFFAOYSA-N 286.375 3.524 30 20 CHED C=C(C)CONC(=O)N(CC)[C@@H](CC)c1ccccc1 845596133 ZIFYYEBAPKJPMN-HNNXBMFYSA-N 276.380 3.677 30 20 CHED c1ccc(N/C(=N/Cc2ccoc2)N2CCCCC2)cc1 849058872 YNXHVYJJFVZVCJ-UHFFFAOYSA-N 283.375 3.734 30 20 CHED C=CC(C)(C)CCOC(=O)/C=C/c1cncc(C)c1 851299700 VUDLVFBSVPEZFD-VOTSOKGWSA-N 259.349 3.549 30 20 CHED C#C[C@@](C)(CC)N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 852101682 GPMOYWYNSVDSDM-KDOFPFPSSA-N 297.402 3.806 30 20 CHED N#CC[C@H]1CCCN([C@@H]2CCc3cc(Cl)ccc32)C1 852319017 FHFKHLISNCDGPN-MLGOLLRUSA-N 274.795 3.953 30 20 CHED Fc1c(Cl)cccc1NN=Cc1ccnn1CC1CC1 853297279 ZFCGXESIKDGBOY-UHFFFAOYSA-N 292.745 3.532 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)Nc1ccccc1OCC 853783755 YCRFQNOQKBUHRV-NSHDSACASA-N 299.823 3.898 30 20 CHED CC(C)c1ccccc1C(=O)N1CCC[C@H](CC#N)C1 855257244 YEVUNJTZISEYBW-CQSZACIVSA-N 270.376 3.576 30 20 CHED C=CCCONC(=O)C(C)(C)c1ccc2ccccc2c1 856031787 BECDMRIFUZYPRM-UHFFFAOYSA-N 283.371 3.741 30 20 CHED N#CC1(CC(=O)Oc2cccc(F)c2F)CCCCC1 857583763 UIUPIWANKAKQHA-UHFFFAOYSA-N 279.286 3.734 30 20 CHED Cc1cc(C)c(C#N)c(NC(=O)C=C2CCC(C)CC2)n1 857639986 ZPZCAQJTPLFXSD-UHFFFAOYSA-N 283.375 3.645 30 20 CHED C#CCCCCCC(=O)N(C)c1ccc(C#N)c(Cl)c1 876166933 FYMGJLRBXWWLSP-UHFFFAOYSA-N 288.778 3.758 30 20 CHED N#Cc1cccc(CN2CCCC[C@@H]2c2ccccc2)n1 877365456 QTLCIQRMRZFCEX-GOSISDBHSA-N 277.371 3.680 30 20 CHED CC[C@@H](C)c1nc(-c2cn(CCCC#N)nn2)c(C)s1 887515637 UOSVVTOMHJPILX-SNVBAGLBSA-N 289.408 3.527 30 20 CHED C=C1CCC(C(=O)N2CCOc3ccccc3[C@H]2C)CC1 893067439 JVBOOTUNCWKGJD-CQSZACIVSA-N 285.387 3.715 30 20 CHED CSc1ccc(CN(CCC#N)CC(C)(C)C)o1 894003720 OWFXUYNKZUKBQS-UHFFFAOYSA-N 266.410 3.763 30 20 CHED C=C1CCN(C(=O)N[C@H](C)c2ccccc2SC)CC1 894624788 NJXYNLIXSBGCFH-CYBMUJFWSA-N 290.432 3.831 30 20 CHED CCc1ccc(NC(=O)/C=C/C(=O)c2ccc(C)cc2)cc1 899928226 FSZZHBRJKVQKAU-OUKQBFOZSA-N 293.366 3.935 30 20 CHED C=CCCC[C@@H](NCc1c(F)cc(C)cc1Cl)C(=O)O 900068150 AGUBLBYAQUGTJA-CQSZACIVSA-N 299.773 3.687 30 20 CHED C=CCCC(=O)N(O)Cc1cccc2ccccc12 901370563 KCJNZGOKIOUDRS-UHFFFAOYSA-N 255.317 3.524 30 20 CHED C=C/C=C/CCNc1cccc(OCCCC#N)c1 901969582 LVCHPYUYSBCUFP-ONEGZZNKSA-N 256.349 3.913 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1ccc(-c2ccncc2)cc1 903099978 DWMLNFIPIAPUTC-CQSZACIVSA-N 279.387 3.949 30 20 CHED C=CCC[C@H](NCC[C@H]1CCCC[C@H]1O)c1ccco1 903264426 OFJUIDDICHYITC-OWCLPIDISA-N 277.408 3.818 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1cc(C)oc1C 915967405 HTUNUFBZBSCPTF-UHFFFAOYSA-N 282.347 3.619 30 20 CHED CC(=NNc1ccccn1)c1ccc(OCC(C)C)cc1 916273508 HLKMSADKOWOBFR-UHFFFAOYSA-N 283.375 3.953 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1ccc(N)cc1 916542436 LPNIOFLABZVIMM-UHFFFAOYSA-N 295.173 3.807 30 20 CHED C=CCN(C(=O)NC[C@@H](CC)c1ccccc1)C(C)C 918059457 XUFRPLLKJFDWHB-OAHLLOKOSA-N 274.408 3.786 30 20 CHED N#CCSCCCSc1nc2ccc(F)cc2o1 919848355 UWYNCZJIDIZGMV-UHFFFAOYSA-N 282.365 3.706 30 20 CHED Cc1cccc(NN=Cc2cn3cc(Cl)ccc3n2)c1 920357975 ZOTFAIMUSIMNRY-UHFFFAOYSA-N 284.750 3.742 30 20 CHED Fc1ccc(C=NNc2cc(F)cc(F)c2)cc1 920376250 GAVNQYJFAAEFBP-UHFFFAOYSA-N 250.223 3.550 30 20 CHED CCOc1ccc(C=Nc2ccc(F)cc2)c(O)c1 920943503 LZFZBPGEYGESLD-UHFFFAOYSA-N 259.280 3.681 30 20 CHED CO[C@@H](CN[C@@H](C)CC(C)(C)C#N)c1ccccc1Cl 925540176 AQFZGBKMOYFMDN-WFASDCNBSA-N 294.826 3.945 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1cc(-c2ccccc2)no1 926628057 SDXOMDDMMYMOOV-CYBMUJFWSA-N 281.359 3.686 30 20 CHED Cc1cc(CNc2cccc(C#N)c2C)cc(Cl)n1 1116898865 DTVNECNKTAVOIP-UHFFFAOYSA-N 271.751 3.836 30 20 CHED Clc1cccc(-c2nnc(C#Cc3ccccc3)o2)c1 1118438541 PERDSDOEVLXPME-UHFFFAOYSA-N 280.714 3.790 30 20 CHED Cc1ncc([C@H](C)NC2CC(C#N)(c3ccccc3)C2)s1 1118933167 JEMVUCATKPHHDJ-VWDMACCTSA-N 297.427 3.726 30 20 CHED C#C[C@H](OC(=O)[C@H](C)OC1CCCCC1)c1ccccc1 1122972122 QWLCLONLENJGIZ-YOEHRIQHSA-N 286.371 3.642 30 20 CHED CCC[C@@H]1CCCN1C(=O)Nc1cccc(CC#N)c1 1123422308 DBGWGTPVMDFZAW-OAHLLOKOSA-N 271.364 3.549 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)O[C@H](CC#N)c1ccco1 1123463433 TUZMRDOQANDZIW-RHSMWYFYSA-N 297.354 3.965 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1ccc(CC#N)cc1 1124552540 OBDJVVSCRUPFTE-UHFFFAOYSA-N 282.318 3.706 30 20 CHED Cc1ccc(C2(C(=O)O[C@H]3CC[C@@H](C#N)C3)CCC2)cc1 1263385266 NXJONYBBOLZMMT-ZBFHGGJFSA-N 283.371 3.652 30 20 CHED C=C(CC)C(=O)N[C@H](CCCCOC)c1ccccc1 1263816010 QBTPUCWPDZWFHM-MRXNPFEDSA-N 275.392 3.627 30 20 CHED Cc1nc(C#N)cc(NC[C@H]2CCC[C@@H]2c2ccccc2)n1 1307126982 JJGJQYODLKBWGR-NVXWUHKLSA-N 292.386 3.653 30 20 CHED C=CCCCCNC(=O)c1ccc(Cn2cccc2)cc1 1320336573 BTQSTWDHFJTWMK-UHFFFAOYSA-N 282.387 3.623 30 20 CHED C=C(C)CCC(=O)Nc1cc(Cl)c(OC)c(OC)c1 1336535585 HWOZFQXHJBHZFY-UHFFFAOYSA-N 283.755 3.652 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 1337182004 BNYTWXBAGIPDFS-OAHLLOKOSA-N 286.419 3.820 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(C#N)cc1F 1337275489 TYCHROXKLUOXGC-LBPRGKRZSA-N 288.366 3.738 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)C1CCCCCC1 1337424766 SNVRETRDBCYEOO-UHFFFAOYSA-N 277.755 3.516 30 20 CHED C#C[C@H](CC)NC(=O)c1ccc(-c2ccccc2)s1 1338998660 KZJNYIGBGFJOSW-CYBMUJFWSA-N 269.369 3.557 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)C1 1343401321 VYPBNACURHZDPR-WHOHXGKFSA-N 289.297 3.591 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(F)cc1C#N 1347682506 SKDUKWJDQCINPA-AWEZNQCLSA-N 287.338 3.660 30 20 CHED CC(C)C[C@@H](C)CC(=O)O[C@H](CC#N)c1ccco1 1350311349 JOHVTNCZSSJRIO-TZMCWYRMSA-N 263.337 3.850 30 20 CHED Cc1cccc(CC2CN(Cc3cccc(F)c3C#N)C2)c1 1462456827 YWZTYOPRYOBORT-UHFFFAOYSA-N 294.373 3.680 30 20 CHED C=C(Cl)CN(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 1473578234 LXFQMMUMEBJQDE-QGZVFWFLSA-N 292.854 3.724 30 20 CHED C=CCn1c(C2CC=CC2)nnc1N(C)[C@@H](C)c1ccco1 1520373099 TVBSOHDZBWSHLM-ZDUSSCGKSA-N 298.390 3.688 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1C 1527387614 LEAOZEYTAHYEGW-GOEBONIOSA-N 284.403 3.813 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1cc(C#N)ccn1 1527466271 DJBROVKWOVGUII-GJZGRUSLSA-N 299.418 3.536 30 20 CHED C[C@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 1534849869 BYZUSAABZNCCBM-MGBSGCIJSA-N 283.371 3.989 30 20 CHED C[C@H]1CN(CC2(CC#N)CC2)CC[C@@H]1c1ccccc1 1559565711 QLXRKWNOPYPLMN-RDJZCZTQSA-N 268.404 3.806 30 20 CHED CC1(C)CCC(CNC(=O)c2ccc(C#N)cc2F)CC1 1584234174 DFCBKJCIRKVDNW-UHFFFAOYSA-N 288.366 3.644 30 20 CHED Cc1cc(SCc2ccsc2C(=O)O)ccc1C#N 1600303377 LWLVLYJXIQKMNH-UHFFFAOYSA-N 289.381 3.919 30 20 CHED O=C(O)CCCCC(=NOCC1CC=CC1)C(F)(F)F 1601980682 ATXNLSPHYUBBGD-UHFFFAOYSA-N 293.285 3.533 30 20 CHED Cc1ccc(NN=C(C(C)C)C2CC2)cc1C(=O)O 1610510568 QBCDPPKXFYXXCT-UHFFFAOYSA-N 260.337 3.527 30 20 CHED CC(=O)c1cc(NC(=O)c2ccccc2CC#N)ccc1C 1627757496 OMVQAOLZEVJFJZ-UHFFFAOYSA-N 292.338 3.516 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)Nc1ccc2oc(C)c(C)c2c1 1633352863 NJPVNFQBBGNVFF-UHFFFAOYSA-N 293.326 3.810 30 20 CHED C[C@@H]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC1(C)C 1633668240 XHMUTGMWGLANOC-ZBFHGGJFSA-N 284.403 3.578 30 20 CHED Cc1c(Cl)cnc(N2CC(C)(c3ccccc3)C2)c1C#N 1640190013 WHRTZSDCPBEAKS-UHFFFAOYSA-N 297.789 3.693 30 20 CHED CCC1(CC)[C@@H](NCc2ccc(C#N)c(C)c2)C[C@H]1OC 1662022740 VGDXXRQTNYMMJE-DLBZAZTESA-N 286.419 3.550 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(OC)c(C#N)c1 1664152606 GHKBGFGFJDHFFT-VXGBXAGGSA-N 289.379 3.513 30 20 CHED CC[C@H]1CCCC(=NNc2ccc(C(=O)O)nc2)CC1 1776071488 BPHLBWQTSAZFQO-NSHDSACASA-N 275.352 3.538 30 20 CHED C=C[C@@H]1CCCN([C@H](C(=O)O)c2ccc(F)c(Cl)c2)C1 1776150261 DPAUZCHKCXQSPQ-YGRLFVJLSA-N 297.757 3.503 30 20 CHED C=CCC[C@H](CC(C)C)C(=O)Nc1cccc(C(=O)O)c1 1776165909 GMBNPANCUFPGOD-CYBMUJFWSA-N 289.375 3.952 30 20 CHED C=CCN(CCCCC(=O)O)Cc1ccc(Cl)cc1 1776178876 FQMITEUHULKDIV-UHFFFAOYSA-N 281.783 3.583 30 20 CHED C=CCc1cccc(CN2CCC(CC=C)(C(=O)O)CC2)c1 1776187290 GJLDIOUQPBEGOL-UHFFFAOYSA-N 299.414 3.658 30 20 CHED Cc1cccc(Nc2nnc(S[C@H](C)C#N)s2)c1 4838357 MVHPPUVGXIRQHL-SECBINFHSA-N 276.390 3.594 30 20 CHED N#CCCSc1nc2ccccc2c(=O)n1C1CCCC1 6531391 UOESBRHKCHHLQY-UHFFFAOYSA-N 299.399 3.517 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1cccc(F)c1 20147811 SZAJSIKMVRHFGC-LBPRGKRZSA-N 254.308 3.548 30 20 CHED C[C@@H](Cc1cccs1)Nc1ccc(C#N)cc1[N+](=O)[O-] 25575116 BXVQUAOPFYKKKE-JTQLQIEISA-N 287.344 3.571 30 20 CHED CCCCC1CCC(C(=O)N(CC)C[C@H](C)C#N)CC1 42296882 VWSNLUUBCUEIFL-QQFBHYJXSA-N 278.440 3.991 30 20 CHED COc1ccc([C@@H](Nc2ccc(C#N)cn2)C(C)C)cc1 42848096 WXSYOGUDLCHJCR-KRWDZBQOSA-N 281.359 3.771 30 20 CHED Cc1cc(C)cc(N(C)CCOc2cccc(C#N)c2)c1 48400532 MLZKJDXQJVNWDJ-UHFFFAOYSA-N 280.371 3.690 30 20 CHED N#Cc1cccc(OCc2ncc(-c3ccc(F)cc3)o2)c1 50511492 YJXBHYYWSSKBAF-UHFFFAOYSA-N 294.285 3.931 30 20 CHED CN(CCOc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 51650468 CQXJKORIGJNNEB-LJQANCHMSA-N 292.382 3.556 30 20 CHED N#Cc1ccsc1C(=O)N1CCC[C@H]1c1ccsc1 52031053 GBKLNQSFJQRYHG-LBPRGKRZSA-N 288.397 3.659 30 20 CHED C=CCN(CC=C)C(=O)CCc1ccc(C)c(Cl)c1 53754366 LBWQSUICSJYVCF-UHFFFAOYSA-N 277.795 3.782 30 20 CHED C=CCSc1nc2ccccc2c(=O)n1CCC(C)C 57801890 CRSUTNVCJISOJA-UHFFFAOYSA-N 288.416 3.721 30 20 CHED C=CCCC(=O)N[C@H](C)CC(C)(C)c1ccccc1 60365160 ZPLDOZZESYVJOM-CQSZACIVSA-N 259.393 3.825 30 20 CHED N#Cc1ccc(CNc2cc(F)c(F)cc2F)cc1 61092987 HNMVNFBHMNTLSM-UHFFFAOYSA-N 262.234 3.588 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C)c(F)c2)c1 67427865 PPKKXSSPOZIJEI-CMDGGOBGSA-N 297.329 3.989 30 20 CHED CC(C)(C#N)C(=O)Nc1cccc(N2CCCCCC2)c1 76372938 KJXQHPLICMCRQQ-UHFFFAOYSA-N 285.391 3.555 30 20 CHED CCC(C)(C)NCc1ccc(OC)c(OCCCC#N)c1 76398803 HHGUSOWOTXJZRE-UHFFFAOYSA-N 290.407 3.656 30 20 CHED C=CCCn1nc(-c2cccs2)c2ccccc2c1=O 77238734 YELVFSWOCZJLFT-UHFFFAOYSA-N 282.368 3.701 30 20 CHED Cc1ccc(CN(CCCCC#N)C2CC2)cc1C 77361117 YJWADNLIWBUZHZ-UHFFFAOYSA-N 256.393 3.962 30 20 CHED Cc1cc(Br)ccc1NCC1(CC#N)CC1 83853545 XWYQVBVXICRLEC-UHFFFAOYSA-N 279.181 3.863 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(CC)nc(C)n1)c1ccccc1 89917056 ANSXLVHMDSMLAY-AWEZNQCLSA-N 295.386 3.646 30 20 CHED CCCO[C@@H]1CCCN(CC(C)(C)CCC#N)CC1 93317847 JOMLBJMTUVMZRE-OAHLLOKOSA-N 266.429 3.597 30 20 CHED C=CCCC(=O)Nc1ccc(OC(C)C)cc1F 102248391 TYKWNKYPEFPCME-UHFFFAOYSA-N 251.301 3.518 30 20 CHED C=C(C)CN(CC)C(=O)C(C)(C)c1ccc(C)cc1 102983349 IOWJHMFODFFHQP-UHFFFAOYSA-N 259.393 3.697 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cnc(C(C)(C)C)s2)c1 103029404 GVJLBLUKJRSCME-UHFFFAOYSA-N 298.411 3.699 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC[C@H]1C 105308324 ABYHPAIPABKVCM-CJNGLKHVSA-N 290.382 3.712 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1C 105308810 QVWWCNLUUHDXHG-WMLDXEAASA-N 299.418 3.667 30 20 CHED CC[C@](C)(NCc1cccc(C#N)c1)c1ccccc1 107717932 LOJONQVFQICGRQ-SFHVURJKSA-N 264.372 3.973 30 20 CHED CC[C@@H](OC(=O)COc1ccccc1C#N)c1ccccc1 113464770 WUDAJFJOYYRCQD-MRXNPFEDSA-N 295.338 3.632 30 20 CHED C[C@H](CC#N)OC(=O)c1sccc1-c1ccccc1 113696091 KYUHZCBKJKJFAT-LLVKDONJSA-N 271.341 3.874 30 20 CHED C=CCCCOC(=O)c1csc(-c2cccs2)n1 117993735 YGWJMDBBUYCZNE-UHFFFAOYSA-N 279.386 3.995 30 20 CHED C=CCN1CCC(N[C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 123193814 HKUJHSGIFIELTH-MOPGFXCFSA-N 298.474 3.809 30 20 CHED C[C@@H](C#N)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 126730256 WXXGLORMDWYHED-SJCJKPOMSA-N 286.325 3.750 30 20 CHED CC[C@@H](NCc1ccc(C#N)s1)c1ccc(OC)cc1 135670723 PBYVAPZFYDXLRX-MRXNPFEDSA-N 286.400 3.869 30 20 CHED Cc1cc(Cl)ccc1CN(CCC#N)CC1CC1 136187682 JUNFXINHDHQIKZ-UHFFFAOYSA-N 262.784 3.774 30 20 CHED C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)C1CCCCCC1 150124837 IFWVFBKTKGJCQB-KBXCAEBGSA-N 286.419 3.540 30 20 CHED CCC1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 151470299 ACICMTLSEZIARA-QGZVFWFLSA-N 299.418 3.863 30 20 CHED Cc1ccc(NC(=O)Nc2ccc(F)cc2OCC#N)cc1 152063639 YUTUWKJOTGARKK-UHFFFAOYSA-N 299.305 3.681 30 20 CHED N#CCCN(CCC#N)Cc1ccc(Oc2ccccc2)o1 152844988 HUDQOROUUVRLAQ-UHFFFAOYSA-N 295.342 3.701 30 20 CHED C=CCC(CC=C)C(=O)Nc1cc(F)c(OC)cc1OC 153062909 MYTMVYZKXOUIJD-UHFFFAOYSA-N 293.338 3.550 30 20 CHED CC(C)c1ncc(-c2nc3cc(C#N)ccc3[nH]2)s1 154231987 PCHWUEHFXIPADA-UHFFFAOYSA-N 268.345 3.681 30 20 CHED CC#CCCSc1nnc(-c2cccc(Cl)c2)n1C 155317089 PMYMXOZRRIWQLJ-UHFFFAOYSA-N 291.807 3.641 30 20 CHED C=C(C)CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 156591774 ZQMILESKUDEQPP-OAHLLOKOSA-N 276.355 3.542 30 20 CHED CCCCCCCOC(=O)[C@@H](C)c1c(C)noc1C 157510653 CZXSHLHRAPVLJD-NSHDSACASA-N 267.369 3.909 30 20 CHED C[C@@H](c1cccs1)N(C)Cc1ccc(F)c(C#N)c1 160879880 DBMZXMXCBMMIMH-NSHDSACASA-N 274.364 3.952 30 20 CHED CC[C@H](C)CN(C)Cc1ccc(C#N)cc1Cl 162865559 ZWGXNDZVLAEONR-NSHDSACASA-N 250.773 3.690 30 20 CHED C#CCOc1ccc(CNCc2ccc(Cl)s2)cc1 172112896 FHKOSNVCIDYXDI-UHFFFAOYSA-N 291.803 3.703 30 20 CHED Cc1cccc([C@H](C)NC(=O)c2cccc(CC#N)c2)c1C 172169748 MHQMAVJLBDDYHB-HNNXBMFYSA-N 292.382 3.861 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)c2cccc(CC#N)c2)C1 173663687 MVNKKNZSYXPSHD-SFHVURJKSA-N 284.403 3.795 30 20 CHED CC[C@@](C)(NCc1ccccc1C#N)c1nc(C)cs1 173944162 GPCAOQAOSXJHBV-MRXNPFEDSA-N 285.416 3.738 30 20 CHED CCN(CC)[C@H](CNCC(C)(C)CCC#N)c1ccco1 174321290 HPCQIWNDPJLUGR-OAHLLOKOSA-N 291.439 3.582 30 20 CHED N#CCC1(COC(=O)Cc2ccc(Cl)cc2Cl)CC1 174743567 UHRYDYAOQLGIJZ-UHFFFAOYSA-N 298.169 3.773 30 20 CHED C[C@@H](OC(=O)c1cc(F)cc(F)c1)c1ccc(C#N)cc1 175761426 LRSNPIAMQPCJAQ-SNVBAGLBSA-N 287.265 3.754 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)s1 176957553 XAWXHIZCJRJWRV-HNNXBMFYSA-N 272.348 3.536 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2cccc(CC#N)c2)C1 177111430 KEHRDJAPMMQHTO-INIZCTEOSA-N 284.403 3.651 30 20 CHED CCN(Cc1cccs1)C(=O)Nc1cccc(C#N)c1C 178540690 VDAPWAUOYSOTBA-UHFFFAOYSA-N 299.399 3.982 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cccc2[nH]ccc12 178769744 FRQOULGAHOVJDN-UHFFFAOYSA-N 275.311 3.600 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1cccc(OC)c1 179673612 HWMOVUMINJSKOJ-KRWDZBQOSA-N 285.387 3.552 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 180220519 RDAVGTKUIXFJEP-CQSZACIVSA-N 296.370 3.712 30 20 CHED C=CCCCC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 180494619 XJKOXWHMIUDKNG-JTQLQIEISA-N 265.319 3.826 30 20 CHED N#Cc1ccc(CNc2nnc(C3CCCCC3)o2)s1 181628424 VLKQALKWCHBYTO-UHFFFAOYSA-N 288.376 3.663 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)c1 182026076 SOBVVKBHXZYSFF-CQSZACIVSA-N 294.354 3.847 30 20 CHED CCC[C@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 182145569 WFPVTHDVQFLCMS-QWHCGFSZSA-N 274.364 3.742 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 182495487 WKOCCVPFGYUIKM-JTQLQIEISA-N 296.754 3.723 30 20 CHED CCC(CC)[C@@H](NC(=O)NC[C@H](C)C#N)c1ccccc1 182564961 UQTSRNVZEPMXNE-CZUORRHYSA-N 287.407 3.623 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccnn1C(CC)CC 182590397 LITQQEVIWDVYCR-ZDUSSCGKSA-N 277.412 3.719 30 20 CHED Cc1cncc(C(=O)/C=C/c2cc(F)ccc2C)c1 184779289 ASLVAARURBMOAM-GQCTYLIASA-N 255.292 3.734 30 20 CHED CC#CCCCC(=O)Nc1ccc2ccccc2c1 184863752 TUNGQFNFSBYIJM-UHFFFAOYSA-N 251.329 3.972 30 20 CHED COCCC1(CNCc2cc(C#N)cs2)CCCCC1 185225289 OZVSUNRIOGIMCQ-UHFFFAOYSA-N 292.448 3.696 30 20 CHED C=CCC[C@@H](C)N[C@H](C)c1nc(Cc2ccccc2)no1 185399598 MCJDGEPKWWDIAZ-ZIAGYGMSSA-N 285.391 3.666 30 20 CHED N#CCCCCNC(=O)NC1(Cc2ccccc2)CCCC1 185975360 VZWPEUQIEBWBHX-UHFFFAOYSA-N 299.418 3.535 30 20 CHED C=C(C)[C@H](NCc1cc(C)on1)c1ccc(F)c(F)c1 187756409 YGKGHCQKVYHZPY-HNNXBMFYSA-N 278.302 3.668 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(F)c(Cl)c1 187935320 FBIHVCYSPSMPSF-CQSZACIVSA-N 269.747 3.698 30 20 CHED CC[C@@H](CC#N)OC(=O)c1ccc(Oc2ccccc2)o1 187949701 AAFRNVFPKVLWRD-LBPRGKRZSA-N 285.299 3.921 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 188652283 KEQKXDYJTAPGGC-MRXNPFEDSA-N 299.330 3.684 30 20 CHED C=C[C@@](C)(CC)C(=O)N(CCC(F)(F)F)CC1CC1 188764642 KFOVOTJJPPNJHJ-ZDUSSCGKSA-N 277.330 3.780 30 20 CHED C=CCC1(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)CCC1 189346435 SSGDUHMDDJQDJZ-GOSISDBHSA-N 299.414 3.507 30 20 CHED C=CCC[C@@H](C(=O)NCc1ccco1)c1ccccc1 189358327 LOGMIUOYBLGLJK-MRXNPFEDSA-N 269.344 3.646 30 20 CHED CC(C)c1noc([C@@H](C)Oc2ccc(C#N)c(Cl)c2)n1 190277825 PPYXDICDWHXDAX-SECBINFHSA-N 291.738 3.858 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccccc1SC 192550562 XVTYQJFIFAQBHN-UHFFFAOYSA-N 262.378 3.614 30 20 CHED CC1(C)CCCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 192578542 YJCABILBZKYGQU-OAHLLOKOSA-N 270.376 3.908 30 20 CHED CC(C)COc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 192728436 IMBMXCQKGUUJBM-DOTOQJQBSA-N 286.419 3.893 30 20 CHED C[C@H](Oc1cc(F)ccc1F)c1ccc(C#N)cc1 194644023 XSLYGUCGJNMSTM-JTQLQIEISA-N 259.255 3.976 30 20 CHED C[C@@H]1CCC[C@@H](C)N(Cc2ccc(O[C@H](C)C#N)cc2)C1 245696336 CINWYWKFXCOTLP-BZUAXINKSA-N 286.419 3.988 30 20 CHED CC[C@H](CC#N)N[C@@H]1CCCC[C@H]1c1ccccc1 251398736 YNAGZCKBOLIYMW-IXDOHACOSA-N 256.393 3.995 30 20 CHED Cc1cc(C)cc(C(=O)/C=C\c2cccnc2C)c1 255618314 IKKPVHDQSBGULH-SREVYHEPSA-N 251.329 3.903 30 20 CHED C[C@@H](OCCCNc1ccc(C#N)nc1)c1ccccc1 267385247 MKNTZKQFAZRNFK-CQSZACIVSA-N 281.359 3.533 30 20 CHED N#Cc1cccc(C2(NC(=O)CC3=CCCCC3)CC2)c1 269615501 OKMVDZJGQRBDFR-UHFFFAOYSA-N 280.371 3.554 30 20 CHED CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc(C#N)cc1 272078509 QRMFTOVUKJFSLQ-FZKQIMNGSA-N 298.361 3.563 30 20 CHED N#CCCCNC(=O)N[C@@H](CC1CCC1)c1ccccc1 273503272 ICFWMENGUPEOBM-INIZCTEOSA-N 285.391 3.521 30 20 CHED C=CCc1cccc(C(C)C)c1NC(=O)c1cncnc1C 276477555 RCLNEAKATVTCAX-UHFFFAOYSA-N 295.386 3.889 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccoc1C1CC1 282000773 WJPFKYZHDKOMBJ-UHFFFAOYSA-N 297.358 3.837 30 20 CHED Cc1oc(C(C)C)cc1C(=O)Nc1cccc(OCC#N)c1 285156797 PSLWMYSVZDSUOE-UHFFFAOYSA-N 298.342 3.866 30 20 CHED CNc1ccc(C#N)cc1NC(=O)c1occc1C(C)C 285956180 NEZISWYZVNJCRC-UHFFFAOYSA-N 283.331 3.569 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(OC)c(OC)c1C 287080601 WJQXCJQROMKCPX-CYBMUJFWSA-N 263.381 3.629 30 20 CHED CC(C)n1cc(/C=C2/CC(C)(C)c3ccccc3C2=O)nn1 287350521 XKVJTMSPHLHDGA-LCYFTJDESA-N 295.386 3.807 30 20 CHED CCOc1cccc([C@@H](CC)OC(=O)CCCC#N)c1 291502688 OALGFAPOHUQKOH-OAHLLOKOSA-N 275.348 3.773 30 20 CHED C=CCOc1ccc(CN[C@H](C)CCCCO)cc1Cl 295083811 QSAFLSVQSKYBCL-CYBMUJFWSA-N 297.826 3.546 30 20 CHED Cc1cc(F)c(NCCCC(C)(C)C#N)cc1[N+](=O)[O-] 296713917 IIFRSHUNXIQLDW-UHFFFAOYSA-N 279.315 3.784 30 20 CHED CC1(C)CC[C@H](CNc2ccc(C#N)nn2)c2ccccc21 301942582 XKPBMDDIYFEEMJ-CYBMUJFWSA-N 292.386 3.615 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2CCCC3(CC3)C2)c1 302425230 OSTGZKUKHPJUAZ-UHFFFAOYSA-N 280.293 3.957 30 20 CHED N#Cc1ccc(OCCc2ccc(Cl)cc2)c(F)c1 308505474 IKBQOBIYQMYAPL-UHFFFAOYSA-N 275.710 3.972 30 20 CHED C[C@H]1C[C@@H]1CNc1cc(Br)c(C#N)cc1F 309517652 ZACXBCLLLPQXSJ-IONNQARKSA-N 283.144 3.528 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@H](C)c2ccccc21 312368694 LFSNANJUANOVNF-ZDUSSCGKSA-N 270.376 3.857 30 20 CHED CCC1(C/N=C(/O)[C@@H]2C[C@H](C)CC(O)=N2)CCCC1 328912447 HHDWRDHRJIAQTG-RYUDHWBXSA-N 266.385 3.668 30 20 CHED CC1(C)CCC[C@@H]1/N=C(/O)[C@H]1CCC(=O)c2cccn21 329829469 JSNPOLWXRASRMG-OCCSQVGLSA-N 274.364 3.541 30 20 CHED N#Cc1cc(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccn1 329969382 UMRWYOXIEIUJEP-GZBFAFLISA-N 283.375 3.617 30 20 CHED CCCc1nc(C)c(C(O)=Nc2scnc2C)s1 331024397 VDILMMFPIYTFFP-UHFFFAOYSA-N 281.406 3.805 30 20 CHED Cc1cccc(C(=O)Nc2cccc(C#N)c2C)c1F 334834252 PAEPVJJJEWYYLF-UHFFFAOYSA-N 268.291 3.567 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 335584545 YOAPVYIYSGQNBZ-LLVKDONJSA-N 291.782 3.670 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CCCCS1 336283523 WCBGRUBNODBLJO-CYBMUJFWSA-N 294.807 3.630 30 20 CHED N#C[C@H]1CCC[C@@H]1NC(=O)c1occc1-c1ccc(F)cc1 336380848 KWEFXWGJCXFGED-DOMZBBRYSA-N 298.317 3.508 30 20 CHED N#Cc1cccnc1NCCCc1c[nH]c2ccc(F)cc12 336897579 OPDNJLAZSYWYQQ-UHFFFAOYSA-N 294.333 3.618 30 20 CHED CCC[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c1ccccn1 339281134 IKSXJQIRODMXRW-VKJFTORMSA-N 299.418 3.554 30 20 CHED C=CCC(C)(C)CN[C@@H](Cc1ccccn1)c1cccnc1 340424973 BDPYYZIEVINAMZ-SFHVURJKSA-N 295.430 3.952 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(C#N)cc1 341243653 RFJYYFHDCWPFFB-VXGBXAGGSA-N 259.353 3.504 30 20 CHED CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 341487419 PCJAUPFQCHSUHQ-SMDDNHRTSA-N 262.740 3.586 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H]1CCCc2sccc21 341619025 FPRLIXCYYLXUNY-DGCLKSJQSA-N 263.406 3.639 30 20 CHED C=CC[C@@H](CO)CN[C@@H](CC)c1ccc(OC(F)F)cc1 341892200 WHBXXGNXVJDFEM-DOMZBBRYSA-N 299.361 3.513 30 20 CHED CC(C)(C#N)CCSCc1nnc(C2CC2)n1C1CC1 342026671 VKRPNCQWZBLUMJ-UHFFFAOYSA-N 290.436 3.663 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 342150112 JKSNYHZFGXLKQJ-UHFFFAOYSA-N 293.351 3.867 30 20 CHED CCN(Cc1ccc(CC#N)cc1)Cc1cccs1 342691322 COQUQMHNTVCCQW-UHFFFAOYSA-N 270.401 3.836 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(OC)c(F)c1 342695710 ITLHHNCLMNVKPB-UHFFFAOYSA-N 295.354 3.536 30 20 CHED C[C@@H](NCC1(C#N)CC1)c1ccc2ccccc2c1 343583219 MIKPJTPUSCCCKQ-CYBMUJFWSA-N 250.345 3.794 30 20 CHED Cc1csc(CN[C@@H](C)c2ccc(C#N)cc2)c1 344620974 ZPQWNIDHJWLYTO-LBPRGKRZSA-N 256.374 3.779 30 20 CHED CSc1ccc(F)cc1CNCC(C)(C)CCC#N 344717892 SDZVWILCCOOUQH-UHFFFAOYSA-N 280.412 3.967 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)CCC1 345534989 YBEJKWRMLVTCLB-GJZGRUSLSA-N 273.351 3.544 30 20 CHED C=CCSCc1ccc(Oc2ccccc2)nn1 345834005 GXFHZQAHDKBWOI-UHFFFAOYSA-N 258.346 3.688 30 20 CHED C[C@H](NCc1ccccc1)c1ccc(C#N)c(F)c1 346091508 YBTPXVQHOLRERC-LBPRGKRZSA-N 254.308 3.548 30 20 CHED N#C[C@H]1CC[C@H](NCc2ccc(-c3ccccc3)o2)C1 349793497 WCNFQTLHYVRZHI-ZFWWWQNUSA-N 266.344 3.728 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)CC[C@H](C)CC 350075684 MTDKXZUHESXSHB-GFCCVEGCSA-N 274.364 3.722 30 20 CHED C=CCCCCNC(=O)N[C@H]1CCCc2sccc21 351695881 ZOVHPBCCVBJADQ-ZDUSSCGKSA-N 278.421 3.781 30 20 CHED N#Cc1csc(CN2CCC[C@H](Oc3ccccc3)C2)c1 352336901 BEYCHJOUZQSKIT-INIZCTEOSA-N 298.411 3.663 30 20 CHED C=CCC(C)(C)CNC(=O)c1cn(-c2ccccc2)nc1C 352533939 BIPXRENAFAUQEP-UHFFFAOYSA-N 297.402 3.513 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H]1CCCc2sc(C)nc21 352540633 NQKBTYGTMOJJOZ-LBPRGKRZSA-N 292.448 3.590 30 20 CHED C=CCC[C@H](NCc1c(C)cnn1C)c1ccccc1 352756718 CQALQXWLJZDFLN-INIZCTEOSA-N 269.392 3.526 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)Nc1cc(C#N)ccc1NC1CC1 355628140 MLINWMPSMUDSIU-JSGCOSHPSA-N 297.402 3.897 30 20 CHED C=CCCC1(C(=O)Nc2cc(-n3cccn3)ccc2C)CC1 357030015 SEGKAXSBHLEWME-UHFFFAOYSA-N 295.386 3.866 30 20 CHED C=C(CC)CSCC(=O)N[C@@H](C)c1ccccc1OC 358639042 XROMJVKPYZTTDW-ZDUSSCGKSA-N 293.432 3.572 30 20 CHED C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCCCO1 360876018 YCXUGFLALKBERR-ZOCIIQOWSA-N 298.430 3.873 30 20 CHED Cc1ccc2sc(C(=O)Nc3ccc(C#N)cn3)cc2c1 361855693 RLUOKMYTPRVXRG-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CSCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 369803973 QJMAVPBTBLDADB-HZPDHXFCSA-N 274.433 3.511 30 20 CHED C=CCC[C@@H](NCc1cnc2n1CCCC2)c1ccco1 375802856 XJFPGNOLHWHDEE-OAHLLOKOSA-N 285.391 3.610 30 20 CHED CC[C@H](N[C@@H](C)CC#N)c1ccc(Br)cc1 379437019 HXOMMAWTKLRILE-GWCFXTLKSA-N 281.197 3.792 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccc(F)c(C#N)c2)c1 380114588 JKZFRSSUHWALIC-UHFFFAOYSA-N 286.693 3.801 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)CCC(C)(C)C 386278919 QMZZIRMZDRSCOG-LBPRGKRZSA-N 252.402 3.647 30 20 CHED CC[C@H](Nc1cccc(OCC#N)c1)[C@@H]1CC1(C)C 397734232 YZVFSOASXHCVOE-GJZGRUSLSA-N 258.365 3.826 30 20 CHED C=CCCC[C@H](C)NCc1nn(CC)c2ccccc12 398205579 XYMLPVPGBHWCGX-AWEZNQCLSA-N 271.408 3.891 30 20 CHED C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1csnn1 398314487 CJQKZQKRDVRYGY-ZETCQYMHSA-N 298.293 3.602 30 20 CHED C[C@H]1CCC[C@@H](N(C)Cc2ccc(CC#N)cc2)C1 398997237 QBVMWROSLHAVFQ-WMLDXEAASA-N 256.393 3.763 30 20 CHED N#CCc1ccc(COc2cc(Cl)ccc2C#N)cc1 399006189 YKKCPRDHTPUWRK-UHFFFAOYSA-N 282.730 3.857 30 20 CHED CCCCNc1ccccc1C(=O)NCC(C)(C)CC#N 412424974 WMKGDNIZIOSEEN-UHFFFAOYSA-N 287.407 3.568 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 412886604 VUJZSJTUEXPJPM-QILLFSRXSA-N 287.403 3.517 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)Nc1nc(C)c(C)o1 414421156 YQJBDHZZBXUCPF-OAHLLOKOSA-N 299.374 3.600 30 20 CHED CC(C)(C#N)CCCCOc1ccc2c(c1)OCCC2=O 416932302 OAIIHOMOTKSFDW-UHFFFAOYSA-N 287.359 3.751 30 20 CHED Cc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc(C)c1F 424335551 WXDFETLZWFUDLD-VNHYZAJKSA-N 260.356 3.785 30 20 CHED C=CCC(C)(C)c1nc(CCCSCC)no1 426565565 OAFZGFJAADCHIM-UHFFFAOYSA-N 254.399 3.609 30 20 CHED C=CC[C@@H](C(=O)Nc1ccc(O)cc1F)c1ccccc1 428037919 VPBFTPTXFLDQAM-CQSZACIVSA-N 285.318 3.830 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2[nH]c(C)c(C)c2c1 428042785 DDUJGYNFOSMDAS-OAHLLOKOSA-N 282.387 3.965 30 20 CHED C=C(C)CNC(=O)C1(c2ccc(F)cc2)CCCCC1 428107750 NIZRINCDDMRTKS-UHFFFAOYSA-N 275.367 3.720 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccccc1OC(C)C 429803025 PKAZIDLPLISPIV-UHFFFAOYSA-N 275.392 3.692 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ccc(C)cc1OC 432753680 FAUPHIOIJNBOCW-UHFFFAOYSA-N 276.380 3.727 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)Cc1ccc(C(C)C)cc1 435393373 JKJHUZUYKULZLQ-UHFFFAOYSA-N 296.370 3.855 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccccc1C(F)(F)F 435738743 UEDSBFYQLIAXKR-DZGCQCFKSA-N 299.336 3.776 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C(C)(C)C1 437817335 BUCIEJHGGUHSOP-NSHDSACASA-N 294.345 3.780 30 20 CHED CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1 438486313 XVRJQHLKSIQTBF-CYBMUJFWSA-N 270.298 3.625 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(F)cc2OCC(F)F)C1 442825473 MVKGWFOMFNNWRM-GXSJLCMTSA-N 284.281 3.574 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H](C)NC(C)(C)CC)CCCC1(C)C 444629014 BWRRTXYAPWGLOX-HUUCEWRRSA-N 294.483 3.746 30 20 CHED CC[C@H](N[C@H](CC)c1ccc(C#N)cc1)C1CCOCC1 447527823 GBEIZDSJBVYDDD-MSOLQXFVSA-N 286.419 3.804 30 20 CHED N#Cc1ccc(SCC#Cc2cccc(Cl)c2)nc1 448097220 NFLWIZXGUMGXBA-UHFFFAOYSA-N 284.771 3.750 30 20 CHED C=C(C)CCNC(=O)Cc1c(Cl)cccc1Cl 448550414 AIVYUXKMUPATHS-UHFFFAOYSA-N 272.175 3.618 30 20 CHED C=CCCCC[C@H](C)NC[C@@H]1COc2ccccc21 449329407 OCHORPUMQVFQSJ-LSDHHAIUSA-N 259.393 3.887 30 20 CHED CC(C)CC(CC(C)C)C(=O)NC1(C#N)CCSCC1 450363125 IKRLHAYOQXCBMG-UHFFFAOYSA-N 296.480 3.600 30 20 CHED C=CCC1(C(=O)NCC2(OC)CCCCC2)CCCC1 450712715 FEFHEPJAAMBGBT-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=CCC[C@H](C(=O)N[C@@H](CC)C(F)F)c1ccccc1 452267227 UQKRUCMRBWVXRB-KBPBESRZSA-N 281.346 3.896 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc(OC(C)(C)C)cc2)no1 453099029 QETMVOZKAIDVAR-DIFFPNOSSA-N 297.358 3.715 30 20 CHED C=C(C)CN(CC)C(=O)c1nc2cc(Cl)ccc2s1 454139405 DEJHPONPOMFRCY-UHFFFAOYSA-N 294.807 3.988 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(SC)c1C 455058257 HHPHGFUDXPWJPD-UHFFFAOYSA-N 264.394 3.805 30 20 CHED CC1(C)CCC[C@H](CNC(=O)c2ccc(CC#N)cc2)C1 456895447 CCRNDNYUIFDABU-HNNXBMFYSA-N 284.403 3.699 30 20 CHED C=CCCCC(=O)Nc1cc(OC)c(Cl)c(OC)c1 458211260 AMKRPXBVDKOWQK-UHFFFAOYSA-N 283.755 3.652 30 20 CHED C=CCCCCNC(=O)N1CC(c2cccc(Cl)c2)C1 458686049 WPTUUVOKUCIUEM-UHFFFAOYSA-N 292.810 3.805 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@H]2CCC[C@H]2CC)s1 460018625 JHITZDBAEDKUFI-MFKMUULPSA-N 276.405 3.947 30 20 CHED C=CCCN(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 466390120 ULHCRECABIVDSO-UHFFFAOYSA-N 283.331 3.669 30 20 CHED CC#CCCCC(=O)N[C@H](C)[C@@H](C)C1CCCCC1 466433911 LODSOFMGIWHXJW-HUUCEWRRSA-N 263.425 3.901 30 20 CHED CC#CCCCC(=O)Nc1ccc(-c2ccc[nH]2)cc1 466870190 JVBNKSJIBCUTED-UHFFFAOYSA-N 266.344 3.814 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2ccc(F)cc2n1CC 467924213 IADRPZIVWCOWRK-INIZCTEOSA-N 289.354 3.736 30 20 CHED C=CCCCCNC(=O)c1cc2ccc(Cl)cc2[nH]1 474676973 NUMNMDCTQIODKP-UHFFFAOYSA-N 276.767 3.907 30 20 CHED C=CCCCCNC(=O)[C@@H](C)c1cn(C)c2ccccc12 476301787 GPDFYBWTBQQKOP-AWEZNQCLSA-N 284.403 3.754 30 20 CHED C=CCCC1(C(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 476302248 RTGBSWAVQWLGMK-JJRVBVJISA-N 299.414 3.802 30 20 CHED C=C1CCN([C@H](C(=O)OCC)c2cccc(Cl)c2)CC1 483940245 DFFGJFHOBQNZQY-HNNXBMFYSA-N 293.794 3.596 30 20 CHED COc1ccc([C@@H](N=c2ccc(C#N)c(C)[nH]2)C(C)C)cc1 487943101 KGZFLEDVSVEPHO-SFHVURJKSA-N 295.386 3.501 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCSc1ccc(F)cc1 488831273 GWPXUXHZOYXQSZ-AWEZNQCLSA-N 293.407 3.875 30 20 CHED CCCc1csc(CNc2ccc(C#N)cc2)n1 492255546 DOWTXADVBPFGGZ-UHFFFAOYSA-N 257.362 3.579 30 20 CHED COc1ccc(C#N)cc1N[C@@H](C)c1ccccc1F 493837074 SQOOEDQHTPYGDK-NSHDSACASA-N 270.307 3.879 30 20 CHED CCOC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 494467170 FCBIPHWGRJATMX-UHFFFAOYSA-N 296.326 3.706 30 20 CHED C=CCN(C)Cc1ccc(-c2ccccc2C#N)cc1 494627203 WSQKACZQWKDANT-UHFFFAOYSA-N 262.356 3.843 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H]1CCCC[C@@H]1C 498120427 CYZMYVRUBQEZNC-HOCLYGCPSA-N 290.407 3.598 30 20 CHED CC(C)CC[C@H](NC(=O)CC(C)(C)C#N)C(C)(C)C 498356704 VBNGMJOHMRTMLC-ZDUSSCGKSA-N 266.429 3.893 30 20 CHED C=C(C)CCc1noc(CCc2ccnc3ccccc23)n1 508598239 FXKSBZUXEQECAG-UHFFFAOYSA-N 293.370 3.912 30 20 CHED C=C(C)CCN1CCN(c2cccc3cnccc23)C[C@H]1C 510797564 NLSYGGOXFPVZRX-MRXNPFEDSA-N 295.430 3.712 30 20 CHED CC[C@H](C)CCC(=O)N[C@H](C#N)c1ccccc1Cl 512280851 XYMCEILREPYLAU-SMDDNHRTSA-N 278.783 3.847 30 20 CHED CC1CCN([C@@H](CNc2ccc(C#N)cc2)C(C)C)CC1 513167710 VWIJXYPYZUGTKU-SFHVURJKSA-N 285.435 3.727 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@H](N(C)C)C1)c1ccco1 514805013 ITTRZIJDBMBAEC-JYJNAYRXSA-N 276.424 3.749 30 20 CHED CC1=C(C(=O)NCc2ccc(CC#N)cc2)CCC(C)(C)C1 516068621 JEOQQIBVBODJES-UHFFFAOYSA-N 296.414 3.895 30 20 CHED C=C[C@H](CC(=O)N1CC(C2CCC2)C1)c1ccccc1 517252278 FYQYLGQKBUTPMT-CQSZACIVSA-N 269.388 3.605 30 20 CHED CC(C)CC[C@H](NC(=O)c1ccc(C#N)cn1)C(C)(C)C 522342976 YCMDHVXVMDVXDZ-HNNXBMFYSA-N 287.407 3.534 30 20 CHED C=CC[C@@H](C)NC(=O)CCSc1ccc(C)c(C)c1 522643288 ODDWQDAAQATWLV-CQSZACIVSA-N 277.433 3.866 30 20 CHED Cc1ccc2[nH]c(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)cc2c1 522648356 HQACDSSHYJZVOK-ACJLOTCBSA-N 295.386 3.679 30 20 CHED C=CCOCCCOc1ccc(Cl)cc1C(=O)CC 527245120 HIXBAWADSMXBIN-UHFFFAOYSA-N 282.767 3.904 30 20 CHED C=CC1CCN(C(=O)Cc2coc3ccc(C)cc23)CC1 528517232 DCSNBDBHVYPGOH-UHFFFAOYSA-N 283.371 3.708 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@@H](C)[C@H]1C1CC1 529493391 XNXUPNQVBUBMRI-HNONPPJISA-N 283.415 3.582 30 20 CHED C=CCCC1(C(=O)Nc2csc(-c3ccccn3)n2)CC1 530289385 BDQCPUPIATZEOA-UHFFFAOYSA-N 299.399 3.890 30 20 CHED CC1(C)Cc2cccc(NCc3cc(C#N)cs3)c2O1 530492552 PTFKMYTUMIJZHQ-UHFFFAOYSA-N 284.384 3.945 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(CC#N)cc1 534041558 BQWPYXJPWIPSEJ-WBVHZDCISA-N 284.403 3.793 30 20 CHED C=CCn1c(SC2CCC2)nnc1-c1ccccc1 534481595 FGFZXWGTYDQSQF-UHFFFAOYSA-N 271.389 3.776 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1sccc1C 538287425 YYJSIIOQMCMQPH-LBPRGKRZSA-N 266.410 3.601 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 538323164 IJQAGRSGAOIHJI-ISWURRPUSA-N 293.838 3.954 30 20 CHED C=CCCC[C@@H](C)NC(=O)CSc1ccc(C)cc1 538336509 XBTSTYGPENBJMV-CQSZACIVSA-N 277.433 3.948 30 20 CHED C=CCCOCCN[C@@H]1C[C@@H](C)c2c(C)cccc21 540151706 SWPKALNQIKSFHJ-GDBMZVCRSA-N 259.393 3.726 30 20 CHED C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)CCC[C@H]1C 540467754 VOZPLZKHYVLAID-ZETOZRRWSA-N 290.794 3.766 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCC1CCC(OC)CC1 543467118 AEHQQMAKKLERGV-FHERZECASA-N 296.455 3.626 30 20 CHED C[C@H](C#N)CNC[C@@H](C)Cc1ccc(C(C)(C)C)cc1 543624571 ULCHFIIRCYMDDU-LSDHHAIUSA-N 272.436 3.912 30 20 CHED Cc1cccc([C@@H]2CCN(Cc3cccc(C#N)c3F)C2)c1 544191952 LUIHFNHBRQWICM-QGZVFWFLSA-N 294.373 3.995 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@H]2CC3CCC2CC3)cc1 552164702 JKVAXTHWIPDYAE-RLNQZENFSA-N 296.414 3.756 30 20 CHED N#Cc1ccnc(NCCCc2ccccc2F)c1Cl 553224174 QPFLMSIEGYWTPC-UHFFFAOYSA-N 289.741 3.790 30 20 CHED N#Cc1cc(NCCc2cccc(Cl)c2Cl)ccn1 553298815 NOYAASCLOMXVPY-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CCCc1ccc([C@@H](NCCOCCC#N)C(C)C)cc1 555405339 POIZKUXSOWZQRW-SFHVURJKSA-N 288.435 3.856 30 20 CHED C=C(C)CCc1noc(-c2cc3ccccc3n2C)n1 556806170 QFZKWGSRKBPNOL-UHFFFAOYSA-N 267.332 3.737 30 20 CHED Cc1cc(C#N)nc(N[C@H](C)c2cc3cccc(F)c3o2)n1 557684553 LJPPIKFOUDFTAT-SNVBAGLBSA-N 296.305 3.715 30 20 CHED C=CC(C)(C)C(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 560086135 XDOSCEGZNPWQRG-QGZVFWFLSA-N 285.431 3.988 30 20 CHED CC1(C)CC[C@H](CNC[C@H](C#N)CCC#N)c2ccccc21 560597564 IHUUNSMGOSPIHK-JKSUJKDBSA-N 295.430 3.875 30 20 CHED CCc1cccc2c(CCNc3ccnc(C#N)c3)c[nH]c12 561193038 DEJVDUVJGWGYQW-UHFFFAOYSA-N 290.370 3.652 30 20 CHED CC1(C)CC(CNC(=O)Nc2ccc(C#N)c(Cl)c2)C1 562538503 QSAICWQLHIKZEC-UHFFFAOYSA-N 291.782 3.769 30 20 CHED CCSCc1ccccc1C(=O)N(CC)C[C@@H](C)C#N 562599950 HTFSVQUOOYBQIT-ZDUSSCGKSA-N 290.432 3.561 30 20 CHED C=CCCCN(C)c1ncnc2ccc(SC)cc12 564049418 ZFKLEZMJDGRYAC-UHFFFAOYSA-N 273.405 3.754 30 20 CHED CCCC[C@H](C)N(C)C(=O)C1(c2cccc(C#N)c2)CC1 564595729 BYKYSUFRHQUQNV-AWEZNQCLSA-N 284.403 3.627 30 20 CHED N#Cc1c(F)cccc1SCc1cccc([N+](=O)[O-])c1 565356977 WZPXFUNYBBFYQA-UHFFFAOYSA-N 288.303 3.898 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N[C@H](C#N)C(C)(C)C 566036270 ZUDJMNUBQJIFGQ-VXGBXAGGSA-N 252.402 3.503 30 20 CHED CC1(C)CCCN(Cc2cccc3[nH]ccc23)[C@@H]1C#N 571729931 APMFDXJEWSOUSM-MRXNPFEDSA-N 267.376 3.682 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)C1 574032373 VGXPQEFQNJHDDV-VOZQYIJBSA-N 294.757 3.596 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1cc2cc(C)ccc2s1 574123404 BAHWXAJFIGDYPQ-LBPRGKRZSA-N 286.400 3.832 30 20 CHED Cc1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)ccc1-c1ccncc1 574523800 KEXKWKPFBVZWFY-UGSOOPFHSA-N 291.354 3.545 30 20 CHED COc1cccc2c(N3CCC(CCC#N)CC3)nccc12 578743574 JJXKHCOKMWLSKL-UHFFFAOYSA-N 295.386 3.764 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(CCC#N)CC1 578885089 DKHDLOISKHVVTL-AWEZNQCLSA-N 293.455 3.927 30 20 CHED CC(C)[C@@H]1C[C@@H](CNC(=O)[C@]2(C#N)C[C@H]2C)c2ccccc21 581767560 POZPHYJMXVYTEE-BDFQZXNOSA-N 296.414 3.579 30 20 CHED CC(C)CSCCCN1CCC(CCC#N)CC1 582298940 KIMFZUGXZARPRO-UHFFFAOYSA-N 268.470 3.781 30 20 CHED CC[C@H]1[C@H](C)CCN1C(=O)Nc1scc(C)c1C#N 582368169 ZHLVYIBJGCHKBH-SKDRFNHKSA-N 277.393 3.581 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1CC(C)(C)C1 584466146 WIEAVHBQUYUALM-ZDUSSCGKSA-N 299.418 3.697 30 20 CHED C=CCOc1ccc(C(=O)NC2(c3ccccc3)CC2)cc1 588066954 NYIZREBEZYONRJ-UHFFFAOYSA-N 293.366 3.671 30 20 CHED CC(C)CN(C(=O)CCCCCC#N)C1CCCC1 588648215 IOKXISQJHHSIAC-UHFFFAOYSA-N 264.413 3.888 30 20 CHED CCN(C(=O)CCCCCC#N)c1ccc(F)c(F)c1 588860782 LQLTZWOSFMJLDY-UHFFFAOYSA-N 280.318 3.792 30 20 CHED C=C(CNCc1cccc2cc[nH]c12)c1ccccc1 589646426 SVECVHNCDPSLIL-UHFFFAOYSA-N 262.356 3.971 30 20 CHED C=CCCCCNc1cc(C[S@@](C)=O)ccc1Cl 590777669 FAGROEXVHPBWJB-GOSISDBHSA-N 285.840 3.987 30 20 CHED CC(C)CCCCC(=O)N[C@H](C)c1cccc(C#N)c1 590906394 WXTXMMMBYIWZTL-CQSZACIVSA-N 272.392 3.952 30 20 CHED CCCC[C@H](NC(=O)[C@@H](C#N)CC)c1ccc(OC)cc1 593451570 LRZXVXVZMQOXHF-CJNGLKHVSA-N 288.391 3.592 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@H]1c1cccc(C)c1C 593483330 XCGZDJMEUFYYLL-ZBFHGGJFSA-N 270.376 3.517 30 20 CHED CC[C@H](C#N)N(C)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 594084875 FFZMFAKWZXYGKS-SWLSCSKDSA-N 292.810 3.669 30 20 CHED COc1cccc2c(N3CCC[C@@H](CC#N)C3)cc(C)nc12 596327741 BHVQGRPINVMHBF-AWEZNQCLSA-N 295.386 3.682 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1C(F)(F)F 599243892 DPRYZCXXHXOBJA-CQSZACIVSA-N 298.308 3.682 30 20 CHED Cc1ncc([C@@H](C)Nc2ncc(Cl)c(C)c2C#N)s1 601228579 PCACBABDKFUHPH-MRVPVSSYSA-N 292.795 3.853 30 20 CHED Cc1ccc2sc(NC(=O)CCCC#N)nc2c1C 601792226 RKKDLVBWOLZSQY-UHFFFAOYSA-N 273.361 3.546 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc2ccccc2n1C1CC1 602298626 YDPQWJWJHHFIPW-UHFFFAOYSA-N 296.374 3.640 30 20 CHED Cc1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1 602493775 LIAKHEKKNBYWOT-CQSZACIVSA-N 258.365 3.506 30 20 CHED C[C@H](CCC#N)CNCc1ccc(Br)s1 602506982 MHNKZMPJJSHEHJ-SECBINFHSA-N 287.226 3.540 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCC[C@H]1C[C@H]2CC[C@H]1C2 602531039 VSQGQXNPFLCZOO-QAETUUGQSA-N 290.451 3.501 30 20 CHED CC(C)[C@@H]1CCC[C@@H](N[C@H](C)CC2(C#N)CCOCC2)C1 602543331 BFWFQKLZPIPXAH-BRWVUGGUSA-N 292.467 3.890 30 20 CHED C[C@H](CCC#N)CN[C@@H]1C[C@H]1c1c(F)cccc1Cl 602692743 YMWJVNSQLDNUQQ-JTNHKYCSSA-N 280.774 3.864 30 20 CHED CC(C)CN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 603529942 ZLHIWPWKJJZRMA-BQFCYCMXSA-N 296.414 3.983 30 20 CHED C=CCCNc1cc(Cl)ccc1OCCOCC 607149957 GATKFEQTHAOHMD-UHFFFAOYSA-N 269.772 3.743 30 20 CHED C[C@@H](C(=O)NCCCCC#N)c1ccccc1C(F)(F)F 610227572 NDGYDIODQYTUAA-LLVKDONJSA-N 298.308 3.619 30 20 CHED C[C@H](NC(=O)NCCCC1CCCC1)c1cccc(C#N)c1 610347454 WXJZUNZJCUGPOY-AWEZNQCLSA-N 299.418 3.889 30 20 CHED Cc1ccc(C#N)nc1NCCCO[C@@H](C)c1ccccc1 611398832 HXVLOZHWOGXJMM-HNNXBMFYSA-N 295.386 3.842 30 20 CHED C[C@H](NC(=O)[C@H]1CCCC1(C)C)c1cccc(C#N)c1 613884885 VSFHENSIMOEYHQ-SWLSCSKDSA-N 270.376 3.562 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)CCC 615613446 WZOZKXGJLVHMPO-ZDUSSCGKSA-N 278.371 3.712 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2cccs2)CCCC1 619108339 SPEUAKBFAKNEDK-LBPRGKRZSA-N 263.406 3.857 30 20 CHED C=CCN(Cc1ccccc1C(F)(F)F)[C@H](C)COC 621317735 WRMVUQNKYCJHDL-GFCCVEGCSA-N 287.325 3.728 30 20 CHED C=C(C)COc1cc(CNC[C@H](C)C2CC2)ccc1OC 622267232 QRHPYWZXBBIPQJ-AWEZNQCLSA-N 289.419 3.786 30 20 CHED C=CCCOCc1nc([C@@H]2CCCC[C@H]2CC)no1 645655259 YTXUBLGLXKPGEV-CHWSQXEVSA-N 264.369 3.846 30 20 CHED N#C[C@H](C(=O)c1cccs1)c1nc(C2CC2)cs1 647371725 XJTRGPBTLLHKFM-SECBINFHSA-N 274.370 3.572 30 20 CHED C=CCC(C)(C)CNC(=O)N1Cc2cc(F)c(F)cc2C1 654573403 CRAGPYWVWXNONB-UHFFFAOYSA-N 294.345 3.592 30 20 CHED C=CCn1c(SCc2cc(C)nn2C)nc2ccccc21 657226226 NIPLBXCMIYJCHA-UHFFFAOYSA-N 298.415 3.557 30 20 CHED C=CCCNC(=O)N(C)CCc1cccc2ccccc12 661570752 KGINCHKAIXPRCW-UHFFFAOYSA-N 282.387 3.600 30 20 CHED C=CCN(Cc1nc(-c2cccs2)no1)C(C)(C)C 661754852 DIHPJOIIMBHFID-UHFFFAOYSA-N 277.393 3.585 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc3cc[nH]c23)C1 666792287 LAQGITVPJHZSJK-ZDUSSCGKSA-N 283.375 3.988 30 20 CHED C=C(C)CCc1noc(C[C@@H]2CCc3ccccc32)n1 671670952 UPQBPKAXBRXMFW-AWEZNQCLSA-N 268.360 3.851 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C)nc1 676266452 ONJUTKBBGZAISL-UHFFFAOYSA-N 299.349 3.749 30 20 CHED C=CCCC[C@H](C)NC(=O)COc1cc(C)ccc1Cl 678881621 PYWDCYVACFZGDY-ZDUSSCGKSA-N 295.810 3.888 30 20 CHED C=C(C)CN(C)c1noc2ccc(Br)cc12 685912745 QZQCWPSDZOGKTL-UHFFFAOYSA-N 281.153 3.603 30 20 CHED CCC[C@H](Cc1ccccc1)/N=C/c1cccc(O)c1O 727781340 JWXJCWPGRZYJBG-CXDFQFJYSA-N 283.371 3.928 30 20 CHED Cc1cc(C(=O)/C=C/c2cccc(F)c2)ccc1O 728232483 UJJTUPSGIHCFHN-FNORWQNLSA-N 256.276 3.736 30 20 CHED Cc1cc(C)cc([C@@H](C)/N=C\c2ccc(O)c(O)c2O)c1 730434103 FWMSQLDRJJHAOV-HALGXTDHSA-N 285.343 3.600 30 20 CHED C=CC1CCN(C(=S)Nc2c(C)cccc2C)CC1 731943420 YLBQVGCKHMVVQO-UHFFFAOYSA-N 274.433 3.898 30 20 CHED Cc1cc(C)nc(NN=C2CCC[C@H]2c2ccccc2)n1 732526943 ABYYHGCHIFCMJO-HNNXBMFYSA-N 280.375 3.829 30 20 CHED C#Cc1ccc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)nc1 732939404 ABKVTSNWUAQIIK-SFHVURJKSA-N 292.382 3.532 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)/C=C\c1ccccc1C#N 733945623 ZXHRDPQFLQJUQQ-BOGIFKDDSA-N 296.414 3.904 30 20 CHED C=CC[C@@H](NC(=O)C[C@H](CC)C(C)C)c1ccncc1 734457472 JZZDRHWPJUBCPW-GOEBONIOSA-N 274.408 3.887 30 20 CHED CC(=NNc1ccccc1Br)c1cncs1 734746509 MCVZKIRNZMURPO-UHFFFAOYSA-N 296.193 3.742 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCCc2nc(C)ncc21 734793114 GDFOYHOEDQHSJJ-MRXNPFEDSA-N 289.423 3.639 30 20 CHED O=C(/C=C/c1ccc(F)cc1)c1ccc2c(c1)COC2 742433919 ATXJIRBJKXLOGV-FPYGCLRLSA-N 268.287 3.752 30 20 CHED C[C@H]1CC(=NNC2CCCC2)c2ccsc2S1 743438807 QXOAIGREOXCMPD-VIFPVBQESA-N 266.435 3.869 30 20 CHED Cc1cc([C@H](C#N)C(=O)C2CCCCCCC2)nc(C)n1 744025633 FJPXJINXSLEKIJ-HNNXBMFYSA-N 285.391 3.630 30 20 CHED N#Cc1cccc(COC(=O)c2cnc3ccsc3c2)c1 744119302 NPZYDZRQSSQBGB-UHFFFAOYSA-N 294.335 3.525 30 20 CHED CC(=NNc1nc(-c2ccncc2)no1)C1C(C)(C)C1(C)C 746575305 DZQSXVMSPMTONM-UHFFFAOYSA-N 299.378 3.602 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c1 746806949 JYWZBCIEJGRUKA-CABCVRRESA-N 292.382 3.982 30 20 CHED O=C(/C=C/C=C\c1ccc(F)cc1)c1ccc(O)cc1 747698762 NGWBDUGKTDCVFG-HSFFGMMNSA-N 268.287 3.984 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)c1ccc(CC)cc1 748240666 RLJPECKHUGYVKZ-ZDUSSCGKSA-N 274.360 3.720 30 20 CHED Cc1cc(NN=C2c3cccc(F)c3CC[C@@H]2C)nc(C)n1 748249461 YZRVAINWRKBHNK-JTQLQIEISA-N 298.365 3.631 30 20 CHED CC[C@@H](C)NC(=S)N(CC)[C@H](C)c1ccc(C#N)cc1 749763972 BPTVYIVWTXCWCD-CHWSQXEVSA-N 289.448 3.614 30 20 CHED N#Cc1csc(C(=O)Oc2cccc3c2CCCC3)c1 752196434 CDGTVTYTRDFZHL-UHFFFAOYSA-N 283.352 3.718 30 20 CHED CC(=Nn1cc(Br)cn1)[C@H](C)c1ccccc1 752745585 DQMSESUUKGGWIB-JTQLQIEISA-N 292.180 3.673 30 20 CHED C=CCCCCCCCNC(=O)[C@H](C)c1ccccn1 752985294 OGLGPJQWILGRPC-OAHLLOKOSA-N 274.408 3.828 30 20 CHED CCCCCCCCCCNC(=O)N1CC[C@H]([C@H](C)O)C1 753217087 ZBVAGTIGQFZPQI-HOTGVXAUSA-N 298.471 3.539 30 20 CHED C#C[C@H](CC)NC(=O)N1CCCC2(CCCCCC2)C1 753247645 NXHOBISRSBTYOK-OAHLLOKOSA-N 276.424 3.544 30 20 CHED C#CCCCCCC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 754520224 NKJIBLGMFKANNL-NVXWUHKLSA-N 284.403 3.575 30 20 CHED C(=NNc1nncc2ccccc12)[C@@H]1C[C@@H]1c1ccccc1 755491642 UTSAIEONBUYBJM-DOTOQJQBSA-N 288.354 3.831 30 20 CHED Clc1cccnc1NN=C[C@H]1CCc2ccccc21 755656994 XXBXAJLPMKZMFK-GFCCVEGCSA-N 271.751 3.863 30 20 CHED COc1ccccc1/C=C\C(=O)c1ccc(C)cc1O 757477015 WTSFONPKGJKLQM-NTMALXAHSA-N 268.312 3.605 30 20 CHED CCC(CC)(CC)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 761004641 XQYUGERMXKFRDO-CYBMUJFWSA-N 297.402 3.966 30 20 CHED Cn1cnc2cc(/C=C3/CCc4ccccc4C3=O)ccc21 761201318 PKTVRUNPZNTWRI-GDNBJRDFSA-N 288.350 3.786 30 20 CHED N#Cc1ccc(Cl)cc1OC[C@@H]1CC1(Cl)Cl 761867466 SZWLIRRHYNJQQD-QMMMGPOBSA-N 276.550 3.784 30 20 CHED C#CCCc1noc([C@@H](C)c2ccc3ccccc3c2)n1 762010049 ZOKKMYCARKPNHV-ZDUSSCGKSA-N 276.339 3.940 30 20 CHED CO[C@H](C)C(C)=NNc1nc(-c2ccccc2)cs1 763157665 UXVRLUSCDBVQSE-LLVKDONJSA-N 275.377 3.633 30 20 CHED CC#CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 763975922 CRHFCIHZYPXWJV-UHFFFAOYSA-N 276.339 3.776 30 20 CHED C=CCC[C@H](CCC)NCC(=O)Nc1ccc(F)c(F)c1 764600960 RLPVLQDDMXOQDJ-LBPRGKRZSA-N 296.361 3.628 30 20 CHED CC1(C)C(=NNCc2ccc(Cl)cc2)[C@@H]2CCCO[C@H]21 764719525 ZJCMCYBNAAATSA-DZGCQCFKSA-N 292.810 3.621 30 20 CHED CSc1ccc(C=NNCCc2ccccc2F)cc1 764721783 JJMYXEAESQCKHF-UHFFFAOYSA-N 288.391 3.714 30 20 CHED C[C@H]1CCCC(=NNCc2cnc3ccccc3c2)C1 764777394 AXYWJCCRUBNBAB-ZDUSSCGKSA-N 267.376 3.891 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1ccc(N2CCCC2)cc1 764903465 UGHUXRNSDMNNOL-CVEARBPZSA-N 272.436 3.977 30 20 CHED Cc1cc(OC(=O)[C@@H](C)c2ccsc2)ccc1C#N 765113124 LRBOSSXKTOZRIG-NSHDSACASA-N 271.341 3.637 30 20 CHED C=CCC[C@H](NC[C@@](C)(O)c1cccc(Cl)c1)C1CC1 765814655 HHAAGXMSSIHTPX-DLBZAZTESA-N 293.838 3.882 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2c(F)ccc(C)c2F)c1 766448332 PWVVGEQEELVWGL-UHFFFAOYSA-N 299.320 3.921 30 20 CHED C#CCCCN1CCC[C@@H]1c1nc2ccccc2s1 766896286 YSAGGSNEVIDSKW-CQSZACIVSA-N 270.401 3.847 30 20 CHED Cc1cc(Cl)ccc1/C=C\C(=O)c1cc(O)cc(O)c1 767358820 MOMXUHQTCAQSCY-HYXAFXHYSA-N 288.730 3.956 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccc3c(c2)COC3)c1 768295938 YVDVMOWEMPAQOX-UHFFFAOYSA-N 294.379 3.507 30 20 CHED CCN(Cc1ccccc1N1CCCCC1)C[C@H](C)C#N 768880138 CTNYSVXHSICBQH-MRXNPFEDSA-N 285.435 3.658 30 20 CHED C#CCN(C(=O)N[C@@H](C)CCC1CC1)C1CCCCC1 769558403 WMRLGRLRTHFCBQ-AWEZNQCLSA-N 276.424 3.543 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1sccc1O 769791722 SBHIKRPRKCHOLX-UHFFFAOYSA-N 286.278 3.707 30 20 CHED C=C[C@@H](CC(=O)OCc1ncc(C)s1)c1ccccc1 772027598 BEZDZKKFNFTPAF-ZDUSSCGKSA-N 287.384 3.855 30 20 CHED C#C[C@H](C)NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 772973339 WGNAOGKAVOMQHC-ZDUSSCGKSA-N 283.371 3.545 30 20 CHED CC(C)c1nccnc1NN=Cc1cccc(Cl)c1F 773086996 WELFNJSQWUHRHQ-UHFFFAOYSA-N 292.745 3.839 30 20 CHED CC(C)c1nccnc1NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 773094900 SOXFOWYFPROKLX-RFGFWPKPSA-N 284.407 3.824 30 20 CHED CCOc1cccc(/C=N\CCc2sccc2C)c1O 773150898 OTULXEXFPJVGNC-BOPFTXTBSA-N 289.400 3.822 30 20 CHED C#CCCCCC(=O)Oc1ccc(Cl)c(C)c1 773759498 GDJBGRXFPLNZDD-UHFFFAOYSA-N 250.725 3.747 30 20 CHED CC[C@](C)(NCCOc1ccccc1C#N)c1ccccc1 775395311 PCEBGTPRYGRNKH-IBGZPJMESA-N 294.398 3.852 30 20 CHED C=C(Cl)COC(=O)[C@@H]1CCc2c(Cl)cccc21 775929080 OHQRGVDIFIVRHF-LLVKDONJSA-N 271.143 3.666 30 20 CHED CC(=NOC1CCCCC1)c1nnn(-c2ccccc2)c1C 777458375 DSSFLXMKZZKRKD-UHFFFAOYSA-N 298.390 3.649 30 20 CHED COC[C@H](C)NN=Cc1sc2ccccc2c1Cl 777893637 ARSXGFHKIQZLCD-VIFPVBQESA-N 282.796 3.513 30 20 CHED CC/C=C\CCOC(=O)c1ccc(C#N)c(Cl)c1 778535564 OVDQIPJOKKGTQV-ARJAWSKDSA-N 263.724 3.725 30 20 CHED C[C@@H](COC(=O)c1c[nH]c(C#N)c1)c1cccc(Cl)c1 779237101 HTSTYKJBZBSJFD-JTQLQIEISA-N 288.734 3.500 30 20 CHED C(=NNc1ccccn1)c1ccc(Oc2ccccc2)o1 779758303 APFDSUXANFOUQN-UHFFFAOYSA-N 279.299 3.913 30 20 CHED CC(=NNc1cnccn1)c1cc2ccccc2s1 780209902 NVUKCQMMRUBVOW-UHFFFAOYSA-N 268.345 3.527 30 20 CHED COCCC1(C=NNc2cccc(C#N)c2)CCCCC1 780210793 WIPCVJAAJRJLSP-UHFFFAOYSA-N 285.391 3.943 30 20 CHED Cc1ccccc1-c1cccc(C=NN[C@H]2CCCOC2)c1 780260015 HGQBHKQOLSZOIN-SFHVURJKSA-N 294.398 3.765 30 20 CHED C=C(C)CNC(=S)Nc1ccc(C2CCC2)cc1 782420223 WHTVIFJASOZZFS-UHFFFAOYSA-N 260.406 3.817 30 20 CHED C=CCCCCCOC(=O)CCc1ccc(C#N)cc1 782599262 AJYUOHSYWFZFSU-UHFFFAOYSA-N 271.360 3.780 30 20 CHED C#CCCCCC(=O)NCC[C@@H](C)CC(C)(C)C 785613069 JYJOEAGUFADKBH-CQSZACIVSA-N 251.414 3.759 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CC(C)(COC)C1 788895125 XJNLULNEAHTRNF-OAHLLOKOSA-N 298.471 3.661 30 20 CHED C=C(C)[C@@H](NC(=S)NC1(C)CC1)c1ccc(F)c(F)c1 789298055 WZSOHSQDUSMYNA-CYBMUJFWSA-N 296.386 3.599 30 20 CHED C#C[C@H](CCC)NC(=O)N(C)[C@H](C)c1cccc(Cl)c1 791059972 XMMKJOSCLAKXQK-IUODEOHRSA-N 292.810 3.844 30 20 CHED C[C@]1(C=NNc2c(F)cccc2F)CCCS1 793015199 GMJQWGIANAYTKI-GFCCVEGCSA-N 256.321 3.648 30 20 CHED CC(CCc1ccccc1[N+](=O)[O-])=NN[C@H](C)C(C)(C)C 793114394 GJSAWYLDKDEYIR-CYBMUJFWSA-N 291.395 3.928 30 20 CHED CC(=NNCc1c(Cl)cccc1Cl)[C@@H]1CCCO1 793118077 SNFKPMHKUZNWMW-ZDUSSCGKSA-N 287.190 3.638 30 20 CHED C=CCCCCC[C@@H](C)NCc1cccc(C(=O)NC)c1 793522156 AABJOUQXWRQMAU-OAHLLOKOSA-N 288.435 3.661 30 20 CHED CC(C[C@H]1CCOC1)=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 794541102 HZQRLESMFOFBNO-PNBKFKSVSA-N 278.440 3.593 30 20 CHED C=C(Br)CSCc1ccc2c(c1)OCO2 794546320 VIKYLMJBSYECLJ-UHFFFAOYSA-N 287.178 3.557 30 20 CHED CSCCON=Cc1cc(Cl)ccc1Cl 794573362 YMEYMUXBFCXIRP-UHFFFAOYSA-N 264.177 3.707 30 20 CHED CCCCO[C@@H]1CC(=NNc2ncccc2F)C1(C)C 794983568 HYVDDARSVFRKOM-CYBMUJFWSA-N 279.359 3.604 30 20 CHED CCCNc1ccc(C#N)cc1NCCCCCF 795266043 GVXVHKSJPJEFPP-UHFFFAOYSA-N 263.360 3.932 30 20 CHED CCC(=O)OC1CCC(Nc2ccc(C#N)cc2C)CC1 796787562 AJSJLWLODJPCHO-UHFFFAOYSA-N 286.375 3.543 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2/N=C/c2ccccc2O)cc1 797783983 JQZSQBWNJQDLRU-LJNFXEMMSA-N 281.355 3.766 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(C#N)cc1 798369325 CWDHLFBIEITWOS-CMDGGOBGSA-N 279.343 3.540 30 20 CHED COc1ccccc1CON=Cc1ccc(Cl)s1 799118727 RPNXCYSFFGFOEN-UHFFFAOYSA-N 281.764 3.961 30 20 CHED Cc1ccc(N(C)C(=O)c2ccc(C)c(C#N)c2)c(C)c1 799320364 XTWLVLHFHSRXGG-UHFFFAOYSA-N 278.355 3.760 30 20 CHED CCSCCC/N=C/c1ccc(N(CC)CC)cc1O 800721477 ODLWSXAVEHJQKO-GHRIWEEISA-N 294.464 3.801 30 20 CHED N#Cc1csc(C(=O)OCc2ccc3occc3c2)c1 802852048 NDCXXZBQCYFBRP-UHFFFAOYSA-N 283.308 3.723 30 20 CHED C=CCCCCCCNC(=O)[C@H](O)c1ccccc1Cl 805220830 GSZATMCSVPRWGH-OAHLLOKOSA-N 295.810 3.626 30 20 CHED C#C[C@@H](NC(=O)[C@H](CC)Sc1ccccc1)C(C)(C)C 807884297 MDVUQWVFKZEPAW-LSDHHAIUSA-N 289.444 3.721 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2nccnc2C2CCC2)C1 807991793 SUYZYIWDUDTMIU-QWHCGFSZSA-N 272.396 3.968 30 20 CHED CC(C)(C)c1ncc(C=NOC/C=C/Cl)s1 811668188 LKWFQCGUARHRIT-BJQYGPDJSA-N 258.774 3.544 30 20 CHED CC(C)Oc1ccccc1C=NOC/C=C/Cl 811669898 WCTCHYFFIXCQIR-YYHWNVOSSA-N 253.729 3.577 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cccc(F)c1C#N)C2=O 811690224 XNGLGUDFODUXCW-ZSOIEALJSA-N 277.298 3.828 30 20 CHED C=CC[C@@H](CC)NC(=O)N(Cc1ccccc1Cl)OC 812209735 FTOOPBFYRRJEHW-CYBMUJFWSA-N 296.798 3.768 30 20 CHED O=C(O)c1cccc(NN=Cc2cc3ccccc3o2)c1 812374913 OKYIAWHVZAUSSL-UHFFFAOYSA-N 280.283 3.577 30 20 CHED c1ccc(CN2C[C@H]3C(=NOCC4CC4)CCC[C@H]3C2)cc1 814244554 ZPEHALWNZIAUIU-ZWKOTPCHSA-N 298.430 3.701 30 20 CHED Cc1ccc(C=NOCCC2CC2)c(-c2ccnn2C)c1 814246702 VZUDUNVWVKVLAE-UHFFFAOYSA-N 283.375 3.546 30 20 CHED COc1ccc(C=NOCCC2CC2)cc1Br 814246977 LAYOVRJMFYEVIQ-UHFFFAOYSA-N 298.180 3.608 30 20 CHED c1ccc2nc(NN=C3C[C@H]4CC[C@H]3C4)ccc2c1 814697616 VVADFMVMGAKDJK-AAEUAGOBSA-N 251.333 3.823 30 20 CHED CC(C)[C@H]1CC(=NNc2ccccc2F)CS1 814790682 WBXJEOQMMDCABD-CYBMUJFWSA-N 252.358 3.755 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccc(C#N)cc1 814803301 PDHPKEQLYYXBBB-AWEZNQCLSA-N 266.348 3.676 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccccc1-n1cncn1 814859477 WGSQGTDAZOHULL-HNNXBMFYSA-N 299.422 3.550 30 20 CHED N#Cc1c(F)cccc1Oc1cccc(C=O)c1Cl 814903740 YQBXTSVVRMEVCI-UHFFFAOYSA-N 275.666 3.956 30 20 CHED CC(C)(CC(=O)OCc1ccc(F)cc1C#N)C1CC1 815469085 WCNKZAIJYKXDCR-UHFFFAOYSA-N 275.323 3.567 30 20 CHED C=CCC(F)(F)C(=O)N1CC(C)(C)c2ccccc21 815785126 VFXWEBUOMXWYMT-UHFFFAOYSA-N 265.303 3.522 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)c1ccc(OCC)cc1 819303758 LTFWKEBSROOPNK-UHFFFAOYSA-N 261.365 3.650 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@@H](O)CC1 819323574 BMWBCXOQXNMWHD-MRXNPFEDSA-N 283.456 3.891 30 20 CHED CCCCCCCC(=O)N[C@H](C)c1noc(C(F)F)n1 819571658 STOBVGIGUJRLRT-SECBINFHSA-N 289.326 3.545 30 20 CHED C=C[C@H](CC)CC(=O)N1CC(C)(C)[C@H]1c1ccncc1 820447463 HTJGHJNXCWWONX-CZUORRHYSA-N 272.392 3.593 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1OC(C)(C)C)C(C)C 821559488 JJWWQZNUVMCYIO-CYBMUJFWSA-N 288.391 3.643 30 20 CHED Cc1ccc(N(CCC#N)C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1 822836680 JKWRNGORGIHYFQ-VYDXJSESSA-N 282.387 3.678 30 20 CHED CCOc1ccc(N(CCC#N)C(=O)/C=C(/C)CC)cc1 823080535 JCQQDQGLUBDPQU-YPKPFQOOSA-N 286.375 3.688 30 20 CHED C#CCOCCC(=O)N(C1CCCC1)[C@@H](C)c1ccccc1 823826764 NUQRBBGAHUTQHF-INIZCTEOSA-N 299.414 3.559 30 20 CHED C=C(C)COc1cccc(NC(=O)C(F)(F)CC)c1 825633686 CNOLLRWVRMTFFJ-UHFFFAOYSA-N 269.291 3.625 30 20 CHED CC1=C(C)C[C@@H](C(=O)OCc2ccc(CC#N)cc2)CC1 829810784 UDYMOMUCMKHGAV-KRWDZBQOSA-N 283.371 3.932 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CCCC23CCCCC3)nc1 834941490 YIGTVKWQIFVUIT-UHFFFAOYSA-N 288.351 3.892 30 20 CHED CCC[C@H](C=NNc1ccc(OC(F)F)cc1)OC 834952263 NVNLVIBGSLZELV-GFCCVEGCSA-N 272.295 3.501 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)c1ccccc1Cl 835234676 BSJYILPYQZIFEX-QKCSRTOESA-N 280.751 3.535 30 20 CHED C=CC(C)(C)COC(=O)c1cnc([C@H](C)OCC)s1 835724718 OCXUMDMVDDXMNK-JTQLQIEISA-N 283.393 3.610 30 20 CHED CC(C)(C#N)CC(=O)O[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 836068344 HVBDDAIOQLRJKV-CHWSQXEVSA-N 293.407 3.596 30 20 CHED C#Cc1cccc(CNC(=O)Nc2scnc2C(C)C)c1 836745396 OQWVUJVJJJVBMH-UHFFFAOYSA-N 299.399 3.570 30 20 CHED CCn1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c2ccccc21 839046005 ZOEXLHAMAZBDHN-KBPBESRZSA-N 296.370 3.900 30 20 CHED CC(C)(CC#N)CNC(=S)Nc1cccc(Cl)c1 840846795 ZOXNSGRRFMHWAE-UHFFFAOYSA-N 281.812 3.566 30 20 CHED CC(Cn1nc(C)cc1C)=NOC[C@H]1CCCCC1(F)F 842022505 VJJWWJBEDAKBDR-CQSZACIVSA-N 299.365 3.718 30 20 CHED CC(C)Cn1nccc1/C=C1\Cc2ccc(F)cc2C1=O 843270776 ZPYCGALCGFYBCR-MDWZMJQESA-N 284.334 3.501 30 20 CHED Cc1nn(C(C)C)cc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 846907028 SZVBSCYMOWCQAE-ZDUSSCGKSA-N 297.358 3.562 30 20 CHED C=C[C@H](CO)N[C@H](C)c1ccccc1SC(C)(C)C 850571901 FDNMREPUXFGHJH-CHWSQXEVSA-N 279.449 3.775 30 20 CHED CCCCCCCN1CCC2(CCCC2=O)CC1 852630928 FWWWVHBOJIRSHZ-UHFFFAOYSA-N 251.414 3.792 30 20 CHED N#CC[C@H]1CCCN(Cn2c(=S)oc3ccccc32)C1 853526123 NEPKLGCSFPWXMG-GFCCVEGCSA-N 287.388 3.547 30 20 CHED C=CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2COC)C1 853801686 GWCJHIIRDXXOIH-ZDUSSCGKSA-N 290.363 3.534 30 20 CHED CC/C(=C\C(=O)N(CC)[C@H](C)C#N)c1ccc(C)cc1 856075958 SXECULVOEAINRR-XDPMZMSMSA-N 270.376 3.549 30 20 CHED CCCc1ccc(C=NOCC(F)(F)F)s1 857208634 BZPSNRCFIFFQPP-UHFFFAOYSA-N 251.273 3.613 30 20 CHED CCCCCCCNC(=O)Nc1ccnn1C(C)C 860295508 CMIDXWFWOYBWLL-UHFFFAOYSA-N 266.389 3.556 30 20 CHED C=C[C@@H](CC(=O)OCc1cnc(C2CC2)o1)c1ccccc1 861374941 YZPGQYMRYKICKV-ZDUSSCGKSA-N 297.354 3.955 30 20 CHED Cc1ccc([C@@H](C)NC(=O)c2ccccc2CC#N)s1 864982273 QBMIZGCWWVOHJV-GFCCVEGCSA-N 284.384 3.614 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cnc2ccc(F)cc2c1 875679855 PVTNFLMSBUKXGR-UHFFFAOYSA-N 286.306 3.609 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCSc2ccccc21 877970771 CDMLAMNYQFQJLR-CYBMUJFWSA-N 275.417 3.942 30 20 CHED Cc1cc(C)cc(C2CCN(C(=O)C3(C#N)CCC3)CC2)c1 891291602 WYZJHLFUJWIAAB-UHFFFAOYSA-N 296.414 3.703 30 20 CHED CCC(CC)c1cc(CNc2ccc(C#N)cc2CO)on1 892679733 UBKSFEHLPZPTIL-UHFFFAOYSA-N 299.374 3.554 30 20 CHED C=CC[C@@H](C)NC(=O)c1c(Cl)cccc1OCC1CC1 895049382 QUQLNIHOWOLKRY-LLVKDONJSA-N 293.794 3.823 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](C)C3(CCC3)C2)CC1 897296348 DOQZNXNEJMZYGF-CQSZACIVSA-N 261.409 3.772 30 20 CHED CCCCCCCS(=O)(=O)Cc1ccsc1 899980136 OMEWGKMGRBLWKV-UHFFFAOYSA-N 260.424 3.633 30 20 CHED C=CCCC[C@H](NCc1c(C)oc2ccccc12)C(=O)O 900069232 VYWZBMRHLHAYLP-HNNXBMFYSA-N 287.359 3.640 30 20 CHED CC(=NOC[C@@H]1CCOC1)c1csc2ccccc12 901227310 LSOWHQPUPNGGJD-GFCCVEGCSA-N 275.373 3.678 30 20 CHED CC(=NNc1ccc(Cl)cc1F)[C@H]1CCCOC1 901317953 PUYFJUXLNDPKAO-JTQLQIEISA-N 270.735 3.694 30 20 CHED Cc1ccc2c(c1C)C(=O)/C(=C\c1cncn1C(C)C)CO2 901477122 HAZSUHKYCPVTOV-AUWJEWJLSA-N 296.370 3.740 30 20 CHED N#CCCSCCOc1ccc(F)c(Cl)c1 901563475 OSOFHMUUZUJHPD-UHFFFAOYSA-N 259.733 3.505 30 20 CHED C[C@@H](CCC#N)Sc1nc2ncc(Cl)cc2o1 901672496 OCGYPMQZFQJREO-ZETCQYMHSA-N 267.741 3.661 30 20 CHED CC[C@H](N[C@H](CC)c1cccc(C#N)c1)C1CCOCC1 902829983 IILVFJFXUCIXRS-ZWKOTPCHSA-N 286.419 3.804 30 20 CHED N#CC1(CN[C@H]2CCCc3c2[nH]c2ccc(F)cc32)CCC1 903035075 HWYBDARKPGPRLM-INIZCTEOSA-N 297.377 3.968 30 20 CHED CCC(=NNc1ccccn1)c1ccc(OC(F)F)cc1 916276282 UXNQILIVSKXIBE-UHFFFAOYSA-N 291.301 3.909 30 20 CHED Oc1ccc(C=NNc2cccc3c2CCCC3)cc1 917552705 MKWAIPHFQWUSHG-UHFFFAOYSA-N 266.344 3.717 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)Cc1ccsc1 918713086 UZWMEZJCDAEAGC-LKBVRNOZSA-N 275.373 3.512 30 20 CHED C=C(Br)COC(=O)[C@@H]1CCCc2ccccc21 919056997 CNPCDRJKFNOMGF-CYBMUJFWSA-N 295.176 3.558 30 20 CHED COc1c(Cl)cc(Cl)cc1C=NNc1ccccn1 921254709 ARPSCCUCQXYYBF-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C=CC[C@H](N[C@@H]1CCC[C@@H](SC)C1)c1ccncc1 921746400 CIAAGFVHAVYEQZ-OAGGEKHMSA-N 276.449 3.963 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](Cc1ccccc1)C1CC1 925452529 WOJIGXCXDGXGSJ-YOEHRIQHSA-N 270.420 3.926 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(SCCCO)cc1 926084611 OOHWINKTJCRUOO-ZDUSSCGKSA-N 292.448 3.901 30 20 CHED COC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(Cl)cc1 926312309 KQDWRVYHHQDHJU-SWLSCSKDSA-N 294.826 3.945 30 20 CHED C#Cc1ccc(NC(=O)N[C@H](CC)CC(F)(F)F)cc1 934929160 MVAUPJHCLJXTHA-LLVKDONJSA-N 284.281 3.520 30 20 CHED N#Cc1csc(-c2nnc(CCCc3ccccc3)o2)c1 1117230817 ADVVJIGFXPLRFT-UHFFFAOYSA-N 295.367 3.845 30 20 CHED C=C[C@](C)(CC)c1nnc(CCc2ccc(OC)cc2)o1 1118430149 NOSLIKYHSHDATC-QGZVFWFLSA-N 286.375 3.717 30 20 CHED CSC1(CNc2cccc(CC#N)n2)CCCCC1 1119361840 GACJUXYWHAYRBM-UHFFFAOYSA-N 275.421 3.625 30 20 CHED CC[C@H](C#N)N(CC)C(=O)C[C@@H](C)c1ccc(F)cc1F 1121161726 WLKYHYIWYUFFDI-DGCLKSJQSA-N 294.345 3.609 30 20 CHED Cc1cccc(CCC(=O)O[C@@H](CC#N)c2ccco2)c1 1123461619 CYNIJTDBNDJVLN-INIZCTEOSA-N 283.327 3.719 30 20 CHED N#CCc1cccc(C(=O)N(c2ccccc2)C2CC2)c1 1129027520 CLOYYUOUBONGAY-UHFFFAOYSA-N 276.339 3.562 30 20 CHED CC1(C)CCC[C@@H](CNC(=O)c2sccc2C#N)C1 1129903345 CFBLWGCUZCFSIA-LLVKDONJSA-N 276.405 3.566 30 20 CHED COc1cccc(Cl)c1NC(=O)c1cc(C#N)cs1 1132822605 SMCZCSNTHPCXAJ-UHFFFAOYSA-N 292.747 3.534 30 20 CHED N#Cc1cccc(Br)c1N1C[C@H]2CCC[C@H]2C1 1164350296 IDUBQFCZAACKIZ-TXEJJXNPSA-N 291.192 3.557 30 20 CHED Cc1cc(NC(=O)C[C@H](C)c2ccc(F)cc2)ncc1C#N 1277604709 WFWTYPHTGYZKSM-LBPRGKRZSA-N 297.333 3.533 30 20 CHED COc1cc(CN2CC(C)(C)CC(C)(C)C2)ccc1C#N 1308665691 PETDNAPROLSFSF-UHFFFAOYSA-N 286.419 3.825 30 20 CHED C=C(Cl)COC(=O)CCc1nc2ccccc2s1 1317829429 LDCNUZVVQGGDRR-UHFFFAOYSA-N 281.764 3.525 30 20 CHED N#C[C@H]1CCC[C@@H](NCCc2c(F)cccc2Cl)C1 1322130586 VZFHIHLRHDJSQY-NWDGAFQWSA-N 280.774 3.694 30 20 CHED N#Cc1cc(Cl)c(C(=O)NC/C=C\C2CC2)c(Cl)c1 1326368644 CIYZBKGOYWOOPK-UPHRSURJSA-N 295.169 3.561 30 20 CHED Cc1cc(C=NNc2ccc(Cl)c(Cl)c2)ncn1 1327777157 KAZOHKJJNVMKMK-UHFFFAOYSA-N 281.146 3.538 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(N(C)C)cc1C 1332834734 CPOUSHAPOVZDQI-ZDUSSCGKSA-N 260.381 3.602 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1c1cccc(CC#N)n1 1334305096 XNSIHQKYFNWPKO-MAUKXSAKSA-N 291.398 3.920 30 20 CHED CCc1ccc(C(=O)NC2(C#N)CCCCC2)cc1CC 1337221032 MJRLOPGFVXMTQI-UHFFFAOYSA-N 284.403 3.768 30 20 CHED Cc1csc(NC(=O)CC(C2CC2)C2CC2)c1C#N 1343004994 NJHXWIOLNVVSIP-UHFFFAOYSA-N 274.389 3.693 30 20 CHED Cc1cc(C)c(/C=C\C(=O)O[C@@H]2CC[C@H](C#N)C2)cc1C 1344016468 GEQLBQSNJJCVID-NKHHLTQSSA-N 283.371 3.861 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1ccccc1 1349864825 SFDLCJQRECVPSS-MRXNPFEDSA-N 257.377 3.576 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)O[C@H](CC#N)c1ccco1 1350311778 PJWWAXMSRHRIJI-KYOSRNDESA-N 261.321 3.604 30 20 CHED COc1ccc([C@H](C)COc2cccc(F)c2C#N)cc1 1458999066 RNEWPSVGVUALNM-GFCCVEGCSA-N 285.318 3.888 30 20 CHED N#Cc1nccc(N2C[C@@H](c3ccccc3)c3ccccc32)n1 1472771842 OUWSKUMCYKDUQJ-INIZCTEOSA-N 298.349 3.632 30 20 CHED C=C(Cl)CN[C@@H](C)c1ncc(-c2ccccc2)o1 1473356872 KZSDVTIMGIFFAP-NSHDSACASA-N 262.740 3.745 30 20 CHED CC(C)(C)C[C@@H]1CCN(Cc2cccc(C#N)n2)C1(C)C 1474576013 RLNFGBGUXOKMOP-AWEZNQCLSA-N 285.435 3.990 30 20 CHED C=C[C@H](C(=O)N[C@@]1(C)CC=CCC1)c1ccccc1 1528493389 TYRBDFFNKYZQLT-RDJZCZTQSA-N 255.361 3.571 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(Nc2ccccc2)cn1 1533533529 QSWFVDJBHPWJMZ-QGZVFWFLSA-N 294.358 3.704 30 20 CHED CC[C@@H](CC(=O)Nc1nn(C(C)(C)C)cc1C#N)C(C)C 1539971210 YGFKQZFJOCMIHB-LBPRGKRZSA-N 290.411 3.521 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)OCc1cc(C#N)ccc1F 1542583532 TXWFCDFDWOSESV-BXUZGUMPSA-N 275.323 3.567 30 20 CHED CCC1CCC(N(Cc2cc(C#N)ccn2)C2CC2)CC1 1559488880 WZUNMOKPJLCTIJ-UHFFFAOYSA-N 283.419 3.886 30 20 CHED C=C(Cl)CNC(=O)c1cc(Cl)c2ccccc2c1O 1565817590 SNQSINYDLGUJIR-UHFFFAOYSA-N 296.153 3.681 30 20 CHED CN(CCC#N)C(=O)c1ccc(-c2cccc(F)c2)s1 1583559069 UMRFTLSDURAKMZ-UHFFFAOYSA-N 288.347 3.540 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1587347455 MQLQKLAVCICEPJ-STQMWFEESA-N 296.374 3.589 30 20 CHED C=CCN(Cc1cccc(C(=O)O)c1)Cc1cccs1 1588832386 HENDZIARPDKMLO-UHFFFAOYSA-N 287.384 3.635 30 20 CHED N#Cc1cc(F)cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 1596855649 IBGWIYRSFBWMMU-CVEARBPZSA-N 298.292 3.579 30 20 CHED Cc1cc(NC(=O)c2cccc(C(C)(C)C)c2)ncc1C#N 1611368287 ZOUZHKRBKHZDPP-UHFFFAOYSA-N 293.370 3.812 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cscc1Cl 1625355416 ZLRSZXXOBNHFKR-UHFFFAOYSA-N 276.748 3.834 30 20 CHED COc1cc(F)cc(CNc2cccc(C#N)c2C)c1 1651152120 MPPUWDXWSQIQCC-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1cc(=N[C@H](C2CCCCC2)C2CCC2)c(C#N)c[nH]1 1651179692 LBZPKMMSHCCGCC-GOSISDBHSA-N 283.419 3.845 30 20 CHED N#Cc1c(F)cccc1N1CCc2cccc(F)c21 1651624792 JWCGXBDGUZTPTI-UHFFFAOYSA-N 256.255 3.531 30 20 CHED CCC1(CC)[C@@H](Nc2cccc(F)c2C#N)C[C@@H]1OC 1655308687 PMHGDSQTAGMYOA-GJZGRUSLSA-N 276.355 3.703 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1659392576 CPIPPGSSAWMRDB-OLMNGRFOSA-N 282.387 3.803 30 20 CHED CSc1ccc(N(C)C(=O)Nc2cccc(C#N)c2)cc1 1667576103 YWXSFXVVJSFVEH-UHFFFAOYSA-N 297.383 3.948 30 20 CHED CCCC(=NNc1ccc(C(=O)O)nc1)C1CCCC1 1776070928 RCZXZYQUZQXVLV-UHFFFAOYSA-N 275.352 3.538 30 20 CHED C=CC1CCN(C(=O)c2cccc(F)c2Cl)CC1 173313737 YCYKJWJTRHMKMR-UHFFFAOYSA-N 267.731 3.517 30 20 CHED CCCCCCCCCC(=O)Nc1nncs1 109341179 BUOOGZQRQKLLMW-UHFFFAOYSA-N 255.387 3.617 30 20 CHED N#Cc1cccc(CNc2ccc(-c3csnn3)cc2)c1 119647324 IFWWTAACLFLARM-UHFFFAOYSA-N 292.367 3.689 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(SC)cc1 104986973 NBLUJGHJHPKYGF-UHFFFAOYSA-N 264.394 3.838 30 20 CHED C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C 59422214 QHXGWGWMKPXROT-NWDGAFQWSA-N 262.784 3.832 30 20 CHED COc1cc(C)ccc1NC(=O)Nc1cccc(C#N)c1 55338875 GPAWKWDXAYUXHL-UHFFFAOYSA-N 281.315 3.519 30 20 CHED N#C[C@H](NC(=O)CCC1CCCC1)c1ccc(Cl)cc1 106421205 MKWFLYRGTBWAOI-HNNXBMFYSA-N 290.794 3.991 30 20 CHED C[C@H](CSc1ccccc1)C(=O)Nc1cccc(C#N)c1 110162587 WQAAMQQAMQIJHG-CYBMUJFWSA-N 296.395 3.925 30 20 CHED Cc1ccc(NCc2cccc(OCCCC#N)c2)c(C)n1 119076725 PGJBOPFEJNYFFJ-UHFFFAOYSA-N 295.386 3.993 30 20 CHED COc1cc(Oc2ncnc3sc(C)cc23)ccc1C#N 302882198 JQOSCXBYLSKJBT-UHFFFAOYSA-N 297.339 3.672 30 20 CHED O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc(Cl)nc1 179414390 MSELBCIPHLQYFP-HNQUOIGGSA-N 294.719 3.601 30 20 CHED CC(C)(C)c1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1 301666670 WYIQQYODWWGIRU-UHFFFAOYSA-N 296.330 3.903 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CCC[C@@H](C)C2)c1 302114963 RCCBXMONUARKEF-IAQYHMDHSA-N 256.349 3.751 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)C1(C)C 25103741 ZIQWDZHISYQMDV-SJORKVTESA-N 296.414 3.755 30 20 CHED C[C@H](NCCCCC#N)c1ccc(F)c(Cl)c1 171982634 NKQLKEDHTUMQIW-JTQLQIEISA-N 254.736 3.824 30 20 CHED CCS[C@@H]1CCCC[C@H]1NCc1ccccc1C#N 179095222 HCKRUBZJZXKFAI-HZPDHXFCSA-N 274.433 3.712 30 20 CHED C#C[C@H](C)OC(=O)c1csc(-c2ccc(Cl)s2)n1 174419499 BDVNQMWYPANOBA-ZETCQYMHSA-N 297.788 3.704 30 20 CHED Cc1cc(CNc2cccc(C)c2F)ccc1C#N 443981596 AZARXHMMCWVUBA-UHFFFAOYSA-N 254.308 3.926 30 20 CHED CC(C)C(C)(C)CNC(=O)c1cccc(SCC#N)c1 187621557 HMMZJFDLCZLDDP-UHFFFAOYSA-N 290.432 3.714 30 20 CHED C=CC[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 180954234 RBPLIAKMCRZAAX-CHWSQXEVSA-N 287.407 3.586 30 20 CHED C[C@@H](NCCCC(C)(C)C#N)[C@H]1CCCN(C2CCC2)C1 185668403 NNQWAWRJRPOFMH-CVEARBPZSA-N 291.483 3.559 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1cccc(F)c1F 181947565 BHPYOKCNFKZCNL-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=CCN(CC=C)C(=O)c1oc2ccc(OC)cc2c1C 78914507 KTDIPZGLFGGWMT-UHFFFAOYSA-N 285.343 3.564 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 77380245 DIBYGQINTNVWSZ-UHFFFAOYSA-N 281.359 3.676 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@@H](C)[C@@H](C)CC 507301206 JVBVJSYGVZOVBY-KBPBESRZSA-N 266.429 3.847 30 20 CHED C=CCn1c([C@@H](C)CC)nnc1N1CCC(CC)CC1 508843035 ASQWYLSZQWOBGM-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED N#Cc1cc2c(nc1NCCc1cccc(F)c1)CCCC2 217637874 YTUIKVGOQGVURP-UHFFFAOYSA-N 295.361 3.626 30 20 CHED CC(C)(CC#N)CNc1nccc2ccc(F)cc12 413399872 BYGCJIPALCXFNT-UHFFFAOYSA-N 257.312 3.726 30 20 CHED CC(C)(CC#N)CNc1ccc(C#N)c(C(F)(F)F)c1 413405790 JOSMBSQRCOKXJQ-UHFFFAOYSA-N 281.281 3.929 30 20 CHED CC(C)COc1ccccc1[C@H](CC(C)C)NCC#N 181721316 WAZYAGLZBMNODI-INIZCTEOSA-N 274.408 3.922 30 20 CHED C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)CC(C)(C)C#N 505287687 NSHDBOKKEHBGNY-CXAGYDPISA-N 284.403 3.756 30 20 CHED CCOc1ccccc1CN(C)CC(C)(C)CCC#N 180040025 XFOUVRFHPHBLBC-UHFFFAOYSA-N 274.408 3.847 30 20 CHED CCc1c(C)sc(NC(=O)C(C)(C)OC(C)C)c1C#N 410439665 WAZCRFPYVKKGMY-UHFFFAOYSA-N 294.420 3.633 30 20 CHED C=CCCCN(C)C(=O)c1cc2cc(C)ccc2nc1C 76490461 GKTRSSHZSDQFLS-UHFFFAOYSA-N 282.387 3.890 30 20 CHED C[C@@H]1CN(Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1 174983665 FLAMCYHFTMJDKH-KDOFPFPSSA-N 262.356 3.751 30 20 CHED C=C(C)[C@@H](NCC(F)(F)F)c1ccc(F)c(F)c1 187776091 AUVNXTABTODQNW-LLVKDONJSA-N 265.225 3.734 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccccc1C#N 524757326 UXDOGTPRGCAAEU-JKIFEVAISA-N 254.377 3.711 30 20 CHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 120632146 YYFSZPGPNKILLT-LZCJLJQNSA-N 289.237 3.769 30 20 CHED CCCN(CCCCC#N)[C@@H]1C[C@H](OCC)C1(C)C 121079982 CGORNNILHMSDDM-CABCVRRESA-N 266.429 3.596 30 20 CHED C=CCN(C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 121345164 PSVNNIHTASVMLI-UHFFFAOYSA-N 285.387 3.843 30 20 CHED C[C@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccncc1 120688070 YURMJKAEWHFDSP-LLVKDONJSA-N 299.761 3.739 30 20 CHED Cc1nc(S[C@H](C)CCC#N)n(CC(C)C)c1C 188262226 BNVYEWXGRLFGLD-LLVKDONJSA-N 265.426 3.940 30 20 CHED CO[C@@](C)(CNc1ccc(C(F)(F)F)c(C#N)c1)C1CC1 314711999 MUVOSPHUGKTSCN-AWEZNQCLSA-N 298.308 3.804 30 20 CHED C=CCCCC[C@H](C)Nc1cccc2c1CCNC2=O 414347167 QUJZUHBVEXEGEA-ZDUSSCGKSA-N 272.392 3.519 30 20 CHED C=CCSCCN[C@H](C)c1ccc2ccccc2n1 180455643 XMAVTYAEBJUCDD-CYBMUJFWSA-N 272.417 3.805 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)Nc1cccc(C#N)c1 341239974 GFIVXFYFVMZVBW-NEPJUHHUSA-N 259.353 3.504 30 20 CHED N#Cc1ccc(N(Cc2ccco2)Cc2cccs2)nc1 73448711 CQKNUUBPBOLOKL-UHFFFAOYSA-N 295.367 3.815 30 20 CHED C=C1CCN(c2cc(C)nc(-c3cccs3)n2)CC1 413127547 BIHQJTFTUBNKGR-UHFFFAOYSA-N 271.389 3.670 30 20 CHED CCn1c(C)nnc1SCCC1(C#N)CCCCC1 412993151 MLKPCBHTTHQUER-UHFFFAOYSA-N 278.425 3.563 30 20 CHED CCCN(Cc1cccc(OCCCC#N)c1)C1CC1 133237652 BXVZDCBUFZCLHL-UHFFFAOYSA-N 272.392 3.744 30 20 CHED CC(C)(C)n1cc(C(O)=Nc2scnc2C2CC2)cn1 328907846 CLCBGTIHFPJKLC-UHFFFAOYSA-N 290.392 3.608 30 20 CHED C[C@@H](CC(=O)N1CCC[C@](C)(C#N)C1)CC(C)(C)C 612367028 KSNMGFAHPPVPED-XJKSGUPXSA-N 264.413 3.601 30 20 CHED C=CCCCCCN1C[C@@H](O)C[C@H]1c1ccccc1 411926165 OZPSLBKUJMUCMO-IRXDYDNUSA-N 259.393 3.541 30 20 CHED C=CCSCCNC(=O)N1CCC[C@H]1[C@H](C)CCC 509172657 ZJRAMIBCEFRCGY-KGLIPLIRSA-N 284.469 3.516 30 20 CHED Cc1cnc(N=C(O)N2CCCC3(CCCCC3)C2)o1 329997659 QXEAHKCKYFTFLI-UHFFFAOYSA-N 277.368 3.575 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1sccc1Cl 290114357 YLTPXWOFAGBEDJ-UHFFFAOYSA-N 284.812 3.946 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(C)n(C(C)C)c1C 428037184 JEXYNSPJOAFPQS-HNNXBMFYSA-N 274.408 3.867 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)C[C@@H](C)CC 426073622 BJXLKAPPXYTUFO-BFHYXJOUSA-N 252.402 3.561 30 20 CHED CC1(C)[C@@H](c2ccccc2)CCN1c1ncc(C#N)cc1F 420641455 NNMZHRMEYQAJDZ-OAHLLOKOSA-N 295.361 3.865 30 20 CHED C=C(C)CNC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 429891386 ZYBYVFIHVBUUDL-CQSZACIVSA-N 278.371 3.788 30 20 CHED C=CCN(C(=O)[C@H](CC)Cc1ccccc1C)C1CC1 424751029 HSYXNJYTELJWFI-OAHLLOKOSA-N 271.404 3.741 30 20 CHED Cc1nc(-c2cccs2)sc1C(=O)OCCCC#N 46585836 YNVOVOFYUSYOQA-UHFFFAOYSA-N 292.385 3.641 30 20 CHED C=C[C@H](C)NC1CC(c2cccc(Br)c2)C1 229319933 JBWUNZNMBJHWJZ-JKDOVBDQSA-N 280.209 3.859 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1CC[C@@H](C)C1 425125009 FYDOWQQNPYIKRH-ILXRZTDVSA-N 284.403 3.904 30 20 CHED Cc1cc(C)c(NC(=O)c2ccc(C#N)s2)c(C)c1 336095186 IYUQGJUUKMEHSR-UHFFFAOYSA-N 270.357 3.797 30 20 CHED CC(C)[C@@H]1CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 334678632 IXVSNINNLSNNOP-HNNXBMFYSA-N 285.391 3.750 30 20 CHED Cc1ccc2[nH]c(CN[C@H]3CCC[C@H]3C#N)cc2c1C 335693643 KSDPGBGOOYIGJX-BBRMVZONSA-N 267.376 3.567 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc(F)ccc1Cl 293223965 XTEJVTKWURQHKT-UHFFFAOYSA-N 296.773 3.881 30 20 CHED N#C[C@@H](NC(=O)c1cc(F)ccc1Cl)C1CCCCC1 293242836 DXNCTZCVSGKEPC-CQSZACIVSA-N 294.757 3.681 30 20 CHED CC1=C[C@H](C)CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 334724914 KXABKZXMWGGLFM-AWEZNQCLSA-N 296.414 3.552 30 20 CHED C[C@H](C[C@@H]1CCCCCN1)N[C@@H](CCC#N)c1ccccc1 422999408 SMUUKLCHBJFTKD-NEWSRXKRSA-N 299.462 3.932 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)s1 335683337 VAZOUUYBLVXPHO-DOMZBBRYSA-N 296.395 3.638 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 333587233 BBVUXIMENURUAR-MRXNPFEDSA-N 295.386 3.663 30 20 CHED CCCN(CC#N)Cc1nc(-c2ccccc2)cs1 92398278 ODWOVVPFQYONMK-UHFFFAOYSA-N 271.389 3.546 30 20 CHED C[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[C@H](C#N)C1 424200925 RPFLQVGTJFWKFE-CORIIIEPSA-N 262.784 3.553 30 20 CHED CC1(C)CCC[C@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 332129338 GNYNOWKRLGDHEZ-AWEZNQCLSA-N 297.402 3.597 30 20 CHED C=CCCC(=O)N1CC=C(c2cccc(C)c2)CC1 92518102 CKZALFNTHIZPOF-UHFFFAOYSA-N 255.361 3.577 30 20 CHED Cc1ccc(NC(=O)c2ccc(CC#N)cc2)c(Cl)c1 334872456 GULKPYKZRFJPAZ-UHFFFAOYSA-N 284.746 3.967 30 20 CHED Cn1cc(N[C@@H]2CC[C@H](C#N)C2)c(C2CCCCC2)n1 333563925 OMJSVZBKLPYXGZ-GXTWGEPZSA-N 272.396 3.572 30 20 CHED CCN(C(=O)C1CC=CC1)c1ccc(C#N)c(Cl)c1 91206912 YFAPXZRGDAEAAN-UHFFFAOYSA-N 274.751 3.531 30 20 CHED Cc1cccc(NC(=O)N2CCC(CCC#N)CC2)c1C 335478226 QACLDRQDXPFQGM-UHFFFAOYSA-N 285.391 3.851 30 20 CHED Cc1oc(C#N)cc1C(=O)NC[C@H](c1ccccc1)C(C)C 436072082 ZOCUPTLYRHUAIQ-KRWDZBQOSA-N 296.370 3.629 30 20 CHED C=CCNC(=O)Nc1ccc(COc2ccccc2)cc1 91204020 RODPBUFRBOWMHM-UHFFFAOYSA-N 282.343 3.573 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1ccc(F)c(F)c1 432576562 WFDDMFGNPWKJNC-UHFFFAOYSA-N 296.361 3.709 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCc2c(Cl)cccc21 510240197 DABMTJLPRRNYAV-UHFFFAOYSA-N 296.757 3.723 30 20 CHED CCn1c(C)cc(/C(O)=N/C2(CCO)CCCCC2)c1C 330963729 MDKFCMXWIJDGFM-UHFFFAOYSA-N 292.423 3.515 30 20 CHED N#Cc1ccc(SCc2ncc(Cl)s2)cc1 335887818 OCHFGYNBCYLSDV-UHFFFAOYSA-N 266.778 3.960 30 20 CHED C=CCCCCCN(C)C(=O)c1cnn(C(C)C)c1C 92466603 HVOWGJLMTZVCNM-UHFFFAOYSA-N 277.412 3.591 30 20 CHED COCc1ccc(NC(=O)[C@H](C)CC(C)(C)C)cc1C#N 529815180 CTMLICWMSJOMQS-GFCCVEGCSA-N 288.391 3.715 30 20 CHED CN(C(=O)CC(C)(C)C#N)C1CCC(C(F)(F)F)CC1 346497596 QSNPPVDXFAQIOI-UHFFFAOYSA-N 290.329 3.506 30 20 CHED Cc1ncc(CNCC(C)(C)CCC#N)n1-c1ccccc1 344596971 CCSAJJWWDYUMMU-UHFFFAOYSA-N 296.418 3.600 30 20 CHED CC(=O)c1ccc(Cl)c(Cl)c1OCC1(C#N)CC1 349155900 CMDCGIVGSJLPMX-UHFFFAOYSA-N 284.142 3.879 30 20 CHED Cc1ccc(N2CCC[C@H](N[C@H]3CCC[C@H](C#N)C3)C2)cc1 248806608 KEIJRBYJFSXHIC-BZSNNMDCSA-N 297.446 3.636 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@@H](CC)c1ccccc1 435747225 FQKJUTIDLODBPX-NJAFHUGGSA-N 273.420 3.751 30 20 CHED CC(C)COc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 349823523 USQANPYYZFHADB-GOEBONIOSA-N 272.392 3.503 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 608821237 OZOZDYUVQAEWJR-DGCLKSJQSA-N 290.432 3.541 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2ccc(F)cc2Cl)o1 255896460 PUVXFPQBYOSEBF-UHFFFAOYSA-N 298.657 3.531 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CC(C)(C)Cc2occc21 436311010 WLDDFDFWFDAJGA-KMFMINBZSA-N 289.419 3.864 30 20 CHED CSc1ccc(/C=C2\CCc3nc(O)ccc3C2=O)cc1 255259239 WYCSRIGIANKGRR-ZRDIBKRKSA-N 297.379 3.722 30 20 CHED C[C@H]1CN(Cc2cccc(C#N)c2F)CC(C)(C)C1 543182824 ZSSFPGKSPSVBGT-GFCCVEGCSA-N 260.356 3.565 30 20 CHED C=CCCCS[C@@H](C)C(=O)NCC1CCCCC1 609804866 PUGFQNZVNASGTG-ZDUSSCGKSA-N 269.454 3.771 30 20 CHED C=CCCC[C@H](C)NC(=O)CCSCc1ccccn1 343251363 PKJQTXALKAMUCQ-AWEZNQCLSA-N 292.448 3.566 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N(C1CCCC1)C1CC1 255912637 LPHAWDKSECXDJM-XFXZXTDPSA-N 280.371 3.505 30 20 CHED Cc1ccccc1C(C)(C)CN[C@@H]1CC[C@H](C#N)C1 442780744 LGYHXUFIBYUQKX-LSDHHAIUSA-N 256.393 3.555 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@@H](C)C1CCCCC1 608822902 AZUCZXDWMVJUQZ-HIFRSBDPSA-N 264.413 3.647 30 20 CHED Fc1ccc(CON=Cc2cccs2)cc1F 254958033 YYFDWZABGSAVAC-UHFFFAOYSA-N 253.273 3.577 30 20 CHED C=CCCC1(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)CC1 355113871 PFJVBPOSFPXHFN-DOTOQJQBSA-N 299.414 3.721 30 20 CHED C=CCCCNC(=O)Nc1ccc(C2CC2)c(C)c1 448067191 HVUAVCDYDCDGID-UHFFFAOYSA-N 258.365 3.960 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl 604572972 HRAOGZHOOKZJAS-NXEZZACHSA-N 299.201 3.715 30 20 CHED CN(C(=O)c1cn(CCCC#N)c2ccccc12)C1CCC1 444244963 KECLYZZIRQJXFN-UHFFFAOYSA-N 295.386 3.570 30 20 CHED C=C(CC)CNCc1c(C)nn(-c2ccc(F)cc2)c1C 449730654 FVYGRMQLJNHIGZ-UHFFFAOYSA-N 287.382 3.684 30 20 CHED Cc1cc(CSCc2ccc(C#N)c(C)c2)on1 357424603 XGZPOEJIUHMXEC-UHFFFAOYSA-N 258.346 3.597 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC2(CCC2)[C@H]1C(C)C 359192373 UZQDOLPKRXERMR-MRXNPFEDSA-N 282.387 3.517 30 20 CHED CCC[C@@H](NC(=O)CC#N)c1ccc(Cl)c(Cl)c1 355960154 TXFTWPDBYHGCLB-GFCCVEGCSA-N 285.174 3.864 30 20 CHED C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CCC#N 267078446 XLALNWGYCVHQJX-NWDGAFQWSA-N 250.773 3.677 30 20 CHED CCC[C@@H](C#N)NC(=O)c1sc(C)nc1-c1ccccc1 539927086 HYFQIVNAJCRSBD-ZDUSSCGKSA-N 299.399 3.541 30 20 CHED C[C@H](NCC1=Cc2ccccc2OC1)c1cccc(C#N)c1 610345146 UVPCTAWVXAGTML-AWEZNQCLSA-N 290.366 3.685 30 20 CHED C[C@H](CCCC(F)(F)F)N[C@H]1CCC[C@H](C#N)C1 618578087 YPFFDHXPFIJABA-WOPDTQHZSA-N 262.319 3.779 30 20 CHED C=CCOCCCSCC(=O)Nc1cccc(Cl)c1 359152099 IJIBVUYCUBKJOQ-UHFFFAOYSA-N 299.823 3.604 30 20 CHED C=CCN(C(=O)CC/C=C/c1ccccc1)[C@@H](C)COC 617579647 IORADYCZFOVYTI-RCLKMUNOSA-N 287.403 3.530 30 20 CHED CC(C)(C)CN(CCC#N)CCCCOC(C)(C)C 354922890 RJPBIKFGXORECM-UHFFFAOYSA-N 268.445 3.843 30 20 CHED COc1ccc2c(c1)CN(CC#N)[C@H](C1CCCCC1)C2 444753363 YSHHCFHEYAIITO-SFHVURJKSA-N 284.403 3.526 30 20 CHED Cc1cccc([C@H](C)NC(=O)N2CCC[C@@](C)(C#N)C2)c1C 612372270 NIKZPNJYQSKEDD-YJBOKZPZSA-N 299.418 3.700 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(Cl)cn1 611439365 ZTAPGUZBJUHFOD-QGZVFWFLSA-N 297.789 3.774 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc3c(cnn3C(F)F)c2)C1 619673771 NFIGGIVBXBURHN-GXSJLCMTSA-N 276.290 3.536 30 20 CHED CC[C@H](NCCOCc1ccccc1)c1ccc(C#N)cc1 447528786 IMCXMCLNQAWJQU-IBGZPJMESA-N 294.398 3.816 30 20 CHED CC(C)(C#N)CNC(=O)Nc1ccccc1C(C)(C)C 611620221 YDIAVMIYXCKEFA-UHFFFAOYSA-N 273.380 3.655 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)OCC 534413637 NJNYMAATMMBKDX-CZUORRHYSA-N 293.382 3.716 30 20 CHED CCN(C(=O)[C@@H](C)c1ccco1)[C@H](C)c1ccc(C#N)cc1 610171376 PMPXHGDOQDWFSJ-UONOGXRCSA-N 296.370 3.864 30 20 CHED Cc1ccnc(CSCCCOc2cccc(C#N)c2)c1 616304924 QIAFQXRXYKPWTE-UHFFFAOYSA-N 298.411 3.964 30 20 CHED C=CCCC(=O)N(CCc1ccccc1)Cc1cccnc1 263817574 SQDPKWFZPDMOAB-UHFFFAOYSA-N 294.398 3.619 30 20 CHED C[C@H](N[C@@H]1COc2c(Cl)cccc21)c1ccc(C#N)cc1 365972105 OZXCOQNPVKHXJY-MEDUHNTESA-N 298.773 3.996 30 20 CHED CC(C)(C)c1ccc2cc(C(=O)NCCCCC#N)[nH]c2c1 264215441 NMSMKMCRTXFPLJ-UHFFFAOYSA-N 297.402 3.889 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc2ccccc2c1O 452784395 ORIOFRSOFOBLBX-UHFFFAOYSA-N 297.398 3.806 30 20 CHED CC[C@@H](c1ccc(F)cc1)N1CCC[C@@](C)(C#N)C1 612166338 SEGSZJNJUVNDDR-HOTGVXAUSA-N 260.356 3.902 30 20 CHED Cc1ccc2nc(C)c(C(=O)N[C@H](C#N)C(C)(C)C)cc2c1 362340397 AVHQECHLRCOLOY-MRXNPFEDSA-N 295.386 3.520 30 20 CHED CCC[C@@H](NC(=O)Nc1cccc(CC#N)c1)C1CCC1 459612811 QUKWIEJVSDPJBB-MRXNPFEDSA-N 285.391 3.843 30 20 CHED C=CCOc1ccc(CN2CC3(CCCC3)C2)cc1OC 362311866 FJIXYCCERPKGPK-UHFFFAOYSA-N 287.403 3.636 30 20 CHED CCCn1c(CN2CCC(CC#N)CC2)nc2ccccc21 541922916 VMXVPPTUVJWSKK-UHFFFAOYSA-N 296.418 3.572 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(Br)c(F)c1 450003714 IBTWYVJFNVEREO-UHFFFAOYSA-N 286.144 3.739 30 20 CHED C=CCCC[C@H](C)N[C@H](C(=O)OC)c1cccc(Cl)c1 540618960 XIYAEONSKQPXSB-WFASDCNBSA-N 295.810 3.889 30 20 CHED C[C@H]1c2ccccc2OCCN1c1ccc(Cl)c(C#N)n1 610515407 JQTWRSOWLAAGFH-NSHDSACASA-N 299.761 3.567 30 20 CHED N#C[C@H](NC(=O)Cc1cc2ccccc2o1)C1CCCCC1 610502057 MWOOXKYDVRJTGH-INIZCTEOSA-N 296.370 3.564 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2ccccn2)CCCCC1 456371386 SXGMAOOXKDBJSE-CQSZACIVSA-N 272.392 3.580 30 20 CHED C[C@H](N[C@H](C)C[C@H](O)c1ccccc1)c1ccc(C#N)cc1 271833365 FIBHFKWOTCRLEO-VCBZYWHSSA-N 294.398 3.721 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)C1 546622907 VZSXBQMELGPXQE-SWKXRBFHSA-N 288.435 3.745 30 20 CHED C[C@H]1CCN(CC2(C#N)CCC2)[C@@H](c2ccco2)C1 450453920 QJBGNPFZGJYQNL-UONOGXRCSA-N 258.365 3.746 30 20 CHED C=CCC1(C(=O)N2CCSC[C@H](C)C2)CCCCC1 451166120 FKLUCXCIJWCCAM-CQSZACIVSA-N 281.465 3.725 30 20 CHED N#Cc1ccc(Cl)c(C(=O)N2CCC3(CCCC3)C2)c1 367538409 ONUKLZOPHPFZLF-UHFFFAOYSA-N 288.778 3.618 30 20 CHED C=CC(C)(C)c1nc(Cc2ccc(C(F)(F)F)cn2)no1 453059145 IILILCDWZGTEGL-UHFFFAOYSA-N 297.280 3.538 30 20 CHED C=C[C@@H]1CCCCN1c1nccc2ccc(F)cc12 362843631 QRPJCQWZUSZWAL-CQSZACIVSA-N 256.324 3.919 30 20 CHED N#CCc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 270286180 NDKMDNJMUKRNOL-GOSISDBHSA-N 290.366 3.634 30 20 CHED Cc1cccc2cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)oc12 274357776 SOVQALGTRHCTBV-KRWDZBQOSA-N 284.359 3.799 30 20 CHED C=CCCC(C)(C)NC(=O)Cn1ccc2ccccc21 620861189 FXGRDBJCVCXMBE-UHFFFAOYSA-N 270.376 3.502 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)c1ccc(F)c(C#N)c1)C1CC1 278641559 NZLIFSXXAMTAPD-RYUDHWBXSA-N 288.366 3.737 30 20 CHED CCC(CC)CN(CCC#N)C(=O)C[C@@H]1CCC[C@H]1C 469709688 ZAAPFRKHGWHMTP-ZBFHGGJFSA-N 278.440 3.991 30 20 CHED CC1(C)CC(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 375837816 HQAFMCFCEIAMDX-IRXDYDNUSA-N 296.414 3.721 30 20 CHED C#Cc1ccc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 289809449 SREUFHWLIVFXTM-UXHICEINSA-N 291.394 3.678 30 20 CHED CCc1c(NCc2cccc(C#N)c2)cnn1CCC(C)C 550986980 HQVUTUBSBLVMIY-UHFFFAOYSA-N 296.418 3.975 30 20 CHED N#Cc1cc(NC(=O)CC2=CCCCC2)nc2ccccc12 558248360 OODYIVPSGJFVBH-UHFFFAOYSA-N 291.354 3.935 30 20 CHED CCn1ccnc1[C@@H]1CCCCN1Cc1ccccc1C#N 281167211 QGVVIBMWHWGEHY-KRWDZBQOSA-N 294.402 3.502 30 20 CHED N#CCC[C@@H](C#N)CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 281994925 ILMCBAHGWADLRE-KFKAGJAMSA-N 291.398 3.750 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C1 462197636 VSJCZWPZGCRRQY-DOTOQJQBSA-N 298.430 3.946 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccc(C(C)(C)C)c(Cl)c1 464463555 UUTPMWBODWINEJ-NSHDSACASA-N 278.783 3.669 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1 555249620 ULSMCZNZETYWIB-GJZGRUSLSA-N 290.455 3.535 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1sccc1C 280715176 DZLYFBYXFXULTQ-MJBXVCDLSA-N 265.422 3.688 30 20 CHED C=CCCN(C)C(=O)Cc1ccc(C(C)(C)C)cc1 466633142 CQHLKVWRGDDITM-UHFFFAOYSA-N 259.393 3.561 30 20 CHED COc1cccc(Cl)c1CSc1cc(C#N)ccn1 555467904 RFZBHGVBPWTZFE-UHFFFAOYSA-N 290.775 3.908 30 20 CHED Cc1csc(NC(=O)c2csc(C(C)C)n2)c1C#N 288774432 JUVUFLVPRTTYKN-UHFFFAOYSA-N 291.401 3.760 30 20 CHED C=CC[C@H](C)[C@H](C)NCCOC1CCCCCC1 558009255 IERQQROUESPLTP-GJZGRUSLSA-N 253.430 3.916 30 20 CHED C=C[C@@H](C)NC(=O)N(CC)[C@@H](CC)c1ccccc1 464758999 UYINNQBIHXORJL-HIFRSBDPSA-N 260.381 3.744 30 20 CHED C=CC[C@H](CC)NC1CCN([C@H]2CCC[C@@H](C)C2)CC1 467405834 HSMOWZDOIWGUEZ-RYRKJORJSA-N 278.484 3.974 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCC[C@H](C)c1ccccc1 466387657 GEQQELARDPQTQY-DOTOQJQBSA-N 286.419 3.930 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC(CC)(CC)C1 466401844 OAYLWIJHWWEQHT-CYBMUJFWSA-N 252.402 3.563 30 20 CHED Cc1cc(-c2noc(-c3ccc(C#N)cc3)n2)cc(C)c1O 389337145 QOITZBKAEOHXDN-UHFFFAOYSA-N 291.310 3.598 30 20 CHED Cc1ncsc1CCSCc1cccc(C#N)c1 284974093 FGQLOTKNUOVXGO-UHFFFAOYSA-N 274.414 3.799 30 20 CHED Cc1nc(Sc2nccc(C#N)c2Cl)sc1C 553401761 YDEOXPMBDOKQPL-UHFFFAOYSA-N 281.793 3.831 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](CC2CC2)C1 559411625 SGRBOMAJISUQRM-BBRMVZONSA-N 254.377 3.741 30 20 CHED CC(C)(C#N)CCNc1ccccc1C(=O)NC(C)(C)C 288755180 RKWZJWJBUGALAO-UHFFFAOYSA-N 287.407 3.567 30 20 CHED C=CCOc1ccccc1C(=O)NCC1(CCC)CC1 470808027 KKTKHERIZWNGEB-UHFFFAOYSA-N 273.376 3.562 30 20 CHED C[C@H]1CCC[C@@H]1NCc1ccc(Br)cc1C#N 383356387 QMRMCVRKOMPDNZ-HZMBPMFUSA-N 293.208 3.599 30 20 CHED C=C(Br)CSc1nc2cnccc2s1 705648264 BFATVEZOAFDXFQ-UHFFFAOYSA-N 287.207 3.692 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](C)c1cnc(C)s1 633153804 NGIRCTLANFCYRX-WDEREUQCSA-N 281.425 3.557 30 20 CHED C#C[C@H](NC(=O)C1=C(C)CCC1)c1ccc(Cl)cc1F 804418663 SRHUAOMNPUCPDC-HNNXBMFYSA-N 291.753 3.770 30 20 CHED CCCN(CC#N)C(=O)[C@H](CC)CC1CCCCC1 475232941 NSZOPGABOPNOEO-OAHLLOKOSA-N 264.413 3.745 30 20 CHED CCCOc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1 295657933 AABBJNVBJQQACF-SFHVURJKSA-N 298.386 3.888 30 20 CHED CCCc1ccc(CSCCO[C@@H](C)C#N)cc1 802750191 ZBLRQDZOLMRAMF-ZDUSSCGKSA-N 263.406 3.801 30 20 CHED CSC1(C=NNc2ccc3ccccc3n2)CC1 800804975 HELZUJQLNCYMKX-UHFFFAOYSA-N 257.362 3.528 30 20 CHED Cc1cc(Cl)ccc1CN(C)CC(C)(C)C#N 560569082 BDQJDPFINXGJQE-UHFFFAOYSA-N 250.773 3.630 30 20 CHED C#CCC(C)(C)c1nc(C2(c3ccccc3)CCC2)no1 809453839 RBZFTIDYWBOSFV-UHFFFAOYSA-N 280.371 3.841 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1cc(C#N)ccc1C(F)(F)F 475430856 SCKLDDZMSVFCPG-CMPLNLGQSA-N 298.308 3.947 30 20 CHED N#CCCC1CCN(C/C=C\c2ccccc2)CC1 399408859 QMUSTLRMPCRRNH-UITAMQMPSA-N 254.377 3.716 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)Cc1ccccc1 563665182 NJKMFGQGTNMTGO-IRXDYDNUSA-N 271.404 3.822 30 20 CHED C#C[C@H](NC(=O)C=C(CC)CC)c1ccc(Cl)cc1 812352347 LAGWHTWLBJXNNQ-HNNXBMFYSA-N 275.779 3.877 30 20 CHED Cc1ccc([C@@H](C)N(C)Cc2ccc(C#N)cn2)c(C)c1 565166467 TVTBOBLLVOPBOB-OAHLLOKOSA-N 279.387 3.763 30 20 CHED CC(C)(C#N)CNC(=O)Nc1ccc(C2CCC2)cc1 483631987 KUBGXCRTUQCQKZ-UHFFFAOYSA-N 271.364 3.625 30 20 CHED C(=NOCC1CC1)c1cnc(-c2ccccc2)s1 814244500 XBXTWOCNYFCBPF-UHFFFAOYSA-N 258.346 3.571 30 20 CHED C=CCN(CCC#N)C(=O)[C@](C)(CC)CCCCC 816803295 WAJSTMPFDJCAMG-MRXNPFEDSA-N 264.413 3.911 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)C1CCCCC1 480530223 SJPDFRQDKQXLEG-UHFFFAOYSA-N 262.784 3.976 30 20 CHED c1ccc2c3c([nH]c2c1)CC(=NOC1CCCCC1)C3 814910589 YAHIUNMEWYWVLP-UHFFFAOYSA-N 268.360 3.972 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](CC)c1ccccc1 488371366 VPXBKRSTRRIRJH-HNNXBMFYSA-N 268.360 3.555 30 20 CHED Cc1ccccc1[C@@H](NC(=O)c1ccc(C#N)cc1)C1CC1 485574862 HDIORRPAJPKSFY-SFHVURJKSA-N 290.366 3.748 30 20 CHED Cc1ccc2sc(C(=O)O[C@H](C)CC#N)cc2c1 810583442 VSXFWEINCUGKSV-SNVBAGLBSA-N 259.330 3.669 30 20 CHED C=CC[C@H](CO)CN[C@H]1CCCc2c1[nH]c1ccc(C)cc21 571440558 HELHJFKVICWQGD-KSSFIOAISA-N 298.430 3.628 30 20 CHED CC1(C)C[C@H](NN=C2CCCC23CCCC3)CCO1 814908281 MHONBYUJSZUGPN-CYBMUJFWSA-N 264.413 3.634 30 20 CHED C(=NNc1ncnc2ccsc12)c1cccc2cc[nH]c12 814879458 VGTMEAMXGXDHNX-UHFFFAOYSA-N 293.355 3.619 30 20 CHED C=CCOc1ccccc1CN[C@H]1CS[C@H](C(C)C)C1 488424712 DLFQFOTXADLYLM-WBVHZDCISA-N 291.460 3.871 30 20 CHED COc1cc(F)ccc1NN=Cc1ccsc1C 814915907 LMXHLHNVZNJTBM-UHFFFAOYSA-N 264.325 3.650 30 20 CHED C=CCCn1cc(CN[C@H]2CCC[C@H]2CCC(C)C)nn1 653634062 JEWXDHMQZBLWKQ-RDJZCZTQSA-N 290.455 3.549 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNC[C@@H]1CCSC1 811661119 ZHMOADGHLQWNOJ-RWMBFGLXSA-N 254.443 3.531 30 20 CHED CC[C@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1OC(F)F 481373959 OKGCXQQNPNSFEO-FZMZJTMJSA-N 294.345 3.780 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@H]1C[C@@H]1C(F)F 483136220 PRIZTUPOWGQLRF-AAEUAGOBSA-N 280.318 3.580 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(C)nc1C 814833295 BUOSDQHDKYGLKC-UHFFFAOYSA-N 298.346 3.751 30 20 CHED Clc1cccc(CNN=Cc2cccnc2Cl)c1 814870252 UJRHDMSUWGERMQ-UHFFFAOYSA-N 280.158 3.512 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(SC(F)F)cc1 726532475 AXZNQHXJWAMWSF-UHFFFAOYSA-N 298.358 3.766 30 20 CHED COC(=O)c1cc(NN=Cc2ccsc2C)ccc1C 814937611 MIBYTEUCAJOJDC-UHFFFAOYSA-N 288.372 3.598 30 20 CHED Cc1ccc2snc(C(=O)OC3(CC#N)CCC3)c2c1 816076522 NJCQVJKUMQQREP-UHFFFAOYSA-N 286.356 3.598 30 20 CHED Cc1cc2ccccc2nc1N(C)CC(C)(C)C#N 574506797 CMDOGSVZCDBZGM-UHFFFAOYSA-N 253.349 3.529 30 20 CHED CC[C@H](C)Oc1cc(C=NNC2CCCC2)ccc1OC 727651792 QCYFOJGKVBPHBY-ZDUSSCGKSA-N 290.407 3.739 30 20 CHED CCN(Cc1ccc(C)cc1)Cc1ccc(C#N)c(OC)c1 576659902 VZIZQASXFCCKCT-UHFFFAOYSA-N 294.398 3.897 30 20 CHED CO[C@@H](CN(CC#N)C1CCCC1)c1ccc(Cl)cc1 577287832 FLKWZFMZMCFCRU-INIZCTEOSA-N 292.810 3.796 30 20 CHED C=CCN(C/C=C\c1ccncc1)CCc1ccccc1 494980231 YUYOIVCJDOBZHD-TWGQIWQCSA-N 278.399 3.826 30 20 CHED N#Cc1c(Cl)ncc2ccc(Br)cc12 725541911 QEHQBSGOVCBSOZ-UHFFFAOYSA-N 267.513 3.522 30 20 CHED CC(C)(CC1CCCCCC1)NCc1ncc(C#N)cn1 579935877 QQEIUEGNEKNJAX-UHFFFAOYSA-N 286.423 3.577 30 20 CHED CC1(CNC(=O)CCc2ccc(C#N)cc2)CCCCC1 571138093 DOHNBSRVBRFCRP-UHFFFAOYSA-N 284.403 3.577 30 20 CHED CN(C(=O)CNc1ccc(C#N)cc1)C1CCCCCCC1 726943963 NZTOMRZXBYIOGF-UHFFFAOYSA-N 299.418 3.541 30 20 CHED N#C[C@@H](NC(=O)/C=C\C1CCCC1)c1ccc(Cl)cc1 493326401 SOERMKRHXXCQHT-WSVPDTOYSA-N 288.778 3.767 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](CC)c1cccs1 494410043 DCYSAKYCTLBVDD-QWHCGFSZSA-N 278.421 3.949 30 20 CHED CCN(Cc1ccc(OCC#N)cc1)c1ccccc1C 729268222 RRHQWKDNLGUCKJ-UHFFFAOYSA-N 280.371 3.924 30 20 CHED C=CCCC(=O)Nc1ncc(-c2ccccc2)s1 588025827 CJYWZWDPPVFFOY-UHFFFAOYSA-N 258.346 3.715 30 20 CHED C=CCCNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 665841218 BDFALSPOBOSFEZ-UHFFFAOYSA-N 285.347 3.656 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2occc2C(C)C)no1 904723233 BDUBVUAZTVLIJF-GFCCVEGCSA-N 275.352 3.809 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(Cl)ccc1SC 491752954 XQCZLSCJCWGOFJ-SECBINFHSA-N 282.796 3.547 30 20 CHED CCN(C(=O)/C=C(\C)Cl)[C@H](C)c1ccc(C#N)cc1 900341868 IDYWBMBOYBIYOL-LMMOQWNQSA-N 276.767 3.610 30 20 CHED O=C(/C=C\c1cccs1)c1ccc([N+](=O)[O-])cc1F 821007142 DFPIDCXQERWMFA-XQRVVYSFSA-N 277.276 3.692 30 20 CHED C=CCC[C@@H](NC(=O)NCCc1ccoc1)c1ccccc1 660938180 OGANCBMSOXSSFC-QGZVFWFLSA-N 298.386 3.829 30 20 CHED Cc1ccccc1C=NOCc1noc(-c2cccs2)n1 731445523 HNVYVVKBUAWGHO-UHFFFAOYSA-N 299.355 3.657 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCC[C@H](CCCC(=O)O)C1 902261717 BEWCQQMHFBRRAA-QLFBSQMISA-N 267.413 3.744 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2CCc3ccc(C)cc32)c1 730131740 OFWFXMAWGHPCHC-SFHVURJKSA-N 290.366 3.785 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CC(c2ccc(Cl)cc2)C1 835015816 GIOVJWPJMFCFOA-CVRLYYSRSA-N 292.810 3.731 30 20 CHED C=CCC[C@H](NCc1cccc(N)c1)c1ccco1 665232083 FPXIBDWZPBXSNA-HNNXBMFYSA-N 256.349 3.659 30 20 CHED C#C[C@H](CC)N[C@H](C)CC(=O)Nc1ccccc1C(C)C 491338315 HUCMSCAKRBXDIG-HUUCEWRRSA-N 286.419 3.529 30 20 CHED CC(C)Oc1ccc(/C=C2/C(=O)c3nccn3[C@@H]2C)cc1 901561573 USSXVKWOXDDGKY-JXCQQFQQSA-N 282.343 3.511 30 20 CHED COc1ccsc1C(=O)/C=C\c1cc(F)ccc1F 588489061 PETCPXCLRGTJPC-DJWKRKHSSA-N 280.295 3.931 30 20 CHED Cc1cccc(C2=CCN(C(=O)C#CC(C)(C)C)CC2)c1 837510207 DQQWBQFPSZTISX-UHFFFAOYSA-N 281.399 3.660 30 20 CHED C=CC1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 732049352 NDIKMSUXIQNHMZ-UHFFFAOYSA-N 289.360 3.607 30 20 CHED CCCCCC(C)(C)C(=O)OCc1cc(C#N)ccn1 909062179 MJSZXFJXWYGXGO-UHFFFAOYSA-N 274.364 3.603 30 20 CHED CC1(C)OCC[C@H]1NN=Cc1c(Cl)oc2ccccc12 835017876 ZWWXUBQWNXKXOQ-CYBMUJFWSA-N 292.766 3.577 30 20 CHED Cc1nn(-c2ccccc2)cc1NCCCC(C)(C)C#N 902198309 BXNYYUJHWOJQOQ-UHFFFAOYSA-N 282.391 3.923 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1ccc2cc(O)ccc2c1 835000353 JYUZIHBPKQVFDE-SNVBAGLBSA-N 296.292 3.810 30 20 CHED C=CCC[C@H](N[C@H](C)CC(C)(C)c1ccccc1)C(=O)O 901690660 RSPSCUQYILFFIU-ZBFHGGJFSA-N 289.419 3.752 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)C#Cc1cccs1 831920351 GNSJSNFMJFSFOA-CYBMUJFWSA-N 275.417 3.527 30 20 CHED C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccc(C#N)c(F)c1 903427146 FEIJTPKLKOHNLQ-SGTLLEGYSA-N 295.361 3.894 30 20 CHED CC(C)(C#N)CCCCOC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 838122327 JUURBEHLEYJMMJ-RDBSUJKOSA-N 263.381 3.686 30 20 CHED C=C(CNC(=O)N[C@@H](C)CCc1ccco1)c1ccccc1 672686142 RVNZGVBCOOCQPT-HNNXBMFYSA-N 298.386 3.613 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2cc3ccccc3o2)C1 839046788 ASXHXCUSXMAKRY-TZMCWYRMSA-N 283.327 3.601 30 20 CHED C[C@H]1CCCC[C@H]1NC(=S)NN=C1CCC[C@@H](C)C1 916277803 SQGCDSHSCNLHCY-MBNYWOFBSA-N 281.469 3.595 30 20 CHED C=C(C)[C@H](NC[C@@H](O)C(C)(C)C)c1ccc(F)c(F)c1 676495816 MNQCVUDWHCVNJV-CABCVRRESA-N 283.362 3.579 30 20 CHED N#CCc1cccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 597750895 FNSJEFLWWOWSOH-HZPDHXFCSA-N 282.387 3.908 30 20 CHED CN(C)Cc1cc(-c2ccc(CC#N)s2)ccc1F 596645215 BHOWPBBYHXEMQR-UHFFFAOYSA-N 274.364 3.682 30 20 CHED C[C@H](NC1(C2CCC2)CC1)c1ccc(C#N)c(F)c1 593720761 MXJVLJOIPLUGNB-NSHDSACASA-N 258.340 3.681 30 20 CHED C[C@@H]1CCCC(=NNc2nc3cc(F)c(F)cc3[nH]2)C1 912825307 QWOQLUUAJRXBKQ-MRVPVSSYSA-N 278.306 3.819 30 20 CHED CCCCCCCCNc1nc(C)c(C(=O)NC)s1 916221976 MYYIRIXQOSKQRG-UHFFFAOYSA-N 283.441 3.584 30 20 CHED CCN(C(=O)C#CC(C)(C)C)[C@@H](C)Cc1ccsc1 837549962 OPOREYIDWHDATF-ZDUSSCGKSA-N 277.433 3.577 30 20 CHED N#C[C@@H](C(=O)[C@H]1CCSc2ccccc21)c1ccccn1 744026026 RKCJTHAJQRZVLT-UONOGXRCSA-N 294.379 3.537 30 20 CHED C=C(CNC(=O)c1cccc(OCC)c1)c1ccccc1 672483018 MXUAEUSABIAPRJ-UHFFFAOYSA-N 281.355 3.529 30 20 CHED C#Cc1cccc(N(C(=O)[C@H](C)c2ccco2)C(C)C)c1 741555810 BNCXEKMDHVKMSY-CQSZACIVSA-N 281.355 3.806 30 20 CHED CC(C)c1cccc(C(=O)N2CCc3cc(C#N)ccc32)c1 597775246 GSCNAQKQMOVSRZ-UHFFFAOYSA-N 290.366 3.885 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cc(C#N)cs1)CC2 748439834 ABKLZNQBVQKHKJ-QPEQYQDCSA-N 295.363 3.841 30 20 CHED CC(C)(C#N)c1ccc(CN[C@@]23CCC[C@H]2C3)cc1 594954479 ZZDPWSNSEYBIOV-DOTOQJQBSA-N 254.377 3.520 30 20 CHED CCCCCCC[C@H](C)CNC(=O)NCc1ccncc1 918019759 ZRVUBBMDEKYENU-HNNXBMFYSA-N 291.439 3.877 30 20 CHED C=C(C)CNc1nc(-c2cnn(-c3ccccc3)c2)cs1 743051843 SOCSIMXPBRWXGB-UHFFFAOYSA-N 296.399 3.984 30 20 CHED CCC[C@H](C)CC(=O)OCc1ccc(C#N)cc1F 748958577 NFUVVJHZLPGZJG-NSHDSACASA-N 263.312 3.567 30 20 CHED CC(C)(CNC(=O)CCCCCC#N)C1=CCCC1 590891187 IQTWUJVCSWLPNU-UHFFFAOYSA-N 262.397 3.713 30 20 CHED COC(=O)[C@@H](C)c1ccc(-c2ccc(C)cc2C#N)s1 592989042 PJSXCJYJNNOXSJ-NSHDSACASA-N 285.368 3.872 30 20 CHED Oc1ccc(/C=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(O)c1O 745991278 UTVFZOHDYZIJQY-PMGZXTEXSA-N 289.375 3.581 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1 840322392 PFRPFPYCRIGFES-QUCCMNQESA-N 289.378 3.825 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccccc1O 918153435 VDYBJIWUILLQQM-UHFFFAOYSA-N 274.751 3.559 30 20 CHED C#Cc1cccc(NCC(=O)N(CCCC)CCCC)c1 747474654 NXGZUHONOFNDKE-UHFFFAOYSA-N 286.419 3.509 30 20 CHED CC(F)(F)CCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 842937573 FLURGJXEUOYMBY-SECBINFHSA-N 284.331 3.632 30 20 CHED CCCCCCCC(=O)O[C@H](C)C(=O)N1CCCCCC1 919223213 SFMNMYRIENVJSU-OAHLLOKOSA-N 297.439 3.681 30 20 CHED C=CC[C@@H](CC)NC(=O)NCCC[C@H]1CC1(Cl)Cl 845173121 ZJNVXHNBFLVPSV-WDEREUQCSA-N 293.238 3.614 30 20 CHED CCc1cccc2cc(CN[C@H](CC)CC#N)oc12 597085060 BFFWZZSCCSJLMM-CQSZACIVSA-N 256.349 3.777 30 20 CHED N#C[C@@H](CO)Cc1cccc(-c2ccc3c(c2)CCC3)c1 592985577 OELBKJFGZLDURO-HNNXBMFYSA-N 277.367 3.517 30 20 CHED C=CCCOC(=O)COc1ccc(Oc2ccccc2)cc1 740192547 OMKPFFIOUBHJAP-UHFFFAOYSA-N 298.338 3.977 30 20 CHED C[C@H](CN(C)C[C@@H](C#N)CCC#N)C1CCCCC1 599632752 CJQLCVCHROCXEB-HUUCEWRRSA-N 261.413 3.578 30 20 CHED CC[C@@H](CC#N)NC(=O)C1(c2ccccc2Cl)CCC1 593605092 GHSUENFNXAIBRF-LBPRGKRZSA-N 290.794 3.570 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(C)cc1C 746679323 CTZCOAPUIBPHDO-UHFFFAOYSA-N 299.330 3.666 30 20 CHED CC1(C)CCC/C(=C\c2cc3cnccc3o2)C1=O 844548262 NWLYUXPKAYVVCB-DHZHZOJOSA-N 255.317 3.990 30 20 CHED CC(C)(C#N)CC[S@@](=O)c1ccc(Cl)c(F)c1 593010019 WSWIJQZYZUHOSJ-QGZVFWFLSA-N 273.760 3.527 30 20 CHED C[C@H](c1ccccc1)n1cc(N[C@@H]2CCC[C@H](C#N)C2)cn1 592395282 VQGFFCYUCOGMQW-HLLBOEOZSA-N 294.402 3.987 30 20 CHED CC#CCCCc1nc([C@H]2CCc3ccccc3C2)no1 685318787 DOZJTCBNNJEFAN-INIZCTEOSA-N 280.371 3.688 30 20 CHED Cc1csc(NC(=O)N(C2CCCC2)C2CC2)c1C#N 594111216 WKPGUBRRGMPCDP-UHFFFAOYSA-N 289.404 3.867 30 20 CHED Cc1ncc(C=NNc2ccc(C(F)(F)F)cc2)s1 746577960 JGKJHCMRMGTKKW-UHFFFAOYSA-N 285.294 3.916 30 20 CHED N#CCN(Cc1nsc2ccccc12)C1CCCC1 595329173 OQSSLDAWHHGMBN-UHFFFAOYSA-N 271.389 3.564 30 20 CHED C#C[C@H](CC)OC(=O)c1csc(C2CCCCC2)n1 842336533 JAWVYHJPAZXLRF-GFCCVEGCSA-N 277.389 3.759 30 20 CHED C=CCC[C@H](C)OC(=O)CC[C@@H]1CC1(Cl)Cl 849876069 NVFIMGBGCVTUNR-VHSXEESVSA-N 265.180 3.858 30 20 CHED C=CC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccncc1 840934426 QILZEOQVPFMZLQ-LJQANCHMSA-N 295.430 3.863 30 20 CHED CO[C@@H](C/N=C/c1cc(Cl)ccc1O)CC(C)C 841482692 UOAXYGOEIRJWOH-WJHGTXIHSA-N 269.772 3.526 30 20 CHED CSc1ccc(NC[C@@H](O)CC(C)(C)C#N)cc1Cl 598726915 XVGMAIJQHYVGFV-NSHDSACASA-N 298.839 3.775 30 20 CHED C[C@@H](C#N)COC(=O)c1csc(C2CCCCC2)n1 842325132 SPWYNNZMYWRDIU-JTQLQIEISA-N 278.377 3.507 30 20 CHED N#CC1(CCN2CCc3c(O)cccc3C2)CCCCC1 599645776 DQANPAQZBKLNBF-UHFFFAOYSA-N 284.403 3.614 30 20 CHED Cc1c(Cl)cnc(N2CC[C@@H](C3CCC3)C2)c1C#N 591204069 AOXBOAWZRFZAQL-GFCCVEGCSA-N 275.783 3.542 30 20 CHED N#CC1(CCOC(=O)CC2CC(F)(F)C2)CCCCC1 840581887 GPFSWGVRDDLTTF-UHFFFAOYSA-N 285.334 3.829 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)CC1(C#N)CCCCC1 597304105 MXFIMGNMDHLSRZ-KBPBESRZSA-N 264.413 3.791 30 20 CHED COc1ccc2c(c1)C(=NNc1ncccc1Cl)CC2 747633348 OODVYKJULLZKGH-UHFFFAOYSA-N 287.750 3.506 30 20 CHED CCO[C@H]1CC(=NNc2cc(F)cc(F)c2)C12CCC2 741163095 OOIKUTQWTBNTMC-AWEZNQCLSA-N 280.318 3.712 30 20 CHED CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)c1 924597947 CKVZDAFNSCDTCG-QWHCGFSZSA-N 287.407 3.624 30 20 CHED C[C@H](CC(C)(C)C#N)NCCOCc1ccc(Cl)cc1 925618078 GRWJKXXVROUZEC-CYBMUJFWSA-N 294.826 3.775 30 20 CHED C=C(C)C(C)(C)C(=O)OCc1cnc(-c2ccccc2)nc1 849811395 IKUFVVAUONNRRY-UHFFFAOYSA-N 296.370 3.789 30 20 CHED Cc1ccc(C)c(C=NN[C@@H](C)c2ccccc2)c1 920386240 UYVZDGKSNJXCDN-HNNXBMFYSA-N 252.361 3.988 30 20 CHED Cc1ccc(OC(=O)c2ccc(CC#N)cc2)c(C)c1 758149830 YKRUELWEFNBOEB-UHFFFAOYSA-N 265.312 3.589 30 20 CHED CCOc1ccc(OC)cc1N[C@H](C)CC(C)(C)C#N 926082604 LGOSBTQNLJZARA-GFCCVEGCSA-N 276.380 3.834 30 20 CHED CCCn1nccc1/C=C1/CCc2ccccc2C1=O 853001356 PPVDYPOMTWQYIG-OWBHPGMISA-N 266.344 3.506 30 20 CHED C=CC[C@H](C)NCc1cc(OC)cc(C(C)(C)C)c1O 850140933 NYCOUFYOECAASA-LBPRGKRZSA-N 277.408 3.753 30 20 CHED CS[C@@H]1CCC[C@@H](N[C@H]2CCc3cc(C#N)ccc32)C1 922072661 MWXFILKXIWGBKM-INMHGKMJSA-N 286.444 3.809 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ccc(C)nc2)CCCC1(C)C 683449914 IOJPJONUEOZBCN-HNNXBMFYSA-N 287.407 3.989 30 20 CHED C=CCN(C(=O)C(F)(F)c1ccccc1)C(C)(C)C 857651370 ZPVVUPBCUCLAII-UHFFFAOYSA-N 267.319 3.592 30 20 CHED N#CCOc1cccc(NCc2csc(C3CC3)n2)c1 759109458 PXMPJVAOHBMVTD-UHFFFAOYSA-N 285.372 3.535 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)c1ccc2ccccc2c1 753310514 UKVZWAIMOSODCU-LBPRGKRZSA-N 273.763 3.812 30 20 CHED CC(CC1CC1)=NNc1ccc(OC(F)F)cc1 756826019 AVCGPJUETNQKHV-UHFFFAOYSA-N 254.280 3.876 30 20 CHED Cc1cccc(/C=C\C(=O)c2ccc(O)cc2O)c1C 757471590 GRYXFLGNRJQZEM-TWGQIWQCSA-N 268.312 3.611 30 20 CHED FC(F)(F)c1csc(NN=C/C=C/c2ccco2)n1 755905086 SBPFIBBOPYKXJN-AIZBKRNTSA-N 287.266 3.866 30 20 CHED O=C(/C=C\c1coc(-c2ccccc2)n1)c1ccccc1O 757474209 KSAOMZCBWCHTQY-KHPPLWFESA-N 291.306 3.943 30 20 CHED CC(C)(C)c1nnc(CSc2cccc(C#N)c2)o1 751479527 QMVMFRLOFOZEHT-UHFFFAOYSA-N 273.361 3.531 30 20 CHED CC(C)(O)CCON=Cc1cccc(Cl)c1Cl 754275351 AEGWQOJUZLFGSR-UHFFFAOYSA-N 276.163 3.505 30 20 CHED CCCCCCCCC(=O)N1C[C@H](C)Oc2ncccc21 752859743 DUAIZGXKKRIHGS-AWEZNQCLSA-N 290.407 3.946 30 20 CHED CC1(C)CC(=NO[C@H]2CCCCO2)c2ccc(F)cc2O1 755821034 OJSCNVVZGQDGIJ-HNNXBMFYSA-N 293.338 3.634 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](CC)CSc1ccccc1 752705455 BVQPHKVQNVLGMK-LBPRGKRZSA-N 298.839 3.609 30 20 CHED CC(CC1CCCC1)=NNc1nc2ccccc2n1C 752726515 HSZFQMUKOMTXFM-UHFFFAOYSA-N 270.380 3.941 30 20 CHED Cc1nc(Nc2ccc3c(c2)[C@@H](O)CCCC3)ccc1C#N 853811925 BIRIPATWKGWQLT-KRWDZBQOSA-N 293.370 3.765 30 20 CHED COc1cccc(/C=N/Cc2ccc(F)c(Cl)c2)c1O 750949974 LRXHFKDGWWFNET-GIJQJNRQSA-N 293.725 3.812 30 20 CHED C#CCCCCNC(=O)NC(C)(C)c1ccc(CC)cc1 758889385 RQHCPEQKJMVYFH-UHFFFAOYSA-N 286.419 3.587 30 20 CHED CCOc1ccc(/C=N/CC(C)(C)c2ccncc2)c(O)c1 768269282 MDYOOOUISLZQCT-UDWIEESQSA-N 298.386 3.583 30 20 CHED CCC(C#N)(CC)C(=O)OCc1ccc(C)cc1C 860200464 WCSKNJRGCUOWTC-UHFFFAOYSA-N 259.349 3.677 30 20 CHED C[C@@H](C#N)OC(=O)CC1CCC(C(C)(C)C)CC1 767512343 QWTIUEWBIOCNGU-HIFPTAJRSA-N 251.370 3.684 30 20 CHED N#CC1(OC(=O)c2ccc3c(c2)-c2ccccc2C3)CCC1 762091018 GSRSNDROHACDJQ-UHFFFAOYSA-N 289.334 3.861 30 20 CHED COC(=O)c1coc(C(C)=NNc2cccc(Cl)c2)c1 766428155 CPOLFIIFIDTECD-UHFFFAOYSA-N 292.722 3.556 30 20 CHED N#Cc1cccc(Br)c1Sc1ccncc1 1162886340 JDJOXVOOMVYPNB-UHFFFAOYSA-N 291.173 3.867 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)O[C@@H](C)CC#N 860546218 ZLHLZVWYOQPAAA-NSHDSACASA-N 269.300 3.714 30 20 CHED CC(C)C#CC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 1118640823 SLWFPMWFDSQVRW-KRWDZBQOSA-N 289.806 3.957 30 20 CHED CCSc1cccc(C=NNc2ccccn2)c1 769778669 UVQAFYHJSNAHHT-UHFFFAOYSA-N 257.362 3.640 30 20 CHED Cc1nc(C#N)c(NN=C[C@H](C)c2cccc(Cl)c2)o1 763355257 BMIUTDLMRZAULM-VIFPVBQESA-N 288.738 3.710 30 20 CHED FC(F)(F)c1cccnc1NN=C[C@@H]1C[C@H]2CC[C@H]1C2 762417423 GYYISWODTQAOTA-DCAQKATOSA-N 283.297 3.934 30 20 CHED CC1(C)CCC(=CC(=O)Nc2n[nH]c(C3CC3)c2C#N)CC1 870230323 FZYRTFLYRXHXMV-UHFFFAOYSA-N 298.390 3.624 30 20 CHED Cc1sc(CN[C@@H]2CC[C@H](C#N)C2)cc1Br 873134005 MGSJICVUNNBCOG-VHSXEESVSA-N 299.237 3.601 30 20 CHED C=CCN(C(=O)[C@H](C)c1ccc(F)c(F)c1)C(C)(C)C 1118846670 YHYHKOKVFYYGLH-LLVKDONJSA-N 281.346 3.881 30 20 CHED C[C@H](NCc1nccc2ccccc12)c1cccc(C#N)c1 776157432 BOTZPSOXWDJQFA-AWEZNQCLSA-N 287.366 3.957 30 20 CHED N#C[C@@H](OC(=O)CCc1ccccc1)C1CCCCC1 776360730 WBLOLCONZVYIMG-MRXNPFEDSA-N 271.360 3.635 30 20 CHED C=CCCCOC(=O)[C@H](CC)c1ccc(OC)cc1 775948806 RHYZBQGQFDJNSJ-OAHLLOKOSA-N 262.349 3.698 30 20 CHED CC(C)(C#N)CCOC(=O)/C=C\c1ccc(Cl)s1 776365222 VPDYIVAYJUYINC-XQRVVYSFSA-N 283.780 3.898 30 20 CHED C=CCCCCCN(C)C(=O)Nc1c(Cl)c(C)nn1C 888654337 NXQPIIVHAHEILU-UHFFFAOYSA-N 298.818 3.592 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1cccc(F)c1 779819552 URCNYRPDZSAFCE-UHFFFAOYSA-N 268.295 3.538 30 20 CHED Cc1ccc(/C=C2/CC(=O)Nc3ccccc3C2=O)cc1C 774143102 BLAYWICKCXCOTB-GDNBJRDFSA-N 291.350 3.912 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)Cc1ccco1)c1ccccc1 777514155 JKXSNVSEAIHNOT-RHSMWYFYSA-N 283.371 3.687 30 20 CHED CC(C[C@H]1CCOC1)=NNc1nc2ccccc2cc1C 776786431 UZRWOVFHZNTKHB-CQSZACIVSA-N 283.375 3.758 30 20 CHED CCc1c(C(C)=NOC2CCOCC2)oc2ccccc12 774444459 MNKWPQZBRAUIFC-UHFFFAOYSA-N 287.359 3.915 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1 779459883 IBKRWIRSHKUZBG-WAYWQWQTSA-N 268.703 3.503 30 20 CHED C[C@H]1CCC[C@@H](C(=O)O[C@@H](C)c2cccc(C#N)c2)C1 1127021755 YHWVKYGLFXPWFS-HEHGZKQESA-N 271.360 3.989 30 20 CHED C=CCC[C@H](C)N[C@H](Cn1ccnc1)c1ccccc1 883388447 VLVKYSUXKLAIFK-DOTOQJQBSA-N 269.392 3.569 30 20 CHED C[C@@H]1C[C@H]1C=NOCc1ccc(F)cc1Br 780282063 BFEGUDSFASMFSU-SCZZXKLOSA-N 286.144 3.747 30 20 CHED O=C(/C=C/c1scnc1C1CC1)c1cccc(O)c1 782303547 MFUUFMXDDQNLCM-VOTSOKGWSA-N 271.341 3.622 30 20 CHED Cn1c(Cl)cnc1[C@H](C#N)C(=O)CCC1CCCCC1 1123338243 ZJCUWKMLZKVQKD-GFCCVEGCSA-N 293.798 3.610 30 20 CHED CCC(CC)NN=Cc1ccc2nc(C)ccc2c1 783515905 CFOBSAZHSNWULU-UHFFFAOYSA-N 255.365 3.655 30 20 CHED COc1ccc(N(C)Cc2ccc(CC#N)cc2)cc1F 784164542 ASMFJRQVDCZNQA-UHFFFAOYSA-N 284.334 3.537 30 20 CHED C=C(Cl)CNC(=O)CCC[C@@H](C)c1cccc(OC)c1 788752311 UDELITSHGPIFSD-GFCCVEGCSA-N 295.810 3.838 30 20 CHED CCC(Cc1ccccc1)=NNc1ccnc(F)c1 781131773 BTJVQBPVYMPLCN-UHFFFAOYSA-N 257.312 3.641 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1cc2cc[nH]c2cn1 1123425423 JSUAOFUYMZAUPM-CYBMUJFWSA-N 284.363 3.525 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CCCc2ccsc2)C1 783506732 VUKGHCLZSJYWGQ-CJNGLKHVSA-N 290.432 3.659 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)CCc1ccccc1 780036860 IMEMFNYAMSQZTO-UHFFFAOYSA-N 299.757 3.888 30 20 CHED CCSCCSCc1ccc(C#N)c(C)c1 783177122 KZOMBUQUFBSOFE-UHFFFAOYSA-N 251.420 3.853 30 20 CHED CN(C(=O)C1(C#N)CCCCC1)c1nsc2ccccc12 892736240 BVNGDFSOBVYOPH-UHFFFAOYSA-N 299.399 3.733 30 20 CHED Cc1cccc(N(C)Cc2ccc(N(C)CCC#N)cc2)c1 780896610 PSLHAJFIRCMWPM-UHFFFAOYSA-N 293.414 3.981 30 20 CHED C[C@@H](C=Nn1ccccc1=O)c1ccc(C(F)(F)F)cc1 789038383 WFCFRWSGNCEXIU-NSHDSACASA-N 294.276 3.505 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 781164259 PCGSGACWKCBYDH-UONOGXRCSA-N 289.375 3.731 30 20 CHED CC(C)(C#N)CC(=O)OCCCOc1ccc(Cl)cc1 785078510 OKHKYYFWSHVBFI-UHFFFAOYSA-N 295.766 3.592 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@@H](C)c1cccc(C#N)c1 784873368 JFYNAPNWEIEBMC-BLLLJJGKSA-N 257.333 3.765 30 20 CHED CC(C)(C#N)CCCOC(=O)/C=C/c1ccc(Cl)nc1 784405472 QZLRMLVKFYPZOQ-FNORWQNLSA-N 292.766 3.621 30 20 CHED CC1CCC(C)(CNC(=O)c2ccccc2CC#N)CC1 1139961645 QMAKXXMJKLILSA-UHFFFAOYSA-N 284.403 3.699 30 20 CHED C=CC(C)(C)Cc1nc(C(C)(C)c2ccncc2)no1 896953564 MZXGOISWAZBZIJ-UHFFFAOYSA-N 271.364 3.545 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 795992182 VXTIADLORJJXHJ-ZJIFWQFVSA-N 276.424 3.647 30 20 CHED Cc1cc(OC(=O)[C@@H](c2cccnc2)C(C)C)ccc1C#N 798214485 JMMPWGMJOQTHRB-QGZVFWFLSA-N 294.354 3.607 30 20 CHED N#Cc1ccc(N2CC[C@@H](c3ccccn3)C2)c(Cl)c1 893674704 FJZNMVRAGZAOOW-CYBMUJFWSA-N 283.762 3.601 30 20 CHED N#Cc1csc(CNCCC2CCC(F)(F)CC2)c1 898031561 ITVHZHXTCPYEAZ-UHFFFAOYSA-N 284.375 3.925 30 20 CHED C#Cc1cncc(C(=O)Nc2ccccc2-c2ccccc2)c1 798242940 NPAYHINHGNUJRR-UHFFFAOYSA-N 298.345 3.982 30 20 CHED C[C@]1(C=NNc2cc(F)cc(F)c2)CCCS1 792987805 UULJUSOFDUQCIG-GFCCVEGCSA-N 256.321 3.648 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)c1ccc2c(c1)CCC=C2 793192889 VLDGYTHUYOAHLP-OAHLLOKOSA-N 269.344 3.741 30 20 CHED CC(C)O[C@@H](C=NOCC(F)(F)F)c1ccccc1 793028022 VXPIAUGHFZBADA-LBPRGKRZSA-N 275.270 3.717 30 20 CHED O=[N+]([O-])c1cc(NN=C2CCC[C@H]2CCF)ccc1F 794930016 AFIZTVWMFWNVTN-VIFPVBQESA-N 283.278 3.662 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 1219113039 FCOSMNLPCACQTG-ARFHVFGLSA-N 297.402 3.957 30 20 CHED N#Cc1cc(F)ccc1N[C@@H]1CCc2cc(F)ccc21 135240013 UNYGTPHLQHTGSQ-MRXNPFEDSA-N 270.282 3.936 30 20 CHED N#Cc1cnc(SCC2CCCC2)c(Br)c1 1164365204 YNVMILWOXXVREZ-UHFFFAOYSA-N 297.221 3.998 30 20 CHED Cc1ccc(NN=C2COc3cc(O)ccc32)cc1Cl 1318981541 MGYNJGNDEFVKJH-UHFFFAOYSA-N 288.734 3.563 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2)ccc1F 1319468176 PIAOUGHNRPOAMZ-CSKARUKUSA-N 256.276 3.730 30 20 CHED C[C@H](CCC#N)N(C)Cc1csc(Br)c1 276311830 MNLFMBGENUNQFQ-SECBINFHSA-N 287.226 3.635 30 20 CHED N#Cc1cccc(COc2ccc3ncccc3c2)c1 92313140 HRAHLGIHIFLBFH-UHFFFAOYSA-N 260.296 3.685 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Br)c(O)c1 1327867328 WZZPTOMSTLKNPO-UHFFFAOYSA-N 298.180 3.696 30 20 CHED C#CCOc1ccc(NC(=O)[C@H](CC)CCCC)cc1 730980922 YMZPVHLOXSAGPI-CQSZACIVSA-N 273.376 3.854 30 20 CHED N#Cc1cccc(N2CCC(C3CCCCC3)CC2)n1 708860315 GKMIXTZMSQTFJR-UHFFFAOYSA-N 269.392 3.750 30 20 CHED C[C@@]1(c2nnc(-c3ccc(C#N)cc3)o2)CC=CCC1 1326986850 DZRMWVXXFYVRKK-MRXNPFEDSA-N 265.316 3.606 30 20 CHED C=CCC(CC=C)c1nnc(CCN2CCC(C)CC2)o1 1328380621 QIMLLULPWYGWGQ-UHFFFAOYSA-N 289.423 3.580 30 20 CHED COCc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 194661960 NOJHQGASRZGONY-ZDUSSCGKSA-N 266.344 3.878 30 20 CHED CON=Cc1ccc(-c2nnc(-c3ccccc3F)o2)cc1 1322309478 JFENGTXAASBARG-UHFFFAOYSA-N 297.289 3.523 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1nc(C)cs1 80272783 PVFDCXZLVWLYFB-CYBMUJFWSA-N 288.416 3.867 30 20 CHED Cc1ccc(C)c(C2CCN(c3ccc(C#N)cn3)CC2)c1 1187823931 KUDYSJLNLQVSRW-UHFFFAOYSA-N 291.398 3.954 30 20 CHED C=C(C)CCC(=O)NCc1cccc(OC(F)(F)F)c1 1338461010 HUKKJEZIXUBWHT-UHFFFAOYSA-N 287.281 3.558 30 20 CHED C[C@@H](CCc1ccccc1)N[C@H](C)CC(C)(C)C#N 695816610 PFZYZBBUHIIUCK-LSDHHAIUSA-N 258.409 3.926 30 20 CHED C#Cc1cccc(N(C)C(=O)Nc2ccc(C)cc2)c1 766398210 JVSFJKQNXXOPAG-UHFFFAOYSA-N 264.328 3.645 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CC[C@@H](C)c1ccccc1 1337717162 VXMYZIKGPXDSTJ-GDBMZVCRSA-N 272.392 3.721 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)c2ccccc21 1336215113 BEQVJVYBGIJUDP-PBHICJAKSA-N 297.398 3.704 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2C)C1 1265313535 JMZWDXXREQQSKL-ZFWWWQNUSA-N 270.376 3.565 30 20 CHED Cc1ccc(C[C@H](C)C(=O)[C@@H](C#N)c2cccc(F)n2)cc1 1263379563 PWFDAJLFIHBYTI-ZFWWWQNUSA-N 296.345 3.584 30 20 CHED C=C(CC(C)C)C(=O)Nc1nc(C2CCOCC2)cs1 1263824379 HVORVVLFTJEQAD-UHFFFAOYSA-N 294.420 3.578 30 20 CHED CSc1ccccc1C(=O)/C=C\c1c(C)n[nH]c1C 1344574038 GPLLPCULRBKLOU-HJWRWDBZSA-N 272.373 3.645 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2cccc(OCC#N)c2)C1(C)C 1262364756 HFJUOBCXSQSMKR-HZPDHXFCSA-N 288.391 3.593 30 20 CHED C=C1CCN(C(=O)Nc2ccc3oc(CC)nc3c2)CC1 1341119838 IFYPYKKOGLRWJJ-UHFFFAOYSA-N 285.347 3.574 30 20 CHED C=C(C)CCNC(=O)c1cc(C)n(Cc2ccccc2)c1C 1348008888 GXRURJCEBZQVIL-UHFFFAOYSA-N 296.414 3.849 30 20 CHED C=C(C)Cn1c(N2CCCC(C)(C)C2)nnc1C(C)(F)F 1342483791 LSRMUFRAUJTMMK-UHFFFAOYSA-N 298.381 3.592 30 20 CHED CC(Cn1cccn1)=NN[C@@H](C)c1ccc(C(C)C)cc1 1355585152 VYJBYJVIIMQJNH-HNNXBMFYSA-N 284.407 3.733 30 20 CHED C=CCn1c([C@@H]2CC=CCC2)nnc1N1CC[C@@H](C2CC2)C1 1352041092 NQULXTQEVCAHFD-HZPDHXFCSA-N 298.434 3.524 30 20 CHED CCOc1ccc(NC(=O)c2ccc(C#N)cc2F)c(C)c1 1355418218 PHIROGCPDMLFEA-UHFFFAOYSA-N 298.317 3.657 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H]1C 1359141845 TYLHVRMJPJKSCX-PWSUYJOCSA-N 282.819 3.533 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccoc1C1CC1 1514858224 DKZTZZVWGGSRBE-CYBMUJFWSA-N 259.349 3.728 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)Cc1c[nH]c2cnccc12 1515515533 WYJWGQXULLJTRO-CXAGYDPISA-N 298.386 3.784 30 20 CHED Cc1nc(N[C@@H]2C[C@H]2c2ccccc2Cl)ccc1C#N 1458491430 OFDNOPLIDSTCAQ-DZGCQCFKSA-N 283.762 3.883 30 20 CHED CC[C@@H](OC(=O)c1cccc(C#N)n1)c1ccc(F)c(C)c1 1528083067 VTHSTUHXJCKVTG-MRXNPFEDSA-N 298.317 3.709 30 20 CHED C=CCC[C@@H](NC(=O)NCCC(F)F)c1ccccc1 1521413674 AIYQLGUHFTZFIR-CYBMUJFWSA-N 282.334 3.648 30 20 CHED Cc1ccc(CSc2ccc(C#N)c(C)c2)nc1 1459143780 UYDHWRHIRWULPI-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C=C(Cl)COC(=O)c1cccc(C(F)(F)F)c1 916610124 WZOQMDPQIDNESD-UHFFFAOYSA-N 264.630 3.615 30 20 CHED N#Cc1cc(F)cc(NC(=O)C2[C@H]3CCCCCC[C@H]23)c1 1462170834 MXMUYQKUZQPOJI-GJZGRUSLSA-N 286.350 3.852 30 20 CHED Cc1cnc(SCc2ccc(C#N)cc2)c(C)c1 1473059992 PZYYEFROWJLGCD-UHFFFAOYSA-N 254.358 3.862 30 20 CHED COc1cccc(Cl)c1NC(=O)c1ccc(C#N)s1 1545064317 YZNUTSUPKQRKQR-UHFFFAOYSA-N 292.747 3.534 30 20 CHED C[C@]12CN(Cc3ccc(CC#N)cc3)C[C@H]1[C@H]1CC[C@@H]2C1 1620627227 PBPQRZYSWINGNW-ZSYWTGECSA-N 280.415 3.621 30 20 CHED CCCNc1ccccc1NC(=O)c1cc(C#N)ccc1C 1633768597 WFYGWCINANCRSY-UHFFFAOYSA-N 293.370 3.941 30 20 CHED C[C@H](Nc1cncc(C#N)n1)c1cccc(C(F)(F)F)c1 1639143740 SUDSENIAXJAJRS-VIFPVBQESA-N 292.264 3.540 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](C#N)C1 1631058264 VYVJCUBZVKNNLL-JYJNAYRXSA-N 291.439 3.536 30 20 CHED COc1ccc(C[C@@H](C)CNc2cccc(F)c2C#N)cc1 1642518561 ADOHROGIRISPKE-CYBMUJFWSA-N 298.361 3.997 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)c1ccc2c(c1)CCC2 1645112392 SGNFUSHVBNVVEH-OAHLLOKOSA-N 290.410 3.940 30 20 CHED C=CCCCCCCNC(=O)C1(C(=O)O)CCCCCC1 1588458859 VSONOZZRNOPEPW-UHFFFAOYSA-N 295.423 3.664 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(-c3cccs3)on2)cc1 1654698321 PFRNCLUUUKOPIZ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CSc1c(F)cccc1NC(=O)c1sccc1C#N 1586051918 ILYRGARCSIBOCU-UHFFFAOYSA-N 292.360 3.733 30 20 CHED C=CC[C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C(=O)O 1776151971 MFTOORJBPRYVFV-ZDUSSCGKSA-N 289.375 3.870 30 20 CHED Cc1c(NN=C2CC[C@H](C)C[C@H]2C)cccc1C(=O)O 1776087483 FNJCMINSQOMCJK-WDEREUQCSA-N 274.364 3.917 30 20 CHED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1 12512449 DOHKNPPHNLCXII-QGZVFWFLSA-N 294.354 3.600 30 20 CHED N#Cc1ccccc1NCc1ccc(Br)cc1 19921333 UKGXICLTYUBMCC-UHFFFAOYSA-N 287.160 3.933 30 20 CHED Cc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)oc1C 150693546 XLQDUSMKABQPQT-UHFFFAOYSA-N 288.734 3.698 30 20 CHED Cc1nnc(-c2cccc(NCc3cccc(C#N)c3)c2)o1 150985131 XDYLBZICWPDDHH-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C=CCN(C)C(=O)c1ccc(-c2ccccc2)cc1 161808037 HINMSIGGQFDAJR-UHFFFAOYSA-N 251.329 3.612 30 20 CHED CC#CCCNC1CC(c2ccc(Br)cc2)C1 158349436 HXJQWZLWEBVKDH-UHFFFAOYSA-N 292.220 3.698 30 20 CHED CC[C@H](C#N)OC(=O)c1cccc(-c2ccccn2)c1C 164141894 TXDUZTFZKJRHHX-CYBMUJFWSA-N 280.327 3.516 30 20 CHED Cc1ccc(NCc2cccc(OCCCC#N)c2)nc1 157456299 UTESOMOQUILURL-UHFFFAOYSA-N 281.359 3.685 30 20 CHED N#Cc1cccc(CN2CC[C@H]3CCCC[C@@H]3C2)c1F 223516704 RDICNTOWNWYXOW-UKRRQHHQSA-N 272.367 3.709 30 20 CHED N#Cc1ccc(CNc2cc3c(cc2Cl)OCO3)s1 123879916 KHWQLTNQUNDHNR-UHFFFAOYSA-N 292.747 3.614 30 20 CHED COc1cc(CN(C)CC2CCCCC2)ccc1C#N 234920803 JXAULBONKXDDAJ-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C[C@@H]1CCC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 42373858 FEPVLBIXXYFELB-DOMZBBRYSA-N 260.356 3.708 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1C 165234294 WANSNQARBQKSHA-DOTOQJQBSA-N 256.393 3.925 30 20 CHED CC[C@@H](CC#N)NC(=O)CCSc1ccccc1Cl 183923681 RYYVRPJBVQQUSU-NSHDSACASA-N 296.823 3.631 30 20 CHED C=CC[C@H](C)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 400602057 WYOASPOZUISWJL-UONOGXRCSA-N 296.455 3.576 30 20 CHED Cc1ccsc1[C@H](C)NCc1ccc(C#N)c(F)c1 404862337 XCXSSAXXABLQEH-NSHDSACASA-N 274.364 3.918 30 20 CHED C=CCCCCN[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 309752212 WGOVIXHQAOEXGL-LSDHHAIUSA-N 296.455 3.626 30 20 CHED N#Cc1ccc2c(c1)N(C[C@@H]1CCCC(F)(F)C1)CC2 514089880 OJRXWKZLRSNDSB-CYBMUJFWSA-N 276.330 3.746 30 20 CHED CC[C@H](CC#N)NCc1cc(Cl)sc1Cl 312598505 JCRXLSDHIDGTLK-MRVPVSSYSA-N 263.193 3.837 30 20 CHED CN(Cc1ccc(CC#N)cc1)[C@H]1CCC(C)(C)C1 483127330 WRNREVZVZCBVJB-INIZCTEOSA-N 256.393 3.763 30 20 CHED C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 692879870 UXHWALSRYUJSBT-JKIFEVAISA-N 261.409 3.511 30 20 CHED C#CCCCCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714395646 VMLXRMYWQKMPIF-OWCLPIDISA-N 261.409 3.513 30 20 CHED C[C@H](COCc1ccccc1)CSCCCC#N 902547462 ABALXMKZPLGJOF-CQSZACIVSA-N 263.406 3.876 30 20 CHED C[C@@H]1CCCC[C@H]1CNc1cccc(OCC#N)c1 394785858 JHNZKUDZXZAPSY-KGLIPLIRSA-N 258.365 3.827 30 20 CHED Cc1ccc(/C=C2\Cc3c(O)cccc3C2=O)c(C)c1 11336008 MMECYOZJSJJVBD-NTEUORMPSA-N 264.324 3.831 30 20 CHED N#Cc1cccc(CNC23CC4CC(CC(C4)C2)C3)c1 19885974 JGYXTARKKVZEOW-UHFFFAOYSA-N 266.388 3.617 30 20 CHED Cc1ccc(F)c(NCc2ccc(C#N)cc2F)c1 20362856 XVODGTYBJPPZBX-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccccc2cc1O 35160307 VUSJVSRBUPBAAZ-UHFFFAOYSA-N 269.344 3.584 30 20 CHED COc1ccccc1C[C@H](C)Nc1cccc(C#N)c1 37203210 KWAJGVYGVHMSSY-ZDUSSCGKSA-N 266.344 3.610 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCC(C)C 63401835 WSIYMOOLEGKERJ-UHFFFAOYSA-N 299.418 3.692 30 20 CHED CCCN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 66955081 PTRBWXGRNRFQLR-LBPRGKRZSA-N 291.420 3.955 30 20 CHED CC(C)CCOc1ccc(/C=C/C(=O)c2cnn(C)c2)cc1 68395894 WQNCQYCUVYGAOP-RMKNXTFCSA-N 298.386 3.741 30 20 CHED CC[C@H](C)[C@H](C(=O)NCCCCC#N)c1ccccc1 70940615 MXQJNDALPYSJRG-HOCLYGCPSA-N 272.392 3.626 30 20 CHED COC(=O)c1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)o1 72059086 SUALLVLNBUSAQG-SOFGYWHQSA-N 284.311 3.579 30 20 CHED CC(=O)Nc1cccc([C@H](C)/N=C/c2ccccc2O)c1 75580856 DKOFKYGCLKUQOI-HWQJWEFDSA-N 282.343 3.531 30 20 CHED N#Cc1cccc(CN[C@H]2CCC[C@@H](C3CC3)C2)c1 77898365 WNZOJADRQLPHJR-SJORKVTESA-N 254.377 3.617 30 20 CHED CCCCCN(C(=O)c1cc(C#N)cs1)C(C)C 84077072 ITDKZKRMUZYQRR-UHFFFAOYSA-N 264.394 3.661 30 20 CHED Cc1noc(C)c1[C@H](C)Nc1ccc(C#N)cc1Cl 92330864 HOYMXMOXNNELBJ-QMMMGPOBSA-N 275.739 3.990 30 20 CHED CCC(CC)CN(CCC#N)c1nc(C2CC2)ns1 92688500 XKEHTYGKVQSMKT-UHFFFAOYSA-N 278.425 3.572 30 20 CHED C=CCCCCCN(C)Cc1ccc([S@](C)=O)cc1 93498069 QOWLMNCKRYDNAS-LJQANCHMSA-N 279.449 3.602 30 20 CHED C=CCCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 102213613 KKDVQTVIMHHNGH-UHFFFAOYSA-N 280.323 3.789 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc2ccccc2n1 106422569 HAHTWXKSIUDAHE-UHFFFAOYSA-N 295.386 3.827 30 20 CHED Cc1nc2c(s1)[C@@H](OC(=O)c1cccc(C#N)c1)CCC2 112767721 OROGQTYSBZSIGD-AWEZNQCLSA-N 298.367 3.558 30 20 CHED Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(C)c1 116814302 QGTUCSUYIJAJKW-SUMWQHHRSA-N 270.376 3.506 30 20 CHED C=C(C)CN1CCC(NCc2coc3ccccc23)CC1 121330546 WSQIJZPCPBVTNZ-UHFFFAOYSA-N 284.403 3.563 30 20 CHED COc1cccc(C(C)(C)CNCc2ccc(C#N)cc2)c1 121501101 XDHACBPTCNSBKC-UHFFFAOYSA-N 294.398 3.634 30 20 CHED C#CCCCCC(=O)Nc1ncccc1-c1ccccc1 121622077 WSHGNJBSKUMYNH-UHFFFAOYSA-N 278.355 3.881 30 20 CHED C=C(C)Cn1c(SCCCC)nnc1-c1ccncc1 123322134 VYRCZPRMBYTGKO-UHFFFAOYSA-N 288.420 3.808 30 20 CHED C=CCC[C@@H](O)CN[C@H](c1ccc(F)cc1)C1CCC1 127140650 SVOFUFKORUHQKZ-SJORKVTESA-N 277.383 3.584 30 20 CHED Cc1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1O 127730152 YKMUVLWTPFFNLU-UHFFFAOYSA-N 294.354 3.754 30 20 CHED N#CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 131375298 BJCRMZFUTYTFJB-RRFJBIMHSA-N 274.408 3.545 30 20 CHED Cc1cc(OC[C@H](C#N)CCC#N)ccc1Br 153921688 KAVSTWANMDKINP-NSHDSACASA-N 293.164 3.580 30 20 CHED C=C(C)CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 154331308 MYUXIVNEBIDTEN-UHFFFAOYSA-N 283.158 3.781 30 20 CHED C=CCN(C)C(=O)N[C@@H](C)c1ccc(SCC)cc1 154480209 RMJQHVWKVNLXMJ-LBPRGKRZSA-N 278.421 3.687 30 20 CHED C=CCC[C@H](NC(=O)C1=C(C)OCCC1)c1ccccc1 160772330 OOLMAHBSDOGTMC-KRWDZBQOSA-N 285.387 3.895 30 20 CHED CC(C)n1cc(C#N)c(NC(=O)CC2CCCCCC2)n1 161085205 ACKLTAVRTQDUMW-UHFFFAOYSA-N 288.395 3.635 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)[C@@H]1COc2ccccc21 166332133 VFCVKKKOSISSPO-WBMJQRKESA-N 264.328 3.535 30 20 CHED CC(C)(C#N)CNCc1ccc(SC(F)(F)F)cc1 168932729 KOJUCTUYWIYTDA-UHFFFAOYSA-N 288.338 3.938 30 20 CHED N#CCCCCNC(=O)N(Cc1ccccc1)CC1CCC1 170886091 WOKILGXPXNTLNT-UHFFFAOYSA-N 299.418 3.692 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2C)cc1 171309975 ATRACKPYEDPIIM-UHFFFAOYSA-N 297.354 3.821 30 20 CHED Cc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1ccccc1F 172406527 WHNOVGMTRYKAFV-CYBMUJFWSA-N 296.345 3.823 30 20 CHED CC[C@@H](C)NC(=O)[C@H](Sc1ccccc1C#N)C(C)C 173710521 PIZLRHYHBLDBCK-IUODEOHRSA-N 290.432 3.590 30 20 CHED CCc1nc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cs1 174078172 OVYLMTKEEQWOHY-RYUDHWBXSA-N 285.416 3.989 30 20 CHED C[C@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(C#N)cc2)C1 174309019 SRXDNJHVKNTKMR-QWHCGFSZSA-N 271.364 3.601 30 20 CHED C[C@@H](NCc1cccc2cccnc12)c1cccc(C#N)c1 174431904 OEIPQRZZIHWULU-CQSZACIVSA-N 287.366 3.957 30 20 CHED N#Cc1ccc(CSCc2nccn2C(F)F)c(F)c1 175312288 AGWWJTQOZRSLHH-UHFFFAOYSA-N 297.305 3.722 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1nc2c(s1)CCCC2 175543275 JZMDNOWPYZZQOY-UHFFFAOYSA-N 297.427 3.526 30 20 CHED C=CCCCC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 175697434 VJHDZCRJQVIUFJ-ZBFHGGJFSA-N 257.377 3.747 30 20 CHED CC(C(=O)Nc1ccc(CC#N)cc1)=C1CCCC1 176509322 SZVZTDMSEGZNIM-UHFFFAOYSA-N 254.333 3.582 30 20 CHED CCC(CC)[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)CCO1 180374478 SBQMEOXPAMOUAS-ROUUACIJSA-N 286.419 3.632 30 20 CHED Cc1cc(CNCc2cc(C#N)cs2)ccc1Cl 184333931 MTENBOFPEKVUIL-UHFFFAOYSA-N 276.792 3.871 30 20 CHED COC[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccco1 184623509 IUXLCTQCXUNSTH-MRXNPFEDSA-N 298.386 3.558 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 185085899 ADAHBQXOSLZRNT-NSHDSACASA-N 297.320 3.932 30 20 CHED CC#CCCCC(=O)N[C@H](c1ccccc1)C1CCC1 185475510 BDUWMDOJPDZFMU-GOSISDBHSA-N 269.388 3.838 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc(OCC3CC3)cc2)C1 185729253 UXRWFPXOLPLAKS-GDBMZVCRSA-N 270.376 3.970 30 20 CHED CCCCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187279696 MGVSYKBXDXORJW-UHFFFAOYSA-N 264.413 3.791 30 20 CHED C=CCCN(Cc1nc(C)cs1)OCc1ccccc1 187388980 KPGFHQSVUQXYCM-UHFFFAOYSA-N 288.416 3.961 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 187986208 YMDPSNPTHVJHND-ABAIWWIYSA-N 294.345 3.846 30 20 CHED CC[C@H](CC#N)OC(=O)c1ccc(-c2ccccc2F)o1 188027452 HFVOEJUIFWIQGR-LLVKDONJSA-N 287.290 3.935 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1c[nH]nc1-c1ccsc1 189013106 LHXLTXHHQSZHOQ-LLVKDONJSA-N 289.404 3.613 30 20 CHED C=CCC1(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)CCC1 190041903 UWVPVFUZUUELBZ-UHFFFAOYSA-N 297.320 3.809 30 20 CHED CCCCCCCC[S@](=O)Cc1noc(C(C)C)n1 190793693 JXAJCIAIFLHBQV-IBGZPJMESA-N 286.441 3.802 30 20 CHED CCCCCCCCCC(=O)NC[C@H]1CCCOC1 193663697 YUTXDLRZLKVEFX-OAHLLOKOSA-N 269.429 3.670 30 20 CHED C=C(Br)CNC[C@@H](c1ccccc1)C(C)C 232700124 LAXWMMOOSXRRAK-CQSZACIVSA-N 282.225 3.924 30 20 CHED C[C@@H](Cc1ccsc1)Nc1nc(Cl)c(C#N)s1 235139697 OAYPENHPVSECEM-ZETCQYMHSA-N 283.809 3.773 30 20 CHED CS[C@H]1CCC[C@H](Nc2nc(Cl)c(C#N)s2)C1 235235817 YMRPIUIXNVZGMT-YUMQZZPRSA-N 287.841 3.754 30 20 CHED Cc1csc(Sc2nccc(C#N)c2Cl)n1 235933743 IXCDVUDBQWGJQY-UHFFFAOYSA-N 267.766 3.523 30 20 CHED Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1[N+](=O)[O-] 237476882 HTTZDAVVVZEAHZ-CYBMUJFWSA-N 295.342 3.626 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1-n1cccn1 248890878 SQASEUNZOXQMBY-XHSDSOJGSA-N 294.402 3.605 30 20 CHED N#Cc1ccc(C(=O)CCc2ccccc2C=S)cc1 253533269 LZCJUYZRYSWZMG-UHFFFAOYSA-N 279.364 3.722 30 20 CHED O=C(/C=C\c1ccc(F)cc1)c1ccc(O)c(F)c1 255310517 BJKYZPDQNAOSIK-CLTKARDFSA-N 260.239 3.567 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc([N+](=O)[O-])c(O)c1 255353911 LEFMWKIFOPWLFF-CLFYSBASSA-N 283.283 3.505 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2ccccc2O)c1C 255540053 BNIKMBNADOGOJN-KTKRTIGZSA-N 284.359 3.512 30 20 CHED N#C[C@@H](Cc1ccccc1)C(=O)CC1CCCCC1 261508779 WVPNNXRHPSMBNV-MRXNPFEDSA-N 255.361 3.908 30 20 CHED N#CCN(Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 264205427 KQUCLVNRFTZPQT-UHFFFAOYSA-N 287.366 3.713 30 20 CHED CC1(c2ccccc2)CCC(NC(=O)C2(C#N)CCC2)CC1 269073346 VHIFBSUGKLXNKC-UHFFFAOYSA-N 296.414 3.697 30 20 CHED Cc1cccc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)c1C 271834695 UYGQGEMRCAIYCA-BEFAXECRSA-N 294.398 3.559 30 20 CHED Cc1cncc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 274676546 ZDFFQNGALMTWOA-ZIAGYGMSSA-N 265.360 3.674 30 20 CHED COc1cc(CN(C)[C@H](C)CCC#N)ccc1SC 276272219 DCUHMLZKCOASFO-GFCCVEGCSA-N 278.421 3.541 30 20 CHED CC(C)[C@@H]1C[C@H](Nc2ccc(CC#N)cc2)CS1 277388158 YBQBVQAYBOVNBS-GJZGRUSLSA-N 260.406 3.695 30 20 CHED C[C@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1Cl 278286073 GLQKEZDAVWUIFA-VIFPVBQESA-N 282.746 3.596 30 20 CHED C[C@H](CC#N)Nc1nc2cc(Cl)cc(Cl)c2o1 278967801 YXWSFKXIVUICIP-ZCFIWIBFSA-N 270.119 3.849 30 20 CHED N#CCCCNCCCCc1cccc(C(F)(F)F)c1 280244628 KGNFBCHXNTZNEI-UHFFFAOYSA-N 284.325 3.921 30 20 CHED CC(C)Cc1noc(-c2ccc(C(C)(C)C#N)cc2)n1 280313838 OQVKIUAASNOHHZ-UHFFFAOYSA-N 269.348 3.736 30 20 CHED CCc1ccc([C@H](C)NC(=O)c2cc(C#N)oc2C)cc1 280622952 RUIQDPAVKLREPY-NSHDSACASA-N 282.343 3.513 30 20 CHED C=CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 280639801 AFCFMOCDJDBGBF-LSDHHAIUSA-N 290.794 3.556 30 20 CHED N#CCCN1CCC[C@H]1c1ccc(Br)c(F)c1 280661381 DWKPYHYXVOYGTH-ZDUSSCGKSA-N 297.171 3.639 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccoc1C(C)C 280722356 KJPQLQVDFISLHV-UHFFFAOYSA-N 298.342 3.926 30 20 CHED Cc1ccc2c(C(=O)N(C)[C@H](C)CC#N)csc2c1 281546212 SMZPAJJEORDZEG-LLVKDONJSA-N 272.373 3.584 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1ccc(C(C)(C)C)cc1 285286225 CENXUNILPGIQAH-QGZVFWFLSA-N 272.392 3.540 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)c1ccc2ccccc2c1 285576294 UTOCTFQTRQUFFA-QGZVFWFLSA-N 266.344 3.742 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1cc[nH]c1CC 285662129 MGHIWDWKVNEETG-UHFFFAOYSA-N 296.374 3.523 30 20 CHED C#CCC1(c2nc(-c3cncc(C)c3)no2)CCCCC1 288914065 HADHKMIIZCQABC-UHFFFAOYSA-N 281.359 3.665 30 20 CHED CC#CCCCc1nc(-c2ccc(Cl)cc2OC)no1 289119161 MNLDSUXIICAPBK-UHFFFAOYSA-N 290.750 3.745 30 20 CHED CC(C)(C)c1ccc2c(c1)CCN2C(=O)CCCC#N 291691510 MQUXGYZKFMYMMN-UHFFFAOYSA-N 270.376 3.567 30 20 CHED CC1(C)CN(c2cccc(F)c2C#N)[C@H]1c1cccnc1 292007331 ZCJZMRZRUFFRTM-INIZCTEOSA-N 281.334 3.680 30 20 CHED Cc1ccccc1[C@H](O)CNc1cc(Cl)ccc1C#N 301295938 XLJGBQMDTWLZML-MRXNPFEDSA-N 286.762 3.666 30 20 CHED CC(C)[C@H]1CN(c2ccc3cc(C#N)ccc3n2)CCS1 301812768 HOPRSBOODUWSGN-MRXNPFEDSA-N 297.427 3.684 30 20 CHED CCOc1ccc(CNc2c(C#N)cccc2C#N)cc1F 302888426 OLTOEICJBCEGRO-UHFFFAOYSA-N 295.317 3.580 30 20 CHED CC(C)(CNCc1cc(C#N)cs1)C1=CCCC1 308754958 JSCBCIOMHIOKPW-UHFFFAOYSA-N 260.406 3.846 30 20 CHED C=C(C)CNc1cc(Br)ccc1OCC 308972860 AJUHFBUSCAVVGC-UHFFFAOYSA-N 270.170 3.836 30 20 CHED C=CCCCCN[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 309752210 WGOVIXHQAOEXGL-GJZGRUSLSA-N 296.455 3.626 30 20 CHED Cc1nc(Sc2ccc(F)cc2F)ccc1C#N 310874127 GNMPNYFHLXIBNI-UHFFFAOYSA-N 262.284 3.691 30 20 CHED CC(C)(CC#N)CNC(=O)c1c(Cl)cccc1Cl 315685880 WHZNLPCDKZOMGA-UHFFFAOYSA-N 285.174 3.663 30 20 CHED O/C(C/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)=N/C1CC1 329188820 PLUFRPDJIQSGSY-FPMFFAJLSA-N 278.396 3.668 30 20 CHED C[C@H](/N=C(/O)C[C@H]1CCc2ccccc2C1)c1ccon1 329204058 YSVNJKLHUNSZEM-STQMWFEESA-N 284.359 3.887 30 20 CHED N#Cc1cc(/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccn1 329969385 UMRWYOXIEIUJEP-KCQAQPDRSA-N 283.375 3.617 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)c1ccccc1OC(F)(F)F 330667210 SYVWVJKEFUKQRZ-ONGXEEELSA-N 298.264 3.582 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 332671849 FIQNPAJLJASNOF-TUVASFSCSA-N 276.424 3.647 30 20 CHED N#CCc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 332937340 XOZDWYLHYHRCPO-BFYDXBDKSA-N 297.402 3.843 30 20 CHED C[C@@H](NC1CCC(F)(F)CC1)c1ccc(C#N)cc1 334173569 ARLYBERNSMWMMZ-LLVKDONJSA-N 264.319 3.787 30 20 CHED Cc1cc(CN2CCC[C@H]2c2cccnc2)ccc1C#N 335959026 DLZMNOOKLQNKBZ-SFHVURJKSA-N 277.371 3.599 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CCC(F)(F)C1 336283478 TUUSLGSUGKJAEY-JTQLQIEISA-N 298.720 3.780 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1sccc1SC 336316329 ASXDSHUXFOOFBI-JTQLQIEISA-N 267.419 3.651 30 20 CHED N#Cc1cc(S[C@H]2CCCc3ccccc32)ncn1 336483087 QJJFADOKKWUBBM-AWEZNQCLSA-N 267.357 3.518 30 20 CHED C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(C#N)cc2)C1 336520886 KQOVVBFLCGBSJU-RDTXWAMCSA-N 277.371 3.536 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CCCC(F)(F)C1 337489910 MFFIGQYFUSSHHY-CYBMUJFWSA-N 286.366 3.600 30 20 CHED C=CCCC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 338662352 GYEXYVYZZIIOSP-UHFFFAOYSA-N 270.376 3.676 30 20 CHED CC(C)(C)c1nnc(SCc2cccc(C#N)c2F)o1 340851381 CMFYOHGXSONDFC-UHFFFAOYSA-N 291.351 3.670 30 20 CHED N#CCCCOc1cccc(NC(=O)C23CCC(CC2)C3)c1 342492801 GDMZATHLVWPJEB-UHFFFAOYSA-N 298.386 3.888 30 20 CHED C[C@@H]1CCN(CC2(C#N)CC2)c2ccccc2S1 343324284 WPKMJAFVPNPAIF-GFCCVEGCSA-N 258.390 3.681 30 20 CHED CCc1nc(CCN[C@H](C)c2ccc(C#N)cc2)sc1C 344174493 RHTXMIBUIICYND-GFCCVEGCSA-N 299.443 3.779 30 20 CHED Cc1csc(NC(=O)c2coc3ccccc23)c1C#N 344928480 NFVCHPNCZDLKKN-UHFFFAOYSA-N 282.324 3.927 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)NCC(C)(C)CCC#N 345891932 UAGOGNNWKJTDFF-KGLIPLIRSA-N 264.413 3.649 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc2c1ccn2CC(C)C 346249325 WIJFHZOXSJRIAI-CYBMUJFWSA-N 270.376 3.602 30 20 CHED C=C(C)CCc1noc(C2(c3cccc(C#N)c3)CC2)n1 351641829 RDTWMMKKJVDYKF-UHFFFAOYSA-N 279.343 3.530 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCCc2ccccc21 355164518 OBCZPYIYDYPLJE-KRWDZBQOSA-N 298.430 3.895 30 20 CHED C=CCOc1ccc(CNC(=O)c2ccc(C)s2)cc1 355755356 GSZPWKSIBQHWKI-UHFFFAOYSA-N 287.384 3.551 30 20 CHED C=CCN(C)C(=O)c1cscc1-c1ccccc1 355916646 GUHDRJVMCPCTDG-UHFFFAOYSA-N 257.358 3.673 30 20 CHED C[C@H]1CCN(Cc2cc(C#N)ccc2F)CC12CCC2 357048398 WFYVRDLAEUAXBI-ZDUSSCGKSA-N 272.367 3.709 30 20 CHED N#Cc1ccc(CNCc2ccc3ncccc3c2)c(F)c1 357310980 SQQNYESFFLVTGC-UHFFFAOYSA-N 291.329 3.535 30 20 CHED C=CCN(Cc1nc(C(C)(C)C)cs1)C1CC1 357551807 LKHFPMMHVDZRDW-UHFFFAOYSA-N 250.411 3.591 30 20 CHED N#Cc1cccc(OC2CCN(CCC3CCCC3)CC2)c1 357579949 KIUDLNVCNVFRJV-UHFFFAOYSA-N 298.430 3.982 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)NCC(C)(C)CCC#N 358676840 APUNXXDISPTQJL-CQSZACIVSA-N 279.428 3.536 30 20 CHED CC[C@@H](C)n1ncc(NCC(C)(C)CCC#N)c1C 359809562 BPEBNEMEUWKWPZ-GFCCVEGCSA-N 262.401 3.904 30 20 CHED Cc1n[nH]cc1C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 375394822 VRSIHDPYGSFBTC-CQSZACIVSA-N 294.402 3.530 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H](c2cccc(F)c2)C1 375640315 OIELVCJPTZVMJO-GOEBONIOSA-N 290.382 3.679 30 20 CHED CN(CCC#N)c1ccc(CN2[C@H]3CCC[C@H]2CC3)cc1 378347141 HRAVAQXRTUXQIP-ROUUACIJSA-N 283.419 3.553 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 380803550 YWOIQLWZJRPAHZ-UHFFFAOYSA-N 296.754 3.580 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2ccccc2c(Cl)n1 393818856 KNNMMOGTWOOWLL-GFCCVEGCSA-N 288.778 3.973 30 20 CHED N#Cc1ccc(NCC2CCC(F)(F)CC2)c(F)c1 409667995 VZDAMEMNRFSASE-UHFFFAOYSA-N 268.282 3.935 30 20 CHED N#Cc1c(NC(=O)C2CCCC2)cccc1OC(F)(F)F 411113440 NHNGQVSEUDATRC-UHFFFAOYSA-N 298.264 3.586 30 20 CHED C[C@H](c1ccncc1)N(C)CCC1(C#N)CCCCC1 411423317 OODAXDCHJCQEKB-OAHLLOKOSA-N 271.408 3.939 30 20 CHED CO[C@](C)(C1CC1)[C@H](C)NCc1ccc(Cl)cc1C#N 411978528 ZCYOLGVDGWLZHJ-ZBEGNZNMSA-N 292.810 3.505 30 20 CHED CC(C)(C)OC(=O)c1cccc(CSCCC#N)c1 413011882 KBPUXJWWBRNBLD-UHFFFAOYSA-N 277.389 3.789 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)CSCCC#N)cc1 413013276 NXNOQBMGXCGBCC-GFCCVEGCSA-N 276.405 3.785 30 20 CHED COc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)CCS2 414169736 RZMBAUFXVWWXIU-AWEZNQCLSA-N 290.432 3.762 30 20 CHED CC(C)CC1(C(=O)NCc2ccc(C#N)s2)CCCC1 421599315 DCSSGJFMAMPZBP-UHFFFAOYSA-N 290.432 3.842 30 20 CHED Cc1cc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2ccccc2c1 425688684 ZPBAZBJUBNAUAX-DZGCQCFKSA-N 293.370 3.962 30 20 CHED COCC(C)(C)CN[C@H]1CCCCc2cc(C#N)ccc21 426312391 QDHZCWHQFFTZME-KRWDZBQOSA-N 286.419 3.588 30 20 CHED C=CCOc1cccc(NC(=O)N2CC[C@H]3CCC[C@H]32)c1 429366048 KHRDTIKWWIFDLR-CZUORRHYSA-N 286.375 3.658 30 20 CHED C[C@H](c1ccc(OC(F)F)cc1)N(C)CC(C)(C)C#N 433289152 PAGJVMXXUONDGZ-LLVKDONJSA-N 282.334 3.831 30 20 CHED CSc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 434024448 XXXLBSWUGFDJFZ-AWEZNQCLSA-N 288.416 3.563 30 20 CHED Cc1oc(C#N)cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 435769646 ATDMPQUVWUBLEQ-LBPRGKRZSA-N 299.355 3.530 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[C@@H]1C1CC1 436304245 XYNIESGWQLNFSJ-NJAFHUGGSA-N 266.388 3.714 30 20 CHED Cc1cc(Cl)ccc1OCCCN[C@H]1CC[C@H](C#N)C1 442789588 YHOSOQLPHOXZCD-ZFWWWQNUSA-N 292.810 3.699 30 20 CHED N#C[C@@H]1CC[C@H](Nc2cc(F)ccc2OC(F)F)C1 442876827 YGWYYGPRWJEMPB-SCZZXKLOSA-N 270.254 3.531 30 20 CHED CCCc1cc(O)nc(S[C@@H](C)c2cccc(C#N)c2)n1 442911749 KCWLMOOORWQXJC-NSHDSACASA-N 299.399 3.860 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 448947189 VIIAKPJPWLGNGO-LMMKCTJWSA-N 298.430 3.844 30 20 CHED CCO[C@@H]1C[C@@H](NC2CCC(C)(C#N)CC2)C12CCCC2 449176651 QWBYMQZIZUUQDF-JCCCHCCOSA-N 290.451 3.786 30 20 CHED C=CCC1(C(=O)N[C@H](C)CC(=O)c2ccccc2)CCCC1 450165604 YLQAQLQPPOBSGI-OAHLLOKOSA-N 299.414 3.901 30 20 CHED N#Cc1c(Cl)cccc1NC[C@@H]1CCOC2(CCC2)C1 450717952 MJEXSCGRIUUDLW-GFCCVEGCSA-N 290.794 3.973 30 20 CHED C=CC(C)(C)CNC(=O)Cc1cccc(Cl)c1Cl 452778719 YSABTJRAACURHV-UHFFFAOYSA-N 286.202 3.864 30 20 CHED C=C(C)CCNC(=O)NCc1c(OC)ccc2ccccc12 454202882 BKRHMVQQSZFHSA-UHFFFAOYSA-N 298.386 3.614 30 20 CHED C=C(CC)CNC(=O)N1C[C@H](c2ccccc2)C[C@H]1C 455518015 FSDDCEIRLTVKJQ-GDBMZVCRSA-N 272.392 3.540 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)NCc2ccc(C#N)c(F)c2)C1 456846002 ULSMUQAALKKFDZ-OLZOCXBDSA-N 288.366 3.530 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)C1CCC1 457614632 XBXFGJKOMWMXRC-GFCCVEGCSA-N 285.391 3.755 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 458310170 XENYQYJFJHFGPS-SNPRPXQTSA-N 287.428 3.883 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1C[C@H](C)CC[C@H]1C 460781691 VAKRPKDBXPEEHJ-ZIAGYGMSSA-N 276.428 3.602 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H]2CCC[C@@H]21 460798161 LZUOVGUZRLLZMO-GJZGRUSLSA-N 288.439 3.576 30 20 CHED N#Cc1c[nH]c2ccccc2c1=NCC1(c2ccccc2)CC1 461456858 QGHOMIXKEAANFE-UHFFFAOYSA-N 299.377 3.672 30 20 CHED CCCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 464838892 ZPXNFRHOEWQHII-DLBZAZTESA-N 256.393 3.948 30 20 CHED C=CCc1cc(CN[C@@H](CC)CC=C)cc(OC)c1O 466403664 HCFRIAUZJYVZJK-HNNXBMFYSA-N 275.392 3.574 30 20 CHED Cc1cc(CNCCc2cccc(C#N)c2)ccc1Cl 466424926 JZNBFKKUXHHXIJ-UHFFFAOYSA-N 284.790 3.852 30 20 CHED C=CCCCCNC(=O)c1cc(-c2ccc(F)cc2)on1 471704257 CXHAPOXSMHYKCQ-UHFFFAOYSA-N 288.322 3.567 30 20 CHED C=CC[C@H](CO)CN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 474894559 SHEAIRNLXUHNSM-IHRRRGAJSA-N 281.827 3.606 30 20 CHED C=CCOCCCOc1ccccc1-c1nccs1 478782322 NYMPMHDTJRGYEW-UHFFFAOYSA-N 275.373 3.782 30 20 CHED C=CCCCSCC(=O)N(C)[C@@H](C)CC(C)C 482535500 QVJUJVHLQKRXRM-ZDUSSCGKSA-N 257.443 3.579 30 20 CHED C=CCN(CCc1ccco1)C(=O)CCC(C)(C)C 490301855 VMTJINSYAGNBDI-UHFFFAOYSA-N 263.381 3.663 30 20 CHED C#C[C@H](CCC)NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 491315204 LOOZETXLVJVXAB-ZIAGYGMSSA-N 282.387 3.580 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H](C)CCC(C)C 498132027 PYBNDIKJCYKVKU-OAHLLOKOSA-N 292.423 3.844 30 20 CHED CC#CCCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 499035003 BLEXFSOXHVBVSO-KGLIPLIRSA-N 296.197 3.627 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@@H](C)C[C@H](C)C1 500848103 AVMGOKBTFLPIBN-CABCVRRESA-N 287.403 3.760 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccc(C)cc1 500997199 GHUAXTOVMCLWLV-UHFFFAOYSA-N 266.344 3.878 30 20 CHED COc1cc(C#N)ccc1CN1C[C@@H](C)[C@@H]1c1ccccc1 501211406 WAIDSSQBGJGWER-AUUYWEPGSA-N 292.382 3.760 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(OC2CCCC2)c1 505214300 YRCBWNXHXTXXGB-KRWDZBQOSA-N 286.375 3.886 30 20 CHED CCc1ccccc1NC(=O)c1cccc(C#N)c1C 509011686 DBWSFAOFDYURAB-UHFFFAOYSA-N 264.328 3.681 30 20 CHED C=C(C)CCN[C@@H](C(=O)OC(C)(C)C)c1ccccc1 509020336 AISOQVUJJRJVQN-OAHLLOKOSA-N 275.392 3.625 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(c1cccc(C#N)n1)CC2 511849214 XWGJGFTVGRKMGF-UHFFFAOYSA-N 291.398 3.813 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)NCC(C)(C)CCC#N 513113096 JIYKHRNJPDWJJO-HUUCEWRRSA-N 293.455 3.927 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(C)c1cccc(C#N)c1 525995400 CNGLYQGWDVXWNW-ZBFHGGJFSA-N 270.376 3.737 30 20 CHED N#Cc1cccc(Sc2nc(C3CC3)nc3c2CCC3)c1 536576706 NWLHLDXYDRXVES-UHFFFAOYSA-N 293.395 3.866 30 20 CHED C=CCN(C(=O)NCC[C@H]1CCCC[C@H]1C)C1CC1 536797640 ORKXXNVBAYBRQI-ZIAGYGMSSA-N 264.413 3.563 30 20 CHED C=CCN(C(=O)N[C@H](c1cccs1)C1CC1)C1CC1 536802544 OXIDVVQSIQPLLD-AWEZNQCLSA-N 276.405 3.559 30 20 CHED C=C(CC)CN1CCC[C@H](CN2CCCC[C@H]2C)C1 536893248 LIOHQWKUKWIUHA-SJORKVTESA-N 264.457 3.539 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(CNCc2cc(C#N)cs2)o1 539458544 KMCQYRQWIGGOIC-YGRLFVJLSA-N 272.373 3.626 30 20 CHED C[C@H]1CN(CCC(C)(C)C#N)[C@H](C)CN1Cc1ccccc1 540715503 OKICHNQTMNEUMR-SJORKVTESA-N 299.462 3.521 30 20 CHED COc1ccc(C2(NCc3ccc(CC#N)cc3)CC2)cc1 542259015 JZYVCEJGQSNMBZ-UHFFFAOYSA-N 292.382 3.540 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC1(c2cccc(F)c2)CC1 543115335 LXYPTYTXRAJEQW-OAHLLOKOSA-N 290.382 3.511 30 20 CHED Cc1ccc2oc(SCC#Cc3ccc(F)cc3)nc2n1 543146988 LADFEMBDOLSLSJ-UHFFFAOYSA-N 298.342 3.814 30 20 CHED C[C@H]1CC(NC(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)C1 548290023 WELFKAUOPIGPOM-GHMZBOCLSA-N 290.794 3.766 30 20 CHED Cc1cc(C#N)cnc1C(=O)N1CCCC[C@H]1CCC(C)C 551847175 IEDICKNTCGLTOL-INIZCTEOSA-N 299.418 3.693 30 20 CHED CN(CCc1cccc2ccccc12)c1cc(C#N)ccn1 553046168 XXKHLROPAQKALQ-UHFFFAOYSA-N 287.366 3.785 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](C)C1 559012025 IGVIPGMSCUYVAU-KBPBESRZSA-N 290.455 3.535 30 20 CHED C=CCCCCSCC(=O)Nc1cccc(C(C)=O)c1 563644809 NWWIHTZXZUXEIP-UHFFFAOYSA-N 291.416 3.917 30 20 CHED C=CCCSCC(=O)NC[C@H](c1ccccc1)C(C)C 564385830 VSHOWWYMAOMJFQ-INIZCTEOSA-N 291.460 3.852 30 20 CHED CSCC[C@@H](C)N(C)C(=O)Nc1scc(C)c1C#N 566745602 DCNXKVBFWWBDBI-SNVBAGLBSA-N 297.449 3.534 30 20 CHED C=CCC[C@H](NC[C@@H]1CCCC[C@@H]1O)c1ccccc1 566954470 YQQMFYAUKFDDAI-BZSNNMDCSA-N 273.420 3.835 30 20 CHED CCc1ccc(NC(=O)CSCC2(C#N)CCC2)cc1 568967254 KNKCAOLLROLNGJ-UHFFFAOYSA-N 288.416 3.615 30 20 CHED C=CCCCC[C@H](C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 569638018 MMETZFLYCHGCPO-BYNSBNAKSA-N 251.414 3.524 30 20 CHED C=CCn1c(SCC=C(C)C)nnc1-c1ccco1 571184490 CMIVKZYYTSCNJS-UHFFFAOYSA-N 275.377 3.782 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 574034831 VSPJGCIENHHFLM-MNOVXSKESA-N 288.416 3.873 30 20 CHED CC#CCN(C)C(=O)c1ccc(OCCCC)cc1Cl 574839527 HKLTVJPWOIRPQZ-UHFFFAOYSA-N 293.794 3.614 30 20 CHED CCCC[C@@H](Nc1cc(C#N)ncn1)c1ccc(OC)cc1 576927413 KGARUMJNKMDNKC-MRXNPFEDSA-N 296.374 3.700 30 20 CHED CC(C)(C)N(Cc1ccccc1)Cc1ccc(C#N)cn1 583240319 XKSHLDJXFAAMJM-UHFFFAOYSA-N 279.387 3.754 30 20 CHED C=CC[C@H](C(=O)N1CC[C@H](CC2CC2)C1)c1ccccc1 584073628 IPTVUPCXPCNHJL-AEFFLSMTSA-N 283.415 3.995 30 20 CHED CCc1cc(NC(=O)c2ccc(C#N)cc2)ccc1F 586825787 CJYVYWMHZIDJGU-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1cc(C#N)nc(N2C[C@@H](C)CC[C@@H]2c2ccccc2)n1 588071858 HMKXBOHOFVFXQV-SUMWQHHRSA-N 292.386 3.634 30 20 CHED CSc1ccc(NC(=O)CCCCCC#N)cc1 588147536 ZVOWWRYZYPSCTJ-UHFFFAOYSA-N 262.378 3.821 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccccc1[N+](=O)[O-] 588489005 FNYLPGGXDSLSQM-SREVYHEPSA-N 289.312 3.561 30 20 CHED CCc1cc(C#N)c(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)s1 590979901 CSWPHAUJJNPANK-OUJBWJOFSA-N 274.389 3.557 30 20 CHED CC1=C(C)C[C@H](C(=O)N[C@@](C)(C#N)CC(C)C)CC1 592606845 AORRCXZJMJWEEC-GDBMZVCRSA-N 262.397 3.567 30 20 CHED CC[C@H](CNc1cccc(CC#N)c1)CC(F)F 594704820 OIIPWTZFLLMFIM-NSHDSACASA-N 252.308 3.846 30 20 CHED CCOc1ccc(CNCC2CCC(C#N)CC2)c(C)c1 594936399 KWOUQGCKVSFOSD-UHFFFAOYSA-N 286.419 3.813 30 20 CHED C=CCCSCCNCc1ccc(SC)c(OC)c1 594959925 GDJMBDREZSJORR-UHFFFAOYSA-N 297.489 3.816 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]2c2ccccc2)cc1 594993593 DFCWLODPVLWPJR-QZTJIDSGSA-N 262.356 3.594 30 20 CHED C=CCCSCCN[C@@H]1CCCc2occc21 595058246 FPNXTVZEBZNSJL-CYBMUJFWSA-N 251.395 3.556 30 20 CHED C[C@@]1(C#N)CCCN(CCSc2ccc(F)cc2F)C1 595426144 NJDFTAVMZLRJJJ-HNNXBMFYSA-N 296.386 3.683 30 20 CHED C[C@@H](C#N)N(Cc1cccc(OCC(F)(F)F)c1)C1CC1 595714750 ZRLFQTWOUCZHCO-NSHDSACASA-N 298.308 3.504 30 20 CHED N#CC1(CC(=O)Nc2cc(F)c(F)cc2F)CCCCC1 597153471 DGUMPIJXXICZLM-UHFFFAOYSA-N 296.292 3.907 30 20 CHED CC(C)(C)[C@@H]1C[C@H](NCCc2ccc(C#N)cc2)CS1 597179920 XUGYEMSFEPBEBK-HOTGVXAUSA-N 288.460 3.611 30 20 CHED CCN(C(=O)C[C@H](C)Cc1ccc(Cl)cc1)[C@@H](C)C#N 598359053 RIRCYIBEWGZIAP-OLZOCXBDSA-N 292.810 3.669 30 20 CHED CCCN(C(=O)CCCF)c1cc(Cl)ccc1C#N 598808407 AMIDNAXMYIUOSF-UHFFFAOYSA-N 282.746 3.704 30 20 CHED N#CCC1(CNCc2csc(C(F)(F)F)c2)CC1 598976501 WJPOGLQJCMLCHU-UHFFFAOYSA-N 274.311 3.550 30 20 CHED Cc1ccc2sc(NC(=O)CC(C)(C)C#N)nc2c1C 601791297 JEYBINQRWXSHPG-UHFFFAOYSA-N 287.388 3.792 30 20 CHED CC(C)OCCSc1ccc(Cl)cc1C#N 601911589 KOVGNMPVZKJBCA-UHFFFAOYSA-N 255.770 3.729 30 20 CHED COCCN(C[C@@H](C)CCC#N)[C@H](C)c1ccccc1 602443602 GHALKWLJALAUQC-JKSUJKDBSA-N 274.408 3.636 30 20 CHED Cc1n[nH]c(C)c1[C@H]1CCCCCN1C[C@H](C)CCC#N 602669404 WKEXNHUJFIZNCV-CZUORRHYSA-N 288.439 3.884 30 20 CHED N#CCc1cccc(N[C@@H](c2nc[nH]n2)C2CCCCC2)c1 602682943 VISIATVZUBJHOT-MRXNPFEDSA-N 295.390 3.604 30 20 CHED N#CCC1(CN(Cc2c(F)cccc2F)C2CC2)CC1 602827738 NTUCKIXHVRMIQY-UHFFFAOYSA-N 276.330 3.623 30 20 CHED CCc1ccc([C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 609018464 ALRALQFCMXXUJS-CYBMUJFWSA-N 278.355 3.863 30 20 CHED CCC[C@H](Nc1ncc(C#N)cc1Cl)c1ccccn1 609632264 GCFVOGBKKTXMNA-AWEZNQCLSA-N 286.766 3.955 30 20 CHED CSc1ccc(NC(=O)NCC(C)(C)C#N)cc1Cl 611621256 MBOMOVXHSVIWBY-UHFFFAOYSA-N 297.811 3.733 30 20 CHED C=CCC1(C(=O)N2C[C@@H]3CCCC[C@@H]32)CCCCC1 616722194 ZPRLJBLTIHGFJD-GJZGRUSLSA-N 261.409 3.914 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccnc(Oc3ccccc3)c2)C1 619671994 GYGNLEHGBUOFIN-ZBFHGGJFSA-N 293.370 3.656 30 20 CHED Cc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 619748737 SALIKUJEFCZSAT-UHFFFAOYSA-N 270.763 3.810 30 20 CHED C=CCN(C(=O)Cc1cccc(C2CC2)c1)C(C)(C)C 622945526 GWUPHSZMTNLMDO-UHFFFAOYSA-N 271.404 3.920 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(NC)cc1 625929048 GNFXSBVRZHPBHC-GFCCVEGCSA-N 261.369 3.595 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(-c2cnc[nH]2)cc1 632310651 XWJPDXIPRBCVKW-CYBMUJFWSA-N 283.375 3.551 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1cnc(C)s1 633153797 NGIRCTLANFCYRX-MNOVXSKESA-N 281.425 3.557 30 20 CHED C=CCN(Cc1ccccc1)[C@H](c1nccn1C)C1CC1 637929799 PIDWDVWAIXCMRK-KRWDZBQOSA-N 281.403 3.559 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ccc(C)c(N)c1 643978669 QWWOROFICADHGN-UHFFFAOYSA-N 286.419 3.786 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2nc(C3CC3)cs2)s1 647371079 JSLWWPCQHTXMKE-SNVBAGLBSA-N 288.397 3.881 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@H]1CF)c1ccccc1 647445861 AZHLNWZGXLCCMO-HOTGVXAUSA-N 275.367 3.697 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 649718575 BPADBYQDEBGFDO-LBPRGKRZSA-N 277.795 3.868 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2)C1 664334338 YAHPKRJKGXXVEO-NSHDSACASA-N 280.318 3.785 30 20 CHED C=C[C@H](C)NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 672464091 KSCKLYGXWQBGCM-QMCVQRASSA-N 284.403 3.539 30 20 CHED C=CCc1cc(CN(C)CCC(C)C)cc(OC)c1O 678137669 RIXUJVJKIMOBIK-UHFFFAOYSA-N 277.408 3.607 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2cc(Cl)ccc2[nH]1 684988442 WKCJQWKYWXMPTR-LBPRGKRZSA-N 276.767 3.906 30 20 CHED Oc1ccccc1C=Nc1ccc(OC2CCCC2)nc1 726889165 DIIOUVLFZCLIAH-UHFFFAOYSA-N 282.343 3.859 30 20 CHED C=CCOC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 727039837 OABCIUCHWMWOKH-SNVBAGLBSA-N 272.266 3.928 30 20 CHED C[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(C#N)c1 727640446 ZUIYAMARRIQIGT-GVAFMPQTSA-N 269.344 3.599 30 20 CHED CCCOc1c(C=NNC2CCCC2)cccc1OCC 727652350 NUSROZOLSQUDBD-UHFFFAOYSA-N 290.407 3.740 30 20 CHED Oc1ccc2ccccc2c1/C=N\C[C@@H](O)C1CCCCC1 727685584 STDYOZQBYJBXTN-CNJGYECJSA-N 297.398 3.906 30 20 CHED Fc1cccc(C=NOCc2ccn(-c3ccccc3)n2)c1 729674349 RWABZTJFUIRBBV-UHFFFAOYSA-N 295.317 3.562 30 20 CHED C#CCOc1ccccc1CNC[C@H](C)c1ccc(F)cc1 729681572 GAOGUCQVWWWQDG-HNNXBMFYSA-N 297.373 3.731 30 20 CHED Cc1cc(C)c(C=NNc2nccnc2Cl)c(C)c1 733080173 GFXAEJFEZGJHSD-UHFFFAOYSA-N 274.755 3.501 30 20 CHED C=CCOc1ccc(C(=O)O[C@H]2C=CCCC2)cc1 733434726 WFSPKPYSNQHNFL-HNNXBMFYSA-N 258.317 3.517 30 20 CHED C=CC[C@@H](NC(=O)C=C1CCCCC1)c1ccncc1 734459182 JMCNJKTXYTUPEV-MRXNPFEDSA-N 270.376 3.706 30 20 CHED C#CCN(CC)C(=O)c1cccc(Nc2ccccc2)c1 735652501 LPVIHSHMTWIXRB-UHFFFAOYSA-N 278.355 3.526 30 20 CHED CC(=NNc1cccnn1)c1cc(F)c(Cl)cc1Cl 735973906 WMGRVBXODHAKGV-UHFFFAOYSA-N 299.136 3.759 30 20 CHED Cc1ccc(CC(=NNc2cc(C)nc(C)n2)C2CC2)cc1 741839417 GRORKHUTJSJGMI-UHFFFAOYSA-N 294.402 3.822 30 20 CHED CC[C@H](C)C[C@H](C)NC(=O)/C=C\c1ccccc1C#N 742720041 OQHWMGRSIBQPMB-YHFBFXLGSA-N 270.376 3.512 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 744304795 DOAYPXVDAHKYJT-GFCCVEGCSA-N 282.767 3.925 30 20 CHED C#CCN(C(=O)N[C@@H]1CCCC[C@H]1CC)C1CCCCC1 744844689 SUTJRZHEAAAGQR-NVXWUHKLSA-N 290.451 3.933 30 20 CHED CCN(Cc1ccc(C#N)cc1)c1ccc(OC)cc1 746108826 FDJKQSHNHBDRRG-UHFFFAOYSA-N 266.344 3.593 30 20 CHED C#CCN(CC)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 746515562 DMMIDEBYUSEVBH-SNVBAGLBSA-N 284.186 3.579 30 20 CHED C=CCOC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 748385131 HHSCYAJMTGDUOK-MDZDMXLPSA-N 270.250 3.838 30 20 CHED C#CCNC(=O)Nc1ccc(S[C@H](C)CC)cc1C 748449007 WXZCAYJNJBLKDT-GFCCVEGCSA-N 276.405 3.640 30 20 CHED COc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1C 749004257 CIOASFJTHIYRMH-ZSOIEALJSA-N 282.314 3.965 30 20 CHED C=C(C)CNC(=S)N1c2ccccc2CC[C@@H]1CC 749007548 IRIHFJBVLIPYPA-AWEZNQCLSA-N 274.433 3.668 30 20 CHED N#CCC[C@@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 749044575 AALQJRZAXLTTLQ-OAHLLOKOSA-N 286.350 3.945 30 20 CHED Fc1ccccc1C=NOCCCCC(F)(F)F 752764196 PMFAMZRSLBTNQN-UHFFFAOYSA-N 263.234 3.909 30 20 CHED Cc1ccc(-c2n[nH]cc2/C=C/C(=O)c2cc(C)on2)cc1 752879704 WXZHEMISRWMFPW-BQYQJAHWSA-N 293.326 3.578 30 20 CHED COc1cccc(/C=C\C(=O)c2coc(C(C)C)n2)c1 752883526 BPVDZLVETISFMM-FPLPWBNLSA-N 271.316 3.703 30 20 CHED CCC(COC)=NNc1cc(C(F)(F)F)ccc1F 753946479 HWDNBQSMQNNHDT-UHFFFAOYSA-N 278.249 3.669 30 20 CHED CCc1nc(C=NNc2nc3ccccc3s2)cs1 755464066 LDRABZPWTPLNAW-UHFFFAOYSA-N 288.401 3.761 30 20 CHED CCC(Cc1ccccc1)=NNc1cc(C)ccn1 755907114 UCFZZMYPVHNKCH-UHFFFAOYSA-N 253.349 3.811 30 20 CHED C#CC[C@@H](NC(=O)N1CCCCCCC1)c1ccccc1 757066202 ZDHKSXJPLNGXHK-QGZVFWFLSA-N 284.403 3.727 30 20 CHED Fc1cnc(NN=C2CCC(c3ccccc3)CC2)nc1 760246746 FAVCYZCZXGCGAS-UHFFFAOYSA-N 284.338 3.741 30 20 CHED O=C(O)c1ccc(/C=C2/Cc3ccc(Cl)cc3C2=O)cc1 762448419 WLYSTZCEOUNOLH-QPEQYQDCSA-N 298.725 3.861 30 20 CHED N#CCC1CCN(Cc2nc(Cl)ccc2Cl)CC1 766890867 ZOBCLDARRNUHNP-UHFFFAOYSA-N 284.190 3.514 30 20 CHED C#CCCCOC(=O)c1cc2cccc(Cl)c2o1 766900883 HMGKNACSLDGNPI-UHFFFAOYSA-N 262.692 3.656 30 20 CHED CCC(C)(CC)C(=O)OCc1cc(F)ccc1C#N 767609600 AAOGJQAGEWESNN-UHFFFAOYSA-N 263.312 3.567 30 20 CHED Cc1cc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 767900155 ROUGFTVKNPOHOJ-UHFFFAOYSA-N 293.710 3.904 30 20 CHED CC1(C)CCC/C(=C/c2ccc(F)c(C#N)c2)C1=O 770573515 ZAAJTDAURCSVJU-WQLSENKSSA-N 257.308 3.860 30 20 CHED C[C@@H](C#N)COC(=O)c1sccc1-c1ccccc1 770945408 VKXFGQZLKZJQPC-NSHDSACASA-N 271.341 3.732 30 20 CHED CC(=NOC1CCCC1)c1ccccc1OC(F)F 774601102 AGZQNKWCYCRARB-UHFFFAOYSA-N 269.291 3.971 30 20 CHED CC[C@H](C)Oc1ccccc1/C=C/C(=O)OCC1(C#N)CC1 775857273 QAFZVCXNURKYJB-VFNNOXKTSA-N 299.370 3.724 30 20 CHED Cc1[nH]c2ccc(C(=O)OCCC(C)(C)C#N)cc2c1C 776357380 SFDIFDVLVHIYNU-UHFFFAOYSA-N 284.359 3.881 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)[C@H]2CCCc3cccc1c32 777466323 AAZKLXVVCOYRBJ-GULXKOIASA-N 279.314 3.921 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1sccc1C 777906601 CTJTYNJCKITYFU-UHFFFAOYSA-N 265.769 3.941 30 20 CHED Oc1cccc(Cl)c1C=NNc1cc(Cl)ccn1 777907551 VQZOLUHQPXGXJK-UHFFFAOYSA-N 282.130 3.540 30 20 CHED COc1nccnc1NN=C(C)c1cc2ccccc2s1 780240916 IKWPHLOIYHAIFO-UHFFFAOYSA-N 298.371 3.536 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)c1c(Cl)cccc1Cl 781175401 MAGHISXCGDJXHF-IUCAKERBSA-N 286.158 3.942 30 20 CHED Clc1cccnc1NN=Cc1scnc1C1CC1 782204440 APBVIWHPWNJJOP-UHFFFAOYSA-N 278.768 3.515 30 20 CHED CCCC(=NNCc1ccc(C#N)cc1)c1ccsc1 785456999 BCYQMWLHXTWJDR-UHFFFAOYSA-N 283.400 3.914 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 786630910 VVWFXPLTOHWWKX-CQSZACIVSA-N 297.738 3.894 30 20 CHED CCC(CC)(NC(=O)NCCC#N)c1ccc(Cl)cc1 787357924 ZIMUPPKTLHCAJF-UHFFFAOYSA-N 293.798 3.568 30 20 CHED C#CCC1(C(=O)NCc2cc(F)ccc2F)CCCCC1 788212084 LTZSBZADOSJIJR-UHFFFAOYSA-N 291.341 3.555 30 20 CHED CC[C@@H]1CCC[C@H](C=NN[C@H](CO)c2ccccc2)C1 788456988 XTZHOFWKWWEAFN-HLLBOEOZSA-N 274.408 3.512 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C\c1cncs1)C2=O 788739575 QFDGXRLOMSZLSF-AUWJEWJLSA-N 285.368 3.709 30 20 CHED CC[C@H](C#N)OC(=O)CCC[C@H](C)c1cccc(OC)c1 789045543 DDMJBPGGGXGYDM-DZGCQCFKSA-N 289.375 3.814 30 20 CHED C#CCCCOC(=O)c1ccccc1CSCC 789099829 IIEBWUQLKZRAKC-UHFFFAOYSA-N 262.374 3.510 30 20 CHED Cc1ccc(C(C)(C)C)c(OCCO[C@@H](C)C#N)c1F 789607091 BBFMSUSKZCNYPH-LBPRGKRZSA-N 279.355 3.739 30 20 CHED CCCCCCCCn1cnc2cnc(Cl)cc2c1=O 790273465 VHYQFBWFNNWCQJ-UHFFFAOYSA-N 293.798 3.805 30 20 CHED CC#CCCCC(=O)OCc1cccc(C(F)F)c1 791760221 KLRXJKLMDDMQHV-UHFFFAOYSA-N 266.287 3.861 30 20 CHED CCCCCCCCCN1CCC(O)(C(F)F)CC1 792295140 OTWBHROVDDACET-UHFFFAOYSA-N 277.399 3.829 30 20 CHED C[C@@H](NN=Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C 793113153 ZXJPABNJICEZAS-SECBINFHSA-N 283.759 3.606 30 20 CHED CN(C(=O)[C@H](F)CC1CCCCC1)c1cccc(C#N)c1 793190116 SMHYVKGOOMIHCC-MRXNPFEDSA-N 288.366 3.830 30 20 CHED C=CCCCCC[C@H](C)NC1CCC(C)(O)CC1 793529522 CHGQDIDMLRHQHC-FHERZECASA-N 253.430 3.795 30 20 CHED C[C@@H]1COCCC1=NNc1ccnc2cc(Cl)ccc12 794457024 ZMDIOQGCROPHMK-SNVBAGLBSA-N 289.766 3.713 30 20 CHED C/C(=C\Cl)CSCCOc1cccc(C#N)c1 797812293 UGBKSKHJJXQAPF-DHZHZOJOSA-N 267.781 3.813 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccc(Cl)c(F)c1 797885766 IFPUBNJPQPDQIP-UHFFFAOYSA-N 293.681 3.609 30 20 CHED C#C[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)C(C)C 799045554 JUSKQSYPNWDLOZ-KRWDZBQOSA-N 295.382 3.653 30 20 CHED C#C[C@H](NC(=O)C(C)(C)CCCc1ccccc1)C(C)C 799046385 HXRNBVORDGTTTB-KRWDZBQOSA-N 285.431 3.810 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1)c1coc(C(C)C)n1 799465704 MSSBRYUGMARCHP-UHFFFAOYSA-N 288.307 3.542 30 20 CHED Cc1ccc(C(=O)OCCCCOC(C)(C)C)cc1C#N 799549011 HZPKURAONZCVJV-UHFFFAOYSA-N 289.375 3.619 30 20 CHED C[C@@H]1CC[C@H](C=NNc2nc(C(F)(F)F)cs2)C1 800814054 OVHVKUBPYKPQDY-SFYZADRCSA-N 277.315 3.996 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCC[C@H]2CCCF)c1 800974082 GEACHCLTZMBPJO-BBRMVZONSA-N 278.346 3.705 30 20 CHED CCCCCCCC(=O)Nc1nc([C@H](C)OC)ns1 800990827 ZTVZTKIJRPHPFU-JTQLQIEISA-N 285.413 3.545 30 20 CHED CC#CC(=O)NCc1ccccc1-c1ccc(Cl)cc1 801148130 RUIQFFMFSQMPEG-UHFFFAOYSA-N 283.758 3.647 30 20 CHED C=CCC[C@@H](NC(=O)OC[C@H]1CCCO1)c1ccccc1 805043181 OKXFXDXUCHOVCL-HZPDHXFCSA-N 289.375 3.599 30 20 CHED CC(C)(C(=O)OCCCSCC#N)C1CCCCC1 805521599 SITGABHKGQLUPA-UHFFFAOYSA-N 283.437 3.783 30 20 CHED C=C(C)COC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 805663944 IMLLXMJZDVFMEN-UHFFFAOYSA-N 286.327 3.606 30 20 CHED C#Cc1cccc(N(CC)Cc2csc(Cl)n2)c1 809575634 JJRCKZGLIUMFFM-UHFFFAOYSA-N 276.792 3.804 30 20 CHED C#Cc1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)cc1 809660931 XXGKRDIIICPOAE-UAPYVXQJSA-N 279.358 3.843 30 20 CHED C#C[C@@H](NC(=O)c1cc2cccc(C)c2s1)C(C)C 809802277 UGBUKQHPLMNBEP-CYBMUJFWSA-N 271.385 3.597 30 20 CHED CN(CCC#N)c1ccc(CN2CC(C)(C)[C@H]2C2CC2)cc1 811513093 DKKDGQACUTWHGV-GOSISDBHSA-N 297.446 3.657 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1cc(F)c(F)c(F)c1)C2 811696645 VIBSJCDYDCABBR-KGVSQERTSA-N 299.251 3.798 30 20 CHED Cc1ncsc1/C=C1\Oc2cccc(Cl)c2C1=O 811699037 OFNINJIZVGGOHB-YHYXMXQVSA-N 277.732 3.721 30 20 CHED C#C[C@@H](NC(=O)[C@H]1CC12CCCC2)c1ccc(Cl)cc1 811944751 IYJCPGOTSPIAOW-HUUCEWRRSA-N 287.790 3.711 30 20 CHED C=CC[C@@H](NC(=O)N(C)[C@@H](C)CCCC)c1ccncc1 812047859 JXKYUALLDHJRFB-GOEBONIOSA-N 289.423 3.919 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1ccnn1C 812231956 MCHONFYLOZJVOF-UHFFFAOYSA-N 270.380 3.688 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1ccc2ccccc2c1 814480800 WTCVUSCNUZZNTM-UHFFFAOYSA-N 281.359 3.853 30 20 CHED Cc1c(C=NNCc2ccccc2)n(C)c2ccccc12 814751142 GFICANGIEUSLRL-UHFFFAOYSA-N 277.371 3.610 30 20 CHED CCOc1ccc(NN=C(C)CC2(C(=O)O)CCC2)cc1 814983847 QOKSIRWKCUDMNV-UHFFFAOYSA-N 290.363 3.518 30 20 CHED Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccncc1Cl 817348027 SNPYKQFGXQEUHH-PLNGDYQASA-N 289.766 3.717 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1O 818356623 OSFOFXNYOFCNEI-OUAUKWLOSA-N 298.308 3.754 30 20 CHED COCCC(=NNc1cc(Cl)nc(Cl)c1)C(C)C 819828892 UBMFFFLXSQNAOU-UHFFFAOYSA-N 290.194 3.849 30 20 CHED C#CCCCN1CC[C@@H](c2cccc(Br)c2)C1 831592954 GPFJBABDYLLNDL-CQSZACIVSA-N 292.220 3.652 30 20 CHED CCC(=NNc1nc2cc(F)c(F)cc2[nH]1)C1CCC1 834939304 XSJAUQHNZQNJFR-UHFFFAOYSA-N 278.306 3.819 30 20 CHED CC[C@H](C)NN=Cc1sc(C)cc1Br 834974176 ZBSRWKLZCUJGDO-ZETCQYMHSA-N 275.215 3.541 30 20 CHED Cc1nn(C)c(C)c1C=NNc1ccc(C(C)C)cc1 835018914 XWAXLQUXKRWIQW-UHFFFAOYSA-N 270.380 3.606 30 20 CHED COCc1ccc(C=NN[C@@H]2CCc3c(F)cccc32)cc1 835020459 MEIDLAAECYKHRY-GOSISDBHSA-N 298.361 3.583 30 20 CHED C#CC[C@H](OC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccn1 835132065 HMDABMOCJKSDHZ-DLTWYDFYSA-N 285.387 3.762 30 20 CHED C#CCCCCCCOC(=O)C[C@H](C)c1ccncc1 835714647 MUFBGWSVVHCYJY-HNNXBMFYSA-N 273.376 3.702 30 20 CHED C=C(C)[C@@H](CC(=O)OCc1cc(C)ccc1F)OCC 835921283 HTNOHJADYABBMG-OAHLLOKOSA-N 280.339 3.549 30 20 CHED C#CC[C@@H](NC(=O)C1=CC[C@@H](C)CC1)c1ccccc1 836779601 HESARVOYEOUVHQ-RHSMWYFYSA-N 267.372 3.614 30 20 CHED CCN(C(=O)C#CC(C)(C)C)c1ccc2[nH]ccc2c1 837576792 IWORJQGHZFSIMD-UHFFFAOYSA-N 268.360 3.570 30 20 CHED CC[C@H](CC(=O)O[C@H]1CCC[C@@H](C#N)C1)C(C)C 839048226 CLYWGBTVTSXSJU-MCIONIFRSA-N 251.370 3.684 30 20 CHED CC(=O)CCCCCCC(=O)O[C@H]1CCC[C@H](C#N)C1 839051074 KEQALBJBWXPVTC-GJZGRUSLSA-N 279.380 3.542 30 20 CHED CC(C)(C)CCCC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839053517 SWMCQQXNSAKZQE-CHWSQXEVSA-N 251.370 3.828 30 20 CHED CC[C@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839434215 ATTSTZIVIQDSAP-NSHDSACASA-N 252.317 3.696 30 20 CHED N#CC1(CCOC(=O)[C@@H]2C[C@H]2c2cccnc2)CCCCC1 840582611 OUASDDZVECZMCQ-JKSUJKDBSA-N 298.386 3.592 30 20 CHED C#C[C@H](OC(=O)C1CCC(F)(F)CC1)c1ccc(F)cc1 842406712 GHLHXRQLWDKJKZ-AWEZNQCLSA-N 296.288 3.869 30 20 CHED CCN(CCO)N=C(CCc1ccc(Cl)cc1)C(C)C 842538902 QJGZJQNDFHAARY-UHFFFAOYSA-N 296.842 3.599 30 20 CHED C=CCC1(C(=O)OCCc2ncc(C)cc2C)CCC1 842896075 JPNZDPDGRCPUQT-UHFFFAOYSA-N 273.376 3.531 30 20 CHED CC[C@H](OCCOC(=O)[C@@](C)(C#N)CC)c1ccccc1 845164798 BVDOXHPFSARTOM-DOTOQJQBSA-N 289.375 3.637 30 20 CHED C=C[C@H](C)ONC(=O)CCCc1csc2ccccc12 846548416 TUVIUPPFDSTLNZ-LBPRGKRZSA-N 289.400 3.846 30 20 CHED CCCCC[C@@](C)(CC)C(=O)N(C)[C@@H](C#N)CC 847168922 PHDCKTNDCAYEJP-UKRRQHHQSA-N 252.402 3.744 30 20 CHED CC[C@H]1CCCC(=NNc2ccc(CC(=O)O)cc2)C1 848415061 HWHHOVCKHUPWKX-LBPRGKRZSA-N 274.364 3.682 30 20 CHED N#Cc1ccc(OCCC2SCCS2)cc1Cl 853019695 GJPMLWGWBCKGTN-UHFFFAOYSA-N 285.821 3.787 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cnc2n1CCC2 853347664 NMLWQYGPTJBQRE-UHFFFAOYSA-N 282.391 3.707 30 20 CHED N#Cc1cc(-c2ccc(Cl)nc2)cc(N2CCCC2)c1 854169872 OPHGYQJECLROCL-UHFFFAOYSA-N 283.762 3.874 30 20 CHED CC(C(=O)N(c1ccc(C#N)cc1)C1CCC1)=C1CCC1 857676197 JOKLQPSJSGDTHH-UHFFFAOYSA-N 280.371 3.944 30 20 CHED CCCCCCCNC(=O)N(C)[C@@H](C)c1ccccn1 858111547 KQIHAVDXIOPBTH-AWEZNQCLSA-N 277.412 3.754 30 20 CHED C#CCN(C(=O)C[C@@H](C)c1ccco1)C1CCCCC1 858847947 LADPNAHKCDLRMW-CQSZACIVSA-N 273.376 3.568 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)C(Cl)(Cl)Cl 860642589 DKWOMBRMASBRTN-SSDOTTSWSA-N 286.586 3.618 30 20 CHED C[C@H]1C(=NNc2ccc(F)c(Cl)c2)CC[C@H]1CC(=O)O 863179129 PNXHOIQYUIADHW-BDAKNGLRSA-N 298.745 3.768 30 20 CHED Cc1sc(N(C)CCC#N)nc1-c1ccc(F)cc1 865399284 KRMVMWAYEJFKFB-UHFFFAOYSA-N 275.352 3.608 30 20 CHED Cc1cnc2c(NC(=O)C3(C#N)CCC3)cccc2c1Cl 875838381 WJYSKAZUQBVCAK-UHFFFAOYSA-N 299.761 3.829 30 20 CHED CCC(=O)N(C)c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 883314868 RBILQDXBPRCFGP-UKRRQHHQSA-N 285.391 3.554 30 20 CHED C=CCC[C@H](NC(=O)N1C[C@H]2C=C[C@H]1C2)c1ccccc1 883525279 YSQYIAUNSOKIIQ-XIRDDKMYSA-N 282.387 3.664 30 20 CHED C=C1CC(c2noc([C@H]3SCCc4ccccc43)n2)C1 896883377 HDEKCTUKRPILBK-AWEZNQCLSA-N 284.384 3.882 30 20 CHED C=C(C)C[C@H](N[C@H](C)CCC1CCCCC1)C(=O)O 901678558 HBQRFVKRJPYKRN-HIFRSBDPSA-N 267.413 3.744 30 20 CHED CC[C@@H](N[C@H](C)Cc1ccco1)c1cccc(C#N)c1 902734809 WMASEILCEFUTSF-CXAGYDPISA-N 268.360 3.823 30 20 CHED C=CCOC(=O)c1cc2cc(Br)ccc2o1 915241586 HOZLOJZMICEDOG-UHFFFAOYSA-N 281.105 3.538 30 20 CHED CN(N=CC1CCCCC1)C(=S)NCc1ccccc1 916276663 FYJDHSFXBPHFSI-UHFFFAOYSA-N 289.448 3.559 30 20 CHED Cc1cc(C)cc(NN=Cc2cccc([N+](=O)[O-])c2)c1 916346646 MKQUGAFNYNESIW-UHFFFAOYSA-N 269.304 3.658 30 20 CHED Clc1ccccc1CNN=CC1CCCCC1 918153466 VQQXWGJVZQEQQE-UHFFFAOYSA-N 250.773 3.996 30 20 CHED C=C(C)COC(=O)c1ccc(Oc2ccccc2)nc1 919385040 AYAJGVCLTPLNLU-UHFFFAOYSA-N 269.300 3.607 30 20 CHED CCC1CC(=O)C(=CNc2cc(Cl)ccc2C)C(=O)C1 920977776 MGDRTFKQBLTAHH-UHFFFAOYSA-N 291.778 3.902 30 20 CHED COc1ccc(CNN=Cc2ccc(Cl)c(F)c2)cc1 921258217 PJIBBYRYKDXCAF-UHFFFAOYSA-N 292.741 3.611 30 20 CHED CCC(CC)[C@H](CCN[C@H](C)CC(C)(C)C#N)OC 925586261 LBNXGTSKWBXXPR-HIFRSBDPSA-N 268.445 3.746 30 20 CHED COc1cc(N[C@H]2CC[C@H](C#N)C2)cc2ccccc12 927160134 RURSTOKMSMZRFP-JSGCOSHPSA-N 266.344 3.953 30 20 CHED C=C1CN(C(=O)Nc2ccccc2SC(F)(F)F)C1 929836254 VJGCRAMSAOKHCF-UHFFFAOYSA-N 288.294 3.702 30 20 CHED Cc1noc(C)c1N(C)CCCCC1(C#N)CCC1 930011234 APDJKJJXMLSKBY-UHFFFAOYSA-N 261.369 3.592 30 20 CHED N#CC1(CCCCN[C@@H](c2ccccn2)C2CC2)CCC1 932385400 IAZYOMNZXGJMRD-QGZVFWFLSA-N 283.419 3.986 30 20 CHED CCc1nc([C@H](C)Nc2nc(C)cc(C)c2C#N)cs1 1116028894 YCERTQXRBCYIJI-NSHDSACASA-N 286.404 3.762 30 20 CHED Cc1ccc(N(C)C(=O)CC#Cc2ccccc2)c(C)c1 1116271499 RZZQYYYJEDDXDZ-UHFFFAOYSA-N 277.367 3.708 30 20 CHED C#C[C@@H](CC)NC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1116777088 YWAIJESYKMTEGR-KRWDZBQOSA-N 283.415 3.760 30 20 CHED N#Cc1cccc(N(C(=O)C[C@H]2C=CCC2)C2CCC2)c1 1119486925 CAUVCEIWYFEHJF-AWEZNQCLSA-N 280.371 3.800 30 20 CHED C=C(C)CCC(=O)NCCc1ccccc1C(F)(F)F 1120681341 IKIKRUPUJCZSIL-UHFFFAOYSA-N 285.309 3.720 30 20 CHED Cc1csc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c1 1126713391 YTGILAHSAVIIKE-NSHDSACASA-N 271.341 3.846 30 20 CHED CC1CC(C#N)(C(=O)NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 1136488263 JQJSNUUJYPJUST-XTCFQUFBSA-N 290.451 3.751 30 20 CHED Cc1ccc(CN(C)Cc2ccc(C#N)cc2F)cc1C 1140140195 WFWMEYTUYYYVSL-UHFFFAOYSA-N 282.362 3.946 30 20 CHED CC(C)CCNc1nc2c(c(C#N)c1C#N)CCCCCC2 1184617885 TUIHPHTUUBJEFZ-UHFFFAOYSA-N 296.418 3.942 30 20 CHED C=C[C@@](C)(CC)c1nnc(-c2ccccc2OC)o1 1261574539 BXBWEJKIOISNED-HNNXBMFYSA-N 258.321 3.599 30 20 CHED C=CC[C@H](C(=O)[C@@H](C#N)c1cccc(F)n1)c1ccccc1 1263380919 FHJHDANLTYEQKS-GJZGRUSLSA-N 294.329 3.757 30 20 CHED C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)cc1F 1264024842 QKKTUVVILAHWEO-GFCCVEGCSA-N 294.329 3.679 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc(F)c(Cl)c1 1319308250 PDCIXULMABBPPI-UHFFFAOYSA-N 287.721 3.859 30 20 CHED N#CCOc1ccc(NCCc2ccc(F)cc2F)cc1 1320018189 RNMDVUCBBBMOBF-UHFFFAOYSA-N 288.297 3.522 30 20 CHED C=C(C)CNC(=O)Nc1ccc(SC(F)(F)F)cc1 1320494146 XNOMTHGXUWBNLS-UHFFFAOYSA-N 290.310 3.996 30 20 CHED C#CCCCNC(=O)c1csc(-c2ccc(CC)cc2)n1 1320795069 OJXFEXWXJCDCOE-UHFFFAOYSA-N 298.411 3.516 30 20 CHED C#CCOC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 1341861349 LOGHBKVJNUJSMZ-UHFFFAOYSA-N 287.746 3.538 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 1346416992 WGTBPTSFXNJSKM-SNVBAGLBSA-N 266.410 3.584 30 20 CHED C[C@@H]1CC/C(=C\C(=O)O[C@@H](CC#N)c2ccco2)C1 1347949044 PSLDMMMBUWWOHS-MHKDFRDQSA-N 259.305 3.524 30 20 CHED C=C(CC)C(=O)Nc1cc(OCC)ccc1Cl 1352263085 VRORDQZQPGFJKT-UHFFFAOYSA-N 253.729 3.643 30 20 CHED C[C@@H](OC(=O)c1nccc2occc12)c1ccc(C#N)cc1 1354919867 WKJBXHHKQYUHNB-LLVKDONJSA-N 292.294 3.617 30 20 CHED C[C@@H](c1nccc2ccccc12)N(C[C@@H](C)C#N)C1CC1 1461929750 XTFOZPMQJRIADE-KBPBESRZSA-N 279.387 3.920 30 20 CHED CC1(C)CN(C(=O)c2cccc(SCC#N)c2)C1(C)C 1465581529 KSLBTDXOLSWEQA-UHFFFAOYSA-N 288.416 3.563 30 20 CHED CCC[C@@H](NC(=O)Nc1sccc1C#N)C1CCC1 1467000764 WCMMGQTXXWFPHP-GFCCVEGCSA-N 277.393 3.710 30 20 CHED Cc1cc(Oc2ccc3c(c2)CCC3)ncc1C#N 1472638726 MLQIDKOYKPLTMR-UHFFFAOYSA-N 250.301 3.543 30 20 CHED CC(=O)c1ccc(COc2ccc(C#N)cc2Cl)cc1 1472961753 BXQWGUNPWBNYIW-UHFFFAOYSA-N 285.730 3.993 30 20 CHED N#Cc1ccc(F)cc1COc1ccc(F)c2cccnc12 1473055011 IKLSNOZEWCLXQY-UHFFFAOYSA-N 296.276 3.964 30 20 CHED CCC1(NC(=O)Nc2ccc(F)c(C#N)c2)CCCCC1 1476096600 BSWSLWFKDSYOAL-UHFFFAOYSA-N 289.354 3.932 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)c1cc(C#N)ccc1F 1539606319 XHQYVTQXCMBBJK-QGZVFWFLSA-N 294.329 3.804 30 20 CHED CCC[C@@H]1CCCC[C@H]1Nc1cc(C#N)nc(CC)n1 1559096600 RGWMCGLKYRUQKY-TZMCWYRMSA-N 272.396 3.681 30 20 CHED N#Cc1cccc(C#N)c1Nc1cccc(-c2ccon2)c1 1559287411 PRCOBAXOKVPGMU-UHFFFAOYSA-N 286.294 3.829 30 20 CHED CC(=O)c1ccc(COc2ccc(C#N)c(Cl)c2)cc1 1559401018 SGZSWSGORIGRHY-UHFFFAOYSA-N 285.730 3.993 30 20 CHED COc1ncccc1COc1c(C)cc(Cl)cc1C#N 1559427758 BAWNFADIUDMKFJ-UHFFFAOYSA-N 288.734 3.503 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1 1562909589 UFAZYNGICLOSJN-JRPNMDOOSA-N 289.354 3.644 30 20 CHED C[C@H](CC(=O)NCCc1ccc(C#N)cc1)C1CCCCC1 1587233171 DEHPUDHMSOKKME-OAHLLOKOSA-N 298.430 3.823 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CCC12CCC2 1621239494 VXBJXWVHCNCQKQ-OAHLLOKOSA-N 256.349 3.702 30 20 CHED CCC[C@@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F 1655005895 WTEGHSNHIXAPRR-CQSZACIVSA-N 294.345 3.924 30 20 CHED Cc1nc(Cl)cc(Sc2ccc(C#N)c(C)c2)n1 1655595585 HRRGLYGZSLAZIV-UHFFFAOYSA-N 275.764 3.770 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)c2ccsc2)c1 1672775276 IXALCMIHZCSANB-NSHDSACASA-N 285.372 3.811 30 20 CHED CCCC[C@H](CCC)CNC(=O)NCC(C)(C)CC#N 1685481985 LYAOEZQAYKKSLT-AWEZNQCLSA-N 281.444 3.832 30 20 CHED C=C[C@@H]1CCCN(Cc2c(C(=O)O)oc3ccccc23)C1 1776150283 FTACQHWIHWZKLZ-GFCCVEGCSA-N 285.343 3.529 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@H](C)C[C@@H](C)CC)C1 1776154484 DBEYEGYDYFOAHP-UXLLHSPISA-N 281.440 3.802 30 20 CHED C=CCc1ccccc1CNc1cc(C(=O)O)ccc1OC 1776188682 RNSNJRGEVALSDP-UHFFFAOYSA-N 297.354 3.734 30 20 CHED COc1cccc(SCC(=O)c2ccc(C#N)cc2)c1 37353868 IFUNMFMLRBGIOJ-UHFFFAOYSA-N 283.352 3.542 30 20 CHED C[C@@H](NC[C@@H]1Cc2ccccc21)c1ccc(C#N)cc1 37565359 ZIQFZZXQYGMOKC-DYVFJYSZSA-N 262.356 3.549 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)NCCC)cc1 37705800 IEMIXTWUJLNMDS-GFCCVEGCSA-N 253.773 3.879 30 20 CHED Cc1cc(C)c(NC(=O)NCc2cccc(C#N)c2)c(C)c1 43150336 DYRCPGNDDILLOH-UHFFFAOYSA-N 293.370 3.805 30 20 CHED Cc1ccccc1CNc1nc2c(cc1C#N)CCCC2 44298409 MGVAYCRSIVLESD-UHFFFAOYSA-N 277.371 3.753 30 20 CHED C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)[C@H]2CCCC[C@@H]21 49704767 GDPJOEHAKHTANH-OLMNPRSZSA-N 296.414 3.793 30 20 CHED CCC[C@H](CC)N[C@@H](C)c1ccc(OCC#N)cc1 50401807 ASQRWLJLPTYOKW-ZFWWWQNUSA-N 260.381 3.818 30 20 CHED C=C(Br)CN(C)[C@@H](C)c1cccs1 52440324 NVPXAKBFAQTGLC-VIFPVBQESA-N 260.200 3.650 30 20 CHED CN(Cc1cn2ccccc2c1C#N)c1ccc(F)c(F)c1 65594223 MNRGDQJZHQMCNM-UHFFFAOYSA-N 297.308 3.726 30 20 CHED C[C@H](N[C@H](C)CC#N)c1ccc(Cl)c(Cl)c1 68607784 ONIQGVUYDYMXPQ-BDAKNGLRSA-N 257.164 3.946 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(C)CC1CCCCC1 69606104 ZCGAZOWLRGUIHD-UHFFFAOYSA-N 285.391 3.911 30 20 CHED CC(=O)c1ccccc1NCc1ccc(C#N)cc1F 73984374 UULDTLXKWOTMEZ-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 75299799 PUJFLWXXERPTBF-JKSUJKDBSA-N 294.354 3.500 30 20 CHED CCCCCC[C@H](C)/C(O)=N/S(=O)(=O)CC(C)C 76910488 RKWJFAXKMHROGA-LBPRGKRZSA-N 277.430 3.535 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(C#N)c1 82349238 OZUNHCUIWMXTJJ-KBXCAEBGSA-N 290.366 3.576 30 20 CHED CCOc1ccc(O)c(CN(CCC#N)CC(C)(C)C)c1 93101258 YFLOJKVDPLGHCN-UHFFFAOYSA-N 290.407 3.553 30 20 CHED Oc1ccc(Br)cc1/C=N\Cc1ccccc1 100211051 SJEGBGIPJQOGGF-YBEGLDIGSA-N 290.160 3.774 30 20 CHED C=CCCOC(=O)c1csc(-c2ccccc2C)n1 103646179 CLKHGNQWIJIUTD-UHFFFAOYSA-N 273.357 3.851 30 20 CHED CC(C)(C#N)NC(=O)CC1CCC(c2ccccc2)CC1 108447872 QMSJZVVAJBSXAG-UHFFFAOYSA-N 284.403 3.769 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)cc1Br 116997276 ARFUAPAXCZMSRA-SNVBAGLBSA-N 297.196 3.844 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2CSc3ccccc32)c1 118222967 NIRCGIIVNMCJKY-INIZCTEOSA-N 293.391 3.520 30 20 CHED C#CCOc1ccc(NC(=O)[C@H](C)c2cccs2)cc1 120159588 QDZYCYKGUONQBV-GFCCVEGCSA-N 285.368 3.502 30 20 CHED Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C#N)C(C)(C)C)cc1 122126104 KLQYGWMNJDJCDW-JSGCOSHPSA-N 290.432 3.530 30 20 CHED C=C[C@@H](CC(=O)N(CC(F)F)C1CC1)c1ccccc1 131344714 CFAFWBVKPPUGOF-LBPRGKRZSA-N 279.330 3.602 30 20 CHED CC(C)c1ccc(/C=N/OCc2nnc(C(C)C)o2)cc1 131596274 KHNZVAYPGZOCQK-RQZCQDPDSA-N 287.363 3.867 30 20 CHED CCC(=CC(=O)Nc1nc2cc(C#N)ccc2n1CC)CC 132049968 BLSVCWITXUTIDF-UHFFFAOYSA-N 296.374 3.613 30 20 CHED Cc1cccc([C@@H](C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 133209698 STJWEGHZLCFJBB-CABCVRRESA-N 292.382 3.848 30 20 CHED COc1cc(C)cc(CN[C@H](C)c2ccc(C#N)cc2)c1 155018782 RVCXWWKSOCIDPI-CQSZACIVSA-N 280.371 3.726 30 20 CHED C=CCC[C@@H](NC(=O)N[C@H](C)CC)c1ccccc1 156119086 DHCVTXKYRREPLJ-UKRRQHHQSA-N 260.381 3.792 30 20 CHED Cc1nc2ccccn2c1CSc1cccc(C#N)c1 158737785 IHKWFLKKHCLNHA-UHFFFAOYSA-N 279.368 3.807 30 20 CHED COc1ccccc1OCCSCCCCC#N 161544961 KVXMUSVAOKXEHP-UHFFFAOYSA-N 265.378 3.501 30 20 CHED CC[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1Cl 162929733 MOQALZOWPBREBK-SMDDNHRTSA-N 262.784 3.975 30 20 CHED CC1(C)CCN(c2ccc(C#N)cc2Br)C1 168564965 JYHQXDFESSNBKC-UHFFFAOYSA-N 279.181 3.557 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2ccc(Cl)nc2)cc1 171029285 LBBPCKPKMKUZIK-UHFFFAOYSA-N 299.761 3.604 30 20 CHED C=CCCCSCCCS(=O)(=O)c1ccccc1 172214856 HGMBALBTBYZASA-UHFFFAOYSA-N 284.446 3.550 30 20 CHED C=CC1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 173314429 CIXYHJUXCGMQRH-AWEZNQCLSA-N 293.457 3.503 30 20 CHED CC(C)(NCc1cccc(C#N)c1)c1ccc(F)c(F)c1 175989557 PMYNJJQYERFFIO-UHFFFAOYSA-N 286.325 3.861 30 20 CHED CC(C)CCC(=O)N(C)c1cc(Cl)ccc1C#N 176429485 YBECAFBWUYHDLT-UHFFFAOYSA-N 264.756 3.611 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(C#N)cs1 178109597 XMIJZGSNBCSATC-DGCLKSJQSA-N 276.405 3.661 30 20 CHED CCC(=O)c1cccc(NC(=O)c2cccc(CC#N)c2)c1 178359676 CLGAOMWKGRKTFA-UHFFFAOYSA-N 292.338 3.598 30 20 CHED Cc1ccc(O)c(CN(Cc2ccc(C#N)cc2)C2CC2)c1 180030475 CEYPQBMAHUHOEW-UHFFFAOYSA-N 292.382 3.737 30 20 CHED CCCCCS[C@H](C)C(=O)Nc1ccccc1C#N 180732055 RGCOMBYZHSUFLK-GFCCVEGCSA-N 276.405 3.809 30 20 CHED Cn1nc(C2CCCC2)cc1NCc1cc(C#N)cs1 181024600 LDPWSDLEPAXTTF-UHFFFAOYSA-N 286.404 3.623 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H]1CC 181103167 MWUIJXLYPFKONY-KBPBESRZSA-N 252.402 3.705 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)cc1 181301729 IXFLFBUYKNUFEA-LLVKDONJSA-N 299.305 3.761 30 20 CHED C[C@H](C#N)Oc1ccccc1NCc1c(F)cccc1F 182578965 AIAOQFCVLYMTDR-LLVKDONJSA-N 288.297 3.868 30 20 CHED CCCCCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 183415043 RYPKGDXWLUYXTG-ZDUSSCGKSA-N 293.407 3.506 30 20 CHED CC[C@H](CC#N)NC(=O)c1sc2ccc(F)cc2c1C 183857826 YHDMVLMMGPPPQS-LLVKDONJSA-N 290.363 3.771 30 20 CHED Cc1cc2occ(C(=O)N[C@@](C)(C#N)C(C)C)c2cc1C 184913119 TXHFTRGVSPFCDS-KRWDZBQOSA-N 284.359 3.718 30 20 CHED C#CCOc1ccccc1NCc1ccc(C)c([N+](=O)[O-])c1 185172077 AZRWDVSBZRWUEZ-UHFFFAOYSA-N 296.326 3.527 30 20 CHED N#C[C@H]1CCC[C@@H](NCC2(c3ccc(F)cc3)CC2)C1 185783335 PQJGSDOSLKLLJQ-XJKSGUPXSA-N 272.367 3.529 30 20 CHED C=CCN(CC1CCCCC1)C(=O)N(C)C(C)C 190721925 HTTSDEPZTBPQGR-UHFFFAOYSA-N 252.402 3.515 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CCC1 191239228 HYJWQXGTVXHBRB-UHFFFAOYSA-N 298.386 3.646 30 20 CHED CCCCCCCCC(=O)O[C@@H](C)c1noc(C)n1 191332385 NQMXLWSOZUPFEF-NSHDSACASA-N 268.357 3.733 30 20 CHED Cc1cnc([C@H](N[C@@H]2CCC[C@H](C#N)C2)C2CC2)s1 192902977 OMLRXXKAAMMRJK-IACUBPJLSA-N 275.421 3.575 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(C)(C)CC 193045928 UBZGLLVVHFWBKL-UHFFFAOYSA-N 251.395 3.699 30 20 CHED Cn1cc(CCN[C@H]2CCC[C@H](C#N)C2)c2ccc(F)cc21 193299451 HPTYFIOMTGZTMW-BBRMVZONSA-N 299.393 3.532 30 20 CHED N#CCCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 194272972 NFHFQMGSBXAVHK-UHFFFAOYSA-N 283.350 3.700 30 20 CHED Cc1ccc(C(=O)/C=C/C(=O)Nc2c(C)cccc2C)cc1 199972904 JCFMZYMUXXBNSC-VAWYXSNFSA-N 293.366 3.989 30 20 CHED O=C(/C=C\c1ccccc1[N+](=O)[O-])c1cccc(F)c1 206839835 GVWMSBGPEGMYBD-HJWRWDBZSA-N 271.247 3.630 30 20 CHED COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)s2)cc1 211709549 YZPPLVLOCQBIHA-TWGQIWQCSA-N 286.352 3.739 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1 215885524 PZALTVWPMBIRRS-TWGQIWQCSA-N 285.368 3.911 30 20 CHED CS[C@@H]1CC[C@@H](Nc2nc3ccccc3cc2C#N)C1 226803801 YZVVDEAZYILBPW-ZIAGYGMSSA-N 283.400 3.802 30 20 CHED CC[C@@H](C)CN(C)c1ccc(F)cc1CNC[C@H](C)C#N 248641655 RJUHARRRKIXVRK-ZIAGYGMSSA-N 291.414 3.557 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 253381633 FKSQQGJOWAPEPI-VIFPVBQESA-N 288.174 3.913 30 20 CHED CCc1ccc(C(=O)/C=C\c2c(C)noc2C)s1 255362320 WCBUAFGUBKEBFK-SREVYHEPSA-N 261.346 3.811 30 20 CHED N#CCCN(C/C=C\c1ccc(F)cc1)Cc1ccco1 255414483 KCEKAPZLFQHBEV-RJRFIUFISA-N 284.334 3.848 30 20 CHED N#Cc1ccccc1/C=C\c1nc(-c2ccccc2)no1 255867623 HPFMMFJWFFIVQL-KHPPLWFESA-N 273.295 3.779 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCSc1ccc(Cl)cc1 264114256 WEFHLGXGKKNAKU-LLVKDONJSA-N 296.823 3.583 30 20 CHED COCC[C@@H](C)Nc1ccccc1SC[C@@H](C)C#N 267927415 MPLZREHMSUZLQV-QWHCGFSZSA-N 278.421 3.775 30 20 CHED C=CCCN1CCCCC[C@H]1C[C@H](O)c1ccco1 268374474 LHMCUSXTPJNCRX-GJZGRUSLSA-N 263.381 3.524 30 20 CHED C=CCC[C@H](NCc1csc([C@H](C)OC)n1)C1CC1 269681667 IGDJEDPORFMWNQ-FZMZJTMJSA-N 280.437 3.685 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cc(Cl)ccc1C)OCC 270141571 RUJVNYFJNGGIOW-CQSZACIVSA-N 281.783 3.958 30 20 CHED C#CCCCN1CCC[C@H]1c1nc2ccccc2n1CC 271023607 JONHFJRKUMGALK-KRWDZBQOSA-N 281.403 3.607 30 20 CHED CC(C)(C#N)C(=O)NC1CCC(c2ccc(F)cc2)CC1 272757909 PLPKMQODFJXCIF-UHFFFAOYSA-N 288.366 3.518 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1c(F)cccc1F 274237935 VMJSNJYRWHCENV-QJPTWQEYSA-N 264.319 3.698 30 20 CHED C#CCC(C)(C)C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 274345207 NIKOZRGIOPUOJM-WBVHZDCISA-N 283.415 3.516 30 20 CHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nc(C(F)(F)F)cs1 274616014 LDHSXAFTLNGKQP-YIZRAAEISA-N 289.326 3.505 30 20 CHED CC#CC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 277788578 UURSTMFMUUNCOZ-PBHICJAKSA-N 285.387 3.744 30 20 CHED Cc1ncc(CO)c(/C=N/c2ccc(C3CCC3)cc2)c1O 278164791 CPZKDSKLDLNVDU-KEBDBYFISA-N 296.370 3.606 30 20 CHED C[C@@H](CC#N)N(C)c1nc2cc(Cl)cc(Cl)c2o1 278952964 XJMNARJWOUDBHC-ZETCQYMHSA-N 284.146 3.873 30 20 CHED C=C(C)CCc1noc(CCCOCc2ccccc2)n1 285245750 WOLFELYWMPREGI-UHFFFAOYSA-N 286.375 3.728 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1c(F)cccc1F 285650212 CEZGLUKWRBEOFD-LKFCYVNXSA-N 267.275 3.509 30 20 CHED Cc1ccnc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c1 286075547 LGCITFDTHWRSMN-CQSZACIVSA-N 277.371 3.602 30 20 CHED CC(=O)[C@@H](C)SCc1ccc(Br)cc1C#N 286438483 HRXDMEODSIXBFP-SECBINFHSA-N 298.205 3.531 30 20 CHED Cc1cccnc1SCCCC1(C#N)CCOCC1 286511090 MQLRJJOGDUXJPQ-UHFFFAOYSA-N 276.405 3.583 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 286829816 UPHAFHPEPJNOMZ-QGZVFWFLSA-N 297.358 3.837 30 20 CHED CCCCCCCCCN(C)C(=O)c1cnn(CCF)c1 287050844 IPIGKLPRJVAGQG-UHFFFAOYSA-N 297.418 3.675 30 20 CHED Cc1cc(NC(=O)CCCC#N)cc(C)c1Cl 291848389 GFJOLPRYNNLAHS-UHFFFAOYSA-N 250.729 3.589 30 20 CHED Cc1ccc([C@@H](C)N(C)C(=O)CCCC#N)c(C)c1 292718307 TYNIQRMVWQQYGS-CQSZACIVSA-N 258.365 3.517 30 20 CHED CC(C)C1(NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 297252455 JLSKEXPJYDLCFA-OAHLLOKOSA-N 285.391 3.519 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Cl)cnc1Cl 297819119 UTHDZYPLRBCPMJ-UHFFFAOYSA-N 259.136 3.539 30 20 CHED CCOc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1OCC 299722595 STASBAHQVJAYTA-UONOGXRCSA-N 290.407 3.827 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CN(c2cccc(C#N)n2)C2CC2)o1 301498861 CQEAQDXOHRXMKB-LRDDRELGSA-N 293.370 3.839 30 20 CHED Cc1nnc(N2CCC(CCC(C)C)CC2)c(C#N)c1C 301635974 KZAJRRNGXWBMAU-UHFFFAOYSA-N 286.423 3.618 30 20 CHED N#Cc1ccc(N[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 302037428 VHHZUBZSOBWJCU-INIZCTEOSA-N 297.789 3.902 30 20 CHED CC(=O)c1ccc(C#N)c(NCC2(C(C)C)CC2)c1 302131878 YIOJSOSYLYUOQX-UHFFFAOYSA-N 256.349 3.609 30 20 CHED CC(C)C[C@@H]1OCCC[C@H]1Nc1ccc(C#N)cc1F 302481646 RITWOSZCUBGNHE-CVEARBPZSA-N 276.355 3.703 30 20 CHED CCCOC1(CNc2ccc(C)c(C#N)n2)CCCCC1 302624051 HPDJHZJJLFVAKJ-UHFFFAOYSA-N 287.407 3.803 30 20 CHED C#Cc1cccc(N(C)CCCOc2ccccc2)c1 303229581 YAIYEFYOTPGBHW-UHFFFAOYSA-N 265.356 3.573 30 20 CHED C=CC/N=C(/NCc1ccc(C)cc1)Nc1ccccc1 303474476 LGPLTRSBVRMAMD-UHFFFAOYSA-N 279.387 3.739 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H]2CCCC[C@H]2C)cc1 303881285 KSSWKLYXZVQZDR-KGLIPLIRSA-N 259.397 3.548 30 20 CHED Cc1cc(N[C@H](C)c2ccc(C)s2)cc(C#N)n1 308267379 LEFCWWAGBRGJNW-LLVKDONJSA-N 257.362 3.805 30 20 CHED C=CC[C@H](CC)NCc1cccc(Br)c1O 309489709 WRPRQUQHMSZVMG-NSHDSACASA-N 284.197 3.599 30 20 CHED N#Cc1cc(Sc2ccc(Cl)c(Cl)c2)ncn1 310342390 DFXWGRPPNQNHPK-UHFFFAOYSA-N 282.155 3.806 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2CCC[C@@H](C)[C@H]2C)C1 328757905 VKDIKSVGSXLBQF-QWQWKMKNSA-N 266.385 3.523 30 20 CHED CC[C@@](C)(/N=C(/O)c1ncoc1C1CC1)c1nccs1 328836532 MXEBSMJJAMTWQA-CQSZACIVSA-N 291.376 3.639 30 20 CHED Cc1nc2ccc(N=C(O)C[C@@H]3CCC[C@H](C)C3)cn2n1 329009579 OENWHRRHLFZZIJ-WCQYABFASA-N 286.379 3.842 30 20 CHED Cn1cc(N[C@@H]2CC[C@@H](C#N)C2)c(C2CCCCC2)n1 333563937 OMJSVZBKLPYXGZ-TZMCWYRMSA-N 272.396 3.572 30 20 CHED N#CCCC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 335384074 BHGAIOGWOQZYKC-UHFFFAOYSA-N 294.757 3.635 30 20 CHED C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccccc2C#N)C1 335669987 MCNVBGVPXIAHAY-KSSFIOAISA-N 277.371 3.536 30 20 CHED Cc1c(C#N)cccc1C(=O)N(C)[C@@H](C)c1ccccc1 337758418 NHSCGEBFZWAJOK-AWEZNQCLSA-N 278.355 3.700 30 20 CHED Cc1c(C#N)cccc1NC(=O)NCC12CCC(CC1)C2 339918913 RTTJOUKEZWCKTE-UHFFFAOYSA-N 283.375 3.569 30 20 CHED Cc1nsc(NCc2cc(-c3ccccc3)no2)c1C#N 339973475 DXUSLTYNAANGJR-UHFFFAOYSA-N 296.355 3.590 30 20 CHED C=CCCC(=O)Nc1ccc(-c2ccncc2)c(C)c1 341350644 NSCQQMBZJGBLAB-UHFFFAOYSA-N 266.344 3.962 30 20 CHED CC(C)(C)CN1CCC[C@@H](SCCC(C)(C)C#N)C1=O 342009371 AYQGSEULFMENBU-CYBMUJFWSA-N 296.480 3.697 30 20 CHED CC(C)(CCC#N)CNCc1cc(F)cc2cccnc12 342275642 JLSYLZWIEPETDJ-UHFFFAOYSA-N 285.366 3.793 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)n1 343047457 XISDPHIXVUVFEL-LSDHHAIUSA-N 283.762 3.883 30 20 CHED CCN(CCC#N)C(=O)c1ccccc1NC1CCCCC1 343163822 GLLFDOXBJQTEBV-UHFFFAOYSA-N 299.418 3.807 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn(CCCC)c1C 343249584 ZHRCIWHXDDVVMB-UHFFFAOYSA-N 263.385 3.532 30 20 CHED C=CCC[C@H](NCC[C@H]1CCOC1)c1ccccc1 346860123 INJTUCPYHNPRRF-RDJZCZTQSA-N 259.393 3.710 30 20 CHED CC1(C)CCC[C@@H](c2noc(-c3ccnc(C#N)c3)n2)C1 347239107 ONMWNRVOPQLMJR-GFCCVEGCSA-N 282.347 3.687 30 20 CHED CC1(C)C[C@H](N[C@H]2CC[C@H](C#N)C2)c2ccc(F)cc2O1 348186109 LVBYCEMMUBUTEU-WHOFXGATSA-N 288.366 3.710 30 20 CHED C=CCCCN(C)C(=O)c1ccc(SCC)cc1 349507955 PTVHAWNJYXZTFG-UHFFFAOYSA-N 263.406 3.837 30 20 CHED N#CCCCCCc1nc([C@@H]2CCC(F)(F)C2)no1 350331277 KDEVPHUCPKTCIX-SNVBAGLBSA-N 269.295 3.599 30 20 CHED C=CCC[C@H](O)CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 351614607 HZRDSUFPYRAEEW-JLJPHGGASA-N 289.419 3.695 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccnc(Oc2ccccc2)c1 352838704 MDDFWGPLQIXXQO-KRWDZBQOSA-N 295.342 3.752 30 20 CHED CCO[C@H](CCN[C@@H]1CCc2ccc(C#N)cc21)C(C)C 353257448 QJNCVUWHDHXWSB-QZTJIDSGSA-N 286.419 3.586 30 20 CHED C=CCCCCNC(=O)NC(C)(C)c1nc(C)c(C)s1 353336938 PSLCGINCQLDJFQ-UHFFFAOYSA-N 295.452 3.651 30 20 CHED C=CCSCCNC(=O)c1ccc(C(C)C)s1 354699172 BAGJBVAQKWYYJU-UHFFFAOYSA-N 269.435 3.521 30 20 CHED C[C@H]1CC(C(=O)N[C@H](C#N)c2ccccc2F)C[C@H](C)C1 355962482 LBTPZQVXMVBVHS-XHBSWPGZSA-N 288.366 3.579 30 20 CHED C=CCCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 357036474 KNMJOAYMHWMDCD-UHFFFAOYSA-N 285.387 3.513 30 20 CHED CSc1ccccc1CN(CCC#N)Cc1ccco1 358036553 PEOFBTCUYCYMSV-UHFFFAOYSA-N 286.400 3.917 30 20 CHED N#Cc1cccc(OC[C@H]2CCCCC2(F)F)c1 382061656 GKYHZDZRKKLOGO-GFCCVEGCSA-N 251.276 3.763 30 20 CHED Cc1ccsc1-c1noc(-c2ccc(C#N)s2)n1 395502235 WYVIQMVTKAAWBL-UHFFFAOYSA-N 273.342 3.707 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)Cc1cccc(Cl)c1 410119573 RJVUAFLBUMHBIK-DOMZBBRYSA-N 279.811 3.990 30 20 CHED CC(C)c1ccc(CNc2ncc(C#N)cc2F)cc1 413077083 RKLQZNZITYJHNC-UHFFFAOYSA-N 269.323 3.828 30 20 CHED CCc1nc(C)c([C@H](C)NCc2ccc(C#N)s2)s1 421881795 PGLFEAWNTBQQJH-VIFPVBQESA-N 291.445 3.798 30 20 CHED C=CCn1cc(CN[C@H](C)c2ccccc2C(C)(C)C)nn1 424295243 MOMYAOCXPOHNLN-CQSZACIVSA-N 298.434 3.612 30 20 CHED COc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)c(F)c1 424317836 CIQYHCQUEPDZPB-XTQGRXLLSA-N 288.366 3.567 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](Oc2ccccc2)C1 424667518 PMFAOZINOKJAIA-MRXNPFEDSA-N 287.403 3.659 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1nsc2ccccc12 424749511 DVOBVEMJGGJKFQ-GFCCVEGCSA-N 288.416 3.700 30 20 CHED C=C(C)CCNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 424859434 CZIORMAPJPITAP-TYUFSLCMSA-N 289.341 3.684 30 20 CHED CCc1occc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425117964 XOSLBUIKICXPAW-LBPRGKRZSA-N 282.343 3.547 30 20 CHED CC(C)SCCN(C)[C@H](C)c1cccc(C#N)c1 425530921 GHFUJRRXHVMOIN-CYBMUJFWSA-N 262.422 3.693 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CC1CC(F)(F)C1 425540116 UURLFUDWAFWCCN-NSHDSACASA-N 264.319 3.596 30 20 CHED N#Cc1c(F)cccc1COc1ccc2c(c1)CCCO2 427547898 AWZPXGCBGKREEB-UHFFFAOYSA-N 283.302 3.601 30 20 CHED C=CCN(CCC#N)Cc1ccc(Cl)c(Cl)c1 428853602 XDCYBVWXADGSOX-UHFFFAOYSA-N 269.175 3.895 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(CC(C)C)cc1 435748815 HDSYKCWHMXSPBO-MOPGFXCFSA-N 287.447 3.956 30 20 CHED C=C(C)COc1cc(CN(C)CC2CCC2)ccc1OC 435767855 LSPYGOXALQLBBO-UHFFFAOYSA-N 289.419 3.882 30 20 CHED Cc1ccccc1CN(C(=O)c1cc(C#N)oc1C)C1CC1 436085352 SXBKBEWBCQWFJR-UHFFFAOYSA-N 294.354 3.573 30 20 CHED C[C@H]1CCN(Cc2cc(F)ccc2C#N)C[C@H](C)C1 443649811 HCTVXQZEJVAZBT-QWHCGFSZSA-N 260.356 3.565 30 20 CHED CC(C)(c1ccccc1)c1noc(-c2cc(C#N)cs2)n1 445486680 OWKKGTFOVPPLPY-UHFFFAOYSA-N 295.367 3.996 30 20 CHED CC1(C)CCCN(Cc2cc3ccc(F)cc3[nH]2)[C@H]1C#N 446975392 QUCGNOOWCWGYRQ-INIZCTEOSA-N 285.366 3.821 30 20 CHED CCCCN1CCCC[C@H]1CNC1CCC(C)(C#N)CC1 449133121 XBTFJDQGJAVALM-ADKAHSJRSA-N 291.483 3.703 30 20 CHED N#Cc1cc(Br)ccc1N1CCC(CF)CC1 450691016 WVLPXEXDSCJKNF-UHFFFAOYSA-N 297.171 3.507 30 20 CHED N#CC1(CN2CCCc3c([nH]c4c(F)cccc34)C2)CCC1 450904261 NFRMUEJNRRHBSK-UHFFFAOYSA-N 297.377 3.749 30 20 CHED C=CCC[C@@H](NCc1cnccc1C)c1ccco1 453324401 LBJHMHXDFLYAOW-OAHLLOKOSA-N 256.349 3.780 30 20 CHED CC[C@@]1(C(C)C)C[C@H]1NC(=O)Nc1ccc(CC#N)cc1 454342274 JPOBZCBPUKNCPL-WBVHZDCISA-N 285.391 3.699 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(C2CC2)c(C)c1 455175877 GVYRDVIQDIOZOP-UHFFFAOYSA-N 283.375 3.806 30 20 CHED CC(C)[C@@H]1CN(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@@H]1C(C)C 456348854 SDWORNZYSBEORC-JCGIZDLHSA-N 298.430 3.801 30 20 CHED CCc1ccc(CCC(=O)Nc2cccc(CC#N)c2)cc1 456735362 QCSPRBGTSPJVHE-UHFFFAOYSA-N 292.382 3.886 30 20 CHED Cc1ccc(CN(C)C(=O)C2(C#N)CCCCC2)cc1C 456962456 NEBYYEXNLHTKLL-UHFFFAOYSA-N 284.403 3.736 30 20 CHED C=CCCCC(=O)N(C)[C@@H](C)Cc1cccc(F)c1 458276652 NFDCYTSDPXJYEG-ZDUSSCGKSA-N 263.356 3.571 30 20 CHED C=C(C)CCNC(=O)N(Cc1ccc(C)s1)C(C)C 459010570 WRGFHXYWRQRAGP-UHFFFAOYSA-N 280.437 3.943 30 20 CHED N#Cc1cccc(OCCNc2ccccc2Cl)c1 462209734 DXRBXRATYZVNRM-UHFFFAOYSA-N 272.735 3.703 30 20 CHED N#CCc1ccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 466105763 QSXMDARFEQXIOQ-SJORKVTESA-N 297.402 3.843 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC[C@H]1CCC 466376664 LRZYQNRYIHXGSR-UONOGXRCSA-N 252.402 3.705 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC1CCC1)CC1CC1 466377776 WEADXQJRAAUPCL-HNNXBMFYSA-N 264.413 3.563 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1Cc1ccccc1C 466661061 ODLJPTCJEAFPAA-GOSISDBHSA-N 283.415 3.722 30 20 CHED CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)s1 466777856 MRXLFQHWKFIDAY-DGCLKSJQSA-N 276.405 3.661 30 20 CHED C=C(C)CNC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C 466833288 VEHQCOVSHDGNKN-GOEBONIOSA-N 272.392 3.540 30 20 CHED C=CCCCCNCc1c[nH]nc1-c1ccc(F)cc1 472076521 CYNYDYBNAGEXPB-UHFFFAOYSA-N 273.355 3.662 30 20 CHED C=CCCCSCC(=O)NCCC1CCCCC1 476131334 DDZCONYPTWQERR-UHFFFAOYSA-N 269.454 3.772 30 20 CHED C=CCC1(C(=O)N2CC=C(C(C)(C)C)CC2)CCC1 478835645 JDPTYSDFYFUITK-UHFFFAOYSA-N 261.409 3.938 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1Cc2ccc(C)cc2C1 483250592 OMKZZGSYWJNTJZ-CQSZACIVSA-N 272.392 3.765 30 20 CHED C=CCCCCNC(=O)N1CCc2c(C)cc(C)cc2C1 486250915 CXXQVZCLXFNHFK-UHFFFAOYSA-N 286.419 3.727 30 20 CHED C=CCn1cccc1C(=O)N[C@H](C)c1cc2ccccc2o1 488601084 XWKQGMGMGVAZLF-CYBMUJFWSA-N 294.354 3.911 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(Cl)cccc1OC 489826988 QZEROVWDZJORJA-UHFFFAOYSA-N 281.783 3.681 30 20 CHED COc1cc(C#N)ccc1COc1ccc(C)c(C)c1 500838752 KCZOKNRDIVYTBP-UHFFFAOYSA-N 267.328 3.763 30 20 CHED C=CCCCC(=O)N1CCC(CC(F)(F)F)CC1 501424874 QNMYDGZKGRLBPD-UHFFFAOYSA-N 263.303 3.534 30 20 CHED C=CC[C@@H](CO)CNCc1ccc(-c2ccccc2)cc1F 503592105 LFONVRCQZJPRGD-OAHLLOKOSA-N 299.389 3.767 30 20 CHED C=CCc1cc(CN2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1O 505343795 MMGSGXIDBRNEDC-OKILXGFUSA-N 289.419 3.607 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC/C=C/c1ccc(F)c(F)c1 512355270 UPMUWUQXXQCELR-JNPAJOFYSA-N 293.357 3.549 30 20 CHED CC[C@H]1CCCN(C(=O)Nc2scc(C)c2C#N)C1 514907728 JTUGPIUESRPOBR-NSHDSACASA-N 277.393 3.582 30 20 CHED C=CCN(CC=C)CCOc1ccc(Br)cc1 515548298 RKLGDZSVNIFYEV-UHFFFAOYSA-N 296.208 3.502 30 20 CHED C=CC1CCN([C@@H](C(=O)O)c2c(F)cccc2Cl)CC1 520594427 KSCAGBUZDBKSNH-CQSZACIVSA-N 297.757 3.503 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 522125989 VTJUKBLAFBUBNY-QGZVFWFLSA-N 292.382 3.960 30 20 CHED CN(Cc1ccccc1C#N)[C@@H]1CCc2ccccc2C1 522268125 ZSDZHPYKFUSCMK-LJQANCHMSA-N 276.383 3.548 30 20 CHED C[C@H](N[C@@H](C)c1ncccc1F)c1ccc(C#N)cc1F 528036432 RVJICHSXXLEVLI-QWRGUYRKSA-N 287.313 3.643 30 20 CHED CC#CCCCc1nc(Cc2ccc(F)c(Cl)c2)no1 528225605 JGLBONHQICHQPI-UHFFFAOYSA-N 292.741 3.799 30 20 CHED C[C@@H]1CC[C@H](c2noc(C[C@H](CC#N)c3ccccc3)n2)O1 528242208 PZWCZNIIXZFONC-VHDGCEQUSA-N 297.358 3.550 30 20 CHED CC1(C)CCCN(C(=O)CC2(c3ccccc3)CC2)[C@@H]1C#N 529172773 RCTGEQRYUHKJJQ-MRXNPFEDSA-N 296.414 3.649 30 20 CHED COc1cc(C#N)cc(Cl)c1OC/C=C(\C)Cl 530160000 LRFXKSAALIFPKI-FPYGCLRLSA-N 272.131 3.742 30 20 CHED CC(C)Oc1ccccc1[C@H](C)Nc1ccc(C#N)nc1 530695248 LWZJSSWEOCPPLK-ZDUSSCGKSA-N 281.359 3.914 30 20 CHED CC1CC(C#N)(C(=O)NCc2ccc(C(C)(C)C)cc2)C1 532321548 UIHMEJWJXUFLPC-UHFFFAOYSA-N 284.403 3.540 30 20 CHED Cc1ccc2oc(Oc3cccc(F)c3C#N)nc2c1 535120133 IJWRDUPQFWBADW-UHFFFAOYSA-N 268.247 3.939 30 20 CHED CCC(CC)[C@@H](C)C(=O)N(C)c1cccc(C#N)c1 536380600 ARTAIPRYJSJLBW-GFCCVEGCSA-N 258.365 3.593 30 20 CHED CCc1ccc(C(C)(C)CNCc2ccc(C#N)o2)cc1 540627039 ZQYNRFOAPPCGEO-UHFFFAOYSA-N 282.387 3.781 30 20 CHED C[C@@H](CCc1n[nH]c2ccccc12)Nc1cccc(C#N)c1 543110928 LLVOHLXDZSBJRU-ZDUSSCGKSA-N 290.370 3.868 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1ccccc1OC(C)C 546644005 BNBYOPKODODZSF-OAHLLOKOSA-N 287.403 3.845 30 20 CHED C=CCN(C)C(=O)c1c2c(nc3ccccc13)CCCCC2 549293616 CTGNSNUKHGKWIF-UHFFFAOYSA-N 294.398 3.762 30 20 CHED C=CCOCCN[C@H](c1ccccc1C)C(C)(C)C 549535974 NQUFCGMJNIRZAD-MRXNPFEDSA-N 261.409 3.874 30 20 CHED C=CCC(C)(C)CNCc1ccc(Oc2cnccn2)cc1 555592150 MXJWXXSLKPZNSP-UHFFFAOYSA-N 297.402 3.961 30 20 CHED C=CCC[C@H](C)NCc1ccc(OC(F)F)c(F)c1 556239701 UQGWHJJYEIVYFK-JTQLQIEISA-N 273.298 3.871 30 20 CHED CC(=O)c1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1C 563372688 STVJJBGCFDXPAN-SFHVURJKSA-N 296.370 3.610 30 20 CHED C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 564648992 RDXJEICCZWUUFR-NSHDSACASA-N 290.794 3.910 30 20 CHED Cc1cc(C(C)(C)C(=O)O)ccc1-c1ccsc1C#N 576597974 CXUJKRXUYFXJHO-UHFFFAOYSA-N 285.368 3.957 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC1(c2cccc(C#N)c2)CC1 579867493 OOKOMFKTOHCIJY-GDBMZVCRSA-N 268.404 3.963 30 20 CHED C=CCC[C@@H](NC[C@H](O)C1CCCCC1)c1ccco1 581256729 ISIPAFQPBGLHSD-CVEARBPZSA-N 277.408 3.818 30 20 CHED N#CCCCCCC(=O)N[C@H]1CCc2c(Cl)cccc21 588153461 VGMBVRNWHRZPEJ-HNNXBMFYSA-N 290.794 3.918 30 20 CHED N#CCCCCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 588158871 WGBWVSWHBLHTDA-ROUUACIJSA-N 298.430 3.988 30 20 CHED O=[N+]([O-])c1ccc(C=NOCc2cc(Cl)ccc2F)o1 588557388 BHOSWLCJCNGKIE-UHFFFAOYSA-N 298.657 3.531 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCC1Cc2ccccc2C1 589513062 UJVXMQFLBWQWGA-FQEVSTJZSA-N 288.394 3.550 30 20 CHED N#CCCC1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 592819573 STHIUSHIOIDCGO-IAGOWNOFSA-N 288.435 3.745 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1coc2ccc(Cl)cc12 593106467 SYVYUYZNZPBSND-AWEZNQCLSA-N 276.723 3.508 30 20 CHED N#Cc1ccccc1-c1cccc(CO[C@H]2CCOC2)c1 593951551 DWVSGUSFDLXVLY-KRWDZBQOSA-N 279.339 3.531 30 20 CHED CCc1ccc(-c2ccc(C(=O)N(C)[C@@H](C#N)CC)o2)cc1 594096263 ACCHHSUACSFCTB-OAHLLOKOSA-N 296.370 3.883 30 20 CHED C[C@@H](C#N)CN(C)CCSc1cccc(Cl)c1 595302145 RYFUYTUXQMAKKW-NSHDSACASA-N 268.813 3.524 30 20 CHED COc1nc(C)cc(C)c1CSCC1(CC#N)CC1 596363566 IZSBSWNYSCHMCA-UHFFFAOYSA-N 276.405 3.634 30 20 CHED N#CC1(CC(=O)NCc2ccc(Cl)cc2)CCCCC1 596620101 YDUHRFXQVCCDFE-UHFFFAOYSA-N 290.794 3.820 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CC3(CC3)C2)cc1 597185844 XZVPYKOJMRDYGO-INIZCTEOSA-N 296.414 3.855 30 20 CHED CS[C@H]1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 597261662 JZEPNFYMZOBXPD-KBPBESRZSA-N 294.464 3.641 30 20 CHED C=CCCSCCNC(=O)C(C)(C)C1CCCC1 597968600 JDZMRAXAQISAAO-UHFFFAOYSA-N 269.454 3.628 30 20 CHED CC(C)N(CCC#N)C(=O)CCc1ccc(Cl)c(F)c1 599234577 MBNGHRYQJAXBMF-UHFFFAOYSA-N 296.773 3.562 30 20 CHED COC[C@H](C)N(CCCCC#N)[C@@H]1CCc2ccccc21 599681466 FHJZZCPVEZZNDW-MAUKXSAKSA-N 286.419 3.705 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cc(Cl)cc(Cl)c1 600087572 NUIFRYJCHODOFQ-UHFFFAOYSA-N 299.201 3.940 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 600104379 HLXZQBKWWYCPIU-GXTWGEPZSA-N 290.794 3.642 30 20 CHED N#C[C@H](Sc1nc2ccccc2n1C(F)F)C1CC1 601074708 YVZLYTNDSJPRJG-NSHDSACASA-N 279.315 3.826 30 20 CHED C[C@@H](CCC#N)CN(CCC(F)(F)F)CC1CC1 602483694 JRSGKAGFOWJAJG-NSHDSACASA-N 262.319 3.591 30 20 CHED C[C@@H](CCC#N)CNc1ccc(F)cc1OC(F)F 602496612 OHTAJIQXLNXZOI-VIFPVBQESA-N 272.270 3.779 30 20 CHED CC[C@H](NC[C@H](C)CCC#N)c1ccc(F)cc1F 602557921 PPROUHAWIGSIIG-ABAIWWIYSA-N 266.335 3.945 30 20 CHED C[C@H](CCC#N)CN[C@](C)(Cc1ccccc1)C1CC1 602687496 XTEQOWCJICXQSU-CRAIPNDOSA-N 270.420 3.927 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCC[C@@H]1C(C)(C)C 602692459 ICWCKJMNFRZVMK-OWCLPIDISA-N 292.467 3.890 30 20 CHED CCN(CC#N)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 604481127 IRMVQOKFQHUDEY-UHFFFAOYSA-N 298.317 3.604 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 604511147 SFRXJLMZLDJXGJ-CJNGLKHVSA-N 298.386 3.744 30 20 CHED CN(C(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1F 608799078 RIZXUOGGGNKEJY-UHFFFAOYSA-N 288.709 3.627 30 20 CHED Cc1ccccc1NC(=O)c1cc2ccccc2n1CC#N 609159173 BFKLSLWMJREEAH-UHFFFAOYSA-N 289.338 3.726 30 20 CHED N#Cc1ccccc1/C=C\c1nc(Cc2cccs2)no1 609474645 IUBCKCOMXJLNFU-FPLPWBNLSA-N 293.351 3.764 30 20 CHED COc1ccccc1[C@H]1CCCCN1c1ncccc1C#N 611204096 MUHDXNJUYUPOBR-MRXNPFEDSA-N 293.370 3.693 30 20 CHED C[C@]1(C#N)CCCN(Cc2cc(-c3ccc(F)cc3)no2)C1 612164883 JSWCOHOOVXMWRZ-QGZVFWFLSA-N 299.349 3.606 30 20 CHED Cc1ccc(OC(F)F)c(CN2CCC[C@](C)(C#N)C2)c1 612406838 VJQYHGYFIITZSM-MRXNPFEDSA-N 294.345 3.722 30 20 CHED C[C@]1(C#N)CCCN(Cc2cnc(C3CCC3)s2)C1 612407129 ZGABDCCCGQKMPW-OAHLLOKOSA-N 275.421 3.536 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OC(C)C)cc1C 613141901 XAGBDGOQSLHWFT-UHFFFAOYSA-N 288.391 3.988 30 20 CHED Cc1cc(Cl)ccc1CN1CCC[C@](C)(C#N)C1 613540394 UHVAZCDZFMBRBL-OAHLLOKOSA-N 262.784 3.774 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc(C)n(CC)c2C)C1 617787083 HDWQLOJPECGSNT-OAHLLOKOSA-N 274.408 3.553 30 20 CHED N#Cc1ccc(/C=C/c2ccc3cnccc3c2)nc1 618634052 DDVAQXVKHIMMLS-GORDUTHDSA-N 257.296 3.672 30 20 CHED C=C[C@@H](CC(=O)NCCCc1ccco1)c1ccccc1 620364360 WFNXBWSZWYAJJK-HNNXBMFYSA-N 283.371 3.688 30 20 CHED C=CCSc1ccccc1C(=O)NCC1CC=CC1 628542695 YPFBFLLHWMFCRN-UHFFFAOYSA-N 273.401 3.661 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](c1ccccc1)C1CC1 647070374 WBWNRWGUIZVTEA-SJLPKXTDSA-N 271.404 3.899 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCC(F)(F)C1 652626164 KPMWTYNLUOSXBM-GFCCVEGCSA-N 298.381 3.603 30 20 CHED C=C(C)CN1CCC(NCc2cc3c(C)cccc3[nH]2)CC1 657352202 FGOYXYGFVFWKTA-UHFFFAOYSA-N 297.446 3.606 30 20 CHED C=CC[C@H]1CCCC[C@H]1NC1CCN(CCC)CC1 657823076 IHZXTECDUSQVTE-DOTOQJQBSA-N 264.457 3.585 30 20 CHED C=CCCN[C@H](C)c1ccc(SC)c(OC)c1 658115920 FONCTBWNYYUVLS-LLVKDONJSA-N 251.395 3.644 30 20 CHED C=CCC[C@@H](CCC)NCC1CCN(CC2CC2)CC1 658355042 GYZKEXLNMZPXTA-GOSISDBHSA-N 278.484 3.833 30 20 CHED CSc1cc(C)c(C(=O)[C@@H](C#N)c2nc(C)cs2)o1 663358255 APYMPIAMCAYSIP-SECBINFHSA-N 292.385 3.565 30 20 CHED CCCCCCCNCc1nc2ccccc2n1C 703769866 FKYKULPNILHHMC-UHFFFAOYSA-N 259.397 3.633 30 20 CHED N#Cc1cc(F)cc(NC(=O)c2cccc(Cl)c2)c1 720267671 IQXLRRIIWCIJLJ-UHFFFAOYSA-N 274.682 3.603 30 20 CHED CCc1cccc2c(C=Nn3cnc4ccccc43)c[nH]c12 725849564 MTPGOOOYXIJTFK-UHFFFAOYSA-N 288.354 3.962 30 20 CHED Cn1cc(C(=O)/C=C/c2cccc(C#N)c2)c2ccccc21 726740627 MKMXVUHPNHEWLA-MDZDMXLPSA-N 286.334 3.946 30 20 CHED CC(C)CC[C@@H]1CCCC1=NNCCN1CCCCC1 727255088 ISWREWZHFBYSNZ-INIZCTEOSA-N 279.472 3.654 30 20 CHED Cc1cc(C)cc(NC(=S)N(CCC#N)CC2CC2)c1 728793176 PRWISPSDEJAMST-UHFFFAOYSA-N 287.432 3.626 30 20 CHED C=CCOCC(=O)Nc1ccc(-c2ccccc2)cc1C 729313137 MHMDOZZMGMYCTC-UHFFFAOYSA-N 281.355 3.803 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(OCC#N)c2)s1 730150996 GYZZMCWDGYTAFK-VOTSOKGWSA-N 283.352 3.855 30 20 CHED CC(=NNc1cc(C)ncn1)c1oc2ccccc2c1C 731935605 IFDCPDXGEIDAOE-UHFFFAOYSA-N 280.331 3.676 30 20 CHED CCCC[C@@H]1CCCC1=NNc1nccnc1Cl 733079092 UFVVIHYWWJXGEZ-SNVBAGLBSA-N 266.776 3.888 30 20 CHED C=C(Cl)COC(=O)c1sc(C)cc1OC(F)F 734059132 STOKHZDFGFHUTN-UHFFFAOYSA-N 282.695 3.567 30 20 CHED C=C(Cl)COC(=O)C[C@@H](C)c1ccccc1C 734910943 YJIUJSLQULNXJS-LLVKDONJSA-N 252.741 3.784 30 20 CHED CCc1cccc(CC)c1NC(=O)[C@@H](C)ON=C1CCC1 735489934 KWTDMLHBGXGSSD-GFCCVEGCSA-N 288.391 3.695 30 20 CHED Oc1cccc(/C=N/CCc2cc3ccccc3o2)c1O 739425632 GUBXPCYSBSCGHA-WOJGMQOQSA-N 281.311 3.506 30 20 CHED FC(F)CNN=C1CCC(c2ccccc2)CC1 740618387 WWPJWUJTRXUEQK-UHFFFAOYSA-N 252.308 3.555 30 20 CHED CCC(=NNCc1ccc(Br)cc1)C1CC1 741163108 OWHMNWHZMDRHFP-UHFFFAOYSA-N 281.197 3.715 30 20 CHED CCOc1cccc(C(C)=NNc2ccccc2)c1 743526161 OBCDTUAMCQQZFK-UHFFFAOYSA-N 254.333 3.921 30 20 CHED C/C(=C\C(=O)N[C@H](C)c1cccc(C#N)c1)C(C)(C)C 743779359 VXBFAXMDAUBYCD-CNELAYHGSA-N 270.376 3.728 30 20 CHED CCCCc1ccc(C(=O)OCC2(CC#N)CC2)cc1 744276812 MUJRVQUPXIOCHU-UHFFFAOYSA-N 271.360 3.880 30 20 CHED C=C(C)CCOC(=O)c1ccc(-c2ccccc2)nc1O 744302851 CJWVYRLOJPFAQV-UHFFFAOYSA-N 283.327 3.577 30 20 CHED N#Cc1ccc(CC(=O)OCCCC2CCCC2)cc1 744911914 VFQRJGVSJWSESR-UHFFFAOYSA-N 271.360 3.614 30 20 CHED C#CCCOC(=O)/C=C(/CC)c1cccc(Cl)c1 745949967 XUJKCADPQVGZCU-QXMHVHEDSA-N 262.736 3.700 30 20 CHED CC(=O)Nc1ccsc1C=NNc1ccc(F)cc1C 750946529 SKHKTVIMGWNRJP-UHFFFAOYSA-N 291.351 3.600 30 20 CHED CC1=CC(=NNc2nc(-c3ccncc3)no2)CC(C)(C)C1 750949371 VOTOUMZOZTUHNI-UHFFFAOYSA-N 297.362 3.666 30 20 CHED O=C(/C=C\c1ccccc1C1CC1)c1cncc(F)c1 751034792 CQUWLNCWAIHBIY-FPLPWBNLSA-N 267.303 3.994 30 20 CHED CCC/C=C/C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 752037944 RPJXSDACIKJXPI-LRHXDOFJSA-N 282.387 3.641 30 20 CHED C#C[C@@H](CC)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 754389764 JXPPAHBIOQDJID-GWCFXTLKSA-N 298.213 3.700 30 20 CHED Cc1cccc2[nH]c(COC(=O)c3cccc(C#N)c3)cc12 754703695 NKXNIIBHJSQAJO-UHFFFAOYSA-N 290.322 3.705 30 20 CHED CCCCNN=Cc1c[nH]c2cccc(Br)c12 754707226 ZPXWZJTZLZOJDT-UHFFFAOYSA-N 294.196 3.654 30 20 CHED CC[C@H](C)c1ccc(C(=O)N(CC)C[C@H](C)C#N)cc1 755186682 YATHAXDRYIZHKV-KGLIPLIRSA-N 272.392 3.822 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@@H]1CC)C1CCCCC1 757284762 WNLRHDJBKRAWTH-GOEBONIOSA-N 276.424 3.543 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2CCC[C@H]2C)cc1C#N 757876837 RGGZJJQZPACENL-BXUZGUMPSA-N 287.363 3.727 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1C(=O)OCC1CCC1 757897688 LJPUAIWRLFXONZ-UHFFFAOYSA-N 283.249 3.534 30 20 CHED CCC(=NNc1ccc(C(C)(C)C)cc1)c1ccn(C)n1 758127754 UBJBUBFAFDTTEG-UHFFFAOYSA-N 284.407 3.944 30 20 CHED C#CCCCCNCc1ccccc1OC1CCCC1 758498043 WGNPVZRXTGYCJD-UHFFFAOYSA-N 271.404 3.901 30 20 CHED COc1cccc(O)c1/C=N\[C@@H]1CCc2c(OC)cccc21 759641705 FZIMRGFDSIUGMX-MXDDHBLUSA-N 297.354 3.516 30 20 CHED CCC(CC)(CC)C(=O)OCc1ccc(C#N)cc1F 761479335 LPRXHIVNLLYYLB-UHFFFAOYSA-N 277.339 3.957 30 20 CHED COc1cc(F)ccc1NN=C(C)c1ccccc1 761894665 CDHYNGPXRWVQRS-UHFFFAOYSA-N 258.296 3.670 30 20 CHED C[C@@](C#N)(NC(=O)C(F)=C1CCCC1)C1CCCCC1 763046476 BKGNYQAONBKVRV-INIZCTEOSA-N 278.371 3.763 30 20 CHED COc1ccc(F)cc1C(=O)O[C@H](C)c1cccc(C#N)c1 764605750 KBSOORWFEOAOID-LLVKDONJSA-N 299.301 3.624 30 20 CHED Brc1ccsc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 764908973 ZEIPELHJAFCGOL-QXEWZRGKSA-N 299.237 3.623 30 20 CHED Cc1cc(C=NNc2ccc(C#N)c(Cl)c2)ccc1C#N 766453973 FTFFEXQRSXVTPX-UHFFFAOYSA-N 294.745 3.838 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2cncc(C)c2)c1C 767367611 PFLJTMWMWBFKCZ-VOTSOKGWSA-N 283.375 3.509 30 20 CHED Cc1cc(NN=CC2CCC(C(F)(F)F)CC2)ncn1 767378835 RUWJHVFFPMAZEV-UHFFFAOYSA-N 286.301 3.551 30 20 CHED C=CC[C@@H](N[C@@H](C)c1cncc(C)c1)c1ccncc1 768223173 KAPOAMVQNAEHAH-WMLDXEAASA-N 267.376 3.753 30 20 CHED C#CC[C@@H](NC(=O)[C@H](F)c1ccccc1)c1ccccc1 769452905 CILZKJWKVYTUHG-IAGOWNOFSA-N 281.330 3.578 30 20 CHED CC(C)COC(=O)c1cn(CCCC#N)c2ccccc12 769544194 YWZJBZRFKNRLKT-UHFFFAOYSA-N 284.359 3.758 30 20 CHED Cc1ccc(NN=Cc2cn(C)nc2-c2cccs2)cc1 769568164 WVJMQTQPVIIBFT-UHFFFAOYSA-N 296.399 3.903 30 20 CHED N#Cc1ccc(CNN=Cc2csc3ccccc23)cc1 769821216 UQQFJJKBLOSCGH-UHFFFAOYSA-N 291.379 3.897 30 20 CHED COc1ccccc1C=NNc1c(F)cccc1Cl 769826252 CDCXGYKDFAWYIK-UHFFFAOYSA-N 278.714 3.934 30 20 CHED Cc1ccc(-c2cccc(C=NNC[C@H](C)C#N)c2)cc1 771104921 WTZWUVRFMHIACF-OAHLLOKOSA-N 277.371 3.745 30 20 CHED CCO[C@H](C/N=C/c1c(O)cccc1OC)c1ccccc1 772155553 RGNYHMHVPCHRGB-LSCADSNKSA-N 299.370 3.598 30 20 CHED C#CCCCCN[C@@H]1CCCOc2c(Cl)cccc21 773038527 SNOLFBDLIMAZGJ-OAHLLOKOSA-N 277.795 3.947 30 20 CHED CCC(=NN[C@H]1CCCCC1(C)C)C1CCOCC1 773126038 RASQIKXRGOFMLA-HNNXBMFYSA-N 266.429 3.737 30 20 CHED C=C(CC)COC(=O)[C@@H](C)SCc1ccccc1 773496746 NPBJNULSEGTLPK-CYBMUJFWSA-N 264.390 3.818 30 20 CHED C=C(CC)COC(=O)[C@@H](C)CC(=O)c1cccc(F)c1 773522863 MHHFXXYYPKBILS-LBPRGKRZSA-N 278.323 3.544 30 20 CHED C[C@H](OC(=O)[C@@H]1CCCC1(C)C)c1cccc(C#N)c1 774044516 KZPOLJQDQUXACU-WFASDCNBSA-N 271.360 3.989 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N1CCC[C@@H](O)C1 775525940 SEWUPCOXAHCITG-HZPDHXFCSA-N 283.456 3.747 30 20 CHED C#C[C@H](N[C@H](C)c1ccc2ccccc2c1)[C@@H]1CCCO1 775574491 PRLFITMPJNTUOI-CCKFTAQKSA-N 279.383 3.671 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cnc(Cl)c(C)c1 776193376 XNGLTMVBXZYEID-SNAWJCMRSA-N 286.762 3.897 30 20 CHED CC(C)(C#N)CCOC(=O)c1coc2ccccc12 776385412 KUKPXRFYUQGYKM-UHFFFAOYSA-N 257.289 3.529 30 20 CHED CC(C)(C#N)CCOC(=O)CCc1cc(Cl)cs1 776386775 NKWUZZQQPRKPGQ-UHFFFAOYSA-N 285.796 3.817 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccc(F)cc1 776846439 FFNZWNHZCHLXOP-UHFFFAOYSA-N 269.323 3.741 30 20 CHED Clc1nc2ccccn2c1C=NOC1CCCCC1 777458374 DRWFJSHOAFUDOE-UHFFFAOYSA-N 277.755 3.671 30 20 CHED Cc1cccc2c1CCC2=NOCCC(F)(F)F 777460841 RQHRAQHBNUXGSA-UHFFFAOYSA-N 257.255 3.614 30 20 CHED C=C(C)CN(C)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 778456512 HPNHPHLUZVWNFS-UHFFFAOYSA-N 270.376 3.939 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNCCOCC(F)(F)F 779781422 DBXFHAGEJWQOPM-NSHDSACASA-N 282.350 3.603 30 20 CHED CNc1ccccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 782037183 WICKJAJZHLNQDX-LBPRGKRZSA-N 280.327 3.518 30 20 CHED CC(CCc1n[nH]c2ccccc12)=NN[C@@H]1C[C@H]2CC[C@H]1C2 782228012 TXDYSEUWIVFXIL-SUNYJGFJSA-N 296.418 3.650 30 20 CHED CC(CN1Cc2ccccc2C1)=NN[C@@H]1CCCC1(C)C 782302249 RXFLMOUQMSKHKD-QGZVFWFLSA-N 285.435 3.546 30 20 CHED C=C[C@@H]1CCCCN1C(=S)Nc1cc(C)ccc1F 782420215 WEWNNLNKUHUASJ-GFCCVEGCSA-N 278.396 3.871 30 20 CHED CC1(C)[C@@H](NCc2ccc(C#N)cn2)C[C@@H]1c1ccccc1 783295115 ZSTBERSLZUUBOZ-MSOLQXFVSA-N 291.398 3.625 30 20 CHED C=CCN(CC1CCCCC1)C(=O)/C=C/c1cnccc1C 783981074 ZLRXDXFYPFEDBX-MDZDMXLPSA-N 298.430 3.998 30 20 CHED N#C[C@H](C(=O)C12CCC(CC1)C2)c1nc2ccccc2o1 784833624 POMKBNYVRHQTTH-VMBJYNEYSA-N 280.327 3.584 30 20 CHED C=C(C)[C@H](CC(=O)OCc1c(C)cc(C)cc1F)OCC 785917095 IGVVMSQOZVYDJM-INIZCTEOSA-N 294.366 3.857 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccccc2-c2ccccc2)C1 786578140 ATSOYYBZEIBLDX-SFHVURJKSA-N 280.346 3.791 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1coc(C)n1 789051880 YQKOQCBAEPJQRR-UHFFFAOYSA-N 267.691 3.612 30 20 CHED COC1(C=NNc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 790156540 DHMARYMCWOVPIJ-UHFFFAOYSA-N 297.742 3.605 30 20 CHED CCOc1cccc(C(C)=NNc2cccc(Cl)n2)c1 793174017 GKQCHVVVVWIBLC-UHFFFAOYSA-N 289.766 3.970 30 20 CHED C=CCCCCC[C@@H](C)NC1CCN(CC(F)F)CC1 793528907 RJMGHUTYTJJWCJ-CQSZACIVSA-N 288.426 3.831 30 20 CHED C#Cc1cccc(NC(=O)[C@H](OC(C)C)c2ccccc2)c1 794217653 APLZNJZFFMFMIF-GOSISDBHSA-N 293.366 3.773 30 20 CHED CC(C)C[C@@H]1CCCC(=NOC[C@H]2CCOC2)C1 794536805 ZCVYLPWQVZMCGX-KBPBESRZSA-N 253.386 3.632 30 20 CHED FC(F)(F)CCNN=Cc1cc2ccccc2s1 794551627 HLOLKMHGXWESEZ-UHFFFAOYSA-N 272.295 3.777 30 20 CHED C[C@H]1CSCC1=NNc1ccc(Br)cc1 794888668 QYTIVWPPVYZHFA-QMMMGPOBSA-N 285.210 3.600 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)c1ccnc(F)c1 794913848 BWMSIFLBBWMSCG-UHFFFAOYSA-N 271.339 3.982 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(C(F)F)cc1 794936168 WKEXLIRCFQWZJK-RMKNXTFCSA-N 290.313 3.871 30 20 CHED Clc1c(C=NNc2cncnc2)sc2ccccc12 794978648 LYNVVRLHYOEJCW-UHFFFAOYSA-N 288.763 3.791 30 20 CHED Fc1cccc(NN=Cc2cccc(OC(F)(F)F)c2)n1 795008919 SUJISFFCPOROCE-UHFFFAOYSA-N 299.227 3.565 30 20 CHED CC#CCCCC(=O)OC[C@H](OC(C)C)c1ccccc1 795529561 LGFNJSXFAJZEJW-KRWDZBQOSA-N 288.387 3.890 30 20 CHED C[C@@H]1CCC[C@@H](CCOC(=O)c2ccc(C#N)o2)C1 796148828 SNDIJUHEZWJUPH-NEPJUHHUSA-N 261.321 3.524 30 20 CHED Cc1ccc(C[C@@H](OC(=O)c2ccc(C#N)o2)C2CC2)cc1 796927197 IRAOLWGTWCLGRH-QGZVFWFLSA-N 295.338 3.638 30 20 CHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1ccc(OC(F)F)cc1 797037300 PRGQYSXIMOCLNX-BMIGLBTASA-N 297.301 3.832 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)no1 798230270 METOKFRVSIRZBT-QPJJXVBHSA-N 293.269 3.523 30 20 CHED C=CCN(Cc1ccc(-c2cnn(C)c2)s1)C(C)C 802638863 XCXDPHICVCTXCV-UHFFFAOYSA-N 275.421 3.545 30 20 CHED N#CCCCCCC(=O)OCc1cc(Cl)ccc1F 805696534 DNUAXJZUJIXUSN-UHFFFAOYSA-N 283.730 3.996 30 20 CHED CCCCCCCCNC(=O)Nc1cc2n(n1)CCCC2 806719982 IGQHVEVAIUSGRX-UHFFFAOYSA-N 292.427 3.701 30 20 CHED C#Cc1ccc(CN(C)Cc2cc(F)c(F)c(F)c2)cc1 809631718 BQJWLZHCGMSNHJ-UHFFFAOYSA-N 289.300 3.717 30 20 CHED C#C[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(Cl)cc1F 809699558 SZBWZHVTHPFBBX-QCZZGDTMSA-N 251.732 3.542 30 20 CHED Cc1ncccc1COC(=O)C[C@@H](CC#N)c1ccccc1 810882289 JYUZXBBIQHGTLT-MRXNPFEDSA-N 294.354 3.521 30 20 CHED CC(=NNC[C@@H]1CCSC1)[C@H](C)c1ccccc1 811660183 IMGBHUUYZFZBPH-JSGCOSHPSA-N 262.422 3.509 30 20 CHED N#Cc1cc(Cl)ccc1COC(=O)CCCC1CC1 812600764 XAQXEKXKHMNQGR-UHFFFAOYSA-N 277.751 3.835 30 20 CHED CC#CCCOC(=O)[C@@H](C)c1cccc(Br)c1 812608996 WZENPCIVHSFAKA-NSHDSACASA-N 295.176 3.509 30 20 CHED Clc1cccc(NN=Cc2ncc(Cl)s2)c1 814693387 MYJJEDHZFVOFFU-UHFFFAOYSA-N 272.160 3.896 30 20 CHED Oc1ccc2c(c1)CCC2=NNc1ccc(F)c(F)c1F 814945672 KUWHTBPLCJAJIG-UHFFFAOYSA-N 292.260 3.572 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccc(Cl)cn1 814945805 QRPPMINMHLUJDM-UHFFFAOYSA-N 299.683 3.988 30 20 CHED CN(CCC#N)c1ccc(CNC[C@@H]2CCCC2(C)C)cc1 815163762 QWJKDTKUCYGILI-KRWDZBQOSA-N 299.462 3.952 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)C(=O)c1ccc(CC)cc1 815312238 PIEJERVNBSJOQN-NSHDSACASA-N 296.313 3.575 30 20 CHED C[C@@H](NN=Cc1ccc(OCC2CC2)cc1)c1ccncc1 819817143 WLYZMTFEBJIHIL-CQSZACIVSA-N 295.386 3.555 30 20 CHED CSCCCC=NNc1cc(Cl)nc(Cl)c1 819828654 LQFKBUGTWNJMPU-UHFFFAOYSA-N 278.208 3.929 30 20 CHED C#C[C@@H](NC(=O)N(C)C1CCCCCC1)c1ccccc1 820606349 WRPDZDHIWOCNRD-QGZVFWFLSA-N 284.403 3.725 30 20 CHED C#CC[C@H](NC1CCC(C)(C#N)CC1)c1ccccc1 824037541 RWKJAKUHAKCYGQ-ADKAHSJRSA-N 266.388 3.813 30 20 CHED COCc1ccc(NC2CCC(C)(C#N)CC2)cc1 824296784 KNQHEKMTXUFKPO-UHFFFAOYSA-N 258.365 3.717 30 20 CHED CC[C@@H](CNCc1cc(C#N)ccc1F)c1ccccc1 825123244 IYCUUJIPIDRDMW-HNNXBMFYSA-N 282.362 3.981 30 20 CHED C=CCC1(C(=O)NCc2cc(F)cnc2Cl)CCCC1 833349919 LKPUKBZNGCXFIB-UHFFFAOYSA-N 296.773 3.627 30 20 CHED Cn1c(Cl)cnc1/C=C\C(=O)c1cccc(C2CC2)c1 834444897 WDKYLLLRSRZRLO-FPLPWBNLSA-N 286.762 3.847 30 20 CHED C#CCO[C@@H](C)c1nc(-c2ccc(C(C)C)cc2)no1 834491917 IVZHMEIPIRRLCA-LBPRGKRZSA-N 270.332 3.571 30 20 CHED C#Cc1cccc(CN[C@H]2CCCOc3cc(F)ccc32)c1 834903772 RJWFPIHXJDPIHI-SFHVURJKSA-N 295.357 3.811 30 20 CHED C#CCCCCCC=NNc1nc(-c2ccccc2)no1 834952413 RDXVEJVUEQYCQG-UHFFFAOYSA-N 282.347 3.718 30 20 CHED CC(CCCc1cccnc1)=NNc1cc(Cl)ccn1 834969337 GKDOUWDURFGXAD-UHFFFAOYSA-N 288.782 3.941 30 20 CHED N#CCCCCCC(=O)OCC1CCC(F)(F)CC1 837731144 ZEAKTPVYQLUYSB-UHFFFAOYSA-N 273.323 3.829 30 20 CHED Oc1cccc(/C=N\CC2(c3ccccc3)CCC2)c1O 839389274 NVYIXZVNHSNERN-UNOMPAQXSA-N 281.355 3.639 30 20 CHED CC1(C)CCC/C(=C\c2cnc(C(C)(C)C)nc2)C1=O 840715983 ICSLKVXFNQJKBO-UKTHLTGXSA-N 272.392 3.937 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C/c1cn(C)nc1C)CC2 843272302 JSEXKUBRYJPCFS-MDWZMJQESA-N 298.411 3.663 30 20 CHED C=C[C@H](C)ONC(=O)N[C@H](CCC)c1ccc(F)cc1F 845629736 XCISCPBFWRFVQB-IINYFYTJSA-N 298.333 3.611 30 20 CHED CC(CCC(C)(C)C)=NNc1ccc(CC(=O)O)cc1 848414014 HNIUMENLFVULJB-UHFFFAOYSA-N 276.380 3.928 30 20 CHED CC[C@H]1CCCCC1=NNc1ccc(CC(=O)O)cc1 848414119 JLVYVWQDSSUPSZ-ZDUSSCGKSA-N 274.364 3.682 30 20 CHED C[C@H]1C[C@H](C)CCC1=NNc1ccc(CC(=O)O)cc1 848414890 SZHQQFUOLGVZGE-NEPJUHHUSA-N 274.364 3.538 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)C2CC3(CC3)C2)n1 850874353 ZEOVTEQZWUIXAS-LLVKDONJSA-N 274.389 3.633 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC(C)(C)C1 851204951 BESBXVCFMPORAV-RYUDHWBXSA-N 251.370 3.684 30 20 CHED Cc1cccc(C)c1OCC(=O)O[C@H](C)CC(C)(C)C#N 851214187 ODFNYQJYBUAJAD-CQSZACIVSA-N 289.375 3.554 30 20 CHED C=C[C@H](OC(=O)[C@@H]1CCO[C@H](CC)C1)c1ccccc1 851451622 KCUJMMDROGRIGB-OAGGEKHMSA-N 274.360 3.662 30 20 CHED C#CCCCCNC(=O)N1CCc2ccc(C(C)C)cc2C1 852201494 FSSJYDUQZMTBGV-UHFFFAOYSA-N 298.430 3.681 30 20 CHED CON(C(=O)c1cc(C#N)oc1C)[C@@H](C)c1ccccc1C 854523202 YHFKXAGQVCFICW-LBPRGKRZSA-N 298.342 3.533 30 20 CHED C=C[C@](C)(O)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 854752132 ONSQYACZGUUEDO-HNNXBMFYSA-N 297.395 3.592 30 20 CHED CC[C@@H]1CC[C@@H](C)CC1=NNc1ncc(Cl)cn1 857220644 LBWJTWGTZYUJBU-NXEZZACHSA-N 266.776 3.744 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cc(C)ccc1Cl 860456455 YZYTZGGIIZWJCT-UHFFFAOYSA-N 265.740 3.884 30 20 CHED CC(C)SCOc1cc(Br)ccc1C#N 863345578 CJOXSKFAVXLOMO-UHFFFAOYSA-N 286.194 3.799 30 20 CHED N#Cc1cccc(Br)c1S[C@H]1CCCOC1 865666243 DJFUPGDWRZEPBA-JTQLQIEISA-N 298.205 3.592 30 20 CHED CC(=NNc1cnccn1)c1ccc(C2CCC2)cc1 872341299 MGIAVHCTFIFDGF-UHFFFAOYSA-N 266.348 3.580 30 20 CHED CCCCCCCNC(=O)N1CCC[C@@H]1c1ccccn1 875765563 SBYQGWOUWQMGTH-MRXNPFEDSA-N 289.423 3.899 30 20 CHED Cc1cc(Cl)cc(/C=C/C(=O)c2cn(C(C)C)nn2)c1 901526350 AFFXUZBZURUKMM-SNAWJCMRSA-N 289.766 3.717 30 20 CHED C=C(C)C[C@H](NCCc1ccc(C(C)(C)C)cc1)C(=O)O 901679396 NJRCPCBUZJZYGO-INIZCTEOSA-N 289.419 3.536 30 20 CHED CC[C@H](NCCc1sc(C)nc1C)c1cccc(C#N)c1 902797055 SOJRNMLRLBWJID-INIZCTEOSA-N 299.443 3.915 30 20 CHED N#CCC[C@H](C#N)CSc1nc2cc(F)ccc2s1 905980762 FAQQSWKHYOAMEN-SECBINFHSA-N 291.376 3.971 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccsc1C#N 906710386 NLWGIDQMGRNRHN-JSGCOSHPSA-N 296.395 3.638 30 20 CHED Cc1ccc(C=NNCc2ccc(F)c(F)c2)c(C)c1 915975405 USLHKJXTRZIZGW-UHFFFAOYSA-N 274.314 3.705 30 20 CHED CC1CCC(=NNCc2ccc(F)c(F)c2)CC1 915976879 SCSUKCVSQRQHAU-UHFFFAOYSA-N 252.308 3.621 30 20 CHED C[C@H](CCc1ccccc1)OC(=O)c1ccc(C#N)cc1 918851468 KXIZHEJTXXKAAF-CQSZACIVSA-N 279.339 3.736 30 20 CHED Cc1ccc([C@@H](C)/N=C/c2cccc(O)c2O)s1 920174743 PAYBKNSUPISIAJ-XBLUXWHVSA-N 261.346 3.648 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCCOCCc1ccccc1 924715068 FCFSYZYBNVBSRB-INIZCTEOSA-N 288.435 3.554 30 20 CHED CCS[C@@H]1CCC[C@H](N[C@@H](C)CC(C)(C)C#N)C1 925218698 OALIXSXFOYRVHR-MELADBBJSA-N 268.470 3.969 30 20 CHED N#Cc1ccsc1NC(=O)NC1CC(c2ccccc2)C1 931839338 MEXIJKGTNKKSIO-UHFFFAOYSA-N 297.383 3.687 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C/c1cc(Cl)cc(Cl)c1 1116688237 KKXFNOGYXNAIMO-PCAWENJQSA-N 284.142 3.852 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1cccc(C#N)c1 1124203426 FEOCPLAZYANFEP-DZGCQCFKSA-N 256.349 3.713 30 20 CHED CC(C)(CNc1ncc(C#N)cc1Cl)C1CCC1 1163319800 NURPYVLBYHMYPJ-UHFFFAOYSA-N 263.772 3.845 30 20 CHED Cc1nc(C#N)cc(N[C@H](c2ccccc2)C2CCC2)n1 1185290543 JCJRVTSMONPXFN-QGZVFWFLSA-N 278.359 3.610 30 20 CHED CC(C)(F)CCNc1nc(C(C)(C)C)ccc1C#N 1186973400 GXPFDKWXRKOXAW-UHFFFAOYSA-N 263.360 3.801 30 20 CHED CCC[C@@H](CN(CCC)Cc1ccc(C#N)cc1)OC 1204803830 SADPDKWSRRCLFH-KRWDZBQOSA-N 274.408 3.585 30 20 CHED C#Cc1cccc(CNCc2ccccc2N2CCCC2)c1 1261256655 PENYLBQUFVGGPU-UHFFFAOYSA-N 290.410 3.558 30 20 CHED CC(C)C#CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 1261667102 LIOLRLCRATWIHR-OAHLLOKOSA-N 275.779 3.663 30 20 CHED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@@H]2F)cc1 1264522212 ZIRZOIQJDVXOCU-ZACQAIPSSA-N 294.329 3.639 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1265620520 MPIFOOHRLGUDTI-ZDUSSCGKSA-N 290.322 3.656 30 20 CHED CC(Cc1ccsc1)=NNCc1ccc(F)cc1 1319277922 KRMLGNJYMDHPMJ-UHFFFAOYSA-N 262.353 3.595 30 20 CHED CCOc1cccc(C=NOC(C)(C)C)c1OC(F)F 1319805742 XENAQCUOPNPYAU-UHFFFAOYSA-N 287.306 3.836 30 20 CHED CCCc1cccc(CNCc2cccc(OCC#N)c2)c1 1320527230 PBJBCWDNARSKQA-UHFFFAOYSA-N 294.398 3.831 30 20 CHED C#CCOc1ccc([C@H](C)Nc2ccc(C)nc2C)cc1 1320675435 MZVCJYCALVXEOM-AWEZNQCLSA-N 280.371 3.884 30 20 CHED O=C(CC#Cc1ccccc1)Nc1cccc2cc[nH]c12 1320732117 UNIYRFIKZQUGLG-UHFFFAOYSA-N 274.323 3.548 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1ccc(-c2cccs2)s1 1320886762 UGQUFAYQNGWDLJ-SNVBAGLBSA-N 290.413 3.851 30 20 CHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1cccc(OCC#N)c1 1323396965 NXXDXBGQORYXDB-HALDLXJZSA-N 272.392 3.503 30 20 CHED C[C@@H]1CC(=NNc2ccccc2Cl)CC[C@H]1C(=O)O 1324915285 WVNIZUGBCXVUEQ-MWLCHTKSSA-N 280.755 3.629 30 20 CHED N#CCc1ccc(CSCc2cn3ccccc3n2)cc1 1326046168 JWZRDHBYPNYXCI-UHFFFAOYSA-N 293.395 3.834 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1ccc(C(=O)O)o1 1326527170 OMMHLPRBURPZEG-UHFFFAOYSA-N 292.722 3.776 30 20 CHED CC(C)(C)n1cc(CSCc2ccc(C#N)cc2)cn1 1328039340 NSWNVXJVPSUCQC-UHFFFAOYSA-N 285.416 3.943 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1331720179 PTBLVCRXVKICPK-GWCFXTLKSA-N 290.234 3.631 30 20 CHED C=C[C@H](CC)CC(=O)NCCc1nc(C(C)(C)C)cs1 1336786071 WQLSVKIQJZQYPQ-GFCCVEGCSA-N 294.464 3.702 30 20 CHED C=C(C)CCC(=O)N[C@H](C)c1cc(C)ccc1OC 1337504322 WGMLHPNGDHZYQR-CYBMUJFWSA-N 261.365 3.537 30 20 CHED C=C[C@H](COC)NC(=O)Nc1ccc(CCC(C)C)cc1 1342734141 SFSOOOFVIRANOF-OAHLLOKOSA-N 290.407 3.598 30 20 CHED N#Cc1cc(C(=O)NC2(Cc3ccccc3)CCC2)cs1 1344112683 XICLHMGDCRBWBL-UHFFFAOYSA-N 296.395 3.515 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)O[C@H](C)C(C)(C)C#N 1345132866 RVANQQDGSKRLII-CHWSQXEVSA-N 259.349 3.580 30 20 CHED C/C(=C\c1nnc(COc2ccc(C#N)cc2)o1)C(C)(C)C 1345655373 GSTOZNRLQCDHFK-FMIVXFBMSA-N 297.358 3.970 30 20 CHED C=CC(C)(C)CC(=O)OCc1cc(COC)cs1 1346451901 ZRNXAKQIQWNYQV-UHFFFAOYSA-N 268.378 3.540 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)NCCC1(CSC)CC1 1357602367 OYDYULYCQUNDHJ-CQSZACIVSA-N 296.480 3.660 30 20 CHED N#Cc1ccc(F)c(NC(=O)CCCc2ccccc2)c1 1436642867 JWOCLTGHVCRIRP-UHFFFAOYSA-N 282.318 3.659 30 20 CHED C=C(Br)CN1CCCc2cc(F)c(F)cc21 1459692142 UMHUHAAQGOAOKJ-UHFFFAOYSA-N 288.135 3.626 30 20 CHED CCc1ccc2c(c1)CCN2CCOc1cccc(C#N)c1 1460927282 BXGFSOAHTBBDPT-UHFFFAOYSA-N 292.382 3.562 30 20 CHED Cn1c(-c2ccccc2)cnc1Sc1ccnc(C#N)c1 1472642307 NFXBHDAQQRBRMM-UHFFFAOYSA-N 292.367 3.505 30 20 CHED C[C@H](CCNc1ncc(C#N)cc1F)CC(C)(C)C 1472758361 NBBPMBJZAZNVIE-LLVKDONJSA-N 263.360 3.967 30 20 CHED CCc1nc(C#N)cc(NCc2ccc3sccc3c2)n1 1472799130 JWXXVTKPNLRUDT-UHFFFAOYSA-N 294.383 3.737 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc2ccncc2c1 1514860811 ZZNPLTFKPXBWKU-KRWDZBQOSA-N 280.371 3.806 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H](C)c1ccccc1 1525888344 FOPXIZVEROIZRR-LBPRGKRZSA-N 292.338 3.503 30 20 CHED CCc1ccsc1C(=O)Nc1cc(C#N)ccc1F 1528040213 DJACKSFMHXCCNG-UHFFFAOYSA-N 274.320 3.574 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)C1(c2cccc(C#N)c2)CC1 1530247537 YJFBVWSLQALAMY-KEYYUXOJSA-N 297.398 3.958 30 20 CHED CCC[C@@H](NC(=O)c1ccc(C#N)cc1F)C(C)(C)C 1533358571 QIONGMMMSYIZQH-CQSZACIVSA-N 276.355 3.642 30 20 CHED N#Cc1cc(C(=O)Nc2cscc2Cl)cs1 1537302456 KILRQKHAIKJGEQ-UHFFFAOYSA-N 268.750 3.587 30 20 CHED CCC(CC)CN(CCC#N)C[C@@H](O)c1cccc(C)c1 1559578774 SFDDOTSQOWHNNA-GOSISDBHSA-N 288.435 3.680 30 20 CHED C=C(Br)CN(C)c1ccc(F)c(Cl)c1 1559699716 BOHGETQWASXJMW-UHFFFAOYSA-N 278.552 3.824 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C(=O)O)oc1C 1588798395 DCKCKFLIZPXVRV-UHFFFAOYSA-N 293.363 3.543 30 20 CHED CCC1CCC(NCCCCC(C)(C)C#N)(C(=O)O)CC1 1605157518 KONVTIWAJVJJNC-UHFFFAOYSA-N 294.439 3.720 30 20 CHED CC(C)[C@H]1CCc2ccccc2[C@H]1Nc1cncc(C#N)n1 1612231162 IBCGGARXLFONIY-QAPCUYQASA-N 292.386 3.720 30 20 CHED C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(C#N)cc1 1622711728 CBVWZVJUUFCPKD-BLLLJJGKSA-N 271.364 3.649 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1CCC[C@@H]1CC 1627312510 ALRNWSWQMQWAJQ-HOTGVXAUSA-N 278.440 3.991 30 20 CHED N#Cc1c[nH]ccc1=N[C@H](C1CCCCC1)C1CCC1 1640075521 OAQDNKJRODIMLN-QGZVFWFLSA-N 269.392 3.536 30 20 CHED Cc1cc(C#N)nc(Sc2ccc(Cl)c(F)c2)n1 1651218968 FLYHUIFHOKDPFA-UHFFFAOYSA-N 279.727 3.600 30 20 CHED CC[C@H](NCc1cc(C#N)ccc1F)[C@H]1CC1(C)C 1653107352 QJEBRHUZNPBQEM-HIFRSBDPSA-N 260.356 3.612 30 20 CHED CCCC[C@H](CCC)CNc1cc(C#N)nc(C)n1 1655250976 WMWCLYQPEWVJSX-ZDUSSCGKSA-N 260.385 3.675 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2nc(-c3ccccc3)cs2)C1 1659929367 KVZNQSIGQRTUHQ-HIFRSBDPSA-N 297.427 3.982 30 20 CHED C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@@H]1C 1690329398 WKFISIBMIZYENN-WZRBSPASSA-N 296.846 3.779 30 20 CHED O=C(O)c1ccccc1NN=CCC[C@H]1C[C@H]2CC[C@H]1C2 1776030557 PFKOFZHLCSRHBV-RDBSUJKOSA-N 286.375 3.999 30 20 CHED CC1(F)CCC(=NNc2ccc(F)c(C(=O)O)c2)CC1 1776064230 DPFBNMJCENEDFZ-UHFFFAOYSA-N 282.290 3.594 30 20 CHED O=C(O)c1cccc(C=NNc2ccc(F)c(Cl)c2)c1 1776097881 IHDFGOAREAZNKW-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(Cc2cc(C)ccc2C)C1 1776160749 CUZFNMGASKECQU-SFHVURJKSA-N 287.403 3.546 30 20 CHED CCCCCCNC(=O)Nc1cc(C#N)ccc1C 58453727 FFTULHCERHSDOX-UHFFFAOYSA-N 259.353 3.569 30 20 CHED C[C@H](SCc1nc(C2CC2)no1)c1ccc(C#N)cc1 118444167 IVZUFUBUCWSCKF-JTQLQIEISA-N 285.372 3.813 30 20 CHED N#Cc1cc(NCc2ccc(OC(F)F)cc2)ccc1F 51635051 KEAMXISQTVFRBS-UHFFFAOYSA-N 292.260 3.911 30 20 CHED C=CCC[C@H](NC(=O)Nc1cnn(CC)c1)c1ccccc1 178824381 RUQDYOITOPULAT-INIZCTEOSA-N 298.390 3.732 30 20 CHED CN(Cc1cccc2ccccc12)c1ccc(C#N)cn1 52427161 INIBFGSQMBAWFS-UHFFFAOYSA-N 273.339 3.743 30 20 CHED C=C(C)CCOC(=O)Cc1c[nH]c2cc(C)ccc12 174806727 IGYJGVHGWOFQES-UHFFFAOYSA-N 257.333 3.528 30 20 CHED C=CCn1c(SCC)nnc1-c1cccc(Cl)c1 59794746 SCQNINGTITYUCQ-UHFFFAOYSA-N 279.796 3.897 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H](c1ccccc1)C1CCC1 116955396 KAGZAAUUFXCIKW-BBRMVZONSA-N 272.392 3.792 30 20 CHED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(C#N)cc1 67351058 RXDAONFCTMOKGS-JTQLQIEISA-N 282.734 3.651 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)CCc1cccs1 178551069 FEABUXHRLOSUPF-UHFFFAOYSA-N 299.399 3.635 30 20 CHED C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(C#N)c1 174194794 NCVGAZGXGLUUFG-AWEZNQCLSA-N 294.354 3.602 30 20 CHED C=C(C)CCOC(=O)c1csc(-c2ccc(C)o2)n1 174804358 WJAMRCUSAAUKHA-UHFFFAOYSA-N 277.345 3.835 30 20 CHED CCOc1cc(C)ccc1CNc1ccc(C#N)cc1 301600994 IZOJNNDIMXGVNL-UHFFFAOYSA-N 266.344 3.878 30 20 CHED CCCCOc1cccc(CNc2cccc(C#N)n2)c1 301270270 JNWFUYUQNYOQEY-UHFFFAOYSA-N 281.359 3.744 30 20 CHED C=CCN(CC=C)C(=O)c1ccnc(SC(C)(C)C)c1 179872016 ZKKGTOQZJISCOO-UHFFFAOYSA-N 290.432 3.786 30 20 CHED C[C@@H]1CCCC[C@@H]1C/N=C(/O)C[C@H]1CCCC(O)=N1 329677905 WUACOIIYOUJKDN-JHJVBQTASA-N 266.385 3.668 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCCCCC#N)C1 172374970 IMPVCBZOGYBFLT-HZPDHXFCSA-N 299.418 3.576 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)CCC2CC2)cc1 115022742 MFWSNCSYFTWERY-UHFFFAOYSA-N 256.349 3.616 30 20 CHED C=CCN(CCCCCn1cccn1)Cc1ccccc1 68457699 NSKCBBHPYPUVQH-UHFFFAOYSA-N 283.419 3.742 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)[C@]1(C#N)C[C@H]1C 410452632 WOXYYEPZHFCHDY-OTYXRUKQSA-N 294.807 3.940 30 20 CHED C/C=C/C=C/C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 68457333 IEMAJBRYCFLBAS-XRCCYUMASA-N 295.169 3.807 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C1(C#N)CCCCC1 115139136 MBNDGDDXLXMPRV-WBVHZDCISA-N 296.414 3.865 30 20 CHED N#Cc1ccc(COc2ccc(N3CCCC3)cc2)c(F)c1 178197353 IJUIQIVRRAFXQU-UHFFFAOYSA-N 296.345 3.877 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 116971316 ZXBIOJSIGTUESP-NVXWUHKLSA-N 286.419 3.676 30 20 CHED CCn1cc([C@H](C)Nc2ccc(C#N)c(Cl)c2)cn1 44495815 DDCPORXOKYOMQR-JTQLQIEISA-N 274.755 3.601 30 20 CHED C=C(C)CCc1noc(C(C)(C)c2ccccc2OC)n1 508679191 MCZVRPAEAXQYAU-UHFFFAOYSA-N 286.375 3.913 30 20 CHED CC[C@@H](C#N)Oc1cccc(CNCc2cccs2)c1 113961783 SMUCKCBNNOUNAD-AWEZNQCLSA-N 286.400 3.719 30 20 CHED CC(C)(CCC#N)CN1CCO[C@@H](c2ccc(F)cc2)C1 179430846 KYBJEBTUFHFYAJ-MRXNPFEDSA-N 290.382 3.529 30 20 CHED CCCCCCCOC(=O)c1cccc(C[S@](C)=O)c1 126042639 BXPVAUTWKOFIRG-HXUWFJFHSA-N 296.432 3.692 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cc(F)cc(Cl)c2)C1 185737483 FCDGIIIZIWNGPS-BXKDBHETSA-N 252.720 3.973 30 20 CHED CC1(C)CCCN(CCSc2ccccc2)[C@@H]1C#N 444738372 SZHRXBXGLVEUEF-OAHLLOKOSA-N 274.433 3.793 30 20 CHED C=CCSCC(=O)Nc1cc(Cl)ccc1Cl 71530557 PVJASPJWIUAUCH-UHFFFAOYSA-N 276.188 3.851 30 20 CHED C[C@@H](NCCC1CC(F)(F)C1)c1cccc(C#N)c1 453413724 JBOSWZKOMXRNNZ-LLVKDONJSA-N 264.319 3.644 30 20 CHED CCC[C@@H](C(=O)Nc1ccccc1O[C@H](C)C#N)C(C)C 182059293 GFWLZCOSAHSRHQ-ZIAGYGMSSA-N 288.391 3.988 30 20 CHED CN(Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cn1 30524129 KWDSPCRGGXZKHY-UHFFFAOYSA-N 291.276 3.608 30 20 CHED N#Cc1ccc(OCCSc2nc3ccccc3[nH]2)cc1 34651341 YKCQGOPTJNCOJU-UHFFFAOYSA-N 295.367 3.606 30 20 CHED Cc1cccnc1[C@@H](NCc1ccc(F)cc1C#N)C(C)C 120890773 XKTGKYVLKXVEFC-KRWDZBQOSA-N 297.377 3.888 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H]2CC(C)C)cc1 500190610 ZSJUTAIYCJVRFA-MRXNPFEDSA-N 287.403 3.902 30 20 CHED C#CCCCCC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 120253154 DGWQOQJMTWJVSP-FZKQIMNGSA-N 287.378 3.759 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@H](C)C1 186706068 AZGJOYHTIMKQSU-LBPRGKRZSA-N 271.364 3.521 30 20 CHED CCC1(C)CCN(C(=O)Nc2cccc(C#N)c2)CC1 337959669 MFCDWSOSSIELBD-UHFFFAOYSA-N 271.364 3.602 30 20 CHED C=CCCC(=O)N[C@@H](CC)CSc1ccccc1 123196469 FEOFHQHCDFOFHB-ZDUSSCGKSA-N 263.406 3.640 30 20 CHED N#Cc1cccc(CN2C[C@@H]3CCC(=O)c4cccc2c43)c1 184789521 WEIUYNUWLVZGIO-HNNXBMFYSA-N 288.350 3.639 30 20 CHED C=CCN(CC=C)Cc1ncc(-c2ccccc2C)o1 75625477 KYXHULIOYZUTAR-UHFFFAOYSA-N 268.360 3.824 30 20 CHED CCCn1c(-c2cccc(OC)c2)nc2cc(C#N)ccc21 316620795 WOOQBCAJRHGHLR-UHFFFAOYSA-N 291.354 3.994 30 20 CHED C=CCOCCCC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 416287769 KGQVVLRKOYPFAM-LSDHHAIUSA-N 281.440 3.642 30 20 CHED Cc1cccc(NCc2ccc(N(C)CCC#N)cc2)c1 79752559 TZKJWDAUTMUMBH-UHFFFAOYSA-N 279.387 3.957 30 20 CHED C#CCOc1ccc([C@H](C)NCc2cccc(F)c2)cc1 124302545 IQTFQJUNDATALA-AWEZNQCLSA-N 283.346 3.689 30 20 CHED COCCC1(CNCc2ccc(C#N)s2)CCCCC1 185226652 QGGVTQFWGKUMFL-UHFFFAOYSA-N 292.448 3.696 30 20 CHED N#CCCN(CCC#N)Cc1csc2ccccc12 132815407 HGVDDLYLUYWTKO-UHFFFAOYSA-N 269.373 3.531 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1CCC(C(C)C)CC1 508497313 KSXUCIBUKPPQQG-CQSZACIVSA-N 290.455 3.850 30 20 CHED C=C(C)[C@@H](NCC[C@@H]1CCCN1C)c1ccc(F)c(F)c1 187773703 UBGVSQNANALHOA-WMLDXEAASA-N 294.389 3.656 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(OCC#N)cc1 180554912 QYSKFOZELPAFST-INIZCTEOSA-N 272.392 3.813 30 20 CHED C=CCCCCNC(=O)Cc1cccc(C2CC2)c1 412248320 AWPGOKGFGNMBEF-UHFFFAOYSA-N 257.377 3.579 30 20 CHED COc1ccc(/C=C2\CCc3sccc3C2=O)cc1C#N 132637330 CSOYAIKYQHNBGZ-XYOKQWHBSA-N 295.363 3.841 30 20 CHED CC(C)(C#N)c1ccccc1CN(CC#N)C1CCCC1 135244439 DYQSRFYPPAWJQT-UHFFFAOYSA-N 281.403 3.756 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCCn2ccc3ccccc32)C1 185880441 DOWKCETTYLMVFZ-NVXWUHKLSA-N 281.403 3.703 30 20 CHED Cc1ccccc1[C@@H]1C[C@H](C)N(CCCCC#N)C1 76388738 OPILUYLYSLHOAM-JKSUJKDBSA-N 256.393 3.867 30 20 CHED COc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1F 72079823 APIWIYBOTQDSBS-MDWZMJQESA-N 298.313 3.752 30 20 CHED CC(C)(CC#N)CN[C@@H](c1ccccc1)c1ccc(F)cn1 414165702 MJDPFTWCJBCMAW-KRWDZBQOSA-N 297.377 3.840 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC[C@@]2(C)CCCS2)n1 613429641 PQWNTSPDXXKFJY-MRXNPFEDSA-N 289.448 3.948 30 20 CHED C/C(O)=N/C1(c2noc([C@@H]3C[C@@H]3C3CC3)n2)CCCCC1 329446983 BTBKNWYSFOSHMZ-CHWSQXEVSA-N 289.379 3.719 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)[C@H]2CCC(=O)c3cccn32)C1 329835427 HLKDGPZUKYITNT-MBNYWOFBSA-N 274.364 3.541 30 20 CHED N#Cc1ccc(SCc2noc(-c3cccs3)n2)cc1 48511994 QDYTZFWCOJLEOI-UHFFFAOYSA-N 299.380 3.962 30 20 CHED C[C@@H](C(=O)Nc1ccc(C#N)cc1)c1c(F)cccc1F 133749613 XMNVTURHBZSWFT-SNVBAGLBSA-N 286.281 3.579 30 20 CHED CC(C)(C)c1ccc(C(=O)/C=C/c2csnn2)cc1 45745677 AILBBXQHSVJAME-CMDGGOBGSA-N 272.373 3.732 30 20 CHED C=C[C@](C)(CC)c1nc(COc2ccccc2)no1 191160395 STKBZXJKERCEJM-OAHLLOKOSA-N 258.321 3.502 30 20 CHED CCCC1(/C(O)=N/[C@@H]2CCC(O)=NC23CCC3)CC1 328735317 IXWBEKSYEKKBEP-LLVKDONJSA-N 264.369 3.565 30 20 CHED CCCCN(CC)C(=O)Nc1cc(C#N)ccc1OCC 193731124 VSFXCGNQMKNFCH-UHFFFAOYSA-N 289.379 3.611 30 20 CHED C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(C#N)cc1 45027072 FDBOOKVIQUKYOP-CQSZACIVSA-N 293.370 3.701 30 20 CHED C=CCSCCNC(=O)Nc1ccc2ccccc2c1 194595655 XDOMQBWAFRHBRK-UHFFFAOYSA-N 286.400 3.881 30 20 CHED CC[C@@H]1CCC[C@H](/N=C(/O)C[C@H]2CCCC(O)=N2)C1 329658545 NSIHZPBOKFRHTG-FRRDWIJNSA-N 266.385 3.811 30 20 CHED CC(=O)Nc1ccc(SCC#Cc2ccc(F)cc2)cc1 135263140 WILPIPJRCBXPEJ-UHFFFAOYSA-N 299.370 3.928 30 20 CHED C[C@@H]1CCN(CCOc2ccccc2C#N)[C@H]2CCCC[C@H]21 518372045 IHQUHSWLNBHVRL-NJAFHUGGSA-N 298.430 3.838 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CC[C@@H](C)c1ccccc1 132120530 PUDFUOKULKTRND-HUUCEWRRSA-N 272.392 3.578 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1ccsc1 194615111 WRCKMWUROWEGFQ-DUXPYHPUSA-N 250.269 3.922 30 20 CHED N#Cc1c(N=C(O)[C@@H]2CCCSC2)sc2c1CCC2 329604243 GTTDLEFZYSSSII-SECBINFHSA-N 292.429 3.840 30 20 CHED O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccccc1 199627014 MFIBPLLGADVERN-SREVYHEPSA-N 259.286 3.552 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)C[C@@H]2CCCC(O)=N2)CC1 329681144 YCSWEXXZOJCDML-AGIUHOORSA-N 266.385 3.811 30 20 CHED Cc1nc(N(C)[C@H](C)c2ccccn2)c(Cl)cc1C#N 292389587 DQHMXODJAYXOQM-LLVKDONJSA-N 286.766 3.508 30 20 CHED CC[C@H](C)n1ncc(N=C(O)N2[C@@H](C)CC[C@H]2CC)c1C 331120098 LXCVHUZVESKQTK-SGMGOOAPSA-N 292.427 3.971 30 20 CHED Cc1csc(NC(=O)c2ccc(Cl)s2)c1C#N 335136255 WYIDOPKUDUOJMG-UHFFFAOYSA-N 282.777 3.895 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H](C)CC1CCCC1 330626838 WHBWIFNPSWCERA-LBPRGKRZSA-N 285.391 3.755 30 20 CHED C=CC[C@@H](C(=O)N1CCSC(C)(C)C1)c1ccccc1 190160388 BBYWVKUUAHKWAQ-OAHLLOKOSA-N 289.444 3.700 30 20 CHED CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCC(C)(C)CCC#N 513113094 JIYKHRNJPDWJJO-CABCVRRESA-N 293.455 3.927 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2cccc(OC(F)F)c2)C1 193077133 ADILVVSXHSOYAW-GHMZBOCLSA-N 266.291 3.782 30 20 CHED N=C(O)N1CCc2ccc(N=C(O)[C@H]3CC34CCCC4)cc21 330310159 NEWRZLFYHXPDEQ-CYBMUJFWSA-N 299.374 3.710 30 20 CHED N#CCc1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 337622779 HKJFMZVKQZOABB-UHFFFAOYSA-N 299.761 3.728 30 20 CHED N#CCSCCCN[C@@H](CC(F)F)c1ccccc1 420990846 GUIYVMVBZDSUFT-ZDUSSCGKSA-N 284.375 3.619 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(O)c(C)c2)no1 515029718 OZGOOCIMBFUVRI-UHFFFAOYSA-N 258.321 3.604 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](C)C[C@H]2C)cc1 92762360 MRCHXLTYQBAJTN-KFWWJZLASA-N 272.392 3.598 30 20 CHED Cc1cncc(/C(O)=N/C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 330916468 KXOSZCOQTRLYLS-ZFWWWQNUSA-N 290.407 3.536 30 20 CHED CSc1c(F)cccc1C(=O)Nc1ccc(C#N)cc1 335874784 VJTZBZAUVGAEBF-UHFFFAOYSA-N 286.331 3.672 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1coc2ccccc12 424674008 ZVUUEXCUWJDPLU-UHFFFAOYSA-N 257.333 3.651 30 20 CHED CC(C)(C)Oc1ccc(CNc2ncccc2C#N)cc1 140029796 JHTMUUPCKIKRQV-UHFFFAOYSA-N 281.359 3.743 30 20 CHED Cc1cc(C)c(C(=O)N(CCC#N)c2ccc(F)cc2)o1 519798183 KGHSZSGPJNUIQD-UHFFFAOYSA-N 286.306 3.596 30 20 CHED C[C@@H](NCc1ccc2c(n1)CCCC2)c1ccc(C#N)cc1 435884889 YFQKTGAJISQJQP-CQSZACIVSA-N 291.398 3.683 30 20 CHED CC1(C)CCC[C@@H](c2noc(-c3ccc(C#N)nc3)n2)C1 339499240 NKOXTLJCKGOVJB-LLVKDONJSA-N 282.347 3.687 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)C[C@@H](C)CC 516879398 HXIOXLTUAQHKLC-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED CC(C)[C@H](C(=O)Nc1ccc(CC#N)cc1)c1cccnc1 436078717 BDQGFHJBKDYGKU-KRWDZBQOSA-N 293.370 3.526 30 20 CHED C=CCCN(C)C(=O)N[C@@H](CC)c1ccc(C)cc1 342349856 BOIQOCVUSMYIGQ-HNNXBMFYSA-N 260.381 3.664 30 20 CHED CC(C)CN1CCC[C@H](CN[C@H](C)c2cccc(C#N)c2)C1 245925315 RKUVWSGFKMCAHW-SJLPKXTDSA-N 299.462 3.577 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2cccnc2)C1 248882115 LAKAIGKNYIYZHG-MNEFBYGVSA-N 291.398 3.843 30 20 CHED C=C[C@@H](CC(=O)N(C)c1ccc(C#N)cc1)c1ccccc1 340416417 MXRWWZIJXIMKGJ-INIZCTEOSA-N 290.366 3.881 30 20 CHED C=CCC[C@@H](NCCOC)c1ccc(C(F)(F)F)cc1 342188142 CPLITNKXVWIDEM-CQSZACIVSA-N 287.325 3.949 30 20 CHED Cc1ccc(C#N)c(N2CC[C@@H](c3ccccc3C)C2)n1 346854024 TZMMJPLVFKVYSW-MRXNPFEDSA-N 277.371 3.564 30 20 CHED C[C@H](C#N)C(=O)Nc1cccc(COC2CCCCC2)c1 347045018 YRDOBCWQKXHXCU-CYBMUJFWSA-N 286.375 3.634 30 20 CHED COc1cc(C#N)ccc1CN1CCc2sccc2[C@@H]1C 347262442 DHHLEFPNHJUBDI-LBPRGKRZSA-N 298.411 3.748 30 20 CHED C=CCCN(C)Cc1ncc(-c2ccccc2)s1 342761431 DVCLPMIVXOJNPD-UHFFFAOYSA-N 258.390 3.818 30 20 CHED Cc1cc(-c2ccc(Cl)cc2)n(C[C@H](C)C#N)n1 601933999 WFRYBJVKYKQRAE-SNVBAGLBSA-N 259.740 3.672 30 20 CHED CC(C)(C)CC(=O)COc1ccc(C#N)cc1Cl 343837336 WKAODSJPQLUWAS-UHFFFAOYSA-N 265.740 3.596 30 20 CHED C=CCOc1cccc(NC(=O)[C@@H](C)C(C)(C)C)c1 522335976 IHQJYUVTTUJPRV-GFCCVEGCSA-N 261.365 3.872 30 20 CHED Cn1cc(/C=C2\CCc3ccccc3C2=O)c(C(C)(C)C)n1 255629698 UXPZCANKXQNYTM-SDNWHVSQSA-N 294.398 3.930 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccccc2)cc1 255024287 JBASLYOTKWQXRJ-QXMHVHEDSA-N 252.313 3.729 30 20 CHED C[C@H]1CC=CC[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C 340888061 PHRNHDCMYIZRHQ-GXTWGEPZSA-N 285.391 3.656 30 20 CHED CC(C)[C@H](CC1CCCC1)C(=O)NCCCCC#N 522515972 UVDFLSJPBSFGQF-HNNXBMFYSA-N 264.413 3.649 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC(C)(C)C 342460801 LRAXCMSRLSUYNT-UHFFFAOYSA-N 291.439 3.805 30 20 CHED COc1ccc2c(c1)C[C@H](C)N(CC1(CC#N)CC1)[C@@H]2C 602807263 WLZVHVDHSAHGEW-UONOGXRCSA-N 284.403 3.697 30 20 CHED CC[C@@H]1c2ccsc2CCN1C[C@H](C)CCC#N 602445043 MOVMRAPYMNASSI-TZMCWYRMSA-N 262.422 3.997 30 20 CHED CC(C)C[C@H]1C[C@H](NC2CCC(C)(C#N)CC2)CCO1 449253331 SLYYITKCDWVLNH-GMRIPVOYSA-N 278.440 3.642 30 20 CHED Cc1cccc(-c2nsc(N3CCC[C@H](CC#N)C3)n2)c1 601191780 QKEFOZGAFDVHQM-CYBMUJFWSA-N 298.415 3.644 30 20 CHED COc1cc(/C=C\C(=O)c2ccco2)ccc1SC 255143768 XUCJDNAOSSZUBG-ALCCZGGFSA-N 274.341 3.906 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CC12CCCCC2 357201425 CRWYJBBKQHJZRX-HNNXBMFYSA-N 276.424 3.745 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@]1(C)C(C)C 354098333 WFTIWDRYXIPHKC-GUYCJALGSA-N 285.391 3.611 30 20 CHED CCCCCC(=O)Nc1cc(C#N)ccc1NC1CC1 355390553 JFHSXIADGFEPRG-UHFFFAOYSA-N 271.364 3.651 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(CNc2ccc(C#N)cc2)n1 356580931 QAKGELDWUFRYNQ-DOMZBBRYSA-N 296.374 3.847 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(SCC)cc1 539296478 BIMJVFYAEXGBMG-KGLIPLIRSA-N 279.449 3.634 30 20 CHED N#Cc1ccccc1NC(=O)Cc1cccc(C(F)F)c1 448099552 SMOLGLAUIHYLOX-UHFFFAOYSA-N 286.281 3.677 30 20 CHED C=CCCC1(C(=O)NCc2ccc(Cl)cc2OC)CC1 355807544 DGIZGGJEQAGDLI-UHFFFAOYSA-N 293.794 3.711 30 20 CHED C=C(CC)CN[C@H](C)c1nc2c(s1)CCCC2 355277780 JXBOBOMZBNUQAI-LLVKDONJSA-N 250.411 3.639 30 20 CHED C#CCOc1ccc([C@@H](C)NCCCC(F)(F)F)cc1 269020401 ZXURHNMIIGOSEG-GFCCVEGCSA-N 285.309 3.692 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc2c(c1)CCC2 355213730 RIMVLLABIRLWLN-UHFFFAOYSA-N 298.430 3.967 30 20 CHED C[C@@H](N[C@H](C#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 610242370 QPTDYUHQAHIBKG-MLGOLLRUSA-N 281.315 3.510 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3ccsc3[nH]2)C1 617787613 SLWYDRYNEGFCEY-NSHDSACASA-N 274.389 3.658 30 20 CHED C=C(CC)CS[C@@H](C)c1ccc(S(C)(=O)=O)cc1 443142088 OFUSCOOLNWICKG-LBPRGKRZSA-N 284.446 3.851 30 20 CHED C[C@H](COc1cccc(F)c1)NC1CCC(C)(C#N)CC1 449083516 BXYYFKXBNHOXFZ-BZOOQXSSSA-N 290.382 3.655 30 20 CHED C=CCn1c(C)nnc1N1CCCC2(CCCCC2)CC1 350622669 DFGJDALFJKDBAP-UHFFFAOYSA-N 288.439 3.713 30 20 CHED C=C(CC)CN(CCC)[C@@H](C)C(=O)Nc1ccccc1 536904696 KPWYYECQCVMWTB-HNNXBMFYSA-N 274.408 3.692 30 20 CHED C[C@@H]1c2ccccc2CCN1CCOc1cccc(C#N)c1 530902530 XFQNOVLQJAHSOO-OAHLLOKOSA-N 292.382 3.556 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC2(CCC2)[C@@H]1C(C)C 359192372 UZQDOLPKRXERMR-INIZCTEOSA-N 282.387 3.517 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)O1 352544600 BGWFZLSWLOHXPN-HOTGVXAUSA-N 287.403 3.625 30 20 CHED CC(C)[C@H](C#N)NC(=O)Cc1ccc(-c2ccccc2)cc1 264662826 WADVWKIMKOGQRE-SFHVURJKSA-N 292.382 3.560 30 20 CHED CC[C@@]1(C)CCCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 353549737 OVAXZXFUPBVFMU-INIZCTEOSA-N 289.354 3.741 30 20 CHED C[C@@]1(C#N)CCCN([C@H]2CCc3c(Cl)cccc32)C1 612163114 OBTXORJSERBLSF-HOTGVXAUSA-N 274.795 3.953 30 20 CHED N#Cc1ccc(CNCC2CCCCC2)cc1Cl 619748944 TZTFFELMZIBZTB-UHFFFAOYSA-N 262.784 3.882 30 20 CHED CCc1ccccc1CCN(C)Cc1ccc(C#N)cc1 444588376 DYMFYZRVBBYSGX-UHFFFAOYSA-N 278.399 3.795 30 20 CHED C[C@H]1C[C@H](CNc2ccc(C#N)cc2C(F)(F)F)CCO1 356799453 TXXUCSYEPHWOER-CMPLNLGQSA-N 298.308 3.804 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)CCc1cccc(Cl)c1 535325652 LDFRLVHFHAFORM-INIZCTEOSA-N 292.810 3.717 30 20 CHED C=CCCNC(=O)[C@@H](C)c1ccccc1C(F)(F)F 617615917 BVRAKSZWTOQHFM-JTQLQIEISA-N 271.282 3.501 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2ccc(F)cc2C1 614403897 XZGWXSWHCUWQKK-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCN(C2CCCCC2)C1 538334273 SQQVHISVZTVPCJ-HZPDHXFCSA-N 292.467 3.502 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C 453310498 RIKHZPZJXNUUTJ-AWEZNQCLSA-N 298.434 3.747 30 20 CHED C[C@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC12CCCC2 533045455 KGJPWGDPZHLPOB-FUHWJXTLSA-N 296.414 3.598 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 614529157 SUPZTXGYPOWVCQ-IEBWSBKVSA-N 296.414 3.889 30 20 CHED C=C(CC)CNC(=O)C1(Cc2cccc(F)c2)CCC1 456813730 RICNJMSAXGNBKK-UHFFFAOYSA-N 275.367 3.621 30 20 CHED Cc1ccc(C#N)nc1NCc1cccc(Cl)c1 611398701 LKZBDUZWPAGLFW-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=CCC1(NC(=O)c2cc(C)n([C@@H](C)CC)n2)CCCC1 619110423 FKYZTHQNSFKOEA-ZDUSSCGKSA-N 289.423 3.781 30 20 CHED CCCCN(C(=O)c1cc(C#N)[nH]c1C)c1ccccc1 450118407 APUSCJWCYIKUJH-UHFFFAOYSA-N 281.359 3.642 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CCCC[C@H]1c1ccccc1 450621975 HTUHKPLGFZEGFI-KRWDZBQOSA-N 293.370 3.562 30 20 CHED CCC1(c2ccc(Cl)cc2)CCN(C(=O)CC#N)CC1 279974596 LBERPLBHDYKCQS-UHFFFAOYSA-N 290.794 3.524 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C 450118837 NUKGADSTXKRDGY-UHFFFAOYSA-N 299.374 3.758 30 20 CHED C=CCCCC(=O)N1[C@@H](C)C[C@H](CC(F)(F)F)[C@H]1C 452231857 MYIDMANTSFJCEF-QJPTWQEYSA-N 277.330 3.921 30 20 CHED C=CCC[C@@H](NC[C@H](C)Oc1ccccc1)C1CC1 540181839 JEFDHMUBENWIOW-WMLDXEAASA-N 259.393 3.788 30 20 CHED CCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1ccc(F)cc1 361550075 DBMHIVRIJJOVGY-CYBMUJFWSA-N 285.366 3.619 30 20 CHED C=CCC1(NC(=O)NC[C@H]2CCCSC2)CCCCC1 458779082 ZXBWTPFHZHZWFS-CQSZACIVSA-N 296.480 3.708 30 20 CHED C=CC[C@H](C(=O)NCCc1ccc(C)o1)c1ccccc1 547629939 IVKFXEKDTPTGIF-KRWDZBQOSA-N 283.371 3.607 30 20 CHED C=CCC1(NCCCCCn2cccn2)CCCCC1 625936144 BCHHWBWHLFEVES-UHFFFAOYSA-N 275.440 3.922 30 20 CHED C=CCN1CC[C@@H](Nc2cc(Cl)c(C)c(Cl)c2)C1=O 540809338 DWPJXRYVIFIAQY-CYBMUJFWSA-N 299.201 3.501 30 20 CHED C=CCCCCNC(=O)[C@@H](CC)Cc1ccccc1 546724038 LKSMOHSXEWMEJT-INIZCTEOSA-N 259.393 3.728 30 20 CHED C#CCCCC(=O)N(CCC)[C@@H]1CCc2ccccc21 276956612 CTCUTELUNSPBIN-QGZVFWFLSA-N 269.388 3.716 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2cccc(C)c2)CC1 457073581 HZXFXEKLZMODST-AWEZNQCLSA-N 257.377 3.919 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(-c2ccco2)cc1F 278652608 GAGDSJBLWXBDEB-UHFFFAOYSA-N 286.306 3.964 30 20 CHED C=CCOCCN1CCC(c2cccc(Cl)c2)CC1 549614581 HRYRDIHHMUGPIQ-UHFFFAOYSA-N 279.811 3.722 30 20 CHED N#CCC1CCN(C/C=C/c2ccc(F)cc2F)CC1 544597356 CANHSECVBOHBDN-OWOJBTEDSA-N 276.330 3.604 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OCC(F)F)cc1 467979884 WVJBBDQXRHXSKM-HNNXBMFYSA-N 283.318 3.871 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@](C)(CC)C1 540488660 XBQZFCSOWNEHDQ-DZGCQCFKSA-N 252.402 3.563 30 20 CHED CCc1ccc([C@H](C)C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1 464154716 XABFVPGTFNGNOY-UGSOOPFHSA-N 286.419 3.797 30 20 CHED CCCC[C@@H](CCC)CNC(=O)N1CCC(CC#N)CC1 543779736 IAVBUVQCILCKIV-MRXNPFEDSA-N 293.455 3.928 30 20 CHED C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 461910377 ZFCVAHLSZQUXHO-JKIFEVAISA-N 284.403 3.699 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CC(C)C)CC(C)(C)C 281278831 LSLHULWBKONDMS-UHFFFAOYSA-N 276.380 3.604 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(-c2cccnc2)ccc1C 375908486 BUADCKSNTTVAJQ-GOSISDBHSA-N 293.370 3.935 30 20 CHED CCCCCCCC(=O)N[C@@H]1CCCC12CCOCC2 374458399 ZTVFLVJYVKLGCN-OAHLLOKOSA-N 281.440 3.812 30 20 CHED COC[C@H](NCCC(C)(C)C#N)c1cccc(Cl)c1 288838669 OKTXYXRZXULNBT-AWEZNQCLSA-N 280.799 3.557 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OCC)c(OC)c1 281454302 TUKHTNWUPIZVRJ-GFCCVEGCSA-N 292.379 3.570 30 20 CHED C=CCC[C@H](NC[C@H]1CCSC1)c1ccco1 287303544 DQSLAHNTYGUAJE-OLZOCXBDSA-N 251.395 3.630 30 20 CHED COc1ccc([C@@H]2CCCN2c2snc(C)c2C#N)cc1 285521427 GPODRMLEWZRBEL-HNNXBMFYSA-N 299.399 3.673 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccccc1C(=O)OCC 467840839 XBLVCFVBXSKDQN-UHFFFAOYSA-N 287.359 3.570 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C)c(OC)c1C 466367789 ZNDDCIBYHCFOLL-ZDUSSCGKSA-N 276.380 3.788 30 20 CHED C=CCC(C)(C)c1noc(Cc2ccc(F)cc2)n1 551498354 XQJDPPFKAMEAHS-UHFFFAOYSA-N 260.312 3.653 30 20 CHED C=CCCN(C)C(=O)COc1cc(C)ccc1C(C)C 466629564 BLZGZAKFHWVEDI-UHFFFAOYSA-N 275.392 3.532 30 20 CHED Cc1cc(N(C)C2CCC2)n2c(nc3ccccc32)c1C#N 462102424 BLXJVMUCDBXBFL-UHFFFAOYSA-N 290.370 3.656 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OC(F)F)cc1 466385977 MHXCBAJZSUYABI-SNVBAGLBSA-N 284.306 3.764 30 20 CHED CC(C)c1cccc(N/C(N)=N/C[C@H]2CCCSC2)c1 287017376 GGIIIQATXLHAOD-CYBMUJFWSA-N 291.464 3.680 30 20 CHED C=CCN(C(=O)c1ccc(Oc2ccccc2)cn1)C1CC1 554606701 VBLXXDWHCRAVJH-UHFFFAOYSA-N 294.354 3.665 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(N2CCCC2)c(C)c1 294618083 YNLGYBRGUPTQHJ-UHFFFAOYSA-N 272.392 3.746 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCSc2ccc(F)cc21 294451630 OWXWBJVEGZPSIW-LBPRGKRZSA-N 279.380 3.691 30 20 CHED Cc1ccccc1[C@H](NC(=O)CCCC#N)C(C)C 291812420 ZPJRKXYLBCQDSL-MRXNPFEDSA-N 258.365 3.502 30 20 CHED COc1cc(C#N)ccc1NC(=O)c1cc2ccccc2o1 388343907 HPYCNRDULLGBTP-UHFFFAOYSA-N 292.294 3.565 30 20 CHED CCCC[C@H](C)C(=O)OCc1ccc(F)c(C#N)c1 800273789 JNTFRNAOHDTXMA-NSHDSACASA-N 263.312 3.567 30 20 CHED C=CCC1(C(=O)NCCC2Cc3ccccc3C2)CCC1 479385237 GCEUDWCUEJJFSR-UHFFFAOYSA-N 283.415 3.654 30 20 CHED C(=NNc1nccnc1C1CCC1)[C@H]1C[C@@H]1c1ccccc1 807991112 IYDOKIUAVJBGCE-HZPDHXFCSA-N 292.386 3.946 30 20 CHED C#C[C@@H](NC(=O)c1ccc(C)c(C)c1Cl)C(C)(C)C 807883257 JTMBUASDOVDXGM-CYBMUJFWSA-N 277.795 3.735 30 20 CHED C=C(C)COc1cccc(N[C@H](C)C2CCOCC2)c1 474388523 FCYAFURJQQIWST-CQSZACIVSA-N 275.392 3.869 30 20 CHED CC(C)Oc1cccc(CSCCO[C@@H](C)C#N)c1 802749437 CLFLACUZTSQZKK-ZDUSSCGKSA-N 279.405 3.636 30 20 CHED Cc1ccnc(N2C[C@H](C)C[C@H]2c2ccccc2)c1C#N 561446910 HIUAQVMBIJWJCB-DYVFJYSZSA-N 277.371 3.849 30 20 CHED CCC(=NN[C@H]1CCSC1)c1cccc(Cl)c1 808004033 CCINAOPZEDVIHP-LBPRGKRZSA-N 268.813 3.549 30 20 CHED CC(C)CCC(=NNC(=S)Nc1cccnc1)C1CC1 802704869 QKMXNNODIVVHRX-UHFFFAOYSA-N 290.436 3.570 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)c1cccc(C2CC2)c1 295097990 BLWMJAYTGYOJBQ-UONOGXRCSA-N 267.376 3.658 30 20 CHED C[C@H]1C[C@@H](NCc2ccc(OCC#N)cc2)c2ccccc21 808706016 WGXXRGDDCIWGJA-IFXJQAMLSA-N 292.382 3.927 30 20 CHED N#CC1(c2nc(-c3ccc4c(c3)CCC4)no2)CCCC1 290020369 FHNQEDGPONOQAJ-UHFFFAOYSA-N 279.343 3.561 30 20 CHED CC#CCN(C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 645262139 HKGWGWROOBTMOK-NSHDSACASA-N 271.282 3.601 30 20 CHED C#CCC(C)(C)c1nc([C@H](C)c2cccc(OC)c2)no1 809357809 JDZKXKHABJOGPG-GFCCVEGCSA-N 284.359 3.531 30 20 CHED C=CCn1c(C)nnc1S[C@H](C)c1ccc(F)cc1F 299082578 RTVDIUXGTSMHNK-SECBINFHSA-N 295.358 3.904 30 20 CHED CC(C)c1cnc(CSCCC(C)(C)C#N)o1 808368567 FYDKBNQXCHKPRY-UHFFFAOYSA-N 252.383 3.971 30 20 CHED C=CCC[C@H](CCC)N[C@H]1CC[C@](O)(C(F)(F)F)C1 644553133 KMXQVMQERNKGCT-RWMBFGLXSA-N 279.346 3.557 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](c2ccc(CC)cc2)C1 295272255 HQYDWGSWZJTFCR-INIZCTEOSA-N 271.404 3.777 30 20 CHED C=CCOc1cccc(NC(=O)N(C)[C@@H](C)C(C)C)c1 299182015 TZORSCDYTSNDLU-ZDUSSCGKSA-N 276.380 3.760 30 20 CHED Cc1oc(C#N)cc1C(=O)OC1(Cc2ccc(F)cc2)CC1 802792350 IVQXYIHDVDZIRT-UHFFFAOYSA-N 299.301 3.531 30 20 CHED C#C[C@H](NC(=O)c1ccccc1CSCC)C(C)(C)C 807883429 ALHXWSKXKAPSSH-HNNXBMFYSA-N 289.444 3.717 30 20 CHED CCCN(CC#N)C(=O)[C@@H](CC)CC1CCCCC1 475232940 NSZOPGABOPNOEO-HNNXBMFYSA-N 264.413 3.745 30 20 CHED C#C[C@@H](CC)N[C@@H](C)Cc1ccccc1C(F)(F)F 809686011 IIVOTVZOSASWLC-AAEUAGOBSA-N 269.310 3.638 30 20 CHED Cc1cccc([C@@H](C)C(=O)N2CCC(CCC#N)CC2)c1 569849833 FDFSLMAUTIAACK-OAHLLOKOSA-N 284.403 3.641 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)Cc1ccc(C#N)cc1 487224045 UIZVBWAAERKYHF-AWEZNQCLSA-N 284.403 3.576 30 20 CHED C=CCC[C@@H](CC)NCC(=O)Nc1ccc(Cl)cc1 481402789 LCVPJECKHINKFK-CYBMUJFWSA-N 280.799 3.613 30 20 CHED C=CC[C@@H](C)NC(=O)NCC1(c2ccccc2Cl)CC1 480284352 DFPHUWXADNMIBJ-GFCCVEGCSA-N 292.810 3.635 30 20 CHED C=CCCS(=O)(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 480989979 KNDYRWOHZKPLQT-HNNXBMFYSA-N 295.448 3.578 30 20 CHED C[C@@H]1Oc2cc(F)ccc2[C@H]1Nc1cccc(F)c1C#N 563257122 YXESQAQQFHJTDU-FVMDXXJSSA-N 286.281 3.771 30 20 CHED C#CCOc1ccc([C@H](C)NCc2cc(C)nc(C)c2)cc1 817590112 TWPAUGGEQISLOW-INIZCTEOSA-N 294.398 3.561 30 20 CHED COc1cccc2cc(C(C)=NOCCC3CC3)oc12 814245630 AHRBXIPVUKXDMD-UHFFFAOYSA-N 273.332 3.982 30 20 CHED C#C[C@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1ccc(Cl)cc1 811944825 KRGRHYPTBLIYNA-YGKJOQAUSA-N 287.790 3.877 30 20 CHED C#C[C@H](NC(=O)c1ccccc1C)c1ccc(Cl)cc1 811949151 QPRGIUWYXRMADC-INIZCTEOSA-N 283.758 3.753 30 20 CHED C[C@@H](C#N)CNN=Cc1c[nH]c2ccc(C(C)(C)C)cc12 811645367 JOIIYJBTYXPDLK-LBPRGKRZSA-N 282.391 3.549 30 20 CHED Cc1ccc2sc(C(=O)N3CC(C)(C#N)C3)c(C)c2c1 482609057 NVWWKOROSZBNEI-UHFFFAOYSA-N 284.384 3.504 30 20 CHED C[C@@H]1CC[C@H](C=NNc2ccc(F)c(F)c2F)C1 814945842 SWOBWEKWSULIMX-BDAKNGLRSA-N 256.271 3.938 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)c1cccc(CO)c1 813420079 JDOCYCVEQSHBKZ-OAHLLOKOSA-N 291.435 3.905 30 20 CHED CO[C@](C)(C=NNc1ccccc1Cl)C1CC1 814691094 MDXFUIUSXASTKZ-CYBMUJFWSA-N 252.745 3.553 30 20 CHED C=CCOCCn1nc(C)nc1-c1ccc2ccccc2c1 814749886 QLOSFCSOEIGUST-UHFFFAOYSA-N 293.370 3.609 30 20 CHED C=CCCCCCCNC(=O)NCc1occc1C 813753583 HHEALOADWJSYRF-UHFFFAOYSA-N 264.369 3.524 30 20 CHED C=C(C)CCOC(=O)Cc1cccc(Cl)c1F 810600257 XXLYQLGHKWPWGP-UHFFFAOYSA-N 256.704 3.531 30 20 CHED C=CCCCC[C@@H](C)NCc1cccc(C(=O)OC)c1 482220964 OONQKJDRIAWBEB-CQSZACIVSA-N 275.392 3.698 30 20 CHED C=CCN(C[C@H](O)c1cccc2ccccc12)C1CC1 815079276 PYJBVXLFNPGDBY-SFHVURJKSA-N 267.372 3.524 30 20 CHED C[C@@H](C#N)CNC[C@H](C)c1ccc(C(F)(F)F)cc1 579763696 GWUKWBZQFBKCLF-QWRGUYRKSA-N 270.298 3.558 30 20 CHED C=C(CC)Cn1cc(-c2ccc(Cl)s2)nn1 656452830 ARQNVKCTAUVUSF-UHFFFAOYSA-N 253.758 3.626 30 20 CHED CC[C@H](NCc1ccc(C#N)c(C)c1)c1nc(C)cs1 488312249 UQBTVRHFTNJGOA-HNNXBMFYSA-N 285.416 3.873 30 20 CHED CC(CCc1cccc(C)c1)=NOCCOC(C)C 812240155 KEZFTCQKYTYSSA-UHFFFAOYSA-N 263.381 3.745 30 20 CHED CC[C@@H](CC(=O)OCCOc1ccccc1C#N)C(C)C 729760075 DXOJUJLZESRJQD-AWEZNQCLSA-N 289.375 3.553 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@H](C#N)CCC 727675262 IMUQYSHIEBRFLU-KGLIPLIRSA-N 252.402 3.791 30 20 CHED C=C[C@H](CO)N[C@@H](C)c1ccc(-c2ccc(F)cc2)s1 658334988 GZUJHOHLQGEHLS-SMDDNHRTSA-N 291.391 3.752 30 20 CHED CCCCCCCCC(=O)N(C)c1ncc(C(=O)O)s1 829357703 UUNMYJQVVBBGDV-UHFFFAOYSA-N 298.408 3.555 30 20 CHED C#CC[C@H](NC(=O)C1CCC=CCC1)c1ccccc1 821339789 IHHZTBGBEMYLIX-KRWDZBQOSA-N 267.372 3.614 30 20 CHED CC(C)(CCC#N)CNC(=O)[C@@]1(C)CCc2ccccc2C1 573754941 KEZTUWOMHIKHOP-IBGZPJMESA-N 298.430 3.628 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2c(C)ccnc2C)C1 667062524 HHAYSDHGGDWYGD-AWEZNQCLSA-N 273.380 3.518 30 20 CHED COc1cccc(/C=C2\Cc3c(C)cccc3C2=O)c1 729148925 BRDYJYUDFXEJCC-NTEUORMPSA-N 264.324 3.826 30 20 CHED CCCCCCC[C@H](C)CNC(=O)Cc1c(C)n[nH]c1C 728314772 RETCSURATJCUBB-ZDUSSCGKSA-N 293.455 3.682 30 20 CHED C=C(CC)CNCc1cc2cnn(C(C)C)c2nc1Cl 825221047 GNNLAUPXSXQLIZ-UHFFFAOYSA-N 292.814 3.721 30 20 CHED Cc1cc(C(=O)O[C@H](C)C#N)sc1-c1ccc(F)cc1 726655432 ICHRYUZMRFLHDQ-SNVBAGLBSA-N 289.331 3.932 30 20 CHED Cc1cc(C#N)cc(N2CCC[C@H]2Cc2ccc(F)cc2)n1 587397013 QSSIGHMDEKHLOE-KRWDZBQOSA-N 295.361 3.612 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C\c1cc(Cl)cs1 588601276 GZIXFYSRXXKZJJ-PLNGDYQASA-N 280.780 3.648 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cncc(Cl)c1Cl 904228525 WIOCUJXVTXIRDR-QMMMGPOBSA-N 273.163 3.929 30 20 CHED CC[C@@H](NC(=O)C#CC(C)C)c1ccccc1OC(F)F 821807003 WHACTCRCRAITAX-CYBMUJFWSA-N 295.329 3.515 30 20 CHED CCCCCCCCC/C=C/C(=O)Nc1n[nH]c(C)n1 737836269 DBMYGSJZZCPYQN-VAWYXSNFSA-N 278.400 3.749 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=Nn2cnc3ccccc32)o1 732766779 VWRSPTLWKMGVPY-AAEUAGOBSA-N 265.316 3.635 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(F)cc2F)cnn1C(C)C 588559101 JEAXMKZTFNFISQ-ALCCZGGFSA-N 290.313 3.947 30 20 CHED C=CCCC1(CNC2CCC(C(=O)O)CC2)CCCC1 665337591 PAUBTRYEDGDKHA-UHFFFAOYSA-N 279.424 3.746 30 20 CHED CCOc1ccc(/C=N\C[C@@H]2CCc3ccccc32)c(O)c1 731937646 LSFYSZIUKCBOCN-HYTQYMIGSA-N 295.382 3.940 30 20 CHED COc1ccsc1C(=O)/C=C\c1ccc(F)cc1F 588489116 WFVDBUJHVIFDIG-HYXAFXHYSA-N 280.295 3.931 30 20 CHED C=CCCC[C@H](N)c1nc(-c2ccc(Cl)s2)no1 904688504 BWBHXRCHOBFDMH-QMMMGPOBSA-N 283.784 3.808 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1ccc(C2=CCCC2)cc1 589789425 YWVUVHDUZGPOCI-QGZVFWFLSA-N 282.387 3.922 30 20 CHED C#CC(C)(C)NC(=O)CC(c1ccccc1)c1ccccc1 733873454 XBSDBUGBXPAAMN-UHFFFAOYSA-N 291.394 3.737 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1nc(C(F)(F)F)cs1 904765031 DFYSGOVRZKYYKA-QMMMGPOBSA-N 293.310 3.807 30 20 CHED C=C1CC(c2noc(-c3ccc(NC(=O)OC)cc3C)n2)C1 904108343 JFYBEFUCAFXHKC-UHFFFAOYSA-N 299.330 3.657 30 20 CHED C#CCOc1cccc(COC(=O)/C=C\c2ccsc2)c1 730404773 NMLPEKSJSPSBFF-SREVYHEPSA-N 298.363 3.517 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(F)cc3cccnc23)C1 839053553 JIVPBQVOBZUHTL-SMDDNHRTSA-N 298.317 3.613 30 20 CHED C=C(Cl)CN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 839617491 NXSYIQIGVCAHCA-GFCCVEGCSA-N 294.609 3.543 30 20 CHED N#C[C@@]1(C(=O)O[C@@H]2CCc3ccc(F)cc32)CC12CCCC2 839293000 AKPZEUWCDKZXNU-CRAIPNDOSA-N 299.345 3.830 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OC=C)cc1 837763598 NEPULUXNHUBKOF-UHFFFAOYSA-N 257.333 3.731 30 20 CHED N#Cc1cccc(COC(=O)[C@@H]2CCCCC2(F)F)c1F 837823664 LXEWWLYTGFZWBW-LBPRGKRZSA-N 297.276 3.566 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@H]4C[C@@H]4C3)c2c1 596508622 DVWCLYGVYKVIBW-UONOGXRCSA-N 277.371 3.570 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 599621163 DBRCBAHUVSXYRV-KBPBESRZSA-N 272.392 3.625 30 20 CHED CN(CCC(C)(C)C)C(=O)[C@H](C#N)CCc1ccccc1 592836595 SKBGZBBUMGYSTA-INIZCTEOSA-N 286.419 3.654 30 20 CHED C=C(CC)CNC(=O)N1CCC(c2cccc(F)c2)CC1 838721603 XXGHBLUYEIWKLB-UHFFFAOYSA-N 290.382 3.681 30 20 CHED C=C(C)CN(C)C(=O)Nc1c(C)cc(C)cc1Cl 679227343 VZPACVMPMSYIRF-UHFFFAOYSA-N 266.772 3.997 30 20 CHED CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 598603637 XPVLOBVEWZSVCF-LSDHHAIUSA-N 294.826 3.681 30 20 CHED C/C(=C/C(=O)OCc1cn2ccccc2c1C#N)C(C)(C)C 745596650 DBBLUULXWWVPGG-LCYFTJDESA-N 296.370 3.847 30 20 CHED CCCCCCCCCNC(=O)N(C)C[C@H]1CCCCO1 919653988 CYTLZTNSNNGZBM-MRXNPFEDSA-N 298.471 3.948 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@]1(c2ccccc2)CC1(C)C 596623385 ABCSOJDQXQFVJG-SFHVURJKSA-N 299.418 3.551 30 20 CHED CCC[C@H](C)C(CC)=NNc1nccnc1Cl 748250695 FCBNTMYRSIXAKU-VIFPVBQESA-N 254.765 3.744 30 20 CHED C=C[C@H](C)ONC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 846554267 JEQJZZBCQIHOEG-UWVGGRQHSA-N 287.281 3.588 30 20 CHED CCCCCCCC(=O)Nc1cnn(CC(C)C)c1 742844998 LQLPKQDVDNAPSB-UHFFFAOYSA-N 265.401 3.838 30 20 CHED CCCCCCCCCCC(=O)n1ncc(C#N)c1N 746888999 BNCDUBOIKRJLSP-UHFFFAOYSA-N 276.384 3.508 30 20 CHED CC(CCc1ccccc1)=NNc1ccc(C#N)cc1 915962838 WWEPHCZQSLBQEA-UHFFFAOYSA-N 263.344 3.979 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H](C#N)c2ccccc2)C12CCCC2 595482471 OLGRFSGHVOMJRN-YESZJQIVSA-N 284.403 3.579 30 20 CHED C[C@@H](C#N)N(CCc1cccc(OC(F)(F)F)c1)C1CC1 595712348 KDVWYFJCJDCSPT-NSHDSACASA-N 298.308 3.504 30 20 CHED Cc1ccc(C#N)cc1-c1ccc(NC(=O)C(C)(C)C)nc1 592985320 DXPRDCRNVXSXRX-UHFFFAOYSA-N 293.370 3.913 30 20 CHED CO[C@@]1(C)CC(=NNc2cccc3cnccc23)C1(C)C 746575470 HQLAHEKSQWGESW-KRWDZBQOSA-N 283.375 3.838 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)NCCc1ccc(C#N)cc1 597888547 BFVXTSAFZIHUBH-AWEZNQCLSA-N 286.419 3.679 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2Nc1nccs1 846753588 VVXNLFSCAZDOFE-ZDUSSCGKSA-N 255.346 3.504 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 599621164 DBRCBAHUVSXYRV-KGLIPLIRSA-N 272.392 3.625 30 20 CHED C=CCN(Cc1cc(C)ccn1)Cc1ccccc1F 683004993 UXNOQJINPZBXEU-UHFFFAOYSA-N 270.351 3.717 30 20 CHED CSc1cccc(NC(=O)N2CCC[C@@H](CC#N)C2)c1 596626588 LBKPFFUMSCIYGW-LBPRGKRZSA-N 289.404 3.566 30 20 CHED Cc1cccc2ncc(/C=C\C(=O)c3ccsc3)n12 748996849 BISBNWCKSLHBRV-WAYWQWQTSA-N 268.341 3.600 30 20 CHED CCc1ccc(N(CC)C(=O)c2ccc(C#N)s2)cc1 749319774 RPRJQVYCKOKVMA-UHFFFAOYSA-N 284.384 3.849 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(O)c(C)c2)c1 742435320 VQYSLQWTMPJMRU-VURMDHGXSA-N 282.339 3.743 30 20 CHED N#Cc1ccc(S[C@@H]2CCCc3ccccc3C2=O)nc1 597141918 PNTYTEXWNBDQLL-OAHLLOKOSA-N 294.379 3.633 30 20 CHED Cc1ccnc(N[C@@H]2CC[C@@H]2c2ccccc2)c1C#N 596498722 NXVNIDGIXQXUMW-GDBMZVCRSA-N 263.344 3.620 30 20 CHED Cc1ccc(C2(C(=O)Nc3ccccc3C#N)CCC2)cc1 591840762 KSHGULWIKHGVPT-UHFFFAOYSA-N 290.366 3.927 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccc2c(c1)CCCCC2 593271460 CGYOJXCZUUVLPF-CYBMUJFWSA-N 285.391 3.579 30 20 CHED CCCCCCCCCN(C)C(=O)NCc1cccn1C 743710195 KJGMEWLERBFMBR-UHFFFAOYSA-N 293.455 3.917 30 20 CHED C=C(C)CONC(=O)N(Cc1ccccc1)CC1CCC1 845594663 QJQOVQMQZHPXSF-UHFFFAOYSA-N 288.391 3.506 30 20 CHED Cc1ccc(Cl)c(Oc2ncc([N+](=O)[O-])cc2C#N)c1 742662663 KGJHVUCDWSSTFD-UHFFFAOYSA-N 289.678 3.616 30 20 CHED CCc1cnc(CON=C(C)c2cc3ccccc3o2)o1 742351991 KRUUDBINZXGKGX-UHFFFAOYSA-N 284.315 3.924 30 20 CHED C=C[C@@H](C)ONC(=O)c1cccn1[C@@H](C)Cc1ccccc1 846551190 XQZGLKDLNHWRCS-LSDHHAIUSA-N 298.386 3.528 30 20 CHED CCc1cc(C(=O)NCCC#N)sc1-c1ccccc1 847969579 ZVBXGZUKHOWCCF-UHFFFAOYSA-N 284.384 3.621 30 20 CHED C(=NOCCCOCCc1ccccc1)c1cccs1 759151189 FJSKMQUHKPIOLZ-UHFFFAOYSA-N 289.400 3.748 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)C1(Cl)CC1 925601773 OPCBZIPALCJWPA-OCCSQVGLSA-N 262.784 3.781 30 20 CHED COc1cccc2c1CC[C@@H]2/N=C\c1ccccc1O 759642581 HYSPRFOLWLCXFG-GZQZNAIASA-N 267.328 3.507 30 20 CHED C#CCOc1cccc(NC(=O)C(C)=C2CCCC2)c1 753606149 GXHFAIRXYRCRQQ-UHFFFAOYSA-N 269.344 3.528 30 20 CHED COc1ccc(NN=C(C)c2ccc(OC)cc2F)cc1 750922384 OPXWOQVNWKTQIH-UHFFFAOYSA-N 288.322 3.679 30 20 CHED C#CC[C@H](NC(=O)c1cc(C)cc(F)c1)c1ccccc1 757597042 JINXJEUGRBSYRN-KRWDZBQOSA-N 281.330 3.629 30 20 CHED C=C(Br)CN(C)C/C(C)=C\c1ccccc1 755195590 OSVHZZYHSWSVQA-XFXZXTDPSA-N 280.209 3.930 30 20 CHED C#CCCCC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 757907429 GEAJFWCBLULTSL-UHFFFAOYSA-N 296.197 3.682 30 20 CHED C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc2ccccc2c1 852101471 QULKGSWFQIZNBY-LIRRHRJNSA-N 294.398 3.558 30 20 CHED CC#CCCCCOC(=O)c1ccsc1Cl 853115748 BOBGJLRNAURJFH-UHFFFAOYSA-N 256.754 3.752 30 20 CHED C#C[C@H](CC)NC(=O)N1CCC[C@@H]1CCCc1ccccc1 753242649 GOCJAVXPTJNMOQ-MSOLQXFVSA-N 298.430 3.595 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2ncccc2c1 851207442 CQPNDFFFBZKJDA-LBPRGKRZSA-N 282.343 3.720 30 20 CHED C#CCON=C(CC)Cc1ccc(C(F)(F)F)cc1 853347998 WQYFGOQDLVZRSJ-UHFFFAOYSA-N 269.266 3.664 30 20 CHED C=C(C)CNC(=S)Nc1cccc2ccsc12 752791687 TZHWJDGAAJFFMU-UHFFFAOYSA-N 262.403 3.764 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@@H]2CCOc3ccccc32)cc1 752156513 BEVVIBFYRVXXBP-LBPRGKRZSA-N 297.314 3.559 30 20 CHED C[C@H]1CCC[C@@H](CCON=C2CCC3(CC2)OCCO3)C1 756864608 UWCYBEVVFSAHCO-GJZGRUSLSA-N 295.423 3.893 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccccc1C#N 755585346 SBQOVSBCOJTTPR-NTMALXAHSA-N 277.323 3.771 30 20 CHED CC(=NNc1cc(F)cc(F)c1)c1cc(F)ccc1O 920376673 NLBWLJFCTOQARJ-UHFFFAOYSA-N 280.249 3.646 30 20 CHED C#C[C@@H](CC)NC(=O)N1CCC[C@H]1CCC1CCCC1 753259026 NPUIHGPATBSRMH-HOTGVXAUSA-N 276.424 3.543 30 20 CHED COc1cccc(C(=O)/C=C/c2cc(F)cc(F)c2)c1 755570072 CHCXYIYCKRDPPR-AATRIKPKSA-N 274.266 3.870 30 20 CHED C=CCC(CC=C)C(=O)OCCc1ccccc1F 758522569 IUCSDWNPKVOESG-UHFFFAOYSA-N 262.324 3.680 30 20 CHED COc1cc(C(=O)O)ccc1NN=C/C=C/c1ccccc1 756905465 APMUNPUBDZGFEN-XQJBRBSMSA-N 296.326 3.505 30 20 CHED C=CCN(C[C@@]1(C)CC1(Cl)Cl)C(C)(C)C 852554369 KNVJQODBVXAKIF-LLVKDONJSA-N 250.213 3.857 30 20 CHED C[C@@H](C#N)Oc1ccccc1N[C@@H]1CCC(C)(C)C1 753727840 QCTCGGRFCWKFMT-QWHCGFSZSA-N 258.365 3.968 30 20 CHED C#CCCOc1cc(OCCC#C)c(Cl)cc1Cl 763299018 RREJJDMMLHMGJS-UHFFFAOYSA-N 283.154 3.798 30 20 CHED C#C[C@@H](C)OC(=O)[C@@H](CC)c1ccc(Br)cc1 860562025 XDETXDCRFQIYNF-MFKMUULPSA-N 295.176 3.508 30 20 CHED CC(C)CC(=NNc1ccccc1C(=O)O)c1ccccn1 760240873 HZAFPRACIUSBRY-UHFFFAOYSA-N 297.358 3.642 30 20 CHED CCC1CCC(=NNCc2ccc(C#N)cc2)CC1 769821850 UBIISEUVSJBWQG-UHFFFAOYSA-N 255.365 3.604 30 20 CHED C=C1CCN(C(=O)Nc2c(C)cccc2SC)CC1 930892439 QCVVEZJOBIODRB-UHFFFAOYSA-N 276.405 3.901 30 20 CHED C/C(=C\c1c(Cl)cccc1Cl)C(=O)O[C@H](C)C#N 766794799 QSJAAGOLDMMTDJ-BNICOGTQSA-N 284.142 3.852 30 20 CHED CCOc1ccc(/C=N\CC(C)(C)c2ccncc2)c(O)c1 768269279 MDYOOOUISLZQCT-NDENLUEZSA-N 298.386 3.583 30 20 CHED C=CCN(Cc1ccc(OC[C@@H]2CCCO2)cc1)C(C)C 768547862 SKQKVEZPAUTYKU-SFHVURJKSA-N 289.419 3.641 30 20 CHED C#C[C@H](C)N(C)C(=O)c1cccc(Oc2ccccc2)c1 767254557 NVQDBRSFAJUETG-AWEZNQCLSA-N 279.339 3.573 30 20 CHED CON=Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1 869130842 NJQYQEFVJONHHV-UHFFFAOYSA-N 282.343 3.536 30 20 CHED CCCCCCCCNC(=O)[C@H]1CCCc2cccnc21 766841194 ACSBMJPNPJXIOJ-INIZCTEOSA-N 288.435 3.978 30 20 CHED C=CCN(Cc1cc(O)ccc1Br)C(C)C 768547414 LPEFEZYSMSOAES-UHFFFAOYSA-N 284.197 3.551 30 20 CHED C#C[C@H](C)N(C)C(=O)C(C)(C)c1ccc2ccccc2c1 767254719 UFCSQOVWFAHWAJ-AWEZNQCLSA-N 279.383 3.598 30 20 CHED C[C@@H](CC#N)OC(=O)/C=C/c1ccccc1C(F)(F)F 870205275 PGVSNBZTSPONIM-FGEFZZPRSA-N 283.249 3.564 30 20 CHED C=CCn1cnnc1SCC[C@H]1CCC[C@H](C)C1 1116931761 GPMUHOUXWTZJFA-QWHCGFSZSA-N 265.426 3.773 30 20 CHED C=CCC(C)(C)c1nnc(-c2ccc(Cl)nc2)o1 1118429279 BJFLHNXKEVNGMI-UHFFFAOYSA-N 263.728 3.639 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ccc(C(F)(F)F)nn1 773211091 ZARQVGVGUATQIS-WDEREUQCSA-N 298.312 3.886 30 20 CHED C#CCCCCCC(=O)N1CCC(CC(C)C)CC1 779935816 JLFLIJFECSSFPS-UHFFFAOYSA-N 263.425 3.855 30 20 CHED COC(=O)c1coc(/C=C2/CCCc3ccccc3C2=O)c1 774104449 IXIGZNPKMWUFNN-LCYFTJDESA-N 296.322 3.669 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H]3C=CCCC3)[nH]c12 778648618 AVJAKDOKYFOKCW-KGLIPLIRSA-N 293.370 3.794 30 20 CHED CCC(=O)c1c(Cl)cccc1NC[C@H](C)C#N 872469147 LZZRMTDVSXQMIK-SECBINFHSA-N 250.729 3.504 30 20 CHED Cc1ccc(-c2ccc(C=NNCCOC(C)C)o2)cc1 778553056 ZAAGQMGOKBODOE-UHFFFAOYSA-N 286.375 3.604 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1ccc2cccnc2c1 870307009 VMSVIEZSPNXIEE-GOSISDBHSA-N 299.370 3.620 30 20 CHED C=C(Cl)CN[C@H](C)c1ccc(N(C)CC)cc1 773004215 IZJBEQGLLAASHL-GFCCVEGCSA-N 252.789 3.546 30 20 CHED CC1=C(C)C[C@H](C(=O)O[C@@H](CC#N)c2ccco2)CC1 1123368066 DBQTXWLSPMWIQE-HIFRSBDPSA-N 273.332 3.914 30 20 CHED C#CCCCCCC(=O)N[C@@H](C1CCCC1)C(F)(F)F 779982133 RZLQWXUVACJZLX-AWEZNQCLSA-N 289.341 3.807 30 20 CHED Fc1cccc(F)c1NN=C1CCCNc2ccccc21 774387706 WATQWPKJWGVWGD-UHFFFAOYSA-N 287.313 3.987 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc[nH]1 776878770 BONOAVQCRCYJAL-LBPRGKRZSA-N 286.400 3.784 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 1120707554 JTERKWNNGDELLZ-INIZCTEOSA-N 285.387 3.607 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCc2cc(C)ccc21 776084074 HXHRYPDJIBSTIW-CQSZACIVSA-N 272.392 3.812 30 20 CHED C=CCCC[C@@H](NCc1cc(C)nn1C)c1ccccc1 880389178 DQCLPHXRMPRQBA-GOSISDBHSA-N 283.419 3.916 30 20 CHED C=CC(C)(C)CC(=O)Oc1c(Cl)cc(C#N)cc1OC 887709232 AWWNIEZTNYMIBH-UHFFFAOYSA-N 293.750 3.728 30 20 CHED C=CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1)C(C)C 784051508 OZHMZJWWEVWTON-UHFFFAOYSA-N 289.272 3.881 30 20 CHED C[C@]1(C(=O)O[C@H](CC#N)c2ccco2)CC=CCC1 1123370280 UAFNNQHALVELKY-HIFRSBDPSA-N 259.305 3.524 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cnc(C2CCC2)s1 782288569 QJNRUPQVSSZWKY-ZDUSSCGKSA-N 277.437 3.913 30 20 CHED CC(=NNCc1ccc(Cl)cc1Cl)[C@H]1CCCO1 783825907 FFDPBTKZHHOCJB-CYBMUJFWSA-N 287.190 3.638 30 20 CHED CCC(=NNc1ccnc(F)c1)c1ccc(F)cc1 781128642 ZGFWRTOSSHPJQJ-UHFFFAOYSA-N 261.275 3.586 30 20 CHED N#CC1(C(=O)OC/C=C/c2ccc(Cl)cc2)CCC1 787710484 OZTAWDBJWNOYPQ-HNQUOIGGSA-N 275.735 3.590 30 20 CHED C=C1CC(c2noc(Cc3ccc(OC(F)F)cc3)n2)C1 896890778 WIEIXMBKZNRGRQ-UHFFFAOYSA-N 292.285 3.695 30 20 CHED CCCCCCCCNC(=O)[C@H]1CC(=O)c2ccccc21 789663022 FPMDSMYZLUFURI-INIZCTEOSA-N 287.403 3.833 30 20 CHED CCc1ccc(NC(=S)N2CCC[C@](C)(C#N)C2)cc1 783773909 PBYUQJLNFYVBJU-MRXNPFEDSA-N 287.432 3.571 30 20 CHED N#Cc1ccc(CN(Cc2ccc(O)c(F)c2)C2CC2)cc1 891596512 UXJHVPDFXNGJDV-UHFFFAOYSA-N 296.345 3.568 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1cc(F)cc(C#N)c1 1208346235 QQLZBSQQRVGGQB-SNVBAGLBSA-N 277.343 3.644 30 20 CHED COc1ccc(C)cc1[C@H](C)OC(=O)c1cc(C#N)oc1C 797962396 YNCZGMORUJOPLM-NSHDSACASA-N 299.326 3.695 30 20 CHED N#Cc1csc(C(=O)Nc2ccc(C(F)F)cc2)c1 1134356761 LOBKYKHOEWPISO-UHFFFAOYSA-N 278.283 3.810 30 20 CHED CCCCCOc1ccc(OC(=O)c2ccc(C#N)o2)cc1 796732160 OMEAOKBMVVUJIP-UHFFFAOYSA-N 299.326 3.939 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)N(CCC#N)CC(C)C 793239462 ABDYMXJCHBTKCO-GJZGRUSLSA-N 264.413 3.601 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)[C@H](C)C1 1208346295 SYXGQCDVKDMYJC-HFAKWTLXSA-N 289.354 3.644 30 20 CHED CC1(C)CC(C(=O)[C@H](C#N)c2ccc3ccccc3n2)C1 796750235 VFGBTIAABTXXKQ-CQSZACIVSA-N 278.355 3.847 30 20 CHED CC[C@H]1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 1136756899 VJCFDTBAFWFZAX-FUHWJXTLSA-N 298.430 3.798 30 20 CHED Cc1ccc(F)c(C=NNc2cccc(F)c2[N+](=O)[O-])c1 790308659 KEBMRDVUIBXEBK-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C=C(C)CCOC(=O)[C@@H](C)[C@H]1OCCc2sccc21 796474331 PWBTZYNWSOPEMX-SMDDNHRTSA-N 280.389 3.507 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@@H](F)CC1CCCCC1 796773879 FDRHYJDXQXHUOF-AWEZNQCLSA-N 292.329 3.944 30 20 CHED Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)cc1C#N 799300774 YMVVYTYWVGNZTG-MRXNPFEDSA-N 296.395 3.809 30 20 CHED CC(C)(C)C1CCN(N=Cc2ccsc2)CC1 790181193 NZQFRUHRWGZHOX-UHFFFAOYSA-N 250.411 3.840 30 20 CHED O=C1/C(=C\c2cc(F)cc(F)c2)CCc2ccc(O)cc21 794959945 GTBPNEWSLWMICG-XGICHPGQSA-N 286.277 3.883 30 20 CHED C=C(C)CCOC(=O)c1cscc1Br 797079585 PLAQOHQDHMAZBW-UHFFFAOYSA-N 275.167 3.634 30 20 CHED C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1cccs1 45027053 HGVJPTUCKQCQBM-SNVBAGLBSA-N 271.345 3.502 30 20 CHED N#Cc1cnc(N[C@H]2CC[C@H](Cc3ccccc3)C2)c(F)c1 1307098352 JSGVRCMPOKNBNV-ZBFHGGJFSA-N 295.361 3.916 30 20 CHED CCC[C@H]1CCCN1Cc1ccc(Cl)cc1C#N 1308135970 SNAWIDRKKJJRCU-HNNXBMFYSA-N 262.784 3.976 30 20 CHED FC(F)(F)c1ccc(C#CCN2CC3CCC2CC3)cc1 1319880469 UFJLVJIEYOCSBH-UHFFFAOYSA-N 293.332 3.931 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 1319316125 PPSRDIHDWFOJPA-RCCFBDPRSA-N 281.399 3.513 30 20 CHED CC[C@H](C#N)C(=O)N(Cc1cccc(Cl)c1)C(C)C 593464492 KDLILBUVSUWJFP-CYBMUJFWSA-N 278.783 3.627 30 20 CHED Cc1ccnc(NN=CCCc2ccc(F)cc2)c1 1322773964 NWAYJKSAZNRKBU-UHFFFAOYSA-N 257.312 3.560 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2csc(Br)c2)C1 274213817 ODOZEFAREVMLRI-GXSJLCMTSA-N 299.237 3.683 30 20 CHED N#Cc1cc(F)cc(NCc2ccc(F)c(F)c2F)c1 600861894 PYYSYCNIQVDDIH-UHFFFAOYSA-N 280.224 3.727 30 20 CHED CC[C@H]1CCC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 83640436 INNWQSFWWFWWOD-AAEUAGOBSA-N 273.336 3.847 30 20 CHED C[C@H](CC#N)N(C)Cn1cc(-c2ccccc2)oc1=S 1321554357 WISPAZXFYLNZQG-GFCCVEGCSA-N 287.388 3.669 30 20 CHED C=CC[C@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 661376269 ACHOPIRTTWERBX-LBPRGKRZSA-N 289.404 3.586 30 20 CHED COCc1cc(C#N)ccc1N[C@@H](C)c1ncccc1C 1339870207 BGTYFKQADDXLTP-ZDUSSCGKSA-N 281.359 3.581 30 20 CHED CCCCCCCCCC(=O)N1C[C@@H](C)[C@](C)(CO)C1 694709540 AOYADRPYWDQOIM-WBVHZDCISA-N 283.456 3.604 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H]1CCCCC1(F)F 1336758600 GRAZAVZFKIPFBW-QWHCGFSZSA-N 271.351 3.769 30 20 CHED CCCCCCCCCN1CCN(CC(F)(F)F)CC1 792199804 KXPQPHSFUMCBKH-UHFFFAOYSA-N 294.405 3.917 30 20 CHED CC(C)C[C@]1(C)CCCN1Cc1cccc(C#N)c1 1194534162 PFPYASJYPCJAAP-KRWDZBQOSA-N 256.393 3.959 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)C1CCSCC1 1338403804 SKMKRMPAESNMCX-UHFFFAOYSA-N 292.452 3.705 30 20 CHED Cc1cccnc1[C@@H](C)Nc1ncc(Cl)c(C)c1C#N 1262712145 VANIUCBUVWXXKR-LLVKDONJSA-N 286.766 3.792 30 20 CHED CC(C)CC1CCN(Cc2ccc(F)cc2C#N)CC1 1191496452 PMXMGQYUDITCQM-UHFFFAOYSA-N 274.383 3.955 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)[C@@H](CC#N)c2ccccc2)C1 1264797016 JFFJERGPRAEVIA-INMHGKMJSA-N 284.403 3.626 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(OC)cc1 1346238360 MXKPHFHSJONYOC-AWEZNQCLSA-N 274.364 3.658 30 20 CHED Cc1csc(NC(=O)c2ccc3ccncc3c2)c1C#N 1271967217 QKNHYXZAUIXARL-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1c(F)cc(OC)cc1F 1355122367 SSPVNJXIRODEJG-NSHDSACASA-N 295.329 3.544 30 20 CHED C=C(CC)C(=O)N(CCC)[C@@H]1CCc2ccccc21 1519235123 WUSMNWOUYOAXSK-MRXNPFEDSA-N 257.377 3.879 30 20 CHED Cc1cccc(C(=O)N2CCc3cc(C#N)ccc32)c1Cl 1525149608 PCMMAXGXDUYRIP-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=C(Cl)CNC(=O)NCC[C@@H](C)CC(C)(C)C 1469804080 LKWWWMUIBXVAOU-SNVBAGLBSA-N 260.809 3.501 30 20 CHED C=CCCCCN[C@@H](C(=O)O)c1cccc2ccccc12 1602870056 HVBZDOYCEPXCQR-QGZVFWFLSA-N 283.371 3.911 30 20 CHED CC(C)C1(C)CCN(Cc2ccc(F)cc2C#N)CC1 1617368143 ZEFKVTAGSRQEMH-UHFFFAOYSA-N 274.383 3.955 30 20 CHED CC[C@@H](C)CCC(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1628458433 LNSQENOXWQZUQA-SNVBAGLBSA-N 284.363 3.508 30 20 CHED N#Cc1ccc(Oc2ccc(Br)nc2)cc1 139302763 PBAOAPCQDDQCJS-UHFFFAOYSA-N 275.105 3.508 30 20 CHED Cc1csc(NC(=O)N[C@@H](C)CC(C)(C)C)c1C#N 1624564757 ZPBALHBOEFYXNB-JTQLQIEISA-N 279.409 3.874 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2scc(C)c2C#N)[C@@H]1C 1624564716 YQWIJPJDMMOYQO-GHMZBOCLSA-N 277.393 3.581 30 20 CHED CC1(C)CN(C(=O)[C@H](CC#N)c2ccccc2)CC(C)(C)C1 1638060294 UQSIMPNLMSCHDN-MRXNPFEDSA-N 298.430 3.969 30 20 CHED Cc1ccsc1CNc1nc(C#N)c(Cl)s1 1639356678 NLVJEGMHSXRIFQ-UHFFFAOYSA-N 269.782 3.650 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 5127852 GZHQLAISGQJJNE-IZZDOVSWSA-N 269.319 3.788 30 20 CHED Cc1ccc(CN(C)c2c(C#N)cccc2C#N)cc1C 1642798198 YANUXHOYVUBTSJ-UHFFFAOYSA-N 275.355 3.683 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)CC1(CC#N)CC1 1644710124 FZFCMNUCQVBTAC-QGZVFWFLSA-N 270.420 3.942 30 20 CHED Cc1cc(NCc2cccc(C(F)(F)F)c2)ncc1C#N 1649169375 KXJKLOGLKDJJAW-UHFFFAOYSA-N 291.276 3.893 30 20 CHED C=CC[C@H](S[C@@H](C)c1ccc(OC)cc1)C(=O)O 1573352383 BDLQSKWHKXAYSN-GWCFXTLKSA-N 266.362 3.519 30 20 CHED C[C@H]1CCCC[C@@H]1N(C)CCc1ccc(C#N)cc1 1654152920 XTRGYYPIYVSCNX-YOEHRIQHSA-N 256.393 3.611 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)c(F)c1 1533988639 PZOHKVLWXWSCCC-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCCC[C@H](SCc1ccc(F)c(C#N)c1)C(=O)O 1595657601 OIEXMYCDKUJYDH-ZDUSSCGKSA-N 281.352 3.574 30 20 CHED Cc1cc(Cl)ccc1C(=O)Nc1cc(C#N)ccc1F 1596936142 DUIUSYPCWLQDKM-UHFFFAOYSA-N 288.709 3.912 30 20 CHED O=C(O)c1ccccc1NN=Cc1csc(Cl)c1 1776032078 LVMNMNVOMNHCFU-UHFFFAOYSA-N 280.736 3.546 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@H](C)CC(C)(C)C)C1 1776154539 ISUCKBXFJBYFLX-PBHICJAKSA-N 281.440 3.802 30 20 CHED CCc1cc(C(=O)O)c(C=NOC2CCCCC2)s1 1776056379 GPJQZOLFBFUIMO-UHFFFAOYSA-N 281.377 3.692 30 20 CHED C=CCCC[C@@H](NCC1CCCCCCC1)C(=O)O 1776171243 RTJNQNHESBSRTA-OAHLLOKOSA-N 267.413 3.746 30 20 CHED CC1(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CCC1 161102075 QAXDRLHRMVYSEK-UHFFFAOYSA-N 297.383 3.810 30 20 CHED C#Cc1cccc(NCc2ccc(N(C)CCC#N)cc2)c1 158298233 XGKIFABTEYFZKV-UHFFFAOYSA-N 289.382 3.630 30 20 CHED N#Cc1cccc(SCc2nc3ccccc3[nH]2)c1 158776813 LAVCZRMTILGKLY-UHFFFAOYSA-N 265.341 3.727 30 20 CHED C=CCCN[C@@H](CC)c1cc(Br)ccc1O 168503939 XWQRQUZGCQDRNX-LBPRGKRZSA-N 284.197 3.772 30 20 CHED C=C(C)CN1CCC(N[C@@H](CC)CCCC)CC1 153035130 OMTGKBHPDBXRQJ-HNNXBMFYSA-N 252.446 3.585 30 20 CHED CCOc1ccc(C(=O)N(CC)c2ccc(C#N)cc2)cc1 151831466 MGJJSKFCUFFSGY-UHFFFAOYSA-N 294.354 3.624 30 20 CHED C=C[C@H](CC(=O)N1CCC[C@@H](CC)C1)c1ccccc1 152676632 JPTNNRUQQKWZGE-HZPDHXFCSA-N 271.404 3.995 30 20 CHED CCN(C(=O)C[C@@H](C)CC(C)C)c1ccc(C#N)cc1 152043636 DUHXRKIOOJVGNQ-AWEZNQCLSA-N 272.392 3.983 30 20 CHED N#Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)[nH]1 152555230 CNFKNMYBWJOLSK-UHFFFAOYSA-N 287.322 3.806 30 20 CHED CC[C@@H]1CCC[C@@H]1NCc1ccc(O[C@@H](C)C#N)cc1 154122928 ITYLYXQEWFOLAB-LXZKKBNFSA-N 272.392 3.646 30 20 CHED C=CCC[C@H](NC(=O)/C=C/c1cccnc1)c1ccccc1 154215590 NDYJDWHKGFHORY-HHNLSAEISA-N 292.382 3.919 30 20 CHED CCOc1ccccc1CNc1cccc(C#N)c1 19921921 VDBPOCQXRODNKH-UHFFFAOYSA-N 252.317 3.569 30 20 CHED CC[C@@H]1CCC[C@H](Nc2cc(C#N)ccc2OC)C1 1205346757 FZRKBDVJHYTYLC-OCCSQVGLSA-N 258.365 3.948 30 20 CHED C#Cc1ccc(CNCc2ccc(F)c(Cl)c2)cc1 809612121 GAKPYQIGBBYRCL-UHFFFAOYSA-N 273.738 3.750 30 20 CHED C=CCN(CCSc1ccc(F)cc1)C(C)C 917069080 GISYVVQNOMSWJX-UHFFFAOYSA-N 253.386 3.814 30 20 CHED CS[C@@H]1CC[C@H](Nc2nc3ccccc3cc2C#N)C1 226803818 YZVVDEAZYILBPW-UONOGXRCSA-N 283.400 3.802 30 20 CHED COc1ccc(CN[C@@H]2CCC[C@H](C)CC2)cc1C#N 227310204 IWUMRLPKKMJPOS-XJKSGUPXSA-N 272.392 3.625 30 20 CHED CN(Cc1ccoc1)c1ccc(C#N)c(Br)c1 228179886 WYJWALJYQDQXGP-UHFFFAOYSA-N 291.148 3.550 30 20 CHED Cc1ccccc1CN(C)Cc1cc(C#N)ccc1F 42316435 BQUWMCBTGROGIQ-UHFFFAOYSA-N 268.335 3.638 30 20 CHED COc1ccc(SCCOc2ccc(C#N)cc2)cc1 34651767 YDQPVDMGZJKUMX-UHFFFAOYSA-N 285.368 3.738 30 20 CHED CCOc1ccccc1CNc1ccc(CC#N)cc1 35046252 OSXSUXJYIBJGEQ-UHFFFAOYSA-N 266.344 3.763 30 20 CHED Cc1nc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cs1 36991941 QWRSFGXFAAAMCR-WDEREUQCSA-N 271.389 3.735 30 20 CHED Cc1cccc(C(=O)Nc2ccc(C#N)cc2)c1Cl 162007782 YLTOIHIBPNZJCJ-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C=CCCCCN[C@H](C)c1cccc(NC(C)=O)c1 274598130 PBPJPUODSCVFCN-CYBMUJFWSA-N 260.381 3.652 30 20 CHED CCSc1cccc(NC(=O)[C@@](C)(C#N)CC)c1 285453389 JFDRCTGUUJWLMH-CQSZACIVSA-N 262.378 3.677 30 20 CHED C=C(C)CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 51132954 XEHFEQGFCFBECS-IAGOWNOFSA-N 259.393 3.662 30 20 CHED N#Cc1ccc(OCc2c(F)cccc2F)c(F)c1 182760359 XCZWEFFLWUJOQQ-UHFFFAOYSA-N 263.218 3.555 30 20 CHED COc1cc(CN(C)[C@@H]2CCC[C@H](C)C2)ccc1C#N 300196271 HNSKTZGLXQHWML-XJKSGUPXSA-N 272.392 3.577 30 20 CHED C=CCC[C@@H](CO)N[C@H](C)c1cccc2ccccc12 320185282 AGJHMQBOXGVPBI-ZBFHGGJFSA-N 269.388 3.818 30 20 CHED C[C@](O)(CNc1cc(Cl)ccc1C#N)c1ccccc1 80119594 ADUPKKFVGZLJEH-INIZCTEOSA-N 286.762 3.531 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(C)c1O 436825799 MNPKJZDFHIONOG-UHFFFAOYSA-N 295.382 3.919 30 20 CHED N#CCOc1ccc(NC(=O)c2csc(Cl)c2)cc1 378998937 WLLIOIXGEQDCSI-UHFFFAOYSA-N 292.747 3.556 30 20 CHED C=CCOC(=O)[C@H](C)Sc1ccc(Cl)cc1 916595582 SWTPDPHLKWKTND-VIFPVBQESA-N 256.754 3.550 30 20 CHED C=C(C)CSc1nnc(Nc2ccc(OC)cc2)s1 3500449 UZMSFBOMYPKENS-UHFFFAOYSA-N 293.417 3.959 30 20 CHED C=CCOc1ccc(C(=O)N(CC)CCCC)cc1OC 55527580 FKDJIWIHLIYPHP-UHFFFAOYSA-N 291.391 3.522 30 20 CHED C[C@H](Sc1cc(C#N)ccn1)c1ccc(C#N)cc1 118175733 SHTRSNNXLCKMIY-NSHDSACASA-N 265.341 3.678 30 20 CHED C=CC[C@H](C)NCc1ccc(OC)c(Br)c1 116927478 XGXLCRUHMZGDLR-JTQLQIEISA-N 284.197 3.512 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(CSCC)cc1 116851344 JSFOPIXRDLXTHY-GFCCVEGCSA-N 263.406 3.634 30 20 CHED N#Cc1ccc(CN(C2CC2)[C@H]2C=CCCC2)cc1 171735258 OQXYSVFTEIDJLW-INIZCTEOSA-N 252.361 3.631 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(C)cc1 116973136 QQOOPKDRKMKTFB-ZIAGYGMSSA-N 260.381 3.662 30 20 CHED CN(CCCc1ccccc1)CCOc1ccc(C#N)cc1 58581065 VZGKKKFWHJEFBQ-UHFFFAOYSA-N 294.398 3.502 30 20 CHED N#CC1CCN(CCCOc2ccc3ccccc3c2)CC1 68970218 JVECXEZZAQDFNE-UHFFFAOYSA-N 294.398 3.844 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cscc2C)cc1 176246565 YAFNZMUHUATBHH-UHFFFAOYSA-N 284.384 3.925 30 20 CHED CCCOc1ccc(CNc2nc(C)ccc2C#N)c(C)c1 302626698 BCAUCHCSDBLACV-UHFFFAOYSA-N 295.386 3.971 30 20 CHED CC(C)CCN(CCC#N)Cc1ccc(-n2ccnc2)cc1 173539931 NPINXDZXZHRULP-UHFFFAOYSA-N 296.418 3.634 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cc(F)c(OC)cc1F 179681846 YGBPKOHYWNIHJD-JTQLQIEISA-N 298.333 3.840 30 20 CHED Cc1cc2cc(C(=O)/C=C/c3cnn(C)c3)oc2cc1C 177404061 CHJSNRUYKHNIEV-SNAWJCMRSA-N 280.327 3.679 30 20 CHED Cc1cc2occ(CC(=O)O[C@@H](C)C#N)c2cc1C(C)C 28874550 HKDOTZJVOHFMCP-LBPRGKRZSA-N 285.343 3.862 30 20 CHED CC(C)(C)[C@H]1OCCC[C@H]1CNc1c(C#N)cccc1C#N 302873803 DLGOXRKGTXXIKT-RDJZCZTQSA-N 297.402 3.683 30 20 CHED CCN(C[C@@H](C)C#N)c1cc(C(C)(C)C)nc(C(C)C)n1 302784507 UVYRFNIVYAFNPX-ZDUSSCGKSA-N 288.439 3.883 30 20 CHED C=C[C@@H](C)NCc1ccc(SC(F)(F)F)cc1 123193477 HJDBUHGMGWJGLK-SECBINFHSA-N 261.312 3.963 30 20 CHED CSc1ccccc1CN(C)c1ccc(C#N)cc1 480564746 RKUYYQHWJBLCCU-UHFFFAOYSA-N 268.385 3.917 30 20 CHED C[C@@H](CC#N)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 170945952 JQRWNXHNJQSFNQ-ZJUUUORDSA-N 299.201 3.590 30 20 CHED C[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)o1 136160633 OQUKOMLSGYPHQC-SJCJKPOMSA-N 266.344 3.564 30 20 CHED Cc1cc(C#N)ccc1OCc1nc(-c2ccsc2)no1 112969800 NQBGEIBYASZKDY-UHFFFAOYSA-N 297.339 3.557 30 20 CHED N#Cc1c[nH]c(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 175611212 XMOIPACQMRPURW-KRWDZBQOSA-N 293.370 3.548 30 20 CHED COc1cc(C(=O)/C=C/c2ccc(C)c(F)c2)ccc1O 67427949 YVXPZWCXIOZHRK-FNORWQNLSA-N 286.302 3.744 30 20 CHED C=CCNC(=O)N1CC=C(c2cccc3ccccc23)CC1 63785573 GSXFYPMVRKEYPG-UHFFFAOYSA-N 292.382 3.825 30 20 CHED C[C@H](Nc1ccc(Cl)cc1C#N)C(C)(C)CN(C)C 301643321 OHUAVAYMBHTFGK-NSHDSACASA-N 279.815 3.600 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Oc2ccc(F)cc2F)c1 38921666 LYQUUCPJXQIBNK-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCOC2(CCCC2)C1 127253654 GBMIYXDTAVXKKF-SOUVJXGZSA-N 251.414 3.669 30 20 CHED C[C@@H](NCc1ccc(C#N)c(F)c1)c1cc(F)ccc1F 404566375 BXFYXIILMNPWGS-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C#CCOC(=O)c1cc2sc3ccccc3c2s1 302893894 CDYUQJDZCNIAIJ-UHFFFAOYSA-N 272.350 3.906 30 20 CHED C=CC[C@@H](C(=O)NC[C@H](OC)C(C)(C)C)c1ccccc1 188365321 HTBDUDNPTDFHJZ-CVEARBPZSA-N 289.419 3.524 30 20 CHED Cc1ccc(-c2nnc(SCCCCC#N)[nH]2)cc1 121181352 WPTYXDXUAVRABJ-UHFFFAOYSA-N 272.377 3.566 30 20 CHED C=C(C)CN(C)[C@H](C)C(=O)Nc1cccc2ccccc12 181247184 MFDZMOYJKWUREZ-CQSZACIVSA-N 282.387 3.675 30 20 CHED CC[C@@H](C#N)Sc1nccn1-c1ccc(C)c(C)c1 127240155 HUFOPGDTKFPDIQ-AWEZNQCLSA-N 271.389 3.883 30 20 CHED CC(C)COC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccco1 185806223 FQKUQAJCMFQCOF-HRCADAONSA-N 290.407 3.665 30 20 CHED C=CCN[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 185814650 BKYSBLJYRNLOEJ-GHMZBOCLSA-N 257.299 3.973 30 20 CHED N#Cc1cc(Cl)ccc1CNc1ccc2c(c1)COC2 184500114 RJKZYWRVOAFOON-UHFFFAOYSA-N 284.746 3.854 30 20 CHED CCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 79058112 XIHKIFSKJCQDSI-UHFFFAOYSA-N 282.368 3.734 30 20 CHED C=CCC[C@H](O)CN[C@@H](CCC)c1ccc(F)cc1F 181675269 NSYBCSZAWPNREN-BBRMVZONSA-N 283.362 3.723 30 20 CHED C[C@@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CCC1 418137225 DKZVUXDPYHYIJB-LBPRGKRZSA-N 296.336 3.920 30 20 CHED CCn1cc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cn1 181578318 UOFPFWJLCKKLPT-YOEHRIQHSA-N 282.391 3.599 30 20 CHED C[C@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(C#N)c1 183261454 CWISCLWLVAJZPC-MGHWNKPDSA-N 296.414 3.557 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1ccc(C#N)cc1C(F)(F)F 77961961 PAWPNPKOGDFISY-PWSUYJOCSA-N 298.308 3.947 30 20 CHED CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cc1CC#N 410964236 HJQCWHNHFKBGCW-IUODEOHRSA-N 276.767 3.781 30 20 CHED CC#CCCCC(=O)N1CCCc2c(F)ccc(C)c21 185734695 ONRBNUFHBIJGDE-UHFFFAOYSA-N 273.351 3.607 30 20 CHED C#CCOc1ccc([C@@H](C)NCCCCOC(C)C)cc1 180457094 VHDVQBOVVMPCFS-MRXNPFEDSA-N 289.419 3.554 30 20 CHED C=CCC[C@@H](C(=O)NCc1c(C)noc1C)c1ccccc1 187113176 GECCMIXGYXVAAR-MRXNPFEDSA-N 298.386 3.658 30 20 CHED CSCCCCCNC(=O)Nc1cc(C#N)ccc1C 186705388 ODGLVKGJSNOPQL-UHFFFAOYSA-N 291.420 3.522 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccnc(C)c1Cl 135175268 RLMMGRCGXOFMRF-CYBMUJFWSA-N 252.745 3.584 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1 182651615 MEDICWJTOZXEOY-GJZGRUSLSA-N 259.393 3.726 30 20 CHED N#C[C@@H](C(=O)C1CCCCCCC1)c1ccccn1 76824265 RDPWDAGLSRPVNG-CQSZACIVSA-N 256.349 3.618 30 20 CHED C#CCOc1ccccc1CN[C@H](c1ccccc1)C1CC1 315368987 CMRBQEKKZKFURQ-HXUWFJFHSA-N 291.394 3.940 30 20 CHED CC(C)c1ccc(C(=O)N(CC#N)c2ccccc2)cc1 72679983 YHABBEDLTYDCQF-UHFFFAOYSA-N 278.355 3.980 30 20 CHED C=CCOc1ccc(CNC(=O)N(C)[C@H](C)CCC)cc1 508433671 LVTQUARAGDEYFL-CQSZACIVSA-N 290.407 3.581 30 20 CHED C=C(C)[C@H](NC(=O)CCCC)c1ccc(F)c(F)c1 186069023 QJMPOAQMZHGKSU-HNNXBMFYSA-N 267.319 3.888 30 20 CHED Cc1ncsc1/C=C1\Cc2cc(Cl)ccc2C1=O 78696472 IKYSBLGOUDDMLF-UXBLZVDNSA-N 275.760 3.927 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1cccc(O)c1OC 414530663 DZJGNYLPKYBCQH-QGZVFWFLSA-N 297.398 3.678 30 20 CHED COCC1CCC(N[C@@H](C)c2ccc(C#N)c(F)c2)CC1 414317875 WRAGFCMZKGBCDT-FUJMWEONSA-N 290.382 3.553 30 20 CHED C=CCOc1ccc(OCc2nc(C)cs2)cc1 88521336 FNXXMXZFPYNLRK-UHFFFAOYSA-N 261.346 3.595 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc2sccc2[nH]1 192180876 CCEBBCXSIFYLLV-UHFFFAOYSA-N 281.340 3.662 30 20 CHED CC(C)N(Cc1ccc(C#N)c(F)c1)CC1CCC1 193203848 OLMLLDIBMQGKKR-UHFFFAOYSA-N 260.356 3.708 30 20 CHED CCCCCCCCCCC(=O)NC1(C#N)CC1 160723910 UUDZKVPPDXUCOU-UHFFFAOYSA-N 250.386 3.690 30 20 CHED CC[C@H](C#N)OC(=O)c1oc2ccc(Cl)cc2c1C 84709457 PTNRQNMLGPYJDE-SNVBAGLBSA-N 277.707 3.854 30 20 CHED Cn1ccnc1-c1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 194134533 NEXVOLOICNIBPO-DZGCQCFKSA-N 280.375 3.581 30 20 CHED OC(CC1(O)CCCCC1)=Nc1cnc2c(c1)CCCC2 329476045 UAMGNNOVNQRXOC-UHFFFAOYSA-N 288.391 3.634 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc(OC)c(C)c2)no1 426394374 JDSZJWCDLQLZEW-UHFFFAOYSA-N 272.348 3.907 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1F 49490075 UQRWUFXNQGUJTL-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCSCCNC(=O)c1ccccc1SC(C)C 194477630 ZCOZEQJOUQVYLD-UHFFFAOYSA-N 295.473 3.836 30 20 CHED CCOc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1CO 193536286 ATIIIUAOIVFSCZ-ZDUSSCGKSA-N 296.370 3.622 30 20 CHED C=CCN(CCc1ccccc1)Cc1nc2ccccc2[nH]1 512045624 NTYUMFMBEDXNLI-UHFFFAOYSA-N 291.398 3.794 30 20 CHED COc1cccc([C@H](C)C(=O)Nc2ccc(CC#N)cc2)c1 194402451 KHASSONLVAKXRR-ZDUSSCGKSA-N 294.354 3.503 30 20 CHED COc1cccc(/C=N/[C@H](C)c2ccc(C)s2)c1O 49020794 PYKXUGLKJNMNSI-LKBVRNOZSA-N 275.373 3.951 30 20 CHED C=C(C)COc1ccc(NC(=O)CCC)cc1C(C)=O 89508142 RIVQXNRSLLTWHC-UHFFFAOYSA-N 275.348 3.583 30 20 CHED CC(C)(C)CCCC(=O)NCc1cc(C#N)ccc1F 80794098 MIUWUPONEATFBR-UHFFFAOYSA-N 276.355 3.530 30 20 CHED C=CCC1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCN2)CCCC1 423154601 JSYPYWJKGQTDSW-IXDOHACOSA-N 276.468 3.633 30 20 CHED COc1ccc([C@@H](C)NCC2(CC#N)CC2)c(Cl)c1 424356629 VMPTVRSLZFLZGV-LLVKDONJSA-N 278.783 3.693 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C 192474904 YKTMMRMHCCSXIL-MRXNPFEDSA-N 287.363 3.827 30 20 CHED CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(Cl)s1 191183849 FWXOLLLVXZERLT-UHFFFAOYSA-N 293.823 3.634 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1c(Cl)cccc1OC 191874103 KZYAWFSQZWROFB-HNNXBMFYSA-N 281.783 3.567 30 20 CHED CC(C)c1ccsc1C(=O)N1CCC(CC#N)CC1 334194316 LGOYCFLEWLNCRI-UHFFFAOYSA-N 276.405 3.637 30 20 CHED COCC(C)(C)NC(O)=Nc1ccc2oc(C)c(C)c2c1 331114872 KGJXJOMSQNOVAS-UHFFFAOYSA-N 290.363 3.610 30 20 CHED CCc1ccc(/C=C2/Cc3c(O)cccc3C2=O)cc1 96931939 HBWMMFFIAKGGFO-UVTDQMKNSA-N 264.324 3.777 30 20 CHED C#CCCCC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 192116103 QSPQOEOSQRVHRR-CYBMUJFWSA-N 298.411 3.791 30 20 CHED CCc1nc(C(C)C)ccc1CN(CC)C[C@@H](C)C#N 338944319 DXVMFXNOROULKD-AWEZNQCLSA-N 273.424 3.749 30 20 CHED CCCc1nc(/C(O)=N/[C@@H]2CCCC[C@@H]2C)co1 330836923 XGZFHLPVUYSPKW-WDEREUQCSA-N 250.342 3.510 30 20 CHED C=CCCC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 338664461 MZYUTINQTWJBFU-ZDUSSCGKSA-N 261.365 3.684 30 20 CHED CCN(CC#N)CCCOc1cccc(C(C)(C)C)c1 511590808 BLBXNJHZQPJXHO-UHFFFAOYSA-N 274.408 3.598 30 20 CHED N#CC1(C(=O)N2CC3(CCC3)c3c(F)cccc32)CCCC1 338344783 XPDROFXCDNUNMV-UHFFFAOYSA-N 298.361 3.678 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1ccc(C#N)cc1F 1124134300 MFEBVFNVWHWYCO-GFCCVEGCSA-N 276.355 3.644 30 20 CHED COc1cc(C)ccc1-c1noc(-c2cc(C#N)cs2)n1 432551832 IGYAMPGPGNUDGT-UHFFFAOYSA-N 297.339 3.654 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cc(F)c(OC)cc1F 433273683 KUZXWKLYIVMRQM-UHFFFAOYSA-N 298.333 3.697 30 20 CHED COCCc1ccc(Oc2snc(Cl)c2C#N)cc1 92582372 DEHNPJHCNPACPC-UHFFFAOYSA-N 294.763 3.649 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 333556007 NKAPRSZEAVNYJA-JKIFEVAISA-N 274.408 3.545 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 518925159 DXSICRWKMXBBHE-WDEREUQCSA-N 288.416 3.873 30 20 CHED CC1=C(C)C[C@H](C(=O)N(C)Cc2cccc(C#N)c2)CC1 335471771 PIYGVPGKQFOFMB-QGZVFWFLSA-N 282.387 3.653 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(COCC)c1 432839319 KWQLCARJLVXOCP-UHFFFAOYSA-N 290.407 3.947 30 20 CHED C[C@H]1CCC[C@H](C)N(C(=O)Nc2cccc(CC#N)c2)C1 334982894 VGNCQGCDXMXYMP-KBPBESRZSA-N 285.391 3.795 30 20 CHED N#CC1CCN(C(=O)Nc2csc3ccccc23)CC1 336534484 KZOCAUJLVWGVDI-UHFFFAOYSA-N 285.372 3.669 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](C(C)C)C1 436313665 BUEYUTKEEDPKSQ-CABCVRRESA-N 266.429 3.809 30 20 CHED Cc1cc(C)cc(CCC(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 434018152 XNDNZNOBEIHERU-KRWDZBQOSA-N 298.430 3.777 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cc(C#N)cs1 93689770 PQLIFJWARZENRP-CXAGYDPISA-N 282.412 3.998 30 20 CHED CCN(C[C@H](C)C#N)C(=O)CC(C)(C)c1ccc(C)cc1 97727852 OQBQHRUWKYHDJL-OAHLLOKOSA-N 286.419 3.671 30 20 CHED C=CCC(C)(C)c1noc(-c2ccnn2-c2ccccc2)n1 340782086 UWVFPGADYZXBGF-UHFFFAOYSA-N 294.358 3.776 30 20 CHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(-n2cccn2)cc1 248893352 SXACRZXZJIOVKV-ZMSDIMECSA-N 294.402 3.605 30 20 CHED N#Cc1cccc(C(=O)N[C@@H](c2cccs2)C2CC2)c1 344257187 XDBFUOKACDJSLB-OAHLLOKOSA-N 282.368 3.501 30 20 CHED N#Cc1ccnc(N2CCC(=Cc3ccccc3F)CC2)c1 342554566 VGIYWJGWWFRBRR-UHFFFAOYSA-N 293.345 3.776 30 20 CHED C=CCC(C)(C)c1noc([C@H](C)OC[C@H]2CCCCO2)n1 340780132 SKHDLBBWFNODQL-QWHCGFSZSA-N 294.395 3.570 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(OCCCC#N)c1 528055584 BWJDRJIJTAGTKR-UHFFFAOYSA-N 299.374 3.638 30 20 CHED C[C@@H](NC(=O)N1CCCCC(C)(C)C1)c1ccc(C#N)cc1 527085863 VRYGKEVXBCAQSX-CQSZACIVSA-N 299.418 3.841 30 20 CHED C[C@]1(C(=O)[C@@H](C#N)c2nc3ccccc3o2)C[C@H]2CC[C@H]1C2 528929384 QSLUZWFEALFXPN-JWXAPSBJSA-N 294.354 3.830 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(C)c1O 436760305 APTZIQHVIOIWKU-UHFFFAOYSA-N 295.382 3.837 30 20 CHED N#C[C@H](NC(=O)C1C[C@H]2CCC[C@H](C1)C2)C1CCCCC1 436029541 GDBCPNOVKWGZOG-ZQIUZPCESA-N 288.435 3.791 30 20 CHED C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2cccc(C#N)n2)C1 602474783 RZTFCMCGKLZJPR-FZKQIMNGSA-N 295.361 3.675 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1c(C#N)cccc1C#N 436328681 WJHBQNWPKLJSOH-NSHDSACASA-N 267.254 3.573 30 20 CHED COC[C@@H](NCC(C)(C)CCC#N)c1ccc(F)c(F)c1 348202955 BOOLEWMCNHDXBJ-OAHLLOKOSA-N 296.361 3.572 30 20 CHED N#C[C@H](Sc1ccccc1Br)C1CC1 601074297 OBQDHXNXLBXEEA-NSHDSACASA-N 268.179 3.843 30 20 CHED Cc1ccc(C#N)c(NC[C@H]2SCCc3ccccc32)n1 346818598 CQOKCNHZKXDQGZ-MRXNPFEDSA-N 295.411 3.704 30 20 CHED CN(c1ccc2cc(C#N)ccc2n1)C1Cc2ccccc2C1 525960422 SHLNXQQMCYQVJO-UHFFFAOYSA-N 299.377 3.710 30 20 CHED C=C1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 342180713 NAKDLMHUBTWKGQ-UHFFFAOYSA-N 290.313 3.772 30 20 CHED C=C(CNC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 608837094 OFBNTYZTSLTANZ-XFFZJAGNSA-N 294.354 3.911 30 20 CHED CCOc1ccc([C@@H]2C[C@H]2NCC(C)(C)CCC#N)cc1 603432278 LYVDQRPQGCVOBU-DLBZAZTESA-N 286.419 3.861 30 20 CHED C=CCOc1ccc(C(=O)N2CC[C@H](C)C3(CCC3)C2)cc1 356883413 VDYQKYFFGAXZTC-HNNXBMFYSA-N 299.414 3.904 30 20 CHED COCC1(c2noc(CCCCCC#N)n2)CCCCC1 350431439 HLNJQINRMLDGJM-UHFFFAOYSA-N 291.395 3.544 30 20 CHED C=CCCCC[C@H](C)NCc1nc(-c2ccccc2)no1 449253167 USSQPDBMHDECFR-AWEZNQCLSA-N 285.391 3.961 30 20 CHED CC1(C)Cc2cc(NC(=O)c3cc(C#N)cs3)ccc2O1 268387638 PCDOCNXYJPBKBJ-UHFFFAOYSA-N 298.367 3.586 30 20 CHED C=CCCCC(=O)NCc1cccc(Cl)c1Cl 531359487 IHNCXBGGBVAGCL-UHFFFAOYSA-N 272.175 3.966 30 20 CHED Cc1ccc2[nH]c(CN(C)[C@H](C)CC#N)cc2c1C 352001585 GOIGDEOJWANXOP-GFCCVEGCSA-N 255.365 3.519 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCC1(CC#N)CC1 355845683 NDPMQXMTDBGSAM-KGLIPLIRSA-N 291.439 3.536 30 20 CHED C[C@@H]1C[C@H](CCNC(=O)NCCCCC#N)CC(C)(C)C1 444109346 MBBCFFLQEOWRLE-CABCVRRESA-N 293.455 3.832 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1Cc1cccc(C#N)c1 610001884 KDYKQDKKEUMDDF-RHSMWYFYSA-N 256.393 3.959 30 20 CHED COc1ccc(CSC[C@H](C)C(F)(F)F)cc1C#N 533361841 CWOUSPMWBIZJGQ-VIFPVBQESA-N 289.322 3.998 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 268191385 KTWCEAIXDQOBMN-DLBZAZTESA-N 269.388 3.502 30 20 CHED C=CCn1cccc1C(=O)NC[C@@]1(C)C[C@@H]1c1ccccc1 355063086 XCEJBCFZIZFDQV-VQIMIIECSA-N 294.398 3.598 30 20 CHED C=C[C@H]1CCCCN1c1nccc2cc([N+](=O)[O-])ccc12 450485551 PSXIWWZGEURPIB-ZDUSSCGKSA-N 283.331 3.688 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(C#N)cc2)c1 610162164 CGLFINNCPVJYHU-AWEZNQCLSA-N 293.370 3.792 30 20 CHED N#CCc1cccc(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)c1 456742446 FIPKSNDNRKRBRJ-WMZOPIPTSA-N 290.366 3.885 30 20 CHED N#CCc1ccc(C(=O)Nc2ccc(C3CC3)cc2)cc1 611307630 XREDYRCIBUYWHZ-UHFFFAOYSA-N 276.339 3.882 30 20 CHED Cc1c(F)ccc2c1N(CCCSCC#N)CCC2 452093103 VQIDBVXBGPJWQS-UHFFFAOYSA-N 278.396 3.534 30 20 CHED C=C(C)[C@H](Cc1nc([C@H]2CCCC[C@@H]2C)no1)OCC 273876956 NYXPTSWFCFICIX-IHRRRGAJSA-N 278.396 3.887 30 20 CHED C=CC(C)(C)c1nc(Cc2ccc(OC(C)C)cc2)no1 453098323 XCRFCZFPWBDZPM-UHFFFAOYSA-N 286.375 3.911 30 20 CHED CC(C)N(CCC#N)C(=O)[C@H](C)c1cccc(Cl)c1 610239616 SEXQRWDQJLBZQK-GFCCVEGCSA-N 278.783 3.594 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccsc2Cl)C1 617778244 BJBVWVZKZSMCOO-JTQLQIEISA-N 269.797 3.830 30 20 CHED CC#CC(=O)N[C@H](CCC)c1cccc(C(F)(F)F)c1 277293093 ALRGXFUXGUFGEJ-CYBMUJFWSA-N 283.293 3.686 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@@H]1c1cccc(F)c1 610728863 QOEXTGUSIQHUGU-QGZVFWFLSA-N 284.309 3.783 30 20 CHED Cc1cccc2c1CC[C@@H]2Nc1nc2ccccn2c1C#N 542042875 OPQGEEFPTRTQQY-HNNXBMFYSA-N 288.354 3.614 30 20 CHED C=CCN(CC=C)Cc1cc(-c2ccc(OC)cc2)no1 613416759 YFLHQEFFMZQVBU-UHFFFAOYSA-N 284.359 3.524 30 20 CHED CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccncc1 271928941 HFSMWRUQUFSBEM-SJKOYZFVSA-N 283.350 3.894 30 20 CHED C=C(C)CCNC(=O)CCc1ccc2ccccc2c1O 452728722 DJWDETFYVUZGMF-UHFFFAOYSA-N 283.371 3.560 30 20 CHED CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CC#N)CC1 541916684 YWUVMQUGMZYKRL-CVEARBPZSA-N 291.439 3.681 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 455375028 YUDAIEMEDRQEKM-CQSZACIVSA-N 290.382 3.537 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1c(C)cccc1C)OCC 270148145 HHVIVBGXWBDJAZ-CQSZACIVSA-N 261.365 3.613 30 20 CHED C=CC(C)(C)CNC(=O)N1CC[C@H](c2cccc(C)c2)C1 455391334 WZHQUHPANKGPHG-INIZCTEOSA-N 286.419 3.706 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccccc1C(C)(F)F 452688926 ZYXRZEVOTVHTHS-LLVKDONJSA-N 283.318 3.718 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)Nc2cccc(CC#N)c2)CC1 455902743 HLDUQAOFMZGJDA-DZGCQCFKSA-N 285.391 3.843 30 20 CHED C=CCC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccco1 453332546 AXQHVAUELXKXHI-IHRRRGAJSA-N 271.364 3.779 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc2scnc2c1)OCC 270099385 QDSJADJCZFCKEC-CYBMUJFWSA-N 290.388 3.606 30 20 CHED C=CCC[C@@H](C)NC[C@@H]1CCO[C@H]1c1ccccc1 277151948 QIQIYUUKIKOABK-PVAVHDDUSA-N 259.393 3.709 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CCC(C)C)C1CC1 549232776 HFYSVDZKCNQRMF-ULQDDVLXSA-N 265.441 3.772 30 20 CHED Cc1cn(Cc2cccc(C(=O)OC(C)(C)C)c2)cc1C#N 548836464 KRCDVFUHMLYRDM-UHFFFAOYSA-N 296.370 3.672 30 20 CHED C=CC[C@@H](CC)Nc1cccc(C(=O)OC(C)(C)C)n1 549560768 MIWMVKOQMNVQRN-GFCCVEGCSA-N 276.380 3.804 30 20 CHED CCN(C(=O)c1ccc(F)c(C#N)c1)c1cc(C)cc(C)c1 548084122 VWNMWEJHARWINT-UHFFFAOYSA-N 296.345 3.981 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 540526970 ZHNWSGMKPSZBBO-RYUDHWBXSA-N 297.345 3.593 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1OCC1CC1 466541037 QBMIEBIRLCDGNP-AWEZNQCLSA-N 273.376 3.560 30 20 CHED C#CCCCCC(=O)N1CC(C)(C)[C@H]1c1cccs1 288246276 GJRIYTBVNDKSEE-OAHLLOKOSA-N 275.417 3.851 30 20 CHED Cc1nn(C)cc1[C@@H]1CCCN1CCCCC(C)(C)C#N 375403356 JSHJKQGTYBSVOG-INIZCTEOSA-N 288.439 3.586 30 20 CHED CC#CCCCC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 466427006 YNSYEYGQARZQDW-LBPRGKRZSA-N 291.341 3.604 30 20 CHED C[C@@H]1CN(c2nc(Cl)c(C#N)s2)[C@H]2CCCC[C@H]12 286771638 IGEDNLTVJUQORU-BBBLOLIVSA-N 281.812 3.683 30 20 CHED CCN(C(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1F 463387812 ICHWVORUYIHZAS-CYBMUJFWSA-N 296.345 3.854 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 620858331 DXCXBZQGBWDYRQ-OCCSQVGLSA-N 293.357 3.929 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)C1CCC1 460060326 KVOVOVKEDRAGGK-UHFFFAOYSA-N 296.414 3.899 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 464757069 UAFFYLCIUFLRRF-SMDDNHRTSA-N 280.799 3.911 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(CC)CCCC 460931000 GHQJNLHHGRLOGQ-UHFFFAOYSA-N 276.428 3.748 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1cccc(NC(=O)OC)c1 287315698 FFNPCHZDJXLSNU-OLZOCXBDSA-N 276.380 3.555 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 280302703 XYLYTRRRHXDNSB-OKILXGFUSA-N 284.403 3.891 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1nc2c(C)cc(C)cc2s1 284881735 FXKJMDOHELEPTN-OAHLLOKOSA-N 287.388 3.792 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N(CC)CC1CC1 460386245 JVTZUACIJHZTCW-ZDUSSCGKSA-N 276.428 3.604 30 20 CHED C=CC[C@@H](c1ccccc1)c1nc(COC2CCC2)no1 634670148 IJXALQLIRZYSPZ-HNNXBMFYSA-N 284.359 3.847 30 20 CHED CC(C)C(=O)Nc1cccc(NCCC(C)(C)C#N)c1 288645363 DJBQPHWLMGDMAM-UHFFFAOYSA-N 273.380 3.633 30 20 CHED C=CCCN(C)Cc1c(F)cccc1Br 467284967 ALPWHTDGMPCLEC-UHFFFAOYSA-N 272.161 3.596 30 20 CHED CCC(C)(C)CNC(=O)c1ccc(C(C)(C)C#N)cc1 281445423 CEZCIZLHEDGKOL-UHFFFAOYSA-N 272.392 3.654 30 20 CHED C=CC[C@H](C(=O)N1CCC(C)(F)CC1)c1ccccc1 634360177 CETSRNSFZMKZGF-HNNXBMFYSA-N 275.367 3.697 30 20 CHED CO[C@H](C1CC1)[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 388356429 QVRFLVMPKOUEGC-OTYXRUKQSA-N 298.308 3.802 30 20 CHED C=CCCC1(C(=O)N=c2cc(C3CCCCC3)[nH][nH]2)CC1 476232475 OAUAWIYDMLAXIP-UHFFFAOYSA-N 287.407 3.564 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc(-n2cncn2)cc1 293643063 HHBKOQAGDYCBSO-AWEZNQCLSA-N 284.407 3.520 30 20 CHED Cc1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)sc1C 557900112 NXOHITFANVWGBA-MRXNPFEDSA-N 290.432 3.957 30 20 CHED C=CCn1cccc1C(=O)N1CCc2cc(Cl)ccc21 552960528 UAQTUARFKIMYMZ-UHFFFAOYSA-N 286.762 3.530 30 20 CHED C=C(CN[C@H](C)c1cccc(O)c1)c1ccccc1 383487918 RJMXVXRJZFYIGN-CQSZACIVSA-N 253.345 3.756 30 20 CHED C=CCCC1(C(=O)NC[C@@H](SC)C(C)(C)C)CC1 476610217 MFOVFXXIAVRUKV-GFCCVEGCSA-N 269.454 3.627 30 20 CHED CC#CC(=O)NCC1(Sc2ccc(C)cc2)CCCC1 801165832 AHURAEILJCYPOC-UHFFFAOYSA-N 287.428 3.539 30 20 CHED C=CCOCCCN1CCCC(C)(C)[C@H]1CC=C 470870103 PQNPAFTWOCXENK-OAHLLOKOSA-N 251.414 3.646 30 20 CHED C=CCOCCCN1CCCC[C@@H]1c1ccc(CC)o1 470781992 ZXURGMRGPRUOFD-MRXNPFEDSA-N 277.408 3.962 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@H](CCC)C(C)C 479692785 ORVWQIVYRAVTHR-MRXNPFEDSA-N 289.419 3.940 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2cccc(C)c2)no1 290098615 DQCWQBBFQXXUGQ-MRXNPFEDSA-N 272.348 3.525 30 20 CHED C=C(C)CCc1noc(Cc2ccc(Cl)s2)n1 567963650 FZEMHCGYXQRQPV-UHFFFAOYSA-N 268.769 3.884 30 20 CHED N#Cc1cc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)ncn1 562421414 LDQHQMPIAFBTGL-MRXNPFEDSA-N 298.777 3.955 30 20 CHED C=CC[C@H](C)N[C@@H]1CC(C)(C)c2cc(OC)ccc21 474070259 ZDHREFYKVAPHRN-BLLLJJGKSA-N 259.393 3.972 30 20 CHED C=CCC(C)(C)C(=O)N1CC[C@H](COc2ccccc2)C1 293503807 OYWFRPQBRDGEMI-HNNXBMFYSA-N 287.403 3.516 30 20 CHED CC(C)C(Cn1cccn1)=NNc1ccccc1Cl 802703459 GKGPGQIKCJDKAI-UHFFFAOYSA-N 276.771 3.661 30 20 CHED N#Cc1ccc(F)c(CNc2ccc([C@@H]3CCOC3)cc2)c1 297677364 LIULPLVHDCRKEU-OAHLLOKOSA-N 296.345 3.813 30 20 CHED C=C[C@H](C)N[C@H](C)c1ccc(Br)c(F)c1 389980897 IVRZRDOXMVUECM-DTWKUNHWSA-N 272.161 3.813 30 20 CHED CC#CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 801181376 MZYQLIVZAXUQDJ-UHFFFAOYSA-N 296.197 3.555 30 20 CHED C=CCCCCNC(=O)N[C@H](c1ccccc1)C1CC1 472830545 JRFPRSWPEZQAQV-MRXNPFEDSA-N 272.392 3.793 30 20 CHED CCCCN(C(=O)Nc1scc(C)c1C#N)C1CC1 567120884 QRULSMANDQEVPM-UHFFFAOYSA-N 277.393 3.725 30 20 CHED C=CC[C@H]1N(C(=O)[C@H]2Cc3ccccc3O2)CCCC1(C)C 470267376 PUPORJDOQQOGNT-IAGOWNOFSA-N 299.414 3.583 30 20 CHED C=CC[C@@H]1N(C(=O)c2ncoc2C2CC2)CCCC1(C)C 295471426 WNKFGSLWHJRRKM-ZDUSSCGKSA-N 288.391 3.759 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H]1CC[C@@H]1C1CC1 806159223 ZXCDVOLYUFHQOB-BNOWGMLFSA-N 256.349 3.578 30 20 CHED C#CCCOc1ccc(CNc2cccc(SC)n2)cc1 804610842 VBPXTTSBZNPZJF-UHFFFAOYSA-N 298.411 3.818 30 20 CHED C=CC[C@H](C(=O)N1CCC(F)(F)[C@H](C)C1)c1ccccc1 290957870 PTNURFQNCOVDRW-HIFRSBDPSA-N 293.357 3.850 30 20 CHED CC#CCN(C)C(=O)c1cnc(-c2ccc(C)cc2C)s1 647540861 MYEYKKANROKGAE-UHFFFAOYSA-N 298.411 3.522 30 20 CHED CCCC[C@H](C)N(C)C(=O)c1cc(C#N)ccc1Cl 291176608 HVEDCRDRCIDEEW-NSHDSACASA-N 278.783 3.862 30 20 CHED C=CCCCC(=O)OC[C@@H](OC)c1ccc(Cl)cc1 801276849 GAPBDSNHQCYLET-CQSZACIVSA-N 282.767 3.927 30 20 CHED CC[C@@H](CNc1cccnc1C#N)Oc1ccccc1C 562240230 UFBWMVYZCAGSPI-AWEZNQCLSA-N 281.359 3.531 30 20 CHED CC(C)(O)c1ccc(C=NN[C@@H]2CCCCC2(C)C)cc1 807986243 ZJMGYKSVXJVJCA-MRXNPFEDSA-N 288.435 3.806 30 20 CHED C=C(C)COC(=O)c1sc(-c2cccs2)nc1C 804646254 VGRLBGVCQITQPW-UHFFFAOYSA-N 279.386 3.913 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCc1cccc(Cl)c1 562353026 LSWCOXMQEYSTKN-OAHLLOKOSA-N 277.795 3.840 30 20 CHED CCN(CCc1ccc(F)cc1Cl)C[C@H](C)C#N 564763482 XHYAJEVUFNXHOH-LLVKDONJSA-N 268.763 3.503 30 20 CHED C#Cc1ccccc1CC(=O)Nc1cccc(Cl)c1F 810551273 RHBWVVPYKQHBCH-UHFFFAOYSA-N 287.721 3.642 30 20 CHED C=CCCCCCCCN1C(=O)[C@@H](CC)N(C2CC2)C1=O 811841337 BMTYYPUPZKCDEM-OAHLLOKOSA-N 292.423 3.718 30 20 CHED COC(=O)c1csc(SCCCCC(C)(C)C#N)n1 814789364 DUTUOUZLESMLAL-UHFFFAOYSA-N 298.433 3.742 30 20 CHED Cc1cc(NN=C[C@H]2CCOC2)nc2ccc(Cl)cc12 812443267 PMOLBTSSSQEIEI-LLVKDONJSA-N 289.766 3.631 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ncccc1Cl 814810360 JDPQRELATUNNLW-SNVBAGLBSA-N 276.771 3.853 30 20 CHED CCC(=NO[C@@H]1CCCCO1)c1ccccc1OC(F)F 814887441 IMNVUYWDEJFXSA-CQSZACIVSA-N 299.317 3.945 30 20 CHED C=CCC1(NC(=O)c2ccnc3ccncc23)CCCCC1 654020824 HGHPRPGUMLCUKN-UHFFFAOYSA-N 295.386 3.639 30 20 CHED C[C@@H](COCc1ccccc1)COc1ccc(C#N)cc1 719613760 SEDLYEHXUUNDCJ-HNNXBMFYSA-N 281.355 3.790 30 20 CHED C#CCC1(OC(=O)c2nc3ccccc3cc2Cl)CCC1 810747305 OROXNRNEOMZFLB-UHFFFAOYSA-N 299.757 3.991 30 20 CHED CCn1cc(C(=O)/C=C/c2cccc(C3CC3)c2)cn1 817346951 ZGLQXNLVQZJAKW-RMKNXTFCSA-N 266.344 3.677 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCCC[C@@H]1C 651793126 ZTHHZUBDWDSHEH-FZKCQIBNSA-N 251.414 3.526 30 20 CHED Cc1cc(CN(C)CCOc2ccccc2F)ccc1C#N 486811785 MVFMNUQUKYHZCE-UHFFFAOYSA-N 298.361 3.517 30 20 CHED CCCCCCCC(=O)Nc1cc(C2CC2)n(C)n1 811609277 CWGBWJKIGAIIEQ-UHFFFAOYSA-N 263.385 3.597 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccccc1Cl 488837711 LJHALIQMTIGORS-CHWSQXEVSA-N 293.794 3.674 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCc1ccc(OC)cc1 488860905 QRODNHARTSAIJS-MRXNPFEDSA-N 287.403 3.585 30 20 CHED Cc1cccc(F)c1NN=Cc1nc2c(s1)CCC2 814904932 FWZLBDZMBREZIY-UHFFFAOYSA-N 275.352 3.525 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)C[C@H](C)CC)cc1 571578108 FIJKDVJGTXFSJX-CJNGLKHVSA-N 272.392 3.708 30 20 CHED C=C(C)CN[C@H](C)[C@@H](OC)c1ccccc1Cl 481376595 JRWOADGNMZZNDY-BXUZGUMPSA-N 253.773 3.582 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1OC 488379285 LLKAMWXXMNYYDR-LLVKDONJSA-N 294.782 3.921 30 20 CHED C[C@H](CCC1CCCCC1)NCc1cc(C#N)n(C)c1 480352085 CWCPSKBWVIEHDY-CQSZACIVSA-N 273.424 3.735 30 20 CHED c1ccc(CCCNN=C2CC[C@@H]2C2CCC2)cc1 814837989 UGYJHXXLUVIASM-MRXNPFEDSA-N 256.393 3.775 30 20 CHED CN1/C(=C\C=NNC2CCCC2)C(C)(C)c2ccccc21 727652984 ZGZCCIFEFPQXBQ-NCZPOJDWSA-N 283.419 3.816 30 20 CHED CC(C)OCCON=C1CC(c2ccc(F)cc2)C1 812237534 FIVVTPAYFVCFOT-UHFFFAOYSA-N 265.328 3.501 30 20 CHED CC[C@H](C)[C@@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 726478760 QECGIUIBASJQDX-VHSXEESVSA-N 295.839 3.933 30 20 CHED Cc1cccc2c1C/C(=C/c1cccc3c1OCCO3)C2=O 729151389 SFZIEHXGUCXHCF-UVTDQMKNSA-N 292.334 3.589 30 20 CHED C=CCCN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 658115247 ABFRKXRTFQXDOK-NSHDSACASA-N 257.299 3.802 30 20 CHED CC[C@@H](NCC[C@H](C)N1CCCCC1)c1ccc(C#N)cc1 571610343 AXZFKBFAXYKSHE-QFBILLFUSA-N 299.462 3.863 30 20 CHED COc1cc(CN[C@@H](c2cccs2)C2CC2)ccc1C#N 579651459 GZCYLHMERZMPRM-QGZVFWFLSA-N 298.411 3.869 30 20 CHED Cc1ccc(-c2cnn(Cc3ccccc3C#N)c2)cc1 498646129 LNZUWMJAROXKAU-UHFFFAOYSA-N 273.339 3.779 30 20 CHED C=CCC1(CNC2CCN(CC3CC3)CC2)CCCC1 571748421 QFRXXCHGEGGGJZ-UHFFFAOYSA-N 276.468 3.587 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 822276957 JQVUZJMEXXFUAQ-BFHYXJOUSA-N 293.432 3.687 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 498105969 DNLTXFZXURLDPR-RRFJBIMHSA-N 264.413 3.563 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1sc(-c2ccccc2C)nc1C 491628423 OJWHTECSDSTJEP-GFCCVEGCSA-N 298.411 3.521 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(C#N)cc1 727972881 JHEBLVCFYHCSIZ-UHFFFAOYSA-N 294.314 3.611 30 20 CHED CC(C)CC[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cn1 727256387 ZFIHFZKHHVCMHU-GFCCVEGCSA-N 290.367 3.994 30 20 CHED CC[C@H]1c2ccccc2CCN1C(=O)C#Cc1cccs1 825945050 IQNNWQVYQBFSOR-KRWDZBQOSA-N 295.407 3.636 30 20 CHED C/C=C/c1ccc(Nc2nnc(C)c(C)c2C#N)cc1 588844609 WUPQDUGKRSNODJ-SNAWJCMRSA-N 264.332 3.742 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1cccc(C#N)c1 588795191 SWUDYZZXGLWTBQ-YOEHRIQHSA-N 298.430 3.774 30 20 CHED CCC(C[C@@H](C)CC)=NNc1ccccc1S(C)(=O)=O 731932834 DEBPKJCIJPAILK-LBPRGKRZSA-N 296.436 3.704 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC(CC#N)CC1 821816471 NVSQVEWZYUZYOX-SFHVURJKSA-N 298.430 3.716 30 20 CHED N#CCCCCCC(=O)NCCCc1ccc(Cl)cc1 588154994 VCTFDEOSKWAEJQ-UHFFFAOYSA-N 292.810 3.863 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CCC(C)C 491911469 JXHLGJRMSOSAEH-ZIAGYGMSSA-N 252.402 3.561 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@H](C)CCC2CC2)C1 661037404 KEYDHWGPVWDADC-ZFWWWQNUSA-N 264.413 3.563 30 20 CHED C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2o1 908636070 OXGVNLDQTRQQRP-AWEZNQCLSA-N 297.354 3.573 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(C)cs1 732898894 KOWWEIUIQFNAOX-HUUCEWRRSA-N 298.411 3.897 30 20 CHED N#CCc1cccc(C(=O)OCCCCC2(C#N)CCC2)c1 908918958 XQGXALJPFOKEQQ-UHFFFAOYSA-N 296.370 3.774 30 20 CHED C=CCC1(C(=O)OCCCc2cscn2)CCCC1 835393242 ASHVVEYJAVJRES-UHFFFAOYSA-N 279.405 3.755 30 20 CHED C#CCOc1cccc(OC(=O)c2ccc(Cl)s2)c1 730498890 YVZDTESORAEJCA-UHFFFAOYSA-N 292.743 3.633 30 20 CHED C=C(C)CCNC(=O)Nc1cc(Cl)c(N)c(Cl)c1 836549343 IZPLSDQJLQRHLL-UHFFFAOYSA-N 288.178 3.663 30 20 CHED COc1cc(Cl)c(NC(=O)C#CC(C)(C)C)cc1C 837656000 MQDVOJWYGPNFMR-UHFFFAOYSA-N 279.767 3.645 30 20 CHED CC[C@@H](C)[C@H](C=NNc1cccc(C(F)(F)F)n1)OC 834959587 VHBWDVBLCYQLJA-ZJUUUORDSA-N 289.301 3.559 30 20 CHED COc1ccc(CCNN=C(C)CSC(C)(C)C)cc1 737440861 SQFJPOZWFAECED-UHFFFAOYSA-N 294.464 3.735 30 20 CHED C#CCN(C(=O)c1sccc1SC)C1CCCCC1 730485825 BSQLDURQMBCOHP-UHFFFAOYSA-N 293.457 3.878 30 20 CHED CC(C)(C(=O)OCc1ccc(CC#N)cc1)C1CCC1 835273488 MOGSYERVZIHUQK-UHFFFAOYSA-N 271.360 3.622 30 20 CHED C=C[C@H](C)NC(=O)Nc1csc(-c2ccccc2)n1 672828714 DSCTYRHJGHBHHT-JTQLQIEISA-N 273.361 3.506 30 20 CHED COc1cccc(C=NNc2cc(F)c(F)cc2F)c1 734301677 KTFHYJVPDRZYRU-UHFFFAOYSA-N 280.249 3.559 30 20 CHED Oc1ccc([C@H]2CCCN2CC#Cc2ccc(F)cc2)cc1 676633132 XCXYZMBCWORLGL-LJQANCHMSA-N 295.357 3.720 30 20 CHED C=CCCCC(=O)NC[C@H](C)Cc1ccc(OCC)cc1 837223340 IUUBQSMLONISQZ-OAHLLOKOSA-N 289.419 3.736 30 20 CHED C[C@@H]1CC[C@H](OC(=O)/C=C/c2ccccc2C#N)[C@H](C)C1 736029531 SGKVEBCXJAHPHQ-JRQYMDJUSA-N 283.371 3.939 30 20 CHED C=CC[C@@H](CC)NC(=O)NCC[C@@]1(C)CC1(Cl)Cl 836441566 JIGILVFALWKDPF-PWSUYJOCSA-N 293.238 3.614 30 20 CHED C#CCC[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1sccc1C 839036630 FOGMEFSRZISXLM-RWMBFGLXSA-N 262.374 3.505 30 20 CHED C=C(C)CCNC(=O)N[C@@](C)(CC)c1ccccc1 838358911 RBRAIKQHWYMKFM-INIZCTEOSA-N 260.381 3.577 30 20 CHED CC(C)Cc1nc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cs1 839047991 KKPQNIUKZHHRID-NEPJUHHUSA-N 292.404 3.581 30 20 CHED C[C@H]1C[C@@H](NN=C2CCCC23CCCCC3)CCO1 834969919 JVWNWCZCVHUDDL-KBPBESRZSA-N 264.413 3.634 30 20 CHED COc1ccccc1C(C)=NNc1cccc(C)c1 916256253 SHFLZPPUFYAXRK-UHFFFAOYSA-N 254.333 3.840 30 20 CHED C#Cc1ccc([C@@H](OC(=O)/C(C)=C/C)C(F)(F)F)cc1 836081915 ZOCHJYQDVPLZEP-MQSIBISMSA-N 282.261 3.781 30 20 CHED CC[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 839056490 MGTHWUHJHXOFTP-IMJJTQAJSA-N 271.360 3.806 30 20 CHED C[C@H](NC(=O)C#Cc1ccccc1)c1ccccc1Cl 747200537 ZDCWYDUFINDARD-ZDUSSCGKSA-N 283.758 3.569 30 20 CHED CSC[C@H](C)COC(=O)c1ccc(C(C)(C)C#N)cc1 835675528 CKMUCSZXSINTOX-GFCCVEGCSA-N 291.416 3.644 30 20 CHED CCn1cc(C=NNCc2ccccc2)c2ccccc21 915049901 WOWWHVCHDGVCSM-UHFFFAOYSA-N 277.371 3.785 30 20 CHED N#CCCCCOC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 747516997 PUDOCTVWZUAVQK-KGLIPLIRSA-N 277.751 3.681 30 20 CHED C=CCCSCCNC(=O)c1cccc(C)c1Cl 597969367 YCXBOCLWRREMSG-UHFFFAOYSA-N 283.824 3.688 30 20 CHED N#CCCCSCCc1nsc2ccccc12 596382443 YBVNTYRKGNHKNU-UHFFFAOYSA-N 262.403 3.876 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C/c1cnn(C)c1Cl)C2=O 848643501 ZADXTGJXTFITRN-GHXNOFRVSA-N 286.762 3.513 30 20 CHED C=C(Cl)CNC(=O)c1sc2ccc(OC)cc2c1C 742080036 OGPZCGQUKNILIB-UHFFFAOYSA-N 295.791 3.701 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N/CCCC2CCCC2)c1 918154060 BFBHBNLRSWYXHE-LFIBNONCSA-N 276.336 3.690 30 20 CHED C#C[C@H](OC(=O)[C@@H](CCC)c1ccccn1)c1ccccc1 842363284 FAXZPOOYRHZCEE-WMZOPIPTSA-N 293.366 3.883 30 20 CHED C=C(C)CCOC(=O)c1ccn(-c2ccccc2Cl)n1 744299975 NBYJWGPPTIQSDY-UHFFFAOYSA-N 290.750 3.649 30 20 CHED C[C@H](C/N=C/c1cc2ccccc2nc1O)CC(F)(F)F 840714153 XPOJFCGNFFKCFZ-XPAGJJBOSA-N 296.292 3.948 30 20 CHED CCN(C(=O)c1ccc(C=NOC)cc1)c1ccccc1C 918617513 UOIBDMDRNFUEGC-UHFFFAOYSA-N 296.370 3.642 30 20 CHED C=CCN(C(=S)Nc1cc(C)ccc1C)[C@@H](C)COC 849277477 YVSMRLQBKGDPAZ-AWEZNQCLSA-N 292.448 3.523 30 20 CHED CCCN(CC1CCCCC1)C[C@@H](O)CC(C)(C)C#N 598586443 VFCROXBNFJEQAY-INIZCTEOSA-N 280.456 3.579 30 20 CHED C[C@H](CCc1cccn1C)/N=C\c1cc(Cl)ccc1O 741845870 YLZQYVDGZOUZOB-OTWJJXBCSA-N 290.794 3.824 30 20 CHED COc1ccc2c(c1)O/C(=C/c1ccc(F)cc1F)C2=O 749133083 UIVDMXCWYCDOLT-GIDUJCDVSA-N 288.249 3.590 30 20 CHED C=CCCSCCNC(=O)Nc1ncsc1C(C)C 596907550 JMHDKGCIYWHUDU-UHFFFAOYSA-N 299.465 3.697 30 20 CHED CCC1(C(=O)OCCC2(C#N)CCCCC2)CCOCC1 840417475 IJNUABATHDHNPH-UHFFFAOYSA-N 293.407 3.601 30 20 CHED C[C@@H]1CC[C@H](c2noc([C@H](C)Cc3ccc(C#N)cc3)n2)O1 599177946 WHTNOGCHCSJUIP-LALPHHSUSA-N 297.358 3.527 30 20 CHED CCCC[C@H](CCC)NC(=O)N1CCC[C@H](CC#N)C1 595536266 XLNSAYGHCCHMDN-CABCVRRESA-N 279.428 3.681 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCC(C)(C)CCC#N 847701862 GGTOCVUUOBTWIX-AWEZNQCLSA-N 298.386 3.610 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)NCC2CCC(C#N)CC2)C1 595607617 UFRRECIWNHIXEH-WXLSXGNJSA-N 291.439 3.536 30 20 CHED C[C@@H]1CC(=NNCCc2ccccc2F)C[C@@H](C)C1 747765607 FEPPACDHNPLHOV-STQMWFEESA-N 262.372 3.770 30 20 CHED CC/C(C)=C(\C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 841369243 ZCJURLMSQKWBRW-UJGDBWEASA-N 282.387 3.798 30 20 CHED Cc1cc(NCC2(C#N)CCC2)c(Cl)cc1[N+](=O)[O-] 842053363 SNPUNSVIZLGKMT-UHFFFAOYSA-N 279.727 3.662 30 20 CHED CC(C)(CC#N)CNC(=O)N1CC[C@@H](C2CCCCC2)C1 595650488 ZBVFAIDUXVFUJD-OAHLLOKOSA-N 291.439 3.538 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)c1nc([C@@H]2CCCS2)no1 594528716 CRUMCUSWIUCTSN-RISCZKNCSA-N 299.399 3.856 30 20 CHED C[C@@H](N[C@H](C)C1(Br)CC1)c1cccc(C#N)c1 925186126 TXGCPNCWTOWEGU-GHMZBOCLSA-N 293.208 3.525 30 20 CHED C[C@H](OC(=O)CCCc1cccnc1)c1cccc(C#N)c1 849860350 BECYGQQSAINOMJ-AWEZNQCLSA-N 294.354 3.580 30 20 CHED C#CCNC(=S)Nc1ccc(Oc2ccc(C)cc2)cc1 758176701 RJCOLLNVBVEDQJ-UHFFFAOYSA-N 296.395 3.707 30 20 CHED CCOc1cc(CN[C@@H](C)CC(C)(C)C#N)ccc1OC 925067561 OQDXLFMAGYXJLD-ZDUSSCGKSA-N 290.407 3.512 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(C(C)(C)O)cc1 926518934 BZQKTAGLEIXOPO-CYBMUJFWSA-N 261.409 3.777 30 20 CHED CCCCCCCCCCC(=O)N1CCc2c[nH]nc2C1 750720920 JVYGVDFXPPWVIC-UHFFFAOYSA-N 291.439 3.825 30 20 CHED C=C(Cl)CSCC(=O)Nc1ccc(C)cc1F 853782511 DKXGUQQDDYTJQD-UHFFFAOYSA-N 273.760 3.558 30 20 CHED Cc1cccc(C)c1C=NNc1nc2ccccc2[nH]1 755488541 OHVZLRNGQBNZQI-UHFFFAOYSA-N 264.332 3.626 30 20 CHED Fc1c(Cl)cccc1NN=Cc1cn2ccccc2n1 921137838 NYNWQOLWCMGTBF-UHFFFAOYSA-N 288.713 3.573 30 20 CHED C(=NO[C@@H]1CCCCO1)c1cccc(OC2CCCC2)c1 755818833 UOGJTPYRAVODKF-QGZVFWFLSA-N 289.375 3.885 30 20 CHED CCC[C@@H](NC(=O)c1cc(C#N)ccc1F)C(C)(C)C 854780067 NYTBEXIYLNBKEB-CQSZACIVSA-N 276.355 3.642 30 20 CHED COc1ccc(CCC(C)=NNc2cc(C)ccn2)cc1O 754950738 UKSFDWVYVZCUDK-UHFFFAOYSA-N 299.374 3.525 30 20 CHED C=CC[C@@H]1CCCC[C@H]1OC(=O)c1coc(CC)n1 851143257 KDJSEVMHZQMDRV-DGCLKSJQSA-N 263.337 3.529 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccccc1OC(C)C 682415672 PESMBKUNDQLUOJ-AWEZNQCLSA-N 290.407 3.752 30 20 CHED C#C[C@](C)(CC)NC(=O)c1cccc(-c2csc(C)n2)c1 854697430 BSVHIBANTFSPEQ-QGZVFWFLSA-N 298.411 3.650 30 20 CHED C#C[C@@H](CC)NC(=O)c1sc(C2CCCCC2)nc1C 754367874 DBHQWZPEOALULM-ZDUSSCGKSA-N 290.432 3.641 30 20 CHED COc1cccc2c1C/C(=C/c1cc(F)ccc1F)C2=O 759664230 JVJMPKGQIDBWHS-XFFZJAGNSA-N 286.277 3.796 30 20 CHED COc1cc(/C=C\C(=O)c2cc(C)ccc2O)cc(OC)c1 757467336 DMQDQVZWNFPEHA-ALCCZGGFSA-N 298.338 3.614 30 20 CHED O=C1/C(=C/c2ccc(F)cc2F)Cc2c(F)cccc21 921263958 MDAZITGUJHFJFT-UXBLZVDNSA-N 274.241 3.926 30 20 CHED C#CC[C@@H](NC(=O)N[C@H](C)CCC(C)C)c1ccccc1 757058326 CVWKXFDTOWJHPW-NVXWUHKLSA-N 286.419 3.875 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@@]12CCc1ccccc12 851210840 YRBAOGGVUIISSR-ACWOFJMJSA-N 297.398 3.762 30 20 CHED C=CCCc1noc([C@@H](CC)N(C)C(=O)OC(C)(C)C)n1 854063467 APLYFIFWCJHQJU-LLVKDONJSA-N 295.383 3.506 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)Cc1c(C)noc1C 851140995 DZEBKQBQGWADLH-ZFWWWQNUSA-N 277.364 3.512 30 20 CHED C=C(Cl)CN(CCN(CC)CC)Cc1cccs1 755063063 PFJJEOJJCIUDMJ-UHFFFAOYSA-N 286.872 3.644 30 20 CHED C#Cc1cccc(NC(=O)N[C@H](C)CCCC(F)(F)F)c1 755211529 MRUPKEIIRKRZRE-LLVKDONJSA-N 298.308 3.911 30 20 CHED O=C1/C(=C/c2ccc(F)cc2F)COc2c(F)cccc21 921266241 LLJVRDSUXCECQR-UXBLZVDNSA-N 290.240 3.763 30 20 CHED C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc2ccccc12 852099012 BFWWYYVNJPJBPD-AUUYWEPGSA-N 294.398 3.558 30 20 CHED C#CCCCCNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 758691794 XIXTWQDNVJJRFS-HNNXBMFYSA-N 292.810 3.894 30 20 CHED CCC(=NNc1ccc(OC)cc1)c1ccc2c(c1)CCO2 750924211 LVQRKRHBWKLTHH-UHFFFAOYSA-N 296.370 3.856 30 20 CHED C=CCCN[C@@H](C)c1ccc(OC)c(CN(CC)CC)c1 850503027 ZZINAXQZEJVMHZ-HNNXBMFYSA-N 290.451 3.764 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)OC1(C#N)CCC1 753987352 AIFHNUTWCVPZIG-ZIAGYGMSSA-N 283.371 3.965 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ncc(C(C)(C)C)s1 933704133 NDFZBYDRTRUNEU-UHFFFAOYSA-N 299.399 3.873 30 20 CHED Cc1cc(Cl)cc2c1OC/C(=C\c1cccnc1)C2=O 750909973 QLNOWGGWLQPPPR-WUXMJOGZSA-N 285.730 3.702 30 20 CHED C=CC(C)(C)CCOC(=O)[C@@H]1CC12CCSCC2 851300227 NMDMQQSCKRKXAU-LBPRGKRZSA-N 268.422 3.665 30 20 CHED CCCCCCCCOC(=O)Cc1cscn1 853097306 BIXIFBYCBVKNHL-UHFFFAOYSA-N 255.383 3.589 30 20 CHED C=CCCC(=O)OCc1cscc1Br 851456593 CIDHPUAOKNBFIG-UHFFFAOYSA-N 275.167 3.520 30 20 CHED C=C1CCN(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)CC1 930806498 UYIBURLFIZCYQQ-AWEZNQCLSA-N 290.411 3.674 30 20 CHED CCC1(C)CCC(=NNc2nc(-c3ccncc3)no2)CC1 751526782 QLIHQJDEJPCBAB-UHFFFAOYSA-N 299.378 3.890 30 20 CHED CSC1CCN(CCCCC2(C#N)CCC2)CC1 931377920 SNACTNBDRDWWNI-UHFFFAOYSA-N 266.454 3.678 30 20 CHED C=CCCC[C@H](C)NCc1cccnc1Br 865521928 GYFDTMOZSKGLEM-NSHDSACASA-N 283.213 3.679 30 20 CHED Cc1ccc(C)c(/C=C2/CCc3scnc3C2=O)c1 863196536 NAXRPYZOSIUZPI-WQLSENKSSA-N 269.369 3.972 30 20 CHED Cc1cc(C=NNc2nccc3sccc23)ccc1C#N 766450643 PHJAETTWZOXEJR-UHFFFAOYSA-N 292.367 3.922 30 20 CHED N#Cc1ccnc(COc2cccc(Cl)c2Cl)c1 1164579607 WCFBVOQUYHYHLI-UHFFFAOYSA-N 279.126 3.839 30 20 CHED Cn1ncc(C2CC2)c1C=NNc1ccc(F)c(Cl)c1 863178810 GSYQSMQYXCSHHU-UHFFFAOYSA-N 292.745 3.536 30 20 CHED Cc1cccc(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)n1 863161857 LFALFNBHEYBNHM-ZWNOBZJWSA-N 255.321 3.552 30 20 CHED CC1(C)CCCC(=NN=c2cc[nH]cc2Cl)C1 767793013 SQEOSQZKHPCYDX-UHFFFAOYSA-N 251.761 3.525 30 20 CHED CCCC(=NNCCOCC(F)(F)F)C1CCCCC1 765601603 XCKFCKJUTSVBHO-UHFFFAOYSA-N 294.361 3.891 30 20 CHED CC1(C)C(=NNCC2CCOCC2)C[C@H]1c1ccccc1 1116305341 XHQQIEPKMTXYHK-INIZCTEOSA-N 286.419 3.572 30 20 CHED CC#CCCOC(=O)c1cccc(Cl)c1Cl 760289613 OEIIVGROKZIXTF-UHFFFAOYSA-N 257.116 3.564 30 20 CHED CC(C)CN(CCC#N)Cc1cccc2ncccc12 876529903 LOCIRBSODDCCSH-UHFFFAOYSA-N 267.376 3.606 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccccc1N(C)C 769567118 MRAQIYQDKVEDCE-UHFFFAOYSA-N 271.339 3.728 30 20 CHED N#CCCN(CCC#N)Cc1ccc2ccc(Cl)cc2n1 878310508 XBZAFBWRZZJUFF-UHFFFAOYSA-N 298.777 3.518 30 20 CHED CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 1116810772 CWILHYVMZVQOIA-RCBQFDQVSA-N 260.356 3.949 30 20 CHED CC(Cc1ccc(Cl)cc1)=NOCC(F)(F)F 773211033 YBFYDRFSVWKYIG-UHFFFAOYSA-N 265.662 3.837 30 20 CHED C=CCN(CCc1ccco1)Cc1cc(C)ccc1O 779168545 LVQXHGRBLMCPFW-UHFFFAOYSA-N 271.360 3.524 30 20 CHED CCC[C@H](CC)C(=O)N(CCC#N)C(C)(C)CC 875569832 IVZZBNSDAMNZER-ZDUSSCGKSA-N 252.402 3.744 30 20 CHED C=CCOc1ccccc1C(=O)O[C@H](C#N)C1CCCCC1 776372568 OGILRZKTFZOKHL-QGZVFWFLSA-N 299.370 3.881 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(C)c1O 775656473 HITMLBWXOMXZGA-UHFFFAOYSA-N 267.372 3.889 30 20 CHED COC(=O)c1cccc(NN=C(C)c2ccc(C)s2)c1 779825182 MWWSDCKTHKQVHZ-UHFFFAOYSA-N 288.372 3.679 30 20 CHED Fc1ccc2c(c1)C(=NOCCC(F)(F)F)CCC2 777458679 DQDTTXJEYVMASS-UHFFFAOYSA-N 275.245 3.835 30 20 CHED Cc1oc(-c2ccccc2)nc1C(=O)OCCC(C)(C)C#N 776353730 GGJHDLCSPFNCBE-UHFFFAOYSA-N 298.342 3.747 30 20 CHED CC(C)c1cccc2c1OCCCC2=NN=c1cc[nH]cc1 779809133 UCVWPYPQDULTMJ-UHFFFAOYSA-N 295.386 3.616 30 20 CHED CC(=NNc1ccccc1OC(F)(F)F)[C@@H]1CCCO1 777453067 KUYNLBMIDMRLQJ-NSHDSACASA-N 288.269 3.552 30 20 CHED C=CC(C)(C)CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 1122986518 BFCQLHXNDYYRFW-NSHDSACASA-N 274.389 3.799 30 20 CHED C#CCCCCC(=O)Nc1c(C(C)C)nc2ccccn12 887075032 RGXCVXLNSXMPFK-UHFFFAOYSA-N 283.375 3.590 30 20 CHED CS[C@@H]1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 775392063 HEVBUEDWEUCYSV-INMHGKMJSA-N 286.444 3.809 30 20 CHED Cc1ccc([C@@H](NCC2(C#N)CC2)c2ccccc2)cc1 775978025 QLMVSGQPFMWSSW-SFHVURJKSA-N 276.383 3.978 30 20 CHED N#Cc1cc(C(=O)NCc2ccc3sccc3c2)cs1 1129452068 XLGLDCZIGSFIMR-UHFFFAOYSA-N 298.392 3.764 30 20 CHED C#C[C@@H](C)NC(=O)C1(C2CCCCC2)CCCCC1 775387541 BRTCEWCRAVEJGT-CQSZACIVSA-N 261.409 3.655 30 20 CHED CCOCCON=Cc1ccc(-c2ccccc2)cc1OC 774417013 LIFDLDPINFIKKY-UHFFFAOYSA-N 299.370 3.749 30 20 CHED Cc1ccc(C(=O)OCCC(C)(C)C#N)cc1-n1cccc1 776362464 FARXKKHCMSYFBV-UHFFFAOYSA-N 296.370 3.882 30 20 CHED C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1c(O)cccc1F 886578137 LBGHDTAYBQVAQW-GFCCVEGCSA-N 296.345 3.743 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cnc(Br)cc1C 785599691 VZYFRAUAIAKDTO-ZDUSSCGKSA-N 297.196 3.693 30 20 CHED N#C[C@@H](OC(=O)c1cc2ccccn2c1)C1CCCCC1 785998834 OHVLJNZUONDUPF-MRXNPFEDSA-N 282.343 3.569 30 20 CHED CCc1cccc(Cl)c1/C=C\C(=O)c1cn(C)nc1C 788734772 YZNJYIDKJNCZFR-HJWRWDBZSA-N 288.778 3.840 30 20 CHED CC(=NNc1ccc2ccccc2n1)[C@@]1(C)CCCO1 782120335 WCIGJUNZVZSWKI-MRXNPFEDSA-N 269.348 3.592 30 20 CHED C=C[C@@](C)(CC)COC(=O)c1cccc(NC(=O)OC)c1 786521266 RJZACGSZBWYWCJ-INIZCTEOSA-N 291.347 3.624 30 20 CHED Fc1ccc(C2=CCC(=NOC[C@H]3CCOC3)CC2)cc1 788034372 QHIDQGUCUNFJHP-ZDUSSCGKSA-N 289.350 3.802 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(F)c([C@@H](C)O)c1 894435408 OVVFHEGPZKTZPH-WDEREUQCSA-N 264.344 3.619 30 20 CHED CCC(=NNc1ccc(C#N)cc1)c1cccc(F)c1 783514224 MROZJPRIIORWSN-UHFFFAOYSA-N 267.307 3.924 30 20 CHED C[C@H](C[C@H](O)c1ccco1)Nc1ccc(C#N)cc1Cl 892911220 WXWCYIAQQWVVFE-YGRLFVJLSA-N 290.750 3.729 30 20 CHED C[C@@H]1CC[C@@H](/N=C/c2cc3ccccc3nc2O)C1 780148439 GIDBWLAGCILEFV-IBMLWKIOSA-N 254.333 3.548 30 20 CHED CSCCON=Cc1cc(F)cc(C(F)(F)F)c1 794574856 TXDKYYZPPMENDV-UHFFFAOYSA-N 281.274 3.558 30 20 CHED COCCCON=Cc1c(C)[nH]c2ccc(Cl)cc12 795051650 XQAHLIFKQCMKJD-UHFFFAOYSA-N 280.755 3.517 30 20 CHED CC(C)Oc1ccc(/C=C/C(=O)c2ccnc(F)c2)cc1 794718858 FWYUUKRKMXAFOR-VMPITWQZSA-N 285.318 3.904 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1cccc(Cl)n1 793163981 OQCDIXFAFXSGDK-VIFPVBQESA-N 251.761 3.959 30 20 CHED C=CCC(CC=C)C(=O)Nc1cncc(SC)c1 891880206 CTJVXYCUPOLCOA-UHFFFAOYSA-N 262.378 3.510 30 20 CHED CCCCOc1ccc(C(=O)/C=C/c2c(C)cnn2C)cc1 794713835 PLJLPHBEEHCFFD-ZHACJKMWSA-N 298.386 3.804 30 20 CHED C=CCCCCC[C@H](C)N[C@H]1c2ccccc2C[C@H]1O 793527188 OMVMJUGWGKIFAL-QGTPRVQTSA-N 273.420 3.759 30 20 CHED C=CCCCCC[C@@H](C)NCCc1cn2c(n1)SCC2 793551405 HTRYZQMBCWMENG-CQSZACIVSA-N 293.480 3.646 30 20 CHED CCN(C[C@H](C)C#N)[C@H]1CCc2cc(Cl)ccc21 795878545 CKGVCMRAYVKDCO-ABAIWWIYSA-N 262.784 3.809 30 20 CHED C=CCCN(Cc1cncc(F)c1)OCc1ccccc1 796454774 GDSKFZJZEFIFBF-UHFFFAOYSA-N 286.350 3.731 30 20 CHED CC(C)[C@H](C=NNc1ccc([N+](=O)[O-])cn1)c1ccccc1 794494418 UAZHACJAMWSBAI-HNNXBMFYSA-N 298.346 3.827 30 20 CHED CC[C@H](C)CON=C1CCCc2nc(C)sc21 793159311 MZQCOGIJQMPDGF-VIFPVBQESA-N 252.383 3.555 30 20 CHED Cc1coc(C)c1C(=O)OCc1ccc(Cl)cc1C#N 792767088 WXXMGXYUHMOJCV-UHFFFAOYSA-N 289.718 3.779 30 20 CHED CCC[C@H](C(=O)OCc1ccccc1C#N)c1ccccn1 799532053 ZLVYBPZHKDXTCR-INIZCTEOSA-N 294.354 3.580 30 20 CHED C[C@H]1CC(=NNc2ncncc2F)C[C@H](c2ccccc2)C1 793210088 FMGZFWVZJBDSCF-TZMCWYRMSA-N 298.365 3.987 30 20 CHED CCC(CSc1ccccc1[N+](=O)[O-])=NN[C@@H](C)CC 790182825 LNVIGTRGJTVDJE-NSHDSACASA-N 295.408 3.841 30 20 CHED Cn1nccc1[C@H]1CCCC(=NOCc2ccccc2)C1 790291090 SJNWTWSEFQIHQT-HNNXBMFYSA-N 283.375 3.651 30 20 CHED C=CCN(C(=O)Nc1c(Cl)ccc2c1CCO2)C(C)C 797666251 KCQHFCQNXYLQDZ-UHFFFAOYSA-N 294.782 3.703 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC1(CC#N)CC1 1307804163 ZQWPKONCWTVPEX-BFYDXBDKSA-N 268.404 3.947 30 20 CHED CC(C)[C@@H](Cc1ccccc1)Nc1ncc(C#N)cc1F 1307209087 WPGMVUMDTUYNQE-MRXNPFEDSA-N 283.350 3.772 30 20 CHED N#Cc1cccc(C2(C(=O)OCCC3CCCC3)CC2)c1 1319316427 JYMYZURPVMZIEU-UHFFFAOYSA-N 283.371 3.713 30 20 CHED COc1ccc(C(C)(C)C)cc1Nc1cc(C#N)nc(C)n1 1161989242 RTVRZRMKWNSSAC-UHFFFAOYSA-N 296.374 3.706 30 20 CHED C[C@@H]1CCCC[C@H]1Cc1nnc(-c2cccc(C#N)c2)o1 1327809032 XJMPQJTXYLELDV-OCCSQVGLSA-N 281.359 3.977 30 20 CHED C=CCCCOC(=O)CCOc1ccccc1Cl 735529307 ZWRILEPIUKRAGE-UHFFFAOYSA-N 268.740 3.618 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1ccc(C(C)=O)cc1 1325459550 XDIFRROURWVFDC-MRXNPFEDSA-N 260.333 3.535 30 20 CHED C=CC[C@@H](CC)NC(=O)NCc1cccc(C(F)F)c1 1325108997 YJVNZFVZRASAOF-CYBMUJFWSA-N 282.334 3.778 30 20 CHED C=C[C@H](COC)NC1CCC2(CCCCC2)CC1 1320609521 YGNDEXZBONKVQY-CQSZACIVSA-N 251.414 3.670 30 20 CHED CC[C@@H](C)CCc1nnc(-c2cccc(C#N)c2)o1 1329324162 PXXKOVZSLRPPLD-LLVKDONJSA-N 255.321 3.587 30 20 CHED COc1ccc([C@H](C)C(C)=NOC(C)(C)C)cc1OC 1325010988 HOYMWTQPCIWACR-LLVKDONJSA-N 279.380 3.998 30 20 CHED Cc1c(C#N)cccc1C(=O)NC1CCCCCCC1 1256638783 KXXYCKGGIWZBPX-UHFFFAOYSA-N 270.376 3.709 30 20 CHED Cc1c(C#N)cccc1C(=O)Nc1cc(F)ccc1Cl 1339977492 HKOGYORROCEHRI-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 1254970595 HWJRMFOAHNUVHT-JTQLQIEISA-N 281.758 3.706 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)CC#Cc1ccccc1 1252963353 QHWSJOINADDHNK-HNNXBMFYSA-N 271.404 3.759 30 20 CHED CCN(Cc1cccs1)c1ccc(C#N)c([N+](=O)[O-])c1 94592955 LTSCTUFPGXAVKY-UHFFFAOYSA-N 287.344 3.554 30 20 CHED C=C(C)CCNC(=O)c1ccnc(SC(C)(C)C)c1 1330797909 DRKAVVSLQZJBGJ-UHFFFAOYSA-N 278.421 3.668 30 20 CHED C=C(C)CCC(=O)N(C)c1ccc(OC(C)C)cc1 1336454821 DYAVADHJQASPBC-UHFFFAOYSA-N 261.365 3.793 30 20 CHED CC(C)n1cc([C@H](C)NCCCCC2(C#N)CCC2)cn1 1333330332 SZMQSJPZONYYMO-HNNXBMFYSA-N 288.439 3.979 30 20 CHED Cc1ccc(C)c(NC(=O)c2cc(C#N)ccc2C)c1 1348719909 ONCXXRDPDVAIRJ-UHFFFAOYSA-N 264.328 3.736 30 20 CHED C=C(C)CCC(=O)Nc1ccccc1SC(=O)N(C)C 1340096160 BAHDAGGJNQXZSB-UHFFFAOYSA-N 292.404 3.755 30 20 CHED C/C=C(/C)C(=O)O[C@H](c1cccs1)[C@@H](C#N)CC 1348799228 PMWMOOZSMJXQHF-MIXQCWMNSA-N 263.362 3.848 30 20 CHED CCCCCCCCc1nc(-c2cccc(O)n2)no1 1262114565 AHUXPAQJFYRGLB-UHFFFAOYSA-N 275.352 3.740 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1ccccc1C#N 1349672461 BGJJSZUPZQUXJL-UHFFFAOYSA-N 268.291 3.512 30 20 CHED CN(C(=O)c1csc(C#N)c1)c1ccc(Cl)cc1F 1519786441 HMEITIAJIVJVAZ-UHFFFAOYSA-N 294.738 3.689 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc(OC(C)C)cc1 1515962727 RVROJNIZDDTSFM-UHFFFAOYSA-N 294.354 3.906 30 20 CHED C=C(CC)C(=O)N[C@@H](CC)c1ccc(Cl)s1 1519456122 POGVQXHYMDDQGA-VIFPVBQESA-N 257.786 3.935 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@@H](C)Cc2ccccc21 1528642707 JDSKPQIMVSTFFG-ZDUSSCGKSA-N 290.366 3.706 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)cc1C#N 1457376252 OCRRHJJVZGSSGM-CJNGLKHVSA-N 284.403 3.811 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1OC(=O)c1ccsc1C#N 1532098971 ZNOIPGNJMSWJLI-SCVCMEIPSA-N 263.362 3.601 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ns2)o1 1538381332 GDJJSCPMYHJJRQ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1539790954 KFKNOYMHQTXURY-APHBMKBZSA-N 271.360 3.845 30 20 CHED Cc1cc(C(=O)COc2ccccc2C#N)cc(C)c1F 1613317527 KMVFEHJCGPTBFW-UHFFFAOYSA-N 283.302 3.576 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)Nc1cc(C#N)c(F)cc1F 1477014694 CKKRWEBXNKLYJQ-SECBINFHSA-N 295.333 3.783 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc2oc(C(=O)O)cc2c1 1573325041 BWTKXIBAGNOAEM-UHFFFAOYSA-N 287.315 3.672 30 20 CHED CCC[C@@H]1[C@@H](C)CCCN1Cc1cc(C#N)ccc1OC 1657639183 MYRWXIYBHMZYBF-WMLDXEAASA-N 286.419 3.967 30 20 CHED CCCCCCCN1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 1595704551 UKIIGDVIJWOGGK-DLBZAZTESA-N 289.419 3.757 30 20 CHED O=C(O)c1ccc(NN=C2C[C@H]3CCCC[C@@H]3C2)cc1 1776013672 KHACFKRPNWVXFD-CHWSQXEVSA-N 272.348 3.753 30 20 CHED C[C@@H](C#N)Sc1nc2c(n1-c1ccccc1)CCCC2 5184072 QQULBTCQIGGUBG-LBPRGKRZSA-N 283.400 3.755 30 20 CHED Cc1ccc(C#N)c(N[C@H]2C[C@@H]2c2c(F)cccc2F)n1 161469418 HCLBOKFVOZVOEH-FZMZJTMJSA-N 285.297 3.508 30 20 CHED C=CCN(C)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 161882539 SHIBSCQCHWDUFX-UHFFFAOYSA-N 277.673 3.617 30 20 CHED C=C(C)CN(C)c1ncc(Cl)cc1Br 162845530 LTJVNADBCTUNLU-UHFFFAOYSA-N 275.577 3.510 30 20 CHED CCC[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 158659662 IRAQRBIXUWMZPU-LBPRGKRZSA-N 290.794 3.864 30 20 CHED C=CCCC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 160018037 JBMXPWXDMUSKPW-SFHVURJKSA-N 280.371 3.562 30 20 CHED Cc1nc(CNc2ccc(OC(C)C)c(C#N)c2)cs1 151958927 PVSJZTHPKXNSRL-UHFFFAOYSA-N 287.388 3.723 30 20 CHED C[C@@H](CC#N)Nc1cc(C(C)(C)C)nc(C(C)(C)C)n1 153402978 KBJCWRRDTGETDH-NSHDSACASA-N 274.412 3.786 30 20 CHED CN(Cc1ccc(N(C)C)cc1)CC(C)(C)CCC#N 155182422 YIGGKWWDAPJTRM-UHFFFAOYSA-N 273.424 3.514 30 20 CHED C=CCCCNc1ccccc1C(=O)N(CC)CC 157166900 FNLZENCTAGEODD-UHFFFAOYSA-N 260.381 3.547 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H](OC)c1ccccc1 156868381 RPPPZMILXKUHNZ-INIZCTEOSA-N 275.392 3.579 30 20 CHED C#CCCCCNC(=O)N1CCc2sccc2[C@H]1CC 154918010 HRIUBZODKMUWSW-CQSZACIVSA-N 290.432 3.570 30 20 CHED CCC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CCC1 159372615 UZJLWBLPTOPJHS-ZDUSSCGKSA-N 276.767 3.601 30 20 CHED CCN(Cc1ccc(F)cc1C#N)c1cccc(F)c1 1657757171 YHGBNNCTVSOOCK-UHFFFAOYSA-N 272.298 3.863 30 20 CHED CCCCCCCN1CC[C@H](OCc2ccncc2)C1 805752571 HFZFCEOBXCSLLR-KRWDZBQOSA-N 276.424 3.643 30 20 CHED C#Cc1ccc(CNc2cc(OC)ccc2Cl)cc1 809600997 RFZBTPGJUXUNKV-UHFFFAOYSA-N 271.747 3.942 30 20 CHED CCCCCCCCNC(=O)Cc1ccc(C#N)cc1 110615848 VZHSCGVFIUHKES-UHFFFAOYSA-N 272.392 3.577 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N 226190930 UKLQBJJLBKCTBR-SUNKGSAMSA-N 273.336 3.703 30 20 CHED Cc1ccc(C#N)cc1OCCCOc1ccccc1 229947618 FNXVBBWLYJLIHK-UHFFFAOYSA-N 267.328 3.715 30 20 CHED C[C@H](NC[C@H]1CC[C@@H](C)C1)c1ccc(OCC#N)cc1 230406367 BVXKWFMGJSDUJJ-ILXRZTDVSA-N 272.392 3.676 30 20 CHED C=C(Br)CN[C@H](CC)Cc1ccccc1 125111563 JGEHRPBVBTTYJI-CYBMUJFWSA-N 268.198 3.506 30 20 CHED CC[C@@H]1CCCN(Cc2cc(C#N)ccc2OC)CC1 130471912 KDIJRUQANHBDAK-CQSZACIVSA-N 272.392 3.579 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(Cl)ccc1Cl 184862318 KHQXWOQQDOORSE-UHFFFAOYSA-N 270.159 3.981 30 20 CHED C=CCCN(C)Cc1cc(C)c(Br)s1 467376481 KDAKXTBSLOTOIL-UHFFFAOYSA-N 274.227 3.827 30 20 CHED Cc1nc(N2CC[C@H]3CCCC[C@H]3C2)c(Cl)cc1C#N 312296136 AGLGYTQVFBDMOM-OLZOCXBDSA-N 289.810 3.932 30 20 CHED C#CCCCCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 714395643 VMLXRMYWQKMPIF-BZUAXINKSA-N 261.409 3.513 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc(Cl)c1 695859739 RGGZGFXWALCRMO-NSHDSACASA-N 250.773 3.758 30 20 CHED CC(=NNCc1ccccc1)c1ccc(F)cc1Cl 730551140 GXMPQXIZNWQIDZ-UHFFFAOYSA-N 276.742 3.993 30 20 CHED N#Cc1cccc(COC(=O)c2ccc3ncsc3c2)c1 4546209 WXBVYYHNVUDGNW-UHFFFAOYSA-N 294.335 3.525 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 102334754 CTAQDVKJIACCHX-AWEZNQCLSA-N 263.768 3.970 30 20 CHED C=CCN(C(=O)c1noc2c1C[C@H](C)CC2)c1ccccc1 9227041 BBGOJMHELCCWRD-CYBMUJFWSA-N 296.370 3.632 30 20 CHED Cc1ccc(N(CCC#N)C(=O)Cc2cccs2)cc1 63496641 GHIMKQDWBYDKFW-UHFFFAOYSA-N 284.384 3.546 30 20 CHED C=C(C)CSc1nc(C)cc(C(F)(F)F)c1C#N 27750783 WFBFORHHMYKGLP-UHFFFAOYSA-N 272.295 3.949 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1cccc(CC#N)c1 172469577 RLQOWISEKKVJHL-CYBMUJFWSA-N 272.392 3.697 30 20 CHED CCCCN(C(=O)c1ccc(C#N)[nH]1)[C@@H](C)c1ccccc1 119104706 HIKUACLZVOXYIK-AWEZNQCLSA-N 295.386 3.890 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1F 52020265 GFNXQRYHNWUIRE-LBPRGKRZSA-N 295.354 3.533 30 20 CHED CCCC[C@@H](CC)C(=O)N1CCCC(C)(C)[C@@H]1C#N 464476555 YEVAIWHJFVPYCZ-KGLIPLIRSA-N 264.413 3.744 30 20 CHED C=CCCC(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 102247092 XXMNIWMWMFZMTL-HNNXBMFYSA-N 283.375 3.501 30 20 CHED COc1ccc(C)cc1C[S@](=O)CCCC(C)(C)C#N 177945645 GJKNILONJBTCEQ-HXUWFJFHSA-N 293.432 3.582 30 20 CHED C[C@@H]1C[C@H]1c1ccc(CN(CCCC#N)C2CC2)o1 51183299 OUZUHVSCGKMECP-IUODEOHRSA-N 258.365 3.671 30 20 CHED C[C@H](C[C@@H]1CCCO1)Nc1ccc(C#N)c(C(F)(F)F)c1 109129343 OQNXXYCIVQRRFZ-MFKMUULPSA-N 298.308 3.947 30 20 CHED C[C@H]1CC[C@@H](CC(=O)Nc2sc3c(c2C#N)CCC3)C1 177095023 CHXDXNUYKQMEHM-WDEREUQCSA-N 288.416 3.873 30 20 CHED CCc1ccc(-c2nc(CN(C)C[C@H](C)C#N)cs2)cc1 66470082 QUKXHGLDNRZCJK-CYBMUJFWSA-N 299.443 3.964 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1nccc(C#N)c1[N+](=O)[O-] 302225489 OSJOWKUFPDVGFK-LBPRGKRZSA-N 296.330 3.651 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1 121592957 RGGNAYGOIFKKMD-CABCVRRESA-N 292.423 3.803 30 20 CHED Cc1nc(-c2cccc(C(=O)OCCCC#N)c2)cs1 174160442 FFCFBNPRGBZNGM-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1cccc(Oc2ccccc2)c1 63747690 WQLJGVYIZHPDFJ-AWEZNQCLSA-N 294.354 3.711 30 20 CHED CC[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2)o1 175993526 WCFUSUUDCPDYFF-NSHDSACASA-N 271.272 3.531 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 111901367 KZYYWIUZSYBAMR-SJORKVTESA-N 286.419 3.930 30 20 CHED CCCCCCCCCCC(=O)N1CCC[C@@H](O)C1 119944743 PZQCMJJSWXETOW-OAHLLOKOSA-N 269.429 3.501 30 20 CHED C=CCCC(=O)NC1(c2ccc(F)cc2)CCCC1 60365141 VIDOAPDXMGFQKM-UHFFFAOYSA-N 261.340 3.677 30 20 CHED C[C@H](NCCc1cc(F)cc(F)c1)c1ccc(C#N)cc1 60717549 MQNZJXRELSHROH-LBPRGKRZSA-N 286.325 3.730 30 20 CHED N#Cc1csc(/C=C/c2nc3ccccc3o2)c1 176839475 CMEMICLUYDBVAB-AATRIKPKSA-N 252.298 3.931 30 20 CHED C=CCOc1ccc(OC(=O)c2cc(Cl)ccn2)cc1 173522587 HODVAVYLNFJACC-UHFFFAOYSA-N 289.718 3.519 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccc(F)cc1F 175321431 FKTOFBYRNBCPQS-DAFODLJHSA-N 296.219 3.845 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C(C)=C1CCCC1 176666759 UFUOOLZGRGAGOV-UHFFFAOYSA-N 287.334 3.667 30 20 CHED CC[C@@H]1c2ccsc2CCN1C(=O)C#Cc1ccccc1 174988636 UTOFVDIVYFHIJT-MRXNPFEDSA-N 295.407 3.636 30 20 CHED CC(C)OCCC/N=C/c1c(O)ccc2ccccc12 60803490 DSZXWNLTLKKBAW-LDADJPATSA-N 271.360 3.779 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2cccc(C(F)F)c2)n1 171565208 DLMRTYPJHHZASZ-NSHDSACASA-N 292.310 3.879 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccc(F)c(F)c1 175321408 OARGBBFNWZRHSW-DAFODLJHSA-N 296.219 3.845 30 20 CHED C#C[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 174467471 MOULTQMXVMUXMC-JCURWCKSSA-N 264.324 3.508 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCc1ccsc1 121355467 CYWKMOPISHWJJP-UHFFFAOYSA-N 299.439 3.938 30 20 CHED Cn1cc(/C=C/C(=O)c2cccc(-c3ccccc3)c2)cn1 63874646 YMTUWRSSGRQKMS-ZHACJKMWSA-N 288.350 3.983 30 20 CHED CC(C)(C)Oc1ccc(NCc2ccc(C#N)o2)cc1 174473995 UIBKOLWOIYXLLK-UHFFFAOYSA-N 270.332 3.941 30 20 CHED C=CCOc1ccc(CN2CCCC2)cc1Cl 171128033 PQULACGBDSTUCF-UHFFFAOYSA-N 251.757 3.501 30 20 CHED Cc1ccc(F)c(OCc2ccc(F)cc2C#N)c1 303920584 TYFYDSHXQHHXGC-UHFFFAOYSA-N 259.255 3.724 30 20 CHED CCCC[C@@H](CCC)NC(=O)c1cccc(CC#N)c1 177296552 VRBATDWMIRXJHT-MRXNPFEDSA-N 272.392 3.841 30 20 CHED N#Cc1cnc(NC[C@H]2CCCC(F)(F)C2)c(Cl)c1 336940634 XUUQPPVWWFVUID-VIFPVBQESA-N 285.725 3.844 30 20 CHED N#Cc1ccc(Nc2cccc(-c3cccs3)c2)nn1 302002526 RBIWNVJRSGDHFP-UHFFFAOYSA-N 278.340 3.820 30 20 CHED N#CCOc1cccc(NC2CC(c3ccccc3)C2)c1 37069709 LEBGGFATALFBMG-UHFFFAOYSA-N 278.355 3.947 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 129189186 UXXOQNGRRFYKKD-KBPBESRZSA-N 298.292 3.579 30 20 CHED CC1(C)CCCN(CCSc2ccccc2)[C@H]1C#N 444738371 SZHRXBXGLVEUEF-HNNXBMFYSA-N 274.433 3.793 30 20 CHED N#Cc1nc(N[C@H]2CCCc3c(O)cccc32)ccc1Cl 302732930 UVLZXXDZQTXCJV-ZDUSSCGKSA-N 299.761 3.802 30 20 CHED CCN(C(=O)NC[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 182766880 RUHYMZOJGXUGJC-OLZOCXBDSA-N 299.374 3.685 30 20 CHED CC[C@H](CC#N)Nc1nc(C(F)F)nc2ccccc12 302128090 AFMBLARNONDNFP-SECBINFHSA-N 276.290 3.672 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(C#N)c2)s1 71822757 CTQZALJNYGZGHL-VOTSOKGWSA-N 253.326 3.824 30 20 CHED C=C(C)[C@H](NC(=O)N(CC)CC)c1ccc(F)c(F)c1 186138541 LQMGOQJRVBWHLI-AWEZNQCLSA-N 282.334 3.633 30 20 CHED N#Cc1ccc(CN2CCOC3(CCCCCC3)C2)s1 180038669 GGWQSQXVKLKCFO-UHFFFAOYSA-N 290.432 3.545 30 20 CHED N#Cc1cccc(C(=O)N[C@H]2CCCCC23CCCC3)c1 314866452 JXCRZONHGKBESN-INIZCTEOSA-N 282.387 3.791 30 20 CHED Cc1ccc(CCCCC(=O)N[C@](C)(C#N)C(C)C)cc1 124622708 SNZCSQNVRUSYKN-GOSISDBHSA-N 286.419 3.762 30 20 CHED CCC[C@@H](CC)S(=O)(=O)CCC1(C#N)CCCCC1 414216770 AHBXRCXDLWTEOK-CQSZACIVSA-N 285.453 3.844 30 20 CHED CCN(CC#N)C[C@@H](C)c1ccc(C(F)(F)F)cc1 501162376 JNJNPTJWIBPHRK-LLVKDONJSA-N 270.298 3.654 30 20 CHED Cc1cnc(N[C@H]2CCCc3cc(C#N)ccc32)s1 419011315 ALZDUGSBPDYKPW-AWEZNQCLSA-N 269.373 3.813 30 20 CHED N#Cc1cccc(CN2CCS[C@H]3CCCC[C@@H]32)c1F 340887443 ZKWAUTLSWUOJAD-GJZGRUSLSA-N 290.407 3.557 30 20 CHED CC[C@H](CN[C@H]1CCC[C@H](C#N)C1)Oc1cccc(C)c1 185785256 VRGOOPOBYRZNET-YESZJQIVSA-N 286.419 3.824 30 20 CHED CC(C)(C)NC(=O)c1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 185737948 ONYAQFCFEICJMJ-HIFRSBDPSA-N 299.418 3.709 30 20 CHED C#CCOc1ccccc1NC(=O)c1ccc(C)cc1C 187190594 OXZYEIHOMYFNCW-UHFFFAOYSA-N 279.339 3.568 30 20 CHED CC(C)c1ccc(C(=O)N(CC#N)C2CCCC2)s1 186028435 XCCVGVUZTVPARG-UHFFFAOYSA-N 276.405 3.780 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@]1(C)CCC[C@H]1C 411056714 NICJJGSXIOTJSM-DIFFPNOSSA-N 284.359 3.526 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ccc(COC)o1 414537556 PIGLNBFYPTUCIH-INIZCTEOSA-N 285.387 3.703 30 20 CHED C[C@@]1(c2ccccc2)CC[C@H](N(CCC#N)CCC#N)C1 188218887 JXVFVSNHUSALNW-ZWKOTPCHSA-N 281.403 3.626 30 20 CHED Cc1cc(C)cc(NC(=O)c2cccc(C#N)c2C)c1 509013682 IOKWJYNSYJIZOR-UHFFFAOYSA-N 264.328 3.736 30 20 CHED Cc1ccc(CCCC(=O)NCc2cccc(C#N)c2)s1 79397667 QNRFKXRTDONDQH-UHFFFAOYSA-N 298.411 3.567 30 20 CHED N#Cc1cccc(SCc2nnc(C3CC3)n2C2CC2)c1 181124983 DLZOHPSRJKLDIJ-UHFFFAOYSA-N 296.399 3.654 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@H](C)[C@H]1C 181381420 GHEYPTBLKUNMKZ-MELADBBJSA-N 252.402 3.561 30 20 CHED CC(C)CCC(=O)Nc1ccc(Cl)cc1CC#N 410962200 BZAUXBLBADPXJW-UHFFFAOYSA-N 264.756 3.781 30 20 CHED N#CCCSCc1nc(-c2ccc(Cl)cc2)no1 413010083 FTPDGEADUOYGKZ-UHFFFAOYSA-N 279.752 3.537 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1sccc1Br 157250945 PIDHDZFMUPKAGG-SFYZADRCSA-N 260.200 3.736 30 20 CHED Cc1ccccc1-c1nnc(S[C@H](C)CCC#N)n1C 188250255 KKRSPPLXCMUSSF-GFCCVEGCSA-N 286.404 3.575 30 20 CHED CCCCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 75460584 IFKHNYWYRFFTNF-UHFFFAOYSA-N 294.354 3.880 30 20 CHED Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OCC2CC2)c1 185863327 HIGYDGDLZDZJDQ-SJLPKXTDSA-N 298.430 3.956 30 20 CHED Cn1cc(C(=O)/C=C/c2c(Cl)cccc2Cl)cn1 49151404 GROHJGMVEHECIE-AATRIKPKSA-N 281.142 3.623 30 20 CHED Cc1cc(C)c(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)o1 79172727 BOVNRZUAXWAERQ-NSHDSACASA-N 288.372 3.966 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](OC)C[C@@H]2C)CCCCC1 410826436 YGKSAPLJOBROQI-LSDHHAIUSA-N 279.424 3.539 30 20 CHED CCCCC[C@@H](C)CC(=O)NCc1ccc(C#N)cc1 79485217 LKXSJWHXIWDEDQ-CQSZACIVSA-N 272.392 3.781 30 20 CHED CC1(NCc2cc(C#N)cs2)CCC(F)(F)CC1 612192010 ICLIGIWVEJQDKM-UHFFFAOYSA-N 270.348 3.677 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(C#N)cc1C 186301523 PYPSFJPCSKTBQJ-CQSZACIVSA-N 276.449 3.830 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)C[C@H](C)C1 508802977 UVSGZOJYCUMOMN-GJZGRUSLSA-N 296.418 3.613 30 20 CHED COCCSc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 411465335 OHBONLHQTRPEMW-UONOGXRCSA-N 292.448 3.768 30 20 CHED CC(C)CN(C(=O)[C@H]1CC1(C)C)c1ccc(C#N)cc1 501848282 BEZFKMDYELKIHI-OAHLLOKOSA-N 270.376 3.593 30 20 CHED N#CCCSc1ccccc1NCc1ccc(CO)cc1 180588928 BHZDBAOOAPNXFO-UHFFFAOYSA-N 298.411 3.797 30 20 CHED C=CCC1(C(=O)N2CCO[C@](C)(c3ccccc3)C2)CCC1 189346456 SSGDUHMDDJQDJZ-SFHVURJKSA-N 299.414 3.507 30 20 CHED COc1ccc(O)c(/C=N\[C@H](C)Cc2ccsc2)c1 48833077 CHKMRGRAQWMBOS-WIWNTQSISA-N 275.373 3.512 30 20 CHED N#Cc1ccc(F)cc1COc1ccccc1Cl 229946879 RMDCOBKLECRYLC-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(C)c(C)c1Cl 410834492 KQMJUGBKTCKJCF-LBPRGKRZSA-N 278.783 3.721 30 20 CHED CC[C@H](C#N)OC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 89240280 VVOCHRLGFZGXEC-SMDDNHRTSA-N 279.767 3.754 30 20 CHED C[C@@H](CC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 41130445 WTWYEDCAYRWWED-LBPRGKRZSA-N 282.318 3.830 30 20 CHED Cc1ccc(CCCC(=O)[C@@H](C#N)c2ccccn2)s1 80379162 RNBDPHIJOYAYJO-AWEZNQCLSA-N 284.384 3.651 30 20 CHED C=CCOc1ccccc1C(=O)N1CCCCCCC1 45053678 MTUUTMVSGQSDGU-UHFFFAOYSA-N 273.376 3.658 30 20 CHED O/C(=N/[C@H]1C[C@H]2CC[C@H]1C2)Nc1scnc1C1CC1 328914741 JBZRRJUBQVOGEX-LSJOCFKGSA-N 277.393 3.535 30 20 CHED C[C@@H](C#N)Sc1nc(-c2ccc(F)cc2)cs1 191713174 WTEVXPIYJXHTGH-QMMMGPOBSA-N 264.350 3.953 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc2c(C)cc(C)cc2[nH]1 428048677 KJPUPJVVEBUCLR-AWEZNQCLSA-N 282.387 3.965 30 20 CHED N#C[C@H]1CCC[C@@H](NC2(c3ccccc3)CCC2)C1 193088474 USALYLDUBPUTKC-GOEBONIOSA-N 254.377 3.738 30 20 CHED CC(C)(C#N)CNC(=O)N(Cc1ccccc1)CC1CCC1 512903133 WDYWJTFYJJNUME-UHFFFAOYSA-N 299.418 3.548 30 20 CHED CCc1onc(C)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1 192618612 NEEQREMOOJTWHO-UHFFFAOYSA-N 297.358 3.599 30 20 CHED CC(C)C[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1ccccc1 43716085 JSUSJIAKAIOJFK-GDBMZVCRSA-N 287.407 3.575 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1c1ccc(C#N)c([N+](=O)[O-])c1 515445666 SAELSWNPTMGYPC-WFASDCNBSA-N 287.363 3.871 30 20 CHED C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C 426426340 HDFWMAQJDLWRLZ-QWHCGFSZSA-N 281.321 3.787 30 20 CHED C=CCN(C)Cc1cn(-c2ccccc2)nc1C(C)(C)C 428374595 NZGOJWGCBRADJO-UHFFFAOYSA-N 283.419 3.788 30 20 CHED CC(C)N(C)C(=O)[C@@H](C)S[C@@H](C)c1cccc(C#N)c1 190904295 VZUITOIIIDJTDN-QWHCGFSZSA-N 290.432 3.608 30 20 CHED Cc1ccc(-c2noc(CC(C)(C)C#N)n2)cc1Cl 334671863 SRZYUOZRXYRHJP-UHFFFAOYSA-N 275.739 3.791 30 20 CHED C=CCSCCNC/C(C)=C\c1ccccc1COC 510889107 ZTOCPAOXRRZISQ-QINSGFPZSA-N 291.460 3.745 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC[C@H](c2cccc(F)c2)C1 424640853 BKWWRXQZYJCMHZ-AWEZNQCLSA-N 275.367 3.744 30 20 CHED N#Cc1cccc(CN(C#N)c2ccccc2Cl)c1 429782148 DQWFEDANJUELIH-UHFFFAOYSA-N 267.719 3.699 30 20 CHED CCCCCCCCCN(C)C(=O)C1CCOCC1 194665924 CMNSOWDPPAIGSW-UHFFFAOYSA-N 269.429 3.622 30 20 CHED N#CCCCN1CCc2ccccc2[C@H]1c1ccccc1 339608438 ZSURTIZDXVEBJS-LJQANCHMSA-N 276.383 3.938 30 20 CHED N#Cc1cccc(C2(NC[C@H]3CCCC(F)(F)C3)CC2)c1 514150050 WIGHETCDUSEYQD-AWEZNQCLSA-N 290.357 3.962 30 20 CHED CC1CCC(CNCc2ccc(O[C@H](C)C#N)cc2)CC1 236663959 JIIDRVKKHZBXDY-HWOWSKLDSA-N 286.419 3.893 30 20 CHED C=CCC1(C(=O)Nc2ccc3nnc(C(C)C)n3c2)CCC1 190761201 XDFFYXPRWBSNLB-UHFFFAOYSA-N 298.390 3.538 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC2CCCCCC2)cc1 332382377 XYUQZWXMDKHUAK-UHFFFAOYSA-N 284.403 3.940 30 20 CHED Cc1c(C(=O)N(C)[C@H](C)CC#N)sc2ccc(F)cc12 336382764 KXEHBAGJXQKNQV-SECBINFHSA-N 290.363 3.723 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1O 97996083 GYMMGCXDJQLKAB-XQRVVYSFSA-N 274.341 3.667 30 20 CHED CC(C)c1[nH]ccc1/C(O)=N/CCC[C@H]1CCCCO1 330608923 RDVFFDUISKVARO-CYBMUJFWSA-N 278.396 3.792 30 20 CHED Cc1ccc([C@H](NCCOCCC#N)c2ccccc2)cc1 339021056 HALHNISIEDVZGG-LJQANCHMSA-N 294.398 3.604 30 20 CHED C=CC[C@H](CO)CN[C@H](c1cccs1)C1CCCC1 538195091 OBEPFGSTYBMUGK-BBRMVZONSA-N 279.449 3.754 30 20 CHED CS[C@@H]1CCC[C@H](/N=C(/O)c2cncnc2C(C)C)C1 330860653 WHIUVZFTFVWPRL-NWDGAFQWSA-N 293.436 3.579 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CCCSC1 513171860 PHJQDPFRIRJGLP-CQSZACIVSA-N 284.469 3.517 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](c3ccccc3)C2)c1 435593793 SPNPXJNYAGWFJS-SHTZXODSSA-N 293.326 3.825 30 20 CHED CC[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cc(C)ccc1C 528025001 IUAZSQLWERQZOP-ZMSDIMECSA-N 299.418 3.746 30 20 CHED N#Cc1cc(N[C@H]2C[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] 435594269 VVQBGNHUODGKHM-SAZUREKKSA-N 293.326 3.825 30 20 CHED Cc1ccc([N+](=O)[O-])c(N(CCC#N)CCC(C)C)c1 434958782 PMKKLMJQAPYEPZ-UHFFFAOYSA-N 275.352 3.669 30 20 CHED C=CCC(C)(C)CNC(=O)NC[C@H](C)c1ccccc1 432359298 SEDMZOOPIKSLJQ-AWEZNQCLSA-N 274.408 3.692 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 522908540 PQBOWLBKUILMSV-IIAWOOMASA-N 284.403 3.952 30 20 CHED CN(Cc1ccc(F)c(F)c1)Cc1cccc(C#N)c1F 340764294 UFYVVNSDXRXEGY-UHFFFAOYSA-N 290.288 3.608 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1C[C@H]1c1ccccc1 341153492 XZEDDQRSZJWJCB-IRXDYDNUSA-N 298.430 3.969 30 20 CHED C[C@H]1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)[C@H]1C 246996368 QYIKAVGGPSRRPD-UWVGGRQHSA-N 287.313 3.619 30 20 CHED C=CC[C@H](C)NC(=O)NCC1(c2ccc(Cl)cc2)CC1 522630341 KSXCLMAVDXICNU-LBPRGKRZSA-N 292.810 3.635 30 20 CHED C[C@@H](CC#N)N(C)CCc1cccc(Cl)c1Cl 434476785 LKHFVBDNIYBNMT-JTQLQIEISA-N 271.191 3.770 30 20 CHED C=CC[C@H](C)NC(=O)c1cc(CCC)c(C)s1 523962833 DIDVSGHFMSSLMS-JTQLQIEISA-N 251.395 3.703 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)cs2)[C@@H]2CCCC[C@H]12 248373622 KGYQPAMWMLXPJI-KCPJHIHWSA-N 260.406 3.630 30 20 CHED C[C@H](CC(=O)NCCCC#N)c1ccc(C(F)(F)F)cc1 342647760 GQJSIZGNWNKIDL-LLVKDONJSA-N 298.308 3.619 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC1CCC(CC)CC1 435752266 XGAVCOMPYQYHML-BHDPWAOGSA-N 251.414 3.526 30 20 CHED C=CCCc1ccccc1NC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 529272239 OABNPBVJLJBRKZ-LOUJCGABSA-N 287.403 3.803 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cncc(C(F)(F)F)c1 343599949 FBILESWPWMYKNB-JTQLQIEISA-N 286.297 3.575 30 20 CHED CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)C#N)c(C)c1 609843138 LTBLZEGOYGQJMA-NEPJUHHUSA-N 276.405 3.984 30 20 CHED CCc1cnccc1[C@@H](C)NCc1ccc(CC#N)cc1 343674259 ALVGXYYCWZLLFC-CQSZACIVSA-N 279.387 3.561 30 20 CHED N#CC1(CCCSCCCCCF)CCOCC1 340623913 SVCDTDCOVIUJHH-UHFFFAOYSA-N 273.417 3.960 30 20 CHED CCCCc1c(C)nn(-c2ccc(C#N)cc2)c1C 603921273 OLCOIUGPVPAAOY-UHFFFAOYSA-N 253.349 3.703 30 20 CHED CCN(CC)c1ccc(/C=N\C[C@H]2CCCS2)c(O)c1 255354007 QNVNSPAEZBXOPE-QJISPJEISA-N 292.448 3.553 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2c(C)cccc21 527487312 AXFOFKIALMNVBZ-WBVHZDCISA-N 257.377 3.701 30 20 CHED Cc1ccc(CNc2nc3c(cc2C#N)CCC3)c(C)c1 603868570 DOBPPLFWAKZTCP-UHFFFAOYSA-N 277.371 3.671 30 20 CHED C=CC[C@H]1N(C(=O)[C@H](C)CSC)CCCC1(C)C 347418543 BBVCDFUJJBRARP-CHWSQXEVSA-N 269.454 3.579 30 20 CHED C=CCCN(C)C(=O)c1cccc(Oc2ccncc2)c1 344268216 WBPFWLSGOWHOGT-UHFFFAOYSA-N 282.343 3.522 30 20 CHED COc1ccc(CN(CCC#N)CCC#N)cc1C(C)(C)C 602581393 JKAPWISEBJWREH-UHFFFAOYSA-N 299.418 3.622 30 20 CHED C[C@](C#N)(NC(=O)C1CC2(CCC2)C1)C1CCCCC1 520232135 SXJHKFMTVFHSES-MRXNPFEDSA-N 274.408 3.545 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCN(CCC(C)(C)C)CC1 527191021 KFDFTPSCQNWEKE-MRXNPFEDSA-N 299.462 3.673 30 20 CHED CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)[C@@H](C)c1ccc(C#N)cc1 448777506 MLPOCCFZHYCTDP-NBMRYCAZSA-N 296.414 3.904 30 20 CHED Cc1ccc(-c2ccc(NC(C)C)nc2)cc1C#N 600795510 YPURXVQKFKDCJG-UHFFFAOYSA-N 251.333 3.749 30 20 CHED C[C@H](CCC#N)CNCc1cc2ccccc2s1 602585579 GVRDWFXRCBOBFI-GFCCVEGCSA-N 258.390 3.931 30 20 CHED CN(C)c1c(CNc2cccc(C#N)c2)ccc(F)c1F 600856506 AAPBVCOSDWUREY-UHFFFAOYSA-N 287.313 3.515 30 20 CHED CC(C)n1ccnc1S[C@H](C#N)Cc1ccccc1 603453823 ONKHZTYYWWKXCO-AWEZNQCLSA-N 271.389 3.691 30 20 CHED C=CCCc1nc(-c2ccc(Cl)cc2OC)no1 445667096 CVJLJWKKWBMEQU-UHFFFAOYSA-N 264.712 3.517 30 20 CHED CN(CC#N)C(=O)C1(c2cccc(Cl)c2)CCCCC1 263677204 GGLPXZARAFAGNY-UHFFFAOYSA-N 290.794 3.524 30 20 CHED CCCCN(CC)C(=O)C[C@H](CC#N)c1ccccc1 353310802 YMXPATZIVRKLCU-INIZCTEOSA-N 272.392 3.723 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1cccc(F)c1)C1CCCC1 539334493 YPGYEDISVDAELP-QZTJIDSGSA-N 291.410 3.974 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1cccc2ccccc12 359888040 DKTKOEKUYSCQAA-CYBMUJFWSA-N 266.344 3.711 30 20 CHED C[C@H]1CCC[C@H](c2noc(CNc3ccc(C#N)cc3)n2)C1 356225297 SBIDGEFRJPDYOC-JSGCOSHPSA-N 296.374 3.847 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1 537230469 LZGCKOMPHQVNLW-CABCVRRESA-N 275.392 3.623 30 20 CHED C=CC[C@H]1N(C(=O)NCCCCOCC)CCCC1(C)C 445266016 OVYZYMWERCDEDP-OAHLLOKOSA-N 296.455 3.579 30 20 CHED C[C@H](CCC#N)N1CCC[C@H](c2nc3ccccc3o2)C1 616015960 HQTLRVNAFGWMSQ-KGLIPLIRSA-N 283.375 3.699 30 20 CHED N#CCCN(C(=O)[C@H]1CCC(F)(F)C1)c1ccc(F)cc1 619541790 FJJKGOKQPQBHFK-NSHDSACASA-N 296.292 3.508 30 20 CHED C=CCC1(C(=O)NCCCc2ccc(O)cc2)CCCC1 449893092 UNDCINLULJONJM-UHFFFAOYSA-N 287.403 3.578 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N(C)c1ccc(C#N)cc1 269704972 QEKPBLYIEWOCKD-ZDUSSCGKSA-N 270.376 3.737 30 20 CHED C=C1CCN(C(=O)C[C@@H](c2ccccc2)C(C)C)CC1 264499036 PMPBTKBHVCNOMZ-QGZVFWFLSA-N 271.404 3.995 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cc[nH]c2C(C)C)C1 617779041 TZYZFCSHLOGRLJ-CYBMUJFWSA-N 260.381 3.566 30 20 CHED C=CCCCCCN(C)Cc1cccc(C(=O)O)c1 263492542 RSGGLYRLGOHTLU-UHFFFAOYSA-N 261.365 3.563 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(F)cc1C 352596873 DLQLHHBEZLCWTQ-UHFFFAOYSA-N 287.334 3.598 30 20 CHED Cc1c(C#N)cccc1NCc1ccnn1C1CCCC1 449229242 ZGVXRMIFBZJIAR-UHFFFAOYSA-N 280.375 3.790 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C#N)s1 611561533 YJDFBFYWSYICHH-ZJUUUORDSA-N 288.338 3.783 30 20 CHED COc1cc(CN[C@@H]2CSc3ccccc32)ccc1C#N 353624306 DCHTUGDEWPAOQT-OAHLLOKOSA-N 296.395 3.503 30 20 CHED C=CCc1cc(OCC)cc(CN(CC)CC2CC2)c1O 261459822 LNTYDGVFALHGHN-UHFFFAOYSA-N 289.419 3.751 30 20 CHED N#Cc1ccc(CN(c2ncc(Cl)s2)C2CC2)cc1 613180491 IYCDJBRSVUPDFQ-UHFFFAOYSA-N 289.791 3.837 30 20 CHED C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccsc1 618802988 GKGLWZKKSAENCD-BDJLRTHQSA-N 268.385 3.958 30 20 CHED Cc1nc(CNc2ccc(F)cc2C#N)nc2ccccc12 610275523 JTHILVCSYGBKEC-UHFFFAOYSA-N 292.317 3.561 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc3cnccc23)C1 617782789 MNUIMVTVDNEFNS-AWEZNQCLSA-N 280.371 3.663 30 20 CHED C=CCC[C@@H](NCCC1CCN(C)CC1)c1ccco1 276452609 MGVWHPZKQOQSGQ-MRXNPFEDSA-N 276.424 3.608 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F 277763108 SAAWZAMCORCJBD-JQWIXIFHSA-N 277.330 3.848 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCCC1(F)F 450427290 RZOVJOIPEYJBMQ-NEPJUHHUSA-N 259.340 3.673 30 20 CHED C=CCC1(c2nc(-c3nccc(C)n3)no2)CCCCC1 453170310 URLXUUQNVPEXDW-UHFFFAOYSA-N 284.363 3.613 30 20 CHED N#CCCCCNC(=O)Nc1ccc(C2CCC2)cc1 279030938 WQIQASLAIJVZOE-UHFFFAOYSA-N 271.364 3.769 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(SC)c1C 271756878 YVGBGNHZKZFWTI-UHFFFAOYSA-N 270.785 3.591 30 20 CHED CCO[C@@H]1CCC[C@H]1N[C@@H](CC)c1ccc(C#N)cc1 453402569 MMHIAVCQHOJBNK-GVDBMIGSSA-N 272.392 3.557 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H]1C[C@H]1CC(C)C 450491297 WKZVIIIIVVWYRO-GDBMZVCRSA-N 275.392 3.519 30 20 CHED C=C[C@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccccc1 274296054 DRFHHKCISWPFHD-KDOFPFPSSA-N 284.403 3.791 30 20 CHED C=C(CC)COc1ccccc1C(=O)N1CCCCC1 540215245 NBILIUOVCGZQEP-UHFFFAOYSA-N 273.376 3.658 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(C2CC2)nc1C 450421875 FVGPUUZJMSPJIP-GFCCVEGCSA-N 272.392 3.742 30 20 CHED C=CCOc1cnc2ccc(Br)cc2c1 547823427 MNKVXJOWTGZZBJ-UHFFFAOYSA-N 264.122 3.562 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1CC1(C#N)CCC1 450899410 DHVLRPGQOXXHRA-WBVHZDCISA-N 268.404 3.948 30 20 CHED C=CC[C@@H](C(=O)Nc1nc2c(s1)CCC2)c1ccccc1 547627964 LGSJKXFKKFGMDH-CYBMUJFWSA-N 298.411 3.930 30 20 CHED CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1cccc(C#N)c1 271362944 IOXBKTKUPFWYLY-FZKQIMNGSA-N 298.361 3.563 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@H](C)Cc2ccsc2)c1 542521234 GUEKULQEPRLYLM-LLVKDONJSA-N 284.384 3.865 30 20 CHED N#Cc1nn(CCCC2CCCC2)c2ccccc12 541409284 RAUHYVKGRAHWRT-UHFFFAOYSA-N 253.349 3.878 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)c1c(C)noc1C 624073667 ULJNOVGYSGNPRF-ZDUSSCGKSA-N 298.386 3.610 30 20 CHED C=CCCN(C)C(=O)c1c(C)[nH]c2ccc(Cl)cc12 276269636 PVXKTTCEVFXMDA-UHFFFAOYSA-N 276.767 3.778 30 20 CHED C=CCCCC(=O)N1CC[C@@H](C)c2cccc(O)c21 274427671 ZWQHNIAWORMDSN-GFCCVEGCSA-N 259.349 3.589 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](c2cccc(C)c2)C1 276997053 YOKJQNWSABUQEK-WMZOPIPTSA-N 271.404 3.913 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@](C)(C#N)CC)c1 285411143 UXQLDGHYMXSFEI-MRXNPFEDSA-N 272.348 3.520 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N(C)[C@H](C)CC#N 280766644 NXNLEZYZYBCVJJ-CYBMUJFWSA-N 287.407 3.886 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(-c2ccc(CC)cc2)o1 465110324 PPPCPAGAKUCUEP-GFCCVEGCSA-N 269.344 3.813 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 464756337 MATFYENKKDSQDA-STQMWFEESA-N 272.392 3.500 30 20 CHED N#Cc1cc(N2CCC[C@H]2/C=C\c2ccccc2)ccn1 553518286 AUPVMMBFSOCWIR-JJEJIETFSA-N 275.355 3.635 30 20 CHED CC(C)(C#N)CCSCc1ccnc(Cl)c1 289332361 CYSXYMUZYZBYMN-UHFFFAOYSA-N 254.786 3.908 30 20 CHED CC(C)(C)[C@H]1CC[C@H]1NCCc1cccc(C#N)c1 554586965 YRRFBGOGWBEKCE-JKSUJKDBSA-N 256.393 3.515 30 20 CHED C[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1cccs1 461767838 BXNPHNGRGBLKJE-VXGBXAGGSA-N 284.384 3.601 30 20 CHED COc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(F)cn1 287797674 TXUVFRVKUYCWEM-NWDGAFQWSA-N 299.349 3.513 30 20 CHED C=C1CC(C)(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)C1 631626287 NKTAQMDPYVUSDA-NEPJUHHUSA-N 289.341 3.828 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1nc2c(OC)cccc2s1 467852760 GEWZIIPXFHDNJW-HNNXBMFYSA-N 290.388 3.846 30 20 CHED CC#CC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 282823046 OHCQHQHHDWFJAZ-SECBINFHSA-N 270.159 3.536 30 20 CHED C=CCC(C)(C)c1noc(-c2cn(CC)nc2C2CC2)n1 632149511 XSMMBSXWJLITSV-UHFFFAOYSA-N 286.379 3.684 30 20 CHED CC[C@H](c1ccncc1)N(C)Cc1ccc(C#N)c(OC)c1 290575929 UDORVHVMHVJKKO-QGZVFWFLSA-N 295.386 3.545 30 20 CHED C=CCC[C@@H](NC[C@H]1CCCCN1C1CC1)c1ccco1 556878361 MOIHNJSQFQVWFS-IAGOWNOFSA-N 288.435 3.893 30 20 CHED C=C(CC)CN1Cc2ccc(Br)cc2C1 708026440 GVDWCHWBGRARAU-UHFFFAOYSA-N 266.182 3.731 30 20 CHED Cc1ccc(NN=Cc2ccc(-c3cnn(C)c3)s2)cc1 800803690 LDGRBDIVWLPAFT-UHFFFAOYSA-N 296.399 3.903 30 20 CHED C=C(CNC(=O)C=C1CCCCC1)c1ccccc1 807798689 YPEQQHMKOUHSGG-UHFFFAOYSA-N 255.361 3.707 30 20 CHED Cc1csc(NC(=O)C(F)=C2CCCC2)c1C#N 809005309 HMMSPCAIAQGLRC-UHFFFAOYSA-N 264.325 3.664 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(=Cc3ccccc3F)CC2)C1 292738019 HCMGVGSVQNFNBA-RDJZCZTQSA-N 284.378 3.997 30 20 CHED CSC1(C=NNc2oc(C(C)(C)C)nc2C#N)CCC1 800811164 JRFOGZKSJGWNGX-UHFFFAOYSA-N 292.408 3.527 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](C#N)C1 293347765 DLVVMSIZGHISFB-SMDDNHRTSA-N 282.309 3.829 30 20 CHED CC[C@](C)(NC(=O)CCCCCC#N)c1ccccc1 808380205 BAMLDNYRYAFZQS-KRWDZBQOSA-N 272.392 3.902 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)OCCO[C@H](C)C#N 801840329 LDXLNPXCHAGNFI-GDBMZVCRSA-N 295.423 3.701 30 20 CHED CC(=O)c1ccc(OCc2ccc(CC#N)cc2)cc1F 399010112 ACPRXYWZEVNDMS-UHFFFAOYSA-N 283.302 3.673 30 20 CHED C=CCCCCNC(=O)COc1ccc(C(C)C)cc1 471684690 JEXGKNVDJVQNCE-UHFFFAOYSA-N 275.392 3.661 30 20 CHED C[C@@H]1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)C(=O)c2ccccc21 809158788 DELCFANKZDPRCX-WULZRQGASA-N 295.294 3.684 30 20 CHED CCC[C@H](C#N)NC(=O)C(CC(C)C)CC(C)C 565931521 MXZJORUTQYOKPL-CQSZACIVSA-N 252.402 3.503 30 20 CHED C=CCCCCNC(=O)N(C)[C@H](C)c1ccc(F)cc1 472830720 FCCARIPRNPJRLP-CYBMUJFWSA-N 278.371 3.884 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(O)c(C)c2)no1 565917427 GIOQTTYTSRVTJV-OAHLLOKOSA-N 258.321 3.604 30 20 CHED C#CCCc1noc([C@@H]2CCC[C@@H]3CCCC[C@H]32)n1 809396915 RJKHCOPNOGMFIK-BFHYXJOUSA-N 258.365 3.709 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@@H](C)C(=O)c1ccccc1 644961221 IVJWRHKVIQTJEA-CQSZACIVSA-N 287.403 3.614 30 20 CHED CC(C)(C)C1CCC(OC(=O)c2cnccc2C#N)CC1 807927207 VZDDUSWAOYXMRJ-UHFFFAOYSA-N 286.375 3.715 30 20 CHED CCCCN(CCO[C@@H](C)C#N)[C@@H](C)c1ccc(C)o1 801915063 JDUSMHQNJPWOJF-GJZGRUSLSA-N 278.396 3.680 30 20 CHED C=CCCSCc1cn2cc(Br)ccc2n1 563731596 INBSNCMJUNXZCO-UHFFFAOYSA-N 297.221 3.906 30 20 CHED CCCCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[C@@H](C)C1 294105342 JQUPMVBSBMKXRS-CJNGLKHVSA-N 287.407 3.707 30 20 CHED C#CCCCCCC(=O)O[C@H](CC)c1ccc(F)cn1 803045222 QDYYMYRGNCQEMI-OAHLLOKOSA-N 277.339 3.799 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)CC1 474710624 YWLBAPZKBULWNE-RBGFHDKUSA-N 273.420 3.674 30 20 CHED C=CCOC(=O)c1occc1CSc1ccccc1 807633474 BIUXGMDEMYKQRO-UHFFFAOYSA-N 274.341 3.915 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CC(C)C 801850983 STIIEOVHYPOVJY-ZWKOTPCHSA-N 298.430 3.751 30 20 CHED Cc1c([C@H](C)Nc2cc(C#N)ncn2)oc2ccccc12 562420087 VWWCBXDYYFMADJ-NSHDSACASA-N 278.315 3.576 30 20 CHED C=CC[C@H](CC)NCC1CCN(C(=O)OC(C)(C)C)CC1 393756273 IAYXLSNRONVPSR-HNNXBMFYSA-N 296.455 3.578 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1c1ccsc1 488511637 YJEHAWBJKBDHKQ-CQSZACIVSA-N 286.400 3.713 30 20 CHED CC[C@H](C)[C@H](C)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 813212186 ZDSDEZHMKJMAMZ-NHCYSSNCSA-N 298.308 3.959 30 20 CHED COc1cccc2c1C/C(=C/c1cccc(F)c1C#N)C2=O 811693127 KJTSHIHXJBHFFH-WQLSENKSSA-N 293.297 3.528 30 20 CHED C=CCCCCOC(=O)C(C)(C)N(C)C1CCCC1 811010072 IIYUZDFTPXUPGV-UHFFFAOYSA-N 267.413 3.539 30 20 CHED C=CCn1cccc1C(=O)N(C)[C@@H](C)c1ccc(C)cc1 488371450 TWDNAZWNYGDUHG-HNNXBMFYSA-N 282.387 3.816 30 20 CHED OCCC[C@@H]1CCCCC1=NOC1CCCCC1 814910605 YUCXFANMDVZROY-ZDUSSCGKSA-N 253.386 3.654 30 20 CHED CCc1cnc(C=NNc2ccc(F)c(F)c2F)s1 814946551 REAPSFMPULNGEV-UHFFFAOYSA-N 285.294 3.569 30 20 CHED CC[C@]1(C/N=C/c2ccccc2O)OCCc2ccccc21 811624993 ZZLIUTMUSHNSGF-CVNFFVDQSA-N 295.382 3.689 30 20 CHED CN(C(=O)CC(C)(C)C#N)C1CCC(C(C)(C)C)CC1 481528850 OILRYWIUNUINSZ-UHFFFAOYSA-N 278.440 3.990 30 20 CHED CC(C)(C)c1ccc(COC(=O)CCCC#N)cc1 812617016 ZMUKWDJUWJFYRL-UHFFFAOYSA-N 259.349 3.721 30 20 CHED Cc1ccccc1/C=C1\Cc2ccc(C#N)cc2C1=O 811695383 FHCCREYBWGDHDV-CXUHLZMHSA-N 259.308 3.689 30 20 CHED CC(=NNc1cc(C)ccc1F)c1cc(C(=O)O)cs1 814872612 RXLCVOUJSXXPTL-UHFFFAOYSA-N 292.335 3.730 30 20 CHED CC(=NNc1nc(-c2ccccc2)cs1)c1c[nH]nc1C 814768751 ABEVHKSVTFFLIP-UHFFFAOYSA-N 297.387 3.678 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cccc(O)c1Cl 814917329 KCCQEYGBNWZTSE-LBPRGKRZSA-N 266.772 3.548 30 20 CHED CCCC(=NNc1ccnc(F)c1)c1ccc(OC)cc1 814902806 VXUKEJNXUNJKGK-UHFFFAOYSA-N 287.338 3.846 30 20 CHED C=CCCCCCn1cnc2c(Cl)cccc2c1=O 485538763 DUEZFZQXDLCNHR-UHFFFAOYSA-N 276.767 3.796 30 20 CHED Cc1ccc(C=NOCC(=O)Nc2cc(C)cc(C)c2)cc1 824676944 XKYCSDQXRIPAMQ-UHFFFAOYSA-N 296.370 3.601 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=S)N(CCC#N)CC(C)(C)C 729646156 OJSGRVNWJHUSOZ-KBPBESRZSA-N 295.496 3.701 30 20 CHED C=CCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 727930187 SVLNRNSAPSLOQW-NXEZZACHSA-N 271.143 3.826 30 20 CHED C=CCn1c(CC)nnc1N1CCC[C@@H](C(C)(C)C)CC1 571365664 PJLXKSNSWYZORW-CQSZACIVSA-N 290.455 3.679 30 20 CHED C=C(C)CN(CC)C(=O)CCSc1ccc(C)cc1 490212792 ZNLWGNOTTPYLFE-UHFFFAOYSA-N 277.433 3.902 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2ccc(SC)cc21 573249023 RVWQRCHIYOZDGH-BBWFWOEESA-N 289.444 3.719 30 20 CHED C=CC(C)(C)C(=O)Oc1cccc(Br)c1 822245597 ULSAODCPEMFBIX-UHFFFAOYSA-N 269.138 3.567 30 20 CHED N#CCC[C@H](NC(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1ccccc1 571032221 BWHUVYGCPOWJOY-QZWWFDLISA-N 282.387 3.584 30 20 CHED CC(C)C#CC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 822485368 NYWPGHHZGVCYDC-MRXNPFEDSA-N 294.398 3.533 30 20 CHED C=CCCCCC[C@H](C)NCc1ncccc1OC 825249468 IJZCTPKQIIWCMR-AWEZNQCLSA-N 262.397 3.705 30 20 CHED Cc1ccc(C=NNc2cnc3ccccc3n2)cc1C 727255764 FJJVSVZLRMMAKA-UHFFFAOYSA-N 276.343 3.693 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)CCC#N)C1CCCCC1 588327726 RXVITWUFIQRPST-OAHLLOKOSA-N 293.455 3.974 30 20 CHED N#Cc1csc(/C=C/c2cnc(C3CCC3)s2)n1 901543296 GRAUMQOEMRJEKL-SNAWJCMRSA-N 273.386 3.909 30 20 CHED C=CCCCCCCNC(=O)C1(C)CC(F)(F)C1 822918104 HSBPRMPTQWVBON-UHFFFAOYSA-N 259.340 3.675 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C2CC2)C1 588978207 PQYKBJLWMGCGPW-GUYCJALGSA-N 254.377 3.741 30 20 CHED C[C@@H](Nc1ccc(NC(=O)O)cc1)c1ccc(C#N)cc1 827773586 RGBIPNRNOATXJD-LLVKDONJSA-N 281.315 3.821 30 20 CHED CC#CCN(C)C(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 583462459 KBXWZAOOSVBTIF-CMKODMSKSA-N 295.426 3.517 30 20 CHED CC(=NNc1cc(C)ncn1)c1ccc(Cl)c(Cl)c1 731935733 OIYXGCUEZWMZGV-UHFFFAOYSA-N 295.173 3.928 30 20 CHED C/C=C/C=C/C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 491648038 YAYLQKUAXHOPDR-IAPZYBPDSA-N 294.276 3.519 30 20 CHED C=C(C)C(C)(C)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 821177450 GLJISKRIPLHMCJ-LLVKDONJSA-N 296.292 3.879 30 20 CHED C=C(C)C[C@H](NC1CCC2(CCCCC2)CC1)C(=O)O 901680387 XIFJAFXAYMCURG-HNNXBMFYSA-N 279.424 3.889 30 20 CHED N#Cc1ccc(NCCc2c[nH]c3cc(F)ccc23)cc1 496164024 DGNALJFHABGLGB-UHFFFAOYSA-N 279.318 3.833 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cncc(Cl)c2)no1 664922310 MLHPHCFXHAZLGP-UHFFFAOYSA-N 263.728 3.639 30 20 CHED N#Cc1cccc(C(=O)OCCCCC2(C#N)CCC2)c1 908691742 ZRGGMGSLUGYCKJ-UHFFFAOYSA-N 282.343 3.579 30 20 CHED C=C(C)C[C@H](C)c1nc([C@H](C)c2ccncc2)no1 581037733 QQMRWZPUDOLMRO-NWDGAFQWSA-N 257.337 3.686 30 20 CHED C#CCC[C@H](C)OC(=O)c1csc(-c2ccccc2)n1 839033935 KJHUBFGIPOBQND-LBPRGKRZSA-N 285.368 3.769 30 20 CHED N#Cc1cc(N2CCC[C@@H]2CCC2CCCC2)ccn1 581446017 ACQQOZCLLHZVMT-MRXNPFEDSA-N 269.392 3.892 30 20 CHED Cc1nn(C(C)C)c(C)c1C=NN[C@@H](C)c1ccccc1 901172676 LHEZEXRMSFZCQG-ZDUSSCGKSA-N 284.407 3.766 30 20 CHED C=C(C)[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(F)c(F)c1 837539475 ZFECNGARCFSZFJ-MRXNPFEDSA-N 291.341 3.748 30 20 CHED CCCCCCCCCC(=O)NCc1ccc(O)nc1 736169532 VPVLDEHZZOWPSF-UHFFFAOYSA-N 278.396 3.544 30 20 CHED CCCCCCCC(=O)N(Cc1cnn(C)c1)CC(C)C 837267523 AZIXMYXUPQUVRW-UHFFFAOYSA-N 293.455 3.765 30 20 CHED CSc1c(F)cccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 839058721 LGHIXCXGZRUNHU-QWRGUYRKSA-N 293.363 3.787 30 20 CHED CC(C)C[C@H](C)CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839051874 OVPMTKMVKIDUCX-BFHYXJOUSA-N 251.370 3.684 30 20 CHED O=C(C#CC1CC1)Nc1ccc(NC2CCCCC2)cc1 837379639 LFOFREFHSGNWFJ-UHFFFAOYSA-N 282.387 3.783 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CCCCCC#N 588160513 ZBUQHXKGMNZZEV-UONOGXRCSA-N 264.413 3.791 30 20 CHED Cc1ccc(C=NNc2cnnc3ccccc23)cc1F 733748034 CLBORUXRXSBJPM-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C=C(Cl)CNC(=O)Nc1ccccc1C(C)(F)F 836729950 JVGKRYWWLAGLFI-UHFFFAOYSA-N 274.698 3.672 30 20 CHED CC(C)(C)C#CC(=O)NCC1(c2ccc(Cl)cc2)CC1 837389873 AKYYDFRVWLIZKI-UHFFFAOYSA-N 289.806 3.537 30 20 CHED N#CCOc1ccc(CN(c2ccccc2)C2CC2)cc1 832156012 BDZBKDKZPQRSKV-UHFFFAOYSA-N 278.355 3.758 30 20 CHED C=CC(C)(C)COC(=O)[C@H](c1cccnc1)C(C)C 835721458 KIAHILFNADAKPD-AWEZNQCLSA-N 261.365 3.577 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N1CC2(CCCCC2)[C@H]1C(C)C 580290161 WXSJEBUGCBEWKT-MRXNPFEDSA-N 299.418 3.626 30 20 CHED Cc1c(C(=O)/C=C/c2ccccc2OCC(C)C)cnn1C 834434561 NBROPNKULGDWNZ-MDZDMXLPSA-N 298.386 3.659 30 20 CHED C[C@H](C/N=C\c1cc2ccccc2nc1O)c1nccs1 588435164 HVLHUBBEDBTWDT-VBYYMIJXSA-N 297.383 3.620 30 20 CHED CCOc1cccc(C=Nc2ccc(F)c(OC)c2)c1O 588534375 FSFKXVAWHCGMJB-UHFFFAOYSA-N 289.306 3.689 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)C1CCSCC1 835020834 PYHGQPVTIWCDAX-MRXNPFEDSA-N 292.423 3.922 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccnc1Oc1ccccc1 674978972 ZXKACZPYUGYZCT-GFCCVEGCSA-N 283.331 3.570 30 20 CHED C=C(CNC(=O)CCCc1ccccc1)c1ccccc1 672482331 GGWFHQUTTSZVOJ-UHFFFAOYSA-N 279.383 3.839 30 20 CHED C=CCCOc1ccc2c(C(C)C)cc(=O)oc2c1 739433023 SYGZNHXOVUQDIW-UHFFFAOYSA-N 258.317 3.871 30 20 CHED C=CCCCOC(=O)C[C@H](C)Cc1ccccc1OC 735532217 AWQSWIOWHVZPOS-CQSZACIVSA-N 276.376 3.773 30 20 CHED N#CCC[C@H](C#N)CN1CCC[C@H](C2CCCCC2)C1 595881730 VFFNCSGKGIFPQK-WBVHZDCISA-N 273.424 3.722 30 20 CHED C[C@]1(C#N)CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 599750823 IAPCASPXQCBALI-GOSISDBHSA-N 288.435 3.745 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1 749002145 ZQXYQYLNEBBPKV-XVNBXDOJSA-N 268.703 3.503 30 20 CHED C=C(C)CNC(=S)Nc1cccc(Oc2ccccn2)c1 743039926 UNROYQGIHFCMQW-UHFFFAOYSA-N 299.399 3.736 30 20 CHED CC#CCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 744974419 HRKIEQQQTHMELK-VXGBXAGGSA-N 283.154 3.663 30 20 CHED N#Cc1ccc(NN=Cc2coc3ccccc23)cc1 746565455 PJUHSFWJJYRDKB-UHFFFAOYSA-N 261.284 3.750 30 20 CHED C=C(C)[C@H](CC(=O)N(C1CCCCC1)C1CC1)OCC 677302154 KDSZRYNWHABMTF-INIZCTEOSA-N 279.424 3.681 30 20 CHED CC(C)CCOc1ccccc1NC(=O)CCCC#N 594080080 GPNRQPJWEQKXHV-UHFFFAOYSA-N 274.364 3.744 30 20 CHED COc1cc2ccccc2cc1C(=O)OCCCCC#N 747659664 IWEGFJRLMFMMBN-UHFFFAOYSA-N 283.327 3.699 30 20 CHED C#CCN(Cn1ccn(C(C)C)c1=S)C1CCCCC1 744153784 GTZWIEJWRYHVDV-UHFFFAOYSA-N 291.464 3.825 30 20 CHED C[C@H](/N=C/c1ccccc1O)c1ccc(-n2cccn2)cc1 743501417 LPYWVYROODIDAD-ITRAFESCSA-N 291.354 3.758 30 20 CHED CCc1nocc1CSCc1ccc(C#N)cc1C 594569698 LMTINSZGQYVTOH-UHFFFAOYSA-N 272.373 3.851 30 20 CHED CC(C)(C/N=C\c1cc(Cl)ccc1O)c1ccccn1 840705561 DZDNXMAWJHBBFV-ZDLGFXPLSA-N 288.778 3.837 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)c2cncc(F)c2)c(O)c1 840709938 GNBRMYOSHDZTQI-FBRGWYAUSA-N 288.322 3.505 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCc3ccc(F)cc32)cc1 594712253 UJXLIBAJRPIFLZ-GOSISDBHSA-N 280.346 3.517 30 20 CHED C#C[C@H](C)OC(=O)c1ccccc1N(C)c1ccccc1 744178536 CPTVISNFLAQVRP-AWEZNQCLSA-N 279.339 3.633 30 20 CHED CCC(CC)[C@H](CC/N=C\c1ccccc1O)OC 746522665 PKNZJTVFDBKJHI-BQGMYUGNSA-N 263.381 3.652 30 20 CHED Cc1cc(-c2ccc(N3CCCC3)nc2)ccc1CC#N 592986196 FFFHOMBZDFVSDP-UHFFFAOYSA-N 277.371 3.723 30 20 CHED CC[C@H](C#N)C(=O)N(CCc1ccccc1)C1CCCC1 593432739 VIHWJTPEIZRJRL-MRXNPFEDSA-N 284.403 3.550 30 20 CHED CCO[C@H]1CC(=NOCc2cccnc2)C12CCCCC2 746587364 NTUARLLMFMSBOZ-INIZCTEOSA-N 288.391 3.714 30 20 CHED CCCC[C@H](C)C(C)=NNc1ncc(Br)cn1 848420120 PWGKVOULLJHQGA-VIFPVBQESA-N 299.216 3.853 30 20 CHED COc1cc(C)nc(NN=C(C)c2cc(C)c(C)cc2C)n1 747634214 BCIIWOBYLFFIIR-UHFFFAOYSA-N 298.390 3.555 30 20 CHED CC(C)n1cc(C=NNc2ccc(Cl)c(F)c2)cn1 747636978 WZQQLNZSVWPDSP-UHFFFAOYSA-N 280.734 3.703 30 20 CHED C=CC[C@@H](NC(=O)N1CC(C)(C)C[C@@H]1C)c1ccncc1 840299821 GWGFQZKJMAKZDU-DZGCQCFKSA-N 287.407 3.529 30 20 CHED Cc1ccc([C@H](NCC2(CC#N)CC2)c2cccnc2)cc1 926344639 LSCQINLRTOVFLL-SFHVURJKSA-N 291.398 3.763 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 924697191 PSRQPWZKJPBFNF-QWHCGFSZSA-N 299.418 3.550 30 20 CHED CC[C@@H](COC(=O)c1ccc(F)c(C#N)c1)CC(F)F 849774270 PRESXOSPJIEAMU-SECBINFHSA-N 285.265 3.536 30 20 CHED CC(C)c1ccc(NC(=O)CCCCCC#N)cn1 928619619 UQEDVLMJEUTZJH-UHFFFAOYSA-N 259.353 3.618 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1ccc2[nH]ccc2c1 926356801 DYWXFMMNLOGANY-CYBMUJFWSA-N 269.392 3.628 30 20 CHED CC1(C)CCC/C(=C/c2ccc3c(c2)OCCO3)C1=O 757535397 SGGBPIBLPSRFAO-RAXLEYEMSA-N 272.344 3.620 30 20 CHED CCOc1ccc(C=NN[C@@H](C)c2ccccc2)cc1 920385642 FAGCJONRWGXIIM-AWEZNQCLSA-N 268.360 3.770 30 20 CHED CC(C)c1nc(C#N)c(NN=C2c3ccccc3C[C@@H]2C)o1 751133992 SJRLFHZNYVWUFA-NSHDSACASA-N 294.358 3.678 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1CSCCS1 755495632 NRJIESBXYHAKES-CYBMUJFWSA-N 289.510 3.702 30 20 CHED COC1(c2noc(-c3cc(C#N)ccc3C)n2)CCCCC1 924084332 PEMAPZLMALJBNS-UHFFFAOYSA-N 297.358 3.723 30 20 CHED COc1ccc(C=NNCc2cccc(Cl)c2)cc1F 756831095 HBOIUIITNVZXDZ-UHFFFAOYSA-N 292.741 3.611 30 20 CHED C=C[C@H](C)NC(=O)N1CCC(C2CCCCC2)CC1 756975647 ZOTYONZWPFJACT-ZDUSSCGKSA-N 264.413 3.563 30 20 CHED C=C[C@@H](OC(=O)C[C@H]1CSCCS1)c1ccccc1 851451216 FTIAZLHVKHLEFC-UONOGXRCSA-N 294.441 3.696 30 20 CHED C#C[C@H](CC)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 754368859 RUCRACMOLSUDTR-WOPDTQHZSA-N 296.197 3.625 30 20 CHED CCCCC(COC)=NNc1cc(C)ccc1F 759652983 NKGQRAWMQZBZRX-UHFFFAOYSA-N 252.333 3.739 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(CC#N)cc2)cc1 759207192 QPSRFOMCBYFXHR-UHFFFAOYSA-N 293.322 3.537 30 20 CHED Cc1cc(F)c(C(=O)O[C@H](C)CC(C)(C)C#N)cc1F 851209082 IDQICGUKVPGNRB-SNVBAGLBSA-N 281.302 3.758 30 20 CHED Cc1cc(F)ccc1NN=C1C(=O)Nc2c(C)ccc(C)c21 750939001 SDWVJNYLVCLJLF-UHFFFAOYSA-N 297.333 3.519 30 20 CHED CC(=NNC1CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl 758134149 YBOVZWKVOVQLGP-SECBINFHSA-N 287.190 3.889 30 20 CHED N#Cc1cc(C(=O)Oc2cccc(F)c2F)ccc1Cl 754226771 SKVWIWRRQGITOO-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 753148341 GNFXNLKNDTWNLD-GJZGRUSLSA-N 292.810 3.765 30 20 CHED C#CCN(C(=O)[C@@H](C)c1ccc(CC(C)C)cc1)C1CC1 759157879 QEJPYUJNWOBUHV-HNNXBMFYSA-N 283.415 3.613 30 20 CHED COc1ccc(O)c(C(=O)/C=C\c2cc(F)cc(F)c2)c1 755600151 YWNUZLPCQAHJQR-RQOWECAXSA-N 290.265 3.575 30 20 CHED C=CCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)C(C)C 755195880 WTKGXOOCJMIPQC-UHFFFAOYSA-N 289.272 3.881 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)cc1OC)C(C)C 930347440 HYCHKNSAKGGPJD-UHFFFAOYSA-N 288.391 3.608 30 20 CHED COc1ccsc1/C=C/C(=O)c1sccc1OC 769744035 DVNPFPVZZMMLSM-ONEGZZNKSA-N 280.370 3.723 30 20 CHED CCn1nc(/C=C\C(=O)c2cncc(C)c2)c2ccccc21 769746092 CGTDPGUZXUGWJK-HJWRWDBZSA-N 291.354 3.656 30 20 CHED C#CCCN(Cc1cccc(C)c1)Cc1ccco1 760852104 QSNXSYMNEVEQHE-UHFFFAOYSA-N 253.345 3.614 30 20 CHED C#CCN(CC)C(=O)[C@H](c1cccc(Cl)c1)C(C)C 764212196 VLSDLNCFBWVNRB-HNNXBMFYSA-N 277.795 3.561 30 20 CHED CC(C)C[C@@]1(CO)CCCN1CCCCC1(C#N)CCC1 930257192 ZSXJRVYJSRHCCY-GOSISDBHSA-N 292.467 3.724 30 20 CHED C#CCCCCNC(=O)[C@H](CC)C1CCC(C)CC1 763509896 VNHNKPSGNALJKX-UYSNPLJNSA-N 263.425 3.759 30 20 CHED CC(C)(C#N)CCSc1nc2ncccc2s1 865375392 RIBWTTKNOVIQTE-UHFFFAOYSA-N 263.391 3.723 30 20 CHED C#CC[C@@H](Nc1nc(C)cc(CC)n1)c1ccccc1 766087893 GWPXWOXBFKEGLG-MRXNPFEDSA-N 265.360 3.524 30 20 CHED C=CCc1cc(CN2CC[C@H](C)[C@H](C)C2)c(O)c(OC)c1 766379134 AAHSPIVTSCEWFU-UONOGXRCSA-N 289.419 3.607 30 20 CHED C=C(Cl)CN(C)C[C@H](C)Cc1ccc(OC)cc1 761741297 WFCUCYLWNUTMAH-GFCCVEGCSA-N 267.800 3.558 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(Cl)ccc1O 767373770 OVAVSVGHLLPVHT-UHFFFAOYSA-N 299.761 3.840 30 20 CHED CCc1oc2ccccc2c1C=NOCC(F)(F)F 764847288 XSMCKXPUTJMPNX-UHFFFAOYSA-N 271.238 3.908 30 20 CHED N#Cc1cc(Cl)nc(NN=C[C@@H]2CCc3ccccc32)c1 768372504 AMXTVHDJDBIXPH-ZDUSSCGKSA-N 296.761 3.734 30 20 CHED CCO[C@@H]1CCCC1=NNc1ccc2ccccc2n1 766432283 VZYKOTULDXDQDX-OAHLLOKOSA-N 269.348 3.592 30 20 CHED Cc1nc2ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc2s1 764040689 GVAHYDUXQTYMTF-VIFPVBQESA-N 288.372 3.700 30 20 CHED C=C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 769340750 XRKGTXRBJULRAQ-UHFFFAOYSA-N 272.175 3.851 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)cc1C#N)OCC 1119425725 KHXVFBINIROWCX-CQSZACIVSA-N 292.766 3.521 30 20 CHED C#CCCCCCC(=O)N[C@@H](CCC)c1ccccn1 779915392 YZUFLVSCRRIQPN-INIZCTEOSA-N 272.392 3.623 30 20 CHED C/C=C(/C=C/C(=O)O[C@@H](C#N)C1CCCCC1)CC 776395480 KUTPYQZIBNOOQL-NGXFUBOFSA-N 261.365 3.915 30 20 CHED C=C(C)CNC(=O)/C=C\c1ccccc1O[C@@H](C)CC 777835295 VFOJXTDOIFBUBF-BMSUMIBZSA-N 273.376 3.569 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@@H](C(C)C)c2ccccc21 772916412 JFCNGBVGVIYVEB-HNNXBMFYSA-N 269.388 3.822 30 20 CHED C#CCCCCC(=O)Oc1ccc(OC)c2ccccc12 773781039 UKDTUIBNJNNTFJ-UHFFFAOYSA-N 282.339 3.947 30 20 CHED CN(C(=O)OC(C)(C)C)C(C)(C)C=NNc1ccccc1 770588414 HGMBZLDZPMEGMT-UHFFFAOYSA-N 291.395 3.730 30 20 CHED Cc1ccc(F)c(C(=O)O[C@H](C)c2cccc(C#N)c2)c1N 783302312 SQMMFIOQDXPZPO-LLVKDONJSA-N 298.317 3.506 30 20 CHED Fc1cc(F)cc(NN=Cc2ccc3cnccc3c2)c1 782201388 OSUUAQOSBVBRFC-UHFFFAOYSA-N 283.281 3.959 30 20 CHED Cc1ccc(NN=Cc2ccc3cnccc3c2)cc1 782112222 XJZZZTQKSASCOJ-UHFFFAOYSA-N 261.328 3.989 30 20 CHED CCC1(C=NNCc2cccc(Cl)c2)CCOCC1 781126007 ZDDHCADCHAQODE-UHFFFAOYSA-N 280.799 3.622 30 20 CHED C=CCC[C@H](NC(=O)N1CC[C@H](CF)C1)c1ccccc1 883524722 HHJXAWSBDHCHEG-ZBFHGGJFSA-N 290.382 3.695 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NNC1CCCC1 785453493 KABSYKITGJHDID-UHFFFAOYSA-N 270.298 3.880 30 20 CHED COc1ccc(CNC2(C)CCC(F)(F)CC2)cc1C#N 784621264 HVKGVMCFVUTECN-UHFFFAOYSA-N 294.345 3.624 30 20 CHED C=CCN(Cc1cnc(F)c(C)c1)Cc1cccs1 891509412 NKLNPADEISANBL-UHFFFAOYSA-N 276.380 3.779 30 20 CHED C#CCC1(C(=O)N[C@H](CC)CC(F)(F)F)CCCCC1 788458842 IIQCGTMRDSBQJJ-GFCCVEGCSA-N 289.341 3.807 30 20 CHED Cc1nsc(N(C)C(=O)C2CCCCCCC2)c1C#N 891434125 XIFCANSDFRZEIE-UHFFFAOYSA-N 291.420 3.647 30 20 CHED C=C1CC(c2noc([C@H]3CC34CCSCC4)n2)C1 896876755 LFDMMPRIOBGELG-LLVKDONJSA-N 262.378 3.504 30 20 CHED CC(C)(CCC#N)CNc1cc(C2CC2)nc(C2CC2)n1 893865977 DZVSCZKKZMRUAV-UHFFFAOYSA-N 284.407 3.973 30 20 CHED COc1cccc(NN=CCc2cccc(Cl)c2)c1 794888822 MDMOYAXOSPUVQQ-UHFFFAOYSA-N 274.751 3.989 30 20 CHED CC(=NNc1ncccc1C)c1ccc(C)c(C)c1O 790190851 MTNFMYJHKPMBHZ-UHFFFAOYSA-N 269.348 3.549 30 20 CHED C#CCN(C(=O)c1cc(C(C)C)nc2ccccc12)C1CC1 790992734 RACQLWCEILSFJH-UHFFFAOYSA-N 292.382 3.596 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1cc(C#N)ccc1NC 1138966725 SGNDEBRAHINJHU-UHFFFAOYSA-N 297.333 3.554 30 20 CHED CC(C)Cc1ccccc1C(=O)N[C@@H](C#N)CC(C)C 792545907 PCULYUBJTWHMSJ-OAHLLOKOSA-N 272.392 3.553 30 20 CHED C[C@]1(C=NNCc2ccccc2Cl)CCCS1 792986367 MJFHOFOHBZQMJS-CYBMUJFWSA-N 268.813 3.701 30 20 CHED CC(C)(CCC#N)COC(=O)c1cncc2ccccc12 798875881 DBVFUDPWEYSZBK-UHFFFAOYSA-N 282.343 3.722 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@](C)(CC)c1ccccc1 798407529 BKBKOKVWWJWELF-WBVHZDCISA-N 274.408 3.966 30 20 CHED C=C(Cl)CN[C@H]1CCCCc2cc(C#N)ccc21 795800030 CVDJWPNMLIWNPY-HNNXBMFYSA-N 260.768 3.668 30 20 CHED C#Cc1cccc(N(C)C(=S)Nc2ccsc2)c1 790318258 BLWLOINKHJOIQU-UHFFFAOYSA-N 272.398 3.563 30 20 CHED C=CCC(C)(C)C(=O)OCC(=O)C(C)(C)c1ccccc1 796472818 CZWGJJVIZLCYPF-UHFFFAOYSA-N 288.387 3.679 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1Cc1cccc(F)c1C#N 1205789165 KTPBMEUEKDGWDG-RDJZCZTQSA-N 274.383 3.810 30 20 CHED Cc1cc(Cl)ccc1C=NNc1ncccc1C 790185100 BQTQEWSQGYVFST-UHFFFAOYSA-N 259.740 3.798 30 20 CHED C[C@@H](NN=Cc1cc(F)cc2cccnc12)C(C)(C)C 793115256 QIXBILXNFGLVRX-LLVKDONJSA-N 273.355 3.732 30 20 CHED CCCCCCCCC(=O)NCCc1cccc(C)n1 791821277 CBAMOOSXDYWTQC-UHFFFAOYSA-N 276.424 3.799 30 20 CHED C=CC1CCN(C(=O)c2ccccc2CC(C)C)CC1 790623678 KVUCFCIMZWGJAG-UHFFFAOYSA-N 271.404 3.923 30 20 CHED CC1(c2ccccc2)CCC(=NNc2cncnc2)CC1 794978714 QOOVFVQAPJKFDS-UHFFFAOYSA-N 280.375 3.776 30 20 CHED CC[C@H](C)CCNc1nccc(Oc2cccc(C#N)c2)n1 1307159703 CMNMVXARDMFPRM-ZDUSSCGKSA-N 296.374 3.989 30 20 CHED Cc1c(Cl)cnc(NCCC(C)(C)C)c1C#N 1161677174 JDPIRWPERCGLEF-UHFFFAOYSA-N 251.761 3.763 30 20 CHED C=C(CNc1ncnc(-c2ccccc2)n1)c1ccccc1 1163443891 CGPIHTBFAPGHIK-UHFFFAOYSA-N 288.354 3.664 30 20 CHED Cc1cc(SCCn2cc(Cl)cn2)ccc1C#N 1307361626 MXHIETSEFMDQQT-UHFFFAOYSA-N 277.780 3.509 30 20 CHED N#C[C@H](CC(F)F)C1CCN(Cc2ccccc2)CC1 1537963561 SRUVIIGLMKPBDT-HNNXBMFYSA-N 278.346 3.694 30 20 CHED C[C@H](OC(=O)CC#Cc1ccccc1)c1ccccc1 1319118066 RLODPUGVFKDJNQ-HNNXBMFYSA-N 264.324 3.733 30 20 CHED CC(C)CC(CC(C)C)C(=O)OCc1ccc(C#N)cn1 1328235654 KNLDAWWFPQSEDP-UHFFFAOYSA-N 288.391 3.705 30 20 CHED CC[C@H](C)c1nnc(CSc2ccc(C#N)cc2)o1 1326230246 AQDPWDPTXLQFRY-JTQLQIEISA-N 273.361 3.747 30 20 CHED CC(C)[C@@H](NC(=O)c1csc(C#N)c1)c1ccccc1 1328233033 MTOBBRBICYJAGN-OAHLLOKOSA-N 284.384 3.747 30 20 CHED C=CCn1cnnc1S[C@@H](C)c1cccc(Cl)c1 1321897477 DHFOIDJAOWTBFB-JTQLQIEISA-N 279.796 3.971 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CC=CC1 595336508 ZKGZMIOOLLFQIJ-ROUUACIJSA-N 266.388 3.724 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)C2CCCC2)c1 749375491 JPBCOECKWNJRFV-AWEZNQCLSA-N 269.388 3.847 30 20 CHED Cc1ccc2c(c1)CN(c1ncc(Cl)c(C)c1C#N)CC2 1186966801 ZIWSFTNEMOAZAQ-UHFFFAOYSA-N 297.789 3.786 30 20 CHED N#Cc1ccc(OCc2nnc(C3CCCCCC3)o2)cc1 1257686470 FXRWFNZPXDRLMZ-UHFFFAOYSA-N 297.358 3.958 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)/C=C/c1ccc(Cl)nc1 1337487824 GZKWFACXPJOEEM-QSYFUGGGSA-N 290.794 3.705 30 20 CHED C=CC1CCN(Cc2ccc(N3CCCC3)cc2)CC1 1337032811 KXELFLUCGCZXGW-UHFFFAOYSA-N 270.420 3.685 30 20 CHED C[C@H]1CC(NC(=O)[C@H](CC#N)c2ccccc2)C[C@H](C)C1 1265331117 SGUFTPISOXVUFB-CKEIUWERSA-N 284.403 3.625 30 20 CHED C#CC[C@H](C)OC(=O)c1cncc(-c2ccc(Cl)cc2)c1 1343311991 JQDHSJCFOISJHL-LBPRGKRZSA-N 299.757 3.971 30 20 CHED C#C[C@@H](OC(=O)[C@H](F)CC)c1cccc(C(F)(F)F)c1 1343746389 UWILZUCZQFENJC-VXGBXAGGSA-N 288.240 3.671 30 20 CHED Cc1ccc(C(=O)[C@@H](C#N)c2cccc(F)n2)c2c1CCC2 1344655257 KCFRSFYYOOOZQD-HNNXBMFYSA-N 294.329 3.508 30 20 CHED C=CCN(C(=O)[C@@H](C)c1ccc(F)cc1F)C(C)(C)C 1348040956 NTEAGYQKLXLUBP-NSHDSACASA-N 281.346 3.881 30 20 CHED COc1ccc2oc(C)c(C(=O)O[C@H]3CC[C@H](C#N)C3)c2c1 1357610909 PMRIBQSUORUXDG-AAEUAGOBSA-N 299.326 3.599 30 20 CHED CC1CCC(C)(CNC(=O)c2ccc(F)c(C#N)c2)CC1 1436140832 LAGMJSRCGSWCKJ-UHFFFAOYSA-N 288.366 3.644 30 20 CHED Cc1cc(F)cc(N[C@H]2CCc3cc(C#N)ccc32)n1 1354178983 YXJDXTSSIJTNAG-HNNXBMFYSA-N 267.307 3.500 30 20 CHED CCn1ccc(CN(C)CCCCC2(C#N)CCC2)c1 1354698726 XQGVREMULYWUJZ-UHFFFAOYSA-N 273.424 3.804 30 20 CHED C=C(C)COCCN[C@H]1CC[C@H](C)c2ccccc21 163518557 HJQVFIFJWAAENF-YOEHRIQHSA-N 259.393 3.807 30 20 CHED CCCc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)s1 1528489262 HCGYITQZXRJNGO-VXGBXAGGSA-N 277.389 3.940 30 20 CHED Cc1ccc(C)c(C(=O)O[C@@H](CC#N)c2ccco2)c1 1520425157 JSLKYNLFMICXLE-HNNXBMFYSA-N 269.300 3.708 30 20 CHED CCC[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 1521858397 KHDIMHKCDOJTDD-XJKSGUPXSA-N 285.391 3.593 30 20 CHED C=C(Br)CNC(=O)CCC1CCCCCC1 1464587324 QQMIXFUEBBFFGK-UHFFFAOYSA-N 288.229 3.762 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CC#N)cc2)c1 1535455433 MGCZBFBFPPXJOK-OAHLLOKOSA-N 292.382 3.861 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2cccc3oc(C)nc23)c1 1460867608 ZYXZDRMPNXGUJZ-UHFFFAOYSA-N 291.310 3.569 30 20 CHED CC(C)[C@H]1CCCCCN1C(=O)c1ccc(F)c(C#N)c1 1537110993 DBXIWZJVNCCDOF-MRXNPFEDSA-N 288.366 3.738 30 20 CHED Cc1cc(=N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(C#N)c[nH]1 1612297948 QVDZWAJTNKQTCJ-SAZUREKKSA-N 297.789 3.695 30 20 CHED COc1ccc(NC(=O)[C@H]2CCCCC2(C)C)cc1C#N 1544961836 GZECHFTUVDKKBQ-CQSZACIVSA-N 286.375 3.722 30 20 CHED CCC(=O)c1ccccc1NC(=O)c1cccc(CC#N)c1 1623833232 OGKNQUKKJDOAFI-UHFFFAOYSA-N 292.338 3.598 30 20 CHED C=C(CNc1nnc(CC)c(CC)c1C#N)c1ccccc1 1559206071 PJYBAHGJHCOTNL-UHFFFAOYSA-N 292.386 3.598 30 20 CHED COC(=O)[C@H](Sc1ccc(C#N)c(C)c1)c1ccccc1 1559429263 MLIKRHUWYNOOPV-MRXNPFEDSA-N 297.379 3.873 30 20 CHED CC(C)C1(C)CCN(C(=O)c2ccc(C#N)cc2F)CC1 1633417994 DEMHSSDMPAWFMW-UHFFFAOYSA-N 288.366 3.596 30 20 CHED N#Cc1cc(F)cc(NC[C@@H]2CCc3ccccc32)c1 1560968590 PPVUCURFCSBJJW-AWEZNQCLSA-N 266.319 3.839 30 20 CHED C[C@H](NC(=O)c1ccccc1CC#N)c1ccc(Cl)cc1 1570150556 LPFRRUXPDTYMAD-LBPRGKRZSA-N 298.773 3.897 30 20 CHED CN(Cc1cc(C#N)ccn1)Cc1csc2ccccc12 1644316698 CNBSDWINSXOGHJ-UHFFFAOYSA-N 293.395 3.800 30 20 CHED C=C(Cl)CN(C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1646026123 LACXFWBUUKRLGY-GJZGRUSLSA-N 279.811 3.917 30 20 CHED CC[C@@]1(C)CCCN(c2ncc(Cl)c(C)c2C#N)C1 1650790843 OKNLUJYIMPXXCE-HNNXBMFYSA-N 277.799 3.932 30 20 CHED CC(C)[C@H](CNc1ccc(C#N)cn1)Cc1ccccc1 1651760565 QOSFSOWWMNCTJR-KRWDZBQOSA-N 279.387 3.880 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1ccc(C(=O)O)c(C)c1 1588770968 KSTJDVLKKUZVAG-DOTOQJQBSA-N 287.403 3.918 30 20 CHED C#Cc1ccc(NCc2cc(C(=O)O)oc2C)c(Cl)c1 1588518202 VJRKSMAUAZEHBJ-UHFFFAOYSA-N 289.718 3.533 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H]1c1ccc(F)cc1 1642911752 XCTRLXCTHOWCMK-OAHLLOKOSA-N 270.282 3.788 30 20 CHED CSc1cccc(NC(=O)Nc2ccnc(C#N)c2)c1C 1673535614 CBWCDNGWXVFLBY-UHFFFAOYSA-N 298.371 3.628 30 20 CHED CC[C@@H](C)[C@@H]1CCC(=NNc2cccc(C(=O)O)c2)C1 1776037312 YICDTIUFICZMDG-VXGBXAGGSA-N 274.364 3.999 30 20 CHED C=CCC1(C(=O)O)CCN(Cc2cccc(Cl)c2)CC1 1776162518 NUTDKBREPUMVCF-UHFFFAOYSA-N 293.794 3.583 30 20 CHED CC1(C)CCC[C@@H](C=NNc2cccc(C(=O)O)c2)C1 1776037015 HDWCUMVORWMOFC-GFCCVEGCSA-N 274.364 3.999 30 20 CHED O=C(O)c1ccccc1NN=CCCC1CCCC1 1776032198 RWLJVQOGABICIO-UHFFFAOYSA-N 260.337 3.753 30 20 CHED Cc1c(NN=C[C@H]2CCCC[C@@H]2C)cccc1C(=O)O 1776087552 ITRDQCVOXJWDKH-WCQYABFASA-N 274.364 3.917 30 20 CHED COc1cc(Br)cc(NCCC(C)(C)C#N)c1 169098428 JSRYLUUJWGFFKG-UHFFFAOYSA-N 297.196 3.809 30 20 CHED C=CCCSCC(=O)N[C@H](C)c1ccccc1Cl 151976810 YIVGKXYJNBEXSG-LLVKDONJSA-N 283.824 3.827 30 20 CHED N#Cc1ccc(NC(=O)/C=C/SCc2ccco2)cc1 152059920 SYDYDBQVPWJNPO-VQHVLOKHSA-N 284.340 3.537 30 20 CHED O=C(/C=C/c1ccc2c(c1)CCO2)c1ccccc1F 156587346 ZSCWBFBXKKRYQS-FNORWQNLSA-N 268.287 3.657 30 20 CHED O=C1/C(=C\c2cccc(F)c2F)Cc2ccccc21 209917203 WHZTXVQLBYFNDF-XFXZXTDPSA-N 256.251 3.787 30 20 CHED Cc1ccccc1CC(=O)Nc1ccc(C#N)cc1Cl 225782019 DKYWLZGQCGHNFR-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C#CCCCCN[C@@H]1CCCc2c1[nH]c1ccccc21 229639015 FLTAHDHVOFBMKX-QGZVFWFLSA-N 266.388 3.938 30 20 CHED N#C[C@H](NC(=O)c1ccc(Cl)cc1F)C1CCCCC1 40360357 LQHSHOJZLHHFMB-AWEZNQCLSA-N 294.757 3.681 30 20 CHED COCc1ccccc1CNc1ccc(C#N)c(Cl)c1 61846083 RIDPUWJJRPISOF-UHFFFAOYSA-N 286.762 3.970 30 20 CHED CC(C)[C@H]1CN(c2ccc(Cl)cc2C#N)CCS1 301477556 UFLWCENTNXEUOE-CQSZACIVSA-N 280.824 3.789 30 20 CHED CC(C)[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CCO1 70349849 CCTMGSLXYVEWLQ-UKRRQHHQSA-N 278.783 3.827 30 20 CHED CC(C)C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 307823423 DLCHFLSHHVSUAA-AWEZNQCLSA-N 260.356 3.565 30 20 CHED C[C@H](NCC1(C(F)(F)F)CCC1)c1cccc(C#N)c1 507236199 XILTVWSBQZDMDU-NSHDSACASA-N 282.309 3.941 30 20 CHED C#CCCNc1cc(Br)ccc1OC(C)C 309340290 KBQIIJXHETXQAS-UHFFFAOYSA-N 282.181 3.672 30 20 CHED CCC(C#N)(CC)C(=O)N1CC[C@@H](C2CCCCC2)C1 600101796 YBTSVVOJHNWXPT-OAHLLOKOSA-N 276.424 3.745 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccc2c(c1)CCO2 311888913 OCOWAIXJRGKYBS-ZDUSSCGKSA-N 259.393 3.874 30 20 CHED Cc1cc(CSc2n[nH]c(C(C)(C)C)n2)ccc1C#N 331316363 AEMIKXXTIZDDCD-UHFFFAOYSA-N 286.404 3.575 30 20 CHED COc1ccc(CNc2ccc(SC)cc2)cc1C#N 87822293 PRLOZWVWGAUDND-UHFFFAOYSA-N 284.384 3.901 30 20 CHED C=CCCCN(Cc1ccccc1)C[C@](C)(O)CC 439258645 FSZILZIMANFLFW-QGZVFWFLSA-N 261.409 3.616 30 20 CHED CN(Cc1ccc(C#N)cc1)CC1CCC(F)(F)CC1 459303662 XSHTVNUZOHKPRJ-UHFFFAOYSA-N 278.346 3.816 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H](O)CC1 378718133 DDHIHJPGQHKDEO-HNNXBMFYSA-N 269.429 3.501 30 20 CHED COCc1csc(CNc2cccc(F)c2C#N)c1 695566923 NLULMYWONYJRAK-UHFFFAOYSA-N 276.336 3.517 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(OC)c(COC)c1 384823596 CPUKYSOEPSNPTP-ZDUSSCGKSA-N 277.408 3.704 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 804832603 SILASTAMGHKJOD-UHFFFAOYSA-N 291.394 3.508 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(CC#N)cc1 399008327 VTZSYTWQWLSSTI-PBHICJAKSA-N 256.393 3.763 30 20 CHED Fc1cc(Cl)ccc1C=NNCc1ccccc1 783510074 ULBBXFCIGNBLAJ-UHFFFAOYSA-N 262.715 3.603 30 20 CHED C=CCn1c(SCc2cccc(C)c2)nnc1C1CC1 4345296 BVAVGAZRDNWILI-UHFFFAOYSA-N 285.416 3.942 30 20 CHED Cc1cn2c(/C=C3\Cc4ccccc4C3=O)c(C)nc2s1 12541275 OLWANMDTQWZCRF-MDWZMJQESA-N 294.379 3.835 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2ccc(C)c(F)c2)c1 17701224 FBGFQGBWXHBHKW-YBFXNURJSA-N 287.334 3.858 30 20 CHED N#Cc1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 18079553 VARGRMUFYDLKAS-UHFFFAOYSA-N 287.322 3.601 30 20 CHED N#Cc1ccc(C(=O)N2CCCCc3ccccc32)cc1 47975739 COLJFGGZBIINCA-UHFFFAOYSA-N 276.339 3.541 30 20 CHED CN(Cc1cccc(C(F)(F)F)c1)c1ncccc1C#N 52445088 LKHMPAJJVXTDOC-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=CCOc1cccc(NC(=O)c2cccc(N(C)C)c2)c1 55714369 WDPKKOIDEFVIGD-UHFFFAOYSA-N 296.370 3.570 30 20 CHED Cc1cc([C@H](C)NC(=O)/C=C/c2ccccc2C#N)c(C)o1 67076995 JQFSDEGYCNMPGS-XEHSLEBBSA-N 294.354 3.659 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1C(F)(F)F 72499306 ZZECFELHOUPBRI-JTQLQIEISA-N 294.276 3.872 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C#N)o1 80339494 KBRRIUUURYORTA-APPDUMDISA-N 284.334 3.704 30 20 CHED CC(=O)c1ccc(NC(=O)c2ccc(CC#N)cc2)cc1C 89918154 NCMLRKUVRLJEBY-UHFFFAOYSA-N 292.338 3.516 30 20 CHED COc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 90339738 PUXZUOUMTHLLAY-ZIAGYGMSSA-N 280.371 3.979 30 20 CHED C#CCCCCN[C@H](C)[C@@H](C)c1ccc(OC)cc1 90397962 MNEQLQNOGDNWMF-HUUCEWRRSA-N 259.393 3.580 30 20 CHED C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C 92090710 BZFHYGBFBAESKQ-UWVGGRQHSA-N 268.282 3.669 30 20 CHED CC(C)[C@@H](CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 103078494 STTSDCKDRWICCP-AEFFLSMTSA-N 286.419 3.871 30 20 CHED CCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 104416604 ILKWFWJGMBKHCA-UHFFFAOYSA-N 266.300 3.699 30 20 CHED C[C@@H]1Cc2ccccc2N(Cc2ccc(C#N)cc2)C1 109586530 MYGHOYOJDOGHIB-CQSZACIVSA-N 262.356 3.757 30 20 CHED C=CC1CCN(C(=O)NCc2ccc(F)c(Cl)c2)CC1 111486260 IKMJAUSBLOPIPT-UHFFFAOYSA-N 296.773 3.587 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2c(C)c(C)ccc2[nH]1 116725391 XGICJTYMGKVOOD-UHFFFAOYSA-N 270.376 3.823 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)CCCc2ccccc2)C1 116811698 FIEFVMMQTADPCI-YJBOKZPZSA-N 284.403 3.598 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(N2CCCC2)cc1C 116998197 VDSBWVXNGPXZPB-AWEZNQCLSA-N 287.407 3.681 30 20 CHED CC1(C)Cc2cccc(/C=C/C(=O)c3ccco3)c2O1 118951629 BFCLWQWWVRTYMY-CMDGGOBGSA-N 268.312 3.889 30 20 CHED Cc1cc2cc(C(=O)O[C@@H](C#N)C(C)C)oc2cc1C 123766287 UGUKRIRWZSUICN-HNNXBMFYSA-N 271.316 3.755 30 20 CHED C=CCn1c(SC[C@H](C)CC)nnc1-c1ccccn1 124845816 UUHCUSXBPBRAJL-GFCCVEGCSA-N 288.420 3.664 30 20 CHED C=C(C)COc1cccc(NCc2ccc(C#N)o2)c1 129253182 YYESHEKUNNEGMR-UHFFFAOYSA-N 268.316 3.718 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)Oc1ccc(C#N)cc1 129341849 BSCNMTRFYPKFCU-KBPBESRZSA-N 283.352 3.637 30 20 CHED Cc1ccc2oc(C(=O)O[C@H](C)C(C)(C)C#N)cc2c1 130802897 GXMDAHNKQAGUBP-LLVKDONJSA-N 271.316 3.836 30 20 CHED Cc1ccccc1-c1nc(CNc2ccc(C#N)cc2)no1 132723890 SXVOXOLMMHAFOL-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 132788749 RWOXSDPIAWQHKO-KBMXLJTQSA-N 285.391 3.519 30 20 CHED C=C(C)CN(CC)C(=O)CCc1c[nH]c2c(C)cccc12 133080327 FTSHGLXCYXVCKE-UHFFFAOYSA-N 284.403 3.834 30 20 CHED CCCCOCCCNc1c(C#N)cnc2ccccc12 135051307 XRUUWAVKONWBEH-UHFFFAOYSA-N 283.375 3.725 30 20 CHED C[C@H](CC(=O)Nc1ccc(C#N)c(C#N)c1)c1ccccc1 150789391 XEVPHQWZXHVDLJ-CYBMUJFWSA-N 289.338 3.562 30 20 CHED CCN(C(=O)[C@H]1CCC[C@H](C)C1)c1ccc(C#N)cc1 152263364 KFMINZCEMFQWFU-ZFWWWQNUSA-N 270.376 3.737 30 20 CHED N#CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 153600610 WYXWJGRUIFMXBE-AWEZNQCLSA-N 290.775 3.521 30 20 CHED Cc1ccc(CNCc2cccc(C#N)c2)c(OC(C)C)c1 153670770 IPNDIDDXLPCNLY-UHFFFAOYSA-N 294.398 3.944 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)Cc2ccon2)c1 157879723 ABTRMUZMZDPMCP-UHFFFAOYSA-N 288.350 3.863 30 20 CHED CCO[C@H](C)c1nccn1Cc1ccccc1C(C)(C)C#N 161445076 RVLKRCGBFAQLSX-CQSZACIVSA-N 297.402 3.830 30 20 CHED CC(C)(C#N)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 161645388 XPFVOYDWBCKMIW-LBPRGKRZSA-N 289.448 3.503 30 20 CHED C=C(C)COCCN[C@H]1CCCC[C@@H]1c1ccccc1 163516357 RBELZJPGJUJTTC-MSOLQXFVSA-N 273.420 3.895 30 20 CHED CCC(CC)CN(CCC#N)C[C@H](O)c1ccccc1F 173553449 FEHFOVYNFHQMEY-KRWDZBQOSA-N 292.398 3.511 30 20 CHED CCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 174104131 NBSXZZDOCASXCF-AAEUAGOBSA-N 299.399 3.818 30 20 CHED CC(C)(C)[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(F)cc1 177538566 KGPDSVKDKZURCO-OAHLLOKOSA-N 299.349 3.543 30 20 CHED Cc1c(C#N)cccc1NC(=O)Cc1ccccc1Cl 178394926 GNFMRRCROFCNMK-UHFFFAOYSA-N 284.746 3.701 30 20 CHED CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)s2)C1 180243638 QDVYSAAOOROQFF-NEPJUHHUSA-N 280.462 3.726 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1nc(C2CC2)cs1 180959839 IKDIDMXIWXAZGQ-LLVKDONJSA-N 293.436 3.565 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1C1CCC1 181417240 YODKAWZBKPXXGN-DZGCQCFKSA-N 264.413 3.705 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)C1 181423628 NIQYMHFWKFDWOD-RDJZCZTQSA-N 286.419 3.930 30 20 CHED CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1O 183326566 SLAAHHAMJIGWPO-QGZVFWFLSA-N 296.370 3.535 30 20 CHED CC[C@H](CC#N)NC(=O)/C=C(\C)c1cccc(Cl)c1 183791928 JMTGXXQDMJLGAS-CFRMROPGSA-N 276.767 3.552 30 20 CHED N#CCc1ccc(NC2CCN(c3ccccc3)CC2)cc1 184746781 VOXWCPYNQHMIEX-UHFFFAOYSA-N 291.398 3.834 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(OC(F)F)cc1 189836240 QKSBPVWRUZHENN-INIZCTEOSA-N 297.345 3.849 30 20 CHED C=CC[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 192999883 ZDZKXZNRJGUREI-XHDPSFHLSA-N 260.337 3.526 30 20 CHED COc1cc(CN(C)Cc2cccc(C#N)c2)ccc1C 193687522 MKJZMCFAIIPMLS-UHFFFAOYSA-N 280.371 3.507 30 20 CHED N#Cc1ccccc1C(=O)/C=C/c1cc(F)cc(F)c1 194589539 VYVXKAHSRXZLFO-AATRIKPKSA-N 269.250 3.733 30 20 CHED CC1=CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 230812092 KPLXTYFNYMZMRN-UHFFFAOYSA-N 266.266 3.733 30 20 CHED COc1cc(CNc2ccc(F)c(C)c2)ccc1C#N 234904679 NTRMBNMGQGKVNC-UHFFFAOYSA-N 270.307 3.627 30 20 CHED N#Cc1ccnc(Oc2cc(F)cc(F)c2)c1Cl 236150847 RJCPUFHAMGMDMI-UHFFFAOYSA-N 266.634 3.677 30 20 CHED N#Cc1cc(CN2CCC[C@H]3CCCC[C@H]32)ccc1F 236264281 XLFLWWGPJWKZSO-RHSMWYFYSA-N 272.367 3.852 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 247536721 XZYVHQCHSCVIHM-JKIFEVAISA-N 299.418 3.524 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc(C#N)s1 255668354 TVOARRNWDXXPBW-XQRVVYSFSA-N 285.372 3.536 30 20 CHED CC(C)(CCC#N)CNCCc1c[nH]c2cc(F)ccc12 266180631 FZKLVBRMHPDSFL-UHFFFAOYSA-N 287.382 3.769 30 20 CHED C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)OCC 270047998 BONZNYYQRGUDHH-UWWQBHOKSA-N 287.403 3.577 30 20 CHED C=CCN(C(=O)c1cc(SC)ccc1Cl)C1CC1 271409412 OCEIXLHGWANEIA-UHFFFAOYSA-N 281.808 3.853 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1ccc(F)cc1 274309831 WYGJMVYNVICSQC-INIZCTEOSA-N 273.351 3.683 30 20 CHED C=C(C)[C@@H](NC1CCN(CC)CC1)c1ccc(F)c(F)c1 274756939 JEGUBVKNPWKOOY-QGZVFWFLSA-N 294.389 3.656 30 20 CHED C=C(C)CCN(C)C1CCN(Cc2ccccc2)CC1 274806337 SUZPJCMLCZCUTH-UHFFFAOYSA-N 272.436 3.549 30 20 CHED C=CCC[C@@H](NC[C@](C)(O)c1cccs1)c1ccco1 276391730 BUAFUIXCWUQIPY-CJNGLKHVSA-N 291.416 3.846 30 20 CHED CC#CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 277542142 VKUAXZRQVNKNAK-VIFPVBQESA-N 270.159 3.536 30 20 CHED COc1cc(CNc2ccc(N(C)C)cc2C)ccc1C#N 281456000 ANYGYPNJWAREQV-UHFFFAOYSA-N 295.386 3.553 30 20 CHED Cc1cccc(CCCN[C@@H](C)c2ccc(C#N)c(F)c2)n1 287692482 WSZJMIJUYZTNGU-AWEZNQCLSA-N 297.377 3.684 30 20 CHED C=C[C@H](CC(=O)Nc1nc(C2CC2)c[nH]1)c1ccccc1 289500588 ZBSXIMAATJCPOY-GFCCVEGCSA-N 281.359 3.586 30 20 CHED Cc1ccc(CCC(=O)N2CCCC(C)(C)[C@@H]2C#N)s1 290320552 BPFOOQPHYZMDSG-AWEZNQCLSA-N 290.432 3.530 30 20 CHED CC(C)Sc1ccccc1C(=O)N[C@@H](C#N)C(C)(C)C 291375352 DNYGDHSTMFWPCW-AWEZNQCLSA-N 290.432 3.855 30 20 CHED Cc1ncsc1/C=C/C(=O)c1csc(C(C)C)n1 291718040 ZKLKTCYWKKMMPC-SNAWJCMRSA-N 278.402 3.928 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(F)c(F)c1 292254421 PMPIUOGPWGPWJE-UHFFFAOYSA-N 267.319 3.526 30 20 CHED C=CCC[C@H](NC(=O)c1nc(C)oc1C)c1ccccc1 293696743 MDBLVJNMHRBYCA-HNNXBMFYSA-N 284.359 3.729 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2ccncc2)c(C)c1 293716704 MGXBKATVQUVISI-GOSISDBHSA-N 293.370 3.935 30 20 CHED C=CC(C)(C)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 294394552 COTFFTLYQHYPDD-UHFFFAOYSA-N 298.386 3.521 30 20 CHED Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(F)c1 294469936 QBWNXGPENJSCMY-INIZCTEOSA-N 272.323 3.547 30 20 CHED C=CCCc1noc(C(F)(F)c2ccc(C)cc2)n1 297250612 JGPHYBFXPHWMHO-UHFFFAOYSA-N 264.275 3.637 30 20 CHED Cc1cc(NC(=O)NCCCCC#N)c2ccccc2c1 297395453 MCJULXYPIUSGKU-UHFFFAOYSA-N 281.359 3.964 30 20 CHED CCc1ccc(CN(c2ncccc2C#N)C2CC2)cc1 301269320 NFDYAJBKDNETPB-UHFFFAOYSA-N 277.371 3.685 30 20 CHED C[C@H](C#N)CNc1cc(C(C)(C)C)nc(C(C)(C)C)n1 301776432 RALWZXJLSKMMJI-LLVKDONJSA-N 274.412 3.643 30 20 CHED CN(Cc1ccsc1)c1ccc2cc(C#N)ccc2n1 301821642 MIXKOXYIWIIWCL-UHFFFAOYSA-N 279.368 3.804 30 20 CHED C[C@](O)(CNc1ccc(C#N)cc1)c1cccc(Cl)c1 302192093 ZLYPLZOEXQMKKA-INIZCTEOSA-N 286.762 3.531 30 20 CHED N#Cc1cc(N2CCC3(CCC3)C2)ccc1C(F)(F)F 302195691 OOMOFANFSKBHLD-UHFFFAOYSA-N 280.293 3.957 30 20 CHED C[C@H](Nc1c(C#N)cccc1C#N)c1ccc(F)cc1F 302787934 XDQLIKYSLDHSKY-JTQLQIEISA-N 283.281 3.881 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)c(F)c2)ccc1Cl 308124776 UOLJKUWHCJSKBG-UHFFFAOYSA-N 288.709 3.912 30 20 CHED CSCCCSc1nc(Cl)c(C#N)s1 319419403 DPNLDJUOVBVAKB-UHFFFAOYSA-N 264.828 3.513 30 20 CHED Cc1n[nH]c(C)c1N=C(O)[C@H]1CCSc2ccccc21 329540210 CWEHDXVUWYCVIA-LBPRGKRZSA-N 287.388 3.894 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2nccc3sccc23)CCC1=O 329612892 OPNIETSYSSOOHI-UWVGGRQHSA-N 288.372 3.890 30 20 CHED Cc1cnc([C@H](/N=C(/O)C2CCC(=O)CC2)C2CC2)s1 329898326 MCNSPYYDUZBTLN-CYBMUJFWSA-N 292.404 3.618 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)[C@H]2CCCN2c2ccccc2)o1 330241487 WFZVLJMIEVXXLS-DZGCQCFKSA-N 299.374 3.670 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1ccc(F)c(F)c1F 330480632 OCOXADMEMRTUOD-AWEZNQCLSA-N 284.281 3.737 30 20 CHED Cc1cccc(C(C)C)c1N/C(O)=N/C[C@@]1(C)CCOC1 330755025 FSDSCZOLFRPALT-QGZVFWFLSA-N 290.407 3.871 30 20 CHED COc1cc(C)cc(N/C(O)=N/C[C@@H]2CCCS2)c1C 331176036 VRKXCECEPHVETL-LBPRGKRZSA-N 294.420 3.534 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2 332628648 SMGRGNQENKHELI-WFASDCNBSA-N 297.402 3.597 30 20 CHED CC(C)(C)c1csc(NC(=O)C2CC(F)(F)C2)c1C#N 334812303 SOVDQYZAZKJEEM-UHFFFAOYSA-N 298.358 3.901 30 20 CHED CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@H]1c1cccnc1 335172848 DEUJONRWDIKJHI-KRWDZBQOSA-N 295.361 3.675 30 20 CHED CCN(C(=O)c1ncccc1C)c1ccc(C#N)c(Cl)c1 335899617 NTHJECALPYPNIG-UHFFFAOYSA-N 299.761 3.582 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1c(F)cc(Cl)cc1F 336163152 JSSORHVBLBFHSZ-UHFFFAOYSA-N 296.660 3.644 30 20 CHED N#Cc1ccc(CN[C@H]2CCc3sc(Cl)cc32)o1 336430540 WGPZELUGWXUWJA-NSHDSACASA-N 278.764 3.643 30 20 CHED CC1=C(C(=O)N[C@@H](C#N)c2ccccc2Cl)CCC1 336555890 MJRWWBCHPVLFTA-AWEZNQCLSA-N 274.751 3.521 30 20 CHED N#Cc1ccc(CNCC2CCC(F)(F)CC2)c(F)c1 337234027 AICRSXSZCYBUKB-UHFFFAOYSA-N 282.309 3.612 30 20 CHED C=CCCC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 338658876 KHNBDSUHROHYOK-AAEUAGOBSA-N 283.293 3.644 30 20 CHED Cc1ccc([C@@H]2CCCN2[C@@H]2CC[C@@H](C#N)C2)s1 338999958 LNNRAGJZMUOSMC-MCIONIFRSA-N 260.406 3.886 30 20 CHED CC(C)CSCCCNc1ccc([N+](=O)[O-])cc1C#N 339357832 DKFHCTNWVUIITG-UHFFFAOYSA-N 293.392 3.658 30 20 CHED C=CCCCN1CCC[C@H]1Cn1c(C)nc2ccccc21 339657241 BVIUJSHYYWSJJZ-INIZCTEOSA-N 283.419 3.775 30 20 CHED Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C)c(C#N)c1C 340722820 YSUPDMWBRFSILQ-CABZTGNLSA-N 274.389 3.777 30 20 CHED C=CCCOCCCCC(=O)Nc1cccc(C)c1 342627733 WYTXZYIKSZMXPD-UHFFFAOYSA-N 261.365 3.697 30 20 CHED CC(C)C[C@@H](C)OCCC(=O)N(CCC#N)CC(C)(C)C 343020534 QJQPOWDFRVXSAN-OAHLLOKOSA-N 296.455 3.616 30 20 CHED N#CC1(CN(Cc2ccccc2)CC2CCC2)CC1 343146962 HWKIVRYHXWCUJJ-UHFFFAOYSA-N 254.377 3.592 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](CC)c1nc(C)cs1 343440601 CSCGLFJZSBHWPS-ZDUSSCGKSA-N 278.421 3.787 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1 346930999 JAJDHYCDEHVCNX-UHFFFAOYSA-N 299.761 3.896 30 20 CHED N#CC1(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 349156998 FOGCPNDZWKUBJG-UHFFFAOYSA-N 290.779 3.521 30 20 CHED C=CCCCCNC(=O)c1cc2ccc(OC)cc2nc1C 351584613 XYCWDZRXPFTWJK-UHFFFAOYSA-N 298.386 3.638 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(OCC(F)F)c1 351821674 TUPLDDPYVAQFOI-HNNXBMFYSA-N 296.317 3.517 30 20 CHED N#Cc1cccc(CSc2ncc3ccccn23)c1F 353221084 QRIQIOCZNKVGGG-UHFFFAOYSA-N 283.331 3.637 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cccc(N(C)C)c1 355537784 VJAWBQBCCTUOLM-UHFFFAOYSA-N 294.398 3.581 30 20 CHED C[C@H](c1noc(-c2ccc(C#N)s2)n1)c1cccs1 357022126 SLKZTYQTOOXBLS-QMMMGPOBSA-N 287.369 3.883 30 20 CHED CC(=O)Nc1ccc(NCC#Cc2ccccc2)c(Cl)c1 359034308 YSARVSPRYSRNHU-UHFFFAOYSA-N 298.773 3.762 30 20 CHED C=CCOCCCSCc1ccn(-c2ccccc2)n1 359134230 QBWCBRZRHCQXFK-UHFFFAOYSA-N 288.416 3.698 30 20 CHED Cc1nn([C@@H](C)CCSc2ccccc2)cc1C#N 359427889 QALHWHNHCDJBPA-LBPRGKRZSA-N 271.389 3.807 30 20 CHED C=CCn1c(SCC/C=C\CC)nnc1C1CC1 362242386 GFKVXGBQEBKBFW-WAYWQWQTSA-N 263.410 3.790 30 20 CHED CC(C)(C)CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 369752638 JBPXFUVHVBYBSW-HOTGVXAUSA-N 299.418 3.514 30 20 CHED C=C[C@H](CC(=O)N1CCC2(CC1)CC2)c1ccccc1 371368798 GQVUPFNZSAZEBU-OAHLLOKOSA-N 269.388 3.749 30 20 CHED CSC1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 377617081 RLNMPHHZQQUTQS-HZPDHXFCSA-N 286.444 3.654 30 20 CHED C=C(C)CCN[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 379657604 TZZRMCMIMCANCQ-FUHWJXTLSA-N 272.436 3.595 30 20 CHED N#CC[C@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 397603786 MPAMPLUFBBBYPZ-OAHLLOKOSA-N 292.382 3.535 30 20 CHED C[C@H]1CCCCC[C@H]1NCc1ccc(C#N)c(F)c1 404136217 XIUIKERSTGPRSF-BLLLJJGKSA-N 260.356 3.756 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc3c(c2)CCCCC3)C1 404675393 FELUTKQEORCBSF-UHFFFAOYSA-N 282.387 3.834 30 20 CHED CCN(C(=O)CC(C)(C)C1CC1)c1ccc(C#N)cc1 410521596 CZFZNUNCZDMDRG-UHFFFAOYSA-N 270.376 3.737 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1sc(C(C)(C)C)nc1C 410826216 HSSLUVWPASNNKM-LLVKDONJSA-N 293.436 3.513 30 20 CHED C=CCCCC(=O)Nc1cccc(OC(F)(F)F)c1C#N 411109802 GUPJRAJYNMJZSH-UHFFFAOYSA-N 298.264 3.752 30 20 CHED Cc1occc1[S@](=O)CCC1(C#N)CCCCC1 414241933 MFKZZMWGXOCMLS-GOSISDBHSA-N 265.378 3.560 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 416282228 BWQYUPSUYKIGOC-LSDHHAIUSA-N 288.391 3.747 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)NCC2(C#N)CCC2)cc1 416344810 DNCKJIKZOVBQGJ-HNNXBMFYSA-N 298.430 3.799 30 20 CHED CCCC(CCC)C(=O)N1CCc2c(C#N)cccc21 421659898 YYULKWQZJDPHTL-UHFFFAOYSA-N 270.376 3.664 30 20 CHED C=CCC[C@@H](CCC)N[C@@H](C)c1ncc(C(=O)OC)s1 424327898 NEOGNFODLMTGHE-NWDGAFQWSA-N 296.436 3.715 30 20 CHED C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C2CC2)c(C)c1 424506706 HFAVWIXQLIXZRY-SJORKVTESA-N 285.387 3.792 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1ccc(CC)cc1 424672169 AWWYTRKGURGPIH-UHFFFAOYSA-N 259.393 3.510 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 425650103 KQKBVDNEOSTQFP-YJNKXOJESA-N 291.439 3.583 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 426007250 JARSCLWSWBVELI-CAOSSQGBSA-N 276.424 3.705 30 20 CHED C[C@@H]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)C1 429594439 XQBLSLMNWUXGBQ-ABAIWWIYSA-N 262.784 3.832 30 20 CHED Cc1cc(OCc2nc3ccc(F)cc3o2)ccc1C#N 434649794 DDUWJGALCBULCJ-UHFFFAOYSA-N 282.274 3.726 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 435367476 WRVDPGRLZNOCTR-KEYYUXOJSA-N 296.414 3.531 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@@H](C(C)C)C1 435729585 DNECFVOGWXYZCJ-NCOADZHNSA-N 265.441 3.772 30 20 CHED CCOC(=O)[C@@H](CC)SCc1ccc(C#N)cc1Cl 438902397 RONWQPZVGHDUFY-CYBMUJFWSA-N 297.807 3.787 30 20 CHED CC(C)(CN[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 442860243 KWGPBHXYYCKUAO-JKSUJKDBSA-N 256.393 3.537 30 20 CHED CC(C)[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 442884214 GRFLCZMCHKLMAX-PBHICJAKSA-N 256.393 3.987 30 20 CHED Cc1cc(CNCCc2ccccc2Cl)ccc1C#N 443979762 BNXYOEXZJSFKQN-UHFFFAOYSA-N 284.790 3.852 30 20 CHED CC(C)CCN(CCC#N)CCCCC(C)(C)C#N 444651065 UNQSXZZHLDPRQK-UHFFFAOYSA-N 263.429 3.968 30 20 CHED COc1ccc(CC(C)(C)Nc2nccc(C)c2C#N)cc1 445610766 RYRGZUYTBUWIGW-UHFFFAOYSA-N 295.386 3.704 30 20 CHED CC(=O)Nc1ccc(C)cc1OCc1ccc(C#N)c(C)c1 447300271 WYQTUIDKKKWYLE-UHFFFAOYSA-N 294.354 3.713 30 20 CHED CC(C)CN(C(=O)C[C@@H]1CC[C@@H]2C[C@H]12)c1ccc(C#N)cc1 448820855 FTXMOGYCEGPQBH-RYRKJORJSA-N 296.414 3.983 30 20 CHED C=C(C)CCNCc1ccc(OCC)c(OCC)c1 449478276 RBUSTPVWRGHCCR-UHFFFAOYSA-N 263.381 3.540 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)[C@@H](C)c1ccc(OC)cc1 449548003 KMPURUIVGCOTKX-NONVJHHQSA-N 289.419 3.510 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 450499544 KLTDDRDQWVAKOL-LLVKDONJSA-N 299.336 3.965 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nc3cc(F)c(F)cc3[nH]2)C1 450783874 FSBLWCVCYMEJPZ-HTQZYQBOSA-N 279.315 3.625 30 20 CHED C=CC(C)(C)CNC(=O)C(C)(C)c1ccc(C)cc1 452772323 DTNRHEVIUCRUHU-UHFFFAOYSA-N 259.393 3.601 30 20 CHED CC(C)c1ccc(-c2noc([C@]3(C#N)C[C@H]3C)n2)cc1 453089877 OVMINGARIDGVOH-BZNIZROVSA-N 267.332 3.661 30 20 CHED Cc1ccc(F)c(Cc2noc(C3(C#N)CCCCC3)n2)c1 453277584 DOLNHJUIFMQJCG-UHFFFAOYSA-N 299.349 3.833 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccnn1[C@@H](C)CC(C)C 455142750 MAAKTOSMPPDUHX-ZDUSSCGKSA-N 292.427 3.824 30 20 CHED C=C(C)CCNC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 455311908 ONVWJFXYRVUOMF-ZBFHGGJFSA-N 272.392 3.540 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)CCc2ccco2)c1 456013527 WNWMXSFNTNUZNM-ZDUSSCGKSA-N 297.358 3.603 30 20 CHED C=CCC1(NC(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 456381316 LMJQSEWCKJVDHP-UHFFFAOYSA-N 294.376 3.665 30 20 CHED Cc1cccc([C@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)c1 457075254 JDBBOANZRXBWDZ-CABCVRRESA-N 292.382 3.848 30 20 CHED C=CC(C)(C)CNC(=O)N1CC(c2cccc(Cl)c2)C1 458991000 SGQLVSATBGZHFX-UHFFFAOYSA-N 292.810 3.661 30 20 CHED Cc1nc(N2Cc3ccccc3C[C@@H]2C)c(Cl)cc1C#N 461935952 LTDFDXLEUBEXQC-NSHDSACASA-N 297.789 3.866 30 20 CHED C=CC1CCN(C(=O)[C@@]2(C)CCc3ccccc3C2)CC1 463835682 JWHCPFOEQOMEIA-IBGZPJMESA-N 283.415 3.606 30 20 CHED C[C@H](C(=O)N1CCC[C@@H]1C(C)(C)C)c1cccc(C#N)c1 463946631 QUVXGOQBNAZZRI-XJKSGUPXSA-N 284.403 3.699 30 20 CHED CC(C)(C)c1ccccc1C(=O)N[C@H](C#N)C(C)(C)C 464709132 GZVMNZVDEJYJQI-CQSZACIVSA-N 272.392 3.652 30 20 CHED C=C[C@@H](C)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 465102284 KKEQHKKSQBPMDU-WDEREUQCSA-N 285.309 3.890 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1COc1ccccc1 465119466 IRAFLVAOKXKLSR-AWEZNQCLSA-N 281.355 3.570 30 20 CHED C=CCCN(C)C(=O)COc1ccc(C(C)C)c(C)c1 466634563 MCPMXNCBSMLYBX-UHFFFAOYSA-N 275.392 3.532 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cc(F)cc(F)c1OC 466648972 QLUXHUSTAZJOMZ-SECBINFHSA-N 269.291 3.514 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl 466777649 PMDBBQPWSQRYNB-GXFFZTMASA-N 296.773 3.553 30 20 CHED C=C[C@](C)(CC)C(=O)NCCC1Cc2ccccc2C1 467994325 MIHPHYWNARXYKI-GOSISDBHSA-N 271.404 3.510 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(OC)c1 470646203 VHSBEBOCOKYRKN-UHFFFAOYSA-N 295.382 3.914 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCC2(CCCCC2)CC1 470781550 YGGFIXCIPRALKX-MRXNPFEDSA-N 293.451 3.931 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1ccon1 472150240 CLSXVLNIRJTBOM-CQSZACIVSA-N 299.374 3.524 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CCCc3ccc(F)cc32)C1 475511325 UISDPBRLRHYIIJ-YLQAJVPDSA-N 272.367 3.875 30 20 CHED C=CC[C@H](C)NC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F 484025735 DPLHZKYDAOLYRL-QJPTWQEYSA-N 292.345 3.619 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1c1ccc(C#N)c(C)n1 488121649 XTWMEIFNPSJMAG-WFASDCNBSA-N 257.381 3.667 30 20 CHED Cc1cccc(CN(C)c2nccc(C)c2C#N)c1C 488440186 PTVLBZPJPHGEOJ-UHFFFAOYSA-N 265.360 3.515 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 488572569 JKKDOTUKLBXBLV-LBPRGKRZSA-N 288.778 3.819 30 20 CHED CC(C)CCn1ncc(NC(=O)C(C)(C)C#N)c1C(C)C 490179921 FKVQUGGGQMCJCC-UHFFFAOYSA-N 290.411 3.541 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cccc(-c2ncco2)c1C 491679503 FSGSQKNUHXXWBB-ZDUSSCGKSA-N 297.358 3.573 30 20 CHED Cc1ccc(C#N)c(N2CC[C@@H](c3ccccc3)[C@H](C)C2)n1 500290290 QPYIKDPMYUGDMH-RDTXWAMCSA-N 291.398 3.892 30 20 CHED CC[C@H]1C[C@@]1(NCCCCC#N)c1cccc(C)c1 502488156 WSUZNCZFFNQKPO-RDJZCZTQSA-N 256.393 3.904 30 20 CHED CC(C)(C#N)CCN[C@H]1CCC[C@H]1OCc1ccccc1 503525548 HDRGJKWAGLKMDF-DLBZAZTESA-N 286.419 3.654 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 508478071 PNGRLDAPMDDWRQ-CQSZACIVSA-N 290.455 3.535 30 20 CHED N#Cc1ccc(OCCOc2cccc(F)c2)c(Cl)c1 511095773 PCCFXAXKXMNJTE-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C[C@H]1CCCC[C@H]1CCNCc1ccc(C#N)cc1 512230598 UMGVHPJBQMVQLE-YOEHRIQHSA-N 256.393 3.864 30 20 CHED C=CCN(CCc1ccco1)Cc1cccc(O)c1Cl 512253951 SBUFHKVMMHMLIS-UHFFFAOYSA-N 291.778 3.869 30 20 CHED C[C@@H]1CC(NC(=O)c2cc(C#N)ccc2Cl)C[C@@H](C)C1 513297000 SVQYWJDVOLDMAO-QWRGUYRKSA-N 290.794 3.766 30 20 CHED C=CCc1ccccc1OCC(=O)Nc1cccc(CC)c1 514594840 KIUYDJSIMDRMBG-UHFFFAOYSA-N 295.382 3.995 30 20 CHED N#Cc1ccc(/C=C\c2nc(Cc3ccccc3)no2)cc1 521892319 COFJTDUZRWHCOV-KHPPLWFESA-N 287.322 3.702 30 20 CHED C=CCCC1(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)CC1 527234753 KEFCLNMPYVNWLX-TZMCWYRMSA-N 273.376 3.766 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2cc(F)c(Cl)cc21 527905333 NKVAQXUFSNYQMW-OAGGEKHMSA-N 295.785 3.790 30 20 CHED C=CCn1cc(CN[C@@H](C)c2ccc([C@@H](C)CC)cc2)nn1 527908618 GEALSHFTDBIOCZ-GJZGRUSLSA-N 298.434 3.828 30 20 CHED C=C[C@@H](CC(=O)N(CC)C1CCC1)c1ccccc1 535396996 WBCFNOMAEZFPDW-AWEZNQCLSA-N 257.377 3.747 30 20 CHED N#Cc1ccncc1N1CCC[C@H](c2ccc(F)cc2)CC1 537571146 ACYWDGDQAKGWTF-AWEZNQCLSA-N 295.361 3.866 30 20 CHED CC[C@H](c1ccccc1)[C@H]1CCCN1CC1(C#N)CC1 538349826 OWMPNOIIGIRVHS-IAGOWNOFSA-N 268.404 3.948 30 20 CHED CC(C)[C@H](CNc1cnccc1C#N)c1ccccc1 538743245 NSEDXEUSXKGCSO-INIZCTEOSA-N 265.360 3.805 30 20 CHED Cc1cc(C)c(C#N)c(NCCCc2cccs2)n1 538788873 IMOMTPJHDOAQFH-UHFFFAOYSA-N 271.389 3.676 30 20 CHED C=CCSCCNC(=O)CCc1ccc2ccccc2c1 540959897 XPADUFDXJZMAMN-UHFFFAOYSA-N 299.439 3.808 30 20 CHED C[C@@H](NC(=O)N1CC[C@@H](C(C)(C)C)C1)c1ccc(C#N)cc1 541345784 YGMVJHOGDLOBEM-CZUORRHYSA-N 299.418 3.697 30 20 CHED N#Cc1ccc(CN(CCOc2ccccc2)C2CC2)cc1 541394335 VCFFTLNVOWFEDZ-UHFFFAOYSA-N 292.382 3.602 30 20 CHED C=C(C)[C@H](Cc1nc(-c2cc(F)ccc2C)no1)OCC 545703724 SWNJXZPOADTCGD-AWEZNQCLSA-N 290.338 3.708 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 547287451 WXSFEYBLGUPBRE-QLFBSQMISA-N 292.810 3.850 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](CC)C1 549265890 MKOMZVCCKOLNDJ-AWEZNQCLSA-N 276.428 3.604 30 20 CHED C[C@@H](CCc1ccc(C(F)(F)F)cc1)NC[C@@H](C)C#N 549378229 NZLMAQYCGVSNML-RYUDHWBXSA-N 284.325 3.776 30 20 CHED CC(C)Oc1ccccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 549536217 PJLZHLSPQPFJOZ-SOUVJXGZSA-N 272.392 3.817 30 20 CHED C=C(C)[C@H](CC(=O)Nc1nc(C(C)(C)C)cs1)OCC 550105237 RDSAZUVMQKBOJW-NSHDSACASA-N 296.436 3.750 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(C1CC1)C1(C#N)CCC1 556453482 YZRCLRZROFRKJX-ZIAGYGMSSA-N 274.408 3.640 30 20 CHED C=CC[C@@H](C(=O)N[C@H]1CCC1(C)C)c1ccccc1 558025639 XCZUHAFIQWPODW-CABCVRRESA-N 257.377 3.651 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2CCCCC23CCCC3)n1 563100034 ZTEWVRZGSVUAPA-CQSZACIVSA-N 298.390 3.578 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(C(C)=O)c1 571580220 VUSJRHHHVPJIOG-OAHLLOKOSA-N 286.375 3.770 30 20 CHED C=CCC[C@H](N[C@H]1CCC[C@H](N)C1)c1ccccc1 573235144 MAYBCYNEWZTZDA-ULQDDVLXSA-N 258.409 3.553 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2Cl)C1 574683369 IFDBQSCYQULGFW-DTWKUNHWSA-N 298.173 3.807 30 20 CHED CCCN(CC#N)C(=O)C[C@@H](C)CCC=C(C)C 574812542 VWMMOOGZGGDUMF-AWEZNQCLSA-N 250.386 3.521 30 20 CHED CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(F)c1 575791811 OPLPZEZDPPIICN-HNNXBMFYSA-N 289.354 3.740 30 20 CHED Cc1cc(F)c(CN2CCC(CC#N)CC2)c(Cl)c1 582346201 LXXPGNJOPAHGRJ-UHFFFAOYSA-N 280.774 3.913 30 20 CHED COc1cc(OCc2ccc(F)cc2C)ccc1C#N 583731177 GKSUBOOCLUQTNJ-UHFFFAOYSA-N 271.291 3.593 30 20 CHED N#CCCCCCC(=O)N1CCC(CC(F)(F)F)CC1 588166757 POZKFUBLMWWXJY-UHFFFAOYSA-N 290.329 3.651 30 20 CHED CSc1cc(O)ccc1NC(=O)CCCCCC#N 588721156 OPZPWCRWGWGNBS-UHFFFAOYSA-N 278.377 3.527 30 20 CHED Cc1ccc(-c2ncc[nH]2)cc1NC(=O)CCCCCC#N 588727186 GZBUGJCLIOYTQK-UHFFFAOYSA-N 296.374 3.798 30 20 CHED CC[C@@H]1CCCC[C@H]1c1noc(-c2ncc(C#N)cc2C)n1 590285323 LDSWWAJMTDDAMM-ZIAGYGMSSA-N 296.374 3.996 30 20 CHED Cc1csc(NC(=O)[C@H]2CC3CCC2CC3)c1C#N 590993041 NQDXDSMDWDCDLK-MCIGGMRASA-N 274.389 3.693 30 20 CHED N#Cc1ccc(-c2ccc(C[C@H](O)C3CC3)cc2)s1 592988169 HBLFLHUDYNTXLI-HNNXBMFYSA-N 269.369 3.600 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)[C@@H](C)CSc1ccccc1 593219772 YAMMENUDRHLTLY-BBRMVZONSA-N 290.432 3.565 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCC(C)(C)C1CC1 594039253 PVUKKVBUWJBYRL-CQSZACIVSA-N 298.430 3.679 30 20 CHED CC(C)CCOC1CCN([C@H](C#N)c2ccccc2)CC1 595299103 UZUDDXYSACPPNH-GOSISDBHSA-N 286.419 3.778 30 20 CHED CC(C)(C#N)CCCN1CCC([C@@H]2CCCCO2)CC1 595790504 WGTHZNXWRIBNBI-INIZCTEOSA-N 278.440 3.597 30 20 CHED N#CC1(CC(=O)NCc2cc3ccccc3o2)CCCCC1 596813982 SWKUOTATAHCOSH-UHFFFAOYSA-N 296.370 3.913 30 20 CHED N#CC1(CC(=O)NC2CCC(F)(F)CC2)CCCCC1 597454682 FMJYHSKPRXRFKH-UHFFFAOYSA-N 284.350 3.545 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1)c1ccc2nc(O)oc2c1 600853193 YLZMDNBXAIQQMK-SNVBAGLBSA-N 279.299 3.578 30 20 CHED N#Cc1cc(Cl)ccc1S[C@@H]1CC[C@@H](C#N)C1 601912130 JDJQAHQQMQSSAJ-BXKDBHETSA-N 262.765 3.996 30 20 CHED N#Cc1cc(Cl)ccc1S[C@H]1CC[C@@H](C#N)C1 601912144 JDJQAHQQMQSSAJ-SKDRFNHKSA-N 262.765 3.996 30 20 CHED C[C@@H](Cc1ccc(F)cc1Cl)NCC(C)(C)C#N 602607523 MFHLLYJUSKRCGP-JTQLQIEISA-N 268.763 3.549 30 20 CHED C[C@H](CCC#N)CN1CCC2(CCSCC2)CC1 602734282 FNUGJBWVSDFARQ-CQSZACIVSA-N 266.454 3.535 30 20 CHED N#CC[C@H]1CCCN(c2nc3ccc(F)cc3s2)C1 603405177 NHXCJULEURLBAA-SNVBAGLBSA-N 275.352 3.565 30 20 CHED C=CCCCN1CCCN(CC2CCCCC2)CC1 605150066 KOXHSYGLUJXJML-UHFFFAOYSA-N 264.457 3.541 30 20 CHED Cc1ccc2cc(C(=O)Nc3ccc(F)c(C#N)c3)[nH]c2c1 609109134 FIYLOPFORJUZCG-UHFFFAOYSA-N 293.301 3.739 30 20 CHED C=CCCCS[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 609804774 HPENSNGEWKELES-GJZGRUSLSA-N 291.460 3.994 30 20 CHED C=CCCCSCc1cc([N+](=O)[O-])ccc1OC 609804940 ZAOONVHRIPPNEX-UHFFFAOYSA-N 267.350 3.803 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 609974628 UQPUKWBDJYNAIS-YOEHRIQHSA-N 284.403 3.528 30 20 CHED COc1ccc(COCCSc2cccc(C#N)c2)cc1 610722526 MPCPTSRMXJANKE-UHFFFAOYSA-N 299.395 3.876 30 20 CHED C[C@]1(C#N)CCCN(c2nccc3ccc(F)cc23)C1 612107466 RDSSDJAOUAWMSN-MRXNPFEDSA-N 269.323 3.504 30 20 CHED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H]1CCCCO1 613429000 DROPRWJRRIOBQA-GXTWGEPZSA-N 287.407 3.620 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 618730292 CJUOLYUGOIDIBL-XGIHMFCUSA-N 296.414 3.734 30 20 CHED C[C@@H](Cc1ccccc1C(F)(F)F)NCC(C)(C)C#N 619509213 FPRXQTRPZKKMMB-NSHDSACASA-N 284.325 3.776 30 20 CHED C[C@H](CCc1ccco1)NCc1ccc(C#N)c(Cl)c1 619754713 ITAMMQVRIAWWQL-GFCCVEGCSA-N 288.778 3.916 30 20 CHED C=CCCC(C)(C)NC(=O)[C@H](C)c1cccc(C)c1 620859028 VIQPSTDEPDOBPY-CQSZACIVSA-N 259.393 3.960 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2cccnc2s1 620864459 FALSKCVEMIJCHL-UHFFFAOYSA-N 274.389 3.771 30 20 CHED C=CCN(C(=O)c1ccc(C2CC2)nc1C)C(C)(C)C 622945914 XWZXLTATLQZCMA-UHFFFAOYSA-N 272.392 3.694 30 20 CHED C=CCCC[C@@H](C)N[C@@H]1CCCc2scnc21 623928425 PJDJAOGOFSFUPT-VXGBXAGGSA-N 250.411 3.855 30 20 CHED C=CCCCCN1CCC(C(=O)c2ccc(O)cc2)CC1 649359696 ACMXSRNJFFIPNR-UHFFFAOYSA-N 287.403 3.643 30 20 CHED C=CCCC(C)(C)NCc1cccc2c1OCCCO2 657805390 NWUXUXWLKSINJE-UHFFFAOYSA-N 275.392 3.682 30 20 CHED C=C(CNC(=O)c1ccc(C(=O)CC)cc1)c1ccccc1 673342653 XRTXJBRKMNJBBF-UHFFFAOYSA-N 293.366 3.723 30 20 CHED C=CCOc1ccc(-c2nc(C3CCC3)no2)cc1OC 680691856 OXRLTXQEKJZASF-UHFFFAOYSA-N 286.331 3.578 30 20 CHED C#Cc1cccc(N(C(=O)CCC(C)(F)F)C(C)C)c1 728247246 WDVXCURJHLXWPO-UHFFFAOYSA-N 279.330 3.845 30 20 CHED CCOc1ccc(C=NNCCCc2ccccc2)cc1 729145723 BIJZNVFQCIUOLY-UHFFFAOYSA-N 282.387 3.642 30 20 CHED Cc1cccc2c1C/C(=C\c1cccc(O)c1)C2=O 729150254 JHYMQJGDAPMAFQ-MDWZMJQESA-N 250.297 3.523 30 20 CHED Cc1ccc2c(c1)[C@H](/N=C\c1cccc(O)c1O)CC2 730147867 VNTJFXXHNCZTRN-YQYFLZKSSA-N 267.328 3.513 30 20 CHED C#CCOc1cccc(NC(=O)/C=C\C2CCCCC2)c1 735440792 OFYGIMDRZGBCSZ-QXMHVHEDSA-N 283.371 3.774 30 20 CHED C=CCCCOC(=O)CCC(=O)c1cc(C)sc1C 735523298 HVSGBJBANVIWMW-UHFFFAOYSA-N 280.389 3.837 30 20 CHED Cc1cc(C)nc(NN=C(CC2CC2)c2ccccc2)n1 735969974 RDSWRLVLFRNBMU-UHFFFAOYSA-N 280.375 3.710 30 20 CHED C#CCOc1ccc(NC(=O)NCCCC(C)(C)C)cc1 740453590 KCBQDYIAZXWHRY-UHFFFAOYSA-N 288.391 3.646 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc(SC)cc1)C(C)C 740647699 PLWHJHSPGNPSNU-ZDUSSCGKSA-N 293.432 3.599 30 20 CHED CCC(=NNC(=S)Nc1ccc(C)cc1C)C1CC1 741161360 RBPDKCSNCUDEAM-UHFFFAOYSA-N 275.421 3.766 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=CC1CCCC1 741839329 DSKBZUCCRXEAJQ-UHFFFAOYSA-N 267.716 3.836 30 20 CHED C#CCOc1ccc(NC(=O)/C=C(\C)C(C)(C)C)cc1 742649564 OWJKFSRPLIZMCV-OUKQBFOZSA-N 271.360 3.630 30 20 CHED CCCCCCCCOCC(=O)N1CCC(C)(C)C1 742875413 FLHBVYPUSRYLMY-UHFFFAOYSA-N 269.429 3.622 30 20 CHED CC(=NN=C1CCC[C@H]1Cc1ccccc1)c1cnccn1 745202259 UEZWNAAEJDFRDA-INIZCTEOSA-N 292.386 3.684 30 20 CHED CCc1oc2ccccc2c1C=NN=C(C)c1cnccn1 745208030 AEWQJNBROKXRKK-UHFFFAOYSA-N 292.342 3.628 30 20 CHED C=CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 746047903 SSHXEWXMTVIIFP-CXAGYDPISA-N 297.358 3.958 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)c(C)c1)C2 747439448 ARNLKGZZIHGHAB-ZSOIEALJSA-N 282.314 3.965 30 20 CHED Cc1ccc([C@@H](C)C(=O)O[C@H](C)c2ccc(C#N)cc2)o1 748680525 FFCRVVVLWIGXMK-CHWSQXEVSA-N 283.327 3.868 30 20 CHED N#CCCCCOC(=O)c1ccc(Oc2ccccc2)o1 748913109 QYPUNWZWIDQXRS-UHFFFAOYSA-N 285.299 3.923 30 20 CHED COc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1C 749745949 IOBBCDAGRCDVIJ-PXNMLYILSA-N 284.286 3.759 30 20 CHED C=CCC(CC=C)C(=O)OCc1cnc(OC)c(Cl)c1 751748662 UBTAFNNFQDZVCC-UHFFFAOYSA-N 295.766 3.555 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@H](C(C)(C)C)C2)c1 752466785 IFFFVRZSQZDWJI-AWEZNQCLSA-N 270.376 3.568 30 20 CHED CCN(C(=O)/C=C1\CC[C@@H](C)C1)c1ccc(C#N)cc1 753178294 PJIOMMNHFGRWGK-WDGDVPDHSA-N 268.360 3.658 30 20 CHED C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccncc1 754920616 UCORHOFFOBXEIV-JTQLQIEISA-N 286.718 3.525 30 20 CHED CC(=NNc1c(C)cc(C)cc1C)C1CCOCC1 755891412 FMDKHPVBVLUCKJ-UHFFFAOYSA-N 260.381 3.826 30 20 CHED O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccccc1O 757475250 QTJFBUKXSLYHFN-AATRIKPKSA-N 278.229 3.706 30 20 CHED CCCC(=NNc1ncc(F)cn1)c1ccc(Cl)cc1 760264582 CWLOMEXOKNUVFW-UHFFFAOYSA-N 292.745 3.885 30 20 CHED CCCCCCCCCN1C(=O)[C@H](C)N(C2CC2)C1=O 760950853 MVBZZZJYLKFMNU-ZDUSSCGKSA-N 280.412 3.552 30 20 CHED N#CC1(OC(=O)c2ccc(-c3ccccc3)cc2)CCC1 762105561 JIXFTQIXELOLHO-UHFFFAOYSA-N 277.323 3.957 30 20 CHED O=C1/C(=C/c2cnc3ccccn23)Cc2ccc(Cl)cc21 762447374 PODINQIZWIAPOD-XYOKQWHBSA-N 294.741 3.810 30 20 CHED CCCC(C#N)(CCC)NC(=O)/C=C1\CC[C@@H](C)C1 762620515 SESWXGSWZONXNW-MBFWDRTGSA-N 262.397 3.712 30 20 CHED C#CCN(C(=O)N[C@@H](CC(C)(C)C)c1ccccc1)C1CC1 764676043 DSQXXDPRBQBTFQ-KRWDZBQOSA-N 298.430 3.971 30 20 CHED COc1ccc(CNc2snc(Cl)c2C#N)c(C)c1 765548062 IRYRUWBEFIFERZ-UHFFFAOYSA-N 293.779 3.597 30 20 CHED C/C=C(/C=C\C(=O)N[C@H](C)c1cccc(C#N)c1)CC 765731912 SUGKKBOGDTYXGJ-PGUIRVSFSA-N 268.360 3.648 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ncnc2ccsc12 766024946 FELXRUAMSGUIMK-SECBINFHSA-N 274.393 3.915 30 20 CHED Cn1cc(C(=O)/C=C/c2cncs2)c2ccccc21 767730103 VJXJVEHXNSULFT-VOTSOKGWSA-N 268.341 3.531 30 20 CHED C#C[C@@H](CC)OC(=O)c1sc(-c2ccc(C)o2)nc1C 768064006 VPTDGWMJDILSSG-NSHDSACASA-N 289.356 3.589 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1c[nH]c2ccccc12 768376550 XPSQRYVIIXVJCV-UHFFFAOYSA-N 298.386 3.974 30 20 CHED CCN(CC)c1ccc(CN(CC#N)C2CCCC2)cc1 769466943 PYVBQNZTPLSUQJ-UHFFFAOYSA-N 285.435 3.801 30 20 CHED C=C(Br)CN1Cc2ccccc2[C@@H](C)C1 771463021 NLDYZTJXFQQHFE-JTQLQIEISA-N 266.182 3.514 30 20 CHED C=CC[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccncc1 772063064 BIXMEEXNZNAUDV-YOEHRIQHSA-N 280.371 3.619 30 20 CHED CC(C)Oc1ccc(NC(=O)C2(F)CCCC2)cc1C#N 772186273 VKSUUKZWBBWDBD-UHFFFAOYSA-N 290.338 3.566 30 20 CHED C=CCN(C(=O)NCCCCCCCC)C1CC1 772526327 MFTFORICEIHXLW-UHFFFAOYSA-N 252.402 3.707 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCSC2)cc1 773029139 CUNZWLQKNYNYGF-GXTWGEPZSA-N 297.851 3.974 30 20 CHED C#CC[C@H](N[C@H](CCCC)COC)c1ccccc1 773114313 IBZXMMABOFXWKE-SJORKVTESA-N 259.393 3.546 30 20 CHED C#C[C@@H](C)NC(=O)N(CCCC)[C@@H](C)c1ccccc1 773598426 UWRMIKQWWRSPBG-CABCVRRESA-N 272.392 3.581 30 20 CHED C#CCCCN[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 774443312 OXXQKODVCKFZRC-VIFPVBQESA-N 271.191 3.640 30 20 CHED N#C[C@H](OC(=O)c1cnc(C2CC2)s1)C1CCCCC1 776386411 JWRKDZKIHUFZKD-LBPRGKRZSA-N 290.388 3.650 30 20 CHED C=CCC[C@@H](C(=O)OCc1ccccn1)c1ccccc1 777402458 JKKLRIZZRXBVII-QGZVFWFLSA-N 281.355 3.875 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1cc(C#N)cn1C(C)(C)C 779853462 FYECHIXMWLDCRZ-QXMHVHEDSA-N 273.380 3.800 30 20 CHED CCc1ncc(CNc2ccccc2O[C@H](C)C#N)s1 779988855 LCWZTAHVJRUCBO-LLVKDONJSA-N 287.388 3.608 30 20 CHED C#CCCCCCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 780024051 OTBOXQFSVRQJJM-HNNXBMFYSA-N 288.778 3.605 30 20 CHED C#CCCCNc1ccc(OC(C)C)cc1Cl 780308807 LWFZKGGOTVIBAJ-UHFFFAOYSA-N 251.757 3.953 30 20 CHED C#CCCN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 780392197 KSDUCSBHFGYMHT-NSHDSACASA-N 295.226 3.922 30 20 CHED Cc1cc(C)c(C=NN2Cc3ccccc3C2=O)c(C)c1 781597866 PJIICTHYHIOHGF-UHFFFAOYSA-N 278.355 3.602 30 20 CHED C[C@H](OC(=O)c1c[nH]c2ccccc12)c1ccc(C#N)cc1 782621726 XNZDPOPWWNIVSK-LBPRGKRZSA-N 290.322 3.958 30 20 CHED CC[C@H]1CCC[C@H](C=Nn2c(S)nnc2C(C)(C)C)C1 783800106 NWBDTVGOLYKORZ-RYUDHWBXSA-N 294.468 3.915 30 20 CHED Cc1ccnc(N2CCC[C@H]2c2ccc(F)c(F)c2)c1C#N 784159008 IAMDWWRPBLBCGA-INIZCTEOSA-N 299.324 3.881 30 20 CHED C=CCCN(C)Cc1c(C)nn(CCCC)c1Cl 786579300 RJQBPCXZGJHXRX-UHFFFAOYSA-N 269.820 3.653 30 20 CHED C/C(C=NNCc1ccccc1)=C\c1cccc([N+](=O)[O-])c1 787163463 RIRCGXGKZFPSAO-RKNTYAHGSA-N 295.342 3.774 30 20 CHED C#Cc1ccc(C(=O)OC/C=C\c2ccc(Cl)cc2)cn1 787695058 OGVHCDGBBDSFIB-ARJAWSKDSA-N 297.741 3.587 30 20 CHED CC(=NN=c1cc[nH]cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 788437661 CHAXDXJPVQKBOI-NWDGAFQWSA-N 291.807 3.810 30 20 CHED CC1(C)CCC1=NNc1ncnc2c1oc1ccccc12 788981197 RCSBSQDCZNOPRR-UHFFFAOYSA-N 280.331 3.964 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(C)cc1 789077228 RIDFBIIFOUAAJH-UHFFFAOYSA-N 291.354 3.673 30 20 CHED C=CCCOC(=O)Cc1cccc(Cl)c1Cl 789249026 NKODWUZYKHFLMT-UHFFFAOYSA-N 259.132 3.655 30 20 CHED C=C(Br)CN1CCC=C(c2ccccc2)C1 792941469 TXSDHKKKVYQLPU-UHFFFAOYSA-N 278.193 3.684 30 20 CHED Fc1ccc(/C=C\C=NNc2cccc(Cl)n2)cc1 793163806 NACLFZCDQIQNAW-JZDBILBQSA-N 275.714 3.985 30 20 CHED FC(F)(F)CCNN=Cc1ccc(C(F)(F)F)cc1 794553259 OEVICHYHWZVZIY-UHFFFAOYSA-N 284.203 3.581 30 20 CHED N#Cc1ccc(F)c(COC(=O)/C=C\c2cccs2)c1 794653062 ORCBVLRIOJKCOH-XQRVVYSFSA-N 287.315 3.515 30 20 CHED Fc1cccnc1NN=CCCCCOc1ccccc1 794994757 ZVSUNARPFYWFGI-UHFFFAOYSA-N 287.338 3.868 30 20 CHED C=CCNN=Cc1sc2ccccc2c1Cl 794998382 JYONQNAYJJPUEX-UHFFFAOYSA-N 250.754 3.664 30 20 CHED COCCCON=Cc1ccc(-c2ccccc2Cl)o1 795055248 INVBQJZARYQTJQ-UHFFFAOYSA-N 293.750 3.987 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1ccnc2cc(OC)ccc12 797836910 HIGWMUMKDMFXCM-FZKQIMNGSA-N 298.386 3.637 30 20 CHED C#C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C)C(C)C 799042846 RNTMTXIABQHTHY-AWEZNQCLSA-N 298.411 3.506 30 20 CHED COc1cccc2c1CCCC2=NOCCC(F)(F)F 799485895 XSCATNRBFLARPE-UHFFFAOYSA-N 287.281 3.705 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cnc3ccccn23)c(O)c1 799896542 WGBQPDPEEHNLGW-VOTSOKGWSA-N 292.338 3.553 30 20 CHED C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1O 800989419 CKSSGHIPURWNQC-LLVKDONJSA-N 286.762 3.768 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1ccc(Cl)cc1F 804415196 DOVCNFMNTXSLFC-IINYFYTJSA-N 295.785 3.952 30 20 CHED C=CCCCCCCNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C 805217762 JQWZTUWELBTVTI-CABCVRRESA-N 293.451 3.881 30 20 CHED C=CCCCCCCNC(=O)c1nnc(C(C)(C)C)s1 805220613 XTVSYIFWACUTRN-UHFFFAOYSA-N 295.452 3.702 30 20 CHED C=CCCCCCCCCNC(=O)c1ccncc1 805277561 DKTHMJILQRFDQL-UHFFFAOYSA-N 260.381 3.728 30 20 CHED CC(C)c1ccc2occ(C(=O)OC[C@H](C)C#N)c2c1 805898733 AHPQPFGDNRQUPC-LLVKDONJSA-N 271.316 3.873 30 20 CHED C#Cc1ccc(CNc2ccccc2OCC(F)F)cc1 809597816 ZOSNKVLUOFGKJK-UHFFFAOYSA-N 287.309 3.924 30 20 CHED C#C[C@@H](NCc1cnc(-c2ccccc2)s1)C(C)C 809685750 OVPMDMGMSVRKEV-OAHLLOKOSA-N 270.401 3.558 30 20 CHED CCCCCCCCN1CC[C@H](n2cc(C)cn2)C1 810121574 ZEMGFCWAWARQOI-INIZCTEOSA-N 263.429 3.799 30 20 CHED c1ccc(C[C@H]2CCCC2=NNC[C@@H]2CCSC2)cc1 811659667 VZKKQSDFPWPNJC-JKSUJKDBSA-N 288.460 3.728 30 20 CHED Cn1cc(/C=C\C(=O)c2ccc(Cl)cc2)c(C(F)F)n1 812239824 FVEFUMYHACAQPB-DAXSKMNVSA-N 296.704 3.907 30 20 CHED N#C[C@@H](C(=O)CCCC1CC1)c1nc2ccccc2o1 813061654 OOIKOVTXUFAJPZ-LBPRGKRZSA-N 268.316 3.584 30 20 CHED C=C(CNC(=O)/C=C/C(=C\C)CC)c1ccccc1 813622158 FZLNEPLTJNBQMX-KZCNLBFYSA-N 255.361 3.729 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2nc(C)sc2c1 814722025 GURVKYLHENOUNT-UHFFFAOYSA-N 282.315 3.755 30 20 CHED CC(=NNCc1ccccc1Cl)c1cc(N)ccc1F 814812524 ALMBLCJIZGODOJ-UHFFFAOYSA-N 291.757 3.575 30 20 CHED CC(C)CON=C1CC(c2cc(F)cc(F)c2)C1 814883886 GDGIAKCBYJLHKW-UHFFFAOYSA-N 253.292 3.871 30 20 CHED C#CCCCOC(=O)c1cc(Cl)c(F)cc1Cl 815504175 MZLBPFCPBJZNKD-UHFFFAOYSA-N 275.106 3.703 30 20 CHED Cc1cc(F)c(C=NN[C@H](C)C(C)(C)C)c(F)c1 819813153 KXAOOROSIGVVNR-SNVBAGLBSA-N 254.324 3.631 30 20 CHED CC(C)c1ccc(C=NOCC(=O)Nc2ccccc2)cc1 823454878 MWUBKORMRJHZSX-UHFFFAOYSA-N 296.370 3.799 30 20 CHED C=C[C@H](CC)CC(=O)N1CCOc2ccccc2[C@@H]1C 826763980 TXGZASCSDWVBFT-UONOGXRCSA-N 273.376 3.571 30 20 CHED C#C[C@H](NC(=O)Nc1ncsc1C(C)C)c1ccccc1 831817976 GZVCQYWLXAZUFH-ZDUSSCGKSA-N 299.399 3.763 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(Br)cc1O 834882363 OGXDGGUEHJKHHZ-JTQLQIEISA-N 284.197 3.772 30 20 CHED C=C(C)[C@H]1CC=C(COC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)CC1 835199856 YBCSCPHEIYRSBF-YLFCFFPRSA-N 290.403 3.790 30 20 CHED C=CCC(C)(C)COC(=O)[C@@H]1CC12CCSCC2 835463720 WOJPJMSSUVDDPF-LBPRGKRZSA-N 268.422 3.665 30 20 CHED C#CCCCCC(=O)OC[C@H]1CCCCC1(F)F 835641777 KKSUAJWHUVIEBZ-GFCCVEGCSA-N 258.308 3.549 30 20 CHED CC#CCCCC(=O)OCC1CCC(F)(F)CC1 837641635 XXUDFXLJIWSAKP-UHFFFAOYSA-N 258.308 3.549 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(F)c(Cl)cc2F)C1 839052441 GPQXDPJCQOUFTE-IUCAKERBSA-N 299.704 3.857 30 20 CHED CCCC(CCC)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839057682 UIFWIMWZAJXLNN-OCCSQVGLSA-N 251.370 3.828 30 20 CHED C[C@@H](CCCc1cccnc1)/N=C/c1ccccc1O 840709827 GJVKCHZYDJUNER-ITRAFESCSA-N 268.360 3.618 30 20 CHED C=CCCCCOC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F 845317323 UVNSFUHSYWSOEU-NWDGAFQWSA-N 294.313 3.634 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1ccc(CC(=O)O)cc1 848416063 XOTOVWZXWVZRNE-AWEZNQCLSA-N 274.364 3.538 30 20 CHED C=CCC1(NCc2cc(Cl)cs2)CCOCC1 850367588 AKKCSZOMYIDODN-UHFFFAOYSA-N 271.813 3.616 30 20 CHED CC(C)n1ccnc1C=NNc1ccccc1C(F)(F)F 853258646 XTPVETFASREFSL-UHFFFAOYSA-N 296.296 3.929 30 20 CHED C#C[C@](C)(CC)NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 854701991 IMMUSIVCWHMTEU-FZKQIMNGSA-N 282.387 3.580 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 855545020 IGCONLKEIXQWAN-AWEZNQCLSA-N 295.329 3.596 30 20 CHED CSc1ccc(/C=C/C(=O)O[C@@H](C)C(C)(C)C#N)s1 860623507 LZBIRHRBOTVDET-STUBTGCMSA-N 295.429 3.965 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 860870430 PLBOTIXGLPMRKL-DVZHBHJUSA-N 263.381 3.684 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)c2cnc(C)s2)c(O)c1 864347093 KCIDBUADEQYNMY-SYEOYNTFSA-N 290.388 3.736 30 20 CHED Cc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(F)c1F 870428749 MAEWTYILPNFZOT-QWRGUYRKSA-N 279.286 3.512 30 20 CHED C=C[C@@](C)(CCOC)C(=O)OCc1cccc2ncccc12 873380416 MTZSIKBJYWYVKP-SFHVURJKSA-N 299.370 3.507 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1(C)CC(F)(F)C1 875206260 WXSAXEQYKGRZCB-UHFFFAOYSA-N 297.320 3.776 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCCOc2ccccc21 878585424 FVCMNBLZDZFFDR-CQSZACIVSA-N 273.376 3.619 30 20 CHED CCN(CCCCC(C)(C)C#N)[C@@H](CO)c1ccccc1 880460965 BJLQXQKNQAAKQN-KRWDZBQOSA-N 288.435 3.762 30 20 CHED C=C/C=C\CCNC(=O)N(CCC)Cc1ccc(C#N)cc1 883825727 SEBPOULBBOVKMB-WAYWQWQTSA-N 297.402 3.612 30 20 CHED C=CC(C)(C)CC(=O)OCc1ccn(C2CCCC2)n1 884649583 IODXTDHGBWIVQL-UHFFFAOYSA-N 276.380 3.644 30 20 CHED Cc1nsc(N(C)C(=O)CCCCC(C)(C)C)c1C#N 891425014 DNDJFRKPHPPQPK-UHFFFAOYSA-N 293.436 3.893 30 20 CHED N#Cc1ccccc1Oc1cc(C2CC2)nc(C2CC2)n1 891436039 LSAJZQBGDOHWCQ-UHFFFAOYSA-N 277.327 3.895 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H]2c2cccc(F)c2)CC1 896736709 YEJQPSSWWWDQAR-MRXNPFEDSA-N 273.351 3.846 30 20 CHED CCc1nnc(SCCCCC2(C#N)CCC2)o1 901594363 XPILLXUHAABUDT-UHFFFAOYSA-N 265.382 3.588 30 20 CHED C=C(C)C[C@H](NC1CCC(c2ccccc2)CC1)C(=O)O 901680353 WQVWGUDDAJWQIG-JCYILVPMSA-N 287.403 3.722 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2cccc(Cl)c2F)no1 904679032 XJIOYBJBZGXEOS-LLVKDONJSA-N 295.745 3.885 30 20 CHED Oc1nc2ccccc2cc1/C=N\Cc1ccccc1F 912776661 RRZHVZITONAQAN-ODLFYWEKSA-N 280.302 3.699 30 20 CHED CCCCCCCC(=O)N(CCOC)C1CCCC1 914517635 WMTJUQLUGDDLED-UHFFFAOYSA-N 269.429 3.765 30 20 CHED CCCCCCCCC(=O)NCCc1nc(C)cs1 914608254 PVCIFXZDXRHKOI-UHFFFAOYSA-N 282.453 3.861 30 20 CHED CC(C)Cc1ccc(C(=O)OCCCCC#N)cc1 914622752 OFKQOZUJCKIFDH-UHFFFAOYSA-N 259.349 3.736 30 20 CHED C=CCN(C(=O)Nc1nnc(C(CC)CC)s1)C(C)C 916706604 AVIYRLXHSBQHML-UHFFFAOYSA-N 296.440 3.870 30 20 CHED C=CCc1cc(OCC)ccc1OC(=O)c1c[nH]cc1C 916859018 MPNPUEQBFHFDQH-UHFFFAOYSA-N 285.343 3.670 30 20 CHED Cc1ccc(C)c(C(=O)/C=C/c2cccc3c2OCCO3)c1 917517369 OUZGQMLOHZHNEK-CMDGGOBGSA-N 294.350 3.971 30 20 CHED CCCCCCCCCN(C)Cc1ccn(C)c(=O)c1 918741663 KRTIPFUQPYQEEB-UHFFFAOYSA-N 278.440 3.568 30 20 CHED COc1ccc(C=NNc2cccc(F)c2)cc1C 920386114 QIQSOXIEOTVSJP-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CC(=NNc1cccc(F)c1)c1cccc(C#N)c1 920386218 UKHHNEUFIOCZOF-UHFFFAOYSA-N 253.280 3.533 30 20 CHED CCn1nc(C)c(C(=O)/C=C\c2ccc(F)c(F)c2)c1C 920927656 GLGAXUYFZWSRFA-VURMDHGXSA-N 290.313 3.694 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1cccc(F)c1F 925666355 RVQPHBNQICAIRP-WDEREUQCSA-N 266.335 3.944 30 20 CHED C=C(C)[C@@H](N[C@@H](C)c1nonc1C)c1ccc(F)c(F)c1 926208080 YXDIBCQLIZUJHC-LKFCYVNXSA-N 293.317 3.624 30 20 CHED CC[C@H](N[C@H](c1cnn(C)c1)C(C)C)c1cccc(C#N)c1 927066414 MZPSZSDZRBFMCO-ROUUACIJSA-N 296.418 3.730 30 20 CHED CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@@H](C#N)C2)cc1 928222719 VEYAPIKEXIVSHS-IVZVJUQRSA-N 296.414 3.975 30 20 CHED C=C(CNC(=O)[C@@H](C)OC1CCCCC1)c1ccccc1 1117528095 KBOORAOOIVLBTL-OAHLLOKOSA-N 287.403 3.554 30 20 CHED C=C(C)CONC(=O)Nc1c(C)cc(Cl)cc1C 1118228355 NQGOMBBCRUCWNC-UHFFFAOYSA-N 268.744 3.586 30 20 CHED C=C(C)CCC(=O)Nc1ccn([C@H](C)c2ccccc2)n1 1120706504 CBUQHJYAFCYEHI-CQSZACIVSA-N 283.375 3.787 30 20 CHED N#CC[C@H](C(=O)Nc1cccc2cc[nH]c12)c1ccccc1 1128250152 NGHQLHVPJGGMNK-HNNXBMFYSA-N 289.338 3.804 30 20 CHED C[C@H]1CN(CCc2ccc(C#N)cc2)[C@H]1c1ccccc1 1167576078 KILCLEXWENAGDR-HNAYVOBHSA-N 276.383 3.794 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]2CCC2CCCC2)n1 1179924885 LBMHLBMEOPPUHR-GOSISDBHSA-N 283.419 3.888 30 20 CHED Cc1c(C#N)cccc1NCc1ccc2[nH]ccc2c1 1202619338 SQBIIVOVHZYGMS-UHFFFAOYSA-N 261.328 3.960 30 20 CHED Cc1cc(CN2CCCC[C@H]2C(C)C)ccc1C#N 1204349544 WLWMYUGWBRKJQC-KRWDZBQOSA-N 256.393 3.877 30 20 CHED CC[C@H](C(=O)O[C@H](CC#N)c1ccco1)c1ccccc1 1263660312 BRXOCNMPQAATJU-GOEBONIOSA-N 283.327 3.971 30 20 CHED COc1ccc(CC[C@@H](C)Nc2cc(C)c(C#N)cn2)cc1 1306946127 JHCGYGAQHRHFJH-CQSZACIVSA-N 295.386 3.704 30 20 CHED CCc1nc2ccccc2n1N=Cc1ccc(F)c(OC)c1 1320163029 CWGXTTHWSLQEGC-UHFFFAOYSA-N 297.333 3.629 30 20 CHED C=C[C@H](COC)N[C@H](C)c1cccc(C(F)(F)F)c1 1321242612 YAOLZEBRUCMVCO-ZWNOBZJWSA-N 273.298 3.557 30 20 CHED COC(=O)c1cccc(/C=C2\C(=O)c3ccccc3[C@@H]2C)c1 1323541620 VZONMGKGSNOALX-UEMWTREESA-N 292.334 3.857 30 20 CHED Cc1ccc(CN(C(=O)CC#Cc2ccccc2)C2CC2)o1 1323870932 XQYQTTXOAODJAG-UHFFFAOYSA-N 293.366 3.521 30 20 CHED C=CC[C@@H]1CCCN([C@H](C(=O)O)c2ccccc2Cl)C1 1327038469 JRNGYEMGSUFLEF-DOMZBBRYSA-N 293.794 3.754 30 20 CHED N#Cc1ccc(OCc2nnc(C(F)=C3CCCC3)o2)cc1 1327267133 GSYBIHKDKMWGAM-UHFFFAOYSA-N 299.305 3.775 30 20 CHED CCc1ccc(-c2n[nH]c(S[C@H]3CC[C@@H](C#N)C3)n2)cc1 1328002279 UVBPWYAYOSBWCK-OCCSQVGLSA-N 298.415 3.818 30 20 CHED C=C(C)CCC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 1335790620 LDUAAXVHQQPXLZ-OAHLLOKOSA-N 279.330 3.985 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(Cl)nc(Cl)c1 1337557455 BCDASCDGVROXKZ-NSHDSACASA-N 299.201 3.959 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2C[C@H]2c2ccncc2)CCCC1(C)C 1338877209 BQFUBIMRENHBHS-GVDBMIGSSA-N 298.430 3.778 30 20 CHED Cc1cccc2cc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)oc12 1342665421 YVJCGGXLNYCMJP-DGCLKSJQSA-N 269.300 3.590 30 20 CHED CCCC[C@@H](CC)CC(=O)[C@@H](C#N)c1nccn1CC 1347339567 YNCMJNSXGDACGW-ZIAGYGMSSA-N 275.396 3.686 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)OC1CCCCC1 1348751378 XASLOHSYWZSNIB-STQMWFEESA-N 281.396 3.596 30 20 CHED CC1(C#N)CCN(C(=O)CCCCc2ccccc2)CC1 1350366110 ICNHZFRZMUJMQZ-UHFFFAOYSA-N 284.403 3.552 30 20 CHED CC(C)c1cccc(C(=O)N(C)c2cccc(C#N)c2)c1 1357381812 VLYMXUWWSUOBNG-UHFFFAOYSA-N 278.355 3.958 30 20 CHED CS[C@H](C(=O)N(C)c1ccc(C#N)cc1)c1ccccc1 1435249115 UPJYVULRPAAWSA-INIZCTEOSA-N 296.395 3.625 30 20 CHED COc1ccc2c(c1)[C@H](Nc1nccc(C)c1C#N)CCC2 1458287186 QQXVRJZMGYJTCG-QGZVFWFLSA-N 293.370 3.760 30 20 CHED C[C@H](Sc1cccnc1C#N)c1ccccc1F 1473031279 QIKCLJIZSGHPRQ-JTQLQIEISA-N 258.321 3.946 30 20 CHED N#Cc1cccc(C(=O)CSc2cccc(F)c2C#N)c1 1473037788 KMSXIGNCFNYMOO-UHFFFAOYSA-N 296.326 3.544 30 20 CHED CC(C)[C@@H]1N(Cc2cccc(F)c2C#N)CC1(C)C 1474551269 WZFGGYPKIDMWRR-HNNXBMFYSA-N 260.356 3.564 30 20 CHED Cc1c(C#N)cccc1C(=O)O[C@@H](c1ccccn1)C(C)C 1515144577 FTRXFRHWCPFXJG-QGZVFWFLSA-N 294.354 3.816 30 20 CHED C=C(C)CCC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 1516739798 MEMBJSXJBSBBQY-HZPDHXFCSA-N 291.366 3.518 30 20 CHED CCc1ccc(F)cc1C(=O)OCc1ccc(CC#N)cc1 1520148808 ULNLMUXJYXICQO-UHFFFAOYSA-N 297.329 3.811 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1OC 1520193422 KNYBCOPLHKBHPP-CYBMUJFWSA-N 292.354 3.797 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CCC[C@H](CC)C1 1520422332 KMXITOCVPWBZEC-STQMWFEESA-N 294.468 3.515 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1F)c1ccccc1C 1524508565 IHJPLSFYAXUSRP-UHFFFAOYSA-N 282.318 3.673 30 20 CHED C[C@@H]1[C@@H](OC(=O)c2ccc(CC#N)cc2)CCC[C@H]1C 1527767174 IFJUQVLHRCCZSN-WWGRRREGSA-N 271.360 3.734 30 20 CHED Cc1ccc2oc(CNC(=O)c3ccsc3C#N)cc2c1 1528972036 XDVHEYQFVREWKA-UHFFFAOYSA-N 296.351 3.604 30 20 CHED C[C@@H](C(=O)Nc1cc(C#N)ccc1F)c1cccs1 1535455198 HDITUCPGCOXMGM-SECBINFHSA-N 274.320 3.501 30 20 CHED COc1ccc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)cc1C#N 1536118673 ZUGMCBXDLJUVBX-VXGBXAGGSA-N 286.375 3.578 30 20 CHED CCC[C@H]1CCCC[C@H]1CNC(=O)NCC(C)(C)CC#N 1564903074 YGUDODYPEOFFOR-GJZGRUSLSA-N 293.455 3.832 30 20 CHED Cc1cc(NC(=O)CC2CCCCCC2)ncc1C#N 1586236852 KKLIEGHSXBYGOM-UHFFFAOYSA-N 271.364 3.561 30 20 CHED C=CC[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)O 1588758982 MXVIUTLXGBAVAQ-MRVPVSSYSA-N 271.407 3.562 30 20 CHED N#Cc1c[nH]ccc1=N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1612487671 JEEMIVOFFFMADR-CZUORRHYSA-N 297.789 3.777 30 20 CHED Cc1cccc(-c2cccc(C(=O)N=C3C[C@H](C)ON3)c2)c1 1637839904 AQNGVRWGQQWUSX-ZDUSSCGKSA-N 294.354 3.514 30 20 CHED CC1(C)CCC[C@H]1CNc1c(C#N)cccc1C#N 1642719684 HTNZWYHIEWUXTR-AWEZNQCLSA-N 253.349 3.668 30 20 CHED COC(=O)[C@H]1CCCC[C@@H]1CSc1cccc(C#N)c1 1651840585 VOFOSCOGFWZTHR-HIFRSBDPSA-N 289.400 3.630 30 20 CHED N#Cc1ccc(Oc2cc(-c3ccccc3)ncn2)cc1 1654926689 LKNSCIJJXCSRTA-UHFFFAOYSA-N 273.295 3.808 30 20 CHED CC[C@@H]1CN(C[C@H](C)CCC#N)CCN1Cc1ccccc1 1658775146 XTYDKLNYHKCBLW-IEBWSBKVSA-N 299.462 3.523 30 20 CHED CC[C@@H](NC(=O)Nc1cccc(C#N)c1)C1CCCC1 1673022773 VIYJAFJFLMQJQW-OAHLLOKOSA-N 271.364 3.649 30 20 CHED CCSc1cccc(NC(=O)Nc2cccc(C#N)n2)c1 1678738184 ONYUMAPZQNWVES-UHFFFAOYSA-N 298.371 3.709 30 20 CHED O=C(O)c1ccc(NN=Cc2cccc(C3CC3)c2)cc1F 1776075936 OAJRKHYRAOSNCD-UHFFFAOYSA-N 298.317 3.847 30 20 CHED O=C(O)c1ccc(NN=C2C[C@@H]3CC=CC[C@H]3C2)cc1F 1776076983 PGWLCAXOIHRSRC-QWRGUYRKSA-N 288.322 3.668 30 20 CHED C=CCCC1(C(=O)O)CCN([C@@H]2C[C@H]2c2ccccc2)CC1 1776168443 PHSWWDSYFVVMQM-DLBZAZTESA-N 299.414 3.676 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)cs2)cc1F 1777433818 RZASBYZNSNZRIR-PLNGDYQASA-N 290.315 3.790 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)c(F)c1 56476951 AGTDKQMHSRDNRT-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CCCC[C@H](C)N(C)c1nc(Cl)c(C#N)s1 309410310 KCDLKYMKEFDHJD-QMMMGPOBSA-N 257.790 3.683 30 20 CHED CN(CC1CC1)C(=O)c1ccccc1-c1ccccc1C#N 55521567 RMDDOFFGIXVVSG-UHFFFAOYSA-N 290.366 3.707 30 20 CHED C=CCCCSCC(=O)Nc1ccc(F)c(F)c1 117944775 OGZXEYXSFNEZSY-UHFFFAOYSA-N 271.332 3.603 30 20 CHED C[C@H](c1cccc(O)c1)N(C)Cc1ccc(F)cc1C#N 109784981 YROYYAYSZATMCA-GFCCVEGCSA-N 284.334 3.596 30 20 CHED CC(C)[C@@H](C(=O)OCC1(CC#N)CC1)c1ccccc1 174751193 IOLBCQKZNSHWGL-OAHLLOKOSA-N 271.360 3.663 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)CCCCCc1cccs1 109083860 IEXPRRQFEZGCGV-MRXNPFEDSA-N 292.448 3.905 30 20 CHED CCN(Cc1ccccc1O)[C@H](C)c1ccc(C#N)cc1 179561322 QGHPYGNZPPALFN-CQSZACIVSA-N 280.371 3.847 30 20 CHED C=CCCCC(=O)Nc1ccc(OC(F)F)c(F)c1 175364407 CDHIZUUAISWUNW-UHFFFAOYSA-N 273.254 3.722 30 20 CHED CCS[C@@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 176983278 DAEKEPCLRSQPHO-QWHCGFSZSA-N 280.462 3.774 30 20 CHED C[C@@H](NC(=O)c1cc2ccsc2[nH]1)c1ccc(C#N)cc1 26127679 CNCZKCWCHHRALN-SNVBAGLBSA-N 295.367 3.592 30 20 CHED C[C@H](NCCSCc1ccccc1C#N)c1ccoc1 177823710 HBVNWSYGAVWLRE-ZDUSSCGKSA-N 286.400 3.735 30 20 CHED C=C(C)CN(C)Cc1cc(Br)ccc1F 63742269 FUKZJWRJGSYPOF-UHFFFAOYSA-N 272.161 3.596 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCC1CC1 115007715 JOECCKKOBRHMSH-UHFFFAOYSA-N 293.750 3.706 30 20 CHED C=C[C@H](C)N[C@@H](C)c1cc(Cl)c(OC)cc1OC 119355980 LNNBDLPXPXAESM-UWVGGRQHSA-N 269.772 3.582 30 20 CHED Cc1ccc(CNC(=O)c2ccccc2SCC#N)cc1 25709940 PEIKJBJELWOXKI-UHFFFAOYSA-N 296.395 3.541 30 20 CHED Cc1ccc(C#N)cc1NCC(=O)Nc1cccc(C)c1C 63890057 YAKLZOCRHZJOGF-UHFFFAOYSA-N 293.370 3.534 30 20 CHED Cc1cccn2c(/C=C3/Cc4ccc(F)cc4C3=O)cnc12 176410366 IVZUMMNIDQGWCZ-JYRVWZFOSA-N 292.313 3.604 30 20 CHED Cc1c(C#N)cccc1NC(=O)CC1=CCCCC1 178387186 DVZRLDMBRAOBCM-UHFFFAOYSA-N 254.333 3.696 30 20 CHED CCON=Cc1cc(Br)c(Cl)s1 308154872 OHVHWXTZQZRBHN-UHFFFAOYSA-N 268.563 3.534 30 20 CHED C=CC[C@@H](C)NC(=O)CCCc1nc2ccccc2s1 116854944 HGZSDXXQFRODKQ-GFCCVEGCSA-N 288.416 3.700 30 20 CHED COCCC1(CNc2c(F)cc(C#N)cc2F)CCCC1 301628832 BSWZWILXMWEHDT-UHFFFAOYSA-N 294.345 3.845 30 20 CHED N#Cc1ccc(NCC2(N3CCCCC3)CCCCC2)cn1 301712801 FMAQGYVBCGQSPW-UHFFFAOYSA-N 298.434 3.554 30 20 CHED C[C@@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 301338504 HHJQRQVDPYCUHV-LLVKDONJSA-N 285.778 3.996 30 20 CHED CS[C@H]1CCCCN(c2c(Cl)cccc2C#N)C1 301795493 STEPSVJIIMXFAW-LBPRGKRZSA-N 280.824 3.934 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1ccccc1C#N)C2=O 120774643 BWTGVWBXPWAQGZ-XNTDXEJSSA-N 289.334 3.779 30 20 CHED C=CC[C@H](C)NC[C@H](C)Cc1ccc(OC)c(F)c1 185291852 UJJSZRNQKXMXSA-OLZOCXBDSA-N 265.372 3.567 30 20 CHED C[C@H](c1ccccc1)N(C)c1ccc(Cl)c(C#N)n1 301513494 JEUJFVMMGFNWQG-LLVKDONJSA-N 271.751 3.804 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cncc(Cl)c1Cl 188058435 PZFXLBFFVDHQJB-LBPRGKRZSA-N 273.163 3.929 30 20 CHED C=CCCOCCNC1c2ccccc2-c2ccccc21 183920019 BBMVTNUQENZLMG-UHFFFAOYSA-N 279.383 3.939 30 20 CHED Cc1ccccc1C(=O)/C=C\c1ccc(O)c([N+](=O)[O-])c1 213701585 QRBNUCYXJXYUIV-VURMDHGXSA-N 283.283 3.505 30 20 CHED COc1cccc(Sc2cccc(F)c2C#N)c1 34398639 DHDWUOHFLGWVNS-UHFFFAOYSA-N 259.305 3.857 30 20 CHED C=CCCCCCN(C)Cc1c(Cl)nc(Cl)n1C 127770328 QSULVZKWSTYTNL-UHFFFAOYSA-N 290.238 3.905 30 20 CHED C=CCCO[C@H](C)C(=O)Oc1ccccc1C(C)C 125089473 BVIYXKURLHBWMK-CYBMUJFWSA-N 262.349 3.697 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(C#N)CC2)cc1 129377552 NWNPLOXTWOQBHM-HNNXBMFYSA-N 298.430 3.751 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H](C)c1cccc(Cl)c1 410146007 RKOOATQIZALCQQ-FZMZJTMJSA-N 265.784 3.914 30 20 CHED C#CCOC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 73932493 DZDRQQKBGAKFTB-OLZOCXBDSA-N 297.379 3.523 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(F)c(C#N)c1 121613517 ZYUQDUVZXAHMRM-LBPRGKRZSA-N 280.412 3.661 30 20 CHED CCOC[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 417372669 WFFOPTPYPMYUSO-YTQUADARSA-N 298.430 3.730 30 20 CHED N#Cc1cnc(NCc2coc3ccccc23)c(Cl)c1 358214052 RQHKMZYDCBUSLO-UHFFFAOYSA-N 283.718 3.965 30 20 CHED CCc1nc([C@H](C)NCc2ccc(C#N)cc2C)cs1 186329756 WAVOJEHDVGFYFT-LBPRGKRZSA-N 285.416 3.736 30 20 CHED CCN(Cc1ccc(F)c(C#N)c1)[C@@H](C)c1cccc(O)c1 121348466 WBPHUIBRVFENIW-ZDUSSCGKSA-N 298.361 3.986 30 20 CHED N#Cc1cc(NCc2cccc(F)c2)nc2ccccc12 70078943 VAGQIYQWWMQLQP-UHFFFAOYSA-N 277.302 3.858 30 20 CHED C=C(C)CCN1CCc2cc(OCC)c(OCC)cc2C1 509329277 YCAJSETZEUIFMC-UHFFFAOYSA-N 289.419 3.808 30 20 CHED COCc1cccc(OCc2ccc(Cl)cc2C#N)c1 185370711 IEVIBMJZDSVGOJ-UHFFFAOYSA-N 287.746 3.937 30 20 CHED N#CC1(CCN2CCC[C@@H]2C2CCOCC2)CCCCC1 411491986 FWNKBVKVPAOVLD-QGZVFWFLSA-N 290.451 3.742 30 20 CHED CCN(Cc1ccc(C#N)cc1Br)CC1CC1 181108144 YOYDKYUOKSIDOY-UHFFFAOYSA-N 293.208 3.553 30 20 CHED C=CCCc1ccccc1NC(=O)C1C[C@@H](C)O[C@H](C)C1 410350826 URNZROWQYBPQPA-ZIAGYGMSSA-N 287.403 3.947 30 20 CHED C[C@@H]1CC(C(=O)N(C)c2ccc(C#N)cc2)C[C@@H](C)C1 503421295 VYUGJWDKTBFNAF-STQMWFEESA-N 270.376 3.593 30 20 CHED O=C(/C=C\c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 211721357 RLXDWPTTWUYVHK-FPLPWBNLSA-N 289.237 3.769 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccncc1 186314264 NTQZJPAFYPAUAA-GOSISDBHSA-N 277.371 3.599 30 20 CHED COCCOc1ccc(SCc2cccc(C#N)c2)cc1 185048740 LHTJFENMSJLTPQ-UHFFFAOYSA-N 299.395 3.876 30 20 CHED N#Cc1ccc(NCc2ncc(-c3cccs3)o2)cc1 78579481 NTBHWXUBRYAUKY-UHFFFAOYSA-N 281.340 3.887 30 20 CHED CCn1c(S[C@@H](C)CCC#N)nc2ccccc21 188184295 PLQIHVMVNBMYEW-NSHDSACASA-N 259.378 3.841 30 20 CHED C=C(CC)CN[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 379659001 XZWZLMWQMCTDJI-SJLPKXTDSA-N 272.436 3.595 30 20 CHED C=CCn1c(SCCCF)nnc1-c1cccc(C)c1 132745865 LKLKIKOYLUZNNA-UHFFFAOYSA-N 291.395 3.891 30 20 CHED CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1(C)C 414336345 PJCLVVUGUCYTEG-LJISPDSOSA-N 278.440 3.641 30 20 CHED N#CC1(CC[S@@](=O)c2ccccc2)CCCCC1 414230440 OAFZONOVPLDGOA-GOSISDBHSA-N 261.390 3.658 30 20 CHED CC#CCN[C@@H](CC)c1cc(F)cc(Br)c1 132949243 MSFWLJNJWBDJHF-ZDUSSCGKSA-N 284.172 3.652 30 20 CHED Cc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1F 131178743 ZMXYBJULBHAIFQ-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CC(C)Oc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 45996772 NRSZWHKNJNDYSZ-UHFFFAOYSA-N 294.354 3.792 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C 48983803 PAGHBTSQGDINPC-ZDUSSCGKSA-N 279.771 3.768 30 20 CHED C#Cc1cccc(NC(=O)NCc2nc(C(C)C)cs2)c1 133086687 QWRWEDXOQXHOHQ-UHFFFAOYSA-N 299.399 3.570 30 20 CHED OC(=Nc1ccc2nncn2c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329155559 CJVAJSWZIPXQKD-AEGPPILISA-N 298.390 3.924 30 20 CHED Cc1ncc(N=C(O)C2C(C)(C)C2(C)C)c(C2CC2)n1 328774606 KIIHFOFGFFDUMG-UHFFFAOYSA-N 273.380 3.933 30 20 CHED Cc1ccc(C#N)cc1NC(=O)CCC1CCCC1 49495784 XUHVXHQSHDCAIE-UHFFFAOYSA-N 256.349 3.776 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C#N)cc2Br)CS1 86935073 JRNGRXWEZZTKSE-WCBMZHEXSA-N 297.221 3.627 30 20 CHED Cc1cccc(C)c1NC(=O)N(C)Cc1cccc(C#N)c1 43357924 NOFZEGGHQAMCPS-UHFFFAOYSA-N 293.370 3.839 30 20 CHED Oc1ccc2ccccc2c1/C=N/C1CCSCC1 194640217 BUVBAKPGHLZJBQ-GZTJUZNOSA-N 271.385 3.860 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(NCC(F)(F)F)c1 425275417 BDCDACINTITONQ-UHFFFAOYSA-N 286.297 3.812 30 20 CHED C=CCCCCCNc1ccc(C(=O)NC2CC2)cc1 195447545 DKISGPNLMAWWQL-UHFFFAOYSA-N 272.392 3.737 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 44958831 OHQNCGHLAKDSSD-VXGBXAGGSA-N 277.330 3.780 30 20 CHED Cc1sc(N=C(O)C[C@H]2CCCC(O)=N2)c(C#N)c1C 329480055 VITQIOVANQDYAA-SNVBAGLBSA-N 291.376 3.724 30 20 CHED COc1cc(O[C@H](C)c2ccc(C#N)cc2)ccc1C#N 194734192 ZNYRIDBROVGKFP-GFCCVEGCSA-N 278.311 3.579 30 20 CHED Cc1ncc(COc2ccc(C#N)c(Cl)c2)s1 190264839 ADIVRDBXUGWOGL-UHFFFAOYSA-N 264.737 3.556 30 20 CHED N#Cc1ccc(Sc2ccc([N+](=O)[O-])cc2F)cc1 48837437 FCZFEHCOQDFGPR-UHFFFAOYSA-N 274.276 3.757 30 20 CHED C[C@@H](Cc1ccsc1)Nc1nc2c(cc1C#N)CCCC2 44420070 LYRKVKQYTMELHY-LBPRGKRZSA-N 297.427 3.937 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1CCC[C@H]1C 425134043 UCJYZEGHXNJSBJ-IJEWVQPXSA-N 284.403 3.904 30 20 CHED CCOc1cc(NC(=O)c2cc(C#N)cs2)ccc1C 84095291 ANEOFJNRCNWPNX-UHFFFAOYSA-N 286.356 3.579 30 20 CHED C[C@H]1CN(c2ncc3c(c2C#N)CCC3)[C@H]1c1ccccc1 425229210 LCJOGLJFECNFAD-SCLBCKFNSA-N 289.382 3.639 30 20 CHED C=C(C)[C@H](NC[C@@H]1CCC=CO1)c1ccc(F)c(F)c1 194718277 LYFXWFTXFPINHR-BBRMVZONSA-N 279.330 3.864 30 20 CHED C[C@@H]1CCc2c(F)cccc2[C@@H]1Nc1ncccc1C#N 80231366 RXWUGYXRVPHTLC-BDJLRTHQSA-N 281.334 3.828 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1ccc(Br)cc1 88249758 MELIFJKADXODDP-NSHDSACASA-N 293.208 3.794 30 20 CHED C[C@H]1C[C@@H](Nc2nc3c(cc2C#N)CCCC3(C)C)CCO1 428149165 BVPMOMIFDVUOFB-WFASDCNBSA-N 299.418 3.547 30 20 CHED Cc1coc(C)c1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 334873487 ZTCKFTXSCCZFDD-INIZCTEOSA-N 294.354 3.576 30 20 CHED N#Cc1cccc([N+](=O)[O-])c1SCCC(F)(F)F 425260832 PMWAGGCTBZMIMC-UHFFFAOYSA-N 276.239 3.511 30 20 CHED CC1(C#N)CCC(N[C@H]2CCOc3ccc(F)cc32)CC1 336224519 IUELYPAEDKVLFS-GULBITTBSA-N 288.366 3.711 30 20 CHED C=CCSCCN[C@@H](COC)c1ccc(Cl)cc1 194091295 PDARGWQWUYXAJG-AWEZNQCLSA-N 285.840 3.536 30 20 CHED C[C@@H](c1ccccn1)N(C)CC#Cc1ccc(Cl)cc1 91701809 QOICUEDJFWZYCT-AWEZNQCLSA-N 284.790 3.780 30 20 CHED C#CCOc1ccccc1CNc1cnc2ccccc2c1 236690567 CJMZYFLAXVESLN-UHFFFAOYSA-N 288.350 3.859 30 20 CHED N#Cc1cnccc1/C=C/c1cnc(C(F)(F)F)s1 335938671 JTMGOJRFNCJBAX-OWOJBTEDSA-N 281.262 3.599 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccc2[nH]ccc2c1 620858469 HQWFLSNCHBGLKE-UHFFFAOYSA-N 256.349 3.643 30 20 CHED CSc1ccccc1[C@H](C)Nc1cccc(C#N)n1 336941278 IEZLAYMAIBXVHS-NSHDSACASA-N 269.373 3.848 30 20 CHED CC#CCSc1nnc(Nc2cccc(C)c2)s1 97599316 SJRWZXVXDUXSNK-UHFFFAOYSA-N 275.402 3.706 30 20 CHED N#Cc1c(Cl)nsc1N1CCS[C@@H]2CCCC[C@H]21 92670721 RMDCDCCOZJATDO-NXEZZACHSA-N 299.852 3.533 30 20 CHED Cc1cccc(Cc2noc(C3(C#N)CCCCC3)n2)c1 330895391 GDWCMOWPWPGEFN-UHFFFAOYSA-N 281.359 3.694 30 20 CHED Cc1cc([C@H](C)/N=C(/O)c2cncnc2C(C)C)c(C)o1 330533820 NUBFIAGOKYLNJD-NSHDSACASA-N 287.363 3.876 30 20 CHED CC(C)(CCC#N)CN1CCc2c(F)cc(F)cc2C1 93838409 PSKYTOOFRNPMJZ-UHFFFAOYSA-N 278.346 3.653 30 20 CHED Cc1ccccc1[C@H]1CCN(c2c(C#N)cccc2C#N)C1 436389299 ULFLUADUFNGZHH-KRWDZBQOSA-N 287.366 3.732 30 20 CHED C=CCC[C@H](NCc1ccc(OCC)cc1)C1CC1 439078620 OWAOCLCUTJBMFE-KRWDZBQOSA-N 259.393 3.920 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCC(C)(C)CCC#N)o1 343334616 NCTZIUBASRUCAO-JSGCOSHPSA-N 260.381 3.823 30 20 CHED COC(=O)[C@@H](Sc1ccc(C#N)cc1)c1ccsc1 347681177 GMEVXGSIBDCOSR-ZDUSSCGKSA-N 289.381 3.626 30 20 CHED Cc1cc(NCc2ccc(Cl)cc2F)cc(C#N)n1 343016003 NPBWIMFUUHSNPA-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CC[C@H](C(=O)NCC1(C(F)F)CC1)c1ccccc1 348747384 OHDGSQGOYKXKCE-ZDUSSCGKSA-N 279.330 3.508 30 20 CHED CC(C)(NCc1cccc(C#N)n1)c1ccc(Cl)cc1 602528190 CCHAQQWQCIEZNJ-UHFFFAOYSA-N 285.778 3.632 30 20 CHED C=CCOCCCC(=O)Nc1cc(SC)ccc1C 343258537 UZQCAGQIVAUKGD-UHFFFAOYSA-N 279.405 3.638 30 20 CHED C=CCCC1(c2nc(-c3ccc(O)cc3C)no2)CC1 436877792 BSSAZCZVWXXFEC-UHFFFAOYSA-N 270.332 3.748 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(Cl)cc1F 435739226 FPAVLTBKTWRPAW-SWLSCSKDSA-N 283.774 3.550 30 20 CHED CC(C)n1cc([C@@H](C)Nc2c(F)cc(C#N)cc2F)cn1 609585984 IPABZJIWUDUWEC-SNVBAGLBSA-N 290.317 3.787 30 20 CHED CC(C)(CCC#N)CNCc1nc2ccc(F)cc2s1 342312310 WMEXFUOZANPCFD-UHFFFAOYSA-N 291.395 3.855 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1C 520808634 NUECOOSSDSJVGY-UHFFFAOYSA-N 295.386 3.984 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)c1ccc(F)c(C#N)c1 431037852 MCQMSRZXBQJQBC-LBPRGKRZSA-N 294.329 3.679 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@@H](C2CC2)C1 343429648 SWSIRFASSSFGGX-LLVKDONJSA-N 299.324 3.621 30 20 CHED CCC(CC)N(C(=O)Nc1cccc(C#N)c1)C1CC1 609158164 MXRYIRAPMGHYRI-UHFFFAOYSA-N 271.364 3.743 30 20 CHED Cc1cccc(N=Cc2cc3ccccc3nc2O)c1 254827000 RJBJGXOMJMRCPE-UHFFFAOYSA-N 262.312 3.999 30 20 CHED CCC1(c2ccccc2)CN(C[C@@H](C)CCC#N)C1 602687562 NOJZYXUOOJBNAW-HNNXBMFYSA-N 256.393 3.590 30 20 CHED Oc1ccc(C=NNc2ccccc2C(F)(F)F)cc1 254614706 VJUMNGBLNAZQGB-UHFFFAOYSA-N 280.249 3.857 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(-c2nccc(C)n2)c1 342653448 AFGXEKOLQOJCLJ-LBPRGKRZSA-N 296.374 3.538 30 20 CHED CC[C@H](c1ccncc1)N(C)c1nccc(C#N)c1Cl 342367956 ZALVFWRXAGBMRZ-CYBMUJFWSA-N 286.766 3.589 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(C)c(Cl)c1 522661380 VEGVQTLTPCDJQM-SNVBAGLBSA-N 252.745 3.735 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H]1CCCSC1 341029270 ACMCEMHCRQEWTL-GFCCVEGCSA-N 293.457 3.590 30 20 CHED COc1cc(C#N)ccc1CNc1c(F)cc(F)cc1F 347073069 HTUUQDZAYOYYLJ-UHFFFAOYSA-N 292.260 3.596 30 20 CHED C=C(C)CN1CCC(OCC2CCCCC2)CC1 608500250 PCISDMNPPIHDLD-UHFFFAOYSA-N 251.414 3.624 30 20 CHED COCc1cc(C#N)ccc1NC[C@@H](OC)c1ccccc1 603270855 HDCHJYFWSXZYBJ-GOSISDBHSA-N 296.370 3.504 30 20 CHED CN(Cc1c(Cl)cccc1Cl)C[C@@H](C#N)CCC#N 352787685 GWPCIAPVTXHDKM-LLVKDONJSA-N 296.201 3.869 30 20 CHED C[C@H](CCC#N)CNCC1(Cc2ccc(F)cc2)CC1 602580899 FACIUDLVXDRQMX-CQSZACIVSA-N 274.383 3.678 30 20 CHED Cc1cc(-c2noc(/C=C\c3ccc(C#N)cc3)n2)c(C)o1 445863424 WYZDBOGRCMEVTN-FPLPWBNLSA-N 291.310 3.989 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(CCCC)C1CCCCC1 448819599 CCLMAWDUHFXVNH-CVEARBPZSA-N 279.424 3.539 30 20 CHED C=CCC[C@@H](CO)NCc1ccc(F)c(Cl)c1Cl 449701399 WFMHUMSJNKDGEB-JTQLQIEISA-N 292.181 3.549 30 20 CHED CC[C@H]1CN(c2cnccc2C#N)CC[C@H]1c1ccccc1 536684889 GYYLHUWUKUCASL-MAUKXSAKSA-N 291.398 3.973 30 20 CHED C=CCC[C@@H](NCCN(CC)C(C)C)c1ccco1 353499563 VJFOKTUZHULZTJ-OAHLLOKOSA-N 264.413 3.607 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2c1OCC[C@@H]2OC 351993151 HLJAHRNQDYZBPE-AWEZNQCLSA-N 289.375 3.697 30 20 CHED C=CCCC1(C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 356895870 NAVMCUSDJFWRCA-GFCCVEGCSA-N 273.380 3.539 30 20 CHED C=CCC1(C(=O)NCc2cccc(N(C)C)c2)CCCC1 449818960 OENAJBJWXNGVRE-UHFFFAOYSA-N 286.419 3.505 30 20 CHED CCCCn1ncc(N[C@H]2CCc3ccc(C#N)cc32)c1C 353672612 AIALUMCKPSIGJY-KRWDZBQOSA-N 294.402 3.963 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H]2CCCC[C@@H]21)c1ccccc1 616725265 PKDCJTIPOGLHNW-PVAVHDDUSA-N 269.388 3.747 30 20 CHED C=CCCCC[C@@H](C)NCC1(SC)CCOCC1 449173421 KXJQXTFRVQCETH-CQSZACIVSA-N 271.470 3.623 30 20 CHED CCCOc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1 612163563 ULMNMKDIBYNEGL-KRWDZBQOSA-N 272.392 3.601 30 20 CHED C=CCCCC(=O)N[C@H](C)c1cc(C)ccc1OC 267125622 UTOXPDYIMAIMHK-CYBMUJFWSA-N 261.365 3.537 30 20 CHED N#CC1(c2nc(-c3cccc(C(F)F)c3)no2)CCC1 350930862 MFSNBOSISRPHGF-UHFFFAOYSA-N 275.258 3.619 30 20 CHED CC(C)(C)Oc1ccc(CNc2cnccc2C#N)cc1 611280871 QFORJXIXOMZABB-UHFFFAOYSA-N 281.359 3.743 30 20 CHED CCCCN1CCc2ccc(N[C@@H]3CC[C@H](C#N)C3)cc21 442833282 BRTXXRICQNTRIV-GOEBONIOSA-N 283.419 3.953 30 20 CHED C=CCCC[C@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 536995302 BMAUMZFJBIKRKA-ZDUSSCGKSA-N 274.364 3.698 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 350023114 UYMMYHFVOGHZOY-UHFFFAOYSA-N 286.379 3.657 30 20 CHED Cc1cccnc1[C@H]1CCC[C@H](NCC(C)(C)C#N)C1 619612233 KLRGNSVIICMJKV-GJZGRUSLSA-N 271.408 3.556 30 20 CHED CCCN(CCCC#N)[C@H]1C[C@H](OCC)C12CCCC2 354462094 RJOSHKXURGMECW-HOTGVXAUSA-N 278.440 3.740 30 20 CHED C=CCC1(NC(=O)CCCC(F)(F)F)CCCC1 619111451 YJRQGXYDIIVPLM-UHFFFAOYSA-N 263.303 3.724 30 20 CHED Cc1cccc2c1CCN2Cc1ccc(CC#N)cc1 612096503 BHUBGPJTHBZMKM-UHFFFAOYSA-N 262.356 3.624 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCN(c3ccccc3)C2)CCCC1 619110052 CVYOJWBYJMUMTF-MRXNPFEDSA-N 298.430 3.518 30 20 CHED CC(C)c1ccc(CCC(=O)N2CCC[C@](C)(C#N)C2)cc1 612236850 JJAMEMQPMBMYHK-LJQANCHMSA-N 298.430 3.895 30 20 CHED Cc1cccc(-c2n[nH]cc2CN2CCC[C@](C)(C#N)C2)c1 612406626 QKHRJDKLYFKQLS-GOSISDBHSA-N 294.402 3.511 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2CCO[C@H](C(C)C)C2)C1 617782074 XXRQMYIAWCHQSO-IKGGRYGDSA-N 293.451 3.642 30 20 CHED C=CCCN(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 265770446 IRVRBLKESTVQKU-FUHWJXTLSA-N 272.436 3.547 30 20 CHED Cc1nc(SCCC(C)(C)C#N)c2ccccc2n1 610285531 VZTFEZLDFXVZOS-UHFFFAOYSA-N 271.389 3.970 30 20 CHED CCO[C@@H]1CCCC[C@H]1N[C@@H](CC)c1ccc(C#N)cc1 453414642 SYKSSGSLMDWRFJ-RCCFBDPRSA-N 286.419 3.947 30 20 CHED Cn1ccc(C(=O)Nc2cccc(CC#N)c2)c1C1CCC1 456752268 OTIJMLANKIBNLZ-UHFFFAOYSA-N 293.370 3.611 30 20 CHED N#CC[C@@H]1CC[C@H](NC(=O)CCc2cc3ccccc3o2)C1 452561606 CQVIJWQPGAIBGV-ZFWWWQNUSA-N 296.370 3.564 30 20 CHED CC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCCO1 613428011 RVQWKKXCEHUNCH-KBPBESRZSA-N 287.407 3.620 30 20 CHED Cc1ccc([C@H](NCCCCC#N)c2ccccn2)cc1 279926479 FSPKCVUZHORCHC-SFHVURJKSA-N 279.387 3.763 30 20 CHED CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 610142502 SNABOBRGAGBKKC-WCQYABFASA-N 289.354 3.788 30 20 CHED CC1CC(C#N)(C(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)C1 548730906 UGZOWCMTJBLDTC-DONOWJBHSA-N 296.414 3.927 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@](C)(CC)C1 549667700 DKUBKTPCJWSDST-QGZVFWFLSA-N 290.455 3.994 30 20 CHED COc1cccc(-n2ccnc2S[C@H]2CC[C@H](C#N)C2)c1 278653723 WLBSYLFMEOUCMR-WFASDCNBSA-N 299.399 3.665 30 20 CHED C=CC(C)(C)CN[C@H](C)c1ccc(NC(C)=O)cc1 453311755 SVVNYLWKDQBFBP-GFCCVEGCSA-N 260.381 3.508 30 20 CHED C=CCC1(C(=O)NCCC(O)(CC)CC)CCCCC1 451105128 CBUVXIMDCCIYJH-UHFFFAOYSA-N 281.440 3.570 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](OCC3CC3)C2)CCCC1 450777531 KAQHBICKPHZXPH-MRXNPFEDSA-N 291.435 3.541 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1cccc(CC#N)c1 455956686 YLLDYRNWOJYREE-ZDUSSCGKSA-N 273.380 3.699 30 20 CHED C=C(C)CCNC(=O)N(CC1CCCCC1)C1CC1 458994002 FNBUPLZWFOQDOW-UHFFFAOYSA-N 264.413 3.707 30 20 CHED C=CC(C)(C)c1nc(Cc2ccc3c(c2)CCC3)no1 453167726 TYOIPDLDJICVEB-UHFFFAOYSA-N 268.360 3.613 30 20 CHED CCOC(=O)[C@H](CC(C)C)Sc1cccc(C#N)c1 541077015 ZFIMGVFRNXRHGR-AWEZNQCLSA-N 277.389 3.628 30 20 CHED C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1(C)C 273705812 NOTAJBWXYLTTJH-CYBMUJFWSA-N 285.391 3.653 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 456063715 JMEFMALNMHCXBM-MFKMUULPSA-N 298.308 3.774 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F 277763111 SAAWZAMCORCJBD-PWSUYJOCSA-N 277.330 3.848 30 20 CHED C=C(C)CCNC(=O)CCCOc1ccc(Cl)cc1 452725627 SNZURCDVIBOBFZ-UHFFFAOYSA-N 281.783 3.581 30 20 CHED C=CCCC(=O)N1CCCC[C@H]1c1ccc(F)cc1F 378189921 AYTGKCOLGHJYEJ-HNNXBMFYSA-N 279.330 3.985 30 20 CHED CCN(CC)Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 274209160 MZQQKVCKEOXWPG-RTBURBONSA-N 299.462 3.700 30 20 CHED C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2CCCC(C)(C)C#N)C1 374074977 OWOGPKJDRDLHGO-TWMKSMIVSA-N 292.467 3.578 30 20 CHED C=C[C@](C)(CC)c1nc([C@H]2CCCCS2)no1 289804986 RJLNOHFCPMTOPR-ZWNOBZJWSA-N 252.383 3.882 30 20 CHED CC(C)(C#N)Cc1nc(Cc2cccc(Cl)c2F)no1 289934259 AUZVZESVLXQQJK-UHFFFAOYSA-N 293.729 3.545 30 20 CHED C=C1CCN(C(=O)CC(C)(C)CC(=O)c2ccccc2)CC1 282445308 OIYQMZDAFWTUNW-UHFFFAOYSA-N 299.414 3.854 30 20 CHED COc1cc(C#N)ccc1CN(C)C1CCC(F)(F)CC1 287021572 RLMDATWVSGSIBJ-UHFFFAOYSA-N 294.345 3.577 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc2c(C)nn(C)c2c1 462871707 RBGTXGBRFNZJTC-NWDGAFQWSA-N 257.381 3.894 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 466130186 ONPPOOADVSKCLJ-ARFHVFGLSA-N 276.424 3.563 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC)cc1OC(C)C 466525205 AAFNSWSQXLOOIL-ZDUSSCGKSA-N 291.391 3.567 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CC1CC1)C1CCCCC1 280715481 UKXMLWCNQWNEQP-UHFFFAOYSA-N 286.375 3.645 30 20 CHED C=CCCC(C)(C)CNC(=O)NC1CC(C(F)(F)F)C1 633257278 DUHBYPZIIJLDTP-UHFFFAOYSA-N 292.345 3.619 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](CO)c1ccccc1Cl 554085420 BOFZFIJSDJDXIL-MELADBBJSA-N 281.827 3.606 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](C)c1ccccc1SC 281626442 CTTYBZUGUQHJGD-ZDUSSCGKSA-N 290.432 3.853 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2ccsc2s1 550913843 LILWSPIYTXHKJH-UHFFFAOYSA-N 266.391 3.899 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC12CCCC2 474371818 OOHOIYIONWZCND-HNNXBMFYSA-N 287.378 3.921 30 20 CHED C=CC1CCN(C(=O)NCc2ccc3ccccc3c2)CC1 477444004 MRGJVECWQVSCOW-UHFFFAOYSA-N 294.398 3.947 30 20 CHED C=C[C@H](C)NC(=O)Nc1cccc(C(F)(F)F)c1C 473816862 WFNBOIANQYGLJZ-QMMMGPOBSA-N 272.270 3.710 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccc(C)s1 807994325 NDAJSEIOAJADNI-UHFFFAOYSA-N 286.404 3.950 30 20 CHED CN(CCCC#N)Cc1c(Cl)cccc1Cl 299383548 OWHYCEPYHXREGJ-UHFFFAOYSA-N 257.164 3.729 30 20 CHED C[C@@H](C=NNc1nccnc1C1CCC1)c1ccccc1 807993875 HXTMSGHVPQGYBN-ZDUSSCGKSA-N 280.375 3.946 30 20 CHED N#Cc1ccc(CN[C@@H]2CCC[C@@H]2CCCF)cc1 800967109 IFDBYYRZCUOXCF-HZPDHXFCSA-N 260.356 3.566 30 20 CHED CN(CC(F)(F)C(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 808792251 GLXOMSIKNPHVEW-OCAPTIKFSA-N 295.242 3.940 30 20 CHED COc1ccc(C)cc1COC(=O)CCCCCC#N 805696780 LXYSFEVVJMWWSH-UHFFFAOYSA-N 275.348 3.521 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 470140774 HOQSELGJGGALCD-SNVBAGLBSA-N 295.314 3.600 30 20 CHED C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(C#N)cn2)C1 568407822 TZNFRNKMEOVYDW-UGSOOPFHSA-N 295.361 3.675 30 20 CHED C(=NNc1nccnc1C1CCC1)[C@@H]1C[C@H]1c1ccccc1 807991110 IYDOKIUAVJBGCE-HOTGVXAUSA-N 292.386 3.946 30 20 CHED N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCC2)nc1 562372036 XUAKVUCMQWJKBO-UHFFFAOYSA-N 297.789 3.776 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1Cc2ccccc2C1 292836917 FRGBTADUBSRCCN-UHFFFAOYSA-N 296.418 3.573 30 20 CHED COC1CCC(CCNc2nc(Cl)c(C#N)s2)CC1 804614384 LKVIQGXTLOYXSM-UHFFFAOYSA-N 299.827 3.675 30 20 CHED CC(C)(C)c1ncc(COC(=O)CCCCCC#N)s1 805931992 RNVRKRNPZRRUHC-UHFFFAOYSA-N 294.420 3.958 30 20 CHED N#CCCCCCC(=O)OCc1ccccc1Cl 805696744 IRTUFSBVEQOUOZ-UHFFFAOYSA-N 265.740 3.857 30 20 CHED COc1ccc2c(c1F)C/C(=C\c1ccsc1)C2=O 809157836 WFDXUHPRWKJXKB-UXBLZVDNSA-N 274.316 3.718 30 20 CHED Cc1cccc([C@H]2CCCN2c2cc(C)nc(C#N)c2)c1 561131097 QZPYOXNPTPXCBL-GOSISDBHSA-N 277.371 3.912 30 20 CHED CC1(C)CCCN(C/C=C/c2ccc(F)c(F)c2)[C@@H]1C#N 564305697 YGPGBFYGTXQMIZ-LLCTXKFZSA-N 290.357 3.992 30 20 CHED C#C[C@H](NC(=O)N[C@H](C)c1cc(C)sc1C)C(C)(C)C 808214487 JWFGVYVLSPPKIG-RISCZKNCSA-N 292.448 3.773 30 20 CHED C=CCN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 473172011 IEKSXBPXKWABTH-ZDUSSCGKSA-N 287.350 3.981 30 20 CHED CC[C@H](Nc1cc(C#N)ccn1)c1ccccc1OC 804347342 JOWBQMFYNQWELS-AWEZNQCLSA-N 267.332 3.525 30 20 CHED N#Cc1ccc(C=NNc2ccc(F)c(F)c2F)c(F)c1 814946701 ULXIIBKCJUYEAV-UHFFFAOYSA-N 293.223 3.561 30 20 CHED C=CCc1cc(CN2CC[C@H](C)[C@H]2CC)cc(OC)c1O 482496234 OBZZRMXSMBBULM-XJKSGUPXSA-N 289.419 3.750 30 20 CHED N#Cc1cc(NCCCCCO)ccc1Oc1ccccc1 488137190 UAHOFVUGGQVXLW-UHFFFAOYSA-N 296.370 3.925 30 20 CHED C#C[C@H](NCc1ccc(F)cc1)c1ccc(Cl)cc1 811517332 OOABPEFLXNRTHW-INIZCTEOSA-N 273.738 3.943 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 811589925 LUNKJKDNTCWVRV-LSDHHAIUSA-N 279.424 3.635 30 20 CHED CSCCC=NNc1cc(Cl)nc(Cl)c1 819828630 KSJIHCMBFWUMSH-UHFFFAOYSA-N 264.181 3.539 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@H]2CCC[C@H](C)C2)nc1 818801900 HJTVQBQQXPVMRS-RDJZCZTQSA-N 298.430 3.884 30 20 CHED N#Cc1cc(Cl)ccc1NCC[C@]1(O)C[C@H]2CC[C@H]1C2 488520966 WYYOOKZFWLQKFT-RBOXIYTFSA-N 290.794 3.565 30 20 CHED C[C@@H](NN=Cc1ccccc1C1CC1)c1ccncc1 819816844 QDGPLDSNMYDYDD-CYBMUJFWSA-N 265.360 3.644 30 20 CHED CC(C)(C#N)CC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F 486448772 HMLMXJSBIPMZPK-AWEZNQCLSA-N 298.308 3.520 30 20 CHED CC1(CNC[C@@H](O)c2ccc(C#N)cc2)CCCCCC1 819210466 DVOKIIOJLCTZSR-QGZVFWFLSA-N 286.419 3.542 30 20 CHED CCC[C@@H](/N=C\c1c(O)cccc1OC)c1ccccn1 729149659 MXVZRYGMZMGUQQ-VCRXTVNUSA-N 284.359 3.756 30 20 CHED C=CCn1cccc1C(=O)N(Cc1ccccc1F)C1CC1 488581186 MBNCGBOTEMXBEM-UHFFFAOYSA-N 298.361 3.618 30 20 CHED CCCN(CC#N)CCSc1ccc(C)c(C)c1 480103217 MHXXHPZVRBONKX-UHFFFAOYSA-N 262.422 3.631 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccccc1NC1CCC1 652788311 UVAUHELJFWMLGP-ZDUSSCGKSA-N 288.391 3.571 30 20 CHED C=CC[C@H](C)[C@@H](C)NCc1c(F)cc(F)cc1F 815649076 GXRPPTOVKVTRHI-VHSXEESVSA-N 257.299 3.794 30 20 CHED CC(=NNC[C@H]1CCSC1)C1CCC(F)(F)CC1 811661551 NIXLCHCGAWBRJL-LLVKDONJSA-N 276.396 3.531 30 20 CHED COc1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1OC 729151952 ZCEFSQFLVZMIFX-NTEUORMPSA-N 294.350 3.835 30 20 CHED C=CCCc1noc(COC[C@@H](C)c2ccccc2)n1 650619830 PEAFMTOVMCMLKP-CYBMUJFWSA-N 272.348 3.509 30 20 CHED CCCCCCCC(=O)Nc1n[nH]c(C2CC2)c1C 728069404 GBOVIUVLDNMONC-UHFFFAOYSA-N 263.385 3.895 30 20 CHED Cc1ccc(-c2ccc(C=NNc3ccc(C)nn3)o2)cc1 729935741 MSAONQDHVDJCBM-UHFFFAOYSA-N 292.342 3.799 30 20 CHED Cc1cccc(NC(=S)N(CCC#N)CC(C)(C)C)c1 729646471 YLAHKTWZRKSJCV-UHFFFAOYSA-N 289.448 3.954 30 20 CHED C=CCCCCCN[C@@H](c1ccccc1)c1cncnc1 584063514 TTWOGIYQAALPTM-SFHVURJKSA-N 281.403 3.902 30 20 CHED C=CCCCC[C@H](C)NC[C@@H](O)c1c(F)cccc1F 823925453 XSYFXDCLPRMZQZ-SWLSCSKDSA-N 283.362 3.723 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N[C@H]1CCc2ccc(C#N)cc21 583901730 PYLOKNGEMIIVFJ-KSZLIROESA-N 298.430 3.729 30 20 CHED C#Cc1cccc(N(CC)C(=O)/C=C\c2cccs2)c1 728480628 GOGSPGOCRLWFHH-KHPPLWFESA-N 281.380 3.796 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Cn1ccc2ccccc21 580909416 SXUQECSRYDIISG-GDBMZVCRSA-N 284.403 3.748 30 20 CHED N#Cc1ccc(CSCCOC2CC2)c(OC(F)F)c1 902341308 PANQOMUANDMFBQ-UHFFFAOYSA-N 299.342 3.572 30 20 CHED CC(C)c1ccc(C(=O)/C=C\c2ccc(C(=O)O)[nH]2)cc1 827112709 MJRUORNQLOSTDF-NTMALXAHSA-N 283.327 3.732 30 20 CHED N#Cc1ccnc(SCCCCC2(C#N)CCC2)c1 901468748 FGWURMIHQCUPLW-UHFFFAOYSA-N 271.389 3.910 30 20 CHED Cc1noc(C)c1[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 589341745 NVJYTNCGWUMMFI-QLJPJBMISA-N 281.359 3.501 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](CC)C(C)(C)c1ccccc1 497506061 PJAPAMPKCLTPNV-MRXNPFEDSA-N 288.435 3.960 30 20 CHED CC[C@@H](c1ccncc1)N(CC)C(=O)CCCCCC#N 588931969 QTKWQVKZKVRVRJ-INIZCTEOSA-N 287.407 3.855 30 20 CHED CC#CCCCC(=O)n1ccccc1=Nc1ccccc1 588473741 UEARNGLURZXDHJ-UHFFFAOYSA-N 278.355 3.554 30 20 CHED CC[C@H](NC[C@H](O)c1cccc(C)c1)c1cccc(C#N)c1 902880201 FVAQSTBDCSQCFO-OALUTQOASA-N 294.398 3.641 30 20 CHED C=C(Cl)CNC(=O)c1cc2c(ccc3ccccc32)[nH]1 736240008 FDAWLBLSTLHSOZ-UHFFFAOYSA-N 284.746 3.803 30 20 CHED O=C(C1CCCC1)N(O)Cc1cccc2ccccc12 900091798 NUXTZGGUXZIALW-UHFFFAOYSA-N 269.344 3.748 30 20 CHED N#C[C@H](NC(=O)/C=C\C1CCCC1)c1ccc(Cl)cc1 493326396 SOERMKRHXXCQHT-ANOSYLROSA-N 288.778 3.767 30 20 CHED C=CCN(CC1CCCCC1)C(=O)c1ncccc1CC 499715302 WMMKHQATAXSNQA-UHFFFAOYSA-N 286.419 3.853 30 20 CHED C[C@H]1CC[C@H](C=NNc2cc(C(F)(F)F)ccn2)C1 834984645 XGYVOBUFCROEST-UWVGGRQHSA-N 271.286 3.934 30 20 CHED CCSc1ccccc1[C@H](C)NCC(C)(C)C#N 903100605 UMFAIRHFJICNKG-LBPRGKRZSA-N 262.422 3.999 30 20 CHED C/C=C\c1ccc(NC(=O)C2(C#N)CC(C)C2)cc1 588780266 HKVGIMAOGHWJJC-ARJAWSKDSA-N 254.333 3.598 30 20 CHED C=CCNC(=S)Nc1cccc(C#Cc2ccccc2)c1 909544367 VRNKTDZSHXAOGE-UHFFFAOYSA-N 292.407 3.559 30 20 CHED C=CCOc1ccccc1C/N=C/c1ccccc1O 731937690 NCQFWQGEFHXOQY-LDADJPATSA-N 267.328 3.576 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC(C)(C)c2ccccc21 583524799 FZJJDSJBFYISCA-CQSZACIVSA-N 287.403 3.682 30 20 CHED C#CCC[C@@H](C)OC(=O)c1oc(-c2ccccc2)nc1C 839043579 SGMWYVPMMJXDCU-GFCCVEGCSA-N 283.327 3.609 30 20 CHED CS[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 839056281 SPBFIGGQXUTOBO-SNPRPXQTSA-N 289.400 3.716 30 20 CHED C=C(CNC(=O)Nc1ccc(F)cc1F)c1ccccc1 672599052 TYYIZTWNEZNBCZ-UHFFFAOYSA-N 288.297 3.800 30 20 CHED C=CCN(C(=O)c1oc2c(F)cccc2c1C)C1CC1 678499750 PNDYUWJBPOCLHP-UHFFFAOYSA-N 273.307 3.671 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(C(C)(C)C)cc1 736954013 HYHQASGMOWXBLK-UHFFFAOYSA-N 266.772 3.858 30 20 CHED N#Cc1ccc(N(C(=O)C2CC3(CC3)C2)C2CCC2)cc1 598884267 BULCSBNVKLMCRV-UHFFFAOYSA-N 280.371 3.634 30 20 CHED Cc1cc(C)nc(NN=Cc2cccc(C(F)(F)F)c2)n1 916241729 GYJBPPHPQOWWHV-UHFFFAOYSA-N 294.280 3.558 30 20 CHED C[C@@H]1CCC[C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 594009429 MOJYHOTXXVTRGS-RKVPGOIHSA-N 298.430 3.822 30 20 CHED N#C[C@H]1CC[C@@H](Nc2ccc(SC(F)(F)F)nc2)C1 839191463 YAZKKFUKSJCPFK-DTWKUNHWSA-N 287.310 3.798 30 20 CHED N#CCN(Cc1cccc(OC2CC2)c1F)C1CCCC1 597014471 QPXKYZOLNCZCEF-UHFFFAOYSA-N 288.366 3.635 30 20 CHED CCc1ccc(C(=O)/C=C\c2conc2CC)s1 834412932 XCNKLNVOBQAXMD-ALCCZGGFSA-N 261.346 3.757 30 20 CHED CCCCCCCCC(=O)OCc1nccs1 917953305 GKXJWPRPIWFCOT-UHFFFAOYSA-N 255.383 3.937 30 20 CHED C=CCCCOC(=O)[C@H](C)CCc1cccc(F)c1 745584619 ITQQQXOMSYHGOB-CYBMUJFWSA-N 264.340 3.904 30 20 CHED N#C[C@H](c1ccccc1)N1CCCc2ccccc2C1 595309830 BMJSVPKSBQMVHZ-GOSISDBHSA-N 262.356 3.700 30 20 CHED Fc1cc(C=NNc2ccc(Cl)nc2)ccc1Cl 743449922 HXEOAGXTENLUNQ-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C[C@@H](NC1(C2CCC2)CC1)c1ccc(C#N)cc1F 593723196 SBKBHKWGAJQSGF-LLVKDONJSA-N 258.340 3.681 30 20 CHED CCN(C(=O)c1sc2cc(F)ccc2c1C)[C@H](C)C#N 598362765 IZSHLQBOPSJMKP-SECBINFHSA-N 290.363 3.723 30 20 CHED CC(C)(C#N)CCCN(CC(=O)OC(C)(C)C)C1CCC1 594051171 IDLOMXHETAHJHF-UHFFFAOYSA-N 294.439 3.513 30 20 CHED N#CC[C@@H]1CCCN(CCc2c(F)cccc2Cl)C1 595615723 RVFWFANMFGEFLI-LBPRGKRZSA-N 280.774 3.647 30 20 CHED C=CCn1c(S[C@@H](C)C(C)C)nnc1-c1ccco1 591039201 KCUHGZZWESNTPM-NSHDSACASA-N 277.393 3.861 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCN(C2CCCCC2)C1=O 678601599 ZWBRUKLOWXBOKR-DOTOQJQBSA-N 292.467 3.645 30 20 CHED Cc1cc2ccccc2nc1NN=C1COC(C)(C)C1 841631660 PUIMSRXFGGZBNU-UHFFFAOYSA-N 269.348 3.510 30 20 CHED C=C(C)CCOC(=O)[C@H](C)CCOc1ccccc1 745953134 BTYHSHXFKVZWGP-CQSZACIVSA-N 262.349 3.601 30 20 CHED COc1cc(Cl)c(F)c(C(=O)OCC(C)(C)CC#N)c1 842336908 JUVVMWYVENTNCZ-UHFFFAOYSA-N 299.729 3.584 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1ccccc1F 678881618 PPAQHTHRUNMTCZ-CYBMUJFWSA-N 263.356 3.619 30 20 CHED C[C@H]1CN(c2ncccc2C#N)CCc2ccc(Cl)cc21 593494035 XJWFJHRQPRLTRD-LBPRGKRZSA-N 297.789 3.773 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1ccc(F)c(F)c1)C2 747440062 KBMAFVVIUSZTGZ-SDQBBNPISA-N 286.277 3.796 30 20 CHED Cc1cc(C#N)ccc1N1CCO[C@H](c2cccc(F)c2)C1 846747243 FFFLVRKLEXJBNO-SFHVURJKSA-N 296.345 3.584 30 20 CHED N#Cc1c(F)cccc1SCc1ncc(C2CC2)o1 594898176 ZOQNOCKZSPIJLA-UHFFFAOYSA-N 274.320 3.855 30 20 CHED CCN(C(=O)CC1(C#N)CCCCC1)c1ccc(C#N)cc1 598816592 XNKKRBMXVNIPAJ-UHFFFAOYSA-N 295.386 3.775 30 20 CHED CC(C)(C#N)CCOC(=O)c1cc(Cl)nc(C2CC2)c1 847902531 WWNMAGBSPPZFES-UHFFFAOYSA-N 292.766 3.709 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H]1CC[C@H](SC)C1 743679616 BXMRPFBODJXDSI-KBPBESRZSA-N 284.469 3.658 30 20 CHED CC[C@H](CC#N)Nc1c(C#N)cnc2c(Cl)cccc12 591932281 WYVCYFGBKDBSJW-LLVKDONJSA-N 284.750 3.864 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(Cl)ccc1OCCC 844511572 OOMNEZAVQDWETQ-SNVBAGLBSA-N 298.770 3.756 30 20 CHED CC(C)(CCC#N)CN1CC(Cc2ccc(F)cc2)C1 590968434 NSPQPTRPCFAMMW-UHFFFAOYSA-N 274.383 3.630 30 20 CHED N#Cc1ccc(CNC2CCC(F)(F)CC2)cc1Cl 592367163 QQTLBQYBVKSTIP-UHFFFAOYSA-N 284.737 3.879 30 20 CHED CC(C)[C@H](NC(=O)CC1(C#N)CCCCC1)C(F)(F)F 597550033 IQRXZYSQVNEATN-LBPRGKRZSA-N 290.329 3.554 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)Nc1ccccc1C 743059302 WMBNTEFJUPPGGG-UHFFFAOYSA-N 298.317 3.790 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 593961605 HIKUYOHVZPOESA-ZTFGCOKTSA-N 298.430 3.822 30 20 CHED N#Cc1ccc(CONC(=N)C2CCCCCC2)cc1 746567536 YHGPLRODRCKFDL-UHFFFAOYSA-N 271.364 3.527 30 20 CHED C=CCNC(=S)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 746395562 YTCWNRNWCSYTLR-HOCLYGCPSA-N 288.460 3.563 30 20 CHED CCCCCCCC[S@](=O)Cc1cc(C)nc(C)n1 849223028 HCIMJGRWIPVCEU-IBGZPJMESA-N 282.453 3.703 30 20 CHED Cc1cc(C#N)ccc1N1CCC[C@@]2(CCSC2)C1 846756664 ZDHQZDSAJYVDMJ-MRXNPFEDSA-N 272.417 3.590 30 20 CHED C[C@@H](COC(=O)c1ccc(C(C)(C)C#N)cc1)CC(F)F 842445585 ZURYSUOTSIERQQ-LLVKDONJSA-N 295.329 3.936 30 20 CHED Oc1ccc(C=NNc2ccccc2F)cc1Cl 921257912 ZSSAXBIXIANVLN-UHFFFAOYSA-N 264.687 3.631 30 20 CHED CC(C[C@H]1CCOC1)=NNc1cccc(Cl)c1 751517712 UAVDIYBOYJSYEM-LLVKDONJSA-N 252.745 3.554 30 20 CHED CCCCCCCNC(=O)N(C)Cc1scnc1C 858111788 SPTPYTVXFZDOQY-UHFFFAOYSA-N 283.441 3.563 30 20 CHED N#Cc1csc(/C=C/C(=O)c2ccccc2F)c1 757464797 GKGQPUFPINKEFX-AATRIKPKSA-N 257.289 3.655 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CCc3ccc(F)cc32)c1 754031260 KTMCNOZUGOAEKU-QGZVFWFLSA-N 294.329 3.999 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cc(C)ccc1Cl)OCC 755427387 NQSHMJZLWNPLLF-CYBMUJFWSA-N 282.767 3.925 30 20 CHED C[C@H](NN=Cc1ccc(-n2ccnc2)cc1)c1ccccc1 920383187 TXWUGGZSFVOHTL-HNNXBMFYSA-N 290.370 3.557 30 20 CHED C#Cc1ccc(C(=O)N(CC2CCC2)c2ccccc2)cn1 752479443 MECDFTWTRUSQGF-UHFFFAOYSA-N 290.366 3.510 30 20 CHED C=CCC[C@H](C)N[C@@H](C)CCOCc1ccccc1 389915815 MTWJQNDLBBELFQ-HOTGVXAUSA-N 261.409 3.926 30 20 CHED CCCn1nc(C)c(C=NNc2cc(C)ccc2C)c1C 755565945 PZPJCKKGURTRQR-UHFFFAOYSA-N 284.407 3.973 30 20 CHED Cc1cc(C)cc(N(C)C(=O)c2ccc(C#N)c(Cl)n2)c1 752999992 ITXKVBYYTSDKPU-UHFFFAOYSA-N 299.761 3.500 30 20 CHED C=CCC1(NC(=O)CCCCCCCC)CCOCC1 855685803 HYTQDCLQHSNNAR-UHFFFAOYSA-N 281.440 3.979 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1C(=O)O[C@@H]1C=CCCC1 758120340 MKIHDQVNZXPQAF-GFCCVEGCSA-N 295.260 3.843 30 20 CHED CC(C)c1ccccc1OCCC(=O)OCCCCC#N 751823617 ALGCBECCWAOSEL-UHFFFAOYSA-N 289.375 3.816 30 20 CHED COc1ccc(-c2ccc([C@H](O)C3CC3)cc2)c(C#N)c1 854196306 VIABMFYWXHMVQR-SFHVURJKSA-N 279.339 3.677 30 20 CHED C=CCCSCCNC(=O)/C=C(/C)c1cccs1 857306367 BOHZTIDODUWLDA-QXMHVHEDSA-N 281.446 3.577 30 20 CHED C=CCN(C(=O)c1ccc(C)cc1Cl)C(C)C 756484734 GULITUBKLYKSRG-UHFFFAOYSA-N 251.757 3.685 30 20 CHED C#CCN(C(=O)N[C@@H]1CCC[C@H]1CC)C1CCCCC1 757284759 WNLRHDJBKRAWTH-GDBMZVCRSA-N 276.424 3.543 30 20 CHED C=CCc1ccc(OC(=O)C2(C)CCC2)c(OC)c1 750162108 BJSRKYGLNBRQIV-UHFFFAOYSA-N 260.333 3.519 30 20 CHED Cc1nn(C)c(C)c1C(=O)/C=C/c1cnc(C(C)C)s1 758430967 TUBRKFZWTMQPNB-VOTSOKGWSA-N 289.404 3.513 30 20 CHED CC[C@H](OC(=O)CC1(C#N)CCCCC1)C(F)(F)F 851061391 JQNJLFQIAWRTBI-JTQLQIEISA-N 277.286 3.735 30 20 CHED CCC(=NNc1ccc(Cl)c(Cl)c1)c1nccn1C 755634359 QXGXBSUOIYPQCN-UHFFFAOYSA-N 297.189 3.953 30 20 CHED C=C[C@H](CC)CC(=O)NC1CCN(C2CCCCC2)CC1 934021238 LSFWTOUGFZLIAS-OAHLLOKOSA-N 292.467 3.502 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@](C)(O)C1 766771932 MXKQWJNOTHHFCH-WBVHZDCISA-N 298.471 3.539 30 20 CHED COc1cc(/C=C/C(=O)c2ccco2)c2c(c1)C[C@@H](C)O2 769784206 QUDTUBHHWIAZJK-MVIFTORASA-N 284.311 3.508 30 20 CHED N#Cc1c(F)cccc1SCC1(Br)CC1 863335953 PKBGKERIRUOCJV-UHFFFAOYSA-N 286.169 3.717 30 20 CHED CC(C)C[C@@H](C)OC(=O)C(C)(C)Oc1ccc(C#N)cc1 764580033 BGORFGPSDVSODB-CYBMUJFWSA-N 289.375 3.693 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc2cc(OC)ccc2[nH]1 935608011 GHEZASHCLGSNKR-LLVKDONJSA-N 272.348 3.717 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1cnc(C)s1 761266665 JPHMZPJQSPURQO-UHFFFAOYSA-N 279.796 3.619 30 20 CHED Cc1ccccc1[C@@H](C)C(=O)N1CCc2ccc(C#N)cc21 935099645 WQJJDTGDKWMDTG-CQSZACIVSA-N 290.366 3.560 30 20 CHED C#CCC(C)(C)C(=O)N(CC)Cc1ccc(Cl)cc1 767057131 DTDUJZCGYYMUCC-UHFFFAOYSA-N 277.795 3.738 30 20 CHED CCO[C@H]1CCCC1=NNc1ccc2ccccc2n1 766432277 VZYKOTULDXDQDX-HNNXBMFYSA-N 269.348 3.592 30 20 CHED CCCC(=NOC[C@@H]1CCOC1)c1cc(C)sc1C 863107278 KDOJGZSFEBRSCG-CYBMUJFWSA-N 281.421 3.922 30 20 CHED Cc1cc(CNc2ccc(F)c(C#N)c2)cnc1Cl 762652507 QJUZVEPJWKWXCR-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CC[C@@H]1N(C(=O)CC2CC(OCC)C2)CCCC1(C)C 767228097 LMVPILQZNXWWSZ-GPANFISMSA-N 293.451 3.785 30 20 CHED CC(=NNc1c(C)cccc1F)c1sccc1O 769828388 SVNDIUVQKHCTAD-UHFFFAOYSA-N 264.325 3.737 30 20 CHED C#CCOc1ccc(COC(=O)/C=C\c2ccsc2)cc1 765138793 RTXDHMIJZFVHNL-YVMONPNESA-N 298.363 3.517 30 20 CHED C#Cc1ccc(-c2nc(CCC3CCCCC3)no2)cn1 761755399 LNFPESYKTAJTSP-UHFFFAOYSA-N 281.359 3.626 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1csc(C2CC2)n1 768648005 BOIVUHFZRFPQKA-UHFFFAOYSA-N 292.404 3.897 30 20 CHED CCc1nc(C)c([C@H](C)NCc2ccc(C#N)cc2)s1 765013058 QTQAXTGFKPYWMZ-NSHDSACASA-N 285.416 3.736 30 20 CHED CC[C@H](C(=O)Nc1cnc(Cl)cc1C#N)c1ccccc1 1117702496 ACSODNPDMNYIFP-ZDUSSCGKSA-N 299.761 3.739 30 20 CHED C#CCOc1ccc([C@H](C)NCC2CCCC2)cc1 765322845 MXQVVFICVDSCJL-AWEZNQCLSA-N 257.377 3.539 30 20 CHED C=CCC(F)(F)C(=O)Nc1cc(F)ccc1NC1CC1 870204018 SMCPDBADZGDCEK-UHFFFAOYSA-N 284.281 3.550 30 20 CHED N#C[C@@H](OC(=O)c1c(F)cc(F)cc1F)C1CCCCC1 776389116 IIFMBORWWMWVJR-CYBMUJFWSA-N 297.276 3.733 30 20 CHED C=C(Cl)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 773003287 CNFVANGGNXJANK-LLVKDONJSA-N 293.773 3.723 30 20 CHED Fc1ccc2oc(C=NN[C@@H]3C[C@H]4CC[C@H]3C4)cc2c1 774593503 OXNPZKSQPGNTIJ-ZIBATOQPSA-N 272.323 3.684 30 20 CHED C=C(CNC(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 1117487107 LUDVLUUPESRHBQ-ROUUACIJSA-N 298.430 3.922 30 20 CHED C#CCCCCNC(=O)Nc1ccc(F)cc1OC(C)C 779132683 IFTWBBDUPAGQSQ-UHFFFAOYSA-N 292.354 3.538 30 20 CHED Cc1cc(N(C)C)ccc1C[C@@H](C)NC[C@H](C)CCC#N 877593138 ZRBSZEBHZRAGAN-GDBMZVCRSA-N 287.451 3.522 30 20 CHED C=C(CC)COC(=O)Cc1cccc(OCCC)c1 773542046 MSBQUAIQQSJQQI-UHFFFAOYSA-N 262.349 3.527 30 20 CHED C=C(Cl)CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 777797236 GOURFELTIAUFRH-UHFFFAOYSA-N 298.091 3.841 30 20 CHED CC(C)(C)c1nn(CCCC2CC2)c(O)c1CCC#N 871736307 GJWGSVAIUZYDBI-UHFFFAOYSA-N 275.396 3.533 30 20 CHED CC#CCOC(=O)c1ccc(-c2cccs2)s1 1116534857 PVCGMWCJOFAWII-UHFFFAOYSA-N 262.355 3.657 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)Cc1ccccc1Cl 1116892245 MPGATCRGVGOXBT-LXZKKBNFSA-N 293.838 3.842 30 20 CHED CC(C)c1nccnc1NN=C[C@@H]1C[C@@H]1c1ccccc1 773078800 NPEYFRVRZWTSBQ-LSDHHAIUSA-N 280.375 3.801 30 20 CHED C=CCN(C(=O)NCC1(Cc2ccccc2)CC1)C(C)C 772625459 OXPVQCCXKFQZQU-UHFFFAOYSA-N 286.419 3.615 30 20 CHED C=C(C)COC(=O)c1ccccc1COC(C)(C)C 773705284 VDVFURXSUKAOHV-UHFFFAOYSA-N 262.349 3.735 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Cc1ccccc1CC#N 776979606 AYAUNSKADYCDLF-YOEHRIQHSA-N 298.430 3.626 30 20 CHED Cc1nc(C#N)cc(S[C@H]2CCCc3ccccc32)n1 882082517 ORLYTURJNRFEPQ-HNNXBMFYSA-N 281.384 3.826 30 20 CHED C#C[C@@H](C)N(C)Cc1ccc(-c2ccccc2F)o1 775184894 YDKZINDZYQMSER-GFCCVEGCSA-N 257.308 3.539 30 20 CHED C[C@@H](C#N)OC(=O)CCCOc1ccc(C(C)(C)C)cc1 771290435 FTEZRWKDSUPXMX-ZDUSSCGKSA-N 289.375 3.598 30 20 CHED CCC(CC)NN=C1CCC(C)(N2CCCC2)CC1 884431554 XFIIYAJDYMZWGR-UHFFFAOYSA-N 265.445 3.549 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)Cc2ccccc2CC#N)[C@H](C)C1 776936862 RZZLZSUIRDXIBA-CKEIUWERSA-N 285.387 3.663 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 777542620 UGSXRGTZOJWPQS-HNNXBMFYSA-N 292.810 3.849 30 20 CHED COc1cc(C)c(NCc2cccc(C#N)c2F)cc1F 774321403 BCVYDZAMZWBYJW-UHFFFAOYSA-N 288.297 3.766 30 20 CHED Cc1ccc(COC(=O)Cc2ccccc2CC#N)c(C)c1 770115445 NYZKSHNGMXIOHA-UHFFFAOYSA-N 293.366 3.655 30 20 CHED Cc1cc(C(=O)OCc2cccc(C#N)c2F)sc1C 774922641 BXZSAHUCHOBHLH-UHFFFAOYSA-N 289.331 3.733 30 20 CHED C#CCCCCCC(=O)N1CCCC[C@@H]1[C@@H](C)CC 779953081 CWEHVBJZEORKAT-JKSUJKDBSA-N 263.425 3.997 30 20 CHED Cc1cc(C=NNc2c(F)cccc2Cl)sn1 785461467 KIBJNAWDCFCRFQ-UHFFFAOYSA-N 269.732 3.690 30 20 CHED C=CCCCCCOC(=O)c1cccnc1N1CCCC1 782527686 SLCVUHZWYQNSOZ-UHFFFAOYSA-N 288.391 3.585 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C/c1cccnc1C)C2=O 788736263 QRBFPWNHSPLYIK-LICLKQGHSA-N 293.366 3.956 30 20 CHED CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)cc1F 1129654412 ZWMKFRBJFQXIRR-UKRRQHHQSA-N 288.366 3.642 30 20 CHED CC(C)(C)CC(=NN[C@H]1CCCOC1)c1ccccc1 780258346 PJXOKXXVCQFSMU-HNNXBMFYSA-N 274.408 3.596 30 20 CHED C=CCCCC(=O)OCc1cccc(Cl)c1F 786297113 BDJQHCDZQUWUEB-UHFFFAOYSA-N 256.704 3.879 30 20 CHED Clc1cncnc1NN=C1CCC[C@@H]1c1ccccc1 780281941 ZPCRGTUURXDTMI-GFCCVEGCSA-N 286.766 3.866 30 20 CHED C[C@@H]1CCC(=NNc2cccc([N+](=O)[O-])c2)[C@H](C)C1 783784426 CTXNNLGYHSMHTH-GHMZBOCLSA-N 261.325 3.819 30 20 CHED C=CCCCCCOC(=O)C[C@@H]1CCO[C@@H](CC)C1 784648840 NDWXYHIHLSLINO-CABCVRRESA-N 268.397 3.871 30 20 CHED C=C1CCC(C(=O)N2CCCc3cc(OC)ccc3C2)CC1 896153685 XLSFGZCTBGZZHW-UHFFFAOYSA-N 299.414 3.716 30 20 CHED CC(C)Oc1ccccc1C(=O)OCCCC(C)(C)C#N 783513676 SEHQLVYADZOVHK-UHFFFAOYSA-N 289.375 3.961 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C/c1nc2ccccc2s1 785856423 FWWWURQEQAKMGZ-NHAQELONSA-N 298.411 3.877 30 20 CHED Fc1ccc2c(c1)C(=NNc1ccnc(F)c1)CCS2 781133574 OXXCGENYVXJJFC-UHFFFAOYSA-N 291.326 3.672 30 20 CHED CC(=NNc1c(F)cccc1F)c1cnn(C(C)C)c1C 787158647 XMEPQGQJJQSAGZ-UHFFFAOYSA-N 292.333 3.887 30 20 CHED CCCCCCCCCCNC(=O)[C@@H]1CO[C@H](C)C1 784133180 XQZOTSYVLUAGJR-CABCVRRESA-N 269.429 3.668 30 20 CHED Cc1cc(Cl)ccc1/C=C1\CCc2nn(C)cc2C1=O 794964881 KBPFSAUWAMYBEK-XYOKQWHBSA-N 286.762 3.594 30 20 CHED O=C1/C(=C/c2ccc(F)c(F)c2)CCc2ccc(O)cc21 794959835 DXRARTBGAQYFET-KPKJPENVSA-N 286.277 3.883 30 20 CHED COc1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)cc1 899336736 YPAXDBRJRYLTPE-YHYXMXQVSA-N 282.343 3.513 30 20 CHED C/C(C=NNc1ncccc1C)=C/c1ccccc1 790185964 LRPCUHPFPZBVDZ-LWUUGPRASA-N 251.333 3.891 30 20 CHED CC(=NNc1ncnc2sccc12)c1cc(C)c(C)o1 799873682 VERFHSYAXNDBAA-UHFFFAOYSA-N 286.360 3.737 30 20 CHED N#Cc1cc(COC(=O)c2cccc(C3CCC3)c2)ccn1 798738892 SGAXFLXNFLCVGA-UHFFFAOYSA-N 292.338 3.578 30 20 CHED CC[C@@H]1CC[C@H](C)CC1=NNCCC(F)(F)F 797403795 ZIUHRJIYKSNPJD-VHSXEESVSA-N 250.308 3.731 30 20 CHED CC#CCCOC(=O)CC1CC(c2ccccc2)C1 798734041 FLKWJZDOIUKUPU-UHFFFAOYSA-N 256.345 3.527 30 20 CHED CSCCON=C1CC(c2ccc(Cl)cc2)C1 794572743 WEUDMOSDBUAGPF-UHFFFAOYSA-N 269.797 3.953 30 20 CHED CCCCCCCCN[C@H]1CCCc2nn(C)cc21 794808361 AIULKFXZIIBXPO-HNNXBMFYSA-N 263.429 3.748 30 20 CHED C=C(Cl)COC(=O)C1CC(c2ccc(F)cc2)C1 796093493 PPCPRGLHBQLZLV-UHFFFAOYSA-N 268.715 3.615 30 20 CHED CC(C)c1nccnc1NN=Cc1ccc2occc2c1 794935204 GMKHLQYKQUQQLF-UHFFFAOYSA-N 280.331 3.792 30 20 CHED C=C(C)CCc1noc(-c2cc(Cl)c(Cl)n2C)n1 795768768 VKRJSUAZTKNUEU-UHFFFAOYSA-N 286.162 3.891 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cccc(C(F)(F)F)c1 796857537 PQCJYXMAXABCLK-CYBMUJFWSA-N 285.265 3.688 30 20 CHED C#CCCCNc1ccc(OCC(F)(F)F)c(F)c1 799969523 SXKOJTHATDVCKC-UHFFFAOYSA-N 275.245 3.592 30 20 CHED CC(C)c1c(Cl)ncnc1NN=CC1CCCC1 797404972 LNAVTONBHHLBAY-UHFFFAOYSA-N 266.776 3.841 30 20 CHED N#Cc1ccc2c(c1)CCCCC2=NNCCC(F)(F)F 794859638 YRBNSPKXAZYIIT-UHFFFAOYSA-N 295.308 3.531 30 20 CHED N#Cc1ccc(Oc2ccc(Oc3cnccn3)cc2)cc1 1306986025 CPYGWNSAMXOBDJ-UHFFFAOYSA-N 289.294 3.933 30 20 CHED N#CCCN(Cc1nc(Cl)ccc1Cl)CC1CC1 273164936 BGSGCIXKSVYGIJ-UHFFFAOYSA-N 284.190 3.514 30 20 CHED C=CCC(C)(C)CNC(=O)[C@H](C)c1ccc(F)cc1F 1324582974 XPUGCDRUONNRKI-LLVKDONJSA-N 281.346 3.787 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2ccc(F)cc2C#N)CC1 517031329 LNJUATNUQZRRAW-LBPRGKRZSA-N 272.323 3.772 30 20 CHED C=CCOC(=O)/C=C/c1cc(Cl)cc(Cl)c1 1321578388 BKJGYORLVHPYMM-ONEGZZNKSA-N 257.116 3.736 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)CSc1ccccc1 187524181 MHFIJRIKQXBMSY-UHFFFAOYSA-N 290.432 3.710 30 20 CHED N#Cc1cccc(-c2nnc(C3(c4ccccc4)CC3)o2)c1 1322343434 UNPGTNAYJXUZPN-UHFFFAOYSA-N 287.322 3.688 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1 106477144 AGGQUYBOVPSUIQ-MRXNPFEDSA-N 252.292 3.797 30 20 CHED C[C@H]1c2ccc(Cl)n2CCN1Cc1ccc(C#N)s1 1329870434 LGXZXEWKJVOUHI-JTQLQIEISA-N 291.807 3.651 30 20 CHED N#Cc1csc(-c2nnc(-c3cc4c(s3)CCC4)o2)c1 1322201924 FUTDGGWATHKVBN-UHFFFAOYSA-N 299.380 3.887 30 20 CHED CC(C)(C#N)CCOC(=O)c1[nH]ccc1-c1ccccc1 1324719259 KMVQVQQJFZMLGI-UHFFFAOYSA-N 282.343 3.778 30 20 CHED Cc1ccccc1[C@H](CC(C)C)N=c1cc[nH]c(C#N)c1 1185354063 APSDSDHUDHXKBQ-SFHVURJKSA-N 279.387 3.883 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2ccccc2nc1O 1337552546 ZGPCYUOKOMQKKG-CQSZACIVSA-N 296.370 3.511 30 20 CHED CC(C)(C)c1ccc(NN=Cc2cc3ccccc3[nH]2)nn1 1256194828 TVQSCTHPPQBJSV-UHFFFAOYSA-N 293.374 3.701 30 20 CHED CC[C@H](C#N)N(CC)C(=O)CC[C@H](C)c1ccccc1 1337717163 VXMYZIKGPXDSTJ-GOEBONIOSA-N 272.392 3.721 30 20 CHED N#Cc1ccsc1NC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1333713584 SYLSSXCIFLIXOT-AAEUAGOBSA-N 289.404 3.664 30 20 CHED C=CCN(Cc1cnc(C(C)(C)C)s1)C(C)C 768546671 BZPZBIFRZZWZNJ-UHFFFAOYSA-N 252.427 3.837 30 20 CHED CCCCCC[C@H](C)NN=Cc1cccc2cn[nH]c12 1252256734 RQLWAJYWJFSRNY-ZDUSSCGKSA-N 272.396 3.845 30 20 CHED CCSCc1ccccc1C(=O)N(CC)[C@H](C#N)CC 1337580818 MAPLMKHYQMZQFI-AWEZNQCLSA-N 290.432 3.704 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccco1 1337552245 VABIVXFQWSFVLB-ZIAGYGMSSA-N 261.365 3.730 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(-c2ccccn2)s1 1339872919 SQOZMNVNFXQTQY-LBPRGKRZSA-N 286.404 3.535 30 20 CHED C=C(C)CCC(=O)N[C@H](c1ccccc1)C1CCOCC1 1262609818 YLMGTSWIHPUUFP-GOSISDBHSA-N 287.403 3.627 30 20 CHED C[C@@H](C#N)OCCN1C[C@@H](C(C)(C)C)Cc2ccccc21 1196919964 QNUPYWNQFVYQOS-HOCLYGCPSA-N 286.419 3.640 30 20 CHED CC(C)(C#N)CCCCOC(=O)C1(C(C)(F)F)CC1 1346843317 XARPHFCQAYFZBI-UHFFFAOYSA-N 273.323 3.685 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(F)ccc1F 1347513335 YFEFLRHVUWORGN-LBPRGKRZSA-N 265.303 3.536 30 20 CHED N#Cc1ccc(C(=O)OCCCCC(F)(F)F)c(F)c1 1343459587 CECAOYKPQBVHMI-UHFFFAOYSA-N 289.228 3.587 30 20 CHED N#CC[C@@H](OC(=O)C1(C(F)F)CCCC1)c1ccco1 1347949335 VDEYSRKBQJSIDF-LLVKDONJSA-N 283.274 3.603 30 20 CHED N#CC[C@@H](OC(=O)C[C@@H]1CCc2ccccc21)c1ccco1 1346719687 BWICQHBDGUPAIE-WMLDXEAASA-N 295.338 3.898 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H](COC)c1ccc(Cl)cc1 1340643759 NYGYNIFPJQJXRQ-HNNXBMFYSA-N 295.810 3.842 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ncc(Cl)s1 1321490201 BGDALHGGWVFNBW-UHFFFAOYSA-N 292.791 3.625 30 20 CHED N#C[C@@H](C(=O)C[C@@H]1C=CCC1)c1nc2cccc(Cl)c2[nH]1 1526620158 HNYCUMCIGLTYQM-MNOVXSKESA-N 299.761 3.749 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1524153531 WKTFQQYRXHYMEK-VDNDLQMASA-N 283.371 3.784 30 20 CHED C[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1535439577 NTSWYIGNVGEQJT-GXSJLCMTSA-N 278.302 3.601 30 20 CHED C[C@H](CC(=O)Nc1cc(F)cc(C#N)c1)c1ccccc1 1535146119 QVFUXGGOMCSDFO-GFCCVEGCSA-N 282.318 3.830 30 20 CHED CCCC[C@H](CC)C(=O)Nc1cc(C#N)c(F)cc1F 1532499952 UEXQZYOSCPDLEC-JTQLQIEISA-N 280.318 3.991 30 20 CHED C=C(CNC(=O)CCCc1ccc(F)cc1)c1ccccc1 1535094762 HRTOXKFGHMSATC-UHFFFAOYSA-N 297.373 3.978 30 20 CHED C=C(CC(C)C)C(=O)Nc1cccc(-c2noc(C)n2)c1 1548632864 GWKGRYDSLRUUOC-UHFFFAOYSA-N 285.347 3.586 30 20 CHED CC1(C)CCC[C@@H](CN2CC(Oc3ccc(C#N)cc3)C2)C1 1621380859 GHPZXFSEJCVZNO-MRXNPFEDSA-N 298.430 3.838 30 20 CHED N#Cc1ccc(CNc2cc(-c3ccccc3)ncn2)cc1 1559109422 SRSPSYBIWHEJFD-UHFFFAOYSA-N 286.338 3.627 30 20 CHED C[C@]1(Cc2ccccc2F)CCCN1c1ccnc(C#N)c1 1642847879 AGTNCOBLZFFLIC-GOSISDBHSA-N 295.361 3.694 30 20 CHED N#Cc1ccc(OCc2nsc3ccccc23)c(F)c1 1656374853 QLJYYZPGGMRBGW-UHFFFAOYSA-N 284.315 3.886 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1nc(C#N)c(Cl)s1 1651561866 CYHBEIMIBMPMDZ-SFYZADRCSA-N 257.790 3.905 30 20 CHED N#Cc1ccc(Sc2nc(C#N)c(Cl)s2)c(F)c1 1650764747 GBFDQRMHZWUEST-UHFFFAOYSA-N 295.751 3.830 30 20 CHED CCC[C@H](NCCc1ccc(C#N)cc1)[C@H]1CC1(C)C 1658538055 SXHJZEGFPQNDGG-SJORKVTESA-N 270.420 3.905 30 20 CHED CC[C@H]1c2ccccc2CCN1C[C@@H](C)CCC#N 1663618486 QSOLJHGHTLKHRQ-YOEHRIQHSA-N 256.393 3.936 30 20 CHED CC(=NNc1ccc(F)c(C(=O)O)c1)c1cc(C)c(C)o1 1776062980 VCZBISIEUILFOU-UHFFFAOYSA-N 290.294 3.570 30 20 CHED CC(C)(C)C1CC(=NNc2ccc(C(=O)O)cc2)C1 1776013162 KSDVCZXBTZENTQ-UHFFFAOYSA-N 260.337 3.609 30 20 CHED CC(C[C@@H]1C=CCC1)=NNc1ccc(C(=O)O)c(F)c1 1776076509 RZQJBFTUTCHXDC-LLVKDONJSA-N 276.311 3.668 30 20 CHED Cc1c(C(=O)Oc2ccc(C#N)cc2)oc2ccccc12 5576765 POGXJOIIXAEHGL-UHFFFAOYSA-N 277.279 3.832 30 20 CHED C[C@H]1CCc2c(C(=O)Nc3ccc(C#N)cc3)csc2C1 14908462 CGOHKHRDAYCRTO-NSHDSACASA-N 296.395 3.997 30 20 CHED CC(C)N(CCC#N)Cc1ccc(Cl)cc1F 162171770 GETXVYPPVGVLNZ-UHFFFAOYSA-N 254.736 3.603 30 20 CHED N#Cc1ccccc1OCc1ccc(Cl)cc1F 162181249 PMGIRMVURXZWJD-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3ccsc3)cc21 165009240 NXIPHTXWCVQZEO-ZZXKWVIFSA-N 297.379 3.874 30 20 CHED CC(C)(CCC#N)CN1CC[C@H](c2ccccc2)C1 155083461 ULNYFPQAFLSFSD-INIZCTEOSA-N 256.393 3.806 30 20 CHED C=CCCCCCN(C)C(=O)c1ccnc(Cl)c1 156813276 BDWAHXRDRCDSBS-UHFFFAOYSA-N 266.772 3.553 30 20 CHED CC#CCCSCc1nc(-c2ccc(F)c(F)c2)no1 154970280 XZFNDQAYEQBFAH-UHFFFAOYSA-N 294.326 3.661 30 20 CHED CCCCCCCCCC(=O)NC[C@H]1CCC[C@H](O)C1 122667377 MDQPHSZPEZCJGX-HOTGVXAUSA-N 283.456 3.794 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 124131359 LRIDSQSYUXAQMQ-UHFFFAOYSA-N 270.376 3.862 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCc2ccccc2Cl)c1 124720962 XVRSBXFBECLLSS-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C[C@H]1CC(C)(C)C[C@@H]1Nc1ccc(OCC#N)cc1 235547368 IRFFLUVTWZLWOI-WFASDCNBSA-N 258.365 3.826 30 20 CHED COc1ccc(C#N)cc1CSc1ncccc1Cl 129275310 JRVMMMGISOVMCQ-UHFFFAOYSA-N 290.775 3.908 30 20 CHED CCc1ccc(CNc2ccc(C#N)cc2OC)cc1 129881902 VBTNLUIYLJNNPD-UHFFFAOYSA-N 266.344 3.741 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(OC(F)F)cc1 130694281 PXGGLTNIZLWYDU-LBPRGKRZSA-N 267.319 3.742 30 20 CHED CCOc1ccc(NCc2ccc(C#N)cc2)c(C)c1 37781799 RMCCNGFTSGTRLS-UHFFFAOYSA-N 266.344 3.878 30 20 CHED CCN(CC)CCN(CCCCC#N)Cc1ccccc1 267392230 PCZMBQXFCIMUBG-UHFFFAOYSA-N 287.451 3.524 30 20 CHED CC(C)CN(Cc1cc(C#N)ccc1F)CC(C)C 41638432 SZOBXJAKZMUVJB-UHFFFAOYSA-N 262.372 3.811 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(Cl)nc1Cl 182494765 NMVVELJQEXHLJU-VIFPVBQESA-N 287.190 3.863 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1Nc1ncccc1C#N 301889844 QPHYAWCXFXVKOW-MLGOLLRUSA-N 263.344 3.689 30 20 CHED CC(C)(C)ON=Cc1ccc(Br)s1 308130676 AOQJOCUPLQJOBG-UHFFFAOYSA-N 262.172 3.660 30 20 CHED Cc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1Br 309719724 VMZCMQJGABXIMU-MNOVXSKESA-N 279.181 3.862 30 20 CHED CCc1ccc(Nc2nc(C)ccc2C#N)cc1C 311377013 IWPAZOLVZYJJPC-UHFFFAOYSA-N 251.333 3.876 30 20 CHED C=CCN(Cc1ccccc1)Cc1nc(C)cs1 81648865 NEXCODXZAFIBLT-UHFFFAOYSA-N 258.390 3.640 30 20 CHED CCN(C[C@H](C)C#N)C(=O)c1cc2cscc2s1 528027719 DKOBIUAFSVPKAP-SECBINFHSA-N 278.402 3.585 30 20 CHED N#Cc1cnc(NC2CCC(F)(F)CC2)c(Cl)c1 341362319 UMNSZAJOKHLRSK-UHFFFAOYSA-N 271.698 3.596 30 20 CHED COc1ccc(C#N)cc1NC/C=C/c1ccccc1 500996273 JRXOHRQAZRETFP-VMPITWQZSA-N 264.328 3.692 30 20 CHED COc1cc(C#N)ccc1OCCOc1ccc(C)cc1C 11957094 RRTMBYDHXDAOJI-UHFFFAOYSA-N 297.354 3.642 30 20 CHED N#Cc1ccccc1CN1CC=C(c2ccc(O)cc2)CC1 25680189 QYGBITSXDDSNOV-UHFFFAOYSA-N 290.366 3.553 30 20 CHED C=CCCC(=O)N[C@@H](C)c1cccc2ccccc12 32192674 JJWARMNVHCYDNX-ZDUSSCGKSA-N 253.345 3.983 30 20 CHED Cc1ccc2oc(C(=O)Nc3cccc(C#N)c3)cc2c1 42273096 VLGSEYYCIDEVSG-UHFFFAOYSA-N 276.295 3.865 30 20 CHED C[C@@H](c1cccs1)N(C)C(=O)c1cccc(CC#N)c1 44971647 GYRQEURWSCYDDB-LBPRGKRZSA-N 284.384 3.647 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2c(C)cc(C)cc2[nH]1 49033203 ALTWCIBADBFKHS-UHFFFAOYSA-N 270.376 3.823 30 20 CHED CC(C)N(Cc1ccccc1)C(=O)c1sccc1C#N 52029659 MWSQYDBEXYQBMW-UHFFFAOYSA-N 284.384 3.671 30 20 CHED Cc1cc(C)c(NC(=O)[C@H](C)SCCC#N)c(C)c1 58256437 HILYOKIHNPZHHV-ZDUSSCGKSA-N 276.405 3.586 30 20 CHED N#Cc1ccccc1N1CCCN(CC2CCCCC2)CC1 58580377 JYGXQKUAOJECTE-UHFFFAOYSA-N 297.446 3.651 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)C1CCCCC1 62904415 NTEGCJSCVVJEIZ-UHFFFAOYSA-N 282.387 3.653 30 20 CHED Cc1sc(NC(=O)c2ccc3c(c2)COC3)c(C#N)c1C 64379898 BRMQVKNFKWPCKS-UHFFFAOYSA-N 298.367 3.519 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(F)c1F 68917003 OSQKRFADPBOUOM-UHFFFAOYSA-N 276.198 3.537 30 20 CHED CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 76832627 QAJYWXATQFGSJV-UHFFFAOYSA-N 298.317 3.625 30 20 CHED C[C@H]1c2ccsc2CCN1c1snc(Cl)c1C#N 79864690 YOOIAWSUAFXFOW-ZETCQYMHSA-N 295.820 3.853 30 20 CHED CC(C)(CCC#N)CNc1ccc2c(c1)OCCCO2 80192118 RUFARNXXXXCYSX-UHFFFAOYSA-N 274.364 3.590 30 20 CHED C#CC[C@H](C)OC(=O)c1sc(-c2ccc(C)o2)nc1C 83788829 UGYIRNXAIXVFCW-VIFPVBQESA-N 289.356 3.589 30 20 CHED C=CCCc1csc(CC(=O)Nc2ccccc2C)n1 90065484 SFPYRJDKPYGYQU-UHFFFAOYSA-N 286.400 3.751 30 20 CHED C#CCCCCN[C@@H](C)c1cc(F)c(F)c(F)c1 90399036 ATCZLSXIEMKHMK-JTQLQIEISA-N 255.283 3.558 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccccc1 90750569 HVVWHGMHQOQNDA-UHFFFAOYSA-N 251.373 3.917 30 20 CHED C=CCC[C@H](NCC1([C@H](O)c2ccccc2)CC1)C1CC1 90770740 VOLUVIRVFWLYOX-ZWKOTPCHSA-N 285.431 3.835 30 20 CHED CCC1CCC(CNCc2cc(C#N)cs2)CC1 93492616 LHYXSLUGGDNPLX-UHFFFAOYSA-N 262.422 3.926 30 20 CHED CC(=O)Nc1cccc(C(=O)/C=C\c2ccccc2)c1 96766870 OJASVVYKGMYYOD-KHPPLWFESA-N 265.312 3.541 30 20 CHED N#CCCN(Cc1ccco1)Cc1c(F)cccc1Cl 96970451 SEZOJBLMXYGOHE-UHFFFAOYSA-N 292.741 3.988 30 20 CHED C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)c2ccccc21 98114351 BLKNDEIGRBOTBK-CYBMUJFWSA-N 268.360 3.611 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CCc1ccsc1 104543731 IEPZCFBLCKVYQU-UHFFFAOYSA-N 292.448 3.859 30 20 CHED C[C@@H](CC(=O)N[C@H](C#N)c1ccccc1F)c1ccccc1 108797897 YIBORNCZNPBUMN-SUMWQHHRSA-N 296.345 3.700 30 20 CHED Cc1cccc([N+](=O)[O-])c1N[C@@H](C)c1ccc(C#N)cc1 112209185 HMXLTLUJSFNVAT-LBPRGKRZSA-N 281.315 3.948 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 114757270 STEKAQKUWLOHPY-ZDUSSCGKSA-N 263.406 3.858 30 20 CHED CC(C)[C@H]1CCCN(C(=O)NCc2cccc(C#N)c2)CC1 114822167 YAKXJMOMWKBSBO-KRWDZBQOSA-N 299.418 3.526 30 20 CHED C=CC[C@@H](C)NC(=O)c1ccc(-c2ccccc2)nc1C 116858025 MSZGWODXQAAYBK-CYBMUJFWSA-N 280.371 3.751 30 20 CHED C=CCCCOC(=O)Cc1c[nH]c2cc(C)ccc12 117995086 FJAGPEOFUBRZRE-UHFFFAOYSA-N 257.333 3.528 30 20 CHED CCn1c(S[C@@H](C)c2ccc(C#N)cc2)nnc1C1CC1 118173950 XVUMNVMOPQRCJR-NSHDSACASA-N 298.415 3.900 30 20 CHED C#CCCCCC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 120106490 DGYFGEVYXZKKLR-SFHVURJKSA-N 287.378 3.977 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1cc2c(s1)CCCC2 121350524 DOACGWOVGLCHMG-BQYQJAHWSA-N 286.400 3.565 30 20 CHED C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1 121587473 FPRBBUZIEHXHLD-ACJLOTCBSA-N 280.346 3.890 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCF 124696583 JLWOFYZETQWACV-LLVKDONJSA-N 295.383 3.562 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccccc1OCC 126261443 CZMSZWOHCHJDEB-UHFFFAOYSA-N 288.391 3.678 30 20 CHED CCOc1ccccc1-c1nnc(S[C@H](C#N)CC)o1 127257928 IGWUNRCLKIYENK-JTQLQIEISA-N 289.360 3.530 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc(C#N)cc1 128456898 YGGKIUQZIFELAQ-VQHVLOKHSA-N 292.294 3.671 30 20 CHED C=CCCCCCN(C)C(=O)c1cnc(NCC=C)s1 129170072 IIKVISBYZPEWTD-UHFFFAOYSA-N 293.436 3.559 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(C2CCCC2)n1 129632010 OGDVYPUJRGGREN-LLVKDONJSA-N 263.410 3.535 30 20 CHED C=C[C@H](CC(=O)N(CC(C)C)C1CC1)c1ccccc1 130090681 RDXGWBOCGXIHJY-OAHLLOKOSA-N 271.404 3.993 30 20 CHED CCC(CC)n1ccc(COc2cccc(F)c2C#N)n1 133652091 XEUQZNWTHNCWGR-UHFFFAOYSA-N 287.338 3.834 30 20 CHED CC(=O)c1ccc(NCCOc2cccc(C#N)c2)cc1C 135076199 YEKSMYHBFACCPU-UHFFFAOYSA-N 294.354 3.560 30 20 CHED N#Cc1cccc(NC(=O)CC2CCCCCC2)c1 135798797 BSUPNEKIUHWFIZ-UHFFFAOYSA-N 256.349 3.857 30 20 CHED C#CCCCCNC(=O)Nc1ccc(-c2nccs2)cc1 150994779 CAQPGEOYTLYTAJ-UHFFFAOYSA-N 299.399 3.735 30 20 CHED N#CCC[C@H](C#N)COc1cc(Cl)cc(Cl)c1 153434311 SGORPECNFZSGIC-SECBINFHSA-N 269.131 3.816 30 20 CHED N#CCOc1ccc(N[C@H]2Cc3ccc(Cl)cc3C2)cc1 158838398 GHLNUVFWTLJTGF-INIZCTEOSA-N 298.773 3.822 30 20 CHED N#CCCN(Cc1ccco1)Cc1cnc(C2CC2)s1 159621759 GVXONOHJZSMQAN-UHFFFAOYSA-N 287.388 3.529 30 20 CHED C=C[C@@H](CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1 160119499 YTZZQGGSYNOAEQ-INIZCTEOSA-N 290.366 3.881 30 20 CHED CCc1oc2ccccc2c1C(=O)[C@H](C#N)c1ccccn1 165463223 DUMVWTWJMUGDAS-CYBMUJFWSA-N 290.322 3.880 30 20 CHED C=CCCS[C@@H](C)C(=O)Nc1ccccc1CC 172671325 DPGUXOXJBOUUGN-LBPRGKRZSA-N 263.406 3.885 30 20 CHED CCN(C(=O)c1cc2ccccc2o1)c1ccc(C#N)cc1 174069634 VNQBUUODNVMPLD-UHFFFAOYSA-N 290.322 3.971 30 20 CHED CC(C)[C@@H](C(=O)OCCCC#N)c1cccc(Cl)c1 176731235 SMTNYTXOORVQAV-CQSZACIVSA-N 279.767 3.927 30 20 CHED CC(C)[C@H](CNCC(C)(C)CCC#N)c1cccnc1 177596495 BTDQGWQXFHZZNO-INIZCTEOSA-N 273.424 3.741 30 20 CHED C[C@H](O/N=C(\N)C1CCCC1)c1ncc(-c2ccccc2)o1 177670980 YQWWNCKUGJNXRC-LBPRGKRZSA-N 299.374 3.882 30 20 CHED C=C(C)CS[C@@H](C)C(=O)Nc1ccccc1Cl 177864475 PGRPXSOXZBTBHP-JTQLQIEISA-N 269.797 3.976 30 20 CHED C#CCCCN[C@H](C)c1ccc(OC)c(Br)c1 178052654 VBWJXGCZBCJSPX-LLVKDONJSA-N 296.208 3.522 30 20 CHED C[C@H](CCC(=O)NC1(C#N)CCCCC1)c1ccccc1 178930980 DUWBZESARJGMOU-OAHLLOKOSA-N 284.403 3.913 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(-c2ccc(F)cc2)o1 179453165 VUDVYQHKXVMUSS-GFCCVEGCSA-N 272.323 3.820 30 20 CHED CC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2C)cc1 180447794 UMRHBJFRUOTHEB-FMIVXFBMSA-N 279.339 3.850 30 20 CHED C=CCSCCN[C@H]1CCCOc2cc(C)ccc21 180457834 COZLBGGXQNADEZ-HNNXBMFYSA-N 277.433 3.718 30 20 CHED CC[C@@H](C)Sc1ccc(N[C@H](C#N)COC)c(C)c1 181331032 VQVQPBAAVOHZND-CHWSQXEVSA-N 278.421 3.836 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cnc(-c2ccccc2)nc1 182594150 PWAPDMZCDIRWEW-CQSZACIVSA-N 295.386 3.618 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)[C@H](C)CC)s1 183299040 QSUFRMFGTXOJKG-ZJUUUORDSA-N 264.394 3.803 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 185002970 AYJQXYLVUDPXNI-QGZVFWFLSA-N 285.387 3.552 30 20 CHED CC#CCCCC(=O)N1CCC[C@H]1c1ccccc1C 185231299 NUSKLYNEYWDPLM-KRWDZBQOSA-N 269.388 3.852 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2ccc(Cl)s2)C1 185783485 XCKIPCHPDDSIOQ-GHMZBOCLSA-N 268.813 3.616 30 20 CHED CC[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCS1 187099944 KFSKUQATCQUTGN-CQSZACIVSA-N 280.824 3.539 30 20 CHED Cc1ccc([C@@H]2CCCCCN2Cc2cc(C#N)n(C)c2)o1 191384699 HAXPMRDLVBMTMO-KRWDZBQOSA-N 297.402 3.916 30 20 CHED C[C@H](O)CCc1ccc(OCc2ccc(C#N)cc2F)cc1 192741934 YZWUZYVXSPDNSP-ZDUSSCGKSA-N 299.345 3.590 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccsc2)cc1[N+](=O)[O-] 213901053 UVHDWPIWOJEEOP-HYXAFXHYSA-N 273.313 3.861 30 20 CHED CC[C@H](CC#N)N[C@@H]1C[C@H](C)Sc2sccc21 216997010 DXVVCHQCGHULOY-HOSYDEDBSA-N 266.435 3.955 30 20 CHED C#CCCCNc1cc(Br)c(F)cc1F 228037538 JKNCICUORLQOCZ-UHFFFAOYSA-N 274.108 3.553 30 20 CHED C=CCN(C(=O)c1cc(Cl)nc(CC)c1)C(C)(C)C 228134786 WOOBFSSMDBEZEH-UHFFFAOYSA-N 280.799 3.724 30 20 CHED CC(C)(C#N)CN[C@H]1CCc2c(Br)cccc21 232515476 CUSWDUKHMONQTJ-ZDUSSCGKSA-N 293.208 3.576 30 20 CHED CCC1(CC)CCN(Cc2ccc(C#N)c(OC)c2)C1 232893046 POSZJEAUZOIWLF-UHFFFAOYSA-N 272.392 3.579 30 20 CHED CS[C@@H]1CCCC[C@H]1Nc1nc(Cl)c(C#N)s1 235087227 MJADMRNSDCJYRD-HTQZYQBOSA-N 287.841 3.754 30 20 CHED CC(C)(CNCc1cccc(C#N)c1)Cc1ccccc1 236735412 YSZSJRQSGAYPED-UHFFFAOYSA-N 278.399 3.917 30 20 CHED C#CCOc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2C)cc1 237597552 OWTWDWFYGDJQJR-YWZLYKJASA-N 291.394 3.722 30 20 CHED N#CCCCCNCc1csc(-c2ccc(F)cc2)n1 237782873 HKONZMIJKKEWSA-UHFFFAOYSA-N 289.379 3.733 30 20 CHED CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 246361935 HDHHHWYDVOEUBT-OUAUKWLOSA-N 298.169 3.942 30 20 CHED N#CCC[C@@H](N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 246578377 YLWAZXGNPJKKFJ-QMCVQRASSA-N 254.377 3.810 30 20 CHED C[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 248380973 RSIYFPSMWWFFJY-QCPWZWHMSA-N 282.387 3.562 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H]2CCCc3ccccc32)C1 248944658 ZBYMJGKIXVIGAX-OIISXLGYSA-N 268.404 3.778 30 20 CHED CC(=O)Nc1ccc(C(C)=NOCC2CCCC2)cc1 255504170 GVZFXRCNIPBHHR-UHFFFAOYSA-N 274.364 3.576 30 20 CHED Cc1ccsc1C(=O)/C=C\c1cccc(C#N)c1 255770419 JBKHDXOXHCTIKB-WAYWQWQTSA-N 253.326 3.824 30 20 CHED CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1 265657512 ZDYROYJIBAHBOK-BBRMVZONSA-N 270.376 3.599 30 20 CHED C=C1CCN(Cc2nc(C(C)(C)C)cs2)CC1 267999604 MMIWQKYHHBOFQB-UHFFFAOYSA-N 250.411 3.593 30 20 CHED C=CCN(C(=O)Nc1cc(Cl)ccc1C)C1CC1 271388072 QPHSHWPFXACUFP-UHFFFAOYSA-N 264.756 3.831 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(C(C)C)nc1 272643357 OOKHLBTUYGCOPX-UHFFFAOYSA-N 298.386 3.669 30 20 CHED CC[C@@H](C)c1noc(/C=C/c2cccc(C#N)c2)n1 273646179 CRLQGJGKUHCOHN-WSKFYRRCSA-N 253.305 3.625 30 20 CHED C[C@H](NCCC[C@H]1CCCCO1)c1ccc(C#N)c(F)c1 274070173 UWAHIJBBAQBPLB-XJKSGUPXSA-N 290.382 3.697 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cncc2ccccc12 276332291 YKKQRRUDGYBFAC-UHFFFAOYSA-N 295.386 3.779 30 20 CHED C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 280258020 UUPDFJPQBLHTBF-UONOGXRCSA-N 284.403 3.748 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1sccc1C 281103654 QIWJWQUIKUXPAE-YNEHKIRRSA-N 263.406 3.631 30 20 CHED C#Cc1cccc(N(C(=O)c2cc(C3CC3)no2)C(C)C)c1 281602378 FYVVTJTZYZAOFB-UHFFFAOYSA-N 294.354 3.589 30 20 CHED C=CCCN(C)C(=O)c1c(-c2ccccc2)noc1CC 281828736 LSIMWYVFUWINDY-UHFFFAOYSA-N 284.359 3.552 30 20 CHED Cc1ccc(C)c(N(C)CCCC2(C#N)CCOCC2)c1 281871304 CGMYWUHPGLZAOS-UHFFFAOYSA-N 286.419 3.840 30 20 CHED CC[C@](C)(C#N)C(=O)Oc1cc(Cl)cc(Cl)c1 285100919 UBRMXIDWKAXZIQ-GFCCVEGCSA-N 272.131 3.839 30 20 CHED CC#CCCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 286077905 JMKDZBWLROVJDF-QRVBRYPASA-N 295.426 3.975 30 20 CHED CC1(C)CN(c2ncccc2C#N)[C@H]1c1cccs1 288212215 LRSOZNYXZXHXNW-ZDUSSCGKSA-N 269.373 3.602 30 20 CHED C=CCOCCCC(=O)Nc1cc(C)c(F)cc1Cl 288888666 RFLARMHZFHJYNK-UHFFFAOYSA-N 285.746 3.709 30 20 CHED C=C[C@](C)(CCOC)c1nc(-c2ccc(Cl)s2)no1 289057241 LIESEFYJVXJGFZ-CYBMUJFWSA-N 298.795 3.932 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(OC)c(O)c1 293687632 KVMATKDRJOCXEC-GFCCVEGCSA-N 263.381 3.654 30 20 CHED N#C[C@]1(C(=O)N[C@@H]2CCCc3ccccc32)CC12CCCC2 294248851 FMXGNOARWCAANO-APWZRJJASA-N 294.398 3.654 30 20 CHED C=CCCc1noc([C@@H](C)OCCc2ccccc2)n1 296637676 BUSCAITYRDIUTG-CYBMUJFWSA-N 272.348 3.509 30 20 CHED C=CCN(CC=C)C(=O)NCc1ccccc1C(F)(F)F 299419502 FCVWRVLDMAKFBE-UHFFFAOYSA-N 298.308 3.589 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCO[C@@H]1c1ccccc1 301458894 ZMUAIAWCPZKJIO-RDTXWAMCSA-N 296.345 3.887 30 20 CHED CC(C)c1ccc(CN(C)c2ccc(C#N)nc2)cc1 301606563 YULBRSYQVSCPIA-UHFFFAOYSA-N 265.360 3.713 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@H](CC(C)C)C2)c1 302087571 FQCKOTBVFCKTIS-CQSZACIVSA-N 270.376 3.633 30 20 CHED C#Cc1cccc(NC(=O)c2ccccc2OCC2CC2)c1 303135514 QCIMIFSBJLHESE-UHFFFAOYSA-N 291.350 3.709 30 20 CHED OC(=Nc1csc(-c2ccncc2)n1)[C@@H]1CCCS1 328747274 LPPODCXCAZZDOP-JTQLQIEISA-N 291.401 3.689 30 20 CHED C[C@@H]1CC(=O)CC[C@@H]1/C(O)=N/[C@@H]1CCO[C@@H](C(C)(C)C)C1 328967493 NLOOBIBVHTZGJK-RJZRQDKASA-N 295.423 3.542 30 20 CHED C[C@@H]1CCC[C@H](C/N=C(/O)c2snnc2C2CC2)C1 329437351 AEPRJPJXILMIQK-ZJUUUORDSA-N 279.409 3.546 30 20 CHED O/C(CC/N=C(/O)[C@@H]1CCCSC1)=N/C1CCCCC1 329541031 XAGUBFBSBVJRBB-GFCCVEGCSA-N 298.452 3.765 30 20 CHED C[C@H](Sc1nnc(C2CCC2)n1C)c1ccc(C#N)cc1 329716332 WHWAHTNHPZSREY-NSHDSACASA-N 298.415 3.808 30 20 CHED N#CC1(/C(O)=N/[C@@H]2CCO[C@H](c3ccccc3)C2)CCC1 329833914 UJHKSCGWZNTXGF-CABCVRRESA-N 284.359 3.557 30 20 CHED CCCC1(C/N=C(/O)N[C@@H]2CCOC3(CCC3)C2)CCC1 330196658 QQGPYVQYPCVGSR-CQSZACIVSA-N 294.439 3.562 30 20 CHED C[C@H](N/C(O)=N/[C@H](C)CC1CCCCC1)[C@@H]1CCCOC1 330208144 AVVPJBBUOYDIGQ-IJEWVQPXSA-N 296.455 3.664 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 331014791 GICLUZKVZBAXEG-BBRMVZONSA-N 284.403 3.796 30 20 CHED CC[C@H](/N=C(/O)c1ccc(C(C)C)nc1)C1CCOCC1 331240173 MNZMKGHQDCLWNR-HNNXBMFYSA-N 290.407 3.715 30 20 CHED Cc1ccccc1C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 334649552 LBQVJYMUWUZTLV-WBVHZDCISA-N 268.404 3.867 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 335456690 OPCIGLKUKHKNPN-YOEHRIQHSA-N 296.414 3.892 30 20 CHED N#CCc1ccccc1NC(=O)CC1=CCCCC1 339169988 NELIGQJPAPATDT-UHFFFAOYSA-N 254.333 3.582 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 343054432 OVGYIOCNURYCQZ-GOEBONIOSA-N 281.334 3.841 30 20 CHED Cc1ccnc(NCc2coc(-c3cccs3)n2)c1C#N 343442124 SDFAIOXBDOHNBX-UHFFFAOYSA-N 296.355 3.590 30 20 CHED N#CCCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 345170463 IARUTEGRKOWIFT-UHFFFAOYSA-N 290.775 3.712 30 20 CHED CCS[C@@H](C)c1noc(-c2cccc(C#N)c2C)n1 346878124 UBAYCTXFBCOMBE-JTQLQIEISA-N 273.361 3.731 30 20 CHED C=CCCCCNCc1c(C(C)C)nc2sc(C)nn12 349636203 ZLYNDEOZZHWJFU-UHFFFAOYSA-N 292.452 3.669 30 20 CHED C=CCCCCNC(=O)N[C@H](CC)c1ccc(OC)cc1 351680423 RYNDPMJVWXAHQI-MRXNPFEDSA-N 290.407 3.802 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Oc2ccccc2)cn1 353071445 FJEQPSPIRHETIG-UHFFFAOYSA-N 295.342 3.752 30 20 CHED C=CCN(C(=O)Nc1c(C)cccc1SC)C1CC1 353210457 WWJPPZXESZTOPA-UHFFFAOYSA-N 276.405 3.899 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@@H](CCC#N)c2ccccc2)C1 359398604 LOZIWXXGFYZIQX-CVEARBPZSA-N 284.403 3.974 30 20 CHED N#Cc1cc(NC[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] 361704986 NBSMQGMTCBQODQ-CYBMUJFWSA-N 293.326 3.608 30 20 CHED N#Cc1cc(F)c(NC[C@H]2CCC(F)(F)C2)c(F)c1 362358581 KOAKQCVNAHLGFY-QMMMGPOBSA-N 272.245 3.684 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)C2CCOCC2)C1 365238681 VMSUXCRGASRBQE-AYOQOUSVSA-N 298.430 3.826 30 20 CHED C=CCCC[C@@H](C)N[C@H](C)c1ccc(F)cc1O 398072222 AIXKWRPTTPSYBU-VXGBXAGGSA-N 251.345 3.927 30 20 CHED CC#CCNC(=O)c1sc2cc(C)c(C)cc2c1C 409531621 BWAUSRPNGIGZJX-UHFFFAOYSA-N 271.385 3.580 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C 409745980 JSPHKRLVEPBBQW-WBVHZDCISA-N 286.419 3.615 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1cccc(OC(F)(F)F)c1 411473604 KQBANQLFEHDIFC-WDEREUQCSA-N 286.297 3.928 30 20 CHED N#CC1(CCSc2nncn2C2CC2)CCCCC1 412987066 ISQINTQXCXLOOY-UHFFFAOYSA-N 276.409 3.569 30 20 CHED CO[C@](C)(C1CC1)[C@@H](C)Nc1nc(C)c(C#N)cc1Cl 413507735 CJFIAOJUHVMHOE-BMIGLBTASA-N 293.798 3.531 30 20 CHED N#Cc1cccc(OCCSCC2CC(F)(F)C2)c1 419383193 DZUHMFCJCYVHPF-UHFFFAOYSA-N 283.343 3.716 30 20 CHED CCc1nc(CSCCC2(C#N)CCCCC2)no1 419390963 GWVHOYLCTXFFRK-UHFFFAOYSA-N 279.409 3.729 30 20 CHED CCc1cccc(Cl)c1CN[C@@H]1CC[C@H](C#N)C1 424193935 KYPRHHZCPBHUFC-WCQYABFASA-N 262.784 3.684 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccccc1COCCC 424610742 YQCVJYVHASYSEZ-UHFFFAOYSA-N 289.419 3.832 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(c2ccc(C#N)nc2)C1 425288075 WPBFLFWDEIVTPP-QGZVFWFLSA-N 277.371 3.931 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1OC(F)F 430751240 UEINPAZIJBMJHI-SNVBAGLBSA-N 298.308 3.772 30 20 CHED CC(C)[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccn1 435996166 SRGJOCNLWZATDE-OAHLLOKOSA-N 285.391 3.744 30 20 CHED Cc1cc(CNCCCc2ccccc2)ccc1C#N 443980111 BYJRFSYEJMRWPL-UHFFFAOYSA-N 264.372 3.589 30 20 CHED O=[N+]([O-])c1cccc(NCC#Cc2cccc(Cl)c2)c1 448100346 BJNQOCQRNCMGBN-UHFFFAOYSA-N 286.718 3.712 30 20 CHED C=CCOc1ccc(CC(=O)N(C)C2CCCCC2)cc1 448635732 SQZDVNDYMDPZDH-UHFFFAOYSA-N 287.403 3.585 30 20 CHED CCOc1ccc(C#N)cc1NC1CCC(COC)CC1 449223257 FPZLQUVOARXKHJ-UHFFFAOYSA-N 288.391 3.574 30 20 CHED CC1(C#N)CCC(NCC(F)(F)c2ccccc2)CC1 449279595 RNJTUQYIRXQVKK-UHFFFAOYSA-N 278.346 3.840 30 20 CHED C=CCC1(C(=O)N(C)CCCOC(C)C)CCCCC1 449922761 NCUKUNBJUUJTNG-UHFFFAOYSA-N 281.440 3.787 30 20 CHED C=C[C@H](C)NC(=O)c1c(F)ccc(SCC2CC2)c1F 450099375 YTNJQDMRRMGGGH-VIFPVBQESA-N 297.370 3.771 30 20 CHED C=CCCCC(=O)NCC[C@H]1CCc2ccccc21 452322466 ZKDZUWZGRNMKBI-OAHLLOKOSA-N 257.377 3.579 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(OCCC)cc1C 454552592 PMNPIJRDGDJXEM-UHFFFAOYSA-N 276.380 3.872 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)NCC(C)(C)CCC#N)C1 454968772 WIZRFIGOBVFCBE-KKUMJFAQSA-N 293.455 3.830 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CCCCC1 456372498 UPAKXHMUGUEFGY-QLFBSQMISA-N 261.409 3.818 30 20 CHED C=CCC1(CNC(=O)CCC(=O)c2ccccc2)CCCC1 456490886 YTXPVNLFKHETDX-UHFFFAOYSA-N 299.414 3.902 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H](C)C3)c2c1 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C=CCC1(NC(=O)CCc2nc3ccccc3o2)CCCC1 619105648 GTEDTYKNPYDZIJ-UHFFFAOYSA-N 298.386 3.766 30 20 CHED CCCC[C@@H](S[C@@H](C#N)Cc1ccccc1)C(=O)OC 619460583 FVLCAAFCYBCTCA-HUUCEWRRSA-N 291.416 3.586 30 20 CHED Cc1cc(C#N)ccc1CSCCC(=O)OC(C)(C)C 619648751 QDJMMXXLQAWCER-UHFFFAOYSA-N 291.416 3.832 30 20 CHED C=CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)C(C)(C)C 622945280 ZYGIURIFACCQOC-HUUCEWRRSA-N 281.440 3.641 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 666843573 KUHVHQKVMLHDLB-HZPDHXFCSA-N 272.392 3.540 30 20 CHED C=CC1CCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 668568816 KLJUCGZOVMPUDF-HUUCEWRRSA-N 261.409 3.627 30 20 CHED C=CCC[C@@H](CCC)NCCc1ccc2c[nH]nc2c1 671301861 QROYOXHKDRCALO-MRXNPFEDSA-N 271.408 3.830 30 20 CHED C=C(CNC(=O)c1ccc(F)c(Cl)c1)c1ccccc1 672481553 UXUNUNKDVQUGED-UHFFFAOYSA-N 289.737 3.922 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCCc2sccc2C1 678860582 OWGDEHYFXWMRSX-CYBMUJFWSA-N 292.448 3.951 30 20 CHED C=CCC1(C(=O)N[C@@H]2COc3c(Cl)cccc32)CCC1 682917250 SBIYPJBUIKHBGU-CYBMUJFWSA-N 291.778 3.636 30 20 CHED C=C(Cl)COc1cc(C)ccc1Br 699765744 CHIVRONACXWXLT-UHFFFAOYSA-N 261.546 3.889 30 20 CHED C#Cc1cccc(NC(=S)Nc2ccccc2N(C)C)c1 726462874 LTGBHWASBLIFPF-UHFFFAOYSA-N 295.411 3.543 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1CCCOC1 727708477 RZFFAWMLUXJZGB-OAHLLOKOSA-N 269.429 3.622 30 20 CHED C=CCCOC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 729072449 KDOZESHRZFAEHO-SOUVJXGZSA-N 268.397 3.583 30 20 CHED C=CCCOC(=O)[C@@H](Oc1ccccc1)c1ccccc1 729072732 WQMVLKBJJXDPBD-KRWDZBQOSA-N 282.339 3.926 30 20 CHED N#Cc1ccccc1COC(=O)c1cccc(C(F)F)c1 729191738 DTDJIMOGVZCMPT-UHFFFAOYSA-N 287.265 3.853 30 20 CHED CCc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)s1 731153111 AQJOQMBRFRSEEC-UHFFFAOYSA-N 289.360 3.973 30 20 CHED CCC/C=C/C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 731645021 DTDIVVPUZJNGGA-GBVBUYCNSA-N 296.292 3.743 30 20 CHED C#CCOc1ccccc1CNCc1cc(C)c(C)cc1C 734159677 VQOIJUZINQQENP-UHFFFAOYSA-N 293.410 3.914 30 20 CHED CCCCCCCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 735057197 DYEWWPZJIWTRHB-ZBFHGGJFSA-N 264.413 3.936 30 20 CHED C=C(Cl)CNC(=O)N1CC=C(c2ccc(C)cc2)CC1 736399109 SEDDJRAISGRKKA-UHFFFAOYSA-N 290.794 3.546 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc2c3c(cccc13)CC2 736954113 OXGNRSHBOCFRPD-UHFFFAOYSA-N 286.762 3.812 30 20 CHED CC(C)=CCC/C(C)=C\C=NNc1ccnc(N(C)C)n1 739411480 LZQJEDUPBBLIJE-YWMBOWFQSA-N 287.411 3.633 30 20 CHED Cc1ccccc1-c1cccc(C=NNCC(F)F)c1 740617594 BJLMXDFDGBVVND-UHFFFAOYSA-N 274.314 3.851 30 20 CHED C=CCN(C(=O)CCc1c[nH]c2c(C)cccc12)C(C)C 741532243 DRZULSLNJGOQJM-UHFFFAOYSA-N 284.403 3.832 30 20 CHED C#CCOc1ccc(C(=O)N(C)CCCCCC=C)cc1 741570883 YZNGKAWZEFCBJE-UHFFFAOYSA-N 285.387 3.517 30 20 CHED Cc1ncsc1/C=C/C(=O)c1ccc(F)c(F)c1 742432458 YQLBWAZSYPFWKK-SNAWJCMRSA-N 265.284 3.626 30 20 CHED Cc1ccc(NC(=S)N[C@H](C)c2cccc(C#N)c2)cc1 743059534 IPBHJIHZPZBJFK-CYBMUJFWSA-N 295.411 3.914 30 20 CHED CC#CCOC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 745351658 SUKJRVLRMLZBFS-QWHCGFSZSA-N 283.154 3.663 30 20 CHED Fc1cccc(C=NOCCCOc2ccccc2)c1 745581669 TVVWDDAXCJEXGJ-UHFFFAOYSA-N 273.307 3.645 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)C3C(C)(C)C3(C)C)[nH]c12 747125332 UGDLNQSPUIFPQD-NSHDSACASA-N 295.386 3.730 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(N)cc1 747642241 KWTRCHJWDFPRMA-UHFFFAOYSA-N 279.265 3.522 30 20 CHED C[C@H](OC(=O)C=C(C1CC1)C1CC1)c1ccc(C#N)cc1 748679947 MJDQSXLDSPWMBA-LBPRGKRZSA-N 281.355 3.909 30 20 CHED Cc1ccc(C2=NN/C(=N/C3CCCCC3)SC2)s1 749977203 OZMJPGBYRYKWFX-UHFFFAOYSA-N 293.461 3.786 30 20 CHED CCC1(C(=O)[C@H](C#N)c2ccc3ccccc3n2)CC1 750682692 KEBWIPKOMKEMHJ-CYBMUJFWSA-N 264.328 3.601 30 20 CHED C[C@@H]1CCC(=NNc2ccc(Cl)nn2)c2ccccc21 752718606 NLFPKIMTTAQHOZ-SNVBAGLBSA-N 286.766 3.844 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](C)c1csc2ccccc12 753123563 ADJXBFAIAKVRGV-VXGBXAGGSA-N 286.400 3.673 30 20 CHED CC(=O)CCCCCCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 754426873 MODYYLGOFUXRBQ-RHSMWYFYSA-N 292.423 3.505 30 20 CHED CCCCCCCCNC(=O)c1ccc(C(C)=O)cc1 755146220 GPPACQNAIGPHET-UHFFFAOYSA-N 275.392 3.980 30 20 CHED CCCCc1nc(C=NNc2cc(C)ccn2)c(Cl)[nH]1 755770663 NVFSBSXKCOTIKP-UHFFFAOYSA-N 291.786 3.555 30 20 CHED CCC1(C(=O)OCc2cccc(C#N)c2)CCCC1 757122705 HMDDQJRPWSLLAD-UHFFFAOYSA-N 257.333 3.572 30 20 CHED CC(=NNc1cc(C)ccc1F)c1ccc2c(c1)OCO2 759653728 VWTJRYTUBBMOEZ-UHFFFAOYSA-N 286.306 3.699 30 20 CHED Cn1cc(NN=Cc2ccc(-c3ccccc3)cc2)cn1 761860174 ICJPJRLMQPQHMD-UHFFFAOYSA-N 276.343 3.533 30 20 CHED COc1cc(F)ccc1NN=C/C=C/c1ccccc1 761890308 LFIAKYBDFLJOMJ-XQJBRBSMSA-N 270.307 3.945 30 20 CHED C#CCCc1noc(-c2cc3cc(F)ccc3s2)n1 762009043 MYHLVROKLOBEPG-UHFFFAOYSA-N 272.304 3.656 30 20 CHED C#CCCc1noc(CCCCCc2cccs2)n1 762010511 NILHYYCLYHLTCT-UHFFFAOYSA-N 274.389 3.652 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1ccc(C)c(C)c1 762204904 AQQYCKTWKYXKGS-UHFFFAOYSA-N 285.391 3.709 30 20 CHED C=C(C)CNC(=S)Nc1cnn([C@H](C)CC)c1C1CC1 762454348 YYICVLKJPJVMBL-LLVKDONJSA-N 292.452 3.594 30 20 CHED CC(=NNc1ncnc2ccsc12)c1cc(C)oc1C 764836152 VONJJNBHGMRMGO-UHFFFAOYSA-N 286.360 3.737 30 20 CHED C=CC[C@H](NC(=O)/C=C/C(=C/C)CC)c1ccncc1 765551297 GWVGVYWHPDXSCE-AFAOYCKQSA-N 270.376 3.728 30 20 CHED CC1(C)CCCN(Cn2cc(-c3ccccc3)cn2)[C@@H]1C#N 766114903 SBNPBEKKZKYBCD-QGZVFWFLSA-N 294.402 3.522 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F 767067048 GWKFCZCKUSDXDX-NSHDSACASA-N 297.320 3.932 30 20 CHED C#C[C@H](C)N(C)C(=O)c1sc(-c2ccccc2)cc1OC 767251817 ANNKJOXIHQOJDE-LBPRGKRZSA-N 299.395 3.517 30 20 CHED COCC(C)=NNc1c(Cl)cc(F)cc1Cl 767909616 LDVWGTCXBGBOPH-UHFFFAOYSA-N 265.115 3.567 30 20 CHED C[C@@H]1OCCC1=NNc1c(Cl)cc(F)cc1Cl 767910757 WUSCEKGTMZFMIY-LURJTMIESA-N 277.126 3.709 30 20 CHED CCCCCCCCN1CCS[C@H]2COCC[C@H]21 767912077 MKEYBLWGMDPWEF-CABCVRRESA-N 271.470 3.553 30 20 CHED CC/C=C\CCON=CC(=O)Nc1ccccc1Cl 768926605 NXIFOVJCZIJCLW-DINFGWAUSA-N 280.755 3.637 30 20 CHED CC[C@@H]1C[C@@H](C)CN1Cc1ccc(O[C@H](C)C#N)cc1 769448470 RVXHIEHDTZPGGX-IIAWOOMASA-N 272.392 3.598 30 20 CHED CCCCCCCN1CCC[C@@H](c2nccn2C)C1 770018499 LVRDSGUPHJEQJS-OAHLLOKOSA-N 263.429 3.570 30 20 CHED CCOc1ccccc1/C=C/C(=O)c1sccc1O 771744814 NMVIUKREWVXYIG-BQYQJAHWSA-N 274.341 3.749 30 20 CHED CC1(C)CCCC[C@H]1NN=Cc1ccc(Cl)nc1 773127023 XVWZMVXXVFSPRR-GFCCVEGCSA-N 265.788 3.627 30 20 CHED CCOc1cccc(/C=N/[C@@H](C)c2ccncc2CC)c1O 773146369 AAZWZDZBDXBGNK-DZUMZMOTSA-N 298.386 3.928 30 20 CHED C=C(CC)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 773495198 PXGRUXBXPQVAMH-LSDHHAIUSA-N 296.455 3.578 30 20 CHED CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1OC 774123088 MLVDBEQJCXEGHI-DZKIICNBSA-N 272.392 3.818 30 20 CHED Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(C)o1 775411228 USFHFDYIOFRQEF-SFHVURJKSA-N 280.371 3.935 30 20 CHED C#C[C@H](N[C@H](CC)c1ccc(Cl)s1)[C@@H]1CCCO1 775572975 VQFAWYCYNVNUCK-TUAOUCFPSA-N 283.824 3.623 30 20 CHED N#Cc1ccc(OC(=O)[C@@H]2CCc3c(Cl)cccc32)cc1 776074054 VSILSLMEYLRMJN-OAHLLOKOSA-N 297.741 3.847 30 20 CHED C=CC[C@@H](NC(=O)N1CCCC[C@@H](C)C1)c1ccncc1 776148430 DXPQHDXTRHRRQG-GDBMZVCRSA-N 287.407 3.530 30 20 CHED N#Cc1cccc(SCc2ccc3c(c2)COC3)c1 777933012 LYCGVTHNLYQQRQ-UHFFFAOYSA-N 267.353 3.881 30 20 CHED C#CCCCCCC(=O)Nc1cnc2ccccc2c1 779774030 XYQYPGZCHHFBBX-UHFFFAOYSA-N 266.344 3.757 30 20 CHED C#CCCCCCC(=O)N[C@H](CC)c1ccccc1 779806546 ZYMVADPMWGNNEF-MRXNPFEDSA-N 257.377 3.838 30 20 CHED Oc1ccc2ccccc2c1/C=N/C[C@H]1CCC=CO1 780150545 WSMMITYWHLFWPG-CRRKTRLDSA-N 267.328 3.657 30 20 CHED C#CC[C@@H](OC(=O)/C=C/c1ccccc1C#N)C(C)(C)C 781557027 JYSLNTJGMDCGDR-LPQFERQCSA-N 281.355 3.553 30 20 CHED C=C(Cl)CN1[C@@H](C)c2ccc(OC)cc2C[C@H]1C 782097358 JHCNRBHCQFLARB-NEPJUHHUSA-N 265.784 3.755 30 20 CHED COc1ccsc1/C=C\C(=O)c1ccnc(Cl)c1 782193174 FFIWMFLSFIKHAR-IHWYPQMZSA-N 279.748 3.701 30 20 CHED CC(=NN[C@H]1CCCC1(C)C)c1cnn(C(C)(C)C)c1C 782299682 IFSGQJSKGQXROL-HNNXBMFYSA-N 290.455 3.839 30 20 CHED C=C[C@H]1CCCCN1C(=S)Nc1ccc(OC)c(F)c1 782416717 AXHSYPWPTUSHMG-LBPRGKRZSA-N 294.395 3.572 30 20 CHED CC(C)c1cnc(COC(=O)c2ccc(C#N)s2)s1 783484153 CQUMZQUJJVGMKA-UHFFFAOYSA-N 292.385 3.557 30 20 CHED Cc1cc(COC(=O)[C@H](F)c2ccccc2)ccc1C#N 784752798 BQFNYNDPIDQHSI-MRXNPFEDSA-N 283.302 3.621 30 20 CHED CCc1cccc(CON=C(C)Cn2nc(C)cc2C)c1 786742925 NRCNYQAPCDMDJV-UHFFFAOYSA-N 285.391 3.655 30 20 CHED C=CCn1c(C)cc(C(=O)COC(=O)CCCCC)c1C 788600822 LUOZMWHKXQXYPM-UHFFFAOYSA-N 291.391 3.597 30 20 CHED CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(F)cc1 789074151 WROXDONFSRQEGR-UHFFFAOYSA-N 295.317 3.503 30 20 CHED C#C[C@H](C)NC(=O)Nc1cc(Cl)ccc1SC(C)C 789837912 GLAALXWKFOFZSH-JTQLQIEISA-N 296.823 3.984 30 20 CHED CC(C)(C)n1cc(/C=C2\CCCc3ccccc3C2=O)nn1 790212291 SWQAFXZRJNINTB-SDNWHVSQSA-N 295.386 3.636 30 20 CHED CC(=NNCc1cccc(Cl)c1Cl)c1cc(C)on1 790297639 BBOLKSUJEDJHPQ-UHFFFAOYSA-N 298.173 3.804 30 20 CHED C=C(C)[C@H](CC(=O)Oc1cc(F)c(F)cc1C)OCC 791422684 NXQMRXQLSITGIX-ZDUSSCGKSA-N 284.302 3.550 30 20 CHED C=C(C)CCOC(=O)Cc1cccc(Cl)c1OCC 791819485 YLYBZYLFTROURK-UHFFFAOYSA-N 282.767 3.791 30 20 CHED CC[C@H](C)CON=C1CCN(c2ccccc2OC)CC1 793157455 AOVYEWMYITXYST-AWEZNQCLSA-N 290.407 3.714 30 20 CHED CC[C@H](C)CON=C(C)c1ccc2c(c1)C(C)(C)C(=O)N2 793164116 SIYCMMNEPMMUKA-NSHDSACASA-N 288.391 3.703 30 20 CHED CC(C)n1nccc1C=NNc1ccccc1C(F)(F)F 794452703 AUAWMXUJZPKSKI-UHFFFAOYSA-N 296.296 3.929 30 20 CHED Cc1ccccc1-n1nccc1C=NOCc1ccccc1 794488511 JIFTYEHYOAFAJK-UHFFFAOYSA-N 291.354 3.731 30 20 CHED CC(C)[C@@H](C=NOC1CCOCC1)c1ccccc1 794534783 CYDXXTLEJFDZMS-MRXNPFEDSA-N 261.365 3.608 30 20 CHED CCc1cc(N=Cc2cccc(OC)c2O)ccc1F 794681020 QFHZTSQEOYHYBO-UHFFFAOYSA-N 273.307 3.853 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(C(=O)O)c(C)cc2C)o1 794940021 VJWRYSFZVAGCRL-WAYWQWQTSA-N 284.311 3.799 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1c(F)ccc(O)c1F)C2 794942048 GSJMJHJQTPQVIM-FLIBITNWSA-N 286.277 3.801 30 20 CHED CC(=NNc1cncnc1)c1cc(F)c(Cl)cc1Cl 794978302 KLBSJMNLBPPJCK-UHFFFAOYSA-N 299.136 3.759 30 20 CHED Fc1cccnc1NN=Cc1ccc(SC(F)F)cc1 794982782 BETRSHFSFHPSAV-UHFFFAOYSA-N 297.305 3.981 30 20 CHED C/C=C(/CC)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797570640 JCPNCVUSIBAGQB-YAEJEKNGSA-N 276.405 3.973 30 20 CHED C=C(Cl)CNC(=O)Nc1c(CC)cc(C)cc1CC 797684448 YUWMZZFTENKCOY-UHFFFAOYSA-N 280.799 3.994 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccc(F)c(Cl)c1 797888977 WSKAZBQNGWFNJU-UHFFFAOYSA-N 293.681 3.609 30 20 CHED COC(=O)c1ccc(NN=CCC2CCCCCC2)nc1 799112067 OVOOVPXXDNUOOH-UHFFFAOYSA-N 289.379 3.626 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cn(C(C)C)nc2C)c(O)c1 799896736 YGJGJQXWUWSYJC-VOTSOKGWSA-N 298.386 3.991 30 20 CHED CCn1nc(C)c(/C=C\C(=O)c2c(C)cc(C)cc2O)c1C 799896751 YKDQXHJFEVVUQW-FPLPWBNLSA-N 298.386 3.738 30 20 CHED CCCC[C@H](C)C(=O)OCc1ccc(CC#N)cc1 799980477 OJXWGAREDGBIOW-ZDUSSCGKSA-N 259.349 3.622 30 20 CHED C=CCCCCCCNC(=O)[C@H]1OCCc2ccccc21 805217980 OQIVPRLGDKYRMT-KRWDZBQOSA-N 287.403 3.553 30 20 CHED C=CCCCCCCNC(=O)CC[C@H]1CCCCO1 805218638 IENPZWQNSKDUOX-OAHLLOKOSA-N 267.413 3.588 30 20 CHED CCCC(CCc1ccccc1)=NN[C@@H]1CCSC1 807999208 HJGOCTNUSKBGBP-MRXNPFEDSA-N 276.449 3.870 30 20 CHED C#Cc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1 809583277 JXQOTRKKPPKJLD-SJORKVTESA-N 271.429 3.528 30 20 CHED C#Cc1ccc(CN[C@H](C)c2ccc(OC)cc2)cc1 809612204 WZOPTQRCONLRBZ-CQSZACIVSA-N 265.356 3.527 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCCCCCC1 809894529 DRYINEPSZLWLKI-UHFFFAOYSA-N 288.439 3.892 30 20 CHED N#C[C@H](OC(=O)C1(F)CCCCC1)C1CCCCC1 810712148 ZBZUXQGQFIFOOR-ZDUSSCGKSA-N 267.344 3.674 30 20 CHED C(=NNC[C@H]1CCSC1)c1cccc2ccccc12 811659029 RTYZAKXFJCTOFF-CYBMUJFWSA-N 270.401 3.516 30 20 CHED C#C[C@H](NC(=O)N1CCC[C@@H]1CC)c1ccc(Cl)cc1 811959714 VEFCBSAKLCNZNT-GJZGRUSLSA-N 290.794 3.598 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1ncc[nH]1 812232226 YFCZEYRXEPYKOP-UHFFFAOYSA-N 256.353 3.678 30 20 CHED COCc1cc(C=NNc2c(C)cccc2C(C)C)no1 812233011 PUMHJLGMFZUEQA-UHFFFAOYSA-N 287.363 3.699 30 20 CHED Cc1sccc1C=NNc1ncccc1C(F)(F)F 814801519 MFSLRHMLOXLSID-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CC(=NNc1cccc(F)c1)[C@H](C)CCCCC(=O)O 814815162 OYIVSMUUMSSJQN-LLVKDONJSA-N 280.343 3.895 30 20 CHED CCCC(=NNc1cc(F)cc(OC)c1)c1cccnc1 814872637 SQWNPLQOHCHJPC-UHFFFAOYSA-N 287.338 3.846 30 20 CHED CCCC(=NNc1cc(Cl)ccn1)c1ccccn1 814898102 KEHCCFLMRPLQFY-UHFFFAOYSA-N 274.755 3.746 30 20 CHED Fc1ccc(NN=Cc2ccsc2)c(F)c1F 814946532 QNUQLCQDXPXUNS-UHFFFAOYSA-N 256.252 3.611 30 20 CHED CCOc1ccc(NN=C(C)c2c(CC)noc2C)cc1 814985222 XQOLHLLPSPZLHK-UHFFFAOYSA-N 287.363 3.780 30 20 CHED C=CCC(F)(F)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 815099396 UPKBMMSHUFQWTB-ZDUSSCGKSA-N 279.330 3.808 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2ccc(F)cc2C)CC1 815577650 VXCFBWGZQAPENP-OAHLLOKOSA-N 290.426 3.825 30 20 CHED C=CCC(C)(C)CN[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C 815637210 QFRZIYVFCOHGAZ-KBPBESRZSA-N 298.471 3.870 30 20 CHED CC(Cc1ccc(F)cc1Cl)=NO[C@@H]1CCCCO1 817325742 GRUOGKYQXMHVSV-CQSZACIVSA-N 285.746 3.941 30 20 CHED C#Cc1ccc(C(=O)N(CCCC)[C@H]2CCC[C@H](C)C2)cn1 818803388 USDCUPGUNUMZTG-YJBOKZPZSA-N 298.430 3.884 30 20 CHED CC(CCc1ccccc1F)=NN[C@H](C)c1ccncc1 819815685 UDQHQLLTBPRION-CQSZACIVSA-N 285.366 3.880 30 20 CHED C#C[C@@H](CCC)NC(=O)N(C)[C@@H]1CCCc2ccccc21 820629419 CHUUEFWLNSUBHT-DOTOQJQBSA-N 284.403 3.507 30 20 CHED CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@](C)(C#N)C1 821868005 NISICNHMLYBNLU-PKOBYXMFSA-N 298.430 3.716 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(SC(F)F)c1 823040950 GEWKZNVALFGCBT-NEPJUHHUSA-N 299.342 3.531 30 20 CHED CN(C(=O)C#Cc1cccs1)[C@H]1CCCc2ccccc21 824516651 NANMPBLTRRKIEV-KRWDZBQOSA-N 295.407 3.636 30 20 CHED COc1cccc2cc([C@H](C)NCC3(C#N)CCC3)oc12 828812363 YNVRHGLDVWIPRU-LBPRGKRZSA-N 284.359 3.786 30 20 CHED CC(C)C[C@H](C)OC(=O)Oc1cccc(F)c1C#N 830951462 TVNZNYGLTDGNBN-JTQLQIEISA-N 265.284 3.647 30 20 CHED Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C#CC(C)C 834555896 MOLURKMINPUELW-CQSZACIVSA-N 297.320 3.764 30 20 CHED C[C@H]1CC[C@@H](C)CC1=NNc1nccnc1C1CCC1 834979813 OHTLVNNZQVUCSV-NEPJUHHUSA-N 272.396 3.968 30 20 CHED CCOC(=O)C(C)(C)ON=C(C)c1coc2ccccc12 835005106 OLNANPJVXZVSRK-UHFFFAOYSA-N 289.331 3.515 30 20 CHED C#CCCCCCCOC(=O)C[C@H]1CCC[C@H](OC)C1 835714625 MHIRHXVHGAMCMN-HOTGVXAUSA-N 280.408 3.709 30 20 CHED C#C[C@@H](CCC)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 836783885 BZKFDCUOVJKJGE-FZMZJTMJSA-N 297.320 3.884 30 20 CHED C=CCC1(C(=O)OCc2ncc(C)s2)CCCC1 838279148 ICIJJGHZEIUSGU-UHFFFAOYSA-N 265.378 3.631 30 20 CHED CC#CCCCC(=O)O[C@H](CC)c1ccnc(Cl)c1 838914395 FVHIIIVKJWKKPP-CYBMUJFWSA-N 279.767 3.923 30 20 CHED C#CCC[C@@H](C)OC(=O)[C@@H](CC)c1ccc(OC)cc1 839038051 BCMLTBVWMCGSGR-CJNGLKHVSA-N 274.360 3.534 30 20 CHED C[C@H](CC(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1 839053488 SSJXCDFCWRIHHF-DVOMOZLQSA-N 289.350 3.945 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cnc3c(F)cccc3c2)C1 839061939 JCFCSYBIBUTZAL-SMDDNHRTSA-N 298.317 3.613 30 20 CHED Cc1ccc(COC(=O)[C@@]2(C#N)CC23CCCC3)cc1F 839324376 FSDAWNXOTPZVOZ-KRWDZBQOSA-N 287.334 3.651 30 20 CHED CCc1cccc(C(=O)OCCC2(C#N)CCCCC2)n1 840580670 IKZWIMCAFLCCSI-UHFFFAOYSA-N 286.375 3.665 30 20 CHED Oc1nc2ccccc2cc1/C=N/CCC1CC(F)(F)C1 840711100 VDEIESXRQPRANC-VXLYETTFSA-N 290.313 3.795 30 20 CHED Fc1ccccc1CCNN=C1CCC(F)(F)CC1 842528737 KYYVXYGYCJOGHT-UHFFFAOYSA-N 270.298 3.523 30 20 CHED N#C[C@@H](C(=O)[C@@H]1CC=CCC1)c1nc(C2CC2)cs1 842939509 VMPMTZRKPNASCR-NEPJUHHUSA-N 272.373 3.553 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C/c1cc(C)nn1C)CC2 843271962 GOKFCXUUNMBJQF-UKTHLTGXSA-N 298.411 3.663 30 20 CHED COCC(CC(C)(C)C)=NNc1nccnc1C1CCC1 844596876 PSQGNKNHUJJDGU-UHFFFAOYSA-N 290.411 3.595 30 20 CHED C#CCCCCC(=O)N(C)[C@H](C)CSc1ccccc1 844683127 RIXYADWQWSJCKF-OAHLLOKOSA-N 289.444 3.819 30 20 CHED N#CC1(OC(=O)c2coc3ccc(Cl)cc23)CCC1 845487068 QXZGPJJTPFWDGO-UHFFFAOYSA-N 275.691 3.689 30 20 CHED Cc1ccc(F)c(C(=O)O[C@H](C)CC(C)(C)C#N)c1F 851208000 LVFMZNBOFOYDEL-SNVBAGLBSA-N 281.302 3.758 30 20 CHED Fc1ccc2ccc(C=NOCC3CCC3)nc2c1F 853440602 FKUDQWSOHYISDN-UHFFFAOYSA-N 276.286 3.664 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)c2cc(C#N)ccc2F)C1 854894659 UQJMJHYKRWOHDG-CYBMUJFWSA-N 288.366 3.596 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNCC(F)(F)C(F)(F)F)o1 863179321 GXGOEELNUQJZFH-VXNVDRBHSA-N 296.239 3.524 30 20 CHED C=CCC1(c2nc(Cc3ccc(Cl)nc3)no2)CCC1 867164449 WSBOECJKKFZXSU-UHFFFAOYSA-N 289.766 3.707 30 20 CHED CC(=NNc1cc(Cl)ccc1F)C1CCN(C)CC1 872418362 MKXCNJPGMGTROB-UHFFFAOYSA-N 283.778 3.609 30 20 CHED CCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CCCC1 877969204 XTKBBDORHLFQTI-LJQANCHMSA-N 298.430 3.692 30 20 CHED Cc1ncc(N[C@@H]2CC[C@@H](C#N)C2)c(C)c1Br 896665559 IYQRBBRHUSIDCS-GHMZBOCLSA-N 294.196 3.565 30 20 CHED C=C1CC(c2noc(-c3ccc(C)nc3C3CC3)n2)C1 896876726 LBTZPELFNFWJQE-UHFFFAOYSA-N 267.332 3.751 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)c(O)c1 899363035 BJCASMMZWSLUSG-SOFGYWHQSA-N 282.343 3.518 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2cccc3c2OCC3)co1 899372453 UYZPFRPUXKICMO-VOTSOKGWSA-N 283.327 3.629 30 20 CHED C[C@@H](NCC1(C#N)CCC1)c1ccc2ccccc2c1O 903033465 UUCDJXYJJKNYTE-CYBMUJFWSA-N 280.371 3.890 30 20 CHED Cc1ccccc1C[C@H](NCC1(C#N)CCC1)C1CC1 903035569 RKQXCWKOVMVLHT-KRWDZBQOSA-N 268.404 3.600 30 20 CHED COc1c(C)cc([C@H](C)NCC(C)(C)C#N)cc1Cl 903102368 XCOVUQUYMLJPAX-NSHDSACASA-N 280.799 3.857 30 20 CHED CCCCCCCC(=O)Nc1nccnc1C1CC1 906413508 WKJFGNYKKVHEDK-UHFFFAOYSA-N 261.369 3.653 30 20 CHED Cc1cc(C)nc(C(=O)OCCCCC2(C#N)CCC2)c1 909289998 JETGGOFRCVEZLS-UHFFFAOYSA-N 286.375 3.719 30 20 CHED CC(=NNc1ncccc1C(F)(F)F)c1cccs1 915051009 JKVRJEKMJDNQJV-UHFFFAOYSA-N 285.294 3.998 30 20 CHED O=[N+]([O-])c1ccc(NN=C2CSCc3ccccc32)cc1 915933032 JAPOLTDQAVMCPT-UHFFFAOYSA-N 299.355 3.658 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNCc2ccc(F)c(F)c2)o1 915976574 MUTDEYRSRZJMCG-ZWNOBZJWSA-N 290.313 3.805 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] 916250748 JRBAQSCAWJXCJJ-UHFFFAOYSA-N 291.257 3.709 30 20 CHED Cc1cc(C=NNc2ncccc2Cl)c(C)n1C1CC1 917546181 GQZIJONDYKZLLS-UHFFFAOYSA-N 288.782 3.934 30 20 CHED N#C[C@H]1CC[C@@H](SCc2cccc(F)c2F)C1 918861873 ROHOFILQUDSPLB-GXSJLCMTSA-N 253.317 3.890 30 20 CHED CCCCCCCC(=O)O[C@@H](C)C(=O)N1CCC(C)CC1 919222246 RAGGZIJIULXUSJ-HNNXBMFYSA-N 297.439 3.537 30 20 CHED C=CCN(C(=O)N[C@@H]1CCc2c(Cl)cccc21)C(C)C 919921809 USTAHKDFYVUKIP-OAHLLOKOSA-N 292.810 3.933 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NN[C@H](C)c2ccccc2)o1 920383254 UTZFVOPVRGVZFU-CYBMUJFWSA-N 294.358 3.663 30 20 CHED C=CCCOCC(=O)O[C@@H](C)c1c(C)cc(C)cc1C 920791511 OYBFBGILQOCKAY-HNNXBMFYSA-N 276.376 3.809 30 20 CHED Oc1nc2ccccc2cc1/C=N\C[C@H]1CC=CCC1 920990803 DOKSFQZMEFEFEM-CYUIRQCWSA-N 266.344 3.716 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(C)C1CCC(C)CC1 929459592 WXFMQFRRKBKYNG-UHFFFAOYSA-N 270.376 3.517 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H]1C(C)(C)C 931991192 VANIAYJQJGQLGP-OAHLLOKOSA-N 270.376 3.517 30 20 CHED C#CCOc1cc(F)ccc1NCc1cccn1C1CC1 1119283137 OUESNZRDSDXKGB-UHFFFAOYSA-N 284.334 3.586 30 20 CHED C#C[C@](C)(CC)NC(=O)Nc1ccccc1C(F)F 1119323982 MYASMQLIGXQOHY-CQSZACIVSA-N 266.291 3.548 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccnc2ccccc12 1121176627 SFPGIOKHUZWXNT-CQSZACIVSA-N 280.371 3.806 30 20 CHED C=C(CC)C(=O)N1CC[C@H](CSc2ccccc2)C1 1123721748 SBFSIIDVAHRRBN-AWEZNQCLSA-N 275.417 3.593 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2ccsc2C#N)[C@@H]1C 1127767099 OFGIKFOLCLFTOI-CKYFFXLPSA-N 263.362 3.601 30 20 CHED CCc1nc(C#N)cc(N2CCC[C@H](C3CCCCC3)C2)n1 1163796269 IAJWELYXOOIOIG-HNNXBMFYSA-N 298.434 3.707 30 20 CHED C=Cc1ccccc1NC(=O)NCc1cc(C#N)ccc1F 1219813131 QPCQSMIZUWNVEZ-UHFFFAOYSA-N 295.317 3.662 30 20 CHED C=C(CNC(=O)N[C@H](CC)C1CCCC1)c1ccccc1 1228274955 BPQVKNBBMWCOLO-QGZVFWFLSA-N 286.419 3.968 30 20 CHED N#Cc1cc(NC(=O)[C@H]2CCc3cc(F)ccc32)ccc1F 1264923387 BUKJVKZODNUTRO-HNNXBMFYSA-N 298.292 3.505 30 20 CHED CCCC[C@@H](C(=O)Nc1ccc(OC)c(C#N)c1)C(C)C 1288071864 VPERAXJGNPLKMJ-OAHLLOKOSA-N 288.391 3.968 30 20 CHED C#Cc1ccc(C(=O)NC[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cn1 1318281019 UNMLBVOPFDCAJD-QILLFSRXSA-N 298.430 3.501 30 20 CHED C#C[C@H](Nc1c(C#N)cccc1C#N)c1ccc(Cl)cc1 1324236308 NKUFXIXHLUDKSQ-INIZCTEOSA-N 291.741 3.870 30 20 CHED N#CC1(CC(=O)OCc2ccc(F)cc2F)CCCCC1 1327239307 UTSTYONZGIAONX-UHFFFAOYSA-N 293.313 3.872 30 20 CHED C=CCC(F)(F)c1nnc([C@H](C)CN2CCC(C)CC2)o1 1327845618 DHDDVWPPNDZISS-GFCCVEGCSA-N 299.365 3.573 30 20 CHED CC[C@H](Nc1ccc(C#N)cn1)c1ccc(F)cc1 1330551741 XKKQPCHXZDMWOG-AWEZNQCLSA-N 255.296 3.656 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C12CCC(CC1)CC2 1338961938 YJJLEHBTERQDKT-IUNXBHMESA-N 294.398 3.632 30 20 CHED Cc1cc(C)cc(N(C)c2nnc([C@@H](C)CCC#N)n2C)c1 1340075533 ZLCWSQTWSJWNIA-AWEZNQCLSA-N 297.406 3.607 30 20 CHED C=C[C@@H](C)NC(=O)Nc1c(C)cc(Cl)cc1C 1341097225 BZTRMXHPIDIHKI-SNVBAGLBSA-N 252.745 3.653 30 20 CHED C=CCC(CC=C)C(=O)OCc1ncoc1C(C)C 1341632330 UARREXXJRKJAOG-UHFFFAOYSA-N 263.337 3.610 30 20 CHED N#C[C@H](C(=O)CC1CCCCCC1)c1cccc(F)n1 1347121825 DTKVGDBMJGIDTQ-ZDUSSCGKSA-N 274.339 3.757 30 20 CHED N#CCc1cccc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)c1 1436285678 WZIUVYLMUGCGRF-GJZGRUSLSA-N 282.387 3.908 30 20 CHED Cc1cc(=NC(CC(C)C)CC(C)C)c(C#N)c[nH]1 1458162585 QBSZXQCQPKVQSS-UHFFFAOYSA-N 259.397 3.556 30 20 CHED CC[C@H]1CCN(Cc2ccc(Cl)cc2C#N)[C@@H]1C 1473403162 RPUBWFFGTXJCEQ-NEPJUHHUSA-N 262.784 3.832 30 20 CHED C=C(CC(C)C)C(=O)N(C)Cc1cc2ccccc2o1 1527931811 ONIDIBUYLOBYQH-UHFFFAOYSA-N 271.360 3.994 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@]1(C)CCCC[C@@H]1C 1528074802 SKAMHTJSVVRSHE-GUYCJALGSA-N 270.376 3.565 30 20 CHED N#C[C@H](CCc1ccccc1)C(=O)N[C@@H]1CC12CCCCC2 1546276744 LXEKHMKGTHRBCA-DLBZAZTESA-N 296.414 3.598 30 20 CHED CCc1nc(C#N)cc(N[C@@H]2CCC[C@@H]2C(C)(C)C)n1 1559209677 JYLSGJLLSDXSKA-QWHCGFSZSA-N 272.396 3.537 30 20 CHED C[C@H](CCC#N)N[C@H](C)c1cc(Cl)ccc1F 1559681520 JPGQHMBHJNXKHL-NXEZZACHSA-N 254.736 3.822 30 20 CHED C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)[C@H](C)[C@H]1C 1559922797 OCCYCMLBSYBNMH-GRYCIOLGSA-N 262.784 3.688 30 20 CHED N#CCC1(COc2cccc3cc(C(=O)O)ccc23)CC1 1601063233 TUIIWDMCHUVISS-UHFFFAOYSA-N 281.311 3.611 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccc(C(=O)O)o1 1607498791 OIUBINBGOBYVAF-VURMDHGXSA-N 295.294 3.664 30 20 CHED Cc1csc2ncnc(N(C)Cc3cccc(C#N)c3)c12 1639249555 OGWDOENRYPULIV-UHFFFAOYSA-N 294.383 3.508 30 20 CHED C[C@@H]1CCC[C@@H](Cn2c(C(F)(F)F)ccc(C#N)c2=O)C1 1641371664 MDFRIRHZBQNYTL-GHMZBOCLSA-N 298.308 3.565 30 20 CHED Cc1nnc(N[C@@H]2CCC(C)(C)C[C@H]2C)c(C#N)c1C 1642369797 CPPGDKCLDWEIQL-QMTHXVAHSA-N 272.396 3.592 30 20 CHED CCC[C@@H](Nc1cc(C#N)nc(C)n1)c1ccccc1 1651312844 DEIBPUYVLQTBNF-OAHLLOKOSA-N 266.348 3.610 30 20 CHED CCN(C/C=C/c1cc(C)c(C)cc1C)CCC#N 1652100511 IYVGJYSHAJGGTN-SOFGYWHQSA-N 256.393 3.861 30 20 CHED CCc1nc(C#N)cc(NCC(C)(C)c2ccc(C)cc2)n1 1655101149 JGVTXUDHQKCVAB-UHFFFAOYSA-N 294.402 3.609 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C#N)cc1 1657570947 NFMDAKHTFIAGRH-LSDHHAIUSA-N 285.391 3.895 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)Nc1sccc1C#N 1672812190 BLWSNBMOMFGJEH-CMPLNLGQSA-N 277.393 3.568 30 20 CHED C=C(Cl)CNC(=O)NCC(C)(C)c1ccc(CC)cc1 1679675429 COKMLNAFUPVFMI-UHFFFAOYSA-N 294.826 3.578 30 20 CHED CC[C@@H](NN=C1CCCCC[C@@H]1c1ccccc1)C(=O)O 1776066852 HQKGVYGDXMGRMF-HUUCEWRRSA-N 288.391 3.543 30 20 CHED Cc1c(NN=C2CCC[C@H](C)[C@@H]2C)cccc1C(=O)O 1776087522 HVURRSONEFGSGN-QWRGUYRKSA-N 274.364 3.917 30 20 CHED C=C(C)CN(CC)S(=O)(=O)c1ccc(C(C)(C)C)cc1 58704612 OJHWOZKESJUJFA-UHFFFAOYSA-N 295.448 3.571 30 20 CHED N#CCCCSCc1ccc(Br)cc1 58263045 SKWQPKWLKLIUMO-UHFFFAOYSA-N 270.195 3.986 30 20 CHED Cc1ccc(CNCc2ccc(C#N)cc2F)c(C)c1 105642926 QXUBBSKXKNASBT-UHFFFAOYSA-N 268.335 3.604 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 175616183 CLWWWOJRLMMRTM-LBPRGKRZSA-N 291.354 3.539 30 20 CHED C=C(C)CNC(=S)N(Cc1ccccc1)[C@H](C)C1CC1 57435217 KNLRJEWWQYFHAQ-CQSZACIVSA-N 288.460 3.738 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2ccc(F)cc2F)s1 176404230 ROADZVSYHQLSEL-GQCTYLIASA-N 275.279 3.794 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1oc(C)cc1C 175519242 OCNHHZRUVBIQGV-UHFFFAOYSA-N 269.344 3.725 30 20 CHED CCO[C@H]1C[C@@H](N(C)CCCCC#N)C1(CC)CC 177404750 PIVGGGXDDPOBTM-CABCVRRESA-N 266.429 3.596 30 20 CHED C=CCNC(=O)N[C@@H](Cc1ccccc1)c1cccs1 116932797 OKFHWWMLMIKMKE-AWEZNQCLSA-N 286.400 3.517 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1cccc(C)c1 179804832 HWHFGZUHCUGMSM-KRWDZBQOSA-N 269.388 3.852 30 20 CHED N#C[C@@H](C(=O)c1cc2ccc(F)cc2s1)c1ccccn1 107793865 PDBNAMJXHHXUNX-GFCCVEGCSA-N 296.326 3.925 30 20 CHED C[C@H](NCCCCC#N)c1ccccc1OC(F)(F)F 178641501 BKBCIBQTPHWPOZ-NSHDSACASA-N 286.297 3.930 30 20 CHED C=CCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 464817612 HGITVTYIEHAZFZ-SJORKVTESA-N 254.377 3.724 30 20 CHED N#Cc1c(Cl)nsc1NCc1cc(F)ccc1F 301216862 YZIUHZKVXUHLCI-UHFFFAOYSA-N 285.706 3.558 30 20 CHED Cc1csc(C2(NCc3cccc(C#N)c3)CCCC2)n1 112711088 JJEIHIUSGWCNGY-UHFFFAOYSA-N 297.427 3.882 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](Cc1ccccc1)C1CC1 188433528 LGUNASNBDLUXBX-FUHWJXTLSA-N 271.404 3.726 30 20 CHED N#Cc1ccc(NCCCc2cccc(Cl)c2)nc1 301071048 FGXKYIDPXSFBQX-UHFFFAOYSA-N 271.751 3.651 30 20 CHED C[C@H](CC#N)NC(=O)c1ccccc1Sc1ccccc1 173329138 BFOPQACUZDPUOV-CYBMUJFWSA-N 296.395 3.870 30 20 CHED C[C@@H](Cc1cccs1)Nc1ccc(F)cc1C#N 111026909 QSARYEKLGMIQGG-JTQLQIEISA-N 260.337 3.802 30 20 CHED CCc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 26135163 HCVDIIHURDFMSE-CYBMUJFWSA-N 278.355 3.612 30 20 CHED C[C@H](Nc1nnc(C(C)(C)C)s1)c1cccc(C#N)c1 301740626 DPUOVYZRFUCMHY-JTQLQIEISA-N 286.404 3.880 30 20 CHED Cc1nc2ccccc2nc1CN(CCC#N)CCC(C)C 173546584 AWXUFEUFHCJTJK-UHFFFAOYSA-N 296.418 3.700 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(OCC)cc1F 417472021 IAHADTUXLNOEMR-UHFFFAOYSA-N 280.343 3.558 30 20 CHED CC(=O)Nc1cccc(N[C@@H](C#N)C2CCCCC2)c1C 115606013 DUGOSDWEARDRKR-KRWDZBQOSA-N 285.391 3.838 30 20 CHED C=CCCc1ccccc1NC(=O)C(C)(C)OC(C)C 410825108 NSGMPCDVKIMBMY-UHFFFAOYSA-N 275.392 3.947 30 20 CHED Cc1nc(COc2ccc(C#N)c(C)c2)c(C)s1 434650765 QULQAVICGNCSIY-UHFFFAOYSA-N 258.346 3.519 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2cccnc2Cl)cc1 171349329 GVDSLJPNVCRWCM-BQYQJAHWSA-N 268.703 3.503 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H]1CCCc2ccc(C)cc21 179570563 OJKVVQKNPKWWOK-QGZVFWFLSA-N 284.403 3.756 30 20 CHED C=CCOc1ccc(C(=O)Nc2ccc(C)c(O)c2C)cc1 178785076 NCZXOGPAUGEQRZ-UHFFFAOYSA-N 297.354 3.826 30 20 CHED CCn1c(S[C@H](C)c2cccc(C#N)c2)nnc1C1CC1 189814542 GBSCOJZRHDJMID-LLVKDONJSA-N 298.415 3.900 30 20 CHED C=CCN1CCC(NC(=O)C[C@@H](C)CCCCCC)CC1 171715319 FBOBXYNOVGAPIP-INIZCTEOSA-N 294.483 3.750 30 20 CHED C=CCCCCCOc1c(F)cc(C=O)cc1F 236186913 KOROTSRWRVQGPD-UHFFFAOYSA-N 254.276 3.903 30 20 CHED CCCCOc1cc(CN(CC)CCC#N)ccc1OC 127626232 XJQAQQSPPIOYDJ-UHFFFAOYSA-N 290.407 3.610 30 20 CHED N#Cc1cccc(OCCCOCCc2ccccc2)c1 37138824 QCZQTKJKLQDDRW-UHFFFAOYSA-N 281.355 3.586 30 20 CHED C=CCN(CC=C)c1ncnc2c1oc1ccccc12 301055981 IJZAPSIMOZKTPS-UHFFFAOYSA-N 265.316 3.554 30 20 CHED C=CCCC[C@H](C)NC(=O)CSc1ccccc1 182658418 AYKDWLGVBAGEDE-ZDUSSCGKSA-N 263.406 3.640 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](c1ccccc1)C1CC1 78330084 LSPVMMLUOQGHJB-MRXNPFEDSA-N 270.376 3.521 30 20 CHED CSc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1F 186413613 GLUSDFPLAGPIKV-GORDUTHDSA-N 291.322 3.978 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1CCC[C@@H]1C 185939057 GVSXYIABRUUEBK-LSDHHAIUSA-N 264.413 3.601 30 20 CHED N#CCCCCSc1nnc(Cc2cccs2)o1 122601418 NWPVDNKCSQRNDJ-UHFFFAOYSA-N 279.390 3.508 30 20 CHED C[C@H](CCC#N)Sc1nnc(-c2ccccc2)o1 188217585 GDECYBDHAIVHPD-SNVBAGLBSA-N 259.334 3.521 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccc(OC)cc1)C(C)C 182249231 JZKQZXPBEMWAQU-INIZCTEOSA-N 290.407 3.610 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(C)c1cccc(C#N)c1 74513598 QDCUEFGYENEMCY-CYBMUJFWSA-N 270.376 3.737 30 20 CHED C=CCCN(C)C(=O)Nc1nc2c(s1)CC(C)(C)CC2 417656222 FZUSXKJATNWVLU-UHFFFAOYSA-N 293.436 3.698 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1=CCCCC1 412837145 HGBJGRJYGWVPSH-KRWDZBQOSA-N 269.388 3.790 30 20 CHED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CC=CC2)cc1 76996936 APDBNOBKWBSDSI-MRXNPFEDSA-N 282.387 3.631 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)[C@]1(C#N)C[C@@H]1C 410452633 WOXYYEPZHFCHDY-XPTSAGLGSA-N 294.807 3.940 30 20 CHED Cc1ccc(-c2nnc([C@@H](C)SCCC#N)o2)cc1 413010823 HXNLYYORPAEFJH-LLVKDONJSA-N 273.361 3.753 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@]1(C)CC=CCC1 410593252 SFEYFFQKVRXJCJ-MRXNPFEDSA-N 254.333 3.552 30 20 CHED CC#CCCCC(=O)N(C)c1ccccc1SC 185979647 BKLRDPOJOMYXBO-UHFFFAOYSA-N 261.390 3.565 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC2(CCOCC2)CC1 286777775 RPIXNXHPYAXJNM-UHFFFAOYSA-N 290.794 3.609 30 20 CHED Cc1cccc2c(CCC(=O)O[C@H](C)C(C)(C)C#N)c[nH]c12 131631190 FKNYHCNVACBZHR-CYBMUJFWSA-N 298.386 3.890 30 20 CHED CC(C)(CCC#N)CNc1ccc(C#N)c(Cl)c1 229673787 HDRVLQOYJXRSHM-UHFFFAOYSA-N 261.756 3.954 30 20 CHED CCOc1ccccc1CN(C)Cc1ccc(C#N)c(F)c1 191951496 HAVCDARJUUSZSH-UHFFFAOYSA-N 298.361 3.728 30 20 CHED CCCNc1ccccc1NC(=O)c1cc(C#N)cs1 190145097 JZANDGMVADNWDO-UHFFFAOYSA-N 285.372 3.694 30 20 CHED COc1ccc(C#N)cc1CNc1ccc2ccn(C)c2c1 190603470 GKUMWRGJGNBEEL-UHFFFAOYSA-N 291.354 3.671 30 20 CHED CC[C@H]1C[C@@H](C(O)=Nc2cccc3ocnc23)CCO1 328850986 BRCIWHXOEXQGJG-QWRGUYRKSA-N 274.320 3.621 30 20 CHED CSc1n[nH]c(N=C(O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 328751997 CQSZADPLKGZMQB-GARJFASQSA-N 294.424 3.721 30 20 CHED Cc1ccc(/C=C2\COc3ccccc3C2=O)cc1C 48501943 SJFZQQBSSOEMSF-XNTDXEJSSA-N 264.324 3.962 30 20 CHED CCS[C@@H]1CCC[C@H]1Nc1ncc2c(c1C#N)CCC2 425236576 QICXEJIBEZFTKY-HUUCEWRRSA-N 287.432 3.528 30 20 CHED CO[C@H]1CCC[C@@H](C(O)=Nc2cnc3c(c2)CCCC3)C1 329012274 DXXOMQZVGIHBAC-HIFRSBDPSA-N 288.391 3.754 30 20 CHED C=C[C@@H](CC(=O)Nc1ccncc1C)c1ccccc1 131704646 ZYXYONBZULILPJ-AWEZNQCLSA-N 266.344 3.688 30 20 CHED CC(C)C[C@@H](NC(=O)N(C)C[C@@H](C)C#N)c1ccccc1 43716081 JSUSJIAKAIOJFK-GOEBONIOSA-N 287.407 3.575 30 20 CHED C=CCC(CC=C)C(=O)NC(C1CCC1)C1CCC1 519014081 UXAKDDIWGLLECE-UHFFFAOYSA-N 261.409 3.840 30 20 CHED O/C(Cc1ccoc1)=N/C[C@H]1CCO[C@@H]1c1ccccc1 328614760 WXFCUTZERPRCOG-NVXWUHKLSA-N 285.343 3.556 30 20 CHED CC(C)C[C@@H]1C[C@H]1NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 425560064 IHQNJWBPNAEKCD-IAOVAPTHSA-N 299.418 3.695 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1 132565927 IJOAYSQMTXASIU-CMDGGOBGSA-N 256.301 3.631 30 20 CHED N#Cc1ccc(OC/C(Cl)=C\Cl)cc1Cl 220982581 WNODKJFPPCQBQH-XBXARRHUSA-N 262.523 3.909 30 20 CHED Cc1nc(CC/N=C(/O)C[C@@H]2C=CCCC2)c(C)o1 330296850 GOMUJBKUBURBMV-CYBMUJFWSA-N 262.353 3.537 30 20 CHED C=CC[C@H](C)[C@H](C)NCCc1cc(C(F)(F)F)ccn1 516168931 PCMBJWJWQCJHDL-RYUDHWBXSA-N 286.341 3.833 30 20 CHED Cc1nc(N(C)[C@@H](C)c2cccnc2)c(Cl)cc1C#N 292387424 DLUKAAJBGJYZEE-NSHDSACASA-N 286.766 3.508 30 20 CHED N#Cc1ccc(CN2CC[C@H](C3CCCC3)C2)s1 421381729 AZKMKHNOGZVSPK-ZDUSSCGKSA-N 260.406 3.632 30 20 CHED N#C[C@]1(C(=O)N2CCCc3c(F)cccc32)CC12CCCC2 517883254 MJNIREHXBAPHDP-SFHVURJKSA-N 298.361 3.579 30 20 CHED CCCCCCCCCN(C)Cc1csnn1 179543024 TYPGRBMBXADQMR-UHFFFAOYSA-N 255.431 3.721 30 20 CHED N#Cc1c(F)cccc1NC[C@@H](c1ccco1)N1CCCC1 198223524 POZZSRHZGDLZFL-INIZCTEOSA-N 299.349 3.539 30 20 CHED Cc1nn(Cc2csc(C3CCCCC3)n2)cc1C#N 332094545 BIQRVFGREGYNRL-UHFFFAOYSA-N 286.404 3.616 30 20 CHED CCOc1ccc(OC)cc1N/C(O)=N/[C@@H]1CC[C@@H](C)C1 331303345 STVAJCZGMCHANW-VXGBXAGGSA-N 292.379 3.608 30 20 CHED Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)ncc1C#N 332228321 NGKCVJFKSXGKIQ-HNNXBMFYSA-N 299.418 3.550 30 20 CHED CCN(Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)C#N 91984298 OHVXPBPQOFEQHN-JTQLQIEISA-N 288.288 3.826 30 20 CHED N#Cc1ccc2c(c1)N(C(=O)CCC1CCCCC1)CC2 339832699 YHXCZJDVKYKFKR-UHFFFAOYSA-N 282.387 3.808 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1 436381943 BKKNTBIRSMWMCR-VNQPRFMTSA-N 285.391 3.519 30 20 CHED N#CC1(N(C(=O)c2ccc3c(c2)CCC=C3)C2CC2)CCC1 335992687 YAWZDAVNLICEBG-UHFFFAOYSA-N 292.382 3.697 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)n(C2CC2)c1C 343762616 FQVXFBGYWVAZOT-ZDUSSCGKSA-N 260.381 3.524 30 20 CHED COCc1ccc(N[C@@H]2CC=C(C)CC2)cc1C#N 529641019 ANZYXERRBLWYGP-OAHLLOKOSA-N 256.349 3.615 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H](C)c2cccc(F)c2)C1 246883514 WPPPNVWKLMAYIA-PBFPGSCMSA-N 288.366 3.518 30 20 CHED Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccccc1)C(C)C 436072083 ZOCUPTLYRHUAIQ-QGZVFWFLSA-N 296.370 3.629 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1nccc2ccccc12 432562719 NLOYIEPDQKEAHN-UHFFFAOYSA-N 297.402 3.636 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccn1 346954470 RKNDIOIBVGTODF-UHFFFAOYSA-N 281.359 3.692 30 20 CHED CC[C@@H](NC(=O)Nc1ccc(F)cc1C#N)C(C)(C)C 435174017 QPJQOMHUWBRXQC-CYBMUJFWSA-N 277.343 3.644 30 20 CHED Cc1ccc(C#N)c(N2C[C@@H](c3ccccc3)C[C@H]2C)n1 245724610 IFHOYRFJFZKCLX-PBHICJAKSA-N 277.371 3.644 30 20 CHED CC[C@H](C)[C@H]1CCCCN1CCCSCC#N 342156642 CFNRMAAQSYPGSA-UONOGXRCSA-N 254.443 3.534 30 20 CHED C=CCC[C@H](NCc1cccc(OCC)c1)C1CC1 439095069 UNTKGDVNFLYTTB-KRWDZBQOSA-N 259.393 3.920 30 20 CHED C[C@H](CCC#N)CN[C@H](C)c1ccc(F)cc1F 602500613 BXBRDLDOGMWFKE-GHMZBOCLSA-N 252.308 3.555 30 20 CHED CCO[C@H](CCN[C@@H]1CCC[C@@H](C#N)C1)C1CCCC1 248839632 NNOMOHCHVKPLLL-DJIMGWMZSA-N 278.440 3.644 30 20 CHED C=CCOc1cccc(NC(=O)N2C[C@@H](C)C[C@@H]2C)c1 607202487 YQSSJTYOPKXLPM-STQMWFEESA-N 274.364 3.514 30 20 CHED CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)[C@@H]1CCC#N 603924035 WSMBTAJOIUPINC-SNVBAGLBSA-N 296.157 3.636 30 20 CHED CC(C)(CCC#N)CNCCCCOc1ccccc1 343156937 YIUMNQGRGJQRFK-UHFFFAOYSA-N 274.408 3.765 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\Cc1ccccn1 255026572 VHRIFBPCNXGLAV-APSNUPSMSA-N 281.142 3.713 30 20 CHED C[C@@H]1CCN(Cc2ccccc2C#N)[C@H]2CCCC[C@@H]21 603847442 UZTPQHRANPIHBM-OLMNPRSZSA-N 268.404 3.959 30 20 CHED N#CCC[C@H](C#N)CN1CC2(CCC2)c2c(F)cccc21 343728947 JUVRBDROTKUAQR-CYBMUJFWSA-N 283.350 3.511 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 527783740 RZABVOIAFJEAMI-BYCMXARLSA-N 275.417 3.555 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(SC2CC2)cc1 341332484 VGEAMUXXBFJWLZ-UHFFFAOYSA-N 261.390 3.589 30 20 CHED N#CCCCN[C@H]1CCc2c(Cl)cc(Cl)cc21 342726787 IXGFXWZJJNBZFV-ZDUSSCGKSA-N 269.175 3.874 30 20 CHED C=CC1CCN(C(=O)NCc2cccc3ccccc23)CC1 600862196 SJIFZODWUOADAG-UHFFFAOYSA-N 294.398 3.947 30 20 CHED CCOc1ccc(C[C@@H](C)CNC[C@@H](C)CCC#N)cc1 602686734 HHIOJYBZYPHDDB-JKSUJKDBSA-N 288.435 3.793 30 20 CHED C[C@H](C#N)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 609920731 FCCPRMWOWKRHOI-ZIAGYGMSSA-N 294.354 3.816 30 20 CHED CCc1csc([C@@H](C)Nc2cccc(F)c2C#N)n1 601182400 UFQTYFGAKXGPFE-SECBINFHSA-N 275.352 3.889 30 20 CHED C=CCCN(C)C(=O)c1cccc(-c2ccccn2)c1C 344290926 NKXCQRAVZOTPMA-UHFFFAOYSA-N 280.371 3.705 30 20 CHED CCC[C@](C)(O)CNc1ccc(C#N)cc1C(F)(F)F 609963744 KVADHWRKFWPMCS-ZDUSSCGKSA-N 286.297 3.540 30 20 CHED CCCC[C@H](CC)CC(=O)Nc1cc(C)nn1CCC#N 609754936 QGKDLIQQEWNEPV-AWEZNQCLSA-N 290.411 3.650 30 20 CHED CC1(C)CCCN(Cc2cc(-c3ccccc3)no2)[C@@H]1C#N 444731343 OQOWJFCAYNVKPW-QGZVFWFLSA-N 295.386 3.856 30 20 CHED Cc1cc(/C=C\C(=O)C2CCCCC2)ccc1-n1cncn1 255669735 FKAKQOJJPHOFEC-NTMALXAHSA-N 295.386 3.738 30 20 CHED C=CC[C@@H]1N(C(=O)CC2CCC(=O)CC2)CCCC1(C)C 443857375 ITICRNBNPGUHQK-INIZCTEOSA-N 291.435 3.729 30 20 CHED COc1cc(CN2CCCC23CCCCC3)ccc1C#N 442883982 IWLKZXZOEPNQHG-UHFFFAOYSA-N 284.403 3.866 30 20 CHED C[C@@H](CC#N)N[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 602870703 VSIBBLQVXRSWIE-QWRGUYRKSA-N 289.766 3.948 30 20 CHED C=C(CC)CSc1n[nH]c(Cc2cccs2)n1 539112323 UEHLSCPKPPYNOH-UHFFFAOYSA-N 265.407 3.515 30 20 CHED N#Cc1ccc(CCC(=O)N(C2CCCCC2)C2CC2)cc1 603526278 FTCRABHVSFFXOQ-UHFFFAOYSA-N 296.414 3.815 30 20 CHED C[C@@H](C#N)CNCc1ccc(F)c(-c2cccs2)c1 54181665 BIHABRXTJQOCIL-NSHDSACASA-N 274.364 3.803 30 20 CHED C=C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 267448438 LJQKUFJBIKEEBU-UHFFFAOYSA-N 273.376 3.656 30 20 CHED Cc1cc(Cl)cc(CN(CCC#N)CC2CC2)c1 351400120 RTIUMBVQLBAXKS-UHFFFAOYSA-N 262.784 3.774 30 20 CHED N#CC[C@@H](CC(=O)N1Cc2ccccc2C1)c1ccccc1 355681543 YMJIXMUXLRVKCQ-INIZCTEOSA-N 290.366 3.616 30 20 CHED C=CC[C@@H](C(=O)N[C@H](CC)C1CC1)c1ccccc1 618868110 KPIJFFZQSLHABN-HZPDHXFCSA-N 257.377 3.651 30 20 CHED C=C(CC)CSc1nnc(-c2cccs2)o1 539116484 GVYVBHGRDSVQFM-UHFFFAOYSA-N 252.364 3.856 30 20 CHED CC[C@@H](C)n1ncc(NCc2ccc(C#N)c(OC)c2)c1C 440625591 LPAYZWKHZHSDMR-GFCCVEGCSA-N 298.390 3.655 30 20 CHED N#CCN(Cc1cc(Cl)sc1Cl)C1CC1 449022466 XQVAFVUJQDAFKF-UHFFFAOYSA-N 261.177 3.543 30 20 CHED CC[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(C)cc1 612357703 MRTBRAYXDDYJDX-WMZOPIPTSA-N 299.418 3.781 30 20 CHED C=CCN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 539034815 JJMAXRFMPHPHRG-WDEREUQCSA-N 275.314 3.532 30 20 CHED C[C@@H]1C[C@H]1CC(=O)Nc1ccccc1SCCC#N 354276875 CWILARWRXBDBOM-NEPJUHHUSA-N 274.389 3.677 30 20 CHED C=CC[C@@H](C)NC(=O)c1oc2ccc(F)cc2c1C 265333371 NCUIDPALDJVOJE-SECBINFHSA-N 261.296 3.575 30 20 CHED C=CCN(C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1)C1CC1 536796058 JNCFMJZNPAJKRL-HNNXBMFYSA-N 286.419 3.594 30 20 CHED CCc1ccc(CN(C)Cc2ccc(OC)c(C#N)c2)cc1 533080007 ULPOWIIMZYZCFW-UHFFFAOYSA-N 294.398 3.761 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1cc(C)cc(C)c1 538326109 MGHLRADTMHOAMU-OAHLLOKOSA-N 275.392 3.543 30 20 CHED CC(C)[C@H](C#N)NC(=O)CCc1ccc(Cl)c(Cl)c1 264803417 UNERKSBVDHVQAC-ZDUSSCGKSA-N 299.201 3.590 30 20 CHED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCC1 610549547 XYPQIZRZKFTXOA-SNVBAGLBSA-N 288.416 3.873 30 20 CHED CCCCCCCC(=O)N1CCC([C@H]2CCOC2)CC1 363748370 IIBVMWLHQJYYCT-INIZCTEOSA-N 281.440 3.622 30 20 CHED N#Cc1ccc(CNC(=O)c2cccc(C3CCC3)c2)cc1 619585950 UTYDJVRHJISQLY-UHFFFAOYSA-N 290.366 3.756 30 20 CHED Cc1cccc2nc(N3CCC[C@](C)(C#N)C3)sc12 619489692 DNUSNPYOVKLRBB-OAHLLOKOSA-N 271.389 3.735 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCCc1cccc(C#N)c1 451426365 HUMJFTXLMZZTFR-QGZVFWFLSA-N 286.419 3.679 30 20 CHED C=CCCS[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C 610088858 HXDAFOUKZZBRTB-KBPBESRZSA-N 277.433 3.870 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 617789324 FSNJVEOBLYNHFF-LBPRGKRZSA-N 263.768 3.768 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(-c2cccc(F)c2F)o1 361564174 MNLYFFSATGPURC-LLVKDONJSA-N 290.313 3.959 30 20 CHED N#Cc1ccc(/C=C/c2nc([C@H]3Cc4ccccc43)no2)cc1 544972970 QAEFQSOXMBVZAL-FVNWOWOISA-N 299.333 3.800 30 20 CHED C=CCCN(C)C(=O)c1cc(Br)c(C)cc1C 451067655 ZQZMVALNVFJYLZ-UHFFFAOYSA-N 296.208 3.714 30 20 CHED CC1(C)CC=C(C(=O)N(CCC#N)Cc2ccco2)CC1 455228264 VFSQDSGWHAMHMF-UHFFFAOYSA-N 286.375 3.658 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1nc2c(cc1C#N)CCCC2 546175656 NOBZRSKCDNSMSH-LBPRGKRZSA-N 297.324 3.975 30 20 CHED N#CCC1CCN(Cc2ccc(C(F)F)cc2)CC1 545894144 DKWAYUZGQSICOB-UHFFFAOYSA-N 264.319 3.750 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(O)cc1CC 360563446 TWDBZSWDLRFYRK-UHFFFAOYSA-N 291.391 3.656 30 20 CHED C=CCOc1cccc(CN2CC3CC2(C(F)(F)F)C3)c1 459776083 QTMWIHQOQOQWFP-UHFFFAOYSA-N 297.320 3.778 30 20 CHED COc1cc(OC[C@H]2CCCCC2(F)F)ccc1C#N 450920749 APBCZRKQTFFFBA-GFCCVEGCSA-N 281.302 3.771 30 20 CHED CC(C)(C)[C@H]1CC=C(c2ccc(C#CCO)nc2)CC1 623168887 WRGCVLBWZMXNQR-INIZCTEOSA-N 269.388 3.655 30 20 CHED C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C1CC1 360661476 AWFGXXAYAZEFST-PXAZEXFGSA-N 254.377 3.714 30 20 CHED C=CCCCC(=O)N1CC[C@@H](c2cccc(C)c2)C1 273053289 GLWSOJDAZAVIKU-MRXNPFEDSA-N 257.377 3.667 30 20 CHED CO[C@@H](C)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 541089073 ICJNTCNYFUTCFK-LSDHHAIUSA-N 294.398 3.911 30 20 CHED CC(C)(C#N)c1nc(-c2cc(F)ccc2C(F)(F)F)no1 273738303 LEKFWOBUMWGOHS-UHFFFAOYSA-N 299.227 3.696 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)CCC(C)(C)C 544403578 FECRLJMBVWRISP-DOMZBBRYSA-N 252.402 3.503 30 20 CHED C=CCC(CC=C)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 467367974 FFNBSOJIVBFRHW-CWRNSKLLSA-N 261.409 3.697 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1c(F)cccc1Cl 276034560 DYKBCAXLNJXWQO-JTQLQIEISA-N 284.762 3.758 30 20 CHED CC(C)(C#N)CCCCn1ccc(=O)c2sccc21 277817571 XQGBZWOVGFSLFQ-UHFFFAOYSA-N 274.389 3.783 30 20 CHED Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(C#N)c1)CO2 376164686 FXRQEAQRPRZOBE-DYVFJYSZSA-N 278.355 3.651 30 20 CHED C=CC[C@H](CC)NC(=O)c1oc(-c2ccccc2)nc1C 281248505 GBVWBYIUXMUHPM-AWEZNQCLSA-N 284.359 3.735 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 466315819 BPTBIKWCEOIJQP-BFHYXJOUSA-N 284.469 3.657 30 20 CHED C#CCCCNC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 378467432 SLJVFJZFTZMZNS-PKOBYXMFSA-N 296.414 3.511 30 20 CHED C[C@H]1CC[C@H](C)N1CC#Cc1ccc(C(F)(F)F)cc1 466693976 XNGXWPKHWYPZQQ-STQMWFEESA-N 281.321 3.930 30 20 CHED C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 374238303 HFNSVJBXQKUKIK-IAQYHMDHSA-N 294.345 3.776 30 20 CHED C=C[C@@H](CO)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 289680164 HQOAGRVWECXRTE-YOEHRIQHSA-N 297.398 3.560 30 20 CHED Cc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)oc1C 282049915 GJXIRBCCTBRJHF-CYBMUJFWSA-N 284.359 3.650 30 20 CHED CCc1ccccc1CC(=O)Nc1ccc(C#N)c(Cl)c1 467855205 UYEWEFOAVHXZFX-UHFFFAOYSA-N 298.773 3.955 30 20 CHED C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCC1(F)F 289949309 VWXRHSWIYONVQD-ZDUSSCGKSA-N 292.373 3.965 30 20 CHED C=CCN1CCC(N[C@@H](Cc2ccccc2C)C2CC2)CC1 284131977 CYBHSZRZWPPYMM-FQEVSTJZSA-N 298.474 3.556 30 20 CHED C=C(C)[C@H](N[C@H]1CCn2ccnc21)c1ccc(F)c(F)c1 296487984 PNCCAPFWJPDCRI-GJZGRUSLSA-N 289.329 3.513 30 20 CHED C=CCC[C@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1 472656223 YPRMAUGPVIWGEW-AWEZNQCLSA-N 299.336 3.611 30 20 CHED CSC[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 292426307 NEAHUUMHRNKTJE-HIFRSBDPSA-N 274.433 3.694 30 20 CHED C#CCCCCNC(=O)Nc1cc(C)c(F)cc1Cl 806585065 GUHPLYSQYMQRDY-UHFFFAOYSA-N 282.746 3.713 30 20 CHED C#C[C@H](NC/C=C/c1ccc(F)cc1F)C(C)(C)C 809782902 KLNWGIVRXATOKW-LFAOLKIESA-N 263.331 3.616 30 20 CHED Cn1cnc(/C=C\C(=O)c2cccc(-c3ccccc3)c2)c1 800793303 JLFLRVGMLNAVHR-KHPPLWFESA-N 288.350 3.983 30 20 CHED C#Cc1cncc(C(=O)Nc2ccc(C3CCC3)cc2)c1 807434105 FHPYHCPOFXVTEF-UHFFFAOYSA-N 276.339 3.583 30 20 CHED Cc1nc(N2CC[C@@H]2c2ccc(Cl)cc2)ccc1C#N 291999729 RHBMZJIEMUSWRE-OAHLLOKOSA-N 283.762 3.867 30 20 CHED N#Cc1nc(F)ccc1OCCCc1ccc(Cl)cc1 808275412 WBCSLQQGRJIZAO-UHFFFAOYSA-N 290.725 3.757 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1oc(CC)nc1C 294282575 PAEOSKHJEVKQHT-UHFFFAOYSA-N 298.386 3.764 30 20 CHED N#CCCCCCC(=O)Nc1ccc(N2CCCC2)cc1 806363977 NGHPPEKTNJPWRY-UHFFFAOYSA-N 285.391 3.699 30 20 CHED Cc1cccc([C@@H]2CCCN2c2cc(C)nc(C#N)c2)c1 561131115 QZPYOXNPTPXCBL-SFHVURJKSA-N 277.371 3.912 30 20 CHED COc1cc(Cl)ccc1COc1ccc(C#N)cc1 475970661 XNAKZAGWLIWSJA-UHFFFAOYSA-N 273.719 3.799 30 20 CHED C=CCOCCN[C@H](C)c1ccc(Oc2cccnc2)cc1 293658474 TTZGFKQQTCRWAV-OAHLLOKOSA-N 298.386 3.727 30 20 CHED CC(C)(C#N)CCCOC(=O)Cc1coc2ccccc12 803721218 YGNXRLUCSGWIQZ-UHFFFAOYSA-N 285.343 3.848 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccc(OC)c(C)c1 472860024 SQXUJTWPPHGYMC-UHFFFAOYSA-N 290.407 3.501 30 20 CHED Cc1cc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc(C)c1O 811695295 CFSSZIZNNXUNDI-FRKPEAEDSA-N 289.334 3.703 30 20 CHED CCSc1cccc(C=NOCCOC(C)C)c1 812237644 AQIWQUJEACPWMH-UHFFFAOYSA-N 267.394 3.574 30 20 CHED C=C(C)CCNCc1cn(CC)nc1-c1ccccc1 641758266 LVUPLYBPALVKOU-UHFFFAOYSA-N 269.392 3.626 30 20 CHED CCCN(CC#N)C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 489940779 SUJHATGAWYOVPX-GJZGRUSLSA-N 284.403 3.738 30 20 CHED COc1cc(C(C)=NNc2cccc3ccccc23)on1 814822877 HVQRDKZKDPJAEU-UHFFFAOYSA-N 281.315 3.673 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCC(=O)N1CCCCCC1 657862124 CKBKMEFGFPQANZ-DLBZAZTESA-N 292.467 3.504 30 20 CHED C=C[C@H]1CCCCN1C(=O)Cc1cccc2ccccc12 488856522 PTAWYRKZXKGJST-KRWDZBQOSA-N 279.383 3.949 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1 481304447 DFIALILBJUOREK-OAGGEKHMSA-N 281.440 3.785 30 20 CHED CC(Cc1ccc(O)cc1)=NNc1ccc2ccccc2n1 814697509 RBPQEGHXFUSSDR-UHFFFAOYSA-N 291.354 3.971 30 20 CHED CCCC(=NNCCc1ccccc1F)c1ccccn1 814875431 ICIIXVGHQXRMBE-UHFFFAOYSA-N 285.366 3.557 30 20 CHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccccc2F)o1 812459589 BUFUVTFEPJHYEM-PWSUYJOCSA-N 258.296 3.988 30 20 CHED C/C(C=NOC/C=C/Cl)=C\c1cccc([N+](=O)[O-])c1 811672285 VNRLOFYXJSJZDA-MOTUDQBQSA-N 280.711 3.753 30 20 CHED CC(=NOC/C=C/Cl)c1c(C)cc(C)cc1O 811670565 VNXWOGUIZJQYNR-XKPCYTIDSA-N 253.729 3.502 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@H]1CCC[C@@H](OC)C1 483818719 IGMXPPLQTSVHER-LSDHHAIUSA-N 294.439 3.560 30 20 CHED CC(=NNCCc1ccccn1)c1cccc(C2CC2)c1 814924963 JTSLBAQQZCRPCD-UHFFFAOYSA-N 279.387 3.515 30 20 CHED C#Cc1ccccc1CC(=O)NCc1cccc2ccccc12 810065343 RPEQSCGZFLPOKL-UHFFFAOYSA-N 299.373 3.680 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCCCCC3)c2c1 487899876 WUVRHQUQZLECAU-UHFFFAOYSA-N 265.360 3.795 30 20 CHED C=CCC(F)(F)C(=O)N1CCC(c2ccccc2F)CC1 815659102 SZPFWLMACLZOKF-UHFFFAOYSA-N 297.320 3.743 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cncnc1C 655777390 UNYUNECXUYCXIT-RDJZCZTQSA-N 281.403 3.623 30 20 CHED COc1ccc(NN=C2CC[C@@H](Cc3ccccc3)C2)nc1 814909043 VXKKBMSRYICZGU-HNNXBMFYSA-N 295.386 3.901 30 20 CHED C=CCC(C)(C)CNC(=O)/C=C/c1ccc2ccccc2n1 814420086 LIJQDSVZCDSLJU-VAWYXSNFSA-N 294.398 3.967 30 20 CHED Cc1cc(C(=O)/C=C/C2=Cc3ccccc3OC2)ccc1O 728232884 XPASNNVXCUIBPS-SOFGYWHQSA-N 292.334 3.916 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC[C@@H](O)c1ccc(F)cc1 819367787 JVYUKSDFCABHDF-RBUKOAKNSA-N 299.389 3.636 30 20 CHED CC(CCc1ccco1)=NNCCCc1ccccc1 729146133 MRWYQUWYFAUQPV-UHFFFAOYSA-N 270.376 3.811 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 570217982 ZTSYEHZNGZCMOI-UXLLHSPISA-N 257.377 3.569 30 20 CHED C[C@@H](Cc1ccsc1)Nc1ncc2c(c1C#N)CCC2 572477445 WSWIHTKGYSOYRP-NSHDSACASA-N 283.400 3.547 30 20 CHED C=C(C)COC(=O)[C@H](C)Oc1ccccc1C(F)(F)F 727203665 CJNOYGZKTASEBQ-JTQLQIEISA-N 288.265 3.592 30 20 CHED C=C[C@@H](CC)CC(=O)N1CCOc2ccccc2[C@H]1C 826763979 TXGZASCSDWVBFT-KGLIPLIRSA-N 273.376 3.571 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@@H]2CCCC[C@H]2C)cc1 728712012 RRCOVKYOUWEIGF-INMHGKMJSA-N 286.419 3.893 30 20 CHED C#C[C@H](NC(=O)N(C)C1CCCCCC1)c1ccccc1 820606348 WRPDZDHIWOCNRD-KRWDZBQOSA-N 284.403 3.725 30 20 CHED C=CCCCNC(=O)Nc1cccc(F)c1SC 667417407 ZHEGBVMIEXTUJO-UHFFFAOYSA-N 268.357 3.635 30 20 CHED CCCN(C(=O)C#CC(C)C)[C@@H]1CCc2ccccc21 824516422 URIHLDACBOSCSF-QGZVFWFLSA-N 269.388 3.572 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1cc(-c2ncco2)ccc1C 491193461 ZPRNBOGWNCNLGI-AWEZNQCLSA-N 297.358 3.573 30 20 CHED C=CCCCCNC(=O)c1ccc(C)cc1Cl 495156557 MPXCWCJSDOMGPL-UHFFFAOYSA-N 251.757 3.735 30 20 CHED C(=NN=c1cc[nH]c2ccccc12)c1c[nH]c2ccccc12 730147966 LMKMXYSCGSHWTR-UHFFFAOYSA-N 286.338 3.584 30 20 CHED CC(C)COc1ccc(C=NNCc2ccccc2)cc1 730145445 ZKBOTIYNMXPWID-UHFFFAOYSA-N 282.387 3.845 30 20 CHED CCCSCC(C)=NNc1nncc2ccccc12 901128807 NKXHYTQJLCYGPZ-UHFFFAOYSA-N 274.393 3.561 30 20 CHED CC(C)N1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1 498050257 SSOOYKUMQPSYQL-UHFFFAOYSA-N 265.360 3.537 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2ncc(Cl)n2C)CCCC1 835269227 KYDUSMPJSRFJOY-LLVKDONJSA-N 296.798 3.814 30 20 CHED Cc1cccc(-c2cccc(CNC(=O)C#CC3CC3)c2)c1 837386384 MBXFNDJNAKIVSA-UHFFFAOYSA-N 289.378 3.692 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H](C)C[C@@H](C)CC 497519532 NMAGRRTWRRJBBU-LSDHHAIUSA-N 292.423 3.844 30 20 CHED CC(C)(C)c1ncc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)s1 839047806 INQLORWLWLTGCJ-MNOVXSKESA-N 292.404 3.680 30 20 CHED CC(C)[C@H]1CCCC1=NNc1ncc(F)cc1F 835022725 RNFRILVNBCXUNZ-SNVBAGLBSA-N 253.296 3.584 30 20 CHED C=CCC(F)(F)C(=O)N(CC1CC1)c1ccc(OC)cc1 836839833 JANPTADDROJCMM-UHFFFAOYSA-N 295.329 3.650 30 20 CHED C=CCCC[C@H](C)OC(=O)c1sc(COCC)nc1C 835271112 YUEINHNFGMORPY-NSHDSACASA-N 297.420 3.890 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cncn1C(C)C)C2 901473307 BECWHUZYVSYEKR-RIYZIHGNSA-N 266.344 3.595 30 20 CHED Cc1coc2ccc(NC(=O)C#CC(C)(C)C)cc12 837542930 RJKVVNLKNRQLJQ-UHFFFAOYSA-N 255.317 3.729 30 20 CHED CC(C)(C)C[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 832727866 ZJRCJXNCXBWIDE-MRXNPFEDSA-N 286.419 3.847 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1ccc(F)cc1Cl 730543143 FABCVJDGRSEERN-UHFFFAOYSA-N 292.745 3.722 30 20 CHED C=C(Cl)COC(=O)/C=C/c1ccc(Cl)s1 839242615 ZUMVTTMKUFFWFF-HWKANZROSA-N 263.145 3.710 30 20 CHED C=CCC1(NC(=O)CC2CC(OCC)C2)CCCCC1 836956972 MXTVTCVJJLIERH-UHFFFAOYSA-N 279.424 3.587 30 20 CHED N#Cc1ccc(COC(=O)[C@@H]2CCCCC2(F)F)c(F)c1 837824708 FZMNRCPSGKROFX-LBPRGKRZSA-N 297.276 3.566 30 20 CHED Cc1cc(C)c2c(c1)C/C(=C\c1cncn1C(C)C)C2=O 901531781 NAQRZXQZALPNHT-OVCLIPMQSA-N 280.371 3.903 30 20 CHED CC(C)(CC(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccccc1 839048808 OKBNXBNLIVICCV-HOCLYGCPSA-N 285.387 3.980 30 20 CHED C#Cc1ccc(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)nc1 839892574 XWEXNMVFKYHDBS-HNNXBMFYSA-N 298.430 3.740 30 20 CHED C=C[C@@](C)(CCOC)c1nc(C2(CC)CCCC2)no1 581696881 GLQXSEYQTLZBAR-HNNXBMFYSA-N 278.396 3.772 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cscc2C)no1 903677542 RWOWIZKYXAIRBY-JQWIXIFHSA-N 276.361 3.555 30 20 CHED CC(C)(C)C#CC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 837521295 AXNPCZDTYLNPFP-WFTPILKQSA-N 281.399 3.740 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1c1ccc(F)cc1C 837102463 SAHLANNVPATLEQ-KRWDZBQOSA-N 287.378 3.991 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)CCCCCC#N 588147464 NWNNLTPCXNCMLD-AWEZNQCLSA-N 258.365 3.680 30 20 CHED C=CCCCOC(=O)c1cc(-c2ccc(C)cc2)no1 735528870 UNNDBWYZSYLXAK-UHFFFAOYSA-N 271.316 3.773 30 20 CHED C=C(Cl)CN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 839531657 MONVQHCWMZKNHG-ZDUSSCGKSA-N 289.810 3.803 30 20 CHED S=C(NN=Cc1ccc(Cl)s1)Nc1ccccc1 839388020 FSXVLHBFCHNFOZ-UHFFFAOYSA-N 295.820 3.722 30 20 CHED C#CCC1(C(=O)OCc2csc(Cl)n2)CCCCC1 837660447 QDUFMWWZBDTVFD-UHFFFAOYSA-N 297.807 3.814 30 20 CHED C=CC[C@H](NC(=O)c1coc2ccccc12)c1ccncc1 734459809 LBNBOHAAAASERP-INIZCTEOSA-N 292.338 3.875 30 20 CHED CC(=NNCc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 915974947 MKYJZMCNHZWFBU-UHFFFAOYSA-N 296.267 3.757 30 20 CHED C=CCCc1noc(-c2cc(Cl)c(Cl)n2C)n1 834815799 YMXAMIGSIDTJPQ-UHFFFAOYSA-N 272.135 3.501 30 20 CHED Cc1cc(-c2cc(CN(C)C)ccc2F)ccc1CC#N 596641337 UNGHPLYOWMROFO-UHFFFAOYSA-N 282.362 3.929 30 20 CHED N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 597905316 XTSNYQDCCFHPBT-MWDXBVQZSA-N 288.435 3.745 30 20 CHED CCC[C@H](C(=O)N(CC)CCC#N)c1ccc(Cl)cc1 596890818 MCZZTHRYKSCDSY-HNNXBMFYSA-N 292.810 3.986 30 20 CHED C=C(C)CCOC(=O)CCOc1cccc(C)c1C 744303238 SJRZPDNSMARCQV-UHFFFAOYSA-N 262.349 3.582 30 20 CHED C=C(C)[C@H](NCCCCC(=O)OC)c1ccc(F)c(F)c1 599367668 LSAIINGEEAOGOP-INIZCTEOSA-N 297.345 3.515 30 20 CHED COCCON=C(C)c1ccc(-c2ccccc2OC)cc1 748791905 QZXKBXOXVHJFJH-UHFFFAOYSA-N 299.370 3.749 30 20 CHED C=CCCOCC(=O)N[C@H](c1ccccc1C)C(C)(C)C 674308934 KEUJLDYTWLTUTO-QGZVFWFLSA-N 289.419 3.791 30 20 CHED CCN(Cc1ccccc1Oc1cccnc1)[C@@H](C)C#N 595813430 MTFWVJDUDPNDAK-AWEZNQCLSA-N 281.359 3.608 30 20 CHED CCCOc1ccc(CNCCCCC#N)c(C)c1 594928913 WSDMJUIGVWHMSD-UHFFFAOYSA-N 260.381 3.567 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@H](C)c2ccco2)cc1 741682510 ZMMOSPCKRPGRGH-CQSZACIVSA-N 282.343 3.638 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](CO)c1ccc(Cl)cc1 672620504 QCHUACFDSGDWEX-GOEBONIOSA-N 281.827 3.750 30 20 CHED C=CCCOCC(=O)Nc1ccc(COC(C)(C)C)cc1 674524607 NNSZGXGOMODRSZ-UHFFFAOYSA-N 291.391 3.533 30 20 CHED C[C@@H](C(=O)N(c1ccc(C#N)cc1)C1CCC1)C(C)(F)F 598886592 VZTJRQUSFQSQBO-NSHDSACASA-N 292.329 3.735 30 20 CHED Cc1cc(/C=C2\C[C@H](C)c3ccccc3C2=O)nn1C 840717406 UTLHAJLFYIEFGO-CDDSVFCYSA-N 266.344 3.502 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)OCC(=O)c1cccc(C#N)c1 748257714 JKCSCOFSCQRBOA-HIFRSBDPSA-N 299.370 3.501 30 20 CHED Cc1cccc(CC(=O)[C@H](C#N)c2nc(C3CC3)cs2)c1 842941337 IRBKUJDOFPCFJU-AWEZNQCLSA-N 296.395 3.748 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@H](C)c1ccc(C)o1 742592843 XTBQDONWHYJIGB-INIZCTEOSA-N 297.398 3.949 30 20 CHED C[C@H](C=NNC(=S)NC1CCCCC1)c1ccccc1 915928222 XYIDBUPCGXODCL-CYBMUJFWSA-N 289.448 3.573 30 20 CHED Cc1ccc(C=NNC(=S)Nc2c(C)cccc2C)o1 915912462 UBMYBTXYRVGDPY-UHFFFAOYSA-N 287.388 3.525 30 20 CHED N#CC1(CC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)CCCCC1 597293813 OORQCPRXBVIXCY-IRXDYDNUSA-N 296.414 3.598 30 20 CHED CC(C)C[C@@H](C(=O)OCC#N)c1ccc(Cl)cc1 849870980 KGRNLIORUKVCJP-CYBMUJFWSA-N 265.740 3.536 30 20 CHED C=CCc1ccc(OCC(=O)O[C@H](C)CCC)c(OC)c1 748101718 KDNLYCXVLRBWRQ-CYBMUJFWSA-N 292.375 3.534 30 20 CHED C(=NNc1ccccc1)c1csc(-c2ccccn2)n1 915933284 QUMIAOKIHLLWTQ-UHFFFAOYSA-N 280.356 3.651 30 20 CHED Cc1ccc(C#N)nc1N[C@@H]1CCCc2cc(C#N)ccc21 596278291 NSPFOXRQDYOEGI-QGZVFWFLSA-N 288.354 3.623 30 20 CHED CC(=NNc1cnccn1)[C@H](C)c1nc2ccccc2s1 748780579 LEVLLBWYBAGHIA-JTQLQIEISA-N 297.387 3.678 30 20 CHED CCCCCCCCCN(C)C(=O)Cc1cc(C)no1 845267347 BAVQNXOLUMJTTL-UHFFFAOYSA-N 280.412 3.735 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 593451162 VHJITRLJXCQNCO-IAQYHMDHSA-N 290.794 3.847 30 20 CHED Cc1cccc(-c2nnc(SCC3(CC#N)CC3)o2)c1 594884152 VYPHBVSJUCQVEM-UHFFFAOYSA-N 285.372 3.831 30 20 CHED CN(C(=O)[C@H]1CCC[C@H]1Cc1ccccc1)C1(C#N)CCC1 596910888 KNEGBFVRVFAZMX-IRXDYDNUSA-N 296.414 3.550 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccccc1C(C)C 848551227 GTKSAKPJFOMUDH-SJLPKXTDSA-N 273.420 3.881 30 20 CHED C=C[C@H](C)ONC(=O)N(CC)[C@H](CC)Cc1ccccc1 845629036 GXLSTXLXDMIJPQ-GOEBONIOSA-N 290.407 3.545 30 20 CHED C=CCN(CCC#N)C(=O)Nc1c(C)cc(C)cc1Cl 590104114 DINMLVLITNDNQL-UHFFFAOYSA-N 291.782 3.890 30 20 CHED CC(C)(C#N)CCCC[S@@](=O)Cc1ccc(Cl)cn1 841728113 CFMFZHKKEBHMBQ-LJQANCHMSA-N 298.839 3.704 30 20 CHED N#CC1(CCOC(=O)c2ccccc2F)CCCCC1 840197044 QZGVWQVGFQOEEO-UHFFFAOYSA-N 275.323 3.847 30 20 CHED CCO[C@@H]1CCC[C@H]1/N=C\c1c(O)ccc2ccccc12 840709175 HNFVIGCJMUXRIB-GEGCAVGHSA-N 283.371 3.922 30 20 CHED FC1(F)CCC(=NNc2nc3ccccc3[nH]2)CC1 842519564 OYIOWFTZFGTGAT-UHFFFAOYSA-N 264.279 3.540 30 20 CHED FC(F)CNN=C1CCCC[C@H]1c1ccccc1 740618497 RZDPJPJUZANVDY-LBPRGKRZSA-N 252.308 3.555 30 20 CHED C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 593598088 NFYJPLIEIVHSDJ-MLGOLLRUSA-N 290.794 3.596 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(CC(C)C)cc2)n(C)n1 841487289 LAEIXESPVSTCCJ-MDZDMXLPSA-N 282.387 3.823 30 20 CHED Cc1ccc(F)c(NN=C2[C@@H]3CCCO[C@H]3C2(C)C)c1 759652628 KYIXEXRDSVGFAK-XHDPSFHLSA-N 276.355 3.737 30 20 CHED C=C[C@](C)(CCOC)C(=O)N1CCCc2c(C)cccc21 682083191 KGMWUTAIUCPEFU-GOSISDBHSA-N 287.403 3.503 30 20 CHED C=CC[C@H]1CCCN(C(=O)/C=C\c2ccc(OC)cc2)C1 855441135 VOROVQLNRWCJIL-CKDIWJPDSA-N 285.387 3.523 30 20 CHED C=C(C)CCN[C@@H](CN1CCCCC1)c1ccccc1 681410315 OTNJCYADWUMGTN-SFHVURJKSA-N 272.436 3.769 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)CCc1ccsc1 851214658 USGGQRBCTPHCCX-NSHDSACASA-N 265.378 3.552 30 20 CHED CCCc1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1 854225504 GWYVTBUMPOZTAY-OAHLLOKOSA-N 285.391 3.797 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccccc1-c1cccs1 753944876 MLWRNWKLUDPYPJ-UHFFFAOYSA-N 284.384 3.948 30 20 CHED CC1=CC(=NNc2nc(C(F)(F)F)cs2)CC1 755902710 ACSZTBPEYUVZDZ-UHFFFAOYSA-N 261.272 3.670 30 20 CHED CC#CCCCc1nc([C@H](C)c2cccc(OC)c2)no1 685274636 VGEZUHBCGNPAJB-CYBMUJFWSA-N 284.359 3.576 30 20 CHED CCON=C1CCCOc2c1ccc(Cl)c2Cl 921139043 FGYVWVUBHBCPHJ-UHFFFAOYSA-N 274.147 3.907 30 20 CHED CC(C)C#CC(=O)Nc1ccccc1SC(F)F 854324609 YZTCKHWCVPWZLF-UHFFFAOYSA-N 269.316 3.599 30 20 CHED C=CCCNC(=O)c1cccc(SC(F)(F)F)c1 855380672 GVKJVFKMCWCBTM-UHFFFAOYSA-N 275.295 3.604 30 20 CHED CC(=NNc1ccnc(Cl)c1)c1nc(C)sc1C 853394475 QJLJMUAEZILZAZ-UHFFFAOYSA-N 280.784 3.644 30 20 CHED FC(F)(F)CC(=NNC1CC1)c1ccc(Cl)cc1 758126284 DTYVCOOIENMKSF-UHFFFAOYSA-N 276.689 3.749 30 20 CHED CCN(Cn1ccc(=S)c2ccccc21)[C@H](C)C#N 853577005 ABPWVHFAVIWMBV-GFCCVEGCSA-N 271.389 3.562 30 20 CHED COc1cccc2cc(CN3CCC[C@@](C)(C#N)C3)oc12 753587786 RDQWXBDYMPDFDH-KRWDZBQOSA-N 284.359 3.567 30 20 CHED Cc1cc(C)c(C)c(OC(=O)c2cc(C#N)cs2)c1 752163602 HMVRWSPQIJKKCZ-UHFFFAOYSA-N 271.341 3.764 30 20 CHED CCc1nnc(S)n1N=C[C@H](C)CC1CCCCC1 758075282 ZPCGPSNDPULPAS-LLVKDONJSA-N 280.441 3.570 30 20 CHED CCc1ccccc1NN=Cc1ccc(N2CCCC2)nc1 758373597 YSXKXFFGXVUQIM-UHFFFAOYSA-N 294.402 3.690 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc([C@@H](O)C(F)(F)F)cc2)C1 866417367 OSYRJTVJGOUWSE-DDTOSNHZSA-N 298.308 3.777 30 20 CHED C#CCN(C(=O)Nc1cc(C)c(OC)cc1Cl)C(C)C 931448867 MWUDVFDAGQEIIK-UHFFFAOYSA-N 294.782 3.533 30 20 CHED C[C@H](NCCCCC#N)c1cc(Cl)c(N)c(Cl)c1 760174132 YCWHIZKYVMVCLU-VIFPVBQESA-N 286.206 3.920 30 20 CHED CC(C)CNN=Cc1ccc(F)c(Cl)c1Cl 761834052 MVAKCPFZZJZFLX-UHFFFAOYSA-N 263.143 3.712 30 20 CHED N#Cc1cccc([C@@H]2CN(CC3CCCCC3)CCO2)c1 761758192 DTOBWTPMUIFIQA-SFHVURJKSA-N 284.403 3.512 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 932179805 JHLXHJOVQOAKGX-RISCZKNCSA-N 276.767 3.623 30 20 CHED C=C1CCN(C(=O)c2cc3c(C)cccc3o2)CC1 932037348 CNTUCQBPINZLGB-UHFFFAOYSA-N 255.317 3.533 30 20 CHED Cc1cc(C)nc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 930765054 RSCXQYMTNZSXCZ-OAHLLOKOSA-N 279.387 3.763 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(Cl)c1OC 930560052 YTLAWHLVISGKPO-JTQLQIEISA-N 267.756 3.889 30 20 CHED C#CCNC(=S)Nc1ccc(-c2ccccc2)c(C)c1 762431534 MIITVWYJQHQMKH-UHFFFAOYSA-N 280.396 3.582 30 20 CHED C=CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 766021527 UJYJFOHTFDRMDN-GUYCJALGSA-N 297.358 3.958 30 20 CHED C#CCC(C)(C)C(=O)N(C)c1ccc2ccccc2c1 767045303 KHAXPVWCLWZCNK-UHFFFAOYSA-N 265.356 3.852 30 20 CHED Cc1ncsc1/C=C/C(=O)c1ccc(F)cc1N(C)C 764442315 NXZUUHFBXQOWAQ-VOTSOKGWSA-N 290.363 3.553 30 20 CHED C=C(C)CN(C)Cc1ccccc1N1CCCCC1 764805249 NXOGUHZZFFIQDT-UHFFFAOYSA-N 258.409 3.685 30 20 CHED C#CCCCN(CC)Cc1cccc(Br)c1 766896618 VHPKOFOMMNAFGC-UHFFFAOYSA-N 280.209 3.684 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(NC(=O)C2CC2)c1 878121549 LKJXAHVSXKJQED-UHFFFAOYSA-N 286.375 3.576 30 20 CHED Cn1nccc1C(=O)/C=C/c1csc(Cl)c1Cl 766034876 USAPPEBJZFBLDF-NSCUHMNNSA-N 287.171 3.685 30 20 CHED C#CCCOc1ccc(CN(CC)CC(C)C)cc1 768335413 ORRCJWORQWTOEI-UHFFFAOYSA-N 259.393 3.567 30 20 CHED CCCC1(C(=O)Oc2ccc(C#N)c(C)c2)CCC1 765118294 RIQDNHKRJQJWKB-UHFFFAOYSA-N 257.333 3.743 30 20 CHED CCCCC[C@@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 775611336 RTWVTEXMPLPXIC-LLVKDONJSA-N 278.783 3.910 30 20 CHED C=C(Cl)CN[C@@H](c1ccc2nc(O)oc2c1)C(C)C 774449266 NJILHZPCOSRZMF-CYBMUJFWSA-N 280.755 3.573 30 20 CHED C#CCCCCCC(=O)N[C@H](C)[C@@H](C)c1ccccc1 779928441 FMQOPJPIVZGWRM-HZPDHXFCSA-N 271.404 3.879 30 20 CHED CC(C)[C@@H]1C[C@H](NCc2ccc(C#N)cn2)c2ccccc21 774372495 YFOAKLZYXWRNEO-OALUTQOASA-N 291.398 3.927 30 20 CHED C#CCOc1ccccc1NCc1c(F)cccc1F 774366146 GOKFYRXLHLYHIC-UHFFFAOYSA-N 273.282 3.589 30 20 CHED CCC1(CC)CCN(C(=O)Cc2ccccc2CC#N)CC1 777211385 YGHZUTNYGAKCFM-UHFFFAOYSA-N 298.430 3.724 30 20 CHED C=CCC[C@H](C(=O)O[C@H]1CCSC1)c1ccccc1 778631932 LYCZMJNXCNTSEQ-GJZGRUSLSA-N 276.401 3.785 30 20 CHED C=CCSCCN[C@@H](C)c1ccc(N(C)CC)cc1 772952536 HIELHNMYVCEIRI-AWEZNQCLSA-N 278.465 3.713 30 20 CHED N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc(Cl)cc1F 773163636 XUMATWFWPRECQF-AWNIVKPZSA-N 298.704 3.843 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1cc(C)sc1C 780251864 FFUFKRMBIQVBPE-ZDUSSCGKSA-N 280.437 3.636 30 20 CHED C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc2c(c1)CCC2 1127722936 KFJFCZRIXFTATO-LLVKDONJSA-N 296.395 3.599 30 20 CHED COc1ccc(NN=C2CCCCc3ccccc32)nc1 780276166 JWOFPEITPZYGLI-UHFFFAOYSA-N 281.359 3.633 30 20 CHED C[C@@H]1C[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 786257564 WEXASDZQFNHPLV-XWIAVFTESA-N 290.366 3.937 30 20 CHED C=CCN(C(=O)Nc1cscc1Cl)C(C)C 880979383 UTXVHXSMBURODQ-UHFFFAOYSA-N 258.774 3.830 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)cc1 1129491846 LBIJMXSANSOLRP-KZNAEPCWSA-N 298.430 3.954 30 20 CHED CC(C)=CCOc1cccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1 1122717899 PFAXQNHSEDDWRJ-PBHICJAKSA-N 299.370 3.881 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@H]1CCOc2cc(F)ccc21 786636264 FETRWMGWEIXIAN-BBRMVZONSA-N 278.323 3.795 30 20 CHED COC1CCC(=NNc2nccc3sccc23)CC1 783833047 NWUMHPDBWSVGSV-UHFFFAOYSA-N 275.377 3.653 30 20 CHED C#CCC1(C(=O)Nc2ncc(CC)s2)CCCCC1 788451113 YYBJABCRJPMWTP-UHFFFAOYSA-N 276.405 3.618 30 20 CHED C#CCN(CC)C(=O)c1ccc(C(C)C)c(Cl)c1 786174132 KYFUWMPYBZNQQR-UHFFFAOYSA-N 263.768 3.559 30 20 CHED C=CCCN(C)C(=S)N[C@@H](CC)c1cccs1 786084017 UFQOHURTZUJWGU-NSHDSACASA-N 268.451 3.582 30 20 CHED C[C@H]1CCC(=NN[C@@H]2CCOC(C)(C)C2)c2ccccc21 780248623 CETYMUFRVWJRNO-UONOGXRCSA-N 286.419 3.835 30 20 CHED C=CCCOC(=O)c1ncsc1-c1ccccc1 782384003 KBWXCYQQUDGZCH-UHFFFAOYSA-N 259.330 3.543 30 20 CHED CC(C)n1cc(C(=O)/C=C\c2ccc3cnccc3c2)cn1 782329419 SPWRUAVNKXPQMY-XQRVVYSFSA-N 291.354 3.908 30 20 CHED CC1(c2ccccc2)CCC(=NN[C@@H]2CCCOC2)CC1 780259670 CKPYGAWLOYNXHX-QNSVNVJESA-N 286.419 3.643 30 20 CHED C#CCOc1ccc([C@@H](C)NCC2(SC)CCC2)cc1 788605127 GCASTVIWCCNSEB-CQSZACIVSA-N 289.444 3.635 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccccc1Br 786609319 IKFJLBUBSVUNRE-ZDUSSCGKSA-N 283.165 3.957 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ncc(C)cc1C 791863399 GJVSYRFRHWSQQY-UHFFFAOYSA-N 294.398 3.917 30 20 CHED COc1c(C)cc(C(=O)/C=C/c2cccnc2)cc1Cl 794723197 FTLLPKVGUVPVFP-AATRIKPKSA-N 287.746 3.948 30 20 CHED C[C@H](OC(=O)c1ccc2c(c1)CCC=C2)C(C)(C)C#N 793175990 BHYSZZDLZVVFRR-LBPRGKRZSA-N 269.344 3.741 30 20 CHED CCN(Cc1cccc(C#N)c1)Cc1ccccc1F 1203764292 KBUVWXXGZYABDW-UHFFFAOYSA-N 268.335 3.719 30 20 CHED C[C@@H](ONC(=N)c1cccc(Cl)c1)c1ccc(C#N)cc1 794716547 UYZYCLRVFZBCGI-LLVKDONJSA-N 299.761 3.819 30 20 CHED COc1cc(NC(=O)c2ccc(C)c(C#N)c2)c(C)cc1C 799378376 GJWBUBDTTHMPOR-UHFFFAOYSA-N 294.354 3.744 30 20 CHED C[C@@H]1CC/C(=C\C(=O)[C@@H](C#N)c2cnc3ccccc3n2)C1 792100188 LKOLRZUZJREVDZ-IPUYDCKKSA-N 291.354 3.552 30 20 CHED C[C@H](NN=Cc1ccc(F)cc1Cl)C(C)(C)C 793115077 PKJXPFOQOSGVKC-VIFPVBQESA-N 256.752 3.837 30 20 CHED COc1ccc(/C=C/C(=O)c2ccnc(F)c2)c(Cl)c1 794718669 DESUMDIVWJBYNP-HWKANZROSA-N 291.709 3.779 30 20 CHED Cc1cc(C=NNc2cccc(Cl)n2)ccc1F 793173577 AYFNCYORQQQVHT-UHFFFAOYSA-N 263.703 3.629 30 20 CHED Cc1cc(C)c(C(=O)O)cc1/C=C\C(=O)c1ccccc1O 794941641 SZGQUNAZMVXNMA-FPLPWBNLSA-N 296.322 3.603 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1F 1219049529 AAPMGNCLYFOJPB-DGCLKSJQSA-N 289.354 3.645 30 20 CHED Cc1sccc1C(=O)Nc1ccc(Cl)c(C#N)c1 1525218144 CZBNLSUDVLWCIK-UHFFFAOYSA-N 276.748 3.834 30 20 CHED CCC1(CC)CN(c2cncc(C#N)n2)c2ccccc21 1162873710 OLWVCJFLNYECBX-UHFFFAOYSA-N 278.359 3.558 30 20 CHED Cc1ccc(NC(=O)CC#Cc2ccccc2)c(F)c1 1319121426 MMWSGNZRJPFBTC-UHFFFAOYSA-N 267.303 3.514 30 20 CHED C=C(Br)COc1ccc(C)c(Cl)c1 1166359457 PGMPXEHIFACZII-UHFFFAOYSA-N 261.546 3.936 30 20 CHED CCC[C@@H](NC(=O)c1cccc(C#N)c1C)c1ccccn1 1321729989 PREDQWASXRVXAJ-QGZVFWFLSA-N 293.370 3.533 30 20 CHED COc1cccc2cc(CN[C@@H]3CCC[C@H](C#N)C3)oc12 1321016474 UKSFUTNFSHKCQS-GXTWGEPZSA-N 284.359 3.613 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)o1 1322267494 HNZVFTTYZHRZIP-NSHDSACASA-N 285.347 3.670 30 20 CHED N#CCOc1ccc(NCc2ccc(Cl)cc2)cc1 20126380 DSCYEBQHYUPDOU-UHFFFAOYSA-N 272.735 3.854 30 20 CHED CO[C@@H](C)c1nc(COc2ccc(C#N)c(C)c2)cs1 277456858 IKZDYSHLPZBHIW-NSHDSACASA-N 288.372 3.610 30 20 CHED CC1(C)C[C@@H](CNc2cc(Cl)ccc2C#N)CCO1 413328277 DSVZZVKJKNGYPN-NSHDSACASA-N 278.783 3.829 30 20 CHED Cc1ccc(C#N)c(N[C@H](C)c2ccc(F)cc2)n1 43395758 NLGFMVXMIXYZQG-LLVKDONJSA-N 255.296 3.574 30 20 CHED CC[C@H](C#N)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 593409777 ZDVSBORCMZNLCT-BXUZGUMPSA-N 276.355 3.579 30 20 CHED C=C[C@H](Cc1nnc(-c2ccncc2)o1)c1ccccc1 1322106880 XTMOZIGMWHFUFQ-CYBMUJFWSA-N 277.327 3.644 30 20 CHED N#Cc1ccc(-c2nnc([C@H](F)Cc3ccccc3)o2)cc1 1327796639 SGRCLKFJGVUWIH-OAHLLOKOSA-N 293.301 3.862 30 20 CHED CC[C@@H]1CC[C@@H]1Nc1cccc(OCCCC#N)c1 562055271 SFBFWVBCCBKBAK-CJNGLKHVSA-N 258.365 3.970 30 20 CHED C[C@@H]1CC[C@H](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 1257872939 SWZATNSFEMTXJO-YPMHNXCESA-N 267.332 3.587 30 20 CHED CCCCCCCN(C)[C@H]1CCCc2c1cnn2C 749544796 XNNNAGKUSIOOSL-HNNXBMFYSA-N 263.429 3.700 30 20 CHED CCC1(CC)[C@H](Nc2cc(C)c(C#N)cn2)[C@H](C)[C@H]1OC 1185979790 UKLPVXLOEAQCJL-APHBMKBZSA-N 287.407 3.513 30 20 CHED C=CCCCOC(=O)C1(Sc2ccccc2)CC1 1253490011 FFOJMWLMKHSTQG-UHFFFAOYSA-N 262.374 3.821 30 20 CHED C#CCCN(CC)Cc1ccc(C(F)(F)F)cc1 760817801 BQKCQSXWKQBGAO-UHFFFAOYSA-N 255.283 3.551 30 20 CHED CCCCCCCCN1CCS[C@@H]2COCC[C@@H]21 767912081 MKEYBLWGMDPWEF-LSDHHAIUSA-N 271.470 3.553 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C23CCC(CC2)CC3)C1 1337292282 GPVBXSOFYQAMOE-ISXOHVOVSA-N 261.409 3.772 30 20 CHED C=C(C)CCN1CCCC[C@H]1[C@@H](O)c1ccccc1 775623366 JBQSACFEALLAQZ-IRXDYDNUSA-N 259.393 3.541 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1cc2cccc(C)c2o1 1339198259 VGCOKKQNERNVIA-ZDUSSCGKSA-N 270.332 3.506 30 20 CHED C#CCCOC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1331556376 VADFXJRBTJXRMQ-AWEZNQCLSA-N 277.339 3.662 30 20 CHED C[C@@H](CCC#N)CN1CCC(C(=O)c2cccs2)CC1 1331041335 KPYGIQKMTIJBJX-ZDUSSCGKSA-N 290.432 3.583 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc2cccnc12 1337558710 UQMFEERJSPRRIP-HNNXBMFYSA-N 280.371 3.806 30 20 CHED Cc1cnc([C@H](C)CNc2cc(C#N)cc(Cl)n2)s1 1339661728 WGKCEPVROGEWJF-MRVPVSSYSA-N 292.795 3.587 30 20 CHED C=C(C)CCC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 1336416646 MEZMRFCZSDPUEJ-CYBMUJFWSA-N 293.794 3.676 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2(C3CCCCC3)CC2)n1 1342513119 RGMRYRYUMAYGHE-ZDUSSCGKSA-N 288.416 3.988 30 20 CHED C=C[C@@H](C(=O)NC[C@@H]1CCCCC1(F)F)c1ccccc1 1347137622 XXZGPYSSWSICQL-LSDHHAIUSA-N 293.357 3.898 30 20 CHED C=C(CC)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 1346153305 OXORVISOBBXSHX-NSHDSACASA-N 251.757 3.826 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)OCc1ccc(C#N)cn1 1344507543 QFUATPBLOZEQGR-AWEZNQCLSA-N 286.375 3.769 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@H]2CCC[C@H]21 1343523875 RKCUOZYNNATMRR-VXGBXAGGSA-N 296.365 3.561 30 20 CHED C=C1CN(C(=O)Nc2ccc(OCCC(C)C)cc2)C1 1351400925 UBFJVBQNDBXHCK-UHFFFAOYSA-N 274.364 3.515 30 20 CHED N#Cc1ccsc1NC(=O)c1ccsc1C(F)F 1351858671 HYMNEZOXEVXKCS-UHFFFAOYSA-N 284.312 3.871 30 20 CHED Cc1cccc(NC(=O)[C@H](CC#N)c2ccccc2)c1C 1523691224 WHXBUQWLGIJUBD-MRXNPFEDSA-N 278.355 3.939 30 20 CHED C[C@H](Cc1cccs1)N(C)c1nc(C#N)c(Cl)s1 1458235745 YQMSZYCNMHDNHG-MRVPVSSYSA-N 297.836 3.797 30 20 CHED C[C@@H]1CCC[C@H](Nc2nc(C#N)c(Cl)s2)C1 1458096969 VYGSVMOBNIZQQX-SFYZADRCSA-N 255.774 3.659 30 20 CHED CC[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)O 1609930718 GUOWYKVZYRNBLN-INIZCTEOSA-N 296.326 3.626 30 20 CHED Cc1cc(CN[C@@H]2CCC[C@H](C3CC3)C2)ccc1C#N 1620976743 NUTODLAHPVTJIS-FUHWJXTLSA-N 268.404 3.925 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(F)cc(C#N)c1 1624287738 QJOHCAVJMYYYQU-AAEUAGOBSA-N 274.339 3.852 30 20 CHED CC(C)c1ccc(N(C)C(=O)Nc2ccnc(C#N)c2)cc1 1626720878 KCZRUOHWZFELHK-UHFFFAOYSA-N 294.358 3.745 30 20 CHED CCNc1ccccc1CNc1cccc(CC#N)c1 1620939848 XTDKNMBXOVGCQY-UHFFFAOYSA-N 265.360 3.797 30 20 CHED C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1cc2ccccc2o1 1632510702 KLSVIZQWSVMYAE-UGSOOPFHSA-N 296.370 3.689 30 20 CHED C[C@H]1[C@@H](c2ccccc2)CCN1CCc1ccc(C#N)cc1 1644756152 LQYGCCDQCGXZEW-JXFKEZNVSA-N 290.410 3.979 30 20 CHED Cc1cc(N[C@@H]2CCC(C)(C)C[C@@H]2C)ncc1C#N 1655219710 NIYFNMZEYFEQEE-GXTWGEPZSA-N 257.381 3.888 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)Cc1cccc(C#N)c1F 218075087 IVWQHIDWNLIEND-DOMZBBRYSA-N 260.356 3.708 30 20 CHED CO[C@H](CNc1ccc(Cl)c(C#N)n1)C1CCCCC1 1655711708 URZMHBBNAGWTOK-CQSZACIVSA-N 293.798 3.614 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CCCC[C@H]1C(=O)O 1776786742 ITXPHOUIIVFMEE-GJZGRUSLSA-N 297.439 3.839 30 20 CHED C[C@H]1CC(=NNc2ccc(CC(=O)O)cc2)CC(C)(C)C1 1776083481 JDXNOINEGPXRJU-LBPRGKRZSA-N 288.391 3.928 30 20 CHED Cc1ccc(/C=C/C(=O)c2cncc(F)c2)c(C)c1 150947986 UEPRBYSLAPIQKK-AATRIKPKSA-N 255.292 3.734 30 20 CHED CCn1nc(C)c(/C=C\C(=O)c2cc(C)ccc2OC)c1C 206848598 AXUNFLLPOCZMKX-HJWRWDBZSA-N 298.386 3.733 30 20 CHED COc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1C 206973314 PTZSZSCWLCCOIP-VURMDHGXSA-N 277.323 3.771 30 20 CHED CSc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1Cl 160280995 IYLLPCHSRMUHAS-UHFFFAOYSA-N 291.763 3.514 30 20 CHED CCN(C(=O)c1coc2ccccc12)c1ccc(C#N)cc1 151924305 HLGAKEBMBHMRTH-UHFFFAOYSA-N 290.322 3.971 30 20 CHED CCCCCCCS(=O)(=O)c1ccc(COC)cc1 151990524 BUGADMJESSJGOL-UHFFFAOYSA-N 284.421 3.577 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCc3c(C)cccc32)CC1 152952400 RQSMOGGZQPTHNN-IBGZPJMESA-N 284.447 3.612 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc(OC(C)C)cc1 152618878 FXJQDDVORWHUFP-JXMROGBWSA-N 284.359 3.586 30 20 CHED C#CCOc1cc(F)ccc1NC(=O)c1cc(C)ccc1C 155197321 FRWOSOCBLOGTCY-UHFFFAOYSA-N 297.329 3.707 30 20 CHED Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1sccc1C#N 154388464 WUTPRDQXMHOMIM-QWRGUYRKSA-N 288.397 3.732 30 20 CHED C[C@@H]1CN(c2c(Br)cccc2C#N)CC[C@H]1C 1651652255 SMOYKXBMQAIGIV-GHMZBOCLSA-N 293.208 3.803 30 20 CHED CC(C)c1cccc(OCC(=O)Nc2ccccc2C#N)c1 20261456 KUJWTHSLMYEFDS-UHFFFAOYSA-N 294.354 3.699 30 20 CHED C=CCCCCCCCN[C@@H]1CCN2CCC[C@H]2C1 810243831 VJVBAKGEYQPJDT-SJORKVTESA-N 264.457 3.729 30 20 CHED CCCC[C@H](CCC)NC[C@@H](O)c1ccc(C#N)cc1 226024851 KIMLEFROGMKKSO-DLBZAZTESA-N 274.408 3.540 30 20 CHED COCCCCCOc1ccc(Br)cc1C#N 123150431 ALAHFLGRHYUPKK-UHFFFAOYSA-N 298.180 3.516 30 20 CHED C=CCCN[C@@H](C)Cc1ccc(Br)cc1 235138888 UNLVBNLEPOMUTP-NSHDSACASA-N 268.198 3.546 30 20 CHED Cc1ccc(F)cc1CN[C@H](C)c1ccc(C#N)cc1 129021611 OUESNWJJCJIUEO-CYBMUJFWSA-N 268.335 3.857 30 20 CHED CC(C)CCC[C@H](C)NCc1cccc(OCC#N)c1 37231671 LNSNJSJPDKQTFG-HNNXBMFYSA-N 274.408 3.893 30 20 CHED CN(Cc1cc(C#N)ccc1F)[C@@H]1CCC(C)(C)C1 347323269 DNRFKKCGEMTHGG-CQSZACIVSA-N 260.356 3.708 30 20 CHED C=CCN(Cc1ccccc1)Cc1noc(CCCC)n1 53607857 JJZVSQFUGHKCMH-UHFFFAOYSA-N 285.391 3.600 30 20 CHED C=CCC[C@@H](CC)NCc1ccc(Br)o1 308962179 SGLVFFKUEHPKSN-SNVBAGLBSA-N 272.186 3.877 30 20 CHED C=CCC[C@H](CO)N[C@@H](CC)c1cccc(Cl)c1 321024459 OVOYKDFTEKYJHB-CABCVRRESA-N 267.800 3.708 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H]1CCC[C@H](C(C)C)CC1 331982432 MOWPHCKCOHIWQG-OFQRWUPVSA-N 264.413 3.647 30 20 CHED C[C@H](NCCSCC(F)(F)F)c1cccc(C#N)c1 344308428 YNJHYJSQXQNYBZ-JTQLQIEISA-N 288.338 3.504 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1cc2c(s1)CCCCCC2 470152295 QNJOOUNMBRHLPT-CYBMUJFWSA-N 290.432 3.685 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)C1[C@@H]2CCCC[C@@H]12 695714764 WPDMMSMQQDKPRI-VXGBXAGGSA-N 274.751 3.586 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(Cl)nc(Cl)c1 398123298 HKLQETOAVHNUCC-SECBINFHSA-N 287.190 3.863 30 20 CHED N#Cc1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 18054825 ZAVNZUWRMOYYSB-UHFFFAOYSA-N 274.663 3.912 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1 23010200 HGKLAFFMQXAQBU-JKSUJKDBSA-N 267.372 3.845 30 20 CHED N#Cc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1 30538173 LKVHINJJONEOIY-UHFFFAOYSA-N 278.359 3.687 30 20 CHED O=C(/C=C\c1ccc2nccnc2c1)c1ccccc1 33919515 MLZGULNJUUZRRX-CLFYSBASSA-N 260.296 3.526 30 20 CHED CSc1ccccc1NCc1cccc(C#N)c1 35040706 RJBJCLWYXJYDOU-UHFFFAOYSA-N 254.358 3.892 30 20 CHED CC(C)N(CCC#N)Cc1cccc(C(F)(F)F)c1 42530757 CHVSIVQLRYNSRI-UHFFFAOYSA-N 270.298 3.829 30 20 CHED C=CCn1c(SC[C@H]2CCCCO2)nc2ccccc21 43461725 XLXBXYFQSPOWBL-CYBMUJFWSA-N 288.416 3.884 30 20 CHED N#C[C@H](C(=O)CCc1ccc(Cl)s1)c1ccccn1 49458590 WLZONHNFQILLRA-NSHDSACASA-N 290.775 3.606 30 20 CHED CC[C@H](NC(=O)C1(C#N)CCCC1)C1CCCCC1 52343171 NXUFBJMLJVFSEI-AWEZNQCLSA-N 262.397 3.545 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccccc1C(F)(F)F 54178310 ILPFVMLAEIWGFU-VIFPVBQESA-N 285.269 3.519 30 20 CHED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CC2)cc1 55084636 DAVJZHBXCWDKFC-UHFFFAOYSA-N 293.326 3.634 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(F)c1 56212354 SLYSQTYTFLWECZ-UHFFFAOYSA-N 298.317 3.737 30 20 CHED C[C@H](OC(=O)c1cccc(C#N)c1)c1cccc(F)c1 56278602 MODMCOIJBBQEQK-NSHDSACASA-N 269.275 3.615 30 20 CHED CCOc1cc(C)ccc1NC(=O)Nc1ccc(C#N)cc1 56335012 YJHCHJRGNDURTH-UHFFFAOYSA-N 295.342 3.909 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2c(s1)CCCC2 57158038 NKFKENBVYAEEOC-UHFFFAOYSA-N 263.406 3.665 30 20 CHED CCCCCCCCCC(=O)N1CCCC[C@H]1CO 59252837 YSZOQUPNTWMGME-HNNXBMFYSA-N 269.429 3.501 30 20 CHED C#CCCOC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 62700576 QPNVZPBEIKXQLS-UHFFFAOYSA-N 299.395 3.536 30 20 CHED COc1ccc(CNCCC(C)C)cc1OCCCC#N 64613366 AVMMBWNABBHVFX-UHFFFAOYSA-N 290.407 3.513 30 20 CHED CC(C)c1ccc(-c2nnc(S[C@H](C)C#N)o2)cc1 66261171 YFNZRRZDWIQFPP-SNVBAGLBSA-N 273.361 3.864 30 20 CHED C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 66788854 RGGHYXLPYJUILB-YVEFUNNKSA-N 292.338 3.945 30 20 CHED Cc1ccsc1[C@@H](C)NCc1ccc(C#N)cc1 70091574 LUGHELCFSXDVOR-GFCCVEGCSA-N 256.374 3.779 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(C)c1Cl 72581813 PMWZGVFRWMOGIX-JTQLQIEISA-N 252.745 3.735 30 20 CHED C=C(Cl)CSc1nnc(-c2ccncc2)n1C1CC1 73191860 ZQJCDNFGKMJIJG-UHFFFAOYSA-N 292.795 3.520 30 20 CHED Cc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C)C#N 73853534 PASNJBNHEHLSRC-UHFFFAOYSA-N 270.254 3.502 30 20 CHED CCCCS(=O)(=O)/N=C(\O)[C@H](c1ccccc1)C(C)C 76762216 LTDNTSYTJBAHOO-AWEZNQCLSA-N 297.420 3.513 30 20 CHED N#C[C@@H](C(=O)c1ccc(OC2CCC2)cc1)c1ccccn1 76823984 SEAVBNGHUFPGKB-MRXNPFEDSA-N 292.338 3.503 30 20 CHED C=CCCNc1ccc(C(=O)NC(C)(C)CC)cc1 77245358 SVOVYCYXSVDRHK-UHFFFAOYSA-N 260.381 3.593 30 20 CHED N#CCN(C(=O)c1cc2c(s1)CCCC2)C1CCCC1 78003258 YLSUMNREWPTJTO-UHFFFAOYSA-N 288.416 3.535 30 20 CHED C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)c1cccs1 78119551 GOBMWNQLLIEJQU-GFCCVEGCSA-N 278.421 3.640 30 20 CHED C[C@H](NCc1ccc2ccccc2n1)c1ccc(C#N)cc1 79720733 ZETYIVDSUVXUTF-AWEZNQCLSA-N 287.366 3.957 30 20 CHED CCO[C@H](CCNCc1ccc(C#N)cc1)C1CCCC1 80248724 MOCUSZHKZQQQTE-GOSISDBHSA-N 286.419 3.633 30 20 CHED N#CC1(C(=O)N2CC3(CCCC3)c3ccccc32)CCC1 81578850 NISACNBZKRSGRK-UHFFFAOYSA-N 280.371 3.539 30 20 CHED COc1cc(C#N)ccc1CNc1cc(C)ccc1C 83492941 YDXIIQMFXFQBKY-UHFFFAOYSA-N 266.344 3.796 30 20 CHED CC(C)(C#N)CCCN1CCCc2ccccc2C1 87608719 YXIOPAMDAJMXLN-UHFFFAOYSA-N 256.393 3.765 30 20 CHED C=CCCCC(=O)N1Cc2ccccc2N(C)C[C@@H]1CC 88200888 DTILSXUBOHLGBA-INIZCTEOSA-N 286.419 3.600 30 20 CHED CCOc1ccc(C2=CCN(CCCCC#N)CC2)cc1 91800320 ABJGNVAFHLPAMQ-UHFFFAOYSA-N 284.403 3.868 30 20 CHED Cc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1C#N 96617938 HHDQBAVWSFOEKJ-UHFFFAOYSA-N 294.354 3.906 30 20 CHED C=CCOc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1 97403499 ZAHCSGKJGOBFQA-UHFFFAOYSA-N 287.403 3.902 30 20 CHED Cc1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)s1 103259431 RFDVSRVGFGDONC-FPLPWBNLSA-N 273.313 3.861 30 20 CHED C=CCSCCNCc1ccccc1C(F)(F)F 105462557 MKAUJXKIRROAGF-UHFFFAOYSA-N 275.339 3.714 30 20 CHED CCCCCCCCNC1CCC2(CC1)OCCO2 107775596 PMOWIPPFKZASEQ-UHFFFAOYSA-N 269.429 3.622 30 20 CHED CCOc1ccccc1NC(=O)Nc1ccc(F)c(C#N)c1 113565419 DXNUQUDAZYHRTM-UHFFFAOYSA-N 299.305 3.740 30 20 CHED C=CCS[C@@H](C)C(=O)Nc1ccccc1Cl 114757160 XNXJNFBQTVDVGN-VIFPVBQESA-N 255.770 3.586 30 20 CHED C=CC[C@@H](C)NC(=O)CCc1ccc2ccccc2c1 116855120 QAVBGOGQDSLNDI-CQSZACIVSA-N 267.372 3.853 30 20 CHED C=CC[C@H](C)NC(=O)Nc1cccc(N2CCCCC2)c1 117003174 DOQLSCYKBJQVQI-AWEZNQCLSA-N 287.407 3.763 30 20 CHED C=CCCCSCc1cc2ccccc2[nH]c1=O 117943700 CJFAJBCRLLGBEL-UHFFFAOYSA-N 259.374 3.728 30 20 CHED O=C(/C=C/c1ccc(Cl)c(F)c1)c1ccco1 118947685 YQBVPWJXABLALD-GQCTYLIASA-N 250.656 3.968 30 20 CHED O=C(/C=C/c1ccc(F)c(Cl)c1)c1cc(O)cc(O)c1 121370484 AJZBDKMQHJSONR-DUXPYHPUSA-N 292.693 3.786 30 20 CHED C=CCN(C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 121520909 LUBVJXSIFIRVDD-QGZVFWFLSA-N 298.361 3.623 30 20 CHED CC1(C)CCC/C(=C/c2cccc(C(=O)O)c2)C1=O 126470527 KKAFSWPSAJWTCT-XFXZXTDPSA-N 258.317 3.547 30 20 CHED CCC(=CC(=O)Nc1nc(C)c(SCC#N)s1)CC 127103773 ZWQWNPYIQDLCJX-UHFFFAOYSA-N 295.433 3.752 30 20 CHED Cc1ccsc1CCCC(=O)Oc1ccc(C#N)cc1 129341423 ZDMWMAUUWMHNST-UHFFFAOYSA-N 285.368 3.857 30 20 CHED Cc1ccnc(NCc2cccc(OCCCC#N)c2)c1 131130201 WDYMXVMTNRIUOR-UHFFFAOYSA-N 281.359 3.685 30 20 CHED COc1ccc(/C=C2/Cc3c(F)cc(F)cc3C2=O)cc1 131170639 JDVWXDORGCVGTK-WDZFZDKYSA-N 286.277 3.796 30 20 CHED C[C@@H](OC(=O)c1cc2ccccc2s1)C(C)(C)C#N 131732316 QFCREVWIUBRPEK-SNVBAGLBSA-N 273.357 3.996 30 20 CHED Cc1ccccc1CCC(=O)Nc1ccc(F)cc1C#N 135159138 DDUOJPWZBIFSMU-UHFFFAOYSA-N 282.318 3.577 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2ccc(F)cc2C#N)c1 135185815 GPSWJVVFZLSRFR-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1ccc(F)c(NC(=O)c2c(F)cc(C#N)cc2F)c1 151903730 WZXRADLPZQCMEA-UHFFFAOYSA-N 290.244 3.536 30 20 CHED Cc1cc(OC[C@@H](C#N)CCC#N)ccc1C(C)C 152771551 ABTKSLZNTWEKOJ-CQSZACIVSA-N 256.349 3.941 30 20 CHED CC(C)c1ccc(N(C)C[C@@H](O)c2ccc(C#N)cc2)cc1 158244307 UYRRJKPGMQXSDX-LJQANCHMSA-N 294.398 3.851 30 20 CHED CC#CCCN[C@H](C)CCc1ccc(OC(F)F)cc1 158324957 OTFKRLVNJOBFLR-CYBMUJFWSA-N 281.346 3.612 30 20 CHED Cc1ccccc1CN(C)C(=O)c1ccc(C#N)c(Cl)c1 159862505 SZJZAWGXYPLPNT-UHFFFAOYSA-N 298.773 3.792 30 20 CHED Cc1cc(C)c(C#N)c(N2CC=C(C(C)(C)C)CC2)n1 160767642 ZESJFNOSGRYJEH-UHFFFAOYSA-N 269.392 3.753 30 20 CHED COc1ccc([C@H](NCCCCC#N)C(C)C)cc1 161705404 PNZBDIWMJLWTPT-MRXNPFEDSA-N 260.381 3.676 30 20 CHED Cc1c(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cnn1C 164805425 LYPPCMDKGVJTJU-VMPITWQZSA-N 294.276 3.643 30 20 CHED CC#CCCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 168730308 CMSDHKWRIQEOFC-JGAFYBCUSA-N 273.420 3.513 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CCCC(C)(C)C1 171863660 LQZHSSKYNIWTLM-UHFFFAOYSA-N 271.364 3.521 30 20 CHED C=CCCCC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 175401669 XAMGYTUXGVUBMW-CYBMUJFWSA-N 288.391 3.510 30 20 CHED N#Cc1ccc(F)c(CNC(=O)CC2CCCCCC2)c1 177346537 HWTGNADUWGBETL-UHFFFAOYSA-N 288.366 3.674 30 20 CHED CC[C@H](C(=O)Nc1cccc(C#N)c1C)c1ccccc1 178637884 GSAXPPOGFGJWES-INIZCTEOSA-N 278.355 3.999 30 20 CHED Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CC#N)c1ccccc1 178682388 AVLCNVPWJYHILF-CABCVRRESA-N 296.395 3.717 30 20 CHED CC(C)COC[C@@H](NCc1ccccc1C#N)c1ccco1 179081359 ZEZICWXDSXHKGU-QGZVFWFLSA-N 298.386 3.655 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 181171855 BFDXHTAQVWJGQG-IRXDYDNUSA-N 286.419 3.615 30 20 CHED CC(C)CCN(CCC#N)CCC(=O)c1ccccc1 182391675 YRJRLCMTHZZQAT-UHFFFAOYSA-N 272.392 3.521 30 20 CHED C=CCCC[C@H](C)NC(=O)Cc1ccccc1OC(F)F 182642203 YCBABBXKNWFRMT-LBPRGKRZSA-N 297.345 3.692 30 20 CHED CCC[C@H]1CCCCN1C(=O)Nc1ccc(C#N)cc1 182732106 ODHQNLHPQOZHDZ-HNNXBMFYSA-N 271.364 3.745 30 20 CHED C=C[C@H](CC(=O)N1CCCC[C@@H](C)C1)c1ccccc1 184380398 ZLVZHKVJMVGHHZ-HZPDHXFCSA-N 271.404 3.995 30 20 CHED CC/C=C/CCn1nc(C(C)(C)C)c(CCC#N)c1O 184438804 VNFCRWGRVKOTSY-VOTSOKGWSA-N 275.396 3.699 30 20 CHED CC#CCCCC(=O)N(C)[C@@H](CC)Cc1ccccc1 185676120 QYVNOWXOUXUSPQ-KRWDZBQOSA-N 271.404 3.660 30 20 CHED CC(C)(C#N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 185920952 CXHZAXKGIIAVJK-UHFFFAOYSA-N 290.794 3.596 30 20 CHED C=CCCN(OCc1ccccc1)[C@H](C)c1cnccn1 187393151 BOCFOWBOCVFFLH-OAHLLOKOSA-N 283.375 3.548 30 20 CHED C=CCC1(C(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)CCC1 188460756 AQBDFCAODPZKOF-ZIAGYGMSSA-N 281.465 3.865 30 20 CHED Cc1oc2ccccc2c1CN[C@H]1CCC[C@@H](C#N)C1 193296750 BCBLOIPNZSWADB-KGLIPLIRSA-N 268.360 3.913 30 20 CHED C#Cc1cccc(NCc2nc(-c3ccccc3)c[nH]2)c1 194409249 UWNXIJPHWXOFTO-UHFFFAOYSA-N 273.339 3.670 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2sccc2C#N)cc1 194595499 KAHDIWRZICDFJE-UHFFFAOYSA-N 295.367 3.673 30 20 CHED Cc1cc(COC(=O)c2ccc(C#N)cc2)c(C)s1 194828073 NJKBYDVYPNEWCV-UHFFFAOYSA-N 271.341 3.594 30 20 CHED C[C@H](N[C@H](C)CC(F)(F)F)c1ccc(OCC#N)cc1 221980148 XPNIQSSYYVRMBG-MNOVXSKESA-N 286.297 3.580 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@](C)(O)CC1 230369223 FZISQCQQCJPVIP-MRXNPFEDSA-N 269.429 3.501 30 20 CHED N#CCc1ccc(NCc2ccc(-n3cccn3)cc2)cc1 237835269 ZLQMVBJBIZACPO-UHFFFAOYSA-N 288.354 3.550 30 20 CHED N#C[C@H](C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccccn1 245959907 XITHCBFKILDRGN-FPCVCCKLSA-N 282.387 3.864 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2cccnc2Cl)c1 255037303 AJZOLEZYJDNPTC-SREVYHEPSA-N 268.703 3.503 30 20 CHED CN(C)c1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1 255068463 OOVKPMJBIJDCFO-NTEUORMPSA-N 281.330 3.714 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1ccc(Cl)cc1 255676497 JWYLAOLBPLIQMJ-HJWRWDBZSA-N 282.730 3.884 30 20 CHED N#CCCN(CC1CC1)C(=O)c1ccc(Cl)c(Cl)c1 264108996 VDYWBZVSMSEJFM-UHFFFAOYSA-N 297.185 3.759 30 20 CHED CCN(CC#N)Cc1nc2ccccc2c(C)c1Cl 264194075 NRGKFLNKABTSDH-UHFFFAOYSA-N 273.767 3.542 30 20 CHED N#Cc1cccnc1N1CC[C@@H](CSc2ccccc2)C1 266204588 KIKYPIGIHNNOFL-CQSZACIVSA-N 295.411 3.572 30 20 CHED CSCCCCC(=O)Nc1ccc(C#N)cc1Cl 269203056 BCWZRPXKMFLSHM-UHFFFAOYSA-N 282.796 3.683 30 20 CHED COCC[C@H](C)Sc1ccc(C#N)cc1Cl 269920485 ANQTVFBTCFSVAS-VIFPVBQESA-N 255.770 3.729 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(C#N)cc1 271267057 BVSIWCZMYTUQTI-ACJLOTCBSA-N 298.361 3.563 30 20 CHED C=CCCc1nc(Cc2c[nH]c3c(C)cccc23)no1 273897344 LXJJDQCVLZRRGV-UHFFFAOYSA-N 267.332 3.569 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccsc1Cl)OCC 275606621 HOYQDNPYULNKSF-JTQLQIEISA-N 273.785 3.711 30 20 CHED C=CCCCN(C)C(=O)Nc1ncc(C(F)(F)F)s1 276521737 LLKGIESZNWVJBJ-UHFFFAOYSA-N 293.314 3.592 30 20 CHED C#CCC1(C(=O)O[C@H]2CCc3cccnc32)CCCCC1 277032033 BBOJDRVBXXZVDW-HNNXBMFYSA-N 283.371 3.586 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)C[C@H]1C 279557962 UECARUWXXBCIPU-QAPCUYQASA-N 299.414 3.597 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1CCC(=O)[C@H]1C 280780285 NKYJUKQTDOJSGQ-RDJZCZTQSA-N 299.414 3.597 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 281618489 NNYLTAPQWSONAL-GXTWGEPZSA-N 293.407 3.718 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@H](c1nc(C)cs1)C1CC1 281940884 SFXIWBTZGIEYHS-STQMWFEESA-N 293.436 3.557 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cc(C)c(C)o2)CC1 282229711 PHRBSHNICYPIHE-CQSZACIVSA-N 276.424 3.588 30 20 CHED C=CCCO[C@H](C)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 286627832 RUPPUXBWHUCOME-ZMSDIMECSA-N 287.403 3.577 30 20 CHED C=C(CNC(=O)N(C)[C@@H](C)CCC)c1ccccc1 287966951 IKBKWPLBNOJZHK-AWEZNQCLSA-N 260.381 3.530 30 20 CHED C[C@H](NCCCC#N)c1csc(-c2ccccc2F)n1 291236694 OLDHISMKTHSULC-NSHDSACASA-N 289.379 3.904 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)C1(c2ccccc2)CCCC1 291371089 DAOAXPDGHIBBGS-OAHLLOKOSA-N 284.403 3.553 30 20 CHED CC(C)(NCc1ccc(OCC#N)cc1)c1ccccc1F 292173353 PVVKBRDPPACMKI-UHFFFAOYSA-N 298.361 3.753 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(Br)ccc1F 294432877 GPBIYJZYCNSTEF-UHFFFAOYSA-N 286.144 3.739 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)c1cccs1 294439738 ZXFLERXWZGZMQI-NSHDSACASA-N 251.395 3.570 30 20 CHED N#CC[C@@H]1CC[C@H](N[C@H]2CCCc3nc(Cl)ccc32)C1 296448798 MQZSQRWQASPTGU-OBJOEFQTSA-N 289.810 3.784 30 20 CHED C=C(C)CCc1noc([C@H](Cc2ccccc2)OC)n1 296858128 NLVBBQMJKOKKCD-AWEZNQCLSA-N 272.348 3.509 30 20 CHED N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 301650130 JJUXOBYOJBRPDF-GUTXKFCHSA-N 276.767 3.581 30 20 CHED Cc1c(C)c(C)c(CNc2nccnc2C#N)c(C)c1C 301782891 NSFRAPMOFJLAOO-UHFFFAOYSA-N 280.375 3.502 30 20 CHED CCCN(Cc1ccc(C#N)cc1)c1cc(CC)nc(C)n1 302124464 ZFDIWVMPRFUKNH-UHFFFAOYSA-N 294.402 3.636 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)OCCCC 303467895 PUSYEODWGKFJPY-HNNXBMFYSA-N 281.440 3.787 30 20 CHED Cc1ccc(N/C(N)=N\C[C@@H](C)c2cccc(C)c2)cc1 304811333 XDAXDSHEYUFDLL-OAHLLOKOSA-N 281.403 3.834 30 20 CHED N#Cc1ccc(NC(=O)c2cccc(F)c2Cl)cc1F 307958075 HUSVSTBNWAITMZ-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CC[C@H](C)[C@H](C)Nc1ncc(Br)cc1C#N 309259031 CWTIQBUKKMINGR-IUCAKERBSA-N 282.185 3.562 30 20 CHED Cc1nc(NCCOC2CCCCC2)c(Cl)cc1C#N 312660705 ZXNPFPJLWUIHCR-UHFFFAOYSA-N 293.798 3.676 30 20 CHED CCc1cc(CC)nc(N[C@H](C)c2ccc(C#N)cc2)n1 315654242 XUYKUJKRMNWGOM-GFCCVEGCSA-N 280.375 3.646 30 20 CHED CC(C)c1cnc(N=C(O)[C@@H]2CCC(=O)[C@H](C)C2)s1 328934843 FJHCWGORUIWLGP-NXEZZACHSA-N 280.393 3.860 30 20 CHED Cc1nc(C)c(/C(O)=N/CC2(c3ccncc3)CCCC2)o1 329055572 MAULNNBVJXXWQM-UHFFFAOYSA-N 299.374 3.503 30 20 CHED CCC[C@H](/C(O)=N/[C@H](C)[C@H]1CCCOC1)c1ccccn1 329394697 VHWWITSRKPAOIR-ILXRZTDVSA-N 290.407 3.737 30 20 CHED CC(C)c1nnc(N=C(O)CC[C@H]2CCCCN2C)s1 330293327 HRVAFDGAGUWXGI-LLVKDONJSA-N 296.440 3.514 30 20 CHED COc1cnc(N=C(O)N(C)[C@@H](C)C2CCCCC2)s1 330731460 QMBDNTDISXSIKP-JTQLQIEISA-N 297.424 3.598 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCc1ccc(F)c(F)c1)CC2 335823634 LFOJLCPEAIGRHG-QGZVFWFLSA-N 284.309 3.614 30 20 CHED COc1cccc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 336359332 LHJLSLNUSCQABH-PBHICJAKSA-N 284.403 3.567 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1C1CCCC1 338163804 ZZTNBTAJESXXBR-QGZVFWFLSA-N 282.387 3.662 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1c(C)cc(C)cc1C)OCC 339203528 OWECRQHQGUIMLN-OAHLLOKOSA-N 275.392 3.922 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc(Oc2ccncc2)cc1 339390304 AMSNMXDOKWWURB-UHFFFAOYSA-N 295.342 3.752 30 20 CHED CC(C)COc1ccccc1CNc1cc(C#N)ccn1 341586754 CAWHQXKJWJLCPH-UHFFFAOYSA-N 281.359 3.600 30 20 CHED CC(C)(C#N)CCSCc1nc(C(C)(C)C)no1 341904567 UNXATGOOZIBFSQ-UHFFFAOYSA-N 267.398 3.540 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(OC(F)(F)F)cc1 343566383 SCTONBNEVHGUPP-JTQLQIEISA-N 284.281 3.540 30 20 CHED CC(C)CC1(CNCc2ccc(C#N)cc2F)CC1 344634545 YOWIEHQMHBNOFP-UHFFFAOYSA-N 260.356 3.613 30 20 CHED CC[C@@H](NCCc1cccc(C#N)c1)c1ccccc1F 348338339 GUCUCHWAXBVCQO-GOSISDBHSA-N 282.362 3.981 30 20 CHED C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 351115248 MCBAJAPNTYPSHO-DZGCQCFKSA-N 288.439 3.747 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC(C)(C)C1 352181308 BJDZYXKVUIAYPY-CYBMUJFWSA-N 271.364 3.567 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cccc(C#N)c1 353549431 DNRYOPJHYKXDCJ-XJKSGUPXSA-N 299.418 3.572 30 20 CHED C=CCN(CCC#N)C(=O)c1ccc(Cl)c(Cl)c1 359425308 IRTHVFNJQJGDSY-UHFFFAOYSA-N 283.158 3.535 30 20 CHED Cc1c(Cl)cnc(N2CCCC3(CCC3)C2)c1C#N 359740473 SKAXWXXRGSOZNX-UHFFFAOYSA-N 275.783 3.686 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCC(F)(F)F 360646665 JPNYPZZSPYUWKG-CQSZACIVSA-N 282.309 3.868 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 361219536 FJZVRPSDBFPXAU-WBMJQRKESA-N 295.329 3.507 30 20 CHED C=CCCCC(=O)N1CC(Cc2ccccc2Cl)C1 374534730 NURVBJOGEBXWKB-UHFFFAOYSA-N 277.795 3.697 30 20 CHED CCC(CC)n1ccc(CNc2ccc(C#N)cc2OC)n1 388942890 XMBCRJGEXCDSDG-UHFFFAOYSA-N 298.390 3.737 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2[nH]c(C)c(C)c2c1 393812612 NTZIOZOHNOWPDG-AWEZNQCLSA-N 270.376 3.869 30 20 CHED C=C(Br)CNC[C@@H]1CCC[C@H](CC)C1 394609782 IQPSZUIQEAKPKD-NWDGAFQWSA-N 260.219 3.701 30 20 CHED C=C(C)CCNC(=O)c1cc(C(F)(F)F)ccc1F 395343368 ZLYCJSJCIFLROF-UHFFFAOYSA-N 275.245 3.541 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 398170666 LFJQMMKDNZEPNY-STQMWFEESA-N 262.353 3.990 30 20 CHED C=CC[C@H](CC)NC(=O)c1cncc(-c2ccccc2)c1 410130060 IZNVCENJGGJCAH-KRWDZBQOSA-N 280.371 3.833 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N2CCCc3cc(C#N)ccc32)C1 411003932 VLIXGXIVGBNWFT-ZIAGYGMSSA-N 282.387 3.664 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)C1(C#N)CCCCC1 412802768 BLXZONVSGZIZGR-KGLIPLIRSA-N 276.424 3.791 30 20 CHED CN(C(=O)CC(C)(C)C#N)[C@@H]1CCC[C@@H]1C(C)(C)C 416295288 SZTDEADZNHPELJ-QWHCGFSZSA-N 264.413 3.599 30 20 CHED CC[C@H](NC[C@@H](CC(C)C)OC)c1ccc(C#N)cc1 417329114 CXWHVILHZSCPNF-SJORKVTESA-N 274.408 3.660 30 20 CHED N#Cc1csc(CSCc2nc(C3CC3)cs2)n1 419468112 ZQMDRJHPSNVYHA-UHFFFAOYSA-N 293.442 3.782 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CC(F)F)c1ccccc1 420923207 WTDVVQHYENSEPY-YPMHNXCESA-N 282.334 3.647 30 20 CHED CCC[C@@H](NCc1ccc(C#N)s1)c1cccnc1 421893143 WVJRIQZOGQGBNJ-OAHLLOKOSA-N 271.389 3.646 30 20 CHED N#C[C@@H]1CC[C@H](NC2CCC(c3ccccc3)CC2)C1 424326014 LQXFOAINRBFLCA-LTDKPHRXSA-N 268.404 3.995 30 20 CHED N#CCC1(CNC2CCC(c3ccc(O)cc3)CC2)CC1 430772971 PFTITRPTLIDVTB-UHFFFAOYSA-N 284.403 3.702 30 20 CHED CN(CC(C)(C)C#N)C(=O)Nc1cccc(C(F)(F)F)c1 432471107 WMYNMQBJAWGMRC-UHFFFAOYSA-N 299.296 3.719 30 20 CHED N#Cc1cccc(CN[C@H](c2ccccc2)C(F)F)c1 433046680 VJSCNGNINAKJDK-OAHLLOKOSA-N 272.298 3.654 30 20 CHED C[C@]1(CCc2ccccc2)CCN(c2ccc(C#N)nc2)C1 433658084 DXSZAIPZDLTYAY-IBGZPJMESA-N 291.398 3.802 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC#Cc1ccc(F)cc1 438175372 INOUQMLGHCPSJA-UWWQBHOKSA-N 271.379 3.830 30 20 CHED CC(C)n1cnnc1SCc1ccc(C#N)cc1Cl 438817301 FCSGIAWIIDMHEO-UHFFFAOYSA-N 292.795 3.676 30 20 CHED Cc1cncc(CN(CC(C)C)c2ccc(C#N)cc2)c1 442674273 VTJYVJQDIOIZDA-UHFFFAOYSA-N 279.387 3.924 30 20 CHED C=C(C)CN(C)C(=O)CC(C)(C)CC(=O)c1ccccc1 442881074 GPPBSZXMXPXFEC-UHFFFAOYSA-N 287.403 3.710 30 20 CHED COc1ccc(C2(NCCCCC(C)(C)C#N)CC2)cc1 444677190 WBQCFLSQGSNUTF-UHFFFAOYSA-N 286.419 3.994 30 20 CHED Cc1cccc(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1C 448283992 QAVIGRAGWWGHPU-OALUTQOASA-N 298.430 3.731 30 20 CHED C=CCCCC[C@H](C)NCC1(CCO)CCCC1 449169443 DCKUFYYHJFOORF-HNNXBMFYSA-N 253.430 3.654 30 20 CHED C=CCC1(CNCc2ccc([S@](C)=O)cc2)CCCC1 449605574 NQLINONKEWRKFB-FQEVSTJZSA-N 291.460 3.650 30 20 CHED C=CCC1(C(=O)N2CCC(C(F)F)CC2)CCCC1 450150958 FQKGYVPJRAHIEI-UHFFFAOYSA-N 271.351 3.627 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1c1cc(C#N)ccn1 450603660 USWRYKXJUJFUQJ-CPUCHLNUSA-N 277.371 3.724 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 451002374 JEPKSMWNPBOHBL-HZPDHXFCSA-N 271.404 3.726 30 20 CHED C=C[C@H](CC(=O)NC[C@@H](OC)[C@@H](C)CC)c1ccccc1 452411141 LTLJHDCTJRQZIL-ZMSDIMECSA-N 289.419 3.524 30 20 CHED C=CCSc1ccccc1C(=O)N[C@H](C)C(C)(F)F 452883527 YLOAAJNIIMOIIO-SNVBAGLBSA-N 285.359 3.738 30 20 CHED C=CCC1(c2nc([C@H]3CCCO3)no2)CCCCC1 453038132 AIZJBVYNEFLSAM-GFCCVEGCSA-N 262.353 3.699 30 20 CHED C=CC(C)(C)CN[C@H]1CCCOc2ccc(OC)cc21 453303862 DKDBTDSZPYPZIQ-HNNXBMFYSA-N 275.392 3.711 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccc(Cl)s1 453354285 KTLQSUABVMHNLT-MXWKQRLJSA-N 271.813 3.786 30 20 CHED CCC[C@@H]1CCCC[C@H]1CNC(=O)NCCCCC#N 454450563 HWNAUAMQEOEMSO-CABCVRRESA-N 279.428 3.586 30 20 CHED CC[C@]1(C)CCN(C(=O)Nc2cc(C)cc(C#N)c2)C1 456006317 QAIBAWWHBCDRKD-MRXNPFEDSA-N 271.364 3.521 30 20 CHED CC(C)Cc1nc(C(=O)Nc2cccc(CC#N)c2)cs1 456733341 OEVWATBVTNFYCN-UHFFFAOYSA-N 299.399 3.660 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2cccc(CC#N)c2)C1 456752326 OWYNIJDRFYOBMY-CQSZACIVSA-N 270.376 3.908 30 20 CHED CCCC[C@H](CCC)NC(=O)N(C)CC(C)(C)C#N 458483249 ABICWTZOSMKXTQ-ZDUSSCGKSA-N 267.417 3.536 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N(CC)CC1CCC1 460377486 YOHKATGEEKGPLJ-UHFFFAOYSA-N 276.428 3.604 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)CCCC 460653947 BKYFFMBDQJACCT-KBPBESRZSA-N 254.418 3.951 30 20 CHED C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 461910376 ZFCVAHLSZQUXHO-GRDNDAEWSA-N 284.403 3.699 30 20 CHED C=CCOc1ccc(Oc2nc(CCC)ns2)cc1 461945389 CBZRTXDJTGLUKB-UHFFFAOYSA-N 276.361 3.848 30 20 CHED C[C@H](C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)c1cccc(C#N)c1 462117570 CAXKAMIJKJYWKD-LTCOOKNTSA-N 296.414 3.841 30 20 CHED C[C@H]1CCN(c2ccc(C#N)nc2)CC12CCCCC2 462698043 PZSDKDCCLLAFSL-AWEZNQCLSA-N 269.392 3.750 30 20 CHED CCC1(CC)CN(c2nc(C)cc(C)c2C#N)CCS1 463735863 UKHYZCFAZNPUKK-UHFFFAOYSA-N 289.448 3.682 30 20 CHED CCCN(C(=O)[C@H](C)c1cccc(C#N)c1)C(C)(C)C 464277374 RAHOQCWVQACQPA-CYBMUJFWSA-N 272.392 3.699 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)c1ccccc1 464517550 DORRKQICVARFRV-HOTGVXAUSA-N 257.377 3.747 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@H](c2cccc(C)c2)C1 466382400 GMRXDIJNFTUYNC-DLBZAZTESA-N 286.419 3.849 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCCOc1ccc(F)cc1 467925637 ANPVQBJCDYXSPW-QGZVFWFLSA-N 293.382 3.655 30 20 CHED C=C[C@@](C)(CC)C(=O)NCC1(CC(C)C)CCC1 467993313 HOQMYNOBFHPUHG-HNNXBMFYSA-N 251.414 3.921 30 20 CHED N#C[C@@H]1CC[C@@H](NC2CCC(c3ccccc3)CC2)C1 471596658 LQXFOAINRBFLCA-AGERRDQYSA-N 268.404 3.995 30 20 CHED C=CCCC[C@H](C)NC(=O)N(CC)CC1CCC1 474664411 LAPROTOREZGIBX-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=CCc1cc(CNC[C@@H]2CC[C@@H](C)C2)cc(OC)c1O 475564583 URMQTDFVNLNJGL-ZIAGYGMSSA-N 289.419 3.655 30 20 CHED CCCC[C@@H](CC)CC(=O)Nc1ccc(C#N)c(C#N)c1 477445037 HCZZJIFIIHKKQA-CYBMUJFWSA-N 283.375 3.975 30 20 CHED C=CCN(CC1CCCCC1)C(=O)CC[C@@H]1CCCO1 482882604 REUOJBQTBUNPBA-INIZCTEOSA-N 279.424 3.541 30 20 CHED C=CCCC1(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)CC1 484137070 UPHXDYRUPHQGSM-VXGBXAGGSA-N 289.341 3.922 30 20 CHED CCSc1cccc(CNc2nccc(C)c2C#N)c1 488716306 RMTYTZACPWJGIO-UHFFFAOYSA-N 283.400 3.986 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H]1COc2ccc(Cl)cc21 488803151 PFGFCYQFGSOUQP-SMDDNHRTSA-N 293.794 3.677 30 20 CHED C=CCn1cccc1C(=O)NC[C@@H](C)c1cccc(C)c1 488968725 CJIFQQGWMUYEPB-OAHLLOKOSA-N 282.387 3.516 30 20 CHED C=CCN(C)C(=O)c1cccc(-c2c(F)cccc2F)c1 490036480 HTMRIVMJBOXKLD-UHFFFAOYSA-N 287.309 3.890 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ccccc1Cl 490041373 RMUJMNBWXQZIHT-UHFFFAOYSA-N 279.811 3.991 30 20 CHED C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1ccccc1C(C)C 491338313 HUCMSCAKRBXDIG-CABCVRRESA-N 286.419 3.529 30 20 CHED C=CCN(CCc1ccco1)C(=O)N[C@H](C)C[C@H](C)CC 497519531 NMAGRRTWRRJBBU-HUUCEWRRSA-N 292.423 3.844 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(N(C)C)c1C 497918602 RMTNFQZUAJTGBG-UHFFFAOYSA-N 260.381 3.602 30 20 CHED Cc1ccc(C)c(C(=O)[C@H](C)Sc2ccc(C#N)cn2)c1 498143810 FKTLSNPLUGCYLK-ZDUSSCGKSA-N 296.395 3.934 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@@H](C)[C@H](C)CC 504576776 CLCGFGPHSKBKPZ-KGLIPLIRSA-N 263.381 3.519 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 508923024 SOCKTMSBWRLVGC-QGZVFWFLSA-N 290.455 3.679 30 20 CHED C[C@H](c1cccc(C#N)c1)N1C[C@H]2CCC[C@@H](C2)C1 511806567 KEIGFSPFPNTHIO-KBMXLJTQSA-N 254.377 3.741 30 20 CHED CC1(Cc2noc(Cc3ccc(C#N)cc3)n2)CCCC1 516996558 RQBORDJVNQHWQE-UHFFFAOYSA-N 281.359 3.655 30 20 CHED C=CC[C@H](C)NC(=O)N(CC)Cc1ccc(Cl)cc1 523949221 PZNLGLKXVPXHOI-LBPRGKRZSA-N 280.799 3.836 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cocc1C 527860115 TTYSWZZOMQGKAV-UHFFFAOYSA-N 282.343 3.512 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 528101377 PKTUYQZOHJLNPY-JEBQAFNWSA-N 299.414 3.502 30 20 CHED C=C(C)Cn1c(-c2ccccc2)c(CC)sc1=O 531173087 FYUXEFXCQYDKJQ-UHFFFAOYSA-N 259.374 3.715 30 20 CHED C=C(C)[C@@H](CC(=O)N(CCCC)[C@H](C)CC)OCC 533710265 MDCWRKMVELFTQV-HUUCEWRRSA-N 269.429 3.785 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(F)cc1C 537164922 RFOMJIOODMGKRP-UHFFFAOYSA-N 279.355 3.836 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(CC)c(C)c1 537653070 GWXBEOUZMZYRTA-HNNXBMFYSA-N 288.435 3.782 30 20 CHED C=C(CC)CSCC(=O)Nc1cc(C)cc(C)c1 540193300 PINYEIDZKJJAIN-UHFFFAOYSA-N 263.406 3.941 30 20 CHED C=C(CC)CSc1nc2sc(C)c(C)c2c(=O)n1C 540216804 DMYDANJTDAEMGE-UHFFFAOYSA-N 294.445 3.670 30 20 CHED C[C@@H]1CC(NC(=O)c2ccc(Cl)c(C#N)c2)C[C@@H](C)C1 541581636 OFNNCGFTEDVUHF-QWRGUYRKSA-N 290.794 3.766 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)N[C@](C)(C#N)C(C)(C)C 545919651 UNPDTDLXQGKNPS-DVOMOZLQSA-N 264.413 3.647 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)C1(C#N)CCCCC1 546868658 FOQBQVONOIIAQD-OAHLLOKOSA-N 284.403 3.955 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(C(C)C)s1 551466519 ONBQZRPKXUXQFF-UHFFFAOYSA-N 252.383 3.807 30 20 CHED Cc1cc(N(C)[C@@H](C)c2cc(F)ccc2F)cc(C#N)n1 552964294 XAENBQZDUDZAED-NSHDSACASA-N 287.313 3.737 30 20 CHED CC(C)(C)c1ccc2c(c1)CN(c1cc(C#N)ccn1)CC2 553516353 BIQYQZXAJFIDLK-UHFFFAOYSA-N 291.398 3.813 30 20 CHED CC(C)(C#N)CCNC1[C@H]2CC[C@H]1Cc1ccccc1C2 553936927 DDJZQHSWZKGBOE-IRXDYDNUSA-N 282.431 3.709 30 20 CHED C=CCc1cc(CN2[C@H](C)CC[C@H]2CC)cc(OC)c1O 554887844 DTZULAYYOUITLV-CZUORRHYSA-N 289.419 3.892 30 20 CHED CCCCOc1ccc(CN(C)CC(C)(C)C#N)cc1 556909301 AZAUSXHKHWYBDQ-UHFFFAOYSA-N 274.408 3.847 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3cc(C)nc(C#N)c3)C2)cc1 557673097 CRHZUAYVMHIMOT-DOTOQJQBSA-N 291.398 3.953 30 20 CHED CC[C@@H]1CC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 558256659 UYOMXRFRSLFYSO-UKRRQHHQSA-N 281.321 3.835 30 20 CHED CC(C)(C#N)CC[S@](=O)Cc1c(F)cccc1Cl 558721184 DDWCMAGTFFCXSC-SFHVURJKSA-N 287.787 3.668 30 20 CHED C=CCC[C@H](NCCN1CCC(C)CC1)c1ccco1 560514295 JTIRSAKAFQCLIH-INIZCTEOSA-N 276.424 3.608 30 20 CHED C=CCOc1ccc(CN[C@@H]2CC[C@H](F)C2)cc1Cl 564116947 QQIHHTDWMPFWFQ-QWHCGFSZSA-N 283.774 3.885 30 20 CHED CC[C@@H](CC#N)NCCCOc1cccc2ccccc12 565171940 JRAWIFPDIFQRIW-INIZCTEOSA-N 282.387 3.891 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(F)cccc1Cl 568388037 AOWDVLCFKGWVNO-MRVPVSSYSA-N 256.708 3.565 30 20 CHED C=CCCCCn1cc(C#N)c(=O)c2cc(Cl)ccc21 571851857 BJDWKDANVCBTQK-UHFFFAOYSA-N 286.762 3.883 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-c2cccs2)o1 581748425 YZCQAFYTZIKIQR-ZDUSSCGKSA-N 288.372 3.676 30 20 CHED C=CCCCCN1CCC[C@H]1c1ccc(COC)o1 582222294 FGTQBRQVCIMLGJ-HNNXBMFYSA-N 263.381 3.919 30 20 CHED N#CCCCCCC(=O)Nc1ccc(Cl)cc1F 588146967 UCIRVBZECLDEDU-UHFFFAOYSA-N 268.719 3.892 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 589514756 KQRCMFPVYLYFIQ-SWLSCSKDSA-N 294.320 3.951 30 20 CHED CC(C)(CC#N)CNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 590949440 SBSRMUZWQXUBQP-HNNXBMFYSA-N 299.418 3.719 30 20 CHED CC(C)CCN(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 591407443 DGYHJSMYYVAXLY-KRWDZBQOSA-N 299.418 3.623 30 20 CHED CCCC(C)(C)C(=O)Nc1nc(C)c(SCC#N)s1 593030471 OPGHPVVSNUBUIJ-UHFFFAOYSA-N 297.449 3.832 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC(C)(C)C1 594008978 RKIXYIZXJXKWTM-YOEHRIQHSA-N 298.430 3.822 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CCc1ccc(C(C)C)cc1 594089877 WPDHEFFQKAVYRY-INIZCTEOSA-N 272.392 3.503 30 20 CHED N#CCC1(CSc2c(F)cc(F)cc2F)CC1 594886378 OMMZRLSDYVQEGL-UHFFFAOYSA-N 257.280 3.890 30 20 CHED C=CCCSCCNCc1c[nH]nc1-c1cccs1 594959991 HODJJJCTPBYPDN-UHFFFAOYSA-N 293.461 3.537 30 20 CHED Cc1ccc2c(c1)CCN([C@@H](C#N)c1ccccc1)C2 595456337 VADXQKIFQCYZTH-SFHVURJKSA-N 262.356 3.618 30 20 CHED C=CCC1(NCCc2ccc(C#N)cc2)CCCC1 595780514 UEYCXHCTDNLPBZ-UHFFFAOYSA-N 254.377 3.579 30 20 CHED N#CC1(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)CCCCC1 596787360 DDZAMVREKXLMTB-OAHLLOKOSA-N 285.391 3.542 30 20 CHED CCOc1ccc(CN(CC#N)C2CCCC2)c(C)c1 597013475 KFJVAWOEAACWOC-UHFFFAOYSA-N 272.392 3.662 30 20 CHED Cc1nc(C)c(NC(=O)CC2(C#N)CCCCC2)s1 597359918 FUNGMFAVSLNNSH-UHFFFAOYSA-N 277.393 3.563 30 20 CHED CCC[C@H](C(=O)N1CC(C)(C#N)C1)c1ccc(Cl)cc1 597605605 XBRWCADIUSLBPK-AWEZNQCLSA-N 290.794 3.596 30 20 CHED CC(C)[C@@H]1N(C(=O)CC2(C#N)CCCCC2)CC1(C)C 597691698 FGALVMAUXWDHKC-HNNXBMFYSA-N 276.424 3.744 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 597904144 DMAMKGVROMNFSI-CQSZACIVSA-N 282.387 3.720 30 20 CHED CC(C)(CC#N)CNCCc1cccc(C(F)(F)F)c1 600164681 JXGPHIYKTLVNCG-UHFFFAOYSA-N 284.325 3.777 30 20 CHED CC(C)(CNC(=O)c1ccccc1CC#N)C1CCCC1 601367367 WFXWPLFSRNPXNL-UHFFFAOYSA-N 284.403 3.699 30 20 CHED Cc1nn(-c2ccc(C#N)cc2C(F)(F)F)c(C)c1C 601948071 JLORWCUVLIORTR-UHFFFAOYSA-N 279.265 3.688 30 20 CHED C[C@@H](CCC#N)CNc1ccc(CCN2CCCC2)cc1 602491319 GIPCPDRAVIGYRQ-INIZCTEOSA-N 285.435 3.677 30 20 CHED CC(C)COc1ccc(CCNC[C@@H](C)CCC#N)cc1 602567042 TWSBBXFVMJFFTD-INIZCTEOSA-N 288.435 3.793 30 20 CHED CN(CCc1ccc(Cl)cc1)CC1(CC#N)CC1 602786046 LHDUKCATHRFGJA-UHFFFAOYSA-N 262.784 3.508 30 20 CHED Cc1nc(S[C@H](C#N)Cc2ccccc2)oc1C 603597720 SPTHEUKTJLSBKK-ZDUSSCGKSA-N 258.346 3.518 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc2c3c([nH]c12)CCCC3 604880407 KXGIUBXVAZFVRH-LBPRGKRZSA-N 282.387 3.741 30 20 CHED COc1cccc2c1CC[C@H]2Nc1nc(C)cc(C)c1C#N 610735170 RKPVHRVNOCHAKW-MRXNPFEDSA-N 293.370 3.678 30 20 CHED Cc1ccc(CCCC(=O)N2CCC[C@](C)(C#N)C2)s1 612250105 FMQBIKPNGPOBLT-MRXNPFEDSA-N 290.432 3.532 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1nccc2occc12 618694390 BGISLTRUJOMTLW-HNNXBMFYSA-N 275.311 3.799 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](CC)C1CC1)c1ccccc1 618869297 ARMSHOXLTAVAQS-BBRMVZONSA-N 257.377 3.651 30 20 CHED C=CCC1(NC(=O)Cc2ccc(F)cc2F)CCCC1 619108093 OZOZIUWAERUCJQ-UHFFFAOYSA-N 279.330 3.512 30 20 CHED C=CCN(C(=O)c1ccc(C(F)(F)F)cn1)C(C)(C)C 622943019 KSKJJKUDNUKKSP-UHFFFAOYSA-N 286.297 3.527 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2Cc3cc(F)ccc3O2)n1 645623872 XVLOOZGKZJEREK-ZDUSSCGKSA-N 288.322 3.739 30 20 CHED CC(C)n1cccc1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 647378628 MJPMYYIKAIDAIG-GFCCVEGCSA-N 299.399 3.893 30 20 CHED C=C(C)CNC(=O)N(Cc1ccccc1Cl)CC1CC1 672503461 LZDNXYXCQVEOJC-UHFFFAOYSA-N 292.810 3.838 30 20 CHED COCC#CCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 677818468 OWTMHKQHKSVWOY-OAHLLOKOSA-N 298.213 3.780 30 20 CHED C=CCC[C@@H](CCC)N[C@H]1CCc2cc(O)ccc2C1 683723981 ZKAOENOGJGWIKK-SJORKVTESA-N 273.420 3.974 30 20 CHED C=CCCCCCN1CCCC[C@@H]1c1noc(CC)n1 683779663 LOEFEZQTWATAKY-CQSZACIVSA-N 277.412 3.905 30 20 CHED C#CC1CCN(C(=O)C[C@@H](C)CCC=C(C)C)CC1 692404579 UCZUUPHSIZYZPS-HNNXBMFYSA-N 261.409 3.631 30 20 CHED CCCCCCCCCc1nc(C2(N)CCC2)no1 711674834 KVBZZSDIAUIUPA-UHFFFAOYSA-N 265.401 3.701 30 20 CHED Cc1ccsc1C=NNc1nc(-c2ccccc2)no1 726739287 JTJGZMFHJMLJGB-UHFFFAOYSA-N 284.344 3.553 30 20 CHED Cc1c(NN=CC2CCCCC2)cccc1[N+](=O)[O-] 727973101 QJYIYKQUZKFMGN-UHFFFAOYSA-N 261.325 3.881 30 20 CHED CC(=NNc1ccc(C)cc1)c1ccc(O)c(F)c1 728426854 CVVXPQUVGFHXNH-UHFFFAOYSA-N 258.296 3.676 30 20 CHED C#CCOc1cccc([C@H](C)OC(=O)c2cc(C)oc2C)c1 730701868 VFTLWUZPKLCOHV-ZDUSSCGKSA-N 298.338 3.826 30 20 CHED CCCCCCC[C@H](C)CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 733758755 SXMPEWOCOZVQFX-XUWVNRHRSA-N 281.440 3.667 30 20 CHED C=CCNC(=S)NCC1(c2cccs2)CCCCC1 739446831 VPQPIUYQHJSIGA-UHFFFAOYSA-N 294.489 3.600 30 20 CHED Cc1cc(O)c(C=NOCc2ccccc2)cc1C 741762496 KGRPNXCGQQJXGM-UHFFFAOYSA-N 255.317 3.560 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 741764288 YZVKFWGADBGOMA-GZMMTYOYSA-N 290.754 3.601 30 20 CHED C=C(Cl)CN(C)[C@@H]1C[C@H](OCC)C12CCCCC2 741808742 FCULFHBZMKLKQK-KGLIPLIRSA-N 271.832 3.799 30 20 CHED N#Cc1ccc(CNCc2cc3cc(F)ccc3o2)cc1 742367508 XMNMLTRYKOYVSG-UHFFFAOYSA-N 280.302 3.733 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1C[C@H]1Cc1ccccc1 742411207 BGIQFLBXFKBPMF-ZYHUDNBSSA-N 289.791 3.711 30 20 CHED CCCCC[C@H](C)CC(=O)NCC#Cc1ccccc1 742505057 OELZRGILXRSVOJ-INIZCTEOSA-N 271.404 3.761 30 20 CHED COc1cccc(NN=C2Cc3ccc(Cl)cc3C2)c1 743432063 AJBPVNMMYVLEKZ-UHFFFAOYSA-N 286.762 3.915 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CC[C@@H](SC)C1 743679619 BXMRPFBODJXDSI-ZIAGYGMSSA-N 284.469 3.658 30 20 CHED C#CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 743691142 SVDWYRRINRROBN-OAHLLOKOSA-N 292.810 3.750 30 20 CHED C=C(C)COC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F 744040295 HEXCMTUAUUZKDU-UHFFFAOYSA-N 293.338 3.543 30 20 CHED C=C(C)CCOC(=O)CCCc1ccc(OC)cc1 744303672 OVHVTUXTIXFNPV-UHFFFAOYSA-N 262.349 3.527 30 20 CHED COc1cccc(O)c1/C=N\Cc1cc2ccccc2[nH]1 746681500 JTWFGIOTPCVVKL-WQRHYEAKSA-N 280.327 3.501 30 20 CHED CCOc1ccc([S@@](=O)CCCC(C)(C)C#N)cc1 747446318 MLXCIJZLWHDQEW-IBGZPJMESA-N 279.405 3.523 30 20 CHED Oc1ccc2ccccc2c1/C=N/[C@H]1CCCSC1 749008043 RSPYJXPTCZXKTQ-VZWMTCDZSA-N 271.385 3.860 30 20 CHED C=C(Cl)CNC(=O)[C@H](c1cccc(Cl)c1)C(C)C 749396680 KDWUFNIOLJMWIJ-ZDUSSCGKSA-N 286.202 3.948 30 20 CHED COC(=O)c1ccc(/C=C2\CCCc3ccccc3C2=O)o1 749454248 ZYOUBBYQXMPNFT-ACCUITESSA-N 296.322 3.669 30 20 CHED CN(C)c1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1 749746687 PFOYTNLTGTUGHK-CXUHLZMHSA-N 283.302 3.508 30 20 CHED Oc1ccccc1/C=N\[C@H]1CCCOc2ccccc21 749748312 ASTPKIFHEMEMFB-BRYHAGSVSA-N 267.328 3.725 30 20 CHED CCn1cc(C=NNc2cc(Cl)ccc2Cl)cn1 751895752 SGUUIEMDEOGFKQ-UHFFFAOYSA-N 283.162 3.656 30 20 CHED CCCCCCCCC(=O)NCC1(C)CCOCC1 753267139 GKYIJPNRPLUZQQ-UHFFFAOYSA-N 269.429 3.670 30 20 CHED COc1ccc(NN=Cc2cc(Cl)ccc2F)cc1 753714757 PGESDKZGSWFMRJ-UHFFFAOYSA-N 278.714 3.934 30 20 CHED CCCCCCCCNC(=O)N1CCS[C@H](C)CC1 755272145 VXFNYSBXWPEIMV-CQSZACIVSA-N 286.485 3.884 30 20 CHED CCc1nn(C)c(CC)c1C=NNc1cccc(Cl)c1 755471333 GWTUVNFOEQIAHU-UHFFFAOYSA-N 290.798 3.644 30 20 CHED C#CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccccc1 757768151 MJIAPJOBAZDKFO-BPQIPLTHSA-N 298.430 3.971 30 20 CHED C#CCCCC(=O)N[C@@H](C)c1oc2ccccc2c1C 757854437 OMGLJVNMLLGXDY-ZDUSSCGKSA-N 269.344 3.722 30 20 CHED CC(CC1CCC1)=NNc1ncnc2sccc12 758371989 NPUUFLCLKVHFEQ-UHFFFAOYSA-N 260.366 3.669 30 20 CHED CC[C@@H](C#N)OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 758852775 DITZOEOYNPTPRF-BBRMVZONSA-N 273.376 3.834 30 20 CHED COc1cccc2c1C/C(=C\c1cc(C)ccc1F)C2=O 759663556 FBQHBDLBNQZPDM-UKTHLTGXSA-N 282.314 3.965 30 20 CHED Cc1ccc(Cl)c(N=Cc2cccc(O)c2O)c1 761784402 CODYQPZIIUCQIM-UHFFFAOYSA-N 261.708 3.810 30 20 CHED C#CCCc1noc(/C=C(/C)c2ccccc2Cl)n1 762009002 LRJXROXOOSGSLB-KHPPLWFESA-N 272.735 3.849 30 20 CHED CC#CCCOc1ccc2c(C(C)C)cc(=O)oc2c1 764933909 BICFUUSGTLVFAU-UHFFFAOYSA-N 270.328 3.709 30 20 CHED CC[C@@H](NCc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 765016539 WAQNZMCXFRAUFV-LJQANCHMSA-N 293.414 3.865 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)c1cccc(F)c1F 766670028 AJOZIFXSVJQNFP-XTTRTJGBSA-N 291.297 3.859 30 20 CHED C#CCCN(Cc1ccc(F)c(Cl)c1)CC(F)(F)F 768534944 UJAWHVZWIQHWMS-UHFFFAOYSA-N 293.691 3.867 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(O)c(Cl)c1 768777530 ZFVIMJMYDSFXQU-UHFFFAOYSA-N 296.157 3.930 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccnc(C2CC2)c1 768848512 ADUFSUVUPJZIBY-UHFFFAOYSA-N 286.375 3.836 30 20 CHED COc1ccsc1C(=O)/C=C/c1cccc(F)c1F 769744125 GYKKJEAHYIKCRI-AATRIKPKSA-N 280.295 3.931 30 20 CHED C=CCCCCNC(=S)Nc1ccc(C)c(C)c1 769761366 ZRBYSNPEMOYPHM-UHFFFAOYSA-N 262.422 3.946 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1F 769823317 UQTBLSIQGPWFTM-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CC(=NNCC(F)(F)F)c1cccc(Cl)c1Cl 769823964 CSHQPYBGRYGKIY-UHFFFAOYSA-N 285.096 3.869 30 20 CHED C#Cc1cccc(NC(=O)c2cc(C)oc2C(F)(F)F)c1 769839485 CZRDBWFBLVNSJB-UHFFFAOYSA-N 293.244 3.840 30 20 CHED C=C(C)CCOC(=O)c1ncoc1-c1ccc(F)cc1 770877994 QRJWNFOYKZURQY-UHFFFAOYSA-N 275.279 3.604 30 20 CHED N#CCc1ccccc1CC(=O)O[C@@H]1CC[C@H]2CCC[C@@H]2C1 771015748 OHNFELDUEFVLHI-QGPMSJSTSA-N 297.398 3.807 30 20 CHED CCn1cc(C(=O)/C=C\c2cscc2Cl)cn1 771860235 QHHCCAOOUZLPQR-ARJAWSKDSA-N 266.753 3.514 30 20 CHED C=C(CC)CON=Cc1ccccc1OC(F)F 773179837 BCOABYPMBMGGAU-UHFFFAOYSA-N 255.264 3.605 30 20 CHED CC(CCCC(F)(F)F)=NNc1nc(C)cc(C)n1 774300923 JEGKZGDGVAIXRH-UHFFFAOYSA-N 274.290 3.614 30 20 CHED CCC(CC)CNN=Cc1nccc2ccccc12 774462834 PIKCFILJNGIVHV-UHFFFAOYSA-N 255.365 3.595 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CC[C@H](C)C1 776291309 KQGRWLADKKTXNS-GXSJLCMTSA-N 293.750 3.562 30 20 CHED C[C@@H](CCOc1ccccc1)C(=O)OCCC(C)(C)C#N 776390116 DAQBIPAOKOMPPD-AWEZNQCLSA-N 289.375 3.575 30 20 CHED C[C@H](CC(=O)O[C@@H](C#N)C1CCCCC1)c1ccncc1 776395184 IQILFYJZVDRGDW-CJNGLKHVSA-N 286.375 3.591 30 20 CHED C[C@@H](Cc1ccco1)N[C@@H](C)c1ccc(C#N)c(F)c1 776727123 AZQSAUXHFRQJGW-RYUDHWBXSA-N 272.323 3.572 30 20 CHED CCOC(=O)[C@@H]1CCC(=NOC2CCCCC2)[C@H](C)C1 777458530 FZRDHVGLQSBREQ-CHWSQXEVSA-N 281.396 3.691 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1ccccc1Cl 777464081 NSLZZAXPTCOWDK-ALCCZGGFSA-N 261.683 3.770 30 20 CHED C#CCOc1cccc(Cl)c1CNc1ccc(C)nc1 777733789 ZWDZDAJQCRWIDW-UHFFFAOYSA-N 286.762 3.668 30 20 CHED COc1ccc2nc(NN=CCCSC)c(C)cc2c1 777911441 KJTBXZXZKNRYDJ-UHFFFAOYSA-N 289.404 3.703 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CC1CCC1)c1ccccc1 778671601 LJVJZOQPJBNDMI-OAHLLOKOSA-N 292.810 3.970 30 20 CHED Cc1ccc2[nH]cc(C=NNc3ccc4[nH]ncc4c3)c2c1 779818561 ZXHRUOOBQHBWNF-UHFFFAOYSA-N 289.342 3.799 30 20 CHED Cc1cc(C)c2c(c1)C(=NNc1ccnc(F)c1)CCCO2 781134047 ZFVPETVRQTZBGM-UHFFFAOYSA-N 299.349 3.826 30 20 CHED CO[C@@H](C(C)=NNc1nc2ccccc2[nH]1)c1ccccc1 782127238 LNLXEPVCCOLOHG-INIZCTEOSA-N 294.358 3.738 30 20 CHED COC(=O)c1cccc(NN=Cc2cc(Cl)cs2)c1 782267093 BETGQRLTXVWCPF-UHFFFAOYSA-N 294.763 3.634 30 20 CHED N#CC1(COC(=O)c2ccnc(C3CC3)c2)CCCCC1 783431287 MIDQGFRVVRWWED-UHFFFAOYSA-N 284.359 3.590 30 20 CHED CCCC(=NNc1nc(C)cc(C)n1)c1ccsc1 785451055 MBNPYNGNTYIIQS-UHFFFAOYSA-N 274.393 3.771 30 20 CHED C1CCC2(CC1)CCC(=NN[C@@H]1CCCOC1)CC2 786042049 IFNJRAGTONACGJ-OAHLLOKOSA-N 264.413 3.636 30 20 CHED CCCCC[C@@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 786836884 KUMPPSHFMWOFOY-DYVFJYSZSA-N 299.418 3.814 30 20 CHED C=CCCN(CC[C@@H]1CCCO1)OCc1ccccc1 787311350 LLFTVAYVHHHNNR-KRWDZBQOSA-N 275.392 3.565 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 787476576 MJQRKZZASLFZDD-HNQUOIGGSA-N 285.690 3.685 30 20 CHED C[C@@H]1c2ccc(Cl)n2CCN1Cc1ccc(C#N)cc1 787652510 MZDGSGQTGVAQEG-GFCCVEGCSA-N 285.778 3.590 30 20 CHED C#CCC1(C(=O)NCc2ccc(CC)s2)CCCCC1 788435438 HWGHFERWYPPQFL-UHFFFAOYSA-N 289.444 3.901 30 20 CHED C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1c1ccccc1C 791059597 SBOSOOKBTOAJLO-RDJZCZTQSA-N 284.403 3.643 30 20 CHED CCc1ccc(/C=C/C(=O)c2ccnc(F)c2)s1 794718583 BLYFDFBQZFJCOM-AATRIKPKSA-N 261.321 3.741 30 20 CHED C=CCNN=Cc1c(-c2ccccc2)n(C)c2ccccc12 795004204 XNJIWGRRPVNXNJ-UHFFFAOYSA-N 289.382 3.955 30 20 CHED C=CCCCCCN(C)CC[C@@H](O)c1ccccc1 795918403 MFGAOXMSAZIMBD-QGZVFWFLSA-N 261.409 3.788 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccccc1Br 796732814 OTZMNFXVFXENPM-UHFFFAOYSA-N 283.165 3.957 30 20 CHED C/C(=C/Cl)CSCC(=O)Nc1ccc(CC#N)cc1 797808986 VSCJXGRTRWMVGV-FLIBITNWSA-N 294.807 3.567 30 20 CHED C#C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(C)C 798343496 IBGPBJZPYCUIGV-DYPRAHPUSA-N 270.159 3.776 30 20 CHED C=CC[C@@H](CC)NC(=O)/C=C\c1ccc2[nH]ccc2c1 798554120 MNTBGCFTCAOQCX-SOIVGHGOSA-N 268.360 3.652 30 20 CHED COc1ccccc1CON=C(C)CCc1ccco1 799117859 QGXHURSZVPHUCI-UHFFFAOYSA-N 273.332 3.814 30 20 CHED Cc1cc2cc(NC(=O)c3ccc(C)c(C#N)c3)ccc2[nH]1 799410324 LDXHTXKXUKKUIY-UHFFFAOYSA-N 289.338 3.909 30 20 CHED CC(=NNc1cccc(F)c1[N+](=O)[O-])c1cc(C)c(C)o1 799886671 AKLBISZEBQTACJ-UHFFFAOYSA-N 291.282 3.780 30 20 CHED COCC[C@H]1CCCC1=NN[C@H]1CCCCC1(C)C 799887184 PZIAOXPWEULRFC-HIFRSBDPSA-N 266.429 3.737 30 20 CHED C=CCn1c(C2CC2)nnc1N1CCC(CC(C)C)CC1 800776084 YJOJVQVHXMNLEO-UHFFFAOYSA-N 288.439 3.604 30 20 CHED CC[C@@H](C)CCC(=O)O[C@@H](C#N)C1CCCCC1 802799856 HZFOSSGAXKECEN-OCCSQVGLSA-N 251.370 3.828 30 20 CHED CC[C@](C)(C#N)C(=O)OCCCc1ccc(Cl)cc1 803784813 HEAZMJDZQFQRHW-OAHLLOKOSA-N 279.767 3.756 30 20 CHED Cc1cc(OC(=O)C(C)(C)C(F)F)c(C)c(C)c1C#N 809035296 PZNVCZVIGQFSPW-UHFFFAOYSA-N 281.302 3.680 30 20 CHED C#Cc1ccc(CNc2cc(F)cc(F)c2OC)cc1 809600831 QLONJVJJBNDAMN-UHFFFAOYSA-N 273.282 3.567 30 20 CHED C#C[C@@H](NC1CC(C)C1)c1ccc(Cl)cc1F 809698809 JFSXWSGYPWYJAK-PFMWSLTASA-N 251.732 3.542 30 20 CHED N#Cc1cc(Cl)ccc1Cn1cnc(Cl)c1Cl 809961827 QRRWPIZWQUKSEW-UHFFFAOYSA-N 286.549 3.763 30 20 CHED C=C(CC)COc1cc(C=O)cc(C(F)(F)F)c1 810029586 GJTVWBAXMFMBFZ-UHFFFAOYSA-N 258.239 3.863 30 20 CHED C[C@@]1(C#N)CCCN(Cc2ccnc(Cl)c2Cl)C1 811488659 HIPXTVCPXJEYQQ-ZDUSSCGKSA-N 284.190 3.514 30 20 CHED COCC1(CON=C(C)c2cc3ccccc3o2)CCC1 812304981 PXWKOYMVILUBNK-UHFFFAOYSA-N 287.359 3.990 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C2CC2)on1 813256535 HAQWTFZBSNHSSW-UHFFFAOYSA-N 276.380 3.808 30 20 CHED Oc1ccc(C2CCC(=NNc3ccccn3)CC2)cc1 814731887 NKLYIUJZBRAEKU-UHFFFAOYSA-N 281.359 3.913 30 20 CHED Cc1c[nH]nc1C=NN[C@H](C)c1ccc(C(C)C)cc1 814811815 VDDJZACNOREOCB-CYBMUJFWSA-N 270.380 3.526 30 20 CHED c1ccc(C[C@@H]2CCC(=NO[C@@H]3CCCCO3)C2)cc1 814888092 PRLJLOHAVKYMJB-DOTOQJQBSA-N 273.376 3.928 30 20 CHED CCc1nocc1C=NNCc1cccc(Cl)c1Cl 814912919 CVZFKMGUZRFYOP-UHFFFAOYSA-N 298.173 3.668 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 814934450 VJJFCTABCCFELI-VXGBXAGGSA-N 273.367 3.919 30 20 CHED C#CC[C@H](NCc1cccc(O)c1Cl)c1ccccc1 815133447 ZEYSJZPUXXWNDF-HNNXBMFYSA-N 285.774 3.900 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1ccc(F)c(F)c1 815313292 BORHIGHBJMPUBF-QMMMGPOBSA-N 276.229 3.780 30 20 CHED CCCCCC[C@](C)(CCC)C(=O)N1CC(C#N)C1 817555046 UKXVZKCEXHOOHN-INIZCTEOSA-N 264.413 3.745 30 20 CHED Cc1cccc2c(C(=O)O[C@@H](C)C(C)(C)C#N)coc12 820363805 XXQUJVPUFZKZLD-NSHDSACASA-N 271.316 3.836 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H]1CCC[C@H](C)C1)c1ccccc1 820605564 OELVBNJAWAZSOF-XIRDDKMYSA-N 284.403 3.581 30 20 CHED C=C(C)[C@H](CC(=O)OCC[C@]1(C)C[C@@]1(F)Cl)OCC 822048363 IVEORTQCRFCRHW-YUTCNCBUSA-N 292.778 3.606 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(CC=C)CCCC2)c1 825694235 UCRPZOPANDXDMX-UHFFFAOYSA-N 267.372 3.767 30 20 CHED C[C@H](CNC(=O)CC1(C#N)CCCCC1)C(C)(C)C 827884843 JQAQUGXHOVQYFP-CYBMUJFWSA-N 264.413 3.649 30 20 CHED C=CCN(CCc1ccco1)C[C@@]1(C)CC1(Cl)Cl 828742926 HZPJNFTZXBRGAG-CYBMUJFWSA-N 288.218 3.894 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NCc2ccc(OCC#N)cc2)C1 832690458 HRRXOXDUIMVHPN-YQQAZPJKSA-N 286.419 3.893 30 20 CHED C=CCCCCNc1cc(N2CCOC2=O)ccc1C 834558233 DEZGDFFKLRYGLE-UHFFFAOYSA-N 274.364 3.720 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(F)cc1C 834895060 XBDMHRGQZUYKCR-MAZHCROVSA-N 263.356 3.518 30 20 CHED CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(C)cc1O 834903767 RIAKWMFQIFYQIM-KRWDZBQOSA-N 298.361 3.952 30 20 CHED CC[C@H](C)[C@@H](C=NNc1ccc(C(F)(F)F)cn1)OC 834921572 XEGAQFATMDGFHR-GXSJLCMTSA-N 289.301 3.559 30 20 CHED CC1(C)OCC[C@@H]1NN=C1CCC(c2ccccc2)CC1 835014292 FBCPJAGATFMKCE-LWKPJOBUSA-N 286.419 3.857 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCCCCCC2)c1 836773144 FTGRRJIGGSNPFH-UHFFFAOYSA-N 271.364 3.665 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)Cc2cccc(C(F)F)c2)C1 839058974 NENDBGPZUMZFJJ-GXTWGEPZSA-N 293.313 3.792 30 20 CHED CCOc1cccc([C@H](C)NCC(C)(C)CC#N)c1 840786883 ULXGSCZYAQNHKO-ZDUSSCGKSA-N 260.381 3.676 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(Cl)c(C#N)s1 841223238 HNELTWMMFAYHAA-BDAKNGLRSA-N 297.811 3.823 30 20 CHED C#C[C@H](OC(=O)[C@@H](SCC)C(C)C)c1ccccc1 842365402 NHTFZLUBKNGJLV-GJZGRUSLSA-N 276.401 3.682 30 20 CHED C#C[C@@H](OC(=O)c1cnc(CCC)s1)c1ccccc1 842390236 YOFGLTZQNIUOHW-CYBMUJFWSA-N 285.368 3.627 30 20 CHED C[C@@H](CO)N(C)N=C1CCCCCCCCCCC1 842545434 UBFPFWGNWORASF-HNNXBMFYSA-N 268.445 3.960 30 20 CHED N#C[C@H](C(=O)C[C@H]1C=CCC1)c1nc(C2CC2)cs1 842938625 OFURQHAQCZTVKV-CMPLNLGQSA-N 272.373 3.553 30 20 CHED Cc1ccccc1CC(=O)[C@H](C#N)c1nc(C2CC2)cs1 842939189 ROYZCBFPPSAAOB-AWEZNQCLSA-N 296.395 3.748 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C=C/C1CCCC1 843526356 OMQHWLQALUNPLY-OUKQBFOZSA-N 269.388 3.948 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccc(CC(=O)O)cc1 848413993 HBGIIOPVJYQFDE-NSHDSACASA-N 274.364 3.538 30 20 CHED C/N=C(/NCc1ccc(C2CCCCC2)cc1)NC1CC1 849103627 UPKSIDDKYHAKPC-UHFFFAOYSA-N 285.435 3.562 30 20 CHED Cc1ccoc1C(=O)/C=C/c1ccc(O[C@@H]2CCOC2)cc1 849246849 LXVZOQVAXPIXNP-IEXSPKMKSA-N 298.338 3.652 30 20 CHED CCCC[C@@](C)(F)C(=O)OCc1ccc(F)c(C#N)c1 849847585 WPJBSWYKELTCDX-OAHLLOKOSA-N 281.302 3.659 30 20 CHED N#Cc1ccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)cc1 850362047 FOHSGGUFSIYBDR-IBGZPJMESA-N 292.382 3.930 30 20 CHED Cc1ccccc1C=NOCc1nnc(-c2ccccc2)o1 852229153 MUPQYOQWAKAHAU-UHFFFAOYSA-N 293.326 3.596 30 20 CHED CCCn1nccc1/C=C1\Cc2cc(C)cc(C)c2C1=O 853010452 BXYBJAATLOKOMG-RVDMUPIBSA-N 280.371 3.732 30 20 CHED C#Cc1ccc(C(=O)N(C)C2CC(C)(C)CC(C)(C)C2)cn1 855567909 DNSFHBSDFDUQQY-UHFFFAOYSA-N 298.430 3.740 30 20 CHED C=CCC1(NC(=O)/C(C)=C\c2ccc(C)cc2)CCOCC1 855686489 JRKOKFSRGPVYOP-PEZBUJJGSA-N 299.414 3.640 30 20 CHED C#C[C@H](OC(=O)[C@H](C)C(C)(F)F)c1ccc(C)cc1 860963193 QYVZGQOEEMLJRL-AAEUAGOBSA-N 266.287 3.504 30 20 CHED C=CCC[C@@H](C)NCc1nc(-c2ccncc2)cs1 872121614 OBIRXBNICONYRF-GFCCVEGCSA-N 273.405 3.649 30 20 CHED CCCOc1ccc(NC[C@H](C)CCC#N)cc1F 877658602 ACBSRFLVGDMEJA-GFCCVEGCSA-N 264.344 3.966 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 879852380 ZHUAYXZPUUVWOD-GXFFZTMASA-N 297.320 3.678 30 20 CHED C=C1CCC(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)CC1 889985205 CZXWZAAHWDXCRD-CQSZACIVSA-N 295.382 3.840 30 20 CHED N#CN(CCCCC1(C#N)CCC1)c1ccccc1F 902737693 BCAZUMKPTNEMEJ-UHFFFAOYSA-N 271.339 3.977 30 20 CHED CC[C@@H](NCCc1ccc(C)nc1)c1cccc(C#N)c1 902800595 QGIPOHNXFRXSKL-GOSISDBHSA-N 279.387 3.545 30 20 CHED C=CC(C)(C)Cc1nc(CCCc2ccccc2)no1 904460113 NBJKWQYAPAMIGW-UHFFFAOYSA-N 270.376 4.000 30 20 CHED C=CC[C@H](c1ccccc1)c1nc(-c2ccncc2)no1 904581067 USLUGWYQRPEHPI-OAHLLOKOSA-N 277.327 3.840 30 20 CHED CCC[C@@H](C(=O)OCc1cc(C#N)ccn1)c1ccccc1 908799388 YXCJVLACXFOOID-QGZVFWFLSA-N 294.354 3.580 30 20 CHED CC(=NNc1ccc(Br)cc1)c1ccco1 912822133 RLDZUNTWIGOZPG-UHFFFAOYSA-N 279.137 3.878 30 20 CHED COc1ccnc(NN=C(C)c2ccc(CC(C)C)cc2)n1 914696094 NKGSIEYZWFQOPW-UHFFFAOYSA-N 298.390 3.520 30 20 CHED CCC(C=NNC(=S)Nc1ccccc1F)CC 915921493 YCJLAWSOHMSPTA-UHFFFAOYSA-N 267.373 3.534 30 20 CHED CC(C)OCc1ccc(N=Cc2cccc(O)c2O)cc1 920178946 ZYTSSWDRDZSLQI-UHFFFAOYSA-N 285.343 3.773 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNc2cccc(F)c2)cc1 920386157 SHAAGADTGKJHJZ-UHFFFAOYSA-N 294.333 3.970 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCCN(c2ccccc2)C1 925069094 DEGWVKHAOAMISM-HOTGVXAUSA-N 285.435 3.573 30 20 CHED C#CCCCN[C@H](c1ccc(CC)cc1)c1cccnc1 925161526 PPKOIHKOSPMALR-LJQANCHMSA-N 278.399 3.736 30 20 CHED CCN(CCC#N)C(=O)c1ccccc1CC(C)(C)C 930464243 NAKAWDKMBXZUNX-UHFFFAOYSA-N 272.392 3.651 30 20 CHED Cn1cc(-c2ccc(/C=C\C(=O)c3ccco3)cc2)cn1 1116889925 KNJYENPRLBLOLN-TWGQIWQCSA-N 278.311 3.576 30 20 CHED C=C(C)C(C)(C)c1nnc(Cc2ccccc2C)o1 1118376100 CLLFJRZGRPEUQG-UHFFFAOYSA-N 256.349 3.823 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 1121187616 HKJWWQIZVFKIMT-INIZCTEOSA-N 275.392 3.961 30 20 CHED C=CCC[C@H](OC(=O)[C@H]1CCOC2(CCC2)C1)C1CC1 1122736639 AFSUNPKGBRIVCJ-GJZGRUSLSA-N 278.392 3.624 30 20 CHED N#CC[C@H](OC(=O)CCc1ccccc1F)c1ccco1 1123371097 YTYAXAIHFOLNQU-HNNXBMFYSA-N 287.290 3.549 30 20 CHED CC[C@H](C)C[C@H](C)Nc1ncc(C#N)cc1Br 1185497351 IGDKAJHNRCTFDK-UWVGGRQHSA-N 296.212 3.952 30 20 CHED CC(C)[C@H]1CCN1c1ccc(C#N)c(Br)c1 1186470309 LZJBOXHXCLOYEX-CYBMUJFWSA-N 279.181 3.555 30 20 CHED CCN(Cc1ccc(C#N)cc1)Cc1ccccc1F 1203905077 QFMVUWSSYUACPW-UHFFFAOYSA-N 268.335 3.719 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(-c2cnn(C)c2)cc1 1256332831 VOEZCUINYCSGSH-GOSISDBHSA-N 281.403 3.628 30 20 CHED COc1cccc(/C=N\Cc2cccc(Cl)c2F)c1O 1318877208 VSLIZTOPFLPWCO-NVMNQCDNSA-N 293.725 3.812 30 20 CHED CC(C)(C(=O)NCCCC#N)c1ccc(Cl)c(Cl)c1 1320366821 GNQDWRHYZXXZRU-UHFFFAOYSA-N 299.201 3.691 30 20 CHED CCOc1ccccc1/C=C/c1cc(C#N)ccn1 1321169484 IVQALIARPSQRIN-BQYQJAHWSA-N 250.301 3.522 30 20 CHED CC(=NNc1ccc(C(C)(C)C)nn1)c1cccs1 1321922678 BONCMWUOKFQJBF-UHFFFAOYSA-N 274.393 3.672 30 20 CHED CN(C)c1cccc(Cl)c1C=NNC1CCCCC1 1323949734 YEODTJYUUBGDMG-UHFFFAOYSA-N 279.815 3.662 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(-c2nnco2)ccc1C 1332855252 WOKUIIVOJIMBOA-GFCCVEGCSA-N 285.347 3.586 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(Br)c(O)c1 1333270126 WPDRJYNBCDKYBZ-UHFFFAOYSA-N 298.180 3.696 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCSc2ccccc21 1336934890 QVJZIHOLKQAPDJ-ZDUSSCGKSA-N 261.390 3.696 30 20 CHED CN(c1cccc(CC#N)n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 1342868112 LWDNCYXQKNGWAG-BJHJDKERSA-N 297.324 3.705 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)C1 1343331623 SJONAKORPAKBTH-YVFHJZMCSA-N 291.366 3.530 30 20 CHED FC(F)(F)[C@@H]1CC(=NNc2ccccc2Cl)CCO1 1343872126 OCDJITCMUWSLDB-NSHDSACASA-N 292.688 3.849 30 20 CHED N#Cc1ccc(COC(=O)C2CCC3(CC2)CC3)s1 1346843165 UNKNTKKDORGBEJ-UHFFFAOYSA-N 275.373 3.633 30 20 CHED Cc1cc(N(C)CC(C)(C)C#N)nc2ccccc12 1347603934 SWLIVJORBQUGDO-UHFFFAOYSA-N 253.349 3.529 30 20 CHED C=CCN(C(=O)Nc1cncc(C(F)(F)F)c1)C(C)C 1350246109 PDUBBNJSLOLBKK-UHFFFAOYSA-N 287.285 3.529 30 20 CHED N#Cc1cc(C(=O)OCc2ccccc2Cl)cs1 1353130516 JSXDFWMHIWJISV-UHFFFAOYSA-N 277.732 3.630 30 20 CHED N#CC[C@H](C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccccc1 1353523832 WCRDVTNWLLQWJT-SPUZQDLCSA-N 296.414 3.769 30 20 CHED Cc1ccc(C#N)cc1C(=O)O[C@H]1CCc2cc(F)ccc21 1355285440 WWKYXBDWIZOWGY-KRWDZBQOSA-N 295.313 3.850 30 20 CHED Cc1ccc([C@H](C)CNC(=O)c2cc(C#N)ccc2C)cc1 1360479284 YEAJZGZLBQUNTN-OAHLLOKOSA-N 292.382 3.709 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2sc(Cl)nc2C)c1 1436705309 JDGZTKGIEXIVCH-UHFFFAOYSA-N 291.763 3.537 30 20 CHED Cc1cccc(C(=O)Nc2cc(C#N)c(F)cc2F)c1C 1438613608 POLUUXYRMHABCN-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CCN(Cc1occc1C)c1nc(C)c(C#N)cc1Cl 1458438825 GCIPHEJAIQOFCH-UHFFFAOYSA-N 289.766 3.843 30 20 CHED N#Cc1cc(C(=O)N(c2ccccc2)C2CC2)ccc1F 1460100251 MKKOLGZHXCGWCM-UHFFFAOYSA-N 280.302 3.507 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 1464911475 MTIDQAQGVPHSLX-CYBMUJFWSA-N 271.364 3.506 30 20 CHED CC(C)(C)c1csc(NC(=O)N2CCCCC2)c1C#N 1466649149 ZHOIZQXBQKOCJM-UHFFFAOYSA-N 291.420 3.935 30 20 CHED CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1523403676 YOCMHBROOOMFSB-JCGIZDLHSA-N 298.430 3.994 30 20 CHED C=CC1(CC(=O)Nc2ccc(NC)nc2)CCCCC1 1574879602 GVRCETWYLJULCY-UHFFFAOYSA-N 273.380 3.588 30 20 CHED Cc1ccc(Cl)cc1C(=O)N1CCc2cc(C#N)ccc21 1583641444 XZGKYETZYLEISL-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=C(CNC(=O)Cc1cc(C)cc(C)c1)c1ccccc1 1584316083 HGRQHMCCEXWQJB-UHFFFAOYSA-N 279.383 3.676 30 20 CHED C=C(CCC(=O)O)C(=O)N[C@H](CCCCC)C(C)(C)C 1588622285 TXECRBGDHLGFDG-CYBMUJFWSA-N 283.412 3.519 30 20 CHED CC(C)(C)[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)O 1589722521 IRCDRODOEVOEHF-NSHDSACASA-N 283.780 3.803 30 20 CHED C=CCC(C)(C)CN[C@@H](CC)c1ccc(-c2nn[nH]n2)cc1 1602808406 DCGBCHQLSVRSGA-HNNXBMFYSA-N 299.422 3.510 30 20 CHED O=C(O)c1c(F)cccc1NN=C1CC[C@H]1C1CCC1 1610805864 FRQYSUFUYPBORU-JTQLQIEISA-N 276.311 3.502 30 20 CHED Cc1cc(N2CCC[C@H]2Cc2ccccc2C)ncc1C#N 1611997473 NWDDRFAKXZOFSP-SFHVURJKSA-N 291.398 3.782 30 20 CHED N#Cc1c[nH]ccc1=NC[C@H]1CCCC[C@H]1c1ccccc1 1642692845 FJTZEAIVLNAYON-AEFFLSMTSA-N 291.398 3.761 30 20 CHED Cc1nc(N2CCc3ccc(C(C)C)cc3C2)ccc1C#N 1651221723 NEOXCAFDVGEKPC-UHFFFAOYSA-N 291.398 3.948 30 20 CHED N#C[C@H](c1ccccc1)N1CCc2c(Cl)cccc2C1 1653420583 XSZRASCOOOAWQM-QGZVFWFLSA-N 282.774 3.963 30 20 CHED CCC[C@H](NCc1ccc(C#N)cc1OC)C1CCC1 1654694235 BFIBZFGTMZNZPA-INIZCTEOSA-N 272.392 3.625 30 20 CHED CSCCc1ccc(Nc2ncc(C#N)cc2F)cc1 1655089237 PPJWZMVMMFAOIE-UHFFFAOYSA-N 287.363 3.741 30 20 CHED CC[C@H]1CCC[C@@H]1CNc1c(C#N)cccc1C#N 1655488237 WJOKMAICOWHKTC-SWLSCSKDSA-N 253.349 3.668 30 20 CHED CSc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 3611766 ZTHFIRNKHYQYSO-UHFFFAOYSA-N 286.312 3.981 30 20 CHED CCOc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 10745611 ISCSXQNDSULWLG-UHFFFAOYSA-N 294.354 3.528 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(C)Cc2ccc(C#N)cc2)o1 16433613 ZUUSYIZIRKDZFR-SUMWQHHRSA-N 280.371 3.907 30 20 CHED N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(F)c1 38082007 QJKFEGLUAOEMBB-UHFFFAOYSA-N 276.198 3.537 30 20 CHED C=CCn1c(SC[C@@H]2CCCCO2)nc2ccccc21 43461723 XLXBXYFQSPOWBL-ZDUSSCGKSA-N 288.416 3.884 30 20 CHED CCCCN(C(=O)c1cccc(C#N)c1)[C@@H](C)CC 48322313 WZDCRLLBTWUQQR-ZDUSSCGKSA-N 258.365 3.599 30 20 CHED CCN(Cc1ccccc1C#N)c1ccccc1F 50011872 VWBOJTNQFBYJFE-UHFFFAOYSA-N 254.308 3.724 30 20 CHED C=CCN(Cc1cccs1)Cc1cc(C#N)ccc1F 53906535 YAUHJQZLPGNOTL-UHFFFAOYSA-N 286.375 3.947 30 20 CHED CC[C@H](CC#N)NC1CC(c2ccc(Cl)cc2)C1 54183492 TZPMPLVDNVWJFH-HNFVBEJKSA-N 262.784 3.868 30 20 CHED Cc1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1 60340089 IULMFLYJXQYOEQ-XNTDXEJSSA-N 264.324 3.913 30 20 CHED N#CCCCCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 60366501 NMQWBTYODMFFBA-KRWDZBQOSA-N 290.382 3.501 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C 66414632 IUWWJAKMINFDSP-WMLDXEAASA-N 284.403 3.528 30 20 CHED N#Cc1ccc(CNCC2(c3ccc(F)cc3)CC2)cc1 69709384 VXKDMNMWWAQNHX-UHFFFAOYSA-N 280.346 3.519 30 20 CHED CCSc1cccc(NC(=O)c2cccc(C#N)c2)c1 71019944 FMNLSFYZPMUGKG-UHFFFAOYSA-N 282.368 3.923 30 20 CHED Cc1c(C(=O)O[C@H](C#N)C2CC2)oc2ccc(Cl)cc12 80397317 NJOATAMQEMGTTQ-CYBMUJFWSA-N 289.718 3.854 30 20 CHED CC[C@@H](/C(O)=N/c1ncn[nH]1)c1cccc(C(F)(F)F)c1 84384242 MUAJQDBSCMZOKQ-SNVBAGLBSA-N 298.268 3.605 30 20 CHED CCN(Cc1cc(C#N)cs1)[C@H](C)c1cccc(O)c1 91975321 VYCOLWWUUHETFF-GFCCVEGCSA-N 286.400 3.908 30 20 CHED COc1ccc2ccccc2c1CN(CCC#N)CC1CC1 93091276 WOTWKYVRTDPZNR-UHFFFAOYSA-N 294.398 3.974 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2C#N)cc1 97472841 RHVLBZGGGAJDDC-LBPRGKRZSA-N 297.333 3.889 30 20 CHED C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)CCCCC#N 105723970 CWLMTTWXMAXGGP-NSHDSACASA-N 285.796 3.510 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C#N)cc1)C2 108145254 BFJVXAWXLAWIGF-SXGWCWSVSA-N 259.308 3.689 30 20 CHED C=CC[C@H](C)NCc1ccc(Br)cc1F 116927698 QYTOMCCMLGZVKT-VIFPVBQESA-N 272.161 3.642 30 20 CHED C=CCC[C@H](NCCc1ccc(OC)cc1)C1CC1 119783395 BBBQXTCXPKMSAB-KRWDZBQOSA-N 259.393 3.572 30 20 CHED Cc1nn(C)cc1/C=C/C(=O)c1cccc(C(F)(F)F)c1 120668475 VSCQUPLZAXDAKB-VOTSOKGWSA-N 294.276 3.643 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(C)ccc1Cl 120846755 LRHJRRWGXOGZPO-SNVBAGLBSA-N 252.745 3.735 30 20 CHED C[C@@H](NCc1ccc(C#N)s1)c1cccc(F)c1F 121910589 IPMOOHUCSHDOBM-SECBINFHSA-N 278.327 3.749 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](c1ccccc1)C1CC1 122905300 GBILAHGWCYRQBO-MRXNPFEDSA-N 257.377 3.605 30 20 CHED C[C@H](NC[C@H](C)C(C)(C)C)c1ccc(OCC#N)cc1 125231384 QDWZBYYXKAFTBW-KBPBESRZSA-N 274.408 3.922 30 20 CHED CC[C@@H](C#N)Sc1nnc(-c2cc3ccccc3o2)o1 127794488 BOCPBCSEYAQLET-JTQLQIEISA-N 285.328 3.877 30 20 CHED C=CCC[C@@H](CCC)NCc1ccnc(N2CCCC2)c1 131530553 UZAQBPQIUWVGAC-QGZVFWFLSA-N 287.451 3.906 30 20 CHED CCC(CC)SCC(=O)N(CCC#N)c1ccccc1 131893897 VTWLIGWUJVTNRY-UHFFFAOYSA-N 290.432 3.855 30 20 CHED Cn1ncc2c1CC/C(=C\c1cc3cc(F)ccc3o1)C2=O 132596769 VFXGQHAKNIMCJT-JXMROGBWSA-N 296.301 3.518 30 20 CHED COc1c(F)cc(NCCCC(C)(C)C#N)cc1F 133706295 VZTMVRDEDQBOOD-UHFFFAOYSA-N 268.307 3.715 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](C)C1CC1)c1ccccc1 133751813 ODJHFSBFXOSRLL-CZUORRHYSA-N 257.377 3.856 30 20 CHED N#Cc1ccc(OC(=O)/C=C/SCc2ccco2)cc1 134184467 XTJVHAFWOPOWEI-VQHVLOKHSA-N 285.324 3.504 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccc(C#N)s2)cc1 134499358 XYAPFIUBHOEAQM-SOFGYWHQSA-N 283.352 3.662 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(Cl)cc1SCC 161008629 UZPPQAOCOKPUCF-VIFPVBQESA-N 269.797 3.756 30 20 CHED N#Cc1cccc(NC(=O)N[C@H]2CCCc3sccc32)c1 161174169 WNZAYIIGFWQQJD-AWEZNQCLSA-N 297.383 3.819 30 20 CHED C=CCN(C)C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 161788877 ZRWLLSYZYFFFJY-LUAWRHEFSA-N 283.293 3.753 30 20 CHED Cc1cc(F)ccc1OCc1ccc(C#N)cc1F 163176219 IQMCUZAHZQOCMK-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C=CCCCC(=O)NCc1cccc(C(F)(F)F)c1 175110155 LYEOCOXJCRJWSC-UHFFFAOYSA-N 271.282 3.678 30 20 CHED CCO[C@H](CCNCc1cc(C#N)cs1)C1CCCC1 177709016 OWPVOWROAPWFQS-MRXNPFEDSA-N 292.448 3.695 30 20 CHED CCCC(C)(C)NC(=O)Nc1cccc(C#N)c1C 178551505 ONGYVTRZYJTHCU-UHFFFAOYSA-N 259.353 3.567 30 20 CHED Cc1c(C#N)cccc1NCc1nnc(-c2ccccc2)o1 179052720 PGFIDXGHJZPIKL-UHFFFAOYSA-N 290.326 3.529 30 20 CHED C[C@@H]1CCc2ccccc2[C@H]1NCc1cccc(C#N)c1 179394444 PYEKEHVDBOMVNT-KUHUBIRLSA-N 276.383 3.971 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] 179772920 IGNRWFKDGIZNEB-JTQLQIEISA-N 296.754 3.723 30 20 CHED C=CCSCCN[C@H](CC)c1ccc(OC)cc1 180454484 MXIJVIMBBWCKCO-OAHLLOKOSA-N 265.422 3.655 30 20 CHED C=C(C)CN(C)Cc1cc(-c2ccc(C)cc2)no1 181320756 IWUBCXAAWJFQSD-UHFFFAOYSA-N 256.349 3.658 30 20 CHED C=CCC[C@@H](NC(=O)CC[C@@H](C)OC)c1ccccc1 181763530 LANFWZTYEDTPLL-GDBMZVCRSA-N 275.392 3.625 30 20 CHED COc1ccc(C#N)cc1CN[C@@H](C)[C@H](C)c1ccccc1 183371005 SRKCNOGUZZZUMU-GJZGRUSLSA-N 294.398 3.849 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(F)cc2OC(F)F)C1 185751019 OLSGVRLIUFYTMW-ONGXEEELSA-N 284.281 3.921 30 20 CHED C[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)Sc1ccccc1 185848501 IQPDWFWABMHGEI-SOUVJXGZSA-N 274.433 3.839 30 20 CHED Cc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)co1 187443583 RUPTVYFAABQPAL-NSHDSACASA-N 274.345 3.658 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cccc(F)c1F 188558613 HPNKUQCXFWMEDU-BONVTDFDSA-N 267.319 3.744 30 20 CHED C=CC[C@H](C(=O)NC1Cc2ccccc2C1)c1ccccc1 189101498 XOUIOJXRPULHDJ-IBGZPJMESA-N 291.394 3.630 30 20 CHED C[C@H](S[C@H](C)c1cnccn1)c1cccc(C#N)c1 190827762 LLDKFYSYKXKTCO-NWDGAFQWSA-N 269.373 3.904 30 20 CHED CC#CCCCC(=O)Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 191733876 XTLBJPRQWBCHEC-MAUKXSAKSA-N 296.414 3.807 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(CC#N)cc1 192837175 XLQMRYAMYRHALR-XJKSGUPXSA-N 285.391 3.795 30 20 CHED CCO[C@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 193523943 QHKIMZWOCALMFH-HNAYVOBHSA-N 294.398 3.987 30 20 CHED CC#CCCCC(=O)N(CC(F)F)c1ccc(F)cc1 193852478 HAGGSPDLXSKOEF-UHFFFAOYSA-N 283.293 3.617 30 20 CHED COc1cc(/C=C2/Oc3cc(C)c(C)cc3C2=O)ccc1O 214006370 QGWFRXOWZUJLDU-RQZCQDPDSA-N 296.322 3.634 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NCc1cccc(C#N)c1F 229593712 VXDZLABMZRZNLS-TYNCELHUSA-N 260.356 3.612 30 20 CHED C[C@@H]1CC(C)(C)C[C@H]1Nc1cccc(OCC#N)c1 235321708 NHPZPQMYNCQXLN-IUODEOHRSA-N 258.365 3.826 30 20 CHED C=C(C)CON=C(C)c1nc2ccccc2n1C(F)F 255066580 MPDCFMAAOMXSOO-UHFFFAOYSA-N 279.290 3.748 30 20 CHED C=C1CCN(C(=O)Cc2cccc3ccccc23)CC1 264183984 OYGHJFDELVCTNU-UHFFFAOYSA-N 265.356 3.561 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CCCCSC 265696060 CBATXFKVTVGOCH-UHFFFAOYSA-N 291.460 3.777 30 20 CHED C[C@]1(CCc2ccccc2)CCN(C[C@H](C#N)CCC#N)C1 267568209 COKDMZPJSRINJF-OALUTQOASA-N 295.430 3.775 30 20 CHED CC(C)(O)COc1ccc(NCC(C)(C)CCC#N)cc1 269292089 AWOQPVQGQWCNMX-UHFFFAOYSA-N 290.407 3.578 30 20 CHED C=C[C@@H](CC(=O)Nc1cc(C2CC2)n[nH]1)c1ccccc1 270419470 FCXVKWJVZSPLKG-LBPRGKRZSA-N 281.359 3.586 30 20 CHED Cc1cc(F)cc2c(N[C@H]3CCO[C@@H](C)C3)c(C#N)cnc12 271409231 PCHAYGSMTMADAU-FZMZJTMJSA-N 299.349 3.533 30 20 CHED C=C(Cl)CN[C@@H](C)c1nc2ccc(Cl)cc2n1C 271730906 OZYQLTLQVAVNMK-VIFPVBQESA-N 284.190 3.630 30 20 CHED CCSCC[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 271951047 OMMBJLMJNDZELL-NWDGAFQWSA-N 280.412 3.880 30 20 CHED CC[C@H](NCCC(C)(C)C#N)c1ccc(F)cc1F 272056818 VSZUEGLTYGJCOY-AWEZNQCLSA-N 266.335 3.945 30 20 CHED Cc1ccnc(N2CCC(n3c(C)ccc3C)CC2)c1C#N 273368740 RMRSLRRCJFQRJO-UHFFFAOYSA-N 294.402 3.522 30 20 CHED CCN(CCC(C)(C)C#N)[C@@H](C)Cc1ccsc1 275177494 WGCGALBQHBBLKW-ZDUSSCGKSA-N 264.438 3.941 30 20 CHED C=C(C)CCN1CCC(c2ncc(C)s2)CC1 277589609 ZNGVBOJURDMGBT-UHFFFAOYSA-N 250.411 3.597 30 20 CHED CC[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(C#N)cc1 278765404 OXTPDCJHUWTHEL-IUODEOHRSA-N 297.406 3.602 30 20 CHED C=C(C)[C@H](NC(=O)CC(C)(C)C#N)c1ccc(F)c(F)c1 278899344 YGMNMSYLBJDHJP-HNNXBMFYSA-N 292.329 3.638 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@H](C)c1ccccc1OC 281323362 KGURXQDRFQZKDM-KBPBESRZSA-N 275.392 3.660 30 20 CHED Cc1csc([C@@H](C)CNc2nc(Cl)c(C#N)s2)n1 286509828 BFTDQTZVPTXUJH-LURJTMIESA-N 298.824 3.649 30 20 CHED CCN(CC)c1ccc(/C=N/[C@@H](C)C(F)(F)F)c(O)c1 287015071 FZPSARNAHOLRSE-NTOSSWPYSA-N 288.313 3.608 30 20 CHED C=C[C@@H](CO)N[C@@H]1CCCc2cc(SC(F)F)ccc21 289866345 RFWSQKOYCUPHBM-SMDDNHRTSA-N 299.386 3.515 30 20 CHED C=CCC(C)(C)C(=O)N(C)c1ccccc1SC 297525318 ANOXSQTVUOTOCU-UHFFFAOYSA-N 263.406 3.974 30 20 CHED CCC(CC)CN(CC)C(=O)c1cccc(CC#N)c1 298646081 VDGOBDOSPHVQSD-UHFFFAOYSA-N 272.392 3.651 30 20 CHED N#Cc1cccc(NCc2nc(-c3ccccc3)cs2)n1 301253828 CJFCPHWQLOQFCE-UHFFFAOYSA-N 292.367 3.689 30 20 CHED N#Cc1c(F)cccc1Nc1ccc(O[C@H]2CCOC2)cc1 301379439 YAPKXWBKRXFPLO-AWEZNQCLSA-N 298.317 3.609 30 20 CHED COc1cc(C)ccc1CNc1cccc(F)c1C#N 301611044 DCBSGAMGPGJAPU-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C=C(C)COCCNc1c(C#N)cnc2c(C)cc(C)cc12 301666053 MAQLKAMVQKJRCF-UHFFFAOYSA-N 295.386 3.728 30 20 CHED Cc1cccc2ncnc(Oc3cccc(F)c3C#N)c12 301870315 WLSMFNXBJMCSDO-UHFFFAOYSA-N 279.274 3.741 30 20 CHED CCC(=O)c1ccc(Oc2c(C#N)cccc2C#N)cc1 302486645 XRDHTMRQFHCVRP-UHFFFAOYSA-N 276.295 3.815 30 20 CHED N#Cc1cccc(C#N)c1N1CCC[C@H]1c1cccs1 302491363 ZDKGUPIREFAUSL-AWEZNQCLSA-N 279.368 3.833 30 20 CHED CCCCCCCCN/C(N)=N/Cc1cc(C(C)C)no1 304740891 BWEFAANEHLQNBL-UHFFFAOYSA-N 294.443 3.563 30 20 CHED Cc1nsc(NCC2CCC(C)(C)CC2)c1C#N 310966577 HLSHXQXOOCYFRQ-UHFFFAOYSA-N 263.410 3.952 30 20 CHED C[C@H](/N=C(/O)[C@H]1CCCC(O)=N1)c1ccc(Cl)s1 328837905 YBLTULMMAMKOSI-JGVFFNPUSA-N 286.784 3.928 30 20 CHED C[C@H](CCC1CC1)/N=C(/O)c1cc(O)nc(C2CC2)c1 329942611 CYEHBXRIFXZCAA-SNVBAGLBSA-N 274.364 3.548 30 20 CHED OC(CC/N=C(/O)[C@@H]1CC12CCCC2)=Nc1cccnc1 329986216 DYVQTENUSSDAPY-ZDUSSCGKSA-N 287.363 3.597 30 20 CHED C[C@@H](C#N)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 334481055 VRJRMUXDPSZHRG-JTQLQIEISA-N 288.734 3.584 30 20 CHED C=C1CCN(C(=O)c2cnc(Cc3ccccc3)s2)CC1 335245396 LBVUYPIBWUZECS-UHFFFAOYSA-N 298.411 3.526 30 20 CHED N#CCCC1CCN(c2cccc(Cl)c2C#N)CC1 335380471 QFLJUBZGZLJGMQ-UHFFFAOYSA-N 273.767 3.732 30 20 CHED Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(C#N)cc1 335818459 XGZKTVOSLHJELC-UHFFFAOYSA-N 284.746 3.797 30 20 CHED Cc1cccc2cc(C(=O)N3CCC(CC#N)CC3)sc12 335996788 NGXYFFTVHQVWFH-UHFFFAOYSA-N 298.411 3.976 30 20 CHED Cc1ccccc1N(C(=O)c1cc(C#N)oc1C)C(C)C 336496986 CBEYRBHRIBIWPM-UHFFFAOYSA-N 282.343 3.823 30 20 CHED N#Cc1ccccc1CSCCN[C@@H]1CCC12CCC2 337469355 MWAJKIIGYBXVQS-MRXNPFEDSA-N 286.444 3.714 30 20 CHED C=CCCC(=O)N(CC=C)c1nc2c(s1)CCCC2 338621365 QJUNMZOZNODKQI-UHFFFAOYSA-N 276.405 3.507 30 20 CHED CCC(CC)CN(CCC#N)c1ccnc(C(C)C)n1 339057851 LTMSAJCZKNAFRQ-UHFFFAOYSA-N 274.412 3.756 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCc2cccc(C)c21)OCC 339606612 IGQYYBMKJXDPQV-INIZCTEOSA-N 287.403 3.646 30 20 CHED C[C@H](SCc1cccnc1)c1cccc(C#N)c1 342004604 NVDSRRIEIIOCSE-LBPRGKRZSA-N 254.358 3.948 30 20 CHED CCc1cccc2c1OCC[C@H]2NCc1cc(C#N)cs1 344276541 SIEUEUSFDJPHTQ-MRXNPFEDSA-N 298.411 3.796 30 20 CHED C=CCC(C)(C)C(=O)N1CC=C(c2ccccc2)C1 345904218 KHWOLANONCTWPF-UHFFFAOYSA-N 255.361 3.515 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccsc1 347876027 WRICJBOJCNFRFP-UHFFFAOYSA-N 271.385 3.967 30 20 CHED C[C@H]1Cc2ccc(F)cc2[C@H]1NCC(C)(C)CCC#N 348227997 NSTVUTAILBKXDN-LRDDRELGSA-N 274.383 3.979 30 20 CHED C[C@H](NCc1ccc(CC#N)cc1)c1cccs1 348264842 ZUUDOEGHWCZVCO-LBPRGKRZSA-N 256.374 3.665 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N(CC)CC1CCC1 350594327 AVTLNHGBUSLIDQ-CYBMUJFWSA-N 276.428 3.604 30 20 CHED CCCC[C@@H](C)N(C)CCCC1(C#N)CCOCC1 352421073 AHYQMYFYFXWFLK-OAHLLOKOSA-N 266.429 3.597 30 20 CHED CC(C)[C@H]1C[C@H](NCc2nc(C#N)cs2)c2ccccc21 352942387 NCHMUADCCDPHMS-CVEARBPZSA-N 297.427 3.989 30 20 CHED C=C1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 353331659 NWWCDCOQJHMTFS-UHFFFAOYSA-N 271.282 3.579 30 20 CHED Cc1ccc(CN(CCC#N)CCC(C)C)cc1F 353418295 CQBVYFQYUWKMNU-UHFFFAOYSA-N 262.372 3.896 30 20 CHED N#Cc1cccnc1NCCCCc1ccc(F)c(F)c1 355743417 XJBLQIZHYJGHGO-UHFFFAOYSA-N 287.313 3.666 30 20 CHED N#Cc1ccc(NC[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] 357260099 HJQWFJSPJRJQQH-AWEZNQCLSA-N 293.326 3.608 30 20 CHED CCN(Cc1ccccc1C)c1cc(C#N)cc(C)n1 357443937 WWBRCFJFIKYHQW-UHFFFAOYSA-N 265.360 3.597 30 20 CHED C=CCCCC(=O)N[C@H]1CCCOc2ccc(F)cc21 359071631 LVALUAJVZIBNRL-AWEZNQCLSA-N 277.339 3.512 30 20 CHED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCC1CC1 359406384 IVZQTYBEGBUYSM-UHFFFAOYSA-N 294.354 3.875 30 20 CHED C=CCOCCCC(=O)N1c2ccccc2CC[C@@H]1CC 361319145 BDGFAWDSPKXEME-INIZCTEOSA-N 287.403 3.727 30 20 CHED CC1(c2cccc(Cl)c2)CCN(CCCC#N)CC1 361543162 LDBRUGNHJBLPRA-UHFFFAOYSA-N 276.811 3.997 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC(C3CC3)CC2)cc1 368636342 HSPNVAFLJDQSLX-CQSZACIVSA-N 284.403 3.599 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C[C@H]2CCOC2)C1 370690073 LTWALFFIXSTWOP-BPQIPLTHSA-N 298.430 3.758 30 20 CHED N#CCCCCNC1CC(c2cccc(Cl)c2)C1 378621358 HUFRGNVYRQKEIC-UHFFFAOYSA-N 262.784 3.869 30 20 CHED N#Cc1ccc(OC[C@@H]2CCCCC2(F)F)cc1 382106916 KMURLAFXKJEWBX-LBPRGKRZSA-N 251.276 3.763 30 20 CHED C=CCN(CCC)Cc1ccc2oc(C(=O)O)cc2c1 382487510 WWVXWNNWETYAPM-UHFFFAOYSA-N 273.332 3.529 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 408439856 WBOWEZSPKHRSGO-MWLCHTKSSA-N 277.755 3.522 30 20 CHED C=CCOc1ccc(CC(=O)N2[C@H](C)CCC2(C)C)cc1 411076673 RDULJZANAPLXBD-CQSZACIVSA-N 287.403 3.583 30 20 CHED C=CCCC1(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)CC1 411116513 VTOLTLRZCUFSJX-CQSZACIVSA-N 289.394 3.962 30 20 CHED C=CCN(CCc1cnn(CC)c1)CC1CCCCC1 411264038 URDABOPRXVSKDD-UHFFFAOYSA-N 275.440 3.514 30 20 CHED N#CCCSCc1nc2cc(C(F)(F)F)ccc2o1 413017591 ZGLGACAVDSOKDV-UHFFFAOYSA-N 286.278 3.993 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H]1C 413834766 MLPLOGGESLDWJJ-ZMSDIMECSA-N 286.419 3.614 30 20 CHED C=CCC[C@@H](NCC[C@@H]1CCCN(C)C1)c1ccco1 414178007 JPHPGVMAMJSREY-JKSUJKDBSA-N 276.424 3.608 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc([C@@H](C)C(=O)OC)c1 414492171 VTSGNKVILGTPDE-MJBXVCDLSA-N 275.392 3.976 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1csc(C)n1 414534770 KMNFREGHLSVYBU-HNNXBMFYSA-N 272.417 3.729 30 20 CHED COCCCCCOc1ccc(C#N)c2ccccc12 419056106 PQPYKMWRSZHJSQ-UHFFFAOYSA-N 269.344 3.907 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 424648342 LYYOGHNDAAQGQT-BYCMXARLSA-N 290.794 3.847 30 20 CHED Cc1cc(N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c(C#N)cn1 425224115 CULJCEAFCJWZND-ZFWWWQNUSA-N 295.361 3.783 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(C)c(OC)c2)no1 426453298 FBJGIVBTIOTQSY-UHFFFAOYSA-N 286.375 3.831 30 20 CHED Cc1ccc(C)c([C@H](C)N(C)C(=O)NCC2(CC#N)CC2)c1 431055534 YBMDXGIKJISFLW-HNNXBMFYSA-N 299.418 3.700 30 20 CHED C[C@@H]1CCCC[C@H]1OCCn1nc(C#N)c2ccccc21 432464862 RAUKKWGVGKGDNY-CXAGYDPISA-N 283.375 3.503 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC1CCC(CC)CC1 435752271 XGAVCOMPYQYHML-KNIAUWFNSA-N 251.414 3.526 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C 437704916 SWTHUCDKQRGWJI-ARFHVFGLSA-N 296.455 3.624 30 20 CHED C=CCC[C@H](O)CN1CC[C@H](c2ccccc2)C[C@@H]1C 439328668 MNBGOHALFXGSCU-SZMVWBNQSA-N 273.420 3.582 30 20 CHED CCOc1cc(Cl)ccc1N[C@H]1CC[C@@H](C#N)C1 442880237 XAZIBVIZSFPPGN-PWSUYJOCSA-N 264.756 3.843 30 20 CHED CCc1ccc([C@@H](CO)NCCCCC(C)(C)C#N)cc1 444681086 SILPMJRESNOMOB-QGZVFWFLSA-N 288.435 3.592 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 446096003 SONWMKDPWIKQRY-USXIJHARSA-N 286.419 3.662 30 20 CHED CC[C@H](NCCc1ccccc1F)c1ccc(C#N)cc1 447519460 QMJLQRSAHHRJMZ-SFHVURJKSA-N 282.362 3.981 30 20 CHED CC[C@H](N[C@@H](CC)[C@@H]1CCCO1)c1ccc(C#N)cc1 447590119 ZZXFZQSHKYABLP-ULQDDVLXSA-N 272.392 3.557 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)[C@@]1(C#N)C[C@@H]1C 448672107 ZMGYWTYBFFMRKU-IFXJQAMLSA-N 292.382 3.738 30 20 CHED CCC[C@H](CC(C)C)C(=O)NCC(C)(C)CCC#N 451773098 LGZSGAHAODZHEJ-CQSZACIVSA-N 266.429 3.895 30 20 CHED C=C(C)CCNC(=O)C(C)(C)c1ccc(CC)cc1 452718503 PVGNIKWMYSPLJC-UHFFFAOYSA-N 259.393 3.609 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 452775241 NRECFLDKNQVTTO-GHMZBOCLSA-N 295.785 3.911 30 20 CHED C=CC(C)(C)CNC(=O)c1cc2ccc(F)cc2nc1C 452776466 KRUWLSLYOWZLSU-UHFFFAOYSA-N 286.350 3.624 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 452783130 LTYNEPSZKHLERG-CVEARBPZSA-N 271.404 3.899 30 20 CHED C=C(C)CCN[C@H](C)c1ncc(Br)s1 453307257 BRUOJXSTVMRLMJ-MRVPVSSYSA-N 275.215 3.522 30 20 CHED C=CCC[C@H](NCc1cnc(C2CC2)o1)c1ccco1 453336026 AQKUQGZYVDVILH-AWEZNQCLSA-N 272.348 3.942 30 20 CHED C=C(CC)CN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 453370921 RIMJGCFERWRDRQ-PBHICJAKSA-N 277.383 3.849 30 20 CHED C=C(CC)CNC(=O)Nc1cc(Cl)ccc1C 454210218 SIEJAGHFTOZCGG-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=CC(C)(C)CNC(=O)N1CCC[C@@H]1C1CCCC1 455364050 IRDBXVOUFAZGNG-CQSZACIVSA-N 264.413 3.563 30 20 CHED C=CCC1(NC(=O)c2ccc3nccnc3c2)CCCCC1 456380155 JTEWNHBWQYTVSR-UHFFFAOYSA-N 295.386 3.639 30 20 CHED CC#CCN(C)C(=O)N[C@H](CC1CCC1)c1ccccc1 458619332 BNICBKJPWVSPFW-QGZVFWFLSA-N 284.403 3.583 30 20 CHED N#CCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 459751729 QIUBZSSTZPJJOQ-INIZCTEOSA-N 254.377 3.907 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(CC#N)c1ccccc1 460051195 BLZMDPGZYPYSJE-HOCLYGCPSA-N 270.376 3.760 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(Cc2ccccc2)no1 461792192 YGZGHZLUDXLJAP-ZDUSSCGKSA-N 289.338 3.684 30 20 CHED C[C@H](C(=O)NC[C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 461925937 AMKURGXNYBRMAT-IJEWVQPXSA-N 284.403 3.604 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC)c2ccccc12 466527057 DOPHOYSDKVQLOT-CYBMUJFWSA-N 283.371 3.933 30 20 CHED Cc1ccc([C@@H](C)N(C)CCCSCC#N)c(C)c1 466726239 GZEFBKWEYJTFHY-OAHLLOKOSA-N 276.449 3.943 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)s1 466771714 NJEMAWYVYHCIRG-LBPRGKRZSA-N 276.405 3.661 30 20 CHED CCN(Cc1cc(F)ccc1C#N)c1cccc(OC)c1 468932238 KQAXTDHDSVHNDD-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC(CC)CC 471474713 GQNLINVUXNUTFZ-UHFFFAOYSA-N 274.408 3.963 30 20 CHED C[C@@H](CCOc1ccc(C#N)cc1)OCc1ccccc1 473666919 MAXPSMOXWCKRRR-HNNXBMFYSA-N 281.355 3.932 30 20 CHED CC1(C)CCCN(CCCc2ccc3c(c2)CCO3)[C@@H]1C#N 482463244 MCVCOAGQORJZPA-GOSISDBHSA-N 298.430 3.568 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(C#N)c(F)c1 483963305 QMWVRMQPYUFQMV-SUYBPPKGSA-N 272.367 3.850 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@H]1CCC(C)C 486937496 QSFKJDPEHBUNPC-GJZGRUSLSA-N 266.429 3.809 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc2scnc2c1 488267838 VTVMAQDYJFLEAN-GFCCVEGCSA-N 287.388 3.869 30 20 CHED CCc1cccc(NC(=O)c2sccc2C#N)c1CC 489653231 ILOISMVCQPTEQD-UHFFFAOYSA-N 284.384 3.997 30 20 CHED C=CCC(C)(C)CNC(=O)C/C=C\c1ccccc1F 489911970 UAECKTJEFBTMON-CLFYSBASSA-N 275.367 3.948 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCCCC(F)(F)C1 490302910 UMTBSVYDWMTVSI-CHWSQXEVSA-N 288.382 3.856 30 20 CHED C=CCN(C/C=C/c1ccncc1)CCc1ccccc1 494980230 YUYOIVCJDOBZHD-RMKNXTFCSA-N 278.399 3.826 30 20 CHED COc1ccc(OCCSc2ccccc2C#N)cc1 496202594 HJQBANFEXXAISY-UHFFFAOYSA-N 285.368 3.738 30 20 CHED C=C(C)CCc1noc(-c2cc(-c3ccc(C)cc3)[nH]n2)n1 508608123 GSJWGVHDJJSAMD-UHFFFAOYSA-N 294.358 3.944 30 20 CHED C[C@H]1CCC[C@H](C)C1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 516256398 UTCVHAOUSUJEHE-MGBSGCIJSA-N 296.414 3.603 30 20 CHED C=CC[C@H](CC)NCCC(=O)Nc1ccc(Cl)cc1 517025947 VITOCIWOZNOTGO-ZDUSSCGKSA-N 280.799 3.613 30 20 CHED CC[C@@H]1CC(=O)c2c(nc3ccc(C#N)cc3c2C)C1 519528387 HPHBBVCQMXETHU-NSHDSACASA-N 264.328 3.570 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 527871722 SEUUDGFVKKUPTP-UHFFFAOYSA-N 283.375 3.756 30 20 CHED N#CCCCOc1cc(Cl)ccc1Br 530126812 VFZMUIFEFQOOEY-UHFFFAOYSA-N 274.545 3.785 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1ccc(F)c(C#N)c1 532344033 BMJVJSGJANLOHS-LBPRGKRZSA-N 298.336 3.956 30 20 CHED C=CC1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 532965561 ATBYNADCTYPZIL-GFCCVEGCSA-N 292.810 3.565 30 20 CHED C=CCN(CC=C)C(=O)c1[nH]c(-c2cccc(C)c2)nc1C 534495929 ZGWLKAAUTYRLKD-UHFFFAOYSA-N 295.386 3.508 30 20 CHED C=CCCc1csc(-c2ccc3c(c2)CCO3)n1 535593683 YORNOGANGGGYCZ-UHFFFAOYSA-N 257.358 3.864 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCCC(C)(C)C1 535911843 YNOWAAWHHGYYFC-AWEZNQCLSA-N 278.440 3.991 30 20 CHED C=CCN(C(=O)NCC[C@@H]1CCCC[C@H]1C)C1CC1 536797636 ORKXXNVBAYBRQI-KGLIPLIRSA-N 264.413 3.563 30 20 CHED COC[C@@H](C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N 538072842 UTHWDGIQKJNXBU-JTQLQIEISA-N 294.420 3.528 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@H]1CCCC[C@@H]1C 538265013 NSDHAKHUUJXTCH-HOTGVXAUSA-N 281.440 3.787 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@H](C)C(C)(C)C 538295704 CZMXKAJPMGZRHT-CQSZACIVSA-N 269.429 3.642 30 20 CHED C=CCCC[C@H](C)NC(=O)COC/C=C/c1ccccc1 538334063 PIKSVUCVUICYCS-WQMJKPAKSA-N 287.403 3.577 30 20 CHED C=C(C)CN[C@H](C)c1ccc(OCC(C)C)c(OC)c1 539269696 XQVJJGLDJPWDIB-CQSZACIVSA-N 277.408 3.957 30 20 CHED CCCCN1CCCC[C@H]1CN[C@H](C)c1cccc(C#N)c1 540595023 SISKCAMMBZJIBR-APWZRJJASA-N 299.462 3.863 30 20 CHED C=C(C)[C@@H](CC(=O)NCC1(CC)CCCCC1)OCC 545838743 VTHMQVJCVPLSNP-OAHLLOKOSA-N 281.440 3.834 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 546588561 GJXXADOGSHXHBK-CQSZACIVSA-N 297.402 3.887 30 20 CHED C=CCC(C)(C)c1noc([C@@H]2CCO[C@H](CCC)C2)n1 551137801 BOMVBEKHTPIZLA-CHWSQXEVSA-N 278.396 3.986 30 20 CHED CC[C@@](C)(C#N)C(=O)NCC1(Cc2ccccc2)CCCC1 552426413 JJMZJDYEUINJSK-SFHVURJKSA-N 298.430 3.846 30 20 CHED N#Cc1c(NC2CCCCC2)nc2cc(Cl)ccn12 552894708 IAZGPRWMSPMZJT-UHFFFAOYSA-N 274.755 3.604 30 20 CHED Cc1ccc(C)c(-n2ncc(N[C@@H]3CC[C@@H](C#N)C3)c2C)c1 555951420 NYWATACDVUTVGW-HZPDHXFCSA-N 294.402 3.902 30 20 CHED C[C@@H](Cc1ccccc1C(F)(F)F)N(C)CC1(C#N)CC1 561897834 GIYFGRWEAPIICV-LBPRGKRZSA-N 296.336 3.872 30 20 CHED CC1=C(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCC1 563608752 GPQJRSIHWAFMTC-KRWDZBQOSA-N 280.371 3.552 30 20 CHED C=CCC(C)(C)c1noc(-c2cccnc2OC(C)C)n1 565906928 MJXBJQNWYDXQMC-UHFFFAOYSA-N 287.363 3.773 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc(N(C)C)cc2C)no1 573246295 CXSHHYOULLNHMW-KRWDZBQOSA-N 285.391 3.965 30 20 CHED Cc1ccc(Cc2noc(-c3ccc(C#N)cc3)n2)s1 576265347 KLXYMZNPXWRUCR-UHFFFAOYSA-N 281.340 3.569 30 20 CHED CC(C)(C)[C@@H](Nc1cc(C#N)ncn1)c1ccccc1 577044537 QWHKZGQPHPBDDZ-HNNXBMFYSA-N 266.348 3.548 30 20 CHED N#Cc1cnc(Nc2ccc([C@@H]3CCOC3)cc2)c(Cl)c1 577655092 XFPGDKZJESGFCD-CYBMUJFWSA-N 299.761 3.854 30 20 CHED Cc1ccccc1/C=C1/Cc2cc(O)ccc2C1=O 588535209 VMHMITNLURMPFW-ZSOIEALJSA-N 250.297 3.523 30 20 CHED CCN(C)c1ccc(/C=C\C(=O)c2ccc(C)s2)cn1 588581178 RHAFIUHAPCUIFG-VURMDHGXSA-N 286.400 3.804 30 20 CHED N#CCCCCCC(=O)N1CCCc2cccc(F)c21 588841413 DTFVODBAZDHYEP-UHFFFAOYSA-N 274.339 3.579 30 20 CHED N#CCCCCCc1nc(CCCc2ccsc2)no1 589135429 DEDBWLULSGQABQ-UHFFFAOYSA-N 289.404 3.933 30 20 CHED N#Cc1cccc(Cl)c1N1CCNc2ccccc2C1 589559456 LZRKCXGJEWOOML-UHFFFAOYSA-N 283.762 3.644 30 20 CHED CCN(CCC(F)(F)F)C(=O)Nc1cc(C)cc(C#N)c1 590858572 MJRMJCADAXCYCW-UHFFFAOYSA-N 299.296 3.673 30 20 CHED COc1ccc(-c2ccccc2N(C)C)cc1C1(C#N)CC1 592985457 MIJFFISKXBGHBA-UHFFFAOYSA-N 292.382 3.983 30 20 CHED C[C@H]1CC[C@H](C(=O)Nc2ccccc2CC#N)CC1 593150674 QAGCLDDQNITQLY-MQMHXKEQSA-N 256.349 3.517 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCC(C)(C)C1 594013794 BLMSYJLJSHUPDL-PBHICJAKSA-N 298.430 3.774 30 20 CHED Cc1nccc(-c2cccc(NCC3(CC#N)CC3)c2)n1 594701559 PHDWUGVTVUVJOU-UHFFFAOYSA-N 278.359 3.558 30 20 CHED COc1ccc([C@@H](C)CSc2cc(C#N)ccn2)cc1 594886500 UTFRBOHHIIVEOH-LBPRGKRZSA-N 284.384 3.858 30 20 CHED N#Cc1ccc(CCN[C@H]2CCc3cc(F)ccc32)cc1 595055488 FSPCKIWVAVDPFB-SFHVURJKSA-N 280.346 3.517 30 20 CHED CSCC1(CCN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 595065923 GUWBXOQTQXBEES-LBPRGKRZSA-N 292.423 3.881 30 20 CHED COc1ccc([C@@H]2CCN([C@@H](C#N)c3ccccc3)C2)cc1 595300175 AVVAXUQPXKAJET-MJGOQNOKSA-N 292.382 3.749 30 20 CHED N#C[C@@H](c1ccccc1)N1CCCc2ccccc2C1 595309837 BMJSVPKSBQMVHZ-SFHVURJKSA-N 262.356 3.700 30 20 CHED CC1(C)C[C@@]1(NCc1ccc(C#N)cc1)c1ccccc1 595911564 YORXPSRWHOMKKT-LJQANCHMSA-N 276.383 3.973 30 20 CHED C[C@H]1CN(c2nc(C#N)c(Cl)s2)[C@H]1c1ccccc1 596144014 ZQWVPLLOMSQVFC-JOYOIKCWSA-N 289.791 3.866 30 20 CHED CC(C)(C)c1nn(CCC2CCC2)c(O)c1CCC#N 596260075 GZGIUOCPKZWXNJ-UHFFFAOYSA-N 275.396 3.533 30 20 CHED N#CC1CCC(CNC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)CC1 597616034 BNUZGLSXBLOLGQ-NDQLQDMOSA-N 288.435 3.649 30 20 CHED N#Cc1cccc2c1CCN2C(=O)c1ccc(C2CC2)cc1 597788836 PBUSOUFBBPVXGB-UHFFFAOYSA-N 288.350 3.639 30 20 CHED CC(C)(C)c1ccc(CC(=O)N2CCC[C@@H](CC#N)C2)cc1 597907520 CIZNYZQUZNTPMJ-INIZCTEOSA-N 298.430 3.679 30 20 CHED CC(C)C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597909553 NEZKZYYDBZRDTD-FUHWJXTLSA-N 298.430 3.969 30 20 CHED CC[C@H](C(=O)N(CC)[C@@H](C)C#N)C1CCC(C)CC1 598361286 GBRUQNDJFRVVHI-SHWKFHJASA-N 264.413 3.599 30 20 CHED N#Cc1ccc(CN[C@H](CCc2ccccc2)C(F)F)o1 598995495 ZEDZKFXRBQGNEL-OAHLLOKOSA-N 290.313 3.507 30 20 CHED CCC(C#N)(CC)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 599879728 FIQKBQLHDNZXHU-UONOGXRCSA-N 290.794 3.642 30 20 CHED N#Cc1cc(F)cc(NCc2ccc3ncccc3c2)c1 600861961 QZFKQBFNDICFOL-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1N 602445518 WQZWGLBPDDBYFH-UHFFFAOYSA-N 297.377 3.692 30 20 CHED C[C@H](CCC#N)CN1CC[C@@H](Cc2ccc(F)cc2)C1 602469126 ADADDMBIEJOXIZ-ZBFHGGJFSA-N 274.383 3.630 30 20 CHED C[C@@H](CCC#N)CN[C@@H](C)c1nc(C(F)(F)F)cs1 602642002 WXMPALQAMNOYAU-IUCAKERBSA-N 291.342 3.752 30 20 CHED Cc1ccc2c(c1)[C@H](NC[C@@H](C)CCC#N)CCC2 602673282 QLQUOLHKGZRPOJ-WMLDXEAASA-N 256.393 3.902 30 20 CHED CC[C@@H](c1cccc(OC)c1)N(C)CC1(CC#N)CC1 602833279 MZSGXDLRBSOANN-INIZCTEOSA-N 272.392 3.772 30 20 CHED N#CCC1(CN2CCC3(CCc4ccccc4O3)CC2)CC1 602903402 OYBRGKXJHRRZJU-UHFFFAOYSA-N 296.414 3.540 30 20 CHED COCc1cc(C#N)ccc1NCc1sccc1C 603280152 WLKHPACFPPTRIU-UHFFFAOYSA-N 272.373 3.687 30 20 CHED CN(Cc1cn2ccccc2c1C#N)CC1CCCCC1 603580869 FKOUKXDYOHVNKU-UHFFFAOYSA-N 281.403 3.823 30 20 CHED CCCCOCCNc1ccc(C#N)cc1C(F)(F)F 609962412 XKNKSPNGBPJFQE-UHFFFAOYSA-N 286.297 3.806 30 20 CHED C[C@@H](C#N)CN(C)CCCc1ccc(C(F)(F)F)cc1 610504284 GFYPFTNLXRBNNW-LBPRGKRZSA-N 284.325 3.729 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N(C)c2ccc(C#N)cc2F)C1 611539262 SEJPYVUXOWYWQY-IMRBUKKESA-N 288.366 3.732 30 20 CHED CCC[C@H](Nc1cccc(C#N)c1)c1cccnc1 612876358 LIOFZCXBZBDKAK-INIZCTEOSA-N 251.333 3.907 30 20 CHED CC[C@@H](CC#N)NCc1ccc(OC)c(O[C@@H](C)CC)c1 613044496 YBGMZYKBKXNVGC-ZFWWWQNUSA-N 290.407 3.654 30 20 CHED C=CCCNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 617615422 LFRPVNQRFBXJPW-UHFFFAOYSA-N 285.309 3.675 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2occc2C(C)C)C1 617779233 XMFXZQDQYBMEJU-CYBMUJFWSA-N 261.365 3.831 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3S2)C1 617787505 PVXOVJPJDZSWRT-XJKSGUPXSA-N 287.428 3.518 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccccc2SC)C1 617788698 PBOKICHUMAPILI-ZDUSSCGKSA-N 275.417 3.837 30 20 CHED C[C@H](Nc1cc(C#N)ncn1)c1cc2ccccc2s1 617950243 ZTFFPPDWFNOOJW-JTQLQIEISA-N 280.356 3.736 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2cnccc2c1 618741870 NIGXSRKFKOKFEK-HXUWFJFHSA-N 299.377 3.884 30 20 CHED C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC(C)(C)C#N 619612195 CREWESCEUYVJPX-NSHDSACASA-N 284.325 3.776 30 20 CHED C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccco1 619754690 IDCVDXFEYOBXHF-JTQLQIEISA-N 260.724 3.655 30 20 CHED C=CCCOCC(=O)Nc1c(C)cccc1C(C)C 620326339 IAWGWNKTACVUGV-UHFFFAOYSA-N 261.365 3.650 30 20 CHED C=CCN(Cc1c(F)cccc1Cl)[C@@H](C)COC 621317779 ZEUJINYBWPWHLG-NSHDSACASA-N 271.763 3.502 30 20 CHED C=CCCCCCN(C)[C@@H](c1nccn1C)C1CC1 638094787 LJJHAMFQAINGBC-OAHLLOKOSA-N 261.413 3.549 30 20 CHED CC#CCN(C)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 653023525 MPABIGFKVFNXCM-UHFFFAOYSA-N 284.281 3.501 30 20 CHED C=CCC1(C(=O)N[C@@H](C)Cc2ccccn2)CCCCC1 654129667 MAAXMERKXPMTEI-HNNXBMFYSA-N 286.419 3.655 30 20 CHED C=CCC1(NCc2ccc(SC)cc2)CCOCC1 657633052 REPZKNKMTXLYSN-UHFFFAOYSA-N 277.433 3.623 30 20 CHED C=CCC1(NCc2ncc(CC)s2)CCCC1 657701884 DEHQZSLHDOHKDB-UHFFFAOYSA-N 250.411 3.684 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1sccc1C 663823903 JLUHLLGNCXLDDY-UHFFFAOYSA-N 266.410 3.601 30 20 CHED C=CCC[C@@H](NC(=O)[C@H](CC)OCC)c1ccccc1 665772763 NSKRPZXXZLLWRK-CVEARBPZSA-N 275.392 3.625 30 20 CHED C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 667868774 FAJNJJYJRNNNGM-VNQPRFMTSA-N 257.377 3.530 30 20 CHED C=CCOc1ccc(CNc2ncc(Cl)s2)cc1 672319418 PJAAAIPWVDRJRK-UHFFFAOYSA-N 280.780 3.973 30 20 CHED COCC#CCN(Cc1cccc(C(F)(F)F)c1)C(C)C 677817733 AOYKQFNTTNWETI-UHFFFAOYSA-N 299.336 3.566 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(O)c(F)c1 684333195 OREGKGCJKPYCJK-UHFFFAOYSA-N 299.345 3.750 30 20 CHED CC(=NNc1ncnc2sccc12)c1cccc(F)c1 725818488 OTLWKGBHRGTEMH-UHFFFAOYSA-N 286.335 3.667 30 20 CHED CCOCC(C)=NN[C@@H](C)c1ccc(C(C)C)cc1 726420667 SJYOMHNXNOFRSQ-AWEZNQCLSA-N 262.397 3.873 30 20 CHED C[C@@H](NC(=S)Nc1cccc(C#N)c1)c1cccs1 726437382 CWHXQHAKLRVONC-SNVBAGLBSA-N 287.413 3.667 30 20 CHED C=C(Cl)COC(=O)Cc1nc(-c2ccsc2)oc1C 727022907 OZFJAPWPJAXOOY-UHFFFAOYSA-N 297.763 3.550 30 20 CHED C#CCCCOC(=O)[C@@H](C)Sc1ccc(Cl)cc1 727040563 KFGKTAOWZPYAIB-LLVKDONJSA-N 282.792 3.777 30 20 CHED Cc1cc(C=NNCCCOc2ccccc2)ccc1F 729147930 OKUVMECGHOWYSH-UHFFFAOYSA-N 286.350 3.527 30 20 CHED C=C(Br)CN(C1CC1)[C@H](C)[C@@H](C)CC 729545311 SVDYUPBWXWQCCC-GXSJLCMTSA-N 260.219 3.794 30 20 CHED CCOc1ccc(O)c(/C=N\Cc2cc(F)ccc2F)c1 729641035 ASDWKAJTGWATAQ-GRSHGNNSSA-N 291.297 3.688 30 20 CHED COc1cccc(/C=N\[C@@H]2CCc3c(C)cccc32)c1O 729641153 DAODNYAEXJDLJW-VXIUPONVSA-N 281.355 3.816 30 20 CHED C[C@@H](CC(=O)N(CCC#N)c1ccc(F)cc1)C1CC1 732094689 ZWTRXPQGANZEIV-LBPRGKRZSA-N 274.339 3.509 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1 732762230 CXPXVERGGUATEH-QMTHXVAHSA-N 285.303 3.757 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)nc1 734398407 CRBJKYHLKSESSW-INIZCTEOSA-N 286.419 3.644 30 20 CHED C/C=C\COc1ccc(CCC(C)=NNCC(F)F)cc1 740616952 ZJGMFCISEDIMMB-XITBIDBVSA-N 296.361 3.805 30 20 CHED CCCCCCCCN1CC[C@H](N2CCCCC2)C1 740877583 KIHLQIXIAFRZPR-KRWDZBQOSA-N 266.473 3.907 30 20 CHED CCCCCC[C@H](C)C(=O)N(CCC#N)CC1CC1 742066304 UFMSHNWRKHJKJP-AWEZNQCLSA-N 264.413 3.745 30 20 CHED Cc1ccc(C)c(CNCc2cc(C#N)ccc2F)c1 742381796 JXPNMKIBEYKSDY-UHFFFAOYSA-N 268.335 3.604 30 20 CHED CCCCCC[C@H](C)NN=C(CC)[C@@H]1CCOC1 743450734 PAJLZDPKXLMFIS-UONOGXRCSA-N 254.418 3.737 30 20 CHED C#C[C@@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc12 744178655 GMLZVURHOPKJPZ-GFCCVEGCSA-N 291.306 3.673 30 20 CHED CC#CCOC(=O)C1(c2cccc(Cl)c2)CCCC1 744744723 ISJZEZSRGJRUGJ-UHFFFAOYSA-N 276.763 3.718 30 20 CHED C=CCSCCNC(=S)Nc1cccc(C)c1C 745019897 WGQWVEZLMBJCAT-UHFFFAOYSA-N 280.462 3.509 30 20 CHED CC(=NNc1oc(C(C)(C)C)nc1C#N)c1ccc(C)cc1 746498223 SWWSCUIGWZWPLK-UHFFFAOYSA-N 296.374 3.988 30 20 CHED FC(F)(F)c1ccc(NN=Cc2cncs2)cc1 746577485 GJTHSQXXMDBYDV-UHFFFAOYSA-N 271.267 3.608 30 20 CHED CC[C@H](SC)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 747200989 MZNHVRSAOPDRDF-WFASDCNBSA-N 284.384 3.553 30 20 CHED Cn1c(NN=C/C=C/c2ccc(F)cc2)nc2ccccc21 747752721 BTMNSGYPEKYEDS-RWJNBJNUSA-N 294.333 3.824 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1F 748686307 VAJFYDWDLAFIBR-LBPRGKRZSA-N 283.302 3.924 30 20 CHED COCCON=C(C)c1cc2c(ccc3ccccc32)o1 748791167 GYFYNCSGQBRKBY-UHFFFAOYSA-N 283.327 3.973 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)OCCCCC#N)cc1 750523545 PATHMYXXJVUDPC-ZDUSSCGKSA-N 275.348 3.715 30 20 CHED CC(C)[C@H](OC(=O)c1ccc(C#N)s1)c1ccccn1 750697174 FIOGWCPJNGGIMJ-AWEZNQCLSA-N 286.356 3.569 30 20 CHED COc1ccc(C=NNc2ccc(C)cc2)cc1F 751342405 MZWDRUAWSPGZMS-UHFFFAOYSA-N 258.296 3.589 30 20 CHED CCCCCC1=CCCC1=NNC1=N[C@@H]2CCCC[C@@H]2N1 753932904 BFSDIIOIJORVNO-IYBDPMFKSA-N 288.439 3.503 30 20 CHED C#CC(=O)N[C@H](CCC(C)C)c1ccc(Cl)cc1 753949985 WLZNPQZKCQASEY-CQSZACIVSA-N 263.768 3.567 30 20 CHED COc1ccc(NN=C2CCc3c(cccc3OC)C2)cc1 754964959 SPHUIYLHIJKNFM-UHFFFAOYSA-N 296.370 3.661 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cc1)c1cccnc1 756421238 YMXDZSVSLQBJPJ-QGZVFWFLSA-N 265.360 3.584 30 20 CHED CC[C@@H](/N=C\c1ccccc1O)c1c(C)noc1C 756846264 HQINAUURIRFYFN-WPBJZHHJSA-N 258.321 3.567 30 20 CHED O=C(/C=C\c1ccc(Cl)c(F)c1)c1ccc(O)cc1O 757467890 OBEXBROIZQCMJD-KXFIGUGUSA-N 292.693 3.786 30 20 CHED CCC(=NNc1ccc(Cl)c(Cl)c1)c1ccn(C)n1 758106225 YDYSFURBBOLETN-UHFFFAOYSA-N 297.189 3.953 30 20 CHED CC[C@H]1CCCC1=NNc1nc2cc(F)c(F)cc2[nH]1 758373339 WJXOPOVXKKHOCC-QMMMGPOBSA-N 278.306 3.819 30 20 CHED C#CCCCCNC(=O)c1ccc([C@@H](C)CC)cc1 758639123 CRAHXBBSFLHEKL-AWEZNQCLSA-N 257.377 3.733 30 20 CHED C[C@@H](CC(=O)Nc1ncc(C#N)s1)C1CCCCC1 759633641 KNEHCNIGXFIHHA-JTQLQIEISA-N 277.393 3.560 30 20 CHED CC#CCCOC(=O)[C@@H](C)CSc1ccc(F)cc1 760289808 PQZQILNUXMWWII-LBPRGKRZSA-N 280.364 3.511 30 20 CHED C#CCCNc1ccc(OCc2cccc(C#N)c2)c(F)c1 760296359 ODVKBAWRJYNDBM-UHFFFAOYSA-N 294.329 3.712 30 20 CHED Cc1ccc(NN=Cc2c(Cl)oc3ccccc23)nn1 761259807 XOBGOCQVALFELN-UHFFFAOYSA-N 286.722 3.631 30 20 CHED C=CCCC(=O)COC(=O)C[C@@H](C)CC(C)(C)C 761381805 MMDMSJZIHZBAKX-GFCCVEGCSA-N 254.370 3.527 30 20 CHED C#CCCc1noc(CCc2ccc3ccccc3c2)n1 762007018 ODALICZVIFQRTE-UHFFFAOYSA-N 276.339 3.574 30 20 CHED C=CCN(CC=C)C(=O)CSC(CC)(CC)CC 762969019 JHRAULSPLMPGTM-UHFFFAOYSA-N 269.454 3.889 30 20 CHED C=C(CC)COC(=O)CCc1cncc2ccccc12 765564956 MZZOGPAJMQNICN-UHFFFAOYSA-N 269.344 3.677 30 20 CHED C=CC[C@@H]1N(C(=S)NCC(=C)C)CCCC1(C)C 766526785 YMENGXVGVPGWPU-ZDUSSCGKSA-N 266.454 3.504 30 20 CHED CC#CCCCC(=O)OCc1ncc(Cl)cc1Cl 767668148 UVCRHSKINOWUDA-UHFFFAOYSA-N 286.158 3.625 30 20 CHED C=CC[C@H](C)C(C)=NNc1ccc(OC)cc1[N+](=O)[O-] 767803753 QMDIYPFFZDEECL-JTQLQIEISA-N 277.324 3.603 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)c(F)c2)c(C)o1 767901367 RSNDDBOASZWOES-UHFFFAOYSA-N 268.238 3.760 30 20 CHED O=C(/C=C\c1ccccc1OC(F)F)c1cscn1 769259723 KEVNZZLKPVOVPQ-WAYWQWQTSA-N 281.283 3.641 30 20 CHED Cc1cccc(F)c1NN=Cc1csc([N+](=O)[O-])c1 769839524 DLJPEPUISFGHPZ-UHFFFAOYSA-N 279.296 3.550 30 20 CHED N#Cc1cccc(COC(=O)CCC2CCCCC2)c1 770511594 COCDVAUZIAGZKW-UHFFFAOYSA-N 271.360 3.962 30 20 CHED C=C(Cl)CNC(=O)N1CC=C(c2cccc(C)c2)CC1 770779787 WLKRVOITLNSFIG-UHFFFAOYSA-N 290.794 3.546 30 20 CHED CCON=C(C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 771096243 CYLKDLOTQHFGGF-CQSZACIVSA-N 295.354 3.534 30 20 CHED CC(=NNc1nccnc1C(C)C)c1ccccc1F 773094285 QJGKHQDPXYOLFW-UHFFFAOYSA-N 272.327 3.575 30 20 CHED CC(=NN[C@@H]1CCCCC1(C)C)c1csc(C)n1 773123643 BAOQDYWCVKJEJI-CYBMUJFWSA-N 265.426 3.734 30 20 CHED COc1ccc(C=NN[C@H]2CCCCC2(C)C)cc1OC 773125917 RGLDZTZPOAOJJK-INIZCTEOSA-N 290.407 3.596 30 20 CHED CCN(C)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 773815083 YEIUYLCFLJKLCG-OAHLLOKOSA-N 293.414 3.865 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCCNc3ccccc32)c1 774253136 NDLFODNKVHLQAM-SFHVURJKSA-N 295.361 3.734 30 20 CHED C#CCCCCC(=O)Nc1ccc(O)c2ccccc12 774261650 BXRXOGTVQDEPMK-UHFFFAOYSA-N 267.328 3.678 30 20 CHED CCCC(CC)=NNC(=S)Nc1ccccc1OC 776183978 VPYZIRWQRSBHIF-UHFFFAOYSA-N 279.409 3.548 30 20 CHED C=C(C)CN(C)C(=O)/C=C/c1ccc2cc(OC)ccc2c1 778120801 DJEKWUAYVSYOGW-UXBLZVDNSA-N 295.382 3.896 30 20 CHED C#CCCCOC(=O)[C@H](CCC=C)c1ccccc1 778559006 IPGSEPBEOBPJNJ-MRXNPFEDSA-N 256.345 3.693 30 20 CHED C=CCN(CCc1ccco1)C(=O)C(F)=C1CCCC1 779140430 AWTMWHWKFYOBNC-UHFFFAOYSA-N 277.339 3.634 30 20 CHED C#CCCCCCC(=O)N(C)C1CCC(CC)CC1 779810248 ZUYLVLLJBOHUON-UHFFFAOYSA-N 263.425 3.997 30 20 CHED CCCCCCCCNC(=O)[C@@H]1CCO[C@@H](CC)C1 779944091 ZYLOMKCCKSQVRG-CABCVRRESA-N 269.429 3.668 30 20 CHED CC1=C(C(=O)OCc2ccc(Cl)cc2C#N)CCC1 780042452 UQHBGZNWDWXPJR-UHFFFAOYSA-N 275.735 3.755 30 20 CHED Cc1nn(-c2ccccc2)cc1C=NN[C@@H]1CCCC1(C)C 782287154 KHPOTESKSIKRKB-QGZVFWFLSA-N 296.418 3.683 30 20 CHED Cc1cncc(C(=O)/C=C\c2scnc2C2CC2)c1 782350554 AEMVXAGQWNHQRK-PLNGDYQASA-N 270.357 3.620 30 20 CHED C=C[C@H](C)OC(=O)C[C@@H](C)c1c[nH]c2ccccc12 786505707 ZWRFKYOAHQHLPY-NEPJUHHUSA-N 257.333 3.779 30 20 CHED C#CCSc1ccc(COC(=O)C(C)(C)CC#C)cc1 788470665 WDRDECDPOATECG-UHFFFAOYSA-N 286.396 3.505 30 20 CHED CCSCc1ccccc1C(=O)OCCCCC#N 789099005 CMGYIKQWNYZPDW-UHFFFAOYSA-N 277.389 3.790 30 20 CHED CCC(=NN1CCC(C(C)(C)C)CC1)C1CCOCC1 790181045 MJCVDLGPPBIFOQ-UHFFFAOYSA-N 280.456 3.937 30 20 CHED CC[C@@H](C)NN=Cc1c(-c2ccccc2)nc2ccccn12 790184195 ZEQCSVXORUAECH-CQSZACIVSA-N 292.386 3.723 30 20 CHED CN(CCc1ccccc1F)Cc1ccc(C#N)c(F)c1 792222149 QRUAPMABFKXBIE-UHFFFAOYSA-N 286.325 3.511 30 20 CHED C[C@H](NN=Cc1cc(Br)cs1)C(C)(C)C 793115095 KHSWUDPLMIYETE-QMMMGPOBSA-N 289.242 3.869 30 20 CHED CC[C@@H](C)CON=C1c2ccccc2CC12CCOCC2 793146979 WYNDLXUNCGJYLE-CQSZACIVSA-N 287.403 3.806 30 20 CHED COC(=O)c1csc(C(C)=NNc2ccc(C)cc2)c1 794855702 ZQSDYXLQZSXTLU-UHFFFAOYSA-N 288.372 3.679 30 20 CHED CC(C)CC(=NNc1cncnc1)c1ccc(Cl)cc1 794972961 QHFQXGSEIZRQMC-UHFFFAOYSA-N 288.782 3.992 30 20 CHED COc1ccc([C@H](C)C(C)=NNc2ncccc2F)cc1 794981646 ZGOLFMCCWTTYRP-LLVKDONJSA-N 287.338 3.821 30 20 CHED CCO[C@H]1CC(=NNc2ncccc2F)C1(CC)CC 794989831 DOMBJNLERRMQLX-ZDUSSCGKSA-N 279.359 3.604 30 20 CHED CSC[C@H](C)C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 797571063 NDDOCZLHIMVWDT-VHSXEESVSA-N 296.461 3.616 30 20 CHED O=C(/C=C\c1ccccc1F)c1ccnn1-c1ccccc1 798371022 DVPSSUYQWQMWEH-KHPPLWFESA-N 292.313 3.908 30 20 CHED Cc1ccc(C(=O)OCc2cc(F)cc(F)c2)cc1C#N 799549414 PNKMMUUKOYQPSV-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1cc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)oc1C 799896893 KYRNCPNIAMUJMV-ONEGZZNKSA-N 277.301 3.762 30 20 CHED Cc1cc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)oc1C 799897860 SYDIHOPLJIBKGR-ARJAWSKDSA-N 278.254 3.776 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)CCCC 799948762 ZOKOVRRTLHHCPS-LBPRGKRZSA-N 277.339 3.603 30 20 CHED Cc1cc2cc(C(=O)/C=C\c3cn(C)cn3)oc2cc1C 800794735 OXESWKCYCJEPAZ-PLNGDYQASA-N 280.327 3.679 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccc(N2CCCCCC2)cc1 801776507 WTAXAEVFYNTGIO-OAHLLOKOSA-N 299.418 3.552 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] 804682404 IZMSQUCLYSMDCL-HZMBPMFUSA-N 296.754 3.641 30 20 CHED C[C@@H](N[C@@H]1CCc2nc(Cl)ccc21)c1ccc(C#N)cc1 806133677 PRVDSGZWJIDOLC-IAQYHMDHSA-N 297.789 3.945 30 20 CHED C=CCNC(=S)Nc1cccc(-c2ccccc2)c1 806587753 IBHHDBLWFFGWIK-UHFFFAOYSA-N 268.385 3.826 30 20 CHED CCCCC[C@H](NC1CCN(CC#N)CC1)C(C)(C)C 808693922 UWAOXGVXWSUUOT-INIZCTEOSA-N 279.472 3.559 30 20 CHED C#C[C@H](NCc1cc(C)c2ncccc2c1)C(C)(C)C 809781145 HWHOCARWZHAWOJ-INIZCTEOSA-N 266.388 3.681 30 20 CHED CC(C)(C#N)CCOc1cccc2c1[C@@H](O)CC(C)(C)O2 810010075 OBSFIFVJKNVCHW-LBPRGKRZSA-N 289.375 3.600 30 20 CHED CCCCNN=Cc1ncc(-c2ccccc2)s1 811638316 WHDGAYUIFPBGFF-UHFFFAOYSA-N 259.378 3.534 30 20 CHED C#C[C@@H](NC(=O)C1(C)CCCC1)c1ccc(Cl)cc1 811949180 RFHCPQWZZZTNDP-CQSZACIVSA-N 275.779 3.711 30 20 CHED C#CCCCCNC(=O)N[C@H]1CCCCC12CCCC2 812895409 ZEIAEEVMSPRXKX-HNNXBMFYSA-N 276.424 3.592 30 20 CHED CCN(C(=O)c1ccc(C#N)o1)c1ccc2ccccc2c1 814109344 QCQGAXBTXWSGCW-UHFFFAOYSA-N 290.322 3.971 30 20 CHED COCc1ccccc1/C=C(/C)C=NNc1ccc(F)cn1 814222178 ZQZIEHKPGKQMSO-CIRFYHHZSA-N 299.349 3.868 30 20 CHED COCc1ccccc1/C=C(\C)C=NOC/C=C/Cl 814228737 JHYXXJMILNMWIL-JOIUWMILSA-N 279.767 3.991 30 20 CHED C[C@H]1C(=NNc2cccc(Cl)c2)CC[C@@H]1CC(=O)O 814693333 KERPKCPEDVNUIS-NXEZZACHSA-N 280.755 3.629 30 20 CHED Cc1cc(Cl)cc(C=NNCc2ccccc2)c1 814752107 ZUPYFJIWLZMAPF-UHFFFAOYSA-N 258.752 3.772 30 20 CHED CC(=NOCc1ccccc1)[C@H](C)CCCCC(=O)O 814791661 IMWUAKTXYUKPBV-CYBMUJFWSA-N 277.364 3.860 30 20 CHED CC[C@@H](C=NOCc1cccnc1)c1ccccc1 814882409 NZMBMNZXIATYOJ-HNNXBMFYSA-N 254.333 3.778 30 20 CHED COc1cc(C(=O)O)ccc1NN=CC1CCC(C)CC1 814887822 YTSPXNGFFGVVCN-UHFFFAOYSA-N 290.363 3.617 30 20 CHED C#CCON=C(Cc1ccccc1Cl)c1ccoc1 814936427 RKCVLYDMIYFSCJ-UHFFFAOYSA-N 273.719 3.530 30 20 CHED C#C[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)c1 816178866 JEEUNBYDNPUWEF-SNVBAGLBSA-N 289.787 3.820 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1cc(O)ccc1C 816909171 IVCNXJIQXUAGPP-UHFFFAOYSA-N 295.382 3.572 30 20 CHED C#C[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1ccccc1 820605560 OELVBNJAWAZSOF-PVAVHDDUSA-N 284.403 3.581 30 20 CHED C#C[C@H](OC(=O)c1ccc(C)c(OC)c1)c1ccccc1 821613156 ZSHBWSREPAXECB-INIZCTEOSA-N 280.323 3.535 30 20 CHED C#Cc1cccc(NC(=O)C[C@@]2(C)CC2(Cl)Cl)c1 822321639 ULPASGOZHTZCSY-ZDUSSCGKSA-N 282.170 3.580 30 20 CHED C#CCCCNC(=O)[C@H](CCC)c1ccc(Cl)cc1 828995099 MNUVBWLRIFTSNS-OAHLLOKOSA-N 277.795 3.753 30 20 CHED C[C@H]1CC(=NNc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)O1 834952209 MUTZRCLSYFYXDU-DTWKUNHWSA-N 297.280 3.542 30 20 CHED C[C@@H]1CC[C@@H](C)C(=NNc2ccc(C(F)(F)F)nn2)C1 834967125 XVAUPZFLAQEECJ-RKDXNWHRSA-N 286.301 3.719 30 20 CHED CCC[C@H](C=NNc1c(F)cccc1Cl)OC 834970129 SOEKRVPWXDDDDJ-SECBINFHSA-N 258.724 3.692 30 20 CHED CC(=NNc1ccncn1)c1ccc(OCCC(C)C)cc1 835002295 OGTCQFFHRHTNGB-UHFFFAOYSA-N 298.390 3.738 30 20 CHED C=C(C)[C@H](C)OC(=O)c1cn(CC(C)C)nc1C(F)F 835298622 QGJKUQAGWQHFOE-JTQLQIEISA-N 286.322 3.598 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1ccc(SC)cc1 835392652 UBZKFDMOXBAKHJ-GLQYFDAESA-N 292.400 3.604 30 20 CHED C=CC(C)(C)COC(=O)c1csc(-c2ccccn2)n1 835724268 HXPNFBVGIOOWHO-UHFFFAOYSA-N 288.372 3.574 30 20 CHED C=CCCCC(=O)OCc1cnc2ccc(C)cc2c1 836107068 WCRBXAVXXCGTNM-UHFFFAOYSA-N 269.344 3.943 30 20 CHED CCCN(C(=O)C#CC(C)(C)C)[C@H]1CCc2ccccc21 837371878 IDGXSAGCIKWECX-KRWDZBQOSA-N 283.415 3.962 30 20 CHED C=CCCCCOC(=O)c1c(C)noc1C(F)(F)F 837562638 OEWCVPMIWXKRQD-UHFFFAOYSA-N 277.242 3.515 30 20 CHED CC(C)(C)C#CC(=O)Nc1ccccc1C(C)(F)F 837678676 HEVYQJPWALVJTI-UHFFFAOYSA-N 265.303 3.786 30 20 CHED C[C@@H]1CCC[C@H](OC(=O)[C@@]2(C#N)CC23CCCC3)C1 839212316 LBHDMNLFIKMPQK-WWGRRREGSA-N 261.365 3.582 30 20 CHED COCC[C@H](C)C/N=C\c1c(O)ccc2ccccc12 840709454 DGERSWYOKAJPIE-CYUIRQCWSA-N 271.360 3.637 30 20 CHED CC(C)c1nn(C)cc1-c1ccc2[nH]cc(CC#N)c2c1 844229101 FRXPCKYCRJYDRL-UHFFFAOYSA-N 278.359 3.758 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ncc(C2CCCCC2)s1 844613753 OXCIKAPHYZAETB-JTQLQIEISA-N 295.408 3.818 30 20 CHED C=CCCCCOC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F 845317324 UVNSFUHSYWSOEU-RYUDHWBXSA-N 294.313 3.634 30 20 CHED C=C(C)CONC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 845593903 USVYQQMFOSSYTH-NSHDSACASA-N 282.771 3.550 30 20 CHED C=C[C@@H](C)ONC(=O)C(C)(C)Cc1ccc(Cl)cc1 846553514 BYMXJVAHQSBWHG-LLVKDONJSA-N 281.783 3.531 30 20 CHED C=CCCC[C@H](C)OC(=O)c1ccc(C(F)F)nc1 847674393 QTGIVNJCRQSHRF-JTQLQIEISA-N 269.291 3.921 30 20 CHED Cc1noc(C)c1[C@H](C)CC(=O)O[C@@H](C)CC(C)(C)C#N 851207994 LSTZWKSTMSUVSZ-MNOVXSKESA-N 292.379 3.657 30 20 CHED C=CC(C)(C)CCOC(=O)c1ccc(OC)c(Cl)n1 851300000 IOIIDXFXGJLDLC-UHFFFAOYSA-N 283.755 3.503 30 20 CHED CC[C@H](c1ccccc1)N(CCO[C@H](C)C#N)C(C)C 852690589 KJTLNNXQQPIOIE-NVXWUHKLSA-N 274.408 3.777 30 20 CHED Clc1cc(NN=C2CC[C@H]3CNc4cccc2c43)ccn1 853395361 URPSCZCGKACEDK-JTQLQIEISA-N 298.777 3.854 30 20 CHED CCC(CC)=NNc1cc(C#N)ccc1Br 853396016 SEOCWBOSYQDYDO-UHFFFAOYSA-N 280.169 3.909 30 20 CHED C=C(Cl)CSCC(=O)Nc1ccc(C)cc1C 853782613 HTAMDDYSKCYCCZ-UHFFFAOYSA-N 269.797 3.728 30 20 CHED C#CC[C@H](NC(=O)N(CC)[C@H](C)CC)c1ccccc1 853911844 WMDRCMLEQKJXSC-ZBFHGGJFSA-N 272.392 3.581 30 20 CHED CCOc1cccc(/C=C/C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 860825824 QAPMDCILYPLDFA-FKLRVFMWSA-N 299.370 3.724 30 20 CHED N#CC1(C(=O)OC2CCC(F)(F)CC2)CCCCC1 860970233 MFAXBJDWTXMYKB-UHFFFAOYSA-N 271.307 3.582 30 20 CHED CCn1nc(C)c(C=NNc2cccc(F)c2Cl)c1C 863158766 PRAWIMPIMDSCEW-UHFFFAOYSA-N 294.761 3.758 30 20 CHED C[C@@H](CCC#N)CNc1ccc(OCC(F)F)cc1 876829645 MZLSXOGXIWHZKF-NSHDSACASA-N 268.307 3.682 30 20 CHED N#CCC1(CN(Cc2ccccc2O)C2CCCC2)CC1 878104613 VLFYGUCZHWSNAW-UHFFFAOYSA-N 284.403 3.831 30 20 CHED C=CCCCCCCNC(=O)c1cnn(CC)c1C1CC1 879979537 QZODIHZCYCDKPG-UHFFFAOYSA-N 289.423 3.647 30 20 CHED C#CC[C@@H](NCc1ccc(SC)o1)c1ccccc1 883076510 FSPQYBSCPPEFQR-OAHLLOKOSA-N 271.385 3.856 30 20 CHED C=C1CCC(C(=O)OCc2cc(Cl)ccn2)CC1 888715143 OABYFQNGJFPDLG-UHFFFAOYSA-N 265.740 3.525 30 20 CHED C=CCCOCCCCC(=O)Oc1ccc2cnccc2c1 893835649 OMRODACSHDZPHB-UHFFFAOYSA-N 299.370 3.903 30 20 CHED COc1ccc([S@@](=O)CCCCC2(C#N)CCC2)cc1 899276104 KVVLIBFCCKEMKQ-FQEVSTJZSA-N 291.416 3.667 30 20 CHED C=C(C)c1cccc(NC(=O)CC(C)(C)CC(=O)O)c1 899854873 OYKLGPHGOMALPU-UHFFFAOYSA-N 275.348 3.549 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(Cl)cc1F 901317216 HUFRFGZQQAXFNQ-SNVBAGLBSA-N 270.735 3.694 30 20 CHED C#Cc1ccc(NCc2csc(CCC)n2)cc1 901515402 AMWOCWHSUNGZSS-UHFFFAOYSA-N 256.374 3.689 30 20 CHED COc1cc(CS[C@H](C)c2ccc(C#N)cc2)on1 902325027 HVIBBWZUXFZRQA-SNVBAGLBSA-N 274.345 3.549 30 20 CHED CC[C@H](NCCCn1nc(C)cc1C)c1cccc(C#N)c1 902725071 OQQZPOWIDNWNFG-SFHVURJKSA-N 296.418 3.503 30 20 CHED N#CC1(CCCCOc2ccc3oc(=O)oc3c2)CCC1 902739378 WDJRAFIHEJSLMD-UHFFFAOYSA-N 287.315 3.629 30 20 CHED C=CCCCC[C@H](C)NCCc1ccccc1C(=O)O 905762631 WDOGUWBZIVTEPW-AWEZNQCLSA-N 275.392 3.652 30 20 CHED Cc1cc(C)cc(NN=C2C(=O)Nc3c(C)ccc(C)c32)c1 914773230 OZFIHVQHRARZDK-UHFFFAOYSA-N 293.370 3.689 30 20 CHED COc1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1 916133459 QHEJUANERPVDGA-WTKPLQERSA-N 274.266 3.870 30 20 CHED N#C[C@@H](C(=O)CSc1ccccc1F)c1ccccc1 917136465 BLOQYKSSROGNNR-CYBMUJFWSA-N 285.343 3.794 30 20 CHED CCOc1cccc(/C=N/[C@@H](C)c2cccc(OC)c2)c1O 917558697 VOSUIXFKOSBCPZ-HCZVKUGISA-N 299.370 3.980 30 20 CHED C=CCN(C(=O)CCCCOc1cccc(C)c1)C(C)C 920024408 KWFMFSBSHDDXOS-UHFFFAOYSA-N 289.419 3.967 30 20 CHED COc1cccc(/C=N\[C@@H]2CCc3cc(C)ccc32)c1O 920178105 OHFFUVCNLZFCJG-VXIUPONVSA-N 281.355 3.816 30 20 CHED CS[C@@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 921566368 UFOHOIZEUWLPOU-HUUCEWRRSA-N 260.406 3.839 30 20 CHED CC(C)[C@@H](N[C@H](C)CC(C)(C)C#N)[C@H](O)c1ccccc1 926319056 FQRZSYOIJLTECP-DJIMGWMZSA-N 288.435 3.663 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 933786147 MWLYJJOFWLLTIJ-CPUCHLNUSA-N 257.377 3.808 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 933903375 MXYCFFFVSRYLJP-HUUCEWRRSA-N 297.402 3.652 30 20 CHED CSCCCCCCNC(=O)c1cc(C#N)ccc1C 935340859 FPLGFCZAFMCSNY-UHFFFAOYSA-N 290.432 3.520 30 20 CHED CC[C@@](C)(C#N)c1nnc(-c2ccccc2Cl)o1 1118362446 OTMKGCBTSUENFW-ZDUSSCGKSA-N 261.712 3.581 30 20 CHED C=CC(C)(C)CC(=O)OC[C@@H]1CCO[C@H]1c1ccccc1 1122738640 VDDWAKVKDPJVMD-RDJZCZTQSA-N 288.387 3.910 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)c2ncccc12 1122835981 RMIBHKBMWKTMDX-LBPRGKRZSA-N 282.343 3.638 30 20 CHED C=C(CC(C)C)C(=O)Nc1c(O)cccc1Cl 1123891784 LXYWZFZENYWASD-UHFFFAOYSA-N 253.729 3.586 30 20 CHED Cc1csc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 1126713390 YTGILAHSAVIIKE-LLVKDONJSA-N 271.341 3.846 30 20 CHED C[C@@H](NC(=O)Nc1sccc1C#N)c1ccc(F)cc1 1193099272 RMCQJHKFRLRJFK-SECBINFHSA-N 289.335 3.642 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)Nc1cccc(C#N)c1 1214487338 IPMIHMKMAJGAGT-UHFFFAOYSA-N 291.354 3.715 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3cccc(CC#N)n3)C2)cc1 1256071121 WBFVYBHYUKEMJI-WBVHZDCISA-N 291.398 3.839 30 20 CHED Cc1ccc(NC(=N)NCc2ccc(C#N)c(Cl)c2)cc1 1261566628 SGMYZPGEPDCOFB-UHFFFAOYSA-N 298.777 3.657 30 20 CHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1csc(C#N)c1)C2 1264349033 DEZVUKQYFMGFCW-RBOXIYTFSA-N 288.416 3.564 30 20 CHED CCCCN(C(=O)c1cc(C#N)ccc1C)[C@H](C)CC 1264397655 OZCAYBPOGJMDBZ-CQSZACIVSA-N 272.392 3.908 30 20 CHED O=C(CCC1CCCC1)COC(=O)CC#Cc1ccccc1 1320242161 JUDDVOPEQQDBQQ-UHFFFAOYSA-N 298.382 3.511 30 20 CHED Cc1ccnc(NCc2cccc(C(F)F)c2)c1C#N 1320495348 GEXFEQWVGWYQEU-UHFFFAOYSA-N 273.286 3.811 30 20 CHED C=CC[C@@H](NC(=O)N1CC(C)(C)C1(C)C)c1ccncc1 1322283431 HZNMMQTYKYVCJP-CQSZACIVSA-N 287.407 3.529 30 20 CHED C=CCn1cnnc1S[C@H]1CCCc2ccccc21 1322970890 CBOBILSJQGGKMD-AWEZNQCLSA-N 271.389 3.634 30 20 CHED COc1ccc(NN=Cc2csc(C(C)C)n2)cc1 1324321522 ACLVPSBCNFPMMK-UHFFFAOYSA-N 275.377 3.721 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H]1C[C@H](C)c2c(C)ccc(O)c21 1328092227 VZPLFWUTZBTWED-FQLMCAECSA-N 287.403 3.572 30 20 CHED C[C@H](c1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 1328428757 FDSBYRRSGBDMJE-NSHDSACASA-N 267.332 3.902 30 20 CHED CC(C)CCOc1ccc(-c2nnc(C#CC3CC3)o2)cc1 1330077078 BKQRAELZXGANDT-UHFFFAOYSA-N 296.370 3.923 30 20 CHED C[C@H](CC(=O)N[C@H](C#N)C1CCCC1)c1cccc(F)c1 1335109024 BRZXQHLCJGQWRA-MLGOLLRUSA-N 288.366 3.518 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1CCO[C@@H](CC)C1 1336215109 BCPQSVBPGDRPLM-OAGGEKHMSA-N 279.424 3.539 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1OCCc2ccccc21 1336759722 ONNUFHWIGJLBSI-SJLPKXTDSA-N 299.414 3.648 30 20 CHED C=C(C)CCC(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 1337349877 XKGMTUBQGFICPL-MRXNPFEDSA-N 273.376 3.741 30 20 CHED C=CCC1(C(=O)N=[S@](C)(=O)c2ccccc2F)CCC1 1337592248 LERQGNRQNPMSQZ-HXUWFJFHSA-N 295.379 3.555 30 20 CHED Cc1ccc([C@H](C)N(C)c2cccc(CC#N)n2)cc1 1338233787 UOCMYAJTRRNZRB-AWEZNQCLSA-N 265.360 3.654 30 20 CHED C=CCCCCC[C@@H](C)NCCC1CCOCC1 1340778524 PBKYQRJHDFUXBE-OAHLLOKOSA-N 253.430 3.918 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)CCCF)c1cccs1 1345145952 BFXFRIVOOBVHBO-MFKMUULPSA-N 269.341 3.632 30 20 CHED C=C(CC(C)C)C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 1347018930 UKHYRMIFEMOXCC-GVDBMIGSSA-N 293.451 3.521 30 20 CHED C=C(C)COc1cc(CNCCCC(F)F)ccc1OC 1354173767 JXXLKTCYUABOQP-UHFFFAOYSA-N 299.361 3.785 30 20 CHED CCC1CCC(CNC(=O)c2ccc(C)c(C#N)c2)CC1 1355154612 QRTUOQGKKRVUHF-UHFFFAOYSA-N 284.403 3.813 30 20 CHED C#Cc1ccc(COC(=O)[C@@H]2CSc3ccccc32)cc1 1514726064 SHWKCGLXPVFWGC-MRXNPFEDSA-N 294.375 3.601 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)CC#Cc1cccnc1 1515324811 ZCJZUILKGDWWKF-OAHLLOKOSA-N 283.371 3.523 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(C2CC2)cc1 1515539925 GPDDXAICWZKHID-UHFFFAOYSA-N 276.339 3.996 30 20 CHED N#Cc1cc(C(=O)N2CCC=Cc3ccccc32)cs1 1522990151 MDKFXVJZVLKHHA-UHFFFAOYSA-N 280.352 3.683 30 20 CHED COc1ccc(NC(=O)c2cccc(C#N)c2)cc1SC 1524989400 PUXXVXMRTBVFFS-UHFFFAOYSA-N 298.367 3.541 30 20 CHED CCN(C(=O)c1cc(C#N)ccc1C)c1cccc(F)c1 1527715279 UAPSRNZXBQZVIA-UHFFFAOYSA-N 282.318 3.673 30 20 CHED Cc1ccc(CCOC(=O)c2ccc(C#N)c(Cl)c2)cc1 1538772678 OQLJANXIKBXSQZ-UHFFFAOYSA-N 299.757 3.920 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1cccc(C#N)c1C 1539599412 CCWQZIBESLENCZ-SFHVURJKSA-N 290.366 3.974 30 20 CHED CC(C)c1scnc1NC(=O)c1cc(C#N)ccc1F 1544945096 CRRCFPNPATZXAC-UHFFFAOYSA-N 289.335 3.530 30 20 CHED CCc1nc(C#N)cc(NC[C@H]2CCCC[C@H]2CC)n1 1559200996 FVQYSCGSJLPCGI-CHWSQXEVSA-N 272.396 3.539 30 20 CHED C=CCC[C@@H](NCc1cccc(C(=O)O)n1)c1ccccc1 1609324661 IVLWJADFIRJCNK-MRXNPFEDSA-N 296.370 3.577 30 20 CHED C[C@H](CC#N)NC(=O)c1ccc(-c2cccc(F)c2)s1 1633299905 MNOIAAAVMZDWPN-SNVBAGLBSA-N 288.347 3.586 30 20 CHED Cc1nc(NC[C@@H]2CCC[C@H](C)[C@H]2C)ccc1C#N 1651020318 ZXCDKDRXIFDKJU-ZOWXZIJZSA-N 257.381 3.746 30 20 CHED Cc1cnc(SCc2cccc(C#N)c2)c(C)c1 1652957449 FRDFPHMNOZRSOO-UHFFFAOYSA-N 254.358 3.862 30 20 CHED N#Cc1cc(F)cc(NC2CCN(c3ccccc3)CC2)c1 1657817228 KTJITMUEFKVKNJ-UHFFFAOYSA-N 295.361 3.778 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCc2cc(F)ccc21 1658430923 YNTVUJARDVINRM-UHFFFAOYSA-N 286.737 3.913 30 20 CHED O=C(O)c1cc(NN=C2CC(c3ccccc3)C2)ccc1F 1776063138 BYZSAGCFNLTODD-UHFFFAOYSA-N 298.317 3.869 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CC(CCC)CCC)C1 1776154488 DFAREOSUDNUZPJ-QGZVFWFLSA-N 281.440 3.946 30 20 CHED C=CCCCCCN1CC2(CC2)c2ccccc2[C@@H]1C(=O)O 1776173102 XZNYLRQCQMVUOP-QGZVFWFLSA-N 299.414 3.906 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(CC(=O)O)cc2)cs1 1777417992 LZBXFSWSVPOJTB-VOTSOKGWSA-N 286.352 3.580 30 20 CHED Cc1cccc2c1C/C(=C/c1ccc(/C=C/C(=O)O)o1)C2=O 1777455975 SVOGVPWKUUSSLW-GHYOLMRSSA-N 294.306 3.508 30 20 CHED N#Cc1cccc(OCc2ccc(Br)s2)c1 19441477 KUUODHYATQNNDJ-UHFFFAOYSA-N 294.173 3.961 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1c1ccccc1 22137298 QGQWOUZHBPGSMD-INIZCTEOSA-N 293.326 3.808 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccccc1C 45935060 NZWRCJWCJSKBBK-UHFFFAOYSA-N 265.356 3.823 30 20 CHED CC[C@H](NCC#Cc1ccccc1)c1cccs1 51814331 ZQDIFECOZUYFSF-HNNXBMFYSA-N 255.386 3.841 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccccc2s1 52819288 VWXBEJUBUKEXPU-UHFFFAOYSA-N 259.374 3.940 30 20 CHED N#Cc1ccc(NCc2cc(F)c(F)c(F)c2)cc1 62705677 BHBRJUBOVHOHGS-UHFFFAOYSA-N 262.234 3.588 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccoc1 66800493 YTPGLZWFKKYSKM-LLVKDONJSA-N 286.356 3.926 30 20 CHED CCN(CC#N)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 68959035 XWFRJKDEUMQVJC-UHFFFAOYSA-N 298.386 3.570 30 20 CHED C=CCN(Cc1nc(C(C)C)no1)CC1CCCCC1 69860067 NWSIHOYRCZKBMJ-UHFFFAOYSA-N 277.412 3.761 30 20 CHED C=CCOc1ccccc1CNCc1ccc(Cl)o1 72671597 BHFOOMFKSHETQR-UHFFFAOYSA-N 277.751 3.788 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)NC2(C#N)CCCCC2)C1(C)C 73171424 KAOKIBJWKAEEDB-ZIAGYGMSSA-N 274.408 3.567 30 20 CHED CC(C)(C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 75465866 WMFSWXINPRFABR-UHFFFAOYSA-N 282.318 3.614 30 20 CHED C=CCOc1ccc(Oc2ncc(C#N)cc2Cl)cc1 78559362 SYUCLMIMUQFTGR-UHFFFAOYSA-N 286.718 3.964 30 20 CHED Cc1occc1CN(C)c1ccc2cc(C#N)ccc2n1 92891781 OJPIJCIQVGSDCT-UHFFFAOYSA-N 277.327 3.644 30 20 CHED N#Cc1csc(CNc2ccc(F)c(F)c2)c1 93685096 BLOMBAKNJLLZRE-UHFFFAOYSA-N 250.273 3.510 30 20 CHED N#Cc1csc(CNc2cccc(CN3CCCC3)c2)c1 93686158 SDDLSSAAEFKZQR-UHFFFAOYSA-N 297.427 3.828 30 20 CHED C[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccc(C#N)cc1 102903967 XIKSTZYVWZNZON-SUMWQHHRSA-N 297.402 3.593 30 20 CHED N#Cc1cc(NCc2noc3c2CCCC3)ccc1Cl 108848130 WKROMYDIAQHUIQ-UHFFFAOYSA-N 287.750 3.691 30 20 CHED N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 115971243 KMMXPDYLGCYSRD-QWHCGFSZSA-N 298.292 3.579 30 20 CHED CN(C)c1cccc([C@H]2CCCN2c2ccc(C#N)cc2)c1 117867021 ZTFNFEWURZVZLQ-LJQANCHMSA-N 291.398 3.966 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)Nc1ccnc(C)c1 119533965 MAGDWMVCGFGQBU-UHFFFAOYSA-N 299.349 3.749 30 20 CHED CCS[C@@H]1CC[C@H](N(C)CCC(C)(C)C#N)C1 119697777 VOZPYCUZPAKQDR-QWHCGFSZSA-N 254.443 3.532 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cc2c(s1)CCCC2 122308179 MCOHXOMMBPYOTA-NSHDSACASA-N 262.422 3.827 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(C#N)cc1 122885715 VGAKMDROCLBTMB-CQSZACIVSA-N 275.355 3.623 30 20 CHED C=CCn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 124390133 GIPZFSHIEXLVQI-UHFFFAOYSA-N 298.292 3.528 30 20 CHED CC[C@H](C#N)Sc1ccc(C#N)c(C(F)(F)F)c1 127933836 SRSYBHKUFSMNPZ-SECBINFHSA-N 270.279 3.971 30 20 CHED CCCCCCCCNc1ccc(C(=O)O)cn1 132222797 KKDAEJVZIBHHNY-UHFFFAOYSA-N 250.342 3.552 30 20 CHED COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1C#N 132419518 NUYFGTUGZMYXHP-XNTDXEJSSA-N 289.334 3.779 30 20 CHED COCc1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1 132658138 MRCZPQDPDLUEIY-ZSOIEALJSA-N 298.313 3.631 30 20 CHED Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1C 132802498 RNDDWDCKJNTKGU-UHFFFAOYSA-N 286.281 3.706 30 20 CHED CC(C)CN(CCC#N)C(=O)CC1CCCCCC1 135807458 MTUIJVHHPOYXIM-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C=C(Br)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 136131209 JYENZQVDJRFHHW-DTWKUNHWSA-N 286.135 3.606 30 20 CHED C=CC1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 154895845 OGRQLONPXSBDOP-UHFFFAOYSA-N 299.201 3.614 30 20 CHED CC(C)CC[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 155733620 QKOJLUAHVBJHKJ-SFHVURJKSA-N 298.430 3.918 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2cccnc2Cl)c1 156700323 BEZCOCNZRZFZRZ-FNORWQNLSA-N 273.719 3.645 30 20 CHED CC1CC(C#N)(C(=O)NC2CC(C)(C)CC(C)(C)C2)C1 159734793 LIQGHVISCJNLQM-UHFFFAOYSA-N 276.424 3.647 30 20 CHED C=CC[C@H](C)NCc1ccc(F)c(C(F)(F)F)c1 160151081 OYTYJOFJYQTLKR-VIFPVBQESA-N 261.262 3.899 30 20 CHED CCO[C@H](C)c1nccn1CC#Cc1ccc(Cl)cc1 161552864 TWBOOPZRTLIXKU-CYBMUJFWSA-N 288.778 3.686 30 20 CHED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)nc1 161605603 NFSINKQQWHSGJP-UHFFFAOYSA-N 287.388 3.672 30 20 CHED CN(CCc1ccccc1)Cc1ccc(C#N)cc1Cl 162915028 LPAZMPSLDGTCSD-UHFFFAOYSA-N 284.790 3.886 30 20 CHED Cc1cc(C#N)ccc1COc1cc(F)ccc1F 165561223 NHFDWIAYDGZKMV-UHFFFAOYSA-N 259.255 3.724 30 20 CHED C#CCCCNC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 172946613 NTVSYDJJXDGPKU-VAWYXSNFSA-N 295.304 3.638 30 20 CHED C[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc(C#N)c1 174445242 AXFVOBBXLSTACQ-ZDUSSCGKSA-N 291.354 3.537 30 20 CHED C=CCCCC(=O)NC[C@H](Nc1ccccc1)C(C)C 175190080 PZLNFPBEZQVLBZ-INIZCTEOSA-N 274.408 3.596 30 20 CHED N#CC1(c2nc(-c3cccc(Cl)c3)no2)CCCC1 177719950 MVTUMCSMUMXVFE-UHFFFAOYSA-N 273.723 3.725 30 20 CHED COc1cccc(NC(=O)Nc2cccc(C#N)c2C)c1 178573297 SWGKVJAFNXMBNY-UHFFFAOYSA-N 281.315 3.519 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1scnc1C(C)(C)C 178636576 LPUYDCSRYUSCCC-UHFFFAOYSA-N 299.399 3.873 30 20 CHED CC[C@@H](C#N)NC(=O)C1(c2cccc(C)c2)CCCCC1 179242743 OKQOTSQELJCVIS-INIZCTEOSA-N 284.403 3.615 30 20 CHED C=C(C)CN(CC)Cc1ccc(OC)c(COCC)c1 179527719 VRQGGVHGQPABRT-UHFFFAOYSA-N 277.408 3.630 30 20 CHED C=CC[C@@H](C)[C@H](C)Nc1ccccc1O[C@@H](C)C#N 180204701 XMBHCWBCGDNUAS-RDBSUJKOSA-N 258.365 3.990 30 20 CHED C[C@H](C#N)Oc1ccccc1N[C@H](C#N)C1CCCCC1 182262686 DAZXOQTURHUXHC-CZUORRHYSA-N 283.375 3.862 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 182478545 FDBBRRJOHAPVRR-CQSZACIVSA-N 278.355 3.684 30 20 CHED Cc1ccc(C[C@@H](C)C(=O)N(CC#N)c2ccccc2)cc1 182799520 LQOSJWGYGNRQAK-MRXNPFEDSA-N 292.382 3.730 30 20 CHED CC[C@@H](CC1CCCCC1)C(=O)N[C@H](CC)CC#N 183796871 BGAKMUFWPGUHAY-LSDHHAIUSA-N 264.413 3.791 30 20 CHED N#CC1(COC(=O)CCCc2c[nH]c3ccccc23)CCC1 183910507 PMBQHVUEIRNCDP-UHFFFAOYSA-N 296.370 3.728 30 20 CHED CC(C)C[C@H](C)C(=O)N[C@H](C#N)c1ccccc1Cl 185553042 KNDKAOINKZCGRW-SMDDNHRTSA-N 278.783 3.703 30 20 CHED N#CCCCOc1cccc(CN2CCCC3(CC3)C2)c1 186622466 GBBGXGDYKMQVLU-UHFFFAOYSA-N 284.403 3.745 30 20 CHED N#CC1(C(=O)Oc2cccc(OC(F)(F)F)c2)CCCC1 187773157 KTSFJZCTIKRVHH-UHFFFAOYSA-N 299.248 3.575 30 20 CHED COc1ccc(CSCCCC#N)cc1Cl 188682639 NSAOEAJTBKSZOF-UHFFFAOYSA-N 255.770 3.886 30 20 CHED CN(Cc1cc(C#N)n(C)c1)Cc1csc2ccccc12 191218735 AARKTZXGWXDCMQ-UHFFFAOYSA-N 295.411 3.743 30 20 CHED C=CCOc1cccc(NC(=O)CC(C)(C)CC(C)=O)c1 191783639 FUYICONIXMQJKS-UHFFFAOYSA-N 289.375 3.585 30 20 CHED C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCCCC#N 194463118 LYSWWCVCHTYRND-CYBMUJFWSA-N 289.375 3.598 30 20 CHED CC(C)Oc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 194854380 BLVFEPCVWGIGCC-UHFFFAOYSA-N 292.334 3.936 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1sccc1C#N 195270286 ORZFJTWOMNQISE-UHFFFAOYSA-N 276.748 3.834 30 20 CHED C=CCCOCCN[C@H](CC(C)C)c1ccccc1 222441391 PMZZSRWOJRDBAM-QGZVFWFLSA-N 261.409 3.956 30 20 CHED C[C@@H](Nc1c(F)c(F)nc(F)c1F)c1ccc(C#N)cc1 229047396 UCUAADPBSGHFNX-SSDOTTSWSA-N 295.239 3.683 30 20 CHED C[C@H]1CCC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 230662573 OJOBSRZWAFWGOA-QEFXCSQDSA-N 268.404 3.636 30 20 CHED Cc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 237701548 GWNXNBYWSIPNIC-INIZCTEOSA-N 294.398 3.884 30 20 CHED C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 248411236 DPAVYBUVCZSYEK-KCXAZCMYSA-N 283.375 3.601 30 20 CHED Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2)cc1 254791665 PCTAYKUKFPGSOI-UHFFFAOYSA-N 294.383 3.798 30 20 CHED C[C@H](OC(=O)/C=C\c1cccs1)c1ccc(C#N)cc1 255087037 RXYNUGNGXINGKV-LAUAKBEESA-N 283.352 3.937 30 20 CHED C/C(=C/C(=O)N(C)C1(C#N)CCC1)c1cccc(Cl)c1 255381758 MOSJWMUNXNGQEJ-XFXZXTDPSA-N 288.778 3.648 30 20 CHED O=C(/C=C\c1cnc(-c2cccs2)s1)c1cnccn1 255463450 GMUKARCKGRLYBL-ARJAWSKDSA-N 299.380 3.558 30 20 CHED Cc1cc(CS[C@H](C)c2ccc(C#N)cc2)on1 265537599 QUPCBDPUKOJMJS-LLVKDONJSA-N 258.346 3.849 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 265574283 BLUXKLNDIKVAAN-CJNGLKHVSA-N 270.376 3.599 30 20 CHED N#C[C@@H](NC(=O)CCC1CCC1)c1ccc(Cl)cc1 267286020 YCNDDPHIXICMJC-CQSZACIVSA-N 276.767 3.601 30 20 CHED COc1ccc(CN[C@@H](C)c2ccc(F)c(C)c2)cc1C#N 267579490 FZBCGFMVESJKHG-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED C=C(Cl)CN1CCC(Nc2cccc(C)c2)CC1 269664439 VGOYVQOANPQZEH-UHFFFAOYSA-N 264.800 3.624 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1nc2ccccc2s1)OCC 270163194 ZLQUDADQOSQEOY-GFCCVEGCSA-N 290.388 3.606 30 20 CHED CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(CC#N)cc1)C1CC1 270316142 SLEWAXGSXJHFRO-UONOGXRCSA-N 284.403 3.792 30 20 CHED C=CCN(C(=O)c1cc2ccc(Cl)cc2[nH]1)C1CC1 271405934 NPJFDWNAOSMMHF-UHFFFAOYSA-N 274.751 3.612 30 20 CHED Cc1ccnc(N2CCC[C@@H]2c2ccc(F)cc2)c1C#N 273425552 ZRDZRDCOZUMNHM-MRXNPFEDSA-N 281.334 3.742 30 20 CHED CC#CCCCC(=O)N1CCCCC[C@H]1c1cccn1C 274299580 RWUIMEBXWBDLTG-KRWDZBQOSA-N 286.419 3.662 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc2sccc2c1 274319684 KGLCUDWSCOGYDD-MRXNPFEDSA-N 286.400 3.959 30 20 CHED C=CCCN(C)C(=O)c1cc(Cl)ccc1Cl 276017496 ALRDKEUYLZPGBC-UHFFFAOYSA-N 258.148 3.642 30 20 CHED C=CCCN(C)Cc1coc(-c2ccc(OCC)cc2)n1 276438799 OHHWHHSHXJSPTB-UHFFFAOYSA-N 286.375 3.748 30 20 CHED C=CCC[C@H](CC)Nc1ccc2c(c1)N(C(N)=O)CCC2 278776293 UWEMXUGGYOSZLC-AWEZNQCLSA-N 287.407 3.675 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cnc(C)s1 279554402 TYLOVHLVFSAOOO-UHFFFAOYSA-N 286.400 3.670 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1[C@H]2CCC[C@H]21 279888260 HMPQTFNVZVUWLN-FVQHAEBGSA-N 269.388 3.637 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H](C)C(C)(C)c1ccccc1 280563527 GBFNFBBHSUCQLT-CYBMUJFWSA-N 296.370 3.556 30 20 CHED Cc1ccc(N(C(=O)c2cc(C#N)oc2C)C(C)C)cc1 280955565 KDNSVKKXXVVQMM-UHFFFAOYSA-N 282.343 3.823 30 20 CHED CCC[C@](C)(CC)C(=O)N(C)Cc1ccc(C#N)cc1 280960809 SHLIYJUUINKAQL-KRWDZBQOSA-N 272.392 3.733 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCc1c(Cl)cccc1Cl 285145514 POTNFLIHIDKODX-AWEZNQCLSA-N 299.201 3.592 30 20 CHED C=CCN(C(=O)Nc1cc(C)c(F)cc1Cl)C1CC1 287035635 HLTJCXYVBFRMTQ-UHFFFAOYSA-N 282.746 3.970 30 20 CHED N#Cc1sc(N2CCS[C@@H]3CCCC[C@@H]32)nc1Cl 287678731 CHOVEYFIUQELTQ-DTWKUNHWSA-N 299.852 3.533 30 20 CHED C=C(C)CCc1noc(C(C)(C)c2c(C)noc2C)n1 289245957 PKUNGJHIQRANCW-UHFFFAOYSA-N 275.352 3.509 30 20 CHED Cn1ncc(NCCCC(C)(C)C#N)c1-c1ccccc1 290180062 QTPBWXBATUCQCQ-UHFFFAOYSA-N 282.391 3.829 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)c2sccc2C)cc1 290289696 YYDHSLBQGAINBA-AWEZNQCLSA-N 284.384 3.614 30 20 CHED C=CCC[C@@H](NCCc1cc(C(F)(F)F)ccn1)C1CC1 293030667 ABEKDQFFBFMTNQ-OAHLLOKOSA-N 298.352 3.977 30 20 CHED CCCc1nc(C)c(CN[C@H](C)c2ccc(C#N)cc2)o1 293279981 CUUURKWZRXUWBC-GFCCVEGCSA-N 283.375 3.658 30 20 CHED C=CCC(C)(C)C(=O)N1CC=C(c2cccc(OC)c2)C1 293542349 SESGNCMMQAQCHX-UHFFFAOYSA-N 285.387 3.523 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(CCC#N)Cc2ccco2)C[C@H]1C 294394855 CPPQEECIJYWZDZ-RBSFLKMASA-N 288.391 3.594 30 20 CHED CC#CCN(C)C(=O)Nc1cc(C(F)(F)F)ccc1C 296921654 OGTNGRGGJSFVJV-UHFFFAOYSA-N 284.281 3.501 30 20 CHED N#C[C@]1(C(=O)OCc2ccc3occc3c2)CC12CCCC2 297877738 UOGQBLHLEQHEDE-SFHVURJKSA-N 295.338 3.950 30 20 CHED Cc1csc(CCCNc2c(F)cc(C#N)cc2F)n1 301183931 OKRHHKGBPSNYCR-UHFFFAOYSA-N 293.342 3.646 30 20 CHED N#Cc1ccc(NCCc2nc(C(F)(F)F)cs2)cc1 301426538 HAPVDRIHUQWSTJ-UHFFFAOYSA-N 297.305 3.688 30 20 CHED N#Cc1nc(NCCCNc2ccccc2)ccc1Cl 301526473 NOHOXPBCCPDNDX-UHFFFAOYSA-N 286.766 3.521 30 20 CHED Cc1cc(Sc2cccc(C#N)c2)nc(C(C)C)n1 301630927 CMIURQKBSLHVLY-UHFFFAOYSA-N 269.373 3.931 30 20 CHED C[C@@H](C#N)CNc1nc(-c2cc(Cl)cc(Cl)c2)no1 302053012 PBUCREXNOGFLRE-ZETCQYMHSA-N 297.145 3.615 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H]2Cc3ccccc32)c1 302121390 UNWFNHGDLRCWPA-INIZCTEOSA-N 276.339 3.513 30 20 CHED C=C(Br)CNc1nc(C)nc2scc(C)c12 302327982 YULCWMUTQSCDFD-UHFFFAOYSA-N 298.209 3.629 30 20 CHED CC(C)(O)c1ccc(CNc2cccc(F)c2C#N)cc1 302470241 WJIHHGVROKQUMR-UHFFFAOYSA-N 284.334 3.537 30 20 CHED C#CCOc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1 303913507 ROQHRILEOWHDOB-UHFFFAOYSA-N 293.366 3.754 30 20 CHED CCCC[C@@H](C)N(C)c1ncc(Br)cc1C#N 310186400 YOIXASJQZWHFIE-SNVBAGLBSA-N 296.212 3.731 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)C1 328724487 YNVVTWOZIFBPRY-QPXLLFJUSA-N 290.407 3.523 30 20 CHED CCC1(NC(O)=Nc2cn(C)nc2-c2ccccc2)CCC1 329556179 QGUGLNKMMVZPPS-UHFFFAOYSA-N 298.390 3.555 30 20 CHED O/C(=N/[C@H]1CSc2ccccc21)c1conc1C1CC1 329604052 YSYVYRXVXCVVSI-LBPRGKRZSA-N 286.356 3.704 30 20 CHED COC1(CC(O)=Nc2cnc3c(c2)CCCC3)CCC1 330051028 MUOPCRJNNCWZOJ-UHFFFAOYSA-N 274.364 3.508 30 20 CHED Cc1cccc(N/C(O)=N/C[C@@H]2CCO[C@H]2C(C)C)c1F 330660240 BJMIHNQZLPELBT-WFASDCNBSA-N 294.370 3.521 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C(C)=O)o2)CCCC1(C)C 331153880 VCURCMBQYIKFGE-OAHLLOKOSA-N 289.375 3.689 30 20 CHED CC1(C#N)CCC(NC2(c3ccccc3)CC2)CC1 334649963 AQYLQXBXKMAZIH-UHFFFAOYSA-N 254.377 3.738 30 20 CHED CN(C(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CC1(C)C 334729288 MRJNRNWADUJQQD-ZDUSSCGKSA-N 291.782 3.668 30 20 CHED CSCCCN(C)c1ccc(C(F)(F)F)cc1C#N 336806771 CJQCUDOXOHBACJ-UHFFFAOYSA-N 288.338 3.766 30 20 CHED C=CCOCCCN[C@@H](C)c1ccc(SC)cc1 337223308 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Cc1ccc2c(c1)CCN([C@H](C#N)c1ccccc1)C2 595455977 VADXQKIFQCYZTH-GOSISDBHSA-N 262.356 3.618 30 20 CHED N#CC[C@H]1CCCN(CCc2ccccc2Cl)C1 595613548 FHGDFMGIXOKHSM-CYBMUJFWSA-N 262.784 3.508 30 20 CHED CC[C@H](C)N(CC)C(=O)N[C@H](CCC#N)c1ccccc1 596503130 IICFQSUSBYDOCC-GOEBONIOSA-N 287.407 3.861 30 20 CHED CCCN(CC(C)C)C(=O)CC1(C#N)CCCCC1 596763911 CWDQPAZYLDWTQO-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1cc(C)ccc1C(F)(F)F 597078567 NRHYSOHYECZISA-SNVBAGLBSA-N 299.296 3.828 30 20 CHED CC[C@@H](CN1CCC[C@@H](CC#N)C1)c1ccccc1 597175597 BSIOPNYHRZDGAA-HOTGVXAUSA-N 256.393 3.806 30 20 CHED C=CCCSCCNC(=O)c1cccc2ccsc12 597967078 MDKQGUPDMLPSOY-UHFFFAOYSA-N 291.441 3.940 30 20 CHED CC[C@@H](C#N)C(=O)NCc1ccc(-c2cccs2)cc1 597976722 YIVKSINZUTZPIE-ZDUSSCGKSA-N 284.384 3.581 30 20 CHED CCN(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@H](C)C#N 598357364 AXIYAAJBMKBNLK-ZJUUUORDSA-N 299.201 3.857 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 598820441 VPJNSWIAIFIXAQ-ZIAGYGMSSA-N 286.350 3.852 30 20 CHED C=CCC1(NCCCSCC#N)CCCCC1 599611099 XBVCYOPOBVZWTH-UHFFFAOYSA-N 252.427 3.502 30 20 CHED N#CCc1cccc(N[C@@H]2CCc3cccnc3CC2)c1 601126389 QQSILLUBYVQXRV-MRXNPFEDSA-N 277.371 3.507 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cncc(Cl)c1Cl 602303306 TYJXWDVCHARMKZ-UHFFFAOYSA-N 286.162 3.657 30 20 CHED Cc1ccc2nc([C@H]3CCCN3CC3(CC#N)CC3)[nH]c2c1 602828551 OAXJVUHLPCUXPW-MRXNPFEDSA-N 294.402 3.702 30 20 CHED N#Cc1ccc(SC2Cc3ccccc3C2)cc1 609484040 FENCNHQDFSMUKO-UHFFFAOYSA-N 251.354 3.818 30 20 CHED C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1ccncc1 609848145 BYDMLTQMGBCJHC-OAHLLOKOSA-N 277.371 3.702 30 20 CHED C[C@H]1c2c(F)cccc2CCN1Cc1ccc(C#N)cc1 610004508 NMCMFCLMWJEPLK-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED N#Cc1ccc(NC(=O)N2CCC[C@@H]2C2CC2)c(Cl)c1 610877411 OHTMHSWQCSZODW-CQSZACIVSA-N 289.766 3.618 30 20 CHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CCO[C@H](C(C)C)C2)C1 617782076 XXRQMYIAWCHQSO-ZACQAIPSSA-N 293.451 3.642 30 20 CHED CC(C)O[C@@H]1C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)C1(C)C 618804171 KFVNWJGMMFLXPE-RCCFBDPRSA-N 298.430 3.727 30 20 CHED C[C@]1(C#N)CCCN(Cc2cnc(-c3ccco3)s2)C1 618819855 RXIZDPHCFPZUME-OAHLLOKOSA-N 287.388 3.529 30 20 CHED C=CCCC(C)(C)NC(=O)c1c[nH]c(C(F)(F)F)c1 620857283 WAACOXZNGHKWTM-UHFFFAOYSA-N 274.286 3.508 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H](C)CCC 620953036 STBFYPNNDAUAHM-OAHLLOKOSA-N 274.408 3.615 30 20 CHED C=CCCCn1cc(-c2cc(Cl)ccc2OC)nn1 640936367 VFWIWVFMDAWRNG-UHFFFAOYSA-N 277.755 3.573 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2ccccc2n1C1CC1 649232385 KCWXIFQVLLCLBR-UHFFFAOYSA-N 283.375 3.912 30 20 CHED C=CCC(C)(C)CNCc1ccc(O[C@H]2CCOC2)cc1 657473128 DWMUSEAVRHDYKX-KRWDZBQOSA-N 289.419 3.546 30 20 CHED C=CCC1(NC/C=C\c2ccc(F)c(F)c2)CCOCC1 657634275 FZWPBGDGBXWYRI-ARJAWSKDSA-N 293.357 3.693 30 20 CHED C=CCC1(NCc2ccc(-n3cncn3)c(C)c2)CCCC1 657703361 XVHPHSATGSMNKA-UHFFFAOYSA-N 296.418 3.554 30 20 CHED C=CCC1(N[C@@H](C)[C@H](C)c2ccccc2)CCOCC1 668552160 GCVGOZCDGXJUIL-HOTGVXAUSA-N 273.420 3.894 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](CO)c1ccc(F)cc1F 668757121 ZBYRDHKHUWZXST-WBMJQRKESA-N 283.362 3.723 30 20 CHED C=CCOCCN[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 675925289 XYHPYYHPBJNQCE-QGZVFWFLSA-N 284.403 3.646 30 20 CHED CC#CCCN1CCC[C@@H]1c1ccccc1Br 680884674 OMVQKWCYCMDZAO-OAHLLOKOSA-N 292.220 3.999 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CCCC[C@@H]1CCC 682416505 PRQRYGZVIDBQPI-KBPBESRZSA-N 252.402 3.563 30 20 CHED C#C[C@@H](NC(=O)CCSc1ccc(C)c(C)c1)C(C)C 700610038 CZHVUMIYMSBXBL-MRXNPFEDSA-N 289.444 3.560 30 20 CHED CCC(C=NNCc1ccc(Br)cc1)CC 726739808 LEYOMSXPLMLWNM-UHFFFAOYSA-N 283.213 3.961 30 20 CHED C#CCCOC(=O)c1ccc(COc2ccc(C)cc2C)o1 727041986 KGJJZSYEWJAGLK-UHFFFAOYSA-N 298.338 3.656 30 20 CHED c1ccc(CON=C2CCCOc3ccccc32)cc1 728425229 DYHXNYVQMBGAJS-UHFFFAOYSA-N 267.328 3.780 30 20 CHED C(=NNc1cccc2cnccc12)c1ccsc1 728432323 RAIUACCOQQKRHG-UHFFFAOYSA-N 253.330 3.742 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(c3cccc(C)c3)CC2)c1 728481441 FZYHYBUKOIFOGP-UHFFFAOYSA-N 289.378 3.671 30 20 CHED CC(=NNc1nc2ccccc2n1C)c1ccc(C)cc1 728775725 ALWNYBGKGOSZGZ-UHFFFAOYSA-N 278.359 3.718 30 20 CHED Cc1ccc(NN=C2CCC[C@H]2c2ccccc2)nn1 732532684 NKIGJKNDKWQQSI-AWEZNQCLSA-N 266.348 3.521 30 20 CHED C[C@H](CC1CCCC1)C(=O)OCc1cc(C#N)ccc1F 734057519 ZNIUVFWMTJWIKL-GFCCVEGCSA-N 289.350 3.957 30 20 CHED CCCCC(COC)=NNc1ccc([N+](=O)[O-])cc1Cl 737435118 UBCSRBNLLUWVPZ-UHFFFAOYSA-N 299.758 3.853 30 20 CHED O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1cncc(F)c1 737445988 JYTKTVKQDMUEMT-VKDZAETISA-N 298.273 3.581 30 20 CHED COc1ccc(O)c(/C=N/C[C@@H](C)Cc2cccs2)c1 741464478 PDBDAVNBMSWIDD-OOIIIRTPSA-N 289.400 3.760 30 20 CHED C=CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 741868055 BLVPBIAZNJVSCX-DDTOSNHZSA-N 294.851 3.687 30 20 CHED CCc1cnc(CON=Cc2ccccc2C(F)(F)F)o1 742351958 JAIYBDZFNARADT-UHFFFAOYSA-N 298.264 3.807 30 20 CHED N#Cc1cc(F)ccc1NCCN1CCCc2ccccc21 742397734 SSFCVKTWFHCWEY-UHFFFAOYSA-N 295.361 3.562 30 20 CHED N#Cc1ccc(NCCc2cccc(O)c2)cc1Cl 742397929 LHNKTXZQFZTUMA-UHFFFAOYSA-N 272.735 3.572 30 20 CHED C=CCOc1ccccc1CNC(=O)/C=C(/C)C(C)(C)C 742662892 BNEYFTKFKCRUPA-OWBHPGMISA-N 287.403 3.860 30 20 CHED C#CCCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 742784438 TYOIZARDNJAEDL-UHFFFAOYSA-N 294.398 3.580 30 20 CHED CCCCCC[C@H](C)NN=Cc1cccc(C#N)c1 743449269 UAIZLRJJLMNKHF-AWEZNQCLSA-N 257.381 3.841 30 20 CHED N#CC1(C(=O)OCCC2CCCCC2)CCCCC1 744247640 UIEFKJRUFLMYOH-UHFFFAOYSA-N 263.381 3.974 30 20 CHED CCCCCCCN1CC[C@H](CN(C)CCC)C1 747963311 VCITUHKNWWNXIW-MRXNPFEDSA-N 254.462 3.621 30 20 CHED C=CCCCC(=O)OCc1cc(-c2cccs2)on1 748239295 FALMFXSXTSXFQX-UHFFFAOYSA-N 277.345 3.803 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)OCC(=O)c1ccc(C#N)cc1 748260288 ZXFRPOXWTOAYPQ-CZUORRHYSA-N 299.370 3.501 30 20 CHED CCn1nccc1C=NNc1cccc2ccccc12 753696341 DZPKKPQUYRHQPT-UHFFFAOYSA-N 264.332 3.502 30 20 CHED CCCCCCCCNC(=O)Nc1cnn(CC2CC2)c1 754970958 IGCYGJDZBGKODC-UHFFFAOYSA-N 292.427 3.775 30 20 CHED Clc1cccc(CNN=C[C@@H]2C[C@H]3C=C[C@H]2C3)c1 755770014 IUTBSUHNBYTQBG-UBHSHLNASA-N 260.768 3.628 30 20 CHED C=C(C)[C@H](C)OC(=O)Cc1c[nH]c2cccc(C)c12 755996448 WZHCTNMEIZHYHJ-LBPRGKRZSA-N 257.333 3.527 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)cc1 756263040 UGNICOZEGVCGIC-WMZJFQQLSA-N 294.329 3.659 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl 756731082 DCDVWWPCHGYOJY-ZIBATOQPSA-N 285.790 3.845 30 20 CHED Cc1nc(C)c(C=NNCc2cccc(Cl)c2)s1 756830894 DWWLZASOHMZZOS-UHFFFAOYSA-N 279.796 3.537 30 20 CHED COCc1cccc(/C=C\C(=O)c2cc(F)ccc2O)c1 757467377 DSAGOVSNLPPLMU-ALCCZGGFSA-N 286.302 3.574 30 20 CHED Cc1n[nH]c(C)c1/C=C1/CCc2c(Cl)cccc2C1=O 758039203 IJFTXRZAZCHQNT-FLIBITNWSA-N 286.762 3.892 30 20 CHED CC(=NOCC(C)C)c1c(Cl)cccc1[N+](=O)[O-] 758129822 QUQZWOIBBJJIOM-UHFFFAOYSA-N 270.716 3.645 30 20 CHED COc1ccccc1NC(=S)NN=C(C)CC1CCC1 758363036 VCKIZHYRCOLNAN-UHFFFAOYSA-N 291.420 3.548 30 20 CHED CC(C)[C@@H](CC1CCCCC1)C(=O)[C@H](C#N)c1ccncn1 760334887 SAFJVBJDFULMSU-HZPDHXFCSA-N 299.418 3.895 30 20 CHED C#CCCc1noc(Cc2ccc(CCCC)cc2)n1 762000016 XPLYXHRHOLCUSS-UHFFFAOYSA-N 268.360 3.569 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NCC2CC2)cc1 764828177 PYXBJWVZNLVPEJ-LBPRGKRZSA-N 265.784 3.879 30 20 CHED C#CCOc1cccc(NC(=O)c2ccc(Cl)cc2C)c1 765454205 ZKVWKQVQGKQMDV-UHFFFAOYSA-N 299.757 3.913 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](CCCC)COC)cc1 766076893 SFFZYLLELRIEBM-WBVHZDCISA-N 289.419 3.554 30 20 CHED Cc1ccc(C#N)c(NCc2cccc(OC(C)C)c2)n1 766399445 OYZKXKOCHUCXGM-UHFFFAOYSA-N 281.359 3.661 30 20 CHED C#CCCCOc1cccc(-c2nc(C)cs2)c1 766742749 XSNAFFXZXIJAKD-UHFFFAOYSA-N 257.358 3.911 30 20 CHED C#CCCCN(C)Cc1ccccc1C(F)(F)F 766896756 SXNSRXSZYYAAFU-UHFFFAOYSA-N 255.283 3.551 30 20 CHED C#C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 767528019 ZKEDJKIADHRXLQ-OTWHNJEPSA-N 290.362 3.898 30 20 CHED CC#CCCCC(=O)O[C@@H](C)c1nc(-c2ccccc2)no1 767662428 BFSYECTVJXQUIF-ZDUSSCGKSA-N 298.342 3.534 30 20 CHED CC#CCCCC(=O)O[C@@H](C)CCc1ccccc1 767682917 XRAJSUXXTPWUCH-HNNXBMFYSA-N 258.361 3.745 30 20 CHED CC(=NNc1cccc(Cl)c1)c1cscn1 767894445 ZTWHIUZPSMUIQF-UHFFFAOYSA-N 251.742 3.633 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)OCCCCC(C)(C)C#N 768868808 GFZPRGXAMQBBCJ-BBRMVZONSA-N 265.397 3.932 30 20 CHED C#CCCOc1ccc(CN2CC[C@@H](c3ccco3)C2)cc1 769388174 CYNSXNCGEBGWID-QGZVFWFLSA-N 295.382 3.671 30 20 CHED C=CC[C@H]1N(C(=O)/C=C/c2ccc[nH]2)CCCC1(C)C 769645372 TWLKRNWPKHUNRH-BOLDSZDNSA-N 272.392 3.621 30 20 CHED C[C@H]1CC(=NNc2ccc(F)c([N+](=O)[O-])c2)C[C@H](C)C1 769828400 GVIDODYMLIPQAM-NXEZZACHSA-N 279.315 3.958 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1ccccc1 772191507 RVYWJJYYBRMEII-MAUKXSAKSA-N 277.367 3.671 30 20 CHED C[C@H](C#N)Oc1ccc(C=NN[C@@H]2CCCCC2(C)C)cc1 773124803 LJSSEWKTQACXQZ-RHSMWYFYSA-N 299.418 3.870 30 20 CHED C#CCCCCC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 773315777 ZEFQPWABYRSQJC-INIZCTEOSA-N 297.398 3.743 30 20 CHED CCC(CC)CNN=Cc1csc(-c2ccccn2)n1 774479541 YWEBAFWFDLCRKX-UHFFFAOYSA-N 288.420 3.565 30 20 CHED CCC(C)(C)c1ccc(COC(=O)CSCC#N)cc1 776109436 ZMOCNNHNKDOTMM-UHFFFAOYSA-N 291.416 3.674 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1CCCc2ccccc21 776374006 ZHNVLWHXPPHDNM-OAHLLOKOSA-N 271.360 3.590 30 20 CHED N#C[C@@H](OC(=O)c1ccc2c(c1)CCCN2)C1CCCCC1 776383782 RPKVKPJYMLHODQ-QGZVFWFLSA-N 298.386 3.674 30 20 CHED CC(C)Oc1ccccc1C(=O)OCCC(C)(C)C#N 776386792 LRLUOXICRULNBS-UHFFFAOYSA-N 275.348 3.570 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Cc1ccccc1CC#N 776979603 AYAUNSKADYCDLF-PBHICJAKSA-N 298.430 3.626 30 20 CHED Fc1ccc(C=NNc2ccccc2C(F)(F)F)cn1 777417899 DEBZAMMYOVUEBN-UHFFFAOYSA-N 283.228 3.686 30 20 CHED Fc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cn1 777431730 BPXKJHLAQJQSEJ-UHFFFAOYSA-N 284.121 3.974 30 20 CHED COC(=O)c1ccc(C(C)=NOC2CCCCC2)cc1 777459537 RWESWNIIKVIQHP-UHFFFAOYSA-N 275.348 3.547 30 20 CHED Cc1ccsc1COC(=O)c1ccc(C#N)c(Cl)c1 777775750 ADTZJASSWYMFEV-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CC(C)[C@H](Cc1ccccc1)N[C@H]1CC[C@H](C#N)C1 779051370 GYBHFECQOFNOLE-ULQDDVLXSA-N 256.393 3.536 30 20 CHED C=CCN(Cc1ccccc1)C(=O)/C(C)=C(\C)CC 779835045 YOGNOZOEGKOYLQ-CCEZHUSRSA-N 257.377 3.948 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(C#N)cc1C 779990986 IMTVPZOEJBYEPE-DGCLKSJQSA-N 259.349 3.592 30 20 CHED COc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1C 780189312 ZMZXNLZTIJQSJU-RIYZIHGNSA-N 280.323 3.532 30 20 CHED Cc1ncsc1/C=C1\CCOc2cc(F)ccc2C1=O 781555628 MHADSPWDJVBIBL-UXBLZVDNSA-N 289.331 3.639 30 20 CHED Fc1cccc(C2CC(=NN=c3cc[nH]cc3Cl)C2)c1 781594514 HPKJERVMNAXJQD-UHFFFAOYSA-N 289.741 3.642 30 20 CHED C=CCCCCCOC(=O)c1c(F)cccc1F 782022391 SDPXUIIGSOCWPP-UHFFFAOYSA-N 254.276 3.868 30 20 CHED C=CCCO[C@H](C)C(=O)OCc1cc(F)ccc1Cl 782261107 MQDKUTLAJHFZIW-SNVBAGLBSA-N 286.730 3.504 30 20 CHED CCc1cnccc1C(C)=NN[C@@H]1CCCC1(C)C 782290118 ZCUQKQOPUZDNJQ-OAHLLOKOSA-N 259.397 3.536 30 20 CHED COc1ccc(O)c(/C=N/C[C@H](SC)C(C)(C)C)c1 783681304 BKCAYFAONKMDDK-FSEGOYHTSA-N 281.421 3.597 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)C1(C#N)CC(C)C1 784200731 IWYBXZGKKVXPTB-ULKWEWGCSA-N 257.333 3.539 30 20 CHED C=C(CC)COC(=O)c1cc(F)c(Cl)cc1F 785610544 HHMCSBBFDSSEQD-UHFFFAOYSA-N 260.667 3.741 30 20 CHED Cc1cc(Oc2ccccc2)ccc1NC(=O)NCCC#N 785793763 OFZWEYYRLNQNQC-UHFFFAOYSA-N 295.342 3.823 30 20 CHED CC(C)n1cc2c(n1)[C@@H](Nc1ccc(F)cc1C#N)CCC2 785845941 VKVWWIHVWHHNBT-INIZCTEOSA-N 298.365 3.964 30 20 CHED C=CCOCC(=O)O[C@@H](CC)c1cccc(Cl)c1F 787025436 IUYQBSRIFACAFS-LBPRGKRZSA-N 286.730 3.676 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(C)c(Cl)c2)n(C)n1 789159290 KMKUIAZDSQZCSA-SREVYHEPSA-N 274.751 3.586 30 20 CHED C#CCNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 792434053 YTEKGYUUYIUBBO-UHFFFAOYSA-N 273.685 3.571 30 20 CHED Clc1cccc(NN=C2CCC3(CCCO3)CC2)n1 793174607 LJBBDPLKGALSOO-UHFFFAOYSA-N 279.771 3.626 30 20 CHED C=CCCCCC[C@@H](C)NC1CCC(C)(O)CC1 793529524 CHGQDIDMLRHQHC-QQFBHYJXSA-N 253.430 3.795 30 20 CHED CCC(=NNCCC(F)(F)F)c1ccc(Cl)cc1 794546771 WDDLAOUUJXORHO-UHFFFAOYSA-N 278.705 3.996 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(C(F)F)cc2)cn1 794935726 SXLVGEBZEVXICQ-YVMONPNESA-N 276.286 3.737 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1cccc(F)c1F 794947315 WNCDSAYNYSATQR-VOTSOKGWSA-N 276.286 3.638 30 20 CHED C#CCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1 796660555 WQKOOMDNYWPXCA-UHFFFAOYSA-N 278.355 3.662 30 20 CHED C=CCC[C@H](NC[C@@]1(O)CCc2ccccc21)c1ccco1 796842373 ZCMLZKHZBYFKNF-HKUYNNGSSA-N 297.398 3.711 30 20 CHED CC(CC1CC1)=NNc1ncnc(Cl)c1C(C)C 797404257 IWRZWOQGUXYCDZ-UHFFFAOYSA-N 266.776 3.841 30 20 CHED C=CC[C@H](CC)NC(=O)/C=C(/C)c1ccc(F)cc1 798550961 JOGRVKJCBIFGLO-SSCKCOOKSA-N 261.340 3.700 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H]1CCCC[C@H]1C 799329726 LFFDABYPNBJFMW-RHSMWYFYSA-N 284.403 3.908 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1cc(F)ccc1F 799442511 NYAXAYOWHDXUPJ-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C#CCCCCCC(=O)N1CCc2cc(F)cc(C)c2C1 800247562 XNTFZQRNOQAOPE-UHFFFAOYSA-N 287.378 3.603 30 20 CHED C=CCc1ccc(OC(=O)c2cc(C)cc(C)n2)c(OC)c1 800800150 FVPYKYHPTHFWHZ-UHFFFAOYSA-N 297.354 3.655 30 20 CHED Cc1ccc(CCCSCCO[C@H](C)C#N)cc1 802750460 ACQGALAYWPNEDE-CQSZACIVSA-N 263.406 3.590 30 20 CHED C#Cc1ccc(CNCCc2c[nH]c3cc(F)ccc23)cc1 809611760 NEVJYSMFKLPDLY-UHFFFAOYSA-N 292.357 3.621 30 20 CHED Cc1ccc2c(CC(=O)OC3(CC#N)CCC3)coc2c1 810855633 PUVFAQMQLLCBLZ-UHFFFAOYSA-N 283.327 3.663 30 20 CHED COCCOCC(C)=NNc1c(C)cccc1C(C)C 812233546 ZGGUFNACUZDDJF-UHFFFAOYSA-N 278.396 3.569 30 20 CHED COC(=O)c1ccc(-c2ccc(C=NOC3CCC3)o2)cc1 812238249 PPFZKAAVSLVZNI-UHFFFAOYSA-N 299.326 3.636 30 20 CHED CC(C)OCCON=C(CC(F)(F)F)c1ccccc1 812238617 AWVSVYRDJJSCGG-UHFFFAOYSA-N 289.297 3.785 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@@H](OC)CC1 812493350 GQYDPHOVXMYMKB-MRXNPFEDSA-N 296.455 3.724 30 20 CHED C=CCCCCCCNC(=O)N1CCC[C@H](CSC)C1 813753383 AUHHTUULHMJGIS-HNNXBMFYSA-N 298.496 3.908 30 20 CHED Cc1nn(-c2ccccc2)c(C)c1C=NOCCC1CC1 814245969 PXDJDZKCGLCUFK-UHFFFAOYSA-N 283.375 3.640 30 20 CHED COc1ccccc1CON=C1CS[C@@H](C(C)C)C1 814924089 VDTANQULYRCNMN-OAHLLOKOSA-N 279.405 3.729 30 20 CHED CCCC[C@H]1CCCC1=NNc1nc(-c2cccnc2)no1 814947629 BCRGNWHUIUKXQM-LBPRGKRZSA-N 299.378 3.890 30 20 CHED C=CCC(C)(C)c1noc(C[C@@H](O)CC[C@H](C)CC)n1 815705178 ARCOHXAMDWGYOB-OLZOCXBDSA-N 280.412 3.653 30 20 CHED CCCCOc1ccc(C=NN[C@@H](C)c2ccncc2)cc1 819816056 WRIRAARKYVGZQP-HNNXBMFYSA-N 297.402 3.945 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N(C)CC(C)(C)C#N 820519693 AFMBLXVDBRBWAC-UHFFFAOYSA-N 276.380 3.507 30 20 CHED Cc1ncsc1C(=O)N(c1ccccc1C#N)C1CCC1 826797323 VMJAPVURYXXSMK-UHFFFAOYSA-N 297.383 3.523 30 20 CHED CC(C)c1ncc(/C=C2/Cc3cccc(O)c3C2=O)s1 834444889 VUQMQZYBSSZQEK-XFFZJAGNSA-N 285.368 3.795 30 20 CHED C#Cc1cccc(CN[C@H](C)c2csc(C)c2)c1 834904498 YZPYMOLVAKNOJH-CYBMUJFWSA-N 255.386 3.889 30 20 CHED C[C@@H]1CC(=NOc2ccccc2C(F)(F)F)c2nccn21 834966399 HOCULRUCUXQESP-SECBINFHSA-N 295.264 3.650 30 20 CHED C#C[C@H](NC(=O)Nc1ccc(OC(C)C)cc1C)C(C)C 836310106 OIPPXNJQMOIECD-HNNXBMFYSA-N 288.391 3.562 30 20 CHED C#CCC[C@H](C)OC(=O)[C@H]1C[C@H]1c1sccc1C 839036631 FOGMEFSRZISXLM-XQQFMLRXSA-N 262.374 3.505 30 20 CHED c1ccc(CON=C2CCc3ccccc3C2)cc1 839423669 WVPPOQZIQKAXAR-UHFFFAOYSA-N 251.329 3.748 30 20 CHED CC[C@@H](C#N)OC(=O)c1[nH]c2c(Cl)cccc2c1C 840631030 CMPHWKWRDLOUEA-VIFPVBQESA-N 276.723 3.589 30 20 CHED C=CCNC(=S)N(CC(C)C)c1cccc(Cl)c1 840825068 RJKRDPRHENYEOA-UHFFFAOYSA-N 282.840 3.863 30 20 CHED C#C[C@H](OC(=O)c1c(C)noc1C(C)C)c1ccccc1 842366321 HSNOSHNZFWYJSJ-AWEZNQCLSA-N 283.327 3.638 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(Cl)c(C)cc1Cl 844570662 CYJUVUXFVGUQDT-MRVPVSSYSA-N 289.162 3.929 30 20 CHED C=CC[C@H]1CCC(=NNc2ccc(C(=O)O)cc2OC)C1 844590430 WAEAPZMIGSHGEF-NSHDSACASA-N 288.347 3.538 30 20 CHED CCCCC[C@H](C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 846764824 IVWMXAGWVAUZNI-GJZGRUSLSA-N 286.419 3.822 30 20 CHED CC(C)(C)C#CCOC(=O)c1ccc(C(F)F)cc1F 847704450 UAGXNAYWWODMCK-UHFFFAOYSA-N 284.277 3.970 30 20 CHED COc1cncc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)c1 849245796 CJHGCSVTZIHSOU-GESOSKEOSA-N 291.350 3.790 30 20 CHED Cc1ccc(F)cc1C(=O)O[C@@H](C)CC(C)(C)C#N 851211189 BBEOLAITZTZPSH-NSHDSACASA-N 263.312 3.619 30 20 CHED C#C[C@](C)(CC)NCc1cc(-c2ccccc2Cl)on1 852103334 DVENQVIIXGZLNX-MRXNPFEDSA-N 288.778 3.887 30 20 CHED C/C(=C/C(=O)N(C1CC1)[C@H](C)C#N)c1ccccc1Cl 855583867 KBJKQSYKANAOIV-UCQJPZFISA-N 288.778 3.646 30 20 CHED C#CCCCC(=O)NCC(CC)(CC)c1ccc(F)cc1 856518658 UBIKKFBKQLXICV-UHFFFAOYSA-N 289.394 3.803 30 20 CHED CCCCCCCNC(=O)c1cnc(O)c2ccccc12 862356189 DPZDRSKRROSQOZ-UHFFFAOYSA-N 286.375 3.641 30 20 CHED CCCCCCCCCC(=O)N(C)CC1(C)COC1 862762203 WGYKPSJPFXEPJW-UHFFFAOYSA-N 269.429 3.622 30 20 CHED COC1CC(SCc2cc(Cl)ccc2OCC#N)C1 863395312 BFKGYSAEGUDWPU-UHFFFAOYSA-N 297.807 3.653 30 20 CHED CC[C@H](C#N)c1ccc(-c2cnc(Cl)n2C)cc1 863978571 ASXMPBXSFQEVCL-SNVBAGLBSA-N 259.740 3.758 30 20 CHED C#CCCCCCCNc1cccc(NC(=O)OC)c1 876822599 CNBVTKDWEMSWSS-UHFFFAOYSA-N 274.364 3.861 30 20 CHED C=CC(C)(C)CC(=O)NC1CC(c2ccccc2)C1 878713258 MMKATVQWFXRJSC-UHFFFAOYSA-N 257.377 3.651 30 20 CHED C#CCCCNC(=O)Nc1c(C)cc(C(F)(F)F)cc1C 880973421 WUMHLNTXVVZYQR-UHFFFAOYSA-N 298.308 3.857 30 20 CHED Cc1c(C(=O)N(C)CCCF)sc2ccc(C#N)cc12 895302950 XPQNVMFZJXHBLZ-UHFFFAOYSA-N 290.363 3.513 30 20 CHED C=C1CC(c2noc([C@@H]3C[C@@H]3c3ccc(F)cc3)n2)C1 896885241 ZJPLNCVSBXYHDO-ZIAGYGMSSA-N 270.307 3.913 30 20 CHED C=CCCCC[C@H](C)N[C@@H](C(=O)O)c1ccc(F)c(C)c1 901841394 FICZOAYLBFCKQR-XJKSGUPXSA-N 293.382 3.984 30 20 CHED CC[C@H](Nc1cc(CCOC)ccn1)c1cccc(C#N)c1 902986484 BGZOLTZAJQLXQL-KRWDZBQOSA-N 295.386 3.705 30 20 CHED C=C1CC(c2noc([C@@H]3CC(c4ccccc4C)=NO3)n2)C1 903742446 ONVPFMJFNPCHPG-HNNXBMFYSA-N 295.342 3.677 30 20 CHED CCc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc(Cl)n1 905928498 CDAJYFUOHLISST-ZWNOBZJWSA-N 292.766 3.537 30 20 CHED C#CCCOC(=O)Oc1cc2ccccc2nc1C1CC1 907612510 QIWBZZMCSYBDMC-UHFFFAOYSA-N 281.311 3.651 30 20 CHED N#CC1(CCCCOC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CCC1 909370715 MXWVVKDWZCDQDI-ILXRZTDVSA-N 275.392 3.830 30 20 CHED C[C@H](CC(=O)NCCC#C[Si](C)(C)C)c1ccccc1 912335791 IULICTDQJNUIMY-OAHLLOKOSA-N 287.479 3.567 30 20 CHED C=C(Cl)COC(=O)CCc1ccc(OC(F)F)cc1 913395879 ZMVLZIYXZLNFGM-UHFFFAOYSA-N 290.693 3.516 30 20 CHED CCC(C)(C)C1CCC(=NNc2nccc(OC)n2)CC1 914695354 QSVPXVVZJBSNTN-UHFFFAOYSA-N 290.411 3.880 30 20 CHED c1ccc2[nH]c(NN=C3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)nc2c1 915915642 TWMDXMGUYWPZJS-LPWJVIDDSA-N 280.375 3.787 30 20 CHED O=C(O)c1ccc(/C=C2/CCCc3ccccc3C2=O)cc1 916134453 JLQIRFIRZNRIGD-VBKFSLOCSA-N 292.334 3.987 30 20 CHED CCCCC/C(C=Nn1cnnc1)=C/c1ccccc1 916242403 OURDIHCGMCYDEL-LYGMZCMYSA-N 268.364 3.776 30 20 CHED Cc1ccc2c(C)cc(NN=Cc3ccc[nH]3)nc2c1C 916543567 TUQKZUSCAVLBIM-UHFFFAOYSA-N 278.359 3.934 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C\c1ccco1 917827927 UWSSAWWXAOUVMF-KHPPLWFESA-N 297.354 3.516 30 20 CHED FC(F)(F)c1cccnc1NN=C/C=C/c1ccco1 920374330 ZHJVLMBPIKXIQI-FDQMYHDNSA-N 281.237 3.805 30 20 CHED C[C@H](CN[C@@H](C)CC(C)(C)C#N)Cc1cccs1 925141785 CSCZEDDJAMPMRE-STQMWFEESA-N 264.438 3.845 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn(C2CCCC2)c1 928793078 OEDKCBKXSDUCTB-UHFFFAOYSA-N 261.369 3.539 30 20 CHED CC(C)CN(Cc1ccc(F)c(C#N)c1)Cc1ccccn1 932445031 MIHZTEDRHOWLBI-UHFFFAOYSA-N 297.377 3.751 30 20 CHED COc1cc(NC(=O)NCC(C)(C)C#N)cc2ccccc12 933777971 WNUGKKOIKOWWAA-UHFFFAOYSA-N 297.358 3.520 30 20 CHED CC[C@H](C)n1nc(NC(=O)c2cc(C#N)ccc2C)cc1C 935250238 HLTJMYOISAKXRC-LBPRGKRZSA-N 296.374 3.595 30 20 CHED N#Cc1cccc(NC(=O)c2cc(F)cc3ccoc23)c1 1124268130 CQJSTAUYRYQRIJ-UHFFFAOYSA-N 280.258 3.696 30 20 CHED N#Cc1c(F)cccc1N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 1162861329 FOUHEULTFWDITC-DOPJRALCSA-N 278.330 3.838 30 20 CHED C=C(Br)CN1CCC[C@@H]1[C@H](C)CCC 1192174428 ROKNKWAVCZYSBU-ZYHUDNBSSA-N 260.219 3.796 30 20 CHED N#Cc1ccc(CNCc2ccc3[nH]ccc3c2)cc1Cl 1202143262 UBBTZFSXYLISDU-UHFFFAOYSA-N 295.773 3.983 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)c1cccc(CC#N)n1 1255095146 DJKFGVVUNIYWSS-KRWDZBQOSA-N 279.387 3.605 30 20 CHED C=CCCC[C@H](C)NC(=O)C(C)(C)Oc1ccccc1 1320658470 QHAXBKKVSNZOLO-AWEZNQCLSA-N 275.392 3.705 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1cccc(C(F)F)c1 1320739820 MOUJKWCGLZAGOB-OAHLLOKOSA-N 267.319 3.843 30 20 CHED COc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1F 1322983380 BHGFTWFMHOQWLU-UTCJRWHESA-N 290.265 3.575 30 20 CHED Cc1cccc(C2(C(=O)OCc3ccc(C#N)s3)CC2)c1 1327198038 TUICUFBGMHSMHB-UHFFFAOYSA-N 297.379 3.703 30 20 CHED CCCCCCCCNC1CCN(CC(F)F)CC1 1327632208 NJRUNWPHKLOODP-UHFFFAOYSA-N 276.415 3.666 30 20 CHED C=CCCCCC[C@@H](C)Nc1ccccc1CC(=O)NC 1327746961 GZGPECFXGGIYNE-OAHLLOKOSA-N 288.435 3.912 30 20 CHED C=C[C@@H]1OCC[C@H]1c1nnc(-c2ccc(Cl)cc2F)o1 1327873160 GLJCCAYQYCYQRO-PWSUYJOCSA-N 294.713 3.588 30 20 CHED N#CCC[C@@H](C#N)CN[C@H](C1CCCCC1)C1CCC1 1336799721 LZDPMRGGDIOJGL-WMLDXEAASA-N 273.424 3.769 30 20 CHED C=C(C)CCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 1337070097 JDSWNFQGBKNNCV-UHFFFAOYSA-N 288.391 3.510 30 20 CHED CCn1ccnc1[C@@H](C#N)C(=O)c1cc(C(C)(C)C)oc1C 1346096145 NAZCVCUCVOBLFG-ZDUSSCGKSA-N 299.374 3.592 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1ccc(C#N)cc1 1349961474 OJAIHMHMLODNHS-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1cc(F)cc(C)c1C(=O)OCc1ccc(CC#N)cc1 1458306320 MNUZNGQMTANNJX-UHFFFAOYSA-N 297.329 3.866 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(F)c1 1460673888 NMTYFGCHEDGJFF-BXUZGUMPSA-N 274.339 3.852 30 20 CHED Cc1ccc(C)c(C2CCN(CC3(C#N)CC3)CC2)c1 1473862835 LCRJTFVKSQVLFY-UHFFFAOYSA-N 268.404 3.787 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H]1CCO[C@H](CCC)C1 1514859106 OQTYLXICZHPPNL-ARFHVFGLSA-N 279.424 3.539 30 20 CHED C=C(CC)C(=O)Nc1cccc(COC(C)(C)C)c1 1520733083 PGRMHMHMVBDNED-UHFFFAOYSA-N 261.365 3.906 30 20 CHED Cc1csc([C@H](C#N)C(=O)C23CCC(CC2)CC3)n1 1523761167 OAWHOEFIDVGGRL-MQYJIDSJSA-N 274.389 3.598 30 20 CHED Cc1cc(C)c(CC(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 1528081603 OWGVRVURPAMUPM-HZPDHXFCSA-N 285.387 3.780 30 20 CHED Cc1ccc([C@@H](C)N(C)CC2(CC#N)CC2)c(C)c1 1559496201 HFCGTQBSJQWHEJ-OAHLLOKOSA-N 256.393 3.990 30 20 CHED C#Cc1cccc(CN[C@H]2CCC[C@@H](CCCC(=O)O)C2)c1 1588522300 OJCGDFACDWUCGX-WMZOPIPTSA-N 299.414 3.571 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(C(=O)O)cs2)s1 1600397427 IQJSGGGNJVXNKU-SNAWJCMRSA-N 278.354 3.712 30 20 CHED N#Cc1cnc(NCC2(Cc3ccccc3)CCC2)c(F)c1 1612112528 PKMKPSOZEJUDBJ-UHFFFAOYSA-N 295.361 3.917 30 20 CHED Cc1ccc(CNc2nc(C#N)c(Cl)s2)s1 1639293536 XDNKPVUSVZAWMU-UHFFFAOYSA-N 269.782 3.650 30 20 CHED Cc1nc(N(C)C[C@@H](C)C2CCCCC2)ccc1C#N 1640262991 XQIRNHRRTHWPDK-CYBMUJFWSA-N 271.408 3.914 30 20 CHED N#Cc1ncccc1S[C@@H]1CCc2c(F)cccc21 1641128432 OTVHEAZJXVROID-CQSZACIVSA-N 270.332 3.872 30 20 CHED Cc1cc(N[C@H](C)[C@@H](C)c2ccccc2)ncc1C#N 1642355958 IEOKCMLLGIKQKL-ZIAGYGMSSA-N 265.360 3.866 30 20 CHED CCC1(CC)[C@H](Nc2cccc(F)c2C#N)[C@H](C)[C@H]1OC 1650927989 SHXPKMATVCUTNG-IUIKQTSFSA-N 290.382 3.949 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1C[C@@H]1C1CCCCC1 1655198649 MCLDGRHKYGARFC-HZPDHXFCSA-N 265.360 3.811 30 20 CHED Cc1ccnc(N2CC[C@H](C(C)(C)C)C[C@@H]2C)c1C#N 1655531956 RZDLKQVUPOSAOG-KBPBESRZSA-N 271.408 3.913 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc2ncccc12 1656186634 QHOMSBUWTQIXJU-FQEVSTJZSA-N 299.377 3.884 30 20 CHED COc1ccc(CN(C)C[C@H](C)C#N)cc1C(C)(C)C 1659132460 KXEHDIIBSPBCBO-CYBMUJFWSA-N 274.408 3.584 30 20 CHED CC1(C)CCC[C@@H](C=NNc2ccccc2C(=O)O)C1 1776030353 QCXXRVHNQDZICL-GFCCVEGCSA-N 274.364 3.999 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@H]3CCCC[C@H]3C2)cn1 1776069021 LSYAQTJISMOBCH-NEPJUHHUSA-N 287.363 3.538 30 20 CHED CC(=NNc1ccc(C(=O)O)c(F)c1)[C@H](C)CC(C)C 1776076675 AUOQOXGLHWWUGC-SNVBAGLBSA-N 280.343 3.994 30 20 CHED O=C(O)Cc1ccc(NN=C[C@H]2C[C@@H]2c2ccccc2)cc1 1776084669 HRDAKVRRTZHNSE-NVXWUHKLSA-N 294.354 3.515 30 20 CHED C=CCCC1(C(=O)O)CCN(C[C@@H]2CC[C@H](C)C2)CC1 1776168313 SWKPCWLOFLELBH-LSDHHAIUSA-N 279.424 3.556 30 20 CHED C=CCCCCCN1CC[C@@H](c2ccccc2C(=O)O)C1 1776173391 MMEHSDYWCCCFOD-OAHLLOKOSA-N 287.403 3.921 30 20 CHED C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C#N 3438233 LLQUXMKOOWBTGH-ZDUSSCGKSA-N 296.395 3.819 30 20 CHED CC(C)c1cccc(NC(=O)COc2ccccc2C#N)c1 7689941 LWYXAMHUZQTIKP-UHFFFAOYSA-N 294.354 3.699 30 20 CHED Cc1ccc2c(c1)CCCN2C(=O)c1sccc1C#N 52028656 ICGSEOILGPGOEO-UHFFFAOYSA-N 282.368 3.521 30 20 CHED N#CCOc1cc(F)ccc1NC(=O)CCC1CCCC1 119917555 JZKWBJBTLURMHT-UHFFFAOYSA-N 290.338 3.637 30 20 CHED Cc1onc(-c2ccccc2)c1C(=O)OCC1(CC#N)CC1 174755107 SKSCBBGTRDZUJG-UHFFFAOYSA-N 296.326 3.501 30 20 CHED CC(C)Oc1ccccc1COc1cccc(C#N)c1 59738451 MHTSTVFIIAUYKN-UHFFFAOYSA-N 267.328 3.924 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)s1 110012908 GMRGRGGNZVURQC-QGZVFWFLSA-N 298.411 3.701 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc(OCC)cc1 106422575 IXTHOJWJNRIFNT-UHFFFAOYSA-N 288.391 3.678 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1-n1nc(C)cc1C 117000035 NPCGMBYXZOXRJF-LBPRGKRZSA-N 298.390 3.575 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc(C#N)c1 56515865 UVJQOEGAKYSFEJ-QGZVFWFLSA-N 291.354 3.676 30 20 CHED C=CCc1ccc(OC(=O)c2cccc(F)c2)c(OC)c1 29123787 VNHFPAIMTYQWRL-UHFFFAOYSA-N 286.302 3.782 30 20 CHED Cc1ccccc1OCCCN(C)Cc1ccccc1C#N 59393652 PATKAUICRZERFL-UHFFFAOYSA-N 294.398 3.768 30 20 CHED C=CCCCOC(=O)Cc1c(C)[nH]c2ccccc12 117994044 WXMHSVNNEOZTEF-UHFFFAOYSA-N 257.333 3.528 30 20 CHED Cc1cc(CNCCCCC#N)ccc1Oc1cccnc1 171841450 RJPXOGKLDJFRDW-UHFFFAOYSA-N 295.386 3.966 30 20 CHED CC[C@H](C#N)NC(=O)CCCc1ccc(CC(C)C)cc1 179205578 QKFPMAVXGRRHHX-QGZVFWFLSA-N 286.419 3.626 30 20 CHED CC(C)[C@H](CNCc1ccc(C#N)cc1)Nc1ccccc1 118449180 ZHPLSFLBJOPSIQ-IBGZPJMESA-N 293.414 3.785 30 20 CHED C=CCCCCCN(C)C(=O)c1c(C)nn(CC)c1Cl 173139599 BRFSYEKCWCGCRC-UHFFFAOYSA-N 297.830 3.683 30 20 CHED N#Cc1cc(NC(=O)C2(c3cccc(F)c3)CC2)ccc1F 115060046 DAHXSNSTNQINSK-UHFFFAOYSA-N 298.292 3.507 30 20 CHED C#CCCCCC(=O)NCc1ccccc1OC1CCCC1 119640003 XFPSCGFDGIVPKZ-UHFFFAOYSA-N 299.414 3.818 30 20 CHED CCCCCC(C)(C)C(=O)OCC1(CC#N)CC1 175979356 PYOYIFQQDYSTRM-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CCCCCCCN(C)Cc1ccc([S@@](C)=O)cc1 178437518 SQLMKWLDHCZQLP-LJQANCHMSA-N 281.465 3.826 30 20 CHED CC[C@@H](C#N)NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 171004776 PQZDOGWUKVCFNC-AWEZNQCLSA-N 298.386 3.826 30 20 CHED CCO[C@H](CCN[C@@H](C)c1ccc(C#N)cc1)C(C)C 173957408 GPRBPMVMFGMJBK-WMLDXEAASA-N 274.408 3.660 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1cc(C)sc1C 116940213 ZPHPZZRMEROVCM-MWLCHTKSSA-N 266.410 3.690 30 20 CHED CCc1c(C)sc(NC(=O)C2(C#N)CCCC2)c1C#N 68677767 WLBITZZIVVPWHS-UHFFFAOYSA-N 287.388 3.513 30 20 CHED N#Cc1cccc(C#N)c1N[C@H]1CCC[C@@H](C(F)(F)F)C1 302439280 MSZYIRNWZKLXQM-OLZOCXBDSA-N 293.292 3.963 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1 179916059 FPKZHWQVROOCHW-GOSISDBHSA-N 280.346 3.865 30 20 CHED C#CCOC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 303289013 KIQXBBNMFOFRMD-UHFFFAOYSA-N 288.705 3.936 30 20 CHED C=C(Cl)CN1CCS[C@H](C)[C@@H]1c1ccccc1 303693279 MNZGIWIDSMZVNG-TZMCWYRMSA-N 267.825 3.918 30 20 CHED C=C(C)COc1cccc(NC2CCSCC2)c1 129261189 UJMPYRFDRRIUIM-UHFFFAOYSA-N 263.406 3.949 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 33476459 AHPZXNXBAFNZRO-BAQGIRSFSA-N 289.237 3.769 30 20 CHED CC(C)N(CCC#N)C(=O)C[C@@H](C)Cc1cccc(F)c1 73227357 AYKGSGLPFBONKM-AWEZNQCLSA-N 290.382 3.545 30 20 CHED C[C@@H]1CCCCN(Cc2ccc(N(C)CCC#N)cc2)C1 187518336 UPNMLAPKCYHQIA-MRXNPFEDSA-N 285.435 3.658 30 20 CHED C=CCC1(C(=O)N[C@H]2CCC[C@@H](SCC)C2)CCC1 188894452 YIUZSQBIRLLJGX-UONOGXRCSA-N 281.465 3.913 30 20 CHED COc1ccc(C#N)cc1NCc1cccc(O)c1Cl 352825965 QGPQKKVGLUJAND-UHFFFAOYSA-N 288.734 3.538 30 20 CHED N#Cc1ccc(NCc2ccccc2)c(Br)c1 37072187 HQCPXGJHZGJDOB-UHFFFAOYSA-N 287.160 3.933 30 20 CHED C[C@H](CN[C@@H]1CCC[C@H](C#N)C1)COCc1ccccc1 185804908 ZPSPRPIIWMYPGW-BPQIPLTHSA-N 286.419 3.511 30 20 CHED C=CCCC(=O)N[C@H]1CCCOc2cc(Cl)ccc21 182445162 VYRXHBGKCKCIFT-ZDUSSCGKSA-N 279.767 3.636 30 20 CHED CCC(CC)[S@](=O)CCC1(C#N)CCCCC1 414258848 PWUOLESHKYPNIG-QGZVFWFLSA-N 255.427 3.788 30 20 CHED C=CCOc1ccc(CN(C)CCC)cc1Cl 506450117 DDDINFMAYPSDCO-UHFFFAOYSA-N 253.773 3.747 30 20 CHED N#Cc1cc(CNc2ccccc2OC(F)F)ccc1F 123657280 PUAANPJEUCOJRE-UHFFFAOYSA-N 292.260 3.911 30 20 CHED N#Cc1ccc(F)c(CSc2ccc(O)cc2)c1 38078959 OFARXEIWFNLEIN-UHFFFAOYSA-N 259.305 3.695 30 20 CHED C[C@H](C#N)CNC(=O)N(c1ccccc1)c1ccccc1 182538810 GXAJSLKUKQVZKT-CQSZACIVSA-N 279.343 3.694 30 20 CHED C=CCCCCCN(C)[C@@H](CCO)c1ccccc1 488411772 BUEIJJULTJDDIS-KRWDZBQOSA-N 261.409 3.788 30 20 CHED C#CCCCCNC(=O)c1cc(Cl)ccc1Cl 156403047 VNTBDEIMHCHXHG-UHFFFAOYSA-N 270.159 3.527 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCc1cccs1 182588664 FGZAFRNSCNALET-GFCCVEGCSA-N 251.395 3.542 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(F)c1C 414056373 PUKMJPZQHMSGAL-CQSZACIVSA-N 253.292 3.814 30 20 CHED CCc1ccc(C(=O)COc2ccc(C#N)cc2F)cc1 127463149 COJRLVGYYKAARW-UHFFFAOYSA-N 283.302 3.521 30 20 CHED C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(C#N)c1 74879015 XWZOSPFKPWULLB-GFCCVEGCSA-N 294.379 3.699 30 20 CHED COC1(CNc2cccc(OCCCC#N)c2)CCCC1 319801148 GJJFXHYJDIBMHL-UHFFFAOYSA-N 288.391 3.740 30 20 CHED CC#CCCCC(=O)Nc1cc(OC)ccc1OC(C)C 185708916 CXYAKZYXZCVLRX-UHFFFAOYSA-N 289.375 3.615 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(OCC)cc1 71873666 SVEWFUPVNSHZMQ-UHFFFAOYSA-N 295.382 3.914 30 20 CHED C=C(C)[C@H](NC(=O)NC1CCCC1)c1ccc(F)c(F)c1 186957621 LFROQNLNVKMOHW-HNNXBMFYSA-N 294.345 3.824 30 20 CHED CCC(CC)S[C@@H](C)C(=O)Nc1ccccc1C#N 131849293 NHDAJMAYLPFNOV-NSHDSACASA-N 276.405 3.807 30 20 CHED N#Cc1cc(C(=O)N[C@H](c2ccccc2)C2CCCC2)c[nH]1 181229046 JXNHFOAFEYUHRC-QGZVFWFLSA-N 293.370 3.548 30 20 CHED C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H](C)S1 135256037 QQJLMKRDCKNVCP-ZIAGYGMSSA-N 288.460 3.814 30 20 CHED C=C(C)CN(C)C(=O)NCCCCCc1ccccc1 180956352 JWXKNQDAKIMMBX-UHFFFAOYSA-N 274.408 3.617 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)CC 413993377 ZIBKTTUOZHEMCU-OAHLLOKOSA-N 259.393 3.726 30 20 CHED Cc1ccc(C#N)c(Oc2ccc(F)cc2Cl)n1 43400543 WZNHCPGVLFQYJJ-UHFFFAOYSA-N 262.671 3.847 30 20 CHED N#Cc1cc(NCC2(CO)CCCC2)ccc1C(F)(F)F 131308067 BOOWZAJGEPURBZ-UHFFFAOYSA-N 298.308 3.542 30 20 CHED C[C@@H](C#N)CN[C@H](CCc1ccccc1)Cc1ccccc1 133037472 KJEJPNDMEWWGBQ-FXAWDEMLSA-N 292.426 3.980 30 20 CHED Cc1ccc(N=C(O)C[C@@H]2CCOC2)c2cccnc12 329773188 HYEMLKFACHXMKE-LBPRGKRZSA-N 270.332 3.558 30 20 CHED C=C1CCN(Cc2cc(-c3cccs3)on2)CC1 264463811 LIJORYDUIYHGHR-UHFFFAOYSA-N 260.362 3.555 30 20 CHED C#CCCN[C@@H](CC)c1cc(F)cc(Br)c1 381401153 RASGMUBCKRJEHE-ZDUSSCGKSA-N 284.172 3.652 30 20 CHED CCCCC1CCC(NC(=O)c2ccc(C#N)c(C)n2)CC1 195655913 YNOBCSUOOQSCKH-UHFFFAOYSA-N 299.418 3.741 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(OC)c(Cl)c1 424530027 GRPAGYIAVLLBMA-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C=C[C@H](CC(=O)Nc1cc(C)ns1)c1ccccc1 89505882 QIPJNQIXERPASN-GFCCVEGCSA-N 272.373 3.750 30 20 CHED C#Cc1cccc(NC(=O)/C=C(/C)c2ccccc2)c1 48823600 POIGXZQGCQCLQQ-OWBHPGMISA-N 261.324 3.710 30 20 CHED C=CC[C@H](C)NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 424675950 NYBCGHQTOHJCNM-JSPGJAJPSA-N 289.341 3.682 30 20 CHED C=C(Br)CNC(=O)c1cc2ccccc2s1 49298938 SOQOEQHJUINLFT-UHFFFAOYSA-N 296.189 3.540 30 20 CHED C[C@H]1CCC[C@@H](Nc2c(C#N)nnc3ccccc23)CC1 227539280 LJSJUIWULFIUOT-QWHCGFSZSA-N 280.375 3.882 30 20 CHED C[C@@H](N[C@@H](C1CCC1)C1CC1)c1ccc(OCC#N)cc1 324927646 MTXRJKRCSYUJSM-ACJLOTCBSA-N 284.403 3.818 30 20 CHED N#Cc1ccc(NCc2ccco2)cc1Br 228172957 WTMBBBNVHBCCOS-UHFFFAOYSA-N 277.121 3.526 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC=C(c2cccc(OC)c2)C1 424787669 NJKPXGWFIMOFGR-UHFFFAOYSA-N 285.387 3.523 30 20 CHED C=C(Cl)CSc1nccn1-c1cccc(OC)c1 48398157 JCBUXTGRQTYPOS-UHFFFAOYSA-N 280.780 3.726 30 20 CHED C#Cc1cccc(N(CC)C(=O)Cc2cc(F)ccc2F)c1 80003686 JOAALXZPIMGIJB-UHFFFAOYSA-N 299.320 3.542 30 20 CHED C=CCC1(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCC1 191943708 XSFRDJQSVBLFCF-UHFFFAOYSA-N 274.320 3.588 30 20 CHED Cc1cccc([C@H](Nc2cncc(C#N)n2)C(C)(C)C)c1 420597431 IJTOMOHUJLANHI-INIZCTEOSA-N 280.375 3.856 30 20 CHED COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(C)c1)C2=O 143385069 GZRGBRAPGHFWNF-MFOYZWKCSA-N 296.322 3.628 30 20 CHED CC(C)(c1noc(C2(C#N)CCC2)n1)C1CCCCC1 333207182 OXIRJZOPPBIDHO-UHFFFAOYSA-N 273.380 3.873 30 20 CHED N#Cc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)s1 421393369 RPCWORBIQRFXSW-SNVBAGLBSA-N 288.338 3.784 30 20 CHED COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 424329135 PDLSWOBKBGAREE-SDDRHHMPSA-N 278.783 3.691 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(F)c(C#N)c1 335468312 SNCDBJGRYBGFIB-LBPRGKRZSA-N 282.318 3.531 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCc2ccccc2OC1 510949756 XEOGMTOONSAWGU-LZWOXQAQSA-N 259.393 3.571 30 20 CHED C[C@H]1c2ccsc2CCN1c1ncc2c(c1C#N)CCC2 425202610 PVCAXUDBICHNQX-NSHDSACASA-N 295.411 3.627 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 337827357 RAJZVTLRWPCGAQ-FZKQIMNGSA-N 282.387 3.519 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425640092 RGZBSZSASSHAML-CYBMUJFWSA-N 270.376 3.680 30 20 CHED C=C[C@H](C)NCc1ccc(OCc2csc(C)n2)cc1 237552166 RTFAMCHPNHRGKM-LBPRGKRZSA-N 288.416 3.695 30 20 CHED N#Cc1cc(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)O)cs1 517966235 VULRUFRLWGVHJU-DOTOQJQBSA-N 295.363 3.575 30 20 CHED C=CC[C@H](CC)NC(=O)Cc1c[nH]c2cccc(Cl)c12 512098425 JNQVOAFYUGYLBQ-LBPRGKRZSA-N 290.794 3.835 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2CCCCS2)c(Cl)c1 334528370 ZJVHWHLORKCCBO-CYBMUJFWSA-N 294.807 3.630 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@H](C)c2ccccc21 337975980 HGEPYUJLYWDTTJ-LBPRGKRZSA-N 276.339 3.631 30 20 CHED Cc1cc([C@H](C)NC(=O)c2cccc(C#N)c2C)c(C)o1 337937611 GSWZEZVPZBJDCZ-LBPRGKRZSA-N 282.343 3.568 30 20 CHED CC(C)(CCC(=O)N[C@@H]1CCC[C@H]1C#N)c1ccccc1 330452876 ZQGJDTHDCPISQL-GOEBONIOSA-N 284.403 3.553 30 20 CHED CCC[C@H](C#N)NC(=O)c1sc2cccc(F)c2c1C 535852388 WGEVZMLVDGJRIC-SNVBAGLBSA-N 290.363 3.771 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc2nc(C)sc2c1 337093839 OCDMGMWWIGCMPF-LBPRGKRZSA-N 274.389 3.689 30 20 CHED C=C(C)COCCN[C@@H]1CC2(CCC2)Oc2ccccc21 90451462 UBHNYKCOUFWQII-MRXNPFEDSA-N 287.403 3.615 30 20 CHED C[C@@H]1CC(CCNc2ncc(C#N)cc2Cl)C[C@@H](C)O1 338485143 QKVAXRHEPYECRJ-GHMZBOCLSA-N 293.798 3.612 30 20 CHED CC1(C)CCc2ccccc2[C@@H](NC(=O)CCCC#N)C1 331418415 LAKXJMKHUKDASU-INIZCTEOSA-N 284.403 3.900 30 20 CHED N#Cc1ccc(/C=C\c2cnc(-c3ccccc3)nc2)nc1 524157290 OLBHVRFBDZKNFV-CLFYSBASSA-N 284.322 3.581 30 20 CHED N#CCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 249034737 SCBYFEQLXFJBGK-PVAVHDDUSA-N 267.376 3.703 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(F)c(C#N)c1 340971737 KQTNSYGDGCCQNY-UHFFFAOYSA-N 294.329 3.526 30 20 CHED CC1=CCCN(c2c(C#N)cnc3c(C)cc(F)cc23)C1 435588671 MKBFIGHAIZQJQM-UHFFFAOYSA-N 281.334 3.710 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccsc2C(F)(F)F)C1 527719072 FSEVPASFWGHWFY-WCBMZHEXSA-N 274.311 3.549 30 20 CHED CC[C@H](NCCc1cccc(C#N)c1)c1ccccc1OC 343600317 MGIBKOOZBMLKHT-SFHVURJKSA-N 294.398 3.850 30 20 CHED N#Cc1ccc(Sc2cnc3cc(F)c(F)cc3n2)cc1 609892847 SYLMHMLHQOLVGI-UHFFFAOYSA-N 299.305 3.931 30 20 CHED CC(C)C1(CN[C@@H](C)c2ccc(OCC#N)cc2)CC1 182008940 AJGVDHQZSIKIGK-AWEZNQCLSA-N 272.392 3.676 30 20 CHED CCN(Cc1ccc(CC#N)cc1)[C@@H](C)C(F)(F)F 602989378 NGGVJPLYBCSQJN-NSHDSACASA-N 270.298 3.525 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1C#N 255898256 STCGSOLOXKRPBT-DJWKRKHSSA-N 298.729 3.511 30 20 CHED N#Cc1ccc(Cn2nc(C3CC3)nc2C2CC2)c(Cl)c1 525878506 PITBEBIOWAHDKL-UHFFFAOYSA-N 298.777 3.606 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)o1 255047391 UNRIZRKENIGICA-UITAMQMPSA-N 271.272 3.646 30 20 CHED COc1ccc(CCC(C)=NOCc2cc(C)no2)cc1 255422901 XLIVXFQGXQEXRT-UHFFFAOYSA-N 288.347 3.517 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCCOc2cc(F)ccc21 602585868 WMHLICNFSDOUOM-WFASDCNBSA-N 276.355 3.569 30 20 CHED COCc1ccc(NCc2ccc(C)s2)cc1C#N 527763708 OGGUQPVUMGPSKQ-UHFFFAOYSA-N 272.373 3.687 30 20 CHED CC(C)C[C@H](C#N)NC(=O)CCc1ccc2ccccc2c1 608825012 VOXXTACHDZPLJL-GOSISDBHSA-N 294.398 3.827 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccn(-c3ccccc3)n2)o1 255880767 KNYMRZSLQRWDAN-NTMALXAHSA-N 292.338 3.924 30 20 CHED C=CC[C@@H]1N(C(=O)Cc2ccc(O)cc2)CCCC1(C)C 443865003 DUDPCBLRVNAPHN-INIZCTEOSA-N 287.403 3.528 30 20 CHED C=CCOCCCN1CC[C@H](C)C[C@H]1c1ccc(C)o1 348026724 DRIJFTNUFCHUGB-HOCLYGCPSA-N 277.408 3.954 30 20 CHED C=CCC[C@H](NC(=O)N[C@@H]1CC[C@H](F)C1)c1ccccc1 345581572 FCPVDXFVEICHBL-XHSDSOJGSA-N 290.382 3.884 30 20 CHED C=CCN(C(=O)N[C@@H](C)CC1CCCCC1)C1CC1 446988399 GOULOSFJXJUUPA-ZDUSSCGKSA-N 264.413 3.705 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccco2)cc1OCC 255627363 ILIOXRZLUYXROS-CLFYSBASSA-N 286.327 3.973 30 20 CHED COC(=O)c1ccc(/C=C2/C[C@@H](C)c3ccccc3C2=O)o1 255104961 DLCBTOWRPIEFCE-JPQYHBGPSA-N 296.322 3.840 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CCCC1 449809290 BUVXCCNFXXOTEH-JKSUJKDBSA-N 287.378 3.934 30 20 CHED CC1(C)CN(Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 602447775 FYTNWNXCFGXFGX-QGZVFWFLSA-N 277.371 3.536 30 20 CHED CC1(C)CCCN(CCSc2ccc(F)cc2)[C@H]1C#N 444720323 CFESEOWAWDRGGQ-HNNXBMFYSA-N 292.423 3.932 30 20 CHED COc1cccc(C(=O)/C=C\c2cc(C#N)cs2)c1 255677372 QGGWSZUQECORMA-WAYWQWQTSA-N 269.325 3.524 30 20 CHED CC(C)Oc1ccc(Cl)cc1NC(=O)N[C@@H](C)CC#N 353716816 CXGHDTYHYHOLAL-JTQLQIEISA-N 295.770 3.551 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](CC)Oc1ccccc1F 537228946 FFIRRJMPXKJWSV-DZGCQCFKSA-N 293.382 3.844 30 20 CHED C=CCCC[C@H](C)N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1 440559651 RAYMYJRLVKYJJC-LUKYLMHMSA-N 263.425 3.622 30 20 CHED C=CCCOCC(=O)Nc1cccc(Nc2ccccc2)c1 603874142 WWOXSQOQUNMLAC-UHFFFAOYSA-N 296.370 3.961 30 20 CHED N#CC[C@@H](CC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 355464689 MHAYWYMXAXUDOO-DKIMLUQUSA-N 296.414 3.626 30 20 CHED CCc1c(C)sc(NC(=O)CC[C@H](C)SC)c1C#N 359020508 QOJSVZNKGUTVGI-VIFPVBQESA-N 296.461 3.961 30 20 CHED C=CCN(Cc1ccc2nc[nH]c2c1)c1ccccc1 530495053 LZMPMCIJYLSNOR-UHFFFAOYSA-N 263.344 3.756 30 20 CHED N#CC[C@H](CC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 356200206 PCDRLTICNYENJF-KSZLIROESA-N 296.414 3.865 30 20 CHED C=CCOc1cccc(CN(C)[C@@H](C)C2(C)CC2)c1 535825659 KZQKYXQLNJROLI-AWEZNQCLSA-N 259.393 3.872 30 20 CHED C=CCn1c(C)nnc1N1CC[C@H](c2ccccc2)C[C@H]1C 350752492 PBMJXHUZDIJTCN-PBHICJAKSA-N 296.418 3.545 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@H]2c2ccc[nH]2)ccc1Cl 612580115 PSYNIONLCVAYNA-HNNXBMFYSA-N 299.761 3.517 30 20 CHED N#Cc1ccc(NC(=O)N[C@H]2CC23CCCCC3)cc1F 353524544 SXUUKXPNKXQDMR-AWEZNQCLSA-N 287.338 3.542 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)CCC1CCC1 354088137 LDUPULYXYDKZAO-UHFFFAOYSA-N 271.364 3.509 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc(C)c(F)c1 352589576 LFXXOLNUNRRANT-UHFFFAOYSA-N 287.334 3.598 30 20 CHED COc1ccc(N/C(N)=N/[C@@H]2C[C@]2(C)C(C)C)cc1Cl 263027597 AYDVIQICUPGLHH-UKRRQHHQSA-N 295.814 3.510 30 20 CHED C=CCC1(CN[C@@H](C)CC2CCOCC2)CCCC1 449604358 JYIPJJPXIPOPFB-HNNXBMFYSA-N 265.441 3.918 30 20 CHED C=CCN(Cc1csc(CCC(C)C)n1)C1CC1 357548100 AACDVDSLNXPQTP-UHFFFAOYSA-N 264.438 3.882 30 20 CHED C=C(CC)CSc1nnc(-c2ccncc2)n1CCC 539116524 HZJZCBPDEJOANG-UHFFFAOYSA-N 288.420 3.808 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCCc3sccc32)CC1 356812775 LQXFTTKLWAHIOR-ZDUSSCGKSA-N 275.417 3.988 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 537317476 JLLGRDQEJRDPLZ-QLPKVWCKSA-N 281.440 3.690 30 20 CHED N#C[C@@]1(F)CCN(Cc2ccc(Oc3ccccc3)o2)C1 615650928 OBBHMCJYZDPARH-INIZCTEOSA-N 286.306 3.509 30 20 CHED C=CCCC[C@@H](C)NC(=O)Cc1ccc(-n2cccc2)cc1 539437391 QVCFTBYRZJQFFQ-MRXNPFEDSA-N 296.414 3.881 30 20 CHED Cc1cn(Cc2ncc(-c3ccc(F)cc3)o2)cc1C#N 532906796 LXSFKLWOOVKEBQ-UHFFFAOYSA-N 281.290 3.511 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 455963466 ZHWJDQVYWDAWKY-ZJUUUORDSA-N 271.282 3.657 30 20 CHED CCc1ccccc1Cc1noc(-c2ccc(C#N)cc2)n1 618423811 YMLGYIGEGJTTPI-UHFFFAOYSA-N 289.338 3.761 30 20 CHED C=C(C)[C@H](CC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)OCC 535966390 YGBDGGQJKHBFEA-VYDXJSESSA-N 289.419 3.666 30 20 CHED C=C[C@H](CC(=O)N1CC[C@@H](C2CC2)C1)c1ccccc1 362684950 JQTGFAOWJCLOFI-RHSMWYFYSA-N 269.388 3.605 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1C#N 459832627 JMAPHAQLNFYSQQ-JSGCOSHPSA-N 256.349 3.713 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCC(C)(C)C1 538286389 ORMGDMFLLTZRDG-STQMWFEESA-N 252.402 3.609 30 20 CHED C=CCN(C(=O)c1ccc(C)c2ccccc12)[C@@H](C)COC 617585071 STJLMFNXTUYNBM-HNNXBMFYSA-N 297.398 3.811 30 20 CHED CO[C@](C)(CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 453313094 DHGMPGBNACCSSJ-DNVCBOLYSA-N 294.398 3.771 30 20 CHED Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCc2cc(C#N)ccc21 618693620 KYJYHSWELXDUAB-KRWDZBQOSA-N 293.326 3.874 30 20 CHED N#CCCCCN1CCc2sc(Br)cc2C1 610990173 OXQCBNVRCSLACR-UHFFFAOYSA-N 299.237 3.563 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1c(C)noc1C1CC1 455131107 CNSDDTPLVGJTPF-UHFFFAOYSA-N 277.368 3.584 30 20 CHED CC[C@@H](CC(=O)NCC(C)(C)CC#N)c1ccc(C)cc1 457987405 ATVKKNUEFNDNML-HNNXBMFYSA-N 286.419 3.935 30 20 CHED CC1(C)CC=C(C(=O)N[C@H](C#N)C2CCCCC2)CC1 455920617 MKRHXRXNRYCIMC-OAHLLOKOSA-N 274.408 3.712 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1ccccc1OCCOC 453586241 RMCZEBBUVZRDCQ-ZIAGYGMSSA-N 263.381 3.724 30 20 CHED C=CCCOCCCCc1nc(-c2cccc(C)c2)no1 544901853 MSYMQGBUUKVSOY-UHFFFAOYSA-N 286.375 3.960 30 20 CHED C=C(CC)CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 456828297 LFVLIWGRHIOBOL-UONOGXRCSA-N 263.768 3.526 30 20 CHED COc1cc(CN2CC[C@@H]2c2cccc(F)c2)ccc1C#N 619674475 DXNCBUWLHKYSGZ-QGZVFWFLSA-N 296.345 3.653 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCCCC2(F)F)CCC1 452316681 YEAZRGOWMQNVLC-LBPRGKRZSA-N 271.351 3.675 30 20 CHED C=CCCNC(=O)C1CCC(c2ccccc2)CC1 617616516 ZYETWXFORYVHBE-UHFFFAOYSA-N 257.377 3.653 30 20 CHED Cc1c(Cl)cnc(N[C@@H](C)c2ccc(C#N)cc2)c1C#N 542280425 LTFBTFOUHSOFON-NSHDSACASA-N 296.761 3.960 30 20 CHED N#Cc1cccc(/C=C\c2nc([C@@H]3Cc4ccccc43)no2)c1 546993779 DUYFOQBKCBAORG-XZVRFQMRSA-N 299.333 3.800 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)C[C@H](C)c1c[nH]c2ccccc12 278545755 NPAOTDGBNIDDLY-SCLBCKFNSA-N 297.402 3.716 30 20 CHED C=CCC(C)(C)C(=O)N1CCCc2ccc(F)cc21 459998910 ONTFMRWQVGTIPT-UHFFFAOYSA-N 261.340 3.707 30 20 CHED CC[C@@H](N[C@H](C)c1nnc(C)s1)c1ccc(C#N)cc1 278902186 ZJZQOIPZFYPKAX-QMTHXVAHSA-N 286.404 3.520 30 20 CHED Cc1cc([C@H](C)NCc2ccc(C#N)c(F)c2)oc1C 453365088 CQXJLGLLJYNODB-NSHDSACASA-N 272.323 3.758 30 20 CHED N#CCc1ccc(CNc2cccc3c2OCCC3)cc1 542222651 JXDXRFMORPPZJJ-UHFFFAOYSA-N 278.355 3.690 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)c1ccc(CC#N)cc1 270263341 DQEAMQVWRATHPL-AWEZNQCLSA-N 290.366 3.512 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1cccc2cccnc12)OCC 270029018 CVVVOSLKMUKSRL-OAHLLOKOSA-N 284.359 3.545 30 20 CHED C=CC[C@H](C)[C@H](C)NCC(C)(C)c1ccc(C)cn1 624112614 DUNPNNPEQDCHQV-GJZGRUSLSA-N 260.425 3.858 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2cnccc2C)cc1 271270319 CGVZQVIRSHUOPL-HNNXBMFYSA-N 282.387 3.806 30 20 CHED C=CCN(C(=O)C(C)(C)Oc1cccc(Cl)c1)C1CC1 541595822 YYFUIUJZSZSDKX-UHFFFAOYSA-N 293.794 3.674 30 20 CHED N#CCC1CCN(CCCOc2cccc(Cl)c2)CC1 543811541 SFRRCEXDJYXUDP-UHFFFAOYSA-N 292.810 3.735 30 20 CHED C=C(CC)CN[C@H](Cc1ccccc1OC)C(C)C 542565314 FNVNYZKNLHGRFW-MRXNPFEDSA-N 261.409 3.818 30 20 CHED CC(C)c1scnc1NC(=O)[C@@H](C)c1cccc(C#N)c1 464579708 WDLVQSKZGCKBGD-NSHDSACASA-N 299.399 3.880 30 20 CHED CCC[C@H]1CCCC[C@H]1NCCCSCC#N 547832865 FVYQKBCLAXHLDZ-UONOGXRCSA-N 254.443 3.582 30 20 CHED C=C(C)COCCN[C@H](Cc1ccc(F)cc1)C(C)C 540157749 FWYITTKEUJMYBV-QGZVFWFLSA-N 279.399 3.575 30 20 CHED C=CCC[C@H](CC)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 462119264 GRACWITUGJPSHE-GBJTYRQASA-N 251.414 3.524 30 20 CHED CCN(CCc1csc(C)n1)[C@H](C)c1ccc(C#N)cc1 271301811 OURQOPADJDYFQQ-CYBMUJFWSA-N 299.443 3.949 30 20 CHED N#CCc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)cc1 542277341 OAVDZWKCTKFDQC-FQEVSTJZSA-N 290.410 3.817 30 20 CHED C=C(C)Cn1c(-c2ccccc2)nnc1N(C)C1CCC1 460795819 QEFYXXQQFMYLJX-UHFFFAOYSA-N 282.391 3.510 30 20 CHED CCCC[C@H](NC(=O)NCc1cccc(C#N)c1)C1CCC1 464952131 LEGINYQJNZQVNQ-KRWDZBQOSA-N 299.418 3.716 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@@H](C)CC(C)(C)C1 541511179 HLSJMSFSEFJLSL-AWEZNQCLSA-N 287.403 3.760 30 20 CHED CC[C@H](NCc1ccc([C@H](C)O)cc1)c1ccc(C#N)cc1 278259862 NMRJRFIKKUXQSG-LIRRHRJNSA-N 294.398 3.852 30 20 CHED C=CCCN(C)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 467387757 IHPWZCHBFHXKDE-UHFFFAOYSA-N 299.370 3.741 30 20 CHED CC(C)O[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)C1(C)C 463497715 VYMMPBMKMFDRPJ-HUUCEWRRSA-N 258.365 3.562 30 20 CHED C[C@H]1CC(NC(=O)[C@H](C)c2cccc(C#N)c2)C[C@H](C)C1 462125160 BAOCEBSYDPTWSM-MGPQQGTHSA-N 284.403 3.603 30 20 CHED C=C[C@@H](C)NC(=O)c1cccc(OC2CCCCC2)c1 465103598 QEBOZECLHPWDHO-CYBMUJFWSA-N 273.376 3.702 30 20 CHED C[C@@H]1CCc2ccccc2[C@@H]1N=c1[nH]ccc(C#N)c1Cl 553145379 VHNDWPMSBTXRGX-BDJLRTHQSA-N 297.789 3.764 30 20 CHED C[C@H](CCOCc1ccccc1)N[C@@H]1CCC[C@H](C#N)C1 286997044 JWMGSKLRXPVWEE-BPQIPLTHSA-N 286.419 3.654 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2cc(C#N)oc2C)C1 280576759 HFUYPHOHFWJMCY-MRXNPFEDSA-N 274.364 3.502 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc2ccsc2c1 554424642 NALWARHHOOCSOW-UHFFFAOYSA-N 274.389 3.628 30 20 CHED N#CC1(CCCNc2cccc(Cl)c2F)CCOCC1 280948374 GDUDLUSSYMDZJZ-UHFFFAOYSA-N 296.773 3.992 30 20 CHED Cc1nsc(N[C@H]2CCc3cc(F)ccc32)c1C#N 286419821 PFKKSUNSRIYCJC-ZDUSSCGKSA-N 273.336 3.562 30 20 CHED CC1=CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 281074540 OMFSAVPGONKHEN-UHFFFAOYSA-N 299.374 3.529 30 20 CHED CC(C)(C#N)CC(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 281124678 GVZGRCLXDKTMCP-ZFWWWQNUSA-N 288.366 3.518 30 20 CHED C=CCC(C)(C)C(=O)Nc1nc2c(OC)cccc2s1 550638149 GZCSZSWEZJHLDG-UHFFFAOYSA-N 290.388 3.846 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1C=CCCC1 472060291 RVZXHNGXPBJRMU-KRWDZBQOSA-N 284.403 3.883 30 20 CHED C[C@@H]1CCCC[C@@H]1c1noc(Cc2ccc(C#N)cc2)n1 385038316 QVNCDCYSEMQHGN-DOMZBBRYSA-N 281.359 3.826 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(CC)c(Cl)c1 553568672 OPVXSLHRIHMAKG-LLVKDONJSA-N 281.783 3.822 30 20 CHED COc1ccc(Cl)cc1COC(=O)CCCCCC#N 805695482 XJNLITUCLSECTG-UHFFFAOYSA-N 295.766 3.866 30 20 CHED CCCCCCCCCNC(=O)N(C)Cc1cc(C)on1 298737455 JNNQSOSEZSLIBD-UHFFFAOYSA-N 295.427 3.875 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)N(C)Cc1cccc(C#N)c1 298272562 BJIDYYMRYQFVNT-HNNXBMFYSA-N 299.418 3.835 30 20 CHED CSc1ccc2c(c1)CC/C(=C\c1c(C)n[nH]c1C)C2=O 299466969 FLUFSHZRMMLBCF-UKTHLTGXSA-N 298.411 3.961 30 20 CHED CC[C@H](N[C@@H](C)c1cnn(CC)c1)c1ccc(C#N)cc1 295896265 IEIOLVZZHDUHPL-GUYCJALGSA-N 282.391 3.577 30 20 CHED CCCCc1noc(COc2ccc(C#N)cc2Cl)n1 298123769 CZDQRWHQBINHNA-UHFFFAOYSA-N 291.738 3.516 30 20 CHED C=CCOc1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1 294616676 SLCFWCOVQKSDCL-GOSISDBHSA-N 296.370 3.664 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 472775994 VTXRDRNWIVFOJP-CABCVRRESA-N 274.408 3.834 30 20 CHED C=CCn1c(C)nnc1N1CCC[C@@H]1c1cccc(C)c1C 290500927 VRMJXAWKKFCBIW-QGZVFWFLSA-N 296.418 3.731 30 20 CHED Cc1nsc(NCc2ncc(-c3ccccc3)o2)c1C#N 561141787 HFZCFQJRFQRBEX-UHFFFAOYSA-N 296.355 3.590 30 20 CHED CCc1cc(C#N)c(NC(=O)CC(C)(C)C)s1 298848693 JZMMJVDKZPKLHZ-UHFFFAOYSA-N 250.367 3.557 30 20 CHED Cc1nsc(N2CC[C@@H](c3ccccc3)[C@@H]2C)c1C#N 565379918 RDJPCVDYZHOABU-GXTWGEPZSA-N 283.400 3.706 30 20 CHED C#C[C@@H](C)N(C)C[C@@H](C)c1ccc(C(F)(F)F)cc1 800381836 KNXGEQCFXAFFSB-VXGBXAGGSA-N 269.310 3.762 30 20 CHED N#CCCCCCC(=O)N1CCCc2cc(F)ccc21 808214369 FNJSEPRRZUJSTH-UHFFFAOYSA-N 274.339 3.579 30 20 CHED C=C(C)CN(CC)Cc1ccnn1-c1ccccc1C 474101341 XVGLJGGDKLQXGV-UHFFFAOYSA-N 269.392 3.579 30 20 CHED COc1ccc2cc(C(=O)/C=C\c3cnccn3)ccc2c1 809152714 VQZVNNFWJGLWLW-ALCCZGGFSA-N 290.322 3.535 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)c2cccs2)cc1 290111062 FLICNGJMJDKXCP-WFASDCNBSA-N 298.411 3.795 30 20 CHED CCCc1nc(CN2CCCc3cc(C#N)ccc32)cs1 569788670 TVTLVLBJAPWYJJ-UHFFFAOYSA-N 297.427 3.920 30 20 CHED Cc1cc(CNc2nc(Cl)c(C#N)s2)cc(C)c1O 804356055 XQRFXTAHLSIJSL-UHFFFAOYSA-N 293.779 3.603 30 20 CHED C=CCn1c(N2CC[C@H](C)C[C@H](C)C2)nnc1C(C)(C)C 566037990 YLTBOGTWFPZNCV-KBPBESRZSA-N 290.455 3.634 30 20 CHED CC(C)c1ccc(-c2noc(CC(C)(C)C#N)n2)cc1 290289717 YYGWUQAMAVETSN-UHFFFAOYSA-N 269.348 3.952 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2csc(C)c2)CC1 297542401 FCRJNGXGRQFPMX-AWEZNQCLSA-N 278.465 3.748 30 20 CHED C=CCCC1(C(=O)NC2CCC(C(F)(F)F)CC2)CC1 474575399 KMXWEBOCDRJBTK-UHFFFAOYSA-N 289.341 3.970 30 20 CHED C=CCC1(C(=O)N(C)Cc2ccn(CC)c2)CCCC1 649699474 NTZVTPZDSBFNEI-UHFFFAOYSA-N 274.408 3.603 30 20 CHED C=CCCCCCSCCC(=O)N1CCC[C@H]1C 485578665 LBAVGQGQGHJCTC-CQSZACIVSA-N 269.454 3.867 30 20 CHED CCC(=NNc1ncccc1F)c1ccc(Cl)c(N)c1 814927517 RMGDFQQXQJLKNH-UHFFFAOYSA-N 292.745 3.683 30 20 CHED C=C(Cl)COC(=O)Cc1c[nH]c2cccc(Cl)c12 814526635 PWXUSRSOKYIWGQ-UHFFFAOYSA-N 284.142 3.660 30 20 CHED N#CCCC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 567906209 ORXMMIYHBAVCMJ-DUXPYHPUSA-N 290.357 3.994 30 20 CHED N#Cc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1 482960453 FUGFWZBKYJSJAE-UHFFFAOYSA-N 296.757 3.631 30 20 CHED COc1ccc([C@@H](C)C(C)=NNC[C@@H]2CCSC2)cc1 811657428 NMOQZMCPFVYLAD-JSGCOSHPSA-N 292.448 3.517 30 20 CHED N#CC1CCC(CN=c2[nH]oc3ccc(Cl)cc23)CC1 569049215 ZVAVOFMSEYLIFV-UHFFFAOYSA-N 289.766 3.645 30 20 CHED C=C[C@H](C)NC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 489051738 YJUCVNUPTOCEIW-ZDUSSCGKSA-N 297.402 3.609 30 20 CHED Cc1cccc(NN=Cc2cnc(C(C)(C)C)nc2)c1 814687685 QYHIUYGBCNRKEH-UHFFFAOYSA-N 268.364 3.529 30 20 CHED Cn1cc(/C=C/C(=O)c2cc(F)ccc2F)c(C(F)F)n1 812242271 UMZSWLDYOFMOKN-GORDUTHDSA-N 298.239 3.532 30 20 CHED C=CCCOCCN[C@@H](C)c1cc2ccncc2s1 657930097 CAOKOIROOGZEOK-LBPRGKRZSA-N 276.405 3.540 30 20 CHED CO[C@](C)(C=NNc1ccc(Br)cc1)C1CC1 814795804 HFJGUFPFURRDEY-CYBMUJFWSA-N 297.196 3.662 30 20 CHED Cc1ccc2ncc(C#N)c(OCc3cccc(C#N)c3)c2c1 488277598 HMVGUYCVWMIEKK-UHFFFAOYSA-N 299.333 3.866 30 20 CHED C[C@@H]1CCC[C@H](CNCc2ccc(C#N)s2)[C@@H]1C 481825834 SLYBFOZLKGBDFW-JHJVBQTASA-N 262.422 3.782 30 20 CHED C=CCC1(NCc2ccc(CCC)cc2)CCOCC1 657633720 ZKXVJHVSQGBBDZ-UHFFFAOYSA-N 273.420 3.854 30 20 CHED C=CCCn1cc(CN[C@@H](C)CCC2CCCCC2)nn1 657362797 IMMDWLNRSXCGDS-HNNXBMFYSA-N 290.455 3.693 30 20 CHED CC#CCCNC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 482853124 FXVAUUMDQSVWIF-HNNXBMFYSA-N 290.382 3.626 30 20 CHED C=CCC(C)(C)CNC(=O)CCCOc1cccc(C)c1 489957399 PKGNFSRILYLSEX-UHFFFAOYSA-N 289.419 3.873 30 20 CHED C=CCC1(NCc2sccc2OC)CCCC1 657701658 AQQYLBMTJNBWJD-UHFFFAOYSA-N 251.395 3.735 30 20 CHED Cc1ccc(N2CCN([C@@H]3CC[C@@H](C#N)C3)[C@H](C)C2)cc1C 815057603 VWVDZRHNTQPURW-ZHALLVOQSA-N 297.446 3.506 30 20 CHED C[C@@H]1CC(CCNc2ccc(C#N)cc2F)C[C@@H](C)O1 578028801 CHDVPOOMZJNNLP-VXGBXAGGSA-N 276.355 3.703 30 20 CHED C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)CC(C)(C)C#N 497401802 QVAOMPYVHRGUIU-GFCCVEGCSA-N 292.810 3.527 30 20 CHED CC(C)C[C@H]1CCCCCN1C(=O)CC(C)(C)C#N 499528845 LFDXDAVEYQRELD-CQSZACIVSA-N 264.413 3.744 30 20 CHED C=CCN(C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)COC 664319599 NAOAYHYUAYQNCJ-LBPRGKRZSA-N 296.798 3.703 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC(C2CCCCC2)C1 820733459 CZCNGKHGLAADQV-UHFFFAOYSA-N 282.387 3.519 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(C)cccc1Cl 491146897 PJYKSJHJJDPGTN-NSHDSACASA-N 264.756 3.572 30 20 CHED Cc1ccc(-c2ccc(F)c(C[C@H](C#N)CO)c2)s1 904820845 XGRZEDCJUPKLPQ-LLVKDONJSA-N 275.348 3.537 30 20 CHED Cn1nccc1/C=C1/CCCc2ccc(Cl)cc2C1=O 735232670 SBAYAMBCOPBVMK-XFXZXTDPSA-N 286.762 3.676 30 20 CHED CC(C)SCC(=O)OCCCCC1(C#N)CCC1 908864711 PRVVHGFEAQOESF-UHFFFAOYSA-N 269.410 3.535 30 20 CHED Cc1ccccc1C(=NNc1ccccc1C(=O)O)C1CC1 731924564 FPJLHRNXFRHSKV-UHFFFAOYSA-N 294.354 3.919 30 20 CHED C=CCC[C@H](C)N[C@H](C(=O)O)c1cccc2ccccc12 902564031 UCWGKPXSVBVSFL-GUYCJALGSA-N 283.371 3.910 30 20 CHED C[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccsc1 589349760 ZZLNMIHMZSDRCU-VIFPVBQESA-N 289.335 3.642 30 20 CHED C=CC[C@@H](NC(=O)N(CCC)CC(C)C)c1ccncc1 734682390 COODZJVJSUABLT-MRXNPFEDSA-N 289.423 3.776 30 20 CHED C=CCc1ccccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 668531187 PSLCZSMUDXMBOH-GASCZTMLSA-N 287.403 3.583 30 20 CHED C=CCN(CCc1ccco1)C[C@@H](CC)CC(F)F 660226243 VSFQGZCKZHXTBW-ZDUSSCGKSA-N 271.351 3.992 30 20 CHED N#CCOc1ccc(CN(C2CCCCC2)C2CC2)cc1 731211607 QLCMVRFLGHWOKN-UHFFFAOYSA-N 284.403 3.886 30 20 CHED CCCc1nnc(SCCCCC2(C#N)CCC2)o1 901515315 JVLBUCVQUAGTTA-UHFFFAOYSA-N 279.409 3.978 30 20 CHED C=CCN(C(=O)NCC[C@@H]1CCc2ccccc21)C(C)C 838639059 XBCZIYARPZQIIL-INIZCTEOSA-N 286.419 3.713 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)CC(C)(C)C#N 497045757 FOLSQMOOZLPCEN-KBPBESRZSA-N 264.413 3.647 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1cccc(C#N)c1 588795189 SWUDYZZXGLWTBQ-WMLDXEAASA-N 298.430 3.774 30 20 CHED CCc1onc(C)c1C=NNc1cc(Cl)ccc1C 901313408 NTONWJKEUFOLPW-UHFFFAOYSA-N 277.755 3.953 30 20 CHED C=CCCC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 588032279 WLHZVAIZCQYETN-UHFFFAOYSA-N 270.332 3.863 30 20 CHED C=CCC1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCCC1 839058406 OYGBBRMNMJYLKI-KGLIPLIRSA-N 261.365 3.748 30 20 CHED CCC[C@H]1CCCC[C@@H]1NC(=O)CCCCCC#N 588345843 XNXJMTPFCIWDCE-GJZGRUSLSA-N 264.413 3.936 30 20 CHED C#C[C@H](NC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)C(C)C 838596526 RDZOBFUEOCJYCS-BBRMVZONSA-N 290.382 3.576 30 20 CHED CCOc1cc(C#N)cc(Cl)c1OC(=O)/C=C(/C)CC 839225500 WEMLJBBZGCLIAK-POHAHGRESA-N 293.750 3.872 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1cc2c(cc1O)CCCC2 903031092 BFTRWBVXQZALLR-ZDUSSCGKSA-N 284.403 3.615 30 20 CHED Cc1cc(C=NOC(C)C)c(C)n1Cc1ccco1 835004678 VLLUQROITIRSMU-UHFFFAOYSA-N 260.337 3.505 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)N(O)Cc2ccc(F)cc2)C1(C)C 900096223 WGNRDZIAGSNZMM-HUUCEWRRSA-N 291.366 3.782 30 20 CHED C[C@@H](CCc1ccccc1)CN1CCC(CC#N)CC1 583832081 PKUUIDQVRUKPOL-INIZCTEOSA-N 270.420 3.881 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)o1)c1ccc2c(c1)CCC2 837739939 GYEJFCVOJJLULT-LLVKDONJSA-N 281.311 3.558 30 20 CHED C[C@H]1CC(=NNc2ccccc2C(F)(F)F)c2nccn21 834915443 JGAHVIGEDDLNHB-VIFPVBQESA-N 294.280 3.683 30 20 CHED CCCCSCCC(=O)O[C@H]1CCC[C@H](C#N)C1 839055336 QEHYDNPGZIZBCN-STQMWFEESA-N 269.410 3.535 30 20 CHED C#CCC[C@@H](C)OC(=O)C[C@H](C)c1ccc(OC)cc1 839037813 UUUFXOXIJZFLIX-UONOGXRCSA-N 274.360 3.534 30 20 CHED C[C@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)C1CCC1 838782374 KUGZDGJTHYYUEC-WFASDCNBSA-N 278.355 3.847 30 20 CHED C=C(CC)CN1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 678624669 JYKNKLOPTPZKHL-DTORHVGOSA-N 275.236 3.625 30 20 CHED C[C@@H](NN=Cc1ccc(N2CCCCC2)cc1)C(F)(F)F 834996167 OTQTUQXZFYNERD-GFCCVEGCSA-N 299.340 3.551 30 20 CHED C=CCC1(C(=O)OC[C@H]2CC2(Cl)Cl)CCCC1 835206890 VEEQFWRAVYDLQM-SNVBAGLBSA-N 277.191 3.860 30 20 CHED C[C@H](c1ccccc1)n1cc(N[C@@H]2CC[C@@H](C#N)C2)cn1 592393725 KKJURIBXNIAXSC-IIAWOOMASA-N 280.375 3.597 30 20 CHED C[C@@H](C#N)c1ccc(-c2ccc(N3CCCC3)nc2)cc1 592987158 QKAUHEUCPOZVPP-AWEZNQCLSA-N 277.371 3.976 30 20 CHED C=CCC(F)(F)C(=O)OCc1ccc(Cl)c(OC)c1 835764297 CAEUMFLWOLTKHW-UHFFFAOYSA-N 290.693 3.603 30 20 CHED C(=NNc1ccccn1)c1ccccc1N1CCCCC1 916273838 UPQOFBCHGKIPRG-UHFFFAOYSA-N 280.375 3.518 30 20 CHED CC[C@H](C/N=C\c1ccccc1O)Oc1ccccc1F 749008570 XWJACGJRLBYDOZ-AXLWCPOOSA-N 287.334 3.808 30 20 CHED COc1ccc(C)cc1C(C)=NNc1cccc(C(=O)O)c1 744555547 QDEBDOSJLOAPJK-UHFFFAOYSA-N 298.342 3.538 30 20 CHED CCOc1ccc(O)c(/C=N\[C@H](C)Cc2ccsc2)c1 918711900 BHLPNGAZRUTIKD-HJPCULJESA-N 289.400 3.903 30 20 CHED CCCCCC[C@H](C)NN=Cc1c[nH]nc1-c1cccnc1 743450756 PSXZDLLVMQEOCR-AWEZNQCLSA-N 299.422 3.754 30 20 CHED CCc1ccc(C)nc1NCc1ccc(C#N)cc1F 594744346 YMPYJGLAMAZMGT-UHFFFAOYSA-N 269.323 3.575 30 20 CHED Cc1cccc(-c2nnc(S[C@H]3CC[C@@H](C#N)C3)o2)c1 590708734 HELUNARHDRQVHH-YPMHNXCESA-N 285.372 3.829 30 20 CHED C#CCN(CC)C(=O)/C=C(/CC)c1cccc(Cl)c1 744475362 MHBDRHQZWVSZRX-SEYXRHQNSA-N 275.779 3.615 30 20 CHED Cc1ccc(NN=C2[C@H]3CCCO[C@@H]3C2(C)C)cc1 743417443 JBWXUQWZTNWQEQ-HIFRSBDPSA-N 258.365 3.598 30 20 CHED CC[C@H](C(=O)N(CC)[C@H](C)C#N)C1CCC(C)CC1 598361284 GBRUQNDJFRVVHI-JYVUQVBGSA-N 264.413 3.599 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(C)c(C)s1 741857542 OOUUTDLVUZARGA-LBPRGKRZSA-N 298.477 3.665 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\Cc2ccc(Cl)cc2C1=O 849246038 DRINVNDGBGKDGL-KPKJPENVSA-N 298.773 3.773 30 20 CHED C#CCCCCCC(=O)NC1(c2ccccc2C)CC1 843629213 ASKUXKZRCPPFJE-UHFFFAOYSA-N 269.388 3.684 30 20 CHED C=CCCSCCN[C@@H]1Cc2[nH]c3ccccc3c2C1 595059827 PKUZQPZBIHHWRJ-ZDUSSCGKSA-N 286.444 3.534 30 20 CHED COc1cccc([C@@H](C)N2CCC(CCC#N)CC2)c1 592135591 YXDFQSRVRXHYCC-CQSZACIVSA-N 272.392 3.772 30 20 CHED CCCCCC[C@H](C)C(=O)N(C)c1ccc(C#N)nc1 844826446 RJHDSQADTKLGTM-ZDUSSCGKSA-N 273.380 3.523 30 20 CHED CC1=C(C(=O)[C@H](C#N)c2nc3ccccc3o2)CCC1 747212759 MIDJVVVTYYTOLX-LBPRGKRZSA-N 266.300 3.504 30 20 CHED CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)C1CCC1 590928128 PYENEKSFTFAKNY-SUMWQHHRSA-N 299.418 3.887 30 20 CHED CC1(C)CN(Cc2cc(C#N)ccc2F)[C@H]1c1cccnc1 596594354 UAPNAZQRQJCQFF-KRWDZBQOSA-N 295.361 3.675 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 847167260 IBVUMGPVCYUPJV-YHVDPYDOSA-N 284.403 3.758 30 20 CHED C=CCCN[C@H](CC)c1ccc(OC(F)F)cc1 678796061 XOLKVBGHWZSHSO-CYBMUJFWSA-N 255.308 3.905 30 20 CHED N#CC1(CC(=O)NCCCc2ccccc2)CCCCC1 596630424 RKMDHQYRUUVVRV-UHFFFAOYSA-N 284.403 3.600 30 20 CHED CN(C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 590607632 IXUZIEKHKAHPDS-UHFFFAOYSA-N 285.734 3.880 30 20 CHED CC(=NNCC(F)F)c1ccc(N2CCCCCC2)cc1 740617774 OYDZUNXRYCQYKW-UHFFFAOYSA-N 295.377 3.646 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 915339834 MDGYHZHGHVEFGM-NBZXXOOGSA-N 294.398 3.614 30 20 CHED Cc1cc(S[C@H]2CCOC(C)(C)C2)ccc1C#N 592355435 BHSAHWRHNRGOGJ-AWEZNQCLSA-N 261.390 3.916 30 20 CHED C=C(CNC(=O)Cc1cc2ccccc2o1)c1ccccc1 685215812 MZAQGJBEPBNWPE-UHFFFAOYSA-N 291.350 3.805 30 20 CHED CCN(C(=O)CCCc1ccc2ccccc2c1)[C@@H](C)C#N 598357031 CTKPIUAADZIANV-HNNXBMFYSA-N 294.398 3.923 30 20 CHED Cc1ccc(C=NNc2ncccc2C(F)(F)F)s1 915051374 RHMZVQIFHPYYKN-UHFFFAOYSA-N 285.294 3.916 30 20 CHED CCOC(=O)c1ccc(S[C@@H](C)CCC#N)c(F)c1 592361598 HSFQHSABGXWARB-JTQLQIEISA-N 281.352 3.787 30 20 CHED C=C[C@H](C)ONC(=O)N(C)[C@H](C)c1cc2ccccc2o1 845639665 SBQIHLQJMLWRII-NWDGAFQWSA-N 288.347 3.641 30 20 CHED CN(C)Cc1ccc(F)c(-c2ccc(CC#N)s2)c1 596640678 OQWBRQXJSNTUEP-UHFFFAOYSA-N 274.364 3.682 30 20 CHED CCCCCCCCCn1nc(-c2ccco2)oc1=O 915794360 SKTDXCPSLZVCRY-UHFFFAOYSA-N 278.352 3.847 30 20 CHED CC[C@H](Cc1ccccc1)N(CC)Cc1ccc(C#N)cn1 593961731 LWPAOZXQFOAQTL-LJQANCHMSA-N 293.414 3.796 30 20 CHED CCC(=NNc1ccccc1Br)[C@@H]1CCOC1 741847163 HHXIWFYYZAKXIH-SNVBAGLBSA-N 297.196 3.664 30 20 CHED N#Cc1cccc(CNCCC[C@H]2CC2(Cl)Cl)c1 846102659 PUNRZDPRSDMYSG-ZDUSSCGKSA-N 283.202 3.622 30 20 CHED C[C@@H]1Cc2c(sc(NC(=O)CCCF)c2C#N)[C@@H](C)C1 598840755 ZRLJXPBHNJFNRC-UWVGGRQHSA-N 294.395 3.994 30 20 CHED CC(C)[C@@H]1N(C(=O)CCCCCC#N)CC12CCCC2 590889999 SEWONVIXUSOIFV-INIZCTEOSA-N 276.424 3.888 30 20 CHED C=C(C)CN1CCC(NCc2ccccc2C(C)C)CC1 848534528 RPCAXSVKDQHCHH-UHFFFAOYSA-N 286.463 3.940 30 20 CHED C#CCOc1ccc(C(=O)N(CC)[C@@H]2CCCC[C@@H]2C)cc1 741553327 JEIUWQMNBWPQBG-MAUKXSAKSA-N 299.414 3.739 30 20 CHED C=CCNC(=S)N(Cc1c(C)cccc1C)CC(C)C 843273067 AHPCYAZUXXDPSA-UHFFFAOYSA-N 290.476 3.822 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(CCCC)cc1 700626818 RSCJFUUNAXVDNT-UHFFFAOYSA-N 269.388 3.515 30 20 CHED N#Cc1ccccc1CONC(=N)C1CCCCCC1 746564801 LTMIGPHMJFDTBE-UHFFFAOYSA-N 271.364 3.527 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)c1nccs1 846756669 ZGPVCVZMQQETEE-UHFFFAOYSA-N 276.409 3.503 30 20 CHED C/C(=C\C(=O)NCC1(C#N)CCC1)c1ccccc1Cl 841468011 AFTJPLVGUKPQLK-FMIVXFBMSA-N 288.778 3.553 30 20 CHED CCCCCC[C@H]1CCCC1=NN(C)C(=S)NC 841646470 HCQPKUJWOXXLLE-LBPRGKRZSA-N 269.458 3.549 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1cnc(C(C)(C)C)nc1)C2=O 840716709 ALFBHWWPOWLLKL-NVNXTCNLSA-N 292.382 3.905 30 20 CHED C#C[C@@H](OC(=O)[C@@]1(C)CC=CCC1)c1ccccc1 842392364 OLNVGFWLKBZVGH-WBVHZDCISA-N 254.329 3.651 30 20 CHED C#CC[C@@H](Nc1nc(-c2ccccc2)no1)c1ccccc1 756957586 WFQPKVAIHJASLY-MRXNPFEDSA-N 289.338 3.913 30 20 CHED CCCCCCCCC(=O)Nc1ncc(C#N)s1 759634786 WYWPMIFOGZJEHR-UHFFFAOYSA-N 265.382 3.704 30 20 CHED CCn1cc(C(=O)/C=C\c2ccc(SC)cc2)cn1 920991987 WDAPOBJEZAQZFI-TWGQIWQCSA-N 272.373 3.521 30 20 CHED CCCCCC=Nn1c(S)nnc1-c1ccccc1F 755546566 UAXIBDHUYQTFTH-UHFFFAOYSA-N 292.383 3.787 30 20 CHED C=CCOc1cccc(NC(=O)C=C(CC)CC)c1 759162877 HUWOYIRMEINNOX-UHFFFAOYSA-N 259.349 3.936 30 20 CHED CCCCCCCCCCNC(=O)[C@H]1CCCOC1 755485409 IHTQGJHLGQVNLQ-HNNXBMFYSA-N 269.429 3.670 30 20 CHED CCCCCCCC(=O)N[C@H]1CN(C)Cc2ccccc21 757582030 YYWLHFODZOQTIL-KRWDZBQOSA-N 288.435 3.650 30 20 CHED C#CC[C@H](OC(=O)c1ccc(Cl)c(C)c1)c1ccccn1 759547529 IQTGCALURUBRPE-INIZCTEOSA-N 299.757 3.965 30 20 CHED CCC(=NNc1cccc(OC)c1)c1ccc(N(C)C)cc1 759197811 WJPXKMRQUKBOEO-UHFFFAOYSA-N 297.402 3.987 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@](C)(F)CCCC)C1 855436738 JXYKRYKMVIJUIU-DZGCQCFKSA-N 255.377 3.720 30 20 CHED COc1cc2c(cc1/C=C1/CCCC(C)(C)C1=O)OCO2 758931448 NMANWYCYVUSEQM-XFFZJAGNSA-N 288.343 3.587 30 20 CHED C=CCCONC(=O)c1oc2ccccc2c1CSC 856028909 RGHRXHPGNYFSQJ-UHFFFAOYSA-N 291.372 3.533 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 935787140 JBQUOJRDPHQRAP-NURSFMCSSA-N 297.320 3.678 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1sccc1C#N 931843489 RFLMIUWTWABTBP-NQBHXWOUSA-N 289.404 3.805 30 20 CHED C#CCCc1noc([C@H](C)CSc2ccc(F)cc2)n1 762010912 DPXDPNGZOVSOKX-LLVKDONJSA-N 290.363 3.670 30 20 CHED N#CC1(CCCNC2(C3CCCCC3)CC2)CCOCC1 934790022 QWFUWLHUMBAMLZ-UHFFFAOYSA-N 290.451 3.789 30 20 CHED COc1cc(F)ccc1NN=C1CCCC1(C)C 761890591 ODQVGLKGGYUIMC-UHFFFAOYSA-N 250.317 3.812 30 20 CHED CC(=NNc1cncc(Cl)n1)c1csc(C(C)C)n1 768772820 JHCQAITWTSFJEB-UHFFFAOYSA-N 295.799 3.546 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2ccc(Cl)nc2)C1 768367508 QCCCMHGVQZFYGH-GHMZBOCLSA-N 251.761 3.959 30 20 CHED C[C@@H](OC(=O)C(F)=C1CCCC1)c1ccc(C#N)cc1 764407869 HVSKXKQRGBYHRC-LLVKDONJSA-N 273.307 3.960 30 20 CHED COc1cc(/C=C\C(=O)c2ccco2)cc(Cl)c1O 769772353 XWKKSZYRCUHEQA-PLNGDYQASA-N 278.691 3.543 30 20 CHED Oc1ccc(/C=N\CCC2=CCCCCC2)c(O)c1O 767338716 QTYMWPGVTJMQPU-BOPFTXTBSA-N 275.348 3.503 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)C1CCCCCCC1 766579327 JUSNEEVLXQHYCL-INIZCTEOSA-N 264.413 3.791 30 20 CHED C#CCCc1noc([C@@H](C)CSc2ccc(F)cc2)n1 762010913 DPXDPNGZOVSOKX-NSHDSACASA-N 290.363 3.670 30 20 CHED CC(=NNc1c(C)cccc1F)c1cccc(C#N)c1 769828702 VHZJDJJTHXPUIL-UHFFFAOYSA-N 267.307 3.842 30 20 CHED Clc1cc(C=NNC2CCCC2)c2ncccc2c1 763172432 MBQOWXMKLNXJMQ-UHFFFAOYSA-N 273.767 3.754 30 20 CHED O=C(C=NOCc1cc2ccccc2o1)Nc1ccccc1 767825196 OQRPXIOOLAICEM-UHFFFAOYSA-N 294.310 3.574 30 20 CHED CCc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)o1 760248102 HYAMCVAAASWGRW-UHFFFAOYSA-N 273.292 3.505 30 20 CHED C#C[C@H](C)N(C)Cn1c(-c2ccccc2)csc1=S 766666265 PEDWTVGCLISHFC-LBPRGKRZSA-N 288.441 3.857 30 20 CHED CO[C@@H](C)C(C)=NNc1c(Cl)cc(F)cc1Cl 767910229 FXEPHMCSBBZLRS-ZETCQYMHSA-N 279.142 3.955 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cnc(C2CC2)s1 768697397 JPSOLMHJRBYCED-UHFFFAOYSA-N 292.404 3.897 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 878090263 WRJPQHNIXWQZDW-ZDUSSCGKSA-N 275.392 3.817 30 20 CHED COc1ccc(O)c(/C=N/[C@@H]2CCCc3sccc32)c1 767339612 VSIOZESDZDUULX-NGWPFTMJSA-N 287.384 3.959 30 20 CHED CCN(CCc1ccccc1)C(=O)Nc1sccc1C#N 1119912313 XVAXZBUWGBJXDU-UHFFFAOYSA-N 299.399 3.716 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1ccc(OCCC(C)C)cc1 1116620611 LBTQKJWHNYZLMP-RDJZCZTQSA-N 291.435 3.963 30 20 CHED Cc1c(C(=O)OCC2(C#N)CC2)oc2c(C)cccc12 775853343 QDPFQSJKXUGPPS-UHFFFAOYSA-N 269.300 3.510 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(Cl)s1 33192831 IZLARUFDNUKFKU-VIFPVBQESA-N 282.796 3.663 30 20 CHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccnc(Cl)c1 779461131 WDSXGOQNEXOBIP-IWQZZHSRSA-N 294.137 3.990 30 20 CHED N#CC[C@@H](CC(=O)OC(C1CC1)C1CC1)c1ccccc1 870489932 RJPGFJSAWSMWBO-INIZCTEOSA-N 283.371 3.806 30 20 CHED COc1ccc(N(CCC(C)(C)C#N)C(C)C)cc1F 776588469 VXDJDZWSJBJTBC-UHFFFAOYSA-N 278.371 3.989 30 20 CHED Clc1ccnc(NN=Cc2ccccc2Cl)c1 777906977 KKNVDVNISAVFAR-UHFFFAOYSA-N 266.131 3.834 30 20 CHED CC(C)(C#N)CCOC(=O)c1scnc1C(C)(C)C 776393561 HEUFVUCJATWEOM-UHFFFAOYSA-N 280.393 3.537 30 20 CHED C[C@H](NC(=O)c1csc(C#N)c1)c1cccc(C2CC2)c1 1117947530 STBNRAQRXGYBMQ-NSHDSACASA-N 296.395 3.988 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)OCCC(C)(C)C#N)C1(C)C 776365414 GOZOTCOEONHFIM-STQMWFEESA-N 263.381 3.708 30 20 CHED CC(C)(C)Oc1ccc(C/N=C/c2ccccc2O)cn1 778518919 TZIDQCOXKBSQHS-LDADJPATSA-N 284.359 3.584 30 20 CHED N#C[C@H](Sc1nc2cccc(F)c2s1)C1CC1 882346400 QFJBNUUJOKJDGB-JTQLQIEISA-N 264.350 3.830 30 20 CHED Cc1ccc([C@@H]2CCCC2=NN=c2cc[nH]cc2)cc1 779810713 IJVPSJWWXQIRTD-INIZCTEOSA-N 265.360 3.548 30 20 CHED CCC(=O)N(C)c1ccc(NCc2ccc(C#N)s2)cc1 883310228 FRQULAYWYXOTHM-UHFFFAOYSA-N 299.399 3.605 30 20 CHED CCC[C@H](C)C(CC)=NN[C@@H]1CCOC(C)(C)C1 780253538 WVZMUTZTQHAPQY-QWHCGFSZSA-N 254.418 3.736 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1c(C)noc1CC 1123411879 SRZQCDFREXIWDX-GFCCVEGCSA-N 277.368 3.508 30 20 CHED CCC(Cc1ccc(C)cc1)=NNCCc1ccncc1 789097793 UZLIZIQHWGLDLP-UHFFFAOYSA-N 281.403 3.531 30 20 CHED CC(=NNCCC(C)(C)C)c1cnn(C(C)C)c1C 787161722 FPXKUEVPJNHFSO-UHFFFAOYSA-N 264.417 3.522 30 20 CHED Cc1cc(O)c(CN2CCC[C@](C)(C#N)C2)cc1C(C)C 784012167 GVHULYNZRCGPFK-GOSISDBHSA-N 286.419 3.950 30 20 CHED CC(C)(C#N)CC(=O)Oc1cccc(C(C)(C)C)c1 781869612 SDYNHCPFXWVCMV-UHFFFAOYSA-N 259.349 3.829 30 20 CHED C=CCCCCCCCNC(=O)Nc1conc1C 888728542 JWTQLXUKDMSJAN-UHFFFAOYSA-N 265.357 3.631 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2ccc(C#N)cc2F)c1 1126322741 BQACMOJAZLIMKL-UHFFFAOYSA-N 296.345 3.671 30 20 CHED CC[C@H]1CCC[C@@H](C=Nn2c(S)nnc2C(C)C)C1 783805773 KEZFVWPRNNHWSC-NWDGAFQWSA-N 280.441 3.741 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(F)cc(Cl)c1O 783947445 FSSBVXKIUVCRHL-UHFFFAOYSA-N 299.729 3.671 30 20 CHED CC[C@H](C)CCCCC(=O)NCc1cc(C#N)ccc1F 784049206 GKWVQESXNQXMFX-ZDUSSCGKSA-N 290.382 3.920 30 20 CHED C#CCCN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 781348542 JTFXRPVNWUCJJH-LLVKDONJSA-N 293.235 3.504 30 20 CHED Cc1cc(C)c(NC(=S)NCCCC#N)c(Cl)c1 783755328 BNYNZLTXYXJCSM-UHFFFAOYSA-N 281.812 3.547 30 20 CHED Cc1cc(C=NOc2ccccc2C(F)(F)F)sn1 785457046 CHYRWBMFAJHMMO-UHFFFAOYSA-N 286.278 3.883 30 20 CHED Cc1cc(C(=O)/C=C\c2ccc(F)c(C#N)c2)oc1C 799898434 ZGVCVBVSDXGQJH-XQRVVYSFSA-N 269.275 3.803 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1cc(F)cc(F)c1 797123696 GWTXXNIITRBUNR-LKFCYVNXSA-N 267.275 3.509 30 20 CHED COc1cccc(/C=C/C(=O)C2CCCCC2)c1F 799891220 MFWCQUCWIBZUOG-ZHACJKMWSA-N 262.324 3.997 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1cc(C)c(C)o1 799896731 YFMMIWGGHBOSLU-HJWRWDBZSA-N 286.327 3.810 30 20 CHED CSCCON=C(C)c1ccccc1Br 794575168 XWVAZVIFRSFHIR-UHFFFAOYSA-N 288.210 3.553 30 20 CHED C#C[C@H](NC(=O)C1=C(C)CCC1)c1ccc(Cl)cc1 794060613 PZESOTWUJXCFRC-HNNXBMFYSA-N 273.763 3.631 30 20 CHED COc1ccc([C@H](C)OC(=O)c2ccc(F)c(C#N)c2)cc1 790908250 ZGIQCKFWCTVHOE-NSHDSACASA-N 299.301 3.624 30 20 CHED N#CC[C@@H](CC(=O)OCc1ccc(F)cc1)c1ccccc1 795990464 LALSXDUTCKAAPK-INIZCTEOSA-N 297.329 3.956 30 20 CHED C=CCCCCC[C@H](C)NC[C@@H]1CCC[C@@H](O)C1 793530602 BMWZZCIATLYKEH-ARFHVFGLSA-N 253.430 3.652 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1cc(C)on1 790289920 MAFSHRBOCUXERX-UHFFFAOYSA-N 285.134 3.521 30 20 CHED C#CCC(C)(C)C(=O)N1CC2(CCC2)c2ccccc21 791020072 POCDKMISNQVYIV-UHFFFAOYSA-N 267.372 3.504 30 20 CHED Cc1csc(C(=O)OCc2ccccc2C#N)c1Cl 791595324 NVOYSUFUDQGKJM-UHFFFAOYSA-N 291.759 3.939 30 20 CHED CC[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@@H]1C 1215839280 YNINUJJAKVOGSJ-ZYHUDNBSSA-N 291.782 3.864 30 20 CHED N#Cc1cc(NCc2c(F)cccc2F)ccc1F 51635094 JNERYHPYZPCQMD-UHFFFAOYSA-N 262.234 3.588 30 20 CHED N#Cc1cc(=NC[C@@H]2CCCC[C@H]2c2ccccc2)cc[nH]1 1163305179 IGCVJWXELPEYIQ-LPHOPBHVSA-N 291.398 3.761 30 20 CHED COc1cc(CNc2ccc(CC#N)cc2)ccc1F 1323858723 DJGKQDQCQSEQHJ-UHFFFAOYSA-N 270.307 3.512 30 20 CHED CC(C)(C#N)CNCc1cccc(OCc2ccccc2)c1 394490617 QSUXVIJXNLUFFV-UHFFFAOYSA-N 294.398 3.905 30 20 CHED CCc1nc(C#N)cc(N[C@H](c2ccc(F)cc2)C(C)C)n1 1170064233 ZBOHUPFKXKRKGK-KRWDZBQOSA-N 298.365 3.859 30 20 CHED Cc1coc(C)c1C(=O)Nc1ccc(Cl)cc1C#N 1587283712 URHVZUBPFFNLSE-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CCCC[C@@H](C)C(=O)Nc1ccc(Cl)cc1C#N 702396380 CKSMJROXWZUPBD-SNVBAGLBSA-N 264.756 3.976 30 20 CHED N#Cc1cc(Cl)c(C(=O)NC/C=C/C2CC2)c(Cl)c1 1326368643 CIYZBKGOYWOOPK-OWOJBTEDSA-N 295.169 3.561 30 20 CHED C[C@@H]1CCCC[C@@H]1OCc1nnc(-c2ccc(C#N)cc2)o1 1328348087 NQLDXIHWUCPDHQ-DOMZBBRYSA-N 297.358 3.704 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)c1csc(C#N)c1 1324645007 MVEIUXAQFSJRLY-UHFFFAOYSA-N 298.411 3.981 30 20 CHED CC[C@@H](CNc1ccc(C#N)cc1OC)CC(F)F 594706620 BIZDHERPWZTGRM-SNVBAGLBSA-N 268.307 3.660 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Nc1nocc1C 1322374459 MXPJQWGAHVQRKA-UHFFFAOYSA-N 285.347 3.593 30 20 CHED C=CCCCCOC(=O)CSCc1cccs1 1324954018 RMIMTEUFIRJHLQ-UHFFFAOYSA-N 270.419 3.881 30 20 CHED COc1ccc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)cc1 695815164 KHZDJWMCHIZRHG-QWHCGFSZSA-N 260.381 3.674 30 20 CHED Cc1cccc(Cl)c1NC(=O)Cc1ccc(C#N)cc1 90537804 MVTXAKVPROQFHU-UHFFFAOYSA-N 284.746 3.701 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(F)c2cccnc12 1337356629 DSMYKEYSXAZKCQ-GFCCVEGCSA-N 284.334 3.555 30 20 CHED N#Cc1c(F)cccc1N[C@H]1CCOC2(CCCC2)C1 94367933 CXMUMBCMXHQCSS-LBPRGKRZSA-N 274.339 3.601 30 20 CHED C[C@@H](C#N)OCCN1C[C@H](C(C)(C)C)Cc2ccccc21 1196919963 QNUPYWNQFVYQOS-GOEBONIOSA-N 286.419 3.640 30 20 CHED C(=NOCc1ccccc1)c1ccccc1N1CCCC1 1337253416 SQMDSBDXUCIOAN-UHFFFAOYSA-N 280.371 3.838 30 20 CHED CC(C)[C@H]1CCc2ccccc2N1Cc1cc(C#N)ccn1 1193022411 UAWGPLOCDKUVPP-GOSISDBHSA-N 291.398 3.931 30 20 CHED Cc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)c(F)c1 1348059007 PFQDAMZTODTRGO-AWEZNQCLSA-N 282.318 3.770 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)C1 1343401320 VYPBNACURHZDPR-NOOOWODRSA-N 289.297 3.591 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cc(-c3ccccc3)ccn2)C1 1263417600 JNOJDDMPEFOZFD-CJNGLKHVSA-N 292.338 3.598 30 20 CHED C=C(C)CCC(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 1354481379 OHNCIDDVSBADLM-CYBMUJFWSA-N 292.448 3.898 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)O[C@@H](CC#N)c1ccco1 1350311779 PJWWAXMSRHRIJI-OSAQELSMSA-N 261.321 3.604 30 20 CHED CC1(C)C[C@@H]1CNC(=O)c1c(Cl)cc(C#N)cc1Cl 1443772029 QEIHNFMQHMVQHP-SECBINFHSA-N 297.185 3.641 30 20 CHED C=C[C@H](C(=O)Nc1ccc(C(=O)O)c(C)c1)c1ccccc1 1602713298 YFGCVDUMCSZABC-HNNXBMFYSA-N 295.338 3.602 30 20 CHED CC(C)[C@@H]1CCCN(c2nc(C#N)c(Cl)s2)CC1 1472698049 IXODKJUYKPQXKL-SNVBAGLBSA-N 283.828 3.931 30 20 CHED Cc1cc(C)c(COC(=O)c2ccc(C)c(C#N)c2)c(F)c1 1530667047 HNUUTEUUAQVAAS-UHFFFAOYSA-N 297.329 3.980 30 20 CHED N#Cc1cccc(CN2CCCc3cc(F)ccc32)c1F 1615954686 VUJKAZVMRSZMAB-UHFFFAOYSA-N 284.309 3.789 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cc(F)cc(C#N)c2)c(C)c1 1626925685 POJZYVKXMRHQMM-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CC[C@H](C#N)C(=O)NCC1(c2ccc(C)cc2C)CCCC1 1637843349 FHGSKZVFGWEWCR-MRXNPFEDSA-N 298.430 3.781 30 20 CHED C=C(Cl)CN1C[C@H](C)Oc2ccc(Cl)cc21 1644707763 QBJTWBWTFFKRIG-VIFPVBQESA-N 258.148 3.680 30 20 CHED C[C@@H](c1cc2ccccc2o1)N(C)Cc1cccc(C#N)n1 1652095686 PSMSTBPVMGDKLA-ZDUSSCGKSA-N 291.354 3.892 30 20 CHED COc1cc(CSc2cccnc2C#N)ccc1C 1651984528 XXILMCFHKBTYRX-UHFFFAOYSA-N 270.357 3.563 30 20 CHED CCCCc1cc(N[C@@H](C)c2ccc(C#N)cc2)ncn1 1651434228 RRRJGWRTSUSXND-ZDUSSCGKSA-N 280.375 3.864 30 20 CHED CC(C)(C)c1ccc(C#N)c(Sc2cccc(CO)c2)n1 1655850888 QFWIGISWCIPVCE-UHFFFAOYSA-N 298.411 3.894 30 20 CHED CCc1nc(C#N)cc(S[C@H](C)c2ccccc2F)n1 1655049601 WTAZMSCWRGEFPC-SNVBAGLBSA-N 287.363 3.903 30 20 CHED CC[C@@H](CC#N)NCc1ccc(OC)c(C(C)(C)C)c1 1658141113 SLXUVKOHOUZTMF-AWEZNQCLSA-N 274.408 3.775 30 20 CHED C=CCC[C@H](CC)NC[C@@H](CC1CCCC1)C(=O)O 1588777956 NVOAJFUSMSEVII-CABCVRRESA-N 267.413 3.602 30 20 CHED C[C@H]1CCC[C@H](NCc2cccc(F)c2C#N)CC1 1664315632 KMFSGESLBMTNBP-JSGCOSHPSA-N 260.356 3.756 30 20 CHED Cc1ccc(CCNC(=O)Nc2sccc2C#N)c(C)c1 1671449550 KOCCGWYSAPXERE-UHFFFAOYSA-N 299.399 3.601 30 20 CHED Cc1c(NN=CC2CCC(C)CC2)cccc1C(=O)O 1776088451 MZBMMNAQKLSEQR-UHFFFAOYSA-N 274.364 3.917 30 20 CHED CC(CCCCCCC(=O)O)=NNCc1ccc(C)cc1 1776061448 WQTXESGBDWUYGA-UHFFFAOYSA-N 290.407 3.886 30 20 CHED C=CCCCCN1CCC[C@@H]([C@@]23CC[C@@H](C2)[C@@H]3C(=O)O)C1 1776174835 HEHBKWLSIJZLMW-BVIKNXMNSA-N 291.435 3.556 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(Cc2cccc(C3CC3)c2)C1 1776155739 SOTQJJDIUKIHSJ-LJQANCHMSA-N 299.414 3.807 30 20 CHED C=C(C)CNC(=O)CCCCc1nc2ccccc2s1 161099693 RTLGASNLNUJNFY-UHFFFAOYSA-N 288.416 3.701 30 20 CHED N#Cc1cccc(NCc2c(C3CC3)nc3sccn23)c1 161159379 KKDKYENRAUIMPA-UHFFFAOYSA-N 294.383 3.757 30 20 CHED C=CCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 161464821 OWKGFTPBSBRLBS-VXGBXAGGSA-N 284.186 3.741 30 20 CHED CCN(Cc1cccc(F)c1)Cc1ccc(F)c(C#N)c1 160562904 LALUAQKIHLAXLG-UHFFFAOYSA-N 286.325 3.859 30 20 CHED C=C(C)CNC(=O)c1occc1CSc1ccccc1 153055575 NQTBTPDFWAXNFE-UHFFFAOYSA-N 287.384 3.878 30 20 CHED C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 153466076 BNRCWZKEPFZKCO-LLVKDONJSA-N 284.746 3.703 30 20 CHED C=CCNC(=O)[C@@H](C)S[C@@H]1CCc2c(Cl)cccc21 155901401 NHPSCEUJTOMCKY-QMTHXVAHSA-N 295.835 3.751 30 20 CHED C#Cc1cccc(N(C)C[C@@H]2CCC3(CCCC3)O2)c1 801514941 PPGZNMPCWFRFHI-KRWDZBQOSA-N 269.388 3.596 30 20 CHED C#Cc1ccc(NCc2ccn(C3CCCC3)n2)cc1 901516483 IZGRFXRSXWDSNG-UHFFFAOYSA-N 265.360 3.592 30 20 CHED C=CC[C@H](C)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C 812724426 CUGYASQMVRDSAE-QLFBSQMISA-N 296.455 3.576 30 20 CHED C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 35255674 OPIKJNLRCSFZMY-NSHDSACASA-N 267.288 3.640 30 20 CHED CCCC[C@H](CC)C(=O)N[C@@H](C#N)C1CCCCC1 40360126 WCVBVJPNOKOSCM-ZFWWWQNUSA-N 264.413 3.791 30 20 CHED Cc1nc(N2CCC3(CC2)CC3(F)F)c(Cl)cc1C#N 404871865 UWUPCSAGTRECAQ-UHFFFAOYSA-N 297.736 3.541 30 20 CHED C[C@@H]1CC[C@@H](NCCc2cccc(C#N)c2)C[C@H]1C 466423311 QPSFOUSISAZWII-CKEIUWERSA-N 256.393 3.515 30 20 CHED CC[C@H]1CCC[C@@H](NCc2cc(C#N)ccc2F)C1 85065291 JNTHLLBEGTXBJQ-SWLSCSKDSA-N 260.356 3.756 30 20 CHED C=CC[C@H](C)N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 678929824 OQGGXVKERYNWDC-RDJZCZTQSA-N 272.436 3.594 30 20 CHED CC[C@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1Cl 384292802 XVQGFNMWHIBERN-NHYWBVRUSA-N 262.784 3.832 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc2sccc2c1 386115331 BJQKWTWHWSMOOK-UHFFFAOYSA-N 272.373 3.666 30 20 CHED COc1ccc(Nc2nc(C)c(C#N)cc2Cl)cc1 388379660 RJINWJGCLVLDHJ-UHFFFAOYSA-N 273.723 3.667 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Cl)c(N)c(Cl)c1 393757859 JDGACMBUSJVJGK-SECBINFHSA-N 287.190 3.660 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1NCCSc1ccccc1 7366349 MOQQMZQZPAHKPX-UHFFFAOYSA-N 299.355 3.671 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1cccc(OC(F)F)c1 7713137 XTVSBUDHLHBWNR-RMKNXTFCSA-N 290.265 3.890 30 20 CHED CC[C@H](C#N)NC(=O)CCCc1ccc(Cl)c(Cl)c1 102353135 IBSROQFFJOVYAF-LLVKDONJSA-N 299.201 3.734 30 20 CHED CCc1ccsc1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 116810927 RIKCJBYCGOTYSK-IAQYHMDHSA-N 276.405 3.513 30 20 CHED C#CCCOc1ccc(CNCc2ccc(F)cc2)cc1 113310963 CLRUPQLIDCKQIC-UHFFFAOYSA-N 283.346 3.518 30 20 CHED COCc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 172814010 CTKHYEYMZAAMEP-CMDGGOBGSA-N 297.310 3.637 30 20 CHED C=C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 111074907 DWNHAOFHCNFEQV-UHFFFAOYSA-N 294.398 3.886 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OCCC)cc1C 117002567 YOOWJXDUDYKNDZ-CYBMUJFWSA-N 276.380 3.870 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)C(C)C 171928597 MRPCURDIEUHDFD-ZDUSSCGKSA-N 263.356 3.632 30 20 CHED N#Cc1cc(F)ccc1COc1cccc2ncccc12 171368371 RFYWWRSCZWATPD-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C=CCCCC(=O)N(CCC)Cc1ccc(C#N)cc1 175243626 GINCNTXNPNVUQW-UHFFFAOYSA-N 270.376 3.653 30 20 CHED CCCCCCCCS(=O)(=O)c1ccc(F)cc1 113540317 OPKDESWKAMUAAN-UHFFFAOYSA-N 272.385 3.960 30 20 CHED C/C=C/C=C/C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 66391902 YGEIZVZYAHVASH-CVDZTHMFSA-N 295.169 3.807 30 20 CHED C[C@@H](CC#N)NC(=O)CC(c1ccccc1)c1ccccc1 64333160 XENPOCGFRDEXKJ-HNNXBMFYSA-N 292.382 3.627 30 20 CHED CN(CCCc1ccccc1)c1ccc(Cl)c(C#N)n1 111217909 GZMWHVPSLQABRX-UHFFFAOYSA-N 285.778 3.676 30 20 CHED N#Cc1ccc(OCCSCC2CCCC2)cc1 62836049 DWEBJCDRNXJBQA-UHFFFAOYSA-N 261.390 3.860 30 20 CHED C=CCOc1ccccc1CNc1nc2ccccc2[nH]1 301899763 YKCJRKUOZPOIBW-UHFFFAOYSA-N 279.343 3.740 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)CC2CCC2)n1 177756305 QCMFCLHLXGTMMY-NSHDSACASA-N 262.378 3.633 30 20 CHED C=C(C)CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1 122969663 HQZUYQGLSZEVQE-ONEGZZNKSA-N 270.159 3.699 30 20 CHED C[C@@H]1SCCN(CCCCC(C)(C)C#N)[C@H]1C 300121943 ZHCHUIORZLBLQB-STQMWFEESA-N 254.443 3.532 30 20 CHED Cc1ccc(-c2nc(C)c([C@H](C)NCC#N)s2)cc1 184543751 MLJVRRGMCOTOBM-NSHDSACASA-N 271.389 3.601 30 20 CHED C[C@@H](c1ccccc1)N(C)c1ccc(C#N)cc1[N+](=O)[O-] 301064380 OIEVURQDTHCDHF-LBPRGKRZSA-N 281.315 3.664 30 20 CHED CCC(CC)CN(CCC#N)Cc1nccn1C(C)C 173549830 BPCFBLCVRFRCMH-UHFFFAOYSA-N 276.428 3.616 30 20 CHED C=CCNc1nnc(S[C@H](C#N)C2CCCCC2)s1 115184716 VQBWUFNRMVSVQB-LLVKDONJSA-N 294.449 3.701 30 20 CHED N#CCCSCc1ccc(Br)cc1F 413009946 DXIGTAWCBUJLRS-UHFFFAOYSA-N 274.158 3.735 30 20 CHED N#CC1(C(=O)Nc2cccc(OC3CCCC3)c2)CCC1 129000181 RWGZIIOARRKFIE-UHFFFAOYSA-N 284.359 3.640 30 20 CHED N#CC1(CCN2CCc3sccc3C2)CCCCC1 411146439 UTZNPBRADQGJJJ-UHFFFAOYSA-N 274.433 3.970 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1cnc(C2CC2)nc1 414541436 VZEQUHIOPYUSCP-SFHVURJKSA-N 293.414 3.631 30 20 CHED C#CCOc1ccc([C@H](C)N[C@@H](C)CC(C)(C)OC)cc1 121961986 SJSWJNRSHGWALM-GJZGRUSLSA-N 289.419 3.553 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ccc(C#N)cc1 301289635 OGRWRWHKXJNDEZ-GOEBONIOSA-N 272.392 3.811 30 20 CHED COc1ccc([C@H](C)N(C)Cc2ccc(C#N)cc2F)cc1 30002574 KLQXSSWINVZCFA-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED CCc1c(C)sc(NC(=O)[C@H](C)C(F)(F)F)c1C#N 74729459 KKEGOAKNKAGGQQ-LURJTMIESA-N 290.310 3.628 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cc(C#N)ccc1C 183067152 PINRTKPUWJHEEX-CYBMUJFWSA-N 271.364 3.733 30 20 CHED N#Cc1cnccc1/C=C/c1cc(F)cc(Cl)c1 504720548 JMEIWFCFVQWSDL-OWOJBTEDSA-N 258.683 3.916 30 20 CHED COc1ccc(C#N)cc1NCc1cc(C)sc1C 354859071 YAYJJOHEDIPVQN-UHFFFAOYSA-N 272.373 3.857 30 20 CHED C=CCC[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 417358736 FVWCELVUWXMWHO-GUYCJALGSA-N 254.377 3.880 30 20 CHED CCSCC[C@H](C)N(C)Cc1cccc(C#N)c1 72900553 IUVRJZUJSXOOKC-ZDUSSCGKSA-N 262.422 3.522 30 20 CHED COc1ccc(Cl)cc1[C@H](CC(C)C)NCCC#N 411469254 LNHSLTKEAPNLEX-AWEZNQCLSA-N 280.799 3.939 30 20 CHED CCCCCC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416104413 JKIDLXHMHRHBNH-INIZCTEOSA-N 270.376 3.632 30 20 CHED N#Cc1ccnc(SCc2cc(F)cc(F)c2)c1 188187943 ZGHYZXJJNABLJO-UHFFFAOYSA-N 262.284 3.524 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)CC(F)F 412845764 VYSMRYTWPGTCOG-TZMCWYRMSA-N 281.346 3.581 30 20 CHED CC[C@@H](C)CC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 189983230 QEIRBNNFHHWDKR-KGLIPLIRSA-N 272.392 3.904 30 20 CHED CC[C@H](CC#N)NC(=O)[C@H](CC)CC1CCCCC1 183796900 BGAKMUFWPGUHAY-HUUCEWRRSA-N 264.413 3.791 30 20 CHED N#CCCN(CCC1(C#N)CCCCC1)Cc1ccccn1 411335531 QZFQPPNNUGRPCH-UHFFFAOYSA-N 296.418 3.661 30 20 CHED C=CCCCCNCc1c[nH]nc1-c1cccs1 364192608 ZZEUMRFMVKWVBC-UHFFFAOYSA-N 261.394 3.584 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@H](CC(C)C)C1 188513787 IPSCQCQHTPLMPD-GDBMZVCRSA-N 251.414 3.873 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1cccc2ccc(OC)cc12 410118364 HPNNMVFGGMAJEQ-MRXNPFEDSA-N 297.398 3.862 30 20 CHED C[C@H](NCc1ccc2c(c1)CCC2)c1ccc(C#N)cc1 70498528 BEYSIMSLNHNJFZ-AWEZNQCLSA-N 276.383 3.898 30 20 CHED C=CCC[C@H](CCC)NCc1nnc(C2CC2)s1 414320840 CXBZGBQSVZTDMN-LBPRGKRZSA-N 265.426 3.640 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccc(O)cc2F)cc1 181114696 XRGBVMQYXYIISE-UHFFFAOYSA-N 298.317 3.585 30 20 CHED C[C@@H](/N=C/c1c(O)ccc2ccccc12)C(=O)OC(C)(C)C 121541948 GQINAICYVZCXKR-ZGXHQARYSA-N 299.370 3.695 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(C)cc1Cl 410141218 FMOGDCKEFMOGIL-LLVKDONJSA-N 251.757 3.733 30 20 CHED C=CCCCCNC(=O)c1nsc2ccc(C)cc12 500762692 HUTBSMXQDVZXSL-UHFFFAOYSA-N 274.389 3.691 30 20 CHED CC#CCCCC(=O)NC1(c2ccc(F)cc2)CCCC1 185498055 AYWCZOZRNUEBFE-UHFFFAOYSA-N 287.378 3.905 30 20 CHED CC#CCCCC(=O)N(C)c1cccc(SC)c1 185404213 IEBWVGYCTLRLNO-UHFFFAOYSA-N 261.390 3.565 30 20 CHED CCC(CC)[C@H](C)C(=O)N1CCc2cc(C#N)ccc21 416020626 ZQYVYHOFVBGNAF-LBPRGKRZSA-N 270.376 3.520 30 20 CHED C=CCCC(=O)Nc1ccc(Cl)c(SC)c1 413944864 LKGOPINRCNWUIE-UHFFFAOYSA-N 255.770 3.967 30 20 CHED CC#CCN[C@@H](CC)c1ccc(Br)cc1 160558044 GPLHQWUKXPNMGP-ZDUSSCGKSA-N 266.182 3.513 30 20 CHED CC(C)(C)c1csc(C/N=C(/O)N[C@H]2C=CCCC2)n1 329793370 AZOHGCNJPHFPFD-NSHDSACASA-N 293.436 3.553 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCc2ccsc2)n1 613411548 GOFKHXUMIZHEPP-UHFFFAOYSA-N 271.389 3.924 30 20 CHED CC(C)N(C)c1ccc(/C=C/C(=O)c2ccc(F)cc2)cn1 191208995 HZJGKSYZPZCZBV-ONNFQVAWSA-N 298.361 3.961 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC([C@@H]2CCCO2)CC1 190048419 ZRTBQQMVRACQLB-KDOFPFPSSA-N 284.403 3.510 30 20 CHED Cc1cnc(N=C(O)C2C3CC4CC(C3)CC2C4)o1 329954124 OFBWBBVSUBECTP-UHFFFAOYSA-N 260.337 3.643 30 20 CHED CCC[C@H](Cc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 424318639 DCXJDYKSLHHGRR-GVDBMIGSSA-N 256.393 3.680 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 425106054 GFQNXGUDXZPSQS-CKEIUWERSA-N 284.403 3.904 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 516627759 LJMCZFAYBPCZMN-QEJZJMRPSA-N 298.386 3.720 30 20 CHED Cc1ccc(O)c(CN[C@@H](CCC#N)c2ccccc2)c1 130591201 KEHMWSLFDSUBGJ-KRWDZBQOSA-N 280.371 3.835 30 20 CHED CCn1cc(N/C(O)=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1 328763781 OLXQSEXHXASFPY-BFHYXJOUSA-N 290.411 3.588 30 20 CHED C#CCCCC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 192343979 AEKPZJGRHBCDDW-UHFFFAOYSA-N 269.388 3.598 30 20 CHED OC(=Nc1scnc1C1CC1)c1ncoc1C1CC1 328940973 KWZCYLOUOXJUQI-UHFFFAOYSA-N 275.333 3.522 30 20 CHED CC(C)[C@H](CCc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 424967602 ROFDASOMLWMHLU-KSZLIROESA-N 298.430 3.700 30 20 CHED CC(=O)Nc1cccc(NCc2ccc(C#N)c(F)c2)c1C 190332931 BREGEMZFPFWCDV-UHFFFAOYSA-N 297.333 3.576 30 20 CHED CCSc1cccc(NC(=O)c2cc(C#N)cs2)c1 84111473 WFDJYOYXHHAFCA-UHFFFAOYSA-N 288.397 3.984 30 20 CHED CC1CCC(CNc2c(C#N)nnc3ccccc23)CC1 85920489 RVQQUKKMQUFMJP-UHFFFAOYSA-N 280.375 3.740 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC(F)(F)C2)cc1 335754709 HISJCBMKHZUVPT-NSHDSACASA-N 292.329 3.862 30 20 CHED N#Cc1ccsc1C(=O)N1CCCC12CCCCC2 334192649 IVAJIAHJESALLJ-UHFFFAOYSA-N 274.389 3.559 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2ccncc2F)cc1 337951177 JVETVXYIMNYCIV-CYBMUJFWSA-N 286.350 3.636 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@H](C)CC1CCCC1 330626837 WHBWIFNPSWCERA-GFCCVEGCSA-N 285.391 3.755 30 20 CHED C=C(CNC(=O)N(C)Cc1ccc(C)cc1)c1ccccc1 512679276 XXZWVSBBIKGKOH-UHFFFAOYSA-N 294.398 3.850 30 20 CHED C=C(C)[C@H](NC[C@@H](OC)C1CC1)c1ccc(F)c(F)c1 425436079 VCBGRMRATQXCOB-CVEARBPZSA-N 281.346 3.597 30 20 CHED CC(C)(C#N)CCCN1CCCc2c(C(=N)O)cccc21 332715458 QCNPOVAJRZSKIU-UHFFFAOYSA-N 285.391 3.653 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@H]2C[C@@H]2C(F)F)c1 516438427 RNEXHQWLHOZJCS-CBAPKCEASA-N 276.208 3.643 30 20 CHED CCC[C@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 93704729 OWYORRDPOSIGBV-HOTGVXAUSA-N 286.419 3.990 30 20 CHED CNc1ccc(Cl)c(/C(O)=N/CC[C@H]2CCCCO2)c1 331232874 BESTZZOMHHCDAU-GFCCVEGCSA-N 296.798 3.646 30 20 CHED CCc1ccc([C@@H]2CCCN(CC3(C#N)CC3)C2)cc1 513378175 ZRESFGBOFVKORY-QGZVFWFLSA-N 268.404 3.732 30 20 CHED N#Cc1c(Cl)nsc1Sc1cccc(F)c1 92671027 JWAUWVTUCFQJSA-UHFFFAOYSA-N 270.741 3.958 30 20 CHED CCN(C(=O)Nc1ccccn1)[C@H](C)c1ccc(C#N)cc1 145718292 BQNZOTAYAHKUMC-CYBMUJFWSA-N 294.358 3.568 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(CC#N)cc2)C1 98024872 MVYXFWZVRYBNBD-ZFWWWQNUSA-N 285.391 3.700 30 20 CHED C[C@H](SCc1nc(C2CC2)nn1C)c1ccc(C#N)cc1 516065319 HNICBPLPECTMBT-NSHDSACASA-N 298.415 3.559 30 20 CHED CC[C@@H](NCc1ccnc(C#N)c1)c1cc(C)ccc1C 528801422 NLYCTWIPROBJNH-GOSISDBHSA-N 279.387 3.811 30 20 CHED CC(C)(C)CN(CCC#N)Cc1c[nH]nc1-c1ccccc1 93101141 NKYFXZSUMXSSAH-UHFFFAOYSA-N 296.418 3.838 30 20 CHED CC(C)N(Cc1ccc(O[C@@H](C)C#N)cc1)C1CCC1 93608306 DFDQEIZPYZFWBB-AWEZNQCLSA-N 272.392 3.740 30 20 CHED C[C@@H](CCC#N)Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1 340695878 NWWVHLMFVHNLSO-NSHDSACASA-N 298.415 3.745 30 20 CHED C=CCSCCN[C@H]1CCCc2cc(F)ccc21 341795687 BVJSJMZDYQLVCJ-HNNXBMFYSA-N 265.397 3.712 30 20 CHED CC[C@H]1CN(CCCC#N)c2cccc(Cl)c2O1 343985099 DKZFLFAECVYPJN-NSHDSACASA-N 264.756 3.621 30 20 CHED CC(C)[C@@H](NC(=O)[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 439658103 KNUJGNPTSWWIOS-ZWNOBZJWSA-N 298.308 3.678 30 20 CHED CCCSCc1ccc(C#N)cc1OC(F)F 439547078 WISPKCNTVYKLMM-UHFFFAOYSA-N 257.305 3.803 30 20 CHED Cc1c(C#N)cccc1-c1nc(CC2=CCCC2)no1 345637325 AEYWZHHMXARPMH-UHFFFAOYSA-N 265.316 3.570 30 20 CHED COCc1ccc(NCc2cc(C)c(C)cc2O)cc1C#N 527760506 CPKBUOOHWSUQGX-UHFFFAOYSA-N 296.370 3.639 30 20 CHED Cc1cc2sc(C(=O)N[C@@H](C)CC#N)c(C)c2cc1C 345703842 QTVASDAZQJCNCX-NSHDSACASA-N 286.400 3.859 30 20 CHED CC[C@@H](CC#N)N[C@@H]1CCc2cc(F)c(Cl)cc21 529540922 FDIGCDBXCHVSAU-IINYFYTJSA-N 266.747 3.748 30 20 CHED C=CC[C@@H](C)Nc1ncnc2sc3c(c12)CCCC3 523942028 PKVIRTQTRYFICV-SNVBAGLBSA-N 273.405 3.947 30 20 CHED C[C@]1(F)CCN(c2cc(C#N)ccc2C(F)(F)F)C1 346254630 PGNZRICZFMELKR-LBPRGKRZSA-N 272.245 3.515 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2c(F)cccc2Cl)n1 346855468 VOYMIUBBCFGDIZ-UHFFFAOYSA-N 289.741 3.691 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCc2c(F)ccc(F)c21 435673240 MYNBGAZHVQUXRN-JGFGOQIWSA-N 293.357 3.523 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](CC)CCCC 437500310 UVCIUNDGOUBDFE-ZOBUZTSGSA-N 281.440 3.690 30 20 CHED CC(C)C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 437582607 YVJAPIXKEQXANX-INIZCTEOSA-N 259.368 3.545 30 20 CHED C=C[C@H](CC(=O)Nc1cnc(C)s1)c1ccccc1 340303892 RNWGLOMGNYVHTN-GFCCVEGCSA-N 272.373 3.750 30 20 CHED C[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 247484941 GEGMCAVMTIHCBI-DVVUODLYSA-N 297.185 3.515 30 20 CHED COc1ccc([C@H](NCC2(CC#N)CC2)C(C)C)cc1 430746517 HTGWVUGBUGQIAM-MRXNPFEDSA-N 272.392 3.676 30 20 CHED N#Cc1ccnc(Oc2cccc(-n3ccnc3)c2)c1Cl 342409454 DJQBXVFAYVGXSD-UHFFFAOYSA-N 296.717 3.585 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCC(CC)(CC)CC1 438423151 DFDFTUSDXYVDMW-INIZCTEOSA-N 281.440 3.644 30 20 CHED COc1cccc(/C=C\C(=O)c2sccc2C)c1 255662470 MNOLYBZEDSPLTP-SREVYHEPSA-N 258.342 3.961 30 20 CHED C[C@H](N[C@H](C#N)Cc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 604553118 LBVHRGKCEYUZRH-PEJOBZMASA-N 268.404 3.536 30 20 CHED CC(=O)Nc1ccc(/C=C\C(=O)C2CCCCC2)cc1 255769415 JRASNDCEHPOQPH-XFXZXTDPSA-N 271.360 3.808 30 20 CHED CC(C)[C@H](C(=O)N1CCC(CCC#N)CC1)c1ccccc1 521049381 UUAISGSUQVGRAL-SFHVURJKSA-N 298.430 3.969 30 20 CHED N#CC1(c2nc(CCCc3ccsc3)no2)CC2(CC2)C1 601366908 JIRBWHJWZVTJRD-UHFFFAOYSA-N 299.399 3.642 30 20 CHED N#Cc1cccc(C#N)c1N[C@@H]1CC[C@H]2CCC[C@H]2C1 436389205 LSMZNDXDBJYHJP-DVOMOZLQSA-N 265.360 3.811 30 20 CHED C[C@@H](CC(=O)N(CCC#N)Cc1ccco1)C(C)(C)C 342866971 NCGQNNQKMGUYLB-ZDUSSCGKSA-N 276.380 3.594 30 20 CHED COc1cc(/C=C2\CCCC(C)(C)C2=O)ccc1O 255380990 NKOGHPWOBYBKLJ-FMIVXFBMSA-N 260.333 3.563 30 20 CHED CCCCN(C[C@H](C)CCC#N)CC(F)(F)F 602448999 XUDALAIRYNGGOD-LLVKDONJSA-N 250.308 3.591 30 20 CHED CC/C=C\CCn1cc(CC2(C#N)CCCCC2)nn1 603224253 OJLJTYDCRDOSFG-ARJAWSKDSA-N 272.396 3.651 30 20 CHED CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(C#N)cn1 522676443 ZKUSNGWEJYIBJD-QGZVFWFLSA-N 293.370 3.567 30 20 CHED CCCN(Cc1ccc(C#N)cc1)CC1(SC)CC1 347629583 CENSTEDVTVBVEP-UHFFFAOYSA-N 274.433 3.666 30 20 CHED C=C(CC)CNC1CCN(Cc2ccc(Cl)cc2)CC1 449735170 QAMSFKUOYHBFFN-UHFFFAOYSA-N 292.854 3.860 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 449911741 CINDMWZOCDCIJG-NQBHXWOUSA-N 290.329 3.554 30 20 CHED C=C[C@@H](Cc1nc(-c2coc(C)n2)no1)c1ccccc1 347308255 YOTIPWMXGKLSQW-LBPRGKRZSA-N 281.315 3.545 30 20 CHED CCCC(=O)N(CCC)c1cc(Cl)ccc1C#N 609285977 ILUGMWZLDWEBHF-UHFFFAOYSA-N 264.756 3.755 30 20 CHED N#Cc1cc(Cl)ccc1SCCO[C@@H]1CCCCO1 601914189 ULHIZUKZZFEMGA-CQSZACIVSA-N 297.807 3.847 30 20 CHED C=CC[C@H]1N(C(=O)c2cccc3[nH]ncc23)CCCC1(C)C 444627875 BJXPFDAADIPELP-MRXNPFEDSA-N 297.402 3.770 30 20 CHED C[C@H]1CCN(Cc2cccc(C#N)n2)[C@H](c2ccco2)C1 602482707 QCBHJYNAAAUQHC-BBRMVZONSA-N 281.359 3.519 30 20 CHED Cc1ncc(Br)cc1N[C@H]1CCC[C@@H](C#N)C1 449526663 XDBCHIMTHZJZFH-PWSUYJOCSA-N 294.196 3.647 30 20 CHED C=CCC1(C(=O)N2CCO[C@H](c3ccccc3)C2)CCCC1 449257434 LVPFBOLDDFWTBP-KRWDZBQOSA-N 299.414 3.723 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cccc(C(F)(F)F)c1 449549409 XTJWXQFEYYGAAE-KGLIPLIRSA-N 285.309 3.529 30 20 CHED Cn1c(S[C@H](C#N)Cc2ccccc2)nc2ccccc21 603994690 GIXULDQKJHNLKG-AWEZNQCLSA-N 293.395 3.800 30 20 CHED Cc1ccsc1CCCC(=O)N(CC#N)c1ccccc1 440052917 QGBBPBIEGGKXCZ-UHFFFAOYSA-N 298.411 3.936 30 20 CHED N#CCC[C@H](Nc1nccc(C(F)F)n1)c1ccccc1 359589587 NALRMDUDKYVANX-LBPRGKRZSA-N 288.301 3.871 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H]2CCC[C@H]21 358804593 JPDJSFUGRYIGPE-UKRRQHHQSA-N 286.423 3.501 30 20 CHED CN(CCCc1ccccc1)Cc1ccc(F)c(C#N)c1 534600647 LYLUHIZLAIBBPO-UHFFFAOYSA-N 282.362 3.762 30 20 CHED C=CCC(C)(C)CNC(=O)c1csc(C(C)C)n1 352488362 PBERVTWNTOWZHO-UHFFFAOYSA-N 266.410 3.599 30 20 CHED C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[C@H](C)C1 444142197 KGVOOEAVLXZWAX-RDJZCZTQSA-N 286.419 3.615 30 20 CHED CCN(CC1(CC#N)CC1)[C@H](C)c1ccc(F)cc1 602762323 GHVOBKYUMIEBQE-CYBMUJFWSA-N 260.356 3.902 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc(N2CCCC2=O)c1 268194007 XEUHFBMMHLRCGA-UHFFFAOYSA-N 298.386 3.520 30 20 CHED C=CCN(Cc1csc(-c2ccc(C)o2)n1)C1CC1 357552121 KIJLVIXOMIITLC-UHFFFAOYSA-N 274.389 3.862 30 20 CHED N#C[C@@H]1CCC[C@H](NC2(c3ccc(F)cc3)CCC2)C1 618574253 VJUHWELXKXENSU-CJNGLKHVSA-N 272.367 3.877 30 20 CHED C[C@@H](CN(C)C(=O)c1ccc(C#N)s1)C1CCCCC1 530041540 ZFZFDEFDCQJQKH-LBPRGKRZSA-N 290.432 3.908 30 20 CHED C=CCN(Cc1nnc(-c2cccc(Cl)c2)o1)C1CC1 357556997 XHMSFFIYRCJVNK-UHFFFAOYSA-N 289.766 3.540 30 20 CHED CCCCS[C@@H](C)C(=O)Nc1ccc(F)cc1C#N 267547954 FGSOKOYLYHLFLR-JTQLQIEISA-N 280.368 3.558 30 20 CHED C=CCOc1cccc(NC(=O)c2occ3c2CCC3)c1 350067673 BLSNGQAXIXOGMC-UHFFFAOYSA-N 283.327 3.585 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCCOC1 531765410 VXHUOIUBHQSDDM-GFCCVEGCSA-N 285.840 3.816 30 20 CHED C=CCCOCCCCc1nc([C@H]2CCCCS2)no1 357575078 ZCIWRDVOEUBMDJ-CYBMUJFWSA-N 296.436 3.943 30 20 CHED C=CCC(CC=C)C(=O)NCc1coc2ccccc12 352375176 RKLYBAAFCLZVTG-UHFFFAOYSA-N 269.344 3.817 30 20 CHED C[C@H](Nc1nccc2occc12)c1cccc(C#N)c1 610340241 GOYYOXSMFZYPMS-NSHDSACASA-N 263.300 3.873 30 20 CHED C=C(CC)CSCC(=O)N(C1CCCC1)C1CC1 358638093 URZUGFCAVCMYMH-UHFFFAOYSA-N 267.438 3.619 30 20 CHED N#CCC[C@H](C#N)CN1CC[C@@H]1c1ccc(Cl)cc1 267168912 HNVZPSAVMARHJA-IUODEOHRSA-N 273.767 3.530 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCNc2ccccc2C)C1 617787076 HDJTTWGIXDEQPU-INIZCTEOSA-N 286.419 3.612 30 20 CHED CCCCn1ncc(N[C@H]2CC[C@@H](C#N)C2)c1C(C)C 442857036 DWMZUKDVCXZQRS-KGLIPLIRSA-N 274.412 3.911 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(F)cc2C#N)C1(C)C 610577737 CXVKYXXDUUKDCW-UKRRQHHQSA-N 286.350 3.874 30 20 CHED CCSCc1cccc(NC(=O)NCC(C)(C)C#N)c1 611621417 USIWFUCRMFHWNQ-UHFFFAOYSA-N 291.420 3.611 30 20 CHED C=C(CC)CNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 539095701 JOUWTVAKUIAJGM-HZPDHXFCSA-N 288.435 3.674 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1cccc(C2CC2)c1 452185668 ADZPUOUJSKHTER-GFCCVEGCSA-N 257.377 3.953 30 20 CHED CC(C)N(CCS[C@@H]1CC[C@@H](C#N)C1)C(C)C 450898175 BBRWRMJWGXQIEP-ZIAGYGMSSA-N 254.443 3.531 30 20 CHED C=CCC1(C(=O)Nc2scnc2C)CCCC1 450127876 STOIWQLMCWBUEM-UHFFFAOYSA-N 250.367 3.527 30 20 CHED CCSCC[C@@H](C)N(C)Cc1ccc(OCC#N)cc1 266634132 QQGBKFCRTRYSAR-CQSZACIVSA-N 292.448 3.552 30 20 CHED COC(C)(C)C[C@H](C)Nc1ncc(Cl)c(C)c1C#N 612085704 LXJVHDFXJZFHRO-VIFPVBQESA-N 281.787 3.531 30 20 CHED C=CCCc1noc([C@H](C)Oc2ccc(F)c(F)c2)n1 453247676 OGGZYSHGSKTSLX-VIFPVBQESA-N 280.274 3.606 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@H](c2cccnc2)C(C)C)c1 456966257 NHLJUVAPMOJLBW-QGZVFWFLSA-N 293.370 3.640 30 20 CHED C=CCCc1noc(/C=C(/C)c2ccccc2OC)n1 453246441 JLSHMAXZSABHDI-QXMHVHEDSA-N 270.332 3.757 30 20 CHED C=C(C)CCNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F 454783026 YEWBNTVILMYIAP-SNVBAGLBSA-N 280.334 3.619 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 454922510 WHYWPSANMYTXEC-MELADBBJSA-N 264.413 3.561 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N[C@H]3CCO[C@H](C)C3)c2c1 271350156 HETLDDSSMFFHSL-HIFRSBDPSA-N 295.386 3.703 30 20 CHED CC(C)(C#N)CNCc1c(Cl)cccc1OC(F)F 612585338 XZRMZSQTKOPFLA-UHFFFAOYSA-N 288.725 3.581 30 20 CHED C=CCOc1ccccc1C(=O)N1CC[C@H](C)C(C)(C)C1 544796939 ZRQSOMCAFSPIAO-AWEZNQCLSA-N 287.403 3.760 30 20 CHED C=CCCCCNCc1ccc(Oc2cnccn2)cc1 274604700 RHKIQRAPJVLIQH-UHFFFAOYSA-N 283.375 3.715 30 20 CHED CC(C)(C#N)CCNc1ccc(CC#N)cc1Cl 453125886 JWCONEOCHUNOLZ-UHFFFAOYSA-N 261.756 3.758 30 20 CHED C#CC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 273474208 KHPHDLKQXOXBQW-KBXCAEBGSA-N 295.382 3.816 30 20 CHED Cc1ccnc(N[C@H]2CCc3cc(F)ccc32)c1C#N 273301739 GZMLKDKBXAYZMW-HNNXBMFYSA-N 267.307 3.500 30 20 CHED C[C@H](C#N)CN[C@@H]1CCC[C@@H]1c1ccccc1Cl 545948389 IZWKHLOXLXYAOT-UXIGCNINSA-N 262.784 3.725 30 20 CHED CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 453331742 AFCVZSOQUBRHJP-UGFHNGPFSA-N 260.356 3.640 30 20 CHED C=CCCO[C@H](C)c1nc(-c2ccc(C)c(OC)c2)no1 546984444 ZCOLGOBHOLOCEZ-GFCCVEGCSA-N 288.347 3.707 30 20 CHED C=CCN(C(=O)c1c(C2CC2)noc1C)c1ccccc1 459928926 GVFHMISYYDSEJV-UHFFFAOYSA-N 282.343 3.693 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCC1CC1 360657378 OEBOPTJJLFZKHO-KRWDZBQOSA-N 254.377 3.715 30 20 CHED C=C(C)CCNC(=O)CCCCOc1cccc(C)c1 452723676 OKSUMKLEBZOCIM-UHFFFAOYSA-N 275.392 3.627 30 20 CHED CC(C)=CCC[C@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 452540902 KKGNXFFPOVLTCC-YOEHRIQHSA-N 274.408 3.712 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(Cc3ccccc3)CC2)C1 278509663 BGLNNZNBTNBSBA-MSOLQXFVSA-N 268.404 3.633 30 20 CHED CC[C@H](NCc1ccccc1COC)c1ccc(C#N)cc1 278350961 YZVLZYXIOTXAJK-IBGZPJMESA-N 294.398 3.946 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H](CC)CC(F)(F)F 544853596 FYXXMVIZSCAWNN-WDEREUQCSA-N 280.334 3.761 30 20 CHED C=CCN(C(=O)[C@H]1SCCc2sccc21)C(C)(C)C 622944348 OGYWSJWNZXYNAK-ZDUSSCGKSA-N 295.473 3.892 30 20 CHED C=CC[C@H](CC)NC(=O)CCOc1cc(C)ccc1C 466534770 SRRKGGQBYPJDLJ-HNNXBMFYSA-N 275.392 3.543 30 20 CHED N#Cc1ccc(S[C@H]2CC[C@H](C#N)C2)c(Cl)c1 278642202 VISLJPRIENDTFW-ONGXEEELSA-N 262.765 3.996 30 20 CHED C=CCCN(C)C(=O)NCc1ccc(C)cc1OCCC 466775088 HEBLJHUZLHEDKU-UHFFFAOYSA-N 290.407 3.501 30 20 CHED COc1ccc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C#N 542052466 QRPUFQKPCMUZRM-JQFCIGGWSA-N 284.403 3.577 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cc(F)c(OC(C)C)c(F)c1 541467125 VAYKQNUGRFXSRG-SNVBAGLBSA-N 298.333 3.838 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NCCCc2cccs2)c1 545222131 WFIZXEXSTSQOIR-UHFFFAOYSA-N 287.344 3.573 30 20 CHED Cc1ccccc1O[C@@H](C)CNc1ccc(F)cc1C#N 463084322 JKDAANNCTLPQKJ-ZDUSSCGKSA-N 284.334 3.885 30 20 CHED C=CC[C@H](C(=O)NCC1CC(C)(C)C1)c1ccccc1 548715510 KMQWYYYHZLHBJY-INIZCTEOSA-N 271.404 3.899 30 20 CHED CN(CCc1cccs1)c1c(Cl)cccc1C#N 462952405 VHMIUTBBDAQYPJ-UHFFFAOYSA-N 276.792 3.952 30 20 CHED CC1(C)CN(C(=O)NCCCCC#N)[C@H]1c1cccs1 287373100 KTEMLZNRNJKFFY-ZDUSSCGKSA-N 291.420 3.534 30 20 CHED CCCC[C@H](C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 282350705 AETJKHRBEPVMPW-STQMWFEESA-N 258.365 3.562 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1CC 460388768 RFBSRZUGBIPHLN-KBPBESRZSA-N 276.428 3.747 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@](C)(c2ccccc2)CC1 286093247 UBMPOFKWQUSREQ-IBGZPJMESA-N 298.430 3.897 30 20 CHED Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1CC#N 559244823 ACZQDBXPALFUAG-ZIAGYGMSSA-N 296.395 3.865 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)Oc2ccccc21 467533375 VIWHTHVXMMATKB-ZDUSSCGKSA-N 271.360 3.569 30 20 CHED CC(C)c1scnc1C(=O)N[C@H](C)c1ccc(C#N)cc1 289487573 ORFOFQWJRNFNEW-LLVKDONJSA-N 299.399 3.629 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cc(F)c2ccccc2c1 555658765 FAQPCNLIAINVID-KRWDZBQOSA-N 284.334 3.647 30 20 CHED C=CCCN(C)C(=O)C[C@@H](C)c1ccc(CC)cc1 466637033 WLMRKGJNVLRLLB-CQSZACIVSA-N 259.393 3.777 30 20 CHED N#CC1(c2ccccc2)CCC(N[C@@H]2CCC[C@@H]2F)CC1 556258028 VPHHUVOVLAUMGL-JDEYZFBPSA-N 286.394 3.871 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1ccc(C#N)o1 467549780 CRGOEOOVJHLART-GDBMZVCRSA-N 280.371 3.919 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1ccccc1Cl)C(C)C 464759370 XOHFSJJNVPRPTR-SMDDNHRTSA-N 280.799 3.911 30 20 CHED N#Cc1ccc(N2CC[C@@H](CC3CC3)C2)cc1Cl 558989939 DWJYQVVWJBDERP-LBPRGKRZSA-N 260.768 3.838 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 474570907 UYQFNOFXTZEVOH-UXIGCNINSA-N 292.810 3.850 30 20 CHED C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccsc1 800889525 QAWHIZSMDGPRQU-AWEZNQCLSA-N 299.443 3.949 30 20 CHED N#Cc1cccc(CNc2ncc(C3CCOCC3)s2)c1 296218065 ZRWJQWDUWBOFHB-UHFFFAOYSA-N 299.399 3.521 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OC2CCC2)cc1Cl 479239004 DTUTXPXFGVQDOH-UHFFFAOYSA-N 293.794 3.919 30 20 CHED C[C@@H](NC(=O)CCCC#N)c1cccc(C(F)(F)F)c1 291034085 XMBVVFITJQHQSG-SNVBAGLBSA-N 284.281 3.576 30 20 CHED CCOC1(C)CCN([C@@H](C)c2ccc(C#N)cc2)CC1 298271827 NWAOXPBAOKWSSR-AWEZNQCLSA-N 272.392 3.510 30 20 CHED Cc1csc(NC(=O)c2ccc(C(C)C)cn2)c1C#N 292327225 OADKHIHFECDMJF-UHFFFAOYSA-N 285.372 3.699 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1cccc(Cl)c1 294274235 GYYAVPSIFVSXKX-UHFFFAOYSA-N 251.757 3.511 30 20 CHED CN(C(=O)c1cccc(CC#N)c1)C1CCCCCCC1 299474712 CZIHJDRZGLMYPK-UHFFFAOYSA-N 284.403 3.938 30 20 CHED Cc1ccc(C=NNc2ccccc2)c(-c2ccnn2C)c1 802704584 VTAQAZZIAPOAEL-UHFFFAOYSA-N 290.370 3.842 30 20 CHED Cc1cc(C)cc(C2=CCN(C(=O)CCCC#N)CC2)c1 291960723 RLBGCLWUUUPTCX-UHFFFAOYSA-N 282.387 3.613 30 20 CHED CC(C)N(C(=O)CC(C)(C)C#N)[C@H](C)c1ccccc1 297831856 LUSINZMJJIFIES-CQSZACIVSA-N 272.392 3.924 30 20 CHED C=CCOCCN1CC=C(c2ccccc2Cl)CC1 568668339 VNQMRZWGIDPSLF-UHFFFAOYSA-N 277.795 3.632 30 20 CHED C=CCCCCNC(=O)N1CCCC[C@@H]1C(C)C 474090478 SUEPJGSMRQVFNQ-CQSZACIVSA-N 252.402 3.563 30 20 CHED C=CCCCCCCNC(=O)[C@](C)(OC)c1ccccc1 805219949 BRONWRGFRXGOOG-GOSISDBHSA-N 289.419 3.801 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@@H]1c1cccc(C)c1C 472590483 NIYUZVWPLPGDMT-SJLPKXTDSA-N 273.420 3.767 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Sc1ccc(C)cc1 479213120 IPJWBHQGXCUKFT-CYBMUJFWSA-N 263.406 3.510 30 20 CHED CC(C)(O)CCSCC#Cc1cccc(Cl)c1 568234062 CLGNXBRILOPRTE-UHFFFAOYSA-N 268.809 3.586 30 20 CHED C=C(C)[C@@H](N[C@H]1CCCOCC1)c1ccc(F)c(F)c1 480692320 ABJLRSDOHJFYAE-XJKSGUPXSA-N 281.346 3.741 30 20 CHED N#Cc1ccc(CNC[C@@H](c2ccccc2)C2CC2)cc1 567339182 GJGZJCCPKVJSRK-IBGZPJMESA-N 276.383 3.842 30 20 CHED C=CCCS(=O)(=O)N(CCC)[C@@H](CC)c1ccccc1 480957902 WSSKFSICHOAYPE-INIZCTEOSA-N 295.448 3.756 30 20 CHED Fc1cc(F)c(NN=Cc2ccc3oncc3c2)cc1F 814851535 OBISIQMNIWWDQN-UHFFFAOYSA-N 291.232 3.691 30 20 CHED CCCCCCCCC/C=C\C(=O)N[C@]1(C)CCOC1=O 813295168 UCNYVBWMCLHOGE-WFTPILKQSA-N 295.423 3.505 30 20 CHED CC(=NNc1nccc2sccc12)c1cccc(CO)c1 814809341 XUHXKJZMKINPGX-UHFFFAOYSA-N 297.383 3.625 30 20 CHED C[C@@H]1CN(c2c(Cl)cccc2C#N)Cc2ccccc2O1 488742447 FJXOJKIWGULBJP-GFCCVEGCSA-N 298.773 3.999 30 20 CHED C[C@@H]1SCCC1=NNc1ccccc1Br 814792641 RPRXCKJERLBQIA-QMMMGPOBSA-N 285.210 3.742 30 20 CHED C=C(C)[C@H](NC1CC(OCC)C1)c1ccc(F)c(F)c1 480677018 PKNQXAXTBSGYKB-ZUEPYMLJSA-N 281.346 3.739 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(C)c1Cl 489863178 ZHSAKPPCXVIYHC-UHFFFAOYSA-N 265.784 3.981 30 20 CHED Cc1cc(F)c(C=NN[C@@H](C)C(C)(C)C)c(F)c1 819813146 KXAOOROSIGVVNR-JTQLQIEISA-N 254.324 3.631 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)[C@H](CC(C)C)c1ccccc1 484295116 YHYWKESAORGYDP-DOTOQJQBSA-N 286.419 3.824 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCC(=O)c1ccc(C)s1 488863357 XWYNFPNBWXGENM-ZDUSSCGKSA-N 291.416 3.587 30 20 CHED C[C@@H]1CCC[C@H](CC(=O)N2CCC(CCC#N)CC2)C1 570723700 UTPQCDDQLCRAPZ-ZBFHGGJFSA-N 276.424 3.745 30 20 CHED CSc1ccc(C=NN[C@H]2CCCC2(C)C)s1 814916743 DOHNPOILQDUEIF-NSHDSACASA-N 268.451 3.972 30 20 CHED CCC(CC)[C@@H](NC(=O)NCC1(C#N)CC1)c1ccccc1 573184564 XZSFISSDOQWXRZ-MRXNPFEDSA-N 299.418 3.767 30 20 CHED C=CCC(F)(F)C(=O)N1CCCCc2sccc21 816558728 JUXFWEGWYFWRAD-UHFFFAOYSA-N 271.332 3.629 30 20 CHED N#C[C@@H]1CC[C@H](NCc2cccc(Cl)c2Cl)C1 572693459 MSRXPWGKJKPDSM-KOLCDFICSA-N 269.175 3.775 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCCC(C)(C)CO 657886299 DRYZXALOXIHANH-GJZGRUSLSA-N 253.430 3.510 30 20 CHED CC(C)(C)[C@@H]1CC(=NNc2ccc(F)cn2)CS1 814842771 RHRVRVGCDARMOS-NSHDSACASA-N 267.373 3.540 30 20 CHED CC(C)C[C@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 578705361 UDXKNVYNFQJOEX-CQSZACIVSA-N 287.363 3.871 30 20 CHED C=C[C@H](C)NC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 486483811 DFSXXGOVDMYSCP-IMJJTQAJSA-N 272.392 3.587 30 20 CHED N#Cc1cc(N2CCC(=Cc3ccccc3F)CC2)ccn1 571708364 DOZIFPNKJAUNLQ-UHFFFAOYSA-N 293.345 3.776 30 20 CHED C=CCN(C(=O)Nc1ccc(F)c(CC)c1)C1CC1 486410163 UKSBIZGGNHNURY-UHFFFAOYSA-N 262.328 3.570 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(OCC(F)F)cc1 483592524 NFOFANGTUBGBRD-UHFFFAOYSA-N 296.317 3.536 30 20 CHED C=C(C)COC(=O)/C=C/c1ccccc1O[C@@H](C)CC 729870594 FFVROGKHKPJFLS-VNDWYCCKSA-N 274.360 3.996 30 20 CHED Cc1cc(C#N)cnc1C(=O)Nc1ccc2occ(C)c2c1 570066090 XWTRGYCPADDNMI-UHFFFAOYSA-N 291.310 3.569 30 20 CHED C#C[C@H](NC(=O)N(Cc1ccco1)C(C)C)c1ccccc1 820605389 NKMUYLNGFJEQQK-KRWDZBQOSA-N 296.370 3.574 30 20 CHED C#Cc1cccc(NC(=S)N2CCCC[C@H]2CC)c1 726434438 PMSJXZTYOQDEHH-OAHLLOKOSA-N 272.417 3.629 30 20 CHED C=CCC(CC=C)C(=O)N(CCC#N)c1ccc(F)cc1 573416555 AXQKJDJCHMPMMP-UHFFFAOYSA-N 286.350 3.841 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CCOC2(CCCC2)C1 664473774 CLIVJGLBMDSYHX-AWEZNQCLSA-N 294.439 3.522 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1ccc(C#N)cc1F)CO2 573052094 NQUVEMGFOUHKQJ-OAHLLOKOSA-N 268.291 3.551 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CC[C@H](O)c1ccccc1 823617701 KUVSTKNAZBXSFY-KXBFYZLASA-N 294.398 3.675 30 20 CHED Cc1cc(CN(CCC#N)C(C)C)ccc1Br 579378109 KZADEOHSKIIDFA-UHFFFAOYSA-N 295.224 3.882 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H]1CCN(c2ccccc2)C1 820089741 CCLIDBROTBHETQ-OAHLLOKOSA-N 287.403 3.658 30 20 CHED C=CCCOC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 729072765 YMSAAJWFKVJCKH-STQMWFEESA-N 295.176 3.672 30 20 CHED CC(=NNc1ccc(F)cc1)c1sc(C)nc1C 726738397 VRTIKGVTZTUURG-UHFFFAOYSA-N 263.341 3.735 30 20 CHED C=CCCCC[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 823683937 MQMLGDCXEHRDFE-CHWSQXEVSA-N 288.391 3.953 30 20 CHED N#CC1CCC(CNCc2ccc3[nH]ccc3c2)CC1 581379958 CNKVFDVEGNZDHO-UHFFFAOYSA-N 267.376 3.587 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(COC)cc2)C1 822995746 WNGPUQVDGWMVGR-AWEZNQCLSA-N 288.391 3.653 30 20 CHED C#CCCCCCCN[C@H](C(=O)O)c1ccc(C)c(C)c1 901846689 WPELVOYAJTVWIR-KRWDZBQOSA-N 287.403 3.602 30 20 CHED C[C@@H](Sc1nccn1C1CC1)c1ccc(C#N)cc1 735618276 MQLZGSPUPRUNIJ-LLVKDONJSA-N 269.373 3.943 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2ccc3oncc3c2)cc1 821032585 VKXFTLUJDDKKML-YCRREMRBSA-N 292.338 3.790 30 20 CHED CC(C)(C)Oc1cccc(/C=C/C(=O)c2ncco2)c1 901513717 BPPGQNXZNKPAEA-BQYQJAHWSA-N 271.316 3.748 30 20 CHED Cc1cc(Cl)ccc1NN=Cc1c(C2CC2)cnn1C 905506272 KQHYWGXLDCDRGR-UHFFFAOYSA-N 288.782 3.705 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(C2CC2)nn1CC 906771038 SCPOUUTVXIRIQX-UHFFFAOYSA-N 289.423 3.599 30 20 CHED C=CC[C@H](NC(=O)N(CC1CC1)CC1CC1)c1ccncc1 734683687 OKVDCLMRLMGUKR-KRWDZBQOSA-N 299.418 3.530 30 20 CHED Cc1nn(C)cc1C(=O)/C=C/c1ccc(C2CCC2)cc1 834417022 AZONJESKEINHOZ-DHZHZOJOSA-N 280.371 3.892 30 20 CHED CCC(C)(C)OCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 838782745 MVHFKBWKXKVGSG-AWEZNQCLSA-N 296.370 3.616 30 20 CHED CC(C)c1ccccc1/C=C1/CCn2ccnc2C1=O 901535015 LEDCTXYUMJFFDC-KAMYIIQDSA-N 266.344 3.677 30 20 CHED C=CCCNC(=O)N[C@H](CCC=C)c1ccccc1 660939989 WPAXXSPCKFROQW-OAHLLOKOSA-N 258.365 3.569 30 20 CHED C=CCCNC(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 665940727 KJMUELZXTSQTAR-GFCCVEGCSA-N 292.810 3.587 30 20 CHED Cc1ccc(F)c(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1F 839055991 OUEXRKHAJCAQMG-QWRGUYRKSA-N 279.286 3.512 30 20 CHED CCOCc1ccc(Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1 584205025 PETDQSKPIWRKOJ-UHFFFAOYSA-N 297.314 3.747 30 20 CHED CC(=NNc1ccccc1C(F)(F)F)c1nccs1 732622707 WCWNDQWHIFXYIV-UHFFFAOYSA-N 285.294 3.998 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)C(F)(F)c2ccc(F)cc2)C1 839048265 MGIGMQFYGYANFU-GXFFZTMASA-N 297.276 3.543 30 20 CHED CC(C)[C@@H](NC(=O)C#CC(C)(C)C)c1ccccc1 837322764 DOYHWQFXJFOGQO-MRXNPFEDSA-N 257.377 3.549 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)N(O)Cc1ccc(F)cc1 901372315 BYNNAHSEAPHULC-DZGCQCFKSA-N 279.355 3.760 30 20 CHED CCCc1ccc(/C=C2/CCn3ccnc3C2=O)cc1 901539697 TZKFHEGINOLMFV-QINSGFPZSA-N 266.344 3.506 30 20 CHED C[C@@H](c1ccccc1)[C@@H](C)NC(=O)CCCCCC#N 588160350 HHHPVBAMLXWGKQ-HUUCEWRRSA-N 272.392 3.769 30 20 CHED CN(C(=O)CCCCCC#N)[C@@H]1CCc2ccccc21 588274310 IGIFBEAGNGFBPO-MRXNPFEDSA-N 270.376 3.606 30 20 CHED C[C@H](NN=C(CC(C)(C)C)C1CC1)C(F)(F)F 834997786 JRADZGZDUOVLJE-QMMMGPOBSA-N 250.308 3.729 30 20 CHED Cc1ccc(C(=O)N2CC[C@H](CC(C)(C)C)C2)cc1C#N 837165527 GAJFAACKPACCQM-CQSZACIVSA-N 284.403 3.765 30 20 CHED C=CCN(Cc1cccs1)C(=O)C=C1CCCC1 917619909 VNWMMZLVJBZBFX-UHFFFAOYSA-N 261.390 3.763 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)C1CCC(F)(F)CC1 834997243 AKTLCDYLAYNFGI-QMMMGPOBSA-N 272.261 3.728 30 20 CHED CCCCCCCCNC(=O)N[C@H](C)c1cnn(CC)c1 836372423 ACLJHOBTGDHQJA-CQSZACIVSA-N 294.443 3.624 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(Cl)cc(C)c1O 834895195 XGDPLVFEHLUWLA-DFBGVHRSSA-N 295.810 3.738 30 20 CHED C#CCCCCCC(=O)Nc1ccc(OCC)cc1F 839922391 SMYYHGYQWAKINE-UHFFFAOYSA-N 277.339 3.747 30 20 CHED C=C1CN(C(=O)C/C=C/c2ccc(C(C)C)cc2)C1 912447622 HNMAZMSPZGUJSD-SNAWJCMRSA-N 255.361 3.612 30 20 CHED CC(C)(C)C#CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 837355957 KQTCFMUEOXKTJA-UHFFFAOYSA-N 285.174 3.564 30 20 CHED COc1ccccc1CC(=NNc1ccccn1)C(C)C 748244784 PYDYHIQCBPAJIB-UHFFFAOYSA-N 283.375 3.757 30 20 CHED CC(C)Oc1ccc(C=NNc2cccc(C(=O)O)c2)cc1 915935750 IDXORHAMBPEAHG-UHFFFAOYSA-N 298.342 3.618 30 20 CHED CC[C@](C)(C#N)C(=O)N(C)[C@@H](C)CSc1ccccc1 593219775 YAMMENUDRHLTLY-XJKSGUPXSA-N 290.432 3.565 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CCC(OC)CC1 918019673 SMLXGJMNMBSMAQ-OAHLLOKOSA-N 298.471 3.803 30 20 CHED C=C[C@@](C)(CCOC)COC(=O)[C@H]1CCC(C)=C(C)C1 842770842 CFMQTRGWHDNROZ-RDJZCZTQSA-N 280.408 3.895 30 20 CHED CC(=NNc1ccnc(F)c1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842530043 NQLKUASEEHEJCH-OBJOEFQTSA-N 259.328 3.611 30 20 CHED CC(C)[C@H](CC(=O)N(C1CC1)[C@@H](C)C#N)c1ccccc1 598130743 UXZWUKVLIHWQDW-YOEHRIQHSA-N 284.403 3.719 30 20 CHED CCC[C@H](OC)c1noc([C@@H](C)Cc2ccc(C#N)cc2)n1 594531223 PXFUFEKLSSPCCB-WFASDCNBSA-N 299.374 3.775 30 20 CHED COc1cccc2c1CN([C@@H](C)c1ccc(C#N)cc1)CC2 590759945 VVTCORRAGJSYKK-AWEZNQCLSA-N 292.382 3.686 30 20 CHED CC(=NNc1c(C)cccc1Cl)c1cc2n(n1)CCC2 841641800 WPKUULUQLVAXPJ-UHFFFAOYSA-N 288.782 3.627 30 20 CHED COc1ccc(C(C)=NOCCC(F)(F)F)c(C)c1 841634757 UHXPHGUKMQNKOD-UHFFFAOYSA-N 275.270 3.697 30 20 CHED COCCOc1ccc(-c2ccc(CC#N)c(C)c2)cc1 592985524 ZPVVKQOGXHNAMO-UHFFFAOYSA-N 281.355 3.753 30 20 CHED CC(C)[C@@H](C)N(C(=O)CC1(C#N)CCCCC1)C1CC1 596916739 RFNXGCCKOXIGRB-CQSZACIVSA-N 276.424 3.886 30 20 CHED C=CCC(CC=C)C(=O)N1CCSc2ccccc21 158670970 VMJLQACPUTZLAJ-UHFFFAOYSA-N 273.401 3.894 30 20 CHED Cc1cc(CNCCc2ccc(C#N)cc2)c(C)s1 594954969 IWUHNIFPVRHWLN-UHFFFAOYSA-N 270.401 3.569 30 20 CHED C[C@H](C#N)N(C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)C1CC1 598136780 JMSOOPXGBYAXHM-UWWQBHOKSA-N 296.414 3.548 30 20 CHED CCN(Cc1cc(Cl)ccc1Cl)[C@@H](C)C#N 595814306 SZCHGQRMEYGNNA-VIFPVBQESA-N 257.164 3.727 30 20 CHED Cc1cc2cc(C(=O)N3CCC[C@H](CC#N)C3)oc2cc1C 597909937 RXNGKMJGKFHIKU-CQSZACIVSA-N 296.370 3.816 30 20 CHED Cc1cccc([C@@H](NC(=O)CCCCC#N)C(F)(F)F)c1 594016196 FUMMTTDDRZDCAI-CQSZACIVSA-N 298.308 3.799 30 20 CHED C=C(Cl)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 743855764 YIVQYKYKUJMWTM-ZDUSSCGKSA-N 299.245 3.771 30 20 CHED CCSC1(CN[C@@H](CC)c2ccc(C#N)cc2)CC1 595091879 KNXYJMJSCIVKIM-HNNXBMFYSA-N 274.433 3.885 30 20 CHED C#CCN(CCC(C)(C)C#N)[C@@H]1CCc2ccccc21 741754280 MXQZXJOBWGGPMD-QGZVFWFLSA-N 266.388 3.549 30 20 CHED C=CCn1c(S[C@H](C)C(C)C)nc2ccccc2c1=O 591038036 HRBYOELTHXDFOH-GFCCVEGCSA-N 288.416 3.719 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2CCC2CCCC2)nc1 593964226 ZNQYSTQDWDUMPD-GOSISDBHSA-N 283.419 3.888 30 20 CHED CC(C)c1ccc2c(c1)CN(c1ccc(C#N)nc1)CC2 596411473 LHEMPMVOXHPFQT-UHFFFAOYSA-N 277.371 3.639 30 20 CHED CC[C@@H](C#N)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 593698221 IPSFTLCQTWLYCK-YJBOKZPZSA-N 284.403 3.507 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(F)cc1SC 843725011 OSJCZXGDIDWTSG-UHFFFAOYSA-N 275.295 3.698 30 20 CHED Cc1oc(-c2ccccc2)cc1C(=O)N(C)C1(C#N)CCC1 599152450 HFRDMALJXDYQCQ-UHFFFAOYSA-N 294.354 3.773 30 20 CHED C=C[C@H](C)ONC(=O)Nc1cc(Cl)ccc1SC 844521075 QIMZPTBGKGBYIY-QMMMGPOBSA-N 286.784 3.690 30 20 CHED CC(C)[C@@H](C#N)OC(=O)c1cc2c(F)cccc2s1 747744130 VOKSMTXELNIRJL-LLVKDONJSA-N 277.320 3.745 30 20 CHED C=CCNC(=S)N[C@H](c1ccc(CCC)cc1)C(C)C 747753168 RXRUOEBVIFRNAP-INIZCTEOSA-N 290.476 3.986 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)Cc1cc(C)no1 845263155 SJRNIXANIHAVTA-CYBMUJFWSA-N 280.412 3.638 30 20 CHED N#Cc1ccc(CNC(=O)CC(C2CCC2)C2CCC2)cc1 599022612 SIMKOEXQINCQIC-UHFFFAOYSA-N 296.414 3.781 30 20 CHED C=CCC[C@H](C)NCCC[C@@H]1CC1(Cl)Cl 846112426 ZRVSCHBJFJMWBW-WDEREUQCSA-N 250.213 3.905 30 20 CHED CC(=NNc1ccc(C#N)cc1)c1cccc(F)c1 915962050 MJNCEEMVTLDDML-UHFFFAOYSA-N 253.280 3.533 30 20 CHED C#CCCCOC(=O)c1oc2ccccc2c1CSC 919665670 YRRIGJDWLXYUJK-UHFFFAOYSA-N 288.368 3.866 30 20 CHED C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)[C@@H](C)c1ccccc1 746815359 HVBYJULAJLQNDT-LDQMOMIISA-N 298.342 3.912 30 20 CHED CSc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(C)o1 597259157 XYIOWPQIWQMQBD-BONVTDFDSA-N 292.404 3.512 30 20 CHED CCC(=NNc1ncccc1Cl)c1ccc(OC)cc1 917549050 HHXBAMYRJYJZAZ-UHFFFAOYSA-N 289.766 3.970 30 20 CHED C=CCC1(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CCCC1 598297068 VEZNKXRYXFFCKO-HNNXBMFYSA-N 296.414 3.742 30 20 CHED CC[C@H](NCCc1ccc(C#N)cc1)c1cccs1 595056104 QZFVSYNVSNFBKK-HNNXBMFYSA-N 270.401 3.903 30 20 CHED C=C[C@H](C)ON=Cc1c(C)nc2scc(C3CC3)n12 844621006 BUPPUGLHNZDHOV-VIFPVBQESA-N 275.377 3.507 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H](C)c1ccccc1Cl 917584719 IUYWEDVRVGTDCE-NSHDSACASA-N 282.840 3.783 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1CCc2c(Cl)cccc21 683788106 GWHBVGMPAPOTIE-WFASDCNBSA-N 289.806 3.937 30 20 CHED N#Cc1ccc(CNC(=O)NCC2CCCCCCC2)cc1 918013027 YCFKQTPHTLCLQJ-UHFFFAOYSA-N 299.418 3.718 30 20 CHED COc1cccc(O)c1/C=N/[C@@H]1C[C@]1(C)c1ccccc1 741465718 XYIFKFMIIFHANF-BLSACVOKSA-N 281.355 3.550 30 20 CHED N#Cc1ccc(C(=O)NC2CCC(C3CCC3)CC2)s1 598451249 RODSAVPLJGLGMI-UHFFFAOYSA-N 288.416 3.708 30 20 CHED C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(C#N)cc1F 595091686 SDABJEGGGHWAEK-VOJFVSQTSA-N 296.345 3.741 30 20 CHED CCSCC[C@@H](C)N(C)C(=O)CC1(C#N)CCCCC1 597325524 SJUHZOMGWOKNBN-CQSZACIVSA-N 296.480 3.841 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC(c2ccncc2)CC1 595457840 CEUFEZHCUAROTO-SFHVURJKSA-N 277.371 3.526 30 20 CHED C#C[C@H](C)OC(=O)c1sc(-c2ccccc2)cc1OC 744179399 BGHCRDNEYXROSV-NSHDSACASA-N 286.352 3.602 30 20 CHED Cc1cc(C(=O)/C=C\c2ccccc2C(C)C)n(C)n1 848642510 GSPZXTPNOFFSGC-KTKRTIGZSA-N 268.360 3.748 30 20 CHED C[C@@H]1CCCC[C@H]1NC(=S)Nc1cccc(CC#N)c1 840823662 OSUXBKUQMKLBEV-IUODEOHRSA-N 287.432 3.618 30 20 CHED C=C(C)[C@H](C)OC(=O)c1ccc(C(F)F)cc1F 847681791 VALLMTNXYCIGJQ-QMMMGPOBSA-N 258.239 3.885 30 20 CHED C=CCCN(C)C(=O)N[C@@H]1CCCC[C@H]1CCC 682416508 PRQRYGZVIDBQPI-ZIAGYGMSSA-N 252.402 3.563 30 20 CHED C#CCCCCNC(=O)CSc1ccc(C(C)C)cc1 758639904 VVYJWLWQHYKJIO-UHFFFAOYSA-N 289.444 3.822 30 20 CHED C[C@H]1CCCCN1N=C1CCC(C(F)(F)F)CC1 853380244 RGNYWEQDIWSCFP-VUWPPUDQSA-N 262.319 3.969 30 20 CHED Cc1cccc(NN=Cc2ccc(O)c(Cl)c2)c1 921253819 PUJDPIHBNHCZHQ-UHFFFAOYSA-N 260.724 3.800 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc2cccc(OC)c2o1 684938990 KZBMLAXJWXLJER-GFCCVEGCSA-N 273.332 3.526 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1COc2c(Cl)cccc21 925518341 OYZLMZJPCJHSKM-ZWNOBZJWSA-N 278.783 3.691 30 20 CHED C=CC(C)(C)CCOC(=O)c1cc(C(C)=O)cs1 851299533 PQLRYCXXGNISQF-UHFFFAOYSA-N 266.362 3.710 30 20 CHED CC(CCCc1cccnc1)=NN1CCCC[C@H]1C 853381682 IYCLMOIEZCOJPO-OAHLLOKOSA-N 259.397 3.655 30 20 CHED CC[C@@H](C(=O)N1CCC[C@H](C#N)C1)C1CCC(C)CC1 928217389 AHVLXDCRIXIXME-GYTBAZASSA-N 276.424 3.601 30 20 CHED C#CC[C@@H](Nc1ccc(Cl)cn1)c1ccccc1 756957057 KHBUNQBVFTZIJB-CQSZACIVSA-N 256.736 3.912 30 20 CHED N#CC1(CCCCN2Cc3ccccc3C2)CCC1 929587514 RCDZYRPMMARLBW-UHFFFAOYSA-N 254.377 3.866 30 20 CHED CC(C)OCCON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853349027 QUMNBIRQWMPDGT-NEPJUHHUSA-N 281.318 3.783 30 20 CHED C#CC(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@H](C)C1 754029283 JEHOOYRFHVBVRQ-JOQOYGCGSA-N 269.388 3.612 30 20 CHED CCCCCCCNC(=O)N(CC)Cc1ccoc1 858111906 XZUBAJIHHRJKAG-UHFFFAOYSA-N 266.385 3.782 30 20 CHED CC(CC1CC1)=NNc1nc(C(F)(F)F)cs1 756826787 GCEKZMNIJJCLSE-UHFFFAOYSA-N 263.288 3.750 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@H](C#N)C1 928220623 JOFJLQYZXGWMDD-HZPDHXFCSA-N 276.424 3.745 30 20 CHED C=CCOc1ccccc1C(=O)O[C@@H](C)CC(C)(C)C#N 851212962 XMFYSBUSQXADHA-ZDUSSCGKSA-N 287.359 3.737 30 20 CHED C[C@@H]1CCCCN1N=Cc1cnc(C2CCC2)s1 853380885 XMVKRNCPMUNKMT-LLVKDONJSA-N 263.410 3.619 30 20 CHED C#CCCCC(=O)N1CCC(C2CCCCC2)CC1 757853943 LOGQQJOJNFBWOV-UHFFFAOYSA-N 261.409 3.609 30 20 CHED N#C[C@H](c1ccccc1)[C@H]1CCCN1C/C=C\Cl 752074501 CUQNXCGLDZDKGY-LGIYYPAKSA-N 260.768 3.511 30 20 CHED COc1cccc(O)c1/C=N/Cc1ccc(F)c(Cl)c1 750950297 SLPJIFJTNQMICC-GIJQJNRQSA-N 293.725 3.812 30 20 CHED CCc1ncc(C=NNc2nccc3sccc23)s1 752163668 AZKFQJCVTRXJCY-UHFFFAOYSA-N 288.401 3.761 30 20 CHED C/C(=C/c1cccc(Cl)c1)C(=O)OCC1(CC#N)CC1 759386231 ICILUEUIEFKLRV-XFXZXTDPSA-N 289.762 3.980 30 20 CHED Cn1c(NN=C[C@H]2CCc3ccccc32)nc2ccccc21 755647732 DDHJWGDCFIVFRA-CQSZACIVSA-N 290.370 3.701 30 20 CHED C#CC[C@@H](NC(=O)c1cnc(CCC)s1)c1ccccc1 757598079 IARBEQZWRAIZSD-CQSZACIVSA-N 298.411 3.590 30 20 CHED C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H](C#N)C1 932159388 ZHDYTCULAABYGR-GHMZBOCLSA-N 266.747 3.776 30 20 CHED C#C[C@@H](CC)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 754378987 FIUOSVCQINIASQ-RISCZKNCSA-N 297.320 3.727 30 20 CHED CC[C@H](N[C@@H](C)CCC#N)c1cc(F)ccc1OC 932475098 RZVCBFCHOVFWNA-FZMZJTMJSA-N 264.344 3.567 30 20 CHED Cn1ccc(C=NNc2cc(C(F)(F)F)ccc2F)c1 753947635 RPQKTZSXBFLGHX-UHFFFAOYSA-N 285.244 3.629 30 20 CHED C[C@@H](C=NNc1ccccn1)c1cccc(Cl)c1 763345905 MSXCTPQHSAVAOT-NSHDSACASA-N 259.740 3.936 30 20 CHED CC1(C)CCC(C=NNC(=S)Nc2ccccn2)CC1 767805317 BENBEOUSICPEMF-UHFFFAOYSA-N 290.436 3.570 30 20 CHED C/C=C(/C=C/C(=O)N[C@@H](C)c1cccc(C#N)c1)CC 765731910 SUGKKBOGDTYXGJ-LPKQVGIASA-N 268.360 3.648 30 20 CHED C#CCCCCCC(=O)N1Cc2ccccc2C[C@H]1CC 767139196 GGABNBKXOQUOLW-GOSISDBHSA-N 283.415 3.934 30 20 CHED CC(C)[C@H](C#N)OC(=O)Cc1cc(Cl)cc(Cl)c1 860519122 WSFGNNACUJSCID-LBPRGKRZSA-N 286.158 3.627 30 20 CHED CCC(C#N)(CC)C(=O)OCCCOc1ccccc1C 860197834 MLRITDLDWBGGFM-UHFFFAOYSA-N 289.375 3.637 30 20 CHED C#CCN(CC)C(=O)c1sccc1-c1ccc(F)cc1 764210608 RHPPDEIZRMAZIE-UHFFFAOYSA-N 287.359 3.650 30 20 CHED CC(C)CN(CCC#N)Cc1cc2ccccc2o1 767898071 DAUJQVUSRXQUCO-UHFFFAOYSA-N 256.349 3.804 30 20 CHED CCC(CCc1ccccc1)=NNc1cc(C)ncn1 863093362 JFGGIKLWCKPTHK-UHFFFAOYSA-N 268.364 3.596 30 20 CHED C[C@@H](C=NNc1nc2ccccc2s1)CCC#N 765993649 YGNHTHZRYBYRFS-SNVBAGLBSA-N 258.350 3.634 30 20 CHED CC(CCc1cccc(F)c1)=NNCc1ccc(C#N)cc1 769812928 ASNOGXQTXVZQJR-UHFFFAOYSA-N 295.361 3.796 30 20 CHED CC(C)(C)c1ccc(/C=C\C(=O)OC2(C#N)CCC2)cc1 762091595 NDENXBWDGGEOCG-YFHOEESVSA-N 283.371 3.987 30 20 CHED C[C@@H](Nc1cc(C#N)ncn1)c1csc2ccccc12 764823087 LXNKBHXUHXXHCX-SNVBAGLBSA-N 280.356 3.736 30 20 CHED C#CC[C@H](CCOC)NC1CC(c2ccc(Cl)cc2)C1 862547316 AXKBNCIYCJLNGV-ARWYELJZSA-N 291.822 3.604 30 20 CHED C=CCCOCCCCc1nc(C(C)(C)CC)no1 867173227 AZTZQSCKRLMOAJ-UHFFFAOYSA-N 266.385 3.673 30 20 CHED C#C[C@@H](CC)OC(=O)c1ccc(C)c(Oc2ccncc2)c1 768062668 MVNVJMZCQKQTIP-HNNXBMFYSA-N 295.338 3.751 30 20 CHED C[C@H]1C[C@@H](NCc2cccc(OCC#N)c2)c2ccccc21 1117502853 CBMXFNUBPSXZKW-IFXJQAMLSA-N 292.382 3.927 30 20 CHED C=CCC[C@@H](NC[C@](C)(O)c1ccccc1Cl)C1CC1 765808886 LAWHOKAGDKGWGD-SJORKVTESA-N 293.838 3.882 30 20 CHED COc1ccsc1/C=C1/COc2c(F)cccc2C1=O 764431690 DSVGBBICYSZVBM-CLFYSBASSA-N 290.315 3.555 30 20 CHED C#CCCN[C@@H](COc1ccccc1F)c1ccccc1 775181558 SIFQHDJDOMBEPV-KRWDZBQOSA-N 283.346 3.559 30 20 CHED C[C@H]1CC/C(=C/C(=O)OCc2ccc(CC#N)cc2)C1 776113739 SGIXONIDONFXHJ-RERGGYADSA-N 269.344 3.542 30 20 CHED CCCCCCCCN1CCSC2(CCOCC2)C1 770684528 FVPDIWDYTJNFIQ-UHFFFAOYSA-N 285.497 3.945 30 20 CHED Cc1ccc(C(=O)OCc2ccc(CC#N)cc2)c(F)c1 776114166 XJXADJQBLGVDGY-UHFFFAOYSA-N 283.302 3.557 30 20 CHED C=C(Cl)CNC(=O)C1(Cc2ccc(Cl)cc2)CC1 770755611 LEYGLOCPVJWZIS-UHFFFAOYSA-N 284.186 3.531 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNCCOC(C)C 778546905 ATNGBYYVGHAXFV-UHFFFAOYSA-N 276.424 3.745 30 20 CHED C=CCOc1cccnc1C(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C 775487919 IVXJAWCEIXBSHS-HZSPNIEDSA-N 289.375 3.628 30 20 CHED C=C[C@H](COC)N[C@@H]1C[C@@H](C(C)C)c2ccccc21 1116811418 RGKGVMXFFWFBCW-XOKHGSTOSA-N 259.393 3.662 30 20 CHED COc1ccc2[nH]cc(C=NOC3CCCCC3)c2c1 777456862 IDMUBABKKBLHIH-UHFFFAOYSA-N 272.348 3.860 30 20 CHED N#Cc1ccc(/C=C/C(=O)c2cc(F)ccc2F)c(F)c1 772799058 ZXKBAWRUTQYLNQ-ZZXKWVIFSA-N 287.240 3.872 30 20 CHED C#CCCCCCC(=O)Nc1ccc(-c2cnco2)cc1 779857017 VSYFIRIZSXSLLV-UHFFFAOYSA-N 282.343 3.864 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)C1)c1ccccc1 888015301 IMKLRYYDYWGTLS-OCCSQVGLSA-N 297.320 3.757 30 20 CHED CC(=NOC1CCOCC1)c1cc(Cl)ccc1Cl 774436268 XYTDNTFPMNAVCQ-UHFFFAOYSA-N 288.174 3.913 30 20 CHED CC(C)C1CCC(CNC(=O)c2ccc(C#N)cc2)CC1 1126998172 XKHAKQXRWNYPQM-UHFFFAOYSA-N 284.403 3.750 30 20 CHED Cc1cccc2sc(NC(=O)c3csc(C#N)c3)nc12 1124468583 METTZIGJZKAHBF-UHFFFAOYSA-N 299.380 3.790 30 20 CHED N#C[C@H](NC(=O)CCCc1ccsc1)C1CCCCC1 783510453 ZUDXBPHUDWYVEK-HNNXBMFYSA-N 290.432 3.659 30 20 CHED CC(C)(C#N)CNC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 781930328 PIEPOCRCXRIUJL-UONOGXRCSA-N 293.455 3.688 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1F)c1cncs1 787173172 XXFPRKKYJDGGCS-DUXPYHPUSA-N 267.712 3.832 30 20 CHED C=C(CC(C)C)C(=O)N1CCC2(CC1)OCc1ccccc12 1123665332 JQFBMDYJOGWEBX-UHFFFAOYSA-N 299.414 3.637 30 20 CHED C=CCC(CC=C)C(=O)OCc1ccc(C#N)c(C)c1 784120003 TZAJQXSKWIQCCQ-UHFFFAOYSA-N 269.344 3.678 30 20 CHED O=C(/C=C\c1cnn(CC2CCC2)c1)c1cccs1 899335692 IAXWTGDGRMBVDX-SREVYHEPSA-N 272.373 3.641 30 20 CHED Cc1ccoc1C=NNc1ccc(C#N)c(Cl)c1 783877722 NNLJRJAAPUVWAW-UHFFFAOYSA-N 259.696 3.559 30 20 CHED CO[C@@H](C(C)=NNc1ncccc1Cl)c1ccccc1 782206622 PPWJCYXNOBRSNJ-AWEZNQCLSA-N 289.766 3.911 30 20 CHED C=CCOC(=O)CCC[C@H](C)c1cccc(OC)c1 789045763 UOHDFDLSOSAWEG-ZDUSSCGKSA-N 262.349 3.698 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2ccccc2C#N)c(Cl)c1 788361178 WBQCYFDUROIGMY-SOFGYWHQSA-N 292.725 3.979 30 20 CHED Cn1ncc(Cl)c1/C=C1\C(=O)c2cccc3c2[C@H]1CCC3 780187923 YPUDPTTWLLUMPW-LFTLCWSBSA-N 298.773 3.773 30 20 CHED C=CCN(C(=O)N[C@@H]1CCCC(C)(C)C1)C(C)C 785907534 ZZPYBCNMVWJLSO-CYBMUJFWSA-N 252.402 3.561 30 20 CHED C=CCC1(C(=O)O[C@H](C)c2cccc(C#N)c2)CCC1 791802090 UOENQIHXLZZAAM-CYBMUJFWSA-N 269.344 3.909 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(C(=O)N(C)C)cc2)s1 792925610 SXOQISNEPBRFCV-KHPPLWFESA-N 299.395 3.654 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Oc1ccc(Cl)cc1 799459578 IXHUUZWYARMUJT-BJMVGYQFSA-N 283.714 3.830 30 20 CHED Cc1cc(C#N)ccc1COC(=O)CCCOC(C)(C)C 797168089 SVRHFJIKHOQQRV-UHFFFAOYSA-N 289.375 3.505 30 20 CHED C#CCCCCCC(=O)Nc1ccc(Cl)nc1C 790250947 AFGZMSCULVSWIF-UHFFFAOYSA-N 264.756 3.566 30 20 CHED Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(Cl)n1 797602300 JKCRQNAHQVXDEG-LBPRGKRZSA-N 285.778 3.766 30 20 CHED Cc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1C#N 799719577 QMEZTVNXNHEXNQ-RRQGHBQHSA-N 282.387 3.517 30 20 CHED N#Cc1ccc(C(=O)O[C@H]2CCc3sc(Cl)cc32)o1 796985061 XMGQHBMQMBWRCI-VIFPVBQESA-N 293.731 3.710 30 20 CHED Cc1cc(N=Cc2cccc(O)c2O)c(Cl)cc1F 794675457 BTHCZYVVPDWKLC-UHFFFAOYSA-N 279.698 3.949 30 20 CHED Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2ccc(C#N)o2)cc1 796883560 QSPRQPVETMEBGL-HZPDHXFCSA-N 295.338 3.953 30 20 CHED C=CCOCCOC(=O)C[C@@H](c1ccccc1)C(C)C 797310053 PPVDWPKLMCGRIK-MRXNPFEDSA-N 276.376 3.562 30 20 CHED FC(F)(F)CCNN=C1CC2(CCC2)Oc2ccccc21 794552732 SBXRAFMSRGXZLZ-UHFFFAOYSA-N 298.308 3.638 30 20 CHED CCc1cccc(C)c1NN=C(C)c1cc(C)on1 799493455 CEASGCMOBYPZLU-UHFFFAOYSA-N 257.337 3.690 30 20 CHED Cc1ccc(CC(=NNCC2CCOCC2)C(C)C)cc1 1318735187 WFMPCUSOMPRCHZ-UHFFFAOYSA-N 288.435 3.566 30 20 CHED O=C(CC#Cc1ccccc1)Oc1ccc(Cl)cc1 1319121966 VVOUUORNTDDIMT-UHFFFAOYSA-N 270.715 3.687 30 20 CHED CCOc1ccc(C[C@H](C)CNc2ccc(C#N)cn2)cc1 1163449836 HBQSFVWDTMWSJA-AWEZNQCLSA-N 295.386 3.643 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@@H]1c1ccc[nH]1 277570937 BIDRYWZLXSIBKA-OAHLLOKOSA-N 259.397 3.872 30 20 CHED CCC[C@@H](C)N(C)c1nc(C(F)(F)F)ccc1C#N 78833827 LURQKVNRVCZJNB-SECBINFHSA-N 271.286 3.597 30 20 CHED CCCc1ccccc1NCc1cccc(C#N)n1 602495835 XQBLHQXSGVPYLB-UHFFFAOYSA-N 251.333 3.518 30 20 CHED C=CC1CCN(Cc2csc(-c3ccco3)n2)CC1 111693178 GJSWAQXDDMJFQY-UHFFFAOYSA-N 274.389 3.801 30 20 CHED C=CCc1ccccc1OCc1cn(C)nc1C(F)F 1320450436 APVSLKPSWQJUMF-UHFFFAOYSA-N 278.302 3.665 30 20 CHED C=CCC1(NC(=O)/C=C\c2nccs2)CCCCC1 1337485414 BZUAOJZWDSZXSO-SREVYHEPSA-N 276.405 3.552 30 20 CHED Cc1ccc([C@H](C)Nc2cccc(CC#N)n2)cc1 1255095875 OFNOJDVFBXRXAD-ZDUSSCGKSA-N 251.333 3.629 30 20 CHED C=C(C)CCC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 1338959643 OOSJRXCOKSYXTM-TXEJJXNPSA-N 277.330 3.922 30 20 CHED O=C(OCCC(F)(F)C(F)(F)F)[C@@H]1CCC(F)(F)C1 1263610111 FMIDUMDLTQZTJK-ZCFIWIBFSA-N 296.182 3.553 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1cnc(Cl)cc1C#N 1349668441 VPJUEMWXUHJWRJ-CMPLNLGQSA-N 291.782 3.762 30 20 CHED C=CCC1(c2nnc(-c3cccnc3)o2)CCCC1 1349955776 QOMMGDLISPNXSA-UHFFFAOYSA-N 255.321 3.520 30 20 CHED CC(C)(C)n1cc(CSCc2ccccc2C#N)cn1 1261656449 ASLMOPGISSKSSL-UHFFFAOYSA-N 285.416 3.943 30 20 CHED C[C@@]1(C(=O)O[C@@H](CC#N)c2ccco2)C[C@H]2CC[C@H]1C2 1347949583 ZBLXDXAJECVHIW-LMRQPLJMSA-N 273.332 3.604 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 1197550435 ULCSKZFUCONFMD-LSDHHAIUSA-N 285.391 3.896 30 20 CHED CC[C@H](C#N)N(CC)C(=O)c1cccc(C(C)C)c1 1349907646 UEEJNTXKTVSXCG-OAHLLOKOSA-N 258.365 3.574 30 20 CHED Cc1coc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1C 1342045245 YNUIECUNGQRROR-CQSZACIVSA-N 290.322 3.935 30 20 CHED Cc1nc(-c2nnc(-c3cccc(Cl)c3)o2)ccc1C#N 1341383918 OAFCQHAUFAYOBH-UHFFFAOYSA-N 296.717 3.632 30 20 CHED N#CCOc1cccc(CNCc2cccc(C3CC3)c2)c1 1261389925 VNUURQFUJOQMGA-UHFFFAOYSA-N 292.382 3.756 30 20 CHED Cc1ccc(CSCCCOc2cccc(C#N)c2)cn1 1346540893 NQTQDJWKNKJPAN-UHFFFAOYSA-N 298.411 3.964 30 20 CHED C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1ccc(F)cc1 1193143518 JRVDTWGCMUIRGM-GFCCVEGCSA-N 297.333 3.774 30 20 CHED C=C[C@@H](CC)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 1344529539 HJIMQNOZIZKXTD-STQMWFEESA-N 281.359 3.650 30 20 CHED CC[C@H](C)n1ncc(NC(=O)CC(C)(C)C#N)c1C1CC1 1295880521 XSPSFDDSPKYQRQ-NSHDSACASA-N 288.395 3.610 30 20 CHED CCCc1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)s1 1528489261 HCGYITQZXRJNGO-RYUDHWBXSA-N 277.389 3.940 30 20 CHED CC(C)C(CNC(=O)c1ccc(Cl)c(C#N)c1)C(C)C 1523153233 KGCXTNWYYOOBIR-UHFFFAOYSA-N 292.810 3.870 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 1462167356 ALOLFIPJVQKSJL-DOMZBBRYSA-N 274.339 3.852 30 20 CHED N#CCc1ccc(CSCc2ccncc2)cc1 1615017408 UAFQQKCDFNXQOV-UHFFFAOYSA-N 254.358 3.581 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1C#N 1629742907 QICMKRCECSCSBL-DZGCQCFKSA-N 288.366 3.642 30 20 CHED C[C@@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])cc1C#N 105990197 LMPQIEMJJOVXMA-JTQLQIEISA-N 287.344 3.725 30 20 CHED C=CCN(CC=C)CCSc1ccc(F)cc1 216426681 LTMBVIKXBQMLHQ-UHFFFAOYSA-N 251.370 3.592 30 20 CHED Cc1nc(N[C@H]2CCC[C@@H](C(C)C)C2)ccc1C#N 1639443715 XWSZVGVSWMIEOA-HIFRSBDPSA-N 257.381 3.888 30 20 CHED C=CCCCN(CC)C(=O)Nc1cccc(C(=O)O)c1C 1588801741 YHHHBSIQDBCVJA-UHFFFAOYSA-N 290.363 3.513 30 20 CHED C[C@@H]1CC[C@H](Nc2nccc(Oc3cccc(C#N)c3)n2)C1 1655855994 GIRIINXTGWSVMO-OCCSQVGLSA-N 294.358 3.741 30 20 CHED CC(C)Nc1ccccc1NC(=O)c1ccc(C#N)s1 1584804637 FLQURIHZIRUTHW-UHFFFAOYSA-N 285.372 3.692 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2snc(C)c2C#N)c1 1651572782 RWWUZZZGDAIQRR-GFCCVEGCSA-N 285.416 3.983 30 20 CHED CC[C@H](C)[C@H](C)N(CCc1ccc(C#N)cc1)C1CC1 1657279846 AMOOZIFCVVWGFH-GJZGRUSLSA-N 270.420 4.000 30 20 CHED CC(C)(Oc1ccccc1)C(=O)Nc1cccc(CC#N)c1 1587610252 TWDCWOBPLFYOIR-UHFFFAOYSA-N 294.354 3.549 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(CCC)CCC 1760375337 KVSVYLFRBKMKEC-UHFFFAOYSA-N 296.846 3.925 30 20 CHED O=C(/C=C/c1csc(C(=O)O)c1)c1ccc(Cl)cc1 1776115381 WZZZTMILVMZEKF-LZCJLJQNSA-N 292.743 3.996 30 20 CHED C=CCCCCCN1CCC([C@@H]2CCC[C@H]2C(=O)O)CC1 1776173416 UDHFIODJHKAMMS-DLBZAZTESA-N 293.451 3.946 30 20 CHED Cc1ccc(N(CCC#N)C(=O)c2cc(C(C)C)on2)cc1 161914984 TZVLWXGWZNNTRZ-UHFFFAOYSA-N 297.358 3.667 30 20 CHED N#CCC[C@H](/N=C/c1ccccc1O)c1ccccc1 158261214 UDODJTJPFOSUDW-HUCUOGIVSA-N 264.328 3.856 30 20 CHED CCCn1nc(C)c(/C=C/C(=O)c2ccccc2O)c1C 160723918 BNIKMBNADOGOJN-MDZDMXLPSA-N 284.359 3.512 30 20 CHED N#CCCSc1ccccc1NCc1nccs1 163151335 ZICXGFHFZVSSLL-UHFFFAOYSA-N 275.402 3.761 30 20 CHED Cc1ccsc1/C=C/C(=O)c1ccc(C(=O)O)s1 7333325 PDXUFXYIDCEGAI-NSCUHMNNSA-N 278.354 3.712 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2ccc(Cl)c(C)c2)n1 151527110 KQDZCAUPLFXDQR-LLVKDONJSA-N 290.775 3.903 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Cc1ccccc1Cl 151717696 QNTXNXUXZSUBRX-LRDDRELGSA-N 292.810 3.573 30 20 CHED CSc1ccsc1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 152191636 IJUGEJRCIUMJFO-YGRLFVJLSA-N 294.445 3.672 30 20 CHED CN(C)c1cc(F)ccc1C(=O)/C=C/c1ccsc1 155825011 PHLSYAHRVGPNCM-ZZXKWVIFSA-N 275.348 3.849 30 20 CHED Cc1cccc(N(C)C(=O)Nc2ccc(C#N)cc2)c1 1657571259 UARLOXPPCIEJAV-UHFFFAOYSA-N 265.316 3.535 30 20 CHED Cc1c(F)cccc1NCc1cccc(C#N)c1F 230055217 DNHVVMFSXJULOC-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C[C@H](CNc1cc(Cl)ccc1C#N)c1nccs1 230607107 PNXPTNUOIAEJCK-SECBINFHSA-N 277.780 3.884 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc(C(C)C)cc2)C1 125718063 JLKLYTZSSQBNBW-UHFFFAOYSA-N 256.349 3.688 30 20 CHED C[C@@H]1CCN(c2c(C#N)cnc3ccccc23)C[C@@H]1C 161623542 ARLINZJITCZJBB-OLZOCXBDSA-N 265.360 3.589 30 20 CHED Cc1ccc(CN(C)Cc2cc(F)ccc2C#N)cc1 177249842 PTKSODSVKMCOON-UHFFFAOYSA-N 268.335 3.638 30 20 CHED CN(Cc1ccc(CC#N)cc1)C1CCC(F)(F)CC1 347623504 YPXIOZZMSNBFGI-UHFFFAOYSA-N 278.346 3.762 30 20 CHED C=C(Cl)CN[C@H](C)c1cc(Cl)cc(C)c1O 309545072 GTTSAZXPMDGKSA-SECBINFHSA-N 260.164 3.757 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCC(F)(F)C2)c(F)c1 311153214 VEVVXYGAUINERD-LLVKDONJSA-N 268.282 3.935 30 20 CHED C=CCCCSc1nccn1Cc1ccccc1 605076636 QIZFYDDZNIPXHT-UHFFFAOYSA-N 258.390 3.990 30 20 CHED COC1(CNc2cccc(CC#N)c2)CCCCC1 319090551 UPUIGCBAFYESNW-UHFFFAOYSA-N 258.365 3.514 30 20 CHED CC(C)c1nc(CN[C@@H](C)c2ccc(C#N)cc2)cs1 79917367 ZNNMMTJXZYZBLE-LBPRGKRZSA-N 285.416 3.989 30 20 CHED C=CC[C@H](CC)NCc1ccc2nc(C)ccc2c1 341461363 MAOOCMCWERNLER-INIZCTEOSA-N 254.377 3.988 30 20 CHED CC(C)(NCc1ccc(C#N)cc1F)c1ccccc1 380404216 FIGKDKUPAXLWPU-UHFFFAOYSA-N 268.335 3.722 30 20 CHED CC[C@@H](Nc1cccc(OCC#N)c1)[C@H]1CC1(C)C 397734234 YZVFSOASXHCVOE-HUUCEWRRSA-N 258.365 3.826 30 20 CHED N#CC[C@H]1CCCN(C(=O)c2cccc3ccsc23)C1 397831390 XAOLHRIRYJYKPV-GFCCVEGCSA-N 284.384 3.667 30 20 CHED CCC(Cc1ccccc1)=NNCc1ccccc1 745806888 RFHPXENCAWGKSQ-UHFFFAOYSA-N 252.361 3.785 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1[N+](=O)[O-] 7745562 GXXYMRMKUYSFOH-WEVVVXLNSA-N 283.283 3.505 30 20 CHED C=CCc1ccc(OC(=O)C2CCCCC2)c(OC)c1 29124391 CKKDRUZRAKGJDP-UHFFFAOYSA-N 274.360 3.909 30 20 CHED O=C1/C(=C\c2ccsc2)COC/C1=C/c1ccsc1 33724550 HXTDNVRNPLUCTA-GFIWHYBVSA-N 288.393 3.876 30 20 CHED CCN(CC)CCC[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 37200926 IXRXYKMDCFFOOI-CVEARBPZSA-N 287.451 3.719 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNCc2cccc(C#N)c2)o1 37748568 NVUXSFKBAFYIMN-LRDDRELGSA-N 266.344 3.564 30 20 CHED Cc1ccc([C@@H](C)NCc2cccc(OCC#N)c2)cc1 37770698 PFJZIAQSQCMBNL-OAHLLOKOSA-N 280.371 3.748 30 20 CHED CCN(CC)C[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 41680759 IXBBVDDVWYSFAE-LLVKDONJSA-N 299.340 3.719 30 20 CHED C[C@H](C#N)CN(C)C(=O)NC1CCC(c2ccccc2)CC1 46023447 OMHURNVHFIYQPE-ODIFPOPNSA-N 299.418 3.514 30 20 CHED C[C@@H](NC(=O)N(C)CC1CCCCC1)c1ccc(C#N)cc1 47051878 SAKDADRABYUXMB-CQSZACIVSA-N 299.418 3.841 30 20 CHED C=CCCC(=O)Nc1ccc(Br)c(C)c1 54400204 XCEUALGOOIXDAI-UHFFFAOYSA-N 268.154 3.662 30 20 CHED C=CCOc1ccccc1C(=O)N(C)c1ccc(F)cc1 55751069 QZDLKOGSSSSNDF-UHFFFAOYSA-N 285.318 3.667 30 20 CHED C=C(C)CN(CC)C(=O)c1cc2ccc(OCC)cc2[nH]1 58833915 ZFVTUEHMCPCHAK-UHFFFAOYSA-N 286.375 3.605 30 20 CHED C[C@@H]1CN(Cc2cc(C#N)ccc2F)c2ccccc21 61072066 HIMKKTHKXABQQA-GFCCVEGCSA-N 266.319 3.821 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@H](c1ccccc1)C(C)(C)C 69353224 OOCYIDZDYCCQFY-GDBMZVCRSA-N 289.419 3.871 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1c(F)cccc1F 73287463 KMQFCBOIOWJXJB-UHFFFAOYSA-N 287.309 3.793 30 20 CHED N#Cc1ccc(Oc2cnc3cc(F)c(F)cc3n2)cc1 74278471 QZVZSVHONMXRRP-UHFFFAOYSA-N 283.237 3.572 30 20 CHED CSc1ccc(C)c(C(=O)NCc2cccc(C#N)c2)c1 74405527 VWAJSZIMHPEGDA-UHFFFAOYSA-N 296.395 3.519 30 20 CHED C=CCOc1ccc(CNCc2sccc2C)cc1 75675476 MAMWKABBFAYVAF-UHFFFAOYSA-N 273.401 3.911 30 20 CHED CC1(C(=O)Nc2cccc(OCCCC#N)c2)CCCC1 77702157 UUSKUZNFKKHKEZ-UHFFFAOYSA-N 286.375 3.888 30 20 CHED C[C@@H](Cc1ccccc1F)C(=O)N(C)c1cccc(C#N)c1 78089423 JGLDUTRVYYBXHZ-ZDUSSCGKSA-N 296.345 3.539 30 20 CHED Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C2(C#N)CCCC2)C1 78185082 CAFKYPDLPOABIF-HOTGVXAUSA-N 296.414 3.783 30 20 CHED Cc1ccc(C[C@H](C)NCc2cccc(C#N)c2)s1 80240882 WCNPPXLPVGDQCL-LBPRGKRZSA-N 270.401 3.649 30 20 CHED CC(C)(C)c1cnc(NC(=O)c2cccc(CC#N)c2)s1 81234176 OWPSGEPCPPRLII-UHFFFAOYSA-N 299.399 3.759 30 20 CHED CCC(CC)(CNC(=O)C1(C#N)CCC1)c1ccccc1 81311824 DGWOTXZFFVSAKN-UHFFFAOYSA-N 284.403 3.554 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2)cc1 84907457 RDVOVJPDAOAIQX-ZDUSSCGKSA-N 295.342 3.760 30 20 CHED CC(C)(C#N)CCC[S@@](=O)c1ccc2c(c1)CCC2 87611217 FXPHXUWHSOIAIT-IBGZPJMESA-N 275.417 3.613 30 20 CHED CCc1ccc(C2=CCN(CCCC#N)CC2)cc1 93262866 LBHDHWCQUNFEHD-UHFFFAOYSA-N 254.377 3.642 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC(C)CC2)c1 98029814 NUTIICUMNPODFE-UHFFFAOYSA-N 274.364 3.515 30 20 CHED C=CC1CCN(C(=O)CC(C)(C)c2ccccc2)CC1 110368221 VMSZGGPJVMZBEH-UHFFFAOYSA-N 271.404 3.779 30 20 CHED C[C@H]1Cc2ccccc2[C@H]1NCc1cccc(C#N)c1 111410808 GDQUSCYXYPYWJC-UGSOOPFHSA-N 262.356 3.581 30 20 CHED C=CCOc1ccccc1CNC(=O)Nc1ccccc1C 111699706 DIKYZZBLGARVQY-UHFFFAOYSA-N 296.370 3.882 30 20 CHED C=CC[C@H](C)NC(=O)c1cccc(Cl)c1Cl 116850933 FZMLNHKWFMMVHW-QMMMGPOBSA-N 258.148 3.688 30 20 CHED C=CCCO[C@@H](C)C(=O)O[C@H](C)c1ccc(F)c(F)c1 120217817 DNZKSLNHUGOGGZ-MNOVXSKESA-N 284.302 3.550 30 20 CHED CC(C)c1ccc(CCC(=O)N[C@](C)(C#N)C(C)C)cc1 120920406 WQHMDCPWUIIPDR-GOSISDBHSA-N 286.419 3.797 30 20 CHED COc1ccc(C(=O)/C=C/c2ccccc2C#N)cc1F 120924761 UIKLRPADDPENTL-SOFGYWHQSA-N 281.286 3.602 30 20 CHED CN(CCOc1cccc(Cl)c1)CC(C)(C)CCC#N 121498327 ALXSRBCMRIOXTQ-UHFFFAOYSA-N 294.826 3.981 30 20 CHED C=C[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 123465688 HTSZCTKQZVJHFF-ZETCQYMHSA-N 260.215 3.600 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Cc1ccccc1Cl 124372091 RSVBUBPHVBIFEH-ZDUSSCGKSA-N 277.795 3.719 30 20 CHED C=C(Cl)CN1CCCCC[C@H]1C[C@H](O)c1ccco1 125289552 HLLICHYNPFJCQZ-KBPBESRZSA-N 283.799 3.700 30 20 CHED C=CCCSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 128497439 FDWGNHYRHSQCSG-UHFFFAOYSA-N 292.429 3.532 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1cc(F)c(F)c(F)c1 130768316 IHUGTSXMPNVVSP-UHFFFAOYSA-N 290.288 3.608 30 20 CHED Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2OC(C)C)[nH]1 131231615 XWJVAIZBQDLMEL-UHFFFAOYSA-N 297.358 3.543 30 20 CHED C[C@H](OC(=O)[C@H]1C[C@@]12CCCc1ccccc12)C(C)(C)C#N 131293499 SHGJKPDBEMSAJW-URKNILKWSA-N 297.398 3.762 30 20 CHED CCOc1cc(/C=C/C(=O)c2ccc(C#N)s2)ccc1O 134503468 BMEZDAYFNZPMOS-QPJJXVBHSA-N 299.351 3.620 30 20 CHED C=CCCC(=O)CSc1ncc(-c2ccccc2)n1C 134680773 GOZKUMQWOZYUNR-UHFFFAOYSA-N 286.400 3.715 30 20 CHED C=C[C@H](CC(=O)NCc1cc(C(C)C)no1)c1ccccc1 134797671 PKHONIYVROSPHR-CQSZACIVSA-N 298.386 3.774 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@@H]1SCC 151489327 DUAWLAIXVKJDTP-CABCVRRESA-N 281.465 3.935 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1SC(F)(F)F 156635297 GXRGJTCWUGBSRR-UHFFFAOYSA-N 290.310 3.948 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2ccc(C#N)s2)c1 156696723 JHDBRJBKXKYLDL-FNORWQNLSA-N 269.325 3.530 30 20 CHED CC[C@@H](C(=O)Oc1ccc(C#N)cc1F)c1ccccc1 157894064 NPACISWWHONNEB-CQSZACIVSA-N 283.302 3.797 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N(C)[C@H](C)CC#N)cc1 158887136 MJDOPSIRFVVJTK-UONOGXRCSA-N 272.392 3.503 30 20 CHED CCCCCCCCNC[C@H](O)c1ccc(C#N)cc1 159289555 SFDHDNBFXIKMBK-KRWDZBQOSA-N 274.408 3.542 30 20 CHED C=CCC[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccccc1 160506640 PLYXYUCLUKQRTA-QGZVFWFLSA-N 297.402 3.639 30 20 CHED C=CCCCCCN(C)C(=O)Nc1ccc(C)nc1 161336050 GYEMPYXSBFSVAH-UHFFFAOYSA-N 261.369 3.600 30 20 CHED CC(C)CC1(C(=O)N[C@@H](C#N)c2ccccc2F)CCC1 161447163 XCZKVQKEMNDBAF-HNNXBMFYSA-N 288.366 3.723 30 20 CHED CCO[C@@H](CCNc1nc(C)ccc1C#N)C1CCCC1 161687538 ZZFWIBNMUZPWGV-INIZCTEOSA-N 287.407 3.659 30 20 CHED Cc1ccc(S(=O)(=O)[C@H](C#N)C2CCCCC2)cc1C 168029053 DWOMRTZFCQPBID-MRXNPFEDSA-N 291.416 3.550 30 20 CHED CC[C@@H]1CCN(c2cccc(Br)c2C#N)C1 168595939 KACJRFXMTHMIGN-SNVBAGLBSA-N 279.181 3.557 30 20 CHED C[C@@H](CO)SCc1ccc(-c2ccccc2C#N)cc1 172978673 YRDVVNZWQBRWOI-ZDUSSCGKSA-N 283.396 3.839 30 20 CHED C=C(C)COC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 174022171 KKLDNSCOQUUYHH-UHFFFAOYSA-N 293.338 3.543 30 20 CHED C#CCCCNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 174104165 PFVHSFYMBRLTKB-SNVBAGLBSA-N 299.201 3.767 30 20 CHED CCCCCCCCC(=O)OCc1ncc(C)o1 175180710 AIQSRWMXJVITLT-UHFFFAOYSA-N 253.342 3.777 30 20 CHED C=CCN(C(=O)c1oc(C)cc1C)c1ccccc1 175476393 JXEOPBQZZJWIBN-UHFFFAOYSA-N 255.317 3.729 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 175820427 BZMTWWVNQZBZMY-CYBMUJFWSA-N 293.436 3.510 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(C#N)cs1 177517748 OYJMXENFNOXMCG-DOMZBBRYSA-N 296.395 3.638 30 20 CHED C=CCN(C/C(Cl)=C/Cl)Cc1cccc(C#N)c1 177717925 YMXNAUUWPPRMFX-ZSOIEALJSA-N 281.186 3.865 30 20 CHED Cc1cc(CS(=O)(=O)CCCC(C)(C)C#N)c(C)s1 178163342 JPRKLPXRJWMHLL-UHFFFAOYSA-N 299.461 3.610 30 20 CHED Cc1cccc([C@@H](C)S(=O)(=O)CCCC(C)(C)C#N)c1 178169721 PAGFEGGJUGJHSW-CQSZACIVSA-N 293.432 3.801 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cccc(-c3ccoc3)c2)C1 179887911 IMXBNGPRESBFDB-WBMJQRKESA-N 281.311 3.796 30 20 CHED CC(C)(C#N)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 180099794 LRDVMWDSDVIZCO-CYBMUJFWSA-N 284.403 3.508 30 20 CHED CC[C@@H](CC(=O)Nc1ccccc1O[C@H](C)C#N)C(C)C 182034217 OCXNTGBOHSLBHC-KGLIPLIRSA-N 288.391 3.988 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C 182358150 HZDQYINNRCXEPK-OAHLLOKOSA-N 274.408 3.991 30 20 CHED COc1cccc2c1CCN([C@@H](C)c1ccc(C#N)cc1)C2 182709990 SHOONNJBALSVOZ-AWEZNQCLSA-N 292.382 3.686 30 20 CHED CC[C@H](CC#N)NCC1CCC(C(F)(F)F)CC1 185576477 MSIBDLDZLOWNSU-HTAVTVPLSA-N 262.319 3.637 30 20 CHED CCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1OC 185734426 BJZRCYMCAHMOQQ-OLZOCXBDSA-N 274.364 3.588 30 20 CHED CC#CCCCC(=O)N(CC(F)(F)F)C1CCCC1 185976285 KKPVRZMHKIVWGL-UHFFFAOYSA-N 275.314 3.514 30 20 CHED C=CC[C@H](C(=O)Nc1ncccc1C)c1ccccc1 186220445 FELACENIHFAMAO-HNNXBMFYSA-N 266.344 3.688 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc(F)c1F 186323662 RNOXXCREECMFCC-LBPRGKRZSA-N 286.325 3.996 30 20 CHED CCCCCCCC(=O)N1CCC([C@H]2CCCO2)CC1 187629712 QMUGMPDDRPVPMO-MRXNPFEDSA-N 281.440 3.765 30 20 CHED C=C(C)[C@@H](NCc1ncc(C)o1)c1ccc(F)c(F)c1 187788465 LDNXHIUSGJJMEB-OAHLLOKOSA-N 278.302 3.668 30 20 CHED CC[C@H](CC#N)NCCCCCOc1ccccc1 188486697 ZBCMRQHEEJFNMB-OAHLLOKOSA-N 260.381 3.518 30 20 CHED C=CCNC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 189394559 NOOCURUWAJEJAE-QMMMGPOBSA-N 273.163 3.540 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccccc1Br 190128570 XEMDCRDOUUMMBR-AWEZNQCLSA-N 296.208 3.668 30 20 CHED C=CCC1(C(=O)NCc2ccc(F)c(Cl)c2)CCC1 190992494 WOCCCWCVAPOVAT-UHFFFAOYSA-N 281.758 3.842 30 20 CHED C=C(Cl)CSCCOc1ccccc1C(C)=O 192679344 JZEVZRHIRNUMIL-UHFFFAOYSA-N 270.781 3.754 30 20 CHED Cc1cc2cc(/C=C/C(=O)c3ccnn3C)oc2cc1C 193057895 MLLBIGFWVJFCED-SNAWJCMRSA-N 280.327 3.679 30 20 CHED N#Cc1ccc(NCc2cccc3cc[nH]c23)c(F)c1 228032500 QLLLQOGLZWLUFI-UHFFFAOYSA-N 265.291 3.791 30 20 CHED C[C@H]1CCC[C@H]1CNc1nc(Cl)c(C#N)s1 230691123 SFLHCQBOQURLRH-YUMQZZPRSA-N 255.774 3.516 30 20 CHED N#Cc1ccc(OC[C@H]2CCC3(CCCC3)O2)c(F)c1 232364019 VDGKXCCYWHNAGQ-CYBMUJFWSA-N 275.323 3.568 30 20 CHED Cc1csc(C(=O)NCc2cccc(C#N)c2)c1Cl 235962431 HPAIRCUIMZNOSH-UHFFFAOYSA-N 290.775 3.512 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl 248247551 RAIYJVSSOJIIQO-UONOGXRCSA-N 277.795 3.868 30 20 CHED CCCCCCCC(=O)Nc1nc(C(=O)OCC)cs1 248289123 IWBWHQHFKAUTOS-UHFFFAOYSA-N 298.408 3.619 30 20 CHED CCn1cc(/C=C\C(=O)c2ccccc2C(F)(F)F)cn1 255306052 DCIPGFAOGCBXSM-FPLPWBNLSA-N 294.276 3.818 30 20 CHED N#Cc1ccc(NC(=O)/C=C\SCc2ccco2)cc1 255306766 SYDYDBQVPWJNPO-CLFYSBASSA-N 284.340 3.537 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1 255310889 ONEQPVGOFYNMEA-UTCJRWHESA-N 288.690 3.539 30 20 CHED C=CCCC(=O)NC1(c2ccc(Br)cc2)CC1 263697311 SPJYGOUJBUFYPR-UHFFFAOYSA-N 294.192 3.521 30 20 CHED C=CCCC(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 264550037 VSZBCJQAGZXYNR-GFCCVEGCSA-N 287.359 3.893 30 20 CHED CC(C)(C)[C@@H](C#N)NC(=O)Cc1c(Cl)cccc1Cl 267257565 PLWWEEHYBQMJQT-GFCCVEGCSA-N 299.201 3.590 30 20 CHED CC(C)CC(C)(C)C(=O)N1CCc2ccc(C#N)cc21 270288226 VHWIFZOMJSVEHD-UHFFFAOYSA-N 270.376 3.520 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1CCC(C)(C)C#N 271949067 AQNLLRYHOVVTFV-ZBFHGGJFSA-N 256.393 3.804 30 20 CHED CC[C@H](Nc1nccc(C)c1C#N)c1nc(C)cs1 273325691 LDXOZTBMWFVYKT-LBPRGKRZSA-N 272.377 3.590 30 20 CHED COc1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1F 280146470 ZPZGURDVOAMUSE-AATRIKPKSA-N 288.322 3.508 30 20 CHED C[C@@H](N[C@@H]1CCCC12CCOCC2)c1cccc(C#N)c1 282040756 LMJFCKDLDZXMAG-RHSMWYFYSA-N 284.403 3.558 30 20 CHED C=CCCCN(Cc1ccc(F)cc1)C1CCOCC1 287846924 QZNHMJADQKQDKU-UHFFFAOYSA-N 277.383 3.773 30 20 CHED Cc1cccc(NC(=O)CSCCC(C)(C)C#N)c1 289495716 YQLKRTQKVWAGSH-UHFFFAOYSA-N 276.405 3.607 30 20 CHED C[C@H]1CN(c2c(C#N)cnc3ccccc23)CCC1(F)F 291166995 QMZLJGAISXXEMU-NSHDSACASA-N 287.313 3.588 30 20 CHED C=C[C@H](CC(=O)N(C)Cc1occc1C)c1ccccc1 292063625 AYEYNUWQDORXSN-OAHLLOKOSA-N 283.371 3.906 30 20 CHED CC(C)(C)c1nc2cc(NC(=O)CCCC#N)ccc2o1 292370705 DFIAMSYUEBFPGJ-UHFFFAOYSA-N 285.347 3.758 30 20 CHED C=CCC(C)(C)C(=O)NCc1ccc(CC)s1 292617650 IOWVDEKVANJPQC-UHFFFAOYSA-N 251.395 3.529 30 20 CHED C=CCN(C(=O)c1cn(C)nc1C(C)(C)C)c1ccccc1 292648255 KUMVDKSDGBNAJY-UHFFFAOYSA-N 297.402 3.550 30 20 CHED CCN(CCc1ccccc1)C(=O)[C@]1(C#N)CC12CCCC2 294383315 NRDQJHMHURCLMY-LJQANCHMSA-N 296.414 3.552 30 20 CHED C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1Cc1ccc(C#N)o1 295114666 MFYPDZPESGOQDK-AXFHLTTASA-N 286.297 3.703 30 20 CHED N#C[C@@]1(C(=O)NCc2coc3ccccc23)CC12CCCC2 295406029 ZYUTVAOYYPKDKL-GOSISDBHSA-N 294.354 3.523 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)c2ccsn2)s1 297713464 IWXZCSLHCCQEJQ-UHFFFAOYSA-N 291.401 3.626 30 20 CHED CCCCCCCC(=O)N[C@H]1CCCc2nc(O)ccc21 298181162 CNFHASXWKFWBIV-AWEZNQCLSA-N 290.407 3.641 30 20 CHED N#Cc1cccc(CN2CCC[C@@H]3CCCC[C@H]32)c1F 300240614 SGFIPONUHRUZBK-XJKSGUPXSA-N 272.367 3.852 30 20 CHED N#Cc1cc(Cl)ccc1N1CC[C@@H](Nc2ccccc2)C1 301257517 UHLKILHQOIPNID-MRXNPFEDSA-N 297.789 3.902 30 20 CHED C[C@@H](Nc1c(Cl)cccc1C#N)C(C)(C)CN(C)C 301665071 ZPKVQFZAQVMHAK-LLVKDONJSA-N 279.815 3.600 30 20 CHED C[C@H]1CCN(c2cc(Cl)ccc2C#N)CCS1 302715219 FQSAOVYLIMJXEC-JTQLQIEISA-N 266.797 3.543 30 20 CHED CC(C)[C@H](CNc1c(C#N)cccc1C#N)c1cccnc1 302890729 PKZYMBIHQFSPMJ-KRWDZBQOSA-N 290.370 3.677 30 20 CHED CN(CCOc1ccccc1)c1cc(Cl)ccc1C#N 303497888 QYUQXUXKVYCAFO-UHFFFAOYSA-N 286.762 3.727 30 20 CHED C=C[C@@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1O 309546674 HAXIXPJHINWEKN-SFYZADRCSA-N 260.164 3.924 30 20 CHED C=CCC[C@H](C)NC[C@@]1(C)CCN(Cc2ccccc2)C1 309711681 JOUBCABGEWKIKP-PKOBYXMFSA-N 286.463 3.843 30 20 CHED N#Cc1ccc(Oc2nc(Cl)c(C#N)s2)c(Cl)c1 310811286 CDRNNTLTRWMJDU-UHFFFAOYSA-N 296.138 3.986 30 20 CHED Cc1cc(OCCC(C)(C)C#N)c(C)c(C)c1C#N 311579060 HOBCHWMFTKDLJF-UHFFFAOYSA-N 256.349 3.802 30 20 CHED N#CCc1cccc(NCc2cccc3[nH]ccc23)c1 313407520 GVALYNUNMKVXBG-UHFFFAOYSA-N 261.328 3.846 30 20 CHED CCOC[C@H]1CCCCN1Cc1ccc(C#N)cc1Cl 313488453 UJLBILHVHYJYPG-OAHLLOKOSA-N 292.810 3.603 30 20 CHED O/C(=N/[C@@H]1CC[C@@H](F)C1)Nc1ccc2ccoc2c1 329230906 DSWPKEOCTRDBPF-GHMZBOCLSA-N 262.284 3.649 30 20 CHED Cc1cnc([C@H](C)/N=C(/O)CC/C(O)=N/C2CCCC2)o1 329470896 ZDPRZTILEUHZOZ-NSHDSACASA-N 293.367 3.680 30 20 CHED CCC[C@@H]1CCCCN1C(O)=Nc1cccc2c1OCO2 329838390 MNIZGYZBPICOLH-GFCCVEGCSA-N 290.363 3.615 30 20 CHED CC(C)n1ncc2ccc(N=C(O)N3C[C@@H]4CCC[C@H]43)cc21 329926285 KORWWVXBGJUQGV-DZGCQCFKSA-N 298.390 3.647 30 20 CHED CC[C@@]1(C)Oc2ccc(N=C(O)C[C@H]3CCOC3)cc2O1 329991155 JQCJMKHVHDRZBV-BZNIZROVSA-N 291.347 3.599 30 20 CHED CC(C)C[C@@](C)(C#N)/N=C(/O)c1ccccc1Cl 330749989 AJBIANXTKKEZLV-AWEZNQCLSA-N 264.756 3.973 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1ccc(C(C)C)s1 330874324 STKFNFZUDSJSJO-OAHLLOKOSA-N 278.421 3.930 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/[C@@H](C)C(C)C)s1 330921624 QMYKIOVRLSHCMX-VHSXEESVSA-N 270.398 3.590 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)c(C2CC2)n1 334688660 ROIAJJQHGXBUAC-UHFFFAOYSA-N 291.354 3.700 30 20 CHED CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@H]1c1ccncc1 335179570 UNAHZNGSOMXDME-KRWDZBQOSA-N 295.361 3.675 30 20 CHED Cc1oc(C#N)cc1C(=O)N(C)c1ccc(F)c(Cl)c1 335723065 VTKSHOUGJJFHMP-UHFFFAOYSA-N 292.697 3.529 30 20 CHED Cc1cc(C(=O)Nc2ccc(C#N)cc2Cl)oc1C 336117024 AAWOWQKYNQXUTF-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CN(Cc1cccc(C#N)c1F)C1CCC(F)(F)CC1 336573378 GVFVIHBXWZCZQZ-UHFFFAOYSA-N 282.309 3.707 30 20 CHED Cc1nc(N(C)Cc2cccc(Cl)c2)ccc1C#N 336808993 DKEUBGZZMAANLQ-UHFFFAOYSA-N 271.751 3.552 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]2CCCC[C@H]21 337775900 XSAYFJNSIUZPGG-WMLDXEAASA-N 282.387 3.662 30 20 CHED C=CCOc1cccc(/C=C\c2ncc(C(=O)O)s2)c1 338615403 VONUOMCMVNUPIE-SREVYHEPSA-N 287.340 3.577 30 20 CHED C[C@@]1(CNc2cccnc2C#N)C[C@H]1c1ccccc1 338743722 RJBNOUKFEDEXIK-YOEHRIQHSA-N 263.344 3.559 30 20 CHED C=CCOCCN(C)Cc1c(CC)oc2ccccc12 338879513 FHPQZINKMKOMPJ-UHFFFAOYSA-N 273.376 3.630 30 20 CHED C=CCOCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 338888595 SUOGGTKCFTWQQI-BBRMVZONSA-N 275.392 3.570 30 20 CHED CC(C)(C)CCCCC(=O)N(CCC#N)CC1CC1 341591292 NULZRINKHCAYHS-UHFFFAOYSA-N 264.413 3.745 30 20 CHED C=CCN(CC=C)Cc1cc(C)c2ncccc2c1 346205120 LECBSSRYJIQCIV-UHFFFAOYSA-N 252.361 3.717 30 20 CHED CC(C)CN(Cc1ccc(F)cn1)c1ccc(C#N)cc1 346405116 CMPQWTSESAZHTA-UHFFFAOYSA-N 283.350 3.755 30 20 CHED C=C(CC)CN[C@@H](C)c1cnn(Cc2ccccc2)c1 348342169 LBMOJLZCLYODPM-HNNXBMFYSA-N 269.392 3.548 30 20 CHED COCC(C)(C)CCCN[C@@H](C)c1ccc(C#N)cc1 348342339 ZIPYBOPJVBQUMZ-AWEZNQCLSA-N 274.408 3.662 30 20 CHED C=C(C)CCc1noc(CCCc2csc(C)n2)n1 349775945 KGWHWWAITNIBBB-UHFFFAOYSA-N 277.393 3.519 30 20 CHED C=CCCCCCN(C)C(=O)CSCc1ccncc1 352265448 LAOHENUMRHEMBN-UHFFFAOYSA-N 292.448 3.520 30 20 CHED CC(C)CN(C(=O)c1sccc1C#N)C1CCCC1 353622177 ZRPXZPHVYSADAH-UHFFFAOYSA-N 276.405 3.661 30 20 CHED C=C(C)COCCN[C@@H](CCC(C)C)c1ccoc1 353625583 VZCKWKXFILCNDF-INIZCTEOSA-N 265.397 3.939 30 20 CHED CCCN(CCCC#N)[C@@H]1C[C@@H](OCC)C12CCCC2 354462096 RJOSHKXURGMECW-HZPDHXFCSA-N 278.440 3.740 30 20 CHED C[C@@H]1CCN(Cc2ccc(C#N)cc2F)CC12CCC2 357023690 LNPNWOCOOARPLW-CYBMUJFWSA-N 272.367 3.709 30 20 CHED C=CCC1(C(=O)N2CCC[C@@H](Oc3ccccc3)C2)CCC1 358753684 QILLDAJHKGPAOH-QGZVFWFLSA-N 299.414 3.803 30 20 CHED C=C(C)CSCc1ccc(Cl)cc1-n1cncn1 359126755 WXIMFZFZXSVPHA-UHFFFAOYSA-N 279.796 3.730 30 20 CHED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 360568085 JFBZWOUSVYTRAH-ZWNOBZJWSA-N 295.329 3.507 30 20 CHED CC(C)=CCN[C@H]1CCCCc2cc(C#N)ccc21 360882368 DPNUVVPGSQYQMT-KRWDZBQOSA-N 254.377 3.882 30 20 CHED N#Cc1ccc(Sc2nccc(C(F)(F)F)n2)c(F)c1 361297119 QKHGNOBXWZZGLH-UHFFFAOYSA-N 299.252 3.657 30 20 CHED C=C[C@H]1CCCCN1c1nccc2ccc(F)cc12 362843630 QRPJCQWZUSZWAL-AWEZNQCLSA-N 256.324 3.919 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 373495488 MZEHDIHCECLCCB-HOCLYGCPSA-N 290.382 3.679 30 20 CHED CC[C@@H](C)[C@@H](CNc1ccc(C#N)c(Cl)c1)OC 381287508 MULLRGOKNPEHMT-QMTHXVAHSA-N 266.772 3.685 30 20 CHED CCCCCCC[C@@H](C)N[C@H](C)c1csnn1 398223501 DENNAMZQUQALOT-VXGBXAGGSA-N 255.431 3.938 30 20 CHED N#Cc1ccc(OCCc2c(F)cccc2F)cc1F 402033819 GMFPRHAPEXQNLP-UHFFFAOYSA-N 277.245 3.597 30 20 CHED CC(C)CCN(Cc1ccc(C#N)c(F)c1)C1CC1 404257274 MOQCRZUMIAGPHN-UHFFFAOYSA-N 260.356 3.708 30 20 CHED N#Cc1ccc(CN[C@H]2CCC[C@@H](C3CC3)C2)cc1F 404688997 QRNZFAHYBSSBCM-ZBFHGGJFSA-N 272.367 3.756 30 20 CHED N#Cc1ccc(N2CCC3(CC2)CC3(F)F)c(Cl)c1 404932728 JXQPUKMPBJFBLA-UHFFFAOYSA-N 282.721 3.837 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCCCC(C)(C)C 410839143 YZVGROYCDSRPEM-CYBMUJFWSA-N 252.402 3.744 30 20 CHED C[C@@H](C#N)N(C)C(=O)C1(C2CCCCC2)CCCCC1 410883176 LZZORYVRRFDXPB-AWEZNQCLSA-N 276.424 3.888 30 20 CHED C[C@H](CCC#N)N1CCc2cc(-c3ccccc3)oc2C1 411386837 LSVMLAGJKVZHQZ-CQSZACIVSA-N 280.371 3.997 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCSC2(CCC2)CC1 411867040 IKIZLCXCVFWLQD-AWEZNQCLSA-N 286.444 3.981 30 20 CHED N#Cc1ccc(SCCC2(C#N)CCCCC2)nc1 412988665 LSVFWBIOJAAGQG-UHFFFAOYSA-N 271.389 3.910 30 20 CHED C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)[C@@H](C)[C@H]1C 418133749 NVXIWBQKGZPEFF-PMPSAXMXSA-N 286.419 3.845 30 20 CHED CCCCc1nc(COc2ccc(C#N)cc2Cl)no1 424093964 SXPZDMVRIHQLEL-UHFFFAOYSA-N 291.738 3.516 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F 424760788 VSGSISLDZCBHAT-SWLSCSKDSA-N 293.382 3.620 30 20 CHED Clc1ccc(C#CCn2cnc3ccccc32)cc1 426396224 MFCBYZLRWXBEAP-UHFFFAOYSA-N 266.731 3.741 30 20 CHED C[C@@H]1C[C@@H](Nc2nc3c(cc2C#N)CCCC3(C)C)CCO1 428149160 BVPMOMIFDVUOFB-DOMZBBRYSA-N 299.418 3.547 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(N2CCCCC2)nc1 429862961 BWQLGYTYZRUAQQ-UHFFFAOYSA-N 287.407 3.613 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCC1(CC#N)CC1 430187264 QFFDPXPMOASUGR-ZIAGYGMSSA-N 291.439 3.584 30 20 CHED C=CCOCCCN1CC[C@H](c2ccc(CC)cc2)C1 433082335 KIYSOBAGSVECEO-SFHVURJKSA-N 273.420 3.631 30 20 CHED CC(C)CCN(CCC#N)c1ncnc2cccc(F)c12 434954995 LZXFSGRPCWGGJN-UHFFFAOYSA-N 286.354 3.535 30 20 CHED C=CCC[C@@H](NC(=O)c1ncccc1C)c1ccccc1 435278641 GQHSRDCYPZMXMH-MRXNPFEDSA-N 280.371 3.827 30 20 CHED Cc1cc(CN(C)C(=O)Nc2cccc(C#N)c2)ccc1F 435917408 QIUOHDHPZKFNCP-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CCCCOCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 437096584 YKYMHXQUKOFGSF-QZTJIDSGSA-N 286.419 3.575 30 20 CHED C=CCC[C@@H](NC[C@@H](C)Oc1ccc(OC)cc1)C1CC1 438989867 GEEGBKARZHDXME-RDTXWAMCSA-N 289.419 3.797 30 20 CHED C=CCC[C@@H](C)Nc1cc(C(=O)NCC2CC2)ccc1C 439078085 OSVCZKGYKHEZNL-CQSZACIVSA-N 286.419 3.901 30 20 CHED COc1cc(CN2C[C@H](C)CCC[C@H]2C)ccc1C#N 442884354 KCTLBUWSARRVDQ-ZIAGYGMSSA-N 272.392 3.577 30 20 CHED Cc1cc(CNC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)ccc1C#N 443998032 NXZIFOXWSPOZJE-AQNXPRMDSA-N 288.394 3.542 30 20 CHED CC(C)C[C@@H]1OCCC[C@@H]1NCCCCC(C)(C)C#N 444678959 LJPPXCYWEIFUAK-HOTGVXAUSA-N 280.456 3.890 30 20 CHED C=CC[C@H]1N(C(=O)NCCc2ccco2)CCCC1(C)C 444889879 OKKNKHSFIWWDCL-OAHLLOKOSA-N 290.407 3.598 30 20 CHED CC[C@H](N[C@@H]1COc2ccc(F)cc21)c1ccc(C#N)cc1 447600605 NBZPFRBZNVJGSO-DLBZAZTESA-N 296.345 3.872 30 20 CHED CC(C)[C@H]1CN(c2ncccc2C#N)c2ccccc21 447680903 TWLCPRXJHFGMHT-OAHLLOKOSA-N 263.344 3.845 30 20 CHED CC(C)O[C@H]1C[C@H](NC2CCC(C)(C#N)CC2)C1(C)C 449251917 RIZBYCJIRDNUMA-GWUWNPHMSA-N 278.440 3.641 30 20 CHED C=C(C)CCN[C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 449472848 GICYVLUCSNOCJN-KBPBESRZSA-N 277.408 3.752 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1ccc(F)c(Cl)c1Cl 449521468 RUAXEAUWWVZMJS-MNOVXSKESA-N 290.165 3.566 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nn1C 450425128 MHJXCAICPIGGQX-CQSZACIVSA-N 297.402 3.562 30 20 CHED N#Cc1c(Cl)cccc1NCC[C@@]1(O)C[C@H]2CC[C@H]1C2 450539608 LUWZPJVIAUXQOT-MQIPJXDCSA-N 290.794 3.565 30 20 CHED COC[C@H](c1ccc(Cl)cc1)N(C)CC1(C#N)CCC1 450871213 GJWPXYRUCRVGSR-OAHLLOKOSA-N 292.810 3.653 30 20 CHED C=CCC1(C(=O)N2CC[C@](CO)(CCC)C2)CCCCC1 451832474 XNICYDOQEKXZQS-QGZVFWFLSA-N 293.451 3.524 30 20 CHED N#CCCCCN1CCC(Cc2c(F)cccc2F)CC1 451960660 QIWWDRXMPBFWLE-UHFFFAOYSA-N 292.373 3.913 30 20 CHED CC(C)CC(CC(C)C)C(=O)N[C@@]1(C#N)CC1(C)C 452165709 QVNOCPKDQJGYEM-MRXNPFEDSA-N 264.413 3.503 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CCCC2=O 452315236 VPBQYBNXGLFEDV-UHFFFAOYSA-N 283.371 3.913 30 20 CHED C=CC(C)(C)CN[C@H]1CCc2c1ccc(OC)c2F 453312713 VUIBTEDOPUDHHU-ZDUSSCGKSA-N 263.356 3.623 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](c1ccccc1)C1CC1 454199956 LFWHPSHCUSQFPK-OAHLLOKOSA-N 272.392 3.649 30 20 CHED N#CCc1cccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 455923122 SKVCDIZNJLPJMY-SJORKVTESA-N 297.402 3.843 30 20 CHED C=CCN(CC=C)Cc1cc(Cl)c(O)c(OCC)c1 459296073 MVMMOSOSIWAFJD-UHFFFAOYSA-N 281.783 3.618 30 20 CHED C=Cc1ccc(CCNc2nccc(C)c2C#N)cc1 461864514 DVEXAANKESNSOQ-UHFFFAOYSA-N 263.344 3.559 30 20 CHED Cc1ccc(CSCCN[C@H]2CCC[C@@H](C#N)C2)cc1 463286433 VEXCOOYWYAJYOW-SJORKVTESA-N 288.460 3.900 30 20 CHED N#Cc1cc(CN2CC[C@H](Cc3ccccc3)C2)ccc1F 468272690 NZMRSGQRGNVOST-QGZVFWFLSA-N 294.373 3.762 30 20 CHED CN(Cc1ccccc1C#N)C(C)(C)CN1CCCCCC1 469798171 SBZKTOGOEWTFHO-UHFFFAOYSA-N 299.462 3.645 30 20 CHED C=CCOCCCN[C@@H](C)[C@H](OC)c1ccccc1Cl 470774368 SLOBYHAWICROIG-BBRMVZONSA-N 297.826 3.598 30 20 CHED Cn1cc(CNCC(C)(C)C2=CCCCC2)cc1C#N 480258029 RATYZUOEPRLNAY-UHFFFAOYSA-N 271.408 3.513 30 20 CHED CC(C)(C#N)CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C 480565704 APSKXIMHJMVAJK-AWEZNQCLSA-N 287.407 3.623 30 20 CHED CC(C)CN(CCC1CC1)Cc1ccc(C#N)cc1 480782525 AGGWUGMHEPLCPH-UHFFFAOYSA-N 256.393 3.816 30 20 CHED C[C@H](CN(C)Cc1ccc(C#N)c(F)c1)c1ccccc1 483590796 IHWYQTLZLGRLHC-CQSZACIVSA-N 282.362 3.933 30 20 CHED C=C[C@@H]1CCCCN1c1nnc(Cc2ccccc2)s1 486495904 HKNFXQJYNVDSEY-CQSZACIVSA-N 285.416 3.674 30 20 CHED C=C(C)CN(C)C(=O)N[C@H]1CCC[C@@H]1CCC(C)C 486937495 QSFKJDPEHBUNPC-CABCVRRESA-N 266.429 3.809 30 20 CHED COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1F 487653721 LHRFNMAUXBVMON-ZDUSSCGKSA-N 298.361 3.899 30 20 CHED CCC(C)(C)C(=O)COc1c(C#N)cnc2ccc(C)cc12 488267435 RZELVHJQFUECMD-UHFFFAOYSA-N 296.370 3.799 30 20 CHED C=C[C@H]1CCCCN1C(=O)CSCc1ccc(C)cc1 488842331 RYOYKPHSTLCMGU-INIZCTEOSA-N 289.444 3.795 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@H]1SCCc2sccc21 488880389 QOVSAZDNBWUEGF-FZMZJTMJSA-N 293.457 3.646 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cccc(OC(F)(F)F)c1 488884785 UPNUACFFOKBWOM-GFCCVEGCSA-N 299.292 3.766 30 20 CHED C=CCn1cccc1C(=O)N(C)C1CCC(C)(C)CC1 489034025 BKFHMHXFSYIKJV-UHFFFAOYSA-N 274.408 3.715 30 20 CHED C=C[C@H]1CCCCN1C(=O)/C=C/SCc1ccco1 493754853 MFGAOBOJUTWOCY-YKWSONSWSA-N 277.389 3.594 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1cc(C#N)ccc1OC 494132038 KBFSRRDIJSVUBA-CYBMUJFWSA-N 274.364 3.722 30 20 CHED C=CCN(CCc1ccco1)Cc1ccc(Cl)o1 495093216 ZWWCOQGDQKUQPZ-UHFFFAOYSA-N 265.740 3.757 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 495617397 GPEGLRBJMAVMNG-CYBMUJFWSA-N 275.392 3.904 30 20 CHED C=CCCCCN1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 496834131 BBCZWOBAEPGOJB-CABCVRRESA-N 296.455 3.578 30 20 CHED COc1cc(OCc2sccc2Cl)ccc1C#N 506414199 CNPZYDDHLSBCIW-UHFFFAOYSA-N 279.748 3.861 30 20 CHED C=CCOc1ccc(CN2CC[C@H](C)C2)cc1Cl 511974209 TVOLHPUZMHJPRY-LBPRGKRZSA-N 265.784 3.747 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCCSC(C)C 512476417 BHUUGVHRQIUCKV-UHFFFAOYSA-N 292.448 3.526 30 20 CHED C=C(C)CN(CC)C(=O)NCC[C@H]1CCCC[C@@H]1C 512808782 RGPITKDVAQZFFC-LSDHHAIUSA-N 266.429 3.810 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C)cc(Cl)c1 515374388 QVCKDRIQBCVSKN-HOCLYGCPSA-N 279.811 3.719 30 20 CHED C=CCCCCSCc1nc([C@@H](C)OCC)no1 518501255 JEIFYWXJEABNCK-LLVKDONJSA-N 270.398 3.757 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 523961800 DUFSYNFKSHFDEA-ZLKJLUDKSA-N 297.320 3.890 30 20 CHED COc1cccc([C@@H]2CN([C@H]3CC[C@H](C#N)C3)CC2(C)C)c1 528626786 RNTALGUMCUKQJM-ZVZYQTTQSA-N 298.430 3.813 30 20 CHED CCN(Cc1c(F)ccc(F)c1Cl)C[C@@H](C)C#N 529524732 HUQGSHZPRTZYBY-VIFPVBQESA-N 272.726 3.600 30 20 CHED CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCC(C)(C)C1 530319968 WVVKSIYBWHIEFN-CYBMUJFWSA-N 290.794 3.862 30 20 CHED C=CCN(CC1CCCCC1)C(=O)C[C@@H](C)SC 533802407 RAVHYCSXNWJESG-CYBMUJFWSA-N 269.454 3.723 30 20 CHED CC[C@H]1CN(c2cnccc2C#N)CC[C@@H]1c1ccccc1 536684894 GYYLHUWUKUCASL-YJBOKZPZSA-N 291.398 3.973 30 20 CHED CO[C@@H]1CCC[C@@H]1CNc1ccc(C#N)cc1C(F)(F)F 539234778 UDGBMNXLHVYIHX-BXUZGUMPSA-N 298.308 3.804 30 20 CHED C=CC[C@@H](CO)CN[C@H](C)c1ccc(C(F)(F)F)cc1 540396859 JNNQAOZXQXHFOD-VXGBXAGGSA-N 287.325 3.541 30 20 CHED C=CCCC[C@H](C)NC(=O)NCCc1sccc1C 540485622 LOBSUOKRTVAKRX-ZDUSSCGKSA-N 280.437 3.643 30 20 CHED C=C(CC)CN1CCC(CCCN(CC)CC)CC1 542947525 FITBKAMQEZHJTJ-UHFFFAOYSA-N 266.473 3.787 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCCCC#N)cc1 543380163 RKNJWIBALXREKZ-IRXDYDNUSA-N 299.418 3.576 30 20 CHED CC1CC(C#N)(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 546197290 COBGRBRSTLBYBB-SHYRYGCCSA-N 296.414 3.682 30 20 CHED CC(C)CCO[C@@H]1CCCC[C@H]1NCCC(C)(C)C#N 553893404 GYLSROKXPWVHEE-HZPDHXFCSA-N 280.456 3.890 30 20 CHED C=CCOc1ccc(OCCCO[C@H]2CCCCO2)cc1 568131245 UISLYWHVIAKFBB-KRWDZBQOSA-N 292.375 3.564 30 20 CHED Cc1csc(NC(=O)N(C)[C@@H](C)C2(C)CC2)c1C#N 570293035 VPUWYGWTCNDDJS-JTQLQIEISA-N 277.393 3.581 30 20 CHED C[C@@H](Nc1ccc(F)cc1C#N)[C@@H](c1ccccc1)N(C)C 570671922 BHHPSQMMWKRJEP-ACJLOTCBSA-N 297.377 3.801 30 20 CHED C=CCn1c(CC)nnc1N1CCCC[C@H]1c1ccccc1 570761880 XBCVZHUJVYLBKL-INIZCTEOSA-N 296.418 3.758 30 20 CHED CCC[C@@H](C(=O)Nc1scc(C)c1C#N)C(C)C 571003299 NORBJAYZDFYFCF-LLVKDONJSA-N 264.394 3.939 30 20 CHED N#CC1(CCn2nc(C3CC3)nc2C2CC2)CCCCC1 571626570 RRUQENGDAQXWJC-UHFFFAOYSA-N 284.407 3.897 30 20 CHED Cc1cccc([C@@H](C)CNC(=O)[C@]2(C#N)CC23CCCC3)c1 572233274 RYJDJGMYZNKRPP-HNAYVOBHSA-N 296.414 3.689 30 20 CHED CC(C)[C@H]1C[C@@H](NC(=O)[C@]2(C#N)C[C@H]2C)c2ccccc21 574031586 YVIIDAYEIRYQSX-YMCQQKJTSA-N 282.387 3.537 30 20 CHED C=CCOCCN[C@@H](C)c1cc2cccc(OCC)c2o1 574294555 PGMFYTPUCYJVJR-ZDUSSCGKSA-N 289.375 3.685 30 20 CHED CC(C)(CCNC(=O)[C@H](C#N)CCc1ccccc1)C1CC1 574667718 OVWIXFQXOLBOFO-INIZCTEOSA-N 298.430 3.701 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)NCc1ccc(C#N)cc1 581727820 NHFKLOYKYWORBR-HNNXBMFYSA-N 284.403 3.947 30 20 CHED CN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1cccc(C#N)c1 581871380 HSIMYKMCSBXNEX-MJGOQNOKSA-N 290.366 3.715 30 20 CHED N#Cc1nn(CCC2(C#N)CCCCC2)c2ccccc12 581930372 BBHOEOXTDGSFQN-UHFFFAOYSA-N 278.359 3.772 30 20 CHED C=CCC[C@H](N[C@H]1COc2c(C)cccc2C1)C1CC1 583782525 OSWGFTVEMDJHIV-SJORKVTESA-N 271.404 3.633 30 20 CHED C=CCN(C)C(=O)/C=C\c1ccccc1O[C@@H](C)CC 588524646 YWLLLOGFAXRWSV-NYHXXUGCSA-N 273.376 3.522 30 20 CHED CCCC[C@@H](NC(=O)CCCCCC#N)C1CCC1 588644284 MWTUQDWCBXECHL-OAHLLOKOSA-N 264.413 3.936 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2c(C)oc(C)c2C)cc1 589900953 UXBWNNZZKRLDCB-MRXNPFEDSA-N 296.370 3.762 30 20 CHED CC[C@@H](NC(=O)NCC(C)(C)CC#N)C1CCCCC1 590921960 GYRKHOGYYVKBIL-CQSZACIVSA-N 279.428 3.584 30 20 CHED CC(=O)N1CCCc2cc(-c3ccc(C#N)s3)ccc21 592988240 IHOOVPLFNDXPLK-UHFFFAOYSA-N 282.368 3.586 30 20 CHED CC[C@H](C#N)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 593445221 GFHGTTAMIIIGDQ-VHSXEESVSA-N 299.201 3.763 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@H](OC2CCC2)C1 594594285 NCOMIHXYHSWXHD-HNNXBMFYSA-N 290.794 3.750 30 20 CHED N#Cc1ccc(CCN[C@H]2CCc3c(F)cc(F)cc32)cc1 594712648 VDGKAPMGWJSWEU-SFHVURJKSA-N 298.336 3.656 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC3(C=Cc4ccccc4O3)CC2)C1 595876291 BACACNSVNCRILT-NVXWUHKLSA-N 294.398 3.619 30 20 CHED Cc1cc(C#N)ccc1COc1cccc2c1OCCCO2 596304021 YVOFCTAMBCGZMF-UHFFFAOYSA-N 295.338 3.607 30 20 CHED N#CC1(c2ccc(-c3ccc(F)cc3CO)s2)CCC1 596646768 NTBDLVTXTWLYSQ-UHFFFAOYSA-N 287.359 3.992 30 20 CHED Cc1ccccc1C1(NC(=O)CC2(C#N)CCCCC2)CC1 597808180 QRLGEXDYOWBYEG-UHFFFAOYSA-N 296.414 3.965 30 20 CHED CC[C@@H](C)N(CC)C(=O)C[C@@H](CC#N)c1ccccc1 597855629 LHAWLKZHRFURBQ-GDBMZVCRSA-N 272.392 3.721 30 20 CHED CC(C)C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1 598600714 PYNWEQRCFIGXDU-IRXDYDNUSA-N 288.435 3.664 30 20 CHED CC(C)(C#N)CCCOc1ccc(Cl)c(CO)c1 600674223 FCOGYIFLLXNBJZ-UHFFFAOYSA-N 267.756 3.541 30 20 CHED N#Cc1cc(F)cc(NCc2cccc3[nH]ccc23)c1 600861872 PTKDBPCXSSSXOH-UHFFFAOYSA-N 265.291 3.791 30 20 CHED CCN(CC)C(=O)[C@H](C)Sc1ccc(Cl)cc1C#N 601914900 YYRDBVYRZLDANK-JTQLQIEISA-N 296.823 3.561 30 20 CHED C[C@H](CCC#N)CN[C@H]1CCC[C@@H]1Cc1ccccc1 602560364 SWCPWBQKBMIISN-NXHRZFHOSA-N 270.420 3.927 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)CCc1ccc(C)c(Cl)c1 604352976 LPFURJPQHUFPMX-LBPRGKRZSA-N 292.810 3.589 30 20 CHED C[C@H](C(=O)N(C)C[C@@H](C)C#N)c1c(Cl)cccc1Cl 604572978 HRAOGZHOOKZJAS-UWVGGRQHSA-N 299.201 3.715 30 20 CHED CC(C)(C)c1nccc(Sc2ccc(C#N)cc2)n1 610515163 JMJVCUBUJSDPCM-UHFFFAOYSA-N 269.373 3.797 30 20 CHED N#Cc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)[nH]1 611029394 FCMCACGARDKPFF-UHFFFAOYSA-N 299.333 3.714 30 20 CHED CCc1cccc(CC)c1NC(=O)N1CCC[C@@](C)(C#N)C1 612292446 YPIGYRQESNTSBW-SFHVURJKSA-N 299.418 3.969 30 20 CHED CC[C@H]1CC[C@H](C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 618734178 RGTXKHIADIAGRU-YEWWUXTCSA-N 296.414 3.878 30 20 CHED CC(C)[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)CS1 618831487 UDSROCUPFYOIQV-UAGQMJEPSA-N 286.444 3.665 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1c(F)cccc1F 620858192 ZPSXEARKZXLWJR-NSHDSACASA-N 281.346 3.929 30 20 CHED C=C[C@H]1CCCCN1c1ncc(Br)cc1F 624164650 AYYKSRWJPCHZFM-JTQLQIEISA-N 285.160 3.528 30 20 CHED CC#CCCNC(=O)[C@@H](CCC)c1cccc(Cl)c1 626388163 DIFXXXCPXKCOOA-HNNXBMFYSA-N 277.795 3.753 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ccc(C(=O)CC)cc1 626730319 LCFNGXXGFZPOKG-UHFFFAOYSA-N 274.364 3.613 30 20 CHED C=CCC1(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CCCC1 628112797 ZIIXBNHNEYKGKS-YESZJQIVSA-N 281.399 3.577 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cnn([C@H](C)c2ccccc2)c1 646453441 PWLLTEANJIQCTP-ZIAGYGMSSA-N 298.390 3.579 30 20 CHED C=CCCNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 657582881 LKDNUNUAOMXPCG-UHFFFAOYSA-N 295.308 3.557 30 20 CHED C=CCN(CC1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C 661757054 CJDNIXYFXZMWAY-UHFFFAOYSA-N 294.483 3.558 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@H]1CCc2ccccc21 678881349 GVRJLUCWINLYGN-HOCLYGCPSA-N 271.404 3.968 30 20 CHED CCC#C[C@H](C)N1CCO[C@@H](c2cccc(Cl)c2)C1 681032303 MJXNCTHKXWFGNC-XJKSGUPXSA-N 277.795 3.515 30 20 CHED C=C[C@H](C)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 685425282 KAQFBCINVAGLAY-MNOVXSKESA-N 257.299 3.973 30 20 CHED CCn1c(C)cc(C=NNc2cnc3ccccc3n2)c1C 728226550 SPONLESUPCUZCP-UHFFFAOYSA-N 293.374 3.514 30 20 CHED Cc1cccc2c1C/C(=C/c1cccc(F)c1)C2=O 729149992 HPXOGPJREQMRKJ-JYRVWZFOSA-N 252.288 3.957 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H](N(C)C)C1 729627042 GYCZFCTUOUJZBU-INIZCTEOSA-N 282.472 3.680 30 20 CHED C[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 729641822 YTQZSEDSSYUMPQ-DUZNOGIESA-N 282.727 3.561 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CCC(C)C)C(C)(C)C)nc1 734398410 CRBJKYHLKSESSW-MRXNPFEDSA-N 286.419 3.644 30 20 CHED Cc1ccc(F)c(/C=C\C(=O)c2ccc(C(=O)O)s2)c1 734981023 MCVZEIRIUOMGTH-HYXAFXHYSA-N 290.315 3.790 30 20 CHED CCCCCCCCC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 741979603 PFXXROLLVRCDKF-ZIAGYGMSSA-N 251.414 3.851 30 20 CHED C#CCOc1ccc(F)cc1NCc1cccc(OCC)c1 742376965 JHZXCTXOOVXEKG-UHFFFAOYSA-N 299.345 3.849 30 20 CHED C=CCOCCCC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 742581357 BCULQQLHZPFZKU-CVEARBPZSA-N 295.467 3.938 30 20 CHED Fc1ccc(F)c(C=NNc2cc(F)c(F)c(F)c2)c1 747642580 QKJWGLIMSVIXKH-UHFFFAOYSA-N 286.203 3.828 30 20 CHED COc1cccc(C(C)(C)C/N=C\c2cccc(O)c2O)c1 749581798 GSWXPYAQSFPJLK-ODLFYWEKSA-N 299.370 3.503 30 20 CHED CC(=NNC1CCCC1)c1sc(C(C)C)nc1C 751132684 HKWNFCBOYKEGNZ-UHFFFAOYSA-N 265.426 3.831 30 20 CHED CC[C@H](C#N)OC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 753552232 AQUJBRPQWFTTCT-HZSPNIEDSA-N 271.360 3.821 30 20 CHED CCC[C@@H]1CCCCN1Cc1ccc(OCC#N)cc1 755244839 JUDVTMXUNJWBGP-MRXNPFEDSA-N 272.392 3.744 30 20 CHED CC(C)(C=NNc1ncccc1C(F)(F)F)CCC#N 755643459 RDMQECJNCMDGKH-UHFFFAOYSA-N 284.285 3.828 30 20 CHED c1ccc(CC(=NO[C@H]2CCCCO2)C2CC2)cc1 755813373 FDCMIORRSXDCST-INIZCTEOSA-N 259.349 3.538 30 20 CHED Fc1ccc(C=NO[C@H]2CCCCO2)cc1C(F)(F)F 755813807 JAEIFXJKZQGTFJ-LBPRGKRZSA-N 291.244 3.722 30 20 CHED COc1ccc([C@@H](C)C(C)=NO[C@@H]2CCCCO2)cc1 755820533 WNWIRLLGLAIOAS-BLLLJJGKSA-N 277.364 3.718 30 20 CHED FC(F)(F)c1csc(NN=CC2CCCC2)n1 755904523 PBILVVMWLULFEU-UHFFFAOYSA-N 263.288 3.750 30 20 CHED C#CC[C@H](N[C@H](C)c1cc(F)ccc1O)c1ccccc1 756776772 RFPMFFWXSHKKNO-DYVFJYSZSA-N 283.346 3.947 30 20 CHED CC(=NN=c1cc[nH]cc1Cl)C1CCCCC1 756844475 PVDIQFNDKLQOTO-UHFFFAOYSA-N 251.761 3.525 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1cc(F)ccc1O 757468978 WXKWFETXSIGFID-GORDUTHDSA-N 278.229 3.706 30 20 CHED Brc1cncc(NN=C2CCCCCC2)c1 758121200 ZRNXZQFBJBBQMA-UHFFFAOYSA-N 282.185 3.966 30 20 CHED N#Cc1ccc(Cl)cc1OC[C@H]1CC1(Cl)Cl 761867444 SZWLIRRHYNJQQD-MRVPVSSYSA-N 276.550 3.784 30 20 CHED C#CCCc1noc(C(C)(C)c2cccc(Cl)c2)n1 762010845 BDDLDJDDLCKFFC-UHFFFAOYSA-N 274.751 3.615 30 20 CHED COC(=O)c1coc(/C=C\C(=O)c2ccc(Cl)s2)c1 763171226 LTFKWGMJZSHQKJ-IHWYPQMZSA-N 296.731 3.677 30 20 CHED N#Cc1ccc(-c2ccn(C/C(Cl)=C/Cl)n2)cc1 763187540 CNJUIJKGFGHJAW-GHXNOFRVSA-N 278.142 3.741 30 20 CHED CC1(C)CCc2cc(C=NOCC(F)(F)F)ccc2O1 764834192 ASEYGORUYDJHSZ-UHFFFAOYSA-N 287.281 3.703 30 20 CHED C#CCCCN(Cc1cccc(Br)c1)C1CC1 766896405 NXRXGBADKPFREF-UHFFFAOYSA-N 292.220 3.827 30 20 CHED Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)c(C)o1 767374605 VEJHXDBFCBLEPJ-LBPRGKRZSA-N 254.333 3.619 30 20 CHED COC(=O)c1ccc(C(=O)/C=C/c2cccc(C)c2)cc1 767728761 HBVNRPJUXUTIOA-IZZDOVSWSA-N 280.323 3.678 30 20 CHED C#C[C@H](C)N(C)Cc1csc(C2CCCCC2)n1 769961960 UEFUKSUCHSAUGK-LBPRGKRZSA-N 262.422 3.644 30 20 CHED CCOc1cccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c1 770572352 FWCIZCDXQHWWHQ-VQHVLOKHSA-N 295.313 3.992 30 20 CHED CCn1ccnc1SCC#Cc1cccc(Cl)c1 772841846 WRXQIKFWZMJUFI-UHFFFAOYSA-N 276.792 3.700 30 20 CHED C#C[C@@H](C)NC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 772977275 UJPFCYDCCHQWEP-LLVKDONJSA-N 287.359 3.614 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ccc(C(F)(F)F)nn1 773211089 ZARQVGVGUATQIS-MNOVXSKESA-N 298.312 3.886 30 20 CHED Cc1nc(-c2ccccc2)sc1C(=O)OCC1(C#N)CC1 775842192 DWDKQBQFOAKTEU-UHFFFAOYSA-N 298.367 3.579 30 20 CHED CC(C)CNN=Cc1ccc(Cl)c(Br)c1 776187784 ZAUSNADEHYFSGY-UHFFFAOYSA-N 289.604 3.682 30 20 CHED CCc1cnccc1C(=O)/C=C\c1c(OC)cccc1OC 776192265 NJXRCHHLOPNYLG-HJWRWDBZSA-N 297.354 3.557 30 20 CHED O=C(/C=C/c1cccc(Cl)c1F)c1cscn1 776193437 YQXBWSCNTDIBBP-SNAWJCMRSA-N 267.712 3.832 30 20 CHED C=CCCCC[C@@H](C)NCc1nc2c(s1)CCC2 776254741 LGQVOPSDLHAQOV-GFCCVEGCSA-N 264.438 3.856 30 20 CHED CC(C)[C@@H]1CC(=NN[C@@H](C)c2ccccc2)CCO1 776765476 AGAXGAGFFNLAFR-BBRMVZONSA-N 260.381 3.528 30 20 CHED C=C(C)CNC(=S)N[C@H](CC1CCC1)c1ccccc1 777921836 FRTHGOKIMHKLAZ-MRXNPFEDSA-N 288.460 3.958 30 20 CHED N#CC1(COC(=O)C[C@@H]2CCc3ccccc3C2)CCCC1 780530948 XGJIWSLOZNCJEM-OAHLLOKOSA-N 297.398 3.809 30 20 CHED CC(C)(C)CCCOC(=O)Cc1ccccc1CC#N 781206955 YKYKNJKCHLYGEL-UHFFFAOYSA-N 273.376 3.665 30 20 CHED Cc1ccc2oc(C(=O)OCCCC(C)(C)C#N)cc2n1 783493541 SWXLVHPOEORGSY-UHFFFAOYSA-N 286.331 3.623 30 20 CHED Cc1cc(COC(=O)CCCC(F)(F)F)ccc1C#N 784492864 ILSWKVBOZCOSOF-UHFFFAOYSA-N 285.265 3.643 30 20 CHED N#Cc1cccc(C(=O)OCc2cccc(Cl)c2F)c1 786268366 LXIYXDDGVOFZPU-UHFFFAOYSA-N 289.693 3.708 30 20 CHED CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCCC(C)(C)C#N 786344146 LDAPAHVNYCQWQD-KFWWJZLASA-N 295.423 3.843 30 20 CHED O=C(/C=C\c1ccc(F)c(Cl)c1)c1cncs1 787168019 HAWQXEBKQLIYDC-RQOWECAXSA-N 267.712 3.832 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1csc(Cl)c1 787186716 SICHKZBCGNIHII-ARJAWSKDSA-N 266.753 3.638 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)c1ccc(C)o1 787946097 ZQJHBBLETFLFKG-ZDUSSCGKSA-N 276.380 3.622 30 20 CHED Cc1ccc(CC(=NOC[C@H]2CCOC2)C(C)C)cc1 788030868 RHIORZPSQQPYOW-INIZCTEOSA-N 275.392 3.603 30 20 CHED C#CCC1(C(=O)N(CC)Cc2ccoc2)CCCCC1 788442827 KJFMUIUUIMLTJM-UHFFFAOYSA-N 273.376 3.602 30 20 CHED CC1(C)Cc2cccc(N=Cc3cccc(O)c3O)c2O1 788675506 WDQMNQYNRFNKIY-UHFFFAOYSA-N 283.327 3.562 30 20 CHED C[C@@H](C=NNCC(F)(F)F)c1ccc(C(F)(F)F)cc1 789051780 XGFTVCAXJIWAAV-QMMMGPOBSA-N 298.230 3.947 30 20 CHED CCCCCCCCn1ccc2ccn(C)c2c1=O 790505892 JTEFTGDULGSIQS-UHFFFAOYSA-N 260.381 3.701 30 20 CHED C=CCCCCCC(C)=NNc1ncncc1F 793212340 YRYGMOOYDLITOS-UHFFFAOYSA-N 250.321 3.540 30 20 CHED C=CCCCCC[C@@H](C)NCc1ccccc1CO 793521705 LOALTBZRDWWSKM-OAHLLOKOSA-N 261.409 3.794 30 20 CHED CCC(CC)(C/N=C/c1cc(Cl)ccc1O)OC 793666570 GYFPORQAKUHIHB-CXUHLZMHSA-N 269.772 3.670 30 20 CHED FC(F)(F)CCNN=Cc1c[nH]c2cc(Cl)ccc12 794550708 JDBBVWFGJKKCQP-UHFFFAOYSA-N 289.688 3.697 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNCCC(F)(F)F 794553715 XGRPXNHWPQJBFK-JTQLQIEISA-N 252.324 3.977 30 20 CHED CSCCON=C(C)c1ccc(C(C)C)cc1 794571741 GMSCIYLSXQDHKX-UHFFFAOYSA-N 251.395 3.914 30 20 CHED O=C(O)c1ccc(NN=C2CCC[C@@H]2c2ccccn2)cc1 794856569 JFAOJYYFULTOAD-CQSZACIVSA-N 295.342 3.515 30 20 CHED FCC[C@H]1CCCC1=NNc1ncccc1Cl 794898154 YRYFKGIUIFXDQA-SECBINFHSA-N 255.724 3.663 30 20 CHED Cc1cc(C)c(/C=C2/CCc3nn(C)cc3C2=O)c(C)c1 794962704 VHBGJVFUBHPTDC-ZROIWOOFSA-N 280.371 3.558 30 20 CHED CCCC(CCc1ccccc1)=NOCCCOC 795042774 YEUDUHWVOJRJCH-UHFFFAOYSA-N 263.381 3.828 30 20 CHED C#CC[C@@H](OC(=O)c1ccc2oc(C)nc2c1)C(C)(C)C 796848092 YYWPYVCEZZNALM-OAHLLOKOSA-N 285.343 3.731 30 20 CHED COc1cc2c(cc1/C=C/C(=O)c1ccc(C)o1)O[C@@H](C)C2 797200383 QDXJTGBPIFEFST-FYJFLYSWSA-N 298.338 3.816 30 20 CHED CC(=NNc1ncnc(Cl)c1C(C)C)c1occc1C 797403886 BDOFICFKEWBTLH-UHFFFAOYSA-N 292.770 3.991 30 20 CHED Oc1ccccc1/C=N/C[C@H]1CCCC(F)(F)C1 800720404 COQFJKGHZJFWIP-MUOOZZNISA-N 253.292 3.637 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc2cnn(C(C)C)c2c1 806244111 XAISUORXCSLPPU-AWEZNQCLSA-N 298.390 3.541 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cccc2ccsc12 806366155 LODHWBHYRDDBDK-GFCCVEGCSA-N 272.373 3.825 30 20 CHED C=CCC[C@H](NC(=O)N1CCC[C@H]2C[C@H]21)c1ccccc1 807000959 KYIYUHBVMNXNAK-YESZJQIVSA-N 284.403 3.888 30 20 CHED Fc1ccc([C@@H]2CCCC2=NN[C@H]2CCSC2)cc1 808002416 JVIGAPWAAOKKEU-KBPBESRZSA-N 278.396 3.544 30 20 CHED C#CCCCc1nc(Cc2cccc3ccccc23)no1 809289441 SWXRWUUWTZYJDS-UHFFFAOYSA-N 276.339 3.770 30 20 CHED CC(C)Oc1cccc(C=NOC/C=C\Cl)c1 811668517 HKIDVSDTVGRTGN-AUZNDJKCSA-N 253.729 3.577 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(OC)c(O)c2)cc1 811697806 GPEDXCVWRHXDKA-NTMALXAHSA-N 282.339 3.859 30 20 CHED C#C[C@H](CC)NC(=O)N[C@H](C)c1cc2ccccc2s1 812034312 HFXUJKIEMSXKJO-DGCLKSJQSA-N 286.400 3.673 30 20 CHED CSc1ccc(C(C)=NOC2CCC2)cc1F 812236264 IMVULHFITDRRSE-UHFFFAOYSA-N 253.342 3.841 30 20 CHED CC(=NNc1ccccc1F)c1cccc([N+](=O)[O-])c1 812458508 DQNBRNNCQBNRTM-UHFFFAOYSA-N 273.267 3.570 30 20 CHED CCCCCC[C@@H](C)CC(=O)N[C@]1(C#N)CC1(C)C 813301102 YDKWADKQZMFPHR-CJNGLKHVSA-N 264.413 3.791 30 20 CHED Fc1cc(NN=Cc2ccc(Cl)o2)cc(F)c1F 814864186 SRMMYFTYKRFLBB-UHFFFAOYSA-N 274.629 3.796 30 20 CHED Fc1cc(F)cc(C2CC(=NOC3CCC3)C2)c1 814937063 SZSJFTFEEHEXJI-UHFFFAOYSA-N 251.276 3.767 30 20 CHED N#CC1(CC(=O)Nc2ccc(Cl)nc2)CCCCC1 820654253 HXWQXGSGFGKTCV-UHFFFAOYSA-N 277.755 3.538 30 20 CHED COc1cc(C(=O)/C=C/c2ccc(C(C)C)cc2)on1 821021017 AZZHTZRVHYPTRF-RMKNXTFCSA-N 271.316 3.703 30 20 CHED C=CCC(C)(C)c1noc(C(C)(C)[C@@H](N)c2ccccc2)n1 823248834 UTUOINLRFLBNAA-AWEZNQCLSA-N 299.418 3.901 30 20 CHED C=CCCCC[C@H](C)NCc1ccc(-n2ccnc2C)nc1 823676652 HAINIJVXBIRIBD-HNNXBMFYSA-N 298.434 3.800 30 20 CHED C#CC1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 831051949 IAHZIXYMSMPVNE-UHFFFAOYSA-N 270.376 3.687 30 20 CHED N#CCc1cccc(NC[C@H]2CCc3ccccc32)c1 834675041 AECGPIGVWDKCCZ-MRXNPFEDSA-N 262.356 3.895 30 20 CHED C#Cc1cccc(CN[C@@H]2CCc3cc(C)ccc32)c1 834901754 BOLHEUQARZXLQU-LJQANCHMSA-N 261.368 3.753 30 20 CHED Cc1ccccc1-c1ccccc1C=NN[C@H]1CCCOC1 834973240 USJMWOPMGLAUHZ-KRWDZBQOSA-N 294.398 3.765 30 20 CHED Cc1ccccc1C1CC(=NN[C@@H](C)C(F)(F)F)C1 835000596 KYEFFLIFQADLAN-VUWPPUDQSA-N 270.298 3.769 30 20 CHED CC(=NOC(C)C)c1cc(Cl)c(N)c(Cl)c1 835001252 XCYQBEXYTARZMM-UHFFFAOYSA-N 261.152 3.725 30 20 CHED Cc1[nH]c(C=NNc2ccc(C(C)C)cc2)cc1C(=O)O 835018225 JGLCGKDTUCSQFU-UHFFFAOYSA-N 285.347 3.591 30 20 CHED Cc1noc(C)c1C=NNc1ccc(C(C)C)cc1 835018906 XJQYIIDKEDNTNZ-UHFFFAOYSA-N 257.337 3.861 30 20 CHED C[C@@H]1CCC[C@]1(C)C(=O)[C@H](C#N)c1nc2ccccc2o1 835076430 IYHPMZIQJYVFKC-PEBVRCNWSA-N 282.343 3.830 30 20 CHED CC(C)(C)C#CC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 837410761 COPUADUZSNKRIC-OAHLLOKOSA-N 291.341 3.678 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2c(F)cccc2Cl)C1 839043481 MGTLVBWYZGCDHN-GHMZBOCLSA-N 295.741 3.647 30 20 CHED C=CC[C@H](NC(=O)[C@H](CC)CC(C)C)c1ccncc1 839284566 LCLMCVMEIUXKKC-ZBFHGGJFSA-N 274.408 3.887 30 20 CHED C=CC[C@@H](NC(=O)N1CC(C)(C)C[C@H]1C)c1ccncc1 840299826 GWGFQZKJMAKZDU-UKRRQHHQSA-N 287.407 3.529 30 20 CHED CCCCCCO[C@H](C)C(=O)OCc1ccc(C#N)cc1 840598781 UOXAUNVNRWMMKQ-CQSZACIVSA-N 289.375 3.587 30 20 CHED CC(C)C[C@H](C)CC(=O)Oc1cccc(OCC#N)c1 841346288 XTQLCEIATRPQOH-ZDUSSCGKSA-N 275.348 3.567 30 20 CHED FC1(F)CCC(=NNc2cccc(Cl)n2)CC1 842533570 OIRSFDMAXQPFQZ-UHFFFAOYSA-N 259.687 3.712 30 20 CHED C[C@@H](CC#N)OC(=O)C1(c2ccccc2Cl)CCC1 845467414 CEVJZMLUNYWXIN-NSHDSACASA-N 277.751 3.607 30 20 CHED C=C[C@H](C)ONC(=O)N[C@@H](c1ccccc1)C(C)(C)C 845638825 NEIFGCBBJZQRDA-JSGCOSHPSA-N 276.380 3.579 30 20 CHED C=C(C)CONC(=O)c1ccc(Cl)cc1C(F)(F)F 846535696 KQRYBYHFJDWVRP-UHFFFAOYSA-N 293.672 3.596 30 20 CHED C=C(C)CONC(=O)CCCc1csc2ccccc12 846537079 IHSRDRCWXCBBJE-UHFFFAOYSA-N 289.400 3.848 30 20 CHED CC1=CC(=NNc2ccc(CC(=O)O)cc2)CC(C)(C)C1 848415868 RAKKTIRZYVUBCZ-UHFFFAOYSA-N 286.375 3.848 30 20 CHED C=CCN1CCC(NCc2ccccc2C(C)C)CC1 848534632 SOQBHAYPHDKGHF-UHFFFAOYSA-N 272.436 3.550 30 20 CHED C=CC(C)(C)CCOC(=O)c1c(C)nn(CC)c1Cl 851299642 SZTGZHGRCGTSAM-UHFFFAOYSA-N 284.787 3.624 30 20 CHED Clc1cc(NN=C2CCC3(CCOCC3)CC2)ccn1 853394855 AXPRZHAYTLOGFL-UHFFFAOYSA-N 293.798 3.874 30 20 CHED CCCC[C@@](C)(F)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 857601686 QQSYQRMASCDJGD-UKRRQHHQSA-N 296.773 3.939 30 20 CHED C#CC[C@@H](CCOC)NCc1cccc(Cl)c1Cl 858331507 DIEANPAVFIJVGH-LBPRGKRZSA-N 286.202 3.511 30 20 CHED CCCCCCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 862357010 MIOSXMNTVIIQJP-CYBMUJFWSA-N 292.379 3.785 30 20 CHED CCn1nnc(C)c1/C=C/C(=O)c1cccc(C(C)C)c1 863195791 MFPZDEUEENQORE-MDZDMXLPSA-N 283.375 3.626 30 20 CHED N#Cc1ccc(CN2CCc3cc(Cl)ccc32)cc1 864027436 DFCVPDQQTLHPAF-UHFFFAOYSA-N 268.747 3.774 30 20 CHED N#CC1(c2ccc(-c3cnn([C@@H]4CCCCO4)c3)cc2)CC1 871886159 CAKMPQLARDTHTE-KRWDZBQOSA-N 293.370 3.804 30 20 CHED CC(CCOCc1ccccc1)=NNc1ncccc1F 872372972 UZBJBAZLVZPMHT-UHFFFAOYSA-N 287.338 3.615 30 20 CHED CC1(C#N)CCN(CCCSC(C)(C)C)CC1 878389345 FRUZDXPTHKQXNS-UHFFFAOYSA-N 254.443 3.534 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N1CCCc2nc(C#N)ccc21 892399207 CJMHCVXZUJOWIK-CYBMUJFWSA-N 299.418 3.695 30 20 CHED N#C[C@H](NC(=O)c1ccccc1C(F)(F)F)C1CCCC1 893705326 RYEFILZBCMVNAZ-ZDUSSCGKSA-N 296.292 3.518 30 20 CHED CC(F)(F)c1ccc(C(=O)N[C@H](C#N)C2CCCC2)cc1 893709942 QFRAOLWJIWRYKT-CQSZACIVSA-N 292.329 3.610 30 20 CHED C[C@@H](CCC#N)CNc1ccc(-c2ccon2)cc1 897363720 MYWYSNKSVCUOQR-LBPRGKRZSA-N 255.321 3.693 30 20 CHED CC(C)c1ncc(/C=C/c2nc(C#N)cs2)s1 901544010 MFDOXUCQJFIFTQ-ONEGZZNKSA-N 261.375 3.765 30 20 CHED C[C@H]1C[C@H](NCC2(C#N)CC2)c2ccsc2S1 903106049 LRPXSKNYJIYFIV-ONGXEEELSA-N 264.419 3.567 30 20 CHED COc1ccc(Cl)c2c1CCC[C@@H]2NCCCC#N 903147064 DJVDBAPZHOKQIW-ZDUSSCGKSA-N 278.783 3.619 30 20 CHED C#CCN(C(=S)Nc1c(CC)cccc1CC)C(C)C 905652792 YGGLMZBNOOMFJO-UHFFFAOYSA-N 288.460 3.852 30 20 CHED CCCCCCCCCNC(=O)[C@H]1Cc2ccccc2O1 913037235 PXXDBUWVWOIRSZ-QGZVFWFLSA-N 289.419 3.857 30 20 CHED CC(=NNc1nc2ccccc2[nH]1)c1cccc(F)c1 915915517 QWKROLXJWDAGRU-UHFFFAOYSA-N 268.295 3.538 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1cccc(OC(F)F)c1 915984053 GMBFLEDMQINANE-SREVYHEPSA-N 292.285 3.524 30 20 CHED COc1ccc(C=NNCc2ccccc2Cl)cc1F 918153001 RCJKISDNCADECW-UHFFFAOYSA-N 292.741 3.611 30 20 CHED CCCCCCCC(=O)NCCOC1CCCCC1 918384192 BICNTHNHVIHUPR-UHFFFAOYSA-N 269.429 3.812 30 20 CHED CCc1ccc(/C=C\C(=O)c2c(C)nn(CC)c2C)cc1 920927532 BRSVMMFRPYBVFE-QXMHVHEDSA-N 282.387 3.978 30 20 CHED Cc1c(N[C@H](C)CC(C)(C)C#N)cnn1CC(C)C 925967826 UJLYZRXYOFAXRO-GFCCVEGCSA-N 262.401 3.588 30 20 CHED Cc1ccccc1C[C@H](NCCCC#N)c1ccco1 926132147 JESHJLGBIPSWET-INIZCTEOSA-N 268.360 3.765 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cccc(-n2cnnc2)c1 926480228 CBMHUYXGHOJDLX-AWEZNQCLSA-N 284.407 3.520 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCC[C@H]1c1cccs1 929372405 PBWYQBZHHMTSKJ-HNNXBMFYSA-N 296.395 3.906 30 20 CHED C=C[C@H](CC)CC(=O)N[C@@H](c1cccs1)C1CC1 929702960 MHFUFCXWLOJLEX-IAQYHMDHSA-N 263.406 3.918 30 20 CHED C=C1CCN(C(=O)Nc2c(C)noc2-c2ccccc2)CC1 930817012 DQFIHXKOXFNMQF-UHFFFAOYSA-N 297.358 3.834 30 20 CHED C[C@H](Nc1cccc(CC#N)n1)c1c(F)cccc1F 1119959442 LCOIQXYMYVTLEV-JTQLQIEISA-N 273.286 3.599 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 1128832494 YVAYQMYBWQORAL-WFASDCNBSA-N 293.370 3.871 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@H](C)c1cccs1 1129071041 IECCRGZHIFDPNM-SNVBAGLBSA-N 298.367 3.565 30 20 CHED CC(C)Oc1cccc(NC(=O)c2ccc(C#N)cc2)c1 1129195359 IVBHQMUTGIUWFG-UHFFFAOYSA-N 280.327 3.598 30 20 CHED Cc1ccccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1130174455 LFFSNKJGGRKHOK-AWEZNQCLSA-N 278.355 3.700 30 20 CHED C[C@@H]1CC[C@@H](NCc2cc(C#N)ccc2Br)C1 1179597477 BYRLKJXUQFESFF-ZWNOBZJWSA-N 293.208 3.599 30 20 CHED N#C[C@H]1CCCN(CCc2c(Cl)cccc2Cl)C1 1197622163 RPJRGNZIXHDBFR-LLVKDONJSA-N 283.202 3.771 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)Nc1cc(C)c(C#N)cn1 1277611088 XOONLGFMYFXWEP-AWEZNQCLSA-N 285.391 3.807 30 20 CHED N#Cc1ccccc1-c1ccccc1C(=O)NC/C=C\Cl 1289555316 VXNTWPPTGOSYBH-YHYXMXQVSA-N 296.757 3.708 30 20 CHED N#Cc1nc(N2CC[C@H]2c2cccc(F)c2)sc1Cl 1306977054 CCKCJJVQSHNIQR-NSHDSACASA-N 293.754 3.759 30 20 CHED CCC1(CC)[C@@H](Nc2ccc(OCC#N)cc2)C[C@H]1OC 1319863077 IFRDJFQPLVPDAM-JKSUJKDBSA-N 288.391 3.595 30 20 CHED C#CCCCCCC(=O)N(CC)Cc1ccccc1F 1320059134 HAWQLFGLYMUPIW-UHFFFAOYSA-N 275.367 3.758 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)c1cc(C)oc1C 1320770161 JYAWDSLCBXKOBY-ZDUSSCGKSA-N 261.365 3.657 30 20 CHED CC(C)Oc1ccc(/C=C\c2cc(C#N)ccn2)cc1 1321463112 YETQPWCSVQZLEM-UTCJRWHESA-N 264.328 3.911 30 20 CHED C=CC(C)(C)CNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 1328078023 RRJOKTRCFXUPEG-JSGCOSHPSA-N 275.392 3.664 30 20 CHED Cc1nc(C(=O)N(C)C[C@H](C)C2CCCCC2)ccc1C#N 1329190651 GQRVMHKDSDDTEJ-ZDUSSCGKSA-N 299.418 3.550 30 20 CHED C=C(C)CCC(=O)Nc1cccc(COCCOCC)c1 1337070765 VQVLWIOKCYSBAO-UHFFFAOYSA-N 291.391 3.535 30 20 CHED Fc1ccc(CNN=Cc2ccc(C(F)(F)F)cc2)cc1 1340495695 POLKEQZLVDQNKP-UHFFFAOYSA-N 296.267 3.968 30 20 CHED N#Cc1nc(NCc2ccc3c(c2)CCC3)sc1Cl 1347182121 XPYHGJDPUIVORK-UHFFFAOYSA-N 289.791 3.769 30 20 CHED C=C(CC(C)C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1347193492 CXWXZPIKJCCURH-AWEZNQCLSA-N 270.376 3.680 30 20 CHED CC(C)[C@@H](Nc1ccc(OCC#N)cc1)c1ccccn1 1348560857 OVFNPGRONNODIH-QGZVFWFLSA-N 281.359 3.793 30 20 CHED C=C(C)CCC(=O)Nc1cccc(SC(=O)N(C)C)c1 1353571995 DRFDDTNKQSFVLN-UHFFFAOYSA-N 292.404 3.755 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2cccc(C#N)c2)[C@@H]1C 1475916992 NOSPYIRTRYCBSJ-NFAWXSAZSA-N 285.391 3.752 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 1522031804 GHQHAVQZUGAERN-ZFWWWQNUSA-N 256.349 3.713 30 20 CHED CC(C)(CC(=O)[C@H](C#N)c1cccc(F)n1)c1ccccc1 1524703940 HYDLNMCGABPHTR-CQSZACIVSA-N 296.345 3.765 30 20 CHED Cc1ccc(F)c(C(=O)Nc2cc(C#N)c(F)cc2F)c1 1544823166 KFGMDLRWSIDUSC-UHFFFAOYSA-N 290.244 3.536 30 20 CHED CC(C)CC1(C(=O)Nc2cc(C#N)ccc2F)CCC1 1584674666 OOSKNWRPOVIACH-UHFFFAOYSA-N 274.339 3.852 30 20 CHED C=CCC[C@@H](C)Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1 1602833382 LBZHHBZVOWUSRX-LLVKDONJSA-N 283.379 3.511 30 20 CHED C[C@H]1CC(C)(C)CN1Cc1ccc(C#N)cc1Cl 1618582677 HDPWHUCGLFXIES-NSHDSACASA-N 262.784 3.832 30 20 CHED C=C(Br)CN(C)Cc1ccc(C)c(C)c1 1643421945 QXMOOCFUGDMJOW-UHFFFAOYSA-N 268.198 3.644 30 20 CHED N#Cc1cc(=Nc2cccc(Nc3ccccc3)c2)cc[nH]1 1654948723 VRRSUTLQCRIJOJ-UHFFFAOYSA-N 286.338 3.862 30 20 CHED Cc1cc(=N[C@@H]2CCC[C@@H](c3ccccc3)C2)c(C#N)c[nH]1 1655453040 YMULGMIVHMYAOS-SJLPKXTDSA-N 291.398 3.822 30 20 CHED N#Cc1c2c(cn(CCCC3CCCCC3)c1=O)CCCC2 1656588785 JGPUWDUXEJSCCS-UHFFFAOYSA-N 298.430 3.959 30 20 CHED CC1(C)CCC[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1 1673773531 MNENREYGNUOXHG-CYBMUJFWSA-N 289.354 3.788 30 20 CHED O=C(O)c1cc(NN=C2CCC[C@@H](C3CC3)C2)ccc1F 1776062400 SCTNOMDGRLJJQW-LLVKDONJSA-N 290.338 3.892 30 20 CHED C=C(Cl)C[C@@H](NCc1csc2ccccc12)C(=O)O 1776143604 UBBHPLDWNYPHDT-GFCCVEGCSA-N 295.791 3.587 30 20 CHED C=CCC(C)(C)CC(=O)Nc1cc(C(=O)O)ccc1Cl 1776150787 JGGPBTDLALURMN-UHFFFAOYSA-N 295.766 3.969 30 20 CHED C=CCC1(C(=O)O)CCN([C@@H]2CCCc3ccccc32)CC1 1776159643 QOCOELSCTUAWAV-QGZVFWFLSA-N 299.414 3.807 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N/Cc1ccccn1 5227330 VHRIFBPCNXGLAV-FRKPEAEDSA-N 281.142 3.713 30 20 CHED Cc1cc(C(=O)[C@@H](C#N)c2ccccn2)c(C)n1C(C)C 41493734 PPDVFVAUCFNUHB-HNNXBMFYSA-N 281.359 3.571 30 20 CHED Cc1csc([C@H](C#N)C(=O)C[C@@H](C)c2ccccc2)n1 41521806 QQSCGQRJELOZJV-BXUZGUMPSA-N 284.384 3.822 30 20 CHED Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1C 43144096 JTRDBEJSYMNVGN-UHFFFAOYSA-N 293.370 3.839 30 20 CHED C=CCn1c(SCCOC(C)C)nc2ccccc21 43461761 JBJVTLHJOROWSR-UHFFFAOYSA-N 276.405 3.739 30 20 CHED N#Cc1cccc(C(=O)Nc2cccc(-n3cccc3)c2)c1 44873397 YIGZTWNRYYXFDQ-UHFFFAOYSA-N 287.322 3.601 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1NCCc1ccncc1 48262430 GLWUQEPTCHLIEP-UHFFFAOYSA-N 291.276 3.627 30 20 CHED Cc1cc(OCCCC(=O)OCCCC#N)ccc1Cl 58817716 ZUUBQRQDSNEBST-UHFFFAOYSA-N 295.766 3.654 30 20 CHED C#CCOc1ccccc1CNc1cc(F)c(F)c(F)c1 61116486 ALOFLVSJXPOOKU-UHFFFAOYSA-N 291.272 3.728 30 20 CHED N#Cc1ccc(NCc2cccc3c2OCO3)c(Cl)c1 62791027 XXBIQRITWBVSQP-UHFFFAOYSA-N 286.718 3.552 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(CCCSCC#N)C1 74991729 ISSXAGRCZQSGRG-CJNGLKHVSA-N 292.423 3.855 30 20 CHED CCN(C(=O)c1cccc(SCC#N)c1)c1ccccc1 79386980 ARTZLSMYEMXEDX-UHFFFAOYSA-N 296.395 3.969 30 20 CHED N#Cc1csc(C(=O)Nc2cccc(C(F)F)c2)c1 84091825 SXEQJBNYSZEXTC-UHFFFAOYSA-N 278.283 3.810 30 20 CHED C=CCC(CC=C)C(=O)Nc1cncc2ccccc12 89627758 WYJRHAINKGCMHJ-UHFFFAOYSA-N 266.344 3.942 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cn1 90665508 FDTQQSIENHQDOV-DYVFJYSZSA-N 283.350 3.916 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](CC)CC1CCCCC1 91968205 QXLIEYSHSZVUMH-CABCVRRESA-N 264.413 3.791 30 20 CHED Cc1nsc(NCc2ccc(Cl)cc2)c1C#N 92912148 YDTPWRNGFKNKGP-UHFFFAOYSA-N 263.753 3.589 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)cc1 98006971 QENRGZSNQJSIKS-XFXZXTDPSA-N 294.350 3.772 30 20 CHED C=CCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 102237671 XECHCNACHBCDOO-UHFFFAOYSA-N 298.342 3.745 30 20 CHED CCCCCCCCC(=O)Nc1c(C)c(C)nn1C 106717814 QXTBCCMYKLMGGX-UHFFFAOYSA-N 265.401 3.726 30 20 CHED CCSCC(=O)Nc1ccccc1SC[C@@H](C)C#N 108413000 NIYCENSHVZBPMH-NSHDSACASA-N 294.445 3.630 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 112204190 PFHXQLDKMYGIDJ-VXGBXAGGSA-N 290.329 3.506 30 20 CHED CCC[C@@H](C)C(=O)Nc1sc(CC)cc1C#N 112797940 SJOVXVJWRNECRW-SECBINFHSA-N 250.367 3.557 30 20 CHED N#Cc1ccc(OCc2ccccc2Cl)cc1F 113649690 BCXKEQQOEQTSIM-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CCCCCCCC(=O)NC1(CC(=O)O)CCCCC1 113919200 UYMHLBBFFYZUBW-UHFFFAOYSA-N 283.412 3.641 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccccc1N1CCCCC1 116997199 WIMCBRFGVNMHTB-AWEZNQCLSA-N 287.407 3.763 30 20 CHED C=CCC[C@@H](NCCc1cnn(-c2ccccc2)c1)C1CC1 120050531 ABKMBGKJIAUDJN-LJQANCHMSA-N 295.430 3.749 30 20 CHED CN(Cc1ccc(C#N)s1)Cc1nc2ccccc2s1 120799681 QCSPPAVTDMQNSY-UHFFFAOYSA-N 299.424 3.861 30 20 CHED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ncoc1C 128090574 STJOGXPQLLNZOB-UHFFFAOYSA-N 296.779 3.526 30 20 CHED CCC(CC)CN(CCC#N)Cn1cc(C)cnc1=S 132455294 ZAOQBSKFEFTJHR-UHFFFAOYSA-N 292.452 3.530 30 20 CHED CC1(C)CCC[C@@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 133680172 NRRWBSREUIHWBP-CVEARBPZSA-N 299.418 3.909 30 20 CHED N#Cc1ccc(CN[C@H](c2ccccc2)C2CC2)s1 135674149 PAJRVNURDKDKMA-MRXNPFEDSA-N 268.385 3.861 30 20 CHED C#CCN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 152607685 YEMSUFVMBVTGSH-JSGCOSHPSA-N 267.294 3.564 30 20 CHED CCN(CC#N)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 152626978 WPHLLHVJCJMIDW-LLVKDONJSA-N 298.308 3.571 30 20 CHED C=CCCOCCN[C@@H](C)c1ccc(Br)cc1 155625850 NHDNLUPSKOIZPS-LBPRGKRZSA-N 298.224 3.692 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(OC(C)C)c(C)c1 156109439 XDXYMTKTGHQVPU-CYBMUJFWSA-N 289.379 3.596 30 20 CHED CCn1nccc1/C=C1\C(=O)c2cccc(C)c2[C@H]1C 157588133 BUFFWZAUYSALBE-GQVHDAKQSA-N 266.344 3.595 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2)cc1 158321172 NDSFVRWLDAFGBN-UHFFFAOYSA-N 274.682 3.603 30 20 CHED C=C(Cl)COc1ccc([C@H](C)N[C@H](CC)CCO)cc1 159221921 QIOOPTMURMFLHJ-DZGCQCFKSA-N 297.826 3.630 30 20 CHED CC(C)N(CCSCCC(C)(C)C#N)C(C)C 160979240 AHSXMSYZFQYINZ-UHFFFAOYSA-N 256.459 3.778 30 20 CHED Cc1ccc(CNc2ncccc2OCCCC#N)cc1F 162252354 LZCHUYTXFRSQRR-UHFFFAOYSA-N 299.349 3.824 30 20 CHED Cc1ccc(C)c(CNc2ncccc2OCCCC#N)c1 162259053 UDBKFOAIJHWWBT-UHFFFAOYSA-N 295.386 3.993 30 20 CHED Cc1cc(C#N)ccc1CN1CCC[C@H]2CCC[C@@H]21 165488711 UMPHSFFQRDJZKK-WBVHZDCISA-N 254.377 3.631 30 20 CHED N#CCCCCNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 171000015 SNGVAATWHBXNSX-MSOLQXFVSA-N 292.382 3.753 30 20 CHED C=CCN(CC=C)C(=O)Nc1cccc(CC(F)(F)F)c1 174312408 WKEDJMIFOWKHDD-UHFFFAOYSA-N 298.308 3.997 30 20 CHED COc1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1OC 176410828 YZCCWEBADUAROX-QPEQYQDCSA-N 298.313 3.665 30 20 CHED CCCCCN(C(=O)c1cc(C#N)cn1C)[C@@H](C)CCC 176901058 VAFUFURBGWAXSJ-AWEZNQCLSA-N 289.423 3.718 30 20 CHED C=CCOc1ccc(C(=O)N2C[C@H]3CCCC[C@H]3C2)cc1 178359740 IIXXXZUDVVTTJE-IYBDPMFKSA-N 285.387 3.514 30 20 CHED O=C(/C=C/c1cccc(F)c1)c1ccc(Cl)nc1 179411605 GQAAWCAXRBZRFY-GQCTYLIASA-N 261.683 3.770 30 20 CHED N#Cc1ccc(CN2CCCc3ccccc3C2)s1 179442752 LDHYABMVDLFHTB-UHFFFAOYSA-N 268.385 3.568 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2ccc3ccccc3c2)C1 179902511 ZQVYGCQQFWOICN-WBMJQRKESA-N 265.312 3.689 30 20 CHED C=CC1CCN(C(=O)[C@@H](CC)c2ccc(OC)cc2)CC1 180639329 PGVOBBSAAQSEDY-KRWDZBQOSA-N 287.403 3.613 30 20 CHED C=CC[C@H](C)N[C@@H]1CCCc2nc(CC)sc21 180954748 RNCGELYSZPRCQY-WDEREUQCSA-N 250.411 3.637 30 20 CHED CCCCC[C@H](NC(=O)NC[C@H](C)C#N)c1ccccc1 182640435 AYIXWRBYALWLHT-ZBFHGGJFSA-N 287.407 3.767 30 20 CHED CSc1c(F)cc(NC(=O)NCCCCC#N)cc1F 184404368 HJSAVEWAGSQKMK-UHFFFAOYSA-N 299.346 3.502 30 20 CHED C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(Cl)cc1 184909345 SESQINVXEGKOMM-LLVKDONJSA-N 263.768 3.567 30 20 CHED C=CCOc1cccc(CNc2ncc(C)s2)c1 185852481 NWCUHKLKGUIAPZ-UHFFFAOYSA-N 260.362 3.628 30 20 CHED C#C[C@@H](C)NC(=O)N1CCC[C@H]1c1cccc2ccccc12 186013450 HCYFGUHKBPLERX-KDOFPFPSSA-N 292.382 3.708 30 20 CHED C=CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 186216867 YGTVDUGAJILCCU-MRXNPFEDSA-N 296.326 3.893 30 20 CHED CCc1cnc(CN(C)Cc2ccc(C#N)cc2C)s1 186248819 AAJJQFSTLRAYAE-UHFFFAOYSA-N 285.416 3.518 30 20 CHED N#Cc1cc(Cl)ccc1CSc1ccccn1 186364165 SQMXZXSJMUGYMI-UHFFFAOYSA-N 260.749 3.899 30 20 CHED CCCc1cccc(/C=C2\CCc3[nH]c(=O)ccc3C2=O)c1 187645499 ZKCKTEYIASTQAX-NTCAYCPXSA-N 293.366 3.540 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@@H](C)c1cccc(C)c1 188445911 XLJKIYDNPBTADR-RHSMWYFYSA-N 259.393 3.817 30 20 CHED C=CC[C@@H](C(=O)NCC(C)(C)CCOC)c1ccccc1 189094400 ATHMPLWLWLNSBJ-MRXNPFEDSA-N 289.419 3.525 30 20 CHED N#CCCCCN[C@H]1CC[C@@H](Cc2ccccc2)C1 189141975 NSXSRNXZMYWEHJ-IRXDYDNUSA-N 256.393 3.681 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)cc1 189348660 VDWXAAMFZZEVIU-ZDUSSCGKSA-N 268.335 3.890 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@](C)(OC)c1ccccc1F 190602551 CVVHZRSRTOEHJL-DYVFJYSZSA-N 293.382 3.548 30 20 CHED C=CCSCc1cc(C#N)ccc1Br 191607416 LLCHECGDYDDQIY-UHFFFAOYSA-N 268.179 3.740 30 20 CHED C=Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 191994064 OAJAIOVVWMAWKQ-UHFFFAOYSA-N 262.312 3.762 30 20 CHED C#CCCCC(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 192115468 RREDBAAEQKNRCO-CYBMUJFWSA-N 299.370 3.731 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C)n(C(C)C)c1C 193165137 LEEXORNSXXMMMP-UHFFFAOYSA-N 260.381 3.500 30 20 CHED C[C@H]1CCC[C@H](CNCc2ccc(OCC#N)cc2)C1 193696554 XMBXRUFWCCLSDD-HOCLYGCPSA-N 272.392 3.505 30 20 CHED C=CCSCCNC(=O)Nc1c(C)cc(C)cc1C 194595430 KELPVHPVYZULLA-UHFFFAOYSA-N 278.421 3.653 30 20 CHED N#CCOc1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1 209918501 UDDJPVKIXKPXEI-TWGQIWQCSA-N 299.276 3.763 30 20 CHED C[C@H](CCc1ccco1)Nc1cc(F)cc(C#N)c1 227612013 JRIPJNNTYBDJAE-LLVKDONJSA-N 258.296 3.724 30 20 CHED N#CCCCSc1ncc(-c2ccc(F)cc2)o1 247752951 UKNXUTUNYPBNOA-UHFFFAOYSA-N 262.309 3.877 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(CC#N)cc2)C1(C)C 248200942 VQHGNXHYDMFHBC-HOTGVXAUSA-N 282.387 3.930 30 20 CHED C[C@H](NC[C@@H](C#N)CCC#N)[C@H](C)C1CCCCC1 248557011 IJXCDKKUCISYMX-SOUVJXGZSA-N 261.413 3.624 30 20 CHED COCc1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1 255377495 CTKHYEYMZAAMEP-HJWRWDBZSA-N 297.310 3.637 30 20 CHED CC1CN(CCCC#N)c2ccccc2N(CCCC#N)C1 266879793 WDIZYWZDUGSQDP-UHFFFAOYSA-N 296.418 3.557 30 20 CHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cscn1 271567296 XZXWLRJLFIYXNB-OCCSQVGLSA-N 271.389 3.839 30 20 CHED C=CCC(CC=C)C(=O)N1CC=C(c2cccc(OC)c2)C1 272385503 JYSVUHBLPUVLQK-UHFFFAOYSA-N 297.398 3.689 30 20 CHED CC[C@H](NC[C@@H](O)c1ccc(C)cc1)c1ccc(C#N)cc1 278269057 OWKHRHYOWYHUEZ-RBUKOAKNSA-N 294.398 3.641 30 20 CHED C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CC(C)(C)C#N)C1 279249800 LDJJJCKNINEEMO-IUODEOHRSA-N 288.366 3.675 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1ncc(C)o1 279378156 SMDBVQAYSIEMSP-UHFFFAOYSA-N 256.349 3.561 30 20 CHED C[C@@H](Cc1ccccc1C(F)(F)F)NCCCCC#N 280443824 CWPMLTGUEJXUKE-LBPRGKRZSA-N 284.325 3.920 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)[C@H](C)c1ccccc1 280815528 MPYUNIZGYMFHJA-ONIAQPFYSA-N 273.420 3.749 30 20 CHED C=CCC[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccco1 285940342 DJCWYWHAQKNJRB-GJZGRUSLSA-N 275.392 3.978 30 20 CHED C=C(C)CCNc1ccc(C)c(C(=O)N(C)C(C)C)c1 288724237 MNVYMCJZXGUZKX-UHFFFAOYSA-N 274.408 3.854 30 20 CHED C[C@H](c1cccc(C#N)c1)N1CCC=C(c2cccnc2)C1 289408638 SUASEQNPVKQOKN-OAHLLOKOSA-N 289.382 3.804 30 20 CHED C[C@@H](CNCCCC#N)c1ccc(C(F)(F)F)cc1 290234123 GCOSSCWDPAWHSU-NSHDSACASA-N 270.298 3.702 30 20 CHED C=CCC[C@H](C(=O)Nc1nc(C)cc(C)n1)c1ccccc1 291062640 DEUYGHQOMURDNW-INIZCTEOSA-N 295.386 3.782 30 20 CHED Cc1nc(N2CCC[C@H]2c2ccsc2)ccc1C#N 291720855 WRCJONLDDZZDQT-AWEZNQCLSA-N 269.373 3.665 30 20 CHED C[C@H](NC(=O)CCCC#N)c1nc(-c2ccccc2)cs1 291806913 ZEEKKWLIIJDSSD-LBPRGKRZSA-N 299.399 3.681 30 20 CHED C=CCN(CCC#N)C(=O)C[C@@H](C)c1c[nH]c2ccccc12 292444892 NBUIFWSSDSVVPU-CQSZACIVSA-N 295.386 3.590 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 295343919 BNBQRQZYXHTBOL-CZUORRHYSA-N 285.387 3.783 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)C1CCCCCCC1 299594336 VUMRUYCMMHVJNJ-UHFFFAOYSA-N 270.376 3.743 30 20 CHED N#Cc1ccc(NCCOc2ccccc2Cl)c(F)c1 301755564 XKXGKSADMFYVSS-UHFFFAOYSA-N 290.725 3.842 30 20 CHED N#Cc1cccc(C#N)c1NCC1(c2ccc(F)cc2)CC1 302857461 SNFXSLWQHMLLSE-UHFFFAOYSA-N 291.329 3.713 30 20 CHED Cc1c(Cl)cccc1C(=O)Nc1ccc(C#N)c(F)c1 308111017 KEJMDZFJLXSTIS-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1ccccc1OCCOc1ccc(Cl)cc1F 312930452 XZVPAHKOJOFUML-UHFFFAOYSA-N 291.709 3.809 30 20 CHED Cc1ncc(N=C(O)c2csc(C(C)(C)C)n2)s1 330397314 GVJOATWMCGWAHH-UHFFFAOYSA-N 281.406 3.842 30 20 CHED CO[C@@H]1CC[C@@H](/N=C(/O)Nc2cc(C)c(Cl)c(C)c2)C1 331274455 PMNNKFQBDIENBC-DGCLKSJQSA-N 296.798 3.850 30 20 CHED N#CCc1cccc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1 334741209 PYPSBSYDIXMRFZ-QGZVFWFLSA-N 297.402 3.939 30 20 CHED C=C(C)C(C)(C)c1nc([C@H]2CCC(F)(F)C2)no1 335609928 FAPQARRTNAKFQL-VIFPVBQESA-N 256.296 3.826 30 20 CHED CC(C)CCCNCCSCc1ccccc1C#N 338418247 IFUPFDMOGLLAQT-UHFFFAOYSA-N 276.449 3.817 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1 339098466 HWZBUZMELBFCOR-JSGCOSHPSA-N 271.364 3.506 30 20 CHED C=C(C)[C@H](CC(=O)N1CCc2c(Cl)cccc21)OCC 339440730 ZTAXMMHGMTUJSC-HNNXBMFYSA-N 293.794 3.600 30 20 CHED C=CCOc1cccnc1C(=O)Nc1cccc(Cl)c1 341427697 HORPPGGSCUFLRV-UHFFFAOYSA-N 288.734 3.552 30 20 CHED CCCC[C@H](COC)N[C@@H]1CCCc2cc(C#N)ccc21 341698412 PLBMTOSFVXONKB-SJLPKXTDSA-N 286.419 3.730 30 20 CHED N#Cc1ccnc(NCC2(c3ccc(Cl)cc3)CC2)c1 342097809 STSFVBXUTLLFTL-UHFFFAOYSA-N 283.762 3.750 30 20 CHED C=CCC1(C(=O)NCC2(C(F)(F)F)CCC2)CCC1 343195135 JVWNGBWCYXLWQH-UHFFFAOYSA-N 275.314 3.582 30 20 CHED CCC(CC)n1nccc1C(=O)Nc1ccccc1CC#N 344352923 BUASECWPPZVCDK-UHFFFAOYSA-N 296.374 3.563 30 20 CHED CO[C@H](CNc1cc(C#N)ccc1C)c1ccccc1 344407455 JONNNYLAVRHZNP-QGZVFWFLSA-N 266.344 3.666 30 20 CHED Cc1csc(NC(=O)[C@@H]2CCC(C)(C)C2)c1C#N 344894114 MPFSNIAUASIPBC-SNVBAGLBSA-N 262.378 3.693 30 20 CHED CCN(Cc1cccc(C(F)F)c1)C[C@H](C)C#N 347970910 XTMNILVRSIAWGG-LLVKDONJSA-N 252.308 3.606 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCCC1(C)C 348527571 TYQYJHZIHHQVDD-ZDUSSCGKSA-N 264.413 3.744 30 20 CHED C=CC[C@H]1N(c2nnc(C(C)C)n2C)CCCC1(C)C 350141573 XRTLGYLPYCORCV-CYBMUJFWSA-N 276.428 3.510 30 20 CHED N#Cc1ccc(C(=O)N[C@H](CC2CCC2)c2ccccc2)[nH]1 351529406 KYRBCTHULZBMRY-QGZVFWFLSA-N 293.370 3.548 30 20 CHED N#Cc1cccnc1/C=C/c1cnc(-c2ccccn2)s1 352021047 LZKXFZHBEKJPHK-VOTSOKGWSA-N 290.351 3.642 30 20 CHED Cc1noc(C)c1[C@@H](C)CN[C@@H]1CCc2ccc(C#N)cc21 353265442 YKRGMCZDUXJEMZ-APPDUMDISA-N 295.386 3.544 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(C2CC2)ccn1 353939510 DFQPDYOEVXAAMR-CQSZACIVSA-N 271.364 3.531 30 20 CHED N#Cc1ccncc1N1CCC(=Cc2ccccc2F)CC1 354542351 QBSRUGIPFACKKQ-UHFFFAOYSA-N 293.345 3.776 30 20 CHED C=CCN(CCC#N)C(=O)CC(C)(C)C1CCCCC1 359398786 ALLPJRUFQJQYCH-UHFFFAOYSA-N 276.424 3.911 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC)c1cccc(Cl)c1F 359416890 JDKKGUFAIHXSGQ-BXUZGUMPSA-N 285.790 3.704 30 20 CHED Cc1ccc(C)c([C@@H](C)N(C)Cc2cc(C#N)n(C)c2)c1 361509085 STKAFKSOBGZRBX-OAHLLOKOSA-N 281.403 3.707 30 20 CHED C=CCOCCCC(=O)Nc1ccc(-c2ccccn2)cc1 362271805 ZXJDLKTUIKVBHW-UHFFFAOYSA-N 296.370 3.670 30 20 CHED CCCCCCCCC(=O)N1[C@H]2CCC[C@H]1CC(N)C2 372768449 LPPCTKOEOUJIHL-HOTGVXAUSA-N 280.456 3.608 30 20 CHED C=CCCCCNC(=O)c1cc(Cl)c(Cl)nc1C 386083051 HLBJYLFKDSMGHN-UHFFFAOYSA-N 287.190 3.783 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CCCCC1(F)F 390924468 YDGQVTPSMHPMHX-GFCCVEGCSA-N 258.356 3.731 30 20 CHED CC(C)(C#N)CCCCN1CCN(c2cccs2)CC1 409446531 YSWHJHYPEMEHSI-UHFFFAOYSA-N 291.464 3.590 30 20 CHED C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 409581573 UUSZMZFUJBYSEW-TZMCWYRMSA-N 271.364 3.506 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1cc(C)c(Cl)cc1C 410836460 RSOIPPYCUATQBO-LBPRGKRZSA-N 278.783 3.721 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc([C@@H](C)C(=O)OC)c1 412552176 TXNFMVRAOMBZQS-GFCCVEGCSA-N 289.375 3.504 30 20 CHED CC(C)(C)C[C@H]1CCN(C(=O)CCCC#N)C1(C)C 412832883 XMFGTYIXNWOULB-CYBMUJFWSA-N 264.413 3.744 30 20 CHED COCCCCCOc1cc(Br)ccc1C#N 413013424 YSEOMWHUYYLSFO-UHFFFAOYSA-N 298.180 3.516 30 20 CHED CC1=C(C)CN(c2cc(C(F)(F)F)cnc2C#N)CC1 413278529 ZIDNVRDQCGBJCB-UHFFFAOYSA-N 281.281 3.519 30 20 CHED C=CCCCC[C@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 414103179 NKFVXRLGOUSEQX-NWDGAFQWSA-N 296.436 3.715 30 20 CHED CC(C)(CC#N)CN[C@H]1CCSc2ccc(F)cc21 414163383 IKLWPEFZDZOFLD-ZDUSSCGKSA-N 278.396 3.892 30 20 CHED Cc1cccc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1 416109840 SGICTZALZFQZAM-GOSISDBHSA-N 290.366 3.674 30 20 CHED CC(C)Sc1ccc(C(=O)NCC2(C#N)CCC2)cc1 416352802 FQVQFPIYKQBJED-UHFFFAOYSA-N 288.416 3.611 30 20 CHED C=CCN(CCC#N)C(=O)Nc1ccc(C)cc1SC 417217395 RCKJZTHOWYVYQC-UHFFFAOYSA-N 289.404 3.651 30 20 CHED COc1ccc(N(C#N)CCC2(C#N)CCCCC2)cc1 418975360 SNSYVSQXLQWHTP-UHFFFAOYSA-N 283.375 3.847 30 20 CHED Cc1ccc(OCC2(C#N)CCC2)cc1Br 419087009 YRWDUHGTMZDTKH-UHFFFAOYSA-N 280.165 3.830 30 20 CHED Cc1c(NC(=O)C[C@@H]2CCC[C@H]2C)ccc(C#N)c1C#N 421552268 BHBIIMSTJURYTA-YPMHNXCESA-N 281.359 3.503 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@H](C2CCCC2)C1 421644445 CQZLEISNZWJBPA-INIZCTEOSA-N 282.387 3.519 30 20 CHED C=CCC1(C(=O)N2CC[C@H](C3CCCC3)C2)CCC1 421647297 UJHUCGOVWYOZLZ-HNNXBMFYSA-N 261.409 3.772 30 20 CHED C=C(CN[C@@H]1CCc2cccnc2CC1)c1ccccc1 421823104 CBHDZALKDNXRHB-GOSISDBHSA-N 278.399 3.632 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCC[C@H]1C 425106056 GFQNXGUDXZPSQS-JKIFEVAISA-N 284.403 3.904 30 20 CHED CC[C@H](C)CCC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425106320 GXMPQZRIJWNYKE-UONOGXRCSA-N 272.392 3.904 30 20 CHED Cc1cc(N2C[C@H](c3ccccc3)C[C@H]2C)c(C#N)cn1 425233087 VJHXREISLGPPQF-GDBMZVCRSA-N 277.371 3.644 30 20 CHED CC(=O)c1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 425531230 HAJAPBPXHSMZPK-CQSZACIVSA-N 292.382 3.954 30 20 CHED CCC[C@H](NCC1(CC#N)CC1)c1cccc([N+](=O)[O-])c1 430745222 WIOCHGOCHVYWJC-HNNXBMFYSA-N 287.363 3.719 30 20 CHED C=CCCS[C@H](C)c1cc(C(=O)OC)c(C)o1 431089356 ZJJGHFGKXWNEST-SNVBAGLBSA-N 254.351 3.745 30 20 CHED C=CCC(C)(C)CNC(=O)NCc1coc2ccccc12 432105015 BXQDROYZVDTICQ-UHFFFAOYSA-N 286.375 3.834 30 20 CHED C=CC1CCN(C(=O)NCC2(Cc3ccccc3)CC2)CC1 435095842 SWYYCWLEAMBBGA-UHFFFAOYSA-N 298.430 3.617 30 20 CHED CCC1(CNC(=O)c2cc(C#N)oc2C)CCCCC1 436125027 MSFHLCBVVOZWQX-UHFFFAOYSA-N 274.364 3.550 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2ccoc2c1 439372029 BNDNPWLANUKDQW-GFCCVEGCSA-N 258.321 3.909 30 20 CHED CCCCN1CCc2ccc(N[C@H]3CC[C@H](C#N)C3)cc21 442833286 BRTXXRICQNTRIV-HOCLYGCPSA-N 283.419 3.953 30 20 CHED CCOc1cc(Cl)ccc1N[C@@H]1CC[C@@H](C#N)C1 442880238 XAZIBVIZSFPPGN-ZYHUDNBSSA-N 264.756 3.843 30 20 CHED Cc1cc(CN[C@H]2CCO[C@H](C(C)(C)C)C2)ccc1C#N 443993555 KCPZFTRDVGJBSJ-IRXDYDNUSA-N 286.419 3.550 30 20 CHED C[C@@H]1CN(CCCCC(C)(C)C#N)c2ccccc2O1 444643894 WNCINPXXMWFTFW-CQSZACIVSA-N 272.392 3.994 30 20 CHED C=CC[C@H]1N(CCO[C@H]2CCCCO2)CCCC1(C)C 444783969 MGFORZCDLYULLM-CVEARBPZSA-N 281.440 3.596 30 20 CHED CCC1(c2noc(-c3ccc(C#N)c(C)n3)n2)CCCC1 445802480 MPKJEZKIIXLYCG-UHFFFAOYSA-N 282.347 3.534 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(OC(F)(F)F)c1 448639206 PLCJIEUKWGZYAY-UHFFFAOYSA-N 273.254 3.736 30 20 CHED C=CCOc1ccc(CNC2CCC(C)(C#N)CC2)cc1 449319799 ZSFDZYYWBVVQDH-UHFFFAOYSA-N 284.403 3.813 30 20 CHED C=CCC1(C(=O)NC[C@@H](CCO)CC(C)C)CCCCC1 450019856 VXPGETOXHLBMNR-INIZCTEOSA-N 295.467 3.674 30 20 CHED C=CC(C)(C)CNC(=O)CC(C)(C)c1ccccc1 452781138 ZGTYQYNOSQZHSM-UHFFFAOYSA-N 259.393 3.683 30 20 CHED C=C(C)CCN[C@H]1CCSc2ccc(OC)cc21 453309318 DOYDYZZRCYHCPI-AWEZNQCLSA-N 263.406 3.788 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cccc(-c2cc[nH]n2)c1 455145341 RXDGQGCNEXILEE-UHFFFAOYSA-N 298.390 3.801 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](C)C1CCCCC1 455309946 CISBMEKKVDKTRR-CYBMUJFWSA-N 252.402 3.563 30 20 CHED CC[C@H]1CCC[C@H]1C(=O)Nc1cccc(CC#N)c1 456760567 XEWJQWMQOFIGPP-DZGCQCFKSA-N 256.349 3.517 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(C#N)c(F)c2)C1 456846000 ULSMUQAALKKFDZ-CHWSQXEVSA-N 288.366 3.530 30 20 CHED CC#CCCCC(=O)N1Cc2sccc2CC1(C)C 457318304 JKPRRYZLLDECFN-UHFFFAOYSA-N 275.417 3.605 30 20 CHED C=CC(C)(C)CNC(=O)N(C)C1CCCCCC1 458985990 JSZMRJKOHLHHCD-UHFFFAOYSA-N 252.402 3.563 30 20 CHED CCCOc1ccc(Cl)cc1NC(=O)[C@]1(C#N)C[C@H]1C 460005191 BWWXAHANTPYVOL-BMIGLBTASA-N 292.766 3.617 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N(CC)C1CCCC1 460393091 HSTQZNFWFULGAR-UHFFFAOYSA-N 288.439 3.891 30 20 CHED C[C@H]1[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)C1(F)F 461023683 LAMJLGQOGFNXRU-CPCISQLKSA-N 298.358 3.757 30 20 CHED N#Cc1c[nH]c2ccccc2c1=N[C@H]1C[C@H]1Cc1ccccc1 462871123 OUALSPVQDXSFBZ-BEFAXECRSA-N 299.377 3.571 30 20 CHED CC#CCSc1nnc(SCCCC)s1 463261227 HRXWFOVSGKTWMO-UHFFFAOYSA-N 258.437 3.546 30 20 CHED C=CCOCCCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 463321499 SBVRYAVQLCKPFS-HUUCEWRRSA-N 281.440 3.690 30 20 CHED N#Cc1cc(NC(=O)CCCC2CCCC2)ccc1F 463481178 KPDFFHYLVKMDJH-UHFFFAOYSA-N 274.339 3.996 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1cccc(Cl)c1F 466367182 QOGUUEDYDJPAGC-VIFPVBQESA-N 270.735 3.955 30 20 CHED C=CCOc1ccc(CN[C@H](C)CCC2CC2)cc1OC 469123271 VRDDEIJGZXJUOF-CQSZACIVSA-N 289.419 3.928 30 20 CHED C=CC[C@H]1N(C(=O)C[C@H](OCC)C(=C)C)CCCC1(C)C 470302023 JWACOPRBZYBGNT-JKSUJKDBSA-N 293.451 3.951 30 20 CHED C=CCCCCNCc1coc(-c2ccccc2)n1 472056430 VLJWBQPAPMMUSC-UHFFFAOYSA-N 256.349 3.788 30 20 CHED C=CCCCCNC(=O)N(C)C[C@@H](C)c1ccccc1 472854928 QIQKUKVNLCNZFG-OAHLLOKOSA-N 274.408 3.788 30 20 CHED C=CCCCCCN(C)Cc1cc(O)cc(F)c1 473139470 BGEUKYWUVAAIMD-UHFFFAOYSA-N 251.345 3.710 30 20 CHED N#Cc1ccn(Cc2cc(Cl)ccc2OCC2CC2)c1 478802045 XUAJXQRVIFVMQK-UHFFFAOYSA-N 286.762 3.850 30 20 CHED Cc1ccc(CNC(=O)Nc2ccc(F)c(C#N)c2)c(C)c1 481599055 RVXUPAIXEZGEMM-UHFFFAOYSA-N 297.333 3.636 30 20 CHED CC#CCCNC(=O)N(C1CCC(CC)CC1)C1CC1 483420619 SNXHCGCMJWQMMD-UHFFFAOYSA-N 276.424 3.543 30 20 CHED CCOc1ccccc1CN(C)CC#Cc1ccccc1 483509199 BSPOYMPEOLPDIM-UHFFFAOYSA-N 279.383 3.569 30 20 CHED C=CCN(C(=O)c1ccc(N(C)C)cc1)c1ccccc1 484281560 JELDFVUDAYDXCX-UHFFFAOYSA-N 280.371 3.585 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Cc1ccc2ccccc2c1 488865334 DWGLIENMXOCYCE-GOSISDBHSA-N 279.383 3.949 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2ccccc2s1 489428288 DMORUFOTIIOHBB-GFCCVEGCSA-N 258.390 3.837 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(F)c(F)cc1Cl 489704554 PONJNMQFSVCHFE-UHFFFAOYSA-N 287.737 3.950 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](C)c1cccc(OC)c1 489826279 PCYRLLPCPUPYLU-ZDUSSCGKSA-N 275.392 3.517 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(CSC)cc1 490004594 MWKGHDFURQJAQI-UHFFFAOYSA-N 277.433 3.882 30 20 CHED C#CC(C)(C)NC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 490891302 COCQQXPKXKZBJP-JKSUJKDBSA-N 293.451 3.670 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(C(F)(F)F)cc1Cl 491315960 REOLKRKZTVIMKK-VIFPVBQESA-N 289.684 3.500 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N(CC)C[C@@H](C)C#N 499395076 WRNQEMZWXQDSFH-HOCLYGCPSA-N 278.440 3.991 30 20 CHED COc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 500172134 MDBLIPYZONKZAN-CHWSQXEVSA-N 286.375 3.722 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1oc2ccccc2c1C 506773656 RPFLAFDDCYWIKP-YVEFUNNKSA-N 284.359 3.858 30 20 CHED C[C@H](C#N)CN(C)C(=O)Nc1ccc(-c2ccccc2)cc1 509064885 PZFCIJRJBNEPNE-CQSZACIVSA-N 293.370 3.977 30 20 CHED CN(CC1CC1)c1c(C#N)cnc2c(F)ccc(Cl)c12 515552978 LGMPAHONONISQD-UHFFFAOYSA-N 289.741 3.745 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CC[C@H](C)CC1 517239574 RRGDASYBRJMGIU-SHTZXODSSA-N 275.392 3.663 30 20 CHED N#Cc1ccsc1C(=O)N[C@H](c1cccs1)C1CC1 522111495 UJWGKWKXKYYUCY-LBPRGKRZSA-N 288.397 3.562 30 20 CHED C[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@H]2CCCC[C@H]21 522904677 UQIHVBVXQPZVHS-JLSDUUJJSA-N 296.414 3.528 30 20 CHED C=CCCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 523946278 BUKMTDDMWBBUHX-LBPRGKRZSA-N 257.333 3.918 30 20 CHED C[C@@H]1CCN(CCCSCC#N)[C@@H]2CCCC[C@H]12 525308583 VTIWOGQBSDYBMH-RBSFLKMASA-N 266.454 3.534 30 20 CHED Cc1nc(C)c(COc2ccc(C#N)cc2C)s1 525697691 XBCSQZJGRNORLJ-UHFFFAOYSA-N 258.346 3.519 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 527483419 QAVVNTDSZVIWKJ-NORZTCDRSA-N 261.365 3.622 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 531355469 FDWHNSKOYRDIQJ-QEJZJMRPSA-N 297.402 3.755 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccnc(-c3ccccc3)c2)C1 532617154 HKMHLXOUVAQFNA-UHFFFAOYSA-N 291.354 3.627 30 20 CHED CCN(Cc1ccc(C)cc1)Cc1ccc(OC)c(C#N)c1 533079504 XDGFIOXUGLBSIW-UHFFFAOYSA-N 294.398 3.897 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@H]1CCCC(C)(C)C1 533714617 MHDYPHBYMANMCJ-ZDUSSCGKSA-N 286.375 3.722 30 20 CHED CCCCC[C@H]1CCCN1C(=O)c1ccc(CC#N)cc1 533931801 UODZMEPSPQDBFY-KRWDZBQOSA-N 284.403 3.938 30 20 CHED C=C(C)CN(CC)C(=O)Cc1c(C)cc(C)cc1C 536896884 JJWIERRJIQJIKF-UHFFFAOYSA-N 259.393 3.579 30 20 CHED CC(C)CCN(CCC#N)Cc1ccnc2ccccc12 537636629 XVRLQEZYBUZKCG-UHFFFAOYSA-N 281.403 3.997 30 20 CHED CC(C)(C)Cc1csc(NC(=O)c2ccc(C#N)cc2)n1 538436162 KFLQOTWIYYIYOI-UHFFFAOYSA-N 299.399 3.856 30 20 CHED C=CCN1CC[C@@H](SCCCCc2ccccc2)C1=O 538608140 BFQGVZIHZGFCAF-MRXNPFEDSA-N 289.444 3.529 30 20 CHED N#Cc1nc(N[C@@H]2CC23CCCCC3)ccc1Cl 538926860 KMEZBBOISIAKAF-GFCCVEGCSA-N 261.756 3.741 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCC1(CCC)CC1 539392245 TZDJUSWSABTSBK-CYBMUJFWSA-N 252.402 3.611 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)Nc1ccc(C#N)cc1 539393240 RONACUDCXAAKBD-SJCJKPOMSA-N 284.334 3.885 30 20 CHED C[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 540706603 CLSKRFNAWLGFFY-JMSVASOKSA-N 260.356 3.927 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](C)c1c(C)cccc1C 546209738 KWQACOZZYQFCOE-OAHLLOKOSA-N 274.408 3.972 30 20 CHED C=CCN(CC=C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C 552545988 KCUXNPLFIIRAAW-CYBMUJFWSA-N 292.810 3.649 30 20 CHED Cc1ccc([C@H]2CCN(c3nccc(C#N)c3Cl)C2)cc1 557634107 SRZOGUJXJIUIOT-HNNXBMFYSA-N 297.789 3.909 30 20 CHED N#C[C@H]1CC[C@@H](NC[C@H]2CCCC[C@H]2C(F)(F)F)C1 558243309 ALSYECDRNZTZNO-UMSGYPCISA-N 274.330 3.637 30 20 CHED Cc1csc(NC(=O)[C@H]2CCc3ccccc3C2)c1C#N 567995756 UTQROZXQGOURFL-AWEZNQCLSA-N 296.395 3.672 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCC12CCOCC2 569318351 DZOFYVZMNISVPU-MSOLQXFVSA-N 285.431 3.723 30 20 CHED Cc1ccc([C@H](C)NC(=O)Nc2ccc(C#N)c(F)c2)cc1 574369857 QXENITWALKQYSA-LBPRGKRZSA-N 297.333 3.889 30 20 CHED C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@H](C)CCC=C(C)C 580716974 UHHUPZSLSGMOSC-OAGGEKHMSA-N 279.424 3.609 30 20 CHED CC1(c2ccccc2)CCN(Cc2ccc(C#N)cn2)CC1 581318346 MPMPOIUSQKALAF-UHFFFAOYSA-N 291.398 3.507 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C1CCC1 581610948 IEBJPNPTHAHLLH-FGTMMUONSA-N 283.415 3.726 30 20 CHED C[C@@H](NC(=O)C1(C(F)F)CCCC1)c1cccc(C#N)c1 588936278 MWLSLMDXUMDWTN-LLVKDONJSA-N 292.329 3.561 30 20 CHED COCCN(CCC#N)Cc1ccc(C2CCCC2)cc1 588960066 NVRXFBOUXXFCFT-UHFFFAOYSA-N 286.419 3.706 30 20 CHED CCC(CC)[C@H](CN[C@H]1CCc2ccc(C#N)cc21)N(C)C 589336494 LJXHCABDLVEVOH-OALUTQOASA-N 299.462 3.502 30 20 CHED Cc1ccc2sc(C(=O)N[C@H](C#N)CC(C)C)cc2c1 589789349 PEDYJEXAHVSONP-ZDUSSCGKSA-N 286.400 3.878 30 20 CHED Cc1cnc(CCN[C@H](C)c2ccc(C#N)cc2F)c(C)c1 592099749 NFLVFTLDFMXXNP-CQSZACIVSA-N 297.377 3.603 30 20 CHED CCC(CC)N(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CC1 593963645 QVLVKFSQOOMPMS-AWEZNQCLSA-N 298.430 3.916 30 20 CHED Cc1cc2c(SCC3(CC#N)CC3)ncnc2s1 594899428 GEQVPHBSAZUHOZ-UHFFFAOYSA-N 275.402 3.786 30 20 CHED CC[C@@H](C)CCNCc1cccc(OCCCC#N)c1 594968058 MWMJGVBLRQYGEC-OAHLLOKOSA-N 274.408 3.895 30 20 CHED CCOc1ccc([C@H](C)NCCc2ccc(C#N)cc2)cc1 595055951 NAHXZQOOGKLUMK-HNNXBMFYSA-N 294.398 3.850 30 20 CHED CC[C@]1(C)CCCN(c2nc(C#N)c(Cl)s2)C1 596142195 OVLOAQSQQMYMIV-GFCCVEGCSA-N 269.801 3.685 30 20 CHED Cc1cccc(C)c1[C@H]1CCCN1c1ncccc1C#N 596315329 BLTKZUXQGYSLRJ-MRXNPFEDSA-N 277.371 3.912 30 20 CHED C=CCCC(C)(C)NC(=O)N[C@H]1CCC[C@H](SC)C1 596316995 LEQWZAZQGGVFNO-STQMWFEESA-N 284.469 3.705 30 20 CHED CC(C)OC1CC(SCCc2ccc(C#N)cc2)C1 596386211 YWXVULLQKAQKNY-UHFFFAOYSA-N 275.417 3.790 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 596648195 LARSSKKWLJZSCL-JTQLQIEISA-N 295.745 3.637 30 20 CHED CCC[C@@H]1SCCN1C(=O)CC1(C#N)CCCCC1 597255621 XCPJVINYRIVMKG-AWEZNQCLSA-N 280.437 3.552 30 20 CHED C[C@@H](NC(=O)C1CCC2(CC1)CC2)c1cccc(C#N)c1 597330849 XLLOIAYSCNVYIP-CYBMUJFWSA-N 282.387 3.706 30 20 CHED CC[C@H](Cc1ccc(F)cc1)NC(=O)CCCCCC#N 597887818 ULBWFTYTWKCYFO-MRXNPFEDSA-N 290.382 3.737 30 20 CHED N#Cc1ccc(CC(=O)NC2CCC(C3CCC3)CC2)cc1 598451258 RSDJINIZKSEYQG-UHFFFAOYSA-N 296.414 3.576 30 20 CHED CCC(CC)CN(CCC#N)Cc1cccc2[nH]ncc12 600118033 PPCSRJKUYMKPJH-UHFFFAOYSA-N 284.407 3.715 30 20 CHED Cc1cc(S[C@@H](C)C2CCOCC2)ccc1C#N 600562901 SFAWUHRLJQTIBH-LBPRGKRZSA-N 261.390 3.774 30 20 CHED CC[C@H](C)[C@@H](CNc1cccc(OCCCC#N)c1)OC 602483218 HWPQWJGSVRXYRC-WMLDXEAASA-N 290.407 3.842 30 20 CHED C[C@@H](CC1(C#N)CCOCC1)NCCCCC(C)(C)C 602537532 DVJBYCILKRYWLY-HNNXBMFYSA-N 280.456 3.891 30 20 CHED N#Cc1cccc(CN[C@H](c2ccc(F)cc2)C2CCC2)n1 602538328 KCPAFMZFCBOCIK-SFHVURJKSA-N 295.361 3.723 30 20 CHED N#CCC1(CNC2(c3ccc(Cl)cc3)CC2)CC1 602804973 IRUIITFMQFFSBJ-UHFFFAOYSA-N 260.768 3.613 30 20 CHED C=CCN(Cc1ccccc1)Cc1cccc(N(C)C)c1 607724181 UQSBEJBEWXKMHW-UHFFFAOYSA-N 280.415 3.941 30 20 CHED COc1ccc(C(=O)Nc2sccc2C#N)c(Cl)c1 609372105 WNUOVSRUEFPTCP-UHFFFAOYSA-N 292.747 3.534 30 20 CHED CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 610010387 RXGWKPSGNAWSDP-CJNGLKHVSA-N 285.391 3.991 30 20 CHED CCC1(O)CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 611393364 HVOIDZALQAGAMM-AVAKVYKDSA-N 298.430 3.609 30 20 CHED Cc1cccc(C)c1OCCCN1CCC[C@](C)(C#N)C1 612166870 XRVGXNRFVLTBKV-GOSISDBHSA-N 286.419 3.698 30 20 CHED Cc1cc(C#N)ccc1OCCN(C)Cc1ccc(F)cc1 615683505 JBPWOIYSAVWPGT-UHFFFAOYSA-N 298.361 3.517 30 20 CHED CC(=O)Nc1c(C)ccc(N[C@@H]2CCC[C@@H](C#N)C2)c1C 618574282 WBJVWIGYDTZOOL-HUUCEWRRSA-N 285.391 3.756 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 619438121 PTEVOXVPGUEOSK-YSVLISHTSA-N 284.403 3.952 30 20 CHED C=CCN(C(=O)[C@@H](C)c1cccc(C)c1)C(C)(C)C 622944112 FGWITQZSMLCPFW-AWEZNQCLSA-N 259.393 3.912 30 20 CHED C=CCCn1cc(CN(CC(C)C)C(CC)CC)nn1 653564896 QUVUPCBPDUKHAX-UHFFFAOYSA-N 278.444 3.501 30 20 CHED C=CCC1(NCc2ccc(OC(C)C)cc2)CCOCC1 657633783 WWKGDSKCCXLDOS-UHFFFAOYSA-N 289.419 3.689 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCC(C)(C)C(C)(C)O 658032936 YRXSZYPXMHSNGP-ZIAGYGMSSA-N 253.430 3.508 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 661378817 MUIRETOMQOYHSK-CYBMUJFWSA-N 256.349 3.616 30 20 CHED C=CCC1(NC(=O)NCc2cc(C)cs2)CCCC1 665022348 QPPOZEPVUIMDIA-UHFFFAOYSA-N 278.421 3.745 30 20 CHED C=CCC1(NC[C@@H]2C(C)=CCC[C@@H]2C)CCOCC1 668550755 FSMYXXRIUBNGKW-JKSUJKDBSA-N 263.425 3.694 30 20 CHED C=CC[C@H]1CCCN(c2nnc(-c3ccccc3C)n2C)C1 668976646 RGVUKWSSIATSMM-HNNXBMFYSA-N 296.418 3.583 30 20 CHED C=C(CNC(=O)N1CCC2(CCC2)CC1)c1ccccc1 673195336 RXSZNUJWCMFZEC-UHFFFAOYSA-N 284.403 3.676 30 20 CHED CC(C)CN(CCC#N)C(=S)N[C@H](C)c1cccs1 726438565 ATEOILCMTGFBIZ-GFCCVEGCSA-N 295.477 3.555 30 20 CHED CCc1ccc([C@H](C)C(=O)OCc2cccc(C#N)c2)cc1 727916386 JCXXYEIUCFZZQJ-AWEZNQCLSA-N 293.366 3.968 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)cc1 728231732 OHISKIQFLALXGW-UXBLZVDNSA-N 282.339 3.995 30 20 CHED Cc1cc(C=NNc2cccc3cnccc23)c(C)[nH]1 728432268 PVJTXGNISMPCJJ-UHFFFAOYSA-N 264.332 3.626 30 20 CHED CC(Cc1cccs1)=NNc1cc([N+](=O)[O-])ccc1C 729638815 GWUHVRAYGYRGDK-UHFFFAOYSA-N 289.360 3.995 30 20 CHED Oc1ccccc1/C=N/CCCc1c[nH]c2ccccc12 730732490 JGESVFYICFZJSC-XDHOZWIPSA-N 278.355 3.925 30 20 CHED Cc1cccc(C=NNc2nc(-c3ccccc3)no2)c1C 731153453 MMVNYFLEBOEPEM-UHFFFAOYSA-N 292.342 3.799 30 20 CHED Fc1ccc(NN=Cc2ccc(C(F)(F)F)cc2)nc1 731320099 VDFJPVBEDXWNQE-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C#CCCOc1ccc(CN[C@@H]2CCC[C@H](C)C2)cc1 733324088 IFXFITPXNNYROP-DOTOQJQBSA-N 271.404 3.757 30 20 CHED C#CCCOc1ccc(CNCCc2cccc(C)c2)cc1 733327412 QPVAYXSKRIKEBX-UHFFFAOYSA-N 293.410 3.729 30 20 CHED CC1CCC(=CC(=O)N(CCC#N)CC(C)(C)C)CC1 734127519 WXRSREZSXSZZGM-UHFFFAOYSA-N 276.424 3.911 30 20 CHED C#CCN(CC)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl 735584977 ZASYXHSVVPDUJA-JTQLQIEISA-N 299.201 3.719 30 20 CHED C=C(Cl)CNC(=O)N(C)Cc1ccc2ccccc2c1 736400333 QFJHGFHDNIIJHE-UHFFFAOYSA-N 288.778 3.734 30 20 CHED C=C(Cl)CNC(=O)NCc1cccc(Cl)c1Cl 737037513 JRFMEJVGRSIEBZ-UHFFFAOYSA-N 293.581 3.545 30 20 CHED C=CCCCCCN(C)C(=O)NC[C@H]1CC1(Cl)Cl 740034340 CNBWBZYDOALMIS-LLVKDONJSA-N 293.238 3.568 30 20 CHED C=CCCCCCN(C)C(=O)N[C@H](C)CCSC 740057039 AQPQCCXPDFYYLP-CYBMUJFWSA-N 272.458 3.516 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 741871694 ZATCYYIDHRKYLN-HLLBOEOZSA-N 298.455 3.923 30 20 CHED C=CCOc1ccc(OC(=O)C[C@H](C)CCC)cc1 742859857 BJOWWBSVQVYDMQ-CYBMUJFWSA-N 262.349 3.983 30 20 CHED C=C(C)CCOC(=O)c1ccc(-n2cccc2)cc1 744303902 DXJISBQGRPACHO-UHFFFAOYSA-N 255.317 3.600 30 20 CHED C[C@@H](c1cccs1)[S@](=O)CCCC(C)(C)C#N 747448387 NQETVKIRNZEMCB-APPDUMDISA-N 269.435 3.888 30 20 CHED Fc1ccc(NN=C2CCc3ccc(F)cc32)c(F)c1 748778624 OGTPICVLOJOHFU-UHFFFAOYSA-N 276.261 3.866 30 20 CHED Cc1cccc2ncc(/C=C\C(=O)c3ccc(F)cc3)n12 748994588 PABYJERDCRZLHI-KTKRTIGZSA-N 280.302 3.678 30 20 CHED CC(C)CN(CCC#N)C(=O)[C@@H](C)c1ccc(Cl)s1 749927416 YRLSRZVCDJKFAJ-NSHDSACASA-N 298.839 3.903 30 20 CHED CC(C)CN(CCC#N)C(=O)C[C@@H](C)C1CCCCC1 751374016 KKTCGIKYIAKCEW-OAHLLOKOSA-N 278.440 3.991 30 20 CHED CC(C)CN(CCC#N)C(=O)/C=C/Sc1ccccc1 751382506 RXTGEWJBEFCLDJ-FMIVXFBMSA-N 288.416 3.691 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)c2cc(C)ccc2C)o1 751513644 RZCWGMRUWYIWHY-CLFYSBASSA-N 298.338 3.969 30 20 CHED C=C(CC)CON=C(c1ccccc1)C(F)(F)F 751953671 CWHQHAGBRKJECX-UHFFFAOYSA-N 257.255 3.936 30 20 CHED CCCCCC(C)(C)C(=O)Nc1ccc(C#N)c(C#N)c1 753234849 BZKOXYJFJJYSSM-UHFFFAOYSA-N 283.375 3.975 30 20 CHED CCCCCCCCNC(=O)[C@H](C)c1ccco1 754855865 ZAANUGITMHQNGH-CYBMUJFWSA-N 251.370 3.860 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N[C@H](C#N)CC(C)C 755843160 ZVZNGUSHFOUUDR-UQTJOTSZSA-N 290.794 3.798 30 20 CHED Cc1ncsc1/C=C\C(=O)c1cccc([N+](=O)[O-])c1C 756777786 OADWRHZDWVLAMX-SREVYHEPSA-N 288.328 3.564 30 20 CHED C#Cc1cccc(NC(=O)NCC2(CC(C)C)CC2)c1 757203929 PQXJNOXBIRWOFA-UHFFFAOYSA-N 270.376 3.616 30 20 CHED CCc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1 757468772 WXGIUWVSAJJDRR-VQHVLOKHSA-N 268.312 3.556 30 20 CHED C#CCCCC(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 758034098 GYJNYZMKRZBBKW-HNNXBMFYSA-N 299.418 3.511 30 20 CHED C#CCOc1ccc(CN[C@@H]2CCC23CCCC3)cc1 758596504 SUIVPGKHDKZKNG-QGZVFWFLSA-N 269.388 3.511 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C\c1scnc1C)O2 759117247 MEPMYNCRQLAPNI-AWNIVKPZSA-N 271.341 3.685 30 20 CHED COc1cc(F)cc(NN=C/C=C/c2ccco2)c1 759212229 BKGUVRDAXCMRCB-RICCXNNOSA-N 260.268 3.538 30 20 CHED C[C@H]1CCC[C@@H](C(=O)OCc2cc(F)ccc2C#N)C1 759361784 ZAWYFRUURXNRMK-NWDGAFQWSA-N 275.323 3.567 30 20 CHED C=C[C@H](CC(=O)Nc1ccnn1CC1CC1)c1ccccc1 759478386 NBHSIHCFDIDSNI-OAHLLOKOSA-N 295.386 3.592 30 20 CHED COc1ccsc1/C=C1\CCc2ccccc2C1=O 764432427 ARBPUJJKRORLKV-ZRDIBKRKSA-N 270.353 3.969 30 20 CHED C[C@@H]1CC(C)(C)CC1=NNc1ccc(Cl)nc1 766024761 DDMXYEYNXLPSAJ-SECBINFHSA-N 251.761 3.959 30 20 CHED C[C@H](OC(=O)C[C@@H]1CCC[C@H]1C)c1ccc(C#N)cc1 769307939 XBNXVRMKOLYBAW-WWGRRREGSA-N 271.360 3.989 30 20 CHED c1ccc([C@@H]2CCC2=NOCc2cccnc2)cc1 769799067 GHDXAFUCNNTLGD-HNNXBMFYSA-N 252.317 3.532 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cnccc1C 771557604 GUIKASGULRBUSQ-UHFFFAOYSA-N 257.312 3.674 30 20 CHED CCCCCCCCNC(=O)NC1CCC(O)(CC)CC1 772029173 JPITVTYCINIMNZ-UHFFFAOYSA-N 298.471 3.730 30 20 CHED C=CCC[C@H](NC(=O)c1csc(C=O)c1)c1ccccc1 772738934 WLPIIZMCMMUENQ-INIZCTEOSA-N 299.395 3.998 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ccc(C#N)cc1 773201599 QGHKUYZLCWWWOY-XJKSGUPXSA-N 253.349 3.948 30 20 CHED CCCCC[C@@H](CC)C(=O)N[C@@H](C#N)C(C)(C)C 775771401 NRSUEPMIOZVNAE-OLZOCXBDSA-N 252.402 3.647 30 20 CHED C=C[C@@H](CC(=O)NOC1CCCCC1)c1ccccc1 777961711 LLMLBOWDMCQLFK-AWEZNQCLSA-N 273.376 3.727 30 20 CHED C=C(Cl)CN[C@H](C)[C@@H](OC)c1ccccc1Cl 778245930 IGSDDJDJPWQCIK-ZWNOBZJWSA-N 274.191 3.758 30 20 CHED CC(C)OCCNN=Cc1cc(-c2ccccc2)cs1 778554711 VMPKLSDDWIFCCL-UHFFFAOYSA-N 288.416 3.764 30 20 CHED C=CC[C@@H](OC(=O)c1c[nH]cc1C)c1ccccc1 778737918 FVZFGFWFFATQPS-OAHLLOKOSA-N 255.317 3.797 30 20 CHED C#CCCCCCC(=O)NCCc1ccc(Cl)cc1 779716506 YLPLFCWABVCANE-UHFFFAOYSA-N 277.795 3.582 30 20 CHED CC(C[C@@H](C)CC(C)C)=NNc1oc(C)nc1C#N 779770050 DHTPQBGPBOWEBQ-JTQLQIEISA-N 262.357 3.715 30 20 CHED CCc1cccnc1C(C)=NNc1cc(F)cc(F)c1 779770986 NOPYPFOXXGZEMU-UHFFFAOYSA-N 275.302 3.758 30 20 CHED Cn1ccc(C=NNc2ccc(C(C)(C)C)cc2)c1 779824521 CHWRUCNXJZBEFP-UHFFFAOYSA-N 255.365 3.769 30 20 CHED CCC(Cc1cccs1)=NNc1ccc(OC)cn1 780275076 NWWRGPRLOKWTJL-UHFFFAOYSA-N 275.377 3.572 30 20 CHED C[C@H]1C[C@H]1C=NOCc1ccc(F)cc1Br 780282066 BFEGUDSFASMFSU-WPRPVWTQSA-N 286.144 3.747 30 20 CHED CC(C)(C)C1CCC(NCc2ccc(C#N)cn2)CC1 780558034 HFEOXJLTXOCELE-UHFFFAOYSA-N 271.408 3.648 30 20 CHED COc1cc(F)cc(NN=Cc2scnc2C2CC2)c1 782250199 XTHUIIFXOUVHJZ-UHFFFAOYSA-N 291.351 3.614 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)Oc2ccccc21 782341435 JMCKZOVRSXHGTA-KPKJPENVSA-N 269.325 3.637 30 20 CHED CC(C)(C)CCON=CC(=O)Nc1ccccc1Cl 783555034 LQOBIDYLDJRVBK-UHFFFAOYSA-N 282.771 3.717 30 20 CHED C=C(Br)CN1CC[C@@H](c2cccc(C)c2)C1 784480873 JQLJLDWOHQYKEL-CQSZACIVSA-N 280.209 3.693 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(C#N)cc1C 785752209 BVPMADMPUWJTRN-INIZCTEOSA-N 257.333 3.512 30 20 CHED N#Cc1cccc(Cn2c(=O)ccc3ccc(Cl)cc32)c1 786899990 WTUWGPVPTRBUTC-UHFFFAOYSA-N 294.741 3.575 30 20 CHED CC(=NOCc1ccccc1)c1cnn(C(C)(C)C)c1C 787152068 PHNRFLLGZNWACR-UHFFFAOYSA-N 285.391 3.887 30 20 CHED C#CCC1(C(=O)N[C@@H](C)c2cccc(C#N)c2)CCCCC1 788228593 KCGXBDBBESUUPT-HNNXBMFYSA-N 294.398 3.709 30 20 CHED COc1cc(NN=C(C)c2ccoc2)ccc1Cl 788467718 MXYGBYQLVHSOQM-UHFFFAOYSA-N 264.712 3.778 30 20 CHED CCc1ccc(C=NNc2ccc3c(=O)[nH]ccc3c2)cc1 789075834 COZIFEVBRQKUCH-UHFFFAOYSA-N 291.354 3.537 30 20 CHED CC[C@H](C)NN=Cc1ccc(OC(F)F)c(Cl)c1 790188520 JWSLFKFZEWCHPU-QMMMGPOBSA-N 276.714 3.663 30 20 CHED CC(=NNc1cccc2ccccc12)c1cc(C)on1 790295154 DXRPPGSDBSKLIE-UHFFFAOYSA-N 265.316 3.972 30 20 CHED CC(=NNCC1(C)CCCC1)c1sc(C)nc1C 793084622 QYQWMZIJPYASOV-UHFFFAOYSA-N 265.426 3.654 30 20 CHED CC(=NNc1ncncc1F)[C@@H](C)c1ccc(Cl)cc1 793224886 AKQFOGOHAXVLGN-SECBINFHSA-N 292.745 3.861 30 20 CHED COC(=O)C[C@H]1CCC(=NNc2ccc(Cl)cc2)[C@H]1C 794446019 UPWVOTNCWWLTBW-WDEREUQCSA-N 294.782 3.717 30 20 CHED COc1ccc2oc(/C=C/C(=O)c3ccnc(F)c3)cc2c1 794720613 GUNZFVXXHVRLET-DUXPYHPUSA-N 297.285 3.872 30 20 CHED N#Cc1cc(Cl)nc(NN=Cc2ccc3occc3c2)c1 794924493 ZJNRTVHAKAENCK-UHFFFAOYSA-N 296.717 3.799 30 20 CHED CC(C)n1nccc1/C=C\C(=O)c1ccc(O)c(Cl)c1 794943906 AHRKELQZQXWCJQ-XQRVVYSFSA-N 290.750 3.719 30 20 CHED CC(=NNc1cncnc1)c1ccc(CC(C)C)cc1 794978755 NLRCARVLUMCNMV-UHFFFAOYSA-N 268.364 3.511 30 20 CHED Cc1ccc(C(=O)NC2(C)CCC(C)CC2)cc1C#N 799326854 HWPNOWKGMNPNQA-UHFFFAOYSA-N 270.376 3.565 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)c2ccc(C)c(C#N)c2)C1 799340186 HSODGFLHXUTWPK-BBRMVZONSA-N 270.376 3.565 30 20 CHED Cc1ccc(C(=O)N[C@H](C)C2CCCCC2)cc1C#N 799340247 BHNHXBLUZGJFHS-CYBMUJFWSA-N 270.376 3.565 30 20 CHED Cc1ccc(OC(=O)c2ccc(C)c(C#N)c2)cc1F 799377470 NKEANRZRBASJCQ-UHFFFAOYSA-N 269.275 3.533 30 20 CHED Cc1cccnc1NN=C1CCC(C(F)F)CC1 799486165 TVJOTNCFRUQZRW-UHFFFAOYSA-N 253.296 3.613 30 20 CHED C[C@@H](C#N)OCCN(CC1CCC1)[C@@H](C)c1ccccc1 801922821 POAWBMYLDLJVIA-HOTGVXAUSA-N 286.419 3.778 30 20 CHED CC(C)C[C@H]1OCCC[C@@H]1Nc1nc(Cl)c(C#N)s1 804622701 FFFBFABUTOATHC-VHSXEESVSA-N 299.827 3.674 30 20 CHED N#CCSCCCOC(=O)CCCC1CCCCC1 805328438 SSTMPCOMTAYLCB-UHFFFAOYSA-N 283.437 3.927 30 20 CHED CC(C)c1cccc2c1OCC/C(=C\c1cnccn1)C2=O 809157114 HYSBVKQKYHIBPZ-JLHYYAGUSA-N 294.354 3.649 30 20 CHED C#CCCCc1nc(-c2ccc3ccccc3c2)no1 809534393 HXZDLACTNLETAN-UHFFFAOYSA-N 262.312 3.846 30 20 CHED C#Cc1ccc(CN[C@H](C)c2cccc(OC)c2)cc1 809608349 QECVOMBOBYLMMS-CQSZACIVSA-N 265.356 3.527 30 20 CHED C#C[C@H](NCc1ncc(C(C)(C)C)s1)C(C)(C)C 809781252 LKIFBTXWQAPRMF-NSHDSACASA-N 264.438 3.578 30 20 CHED C=CC[C@H](C(=O)OCC1(COC)CCC1)c1ccccc1 811058344 LOHXNCMAQSXKQI-INIZCTEOSA-N 288.387 3.706 30 20 CHED CCCC(=NNc1ccc(F)cc1F)c1ccccn1 814686453 HQZYALFFQIATCT-UHFFFAOYSA-N 275.302 3.976 30 20 CHED Fc1ccc2c(c1)OCC2=NNc1ccccc1Cl 814690855 BQWVGNHHGPJACZ-UHFFFAOYSA-N 276.698 3.688 30 20 CHED CCCC(=NNc1cccc([N+](=O)[O-])c1C)c1ccccn1 814833322 CPQGTVPYALBAGJ-UHFFFAOYSA-N 298.346 3.915 30 20 CHED Oc1cccc(C=NNCc2ccc(Cl)cc2)c1Cl 814872917 DNXXEPIWNUEJDH-UHFFFAOYSA-N 295.169 3.823 30 20 CHED CCCCC/C(C=NNC[C@H](C)O)=C/c1ccccc1 814964621 AGIAQXFAHXRBKA-JVHOWJDQSA-N 274.408 3.607 30 20 CHED C=CCC(F)(F)C(=O)O[C@H](C)c1ccc(Cl)cn1 816033968 KZRKHXGVDCKWMD-MRVPVSSYSA-N 275.682 3.551 30 20 CHED C=CCC1(C(=O)OC[C@@]2(C)C[C@]2(F)Cl)CCC1 821895319 GYBIJMNNGLZCRR-DGCLKSJQSA-N 260.736 3.591 30 20 CHED C#CC[C@@H](NCC[C@@H]1CC1(Cl)Cl)c1ccccc1 822818241 OHHKLUMHXOLGJA-ZIAGYGMSSA-N 282.214 3.925 30 20 CHED C#Cc1cccc(CNCc2ncc(C(C)C)s2)c1 825226233 FFSJFVIOENRTDZ-UHFFFAOYSA-N 270.401 3.538 30 20 CHED C#CC[C@@H](NC(=O)[C@H]1CCCCC1(F)F)c1ccccc1 827396674 VMFASBFDLGNNRF-HUUCEWRRSA-N 291.341 3.693 30 20 CHED CC/C(C)=C/C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 828194395 KLKMRIPOFSXRAJ-WYMLVPIESA-N 280.371 3.530 30 20 CHED CCCCCC[C@@H](C)NN=Cc1cc(C(=O)O)c(C)o1 829357716 VAQMSSJQABYCHL-LLVKDONJSA-N 280.368 3.569 30 20 CHED N#CCOc1ccc(CN2CCCCCCCC2)cc1 831932702 HBKFDNRUFQHYGQ-UHFFFAOYSA-N 272.392 3.745 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1nc(Br)cs1 834790645 UDNQYXQRQAVYPK-BDAKNGLRSA-N 289.242 3.911 30 20 CHED CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(OCC#N)cc1 834894291 SASJYPFYFAGJMC-QRTARXTBSA-N 272.392 3.532 30 20 CHED C[C@H](NN=Cc1cscc1C(F)(F)F)C(F)(F)F 834997275 BBRRYBODESEWRJ-YFKPBYRVSA-N 290.232 3.641 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)O[C@H](C)C(C)(C)C#N 835245616 REAGZEUAOBQYPV-JHJVBQTASA-N 251.370 3.684 30 20 CHED CCCCCCCCC(=O)N[C@H]1C[C@H](C)n2ccnc21 836961633 ZGFVDKHCYUUHJU-KBPBESRZSA-N 277.412 3.756 30 20 CHED C#CCCCCC(=O)N[C@](C)(Cc1ccccc1)C1CC1 837163402 AWVMUFWALHVNSM-LJQANCHMSA-N 283.415 3.708 30 20 CHED CC(C)(C)C[C@@H](NC(=O)C#CC1CC1)c1ccc(F)cc1 837350486 UCIYWSRZDKMSGJ-MRXNPFEDSA-N 287.378 3.833 30 20 CHED C=CCC1(C(=O)OCc2nc(CCC)no2)CCCCC1 838151755 TWTQPTKMVKOJIW-UHFFFAOYSA-N 292.379 3.592 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](CC)c1ccncc1 839012528 TULVFZIVJBUJEG-OAHLLOKOSA-N 259.349 3.844 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(-c3ccccc3)no2)C1 839048147 LMMAGOLSXOXRHM-JSGCOSHPSA-N 296.326 3.581 30 20 CHED CCCCSCCC(=O)O[C@H]1CCC[C@@H](C#N)C1 839055328 QEHYDNPGZIZBCN-OLZOCXBDSA-N 269.410 3.535 30 20 CHED CCCCCCCCNC(=O)CCc1scnc1C 839713260 QZHOCHLBULMVPE-UHFFFAOYSA-N 282.453 3.861 30 20 CHED CCCCCCO[C@@H](C)C(=O)N(C)c1ccccc1C#N 841153726 RHBTYHBQMXPSDM-AWEZNQCLSA-N 288.391 3.506 30 20 CHED CC(=NN(C)C[C@H](C)O)c1ccccc1SC(C)(C)C 841650817 PPAOOVYBLZJJSV-LBPRGKRZSA-N 294.464 3.614 30 20 CHED CC(Cc1ccc(-c2ccccc2)cc1)=NN(C)C[C@@H](C)O 841653378 HULHMODSKKYKDJ-MRXNPFEDSA-N 296.414 3.585 30 20 CHED CC(=NN(C)C[C@H](C)O)c1ccc(Oc2ccccc2)cc1 841656472 UKXDRXWRIGUJNF-AWEZNQCLSA-N 298.386 3.516 30 20 CHED C=C[C@H](C)ONC(=O)N(C)[C@H](c1ccccc1)C(C)C 845634335 SWOUFKYJELWYPS-ZFWWWQNUSA-N 276.380 3.531 30 20 CHED C=C[C@H](C)ONC(=O)N(C)[C@H](C)c1ccccc1Cl 845639951 UCHMPPKSFZRHCL-WDEREUQCSA-N 282.771 3.549 30 20 CHED CCn1nc(C)c(/C=C2/Cc3cc(C)cc(C)c3C2=O)c1C 848642987 OSQCCWFXCPGJAT-YBEGLDIGSA-N 294.398 3.959 30 20 CHED CC[C@H](OC1CCCC1)C(=O)O[C@H](C)CC(C)(C)C#N 851211012 XWXPKNDZSIIXBR-OCCSQVGLSA-N 281.396 3.596 30 20 CHED C=CC(C)(C)CCOC(=O)CC1CCSCC1 851299722 WNMJXNIYBTWKKD-UHFFFAOYSA-N 256.411 3.665 30 20 CHED C[C@@H]1OCCC1=NNc1nc2ccc(Cl)cc2s1 853438594 HKZAUSHHCZYYRB-ZETCQYMHSA-N 281.768 3.526 30 20 CHED C#Cc1cccc(N(CC)C(=O)C[C@H](C)c2ccco2)c1 859181010 UZLRMRDOYLSADE-AWEZNQCLSA-N 281.355 3.808 30 20 CHED CCc1oc2ccccc2c1CC(=O)O[C@@H](CC)CC#N 860694635 KAMOZKFKNODNQT-LBPRGKRZSA-N 285.343 3.773 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@H](C)c1ccco1 860870048 KDBWBYRJXFPESW-RYUDHWBXSA-N 263.337 3.645 30 20 CHED CCCCCCCNC(=O)c1cc2ccccc2c(O)n1 862359997 ZQIGRYZRJFOXRR-UHFFFAOYSA-N 286.375 3.641 30 20 CHED C#CC[C@@H](CCOC)N[C@H](C)c1cc2ccccc2o1 862547869 RLJCQHKXBQWWDK-HIFRSBDPSA-N 271.360 3.512 30 20 CHED C=CCCC(CC)=NNCC(F)(F)C(F)(F)F 863179113 CKBGDRLWLHHYHK-UHFFFAOYSA-N 258.234 3.506 30 20 CHED C=CCCC[C@@H](C)NCc1cccnc1Br 865521926 GYFDTMOZSKGLEM-LLVKDONJSA-N 283.213 3.679 30 20 CHED C=CCCCCCCNC(=O)N1CCC(SC)CC1 868608878 PZVXYTXKTZTLMH-UHFFFAOYSA-N 284.469 3.660 30 20 CHED C=CCCCC(=O)O[C@@H]1CCO[C@H](c2ccccc2)C1 873623182 OCNHEHVGPTXUBK-CVEARBPZSA-N 274.360 3.806 30 20 CHED Cc1ccc(SCC(=O)Oc2ccc(C#N)cc2)c(C)c1 876464652 ZSUOZSPMUKENBA-UHFFFAOYSA-N 297.379 3.873 30 20 CHED C#C[C@H](NC[C@H](C)CCC#N)c1ccc(Cl)cc1 877540946 IXJDWXJEZWHYLE-DOMZBBRYSA-N 260.768 3.544 30 20 CHED CC(C)(CCC(=O)Nc1ncc(C#N)s1)c1ccccc1 896485133 UKRSGKUKMUJWBE-UHFFFAOYSA-N 299.399 3.711 30 20 CHED Cc1ccc([C@H](NCC2(C#N)CCC2)C2CCC2)o1 903031059 AXZVDSRTZYMLAB-OAHLLOKOSA-N 258.365 3.713 30 20 CHED C[C@H](NCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1O 903100328 NVVPXRJDLALHTO-QMMMGPOBSA-N 287.190 3.899 30 20 CHED C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1F 903335337 NZKUYMTXDDXWFM-XIKOKIGWSA-N 295.361 3.894 30 20 CHED N#Cc1cccc([C@@H]2C[C@H]2c2nc(-c3ccccc3)no2)c1 904238962 GCUGRTXOYWVBEF-JKSUJKDBSA-N 287.322 3.879 30 20 CHED CCOc1ccc2ccccc2c1C(=O)N[C@@H](C#N)C(C)C 904520230 GDKSRGQNWGYGGJ-HNNXBMFYSA-N 296.370 3.516 30 20 CHED Cc1ccsc1-c1ccc(F)c(C[C@H](C#N)CO)c1 904782523 RJVGTVYNNOMSRG-LLVKDONJSA-N 275.348 3.537 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1ccsc1C#N 905257665 VHFMPTBDYVNBTP-LLVKDONJSA-N 276.405 3.661 30 20 CHED CC(C[C@H]1CCOC1)=NNc1ccc(Cl)cc1C 905512063 WIRJWGANDHOAIU-GFCCVEGCSA-N 266.772 3.863 30 20 CHED CCOc1ccc(/C=N/Cc2cccc(F)c2)c(O)c1 914773632 NQROOHCGGZHSNT-WOJGMQOQSA-N 273.307 3.549 30 20 CHED CCCCCCCCCNC(=O)N(C)C[C@H](C)C#N 916194223 MUMXAQNSBIMSQW-CQSZACIVSA-N 267.417 3.538 30 20 CHED N#C[C@@H](C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2ccccc2n1 916848522 DDQBQZLUBWJHLG-ARLBYUKCSA-N 290.366 3.847 30 20 CHED CCCCCCCCCN(C)C(=O)[C@H](C)n1cccn1 918669034 ZQICKMUUSOCLKI-HNNXBMFYSA-N 279.428 3.653 30 20 CHED C#Cc1cccc(NC(=O)NC[C@@H](C)c2ccc(F)cc2)c1 920054407 MDEJXSPICRTSLU-CYBMUJFWSA-N 296.345 3.732 30 20 CHED CCON=C1CCSc2ccc(Br)cc21 920371225 GTRYXXWABWHKGH-UHFFFAOYSA-N 286.194 3.686 30 20 CHED C=CCOC(=O)CCCCOc1cc(C)ccc1C 920691571 DJBARMRHBVWIIK-UHFFFAOYSA-N 262.349 3.582 30 20 CHED Fc1cccc2c1OCCC2=NOCc1ccccc1 921257649 LTXPLXWDIBGJRA-UHFFFAOYSA-N 271.291 3.529 30 20 CHED C=Cc1ccc(CCN[C@@H](C)CC(C)(C)C#N)cc1 926457353 IRHQFQSPQSGBIO-AWEZNQCLSA-N 256.393 3.790 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccc2nc(O)oc2c1 926792261 YRRAPOCGLCVLJH-WDEREUQCSA-N 287.363 3.512 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(NC(=O)C2CC2)c1 929872629 IWSMEWQAKWHUNO-LBPRGKRZSA-N 286.375 3.576 30 20 CHED CCOC[C@@H]1CCCCN1CCCCC1(C#N)CCC1 930698168 XQZCXASCIISPTL-INIZCTEOSA-N 278.440 3.742 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 933001849 CCDXPECDRGDAQL-UNEWFSDZSA-N 282.387 3.660 30 20 CHED CCOc1cc(C)ccc1NC(=O)c1cc(C#N)ccc1F 1125192120 LWTNNWCZEFRFPV-UHFFFAOYSA-N 298.317 3.657 30 20 CHED CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)cc1F 1129654409 ZWMKFRBJFQXIRR-DZGCQCFKSA-N 288.366 3.642 30 20 CHED N#CC1(Cc2nnc(C3CCCC3)o2)CCCCC1 1257553001 NAYAEIMCSNLFMW-UHFFFAOYSA-N 259.353 3.744 30 20 CHED C=CC(C)(C)CNC(=O)CCCCCc1ccc(O)cc1 1261273608 UCYHWAYPGHRLIG-UHFFFAOYSA-N 289.419 3.824 30 20 CHED COC[C@@H](NCCCCC1(C#N)CCC1)c1ccccc1 1262238262 VLMGWFYYOUACHP-QGZVFWFLSA-N 286.419 3.828 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)C1 1264797851 ZOWDNAZBLQWDMB-NWDGAFQWSA-N 290.794 3.768 30 20 CHED CC1(C)CC(NC(=O)c2ccc(C#N)s2)CC(C)(C)C1 1266700326 HKVZIBZUBPYTCS-UHFFFAOYSA-N 290.432 3.954 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H](C)C1CCCCCC1 1268837176 IPDMFRHHSDOBHQ-AWEZNQCLSA-N 284.403 3.955 30 20 CHED Cc1coc(Sc2c(Br)cccc2C#N)n1 1307095107 WVFVZGIGNQIBOO-UHFFFAOYSA-N 295.161 3.768 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@@H]2Cc2ccccc2)C1 1308830269 SKYOFBBHPVOBPW-MLHJIOFPSA-N 268.404 3.680 30 20 CHED COc1cc(O)ccc1C=NNc1ccc(Cl)c(F)c1 1319045993 MQBLBAOJSKCMAR-UHFFFAOYSA-N 294.713 3.639 30 20 CHED C#CCN(Cc1csc(-c2ccsc2)n1)CC1CC1 1319458238 KEVXWMVPRJFHQE-UHFFFAOYSA-N 288.441 3.717 30 20 CHED COc1cc(C=NNc2cc(F)cc(F)c2)ccc1F 1320165901 PWGISRMMHOQFEN-UHFFFAOYSA-N 280.249 3.559 30 20 CHED C=C(C)CNC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1324247702 ZLCHJMNWDLGKQC-UHFFFAOYSA-N 271.404 3.924 30 20 CHED C=C[C@H](COC)NCc1ccc(OCc2ccccc2)cc1 1325617185 WMBQTXZOKQXHLT-GOSISDBHSA-N 297.398 3.556 30 20 CHED CC(C)=CCCOC(=O)C[C@H](CC#N)c1ccccc1 1327118720 UKRKWTYJBCQKGC-INIZCTEOSA-N 271.360 3.973 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccccc1-n1cccn1 1334107036 BVFINGFQDFNBCF-ZDUSSCGKSA-N 268.364 3.613 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21 1336758035 CQELIIZOLSMNTH-ZBFHGGJFSA-N 285.387 3.510 30 20 CHED C=CCCc1nnc(-c2ccc(Br)s2)o1 1341571031 NSILRIAEGKNTQI-UHFFFAOYSA-N 285.166 3.679 30 20 CHED CC(C)(NCCCSCC#N)C1CCCCC1 1343970192 HBKQYUQBCBAHMC-UHFFFAOYSA-N 254.443 3.582 30 20 CHED CCCCCCCCCc1nnc(-c2ncccn2)o1 1345580792 UMELSNONOBXKRN-UHFFFAOYSA-N 274.368 3.820 30 20 CHED CC(C)N(Cc1ccccc1)C(=O)c1cc(C#N)ccc1F 1354464950 QQPALOJARGHLGD-UHFFFAOYSA-N 296.345 3.748 30 20 CHED Cc1ccc([C@H](C)NC(=O)[C@@H](CC#N)c2ccccc2)s1 1355855627 WDMBOZBNFBXXKK-ZFWWWQNUSA-N 298.411 3.931 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2cc3c(F)cccc3s2)C1 1357612502 XSTOOVNQAJAIBY-NXEZZACHSA-N 289.331 3.889 30 20 CHED CC(C)c1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cn1 1439539586 MSWHEHLLLQMOHO-MRXNPFEDSA-N 293.370 3.841 30 20 CHED CCN(C/C=C\c1c(C)cc(C)cc1C)CCC#N 1462043629 FWQITINMELJYIL-VURMDHGXSA-N 256.393 3.861 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 1472302056 ZCOJLOQADDTQBV-NSHDSACASA-N 291.310 3.593 30 20 CHED C#C[C@H](OC(=O)c1cc(C(C)C)nn1CC)c1ccccc1 1514808601 MYHZBFWEEHPEDZ-KRWDZBQOSA-N 296.370 3.558 30 20 CHED C=C(CC)C(=O)N1CCc2cccc(C(F)(F)F)c2C1 1520363743 BXSWXYIOLGUVKA-UHFFFAOYSA-N 283.293 3.556 30 20 CHED CCC(CC)C(=O)[C@H](C#N)c1nccn1Cc1ccccc1 1524683463 QKRFFTCWLZELOV-INIZCTEOSA-N 295.386 3.544 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)ccc1Cl 1525048255 CPQUKFWFOYUQQI-DGCLKSJQSA-N 277.751 3.888 30 20 CHED Cc1c(C#N)cccc1C(=O)OCc1ccc2occc2c1 1525622459 DRQXZZQMSSETAS-UHFFFAOYSA-N 291.306 3.970 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H](C)CC1CCCC1 1533137898 GBAALPKQVDOHQR-LBPRGKRZSA-N 298.386 3.916 30 20 CHED Cc1cc(N[C@@H]2CCC[C@H]2C(C)(C)C)ncc1C#N 1559209507 DDHSVVVXLWALNU-ZIAGYGMSSA-N 257.381 3.888 30 20 CHED CCOc1ccc(C#N)cc1NCc1nc(Cl)cs1 1560743840 AVSKGENDLLZRFT-UHFFFAOYSA-N 293.779 3.679 30 20 CHED C=C[C@@H](N[C@H](c1ccc(CC(C)C)cc1)C1CC1)C(=O)O 1588697349 UCZUAXSODGVSET-IAGOWNOFSA-N 287.403 3.565 30 20 CHED CCCCCCCC(=O)Nc1cc(C)c(C(=O)O)c(C)n1 1595704844 IYFBXKFEAQCTTO-UHFFFAOYSA-N 292.379 3.696 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(F)c1 1598328143 ZIXRLUDMJBBNJA-GFCCVEGCSA-N 282.318 3.531 30 20 CHED CC(C)(C)c1ccc(C#N)c(NC2CCCCC2)n1 1611728191 NDWWFZMWMQHEJN-UHFFFAOYSA-N 257.381 3.995 30 20 CHED CN(Cc1cccc(C#N)c1F)c1cccc2cccnc12 1645460886 ZYYQRDNAMNMVIB-UHFFFAOYSA-N 291.329 3.882 30 20 CHED C[C@@H](NCc1csc(Cl)n1)c1ccc(C#N)cc1 1645613904 GGYLABBTJXDHTD-SECBINFHSA-N 277.780 3.519 30 20 CHED Cc1cc(NC[C@H](C)Cc2cccs2)ncc1C#N 1650803592 LBZRHOTWBVPKLZ-LLVKDONJSA-N 271.389 3.614 30 20 CHED CC(C)CC1CCN(c2nc(C#N)c(Cl)s2)CC1 1650831604 DJKJFKFAJYLBGA-UHFFFAOYSA-N 283.828 3.931 30 20 CHED CCNc1ccccc1CNc1cccc(C#N)c1 1650844188 JINGFWQDKZTEFV-UHFFFAOYSA-N 251.333 3.602 30 20 CHED CNc1ccccc1CNc1cc(C)cc(C#N)c1 1651211182 WYEDUQJRSYRGFX-UHFFFAOYSA-N 251.333 3.521 30 20 CHED Cc1cc(S[C@H]2CCc3ccccc3C2)ncc1C#N 1652034277 GULMXOYKFAPFMP-INIZCTEOSA-N 280.396 3.911 30 20 CHED CC(C)(C#N)CNC(=O)NCC1CC(C)(C)CC(C)(C)C1 1686073912 JFDRXPAHKRCDGL-UHFFFAOYSA-N 293.455 3.688 30 20 CHED C[C@H]1CCCCCC1=NNc1ccccc1C(=O)O 1776031211 SLGQXLIBCORPCL-NSHDSACASA-N 260.337 3.753 30 20 CHED CC[C@H](NN=C1CCCC[C@@H]1C1CCCCC1)C(=O)O 1776066203 TVVCVZGSCXBMHS-KGLIPLIRSA-N 280.412 3.566 30 20 CHED C=CCCCCCN1CCC(CC(C)C)(C(=O)O)CC1 1776173366 FFTJDRJRYHCJFC-UHFFFAOYSA-N 281.440 3.946 30 20 CHED C#CCOc1cccc(NC(=O)N(C)[C@H](C)c2ccco2)c1 108519942 KOVBTFYESOVXND-CYBMUJFWSA-N 298.342 3.517 30 20 CHED Cc1ccc(-c2ccsc2C(=O)N(C)CCC#N)cc1 57814342 DURWUJRWOUKPHU-UHFFFAOYSA-N 284.384 3.709 30 20 CHED C[C@@H](C#N)CNCc1ccc(SC(F)(F)F)cc1 54179091 NUJWSJJNNCEZJP-VIFPVBQESA-N 274.311 3.548 30 20 CHED C=CC[C@@H](C)NC(=O)C1(c2cccc(Cl)c2)CCC1 116857799 BTHGYZYGEMIFTH-GFCCVEGCSA-N 277.795 3.843 30 20 CHED Cc1cc(C)c2c(c1)OC/C(=C\c1cc(C#N)cs1)C2=O 176843628 FZJKDXMRQZAFCQ-AWNIVKPZSA-N 295.363 3.895 30 20 CHED CCC(CC)CN(CCC#N)C[C@H](O)c1ccc(F)cc1 173554422 XEOLHBCVNNGPAQ-KRWDZBQOSA-N 292.398 3.511 30 20 CHED Cc1cccc(C)c1C[S@@](=O)CCCC(C)(C)C#N 178105598 NOFOJTMLGYTSRN-IBGZPJMESA-N 277.433 3.882 30 20 CHED C[C@@H](CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1F 102607327 SXNGGZJWBUOCBF-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED C=CC1CCN(C(=O)N[C@@H](C)c2ccc(C)cc2)CC1 111460519 ZWUVFECJTUEDII-AWEZNQCLSA-N 272.392 3.664 30 20 CHED Cc1sc(NC(=O)c2ccc3c(c2)CCC3)c(C#N)c1C 57948820 LIHSXXWKJRDHBL-UHFFFAOYSA-N 296.395 3.978 30 20 CHED C=CC[C@H](C)NC(=O)N(C)CCC1CCCCC1 116973423 UCNIIYSMARWOGH-ZDUSSCGKSA-N 252.402 3.563 30 20 CHED C=C(C)CNc1nc(-c2ccc3c(c2)COC3)cs1 66938786 HJLQXGBASIJDFM-UHFFFAOYSA-N 272.373 3.828 30 20 CHED Cc1c(C#N)cccc1NC(=O)C1CCCCCC1 178383884 FDKSLPIBPIXCHV-UHFFFAOYSA-N 256.349 3.776 30 20 CHED Cc1cc(C)cc(C[C@@H](C)Nc2cccc(C#N)n2)c1 301846346 MTDOOWMXCMVPAX-CQSZACIVSA-N 265.360 3.613 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N(CC)C[C@@H](C)C#N 114318490 XAWJGIYJFIDOHU-DZGCQCFKSA-N 264.413 3.601 30 20 CHED CC#CCN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 119407362 GHRFHAYIGOWNHF-NSHDSACASA-N 288.391 3.932 30 20 CHED Cc1ccc(CN(C)c2nc3c(cc2C#N)CCCC3)s1 301905018 YKLLHOJYRFBBPV-UHFFFAOYSA-N 297.427 3.838 30 20 CHED CCCCC[C@@H](C)CC(=O)N[C@@](C)(C#N)C(C)C 172946623 SBXLZCUDQDJZGF-HIFRSBDPSA-N 252.402 3.647 30 20 CHED CCCN(C)c1c(C#N)cnc2c(C)cc(C)cc12 301405930 LPZKWGUBSQPWMW-UHFFFAOYSA-N 253.349 3.570 30 20 CHED C/C(=C\C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1Cl 170759824 BJHUVPCBJIKDMW-ONOODXEBSA-N 290.794 3.798 30 20 CHED Cc1ccc(CC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 25438816 RBEIACFOHDDJNX-UHFFFAOYSA-N 292.382 3.977 30 20 CHED C[C@@H]1CCCC[C@H]1OCCNCC(C)(C)CCC#N 174284928 YVCYVZXUSQVYIP-HUUCEWRRSA-N 266.429 3.501 30 20 CHED Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(C#N)cn2)C1 301338351 DDWVUSDQUFKALT-GDBMZVCRSA-N 277.371 3.644 30 20 CHED C[C@@H]1Cc2ccccc2[C@@H]1NCC(C)(C)CCC#N 348213349 ITHHDMWEKRTBLG-CZUORRHYSA-N 256.393 3.839 30 20 CHED Cc1ccccc1[S@](=O)CCCCC(C)(C)C#N 235795702 YWPVXIRKNZNAIA-GOSISDBHSA-N 263.406 3.823 30 20 CHED C=CCOCCCC(=O)Nc1ccc(-c2ccccc2)cn1 173694020 ULPYBKBJWOHCSQ-UHFFFAOYSA-N 296.370 3.670 30 20 CHED C=CCOc1cccc(CN(C)Cc2csc(C)n2)c1 125019716 VQFHHCDHXPXRRI-UHFFFAOYSA-N 288.416 3.648 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(C#N)cc1 68709065 UARGEEURANRTLT-DLBZAZTESA-N 284.403 3.576 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC[C@@H](C)CC2)c1 68865865 XXRQZTFNVZOFIF-CQSZACIVSA-N 288.391 3.905 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cccc(F)c1F 1514860044 VBYRXQIYWMLTKB-NSHDSACASA-N 265.303 3.536 30 20 CHED N#Cc1ccc(NCCc2ccc(C(F)(F)F)cc2)cn1 301502175 BGROBONSTFMNLV-UHFFFAOYSA-N 291.276 3.627 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc([C@H](C)CC)no1 121527162 MGEFPNUOCBMUGP-GFCCVEGCSA-N 291.395 3.780 30 20 CHED CCSc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccn1 187789548 XGBPJTZJZJBQCT-CYBMUJFWSA-N 297.427 3.916 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1F 212109694 UVKGOZYIUFBQNM-XQRVVYSFSA-N 260.264 3.632 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCOc1ccccc1C#N 303694685 MZJLBACBARTDDA-HLLBOEOZSA-N 284.403 3.590 30 20 CHED COc1cccc(/C=C2/COc3cc(C)cc(C)c3C2=O)c1 214015540 FQVUIVITMLHSHC-DHDCSXOGSA-N 294.350 3.971 30 20 CHED Cc1ccc(CN(C)C(=O)/C=C/c2ccccc2C#N)s1 76174919 QTSKLYDGGSTKMQ-CSKARUKUSA-N 296.395 3.600 30 20 CHED CSc1cccc(N(C)Cc2cc(C#N)cs2)c1 184750799 SWAUBTVQQMMCHJ-UHFFFAOYSA-N 274.414 3.978 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(O[C@@H](C)CC)cc1 410825366 FVJFAWRRIRITHD-DZGCQCFKSA-N 288.391 3.628 30 20 CHED Cc1nnc([C@@H](C)S[C@H](C)c2ccc(C#N)cc2)o1 125635142 AEPOMXIXINFBCV-NXEZZACHSA-N 273.361 3.805 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc(C)n(C2CCCCC2)n1 410143223 PEVQVGWVNGTODK-AWEZNQCLSA-N 289.423 3.781 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(CC#N)C2CCCC2)cc1 125323559 GCFUHPRLFGGXCP-CQSZACIVSA-N 284.403 3.647 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](c1ccncc1)C(C)C 503946688 RKTGWFMUTTZLGU-GDBMZVCRSA-N 274.408 3.682 30 20 CHED CC#CCCCC(=O)N(C)[C@H](C)c1sc(CC)nc1C 185655057 UDPKXBPHFMSVBF-CYBMUJFWSA-N 292.448 3.727 30 20 CHED CC[C@@H](CC(=O)N1CCc2cc(C#N)ccc21)C(C)C 416013730 NUOXYRSUACUWKB-AWEZNQCLSA-N 270.376 3.520 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)NCCCCC#N)CC1 188522771 ASTNOIBQAHODTM-LSDHHAIUSA-N 293.455 3.974 30 20 CHED CCc1ccc([C@@H](C)NC(=O)c2cccc(C#N)c2)cc1 36623103 MDTDNKQTRBBJNU-CYBMUJFWSA-N 278.355 3.612 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCC[C@H](Nc2ccccc2)C1 188910963 OQKLGYOOQKJEFJ-FUHWJXTLSA-N 286.419 3.692 30 20 CHED C=C(C)CN(C)C(=O)c1cc2c(s1)CCCCC2 180377833 KIMVECUYIRUKMT-UHFFFAOYSA-N 263.406 3.665 30 20 CHED CCCCOc1ccc(CN(CC)C[C@@H](C)C#N)cc1 509771314 FHJIWMVAIZVPCZ-HNNXBMFYSA-N 274.408 3.847 30 20 CHED CC(C)(C#N)CC[S@@](=O)[C@@H]1CCCc2ccccc21 123527648 FNOYLZXIFJAGOA-BEFAXECRSA-N 275.417 3.753 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)c1coc(CCC)n1 413986098 LFSRPRBXVMLVIG-HNNXBMFYSA-N 298.386 3.544 30 20 CHED CC#CCSc1nnc(-c2c(C)cc(C)cc2C)o1 78971785 ADOVRFKOGKUJQN-UHFFFAOYSA-N 272.373 3.777 30 20 CHED CCCCCCCCCC(=O)N1CCC(CC(=O)O)CC1 128546901 PNDCZSBYLFTZDI-UHFFFAOYSA-N 297.439 3.840 30 20 CHED N#CCCSCc1cc(F)ccc1Br 413013265 NVMBXUNDVWNTEL-UHFFFAOYSA-N 274.158 3.735 30 20 CHED C=CCCCCCOc1ccc(C2(NC(C)=O)CC2)cc1 419127347 PSOINGXGAHCLSM-UHFFFAOYSA-N 287.403 3.937 30 20 CHED C=CCCC1(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)CC1 412458605 CTCOQVGKIZSFEM-HUUCEWRRSA-N 261.409 3.675 30 20 CHED CCCCCC(=O)N(CCC#N)c1ccc(F)cc1 72678556 FTUORBRNOSXGLO-UHFFFAOYSA-N 262.328 3.653 30 20 CHED C=CCC1(C(=O)Nc2nc(CC)c(C)s2)CCC1 189061213 WNYPLBIOCVYRJI-UHFFFAOYSA-N 264.394 3.699 30 20 CHED C[C@H](C#N)CNCc1ccc(-c2ccccc2Cl)o1 183813919 OWTPSGNDVAPFHG-LLVKDONJSA-N 274.751 3.849 30 20 CHED N#Cc1cccc(CNc2nnc(CC3CCCCC3)o2)c1 181971361 ZTPRHJAEKWCQBX-UHFFFAOYSA-N 296.374 3.676 30 20 CHED C#Cc1cccc(NC(=O)N2CCCC[C@@H]2CCC)c1 183492691 GRYUBMHPJREUHZ-INIZCTEOSA-N 270.376 3.854 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)CCOc1ccccc1 410138607 GZBAJAXZHNANRW-CABCVRRESA-N 275.392 3.563 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 410628488 XRHGCXJZILYEJF-FMKPAKJESA-N 264.413 3.647 30 20 CHED Cc1noc(C)c1N=C(O)[C@@H]1C[C@@]12CCOc1ccccc12 329737590 TWGAEFYMIPXLLY-SUMWQHHRSA-N 298.342 3.620 30 20 CHED CC[C@@H](N[C@H]1C[C@@H](OC(C)C)C1)c1ccc(C#N)cc1 414135907 FBPKDOUJASIASX-IXDOHACOSA-N 272.392 3.555 30 20 CHED CC(C)[C@H]1CCCCN1Cc1ccc(F)cc1C#N 609767162 SWHSJFNKPRLVKB-MRXNPFEDSA-N 260.356 3.708 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 410628589 XRHGCXJZILYEJF-IIAWOOMASA-N 264.413 3.647 30 20 CHED C=CC[C@H](C)NC(=O)Nc1c(OC)cccc1SC 417695506 UNLBWXHNUZTQFQ-JTQLQIEISA-N 280.393 3.503 30 20 CHED C[C@H](NCCCC#N)c1cc(Cl)ccc1Cl 132056898 ZFACMNXHRFLAFX-VIFPVBQESA-N 257.164 3.948 30 20 CHED CSCc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 193327525 AGGXLCFMYBDCNV-XJKSGUPXSA-N 274.433 3.722 30 20 CHED C#C[C@H](CC)NCc1ccc(F)c(Cl)c1Cl 381566474 USIBXDFKYVSTIT-SECBINFHSA-N 260.139 3.634 30 20 CHED CC(C)(C)c1ccncc1CNCc1ccc(C#N)c(F)c1 421387609 UBRCXZWRRUSNQV-UHFFFAOYSA-N 297.377 3.680 30 20 CHED CC[C@@H](c1ccccc1)[C@H]1CCCN1c1cncc(C#N)n1 420581967 HXNZIRMYEDLBGO-DLBZAZTESA-N 292.386 3.511 30 20 CHED CC(C)(C)C1=CCN(C(=O)c2cccc(F)c2C#N)CC1 427643687 BLNPQHNMBIGPQA-UHFFFAOYSA-N 286.350 3.516 30 20 CHED O/C(=N/[C@@H]1CCOc2ccccc21)c1cccnc1C1CC1 329668245 RWZNCLCEIIYJGC-OAHLLOKOSA-N 294.354 3.787 30 20 CHED N#Cc1cccc(COc2c(F)c(F)cc(F)c2F)c1F 223535881 LCXGXQKYDPZXRZ-UHFFFAOYSA-N 299.198 3.833 30 20 CHED C=C(C)CCc1noc(-c2cc(Br)co2)n1 420502329 JYOOKEOZTSNPMR-UHFFFAOYSA-N 283.125 3.601 30 20 CHED CCCOc1cccc(NCCOc2ccc(C#N)cc2)c1 513213800 VPLUABWJRQZVJQ-UHFFFAOYSA-N 296.370 3.838 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)c1ccccc1 192164809 AVVXUDTVPDPDJW-KGLIPLIRSA-N 282.362 3.979 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cc(OC)c(Cl)cc1OC 425401317 GWZGHJVPFHWBES-UHFFFAOYSA-N 297.782 3.898 30 20 CHED CC(C)(C#N)NC(=O)CCCc1ccc(Cl)c(Cl)c1 80010388 ZFMMWXQXNYRJJA-UHFFFAOYSA-N 299.201 3.734 30 20 CHED CC1(CC(=O)NC2(C#N)CCC(C(C)(C)C)CC2)CC1 332106139 CYPYRSJOOIDCHQ-UHFFFAOYSA-N 276.424 3.791 30 20 CHED Cc1cccc(C)c1C(=O)Nc1cccc(C#N)c1C 336365621 BQIYOUCXANEODD-UHFFFAOYSA-N 264.328 3.736 30 20 CHED C=CCCNC(=O)c1ccc(C(F)(F)F)cc1Cl 617617141 XGDAUZMOBKMOFL-UHFFFAOYSA-N 277.673 3.665 30 20 CHED CCC[C@H](C#N)NC(=O)C(c1ccccc1)c1ccccc1 89527820 NRPRERYIFTYFGR-QGZVFWFLSA-N 292.382 3.627 30 20 CHED CC[C@H](CC#N)NC(=O)c1cc2cccc(Cl)c2s1 517939008 GZJZHEAWKCIEIQ-SNVBAGLBSA-N 292.791 3.977 30 20 CHED C=CCNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 93886976 LYNNQDQTVZKLBF-CYBMUJFWSA-N 298.308 3.642 30 20 CHED C#CCOc1ccc(CNCCSc2ccccc2)cc1 236691104 KRRATFPIKKVMSJ-UHFFFAOYSA-N 297.423 3.581 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 425114817 SXBNQHXWNIMTRE-VZEFYGNVSA-N 282.387 3.514 30 20 CHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@H](Cc3ccccc3)C2)C1 424192193 IQUBLRWFILIFIZ-TVFCKZIOSA-N 268.404 3.680 30 20 CHED CCCCCCCCn1cnc2ccccc2c1=O 95882308 HGBUDWKPSCMBAX-UHFFFAOYSA-N 258.365 3.757 30 20 CHED N#Cc1cc(F)ccc1NC(=O)NCCC1=CCCCC1 97036392 SOMPBCDCLPQVCW-UHFFFAOYSA-N 287.338 3.709 30 20 CHED COc1cc(OCCCc2ccccc2OC)ccc1C#N 435794049 HDYSYBHNUCNZPD-UHFFFAOYSA-N 297.354 3.587 30 20 CHED CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCC(C)(C)C1 527282262 JEVMTSHKHQYULK-ZDUSSCGKSA-N 290.794 3.862 30 20 CHED C[C@H](NCc1nc(C2CC2)cs1)c1ccc(C#N)cc1 182023605 MXGOZZXHVNIOBL-NSHDSACASA-N 283.400 3.743 30 20 CHED CC(C)N(C)Cc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 248745119 FLFUXNRGJRKBRA-VQIMIIECSA-N 299.462 3.699 30 20 CHED N#C[C@H](C(=O)c1sccc1C1CC1)c1ccccn1 342570131 BFGGVFPQWSOAMZ-LBPRGKRZSA-N 268.341 3.511 30 20 CHED CCc1ccc([C@H]2CCN(c3snc(C)c3C#N)C2)cc1 431503181 VYTKJMQSWVVGPB-HNNXBMFYSA-N 297.427 3.880 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2cccnc2)C1 248882109 LAKAIGKNYIYZHG-ATZDWAIDSA-N 291.398 3.843 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CC1CCCC1 436293954 WKQUIBPPRVUYJJ-BPUTZDHNSA-N 251.414 3.526 30 20 CHED Cc1ccc(C#N)c(NC2CC(c3cc(F)cc(F)c3)C2)n1 343047876 ZFIFTTNBQOPKRI-UHFFFAOYSA-N 299.324 3.898 30 20 CHED N#CCC[C@H](C#N)CNC[C@@H]1CCC[C@@H]1c1ccccc1 520377416 JDFXOHYCGWMPFZ-BPQIPLTHSA-N 281.403 3.603 30 20 CHED CC(C)(C)CCCCNC(=O)c1ccccc1CC#N 601042132 VMYUGOOLQSQZBG-UHFFFAOYSA-N 272.392 3.699 30 20 CHED C=CCC1(C(=O)N2CCC(SC)CC2)CCCCC1 601687857 DRAFQJDSIFGGLI-UHFFFAOYSA-N 281.465 3.867 30 20 CHED N#Cc1c[nH]c(C(=O)Nc2ccc(-c3ccco3)cc2F)c1 347748127 AZJQCDNNFRBSTF-UHFFFAOYSA-N 295.273 3.538 30 20 CHED C=CCCCCCN(C)C(=O)NCc1sccc1C 523569943 JYOYDAOZUBGKRH-UHFFFAOYSA-N 280.437 3.944 30 20 CHED CC(C)(CCNC(=O)c1ccc(C#N)cc1)c1ccccc1 604376736 QUYWOUGFXOCOQC-UHFFFAOYSA-N 292.382 3.656 30 20 CHED O=C(/C=C\c1cnc2ccccn12)c1ccc(F)c(F)c1 255396192 XAUCZXBITTWQQN-ALCCZGGFSA-N 284.265 3.509 30 20 CHED O=[N+]([O-])c1cccc(N=Cc2cc3ccccc3nc2O)c1 255121893 JLEPGBHNBUXLDO-UHFFFAOYSA-N 293.282 3.599 30 20 CHED C[C@@H]1CN(Cc2ccc(F)cc2C#N)CC(C)(C)C1 541327272 XPRRBYZWZNRSAM-LBPRGKRZSA-N 260.356 3.565 30 20 CHED C=C(C)CCc1noc(Cc2cc(C)c(Cl)cn2)n1 528194070 YBRPCUVXVZVDMS-UHFFFAOYSA-N 277.755 3.526 30 20 CHED CCC(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 255423005 GQBMJIXFRAEBOD-UHFFFAOYSA-N 298.298 3.644 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c(C)[nH]1 604342712 BGJXTLCMSVXUST-UHFFFAOYSA-N 297.358 3.543 30 20 CHED N#C[C@H](C(=O)c1cc(F)c2ccccc2c1)c1ccccn1 344728821 DKYJBDNXLDNYDV-HNNXBMFYSA-N 290.297 3.864 30 20 CHED COc1cccc(C(=O)/C=C\c2ccc(C#N)s2)c1 255037686 MAKIGARNVAJYTN-FPLPWBNLSA-N 269.325 3.524 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)N(C)c1cccc(C#N)c1 609566843 RKWQYHWSWDJCTQ-QGZVFWFLSA-N 292.382 3.790 30 20 CHED C=CCCOCCN[C@@H](c1ccc(C)o1)C1CCC1 349774716 ISYAKFSZURQUFM-MRXNPFEDSA-N 263.381 3.612 30 20 CHED Cc1nc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cs1 344099413 KLYKHAHDRNHPME-QWRGUYRKSA-N 271.389 3.735 30 20 CHED CCCCCCCCCN1CC[C@H](C)C[C@H]1C(=O)O 253150864 GHEGFVHVKNUKOY-GJZGRUSLSA-N 269.429 3.922 30 20 CHED C=CCN(C)Cc1cc(F)c(C(F)(F)F)cc1F 347185173 CBRPPAJKJOLIRS-UHFFFAOYSA-N 265.225 3.601 30 20 CHED CN(CCC1CCCCC1)C(=O)[C@]1(C#N)CC12CCCC2 448862125 RWAUACWRGJQACC-GOSISDBHSA-N 288.435 3.889 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1cc2c(s1)CCCC2 527483334 KPYHERKMYSWWSF-INIZCTEOSA-N 277.433 3.845 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC)c1ccc(Cl)s1 449863084 CNMNKDWQCQZTDJ-MXWKQRLJSA-N 299.823 3.560 30 20 CHED Cc1cc(NCc2cc(C#N)n(C)c2)ccc1C1CC1 359686917 OFNJLRBDSFMVJP-UHFFFAOYSA-N 265.360 3.695 30 20 CHED N#Cc1c(F)cccc1N1CC[C@@H](Cc2ccc(F)cc2)C1 609914585 NTKHWRJNPZOJML-AWEZNQCLSA-N 298.336 3.905 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C(C)C)nn1CC 537231945 QYFQREULHARLLA-ZDUSSCGKSA-N 277.412 3.501 30 20 CHED C=CCCC1(C(=O)Nc2nnc(C(C)(C)C)s2)CC1 354985404 ZELHCGRDMAQDSB-UHFFFAOYSA-N 279.409 3.521 30 20 CHED CCCN(CC)Cc1cn(CCC#N)nc1-c1ccccc1 269380996 XQNPSMMGLRACIY-UHFFFAOYSA-N 296.418 3.696 30 20 CHED CC[C@@H](CC(F)(F)F)Nc1ncc(C#N)cc1Cl 354604652 MVQGIMMKACTYKR-QMMMGPOBSA-N 277.677 3.750 30 20 CHED C[C@@H](c1ccc(C(C)(C)C)cc1)n1cc(CCC#N)nn1 603217790 LSVNETDNESGFKA-ZDUSSCGKSA-N 282.391 3.641 30 20 CHED Cc1nc(C)c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 618803285 HWDXARNZOQLEND-BDJLRTHQSA-N 297.427 3.970 30 20 CHED CCC(CC)CN(CCC#N)Cc1ncc(Cl)s1 352010422 DKYGZBNTOZQASR-UHFFFAOYSA-N 285.844 3.948 30 20 CHED Cc1nc(CN(CCC#N)CCC(C)C)c(C)s1 443613585 ITNVGADQXISNPJ-UHFFFAOYSA-N 265.426 3.522 30 20 CHED C[C@@H](c1ccccn1)N(C)c1nc(C(C)(C)C)ccc1C#N 613416862 ZPMPCKKGVQLCBG-ZDUSSCGKSA-N 294.402 3.843 30 20 CHED CCN(CCC#N)C(=O)c1sc2cc(F)ccc2c1C 354468421 NFOGEOJOIAWRMO-UHFFFAOYSA-N 290.363 3.725 30 20 CHED C[C@H](NC(=O)NCCCC#N)c1ccc(F)c2ccccc12 355084893 PGSBGTVQSINKOH-LBPRGKRZSA-N 299.349 3.643 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@H](CC)CC(F)(F)F)C1 617776873 CUESMXDJXPNKOJ-VXGBXAGGSA-N 277.330 3.780 30 20 CHED C=CC[C@@H](CO)CN[C@H](CCC(C)C)c1ccoc1 353625579 VYUDIBMQDPCMSZ-GDBMZVCRSA-N 265.397 3.531 30 20 CHED CO[C@@H]1CCC[C@@H]1CNc1cc(C#N)ccc1C(F)(F)F 539602892 UBNKURTUYHGMDX-BXUZGUMPSA-N 298.308 3.804 30 20 CHED CC(C)C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612366850 XWUYGFIHZZZWJK-IEBWSBKVSA-N 298.430 3.969 30 20 CHED Cc1noc([C@H](C)SCc2ccc(Cl)cc2C#N)n1 614063318 LTLOJFKPATXHLS-QMMMGPOBSA-N 293.779 3.898 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@H](CCC)C(C)C)C1 617781756 UAPJWDQBDRFNEV-GJZGRUSLSA-N 251.414 3.873 30 20 CHED C=CCC(C)(C)c1nc(C2(OC)CCCCC2)no1 453240680 OLUZNKSEVTZHNO-UHFFFAOYSA-N 264.369 3.729 30 20 CHED CC[C@H](C)c1ccc(N/C(N)=N/Cc2cc(C)ccn2)cc1 263185771 UVMLENPCMWIUNY-AWEZNQCLSA-N 296.418 3.830 30 20 CHED CCCN(CC(C)C)C(=O)Nc1ccc(F)cc1C#N 530722058 VQMJTIXSEVZXMY-UHFFFAOYSA-N 277.343 3.597 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(CN(CC)CC)cc1 451087579 OUBYMXRYVYKCKV-UHFFFAOYSA-N 274.408 3.679 30 20 CHED Cc1ccnc(N2CC[C@H](C)C[C@@H]2c2ccco2)c1C#N 612085310 ZGMOFLRJWTXWHB-SWLSCSKDSA-N 281.359 3.832 30 20 CHED C=CCCCCCN(C)C(=O)c1ccccc1CN(C)C 362819965 IYXYRBBIKMKRDB-UHFFFAOYSA-N 288.435 3.567 30 20 CHED C=CCCCCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 451477733 IMUPLPJIALVAOW-ZNMIVQPWSA-N 251.414 3.526 30 20 CHED C=C[C@@H](CC(=O)Nc1n[nH]cc1C(C)C)c1ccccc1 456729819 HULIVRVFEOFEAB-ZDUSSCGKSA-N 283.375 3.832 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](C)c1sc(CC)nc1C 455304069 BRMISCOQBADJAM-GFCCVEGCSA-N 295.452 3.683 30 20 CHED C=CCC[C@@H](C(=O)N[C@@H](C)C(C)(F)F)c1ccccc1 452875166 SHOGYZBHYZNAAO-GXTWGEPZSA-N 281.346 3.896 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2ccccn2)C1 365709272 JBLCPZVVJMULNL-SUMDDJOVSA-N 291.398 3.843 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2c([nH]c3ccccc23)C1 366997030 KVTKYHLUESIBQJ-CYBMUJFWSA-N 297.402 3.590 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 610540936 RWNODPBOSJHRDQ-DZGCQCFKSA-N 288.391 3.532 30 20 CHED C[C@H](NC(=O)[C@@H](C)c1ccsc1)c1cccc(C#N)c1 610360062 QTJPCYANVHAOMT-RYUDHWBXSA-N 284.384 3.601 30 20 CHED CN(C(=O)NCC(C)(C)C#N)[C@@H]1CCC[C@@H]1c1ccccc1 458636088 BLJUJUDKFCJTBK-HZPDHXFCSA-N 299.418 3.514 30 20 CHED C=C(C)CCNC(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 454892474 UMDVUVWDSXAPGR-KBPBESRZSA-N 290.382 3.727 30 20 CHED C=CCSc1ccccc1C(=O)NC[C@@H]1C[C@H]1C(C)C 456295742 ISOFAXIJVIJREI-ZFWWWQNUSA-N 289.444 3.987 30 20 CHED Cc1ccc(OCCCN[C@H](C)c2cccc(C#N)c2)cc1 540595899 HRADKGDRBBCRJK-MRXNPFEDSA-N 294.398 3.986 30 20 CHED C=CC(C)(C)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 450077160 VUJQDVOOEPSDTQ-QWRGUYRKSA-N 277.330 3.684 30 20 CHED CC[C@H]1CCC[C@@H]1CNC(=O)Nc1cccc(CC#N)c1 455902311 GNEBMZZFDHSEFJ-LSDHHAIUSA-N 285.391 3.700 30 20 CHED C=CC[C@@H](C(=O)OCc1csc(C)n1)c1ccccc1 274963612 APNLADOZSPQGCE-OAHLLOKOSA-N 287.384 3.855 30 20 CHED C=CCCCCCN(C)C(=O)CCc1ccc(O)cc1 274205644 MBIMXHIGYWQFDI-UHFFFAOYSA-N 275.392 3.530 30 20 CHED C=CCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCC1 450258844 UBMMXFWXRMUOQO-UHFFFAOYSA-N 287.325 3.844 30 20 CHED CC#CCCNC(=O)C1(c2ccc(F)cc2)CCCCC1 543605087 INRWZHMIZBCXNH-UHFFFAOYSA-N 287.378 3.557 30 20 CHED N#Cc1cc(Cl)ccc1NC[C@@H]1CCOC2(CCC2)C1 450721444 XDNZWNNJSHERQI-GFCCVEGCSA-N 290.794 3.973 30 20 CHED C=C1CCN(C(=O)[C@H](CC)O[C@@H]2CCC[C@H](C)C2)CC1 361822494 JCQIARORWJEEHI-XHSDSOJGSA-N 279.424 3.539 30 20 CHED N#CC1(COc2cc(Br)ccc2Cl)CC1 540859594 YBSAMLCFSQBPRN-UHFFFAOYSA-N 286.556 3.785 30 20 CHED C=CCOCCN1CCC[C@H]1Cc1ccccc1Cl 549367127 ZGCPFFXGHFAUHB-HNNXBMFYSA-N 279.811 3.550 30 20 CHED C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C[C@H]1C 544545365 ITXMVGLFAUPXJA-XJKCOSOUSA-N 285.391 3.699 30 20 CHED C#C[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 274823865 QOVULXFZRZLENV-VHSXEESVSA-N 299.201 3.718 30 20 CHED Cc1ccc(OCCCN[C@H](C)c2ccc(C#N)cc2)cc1 540595641 DKSGKONDSOGGHZ-MRXNPFEDSA-N 294.398 3.986 30 20 CHED C=CCC1(C(=O)N[C@@H](CC)[C@@H]2CCCO2)CCCCC1 450245652 PHAUMLCEPRLKJR-GJZGRUSLSA-N 279.424 3.587 30 20 CHED C=CCCOc1ccccc1-c1cnn(C[C@H]2CCOC2)c1 629736872 XXXINFZBHMVUKR-OAHLLOKOSA-N 298.386 3.542 30 20 CHED CC[C@@](C)(C#N)NC(=O)CCCCCc1ccc(F)cc1 548615908 BBINVPGMBGBESC-KRWDZBQOSA-N 290.382 3.737 30 20 CHED Cc1cccc([C@H]2CCN(C(=O)C3(C#N)CCCCC3)C2)c1 273125689 SDBNXPJYXHBQJN-KRWDZBQOSA-N 296.414 3.785 30 20 CHED C=CCCC(C)(C)NC(=O)CCCC(=O)C(C)(C)C 620855740 IDEUBUODIRSMIJ-UHFFFAOYSA-N 267.413 3.633 30 20 CHED Cc1cccc2c1CC[C@@H]2NCCc1cccc(C#N)c1 467439516 VVOPANMIYXFAAS-IBGZPJMESA-N 276.383 3.686 30 20 CHED C=C(C)Cn1c(N2CCC[C@H]2C(C)C)nnc1C(C)(C)C 460367069 CHZGLOKQSLKBQD-AWEZNQCLSA-N 290.455 3.777 30 20 CHED CC[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])c(C#N)c1 463484423 REJUJMIBEYPMRS-SECBINFHSA-N 287.241 3.609 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)C1=C(C)OCCC1 280001870 MHXDZMNKERZQPI-UHFFFAOYSA-N 285.387 3.676 30 20 CHED C=CC[C@H](CC)N[C@@H](CCOC)Cc1cccc(F)c1 467417300 KIDNTCSGCOKHJN-IRXDYDNUSA-N 279.399 3.718 30 20 CHED C=C[C@@H](C)NC(=O)N[C@@H](CCC)CCc1ccccc1 464755058 MHVDZVKJBWYUCT-ZBFHGGJFSA-N 274.408 3.662 30 20 CHED C=CCCN(C)C(=O)NCC[C@H](C)CC(C)(C)C 466806113 YWQZFVBVLYXKBA-ZDUSSCGKSA-N 254.418 3.666 30 20 CHED C=C(C)CCc1noc([C@@H]2CCO[C@@H](CCC)C2)n1 285278260 ZIJYCIJXVGELFQ-OLZOCXBDSA-N 264.369 3.641 30 20 CHED COc1ccc(C)cc1[C@@H](C)NCC1CCC(C#N)CC1 282133225 BMVPFYHLODLEHY-QQFBHYJXSA-N 286.419 3.984 30 20 CHED C=CCC(C)(C)c1noc(-c2ccccc2-n2cccn2)n1 551144264 QFHVCRXVQYJUOI-UHFFFAOYSA-N 294.358 3.776 30 20 CHED CC[C@H](C)[C@H](NC(=O)[C@@H](C)C#N)c1ccc(Cl)cc1 469717866 PEDCIKXEMDWZBO-MJVIPROJSA-N 278.783 3.703 30 20 CHED C=CCOc1ccc(CNC(=O)c2ccc(C)c(F)c2)cc1 552243116 PDSTXFFEXQMCHC-UHFFFAOYSA-N 299.345 3.629 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1c(C)cc(C)cc1O 285036872 HXLXSPOBXUDKNE-MPGHIAIKSA-N 289.419 3.641 30 20 CHED Cc1cc(C#N)cnc1C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 555237099 NOPZMOCOLFNGNC-CABCVRRESA-N 299.418 3.596 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 472148531 AYSIWTYZOWLYBV-KBPBESRZSA-N 283.371 3.688 30 20 CHED C=CCC1(C(=O)NCC2(c3ccccc3)CCC2)CCC1 478581042 FCZRJMURHFSGJH-UHFFFAOYSA-N 283.415 3.971 30 20 CHED C[C@@H]1C/C(=C\c2ncc(Cl)n2C)C(=O)c2ccccc21 296020912 UMLZMYVWSBNTDF-MXBGMFSPSA-N 286.762 3.847 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(C2CC2)nn1 806352404 OEYRWDCKLNLQIR-UHFFFAOYSA-N 288.395 3.612 30 20 CHED C=CCOc1ccc(C(=O)NCC2(CCC)CC2)cc1 470227791 IJOJJEFBGUADPN-UHFFFAOYSA-N 273.376 3.562 30 20 CHED C[C@H]1CC(=NOCc2cccnc2)c2ccccc21 807979164 NEBAVZZNUKGOFO-LBPRGKRZSA-N 252.317 3.510 30 20 CHED Cc1ccncc1CCCNCc1ccc(C#N)c(Cl)c1 809663716 WZSIUMYUHXAPGN-UHFFFAOYSA-N 299.805 3.638 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc2occ(C)c2c1 806435623 IIPNKAXOHUCJEB-GFCCVEGCSA-N 270.332 3.665 30 20 CHED Cc1cc(OC(=O)C2CCSCC2)c(C)c(C)c1C#N 809033793 HDBWKYRNLXZOFU-UHFFFAOYSA-N 289.400 3.532 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1cccc(Oc2ccccc2)c1 470156239 LPAJODJBQMMFTM-QGZVFWFLSA-N 294.354 3.757 30 20 CHED CC[C@H](C)[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 397576754 DPRIRTGZVLZGBW-LZLYRXPVSA-N 298.430 3.969 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@@H](c2cccnc2)C1)C(C)(C)C 809782191 JXHIOTILTFDYAU-OIISXLGYSA-N 270.420 3.745 30 20 CHED N#CC[C@@H]1CCCN(C(=O)c2ccc(F)c3ccccc23)C1 397633199 VHKQSIUBCSXVGF-ZDUSSCGKSA-N 296.345 3.745 30 20 CHED C=CCN(CCCCCF)Cc1ccccc1F 560154915 QNNAQCYPLAXJFY-UHFFFAOYSA-N 253.336 3.954 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)C[C@@H](CC#N)c1ccccc1 476185852 BVFUEUGBQABEBV-DJIMGWMZSA-N 284.403 3.721 30 20 CHED N#CC1(CCOc2ccc3ncncc3c2)CCCCC1 563611155 ISKCLAFCRILQJL-UHFFFAOYSA-N 281.359 3.873 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 562594364 BWBICHPJVXGYOL-DOTOQJQBSA-N 295.386 3.519 30 20 CHED CCCCCCCCOC(=O)C1CCN(C2CC2)CC1 801874874 LDGVVTODUGRGJO-UHFFFAOYSA-N 281.440 3.765 30 20 CHED Cc1cc(C)c(CC(=O)N(C2CC2)C2(C#N)CCC2)c(C)c1 569993349 MRCDZJLYJIADOW-UHFFFAOYSA-N 296.414 3.592 30 20 CHED N#Cc1csc(C(=O)OCCc2ccccc2Cl)c1 805487625 UTJCWDUXGYMQRC-UHFFFAOYSA-N 291.759 3.673 30 20 CHED CC[C@](C)(C#N)C(=O)N1CCC(CCC(C)C)CC1 560592674 BDIJWWUKUMEFND-MRXNPFEDSA-N 264.413 3.601 30 20 CHED C#Cc1cccc(NC(=S)NCC(=C)c2ccccc2)c1 806595307 UIBPLOVXTREKBE-UHFFFAOYSA-N 292.407 3.668 30 20 CHED C=CCC(C)(C)c1noc(-c2occc2Br)n1 560021907 LNRFTFOZZKXINP-UHFFFAOYSA-N 297.152 3.946 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cccc2c(O)nccc12 640223869 NDRZVLJNMQVEPF-UHFFFAOYSA-N 299.374 3.807 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NCc3cccs3)c2c1 487927693 GAUFUUSADJYDNL-UHFFFAOYSA-N 279.368 3.510 30 20 CHED Cc1ccc(F)cc1C=NNc1ccc(F)c(F)c1F 814946871 ZRUANNCNKUJEAN-UHFFFAOYSA-N 282.240 3.997 30 20 CHED CO[C@@](C)(C=NNc1c(C)cc(C)cc1C)C1CC1 814860224 NVHVOQYNHDHXFU-INIZCTEOSA-N 260.381 3.825 30 20 CHED Fc1cc(F)c(NN=C2CC[C@H]2C2CC2)cc1F 814849769 JZHMEUCJSUERTI-QMMMGPOBSA-N 254.255 3.692 30 20 CHED C=CCC(C)(C)c1nc(-c2nnc(-c3ccccc3)o2)no1 578951470 OATVYINJOQEFSN-UHFFFAOYSA-N 296.330 3.640 30 20 CHED N#Cc1cc(N[C@@H](CO)CC2CCC2)ccc1C(F)(F)F 480841095 ASZYGXPREFTCGV-CYBMUJFWSA-N 298.308 3.540 30 20 CHED C=CCOc1ccccc1C(=O)N(C)[C@H](C)CCCC 572776538 NKIFIXYNGKLWIO-CQSZACIVSA-N 275.392 3.902 30 20 CHED CC(C)(C)CCCCC(=O)NCCc1cccc(C#N)c1 574780350 OXANRQQICALINB-UHFFFAOYSA-N 286.419 3.823 30 20 CHED Cc1ccc([C@@H](C)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)o1 819736981 RPBXZOSCGNQWIP-ZIAGYGMSSA-N 296.370 3.783 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](c1ccccc1)C1CC1 488374800 PSGMHZSKYONPTE-KRWDZBQOSA-N 280.371 3.555 30 20 CHED N#CCC[C@@H](C#N)CN[C@H](CC(F)(F)F)c1ccccc1 573198976 FAHVQSPWAJJIJX-GXTWGEPZSA-N 295.308 3.713 30 20 CHED CCCc1[nH]ccc1C(=O)Nc1ccccc1O[C@@H](C)C#N 817559769 YHMURJUGOIQRBY-LBPRGKRZSA-N 297.358 3.510 30 20 CHED C#Cc1ccc(C(=O)Oc2cc(Cl)cc(Cl)c2)nc1 728804417 XVULLOWDXBKXBE-UHFFFAOYSA-N 292.121 3.589 30 20 CHED C=CCCCCOC(=O)c1ccc(NC(=O)C2CC2)cc1 811012380 JDLKKTPIFNQTAA-UHFFFAOYSA-N 287.359 3.548 30 20 CHED C(=NOCCC1CC1)c1ccccc1OCc1cccnc1 814246069 BZRCLFPJUQUTHW-UHFFFAOYSA-N 296.370 3.811 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCOc2ccc(F)cc2C1 489210947 CKFIJWZQRJDGBQ-ZDUSSCGKSA-N 296.345 3.653 30 20 CHED CC#CCNC(=O)Nc1cc(Cl)ccc1SCC 483938242 IAOKNFHSNFCIRF-UHFFFAOYSA-N 282.796 3.597 30 20 CHED C#CCCCNC(=O)Nc1cc(SC)ccc1Cl 824478681 NXSNRVRRVCREEE-UHFFFAOYSA-N 282.796 3.597 30 20 CHED CC(C)=CCC/C(C)=C\C=NNc1ccc(C)nn1 729935907 WJFABCZSCQAPDS-BQVBJWNASA-N 258.369 3.875 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)o1 727652356 YQBRFRZHXUDQSG-UHFFFAOYSA-N 293.710 3.986 30 20 CHED COc1ccc([C@@H](C)CCNc2cc(C)nc(C#N)c2)cc1 574227488 URPVQCGUBWVTAL-ZDUSSCGKSA-N 295.386 3.876 30 20 CHED CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCCC#N 825720303 DORLZFAOJWJEMQ-CYBMUJFWSA-N 270.298 3.530 30 20 CHED Cc1csc(NC(=O)/C=C/c2ccccc2)c1C#N 493464124 LEOAMHSAWANWSH-BQYQJAHWSA-N 268.341 3.580 30 20 CHED C=CCN(C(=O)NCCc1c(C)[nH]c2ccccc12)C(C)C 727034646 QXPJSYSBXDQHKW-UHFFFAOYSA-N 299.418 3.625 30 20 CHED N#Cc1ccsc1C(=O)OCCCCC1(C#N)CCC1 908964277 IIMUJYJJLQMTEZ-UHFFFAOYSA-N 288.372 3.641 30 20 CHED CCC[C@H](C)[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1Cl 582551084 LTWFLKCJLCPOOI-HWWQOWPSSA-N 294.826 3.659 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(F)cc(C(C)=O)cc1F 904063698 MSPVGGOQLBLKGG-JTQLQIEISA-N 281.302 3.708 30 20 CHED CCc1c(C(C)=NNc2cccnn2)oc2ccccc12 735977197 VEPWTWZYRGPSGP-UHFFFAOYSA-N 280.331 3.621 30 20 CHED C=C[C@H]1CCCCN1c1ncnc2ccc(SC)cc12 583521651 UXFCQBDMFPHSQL-LBPRGKRZSA-N 285.416 3.897 30 20 CHED COc1cccc(C=NNc2cccc(C(F)(F)F)n2)c1 739421942 QNQYBRAMRVYESV-UHFFFAOYSA-N 295.264 3.555 30 20 CHED C=CCCCCN1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 829531773 SAMZVJRLCQJBEL-VXGBXAGGSA-N 262.224 3.858 30 20 CHED CC(C)Oc1ccc(N[C@@H]2CSC[C@@H]2C)cc1C#N 824125935 QLUJEBNTLBXEMS-SMDDNHRTSA-N 276.405 3.509 30 20 CHED C=CCC(CC=C)C(=O)OCC[C@@H]1CC1(Cl)Cl 820433681 BHBKOSRNDZBXJC-LLVKDONJSA-N 277.191 3.882 30 20 CHED COc1ccc(/C=C/C(=O)c2sccc2C)cc1OC 733749290 VGIYEUCWOWWKMB-GQCTYLIASA-N 288.368 3.970 30 20 CHED N#CCCCCCC(=O)NCc1ccc(C(F)(F)F)cc1 588148277 AABLROOQHZHMQS-UHFFFAOYSA-N 298.308 3.796 30 20 CHED CCc1c(C)sc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]23)c1C#N 581653046 GIAROKPNASCTAL-GVXVVHGQSA-N 288.416 3.865 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(-c2nccs2)c1 736961605 GAZMNQKMPBFSGE-UHFFFAOYSA-N 293.779 3.684 30 20 CHED Cc1ccc(CC(=O)Nc2ccccc2CC#N)c(Cl)c1 588986988 SUEMRCVMSNBVQB-UHFFFAOYSA-N 298.773 3.896 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 837928395 VDKILCXZWSWKLA-GJZGRUSLSA-N 293.357 3.993 30 20 CHED C#CCN(CC)C(=S)Nc1ccc(CCCC)cc1 490574263 MKUXONXDEFQMSE-UHFFFAOYSA-N 274.433 3.681 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1C[C@H](C)CC[C@H]1C 581362595 XHQWXOACYIRTDG-HUUCEWRRSA-N 296.418 3.756 30 20 CHED Cc1ccc(F)c(C=NNc2cnnc3ccccc23)c1 734980312 YYLYXCWGPZHDFG-UHFFFAOYSA-N 280.306 3.523 30 20 CHED Cc1ccccc1C1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CC1 839056251 ZUFDNCINBUYIKE-CABCVRRESA-N 283.371 3.652 30 20 CHED C=CCCCC[C@@H](C)NC1(CC=C)CCOCC1 668551525 PJRFSUPTVMEAAF-OAHLLOKOSA-N 251.414 3.836 30 20 CHED CC[C@H](C)NN=Cc1cccc(Oc2ccccn2)c1 905462930 NSTRQRHAYMLCFN-ZDUSSCGKSA-N 269.348 3.596 30 20 CHED CC1(C)CCC[C@@H](C(=O)Nc2ccccc2CC#N)C1 583287002 OCSAYVRTBHTZOQ-CQSZACIVSA-N 270.376 3.908 30 20 CHED CCOC(=O)C(C)(C)ON=C(C)c1cc2ccccc2o1 835004354 RHVHIRIVDOCVGT-UHFFFAOYSA-N 289.331 3.515 30 20 CHED C=C(Cl)CNC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 736399095 QZWMTWUDDDZOAM-UHFFFAOYSA-N 294.826 3.878 30 20 CHED C=CC(C)(C)COC(=O)[C@H](CC)CC(F)(F)F 835722878 ZBVMMHULZSGRQY-SECBINFHSA-N 252.276 3.720 30 20 CHED C#CCC[C@H](C)OC(=O)/C=C/c1cnc(C(C)(C)C)s1 839042309 ZZKCNYMKBZDOTD-VMPCVLLUSA-N 291.416 3.799 30 20 CHED N#CC1(CN[C@@H]2CCCc3ccc(Cl)cc32)CC1 903106053 LUAOZVXJYRQCLO-CQSZACIVSA-N 260.768 3.611 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C#CC2CC2)cc1 837432092 XOLCVYIGWXQSLM-KXBFYZLASA-N 281.399 3.708 30 20 CHED N#CC1(CCCCOC(=O)/C=C\c2cccc(O)c2)CCC1 909060058 XZRRNWKAQBRRQU-FPLPWBNLSA-N 299.370 3.813 30 20 CHED C=CC(C)(C)C(=O)Oc1ccc(OC)cc1Br 839324338 PYHZQOAIGVNRFC-UHFFFAOYSA-N 299.164 3.575 30 20 CHED C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1ccc(C#N)c(F)c1 581102284 XJENBNMVCCDKNM-NEPJUHHUSA-N 289.354 3.740 30 20 CHED Clc1c(C=NNc2cnccn2)sc2ccccc12 912962347 OUGLPBBITXEXEZ-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CCON=C1CCCC[C@H]1c1ccc(OC)c(F)c1 732712651 MZYCLPKDOZQLFV-LBPRGKRZSA-N 265.328 3.884 30 20 CHED N#CCC[C@@H](C#N)CNc1ccc(OC2CCCC2)cc1 732916552 OXHWWFYAKWKJFS-AWEZNQCLSA-N 283.375 3.863 30 20 CHED C=CCCSCCNC(=O)N(C)[C@H]1CCC(C)(C)C1 596715691 KSGJMVSTHJMUND-ZDUSSCGKSA-N 284.469 3.516 30 20 CHED C=CCC1(C(=O)OCCCn2ccnc2C)CCCCC1 838154360 UWVQEWMEZJKHMI-UHFFFAOYSA-N 290.407 3.651 30 20 CHED C[C@H]1CCCC[C@@H]1NC(=S)NN=C1CCC[C@@H](C)C1 916277802 SQGCDSHSCNLHCY-DYEKYZERSA-N 281.469 3.595 30 20 CHED C[C@@H](NC(=O)C#CC1CC1)c1cc(Cl)ccc1Cl 837334305 IPXTXWPNNASYCI-SECBINFHSA-N 282.170 3.584 30 20 CHED C=CC1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 599687703 QBFUBXOQIQWENG-CYBMUJFWSA-N 251.414 3.873 30 20 CHED C=C(C)COC(=O)Cc1cc(Cl)ccc1Cl 748391558 MYHXKTPVTSRGLE-UHFFFAOYSA-N 259.132 3.655 30 20 CHED CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 593981813 UIPYAQMOPBJVOZ-HZPDHXFCSA-N 298.430 3.776 30 20 CHED N#CCN(C(=O)C[C@H]1C=CCCC1)c1ccc(Cl)cc1 592653260 RSJSWDOSATUDTO-ZDUSSCGKSA-N 288.778 3.943 30 20 CHED CCC[C@@H](C(=O)N(CC)CCC#N)c1cccc(Cl)c1 599138750 KGGQJVYQLFBCNK-OAHLLOKOSA-N 292.810 3.986 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](CC1CCC1)c1ccccc1 593587902 GHUJQUZMPAGHSH-ZBFHGGJFSA-N 270.376 3.584 30 20 CHED N#C[C@H](C(=O)C[C@@H]1CC[C@H]2C[C@H]12)c1nc(C2CC2)cs1 842941522 ARSPPXIYEVAECI-ZDEQEGDKSA-N 286.400 3.633 30 20 CHED CCCOc1ccc(CN[C@H](CC)CC#N)c(C)c1 597085707 HSFJARZXOCBAKA-OAHLLOKOSA-N 260.381 3.566 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H](C)CCCCC 913478842 AZARGGLSAAYCGO-CQSZACIVSA-N 275.392 3.950 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)N[C@@H](C)c1cccc(C#N)c1 590673079 ODQAYWQYYIYRII-CMPLNLGQSA-N 298.308 3.714 30 20 CHED CC(C)Cn1nccc1/C=C/C(=O)c1ccc(F)c(F)c1 843269832 UMAPIFREQWJGMP-GQCTYLIASA-N 290.313 3.713 30 20 CHED CC(C)[C@@H](C)N(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CC1 593960567 GSDHYVCNKJHSNT-HUUCEWRRSA-N 298.430 3.772 30 20 CHED CCc1ccccc1NN=Cc1ccc(C#N)s1 748780556 KJOSUPYZVCDXOO-UHFFFAOYSA-N 255.346 3.628 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)[C@@H](CC)c1ccccc1 593427519 MXRTYLUWIZKYSK-ZFWWWQNUSA-N 258.365 3.536 30 20 CHED CCC(=NNc1cccc(Cl)c1)[C@@H]1CCOC1 741838345 UVYRGSZSPTWMEG-SNVBAGLBSA-N 252.745 3.554 30 20 CHED CCN(CC)c1ccc(/C=N/[C@@H]2CCCSC2)c(O)c1 749008269 UBAQXSZHPPUVJT-SWEABUAFSA-N 292.448 3.553 30 20 CHED Cc1cc(C)nc(NN=Cc2c[nH]c3cc(Cl)ccc23)n1 918707868 BJDVMMPVRQNFBZ-UHFFFAOYSA-N 299.765 3.674 30 20 CHED C=C(C)CCOC(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1 744299956 MAIBHHQLVKSPEO-ZNMIVQPWSA-N 268.397 3.870 30 20 CHED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C1CCCC1)C1CC1 593959621 YAVNYIATYUZVAT-CQSZACIVSA-N 296.414 3.670 30 20 CHED CC(=NNc1nccc2sccc12)c1cnc(C)nc1C 741461907 SWOJERAKIYAUSO-UHFFFAOYSA-N 297.387 3.539 30 20 CHED CCCn1ccc2cc(NC[C@H](O)CC(C)(C)C#N)ccc21 598726622 UWTAPNVSFAWXQT-MRXNPFEDSA-N 299.418 3.764 30 20 CHED CC[C@@H](C#N)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C 593510927 ZBDYUDHPABKKIM-ZFWWWQNUSA-N 272.392 3.748 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ncccc2Cl)o1 917546482 NVMIVWGNMAKHAF-ONGXEEELSA-N 275.739 3.897 30 20 CHED CCC[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597917432 BSYBPPOGUOPWDP-DOTOQJQBSA-N 284.403 3.723 30 20 CHED CC[C@H](C(=O)N(C)[C@@H](C#N)CC)C1CCC(C)CC1 594086253 QWULWDAVILKHJC-CVSAEHQPSA-N 264.413 3.599 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)SCCC=C(C)C 596423503 YTBNKDQDQNDUKQ-AWEZNQCLSA-N 267.438 3.665 30 20 CHED COc1ccc2c(NCC(C)(C)CC#N)ccnc2c1 840333750 MHRZEKGRMKRGNP-UHFFFAOYSA-N 269.348 3.595 30 20 CHED Cc1cccc([C@H](C)C/N=C/c2ccccc2O)c1 741165510 NDLCEZNTKPUVDN-CRRKTRLDSA-N 253.345 3.923 30 20 CHED CC[C@H](NCc1cccc2c1OCC2)c1cccc(C#N)c1 927089388 BSONIGIIKHRNGO-SFHVURJKSA-N 292.382 3.734 30 20 CHED Fc1ccccc1NN=C1CCc2c(F)ccc(F)c21 749612502 NVWYQZLKVFGMPX-UHFFFAOYSA-N 276.261 3.866 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1ccnn1CC1CC1 849243727 NMSMNCSDGLOAIP-SREVYHEPSA-N 296.370 3.506 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2cccc(F)c2)o1 920383986 LYIKGCDAWJJOEE-IINYFYTJSA-N 258.296 3.988 30 20 CHED CCCCC[C@@H](NC(=O)[C@@H](C#N)CC)C(C)(C)C 845529039 QVYONJOAZFPKRM-CHWSQXEVSA-N 252.402 3.647 30 20 CHED C#Cc1cccc(NC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)c1 743083875 DRMZHOYWTSMTCB-HKUYNNGSSA-N 290.366 3.520 30 20 CHED Cc1ccc(N(Cc2ccco2)C(=O)[C@H](C)C#N)cc1C 746244385 KYAZTCAOOTYUQM-CQSZACIVSA-N 282.343 3.589 30 20 CHED Cc1ccc(-c2cccc(C=NNc3cccnn3)c2)cc1 757583284 BEZFQQJAOXHRSZ-UHFFFAOYSA-N 288.354 3.898 30 20 CHED CCn1cc(C(=O)/C=C/c2ccccc2C(F)(F)F)cn1 920991958 UMGGBHGKQSZKCH-BQYQJAHWSA-N 294.276 3.818 30 20 CHED CC(=O)c1cc(C(=O)O[C@H](C)CC(C)(C)C#N)ccc1C 851206797 PMZAIDYVWISXJI-GFCCVEGCSA-N 287.359 3.683 30 20 CHED CCCCCCCCCC(=O)N1CCOCC1(C)C 920815554 AYUGLMCOVWISAN-UHFFFAOYSA-N 269.429 3.765 30 20 CHED C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1cccc(C#N)c1 921802627 ANUIHALDIQLDJA-KGLIPLIRSA-N 292.382 3.732 30 20 CHED COc1ccc(C=NN[C@@H](C)c2ccccc2)cc1F 920382152 DKOHATCIMKHKPQ-LBPRGKRZSA-N 272.323 3.519 30 20 CHED Cc1ccc(/C=C2\COc3c(F)cccc3C2=O)s1 921265965 GYVWLZXVMTVQSP-JXMROGBWSA-N 274.316 3.854 30 20 CHED CCCC[C@](C)(F)C(=O)OCC#Cc1cccc(OC)c1 850856905 IMTNSILSEQEVNM-KRWDZBQOSA-N 292.350 3.508 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](c1cccs1)C1CC1 929702961 MHFUFCXWLOJLEX-NHYWBVRUSA-N 263.406 3.918 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@](C)(F)CCCC)C1 855436741 JXYKRYKMVIJUIU-ZFWWWQNUSA-N 255.377 3.720 30 20 CHED C=C(Cl)CS[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 853783971 SNKQLZLHXGMWNJ-LLVKDONJSA-N 297.807 3.702 30 20 CHED C#CCOCCC(=O)N(CCC)c1cccc2ccccc12 756615797 DNGWYLPXOUBTCW-UHFFFAOYSA-N 295.382 3.623 30 20 CHED N#Cc1cc(COC(=O)c2csc3ccccc23)ccn1 754721944 MAEDNHUBJRGCJQ-UHFFFAOYSA-N 294.335 3.525 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2cccc3[nH]ccc23)c1 755482623 YZFWWQIMZCZUON-UHFFFAOYSA-N 280.287 3.522 30 20 CHED C=CCN(C(=O)CCCOc1ccc(F)cc1F)C(C)C 921279416 VYSHPUWHDRRMTL-UHFFFAOYSA-N 297.345 3.547 30 20 CHED O=C(/C=C/c1ccc2ncccc2c1)c1cc(F)ccc1O 757468304 QCDOTNNDTLZHQD-QPJJXVBHSA-N 293.297 3.976 30 20 CHED O=C(c1ccoc1)N1CCCSC1=Nc1ccccc1 755104346 QRIYNFXZHNPYSH-UHFFFAOYSA-N 286.356 3.546 30 20 CHED C=CCCCCCN(C)C(=O)c1ccc2c(C=O)c[nH]c2c1 859519859 SJDUJOHZLVHDAC-UHFFFAOYSA-N 298.386 3.799 30 20 CHED C=C[C@@H](OC(=O)C[C@H](C)SC)c1ccccc1 851452149 PDTARNVRRVJHSZ-WCQYABFASA-N 250.363 3.599 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 935464159 KTWVVZLLXAXETC-ZIAGYGMSSA-N 274.408 3.532 30 20 CHED CCc1ccc(C(=O)/C=C/c2cccc(OCC#N)c2)o1 752238944 ZMPGACIEDOSXEF-SOFGYWHQSA-N 281.311 3.640 30 20 CHED O=C(/C=C/c1cccc2c1OCO2)c1cc(F)ccc1F 757476741 ZPFGTFDHUNUFDM-QPJJXVBHSA-N 288.249 3.590 30 20 CHED CC(C)(C)C1=CCN(C(=O)Nc2sccc2C#N)CC1 931842439 NWQUTRDYVCCTGI-UHFFFAOYSA-N 289.404 3.830 30 20 CHED CCCCCCCCNC(=O)c1ncc(C#N)cc1Cl 755215422 HIORXYHWXSHDBH-UHFFFAOYSA-N 293.798 3.697 30 20 CHED Cc1ccccc1[C@H](C)OC(=O)c1ccc(C#N)s1 750693317 IPZOKDJJXQOHHM-NSHDSACASA-N 271.341 3.846 30 20 CHED Cc1cc(OC(=O)[C@@H](C)Cc2ccccc2F)ccc1C#N 765093668 LQLUPXUBNNEOAJ-ZDUSSCGKSA-N 297.329 3.790 30 20 CHED C#CCN(C(=O)c1ccc2cccnc2c1)C1CCCCC1 865039220 ZTDWBIIJPZGVEU-UHFFFAOYSA-N 292.382 3.643 30 20 CHED FC(F)(F)c1ccc(NN=CC[C@@H]2CCOC2)cc1 765584271 MGTIEHJBWLZWDA-SNVBAGLBSA-N 272.270 3.530 30 20 CHED C=CCCOCc1nc(Cc2cccc(F)c2Cl)no1 762133125 SYTZZGLHHXHRKV-UHFFFAOYSA-N 296.729 3.546 30 20 CHED CC(C)(C#N)CCCCOC(=O)Cc1ccc(F)cc1 768371067 CUSBEBFHBCPOLY-UHFFFAOYSA-N 277.339 3.631 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(F)cccc1N1CCCC1 931697147 IEVJXOLNZCUJTM-ZDUSSCGKSA-N 290.382 3.967 30 20 CHED CC(C)c1ccc(C=NNC(=S)Nc2ccccn2)cc1 767805398 DDZMCBQLKDSRRV-UHFFFAOYSA-N 298.415 3.526 30 20 CHED C=CC[C@@H](N[C@H]1CCc2ccccc21)c1ccncc1 766021492 UFPHOKPSSFVWBX-MSOLQXFVSA-N 264.372 3.976 30 20 CHED CCC[C@@H](C=NNc1ccnc(N(C)C)n1)c1ccccc1 769584295 GXSIPNVVJNIOIV-HNNXBMFYSA-N 297.406 3.524 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1C#N 766491827 RMLYZHACSDDGJN-ZZXKWVIFSA-N 281.286 3.608 30 20 CHED C#CCCc1noc([C@@H](C)CCCc2ccccc2)n1 762014541 ORSYFBFPELENQA-AWEZNQCLSA-N 268.360 3.762 30 20 CHED COc1ccsc1/C=C/C(=O)c1cccc(F)c1 764432422 AQNARTSJZQHBFK-AATRIKPKSA-N 262.305 3.792 30 20 CHED COc1cc(F)cc(NN=C(C)c2occc2C)c1 767792626 MSDSVACQEYNELM-UHFFFAOYSA-N 262.284 3.572 30 20 CHED CC(C)(CC#N)CSc1nc2ncccc2s1 865373824 CWWMUIPDTVAWAX-UHFFFAOYSA-N 263.391 3.723 30 20 CHED CC(C)(CC#N)CNc1nc(Cl)nc2ccccc12 865869920 LUVADWUXMHNBBY-UHFFFAOYSA-N 274.755 3.635 30 20 CHED Cc1cc(C)c(/C=C\CN2CCC(C#N)CC2)cc1C 876653923 WDZREPXWBFNBAS-PLNGDYQASA-N 268.404 3.861 30 20 CHED C#CCCc1noc(CSc2ccc(C)cc2C)n1 762011286 XJISRZCMEHUAFI-UHFFFAOYSA-N 272.373 3.545 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@H]1C[C@H]1C1CC1 768038608 NDZQXKZYOYSTKK-GJZGRUSLSA-N 283.371 3.577 30 20 CHED CC/C(C)=C(\C)C(=O)Nc1sc(C)c(C)c1C#N 779719835 XMZKRNRWZOMFDV-CMDGGOBGSA-N 262.378 3.922 30 20 CHED CC(C)(C)OCCCOC(=O)c1ccc(C#N)c(Cl)c1 778534182 DGPWTRLJXATHKU-UHFFFAOYSA-N 295.766 3.574 30 20 CHED COC[C@@H](C)NN=C(C)c1cc2c(ccc3ccccc32)o1 777902331 JRIGJIHGYOMTSV-GFCCVEGCSA-N 296.370 3.935 30 20 CHED Cc1cc(C)c(C=NNc2ccccc2OC(F)(F)F)[nH]1 777453164 MJHKBLQEJSBGFB-UHFFFAOYSA-N 297.280 3.976 30 20 CHED C=C(C)[C@@H](CC(=O)Oc1cccc(C)c1Cl)OCC 774655446 VWRBKSGDLMKHNG-CYBMUJFWSA-N 282.767 3.925 30 20 CHED C#CCCCCCC(=O)N(Cc1cccs1)C1CC1 779798428 CUWGHWJPGDLUCE-UHFFFAOYSA-N 275.417 3.823 30 20 CHED CCOCCON=C(C)c1ccc(Cl)cc1Cl 774423737 XYVINGFMAKZAHO-UHFFFAOYSA-N 276.163 3.771 30 20 CHED C=CCN(C(=O)/C(C)=C/c1ccccc1Cl)C1CC1 772896456 VOKKCOFYSSDLRD-VAWYXSNFSA-N 275.779 3.920 30 20 CHED CC(=NN=C(CC1CCC1)c1ccccc1)c1cnccn1 776185543 CNCFVHQVENJZPF-UHFFFAOYSA-N 292.386 3.880 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NOCCC(F)(F)F)o1 777460637 QLJPBWGRSCZQEC-PSASIEDQSA-N 261.243 3.706 30 20 CHED O=C(CC#Cc1ccccc1)Nc1ccc(Cl)cc1F 1116266565 GEBJORHFHPMKEP-UHFFFAOYSA-N 287.721 3.859 30 20 CHED C#CCCCCNC(=O)c1ccccc1COC(C)(C)C 773428525 CONSQSMANXDSDK-UHFFFAOYSA-N 287.403 3.535 30 20 CHED CSCCCCC(=O)O[C@H](C#N)C1CCCCC1 776388208 XUKQCRKHOIEXCK-CYBMUJFWSA-N 269.410 3.535 30 20 CHED C=C1CCC(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)CC1 889298247 RUEKRALFPAHVOW-MAUKXSAKSA-N 299.414 3.721 30 20 CHED C=CC(C)(C)CC(=O)Nc1scnc1C(C)C 880225357 LTTWCMIAIFMYDO-UHFFFAOYSA-N 252.383 3.807 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1cc(Cl)ccc1OCCC 770228895 PGNPUAAFYVANHH-LLVKDONJSA-N 294.782 3.614 30 20 CHED C=C(CC)COC(=O)C1(c2ccc(OC)cc2)CCC1 773501398 QOSINRKMMKDSEC-UHFFFAOYSA-N 274.360 3.626 30 20 CHED CCCCc1ccc(C(=O)/C=C\c2ccn(C)n2)cc1 773153521 HLLNKAKEGDYFCX-KHPPLWFESA-N 268.360 3.659 30 20 CHED C=CC[C@@H]1N(C(=O)/C=C\c2nccs2)CCCC1(C)C 1123826863 CZAUNEAHKZRJMR-WSROAFLRSA-N 290.432 3.750 30 20 CHED C#CCCCCCC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 779927328 YZSRPVGMACDTRK-GJZGRUSLSA-N 263.425 3.901 30 20 CHED CC(=NNc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 779752098 GZMXQFKPYZTUHJ-GOSISDBHSA-N 293.414 3.997 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(C(F)F)cc2)n(C)n1 789155496 AIGNVQHXPLICTD-VMPITWQZSA-N 276.286 3.562 30 20 CHED Cc1ccc(C(=O)NC[C@H]2CCCC(C)(C)C2)cc1C#N 1129765095 BUBZLCJHKZDFFC-AWEZNQCLSA-N 284.403 3.813 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc(-c2ccco2)on1 785755348 WWXIRZGFEYLQOE-OAHLLOKOSA-N 275.304 3.580 30 20 CHED Cc1cc(C=NNc2cccc(Cl)c2)sn1 785450064 CCLHZXLUTPUSOC-UHFFFAOYSA-N 251.742 3.551 30 20 CHED C#CCCCCCC(=O)Nc1n[nH]c(-c2ccc(C)o2)c1C 780654722 BNQVWCUYWFKSQV-UHFFFAOYSA-N 299.374 3.809 30 20 CHED C=C1CCC(C(=O)Nc2nccn2Cc2ccccc2)CC1 890928291 ZVYUPUBYSCRXGH-UHFFFAOYSA-N 295.386 3.616 30 20 CHED C=CCCCCCOC(=O)c1cncnc1C(C)C 783041916 SQCRJLNOYGXWRJ-UHFFFAOYSA-N 262.353 3.503 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1cc2ccccc2nc1O 785758004 REGGPNRHDJWDJJ-QGZVFWFLSA-N 285.343 3.586 30 20 CHED CCCCCCCCCNC(=O)N1CCC[C@H](OC)CC1 783162557 LUDNANDZIDHDOX-INIZCTEOSA-N 298.471 3.948 30 20 CHED C=C[C@H](Cc1nc(CCCCF)no1)c1ccccc1 897207599 KSTOZEUNSNTYEE-CYBMUJFWSA-N 274.339 3.874 30 20 CHED N#Cc1ccc(COC(=O)c2ccc(F)cc2)c(Cl)c1 784184666 DIYHPRMUNBTYMK-UHFFFAOYSA-N 289.693 3.708 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccnc(Cl)c2)c(F)c1 782195372 XLHKQQSBUDVYHO-ARJAWSKDSA-N 286.693 3.642 30 20 CHED C=C[C@H]1CCCCN1Cc1cc(=O)oc2cc(C)ccc12 785997759 RZBRCBSVQKUQQB-HNNXBMFYSA-N 283.371 3.642 30 20 CHED N#CC1(CCCC[S@@](=O)c2ccccc2)CCC1 899275874 JGSOJFYODLJQKC-GOSISDBHSA-N 261.390 3.658 30 20 CHED C=CCC[C@H](CC)N[C@H](C)[C@@H](O)c1ccc(C)cc1 797065848 ZXFULMWLHVPDQJ-HYVNUMGLSA-N 261.409 3.751 30 20 CHED Cc1cccnc1NN=C/C=C\c1ccc(F)cc1 790193092 SFTCEMGULPRODS-OULJEYJISA-N 255.296 3.640 30 20 CHED Cc1ccc(O)c(C(=O)/C=C/c2c(F)ccc(O)c2F)c1 794940550 AAISWJQZRISFEX-ZZXKWVIFSA-N 290.265 3.581 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)CC[C@@H](C)CC 796786839 OJCQJNHPUNBAJV-LBPRGKRZSA-N 275.348 3.689 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)c2ccccc2)c1 1202508156 UQWMJXWUARRHKU-ZDUSSCGKSA-N 279.343 3.749 30 20 CHED C#CCCCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1 798674481 VGEVXYKJDDEDMR-JTQLQIEISA-N 285.265 3.508 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1cccc2[nH]ccc12 790311133 XMIOYQOEQLSUSS-UHFFFAOYSA-N 298.277 3.661 30 20 CHED C=CCOc1ccc(COC(=O)[C@@H]2CCC(F)(F)C2)cc1 796844880 RALLOIZFYJMQOM-CYBMUJFWSA-N 296.313 3.730 30 20 CHED N#Cc1ccc(O)c(NC(=O)[C@@H](F)CC2CCCCC2)c1 793736637 ZJHKAPXDNKWLTO-ZDUSSCGKSA-N 290.338 3.511 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)C[C@H](CC#N)c1ccccc1 796829684 MZLYTFRKMNVHTH-GJZGRUSLSA-N 284.359 3.555 30 20 CHED C=CCN(CCC#N)Cc1cc(C)cc(C(C)(C)C)c1O 793566826 JVNPGSWNJQNACS-UHFFFAOYSA-N 286.419 3.900 30 20 CHED Cc1ccc(C2=CCN(C[C@H](C#N)CCC#N)CC2)cc1 798036004 RRRRBWYKHVTVGQ-INIZCTEOSA-N 279.387 3.528 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2C[C@H](c3ccccc3F)C2)c1 797785256 YBBNQOCKKRSKNZ-XZYYFDHCSA-N 299.345 3.905 30 20 CHED N#Cc1ccc(NC(C2CC2)C2CC2)c(Br)c1 37072294 KYLAYBJWVITNJY-UHFFFAOYSA-N 291.192 3.921 30 20 CHED C[C@@H](NN=Cc1c[nH]nc1-c1ccccc1F)C(C)(C)C 793116396 XLQHXMVELJPJRU-LLVKDONJSA-N 288.370 3.574 30 20 CHED COc1ccc(Cl)cc1C=NNc1cccc(Cl)n1 793163022 VGJWIJNPMKRBDV-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C#Cc1cccc(NCc2ccnn2-c2ccc(F)cc2)c1 793080694 IONGYVCGFADJNN-UHFFFAOYSA-N 291.329 3.605 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCCC(C)(C)CC2)c1 1219113168 JCAIBBHLCWXYSQ-UHFFFAOYSA-N 285.391 3.911 30 20 CHED C[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1cccs1 1219799418 QWBPSZXPURBAMT-SECBINFHSA-N 289.335 3.642 30 20 CHED C=C(CNc1cccc(F)c1C#N)c1ccccc1 134359059 AEFBINIOSSHKJK-UHFFFAOYSA-N 252.292 3.823 30 20 CHED N#Cc1nccc(Oc2ccc(SC(F)(F)F)cc2)n1 1307115485 PAKXYRKRJGJGSU-UHFFFAOYSA-N 297.261 3.752 30 20 CHED COc1ccc(C#N)cc1CN1CCCC[C@H]1CC(C)C 1307558519 RCFNAURVSRQPFR-KRWDZBQOSA-N 286.419 3.967 30 20 CHED CCN(CCOc1ccc(C#N)cc1)Cc1ccccc1F 1318172770 BCWJHPPNZNQXCR-UHFFFAOYSA-N 298.361 3.598 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1NCc1cc(C#N)ccn1 1169368187 VIWDDHBJDCODHB-RDJZCZTQSA-N 271.408 3.648 30 20 CHED C[C@@H](OC(=O)CC#Cc1ccccc1)c1ccccc1 1319118068 RLODPUGVFKDJNQ-OAHLLOKOSA-N 264.324 3.733 30 20 CHED CSCCCCCN[C@@H](C)c1ccc(C#N)cc1 186771824 RHBCPSUPTRLGAM-ZDUSSCGKSA-N 262.422 3.742 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@H](C(C)C)Nc2ccccc21 1327982398 VXJCKCQVRXMYOG-CYBMUJFWSA-N 294.345 3.681 30 20 CHED CC(C)(C)c1nnc(CCCCOc2cccc(C#N)c2)o1 1322311571 DXMMZPREYDKHFA-UHFFFAOYSA-N 299.374 3.640 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3CC34CCCC4)o2)cc1 1322325297 MMZBDGJUDANNDW-ZDUSSCGKSA-N 265.316 3.656 30 20 CHED CCCCCCC(=O)COC(=O)c1cccc(C#N)c1C 1327123492 GGUIBPINCQDDJL-UHFFFAOYSA-N 287.359 3.563 30 20 CHED CN(Cc1ccsc1)c1nc(C(F)(F)F)ccc1C#N 78833145 NAXYIWOZXSXTRZ-UHFFFAOYSA-N 297.305 3.670 30 20 CHED C=CCCCCOc1ccc(C(C)=O)cc1[N+](=O)[O-] 571512268 KIKRFHMIBNFYJH-UHFFFAOYSA-N 263.293 3.533 30 20 CHED CCC(C)(C)c1noc(C2(c3cccc(C#N)c3)CC2)n1 1335529183 NEQVWOSDQOBVCR-UHFFFAOYSA-N 281.359 3.709 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCCC(F)(F)F 1337679600 MSRILGYDNNSEHI-LLVKDONJSA-N 263.303 3.676 30 20 CHED N#Cc1ccccc1N(C(=O)Cc1cccs1)C1CCC1 1331916573 GWARWNYLLVSPMG-UHFFFAOYSA-N 296.395 3.748 30 20 CHED C[C@H](N[C@H](C)COc1ccccc1F)c1ccc(C#N)cc1 1254184008 IFXYRSCPTGCSOO-KGLIPLIRSA-N 298.361 3.815 30 20 CHED CCCCCCCN1CCC[C@@H]1C1CCOCC1 777739625 MKRQDUODDORYAI-MRXNPFEDSA-N 253.430 3.848 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@](O)(CC)C1 779334694 BZZZMZDCRWQVIC-KRWDZBQOSA-N 283.456 3.891 30 20 CHED CCN(CCNc1ccc(C#N)c(C)n1)c1ccccc1C 1184874833 VQTVNUODBPCDRC-UHFFFAOYSA-N 294.402 3.509 30 20 CHED CC(C)c1ncc(C(=O)OCCC2(C#N)CCCCC2)[nH]1 1345064608 NQMRJRQPYHBNST-UHFFFAOYSA-N 289.379 3.554 30 20 CHED C[C@]1(C(=O)O[C@@H](CC#N)c2ccco2)C[C@H]2CC[C@H]1C2 1347949581 ZBLXDXAJECVHIW-DUPGQFARSA-N 273.332 3.604 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)[C@@H](C#N)c1ccccn1 1342037526 SHOCFYWXYWMLHQ-ZDUSSCGKSA-N 282.343 3.771 30 20 CHED C[C@H](C#N)OC(=O)c1ccc2c(c1)oc1ccccc12 1341108533 VYAGHFOOZCMJMN-SNVBAGLBSA-N 265.268 3.655 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1345432893 LAMSOSFHQJEBTG-OTYXRUKQSA-N 282.746 3.596 30 20 CHED Cc1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C)cc1C#N 1275030304 SBVDPTJCDLUYJG-CXAGYDPISA-N 270.376 3.565 30 20 CHED Cc1oc2ccccc2c1CNC(=O)c1csc(C#N)c1 1358470852 RTVTYFMWAIFIIP-UHFFFAOYSA-N 296.351 3.604 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C#N)ccc1F 1516965642 YMFIKXQQRTTXAE-CJNGLKHVSA-N 288.366 3.738 30 20 CHED C=C[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1 1519811649 HHQMYXGRFVGIIM-DLBZAZTESA-N 299.414 3.564 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C(C)(F)F)n1CC=C 1520355439 JRWLBFCTZCZNAA-LBPRGKRZSA-N 296.365 3.511 30 20 CHED CC[C@@H](C)CON=C1CCC[C@H](CCCC(=O)O)C1 1604955555 INASRLBXJFENMW-CHWSQXEVSA-N 269.385 3.850 30 20 CHED Cc1ccccc1CC(=O)N(C)c1ccc(C#N)c(Cl)c1 1535035539 ZGOAAMLDXAHKIX-UHFFFAOYSA-N 298.773 3.726 30 20 CHED Cc1cc(N2CCC(C)(c3ccccc3)CC2)c(C#N)cn1 1612148905 MNJWJGDOUOSHGB-UHFFFAOYSA-N 291.398 3.820 30 20 CHED Cc1c(CNc2ncc(C#N)cc2F)oc2ccccc12 1611979511 DNEDJZARXMSYEJ-UHFFFAOYSA-N 281.290 3.759 30 20 CHED CC[C@H]1CCCCCN1C(=O)[C@H](C#N)CCc1ccccc1 1544114856 KVJJJSMYGJCCLQ-ROUUACIJSA-N 298.430 3.940 30 20 CHED CCC(C)(C)c1ccc(NC(=O)N2CC(C)(C#N)C2)cc1 1476539328 XIULENBZYRGIGA-UHFFFAOYSA-N 285.391 3.752 30 20 CHED CCN(CC(C)(C)C)c1ncc(Cl)c(C)c1C#N 1559200608 SULPWSYWEUQZAK-UHFFFAOYSA-N 265.788 3.788 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2C[C@@H](C)C[C@H](C)C2)c1 1562939397 HMWMRBTUHCDDCH-RYUDHWBXSA-N 285.391 3.813 30 20 CHED N#Cc1c(F)cccc1SCCN1CCc2ccccc21 1643959346 YVEHILMEHJKRTJ-UHFFFAOYSA-N 298.386 3.852 30 20 CHED C[C@@H]1CCCC[C@H]1Cn1c(C(F)(F)F)ccc(C#N)c1=O 1652171337 VBCXIEDRCJNOMK-PWSUYJOCSA-N 298.308 3.565 30 20 CHED Cc1nc(N2CC(C)(c3ccccc3)C2)c(Cl)cc1C#N 1651266666 OSENOFVRLQYYDS-UHFFFAOYSA-N 297.789 3.693 30 20 CHED C[C@@H]1Oc2ccccc2[C@@H]1Nc1nc(C#N)c(Cl)s1 1651118049 HYAMBANPCOHFFP-WRWORJQWSA-N 291.763 3.602 30 20 CHED C=CC[C@H](N[C@H]1CC(C)(C)CCc2ccccc21)C(=O)O 1588745498 JLGCOSSCVZAIFY-HOTGVXAUSA-N 287.403 3.709 30 20 CHED Cc1cc(NC[C@@H]2CCCC(C)(C)C2)ncc1C#N 1651151304 NFRLTKLFUZDUAU-CYBMUJFWSA-N 257.381 3.890 30 20 CHED Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)ccc1F 1584415138 JYGBAYZCCATWCR-ZDUSSCGKSA-N 296.345 3.839 30 20 CHED C=CCC1(NCc2csc(C(=O)O)c2)CCCCC1 1588769600 ZLWVJZVOQMCQPY-UHFFFAOYSA-N 279.405 3.815 30 20 CHED COc1cc(CN2CC(C3CCCCC3)C2)ccc1C#N 1664948502 OQYPZUKTMCJRFX-UHFFFAOYSA-N 284.403 3.579 30 20 CHED Cc1cccc2c1CCN2C(=O)Nc1ccc(F)c(C#N)c1 1668716602 YXNMJOIFHXNGEK-UHFFFAOYSA-N 295.317 3.600 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1)[C@@H]1CC1(C)C 1776037636 RZIAFZHGQKUNEF-LBPRGKRZSA-N 260.337 3.609 30 20 CHED CCCCCCC[C@@H](C)CNc1ncncc1C(=O)O 1776782289 CHUABTIUJBZVBJ-GFCCVEGCSA-N 279.384 3.583 30 20 CHED O=C(O)c1cc(NN=C2CCC3(CC2)CC3)ccc1F 1776062945 SRXKVFVYHDPDFO-UHFFFAOYSA-N 276.311 3.646 30 20 CHED C[C@H](CC#N)N(C)Cc1ccc(-c2ccccc2C#N)cc1 161888536 UVQOGSTYPXHAON-OAHLLOKOSA-N 289.382 3.959 30 20 CHED C[C@H](CC(=O)Oc1ccc(C#N)cc1F)c1ccccc1 158250583 CPJNSRZHNPSHLZ-GFCCVEGCSA-N 283.302 3.797 30 20 CHED N#CCC[C@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 163534325 UZNATLFPMPPXGD-INIZCTEOSA-N 297.333 3.992 30 20 CHED CCCC1(CNCc2ccc(O[C@@H](C)C#N)cc2)CC1 151572486 XSASNJIKMIGOEC-AWEZNQCLSA-N 272.392 3.647 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 152829072 FVNRMDXGNHDHJH-JQWIXIFHSA-N 292.329 3.535 30 20 CHED CCn1c(-c2ccc(COC)cc2)nc2cc(C#N)ccc21 155106939 NHHDPRRSXOMYPC-UHFFFAOYSA-N 291.354 3.741 30 20 CHED CCCCCCCCOCC(=O)Nc1c(C)noc1CC 153977657 ZCWVCLSIJUBSMI-UHFFFAOYSA-N 296.411 3.861 30 20 CHED C=CCCNc1ccc(C(=O)NC2CCCCC2)cc1 157165943 LCGJCMXOYBZDQY-UHFFFAOYSA-N 272.392 3.737 30 20 CHED COc1cc(/C=C2/CCCC(C)(C)C2=O)ccc1OCC#N 159011261 JMXYDPQZQGMIRJ-KAMYIIQDSA-N 299.370 3.760 30 20 CHED CCCN(Cc1ccccc1O)Cc1cc(F)ccc1C#N 159486251 AIUYGTHKXWHXOP-UHFFFAOYSA-N 298.361 3.815 30 20 CHED Cc1cc(C)cc(OCCOc2cccc(C#N)c2)c1 11859926 HPYCQKJDDMVFSE-UHFFFAOYSA-N 267.328 3.633 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)[C@@H]1C[C@H]2CC[C@H]1C2 251515376 IVDLODNUSXZAQP-DUPGQFARSA-N 272.367 3.612 30 20 CHED CC[C@](C)(C#N)NC(=O)CCSc1ccccc1Cl 127516707 RZHCSFKWRRYIKF-CQSZACIVSA-N 296.823 3.631 30 20 CHED CN(C(=O)c1ccc(F)cc1Cl)c1ccccc1C#N 128645861 XZVXPTUAROBZNF-UHFFFAOYSA-N 288.709 3.627 30 20 CHED C[C@@H](CCc1ccco1)Nc1cccc(F)c1C#N 35135015 FDEVNKHXFPIZRM-NSHDSACASA-N 258.296 3.724 30 20 CHED CC(C)c1ccc(CNCc2ccc(C#N)cc2)cc1 37505896 WGSDYZAZBXAXGT-UHFFFAOYSA-N 264.372 3.971 30 20 CHED CCCC1CCN(Cc2ccc(C#N)cc2C)CC1 165472662 NCIMYMNQYZFCLG-UHFFFAOYSA-N 256.393 3.879 30 20 CHED C[C@H](CC(C)(C)O)Nc1ccc(C(F)(F)F)c(C#N)c1 295087031 YQKXBZBHRRRYOE-SECBINFHSA-N 286.297 3.538 30 20 CHED Cc1cc(C#N)cc(NC(=O)CC(C)(C)C2CC2)c1 405743649 ARSNIPKRTZDDCU-UHFFFAOYSA-N 256.349 3.632 30 20 CHED C[C@@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)[C@@H]1C 513651288 YINURORKYNXZHP-GIPNMCIBSA-N 263.772 3.843 30 20 CHED CN(C(=O)c1csc(Cl)c1)c1ccccc1C#N 336005790 XAAPLXLCKIJOBL-UHFFFAOYSA-N 276.748 3.550 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1Nc1ncc(C#N)cc1Cl 354085370 HPKKKCKCRMAIEW-GBIKHYSHSA-N 263.772 3.843 30 20 CHED C=CCCCCN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O 649528081 JCWRRYHOXMKTSQ-ZACQAIPSSA-N 265.441 3.748 30 20 CHED CCc1sc(C(=O)Nc2cccc(CC#N)c2)cc1C 456731623 MUWBVNBYBONUIW-UHFFFAOYSA-N 284.384 3.937 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cccc(NC(C)=O)c1 384920790 GKWAJNOOPVKHMJ-LBPRGKRZSA-N 260.381 3.508 30 20 CHED N#Cc1c(F)cccc1NC1CCC(F)(F)CC1 390027815 WVKSJBFMYGECLD-UHFFFAOYSA-N 254.255 3.687 30 20 CHED C=CCNc1nnc(SCc2ccccc2C)s1 5784895 SGPIFLIVWBIPEN-UHFFFAOYSA-N 277.418 3.737 30 20 CHED Cc1ccc(NCc2ccc(C#N)cc2F)cc1C 20050862 DNTKOTCGEHPFOR-UHFFFAOYSA-N 254.308 3.926 30 20 CHED N#CCc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 28437302 PZQFLVBWYXZSHQ-SJORKVTESA-N 294.329 3.634 30 20 CHED C=C(C)CN(CC)C(=O)CCCc1c[nH]c2ccccc12 35133899 ICZNWIXXFQUNLR-UHFFFAOYSA-N 284.403 3.915 30 20 CHED N#Cc1ccc(Cl)cc1NCc1ccc2c(c1)CCO2 37363193 MMXCXZABDKOIJJ-UHFFFAOYSA-N 284.746 3.759 30 20 CHED CCCCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 41559096 LYNZMLHYPDEVEX-JTQLQIEISA-N 291.301 3.798 30 20 CHED N#Cc1ccc(CNC(=O)c2cc3ccccc3s2)cc1 43749272 LGDVJNNAAHUBMJ-UHFFFAOYSA-N 292.363 3.703 30 20 CHED COc1ccc(Cl)cc1CN(CCC#N)CC(C)C 49800861 VHFLLAUXQBQBDV-UHFFFAOYSA-N 280.799 3.720 30 20 CHED C=CCNC(=O)N1CCC[C@@H]1c1cccc2ccccc12 56541602 YTPKLJKACYCZGR-QGZVFWFLSA-N 280.371 3.872 30 20 CHED COc1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1 60340078 QGDVOBNRUDFXKC-NTEUORMPSA-N 280.323 3.613 30 20 CHED C=CCCC(=O)N1CCCc2cc(Cl)cc(F)c21 68145267 ANSYPFBMQKTNSL-UHFFFAOYSA-N 267.731 3.725 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)c(C)n1)c1ccc(C)cc1 68348036 DGARTISNEXQFAA-QGZVFWFLSA-N 294.354 3.878 30 20 CHED CCCCCC(=O)Nc1ccc(C#N)c(Cl)c1 68682808 KDEKULBZLIZPDZ-UHFFFAOYSA-N 250.729 3.730 30 20 CHED C[C@H](c1ccco1)N(C)Cc1cn2ccccc2c1C#N 69067450 DPODWNAAWTZJLD-CYBMUJFWSA-N 279.343 3.597 30 20 CHED CCC[C@H](C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 71833957 JYHSBCPOBGJMGS-HNNXBMFYSA-N 292.382 3.856 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(C(C)C)no1 72647275 SLGYVTFYELNCLE-UHFFFAOYSA-N 290.388 3.688 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(Cl)c2cccnc12 75715214 QUQODHALXBGNPS-UHFFFAOYSA-N 288.778 3.926 30 20 CHED C=CCCNc1cc(Cl)ccc1C(=O)N1CCCCC1 77245157 JFZPJQXQXUAFDU-UHFFFAOYSA-N 292.810 3.954 30 20 CHED CCn1nc(CNc2cccc(C#N)c2)c2ccccc21 89173969 RBTLKQINQIHABP-UHFFFAOYSA-N 276.343 3.540 30 20 CHED CC(C)(CCC#N)CNc1ccccc1-n1cccn1 92138011 PVXYIUAMXWNZEV-UHFFFAOYSA-N 268.364 3.614 30 20 CHED CCS[C@H]1CCCCN(CC(C)(C)CCC#N)C1 93361896 SDQHLHFIDOTJFS-AWEZNQCLSA-N 268.470 3.924 30 20 CHED CCOc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1 98008530 CHJRKOCDONHVEK-WDZFZDKYSA-N 297.310 3.890 30 20 CHED C#Cc1cccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 107202688 RTEUPNKQGDDRBK-QWHCGFSZSA-N 295.304 3.975 30 20 CHED CN(CCCNc1ccc(F)cc1C#N)c1ccccc1 111238324 QJDUOQWIMKJNDN-UHFFFAOYSA-N 283.350 3.636 30 20 CHED CCCCCCC[C@H](C)CNC(=O)CC1CCOCC1 117134024 FYCJQSATWDVLEY-HNNXBMFYSA-N 283.456 3.916 30 20 CHED Cc1nc(C)c(C#N)c(SCCCSCC(C)C)n1 119089780 DSXUIWHOWALALK-UHFFFAOYSA-N 295.477 3.837 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 119327690 JJOBZWTVBJPFPM-IAGOWNOFSA-N 294.483 3.680 30 20 CHED CCOc1cc(C)ccc1NCc1ccc(C#N)s1 119861724 XMCHRZNAESGIOO-UHFFFAOYSA-N 272.373 3.939 30 20 CHED C=CCN(C(=O)c1cccc(Cl)n1)c1ccccc1 121593578 MBQWUCQHJJFSEN-UHFFFAOYSA-N 272.735 3.568 30 20 CHED COc1cccc(OC)c1/C=C1/Cc2ccccc2C1=O 121783715 BKEZWXBUVUZVEY-QBFSEMIESA-N 280.323 3.526 30 20 CHED C=C(C)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 121819722 ZKFNDFHNZHUMBR-LBPRGKRZSA-N 273.355 3.547 30 20 CHED Cc1ccc(C#N)cc1OCc1cnc(Cl)s1 121824691 FKHDAQYISUSJHY-UHFFFAOYSA-N 264.737 3.556 30 20 CHED C=C(C)CN1CCC(NC[C@H](C)c2ccc(F)cc2)CC1 127890822 LRKDUYWDWBOICF-HNNXBMFYSA-N 290.426 3.559 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cn1 129178671 NIYSNIGOAKQHAN-UHFFFAOYSA-N 286.762 3.563 30 20 CHED C=CCCS(=O)(=O)Oc1ccccc1-c1ccccc1 129220625 VWEYFVOCPQSMIJ-UHFFFAOYSA-N 288.368 3.638 30 20 CHED COc1cc(C#N)ccc1NCc1ccc(Cl)c(F)c1 129939618 BMFHXWGOVHSUJX-UHFFFAOYSA-N 290.725 3.971 30 20 CHED C=CCCC(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 131205323 FHDMDPYVWGBMHC-ZDUSSCGKSA-N 293.794 3.676 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c(NC(C)=O)c1 134983633 CRLOJBQDZCKWOH-OAHLLOKOSA-N 294.782 3.839 30 20 CHED CC(C)(C#N)c1ccccc1CN(CCC#N)CC1CC1 135245416 NPPMPYYBOWGYHS-UHFFFAOYSA-N 281.403 3.613 30 20 CHED C=CCOc1ccc(Br)cc1C(=O)CC 140953111 QVRQCGBOPAFDLW-UHFFFAOYSA-N 269.138 3.607 30 20 CHED C[C@H](CC#N)NC(=O)Nc1ccccc1Cc1ccccc1 153534746 LYLJEAHVYRYPJJ-CQSZACIVSA-N 293.370 3.701 30 20 CHED CCn1cc(C(=O)/C=C/c2cnc(C3CCC3)s2)cn1 157242766 YMJCVJFVBPLPTN-VOTSOKGWSA-N 287.388 3.523 30 20 CHED CC[C@H](C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 160585250 AIROTJSBYSBXGT-JTQLQIEISA-N 285.372 3.666 30 20 CHED C=CCN(C)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 161222130 GTDNXSBIFZCFNI-GOSISDBHSA-N 294.398 3.912 30 20 CHED C#CCCCCNCc1ccc(Br)cc1C 165955596 BXGSGIDDGBJFKN-UHFFFAOYSA-N 280.209 3.651 30 20 CHED N#Cc1ccc(N[C@@H]2CCc3c(O)cccc32)c(F)c1 168244384 YGODOFWDQWHCAA-CQSZACIVSA-N 268.291 3.502 30 20 CHED N#CCCCOC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173535150 QRPVDCBIKCHWBL-CHWSQXEVSA-N 298.169 3.944 30 20 CHED N#CCC1(COC(=O)CCCc2c[nH]c3ccccc23)CC1 174746906 VNHZOJGKKBYPLJ-UHFFFAOYSA-N 296.370 3.728 30 20 CHED N#Cc1c[nH]c(C(=O)N[C@H](c2ccccc2)C2CCCC2)c1 175611231 XMOIPACQMRPURW-QGZVFWFLSA-N 293.370 3.548 30 20 CHED Cc1cc(C)c(CNCc2ccc(C#N)s2)c(C)c1 176958491 OTWBOWWKJYYQJK-UHFFFAOYSA-N 270.401 3.835 30 20 CHED CCCCC[C@H](C)NC(=O)CSc1cccc(C#N)c1 177108074 IXYODHAYYLXSRB-ZDUSSCGKSA-N 290.432 3.735 30 20 CHED C=CCN1CCC(N[C@H](C)c2cc(C)c(C)cc2C)CC1 177913718 ZPYFKVVMJGNVSF-QGZVFWFLSA-N 286.463 3.913 30 20 CHED Cc1c(C#N)cccc1NC(=O)CCC(=O)c1cccs1 178386095 QFDGDOIZBRHJKX-UHFFFAOYSA-N 298.367 3.530 30 20 CHED COc1cc(Cl)c(CNCCCCC#N)cc1Cl 179302467 PXIVFYVGWBCXDU-UHFFFAOYSA-N 287.190 3.785 30 20 CHED CCCCCN(C(=O)c1c[nH]c(C#N)c1)[C@H](C)CCC 181300981 QGVIWURLSOESRX-CYBMUJFWSA-N 275.396 3.707 30 20 CHED COC[C@H](C#N)Nc1ccc(OCc2ccccc2)cc1C 181336155 YUTIWYAOIGGWOQ-INIZCTEOSA-N 296.370 3.525 30 20 CHED CS[C@H]1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1 181768473 WIIBTFDOLNUQNR-MAZHCROVSA-N 274.433 3.883 30 20 CHED Cc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1F 182132410 JGMWJWFKSOXKPM-LBPRGKRZSA-N 298.317 3.677 30 20 CHED C[C@H](C#N)CNC(=O)N1CCC[C@H]1CCC1CCCCC1 182757226 BQUXUYOEWBUEBO-ZBFHGGJFSA-N 291.439 3.681 30 20 CHED COc1ccc(Cl)cc1N[C@@H]1CCC[C@H](C#N)C1 185735238 AXYAXBHAMRZGBZ-CMPLNLGQSA-N 264.756 3.843 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccc(CCN3CCCC3)cc2)C1 185741632 MEVDCJNCODMKFK-PKOBYXMFSA-N 297.446 3.819 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)c1cccnc1)c1ccccc1 187480128 MEDNCVVOYMZSGB-RHSMWYFYSA-N 280.371 3.619 30 20 CHED C=CCC(CC=C)C(=O)N[C@H]1CCOc2c(F)cccc21 188993549 QWDMHXGPNWEVGC-HNNXBMFYSA-N 289.350 3.534 30 20 CHED C=CCCCC(=O)N(Cc1c(F)cccc1F)C1CC1 190003520 LCEDNTNURNUEPZ-UHFFFAOYSA-N 279.330 3.812 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C/c1cn(C(C)(C)C)nn1)C2=O 191334489 DBOCCWQOOUUTRM-CDCQXCROSA-N 295.386 3.725 30 20 CHED C#CCCCCN[C@@H]1CCSc2ccc(OC)cc21 191534325 YHCIEMQUDQMZTN-OAHLLOKOSA-N 275.417 3.625 30 20 CHED C#CCCCC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 192386210 AWPKFQAOROEMKW-MRXNPFEDSA-N 293.357 3.972 30 20 CHED C[C@@H](OC(=O)CSCC#N)c1ccc(C(C)(C)C)cc1 192589974 LJPAJRMYPNSTKW-GFCCVEGCSA-N 291.416 3.845 30 20 CHED COc1cc(/C=C/C(=O)c2cccc(O)c2)ccc1C 193125281 SUALBXZCVIZQQY-CMDGGOBGSA-N 268.312 3.605 30 20 CHED CCCC[C@H](CC)CNC(=O)c1ccccc1OCC#N 194117868 XSACVQWUZZUUHG-AWEZNQCLSA-N 288.391 3.535 30 20 CHED C=CCOc1ccc(C(=O)N[C@@H](CC)CCC)cc1OC 195143347 YSDSKEQJJNANIN-AWEZNQCLSA-N 291.391 3.569 30 20 CHED Cc1cc(C)cc(/C=C2/COc3ccccc3C2=O)c1 209251565 KAQGRTSGAXDJHL-GDNBJRDFSA-N 264.324 3.962 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cccs1 211952101 OPPPRPUCUVTWJD-SREVYHEPSA-N 258.342 3.961 30 20 CHED N#Cc1ccccc1/C=C\C(=O)NCc1ccccc1Cl 213188566 XQEPURNMGHLBTI-KTKRTIGZSA-N 296.757 3.541 30 20 CHED C#C[C@H](CC)NCc1cc(Br)c(Cl)s1 229879436 KPOOHERVJZDAQF-SSDOTTSWSA-N 292.629 3.665 30 20 CHED C[C@@H]1[C@@H](NCc2ccc(C#N)cc2F)CCC[C@H]1C 252174100 OPSVUENCWMRTAL-WQGACYEGSA-N 260.356 3.612 30 20 CHED N#CCCCOc1cccc(/C=C\C(=O)c2ccco2)c1 255418837 KERYGPYRTGFMRI-HJWRWDBZSA-N 281.311 3.858 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(C#N)c2)o1 255884235 RQBNINNBNOURPV-VURMDHGXSA-N 251.285 3.610 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(c2ncccc2C#N)C1 266185384 AMKJPXWNVRYLEW-BLLLJJGKSA-N 281.334 3.680 30 20 CHED N#CCCCCN1CCCCC[C@@H]1C[C@H](O)c1ccco1 268397265 STXCCPBXJDHEFM-CVEARBPZSA-N 290.407 3.642 30 20 CHED C#CCCCCC(=O)N(Cc1ccc(F)cc1)C(C)C 271351992 GOGVODMLLMGRGE-UHFFFAOYSA-N 275.367 3.756 30 20 CHED CC(C)(C)[C@H](NC(=O)NCCCC#N)c1cccc(F)c1 273191047 HJMBURGMWQKGPY-CQSZACIVSA-N 291.370 3.516 30 20 CHED Cc1csc([C@H](C)CNc2ncc(C#N)cc2Cl)n1 273320262 PCTHRFVESZWFDU-MRVPVSSYSA-N 292.795 3.587 30 20 CHED C#CCCCCc1nc(Cc2csc(C(C)C)n2)no1 273996456 ZCTZHDCHYHNIRY-UHFFFAOYSA-N 289.404 3.586 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1ccsc1 274284760 LTDWQMSNWHLIIZ-CQSZACIVSA-N 261.390 3.605 30 20 CHED N#CCCCNCc1cc(Br)c(Cl)s1 276588620 CZSAUJXAKCIORU-UHFFFAOYSA-N 293.617 3.557 30 20 CHED CN(Cc1ccccc1OC(F)(F)F)[C@H]1CC[C@@H](C#N)C1 278534067 FNAHFPIWEAILRY-YPMHNXCESA-N 298.308 3.709 30 20 CHED Cn1c(-c2ccccc2)cnc1S[C@@H]1CC[C@H](C#N)C1 278557624 MIGJDXJJFNKPQR-GXTWGEPZSA-N 283.400 3.871 30 20 CHED Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C#N)oc2C)c1 280749805 MGZQZWYWHJVDOG-KRWDZBQOSA-N 294.354 3.745 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H](CC)c1ccncc1 281213524 CPRHRFIJSWLTTF-LSDHHAIUSA-N 275.396 3.529 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1cc(C(C)C)c(O)cc1C 285489219 AGXTZHVVXYADOC-MRXNPFEDSA-N 274.364 3.702 30 20 CHED C=C(Cl)CNC(=O)N(C)[C@H](CC)c1cccc(OC)c1 288893240 PLXONZMCTMHPKV-CQSZACIVSA-N 296.798 3.540 30 20 CHED C=CCC[C@H](NCc1cncc(OC)c1)c1ccccc1 290131775 ZNFXHAMMIZLGIB-SFHVURJKSA-N 282.387 3.887 30 20 CHED CCSc1cccc(F)c1NC(=O)CC(C)(C)C#N 291621454 IIHMNCGLRDAVOD-UHFFFAOYSA-N 280.368 3.816 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCC#N)o1 292142847 OWDOVPQJJINZJB-GXTWGEPZSA-N 274.364 3.582 30 20 CHED C=CCOCCSc1nc2ccccc2n1C(F)F 292747915 VICLGRSXVFFLGD-UHFFFAOYSA-N 284.331 3.726 30 20 CHED Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c(C)c1 294193602 GHPFLRGSDVYCAO-QGZVFWFLSA-N 268.360 3.716 30 20 CHED CC[C@H](C#N)NC(=O)C(C)(C)c1cccc2ccccc12 294651341 URAPSDQNMVLWDQ-CQSZACIVSA-N 280.371 3.536 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 295267955 LIDWOHLAIIDPGU-GDBMZVCRSA-N 271.404 3.678 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ncc(C)s1)CC2 295955145 PFAQHAQZFWEOBZ-MDWZMJQESA-N 269.369 3.972 30 20 CHED C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[C@H]2CC[C@H]1C2 300136969 PHNZUHWFYXXMLS-XKNYDFJKSA-N 281.812 3.905 30 20 CHED C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(C#N)cc1F 301742278 LPJLCAFQOWLEMV-SJKOYZFVSA-N 284.334 3.621 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)[C@H]1COc2ccccc21 301815550 DDYWKOCHZGNAHY-XHDPSFHLSA-N 282.318 3.674 30 20 CHED N#Cc1c(Cl)nsc1Oc1ccc2c(c1)CCC2 301932686 PKWGWCPLKWLONS-UHFFFAOYSA-N 276.748 3.949 30 20 CHED C[C@@H]1C[C@H]2CCCC[C@H]2N1CCOc1cccc(C#N)c1 303669006 FVDWBDPPYQJAFO-QGPMSJSTSA-N 284.403 3.590 30 20 CHED CCC[C@H](CC(C)C)C(=O)N(C)c1cccc(C#N)c1 308092116 SWZCSJIYRGMPNZ-OAHLLOKOSA-N 272.392 3.983 30 20 CHED CC(C)(CC#N)CNC(=O)Nc1ccc(C(F)(F)F)cc1 315516677 GUFRFRINTSCPSW-UHFFFAOYSA-N 299.296 3.767 30 20 CHED COc1ccc(OCCOc2c(C)cc(C#N)cc2C)cc1 316215311 RCHGSLCWAFMLBN-UHFFFAOYSA-N 297.354 3.642 30 20 CHED Cc1ncc(N=C(O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cn1 328775107 KMTKOMBOCXGOJQ-HZSPNIEDSA-N 273.380 3.980 30 20 CHED CCc1onc(C)c1N=C(O)N1C[C@H](C)c2ccccc21 328879362 JZAOPECMDQXMPC-JTQLQIEISA-N 285.347 3.715 30 20 CHED CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)[C@H]1CCCSC1 329577305 OQEJIRACVLLRBT-DMDPSCGWSA-N 298.452 3.620 30 20 CHED O/C(=N/C1CCC2(CC1)CC2)c1cc(O)nc(C2CC2)c1 329948351 KQSYKZUOQPONSR-UHFFFAOYSA-N 286.375 3.692 30 20 CHED CC(C)Oc1ccccc1C/N=C(/O)N[C@H]1CC[C@@H](C)C1 331237851 VBUJIFXXWKFWKB-HIFRSBDPSA-N 290.407 3.666 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccsc2Cl)no1 335184493 CLKQNAXELRLNIK-LLVKDONJSA-N 267.741 3.643 30 20 CHED CC1(C(=O)N2CCC(CCC#N)CC2)CCCCCC1 335500290 CSMOANNZJQXXFZ-UHFFFAOYSA-N 276.424 3.889 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](C)c2cccc(O)c21 336089481 YLSKDINDHONFLD-CYBMUJFWSA-N 296.370 3.534 30 20 CHED N#Cc1cc(NC(=O)C2=CCCC2)ccc1OC(F)(F)F 337771060 IEKFJJIDBRJUQQ-UHFFFAOYSA-N 296.248 3.506 30 20 CHED C=C[C@H](C)NC(=O)c1cc(-c2ccccn2)ccc1Cl 339019069 QCDIEYUFYVXCFW-NSHDSACASA-N 286.762 3.706 30 20 CHED C[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 340720184 IBTXCJFIEPEQTO-WDEREUQCSA-N 286.400 3.649 30 20 CHED C=CCC(C)(C)c1noc(-c2cc3ccccc3nc2O)n1 340777811 QCCZHRXSAQUVAI-UHFFFAOYSA-N 295.342 3.844 30 20 CHED CC(C)CN(CCCSCC#N)Cc1ccccc1 342164570 FMEJSTQODDGNFV-UHFFFAOYSA-N 276.449 3.791 30 20 CHED CC(C)(CCC#N)CNC/C=C/c1ccccc1[N+](=O)[O-] 342271518 CVZVOTZDSRINBR-VMPITWQZSA-N 287.363 3.528 30 20 CHED C=CCCOCCCCC(=O)NCc1ccc(F)c(C)c1 342617113 PLFMFLXNRMCQHA-UHFFFAOYSA-N 293.382 3.513 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H]2C2CCC2)c1C#N 343435649 KJPWMAFRCDUSOF-AWEZNQCLSA-N 275.783 3.684 30 20 CHED C=CC[C@@H](CC)N[C@@H](CC)c1ccc2c(c1)OCCO2 343517140 XZNFCFBTUQJDIN-CABCVRRESA-N 275.392 3.853 30 20 CHED C=CCC(CC=C)C(=O)NCC1(c2ccncc2)CCCC1 345559187 CKAJHWXBHQFKQC-UHFFFAOYSA-N 298.430 3.778 30 20 CHED CC(=O)c1ccc(C#N)c(NCCCSCC(C)C)c1 347449367 OYWNLGBMMBMMBZ-UHFFFAOYSA-N 290.432 3.952 30 20 CHED Cc1c([C@@H](C)NCC(C)(C)CCC#N)cnn1C(C)C 348211216 DRZOEGRVJYTUMB-CYBMUJFWSA-N 276.428 3.753 30 20 CHED C=CCn1c(C)nnc1N(Cc1ccccc1)CC1CCC1 350752243 MTKBYFKLLAUOFT-UHFFFAOYSA-N 296.418 3.579 30 20 CHED CCc1cc(NC(=O)NCC(C)(C)CCC#N)ccc1F 352111648 YUCZOGLQDSNBIR-UHFFFAOYSA-N 291.370 3.840 30 20 CHED C=CCN(CCc1ccco1)C(=O)c1ccc2[nH]ccc2c1 352579577 DMOVFNYUZRZMRR-UHFFFAOYSA-N 294.354 3.632 30 20 CHED N#CC[C@H](CC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 355606627 LQQBWTOALZNYEI-QZTJIDSGSA-N 296.414 3.865 30 20 CHED CC(C)CN(C(=O)C[C@@H]1C[C@H]1C)c1ccc(C#N)cc1 357944729 ILMIVRZYTVXMPQ-HIFRSBDPSA-N 270.376 3.593 30 20 CHED Cc1cc(C)c(NCCOc2cccc(C#N)c2)c(C)c1 360348904 LOVVHNVOAWZJBP-UHFFFAOYSA-N 280.371 3.974 30 20 CHED C=CCSc1ccccc1C(=O)NCc1ncccc1C 362388905 KQHJOTIDPTZCAS-UHFFFAOYSA-N 298.411 3.598 30 20 CHED C=CCN(CC=C)C(=O)C1CC(c2cccc(F)c2)C1 368850109 HUNFIPSORAOQNA-UHFFFAOYSA-N 273.351 3.520 30 20 CHED CCCCCCCNCc1cnn(Cc2ccccc2)c1 390130988 JWKATMVJTFBSBK-UHFFFAOYSA-N 285.435 3.991 30 20 CHED N#CC[C@@H]1CCCN(Cc2cccc(F)c2Cl)C1 397751275 PLLNMEOWLOALKC-NSHDSACASA-N 266.747 3.605 30 20 CHED CCCCCCCCCN1CCC(F)(F)[C@H](CO)C1 404049389 QSZVOZDFKFCHBC-AWEZNQCLSA-N 277.399 3.687 30 20 CHED C=CC[C@H](CC)NC(=O)CCc1ccc(CC)cc1 410134053 FVNRTDLYDHWCTJ-INIZCTEOSA-N 259.393 3.653 30 20 CHED C=C[C@@H](CC(=O)NC(C)(C)COC(C)C)c1ccccc1 414004022 ZNQLYSFHSAVWTF-HNNXBMFYSA-N 289.419 3.666 30 20 CHED C=CCOc1cccc(CN[C@@H]2COCc3ccccc32)c1 418093933 CXVCLUSANKWHCN-LJQANCHMSA-N 295.382 3.613 30 20 CHED COC1(CCSCc2ccc(CC#N)cc2)CCC1 419527877 WCACCMIAJBMTNP-UHFFFAOYSA-N 275.417 3.945 30 20 CHED CCCCn1ncc(NCc2ccc(C#N)c(F)c2)c1C 421338006 CYMDTCAJBMURFS-UHFFFAOYSA-N 286.354 3.615 30 20 CHED CC(C)CN(C(=O)[C@]12CCC[C@@H]1C2)c1ccc(C#N)cc1 421438107 QJPJRZUFIPFMBY-QAPCUYQASA-N 282.387 3.737 30 20 CHED C=C(C)COc1cccc(NC(=O)[C@@]23CCC[C@H]2C3)c1 421474345 WWALKBQZLFXSMG-SUMWQHHRSA-N 271.360 3.770 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H](c2ccccc2)C(F)(F)F)C1 424333439 UGODNNMSSAUCAN-UHTWSYAYSA-N 268.282 3.572 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2oc(CC)nc2c1 424592197 BBXUNLGQWAUASH-UHFFFAOYSA-N 272.348 3.931 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)Cc1cccs1 426026348 ZACVKXXJTFAPMK-ZIAGYGMSSA-N 292.448 3.677 30 20 CHED C=CCC[C@@H](N[C@@H]1CCN(c2ccccc2F)C1)C1CC1 426292139 DIDIWTAXYYLXLT-NVXWUHKLSA-N 288.410 3.739 30 20 CHED CSC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 429290158 RHZBWIWPDCFBGH-OAHLLOKOSA-N 293.863 3.767 30 20 CHED CC[C@@H](C)N(Cc1ccccc1)C(=O)NCC1(CC#N)CC1 431113095 ROVPNIUGGXAGBO-OAHLLOKOSA-N 299.418 3.691 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(Cl)cc1F 435739224 FPAVLTBKTWRPAW-DOMZBBRYSA-N 283.774 3.550 30 20 CHED CC[C@](C)(C#N)c1nc(-c2ccc(O)c3ccccc23)no1 436618688 OPCVQXSIZBRGTN-QGZVFWFLSA-N 293.326 3.787 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccccc2O)CCCC1(C)C 436815583 LQQUALQXHJQUCB-HNNXBMFYSA-N 273.376 3.599 30 20 CHED CC[C@H]1CCCCN1c1ccc(C(F)(F)F)c(C#N)n1 443408518 KXSRNXOCPMBGOK-JTQLQIEISA-N 283.297 3.741 30 20 CHED Cc1cc(CNCCSc2ccccc2)ccc1C#N 443980617 DAHKOCJPUHMORQ-UHFFFAOYSA-N 282.412 3.749 30 20 CHED C=CC[C@H]1N(CC[C@@H]2CCCN2C)CCCC1(C)C 444794102 UPWHZIXQQZQPMY-JKSUJKDBSA-N 264.457 3.537 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2cc(C)oc2C)CC1 447530026 MZISVXXUAADXMZ-AWEZNQCLSA-N 276.424 3.588 30 20 CHED C=CCCCC[C@@H](C)NCc1ccnc(N2CCCC2)c1 449329454 OJPBNPGDKDKCRL-MRXNPFEDSA-N 287.451 3.906 30 20 CHED CCN(CC1(C#N)CCC1)[C@@H](C)Cc1ccc(OC)cc1 450394689 PZRYRSSFPNHVES-HNNXBMFYSA-N 286.419 3.642 30 20 CHED C=CCCc1noc([C@@H](C)Cc2ccc(C)cc2)n1 453237973 PSUUBNCOLHBGIX-ZDUSSCGKSA-N 256.349 3.843 30 20 CHED C=CCCCN(C)C(=O)Nc1ccc(CC#N)cc1Cl 455707450 RKEAALACAGMZBJ-UHFFFAOYSA-N 291.782 3.836 30 20 CHED C=CCN(C(=O)Nc1ccc(C(=O)C(C)C)cc1)C1CC1 455790870 HCHWQZWCUZKTJG-UHFFFAOYSA-N 286.375 3.708 30 20 CHED C=CCN(CCc1ccco1)C(=O)C1=CC[C@H](C)CC1 455988430 DVTYRZKGGBQWCV-AWEZNQCLSA-N 273.376 3.583 30 20 CHED C=CCC1(CNC(=O)CCc2ccsc2)CCCC1 456489395 UGNLJIJWAVABNW-UHFFFAOYSA-N 277.433 3.933 30 20 CHED C=CCC1(NC(=O)NCC2CC(F)(F)C2)CCCCC1 458818310 REGDXWCBAZHFGL-UHFFFAOYSA-N 286.366 3.610 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCC(C)(C)CC#N 459251244 AXBRCJQJZMAVSH-UHFFFAOYSA-N 291.439 3.704 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C 462218633 ILNBTXYSSHTAHO-WWGRRREGSA-N 272.392 3.574 30 20 CHED CC#CCCOc1ccc(-c2csc(C)n2)cc1 462356844 GCUYXMFCNMSODV-UHFFFAOYSA-N 257.358 3.911 30 20 CHED Cc1ccccc1C1(C(=O)N[C@@H](C#N)C(C)C)CCCCC1 464300473 ZVPKCOGUCJNNGW-KRWDZBQOSA-N 298.430 3.861 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 464750262 LTEWXGGFSLJOQZ-BLLLJJGKSA-N 290.382 3.931 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OCC)cc1C 466405756 QJJAVNJRFSBQNK-CYBMUJFWSA-N 276.380 3.870 30 20 CHED N#Cc1cccc(CCN[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 466426916 UFVKPILYFPIMLW-CABCVRRESA-N 296.336 3.811 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@@H]1CC[C@H](C)C1 468752045 ACJVLEPVEIGRDZ-LSDHHAIUSA-N 287.403 3.694 30 20 CHED C=C[C@](C)(O)CC(=O)Nc1ccccc1Cc1ccccc1 469443635 ZPOHHLOWCQNKNW-IBGZPJMESA-N 295.382 3.543 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H]1CCCN1c1ccccc1 469752332 MJQDVROHSVWIQG-DOTOQJQBSA-N 286.419 3.516 30 20 CHED C=CCC[C@H](O)CN(CCC)[C@@H]1CCc2ccccc21 472760664 ZGNSONZYTTXZOH-FUHWJXTLSA-N 273.420 3.713 30 20 CHED C=C[C@](C)(CCOC)C(=O)NCC[C@@H]1CCCC[C@@H]1C 473586501 BPMGUDUOJLWTTP-YQQAZPJKSA-N 281.440 3.548 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CC12CCCC2 475736638 AVJMHDQCLYJZHU-ZDUSSCGKSA-N 262.397 3.545 30 20 CHED N#Cc1cccc(OCCCNc2cccc(F)c2F)c1 477601320 WQTKGWBUTWTKAK-UHFFFAOYSA-N 288.297 3.717 30 20 CHED C=CCCCC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 478264300 ULKRSUARUVYKQW-GOEBONIOSA-N 275.367 3.934 30 20 CHED C=C(C)CN(C)Cc1ccccc1CN(C)CC(=C)C 481266728 DWSJDBYVIXJBAJ-UHFFFAOYSA-N 272.436 3.702 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C2CC2)c(C)c1 481907085 HJQRZBHVCJCPSX-UHFFFAOYSA-N 258.365 3.912 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 484224149 OTOXZPCNDXYWGB-UONOGXRCSA-N 266.429 3.809 30 20 CHED Cc1ccc2[nH]cc(C#N)c(=NC[C@H]3CCCCS3)c2c1 488133096 YPTBCPJVYQXHIW-CQSZACIVSA-N 297.427 3.534 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1OCC 488824730 XZZGCCJTVSHEHC-CYBMUJFWSA-N 293.794 3.919 30 20 CHED C#CCN(C)C(=O)N[C@@H](c1cccs1)C(CC)CC 491800710 AQLYFNQUMIKSPY-CQSZACIVSA-N 278.421 3.500 30 20 CHED CC#CCCNC(=O)Nc1ccccc1OC1CCCC1 497662603 OYFYIDMVMODZDN-UHFFFAOYSA-N 286.375 3.543 30 20 CHED C=C(CNC(=O)N[C@H]1CCCC(F)(F)C1)c1ccccc1 500152386 XSGBDJIHVAQDHO-AWEZNQCLSA-N 294.345 3.577 30 20 CHED C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1 507246379 IPTOMYUQVWTNQX-CHWSQXEVSA-N 290.370 3.846 30 20 CHED C=C(C)CCN1CC[C@@H](OCCCc2ccccc2)C1 509392048 GIMDWPIIBKGIPM-GOSISDBHSA-N 273.420 3.676 30 20 CHED N#Cc1ccc(SCc2ccc([N+](=O)[O-])cc2)cc1 509647664 BLFFBHSWDQYFAP-UHFFFAOYSA-N 270.313 3.759 30 20 CHED C[C@H](CC(=O)NCc1cccc(C#N)c1)C1CCCCC1 510774416 ROVURAFOKPNIKF-CQSZACIVSA-N 284.403 3.781 30 20 CHED Cc1nc(C2CC2)ccc1C(=O)Nc1cccc(C#N)c1C 515506994 OQQAYQSZJUJCBO-UHFFFAOYSA-N 291.354 3.700 30 20 CHED CC[C@H](CC#N)NCc1cc(-c2ccccc2Cl)on1 517244077 BOKQHXWSBZRPFY-LLVKDONJSA-N 289.766 3.777 30 20 CHED C=CCOc1cccc(NC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c1 519812129 RZLIZWSIRULDIP-KCXAZCMYSA-N 286.375 3.562 30 20 CHED CCc1cc(C(=O)Nc2ccccc2CC#N)sc1C 521309458 NRXZOLTZDLBPMY-UHFFFAOYSA-N 284.384 3.937 30 20 CHED C=CCOc1cccc(CNCC2(C)CCCC2)c1 521842542 KCAPRJVNWARATM-UHFFFAOYSA-N 259.393 3.921 30 20 CHED CCC(C)(C)C1CCC(NC(=O)c2ccc(C#N)cn2)CC1 522677024 OIPFWFUXINHFEO-UHFFFAOYSA-N 299.418 3.678 30 20 CHED Cc1ccc2cc(CN(CCC#N)C(C)C)ccc2n1 527356483 MZVJNWLCSCETAP-UHFFFAOYSA-N 267.376 3.667 30 20 CHED Cc1cccc2cc(C(=O)N[C@@](C)(C#N)CC(C)C)oc12 535324142 CVUIGGXEJBLOCO-QGZVFWFLSA-N 284.359 3.799 30 20 CHED CC(C)(C)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 538728635 MRVLXQHIZVVEBE-HOTGVXAUSA-N 256.393 3.804 30 20 CHED N#CC1(CNC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 539493867 SGHMAEVBACSBPX-UHFFFAOYSA-N 294.320 3.978 30 20 CHED N#CCc1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 544921426 ZJZXRRXAUFLTJB-UHFFFAOYSA-N 279.274 3.609 30 20 CHED C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1(C)C 546109961 VOPZOMVMJVHENT-UONOGXRCSA-N 299.418 3.697 30 20 CHED CC#CCCNC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 546835464 ZKYZFWLKFHXMOC-UHFFFAOYSA-N 299.414 3.514 30 20 CHED C[C@@H](C#N)CNCc1cnc(-c2ccc(Cl)cc2)s1 551804268 REEIOLDYXCPZBW-JTQLQIEISA-N 291.807 3.713 30 20 CHED Cc1ccsc1-c1noc(-c2ccc(CC#N)cc2)n1 555017755 XCKNSAIKDFTJHM-UHFFFAOYSA-N 281.340 3.840 30 20 CHED C=CCC(C)(C)c1noc(/C=C\c2ccc(C)cn2)n1 556346986 DQXUBHFCYSJXNE-HJWRWDBZSA-N 269.348 3.797 30 20 CHED N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H]1C1CCC1 567094721 XAPUGEGIQDKTNA-QZTJIDSGSA-N 296.414 3.550 30 20 CHED N#Cc1cncc(N[C@@H](c2ccccc2F)C2CCCC2)n1 570269961 VBFCIJMVZALJMY-QGZVFWFLSA-N 296.349 3.831 30 20 CHED C=CCCCCSc1nnc(Cc2csc(C)n2)o1 573535525 JLBDXOUXMVWRJN-UHFFFAOYSA-N 295.433 3.874 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2ccoc2CC)cc1 576118613 SZVVPTSFIRWZBI-INIZCTEOSA-N 296.370 3.741 30 20 CHED CSC[C@](C)(C#N)NC(=O)C[C@@H](C)CCC=C(C)C 582666874 BDUWPSJTIIFNPV-ZFWWWQNUSA-N 282.453 3.520 30 20 CHED O=C1/C(=C/c2cccnc2Cl)Oc2cc(F)cc(F)c21 588450332 ZQDKIAQFIICNNX-WCIBSUBMSA-N 293.656 3.629 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1c[nH]c2ccccc12 588523996 QAVFEHCSIJGSFU-ALCCZGGFSA-N 266.275 3.598 30 20 CHED CC(C)N(C(=O)CCCCCC#N)C1CCCC1 588848472 QXVGRSHGTAPHON-UHFFFAOYSA-N 250.386 3.640 30 20 CHED CCN(Cc1ccc(C#N)cc1C)[C@H]1CCOC(C)(C)C1 589274684 PGDJWPWQNGMZEJ-KRWDZBQOSA-N 286.419 3.646 30 20 CHED CC[C@H](CC(C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1 590672866 DRXQPUIHXBWLLM-DZGCQCFKSA-N 272.392 3.808 30 20 CHED CC(C)C(C)(C)CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 594010852 RAWSJSMKJVFVCR-AWEZNQCLSA-N 286.419 3.535 30 20 CHED CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C#N)CC)c1ccccc1 594098327 ULTTVYGXWZTMCP-CWRNSKLLSA-N 272.392 3.577 30 20 CHED N#CC1(Cc2nc(C3CCCC3)no2)CCCCC1 594731176 BAXIPNBDPCDZSQ-UHFFFAOYSA-N 259.353 3.744 30 20 CHED C=CCCSCCNCc1ccc(F)c2cccnc12 594960353 OSDDEANSFSNWAZ-UHFFFAOYSA-N 290.407 3.773 30 20 CHED Cc1ccc(CCNCc2cccc(C#N)c2)cc1C 594973687 PJWUKGVUDPSTLO-UHFFFAOYSA-N 264.372 3.507 30 20 CHED CC[C@H](NC[C@@H](OC)C1CCCC1)c1ccc(C#N)cc1 595093472 BFLBILBVSZBIBB-ZWKOTPCHSA-N 286.419 3.804 30 20 CHED CN(C[C@H]1CC1(C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 595567960 TUMABMWYELPYOI-CVEARBPZSA-N 299.418 3.719 30 20 CHED CC(C)Oc1cc(F)ccc1OCC1(CC#N)CC1 596279942 SVPJMAXXUCFKOL-UHFFFAOYSA-N 263.312 3.686 30 20 CHED C=CCCSCCNC(=O)c1ccc(C2CC2)cc1 597975798 KMQHWWVIYBKZOI-UHFFFAOYSA-N 275.417 3.603 30 20 CHED CC[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)C1CC1 598235531 XRASMWQSXBTCGE-GFCCVEGCSA-N 297.185 3.783 30 20 CHED C[C@@H](N[C@H]1CCCc2scnc21)c1ccc(C#N)cc1 599025076 YWNMNJIROQVXDW-RISCZKNCSA-N 283.400 3.743 30 20 CHED CC[C@@H](CCc1ccccc1)NCC(C)(C)CC#N 599049650 QSJKZHYEFZQJAF-INIZCTEOSA-N 258.409 3.927 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H](C)c1cccc(C)c1 599555770 VTQDHHPUKMWOLE-CQSZACIVSA-N 272.392 3.545 30 20 CHED CO[C@@H](c1ccccc1)[C@@H](C)Nc1ccc(CC#N)cc1 602613783 QAPBSMWZUNPADD-RDTXWAMCSA-N 280.371 3.941 30 20 CHED N#Cc1cc(F)c(N2CCCc3sccc3C2)c(F)c1 609333712 DMPHRTDEONIWFJ-UHFFFAOYSA-N 290.338 3.851 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H](C)c1cccc(Cl)c1 610239617 SEXQRWDQJLBZQK-LBPRGKRZSA-N 278.783 3.594 30 20 CHED C[C@]1(C#N)CCCN([C@@H]2CCc3c(Cl)cccc32)C1 612163116 OBTXORJSERBLSF-HZPDHXFCSA-N 274.795 3.953 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@](C)(C#N)C2)CC(C)(C)C1 612242366 NPOGSCSPPSKTDB-VKJFTORMSA-N 290.451 3.991 30 20 CHED Cc1cccc([C@H](C)NC(=O)N2CCC[C@](C)(C#N)C2)c1C 612372266 NIKZPNJYQSKEDD-MAUKXSAKSA-N 299.418 3.700 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)c1cccc(C#N)c1 614407775 ZEMCMDPZFQYHFM-CQSZACIVSA-N 275.355 3.589 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncnc2sccc12 618622444 TXDIYWFZMPBLKW-AWEZNQCLSA-N 292.367 3.662 30 20 CHED C=CCCOCC(=O)N(Cc1cccc(C)c1)CC(C)C 620327921 GOXFFWPZSGHKPL-UHFFFAOYSA-N 289.419 3.572 30 20 CHED C=CCCN(C)C(=O)Nc1ccccc1N(C)CCC 627103850 WUORAOPOBRMHER-UHFFFAOYSA-N 275.396 3.573 30 20 CHED C=CCC(C)(C)c1noc(-c2cncc(OC(C)C)c2)n1 645628950 BOUJQVMTMGTNGL-UHFFFAOYSA-N 287.363 3.773 30 20 CHED C=CCC[C@H](CC)NCCc1cn2c(C)cccc2n1 647364857 PGHLAZIPLZUFBN-HNNXBMFYSA-N 271.408 3.520 30 20 CHED C=CCC1(NCc2scnc2C2CC2)CCCC1 657703294 WGLJEFWKBSLPOP-UHFFFAOYSA-N 262.422 3.999 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2ccc(C3CC3)cc2)n1 659010684 WLLQNGCBCUGOIB-AWEZNQCLSA-N 282.368 3.819 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccn2)C1 667049063 RLLKSELZLQBMQF-LLVKDONJSA-N 279.771 3.555 30 20 CHED FCCCCCN1C[C@@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 671241612 XFAZHNIBRBFZHT-DTORHVGOSA-N 295.242 3.799 30 20 CHED C=C(C)CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 681674142 ATHHBWSKRICIPS-UHFFFAOYSA-N 285.318 3.924 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(CCC)[nH]n1 684333139 MTKRXUMDXASMRK-UHFFFAOYSA-N 297.402 3.581 30 20 CHED C=CCCOCC(=O)Nc1cc(-c2cccnc2)ccc1C 684507511 PYKSLTGJSDJAIA-UHFFFAOYSA-N 296.370 3.588 30 20 CHED CCCC[C@@H]1CCCC1=NNc1cnnc(O)c1Cl 727255072 CDLRVVFNJWGZBC-SECBINFHSA-N 282.775 3.594 30 20 CHED CCn1c(C)cc(C=NNc2ccc(F)cc2F)c1C 728225004 FOIHXPQTPLBRPR-UHFFFAOYSA-N 277.318 3.849 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(O)c(C)c2)c1 728231987 PLWZTDHHECVLIB-SOFGYWHQSA-N 252.313 3.905 30 20 CHED C#Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)cn1 728817198 HDNNELSMKLCWPD-YOEHRIQHSA-N 298.430 3.645 30 20 CHED CCOc1cccc(/C=N\CC2(C)CCCC2)c1O 731155553 KKZYEPPVNLUHAZ-BOPFTXTBSA-N 261.365 3.790 30 20 CHED CCCNC(=S)Nc1ccccc1S[C@@H](C)CC#N 731318845 DRGPOPNFAHMEQH-NSHDSACASA-N 293.461 3.777 30 20 CHED COc1cccc(/C=N/C[C@@H]2CCc3ccccc32)c1O 731938865 WTJIZVBZLJMYOY-BXUJETTOSA-N 281.355 3.550 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc(C#Cc2ccccc2)cc1 733707929 DAPDWVKTUFUHMV-OAHLLOKOSA-N 289.334 3.545 30 20 CHED C=C(Cl)CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 736400278 NFXFXMQZCPYVOL-CQSZACIVSA-N 296.773 3.719 30 20 CHED CC[C@@H](OC(=O)c1cccc(C#N)c1)c1cccc(OC)c1 741133017 IXKVQZZKSHAEHE-QGZVFWFLSA-N 295.338 3.875 30 20 CHED COCC(=NNc1cccc2ccccc12)C(C)C 741459602 DQFJBKYKRNYOOB-UHFFFAOYSA-N 256.349 3.910 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCc2cc(C#N)ccc2F)o1 742383597 RABDZJNRLQODKY-XHDPSFHLSA-N 284.334 3.704 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1scnc1C)C2=O 742433320 WAVKHDBTILEFAT-GHXNOFRVSA-N 255.342 3.582 30 20 CHED CCC(=NNCc1ccccc1)c1cc(F)ccc1F 743427856 COMLTQWCCNKWLZ-UHFFFAOYSA-N 274.314 3.869 30 20 CHED C=CCCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1C 744049798 YCEUQYUXNUAHGM-UHFFFAOYSA-N 290.750 3.567 30 20 CHED CC#CCOC(=O)c1sccc1-c1ccccc1 744451326 CXNNOFKWXNPUFA-UHFFFAOYSA-N 256.326 3.595 30 20 CHED Brc1cccc(NN=Cc2ccsc2)c1 745988482 XYCDBVGCYUGPHE-UHFFFAOYSA-N 281.178 3.957 30 20 CHED Cc1nc(C=NNc2ccc(C(F)(F)F)cc2)cs1 746575375 BYQZCBUPKZUNJJ-UHFFFAOYSA-N 285.294 3.916 30 20 CHED O=[N+]([O-])c1ccc2[nH]cc(C=NNc3cccc(F)c3)c2c1 747753817 NFASYXHXAKMORK-UHFFFAOYSA-N 298.277 3.661 30 20 CHED Cc1ccc(N2CCN(CCCCC#N)[C@@H](C)C2)cc1C 747967121 DIHXQWTVUTUJPY-KRWDZBQOSA-N 285.435 3.508 30 20 CHED C=CCCCC(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1C 748233903 LJLVUTDKSVYANK-AWEZNQCLSA-N 289.375 3.530 30 20 CHED C=CCCCC(=O)Nc1ccc(N2CCCCC2)cc1 748282608 IHFGXMJQSSIJOM-UHFFFAOYSA-N 272.392 3.972 30 20 CHED N#Cc1cc2ccccc2nc1N1CC[C@@H](c2ccco2)C1 750028920 AWEBLGXPSZSVKU-CQSZACIVSA-N 289.338 3.693 30 20 CHED C#C[C@@H](CC)NC(=O)N(CCCC)[C@@H](C)c1ccccc1 753247751 OBBXRXHODGOONH-RDJZCZTQSA-N 286.419 3.971 30 20 CHED N#Cc1cccc(NN=Cc2cc(Cl)ccc2F)c1 753694567 HGAFILSGYXVCMS-UHFFFAOYSA-N 273.698 3.797 30 20 CHED Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)O[C@H](C#N)C1CC1 753991380 OOLUVAILGHIQDG-IVMMDQJWSA-N 283.371 3.821 30 20 CHED CC[C@@H](C)C=NNc1ncnc2sc(C)c(C)c12 755520351 CQRZAPHJCOEWNI-MRVPVSSYSA-N 262.382 3.752 30 20 CHED Clc1cccnc1NN=Cc1cccc2[nH]ccc12 755655353 QGUXTNBHWBEUMF-UHFFFAOYSA-N 270.723 3.662 30 20 CHED C=C(CN[C@@H](C)c1cc(F)ccc1O)c1ccccc1 756483418 NJSDHNKEURDNKW-ZDUSSCGKSA-N 271.335 3.895 30 20 CHED C#CCCCC(=O)NC1CCC(C(C)(C)CC)CC1 757794877 YUKHJBWFIGQYRL-UHFFFAOYSA-N 263.425 3.901 30 20 CHED Clc1ccc(NN=Cc2nc(Cl)cs2)cc1 758088846 FSSGUVYASBEGMT-UHFFFAOYSA-N 272.160 3.896 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(N3CCCC3)nc2)c1 758369761 AMSWJQRMHCSYHG-UHFFFAOYSA-N 294.402 3.745 30 20 CHED C#CC[C@@H](Nc1noc(C(C)(C)C)n1)c1ccccc1 758903957 LICJTSSDGOBOAD-CYBMUJFWSA-N 269.348 3.544 30 20 CHED Fc1ccc(NN=Cc2cnc(C3CCC3)s2)cc1 760224456 BCFFCMSVEDWEST-UHFFFAOYSA-N 275.352 3.996 30 20 CHED C=CCCC(=O)COC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 761431937 VQVBUULGULRWHA-QLFBSQMISA-N 278.392 3.671 30 20 CHED CC#CC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 763922161 CNGOMIOCUXFGRM-UHFFFAOYSA-N 265.312 3.749 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)/C=C\c1ccc2[nH]ccc2c1 765629765 FBTNBPZDBQKACJ-ZQMJAJRESA-N 282.343 3.663 30 20 CHED O=[N+]([O-])c1ccc(C=NOCC2CCCCCC2)o1 766398151 PENZMZBNYVFQLJ-UHFFFAOYSA-N 266.297 3.509 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1ccc([N+](=O)[O-])cn1 766696349 RAWDQTVEUVMNBJ-LLVKDONJSA-N 296.330 3.622 30 20 CHED CC#CCCCC(=O)OCc1cccc(OC(F)F)c1 767103913 WBVXPDKHTZFEFO-UHFFFAOYSA-N 282.286 3.525 30 20 CHED CC(=NNc1nc(C(F)(F)F)cs1)c1occc1C 767789542 YRHZTFYTSAEVSL-UHFFFAOYSA-N 289.282 3.899 30 20 CHED C#CCCOc1ccc(CN(C)[C@H](C)C(C)C)cc1 768269989 UETJCEUKFCHXOB-OAHLLOKOSA-N 259.393 3.565 30 20 CHED C=CCC1(C(=O)OCc2ccc(C(F)(F)F)cn2)CCC1 768890344 BQSYFAIHBHIJBC-UHFFFAOYSA-N 299.292 3.890 30 20 CHED COc1ccsc1C(=O)/C=C1\COc2ccc(F)cc21 769744772 QMRJKDMDFCXREZ-RMKNXTFCSA-N 290.315 3.555 30 20 CHED CCC(=O)c1cccc(N=Cc2c(O)cccc2OC)c1 771099373 RBPXWRNQLRHIBD-UHFFFAOYSA-N 283.327 3.744 30 20 CHED CCCCCCCCNC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 772025849 ABWVESOZPAXKBA-JKSUJKDBSA-N 298.471 3.850 30 20 CHED C#CCOc1ccccc1CN[C@@H]1CCc2ccc(C)cc21 772989635 XPRPRUKXEOMGEM-LJQANCHMSA-N 291.394 3.784 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1cnn(C(C)(C)C)c1 773124892 IDBCYQIKSJRLPL-AWEZNQCLSA-N 276.428 3.530 30 20 CHED Cc1ccc(C)n1-c1ccc(C(=O)OCC2(C#N)CC2)cc1 775832666 DZICKBQQMDIPAZ-UHFFFAOYSA-N 294.354 3.555 30 20 CHED C#Cc1cccc(N(C(=O)[C@@H]2CC[C@H](C)C2)C(C)C)c1 776318682 AEKSFMJSXORDOS-GOEBONIOSA-N 269.388 3.846 30 20 CHED N#C[C@@H](OC(=O)CCc1ccccc1F)C1CCCCC1 776362716 RKXNLZNXMUGXOA-MRXNPFEDSA-N 289.350 3.774 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)cc1F 776725574 CQBQGTKDZQWAMW-KTAJNNJTSA-N 293.297 3.528 30 20 CHED C=CC[C@@H](C(=O)N[C@H](C)CCSC)c1ccccc1 777680186 IPZMJAGWJYJAQA-UKRRQHHQSA-N 277.433 3.604 30 20 CHED C#CCCCCCC(=O)N[C@@](C)(C#N)C1CCCCC1 779994663 UPHAZHQLXJSWPE-KRWDZBQOSA-N 274.408 3.549 30 20 CHED Fc1cc(NN=C2CC[C@@H]3CCCC[C@H]3C2)ccn1 781134219 WYOJSKOYQRVZGI-RYUDHWBXSA-N 261.344 3.979 30 20 CHED CC(C)CCn1cccc1C=NN1Cc2ccccc2C1=O 781597623 NUBWXINWZBUIGU-UHFFFAOYSA-N 295.386 3.524 30 20 CHED CCc1ccccc1CON=Cc1ccccc1F 783553741 WQHMGVBJJIPYNW-UHFFFAOYSA-N 257.308 3.939 30 20 CHED Cc1c(Cl)cnc(NC[C@H]2CC2(Cl)Cl)c1C#N 784140602 UZTGTOOTSXTGED-SSDOTTSWSA-N 290.581 3.521 30 20 CHED C#CCCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784484044 CLJVRZBOMAZVGS-CQSZACIVSA-N 281.321 3.908 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(C#N)c(C)c1 784615267 VHZBCWZLAAHGBQ-YPMHNXCESA-N 259.349 3.592 30 20 CHED CNc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1 784699426 VELDNPVPUUBFDN-LBPRGKRZSA-N 280.327 3.518 30 20 CHED C#Cc1ccc(C(=O)OCCCc2ccccc2Cl)cn1 785306649 BNUXFGZJUXZUSF-UHFFFAOYSA-N 299.757 3.506 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(Cl)c2F)cc1 786271602 XCRJXYNHAFFYCX-UHFFFAOYSA-N 289.693 3.708 30 20 CHED Cc1c(C(=O)/C=C\c2ccc(Cl)nc2)cnn1C(C)C 787185865 CNNTZHSLLIILBU-XQRVVYSFSA-N 289.766 3.717 30 20 CHED CCCCCCCCC[C@H](C)CC(=O)N1CC[C@H](O)C1 787410050 IEXWDQZSIQUNOP-HOTGVXAUSA-N 283.456 3.747 30 20 CHED CCCC[C@@H](CC)C(=O)NOCc1ccc(C#N)cc1C 788053564 LOAFWFLQHFTCES-OAHLLOKOSA-N 288.391 3.631 30 20 CHED CC[C@@H](C)NN=Cc1ccc(Br)cc1Cl 790183884 WSIUYXBLNJXJBH-MRVPVSSYSA-N 289.604 3.825 30 20 CHED C[C@@]1(C=NNc2nc(C(F)(F)F)cs2)CCCS1 793027788 SECUUAIVKSFUMH-VIFPVBQESA-N 295.355 3.845 30 20 CHED C[C@@H](NN=Cc1cnc(C(C)(C)C)s1)C(C)(C)C 793111817 MBCVFBQPNHSECI-SNVBAGLBSA-N 267.442 3.799 30 20 CHED COc1ccsc1C(C)=NNc1cccc(Cl)n1 793173841 FKWAMRBTJZYWNP-UHFFFAOYSA-N 281.768 3.641 30 20 CHED COc1ccccc1CON=C1CCC[C@H]1CCF 794936628 BVLCQMBVNMMQML-LBPRGKRZSA-N 265.328 3.728 30 20 CHED Cc1cc(/C=C2\CCc3ccc(O)cc3C2=O)cc(C)c1O 794959960 GZANPRGVIKLTMA-OQLLNIDSSA-N 294.350 3.927 30 20 CHED C=CCNN=C(C)c1ccc(SC(F)F)cc1 794993161 RFABXIOKATWKPF-UHFFFAOYSA-N 256.321 3.501 30 20 CHED C=CCNN=Cc1ccc(F)c(-c2cccs2)c1 794998298 HXINBDODPZJBOX-UHFFFAOYSA-N 260.337 3.664 30 20 CHED Fc1cccc(NN=C2CCC[C@H](C(F)(F)F)C2)n1 795008355 GAKLTLGHTBCJEL-QMMMGPOBSA-N 275.249 3.741 30 20 CHED COc1ccc(O)c(/C=N/[C@H]2C[C@H](c3cccc(F)c3)C2)c1 797784591 AQVZEHGEFRISCY-WBFZOWASSA-N 299.345 3.905 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C)c(C#N)c1 799344007 QGUINRYYXLFYEK-PBHICJAKSA-N 284.403 3.908 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1nc(Cl)c(C#N)s1)CO2 804554662 FDICLNSQRRJPGZ-SECBINFHSA-N 291.763 3.522 30 20 CHED Cc1ccc(C(=O)COC(=O)CCCCCC#N)cc1C 805697241 RTCNNYKDMZGSGN-UHFFFAOYSA-N 287.359 3.503 30 20 CHED C#C[C@H](NC(=O)c1sc2cc(F)ccc2c1C)C(C)C 807466818 GFVGZHDVIFIARG-ZDUSSCGKSA-N 289.375 3.736 30 20 CHED C#C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(C)(C)C 807882755 ZHDQFDLTJIOACR-CQSZACIVSA-N 288.778 3.599 30 20 CHED Cc1ccc(C(=O)Nc2ncsc2C(C)C)cc1C#N 809392924 LKCORFZROQHDFI-UHFFFAOYSA-N 285.372 3.699 30 20 CHED C#Cc1ccc(CNCc2ccccc2C(F)(F)F)cc1 809610914 JQRMFRGNVDBGCU-UHFFFAOYSA-N 289.300 3.977 30 20 CHED CC[C@H](CC#N)OC(=O)c1nc2ccccc2cc1Cl 810710462 MNVICYPDMYUVDB-LLVKDONJSA-N 288.734 3.737 30 20 CHED C=CCCCCOC(=O)c1cnc(Cl)c(Cl)c1 811012439 LINNAAWUHNIRTI-UHFFFAOYSA-N 274.147 3.902 30 20 CHED C#C[C@H](NCCCc1ccc(C)nc1)c1ccc(Cl)cc1 811516372 MWOJSJNKPZLYID-SFHVURJKSA-N 298.817 3.940 30 20 CHED C#C[C@H](NCCCc1cnccc1C)c1ccc(Cl)cc1 811516587 QFWXCUISLGDUBU-SFHVURJKSA-N 298.817 3.940 30 20 CHED N#Cc1c(F)cccc1/C=C/C(=O)c1cccs1 811684786 CSVJRQRJNMONGQ-VOTSOKGWSA-N 257.289 3.655 30 20 CHED C#CC[C@@H](NC(=O)N(C)[C@@H](C)CCCC)c1ccccc1 812181233 JKUQABMKKQSKDH-DOTOQJQBSA-N 286.419 3.971 30 20 CHED C#CCON=Cc1c(Cl)ccc(Cl)c1Cl 812232987 LHZNKHYWCIZULB-UHFFFAOYSA-N 262.523 3.631 30 20 CHED C#CCON=C(C)c1sc(-c2ccc(C)cc2)nc1C 812233585 ZUGHPCCCPCCLED-UHFFFAOYSA-N 284.384 3.801 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1ccc(N(C)C)cc1 812242128 RDLMIIFJOWLCPW-UXBLZVDNSA-N 299.345 3.796 30 20 CHED CC(=NN[C@H](C)c1ccccc1)c1cccc(CN(C)C)c1 814815156 OTETZHKJHOWRQZ-OAHLLOKOSA-N 295.430 3.823 30 20 CHED C[C@H](C=NNc1nc(-c2ccncc2)no1)C1CCCCC1 814827238 ALLDPMUZIVTHHH-GFCCVEGCSA-N 299.378 3.746 30 20 CHED COC(=O)c1cccc(NN=C2CC(c3ccccc3)C2)c1 814900677 CSLRBJISAMEWHS-UHFFFAOYSA-N 294.354 3.819 30 20 CHED CCCCC/C(C=NNC[C@H](C)O)=C\c1ccccc1 814964620 AGIAQXFAHXRBKA-JAKJBOOWSA-N 274.408 3.607 30 20 CHED CCCCC/C(C=NNC[C@@H](C)O)=C\c1ccccc1 814964623 AGIAQXFAHXRBKA-XWPOIACJSA-N 274.408 3.607 30 20 CHED CCOc1ccc(NN=Cc2ccc(C#N)cc2F)cc1 814984865 KFGMMUFYWAVBAQ-UHFFFAOYSA-N 283.306 3.542 30 20 CHED COc1ccc(CN[C@H]2CCCC23CCCC3)cc1C#N 815597197 OYIRTGJLMWXFLJ-KRWDZBQOSA-N 284.403 3.769 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 815608208 UQPZJNKBZZCLCP-MRXNPFEDSA-N 293.357 3.778 30 20 CHED C=CC[C@H]1N(Cc2cnn(C)c2Cl)CCCC1(C)C 816593219 JYSPKZFYSZJOTR-CYBMUJFWSA-N 281.831 3.640 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)OC[C@H](C#N)Cc1cccs1 820447652 XDQAEXRGWTWZRH-IPYPFGDCSA-N 291.416 3.800 30 20 CHED CC[C@@H](CC#N)OC(=O)c1coc2c(C)cccc12 820767229 SRYBJADUHBNGBE-NSHDSACASA-N 257.289 3.590 30 20 CHED C[C@H](C[C@@H](O)c1ccco1)Nc1cccc(Cl)c1C#N 827752803 OFOOPEQXBUSXOT-QMTHXVAHSA-N 290.750 3.729 30 20 CHED CC(C)CCSCc1cccc(C(=O)O)c1C#N 833483574 CPRNWLFNXVXDRF-UHFFFAOYSA-N 263.362 3.536 30 20 CHED CC(C)c1ccc(C(=O)/C=C/c2cnc(N(C)C)nc2)cc1 834409413 VTNDJFPFAYJOFD-BJMVGYQFSA-N 295.386 3.562 30 20 CHED c1cc2sccc2c(NN=C2CCOC3(CCC3)C2)n1 834941607 IJIICHXKOQLNTN-UHFFFAOYSA-N 287.388 3.797 30 20 CHED C[C@H](NN=Cc1ccc(C(F)(F)F)cc1)C(F)(F)F 834996048 FRJZMBCETOCVCK-ZETCQYMHSA-N 284.203 3.580 30 20 CHED CC(C)C[C@@H](C)C=NNc1ccc(C(=O)O)c(F)c1 835008133 BUROYMHYSXANKC-SNVBAGLBSA-N 266.316 3.604 30 20 CHED CC(C)(C(=O)OC[C@@H](C#N)Cc1cccs1)C1CCC1 835260619 IZOTXGWZCUCXPC-GFCCVEGCSA-N 291.416 3.800 30 20 CHED C=C(Cl)CN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 839539531 VZAUESYYUIBMHW-LBPRGKRZSA-N 283.799 3.886 30 20 CHED CCCCCCCCC(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C 839848823 FFMDVAWHSDFEGR-KFWWJZLASA-N 269.429 3.667 30 20 CHED C1=C(CCON=C2CCC3(CC2)OCCO3)CCCC1 842021117 JEHHKPQAZABLQZ-UHFFFAOYSA-N 279.380 3.567 30 20 CHED C=C(C)CCNCc1cc(Br)cnc1Cl 842708952 RDSSRRISAXVXRI-UHFFFAOYSA-N 289.604 3.553 30 20 CHED Cc1c(NN=C2CCC[C@H]3C[C@@]23C)cccc1C(=O)O 844622617 HMKUYMWKWUANQA-MEDUHNTESA-N 272.348 3.671 30 20 CHED C=C[C@@H](C)ONC(=O)N[C@@H](C)c1csc2ccccc12 845636200 MLYJGKMOZHSCAB-MNOVXSKESA-N 290.388 3.768 30 20 CHED CCN(CCNc1ccc(C#N)cc1C)CCC(F)(F)F 846753050 ZVDBSXHKWSRAHH-UHFFFAOYSA-N 299.340 3.553 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C2CCC3(CC2)CC3)n1 850735942 FPXHDCWSFYUPFQ-LBPRGKRZSA-N 274.389 3.598 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)Cc1ccc(F)cc1 851209777 JYQVBOSANJIBQX-CHWSQXEVSA-N 291.366 3.876 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1csc(C2CC2)n1 851210396 QCEIDHQAEWQYSS-VIFPVBQESA-N 278.377 3.506 30 20 CHED Cc1ccccc1CCC(=O)O[C@H](C)CC(C)(C)C#N 851210875 VVHCOUPVJAQSIW-CQSZACIVSA-N 273.376 3.799 30 20 CHED N#Cc1cc(-c2ccncc2Cl)cc(N2CCCC2)c1 854178190 JHAASELRDLVTDD-UHFFFAOYSA-N 283.762 3.874 30 20 CHED C=CCC1(C(=O)OCc2cnc(C3CC3)o2)CCCC1 861377545 CVIKWGPNLUKUHD-UHFFFAOYSA-N 275.348 3.732 30 20 CHED CO[C@H](C(C)=NNc1cccc(C)n1)c1ccccc1 863160269 XDYYGKZNVDUZRU-MRXNPFEDSA-N 269.348 3.566 30 20 CHED C[C@@H](O)c1ccc(-c2ccc(C3(C#N)CC3)cc2)cc1 871889376 HLDLZUVGHFOAIT-CYBMUJFWSA-N 263.340 3.962 30 20 CHED CCCCCCCCNc1cc(Cl)nnc1O 872492954 MKVHMEDJYXLUOU-UHFFFAOYSA-N 257.765 3.608 30 20 CHED C=CC(C)(C)CC(=O)N(C)Cc1nc2ccccc2s1 877980443 KKOMNZQTZPVVPV-UHFFFAOYSA-N 288.416 3.857 30 20 CHED CC(=O)[C@](C#N)(CCN1[C@@H](C)CCC[C@H]1C)c1ccccc1 878088575 SNZFBPNMRUZIHF-JTDSTZFVSA-N 298.430 3.690 30 20 CHED CC(=O)c1c(Cl)cccc1NCCCCC#N 881918102 CPYJGIXIOUHJSJ-UHFFFAOYSA-N 250.729 3.648 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1ccc2c(C)cc(=O)oc2c1 890926803 UVIYBCIWHILCJV-UHFFFAOYSA-N 299.370 3.667 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccnc1C(F)(F)F 890969661 KCNTZDOEQLWGJH-UHFFFAOYSA-N 272.270 3.641 30 20 CHED C=C1CCC(C(=O)Nc2ncc(CCCC)cn2)CC1 891370196 XDMMTKXGMCKFRN-UHFFFAOYSA-N 273.380 3.504 30 20 CHED C=CCC(CC=C)c1nc([C@@H](C)OCC(F)(F)F)no1 896604925 ZIOPPYIIJUOBOW-SECBINFHSA-N 290.285 3.945 30 20 CHED C=C1CC(c2noc(Cc3c[nH]c4cc(F)ccc34)n2)C1 896883683 HBSNBZZSFBKOCV-UHFFFAOYSA-N 283.306 3.714 30 20 CHED C=C1CC(c2noc([C@H](C)Oc3cccc(C)c3)n2)C1 896890297 JCWJQWPCZZTQCB-LBPRGKRZSA-N 270.332 3.952 30 20 CHED CCCOc1ccc(/C=C2\C(=O)c3nccn3[C@H]2C)cc1 901560259 JKIPYDNNFZZGQZ-CMHHUMAZSA-N 282.343 3.513 30 20 CHED CSc1ccc(/C=C/C(=O)c2cc3n(n2)CCC3)s1 901560601 LUMMICYGLVONHD-GQCTYLIASA-N 290.413 3.509 30 20 CHED COc1ccc(C)cc1C/N=C\c1cc(Cl)ccc1O 914558080 RHZPZPMOYCTZJI-NVMNQCDNSA-N 289.762 3.982 30 20 CHED CCCCCCCCCC(=O)N1CCOC(C)(C)C1 915081452 STEWTIRWQCCMQV-UHFFFAOYSA-N 269.429 3.765 30 20 CHED Cc1cc(C)cc(NN=Cc2ccc(C)c([N+](=O)[O-])c2)c1 916346893 ZYPJYDSDVWBMBU-UHFFFAOYSA-N 283.331 3.966 30 20 CHED C=CCOC(=O)c1oc2ccccc2c1CSC 916608847 QLEBUQIZZTUXIR-UHFFFAOYSA-N 262.330 3.639 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc21 917093723 NNOLXCIKDRRLQU-GFCCVEGCSA-N 293.326 3.590 30 20 CHED Cc1sc(NC(=O)c2scnc2Cl)c(C#N)c1C 920078583 NOEYXADTLNCRFZ-UHFFFAOYSA-N 297.792 3.599 30 20 CHED Fc1cccc(NN=Cc2csc(-c3ccccn3)n2)c1 920385916 KWGJYWQZKGDNSJ-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C=CCOc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 922585122 INZDJWYECMBDFO-IBGZPJMESA-N 294.398 3.887 30 20 CHED C=CCC(C)(C)c1noc(-c2cccc3c2CCOC3)n1 924080427 UQOKATPTRGJLHB-UHFFFAOYSA-N 284.359 3.663 30 20 CHED C=CC(C)(C)CC(=O)N(Cc1ccccn1)CC(C)C 928743416 UTTYELPMNHPTOK-UHFFFAOYSA-N 274.408 3.669 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(CC1CC1)C(C)C 930020002 YOVJGVKYWGVVIE-UHFFFAOYSA-N 271.364 3.519 30 20 CHED C=C[C@@H](CC)CC(=O)N(C)CCCc1nc2ccccc2[nH]1 930898193 TYQJAELTYVJQQE-AWEZNQCLSA-N 299.418 3.556 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cnn(C2CCC2)c1 934323227 VXSKOTJWXHMLHB-UHFFFAOYSA-N 290.411 3.818 30 20 CHED CC(=NNc1ccc(C)c(Cl)c1)c1cn(C)c(C)n1 1116924181 QAVFVPDWLMOLCJ-UHFFFAOYSA-N 276.771 3.526 30 20 CHED CC[C@H](Nc1cc(C#N)cnn1)c1ccc(Cl)cc1 1162068587 YJMCWRVRBDPWOF-ZDUSSCGKSA-N 272.739 3.565 30 20 CHED CC1(C)CN(Cc2ccc(F)c(C#N)c2)CC(C)(C)C1 1193105275 WLYMNEIIJUEUDH-UHFFFAOYSA-N 274.383 3.955 30 20 CHED COc1ccc(C#N)cc1CN1CC[C@@H](C2CCCC2)C1 1195306147 JPCXMQGIHCBTSU-MRXNPFEDSA-N 284.403 3.579 30 20 CHED N#C[C@H]1CCCN(CCCc2ccccc2Cl)C1 1197620622 AVYIFZONDLOHGY-CYBMUJFWSA-N 262.784 3.508 30 20 CHED CC(C)C1(C)CCN(Cc2ccc(C#N)cc2F)CC1 1205485578 BVJLKNTZSATOCN-UHFFFAOYSA-N 274.383 3.955 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CCc2ccccc21 1205650687 RCGZDFUGLBMIAW-PXNSSMCTSA-N 288.394 3.865 30 20 CHED CC[C@H]1CCC[C@@H]1CNCc1cccc(F)c1C#N 1205858970 FZSRHRBKONNKRF-QWHCGFSZSA-N 260.356 3.613 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1NC(=O)Nc1sccc1C#N 1207287117 QBYZRFSLXOBFBC-JFGNBEQYSA-N 277.393 3.566 30 20 CHED Cc1sccc1C(=O)O[C@H](C)c1cccc(C#N)c1 1266018794 KBDHTJKKAKOALR-SNVBAGLBSA-N 271.341 3.846 30 20 CHED Cc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c2c1CCC2 1275465026 RGZHRHCVYYJJDK-ZIAGYGMSSA-N 283.371 3.723 30 20 CHED CCC[C@H](NC(=O)c1cccc(C#N)c1)C1CCCC1 1275585754 FOEFOQPEAZTSJM-INIZCTEOSA-N 270.376 3.647 30 20 CHED C[C@H](NN=Cc1ccc2c(c1)CCC2)c1ccccc1 1318776417 IWXKHKKESLTHLC-AWEZNQCLSA-N 264.372 3.860 30 20 CHED Cc1ccc(C=NNc2ccc(C(C)(C)C)nn2)c(C)c1 1318930065 VCPSOOYOGBQGIL-UHFFFAOYSA-N 282.391 3.837 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@@H]1c1cccc(F)c1 1321282241 SJYOMAQWWNKHMZ-QGZVFWFLSA-N 294.329 3.593 30 20 CHED CCOc1cccc(-c2nnc(-c3ccc(C#N)cc3)o2)c1 1322503342 MYOINZBQZNBKII-UHFFFAOYSA-N 291.310 3.674 30 20 CHED Cc1coc(C(=O)OCCCCC(C)(C)C#N)c1C 1322551650 PTAZRLLZJITATE-UHFFFAOYSA-N 263.337 3.773 30 20 CHED CC(=NNc1ccn(C)n1)c1cc(Cl)sc1Cl 1324493417 RNZFZQZUOSHKAF-UHFFFAOYSA-N 289.191 3.625 30 20 CHED Nc1ccc(C=NNc2ccc(F)c(F)c2F)c(Cl)c1 1327800165 IQBZCWMHNNLMOI-UHFFFAOYSA-N 299.683 3.786 30 20 CHED CCCCCC[C@@H](C)CC(=O)N(CC)[C@@H](C)C#N 1331284342 ZBZJANOZENDZOC-KGLIPLIRSA-N 252.402 3.744 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1336877825 TUYAUJOCBIPKBM-AWEZNQCLSA-N 297.402 3.625 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(C)=O)c(C)c1 1337552442 XJMSXYKNSZLDMU-MRXNPFEDSA-N 285.387 3.768 30 20 CHED Cc1ccc(COC(=O)C2(c3cccc(C#N)c3)CC2)s1 1342644265 VSSCYWSUQFJGOO-UHFFFAOYSA-N 297.379 3.703 30 20 CHED N#CCc1cccc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1 1344492809 DNAQFOWCWIYCTM-HZPDHXFCSA-N 297.402 3.797 30 20 CHED C=C(CC)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 1346279878 OQCOGWJRMHJCMA-ZDUSSCGKSA-N 261.365 3.617 30 20 CHED Cc1cccnc1CSc1cccc(F)c1C#N 1459111989 WVNFVBNJHNHCSO-UHFFFAOYSA-N 258.321 3.693 30 20 CHED C[C@@H]1CCCC[C@@H]1CNc1c(C#N)cccc1C#N 1472678012 ACKJMHYWWYJDCK-IUODEOHRSA-N 253.349 3.668 30 20 CHED CC(C)(C)c1ccc(C#N)c(OCc2cccc(F)c2)n1 1473047639 DUXYCYNYIJYAHN-UHFFFAOYSA-N 284.334 3.969 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1OC(=O)C1(c2cccc(C#N)c2)CC1 1520874740 HGIPNWWZRMBSRQ-JKIFEVAISA-N 297.398 3.958 30 20 CHED Cc1csc(NC(=O)c2cnc3ccccc3c2)c1C#N 1520917056 UEYLOGKBIQFVSQ-UHFFFAOYSA-N 293.351 3.729 30 20 CHED N#Cc1ccc(NC(=O)c2ccc(CF)cc2)cc1Cl 1530355093 KXHTWURTZMTYMQ-UHFFFAOYSA-N 288.709 3.933 30 20 CHED C=C[C@H](C(=O)O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 1588664491 QRCDJRAKHRILFJ-CVEARBPZSA-N 285.387 3.633 30 20 CHED CCCC[C@H](SCc1ccc(F)cc1C#N)C(=O)O 1595656870 FASVZEJPPFMZBY-ZDUSSCGKSA-N 281.352 3.574 30 20 CHED Cc1c(C#N)cccc1C(=O)NC1(C2CCCCC2)CC1 1616982530 WNOONODNNJXLHK-UHFFFAOYSA-N 282.387 3.709 30 20 CHED CC(C)(C)CCCC(=O)Nc1cc(F)cc(C#N)c1 1624291208 JYGMGHOXMHKRAG-UHFFFAOYSA-N 262.328 3.852 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1ncnc2sccc12 1640060743 LEIDWEWIDQGLRQ-LLVKDONJSA-N 294.383 3.760 30 20 CHED CCC[C@H]1CCCN(c2ncc(Cl)c(C)c2C#N)C1 1642412039 JAFDFFWCOHBPSE-LBPRGKRZSA-N 277.799 3.932 30 20 CHED CCc1csc(N(CCC#N)CC(CC)CC)n1 1642527791 FTXICMNXCAKEKR-UHFFFAOYSA-N 265.426 3.862 30 20 CHED N#Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1)CC2 1645169671 PXKWYVKRFWBROC-UHFFFAOYSA-N 268.747 3.774 30 20 CHED CCCN(Cc1ccccc1F)c1nccc(C)c1C#N 1652046262 JDBGSHWMOCIRKL-UHFFFAOYSA-N 283.350 3.817 30 20 CHED CCCC[C@H](C)[C@@H](C)NCCc1ccc(C#N)cc1 1660257985 AREFRNHPTXYILP-LSDHHAIUSA-N 258.409 3.905 30 20 CHED CC(C)(CNC(=O)Nc1cc(C#N)ccc1F)C1CCC1 1678270081 QQVIIANZVOUGEX-UHFFFAOYSA-N 289.354 3.645 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)o2)cc1F 1777433814 RHOJDXMPFXVUJL-AATRIKPKSA-N 288.274 3.630 30 20 CHED CN(CCCC#N)Cc1cc(Cl)cc(Cl)c1 52070750 GVNLCFRVZFUUAJ-UHFFFAOYSA-N 257.164 3.729 30 20 CHED CC(C)(C)OC(=O)Oc1ccc(Br)cc1C#N 117307453 LIQJFYVKTISWER-UHFFFAOYSA-N 298.136 3.635 30 20 CHED C#CCCOC(=O)c1csc(-c2ccc(Cl)s2)n1 170714973 MJXOHDFUNPYULX-UHFFFAOYSA-N 297.788 3.705 30 20 CHED CC(C)(CNCc1cc(C#N)cs1)c1ccccc1F 177693554 AODJKYOEGBUEMU-UHFFFAOYSA-N 288.391 3.826 30 20 CHED O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Cc2ccc(F)cc21 176409764 LGGUYXNDDIXTFG-WUXMJOGZSA-N 283.258 3.556 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(OCC3CC3)cc2)c1 55161277 APVPUAXUGZZXOG-UHFFFAOYSA-N 292.338 3.599 30 20 CHED C=CCCCOC(=O)c1nc(-c2ccco2)sc1C 117993997 NVFFGLVOYQQIJE-UHFFFAOYSA-N 277.345 3.835 30 20 CHED CC1(C)CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1 174715059 VZNQTWIHGJOVFQ-UHFFFAOYSA-N 285.391 3.797 30 20 CHED COc1ccc(CN(C)Cc2ccc(F)cc2C#N)cc1C 103144220 XJWKDNIKRJEGFV-UHFFFAOYSA-N 298.361 3.646 30 20 CHED C=CC[C@@H](C)NC(=O)c1csc(-c2ccccc2)n1 116859649 YLUPWSTWKHXTJP-LLVKDONJSA-N 272.373 3.505 30 20 CHED CC[C@@H](NCCCSCC#N)c1cc(F)ccc1F 179803322 IRUFEKULDZVEMP-CQSZACIVSA-N 284.375 3.652 30 20 CHED COc1ccc(C(=O)O[C@H](C)CC#N)cc1-c1ccccc1 113691922 TVOONRDGEKEJQZ-CYBMUJFWSA-N 295.338 3.821 30 20 CHED CC(C)(CCC#N)CNCc1cccc(OC(F)F)c1 174355226 KBFZSNWTUKZMNU-UHFFFAOYSA-N 282.334 3.708 30 20 CHED N#CC1(c2nc(-c3ccccc3Cl)no2)CCCC1 177730130 YZBPFUKOPFZPDS-UHFFFAOYSA-N 273.723 3.725 30 20 CHED FC(F)(F)c1ccc(C#CCNCc2ccsc2)cc1 177715703 OPIHUXZLKHQSTQ-UHFFFAOYSA-N 295.329 3.908 30 20 CHED CC(C)CCN(C)C(=O)c1c(Cl)cc(C#N)cc1Cl 1441894939 RIBGJXZWFDIQGZ-UHFFFAOYSA-N 299.201 3.983 30 20 CHED CN(c1ccc(Cl)c(C#N)n1)C1CCCCCC1 301501724 FFKZVNCCPLVXIM-UHFFFAOYSA-N 263.772 3.766 30 20 CHED C=CCCCc1nc(-c2ccc(N3CCCCC3)nc2)no1 178405986 ZAPWJGVMJCDGEH-UHFFFAOYSA-N 298.390 3.631 30 20 CHED C=CCCCC(=O)NCCCCOc1ccc(C)cc1 175343930 CVIPZODVTUKQSL-UHFFFAOYSA-N 275.392 3.627 30 20 CHED C=CCCCC(=O)N1CCCc2c(F)ccc(F)c21 177997593 KMIUBRQHYVJOSQ-UHFFFAOYSA-N 265.303 3.600 30 20 CHED N#Cc1ccc2nc(NCCc3ccc(F)cc3)ccc2c1 301807078 FRBLMRSUWOIESZ-UHFFFAOYSA-N 291.329 3.900 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1occc1C 119030353 UGVXCYJESJVIEG-AATRIKPKSA-N 256.301 3.801 30 20 CHED CCC(C)(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 175006831 BHNMKRIUPCJYMZ-UHFFFAOYSA-N 297.320 3.609 30 20 CHED CN(CCc1cccc2ccccc12)c1ncccc1C#N 301148730 NIHKGHZRZUKSPZ-UHFFFAOYSA-N 287.366 3.785 30 20 CHED C[C@@H](NCCSCc1ccccc1C#N)C1(C)CC1 177822972 KGKMDZPQOVJTOG-CYBMUJFWSA-N 274.433 3.570 30 20 CHED N#Cc1cccc(N[C@H]2CC[C@H](Cc3ccccc3)C2)n1 302476493 FFDDDAJJSPTWEO-CVEARBPZSA-N 277.371 3.777 30 20 CHED CC(C)[C@H](CNc1cccc(C#N)n1)c1ccccc1 301280804 OAJKWNGRLKSDBO-INIZCTEOSA-N 265.360 3.805 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2cc(F)cc(Cl)c2)C1 185737444 FCDGIIIZIWNGPS-JOYOIKCWSA-N 252.720 3.973 30 20 CHED C=CCCCN(C)CCOc1ccccc1Cl 605149612 DEJRLJLSCCYGQI-UHFFFAOYSA-N 253.773 3.617 30 20 CHED CC(C)(CCC#N)CNC1CCN(Cc2ccccc2)CC1 174237712 YINXXOFKZJXPMA-UHFFFAOYSA-N 299.462 3.571 30 20 CHED C=CCCCCCCNC(=O)c1c(F)cc(C#N)cc1F 314988900 YPUFXPCYEQEBRX-UHFFFAOYSA-N 292.329 3.703 30 20 CHED C[C@H](N[C@@H](C)C1CCSCC1)c1ccc(C#N)cc1 353927470 JFEQHUYNZXQBKO-STQMWFEESA-N 274.433 3.741 30 20 CHED CC(C)SCCNc1cc(C(F)(F)F)cnc1C#N 413302800 ZYGRUTBPEPLLRV-UHFFFAOYSA-N 289.326 3.526 30 20 CHED C[C@H]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1 127771174 DSDSEXJFPCYEKB-WMLDXEAASA-N 299.418 3.526 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CC(C)(C)c1ccccc1 410829122 QAASBDSLXURRTJ-OAHLLOKOSA-N 272.392 3.505 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(C#N)cc2)C1 509279217 MEZVJUQSINFKHG-DLBZAZTESA-N 299.418 3.572 30 20 CHED CCCCNC(=O)c1ccccc1Oc1ccccc1C#N 182146726 PCGGIZPLASFJTL-UHFFFAOYSA-N 294.354 3.880 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ncc(-c2ccccc2)cn1 186048098 MIMFWNUFLGZOMR-GJZGRUSLSA-N 281.403 3.834 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2ccc(C(F)(F)F)cc2)C1 185753457 LZPQSUXZKLZSLG-UKRRQHHQSA-N 296.336 3.920 30 20 CHED N#Cc1ccccc1NC(=O)CCc1cc(Cl)cs1 78169851 HPXRWPTTYXZUCL-UHFFFAOYSA-N 290.775 3.844 30 20 CHED CC#CCCCC(=O)Nc1c(C)cc(N(C)C)cc1C 186086913 SFKLRTNWXMWCOD-UHFFFAOYSA-N 272.392 3.502 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OCC)cc1F 412907415 KJDJUECNGSGHRJ-HNNXBMFYSA-N 265.328 3.765 30 20 CHED C=CCCN(C)[C@@H]1CCCc2nc(CC)sc21 152689089 CTSFSIAFTSFBGD-GFCCVEGCSA-N 250.411 3.591 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)Cc1cccc(C2CC2)c1 412214192 LVRNYVGRPHMCLC-UHFFFAOYSA-N 298.430 3.895 30 20 CHED N#CCOc1ccc(N[C@@H]2CCCc3ccc(O)cc32)cc1 319638770 GZFLISRKFBUDSP-GOSISDBHSA-N 294.354 3.784 30 20 CHED CCc1ccc([C@H](COC)N[C@@H](C)c2cccc(C#N)c2)o1 181812456 UWWVPCCDFKQBND-GUYCJALGSA-N 298.386 3.752 30 20 CHED C#CCCCCC(=O)N[C@H](c1ccccc1)C1CCC1 120106206 LITVQOLZKJDQGZ-GOSISDBHSA-N 269.388 3.838 30 20 CHED CCCCOc1ccc(CNCC2(C#N)CCC2)cc1 418137227 DLIXWIWWXABPMQ-UHFFFAOYSA-N 272.392 3.649 30 20 CHED CCCC[C@@H](CC)CC(=O)N(C)[C@H](C#N)CCC 410826560 IODZVOLJCFATGQ-KGLIPLIRSA-N 252.402 3.744 30 20 CHED C=CCN(C(=O)N[C@H](C)c1ccc(C2CC2)cc1)C1CC1 419582080 JXOTZFKRZPCOET-CYBMUJFWSA-N 284.403 3.985 30 20 CHED C=CCN(Cc1cccs1)[C@@H](C)c1nnc(C)s1 411143856 ZLZBNOYRULVDRO-JTQLQIEISA-N 279.434 3.657 30 20 CHED C[C@@H](NC(=O)CSCCC#N)c1cccc2ccccc12 413015464 SRDMPLJCFFKYDX-CYBMUJFWSA-N 298.411 3.664 30 20 CHED CCCCC[C@H](C)C/C(O)=N/S(=O)(=O)CCCC 76761750 AUZBTPJNRNAVTG-LBPRGKRZSA-N 277.430 3.679 30 20 CHED CC(C)(C#N)CCCNc1ccc(C(=O)N2CCCC2)cc1 133656236 PXLQOVFIIBUNEL-UHFFFAOYSA-N 299.418 3.664 30 20 CHED CC[C@H](C)N(C(=O)c1ncc(C#N)cc1Cl)[C@H](C)CC 410683855 MMYJSRLHQDCGLP-PHIMTYICSA-N 293.798 3.646 30 20 CHED C=C(C)CN(C)C(=O)NC1CCC(CCC)CC1 182452983 KIIYTQCNVBDZBG-UHFFFAOYSA-N 252.402 3.563 30 20 CHED C=C(C)[C@@H](NCCOCC(C)C)c1ccc(F)c(F)c1 501033795 VYNKCNQBCIADOQ-MRXNPFEDSA-N 283.362 3.844 30 20 CHED CC1(C)CCC[C@H]1/N=C(/O)c1cc2nc[nH]c2cc1F 329396101 UGYIMEWRWJDDHD-CYBMUJFWSA-N 275.327 3.585 30 20 CHED CCN(Cc1ccccc1C)C(=O)c1cc(C#N)cs1 84076511 UIVWEQQYBUSKKR-UHFFFAOYSA-N 284.384 3.591 30 20 CHED Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1F 43281069 ZAELDRBQFSTNNM-UHFFFAOYSA-N 297.333 3.670 30 20 CHED C=C(C)CCc1noc(-c2cccc(OCC)c2)n1 508637398 NUAUBFYUDFZUBV-UHFFFAOYSA-N 258.321 3.644 30 20 CHED CCN(C(=O)Cc1c(F)cccc1C#N)c1ccccc1C 507720123 VKULZBOEILFOKN-UHFFFAOYSA-N 296.345 3.601 30 20 CHED CCOc1cc(F)ccc1NC(=O)c1cccc(CC#N)c1 46519938 MPPIDHGQJCWSRT-UHFFFAOYSA-N 298.317 3.543 30 20 CHED Cc1ccc(C#N)cc1NCc1noc(-c2ccsc2)n1 86204576 BMOBNCYXXCLLSU-UHFFFAOYSA-N 296.355 3.590 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2cccc(Cl)c2)C1 192606718 QMJVYKHGMYJHQY-UKRRQHHQSA-N 262.784 3.554 30 20 CHED C=CCc1cc(CN2CCCC[C@H]2CC)cc(OC)c1O 505315274 WZFYYFWNOALKNL-MRXNPFEDSA-N 289.419 3.894 30 20 CHED N#Cc1ccc(CNC(=O)CCCC2CCCCC2)cc1 43749249 RGGGNOHUIABANP-UHFFFAOYSA-N 284.403 3.925 30 20 CHED CCN(C(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 132743369 DNCYQWMDBRJOCL-UHFFFAOYSA-N 289.354 3.884 30 20 CHED CO[C@H](C)c1nc(CNc2cc(C#N)ccc2C)cs1 177507723 ABUMYZOSAAWRKD-LLVKDONJSA-N 287.388 3.643 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2ccc(F)cc2C1 133853493 OOZNPSHLQLYOOX-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED C#CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)ccc1C 195688798 BBCSMJORRHTEBY-SFHVURJKSA-N 290.366 3.503 30 20 CHED C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1F 194972738 WPDSFVMUMGPCHC-CYBMUJFWSA-N 268.335 3.890 30 20 CHED COc1ccc(OC(C)C)c(NCc2ccc(C#N)o2)c1 130149276 WWTKAGHYSMIUNJ-UHFFFAOYSA-N 286.331 3.559 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H]1CCCCC(F)(F)C1 529419783 VIOMRCMMUVQPJV-GFCCVEGCSA-N 286.366 3.648 30 20 CHED C[C@H]1CCCCN1c1nc(C(C)(C)C)ccc1C#N 613408999 DPZSTEQOZMZOEB-LBPRGKRZSA-N 257.381 3.630 30 20 CHED O=C1CC[C@H](/C(O)=N/[C@H]2CCCc3occc32)n2cccc21 329867279 VTNZIKGUEQACHI-GXTWGEPZSA-N 298.342 3.633 30 20 CHED N#CC1(/N=C(/O)CCc2nc3ccccc3o2)CCCC1 328772628 JTLKFKUEMQSEOJ-UHFFFAOYSA-N 283.331 3.553 30 20 CHED N#Cc1cc(F)c(C(=O)Nc2cccc3[nH]ccc23)c(F)c1 130771344 KIGICGRXYCEDOB-UHFFFAOYSA-N 297.264 3.570 30 20 CHED C=CCCCCCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 518952745 VIMOCUGLXJJYHX-CVEARBPZSA-N 263.425 3.766 30 20 CHED CCCc1csc(CN(C)Cc2ccc(C#N)cc2)n1 426038588 YXPCHQVLWJHONX-UHFFFAOYSA-N 285.416 3.599 30 20 CHED CC(C)(C)c1ccc(CCN[C@@H]2CC[C@H](C#N)C2)cc1 425360935 YKCQHJDYUWQKSX-DOTOQJQBSA-N 270.420 3.808 30 20 CHED CC1(C)[C@H](c2ccccc2)C[C@H]1N[C@@H]1CC[C@H](C#N)C1 424332861 TWSLPYGRGNLUSS-PQEBFOHHSA-N 268.404 3.851 30 20 CHED C=CCN(CCOC)Cc1cnc(-c2cccs2)s1 191758077 MFQHUCWACCIKTC-UHFFFAOYSA-N 294.445 3.506 30 20 CHED CCOc1cccc(/C=N/Cc2cccc(COC)c2)c1O 44010328 UHHMZEYKPCSCNF-XDHOZWIPSA-N 299.370 3.556 30 20 CHED CCC(C)(C)C1CCC(/N=C(/O)Cc2cncnc2)CC1 329842249 NSSLOVIDJIFVIR-UHFFFAOYSA-N 289.423 3.971 30 20 CHED C=CCN(C)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 429879588 LPMDNMMMUBDMGK-LBPRGKRZSA-N 286.297 3.508 30 20 CHED C=CCC1(C(=O)N2CCc3cc(Cl)ccc3C2)CCC1 191462858 CEYINQCXNYCCBU-UHFFFAOYSA-N 289.806 3.971 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC(C)(C(C)C)CC1)OCC 428438284 JQPZRIXSCDAHIT-HNNXBMFYSA-N 281.440 3.642 30 20 CHED CCO[C@H](C)c1ncc(/C(O)=N/C2CCCCC2)s1 330910625 GWQVGEUIMLYMOX-SNVBAGLBSA-N 282.409 3.878 30 20 CHED C=CCN(CCc1ccco1)C(=O)[C@H]1CCCC[C@H]1C 424800418 ZSLBPVVEVYZEOL-ZBFHGGJFSA-N 275.392 3.663 30 20 CHED CCc1ccc([C@H](CC)N[C@@H]2CC[C@H](C#N)C2)cc1 424334394 VJWZNSQIPPDRBZ-UAGQMJEPSA-N 256.393 3.982 30 20 CHED N#CC1CCC(CNC(=O)Nc2ccsc2Cl)CC1 335845033 IESKUXBUSWJQEM-UHFFFAOYSA-N 297.811 3.853 30 20 CHED CCc1cccc(C)c1NC(=O)NCc1ccc(C#N)s1 421039873 UVOAGVNWFOQHPU-UHFFFAOYSA-N 299.399 3.812 30 20 CHED CCC(CC)[C@H](CCNCc1ccc(C#N)c(F)c1)OC 421339992 HRVKHDFIMBUBPM-KRWDZBQOSA-N 292.398 3.628 30 20 CHED CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1CCCc2sccc21 336407341 OJGZFDHCTFZUCT-BLLLJJGKSA-N 290.432 3.613 30 20 CHED C=CCCCCCn1cnc2c(C)csc2c1=O 194360483 LXJBFCCBYULFQF-UHFFFAOYSA-N 262.378 3.513 30 20 CHED N#Cc1cc(Cl)ccc1NCCOc1ccc(F)cc1 511396915 VIRSBYZDHYDYAT-UHFFFAOYSA-N 290.725 3.842 30 20 CHED C[C@@H]1OCC[C@]1(C)/N=C(/O)CCc1ccc2ccccc2n1 330171083 FCAZOKKEWGFZIM-UGSOOPFHSA-N 298.386 3.691 30 20 CHED C[C@H](c1cccnc1)N(C)CC#Cc1cccc(Cl)c1 93235110 ZJGIMLFNVUOYFP-CQSZACIVSA-N 284.790 3.780 30 20 CHED CCN(CC#N)Cc1ccc(-c2c(F)cccc2F)o1 92398844 BJHGDZFTBCGTQJ-UHFFFAOYSA-N 276.286 3.570 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1csc(-c2ccoc2)n1 334856974 DZOOSRRVKHXVRR-LBPRGKRZSA-N 288.372 3.584 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc2c(c1)CCC=C2 335803516 MYSIGYNSSZALFZ-UHFFFAOYSA-N 280.352 3.831 30 20 CHED N#Cc1ccnc(NCc2ccc(F)cc2C(F)(F)F)c1 339975877 NGUQKGNLTKMLJY-UHFFFAOYSA-N 295.239 3.723 30 20 CHED CCOc1c(Cl)cccc1CNCC1(CC#N)CC1 430007504 RYJGLANXXIPWRW-UHFFFAOYSA-N 278.783 3.522 30 20 CHED N#Cc1sc(NC2CCCCCC2)nc1Cl 236075427 DHEPDENIHMBENN-UHFFFAOYSA-N 255.774 3.803 30 20 CHED C=CCCCC(=O)N[C@H]1CC(C)(C)c2ccccc21 432343713 ZNCAARKUGGXZHM-HNNXBMFYSA-N 257.377 3.882 30 20 CHED Cc1cc(C)c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)o1 336121592 NXQZKNXRXHMWBH-ZDUSSCGKSA-N 288.734 3.545 30 20 CHED C=CCCNc1cc(Cl)ccc1O[C@@H](C)COC 526047411 DJTWHLQYSMQWND-NSHDSACASA-N 269.772 3.742 30 20 CHED CC(C)n1ccnc1SCc1cn2ccccc2c1C#N 345286258 LVNUYIRHAPEQDX-UHFFFAOYSA-N 296.399 3.881 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1OCC1CC1 439578726 GTGKNIVJXGHFHZ-CQSZACIVSA-N 288.391 3.952 30 20 CHED C=CCCCCCN(C)Cc1cccc(OC)c1OC 539826532 SOPZLSWUNJVWSA-UHFFFAOYSA-N 277.408 3.882 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCCC[C@@H]1CCC(C)C 436193045 VZXIVBFLXMWBRV-CQSZACIVSA-N 288.391 3.891 30 20 CHED N#Cc1cccc(F)c1CC(=O)Nc1ccc(Cl)cc1 349043903 MSYBRTFMJOJSQH-UHFFFAOYSA-N 288.709 3.532 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 529427672 RYMDZZSATXKARI-CTYIDZIISA-N 288.366 3.518 30 20 CHED CC[C@H](NCc1cccc(C#N)c1F)c1c(C)noc1C 348142731 ZFXAXXKCICTCIB-AWEZNQCLSA-N 287.338 3.543 30 20 CHED COc1ccc(S[C@@H](C#N)Cc2ccccc2)cc1 603452544 WVYOXIBNBIKEHD-MRXNPFEDSA-N 269.369 3.922 30 20 CHED CC(C)(C#N)CCCCOc1cc(F)cc([N+](=O)[O-])c1 436212881 WWBYTDAULBJNKQ-UHFFFAOYSA-N 280.299 3.833 30 20 CHED CC(C)(C)OC1CC(CCNCc2ccc(C#N)cc2)C1 432250238 JQZNWDQILKQSJX-UHFFFAOYSA-N 286.419 3.632 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(NCC(C)(C)C)cc1 437258869 WNXWSLSZIKLSEJ-UHFFFAOYSA-N 286.419 3.959 30 20 CHED C=CCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 347719523 NFYRVWXHBWWTCZ-CYBMUJFWSA-N 261.756 3.539 30 20 CHED Cc1ccccc1[C@H]1CCN(c2ncc(C#N)cc2Cl)C1 524166488 JXWCKPOEXCTVHN-AWEZNQCLSA-N 297.789 3.909 30 20 CHED C=CCC[C@@H](NCc1cc(C)n(C)n1)c1ccccc1 341929156 MDCFEQNLBRABHZ-QGZVFWFLSA-N 269.392 3.526 30 20 CHED N#Cc1cccc(SCC(=O)c2ccc3c(c2)COC3)c1 344861910 KKLYXMIOCJCJCE-UHFFFAOYSA-N 295.363 3.563 30 20 CHED CCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1Cl 342806826 UCFMMNCMTBQBGW-YPMHNXCESA-N 278.783 3.521 30 20 CHED CC[C@@H](NCCSC(C)C)c1ccc(C#N)cc1 348283081 TXCJITDTFCXGHI-OAHLLOKOSA-N 262.422 3.741 30 20 CHED C[C@H](N[C@H]1CCCc2ncccc21)c1cccc(C#N)c1 601267396 XGEJWJNOIKLQTH-UGSOOPFHSA-N 277.371 3.681 30 20 CHED CO[C@@H](CNC[C@H](C)CCC#N)c1ccc(Cl)cc1 602568619 PMHWCFDIBMBAGC-DOMZBBRYSA-N 280.799 3.557 30 20 CHED C=C(C)CCNCc1cnc(CCc2ccccc2)s1 449472573 FYPYKFPYIFHVRE-UHFFFAOYSA-N 286.444 3.984 30 20 CHED CCOc1ccc(C=NOCc2cccc(F)c2)cc1 255388094 FUNKVJGQTRIZHI-UHFFFAOYSA-N 273.307 3.775 30 20 CHED C=CCCOCCCCc1nc([C@H]2CCCS2)no1 357069978 IGNFNYXXZOQBNA-GFCCVEGCSA-N 282.409 3.553 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 354887696 IDPZLWANGAZNRD-BBRMVZONSA-N 299.418 3.572 30 20 CHED CN(Cc1c(Cl)ccc2cccnc12)CC(C)(C)C#N 354018649 QYWUDSRLGXOJKF-UHFFFAOYSA-N 287.794 3.870 30 20 CHED C=C(C)CN1CCC(Nc2nccc3ccc(F)cc23)CC1 354326040 YBVPJXVINAQJQV-UHFFFAOYSA-N 299.393 3.826 30 20 CHED N#Cc1c(CNc2cccc(F)c2F)cn2ccccc12 446632992 WGJCDHWXVFNOOG-UHFFFAOYSA-N 283.281 3.701 30 20 CHED C=C(C)CCNCc1ccc(OC(F)F)c(Cl)c1 449479917 WPOPNAOIRXPQQO-UHFFFAOYSA-N 275.726 3.997 30 20 CHED C[C@]1(C#N)CCCN(C(=O)Nc2cscc2Cl)C1 603168832 IEZKZQVVKKKGAR-GFCCVEGCSA-N 283.784 3.559 30 20 CHED CN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CCC(C)(C)C1 358731121 GXLFBSLOIJPRHH-CYBMUJFWSA-N 279.428 3.536 30 20 CHED COCc1ccc(NCCCc2ccsc2)cc1C#N 530121124 JGVTVGQDVQVMBI-UHFFFAOYSA-N 286.400 3.811 30 20 CHED Cn1cc(CNc2csc3ccccc23)cc1C#N 359683497 YEBOKQFYYNECCR-UHFFFAOYSA-N 267.357 3.724 30 20 CHED CCC[C@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 353766960 JGWTUALCEVQMBK-LBPRGKRZSA-N 290.794 3.864 30 20 CHED N#CC1CCN(c2ncnc3sc4ccccc4c23)CC1 440682137 VNJSQLQWRZVYCY-UHFFFAOYSA-N 294.383 3.584 30 20 CHED Cc1ccc([C@H](C)NCCCOc2cccc(C#N)c2)cc1 538128721 QLPBMKXTRLNGNP-INIZCTEOSA-N 294.398 3.986 30 20 CHED C[C@H]1CC[C@H](c2ccccc2)N(CC2(C#N)CC2)C1 352808852 ZXRNRIVYBTVDNS-GOEBONIOSA-N 254.377 3.763 30 20 CHED Cc1cc(C)c(C#N)c(NCc2coc3ccccc23)n1 358186336 CQUXPAFEADNVAI-UHFFFAOYSA-N 277.327 3.928 30 20 CHED CC[C@@H](NCc1ccnc(SC)c1)c1ccc(C#N)cc1 447586228 MWFCDMDRHLIYQL-MRXNPFEDSA-N 297.427 3.916 30 20 CHED C=CCN(CC=C)Cc1ncc(C(C)(C)C)s1 448217921 QQHMMDLGWJEQKC-UHFFFAOYSA-N 250.411 3.615 30 20 CHED C[C@@H]1CCN(C(=O)c2ccc(C#N)s2)[C@H]2CCCC[C@@H]21 531147415 TYRATAZYZXFMLB-BNOWGMLFSA-N 288.416 3.661 30 20 CHED CC1(C#N)CCC(N[C@H](CCCO)c2ccccc2)CC1 449154970 AGTIBDBWAUSOAL-LXPRWKDFSA-N 286.419 3.562 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Cc2coc3ccccc23)C1 617779280 YDGWPEJRKRDONW-CQSZACIVSA-N 283.371 3.790 30 20 CHED C=CC[C@H]1N(Cc2cccnc2C)CCCC1(C)C 352367688 BCTHUHBJPAQGRD-MRXNPFEDSA-N 258.409 3.957 30 20 CHED C[C@H](N[C@@H]1CCCc2cccnc21)c1cccc(C#N)c1 619611243 AELVWRIBBVGSCP-SUMWQHHRSA-N 277.371 3.681 30 20 CHED CC(C)(C#N)CN=c1[nH]c2cc(Cl)cc(Cl)c2o1 618972087 WNXADDPQEZNULC-UHFFFAOYSA-N 284.146 3.518 30 20 CHED CC(C)C[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 611376618 ZRYKTYPBIFQXQQ-GOSISDBHSA-N 279.387 3.830 30 20 CHED C=CCOc1ccccc1CNC(=O)[C@]1(C)CC=CCC1 448955441 MIZKKHCRFUDLLS-GOSISDBHSA-N 285.387 3.614 30 20 CHED COc1cccc(C2(CN[C@@H]3CC[C@@H](C#N)C3)CCCC2)c1 442793758 OUCRZJAQVVQCHM-NVXWUHKLSA-N 298.430 3.789 30 20 CHED N#CC[C@H](CC(=O)NCc1cccc(F)c1)c1ccccc1 354314164 ZOIGDAMPOOCCCW-MRXNPFEDSA-N 296.345 3.529 30 20 CHED C=CC(C)(C)CNC(=O)c1ccn(C)c1-c1ccccc1 615830669 FXLKNRXYBOPWAG-UHFFFAOYSA-N 282.387 3.634 30 20 CHED Cc1ccc(Cl)cc1NC(=O)[C@H](C)ON=C1CCC1 265438525 HOPUAUMCBXPVIX-JTQLQIEISA-N 280.755 3.532 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@@H](C)c2ccon2)CCCC1(C)C 445251814 QMSWSNDQIIUIER-JSGCOSHPSA-N 291.395 3.512 30 20 CHED CN(Cc1ccc2ccccc2c1)c1ccc(C#N)nc1 354092818 UVVAASNUASCUDQ-UHFFFAOYSA-N 273.339 3.743 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 612098570 UZJUGWYXZFWJBJ-FUHWJXTLSA-N 299.418 3.863 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)[C@H](C)c1cc2ccccc2o1 533877205 ZPWAXINYHIGSFE-ACJLOTCBSA-N 298.386 3.981 30 20 CHED CCCN(C(=O)[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 531043585 XRIXNCOZOUQYPN-STQMWFEESA-N 284.359 3.892 30 20 CHED COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2CC#N)c1 364711062 PFEYRHBDQNRVKK-MOPGFXCFSA-N 292.382 3.749 30 20 CHED C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1C(C)(F)F 455771606 MQVQSYHXFFCCQK-JTQLQIEISA-N 281.306 3.564 30 20 CHED C[C@H](NCCCSCC#N)c1cccc(C2CC2)c1 451112854 JXGNOQWPWSKNIB-ZDUSSCGKSA-N 274.433 3.861 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 276093929 MVLZVHDXTKRRIC-NSHDSACASA-N 298.333 3.567 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(C2CC2)c(C)c1 360841093 QMILZNHQIHCVOA-ZDUSSCGKSA-N 271.364 3.686 30 20 CHED N#Cc1c(F)cccc1NC[C@@H]1CCO[C@H]1c1ccccc1 277291131 ZMUAIAWCPZKJIO-KSSFIOAISA-N 296.345 3.887 30 20 CHED C=CCC[C@H](NCCOc1ccc(C)cc1)C1CC1 540176936 UYPGRPBGDKBBEE-KRWDZBQOSA-N 259.393 3.708 30 20 CHED C[C@@H](NCCc1cccc(F)c1F)c1ccc(C#N)cc1 549174256 QELLCMUPTOLKQY-GFCCVEGCSA-N 286.325 3.730 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)NC[C@@H](C)C#N 543805041 AIMPTSHCOVNEBY-AWEZNQCLSA-N 295.386 3.531 30 20 CHED C=C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1 367721226 OMPWJFBIFUWQJG-YESZJQIVSA-N 283.415 3.995 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1nc(C)ccc1C#N 271322442 KJTMPJQTNNCOFX-LRDDRELGSA-N 299.349 3.589 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CCC(C)C)C1CC1 549232778 HFYSVDZKCNQRMF-ZACQAIPSSA-N 265.441 3.772 30 20 CHED COc1cc(C#N)ccc1NCCCc1cccc(F)c1 545999389 OTMDXFUCUZOYKL-UHFFFAOYSA-N 284.334 3.751 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N(CC#N)C1CCCC1 543442041 RNFRGLSOXFXLIP-CYBMUJFWSA-N 264.413 3.744 30 20 CHED CCO[C@@H](CNCc1ccc(C#N)cc1F)c1ccccc1 278500398 NPSYUMSJIFJUDU-SFHVURJKSA-N 298.361 3.565 30 20 CHED Cc1c(Cl)ccc2c1N(C(=O)CC(C)(C)C#N)CCC2 362401914 KLJBGMULDJBMHT-UHFFFAOYSA-N 290.794 3.868 30 20 CHED C=CCCN1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 451840747 QHYIZDKLGFAHBR-BDAKNGLRSA-N 275.236 3.768 30 20 CHED CC#CCN(C)C(=O)Nc1ccccc1N(C)C1CCCC1 454960811 MJLSDLCCGJAGMV-UHFFFAOYSA-N 299.418 3.552 30 20 CHED CSc1cccc(NC(=O)N(C)CC(C)(C)C#N)c1C 455053523 ATWUIPWOBZCIRI-UHFFFAOYSA-N 291.420 3.730 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 620600572 NCQPURYHHCFLSP-GDBMZVCRSA-N 287.403 3.577 30 20 CHED C=CCn1cc(-c2cccc(CN3CCC[C@H]3C)c2)cn1 629702333 LSDKPZREDMUFAA-OAHLLOKOSA-N 281.403 3.720 30 20 CHED CCCCN(CC(F)(F)F)C(=O)c1ccc(CC#N)cc1 270291190 OYSFHCGKUMJVTD-UHFFFAOYSA-N 298.308 3.557 30 20 CHED Cn1ncc(CSc2ccc(C#N)cc2)c1C(F)(F)F 362482449 DNTIMKIMKCQOCQ-UHFFFAOYSA-N 297.305 3.603 30 20 CHED CCSCc1ccc(NC(=O)C2(C#N)CCC2)cc1 456476160 SFMYRBXSBPRGFR-UHFFFAOYSA-N 274.389 3.572 30 20 CHED Cn1c(-c2ccccc2)cnc1S[C@H]1CC[C@H](C#N)C1 278557627 MIGJDXJJFNKPQR-JSGCOSHPSA-N 283.400 3.871 30 20 CHED CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)cn2)CC1 548052209 DIQJZAOBZLCDLG-HUUCEWRRSA-N 299.418 3.678 30 20 CHED CC(C)Oc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 274222179 QENWCLULMYRSHR-GDBMZVCRSA-N 272.392 3.646 30 20 CHED C=CC[C@H](C(=O)N(CCC)CC1CC1)c1ccccc1 463267364 QTKARZKSQTXWEN-KRWDZBQOSA-N 271.404 3.995 30 20 CHED CCN(Cc1ccc(CO)cc1)[C@@H](C)c1ccc(C#N)cc1 272324014 LCAMNXGBVYTCFF-HNNXBMFYSA-N 294.398 3.634 30 20 CHED CCCN(C(=O)CC#N)[C@H](C)c1cc2ccccc2o1 274675703 YYCCZKBRGIRJLY-GFCCVEGCSA-N 270.332 3.646 30 20 CHED C=CCC1(NC(=O)c2c(F)ccc(C)c2F)CCCC1 622959423 YMNUREDRGWVJLU-UHFFFAOYSA-N 279.330 3.892 30 20 CHED C=CC[C@H](CC)NCc1ccc(OC[C@@H]2CCCO2)cc1 466400235 BHLLKWCNCHEUDN-WMZOPIPTSA-N 289.419 3.689 30 20 CHED C=CCCCCCN(C)C(=O)NCCC[C@H]1CCCCO1 546895438 PWNLHILLXOAEFW-MRXNPFEDSA-N 296.455 3.724 30 20 CHED CC(C)c1ccc2occ(C(=O)N[C@H](C)CC#N)c2c1 287094736 VBRQUTWDXFTWEH-LLVKDONJSA-N 270.332 3.588 30 20 CHED CC(C)[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1 469445251 ZFGANWHIJQHCGK-KRWDZBQOSA-N 296.345 3.824 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(C)c(F)cc1Cl 288975809 YXNJXIMHCRBENG-JTQLQIEISA-N 285.746 3.707 30 20 CHED Cc1oc2ccccc2c1CC(=O)N[C@](C)(C#N)C(C)(C)C 466728806 KQVWOKUZXBJDBD-GOSISDBHSA-N 298.386 3.728 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(F)ccc2F)n1 556364017 RHEVWMVMTYCWQR-UHFFFAOYSA-N 264.275 3.869 30 20 CHED CC#CCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 463249302 FGYIDMBOCLAIGP-UHFFFAOYSA-N 267.284 3.664 30 20 CHED CC(C)C(CNC(=O)[C@@H](C)c1cccc(C#N)c1)C(C)C 462340427 XRCSFWRYBMNQBX-AWEZNQCLSA-N 286.419 3.706 30 20 CHED C=C[C@@H](C)NC(=O)CCC(=O)c1ccc(CCCC)cc1 465104123 RNEPGAJEZLFGQS-CQSZACIVSA-N 287.403 3.683 30 20 CHED CCOc1ccccc1[C@@H](C)NCCc1cccc(C#N)c1 467449124 NVKXVEQCESLUKF-OAHLLOKOSA-N 294.398 3.850 30 20 CHED C=CCC1(CN[C@@H](CC)C2CCOCC2)CCCC1 556440476 CLNAGVJCIXLLHM-INIZCTEOSA-N 265.441 3.918 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCc3cccc(O)c32)cc1 297163880 DAMQOORFUZTMNF-QGZVFWFLSA-N 295.382 3.734 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)o1 806568261 UASFXQGXMSNMPC-SREVYHEPSA-N 270.332 3.572 30 20 CHED C[C@H](Cc1cccs1)N(C)c1ncc(C#N)cc1Cl 1185640879 WYIWAAVKUKGSES-SNVBAGLBSA-N 291.807 3.736 30 20 CHED CCC(CC)C(=O)N(CCC#N)c1ccc(C)cc1 299264222 MHVKDOIGSPECIO-UHFFFAOYSA-N 258.365 3.678 30 20 CHED C#C[C@@H](C)N[C@H](C)CCc1ccc(C(F)(F)F)cc1 809682914 IGNZQCLXZXIZOI-VXGBXAGGSA-N 269.310 3.638 30 20 CHED CC[C@H](CC#N)NC(=O)c1ccc(C2=CCCC2)cc1 290683730 KGKOZRAWYTXEGQ-MRXNPFEDSA-N 268.360 3.676 30 20 CHED C=CCC[C@@H](N[C@H](CO)Cc1ccccc1C)c1ccco1 560549084 LYWPFJYIYKBAJE-ZWKOTPCHSA-N 299.414 3.789 30 20 CHED N#CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 397130321 URKYWXQPLXLQJI-BRWVUGGUSA-N 288.435 3.745 30 20 CHED CSC1(C=NNc2ccc(C#N)c(C(F)(F)F)c2)CC1 800812184 YFIMOFZEAUGTMK-UHFFFAOYSA-N 299.321 3.870 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1ccc(-c2ccc[nH]2)cc1 806389240 NRDHVMLXRLGZQN-CQSZACIVSA-N 281.359 3.605 30 20 CHED C#CCC(C)(C)c1nc([C@@H]2CCc3ccccc3C2)no1 809421996 FJPMIBQDSURDKD-OAHLLOKOSA-N 280.371 3.643 30 20 CHED CSc1ccnc(N[C@@H]2CCCc3cc(C#N)ccc32)n1 569008960 QBQFFFKPXNBDRK-CQSZACIVSA-N 296.399 3.560 30 20 CHED C[C@H]1CCCC[C@@H]1NCC#Cc1cccc(Cl)c1 475149638 DZIDVFDZGUZDAG-BBRMVZONSA-N 261.796 3.860 30 20 CHED CC(C)OCCC(=O)Nc1sc(C(C)(C)C)cc1C#N 297750152 LFPOYKSTGWVRBF-UHFFFAOYSA-N 294.420 3.671 30 20 CHED C=CCCCCCCNC(=O)c1ccc(C(C)=O)cc1F 805219945 BKYNZIHTHORLPQ-UHFFFAOYSA-N 291.366 3.895 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc([S@@](C)=O)cc1 293844766 YAIRGJFWFWAGBF-BFUOFWGJSA-N 279.449 3.677 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCCC2(F)F)c1 391091649 ZFOSGMDNNVCKBD-LLVKDONJSA-N 295.289 3.704 30 20 CHED C[C@H]1CCCN(Cc2cc(C#N)n(C)c2)c2ccccc21 567086101 YFSFEHAVFXLCGV-AWEZNQCLSA-N 279.387 3.801 30 20 CHED CCOC1CC(COc2c(C#N)cnc3ccc(C)cc23)C1 291551779 AWZWFKWNYMGMDA-UHFFFAOYSA-N 296.370 3.609 30 20 CHED CCCCCCCCC(=O)N[C@@H]1CSC[C@@H]1C 804501310 BDWHAYGLXKPUJQ-QWHCGFSZSA-N 257.443 3.605 30 20 CHED CC(=NNc1nccnc1C1CCC1)c1ccc(C)cc1 807994080 LQGFZWWCONLWAV-UHFFFAOYSA-N 280.375 3.889 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(C)c(OC)cc1Cl 808898364 CLTYXKBSQLGTHC-UHFFFAOYSA-N 289.162 3.531 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1csc(C2CCCC2)n1 803783710 CNHNVEGRSHWBBV-OAHLLOKOSA-N 292.404 3.784 30 20 CHED Cc1oc(C#N)cc1-c1nc(-c2ccc(Cl)cc2)no1 568136392 SGJRBXWAAXBWST-UHFFFAOYSA-N 285.690 3.830 30 20 CHED C=CCn1cccc1C(=O)N[C@@H]1CCCc2cc(F)ccc21 488797421 AKHLDLRMGQIBFO-MRXNPFEDSA-N 298.361 3.621 30 20 CHED Cc1sccc1C=NNc1ccc(F)c(F)c1F 814946364 LAQJCSZSQBRSRT-UHFFFAOYSA-N 270.279 3.920 30 20 CHED CC1(C)CC(=NNc2ccccn2)c2sccc2O1 814732133 ZDIDALXXUUPORR-UHFFFAOYSA-N 273.361 3.520 30 20 CHED C=CCCNCc1ccc(OCCCC)c(OC)c1 657582603 VNSQAIUMTQTYBU-UHFFFAOYSA-N 263.381 3.540 30 20 CHED CC(C)c1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)cc1Cl 484913307 URSBWMPZFLHGMW-MRXNPFEDSA-N 290.794 3.885 30 20 CHED CCC(=NNc1cncc(Br)c1)c1ccco1 814887832 YVXYELYHVBITAD-UHFFFAOYSA-N 294.152 3.663 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc(F)nc2)cs1 812243644 QOXGDZWTWAOELB-HWKANZROSA-N 276.336 3.697 30 20 CHED N#CC1(CNC(=O)CC2CCC(c3ccccc3)CC2)CC1 570826207 KEROEYOMLZCAFP-UHFFFAOYSA-N 296.414 3.770 30 20 CHED C=CCC(F)(F)C(=O)N(Cc1ccc(CC)cc1)C1CC1 814935392 MHYFVSVQEVSNAH-UHFFFAOYSA-N 293.357 3.951 30 20 CHED C=CCCN(C)C(=O)Nc1cnn(CCCC)c1C(C)C 485165420 UIENQYZYENJWNT-UHFFFAOYSA-N 292.427 3.846 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@@H](C)S[C@H](C)C3)c2c1 573302979 VJZPULMMLPJWFQ-CHWSQXEVSA-N 297.427 3.745 30 20 CHED CCCCCCCCCCC(=O)N[C@@H]1CC12CCNCC2 818603998 XECLVZBMCDKAHH-MRXNPFEDSA-N 294.483 3.776 30 20 CHED C(=NNC1CC1)c1cnn(C2CCCC2)c1-c1ccccc1 817326410 QSHFMZVXZWODBA-UHFFFAOYSA-N 294.402 3.751 30 20 CHED CC[C@@H](NCCCC#N)c1ccc(C(F)(F)F)cc1O 810236110 YYUPMRUBGNGIQI-GFCCVEGCSA-N 286.297 3.755 30 20 CHED C[C@@H](COc1ccccc1)NN=Cc1ccc(Cl)cc1 811667480 WHXFXUQOFXVNLC-ZDUSSCGKSA-N 288.778 3.731 30 20 CHED Cc1c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1-c1ccccc1 818357181 WEGPRYFHTITWLN-CWRNSKLLSA-N 294.402 3.524 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@@](C)(CC)C1)c1ccccc1 489713445 ALVQXQLICXQJQC-SJLPKXTDSA-N 271.404 3.995 30 20 CHED CC(C)OCCON=Cc1cscc1C(F)(F)F 812238309 RQADTYCSWFMBQK-UHFFFAOYSA-N 281.299 3.542 30 20 CHED CCc1ccc(C#CC(=O)N(CC)Cc2cccs2)cc1 814375230 CRTLRYYQLPBRMI-UHFFFAOYSA-N 297.423 3.711 30 20 CHED C=CCC(C)(C)CNC(=O)c1nn(-c2ccccc2)cc1C 489737276 TZZATMQGMVZFKV-UHFFFAOYSA-N 297.402 3.513 30 20 CHED Cc1cc(C(=O)OCC#N)sc1-c1ccc(F)cc1 726656296 LXMXSYLCOMCBSG-UHFFFAOYSA-N 275.304 3.543 30 20 CHED Cc1ccc(-c2cnn(Cc3ccc(F)cc3C#N)c2)cc1 488063378 CGMIKELIYPHWDD-UHFFFAOYSA-N 291.329 3.918 30 20 CHED CC[C@H](C)[C@H](C)N(C(=O)/C=C/c1ccccc1C#N)C1CC1 729441967 JPLDYPLOJPEDAV-IKYJFFNYSA-N 296.414 3.997 30 20 CHED Cc1cccc2c1C/C(=C\c1cccc3c1OCCO3)C2=O 729151388 SFZIEHXGUCXHCF-GXDHUFHOSA-N 292.334 3.589 30 20 CHED C#Cc1cccc(CN[C@H]2CCCNc3ccccc32)c1 825226516 HXWAFIVFRIJPOC-IBGZPJMESA-N 276.383 3.705 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2ccccc2Cl)nc1 578396720 GGAHFYMCGPLAFQ-KRWDZBQOSA-N 297.789 3.944 30 20 CHED C#Cc1cccc(NC(=O)C[C@@H](C)c2ccccc2F)c1 726751906 WBNFBAOZQBHQCQ-CYBMUJFWSA-N 281.330 3.939 30 20 CHED C[C@H](N=c1[nH]oc2ccc(Cl)cc12)c1ccc(C#N)cc1 571012683 SRUXNFNIPMQFAU-JTQLQIEISA-N 297.745 3.948 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H](C)C(C)(F)F)cc1 580325680 VVSGOOBJAHHLNB-BXUZGUMPSA-N 294.345 3.563 30 20 CHED O=C(c1cc(Cl)ccc1F)N(O)Cc1ccc(F)cc1 901375807 KVFPKWDRSSQYMZ-UHFFFAOYSA-N 297.688 3.650 30 20 CHED C=CCCC[C@H](NC[C@@H]1CCC[C@H](CC)C1)C(=O)O 900069357 YOTCMSQKKYDXJS-ZNMIVQPWSA-N 267.413 3.602 30 20 CHED C[C@H](C#N)OC(=O)c1cc2c(Cl)cccc2s1 825218938 MIQMSUMJULBEGB-SSDOTTSWSA-N 265.721 3.624 30 20 CHED CC[C@H](N[C@H]1CCO[C@@H](C(C)C)C1)c1cccc(C#N)c1 902849353 LVBCJJMDDSKJEY-OKZBNKHCSA-N 286.419 3.803 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2F)C1 665150016 AJAYBQDTLCEJIE-JTQLQIEISA-N 298.308 3.924 30 20 CHED Cc1cccc(C)c1COC(=O)CCc1ccc(C#N)cc1 738601969 OBPKHHMTITUBRB-UHFFFAOYSA-N 293.366 3.851 30 20 CHED C=CCCC(=O)Nc1cc(C(C)C)nn1Cc1ccccc1 583092147 HBLDREIUNNWMQQ-UHFFFAOYSA-N 297.402 3.960 30 20 CHED CCc1ccccc1NN=Cc1ccc(OCCOC)cc1 730462824 PYBMVEAJFXZZPW-UHFFFAOYSA-N 298.386 3.720 30 20 CHED Cc1ccc(CNN=C[C@H]2CCOc3ccccc32)cc1 835009506 XMMUXBFURGBHRE-MRXNPFEDSA-N 280.371 3.637 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C1CC1 665899584 ROVRVWGJVDJHPY-MSOLQXFVSA-N 298.430 3.758 30 20 CHED Cc1cc(C)c(NN=C2C[C@@H](C)n3ccnc32)c(C)c1 834960238 JKLARLVNRWAUAS-CYBMUJFWSA-N 268.364 3.589 30 20 CHED C[C@@H](NC(=O)c1sccc1Cl)c1cccc(C#N)c1 586790894 CKPRBUVBQUXYJJ-SECBINFHSA-N 290.775 3.764 30 20 CHED C=CCC[C@@H](C)OC(=O)c1ncccc1SCC 835267567 LJEYOWWEWWZZBC-LLVKDONJSA-N 265.378 3.705 30 20 CHED N#CCCCCCC(=O)N(Cc1ccco1)c1ccccn1 588874069 BHYJLBSJDUPOOQ-UHFFFAOYSA-N 297.358 3.682 30 20 CHED CCCC(=NNCc1ccccc1F)c1ccccn1 835010557 DUGYCTHCGCQMNX-UHFFFAOYSA-N 271.339 3.515 30 20 CHED CC(C)(C)C#CC(=O)NC1(c2ccc(F)cc2F)CCC1 837504255 OLQZVDYTRCQJMN-UHFFFAOYSA-N 291.341 3.510 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 835507236 BWJBYBHFIJSSIM-GDBMZVCRSA-N 293.313 3.825 30 20 CHED Cc1cc(C=NNc2cccnn2)c(C)n1C1CCCCC1 735976414 GFROFEMNLNEVGV-UHFFFAOYSA-N 297.406 3.846 30 20 CHED CCC/C=C\C(=O)[C@H](C#N)c1ccc2ccccc2n1 735203379 FOOWVDDYQIBVDQ-RXTQTKKPSA-N 264.328 3.767 30 20 CHED C=C[C@H]1CCCCN1C(=O)CC[C@@H]1CC1(Cl)Cl 834660603 RHLBKNYGOMIGJH-MNOVXSKESA-N 276.207 3.528 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 586818050 PAFNDSOACNPMSE-XJKSGUPXSA-N 297.402 3.777 30 20 CHED C#CCOc1cccc(NC(=O)C[C@@H](C)c2ccccc2)c1 730978602 WSMVWWUXLLMZQU-OAHLLOKOSA-N 293.366 3.831 30 20 CHED O=C1/C(=C2\COc3ccc(F)cc32)Cc2cc(F)ccc21 734305100 IETVKYCZCMAMOS-CCEZHUSRSA-N 284.261 3.550 30 20 CHED C=CCCCCCN(C)C(=O)/C=C/c1ccccc1 739654338 NGXGKLWUQRCEJV-BUHFOSPRSA-N 257.377 3.905 30 20 CHED C1CCC2(CC1)CCCC2=NNC[C@@H]1CCSC1 834979609 PQYLDETUGQVQRK-ZDUSSCGKSA-N 266.454 3.820 30 20 CHED C[C@@H](Nc1ccc(C#N)cn1)c1nc2ccc(Cl)cc2[nH]1 732568745 JQBXYHFWZMWYSE-SECBINFHSA-N 297.749 3.656 30 20 CHED CCC(=NNc1c(C)cccc1Cl)c1ccn(C)n1 835011768 SZLQQDWYPWWDBC-UHFFFAOYSA-N 276.771 3.608 30 20 CHED C#CCCCCCOC(=O)C[C@@]1(C)CC1(Cl)Cl 835276807 FTVWCZTVNXPSCQ-LBPRGKRZSA-N 277.191 3.697 30 20 CHED CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)C1CCC1 737450735 ZNLUVQBFIWWVOT-UHFFFAOYSA-N 293.823 3.783 30 20 CHED CCc1oc2ccccc2c1C=NN[C@@H](C)C(F)(F)F 834995428 DXHXSVPJUMGTER-VIFPVBQESA-N 284.281 3.870 30 20 CHED C=C[C@H](C)NC(=O)N(C)Cc1ccc(Cl)cc1Cl 674934080 RHGACPOWKOMXGQ-VIFPVBQESA-N 287.190 3.709 30 20 CHED C#C[C@H](NC(=O)Nc1nc(C2CC2)cs1)c1ccccc1 831127082 AVSNTCKBRYKDPR-ZDUSSCGKSA-N 297.383 3.517 30 20 CHED C=CCN(CC=C)C(=O)N[C@@H](CC)c1ccccc1OC 916493950 SJTWZMBJYMXAFI-HNNXBMFYSA-N 288.391 3.530 30 20 CHED C#C[C@H](NC(=O)N(CC)[C@H](C)c1ccc(F)cc1)C(C)C 838596527 RDZOBFUEOCJYCS-CJNGLKHVSA-N 290.382 3.576 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@@H](C1CCCCC1)C1CCC1 592080118 OALYFHYVNNSANL-BBRMVZONSA-N 291.439 3.536 30 20 CHED CCC(=NNc1nc2ccccc2[nH]1)c1cccs1 915915532 RVAUTDPNSXLITA-UHFFFAOYSA-N 270.361 3.851 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc2cc(Cl)ccc2s1 598850341 YUHDAJKJSMNLJI-LLVKDONJSA-N 292.791 3.929 30 20 CHED CC(C)c1ccc(NC[C@@H](O)CC(C)(C)C#N)cc1 598726861 WHBCXDQZQKOSQS-HNNXBMFYSA-N 260.381 3.523 30 20 CHED COc1ccc(O)c(/C=N\CCc2ccc(Cl)s2)c1 915982939 JIRJNVCNCORYOV-SXGWCWSVSA-N 295.791 3.777 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C2CCCC1CCC2 593986393 YOFWFWLOMPJPAE-NNGSBXSVSA-N 296.414 3.670 30 20 CHED CCN(CCC#N)[C@H](C)Cc1ccc(C(F)(F)F)cc1 595869153 VNBMOXZAEQSEGF-GFCCVEGCSA-N 284.325 3.872 30 20 CHED C(=NOCc1cccnc1)c1ccc(N2CCCCC2)cc1 746585893 OOUQQAAVXFJOJF-UHFFFAOYSA-N 295.386 3.623 30 20 CHED C[C@@H](NN=C1CCC[C@H]1Cc1ccccc1)C(F)(F)F 835000690 LUPRREFTTAYUSX-YPMHNXCESA-N 284.325 3.926 30 20 CHED CC(C)CC[C@@H]1CCC(=NOC[C@H]2CCOC2)C1 834973574 PEYMFNOCTPSKTA-KGLIPLIRSA-N 253.386 3.632 30 20 CHED Cc1cccc(C)c1OC(=O)c1cccc(CC#N)c1 915802387 PCPPQBGVOBRIDF-UHFFFAOYSA-N 265.312 3.589 30 20 CHED Cc1ccccc1/C=C\C(=O)c1ccc(O)c([N+](=O)[O-])c1 749589926 KOIMTDBQDSWQAI-VURMDHGXSA-N 283.283 3.505 30 20 CHED COc1ccc(C(C)=NOCc2ccc(F)cc2)cc1 917398688 FRNGOHIIIQPWFX-UHFFFAOYSA-N 273.307 3.775 30 20 CHED c1ccc2c(c1)CSCC2=NNc1nc2ccccc2[nH]1 915936712 BKBURRZYYDMVHY-UHFFFAOYSA-N 294.383 3.626 30 20 CHED COCC1(CC/N=C/c2cc3ccccc3nc2O)CCC1 840706483 NISBRAYGOMQPRF-XDHOZWIPSA-N 298.386 3.566 30 20 CHED CC[C@H](C#N)N(C)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 594097378 MOEOQJRISVYOFS-MWLCHTKSSA-N 299.201 3.857 30 20 CHED CSc1ccc2c(c1)C(=O)/C(=C\c1c(C)n[nH]c1C)CC2 843272685 MPBGTPTZYRZVPY-JYRVWZFOSA-N 298.411 3.961 30 20 CHED C=CCOc1ccccc1C(=O)OCC/C=C/CC 918508591 ZLJCQNUZNIUTAC-AATRIKPKSA-N 260.333 3.765 30 20 CHED C=C(C)CCOC(=O)c1ccc2nc(CC)c(CC)nc2c1 744305136 OOAARZHLGWVHEO-UHFFFAOYSA-N 298.386 3.878 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cccc2c1OCO2 915986775 CABFPQMHURJTKI-VQHVLOKHSA-N 296.322 3.628 30 20 CHED CCCC(=NNc1nc(-c2cccnc2)no1)[C@H]1CC1(C)C 841641332 UQIUNRUNEOZWOJ-GFCCVEGCSA-N 299.378 3.746 30 20 CHED C[C@@H](OC(=O)CCCc1cccnc1)c1cccc(C#N)c1 849860351 BECYGQQSAINOMJ-CQSZACIVSA-N 294.354 3.580 30 20 CHED CC1(C)C[C@H](C/N=C/c2cc(Cl)ccc2O)CCO1 840711614 XZCKYWPMQIWDMB-JDAJCMJVSA-N 281.783 3.670 30 20 CHED C#C[C@@H](OC(=O)C1(F)CCCCC1)c1ccc(F)cc1 842409031 YLWCQXZHWWARMA-CQSZACIVSA-N 278.298 3.716 30 20 CHED CCC(C#N)(CC)C(=O)NC[C@@H](C)Sc1ccccc1 599610340 GNYDLEAQVZPYRZ-CYBMUJFWSA-N 290.432 3.613 30 20 CHED C=C(C)CCOC(=O)CCOc1c(C)cccc1C 744303240 SKZUGYNQMOFMAU-UHFFFAOYSA-N 262.349 3.582 30 20 CHED COCc1cccc(C=NNc2ccc3ccccc3n2)c1 743421095 OGEZWTAQRMBKGC-UHFFFAOYSA-N 291.354 3.827 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC[C@H]1CC 685541220 JTNYRFWLBYDDAC-CQSZACIVSA-N 274.412 3.501 30 20 CHED C=CCN(C(=O)N[C@H](C)CCCC(C)C)C(C)C 918056356 VEUJCLPEXRDBKV-CQSZACIVSA-N 254.418 3.807 30 20 CHED C=CCCCCCN[C@@H](Cn1cccn1)c1ccccc1 683784554 IOMMZEUUHDAPOY-SFHVURJKSA-N 283.419 3.960 30 20 CHED C=C[C@H](C)ONC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 846548443 OBMASSXSCJTIGQ-JYJNAYRXSA-N 297.439 3.764 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](C)C[C@H]1c1ccccc1F 743010864 ZKODBVJPTMAAHG-WFASDCNBSA-N 292.423 3.659 30 20 CHED CC#CCCCc1nc(-c2cccc(OC(C)C)c2)no1 685275270 JSNPENCGZASCJJ-UHFFFAOYSA-N 284.359 3.870 30 20 CHED CN(C[C@@H]1CC1(C)C)C(=O)Nc1ccc(C#N)cc1Cl 596802686 UNEJFRBMHWHPCI-NSHDSACASA-N 291.782 3.721 30 20 CHED CCC[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)C1CCC1 590928127 PYENEKSFTFAKNY-GUYCJALGSA-N 299.418 3.887 30 20 CHED N#Cc1ccc(N(C(=O)C[C@H]2C=CCC2)C2CCC2)cc1 598884353 DVRWQCATRFZSGP-AWEZNQCLSA-N 280.371 3.800 30 20 CHED Cc1cccc(CC2CN(Cc3cccc(C#N)c3)C2)c1 590967281 ZMBNSVHMYBUJHM-UHFFFAOYSA-N 276.383 3.541 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC1CC(C(F)F)C1 841893525 GMMLLXPGQXIGJA-SSDMNJCBSA-N 276.330 3.569 30 20 CHED CC(C)(C)SCCSc1cccnc1C#N 848437931 GGZUADAKELGFMX-UHFFFAOYSA-N 252.408 3.577 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1ccc2ccncc2c1 845525600 KHXPCHLIDXOHQU-GOSISDBHSA-N 299.370 3.620 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCc2cc(F)ccc2[C@H]1C 684928877 DJJNNUFRGOQZDV-IUODEOHRSA-N 290.382 3.809 30 20 CHED Cc1cc(C)cc(C=NNc2nncc3ccccc23)c1 921251220 FOJYLOAPGLFWNY-UHFFFAOYSA-N 276.343 3.693 30 20 CHED Clc1cccc(CNN=Cc2cccc3[nH]ccc23)c1 755770085 JOYGXCSGXPUCKC-UHFFFAOYSA-N 283.762 3.945 30 20 CHED C=C(Cl)CSCC(=O)N(C)[C@@H](C)c1ccccc1 853784192 YUILKYJOLOEXLK-LBPRGKRZSA-N 283.824 3.692 30 20 CHED CCC(Cc1ccc(C)cc1)=NO[C@@H]1CCCCO1 755823718 NQUUOKMNLRGHBP-MRXNPFEDSA-N 261.365 3.847 30 20 CHED Cc1ccc(C(=O)/C=C/c2cnc3c(C)cccn23)c(O)c1 757476301 PNELOCGRKZLZGU-SOFGYWHQSA-N 292.338 3.553 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)OCC1(CC#N)CC1 752509660 SNKCHCKOAURXBE-ZDUSSCGKSA-N 263.381 3.830 30 20 CHED C=C(Cl)CSCC(=O)Nc1cccc(C)c1C 853783751 YCGOMOVNZVJTDN-UHFFFAOYSA-N 269.797 3.728 30 20 CHED Cc1cc(C)c(NC(=O)c2ccc(C#N)c(Cl)n2)c(C)c1 752976620 OTHFYUKASRILNR-UHFFFAOYSA-N 299.761 3.784 30 20 CHED CCC(C)(C)c1noc(-c2cc(C#N)ccc2C)n1 924157973 FMXARCNTKZYPMB-UHFFFAOYSA-N 255.321 3.604 30 20 CHED C#CC[C@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 757576379 DIBVTPLXNZTOLS-SFHVURJKSA-N 295.357 3.639 30 20 CHED C=CCNC(=S)N(Cc1ccc2ccccc2c1)C1CC1 920076940 ZNDNUGOPAFQNDK-UHFFFAOYSA-N 296.439 3.865 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccccc1OCCF 926501243 ITWLHWJVIIKBOT-LBPRGKRZSA-N 264.344 3.775 30 20 CHED CC(C)N(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C(C)C 857584414 LOAFMEVZFFCQPZ-UHFFFAOYSA-N 297.320 3.702 30 20 CHED C=C1CN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 929094827 CZQBAUHTVFTCBO-UHFFFAOYSA-N 290.672 3.763 30 20 CHED Oc1ccc(C=Nc2cccc3ccsc23)c(O)c1O 751523527 NTHDIVGVFDRJKD-UHFFFAOYSA-N 285.324 3.769 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(N)cc1C 758111870 ZXYPLKFTOLAJSY-UHFFFAOYSA-N 293.292 3.831 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(C(=O)O)ccc1Cl 851626076 FHBUCMNTLKAICQ-UHFFFAOYSA-N 295.766 3.513 30 20 CHED C=CCC(CC=C)C(=O)OCc1c(F)cccc1[N+](=O)[O-] 759008871 CQTFLDNPPRWGKY-UHFFFAOYSA-N 293.294 3.546 30 20 CHED CSc1ccc(Cl)c(NC(=O)C#CC(C)C)c1 855284912 GBGGDDJLABMLAV-UHFFFAOYSA-N 267.781 3.660 30 20 CHED C#CC(=O)N[C@H](c1ccc([C@@H](C)CC)cc1)C(C)C 753918154 XBZZJTWIVYBHGP-GUYCJALGSA-N 257.377 3.647 30 20 CHED CSCCCN(C)CCCCC1(C#N)CCC1 930318254 MUJUAMCCLLROQV-UHFFFAOYSA-N 254.443 3.535 30 20 CHED C#CCCCCNC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 753178812 HWKLETKFYKXLBR-ZWKOTPCHSA-N 298.430 3.816 30 20 CHED C#CCCCN(Cc1nc2ccccc2s1)C1CC1 932397683 XTDUHMMXCNFXJH-UHFFFAOYSA-N 270.401 3.674 30 20 CHED Clc1cccnc1NN=CC1Cc2ccccc2C1 766449373 CQAQJRFCDYKOEQ-UHFFFAOYSA-N 271.751 3.548 30 20 CHED O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)c1ccco1 762304349 ITXKTRHPUCBAIJ-ONEGZZNKSA-N 276.675 3.558 30 20 CHED COc1ccc2nc(NN=C[C@@H](C)CCC#N)c(C)cc2c1 766029650 MUGKVBRUVFWFCS-LBPRGKRZSA-N 296.374 3.889 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 930668796 IXIISOORXHEPEO-ZMSDIMECSA-N 287.403 3.577 30 20 CHED CCSc1ccc(C(C)=NNc2ncc(F)cn2)cc1 760254578 NIXPGBRWZGEPAS-UHFFFAOYSA-N 290.367 3.564 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)CC1=NNc1ccc(C(=O)O)cn1 763377683 STPIMLJTBVRZAL-YPMHNXCESA-N 289.379 3.640 30 20 CHED C=CCN(C(=O)NCc1ccc(NCCC)cc1)C(C)C 765620476 VYZJEJJDOOGELT-UHFFFAOYSA-N 289.423 3.615 30 20 CHED CC(C)[C@@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 768316260 BNNJCZGJBMDQAO-PBHICJAKSA-N 272.392 3.598 30 20 CHED CC#CCCOC(=O)c1ccccc1COC(C)(C)C 760287682 OMQYHBMIWYUJQX-UHFFFAOYSA-N 274.360 3.572 30 20 CHED C=C(CN(C)C)C(=O)Nc1ccccc1Oc1ccccc1 763990774 UTESLZCMYYUBPA-UHFFFAOYSA-N 296.370 3.535 30 20 CHED C=CCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767877778 WRJNDMLUZGLASS-GFCCVEGCSA-N 255.283 3.681 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@@H](C)CCc2ccco2)cc1 764609029 QNANFKONTDXCBV-JKSUJKDBSA-N 297.398 3.964 30 20 CHED CC#CC(=O)Nc1ccccc1NCc1ccccc1C 764648278 JXHGHXODKTYYBU-UHFFFAOYSA-N 278.355 3.569 30 20 CHED CCOc1ccc(O)c(/C=N/C2CCC(F)(F)CC2)c1 761181162 ODUNVOOKBUNRND-VCHYOVAHSA-N 283.318 3.788 30 20 CHED C#CCN(C(=O)N[C@H](CCC)CCc1ccccc1)C1CC1 764723971 FCINAFNOVZHFLE-QGZVFWFLSA-N 298.430 3.595 30 20 CHED N#CC1(OC(=O)c2cc(Cl)cc(Cl)c2F)CCC1 870232118 JFRFPGVHLQHQGS-UHFFFAOYSA-N 288.105 3.736 30 20 CHED COc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)ccc1C 773124781 KRHLWXZAFJPJMK-FNORWQNLSA-N 294.350 3.835 30 20 CHED C#CCCCCC(=O)Oc1ccc(Br)cc1C 773518063 VQSAKZZSNHLBPI-UHFFFAOYSA-N 295.176 3.857 30 20 CHED C#CCN(Cc1ccc(Cl)cn1)[C@H]1CCc2ccccc21 778216718 UTSDUHPMNNZOME-SFHVURJKSA-N 296.801 3.858 30 20 CHED CCc1cnccc1C(=O)/C=C/C1=Cc2ccccc2OC1 776192502 QTTJMUVZEKBXDI-BQYQJAHWSA-N 291.350 3.859 30 20 CHED CCC(CC)CNN=Cc1ccccc1Br 774477446 MSBCJTLYPOBICB-UHFFFAOYSA-N 283.213 3.809 30 20 CHED C=C(CC)COC(=O)c1scnc1C(C)(C)C 773529319 BOWAWHHZKKQVTO-UHFFFAOYSA-N 253.367 3.564 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2c(F)cccc2C1 776798668 MCCJCXDDTDRAFP-UHFFFAOYSA-N 280.346 3.564 30 20 CHED C#CC[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1ccccc1 775401534 UKAWWPBLASHFNP-MSOLQXFVSA-N 299.801 3.728 30 20 CHED CC(=NOC1CCCCC1)c1ccc(Cl)cn1 777458844 KHZYUUHEWTZEJG-UHFFFAOYSA-N 252.745 3.808 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1nc2ccccc2s1 770005070 RTOGWFLJCHHIRE-SRVKXCTJSA-N 271.389 3.639 30 20 CHED CC(CCCC(C)C)=NNc1cccc(S(C)(=O)=O)c1 776262573 JISYTDIGQCRVCA-UHFFFAOYSA-N 296.436 3.704 30 20 CHED Cc1cccc(-c2ccn(CC3(CC#N)CC3)n2)c1 871790607 YNOGPIORIHGEOQ-UHFFFAOYSA-N 251.333 3.552 30 20 CHED Cc1nc(C#N)cc(Oc2ccc(C3CC3)cc2Cl)n1 882400209 WRQOUGKJDDQNCN-UHFFFAOYSA-N 285.734 3.980 30 20 CHED CCCC(CCC)C(=O)OCc1cccc(C#N)c1F 774985457 LSFROVBJANXDOP-UHFFFAOYSA-N 277.339 3.957 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 1120736048 GUSBSYYDAYUTSG-GOEBONIOSA-N 257.377 3.952 30 20 CHED COc1cccc(NN=Cc2c(Cl)cccc2Cl)n1 779819376 ODZBTRXPSJSCEV-UHFFFAOYSA-N 296.157 3.843 30 20 CHED Cc1ccc2[nH]c(C(=O)OCCC(C)(C)C#N)cc2c1 776364659 SPLWBCHFWRYART-UHFFFAOYSA-N 270.332 3.573 30 20 CHED N#C[C@H]1CC[C@@H](NCCc2ccc(Cl)c(Cl)c2)C1 886707754 QJCQOJNDBFXZOI-NWDGAFQWSA-N 283.202 3.818 30 20 CHED C=CCCC[C@@H](N[C@@H]1CCn2ccnc2C1)c1ccccc1 883217242 DZEWDNZTJHXNEM-QZTJIDSGSA-N 295.430 3.885 30 20 CHED C#CCSc1ccc(COC(=O)C(C)(C)C)cc1 788415569 HJFKKDDYYROLCP-UHFFFAOYSA-N 262.374 3.501 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)c1cc2c(F)cccc2s1 787850477 WKMMGQQXEBJENR-HNNXBMFYSA-N 290.363 3.708 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NNCCc1ccccn1 789124134 BCAHFJFZZWMSAZ-UHFFFAOYSA-N 299.393 3.608 30 20 CHED C[C@H]1CCCC(=NNCCc2ccccc2F)[C@H]1C 781125014 IODPZSFZJRZVQA-STQMWFEESA-N 262.372 3.770 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H](F)C(C)C)c1ccccc1 784136391 ZWQZRWFOPBRDGF-CABCVRRESA-N 263.356 3.804 30 20 CHED Fc1ccc(CNN=Cc2sccc2Cl)cc1F 782202734 JWEHZJXMAYVMCH-UHFFFAOYSA-N 286.734 3.803 30 20 CHED C=C(CC)C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 1123944419 YCOYSOYTKBRVGA-UHFFFAOYSA-N 292.766 3.593 30 20 CHED C=CCCCCCOC(=O)[C@@H](C)Oc1ccc(C#N)cc1 782367714 BEZHRISIPQLRFV-CQSZACIVSA-N 287.359 3.615 30 20 CHED C=C1CCC(C(=O)N(CC(C)C)c2cnn(CC)c2)CC1 892541273 XDSHVWIWUAQEAO-UHFFFAOYSA-N 289.423 3.638 30 20 CHED C#CCOc1ccc(CNc2ccc(F)cc2F)cc1 782150445 QHUCKRLDKMOYAL-UHFFFAOYSA-N 273.282 3.589 30 20 CHED N#C[C@H]1CCCN(c2nc(-c3ccc(F)cc3)cs2)C1 895658077 CMYNTFPWVUADSG-LLVKDONJSA-N 287.363 3.689 30 20 CHED C=C[C@](C)(CC)c1nc([C@H]2CC2(Cl)Cl)no1 896810033 KNRYKBQAVJRWLT-GMSGAONNSA-N 261.152 3.585 30 20 CHED C=C[C@](C)(CC)C(=O)O[C@@H]1CCOc2ccc(OC)cc21 786637484 KMMVKKSSXNUMLB-NVXWUHKLSA-N 290.359 3.664 30 20 CHED C[C@]1(c2ccccc2)CCC(=NNCCN2CCCCC2)C1 780211925 LKZNASHCQKQIRM-IBGZPJMESA-N 299.462 3.560 30 20 CHED CC[C@H]1c2ccccc2CN1c1cc(C#N)cc(C)n1 897354771 SZBHRKXUGYZZLF-INIZCTEOSA-N 263.344 3.733 30 20 CHED C=CCC(CC=C)C(=O)OC[C@H]1CCC2(CCCC2)O1 784118624 NLMOFSVCZMIPLV-OAHLLOKOSA-N 278.392 3.790 30 20 CHED O=C(/C=C/c1cnn(CC2CCC2)c1)c1cccc(F)c1 899336310 SAVJHZZWTPSQHT-BQYQJAHWSA-N 284.334 3.718 30 20 CHED CC(C)[C@H](Cc1ccccc1)NC[C@H](C)CCC#N 895748486 YOQVUEPNRCUFPE-WBVHZDCISA-N 258.409 3.783 30 20 CHED COc1cccc(/C=C2\Cc3cc(C)ccc3C2=O)c1F 799892112 FLZFGQISROOHEP-NTEUORMPSA-N 282.314 3.965 30 20 CHED N#Cc1cc(COC(=O)c2ccc(C3CCC3)cc2)ccn1 791620418 PXPZYVFWZLDQOI-UHFFFAOYSA-N 292.338 3.578 30 20 CHED CCC[C@H](Nc1nccc(C)c1C#N)[C@@H](O)c1ccccc1 795210652 XBAWPVHVTOQIQC-IRXDYDNUSA-N 295.386 3.576 30 20 CHED CCCCCCCCCN[C@H](C)c1nc(C)no1 792289941 WLSNRQYIIVWALI-GFCCVEGCSA-N 253.390 3.779 30 20 CHED Fc1cccc(NN=C2CCSc3c(F)cccc32)n1 795006346 GERDTNVJTIGFLV-UHFFFAOYSA-N 291.326 3.672 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1cc(C)ccc1C 797109116 HPBLJHVNQAXFQE-SREVYHEPSA-N 284.311 3.579 30 20 CHED C=CCCCCC[C@H](C)NCc1ccccc1CO 793521702 LOALTBZRDWWSKM-HNNXBMFYSA-N 261.409 3.794 30 20 CHED CC[C@@H](C)NN=Cc1c(Cl)ccc2cccnc12 790182530 KHMXJVZTNNABNS-SNVBAGLBSA-N 261.756 3.610 30 20 CHED C#C[C@H](CCC)NC(=O)Nc1cc(Cl)ccc1C 790604648 VWQQFSWGMDRSJI-GFCCVEGCSA-N 264.756 3.572 30 20 CHED Fc1cccc(NN=Cc2cnc(C3CCCC3)s2)n1 795007980 AZNROWZAVMSZKN-UHFFFAOYSA-N 290.367 3.781 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\C[C@H]1CCSC1 790598511 NMXQNYPZWHSUBK-XYAXYZFDSA-N 290.215 3.871 30 20 CHED Cc1cc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)oc1C 799898397 YMQNJGMYFGDFOR-HJWRWDBZSA-N 292.338 3.978 30 20 CHED CC(C)Cc1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1 790884150 SYBZHBBRFIWMJI-SFHVURJKSA-N 284.403 3.651 30 20 CHED C#Cc1cccc(NC(=S)NN=C2CCC3(CC2)CC3)c1 792635507 JDTVBHGSSPXSEQ-UHFFFAOYSA-N 297.427 3.665 30 20 CHED CC(C)(CC#N)CNC(=O)C1CC(C)(C)CC(C)(C)C1 1524953384 LKRHIYPMDUPSGM-UHFFFAOYSA-N 278.440 3.895 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)c2ccccc2O1 1168184853 WSIZDBMPBBCLGH-UHFFFAOYSA-N 292.382 3.930 30 20 CHED N#Cc1cccc(NCc2cc(F)cc(Cl)c2)c1 83442315 MQXICEMWQATBHM-UHFFFAOYSA-N 260.699 3.963 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc(Br)cn1 393737246 CNSOOUQLFQZGHP-ZYHUDNBSSA-N 283.213 3.849 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Cl)ccc1F 393828525 UUSFDLRRQZIVGN-SNVBAGLBSA-N 255.720 3.564 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@H]1CCCS1 87475421 SSQGQEXLPXIEGL-LLVKDONJSA-N 252.770 3.519 30 20 CHED C#CCOCCN(C)[C@H](C)c1cc(Cl)ccc1Cl 1323094124 RNMFQPYPNVQQPW-LLVKDONJSA-N 286.202 3.636 30 20 CHED N#CCc1cccc(N[C@H]2CCCc3ccc(F)cc32)n1 1321233730 QLYHZDCUNDMYNY-INIZCTEOSA-N 281.334 3.776 30 20 CHED CC(C)(C#N)CCNC(C)(C)COCc1ccccc1 281475571 SBUYFLFSWYDGMS-UHFFFAOYSA-N 274.408 3.511 30 20 CHED Cc1nc(C)c(CN(CCC#N)CC(C)(C)C)s1 172800738 BHQKJIKCBCVXKI-UHFFFAOYSA-N 265.426 3.522 30 20 CHED CC(C)(C)c1ccc(CN2CCC(C#N)CC2)cc1 57906407 LJGACUNAKGNOLL-UHFFFAOYSA-N 256.393 3.720 30 20 CHED CC#CCCNC(=O)c1ccc(OC)c(-c2ccccc2)c1 1320250394 PAVPGHZSRRMNGL-UHFFFAOYSA-N 293.366 3.505 30 20 CHED CCc1ccc(CN(C)c2ccc(C#N)cc2)cc1 59514885 DNRYGPNTCYGWLE-UHFFFAOYSA-N 250.345 3.757 30 20 CHED N#CC1(c2nnc(-c3cccc4ccccc34)o2)CCC1 1326068340 XJLQKUMTLOUYNA-UHFFFAOYSA-N 275.311 3.835 30 20 CHED CC(C)(C)[C@@H](NCc1cccc(C#N)n1)c1cccc(F)c1 1331053532 PLPRKODODFNDAP-KRWDZBQOSA-N 297.377 3.969 30 20 CHED C=CC[C@H]1CCCN(Cc2csc([C@H](C)OC)n2)C1 661381154 WMPMEGPJNDSONT-STQMWFEESA-N 280.437 3.639 30 20 CHED C[C@@H]1CCC[C@H]1Nc1cccc(OCCCC#N)c1 86675033 QYKLDFJISHZLKE-CZUORRHYSA-N 258.365 3.970 30 20 CHED N#CC1(C(=O)Nc2cncc(C(F)(F)F)c2)CCCCC1 1337672505 HPQYVTNDOXPFDF-UHFFFAOYSA-N 297.280 3.513 30 20 CHED Cc1ccc(NN=Cc2nc(-c3ccccc3)c[nH]2)cc1 1338806059 GTAIMANQNLMPIB-UHFFFAOYSA-N 276.343 3.831 30 20 CHED CCc1ccc(-c2nnc(C3(C#N)CCCC3)o2)cc1 1252941568 SDUUSIWELGVOIJ-UHFFFAOYSA-N 267.332 3.634 30 20 CHED C=CCC[C@H]1CCCN1C(=O)[C@H]1CCCC(F)(F)C1 1262809777 PKQZTRQGQQEUTM-STQMWFEESA-N 271.351 3.769 30 20 CHED Cc1c(C(=O)O[C@@H]2CC[C@H](C#N)C2)oc2c(F)cccc12 1342575321 OMYNXCSXYHUSPB-WDEREUQCSA-N 287.290 3.729 30 20 CHED N#CCOc1cccc(CN[C@@H](C2CCCC2)C2CC2)c1 1347935212 JYGNBRSUMMYJDS-SFHVURJKSA-N 284.403 3.647 30 20 CHED CC(C)c1cccc(C(=O)O[C@@H](CC#N)c2ccco2)n1 1346719655 AYPPSTMONDUYQX-HNNXBMFYSA-N 284.315 3.610 30 20 CHED CC[C@H](F)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 1346343908 GOWFHZJYTYHKSR-BDAKNGLRSA-N 296.754 3.874 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ncc(CC)s1 1263639503 FMGDDLYNAAZLNY-LLVKDONJSA-N 279.409 3.668 30 20 CHED Cc1cccc(CCc2nnc(-c3cccc(C#N)c3)o2)c1 1341640731 RWALZWVVWLIRID-UHFFFAOYSA-N 289.338 3.702 30 20 CHED C=C(C)CCC(=O)Nc1ccnn1[C@H](C)CC(C)C 1353687817 JMCIWEHMJUIKIC-CYBMUJFWSA-N 263.385 3.785 30 20 CHED C=C[C@@H](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2o1 1515838140 RVQWPMNWGFQKIZ-NWDGAFQWSA-N 268.316 3.606 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@H]1CC 1295028857 DKHUTXVMEZJCLT-KGLIPLIRSA-N 285.391 3.755 30 20 CHED COc1cccc(CNc2cccc(F)c2C#N)c1C 1458499931 JZYFOMQFGUQJKJ-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CC(C)COc1ccc([C@@H](C)OC(=O)C(C)(C)C#N)cc1 1457196802 ZCGLBJWWLMCYGV-CYBMUJFWSA-N 289.375 3.875 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCSc3ccccc32)C1 1524712095 PVWGKUCUDDSSDO-MBNYWOFBSA-N 287.384 3.501 30 20 CHED C=C(CC)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 1527451722 PUCZJNWZICXBFA-UHFFFAOYSA-N 298.361 3.889 30 20 CHED CC1(C)CCC[C@H](OC(=O)c2cc(C#N)cs2)C1 1524770897 VTFLLUKVXBPNFX-NSHDSACASA-N 263.362 3.745 30 20 CHED N#Cc1c(F)cccc1Sc1ccc2[nH]ncc2c1 1612475486 SWDRSHFQKBEFQM-UHFFFAOYSA-N 269.304 3.725 30 20 CHED CCc1nc2ccc(Nc3ccc(C#N)cn3)cc2s1 1472815444 BIGJYHUPLYGZSM-UHFFFAOYSA-N 280.356 3.869 30 20 CHED Cc1nccc(CSc2ccc(Cl)cc2C#N)n1 1472996943 AFEIWMNVCHDDIX-UHFFFAOYSA-N 275.764 3.602 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)c1nccc2occc12 1617557643 XIHPJXFHMZJYMZ-UHFFFAOYSA-N 297.701 3.605 30 20 CHED COc1cc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)ccc1C#N 1620973175 WPTYUCQITQLCAF-YCPHGPKFSA-N 286.419 3.871 30 20 CHED Cc1cc(NCc2ccc(C#N)cc2F)nc(C2CCC2)n1 1639436916 HVNPTMYDWVBWOG-UHFFFAOYSA-N 296.349 3.675 30 20 CHED CCC[C@H](C)[C@@](C#N)(C(=O)OCC)[C@H](C)CCC 253533294 MSYWRSGZXZMGFD-NHAGDIPZSA-N 253.386 3.932 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2c[nH]c3cccc(F)c23)c1 1639050067 OIHJSANOKPVIGS-UHFFFAOYSA-N 293.301 3.739 30 20 CHED N#Cc1ccnc(CN2CCC[C@H](C3CCCCC3)C2)c1 1560024670 PSSXXODNTGUYKH-KRWDZBQOSA-N 283.419 3.746 30 20 CHED N#CCc1ccc(CN2CCCc3ccccc3CC2)cc1 1645680724 LMAZWJHXPNVKDS-UHFFFAOYSA-N 290.410 3.744 30 20 CHED CC(C)CC[C@H](C)Nc1ccc(Cl)c(C#N)n1 1655038328 MMYPGUJPTQHTDS-JTQLQIEISA-N 251.761 3.843 30 20 CHED Cc1cc(N[C@@H]2C[C@H]2c2ccccc2C)ncc1C#N 1651214077 IYUKJDPOBGGZEL-JKSUJKDBSA-N 263.344 3.538 30 20 CHED N#Cc1c(Cl)nsc1NCc1cccc(F)c1F 1651296549 VIBWPPPSDYDMOC-UHFFFAOYSA-N 285.706 3.558 30 20 CHED Cc1cc(N2CCC[C@@H](CC(C)C)C2)c(C#N)cn1 1651637014 YWESGFFNLBTGOX-AWEZNQCLSA-N 257.381 3.524 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)s1 8080291 KVZCJHXCTOVZMB-VMPITWQZSA-N 272.325 3.651 30 20 CHED CC[C@H]1CCCCC1=NNc1ccc(C(=O)O)c(F)c1 1776074511 FGTQOGLLVGYSTF-JTQLQIEISA-N 278.327 3.892 30 20 CHED CCCCCCC[C@@H](CC(=O)O)NCc1csnc1C 1776784361 BKYXARCUXSERHL-AWEZNQCLSA-N 298.452 3.745 30 20 CHED CC(C)CCC(=NNc1ccccc1C(=O)O)C1CC1 1776030624 XUMOQIQUZIOBQI-UHFFFAOYSA-N 274.364 3.999 30 20 CHED C=CCC1(C=NNc2ccccc2C(=O)O)CCCC1 1776030917 CTNFZJIHVLMDEC-UHFFFAOYSA-N 272.348 3.919 30 20 CHED CCS[C@@H](C)c1noc(CSCCCCC#N)n1 162711193 SYWUIYZVXDHWKE-JTQLQIEISA-N 285.438 3.811 30 20 CHED CC(C)CCN(C)Cc1ccc(C#N)cc1Cl 162877574 ODSWLPUSRLFPBP-UHFFFAOYSA-N 250.773 3.690 30 20 CHED C=C(Br)CN[C@@H](c1ccccc1)C(F)(F)F 158943260 LKTVMKDNLKIPEG-JTQLQIEISA-N 294.114 3.788 30 20 CHED CN(C[C@H]1CCCCO1)c1ccc(C(F)(F)F)c(C#N)c1 164430424 XHAIAZKZFSPTAW-CYBMUJFWSA-N 298.308 3.582 30 20 CHED CCn1nccc1/C=C/C(=O)c1ccc(Cl)s1 152593212 PSDPUVODQNYJTQ-ONEGZZNKSA-N 266.753 3.514 30 20 CHED C=CCCOCCNC(=O)C[C@@H](c1ccccc1)C(C)C 155136690 UJLWYMPVBURERM-QGZVFWFLSA-N 289.419 3.525 30 20 CHED C=CCCCNc1ccc(C(=O)N(CC)CC)cc1 157139628 CISNTLPHFFKPKB-UHFFFAOYSA-N 260.381 3.547 30 20 CHED C=C(Cl)C[S@](=O)[C@H]1CCc2c(Cl)cccc21 154001885 YAPFJSKVCBADNO-BLLLJJGKSA-N 275.200 3.829 30 20 CHED C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 6343179 SZBSCRKMOCWIAB-NSHDSACASA-N 284.746 3.703 30 20 CHED C=CCCCCCCNCc1cccc2nccn12 808419048 LIIPPVNUXGGNFA-UHFFFAOYSA-N 257.381 3.560 30 20 CHED C#Cc1ccc(CNCc2c(Cl)cccc2OC)cc1 809651525 KZFNFGDKOBRVKK-UHFFFAOYSA-N 285.774 3.620 30 20 CHED CCC[C@](C)(O)CNc1ccc(C(F)(F)F)c(C#N)c1 231717279 FJKJSDJSHJBQBL-ZDUSSCGKSA-N 286.297 3.540 30 20 CHED CC(C)(C#N)CCCCN1CCc2ccccc2CC1 232531916 KOUJFOZZNQXTRR-UHFFFAOYSA-N 270.420 3.807 30 20 CHED C=C(Cl)CNCc1cc(Br)ccc1Cl 124295520 XSSCGHGBNIHPIO-UHFFFAOYSA-N 295.007 3.945 30 20 CHED C[C@H](NCCCC(F)(F)F)c1ccc(OCC#N)cc1 130337754 OOFPYDKGZKZNOF-NSHDSACASA-N 286.297 3.582 30 20 CHED N#CCc1ccc(NCc2cc(F)ccc2F)cc1 37071221 WVVCCFVFWXMSDS-UHFFFAOYSA-N 258.271 3.643 30 20 CHED N#Cc1ccc(COc2ccccc2[N+](=O)[O-])c(Cl)c1 162984914 GUWGAUAXJSKBSS-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C=C(C)CCN(C)Cc1ccc(Br)s1 509311023 SGAVUFFGAGYMSQ-UHFFFAOYSA-N 274.227 3.909 30 20 CHED Cc1ccc(NC(=O)Nc2ccc(CC#N)cc2)cc1 48777591 MSUUFDDCSCCQCR-UHFFFAOYSA-N 265.316 3.705 30 20 CHED N#Cc1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1Cl 301671136 QJMSTTMXUISMOB-YUELXQCFSA-N 276.767 3.581 30 20 CHED C[C@@H](CC#N)NC(=O)CCCSc1ccc(Cl)cc1 194669687 WSGXBYAWYOLRRC-NSHDSACASA-N 296.823 3.631 30 20 CHED CCc1nc(C#N)cc(Nc2ccc(C(C)C)cc2)n1 308372364 LMMRODORAIHVMX-UHFFFAOYSA-N 266.348 3.778 30 20 CHED Cc1nc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)cc1C#N 312944100 QEUZYOITVUOHJW-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C)c1ccc(C(=O)OC)o1 411127447 BXSMDXAJIWPZOU-CQSZACIVSA-N 299.370 3.815 30 20 CHED N#CC1(C(=O)N2CCCCCCCC2)CCCCC1 321810431 ATTVSUZGLYGUQY-UHFFFAOYSA-N 262.397 3.643 30 20 CHED C[C@H]1CC[C@H](N(C)c2nc(C(F)(F)F)ccc2C#N)C1 428672593 MEOYRKGRWGFMRN-ONGXEEELSA-N 283.297 3.597 30 20 CHED COc1ccc(CN2CCCCC(C)(C)C2)cc1C#N 438351158 CMDVIXXEAXIBOG-UHFFFAOYSA-N 272.392 3.579 30 20 CHED C[C@@H](O)CN(CCCCC(C)(C)C#N)Cc1ccccc1 573886144 OFNLEUXTJJEPCR-MRXNPFEDSA-N 288.435 3.589 30 20 CHED CC[C@@](C)(C#N)C(=O)NC1CCC2(CCCCC2)CC1 586810677 ONUFIWOTPLRFQS-INIZCTEOSA-N 276.424 3.936 30 20 CHED C[C@@H](COCc1ccccc1)CSCCCC#N 902547461 ABALXMKZPLGJOF-AWEZNQCLSA-N 263.406 3.876 30 20 CHED CC(C)CC1(C(=O)N2CCC(CC#N)CC2)CCCC1 397195359 NMPHDZDJOWNIGB-UHFFFAOYSA-N 276.424 3.745 30 20 CHED N#Cc1cc(SCc2ccccc2Cl)ccn1 5933908 JBTVQCFYDIZBIR-UHFFFAOYSA-N 260.749 3.899 30 20 CHED C=CCSc1nc2ccccc2n1CN1CCCCC1 6855287 OWRHRLSWOPMRTP-UHFFFAOYSA-N 287.432 3.758 30 20 CHED Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C#N)cc2)c1 14573649 JMAFSFIAHQAIFS-CQSZACIVSA-N 278.355 3.666 30 20 CHED C[C@H](NC[C@@H](c1cccs1)N(C)C)c1ccc(C#N)cc1 20147601 SFJIOCMBNZHZDE-BBRMVZONSA-N 299.443 3.573 30 20 CHED Cc1ccccc1/C=C1/COc2ccccc2C1=O 33626220 IQROBMYTWVQXKM-UVTDQMKNSA-N 250.297 3.654 30 20 CHED N#Cc1ccccc1OCc1cc([N+](=O)[O-])ccc1Cl 36964938 KAONSXYATREPPE-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CCN(Cc1cccs1)Cc1cc(C#N)ccc1F 42316487 XJYUGRBUXWYDSR-UHFFFAOYSA-N 274.364 3.781 30 20 CHED C=C(Br)CNc1nc2ccccc2s1 49281979 KWFLNRKHFGZSPX-UHFFFAOYSA-N 269.167 3.617 30 20 CHED C=C(Br)CNC1CCC(CCC)CC1 49545326 BTXMQLYPRPCBAG-UHFFFAOYSA-N 260.219 3.844 30 20 CHED C#Cc1cccc(NC(=O)c2cccc(OCCC)c2)c1 57809333 KGZIOOWKGHHDSL-UHFFFAOYSA-N 279.339 3.709 30 20 CHED Cc1ccc(/C=C/C(=O)c2cccc(C#N)c2)s1 59270207 YECZIAONUKAFTG-BQYQJAHWSA-N 253.326 3.824 30 20 CHED C=CCSc1nnc(-c2cccs2)n1C1CC1 60990609 XEMCSWDCRLUAKZ-UHFFFAOYSA-N 263.391 3.620 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2ccsc2)cc1OC 66746297 MXNJRVLNMKIPTP-SNAWJCMRSA-N 288.368 3.970 30 20 CHED C[C@@H]1CN(Cc2ccccc2C#N)[C@H](c2ccccc2)CO1 76148203 LSKNQZIEYAGZSO-BEFAXECRSA-N 292.382 3.520 30 20 CHED CC(C)(NCc1ccc(C#N)cc1)c1cccc(F)c1 76901824 UACFOSJUOVCDJU-UHFFFAOYSA-N 268.335 3.722 30 20 CHED C#Cc1cccc(N(C(=O)c2cccnc2Cl)C(C)C)c1 77293893 WAYDCPXUMWZSLA-UHFFFAOYSA-N 298.773 3.772 30 20 CHED N#Cc1ccc(NCCOC2CCC2)cc1C(F)(F)F 78517262 VHRZLGWJAMBUST-UHFFFAOYSA-N 284.281 3.558 30 20 CHED CC(C)[C@@H](C#N)NC(=O)C1CCC(c2ccccc2)CC1 80165852 HADMJCVLEQARMK-OFLPRAFFSA-N 284.403 3.625 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CC=CCC2)n1 80459086 PQWXQKZULIVZCK-RYUDHWBXSA-N 274.389 3.799 30 20 CHED CCCn1ccc2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc21 86298093 VVGUKTOZCDDCTM-ZDUSSCGKSA-N 298.390 3.817 30 20 CHED N#Cc1csc(CNc2ccc(F)cc2OC(F)F)c1 89793651 PKKGBEIBOLPLPV-UHFFFAOYSA-N 298.289 3.972 30 20 CHED CCN(C(=O)[C@@H](C)C(C)C)c1ccc(C#N)c(Cl)c1 91206377 DJICQWNAOLLFIQ-NSHDSACASA-N 278.783 3.857 30 20 CHED Cc1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccccc2)o1 92849442 GGJHIEZMEAVLIY-MDZDMXLPSA-N 292.338 3.885 30 20 CHED N#Cc1csc(CNCc2ccc(F)c(Cl)c2)c1 93492593 AQXXBHHWGRISJJ-UHFFFAOYSA-N 280.755 3.702 30 20 CHED CCN(Cc1cccs1)c1cccc(F)c1C#N 105791499 HNZHJTAWBSFTQD-UHFFFAOYSA-N 260.337 3.785 30 20 CHED COc1ccc(CN(CCC#N)CC(C)(C)C)cc1F 109813110 QVMJFEXSOIKPIU-UHFFFAOYSA-N 278.371 3.596 30 20 CHED C#Cc1cccc(N(C)C(=O)C2(c3cccc(F)c3)CC2)c1 115060975 KZJRUVYCWQBLJU-UHFFFAOYSA-N 293.341 3.502 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(N2CCCCC2)cc1 116996579 XHXSIZHTNZAIQP-CQSZACIVSA-N 287.407 3.763 30 20 CHED CCSc1ccc([C@@H](C)NC(=O)C2(C#N)CCC2)cc1 120173598 DPBHECLIVPKLMU-GFCCVEGCSA-N 288.416 3.670 30 20 CHED C=CCn1c(SCCCCC#N)nnc1-c1ccco1 127807812 BVWOCRADIVZBFQ-UHFFFAOYSA-N 288.376 3.510 30 20 CHED CCCCCCCCCNC(=O)Nc1cc(C)nn1C 132420842 JNYUQCPBVREBQA-UHFFFAOYSA-N 280.416 3.601 30 20 CHED COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1C#N 132534217 MKCPDOWOVAPTOZ-QHHAFSJGSA-N 299.276 3.741 30 20 CHED C=CCN(CC=C)C(=O)CSc1nccc2ccccc12 132872104 YXFMIIGTNOPGEW-UHFFFAOYSA-N 298.411 3.528 30 20 CHED N#Cc1ccc(C(=O)/C=C/c2c(F)cccc2F)s1 134510458 MPUIAJLDSNRQFN-AATRIKPKSA-N 275.279 3.794 30 20 CHED O=C(/C=C/c1ccc(O)cc1)c1c(Cl)nc2ccccn12 150955390 CIMVWLHPRYHMMR-RMKNXTFCSA-N 298.729 3.589 30 20 CHED COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(C#N)cc1 154334397 GMOFOIBXYXWJOQ-ACJLOTCBSA-N 292.382 3.905 30 20 CHED Cc1cccc2c(CCC(=O)O[C@@H](C#N)C(C)(C)C)c[nH]c12 154365812 NRTLXVKTAHMZPV-HNNXBMFYSA-N 298.386 3.890 30 20 CHED C=C[C@@H](C)N[C@H](C)c1cc(Br)ccc1F 157261816 GQWVKFGSCLEOMN-RKDXNWHRSA-N 272.161 3.813 30 20 CHED N#Cc1cc(CSc2nncc3ccccc23)ccc1F 158466645 NXTVQJDXIDQVJT-UHFFFAOYSA-N 295.342 3.933 30 20 CHED CC(C)C[C@@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 160880233 GPJFBUWQUFHSRL-GDBMZVCRSA-N 287.407 3.765 30 20 CHED CCSCC[C@@H](C)N(C)Cc1cc(F)ccc1C#N 160905012 AJUUYGWMDGSJAA-GFCCVEGCSA-N 280.412 3.661 30 20 CHED C=C(C)CNC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 161023475 JELOACNXWNXCPG-HOTGVXAUSA-N 281.440 3.834 30 20 CHED C=C(C)COCCN[C@H](CC)c1cccc(Cl)c1 163513541 RELSZLJSMVIKCE-OAHLLOKOSA-N 267.800 3.973 30 20 CHED COc1ccc([C@@H](C)NCc2ccc(C#N)cc2C)cc1 165339559 XIZFVAJTOHQHLV-CQSZACIVSA-N 280.371 3.726 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1(c2ccccc2C)CC1 170706523 KALDXJYDBNTMOV-UHFFFAOYSA-N 290.366 3.845 30 20 CHED C=CCCCC(=O)NCC(C)(C)c1ccccc1C 175506184 TWJIJRSLUZUQSQ-UHFFFAOYSA-N 259.393 3.745 30 20 CHED C=CCCCC(=O)NC[C@@H](C)Oc1cccc(Cl)c1 175968275 VPMVDLQQJFNKKX-GFCCVEGCSA-N 281.783 3.580 30 20 CHED C/C(=C\C(=O)N(C)[C@H](C)CC#N)c1cccc(Cl)c1 176239472 OYORNACDISKPFU-LMMOQWNQSA-N 276.767 3.504 30 20 CHED C=C(C)CS[C@H](C)C(=O)N(CC)c1ccccc1 177864177 SHXPSVLGSAJBQY-CYBMUJFWSA-N 263.406 3.737 30 20 CHED CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1 177905935 RUCANUKWQRQPLE-GFCCVEGCSA-N 289.354 3.741 30 20 CHED Cc1ccnn1-c1ccccc1NCc1cccc(C#N)c1 181899532 PXNGFCKHGZUZRA-UHFFFAOYSA-N 288.354 3.665 30 20 CHED CC(C)[C@H](C)CC(=O)Nc1ccccc1O[C@H](C)C#N 182123298 DZGDFDGEGPWJEC-CHWSQXEVSA-N 274.364 3.598 30 20 CHED C[C@@H](C1CCCCC1)[C@@H](C)NCCCSCC#N 185498783 IVBGJUPEUXZTFO-ZIAGYGMSSA-N 268.470 3.828 30 20 CHED C=C(C)CN[C@H](CC)c1nc(C(F)(F)F)cs1 185941917 AGCTUVDVGFGNNX-MRVPVSSYSA-N 264.316 3.779 30 20 CHED C=C(C)[C@H](NC(=O)N[C@@H](C)CC)c1ccc(F)c(F)c1 187044195 OUVNMIQVIPLQNW-HZMBPMFUSA-N 282.334 3.680 30 20 CHED C=CCC[C@@H](CC)Nc1ccc(OC2COC2)cc1 188641649 OXYAQQSNHQYVJH-CYBMUJFWSA-N 261.365 3.621 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cccc(Cl)c1O 189033989 JHWHJDHTOMJJMT-ZDUSSCGKSA-N 253.729 3.586 30 20 CHED N#Cc1cccc(CNCc2ccc(OCC3CC3)cc2)c1 190749880 GMBMKYYMYLBYPO-UHFFFAOYSA-N 292.382 3.637 30 20 CHED N#CCCCSCc1csc(-c2ccco2)n1 190897825 ZMWVMWWJBSRIKP-UHFFFAOYSA-N 264.375 3.940 30 20 CHED CC(=O)c1sccc1OCc1ccc(F)c(C#N)c1 191501789 DLVSGOMPMGYAPM-UHFFFAOYSA-N 275.304 3.540 30 20 CHED N#C[C@H]1CC[C@@H](OC(=O)c2ccc(C3CCC3)cc2)C1 192263126 NVKONJWWRFAJCX-BLLLJJGKSA-N 269.344 3.803 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2)C1 192623209 QAFMPXGXIVULGT-OCCSQVGLSA-N 282.309 3.877 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccccc2OCC(F)F)C1 193096187 CZORDSQPMIOGQX-VXGBXAGGSA-N 280.318 3.825 30 20 CHED C#CCN(CC)[C@H](C)c1cccc(C(F)(F)F)c1 195732880 SQLUODWASIRWNH-LLVKDONJSA-N 255.283 3.722 30 20 CHED Cc1ccc(C(=O)/C=C\c2nccn2CC(F)(F)F)cc1 209320683 FJMUIVMQYZDUEL-SREVYHEPSA-N 294.276 3.650 30 20 CHED C#CCCCNc1nccc2c(Br)cccc12 220028264 NVSCQPYWTWPZKO-UHFFFAOYSA-N 289.176 3.823 30 20 CHED N#Cc1cc(NCC[C@H]2CCCCO2)ccc1C(F)(F)F 231719021 ADTOHPYCXXGFJR-CYBMUJFWSA-N 298.308 3.948 30 20 CHED C[C@H](CC(F)(F)F)Nc1ccc(C#N)c(Cl)c1 231750170 RDORVZCOSZBEHJ-SSDOTTSWSA-N 262.662 3.964 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)c([N+](=O)[O-])c2)s1 254948642 YLOMCEDXVKWVSJ-ALCCZGGFSA-N 289.312 3.566 30 20 CHED C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccsc2)cc1 255387642 YFVHLFJSXRAODQ-DJFZKKHWSA-N 283.352 3.935 30 20 CHED C=CCCC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 263703698 UWUQFCPMYUCQPZ-SWLSCSKDSA-N 273.376 3.860 30 20 CHED N#CCCCCN[C@H](c1ccccc1)C(F)(F)F 263805862 LIDGDPTTZUPULK-GFCCVEGCSA-N 256.271 3.573 30 20 CHED CO[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 271916332 GIJASDUNEGYLPL-ACJLOTCBSA-N 298.361 3.736 30 20 CHED Cc1nc(C(C)C)sc1[C@H](C)NCCCC#N 273254255 LLVXHIIIPMUFJD-JTQLQIEISA-N 251.399 3.529 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccccc2C(F)(F)F)C1 274176172 DBHMTXICXDZCRB-WCQYABFASA-N 282.309 3.877 30 20 CHED N#Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)c(Cl)c1 275024460 IWMTYSPBTWUVBK-LLVKDONJSA-N 274.751 3.897 30 20 CHED C[C@@H](CCC#N)N[C@@H](c1ccc(F)cc1)C1CCC1 276273879 DMYMAJFMMPRSBG-BLLLJJGKSA-N 260.356 3.949 30 20 CHED N#Cc1ccc(NC[C@@H]2CCO[C@H]2c2ccccc2)cc1 277001663 ICCGJAPNNMQFPP-WMZOPIPTSA-N 278.355 3.748 30 20 CHED CC[C@@H](C)Oc1cccc(NC(=O)CC(C)(C)C#N)c1 278173933 BRQJXNFSQPTNDZ-GFCCVEGCSA-N 274.364 3.742 30 20 CHED C=CCCCCCOc1ccc(-c2nnco2)cc1 278345028 YRDYMLVCEAVUFI-UHFFFAOYSA-N 258.321 3.862 30 20 CHED Cc1nc(CSCCCC2(C#N)CCOCC2)cs1 281914612 PZTIKAPMJWZJQJ-UHFFFAOYSA-N 296.461 3.785 30 20 CHED C#CCCCC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 286052463 QLWOHXCJKFPAJC-LJQANCHMSA-N 283.415 3.760 30 20 CHED N#Cc1ccnc(NCc2ccccc2N2CCCCC2)c1 286083435 BUDMVKLDVJXFEE-UHFFFAOYSA-N 292.386 3.556 30 20 CHED CSc1cccc(F)c1CN[C@H]1CCC[C@H](C#N)C1 287551330 PSWQMNWPOWVWNF-RYUDHWBXSA-N 278.396 3.720 30 20 CHED Cc1c(NCCC(C)(C)C#N)cccc1C(=O)N1CCCC1 288668403 HJUAYXMYBLXVPN-UHFFFAOYSA-N 299.418 3.583 30 20 CHED C=CCCCN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 292727324 MKNBMMNTQGHGFG-AWEZNQCLSA-N 288.391 3.650 30 20 CHED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCCC#N 292765731 WKUBZZJFSWTNJZ-UHFFFAOYSA-N 285.174 3.646 30 20 CHED N#CCC[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccccc1 295787737 RWHARSZXQGULAC-SJORKVTESA-N 284.403 3.723 30 20 CHED C=C(C)CN(CC)C(=O)NCCc1c[nH]c2cc(C)ccc12 299614179 SUQNLTHSWJZYFR-UHFFFAOYSA-N 299.418 3.626 30 20 CHED N#Cc1nc(N2CCCc3ccccc3C2)ccc1Cl 301186678 VFLCBJMIECNBEP-UHFFFAOYSA-N 283.762 3.559 30 20 CHED CN(C)[C@@H](CNc1cc(Cl)ccc1C#N)c1ccco1 301211425 VKKBFDQJCTVDRD-AWEZNQCLSA-N 289.766 3.519 30 20 CHED CCS[C@@H]1CCCCN(c2cccc(F)c2C#N)C1 301278274 ZLAMGBNVMWCLLD-GFCCVEGCSA-N 278.396 3.809 30 20 CHED C=CCc1cc(CNc2cc(C)ccn2)cc(OC)c1OC 301637837 LGFGAGSYDGPGDR-UHFFFAOYSA-N 298.386 3.748 30 20 CHED C=C[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 301847670 BVDRVTNUSLXJDO-LLVKDONJSA-N 269.304 3.643 30 20 CHED COc1cc(CNc2cc(C(C)=O)ccc2C#N)ccc1C 302089693 GHRQHRZPTWCXDH-UHFFFAOYSA-N 294.354 3.690 30 20 CHED N#Cc1cccc(C#N)c1NCCc1c[nH]c2ccccc12 302471544 UKWQIUGCZWYTED-UHFFFAOYSA-N 286.338 3.566 30 20 CHED C=C[C@@H](Sc1ccc2ccccc2c1)C(=O)OC 302483768 YYKTVLFGZJMUNA-CQSZACIVSA-N 258.342 3.660 30 20 CHED N#Cc1ccc(F)c(CSC2(CO)CCCCC2)c1 313154390 WVPSPKSYFRPTJW-UHFFFAOYSA-N 279.380 3.626 30 20 CHED CCc1ccc(CNc2cccc(CC#N)c2)cc1 313479377 NPILAMAYWJERFJ-UHFFFAOYSA-N 250.345 3.927 30 20 CHED CCS[C@@H]1CCCC[C@@H]1/N=C(/O)[C@@H]1C[C@H](C)CC(O)=N1 328929512 YOYPRSQAQYQBEM-ZDEQEGDKSA-N 298.452 3.762 30 20 CHED O/C(=N/CCOc1ccc(Cl)cn1)[C@H]1CC12CCCC2 329894286 BEKRPUZCQSYRPX-GFCCVEGCSA-N 294.782 3.651 30 20 CHED N#C[C@H]1CC[C@H](N2CCC(c3ccsc3)CC2)C1 334342532 PYNRMERUEYJJEJ-WFASDCNBSA-N 260.406 3.620 30 20 CHED Cc1ccc(F)cc1NC(=O)c1cc(C#N)ccc1Cl 335133837 KGKJDNLDGYCKIE-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C[C@H]1CN(C(=O)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 335557624 HFJYZRAQSHHWAF-HOCLYGCPSA-N 282.387 3.680 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cnc(-c2ccccc2)nc1C 337090819 KHHGJHKALYHJJJ-OAHLLOKOSA-N 295.386 3.537 30 20 CHED N#Cc1ccnc(NCCc2cc(F)ccc2F)c1Cl 342825621 QGCLZWGCWWVUEE-UHFFFAOYSA-N 293.704 3.539 30 20 CHED N#CC1(CN2CCC[C@H]2c2ccccc2Cl)CC1 343165358 ZDAFZTFYUPARKK-AWEZNQCLSA-N 260.768 3.781 30 20 CHED C=CCCC[C@@H](C)NC(=O)C[C@H](OCC)C1=CCCC1 343263951 ZAEGYIOKJXSGKR-ZBFHGGJFSA-N 279.424 3.753 30 20 CHED C=CCCN(C)Cc1cccc(OCC)c1OC(F)F 343465412 HRQBPHDWALXWSS-UHFFFAOYSA-N 285.334 3.695 30 20 CHED CC[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 343819846 OLINJIMKPRSBCI-GOSISDBHSA-N 264.372 3.994 30 20 CHED CCOc1ccc(C#N)cc1NCc1ncc(CC)s1 346294056 CGVLYAJBLPVBSU-UHFFFAOYSA-N 287.388 3.588 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(COCc2ccccc2)cc1 346380345 MPLHWUNMIGOEAN-CQSZACIVSA-N 294.354 3.502 30 20 CHED C=CCOCCCN1CC[C@@H](C)C[C@@H]1c1ccco1 348053875 WXRHQZXXFJADIT-HUUCEWRRSA-N 263.381 3.645 30 20 CHED C=CCOCCCN(CC)Cc1c[nH]c2ccccc12 348191366 CTJGKPOMULKZQH-UHFFFAOYSA-N 272.392 3.583 30 20 CHED Cc1ccc(F)c(NCc2cn3ccccc3c2C#N)c1 349765841 UIPZWELIHRHTCL-UHFFFAOYSA-N 279.318 3.871 30 20 CHED C=CC[C@@H]1N(C(=O)c2c(C)nsc2C)CCCC1(C)C 351108795 NHCFHNRHYKXQOM-ZDUSSCGKSA-N 292.448 3.967 30 20 CHED C[C@H]1CCC[C@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 356369905 QQTXDASIRAJFFJ-JSGCOSHPSA-N 287.407 3.880 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2cccc(F)c2F)CC1 356629798 WEBAXMGUOLXDRX-NSHDSACASA-N 279.330 3.888 30 20 CHED C=CCC(CC=C)c1nc(-c2ccc3nc[nH]c3c2)no1 356997845 XIRSSBHCWWJOFT-UHFFFAOYSA-N 280.331 3.849 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCCc2ccc(F)cc21 357473731 MFSSLAGAPAWTTJ-RDJZCZTQSA-N 275.367 3.922 30 20 CHED CC[C@@H](CC#N)NCc1cccc(-c2ccncc2)c1 358258756 RAIGHHSYZHLMCP-KRWDZBQOSA-N 265.360 3.530 30 20 CHED C=C(CC)CSCCC(=O)Nc1ccccc1F 358636399 LPNNLYKOBHQQGD-UHFFFAOYSA-N 267.369 3.854 30 20 CHED C=CCC[C@H](CCC)N[C@H](CCO)c1ccccc1 360238276 MIBPBVLREMDINJ-DLBZAZTESA-N 261.409 3.835 30 20 CHED Cc1nsc(Nc2ccc(-c3cncnc3)cc2)c1C#N 360910903 ZSIPPNIEKOBJJS-UHFFFAOYSA-N 293.355 3.524 30 20 CHED N#Cc1ccc(SCCCc2ccsc2)nc1 360950026 VYORZEUASGSQJQ-UHFFFAOYSA-N 260.387 3.740 30 20 CHED N#Cc1ccccc1CN1CCc2cc(Cl)ccc2C1 361724089 ANSIRSNESYJDPG-UHFFFAOYSA-N 282.774 3.770 30 20 CHED N#Cc1ccncc1N1CCC(c2c(F)cccc2F)CC1 364398964 HIBXFOIBPSMLCV-UHFFFAOYSA-N 299.324 3.615 30 20 CHED C=C[C@@H](CC(=O)N1CC[C@@H](c2ccco2)C1)c1ccccc1 371372209 FQCAUESQTCPWBT-DOTOQJQBSA-N 295.382 3.955 30 20 CHED CC(C)(C)CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 372638999 IAIWWWCIGANICD-JKSUJKDBSA-N 284.403 3.721 30 20 CHED N#Cc1cccnc1N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 374583266 HNSGLEWYPCJCKW-BCDXTJNWSA-N 289.382 3.868 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cc(Cl)c(Cl)nc1C 393816098 HTHATQHBLSWQTP-SECBINFHSA-N 287.190 3.781 30 20 CHED C=CCCC[C@H](C)NCc1cccc(O)c1Cl 398138770 YPDUQFSHXIZPSD-NSHDSACASA-N 253.773 3.880 30 20 CHED CC[C@@H](CNCC(C)(C)CCC#N)CC(F)(F)F 402670668 NWDPSJONOVYCFU-LLVKDONJSA-N 264.335 3.885 30 20 CHED C=CC[C@H](CC)NC(=O)C(C)(C)COCc1ccccc1 409965558 VDDFDFRHNXBDSH-INIZCTEOSA-N 289.419 3.700 30 20 CHED C[C@@H](SCCC#N)C(=O)Nc1ccc(C(C)(C)C)cc1 413011909 KFLMQANXAAQLLB-GFCCVEGCSA-N 290.432 3.958 30 20 CHED CC(C)(CCC#N)CNC(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 413556793 STHOVCZAVVRLSI-UONOGXRCSA-N 293.455 3.830 30 20 CHED Cc1cc(NC(=O)NCC2(C#N)CCC2)c2ccccc2c1 417192787 KVQNETRACLMXLK-UHFFFAOYSA-N 293.370 3.964 30 20 CHED C=CCN(C(=O)Nc1ccc2c(c1)C(=O)CCCC2)C1CC1 421141158 OSAILUFDKFBLQO-UHFFFAOYSA-N 298.386 3.778 30 20 CHED N#C[C@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccc(F)cn2)C1 424325476 LABPEDYOFCSAFI-FDQGKXFDSA-N 295.361 3.592 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)n(C(C)C)c1C 428037185 JEXYNSPJOAFPQS-OAHLLOKOSA-N 274.408 3.867 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@@H]1Cc1ccccc1 436303977 DEFAVRAQUGIIPZ-ZRNYENFQSA-N 299.458 3.969 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C 438168955 UZPXHJMECXUMEV-HZPDHXFCSA-N 296.455 3.578 30 20 CHED C=CCN(Cc1ccccc1F)c1ccc2nc(O)[nH]c2c1 440732134 LYKPHLUTJIMNTA-UHFFFAOYSA-N 297.333 3.600 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@@H](C)CC1 443575292 GZCWYXNLLNUYNV-IUODEOHRSA-N 285.391 3.957 30 20 CHED Cc1cc(CNCCc2ccc(F)cc2C)ccc1C#N 443990012 PYFATLPUOIBITR-UHFFFAOYSA-N 282.362 3.647 30 20 CHED CC1(C)CCCN(CCCOCc2ccccc2)[C@H]1C#N 444728497 LANKHONXWKDCIQ-KRWDZBQOSA-N 286.419 3.607 30 20 CHED C=CCN(Cc1cccs1)C(=O)C1(SC)CCC1 448135482 USPASBLHDAJJTG-UHFFFAOYSA-N 281.446 3.548 30 20 CHED Cc1[nH]c(C#N)cc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C 448739151 QGECZYJWFTUKOP-INIZCTEOSA-N 295.386 3.712 30 20 CHED C=CC(C)(C)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 450423727 PGKCMJPGDMVEAP-ZDUSSCGKSA-N 293.794 3.882 30 20 CHED C=C[C@@H]1OCC[C@H]1Nc1ncnc2sc3ccccc3c12 450755461 JBONYGLLGGLKDL-NEPJUHHUSA-N 297.383 3.600 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 454911714 MGQBEQVLCBMFHR-VNHYZAJKSA-N 288.391 3.553 30 20 CHED C=CCC[C@H](CO)NC(=O)Nc1cc(C)cc2ccccc12 455745754 SSVMKVZRAMFMTP-OAHLLOKOSA-N 298.386 3.597 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1scnc1C(C)C 456441909 RXHUTBSPPMUNMF-SNVBAGLBSA-N 252.383 3.807 30 20 CHED C[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)cc1 457454930 KBXUERDGTKXHAI-LLVKDONJSA-N 293.798 3.592 30 20 CHED COc1ccc(C)cc1[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 459650321 MFXKUYZINIEHNX-ILXRZTDVSA-N 272.392 3.737 30 20 CHED CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)c1ccccc1F 463387813 ICHWVORUYIHZAS-ZDUSSCGKSA-N 296.345 3.854 30 20 CHED CC(C)(C)c1ccc(CC(=O)N[C@H](C#N)C(C)(C)C)cc1 464711274 OPGUIJSHELRTDR-OAHLLOKOSA-N 286.419 3.581 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCCC12CCCCC2 466389636 RKOJFHDNQVZKMU-AWEZNQCLSA-N 264.413 3.849 30 20 CHED C=CCCN(C)Cc1cc(C)c(OC(F)F)c(C)c1 467371873 XYPBOWYXVPBIPM-UHFFFAOYSA-N 269.335 3.913 30 20 CHED C=CCCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 468376443 CUZJYUDDJUHXNK-QWRGUYRKSA-N 281.758 3.665 30 20 CHED C=CCOCCCN(C)[C@@H](C)c1cc(C)ccc1C 470724569 XCXAIXAOHJCBRA-INIZCTEOSA-N 261.409 3.889 30 20 CHED C=CCC[C@H](O)CN1C[C@H](C)C[C@H]1c1ccccc1F 472582159 PPLLBRVUFHQDBR-KEYYUXOJSA-N 277.383 3.536 30 20 CHED C=CCNC(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 473979629 BFQXKRDOVFQAAT-UHFFFAOYSA-N 292.810 3.589 30 20 CHED C=CCN(Cc1ccc(C#N)s1)c1ccccc1 475133805 XMLGMIOCHMUGDM-UHFFFAOYSA-N 254.358 3.812 30 20 CHED COc1cc(N[C@H]2CCC[C@H](C#N)C2)c(C)cc1C 475666465 CODDGHIJTBHBOZ-KBPBESRZSA-N 258.365 3.806 30 20 CHED COc1cc(Cl)ccc1Cn1nc(C#N)c2ccccc21 475881796 PPDZHHWLAGAINB-UHFFFAOYSA-N 297.745 3.618 30 20 CHED CC(C)C[C@@H]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 476139624 HHTWPOIYXXWCGA-FUHWJXTLSA-N 298.430 3.969 30 20 CHED C=CCCCCCSCC(=O)N1CCCC[C@@H]1C 485556764 ATGBAVYPMJYTOY-AWEZNQCLSA-N 269.454 3.867 30 20 CHED CCC(CC)N(CCOC)Cc1ccc(C#N)c(C)c1 487905841 BKXLJPAQPQPOCI-UHFFFAOYSA-N 274.408 3.504 30 20 CHED C=CC[C@@H](C(=O)N(CCCC)CCOC)c1ccccc1 488337503 JRTKBOBBBDGPLE-QGZVFWFLSA-N 289.419 3.621 30 20 CHED Cc1nc(N2CC3(CCC3)[C@H]2C(C)C)c(Cl)cc1C#N 488494302 AETVLGMCFVELLM-CQSZACIVSA-N 289.810 3.930 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](C)c2ccccc21 490080057 MVBLGCZUHRAXBK-CQSZACIVSA-N 280.371 3.828 30 20 CHED Cc1c(C#N)cccc1NC(=O)/C=C\c1ccsc1 492202867 MDZXZHGDPMQLGM-WAYWQWQTSA-N 268.341 3.580 30 20 CHED Cc1ccncc1/C=C\C(=O)Nc1sc(C)c(C)c1C#N 492506278 UYNDXGGBLWCXPO-PLNGDYQASA-N 297.383 3.592 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C1CC1 495181367 QERQTBGMYGMUGG-ZWKOTPCHSA-N 298.430 3.758 30 20 CHED Cc1ccc([C@H](C)N(C)CCOc2ccccc2C#N)cc1 497605893 UFQJAQASONLJOQ-INIZCTEOSA-N 294.398 3.939 30 20 CHED C=CCN(CCc1ccccc1)C(=O)c1ccc(C)c(O)c1 499749776 LWTRFBSDJMBAGD-UHFFFAOYSA-N 295.382 3.572 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CCO[C@@H](C(C)C)C1 500974614 PIFRWOVHKDDJHU-RHSMWYFYSA-N 288.391 3.572 30 20 CHED C=CC[C@@H](C)[C@@H](C)N[C@@H]1CCCC[C@H]1OC(F)F 503935141 BFFKDGNZECUNEH-FDYHWXHSSA-N 261.356 3.727 30 20 CHED CCc1oc2ccccc2c1CN(CC)C[C@@H](C)C#N 509784510 XDHAXDRGNSNURW-ZDUSSCGKSA-N 270.376 3.977 30 20 CHED C=C(CNC(=O)N(C)Cc1cccc(F)c1)c1ccccc1 512662135 VSXZZSLWESRCSP-UHFFFAOYSA-N 298.361 3.681 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)CCC(C)(C)C)CC1 522905778 UDIKXMASIZIZGA-CYBMUJFWSA-N 266.429 3.809 30 20 CHED CCC(C#N)(CC)C(=O)Nc1nc(C2CCC2)cs1 529179619 IPNIDSSAUDDBOY-UHFFFAOYSA-N 277.393 3.679 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CCCC1 530971297 UZLUMNIBSDGTRE-ROUUACIJSA-N 268.404 3.948 30 20 CHED C=C(CC)CSCCOc1ccccc1OC 536880303 BHKYIQZZNDRNST-UHFFFAOYSA-N 252.379 3.773 30 20 CHED C=CCC[C@H](NCc1ccc(OC)cc1F)C1CC1 539058712 SURRGEVVAPYCKK-INIZCTEOSA-N 263.356 3.669 30 20 CHED Cc1cccc([C@H]2CCN(Cc3cc(C#N)ccc3F)C2)c1 542318642 WEMDQCUVBKSGAZ-KRWDZBQOSA-N 294.373 3.995 30 20 CHED C=CCCCCCN1Cc2cnn(-c3ccccc3)c2C1 550158114 SYWPOMMTASTDSY-UHFFFAOYSA-N 281.403 3.934 30 20 CHED CCc1ccc([C@H]2CCN(C(=O)[C@@](C)(C#N)CC)C2)cc1 554410765 VEBVHELDEIMIMN-FUHWJXTLSA-N 284.403 3.505 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CCO[C@@H](C(C)C)C1 558010178 GOTMWSQVBLIHIB-HRCADAONSA-N 253.430 3.915 30 20 CHED COc1cc(-c2ccccc2)ccc1CNCC1(C#N)CC1 562384628 ZLADOPMTSPDMLE-UHFFFAOYSA-N 292.382 3.756 30 20 CHED C[C@H](c1ccc2c(c1)CCC2)[S@@](=O)CCC(C)(C)C#N 563549818 FQCFSFXCWGCBRI-XCLFUZPHSA-N 289.444 3.925 30 20 CHED N#Cc1ccc(SCC2(F)CCOCC2)c(Cl)c1 563899426 VZENBJVKDKWBLH-UHFFFAOYSA-N 285.771 3.822 30 20 CHED C=CCOc1ccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1 568447607 YWYXYGAYBQIXPH-HSALFYBXSA-N 291.394 3.679 30 20 CHED CC(C)CN(CCc1ccccc1)Cc1ccc(C#N)cn1 570737432 VPTJXEZQELVHTF-UHFFFAOYSA-N 293.414 3.654 30 20 CHED CCc1ccc([N+](=O)[O-])cc1NCc1ccc(C#N)cc1F 572450684 PGFKGUKSCDOQHQ-UHFFFAOYSA-N 299.305 3.780 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)N1CCC(CCC#N)CC1 574568608 SZCMUACDOXIQIF-ZDUSSCGKSA-N 279.428 3.536 30 20 CHED C[C@H](NCC1(C#N)CC1)[C@@H](C)c1ccc(Cl)cc1 577458178 WBSQJELFTFVCSI-NEPJUHHUSA-N 262.784 3.725 30 20 CHED C=CC[C@H]1N(Cc2nnc(C3CC3)o2)CCCC1(C)C 577701868 CWNCYNGMPIOWJV-CYBMUJFWSA-N 275.396 3.514 30 20 CHED Cc1cccc([C@@H](C)[S@](=O)CCC(C)(C)C#N)c1 584873895 UCDOJBBYWIQVDJ-FZKQIMNGSA-N 263.406 3.745 30 20 CHED Cc1cccc(C)c1OCCCON=C1CCCOCC1 588398983 LIHMWLOMWQIHCS-UHFFFAOYSA-N 291.391 3.645 30 20 CHED O=C(/C=C\c1ccc(F)nc1)c1ccc(Cl)cc1 588523453 HAJMMTUFIFKZNF-XFSBKJJWSA-N 261.683 3.770 30 20 CHED Cc1cnc(NCC(C)(C)C#N)nc1-c1ccccc1F 590140784 YIQDYUHOUPZXIA-UHFFFAOYSA-N 284.338 3.553 30 20 CHED Cc1csc(NC(=O)N(C)[C@H](C)c2ccco2)c1C#N 590606400 UAQLFIALYSHAIJ-SNVBAGLBSA-N 289.360 3.746 30 20 CHED CCC[C@@H](NC(=O)CCCCCC#N)C1CCCC1 590924086 VKUQKXJVWZBBKT-OAHLLOKOSA-N 264.413 3.936 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC[C@H]2C[C@H]3CC[C@H]2O3)n1 591175568 BVVHJEHIWUBRRN-NWANDNLSSA-N 299.418 3.620 30 20 CHED COCCOc1ccc(-c2ccc(CC#N)s2)cc1 592985276 VIUDHTYLKAXXCE-UHFFFAOYSA-N 273.357 3.506 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccccc1)C1CCCC1 593414846 NPDGJNWVALKTBA-CJNGLKHVSA-N 270.376 3.584 30 20 CHED CC[C@H](C#N)C(=O)N1CC2(CCCC2)c2c(F)cccc21 593443612 IJXGSPJTPFTKOM-GFCCVEGCSA-N 286.350 3.534 30 20 CHED CC(C)(C)[C@H](C#N)NC(=O)CCC1CCCCCC1 593986941 ARBYIGXXRQKDQL-AWEZNQCLSA-N 264.413 3.791 30 20 CHED C[C@@H](NCCc1ccc(C#N)cc1)C1CCCCC1 595060217 KHGWFRNOABPGLB-CQSZACIVSA-N 256.393 3.659 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](CC#N)C1 595488576 HRPCUINAHRSOQC-ARFHVFGLSA-N 291.439 3.681 30 20 CHED C[C@H](N[C@@H](C#N)c1ccccc1)[C@H]1OCCc2sccc21 595508437 ACTXBOSKEDDUCH-YLQAJVPDSA-N 298.411 3.605 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCCC=C(C)C 596423504 YTBNKDQDQNDUKQ-CQSZACIVSA-N 267.438 3.665 30 20 CHED C=CCCSCCNC(=O)Nc1cccc(C)c1C 596451144 SFTNJWRDZMNOEL-UHFFFAOYSA-N 278.421 3.734 30 20 CHED CCCc1sc(C(=O)N(CC)[C@H](C)C#N)cc1CC 598355105 XINRQSALRGMPAA-LLVKDONJSA-N 278.421 3.637 30 20 CHED CCN(C(=O)C1CCC(c2ccccc2)CC1)[C@@H](C)C#N 598358363 HBPSMMPVQGVOTJ-OOHWJJMZSA-N 284.403 3.721 30 20 CHED Cc1ncsc1C(=O)N(c1ccc(C#N)cc1)C1CCC1 598885093 LYCBKXOSVITJNR-UHFFFAOYSA-N 297.383 3.523 30 20 CHED C=CC1CCN(C(=O)c2oc3c(F)cccc3c2C)CC1 599710780 RYHKWEWCVPOXNV-UHFFFAOYSA-N 287.334 3.919 30 20 CHED N#Cc1cccc(-c2ccc3c(c2)CCCC[C@H]3N)c1 600777150 PLDUTDRMWQOQQN-GOSISDBHSA-N 262.356 3.951 30 20 CHED N#CC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2N)C1 602704616 BHIZMDRPZCGQFT-SNVBAGLBSA-N 298.217 3.701 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@H]1CCCC[C@H]1C 609142970 HWCLCQPAEMVAQN-HZPDHXFCSA-N 278.440 3.991 30 20 CHED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1C 609377743 DOIJEALPMPDZKR-IJLUTSLNSA-N 274.389 3.533 30 20 CHED N#Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)nn1 611239214 GLZZQDQGDZHEER-UHFFFAOYSA-N 299.639 3.813 30 20 CHED CCc1ccc(C(C)(C)C(=O)N2CCC[C@](C)(C#N)C2)cc1 612366143 ORRCBBAQNKKKEE-LJQANCHMSA-N 298.430 3.679 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cccc(N2CCCC2)c1 613271785 JEVRJICGTNNCKO-OAHLLOKOSA-N 286.419 3.761 30 20 CHED C=CCC1(NC(=O)Cc2c[nH]c3ccccc23)CCCC1 619106654 SACVKXXQAYIABY-UHFFFAOYSA-N 282.387 3.716 30 20 CHED C=CCCOCC(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 620328171 LGUKLKIXRUCQLL-HNNXBMFYSA-N 293.407 3.870 30 20 CHED C=CCCOCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 620328173 LHUDVFUQLMIWBS-GOSISDBHSA-N 299.414 3.648 30 20 CHED C=CCC1(C(=O)Nc2nc(C(C)C)co2)CCCC1 637630290 CMARTQNNSRXVGG-UHFFFAOYSA-N 262.353 3.873 30 20 CHED C=C(C)CCNCc1nc2cc(Br)ccc2o1 639227074 KSDLVXYUGQRFQC-UHFFFAOYSA-N 295.180 3.646 30 20 CHED C=CCCN(C)C(=O)CCCc1ccc(SC)cc1 648365705 UUEGICVFCDGAIX-UHFFFAOYSA-N 277.433 3.766 30 20 CHED N#CCC1(CNc2ccc3c(c2)C(=O)CCCC3)CC1 656654343 MPJJCXMMSJMPIH-UHFFFAOYSA-N 268.360 3.701 30 20 CHED C=CCC1(NCC(=O)Nc2cc(C)ccc2C)CCCC1 661849728 ZNFCFDVZTPEQKB-UHFFFAOYSA-N 286.419 3.720 30 20 CHED C=CCCNC(=O)Nc1c(CC)cc(C)cc1CC 666999144 RYGXYUJKNWFJEE-UHFFFAOYSA-N 260.381 3.817 30 20 CHED C=CCC1(NCc2ccc(O)c(OCC)c2)CCCC1 668625445 PXCHTEDRMISOFL-UHFFFAOYSA-N 275.392 3.769 30 20 CHED C=CCCCCCN(C)C(=O)N[C@@H]1CCC(F)(F)C1 675662284 WDFSBPDZABRWGW-GFCCVEGCSA-N 274.355 3.562 30 20 CHED C=CCCOCC(=O)Nc1ccc(OC(C)C)cc1Cl 682014161 KJRGTWFWEAVMJW-UHFFFAOYSA-N 297.782 3.658 30 20 CHED C#C[C@H](NC(=O)CSc1cc(C)ccc1C)C(C)(C)C 702225832 ZBXIDVODYARNKL-HNNXBMFYSA-N 289.444 3.560 30 20 CHED C#C[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C(C)(C)C 702238993 HBQMREHBBQNKJB-OLZOCXBDSA-N 251.414 3.613 30 20 CHED O=C1/C(=C/c2cccnc2Cl)Cc2c(F)cccc21 728697193 KCUFWEPRNOUJOS-JXMROGBWSA-N 273.694 3.697 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@H]2CCCC[C@H]2C)cc1 728712011 RRCOVKYOUWEIGF-BFYDXBDKSA-N 286.419 3.893 30 20 CHED C#Cc1ccc(C(=O)N(C2CCC(CC)CC2)C2CC2)nc1 728810865 MVSNXZRCXMYUBL-UHFFFAOYSA-N 296.414 3.636 30 20 CHED C#Cc1cccc(NC(=O)c2ccccc2OC(C)C)c1 729946089 SUNKLAPLUWRLRV-UHFFFAOYSA-N 279.339 3.707 30 20 CHED CCc1ccc(C=NNc2cccc(C#N)c2)s1 731150607 BPTYOAPNVRCWMS-UHFFFAOYSA-N 255.346 3.628 30 20 CHED Cc1cccc(C=NNc2cnc3ccccc3n2)c1C 731153676 YBRKHNBDTSEUKZ-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNc2nncc3ccccc23)o1 732762449 YOHLVMUERIOZQX-NHYWBVRUSA-N 292.342 3.792 30 20 CHED O=C(OCC#Cc1ccccc1)c1coc2ccccc12 733683321 ZADWSZMJRDCMCW-UHFFFAOYSA-N 276.291 3.641 30 20 CHED C=CCN(C(=O)C[C@H](C)c1cccc(F)c1)C(C)C 734773827 UDKRKDLRERBNQU-ZDUSSCGKSA-N 263.356 3.742 30 20 CHED C[C@H](C/N=C/c1ccccc1O)Oc1ccc(Cl)cc1 743044612 MXWIRGPDBJKGJP-MBNTZHJCSA-N 289.762 3.932 30 20 CHED C#CCN(C(=O)/C=C\c1ccc(OC)cc1)C1CCCCC1 743689902 HNFXIJOQSQWQLH-KAMYIIQDSA-N 297.398 3.503 30 20 CHED C[C@@H]1CC(OC(=O)/C=C/c2ccccc2C#N)C[C@H](C)C1 744214810 MWLQOPZIGZRJGB-FGCMQKDGSA-N 283.371 3.939 30 20 CHED CC#CCOC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 744450525 BNCGGBCXDOHLBC-UHFFFAOYSA-N 299.395 3.536 30 20 CHED N#Cc1cccc(C2(NC(=S)Nc3ccccc3)CC2)c1 747706633 SYCYCDMPDMYTMK-UHFFFAOYSA-N 293.395 3.534 30 20 CHED O=C(OCC#Cc1ccc(Cl)cc1)c1ccc(Cl)o1 749192718 CWQXOCGOCQCGDB-UHFFFAOYSA-N 295.121 3.795 30 20 CHED CCCCCCCCNC(=O)N(C)C1CCCC1 755074989 KJVVEOLDOUUXOU-UHFFFAOYSA-N 254.418 3.931 30 20 CHED C(=NNc1ncnc2sccc12)[C@H]1C[C@@H]1c1ccccc1 755588492 BZVXKELXSWBYNO-TZMCWYRMSA-N 294.383 3.893 30 20 CHED CC(=NO[C@H]1CCCCO1)c1ccc(Br)cc1 755823726 NSHDCDLFJNPLFN-ZDUSSCGKSA-N 298.180 3.716 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1cccc(F)c1)OCC 756474016 VUMJTXUXTXIXGB-WFASDCNBSA-N 280.339 3.801 30 20 CHED C#CCCCN[C@@H]1CCC[C@H]1c1ccccc1Cl 756610653 PWEUTBKMYNZTCM-GOEBONIOSA-N 261.796 3.979 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)cc2O)cc1F 757476874 VKGFIYYFMQNJLB-KXFIGUGUSA-N 290.265 3.575 30 20 CHED C#CC[C@H](NC(=O)c1cccc(C(C)C)n1)c1ccccc1 757598132 OJCCLXUSKAXISB-KRWDZBQOSA-N 292.382 3.699 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)c1ccccc1F)c1ccccc1 757601026 WBUDPBHHJIAMLJ-KSSFIOAISA-N 295.357 3.810 30 20 CHED C#CCCCCNC(=O)N1CC(C)(C)[C@H]1c1ccccc1 758895343 YKYYXLACPYXGPH-MRXNPFEDSA-N 284.403 3.583 30 20 CHED C#CCOc1ccc(F)cc1NC/C(Cl)=C\Cl 763243177 FFLKIEDEHDSHEY-VQHVLOKHSA-N 274.122 3.569 30 20 CHED CCCCC[C@@H](C)NC(=O)[C@H](C#N)CCc1ccccc1 764146174 BTUIOZNLLLYGAB-WBVHZDCISA-N 286.419 3.844 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(OC)cc1)OCC 764428296 QUCPOTRUXGIEOK-XJKSGUPXSA-N 292.375 3.671 30 20 CHED COc1ccc(Cl)cc1C(C)=NOCC(F)(F)F 764836115 PYSKPPUEAJISQV-UHFFFAOYSA-N 281.661 3.652 30 20 CHED C#CCN(CC)C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 766402261 BLDYEOROXBFSMF-DLBZAZTESA-N 293.451 3.624 30 20 CHED C#CCCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 766905249 IORSSYZEKHHWSU-CQSZACIVSA-N 288.460 3.615 30 20 CHED Cc1cc(Cl)ccc1C=NO[C@@H]1CCCCO1 767387629 KZBKDSTZFOCVQD-CYBMUJFWSA-N 253.729 3.526 30 20 CHED C#CCC(C)(C)C(=O)O[C@@H](C)c1cc(F)ccc1F 767652516 MTGUMYANXPOQRT-JTQLQIEISA-N 266.287 3.619 30 20 CHED CC(C)(C)Oc1cccc(C/N=C\c2ccccc2O)n1 767879002 RJEOPEPLQOPCTN-WQRHYEAKSA-N 284.359 3.584 30 20 CHED N#Cc1ccc(OC(=O)[C@H]2CCCc3ccccc32)c(F)c1 769739705 DXXQHAHBWLUHGP-HNNXBMFYSA-N 295.313 3.723 30 20 CHED C=CCCCCNC(=O)N[C@H](CC)c1ccccc1OC 770404787 QCEQJTMLTRZDFO-OAHLLOKOSA-N 290.407 3.802 30 20 CHED CC(=NNC[C@H](C)C#N)c1ccc(-c2cccs2)cc1 771106792 IOGOEVOGRAXNLZ-GFCCVEGCSA-N 283.400 3.888 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(C#N)cc1F)C2=O 772803415 TVWHDEBEYILUIB-MDWZMJQESA-N 293.297 3.528 30 20 CHED CC[C@H](C)[C@H](C)NCc1cccc(O[C@@H](C#N)CC)c1 772983750 LIUWPFDQZJPWIC-OFQRWUPVSA-N 274.408 3.892 30 20 CHED Cn1ccc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)n1 773153782 NLMYIAIKSMRLCD-SOFGYWHQSA-N 293.153 3.549 30 20 CHED C=C(CC)CNc1ccc(CNC(=O)OC(C)C)cc1 773206442 HKDTYVZMAJVVPU-UHFFFAOYSA-N 276.380 3.699 30 20 CHED Cc1cc(C)c(CC(=O)OCc2cccc(C#N)c2)c(C)c1 773707283 NCVKLWSOPAKUKJ-UHFFFAOYSA-N 293.366 3.769 30 20 CHED O=C(O)c1cccc(/C=C2\CCc3cc(F)ccc3C2=O)c1 774133005 ZGJGNIXMKAEXTF-MDWZMJQESA-N 296.297 3.736 30 20 CHED C#CCOc1ccccc1NCc1ccc(F)cc1F 774373140 JVAAYWREVRJFNH-UHFFFAOYSA-N 273.282 3.589 30 20 CHED CCC(CC)CNN=Cc1c[nH]nc1-c1ccccc1F 774472723 OQKSIMYWMZHQAB-UHFFFAOYSA-N 288.370 3.576 30 20 CHED Cc1ccc(OCc2cn3ccccc3c2C#N)c(Cl)n1 777544566 PAASMDGZMIMIDO-UHFFFAOYSA-N 297.745 3.747 30 20 CHED C=CC[C@H](C(=O)OCC[C@@H]1CCCC1=O)c1ccccc1 778416986 MPBKUDAXURZKDO-HOTGVXAUSA-N 286.371 3.649 30 20 CHED C=CCN(CCc1ccco1)C(=O)/C=C\c1cccs1 778982339 KQKFFLXXNRSMDV-FPLPWBNLSA-N 287.384 3.612 30 20 CHED Clc1ccc(C=NNc2ccc3[nH]ncc3c2)s1 779817797 GLLZACQBTNHFHT-UHFFFAOYSA-N 276.752 3.724 30 20 CHED C#CCCCCCC(=O)N[C@H](C)c1cc(F)ccc1OC 779852584 NBHHJUBOZAKXBT-CYBMUJFWSA-N 291.366 3.595 30 20 CHED C#CCCCCCC(=O)NCC(C)(C)c1ccccc1C 779895462 CKIWGYPYFGTMIU-UHFFFAOYSA-N 285.431 3.973 30 20 CHED C#CCCCCCC(=O)N1CCc2c(Cl)cccc2C1 779918123 SEBNYAHIIAZHLO-UHFFFAOYSA-N 289.806 3.808 30 20 CHED C[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cn1 781709072 JEAOUNBHPJWFLW-SNVBAGLBSA-N 286.718 3.525 30 20 CHED CC#CCCCC(=O)O[C@H](C)c1ccc(Cl)cn1 781718086 YRFXKVCCCQHLKU-LLVKDONJSA-N 265.740 3.533 30 20 CHED Cc1cc(COC(=O)c2ccc(F)cc2F)ccc1C#N 782025760 XYJIRPWOZNZTPZ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Fc1cccc(F)c1NN=Cc1scnc1C1CC1 782232908 SLTBTMLBVBAJSU-UHFFFAOYSA-N 279.315 3.745 30 20 CHED Cc1ccc(OCc2ccc(C#N)c(C)c2)c(Cl)n1 783065322 YXIPZQFMORNKQF-UHFFFAOYSA-N 272.735 3.803 30 20 CHED Cc1ccc2cc(C=NN[C@H]3C[C@H]4CC[C@H]3C4)ccc2n1 783522023 HJMMWILDYYKZPA-OWQGQXMQSA-N 279.387 3.655 30 20 CHED CC(C)(C)C1CCC(C=NNc2cccnn2)CC1 783847339 YXSCCTJDTHDFQR-UHFFFAOYSA-N 260.385 3.727 30 20 CHED C=C[C@@H](CC(=O)OCc1cncc(C)c1)c1ccccc1 785689406 ZJTDPUQCDJWEFA-INIZCTEOSA-N 281.355 3.793 30 20 CHED CC(=NNc1ccccn1)c1csc(Cl)c1 787154505 KTNZSXYJVFGKQH-UHFFFAOYSA-N 251.742 3.633 30 20 CHED COc1ccc2c(c1)C(C)(C)/C(=C/c1cccc(O)c1)C2=O 788735186 FKKBQOLKNPUTLL-LICLKQGHSA-N 294.350 3.958 30 20 CHED CCCCCCC[C@H](C)NCc1ccc(NC(C)=O)nc1 789751408 DBBQKOKBDCCNIQ-AWEZNQCLSA-N 291.439 3.879 30 20 CHED CC[C@@H](C)NN=C(C)c1ccc(-c2ccncc2)cc1 790180907 BMRZGBPKUAUKCO-CYBMUJFWSA-N 267.376 3.861 30 20 CHED Cc1ncccc1C=NNCc1cccc(Cl)c1Cl 790183589 NUCBHFNDCFWESX-UHFFFAOYSA-N 294.185 3.821 30 20 CHED Cc1cccnc1NN=C1CCC2(CCOCC2)CC1 790193041 PPYVYEQKYRMLNY-UHFFFAOYSA-N 273.380 3.529 30 20 CHED C[C@H](NN=Cc1ccc(-c2cnn(C)c2)s1)C(C)(C)C 793114723 ITLQPGMAMRKHHB-NSHDSACASA-N 290.436 3.507 30 20 CHED CCCCCCCCNC(=O)Cc1ccc2n[nH]cc2c1 793723661 BKLQXBKWWJHITR-UHFFFAOYSA-N 287.407 3.582 30 20 CHED CC(C)C1CCC(C=NN2C(=O)c3ccccc3C2=O)CC1 794862195 NFVDNTXHWPAZNL-UHFFFAOYSA-N 298.386 3.731 30 20 CHED Fc1ccccc1CCNN=C1CCC[C@@H]1c1ccccn1 794918307 SELJYDZHOKVQFG-OAHLLOKOSA-N 297.377 3.677 30 20 CHED COCCN(C)N=C1C[C@H](C)C[C@@H](c2ccccc2)C1 794965935 GQAIARHDDFVZNZ-GDBMZVCRSA-N 274.408 3.524 30 20 CHED C/C=C(\C)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 797572194 UVVGQAQMOCPUDU-ZKXNXJMVSA-N 262.378 3.583 30 20 CHED C/C(=C/Cl)CS[C@@H](C)C(=O)Nc1cccc(C#N)c1 797815555 SXODSXHLOXTLLW-BRNRAETOSA-N 294.807 3.761 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1ccnc2cc(OC)ccc12 797836915 HIGWMUMKDMFXCM-UGSOOPFHSA-N 298.386 3.637 30 20 CHED N#Cc1ccccc1C(=O)/C=C\c1ccc(Cl)nc1 799498861 DZOMHJOZULJOPQ-ALCCZGGFSA-N 268.703 3.503 30 20 CHED CCCC[C@@H](C)C(=O)OCc1cc(C#N)ccc1F 799960051 OGUZSALXRMUNRN-LLVKDONJSA-N 263.312 3.567 30 20 CHED C=CCCCCCCNC(=O)/C=C\c1ccccc1C#N 805221204 MLZGKRIPYBVZGR-SEYXRHQNSA-N 282.387 3.824 30 20 CHED COc1ccc(/C=C/C(=O)c2cccs2)c(C)c1OC 806569042 INQYPZIKOWBZOJ-SOFGYWHQSA-N 288.368 3.970 30 20 CHED Fc1cc(Cl)cc(C=NNCC2CCCC2)c1 808007256 XDSXWWXPXZIKCJ-UHFFFAOYSA-N 254.736 3.593 30 20 CHED C=C[C@H](CC(=O)OCCC1(OC)CCC1)c1ccccc1 809052890 KEHHOKBAZZEJCO-OAHLLOKOSA-N 288.387 3.849 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C=C2CCCCC2)cc1 809256966 FVGQVMDBMQFIPF-QGZVFWFLSA-N 282.387 3.820 30 20 CHED C#Cc1ccc(CNc2cc(C)cc(OC)c2C)cc1 809656412 UZPVKGNBQXMQRY-UHFFFAOYSA-N 265.356 3.905 30 20 CHED N#C[C@@H](C(=O)CCCc1ccccc1Cl)c1ccccn1 810526509 BCVXWQWUFUMPQU-CQSZACIVSA-N 298.773 3.934 30 20 CHED C=C(C)CCOC(=O)c1ccc2c(c1)CCCCC2=O 810599390 FDPJSNRSQXOHAV-UHFFFAOYSA-N 272.344 3.719 30 20 CHED C#CC[C@@H](NC(=O)c1ccc(C(C)C)cn1)c1ccccc1 810750578 MIOXSJQDZFQAIV-QGZVFWFLSA-N 292.382 3.699 30 20 CHED CC(C)[C@H]1CCCCC1=NNC[C@@H]1CCSC1 811658069 GLHIHAGMIHQBMG-QWHCGFSZSA-N 254.443 3.531 30 20 CHED COc1ccc([C@H](C)C(C)=NOC/C=C\Cl)cc1OC 811668429 FZVNGTZIZBDJTQ-HDHBBSLMSA-N 297.782 3.952 30 20 CHED C=CC[C@@H](NC(=O)N1CC(C)(C)[C@@H]1C1CC1)c1ccncc1 812048020 LGPHOSMIUIVODU-CVEARBPZSA-N 299.418 3.529 30 20 CHED N#CCCCC(=O)OCCSc1ccc(Cl)cc1 812616997 ZBWDJHUYGYYIFZ-UHFFFAOYSA-N 283.780 3.669 30 20 CHED Clc1ccc2c(NN=C[C@H]3CCCOC3)ccnc2c1 814693695 CYYUVZFVCVJBDY-LLVKDONJSA-N 289.766 3.713 30 20 CHED C[C@@H]1SCCC1=NNC(=S)Nc1cccc(Cl)c1 814735991 ITUGUVPVAYFYND-QMMMGPOBSA-N 299.852 3.508 30 20 CHED CCC(C=NNc1ccc(S(C)(=O)=O)cc1)(CC)CC 814802709 SGHVETSDPDSFQK-UHFFFAOYSA-N 296.436 3.704 30 20 CHED CCCCCCCCC(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1 819263392 YRFSPVRAWKZJSB-ZWKOTPCHSA-N 293.451 3.907 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2F)c1 821001617 BFIJYYREPFCUSQ-DAXSKMNVSA-N 296.257 3.502 30 20 CHED C=C(C)C(C)(C)C(=O)OCC(=O)c1ccc(Cl)s1 821444443 HWWIWYFSAWWXTP-UHFFFAOYSA-N 286.780 3.730 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)c1ccc2ccccc2c1 822887664 IFIXGHMLHHVQGZ-MSOLQXFVSA-N 295.382 3.784 30 20 CHED C=CCCCC[C@@H](C)NC[C@](C)(O)c1cccs1 823904301 AEMMSIAJAWKSOZ-HIFRSBDPSA-N 267.438 3.680 30 20 CHED C=CCC1(NC(=O)[C@@H](C)c2cccc(O)c2)CCCC1 825436911 FWNFQLSHFQSVGJ-ZDUSSCGKSA-N 273.376 3.501 30 20 CHED N#CC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 826861085 ANNKILUJTOJKFZ-JTQLQIEISA-N 299.201 3.825 30 20 CHED C#CCCCCCC=NNc1cc(C#N)cc(Cl)n1 834967807 UUQKSRWLWWCQSK-UHFFFAOYSA-N 274.755 3.588 30 20 CHED CCOc1c(Cl)cccc1C=NN[C@H](C)C(F)(F)F 834997621 GLIZCWVMJYSNHI-MRVPVSSYSA-N 294.704 3.613 30 20 CHED CC(=NN[C@H](C)C(F)(F)F)c1coc2ccccc12 834999297 CNIZKDHAFVKLLE-SECBINFHSA-N 270.254 3.697 30 20 CHED COC1(C=NNc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 835008594 HNRBZRDAKHCEHM-UHFFFAOYSA-N 297.742 3.605 30 20 CHED CSC1(C=NNc2cc(Cl)ccc2[N+](=O)[O-])CCC1 835009535 UYDQPJMZHFDUHU-UHFFFAOYSA-N 299.783 3.932 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CCC[C@@H]1CCC)c1ccccn1 835131918 HBZWHPZNRGODBA-ZOBUZTSGSA-N 285.387 3.906 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)OC[C@H](C#N)Cc1cccs1 835260843 LSYLSXWKFJFTRV-GZBFAFLISA-N 291.416 3.656 30 20 CHED CCCCC[C@@H](C)NC(=O)Nc1cccc(CC#N)c1 836764779 MIRNPPZQVZQVGS-CYBMUJFWSA-N 273.380 3.843 30 20 CHED C[C@H]1CCC[C@H]([C@H](C)NC(=O)Cc2ccccc2CC#N)C1 837155584 MHLSTYDLGTYTDX-ZOBUZTSGSA-N 298.430 3.626 30 20 CHED C=CCCCCOC(=O)c1ccoc1Br 837676412 VGWVNXGHOGZKKA-UHFFFAOYSA-N 273.126 3.555 30 20 CHED CCCCCCCCNC(=O)Nc1ccc(N)c(OC)c1 841262665 XHSIHKQBFRYSRA-UHFFFAOYSA-N 293.411 3.759 30 20 CHED Cc1ccc(C(=O)O[C@H](C#N)C2CC2)c2ccccc12 842314925 HNTJISXLQZXYLR-MRXNPFEDSA-N 265.312 3.607 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)Cc1cccc(C2CC2)c1 842333042 FIAWWIXGVATTAE-OAHLLOKOSA-N 271.360 3.588 30 20 CHED C#C[C@@H](OC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 842391486 PFMREHARHVDJDI-ZIAGYGMSSA-N 278.298 3.730 30 20 CHED C#C[C@H](OC(=O)[C@H]1CCCC(F)(F)C1)c1ccc(F)cc1 842408111 RTASLRHMTYNOEO-JSGCOSHPSA-N 296.288 3.869 30 20 CHED CC1=C(C)C[C@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)CC1 842676858 OITFNYZWRSDLSW-KGLIPLIRSA-N 293.370 3.876 30 20 CHED CC1=C(C)C[C@H](C(=O)O[C@@H]2CCC[C@H](C#N)C2)CC1 842817611 BMJNIDHIRJWGLD-RRFJBIMHSA-N 261.365 3.748 30 20 CHED C#C[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccccc1 843643170 PZEFPWBUKOWGIF-CVEARBPZSA-N 295.407 3.659 30 20 CHED CC[C@H](CC#N)OC(=O)c1coc2ccc(Cl)cc12 845529048 RCVHYDJGTNOFKG-SNVBAGLBSA-N 277.707 3.935 30 20 CHED C#CCCOc1ccc(CNC2CC3(CCC3)C2)cc1 846107559 UYBBIPNYIGAYQU-UHFFFAOYSA-N 269.388 3.511 30 20 CHED c1cc(NN=C2CCCN3CCCC[C@@H]23)c2ccncc2c1 848405757 XNAGVCPBMZLGLD-SFHVURJKSA-N 294.402 3.651 30 20 CHED C=CCc1ccc(OC(=O)C2CC3(CC3)C2)c(OC)c1 850749225 RFIDWSVDRCDRPE-UHFFFAOYSA-N 272.344 3.519 30 20 CHED C[C@@]1(COC(=O)CC2(C#N)CCCCC2)C[C@]1(F)Cl 851098334 RPTZPWBCIVLHJZ-GXTWGEPZSA-N 287.762 3.708 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@H]1CC[C@@H](C)C1 851209127 JDFLVRJDRKSSTK-AGIUHOORSA-N 251.370 3.684 30 20 CHED CCCCCCCCNC(C)(C)c1nc(C)cc(O)n1 852147019 LQBHPPSIFDELLZ-UHFFFAOYSA-N 279.428 3.676 30 20 CHED C=C(Cl)COc1ccc([C@@](C)(O)C(F)(F)F)cc1 853676611 GPFFNCHHTGNXCS-LLVKDONJSA-N 280.673 3.588 30 20 CHED Fc1cc(Br)cc(CON=CC2CC2)c1 853736075 KUOOTRHXNZRIAH-UHFFFAOYSA-N 272.117 3.501 30 20 CHED CC(C)(C(=O)N1CCC[C@H](CC#N)C1)C1CCCCC1 855254673 OSZVEORUVMDHKM-CQSZACIVSA-N 276.424 3.745 30 20 CHED C#CCCCCCC(=O)N1CC[C@@H](C2CCCCC2)C1 855636609 NUWAMKGLBQREBY-QGZVFWFLSA-N 275.436 3.999 30 20 CHED C=CCCC(C)(C)NC(=O)c1ccnc(C(F)(F)F)c1 856372695 QHIHECPJSQGQLH-UHFFFAOYSA-N 286.297 3.575 30 20 CHED CCC(C#N)(CC)C(=O)OCC#Cc1cccc(Cl)c1 860197441 COIHRCHHCXJWQP-UHFFFAOYSA-N 289.762 3.565 30 20 CHED CCC[C@H](OCC)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 860581925 PNBWWECNAZPQPB-YPMHNXCESA-N 294.420 3.648 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(OCCC)c(C)c1 861620693 KALHRHTVBMAQOQ-UHFFFAOYSA-N 276.380 3.824 30 20 CHED CCOc1ccc(/C=N\[C@H](C)c2cnc(C)s2)c(O)c1 864347092 KCIDBUADEQYNMY-NUEDXCKTSA-N 290.388 3.736 30 20 CHED Cc1c(NC(=O)OC(C)(C)C)cccc1N[C@@H](C)C#N 864356789 QKQZGTHNIFUKOS-JTQLQIEISA-N 275.352 3.666 30 20 CHED C#CCCCCCCN[C@@H](C)C[C@@H](O)c1cccs1 877131432 ZZMKAWUJDREOPW-LSDHHAIUSA-N 279.449 3.733 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F 879390573 ZZEQUEMYGIXACQ-BLLLJJGKSA-N 293.382 3.620 30 20 CHED C=CC(C)(C)CC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 880111230 WKSCUWDOALPAHB-CTYIDZIISA-N 275.367 3.790 30 20 CHED C=CCCNC(=O)c1c(Cl)cccc1C(F)(F)F 892815766 BPMPDPPSIVNARG-UHFFFAOYSA-N 277.673 3.665 30 20 CHED C=C1CC(c2noc(-c3ccc(C(C)C)cn3)n2)C1 896878068 WZTFZEWGGYWIGL-UHFFFAOYSA-N 255.321 3.689 30 20 CHED C=C1CC(c2noc(-c3ccc(C(C)=O)cc3F)n2)C1 896885155 XUHLJVRKVSUBGK-UHFFFAOYSA-N 272.279 3.512 30 20 CHED COC[C@@H](Sc1nc(C)ccc1C#N)c1ccccc1 897004349 YZMITVMYFKVLNF-OAHLLOKOSA-N 284.384 3.742 30 20 CHED CCn1cc(/C=C2\CCc3ccc(F)cc3C2=O)c(C)n1 899367142 WLLZIXGARBLAJM-MDWZMJQESA-N 284.334 3.563 30 20 CHED CC(C)(C)Oc1cccc(/C=C2\CCn3ccnc3C2=O)c1 901534074 GZAIVWJVTFJHGG-SDNWHVSQSA-N 296.370 3.730 30 20 CHED O=C(c1ccoc1C1CC1)N(O)Cc1ccccc1Cl 904192945 GHUGCPJFQJKDPF-UHFFFAOYSA-N 291.734 3.842 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)ccc1C 905089711 MPUHBCXGASZSAZ-JSGCOSHPSA-N 279.767 3.568 30 20 CHED CCO[C@H]1CCCC(=NNCc2cccc3cccnc23)C1 905435330 AESQIHSVPIWEJI-KRWDZBQOSA-N 297.402 3.660 30 20 CHED N#CC1(c2ccc(-c3cncc(OC(F)F)c3)cc2)CC1 906205833 XPYHIVHXYKAABJ-UHFFFAOYSA-N 286.281 3.905 30 20 CHED N#CC1(CCCCOC(=O)c2ccncc2Cl)CCC1 909038754 MNIFFFVIWHNBIJ-UHFFFAOYSA-N 292.766 3.756 30 20 CHED CCOc1ccc(C=Nc2ccc(F)cc2OC)c(O)c1 914557497 HFPULXIQGWNAJO-UHFFFAOYSA-N 289.306 3.689 30 20 CHED O=C(/C=C\c1cccc2c1OCO2)c1ccccc1Cl 915981163 KOGBWMRMWYJNSH-HJWRWDBZSA-N 286.714 3.965 30 20 CHED COc1ccc(C(C)=NNc2ccc(C)cc2)cc1 916250452 GNMIGQVOMIMTBV-UHFFFAOYSA-N 254.333 3.840 30 20 CHED CC(CCc1ccc(F)cc1)=NNc1nc(C)cc(C)n1 917529712 UMMQPAZMLNTFHR-UHFFFAOYSA-N 286.354 3.653 30 20 CHED COc1cccc([C@@H](C)/N=C/c2c(O)cccc2OC)c1 917558626 RXLKOICSALDABK-MBNTZHJCSA-N 285.343 3.590 30 20 CHED CC(C)Oc1cccc(C=NNc2ccccc2)c1 921253178 JUCGCRCHSBJOAY-UHFFFAOYSA-N 254.333 3.920 30 20 CHED Oc1ccc(C=NNc2cccc(F)c2)cc1Cl 921260097 RHKRACVLUORVBW-UHFFFAOYSA-N 264.687 3.631 30 20 CHED CCN(CC)[C@@H](CN[C@@H](C)CC(C)(C)C#N)c1ccco1 924856772 YANMXMHUKLNJOY-GJZGRUSLSA-N 291.439 3.580 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc2ccccc2[nH]1 926341198 CSBSSXNYEHRXBK-JOQOYGCGSA-N 284.403 3.800 30 20 CHED C[C@@H]1c2cccn2CCN1CCCCC1(C#N)CCC1 929191955 QYSTYZSWFRQPTD-OAHLLOKOSA-N 271.408 3.729 30 20 CHED C=C[C@@H](CC)CC(=O)NCc1cc(-c2ccccc2)on1 931493804 LIAJWKRUIILXDT-ZDUSSCGKSA-N 284.359 3.560 30 20 CHED CC1(CCC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 931815917 KBHTVCSSLWMMOH-UHFFFAOYSA-N 294.301 3.678 30 20 CHED C=C[C@H](CC)CC(=O)N(Cc1cccnc1)Cc1ccco1 935092554 KTELQMKORMBZEF-OAHLLOKOSA-N 298.386 3.806 30 20 CHED C=CCC1(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)CCC1 1116771329 PQKMJIZHPRFXFE-GJZGRUSLSA-N 261.409 3.772 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)C2(c3cccc(C#N)c3)CC2)C1 1118787996 IVXOHDBJNWOLRU-HUUCEWRRSA-N 296.414 3.627 30 20 CHED CC(C)C[C@H](C)CC(=O)Nc1cc(C#N)ccc1F 1129597832 OOAOOXSKKUNVKU-NSHDSACASA-N 262.328 3.708 30 20 CHED C[C@@H]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 1164146573 WQKDVSSZUKBRSP-DGCLKSJQSA-N 257.381 3.851 30 20 CHED C[C@H](Cc1cccnc1)Nc1nc(C(C)(C)C)ccc1C#N 1164342542 RAFDJJHGRZGWPI-CYBMUJFWSA-N 294.402 3.689 30 20 CHED N#C[C@@H](c1ccccc1)N1CCC=C(c2ccco2)C1 1170185376 ZIRDHDJCIUTGGW-INIZCTEOSA-N 264.328 3.634 30 20 CHED Cc1csc(NC(=O)N(C)[C@H]2CCCC[C@H]2C)c1C#N 1204890012 VEWIWHKSSGQWHT-MFKMUULPSA-N 291.420 3.971 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC(C1CC1)C1CC1 1251656677 JMXGBYKCNPKZGV-UHFFFAOYSA-N 290.451 3.991 30 20 CHED CCc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1CC 1254159444 GNTICADQMQFRDQ-UHFFFAOYSA-N 292.382 3.960 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(Cl)ncc2C)n1 1262487341 RDYRZKRZBKYXTO-UHFFFAOYSA-N 277.755 3.947 30 20 CHED CCCC[C@H](CCC)CNC(=O)c1cccc(C#N)c1 1265956879 DMZIMIYGIOYBNW-AWEZNQCLSA-N 272.392 3.895 30 20 CHED CC[C@@H]1CCC[C@@H]1Nc1ncc(Cl)c(C)c1C#N 1307068687 JJBIKELCNBRXLW-MFKMUULPSA-N 263.772 3.906 30 20 CHED COC(=O)c1ccc([C@@H](C)Sc2ccc(C#N)cc2)o1 1307291934 DPXZWTXXJCEVHB-SNVBAGLBSA-N 287.340 3.791 30 20 CHED N#CCc1cccc(NCc2cc3c(s2)CCCC3)n1 1320359822 RZGCUSQTCCKDCE-UHFFFAOYSA-N 283.400 3.700 30 20 CHED CC(C)[C@@H]1CCC[C@H](Nc2cccc(CC#N)n2)C1 1320490596 NFSDOZFLPLPPRW-HIFRSBDPSA-N 257.381 3.774 30 20 CHED C(=NN=c1cc[nH]cc1)C1CCC(c2ccccc2)CC1 1322587891 LHOMZNYVZRZXPL-UHFFFAOYSA-N 279.387 3.875 30 20 CHED CC[C@H]1CCC[C@H]1c1nnc(-c2ccc(C#N)cc2)o1 1327355747 XYYGAVBJDAVPPZ-GXTWGEPZSA-N 267.332 3.902 30 20 CHED CCC[C@@H](C)c1cc(NC(=O)c2cccc(C#N)c2C)n[nH]1 1329290344 DQCDUPJBNCYLNH-LLVKDONJSA-N 296.374 3.746 30 20 CHED C=CC1CCN(Cc2cnc(CC(F)(F)F)s2)CC1 1334140774 OLBIVLYDAXBKFZ-UHFFFAOYSA-N 290.354 3.646 30 20 CHED C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 1335942503 ZYEYAXXNHJBEOH-NXOAAHMSSA-N 293.451 3.521 30 20 CHED CCCCO[C@H]1C[C@@H](Nc2cccc(CC#N)n2)C1(C)C 1342843964 RTTYLCWFZYCDNH-CABCVRRESA-N 287.407 3.543 30 20 CHED CC[C@H](CC#N)OC(=O)c1[nH]c2ccc(C)cc2c1Cl 1343328864 TXWSOGMXOWIJKF-SNVBAGLBSA-N 290.750 3.979 30 20 CHED C=C(C)CCOC(=O)c1cc2ccccc2n1CC 1345054396 UGPXNZDFGKEULP-UHFFFAOYSA-N 257.333 3.784 30 20 CHED C=CCCc1nnc(-c2ccc(Cl)cc2OC)o1 1345846263 CTHIHUYYJNLGDO-UHFFFAOYSA-N 264.712 3.517 30 20 CHED C=C(CC)C(=O)N1CCC(c2ccnc3ccccc23)CC1 1347020725 IRWNQSZJPLUFKI-UHFFFAOYSA-N 294.398 3.907 30 20 CHED C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(C#N)cc1F 1350634577 JRVUWQWYLXQRKY-LBPRGKRZSA-N 282.318 3.531 30 20 CHED CC[C@@H](F)C(=O)Nc1ccccc1SC[C@@H](C)C#N 1353574090 RMAQCWOXJQBAAF-WDEREUQCSA-N 280.368 3.625 30 20 CHED N#Cc1ccsc1NC(=O)c1ccc(C2CC2)cc1 1354177941 BFEWDCFNKFNMPY-UHFFFAOYSA-N 268.341 3.749 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(C)cc2F)s1 1356584741 YFKPHJSESIRQTD-UHFFFAOYSA-N 288.347 3.882 30 20 CHED N#CCC1(CN2CCC[C@H]2CCc2ccccc2)CC1 1459333597 JXGWRMWBUIHEFG-KRWDZBQOSA-N 268.404 3.777 30 20 CHED Cc1cc(O)cc(NC(=O)c2cccc(SCC#N)c2)c1 1470883607 TYKBADYNMWNSDR-UHFFFAOYSA-N 298.367 3.569 30 20 CHED N#Cc1cccc(NCc2ccnc(-c3ccccc3)c2)n1 1472847094 QQDXTZVBDXVQDY-UHFFFAOYSA-N 286.338 3.627 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CCc2c(Cl)cccc21 1519152685 YSSQEDAMSDONIR-UHFFFAOYSA-N 296.757 3.723 30 20 CHED C=C(CC)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F 1519817361 LDLZJBQSLKCCPY-HNNXBMFYSA-N 279.330 3.985 30 20 CHED C=C(CC(C)C)C(=O)Nc1ccc(N(C)C)cc1C 1527452747 ZMYRSIJDMOPJPR-UHFFFAOYSA-N 260.381 3.602 30 20 CHED C=C[C@H](C(=O)N1CCC[C@H](OC2CCC2)C1)c1ccccc1 1528592374 FJRQVQHDBSYVCQ-ROUUACIJSA-N 299.414 3.516 30 20 CHED CCC(C)(C)c1ccc(C(=O)Nc2cccc(C#N)n2)cc1 1537425386 KBYRNGZWTUKQRS-UHFFFAOYSA-N 293.370 3.893 30 20 CHED CCc1ccc2c(c1)CCN2C(=O)c1cccc(C#N)c1C 1539567785 GJHAOWCJRUFMTI-UHFFFAOYSA-N 290.366 3.632 30 20 CHED C#CCCCCCCN1CC[C@H](C(=O)O)[C@@H]2CCCC[C@H]21 1588441780 KIYBTEDDYUXEDY-YESZJQIVSA-N 291.435 3.535 30 20 CHED C=CCN(CCc1ccccc1)Cc1cccc(C(=O)O)c1 1588464480 SYWUIGSRAAEIHB-UHFFFAOYSA-N 295.382 3.616 30 20 CHED C=CC[C@H]1CC[C@@H](Nc2ccc(CCC(=O)O)cc2)C1 1588770659 CBIOLVVSTWMSQT-GOEBONIOSA-N 273.376 3.861 30 20 CHED Cc1cc(C)cc(/C=C/C(=O)c2cc(C(=O)O)cs2)c1 1610454494 AFQXRIIZJACQRK-ONEGZZNKSA-N 286.352 3.959 30 20 CHED COc1ccc(NC(=O)CCCC(C)(C)C)cc1C#N 1624704146 DBYDPUMCOZFSID-UHFFFAOYSA-N 274.364 3.722 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1Nc1ccccc1 1632423548 AWDGXDWVMKMRJD-ZDUSSCGKSA-N 279.343 3.918 30 20 CHED Cc1ccc(COc2ccc(C#N)cc2F)cc1F 1643785235 JLCQRFDYSFTDQC-UHFFFAOYSA-N 259.255 3.724 30 20 CHED Cc1cc(CSc2ccc(C#N)cc2Cl)nc(C)n1 1643785661 WZQRJUKPPJIVEM-UHFFFAOYSA-N 289.791 3.911 30 20 CHED C[C@@H](CC#N)N(C)Cc1cccc(COc2ccccc2)c1 1651830735 GKJBWSOKLZAHPH-INIZCTEOSA-N 294.398 4.000 30 20 CHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccc1F 1653886407 KFMDGPJMFHXXIH-CKYFFXLPSA-N 266.747 3.822 30 20 CHED COc1cc(C#N)ccc1CN1CCC[C@H](C(C)(C)C)C1 1654281594 ZJOSGFDWQLQPIP-INIZCTEOSA-N 286.419 3.825 30 20 CHED Cc1nc(C#N)cc(N2C[C@@H](C)CC[C@@H]2c2ccccc2)n1 1655465496 ZAEBWNVASUHMJS-SUMWQHHRSA-N 292.386 3.634 30 20 CHED Cc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(C#N)cc2)cc1 1666946260 PMNPMSZODKPVLQ-DLBZAZTESA-N 291.354 3.544 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2cc(F)cc(C#N)c2)CC1(C)C 1679890514 LZHWXGIMCDQLCQ-AWEZNQCLSA-N 289.354 3.596 30 20 CHED CCCc1cccc(C=NNc2cccc(C(=O)O)c2)c1 1776036998 FOVKBURRMVYBJR-UHFFFAOYSA-N 282.343 3.783 30 20 CHED CC(CCCCCCC(=O)O)=NOCCC(F)(F)F 1776056383 GUOOVGMOZFJJPI-UHFFFAOYSA-N 283.290 3.757 30 20 CHED C=CC[C@H](CC(C)C)C(=O)Nc1ccc(C(=O)O)cc1 1776152030 UGAXZMYMQFWHKI-CYBMUJFWSA-N 275.348 3.562 30 20 CHED C=CCCCCCN1CC(C)(C)CC[C@@H]1CC(=O)O 1776173040 MLTRDUXOVFSPGR-CQSZACIVSA-N 267.413 3.698 30 20 CHED CCSCC[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 173868376 LHNNWYIQMKVPSI-KBPBESRZSA-N 292.448 3.599 30 20 CHED Cc1cccc(OCCN(C)Cc2ccc(C#N)cc2F)c1 53906623 IHDVUFJVKDPVFM-UHFFFAOYSA-N 298.361 3.517 30 20 CHED C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 57737059 NSPADICNVJDPRZ-HQAMWZJRSA-N 293.322 3.579 30 20 CHED CC[C@H](CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 103433512 YGNBGCJBSXSQNH-RHSMWYFYSA-N 272.392 3.625 30 20 CHED Cc1ccccc1CCC(=O)Nc1ccc(CC#N)cc1 51967918 SADFPSZOWUHPBJ-UHFFFAOYSA-N 278.355 3.632 30 20 CHED C[C@@H]1CCCCN1C[C@@H]1CCCN(c2ccc(C#N)cc2)C1 113924978 PBMHEQABRKHGTQ-AEFFLSMTSA-N 297.446 3.649 30 20 CHED CCOc1ccc(/C=N\[C@@H](C)c2ccccc2)c(O)c1 105812405 BGRXMSPKEZAVJP-CYUIRQCWSA-N 269.344 3.971 30 20 CHED C=CCCCN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 117879344 POIBDMZWKIATCK-UHFFFAOYSA-N 296.455 3.532 30 20 CHED C#C[C@H](C)OC(=O)c1sc2ccccc2c1Cl 174457038 AZKIFUUBPOWTGJ-QMMMGPOBSA-N 264.733 3.733 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1ccc(C#N)s1 176405014 DIZANLHGMNUEPL-VOTSOKGWSA-N 283.352 3.833 30 20 CHED C[C@H](OC(=O)c1cc(C#N)cs1)c1ccccc1F 175852361 OVHMMFSINFZVHR-VIFPVBQESA-N 275.304 3.677 30 20 CHED CCOc1ccc(C#N)cc1NCc1cccc(F)c1 63472326 XQOHKWPNIGVCQR-UHFFFAOYSA-N 270.307 3.708 30 20 CHED CCCN(CCc1cccc(F)c1)c1ccc(C#N)cn1 301263504 HLMDDUIDINYNSD-UHFFFAOYSA-N 283.350 3.551 30 20 CHED CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 119974137 MALQWHXYUQZMSO-YOEHRIQHSA-N 270.376 3.862 30 20 CHED C=CC[C@H](CO)CNC1CCC2(CCCCC2)CC1 466741090 LXGHHSCBPMMXJI-HNNXBMFYSA-N 265.441 3.654 30 20 CHED CC(C)Oc1cccc([C@H](C)NCCCCC#N)c1 179673926 NUSCDFXVIQBROL-AWEZNQCLSA-N 260.381 3.818 30 20 CHED COc1ccc(/C=C/C(=O)Nc2cc(C#N)ccc2C)cc1 63960350 BEBFHJQQWFMIMR-JXMROGBWSA-N 292.338 3.527 30 20 CHED CC(C)Oc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 171031624 LPSMRQDFFFRGIJ-UHFFFAOYSA-N 294.398 3.977 30 20 CHED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)SCC1CCCCC1 69646883 ZVLLIRVEPNOPMB-BBRMVZONSA-N 296.480 3.743 30 20 CHED C=CC[C@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1 116860160 FGONYLQYAYGBNM-VIFPVBQESA-N 272.175 3.617 30 20 CHED C=CCCC(=O)Nc1cccc(N2CCCCC2)c1 60365069 DKELOQAKPQZKCF-UHFFFAOYSA-N 258.365 3.582 30 20 CHED CC[C@H](C)Oc1ccc(NCc2ccc(C#N)o2)cc1 177555553 PAORNIOKPIRESV-LBPRGKRZSA-N 270.332 3.941 30 20 CHED C[C@@H](CNc1ccc(C#N)cc1)Oc1cccc(F)c1 301443298 JCGVPMUDKQHRBR-LBPRGKRZSA-N 270.307 3.577 30 20 CHED N#Cc1cccnc1Nc1ccc(CC(F)(F)F)cc1 301431996 QTVNKIOYMWGUAR-UHFFFAOYSA-N 277.249 3.802 30 20 CHED N#Cc1cc(Cl)ccc1NCCC[C@@H]1CCCCO1 302211861 HCCMTBRUXRHZQC-AWEZNQCLSA-N 278.783 3.973 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)C2CCCCC2)CC1 177314070 ZVALLNUNDMSCBV-HNNXBMFYSA-N 264.457 3.585 30 20 CHED CC[C@@H](C#N)Sc1cc2c(cc1Cl)OCCO2 127638392 HYQISIDOOVVJRD-QMMMGPOBSA-N 269.753 3.505 30 20 CHED Cc1ccc([C@@H](C)NCc2cccc(C#N)c2)s1 37748757 LWZPCENIAYZSCE-GFCCVEGCSA-N 256.374 3.779 30 20 CHED CCS[C@@H]1CCC[C@@H]1Nc1ccc(Cl)c(C#N)n1 301513812 FZHYFMIVPLZYJA-CMPLNLGQSA-N 281.812 3.693 30 20 CHED CC(C)C[C@@H]1CCCCN1C(=O)NCc1cccc(C#N)c1 123092339 SDMCBIUBRKFYME-KRWDZBQOSA-N 299.418 3.668 30 20 CHED CC[C@H](CC#N)NC(=O)c1sc(C2CCCC2)nc1C 183858896 KOOZMNFFPKIRCL-GFCCVEGCSA-N 291.420 3.531 30 20 CHED C=CCN(Cc1cccs1)C(=O)Cc1ccccc1C 78926069 UIVNFGXRIMKPDX-UHFFFAOYSA-N 285.412 3.814 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1COC 182887835 BGDBZXBJWVEDDX-CYBMUJFWSA-N 276.380 3.699 30 20 CHED CC(C)C[C@@H]1CCCN(C(=O)c2cccc(F)c2C#N)C1 188552084 OLGXVQOBKWVIQN-ZDUSSCGKSA-N 288.366 3.596 30 20 CHED Cc1cc(CN(CCC#N)CCC#N)c(O)c(C(C)(C)C)c1 125408077 KCMPDYREAPSPLE-UHFFFAOYSA-N 299.418 3.627 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cccc(-c2cscn2)c1 410827757 LWYXVTHHSOUHTB-CQSZACIVSA-N 299.399 3.574 30 20 CHED Cc1cccn2c(/C=C3\CCc4ccccc4C3=O)cnc12 125220194 DFPMTSBWLFWETK-RVDMUPIBSA-N 288.350 3.855 30 20 CHED Cc1c(C#N)cccc1C(=O)N[C@@H](c1ccccc1)C1CC1 509119866 BYQPYHGJSDDNOY-SFHVURJKSA-N 290.366 3.748 30 20 CHED C[C@@H](NCCCNc1ccccc1)c1ccc(C#N)cc1 181773529 SYBFLCZAOPFVQQ-OAHLLOKOSA-N 279.387 3.711 30 20 CHED C=C(C)CN(CC)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 120114094 RZDDCWHCJXVMBF-MRXNPFEDSA-N 288.435 3.837 30 20 CHED N#Cc1cnccc1/C=C/c1ccc(F)c(Cl)c1 504712693 RSNIQIXESKQCTP-HNQUOIGGSA-N 258.683 3.916 30 20 CHED COCC[C@@H](NCCC1(C#N)CCCCC1)C(C)(C)C 411689073 DZLSLPSMLHMJBK-OAHLLOKOSA-N 280.456 3.891 30 20 CHED C=C(C)CN(C)Cc1ccc(OCc2ccncc2)cc1 181279742 JQUQTEXKIIKHBW-UHFFFAOYSA-N 282.387 3.669 30 20 CHED CCCCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](C)CC 78382936 VAZKIYLKNBETBK-HNNXBMFYSA-N 286.419 3.918 30 20 CHED C=C(CC)CNCc1csc(Br)c1 313479660 HDHCPATWLXHZDQ-UHFFFAOYSA-N 260.200 3.566 30 20 CHED Cc1nn(-c2ccccc2)cc1NCc1ccc(C#N)s1 183091462 FZZYJKMXTBGSDQ-UHFFFAOYSA-N 294.383 3.726 30 20 CHED Cc1ccccc1[C@@H](C)NCc1ccc(OCC#N)cc1 34992108 QTYHCJYIKKNCPA-OAHLLOKOSA-N 280.371 3.748 30 20 CHED C=C[C@H](C)NC(=O)Cc1csc2ccc(Cl)cc12 122017788 GWFYAVPQSZBZGU-VIFPVBQESA-N 279.792 3.788 30 20 CHED C[C@@H](NCCC1(C#N)CCCCC1)c1cccc(O)c1 411458313 QBFGYGIPBTWGBY-CQSZACIVSA-N 272.392 3.907 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1c1cccc(F)c1 185236592 OHAAWRCCVODKEK-MRXNPFEDSA-N 273.351 3.683 30 20 CHED CCSc1cccc(CN(CC)C[C@@H](C)C#N)c1 186190921 YQNCMKUEUUIICW-ZDUSSCGKSA-N 262.422 3.780 30 20 CHED C[C@@H](NCc1cccc2cc[nH]c12)c1ccc(C#N)cc1 218139685 ZRIXNEZEUCXMIH-CYBMUJFWSA-N 275.355 3.890 30 20 CHED CCCCCCCCCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C 120788278 CHJMHIBMHIJOLD-DLBZAZTESA-N 296.499 3.926 30 20 CHED C=CCCCNc1ccc(C)c(C(=O)NC(C)C)c1 77246031 HHVXBINFJUKLPI-UHFFFAOYSA-N 260.381 3.511 30 20 CHED CC(C)C[C@@H](C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 416706403 XWVQRQIDBSOLHM-CXAGYDPISA-N 299.418 3.669 30 20 CHED N#Cc1ccnc(SCc2nc3ccccc3s2)c1 77905565 GVFFRCWVTJGJDF-UHFFFAOYSA-N 283.381 3.855 30 20 CHED CC(C)COc1ccc(OCC2(C#N)CCC2)cc1 418985571 FVULMLFEHNMTBX-UHFFFAOYSA-N 259.349 3.794 30 20 CHED Cc1occc1CN(C)[C@H](C)c1cccc(C#N)c1 186971266 RUZMQJWQBJVRPT-GFCCVEGCSA-N 254.333 3.653 30 20 CHED C#CCOc1ccccc1CNc1ccc(C)cc1OC 37783492 DCZLUCWDJFJRSF-UHFFFAOYSA-N 281.355 3.628 30 20 CHED CCN(Cc1ccccc1Cl)C[C@H](C#N)CCC#N 75733751 BDQRLOSNMLYWQW-ZDUSSCGKSA-N 275.783 3.605 30 20 CHED CC(C)Cn1cc(/C=C2/Cc3cc(F)ccc3C2=O)cn1 180737457 PLSMREZWPUCAAA-RZNTYIFUSA-N 284.334 3.501 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1F 211731680 LWRFPVWOAXOHQG-YFHOEESVSA-N 271.247 3.630 30 20 CHED N#Cc1cccc(OCCCSc2cccc(O)c2)c1 185655025 QIWLGSXKALHLAU-UHFFFAOYSA-N 285.368 3.825 30 20 CHED C=CCOc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)c1 72025630 AJUZBWBEWIHWJR-XJKSGUPXSA-N 288.391 3.952 30 20 CHED C#Cc1cccc(NC(=O)Nc2cccc3ccn(C)c23)c1 189466758 CEEBIOKRWPLYPO-UHFFFAOYSA-N 289.338 3.804 30 20 CHED C=CCN(Cc1cccs1)[C@H](C)c1ncc(C)o1 411137542 OTPWDNSMMHKLHL-GFCCVEGCSA-N 262.378 3.794 30 20 CHED C=CCSCC(=O)N1CCc2sccc2[C@H]1CC 44400660 FECHOYYDTBUPNO-GFCCVEGCSA-N 281.446 3.503 30 20 CHED N#C[C@H]1CCC[C@@H](Nc2ccccc2OCC2CC2)C1 185730259 JLLZCAFCJMQHAG-LSDHHAIUSA-N 270.376 3.970 30 20 CHED C=CCCCCCN(C)Cc1ccccc1[N+](=O)[O-] 610079886 CJABOTJHGZCLJG-UHFFFAOYSA-N 262.353 3.773 30 20 CHED CC[C@@H]1[C@@H](C)CCN1Cc1ccc(O[C@@H](C)C#N)cc1 187583608 KPHVLYRVXDRMGO-GRDNDAEWSA-N 272.392 3.598 30 20 CHED C=CC[C@H](CC)NC(=O)c1cccc(OC(F)(F)F)c1 410127369 MAXOPOQTFIUELQ-NSHDSACASA-N 287.281 3.670 30 20 CHED Cc1nc(Cl)ccc1NCc1cccc(C#N)c1 83429324 UONYXLUQFKZGKH-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=C[C@H]1CCCCN1Cc1cc2ccc(F)cc2[nH]1 426554172 GMEKSZPRAXIOOG-HNNXBMFYSA-N 258.340 3.848 30 20 CHED COc1cccc(/C=N/CCc2cc3ccccc3[nH]2)c1O 135056241 QJVPUSGVODBVGS-XDHOZWIPSA-N 294.354 3.544 30 20 CHED Oc1ccccc1/C=N/[C@H](C[C@@H]1CCOC1)c1ccccc1 133123483 NPJZBJWQZGWIBJ-QFMVETKASA-N 295.382 3.979 30 20 CHED CCCc1nc(C)c(CN(CCC#N)CC(C)(C)C)o1 428218828 CRSFVAPWRGDGSS-UHFFFAOYSA-N 277.412 3.697 30 20 CHED C[C@@H](/N=C(/O)c1ccc2c(c1)N=C(O)C2(C)C)c1ccon1 328998478 GCUMQJWMXHPUKZ-SECBINFHSA-N 299.330 3.620 30 20 CHED C[C@H](Oc1ccc(C#N)cc1)c1ncc(C(C)(C)C)o1 89124133 KFRYPRFBYDWHGG-NSHDSACASA-N 270.332 3.984 30 20 CHED C[C@@H]1CC=CC[C@H]1/C(O)=N/CC1CCC(C#N)CC1 328871003 IGDBHIYXEYDJOH-XSCHDIRWSA-N 260.381 3.875 30 20 CHED CCCN(CC1CCCCC1)C(=O)NCC(C)(C)C#N 512902716 RASYEIZDFPQLGO-UHFFFAOYSA-N 279.428 3.538 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCCC(C)(C)C2)CC1 136078840 IMYMUWPHKODVRO-INIZCTEOSA-N 264.457 3.585 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(C#N)cc1Cl 426162406 POHOIRKMBXKITH-UHFFFAOYSA-N 277.755 3.642 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)CCCOc1ccccc1 190440579 ZALXWGIVAYLIIA-QGZVFWFLSA-N 275.392 3.516 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(Cc3cc(C#N)n(C)c3)C2)cc1 426540643 QGNZNSGICWDNJE-MAUKXSAKSA-N 293.414 3.583 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)Cc1cc(C)ccc1F 424806441 ICLSUROXAISMDU-UHFFFAOYSA-N 263.356 3.695 30 20 CHED N#Cc1ccc(N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)nc1 339139139 AUSZEZIVWKCDIM-QSPRXWTASA-N 281.403 3.748 30 20 CHED C=CC[C@H](C)N[C@H]1CCSc2ccc(OC)cc21 191532396 RHXHZBPWLRXBCV-FZMZJTMJSA-N 263.406 3.786 30 20 CHED CC[C@H](N/C(O)=N/CC1CCCCC1)c1c(C)noc1C 330476753 VJZBALALGNCMGV-AWEZNQCLSA-N 293.411 3.826 30 20 CHED N#Cc1ccccc1COc1ccc([C@H]2CCOC2)cc1 190292932 DOEOZGBFCISVGK-KRWDZBQOSA-N 279.339 3.641 30 20 CHED C=CCC(C)(C)C(=O)NCCc1ccc(OC(C)C)cc1 517658938 VQRUQDVCUAJLHK-UHFFFAOYSA-N 289.419 3.735 30 20 CHED CC(C)c1ncsc1/C(O)=N/CC(C)(C)[C@H](O)C(C)C 331316631 JHASPCYWZJKRQK-CYBMUJFWSA-N 298.452 3.614 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCC2 424126576 OZLWVWVRZRNOEJ-IIYDPXPESA-N 254.377 3.518 30 20 CHED C=CCOc1ccc(CN(C)[C@H](C)CC#N)cc1Cl 93090436 WYLPVIKGCVXKAQ-GFCCVEGCSA-N 278.783 3.639 30 20 CHED N#Cc1csc(CNCCSc2ccccc2)c1 93492172 YPHUJZLCVPHQHW-UHFFFAOYSA-N 274.414 3.502 30 20 CHED C=C(CNC(=O)N1CCC(CC)CC1)c1ccccc1 512670657 ATAZLPVXKDMCBN-UHFFFAOYSA-N 272.392 3.531 30 20 CHED N#Cc1ccc(CNCc2cc(Cl)cs2)cc1 93094620 DRDVIYZWMKRBHJ-UHFFFAOYSA-N 262.765 3.563 30 20 CHED N#Cc1cccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 432914082 HTHHGCNLELSKKX-JKSUJKDBSA-N 283.375 3.649 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CCc1ccco1 432261250 ABKQUCBVZIRTLX-LBPRGKRZSA-N 297.358 3.603 30 20 CHED CC(C)(C#N)CC(=O)N1CC2(CCC2)c2c(F)cccc21 335163732 GQDMHVBYIGJYRZ-UHFFFAOYSA-N 286.350 3.534 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(Cl)cc1C#N 435593051 ORLLQOQYMNZKLK-IAQYHMDHSA-N 276.767 3.605 30 20 CHED N#CCc1ccccc1NC(=O)c1ccnc2ccccc12 339165561 BSTYGUALKVJWJF-UHFFFAOYSA-N 287.322 3.553 30 20 CHED COc1c(Cl)cc(Cl)cc1CNCC1(CC#N)CC1 430026533 ZVFJFBHTJTYETL-UHFFFAOYSA-N 299.201 3.785 30 20 CHED C[C@@H](N[C@@H]1CCOc2c(F)cccc21)c1ccc(C#N)cc1 336447007 OFASKYVZUKUVDD-SJKOYZFVSA-N 296.345 3.872 30 20 CHED N#Cc1ccc(N[C@H]2CCCc3ccc(F)cc32)nc1 92976418 HTYCSMGJHBVTBO-HNNXBMFYSA-N 267.307 3.582 30 20 CHED C=C(C)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1 247258569 VCMOBMHQEQTYLR-LSDHHAIUSA-N 279.449 3.992 30 20 CHED C=CC[C@H](C)NC(=O)c1coc(-c2ccccc2Cl)n1 345307745 MYVGDPJMLLVKDW-JTQLQIEISA-N 290.750 3.689 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(C(F)F)cc1 345913019 RKEJDZWCPGPCRB-UHFFFAOYSA-N 280.318 3.684 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc(C(C)C)nc1 343262865 WAMBPNTUEHYFQO-ZDUSSCGKSA-N 260.381 3.680 30 20 CHED C[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1Cl 430765964 WKZUHEPFPGGMER-SNVBAGLBSA-N 266.747 3.824 30 20 CHED C=CCC[C@@H](NC(=O)NCCCC)c1ccccc1 434992008 PWXVRFWSLSPYQR-OAHLLOKOSA-N 260.381 3.793 30 20 CHED CCSc1ccc(C(=O)NCC(C)(C)CCC#N)cc1 345878678 DTZGLELIVOTJOZ-UHFFFAOYSA-N 290.432 3.858 30 20 CHED C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(C#N)c1 245654711 CWISCLWLVAJZPC-LIRZEXBASA-N 296.414 3.557 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1CC[C@H](C)C1 345061051 SOPCOZSCJPBTGB-STQMWFEESA-N 263.406 3.699 30 20 CHED C=CCN(C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1)C1CC1 347908693 HJAHISSTCNTOHZ-BPUTZDHNSA-N 279.424 3.537 30 20 CHED CSc1cc(C(=O)NCC(C)(C)CCC#N)ccc1F 345933812 BVYWQGAYSOZSEP-UHFFFAOYSA-N 294.395 3.607 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@@H](CC)C1CCCCC1 604897661 USLPPVQMOLZPRH-OCCSQVGLSA-N 252.402 3.609 30 20 CHED CN(CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1C#N 432150886 OTOKNUXBUNAPMD-UHFFFAOYSA-N 281.281 3.563 30 20 CHED CO[C@H](c1ccccc1)[C@H](C)NCC(C)(C)CCC#N 348209220 XCMCYEXQQXYAEV-HOCLYGCPSA-N 274.408 3.682 30 20 CHED C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CCC[C@H]1C1CC1 602692608 BMVSRXXTMVRHMD-PVAVHDDUSA-N 290.451 3.501 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)cc1 609043106 XUTMJUOYSDUXFY-MRXNPFEDSA-N 293.370 3.701 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)CC1CCCCC1 437485298 YBDAGHWGICUASW-OIISXLGYSA-N 293.451 3.690 30 20 CHED CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CC#N 343977332 QVTKVKQJROKQRA-UHFFFAOYSA-N 276.767 3.548 30 20 CHED CCC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccn1 609585813 NTBCTNZZVCPCPK-CQSZACIVSA-N 296.330 3.815 30 20 CHED C[C@@H]1CCCN(C(C)(C)CNc2cccc(F)c2C#N)C1 524265977 LTIZEFHERXSPDP-CYBMUJFWSA-N 289.398 3.620 30 20 CHED Cc1ccc(C)c(CSc2ncc([N+](=O)[O-])cc2C#N)c1 609384141 ROQUTYXWUQSTJL-UHFFFAOYSA-N 299.355 3.771 30 20 CHED CCO[C@@H]1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1(C)C 341712508 QFBATMIXPOTLKD-FGTMMUONSA-N 298.430 3.729 30 20 CHED Cn1nccc1/C=C\C(=O)c1cccc(Cl)c1Cl 255638049 NVNKPNWJSOECET-WAYWQWQTSA-N 281.142 3.623 30 20 CHED CCc1ccc([C@@H](C)C(=O)N(CC#N)c2ccccc2)cc1 609020615 KCGWPMYWGGRURH-OAHLLOKOSA-N 292.382 3.909 30 20 CHED CC[C@H]1CCCC[C@@H]1c1noc(-c2ccc(C#N)[nH]2)n1 341170017 JOYDEEFMMPRFLS-JQWIXIFHSA-N 270.336 3.620 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCC(CC)CC 523435180 NBOCNTBRVJVWQJ-UHFFFAOYSA-N 292.398 3.960 30 20 CHED Cc1cc(COc2cccc(C(F)(F)F)n2)ccc1C#N 447287871 MIYBNNQAZVYVDU-UHFFFAOYSA-N 292.260 3.860 30 20 CHED C=C(C)CN(Cc1csc(C)c1)Cc1ccc(CO)o1 449318740 DTZUHIKXVPCSCP-UHFFFAOYSA-N 291.416 3.720 30 20 CHED Cn1c(CNc2cccc(C#N)c2)nc2ccc(Cl)cc21 355738788 JKWDLMZGQPZZOF-UHFFFAOYSA-N 296.761 3.710 30 20 CHED CCN(CC#N)C(=O)c1ccccc1Oc1cccc(C)c1 440724065 JNUSMOQCYWGSIK-UHFFFAOYSA-N 294.354 3.773 30 20 CHED C=CCCCCCOc1cccc(C(=O)N(C)CC)c1 447318062 PVPUGWVYCXQRSW-UHFFFAOYSA-N 275.392 3.904 30 20 CHED Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)s1 601297494 AQWKJBIJAJELAH-VHSXEESVSA-N 289.379 3.874 30 20 CHED CC(C)N(CCC#N)Cc1cccc(-c2ccccn2)c1 535077557 VUKCKAOEEKOBTH-UHFFFAOYSA-N 279.387 3.873 30 20 CHED C=CCC[C@H](Nc1nnc(C)c(C)n1)c1ccccc1 359762935 BETFHPQRMVUFGJ-HNNXBMFYSA-N 268.364 3.608 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(F)(F)F)s1 449548242 LVIWYVHSDPIPSF-MNOVXSKESA-N 291.338 3.590 30 20 CHED C=C(C)[C@H](CC(=O)NCC1CCC(CC)CC1)OCC 533676832 XMBRGTRGEBDFGX-GPANFISMSA-N 281.440 3.690 30 20 CHED C=C(C)COc1cc(CN2C[C@@H](C)C[C@@H]2C)ccc1OC 539820688 CZGIOUVGHZHCEN-GJZGRUSLSA-N 289.419 3.880 30 20 CHED C=CC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 537627952 UUEJTTINHSWJCX-ALCCZGGFSA-N 272.348 3.506 30 20 CHED CCC[C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 610972216 SWIFEITXDZXMJN-DZGCQCFKSA-N 273.380 3.519 30 20 CHED C=CCn1c(C2CCC2)nnc1N1CCC[C@H]2CCC[C@H]21 351169135 QKNRQEMOPJBWQU-UKRRQHHQSA-N 286.423 3.501 30 20 CHED C=CCCNC(=O)[C@H](CCC)c1ccc(Cl)cc1 617611550 CBJSWFGSKFOBNO-CQSZACIVSA-N 265.784 3.916 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1cscc1C 538358895 VSJGQIBWSSTVNA-NSHDSACASA-N 252.383 3.923 30 20 CHED N#C[C@@H](NC(=O)C1CCCC1)c1c(Cl)cccc1Cl 264306130 BDKCEYQENWZARO-GFCCVEGCSA-N 297.185 3.864 30 20 CHED C[C@H](C[S@](=O)Cc1cccc(C#N)c1)c1ccccc1 359438730 NFTZWGNVISZOHK-VLIAUNLRSA-N 283.396 3.611 30 20 CHED C[C@H]1CCCCN1C(=O)c1c(Cl)cc(C#N)cc1Cl 619242146 BFCKWNDCMCNKHK-VIFPVBQESA-N 297.185 3.880 30 20 CHED Cc1cccc([C@H](C)NCCOc2cccc(C#N)c2)c1C 538188105 LZSCMSGNCZTLQZ-INIZCTEOSA-N 294.398 3.905 30 20 CHED CC[C@@H](NCCc1ccccc1F)c1ccc(C#N)cc1 447519458 QMJLQRSAHHRJMZ-GOSISDBHSA-N 282.362 3.981 30 20 CHED N#C[C@@H]1CCC[C@@H](NC2CCc3ccccc3CC2)C1 449587528 HJWQFZIDLQRLOH-RDTXWAMCSA-N 268.404 3.606 30 20 CHED CCc1ccc([C@@H](C)NC(=O)N2CCC[C@](C)(C#N)C2)cc1 612092697 PTINQZKYEOVNPW-RDTXWAMCSA-N 299.418 3.645 30 20 CHED N#Cc1cc(F)ccc1CN[C@@H](c1cccs1)C1CC1 537159245 KBGLLKMYDUUNKH-MRXNPFEDSA-N 286.375 4.000 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)CC[C@H]2N(C)C 456305318 HWUVJVVVYWNYJR-SJLPKXTDSA-N 286.419 3.776 30 20 CHED N#CCCCCSc1ncc(-c2ccccc2)[nH]1 610777688 LGODDQYEVLDKMF-UHFFFAOYSA-N 257.362 3.863 30 20 CHED C[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 610726198 JCDPLPCKGZIZHD-RDBSUJKOSA-N 270.376 3.562 30 20 CHED CN(C)[C@H](CNc1cccc(Cl)c1C#N)c1ccco1 266390375 VQFPTQFNZNNAAZ-CQSZACIVSA-N 289.766 3.519 30 20 CHED CC[C@H](C)Oc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1 610540939 RWNODPBOSJHRDQ-ZFWWWQNUSA-N 288.391 3.532 30 20 CHED C=CCC1(NC(=O)CCc2cncc(F)c2)CCCCC1 456372570 UUBLQPBRIQLAMM-UHFFFAOYSA-N 290.382 3.549 30 20 CHED C=CC(C)(C)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 450077162 VUJQDVOOEPSDTQ-WDEREUQCSA-N 277.330 3.684 30 20 CHED Cc1c(Cl)cnc(N(C)Cc2ccsc2)c1C#N 612067586 JAQBSZNLEUZOAU-UHFFFAOYSA-N 277.780 3.613 30 20 CHED COC1(CCN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCC1 549464356 WYDFWGIGSQXVQU-ROUUACIJSA-N 298.430 3.717 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc2ccccc2n1 453361208 QLPZRXDBEMQXPX-XWIAVFTESA-N 282.387 3.619 30 20 CHED Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 278615731 FXAFHSMSOVEOBD-UNEWFSDZSA-N 254.377 3.654 30 20 CHED N#CC1(c2nc(-c3ccccc3C(F)(F)F)no2)CCC1 273788126 UQXXNZMDQRZBQB-UHFFFAOYSA-N 293.248 3.701 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)c(O)c(C)c1C 277165749 SYWAZPCDUNLWCZ-INIZCTEOSA-N 261.365 3.858 30 20 CHED Cc1cc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)[nH]n1 276054460 PGIPVBPLULISFG-CQSZACIVSA-N 294.402 3.530 30 20 CHED CC[C@@H](c1ccccc1)N(CC)Cc1cc(C#N)n(C)c1 361509474 VCUUGNYQYNHQRD-SFHVURJKSA-N 281.403 3.870 30 20 CHED C=CCCCC(=O)NC[C@H](COC)c1ccc(Cl)cc1 452748988 LCQCHSQFJCSONU-CQSZACIVSA-N 295.810 3.543 30 20 CHED C=CCC[C@H](CC)NC1(c2noc(C(F)F)n2)CCC1 366486793 YGYVXFWOGWSABB-JTQLQIEISA-N 285.338 3.721 30 20 CHED CC[C@H](NC[C@@H](C#N)CCC#N)c1ccc(Cl)s1 273521723 QRGMVWSQLQPONG-MNOVXSKESA-N 281.812 3.886 30 20 CHED C=C(C)CCNC(=O)N(CC)Cc1ccc(Cl)s1 455304790 CZUCGSOOAKYJBR-UHFFFAOYSA-N 286.828 3.899 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cccc(C2CC2)c1 453357785 NWFOCQVHHKAHJA-GUYCJALGSA-N 259.393 3.542 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1CSC)OCC 273548181 KXKGJTWVEYAVQM-OAHLLOKOSA-N 293.432 3.859 30 20 CHED CC(C)(CC#N)CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 458376555 DWJCDPHPWCKDMP-JKSUJKDBSA-N 299.418 3.562 30 20 CHED CC1(C)CC[C@@H](C(=O)N[C@H](C#N)c2ccccc2Cl)C1 541959983 GURAUGFGHPXOIS-BXUZGUMPSA-N 290.794 3.847 30 20 CHED CC(C)(C#N)CC(=O)N1CCC[C@]1(C)Cc1ccccc1 278910817 ZWDALHLNDRIRTF-GOSISDBHSA-N 284.403 3.550 30 20 CHED N#CCc1ccc(C(=O)NCCC2=CCCCCC2)cc1 545922905 BXBYUSWZZZUJHQ-UHFFFAOYSA-N 282.387 3.763 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](CCc1ccccc1)C(F)F 628761628 IWEJPGRSIHTUAI-RHSMWYFYSA-N 295.373 3.971 30 20 CHED C=CC[C@H](C)NC(=O)c1cc2ccccc2n1CCC 469377119 MWWSQIRXUVGJIW-ZDUSSCGKSA-N 270.376 3.746 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 462062365 XKPDZEMULBPTGC-DOTOQJQBSA-N 298.430 3.946 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc(NC)ccc1Cl 622185224 ZBYHRGUCGBVJEC-UHFFFAOYSA-N 280.799 3.856 30 20 CHED C=CCCC(C)(C)NC(=O)CCc1ccccc1C 620861397 OPOJNVPAMMFETR-UHFFFAOYSA-N 259.393 3.789 30 20 CHED CC[C@](C)(C#N)C(=O)N1C[C@@H](C(C)C)c2ccccc21 287278805 YRTNSUYEBZMZEV-WMLDXEAASA-N 270.376 3.713 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(N2CCCCCC2)cc1C 287328857 VTLKSJKVNDSEEE-HNNXBMFYSA-N 299.418 3.519 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)C[C@@H]1CCCCC1(C)C 558212055 BYOHDSVAWFQXHA-BBRMVZONSA-N 296.480 3.744 30 20 CHED C=CCCN(C)C(=O)N[C@H](CC(C)C)c1ccccc1 466952721 GJJLQOJEBGDCMG-MRXNPFEDSA-N 274.408 3.991 30 20 CHED CC[C@@H](Nc1ncccc1C#N)c1ccc(OC)c(OC)c1 286400366 PNQXPDCUMVZYFA-CQSZACIVSA-N 297.358 3.534 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCc2ccc(Cl)cc21 467954399 OWAAFPKCUCVDAC-HNNXBMFYSA-N 263.768 3.831 30 20 CHED C[C@H](C1CCCCC1)N(C)C(=O)c1cc(C#N)cs1 283733862 ZRQWWNCZUAVEJM-LLVKDONJSA-N 276.405 3.661 30 20 CHED C=CCCN(C)C(=O)NC[C@H](Cc1ccccc1)C(C)C 469136351 UHXDXRMZGQRJBK-KRWDZBQOSA-N 288.435 3.719 30 20 CHED CC[C@@](C)(C#N)C(=O)NCCCCCc1ccc(F)cc1 286755144 KEWKKPXJRWDCQI-KRWDZBQOSA-N 290.382 3.595 30 20 CHED O=C(NCC#Cc1ccccc1)c1cccc2ccsc12 464564014 SPMPBYMIBPXJII-UHFFFAOYSA-N 291.375 3.683 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1coc(CCC)n1 280148847 UGTXEBNPKYUERC-UHFFFAOYSA-N 298.386 3.846 30 20 CHED C=CCC(C)(C)C(=O)NC[C@H](C)Oc1cccc(Cl)c1 556361124 DZGBZFJSCOZJJU-LBPRGKRZSA-N 295.810 3.826 30 20 CHED C=CC[C@H](CC)NC(=O)N(CC)Cc1ccc(OC)cc1 281202266 BXLUVBHGGIWKIF-HNNXBMFYSA-N 290.407 3.581 30 20 CHED C=CCCC(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 280188820 MAMOFKJCLPRMED-DZGCQCFKSA-N 261.340 3.544 30 20 CHED C=CC[C@@H](C)NC(=O)N1CC(C)(C)[C@H]1c1cccs1 288776756 GWGCPXGZYSVLBX-DGCLKSJQSA-N 278.421 3.805 30 20 CHED C=C1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 281209148 JPWUKXZQDCKNGD-UHFFFAOYSA-N 269.388 3.749 30 20 CHED N#CC1(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 559334010 BWZSNSRKAJJGLU-INIZCTEOSA-N 270.351 3.655 30 20 CHED C=C(C)CN(C)C(=O)CCc1cc(Cl)cc(Cl)c1 479248756 QNBZLEUGDWYUDQ-UHFFFAOYSA-N 286.202 3.961 30 20 CHED Cc1ccc(C#N)cc1OCCCCOC(C)(C)C 473679099 HZFIRSRVUJITRT-UHFFFAOYSA-N 261.365 3.841 30 20 CHED CCCCCCCC[C@H](O)CCC(=O)N1CCC[C@H]2C[C@H]21 804290456 HKPPLRZYRZJRIZ-YESZJQIVSA-N 295.467 3.889 30 20 CHED N#CCSCCCOC(=O)C1CCCCCCC1 805462640 CZLRYCUWHIQIQH-UHFFFAOYSA-N 269.410 3.537 30 20 CHED Cc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)s1 557898728 DNCLZAOOLFPTHJ-OAHLLOKOSA-N 276.405 3.649 30 20 CHED C[C@H](C#N)OCCNC(C)(C)CC1CCCCCC1 801947429 UWLMTQFVPCTKGB-CQSZACIVSA-N 266.429 3.644 30 20 CHED C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 294575799 VSRKOKVCJRHWIV-JTQLQIEISA-N 283.318 3.677 30 20 CHED CC#CC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 801196030 JFOPYQDIZKWZAO-CQSZACIVSA-N 297.423 3.706 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CCCOC(C)C 470644901 NJJZGTQNLNJISA-UHFFFAOYSA-N 289.419 3.797 30 20 CHED CC(C)(C)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 475624851 NKIPVRNPORRYOG-LBPRGKRZSA-N 262.422 3.878 30 20 CHED C[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1c1ccccc1 565015768 PWSHIBDMDROBIJ-SIXWZSSISA-N 294.398 3.680 30 20 CHED Cc1nc(C(=O)N2CCC(C)(CC(C)C)CC2)ccc1C#N 290678831 QEJGFLFKTJVNCY-UHFFFAOYSA-N 299.418 3.550 30 20 CHED C=CC(C)(C)C(=O)NCc1ccc(C(F)(F)F)cc1 294242560 CHRALLUMFKHWPG-UHFFFAOYSA-N 271.282 3.534 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC(C)(C)[C@H]1c1ccncc1 293232281 CVHRDXXSMKBTDI-HUUCEWRRSA-N 287.407 3.529 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)nc1C 298791258 YKXGJNQYKQQGTN-UHFFFAOYSA-N 293.370 3.752 30 20 CHED CCN(CCc1ccccc1)c1nc(Cl)c(C#N)s1 804356317 GIMDETXMUSXNMT-UHFFFAOYSA-N 291.807 3.737 30 20 CHED C#C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)s1)C(C)(C)C 807884136 VDYLMTFGHINWLW-MWLCHTKSSA-N 283.824 3.669 30 20 CHED C=CCCCCCCCCNC(=O)C1=COCCC1 807843425 KCGMSIMVHITMAO-UHFFFAOYSA-N 265.397 3.714 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCC#N 291675401 KVHMFRWARWLEOY-GFCCVEGCSA-N 287.388 3.713 30 20 CHED C#CCCCCC(=O)OC[C@@H](OC)c1ccc(Cl)cc1 801302705 SIMVHKYSWHVZML-OAHLLOKOSA-N 294.778 3.764 30 20 CHED CC(C)N(CC1CCC1)C(=O)c1ccc(Cl)c(C#N)c1 562472766 UJLJDOFBWSXNAT-UHFFFAOYSA-N 290.794 3.862 30 20 CHED CCC[C@@H](N=c1ccc(C#N)c(C)[nH]1)c1ccccc1 487930449 FVOVALYKMNCPBY-MRXNPFEDSA-N 265.360 3.637 30 20 CHED CCC(=NOCCOC(C)C)c1cccc(Cl)c1 812240988 ZJULVHFHLMHDMZ-UHFFFAOYSA-N 269.772 3.896 30 20 CHED C=CCCCCCCCNC(=O)[C@H]1CCC(=O)[C@@H](C)C1 811589922 LUNKJKDNTCWVRV-GJZGRUSLSA-N 279.424 3.635 30 20 CHED C=CCCCS(=O)(=O)N1CCC[C@H](C)c2ccccc21 489640508 BAJHRXYVZJTWTJ-AWEZNQCLSA-N 293.432 3.686 30 20 CHED C=CCC(F)(F)C(=O)NC1CCC(C(C)C)CC1 815821546 YRMVECHXKZOEJY-UHFFFAOYSA-N 259.340 3.529 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2n1C 819937304 CSGKAAIBAZUNDY-RDBSUJKOSA-N 295.386 3.576 30 20 CHED O=C(O)c1ccccc1NN=Cc1cc2ccccc2o1 812446169 QKFFPLZQSZSJCY-UHFFFAOYSA-N 280.283 3.577 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@@H](F)C2)cc1OC 569120570 ZSCRBPHSPHWHCQ-HUUCEWRRSA-N 293.382 3.630 30 20 CHED CC(C)(NC(=O)c1ccc(CC#N)cc1)c1ccccc1F 561708730 CCRYQUNWHXHNPJ-UHFFFAOYSA-N 296.345 3.557 30 20 CHED C[C@H](CCCc1ccccc1)C(=O)Nc1cccc(C#N)n1 563174058 BYPCVWHSUBLOKN-CQSZACIVSA-N 293.370 3.551 30 20 CHED C=CCC1(NC(=O)NCc2ncc(C)s2)CCCCC1 562668669 HAFGRCLCCXJCDG-UHFFFAOYSA-N 293.436 3.530 30 20 CHED CC[C@@H]1CN(Cc2cc(C#N)cs2)c2ccccc2O1 484738185 MRSCKQQQQFYTMM-CYBMUJFWSA-N 284.384 3.797 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1ccnc(Cl)c1 815637290 SDKUNMPULCXDBJ-NSHDSACASA-N 252.789 3.988 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(OC(F)F)cc1 488399390 QISSTSZVMUDMHX-UHFFFAOYSA-N 292.285 3.528 30 20 CHED C=CCC(C)(C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 578109070 BQVYRIKWFJYDAB-UHFFFAOYSA-N 287.319 3.807 30 20 CHED FC(F)(F)CON=C1CC[C@H](Cc2ccccc2)C1 814879848 HVSUPQFVGXGAIR-GFCCVEGCSA-N 271.282 3.964 30 20 CHED Fc1ccc(Br)cc1C=NOC/C=C\Cl 811670121 YFGPNRWYWZDVNO-YHHAPTPFSA-N 292.535 3.691 30 20 CHED Clc1ccc(C#CCSc2nc3c([nH]2)CCC3)cc1 487923734 WOJORFNOXAKVJV-UHFFFAOYSA-N 288.803 3.696 30 20 CHED C=CCCCCC[C@H](C)NCc1nnc(CC)s1 810261875 ZBCBAQPTHWKXQK-LBPRGKRZSA-N 267.442 3.715 30 20 CHED C[C@H]1C(=NNCC2(C)CCCC2)CC[C@@H](C(=O)O)C1(C)C 814937984 SWFLPVJEEMEXEF-STQMWFEESA-N 294.439 3.669 30 20 CHED CC(C)Oc1ccc(/C=C\c2ncccc2C#N)cc1 486073098 BYSVKIXMPGBVPP-YFHOEESVSA-N 264.328 3.911 30 20 CHED N#CCC[C@H](NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1ccccc1 571032222 BWHUVYGCPOWJOY-TWMKSMIVSA-N 282.387 3.584 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCc2ccc(F)cc21 484863441 XWMBLUJOMCWOBS-LBPRGKRZSA-N 266.319 3.821 30 20 CHED CC(=NNc1ccc(F)cc1F)c1ccc(O)cc1F 729931551 LOURSDVRAVJMAS-UHFFFAOYSA-N 280.249 3.646 30 20 CHED Cc1cccc(-c2n[nH]cc2C=NOCCC2CC2)c1 814246462 NSKKSDBKXUVQBF-UHFFFAOYSA-N 269.348 3.536 30 20 CHED CC(=NNc1ncnc2sccc12)c1ccc(O)c(C)c1 728226069 GRMFWLKCXURCKT-UHFFFAOYSA-N 298.371 3.541 30 20 CHED C=CC[C@H](C(=O)O[C@@H](C)c1cc(C)on1)c1ccccc1 810790114 NQIYMUIDMKWXRT-ZFWWWQNUSA-N 285.343 3.947 30 20 CHED CCC(CC)[C@H](C)C(=O)N1CCc2ccc(C#N)cc21 573621460 VZOMDIQDMVVQRP-LBPRGKRZSA-N 270.376 3.520 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H](CO)CC1CCC1 480844454 OJWNGUHPGABFFV-CYBMUJFWSA-N 298.308 3.540 30 20 CHED C=CCC[C@H](NC(=O)NCC(C)(F)F)c1ccccc1 574900217 XVQWJEZUEXXNLL-ZDUSSCGKSA-N 282.334 3.648 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)c1cccc(OC)c1 488882244 UZWOWCBDDUNDJE-GDBMZVCRSA-N 287.403 3.756 30 20 CHED CCOc1ccc(/C=N/CCSC(C)(C)C)c(O)c1 727265759 XKSLYXUFOHULSQ-LFIBNONCSA-N 281.421 3.742 30 20 CHED FC(F)Oc1ccc(NN=C/C=C\c2ccco2)cc1 726427442 XJRIXKSEFMLACU-ISMQKLQZSA-N 278.258 3.992 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H]1c1ccc(F)cc1 825079009 MNMAIMNLHQTFLW-SWLSCSKDSA-N 261.340 3.701 30 20 CHED CCc1cc(CN(C)[C@@H](C)CC#N)c(O)c(C(C)(C)C)c1 728902989 ZYRNBGYNVXICGH-ZDUSSCGKSA-N 288.435 3.986 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H](c1ccccc1C)C1CC1 497634201 QHQZVAIVPQQUSZ-MRXNPFEDSA-N 272.392 3.664 30 20 CHED CC(CC(C)(C)c1ccccc1)=NNc1ccc(C)nn1 729937757 CEWRJUUSFYSWMW-UHFFFAOYSA-N 282.391 3.941 30 20 CHED C#CCCOC(=O)c1c(C)n(CCC)c2ccc(OC)cc12 727042531 IOSMSRSCPVRIRR-UHFFFAOYSA-N 299.370 3.548 30 20 CHED Cc1nc(C(C)C)ccc1CN1CCC(CC#N)CC1 576012092 UORXEZBMTVRFDO-UHFFFAOYSA-N 271.408 3.639 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)/C=C/c1cccnc1 491986086 ZTRAHJABAQKHPI-ZHACJKMWSA-N 292.382 3.700 30 20 CHED CN(C)Cc1cccc(C(=O)/C=C\c2ccsc2)c1 821022143 PCZZTMFSDLPUPY-SREVYHEPSA-N 271.385 3.706 30 20 CHED C#C[C@H](C)N(C)C(=S)Nc1cc(Cl)cc(Cl)c1 491813540 AWQBYLIMVOUWQG-QMMMGPOBSA-N 287.215 3.644 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2ccc(OCC)cc2)C1 665123592 JQERLNUHLIQMMP-AWEZNQCLSA-N 288.391 3.905 30 20 CHED C=CCC1(N[C@@H]2CCC[C@@H](C3CC3)C2)CCOCC1 668551965 BDVUYBVFRZVBER-HZPDHXFCSA-N 263.425 3.670 30 20 CHED C=C(C)CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F 581195782 OTWJCKAPXQGKMV-GFCCVEGCSA-N 288.269 3.754 30 20 CHED C#CCN(Cc1ccccc1)C(=S)Nc1ccccc1F 491071936 OSJCUBSDQWKBIA-UHFFFAOYSA-N 298.386 3.658 30 20 CHED C[C@H](CCC#N)CN1C[C@H](C)CN(C)c2ccccc21 589821097 TXAPOBLCQREXJM-HUUCEWRRSA-N 271.408 3.519 30 20 CHED CC(C)c1ccc(CNC(=O)CCCCCC#N)cc1 588153417 OCCZERDPCKDNOS-UHFFFAOYSA-N 272.392 3.900 30 20 CHED C#CCN(C(=S)Nc1ccc(C(C)C)cc1)C1CC1 491306079 LOAQVUMHAZKNBD-UHFFFAOYSA-N 272.417 3.604 30 20 CHED C=CC[S@@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 905207930 WUEXDIZEOJZEOH-QGZVFWFLSA-N 282.714 3.794 30 20 CHED CC1(C(=O)N(O)Cc2ccc(F)cc2)CCCCCC1 901372159 SNMOKQLWCRHYCI-UHFFFAOYSA-N 279.355 3.904 30 20 CHED O=C1/C(=C\c2sccc2Cl)Cc2cc(O)ccc21 588601125 IYFKIMGBTUUGKL-CLFYSBASSA-N 276.744 3.930 30 20 CHED C=CC[C@H](CC)N[C@@H]1CCC[C@@H](CCCC(=O)O)C1 902261718 BEWCQQMHFBRRAA-SOUVJXGZSA-N 267.413 3.744 30 20 CHED CCCOc1ccc(C(=O)/C=C\c2nc(C)c(C)[nH]2)cc1 901437692 JZAFRVPTYFYZHP-KTKRTIGZSA-N 284.359 3.711 30 20 CHED N#CC1(c2nc(-c3cccc4ncccc34)no2)CCCC1 585731413 GOQLUZSAPUUSBO-UHFFFAOYSA-N 290.326 3.620 30 20 CHED Fc1cc(F)c(NN=C[C@@H]2CC=CCC2)cc1F 734302884 TZFQWZLNOQOCGW-SECBINFHSA-N 254.255 3.858 30 20 CHED CC(=NNc1ccc(Cl)nn1)c1ccc(F)cc1Cl 730540176 FSSUTXOQPJJVQU-UHFFFAOYSA-N 299.136 3.759 30 20 CHED N#CC1(CCCCOc2ccc(N3CCC3=O)cc2)CCC1 902768207 MMXHNVNNBQQIGV-UHFFFAOYSA-N 298.386 3.666 30 20 CHED CCCCCCCCCC(=O)Nc1ccnc2ccnn12 731168954 NBTLDGAYAVBVBK-UHFFFAOYSA-N 288.395 3.809 30 20 CHED C[C@H](NC(=O)Cc1ccccc1CC#N)[C@@H]1CCC[C@@H](C)C1 837155581 MHLSTYDLGTYTDX-HLLBOEOZSA-N 298.430 3.626 30 20 CHED C=CC(C)(C)C(=O)OCc1ncc(-c2ccccc2C)o1 837863698 GMVKMCMETRJOPI-UHFFFAOYSA-N 285.343 3.905 30 20 CHED O=C(/C=C\c1cccc(F)c1F)c1csc(C(=O)O)c1 730730437 ZLSYIZKAEYCKPR-PLNGDYQASA-N 294.278 3.621 30 20 CHED C=C[C@@H](CC)Cc1nc([C@@H](OCC)c2ccccc2)no1 904064847 WPFDCWUOWXUBHC-BBRMVZONSA-N 286.375 3.950 30 20 CHED Cc1cc(N[C@H](C)CCCC(F)(F)F)cc(C#N)n1 580443572 YDJLVKLUMFEHNV-SECBINFHSA-N 271.286 3.795 30 20 CHED CSc1ccc([C@@H](C)NC(=O)C#CC(C)(C)C)cc1 837599426 KFTSQBNNHVEDIC-GFCCVEGCSA-N 275.417 3.635 30 20 CHED CC(C)=CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 730092620 MXUFCSRRPHCXHR-LLVKDONJSA-N 283.158 3.640 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(Cl)cc2F)C1 839042605 FRUFNFSGFNJPPX-KOLCDFICSA-N 281.714 3.718 30 20 CHED N#CC1(CCOC(=O)c2ccc3n[nH]cc3c2)CCCCC1 839951340 TWIJAVGZCGXHPS-UHFFFAOYSA-N 297.358 3.584 30 20 CHED CC(C)[C@H]1N(C(=O)c2ccsc2C#N)CC12CCCC2 909436937 COTLXQRQHDLGLD-CQSZACIVSA-N 288.416 3.661 30 20 CHED N#CC1(CCCCOC(=O)[C@H]2CCc3cccnc32)CCC1 909397721 VJQBNJIUAMYTKI-HNNXBMFYSA-N 298.386 3.519 30 20 CHED CCCCC(COC)=NNc1cccc(C(F)(F)F)n1 739420851 AUCLUPFHDIMOMV-UHFFFAOYSA-N 289.301 3.705 30 20 CHED C=C[C@@H](C)NC(=O)NCCCCc1ccc(Cl)s1 671207846 NLHHGPGSAWSKGP-SNVBAGLBSA-N 286.828 3.598 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(OC(F)F)cc1 835092716 ZTMIEAGBTKPYNC-UHFFFAOYSA-N 270.275 3.543 30 20 CHED CC[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cccc(C#N)c1 902820278 QHTVJXHBAWAXQA-XMTFNYHQSA-N 298.430 3.803 30 20 CHED CCCCCCCCC(=O)N1CCC[C@H]([C@@H]2CCNC2)C1 831742244 YDAIRWLWWVFAEC-SJORKVTESA-N 294.483 3.585 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C(F)(F)F)s1 671826020 MQZAXZPLSBOZJL-QMMMGPOBSA-N 277.311 3.851 30 20 CHED COc1ccc(Cl)cc1C=NNc1ncccc1Cl 917546599 RIMOSISHGOUOEN-UHFFFAOYSA-N 296.157 3.843 30 20 CHED CCCCCCCC(=O)Nc1ccc(CNC(=O)O)cc1 736983099 GXEDTXLTORKLGV-UHFFFAOYSA-N 292.379 3.753 30 20 CHED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCCCC(C)C)nc12 838812120 FYPMISNYNHZTIR-ZDUSSCGKSA-N 298.390 3.659 30 20 CHED C=C(CC)CNC(=O)c1oc2ccccc2c1CSC 590885713 XXXNDCDWTJMOOR-UHFFFAOYSA-N 289.400 3.992 30 20 CHED COc1ccc(C(C)=NNc2ccc(C#N)cc2)c(F)c1 915962859 QXKNLMBEJQBYMY-UHFFFAOYSA-N 283.306 3.542 30 20 CHED Brc1cccc(NN=C2CC[C@@H]2C2CCC2)n1 835023159 BFNLNKVXYFYNQR-SNVBAGLBSA-N 294.196 3.822 30 20 CHED CC#CCOC(=O)CCc1ccc(-c2ccccc2F)o1 744520710 KHLQAQFDTBNHCD-UHFFFAOYSA-N 286.302 3.585 30 20 CHED C[C@@H](C#N)N(Cc1nc(-c2ccccc2)cs1)C1CC1 595710513 SCQCPNLUJZIURM-LBPRGKRZSA-N 283.400 3.687 30 20 CHED CCc1cnccc1[C@H](C)N[C@@H](C#N)c1ccccc1 595428021 YQYYRSNQTJQFFS-GUYCJALGSA-N 265.360 3.559 30 20 CHED CC(C)[C@@H]1C[C@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 590919143 FJXQIRZWAOVCHZ-JOYOIKCWSA-N 297.185 3.639 30 20 CHED CC[C@H](C)[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)OC 590779079 DELBKAGNCZZNBM-KKXDTOCCSA-N 286.419 3.586 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(F)c(CC)c1 672112074 QXAOLIBRHQHWOM-MRXNPFEDSA-N 279.355 3.555 30 20 CHED CC[C@@H](Cc1ccc(Br)cc1)NC[C@@H](C)C#N 597082264 IATLOUDKZPALIG-FZMZJTMJSA-N 295.224 3.519 30 20 CHED C=CCOc1ccccc1CNC(=O)c1ccc(C)c(F)c1 599813327 PXSKWUSLCVOLAT-UHFFFAOYSA-N 299.345 3.629 30 20 CHED C#C[C@H](OC(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccccc1 842363429 ISJPOZRIPAJNQA-JSGCOSHPSA-N 297.181 3.878 30 20 CHED N#Cc1cc(OCCC2CCOCC2)ccc1C(F)(F)F 842051352 ICFOKANCXANKHX-UHFFFAOYSA-N 299.292 3.773 30 20 CHED C=CCCOC(=O)CCc1ccc(Br)cc1 748914855 DOBGLLCFLQEONG-UHFFFAOYSA-N 283.165 3.501 30 20 CHED CCOc1cccc([C@@H](C)/N=C/c2cccc(OC)c2O)c1 745013032 SFFPAVCAIRBDCZ-KZKLBEMASA-N 299.370 3.980 30 20 CHED C=C[C@@H]1OCCC[C@H]1/N=C/c1c(O)ccc2ccccc12 840708728 IWCRPCQEKHYJIA-YMTWKCNESA-N 281.355 3.698 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](C(=O)O)c1ccccc1 840995857 HUZYPPCBIZHNTM-GOEBONIOSA-N 275.392 3.927 30 20 CHED Cc1c(NN=C2CCC[C@@H]2CCF)cccc1C(=O)O 844622215 ACTUQVQWXGEDDC-LLVKDONJSA-N 278.327 3.621 30 20 CHED Cc1csc(NC(=O)NC2(C(F)F)CCCC2)c1C#N 594103477 YTHQWYZYRDEKSE-UHFFFAOYSA-N 299.346 3.628 30 20 CHED Cc1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)ccc1C#N 595789282 QIWTUFUKPDCLBG-RBUKOAKNSA-N 298.430 3.648 30 20 CHED CC(C)Oc1ccccc1C=NOCCC(F)(F)F 740872463 OCFONISEZVDWGR-UHFFFAOYSA-N 275.270 3.777 30 20 CHED C[C@@]1(Cc2cccc(F)c2)CCCN1CC1(C#N)CC1 592138573 YIAHYELEVMKQLC-INIZCTEOSA-N 272.367 3.526 30 20 CHED C#C[C@@H](NC(=O)[C@@H](c1ccccc1)C1CC1)c1ccccc1 843644687 XLAYDZVLNDIBLM-MOPGFXCFSA-N 289.378 3.671 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(C2CC2)no1 595296728 HWWKWMFRIBEHMC-UHFFFAOYSA-N 295.386 3.834 30 20 CHED Clc1cccc(C#CCn2cnc3ccccc32)c1 683620114 IOWVASVERRXMRF-UHFFFAOYSA-N 266.731 3.741 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cc(Cl)ccc1SC 844521074 QIMZPTBGKGBYIY-MRVPVSSYSA-N 286.784 3.690 30 20 CHED C=C1CCN(C(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 595460279 XKMOSKUXTLQKOD-BRWVUGGUSA-N 293.451 3.642 30 20 CHED C=CCCCC(=O)Nc1cnn([C@@H](C)c2ccccc2)c1 843664781 PXBPDDNILNPTIP-AWEZNQCLSA-N 283.375 3.787 30 20 CHED CCCCCCCC(=O)N1CCC[C@@H](OC2CCC2)C1 848300922 DJSCMUHHILEWAF-MRXNPFEDSA-N 281.440 3.907 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)s1 849243062 FLYWKQPGMCBGSI-ALCCZGGFSA-N 286.400 3.813 30 20 CHED N#Cc1c(NC(=O)C=C2CCCC2)sc2c1CCC2 917553107 SDUDXOFYEBZEMP-UHFFFAOYSA-N 272.373 3.547 30 20 CHED C/C(=C\c1ccccc1)CN1CCC[C@@H](CC#N)C1 597173352 JFAJXSVRNNQQOP-VMEIHUARSA-N 254.377 3.716 30 20 CHED C#CCC(C)(C)C(=O)Nc1ccc(F)cc1SC 843725455 RFAWEMIILHMFFF-UHFFFAOYSA-N 265.353 3.536 30 20 CHED CCc1nc(C)c(NC(=O)CC2(C#N)CCCCC2)s1 597535009 SBYPQPVEAIMOPI-UHFFFAOYSA-N 291.420 3.817 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccc(C#N)s1)C2=O 748997963 MMBXBOKOVJZRLA-YRNVUSSQSA-N 281.336 3.587 30 20 CHED C=CCCOCc1nc(-c2ccc3ccccc3c2)no1 685404621 MPIRMNFVXTWVRZ-UHFFFAOYSA-N 280.327 3.983 30 20 CHED CCCCNN=Cc1csc(-c2ccsc2)n1 920374220 SXEFCQHBJDJRMV-UHFFFAOYSA-N 265.407 3.595 30 20 CHED C#CCCCC(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 758034100 GYJNYZMKRZBBKW-OAHLLOKOSA-N 299.418 3.511 30 20 CHED Cc1cc(CNc2ccc(CC#N)cc2)cnc1Cl 759138860 DPEJIRWPOWQOHN-UHFFFAOYSA-N 271.751 3.722 30 20 CHED Cc1cscc1C(=O)O[C@H](C)CC(C)(C)C#N 851208870 FZCNFLPPRUQMCP-SNVBAGLBSA-N 251.351 3.542 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(N)cc1C 758091943 DVYKSGLCVWFOOG-UHFFFAOYSA-N 257.312 3.552 30 20 CHED C#C[C@@H](CC)NC(=O)N[C@@H](CC1CCC1)c1ccccc1 753265369 RODTWNBRYGXUPU-IRXDYDNUSA-N 284.403 3.629 30 20 CHED CCCC[C@@H](C(=O)[C@H](C#N)c1ccccn1)C(C)C 857010379 LYCBRGLLBJRXRB-ZIAGYGMSSA-N 258.365 3.720 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cnc[nH]1 853331863 IXGSLCIVGRIMPW-UHFFFAOYSA-N 256.353 3.543 30 20 CHED C=CCOc1ccccc1C(=O)O[C@H](C)CC(C)(C)C#N 851212961 XMFYSBUSQXADHA-CYBMUJFWSA-N 287.359 3.737 30 20 CHED C=CCC(F)(F)C(=O)Nc1nc2ccccc2n1C(C)C 855855585 AHGOHCVXBUZVFD-UHFFFAOYSA-N 293.317 3.767 30 20 CHED CSc1ccc(/C=C/C(=O)N[C@H](C#N)CC(C)C)s1 859095167 NDTITQVMYJCHML-MALLOTDXSA-N 294.445 3.538 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(OCC(=O)OCC)cc1 757911369 AIUFFNWNYSPRAE-UONOGXRCSA-N 291.391 3.641 30 20 CHED C=C(Cl)CNC(=O)/C=C(\C)c1cccc(Cl)c1 750000518 DWQSGPGSTWGVKZ-RMKNXTFCSA-N 270.159 3.612 30 20 CHED CC[C@H](C#N)OC(=O)Cc1coc2ccc3ccccc3c12 753421703 JGRCQLFKPUUSED-CQSZACIVSA-N 293.322 3.974 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)O[C@H](C)CC(C)(C)C#N 851205974 LJPLQDHWZRJOIE-XQQFMLRXSA-N 251.370 3.684 30 20 CHED C=C[C@](C)(CCOC)COC(=O)c1ccsc1Cl 853118296 JONTVRYXVLTPPX-CYBMUJFWSA-N 288.796 3.787 30 20 CHED CCCCCCCC(=O)Oc1cccc(OC(=O)NC)c1 851278159 LNJFJWILNMGXTL-UHFFFAOYSA-N 293.363 3.671 30 20 CHED C/C(=C/C(C)(C)C)C(=O)O[C@@H](C)CC(C)(C)C#N 851205740 JKHLRDPITHBAAK-KGTBHZDVSA-N 251.370 3.850 30 20 CHED CC(C)(C)OC(=O)CCNN=C1CCC(=C2CCC2)CC1 853332866 SNVNCIFRHRYBSJ-UHFFFAOYSA-N 292.423 3.718 30 20 CHED C#Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCCO3)c1 850472920 QZCUFOLTYDZALM-OAHLLOKOSA-N 291.394 3.844 30 20 CHED CC(=NNCc1ccc(C#N)cc1)c1cc(C)sc1C 769822319 YOIOOYPTKYDCCB-UHFFFAOYSA-N 283.400 3.750 30 20 CHED Cc1cncc(C(=O)/C=C/c2cc(Cl)cc3c2OCC3)c1 767365788 BBQYMOCVHSBFLW-NSCUHMNNSA-N 299.757 3.874 30 20 CHED C#CCCOc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 766743628 AUXUFSAPCJVDLL-ZDUSSCGKSA-N 289.375 3.674 30 20 CHED FC(F)(F)CON=Cc1cnc(-c2cccs2)s1 764847302 YYCFEXYCWZOPCY-UHFFFAOYSA-N 292.307 3.784 30 20 CHED C[C@@H](CCC1CC1)NCc1ccc(O[C@@H](C)C#N)cc1 768952143 KXSQYEDJOKRNPB-KBPBESRZSA-N 272.392 3.646 30 20 CHED C=C1CCN(C(=O)Nc2ccccc2CSC)CC1 930831171 KATXJUYAIVUULI-UHFFFAOYSA-N 276.405 3.734 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](c2ccccc2)C1 935787059 JJGGFKIKQJABFZ-FVQBIDKESA-N 257.377 3.651 30 20 CHED Clc1ccnc(NN=CC2Cc3ccccc3C2)c1 766453676 CKSHOWREGJUFAS-UHFFFAOYSA-N 271.751 3.548 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cccc(-c2c(F)cccc2F)c1 767258757 GHXQZLKZPPJYII-GFCCVEGCSA-N 299.320 3.726 30 20 CHED CCC[C@H](C(=O)OCc1ccc(C#N)cc1)C(C)C 763857618 RWSHJTMNVUELDU-HNNXBMFYSA-N 259.349 3.674 30 20 CHED CCCCCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 764393867 KDZCKALWARMFEP-UHFFFAOYSA-N 277.290 3.728 30 20 CHED N#C[C@@H](Sc1nnc(-c2ccccc2)s1)C1CC1 865355588 LHMGYLZCHOAUTM-LLVKDONJSA-N 273.386 3.599 30 20 CHED C#CCOc1cccc(-c2noc(-c3oc(C)cc3C)n2)c1 761783522 VKSVFUQCOVLMED-UHFFFAOYSA-N 294.310 3.625 30 20 CHED C[C@@H](C#N)CN(C)Cc1ccccc1-c1ccccc1 768876039 BXFSLSUOTOPUCM-HNNXBMFYSA-N 264.372 3.945 30 20 CHED FC(F)C1CC(=NNc2nccc3sccc23)C1 766016277 GQMHCTCABIEPBN-UHFFFAOYSA-N 267.304 3.739 30 20 CHED Cc1cc(OC(=O)CCO[C@@H](C)CC(C)C)ccc1C#N 765091183 DXBXVKQBCAAHQT-AWEZNQCLSA-N 289.375 3.613 30 20 CHED Cc1ccc(C)c2c1CCCC2=NOCc1cccnc1 769799169 JCTLJYNKEQBDAH-UHFFFAOYSA-N 280.371 3.956 30 20 CHED C=CCCCc1nnc(-c2cc3ccccc3o2)o1 1118357438 ULSVBWNLJNTETD-UHFFFAOYSA-N 254.289 3.992 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(N(C)C)cc1C 878241227 RQHRXZPFVQUIBV-UHFFFAOYSA-N 260.381 3.602 30 20 CHED CCCCCCCOC(=O)Cc1ccccc1CC#N 777160399 CHONSDQRDMDWOE-UHFFFAOYSA-N 273.376 3.809 30 20 CHED CCCCCCCCN1CCC[C@H](c2nccn2C)C1 770025053 CPWVYPMWYOESTD-INIZCTEOSA-N 277.456 3.960 30 20 CHED CC[C@@H](N[C@@H](C)CCSC)c1ccc(C#N)cc1 774204256 YDLJOACNQLDVCD-SWLSCSKDSA-N 262.422 3.741 30 20 CHED C[C@@H](C(=O)OCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 775862545 GGVWVXMNLYOPHP-SECBINFHSA-N 298.169 3.944 30 20 CHED C=CC[C@H](C(=O)OCC(=O)CC(C)C)c1ccccc1 778428534 SLOARWAMAFBZGQ-INIZCTEOSA-N 274.360 3.505 30 20 CHED C#CCCCCCC(=O)N[C@@](C)(C#N)CCc1ccccc1 779986963 QQOUXOGHBYEFIM-LJQANCHMSA-N 296.414 3.601 30 20 CHED C#C[C@@H](C)N(C)Cc1cc(Br)c(Cl)s1 775182563 CZMHISXDHLNRNK-SSDOTTSWSA-N 292.629 3.618 30 20 CHED N#C[C@@H](C(=O)CCCC(F)(F)F)c1nc2ccccc2o1 771262347 WJCCFKLNJQIWFQ-VIFPVBQESA-N 296.248 3.737 30 20 CHED CCNc1ccc(C#N)cc1NC/C(Cl)=C/Cl 776850767 XRISPTGYBMGFKJ-POHAHGRESA-N 270.163 3.721 30 20 CHED CC[C@@H](C(=O)OCc1cccc(C#N)c1F)c1ccccc1 774883435 NNFIOCTZSHCNGY-MRXNPFEDSA-N 297.329 3.934 30 20 CHED Cn1ccc(/C=C\C(=O)c2cccc(Cl)c2Cl)n1 773153307 JQDLWSDJHKLDDL-WAYWQWQTSA-N 281.142 3.623 30 20 CHED Cc1cccc2c1CCC2=NNc1ccc2[nH]ncc2c1 779815523 BIMCWUKYCCUMSU-UHFFFAOYSA-N 276.343 3.634 30 20 CHED CCCCCCCCNC(=O)c1coc(C2CC2)n1 776877295 IAWQUAUMFBNWKF-UHFFFAOYSA-N 264.369 3.642 30 20 CHED Cc1cccc(OC(=O)c2cccc(C#N)c2)c1Cl 774652786 GEAQWGSGVFARJX-UHFFFAOYSA-N 271.703 3.739 30 20 CHED CCC(=NNc1ncccc1C)c1cccc(OC)c1OC 872368853 ROSHPIQARQRSQS-UHFFFAOYSA-N 299.374 3.633 30 20 CHED Cc1n[nH]c(C)c1C=NNc1ccc(C(C)(C)C)cc1 779825587 ZNKNXTIEPDCDIL-UHFFFAOYSA-N 270.380 3.770 30 20 CHED Cc1onc(-c2ccccc2)c1C(=O)OCCC(C)(C)C#N 776353750 GOCFWJPMOJCFSX-UHFFFAOYSA-N 298.342 3.747 30 20 CHED Cc1ccc(C)c(C=NNc2nccnc2C(C)C)c1 773085403 ICHDNBMVHHRTDJ-UHFFFAOYSA-N 268.364 3.663 30 20 CHED CC(=NNc1ccc2[nH]ncc2c1)c1ccc(C)c(C)c1O 779821362 YQTUAKYJUDZMIL-UHFFFAOYSA-N 294.358 3.721 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccc(N(C)C)cc1 776193428 YLLHOGUHSQSSLK-JXMROGBWSA-N 280.371 3.606 30 20 CHED Cc1ccc(O)c(C(=O)/C=C\c2nc3c(s2)CCCC3)c1 776266218 PWTKYUAYYZLWRL-HJWRWDBZSA-N 299.395 3.932 30 20 CHED C[C@@H](CN(C)C(=O)c1cc(C#N)ccc1F)c1ccccc1 1125764616 PWRLYBOXLVYWRA-ZDUSSCGKSA-N 296.345 3.573 30 20 CHED C[C@@H](C#N)COC(=O)c1sccc1-c1ccc(F)cc1 770932072 KNJCAEURNSUDKT-JTQLQIEISA-N 289.331 3.871 30 20 CHED CC(=NNc1cc([N+](=O)[O-])ccc1C)C1CCSCC1 777433388 CESROEACZNDRAO-UHFFFAOYSA-N 293.392 3.834 30 20 CHED C=C1CCC(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)CC1 888632477 RKGIEFKIASAOOE-QGZVFWFLSA-N 299.414 3.758 30 20 CHED C[C@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 1126637776 OFUCPKOVQWTYIJ-ZFZWDLNGSA-N 283.371 3.989 30 20 CHED C#CCC1(C(=O)Nc2sc(CC)nc2C)CCCCC1 788464524 NHJUMDYWKBIYCP-UHFFFAOYSA-N 290.432 3.926 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(-c2cn[nH]c2)cc1 1124075469 NVAJIMRQTOKBMA-KRWDZBQOSA-N 295.386 3.648 30 20 CHED Fc1cc(Cl)ccc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 783522671 XJQMQPKGOMLZEW-BHDSKKPTSA-N 266.747 3.591 30 20 CHED N#Cc1ccc(F)c(C(=O)NCC2CCCCCCC2)c1 1125301775 XBGHYTYZUKTBEL-UHFFFAOYSA-N 288.366 3.788 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H](F)c1ccccc1 784753439 HGLUGEFQQGRAPR-ZDUSSCGKSA-N 263.312 3.570 30 20 CHED N#Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1Cl 25911692 HOZYUXBSWTYVPZ-JTQLQIEISA-N 260.724 3.506 30 20 CHED CCOCCON=C(C)c1ccc(OC(C)C)c(Cl)c1 789051441 RDBJWYQTXGZLLE-UHFFFAOYSA-N 299.798 3.904 30 20 CHED C=CCCCCCOC(=O)c1cccc(F)c1C#N 784832707 VXYZKAQAWKDFGB-UHFFFAOYSA-N 261.296 3.601 30 20 CHED C#CC[C@H](NC(=O)NCC(C)(C)C(C)C)c1ccccc1 782598321 GAKCJQZRYCOUCY-INIZCTEOSA-N 286.419 3.732 30 20 CHED CCC/C(C)=C/C(=O)N(CCC#N)C(C)(C)CC 787942183 PKRIADIVJCJJOJ-OUKQBFOZSA-N 250.386 3.664 30 20 CHED CCOCOc1ccc(CNc2cccc(C#N)c2)cc1 783378918 RJTABHSWSSAIEC-UHFFFAOYSA-N 282.343 3.543 30 20 CHED COc1ccc(C=NNC2CCCCC2)c(Cl)c1 786042057 IMEBVHNRHPUMMR-UHFFFAOYSA-N 266.772 3.605 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H](CC)CC1 784154754 GBLZKWFMSCRGLE-JOCQHMNTSA-N 289.341 3.617 30 20 CHED CC(C)=CCC/C(C)=C\C=NOC[C@@H]1CCOC1 788036763 MSKPHGIVGSMTLM-OBGWCKOXSA-N 251.370 3.718 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1cc(F)ccc1F 785097770 XEOCAPBWBYYNOC-VIFPVBQESA-N 267.275 3.509 30 20 CHED CCc1ccc(C(=O)/C=C/c2c(C)noc2CC)o1 899361894 FKDRMTGBJNUFOS-BQYQJAHWSA-N 259.305 3.597 30 20 CHED CCCCCCCC(=O)N1CC(C)(C)OC(C)(C)C1 785617211 TZUYBIAAVGEMSW-UHFFFAOYSA-N 269.429 3.763 30 20 CHED C[C@@H]1/C(=C\c2cnn(C3CCC3)c2)C(=O)c2ccccc21 899372379 CQASFYCSMFYKAZ-UWONZBIMSA-N 278.355 3.992 30 20 CHED C#CCC1(C(=O)N(C)c2cccc(C#C)c2)CCCCC1 788210785 ZJZAPSLHHLTDLC-UHFFFAOYSA-N 279.383 3.605 30 20 CHED CC(=NOC[C@H]1CCOC1)c1sc(C(C)(C)C)nc1C 788035820 BQWVRCPANIOKJI-LBPRGKRZSA-N 296.436 3.526 30 20 CHED C=CCCCC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 780269806 VBZXJKWANQRFBE-GHMZBOCLSA-N 263.303 3.532 30 20 CHED CC1CCC(OCC(=O)O[C@@H](C#N)C2CCCCC2)CC1 795948859 AHSOVZNRHSLDLP-BCLQGDPASA-N 293.407 3.597 30 20 CHED COc1ccc2c(c1OC)O/C(=C/c1ccc(C)cc1)C2=O 799500679 CVEDTMWEPXAFJF-XNTDXEJSSA-N 296.322 3.628 30 20 CHED C=CCCCCCCNC(=O)c1oc(C(C)C)nc1C 794511280 RVTDSPSMLWORJZ-UHFFFAOYSA-N 278.396 3.973 30 20 CHED CCc1ccc(CCC=NNc2cccc(F)n2)cc1 795008654 NPVUMFKXHFLDMD-UHFFFAOYSA-N 271.339 3.814 30 20 CHED CCc1cccc(C)c1NN=CC1(OC)CCCC1 799493626 JPTPAAGVUFMLMD-UHFFFAOYSA-N 260.381 3.914 30 20 CHED C#CCOc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1CC 793857225 GPIQBMSCIXCFBC-LSDHHAIUSA-N 285.387 3.854 30 20 CHED CCCCCCCCCN1CCC(NC(=O)C(C)C)CC1 792205548 RIWOIVHRIRQLEK-UHFFFAOYSA-N 296.499 3.974 30 20 CHED CC(=NNc1cccc(F)n1)c1ccc2ccccc2c1O 795009888 NSKRVWOKGSNVFV-UHFFFAOYSA-N 295.317 3.916 30 20 CHED Cc1ccnc(COC(=O)c2ccc(C(C)(C)C#N)cc2)c1 796040332 WWOBZZBIZQVZFV-UHFFFAOYSA-N 294.354 3.548 30 20 CHED CC[C@H](C)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 790182962 HYJCVVVTJASOGJ-NSHDSACASA-N 287.319 3.577 30 20 CHED CCc1ccccc1NC(=O)C1(C#N)CCCCC1 44385475 ROXXNPNSUZNNGM-UHFFFAOYSA-N 256.349 3.662 30 20 CHED C=CCC(C)(C)C(=O)Oc1ccc(OC(C)C)cc1 796902507 CFDIDGLVRGJUTN-UHFFFAOYSA-N 262.349 3.982 30 20 CHED Cc1cccnc1NN=C1CCC[C@@H]1c1ccccn1 794940074 PZWGJVNJGYNHEF-CYBMUJFWSA-N 266.348 3.521 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2ccnn2-c2ccccc2)cc1 798372219 JHBNKDNFIOPGMU-KHPPLWFESA-N 299.333 3.640 30 20 CHED N#Cc1ccc(COC(=O)Cc2coc3ccccc23)cc1 796999661 SHFZDZOBDNJOLX-UHFFFAOYSA-N 291.306 3.590 30 20 CHED CC[C@H](C#N)OC(=O)c1csc2cc(C)ccc12 796358706 BSLYJSIUBGCVGX-SNVBAGLBSA-N 259.330 3.669 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1ccccc1C(F)(F)F 796854251 CJTCEZGPZZQGOB-CYBMUJFWSA-N 285.265 3.688 30 20 CHED CCCCC(C)=NNc1cccc(F)c1[N+](=O)[O-] 790310776 PGBABWSLHLIFSR-UHFFFAOYSA-N 253.277 3.712 30 20 CHED CC(C)CC[C@H]1CCC[C@H]1NCc1cc(C#N)ccn1 1169368185 VIWDDHBJDCODHB-NVXWUHKLSA-N 271.408 3.648 30 20 CHED C#Cc1ccc(C(=O)Nc2c(C)cc(Cl)cc2C)cn1 1319567032 WGDCWSFDBXLSCK-UHFFFAOYSA-N 284.746 3.585 30 20 CHED Cc1ccc2[nH]cc(C=NNCc3ccc(F)cc3)c2c1 1319181369 YUTHERCYHLHKFJ-UHFFFAOYSA-N 281.334 3.739 30 20 CHED CCN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)C#N 91982930 DIKMQLYUSSFBQC-JTQLQIEISA-N 271.191 3.975 30 20 CHED N#Cc1cccc(C#N)c1Nc1ccc(N2CCCC2)cc1 1174526141 HYMUNYGGBHNKCH-UHFFFAOYSA-N 288.354 3.774 30 20 CHED C=C[C@@H](C)NC(=O)N1CCC(Cc2ccc(C)cc2)CC1 1325186740 ATKNJEKJNCSVJN-OAHLLOKOSA-N 286.419 3.534 30 20 CHED CC(C)c1nccnc1NN=CCCc1ccc(F)cc1 1321325952 OJEYSPSBRZHFEB-UHFFFAOYSA-N 286.354 3.770 30 20 CHED Cc1cc(C)c(C#N)c(N[C@H](C)c2cnn(C(C)C)c2)n1 1328076485 SEORGTQHNINJCR-CYBMUJFWSA-N 283.379 3.521 30 20 CHED COc1ccc(C[C@@H](C)C=NOC(C)(C)C)cc1F 1325377583 NUNWWWHJUDXJRW-LLVKDONJSA-N 267.344 3.814 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2CCCC(C)(C)C2)c1 755857781 XQDPHUQNRQBCQG-OAHLLOKOSA-N 269.388 3.847 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1 596690200 UCUPGCQTISGHPP-SNVBAGLBSA-N 295.745 3.637 30 20 CHED CC[C@](C)(C#N)C(=O)NCc1cc(Cl)cc(Cl)c1 597855492 RRTLPGZVIJHZFD-CYBMUJFWSA-N 285.174 3.549 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 1324326388 WPTAFQDXQCNTKX-AWEZNQCLSA-N 289.423 3.560 30 20 CHED C=C(C)CCC(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1338995393 HBUMJHCDZIDQSJ-VKJFTORMSA-N 291.435 3.539 30 20 CHED COCCc1ccccc1N[C@H](C)CC(C)(C)C#N 695815060 JWVRNPMOLYWTBL-CYBMUJFWSA-N 260.381 3.616 30 20 CHED CCC(C#N)(CC)C(=O)NCc1cc(Cl)ccc1C 1339019409 QHAORINLAHEUNR-UHFFFAOYSA-N 278.783 3.595 30 20 CHED C[C@@H](OC(=O)c1ccsc1C(F)F)C(C)(C)C#N 1342937546 XOGUNCOJMNHFQK-SSDOTTSWSA-N 273.304 3.781 30 20 CHED O=[N+]([O-])c1cccc(NN=CCCc2ccc(F)cc2)c1 1344746341 VXSCMDJPVWDNBB-UHFFFAOYSA-N 287.294 3.764 30 20 CHED C=C(C)Cn1c(N2CCCC[C@@H](C)C2)nnc1C(C)(F)F 1341708972 QCEMWYJFEQYXAJ-GFCCVEGCSA-N 298.381 3.592 30 20 CHED N#Cc1cnc(NCC[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 1472678443 UYXGKVIFXANZAA-WCFLWFBJSA-N 275.783 3.845 30 20 CHED C[C@@H]1[C@@H](NC(=O)[C@H](CC#N)c2ccccc2)CCC[C@H]1C 1525767057 SVIMHVJTZILFPS-WTTBNOFXSA-N 284.403 3.625 30 20 CHED Cc1cc(Cl)cc(C#N)c1OCc1ccccc1C#N 1459141236 RRIOWDYOAZKGCI-UHFFFAOYSA-N 282.730 3.971 30 20 CHED COCCc1ccc(Oc2ccncc2C#N)c(Cl)c1 1458511121 BGYDRUIHLJOLSP-UHFFFAOYSA-N 288.734 3.588 30 20 CHED Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)cc1C#N 1525558225 VEYXMTGWSGPPOB-SNPRPXQTSA-N 284.403 3.811 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1 1461859911 XSQFGQVQKLUEHC-ZYHUDNBSSA-N 275.348 3.831 30 20 CHED Cc1cccc2c1[C@H](C)/C(=C\c1ccc(C(=O)O)o1)C2=O 1600552054 AJMKADRLWDPRGY-SEEODLKFSA-N 282.295 3.670 30 20 CHED O=C(/C=C\c1ccc(C(=O)O)o1)c1ccc(Cl)c(F)c1 1608284092 IHTMUPUNRRGLMK-DJWKRKHSSA-N 294.665 3.666 30 20 CHED Cc1ccc(C#N)cc1C(=O)Nc1ccc(F)c(Cl)c1 1530703517 KADQXUNBQQRDLL-UHFFFAOYSA-N 288.709 3.912 30 20 CHED Cc1ccccc1SCc1cccc(C(=O)O)c1C#N 1600587722 KWTDFRHBVGEMOA-UHFFFAOYSA-N 283.352 3.857 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 1536303301 AXLZPDMEZHKVOZ-AAEUAGOBSA-N 290.794 3.768 30 20 CHED CC(C)c1cccc(N(C)C(=O)Nc2ccc(C#N)cn2)c1 1476932451 PDWDQVBMPPOANQ-UHFFFAOYSA-N 294.358 3.745 30 20 CHED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)c2)C[C@H](c2ccccc2)C1 1472804951 SGBLKXNEYHJSFJ-LESCRADOSA-N 291.398 3.759 30 20 CHED CCC(CC)(CC)NC(=O)Nc1sccc1C#N 1476829192 SVJIJAJNJKLYDO-UHFFFAOYSA-N 265.382 3.710 30 20 CHED CC(C)C[C@@H](N=c1cc[nH]c(C#N)c1)c1ccccc1 1559054458 RSVPZOHZLHRYFX-QGZVFWFLSA-N 265.360 3.574 30 20 CHED C[C@H]1CCC[C@H](CNC(=O)Nc2cc(C#N)ccc2F)C1 1562915353 IMWZHGUCKJYIFD-AAEUAGOBSA-N 289.354 3.645 30 20 CHED CC(C)(C)[C@@H]1CSCCN1Cc1ccc(F)c(C#N)c1 1644305045 GQBPIYCDJVPJEC-HNNXBMFYSA-N 292.423 3.661 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(C)c(C)c1C(=O)O 1573351372 SKPAUTMDAPMIKZ-UHFFFAOYSA-N 287.359 3.709 30 20 CHED COc1ccc(C#N)cc1CSc1ncc(C)cc1C 1656729357 XTXOFPVFWOEJNO-UHFFFAOYSA-N 284.384 3.871 30 20 CHED Cc1cc(C#N)cc(NC(=O)[C@@]2(C)CCc3ccccc32)c1 1583760683 VZLWFJFCODAPJU-IBGZPJMESA-N 290.366 3.709 30 20 CHED Cc1ccnc(CSc2ccc(C#N)c(C)c2)c1 1652058944 ZLFVQAGCDFBKTG-UHFFFAOYSA-N 254.358 3.862 30 20 CHED Cc1nc(C#N)cc(N2C[C@@H](C(C)C)c3ccccc32)n1 1651030040 SBGHBFZXKSREQC-HNNXBMFYSA-N 278.359 3.548 30 20 CHED C=CCN(Cc1cccc(C(=O)O)c1)c1ccccc1 1588463896 APXSYRBDOKJYSS-UHFFFAOYSA-N 267.328 3.577 30 20 CHED CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](C(=O)O)[C@@H]1C 1595704980 MIKZCLIPYJPQBM-SOUVJXGZSA-N 297.439 3.695 30 20 CHED N#Cc1ccccc1SCc1cccc(C(=O)O)c1 1594632268 UFIDUCDGLDKQEA-UHFFFAOYSA-N 269.325 3.549 30 20 CHED CCc1cccc(N(C)C(=O)Nc2cc(F)cc(C#N)c2)c1 1674218415 IXDDTEIUXIARHZ-UHFFFAOYSA-N 297.333 3.928 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1ccc([C@@H](C)CC)cc1 1776148276 BXJGNEOCACPIGH-BBRMVZONSA-N 275.392 3.709 30 20 CHED C#Cc1cccc(NC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)c1 162001991 GGWIESMKFADOLT-QAQJPARQSA-N 297.373 3.915 30 20 CHED COc1cc(C#N)ccc1OCc1ccc(C#N)cc1Cl 162965648 IRSVLCONGSEYMU-UHFFFAOYSA-N 298.729 3.671 30 20 CHED CC1(CC(=O)Nc2sccc2C#N)CCCCC1 163481381 OFMRZPQLUFOCJS-UHFFFAOYSA-N 262.378 3.919 30 20 CHED C=CCC[C@H](NC(=O)[C@@H](CC)SC)c1ccccc1 151323473 IFFNKQLYPHBJLS-LSDHHAIUSA-N 277.433 3.952 30 20 CHED C=CCC[C@@H](NC(=O)C[C@H](C)SC)c1ccccc1 152557677 IKIZFLHJFBPJLN-DZGCQCFKSA-N 277.433 3.952 30 20 CHED C=C[C@@H](C)NC(=O)N[C@H](CCC)c1ccc(F)cc1F 155129579 KNMSPULVAYKYKP-QMTHXVAHSA-N 282.334 3.680 30 20 CHED C#CCCCCNC(=O)Cc1coc2c(C)c(C)ccc12 156208287 DOVJROKGQGSHPN-UHFFFAOYSA-N 283.371 3.512 30 20 CHED COc1ccccc1NCc1cccc(OCCCC#N)c1 155345655 IONMWWMMTHGXTG-UHFFFAOYSA-N 296.370 3.990 30 20 CHED C#CCCCCNC(=O)CCCc1ccc(Cl)cc1 155865104 JXFGXRSABNFWBZ-UHFFFAOYSA-N 277.795 3.582 30 20 CHED C=C[C@H](C)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F 154216188 ULEZCZNPGZENPQ-QWRGUYRKSA-N 285.309 3.890 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc(-n2cccn2)c1 156723097 ZKVGYCITBAELDO-UHFFFAOYSA-N 297.402 3.691 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(OCCC)cc1 222290191 GJRUOANJDGXKPP-HNNXBMFYSA-N 259.393 3.930 30 20 CHED CCC(C)(C)C(=O)Nc1ccc(Cl)c(C#N)c1 102602453 NDWNGYOQHLLSOR-UHFFFAOYSA-N 250.729 3.586 30 20 CHED CS[C@H]1CCC[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 231777935 NOOVZXWWDDIVBH-RYUDHWBXSA-N 291.376 3.553 30 20 CHED C=CCCN[C@H](C)c1ccc(F)cc1Br 235186309 CBUPYBXCHVQNSQ-SECBINFHSA-N 272.161 3.815 30 20 CHED CCOc1cc(C#N)ccc1OCc1ccc(Cl)cn1 155003971 BGRUCZXCJZYSPV-UHFFFAOYSA-N 288.734 3.584 30 20 CHED N#Cc1cc(NCc2ccccc2Cl)ccc1[N+](=O)[O-] 157496031 DROUQHOCTHVCRE-UHFFFAOYSA-N 287.706 3.732 30 20 CHED C[C@@H](CCc1ccco1)Nc1ccc(OCC#N)cc1 35451562 ABMLDIFBOPFNCR-ZDUSSCGKSA-N 270.332 3.615 30 20 CHED COCCCCCNc1ccc(C(F)(F)F)c(C#N)c1 166144971 YYVTXNBRXLBOCF-UHFFFAOYSA-N 286.297 3.806 30 20 CHED Cc1ccc(CNc2cccc(F)c2C#N)cc1F 48391446 IOMSIYIFCVIVDN-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=CCSCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 180459412 QQZCPSWHSDIHQW-AWEZNQCLSA-N 280.393 3.555 30 20 CHED C[C@@H](CC(=O)N(C)c1ccc(C#N)cc1)CC(C)(C)C 61955026 CZEXJAHNIMFHMP-ZDUSSCGKSA-N 272.392 3.983 30 20 CHED N#Cc1ccc(Cl)cc1OCCOc1ccccc1 62790164 HGDCDZBUQKGCQX-UHFFFAOYSA-N 273.719 3.669 30 20 CHED CC1(C)[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21 301449383 KVOVSPSHDYAFBQ-STQMWFEESA-N 280.293 3.669 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)s1 309506174 BZAHBMZNMBKTHN-LPEHRKFASA-N 254.786 3.744 30 20 CHED Cc1cc(F)ccc1CNc1cc(F)cc(C#N)c1 600856876 RXPWLSGAHILFHS-UHFFFAOYSA-N 258.271 3.757 30 20 CHED C=CCCOCCNc1cc(C)c2ccccc2n1 311624121 MUQGBNZCEFMFHT-UHFFFAOYSA-N 256.349 3.548 30 20 CHED CCC1(CNc2cc(Cl)ccc2C#N)CCOCC1 311811673 MAFRBFPCLAAOMU-UHFFFAOYSA-N 278.783 3.830 30 20 CHED Cc1nc(N2CCC3(CCCCC3)CC2)ccc1C#N 312381235 BTYVONHUXBZKJJ-UHFFFAOYSA-N 269.392 3.812 30 20 CHED C=CC[C@@H](CC)Nc1nc(C)cc(C(F)(F)F)n1 440640452 SOJOJRUQHXYNJT-SECBINFHSA-N 259.275 3.570 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccc(O)cc1 470642438 AXHSRRSBBNYFSD-UHFFFAOYSA-N 295.382 3.540 30 20 CHED CNc1cccc(C(=O)Nc2ccc(C#N)cc2Cl)c1 712142315 CTPHOCOGSQZDCF-UHFFFAOYSA-N 285.734 3.506 30 20 CHED C=C(C)CN(CC)Cc1c(C(=O)O)sc2ccccc12 382534077 NDJKGHCJKHDRAR-UHFFFAOYSA-N 289.400 3.998 30 20 CHED N#Cc1cc(NC(=O)[C@@H]2CC23CCCCC3)ccc1F 531656790 MDVRIMIPMJAIBG-ZDUSSCGKSA-N 272.323 3.606 30 20 CHED CCN(CC)c1ccc(/C=C/C(=O)c2cccnc2)cc1 5603500 YVFBKRKBRUUIHF-FMIVXFBMSA-N 280.371 3.824 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(C#N)cc2)cc(C)c1O 16406049 LXNIUIJJSWRZQB-VMPITWQZSA-N 277.323 3.777 30 20 CHED Cc1occc1-c1nc2cc3c(cc2c(C)c1C#N)OCO3 24513288 CGVZUSSOAWCUNF-UHFFFAOYSA-N 292.294 3.712 30 20 CHED Cc1ccc(OCCNc2nc(C)cc(C)c2C#N)c(C)c1 26760669 YMVAGASOCMYGDI-UHFFFAOYSA-N 295.386 3.678 30 20 CHED CN(CCOc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 29810315 YTQGLCSSUZUXQV-LJQANCHMSA-N 292.382 3.556 30 20 CHED C=CCOc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1 32424718 CFEBAYIOYWKPFR-UHFFFAOYSA-N 289.281 3.782 30 20 CHED N#Cc1cccc(CNc2ccccc2N2CCCC2)c1 35046130 JXRDQEYYUNSGII-UHFFFAOYSA-N 277.371 3.771 30 20 CHED CCCCC1CCC(C(=O)N[C@@](C)(C#N)CC)CC1 40357587 PIJJIYJEUSFMIH-ZBCRRDGASA-N 264.413 3.791 30 20 CHED CCN(C(=O)c1ccsc1)[C@@H](C)c1ccc(C#N)cc1 45500081 QKZCSWMJEMNWFG-LBPRGKRZSA-N 284.384 3.843 30 20 CHED Cc1cc2ncn(CCOc3ccc(C#N)cc3)c2cc1C 49890029 SNSMVHOSKQMVIA-UHFFFAOYSA-N 291.354 3.604 30 20 CHED N#CCCN(Cc1ccccc1C(F)(F)F)C1CC1 52045913 GYDMDQZXJGPNFT-UHFFFAOYSA-N 268.282 3.583 30 20 CHED C[C@@H](c1ccco1)N(C(=O)c1cccc(CC#N)c1)C1CC1 56186363 CSBXLSSDRCGPCG-ZDUSSCGKSA-N 294.354 3.711 30 20 CHED O=C(/C=C/c1cccc(OC(F)F)c1)c1cccc(O)c1 57789020 NHCYKYUXYCALLW-BQYQJAHWSA-N 290.265 3.890 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(F)ccc1F 60780896 PHVIDGADHFLWHU-UHFFFAOYSA-N 293.338 3.855 30 20 CHED N#Cc1ccc(NCc2ccccc2F)c(Cl)c1 62790790 UXJDZIWKMDHWGI-UHFFFAOYSA-N 260.699 3.963 30 20 CHED N#Cc1ccccc1OCCOc1ccc(F)c(Cl)c1 70168685 HSYAICZHZOWFKC-UHFFFAOYSA-N 291.709 3.809 30 20 CHED CCc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 71940059 GWDWPXIFMSYAKM-UHFFFAOYSA-N 296.395 3.851 30 20 CHED O=C(NCC#Cc1ccccc1)Nc1cccc(Cl)c1 73437629 CEXFGVIZQHVBNV-UHFFFAOYSA-N 284.746 3.513 30 20 CHED N#C[C@@H](C(=O)CCc1cccs1)c1nc2ccccc2o1 73977288 BGWAUWUCMOGCDA-LBPRGKRZSA-N 296.351 3.698 30 20 CHED N#Cc1ccc(NCC2(CCO)CCCC2)cc1Cl 75064107 XJHLREDZWFEIGR-UHFFFAOYSA-N 278.783 3.566 30 20 CHED CC(C)=CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 76153835 VPNUVAIZFARBKV-DLBZAZTESA-N 254.377 3.724 30 20 CHED N#Cc1cccc(CNc2ccccc2OCC2CC2)c1 77466290 JLBXMPLEHZVFPJ-UHFFFAOYSA-N 278.355 3.959 30 20 CHED C=CCn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 78788635 CEFFTPGHGHPYDI-UHFFFAOYSA-N 268.147 3.746 30 20 CHED N#Cc1ccc(N2CCC(F)CC2)c(C(F)(F)F)c1 79031496 IDXYRSZSGFELKX-UHFFFAOYSA-N 272.245 3.515 30 20 CHED N#CCSc1cccc(C(=O)Nc2cccc(F)c2)c1 79380335 RWNBCCOBYIWYER-UHFFFAOYSA-N 286.331 3.694 30 20 CHED C[C@@H](C#N)CN(C)C(=O)N[C@@H](c1ccccc1)C1CCCC1 80073590 GJTPYJDPTAEONK-YOEHRIQHSA-N 299.418 3.719 30 20 CHED Cc1cccc2[nH]cc(CC(=O)Nc3ccccc3C#N)c12 82338380 JOCCBIIOYOKPDK-UHFFFAOYSA-N 289.338 3.529 30 20 CHED CCC(CC)S(=O)(=O)/N=C(\O)C(C)(C)CC(C)C 84694980 BBEDHEZJRWPANL-UHFFFAOYSA-N 277.430 3.534 30 20 CHED Cc1cccc(C2=CCN(CCCCC#N)CC2)c1 92821761 MISDSDHSBMDIGD-UHFFFAOYSA-N 254.377 3.778 30 20 CHED Cc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 93872218 YKONFSFUFNIDLN-ROUUACIJSA-N 280.371 3.860 30 20 CHED C=CC1CCN(C(=O)N[C@H](C)CCCCC)CC1 111442190 XMZICUOHMOONDK-CYBMUJFWSA-N 252.402 3.563 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)c1cccc(C)c1C 115859836 HSHVKDXOEZKSEF-OAHLLOKOSA-N 272.392 3.748 30 20 CHED COc1cc(C)c(/C=C/C(=O)c2occc2C)cc1OC 119036710 REPMGUSMOYQPII-AATRIKPKSA-N 286.327 3.810 30 20 CHED C#CCCCCC(=O)N1CC[C@H](C)c2ccccc21 119633600 NHCDOINTAJWZAE-AWEZNQCLSA-N 255.361 3.720 30 20 CHED N#Cc1ccc(NCCC(F)(F)F)c(Br)c1 119707056 XRNWRCJFXUPOSS-UHFFFAOYSA-N 293.086 3.685 30 20 CHED C#CCCCCC(=O)Nc1ccc(F)cc1OC(F)F 120217194 DSXJJDSTAAIBEA-UHFFFAOYSA-N 285.265 3.559 30 20 CHED Cc1cccc([C@H](C)C(=O)N[C@H](C#N)c2ccccc2F)c1 121017421 ULSWZAOSGDABIV-SUMWQHHRSA-N 296.345 3.619 30 20 CHED N#Cc1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1F 121251242 HXMLXGYUSSFDJD-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=CCCCN1CCCCC[C@@H]1C[C@H](O)c1ccco1 121872832 GGJWMARDBJCZED-CVEARBPZSA-N 277.408 3.914 30 20 CHED CC[C@H]1CCCC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F 123839414 UMUAANUGOKMZEE-SMDDNHRTSA-N 292.329 3.535 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)cc1)CC2 125411363 GLMRMIISIGPBAC-PTNGSMBKSA-N 264.324 3.913 30 20 CHED COc1ccc(C#N)cc1CN(C)[C@H](C)c1cccs1 130430474 GJGHUMBFTQLXSI-GFCCVEGCSA-N 286.400 3.821 30 20 CHED CCOc1ccccc1CN(C)Cc1ccc(C#N)s1 130437670 UVTFKGGQOZFUFV-UHFFFAOYSA-N 286.400 3.650 30 20 CHED N#Cc1cccc(CNCc2cnc(C3CCC3)s2)c1 130491629 ZORAORZTTFJGMS-UHFFFAOYSA-N 283.400 3.572 30 20 CHED C#CCCCCN[C@H](CC)c1ccc(F)cc1F 130815353 QFIBQCVIWDTAJL-OAHLLOKOSA-N 251.320 3.809 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc(C#N)cc1 131063811 UBELYVBQJNMOIO-VQHVLOKHSA-N 265.287 3.902 30 20 CHED C[C@@H](OC(=O)CCn1ccc2ccccc21)C(C)(C)C#N 131234262 UMDKXLRRCYGYKT-CYBMUJFWSA-N 284.359 3.513 30 20 CHED C=C(C)COCCNCc1csc(-c2cccs2)n1 134505285 GPIWYNMJVFUBRJ-UHFFFAOYSA-N 294.445 3.554 30 20 CHED CN(Cc1ccccc1C(C)(C)C#N)CC1CCC1 135217347 HKQJCWNUYMFYGO-UHFFFAOYSA-N 256.393 3.720 30 20 CHED CC(C)(C#N)CCCOc1ccc(-n2cccn2)cc1 135505796 NHVSUCBQPQFNLE-UHFFFAOYSA-N 269.348 3.581 30 20 CHED N#Cc1ccc(CN[C@@H]2CCOC3(CCCCC3)C2)s1 136736161 KFAIFDCIADUYSF-CYBMUJFWSA-N 290.432 3.591 30 20 CHED CCc1nc(C)c([C@@H](C)NCc2cccc(C#N)c2)s1 151369439 KQZNBPGQZYLWMT-LLVKDONJSA-N 285.416 3.736 30 20 CHED CCN(C(=O)c1cc(C)ccc1F)c1ccc(C#N)cc1 152265219 DDSNMSMZIZGBJQ-UHFFFAOYSA-N 282.318 3.673 30 20 CHED N#CCC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 153525571 ARFYGCLCPNYYMQ-SFHVURJKSA-N 292.382 3.780 30 20 CHED CSc1cc(C)ccc1CNCc1cc(C#N)cs1 153557825 MSWPPOUIVVNNGQ-UHFFFAOYSA-N 288.441 3.940 30 20 CHED CCCCCCCCCCNC(=O)NC1CCOCC1 153699395 PFXSTVOOTWWRNM-UHFFFAOYSA-N 284.444 3.605 30 20 CHED C=CCN(C)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 154782304 WPUTVEQWOMHUTG-OAHLLOKOSA-N 295.810 3.516 30 20 CHED CC(C)n1cccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 155879608 PHQSQICRHXPAFZ-CYBMUJFWSA-N 282.343 3.859 30 20 CHED C=C(C)CNC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 160939411 JOQYNVMIAAOHPA-SNVBAGLBSA-N 286.202 3.864 30 20 CHED CN(CCc1cccs1)Cc1ccc(C#N)cc1Cl 162921524 XWYIBRHFPWLKKQ-UHFFFAOYSA-N 290.819 3.948 30 20 CHED Cc1ccc(C)n1-c1ccc(C(=O)NCCCCC#N)cc1 171509343 MWPHJMKJEJRLDP-UHFFFAOYSA-N 295.386 3.518 30 20 CHED N#C[C@@H](NC(=O)C1CCCCCC1)c1ccccc1Cl 172026767 KWBNAEUSFQDMIK-OAHLLOKOSA-N 290.794 3.991 30 20 CHED C[C@@H](OC(=O)c1ccccc1F)c1ccc(C#N)cc1 175752343 HAQDDGHJYSMJPF-LLVKDONJSA-N 269.275 3.615 30 20 CHED C[C@@H](OC(=O)c1ccc(Cl)cn1)c1ccc(C#N)cc1 175795348 UOPMORLTVMUICK-SNVBAGLBSA-N 286.718 3.525 30 20 CHED CCS[C@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 176982861 QJHFVNXCLZYHOJ-RYUDHWBXSA-N 280.462 3.774 30 20 CHED CCn1nc(C)c(/C=C2\CCCC(C)(C)C2=O)c1C 177021794 XPUNBJMPCUYQLR-JLHYYAGUSA-N 260.381 3.682 30 20 CHED CCOc1cccc([C@H](C)NCc2ccc(C#N)cc2F)c1 177858462 ANTPNVTZOAJUFL-ZDUSSCGKSA-N 298.361 3.947 30 20 CHED C=C(C)CSCC(=O)N(c1ccccc1)C(C)C 177872560 QYMWDGUPKVWQJD-UHFFFAOYSA-N 263.406 3.737 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCC1)[C@H](C)C1CCCCC1 178005627 LJAKVCQFRPWQEB-KBPBESRZSA-N 276.424 3.791 30 20 CHED C=CCOc1ccccc1C(=O)N1C[C@H]2CCCC[C@H]2C1 178333654 FTQWSDQCFVWMFC-GASCZTMLSA-N 285.387 3.514 30 20 CHED C=CCSCCNC(=O)Nc1ccc(OCCC)cc1 179440953 XMCQFPWCUZFNKN-UHFFFAOYSA-N 294.420 3.516 30 20 CHED C=CCSCCN[C@@H](C)c1cccc(OC(F)F)c1 180456939 HBZHFEXBQNHANN-NSHDSACASA-N 287.375 3.858 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)C1(C)CC1 181097267 JVPFHKPPDNUIHA-QWHCGFSZSA-N 252.402 3.561 30 20 CHED N#CCC[C@H](N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 181577901 YLWAZXGNPJKKFJ-SIXLDLHFSA-N 254.377 3.810 30 20 CHED CCOc1ccccc1CSc1nnc(C)c(C)c1C#N 182717077 JBABTBQZXSVFFD-UHFFFAOYSA-N 299.399 3.656 30 20 CHED C=CCOc1ccccc1CN[C@H](C)c1ccccc1O 183507230 HJVNOORZUZBEID-CQSZACIVSA-N 283.371 3.808 30 20 CHED CCOc1ccc(O)c(/C=N/CCC[C@@H]2CCCCO2)c1 184307240 IWWIRWLZBUSOOT-VUODPORTSA-N 291.391 3.559 30 20 CHED CC[C@H](CN(CC)C[C@H](C#N)CCC#N)c1ccccc1 186609475 OISUOEGPFUHSFZ-DLBZAZTESA-N 283.419 3.946 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCC(C)(C)O1 186791493 NPUNCQBUWBNIIE-KRWDZBQOSA-N 284.403 3.504 30 20 CHED Cc1coc2ccc(NC(=O)Cc3ccc(C#N)cc3)cc12 187294998 ZKEBIHCENUMKPG-UHFFFAOYSA-N 290.322 3.794 30 20 CHED Cc1ccc(-c2nnc(S[C@@H](C)CCC#N)o2)cc1 188250677 FVHZOERAFYCWMD-NSHDSACASA-N 273.361 3.829 30 20 CHED N#Cc1ccc(SCCCN2CCCC2)c(Cl)c1 188323979 CQRITUYNGHTGDB-UHFFFAOYSA-N 280.824 3.790 30 20 CHED C=CC1CCN(C(=O)Nc2cccc3ccn(C)c23)CC1 190025121 VOPLRUINGLBEDE-UHFFFAOYSA-N 283.375 3.608 30 20 CHED C=CCC1(C(=O)Nc2nccc3sccc23)CCC1 190174679 TXARGJBOTMAENX-UHFFFAOYSA-N 272.373 3.981 30 20 CHED C=CCC1(C(=O)Nc2cccc3ccn(C)c23)CCC1 190881728 OKRRGQHNPQLHAC-UHFFFAOYSA-N 268.360 3.863 30 20 CHED N#CCCCSCc1nnc(-c2ccccc2)s1 191017352 WZMUNGLICKGWNY-UHFFFAOYSA-N 275.402 3.742 30 20 CHED C#CCCCC(=O)Nc1nc2ccccc2n1C1CCCC1 192345581 NKGHOMCQQDOLQM-UHFFFAOYSA-N 295.386 3.893 30 20 CHED N#Cc1ccccc1OCc1nnc(-c2ccccc2)s1 193517099 SETBUEVRRHOMNT-UHFFFAOYSA-N 293.351 3.656 30 20 CHED Cc1c(NCc2ccc(C#N)s2)cnn1C1CCCC1 195455611 XQPOENCCHKRPFG-UHFFFAOYSA-N 286.404 3.852 30 20 CHED N#Cc1cccc(CNc2cc(F)c(F)c(F)c2)c1F 223730505 FEHUTRYDDRKEEQ-UHFFFAOYSA-N 280.224 3.727 30 20 CHED CC(C)OCCCCNc1c(C#N)cnc2ccccc12 228562992 DRHHGPBDGAQKFM-UHFFFAOYSA-N 283.375 3.724 30 20 CHED CC1(CNc2ccc(C#N)cc2Br)CC1 230344656 FMSIKMJAQBEURJ-UHFFFAOYSA-N 265.154 3.533 30 20 CHED Cc1ccc(C[C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 248830185 MKMUXPWZKOTWGJ-LZLYRXPVSA-N 270.420 3.906 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H](C[C@H]2CCOC2)c2ccccc2)C1 248866073 QCIFFVAGJZSAMZ-ZAWLATJESA-N 298.430 3.826 30 20 CHED CC[C@@H](CN(CC)C[C@@H](C#N)CCC#N)c1ccccc1 249450481 OISUOEGPFUHSFZ-SJORKVTESA-N 283.419 3.946 30 20 CHED N#C[C@H](C(=O)/C=C\c1ccc2ccccc2n1)c1ccccn1 254952069 VKDNGKVPMCYLHO-SNGWPZLWSA-N 299.333 3.519 30 20 CHED O=C(/C=C\c1ccn(-c2ccccc2)n1)c1ccc(F)cc1 255329039 BHHJGCHKVNRQNB-KHPPLWFESA-N 292.313 3.908 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccc(O)c(F)c2)c1 255905232 ZNNGLWAAYUOBLT-ALCCZGGFSA-N 286.302 3.574 30 20 CHED N#Cc1nc(N2CC[C@@H](c3ccccc3)C2)ccc1Cl 264540942 QWCWJLJCPXHNLQ-CYBMUJFWSA-N 283.762 3.601 30 20 CHED C=CCCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 265490859 VXWXWWAUJCCBMX-UHFFFAOYSA-N 293.357 3.826 30 20 CHED C[C@H](C(=O)N(C)[C@H](C)CC#N)c1ccc(Cl)c(Cl)c1 266945118 QPIOEZASJYZKCX-ZJUUUORDSA-N 299.201 3.857 30 20 CHED Clc1cccc(C#CCSC2=NCCS2)c1 269415700 HEQOJHRUENLNIG-UHFFFAOYSA-N 267.806 3.528 30 20 CHED CC(C)Oc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 274222183 QENWCLULMYRSHR-HOCLYGCPSA-N 272.392 3.646 30 20 CHED C[C@@H]1CSc2ccccc2N(C(=O)CC(C)(C)C#N)C1 278295535 DCKVBGFXSWZNBM-LBPRGKRZSA-N 288.416 3.701 30 20 CHED C=CCC[C@H](Nc1cn(C)nc1CC)c1ccco1 286337705 YQJNDIGQKVTQME-ZDUSSCGKSA-N 259.353 3.695 30 20 CHED C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(OCC#N)cc1 287493387 YASHPUNGMVRQRP-HZMBPMFUSA-N 298.308 3.580 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1c(C)ccnc1C 287623339 UHFMBTYBUURWSI-UHFFFAOYSA-N 299.374 3.554 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(OCC)c(OC)c1 292453581 OBSRNYPGHNXJTG-UHFFFAOYSA-N 277.364 3.635 30 20 CHED C=C(C)CCN[C@H](c1nc(C)cs1)C(F)(F)F 295303981 FLLREQUCIBEEOS-SECBINFHSA-N 264.316 3.611 30 20 CHED N#C[C@@H]1CC[C@H](SCc2c(F)cccc2F)C1 295340097 MYMQKNCTRYDPJD-ZJUUUORDSA-N 253.317 3.890 30 20 CHED C=CCC[C@H](C(=O)NCCC(C)(F)F)c1ccccc1 295597590 OUYSYKCRZHCAPY-AWEZNQCLSA-N 281.346 3.898 30 20 CHED C[C@@H]1CCC[C@@H](N(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 298695917 SYPDFHIEPUQJRO-CKEIUWERSA-N 299.418 3.839 30 20 CHED CCN(C(=O)Cc1ccc(C#N)cc1)c1ccc(C)cc1C 299534835 MQIPLHMKGKCYCV-UHFFFAOYSA-N 292.382 3.771 30 20 CHED N#Cc1ccc(NCC2(c3ccc(Cl)cc3)CC2)nc1 301138450 AVHSFUXBACHULM-UHFFFAOYSA-N 283.762 3.750 30 20 CHED N#Cc1cccnc1N[C@@H]1C[C@H]1c1cccc(Cl)c1 301362718 PMEHUZXIUNXVEA-UONOGXRCSA-N 269.735 3.575 30 20 CHED CC1CCN(c2cccc(Nc3cccc(C#N)n3)c2)CC1 301859564 SQGYRHYTAOAVCR-UHFFFAOYSA-N 292.386 3.933 30 20 CHED CC[C@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 307961134 LDJIBQXHLWGMFC-HNNXBMFYSA-N 282.318 3.830 30 20 CHED CC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N 316578165 MUOYXOOLOJXOGF-OAHLLOKOSA-N 295.342 3.900 30 20 CHED CCC(CC)n1ccc(COc2cc(C#N)cc(OC)c2)n1 319378721 ZQVZTQRBMSICCL-UHFFFAOYSA-N 299.374 3.703 30 20 CHED COCc1ccc(NC2CC(C#N)(c3ccccc3)C2)cc1 319779478 ZCIJHFNOPGAOLI-UHFFFAOYSA-N 292.382 3.869 30 20 CHED CCn1cc(N=C(O)c2coc(C3CCCCC3)n2)cn1 328747483 PCDFZYZRHUYCCY-UHFFFAOYSA-N 288.351 3.575 30 20 CHED C[C@@H]1C[C@H](/N=C(/O)CCc2ccc3[nH]ccc3c2)CCO1 329216916 PHAXMCRHFXSPCQ-IUODEOHRSA-N 286.375 3.625 30 20 CHED Cc1ccc2c(c1)[C@@H](/N=C(/O)c1ocnc1C)CCC2 329427342 GHSLGDNUUYZHFR-AWEZNQCLSA-N 270.332 3.674 30 20 CHED Cc1ncc(/C(O)=N/[C@H](C)c2nc(C(C)(C)C)cs2)[nH]1 330464179 UTSGAQMUKKEYAH-MRVPVSSYSA-N 292.408 3.538 30 20 CHED Cc1nc2c(cnn2C(C)C)cc1/C(O)=N/CC(C)(C)C 330576882 PGYCNMXSOSSORP-UHFFFAOYSA-N 288.395 3.671 30 20 CHED CCc1noc(C)c1/C(O)=N/[C@@H]1CCC[C@@H](CC)C1 330803262 FHSCNFMVXXZXQP-VXGBXAGGSA-N 264.369 3.819 30 20 CHED CCCC1CCC(/N=C(/O)c2csc(O)n2)CC1 330955997 BWMSBKOBFMAMOL-UHFFFAOYSA-N 268.382 3.512 30 20 CHED C=C1CCN([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 334336582 SXMKAQGLUQVTEF-AWEZNQCLSA-N 283.375 3.758 30 20 CHED CN(C(=O)c1cc(C#N)ccc1Cl)c1ccc(F)cc1 334355610 KVYNHMIQHGNZAZ-UHFFFAOYSA-N 288.709 3.627 30 20 CHED N#Cc1cccc(CN[C@@H]2CCc3c(F)ccc(F)c32)c1 335742542 ICUDRPVVWKKSPP-MRXNPFEDSA-N 284.309 3.614 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cc(F)ccc1C 335757311 DFAUOOUYCSTITE-CYBMUJFWSA-N 262.328 3.707 30 20 CHED Cc1ccc(NC(=O)c2cc(C#N)oc2C)c(Cl)c1 336154872 YZNFSSYVCFKWTR-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1cccc(C#N)c1C 338114274 JKBQFMCQDFYPAP-UHFFFAOYSA-N 297.402 3.659 30 20 CHED CCC[C@H](C(=O)N[C@H](C#N)C1CCCCC1)c1ccccn1 339225326 HJHFZFSZLLYVFO-DOTOQJQBSA-N 299.418 3.554 30 20 CHED C=C[C@@H](CC(=O)Nc1cncc(C)c1)c1ccccc1 340307742 AHRZKUAYIOISQN-AWEZNQCLSA-N 266.344 3.688 30 20 CHED CCc1ccc(CN(C)C(=O)c2ccc(F)c(C#N)c2)cc1 340719599 DNCDDWMMEUMUTQ-UHFFFAOYSA-N 296.345 3.532 30 20 CHED C=CCC[C@@H](NCC#N)c1ccc(C(F)(F)F)cc1 342211843 VKNCDSOZLZXXEX-CYBMUJFWSA-N 268.282 3.826 30 20 CHED N#CC1(CN(Cc2ccoc2)C2CCCCC2)CC1 343314869 OUEFBRDTQSCTOC-UHFFFAOYSA-N 258.365 3.718 30 20 CHED CCCN(CC1(C#N)CC1)[C@@H]1CCc2ccccc21 343324840 YBIUZIZPQZGYND-MRXNPFEDSA-N 254.377 3.690 30 20 CHED C[C@@H](N[C@H](C)c1nc2c(s1)CCC2)c1cccc(C#N)c1 345306987 RKDHAGUMEGOZHE-VXGBXAGGSA-N 297.427 3.915 30 20 CHED N#Cc1cccnc1N1CCCC2(CCCCC2)C1 347174116 BVBFNNLMQLXWMA-UHFFFAOYSA-N 255.365 3.504 30 20 CHED C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CC1)c1ccsc1 347589398 PUWMHDZYFIOVSH-GFCCVEGCSA-N 296.395 3.529 30 20 CHED CC(C)CCSCC(=O)N(CCC#N)CCC(C)C 349358777 NRZKZUVRCIYNCM-UHFFFAOYSA-N 284.469 3.554 30 20 CHED COC1(c2noc(-c3ccc(CC#N)cc3)n2)CCCCC1 351143563 LRHNNYUQNSGHRU-UHFFFAOYSA-N 297.358 3.608 30 20 CHED CCC1(CC)CCCN(C(=O)[C@@](C)(C#N)CC)CC1 355166788 NOBRBFNWQRPLLY-OAHLLOKOSA-N 264.413 3.745 30 20 CHED N#Cc1ccc(SCc2nc3ccccc3[nH]2)c(F)c1 358056306 NOEWLZZNTFAZSY-UHFFFAOYSA-N 283.331 3.866 30 20 CHED C=C(CC)CN(Cc1nc(O)c2ccccc2n1)C(C)C 358610221 FSODNWGLNALEQK-UHFFFAOYSA-N 285.391 3.512 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(C2CC2)c(C)c1 360841092 QMILZNHQIHCVOA-CYBMUJFWSA-N 271.364 3.686 30 20 CHED CC(C)(C#N)c1ccc(C(=O)NC23CCC(CC2)C3)cc1 369091291 ALHMGSFBYDTTNU-UHFFFAOYSA-N 282.387 3.550 30 20 CHED C=CCC[C@H](N[C@H]1CCN2CCC[C@@H]2C1)c1ccco1 375887853 JVUXOKPXNRVBIG-XHSDSOJGSA-N 274.408 3.503 30 20 CHED N#Cc1ccc(-c2nc(CC3CCCCC3)no2)s1 393631449 FEEXYDGILXGLHY-UHFFFAOYSA-N 273.361 3.793 30 20 CHED CC(C)[C@@H]1CCCCN1Cc1cc(F)ccc1C#N 395773087 IGEFHZFHEUTNAB-INIZCTEOSA-N 260.356 3.708 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(C)c(Cl)c1 410148015 OFHMNEBADQMRGS-LBPRGKRZSA-N 251.757 3.733 30 20 CHED COC[C@@H](NCC(C)(C)CC#N)c1cccc(Cl)c1F 414163977 JOYQMDGGICSMRC-CYBMUJFWSA-N 298.789 3.696 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(F)c1C 417500613 AUUKEOAJXMTPPT-LLVKDONJSA-N 280.318 3.846 30 20 CHED N#Cc1cc(F)ccc1N1CCC[C@H](CC(F)(F)F)C1 420619813 FUMNHBXMIVCFTL-SNVBAGLBSA-N 286.272 3.866 30 20 CHED CCc1noc(C)c1COc1c(C)cc(Cl)cc1C#N 421207294 WCGSCZVVPIJXTP-UHFFFAOYSA-N 290.750 3.958 30 20 CHED Cc1c(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)ccc(C#N)c1C#N 421553746 FGDBLANDVZFHSF-YRGRVCCFSA-N 295.386 3.749 30 20 CHED CCCC[C@H](CC)C(=O)N1CCc2c(C#N)cccc21 421653264 XSUZYNKYHREAQQ-ZDUSSCGKSA-N 270.376 3.664 30 20 CHED C=CCC[C@H](NC(=O)C[C@H](C)n1cccn1)c1ccccc1 424730847 FIDPNMJCOULNHL-RDJZCZTQSA-N 297.402 3.658 30 20 CHED C=C[C@@H](C)NC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 425473708 YDNCOHLTLODLQR-HIFRSBDPSA-N 272.392 3.744 30 20 CHED C=CCC[C@H](C(=O)NCc1ccc(O)cc1)c1ccccc1 427761447 OIMFHRSFGAXZPW-SFHVURJKSA-N 295.382 3.758 30 20 CHED C=CCC[C@@H](C(=O)N1CC[C@@H]1C(C)C)c1ccccc1 428015561 FACCEFOKXFHBRL-IAGOWNOFSA-N 271.404 3.993 30 20 CHED C=CCC[C@H](O)CN(C(C)C)[C@@H](C)c1ccccc1 428865173 VLHGWXNFNFAIQK-RDJZCZTQSA-N 261.409 3.785 30 20 CHED CCSCC[C@@H](C)N(C)c1nccc(C#N)c1Cl 429195486 BSNFIHHHESBFOB-SNVBAGLBSA-N 283.828 3.575 30 20 CHED C=CCCCOc1c(Br)cccc1[N+](=O)[O-] 431238485 TWZLSDNYICMHAD-UHFFFAOYSA-N 286.125 3.702 30 20 CHED CC(F)(F)c1ccc(C(=O)NCC#Cc2ccccc2)cc1 431758081 FEDBPPMGRAHRSW-UHFFFAOYSA-N 299.320 3.580 30 20 CHED CCN(CC1(C#N)CC1)c1ccc(Cl)cc1F 440623541 KAGVUSNZMIDAPZ-UHFFFAOYSA-N 252.720 3.609 30 20 CHED Cc1cc(C)n(-c2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2F)n1 442854828 JMRKJIMWAXZTCQ-KGLIPLIRSA-N 298.365 3.732 30 20 CHED COc1cc(C)ccc1NCc1ccc(C#N)c(C)c1 443991523 VLRSQWLVTBTUIX-UHFFFAOYSA-N 266.344 3.796 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CCC[C@]1(CCC)COC 447829403 SMJMGQLZWSGOFD-NVXWUHKLSA-N 296.455 3.722 30 20 CHED C=C1CCN(C(=O)C(CC(C)C)CC(C)C)CC1 448909973 KAJHCCRMNOVXRI-UHFFFAOYSA-N 251.414 3.873 30 20 CHED C=CCCCC[C@H](C)Nc1ccc(C(=O)N(C)C)cc1 449299345 LWICGLCVENVFCK-AWEZNQCLSA-N 274.408 3.935 30 20 CHED C=CCC[C@H](NC(=O)CCCC(=O)C1CC1)c1ccccc1 450179023 BXETZEUUONIJBD-KRWDZBQOSA-N 299.414 3.960 30 20 CHED Cc1c(C#N)c(=NCC(C)(C)CCC#N)[nH]c2ccccc12 450529116 SSJWUAZIEUEJHI-UHFFFAOYSA-N 292.386 3.579 30 20 CHED C=C(CNC(=O)[C@@]1(C)CCC[C@H]1C)c1ccccc1 452001611 GFXLLFTYNBMNCI-PBHICJAKSA-N 257.377 3.642 30 20 CHED CC[C@@H](N[C@H](CC)C(F)F)c1ccc(C#N)cc1 453251372 SYGZZSNFWUJOAR-CHWSQXEVSA-N 252.308 3.643 30 20 CHED C=CC(C)(C)CNC(=O)Nc1ncsc1C(C)C 455436409 UTQTWVRSWASDFI-UHFFFAOYSA-N 267.398 3.600 30 20 CHED COCc1ccccc1/C=C(\C)CNCC(C)(C)CC#N 459731957 NYLVBUHQLAKRSL-RVDMUPIBSA-N 286.419 3.766 30 20 CHED C=CCN(c1nnc([C@@H](C)CC)n1CC(=C)C)C1CC1 460802083 ANOGLTWZASXXDH-ZDUSSCGKSA-N 274.412 3.523 30 20 CHED CCCNc1ccc(C#N)cc1NC(=O)c1cccc(C)c1 461688544 XHKWFGYJTPWZDE-UHFFFAOYSA-N 293.370 3.941 30 20 CHED C[C@@H](c1cccc(C#N)c1)c1nc(-c2ccccc2)no1 461798793 CNMNYPXCOMNJMR-LBPRGKRZSA-N 275.311 3.760 30 20 CHED C=C(C)CN(CC)S(=O)(=O)c1ccccc1C(C)(C)C 462485801 ZNVRNGSCOCAFDN-UHFFFAOYSA-N 295.448 3.571 30 20 CHED C=C[C@](C)(CC)C(=O)NCCCN(CC)c1ccccc1 467736001 SQTLIODEIXRRHQ-GOSISDBHSA-N 288.435 3.622 30 20 CHED CC(C)[C@H](C#N)NC(=O)c1cccc(Nc2ccccc2)c1 468149023 FUORABLUEUSCEB-KRWDZBQOSA-N 293.370 3.708 30 20 CHED Cc1ccc([C@@H]2CCCN2c2ccc(C)c(C#N)n2)s1 468725534 PGBNBPUIGLGNAH-AWEZNQCLSA-N 283.400 3.973 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)C(C)(C)C(F)F)cc1 470788642 OBXNXWWRQGTFQH-UHFFFAOYSA-N 280.318 3.718 30 20 CHED C=CCCCCNC(=O)c1ccc(C(F)(F)F)cc1 471666018 DZEGMOPHTGNMNS-UHFFFAOYSA-N 271.282 3.792 30 20 CHED C=CCCCCNC(=O)[C@@H](C)Cc1ccccc1Cl 471677532 QAWQGQIITPZYMV-ZDUSSCGKSA-N 279.811 3.991 30 20 CHED C=CCN(Cc1csc([N+](=O)[O-])c1)c1ccccc1 472608898 FZKFWFUWHVWRAE-UHFFFAOYSA-N 274.345 3.849 30 20 CHED C=CCCCCNC(=O)NCC1(c2ccc(F)cc2)CC1 472836275 UJCSIIVNXSDBRV-UHFFFAOYSA-N 290.382 3.513 30 20 CHED C=CCCCCNC(=O)NCCc1ccc(Cl)cc1 472860975 UNAMINGHNPFPSG-UHFFFAOYSA-N 280.799 3.538 30 20 CHED C=CCCCCNC(=O)NC(C)(C)c1ccc(F)c(F)c1 474084821 SRWXPPQMSCJOEK-UHFFFAOYSA-N 296.361 3.855 30 20 CHED C=CCCC1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1 476101856 IPUJPWOTLYMMHK-KRWDZBQOSA-N 283.415 3.870 30 20 CHED C=CCC1(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)CCC1 478682367 QDZUYPHQOHXTCW-KKUMJFAQSA-N 261.409 3.675 30 20 CHED CC(C)(C#N)CCSCc1ccc2c(c1)OCO2 478757936 QCAZMFBKAQQDSK-UHFFFAOYSA-N 263.362 3.588 30 20 CHED COC1(CN[C@H](C)c2ccc(C#N)cc2)CCC(C)CC1 479502295 LYJMIQIDTHKDHK-SWKXRBFHSA-N 286.419 3.804 30 20 CHED CCC[C@@H](C)N(C)Cc1ccc(Cl)cc1C#N 480509725 DJFMLGBUFCICDO-LLVKDONJSA-N 250.773 3.832 30 20 CHED COc1ccc(N[C@@H]2CCCCc3cc(C#N)ccc32)cn1 481672836 SWLJVHUJKMBPGN-QGZVFWFLSA-N 293.370 3.841 30 20 CHED CC(C)C[C@@H]1CCCCCN1Cc1cc(C#N)n(C)c1 483265853 GSNZEOYTOXAENH-INIZCTEOSA-N 273.424 3.687 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(C#N)c(C)c1 488124408 JTMVSKYHAYQBIS-AWEZNQCLSA-N 276.449 3.830 30 20 CHED CCSc1cccc(CNc2cccc(C#N)n2)c1 488669333 DYWCKCWJBDCBBQ-UHFFFAOYSA-N 269.373 3.677 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCc2ccccc21 488840307 OITDECIILTUFGG-WBVHZDCISA-N 269.388 3.674 30 20 CHED CCCCC[C@H]1CCCN1C(=O)c1cccc(CC#N)c1 489282886 DWOWPLPMJCUCPD-KRWDZBQOSA-N 284.403 3.938 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](c1cccs1)C1CC1 494210609 ABLKCHOPFFKPLJ-HIFRSBDPSA-N 290.432 3.949 30 20 CHED C=CCN(C)CC/C=C/c1ccc(Br)cc1 494637119 KFOOXIVLGBPISM-GQCTYLIASA-N 280.209 3.970 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 496171380 LLOSVHGMVRVFLK-UHFFFAOYSA-N 294.326 3.545 30 20 CHED CC(C)CCOc1ccc(NC(=O)CC(C)(C)C#N)cc1 499523434 WVOIFYLKSMIODV-UHFFFAOYSA-N 288.391 3.990 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(OC)c1 509196106 MDYASWFBWJVQTI-UHFFFAOYSA-N 267.756 3.889 30 20 CHED C=C(C)CCN(C)Cc1ccccc1N1CCCC1 509799372 NRQDIWQCHDFZLV-UHFFFAOYSA-N 258.409 3.685 30 20 CHED CC[C@H](N=c1cc[nH]c(C#N)c1)c1ccc(Cl)cc1 515081058 QNMBDPPSBPOAJH-HNNXBMFYSA-N 271.751 3.592 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1CCC1 521769896 ZPOYTBFJMMTFMU-UHFFFAOYSA-N 299.418 3.526 30 20 CHED Cc1cccc(CN(C)c2ccc(Cl)c(C#N)n2)c1 521856962 ZFWRHVJLXWJDRB-UHFFFAOYSA-N 271.751 3.552 30 20 CHED CCC[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2)cc1 522961005 NQVHKDYYLTVQFR-OAHLLOKOSA-N 294.354 3.901 30 20 CHED C=C(CC)CNCc1ncc(Cl)cc1Br 527716012 GQZSQYFJPQJFKL-UHFFFAOYSA-N 289.604 3.553 30 20 CHED C=C[C@@H](CC(=O)N(CC1CC1)C(C)C)c1ccccc1 535372545 YBSOAYWRMBYAQE-INIZCTEOSA-N 271.404 3.993 30 20 CHED C=CC[C@@H](CO)CN[C@@H](c1ccccc1F)C1CCCC1 537095066 IZBKUHCDUGKHBT-RDTXWAMCSA-N 291.410 3.831 30 20 CHED COc1ccc(C)c2c1N(CCC(C)(C)C#N)CCC2 537362691 ISIARXYUCKMWID-UHFFFAOYSA-N 272.392 3.696 30 20 CHED N#CCc1ccc(NC(=O)NCCCc2cccs2)cc1 537675244 NXGMLZJFBNADRF-UHFFFAOYSA-N 299.399 3.568 30 20 CHED C=CCC[C@H](N[C@H]1CCO[C@@H](C(C)C)C1)C1CC1 537935109 UPQBCGJETQPMLH-HRCADAONSA-N 251.414 3.524 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccccc1C)C(C)(C)C 538258009 PHYGMJOBQZESPB-DOTOQJQBSA-N 275.436 3.999 30 20 CHED N#CC1(CN[C@H](c2cccc(F)c2)C2CCCC2)CC1 538392465 UBXRPWCDRJKIGG-INIZCTEOSA-N 272.367 3.950 30 20 CHED C=CCCC[C@H](C)NC(=O)C(C)(C)c1ccccc1OC 539437633 YVKNZHZAKDFXHH-AWEZNQCLSA-N 289.419 3.834 30 20 CHED N#Cc1csc(CNc2cccc3cc[nH]c23)c1 548474944 VGVTZIRIPDGANR-UHFFFAOYSA-N 253.330 3.713 30 20 CHED CCCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1NCC 552348984 SQIYEJBLBVNWAA-GFCCVEGCSA-N 273.380 3.755 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCOCc1ccccc1 554642776 JKUBUGYFXCOWFA-QAPCUYQASA-N 289.419 3.700 30 20 CHED CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C#N)c1 554882225 UMHWZJLGFJYQQR-ZWKOTPCHSA-N 290.366 3.863 30 20 CHED C=CCCc1noc(COc2ccccc2C(C)C)n1 560354076 YJUKYSMJPMTYNQ-UHFFFAOYSA-N 272.348 3.891 30 20 CHED COc1cccc2c1CCCN2Cc1cccc(C#N)c1 560569095 RSRNKPVHKAQHCH-UHFFFAOYSA-N 278.355 3.520 30 20 CHED C=CCCCC[C@@H](C)NCc1ccc2c(c1)OCCO2 560924315 HQCJTSVKJROFLE-CQSZACIVSA-N 275.392 3.682 30 20 CHED CCCN(CCc1cccc(F)c1)c1ccnc(C#N)c1 565908664 JKXYCJPRZQSECS-UHFFFAOYSA-N 283.350 3.551 30 20 CHED C[C@H]1CC[C@H](CC(=O)N(CCC#N)c2ccc(F)cc2)C1 569898776 DDWMFDIPZOVWLW-KBPBESRZSA-N 288.366 3.899 30 20 CHED CC[C@H](C)CN(CC)C(=O)Nc1ccc(C#N)c(F)c1 576625636 HCXMHILDBKCGNN-NSHDSACASA-N 277.343 3.597 30 20 CHED N#CC1(CCn2ccc(-c3ccccn3)n2)CCCCC1 578730834 DIIOANGIQITTLI-UHFFFAOYSA-N 280.375 3.809 30 20 CHED Cc1ccc(C(C)(C)C(=O)N2CCC(CCC#N)CC2)cc1 582610786 ZKRSAURZZAFWHL-UHFFFAOYSA-N 298.430 3.815 30 20 CHED C=C[C@](C)(CC)c1nc(-c2cc(OC)cc(OC)c2)no1 583407074 KAAZHMQNOBUFNV-MRXNPFEDSA-N 288.347 3.608 30 20 CHED C=C(C)C[C@H](C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 584121003 ZKRDNQLEOYEVGY-KSSFIOAISA-N 296.414 3.558 30 20 CHED COc1ccc(COCc2cccc(NCCC#N)c2)cc1 591773339 CIULBOMAXSRMOR-UHFFFAOYSA-N 296.370 3.738 30 20 CHED N#CCCCCN1CCC2(CCc3ccccc3C2)CC1 593035753 AOWHCVMYBLTGHD-UHFFFAOYSA-N 282.431 3.951 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 593456839 GPPIWHCXDRNUGC-SNVBAGLBSA-N 289.360 3.508 30 20 CHED CC[C@@H](CC#N)NCCCc1ccc(C(F)(F)F)cc1 594009025 YWFCSGFPZWLDDB-AWEZNQCLSA-N 284.325 3.920 30 20 CHED C=CCOc1ccccc1C(=O)N[C@H]1CC[C@H](C)CC1 594560217 DKRGQQYIMYPXIV-HDJSIYSDSA-N 273.376 3.560 30 20 CHED C=CCCSCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 594709850 GFYFGLYXEJCPDP-LBPRGKRZSA-N 280.393 3.555 30 20 CHED CCN(Cc1ccc(Cl)cc1Cl)[C@@H](C)C#N 595812864 OSCXZGDKZYWQMO-VIFPVBQESA-N 257.164 3.727 30 20 CHED CC(C)(C#N)CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 596189128 FTIDAZWDSSWHSZ-UHFFFAOYSA-N 287.241 3.575 30 20 CHED N#C[C@]1(C(=O)Nc2nccc3ccccc23)CC12CCCC2 597729673 MKIMFXUUQVWJMR-SFHVURJKSA-N 291.354 3.647 30 20 CHED CCN(C(=O)C[C@H](C)CCC=C(C)C)[C@H](C)C#N 598347945 BXHUPXOGNCORCP-ZIAGYGMSSA-N 250.386 3.520 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C 598522352 ORJPLYISTBJYOJ-UHFFFAOYSA-N 290.363 3.686 30 20 CHED C[C@H]1CN(CC(C)(C)CCC#N)C[C@@H](C)C1(F)F 600183458 LNJYNEVJMWJARG-TXEJJXNPSA-N 258.356 3.539 30 20 CHED Cc1cc([C@H](C)NC(=O)c2ccccc2CC#N)c(C)s1 600993613 JCKYMQAVVBHUAT-LBPRGKRZSA-N 298.411 3.922 30 20 CHED N#CCc1ccc(N[C@@H]2CCc3cccnc3CC2)cc1 601100364 AKYQQEYOIQTGEF-QGZVFWFLSA-N 277.371 3.507 30 20 CHED CC[C@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1C#N 601914275 VREKIZABWCIBGW-UWVGGRQHSA-N 296.823 3.607 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1CCCC1(C)C 602386090 HOORSIGUCCAGOJ-CQSZACIVSA-N 288.366 3.817 30 20 CHED C[C@@H](CCC#N)CN(C)CCOc1ccc(Cl)cc1 602434031 OVKSVZRSDYQFIO-ZDUSSCGKSA-N 280.799 3.590 30 20 CHED Cc1ccc(N[C@H](C)CC2(C#N)CCOCC2)c(C)c1 602491480 IDHWPWCAISKAIU-OAHLLOKOSA-N 272.392 3.814 30 20 CHED Cc1ccc(C)c(N[C@H](C#N)Cc2ccccc2)c1 604553185 ZEQYKZIYOYMDQS-INIZCTEOSA-N 250.345 3.850 30 20 CHED N#Cc1ccc(NC(=O)N2CCCc3sccc3C2)cc1 609335398 ZAZXMIPDAFWPRQ-UHFFFAOYSA-N 297.383 3.600 30 20 CHED CCCc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1 612164759 IIAWMJVNOOCNCZ-KRWDZBQOSA-N 256.393 3.765 30 20 CHED CCCCOCCCNc1nc(C(C)(C)C)ccc1C#N 613409330 VODGHGJRFZJULR-UHFFFAOYSA-N 289.423 3.869 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1 617782920 PDOLAFDOTOTCEF-SNVBAGLBSA-N 283.293 3.532 30 20 CHED CCc1ccccc1Cc1noc(-c2ccc(C#N)s2)n1 618423085 CWNBJOQFNLYCPE-UHFFFAOYSA-N 295.367 3.823 30 20 CHED C=CCC[C@H](NCC1(CC#N)CC1)c1ccccc1 619535107 MRBUSUGFPXAQRA-INIZCTEOSA-N 254.377 3.977 30 20 CHED C=CCN(C(=O)c1ccc2ccncc2c1)C(C)(C)C 622945486 FOGNIVFUCCPTBG-UHFFFAOYSA-N 268.360 3.662 30 20 CHED C=C[C@@](C)(CCOC)C(=O)Nc1ccc2occc2c1 628959481 CASVJGKVKHGDLI-INIZCTEOSA-N 273.332 3.600 30 20 CHED C=CCCCSc1nnc(-c2cccc(OC)c2)o1 629252387 MWZCXJQPJKFALP-UHFFFAOYSA-N 276.361 3.804 30 20 CHED C=CCCC(=O)Nc1ccc(OCCC)c(F)c1 629505701 NWMQQWLAZFXXPP-UHFFFAOYSA-N 251.301 3.519 30 20 CHED C=CC[C@H]1CCCN(CCCCCn2cc(C)cn2)C1 661379703 HDLFYPVVSOFVRW-KRWDZBQOSA-N 275.440 3.650 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@]12CCC[C@H]1C2 667028789 FQZDFZYQEWWNAJ-YOEHRIQHSA-N 270.376 3.869 30 20 CHED C=CCCN[C@@H](CC)c1ccc(OC(F)F)cc1 678796062 XOLKVBGHWZSHSO-ZDUSSCGKSA-N 255.308 3.905 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CC[C@@H]2CCC[C@H]21 685552141 VVKHBYQVEWUONJ-DZGCQCFKSA-N 286.423 3.501 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C(=O)O)cs1 692188965 CXBXMPIBSIMMAU-RISCZKNCSA-N 279.405 3.671 30 20 CHED C[C@H](CC1CCCC1)NCc1cc(C#N)ccc1F 712559033 UVEITGNEETZJHO-GFCCVEGCSA-N 260.356 3.756 30 20 CHED CC(C)(C#N)CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 718004379 CLDCAOHWFQHQSS-JKSUJKDBSA-N 286.419 3.510 30 20 CHED CCCC(CCC)C(=O)Nc1cc(F)cc(C#N)c1 720261483 PMGICMQJJVTJMJ-UHFFFAOYSA-N 262.328 3.852 30 20 CHED C(=NNC1CCCC1)c1cccc(OCc2ccccn2)c1 727651602 HVHMMMCGTABMGJ-UHFFFAOYSA-N 295.386 3.527 30 20 CHED Cc1c(NN=C/C=C/c2ccco2)cccc1[N+](=O)[O-] 727973415 KVQDFHRDUQXOKR-DIBKDCFRSA-N 271.276 3.607 30 20 CHED Fc1ccc(F)c(CNN=Cc2ccnc3ccccc23)c1 731313738 IONXTWKTQZSYLN-UHFFFAOYSA-N 297.308 3.637 30 20 CHED Cc1ccc(/C=C2/COc3ccc(F)cc3C2=O)s1 731565488 QTOJQDBRQOZGCF-POHAHGRESA-N 274.316 3.854 30 20 CHED CC(=NNc1ncccc1Cl)c1sccc1C 733747243 MIVDJSLFMDHBBB-UHFFFAOYSA-N 265.769 3.941 30 20 CHED C[C@H]1CCCC[C@@H]1N1CCC(=NNC2CCCC2)CC1 733902045 ZCIPRBAKUQRNHJ-YOEHRIQHSA-N 277.456 3.549 30 20 CHED C=C(Br)CN1CCCC[C@@H]1[C@@H](C)CC 740423356 HSEDCUHSVHYIRS-CMPLNLGQSA-N 260.219 3.796 30 20 CHED CC/C(=C\C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(C)cc1 741681574 NLZJSYKTWJFTQH-OTMARIDSSA-N 284.403 3.843 30 20 CHED C#CCOc1cc(F)ccc1NCc1cccc2cc[nH]c12 742376271 OWZBTLCFJNPYCH-UHFFFAOYSA-N 294.329 3.931 30 20 CHED CO[C@@]1(C)CC(=NNc2ccc(OC(F)F)cc2)C1(C)C 746576729 QQZGXRLTXUQGMF-HNNXBMFYSA-N 298.333 3.891 30 20 CHED C(=NOCc1cccnc1)c1cnc(C2CCCC2)s1 746587303 AOJSVVDCWMCIQX-UHFFFAOYSA-N 287.388 3.746 30 20 CHED C=CCCCC(=O)OCC(=O)c1oc2ccccc2c1C 748227238 PZGGFJNQJNVNCE-UHFFFAOYSA-N 286.327 3.823 30 20 CHED C[C@H](CCC(=O)OCc1ccnc(C#N)c1)c1ccccc1 750097525 WLWSUMYMDKKENY-CQSZACIVSA-N 294.354 3.580 30 20 CHED CCCCCCCCCOC(=O)c1ocnc1C 750926720 DHVLQOSZANBLCM-UHFFFAOYSA-N 253.342 3.890 30 20 CHED CCCCCCCCOCC(=O)N1[C@H]2C=CC[C@H]1CC2 752430631 SIERHRAEXAHGMI-HOTGVXAUSA-N 279.424 3.683 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1ccccc1C#N 753404052 AJJOZMNVDRMNAJ-UHFFFAOYSA-N 259.349 3.674 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@]1(C)CCOC1 754157966 BRHNWRCRICRYOP-INIZCTEOSA-N 269.429 3.622 30 20 CHED CCCCCCCCNC(=O)N(C(C)C)C1CC1 755074950 IMGXASJQNGXTRA-UHFFFAOYSA-N 254.418 3.929 30 20 CHED CCc1ccc(C(C)=NO[C@@H]2CCCCO2)s1 755821046 YVMNTUBDLDENEU-CYBMUJFWSA-N 253.367 3.578 30 20 CHED C#CCCCOC(=O)c1cncc(-c2ccc(C)cc2)c1 757883817 RCQDZBSXVINQGR-UHFFFAOYSA-N 279.339 3.627 30 20 CHED C[C@@H]1CC[C@@H](NCc2ccc(N(C)CCC#N)cc2)C[C@H]1C 757997647 PWCNQQPSBRJBDW-JFIYKMOQSA-N 299.462 3.951 30 20 CHED C#CCCCC(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 758063078 PEFRFMNKAHGVMS-LBPRGKRZSA-N 297.320 3.729 30 20 CHED CN(C(=O)c1cc(Cl)cs1)c1ccccc1C#N 758694719 YGKCKNXLNGJRAL-UHFFFAOYSA-N 276.748 3.550 30 20 CHED FC(F)CON=C1CCc2ccc(OC(F)(F)F)cc21 758904793 XFBRBMOAMJPUGB-UHFFFAOYSA-N 295.207 3.517 30 20 CHED C#CCC(C)(C)COC(=O)Cc1c[nH]c2cccc(C)c12 760274692 YFTDDYUDXBJRJH-UHFFFAOYSA-N 283.371 3.612 30 20 CHED Cn1cnc2cc(C=NNc3cccc(Cl)c3)ccc21 761253719 MRGRZHMGAZGSSW-UHFFFAOYSA-N 284.750 3.673 30 20 CHED C#CCCc1noc(C(C)(C)Cc2cccc(Cl)c2)n1 762028388 SNWVPYOLRVIWIO-UHFFFAOYSA-N 288.778 3.809 30 20 CHED COc1ccsc1/C=C/C(=O)c1cccc(C)c1 764434142 LTZLRPYUSHGCHM-VOTSOKGWSA-N 258.342 3.961 30 20 CHED C1CCC(C2CCC(=NNC3CCOCC3)CC2)CC1 766456015 UTMDCJZXIVURER-UHFFFAOYSA-N 278.440 3.882 30 20 CHED CCC(CC)[C@@H](C)C(=O)OCc1ccc(C#N)cc1OC 766924959 UYMSSIIASUBKPR-GFCCVEGCSA-N 289.375 3.682 30 20 CHED CCCC(CCC)C(=O)Oc1ccc(C#N)c(OC)c1 767156156 DUYJSQTVIFLFSL-UHFFFAOYSA-N 275.348 3.689 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)CCCC1CCCC1 767157078 WJORIRANDZMNOQ-UHFFFAOYSA-N 289.341 3.761 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1c(Cl)ccc(Cl)c1Cl 767254527 MUWUVJIGONJAHT-SSDOTTSWSA-N 290.577 3.741 30 20 CHED C#C[C@H](C)N(C)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 767263533 UMKIUNOSOLBKKE-GJZGRUSLSA-N 271.404 3.784 30 20 CHED CC(Cc1ccncc1)=NNc1cccc(Cl)c1 767742947 LSOCQDXRSXDCOG-UHFFFAOYSA-N 259.740 3.766 30 20 CHED N#CC1(COC(=O)[C@@H]2CCSc3ccccc32)CCC1 768092264 ZOYNOUQVLKMBHK-CYBMUJFWSA-N 287.384 3.503 30 20 CHED COc1ccsc1C(=O)/C=C\c1nc(Cl)cs1 769745073 XUZIJYQOADJDHG-IHWYPQMZSA-N 285.777 3.763 30 20 CHED Cc1cc(C)c(C=NNCc2ccc(C#N)cc2)c(C)c1 769822640 INIQCXIGFAFVCE-UHFFFAOYSA-N 277.371 3.607 30 20 CHED O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(C3CC3)cc2)c1 771520691 PRAURTHYXONTLE-UHFFFAOYSA-N 282.299 3.928 30 20 CHED C=C(CC)CN(c1ccc(N2CCOCC2)cc1)C(C)C 773450936 AVCFDMRGUIWDSR-UHFFFAOYSA-N 288.435 3.704 30 20 CHED Cc1ccc(OC(F)F)c(/C=C/C(=O)c2cscn2)c1 776191170 FSCRUCRLAVJALV-ONEGZZNKSA-N 295.310 3.949 30 20 CHED C=CCCCC[C@H](C)NCc1nc2c(s1)CCC2 776254742 LGQVOPSDLHAQOV-LBPRGKRZSA-N 264.438 3.856 30 20 CHED CC(C)(C#N)CCOC(=O)CCOc1ccc(Cl)cc1 776374866 WIQSANIZPYHRGZ-UHFFFAOYSA-N 295.766 3.592 30 20 CHED CCCOc1cccc(C(=O)OCCC(C)(C)C#N)c1 776375622 JOMIFOLOLYGWQW-UHFFFAOYSA-N 275.348 3.572 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc(C#N)c(F)c2)cc1 776727172 ROWPQACKTURKBQ-YHYXMXQVSA-N 295.313 3.992 30 20 CHED CC(=NNc1nc2ccccc2cc1C)c1ccc(N)cc1 776782908 NKINJMSTJSYPJJ-UHFFFAOYSA-N 290.370 3.962 30 20 CHED COc1ccc(C(C)=NOC2CCCCC2)c(OC)c1 777457922 BWMOVAAWNJMMOI-UHFFFAOYSA-N 277.364 3.777 30 20 CHED Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)c1 777915785 ZCIHTWRCEXDLFC-SOFGYWHQSA-N 285.274 3.938 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3ccnc(Cl)c3)cnc12 779460751 RYFSKMUXHDHWCD-SNAWJCMRSA-N 297.745 3.587 30 20 CHED C#CCCCCCC(=O)N(Cc1cccc(F)c1)C1CC1 779807054 MSPCVQSDJOUEOC-UHFFFAOYSA-N 287.378 3.900 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)c1cc(C)c(C)cc1C 780246195 FVGZYOJLRXZAOF-INIZCTEOSA-N 288.435 3.883 30 20 CHED CC1(C)C[C@@H](NN=C2CCc3ccc(Cl)cc32)CCO1 780251089 RNIQRZXCRNYLCG-ZDUSSCGKSA-N 292.810 3.538 30 20 CHED Cc1ccc(-c2ccc(C(=O)O[C@H](C)CC#N)s2)o1 781803243 BDHMNOFOMNGQMB-SNVBAGLBSA-N 275.329 3.776 30 20 CHED Cc1cccc(CCC(=O)OCCCC(C)(C)C#N)c1 782231146 NRQWEZJAFURZRK-UHFFFAOYSA-N 273.376 3.801 30 20 CHED CCOc1c(Cl)cccc1C=NNC1CCCCC1 782281845 GCGSCIFMOWRALP-UHFFFAOYSA-N 280.799 3.995 30 20 CHED CCOc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1F 782351072 HQPCVDKMXKIEFO-QPEQYQDCSA-N 298.313 3.752 30 20 CHED C=CCCCCCOC(=O)c1c(CC)nn(C)c1Cl 784472572 VVSWMTSOCKMKOV-UHFFFAOYSA-N 284.787 3.539 30 20 CHED CCC1=C(C(=O)O[C@H](C)c2ccc(C#N)cc2)CCCO1 784927677 SNGUGWVHDNBPTK-GFCCVEGCSA-N 285.343 3.637 30 20 CHED C=CCCCCCOC(=O)c1cccc(OC)c1[N+](=O)[O-] 785020103 WESFXRPDYGBRTC-UHFFFAOYSA-N 293.319 3.507 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cnc(Cl)c(Cl)c1 785856400 OWNLKYSQNZMWDM-JTQLQIEISA-N 285.174 3.569 30 20 CHED C#CCC1(c2nc(-c3cccc(OC)c3)no2)CCCCC1 788102570 IAVBPRCMLPETHJ-UHFFFAOYSA-N 296.370 3.970 30 20 CHED COc1ncc(C(=O)/C=C/c2ccsc2)cc1Cl 789156598 CLMGZXKUCPNPNO-NSCUHMNNSA-N 279.748 3.701 30 20 CHED COc1cccc(C=NNc2ccccc2C(F)(F)F)n1 790141937 ZBECVAVACHMFLT-UHFFFAOYSA-N 295.264 3.555 30 20 CHED CC[C@@H](C)CON=Cc1cc(F)cc2cccnc12 793163232 HNOWYLHQAYOEDT-LLVKDONJSA-N 260.312 3.771 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1C[C@H](OCC)[C@@]12CCCO2 793554430 PRRBZWRZCHCHCA-XWTMOSNGSA-N 295.467 3.828 30 20 CHED Fc1ccc(NN=C2CCOc3cc(F)ccc32)c(F)c1 794856486 LSOOFUHMDQVAIU-UHFFFAOYSA-N 292.260 3.703 30 20 CHED C[C@@H]1CC(=NNc2cncnc2)C[C@@H](c2ccccc2)C1 794976808 QLVTYWXLWKBBFC-ZFWWWQNUSA-N 280.375 3.848 30 20 CHED CCCCCCCCNC(=O)[C@H]1CCC(F)(F)C1 795199064 DKFYPTKGVITEFL-LBPRGKRZSA-N 261.356 3.899 30 20 CHED C=CCNC(=O)[C@H](C)S[C@@H]1CCc2cc(Cl)ccc21 795380517 CWSZSGGGWQSCTH-IINYFYTJSA-N 295.835 3.751 30 20 CHED C=CCC[C@H](NCCNc1ccccc1)c1ccco1 796791418 AWZGOWRYJSLKDK-INIZCTEOSA-N 270.376 3.989 30 20 CHED CC[C@@H](OC(=O)c1cc(C#N)oc1C)c1cccc(OC)c1 797951864 IZOQSNXCCLWMNS-MRXNPFEDSA-N 299.326 3.776 30 20 CHED CC(C)C[C@@H](C)COC(=O)c1ccccc1CC#N 798587516 UTKLREOZLQTTRH-CYBMUJFWSA-N 259.349 3.592 30 20 CHED COCCON=CC(Cc1ccccc1)Cc1ccccc1 799110725 BZEODMJJNVQQDA-UHFFFAOYSA-N 297.398 3.737 30 20 CHED C#C[C@@H](NC(=O)Nc1cccc(OCC(C)C)c1)C(C)C 799181654 BDDCBOCZAUIYPZ-MRXNPFEDSA-N 288.391 3.501 30 20 CHED Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1C#N 799293418 KOHPXPNNMSLVJH-GOSISDBHSA-N 290.366 3.674 30 20 CHED CCc1cccc(C)c1NN=Cc1cnc(N(C)C)s1 799493798 PXBYLEXPQTUCBQ-UHFFFAOYSA-N 288.420 3.526 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H](C)CCCC)c1 799930976 BIGSKCVBPOOWIU-CQSZACIVSA-N 257.377 3.847 30 20 CHED C=CCC[C@H](C(=O)O[C@H]1CC[C@H](OC)C1)c1ccccc1 800031711 UFNLVVJDICVJTH-ULQDDVLXSA-N 288.387 3.847 30 20 CHED CC#CC(=O)N(CCC)[C@@H](CCC)Cc1ccccc1 801149190 ZKMVIQPPNLSOOH-KRWDZBQOSA-N 271.404 3.660 30 20 CHED CC(C)c1[nH]ccc1C(=O)OCc1cc(C#N)ccc1F 803780963 NCGNDGLIFAEPDM-UHFFFAOYSA-N 286.306 3.506 30 20 CHED N#CCCCOC(=O)c1ccc(C#Cc2ccccc2)cc1 805775434 GMKCXQIJVDGTNK-UHFFFAOYSA-N 289.334 3.547 30 20 CHED CCOc1ccc(/C=N\[C@H](C2CC2)C(F)(F)F)c(O)c1 806552351 RTBZGAUMBNVWQE-KURMNSRBSA-N 287.281 3.551 30 20 CHED Fc1ccc(NN=Cc2c[nH]c(C(F)(F)F)c2)cc1 807942808 KNFBZVUPBXFMEU-UHFFFAOYSA-N 271.217 3.619 30 20 CHED COc1cc(C#N)ccc1OC(=O)C(C1CCC1)C1CCC1 807988288 QIWOOPBSQKNWER-UHFFFAOYSA-N 299.370 3.689 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2cc(C#N)ccc2Cl)C1 808709447 BGPMRYGXTUQBLD-KOLCDFICSA-N 263.724 3.557 30 20 CHED C#Cc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1 809552446 VDTKSYQDNZDDTP-LJQANCHMSA-N 277.367 3.711 30 20 CHED C=CCCCCOC(=O)c1cc2ccccc2n1CC#N 811014272 SJSOARIYZIMSOM-UHFFFAOYSA-N 282.343 3.678 30 20 CHED CCON=C/C(C)=C\c1ccccc1OC(F)F 811636728 KIIVARAUFORGBF-IKIFPBNXSA-N 255.264 3.714 30 20 CHED C=CC[C@H](NCc1cc(F)ccc1OC)c1ccncc1 812756597 OAVBYFVKZYNLBX-INIZCTEOSA-N 286.350 3.636 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N[C@]2(C#N)CC2(C)C)cc1 813300787 MSTRFUXYSMXBJG-PXAZEXFGSA-N 270.376 3.622 30 20 CHED CCCCN(Cc1ccccc1O)c1ccc(C#N)c(C)n1 813606397 QIUQQKOGXWBALO-UHFFFAOYSA-N 295.386 3.774 30 20 CHED FC(F)CON=C1CC[C@H](Cc2ccccc2)C1 814904004 MLLZXHVOXSYRKN-GFCCVEGCSA-N 253.292 3.667 30 20 CHED COc1cc(F)ccc1NN=C1CS[C@H](C(C)C)C1 814916022 OWHBYXCGYTXHNF-AWEZNQCLSA-N 282.384 3.764 30 20 CHED CC(C)c1nccnc1NN=C1CC(c2ccccc2)C1 814916278 DXPZMNCZTURIHM-UHFFFAOYSA-N 280.375 3.946 30 20 CHED C=CCC(F)(F)C(=O)N(Cc1ccc(F)cc1)CC1CC1 815629040 RATZRPBFWCOYNY-UHFFFAOYSA-N 297.320 3.776 30 20 CHED C=CCC(F)(F)C(=O)N1CCC[C@H]1CCCCC 815831120 ZDUSJEGBPJDVFM-GFCCVEGCSA-N 259.340 3.769 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Cl)c(N)c(Cl)c1 818356833 RLDIKVILFAFKPB-WCABBAIRSA-N 298.217 3.918 30 20 CHED C=C(C)CCNCc1cc2cnn(C(C)C)c2nc1Cl 824743628 JHDISHQXHYQEHI-UHFFFAOYSA-N 292.814 3.721 30 20 CHED CC(C)c1nc([C@@H](C)NCC2(C#N)CCC2)cs1 828822725 OBPZLCYYSUKKTC-LLVKDONJSA-N 263.410 3.611 30 20 CHED O=C(O)c1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1 833309927 JKHPUIJYAVKPCQ-CMDGGOBGSA-N 288.249 3.559 30 20 CHED C=CCC1(C(=O)OCc2noc3c2CCCC3)CCCC1 835392083 NPVNFZWVJZSSSS-UHFFFAOYSA-N 289.375 3.733 30 20 CHED C=CCC1(C(=O)OC[C@@H](F)C(F)(F)F)CCCC1 835400921 KPVYCOQTIOQXKX-SECBINFHSA-N 268.250 3.567 30 20 CHED CC(C)(C)Sc1ccc(NC(=O)NCCC#N)cc1F 836718759 FOVAESJTMMUXIO-UHFFFAOYSA-N 295.383 3.751 30 20 CHED C[C@H](NC(=O)C#CC(C)(C)C)c1ccccc1OC(F)F 837332399 JSCOMZFKXQMTRG-NSHDSACASA-N 295.329 3.515 30 20 CHED C[C@H](c1ccc(Cl)cc1)N(C(=O)C#CC1CC1)C1CC1 837351769 BMLDEVRFGCEALP-GFCCVEGCSA-N 287.790 3.805 30 20 CHED Cc1c(Br)cccc1NC(=O)C#CC(C)(C)C 837386082 HSZGYBNDFLSZST-UHFFFAOYSA-N 294.192 3.746 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCc3sccc32)C1 839054241 LBHVLAUWHCGLJP-YRGRVCCFSA-N 289.400 3.794 30 20 CHED CC(C)(C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1cccc(F)c1 839054450 OJDWDNLXDVDGJN-DOMZBBRYSA-N 289.350 3.729 30 20 CHED CC(C)(Cc1ccccc1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 839054826 ORWKKRPEXZQRQK-CVEARBPZSA-N 285.387 3.881 30 20 CHED CC[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 839056477 MGTHWUHJHXOFTP-BMFZPTHFSA-N 271.360 3.806 30 20 CHED N#CC1(CCOC(=O)c2scnc2Cl)CCCCC1 840215399 ODBDVSKJRQTQNF-UHFFFAOYSA-N 298.795 3.817 30 20 CHED C#CCCCC(=O)OCc1cccc(CN2CCCCC2)c1 840493261 KDEUALIHCISZPL-UHFFFAOYSA-N 299.414 3.519 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cnc(C(C)(C)C)nc1 840712981 JHYIGRRNOZUZHK-KTKRTIGZSA-N 280.371 3.979 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(OC(C)(C)C)cc2)nn1C 840721914 WRQOMPYUYUVTFR-FLIBITNWSA-N 298.386 3.802 30 20 CHED Cc1ccc(C2(C(=O)OCC(C)(C)C#N)CCC2)cc1 842753531 FVKOHFSPDXEOMJ-UHFFFAOYSA-N 271.360 3.510 30 20 CHED C=C(C)CONC(=O)Nc1c(C)cc(C)cc1Cl 844488061 NGCPLZGPPXWKKO-UHFFFAOYSA-N 268.744 3.586 30 20 CHED CCCCCC(C)=NNc1ncc(Br)cn1 848421556 LZGNUUVVSFAKCT-UHFFFAOYSA-N 285.189 3.607 30 20 CHED C[C@@H]1/C(=C\c2ccnn2CC2CC2)C(=O)c2ccccc21 849249792 LVCNZYRBVPNRLQ-VAKHEIKFSA-N 278.355 3.677 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1ccc(OCC#N)cc1 850444206 VOYCLUZQHRDXBF-IKGGRYGDSA-N 284.403 3.503 30 20 CHED C=Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1 851203466 AMOWAUOVJJRTGF-GFCCVEGCSA-N 257.333 3.815 30 20 CHED C#C[C@](C)(CC)NCc1ncc(-c2cccc(Cl)c2)o1 852098757 VEXNGODDYKYROX-MRXNPFEDSA-N 288.778 3.887 30 20 CHED Cc1noc(C)c1/C=C\C(=O)c1ccc2c(c1)CCCO2 853010776 MAYFYAIMEUOTDR-SREVYHEPSA-N 283.327 3.513 30 20 CHED C[C@H]1CCCCN1N=C1CCC[C@@H](C(F)(F)F)C1 853380220 QMCRTEMYWUQIJY-WDEREUQCSA-N 262.319 3.969 30 20 CHED C#Cc1cccnc1NC[C@H]1CCC[C@@H](C(F)(F)F)C1 853431898 MKLXPIGDFVFPFB-WCQYABFASA-N 282.309 3.844 30 20 CHED C=CCN(C(=O)Nc1ccc(CCC)cc1)[C@H](C)COC 854225344 DCLJFECENNWRAJ-CQSZACIVSA-N 290.407 3.694 30 20 CHED C#CCCOC(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 859168150 DLVRHDCTWKTOHA-GFCCVEGCSA-N 297.276 3.703 30 20 CHED CCC(CCc1ccccc1)=NNc1nccnc1Cl 863093178 BFNXUQFXHNCQEU-UHFFFAOYSA-N 288.782 3.941 30 20 CHED Fc1ccc(F)c(C=NN[C@H]2C[C@H]3CC[C@H]2C3)c1Cl 863105256 ZVMYDSQIBLGSQA-RVBZMBCESA-N 284.737 3.730 30 20 CHED COc1ccc(C)cc1/C=C1\CCc2scnc2C1=O 863196246 BUQXBOORBLQUHS-DHZHZOJOSA-N 285.368 3.673 30 20 CHED C=C1CCN(C(=O)[C@@H](C)CCc2ccc(F)cc2)CC1 865178036 RAKPDGFEZABISA-AWEZNQCLSA-N 275.367 3.573 30 20 CHED CCc1csc([C@@H](C)Nc2nc(Cl)c(C#N)s2)n1 865898279 OZFIXNVZRVLEGV-ZCFIWIBFSA-N 298.824 3.860 30 20 CHED C#CCCCCC(=O)O[C@@H]1CCO[C@H](c2ccccc2)C1 873621626 LDYRBSOYDXNBFM-SJORKVTESA-N 286.371 3.644 30 20 CHED CSC[C@](C)(C#N)NC(=O)/C(C)=C\C1CCC(C)CC1 875715036 ZOONXLMCBOSUSW-YIMMKNQPSA-N 294.464 3.520 30 20 CHED CC(=O)N(c1ccc(NC[C@H](C)CCC#N)cc1)C1CC1 877553662 WXXCDKQFJSJTHP-CYBMUJFWSA-N 285.391 3.554 30 20 CHED Cc1coc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 879029620 UGPHXXKANDMDEV-CVEARBPZSA-N 294.354 3.500 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc(N(C)C(=O)CC)cc1 882070087 CJUNRSJQVHNDKP-UHFFFAOYSA-N 288.391 3.600 30 20 CHED C=C1CCC(C(=O)Nc2cc(F)c(OC)c(F)c2)CC1 888327331 XXPZPTUUWJATGC-UHFFFAOYSA-N 281.302 3.658 30 20 CHED CC(C)(C)OCc1cccc(NCc2cccc(C#N)n2)c1 897124766 NLNQSTXXNNVWNH-UHFFFAOYSA-N 295.386 3.880 30 20 CHED O=C(/C=C/c1ccc(C(F)F)cc1)c1cc2n(n1)CCC2 901560345 JSZQOAWXMJYACW-VMPITWQZSA-N 288.297 3.663 30 20 CHED CC[C@H](NCc1cccc2c1OCO2)c1cccc(C#N)c1 902759472 YENILMHFNWJBQS-INIZCTEOSA-N 294.354 3.528 30 20 CHED CC[C@@H](NC[C@@H](C)c1nccs1)c1cccc(C#N)c1 902952315 XABBLGWPTIKFHC-IUODEOHRSA-N 285.416 3.859 30 20 CHED CC(C)(C#N)CN[C@H]1CCc2ccc(OC(F)(F)F)cc21 903099921 BZOVCIWQXDUFHO-ZDUSSCGKSA-N 298.308 3.712 30 20 CHED CN(C(=O)CCC1(C)CC1)c1ccc(C#N)c(Cl)c1 906087899 CDKZFVSQQBTKCJ-UHFFFAOYSA-N 276.767 3.755 30 20 CHED Oc1nc2ccccc2cc1/C=N\CCCc1ccccc1 912773770 VWNYCXJBSJXCIT-ZHZULCJRSA-N 290.366 3.992 30 20 CHED O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2CCCC2)c1O 914702181 YQGHIDBSPLJLPJ-OVCLIPMQSA-N 282.727 3.563 30 20 CHED Cc1cc(NN=Cc2ccc3ccccc3c2)nc(C)n1 915967390 BQSJTUHPLAIVNP-UHFFFAOYSA-N 276.343 3.693 30 20 CHED C=CCN(C(=O)Nc1ccccc1Br)C(C)C 916705623 VNBVOZNORFBYNR-UHFFFAOYSA-N 297.196 3.877 30 20 CHED Cc1ccccc1C1=NNC(=Nc2ccccc2F)SC1 917626769 YSSLBYNKNPRUSS-UHFFFAOYSA-N 299.374 3.862 30 20 CHED C#CCCOc1ccc(C=NNc2ncccc2Cl)cc1 920374571 GVBGGLNMCKEUOI-UHFFFAOYSA-N 299.761 3.583 30 20 CHED C#CC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 921934939 ICVTZTKHCNIROA-LJQANCHMSA-N 291.394 3.866 30 20 CHED C[C@@H](COc1ccc(F)cc1F)N[C@@H](C)CC(C)(C)C#N 924767335 AKTAPDMEJPMNSP-RYUDHWBXSA-N 296.361 3.650 30 20 CHED C[C@H](N[C@H](C)C1(Br)CC1)c1ccc(C#N)cc1 924786816 TWZJLGJAFVVAQA-WDEREUQCSA-N 293.208 3.525 30 20 CHED CC(C)c1csc(CN[C@@H](C)CC(C)(C)C#N)n1 925282651 KCHJBRMOPSAWBR-NSHDSACASA-N 265.426 3.684 30 20 CHED CCc1cccc2c1OCC[C@H]2N[C@@H](C)CC(C)(C)C#N 925361361 OEJHNKYQCOHJTK-XJKSGUPXSA-N 286.419 3.991 30 20 CHED CC1(CCC(=O)N[C@@](C)(C#N)C2CCCCC2)CC1 932885632 AIUXONIUKZWMKN-INIZCTEOSA-N 262.397 3.545 30 20 CHED COc1ccc(Cl)cc1CC/N=C/c1ccccc1O 1116044870 OZYYSMOWFPBPIM-WOJGMQOQSA-N 289.762 3.716 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(Cl)c(Cl)c1O 1116643697 SLDCGFWWOJPPSZ-DTWKUNHWSA-N 290.190 3.551 30 20 CHED CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 1116810770 CWILHYVMZVQOIA-KCXAZCMYSA-N 260.356 3.949 30 20 CHED N#Cc1csc(/C=C\c2ccc(N3CCCC3)cc2)n1 1119597095 HFMYISWZARFJKG-YVMONPNESA-N 281.384 3.785 30 20 CHED COc1c(C)cc(C(=O)Nc2cc(F)cc(C#N)c2)cc1C 1132445869 OFPITAHZEJYVHE-UHFFFAOYSA-N 298.317 3.575 30 20 CHED N#Cc1cnnc(N2C[C@@H](c3ccccc3)c3ccccc32)c1 1163190821 FBJNCXVTNYISQM-KRWDZBQOSA-N 298.349 3.632 30 20 CHED C[C@H](CN(C)c1nc(C#N)c(Cl)s1)c1ccccc1 1185231144 SHDDNFAUCMHBQJ-SNVBAGLBSA-N 291.807 3.908 30 20 CHED Cc1ccc(C#N)c(N(C)Cc2ccc(C)c(C)c2)n1 1186696979 YQEODTOJIMUVIR-UHFFFAOYSA-N 265.360 3.515 30 20 CHED COc1cc(C#N)ccc1C(=O)N[C@@H](C)CCCC(C)C 1192268533 OXHZUGQOXSCJLB-ZDUSSCGKSA-N 288.391 3.511 30 20 CHED Cc1ccc(C)c(NC(=O)Nc2cc(C#N)ccc2F)c1 1202767318 AYSYZALACXEZDG-UHFFFAOYSA-N 283.306 3.958 30 20 CHED CC1(CNC(=O)Nc2sccc2C#N)CCCCC1 1207294480 XUOSBVSJGCFEHA-UHFFFAOYSA-N 277.393 3.712 30 20 CHED CC(C)Oc1ccc2ccccc2c1CN1CC(C)(C#N)C1 1231735483 RXMFTRYCCKKILU-UHFFFAOYSA-N 294.398 3.972 30 20 CHED C[C@H]1C[C@@H](C(=O)Nc2ccc(C#N)cc2)CC[C@H]1C 1264212414 FYBFYCDMCSEEOT-DYEKYZERSA-N 256.349 3.569 30 20 CHED COc1cc(C#N)ccc1C(=O)Nc1ccc(C2CC2)cc1 1266742402 YQWZLBDZJBEANB-UHFFFAOYSA-N 292.338 3.697 30 20 CHED C=C(Cl)Cn1c(CC(C)C)nnc1N(C)[C@@H](C)CCC 1286630800 VOQYZUAQQAHWEY-ZDUSSCGKSA-N 298.862 3.854 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1Cc2ccccc2CO1 1308018834 FNXGZRHUEOTGCP-ZDUSSCGKSA-N 264.328 3.567 30 20 CHED CC1(C)CCC[C@H](CNCc2cc(C#N)cs2)C1 1308437892 ULHRZBNMVLXAGG-LBPRGKRZSA-N 262.422 3.926 30 20 CHED C[C@@H](CCc1ccccc1)NC(=O)CC#Cc1ccccc1 1319200632 YRBFWMPPIHTJOD-KRWDZBQOSA-N 291.394 3.566 30 20 CHED CCC(CC)c1cc(CNc2cccc(CC#N)n2)on1 1319279520 YKGLHBDTQIAPCZ-UHFFFAOYSA-N 284.363 3.651 30 20 CHED CC(C)(C)C1CCN(N=Cc2cccc3c[nH]nc23)CC1 1321017780 QFQPMNJKNFHWKL-UHFFFAOYSA-N 284.407 3.655 30 20 CHED Cc1ccc(C(C)(C)CNc2cccc(CC#N)n2)cc1 1321328381 CRQWLUSRZBZEQG-UHFFFAOYSA-N 279.387 3.846 30 20 CHED CC(C)(C)CCCc1nnc(-c2ccc(C#N)cc2)o1 1322256254 HVAFOSUPPDQJLG-UHFFFAOYSA-N 269.348 3.977 30 20 CHED CC1(C)CN(C(=O)c2csc(C#N)c2)[C@H]1c1ccccc1 1325104708 SVUVBQWMBCHUIM-HNNXBMFYSA-N 296.395 3.843 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1c1cccc(CC#N)n1 1326501085 CHOYMAHFOKRUSM-RVKKMQEKSA-N 291.398 3.919 30 20 CHED CCCCCCCNC(=O)N(C)CCC(F)(F)F 1332650999 ZDSLSZVLJCAAAK-UHFFFAOYSA-N 268.323 3.551 30 20 CHED C=C(C)CCC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 1337203796 BTTJGKXXLDXIOY-JTQLQIEISA-N 291.782 3.750 30 20 CHED COc1cc(C)nc(CSCc2cccc(C#N)c2)c1 1341850886 VFLDFUAANWAKPN-UHFFFAOYSA-N 284.384 3.704 30 20 CHED C#C[C@@H](C)OC(=O)c1csc(-c2ccc(CC)cc2)n1 1342618341 DXMPRSYHUKYYAT-LLVKDONJSA-N 285.368 3.551 30 20 CHED CC(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1C 1351279303 UTEZOAUCNFCCRI-UHFFFAOYSA-N 292.338 3.516 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1F 1436644618 QACXVINJYGZGHF-NWDGAFQWSA-N 274.339 3.708 30 20 CHED CO[C@H]1CCC[C@@H](Sc2ccc(C#N)c(C)c2)C1 1473049073 MQALVIUOZSTUKY-UONOGXRCSA-N 261.390 3.916 30 20 CHED CCN(C[C@@](C)(OC)C1CC1)[C@H](C)c1ccc(C#N)cc1 1474370039 OAJTZBVOAJDXIF-RDTXWAMCSA-N 286.419 3.756 30 20 CHED N#Cc1csc(C(=O)Nc2c(F)cccc2Cl)c1 1528645428 QESFCFZIKRBICH-UHFFFAOYSA-N 280.711 3.665 30 20 CHED N#C[C@H](CC(F)(F)F)C1CCN(Cc2ccccc2)CC1 1537963543 PVBQKWNRXUYERS-HNNXBMFYSA-N 296.336 3.991 30 20 CHED Cc1nc(N(Cc2ccccc2)CC(C)C)ccc1C#N 1559084663 DPMSSZJINLNDPX-UHFFFAOYSA-N 279.387 3.924 30 20 CHED Cc1ccc2c(c1)N(Cc1ccc(F)cc1C#N)C[C@@H](C)O2 1559587678 HCZGFVVNOYCCSN-CYBMUJFWSA-N 296.345 3.793 30 20 CHED CC[C@@H](NC(=O)Nc1cc(C)c(C#N)cn1)c1ccccc1 1563137200 MPBPRDADCIFOTR-OAHLLOKOSA-N 294.358 3.535 30 20 CHED C=CCC[C@H](NCc1cc(C(=O)O)n(C)c1)c1ccccc1 1609324908 VEXRKFIDLDONJO-INIZCTEOSA-N 298.386 3.520 30 20 CHED Cc1ccc(C[C@H](C)Nc2nc(C)ccc2C#N)c(C)c1 1611976147 RLKLGBDTRGBFDV-HNNXBMFYSA-N 279.387 3.922 30 20 CHED C[C@@H]1CCC[C@@H](Cn2cc(C#N)c3ccccc3c2=O)C1 1614734260 GVMXWHCWZFPCSZ-ZIAGYGMSSA-N 280.371 3.699 30 20 CHED CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C#N 1617557601 WSJGVSOGPLOEIV-NXEZZACHSA-N 264.756 3.832 30 20 CHED C[C@@H](CN1CC(Oc2ccc(C#N)cc2)C1)C1CCCCC1 1621380936 KCZIDWWIZKARQO-HNNXBMFYSA-N 298.430 3.838 30 20 CHED Cc1nc(N[C@@H](Cc2ccccc2)C(C)C)ccc1C#N 1651411617 FGEATWGRNPKWOD-KRWDZBQOSA-N 279.387 3.941 30 20 CHED COCCc1ccc(Oc2ncccc2C#N)c(Cl)c1 1652098866 UTSOPMDFWBBWHN-UHFFFAOYSA-N 288.734 3.588 30 20 CHED N#Cc1c(F)cccc1SCc1ccncc1F 1656593288 ZAIZDYJTKWGKNM-UHFFFAOYSA-N 262.284 3.524 30 20 CHED Cc1cccc(N(C)C(=O)Nc2ccc(C#N)c(F)c2)c1C 1662467071 SKWKYQOFBBJTFJ-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CC[C@@H](C)Oc1cccc(NCc2ccc(C#N)cc2F)n1 1663113970 VEUUPTNGKLYKDX-GFCCVEGCSA-N 299.349 3.882 30 20 CHED CC(C[C@@H]1C=CCC1)=NNc1ccccc1C(=O)O 1776031834 ZSGCQXUPOLNYBA-GFCCVEGCSA-N 258.321 3.529 30 20 CHED CC[C@H](NN=C1CCCCC[C@@H]1c1ccccc1)C(=O)O 1776066850 HQKGVYGDXMGRMF-CABCVRRESA-N 288.391 3.543 30 20 CHED C=CC[C@]1(C(=O)O)CCCN(C[C@H]2CCC(C)(C)C2)C1 1776153663 SDZYUXMUDQCSAP-YOEHRIQHSA-N 279.424 3.556 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H]2CCCC(C)(C)C2)CC1 1776159168 VDRSHLPBTACCFN-OAHLLOKOSA-N 293.451 3.946 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(Cc2cccc(C(C)C)c2)C1 1776162455 AQDBYDOTCCOWDG-GOSISDBHSA-N 287.403 3.663 30 20 CHED C=CCCCCN(C)Cc1cccc(C(=O)O)c1Cl 1776174960 QEYMIJLIDWZXPG-UHFFFAOYSA-N 281.783 3.826 30 20 CHED C[C@H](CC(=O)Nc1cccc(OCC#N)c1)CC(C)(C)C 36987795 LCVZXBZFVUTXQG-CYBMUJFWSA-N 288.391 3.990 30 20 CHED Cc1ccc(CNc2ccc(CC#N)cc2)c(C)c1 37071250 IJYIWYPMIRUPLW-UHFFFAOYSA-N 250.345 3.982 30 20 CHED Cc1nc2ccccn2c1CNc1ccc(Cl)c(C#N)c1 37282013 UKSLMLYWZTXTLB-UHFFFAOYSA-N 296.761 3.780 30 20 CHED C[C@H](c1ccccc1F)N(C)C(=O)Nc1cccc(C#N)c1 47338254 YVTCHZCQSLWVGO-GFCCVEGCSA-N 297.333 3.922 30 20 CHED N#Cc1cccc(OCc2ccc(Cl)cc2[N+](=O)[O-])c1 52929249 UJKGGIJYEQRJAM-UHFFFAOYSA-N 288.690 3.699 30 20 CHED CC[C@@H](CC#N)NC1CC(c2ccccc2Cl)C1 54183467 PCLIUQIFLUCCDY-CPCZMJQVSA-N 262.784 3.868 30 20 CHED CCN(C(=O)Nc1cc(C#N)ccc1C)[C@@H](C)C(C)C 58451140 GTVOIPQMHLCQAL-ZDUSSCGKSA-N 273.380 3.765 30 20 CHED CN(Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)n1 59896303 YUDYIACAELPAPW-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C=CCN(CCc1ccccc1)Cc1cn2ccccc2n1 62364239 KDRIDDFMVGKXQW-UHFFFAOYSA-N 291.398 3.565 30 20 CHED COc1ccc(/C=C2\COc3c(C)cc(C)cc3C2=O)cc1 72031070 JUPABRAHHUKAFQ-XNTDXEJSSA-N 294.350 3.971 30 20 CHED C[C@H](Cc1ccc(Cl)cc1)N(C)CCCCC#N 76733088 OULBQSHTQODULY-CYBMUJFWSA-N 264.800 3.897 30 20 CHED C=CCCO[C@H](C)C(=O)NC(C)(C)c1cccc(Cl)c1 78180900 KSROPBALFGNXOH-GFCCVEGCSA-N 295.810 3.673 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)o1 78998381 AGNVEGMGYVJEPW-HZMBPMFUSA-N 297.314 3.795 30 20 CHED CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C#N)cc1 81175650 MPXOBXLEILBFLB-CZUORRHYSA-N 270.376 3.599 30 20 CHED C[C@@H](C#N)CNC(=O)Nc1cccc(-c2cccs2)c1 84908738 DJDPHWNNJQGKRH-NSHDSACASA-N 285.372 3.696 30 20 CHED C#CCNc1ccc(Oc2ccc(Cl)cn2)cc1 85278933 HWNKZBPNGSYJQP-UHFFFAOYSA-N 258.708 3.572 30 20 CHED Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C)c1 90163189 UJBGYQKJVSLKHC-HNNXBMFYSA-N 292.382 3.975 30 20 CHED Cc1cccc(C2=CCN(C(=O)C3(C#N)CCCC3)CC2)c1 92518295 XAQXSGZSOOIVQV-UHFFFAOYSA-N 294.398 3.695 30 20 CHED CC(C)c1ccc(CCC(=O)Nc2ccc(C#N)cn2)cc1 103926716 FGLCZYBOJQDJMB-UHFFFAOYSA-N 293.370 3.648 30 20 CHED CC(C)(C)c1csc(CNCc2ccc(C#N)cc2)n1 105498453 VPQRZGXAWUQWCA-UHFFFAOYSA-N 285.416 3.602 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@H](CCO)C1 106963685 NHSSHSYCXBOSPD-MRXNPFEDSA-N 283.456 3.748 30 20 CHED C[C@@H](C[C@H]1CCCO1)Nc1ccc(C#N)c(C(F)(F)F)c1 109129345 OQNXXYCIVQRRFZ-GXFFZTMASA-N 298.308 3.947 30 20 CHED COc1ccc2nc(N=C(SC)SC)oc2c1 114086429 MCJMOOSFVFFZJC-UHFFFAOYSA-N 268.363 3.550 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc(C)s1 114671177 MZGGLVOKZDCVGB-UONOGXRCSA-N 293.432 3.701 30 20 CHED CCCCCN(C(=O)c1ccc(C#N)nc1)[C@H](C)CCC 115044048 JYGRTMGDJSFOMU-CQSZACIVSA-N 287.407 3.774 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccsc2)cc1 120464658 GBBALFFCYKWPLO-ZDUSSCGKSA-N 286.400 3.671 30 20 CHED Cc1ccc(Cl)c(NC(=O)NCc2cccc(C#N)c2)c1 120657757 SBDBPLLURXDCDW-UHFFFAOYSA-N 299.761 3.842 30 20 CHED C[C@@H](CC#N)N(C)Cc1csc(Nc2ccccc2)n1 123727956 XYDYXOYVXNMOQL-LBPRGKRZSA-N 286.404 3.621 30 20 CHED COc1ccc(C#N)cc1CN(C)Cc1ccc(C)cc1 130393781 TZPBRPSPCOAQEE-UHFFFAOYSA-N 280.371 3.507 30 20 CHED N#Cc1cccc(CNCc2cc(F)cc3cccnc23)c1 130492074 LLCQOGYLDKOENC-UHFFFAOYSA-N 291.329 3.535 30 20 CHED C#CCCOc1ccc(CN(C)[C@@H](C)c2ccco2)cc1 131097633 SNYXTLYCAYMUGT-HNNXBMFYSA-N 283.371 3.875 30 20 CHED CCCCCCCC(=O)N(C)c1ncccc1F 131243546 NAEZQHKSLKPIFT-UHFFFAOYSA-N 252.333 3.544 30 20 CHED Cc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1ccccn1 132200854 MCOMOMJRBQAZSB-ZDUSSCGKSA-N 270.719 3.534 30 20 CHED C=CCC[C@H](NC(=O)Nc1cc(C)on1)c1ccccc1 153294949 OWTYWTBHDVNRLS-AWEZNQCLSA-N 285.347 3.812 30 20 CHED C=CCN(C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 153524652 VEQANAAHMZHSEE-SECBINFHSA-N 287.190 3.882 30 20 CHED CC#CCCSCc1nc(-c2ccc(F)cc2)no1 154925518 RKGHDCYLCBUYGL-UHFFFAOYSA-N 276.336 3.522 30 20 CHED C#CCCCCNC(=O)N(CC)Cc1cccc(Cl)c1 154968528 KDIUTKITAZCWNO-UHFFFAOYSA-N 292.810 3.675 30 20 CHED C=C(C)CNC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 156650067 UHADEPQLXVHZKD-UHFFFAOYSA-N 287.190 3.711 30 20 CHED C#CCCCNC(=O)CCCSc1ccc(Cl)cc1 172944318 MNKZGVKNAQKDKS-UHFFFAOYSA-N 295.835 3.742 30 20 CHED CC(C)Oc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 173930642 JOHAZXZSGLGZOV-AWEZNQCLSA-N 295.386 3.591 30 20 CHED N#Cc1c(NC(=O)CCC2CCC2)sc2c1CCC2 175263022 MKJMVCNWXTZDLH-UHFFFAOYSA-N 274.389 3.627 30 20 CHED C=CCCCC(=O)N[C@H](C)Cc1nc2ccccc2s1 175467617 WCWBLEXTPAGNEP-GFCCVEGCSA-N 288.416 3.700 30 20 CHED C=C(C)CSCC(=O)Nc1sc(C)c(C)c1C 177866405 NBRPTLOJMPPHPR-UHFFFAOYSA-N 269.435 3.921 30 20 CHED C=CCCCC(=O)Nc1n[nH]c2c(Cl)cccc12 178592018 OUXBZBHRVOJDCY-UHFFFAOYSA-N 263.728 3.511 30 20 CHED CN(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCC1 178794263 XAJQHWMKINBEQV-INIZCTEOSA-N 285.391 3.615 30 20 CHED O=C(/C=C/c1cccnc1Cl)c1ccc(Cl)nc1 179410505 MGKJNUIDAJWCKA-HWKANZROSA-N 279.126 3.680 30 20 CHED N#Cc1ccccc1/C=C/C(=O)Nc1cc(Cl)ccc1O 179458623 FKQALEKQRMGZTH-VMPITWQZSA-N 298.729 3.569 30 20 CHED Cc1ccc(CCCN(CCC#N)CC2CC2)cc1 181943255 HYGDYJZEVDVNQN-UHFFFAOYSA-N 256.393 3.553 30 20 CHED N#CCN(Cc1ncc(Cl)cc1Cl)C1CCCC1 182329569 UNDHTPMQALDMOH-UHFFFAOYSA-N 284.190 3.657 30 20 CHED C=CCCC(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 182511872 DZOMHKIETSTCSU-UHFFFAOYSA-N 289.766 3.739 30 20 CHED C[C@H](C#N)CNCc1cc(C(F)(F)F)ccc1Cl 183832704 JUUWKFSAKVTRDR-MRVPVSSYSA-N 276.689 3.608 30 20 CHED CC[C@@H](CC#N)NC(=O)C[C@@H](c1ccccc1)C(C)C 183863065 BQVMDCMPRRHDDC-JKSUJKDBSA-N 272.392 3.625 30 20 CHED CC#CCCCC(=O)Nc1ccccc1-n1nc(C)cc1C 185289704 WWIMSFYFTYCGOK-UHFFFAOYSA-N 295.386 3.621 30 20 CHED C[C@H]1CCC[C@H]1CC(=O)N(CCC#N)CC(C)(C)C 185940745 GAUINQXEEFUIOJ-KBPBESRZSA-N 264.413 3.601 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CCCO[C@@H]1CC(C)C 186338143 GJRYMCUQQZSSSZ-QZTJIDSGSA-N 286.419 3.550 30 20 CHED O=C1/C(=C\c2ccc(F)nc2)CSc2c(F)cccc21 186397973 XXOLKBCGNSAMSI-POHAHGRESA-N 289.306 3.732 30 20 CHED C=CC[C@@H](C(=O)NC[C@@H](OC)C(C)(C)C)c1ccccc1 188365294 HTBDUDNPTDFHJZ-HZPDHXFCSA-N 289.419 3.524 30 20 CHED C=C[C@@H](CC(=O)N1CCSCC[C@H]1C)c1ccccc1 190082867 FISHCQXVJNSNPD-CABCVRRESA-N 289.444 3.700 30 20 CHED Cc1cccc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)c1C 191302909 XVTNVJJYLITDIR-MDZDMXLPSA-N 283.375 3.546 30 20 CHED C=C[C@H](CC(=O)N1CCSC[C@@H](C)C1)c1ccccc1 191330781 RBOIXSIAYRZXIT-LSDHHAIUSA-N 289.444 3.558 30 20 CHED C=CCN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 192607796 IQOHUIKLPOOBRN-XYPWUTKMSA-N 297.398 3.601 30 20 CHED C[C@@H](CCN(CCC#N)CC1CC1)c1ccccc1 193880823 PIMJLGNTFNUVMM-HNNXBMFYSA-N 256.393 3.806 30 20 CHED CCOCc1ccccc1CN[C@H](C)c1cccc(C#N)c1 193892486 RXIUNFGUZQGXPS-OAHLLOKOSA-N 294.398 3.946 30 20 CHED Cc1cc(O[C@H](C)C(=O)OCCCC#N)ccc1C(C)C 194074492 FTJVQXNEXPLUEN-CQSZACIVSA-N 289.375 3.733 30 20 CHED COc1cccc(/C=C\C(=O)c2ccc(C)s2)c1OC 211708617 LMCSUBLETBAIIN-HJWRWDBZSA-N 288.368 3.970 30 20 CHED CCSc1ccc(-c2noc(-c3ccc(C#N)[nH]3)n2)cc1 233837091 FOGAFYJEQCAUEB-UHFFFAOYSA-N 296.355 3.715 30 20 CHED C#CCCOc1ccc(CNc2ccc(F)cc2OC)cc1 237186890 LXLNNXSHIVBTDK-UHFFFAOYSA-N 299.345 3.849 30 20 CHED N#Cc1ccc(/C=C2\CCc3ccccc3C2=O)s1 255270476 VPFGEVLOJOQNAL-FMIVXFBMSA-N 265.337 3.832 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1ccc(Cl)cc1 255480208 HFOWUCJZLGTTPI-TWGQIWQCSA-N 274.751 3.532 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N(Cc1ccco1)C(C)C 264042684 GSOLAZOAZXJVSA-UHFFFAOYSA-N 297.358 3.902 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)c2cccc(CC#N)c2)CC1 265193421 CODAOICGBOPARU-MRXNPFEDSA-N 284.403 3.651 30 20 CHED Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)s1 269586782 BSXNKVTUVNEITB-UHFFFAOYSA-N 268.385 3.707 30 20 CHED CC(=O)c1ccc(C#N)c(NCCC[C@@H]2CCCCO2)c1 273713394 FQIARXFMIURDHR-INIZCTEOSA-N 286.375 3.522 30 20 CHED C#Cc1cccc(NCc2c(C)nn(C(C)(C)C)c2C)c1 274329660 VSHHZTRWHGBOFW-UHFFFAOYSA-N 281.403 3.848 30 20 CHED C=CCCN(C)[C@H](C)c1ncc(-c2ccccc2)o1 276515705 YBVDSAMOQSFJNL-CYBMUJFWSA-N 256.349 3.911 30 20 CHED CC1(C)CCCN(C(=O)c2cc(Cl)ccc2F)[C@H]1C#N 277984357 QVLHXPQZRAWRTD-ZDUSSCGKSA-N 294.757 3.633 30 20 CHED Cc1cc(-c2ncccc2NC(=O)CC(C)(C)C#N)cs1 278688816 DWCMXLWVYNSQIK-UHFFFAOYSA-N 299.399 3.997 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C)c(C)c1O 280793605 JUQKWIVRKINVII-VKJFTORMSA-N 289.419 3.641 30 20 CHED C=CCCCC(=O)Nc1onc(C(F)(F)F)c1CC 287787907 IJQJTODWDGIKMN-UHFFFAOYSA-N 276.258 3.551 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1scnc1C 289449017 UQPCIQBHSGYLJP-UHFFFAOYSA-N 258.346 3.519 30 20 CHED CNc1ccc(C#N)cc1NC(=O)CCc1ccc(C)s1 291024623 XYNPXYGJNCOXHX-UHFFFAOYSA-N 299.399 3.541 30 20 CHED C[C@H]1Sc2ccccc2N(C(=O)CCCC#N)[C@@H]1C 291263760 BYXFKJYURQHNEA-VXGBXAGGSA-N 274.389 3.596 30 20 CHED Cc1cc(Br)cc(C)c1NC(=O)CCCC#N 291379372 BQTMADXIXLHLFI-UHFFFAOYSA-N 295.180 3.698 30 20 CHED C=CCC(C)(C)C(=O)N(C)CCCc1nc2ccccc2[nH]1 293475370 XTMHGSGQORNCOB-UHFFFAOYSA-N 299.418 3.556 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc(C#N)ccc1Cl 293686227 BPNVPKYQQITVSW-UHFFFAOYSA-N 276.767 3.544 30 20 CHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 295208903 UJTMPGABWZFENM-DZGCQCFKSA-N 275.367 3.790 30 20 CHED CCC1(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCCC1 296449365 LMFMRZGYLZRRLZ-ZDUSSCGKSA-N 285.391 3.641 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(Br)cc1C 297971081 XJXLBJHGLUQTGB-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C=CCCCCCCNC1CCN(c2ccncc2)CC1 298095835 NCAPDTGTPGIYPQ-UHFFFAOYSA-N 287.451 3.777 30 20 CHED N#Cc1cc(Cl)ccc1N1CC[C@H](Nc2ccccc2)C1 301257516 UHLKILHQOIPNID-INIZCTEOSA-N 297.789 3.902 30 20 CHED N#Cc1ccc(N2CCC(Cc3cccc(F)c3)CC2)cn1 301543116 VYMAIABGZVOYLH-UHFFFAOYSA-N 295.361 3.551 30 20 CHED CN(c1ccc(C#N)nn1)C1c2ccccc2-c2ccccc21 302007636 UVQWSRPHFWTCIU-UHFFFAOYSA-N 298.349 3.554 30 20 CHED Cc1ccccc1C[C@@H](C)Nc1nc2ccccn2c1C#N 302104191 RDYAIEGPGMLGLF-CQSZACIVSA-N 290.370 3.558 30 20 CHED C=CCCC[C@H](C)Nc1ccc2nnc(C(C)(C)C)n2n1 302495240 UDXYKQPULBCMDY-LBPRGKRZSA-N 287.411 3.579 30 20 CHED CCCCCCCC(=O)Nc1cc(F)c(C(=O)O)c(F)c1 313304493 YDCLKDDONLODOG-UHFFFAOYSA-N 299.317 3.962 30 20 CHED C[C@H](CCc1ccco1)Nc1cccc(CC#N)c1 313447646 MLYBNOVYQWEEJR-CYBMUJFWSA-N 254.333 3.779 30 20 CHED C=C(CC)CNC1[C@H]2CC[C@H]1Cc1ccccc1C2 313493078 DRGZJPJSKRPURR-IRXDYDNUSA-N 255.405 3.736 30 20 CHED C[C@@H](C#N)OCCNc1ccccc1Oc1ccccc1 314155796 GKZUQSDRZDILAU-AWEZNQCLSA-N 282.343 3.819 30 20 CHED C[C@@H]1CCC[C@H]1/N=C(/O)CCc1nc2ccccc2o1 328823583 PMEHWDSBEBPZBJ-VXGBXAGGSA-N 272.348 3.906 30 20 CHED C[C@@H]1C[C@H](/C(O)=N/CCOC2CCCCCC2)CCC1=O 328939331 HBZMAXIHTZIDGV-ZIAGYGMSSA-N 295.423 3.688 30 20 CHED CCc1nnsc1/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 329019623 LLIQZMDQPXYQAT-QJPTWQEYSA-N 293.436 3.764 30 20 CHED CCn1c(N=C(O)C2CCC(=O)CC2)nc2cc(C)ccc21 329219801 STKKKERQBREOCQ-UHFFFAOYSA-N 299.374 3.712 30 20 CHED C[C@@H]1CCC[C@H](/N=C(/O)[C@@H]2CCC(=O)c3cccn32)[C@@H]1C 329874638 FVRVQEFSNYHPGK-CXTNEJHOSA-N 288.391 3.787 30 20 CHED Cc1csc([C@H](/N=C(/O)[C@@H]2CCCOCC2)C2CC2)n1 329878025 KCUAJYZRCAWNFH-CHWSQXEVSA-N 294.420 3.676 30 20 CHED Cc1noc([C@@H](C)/N=C(/O)Nc2ccc(C(C)C)cc2)n1 330421099 FXNRLJUAYHTJJZ-SNVBAGLBSA-N 288.351 3.589 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 332196273 WEOSIYXAWSHBSJ-JHJVBQTASA-N 288.416 3.708 30 20 CHED C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cscn1 334923896 WSPQBXCJEMZDRJ-IAQYHMDHSA-N 283.400 3.743 30 20 CHED N#CCCCC(=O)N1CCCC2(CCCCCC2)C1 336035760 HZLRCJULJWYAIU-UHFFFAOYSA-N 262.397 3.643 30 20 CHED C=CCCOCCN[C@@H]1C[C@@H](C)Sc2sccc21 336788163 OIONLBSQKNPCCB-DGCLKSJQSA-N 283.462 3.856 30 20 CHED C=CC1CCN(C(=O)c2cccc(C3CCC3)c2)CC1 336988456 IZVQZZWOYLRKPS-UHFFFAOYSA-N 269.388 3.992 30 20 CHED COC1(CCNc2cc(C#N)ccc2C(F)(F)F)CCC1 338730879 FVAQTZXDJUIQGB-UHFFFAOYSA-N 298.308 3.948 30 20 CHED CC1(C)CCC([S@@](=O)Cc2ccccc2C#N)CC1 339149692 LFHMAQNVGAELIM-IBGZPJMESA-N 275.417 3.776 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)c1ccccn1 339266339 YKJUVWDXWVAVBW-AWEZNQCLSA-N 298.361 3.539 30 20 CHED N#CCN1CCCC[C@@H]1c1ccccc1C(F)(F)F 340186152 RFZIACYLCILVIN-CYBMUJFWSA-N 268.282 3.756 30 20 CHED N#Cc1cc(NCCCSc2ccc(F)cc2)ccn1 341169325 NQNNTCAVRUKPSV-UHFFFAOYSA-N 287.363 3.687 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C[C@@H]1C[C@H]1c1ccccc1 341427709 XUMOSNHTPCKUMW-BBRMVZONSA-N 294.329 3.830 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cnc([C@H](C)OCC)s1 343246323 HPEVXPNMMZDKPE-RYUDHWBXSA-N 296.436 3.715 30 20 CHED CCOc1cccc([C@H](C)Nc2nccc(C)c2C#N)c1 343521764 FMTYDCNHWCZNEU-ZDUSSCGKSA-N 281.359 3.834 30 20 CHED Cc1nc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cs1 344099408 KLYKHAHDRNHPME-GHMZBOCLSA-N 271.389 3.735 30 20 CHED C[C@@H](CC(=O)NCC(C)(C)CCC#N)c1ccccc1F 345914232 TUINKVOHUQTUMN-ZDUSSCGKSA-N 290.382 3.765 30 20 CHED Cc1oc(C#N)cc1-c1nc([C@H]2CCc3ccccc32)no1 346526403 DYYBHYYSFRAIBQ-AWEZNQCLSA-N 291.310 3.588 30 20 CHED CC(C)(C#N)CC(=O)N1CCCCc2c(Cl)cccc21 346532921 GNDJLVOPCGKFIJ-UHFFFAOYSA-N 290.794 3.949 30 20 CHED COc1cccc(C)c1NCCCC1(C#N)CCOCC1 347857241 WOOJIDJMDKHMAZ-UHFFFAOYSA-N 288.391 3.516 30 20 CHED N#CCC[C@H](NCc1ncc(Cl)s1)c1ccccc1 349647902 WQIYPOSSICWCED-LBPRGKRZSA-N 291.807 3.931 30 20 CHED C=CCCCCNC(=O)Nc1ccc(C(F)(F)F)nc1 352880552 AXUUSFGOMKJOLZ-UHFFFAOYSA-N 287.285 3.578 30 20 CHED C[C@@H](C#N)CN(Cc1cccc(-c2ccncc2)c1)C1CC1 354045090 PREKXBDNVDBZRY-HNNXBMFYSA-N 291.398 3.873 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 354761874 KYGFFVQAEVVEOB-JMSVASOKSA-N 271.364 3.504 30 20 CHED C=CCCC1(C(=O)NC2CCN(c3ccccc3)CC2)CC1 354985055 XUZYSVWZBGZLJH-UHFFFAOYSA-N 298.430 3.518 30 20 CHED CCCOc1cc(C)ccc1CNc1cccnc1C#N 357522458 ACZGUWFJAJSWAL-UHFFFAOYSA-N 281.359 3.663 30 20 CHED CCC1(C(=O)Nc2ccc(C#N)c(C#N)c2)CCCCC1 359323968 JTSJDHVYUMCGCK-UHFFFAOYSA-N 281.359 3.729 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)NCC(C)(C)CCC#N 359755323 FLVWOPSYOPMEEG-UHFFFAOYSA-N 283.375 3.536 30 20 CHED CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H](C)C(C)C 361636126 HFVYNPGAXUACHG-RDJZCZTQSA-N 286.419 3.967 30 20 CHED CCCc1nc(C)c(NC(=O)c2cccc(CC#N)c2)s1 362530349 AKAMWJHZVKZTFO-UHFFFAOYSA-N 299.399 3.722 30 20 CHED C=C[C@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1F 362679440 JSWKBHAROZVLBU-ZETCQYMHSA-N 276.233 3.541 30 20 CHED Cc1cc(CN(C2CC2)[C@@H](C)C2CC2)ccc1C#N 362924156 NLTQMQOWWUACMO-ZDUSSCGKSA-N 254.377 3.630 30 20 CHED CCCCCCCCC(=O)N1CCC2(CCO2)CC1 367113157 KMHREAOVTJJLKV-UHFFFAOYSA-N 267.413 3.519 30 20 CHED N#Cc1cccc(OCCOc2ccc(Cl)cc2F)c1 383252925 XGFQJIKMMKKZMQ-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C=CC[C@H](CC)NCc1cc(Cl)c2c(c1)OCCO2 393767059 CJCVZGOJSVRQEO-LBPRGKRZSA-N 281.783 3.556 30 20 CHED CC[C@H](CNCc1cccc(C#N)c1)CC(F)(F)F 402638710 NNRPWPHTKBNTJU-NSHDSACASA-N 270.298 3.626 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)C/C=C\c1ccc(C)cc1 410826751 JBAOIRQUVCTOEM-WRLNGNIRSA-N 270.376 3.549 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)c1ccc(C(C)(F)F)cc1 410836113 PYOQGOQOUDFGOB-ZDUSSCGKSA-N 280.318 3.563 30 20 CHED C[C@H]1CCC(C)(C)N1C(=O)C[C@H](CC#N)c1ccccc1 411084745 JOAHHIZPPZWYAL-HOCLYGCPSA-N 284.403 3.863 30 20 CHED N#Cc1cnc(N[C@H]2CCCc3sccc32)c(F)c1 413224186 DILAMKFXHHNRMZ-LBPRGKRZSA-N 273.336 3.643 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC2)C1 413824528 CXRCGTUBEGBSQM-MSOLQXFVSA-N 298.430 3.615 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1cnn(Cc2ccccc2)c1 414167100 OOKPOWNTZMTDGJ-HNNXBMFYSA-N 296.418 3.522 30 20 CHED C=CC[C@H](Cc1ccccc1)NCc1csc(CC)n1 414530304 DQEGMCVPYVGPJG-OAHLLOKOSA-N 286.444 3.983 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OCC)cc1F 417458952 GJCRTNSUCBXRTQ-GFCCVEGCSA-N 292.354 3.797 30 20 CHED C=CCC[C@@H](CCC)NC1CCC(N(C)C)CC1 421377588 TXKKGMDTWNPURW-QQFBHYJXSA-N 252.446 3.584 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)NCc1ccc(C#N)s1 421602242 RPEHMYRRFGZCGE-CYBMUJFWSA-N 298.411 3.738 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 424765676 OPALPOYOUAIBBC-WFASDCNBSA-N 293.382 3.620 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 424837711 PMOVLHQCCZRORO-GXFFZTMASA-N 297.320 3.678 30 20 CHED C=CCC1(C(=O)NC[C@]2(C)C[C@H]3CC[C@H]2O3)CCCCC1 424920012 YIMNBXOOZCCZET-INMHGKMJSA-N 291.435 3.587 30 20 CHED Clc1cccc(C#CCN2CC[C@@H]3CCC[C@@H]32)c1 426478281 AMNPFTMKNKPSCC-HOCLYGCPSA-N 259.780 3.566 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1CC1(C)C)c1ccccc1 426836497 LMFYIHVQBALONK-GJZGRUSLSA-N 257.377 3.509 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(N2CCCCC2)cn1 432421463 PIXYSFBFGPVVIJ-UHFFFAOYSA-N 287.407 3.613 30 20 CHED C=C[C@@](C)(CC)C(=O)NCc1ccc(NCCC)cc1 434511159 BTFJWDKBSBCQBD-KRWDZBQOSA-N 274.408 3.727 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CC[C@H](CC)O1)c1ccccc1 435282153 UIRHYMNUILOZMH-YESZJQIVSA-N 287.403 3.768 30 20 CHED C=CCOc1ccc(CN[C@@H]2CC[C@H](C)C2)cc1OC 436404580 CCKXBEZPZPJBEP-DZGCQCFKSA-N 275.392 3.538 30 20 CHED C=CC[C@@H](C(=O)NCc1cc(CC)ccn1)c1ccccc1 437736701 MXEKXYVGYVIZTD-GOSISDBHSA-N 294.398 3.620 30 20 CHED C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCC#N 441064764 JGIPDDORMCRILI-OXQOHEQNSA-N 290.410 3.979 30 20 CHED CC[C@H]1CN(Cc2ccc(C#N)cc2)c2ccccc2O1 441367210 PZXHNOYVIUEFLX-INIZCTEOSA-N 278.355 3.736 30 20 CHED Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OCC2CC2)c1 442781110 LYORQDVKQBCPCA-NVXWUHKLSA-N 284.403 3.566 30 20 CHED CC(C)CCOc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 442784467 PPZZQCOSLQUVPA-WBVHZDCISA-N 286.419 3.893 30 20 CHED C[C@@H]1CCCC[C@H]1N(C)CC#Cc1ccc(F)cc1 444656363 FAMJIAZDKPQFRO-RHSMWYFYSA-N 259.368 3.688 30 20 CHED C[C@H](NCCCCC(C)(C)C#N)c1nc(C(C)(C)C)no1 444686210 CANQLKNTYZHMGA-LBPRGKRZSA-N 292.427 3.738 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2ccc(OC3CCCC3)nc2)C1 446814185 JPZNYMQGLBJKNF-KGLIPLIRSA-N 285.391 3.897 30 20 CHED N#Cc1ccn(Cc2cccc(Cl)c2Cl)c1 447789270 YSAVSMALKJAYPQ-UHFFFAOYSA-N 251.116 3.715 30 20 CHED C[C@H](CNC1CCC(C)(C#N)CC1)Oc1ccc(F)cc1 449180170 YRKNYNGUBOLTCJ-BZOOQXSSSA-N 290.382 3.655 30 20 CHED C=CC(C)(C)CNC/C=C/c1ccc(F)c(F)c1 449484678 IWANFEMFZDYDBU-AATRIKPKSA-N 251.320 3.780 30 20 CHED CC(C)[C@H]1[C@H](C(C)C)CN1CC(C)(C)CCC#N 449559878 ZOYRDWHKPBNNNM-GJZGRUSLSA-N 250.430 3.929 30 20 CHED C=CCC[C@@H](CO)N[C@H]1CC=C(c2ccc(F)cc2)CC1 449698398 NILJJKNBFGCROQ-ROUUACIJSA-N 289.394 3.678 30 20 CHED C=CCC1(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CCCC1 450141466 SQCOGHWVBNQYHR-GVDBMIGSSA-N 281.399 3.577 30 20 CHED CC1(C)CN(CC2(C#N)CCC2)C[C@H]1c1ccccc1 450591345 XBGGBQBEFUVVJE-INIZCTEOSA-N 268.404 3.806 30 20 CHED C=C(C)CN1CCCC[C@@H]1c1nc2ccccc2[nH]1 451879517 RLHZUTHTQOHLRJ-OAHLLOKOSA-N 255.365 3.666 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCOC3(CCC3)C2)CCCC1 452759165 QAJOXHNZEUGBPH-OAHLLOKOSA-N 291.435 3.588 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)c1ccc(F)cc1 452774144 CSJCGENRMMDIKY-LBPRGKRZSA-N 263.356 3.648 30 20 CHED C=CC(C)(C)CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 452775243 NRECFLDKNQVTTO-QWRGUYRKSA-N 295.785 3.911 30 20 CHED C=C(CC)CNC(=O)Nc1ccccc1CC(F)(F)F 454879209 QXOANDWHSRIPGP-UHFFFAOYSA-N 286.297 3.879 30 20 CHED C=CC(C)(C)CNC(=O)Nc1c(F)cc(Cl)cc1F 455065047 PFUMILWOBXGFCT-UHFFFAOYSA-N 288.725 3.952 30 20 CHED C=C(C)CN(C)C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 455213386 QRQPLORESGJNHD-IRXDYDNUSA-N 286.419 3.788 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](c1ccccc1)C(F)F 455636328 CHCXUHNVNXBXAQ-STQMWFEESA-N 282.334 3.647 30 20 CHED C=C(CC)CNC(=O)[C@@H](C)c1cccc(Br)c1 456811812 KPKYHAZNIJELHZ-NSHDSACASA-N 296.208 3.635 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H](C)c2c(C)noc2C)c1 456974642 XSQGGKIESNDPKW-LLVKDONJSA-N 297.358 3.604 30 20 CHED C[C@@H](CCc1c(F)cccc1F)NCC(C)(C)CC#N 459725617 DHNWDTNKKZRTIP-LBPRGKRZSA-N 280.362 3.815 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N[C@](C)(C#N)C(C)(C)C 464160080 VMOHZTRSPBCJQV-BLLLJJGKSA-N 266.429 3.893 30 20 CHED C=C[C@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 465115776 ZCTMULYKXHIXOH-AWEZNQCLSA-N 289.419 3.834 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C)c(F)c1 466321176 UDYWFSHVTDXCAS-LLVKDONJSA-N 250.317 3.610 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)CCC2 466398898 KMUPKXCMOQTWOA-CQSZACIVSA-N 258.365 3.652 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 467980053 BMCYFVOUYNWVCN-LJQANCHMSA-N 294.398 3.776 30 20 CHED Cc1ccc(CC[C@@H](C)NCc2cccc(C#N)c2)cc1 468363414 UDRIEHMJPCCYKW-MRXNPFEDSA-N 278.399 3.978 30 20 CHED C=CCOCCCN1CCC[C@H](Cc2ccccc2)C1 470763927 DTZYYLPCKWUYLI-GOSISDBHSA-N 273.420 3.534 30 20 CHED C=CCCCCNCc1ccc(OCC(F)F)cc1 472045706 VTUVZUBZCUTARW-UHFFFAOYSA-N 269.335 3.776 30 20 CHED C=CCC[C@@H](O)CN(C)Cc1cccc(Cl)c1Cl 472744478 CATLAAMKRHXEFC-GFCCVEGCSA-N 288.218 3.752 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@](C)(CCC)C1 473891470 UFXNFPOONXXCRV-SJORKVTESA-N 281.440 3.644 30 20 CHED CC1(COc2ccc(Oc3ccc(C#N)cc3)cc2)COC1 480334620 KOIVDKGVVHSDIZ-UHFFFAOYSA-N 295.338 3.766 30 20 CHED COC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCCCC1 480717488 SULXHYHMJMGUCM-CYBMUJFWSA-N 290.382 3.697 30 20 CHED Cc1ccc([C@H]2C[C@@H](C)N(c3ccc(C#N)cn3)C2)cc1 486481150 SFTFBCFUNSECJV-PBHICJAKSA-N 277.371 3.644 30 20 CHED C=CCCCCCN[C@H](CCC)c1nnc2ccccn12 488305889 YXGONWPKSSDUTK-OAHLLOKOSA-N 286.423 3.907 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1sc(CCC)nc1C 488623006 LXVPHMQXQVZSAJ-LBPRGKRZSA-N 293.436 3.976 30 20 CHED C=CCn1cccc1C(=O)NCc1cc2ccccc2s1 489676961 HEPBRPDZBARRQN-UHFFFAOYSA-N 296.395 3.819 30 20 CHED C=CCCCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 496233280 BRPBNACZXMQEMD-CQSZACIVSA-N 288.391 3.602 30 20 CHED CCc1ccc([C@H](C)C(=O)N[C@H](C#N)C2CCCCC2)cc1 506536729 AFZUQHZKEIGVSW-KBXCAEBGSA-N 298.430 3.941 30 20 CHED C=CCn1c(-c2ccc(C)s2)nnc1N(C)CC(=C)C 508918377 FHXFHJPBRZAOSQ-UHFFFAOYSA-N 288.420 3.513 30 20 CHED C=CCNc1cc(-c2ccc(OC)nc2)ccc1C 509501110 ORFQPJIKMPIDNS-UHFFFAOYSA-N 254.333 3.664 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Oc1cc(F)ccc1Cl 509794246 KZACFJSYXREMCR-NSHDSACASA-N 299.773 3.671 30 20 CHED C=C(C)CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 510799888 UWTNJYMWQHQZQJ-HUUCEWRRSA-N 283.774 3.865 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@@H](OC(C)C)c1ccccc1 512097668 FRJAISWSTCGAGI-CVEARBPZSA-N 275.392 3.624 30 20 CHED C=C(C)CN(C/C=C/c1ccccc1)Cc1ccc(CO)o1 512213508 OTNUJFASWBHHAK-RMKNXTFCSA-N 297.398 3.863 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1Cl)C(C)(C)C 513620879 USAHZFXMGLTUPF-NSHDSACASA-N 251.761 3.843 30 20 CHED Cc1ccc2oc(N(C)Cc3ccc(C#N)cc3)nc2c1 513651612 CCVDMBNIIJDBJH-UHFFFAOYSA-N 277.327 3.644 30 20 CHED N#Cc1cccc(NCCCCCOC2CCCCC2)n1 522904262 IBRDQYOEZOCLQU-UHFFFAOYSA-N 287.407 3.885 30 20 CHED CC(C)N(CC#Cc1cccc(Cl)c1)Cc1ccccn1 533000518 DZNCCYKLFVZTRE-UHFFFAOYSA-N 298.817 3.997 30 20 CHED C[C@H](NCCOc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 536868809 IPSZDDVYNPMMSB-CVEARBPZSA-N 294.398 3.719 30 20 CHED C=CCCCN1CCC(CCN(CC)CC2CC2)CC1 537847631 UVCMGKPPQSOZAQ-UHFFFAOYSA-N 278.484 3.787 30 20 CHED C=C(C)COCCN[C@@H]1CCC[C@H]1c1ccc(C)cc1 537962411 XYQNABDWOJWBLM-ZWKOTPCHSA-N 273.420 3.813 30 20 CHED C=CC[C@H](C)[C@H](C)N[C@H]1CCO[C@@H](C(C)(C)C)C1 537964577 VTXIPYRWRVLTGR-ZQDZILKHSA-N 253.430 3.770 30 20 CHED CCC1(CC)CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 542550220 HSATWSPYIGCBIG-UHFFFAOYSA-N 290.794 3.864 30 20 CHED CC#CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 542947215 VXAXYZFNIUUASR-HNNXBMFYSA-N 274.367 3.899 30 20 CHED C[C@H](c1noc(Cc2ccc(C#N)cc2)n1)c1cccs1 547167911 LIOGIRLPNTXOLF-NSHDSACASA-N 295.367 3.745 30 20 CHED C=CCC(C)(C)CNC(=O)[C@@H](CC)Cc1ccccc1 548769821 BBMMRVSKHNGWID-INIZCTEOSA-N 273.420 3.974 30 20 CHED N#CC1(CN2CCc3ccccc3[C@@H]2c2ccccc2)CC1 549958991 JZBBBOYQESUZAR-IBGZPJMESA-N 288.394 3.938 30 20 CHED C=CC1CCN(C(=O)NC(C2CCC2)C2CCC2)CC1 554002088 POEBTZSARCPNGC-UHFFFAOYSA-N 276.424 3.563 30 20 CHED C=CCC(C)(C)C(=O)N1CCC[C@@H](c2ccccc2)C1 554408885 JAGTUMTWHKNYFU-MRXNPFEDSA-N 271.404 3.995 30 20 CHED N#CCN1CCCCC[C@H]1Cc1ccccc1Cl 555612113 RYXFRQONDQYUMO-AWEZNQCLSA-N 262.784 3.651 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 556880277 YGTPYUBSZKZPLR-XJKCOSOUSA-N 264.413 3.647 30 20 CHED C=CC[C@@H](CC)Nc1cc(C(F)(F)F)nc(C)n1 562247113 VAZKCSPPKNZFGS-SECBINFHSA-N 259.275 3.570 30 20 CHED Cc1ccc(C(=O)N(CCC#N)C(C)C)c(F)c1Cl 562298313 GQSBRDFZRBWHPP-UHFFFAOYSA-N 282.746 3.552 30 20 CHED CC[C@@](C)(C#N)c1nc(-c2cc3cc(C)ccc3o2)no1 564370926 PBFLIRKYELQBDU-INIZCTEOSA-N 281.315 3.983 30 20 CHED Cc1cc(CN[C@H]2CCc3ccc(F)cc32)ccc1C#N 565577474 WUPXYMVVRXGZKH-SFHVURJKSA-N 280.346 3.783 30 20 CHED C=CCCCCN1CCn2c(C3CCCC3)nnc2[C@H]1C 569899602 ASIPRZIFXNDORF-CQSZACIVSA-N 288.439 3.669 30 20 CHED N#CC1(CNC(=O)Nc2ccccc2-c2cccs2)CC1 571140290 PFUFNEMEHKDZLY-UHFFFAOYSA-N 297.383 3.840 30 20 CHED C=C(C)CNC(=O)Nc1ccc(-c2ccccc2)c(C)n1 574679880 OLOYLNXTBPJHAW-UHFFFAOYSA-N 281.359 3.755 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CCCC(F)(F)F)cc1 578914324 JGYPMOUZDKJKCA-CYBMUJFWSA-N 298.308 3.662 30 20 CHED Cc1nsc(Oc2ccc(F)c(Cl)c2)c1C#N 580671936 IUJSELIEKWDYRV-UHFFFAOYSA-N 268.700 3.908 30 20 CHED CC(C)O[C@@H](CN(CCC#N)C(C)C)c1ccccc1 589984892 LCWAJEDGOZYYTH-KRWDZBQOSA-N 274.408 3.777 30 20 CHED CCCc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 590662662 GMPQBONNDBXVKA-UHFFFAOYSA-N 282.362 3.940 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)N[C@H](C)c1cccc(C#N)c1 590807941 ZURJIPAUSFOJQR-QWHCGFSZSA-N 287.407 3.743 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H](CC(F)(F)F)C1 591536403 RKNKANKMRITBJV-LBPRGKRZSA-N 290.329 3.651 30 20 CHED C[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1cccc(C#N)c1 593079424 HSRZPPYCKPVANE-UMVBOHGHSA-N 270.376 3.562 30 20 CHED C[C@@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)c1ccc(Cl)cc1 593114795 GDJVWURUZXSCDJ-BZNIZROVSA-N 292.810 3.888 30 20 CHED CC[C@@H](C#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C 593704293 DFIMWEPLHBKOTJ-SWLSCSKDSA-N 292.810 3.746 30 20 CHED CC[C@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 593934640 PIAPGXOIFGGRJM-PBHICJAKSA-N 284.403 3.528 30 20 CHED CC(C)CCC1CCN(Cc2ccc(C#N)cn2)CC1 593962662 WFKDIMKSGMURLA-UHFFFAOYSA-N 271.408 3.601 30 20 CHED CCC(CC)N(CC)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 594029586 GKDHIFVVGNVWOJ-AWEZNQCLSA-N 286.419 3.774 30 20 CHED CC(C)(F)CCNCc1cccc(OCCCC#N)c1 594973142 NZFIGTRJNWWSRW-UHFFFAOYSA-N 278.371 3.597 30 20 CHED C=CCCSCCN[C@H]1CCCc2ccc(O)cc21 595060127 RYOUWVDRIOVLQI-INIZCTEOSA-N 277.433 3.669 30 20 CHED C=CCCN[C@H](CC)CSc1ccccc1[N+](=O)[O-] 595060524 UURCKRFOLJUXAS-GFCCVEGCSA-N 280.393 3.631 30 20 CHED C[C@@H]1[C@H](C(F)(F)F)CCN1[C@@H](C#N)c1ccccc1 595471027 ZBRSLUQDOLBWAO-RTXFEEFZSA-N 268.282 3.524 30 20 CHED CC(C)c1ccc(CNC(=O)N2CCC[C@@H](CC#N)C2)cc1 595471606 CAJFZQXQSZDEDJ-INIZCTEOSA-N 299.418 3.645 30 20 CHED CC(C)(CC#N)CNC(=O)NC1CCC(C2CCC2)CC1 595645366 LUZMBIWSFGNYMI-UHFFFAOYSA-N 291.439 3.584 30 20 CHED CC(C)CC1(NC(=O)N[C@H](CCC#N)c2ccccc2)CC1 596503487 LOFYPVJPHHOTTQ-MRXNPFEDSA-N 299.418 3.909 30 20 CHED CC1(C)CN(CCc2ccc(C#N)cc2)[C@@H]1c1ccncc1 596595395 ZDAVHUADTZIYML-GOSISDBHSA-N 291.398 3.579 30 20 CHED N#Cc1c(F)cccc1-c1ccc(OC[C@@H]2CCCO2)cc1 596638996 HGCACCCBCVZUBG-HNNXBMFYSA-N 297.329 3.922 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)CC1(C#N)CCCCC1 597373132 ZXQYSUZGAVQAEJ-AWEZNQCLSA-N 276.424 3.936 30 20 CHED C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@@H]2CCCC[C@@H]12 597491652 HQEAANCYQNVRBT-OWCLPIDISA-N 288.435 3.888 30 20 CHED N#Cc1ccc(=N[C@@H]2CCCc3ccc(Cl)cc32)[nH]c1 599203856 WVPPKKQWBXRFIO-OAHLLOKOSA-N 283.762 3.518 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)Cc1cnc(C2CC2)o1 600112080 OEYQUKCPGHWUBD-UHFFFAOYSA-N 295.386 3.834 30 20 CHED Cc1cc([C@H](NCc2cccc(C#N)n2)C2CC2)ccc1F 602575723 ISHMFQSGXAFDEG-GOSISDBHSA-N 295.361 3.642 30 20 CHED CC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)(C)C 609240193 SQTCMWWYAKAHFQ-DOMZBBRYSA-N 287.407 3.743 30 20 CHED CC(C)n1cc([C@H](C)Nc2c(F)cc(C#N)cc2F)cn1 609585983 IPABZJIWUDUWEC-JTQLQIEISA-N 290.317 3.787 30 20 CHED Cc1cccc(CN=c2c(C#N)c[nH]c3c(C)cccc23)c1 610245824 WLECFBUSTDCTEE-UHFFFAOYSA-N 287.366 3.757 30 20 CHED CCCN1C(=O)c2ccccc2N[C@H]1c1cc(C#N)cs1 610489417 AGROMAWGAAZBAQ-OAHLLOKOSA-N 297.383 3.596 30 20 CHED CCC1(CC)CCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 610666143 HSUSYYMNYSYJGR-AWEZNQCLSA-N 299.418 3.841 30 20 CHED N#Cc1ccc(NC(=O)[C@H]2CCc3c(Cl)cccc32)cc1 611410348 KCFJIQFPIMHZGE-HNNXBMFYSA-N 296.757 3.880 30 20 CHED C[C@H]1CC[C@H](C(F)(F)F)CN1CCCC(C)(C)C#N 611554286 KFHNYRPTCBXSRS-RYUDHWBXSA-N 276.346 3.979 30 20 CHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1ccnc(C#N)c1 612463195 BTXZNSVWHQMSGD-KBRIMQKVSA-N 271.408 3.504 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CCOc2ccccc2C1 614539370 UMXVYEQQTNLQOD-AWEZNQCLSA-N 278.355 3.514 30 20 CHED C=CCN(C(=O)C[C@H](C)c1ccccc1C)[C@H](C)COC 617579583 HMJQZTHSFNOTTF-JKSUJKDBSA-N 289.419 3.538 30 20 CHED CCc1ccccc1Cc1noc(-c2cccc(C#N)c2)n1 618423143 GNNWZCYBIBTDEO-UHFFFAOYSA-N 289.338 3.761 30 20 CHED C=CCN(C(=O)c1ccccc1OCC1CC1)C(C)(C)C 622943539 GUVIBZUEWGWCQK-UHFFFAOYSA-N 287.403 3.902 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccsc1C 639403889 JEJIUTDLKHUYLF-HNNXBMFYSA-N 284.384 3.809 30 20 CHED C=CCCC(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 650523305 KKFOUVZRAHGQAV-LBPRGKRZSA-N 277.795 3.794 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC1(CC)CCOCC1 657898597 FJXZMVMFJUMRCX-CVEARBPZSA-N 265.441 3.918 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)N(C)CC2 664470741 GOEUYIVXHDWFLL-UHFFFAOYSA-N 287.407 3.545 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C(C)C)on1 666204271 JHNKULMDQIFONN-UHFFFAOYSA-N 265.357 3.664 30 20 CHED C=CCCNC(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 666849004 FATSFRUZBJXJLP-UHFFFAOYSA-N 290.363 3.672 30 20 CHED C=CCC1(NC(=O)Nc2cc3cc[nH]c3cn2)CCCC1 667294545 BNYDXZNIVYZMPH-UHFFFAOYSA-N 284.363 3.573 30 20 CHED C=CCC[C@H](NCCN(C)C1CCCC1)c1ccco1 671746362 UTMQZJVSEYASLV-INIZCTEOSA-N 276.424 3.751 30 20 CHED C=C(CNc1ccnc(N2CCCCC2)n1)c1ccccc1 673461724 PVHZDWHXPWCGHA-UHFFFAOYSA-N 294.402 3.592 30 20 CHED C=CCOc1cccc(CN2CCOc3ccccc3C2)c1 678196405 POSNINJVOSNTIM-UHFFFAOYSA-N 295.382 3.646 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(C2CC2)cc1)OCC 678484094 MPMAQIIVEIRHRC-INIZCTEOSA-N 273.376 3.874 30 20 CHED C=CCN(C(=O)NCC1(c2ccccc2C)CC1)C(C)C 726717000 WBLWSQCZYWHUCJ-UHFFFAOYSA-N 286.419 3.633 30 20 CHED C#CCCCOC(=O)CCOc1ccc(C(C)C)cc1 727038901 CSUNSCZWCTXLMB-UHFFFAOYSA-N 274.360 3.536 30 20 CHED CCC[C@@H]1CCCC[C@@H]1/N=C/c1ccc(O)c(O)c1O 728232949 YVHNQVNBXVFTOM-MCQMGMOMSA-N 277.364 3.581 30 20 CHED CCCCNN=Cc1csc(-c2cccs2)n1 728430046 XPUFAUWYJUXBCA-UHFFFAOYSA-N 265.407 3.595 30 20 CHED C=C(Br)COC(=O)CCCC(C)(C)C 729027500 FZZRKVKGGMBLEQ-UHFFFAOYSA-N 263.175 3.655 30 20 CHED CC(=NNc1cc(F)c(F)cc1F)c1ccc(C)cc1O 734302464 FAQONZXMDZYYHL-UHFFFAOYSA-N 294.276 3.954 30 20 CHED CCO[C@H]1CC(=NNc2cccc(Cl)c2)C1(C)C 736429069 ORKAODPCONPRLV-ZDUSSCGKSA-N 266.772 3.943 30 20 CHED C=CCCN[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C 739915938 UQTUWVJKTCFGFU-RHSMWYFYSA-N 296.455 3.626 30 20 CHED C=C(C)CNC(=S)N[C@@H](CCC)CCc1ccccc1 741500046 WKIVWODBJJWIHH-INIZCTEOSA-N 290.476 3.828 30 20 CHED C=CCN(C(=O)[C@H](C)CCc1cccc(F)c1)C(C)C 742638885 MROFQBXDQKZRMR-CQSZACIVSA-N 277.383 3.817 30 20 CHED Cc1cc(C)c(NN=Cc2scnc2C)c(C)c1 743445162 HAHRZRQQBDZJJA-UHFFFAOYSA-N 259.378 3.823 30 20 CHED CC1CCC(=CC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 743778646 NNUJLWSSGCOKJY-KZUDCZAMSA-N 282.387 3.872 30 20 CHED C/C(=C/C(=O)OCc1ccccc1C#N)C(C)(C)C 744088860 QEEGKDKBUWZECF-XFXZXTDPSA-N 257.333 3.594 30 20 CHED C=C(C)CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 744302856 CMVJCOMHEINCLM-UHFFFAOYSA-N 290.750 3.853 30 20 CHED C=CCN(C(=O)c1cc(Oc2ccccc2)ccn1)C(C)C 744503249 CWKPVJITIWQOOT-UHFFFAOYSA-N 296.370 3.911 30 20 CHED CC#CCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 744946211 LNHVJNJSKPFYMC-GHMZBOCLSA-N 283.154 3.663 30 20 CHED C=CCOc1ccc(OC(=O)c2cc(OC)cs2)cc1 746863687 YYYKTJZOSNMUHD-UHFFFAOYSA-N 290.340 3.541 30 20 CHED Cc1cccc(/C=C2/Cc3ccc(F)cc3C2=O)c1 749006508 XRHNWHFQTQYUHB-ZSOIEALJSA-N 252.288 3.957 30 20 CHED CCCCCCCN[C@](C)(C(N)=O)c1cccc(Cl)c1 750058299 WWWLFWSGWWVPFP-INIZCTEOSA-N 296.842 3.601 30 20 CHED CCCCCCCN[C@@](C)(C(N)=O)c1cccc(Cl)c1 750058300 WWWLFWSGWWVPFP-MRXNPFEDSA-N 296.842 3.601 30 20 CHED CCC1(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)CC1 750742659 QASWNBQSWKXFEU-SNVBAGLBSA-N 262.378 3.633 30 20 CHED COc1ccc(NN=Cc2cc3cccc(OC)c3o2)cc1 750925075 PPGBGVSKCUQLMT-UHFFFAOYSA-N 296.326 3.896 30 20 CHED CC(C)=C(C)C(=O)N(CCC#N)c1ccc(C)cc1 751362327 CNDCFGHXZOMXFR-UHFFFAOYSA-N 256.349 3.598 30 20 CHED C[C@H](CC(=O)OCC1(CC#N)CC1)c1ccc(F)cc1F 752509796 VMTCQALMCSBYLH-LLVKDONJSA-N 293.313 3.695 30 20 CHED C#CCOc1ccc(NC(=O)c2cccc(C)c2Cl)cc1 754839057 UCKDIGARRLEGOY-UHFFFAOYSA-N 299.757 3.913 30 20 CHED CCCCCCCCNC(=O)N(C)CCC1CCOCC1 754865391 NLSLXCBEIODXME-UHFFFAOYSA-N 298.471 3.805 30 20 CHED Cc1cc(C)cc(OCCN(CCC#N)CC(C)C)c1 755673018 PKOTUTZAZSFQPP-UHFFFAOYSA-N 274.408 3.554 30 20 CHED C#CC[C@H](NC(=O)N1C2CCCC1CCC2)c1ccccc1 757064289 IUBAWNBZLZEMHI-ABHNRTSZSA-N 296.414 3.868 30 20 CHED C#CC[C@@H](NC(=O)CC1=CCCCC1)c1ccccc1 757594221 AMKWJZHDFLWLDK-QGZVFWFLSA-N 267.372 3.758 30 20 CHED C#CCCOc1ccc(-c2nc3ccc(F)cc3n2C)cc1 758467972 ZTOZSBLQLZHYGZ-UHFFFAOYSA-N 294.329 3.782 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1cc(Cl)cs1 758754133 AOGJWPHGAKJZER-UHFFFAOYSA-N 294.734 3.749 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)OCCCC#N)cc1 758857504 ZBGRKCMWSLPGLN-AWEZNQCLSA-N 273.376 3.836 30 20 CHED C=CC[C@H](NC(=O)N1CC2(CCCCC2)C1)c1ccncc1 760994001 LIDNNXDGTJVIDH-INIZCTEOSA-N 299.418 3.675 30 20 CHED O=C1/C(=C\c2cncs2)[C@@H]2CCCc3cccc1c32 763291541 ZAMXKZCTYBTUTH-OBTCNRAFSA-N 267.353 3.843 30 20 CHED Brc1ccsc1C=NNCc1ccccc1 764896099 LIGYPHMEOVMKMN-UHFFFAOYSA-N 295.205 3.634 30 20 CHED Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(C#N)cc1 765011424 MJQNWRRUCHOPHQ-SFHVURJKSA-N 292.382 3.870 30 20 CHED C#CCOc1ccc([C@@H](C)NCC2CCCC2)cc1 765322846 MXQVVFICVDSCJL-CQSZACIVSA-N 257.377 3.539 30 20 CHED C#CCCCCCC(=O)N(C)Cc1cc(C)ccc1F 767018583 ZCDJYRJMQAPCIB-UHFFFAOYSA-N 275.367 3.676 30 20 CHED C#CCC(C)(C)C(=O)N(Cc1ccccc1F)CC(C)C 767067598 XUTKFMDEVZHFNN-UHFFFAOYSA-N 289.394 3.860 30 20 CHED COc1cc(OC(=O)C[C@H]2CCC[C@H](C)C2)ccc1C#N 767154249 OBVMLRYAHPPPPU-STQMWFEESA-N 287.359 3.689 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C1CCC(C)(C)CC1 767159840 LMYBOQVKLKGYQO-UHFFFAOYSA-N 289.341 3.617 30 20 CHED C[C@H]1CCC[C@@H](C=NNc2nc3ccccc3[nH]2)C1 768353390 YFGYXDXTANKBMH-NWDGAFQWSA-N 256.353 3.787 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1ccc(O)c(Cl)c1 768371927 HBLSOXCOGLRYMK-UHFFFAOYSA-N 295.766 3.922 30 20 CHED C[C@H](C(=O)OCCCCC(C)(C)C#N)N1CCCCCC1 768719567 SKWHJSTUTHKHAH-OAHLLOKOSA-N 294.439 3.514 30 20 CHED CC(=NO[C@@H]1CCCCO1)c1csc(C(C)C)n1 768784197 NBYYWIUYSRKHTL-GFCCVEGCSA-N 268.382 3.534 30 20 CHED CCCCCCCC(=O)N1CCC[C@]1(CO)CCC 768975612 QSIUDYKYPWYVNG-INIZCTEOSA-N 269.429 3.501 30 20 CHED Cc1cccc(NN=Cc2cn(C)nc2-c2cccs2)c1 769568092 VMQCLDMKFZXGDW-UHFFFAOYSA-N 296.399 3.903 30 20 CHED COc1ccsc1C(C)=NNc1ccc(C)cc1 769767104 YYWHDHQJIKPKKG-UHFFFAOYSA-N 260.362 3.901 30 20 CHED CCn1nc(C=NNc2ccccc2F)c2ccccc21 769773701 AHVHDXOUUUNVMJ-UHFFFAOYSA-N 282.322 3.641 30 20 CHED C/C(=C/C(=O)Nc1cccc(C#N)c1C)c1ccccc1 770241595 VESXWUJWTSJPFM-QBFSEMIESA-N 276.339 3.909 30 20 CHED CC(C)c1nccnc1NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 773094898 SOXFOWYFPROKLX-MQYQWHSLSA-N 284.407 3.824 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(C)c(OC)c2)cc1 773126576 UWTPWRANMOGWQO-IZZDOVSWSA-N 282.339 3.908 30 20 CHED C=C(CC)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 773427290 FXUMMRYCOVIZIY-BFYDXBDKSA-N 259.393 3.803 30 20 CHED C=C(CC)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 773495196 PXGRUXBXPQVAMH-GJZGRUSLSA-N 296.455 3.578 30 20 CHED C=C(CC)COC(=O)Cc1c[nH]c2ccc(Cl)cc12 773514977 PHDFNAIAWNPXLW-UHFFFAOYSA-N 277.751 3.873 30 20 CHED CCCCCCCC(=O)NCCOc1cncc(Cl)c1 774269330 FFDSCPZPLMMNLC-UHFFFAOYSA-N 298.814 3.591 30 20 CHED COc1ccc([C@H](C)CN(CCC#N)CC(C)C)cc1 775643969 WRPBNTKGWZOKPY-OAHLLOKOSA-N 274.408 3.670 30 20 CHED CCC[C@H](C)CC(=O)O[C@@H](C#N)C1CCCCC1 776382177 AJCBMBSDSBRTSE-JSGCOSHPSA-N 251.370 3.828 30 20 CHED CCn1cc(C(C)=NNc2nc3ccccc3cc2C)cn1 776785459 GJEYBMXFBQLGCD-UHFFFAOYSA-N 293.374 3.596 30 20 CHED Cn1cc(C=NOC2CCCCC2)c(-c2cccs2)n1 777459216 NELKQPIFROCGQG-UHFFFAOYSA-N 289.404 3.832 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccnc(Cl)c1 779461156 WHVGOMWTUVWAEC-UTCJRWHESA-N 288.690 3.539 30 20 CHED C#CCCCCCc1nc(-c2ccc(F)c(C)c2)no1 779743233 QXJBGRBISALWPI-UHFFFAOYSA-N 272.323 3.920 30 20 CHED C#CCCCCCC(=O)Nc1cccc(-c2cnco2)c1 779853757 AHJKARZZBWSOJU-UHFFFAOYSA-N 282.343 3.864 30 20 CHED C#CCCCCCC(=O)N[C@@H](C)Cc1ccc(C)cc1C 779907035 NZEKLZYIUPWOIY-KRWDZBQOSA-N 285.431 3.934 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)OCc2cccc(C#N)c2)C1 780231787 FZJPNEPNMOMIGT-VIKVFOODSA-N 271.360 3.674 30 20 CHED CC(C)(C#N)COC(=O)c1cc2ccc(F)cc2s1 781476698 MPALMAXQECUFNZ-UHFFFAOYSA-N 277.320 3.747 30 20 CHED CC(=O)Nc1ccc(C(C)=NNc2ccccc2F)cc1 781587077 ULJWEHWZFKUUHU-UHFFFAOYSA-N 285.322 3.620 30 20 CHED C=CCCCCCOC(=O)c1ccc(NC(C)=O)cc1 781987845 ONVUQCRPWHJZFJ-UHFFFAOYSA-N 275.348 3.548 30 20 CHED Cc1cc(N2CCC[C@@](C)(C#N)C2)c(Cl)cc1[N+](=O)[O-] 784204309 JBQDXFDFKQYBCN-AWEZNQCLSA-N 293.754 3.687 30 20 CHED C=C(Cl)CN1C[C@H](C)C[C@@H]1c1cccc(OC)c1 784351486 GWYDKCOMXNWCBU-IAQYHMDHSA-N 265.784 3.831 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@H](C)c1cccc(C#N)c1 784873375 JFYNAPNWEIEBMC-WBMJQRKESA-N 257.333 3.765 30 20 CHED CC(=NNC1CCCCC1)c1cnn(-c2ccccc2)c1 786043210 KYTMDCJIHSSJFS-UHFFFAOYSA-N 282.391 3.519 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cc(N2CCNC2=O)ccc1C 786977461 SCVRLVJOPBRLTO-TZMCWYRMSA-N 287.407 3.537 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1cc2ccccc2[nH]1 788440169 FSAJGZZASOHLCK-HNNXBMFYSA-N 255.365 3.670 30 20 CHED C#CC[C@@H](N[C@H](C)c1ccnc(OC)c1)c1ccccc1 788685703 KBKMSDLAYOYQEI-RHSMWYFYSA-N 280.371 3.505 30 20 CHED N#Cc1cc(C(=O)Oc2ccc(Cl)cc2F)ccc1F 790144944 LXXYIEHKLUQEJN-UHFFFAOYSA-N 293.656 3.709 30 20 CHED C[C@@H]1CSCC1=NNc1cccc(Br)c1 794886506 LUBDAKRBMKCLLN-MRVPVSSYSA-N 285.210 3.600 30 20 CHED C[C@H]1CSCC1=NNc1ccc(C#N)c(C(F)(F)F)c1 794905995 MVERKJYLNIPWIU-QMMMGPOBSA-N 299.321 3.728 30 20 CHED Fc1cccnc1NN=Cc1ccccc1OC(F)(F)F 794989722 AXSYQTMYZUARRC-UHFFFAOYSA-N 299.227 3.565 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)o1)c1c(F)cccc1Cl 796949723 BMXOHBHKJBJBTI-QMMMGPOBSA-N 293.681 3.862 30 20 CHED N#Cc1ccc(CNC(=O)/C(F)=C/C2CCCCC2)cc1 798293369 SPBBRMAKEUYKHE-YBEGLDIGSA-N 286.350 3.608 30 20 CHED C=CCn1c(C)nnc1SCCSC1CCCCC1 799872033 KVWPAENLDTVQCN-UHFFFAOYSA-N 297.493 3.931 30 20 CHED C=CC[C@@H](C(=O)OCC1CCC(=O)CC1)c1ccccc1 803448579 UJBPCTXYYLDTNQ-QGZVFWFLSA-N 286.371 3.649 30 20 CHED C[C@H]1CCCC[C@@H]1OCCOC(=O)CCCCCC#N 805696022 SWIUHNKCWDOSBK-GJZGRUSLSA-N 281.396 3.599 30 20 CHED C#Cc1cncc(C(=O)N(CC)[C@H](CC)c2ccccc2)c1 806673360 GEVFYHUMTYDMAE-GOSISDBHSA-N 292.382 3.676 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NNCC2CCCC2)C1 808005798 KDXYDQSDBYJFSO-LLVKDONJSA-N 262.319 3.875 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1c(F)cccc1SCC 810332253 ZQZGAXXJIWRPLW-NSHDSACASA-N 294.395 3.861 30 20 CHED C#Cc1ccccc1CC(=O)Nc1ccc(C)c(OCC)c1 810332676 ZYUPWEXPXGZDGS-UHFFFAOYSA-N 293.366 3.556 30 20 CHED CCC(Cc1ccc(C)cc1)=NNC[C@@H]1CCSC1 811660429 MUKOTOAIGHHMLK-HNNXBMFYSA-N 276.449 3.646 30 20 CHED CC(C)CCn1cccc1C=NOC/C=C/Cl 811670216 ZMZDETZVFBTUPG-PVSDPCLQSA-N 254.761 3.637 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)CCC)c1ccc(Cl)cc1 811949758 LUYFKJINMQATAR-SMDDNHRTSA-N 263.768 3.567 30 20 CHED COc1cccc(O)c1/C=N\CCC1=CCCCC1 812390621 IROYUDHICFQIGV-ATVHPVEESA-N 259.349 3.710 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccc(F)cc1 814693453 QMZKEHRKZOIQKG-ZDUSSCGKSA-N 259.328 3.943 30 20 CHED C[C@@H]1CCC(=NNc2ccc(C(F)(F)F)cn2)C1 814709991 KEBNEYOQSJSKBV-MRVPVSSYSA-N 257.259 3.688 30 20 CHED CC1(C)CC(=NOCC(F)(F)F)c2sccc2O1 814881478 XFMVHIFATDHCJK-UHFFFAOYSA-N 279.283 3.592 30 20 CHED C[C@@H]1C(=NNc2c(F)cccc2Cl)CC[C@H]1CC(=O)O 814905566 ZDWNYDUMAQLPQP-IUCAKERBSA-N 298.745 3.768 30 20 CHED COc1cc(F)ccc1NN=C1CS[C@@H](C(C)C)C1 814916023 OWHBYXCGYTXHNF-CQSZACIVSA-N 282.384 3.764 30 20 CHED CC(Cc1ccc(F)cc1)=NNc1nccnc1C(C)C 814917050 YLTKALVZOVFERL-UHFFFAOYSA-N 286.354 3.770 30 20 CHED CC(=NNc1ccc(F)c(F)c1F)c1ccccc1C#N 814946616 SUJCKHSQOKKBAY-UHFFFAOYSA-N 289.260 3.812 30 20 CHED N#C[C@H](C(=O)C(F)=C1CCCC1)c1cnc2ccccc2n1 816045866 ZJHSQXAIPQLUQM-LBPRGKRZSA-N 295.317 3.604 30 20 CHED C(=NOCc1cccnc1)c1cccc(C2CC2)c1 817325690 FIKTZRJZWKIDEI-UHFFFAOYSA-N 252.317 3.510 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2nc(S)oc2c1 819388123 UBGROOUNAHAMSZ-UHFFFAOYSA-N 276.361 3.657 30 20 CHED CCCCCCCCCN(C)C(=O)/C=C\[C@H]1CCOC1 822696771 DDXISQDHLRFAOL-SNGWPZLWSA-N 281.440 3.788 30 20 CHED C[C@@H](NN=C1CC[C@@H](c2ccccc2)C1)C(F)(F)F 834999511 VGUUXBHATYDVLO-ZYHUDNBSSA-N 270.298 3.851 30 20 CHED C=CC[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 835325346 VDACPSCPWXMEIM-CQSZACIVSA-N 291.347 3.683 30 20 CHED C#C[C@H](NC(=O)Nc1c(C)cc(C)cc1Cl)C(C)C 836212654 WFDPPXDPNOMSDC-ZDUSSCGKSA-N 278.783 3.736 30 20 CHED C#CC(C)(C)NC(=O)[C@@H](C)c1c(Cl)cccc1Cl 839282063 UQTLGVQBFRUWEZ-VIFPVBQESA-N 284.186 3.625 30 20 CHED CCN(Cc1ccc(O[C@H](C)C#N)cc1)Cc1occc1C 840970161 OPPZHMQUSDSZIQ-OAHLLOKOSA-N 298.386 3.901 30 20 CHED Cc1cc(/C=C2/C(=O)c3ccccc3[C@@H]2C(C)C)n(C)n1 841486194 BNSABCKFCYRNGM-KGZWWPETSA-N 280.371 3.748 30 20 CHED FC(F)Oc1ccccc1C=NOCC1CC(F)(F)C1 842016621 PAFFXUUPVCFLDQ-UHFFFAOYSA-N 291.244 3.684 30 20 CHED C=C(C)CONC(=O)c1cccn1[C@H](C)Cc1ccccc1 846535621 HHKVNAWNUKKIAN-OAHLLOKOSA-N 298.386 3.529 30 20 CHED Cc1cccc([C@@H]2CCCN2c2ccc(C#N)cc2C)n1 846755841 SUVUKAVWQQKCLI-SFHVURJKSA-N 277.371 3.912 30 20 CHED C#CCC[C@H](C)OC(=O)c1cc(Cl)nc(C2CC2)c1 847730056 GIXFPXHAVSQPKI-JTQLQIEISA-N 277.751 3.571 30 20 CHED Cc1cccc(CCOC(=O)CCCCCC#N)c1 847741737 XVJMDOPGJDKXAS-UHFFFAOYSA-N 259.349 3.555 30 20 CHED CC(=NNC1CCCCC1)c1ccc(C(F)F)nc1 853336938 SIDHNVYFNOHLOP-UHFFFAOYSA-N 267.323 3.666 30 20 CHED COCCN(C)N=C1CCCC[C@H]1c1ccccc1Cl 853343976 ZYHSZTYDJUZLBP-AWEZNQCLSA-N 294.826 3.932 30 20 CHED CO[C@@H](C#N)c1ccc(-c2cccc3c2OCCCO3)cc1 854200778 NUMUTDWGZNWZRN-KRWDZBQOSA-N 295.338 3.726 30 20 CHED CC(C)C#CC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 854223078 CPVZDRMTLSYRQU-UHFFFAOYSA-N 271.404 3.602 30 20 CHED C#CCCCC(=O)Nc1cc(C)ccc1C(F)(F)F 857659302 GAQDTQGZOQGXGX-UHFFFAOYSA-N 269.266 3.756 30 20 CHED C#C[C@@H](OC(=O)CCc1scnc1C)c1ccc(C)cc1 860963637 ZPJHNOVUXBEWNC-OAHLLOKOSA-N 299.395 3.610 30 20 CHED C=CC(C)(C)CC(=O)N1CC[C@H](c2ccccc2F)C1 878767109 SJPYMDKAJBLVDD-ZDUSSCGKSA-N 275.367 3.744 30 20 CHED CCC(C#N)(CC)C(=O)N(C)Cc1c(C)cccc1C 887956270 GYMBEICXYVMSEU-UHFFFAOYSA-N 272.392 3.592 30 20 CHED CN(C(=O)Nc1cc(C#N)ccc1F)[C@@H]1CCC(C)(C)C1 888367057 UZFKPBATPAMCGF-GFCCVEGCSA-N 289.354 3.740 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1nn(C(C)C)cc1Cl 889560185 UZXYRXBOSPQPRW-UHFFFAOYSA-N 298.818 3.841 30 20 CHED C=CCC1(C(=O)N[C@H](C)Cc2cccnc2)CCCCC1 889671238 DTXFQPJXXYPAHD-OAHLLOKOSA-N 286.419 3.655 30 20 CHED N#Cc1ccnc(CNc2ccc(OC3CCC3)c(F)c2)c1 901393142 WEHUPHMUXYLKMO-UHFFFAOYSA-N 297.333 3.636 30 20 CHED N#CC1(CCCCOc2ccc3c(c2)OCC3=O)CCC1 902765135 NOQZDKFLJQHMDY-UHFFFAOYSA-N 285.343 3.505 30 20 CHED C=C1CCC(c2nc(Cc3ccc(OC)cc3)no2)CC1 904387606 HJYMNDIFJODSOK-UHFFFAOYSA-N 284.359 3.883 30 20 CHED C=CCCC[C@@H](N)c1nc([C@H](C)c2ccccc2C)no1 904632966 FAHCKVOUEGPGFT-UKRRQHHQSA-N 285.391 3.886 30 20 CHED N#Cc1c(F)cccc1SCC1(C#N)CCCC1 917762562 ZWTPBNZPBJXBAZ-UHFFFAOYSA-N 260.337 3.873 30 20 CHED Cc1cc(C=NNc2cccc(F)c2)cc(C)c1O 920384564 XJNVTBZUCYKJMK-UHFFFAOYSA-N 258.296 3.594 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H](c1ccccc1)[C@H]1CCCO1 924844853 CAHVCQXXAGHBGR-DJIMGWMZSA-N 286.419 3.825 30 20 CHED C[C@@H](CC(C)(C)C#N)NCCc1ccc(F)c(F)c1F 926137957 ZCDAOMCBGTYPGP-JTQLQIEISA-N 284.325 3.564 30 20 CHED CSCC[C@@H](C)N(C)CCCCC1(C#N)CCC1 929985792 GOKTUHDSWIAZDG-CQSZACIVSA-N 268.470 3.924 30 20 CHED C=C(C)CCC(=O)N(C)[C@H](C)c1sc(C)nc1C 1120601739 UXZVLUCGUIAPRI-LLVKDONJSA-N 266.410 3.636 30 20 CHED CCC[C@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1 1120791218 ORSAKVRATOFBTD-ZDUSSCGKSA-N 276.767 3.616 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cnc(CCC)s1 1121246710 WSZGWOKSPJVJOL-GFCCVEGCSA-N 278.421 3.666 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1scnc1C1CCCC1 1121252934 JPVVZCSCHFKONQ-LBPRGKRZSA-N 291.420 3.565 30 20 CHED C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(C#N)ccc1F 1126756626 QWSZXLRZFKXXMZ-ABAIWWIYSA-N 288.366 3.642 30 20 CHED CCC[C@H](CC)C(=O)OCc1cc(C#N)ccc1F 1126765609 OQSRUDMECDPUEB-LBPRGKRZSA-N 263.312 3.567 30 20 CHED CC1(C)COc2c(C(=O)O[C@H]3CCC[C@H](C#N)C3)cccc21 1129725610 YNRWCLURVJARDW-STQMWFEESA-N 299.370 3.596 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 1129938113 ZQSPCHWAIYZPFZ-INIZCTEOSA-N 282.318 3.578 30 20 CHED N#CCc1cccc(NC(=O)c2nc3ccccc3s2)c1 1140935559 PBWSWNVTLYBELK-UHFFFAOYSA-N 293.351 3.615 30 20 CHED C=CCCCCNC(=O)N[C@@H](CC)c1ccc(F)cc1 1255078677 HQDHTFKFPMKKER-HNNXBMFYSA-N 278.371 3.932 30 20 CHED Cc1cccc(Cc2noc(-c3cccc(C#N)c3C)n2)c1 1261153873 XKSRRXHDWDYIOB-UHFFFAOYSA-N 289.338 3.816 30 20 CHED N#C[C@@H](NC(=O)c1ccc(C(F)F)cc1F)C1CCCC1 1262108348 NCKHMGRNIDVBEE-CYBMUJFWSA-N 296.292 3.575 30 20 CHED C[C@@H](CC(C)(C)C#N)NC1CCC2(CCOCC2)CC1 1262202284 RCPSTNCUQJJSMU-AWEZNQCLSA-N 278.440 3.644 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 1262810114 YCTFGZOQQRTOBK-QZTJIDSGSA-N 299.414 3.761 30 20 CHED Cc1cc(F)ccc1OC(=O)C1(c2cccc(C#N)c2)CC1 1319580628 PQWDCBBJLSQYHA-UHFFFAOYSA-N 295.313 3.643 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(SC(C)C)cc1 1320119843 FLWKHZOCTQOZOP-UHFFFAOYSA-N 287.428 3.673 30 20 CHED C=CCCCCCNc1cccc(S(=O)(=O)CC)c1 1320879329 PMLMRYKPFPSDSG-UHFFFAOYSA-N 281.421 3.639 30 20 CHED C=C(C)CCNC(=O)N[C@H](C)c1ccc(Cl)c(F)c1 1324583554 NAZBOOQLFRQIIR-SNVBAGLBSA-N 284.762 3.806 30 20 CHED N#Cc1cc(C(=O)N2CCCC[C@H]2c2ccccc2)cs1 1325191256 KLIQFLOLHKTEJE-INIZCTEOSA-N 296.395 3.987 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2ccc(OCC#N)cc2)c1 1329073093 JVGCYQOFTQLBMU-AWEZNQCLSA-N 294.354 3.640 30 20 CHED Cc1nccn1CCCSCc1ccc(C#N)cc1F 1331495418 ALXCRSIASANMMF-UHFFFAOYSA-N 289.379 3.526 30 20 CHED C=C1CC(c2noc(-c3cnc(C4CC4)s3)n2)C1 1332052916 HQBXDSRMBZKUSR-UHFFFAOYSA-N 259.334 3.504 30 20 CHED C#CCCCCCCOC(=O)CC1CC(F)(F)C1 1336205787 WXNBHBXQNSMYGI-UHFFFAOYSA-N 258.308 3.549 30 20 CHED C=CC[C@H](C(=O)Nc1noc2c1CCCC2)c1ccccc1 1339065600 CBOMYSXNQGRBQH-AWEZNQCLSA-N 296.370 3.852 30 20 CHED C[C@H](c1cccc(Cl)c1)N(C)c1cccc(CC#N)n1 1342840839 GWINGHFBBQRTEE-GFCCVEGCSA-N 285.778 3.998 30 20 CHED Cc1ccc(NN=C2C[C@H](C)n3ccnc32)cc1Cl 1344436990 CLQYRZIQMKJAJM-JTQLQIEISA-N 274.755 3.626 30 20 CHED C=C[C@H](CC(=O)N1c2ccncc2C[C@@H]1C)c1ccccc1 1347083392 PTWPLJWFFFMIEM-LSDHHAIUSA-N 292.382 3.719 30 20 CHED Cc1ccc(C#N)cc1C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 1350907814 OHVFIAKHIPPZDE-IUODEOHRSA-N 294.354 3.513 30 20 CHED N#Cc1ccc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 1355396397 TZRWAAYJGIIPRG-HNNXBMFYSA-N 294.398 3.621 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 1358011593 TYMHKOSQHPQPJW-ZBFHGGJFSA-N 257.377 3.747 30 20 CHED Cc1cc2c(NC(=O)C3CCCCCC3)n[nH]c2cc1C#N 1452829396 ZQUBHAWQDCCBRE-UHFFFAOYSA-N 296.374 3.652 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCc2cc(C#N)ccc21 1460303426 NOZULUJBUKMEHU-JKSUJKDBSA-N 296.414 3.910 30 20 CHED CC[C@H]1CO[C@H](CC)CN1Cc1ccc(Cl)cc1C#N 1473618697 UOLUVBPNTRKPAC-JKSUJKDBSA-N 292.810 3.601 30 20 CHED Cc1ccc2c(c1)[C@@H](NC(=O)Nc1sccc1C#N)CC2 1476829144 QVZUMUBWVODRIC-AWEZNQCLSA-N 297.383 3.737 30 20 CHED C[C@@H]1[C@@H](NC(=O)[C@@H](CC#N)c2ccccc2)CCC[C@H]1C 1525767055 SVIMHVJTZILFPS-OHFALNGGSA-N 284.403 3.625 30 20 CHED Cc1cc(C)c(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(C)c1 1535479736 YCHDDHVTXQPGHG-LSDHHAIUSA-N 271.360 3.851 30 20 CHED CC[C@H]1CCC[C@@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 1544187823 UBIMSBYSNMWIAG-NOLJZWGESA-N 271.360 3.989 30 20 CHED CCC1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCCC1 1544584670 BGKSOSNMBPEZFS-UHFFFAOYSA-N 290.794 3.912 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc3sccc3c2)n1 1583799711 KQVMYGJERKZANB-UHFFFAOYSA-N 293.351 3.729 30 20 CHED CCCCCCCn1nc(C(=O)O)c(Cl)c1C 1595708840 IPUJBGDOXGLIKE-UHFFFAOYSA-N 258.749 3.514 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(F)c(C(=O)O)c1C 1602837398 QYHHTPPBGDNTCV-UHFFFAOYSA-N 291.322 3.539 30 20 CHED CSc1ccc(F)cc1CNc1cc(C)c(C#N)cn1 1612027441 CYYSFPVLQCRFNG-UHFFFAOYSA-N 287.363 3.735 30 20 CHED Cc1ccc2c(CCNc3ncc(C#N)cc3F)c[nH]c2c1 1612272811 XTZOIXRASPPCDA-UHFFFAOYSA-N 294.333 3.537 30 20 CHED C[C@H]1[C@H](C)CCC[C@H]1Nc1c(C#N)cccc1C#N 1641982212 ALZZYMVIZPOEIH-TYNCELHUSA-N 253.349 3.667 30 20 CHED N#Cc1ccc(Cn2cnc(-c3ccccc3)c2)s1 1652208122 RIUBRUVZYIMQQP-UHFFFAOYSA-N 265.341 3.532 30 20 CHED CCc1ccc(C(C)(C)CNc2nc(C)cc(C#N)n2)cc1 1655212554 ZWDLLGSBJJRKRY-UHFFFAOYSA-N 294.402 3.609 30 20 CHED N#CCc1cccc(NCc2c(Cl)nc3ccccn23)c1 1657380555 SWFZQKZSHOWNFD-UHFFFAOYSA-N 296.761 3.666 30 20 CHED CCOc1cccc(Cl)c1CN(CCC#N)CC1CC1 1657466679 JXLAWEUKKAPXBG-UHFFFAOYSA-N 292.810 3.864 30 20 CHED CC[C@@H](NC(=O)Nc1scc(C)c1C#N)[C@@H]1CC1(C)C 1669740130 PUFLPLBNLADBMC-NWDGAFQWSA-N 291.420 3.874 30 20 CHED O=C(O)c1cc(NN=Cc2ccc(Cl)cc2)ccc1F 1776061983 YEXXCLTVFZJMDJ-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=C(C)CCC(C)=NNc1ccc(C(=O)O)c(F)c1 1776076668 APTHTGGJKCKUNL-UHFFFAOYSA-N 264.300 3.668 30 20 CHED CC(C[C@@H]1C=CCC1)=NNc1cccc(C(=O)O)c1C 1776089533 XDWFKEBKHRGEHL-CYBMUJFWSA-N 272.348 3.837 30 20 CHED CC(C)(C)c1nocc1/C=C\C(=O)c1cccc(C(=O)O)c1 1776285837 NBGQEMNOWPPHGN-FPLPWBNLSA-N 299.326 3.566 30 20 CHED C=CCc1ccccc1OCC(=O)NC1CCCCCC1 1284693 MPGXWFVNQNTZPE-UHFFFAOYSA-N 287.403 3.633 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1 59269911 CGPYOCSBQFYCDB-BJMVGYQFSA-N 287.309 3.927 30 20 CHED CC[C@@H](C)[C@H](C)Nc1ncc(Br)cc1C#N 309259027 CWTIQBUKKMINGR-BDAKNGLRSA-N 282.185 3.562 30 20 CHED C=CCCC(=O)N(C)c1cc(Cl)cc(Cl)c1 113097138 OBVOMJCPXXQMIX-UHFFFAOYSA-N 258.148 3.922 30 20 CHED C=CCCO[C@H](C)C(=O)N[C@@H](c1ccccc1C)C(C)C 112191064 QPFNJDCXHJBYMV-NVXWUHKLSA-N 289.419 3.790 30 20 CHED CCn1nccc1/C=C1\CCOc2c(C)cc(C)cc2C1=O 178879774 RJUZYPBRZWXULT-SDNWHVSQSA-N 296.370 3.569 30 20 CHED COCc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 114763832 MTKNFEKFKLCWNI-AWEZNQCLSA-N 296.370 3.736 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)cc2)c(F)c1 62658910 OGTLGYRVWMDSKN-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CN(CC(C)(C)CCC#N)[C@H]1CCc2ccccc21 179909562 YEACASWMWHXJJJ-INIZCTEOSA-N 256.393 3.936 30 20 CHED Cc1c(C#N)cccc1NC(=O)C[C@@H](C)c1ccccc1 178375677 GYTOHBJAFDYMJT-CYBMUJFWSA-N 278.355 3.999 30 20 CHED N#Cc1cnc2ccccc2c1N1CCc2ccccc2CC1 301262846 DKIBDJCVXLOHGD-UHFFFAOYSA-N 299.377 3.712 30 20 CHED CCCC[C@H](CC)CC(=O)NCc1cccc(C#N)c1 117128677 YUAJJXIIEFRQON-AWEZNQCLSA-N 272.392 3.781 30 20 CHED C=CCCCC(=O)Nc1cccc2ccc(O)cc12 184067441 NMIWANLLWAANHQ-UHFFFAOYSA-N 255.317 3.840 30 20 CHED C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(C#N)cc1 26117086 DLGZZFGRROHRCN-CYBMUJFWSA-N 290.366 3.538 30 20 CHED C=CCCCC(=O)N[C@@H](CC=C)Cc1ccccc1 412839342 LOYWDGQXYJWDIK-INIZCTEOSA-N 257.377 3.646 30 20 CHED Cc1cc(F)ccc1CCNc1ccc(Cl)c(C#N)n1 301567732 MVTMICSYJAWYII-UHFFFAOYSA-N 289.741 3.709 30 20 CHED C#CCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1 119480002 PBMDWFHRARPNMU-UHFFFAOYSA-N 292.382 3.805 30 20 CHED CCC1(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CCC1 177538728 HGKGLIJHWKUNDO-LBPRGKRZSA-N 257.333 3.743 30 20 CHED N#Cc1ccc(N2CCc3c(F)cc(F)cc3C2)c(F)c1 301716446 NHOVDQMVWFETGU-UHFFFAOYSA-N 288.272 3.538 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 408439855 WBOWEZSPKHRSGO-KOLCDFICSA-N 277.755 3.522 30 20 CHED CCN(C(=O)C1=CCCC1)[C@H](C)c1ccc(C#N)cc1 177834507 OUQKIHLESGRPOY-CYBMUJFWSA-N 268.360 3.578 30 20 CHED CSc1ccc(CNc2ccc(C#N)cc2)cc1 20091265 BDHMMTVJDJHWJX-UHFFFAOYSA-N 254.358 3.892 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)c2cc(Cl)cc(Cl)c2)C1 179947733 CDVRSWAVXRGKGU-PELKAZGASA-N 284.142 3.842 30 20 CHED CC(C)(NCC#Cc1ccc(Cl)cc1)c1nccs1 177190192 ZSBMTMQFKNNXJE-UHFFFAOYSA-N 290.819 3.673 30 20 CHED CCN(CC)c1ccc(CNc2ccc(C#N)nc2)cc1F 301507635 JLBLNJHZJMOZPW-UHFFFAOYSA-N 298.365 3.551 30 20 CHED C#C[C@H](C)NCc1ccc(F)c(-c2cccs2)c1 123066503 MERPIUATUQWHET-NSHDSACASA-N 259.349 3.666 30 20 CHED CCN(CC1CCC1)c1nc(C)c(C#N)cc1Cl 336792819 UHXIGPBQWWAYCI-UHFFFAOYSA-N 263.772 3.542 30 20 CHED C=CCOc1ccc(CNCc2ccc(N(C)C)cc2)cc1 61030426 HJOBXNNYMQEMNS-UHFFFAOYSA-N 296.414 3.607 30 20 CHED Cc1cc(Nc2c(C#N)cccc2C#N)ccc1N(C)C 302845690 NVZYRXYEBATGRM-UHFFFAOYSA-N 276.343 3.548 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N 182076361 SZQZHYZRFDLVAJ-RWMBFGLXSA-N 274.364 3.598 30 20 CHED C=C(C)CN(CC)C(=O)CSc1ccc(OCC)cc1 122568624 SQEREQXTOXXBHV-UHFFFAOYSA-N 293.432 3.602 30 20 CHED CCC1(CC)[C@@H](Nc2ccc(Cl)c(C#N)n2)C[C@H]1OC 301709805 JVKSSEQWKSGJLC-QWHCGFSZSA-N 293.798 3.612 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1 78832001 PLQLWQXZRNKJMI-UHFFFAOYSA-N 277.249 3.584 30 20 CHED C=CCC[C@@H](CC)NC1CCC(O)(c2cccnc2)CC1 186358205 JORGQGZHOHMLJG-WWDZGPRUSA-N 288.435 3.546 30 20 CHED CC[C@@H](CC#N)NC(=O)c1ccccc1SC(C)C 183807137 FWWDEPMJRFOTOS-LBPRGKRZSA-N 276.405 3.609 30 20 CHED C#C[C@@H](C)NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 186081112 BZBOQJZNKOFPPF-HUUCEWRRSA-N 284.403 3.581 30 20 CHED C[C@@H](C#N)CNCc1ccc(-c2ccc(F)cc2)s1 183816029 QVTIBTIUGZLHKN-NSHDSACASA-N 274.364 3.803 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccc2ncccc2c1 182632614 HCCZIHACCZSZEB-ZDUSSCGKSA-N 268.360 3.709 30 20 CHED N#CCCCC[S@@](=O)Cc1ccc(Cl)cc1Cl 78701924 CMYJHUQREBBMRT-KRWDZBQOSA-N 290.215 3.936 30 20 CHED CC(=O)Cc1ccc(OCCCC(C)(C)C#N)cc1 130770751 CVPZQTYKLMKTSM-UHFFFAOYSA-N 259.349 3.527 30 20 CHED N#CCCN(Cc1ccco1)Cc1nc2ccccc2s1 78667633 GSAMLQVJYGVPHB-UHFFFAOYSA-N 297.383 3.805 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@@H]1C[C@@]1(C)c1ccccc1 410722352 AUFMEBRKSQFOJP-LPHOPBHVSA-N 298.430 3.895 30 20 CHED N#Cc1cccc(SCCOCC(F)(F)C(F)F)c1 189062093 BZPFBNDUEFVILH-UHFFFAOYSA-N 293.285 3.567 30 20 CHED CC(Cl)(Cl)C(=O)Nc1ccc(C(C)(C)C#N)cc1 182862950 CKHMWWRXKXCINF-UHFFFAOYSA-N 285.174 3.620 30 20 CHED C#CCCCCN[C@H](C)c1csc(C(C)C)n1 186419356 NQTFFEKXPYHLBM-GFCCVEGCSA-N 250.411 3.721 30 20 CHED C=C[C@](C)(CC)C(=O)N(CC)Cc1c(F)cccc1F 187922196 CAGRGGBXRUXGNZ-MRXNPFEDSA-N 281.346 3.916 30 20 CHED Cc1ncc(CS[C@H](C)c2cccc(C#N)c2)cn1 507083094 UIIQPMKYMOINRW-LLVKDONJSA-N 269.373 3.651 30 20 CHED Cc1onc(-c2ccccc2)c1C(=O)OCC(C)(C)CC#N 184794703 NEMOZJGISVDCLC-UHFFFAOYSA-N 298.342 3.747 30 20 CHED Cc1cc(C)cc(N(C)Cc2ccc(C#N)s2)c1 507849463 CWSVUKCHQXLXKZ-UHFFFAOYSA-N 256.374 3.873 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cccc(-c2ncco2)c1 189015009 WCMUQJZQPMXFCI-MRXNPFEDSA-N 270.332 3.882 30 20 CHED C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)CCCC2 189584823 YFLDDGJASQGABR-CQSZACIVSA-N 293.414 3.626 30 20 CHED CC(C)(CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCC1 412379692 PAABOYIEWWKHSP-DLBZAZTESA-N 296.414 3.604 30 20 CHED Cc1ccc(C#N)cc1NC(=O)Nc1c(C)noc1C1CC1 137139092 OEHUYQKWIRLGRJ-UHFFFAOYSA-N 296.330 3.685 30 20 CHED CCCCCN(C(=O)c1cccc(CC#N)c1)C(C)C 78870120 FDFSGVNBAXABEK-UHFFFAOYSA-N 272.392 3.793 30 20 CHED CSc1c(F)cc(NCc2ccc(C#N)o2)cc1F 184177268 SRDLJOKLDQOXAV-UHFFFAOYSA-N 280.299 3.763 30 20 CHED C[C@@H](CCC#N)N1C[C@H](c2ccccc2)C(C)(C)C1 411380387 AUSIYWVKLQDUMN-GOEBONIOSA-N 256.393 3.804 30 20 CHED CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCCCC1 80865162 ITETTZCNEYQHFT-ZWKOTPCHSA-N 296.414 3.843 30 20 CHED COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2C)c1 130112918 NDTBHKSDEMBHQA-MDZDMXLPSA-N 297.310 3.808 30 20 CHED C[C@@H](N[C@H](CO)CC1CCCCC1)c1ccc(C#N)cc1 417364063 LEQNUHDXZUPIFL-KDOFPFPSSA-N 286.419 3.540 30 20 CHED C[C@H]1CC[C@@H](C(O)=Nc2ncn(C3CCCCC3)n2)C1 329570798 QLTLVNPVXQIZPX-NWDGAFQWSA-N 276.384 3.808 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCO[C@H]1c1ccccc1 191862153 QQVKOIPDNQSVIE-LAQRGFTBSA-N 273.420 3.955 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(N(CC)CC)cc1 428054792 OZAFATPVZODNKE-INIZCTEOSA-N 286.419 3.714 30 20 CHED COc1cc(OC)c(N[C@@H]2CCC[C@H](C#N)C2)cc1Cl 193072483 PRPVCEGGSXQBRA-WDEREUQCSA-N 294.782 3.851 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(Cl)c(OC)c1 194375938 ANLGACZPBOCLPW-UHFFFAOYSA-N 280.755 3.555 30 20 CHED CC(C)(C)C1=CCN(Cc2cc(F)ccc2C#N)CC1 533926889 RURHHDFJNQOLRB-UHFFFAOYSA-N 272.367 3.876 30 20 CHED CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccccc1 87824150 GJDBTIOOGQXPNX-KRWDZBQOSA-N 280.371 3.808 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCCc2cc(F)c(F)cc21 191830292 CINDFOPZEQKUGY-INIZCTEOSA-N 279.330 3.846 30 20 CHED CC1(C)CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1 178973348 LHTAMYXIJYDTFC-NSHDSACASA-N 290.329 3.507 30 20 CHED COCc1nc(C)c(/C(O)=N/C2CCC3(CC2)CC3)s1 329968450 WBWRDWJROJEDRS-UHFFFAOYSA-N 294.420 3.625 30 20 CHED C=CCC[C@@H](NC[C@@H]1CC2(CCC2)C(=O)O1)c1ccccc1 192159906 PCJRKLSWZWSPEW-DLBZAZTESA-N 299.414 3.769 30 20 CHED C=C(C)CN(CC)C(=O)c1cc(Cl)ccc1NCC 191963434 YMLPQFSQKFUBFP-UHFFFAOYSA-N 280.799 3.810 30 20 CHED O=C(/C=C\c1ccc2c(c1)CCO2)c1cccc(F)c1 48625023 PSTIOPGZGGROLI-XQRVVYSFSA-N 268.287 3.657 30 20 CHED N#Cc1ccccc1C[S@](=O)c1cccc(Cl)c1 84255840 GTJCMIBGQKHDNW-GOSISDBHSA-N 275.760 3.519 30 20 CHED CN(CC#N)C(=O)c1csc(-c2ccc(Cl)cc2)c1 334447047 LNXFYKQMVKPBLP-UHFFFAOYSA-N 290.775 3.664 30 20 CHED C[C@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@@H]1c1ccccc1 191403294 AHRXFFJKCIJCTJ-KXBFYZLASA-N 293.414 3.522 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCC(C)(C)C1 425477254 CAQRNSGGQXTJRE-BBRMVZONSA-N 299.418 3.839 30 20 CHED N#C[C@H]1CCC[C@@H](NCC2(Sc3ccccc3)CC2)C1 192850461 QLHZAQNDANRKDG-LSDHHAIUSA-N 286.444 3.983 30 20 CHED N#Cc1ccc(NCc2cccc(O)c2)c(Cl)c1 236562718 DQJDSFSIFVFIEL-UHFFFAOYSA-N 258.708 3.529 30 20 CHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1N1CCCC1 336461553 HXONYGDEQBSYJE-HNNXBMFYSA-N 299.418 3.859 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NCc1cc(C#N)n(C)c1 190883194 BHFUNDFFKKHHHV-HNNXBMFYSA-N 295.430 3.743 30 20 CHED C#CCCCC(=O)Nc1ccc(CN2CCC(C)CC2)cc1 192107609 BUCXADCDNPLTRY-UHFFFAOYSA-N 298.430 3.661 30 20 CHED Cc1nc(NCCC#N)c2cc(-c3ccccc3)sc2n1 339938223 HCJKIICVIYQVFD-UHFFFAOYSA-N 294.383 3.992 30 20 CHED C=CCn1cc(CN[C@H](c2ccc(CC)cc2)C(C)C)nn1 424298460 SJHCXTFHRPOHRY-SFHVURJKSA-N 298.434 3.513 30 20 CHED CC(C)(C)OC(=O)CC[C@H]1CCCCN1CCCCC#N 425479634 QEONSJBNJYEZHJ-OAHLLOKOSA-N 294.439 3.657 30 20 CHED CCc1nn(C)cc1/C=C/C(=O)c1ccc(OC(C)C)cc1 92199192 RKXKKPSFJZIJIK-DHZHZOJOSA-N 298.386 3.666 30 20 CHED C[C@@H](C(=O)N1CCC(CC#N)CC1)c1cccc(Cl)c1 334416950 QOBRHVWAQHUGQB-GFCCVEGCSA-N 290.794 3.596 30 20 CHED Cc1csc([C@@H](C)/N=C(/O)c2cc[nH]c2C(C)C)n1 330597961 DFPTYEWCBZZRAH-SNVBAGLBSA-N 277.393 3.969 30 20 CHED C[C@H]1CCC[C@H](CC(=O)N(C)c2ccccc2C#N)C1 337834972 CSPTVVXSNUIPPW-KBPBESRZSA-N 270.376 3.737 30 20 CHED CCC[C@H](C#N)NC(=O)[C@@H](CC)CC1CCCCC1 91968204 QXLIEYSHSZVUMH-LSDHHAIUSA-N 264.413 3.791 30 20 CHED CCc1ccccc1[C@H]1C[C@@H]1C(=O)N(CCC#N)CC1CC1 338535027 HPSLJZTTWHVKJL-MSOLQXFVSA-N 296.414 3.505 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)c1c(C)coc1C 339816660 UWZVIMKHENMSLY-UHFFFAOYSA-N 299.370 3.733 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(C)Cc1ccc(C#N)cc1 516391811 KLGWWBWXGWHLDI-RHSMWYFYSA-N 284.403 3.733 30 20 CHED CSc1ccsc1C(=O)Nc1scc(C)c1C#N 335136406 ZYCBISZUITZVPF-UHFFFAOYSA-N 294.426 3.964 30 20 CHED COCC1(CNc2ccc(C#N)cc2C(F)(F)F)CCC1 336936289 UPWHVZFKEZRVCK-UHFFFAOYSA-N 298.308 3.806 30 20 CHED CC(C)Sc1ccccc1C(=O)NCC1(CC#N)CC1 431172150 IKZRDANOZQVEHF-UHFFFAOYSA-N 288.416 3.611 30 20 CHED CC[C@@]1(C)CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 245780434 UGOSLNDEJBJBSJ-QAPCUYQASA-N 286.419 3.990 30 20 CHED CO[C@H](c1ccccc1F)[C@H](C)Nc1nccc(C)c1C#N 343541211 SDXVIXLCUGAZFD-LRDDRELGSA-N 299.349 3.589 30 20 CHED COc1ccc(CN2C[C@@H](C)CCC[C@@H]2C)cc1C#N 340204249 LENBXQNWHHLMPE-KBPBESRZSA-N 272.392 3.577 30 20 CHED Cc1ccc(-c2ncc(CNCC3(CC#N)CC3)s2)cc1 430044515 WARSRYIEDBWLRW-UHFFFAOYSA-N 297.427 3.902 30 20 CHED C[C@@H](CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 246828878 CHNGLAXDGCCOJW-VKJFTORMSA-N 284.403 3.769 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 245919351 GDAFINMCASMHSC-HYVNUMGLSA-N 299.418 3.909 30 20 CHED C[C@H](OCCCN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 248777822 HSKWNKPVFVYGNR-LZLYRXPVSA-N 286.419 3.826 30 20 CHED CC(C)c1cnc(S[C@@H](C#N)Cc2ccccc2)[nH]1 600586479 OEQUDXDFSPABAG-CYBMUJFWSA-N 271.389 3.760 30 20 CHED C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 604913191 URYPYCUKGZJEGT-LJISPDSOSA-N 264.413 3.609 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)[C@H](C)CCC(C)(C)C 344689238 YRAINAIDPINMHR-DOMZBBRYSA-N 284.469 3.600 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1ccsc1 343258633 JDOBJJKUPVHEDH-VXGBXAGGSA-N 251.395 3.713 30 20 CHED CCc1ccc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)o1 255013736 DLKOVWZUIPKHGB-POHAHGRESA-N 292.338 3.924 30 20 CHED C[C@]1(C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]2CC[C@H]1C2 602289774 SJMQPTCJVJGNST-PKWAYOAASA-N 288.778 3.976 30 20 CHED C=CCCC[C@H](C)N1C(=O)NC2(CCC(CC)CC2)C1=O 431269175 IARRBWVADXASGP-CBCUQQMYSA-N 292.423 3.622 30 20 CHED CC(C)Nc1cccc(-c2cn([C@H]3CC[C@@H](C#N)C3)nn2)c1 600973398 OHADRSKRXCHBHU-CJNGLKHVSA-N 295.390 3.630 30 20 CHED Clc1ccc(C=NOCc2noc3c2CCCC3)cc1 254985335 PELJRDHBVLBMJU-UHFFFAOYSA-N 290.750 3.758 30 20 CHED CCc1ccc(C=NOCc2cccc(C#N)c2)cc1 255024378 NUYJIMIZSAHHMG-UHFFFAOYSA-N 264.328 3.671 30 20 CHED N#Cc1cccc(C[S@@](=O)Cc2ccccc2C2CC2)c1 341471914 UOQKZJKIRARGCO-OAQYLSRUSA-N 295.407 3.885 30 20 CHED CC(C)C[C@H](C#N)NC(=O)c1cc2ccc(F)cc2s1 608822343 COJDANXVNHOHJT-GFCCVEGCSA-N 290.363 3.708 30 20 CHED C[C@H](CC(=O)NCC(C)(C)CCC#N)c1ccccc1F 345914230 TUINKVOHUQTUMN-CYBMUJFWSA-N 290.382 3.765 30 20 CHED C=C(CC)CSc1nnc(C)n1-c1ccccc1 358558765 IWNQFSXBHXHXOU-UHFFFAOYSA-N 259.378 3.634 30 20 CHED Cc1cccc(C)c1OC[C@H](C)NC[C@@H](C)CCC#N 602521238 LKKFBGKIAIROGD-BBRMVZONSA-N 274.408 3.600 30 20 CHED CCN(CC)CCC[C@H](C)NC1CCC(C)(C#N)CC1 449219033 MASTZLAOWQEUFU-GTPINHCMSA-N 279.472 3.559 30 20 CHED N#C[C@H](SCC(=O)Nc1ccccc1)C1CCCCC1 443397282 DKHYLYANLWIQEK-HNNXBMFYSA-N 288.416 3.831 30 20 CHED CC(C)(CCC#N)CNCC(F)(F)c1ccccc1 353257090 YHHSPOJTDWNRQF-UHFFFAOYSA-N 266.335 3.698 30 20 CHED C[C@H](CCN1CCC(CC#N)CC1)OCc1ccccc1 530505258 WOCXFGHTZFXCJX-MRXNPFEDSA-N 286.419 3.607 30 20 CHED C=CCC[C@H](NCCCOC(F)F)c1ccco1 353597490 SUKRVOBEIWBFQZ-NSHDSACASA-N 259.296 3.506 30 20 CHED C[C@H](C#N)CN(C)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 266898196 CQWNESFYHPWVAY-ZJUUUORDSA-N 299.201 3.715 30 20 CHED Cc1cc(NC(=O)NC2(c3cccc(C#N)c3)CC2)cs1 603150773 YUWGPQZTEONJNE-UHFFFAOYSA-N 297.383 3.739 30 20 CHED CCN(Cc1ccoc1)[C@@H](C)c1cccc(C#N)c1 615440077 WOACIZNBYBKZRD-ZDUSSCGKSA-N 254.333 3.734 30 20 CHED C=C[C@H](CC(=O)NCCSCC(C)C)c1ccccc1 536230426 CHJGPBARIXDDGI-OAHLLOKOSA-N 291.460 3.852 30 20 CHED C=C(CC)CSCC(=O)Nc1ccccc1Cl 536882346 RNGRZOZFDDVTFQ-UHFFFAOYSA-N 269.797 3.978 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C)c(O)c2)CCCC1(C)C 444647749 WBIMQZDFTYCBFO-MRXNPFEDSA-N 287.403 3.908 30 20 CHED Cc1ccccc1C[C@@H](C)NC1CCC(C)(C#N)CC1 449087651 GUPJQZZPLJBDPF-FAEJEUNOSA-N 270.420 3.988 30 20 CHED N#Cc1cccc(Cl)c1NCCSCC(F)(F)F 538766359 MTYJWCKFJKCQBZ-UHFFFAOYSA-N 294.729 3.919 30 20 CHED CC(C)(C#N)CNC(=O)c1cccc(Oc2ccccc2)c1 611689960 DUCOFGQNIIBIHM-UHFFFAOYSA-N 294.354 3.758 30 20 CHED N#Cc1ccsc1NC(=O)/C=C\SCc1ccco1 263633776 DGPRYGKYSYBBBF-XQRVVYSFSA-N 290.369 3.598 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC[C@H]1CCC(C)C)OCC 534452406 UADLGMZJODFUTH-JKSUJKDBSA-N 281.440 3.785 30 20 CHED COc1ccc(C)cc1CN[C@@H](C)c1ccc(C#N)c(F)c1 611466047 UNYNYGIAKURUDU-ZDUSSCGKSA-N 298.361 3.865 30 20 CHED CCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccn1 618567916 IRGZPHLUNGJXDH-YCPHGPKFSA-N 257.381 3.595 30 20 CHED Cc1ccccc1OCCCNc1cccc(CC#N)c1 453145986 MCZIPXHOWYYYRN-UHFFFAOYSA-N 280.371 3.942 30 20 CHED C=CCC1(C(=O)NC[C@H]2CCC(F)(F)C2)CCCC1 451379982 BIZZXSVGBRYVIO-LBPRGKRZSA-N 271.351 3.675 30 20 CHED CC(C)Oc1ccc2[nH]ccc(=NCC3(CC#N)CC3)c2c1 450499953 KHISDKMMTYXDDJ-UHFFFAOYSA-N 295.386 3.550 30 20 CHED CCCCO[C@@H](C)C(=O)Nc1ccc(CC#N)cc1Cl 452638811 BDILPOXHYVLSAS-NSHDSACASA-N 294.782 3.550 30 20 CHED CCn1cc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cn1 453376891 PLIPNILQLZDCJT-ACJLOTCBSA-N 294.402 3.503 30 20 CHED CC[C@]1(C(C)C)C[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 457316459 ZZWKKXQOXMLWLC-FUHWJXTLSA-N 296.414 3.531 30 20 CHED N#CCCC[C@H](NC(=O)N1CCC12CCC2)c1ccccc1 458800417 LDSFWKZGJVYQOE-INIZCTEOSA-N 297.402 3.760 30 20 CHED CC[C@@H]1Cc2ccccc2CN1CC1(C#N)CCC1 450756092 KAKBYVMOWGFAQF-MRXNPFEDSA-N 254.377 3.517 30 20 CHED C[C@H](Cc1cccc(F)c1)N(C)Cc1ccc(C#N)s1 459746222 IRBRCWSBWHQCJO-GFCCVEGCSA-N 288.391 3.822 30 20 CHED Cc1cc(NCc2ccc(C#N)s2)ccc1CN(C)C 459759073 LTBHUEXQOHUOLC-UHFFFAOYSA-N 285.416 3.602 30 20 CHED C=CCC[C@@H](NCc1cnc(C2CC2)o1)c1ccco1 453336028 AQKUQGZYVDVILH-CQSZACIVSA-N 272.348 3.942 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 364309134 ORUZNXVLKGPGPY-LGHUBQEGSA-N 281.399 3.884 30 20 CHED C[C@@H]1C[C@@H]1CC(=O)N(Cc1ccco1)c1ccccc1C#N 361512122 FPSDVYLGFWBQHB-UKRRQHHQSA-N 294.354 3.731 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 360244284 ZOKHTMPCSGILFG-CVEARBPZSA-N 282.387 3.517 30 20 CHED Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c2c1CCC2 451204696 VNGITGUXYALIRW-QGZVFWFLSA-N 296.414 3.638 30 20 CHED CSc1cccc(N(C)Cc2ccc(C#N)cc2)c1 546255590 HOTGSUXJUZZNDL-UHFFFAOYSA-N 268.385 3.917 30 20 CHED CC(C)(CCC#N)CNC[C@H]1CCCN(c2ccccc2)C1 365505911 QZTQRYVBLBWUNF-QGZVFWFLSA-N 299.462 3.823 30 20 CHED C=CCCCc1nc(Cc2c[nH]c3cccc(OC)c23)no1 273950001 PHXIBOKFEVWJSJ-UHFFFAOYSA-N 297.358 3.659 30 20 CHED C=CCC[C@@H](NC[C@H](O)c1ccsc1)c1ccco1 276464084 OLAPALKDRIBHMY-KGLIPLIRSA-N 277.389 3.672 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1nc2c(s1)CCCC2 453314850 YMXDFNCUFHBZMZ-NSHDSACASA-N 264.438 3.885 30 20 CHED Cc1nsc(NCc2cc(C3CC3)ccc2F)c1C#N 450580532 CHLJDABGHLIPQJ-UHFFFAOYSA-N 287.363 3.952 30 20 CHED N#Cc1ccc(C[S@](=O)Cc2cc3ccccc3o2)cc1 362882372 CDSZXDQRLZZYKS-NRFANRHFSA-N 295.363 3.753 30 20 CHED C=CCCOCCCCC(=O)N1C[C@H](C)CC(C)(C)C1 542439456 YMVFSUQKLBZTFD-OAHLLOKOSA-N 281.440 3.644 30 20 CHED CCc1nc(C)c(CSc2cccc(C#N)c2)o1 450861738 PRMUCYIKINASJS-UHFFFAOYSA-N 258.346 3.709 30 20 CHED C=CCCN(C)C(=O)Nc1cccc(Cl)c1F 276348847 UCNGBOBPEVASJT-UHFFFAOYSA-N 256.708 3.519 30 20 CHED CC[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)C1CCCC1 456649044 BZRVBGVKGHRSSF-ROUUACIJSA-N 298.430 3.844 30 20 CHED C=C(CC)CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 453360777 MXLPBMLSZOTCTA-GFCCVEGCSA-N 272.392 3.533 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1CCCCC#N 451968998 JZKOAXCIBCHNOY-INIZCTEOSA-N 260.356 3.965 30 20 CHED CCC#C[C@H](C)N1CCC(OCc2ccc(F)cc2)CC1 625654954 JKMXJUIKSIDDND-HNNXBMFYSA-N 289.394 3.609 30 20 CHED COC1(CCN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCC1 549464357 WYDFWGIGSQXVQU-ZWKOTPCHSA-N 298.430 3.717 30 20 CHED CC[C@@H](NCCCc1nccs1)c1ccc(C#N)cc1 278904387 ZREFJHXUBMQSDH-OAHLLOKOSA-N 285.416 3.688 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1cccc(C)c1 540527129 VQDCBYDXRAHOMI-CABCVRRESA-N 259.393 3.960 30 20 CHED CC[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(C#N)cc1 278786037 QCVSKOIUCPPFKR-XMTFNYHQSA-N 296.414 3.557 30 20 CHED C=CCN(C(=O)c1cnc2ccc(F)cc2c1)C(C)(C)C 622945058 QKDCMOAQHLISOR-UHFFFAOYSA-N 286.350 3.801 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(-c2ccncc2)noc1C 373215990 LLKMCEHIKQXWNM-LBPRGKRZSA-N 299.374 3.520 30 20 CHED C#CCCCC(=O)Nc1cc(C)c(F)cc1Cl 288681639 BPXLITFLFCZXFW-UHFFFAOYSA-N 253.704 3.530 30 20 CHED C=CCC(C)(C)C(=O)N1CCOc2ccccc2[C@@H]1C 622988887 ZMHSVKMJZNXOGM-ZDUSSCGKSA-N 273.376 3.571 30 20 CHED C=CCC(CC=C)C(=O)NCc1cc(F)ccc1SC 467363669 DFGMVPWUCWCKLB-UHFFFAOYSA-N 293.407 3.932 30 20 CHED C=C[C@H](C)NC(=O)c1ccccc1OCc1ccccc1C 465122747 QCYCZVCFFLFDKB-HNNXBMFYSA-N 295.382 3.878 30 20 CHED C=CC[C@H](CC)NC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 466395223 JFHIADWLRVCPGC-KBXIAJHMSA-N 264.413 3.704 30 20 CHED C=CC[C@@H](CC)NC1CCC(c2nc(CC)no2)CC1 281610625 MWMCPDBYXTXXSA-ROKHWSDSSA-N 277.412 3.603 30 20 CHED CC[C@@](C)(C#N)C(=O)N1CCCc2cc(Cl)ccc21 289185430 WGWIZHSSRITADF-HNNXBMFYSA-N 276.767 3.559 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnc(C)c(Cl)c1Cl 281098663 PVYOLYDZACHOFI-VIFPVBQESA-N 287.190 3.781 30 20 CHED CCC[C@@H]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462196927 RYPCSUUCZIMNHG-HUUCEWRRSA-N 284.403 3.700 30 20 CHED C=C[C@](C)(CC)c1nc(-c2ccc(C)c(OC)c2)no1 554795228 DLYYVYGXMQOUFS-MRXNPFEDSA-N 272.348 3.907 30 20 CHED CCC[C@@H](C(=O)Nc1cc(C#N)ccc1NC)C(C)C 552585525 GHFNWMQRJAKSCP-CYBMUJFWSA-N 273.380 3.611 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1cccc(F)c1 280697152 BWOFRVCVGGYMMM-PVAVHDDUSA-N 277.383 3.848 30 20 CHED C=C(C)Cn1c(N2C[C@@H](C)C[C@H](C)C2)nnc1C(C)(C)C 559024518 LICLJGBJJGRKEP-KBPBESRZSA-N 290.455 3.634 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)CCN1c1cc(C#N)ccn1 557673198 VGZPUNXCWLFRKG-PBHICJAKSA-N 277.371 3.726 30 20 CHED C[C@H](Nc1cc(C#N)ccn1)[C@@H](C)c1ccccc1 553152162 CMWVGETXZYFRCQ-OLZOCXBDSA-N 251.333 3.557 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)OCCCC)CCCC1(C)C 470275232 VVMVKVSRYCKAKK-CABCVRRESA-N 281.440 3.785 30 20 CHED C=CCN(CC=C)Cc1cc2c(C)c(C)ccc2[nH]1 473138120 BZOSCEYRGAPNSE-UHFFFAOYSA-N 254.377 3.959 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N[C@H]2CC[C@@H](F)C2)c1 558030149 WDAUPVJQGXDPOW-ZJUUUORDSA-N 272.245 3.880 30 20 CHED CC[C@H](C#N)OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801898167 NICBAKFMBXEATJ-GHMZBOCLSA-N 289.228 3.561 30 20 CHED C=CCOCCCN1CC[C@H](C)[C@H]1c1cccc(F)c1 470778388 DNOHHOJRIGWZCS-YOEHRIQHSA-N 277.383 3.801 30 20 CHED C=CCC1(C(=O)OC[C@@H](OC)c2ccccc2)CCC1 801859700 IXJMGSYYBJZWKH-OAHLLOKOSA-N 274.360 3.664 30 20 CHED COc1cc(NC(=O)Nc2ccc(C#N)cc2)c(C)cc1C 478924258 GQOZEHHNJDDYRR-UHFFFAOYSA-N 295.342 3.828 30 20 CHED C#C[C@H](NC(=O)/C=C\c1ccc(Cl)s1)C(C)(C)C 702239350 KTYBAIMKAUIBMV-DVBBHNHCSA-N 281.808 3.579 30 20 CHED CC(C)(C)OCCCC(=O)O[C@@H](C#N)C1CCCCC1 802801369 WWHKYNVHYDKYEX-AWEZNQCLSA-N 281.396 3.597 30 20 CHED C#C[C@H](NC(=O)N[C@@H](C)c1cc(C)sc1C)C(C)(C)C 808214486 JWFGVYVLSPPKIG-FZMZJTMJSA-N 292.448 3.773 30 20 CHED C#CCC(C)(C)c1nc([C@H]2CSc3ccccc32)no1 296539765 SFRMJISHINJGNM-LBPRGKRZSA-N 284.384 3.608 30 20 CHED C=CCCCCNC(=O)CCC(=O)c1cc(C)ccc1C 472698212 JZKACFNVEVMAML-UHFFFAOYSA-N 287.403 3.739 30 20 CHED CC1(C#N)CCC(Nc2c[nH]nc2-c2ccccc2)CC1 562518035 AENCJBWSGSDEDC-UHFFFAOYSA-N 280.375 3.961 30 20 CHED C[C@@H]1CN(c2c(C#N)cnc3ccccc23)CCC1(F)F 291166993 QMZLJGAISXXEMU-LLVKDONJSA-N 287.313 3.588 30 20 CHED Cc1ccc(NC(=S)NCC(C)(C)CCC#N)cc1F 806597212 FITWAGQKPRNNKM-UHFFFAOYSA-N 293.411 3.751 30 20 CHED CCc1c(C)sc(NC(=O)CCCCCC#N)c1C#N 808360732 SAPTZIVYDRNIOP-UHFFFAOYSA-N 289.404 3.903 30 20 CHED C=CCCCCNC(=O)c1[nH]c(-c2cccc(C)c2)nc1C 474675080 DXPLFRNZGPFBTI-UHFFFAOYSA-N 297.402 3.780 30 20 CHED CS[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 294902422 DZGCCRLCSDLPOV-SNVBAGLBSA-N 286.322 3.519 30 20 CHED CCN(C(=O)c1cnc(C)s1)[C@H](C)c1ccc(C#N)cc1 299611127 YEIBOWDLFFSYOO-LLVKDONJSA-N 299.399 3.547 30 20 CHED N#CCSCCCOC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 805516647 KAWMGMSKSBOGKW-SOUVJXGZSA-N 295.448 3.783 30 20 CHED C=CCCc1ccccc1NC(=O)N1CC(C(F)(F)F)C1 640119920 QBBXTNWZELNNRU-UHFFFAOYSA-N 298.308 3.831 30 20 CHED C(=Nn1cnc2ccccc21)c1cc2ccccc2o1 812454461 IASRBSYEARVESM-UHFFFAOYSA-N 261.284 3.665 30 20 CHED C=CCOc1ccc(CN[C@H]2CCCSC2)cc1Cl 484807394 MDWWLQHGYWUPQG-ZDUSSCGKSA-N 297.851 3.890 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@]12CCCc1ccccc12 488880779 RKCZNRVQDIEFAR-POAQFYNOSA-N 295.426 3.848 30 20 CHED O=C(Oc1cccc(C(F)(F)F)c1)[C@@H](F)C(F)(F)F 814813389 YZCHCEIBKQVGBB-SSDOTTSWSA-N 290.134 3.511 30 20 CHED Cc1cccc(-c2noc(-c3cccc(C#N)c3)n2)c1F 485976535 FOKPJFPVWGRKRN-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CSc1ccc(C)cc1C 488821766 KCRVRMUTHIHOOO-OAHLLOKOSA-N 289.444 3.963 30 20 CHED C=CCC[C@@H](NCc1ccc(CCN)cc1)c1ccco1 817949751 UUOGEUOEZUTYEB-QGZVFWFLSA-N 284.403 3.578 30 20 CHED C=CCSc1ccccc1C(=O)[C@H](C#N)c1ccccn1 486978726 CPZSALKXJDBBCD-CQSZACIVSA-N 294.379 3.850 30 20 CHED COc1ccccc1C(C)=NNc1ccc(F)c(F)c1F 814946805 YRYFQXLCNBMCAZ-UHFFFAOYSA-N 294.276 3.949 30 20 CHED Fc1ccc2ccc(C=NNCC3CCCC3)nc2c1F 814933489 PKAHSZLXKFYSAP-UHFFFAOYSA-N 289.329 3.627 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCc1ccc(Cl)s1 488876794 YHQNIYZYAKBRMZ-NSHDSACASA-N 283.824 3.901 30 20 CHED C=CCC[C@@H](C)NCC1(c2cccc(OC)c2)CC1 575625841 VFHPGKFWGASOOM-CQSZACIVSA-N 259.393 3.671 30 20 CHED CC1(C)C[C@]1(C#N)NC(=O)c1cc2cccc(Cl)c2o1 813300977 SITXURWENVKOKY-OAHLLOKOSA-N 288.734 3.508 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@H]1C1CCC1 480782691 WSBKZURAUWUVIW-INIZCTEOSA-N 274.795 3.976 30 20 CHED CC(=NNCc1ccccc1Cl)c1ccccc1C#N 814812933 RAXYSPXIYRYGSB-UHFFFAOYSA-N 283.762 3.725 30 20 CHED CCN(C[C@@H](C)C#N)C(=O)c1ccc(C2CCCC2)cc1 571695343 VDMGFCHIRIPOCZ-AWEZNQCLSA-N 284.403 3.966 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CCO[C@@H](CC)C1 810766062 HLGLIHHQEADXBR-CVEARBPZSA-N 281.440 3.834 30 20 CHED CCOCC(C)=NNc1nc(-c2ccccc2)cs1 726423548 ITHGTXNLTDISHF-UHFFFAOYSA-N 275.377 3.634 30 20 CHED CC(=NNc1c(C)cccc1F)c1csc(C(=O)O)c1 814905363 VHJXWTBPNLWDOA-UHFFFAOYSA-N 292.335 3.730 30 20 CHED C=CCC1(NC/C(C)=C\c2ccccc2)CCOCC1 657633430 PBNHIWPYBOTGRM-PEZBUJJGSA-N 271.404 3.805 30 20 CHED CC(C)[C@@H]1CCC[C@@H](NC[C@@H](C#N)CCC#N)CC1 578642440 HARXXCLWICQXSQ-BZUAXINKSA-N 261.413 3.624 30 20 CHED Cn1c(-c2ccccc2)cnc1SCC1(C#N)CCC1 828808455 PJMGXRWANKYLHL-UHFFFAOYSA-N 283.400 3.873 30 20 CHED N#CCOc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 727743659 FWDXITIVIJWTFJ-QPJJXVBHSA-N 299.276 3.763 30 20 CHED C#C[C@H](C)NC(=O)N(Cc1ccc2ccccc2c1)C1CC1 820440874 NWVCMEWMVUSGMQ-AWEZNQCLSA-N 292.382 3.536 30 20 CHED C=CCC(C)(C)C(=O)NC[C@]1(C)CCCc2ccccc21 497765454 GQZIFIHCRRMLHL-IBGZPJMESA-N 285.431 3.999 30 20 CHED Cc1cc2cc(/C=C\C(=O)c3ccnn3C)oc2cc1C 588595043 MLLBIGFWVJFCED-PLNGDYQASA-N 280.327 3.679 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cnc2ccccn12 667788247 LORRXXCFICMJIC-UHFFFAOYSA-N 286.379 3.544 30 20 CHED C=CCC1(NCCc2noc3ccccc23)CCCC1 661851338 SDQBLVPWNZEMAH-UHFFFAOYSA-N 270.376 3.849 30 20 CHED CC(C)C1(C)CCN(C(=O)CCCCCC#N)CC1 588692289 RFEIGMAHTIUUQL-UHFFFAOYSA-N 264.413 3.745 30 20 CHED CCCOc1ccc(/C=C2\C(=O)c3nccn3[C@@H]2C)cc1 901560261 JKIPYDNNFZZGQZ-QJMZJAKPSA-N 282.343 3.513 30 20 CHED C#C[C@@H](NC(=O)N(Cc1ccco1)C(C)C)c1ccccc1 820605390 NKMUYLNGFJEQQK-QGZVFWFLSA-N 296.370 3.574 30 20 CHED CSc1cccc(N(C)C(=O)CCCCCC#N)c1 588752988 KEEQXNOHGRWDKC-UHFFFAOYSA-N 276.405 3.845 30 20 CHED N#CCC[C@H](C#N)CNc1cccc(NC2CCCC2)c1 582541715 GNWNTKYSJZJTTP-CQSZACIVSA-N 282.391 3.897 30 20 CHED CC[C@H](NCc1cc(C(C)C)no1)c1cccc(C#N)c1 902804359 OZRXQSTWMMUKDN-INIZCTEOSA-N 283.375 3.911 30 20 CHED CCCCCCCCCN(C)C(=O)c1c(Cl)cnn1C 823168880 RXJDGSNGCJZGKB-UHFFFAOYSA-N 299.846 3.896 30 20 CHED CC(=O)c1ccc(C(F)(F)F)nc1NCC(C)(C)CC#N 664003394 IDNUPNWREWVTLC-UHFFFAOYSA-N 299.296 3.655 30 20 CHED C=CCCC(C)(C)NC(=O)NC[C@@H]1CCCC(F)(F)C1 664818175 DMNHOOSNFHVIPF-GFCCVEGCSA-N 288.382 3.856 30 20 CHED C=CCCCOC(=O)[C@@H](C)Sc1ccc(OC)cc1 735530831 QBVRMZLHXIVBJO-GFCCVEGCSA-N 280.389 3.685 30 20 CHED C=CC(C)(C)CC(=O)Nc1c(-c2ccccc2)n[nH]c1C 907462311 UVJCKHCQIJJPKX-UHFFFAOYSA-N 283.375 3.926 30 20 CHED C#C[C@H](NC(=O)c1ccoc1Cl)c1ccc(Cl)cc1 491680867 KGBBMEFWTJSMAE-LBPRGKRZSA-N 294.137 3.691 30 20 CHED CC(=NOCc1nnc(C(C)C)s1)c1ccc(F)cc1 902857267 YVXGDCDPRZQSIN-UHFFFAOYSA-N 293.367 3.741 30 20 CHED Cc1cc(C)c(C)c(OCCC(=O)OCCCCC#N)c1 733549395 QPIWVHGDKJTRFF-UHFFFAOYSA-N 289.375 3.618 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H]1CCc2sc(Cl)cc21 835231340 MANFCNXREBWVBY-MIMYLULJSA-N 298.791 3.523 30 20 CHED C=CCN(C(=O)NCc1cc(C2CC2)ccc1F)C(C)C 838638600 ZNYHTDAFEKQTRX-UHFFFAOYSA-N 290.382 3.809 30 20 CHED CCCCOc1ccc([C@@H](C)NCC2(C#N)CC2)cc1 903105883 IIDDNZHLSULZBR-CQSZACIVSA-N 272.392 3.820 30 20 CHED COc1ccc(C)cc1CN[C@H]1CCc2ccc(C#N)cc21 589341852 ARFDANVGCXOHIV-SFHVURJKSA-N 292.382 3.652 30 20 CHED N#Cc1ccc(C(=O)OC[C@@H]2CCCCC2(F)F)s1 835638013 LAOYSJYGVRIIPP-VIFPVBQESA-N 285.315 3.602 30 20 CHED C=CC[C@H](C(=O)OC[C@H](C)SC)c1ccccc1 835683771 BDNGRTQLKILRFH-JSGCOSHPSA-N 264.390 3.641 30 20 CHED CC(C)SCCN[C@@H]1CCCc2cc(C#N)ccc21 588231171 FYDVQNIUVSPMBT-MRXNPFEDSA-N 274.433 3.667 30 20 CHED Cc1c(NC(=O)C[C@@H]2CCCC[C@@H]2C)ccc(C#N)c1C#N 582414132 SBFYEIOOWKVENB-JSGCOSHPSA-N 295.386 3.893 30 20 CHED C=CCC[C@@H](CCC)NC1CCN(C(=O)C(C)(C)C)CC1 675749029 DAOXHIJUWSHNJO-OAHLLOKOSA-N 294.483 3.748 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2ccc(CC)o2)cc1 834887940 AMGTZRGYSNQAFG-CQSZACIVSA-N 283.371 3.705 30 20 CHED C=C(C)CN(C)c1nnc(C2CCCC2)n1CC(C)C 670282385 NKSOHUSCKHJFCQ-UHFFFAOYSA-N 276.428 3.604 30 20 CHED CC(C)(C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 839055847 KXEJZEICGGYWBJ-HIFRSBDPSA-N 271.360 3.590 30 20 CHED C=C(CNC(=O)Nc1ccc(F)cc1)c1ccccc1 672598215 VVPOMIFNUYXOFI-UHFFFAOYSA-N 270.307 3.661 30 20 CHED COc1ccc([C@H](C)NCC2(C#N)CCC2)c(Cl)c1 903034958 HAUPJSHXNPQVBO-NSHDSACASA-N 278.783 3.693 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 837928397 VDKILCXZWSWKLA-LSDHHAIUSA-N 293.357 3.993 30 20 CHED C[C@H](NCC1(C#N)CCC1)c1csc(Cl)c1 903032691 LEVPNJYFMWWPHT-VIFPVBQESA-N 254.786 3.746 30 20 CHED C#CCCCCCCOC(=O)C[C@@H](C)n1nc(C)cc1C 835711241 SQXKYQXHNKNCCI-MRXNPFEDSA-N 290.407 3.578 30 20 CHED CCCN(Cc1ccc(C)cc1)C(=O)C#CC(C)(C)C 837326342 IERVIRACXIYLDH-UHFFFAOYSA-N 271.404 3.783 30 20 CHED Cc1oc(-c2ccccc2)nc1COC(=O)C#CC(C)(C)C 838377794 QTAOMTLULJUQDD-UHFFFAOYSA-N 297.354 3.743 30 20 CHED N#Cc1cccc(NN=C2CSCc3ccccc32)c1 915958507 IHLCSCBRUITPES-UHFFFAOYSA-N 279.368 3.621 30 20 CHED Oc1ccccc1/C=N\Cc1cc2ccccc2o1 915978999 LPKGLUOWYVINCS-YVLHZVERSA-N 251.285 3.758 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cc(F)c(F)cc2Cl)C1 839053430 DTFQSHMEDCBVKF-IUCAKERBSA-N 299.704 3.857 30 20 CHED N#CCCCCOC(=O)[C@@H]1CCC[C@H]1c1ccccc1 835160592 XOKUTTQIQYBTQL-JKSUJKDBSA-N 271.360 3.807 30 20 CHED C=CCn1c(S[C@H](C)C#CCC)nnc1-c1ccco1 677131834 SWHVDJORXNYTGS-GFCCVEGCSA-N 287.388 3.618 30 20 CHED C[C@@H]1CC[C@@H](C(=O)N(CC#N)c2ccc(Cl)cc2)C1 592651907 IOSKUYHIPLVHGM-VXGBXAGGSA-N 276.767 3.633 30 20 CHED CCCCCCCCCNC(=O)NCc1ccc(C)nc1 916194275 QZGGQAMULPCHTA-UHFFFAOYSA-N 291.439 3.940 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(-c2ncco2)cc1C 594361527 MPWIPTUNFGFXKS-MRXNPFEDSA-N 283.331 3.528 30 20 CHED CC(=NNc1ccccc1Cl)c1ccc2c(c1)OCO2 916262893 VFNDZFMDZYSLFN-UHFFFAOYSA-N 288.734 3.905 30 20 CHED C[C@H](OC(=O)[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 748680832 XDAJMXQFYUHRGR-RYUDHWBXSA-N 259.349 3.845 30 20 CHED C=CCOCCOC(=O)c1csc(C2CCCCC2)n1 840665920 NFRPJSAZUDPNGT-UHFFFAOYSA-N 295.404 3.550 30 20 CHED Cc1cc(C)cc(NC(=S)N2CCC[C@H](CC#N)C2)c1 849272585 NQFILKKZJQRHQB-CQSZACIVSA-N 287.432 3.626 30 20 CHED CC[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)CCO1 590647084 QKHASSAEXHHJMD-GVDBMIGSSA-N 272.392 3.579 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C)C(C)(C)C1 594339111 CTBBXFCYXSMOCO-LSDHHAIUSA-N 298.430 3.631 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1cccc(Cl)n1 846925760 FHKVUFQQQNFHAL-UHFFFAOYSA-N 283.762 3.559 30 20 CHED Fc1ccc(C=NNc2cnccn2)cc1-c1cccs1 917546151 PNFFRTDRZSLINO-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C=C(CNC(=O)c1cc(C)cc(F)c1)c1ccccc1 672482443 LDFWYMXVCLWWBM-UHFFFAOYSA-N 269.319 3.577 30 20 CHED C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H](CC#N)C2)CC(C)(C)C1 597913978 SKTGWKUKKKMTNZ-OAGGEKHMSA-N 290.451 3.991 30 20 CHED Oc1ccccc1/C=N\C[C@@H]1SCCc2ccccc21 749845740 UBOSAFARIRXPEJ-PBXDPIQXSA-N 283.396 3.842 30 20 CHED CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2scc(C)c2C#N)C1 596902539 DZYHYGPBFXQUNJ-VXGBXAGGSA-N 291.420 3.971 30 20 CHED CCOc1ccc([N+](=O)[O-])cc1/C=C\C(=O)c1ccccc1 748584421 QXCJANHPXXGQQT-NTMALXAHSA-N 297.310 3.890 30 20 CHED Cc1c(NCC2(CC#N)CC2)cccc1-c1ncco1 594704543 LABDDZOEUBHVKM-UHFFFAOYSA-N 267.332 3.756 30 20 CHED CCCCCCCCCN(C)C(=O)N[C@@H]1CC[C@@H](CN)C1 842010809 OHFSPJPFLNBSHA-HZPDHXFCSA-N 297.487 3.506 30 20 CHED CC(C)c1ccccc1C=NN[C@@H](C)C(F)(F)F 848412498 SQHPQGWDXIOLFM-JTQLQIEISA-N 258.287 3.684 30 20 CHED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1cncc(F)c1 591175011 JKBWCDGTIHETPA-NSHDSACASA-N 298.365 3.958 30 20 CHED CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(C)o1 915923721 WUSDXXQCRYKGQQ-UHFFFAOYSA-N 287.388 3.607 30 20 CHED CCC(C)(C)OCC/N=C\c1cc2ccccc2nc1O 840710015 NNZGMCBEPBKIBI-PDGQHHTCSA-N 286.375 3.565 30 20 CHED O=C1/C(=C/c2ccnn2CC2CC2)Cc2ccc(Cl)cc21 849246398 HWQWLQLICWLDRC-MDWZMJQESA-N 298.773 3.769 30 20 CHED Cc1cc(C)nc(C(=O)OCCC2(C#N)CCCCC2)c1 840551872 HGTBERHNZAXPFN-UHFFFAOYSA-N 286.375 3.719 30 20 CHED C#CCCCOC(=O)C(CC)(CC)c1ccccc1 744049842 RYSBBYZWWPNMDD-UHFFFAOYSA-N 258.361 3.701 30 20 CHED N#C[C@@H](c1ccccc1)N1CCCc2sccc2C1 595314175 RHWLGTYNOKQZJS-HNNXBMFYSA-N 268.385 3.761 30 20 CHED COC(=O)Cc1ccc(NN=C2CCCC23CCC3)cc1 844605176 CBIVQQFDLURUNG-UHFFFAOYSA-N 286.375 3.524 30 20 CHED C=CCCOCC(=O)Nc1ccc2oc(C)c(C)c2c1 681359552 MRXHKSCBEKVREO-UHFFFAOYSA-N 273.332 3.581 30 20 CHED C=CCOc1ccc(-c2nc(-c3nc(C)cs3)no2)cc1 680750957 MXGUDZBBPUEJOQ-UHFFFAOYSA-N 299.355 3.733 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccoc1C 684256395 HQIGBQVFVDBYOO-UHFFFAOYSA-N 298.386 3.876 30 20 CHED N#Cc1ccc(-c2ccn(CCOCC3CCCC3)n2)cc1 842026830 BRVYIPOMRWURQS-UHFFFAOYSA-N 295.386 3.629 30 20 CHED C#CC[C@H](NC(=O)[C@H](C)C1CCCC1)c1ccccc1 757575267 BKQRODLWAMGGON-PBHICJAKSA-N 269.388 3.694 30 20 CHED C[C@@H]1C[C@@H]1C=NNc1ccc(Br)cc1F 758369467 GSLQKYCUVRQKSS-HTQZYQBOSA-N 271.133 3.642 30 20 CHED C=C(C)[C@@H](Cc1nc([C@H]2CCc3ccccc32)no1)OCC 680746137 IRAHCUBECVMRJX-JKSUJKDBSA-N 298.386 3.671 30 20 CHED C#CC[C@H](/N=C/c1cccc(OC)c1O)c1ccccc1 756847563 SUIDCFNZTRVHEM-HUCUOGIVSA-N 279.339 3.584 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)C(F)=C1CCCC1 851204378 PTHFVDWQDPIBIL-SNVBAGLBSA-N 253.317 3.656 30 20 CHED C=CCCSCCNc1cccc(F)c1C(C)=O 853791267 PFSPXZASQSPMHF-UHFFFAOYSA-N 267.369 3.750 30 20 CHED Cc1ccc(C(=O)OCc2cccc(C#N)c2)c(Cl)c1 755654498 OINWLNCUNFBBET-UHFFFAOYSA-N 285.730 3.877 30 20 CHED C[C@H](OC(=O)c1ccc(C#N)s1)c1cccc(F)c1 750401378 ZQSKUCSAKYLCDM-VIFPVBQESA-N 275.304 3.677 30 20 CHED C#CC(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCCC1 754092446 ULHWCRZNSREDOI-UHFFFAOYSA-N 283.415 3.545 30 20 CHED C#C[C@@](C)(CC)NC(=O)CCc1cccc(C(F)(F)F)c1 854700590 VSGHXHRGEBQYGY-HNNXBMFYSA-N 297.320 3.556 30 20 CHED CCn1cc(C=NO[C@@H]2CCCCO2)c2ccccc21 755823837 SZLPQVUPDIOXAK-MRXNPFEDSA-N 272.348 3.538 30 20 CHED C=CCOc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1 926402528 VRXGDMVILPAEMI-CQSZACIVSA-N 272.392 3.669 30 20 CHED CC1(C)C(=NNc2ccc(C(=O)O)c(F)c2)[C@H]2CCC[C@H]21 853354269 BZCAZFWVTBDCJK-CMPLNLGQSA-N 290.338 3.748 30 20 CHED C/C(=C\C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1Cl 754390858 DGKUUAJFFHMVKN-CFRMROPGSA-N 290.794 3.798 30 20 CHED N#Cc1ccc(CCOc2ccc(N3CCCC3)cc2)cc1 853675473 SYESMPUOODQLMA-UHFFFAOYSA-N 292.382 3.780 30 20 CHED Cc1sc(NC(=O)/C=C2\CC[C@@H](C)C2)c(C#N)c1C 753623551 PURBCOCTSGDJIG-SZJBZFAYSA-N 274.389 3.922 30 20 CHED CCCCCCCCNC(=O)N1CC(C(C)C)C1 755079829 ZJVONQWFKOKLBC-UHFFFAOYSA-N 254.418 3.644 30 20 CHED N#Cc1cc(COC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccn1 756377170 ZKBHAWUENBCMKY-OWCLPIDISA-N 298.386 3.603 30 20 CHED CN1CCc2cc(/C=C3\CCc4sccc4C3=O)ccc21 751536467 UUBRAVNHHDEUPF-SDNWHVSQSA-N 295.407 3.953 30 20 CHED C=CCCONC(=O)C[C@H](CC)c1ccc(C)cc1 856032662 RLDMMSSAGUQCEW-AWEZNQCLSA-N 261.365 3.503 30 20 CHED C=C(C)[C@H](CC(=O)OC[C@H]1CC=CC[C@H]1C)OCC 756489348 SRQDUNIFZVTQDS-KFWWJZLASA-N 266.381 3.503 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(C(C)(C)C)cc1 753944971 SQOUVONHLCKDOJ-UHFFFAOYSA-N 258.365 3.517 30 20 CHED C[C@H](c1ccccc1)[C@@H]1CCCN1CCCCC#N 932279199 WDCJAQUQVUZGEV-WBVHZDCISA-N 256.393 3.948 30 20 CHED Cc1nc2c(C(=O)O[C@@H](C)CC(C)(C)C#N)cccc2o1 851203585 CDFCLONFOCJGLS-JTQLQIEISA-N 286.331 3.621 30 20 CHED C#Cc1cccc(NC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 755602410 DLNQJCIIRFYHOO-XJKCOSOUSA-N 270.376 3.614 30 20 CHED N#Cc1ccc(NN=Cc2sc(Cl)nc2Cl)cc1 755651137 HOSXZYKEMOPMCV-UHFFFAOYSA-N 297.170 3.768 30 20 CHED C#CC[C@H](NCc1ccc(OC)c(F)c1)c1ccccc1 756995354 GUGBMLMEKRJKMY-KRWDZBQOSA-N 283.346 3.689 30 20 CHED O=[N+]([O-])c1ccccc1NN=C[C@H]1CCOc2ccccc21 752156520 BVMXVFKWGITJPB-GFCCVEGCSA-N 297.314 3.559 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cccc(Nc2ccccc2)c1 769646732 ZXBYHPTVCPCJSB-CQSZACIVSA-N 278.355 3.524 30 20 CHED CCCCCCCCCC(=O)Nc1ccsc1C(N)=O 769702373 VFAHLGCWZCCBMJ-UHFFFAOYSA-N 296.436 3.926 30 20 CHED CC(C)[C@@H]1CN(CCCCC2(C#N)CCC2)CCCO1 930590872 SZAVZBCYOVFGSH-INIZCTEOSA-N 278.440 3.597 30 20 CHED CC[C@@H](C(=O)OCc1ccccc1C#N)c1ccc(F)cc1 764646555 BGMREOPOAMPKKG-QGZVFWFLSA-N 297.329 3.934 30 20 CHED FC(F)(F)CON=Cc1csc2ccccc12 764836503 VFKXIJQKMVCCID-UHFFFAOYSA-N 259.252 3.814 30 20 CHED Cc1cncc(C(=O)OCc2ccccc2C(C)(C)C#N)c1 768034371 DTJRAXPKSFTVGH-UHFFFAOYSA-N 294.354 3.548 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1ccc(Cl)cn1 860685400 MGCUUWNEXVPPBG-SNVBAGLBSA-N 280.755 3.669 30 20 CHED Cc1nn(C)cc1/C=C1\CCc2ccc(Cl)cc2C1=O 761207762 XZTMPIBMHSTMQC-KPKJPENVSA-N 286.762 3.594 30 20 CHED CSc1cc(C(=O)OCCCCC(C)(C)C#N)co1 869773583 WONLLVIMHWJEOS-UHFFFAOYSA-N 281.377 3.878 30 20 CHED C=C(Br)COC(=O)[C@H](CCC)C(C)C 763848364 XGZOCWVYZAHPTE-SNVBAGLBSA-N 263.175 3.511 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)CCc1cncc2ccccc12 765627771 IUHCDZTVVHAEKS-MRXNPFEDSA-N 296.370 3.649 30 20 CHED C#CC[C@@H](NC(=O)[C@@H](F)c1ccccc1)c1ccccc1 769452907 CILZKJWKVYTUHG-SJORKVTESA-N 281.330 3.578 30 20 CHED C[C@H]1CC(=NNc2cc(C#N)cc(Cl)n2)C[C@H](C)C1 768374773 KKJQESVANISLCL-NXEZZACHSA-N 276.771 3.831 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1cc(F)cc(F)c1 1116249770 HTGCIOFXRPPBQC-HYXAFXHYSA-N 290.265 3.575 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccn(C)c1 763294503 PFXDLLNWNCECKZ-UHFFFAOYSA-N 264.413 3.848 30 20 CHED O=C1/C(=C\c2cnc(C3CCC3)s2)Cc2c(O)cccc21 760262054 JBASZIUPJXQOOD-XFFZJAGNSA-N 297.379 3.939 30 20 CHED C=C(Cl)COC(=O)CSc1nccc2ccccc12 767423408 UAWNPVMTOOQGDZ-UHFFFAOYSA-N 293.775 3.623 30 20 CHED N#Cc1cccc(-n2nc(C(F)F)cc2C2CC2)c1 871942421 TZLKXCWTGWFVHE-UHFFFAOYSA-N 259.259 3.559 30 20 CHED Oc1ccccc1/C=N\Cc1cccc(C(F)F)c1 1116683974 DBGPGLKTXKWDNC-ZDLGFXPLSA-N 261.271 3.949 30 20 CHED N#CC1(OC(=O)CCc2ccccc2C(F)(F)F)CCC1 870231959 CWSFELGHISZJRS-UHFFFAOYSA-N 297.276 3.627 30 20 CHED CC(C)N(C(=O)Cc1ccccc1CC#N)c1ccccc1 776837639 QXCIMRWSHGCTBZ-UHFFFAOYSA-N 292.382 3.737 30 20 CHED C=C(CC)COC(=O)/C=C/SCc1ccco1 773529342 KBULSLMSYVZZPR-SOFGYWHQSA-N 252.335 3.536 30 20 CHED C=CC(C)(C)CC(=O)NCCc1c[nH]c2c(C)cccc12 878949789 PVEQVEAAOLTRST-UHFFFAOYSA-N 284.403 3.737 30 20 CHED Fc1ccc(F)c2c1CCC2=NNc1ccc2[nH]ncc2c1 779821379 ZHGXSLFMIPIODL-UHFFFAOYSA-N 298.296 3.604 30 20 CHED CC(C)(C#N)CCOC(=O)[C@@H]1C[C@]12CCCc1ccccc12 776390986 ITXPHCAHXCWWKC-LPHOPBHVSA-N 297.398 3.764 30 20 CHED CC#CCCCC(=O)O[C@@H]1COc2cc(Cl)ccc21 774519730 JVFGXVGOZJQQQH-CQSZACIVSA-N 278.735 3.510 30 20 CHED C#CCCCCCC(=O)N(C1CC1)[C@@H](C)c1ccco1 779859260 JRBQUCFSZMWOBJ-AWEZNQCLSA-N 273.376 3.915 30 20 CHED Clc1cscc1C=NNc1ncccc1Cl 771876573 AOQGDQWBRVYNBM-UHFFFAOYSA-N 272.160 3.896 30 20 CHED COc1cc(C)sc1C(=O)O[C@@H](C#N)C1CCCCC1 776385050 JONCRLRNNDLLSH-ZDUSSCGKSA-N 293.388 3.694 30 20 CHED C=CCCCCOC(=O)Cn1nc(C(F)F)cc1C1CC1 873437160 ZOSBFWMMGDLGJU-UHFFFAOYSA-N 298.333 3.598 30 20 CHED N#C[C@H](C(=O)C1CCC=CCC1)c1nc(C2CC2)cs1 873542691 XNACZDREGHMDRU-CYBMUJFWSA-N 286.400 3.943 30 20 CHED Cc1ccccc1SC[C@H](C)CN[C@@H](C)CC#N 878819683 AOMPMJZXLKWXED-OCCSQVGLSA-N 262.422 3.615 30 20 CHED CC(=NNC[C@@H](C)C#N)c1ccc(SC(C)C)cc1 771114040 ZMDWGNRSWWWWEC-LBPRGKRZSA-N 275.421 3.660 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc(C#N)cc1F)C2=O 772805489 HTPZIHQXQWNMRL-OVCLIPMQSA-N 277.298 3.828 30 20 CHED CC(C)C(Cc1ccc(F)cc1)=NOC1CCOCC1 774436244 XJIHYJMHJLUXGQ-UHFFFAOYSA-N 279.355 3.576 30 20 CHED CC(C)c1nc(/C=C/C(=O)c2cscn2)c2ccccn12 776192796 SYQSBLDNZIYTSY-VOTSOKGWSA-N 297.383 3.810 30 20 CHED CC(C)[C@@H]1C[C@@H](Nc2nc3ccccc3cc2C#N)CCO1 771711609 YZTYXBHGSKTDJO-RDJZCZTQSA-N 295.386 3.722 30 20 CHED C#CCCCCCC(=O)N(CC)[C@H]1CCCC[C@@H]1C 779908124 XYMXWYGJDVLVHG-HOTGVXAUSA-N 263.425 3.997 30 20 CHED C#CCCCCC(=O)O[C@H](C)c1ncc(C(C)(C)C)o1 773627668 DIKXVEOAVDFVIJ-GFCCVEGCSA-N 277.364 3.770 30 20 CHED CC1(C)CC(=NNc2ccc(C#N)c(Cl)c2)C(C)(C)O1 783877357 INSVVRNIQKLBMW-UHFFFAOYSA-N 291.782 3.957 30 20 CHED C[C@H]1CCCC[C@@H]1C=NNCc1ccc(F)c(F)c1 783827954 RBHPUQDACZKSIO-WCQYABFASA-N 266.335 3.867 30 20 CHED C=C(Cl)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 788589845 WRLPRSJGRJSGLY-CYBMUJFWSA-N 280.755 3.659 30 20 CHED CCCC(=NNc1ccc([N+](=O)[O-])cn1)c1ccsc1 785452748 JGPRQAJLCSHBCE-UHFFFAOYSA-N 290.348 3.668 30 20 CHED C[C@]1(c2ccccc2)CCC(=NOC2CCOCC2)C1 780242028 YWAPRMKSHDQJQG-KRWDZBQOSA-N 273.376 3.680 30 20 CHED COc1cc(C)c(C(C)=NNC2CCCCC2)cc1OC 786042852 BGXBLCWNNHHNBN-UHFFFAOYSA-N 290.407 3.659 30 20 CHED C=C[C@H](C(=O)N[C@H]1CCC[C@H](SC)C1)c1ccccc1 1123572536 VDXQGENUGIXTBD-JYJNAYRXSA-N 289.444 3.747 30 20 CHED COc1cc(NN=C2CCC[C@@H]2C)ccc1Cl 788472478 VPOBXPQULGTHPB-VIFPVBQESA-N 252.745 3.937 30 20 CHED FC(F)(F)c1ccc(CON=C[C@@H]2CCSC2)cc1 782255735 XASHAFPPEXROIV-NSHDSACASA-N 289.322 3.961 30 20 CHED C=C1CC(c2noc(-c3cc(SC)ccc3O)n2)C1 896873851 HFACTRWQOFSMNH-UHFFFAOYSA-N 274.345 3.598 30 20 CHED CCOC(=O)[C@@H]1CCC(=NN[C@@H]2CCCC2(C)C)[C@@H](C)C1 782302887 VCBKNLWWLWCWBS-GZBFAFLISA-N 294.439 3.510 30 20 CHED Clc1cccc(C=NOCC[C@H]2CCCO2)c1Cl 786738149 HRQKPJRDBYNMMN-LLVKDONJSA-N 288.174 3.913 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cccc(Cl)c1O 784561995 JRJOLLXMCKGLEY-UHFFFAOYSA-N 281.739 3.532 30 20 CHED N#CCc1ccc(C(=O)OCc2sccc2Cl)cc1 785909207 HCMXTRAKBWRZNI-UHFFFAOYSA-N 291.759 3.825 30 20 CHED Cc1ccncc1/C=C\C(=O)O[C@@H](C)c1ccc(C#N)cc1 784060093 SJCQKIYHCUDNNI-DANTVBBOSA-N 292.338 3.579 30 20 CHED CC/C(C)=C(\C)C(=O)OCc1ccc(C#N)c(C)c1 784616007 XKBQQPIILPGGRD-ACCUITESSA-N 257.333 3.656 30 20 CHED C=CCCN(C)C[C@H](O)c1ccc(Cl)cc1Cl 786443391 JOIQVMFDYDKHPT-ZDUSSCGKSA-N 274.191 3.535 30 20 CHED C=C1CN(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)C1 898697337 UERLCTXQCVIEKM-YRNVUSSQSA-N 281.277 3.507 30 20 CHED C[C@H](C(=O)Nc1cc(C#N)c(F)cc1F)c1cccs1 1132690495 ZQSGUHZHEZWEKL-QMMMGPOBSA-N 292.310 3.640 30 20 CHED C[C@H]1Cc2ccccc2C1=NNc1cccc(Cl)n1 793164040 QOXXVLZXSJEPJH-JTQLQIEISA-N 271.751 3.743 30 20 CHED CC[C@@H](NCc1cc(C#N)ccc1F)c1ccc(C)cc1O 794813429 DLDYJVNUYDXZQC-QGZVFWFLSA-N 298.361 3.952 30 20 CHED C#C[C@@H](CCC)NC(=O)c1cc2cccc(Cl)c2o1 791204985 KXGYXNYDKBUQIE-NSHDSACASA-N 275.735 3.618 30 20 CHED CCC(=NNc1cccc(F)c1[N+](=O)[O-])C(C)C 790306987 QQWNMIZUAWPUFF-UHFFFAOYSA-N 253.277 3.568 30 20 CHED C[C@H](C#N)OC(=O)c1ccc2nc(-c3ccccc3)oc2c1 796047659 YJFGYJQXBUCIFW-LLVKDONJSA-N 292.294 3.564 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1F)c1ccnc(F)c1 794718887 GGWVOQMSLULAJE-DUXPYHPUSA-N 279.673 3.909 30 20 CHED C=CCC1(C(=O)OCCCOc2ccccc2)CCC1 791556472 PCIUDQQCQSWYKR-UHFFFAOYSA-N 274.360 3.745 30 20 CHED N#CCOc1ccc(CNCc2ccc3occc3c2)cc1 796288104 DUEUUTNGYUMMFS-UHFFFAOYSA-N 292.338 3.625 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC(CC(C)C)CC1 798495442 APDULSUTNREALV-OAHLLOKOSA-N 266.429 3.809 30 20 CHED Cc1ccnc2ccc(C(=O)Oc3ccc(C#N)cc3)cc12 796761714 HKQWHCWSAUZEQL-UHFFFAOYSA-N 288.306 3.634 30 20 CHED COCCN(C)N=C(C)CC12CC3CC(CC(C3)C1)C2 794968945 CNXDZRXUTKTILF-UHFFFAOYSA-N 278.440 3.547 30 20 CHED C#C[C@@H](CCC)NC(=O)Nc1ccc(Cl)cc1Cl 790604666 WSYUKGBRBOUCHN-JTQLQIEISA-N 285.174 3.917 30 20 CHED C[C@@H](Cc1ccccc1F)Nc1cccc(C#N)c1 134003303 SJTVXQQATPBENZ-LBPRGKRZSA-N 254.308 3.740 30 20 CHED O=C(CC#Cc1ccccc1)N(Cc1cccs1)C1CC1 1319654932 LFADMCMWEGMZQI-UHFFFAOYSA-N 295.407 3.681 30 20 CHED N#CCCN(CCCc1ccccc1)Cc1ccco1 78666544 SRKNYFQSZWJLSM-UHFFFAOYSA-N 268.360 3.628 30 20 CHED C#Cc1cccc(N(C)C(=O)c2ccc(C)cc2C)c1 103032652 WKOTWIDWYOQEQI-UHFFFAOYSA-N 263.340 3.561 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(OCC#N)cc1 1326657389 UELRYUAAGFXQRW-LBPRGKRZSA-N 289.379 3.535 30 20 CHED CC(C)SCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 409446582 MUPSCWNMZGWLFF-IRXDYDNUSA-N 288.460 3.900 30 20 CHED CO[C@@H]1CCCCC1=NNc1ccccc1Cl 1248679056 AHSDRSZBZPICDJ-CYBMUJFWSA-N 252.745 3.697 30 20 CHED CC#CCN(C)Cc1nc2ccccc2c(C)c1Cl 550491984 ZHTBUDIKCHBISA-UHFFFAOYSA-N 272.779 3.652 30 20 CHED Cc1ccc(C#N)c(NCC[C@@H](C)c2ccccc2)n1 61910802 DWEKKEHYSKVPLH-CYBMUJFWSA-N 265.360 3.867 30 20 CHED Cc1ccc(CSCCCC2(C#N)CCOCC2)nc1 1322563952 CZSHHROOHQKWQX-UHFFFAOYSA-N 290.432 3.724 30 20 CHED C=CCC[C@@H](NC[C@H]1CCCN(CC)C1)c1ccco1 1325887445 DTKKJUXBZDTXPM-HZPDHXFCSA-N 276.424 3.608 30 20 CHED Cc1nnc(N[C@@H](C)CC2CCCCC2)c(C#N)c1C 694693633 RUFNPAGQCLOKHL-NSHDSACASA-N 272.396 3.736 30 20 CHED C#CCCCCN[C@H](C)c1ccccc1OC(F)F 90397789 PXPRWPBPCVFYMG-GFCCVEGCSA-N 267.319 3.742 30 20 CHED C#Cc1cccc(N(CC)C(=O)CC2CCCCC2)c1 728481038 FGXUYGJSEZCYHS-UHFFFAOYSA-N 269.388 3.991 30 20 CHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](Cc2ccccc2)C1 1333396381 RFINWEDIZOBIMD-RDJZCZTQSA-N 271.404 3.680 30 20 CHED C[C@@H]1CCC[C@H](CNc2c(C#N)cccc2C#N)C1 1185027485 BVRQDEHLSQALCY-OLZOCXBDSA-N 253.349 3.668 30 20 CHED CCc1ccc2occ(C(=O)O[C@H]3CC[C@H](C#N)C3)c2c1 1343365057 CWZFJZQIKOVASG-STQMWFEESA-N 283.327 3.844 30 20 CHED Cc1coc(C(=O)Nc2ccc(C#N)cc2Cl)c1C 1342935947 WATGUWJZUSKEBY-UHFFFAOYSA-N 274.707 3.674 30 20 CHED CCO[C@H](C(=O)O[C@H](CC#N)c1ccco1)c1ccccc1 1346719937 IRZBLFFURFTHQY-CVEARBPZSA-N 299.326 3.555 30 20 CHED Cc1cccc([C@H](C)NC(=O)[C@@H](CC#N)c2ccccc2)c1 1357466959 LZDUSAZFJOFVSA-YJBOKZPZSA-N 292.382 3.870 30 20 CHED N#Cc1cc(C(=O)Nc2cc(F)ccc2Cl)cs1 1359831642 OEFFCQOXPJOOSS-UHFFFAOYSA-N 280.711 3.665 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1 1436540303 RMDYPTNSPZCGPQ-GDBMZVCRSA-N 270.376 3.504 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1cc2ccccc2c(O)n1 1514858974 MYMYZASVZARRLF-CQSZACIVSA-N 296.370 3.511 30 20 CHED C=C(C)CCC(=O)Nc1cccc(CN2CCCC2)c1 1515279513 IMRRSEZFJNBWHJ-UHFFFAOYSA-N 272.392 3.577 30 20 CHED C[C@H](CC#N)N(C)C(=O)C(C)(C)Cc1ccc(Cl)cc1 1518826927 YASHADWYJVGZGP-GFCCVEGCSA-N 292.810 3.669 30 20 CHED N#CC[C@H](OC(=O)C1=CCCCCC1)c1ccco1 1518000235 CXBDOWXZWRBZDP-AWEZNQCLSA-N 259.305 3.668 30 20 CHED CC[C@H](C(=O)Nc1sccc1C#N)c1ccc(F)cc1 1521436601 UGLYNQZDANZMPT-ZDUSSCGKSA-N 288.347 3.891 30 20 CHED Cc1ccc(C)c(N(C)Cc2cccc(C(=O)O)c2C#N)c1 1607763284 XHWMBPYEJCVMCI-UHFFFAOYSA-N 294.354 3.510 30 20 CHED CNc1ccc(C)cc1CN(CCC#N)Cc1ccco1 1462020689 SMDBRZMNHQWSKG-UHFFFAOYSA-N 283.375 3.546 30 20 CHED N#Cc1c(CSc2ccc(F)cc2)cccc1C(=O)O 1601080608 PMCZHJMNGWBTMX-UHFFFAOYSA-N 287.315 3.688 30 20 CHED CSc1ccccc1N(C)C(=O)c1ccc(C#N)s1 1539484743 BEYCQTSLRZODKM-UHFFFAOYSA-N 288.397 3.618 30 20 CHED CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(CC)[C@@H](C#N)CC 1538757670 RZXYFZYPBLFROU-FPCVCCKLSA-N 294.439 3.511 30 20 CHED C[C@H]1CCCC[C@@]1(C)NCCc1ccc(C#N)cc1 1618388221 YGFZBKQRMAABAW-WMLDXEAASA-N 256.393 3.659 30 20 CHED CCC1(CC)CCCN(C(=O)Nc2ccc(C#N)cc2)C1 1622711725 BXYVRHWDXILODN-UHFFFAOYSA-N 285.391 3.992 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1C#N 1636705910 RVUCDCDKBZNVFK-QWHCGFSZSA-N 288.366 3.644 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccsc2)cc1[N+](=O)[O-] 5129837 UVHDWPIWOJEEOP-HWKANZROSA-N 273.313 3.861 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cccc3c2CCCC3)C1 1583566645 YOIYUXAHAVBFFC-ZFWWWQNUSA-N 283.371 3.805 30 20 CHED C=C[C@H](N[C@@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)O 1588693493 ZTJFBZSVPSZNPE-GUYCJALGSA-N 297.354 3.769 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)O[C@@H]2CCC[C@@H](C#N)C2)C1 1583566698 ZOFNSJIGACAUIP-QKGCVVFFSA-N 263.381 3.684 30 20 CHED C=CCCC[C@H](Nc1nccc(C(=O)O)n1)c1ccccc1 1588798588 LANXWDSJMYFPLT-AWEZNQCLSA-N 297.358 3.684 30 20 CHED C=C(CNC(=O)N1C[C@H](C)CCC[C@@H]1C)c1ccccc1 1682941023 OWLZBUIGTHPOAV-ZBFHGGJFSA-N 286.419 3.920 30 20 CHED CC(=NO[C@H](C)c1ccccc1)c1csc(C(=O)O)c1 1776083216 RZKIUHPHPPGCAM-LLVKDONJSA-N 289.356 3.948 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1ccc(O)cc1)C2=O 13675253 XQNOKJZNMHDSFF-GXDHUFHOSA-N 280.323 3.613 30 20 CHED O=C1/C(=C/c2ccn(-c3ccccc3)n2)Cc2ccccc21 160794995 VKGDIGBHHCZPSN-FYWRMAATSA-N 286.334 3.695 30 20 CHED CCCCCCCN1CCC[C@@H](CNC(=O)CCC)C1 157771851 VCEONOBPHWHVQI-INIZCTEOSA-N 282.472 3.585 30 20 CHED C=CCN(C)C(=O)Nc1ccccc1N1CCCCCC1 156337726 FVYPUZWNCPVPPM-UHFFFAOYSA-N 287.407 3.717 30 20 CHED C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(C#N)cc1 156407640 IJMCKMGBALUCHZ-NSHDSACASA-N 292.298 3.511 30 20 CHED C=C(C)CNC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 154278851 GWWRBJXCPYOUTK-AWEZNQCLSA-N 274.408 3.757 30 20 CHED CC[C@H](c1ccc(F)cc1F)N1CCC(C#N)CC1 154501494 TXIUCFCCWNKSKA-OAHLLOKOSA-N 264.319 3.651 30 20 CHED C[C@@H](CC#N)N(C)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 103443691 POWJBXMRQGEDAO-WDEREUQCSA-N 296.823 3.581 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 52340970 TVGQKLHSIVRKGH-LLVKDONJSA-N 273.336 3.847 30 20 CHED N#C[C@H](NC(=O)c1csc(Cl)c1)C1CCCCC1 188049616 LSZMRJAMOFIXFD-NSHDSACASA-N 282.796 3.604 30 20 CHED N#Cc1ccc(NC(=O)CC2CCCCCC2)cc1F 307959226 IWNMQSDOTZIQRV-UHFFFAOYSA-N 274.339 3.996 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@H](C#N)C1CCCCC1 308082311 AJAYNSVTAIQDFR-DZGCQCFKSA-N 264.413 3.647 30 20 CHED N#Cc1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1Cl 311339486 HORWSHSJKCPCOH-VXGBXAGGSA-N 274.751 3.586 30 20 CHED N#CCc1cccc(N[C@H]2CCCC23CCOCC3)c1 313437850 OJAJRESAWNAYIN-INIZCTEOSA-N 270.376 3.514 30 20 CHED C[C@@H](C#N)CNC(=O)c1sc2cc(F)ccc2c1Cl 609523935 AKBLQQSTFOBARP-ZETCQYMHSA-N 296.754 3.583 30 20 CHED Cc1ccc(CNCCc2cccc(C#N)c2)c(C)c1 466408758 IICRDQGMTDZIOF-UHFFFAOYSA-N 264.372 3.507 30 20 CHED N#Cc1ccc(NCCC(F)(F)F)c(C(F)(F)F)c1 78591454 SXXZZTVSSKDIKN-UHFFFAOYSA-N 282.187 3.941 30 20 CHED CC[C@@H](NCc1ccccc1)c1ccc(C#N)cc1 447515002 IWNZSYFBTQGMHW-QGZVFWFLSA-N 250.345 3.799 30 20 CHED C=CCN(Cc1sccc1Br)C1CC1 357552313 LTSJUFVQJKTCNC-UHFFFAOYSA-N 272.211 3.661 30 20 CHED C#CCN(C(=O)[C@H]1CCCC1(C)C)C1CCCCC1 688792829 GVAPZCZAMIWWRX-OAHLLOKOSA-N 261.409 3.607 30 20 CHED CCSC1(CN[C@@H](C)c2ccc(OCC#N)cc2)CC1 691847212 SKASDDSUQYBJHU-ZDUSSCGKSA-N 290.432 3.525 30 20 CHED C=CCCN(C)Cc1c(C(=O)O)sc2ccccc12 382482072 QBZVJDJXJRYQDL-UHFFFAOYSA-N 275.373 3.607 30 20 CHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 19878237 IZJMPZRCIHPVEW-UONOGXRCSA-N 250.345 3.970 30 20 CHED CN(Cc1ccc2ccccc2c1)C[C@H](C#N)CCC#N 32514699 HSMLEQXREHMCPE-INIZCTEOSA-N 277.371 3.715 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@H]3CCCC[C@@H]3C2)n1 40418611 ICWCTGGTXNPRGL-HUUCEWRRSA-N 269.392 3.587 30 20 CHED O/C(C[C@H]1CCCO1)=N\[C@@H](c1ccccc1)C1CC1 46764762 ZLQUFDLNHDGJKK-ZBFHGGJFSA-N 259.349 3.663 30 20 CHED Cc1cccc(SCC(=O)Nc2sccc2C#N)c1 49373221 PKLBBHXFCCCHCQ-UHFFFAOYSA-N 288.397 3.659 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)C1CCCCC1 52333537 QITJOWAOAQNCDZ-AWEZNQCLSA-N 272.392 3.647 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1ccc(Cl)c(Cl)c1 54178237 BRUNEKKKPOVROQ-QMMMGPOBSA-N 286.162 3.807 30 20 CHED N#Cc1ccc(OCCN2CCSc3ccccc32)cc1 57848726 UWVXHSSRPSLZKX-UHFFFAOYSA-N 296.395 3.549 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2C#N)C1(C)C 57985698 JIZDQGLPEMCOHZ-ZFWWWQNUSA-N 268.360 3.735 30 20 CHED CC[C@H](C)[C@H](C)N(Cc1ccc(C#N)cc1)C1CC1 60562509 CTGNGIJTWKFTFH-KBPBESRZSA-N 256.393 3.957 30 20 CHED C[C@H](C#N)CN(C)[C@H](C)c1ccc(OC(F)(F)F)cc1 64795290 KQMJFVIVEKYJGS-GHMZBOCLSA-N 286.297 3.738 30 20 CHED Cc1ccc(C[C@H](C)Nc2ccc(C#N)cc2)s1 80245191 FNPFTUHATFHLIA-NSHDSACASA-N 256.374 3.971 30 20 CHED C=CCOc1cccc(NC(=O)c2ccccc2C(C)=O)c1 81288299 OXOBPHGBVHQAMN-UHFFFAOYSA-N 295.338 3.706 30 20 CHED CCN(Cc1nc(C)cs1)[C@H](C)c1ccc(C#N)cc1 81666109 IFYXYVVMBIFHFN-CYBMUJFWSA-N 285.416 3.906 30 20 CHED CC(C)(C#N)CCCNC1(c2nccs2)CCCC1 83215102 DMMRPZVMQYWRBC-UHFFFAOYSA-N 277.437 3.832 30 20 CHED C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1 86035741 CCFDNBHVVXUCTM-MNNVXMFVSA-N 276.383 3.961 30 20 CHED CN(Cc1cccc(OCCCC#N)c1)CC1CCCC1 92667247 LPORACDROAPOSY-UHFFFAOYSA-N 286.419 3.991 30 20 CHED COc1c(Cl)cc(Cl)cc1CN(C)[C@@H](C)CC#N 93090854 NRECQFLHNHTFKS-VIFPVBQESA-N 287.190 3.736 30 20 CHED C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(F)c(C#N)c1 102955008 ZOVOBAVJPPQAGG-XHDPSFHLSA-N 289.354 3.740 30 20 CHED CC(=C/c1ccccc1)/C=C1/Oc2cc(O)ccc2C1=O 110089478 UTIAZFXAUXAFRT-CVRKYSSXSA-N 278.307 3.955 30 20 CHED N#Cc1ccccc1OC1CCC(NCc2ccco2)CC1 111408729 MWKJDBRQBZSPRK-UHFFFAOYSA-N 296.370 3.631 30 20 CHED C=C(C)COc1cc(CNCCCC)ccc1OC 113311651 YNOKVBBCRAPGCJ-UHFFFAOYSA-N 263.381 3.540 30 20 CHED C=C(Br)CN(Cc1cccc(O)c1)CC1CC1 113505649 FVOQCMMLOFZCBI-UHFFFAOYSA-N 296.208 3.513 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)c2coc3ccccc23)C1 116811036 JXXKYQRGNSTFTD-SJCJKPOMSA-N 282.343 3.635 30 20 CHED C=CCN(Cc1cccs1)Cc1cnc2ccc(C)cn12 119949543 NNHSIEPRIOFNRQ-UHFFFAOYSA-N 297.427 3.892 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1F 120110093 AIPVHDORAYPADT-SNVBAGLBSA-N 290.288 3.826 30 20 CHED CCCCCCCC(=O)N(C)c1nc2ccccc2n1C 120166191 OMDVCPVVEZSUDD-UHFFFAOYSA-N 287.407 3.897 30 20 CHED COc1ccc(CN(Cc2ccc(C#N)s2)C2CC2)cc1 120729448 MJWNUEUJVDYKLU-UHFFFAOYSA-N 298.411 3.793 30 20 CHED C[C@H](C#N)Oc1ccc(CNc2cnn(C(C)(C)C)c2)cc1 122094085 KGVNFMWBIOAZJH-CYBMUJFWSA-N 298.390 3.541 30 20 CHED C=C[C@@H](CC(=O)N1CCCC[C@H]1C)c1ccccc1 122375433 VLIKIUHHUVBDSE-CABCVRRESA-N 257.377 3.747 30 20 CHED C#CCSc1nnc(-c2cccc(Cl)c2)n1CC=C 122537309 FIBKEUWTBDWTFE-UHFFFAOYSA-N 289.791 3.510 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(F)cc1 124519530 HLOCXTKIIPJJAX-GFCCVEGCSA-N 279.380 3.507 30 20 CHED CCCC(CCC)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 125906483 MMQXESFPDIWLJW-CQSZACIVSA-N 297.402 3.966 30 20 CHED COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)s2)C1 129852024 HZUSXNQLQSNSCE-CYBMUJFWSA-N 298.411 3.618 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 131431907 KIBSIKNBNWCRGV-RBUKOAKNSA-N 289.378 3.743 30 20 CHED C[C@H]1CCc2nc(CNc3ccc(C#N)cc3)sc2C1 132867801 CFBZNRGCNJLKAO-NSHDSACASA-N 283.400 3.752 30 20 CHED C#CCCCCNC(=O)Nc1c(C)cccc1Cl 133116850 VALINPNUODTUML-UHFFFAOYSA-N 264.756 3.573 30 20 CHED CC(=O)Nc1ccc(C)c(NCC#Cc2ccc(F)cc2)c1 135555786 CZUQWDMXGXDJIT-UHFFFAOYSA-N 296.345 3.556 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H]1CCCc2sccc21 136632784 GMZURQMXOMBLJL-ZDUSSCGKSA-N 278.421 3.733 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2ccc(F)c(C#N)c2)c1 151511707 INUQHXWXCHKCJL-LBPRGKRZSA-N 282.318 3.748 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)CCCCC)CC1 152931756 SZDOJOBBLVMZKM-HNNXBMFYSA-N 252.446 3.585 30 20 CHED C=C(C)CN1CCC(N[C@@H](C)c2ccc(C)c(C)c2)CC1 152983157 BVFKLWPIVYUNBD-KRWDZBQOSA-N 286.463 3.995 30 20 CHED Cc1ccc2cc(C(=O)O[C@H](C#N)C(C)(C)C)ccc2n1 154237547 VPOUFXHXXUGGJC-OAHLLOKOSA-N 282.343 3.638 30 20 CHED C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1 154349315 DFRHCRWLVSOITL-NXEZZACHSA-N 256.271 3.550 30 20 CHED C=C(C)Cn1c(SCC(C)C)nnc1-c1ccncc1 156104597 GKAWKZVRKPCOKV-UHFFFAOYSA-N 288.420 3.664 30 20 CHED CC(C)(C#N)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 157739100 XIUIGOXOQKCXBV-OAHLLOKOSA-N 292.810 3.653 30 20 CHED C=CCC[C@H](NC(=O)[C@H]1CCC(=O)C[C@H]1C)c1ccccc1 161777940 PGVDOIOTNWSFKT-JLSDUUJJSA-N 299.414 3.815 30 20 CHED CC[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCS1 162936243 RWPXBKGSRQLFAZ-CYBMUJFWSA-N 280.824 3.539 30 20 CHED Cc1ccc(Cl)cc1C(=O)N(C)Cc1cccc(C#N)c1 163168524 PPOAARMGUPWCBH-UHFFFAOYSA-N 298.773 3.792 30 20 CHED N#CCCCCNC(=O)Nc1ccc2ccccc2c1 170902735 IOXGQZPZWGYBLW-UHFFFAOYSA-N 267.332 3.655 30 20 CHED CCC(CC)CN(CCC#N)CCc1scnc1C 173552199 XOYANDHJJWJBRB-UHFFFAOYSA-N 279.453 3.646 30 20 CHED N#Cc1ccc(CNCCCCCc2ccccc2)o1 174341930 IUYWCTGYVNNVBU-UHFFFAOYSA-N 268.360 3.654 30 20 CHED Cc1nnc(SCC#Cc2ccc(Cl)cc2)s1 177471510 BPNJLALLWOBQJQ-UHFFFAOYSA-N 280.805 3.644 30 20 CHED CCCCc1ccc(N(C)C(=O)c2cc(C#N)c[nH]2)cc1 177938763 WXINUEBKEDHGFJ-UHFFFAOYSA-N 281.359 3.506 30 20 CHED C=CCCC[C@H](C)NC(=O)Nc1ccc(F)cc1C#N 179671443 VSPJVGUTMZJYEA-NSHDSACASA-N 275.327 3.564 30 20 CHED N#C[C@@H]1CC[C@H](OC(=O)/C=C/c2nc3ccccc3s2)C1 179864032 XTFMOEJLDDHSGN-LASXONHFSA-N 298.367 3.545 30 20 CHED CCCN(Cc1ccc(C#N)cc1)Cc1ncc(C)s1 180432960 RSVYNPMRQCISJY-UHFFFAOYSA-N 285.416 3.735 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(F)c(SC)c(F)c1 186138440 KDXXICZJTKURFR-UHFFFAOYSA-N 283.343 3.675 30 20 CHED CCc1nc([C@@H](C)NCc2ccc(C#N)cc2C)cs1 186329737 WAVOJEHDVGFYFT-GFCCVEGCSA-N 285.416 3.736 30 20 CHED C#CCCCCC(=O)N1Cc2ccccc2C[C@H]1CC 186360047 LLKHSBIBJLBONU-QGZVFWFLSA-N 269.388 3.544 30 20 CHED C=CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H]2C1)c1ccccc1 188526349 OYWOVHJDYVPNPM-BRWVUGGUSA-N 269.388 3.605 30 20 CHED Cc1c(-c2ccccc2)[nH]c(S[C@H](C)CCC#N)nc1=O 189481127 JJPJEFSDTKJBIL-LLVKDONJSA-N 299.399 3.530 30 20 CHED CCC(=CC(=O)N(CCC#N)C(C)(C)CC)CC 189912827 XMILJPUEHLGDEH-UHFFFAOYSA-N 250.386 3.664 30 20 CHED C=CCC1(C(=O)NCCCOC2CCCCC2)CCC1 191254592 KQABHSSLVRMHPO-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C[C@H](C/N=C/c1ccccc1O)COCc1ccccc1 193686050 DIIWVYYCCWIMHJ-IYSPOMMRSA-N 283.371 3.664 30 20 CHED Cc1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1Cl 194021579 PIOVRAXUKXUFEY-UHFFFAOYSA-N 299.761 3.571 30 20 CHED Cc1cc(CN(C)Cc2ccc(C#N)cc2)c(C)s1 194378655 JSIYXLUAXPQGBQ-UHFFFAOYSA-N 270.401 3.869 30 20 CHED C[C@H]1CCC[C@H](N(C)Cc2cccc(C#N)c2F)C1 223522416 HSWKHTRIRWLLHT-WFASDCNBSA-N 260.356 3.708 30 20 CHED C[C@H]1CCC[C@H](CNCc2ccc(C#N)cc2F)C1 227596555 FCVNIJCGHFCUMY-JSGCOSHPSA-N 260.356 3.613 30 20 CHED CC[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)Oc1cccc(C)c1 248913026 VRGOOPOBYRZNET-BRWVUGGUSA-N 286.419 3.824 30 20 CHED C=C(C)[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc(F)c(F)c1 249276427 DEXVDTRRWCMRGK-ZENOOKHLSA-N 291.341 3.744 30 20 CHED CCCCCCC[C@H](C)N[C@H]1CCN2CCC[C@H]2C1 250795133 AOOIEBCGQGVXEZ-ULQDDVLXSA-N 266.473 3.952 30 20 CHED Cc1ccoc1C(=O)/C=C\C1=Cc2ccccc2OC1 255123120 QLKXNSMJLNFLNB-SREVYHEPSA-N 266.296 3.803 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(COC)c2)o1 255226193 DETZHGDNDAFCJX-CLFYSBASSA-N 270.328 3.885 30 20 CHED C=CCCCCCCCNC1CCC(C(=O)O)CC1 263448382 YQMMMCXBPYDTBK-UHFFFAOYSA-N 267.413 3.746 30 20 CHED C=CCCC(=O)NCc1ccccc1OC1CCCC1 263691806 RPHZAHFDVUGHFN-UHFFFAOYSA-N 273.376 3.590 30 20 CHED CCc1cccc2c1OCC[C@@H]2NCc1ccc(C#N)s1 267213054 RDIZJCUKRCXIMP-INIZCTEOSA-N 298.411 3.796 30 20 CHED CCC1(CC)CCN(C(=O)Nc2cc(C#N)ccc2C)C1 267985205 IQMIPRRTHWDMEG-UHFFFAOYSA-N 285.391 3.911 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(C)ccc1Cl)OCC 270205517 KIDWDTWZYSLVDZ-AWEZNQCLSA-N 281.783 3.958 30 20 CHED CC(C)(C)[C@H]1C[C@H](Nc2snc(Cl)c2C#N)CCO1 270803529 VAWYIHDVXZPIQE-PSASIEDQSA-N 299.827 3.674 30 20 CHED C[C@@H](C#N)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 270978828 BCBQRCVYVXMRBS-BLLLJJGKSA-N 285.778 3.520 30 20 CHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2ccccc2OC)C1 275967156 JFJCJUKIHALDGS-RDTXWAMCSA-N 287.403 3.613 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccccc1OC(F)(F)F 276326309 PZJGSOBZHJRBGY-LLVKDONJSA-N 286.297 3.709 30 20 CHED C[C@H](CCC#N)N(C)Cc1ccc(Br)s1 276334938 RSPJMVCLVDGOFL-SECBINFHSA-N 287.226 3.635 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1CSCC 279098729 SWDMMGLFFXAOJI-LBPRGKRZSA-N 263.406 3.634 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)C(C)C)c(C)cc1Cl 279680557 IWMJPKACSNWTJI-HNNXBMFYSA-N 278.783 3.625 30 20 CHED CN(Cc1cccc(C#N)c1)Cc1ncc(C(C)(C)C)s1 280041919 ZKQLYUKDFSJALA-UHFFFAOYSA-N 299.443 3.944 30 20 CHED C=CCC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 285394086 WWBJBOSQDSUJHQ-BBRMVZONSA-N 255.365 3.768 30 20 CHED C=CCCOCCN[C@@H](CC)c1cccc(Cl)c1O 287271916 AZWNJNSYQKSCRQ-AWEZNQCLSA-N 283.799 3.679 30 20 CHED Cc1nsc(NC[C@@H]2CCO[C@H]2c2ccccc2)c1C#N 287635827 HNAAJEXGIZQFIV-ZFWWWQNUSA-N 299.399 3.513 30 20 CHED Cc1nsc(NC[C@H](c2cccnc2)C(C)C)c1C#N 287968183 UAFZHHHJMIPRLV-AWEZNQCLSA-N 286.404 3.570 30 20 CHED N#CCSCCCSCc1c(F)cccc1F 289544170 OHUJURPUGSFCPW-UHFFFAOYSA-N 273.373 3.845 30 20 CHED C[C@@H]1CCCN(C(=O)CCCC#N)c2ccccc21 291717350 LQMGGYBQIOSEQX-CYBMUJFWSA-N 256.349 3.611 30 20 CHED CC1(C)CN(c2ncc(C#N)cc2Cl)[C@@H]1c1cccnc1 291850052 MHFPZMVISKXDPI-CQSZACIVSA-N 298.777 3.589 30 20 CHED C=CCN(CCC#N)C[C@@H](OC(C)C)c1ccccc1 292038491 AFXGHLWLIXSIBO-QGZVFWFLSA-N 272.392 3.554 30 20 CHED CC1(C)CN(c2ccc(Cl)c(C#N)n2)[C@H]1c1ccncc1 292798043 QWTFVBHHYUEQBM-HNNXBMFYSA-N 298.777 3.589 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(-c2ccco2)nn1C(C)C 296096355 QUPWGQDJLIUHFP-UHFFFAOYSA-N 287.363 3.875 30 20 CHED C[C@@H](NCC(C)(C)c1ccccn1)c1ccc(C#N)c(F)c1 296641395 CCRNEAXMDWFKNO-CYBMUJFWSA-N 297.377 3.721 30 20 CHED Cc1cc(NC(=O)N(C)[C@H](C)CC#N)c2ccccc2c1 297504115 UXZADBZLMDJNOJ-CYBMUJFWSA-N 281.359 3.914 30 20 CHED C[C@H](NC(=O)C1(C#N)CCCCC1)c1c(F)cccc1F 299147037 XDHLKBSUWUJTGA-NSHDSACASA-N 292.329 3.616 30 20 CHED N#Cc1ccc(N2CCCC[C@@H]2Cc2ccccc2)nc1 301572132 LDDVYCHMPSYNAM-QGZVFWFLSA-N 277.371 3.555 30 20 CHED CCC1(CC)CCCN(c2nnc(C)c(C)c2C#N)CC1 302747141 FOIKNEMGAZYJIM-UHFFFAOYSA-N 286.423 3.762 30 20 CHED CC[C@H](C#N)Oc1cccc(CNc2ncc(C)s2)c1 302869103 ASTZPYYJGSUFHI-CYBMUJFWSA-N 287.388 3.745 30 20 CHED C=C(C)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 303131953 CAPXOFLHVXLSKM-UHFFFAOYSA-N 271.404 3.942 30 20 CHED C[C@H](Nc1ccc(OCC#N)cc1)c1ccc([N+](=O)[O-])cc1 314543326 UMOWMCGGQITSNI-LBPRGKRZSA-N 297.314 3.670 30 20 CHED O=C1CC[C@H](/C(O)=N/[C@@H]2CCCC(F)(F)C2)n2cccc21 329830837 FIGZVNRWUAPJFR-ZYHUDNBSSA-N 296.317 3.540 30 20 CHED CCN(CC)C(O)=Nc1cc2sc(C)nc2cc1OC 330437949 SBJAMPLKZFVUGN-UHFFFAOYSA-N 293.392 3.501 30 20 CHED CC[C@H](/N=C(/O)c1cc(C(C)C)oc1C)[C@@H]1CCCO1 330601133 IAAKXDLENOTDQU-KBPBESRZSA-N 279.380 3.974 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2cc(C(C)C)oc2C)n1 330607154 JLXVKZJWMHMKFM-GFCCVEGCSA-N 288.372 3.966 30 20 CHED CCCC(C)(C)N/C(O)=N/[C@@H]1CCO[C@H](CC(C)C)C1 330749610 UKOLMDXFEWGPEZ-ZIAGYGMSSA-N 284.444 3.662 30 20 CHED COC(C)(C)C[C@H](C)/N=C(/O)Nc1c(C)cc(C)nc1C 331306487 GFJFNOOYQNAAAN-LBPRGKRZSA-N 293.411 3.536 30 20 CHED N#Cc1cncnc1S[C@@H]1CCCc2ccccc21 335483432 FOEVCGBFHVBOCJ-CQSZACIVSA-N 267.357 3.518 30 20 CHED Cc1ncsc1CN[C@H]1CCCCc2cc(C#N)ccc21 336083662 HQJVRLOMAVOFNS-INIZCTEOSA-N 297.427 3.881 30 20 CHED CCC1(CC)CCN(CCCC2(C#N)CCOCC2)CC1 337200182 FAHGIVDZLHPGEL-UHFFFAOYSA-N 292.467 3.989 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc(C3CCC3)cc2)C1 339363376 SXISGRAAAJOWHL-PBHICJAKSA-N 254.377 3.736 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc(CC#N)cc1 340045768 HPOSRXJIWIENDL-UHFFFAOYSA-N 296.395 3.643 30 20 CHED C=CCCCCCN(C)C(=O)c1cc(O)ccc1Cl 340618573 HBGKZCZYBFQIHW-UHFFFAOYSA-N 281.783 3.864 30 20 CHED CC(C)Oc1ccccc1NC(=O)c1ccc(F)c(C#N)c1 340949576 GWSUXQFDZDQDNE-UHFFFAOYSA-N 298.317 3.737 30 20 CHED N#Cc1cccc(CCNCc2cc3cc(F)ccc3o2)c1 341484943 LOKCFJFTANVWBT-UHFFFAOYSA-N 294.329 3.776 30 20 CHED CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1cc(C#N)cc(C)n1 342937760 ITNOYURXCRSGDY-SJCJKPOMSA-N 299.349 3.589 30 20 CHED Cc1cc(C(=O)Nc2scc(C)c2C#N)ccc1F 344907893 ZQXQITLMYSHEJU-UHFFFAOYSA-N 274.320 3.628 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1cccc(Nc2ccccc2)c1 345028930 MIGVVZMBFIQEBD-CQSZACIVSA-N 293.370 3.804 30 20 CHED C=C(C)CCc1noc(-c2cncnc2-c2ccccc2)n1 347225271 FFSUPTNYOAYTPA-UHFFFAOYSA-N 292.342 3.702 30 20 CHED C=CCN(C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1)C1CC1 347908695 HJAHISSTCNTOHZ-KBMXLJTQSA-N 279.424 3.537 30 20 CHED C=CCOCCCN(C)[C@H](C)c1ccc(F)c(F)c1 347971722 XYQQHYISMPBKLO-GFCCVEGCSA-N 269.335 3.550 30 20 CHED N#Cc1cc2c(nc1N[C@H]1CCc3cc(F)ccc31)CCC2 352686685 OTTSYGDAFZNVKP-KRWDZBQOSA-N 293.345 3.680 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccnc(-c2ccccc2)c1 353502350 GSGQCSSXBLNFLQ-UHFFFAOYSA-N 279.343 3.627 30 20 CHED C=CCCCc1nc([C@H]2CCc3ccccc32)no1 356599422 PLZXKMHJNOQYRT-AWEZNQCLSA-N 254.333 3.656 30 20 CHED N#Cc1ccc(C(=O)O)nc1/C=C\c1ccsc1Cl 358691096 WVMGALGOWCRFBC-IWQZZHSRSA-N 290.731 3.537 30 20 CHED C=CCC1(C(=O)N[C@H](C)c2ccncc2CC)CCC1 359904501 SWTHZTCXEASAEM-CYBMUJFWSA-N 272.392 3.568 30 20 CHED N#Cc1cc(F)ccc1CN1Cc2ccccc2C2(CC2)C1 360706947 FMIVFQBRHPBPOB-UHFFFAOYSA-N 292.357 3.745 30 20 CHED C=CCN(CCOC)C(=O)Nc1cccc2ccsc12 361983792 PRNGXRXNJKXIBY-UHFFFAOYSA-N 290.388 3.568 30 20 CHED N#CCc1ccccc1NC(=O)c1ccoc1C(F)(F)F 362195430 UBDULIJSOIMQDC-UHFFFAOYSA-N 294.232 3.617 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]2C1 362820360 MXCAZBQCZDZWRO-KBPBESRZSA-N 287.428 3.837 30 20 CHED C=C(Cl)CNC1CC(c2cc(F)cc(F)c2)C1 377547773 DGPRXABOEBTKLW-UHFFFAOYSA-N 257.711 3.553 30 20 CHED CCC1(CC)CCC(NC(=O)N2CCC(C#N)CC2)CC1 408298917 RKIHAMOMAGXUMA-UHFFFAOYSA-N 291.439 3.681 30 20 CHED CC(C)[C@@H](NCCC1(C#N)CCCCC1)C1(CO)CCC1 411767087 DTUDJNPVAWRZSN-MRXNPFEDSA-N 292.467 3.627 30 20 CHED CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCCC1 412400473 KACFNIDBZWLYAE-KSZLIROESA-N 296.414 3.747 30 20 CHED N#CC1(CC[S@@](=O)c2ncccc2Cl)CCCCC1 414227070 CKNTWPBVKSOPCP-LJQANCHMSA-N 296.823 3.707 30 20 CHED CC(C)CC[S@@](=O)CCC1(C#N)CCCCC1 414230661 BFSYHWBXTRROSC-QGZVFWFLSA-N 255.427 3.645 30 20 CHED CCCC1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 416114494 YQFAYGREARBYSW-MRXNPFEDSA-N 282.387 3.632 30 20 CHED CC(C)c1cccc(NC(=O)NCC2(C#N)CCC2)c1 416841068 PWJOELFUHLXJOC-UHFFFAOYSA-N 271.364 3.625 30 20 CHED COC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C1CCCC1 417355666 BAULTBICIGKLCG-RBUKOAKNSA-N 298.430 3.730 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)N1CCc2c(C#N)cccc21 421658148 ROPPYKAJERDHLR-XJKSGUPXSA-N 282.387 3.664 30 20 CHED C=C(C)C(C)(C)C(=O)NC[C@@H](C)c1ccc(F)cc1 424594581 FYMUASVOTAYVDH-GFCCVEGCSA-N 263.356 3.648 30 20 CHED C=C(C)C(C)(C)C(=O)NCCC1CC(OC(C)(C)C)C1 424806891 IXMXYVCONDEQSZ-UHFFFAOYSA-N 281.440 3.689 30 20 CHED CC(C)n1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)n1 425532666 JNDGSGRBPAOHOQ-CQSZACIVSA-N 282.391 3.529 30 20 CHED CC(C)(C#N)c1ccccc1CN1CC[C@H]2CCC[C@H]21 426455501 SUVDGIKJZHBWTB-RHSMWYFYSA-N 268.404 3.862 30 20 CHED N#Cc1c(F)cccc1CN1CCC[C@H]2CCCC[C@H]21 428307995 XIZQRWWERIGCPF-CXAGYDPISA-N 272.367 3.852 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnc2ccccc2c1 431740558 HIJNTCDWIONCTD-UHFFFAOYSA-N 254.333 3.776 30 20 CHED N#Cc1cccc(C2(C(=O)NCCC3CCCCC3)CC2)c1 435033480 ASMIAVSPMVCXAS-UHFFFAOYSA-N 296.414 3.676 30 20 CHED C[C@@H]1CC(NC(=O)C2(c3cccc(C#N)c3)CC2)C[C@@H](C)C1 435086608 NGDDGLWESSOAHG-KBPBESRZSA-N 296.414 3.531 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCSc2ccccc21 436297386 XORPSJIRLRWHKL-LXZKKBNFSA-N 289.444 3.794 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCc2c(C)cccc21 436311351 WYSXVVUMTOPGEA-OLMNPRSZSA-N 271.404 3.553 30 20 CHED CCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(C)c1 442852299 HJVMXIYTBFGLEJ-GOEBONIOSA-N 272.392 3.566 30 20 CHED N#Cc1cc(NCC#Cc2ccc(Cl)cc2)ccc1F 443545363 YUQJTUGBIVQIMB-UHFFFAOYSA-N 284.721 3.814 30 20 CHED Cc1cc(CNc2cccc(-c3nnco3)c2)ccc1C#N 444003957 PCOQFNCDHMKTBA-UHFFFAOYSA-N 290.326 3.529 30 20 CHED Cc1cc(C(=O)Nc2ccccc2SCCC#N)ccn1 447470537 KHQDQOZULHLERO-UHFFFAOYSA-N 297.383 3.648 30 20 CHED CC[C@H](NCCOCCC(C)C)c1ccc(C#N)cc1 447564351 WSXWUVUVUCZQRA-KRWDZBQOSA-N 274.408 3.662 30 20 CHED N#CCCN(CCC#N)Cc1cc(Cl)sc1Cl 449254671 XXIRUFUAPNPXER-UHFFFAOYSA-N 288.203 3.684 30 20 CHED C=CC(C)(C)CN[C@@H](C)CC(=O)Nc1ccccc1CC 449485544 NRBOTQWQAYBILY-AWEZNQCLSA-N 288.435 3.768 30 20 CHED C=CCC1(CNC2CCN(c3ccccn3)CC2)CCCC1 449604051 IWVWCGCAFIICLB-UHFFFAOYSA-N 299.462 3.777 30 20 CHED C=C(CC)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 449733738 JMNATXLRAJWUOS-MDWZMJQESA-N 260.337 3.554 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2cn(C(C)C)nc2c1 449914460 UUNPEGIBOQUPNQ-UHFFFAOYSA-N 271.364 3.768 30 20 CHED CC1(C)CN(CC2(C#N)CCC2)C[C@@H]1c1ccccc1 450591346 XBGGBQBEFUVVJE-MRXNPFEDSA-N 268.404 3.806 30 20 CHED C=C[C@@H]1OCC[C@H]1Nc1cc(C)nc2c(F)c(F)ccc12 450754439 HRBCGNDQMMFJQM-OCCSQVGLSA-N 290.313 3.577 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1nnc(C2CC2)s1 450891223 YVZCGXUAFZJEEW-UHFFFAOYSA-N 299.443 3.994 30 20 CHED C[C@@H]1C[C@H](c2ccccc2)CCN1CC1(C#N)CCC1 450899408 DHVLRPGQOXXHRA-NVXWUHKLSA-N 268.404 3.948 30 20 CHED CC(C)CC(CC(C)C)C(=O)N1CCC(F)(C#N)CC1 451668945 MCTCCRVEWPYFIO-UHFFFAOYSA-N 282.403 3.549 30 20 CHED CCC[C@@H](C)C(=O)Nc1ccc(CC#N)cc1Cl 452649063 SQEGOTYPPYIREA-SNVBAGLBSA-N 264.756 3.781 30 20 CHED CCCn1ncc(NCC#Cc2ccc(F)cc2)c1C1CC1 453156579 XDMGXVFAROGLKW-UHFFFAOYSA-N 297.377 3.773 30 20 CHED C=C(C)CN(CC)C(=O)CNc1ccccc1C(C)(F)F 453165064 UNCPSZZEWLFWTN-UHFFFAOYSA-N 296.361 3.635 30 20 CHED C=CCCCc1nc([C@H](Cc2ccccc2)OC)no1 453223673 LVFNIZACHJWMNL-AWEZNQCLSA-N 272.348 3.509 30 20 CHED C=CC(C)(C)CNC(=O)Nc1cccc(F)c1Cl 455411656 BGPXKQQDWVOIEW-UHFFFAOYSA-N 270.735 3.813 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 456428099 MTAZJBCQNSGQCP-ZBEGNZNMSA-N 297.320 3.810 30 20 CHED Cc1c(Cl)cc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1Cl 460066972 MIUGBLOFFNZBTJ-FUXBKTLASA-N 283.158 3.790 30 20 CHED C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 460956887 JHCFZKAZKSFZLY-CABCVRRESA-N 290.455 3.678 30 20 CHED Cc1ccc(O[C@H](C)CNc2ccc(F)cc2C#N)cc1 463071359 LTJKVFXZNXFVRP-CYBMUJFWSA-N 284.334 3.885 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@](C)(CC)C2)cc1 464586096 HKQHYLPYERSSIW-SFHVURJKSA-N 287.403 3.904 30 20 CHED C=C(C)[C@H](CC(=O)N1CC(C)(C)CC(C)(C)C1)OCC 466399544 OKLPPTLYLISJTQ-AWEZNQCLSA-N 281.440 3.642 30 20 CHED C=CC[C@H](CC)NCc1nc2c(s1)C[C@@H](C)CC2 466402398 VRVQZKCXGRVPEV-RYUDHWBXSA-N 264.438 3.712 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc2ccc(F)cc2n1CC 467924214 IADRPZIVWCOWRK-MRXNPFEDSA-N 289.354 3.736 30 20 CHED C=CCN(C[C@@H](C)Cc1ccc(OC)c(F)c1)C1CC1 470309303 QCFCVJALPAACMS-ZDUSSCGKSA-N 277.383 3.663 30 20 CHED C=CCOc1ccccc1C(=O)N1CCC[C@H](C(C)C)C1 474394333 HRNQAZOYDAYOPP-HNNXBMFYSA-N 287.403 3.760 30 20 CHED C=CCOCCCS[C@H](C)c1nc(C(C)(C)C)no1 479586379 SYMUEHNWGOJEGZ-LLVKDONJSA-N 284.425 3.754 30 20 CHED Cc1nc(N(C)[C@@H](C)c2c(F)cccc2F)ccc1C#N 488083294 PPOUPXHMLORNAD-NSHDSACASA-N 287.313 3.737 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C)c(C)c1 488578604 GNYIMZOARMFEEL-UHFFFAOYSA-N 254.333 3.543 30 20 CHED C=CC[C@H](C(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 488714333 FDDZOTPZIJNLNM-DKIMLUQUSA-N 283.415 3.899 30 20 CHED C=CC[C@H](C(=O)N1CC[C@@](C)(CC)C1)c1ccccc1 489713428 ALVQXQLICXQJQC-FUHWJXTLSA-N 271.404 3.995 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(F)c(Cl)c1 490060231 OQITXMWKNKBMDN-UHFFFAOYSA-N 269.747 3.811 30 20 CHED C#C[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1F 491231855 WLOWYYPOGCWYHC-KRWDZBQOSA-N 298.748 3.815 30 20 CHED C#C[C@H](C)N(C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 491731676 JABIGJPDGRFCTN-NSHDSACASA-N 288.778 3.757 30 20 CHED C=C(C)CN(CC)C(=O)C/C=C\c1ccccc1F 495198190 ZPGOSLIBCKJJMW-CLFYSBASSA-N 261.340 3.654 30 20 CHED CCCC1(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CCC1 505790273 MALUJTGWRJBEIQ-AWEZNQCLSA-N 290.794 3.991 30 20 CHED C=CCn1c(-c2ccccc2C)nnc1N(C)CCC1CC1 508918197 LSIOTLCBXKRXAE-UHFFFAOYSA-N 296.418 3.676 30 20 CHED CO[C@@H](C)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 513253006 RTYMESUCXNOZEQ-HNNXBMFYSA-N 294.398 3.692 30 20 CHED N#Cc1cnc(N2CCC[C@@H]2C2CCCC2)c(Cl)c1 513621768 YPOZLKXVCONJEE-CQSZACIVSA-N 275.783 3.766 30 20 CHED Cc1ccc2ncc(C#N)c(O[C@H]3CCC(C)(C)C3=O)c2c1 517323362 DNVRYJKZGVEVTQ-HNNXBMFYSA-N 294.354 3.551 30 20 CHED C=CCCO[C@@H](C)C(=O)N(CC)c1cc(C)cc(C)c1 520659273 DPPAYVLDIYBELK-HNNXBMFYSA-N 275.392 3.638 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CCCC2CCCC2)C1 525197169 URLMCTHRASBHOA-PBHICJAKSA-N 276.424 3.936 30 20 CHED C/C(Cl)=C/CN1CC=C(c2ccc(C#N)cc2)CC1 528428408 FBZMCCVVNVQMDM-MLPAPPSSSA-N 272.779 3.790 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCc3ccccc32)c(F)c1 533311719 GRXASPWGQFBIHR-INIZCTEOSA-N 294.373 3.907 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)N(C)c1ccc(C#N)cc1 533502064 QSIRYXBKMSAPEN-ZFWWWQNUSA-N 270.376 3.737 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](CC1CCCC1)C(C)C 537726597 YCSVBPYMCGXEMI-LSDHHAIUSA-N 264.413 3.647 30 20 CHED C=CCCC[C@H](C)NC(=O)NCc1ccc(Cl)cc1 538285937 MNXICJVPYASDNE-LBPRGKRZSA-N 280.799 3.884 30 20 CHED C=CC[C@H](CC)NC(=O)NCCCn1ccc2ccccc21 538501839 ICXDSKSSRXCNFV-INIZCTEOSA-N 299.418 3.685 30 20 CHED C=C(CC)CNc1ccccc1CN1C[C@H](C)O[C@H](C)C1 539095702 JOUWTVAKUIAJGM-IYBDPMFKSA-N 288.435 3.674 30 20 CHED CC[C@@H](CN(CC#N)C1CCCC1)c1ccccc1 539826172 BJRIVJPKLXMHHV-HNNXBMFYSA-N 256.393 3.948 30 20 CHED Cc1c(Cl)cnc(N2CCC[C@H]2c2ccccn2)c1C#N 542279556 LBXBUHCZQJZNKM-HNNXBMFYSA-N 298.777 3.652 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)N1CCC(CC#N)CC1 542848979 CJJJPTRAJVPHOM-CYBMUJFWSA-N 279.428 3.536 30 20 CHED CCC(CC)[C@@H](NC(=O)NC[C@@H](C)C#N)c1cccs1 543805331 FKMXWSVSLFSCTD-SMDDNHRTSA-N 293.436 3.684 30 20 CHED CC(C)CCc1noc([C@@H](C)Oc2ccc(C#N)cc2)n1 544824081 ULSQTGVAQSTOQF-GFCCVEGCSA-N 285.347 3.670 30 20 CHED C=CCN(CCOC)c1nc(-c2ccccc2F)cs1 549181151 DXUIRCUBQKDVND-UHFFFAOYSA-N 292.379 3.588 30 20 CHED C=CCC[C@H](NC[C@@](C)(O)[C@@H](C)CC)c1ccco1 552043765 BDSDASUEANMPTP-OFQRWUPVSA-N 265.397 3.674 30 20 CHED C=CCN(CC=C)[C@H](C)C(=O)Nc1cccc(Cl)c1C 552503853 SRIWKBDTNQBJED-CYBMUJFWSA-N 292.810 3.649 30 20 CHED C=C(CC)CNc1ccc(C(=O)NC(C)(C)C)cc1 557308261 MPUQLBVRQDJJJS-UHFFFAOYSA-N 260.381 3.593 30 20 CHED C=C(CC)CN1CCc2cc(OC)c(Cl)cc2C1 559450301 HZBIFSBAXZYQCT-UHFFFAOYSA-N 265.784 3.673 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1oc2ccccc2c1C 560098509 UBNVLBIUSVMIAA-YUELXQCFSA-N 299.370 3.510 30 20 CHED CC(C)(c1cc(F)cc(C#N)c1)c1nc(CCC2CC2)no1 564685962 RKRBTOJDGSLFIP-UHFFFAOYSA-N 299.349 3.749 30 20 CHED CC1(C)CCCN(C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1C#N 565932143 QZLQTBMAHBDTLP-GVDBMIGSSA-N 268.404 3.804 30 20 CHED Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)cn2)c1C 566951149 JVVLVFGPUVDYNC-LJQANCHMSA-N 291.398 3.907 30 20 CHED N#Cc1ccc(NC(=O)[C@]23CCC[C@H]2C3)cc1C(F)(F)F 567342797 AWHSGKJDIJIBGY-HZMBPMFUSA-N 294.276 3.706 30 20 CHED Cc1ccc(CN(C)CCOCc2ccc(C#N)cc2)cc1 567958644 UIZJHSVCZDONTQ-UHFFFAOYSA-N 294.398 3.515 30 20 CHED C=CCN(Cc1cccs1)C(=O)C(C)(C)C1CC1 572753368 MAPFUTCQRDCJQG-UHFFFAOYSA-N 263.406 3.699 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccncc2N2CCCC2)no1 577305391 MBHAXCZIHYHEJT-KRWDZBQOSA-N 298.390 3.586 30 20 CHED N#C[C@H]1CC[C@@H](NCCOc2cccc(Cl)c2Cl)C1 578287243 RVDKCQPQXIKSGJ-WDEREUQCSA-N 299.201 3.654 30 20 CHED C=CCCCCNc1cc(F)c(C(=O)OC)c(F)c1 579317338 CZHSCBCKNLJWGZ-UHFFFAOYSA-N 269.291 3.520 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@H]2c2ccccc2)C1 581298592 CPMFVHYYMQJMQN-PQEBFOHHSA-N 254.377 3.605 30 20 CHED CC[C@@H]1CN(c2cc(C#N)ccn2)CC[C@H]1c1ccccc1 583862990 DJMAXYRPHPKAKQ-SJLPKXTDSA-N 291.398 3.973 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)CC/C1=C\c1ccc(F)nc1 588523442 CXJDBFIKKWSDCW-FNCQTZNRSA-N 298.292 3.585 30 20 CHED O=C1/C(=C\c2sccc2Cl)CCc2nc(O)ccc21 588601131 JSQFBSVKVNSBSP-FPLPWBNLSA-N 291.759 3.715 30 20 CHED CCC[C@@H]1CCCCN1C(=O)CCCCCC#N 588677976 OWWFYPRNCAYXIO-CQSZACIVSA-N 250.386 3.642 30 20 CHED C[C@H](NC(=O)[C@@]1(C)CCC[C@@H]1C)c1cccc(C#N)c1 590676071 XPRIYWGJBSWICG-DCGLDWPTSA-N 270.376 3.562 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)N1CCC(CC#N)CC1 591335603 UBTQDMWWOKWEBN-GJZGRUSLSA-N 291.439 3.536 30 20 CHED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 592612710 FFCYNXXBYZEDHG-UMPJEAMMSA-N 276.424 3.647 30 20 CHED COc1ccc(-c2ccccc2C2(C#N)CC2)cc1OC 592986292 ZDYNEMXUDNAAFC-UHFFFAOYSA-N 279.339 3.926 30 20 CHED C[C@H]1CCCC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 593968092 LVLUWERZTXWEHW-DAYGRLMNSA-N 298.430 3.679 30 20 CHED N#CCc1ccnc(NC(=O)CCC2CCCCCC2)c1 593995360 XVOHLRPNQZCUCC-UHFFFAOYSA-N 285.391 3.837 30 20 CHED CC[C@@H](CSc1nnc(C)c(C)c1C#N)CC(F)F 594892058 WAXFGAQCGBEKDT-SNVBAGLBSA-N 285.363 3.739 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2cc(F)ccc2OC(F)F)C1 595094004 RUDWJGCMAJJPSO-ZWNOBZJWSA-N 298.308 3.599 30 20 CHED CCCOc1cncc(-c2ccc(OCCC#N)cc2)c1 596638504 XGMNLDJSQFWHMB-UHFFFAOYSA-N 282.343 3.830 30 20 CHED CC(C)c1ccc(NC[C@H](O)CC(C)(C)C#N)cc1 598726862 WHBCXDQZQKOSQS-OAHLLOKOSA-N 260.381 3.523 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H](C)c1ccco1 599326007 PHGORKFNMYFMDO-CQSZACIVSA-N 276.380 3.562 30 20 CHED C=CC1CCN(C(=O)N[C@@H](CC)C2CCCCC2)CC1 600867575 NMVPTRPHJNHANW-INIZCTEOSA-N 278.440 3.953 30 20 CHED C[C@@H](CCC#N)CNCc1ccc(OC(F)(F)F)cc1 602508729 WWVRJJLDPOXRNH-NSHDSACASA-N 286.297 3.615 30 20 CHED CC[C@H](CNC[C@H](C)CCC#N)Oc1cccc(F)c1 602561124 CWMSYKBJNRTZGF-UKRRQHHQSA-N 278.371 3.513 30 20 CHED C[C@H](CCC#N)CNC(C)(C)CCN1CCCCCC1 602617784 AGEDDDHILHOAPD-MRXNPFEDSA-N 279.472 3.561 30 20 CHED CC(C)[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1 602780841 AHGNEEZBKSSWDN-HNNXBMFYSA-N 260.356 3.806 30 20 CHED CCSCc1ccc(C(=O)N(CCC#N)C(C)C)cc1 608814290 IPMOGQHHNPNPJE-UHFFFAOYSA-N 290.432 3.704 30 20 CHED CC(C)C[C@H](C#N)NC(=O)C[C@@H](c1ccccc1)C(C)C 609129484 AHXMYKHRYZSNKF-IAGOWNOFSA-N 286.419 3.871 30 20 CHED CC(C)CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609985678 JEUMMFSZSPFQAD-UHFFFAOYSA-N 293.370 3.688 30 20 CHED N#CCC[C@@H](NCc1ccc(O)cc1)c1ccccc1 611526508 XTWDDCGKCQWQLN-QGZVFWFLSA-N 266.344 3.527 30 20 CHED Cc1ccc(OC(F)F)c(CN2CCC[C@@](C)(C#N)C2)c1 612406837 VJQYHGYFIITZSM-INIZCTEOSA-N 294.345 3.722 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)Cc1cc2ccccc2o1 615925988 HWBHVQLFKRAADW-UHFFFAOYSA-N 298.386 3.906 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2F)C1 617784579 UMWYIUGMOXZRST-LSDHHAIUSA-N 289.394 3.819 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)c2ccsc2)C1 617784688 XOBPQORJVGTNCG-QWHCGFSZSA-N 263.406 3.666 30 20 CHED N#Cc1cc(Nc2ccc(NC3CCCCC3)cc2)ncn1 617947374 ZEGWCKXEVJXYMY-UHFFFAOYSA-N 293.374 3.836 30 20 CHED C=CCC1(NC(=O)c2cc(C)cc(Cl)c2)CCOCC1 618248318 BQIHYNKKJJKZCO-UHFFFAOYSA-N 293.794 3.504 30 20 CHED COc1cc(SC)ccc1N[C@@H](C#N)Cc1ccccc1 618447866 SRRBFEZNCQWSJN-CQSZACIVSA-N 298.411 3.964 30 20 CHED C=C(C)CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618449842 JKTDCZSBVPJNFI-IUCAKERBSA-N 275.236 3.625 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccccc1F 618667551 FKCRAEUTYHFMSP-OAHLLOKOSA-N 295.317 3.506 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NC[C@H]1C[C@H]2CC[C@H]1C2 618742281 LXJXAKLQPCRQLC-BMGTVUPLSA-N 266.388 3.571 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCO[C@@H](CC)C2)CCCC1 619111378 VUDGBVCQXFFLNA-GJZGRUSLSA-N 279.424 3.587 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 620600573 NCQPURYHHCFLSP-GOEBONIOSA-N 287.403 3.577 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@@]2(C)C[C@H]3CC[C@H]2C3)C1 628062398 FHQNEQQRHJUOQC-JKQORVJESA-N 261.409 3.627 30 20 CHED C=CCc1ccccc1OCC(=O)N(C1CCCC1)C1CC1 642094410 KORSJYSLFAENQO-UHFFFAOYSA-N 299.414 3.728 30 20 CHED C=C(C)Cn1c(C)nnc1N1CC[C@H](C2CCCCC2)C1 669303543 JWVBFYFTZXRHLS-INIZCTEOSA-N 288.439 3.569 30 20 CHED O=C(NO)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 671997599 HJFKBSITVRYSAT-UHFFFAOYSA-N 298.729 3.674 30 20 CHED C=C(C)CCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 681404808 JGHKBPNQSOGPCM-IUCAKERBSA-N 275.236 3.625 30 20 CHED C[C@@H](Nc1ccc(C#N)nc1)c1ccc(Cl)c(F)c1 690493121 WMHDIPLIKCNKND-SECBINFHSA-N 275.714 3.919 30 20 CHED COc1ccc(O)c(/C=N\CC2(c3ccccc3C)CC2)c1 726429134 JNUZNCVGDYOGDV-NDENLUEZSA-N 295.382 3.860 30 20 CHED C=C(C)CNC(=S)N1CCC[C@@H](c2ccccc2)CC1 727288696 GUOPXBHXFNGQLK-MRXNPFEDSA-N 288.460 3.707 30 20 CHED C#Cc1cccc(N(C(=O)C[C@H](C)C2CC2)C(C)C)c1 728245804 IYMVNQFHRNAKQY-AWEZNQCLSA-N 269.388 3.846 30 20 CHED C[C@H](C#N)Oc1ccc(CN[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 728713195 TUEHEAKFIMARLV-ZGDBMJCWSA-N 298.430 3.892 30 20 CHED CC(C)(C)CN(CCC#N)C(=S)Nc1ccccc1 729650283 OESMJLNFRILTFP-UHFFFAOYSA-N 275.421 3.645 30 20 CHED CSc1ccc(C=NN=c2cc[nH]c3ccccc23)cc1 730148098 ODPHXIHEITZRRR-UHFFFAOYSA-N 293.395 3.825 30 20 CHED C=CCOC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 730881325 YQJNTXHXSZLWNK-JKSUJKDBSA-N 252.313 3.673 30 20 CHED CC[C@@H](OC(=O)CNc1ccc(C#N)cc1)c1ccccc1 733462448 UBNOESQLWYAPQV-QGZVFWFLSA-N 294.354 3.665 30 20 CHED O=C(/C=C\c1cc2cc(F)ccc2o1)c1cccnc1 741840283 NGRDUFGJBSNVOX-PLNGDYQASA-N 267.259 3.863 30 20 CHED CCCCCCCOC(=O)c1ccc2c(c1)COC2 747532231 JRLOEXJOEXKJAA-UHFFFAOYSA-N 262.349 3.844 30 20 CHED Cc1cc(C#N)ccc1COC(=O)[C@H]1CCC[C@H](C)C1 748921395 GOPOFFKUKNVVDW-WFASDCNBSA-N 271.360 3.736 30 20 CHED CC(C)=CCCC(C)=NNc1cc(Cl)nc(C)n1 749164134 FPAQXCAENDHKRX-UHFFFAOYSA-N 266.776 3.973 30 20 CHED C#CCN(CC)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 749227996 OHXFBZHQXVVKKP-UHFFFAOYSA-N 297.402 3.784 30 20 CHED CCC(=NNc1ccc(F)cc1C)C1CCOCC1 750939162 WJGYTYSVWFDAQY-UHFFFAOYSA-N 264.344 3.739 30 20 CHED C=CCNC(=S)N[C@@H](c1ccccc1C)C(C)(C)C 751037974 XORNYFGVSJKZAA-AWEZNQCLSA-N 276.449 3.732 30 20 CHED CCCCCCCCC/C=C/C(=O)N[C@@H]1CCOC1 752419913 VUZHKGARWXYXGP-AUECHBEKSA-N 267.413 3.588 30 20 CHED Cc1cc(C=NNc2ccc(Cl)cc2)c(C)n1C 754900543 JKEOJSRSRQWROR-UHFFFAOYSA-N 261.756 3.741 30 20 CHED O=C(/C=C\c1ccc(O)c(F)c1)c1ccccc1F 755568367 AEAASONVNSGFQK-ALCCZGGFSA-N 260.239 3.567 30 20 CHED N#Cc1cccc(NN=Cc2ccc(F)c(Cl)c2)c1 755625444 PKHXBXKEDYCSGQ-UHFFFAOYSA-N 273.698 3.797 30 20 CHED Cn1cc(C=NNCc2cc(F)ccc2F)c2ccccc21 755651490 VBTGIJJNZOMBSD-UHFFFAOYSA-N 299.324 3.580 30 20 CHED C(=NO[C@@H]1CCCCO1)c1ccc(N2CCCCC2)s1 755822823 VLCMINOELIYQAX-OAHLLOKOSA-N 294.420 3.616 30 20 CHED C#CCCCC(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 758498814 WPDNHLOWFWJUGC-ZWKOTPCHSA-N 283.415 3.893 30 20 CHED CC[C@]1(C)CCN(C(=O)c2ccccc2SCC#N)C1 758671360 PHRKGXDANPNNKY-MRXNPFEDSA-N 288.416 3.564 30 20 CHED CC(C)Oc1ccc(OC(=O)c2ccc(CC#N)cc2)cc1 759129727 OWVQICOXAPZJBT-UHFFFAOYSA-N 295.338 3.759 30 20 CHED C#CCCCC(=O)OCC(=O)c1ccc(CCCC)cc1 759198102 RWFPWMHTCDXZOD-UHFFFAOYSA-N 286.371 3.559 30 20 CHED CC(C)(C)C1=CCN(C(=O)/C=C/c2ccccc2C#N)CC1 759855979 NQHACAUBPQXHIS-CMDGGOBGSA-N 294.398 3.776 30 20 CHED C=C(Cl)CNC(=O)Nc1cccc(C(F)(F)F)c1C 761654171 DGEVJZDZOGJIJZ-UHFFFAOYSA-N 292.688 3.888 30 20 CHED C#CC[C@H](NC(=O)[C@@H](C)C(CC)CC)c1ccccc1 761782558 KMTYVDIJZLZUPH-YOEHRIQHSA-N 271.404 3.940 30 20 CHED C#CCCCCc1nc([C@@H]2CCc3ccccc3C2)no1 762244238 PBEZTAVEOALPQJ-MRXNPFEDSA-N 280.371 3.688 30 20 CHED C[C@@H]1CC/C(=C/C(=O)N(C)c2cc(Cl)ccc2C#N)C1 764274011 VGQNBZSBCIZXMI-HQQGHWSLSA-N 288.778 3.921 30 20 CHED CCCCCCCCC(=O)OC[C@@H]1CCCOC1 766299121 DDEPOFVJPSHKCM-CQSZACIVSA-N 256.386 3.707 30 20 CHED Cc1cc(/C=C\C(=O)c2csc(C(=O)O)c2)ccc1C#N 766491528 POMWZLCLUKLONW-HYXAFXHYSA-N 297.335 3.523 30 20 CHED CC(=NN=C1C[C@@H](C)c2c(C)cccc21)c1cnccn1 766705593 LMGMIDGUGBGGBM-GFCCVEGCSA-N 278.359 3.506 30 20 CHED C#C[C@@H](C)N(C)C(=O)c1cc2c(Cl)cccc2s1 767253032 USCSOXZXYWMSNR-SECBINFHSA-N 277.776 3.648 30 20 CHED C[C@H]1CCC(=NNc2cc(C#N)cc(Cl)n2)C[C@@H]1C 767386579 SUNKWLUVGBMRNT-UWVGGRQHSA-N 276.771 3.831 30 20 CHED FC(F)(F)CON=CC1CCC(C(F)(F)F)CC1 767388684 VDQBLUKQNXBFFE-UHFFFAOYSA-N 277.208 3.920 30 20 CHED C#C[C@@H](CC)OC(=O)c1cccc(-c2nc(C)cs2)c1 768043112 FEYPCABZCFRRSJ-AWEZNQCLSA-N 285.368 3.687 30 20 CHED C=CCN(C(=O)N[C@H]1CCCc2sccc21)C(C)C 768516249 BATGXGSBHMADGC-ZDUSSCGKSA-N 278.421 3.732 30 20 CHED C[C@@H](OC(=O)[C@@H](F)c1ccccc1)c1cccc(C#N)c1 769294617 RPQFEYBMHGLCTB-WBMJQRKESA-N 283.302 3.873 30 20 CHED CCC(=NNCc1ccc(C#N)cc1)c1ccc(F)cc1 769821324 WINYNIIMBOGUJQ-UHFFFAOYSA-N 281.334 3.601 30 20 CHED Cn1ccc(/C=C\C(=O)c2cc(Cl)sc2Cl)n1 773148867 FFNKBUDBSPMSJA-IHWYPQMZSA-N 287.171 3.685 30 20 CHED CC1=CCC[C@H](C)[C@@H]1C=NNc1cc(C#N)cc(Cl)n1 773207815 MAJJTCJKLQMOEW-WCQYABFASA-N 288.782 3.997 30 20 CHED C=CCC[C@H](CC)NCc1cccc(Br)c1O 775146776 QKSQOBDIRZTRHI-LBPRGKRZSA-N 298.224 3.989 30 20 CHED C#CCOc1ccccc1NCc1ccc(F)c(C)c1 775361527 PTTBGUUUGKZFFV-UHFFFAOYSA-N 269.319 3.758 30 20 CHED C=CC[C@H](NC(=O)N1CC[C@H](C)[C@@H]1CC)c1ccncc1 776150961 VNXVWURIRNZDGA-BPUTZDHNSA-N 287.407 3.529 30 20 CHED Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(C#N)cc1 776154544 AGXIJVMWBXRISI-OAHLLOKOSA-N 293.414 3.784 30 20 CHED Cc1c(C(=O)OCCC(C)(C)C#N)oc2c(F)cccc12 776368240 RANSCFUFDZTDHF-UHFFFAOYSA-N 289.306 3.977 30 20 CHED C[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)c1cccs1 776385413 DRVAXPSQGLCZMC-YPMHNXCESA-N 277.389 3.867 30 20 CHED C[C@H](CCOc1ccccc1)C(=O)OCCC(C)(C)C#N 776390122 DAQBIPAOKOMPPD-CQSZACIVSA-N 289.375 3.575 30 20 CHED N#Cc1ccc(C(=O)OCc2ccc(F)cc2)cc1Cl 777407934 NEFFQBRFHRKZDW-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C[C@@H](NCc1ccc(CF)cc1)c1cccc(C#N)c1 777722804 VJERGRPIYHEWNO-CYBMUJFWSA-N 268.335 3.879 30 20 CHED CCCCC(=O)OCc1ccc(C#N)cc1Br 778076819 DKUGPPYZNLXPQY-UHFFFAOYSA-N 296.164 3.554 30 20 CHED CC(=NNc1ccc(Br)cc1)[C@@H]1CCCOC1 779768224 JIIFVSYJTSSDCG-LLVKDONJSA-N 297.196 3.664 30 20 CHED COc1cccc(NN=C(C)c2ccc(Cl)s2)n1 779816074 ABRSOCZJMKWPNS-UHFFFAOYSA-N 281.768 3.641 30 20 CHED CC1(C)C[C@@H](NN=C2CCCCCCC2)CCO1 780241363 OQNIMBKWZOXIHU-AWEZNQCLSA-N 252.402 3.634 30 20 CHED COc1ccc(NN=C(c2ccccc2C)C2CC2)nc1 780265403 GMSIXJSFRAGKTL-UHFFFAOYSA-N 281.359 3.625 30 20 CHED C=CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CCC2 782486258 TWEWPVDUQXEMIP-UHFFFAOYSA-N 289.375 3.745 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(F)cc1 785861613 HREQKOOGZYFQNT-BBRMVZONSA-N 275.367 3.571 30 20 CHED COc1cc(NN=Cc2ccc(O)c(F)c2)ccc1Cl 788472539 WQYRFZIKUXZJRF-UHFFFAOYSA-N 294.713 3.639 30 20 CHED C[C@@H]1CCC(=NNCCc2ccccn2)c2ccccc21 789113519 VFVYBYHVUGTELQ-CQSZACIVSA-N 279.387 3.515 30 20 CHED Cc1cccnc1NN=Cc1ccccc1OC(F)(F)F 790191075 QOKNMAUKUKZOFD-UHFFFAOYSA-N 295.264 3.735 30 20 CHED Cc1ccc(CCCNc2ccccc2O[C@@H](C)C#N)cn1 793065305 JVVGBFPPWFQQQB-HNNXBMFYSA-N 295.386 3.726 30 20 CHED CC1(CNN=Cc2ccc(F)c(C#N)c2Cl)CCCC1 793081192 IFOIESLMAPHHTE-UHFFFAOYSA-N 293.773 3.855 30 20 CHED CCn1nc(C=NNCC2(C)CCCC2)c2ccccc21 793082439 YDJNENRBCDEFPQ-UHFFFAOYSA-N 284.407 3.560 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2cc(C)ccc2C)[C@H]1C 794478968 BUWCRFQFPZHHRE-KBPBESRZSA-N 288.391 3.681 30 20 CHED C(=NOCc1ccccc1)c1ccc2occc2c1 794888220 MWCLLFXPGUYQSE-UHFFFAOYSA-N 251.285 3.984 30 20 CHED O=C(/C=C\c1ccc(C(F)F)cc1)c1ccncc1 794928547 YARNDFBHVCVTPH-UTCJRWHESA-N 259.255 3.915 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)CCc2ccc(O)cc21 794960185 NIUKDKACEBPRPZ-WEVVVXLNSA-N 291.759 3.715 30 20 CHED COc1ccc([C@@H](C)C(C)=NNc2cccc(F)n2)cc1 795006180 FUDWIUOQEGMGMC-NSHDSACASA-N 287.338 3.821 30 20 CHED C#CCC(C)(C)C(=O)OC[C@@H](OC(C)C)c1ccccc1 795528695 IWLILSLCORTOGC-MRXNPFEDSA-N 288.387 3.745 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cccs1 797278734 PJOJXOZABMFFLU-VURMDHGXSA-N 258.342 3.961 30 20 CHED C=CCOCCOC(=O)C1(c2cccc(Cl)c2)CCC1 797306014 MGRJZTBZMKFCMZ-UHFFFAOYSA-N 294.778 3.508 30 20 CHED CC#CC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 801142652 KBSMERCOXNJYSZ-CQSZACIVSA-N 283.396 3.861 30 20 CHED C[C@H](C#N)OCCS[C@H](C)c1cccc(F)c1 802749394 BMHUWSLHFOIEAO-GHMZBOCLSA-N 253.342 3.549 30 20 CHED Cc1ccc(C2=CCN(c3cc(C#N)ccn3)CC2)cc1 804337080 UKPHUQHKUNZHNW-UHFFFAOYSA-N 275.355 3.555 30 20 CHED Cc1ccncc1[C@@H](C)Nc1nc(Cl)c(C#N)s1 804589964 ADQYUCWYVOGHPB-MRVPVSSYSA-N 278.768 3.545 30 20 CHED C[C@@H](OC(=O)CCCCCC#N)c1ccc(F)cc1 805696087 VSOGILXGNRBJJH-GFCCVEGCSA-N 263.312 3.904 30 20 CHED CCOC(=O)c1csc(/C=C/c2ccc(C#N)c(C)c2)n1 806563743 YNVOMMHBUIVKQJ-FNORWQNLSA-N 298.367 3.670 30 20 CHED C#C[C@H](NC(=O)c1ccc(-c2ccco2)s1)C(C)(C)C 807878646 XVIBEYNVCLNODB-AWEZNQCLSA-N 287.384 3.786 30 20 CHED C[C@@H]1CCC[C@H](C=NNc2nccnc2C2CCC2)C1 807991791 SUYZYIWDUDTMIU-OLZOCXBDSA-N 272.396 3.968 30 20 CHED CN(C(=O)CCCCCC#N)c1nc2ccccc2s1 808069929 LXIWXUITVPSQEO-UHFFFAOYSA-N 287.388 3.733 30 20 CHED C#Cc1ccc(CNc2ccc3oc(CC)nc3c2)cc1 809607663 DYXDFTWRGRIGDX-UHFFFAOYSA-N 276.339 3.984 30 20 CHED N#Cc1ccc2c(c1)C(=O)/C(=C/c1cc(F)ccc1F)C2 811695760 LNEJNZXMOQDDSM-NTUHNPAUSA-N 281.261 3.659 30 20 CHED CCCCCCCCCOC(=O)c1cccc(O)n1 814472171 RATUBSKEZYOMCE-UHFFFAOYSA-N 265.353 3.695 30 20 CHED O=C(O)c1ccccc1NN=CCC1CCCCC1 814768687 ISHJPURDMOCHQU-UHFFFAOYSA-N 260.337 3.753 30 20 CHED CC(=NNCc1cccc(Cl)c1Cl)c1c[nH]nc1C 814913193 JDBNCMAJDDFDNY-UHFFFAOYSA-N 297.189 3.539 30 20 CHED CC(C)(CO)CNN=C1CCCC[C@H]1C1=CCCCC1 814922306 CIGNCIFVOHHXKV-HNNXBMFYSA-N 278.440 3.641 30 20 CHED CC(C)(CO)CNN=C1CCCC[C@@H]1C1=CCCCC1 814922307 CIGNCIFVOHHXKV-OAHLLOKOSA-N 278.440 3.641 30 20 CHED C[C@H](NN=Cc1ccc2ccc(F)c(F)c2n1)C(C)(C)C 814937499 IQTVWQBVUCXVDZ-JTQLQIEISA-N 291.345 3.871 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 819938082 PHASQTHSMFQAOG-UPJWGTAASA-N 281.359 3.565 30 20 CHED CC/C(C)=C\C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 822849748 JWWKMTCBOCBXQK-GDNBJRDFSA-N 284.403 3.899 30 20 CHED Cc1cc(CNC[C@]2(C)CC2(Cl)Cl)ccc1C#N 824774816 VZDFEDCYERYJAT-ZDUSSCGKSA-N 283.202 3.540 30 20 CHED C=CCCCCC[C@@H](C)NCc1ncccc1OC 825249469 IJZCTPKQIIWCMR-CQSZACIVSA-N 262.397 3.705 30 20 CHED CC[C@H](C)CC=NNc1ccc(Cl)c(C(=O)O)c1 834915235 HJUWHYIGOPXSHA-VIFPVBQESA-N 268.744 3.872 30 20 CHED CCC(=NNc1nc(-c2ccccc2)no1)C1CCC1 834952416 RFLDKWBZFQINCC-UHFFFAOYSA-N 270.336 3.715 30 20 CHED C1CC[C@@H](ON=C2CCC(OC3CCCC3)CC2)OC1 834966844 PIAUTOKYERCRTQ-OEMAIJDKSA-N 281.396 3.787 30 20 CHED CC(=NNc1c(C)cccc1Cl)C1CCOCC1 835012396 ZCPUYKVCERZFTJ-UHFFFAOYSA-N 266.772 3.863 30 20 CHED C=CCC[C@@H](OC(=O)c1cccc(CC)n1)C1CC1 835243725 PMESCZOUVWZDMN-OAHLLOKOSA-N 259.349 3.546 30 20 CHED CCCCN(C(=O)C#CC1CC1)[C@H](C)c1ccccc1 837374760 HZHCJFWDGZNVLD-OAHLLOKOSA-N 269.388 3.790 30 20 CHED CCc1nc(C)c([C@@H](C)N(C)C(=O)C#CC(C)(C)C)s1 837435641 VZPYYHDKCYTMOX-GFCCVEGCSA-N 292.448 3.583 30 20 CHED COc1cccc2cc(C(=O)O[C@H]3CCC[C@H](C#N)C3)oc12 839047128 UXGIUXVOXBLYQZ-AAEUAGOBSA-N 299.326 3.681 30 20 CHED C=C(Cl)CN[C@@H](c1ccccc1)C1(CO)CCCC1 839615131 IELAQNCFRVNIKX-HNNXBMFYSA-N 279.811 3.623 30 20 CHED COCC1CCC(/N=C\c2cc(Cl)ccc2O)CC1 840714233 YGUZHXWLUWIGSH-MFOYZWKCSA-N 281.783 3.670 30 20 CHED C=C(C)CNC(=S)N1CC2(CCC2)[C@H]1c1ccccc1 840751305 RJCMJXHLOZWYTE-OAHLLOKOSA-N 286.444 3.664 30 20 CHED C=C(C)CSc1nnc2n(C(C)C)c3ccccc3n12 847215426 WPALHKHQBMIGEY-UHFFFAOYSA-N 286.404 3.933 30 20 CHED C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ncoc1C1CC1 851141457 ASMNOYITJRQBJF-AAEUAGOBSA-N 275.348 3.844 30 20 CHED C[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccc1 851206085 LOWMJFFKZHKLIM-OLZOCXBDSA-N 259.349 3.662 30 20 CHED C[C@H](N[C@H](C#N)c1ccccc1)c1ccc(N(C)C)cc1 851950722 RHQKZZUFRMVHMM-KBXCAEBGSA-N 279.387 3.668 30 20 CHED CO[C@@H](C/N=C/c1cc(Cl)ccc1O)C1CCCC1 852998180 IAYPGIZSSVNJDP-ZUZCKIMGSA-N 281.783 3.670 30 20 CHED CC(CCCCCCC(=O)O)=NOCC1CCC1 853440867 NNLPHTCYCXQUGV-UHFFFAOYSA-N 255.358 3.604 30 20 CHED CC[C@H](CC#N)OC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 870310095 SKOPVFPRVJRLSE-MXWKQRLJSA-N 277.286 3.591 30 20 CHED CCCCN(C(=O)c1cccc(CC#N)c1)c1ccncc1 876291500 VEJIWJGAAZIIFK-UHFFFAOYSA-N 293.370 3.595 30 20 CHED CCOC(=O)N(C)c1ccc(NC[C@@H](C)CCC#N)cc1 876825606 ZPVLZJXUORVYTN-ZDUSSCGKSA-N 289.379 3.631 30 20 CHED COc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)c(C)c1 876841821 CWVQDWHGOYZBJS-AWEZNQCLSA-N 288.391 3.515 30 20 CHED CC[C@@H]1C[C@H](C)CN1CC[C@](C#N)(C(C)=O)c1ccccc1 878155120 KVSNRGMBBUFING-IPELMVKDSA-N 298.430 3.547 30 20 CHED C=CC(C)(C)CC(=O)Nc1cccc(OCCF)c1 879156427 SFBXNWSVMOBQOM-UHFFFAOYSA-N 265.328 3.576 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cc(C#N)ccc1F 888369308 RULFFLRVURKTNW-NSHDSACASA-N 277.343 3.740 30 20 CHED C=C1CCC(C(=O)Nc2cccc(F)c2F)CC1 888552766 XFSSETODCBIEQT-UHFFFAOYSA-N 251.276 3.650 30 20 CHED C=C1CCC(C(=O)N(CCC#N)C(C)(C)CC)CC1 890023368 BCHXFQRHKIYQPF-UHFFFAOYSA-N 262.397 3.664 30 20 CHED C=CC1(OC(=O)[C@H]2CCSc3ccccc32)CC1 893363088 RHZFJGAZTCTHQR-LBPRGKRZSA-N 260.358 3.528 30 20 CHED CC[C@@H](Nc1ccc(C#N)cn1)c1cc(F)ccc1OC 895879385 KXJIWOLNZOIEMC-CQSZACIVSA-N 285.322 3.664 30 20 CHED CC[C@@H](Cc1ccccc1C)C(=O)Nc1ncc(C#N)s1 896492345 PKGWYDPPKVHZQB-LBPRGKRZSA-N 299.399 3.531 30 20 CHED C=C1CC(c2noc([C@H](CC)CC(F)(F)F)n2)C1 896877427 QVYYXVNBNLYOJU-MRVPVSSYSA-N 260.259 3.949 30 20 CHED CC[C@](C)(C#N)c1nc([C@@H](C)c2cccc(F)c2)no1 897067307 HFCQFCGFCUFCPE-ZUZCIYMTSA-N 273.311 3.552 30 20 CHED CC[C@@H]1c2ccccc2CN1c1cc(C#N)cc(C)n1 897354772 SZBHRKXUGYZZLF-MRXNPFEDSA-N 263.344 3.733 30 20 CHED CS[C@H]1CCCC(=NNc2oc(C(C)C)nc2C#N)C1 901179349 GRCCMDONFJZOMI-NSHDSACASA-N 292.408 3.743 30 20 CHED C=CCSCCN[C@H](C)c1ccc(C(F)(F)F)cn1 902855410 ZAPGGAVCAGJGAF-SNVBAGLBSA-N 290.354 3.670 30 20 CHED CC[C@H](NCC[C@H]1CCO[C@@H](C)C1)c1cccc(C#N)c1 902950093 FURJNDYNHSSQHX-MPGHIAIKSA-N 286.419 3.804 30 20 CHED CC[C@@H](N[C@@H](C)c1nccn1CC)c1cccc(C#N)c1 903010956 UMBBGXLDFFGNJK-XJKSGUPXSA-N 282.391 3.577 30 20 CHED C=CCCC(=O)[C@H]1CCCN1C(=O)c1csc(C)c1C 908652737 PNJBLMDNXZAMKF-CQSZACIVSA-N 291.416 3.505 30 20 CHED C=CCOc1ccc(C(=O)OCc2cccc(OC)c2)cc1 913365853 SYBYNLDMPNYPQD-UHFFFAOYSA-N 298.338 3.617 30 20 CHED CCC(C[C@H](C)CC)=NNC(=S)Nc1cccnc1 915944813 UQCCQQJVQBTLGV-LLVKDONJSA-N 278.425 3.570 30 20 CHED COc1cccc(C=NNc2ccccc2Cl)c1O 916262313 CMLPZYWWRSZKON-UHFFFAOYSA-N 276.723 3.500 30 20 CHED CC(C)c1ccc(C=NNC(=S)Nc2cccnc2)cc1 916299791 WMXUSSVZNWBSGS-UHFFFAOYSA-N 298.415 3.526 30 20 CHED CC(=NN[C@@H](C)c1ccccc1)c1scnc1C 920382732 MZZNTKBAGNOMOR-JTQLQIEISA-N 259.378 3.526 30 20 CHED CO[C@@H](CN[C@H](C)CC(C)(C)C#N)c1ccccc1Cl 925540173 AQFZGBKMOYFMDN-DOMZBBRYSA-N 294.826 3.945 30 20 CHED C=C1CCN(C(=O)Nc2ccc(OCC)c(Cl)c2)CC1 929790583 YKNFKYBAKLHRRD-UHFFFAOYSA-N 294.782 3.923 30 20 CHED C[C@H]1CC(C)(C)CC[C@H]1NCc1cccc(OCC#N)c1 1116466995 PEGZLSNTJUVSPV-WMLDXEAASA-N 286.419 3.893 30 20 CHED C[C@H](OC(=O)c1cc(-c2ccccc2)ccn1)C(C)(C)C#N 1122739492 OEBZNNXZDDZOIK-ZDUSSCGKSA-N 294.354 3.844 30 20 CHED CCc1nc(C#N)cc(N2c3ccccc3C(C)(C)[C@H]2C)n1 1187034333 IUJRUNLGIUDSFU-GFCCVEGCSA-N 292.386 3.728 30 20 CHED N#Cc1cccc(C2(NCc3cc(O)cc(Cl)c3)CC2)c1 1202366995 VIPUMRUDVRRFAS-UHFFFAOYSA-N 298.773 3.696 30 20 CHED C=CCn1cnnc1SCc1cc(Cl)ccc1F 1255556351 AMTJXDNXYKXLRV-UHFFFAOYSA-N 283.759 3.549 30 20 CHED CCn1ccnc1[C@H](C#N)C(=O)[C@]1(C)CC[C@H](C)C1(C)C 1263616748 HGWVRWYDOPNOSC-AHIWAGSCSA-N 287.407 3.542 30 20 CHED N#Cc1cc(C(=O)OCCOC2CCCCCC2)cs1 1263657118 LURQEQMZAJVDPR-UHFFFAOYSA-N 293.388 3.516 30 20 CHED N#Cc1cc(Sc2nc3ccc(F)cc3s2)ccn1 1307206506 PIYLIHSWZNQLHW-UHFFFAOYSA-N 287.344 3.853 30 20 CHED C[C@@H]1CCCN(Cc2cc(C#N)ccn2)c2ccccc21 1307667412 UUAFMSFRZVCNMW-CQSZACIVSA-N 277.371 3.857 30 20 CHED COc1ccc(C#N)cc1NCc1cc(O)cc(Cl)c1 1308430366 IMNLYNSQXAJJAF-UHFFFAOYSA-N 288.734 3.538 30 20 CHED C=CC[C@H](C)C(C)=NNc1ccc(C(C)(C)C)nn1 1318626370 PZSMVCGQLUWXAB-NSHDSACASA-N 260.385 3.774 30 20 CHED N#Cc1ccnc(/C=C/c2ccccc2OC(F)F)c1 1321461491 KCIBAOVYRMMFHO-AATRIKPKSA-N 272.254 3.725 30 20 CHED N#CCSCc1nnc(-c2ccc3ccccc3c2)o1 1324147789 DZFDHQXDJUUXQE-UHFFFAOYSA-N 281.340 3.647 30 20 CHED CC[C@](C)(NC(=O)c1csc(C#N)c1)c1ccccc1 1324356062 FSHHOVBLVUVPGF-INIZCTEOSA-N 284.384 3.675 30 20 CHED C[C@@H](c1noc(-c2csc(C#N)c2)n1)C(C)(C)C 1326622165 DFNFIVIQPFZZFD-QMMMGPOBSA-N 261.350 3.819 30 20 CHED Cc1cc(Oc2ccc(C#N)cc2F)nc(C2CCC2)n1 1334952366 OLSNSJPGSCVOAX-UHFFFAOYSA-N 283.306 3.856 30 20 CHED N#Cc1ccc(C(=O)NC2(C3CCCCC3)CC2)c(F)c1 1340848686 FDAAWFSECGGWBY-UHFFFAOYSA-N 286.350 3.540 30 20 CHED C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@@H]2CCC[C@@H]21 1343523873 RKCUOZYNNATMRR-RYUDHWBXSA-N 296.365 3.561 30 20 CHED C=CC1(OC(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1345586725 PZBZDFUTXUDMHK-UHFFFAOYSA-N 291.656 3.629 30 20 CHED CCc1ccccc1NC(=O)c1cc(C#N)ccc1F 1352982370 ZVTQNYFWOBWIAL-UHFFFAOYSA-N 268.291 3.512 30 20 CHED C=C(C)CCC(=O)N1CCS[C@H](c2ccccc2)C1 1358173123 KEBSOUQZDLDAKY-HNNXBMFYSA-N 275.417 3.659 30 20 CHED CC(C)(C)c1cccc(C(=O)NCc2cccc(C#N)c2)c1 1358242482 UJLIFPJGIYUYLC-UHFFFAOYSA-N 292.382 3.786 30 20 CHED CC[C@H](NC(=O)c1ccc(C)c(C#N)c1)C1CCCCC1 1359883371 NKFQFVSAUYACAA-KRWDZBQOSA-N 284.403 3.955 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)s1 1436536085 FRIPHKIPWGEPSB-RYUDHWBXSA-N 276.405 3.566 30 20 CHED CSc1nc(Oc2ccccc2C#N)cc(C(F)F)n1 1458063885 OMUWWHQVFKFBFJ-UHFFFAOYSA-N 293.298 3.800 30 20 CHED CC[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H]1C 1458327543 AXNDZBYOHMULLL-CHWSQXEVSA-N 271.408 3.876 30 20 CHED Cc1cccc(C)c1CN(C)c1snc(C)c1C#N 1458661556 YBJPUFYNKPXBFT-UHFFFAOYSA-N 271.389 3.576 30 20 CHED CC(C)C1CCC(CNc2cccc(C#N)n2)CC1 1472726302 YUAAZJZUYNUVQJ-UHFFFAOYSA-N 257.381 3.828 30 20 CHED CC(C)c1cccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c1 1516861617 XCVWGOVLXYXYFG-WFASDCNBSA-N 257.333 3.659 30 20 CHED CCC[C@@H](CC)C(=O)O[C@H](C)c1cccc(C#N)c1 1518213995 VZAXIPBGHVOUOP-TZMCWYRMSA-N 259.349 3.989 30 20 CHED CC[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C1CCCC1 1525853041 VVURYUSLHSOABH-HNNXBMFYSA-N 290.794 3.910 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1csc(C#N)c1 1529824710 ONJZEWJPPQLPFI-SWLSCSKDSA-N 290.432 3.954 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccccc2C(C)(C)C)n1 1534294127 NMJFYYXUCSRLHM-UHFFFAOYSA-N 293.370 3.812 30 20 CHED N#Cc1cc(NC(=O)C2CCCCCC2)c(F)cc1F 1544823211 MHNFIKBSXLCAHT-UHFFFAOYSA-N 278.302 3.745 30 20 CHED C[C@H]1SCC[C@H]1Nc1c(Br)cccc1C#N 1559228571 JGCUJXLJAGGQLL-LDYMZIIASA-N 297.221 3.627 30 20 CHED CC(C)C[C@@H]1CCCCN1Cc1cccc(C#N)c1 1559624850 CTGUTWQGULIHHJ-KRWDZBQOSA-N 256.393 3.959 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1nc(C(C)C)c(C(=O)O)s1 1588682308 LFFKTLSWCDQFJZ-CQSZACIVSA-N 296.392 3.506 30 20 CHED N#Cc1ccc(SCc2cc(C(=O)O)cs2)cc1 1601113541 KVBUYJHKSMASIA-UHFFFAOYSA-N 275.354 3.610 30 20 CHED N#Cc1c(F)cccc1S[C@@H](C(=O)O)c1ccsc1 1608194117 KKAJEVGCFQYOJP-GFCCVEGCSA-N 293.344 3.677 30 20 CHED Cc1cc(CN2CC(C)(C)[C@@H]2C(C)C)ccc1C#N 1621361816 QGLDXRULJJAKCB-INIZCTEOSA-N 256.393 3.733 30 20 CHED C=CCC[C@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1 1635139827 YJBANGZGPINOQB-QRIFCXAISA-N 283.415 3.897 30 20 CHED Cc1cc(C)cc(Nc2ccc(Cl)c(C#N)n2)c1 1641969928 JYAFEIXWIKLRCI-UHFFFAOYSA-N 257.724 3.967 30 20 CHED Cc1cc(=NCc2ccc(-c3ccccc3)o2)c(C#N)c[nH]1 1650654909 VBAWVYFSBXFFOG-UHFFFAOYSA-N 289.338 3.556 30 20 CHED CN(Cc1csc2ccccc12)c1ncc(C#N)cc1F 1651373612 JDHXBQXUQOCIQA-UHFFFAOYSA-N 297.358 3.943 30 20 CHED Cc1ccc(C)c([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)c1 1654032382 OBFMPHFBEVPGNB-DNVCBOLYSA-N 294.398 3.559 30 20 CHED C[C@H]1CCC[C@H](CN2CCN(c3ccc(C#N)cc3)CC2)C1 1654541823 YXIPGJNBQUWKEG-WMZOPIPTSA-N 297.446 3.507 30 20 CHED C[C@@H]1CCC[C@H](CN[C@@H]2CCc3cc(C#N)ccc32)C1 1659674154 ZPOIMEPCDDNTOI-QIIPPGSGSA-N 268.404 3.961 30 20 CHED CC[C@H]1CCN(C(=O)Nc2cccc(C#N)c2C)[C@@H]1C 1669819997 JPCYHEJGUMEFAZ-OLZOCXBDSA-N 271.364 3.519 30 20 CHED O=C(O)c1ccc2c(c1)CCCCC2=NOC/C=C/Cl 1776080756 ZNAWATLSRXQHPH-VZSZXPAISA-N 293.750 3.584 30 20 CHED C[C@@H](ON=Cc1sccc1C(=O)O)c1ccccc1 1776083199 RIPYNHLCWBGGBZ-SNVBAGLBSA-N 275.329 3.558 30 20 CHED O=C(O)c1cc(F)c(/C=C\C(=O)c2ccccc2)c(F)c1 1776114267 KMMCBNUPRALDFQ-SREVYHEPSA-N 288.249 3.559 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2ccc(C(=O)O)nc2)cc1C 1776133474 XSBZTLUKDRFUQS-ALCCZGGFSA-N 295.338 3.601 30 20 CHED C=CCc1ccccc1CN(C)Cc1ccc(C(=O)O)cc1 1776189094 MFRFTKGVUBFRLI-UHFFFAOYSA-N 295.382 3.745 30 20 CHED COc1ccc(/C=C2\CCCC(C)(C)C2=O)cc1C(=O)O 1777359886 CRYFQYWJFIKBGQ-FMIVXFBMSA-N 288.343 3.556 30 20 CHED N#Cc1ccccc1COC(=O)c1ccc(F)cc1Cl 3536385 BJUKXBWFRGAEDG-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=CCn1c(SCc2cccc(C#N)c2)nnc1C1CC1 4345297 GYYROUTWWLNESQ-UHFFFAOYSA-N 296.399 3.505 30 20 CHED CC[C@H](Nc1cc(C)nc(C#N)c1)c1ccccc1 308281588 VQLPUZZOVCXATH-INIZCTEOSA-N 251.333 3.825 30 20 CHED CC(C)CCOCCNc1cc(Cl)ccc1C#N 62785509 SFICWEYWWXIYPH-UHFFFAOYSA-N 266.772 3.686 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H](c3ccccc3)C2)n1 50266893 WRWDLWNODHBRGS-MRXNPFEDSA-N 277.371 3.564 30 20 CHED C=CCCCCCN(C)C(=O)CC[C@@H]1CC[C@H](C)O1 174310483 NYXUDSILAPYFBD-GJZGRUSLSA-N 267.413 3.539 30 20 CHED C[C@@H]1CCC[C@H]1CNc1ncc(Br)cc1C#N 310093139 SNCFREQRQIUJHG-ZJUUUORDSA-N 294.196 3.564 30 20 CHED CCOc1ccccc1NCc1ccc(O[C@H](C)C#N)cc1 114766763 GSKXBXZGMAPUAO-CQSZACIVSA-N 296.370 3.988 30 20 CHED C=C(C)CSCC(=O)c1cc(C)n([C@@H](C)COC)c1C 177870753 LUCOSMRHABVBFY-ZDUSSCGKSA-N 295.448 3.804 30 20 CHED C=CCC[C@H](NCCn1c(C)nc2ccccc21)C1CC1 119915971 XULXVIPNBLBZLA-INIZCTEOSA-N 283.419 3.679 30 20 CHED C=CCOCCCC(=O)N(C(C)C)C1CCCCC1 175174793 AXKKNYQMNZSUSZ-UHFFFAOYSA-N 267.413 3.539 30 20 CHED N#Cc1cccc(CN[C@@H](Cc2ccccc2)C2CC2)c1 172342952 SYKFUZJGOMJUHP-IBGZPJMESA-N 276.383 3.669 30 20 CHED N#C[C@@H]1CC[C@@H](OC(=O)c2csc(-c3ccccc3)n2)C1 178790319 GPWDSTPNLCLYMO-DGCLKSJQSA-N 298.367 3.659 30 20 CHED CCCCCCCCCCC(=O)N1CCN(CC)CC1 109296993 SNLKYRZMTLDHAV-UHFFFAOYSA-N 282.472 3.681 30 20 CHED Cc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(C)s1 116802354 TXPDATIUCMHBRH-ZUZCIYMTSA-N 276.405 3.567 30 20 CHED CCCCNc1ccccc1C(=O)N(CC)C[C@H](C)C#N 119049249 VQQUBTBBBLZSKA-CQSZACIVSA-N 287.407 3.520 30 20 CHED C=CC[C@H](C)NC(=O)c1csc(-c2cccs2)n1 116852502 RGKUFJSJBCRHIT-VIFPVBQESA-N 278.402 3.566 30 20 CHED CCC(C)(C)C(=O)Nc1sc2c(c1C#N)CCCC2 171151291 VWEYMCDKRQHFHE-UHFFFAOYSA-N 276.405 3.873 30 20 CHED Cc1ccccc1/C=C/C(=O)c1cnn(C(C)C)c1 58465414 OSSTWZXJNZRVSU-CMDGGOBGSA-N 254.333 3.669 30 20 CHED Cc1cc(C)cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 106421200 WVHSTTOVZSLLGN-MRXNPFEDSA-N 298.773 3.952 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 69358853 OVXJCNRJGQBEMZ-KGLIPLIRSA-N 291.391 3.784 30 20 CHED Cc1ccc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 22528569 AWSOOXSXGBKODU-BBRMVZONSA-N 290.432 3.530 30 20 CHED C=C(C)CSCC(=O)Nc1ccccc1C(F)(F)F 177864310 IPCVQJPPAVOHQM-UHFFFAOYSA-N 289.322 3.953 30 20 CHED Oc1ccccc1/C=N/[C@@H]1CCCN(c2cccc(F)c2)C1 115961716 DFWVHJWQEXOPJL-DDLUMYACSA-N 298.361 3.619 30 20 CHED CCN(CCCC#N)Cc1cc(Br)ccc1F 63751678 UBDDQCZPCFSMOO-UHFFFAOYSA-N 299.187 3.714 30 20 CHED N#C[C@H](C(=O)CCC1CC1)c1nc(-c2ccncc2)cs1 115909126 BOSKDUVIJQZRTI-CYBMUJFWSA-N 297.383 3.572 30 20 CHED CC[C@]1(C)CN(c2ccc(C(F)(F)F)cc2C#N)CCO1 302701980 XPIQOTPWJHRGOU-CQSZACIVSA-N 298.308 3.582 30 20 CHED C=CCCNC(c1cccc(OC)c1)c1cccc(OC)c1 176866975 MRWDMLPZHYYOLU-UHFFFAOYSA-N 297.398 3.959 30 20 CHED C=CC1CCN(c2nc(C)nc3scc(C)c23)CC1 302312524 TUSVVWFEZWYDSD-UHFFFAOYSA-N 273.405 3.711 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(F)cc1C#N 441464297 AJNJTLAMNPDRFR-IIYDPXPESA-N 272.367 3.850 30 20 CHED C[C@H]1CCCCN1CCCCNc1ccc(C#N)cc1F 301141708 INPUOGMQBLXCFI-AWEZNQCLSA-N 289.398 3.764 30 20 CHED CC(C)c1nsc(N[C@H](C)c2cccc(C#N)c2)n1 301544552 KUNZZAOCNCPBDD-SNVBAGLBSA-N 272.377 3.706 30 20 CHED C=CC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 301395291 LIHKTRZIWWCLIX-UHFFFAOYSA-N 298.289 3.599 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)cc1F 181041530 FPOUUYGOEVEMEP-SNVBAGLBSA-N 268.307 3.831 30 20 CHED CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C1(C#N)CCCC1 188886756 AOFHLZBTFLDNDC-QGZVFWFLSA-N 298.430 3.859 30 20 CHED CCn1cc(C(=O)OCC(C)(C)CC#N)c2ccccc21 184825458 SIUISJBUYNZCBT-UHFFFAOYSA-N 284.359 3.758 30 20 CHED N#CCN(Cc1cc(Br)ccc1Cl)C1CC1 352738767 NYLUAZPXIMKXRN-UHFFFAOYSA-N 299.599 3.590 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 129123507 KRVVVQJPKYJLFA-QGZVFWFLSA-N 299.414 3.780 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccccc1 122566807 BASQLHLYXCBSRL-ZDUSSCGKSA-N 263.406 3.592 30 20 CHED Cc1ccccc1NCCC(=O)Nc1ccc(CC#N)cc1 32413613 BSHDEQQGEVLTJL-UHFFFAOYSA-N 293.370 3.502 30 20 CHED C=CC[C@H](C)N[C@H]1CCc2c(Br)cccc21 126068901 XUULOFFUOFKNQJ-HZMBPMFUSA-N 280.209 3.991 30 20 CHED Cc1cccc(N2CCN(CCCC(C)(C)C#N)CC2)c1C 124599745 WWBXYGAOHCDGIQ-UHFFFAOYSA-N 299.462 3.755 30 20 CHED N#CCC[C@H](C#N)COc1cc(C(F)(F)F)ccc1F 414187542 QBJBTDYQBWLNSP-SECBINFHSA-N 286.228 3.667 30 20 CHED C=C(C)COc1cccc(NCc2cccc(OC)c2O)c1 129251210 HNPULBXKVBKGMD-UHFFFAOYSA-N 299.370 3.968 30 20 CHED C=C(C)[C@@H](NC(=O)CCOC(C)C)c1ccc(F)c(F)c1 186030520 KXEWPXJPKRIABJ-MRXNPFEDSA-N 297.345 3.513 30 20 CHED CC(C)(C#N)CNC(=O)c1cc2c(s1)CCCCCC2 611690533 PQRDQJKQVJASHF-UHFFFAOYSA-N 290.432 3.687 30 20 CHED C=CCCS[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O 419422106 LTTMEUSJNMANHE-WFASDCNBSA-N 293.407 3.797 30 20 CHED C[C@H](NC(=O)C[C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 75275376 RXTXEAIWPQDBCG-QLFBSQMISA-N 284.403 3.952 30 20 CHED C=C[C@@H](CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 125459729 YAUKCTPVKNVBCA-HNNXBMFYSA-N 276.339 3.857 30 20 CHED CC(C)C[C@H](C)NCc1ccc(N(C)CCC#N)cc1 127745481 JUHZCFJYDAKAKP-HNNXBMFYSA-N 273.424 3.561 30 20 CHED C#CCCCCC(=O)Nc1cc(C)ccc1Br 121588800 PMYUKLFWUGAKQL-UHFFFAOYSA-N 294.192 3.890 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H](SC)c1ccccc1 415537736 HXDPRKLWDYGXNL-GJZGRUSLSA-N 275.417 3.658 30 20 CHED N#CCC[C@H](NC[C@@H]1CC=CCC1)c1ccccc1 125779864 APSJQLKJNGYZAI-WBVHZDCISA-N 254.377 3.977 30 20 CHED N#CCCSCc1nnc(-c2ccc(Cl)cc2)o1 413011330 IWWUYUGIZHGYGY-UHFFFAOYSA-N 279.752 3.537 30 20 CHED N#Cc1cc(Cl)ccc1Cn1cnc(-c2ccccc2)n1 186621146 DPKRWWYVSNFKQM-UHFFFAOYSA-N 294.745 3.518 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCc1cc2ccccc2o1 410828101 MRUSLIZZQTWGPU-CQSZACIVSA-N 284.359 3.516 30 20 CHED C=CCC1(C(=O)N[C@@H]2CS[C@@H](C)C2)CCCCC1 412575909 DGYHUJJYNAXGDN-STQMWFEESA-N 267.438 3.523 30 20 CHED C=C(Cl)CN[C@H]1CCc2c(Br)cccc21 131968625 YESRBCLAONLGEO-LBPRGKRZSA-N 286.600 3.779 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1nc(C(C)(C)C)cs1 500103947 MLPJPUXNLJIFJO-JTQLQIEISA-N 281.425 3.917 30 20 CHED CC(C)(C)c1cnc(CSCC2(C#N)CCC2)o1 419573084 AKZHOJKQXONNMC-UHFFFAOYSA-N 264.394 3.899 30 20 CHED C=CCN(CC=C)[C@H](C)c1nc(-c2cccs2)no1 411159962 ASJXAHVCYNQFMQ-LLVKDONJSA-N 275.377 3.533 30 20 CHED O/C(=N/C[C@@H]1CC=CCC1)Nc1scnc1C1CC1 328951883 XKIRKOSUJZIMAL-SNVBAGLBSA-N 277.393 3.703 30 20 CHED Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc(C#N)cs2)c1 84114079 IHKABIWEDLFRTN-ZDUSSCGKSA-N 298.411 3.598 30 20 CHED CSc1c(F)cc(NCc2cc(C#N)n(C)c2)cc1F 191586136 AUSQFTKFHVVYLL-UHFFFAOYSA-N 293.342 3.509 30 20 CHED N#C[C@@H](OC(=O)c1ccc(-c2ccccc2F)o1)C1CC1 80412341 QUBGKKAOIIGXHN-OAHLLOKOSA-N 285.274 3.545 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCN(C)[C@@H](C)C1 226866451 MQUZITCUZLYBOY-HRCADAONSA-N 254.462 3.808 30 20 CHED Cc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1Br 381561848 RNRCJRFPMOXSMN-PWSUYJOCSA-N 279.181 3.862 30 20 CHED CCC[C@H](C)CC(=O)[C@H](C#N)c1nc2ccccc2o1 194583330 SZDUONFDKOXOJC-RYUDHWBXSA-N 270.332 3.830 30 20 CHED CC1(C)CCCC[C@@H]1/N=C(/O)[C@@H]1CCC(=O)c2cccn21 329872492 DDWKURGJEKRSOP-ZFWWWQNUSA-N 288.391 3.931 30 20 CHED OC1=NCC[C@H](C(O)=Nc2ccc(F)c(C3CC3)c2)C1 329799435 HLFUHEFQPPVULP-JTQLQIEISA-N 276.311 3.658 30 20 CHED CCCC[C@H](C)Nc1ccc(F)cc1OCC#N 136891720 GZTSGLMPXXNSHY-NSHDSACASA-N 250.317 3.719 30 20 CHED CC(C)(C)OCCCCOc1cc(F)cc(C#N)c1 516208377 PFLCXDMCSDWKRP-UHFFFAOYSA-N 265.328 3.671 30 20 CHED C[C@@H](CC1CC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 132869601 MJEXKCBYAUMYAE-BBRMVZONSA-N 285.391 3.519 30 20 CHED Cc1ccc(OC(=O)C2(C#N)CCCCC2)cc1F 193247736 UZLRUGUUXXTCAB-UHFFFAOYSA-N 261.296 3.514 30 20 CHED C=CC[C@H](C)[C@@H](C)NCC1(c2cccc(OC)c2)CC1 519591970 KJZMSKHDEKTEGP-LSDHHAIUSA-N 273.420 3.917 30 20 CHED C[C@@H](CC#N)N(C)CCOc1ccc(Cl)cc1Cl 161807632 HTNNNAGWDBCNCW-JTQLQIEISA-N 287.190 3.606 30 20 CHED Cc1cccc(CNc2snc(Cl)c2C#N)c1 48556896 QFIURFICLNESBO-UHFFFAOYSA-N 263.753 3.589 30 20 CHED Cc1cccc(/C=C2\COc3c(C)cccc3C2=O)c1 48985589 ZPUSVCXFLXVXJH-XNTDXEJSSA-N 264.324 3.962 30 20 CHED CC[C@@H]1CCCC[C@H]1N/C(O)=N/[C@H](C)c1cccc(O)c1 331194718 WPSFHBWHBVBGQC-XJKCOSOUSA-N 290.407 3.926 30 20 CHED Cc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)s1 90107218 SGUUPYVUMWGRNR-ZDUSSCGKSA-N 286.400 3.658 30 20 CHED C=CCC[C@H](NC[C@@]1(C)C[C@H]2CC[C@H]1O2)c1ccco1 424294492 OXSFNFLLRIKJAC-YALNPMBYSA-N 275.392 3.834 30 20 CHED C=C(C)COc1cc(CN2CCCCC2)ccc1OC 92107493 ZJBWGZMZLPTGOG-UHFFFAOYSA-N 275.392 3.636 30 20 CHED Cc1nc[nH]c1C/C(O)=N/[C@@H]1CCCCC12CCCC2 330266551 AFNPTGILHQHBMV-CQSZACIVSA-N 275.396 3.720 30 20 CHED CSc1ccccc1COc1cccc(C#N)c1 511846007 YVTPINOGXWEQKF-UHFFFAOYSA-N 255.342 3.859 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cccc(Br)c1 500102192 BHLWMNAJDWOPTG-LLVKDONJSA-N 297.196 3.925 30 20 CHED COc1cc(C#N)cc(OCc2nc3ccccc3s2)c1 235013263 YFHIKVPOSKIPQM-UHFFFAOYSA-N 296.351 3.756 30 20 CHED CC(C)Cc1c[nH]c(C(=O)Nc2ccccc2CC#N)c1 516085639 QAAOEFGXKHOTFE-UHFFFAOYSA-N 281.359 3.532 30 20 CHED Cc1nc2cc(N=C(O)N3CC[C@H]4CCC[C@H]43)ccc2o1 330254858 PKKYJZOSWJAEFS-BXUZGUMPSA-N 285.347 3.556 30 20 CHED N#Cc1cscc1C(=O)Nc1cc(Cl)cc(F)c1F 335435654 JNRGVQHDQLZDBN-UHFFFAOYSA-N 298.701 3.804 30 20 CHED CCO[C@@H]1C[C@H](N(C)CC(C)(C)CCC#N)C12CCC2 92041187 XTQKBQTUKKBGCC-LSDHHAIUSA-N 278.440 3.596 30 20 CHED Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@]1(C#N)C[C@H]1C 334519008 VTHWCLYGYVNMTN-FZKQIMNGSA-N 291.354 3.545 30 20 CHED C#CCCCCN[C@@H](C)c1sc(-c2cccnc2)nc1C 90398888 MTCPNYNQMIDYMW-ZDUSSCGKSA-N 299.443 3.968 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)CCc1ccccc1 527891668 CIPBNEAMTXYZBL-QRVBRYPASA-N 287.447 3.969 30 20 CHED C=C(CNc1cc(N2CCCCC2)ncn1)c1ccccc1 340871499 HLPDZAUQJBUKFN-UHFFFAOYSA-N 294.402 3.592 30 20 CHED C=CCC(C)(C)c1noc(-c2cc(Cl)cn2C)n1 340770825 JZHWMSYVLVQKLA-UHFFFAOYSA-N 265.744 3.582 30 20 CHED C=CCC[C@H](NCCCN1CCCC1)c1ccccc1 341931397 OPKKNOCOXIZXHB-SFHVURJKSA-N 272.436 3.769 30 20 CHED C=CCC(C)(C)c1noc(CC[C@@H](C)SC)n1 340787440 AEJHSBJGKCBWSX-SNVBAGLBSA-N 254.399 3.607 30 20 CHED CC1(C)CN(c2nccc(C#N)c2Cl)[C@H]1c1ccncc1 431511147 JZKBQRBESVHEGP-AWEZNQCLSA-N 298.777 3.589 30 20 CHED C=CCCN(C)C(=O)CCCOc1ccccc1Cl 342009996 XAVKAKZXWAUVNV-UHFFFAOYSA-N 281.783 3.534 30 20 CHED CC1(c2ccc(Cl)cc2)CCN(CCC#N)CC1 348168548 MRLKASQBZAACHY-UHFFFAOYSA-N 262.784 3.607 30 20 CHED Fc1ccc(C#CCNc2c(F)cc(F)cc2F)cc1 433479736 XYPMGAQQLFWREF-UHFFFAOYSA-N 279.236 3.707 30 20 CHED CN(Cc1ccccc1C#N)CC1(c2ccccc2)CC1 347007436 QLKLIURSGIYUHQ-UHFFFAOYSA-N 276.383 3.722 30 20 CHED C=C(C)C(C)(C)c1nc(C(C)(C)c2cc(C)ccn2)no1 528264865 XOTWOVHORWCPIT-UHFFFAOYSA-N 285.391 3.953 30 20 CHED Cc1cc([C@@H](C)NC(=O)c2sccc2C#N)ccc1F 434151784 GUAWNFHQMVYLCL-SNVBAGLBSA-N 288.347 3.558 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc2oc(C3CC3)nc2c1 527904542 UXFITGQQHUYSIB-UHFFFAOYSA-N 297.358 3.974 30 20 CHED C[C@@H](CCC#N)CNC(C)(C)CCc1ccccc1 602537464 QQYMSUXIEJRUPX-HNNXBMFYSA-N 258.409 3.927 30 20 CHED CSc1ccc(CCNc2snc(C)c2C#N)cc1 343033907 KYMJCSMIGSPYET-UHFFFAOYSA-N 289.429 3.700 30 20 CHED Fc1ccccc1C=NOCc1ccccc1OC(F)F 255240726 XVIOBMKGKGHEOS-UHFFFAOYSA-N 295.260 3.978 30 20 CHED COc1cccc(C=Nc2ccc(C)cc2F)c1O 254820733 ZXQADABNJGLLQH-UHFFFAOYSA-N 259.280 3.599 30 20 CHED CCc1cc(NC(=O)c2cc(C#N)cs2)ccc1F 340763377 JQCRHRZGVMSVHA-UHFFFAOYSA-N 274.320 3.574 30 20 CHED CC1(C)CN(Cc2ccc(CC#N)cc2)[C@@H]1c1ccco1 602928062 WQCCWUIWVVVWKL-QGZVFWFLSA-N 280.371 3.929 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccccc1C(F)(F)F 343583612 SQNDNJINDSWIDK-JTQLQIEISA-N 268.282 3.660 30 20 CHED C=CCN(CC=C)C(=O)c1ccc(N(C)CCCC)cc1 520131600 IJKAKFBHNDSCKW-UHFFFAOYSA-N 286.419 3.737 30 20 CHED CCn1nccc1/C=C\C(=O)c1ccc2c(c1)CCCC2 255515486 YKNWNECNAZDRGH-KTKRTIGZSA-N 280.371 3.678 30 20 CHED N#C[C@@H]1CCC[C@@H](NC[C@@H]2SCCc3ccccc32)C1 447581710 VNTPOCOIZTUNCY-UNEWFSDZSA-N 286.444 3.689 30 20 CHED C=CCC1(C(=O)NCc2ccccc2F)CCCC1 449091715 RGAOKMCATNAERY-UHFFFAOYSA-N 261.340 3.578 30 20 CHED CCc1nc(COc2ccc(C#N)cc2CC)cs1 442090340 NHSGWUKCZGAOKZ-UHFFFAOYSA-N 272.373 3.719 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1CCCc2nn(C)cc21 358972639 WKSZNSFMKAMFLC-HIFRSBDPSA-N 261.413 3.522 30 20 CHED C=CCC1(C(=O)Nc2nnc(C(C)C)s2)CCCC1 449258407 PMILUXUGFJPRTG-UHFFFAOYSA-N 279.409 3.737 30 20 CHED C=CCCc1nc(C(C)(C)Cc2ccccc2)no1 445785633 XVCBVWQVFGVXLY-UHFFFAOYSA-N 256.349 3.709 30 20 CHED C=C(C)CCNCc1ccc(OCCC)c(OC)c1 449470991 BWOCHNDVKABHIR-UHFFFAOYSA-N 263.381 3.540 30 20 CHED C[C@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 448452463 NSYHGGZSLGUHPC-ZDUSSCGKSA-N 297.320 3.811 30 20 CHED CC(C)n1cc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cn1 538393697 PSBIVTDTCPERFK-UONOGXRCSA-N 282.391 3.747 30 20 CHED COc1cccc([C@H](C)NCC#Cc2ccc(F)cc2)c1 537029500 YTFNYNKYIFTPSC-AWEZNQCLSA-N 283.346 3.537 30 20 CHED C[C@@H](NCc1nc2c(s1)CCCC2)c1ccc(C#N)cc1 611446474 ZYUXWBRQYCXMRS-GFCCVEGCSA-N 297.427 3.744 30 20 CHED CCCN(C(=O)c1ccc(C#N)[nH]1)[C@@H](CC)c1ccccc1 269760068 WYJHMOPLRSPLFP-KRWDZBQOSA-N 295.386 3.890 30 20 CHED C=CCCC1(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)CC1 357159244 KLOVVEDYNDLPGG-GJZGRUSLSA-N 273.351 3.544 30 20 CHED CC(C)C[C@](C)(C#N)NC(=O)c1csc2ccccc12 533878079 WNPSGAFQVRWUSS-MRXNPFEDSA-N 286.400 3.959 30 20 CHED C=CCC1(NC(=O)[C@@H]2CCc3ccc(OC)cc32)CCCC1 619110278 CELVEHATCRLGIA-MRXNPFEDSA-N 299.414 3.730 30 20 CHED Cc1cc(CNC[C@@H]2CCC3(CCCCC3)O2)ccc1C#N 444005342 WLECOGLXJAKFNO-SFHVURJKSA-N 298.430 3.838 30 20 CHED Cc1ccccc1C1(CNC(=O)C2(C#N)CCCCC2)CC1 264002495 RLNMOUQUSAVRKP-UHFFFAOYSA-N 296.414 3.617 30 20 CHED C[C@H](N=c1ccc(C(F)(F)F)c(C#N)[nH]1)c1ccccc1 443411916 YISOZIRYDRWBCC-JTQLQIEISA-N 291.276 3.567 30 20 CHED N#Cc1ncccc1NCc1ccc2ccccc2c1 357179785 FXDVYQRYWAVBQY-UHFFFAOYSA-N 259.312 3.719 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@H](C)CCCC(C)C)OCC 535151399 KPZRBZFFZASUSR-HUUCEWRRSA-N 269.429 3.689 30 20 CHED C[C@H](NCC(C)(C)C#N)[C@@H](C)c1ccc(Cl)cc1 619428866 IVXGXAVTVOSJCC-NEPJUHHUSA-N 264.800 3.971 30 20 CHED C=C(C)[C@H](CC(=O)N1CC[C@@H](C2CCCCC2)C1)OCC 618184734 DWMHBUOTZFLHSK-SJORKVTESA-N 293.451 3.787 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccsc1 619787774 RNUYMUHFYLKIEB-NSHDSACASA-N 285.372 3.811 30 20 CHED C=CCC1(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CCCC1 458011287 YHHKXDHCKLBEIO-GOEBONIOSA-N 287.378 3.934 30 20 CHED C=C[C@H](C)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 455963460 ZHWJDQVYWDAWKY-UWVGGRQHSA-N 271.282 3.657 30 20 CHED CC(C)(C#N)CCSc1nccn1Cc1ccccc1 266256285 SBBGOJUBUWKZBC-UHFFFAOYSA-N 285.416 3.963 30 20 CHED CN(C(=O)CCCSC(C)(C)C)c1ccccc1C#N 269992056 JLVVREBLRGXBAO-UHFFFAOYSA-N 290.432 3.833 30 20 CHED Cc1ccccc1CN(C)Cc1ccc(OCC#N)cc1 264073395 BWQAASNKJCNHNZ-UHFFFAOYSA-N 280.371 3.529 30 20 CHED C=CCCCCNC(=O)Nc1cnn(CCC)c1C1CC1 455761665 YLATXPBITJOAAJ-UHFFFAOYSA-N 290.411 3.648 30 20 CHED C=CCn1cccc1C(=O)Nc1ccc(C2CCC2)cn1 360095453 ASYKYBPYFMSFHQ-UHFFFAOYSA-N 281.359 3.589 30 20 CHED C[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1cccc(C#N)c1 619781349 GAWYRCBTMBIRRD-YOEHRIQHSA-N 284.403 3.701 30 20 CHED CC(C)(C)OCCCSCc1cccc(C#N)c1 610703929 KFQWFQSNRAWGRB-UHFFFAOYSA-N 263.406 3.997 30 20 CHED CC(C)Cn1cc(N[C@H]2CCCc3cc(C#N)ccc32)cn1 611476794 XNYXKELXBUKNMG-SFHVURJKSA-N 294.402 3.900 30 20 CHED C[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2cc(C#N)ccc21 618803276 SBJJFPPTGZROHJ-OAUYIBNBSA-N 254.377 3.714 30 20 CHED Cn1cc(/C=C/c2nc(C(C)(C)C)cs2)cc1C#N 453026903 NPXKMCUFIRLKDO-AATRIKPKSA-N 271.389 3.821 30 20 CHED C=CCC[C@H](C(=O)NC[C@@H](CCC)OC)c1ccccc1 452297825 LJXUJCFHLWOCED-SJORKVTESA-N 289.419 3.668 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](C)c1ccc(SC)cc1 454931562 JGEUWXJZBWSIPN-LBPRGKRZSA-N 292.448 3.981 30 20 CHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc(C#N)cc1 360704906 LYSFYMPAFRCSRK-CJNGLKHVSA-N 284.403 3.845 30 20 CHED CN(CCC1CC1)C(=O)Nc1ccc(CC#N)cc1Cl 455696599 CMPKEGKDWAWVJU-UHFFFAOYSA-N 291.782 3.670 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(C)c(Cl)c1Cl 450095894 DORWQIZVKHQNDH-MRVPVSSYSA-N 258.148 3.606 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)Cc1ccc(C)c(C)c1)OCC 456946800 GOYBZHUKZSIAGV-QGZVFWFLSA-N 289.419 3.633 30 20 CHED CC1CC(C#N)(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)C1 547408161 VARYEIWNBOHWRL-HLCARVAJSA-N 296.414 3.721 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CCCC1 450154217 AUTXEMPCPFOSHI-OAHLLOKOSA-N 291.435 3.731 30 20 CHED C=C(C)CCNC(=O)N1CCCCC[C@H]1c1ccco1 458998037 JXXZQWZSLYCVRV-AWEZNQCLSA-N 276.380 3.873 30 20 CHED CC#CCCNC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 361367022 CWCJNSABEDQCHH-MRXNPFEDSA-N 284.403 3.512 30 20 CHED C=CCOc1cccc(CN[C@H]2CCO[C@@H](C(C)C)C2)c1 271497094 JZVPBXUZGJNNIY-FUHWJXTLSA-N 289.419 3.545 30 20 CHED C=C(C)CCNC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 455308640 JUVRYSOJVWKSFR-JKSUJKDBSA-N 286.419 3.849 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(Cl)ccc1C 452773019 HJWKMIMCGUKVAO-UHFFFAOYSA-N 251.757 3.590 30 20 CHED C=CCN(Cc1cnc(C2CC2)nc1)Cc1ccccc1F 459330957 SMBWSFNJVYUMNV-UHFFFAOYSA-N 297.377 3.681 30 20 CHED Cc1ccnc(N[C@@H](C)[C@@H](C)c2ccccc2)c1C#N 541349723 QBEDUKYXUFSSSP-KGLIPLIRSA-N 265.360 3.866 30 20 CHED CO[C@H]1CCC[C@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 540335210 MJHMOSULFXMKKW-FZMZJTMJSA-N 298.308 3.804 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1CC1(C#N)CC1 451987655 JPGLVMHCXANVFA-HNNXBMFYSA-N 258.340 3.575 30 20 CHED C[C@H](C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CCC1 457597971 AZKDSAUOSSVCAD-BMGDILEWSA-N 296.414 3.721 30 20 CHED CC[C@@H](N[C@H](C)CCC#N)c1cc(F)ccc1F 276273839 DMABNQOASYEDOJ-QMTHXVAHSA-N 252.308 3.698 30 20 CHED C=CCCC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 377516401 WCKXRYXOWGNUMQ-MRXNPFEDSA-N 273.376 3.715 30 20 CHED CC[C@H](NCc1sc(C)nc1C)c1ccc(C#N)cc1 278889755 YLCSXOGJFVHCLP-HNNXBMFYSA-N 285.416 3.873 30 20 CHED C=CCCCC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 279044767 XXKVEPKWKPNLMD-QMMMGPOBSA-N 292.326 3.695 30 20 CHED CCCC1(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCC1 467896757 AUKCOILBRRQIAL-AWEZNQCLSA-N 299.418 3.889 30 20 CHED C=CCCC(C)(C)NC(=O)CCC(=O)c1ccc(C)s1 620864238 XGXRUBWOUOMRJD-UHFFFAOYSA-N 293.432 3.880 30 20 CHED C=C(C)[C@H](Cc1nc(-c2cc(C)ccc2F)no1)OCC 277866655 BJZKJJOFQFMYIO-AWEZNQCLSA-N 290.338 3.708 30 20 CHED C=CCCCCNC(=O)Cc1coc2ccc(C)cc12 626490511 MSDLPZTXRYLPMA-UHFFFAOYSA-N 271.360 3.756 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[C@H](SCC)C1 466315820 BPTBIKWCEOIJQP-IHRRRGAJSA-N 284.469 3.657 30 20 CHED Cc1ccc([C@@]2(C)CCN(CCCSCC#N)C2)cc1 375917569 RSGYLYOEVGSVJP-KRWDZBQOSA-N 288.460 3.605 30 20 CHED C=C(C)CN(CC)c1nnc([C@H](C)CC)n1CC(=C)C 460773567 LGWASAITOWUORS-CQSZACIVSA-N 276.428 3.770 30 20 CHED C=CCCCCCCNC(=O)Nc1c(C)noc1C 287092956 SXTUPQZPNVPNMT-UHFFFAOYSA-N 265.357 3.549 30 20 CHED C=CCC[C@H](NCCc1ccncc1)c1ccco1 286217760 SHEWNZGCPZKBLF-HNNXBMFYSA-N 256.349 3.514 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccc(C#N)cc1 280805552 LIILDXDEENOMPL-BZSNNMDCSA-N 284.403 3.580 30 20 CHED Cc1nnc(Sc2cc(Cl)ccc2F)c(C#N)c1C 557681862 LNHQFBYPZNVAED-UHFFFAOYSA-N 293.754 3.909 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H]1C(C)C 460936420 YSHXRDNVODZOAW-CQSZACIVSA-N 276.428 3.602 30 20 CHED C=CCC[C@@H](N[C@H](C)c1ncc[nH]1)c1ccccc1 285930556 CXMHAPCFTUFWAC-UKRRQHHQSA-N 255.365 3.768 30 20 CHED CCc1cnc(CNc2cc(C#N)ccc2C(F)(F)F)o1 281348043 CEYBHNMVXYLVLD-UHFFFAOYSA-N 295.264 3.740 30 20 CHED C=CCC1(c2nc([C@H]3CCC(F)(F)C3)no2)CCC1 289265045 RFBATHBEASVEMS-JTQLQIEISA-N 268.307 3.970 30 20 CHED C=C[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 465121658 SOUFLLVGESOJHY-ZIAGYGMSSA-N 275.392 3.576 30 20 CHED C=CCCN(C)CC(=O)Nc1ccccc1-c1ccccc1 467285217 ZPPTZNADEVKTSG-UHFFFAOYSA-N 294.398 3.800 30 20 CHED Cc1ccc(Cl)c2sc(NC(=O)C(C)(C)C#N)nc12 288389345 VTWXNKUMUPFXID-UHFFFAOYSA-N 293.779 3.746 30 20 CHED C=CCC[C@@H](CCC)NC1CCN(C2CCC2)CC1 462042389 VDVVRHPDFNZNMW-OAHLLOKOSA-N 264.457 3.728 30 20 CHED C=CCC[C@@H](NC[C@H]1CCC[C@@H](CO)C1)c1ccco1 554144907 IOSBBLLIIXFYJW-ARFHVFGLSA-N 277.408 3.675 30 20 CHED N#Cc1cccc(C2(NCCc3ccccc3F)CC2)c1 556505849 OUKREDGDBPMZFH-UHFFFAOYSA-N 280.346 3.519 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC2(CCSCC2)CC1 633206271 FJMAUPHYFOXBOP-CQSZACIVSA-N 296.480 3.660 30 20 CHED C=CCCCCNC(=O)NCCc1cc2ccccc2o1 472850615 OXQXOVPBRDQLLT-UHFFFAOYSA-N 286.375 3.631 30 20 CHED Cc1cc(F)ccc1CCNc1ccc(C#N)c([N+](=O)[O-])c1 388012966 IEDXRQDCUIGREC-UHFFFAOYSA-N 299.305 3.569 30 20 CHED C=CCCCCC[C@@H](C)Nc1ccc(C2(O)COC2)cc1 809782049 HMQOMNVAYSVREL-OAHLLOKOSA-N 289.419 3.841 30 20 CHED CCCCc1ccc(N(C)C(=O)[C@@](C)(C#N)CC)cc1 808481756 OWEIQXOWQUNNNX-QGZVFWFLSA-N 272.392 3.932 30 20 CHED C=CCN(CCOC)C(=O)N[C@@H](C)CCC1CCCCC1 478837405 QIGCWWVXPJBZIK-HNNXBMFYSA-N 296.455 3.579 30 20 CHED COCC1(C/N=C/c2c(O)ccc3ccccc23)CCC1 800721195 KPTSTUMHGHNSQJ-YBFXNURJSA-N 283.371 3.781 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cnc(OC)c(Cl)c1 551240020 CIZWRZMUUAIDIP-NSHDSACASA-N 282.815 3.997 30 20 CHED CCCCCCCC(=O)Nc1ccc(Cl)c(C(N)=O)c1 298247708 WJOQQRREWDFTQZ-UHFFFAOYSA-N 296.798 3.738 30 20 CHED C[C@H](Nc1nccc(C(C)(C)C)n1)c1ccc(C#N)cc1 386418996 ZHYIDJLBCZAHHG-LBPRGKRZSA-N 280.375 3.819 30 20 CHED C#CCC(C)(C)C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 295437835 FFIWLXGDQYJOKF-OAHLLOKOSA-N 291.341 3.508 30 20 CHED N#CCCCC(=O)N1CCCCC[C@@H]1c1ccccc1 292049872 GONMQEOTSDQSSV-MRXNPFEDSA-N 270.376 3.824 30 20 CHED C#C[C@H](NC/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)(C)C 809781303 OKLFZVGZNBXUGL-DDKJEQMHSA-N 286.375 3.636 30 20 CHED CSc1ccc(C(=O)/C=C\c2cnccn2)c(Cl)c1 809158388 SWALTWHKGRFZQS-DJWKRKHSSA-N 290.775 3.748 30 20 CHED N#CCCCC(=O)Nc1ncc(C2CCCCC2)s1 291952840 QOMQLAOUOBVCHO-UHFFFAOYSA-N 277.393 3.823 30 20 CHED C[C@@H](NN=Cc1ccc(C(F)(F)F)[nH]1)c1ccccc1 807966893 RYXNBMZCFDHQGC-SNVBAGLBSA-N 281.281 3.718 30 20 CHED C=CCSCCN[C@H](C)c1nccc2ccccc12 290830036 XRLQCWSTZMQJNS-CYBMUJFWSA-N 272.417 3.805 30 20 CHED CCCCC[C@H](C)CC(=O)Nc1n[nH]c(C2CC2)c1C#N 807699130 JFSLZMINSPGASK-NSHDSACASA-N 288.395 3.704 30 20 CHED C[C@@H](C(=O)N1CCCc2cc(C#N)ccc21)c1ccccc1 297682239 GSWVDAQICAGSGA-CQSZACIVSA-N 290.366 3.641 30 20 CHED COc1cccc(O)c1/C=N/CC1CCC(F)(F)CC1 800721436 MWQPGFBHYJFANT-VCHYOVAHSA-N 283.318 3.645 30 20 CHED Cc1ccc(OCc2ccc(CC#N)cc2)c([N+](=O)[O-])c1 399008238 AUBLOBYEMIRWEV-UHFFFAOYSA-N 282.299 3.548 30 20 CHED N#Cc1cccc(OCCN(C#N)c2cccc(Cl)c2)c1 478757399 SAPDPIVRLOPMRR-UHFFFAOYSA-N 297.745 3.578 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N1CCC(CC#N)CC1 566910122 DTYNQKDGGDXOTO-QGZVFWFLSA-N 298.430 3.716 30 20 CHED CCC[C@@](C)(CC)C(=O)N1CCc2ccc(C#N)cc21 476456155 YAGYZTXIPUZSGN-QGZVFWFLSA-N 270.376 3.664 30 20 CHED C#C[C@H](CC)N[C@H](C)Cc1ccccc1C(F)(F)F 809686012 IIVOTVZOSASWLC-DGCLKSJQSA-N 269.310 3.638 30 20 CHED C/C(=C\C(=O)N(Cc1ccc(C#N)cc1)C(C)C)C1CC1 298804660 HJERLBFWVQZXLP-GXDHUFHOSA-N 282.387 3.652 30 20 CHED C=CCCc1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 297190600 FIWRKLVSXMNOCE-UHFFFAOYSA-N 285.322 3.525 30 20 CHED C#C[C@H](C)N[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 809683932 LDQPKNBCJNTYDS-NJZAAPMLSA-N 281.321 3.953 30 20 CHED C=CCC1(C(=O)NCCC2CC(OC(C)(C)C)C2)CCC1 470021430 WBIUSWWXIZDXFD-UHFFFAOYSA-N 293.451 3.833 30 20 CHED N#Cc1ccc2c(c1)[C@H](NCC(F)(F)c1ccccc1)CC2 562103404 KYPOVYOMCKCOCI-QGZVFWFLSA-N 298.336 3.927 30 20 CHED CCCCC[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 486804261 UUASCYNJYDZKSB-KRWDZBQOSA-N 299.418 3.541 30 20 CHED CC(C)=CCC[C@H](C)CC(=O)NCCc1cccc(C#N)c1 563173403 NMPCTHXZKXYPNX-INIZCTEOSA-N 298.430 3.990 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1cnc(-c2ccccc2)cn1 487732365 PBMYDMUWFYHIHJ-YJBOKZPZSA-N 295.386 3.537 30 20 CHED C=CCCCCCCCNC(=O)N1CCC[C@@H](COC)C1 812493530 MXDJBLRRXAHERU-MRXNPFEDSA-N 296.455 3.581 30 20 CHED C(=NNc1cccnn1)c1ccc(C2CCCC2)cc1 812226032 HNMIWVLNLGKRJI-UHFFFAOYSA-N 266.348 3.580 30 20 CHED CO[C@H]1C[C@@H](c2ccccc2)CCC1=NOCC1CC1 814941404 WAZCBNHWJHBOGT-RDJZCZTQSA-N 273.376 3.752 30 20 CHED COc1cccc(C=NOCCC2CC2)c1OC(C)C 814246928 IPYPDMJSQRLUJI-UHFFFAOYSA-N 277.364 3.633 30 20 CHED Cc1cccc(C)c1/C=C1\Cc2ccc(C#N)cc2C1=O 811695333 DEJADYRUKGURCE-MHWRWJLKSA-N 273.335 3.998 30 20 CHED CCC(Cc1ccc(OC)c(OC)c1)=NOC/C=C/Cl 811670448 SJWMWPWTBQZAEX-DZVXKPJGSA-N 297.782 3.781 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccccc1SC 488857397 QDLXQTJWSGLNHT-LBPRGKRZSA-N 261.390 3.589 30 20 CHED C#CCOc1ccccc1-c1noc([C@H](C)C(C)(F)F)n1 815673911 GRVQWJRRAHTLKL-JTQLQIEISA-N 292.285 3.507 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)C=C1CCCC1 819737420 XRIBGYZXOZSFSP-CYBMUJFWSA-N 268.360 3.578 30 20 CHED C#C[C@H](NCc1cc(O)cc(C(F)(F)F)c1)C(C)(C)C 811507512 FGCFTEGLGSVMBQ-ZDUSSCGKSA-N 285.309 3.549 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cccnc1 812232982 OVMWWQYIQZYUIQ-UHFFFAOYSA-N 253.349 3.959 30 20 CHED C=CCOc1ccc(COC(=O)C(F)(F)CC=C)cc1 816021631 UYPZRCUCOGWPSU-UHFFFAOYSA-N 282.286 3.506 30 20 CHED Clc1cccc(CNN=Cc2cccc3cc[nH]c23)c1 814867965 RIVRSPJJXBITAV-UHFFFAOYSA-N 283.762 3.945 30 20 CHED CCCCC[C@@H]1CCCN1c1ccc(C#N)c(C)n1 488110944 FKMDPHBFCSGYGW-OAHLLOKOSA-N 257.381 3.811 30 20 CHED CC(=NNc1ccc(F)cc1Br)c1ccc[nH]1 812461599 BILSBRXBBQOGBT-UHFFFAOYSA-N 296.143 3.752 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1sccc1C 488813443 HSMIIJZFNCTGCU-MCIONIFRSA-N 275.417 3.727 30 20 CHED C[C@H](NN=Cc1cc(F)c(F)c(F)c1)c1ccccc1 727969468 GUVAERJDRVNVDL-JTQLQIEISA-N 278.277 3.789 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 812639680 KXPUUMFTBYGUMC-KCPJHIHWSA-N 257.333 3.599 30 20 CHED C#Cc1cccc(NC(=S)N(C)c2ccc(C)cc2)c1 726489221 HPVNAKLQEDDFNX-UHFFFAOYSA-N 280.396 3.810 30 20 CHED N#Cc1cc(OCc2ccc(F)cn2)ccc1C(F)(F)F 810020527 SBRJEZNXNLRGHJ-UHFFFAOYSA-N 296.223 3.690 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F 489088274 BBNUPPLOAQXSPK-TUAOUCFPSA-N 292.345 3.714 30 20 CHED CC(=NNc1ccc(C)nn1)C12CC3CC(CC(C3)C1)C2 729936310 PCAOUSADQNINRY-UHFFFAOYSA-N 284.407 3.789 30 20 CHED C=C[C@@H]1CCCCN1C(=O)NCCc1ccc(C)cc1C 495168752 CDWBBSTZNGIBLY-QGZVFWFLSA-N 286.419 3.596 30 20 CHED C=CCCCCN[C@@H](C(C)C)[C@H](O)c1ccccc1 829634929 OOEYMAHHXMUZLR-DLBZAZTESA-N 261.409 3.691 30 20 CHED C=CCCC(=O)OCc1cccc(C(F)(F)F)c1 726655766 UTIOPENENKMCLF-UHFFFAOYSA-N 258.239 3.715 30 20 CHED C[C@H]1C[C@@H](C(=O)N(C)c2cccc(C#N)c2)CC[C@H]1C 573291443 SXMPEUZZZYQRGN-IPYPFGDCSA-N 270.376 3.593 30 20 CHED C=C(C)CCc1noc(COc2ccsc2Cl)n1 576073225 PGFMVZAOMIWTJA-UHFFFAOYSA-N 284.768 3.872 30 20 CHED CN(CC#N)Cn1cc(-c2ccc(Cl)cc2)oc1=S 725771603 IDHGTPXXCVLKRE-UHFFFAOYSA-N 293.779 3.544 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)o1 726876533 SWIRVACUUJGXFV-SNAWJCMRSA-N 285.130 3.524 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@@H](CC)C(C)C)c1 729372958 XWQQEXAERFNVDQ-OAHLLOKOSA-N 257.377 3.703 30 20 CHED C=CCC[C@@H](NC[C@@H](C#N)CCC#N)c1ccccc1 570710965 PAQJGHHQYXSWNH-NVXWUHKLSA-N 267.376 3.727 30 20 CHED CC(CCc1ccco1)=NNc1cnc2ccccc2n1 727256664 SOPPUCMBVWLNCX-UHFFFAOYSA-N 280.331 3.643 30 20 CHED CCCc1nc(COC(=O)C2(C#N)CCCCC2)cs1 728334166 NYCJWFZLGSEBAE-UHFFFAOYSA-N 292.404 3.613 30 20 CHED C=CC[C@H](NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccncc1 825859042 OVVVONDLONLVCL-SRABZTEZSA-N 286.419 3.887 30 20 CHED CC(C)c1ccc(CCC(=O)N(C)CC(C)(C)C#N)cc1 497442677 RGTXVCDLWAEDPX-UHFFFAOYSA-N 286.419 3.751 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccccc1-c1cc[nH]n1 824157674 KCOCOEGYILKZDH-GFCCVEGCSA-N 269.348 3.618 30 20 CHED C#Cc1ccc(C(=O)N[C@H](CC)c2cccc(Cl)c2)nc1 728811198 SFWJDLSGJJKLNG-OAHLLOKOSA-N 298.773 3.597 30 20 CHED C=CCC1(NCc2nnc(C(F)(F)F)s2)CCCC1 661851459 VKJLBFNRUBMCSH-UHFFFAOYSA-N 291.342 3.535 30 20 CHED CCCn1nc(C)c(/C=C\C(=O)c2sccc2O)c1C 588599276 WESBLCYIKRNLRF-WAYWQWQTSA-N 290.388 3.573 30 20 CHED COc1cccc(NN=C(C)c2ccnn2CC2CCC2)c1 901160315 XIVVNHNGNHTMAV-UHFFFAOYSA-N 298.390 3.528 30 20 CHED C=CC[C@@H](NCc1cc(C)ccc1NC)c1ccncc1 902244258 GHMIFLCTLNZUSV-GOSISDBHSA-N 281.403 3.839 30 20 CHED C=CCN(CCc1ccccc1)[C@H](C)c1ccccn1 584710902 HPOFYWGJQROTLH-MRXNPFEDSA-N 266.388 3.873 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CC[C@@H](C)C2)cc1 581497022 JERFBSCXJNRSKG-COXVUDFISA-N 284.403 3.708 30 20 CHED C=CCN(C)Cc1csc(-c2ccc(CC)cc2)n1 494626347 PBEWGPSMNBDSJL-UHFFFAOYSA-N 272.417 3.990 30 20 CHED Cc1ccc2c(c1)C(=NNc1cnnc3ccccc13)CC2 733750194 PGNXXSNVHDMTHH-UHFFFAOYSA-N 288.354 3.701 30 20 CHED C#Cc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 834902540 IQHMDBIOJPARID-SFHVURJKSA-N 277.367 3.541 30 20 CHED CSc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)ccc1F 839051609 DXGFRPCTFQKGMG-ZYHUDNBSSA-N 293.363 3.787 30 20 CHED C=CCC(C)(C)c1noc([C@H](c2ccccc2)N(C)CC)n1 581205142 IJQVOCZGHVASSN-HNNXBMFYSA-N 299.418 3.964 30 20 CHED CCCC[C@H](C)N(C)C(=O)c1cc2ccccc2n1CC#N 589670193 BAKRUEMYYDCDLX-AWEZNQCLSA-N 297.402 3.816 30 20 CHED CSC[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 839434656 FHALPNGRQZIDET-LLVKDONJSA-N 284.384 3.649 30 20 CHED C=CCCCOC(=O)c1cccnc1SC(F)(F)F 735532571 OUKQWSOOFJNMNI-UHFFFAOYSA-N 291.294 3.817 30 20 CHED CC(C)(C)Nc1ccccc1NCc1cc(C#N)ccn1 901404737 LMKPGQVGBIZDOA-UHFFFAOYSA-N 280.375 3.776 30 20 CHED C=C(CN[C@@H](C)c1nc2ccccc2n1C)c1ccccc1 678683725 HXIWJMOCJRUCOU-HNNXBMFYSA-N 291.398 3.937 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(C(C)=O)c1)OCC 582973467 ZVLXRGNPUNDUAX-MRXNPFEDSA-N 289.375 3.507 30 20 CHED CCc1ccccc1NN=C1C(=O)Nc2ccc(Cl)cc21 915051613 JXFYHKSEQUGHBA-UHFFFAOYSA-N 299.761 3.671 30 20 CHED C=C(CNC(=O)[C@H](C)C1CCCC1)c1ccccc1 672480816 SSADOPLGEOPVEN-CQSZACIVSA-N 257.377 3.642 30 20 CHED COc1ccc(O)c(/C=N/C[C@H]2CCc3ccccc32)c1 731937768 NLSKVEFJTLTJIM-ONDHQXCVSA-N 281.355 3.550 30 20 CHED COc1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1C1CC1 839059848 RUZNRNYXXQKODI-DOMZBBRYSA-N 299.370 3.812 30 20 CHED C=C[C@@H](C)NC(=O)CCCc1ccc2ccccc2c1 678852105 FHXPAQJWMSHWET-CQSZACIVSA-N 267.372 3.853 30 20 CHED COc1cccc(C=NNc2cc(C)ccc2C)c1 916345543 FGHAHDJEWDEXGF-UHFFFAOYSA-N 254.333 3.758 30 20 CHED C=CC(C)(C)COC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 835723179 PVHQQIDRKWVPHK-UONOGXRCSA-N 268.397 3.583 30 20 CHED CC[C@H]1CCCC[C@H]1CNC(=O)CCCCCC#N 590768240 ORMDBEPJEGVJJH-GJZGRUSLSA-N 264.413 3.793 30 20 CHED CC[C@@H](C)C(C)=NNc1ncccc1C(F)(F)F 915051105 LDHZJRSRFVUCHE-MRVPVSSYSA-N 259.275 3.934 30 20 CHED C=C(C)CCOC(=O)[C@H]1C[C@@H]1c1sccc1C 748875555 HCVHMOJIGZDLJF-RYUDHWBXSA-N 250.363 3.669 30 20 CHED C[C@@H](C#N)N(C(=O)c1ccc(-c2ccccc2F)o1)C1CC1 598127051 MVGMPCBYSNJASH-NSHDSACASA-N 298.317 3.602 30 20 CHED N#CC1(Cc2nc([C@@H]3CCC(F)(F)C3)no2)CCCCC1 596599170 QVUXWTFWOAQTNY-LLVKDONJSA-N 295.333 3.989 30 20 CHED CCC[C@H](NC(=O)N1CCC[C@H](CC#N)C1)C1CCCC1 595647098 UEOCKBSSSDVAOD-ZBFHGGJFSA-N 291.439 3.681 30 20 CHED Cc1ccc(C=NNc2cc(F)c(F)c(F)c2)s1 747642916 YIECVLITLNWCSF-UHFFFAOYSA-N 270.279 3.920 30 20 CHED C=CCCOCc1nc(-c2cccc3ccccc23)no1 598867986 KZQPHLHKUPJKLB-UHFFFAOYSA-N 280.327 3.983 30 20 CHED C#CCN(C(=O)[C@@H](C)SCCCC)C1CCCCC1 743689801 COXFZOKEBQBRDB-CQSZACIVSA-N 281.465 3.703 30 20 CHED C[C@H](NC(=O)N[C@@H]1C[C@H]1CC(C)(C)C)c1ccc(C#N)cc1 593149798 VSMXLIPCWRJOSA-VBNZEHGJSA-N 299.418 3.743 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 916249360 GLYJFMGCDVYAFG-UHFFFAOYSA-N 291.257 3.709 30 20 CHED C=C(C)CON=Cc1c(C)nc2scc(C3CC3)n12 844618696 FJNPONVYDWDNHB-UHFFFAOYSA-N 275.377 3.508 30 20 CHED CCCCc1nc(CN2CCC[C@@H](CC#N)C2)cs1 595610771 BYFCDUNQDXGWOS-ZDUSSCGKSA-N 277.437 3.611 30 20 CHED C=C(Cl)CN1CCC[C@H]1Cc1ccc(F)cc1 917984153 MRMZZPSGPGHPGS-AWEZNQCLSA-N 253.748 3.585 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1ccc2c(c1)COC2 749004524 DKLDLFRVYFFDKF-ORCRQEGFSA-N 285.730 3.661 30 20 CHED C#CCCCOC(=O)c1ccc(Cl)c(C(F)(F)F)c1 747214523 IBAITNJXILHKCJ-UHFFFAOYSA-N 290.668 3.929 30 20 CHED CC[C@@H](C/N=C/c1ccccc1O)Oc1ccccc1F 749008573 XWJACGJRLBYDOZ-YRIIZNAFSA-N 287.334 3.808 30 20 CHED C=CCC(C)(C)c1noc(C2SCCCS2)n1 842506059 XUHJWGQBNXJJEW-UHFFFAOYSA-N 270.423 3.792 30 20 CHED C=CCCCC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F 685895642 PBFWJXDRSOXIIZ-AWEZNQCLSA-N 299.336 3.880 30 20 CHED Cc1cc(C#N)ccc1N1CC[C@H](C(F)(F)F)[C@H]1C 846756375 XRAZDJARUKMTFK-PWSUYJOCSA-N 268.282 3.644 30 20 CHED CCN(Cc1csc(C2CCCC2)n1)C[C@@H](C)C#N 69194046 CFGVDMQAFVHXNN-LBPRGKRZSA-N 277.437 3.782 30 20 CHED Cc1nc(Cl)cc(NN=Cc2ccc([C@H]3C[C@H]3C)o2)n1 741764290 YZVKFWGADBGOMA-KCJUWKMLSA-N 290.754 3.601 30 20 CHED N#Cc1cccc(Cl)c1N1CCC[C@H](OC2CCC2)C1 594594073 KMSHVKODTRUNPS-AWEZNQCLSA-N 290.794 3.750 30 20 CHED CC1=C(C)C[C@@H](C(=O)N[C@@](C)(C#N)CC(C)C)CC1 592606846 AORRCXZJMJWEEC-GOEBONIOSA-N 262.397 3.567 30 20 CHED CC1(C)CC(CNC[C@H](C#N)CCC#N)CC(C)(C)C1 594719211 AOGFXJWDFZZYEH-AWEZNQCLSA-N 275.440 3.872 30 20 CHED N#Cc1ccccc1COC(=O)c1cccc(F)c1Cl 744087923 GVUQZBAEZIMXPJ-UHFFFAOYSA-N 289.693 3.708 30 20 CHED C=C[C@H](C)ONC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 846548454 OBMASSXSCJTIGQ-PMPSAXMXSA-N 297.439 3.764 30 20 CHED N#CC1(CCOC(=O)c2c(F)cccc2F)CCCCC1 840013408 WPOXWASVUDFDQG-UHFFFAOYSA-N 293.313 3.986 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1S[C@@H](C)CC#N 593454882 NODGVEJPFWVPLC-RYUDHWBXSA-N 287.388 3.569 30 20 CHED C=CC[C@@H](C(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1 681661143 PRECHZQONYDTII-BLLLJJGKSA-N 298.386 3.829 30 20 CHED CCCCCCCCCC(=O)NO[C@H]1CCCCO1 749618491 JAQQPAULUDORMK-HNNXBMFYSA-N 271.401 3.702 30 20 CHED C=CCCCCCCCNC(=O)Nc1ccc(CN)cc1 841323000 VVAYLTHUZGHFPN-UHFFFAOYSA-N 289.423 3.793 30 20 CHED C[C@H]1CCC[C@@H](CC(=O)Oc2ccc(C#N)cc2)C1 749784830 QSXBOBKWEBDPMY-GXTWGEPZSA-N 257.333 3.680 30 20 CHED C#CCCCC(=O)N1CCc2cc(C(C)(C)C)ccc21 757896060 FMUZWEIVGWGKAM-UHFFFAOYSA-N 269.388 3.677 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1ccoc1 755891251 BGQBFXUPIBYCLQ-UHFFFAOYSA-N 252.676 3.908 30 20 CHED N#Cc1ccccc1C=NNc1cccc2cnccc12 755698262 KXBMLESGWOSRBU-UHFFFAOYSA-N 272.311 3.552 30 20 CHED C[C@@H](C(=O)OCc1cc(F)ccc1C#N)c1ccccc1 751983506 JZVKPRCRGNNNDA-GFCCVEGCSA-N 283.302 3.544 30 20 CHED C#CC[C@@H](NC(=O)c1cccc(C)c1F)c1ccccc1 757581314 XAOJMTULNASLGD-MRXNPFEDSA-N 281.330 3.629 30 20 CHED C=CCC1(NC(=O)C2(F)CCCCC2)CCCC1 855928227 LHIVARXMZICDFP-UHFFFAOYSA-N 253.361 3.664 30 20 CHED N#CCc1ccc(C(=O)Oc2cccc3ncccc23)cc1 759807100 AVOMXKXGFPEOIZ-UHFFFAOYSA-N 288.306 3.520 30 20 CHED C=C(Cl)CNCc1cc(OC)cc(C(C)(C)C)c1O 850143535 FQBMDCGNHGXJOI-UHFFFAOYSA-N 283.799 3.540 30 20 CHED C=C[C@H]1CCCCN1Cc1nc(-c2ccccc2C)no1 683792895 FSTKTECIKAJGRM-AWEZNQCLSA-N 283.375 3.586 30 20 CHED CCC(=NOc1ccccc1C(F)(F)F)[C@@H]1CCOC1 754722391 CZJRFQLDBXSWEE-SNVBAGLBSA-N 287.281 3.887 30 20 CHED CCOc1ccc(N(C)Cc2cc(F)ccc2C#N)cc1 759346521 ZDVGTHZGTRRZPO-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C/C(=C/c1ccccc1Cl)C(=O)N1CCC[C@H](C#N)C1 928223219 YMPSYFUPAKDNOV-KIWPFMIBSA-N 288.778 3.505 30 20 CHED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@](C)(C#N)C1 935354666 YCCHWOBNONKMFI-KRWDZBQOSA-N 288.391 3.651 30 20 CHED CCc1nc(C(C)C)ccc1CN1CCC[C@H](C#N)C1 932154106 DPHYCBJBKVARIC-CQSZACIVSA-N 271.408 3.503 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](c1ccccc1)c1cccnc1 931891800 VQULJMCGDNFFKA-DNVCBOLYSA-N 294.398 3.890 30 20 CHED N#Cc1cc(Cl)nc(NN=C2CCC[C@@H](C3CC3)C2)c1 768381460 HEUVXAKMIHGPDJ-GFCCVEGCSA-N 288.782 3.975 30 20 CHED CCCCCCCC(=O)NC[C@@H](c1ccccc1)N(C)C 935884751 ZKMYILKYEPPDIL-KRWDZBQOSA-N 290.451 3.766 30 20 CHED N#CCc1ccc(NCc2cc(Cl)cc(F)c2O)cc1 761220337 ANYDPILWAOLTFT-UHFFFAOYSA-N 290.725 3.863 30 20 CHED C=CCN(C(=O)c1ccc(Cl)c(F)c1)C(C)C 765775603 CMGZOXQJUOTUII-UHFFFAOYSA-N 255.720 3.516 30 20 CHED C=CCOc1ccc(COC(=O)CC[C@@H](C)SC)cc1 763642282 VLESGWXTUCCZFL-CYBMUJFWSA-N 294.416 3.826 30 20 CHED CCc1ccccc1CCNc1ccc(F)cc1OCC#N 766769038 LXUGZFUURNEXQQ-UHFFFAOYSA-N 298.361 3.945 30 20 CHED C=CCCC(=O)OCCCSCc1ccccc1 761396483 DOWGOSGWILDGHE-UHFFFAOYSA-N 264.390 3.819 30 20 CHED CCCCCCCCNC(=O)c1conc1C(C)C 860402592 GWLVOOCXAGYPGH-UHFFFAOYSA-N 266.385 3.888 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)C(C)(C)C)cc1 768542036 DIDAGGZZTCFBGQ-KBPBESRZSA-N 274.408 3.844 30 20 CHED CC(Cc1ccncc1)=NNc1ncc(Cl)cc1Cl 767760058 DPFVASVIAZULAT-UHFFFAOYSA-N 295.173 3.814 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H](C)c1cc(F)cc(F)c1 860596447 MHLSQLSAXWHIRA-SNVBAGLBSA-N 281.302 3.899 30 20 CHED CC(C)(C#N)CCCCOC(=O)c1cc(F)c(F)c(F)c1 768681179 VWZHRNIWFGDUFN-UHFFFAOYSA-N 299.292 3.981 30 20 CHED C#CCCN(CC(F)(F)F)C(=O)C[C@H](C)c1ccccc1 767154492 LNNNQLODANTGQG-ZDUSSCGKSA-N 297.320 3.594 30 20 CHED CC(=NNc1ccc(F)c(Cl)c1)[C@]1(C)CCCO1 863178907 KHILQJRDDANOBH-ZDUSSCGKSA-N 270.735 3.836 30 20 CHED CSc1ccccc1C(=O)/C=C/c1ccnn1CC1CC1 1118380438 VDXRRLZUPCSQGP-CMDGGOBGSA-N 298.411 3.911 30 20 CHED CC#CCNC(=O)Nc1ccc(SC(C)(C)C)cc1 776298961 FZLCXMNWLJJCFV-UHFFFAOYSA-N 276.405 3.722 30 20 CHED C=C(C)CNc1nc(-c2cccnc2)nc2ccccc12 777789273 ARKBQZGUMZBTCJ-UHFFFAOYSA-N 276.343 3.680 30 20 CHED COc1cc(Cl)ccc1N=Cc1ccccc1O 773905390 HQRUNLXEGVDYPL-UHFFFAOYSA-N 261.708 3.805 30 20 CHED C#CCCCCCC(=O)NC(C#N)(CCC)CCC 779976981 JIPBLUFAQBGSAE-UHFFFAOYSA-N 262.397 3.549 30 20 CHED CCCC[C@@H](C)C(=O)Nc1cc(C#N)c(F)cc1F 876350791 SAWUVXFKLZISKV-SECBINFHSA-N 266.291 3.601 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(-n2cccn2)cc1 873852486 KNEOPFXDLMOKKU-UHFFFAOYSA-N 294.333 3.848 30 20 CHED C=C[C@@H](CC(=O)OC1CCSCC1)c1ccccc1 873557257 JVLDMQWLZQOTFJ-ZDUSSCGKSA-N 276.401 3.785 30 20 CHED C#CCCCCCC(=O)NC(C)(C)c1ccccc1 779876860 FCNNXROKWDIXPA-UHFFFAOYSA-N 257.377 3.622 30 20 CHED COc1ccc2c(c1)CCCCN2CCC(C)(C)C#N 776598064 PYICTFMNALDPDV-UHFFFAOYSA-N 272.392 3.778 30 20 CHED C=CCC(C)(C)CNC(=O)Cn1cc(C)c2ccccc21 1117766888 UURLQUSIHXKGGZ-UHFFFAOYSA-N 284.403 3.668 30 20 CHED CC(C[C@H]1CCOC1)=NNc1cc(Cl)ccc1F 872418533 UXWGOTNAFBAFKF-SNVBAGLBSA-N 270.735 3.694 30 20 CHED Oc1ccccc1/C=N/[C@H]1CCCOc2c(F)cccc21 777873547 OGVDQZPFLUYKPT-BKQORJHRSA-N 285.318 3.864 30 20 CHED C#CCCCCC(=O)Nc1ncc(C(C)(C)C)s1 773402033 ONXAWIVOGXIEDS-UHFFFAOYSA-N 264.394 3.573 30 20 CHED CC(=NNc1ccccc1OC(F)(F)F)c1cccnc1 777451755 PEADWBRHYDMHFY-UHFFFAOYSA-N 295.264 3.816 30 20 CHED C=C(C)CCC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 1121188667 XZCFXHIIYUZTIF-GOSISDBHSA-N 299.414 3.553 30 20 CHED C#CCCNc1ccc(Oc2ccccc2)c(C#N)c1 777616076 CBFQSKCMPWRNHR-UHFFFAOYSA-N 262.312 3.786 30 20 CHED CCOCCON=C(CC)c1ccc(Cl)s1 774417642 PJDUMMVHRUVKJO-UHFFFAOYSA-N 261.774 3.569 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)[C@H](C#N)c1ncc(Cl)n1C 1123234500 WBFQMEWXIDXQQM-QWRGUYRKSA-N 295.814 3.712 30 20 CHED CO[C@H](C(C)=NNc1ccc2[nH]ncc2c1)c1ccccc1 782269810 VCYCOLZDXWZRPU-QGZVFWFLSA-N 294.358 3.738 30 20 CHED CC(=NNc1ncccc1[N+](=O)[O-])C1CCC(F)(F)CC1 788717879 HJOIEEUHXQEJDQ-UHFFFAOYSA-N 298.293 3.603 30 20 CHED C=CCCCCCOC(=O)c1ncoc1C(C)C 783623462 FAQXGQDWHLMMDA-UHFFFAOYSA-N 251.326 3.701 30 20 CHED C=C(C)CNC(=S)Nc1cc(F)c(SC)c(F)c1 783756841 NOJGCLOOVCYOBQ-UHFFFAOYSA-N 288.388 3.549 30 20 CHED C=CCCN(C[C@@H]1CCCCO1)OCc1ccccc1 782670157 ZWGKAJVHHJKNRM-KRWDZBQOSA-N 275.392 3.565 30 20 CHED Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cnc1Cl 785617102 JVMLXPNYMOTFMX-MRXNPFEDSA-N 297.789 3.692 30 20 CHED C=CCCCCCOC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C 784844758 KRKIDAJSOSTZDC-KBPBESRZSA-N 280.408 3.917 30 20 CHED CCCCCCCCNC(=O)N1CCC[C@](C)(C#N)C1 784389429 PDNOGDYINVIPGD-MRXNPFEDSA-N 279.428 3.682 30 20 CHED CC[C@H](C#N)OC(=O)C1(Cc2ccc(Cl)cc2)CC1 781201033 BDOFABMATJFFBG-CYBMUJFWSA-N 277.751 3.508 30 20 CHED C[C@H](NN=Cc1scnc1C1CC1)c1ccccc1 782202062 WPTWWBDEQAIGFR-NSHDSACASA-N 271.389 3.705 30 20 CHED CC(CCCC(C)C)=NNc1ncncc1Cl 780278934 GPEVQKMKSFDOHB-UHFFFAOYSA-N 254.765 3.744 30 20 CHED Cc1cc(/C=C/C(=O)c2cscn2)cc2cccnc12 783712187 DAHGXRMSTZTHDE-SNAWJCMRSA-N 280.352 3.896 30 20 CHED O=C(/C=C\c1scnc1C1CC1)c1ccc2c(c1)OCO2 782301468 MCTUXYWVYVWNHO-XQRVVYSFSA-N 299.351 3.645 30 20 CHED C=C[C@@H]1OCC[C@H]1Nc1ccc(C(F)(F)F)c(Cl)n1 894068379 VOLBJBDCQWIFHS-BDAKNGLRSA-N 292.688 3.509 30 20 CHED Cc1ccc2c(C(=O)OC3(C#N)CCC3)csc2c1 796752677 HUAVEKWCFSRNJW-UHFFFAOYSA-N 271.341 3.813 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2ccc(OCC3CC3)cc2)C1 799722931 SJMMBKVJIMJQOQ-UKRRQHHQSA-N 256.349 3.580 30 20 CHED Cc1cccc([C@@H](C)OC(=O)c2ccc(F)c(C#N)c2)c1 790533344 KOWDACKMYKEWPY-GFCCVEGCSA-N 283.302 3.924 30 20 CHED CN(C)c1ccc(N[C@H]2CC[C@H](C#N)C2)cc1Cl 799724914 TUBWEIWSVGWKGL-QWRGUYRKSA-N 263.772 3.510 30 20 CHED C=CC[C@@H](C(=O)OCc1cc(C)ccn1)c1ccccc1 791454232 ZSGRQKKGUPBVNN-QGZVFWFLSA-N 281.355 3.793 30 20 CHED C=C(C)CCOC(=O)[C@H](C)Cn1ccc2ccccc21 797079368 OAUPZQHIPKZWHQ-CQSZACIVSA-N 271.360 3.787 30 20 CHED CC(=NNc1ccccc1[N+](=O)[O-])c1cc(C)c(C)o1 799865410 YVVAHCYOEKZOEW-UHFFFAOYSA-N 273.292 3.641 30 20 CHED CC[C@H](C)CON=C1CCC2(CCOCC2)CC1 793163184 GZBDTFVIUUHLNF-ZDUSSCGKSA-N 253.386 3.776 30 20 CHED N#CC[C@H](CC(=O)Oc1ccc(F)cc1)c1ccccc1 792865576 UHGFYSNDARMDKR-CQSZACIVSA-N 283.302 3.819 30 20 CHED COC1(C=NNCc2cccc(Cl)c2)CCCCC1 790167557 UQXSPLOIURTEHV-UHFFFAOYSA-N 280.799 3.765 30 20 CHED CC(=NNc1ncccc1F)[C@H](C)c1ccccc1 794982788 BKYCBADUPCIKNN-NSHDSACASA-N 257.312 3.812 30 20 CHED Cc1ccnc(N2CCC3(CCCCC3)CC2)c1C#N 135076328 WGIDBBURHXZLIP-UHFFFAOYSA-N 269.392 3.812 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1cccc(F)c1Cl 135154830 VMCJEQURAMYEOH-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C=C(Cl)CN1CC[C@@H]1c1ccc(Br)cc1 1307951753 KSWZVJFVONHKRL-GFCCVEGCSA-N 286.600 3.948 30 20 CHED CC1(C)C[C@]1(CNc1cccc(C#N)n1)c1ccccc1 1163775323 PFPQSMLCQXBVDZ-SFHVURJKSA-N 277.371 3.733 30 20 CHED C=C(Cl)CNC(=O)N[C@H]1c2ccccc2CCC[C@H]1C 1312465725 WYWCDBWFNJLKBA-IAQYHMDHSA-N 292.810 3.752 30 20 CHED C[C@H](C#N)OCCNc1ccc(OCc2ccccc2)cc1 390782602 SGEIGPWFRSQEFM-OAHLLOKOSA-N 296.370 3.606 30 20 CHED O=[N+]([O-])c1cccc(NN=Cc2ccc3c(c2)CCC3)c1 1318776990 JVUFEQIDEMNKOA-UHFFFAOYSA-N 281.315 3.530 30 20 CHED CC(C)(C)ON=Cc1cc(Cl)cc(Cl)c1O 1319576304 DQYNRTNRBHAGHZ-UHFFFAOYSA-N 262.136 3.848 30 20 CHED C[C@H](Cc1ccccc1Cl)NCCc1ccc(C#N)cc1 1170250131 GDRJYUZOJKJPHF-CQSZACIVSA-N 298.817 3.975 30 20 CHED N#Cc1cc(Cl)ccc1N1CCc2cccc(F)c2C1 301975568 VTNNPVBDAGQHRK-UHFFFAOYSA-N 286.737 3.913 30 20 CHED CC(=NNCc1ccc(F)cc1)c1ccccc1C 1323965315 ZNXBQUJHZNSWAU-UHFFFAOYSA-N 256.324 3.648 30 20 CHED CSc1ccccc1C(C)=NN=c1cc[nH]cc1Cl 1322614768 OIVWFAYVRJMXGJ-UHFFFAOYSA-N 291.807 3.715 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1ccc(C)s1 187515385 FYKHUHJMWVOZIB-UHFFFAOYSA-N 264.394 3.601 30 20 CHED C=C[C@H](COC)NCc1ccc(-c2ccc(F)cc2C)o1 1320426580 ODUFRNOFYJHBKT-CQSZACIVSA-N 289.350 3.685 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N1CCC[C@@](C)(C#N)C1 590705953 RUAJJPLRSSGBMP-HOCLYGCPSA-N 264.413 3.601 30 20 CHED C=C[C@@H](Cc1nnc(CC(F)(F)F)o1)c1ccccc1 1328404171 XUGKLIGMRDDECV-JTQLQIEISA-N 282.265 3.687 30 20 CHED CC[C@H](CC(F)F)CN1CCCC(C)(C)[C@H]1C#N 595463859 BBTJFQYRRRFXQE-VXGBXAGGSA-N 258.356 3.682 30 20 CHED CCCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1CCO 779225081 LJNIXUWVQUJTPC-ARFHVFGLSA-N 255.446 3.876 30 20 CHED C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccc(C#N)cc1 94423272 BCYKONGKMRGDTL-WFASDCNBSA-N 272.392 3.555 30 20 CHED C=C[C@H](COC)N[C@@H]1CCC(C)(C)c2ccccc21 1339696550 JCGCCOGURYZOJY-CZUORRHYSA-N 259.393 3.590 30 20 CHED C=C(C)CCC(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C 1262733886 GIWPVFYXNHXXOA-WBVHZDCISA-N 287.403 3.640 30 20 CHED CC1(C)c2ccccc2CCN1Cc1ccc(F)cc1C#N 1195385769 ZEOUZKLXCFZQRT-UHFFFAOYSA-N 294.373 3.991 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)ccc2C)C1 1265313533 JMZWDXXREQQSKL-HIFRSBDPSA-N 270.376 3.565 30 20 CHED CCCCS[C@H](C)C(=O)OCc1ccc(C#N)s1 1346540307 LPSJVXIOXLIRIT-SNVBAGLBSA-N 283.418 3.585 30 20 CHED Cc1cc(C#N)ccc1CSCCCn1ccnc1C 1348594290 VJWCWYDOURTKNX-UHFFFAOYSA-N 285.416 3.695 30 20 CHED Cc1cnc([C@@H](C)NCCCCC2(C#N)CCC2)s1 1262258677 QDZCZSWQKSENSD-CYBMUJFWSA-N 277.437 3.966 30 20 CHED CC(=O)c1cc(C(=O)Nc2cc(C)cc(C#N)c2)ccc1C 1275797370 SMKZMXTUHWADFW-UHFFFAOYSA-N 292.338 3.630 30 20 CHED C=C(C)CCC(=O)N(Cc1ccc(C#N)cc1)C(C)C 1357846375 DANFTPKWKZOMAP-UHFFFAOYSA-N 270.376 3.652 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C)c(C#N)c1 1523823357 VEBVVWPBWOMXQC-ZBFHGGJFSA-N 284.403 3.813 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](C(=O)O)[C@H]1C 1605267626 ZHDHHZMAJBNRKB-HUUCEWRRSA-N 297.439 3.839 30 20 CHED CC[C@H](C#N)c1ccc(-c2cc(C(=O)O)ccc2CO)cc1 1604865203 VYZLXNDSQSNQJM-GFCCVEGCSA-N 295.338 3.561 30 20 CHED COc1cc(C#N)ccc1NC(=O)N[C@@H](C)CC(C)(C)C 1476369942 KPHHJGBSEHYTEM-NSHDSACASA-N 289.379 3.513 30 20 CHED C=C(Cl)CNC(=O)Nc1csnc1-c1ccccc1 1476756202 ZBHPONLVEDDDHQ-UHFFFAOYSA-N 293.779 3.684 30 20 CHED CC(C)C(C)(C)CNC(=O)[C@@H](C#N)CCc1ccccc1 1556239191 KYBFCVYRRLLQGC-MRXNPFEDSA-N 286.419 3.557 30 20 CHED CC[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CCC(C)C 1495049346 MHPGWICDSLNLCW-KBPBESRZSA-N 291.443 3.576 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@H]1C 1566403001 JSSGNSIIYIDQEH-TZMCWYRMSA-N 285.391 3.755 30 20 CHED Cc1cc(C)c(/C=C\CNc2n[nH]c(C)c2C#N)cc1C 1658083665 JNGKWIUBUJBWTG-WAYWQWQTSA-N 280.375 3.640 30 20 CHED CC(C)c1nc2ccc(Nc3cncc(C#N)n3)cc2s1 1651446216 RADCCQOYFYUSST-UHFFFAOYSA-N 295.371 3.825 30 20 CHED Cc1cccc(NC(=O)c2ccc(C#N)cc2F)c1Cl 1530980848 MNVGPZRJNPTBHP-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C#C[C@H](NCc1cccc(C(=O)O)c1)c1ccc(Cl)cc1 1588385341 DYDLOPZFUUYKJO-INIZCTEOSA-N 299.757 3.502 30 20 CHED CCO[C@H]1C[C@H](N(C)CCC(C)(C)C#N)C1(CC)CC 1652780542 JCCRRPUQBFOXCV-GJZGRUSLSA-N 280.456 3.842 30 20 CHED CCc1cccc(C=NNc2ccc(C(=O)O)c(F)c2)c1 1776076070 UQYCZJQUHYXWKO-UHFFFAOYSA-N 286.306 3.532 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)O)o2)cc1 1776114113 GEUIKLQFVKMQBM-PNQPDEHRSA-N 282.295 3.582 30 20 CHED CCC[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)C(C)C 153125290 RAVLCQFZOBKGJL-KGLIPLIRSA-N 297.402 3.822 30 20 CHED N#CCC[C@H](NC(=O)c1ccnc(Cl)c1)c1ccccc1 153300691 OYHKJVPWSNRCPG-AWEZNQCLSA-N 299.761 3.510 30 20 CHED CC(C)CC[C@H]1CCCN1C(=O)c1cccc(C#N)c1 155534295 FZUXZUFEXSRVEG-MRXNPFEDSA-N 270.376 3.599 30 20 CHED CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(C#N)cc1 157169801 HWWOBEJKFSTKPL-KRWDZBQOSA-N 293.370 3.567 30 20 CHED CC[C@@H](CC#N)NC(=O)Nc1cccc(O[C@@H](C)CC)c1 155883125 SMAUUDRFDOUNGP-STQMWFEESA-N 289.379 3.678 30 20 CHED N#Cc1cccc(Br)c1NCCC(F)(F)F 1650794467 PJBUGWOCJZJDFJ-UHFFFAOYSA-N 293.086 3.685 30 20 CHED CCc1noc(C)c1CNc1ccc(Cl)c(C#N)c1 159355175 JJQNVCNQSIKUCY-UHFFFAOYSA-N 275.739 3.683 30 20 CHED Cc1cc(CN2CC[C@@H](CC(C)C)C2)ccc1C#N 1663953663 DWEMSWPVWYYSSN-INIZCTEOSA-N 256.393 3.735 30 20 CHED O=C1/C(=C\c2cccc3c2OCO3)CCc2ccccc21 19808781 YIDJKORJTQLLSW-RAXLEYEMSA-N 278.307 3.628 30 20 CHED COc1cc(CNc2cccc(CC#N)c2)ccc1C 1656261399 ALJJXLLFWXTYJO-UHFFFAOYSA-N 266.344 3.682 30 20 CHED Cc1cc(CNCC2CCCCCC2)ccc1C#N 1657370621 BPEJCPKMRVJJFU-UHFFFAOYSA-N 256.393 3.927 30 20 CHED CCCCCCCCCC(=O)N(C)Cc1cnc[nH]1 855134351 LJFOEBZEQFFVEY-UHFFFAOYSA-N 265.401 3.509 30 20 CHED Cc1ccc(S(=O)(=O)CCCCC(C)(C)C#N)cc1C 235793177 QLEKKMMGUTWDII-UHFFFAOYSA-N 293.432 3.797 30 20 CHED N#Cc1ccc(N[C@@H]2CCOC3(CCCC3)C2)c(F)c1 158869191 OVUARUHFEYICSR-CYBMUJFWSA-N 274.339 3.601 30 20 CHED N#Cc1c(F)cccc1NC[C@H]1CCC(F)(F)C1 310409654 XBXAXCKBVFBASV-VIFPVBQESA-N 254.255 3.545 30 20 CHED C=CCC(C)(C)CNCc1cnc2ccccc2c1 311718272 PAKREJVVRXTECZ-UHFFFAOYSA-N 254.377 3.927 30 20 CHED Cc1c(Cl)cc(NC(=O)C2(C#N)CCC2)cc1Cl 609856598 OBOIAOHHSYVLNO-UHFFFAOYSA-N 283.158 3.934 30 20 CHED N#Cc1cccc(/C(O)=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 329539250 CJHHGVZUPDINOL-OFQRWUPVSA-N 268.360 3.832 30 20 CHED C[C@H]1C[C@@H](C)CCN(Cc2ccc(CC#N)cc2)C1 543140242 QKCQDGFAGBSLEE-GJZGRUSLSA-N 256.393 3.621 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCO[C@@H](C)C1 657530487 PZISXYGRCPJGPQ-JONQDZQNSA-N 251.414 3.526 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1CC12CCOCC2 657979569 IXOKODLQRZTGAY-OWCLPIDISA-N 263.425 3.528 30 20 CHED COCc1csc(CNc2ccc(CC#N)cc2)c1 594920607 ANXSVLJBIKOARK-UHFFFAOYSA-N 272.373 3.573 30 20 CHED C=CCCSCCNCc1ccc(OC)c(Cl)c1 594960398 PTSMQXHYAWSAKB-UHFFFAOYSA-N 285.840 3.748 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(Cl)c(N)c(Cl)c1 385073290 WYUMJYAHQUYXBZ-UHFFFAOYSA-N 287.190 3.518 30 20 CHED C#Cc1ccc(CNC[C@@H](C)COCc2ccccc2)cc1 809608883 WZMROYWOVNYYKK-QGZVFWFLSA-N 293.410 3.610 30 20 CHED Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 6845822 LUEYNNFUMHJUPT-CYBMUJFWSA-N 296.395 3.986 30 20 CHED CCCCOc1ccccc1NC(=O)c1cccc(C#N)c1 56028350 MMDNGSGMBJQBDD-UHFFFAOYSA-N 294.354 3.989 30 20 CHED CC(C)=C[C@@H]1[C@H](C(=O)Nc2sccc2C#N)C1(C)C 57984517 RCJZCIJWJRHXSS-VXGBXAGGSA-N 274.389 3.797 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCC(C)(C)C1 358991152 XJHQGGSDSDXPGG-ZDUSSCGKSA-N 264.413 3.601 30 20 CHED Cc1cc(Cl)ccc1NC(=O)c1sccc1C#N 52027828 ZGTZFESVKKMPCD-UHFFFAOYSA-N 276.748 3.834 30 20 CHED Cc1cc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2C)c(C)o1 58451165 UOZYKJSZGMMWBR-GFCCVEGCSA-N 297.358 3.959 30 20 CHED CN(CCCC(C)(C)C#N)Cc1cnn(-c2ccccc2)c1 174812394 ATTJQZXVYXALPO-UHFFFAOYSA-N 296.418 3.634 30 20 CHED Cc1csc(CCCN[C@H](C)c2ccc(C#N)cc2)n1 174040048 LTUTWWUZBVGICH-CYBMUJFWSA-N 285.416 3.607 30 20 CHED N#Cc1ccsc1/C(O)=N/c1nc2c(s1)CCCC2 52028157 VPHIIWYULSJCHW-UHFFFAOYSA-N 289.385 3.591 30 20 CHED CCCCc1ccc(CC(=O)N(CC)C[C@@H](C)C#N)cc1 60020097 CXNZMODZCJVPGQ-HNNXBMFYSA-N 286.419 3.580 30 20 CHED CC(C)N(C(=O)/C=C/c1ccccc1C#N)C1CCCC1 57749381 HJOBIYUDCSPJTG-VAWYXSNFSA-N 282.387 3.751 30 20 CHED C[C@@H](CCc1cccc(F)c1)NCc1cccc(C#N)c1 172038512 VDKWUFRFVFHTDI-AWEZNQCLSA-N 282.362 3.808 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1cc2c(ccc3ccccc32)[nH]1 103443731 AIHVWSHEABJPJF-LBPRGKRZSA-N 291.354 3.695 30 20 CHED Cc1ccc(-c2ccc(C(=O)N(C)CC#N)c(F)c2)cc1C 107238445 DSOFPPXXULPGNV-UHFFFAOYSA-N 296.345 3.705 30 20 CHED COCc1cccc(/C=C/C(=O)c2ccc(O)c(F)c2)c1 172818527 ZNNGLWAAYUOBLT-FNORWQNLSA-N 286.302 3.574 30 20 CHED Cc1cnc([C@@H](C)CNc2c(F)cc(C#N)cc2F)s1 302117518 DJKJPZXVMSVSDT-QMMMGPOBSA-N 293.342 3.817 30 20 CHED Cc1ccc(/C=N/OCc2nc(C)c(C)s2)cc1 176113185 YTGWSSNKROBHTM-OVCLIPMQSA-N 260.362 3.619 30 20 CHED C=C(C)CNC(=O)Nc1ccc(Cl)c(Cl)c1 123215946 KAGCBXJEAKLCMT-UHFFFAOYSA-N 259.136 3.691 30 20 CHED Cc1ccsc1CNc1ccc(Cl)c(C#N)n1 67369759 IDZUFYCXSGETBU-UHFFFAOYSA-N 263.753 3.589 30 20 CHED C=CCCCCCN(C)C(=O)c1cccnc1NC(C)C 174310498 BCBILEAHIUFPNG-UHFFFAOYSA-N 289.423 3.720 30 20 CHED Cc1c(Nc2cccc(F)c2C#N)cnn1-c1ccccc1 301748309 SBJUPBKLOUUVNC-UHFFFAOYSA-N 292.317 3.935 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H](C)Oc2ccccc2)c1 302079137 BDXDRLUEJWIQHZ-ZDUSSCGKSA-N 294.354 3.640 30 20 CHED C[C@H](CC#N)OC(=O)c1ccccc1-c1ccccc1C#N 113692329 MYDITNPPKIIQSO-CYBMUJFWSA-N 290.322 3.684 30 20 CHED N#Cc1ccc(F)c(CN2CCSc3ccccc32)c1 25808074 BWFHJFJBVUBXFB-UHFFFAOYSA-N 284.359 3.810 30 20 CHED C#Cc1cccc(NC(=O)N(CC)Cc2cccs2)c1 78256686 UBTFQPYOCCABRG-UHFFFAOYSA-N 284.384 3.783 30 20 CHED COc1cc(C#N)cc(Cl)c1OCc1csc(C)n1 68321954 DBJHHTHPZIZNGY-UHFFFAOYSA-N 294.763 3.564 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)COc2ccccc2)cc1 25438188 QBRVJDZDHUTINE-UHFFFAOYSA-N 294.354 3.505 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1C[C@H]2CC[C@H]1C2 301388778 YVGZGCNNAFKBSD-GWCFXTLKSA-N 283.762 3.749 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H](C)C1 303838473 HYSTWPKWTAQRTD-HOCLYGCPSA-N 287.378 3.614 30 20 CHED C=CCCC(=O)N[C@@H]1CCc2c(Br)cccc21 68031244 OJTGZFKEERUEEC-CYBMUJFWSA-N 294.192 3.519 30 20 CHED C=CCCCC(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 175719974 DYOJWFKHVUMGMA-LRDDRELGSA-N 295.810 3.889 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1c1ccc(C#N)cc1 301583096 QINCFXRCFZOQDK-RDTXWAMCSA-N 262.356 3.941 30 20 CHED Cc1cc(CNc2cc(F)ccc2F)ccc1C#N 443981775 BNZZVXVREHEIIR-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)c1cc2sccc2[nH]1 188930459 XLSIRJLPTFTOQT-UHFFFAOYSA-N 289.404 3.631 30 20 CHED CC[C@H]1[C@H](C)CCN1C(=O)Nc1cccc(C#N)c1C 187617441 XUZBJLREOPMGGF-ABAIWWIYSA-N 271.364 3.519 30 20 CHED C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(F)c1F 185869710 UVRWYOKYAXENCF-GRYCIOLGSA-N 264.319 3.698 30 20 CHED COc1cccc(Sc2c(C#N)nnc3ccccc23)c1 77188646 OGZWNTWSCKSUKK-UHFFFAOYSA-N 293.351 3.661 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCCCC1(F)F 448918858 WBAOVUFDPGPFMJ-GFCCVEGCSA-N 286.366 3.600 30 20 CHED CCO[C@H](CCN[C@@H](C)c1cccc(C#N)c1)C(C)C 181846401 DIUKSULDHANVJY-WMLDXEAASA-N 274.408 3.660 30 20 CHED C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)Oc1ccccc1 181965517 GEFIIWAOKPOCME-GJZGRUSLSA-N 280.371 3.676 30 20 CHED Cc1ccc([C@@H]2OCCC[C@@H]2Nc2ncccc2C#N)cc1 74778330 YRPJXAQCBZSIIG-IRXDYDNUSA-N 293.370 3.594 30 20 CHED COc1cccc(/C=N/[C@@H](C)Cc2ccsc2)c1O 124767619 KOMVCKPHYHXPIT-UJFYRASASA-N 275.373 3.512 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2cccc(OCC(F)F)c2)C1 185822940 KXKRLNWKPVUCPV-GXTWGEPZSA-N 294.345 3.502 30 20 CHED C=CCC(CC=C)C(=O)NCCC1Cc2ccccc2C1 122493161 OZVHJHMPJHIVOF-UHFFFAOYSA-N 283.415 3.676 30 20 CHED Cc1cc2cc(C(=O)O[C@@H](C#N)C3CC3)oc2cc1C 124547835 ABTLAFBLNGTIBU-HNNXBMFYSA-N 269.300 3.509 30 20 CHED C[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1cccc(C#N)c1 75269339 CMZUZSSWSRLSRN-UONOGXRCSA-N 284.403 3.952 30 20 CHED CCN(CC#N)[C@@H](C)c1cc(Cl)ccc1Cl 411213741 NPPYLVZKCSFVPD-VIFPVBQESA-N 257.164 3.900 30 20 CHED Cc1cccc([C@@H](O)C/N=C/c2cc(Cl)ccc2O)c1 128462297 YLTNUESTKJUHMG-ZJTXRKTBSA-N 289.762 3.507 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@@H](C)CC(F)(F)F)c1 413540048 UOXMDMCMFOTCFA-VIFPVBQESA-N 284.281 3.761 30 20 CHED CC(C)[C@H](C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 505912690 NKSIBVICQJKLQD-GXFFZTMASA-N 298.308 3.678 30 20 CHED C=CCCC1(C(=O)NC2CC(c3ccccc3)C2)CC1 500940032 CYHYEHBHAGNHRH-UHFFFAOYSA-N 269.388 3.795 30 20 CHED N#Cc1ccc(OCCCOCCc2ccccc2)cc1 37138826 VOHXGAKKTJRVLH-UHFFFAOYSA-N 281.355 3.586 30 20 CHED CCC[C@@H](C#N)N(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 410830968 XKQQAIFRAPHXBH-KKUMJFAQSA-N 264.413 3.599 30 20 CHED CCOc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OC 35131128 BFMOQKHOTOSHFZ-GDNBJRDFSA-N 294.350 3.916 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 503327698 DUMBDHYPOACFCE-OLZOCXBDSA-N 288.391 3.966 30 20 CHED C[C@H]1CC(NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)C1 181040524 BPOGYQVWJKHRGA-ZIAGYGMSSA-N 296.414 3.796 30 20 CHED CC(C)Cc1c[nH]c(C(=O)Nc2ccc(CC#N)cc2)c1 411266216 JSYCUFJDNBYQLP-UHFFFAOYSA-N 281.359 3.532 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCOC2(CCCC2)C1 181406084 RYTQLVGJCOMOKL-GJZGRUSLSA-N 294.439 3.522 30 20 CHED C[C@H](NC[C@H](C#N)CCC#N)c1nc(C(C)(C)C)cs1 184454758 QRAAMKGZNAETRW-RYUDHWBXSA-N 290.436 3.535 30 20 CHED C#CCCCCC(=O)O[C@@H](C)c1nc2ccccc2o1 120588078 LOGCRGUUYKTESD-LBPRGKRZSA-N 271.316 3.626 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(F)nc2)c(C)c1 186387862 DXEZXFMEAWWFNT-QPJJXVBHSA-N 255.292 3.734 30 20 CHED CCN(C(=O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 416023287 CVFLNHFXFAYAKU-UHFFFAOYSA-N 298.308 3.998 30 20 CHED CC(C)(CC#N)CN=c1[nH]c(-c2ccccc2)cs1 413415262 WJJRLJPKXLPLKV-UHFFFAOYSA-N 271.389 3.584 30 20 CHED CC(C)(CC#N)CN=c1c(C#N)c[nH]c2ccc(Cl)cc12 413406300 KGUALAMIVSWCFU-UHFFFAOYSA-N 298.777 3.534 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)c1cccc(Cl)c1 410146008 RKOOATQIZALCQQ-RISCZKNCSA-N 265.784 3.914 30 20 CHED C=C[C@H](CC)OC(=O)Cc1c[nH]c2cc(C)ccc12 181206573 PMDVXVJJLJQZNX-CYBMUJFWSA-N 257.333 3.527 30 20 CHED C=CCOc1cccc(CN(C)[C@@H](C)c2ccccn2)c1 182064426 ANNSVGDKPDUEOK-HNNXBMFYSA-N 282.387 3.839 30 20 CHED C=CC[C@@H](C)NC(=O)N(CCC)CCc1cccs1 184118033 QJKUZNJQHWOMJT-CYBMUJFWSA-N 280.437 3.677 30 20 CHED CC(C)N(CCC#N)C(=O)c1ccc(Cl)cc1Cl 44414992 GWLUBRPWLVDNQK-UHFFFAOYSA-N 285.174 3.758 30 20 CHED C[C@H](Nc1cccc(F)c1C#N)c1nc2c(s1)CCC2 413391174 FTLAHXSPUSPQGU-VIFPVBQESA-N 287.363 3.816 30 20 CHED CC(C)(C)c1ccc(C#N)c(NCC2CCSCC2)n1 613423507 GQMLXVZTBOBBKK-UHFFFAOYSA-N 289.448 3.806 30 20 CHED CCC[C@H](C#N)N(C)C(=O)[C@@H](C)c1ccc(CC)cc1 410827608 LMQQJVNFPFNIAH-XJKSGUPXSA-N 272.392 3.503 30 20 CHED C=CCCC(=O)Nc1cc(F)ccc1OCC1CC1 192178235 FGYOOFBHDAHPNW-UHFFFAOYSA-N 263.312 3.519 30 20 CHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(NC(C)=O)c1 429889691 NZMVOIDECTZUNV-UHFFFAOYSA-N 294.782 3.839 30 20 CHED CC(C)CCN(CCC#N)C(=O)c1cccc(F)c1Cl 80027583 DZTVNGGYBKHCKV-UHFFFAOYSA-N 296.773 3.881 30 20 CHED C=CCn1c(C2CCCC2)nnc1N(C)C[C@H](C)CC 516879397 HXIOXLTUAQHKLC-CYBMUJFWSA-N 276.428 3.604 30 20 CHED COc1ccc(CN[C@H](C)[C@@H](C)c2ccccc2)cc1C#N 80248216 RNDNRVVQMPYBSR-HUUCEWRRSA-N 294.398 3.849 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1O 131177979 RAFYOJPORUMZSY-UHFFFAOYSA-N 286.762 3.549 30 20 CHED CC1(C)[C@H](c2ccccc2)CCN1CC1(C#N)CCC1 421012440 IHNIUXJZDSZATN-INIZCTEOSA-N 268.404 3.948 30 20 CHED C[C@@H]1C[C@@H](C(O)=Nc2c[nH]nc2-c2ccccc2)CCC1=O 328928942 GWCDWRDAGWGQHW-YPMHNXCESA-N 297.358 3.670 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C=C(C)C)cc1 131484091 OBKIVNYRTITKSF-CJNGLKHVSA-N 298.386 3.814 30 20 CHED C=C[C@H](CC(=O)N[C@H](CCCC)COC)c1ccccc1 135222939 OXCUFSCLBMBEGM-NVXWUHKLSA-N 289.419 3.668 30 20 CHED Cc1cccc(CCNC(=O)Nc2cc(C#N)ccc2C)c1 195045971 WSSXJVNUBSIESS-UHFFFAOYSA-N 293.370 3.539 30 20 CHED C[C@@]1(/N=C(/O)CCc2ccnc3ccccc23)CCCOC1 329152623 TVWVSNGQQYQKQQ-GOSISDBHSA-N 298.386 3.693 30 20 CHED Cc1ccc(S(=O)(=O)/N=C(\O)CCC2CCCC2)cc1 46927387 ZTVZRSMYDSXCIQ-UHFFFAOYSA-N 295.404 3.611 30 20 CHED O=C(/C=C/c1nc(-c2ccccc2)c[nH]1)c1ccco1 193142663 BUVMQBUKSJSNPC-CMDGGOBGSA-N 264.284 3.566 30 20 CHED Cc1ncsc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 193351108 HXFOEUMPPNMWCP-UHFFFAOYSA-N 285.372 3.505 30 20 CHED CC(C)c1ccoc1/C(O)=N/C1CCC(C(=N)O)CC1 330467185 IVACYYFQAFLXEK-UHFFFAOYSA-N 278.352 3.802 30 20 CHED C=CCCCCCn1cc(C(F)(F)F)ccc1=O 195387980 ZNGULUODTIDNBH-UHFFFAOYSA-N 259.271 3.614 30 20 CHED N#Cc1ccc(CNCCc2nc3ccccc3s2)s1 337619278 DVYRAXGJZJKGRN-UHFFFAOYSA-N 299.424 3.562 30 20 CHED CC(C)[C@H](NCc1ccc(C#N)s1)c1cccnc1 421878262 LVSXEYCNEDNIAY-HNNXBMFYSA-N 271.389 3.502 30 20 CHED CCC1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1 333156858 HPYDAODPISIBRE-MQBCKMQZSA-N 274.408 3.545 30 20 CHED C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CCC1 334773948 ZIUNTRQMTRPNQL-AWEZNQCLSA-N 294.398 3.610 30 20 CHED C=C(C)CN(C)C[C@H](OC)c1ccc(Cl)cc1 514233073 UXURYTPLFXDLIX-AWEZNQCLSA-N 253.773 3.535 30 20 CHED CC[C@H](SC)C(=O)Nc1cc(C(C)(C)C)sc1C#N 91209088 UXNNDOSJFPSDHW-JTQLQIEISA-N 296.461 3.997 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cc(C#N)c2ccccc2n1 514631610 UZYHARHUUWPSNI-QGZVFWFLSA-N 279.343 3.647 30 20 CHED C=CCCOCCN[C@H](C)c1ccc(F)cc1Cl 90883785 ZKDQTGFJBBDDST-LLVKDONJSA-N 271.763 3.722 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC(C2CCCC2)C1 336138993 QRVLALDYXSNOPX-UHFFFAOYSA-N 283.375 3.521 30 20 CHED CCC(CC)[C@@H]1C[C@@H](N/C(O)=N/CC2CCCC2)CCO1 330739960 OUVJJWDGRXPXTE-HOTGVXAUSA-N 296.455 3.664 30 20 CHED CCc1nnc(C)cc1/C(O)=N/[C@@H](C)CCC(C)(C)C 330826391 RTNMCUFSBPYVCR-NSHDSACASA-N 277.412 3.867 30 20 CHED C=CCCOCCCCC(=O)N(C)Cc1sccc1C 338742778 FYXWLTKDHZZRFE-UHFFFAOYSA-N 295.448 3.778 30 20 CHED Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(C#N)[nH]1 337428230 UBERANIGKAPEKR-KRWDZBQOSA-N 295.386 3.712 30 20 CHED CC(C)(CCC#N)CNc1ccccc1O[C@H]1CCOC1 92137349 XEKGCUQUBIBBCQ-AWEZNQCLSA-N 288.391 3.596 30 20 CHED C[C@@H](CNc1cccc(C#N)c1)c1ccc(F)cc1 437595108 XODJARUZOQHAQE-LBPRGKRZSA-N 254.308 3.913 30 20 CHED C=CCC[C@H](NCc1ccc(OCC2CC2)nc1)C1CC1 438986368 QDQPQJHALHFSFM-KRWDZBQOSA-N 286.419 3.705 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)Cc1ccccc1F 432072443 RYRTUBUBXQLFCZ-ZDUSSCGKSA-N 292.398 3.658 30 20 CHED C[C@H]1C[C@H](c2cccc(F)c2)N(CC2(C#N)CC2)C1 343312416 BKGCHBGDHJKDNY-SWLSCSKDSA-N 258.340 3.512 30 20 CHED Cc1cc(C)c([C@@H](C)NCC2(CC#N)CC2)cc1C 430758040 YMCXGZOHDATFEL-OAHLLOKOSA-N 256.393 3.956 30 20 CHED C[C@H](NC[C@H](C)CCC#N)c1cccc(N2CCCC2)c1 602573697 LCWCMTPWSTVUJD-CVEARBPZSA-N 285.435 3.877 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccn(C(C)C)c1C 345475756 BTZXOVUMEAOTFD-ZDUSSCGKSA-N 262.397 3.852 30 20 CHED COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 254745247 DKTHZRUFMGZRKA-UHFFFAOYSA-N 295.264 3.555 30 20 CHED CCCc1nc(CNc2ccc(C#N)cc2OC)cs1 545293824 IDLPHPNCYUMQNV-UHFFFAOYSA-N 287.388 3.588 30 20 CHED C[C@H](CCC#N)CN(CCc1cccc(F)c1)C1CC1 602469158 ATVKEVCXWNYNNS-CQSZACIVSA-N 274.383 3.772 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)C(C)(C)c1ccccc1 602534343 SZCAPEKSTJISSG-LSDHHAIUSA-N 258.409 3.882 30 20 CHED C=CCC[C@@H](C)Nc1ccc(C(=O)NCC(C)C)cc1 437144044 SVQRTNBRULIKKY-CQSZACIVSA-N 274.408 3.839 30 20 CHED Cc1ncc(CNc2ccccc2SC[C@@H](C)C#N)cn1 349786404 BVZLJCUVKUGWDT-LBPRGKRZSA-N 298.415 3.649 30 20 CHED Cc1ccc2oc(SCc3ccc(C#N)cc3)nc2n1 342431665 GFLBMADYEOASCO-UHFFFAOYSA-N 281.340 3.695 30 20 CHED Cc1nc([C@H](C)Sc2ccc(Cl)cc2C#N)no1 601912385 KRZTXPMGCAGPAY-ZETCQYMHSA-N 279.752 3.756 30 20 CHED C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@@H]1C1CCCCC1 602589378 REURKWGMHWHDNI-DJIMGWMZSA-N 290.451 3.644 30 20 CHED Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 442837869 KGLFPMBKISBTBG-VXIBKDFQSA-N 298.430 3.967 30 20 CHED Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C[C@@H](C)CCC#N 602669401 WKEXNHUJFIZNCV-BBRMVZONSA-N 288.439 3.884 30 20 CHED CC[C@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1 352982976 HOGQPFJKPQVABC-LBPRGKRZSA-N 290.794 3.864 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCCc2cccc(CC)c21 605464769 FHENRXNPKFYVBA-CQSZACIVSA-N 287.403 3.509 30 20 CHED C=CCC[C@H](N[C@H](COC)C(C)C)c1ccccc1 358343307 SKOAWWOYTSUABL-DLBZAZTESA-N 261.409 3.955 30 20 CHED N#Cc1ccc(CNc2cnc3ccccc3c2)c(F)c1 353196101 WJVRIUJUBWVYCD-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CC[C@@H](NCc1cccc(OCCCC#N)c1)C(F)F 449360011 INJWMQHAPRIXPZ-CQSZACIVSA-N 282.334 3.502 30 20 CHED CCC1(CC)[C@@H](OC)C[C@H]1N(C)Cc1ccc(C#N)s1 538797739 WUXIJYHKASKFKD-CABCVRRESA-N 292.448 3.645 30 20 CHED CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1Cl 448985779 YYMZDPKJXCXLGE-TYNCELHUSA-N 290.794 3.847 30 20 CHED C=CC[C@H](C(=O)N1CCC(SC)CC1)c1ccccc1 601691557 MUXWMSIZHSEVKT-INIZCTEOSA-N 289.444 3.700 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 448847199 VZCZZUZSLJEJBL-UHFFFAOYSA-N 283.375 3.981 30 20 CHED C=CC[C@@H](C)NC(=O)NC1CCC(CCC)CC1 604915943 HBKNFYWVSNOJND-IYXRBSQSSA-N 252.402 3.609 30 20 CHED CC[C@@H](C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 356990618 WXKIKXOZEVJCJP-GFCCVEGCSA-N 295.342 3.730 30 20 CHED Cc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)ccc1Cl 531581459 ORXCCEAIDZLJAK-BDJLRTHQSA-N 290.794 3.851 30 20 CHED C=CCCC1(C(=O)N2CC[C@H](CC(F)(F)F)C2)CC1 357119349 FWWMBYFOEDXXFA-LLVKDONJSA-N 275.314 3.534 30 20 CHED Cc1c(-c2noc(C(C)(C)C#N)n2)oc2ccccc12 445507598 VZAJTEBYBXMXFF-UHFFFAOYSA-N 267.288 3.592 30 20 CHED Cc1ccoc1C/N=C(\N)Nc1cccc(C(C)C)c1 262724821 YJFZDXZFOYJZKK-UHFFFAOYSA-N 271.364 3.638 30 20 CHED N#CCCCSc1nnc(-c2ccccc2Cl)o1 264502952 RLNSWLGWRXMDOY-UHFFFAOYSA-N 279.752 3.786 30 20 CHED C=C(CC)CNCc1cccc(Br)c1OC 449733420 HWKHKJCVKJBROO-UHFFFAOYSA-N 284.197 3.514 30 20 CHED CC[C@H](CC#N)NC(=O)[C@@H](C)c1ccccc1C(F)(F)F 613038658 HZJIFMWYOIYXPC-WDEREUQCSA-N 298.308 3.617 30 20 CHED CC[C@H](NCCN(C(C)C)C(C)C)c1ccc(C#N)cc1 447507877 IZYUBAXEDYITRA-SFHVURJKSA-N 287.451 3.718 30 20 CHED COC[C@H](C#N)Nc1ccc(Oc2ccccc2)cc1C 611996620 GOITVSVMPLCNSR-AWEZNQCLSA-N 282.343 3.738 30 20 CHED CC(C)=C[C@@H]1[C@@H](C(=O)N(C)c2ccccc2C#N)C1(C)C 610795832 OOGMNFRQPFFOLZ-ZBFHGGJFSA-N 282.387 3.759 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)Cc1nccs1 350665719 YWIFULSHNAGAIV-UHFFFAOYSA-N 285.416 3.673 30 20 CHED COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCCC#N 352250296 GAOQRAMZGDCCNR-ZBFHGGJFSA-N 272.392 3.772 30 20 CHED CN(Cc1ccc(Cl)cc1Cl)c1ccc(C#N)nc1 610541589 UZMZMNSKSZUUER-UHFFFAOYSA-N 292.169 3.896 30 20 CHED Cc1cccc(C2(C(=O)N[C@@H]3CCC[C@H]3C#N)CCCC2)c1 610498039 FZVRMCQPXQTFLW-DOTOQJQBSA-N 296.414 3.615 30 20 CHED C[C@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccncc1 611142014 KXWPMAJJMFCWRV-KDOFPFPSSA-N 299.418 3.554 30 20 CHED C=CCC(CC=C)C(=O)N1CC[C@@H]1c1ccc(F)cc1 618047288 OTBJHZMZVMVVHA-MRXNPFEDSA-N 273.351 3.868 30 20 CHED C=CCCOCCCCC(=O)N(C)[C@H]1CCCC[C@H]1C 538265012 NSDHAKHUUJXTCH-CVEARBPZSA-N 281.440 3.787 30 20 CHED CC[C@H](N[C@H](C)[C@H]1CCCCO1)c1ccc(C#N)cc1 447590469 CSWQTDGWNRCLMT-XOKHGSTOSA-N 272.392 3.557 30 20 CHED C=CCCN(CCc1ccc(C)cc1)CC(F)(F)F 441373085 RQKHVGSZBBSALJ-UHFFFAOYSA-N 271.326 3.978 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(C)cc(F)cc1C 615287211 XITYCSJZXPJXRW-UHFFFAOYSA-N 263.356 3.775 30 20 CHED N#Cc1ccc(SCc2ccn(C3CCCC3)n2)nc1 268585907 LVUBOZGWKKVTKK-UHFFFAOYSA-N 284.388 3.557 30 20 CHED C=C(C)[C@H](CC(=O)N(CCCCC)C(C)C)OCC 533677283 XAYBKQNVGOGEIM-HNNXBMFYSA-N 269.429 3.785 30 20 CHED N#Cc1ccc(CNc2ccsc2[N+](=O)[O-])cc1Cl 619746538 CMNUPTOPFSTFKI-UHFFFAOYSA-N 293.735 3.793 30 20 CHED CC(C)(CCC#N)CNC(=O)CCCC1CCCC1 359756718 KDOMXZGTLHULLH-UHFFFAOYSA-N 264.413 3.793 30 20 CHED Cn1ccc(C(=O)CSc2ccc(C#N)cc2Cl)c1 532856066 BRPNPBYVFOUQIS-UHFFFAOYSA-N 290.775 3.525 30 20 CHED CC#CCN(C)C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 458728842 FENVSHPOFJJQBH-IAGOWNOFSA-N 284.403 3.536 30 20 CHED Cc1nccn1-c1ccc([C@H](C)NCC(C)(C)CC#N)cc1 459727205 FXPLLMZAVVSNFG-AWEZNQCLSA-N 296.418 3.771 30 20 CHED CCC[C@H](CC1CCCC1)C(=O)NCC(C)(C)C#N 611696785 JEFGJSAFBQNLBT-CQSZACIVSA-N 264.413 3.649 30 20 CHED COC(C)(C)C[C@H](C)Nc1nc(C(C)(C)C)ccc1C#N 613425994 NXALGHHXKBYQJU-LBPRGKRZSA-N 289.423 3.866 30 20 CHED N#Cc1cccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 365525304 HFSJNOUDMXYGSF-INIZCTEOSA-N 296.757 3.799 30 20 CHED N#Cc1ccc(CNC(=O)C2=CCCCCC2)cc1Cl 619764463 VOKFOKWPLMMHSG-UHFFFAOYSA-N 288.778 3.718 30 20 CHED Cc1cc(C)c([C@@H](C)N2CCC(C#N)CC2)c(C)c1 532938988 KGCPTNNBEAWNBM-OAHLLOKOSA-N 256.393 3.908 30 20 CHED C=C(CC)CNC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 456815698 YZDSTFRIWMPEEK-LBPRGKRZSA-N 293.794 3.631 30 20 CHED C#CC[C@@H](N[C@H](C)c1cnc(C)nc1C)c1ccccc1 271468211 IDEKXIOLGABPPI-RDTXWAMCSA-N 279.387 3.509 30 20 CHED N#CCCCNC(=O)N[C@H](c1ccccc1)C1CCCC1 273540087 LGTGPFGEVIOQQU-MRXNPFEDSA-N 285.391 3.521 30 20 CHED C=C(C)[C@H](NC(=O)N1CC[C@@H](C)C1)c1ccc(F)c(F)c1 275137770 PKUYXQFYTNEGOR-ABAIWWIYSA-N 294.345 3.633 30 20 CHED C#CCC1(C(=O)Nc2cccc(NC(C)=O)c2)CCCCC1 276365026 ZLCXCPRYSSGSMH-UHFFFAOYSA-N 298.386 3.557 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C 455326641 ORILFZDDUUXMMJ-DOTOQJQBSA-N 286.419 3.930 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cnn(-c2ccccc2)c1C(C)C 362998908 ZOAZALFMYUKKMN-CYBMUJFWSA-N 298.390 3.692 30 20 CHED N#Cc1cccc(N2CCC[C@H](c3ccc(F)cc3)CC2)n1 540872530 YFCVWDNVQUNVJW-AWEZNQCLSA-N 295.361 3.866 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)c1cccc(F)c1 452771669 AOGIGNQBERPQEB-LBPRGKRZSA-N 263.356 3.648 30 20 CHED CC(C)c1ccc(C(=O)N2CCc3ccc(C#N)cc32)cc1 270297313 WMWYFDXPIYNOHS-UHFFFAOYSA-N 290.366 3.885 30 20 CHED N#CCCCC(=O)N[C@H](Cc1ccccc1)c1cccs1 360247109 ZARUVRHZGKNAFD-OAHLLOKOSA-N 298.411 3.842 30 20 CHED C=C(C)CN(C)C(=O)c1ccc(OC(CC)CC)cc1 450465914 HCNTYFLCHRBGMY-UHFFFAOYSA-N 275.392 3.902 30 20 CHED C[C@H](NCC#Cc1ccc(F)cc1)[C@@H](C)c1ccccc1 542542979 BUDQHBRGPDTHBD-CVEARBPZSA-N 281.374 3.959 30 20 CHED C[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 540604875 BBIIOWWGLGMDAO-QWHCGFSZSA-N 295.342 3.878 30 20 CHED CC(C)(CNC(=O)c1cccc(F)c1C#N)C1=CCCC1 457177410 ICKZHDQOYAUWRB-UHFFFAOYSA-N 286.350 3.564 30 20 CHED CCO[C@@H]1CCCC[C@H]1N[C@H](CC)c1ccc(C#N)cc1 453414637 SYKSSGSLMDWRFJ-KZNAEPCWSA-N 286.419 3.947 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)cc1 547060993 XYMXTWAKNLAXGN-UHFFFAOYSA-N 286.294 3.757 30 20 CHED C=CCN(C(=O)[C@@H]1CCc2cc(F)ccc21)C(C)(C)C 622945586 JPRKBTKVYPNHNE-OAHLLOKOSA-N 275.367 3.669 30 20 CHED CCCCCCCCOCC(=O)N(C)c1ncccc1C 279520240 QYEJZQCFPSBGFD-UHFFFAOYSA-N 292.423 3.730 30 20 CHED C=CCN(C(=O)c1scnc1C1CCCC1)C1CC1 273785698 BDFKHJSKKIPVQD-UHFFFAOYSA-N 276.405 3.591 30 20 CHED CS[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C 544062844 LXEJQGPVIBOIOL-ZDUSSCGKSA-N 293.392 3.656 30 20 CHED C[C@@H](CC(=O)Nc1ccccc1CC#N)c1ccccc1 549715877 FTDQIOQAUQNJSD-AWEZNQCLSA-N 278.355 3.885 30 20 CHED C=CCN(C(=O)Cc1cccc(C(F)F)c1)C(C)(C)C 622944776 FHHKFVVCHDISEH-UHFFFAOYSA-N 281.346 3.980 30 20 CHED CCC1(CC)CN(Cc2cc(C#N)cs2)CCS1 468540842 IVLDPUJDYDHKLJ-UHFFFAOYSA-N 280.462 3.727 30 20 CHED C=CCSc1ccccc1C(=O)NCC1=CCCC1 620007811 APIOKUCRPLFNFM-UHFFFAOYSA-N 273.401 3.805 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cn1 466867347 XCQRTIFAHXFRIY-QMMMGPOBSA-N 273.163 3.929 30 20 CHED CCOCc1cccc(NCc2ccc(C#N)c(OC)c2)c1 281574136 CUTJRPORBJUUKY-UHFFFAOYSA-N 296.370 3.715 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1cccc(C(C)C)c1 280578619 MLMVOIOKTROEHM-UHFFFAOYSA-N 268.316 3.835 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C)CC1(c2ccccc2)CC1 466324372 FNUUCRFGFSNHDC-MRXNPFEDSA-N 286.419 3.714 30 20 CHED C=C(C)C[C@H](C)C(=O)N1Cc2cccc(Cl)c2C1 286686647 IELYVPNZSPSNNP-NSHDSACASA-N 263.768 3.785 30 20 CHED C=CCOCCN[C@@H](c1ccc(F)cc1F)C(C)(C)C 559147295 QOPLWQCFSCCOKA-HNNXBMFYSA-N 283.362 3.844 30 20 CHED N#C[C@H]1CCC[C@H](NCc2c(F)cccc2Cl)C1 463285713 TWTUKLDTXIUCMC-QWRGUYRKSA-N 266.747 3.651 30 20 CHED C=CCC[C@H](NC[C@H](CCC)CCO)c1ccco1 286209850 RZDPSFSBJHGLAZ-CABCVRRESA-N 265.397 3.675 30 20 CHED CC(C)CO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C 557807225 DXVPVZVCXMDCHV-HUUCEWRRSA-N 292.448 3.549 30 20 CHED CCOC1CC(CSCc2cccc(C#N)c2)C1 285120786 PJGWATUTCMVTIZ-UHFFFAOYSA-N 261.390 3.607 30 20 CHED C[C@@H]1CCCN1c1c(C#N)cnc2c(F)c(F)c(F)cc12 288175120 BEROOTAFWKICBC-MRVPVSSYSA-N 291.276 3.512 30 20 CHED Cc1csc([C@H](Nc2ccc(C#N)c(C)n2)C2CC2)n1 292009477 RYVZFNGNTBTBLQ-CQSZACIVSA-N 284.388 3.590 30 20 CHED C#C[C@H](NC(=O)N1CCC(c2ccccc2)CC1)C(C)(C)C 808314734 YXZCYXXVHQPQLV-KRWDZBQOSA-N 298.430 3.624 30 20 CHED Cc1cc(CN2CCC(CCC#N)CC2)ccc1F 566915340 UPYOEBWBYVJJNE-UHFFFAOYSA-N 260.356 3.650 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)/C=C(/C)C(C)(C)C)cc1 809259458 SPFLTYNUOJHCRC-DVFVSVACSA-N 284.403 3.922 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(C(C)(C)C)ccc1OC 806128604 NATFKVAJDSAARU-CYBMUJFWSA-N 288.391 3.526 30 20 CHED C#C[C@@H](N[C@@H](C)COC(C)C)c1ccc(Cl)cc1F 809698799 GETWSLIFUPEZDZ-XHDPSFHLSA-N 283.774 3.557 30 20 CHED C=CCC(C)(C)CNC(=O)N1CC[C@@H]2CCCC[C@@H]21 567496273 UKZGTIDJLRVKDG-KBPBESRZSA-N 264.413 3.563 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CCCCC#N 296584672 FCLKGMWOFDWFNR-BFYDXBDKSA-N 256.393 3.947 30 20 CHED N#Cc1c(N[C@H]2CC[C@@H](F)C2)cccc1C(F)F 567915475 TWMYLHDTMWBNND-BDAKNGLRSA-N 254.255 3.798 30 20 CHED C=CCC(C)(C)C(=O)NCCc1nc(C(C)(C)C)cs1 292785971 MHYPAJPPHKOXGI-UHFFFAOYSA-N 294.464 3.702 30 20 CHED C=CCC[C@@H](NCC(C)(C)COCC)c1ccco1 564152560 OSVXQURYHQTCNS-CQSZACIVSA-N 265.397 3.939 30 20 CHED C=CCCCCNC(=O)N[C@H](C)CCc1ccccc1 472864931 SYKPUVSVPQMABX-OAHLLOKOSA-N 274.408 3.663 30 20 CHED C[C@H](C#N)OCCS[C@H](C)CCc1ccccc1 802749921 RPDNWPMHLLMSNC-ZIAGYGMSSA-N 263.406 3.670 30 20 CHED CC[C@H](Cc1cccc(-c2ccsc2C#N)c1)C(=O)O 565235642 HTGJHIIFHHQLRT-GFCCVEGCSA-N 285.368 3.940 30 20 CHED C=CC[C@@H](C)NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 801903739 YUMNDMQBDFHIBC-BXKDBHETSA-N 289.272 3.797 30 20 CHED C#Cc1ccc(CN[C@H](C)c2csc(CC)n2)cc1 290214818 FDARLCSEIMSRMK-GFCCVEGCSA-N 270.401 3.538 30 20 CHED CCc1nocc1CSCc1cc(F)ccc1C#N 563821315 QWHYETLBVAOYLE-UHFFFAOYSA-N 276.336 3.681 30 20 CHED CC#CCCCC(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 569521342 NMCLSSWSGPCWMX-LJQANCHMSA-N 297.442 3.970 30 20 CHED C=CCn1cccc1C(=O)N[C@@H](C)c1ccc(Cl)s1 488400771 VZOZICJKHCVADL-JTQLQIEISA-N 294.807 3.880 30 20 CHED C=C[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1O 816594066 OEPNYLZDLWQEGQ-LLVKDONJSA-N 269.747 3.725 30 20 CHED COc1cc(C)c(C(C)=NOC/C=C\Cl)cc1OC 811671809 XLQFAILVBNDVNU-HSTLZJKPSA-N 283.755 3.505 30 20 CHED C[C@H](Nc1cc(C#N)ncn1)C1(c2ccccc2)CCCC1 576857611 OODYVPKJWRGZIQ-AWEZNQCLSA-N 292.386 3.661 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCCc1ccc(C)nc1 657882440 ZMKDGKKXBAKCEO-SJORKVTESA-N 258.409 3.657 30 20 CHED CCc1ccc(C#CC(=O)Nc2cc(F)ccc2C)cc1 814360176 GNEHMBHHZSQYFF-UHFFFAOYSA-N 281.330 3.687 30 20 CHED C(=NNC[C@H]1CCSC1)c1csc2ccccc12 811661497 LYLBBHHSRBFWKN-LLVKDONJSA-N 276.430 3.578 30 20 CHED Cc1[nH]c(=NCc2cccc(C#N)c2)ccc1-c1ccccc1 572891807 UPHYMGKPQMCFGA-UHFFFAOYSA-N 299.377 3.963 30 20 CHED C=C(C)[C@H](NCCOCCCC)c1ccc(F)c(F)c1 481596254 IRNFCHUGWPVZLR-INIZCTEOSA-N 283.362 3.988 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)CCCC#N 812481714 OIBXJJXWFFNQCB-KBPBESRZSA-N 264.413 3.649 30 20 CHED Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C2CCCC2)C1 572711481 IASSCGALEWFVJE-MRXNPFEDSA-N 297.402 3.911 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1 570707918 UCFFVDZILVUFGB-CYZMBNFOSA-N 288.778 3.781 30 20 CHED CCc1cnccc1[C@@H](C)NCc1ccc(C#N)c(C)c1 488303470 UVYYSIHVZRSIBX-CQSZACIVSA-N 279.387 3.675 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H]1[C@@H](C)CCC 489037901 HHAUJNDASJZLSG-LSDHHAIUSA-N 274.408 3.715 30 20 CHED C#Cc1ccc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)nc1 728810588 KLODOVDRBHOEQT-UHFFFAOYSA-N 298.430 3.740 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)CCC1 571332739 YYBDSABFUGDGFA-HOCLYGCPSA-N 269.388 3.952 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)C1CC2(CCC2)C1 579475720 GWWUHLXBTOKOAM-UHFFFAOYSA-N 285.391 3.634 30 20 CHED N#CCCC[C@H](N)c1nc(-c2ccc3sccc3c2)no1 822808795 YTXKGAXFCFQZEC-LBPRGKRZSA-N 298.371 3.645 30 20 CHED CC#CCCCC(=O)Nc1cccc(O[C@H](C)CC)c1 497659573 JWVHUPQBGXVQLK-CQSZACIVSA-N 273.376 3.996 30 20 CHED C=C(C)Cn1c(CC)nnc1N(C)[C@H]1CCc2ccccc21 572539306 KGRSJWFZPJHVDO-INIZCTEOSA-N 296.418 3.540 30 20 CHED CC(C)CCc1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 574141873 PUKYWAICCKZORO-LSDHHAIUSA-N 281.359 3.801 30 20 CHED C=CCn1c(C)cc(C(=O)COc2cc(C)nc(C)c2)c1C 579662169 QGVJRFLMBZREHN-UHFFFAOYSA-N 298.386 3.564 30 20 CHED C=CCCC[C@H](C)NCc1nc(CCC)cs1 494192424 QUVVQVLFXKIIOH-LBPRGKRZSA-N 252.427 3.930 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc(O)c(F)c1 728438987 SPNPHZRTEFPFJA-AATRIKPKSA-N 286.302 3.744 30 20 CHED C=CCC1(C(=O)N2CCCc3c(F)cccc32)CCC1 572309511 QKRYBBYCYAOHLT-UHFFFAOYSA-N 273.351 3.851 30 20 CHED C#Cc1ccc(CNc2ccc(NC(=O)OCC)cc2)cc1 496684718 LLAFITMESFDVEF-UHFFFAOYSA-N 294.354 3.848 30 20 CHED CC(C)c1nccnc1NN=C1CC2(CCCC2)C1 901232076 TWLYHJIQANUQLB-UHFFFAOYSA-N 258.369 3.722 30 20 CHED C=C[C@@H]1OCC[C@H]1Nc1cc2ccccc2c(Cl)n1 828958739 CRGSMHLXJCPUPQ-OLZOCXBDSA-N 274.751 3.644 30 20 CHED N#C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)[C@@H](O)CCCC3)C1 827024277 BTKHSTZQDMHNKX-SIIHOXLZSA-N 284.403 3.941 30 20 CHED N#Cc1cccc(OCCOC(=O)/C=C\C2CCCCC2)c1 735566097 WFPQHVWUSLMROY-KTKRTIGZSA-N 299.370 3.617 30 20 CHED C=C[C@H]1CCCCN1C(=O)NCc1ccc(C)cc1C 494662806 SZUCFPJSXNMGJR-INIZCTEOSA-N 272.392 3.554 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(C(=O)O)cc2)cc1C 832280347 BJNUBNKNWLIQJB-OQFOIZHKSA-N 296.322 3.598 30 20 CHED CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(CC#N)CC1 583246646 ZLTGYTBHLMSSOI-HZPDHXFCSA-N 291.439 3.538 30 20 CHED CC(C)CC1CCN(C(=O)c2ccsc2C#N)CC1 907000615 QJESSWGQSJRSMM-UHFFFAOYSA-N 276.405 3.518 30 20 CHED CCc1ccc(C(=O)/C=C\c2cncn2C(C)C)s1 901443250 NGTWEPBMNHLRRD-ALCCZGGFSA-N 274.389 3.984 30 20 CHED C[C@]1(C(=O)OCC2(C#N)CCCCC2)CC=CCC1 835282596 UNFWNOFBOYHZHW-HNNXBMFYSA-N 261.365 3.750 30 20 CHED C=CC[C@@H]1CCCN(c2ncnc3c(F)cccc23)C1 664256465 QJYDZFLTWDZZRU-GFCCVEGCSA-N 271.339 3.561 30 20 CHED CC(C)(C)C[C@@H](Sc1ccc(C#N)cc1F)C(=O)O 833430433 WPNTZOBDRWCIFE-GFCCVEGCSA-N 281.352 3.679 30 20 CHED C=CC[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)C1)c1ccncc1 734661878 PXOHJCNVNNETMC-BMFZPTHFSA-N 287.407 3.577 30 20 CHED CCCC[C@@H](C)N(C)C(=O)Nc1ccc(F)cc1C#N 581138493 RLYIZJXEMVGZTF-LLVKDONJSA-N 277.343 3.740 30 20 CHED Cc1ccc2c(CC(=O)O[C@H]3CCC[C@@H](C#N)C3)coc2c1 839052953 CHNUSNMNQYPPDC-HIFRSBDPSA-N 297.354 3.909 30 20 CHED Cc1cc(NN=Cc2ccc(-c3ccccc3)cc2)ncn1 731935789 RHFMVKPHMYCGCZ-UHFFFAOYSA-N 288.354 3.898 30 20 CHED CC#CCCCC(=O)N[C@H]1CCc2sc(Cl)cc21 584812142 IWHICUXAOVHAJE-NSHDSACASA-N 281.808 3.699 30 20 CHED C=CCSc1ccccc1C(=O)O[C@H]1CCOC[C@H]1C 835772681 MGRSZUJQLYKPOW-OCCSQVGLSA-N 292.400 3.547 30 20 CHED C#CCCCC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 837177365 LFTSSPZDJICNAQ-HOCLYGCPSA-N 289.806 3.896 30 20 CHED CCC(CC)=NNc1cc(CC)nc(-c2ccccn2)n1 730463823 SFUQGXJBPGUWPI-UHFFFAOYSA-N 283.379 3.689 30 20 CHED CCN(C(=O)OC1CCC1)[C@@H](C)c1ccc(C#N)cc1 830009359 ZJNYWJVAJRGGFX-LBPRGKRZSA-N 272.348 3.630 30 20 CHED C=C(Br)COC(=O)[C@H](C)CC1CCCC1 734051392 AQICASKFJRNLNK-SECBINFHSA-N 275.186 3.655 30 20 CHED C=CCN(C(=O)NCCC(C)(C)c1ccccc1)C1CC1 678542784 KCODVTYZAYKSDV-UHFFFAOYSA-N 286.419 3.714 30 20 CHED CCCCCC1=C(C)CCC1=NNc1cccnn1 735976142 DESBZDBERDXYAI-UHFFFAOYSA-N 258.369 3.935 30 20 CHED CC(C)(C#N)CN[C@H]1CCCOc2c(Cl)cccc21 903100305 NAQWNSJITJFJCW-ZDUSSCGKSA-N 278.783 3.693 30 20 CHED CC1(C)CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 732979505 DRFXFRFOKSLIMI-UHFFFAOYSA-N 294.402 3.501 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](C)C1CC1 839892774 ZZTJDZMOTHPAEU-WMLDXEAASA-N 271.404 3.726 30 20 CHED Oc1cccc(/C=N\CC2(Sc3ccccc3)CC2)c1O 731563426 PYAMZILGXAVZCK-WQRHYEAKSA-N 299.395 3.842 30 20 CHED CCC(CC)NN=Cc1ccc(OCC(F)(F)F)cc1 734364908 KQCVFZRDPNTPNH-UHFFFAOYSA-N 288.313 3.740 30 20 CHED Clc1ccc(NN=Cc2ccncc2)c(Cl)c1 916338454 NBURPFGYSLYMKP-UHFFFAOYSA-N 266.131 3.834 30 20 CHED C[C@@H](C#N)N(CCc1cc(Cl)cc(Cl)c1)C1CC1 595709424 FICXXOHJWWVLFN-JTQLQIEISA-N 283.202 3.912 30 20 CHED C/C=C\C(=O)Nc1nnc(CCCCCCCC)s1 912912547 DJBKWSNTKSACHP-WMZJFQQLSA-N 281.425 3.956 30 20 CHED C=CCN(C(=O)Nc1cc(C)nn1CCCCC)C(C)C 748953250 AXPUNSHTCPBWFK-UHFFFAOYSA-N 292.427 3.810 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)C1CCC1 747627793 HSQHVNVXSYNKDO-UHFFFAOYSA-N 258.152 3.976 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC1CCCCC1 593960498 CVJKEIOIEHPHLJ-HNNXBMFYSA-N 298.430 3.823 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCCC1CC1 591808503 PKNJSOIIRWVRQM-ZDUSSCGKSA-N 270.376 3.658 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1cc2cccc(C)c2s1 594091694 OWJKGIHPIFRDGC-GFCCVEGCSA-N 272.373 3.584 30 20 CHED Cc1cc(C#N)ccc1CN1CC(C)(C)[C@H]1c1ccncc1 596594878 XEEGMDKIVTZILQ-GOSISDBHSA-N 291.398 3.845 30 20 CHED CCCN(C(=O)[C@H](C)CC#N)c1cc(Cl)ccc1C#N 598810835 NZXZADISLXNHKA-LLVKDONJSA-N 289.766 3.504 30 20 CHED C=C[C@H](CC(=O)NC[C@@H](C)C1CC1)c1ccccc1 677522930 NXVABQDNYYBUEF-ZIAGYGMSSA-N 257.377 3.509 30 20 CHED N#C[C@H](C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nc(C2CC2)cs1 845613643 BDMYJKJYOPTSSJ-ZMJPVWNMSA-N 298.411 3.799 30 20 CHED C#CCOc1ccc(C(=O)N2CCC[C@](C)(CCC)C2)cc1 742970323 ZBQDYPOHYJDFSK-IBGZPJMESA-N 299.414 3.741 30 20 CHED COc1cccc(C=NNc2cccc(Cl)c2)c1OC 916269387 LAFGFHNUVVXYCQ-UHFFFAOYSA-N 290.750 3.803 30 20 CHED CC1(C)CC[C@H]1NCc1cc(C#N)ccc1Br 594004174 WSVRRMUCCRLYHS-CYBMUJFWSA-N 293.208 3.599 30 20 CHED O=C1CCc2cc(C(=O)/C=C\c3ccc(F)cc3)ccc2N1 915993097 JDSITLINDLREJX-OQFOIZHKSA-N 295.313 3.607 30 20 CHED CC(C)(C#N)C[C@@H](O)CN(Cc1ccccc1)C(C)(C)C 598593914 YELCCDINOSGWNR-MRXNPFEDSA-N 288.435 3.588 30 20 CHED CC(C)(C#N)Cc1cccc(-c2ccc(CO)cc2)c1 592989282 NWEOQLQRBJQVHX-UHFFFAOYSA-N 265.356 3.938 30 20 CHED CC(C)Cn1nccc1/C=C1/CCCC(C)(C)C1=O 843269469 NNTVMYCRBCXNEB-RAXLEYEMSA-N 260.381 3.702 30 20 CHED C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1 597903510 YQSQWCQYGKWIPD-CHWSQXEVSA-N 290.794 3.596 30 20 CHED N#CCN(C(=O)C1CCCCC1)c1ccc(Cl)cc1 592649256 ACPWYAQEZZGEDE-UHFFFAOYSA-N 276.767 3.777 30 20 CHED Cc1ccc2c(C(=O)N(C3CC3)[C@H](C)C#N)csc2c1 598137696 MMHQQUSBSZVNKQ-LLVKDONJSA-N 284.384 3.726 30 20 CHED C[C@H]1CCC[C@@H](C)N1C(=O)[C@H](C)Cc1ccc(C#N)cc1 593957638 OXNWUTAYUJEPRQ-KFWWJZLASA-N 284.403 3.526 30 20 CHED C#CCCOC(=O)c1ccc(Cl)c(C(F)(F)F)c1 747215750 ZSRYKCONWYKZAQ-UHFFFAOYSA-N 276.641 3.539 30 20 CHED C#CCCCNC(=S)Nc1ccc(C(C)C)cc1 743011814 WLLLSTMATHPZTI-UHFFFAOYSA-N 260.406 3.510 30 20 CHED CC(Cn1nc(C)cc1C)=NOC[C@@H]1CCCCC1(F)F 842022504 VJJWWJBEDAKBDR-AWEZNQCLSA-N 299.365 3.718 30 20 CHED C=CCCCCCSCc1onc(C)c1[N+](=O)[O-] 596356214 ICUKQWGHMXKLAR-UHFFFAOYSA-N 270.354 3.871 30 20 CHED Cc1cscc1NC(=O)c1ccccc1SCC#N 749019444 PTYHNNRAQFONJD-UHFFFAOYSA-N 288.397 3.925 30 20 CHED C=CCCCCN1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 599583263 QVTBLPUZHDKIEQ-LSDHHAIUSA-N 281.440 3.642 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CCC(C)=C(C)C1)c1ccccn1 842709941 IBKTWMBEDWHFRS-RDJZCZTQSA-N 283.371 3.826 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(NC(C)=O)c1C 682358810 NBEGSIBSSRFQGG-QGZVFWFLSA-N 288.391 3.803 30 20 CHED C=C(C)CCOC(=O)c1cc2c(OC(F)F)cccc2[nH]1 744303939 GURDUFBAUMBKHT-UHFFFAOYSA-N 295.285 3.892 30 20 CHED CC(C)(C#N)C[C@@H](O)CSc1ccc2ccccc2n1 598704205 MNLAGEMRSCIXCI-CYBMUJFWSA-N 286.400 3.628 30 20 CHED C=CCCC[C@H](C)NC(=O)C[C@@](O)(CC)c1ccccc1 840412097 KTYKQQGTNAINNU-YJBOKZPZSA-N 289.419 3.535 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)[C@H]1C[C@H]2C=C[C@H]1CC2 842530863 BOMDGGYFKYEBGI-YHUYYLMFSA-N 276.424 3.512 30 20 CHED CCN(C[C@H](C)C#N)C(=S)Nc1ccc(Cl)cc1 920995169 UNMWSRITPXCBEY-SNVBAGLBSA-N 281.812 3.518 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1ccc(-c2ccc(C)o2)s1 594086259 QZVIYDSXPXGDSG-LLVKDONJSA-N 288.372 3.691 30 20 CHED CCCCCC[C@H](C)C(=O)NCC#Cc1ccccc1 741892952 OOGDIOKBEIYBRT-INIZCTEOSA-N 271.404 3.761 30 20 CHED CCN(Cc1ccc(C#N)cc1F)c1ccc(OC)cc1 746109983 YYZDQROWWPHHEX-UHFFFAOYSA-N 284.334 3.732 30 20 CHED C=CCOc1ccc(OC(=O)[C@@H](C)c2ccco2)cc1 742860629 BFECFQMHGGBSPR-LBPRGKRZSA-N 272.300 3.554 30 20 CHED CCN(CC)c1ccc(/C=N\Cc2cnccc2C)c(O)c1 840709916 OZPGGXPQFKAJRX-JAIQZWGSSA-N 297.402 3.561 30 20 CHED CCC#C[C@H](C)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 684095309 VYFSIYVCRREAHQ-BQFCYCMXSA-N 271.404 3.546 30 20 CHED Cc1ccc(F)cc1C(=O)OCc1ccc(F)c(C#N)c1 758925335 CWLMSIRVIHGLPN-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1cccc([C@@H](NCC(C)(C)C#N)c2ccccn2)c1 926874020 LZCBENNIRXRECQ-QGZVFWFLSA-N 279.387 3.619 30 20 CHED C=CCCCC(=O)Oc1cc(Br)ccc1OC 857072018 ADXORNWVQHNVNH-UHFFFAOYSA-N 299.164 3.719 30 20 CHED C(=NNc1cnnc2ccccc12)c1ccccc1C1CC1 751134144 VZHREBSRBHLBCG-UHFFFAOYSA-N 288.354 3.953 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@H](c1ccccc1)c1ccccn1 929775114 UDXXEPWKHMURGW-HNAYVOBHSA-N 294.398 3.890 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ncoc1C1CC1 851141460 ASMNOYITJRQBJF-YPMHNXCESA-N 275.348 3.844 30 20 CHED CCCOc1ccc(/C=C2\CCn3nccc3C2=O)c(C)c1 853009002 CRTRPLSOQQKSQH-NTCAYCPXSA-N 296.370 3.650 30 20 CHED COc1cccc(O)c1/C=N/CCc1ccccc1Cl 921261908 WQNDIFNUNQWRGN-WOJGMQOQSA-N 289.762 3.716 30 20 CHED CC(C)[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1cccnc1 851204253 NIHYKBCMXSWTED-UKRRQHHQSA-N 288.391 3.693 30 20 CHED Cc1ccc2cc(C(=O)/C=C/c3c(C)n[nH]c3C)oc2c1 754825096 NCRMSJOLIZEPAH-VOTSOKGWSA-N 280.327 3.977 30 20 CHED COc1ccc(NN=C(C)c2cccc([N+](=O)[O-])c2C)cc1 750925108 PWFUWNJGOZUQEI-UHFFFAOYSA-N 299.330 3.748 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccnc(C(F)(F)F)c2)C1 855436908 NOVYCIITUSJTPR-NSHDSACASA-N 298.308 3.529 30 20 CHED COc1ccc(C[C@@H](C)CN[C@H](C)CC(C)(C)C#N)cc1 925640496 IGEFVGONKVELSG-HUUCEWRRSA-N 288.435 3.792 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1ccccc1F 851210414 QGAUAXQSOYGFMW-NWDGAFQWSA-N 277.339 3.801 30 20 CHED FC(F)(F)c1ccc(NN=C2CCC[C@@H](C3CC3)C2)nn1 754710558 KYBRLPRCTWVAMO-SNVBAGLBSA-N 298.312 3.864 30 20 CHED C=CCC(C)(C)C(=O)OCc1cccnc1C(F)(F)F 859703999 IBYKFNVPKUMEMR-UHFFFAOYSA-N 287.281 3.746 30 20 CHED CC(C)=C(C)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 752034151 OOHLGUGXIDLTPE-DLBZAZTESA-N 282.387 3.641 30 20 CHED C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccccc1F)OCC 756470058 JEYJCXLYFQPDCD-WFASDCNBSA-N 280.339 3.801 30 20 CHED Cc1oc2ccccc2c1C=NNc1cncc(Cl)n1 758097970 KCKULJAVEKCHAM-UHFFFAOYSA-N 286.722 3.631 30 20 CHED Cc1ccccc1SC[C@H](C)CN1CCC(C#N)CC1 859106051 SIRUJIAHWJFJNX-CQSZACIVSA-N 288.460 3.959 30 20 CHED CCc1nc(C#N)cc(S[C@@H](C)c2cccs2)n1 853362774 YCHQDMOEFNPUJE-VIFPVBQESA-N 275.402 3.825 30 20 CHED C=C(C)COC(=O)c1scc(C)c1Br 753642996 CDQRBHHOBOPNQI-UHFFFAOYSA-N 275.167 3.552 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1C(=O)OC1CCCC1 757525115 CRCLFUHSEHPCOU-UHFFFAOYSA-N 283.249 3.676 30 20 CHED COc1cc(OC(=O)C=C2CCC(C)CC2)ccc1C#N 767154839 ZLBIWBLDTRJPCS-UHFFFAOYSA-N 285.343 3.609 30 20 CHED C#C[C@@H](C)N(C)C(=O)Cc1cc2c(ccc3ccccc32)o1 767263332 JSQWZNYSLPBWNI-CYBMUJFWSA-N 291.350 3.609 30 20 CHED Fc1cccc(F)c1C=NNCc1cnc2ccccc2c1 764774793 FXOJTAPBAOQNDD-UHFFFAOYSA-N 297.308 3.637 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H]2CC[C@H](C)C2)n1 762002642 YKSNLQPVCJAOST-QWHCGFSZSA-N 282.343 3.652 30 20 CHED CC(=NNCC(F)(F)F)c1cccc(-c2ccncc2)c1 769808579 RPDBRPIUKRTMJL-UHFFFAOYSA-N 293.292 3.625 30 20 CHED CCCCOc1ccccc1C=NNc1ccccn1 767366684 IPIFQPZGNNGDGZ-UHFFFAOYSA-N 269.348 3.707 30 20 CHED CC(C)(C)SCCCC(=O)N[C@](C)(C#N)C(C)(C)C 766581630 SXRQUOCXDYONSP-OAHLLOKOSA-N 284.469 3.743 30 20 CHED C#CCCc1noc(Cc2cc(Cl)ccc2Cl)n1 762008961 KHATYINRBOEIQD-UHFFFAOYSA-N 281.142 3.533 30 20 CHED C#CCCCNC(=O)NC1CCC(C)(c2ccccc2)CC1 767957783 DRXLKQOEXPNURG-UHFFFAOYSA-N 298.430 3.600 30 20 CHED N#Cc1ccccc1/C=C\C(=O)OC1CCC(F)(F)CC1 860966979 CIRUKUCDQAPFBN-WAYWQWQTSA-N 291.297 3.693 30 20 CHED Cc1cccc(F)c1NN=Cc1cc(F)ccc1F 769841011 RGNQFYGHTYZDIA-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C#CCCc1noc([C@H](C)Cc2ccccc2Cl)n1 762017749 MKGQZBJAAFOLLQ-LLVKDONJSA-N 274.751 3.635 30 20 CHED CCO[C@@H](CC(=O)Nc1ccc(Cl)cc1C#N)C(C)C 1119425298 DLGWRXAKJXANBT-AWEZNQCLSA-N 294.782 3.601 30 20 CHED Cc1nc(/C=C2\CCc3c(Cl)cccc3C2=O)[nH]c1C 1119597450 PMMMAWNRUCOVNL-DHZHZOJOSA-N 286.762 3.892 30 20 CHED C=CCCO[C@@H](C)C(=O)OCc1ccccc1C1CC1 1118398249 SDIJNKHJXIYGCF-ZDUSSCGKSA-N 274.360 3.588 30 20 CHED C[C@@H](CCC#N)CN[C@H]1CCc2ccc(Cl)cc21 877659843 FAIJMSYLAPZGBE-NHYWBVRUSA-N 262.784 3.857 30 20 CHED C=CC[C@H](C(=O)Nc1n[nH]c(C2CC2)c1C)c1ccccc1 779377923 QQNROYQTRHRNBH-HNNXBMFYSA-N 295.386 3.894 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)cc1F 776726051 GPAWCOKICPIQLP-KXFIGUGUSA-N 294.260 3.604 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)Cc2ccccc2CC#N)C1 776979956 KMWLJOZUSIGENQ-MRXNPFEDSA-N 298.430 3.580 30 20 CHED COc1ccc(C(C)=NOCCC(F)(F)F)cc1F 777455873 NGYBETUWXMAYJT-UHFFFAOYSA-N 279.233 3.527 30 20 CHED C#Cc1ccc(C(=O)N[C@@H](CCC=C)c2ccccc2)nc1 772170782 YXYYHLCQCIGYIG-KRWDZBQOSA-N 290.366 3.500 30 20 CHED CCCCCCCCCNC(=O)NC[C@@H]1CCO[C@@H](C)C1 770819502 NEINGIONDHCUJJ-JKSUJKDBSA-N 298.471 3.851 30 20 CHED C=CCCC[C@H](C)NC(=O)c1c(O)cccc1Cl 776016327 NUJZLXJJKGPEEW-JTQLQIEISA-N 267.756 3.520 30 20 CHED C=CC[C@@H](C(=O)OCCCC(=O)CC)c1ccccc1 778427380 LUHSOKVKVDLAJE-MRXNPFEDSA-N 274.360 3.649 30 20 CHED C#CCCN[C@H](c1cc(F)cc(Br)c1)C1CC1 775870705 AXNUYOYSODWUNQ-AWEZNQCLSA-N 296.183 3.652 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)C(F)=C1CCCC1 779471733 LVOBFQQCNOPSMJ-UHFFFAOYSA-N 289.306 3.660 30 20 CHED CCCCCC[C@H](C)NN=Cc1ccc(F)nc1 777438126 QGJGQOFGRLUOAS-LBPRGKRZSA-N 251.349 3.503 30 20 CHED C/C=C(/C=C\C(=O)O[C@H](C#N)C1CCCCC1)CC 776395481 KUTPYQZIBNOOQL-UNFAHRCASA-N 261.365 3.915 30 20 CHED C#C[C@H](N[C@@H](C)c1ccc2ccccc2c1)[C@H]1CCCO1 775574495 PRLFITMPJNTUOI-ZOCIIQOWSA-N 279.383 3.671 30 20 CHED Cc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)cc(Cl)n1 778563373 QNYZRQILGDTLFY-ZDUSSCGKSA-N 292.766 3.673 30 20 CHED CCCCCCCCCN(C)Cc1nnc2n1CCCC2 771796276 LSRZLEWASJJNDZ-UHFFFAOYSA-N 292.471 3.797 30 20 CHED Cc1cccc(C)c1CN(C)C(=O)c1cccc(CC#N)c1 887962133 SBUBJGMYHCJEBY-UHFFFAOYSA-N 292.382 3.642 30 20 CHED C#CC[C@H](C)OC(=O)c1sc2ccc(C#N)cc2c1C 1122648869 CICDXZHFGLVGKH-JTQLQIEISA-N 283.352 3.650 30 20 CHED CC[C@H](C#N)Sc1nc2cccc(F)c2s1 882346991 XTENNCDPAVQIOV-SSDOTTSWSA-N 252.339 3.830 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1nccnc1C 783511010 GOBJYXCXRORMRU-UHFFFAOYSA-N 294.280 3.640 30 20 CHED C=C[C@@H]1CCCCN1C(=O)C(F)(F)c1ccc(C)cc1 785867116 RJJUIELNIVOKBA-CQSZACIVSA-N 279.330 3.654 30 20 CHED C[C@]1(C#N)CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 784748345 WCJJJYFNABZKST-KQQSKNTNSA-N 288.778 3.505 30 20 CHED CC(C)(C)C1CCC(=NNCCc2ccccn2)CC1 789096361 BQDBXEJQRSVCAQ-UHFFFAOYSA-N 273.424 3.806 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCCc2sccc21 1127869166 UOGVVFVGACQOHX-OAHLLOKOSA-N 296.395 3.736 30 20 CHED Fc1cccc(C2CC(=NNC3CCCCC3)C2)c1 786039516 DADXRPKZONYHAF-UHFFFAOYSA-N 260.356 3.981 30 20 CHED CC(C)(C#N)CCCOC(=O)CSc1ccc(F)cc1 782471900 ZUJFUBMGIGNSQC-UHFFFAOYSA-N 295.379 3.791 30 20 CHED CC(C)=CCC/C(C)=C\C=NOC[C@H]1CCOC1 788036765 MSKPHGIVGSMTLM-OQZLZWMHSA-N 251.370 3.718 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc2nc(C(C)C)sc2c1 789837205 ZXXONAKWLNIALL-JTQLQIEISA-N 287.388 3.563 30 20 CHED C[C@]1(c2ccccc2)CC[C@@H](NCc2ccc(C#N)cn2)C1 783294286 NOSUMOKEAAOWPN-MJGOQNOKSA-N 291.398 3.553 30 20 CHED CCSc1cccc(C=NN[C@H]2CCOC(C)(C)C2)c1 780252510 ZZYLQGNGKBKVQT-AWEZNQCLSA-N 292.448 3.680 30 20 CHED Fc1ccc(/C=C\C=NNC2CCCCC2)c(F)c1 786042888 CGGJOQLXMNNEFT-DLRRHIBLSA-N 264.319 3.886 30 20 CHED Cc1cc(Cl)ccc1C=NNc1ncncc1Cl 780275654 SKFGDGZHUFCAGI-UHFFFAOYSA-N 281.146 3.538 30 20 CHED Cc1cc(F)cc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1N 783287341 XQSSYGDHNHZDPO-LLVKDONJSA-N 298.317 3.506 30 20 CHED C=CCCN(C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 786446963 SEEZMGKIMQLVAS-CYBMUJFWSA-N 271.364 3.614 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CC12CCOCC2 786442408 WINWGUIOECANFA-AWEZNQCLSA-N 268.397 3.707 30 20 CHED CC(=NOCc1ccc(C(F)(F)F)cc1)c1cc(C)on1 790296932 FPAXUTNUUODZLY-UHFFFAOYSA-N 298.264 3.943 30 20 CHED O=[N+]([O-])c1c(F)cccc1NN=Cc1cccc(Cl)c1 790307547 YXXLAGDPCPJZJI-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CC(=O)c1cc(C(=O)Oc2ccc(C#N)c(C)c2)ccc1C 791011172 NXTFDZGEHYWRGV-UHFFFAOYSA-N 293.322 3.597 30 20 CHED C=CCCCCC[C@H](C)N[C@H](C)C1CCOCC1 793532538 MKJUIPGXUOWVEY-LSDHHAIUSA-N 253.430 3.916 30 20 CHED C[C@@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)C(C)(C)C 1208479390 VKRIWUJNQOPEEC-VIFPVBQESA-N 295.333 3.640 30 20 CHED C=CCCCOC(=O)c1ccc(C(C)(C)C#N)cc1 796041367 QWOIMJMCMSZFCW-UHFFFAOYSA-N 257.333 3.611 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(COC(C)(C)C)on1 797117095 BJQWODQWFYCOKF-UHFFFAOYSA-N 295.379 3.635 30 20 CHED Cc1cc(OC(=O)[C@H](c2cccnc2)C(C)C)ccc1C#N 798214484 JMMPWGMJOQTHRB-KRWDZBQOSA-N 294.354 3.607 30 20 CHED COC(=O)c1occc1/C=C\C(=O)c1ccc(C)cc1C 797109984 SCGZNKNZZQYKBC-ALCCZGGFSA-N 284.311 3.579 30 20 CHED CCOc1ccc(/C=N/C[C@@H]2CCC(F)(F)C2)c(O)c1 797398755 QNLQOJSYPDAVLJ-VDCVXVNISA-N 283.318 3.645 30 20 CHED COc1cccc(C=NNc2cc(C)cc(C)c2)c1F 799870626 SREFTJGXYRZOQB-UHFFFAOYSA-N 272.323 3.897 30 20 CHED CCC#C[C@@H](C)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 794671647 VYIXLKIZKFTQOF-AHRSYUTCSA-N 293.410 3.853 30 20 CHED N#CCc1cccc(NC(=O)c2cncc3ccccc23)c1 1150921922 ALIXSBYKVLTMQW-UHFFFAOYSA-N 287.322 3.553 30 20 CHED Cc1ccc(C[C@H](C)Nc2nccc(C)c2C#N)s1 135081062 UZAIUTQDGZSFJP-NSHDSACASA-N 271.389 3.675 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)c1ncnc2ccsc12 1163559394 SLJKRDUCTKPHBF-LLVKDONJSA-N 294.383 3.760 30 20 CHED CCCCCCCOc1cc(C=O)ccc1[N+](=O)[O-] 88278032 OMOVKCNNTISNIN-UHFFFAOYSA-N 265.309 3.757 30 20 CHED C=CCCCCNc1ncccc1Br 393685256 XHVMDRPCJLCZHT-UHFFFAOYSA-N 255.159 3.612 30 20 CHED N#Cc1cccc(C2(c3nnc(C4CCCC4)o3)CC2)c1 1322280275 IROVKVXAOONQQZ-UHFFFAOYSA-N 279.343 3.679 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(C)c(C)s2)c1 103033368 KJXWMGNYLPQVGH-UHFFFAOYSA-N 269.369 3.623 30 20 CHED CC(C)(C)c1ncc(CN2CCC[C@@H](CC#N)C2)s1 597173633 LJLGXIZOWWXQPX-LBPRGKRZSA-N 277.437 3.566 30 20 CHED C[C@@H](Nc1ccc(OCC#N)cc1)c1ccccc1N(C)C 1320096152 ZQQMGXUDIFALRK-CQSZACIVSA-N 295.386 3.828 30 20 CHED O=C(CC#Cc1ccccc1)N[C@@H]1CCCc2sccc21 1321212625 BFZTYOBGWSCBKX-MRXNPFEDSA-N 295.407 3.684 30 20 CHED C=C(C)CCNC(=O)c1ccc(C2SCCS2)cc1 1326587567 NQKRSQMGZVSFTB-UHFFFAOYSA-N 293.457 3.861 30 20 CHED Cc1cc(N2CCCC3(CCCCC3)C2)cc(C#N)n1 570951805 JDEIRKQUAICAGK-UHFFFAOYSA-N 269.392 3.812 30 20 CHED Cc1cc(CS(=O)(=O)CCCCC(C)(C)C#N)cs1 1332038268 JZUMHWLGXBGCKB-UHFFFAOYSA-N 299.461 3.691 30 20 CHED Cc1cc(C(=O)Nc2ccc(Cl)cc2C#N)c(C)o1 695704034 JJKYFWJCTIXNNS-UHFFFAOYSA-N 274.707 3.674 30 20 CHED C[C@H](Nc1ncc(Cl)cc1F)c1ccc(C#N)cc1 94052116 FRZAANYJJQWELT-VIFPVBQESA-N 275.714 3.919 30 20 CHED CC1(C)CCCC[C@@H]1Nc1cccc(OCC#N)c1 94277023 VHKZKHCVCIQESJ-HNNXBMFYSA-N 258.365 3.970 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1nc(Cl)ccc1Cl 1337681322 WGJDHNOIBXCWJL-SNVBAGLBSA-N 299.201 3.959 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)nc1 1262654892 VPPDGFPYYQNELQ-LBPRGKRZSA-N 298.308 3.671 30 20 CHED C#C[C@@H](NC(=O)Nc1ccccc1C(F)F)C(C)(C)C 1330734607 XAXXVZJCALOTOW-GFCCVEGCSA-N 280.318 3.794 30 20 CHED N#CCc1cccc(NCc2cccn2C2CC2)c1 1261256318 CBPDHADKPPPRFD-UHFFFAOYSA-N 251.333 3.501 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1CC(=O)c1cccs1 1346896146 QFRVJQCKFUXGHP-ZDUSSCGKSA-N 291.416 3.668 30 20 CHED N#Cc1ccccc1OCCN1CCCC2(CCCC2)C1 1193517736 XTBKMVAILXBACK-UHFFFAOYSA-N 284.403 3.593 30 20 CHED C=C(CC(C)C)C(=O)N1CC[C@H]1c1ccc(F)cc1 1263861143 RFGONCDNPOUSQS-HNNXBMFYSA-N 261.340 3.701 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1 1347520993 DYYPEIHMCGNIKR-MRXNPFEDSA-N 282.387 3.749 30 20 CHED N#C[C@@H](NC(=O)c1ccc(-c2ccccc2)o1)C1CCCC1 1353576474 SHNINIYTMSGTPQ-OAHLLOKOSA-N 294.354 3.759 30 20 CHED CC[C@@H](OC(=O)c1ccc(C#N)cc1OC)c1ccccc1 1358223488 WLMYXESKAJRIDQ-MRXNPFEDSA-N 295.338 3.875 30 20 CHED CO[C@@H](COc1ccc(C#N)cc1F)c1ccc(F)cc1 1458997393 LBBHWLCQEDAMOW-INIZCTEOSA-N 289.281 3.603 30 20 CHED Cc1ccc(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)cc1C#N 1457376249 OCRRHJJVZGSSGM-BBRMVZONSA-N 284.403 3.811 30 20 CHED C=C(CC)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 1520147074 WRZOTTOUAIQPQO-ZFWWWQNUSA-N 261.340 3.544 30 20 CHED Cc1ccc(C(=O)Nc2cccc(CC#N)c2)c(F)c1F 1525933395 DDSAROVYHLFAKI-UHFFFAOYSA-N 286.281 3.592 30 20 CHED O=C(/C=C/c1ccc(C(=O)O)o1)c1csc(Cl)c1 1608285029 UZDDBESCBBAKCW-HNQUOIGGSA-N 282.704 3.589 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CC1(C)C 1536677600 XZRUBKVPTITPIO-OCCSQVGLSA-N 290.794 3.766 30 20 CHED N#Cc1cccc(S[C@H](C(=O)O)c2ccc(F)cc2)c1 1601121230 IALAQECEJXEJHS-AWEZNQCLSA-N 287.315 3.615 30 20 CHED CCCN(C)c1c(C#N)cnc2c(Cl)cccc12 1472671426 KCERXYABGCDQGH-UHFFFAOYSA-N 259.740 3.606 30 20 CHED CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C#N 1617557609 WSJGVSOGPLOEIV-ZJUUUORDSA-N 264.756 3.832 30 20 CHED C[C@@H]1CCCC[C@@]1(C)NCCc1ccc(C#N)cc1 1618388220 YGFZBKQRMAABAW-RHSMWYFYSA-N 256.393 3.659 30 20 CHED COc1ccccc1[C@@H](C)Sc1ccnc(C#N)c1 1559116378 WXZQDFUGNFLKAQ-LLVKDONJSA-N 270.357 3.815 30 20 CHED CC(C)CC(C)(C)CNC(=O)Nc1ccc(F)cc1C#N 1562449807 RMJHPUSAFGGKSL-UHFFFAOYSA-N 291.370 3.891 30 20 CHED Cc1cc(N2CCC[C@@H](CC(C)C)C2)ncc1C#N 1650862226 IBWVWGLMRGEVMI-AWEZNQCLSA-N 257.381 3.524 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N(CC)C1CCCC1 1749249428 FLDWCAVKFRHHKD-UHFFFAOYSA-N 296.846 3.923 30 20 CHED Cc1cc(OC(C)C)ccc1Nc1ncc(C#N)cc1F 1655000177 AXXUVBRUOMYLQQ-UHFFFAOYSA-N 285.322 3.932 30 20 CHED C=CC[C@H](N[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)O 1588744598 AEVWQTPYBCZZAN-UONOGXRCSA-N 281.783 3.656 30 20 CHED C=CCCCCCOc1ccc(N(C)C)c(C(=O)O)c1 1588799797 ITLJPUVMHLXMEY-UHFFFAOYSA-N 277.364 3.576 30 20 CHED C=CC[C@H](C(=O)O)N1C[C@H](C(C)(C)C)Cc2ccccc21 1588728455 KDEUKLUXARTYCL-GDBMZVCRSA-N 287.403 3.741 30 20 CHED Cc1cc(N2C[C@H](c3ccccc3C)C[C@@H]2C)ncc1C#N 1655173827 OTLQKOOFTZZHKD-JKSUJKDBSA-N 291.398 3.953 30 20 CHED Cc1cccc2c1C(=O)/C(=C\c1cc(C(=O)O)cs1)C2 1777455648 ITSSHXRNPUSZPT-WDZFZDKYSA-N 284.336 3.577 30 20 CHED CCCCCCCCNc1ccncc1C(=O)O 161037927 OIHWOZMNFUDDSU-UHFFFAOYSA-N 250.342 3.552 30 20 CHED CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1sccc1C#N 161128587 ADEJIEAWGKUEAO-YPMHNXCESA-N 276.405 3.661 30 20 CHED CC(=O)c1ccc(OCc2ccc(F)c(C#N)c2)c(F)c1 158588475 FRAKQRCTGXVKKO-UHFFFAOYSA-N 287.265 3.618 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 157578594 VGDACZVPXMKBQJ-ZDUSSCGKSA-N 277.795 3.719 30 20 CHED COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 157928827 MMQLOCWXKPYTIE-QGZVFWFLSA-N 292.382 3.556 30 20 CHED C=CCCC[C@H](C)NC[C@H](O)c1cccc(Cl)c1 819210167 TZSHQTMNYPNDLS-WFASDCNBSA-N 267.800 3.708 30 20 CHED C#CCSCCN[C@@H](C)c1cccc2ccccc12 226326370 RFIJOBBHWZJDKK-AWEZNQCLSA-N 269.413 3.857 30 20 CHED CC(C)(C#N)CCCCN1CCSC(C)(C)CC1 228088408 ORLOATCZRJXUCA-UHFFFAOYSA-N 268.470 3.924 30 20 CHED Cc1nc(C)c(C(=O)Nc2ccc(Cl)c(C#N)c2)s1 122097787 FPNDCQLOZJAJOA-UHFFFAOYSA-N 291.763 3.537 30 20 CHED C#Cc1cccc(NCc2ccc3cnccc3c2)c1 232482752 WDZPMAAYYVAOIM-UHFFFAOYSA-N 258.324 3.828 30 20 CHED CC(C)(C#N)CCCC[S@](=O)Cc1ccccc1 232526404 UGAJZFUDDOEVLH-SFHVURJKSA-N 263.406 3.655 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 232890287 VUINXWQAQDNUTL-UHFFFAOYSA-N 295.726 3.517 30 20 CHED COc1ccc(C#N)cc1CNc1cc(F)ccc1C 129243849 JIFWPWNGCICFQC-UHFFFAOYSA-N 270.307 3.627 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2ccccc2C#N)c1 130691398 UUPQZGNKZOHRBB-UHFFFAOYSA-N 270.719 3.772 30 20 CHED C[C@H]1CCCC[C@@H]1CNCc1ccc(OCC#N)cc1 42858736 HPKWCXIJMFQXNT-GOEBONIOSA-N 272.392 3.505 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2C2CCCC2)cc1 44352434 MNXYSRQQTSGJAO-KRWDZBQOSA-N 254.377 3.713 30 20 CHED N#CC1(C(=O)Nc2ccc(C3CCC3)cc2)CCCC1 278872113 OGASDDVKZKPZPC-UHFFFAOYSA-N 268.360 3.977 30 20 CHED N#Cc1cc(NC(=O)[C@H]2CC=CCC2)ccc1Cl 48824308 QTRRIPPAGOGTOE-JTQLQIEISA-N 260.724 3.506 30 20 CHED C#CCCCCC(=O)N1CCC(c2ccccc2)CC1 179692510 MWQAQEZGKSSTGG-UHFFFAOYSA-N 269.388 3.586 30 20 CHED CC(C)(CNC(=O)C1(C#N)CCCCC1)c1cccs1 74649400 NGXPBUPOYRHOGV-UHFFFAOYSA-N 290.432 3.616 30 20 CHED CN(CCCOCc1ccccc1)c1ccc(C#N)cc1 309990687 ZQUZFRVZCRFLAT-UHFFFAOYSA-N 280.371 3.601 30 20 CHED N#Cc1ccc(NCc2cc(Cl)sc2Cl)nc1 312759267 SFFUUZITRJESFU-UHFFFAOYSA-N 284.171 3.934 30 20 CHED Cc1cc(Cl)cc(C(=O)Nc2cccc(CC#N)c2)c1 313449915 QEMSZHFLXDUDPI-UHFFFAOYSA-N 284.746 3.967 30 20 CHED C=C(CC)CN[C@@H](C)c1ccc(OC(F)F)cc1 313501021 QKGPKOJVPYSQNO-NSHDSACASA-N 255.308 3.905 30 20 CHED CC(C)CC[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1 78312853 SWAKTMYVPYXFBX-CYBMUJFWSA-N 273.380 3.699 30 20 CHED N#Cc1ccnc(N2CC[C@H]2c2ccccc2)c1Cl 334427648 XGAZMPITTDSLDC-ZDUSSCGKSA-N 269.735 3.558 30 20 CHED C[C@@H](CC1CCCCC1)NC(=O)C1(C#N)CCCCC1 487226989 SADJGUZKXBZIFW-AWEZNQCLSA-N 276.424 3.936 30 20 CHED C=CCOC(=O)c1ccc(SC(F)(F)F)cc1 807625831 LHFOBSBKRKUYQF-UHFFFAOYSA-N 262.252 3.641 30 20 CHED N#CCCC1CCN(Cc2ccc(Cl)cc2F)CC1 399404618 PDNUOGIJOGGGJX-UHFFFAOYSA-N 280.774 3.995 30 20 CHED N#CCOC(=O)CSc1cccc2cccc(Cl)c12 5468861 BDQYJFUWPVBVOA-UHFFFAOYSA-N 291.759 3.652 30 20 CHED N#Cc1cccc(COc2ccc(C#N)cc2Cl)c1 7857177 JBFRKHSDHGQWEE-UHFFFAOYSA-N 268.703 3.662 30 20 CHED COc1cc2c(cc1OC)C(=O)/C(=C\c1ccccc1)C2 17256025 OFGKZKHSXFVVBV-ZSOIEALJSA-N 280.323 3.526 30 20 CHED C=CCN(Cc1cccs1)C(=O)NCc1ccccc1 25071488 PALWGLLDQQHPCG-UHFFFAOYSA-N 286.400 3.646 30 20 CHED COc1cccc2c1N(Cc1ccccc1C#N)CCC2 26338969 HHHDCBLHQZVQRI-UHFFFAOYSA-N 278.355 3.520 30 20 CHED C#Cc1cccc(NCc2csc(-c3ccccn3)n2)c1 37185140 YPCWXUXMHWNNPV-UHFFFAOYSA-N 291.379 3.799 30 20 CHED C[C@H](NC[C@H]1Cc2ccccc21)c1ccc(C#N)cc1 37565360 ZIQFZZXQYGMOKC-SUMWQHHRSA-N 262.356 3.549 30 20 CHED C[C@H](NCc1ccc(C#N)cc1F)c1cccc(F)c1 42336076 RHBNTAHIEYHNNQ-NSHDSACASA-N 272.298 3.687 30 20 CHED CCCCCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 43966285 LVOPURCWWSBKEK-UHFFFAOYSA-N 297.320 3.753 30 20 CHED C=C(C)CN(CC)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 44464613 QADWJQIEIWUOGP-RYUDHWBXSA-N 277.330 3.780 30 20 CHED Cc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 47955995 QEPBFEVWMHMCJZ-CYBMUJFWSA-N 279.343 3.749 30 20 CHED Cc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)cc1C 49151545 ZTEQNKCREUCGGP-CMDGGOBGSA-N 268.360 3.550 30 20 CHED CCCCCCC[C@@H](C)NC1CCN(C(=O)C2CC2)CC1 59474676 ZDLGTWIMYSDFSW-OAHLLOKOSA-N 294.483 3.726 30 20 CHED C[C@H](NCc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1 62706579 MYBLIJJNOLETDK-JTQLQIEISA-N 290.288 3.826 30 20 CHED CSc1ccc(OCc2cccc(C#N)c2)cc1 70160036 JHTKOVNUSUEFCJ-UHFFFAOYSA-N 255.342 3.859 30 20 CHED N#Cc1ccc(NC(=O)c2coc3ccccc23)cc1 70379552 HJJBSOALVAFAFD-UHFFFAOYSA-N 262.268 3.557 30 20 CHED C[C@@H](/C(O)=N/c1cccc(F)c1)N1CCC(C)(C)C1 76014824 ZYWYFVHDDSGEDK-NSHDSACASA-N 264.344 3.534 30 20 CHED COc1cc(C)ccc1NCc1ccc(C#N)cc1F 79183287 UQKMNHNNPKDAKR-UHFFFAOYSA-N 270.307 3.627 30 20 CHED C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(SCC#N)c1 79382303 NNXFJKAATFCXDW-DOMZBBRYSA-N 288.416 3.611 30 20 CHED C=CCOCCCC(=O)Nc1c(C)cccc1Cl 85296961 HAMMVCQCNSBHPJ-UHFFFAOYSA-N 267.756 3.570 30 20 CHED C=C(Br)CN[C@H](C)C1CCCCCC1 88169264 HJLYLTQUKSKWPG-LLVKDONJSA-N 260.219 3.844 30 20 CHED CCn1nc(CNc2ccc(C#N)cc2)c2ccccc21 89173991 UQYCPBDLLKKRQU-UHFFFAOYSA-N 276.343 3.540 30 20 CHED Cc1ccc(CCNc2snc(Cl)c2C#N)cc1 92655153 RYSBIFRMGSAIDR-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2C[C@H]3CCCC[C@H]3C2)cc1 93441935 HIVBBNFCJWYXAN-BHYGNILZSA-N 284.403 3.599 30 20 CHED C[C@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CS1 94473181 CBBFLDAIAPMECN-GZMMTYOYSA-N 286.322 3.883 30 20 CHED Cc1ccc(C(=O)/C=C\c2cnn(Cc3ccccc3)c2)o1 96930442 MBGDVQPITOPKJF-HJWRWDBZSA-N 292.338 3.729 30 20 CHED CCCCCCCCCC(=O)N1CCC([C@H](C)N)CC1 115859314 CRFFJDWOPGYETD-HNNXBMFYSA-N 282.472 3.713 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1cccc(OC(C)C)c1 116941881 QQLNXRPWDHYSNN-ZIAGYGMSSA-N 290.407 3.799 30 20 CHED C=CC[C@@H](C)NC(=O)N[C@H](C)c1cc(C)cc(C)c1 116957273 FFNUQQNIJHFASU-ZIAGYGMSSA-N 260.381 3.628 30 20 CHED C=CCCCSc1nnc(-c2ccccc2OC)n1C 117548184 RCTHWLGMNNXXBO-UHFFFAOYSA-N 289.404 3.549 30 20 CHED C#CCCCCC(=O)N(Cc1ccc(C)s1)C(C)C 119715384 HGLBQYQPHIDPTI-UHFFFAOYSA-N 277.433 3.987 30 20 CHED C#CCCCCC(=O)NCC1(c2cccc(Cl)c2)CC1 119887787 PRVUJBFAYPNKDZ-UHFFFAOYSA-N 289.806 3.681 30 20 CHED COc1ccccc1[C@H](C)NCc1ccc(C#N)cc1F 120096241 RPHGEPMEXJSESD-LBPRGKRZSA-N 284.334 3.557 30 20 CHED N#Cc1ccsc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 124605902 WXZWSRYWLGMNHF-OLZOCXBDSA-N 286.331 3.501 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccccc1Br 125611874 LKKJOJMEIWPLCD-LBPRGKRZSA-N 298.224 3.692 30 20 CHED C[C@H](Cc1ccc(O)cc1)Nc1ccc(CC#N)cc1 126646842 FTKNPSQKTGYDGS-CYBMUJFWSA-N 266.344 3.501 30 20 CHED CC(C)C[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 127685110 CGMUNYDHJYMKAY-UONOGXRCSA-N 260.381 3.502 30 20 CHED CCN(C(=O)c1sccc1C#N)c1ccc(F)c(F)c1 128060916 XMNIMTVHKBURKX-UHFFFAOYSA-N 292.310 3.565 30 20 CHED C=C[C@@H](C)Nc1ncc(C(F)(F)F)cc1Cl 130654783 POCWBRKIVMSCHC-ZCFIWIBFSA-N 250.651 3.740 30 20 CHED C[C@@H]1CCc2nc(CNc3cccc(C#N)c3)sc2C1 132886786 OBUQFPVZUXRLKM-LLVKDONJSA-N 283.400 3.752 30 20 CHED CCCCCCC[S@](=O)Cc1c(C)nn(C)c1Cl 133387843 FEAABECSFIEENM-GOSISDBHSA-N 290.860 3.601 30 20 CHED CCOCCCCNc1ccc(C#N)cc1C(F)(F)F 133402825 FBQJICSVYLWBGW-UHFFFAOYSA-N 286.297 3.806 30 20 CHED C=CCC[C@@H](NC(=O)CCc1cccnc1)c1ccccc1 134045851 MQOFTYVJOXEYJK-GOSISDBHSA-N 294.398 3.838 30 20 CHED CC(C)(C#N)c1ccccc1CN1C[C@H]2CCC[C@H]2C1 135284747 BZONOMAAZCHXHQ-GASCZTMLSA-N 268.404 3.720 30 20 CHED C=C[C@H](CC(=O)N1C[C@@H](C)S[C@H](C)C1)c1ccccc1 136234058 KMIKJWCWIAUCTA-RBSFLKMASA-N 289.444 3.699 30 20 CHED C=CCCOCC(=O)N[C@H](CC)c1cccc(Cl)c1 146783903 QNSCXWMXPPGGAR-CQSZACIVSA-N 281.783 3.500 30 20 CHED C#Cc1cccc(NC(=O)Nc2ccc(F)c(F)c2)c1 152774176 FKTLMEXYRWZIAT-UHFFFAOYSA-N 272.254 3.590 30 20 CHED C#CCCCCNC(=O)[C@H](c1cccc(Cl)c1)C(C)C 155929238 DYSJCOMFWOUJSZ-INIZCTEOSA-N 291.822 3.999 30 20 CHED CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(C#N)c1 156188208 TTXQDNPRSWAWOF-MRXNPFEDSA-N 286.375 3.625 30 20 CHED CCN(C(=O)c1cccs1)c1ccc(C#N)c(Cl)c1 156535477 BRDMFZAGPRYJJE-UHFFFAOYSA-N 290.775 3.940 30 20 CHED C[C@H](CNc1c(C#N)cnc2ccccc12)C1CC1 158658112 CKVOSBCCPZYMEK-LLVKDONJSA-N 251.333 3.564 30 20 CHED C=C(C)CNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 161264934 PGOOLUCGGATREU-LBPRGKRZSA-N 265.784 3.601 30 20 CHED CCCc1nc(CSCCCC(C)(C)C#N)no1 161626857 SSZZAOOVKFAYTQ-UHFFFAOYSA-N 267.398 3.585 30 20 CHED C=CCCCOc1cccc(NC(=O)c2ccco2)c1 174161442 KGFKBONBWMIROD-UHFFFAOYSA-N 271.316 3.877 30 20 CHED CCC(CC)NCC#Cc1ccc(C(F)(F)F)cc1 176986474 IQJQEJVWLMZZOT-UHFFFAOYSA-N 269.310 3.835 30 20 CHED CSc1ccc(C)c(C(=O)O[C@H]2CC[C@@H](C#N)C2)c1 179861010 LXMBCLSFSRRVGF-NEPJUHHUSA-N 275.373 3.566 30 20 CHED C=C(C)CN(C)C(=O)CCCc1cc(C)sc1C 180466893 AWDOAVWEDBYLQN-UHFFFAOYSA-N 265.422 3.722 30 20 CHED CCN(Cc1ccc(C(F)F)cc1)C[C@H](C)C#N 183932592 ZPWBEMGBMBFHOG-LLVKDONJSA-N 252.308 3.606 30 20 CHED CCOc1c(Cl)cc(CN[C@@H](CC)CC#N)cc1OC 184090058 KLHDUTONYFHKSK-LBPRGKRZSA-N 296.798 3.529 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 188474547 LABMIIFHYZJJTK-KBXCAEBGSA-N 297.402 3.652 30 20 CHED COCCC1(CN[C@H]2CCC[C@@H](C#N)C2)CCCCC1 193308957 ITYJKUMFMKIFTP-CVEARBPZSA-N 278.440 3.645 30 20 CHED C[C@@H](Oc1cccc(F)c1F)c1cccc(C#N)c1 194629042 AHXUOCYHVSCNCR-SNVBAGLBSA-N 259.255 3.976 30 20 CHED CCC1(CC)CCN(Cc2cccc(C#N)c2F)C1 223557582 DPJBXQPBEVSDLK-UHFFFAOYSA-N 260.356 3.709 30 20 CHED COc1ccc(CN2CCC[C@H]3CCCC[C@H]32)cc1C#N 226108153 GJJSGEFJHOTJJI-NVXWUHKLSA-N 284.403 3.721 30 20 CHED N#Cc1ccc(NC(=O)c2c(F)cccc2F)c(Cl)c1 226348171 ZNFAOCJOXZKXOS-UHFFFAOYSA-N 292.672 3.742 30 20 CHED C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(F)c(C#N)c1 229748215 MGJGAOMNACSAIJ-WBMJQRKESA-N 260.356 3.708 30 20 CHED C=CCc1cc(CNC(C)(C)CCC)cc(OC)c1O 236766529 XBSKAIOTRIUYQF-UHFFFAOYSA-N 277.408 3.798 30 20 CHED C#CCCOc1ccc(CN[C@H](C)CCSCC)cc1 237104960 KQXYGVWDGKEYIN-OAHLLOKOSA-N 291.460 3.710 30 20 CHED N#Cc1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 245681904 HMPWKFUPGUVFSY-FGTMMUONSA-N 296.414 3.781 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H](O)c2ccc3ccccc3c2)C1 248757405 CWDFJMBUSKUYLE-CCKFTAQKSA-N 294.398 3.545 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(C(C)(C)C)no1 248808253 BXSVNCSJYVOAEC-QJPTWQEYSA-N 265.401 3.618 30 20 CHED Cc1ccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)o1 255068700 ONTNSMQQSBSDQH-ARJAWSKDSA-N 266.218 3.901 30 20 CHED CCOC(=O)c1sc(/C=C\c2ccc(C#N)cc2)nc1C 255123559 DDZLOJVKZBMEFN-HJWRWDBZSA-N 298.367 3.670 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1OC)C2 255470416 LWIUXCIQRYDOQE-GXDHUFHOSA-N 280.323 3.526 30 20 CHED CSCCCCC(=O)N(CCC#N)c1ccc(C)cc1 265803073 NVMGEJICNRHDOQ-UHFFFAOYSA-N 290.432 3.775 30 20 CHED CCN(CCC#N)C(=O)Nc1cccc(C(C)C)c1 266980571 SMNOTVAYUCVUCC-UHFFFAOYSA-N 259.353 3.577 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(c2ccc(O)cc2)CC1 268383866 ZILGYMPCCJRQCF-UHFFFAOYSA-N 299.414 3.867 30 20 CHED C=CCCO[C@@H](C)c1nc(Cc2ccccc2C)no1 273735248 OAGDJZGOKHIXHV-ZDUSSCGKSA-N 272.348 3.623 30 20 CHED CSc1ccc(C)c(C(=O)N[C@](C)(C#N)C(C)(C)C)c1 274330564 MEGRLNSNDOUCQC-MRXNPFEDSA-N 290.432 3.775 30 20 CHED C=CCCN(C)Cc1ncc(-c2ccc(C)cc2)o1 276445454 OXYWFWKSVUGFTN-UHFFFAOYSA-N 256.349 3.658 30 20 CHED CC(C)N(CC(F)F)C(=O)c1ccc(C(C)(C)C#N)cc1 280054521 WJLMNPCSVQMYJA-UHFFFAOYSA-N 294.345 3.603 30 20 CHED CCSCc1ccccc1C(=O)N[C@H](C#N)C(C)(C)C 280579709 WNXMSOQURSFOCU-CQSZACIVSA-N 290.432 3.608 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(OC(C)C)c1 280670839 PULTUHGJHDRACI-AEFFLSMTSA-N 289.419 3.545 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1NC(C)(C)C 281378805 NOMYHPPQFSWUDP-UHFFFAOYSA-N 273.380 3.775 30 20 CHED C=CCOCCCC(=O)N[C@H](C)c1ccccc1SC 281797473 PNIJEUHBVCDTDG-CYBMUJFWSA-N 293.432 3.569 30 20 CHED CN(c1cccnc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 291145466 OKUHOHNUYJCAPW-PHIMTYICSA-N 283.297 3.511 30 20 CHED CC1(C)CCc2ccccc2[C@@H]1NC(=O)CCCC#N 291981901 UVADNCFPXDYHJV-INIZCTEOSA-N 270.376 3.510 30 20 CHED CC(C)c1cccc(N/C(N)=N/CC2CC(F)(F)C2)c1 291996683 XAUOLASINZEQKP-UHFFFAOYSA-N 281.350 3.582 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCCCC1(F)F 295432537 NNAUKOWPQNBNEK-ZDUSSCGKSA-N 271.351 3.697 30 20 CHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1CCCSCC#N 296532009 AZIFSVYDNHCCFT-HLLBOEOZSA-N 288.460 3.900 30 20 CHED CC1(C)C[C@H](Nc2c(F)cc(C#N)cc2F)C(C)(C)O1 302022836 FPNAJMBEOLLUIX-LBPRGKRZSA-N 280.318 3.594 30 20 CHED CC(C)(O)COc1ccc(Oc2ccc(C#N)cc2)cc1 305300491 JIBKQKMTDKUOBR-UHFFFAOYSA-N 283.327 3.500 30 20 CHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(OCC#N)cc1 308086777 JRIPLPBKXQYURK-ZDUSSCGKSA-N 274.364 3.600 30 20 CHED Cc1nc(NC[C@@]2(C)CCCS2)c(Cl)cc1C#N 310735114 GEMARKDPWIAYPM-CYBMUJFWSA-N 281.812 3.613 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)o1 313571049 RHKMECUULBMFRN-UHFFFAOYSA-N 294.282 3.718 30 20 CHED OC(=Nc1cccc(-c2cnn[nH]2)c1)C1CCCCC1 329574679 JRRHXJWTKBSTRY-UHFFFAOYSA-N 270.336 3.640 30 20 CHED CC1(C)CCC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 329827143 IXRVPZKUXVOMKY-MRXNPFEDSA-N 296.414 3.940 30 20 CHED CC1(C)C(O)=Nc2ccc(/C(O)=N/C3CC(F)(F)C3)cc21 330306735 RQYFFBYMABQUDF-UHFFFAOYSA-N 294.301 3.668 30 20 CHED C[C@@H](C#N)/N=C(/O)c1cccc(OC2CCCCC2)c1 330621080 LNEIHESDFVXWLV-LBPRGKRZSA-N 272.348 3.615 30 20 CHED Cc1ccc(N/C(O)=N/C2(CCO)CCCCC2)cc1C 331042935 FDJBEPWYWMAMHS-UHFFFAOYSA-N 290.407 3.715 30 20 CHED CCC(CC)[C@@H]1C[C@H](N/C(O)=N/[C@@H]2CC[C@H](C)C2)CCO1 331241501 XTFMDSLMQYLUFU-XZDPQHSOSA-N 296.455 3.662 30 20 CHED N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 332196275 WEOSIYXAWSHBSJ-RWMBFGLXSA-N 288.416 3.708 30 20 CHED N#C[C@@H]1CC[C@H](N2CCC(c3ncccc3Cl)CC2)C1 334366621 JHUPCYGTBHYVON-OCCSQVGLSA-N 289.810 3.607 30 20 CHED Cc1ccc(C2CC(N[C@@H]3CC[C@H](C#N)C3)C2)cc1 335250300 VCZBPQOEIAZBHW-MHABSNSOSA-N 254.377 3.523 30 20 CHED C=CC[C@@H]1N(C(=O)Nc2ncc(C)o2)CCCC1(C)C 335819478 WTUIWLMXHWPXSH-LBPRGKRZSA-N 277.368 3.582 30 20 CHED C[C@@H]1Cc2ccccc2CN1CCCC1(C#N)CCOCC1 337197231 WZHAQMDGLAKSDT-MRXNPFEDSA-N 298.430 3.534 30 20 CHED C=CCC[C@@H](NC(=O)[C@@H]1CC1(C)C)c1ccccc1 337481263 VXHVRUSQJBLLNY-LSDHHAIUSA-N 257.377 3.856 30 20 CHED C=CCCC(=O)N1CC2(CCC2)c2c(F)cccc21 338655868 ZUCFTEIHHJPJRX-UHFFFAOYSA-N 259.324 3.560 30 20 CHED C=CCC[C@@H](NCc1cc(C)nn1C)c1ccccc1 342808245 AMFNDHGTRNNUHP-QGZVFWFLSA-N 269.392 3.526 30 20 CHED C=CC[C@@H](CO)CN[C@H](CC(C)(C)C)c1ccccc1 344296719 AAJFZKSBZYKRDT-NVXWUHKLSA-N 275.436 3.938 30 20 CHED C=CCn1cccc1-c1nc([C@@H](C)C(C)(C)C)no1 346583952 QFZMYEATKLGFLR-LLVKDONJSA-N 259.353 3.874 30 20 CHED N#Cc1csc(CN(Cc2ccc(O)cc2)CC2CC2)c1 349034428 DASCAVSEVWMBCB-UHFFFAOYSA-N 298.411 3.738 30 20 CHED CCN(Cc1cccc(Cl)c1)C(=O)[C@](C)(C#N)CC 349148380 PEOLJMBBLAUYHQ-HNNXBMFYSA-N 278.783 3.628 30 20 CHED N#CC[C@@H](CC(=O)N1CCc2ccccc21)c1ccccc1 353354412 MLXWJFDABMAVRG-KRWDZBQOSA-N 290.366 3.663 30 20 CHED CC(C)CN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC1 354321113 WMHMHLCARNTMTN-MRXNPFEDSA-N 284.403 3.721 30 20 CHED C=CCCC1(C(=O)Nc2ccc3ccccc3n2)CC1 354602457 UEUZTJOEQOTIHH-UHFFFAOYSA-N 266.344 3.920 30 20 CHED CC(C)Oc1c(F)cc(NC(=O)CC(C)(C)C#N)cc1F 355924325 YZXHJTSBCRVEDA-UHFFFAOYSA-N 296.317 3.630 30 20 CHED C=CCCN(C)C(=O)C[C@H](c1cccs1)n1cccc1 357010653 MNVLNEWTQZLPSV-CQSZACIVSA-N 288.416 3.564 30 20 CHED C=CCCC1(C(=O)Nc2cnn([C@H](C)CC)c2C)CC1 357050228 NZBWSUKPPJLCHL-GFCCVEGCSA-N 275.396 3.847 30 20 CHED CCO[C@H]1C[C@@H](Nc2nc(C)cc(C)c2C#N)C12CCCC2 361236673 LCRRFNYRQYTLQW-CVEARBPZSA-N 299.418 3.720 30 20 CHED C=CCCC1(C(=O)Nc2ncc(C(F)(F)F)s2)CC1 361835832 BRMPUMAGUHLCCF-UHFFFAOYSA-N 290.310 3.847 30 20 CHED CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(-n2cccc2)cc1 361954971 YSUUNXUDBKDEOL-SFHVURJKSA-N 295.386 3.535 30 20 CHED C=C[C@H](CC(=O)N1CC[C@H](C2CC2)C1)c1ccccc1 362684949 JQTGFAOWJCLOFI-PBHICJAKSA-N 269.388 3.605 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@H](C)[C@@H](C)C1 362830188 ZPGQGHDDXSCAMF-STQMWFEESA-N 275.417 3.693 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC23CCCC3)cc1F 404702370 ZJBGEOHHBAMEEN-MRXNPFEDSA-N 272.367 3.900 30 20 CHED C=CCC1(NC(=O)c2c(CC)noc2C)CCCCC1 411072270 SEOMMKRZKQQOJX-UHFFFAOYSA-N 276.380 3.554 30 20 CHED CC[C@H]1CCCN(c2cc(C(F)(F)F)cnc2C#N)C1 413096580 QOYIORDOKWZTJK-JTQLQIEISA-N 283.297 3.598 30 20 CHED CC(C)(C)c1ccncc1CN[C@@H]1CCC[C@H](C#N)C1 414234987 TUORTOBZJMGAIL-DZGCQCFKSA-N 271.408 3.551 30 20 CHED Cc1cc(CSCC2(C#N)CCC2)ccc1C#N 419574384 CBSCUZKAJXZZCY-UHFFFAOYSA-N 256.374 3.794 30 20 CHED C=CCC[C@@H](NC[C@@H]1NCCc2ccccc21)c1ccco1 423445458 YHDOPOSPPQEXCB-MSOLQXFVSA-N 296.414 3.764 30 20 CHED C[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C1 429573272 YTSAYGHJTQMUBD-BXUZGUMPSA-N 262.784 3.832 30 20 CHED C[C@H]1C[C@@H](CC(=O)NCC2(CC#N)CC2)CC(C)(C)C1 431183815 YTFOWJKQLWHRMQ-KBPBESRZSA-N 276.424 3.649 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CCC(C)C 431735667 KMHYEZWKJDAOQW-LBPRGKRZSA-N 273.380 3.813 30 20 CHED CC(C)c1cc(N(C)CC(C)(C)C#N)nc(C(C)C)n1 432148166 KAKCRSRPPDHXSJ-UHFFFAOYSA-N 274.412 3.709 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(Cl)c1Cl 432748066 RLTWOQDMDHUJQS-SSDOTTSWSA-N 263.193 3.789 30 20 CHED CCN(C[C@H](C)C#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 437581389 PIHJQNGFLABWMO-NXHRZFHOSA-N 270.420 3.978 30 20 CHED C=CCCCC(=O)N(CCC(F)(F)F)CC1CC1 438167133 PWBHZKMLLXBSLI-UHFFFAOYSA-N 263.303 3.534 30 20 CHED Cc1cc(CN[C@@H]2CCc3ccccc32)ccc1C#N 443964138 IXFLFCIBCXWMLA-GOSISDBHSA-N 262.356 3.644 30 20 CHED CC[C@@H](NCC1(OC)CCCCC1)c1ccc(C#N)cc1 447594789 IMPLNTRZQKHHDJ-QGZVFWFLSA-N 286.419 3.948 30 20 CHED CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 448667434 XMJVBUQONZQZOS-KBRIMQKVSA-N 284.403 3.952 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 450120364 YOQPOOJSBQCKET-UHFFFAOYSA-N 259.349 3.551 30 20 CHED N#Cc1c(Cl)cccc1NCc1cnc(C2CC2)o1 450916181 QWVZIOLSGCQVHW-UHFFFAOYSA-N 273.723 3.689 30 20 CHED C=C[C@@H]1OCC[C@H]1NCc1c(C)ccc2ccccc12 451610119 XJQLUBMWCXDCTP-MSOLQXFVSA-N 267.372 3.581 30 20 CHED C[C@@H]1C[C@@H](CNc2ccc(CC#N)cc2Cl)CCO1 453140171 XPNKFZROZPOBDI-YPMHNXCESA-N 278.783 3.633 30 20 CHED C=CCC[C@H](CO)N[C@@H](CC)c1ccccc1OC(F)F 453377546 XXAHWTCBQGOHAN-OCCSQVGLSA-N 299.361 3.656 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CCC[C@]2(CCSC2)C1 454812128 PMFPZDLDMRAFGM-HOCLYGCPSA-N 296.480 3.660 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)[C@@H](C#N)CCc1ccccc1 457184092 BIPKGXWFJBXSIQ-GDBMZVCRSA-N 286.419 3.700 30 20 CHED CCC[C@@]1(C)CCCN(C(=O)NCC(C)(C)CC#N)C1 459260543 QQHAINJZLRFONA-INIZCTEOSA-N 279.428 3.538 30 20 CHED CC[C@H](C)[C@H]1CCCCN1C(=O)NCC(C)(C)CC#N 459263084 WSNSFPCKOSOCHZ-UONOGXRCSA-N 279.428 3.536 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 462218634 ILNBTXYSSHTAHO-XEZPLFJOSA-N 272.392 3.574 30 20 CHED C=CC1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 463836608 NCRHXIKWYPBVMD-QGZVFWFLSA-N 271.404 3.851 30 20 CHED C[C@@H](Sc1ccccc1)C(=O)N[C@@](C)(C#N)C(C)(C)C 464157531 FFOXKWBZHKWHLL-WBMJQRKESA-N 290.432 3.612 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCN(C)c2ccc(Cl)cc21 467990896 RHBFMWDXPVPLPS-MRXNPFEDSA-N 292.810 3.725 30 20 CHED C=CC[C@@H]1N(C(=O)c2scnc2CC)CCCC1(C)C 470290697 WOKDCTZTLZZGEE-ZDUSSCGKSA-N 292.448 3.912 30 20 CHED C=CCCCCNC(=O)N1CCC[C@H]1[C@H](C)CCC 472835806 AAESRJVFSHSIJR-CABCVRRESA-N 266.429 3.953 30 20 CHED C=CCCCCNC(=O)NCCc1c[nH]c2c(C)cccc12 472845871 ANRRBYGHDZORRW-UHFFFAOYSA-N 299.418 3.674 30 20 CHED CCC[C@@H](CC)SCC(=O)N(C)C1(C#N)CCCCC1 477075081 GNRYSTXUAGYZHW-CQSZACIVSA-N 296.480 3.983 30 20 CHED C=C(C)CN(Cc1ccccc1)c1ncncc1Cl 480562713 YIEHGIHHCSYTTQ-UHFFFAOYSA-N 273.767 3.713 30 20 CHED C=C(C)CN(C)Cc1cccc(Br)c1C 481289923 VLSNNRVNRLBKFN-UHFFFAOYSA-N 268.198 3.765 30 20 CHED N#Cc1ccc(SCCCc2cccc(F)c2)nc1 483970952 GMGQLKJJDOAREG-UHFFFAOYSA-N 272.348 3.817 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(C#N)s1 487037141 KPEQKMYQYSNWBB-JTQLQIEISA-N 264.394 3.564 30 20 CHED Cc1cc(CNC2(c3ccccc3F)CC2)ccc1C#N 488125609 FXMLBGYMULOGGI-UHFFFAOYSA-N 280.346 3.785 30 20 CHED C=C(C)CNC(=O)N1CC=C(c2ccc(CC)cc2)CC1 488565715 XGPQDPVEZKKQLZ-UHFFFAOYSA-N 284.403 3.624 30 20 CHED C=C[C@@H]1CCCCN1Cc1nc2ccc(F)cc2o1 489487011 ZQNROMHNBIIDAW-GFCCVEGCSA-N 260.312 3.507 30 20 CHED C=CCn1cccc1C(=O)NC(C)(C)CC(C)(C)C 490064827 IPUPCKKBFPEERH-UHFFFAOYSA-N 262.397 3.619 30 20 CHED CC[C@H]1CCCN1Cc1cc(C#N)ccc1Br 492764322 CBSZDLYUZKRUSO-ZDUSSCGKSA-N 293.208 3.695 30 20 CHED C=CCN(C)CCCCOc1ccccc1C(F)(F)F 494674887 XUFRECBSTYXVHU-UHFFFAOYSA-N 287.325 3.982 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(OC)cc1 495157711 OZSWPAYBPQEBJE-ZFWWWQNUSA-N 288.391 3.506 30 20 CHED CCC(C)(C)c1ccc(Cn2ccc(C)c(C#N)c2=O)cc1 505526574 OCZAQMZUUXIJJW-UHFFFAOYSA-N 294.398 3.764 30 20 CHED Cc1ccc(C)c(N(C)C(=O)c2cccc(C#N)c2C)c1 509552117 ISYQIGHCWDGJPM-UHFFFAOYSA-N 278.355 3.760 30 20 CHED Cc1c(C#N)cccc1C(=O)N(CC1CC1)c1ccccc1 510211519 OUXKRTDCXJUTKU-UHFFFAOYSA-N 290.366 3.924 30 20 CHED C=C(C)CN(CC)C(=O)CSCc1cc(C)cc(C)c1 514644155 OYKBRVKQLLGAGP-UHFFFAOYSA-N 291.460 3.961 30 20 CHED COc1ccc(C[C@@H](C)CNc2cc(C)nc(C#N)c2)cc1 517766582 CCFMPRNQTOAVFS-CYBMUJFWSA-N 295.386 3.561 30 20 CHED C=CC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C 523963103 XLZFLNKSFNZCCJ-HUUCEWRRSA-N 289.419 3.967 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1ccccc1C 529199502 PPCKGJXDSCCLKY-DOTOQJQBSA-N 271.404 3.741 30 20 CHED COCc1ccc(NC[C@@H](OC)c2ccccc2)cc1C#N 530121187 KYWVTEOUYCUMTM-GOSISDBHSA-N 296.370 3.504 30 20 CHED N#Cc1ccc(Cl)cc1N1CCC[C@@H]1c1ccccn1 530669247 ACPJQHXQDQKWBD-OAHLLOKOSA-N 283.762 3.948 30 20 CHED COc1ccc(C#N)cc1CNc1cccc2c1ccn2C 532500157 VZBOWBISYMSYQL-UHFFFAOYSA-N 291.354 3.671 30 20 CHED C[C@H](SC[C@@H]1CCCOC1)c1ccc(C#N)cc1 532879569 ZQZNEVVRLPMCGN-GXTWGEPZSA-N 261.390 3.779 30 20 CHED Cc1cn(Cc2cccc(OC(C)C)c2)cc1C#N 533228423 LFTXJTDWWWNRIZ-UHFFFAOYSA-N 254.333 3.504 30 20 CHED CCOc1ccccc1COc1cccc(F)c1C#N 534400579 PFIZBLNKFLETNG-UHFFFAOYSA-N 271.291 3.675 30 20 CHED CCc1ccccc1NCc1cccc(C(=O)OC)c1C#N 535138092 MPRBVRHKBUOHDV-UHFFFAOYSA-N 294.354 3.519 30 20 CHED CCN(Cc1ccccc1Cl)C(=O)C1(C#N)CC(C)C1 535717686 YHFGFWZEXAGXRF-UHFFFAOYSA-N 290.794 3.628 30 20 CHED C=CCC[C@@H](O)CN1CCC(=Cc2cccc(F)c2)CC1 535757911 UIANYXPKEDJDIS-GOSISDBHSA-N 289.394 3.632 30 20 CHED CC(C)(NCCOc1ccccc1C#N)c1cccc(F)c1 537086618 CWFNZENNKVDUKO-UHFFFAOYSA-N 298.361 3.601 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cc(F)cc(F)c1OC 537528029 BCULAMCUENGCDV-UWVGGRQHSA-N 255.308 3.986 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](CC)OC1CCCCC1 538334250 SBXCHRHUXVZQRO-GOEBONIOSA-N 281.440 3.975 30 20 CHED CCC[C@]1(C)CCCN(c2nccc(C)c2C#N)C1 544069071 LUMQQORPMCQWIS-MRXNPFEDSA-N 257.381 3.668 30 20 CHED CC[C@@H]1CN(CCC(C)(C)C#N)CCN1Cc1ccccc1 545395529 MBAGWPLBNVWOCL-GOSISDBHSA-N 299.462 3.523 30 20 CHED CC1(C)CCCN(Cc2ccc(Cl)cc2)[C@H]1C#N 554260455 UFQYYMTUZCBTQC-AWEZNQCLSA-N 262.784 3.854 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc3cc[nH]c3c2)no1 556285222 PCFPEDZGSMGRDM-UHFFFAOYSA-N 275.258 3.886 30 20 CHED CN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)CCCCC1 562248203 UVPAFUVWTBBTOO-UHFFFAOYSA-N 299.418 3.670 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(C(C)(C)C)s1 563677016 NNXASKNPKLWEMI-UHFFFAOYSA-N 266.410 3.981 30 20 CHED CCC[C@@H](C#N)NC(=O)C(CC(C)C)CC(C)C 565931519 MXZJORUTQYOKPL-AWEZNQCLSA-N 252.402 3.503 30 20 CHED C[C@]1(C(=O)N[C@H](C#N)C2CCCCC2)C[C@@H]1c1ccccc1 578845582 KGNLSAWGJAMIOM-LMMKCTJWSA-N 296.414 3.769 30 20 CHED CCC(CC)Oc1ccc(C(=O)N[C@@](C)(C#N)CC)cc1 579074580 OOUZWZVIAUNSIX-QGZVFWFLSA-N 288.391 3.676 30 20 CHED N#CCC[C@H](C#N)CNC[C@H]1CCCC[C@H]1c1ccccc1 581300593 WEVMWXZLVZYPJA-QRQLOZEOSA-N 295.430 3.994 30 20 CHED C=CCN(CCC(C)(C)CC(=O)O)CC1CCCCC1 581553656 ZGPUSDWQTQQAIF-UHFFFAOYSA-N 281.440 3.946 30 20 CHED C[C@@H]1C[C@@H](NCCc2cccc(C#N)c2)c2ccccc21 583225687 APYLHLCRYVVQEC-AUUYWEPGSA-N 276.383 3.939 30 20 CHED CC1=C(C)C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC1 583753678 CNQIARIMPPYRFJ-HNNXBMFYSA-N 268.360 3.828 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC[C@H](C#N)CCC#N 583867353 DERAXYDUADJZTQ-KBPBESRZSA-N 298.415 3.936 30 20 CHED Cc1cc(SC[C@H]2CCCC[C@@H]2O)ccc1C#N 584052806 HFORCPALIFNOKG-HIFRSBDPSA-N 261.390 3.510 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccccc1Cn1ccnc1 584746808 NGBSMCBEUCLTKM-HOTGVXAUSA-N 283.419 3.622 30 20 CHED N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H]2C[C@H]21 588066050 HLPKKJWEQAZZDT-MEBBXXQBSA-N 283.762 3.749 30 20 CHED COCCC(C)(C)C/N=C\c1cc(Cl)ccc1O 588451426 OVRQFXYJDOJTHO-SXGWCWSVSA-N 269.772 3.527 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(-c2ccc(F)cc2)o1 588594940 HBCCMXYJXVNYPD-VURMDHGXSA-N 296.301 3.715 30 20 CHED CCC(CC)[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)N(C)C 589336493 LJXHCABDLVEVOH-MOPGFXCFSA-N 299.462 3.502 30 20 CHED C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccsc1 589344251 VQDOHOFGSZQJOD-ZBEGNZNMSA-N 268.385 3.958 30 20 CHED CC[C@@H](CC(C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1 590672869 DRXQPUIHXBWLLM-ZFWWWQNUSA-N 272.392 3.808 30 20 CHED C[C@@H](NCc1ccnc(C#N)c1)c1cccc(C2CC2)c1 590745410 FMLMBGSOAJQPQS-CYBMUJFWSA-N 277.371 3.681 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1ccncc1C#N 592096726 CWPJHQJVSQZMPS-XOKHGSTOSA-N 271.408 3.504 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc(CC#N)c1 592638051 RRFGSYYGNXELOC-DZGCQCFKSA-N 270.376 3.763 30 20 CHED CC(C)O[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 593055744 OFUWXEWCGDFVRW-YOEHRIQHSA-N 272.392 3.509 30 20 CHED N#CCC1(COc2cccc(-c3nccs3)c2)CC1 596278878 JVSSJNRXFUBBNO-UHFFFAOYSA-N 270.357 3.883 30 20 CHED C=CCN(CCC#N)C(=O)Nc1nc(C(C)C)c(C)s1 596970546 PTEPFDBRYVGWJW-UHFFFAOYSA-N 292.408 3.509 30 20 CHED C[C@H](CCC#N)CN[C@@H](CN1CCCCC1)c1ccccc1 602534684 JCUCJRYIDAJREB-MJGOQNOKSA-N 299.462 3.743 30 20 CHED Cc1ncn(-c2ccc(NC[C@@H](C)CCC#N)cc2)c1C 602676262 KVHYFAXULBQAJZ-ZDUSSCGKSA-N 282.391 3.841 30 20 CHED C[C@H](NCC1(CC#N)CC1)c1c(F)cccc1Cl 602807654 ZRFNIUAWMAQHDI-JTQLQIEISA-N 266.747 3.824 30 20 CHED CCN(Cc1ccc(CC#N)cc1)[C@H](C)C(F)(F)F 602989377 NGGVJPLYBCSQJN-LLVKDONJSA-N 270.298 3.525 30 20 CHED N#C[C@@H](Cc1ccccc1)Sc1ccc2c(c1)OCCO2 603452830 MXDGASCKKOOKMG-OAHLLOKOSA-N 297.379 3.685 30 20 CHED CC1(C)CN(C(=O)c2sccc2C#N)[C@H]1c1ccccc1 604524399 QUXPPRZXVDZKQE-HNNXBMFYSA-N 296.395 3.843 30 20 CHED N#Cc1nc(N[C@H]2CSc3ccccc32)ccc1Cl 609797638 INZFAVJTXYYRBC-LBPRGKRZSA-N 287.775 3.866 30 20 CHED C=CCCCSCC(=O)Nc1ccc(OC)c(Cl)c1 609805068 OYNHUTZLIJWNND-UHFFFAOYSA-N 299.823 3.987 30 20 CHED C[C@H]1CCCN(c2c(C#N)cnc3c(F)ccc(F)c23)C1 610245037 BYOKPAJRQODGNZ-JTQLQIEISA-N 287.313 3.621 30 20 CHED CCC(=O)Nc1cccc(CNc2ccc(F)cc2C#N)c1 610273857 SCIXYCZDANCZQX-UHFFFAOYSA-N 297.333 3.658 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1Nc1cccc(F)c1C#N 610280183 FOTHGGYYHZYVCD-DLBZAZTESA-N 266.319 3.839 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1nc2c(cc1C#N)CCC2 610280471 QXUUNQBXJDPONN-MJGOQNOKSA-N 289.382 3.584 30 20 CHED CC[C@@H](C#N)SCc1ccc(Br)cc1 614797280 MJSGAIITMRRRDS-NSHDSACASA-N 270.195 3.984 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc3c2CCC3)C1 617786287 WMBUEDWTYHJUQZ-AWEZNQCLSA-N 269.388 3.604 30 20 CHED CCC(C)(C)N(C)C(=O)NCc1ccc(C#N)c(Cl)c1 619753389 ZUQQMQZSKYBDNK-UHFFFAOYSA-N 293.798 3.542 30 20 CHED Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1ccsc1 619789956 UJNKSLTUUZXTOE-NSHDSACASA-N 285.372 3.811 30 20 CHED C=CCN(C(=O)C1CCC(F)(F)CC1)C(C)(C)C 622944780 FKISNSCZIVLWGX-UHFFFAOYSA-N 259.340 3.625 30 20 CHED C=CCOCCOc1ccc2ccc(C(F)(F)F)nc2c1 642113255 QVAWDJIJYANYKV-UHFFFAOYSA-N 297.276 3.835 30 20 CHED C=CCC(C)(C)CNC(=O)c1cc2ccsc2[nH]1 644961254 WGRIRHUTFAIJGG-UHFFFAOYSA-N 262.378 3.562 30 20 CHED C=CCC(C)(C)CNC(=O)N1CCCc2sccc2C1 644970855 VPELUVWTFOGYIK-UHFFFAOYSA-N 292.448 3.808 30 20 CHED C=C(CC)Cn1cc(CSc2ccccc2OC)nn1 656453012 REDRPTFATCGNRM-UHFFFAOYSA-N 289.404 3.545 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc(C)c(C)s2)C1 661380987 SGXTWABGBDVZCX-CYBMUJFWSA-N 250.411 3.548 30 20 CHED C=CC[C@H]1CCCN(c2cc(C#N)ccc2C(C)=O)C1 664254415 CKTIZYHQVTYUBN-AWEZNQCLSA-N 268.360 3.553 30 20 CHED C=CCC1(NC(=O)Nc2ccc(OC)c(F)c2)CCCC1 665598889 QQBWIKJNHVDCRT-UHFFFAOYSA-N 292.354 3.845 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(F)c(OC)cc1F 666324943 YHZPXOQJABYKTI-UHFFFAOYSA-N 298.333 3.840 30 20 CHED C=C[C@H](C)NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 672464090 KSCKLYGXWQBGCM-LLLHUVSDSA-N 284.403 3.539 30 20 CHED C=C(CNC(=O)[C@H](C)c1cccc(C)c1)c1ccccc1 672479152 CBHGHEDPNAIQPE-MRXNPFEDSA-N 279.383 3.928 30 20 CHED C=C(Br)CN(CC)Cc1ccc(C)cc1 699511466 UJNKVQPOXZZQDJ-UHFFFAOYSA-N 268.198 3.726 30 20 CHED CC(=NOCc1ccc(CC(C)C)cc1)c1cnn(C)c1 725794088 IAJDLGAXBHNBOY-UHFFFAOYSA-N 285.391 3.559 30 20 CHED Cc1ccc(NN=Cc2ccc(O[C@@H](C)C#N)cc2)cc1 727687412 NEFWQYPIVGZYTL-AWEZNQCLSA-N 279.343 3.732 30 20 CHED COc1cccc(O)c1/C=N\C1CC(c2ccccc2)C1 728226142 JKMLBMOPGBNZFM-UNOMPAQXSA-N 281.355 3.766 30 20 CHED CN(Cc1ccc(OCC#N)cc1)[C@H]1CCc2ccccc21 729267394 UGFIZAPNRRMJIV-IBGZPJMESA-N 292.382 3.708 30 20 CHED N#Cc1ccc(-c2ccc(OC(=O)C(F)(F)F)cc2)cc1 729305372 QRSIFPZFJNJCLZ-UHFFFAOYSA-N 291.228 3.693 30 20 CHED CCON=C1c2ccc(Cl)c(Cl)c2O[C@@H]1C 729932065 BDDBAFIQTYNPSP-ZCFIWIBFSA-N 260.120 3.515 30 20 CHED CC(=O)c1ccc(OCc2ccc(OCC#N)cc2)c(F)c1 731158285 BEIWODVFJLCXJY-UHFFFAOYSA-N 299.301 3.510 30 20 CHED Cc1ccc(C)c(N(C)Cc2ccc(OCC#N)cc2)c1 731211237 BXTVGONGUUMJPK-UHFFFAOYSA-N 280.371 3.842 30 20 CHED C=CC1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 732206092 OVRSCSBSWHVSGK-HNNXBMFYSA-N 299.336 3.637 30 20 CHED C=C(C)CN(CC)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 733609570 DCLIPQXKMYVNIG-OAHLLOKOSA-N 296.455 3.532 30 20 CHED c1ccc2c(NN=C3C4CC5CC(C4)CC3C5)cnnc2c1 733750336 UZNYXEJOUBIZSO-UHFFFAOYSA-N 292.386 3.854 30 20 CHED C[C@H](SCc1ccccc1)C(=O)OCCCCC#N 733866702 KMFNNTLDVUTKLF-ZDUSSCGKSA-N 277.389 3.545 30 20 CHED CC(=NNc1ccc(C)nn1)C(C)(C)c1ccc(F)cc1 734979154 KNORBFXLAWNXCW-UHFFFAOYSA-N 286.354 3.690 30 20 CHED c1ccc2nc(NN=C3CCC[C@@H](C4CC4)C3)cnc2c1 737434672 OHJIRAXSXRPEOZ-CYBMUJFWSA-N 280.375 3.998 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@H](C)CCC 741641340 MRGVXYXPIRADBH-GFCCVEGCSA-N 277.339 3.603 30 20 CHED CCCCCCCC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 741644451 DBAPZCGSUUUJSM-BMFZPTHFSA-N 281.440 3.667 30 20 CHED C#CCOc1ccc(NC(=O)NC(CC)(CC)CC)cc1 743147393 PNQXCODYCNWKTQ-UHFFFAOYSA-N 288.391 3.789 30 20 CHED C[C@H]1CC(OC(=O)/C=C/c2ccccc2C#N)C[C@H](C)C1 744214811 MWLQOPZIGZRJGB-GODNBWANSA-N 283.371 3.939 30 20 CHED COc1ccc([C@H](C)/N=C/c2cccc(OC)c2O)cc1 745624118 FZPURLRNSASNRO-HWQJWEFDSA-N 285.343 3.590 30 20 CHED COCc1ccc(C=NNc2ccc(C(F)(F)F)cc2)o1 746579916 YLCBKDWBDJICQU-UHFFFAOYSA-N 298.264 3.891 30 20 CHED CC1=C(C(=O)O[C@H](C)c2ccc(C#N)cc2)CCC1 746921493 WMLWTUPTKFOVJQ-GFCCVEGCSA-N 255.317 3.663 30 20 CHED Cc1cccc([C@H]2CCCN2C(=O)C#Cc2ccccc2)c1 747212792 DQWRSJSHIRNGPX-LJQANCHMSA-N 289.378 3.710 30 20 CHED CC(C)CC1(C(=O)OCC(=O)c2cccc(C#N)c2)CCC1 748308557 ZHTYTSOIJZAPSW-UHFFFAOYSA-N 299.370 3.501 30 20 CHED C[C@@H]1C[C@H]1C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 748682952 IUPAJLVHQBMXLU-SJKOYZFVSA-N 293.322 3.912 30 20 CHED C#CCCCOC(=O)/C=C(\C)c1cccc(Cl)c1 750689961 QKNMBVKIJNWADO-ZRDIBKRKSA-N 262.736 3.700 30 20 CHED CC(C)CN(CCC#N)C(=O)/C=C\Sc1ccccc1 751382514 RXTGEWJBEFCLDJ-XFXZXTDPSA-N 288.416 3.691 30 20 CHED C#C[C@H](CC)Nc1nc(-c2cccnc2)nc2ccccc12 752928008 RQBIFXJLQTZTER-CQSZACIVSA-N 288.354 3.516 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccc(O)c(F)c1)C2=O 755592347 ZUBWVNRFXWHHNL-NTUHNPAUSA-N 268.287 3.662 30 20 CHED C=C(C)[C@@H](CC(=O)OC/C=C/c1ccccc1)OCC 756473616 SMMPAFRGVJFZIK-YCABEKBOSA-N 274.360 3.614 30 20 CHED C#CC[C@@H](NC(=O)Nc1ccc(Cl)cn1)c1ccccc1 756922685 WURAIBUDYFMACY-CQSZACIVSA-N 299.761 3.621 30 20 CHED CC1(CNC(=O)/C=C\c2ccccc2C#N)CCCCC1 757722427 LSRLEERZEXIRKG-KTKRTIGZSA-N 282.387 3.658 30 20 CHED CC1CC(C#N)(C(=O)N2CCC(C3CCCCC3)CC2)C1 758176569 SRFAEWZBRJAZAW-UHFFFAOYSA-N 288.435 3.745 30 20 CHED Cc1ncc(C(=O)OCCCCC#N)c(Cl)c1Cl 758506675 NLXJQPZXLBAOIN-UHFFFAOYSA-N 287.146 3.548 30 20 CHED C#CCCCCNC(=O)N(CCC)[C@@H]1CCc2ccccc21 758885528 HHMYRAZAWRPRGR-GOSISDBHSA-N 298.430 3.899 30 20 CHED Fc1c(Cl)cccc1C=NNCc1ccccc1 759647902 BQJGGFHMFXBQBH-UHFFFAOYSA-N 262.715 3.603 30 20 CHED CCC1(CC)C(=NNc2ncccc2Cl)C[C@H]1OC 762605125 UPZHMQQXAAIFOU-GFCCVEGCSA-N 281.787 3.728 30 20 CHED C#CCN(C(=O)N[C@H](c1ccccc1)C1CCCC1)C1CC1 764684090 LYCSNJUWLLMYRY-GOSISDBHSA-N 296.414 3.725 30 20 CHED Cn1nccc1C(=O)/C=C\c1ccc(F)c(Cl)c1Cl 766033356 FRPDIKCVRJNXPI-HYXAFXHYSA-N 299.132 3.762 30 20 CHED C#CCCCOC(=O)CCc1ccc(-c2ccccc2)[nH]1 766881942 JGCVGDUUUSJEIY-UHFFFAOYSA-N 281.355 3.571 30 20 CHED C#CCCCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 766906559 RMGHNOCQXKJJIM-HZPDHXFCSA-N 291.460 3.830 30 20 CHED COc1cccc(/C=N/[C@@H]2CCCc3sccc32)c1O 767335805 APXOFTNMILKTOG-VGSSETLESA-N 287.384 3.959 30 20 CHED C=CCNC(=S)NC1CCC(C)(c2ccccc2)CC1 767707525 PRCNKFHVWUYZKN-UHFFFAOYSA-N 288.460 3.537 30 20 CHED N#CC1(COC(=O)CCCc2ccc(Cl)cc2)CCC1 768096644 NFUSFBOFMRYCBL-UHFFFAOYSA-N 291.778 3.900 30 20 CHED CC[C@H](Cc1ccccc1)C(=O)Oc1ccc(C#N)cc1F 769738578 UTUMPJVBXOKPAH-OAHLLOKOSA-N 297.329 3.872 30 20 CHED COc1cccc(C=NNc2c(C)cccc2F)c1 769839280 BKCLKZJUQSQCKC-UHFFFAOYSA-N 258.296 3.589 30 20 CHED C=CCCCCNC(=O)/C=C\c1cnc(C(C)(C)C)s1 770082635 OCTFUWAJWSRDMW-KTKRTIGZSA-N 292.448 3.926 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccc(OCCC(C)C)cc1 770546445 SRZZZGUAKIUFMP-AWEZNQCLSA-N 288.391 3.597 30 20 CHED CC1=CCC[C@H](C)[C@H]1C=NNc1nccnc1C(C)C 773091088 MYOFICNYUMHKAH-KBPBESRZSA-N 272.396 3.990 30 20 CHED C#CCCCCC(=O)N1CCCC[C@@H]1c1ccccc1OC 773332964 ICVOCYZBRJYHCO-QGZVFWFLSA-N 299.414 3.942 30 20 CHED C[C@@H](OC(=O)[C@H]1CCc2c(Cl)cccc21)C(C)(C)C#N 776099409 PVOMNSSSVRPUSS-MFKMUULPSA-N 291.778 3.851 30 20 CHED O=C(/C=C\c1cccc(OC(F)F)c1)c1cscn1 776193126 WFZFRGHOPPIAQG-PLNGDYQASA-N 281.283 3.641 30 20 CHED CCOc1ccc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc1 776727171 ROWPQACKTURKBQ-BJMVGYQFSA-N 295.313 3.992 30 20 CHED Cc1ccc(NC(=O)Cc2ccccc2CC#N)c(Cl)c1 776728888 OWFCJSDCTNJIGC-UHFFFAOYSA-N 298.773 3.896 30 20 CHED CCc1ccc(C(C)=NNc2cc(Cl)ccn2)o1 777905301 DPLDSLIUBMNDCJ-UHFFFAOYSA-N 263.728 3.727 30 20 CHED Cc1ccc(F)cc1/C=C/C(=O)c1cccc(O)c1 777914832 MISZRGLMUQZONH-SOFGYWHQSA-N 256.276 3.736 30 20 CHED N#CCOc1cccc(NC/C=C\c2ccccc2)c1 779589150 XGDIELIVZNJNMP-YVMONPNESA-N 264.328 3.714 30 20 CHED CC(C[C@H](C)CC(C)C)=NNc1oc(C)nc1C#N 779770051 DHTPQBGPBOWEBQ-SNVBAGLBSA-N 262.357 3.715 30 20 CHED CC(=NNc1ncncc1Cl)c1cc(C)sc1C 780280750 SJXNYXMCOKUXHV-UHFFFAOYSA-N 280.784 3.644 30 20 CHED N#CC1(COC(=O)C[C@H]2CCc3ccccc3C2)CCCC1 780530946 XGJIWSLOZNCJEM-HNNXBMFYSA-N 297.398 3.809 30 20 CHED C#CCCCCC(=O)OCc1ccc(Cl)c(C)c1 781483933 YUIVBSUCFRJHGD-UHFFFAOYSA-N 264.752 3.885 30 20 CHED COCc1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1 782193718 HIQNZAPMZDNOTL-VOTSOKGWSA-N 287.746 3.778 30 20 CHED O=C(/C=C/c1ccc(Cl)cc1F)c1cc(O)ccc1O 782205878 BFLKYQWFTPXZKA-GORDUTHDSA-N 292.693 3.786 30 20 CHED CC(C)(C#N)CCCOC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 782231412 VCCAOOCBZYYCBW-LSDHHAIUSA-N 289.350 3.802 30 20 CHED Cc1ccc(C)c2c1CCC[C@@H]2NCc1ccc(C#N)cn1 783299753 FLLNGPNCFFBLFU-SFHVURJKSA-N 291.398 3.737 30 20 CHED CC(C)c1nc(C(=O)OCCCC(C)(C)C#N)cs1 783390430 VAHBQYCJKSYQLJ-UHFFFAOYSA-N 280.393 3.753 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NOCc1cccnc1 785457388 KRQRIYXRXIXELL-UHFFFAOYSA-N 294.276 3.960 30 20 CHED C=CCC[C@@H](CCC)Nc1ccc(OC)c(NC(N)=O)c1 787314093 ATPLEDZJQXHZDS-GFCCVEGCSA-N 291.395 3.733 30 20 CHED C#CCC1(C(=O)N2C[C@H](C)CC(C)(C)C2)CCCCC1 788251024 YXGSCLJLJNMVJE-OAHLLOKOSA-N 275.436 3.855 30 20 CHED C#CCSc1ccc(COC(=O)[C@@H](C)CC)cc1 788412397 VVUIYRXWGOQRTB-LBPRGKRZSA-N 262.374 3.501 30 20 CHED C#CCC1(C(=O)Nc2cc(C)ccc2O)CCCCC1 788521553 QKCYZDJWLHAJHE-UHFFFAOYSA-N 271.360 3.613 30 20 CHED O=C(/C=C/c1cnc(-c2ccco2)s1)c1ccncc1 789128452 TXGGQWUUYVJEAV-ONEGZZNKSA-N 282.324 3.694 30 20 CHED CC(=NNCc1cccc(Cl)c1Cl)c1ccccn1 790181627 SSAADSNFFAFOIT-UHFFFAOYSA-N 294.185 3.902 30 20 CHED CC[C@@H](C)NN=Cc1cc(Br)c(Cl)s1 790182783 GATCNNOVAAQQGJ-ZCFIWIBFSA-N 295.633 3.886 30 20 CHED CC(=NNc1ncccc1C)c1c(C)nn(C(C)C)c1C 790185552 FNTKPAGMRWUAQN-UHFFFAOYSA-N 285.395 3.620 30 20 CHED C#CCC1(C(=O)Nc2cc3c[nH]nc3cc2C)CCCCC1 791057479 WCSWJKZWPFYSHY-UHFFFAOYSA-N 295.386 3.784 30 20 CHED N#Cc1ccc(C(=O)N2CCCC3(CCCCCC3)C2)o1 794357920 TVYDLHJODDZFLH-UHFFFAOYSA-N 286.375 3.728 30 20 CHED CSCCON=Cc1c(Cl)cccc1N1CCCC1 794574499 GIZNBIDWAVTUAW-UHFFFAOYSA-N 298.839 3.654 30 20 CHED Cc1cc(/C=C\C(=O)c2ccnc(F)c2)cc2cccnc12 794719001 HUCGCJCEBNIBHW-PLNGDYQASA-N 292.313 3.973 30 20 CHED FCC[C@H]1CCCC1=NNc1ccc(F)cc1F 794857259 WMDZNSFRANBYDM-SECBINFHSA-N 256.271 3.892 30 20 CHED Cc1cc(Br)ccc1NN=C1CSC[C@H]1C 794903984 AXFJTRWJADQTON-SECBINFHSA-N 299.237 3.908 30 20 CHED Cc1ccc(C(=O)/C=C/c2cc(C(=O)O)c(C)cc2C)o1 794940017 VJWRYSFZVAGCRL-AATRIKPKSA-N 284.311 3.799 30 20 CHED Cc1cc(C)c(C=NNc2cccc(F)n2)c(C)c1 795009951 QFHVEACEDOPOKQ-UHFFFAOYSA-N 257.312 3.592 30 20 CHED C#CCOc1cccc(NC(=O)c2cc(C(C)C)oc2C)c1 796265677 KYWHJDXWVFIZEL-UHFFFAOYSA-N 297.354 3.976 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Oc1ccc(C#N)cc1F 796828507 ULHRGOVQJIORHJ-QWHCGFSZSA-N 275.323 3.819 30 20 CHED N#Cc1ccc(F)c(COC(=O)c2sccc2Cl)c1 797101488 VBIYDXDIWSJVKJ-UHFFFAOYSA-N 295.722 3.769 30 20 CHED C[C@@H]1CC(=NNCC(C)(C)CO)C[C@H](c2ccccc2)C1 799115591 GQIBCZVWCZSQOP-GOEBONIOSA-N 288.435 3.554 30 20 CHED COc1cccc(/C=C/C(=O)c2ccc(C)cc2O)c1F 799891169 ADNOUTDDCYMFLI-VQHVLOKHSA-N 286.302 3.744 30 20 CHED CSC1(C=NNc2ccc([N+](=O)[O-])cc2Cl)CCC1 800811850 LNQKKUAHMSXJFO-UHFFFAOYSA-N 299.783 3.932 30 20 CHED C=C(C)CCOC(=O)c1ccc(F)c(Cl)c1F 803417128 AUAMOPPFVHVTAC-UHFFFAOYSA-N 260.667 3.741 30 20 CHED C#CCOc1ccccc1-c1noc([C@@H]2C[C@]2(C)C(C)C)n1 809395621 OHNZGMOJYFKHCK-KBXCAEBGSA-N 296.370 3.898 30 20 CHED C#C[C@@H](CC)NCc1csc(-c2ccc(C)cc2)n1 809686513 XBZYPKGOVKLCSH-AWEZNQCLSA-N 270.401 3.620 30 20 CHED Cc1ccc2sc(C(=O)OC[C@H](C)C#N)cc2c1 810634419 IIEAYFCLVIPXLH-SNVBAGLBSA-N 259.330 3.526 30 20 CHED C=CCCCCOC(=O)[C@@H]1CCN(c2ccccc2F)C1 811013489 XGSOPVFRFJPYJD-CQSZACIVSA-N 291.366 3.552 30 20 CHED C=C1CCN(Cc2ccnc(Cl)c2Cl)CC1 811462424 XXKBMBNWFGQCKA-UHFFFAOYSA-N 257.164 3.540 30 20 CHED Fc1ccc(C(C[C@@H]2CCCO2)=NOC/C=C\Cl)cc1 811669503 PZIHRMUPJIEANN-POVNIFQDSA-N 297.757 3.868 30 20 CHED C=CCC[C@H](NC(=O)NOC/C=C/Cl)c1ccccc1 811896581 YKZLTGJGEGTHGT-OIOXUXFSSA-N 294.782 3.677 30 20 CHED C#C[C@@H](C)N(C)C(=O)N[C@H](C)c1csc2ccccc12 812033204 ZKCPOHNWYINWDB-VXGBXAGGSA-N 286.400 3.625 30 20 CHED COc1ccc(F)cc1C=NNc1c(C)cccc1F 812229633 FIFXGGCYMNDEKR-UHFFFAOYSA-N 276.286 3.728 30 20 CHED Cc1ccc([C@@H]2CCC[C@H]2OC(=O)CCCC#N)cc1 813069109 ZFFIQLRLZXJPFR-JKSUJKDBSA-N 271.360 3.868 30 20 CHED CCCCCC(C)(C)C(=O)N[C@H](C#N)C(C)(C)C 813283744 CNJQBTFCTXXGDM-GFCCVEGCSA-N 252.402 3.647 30 20 CHED Oc1cccc(C=NNc2ccc(F)cc2)c1Cl 814693309 IUCJMLQRASHSDU-UHFFFAOYSA-N 264.687 3.631 30 20 CHED CC(C)(C#N)[C@H]1CCCC1=NNc1ncnc2sccc12 814767657 OTOZBHSHGBIHLP-NSHDSACASA-N 299.403 3.809 30 20 CHED CC(C)CCC=Nn1c(S)nnc1-c1ccc(F)cc1 814783906 AXGJILIVVMEQRL-UHFFFAOYSA-N 292.383 3.643 30 20 CHED CCC(=NNCc1cccc2cccnc12)c1ccco1 814803317 CVBMBGLUHURWPX-UHFFFAOYSA-N 279.343 3.732 30 20 CHED CCCC(=NNc1ncccc1Cl)c1ccccn1 814810198 BTQMKDUURZHZBZ-UHFFFAOYSA-N 274.755 3.746 30 20 CHED Cc1cnccc1Sc1snc(Cl)c1C#N 814974445 SISIPMKKOJZWQW-UHFFFAOYSA-N 267.766 3.523 30 20 CHED C=CCOCCOC(=O)[C@@H](c1ccccc1)[C@H](C)CC 815168026 INZUQWZTWHHBMI-GDBMZVCRSA-N 276.376 3.562 30 20 CHED N#CC1(CSCC[C@H]2CC2(Cl)Cl)CCC1 818153040 HWYGCCVJHKSNBG-VIFPVBQESA-N 264.221 3.997 30 20 CHED C=C(C)C(C)(C)C(=O)OC[C@@H]1CCO[C@H]1c1ccccc1 820639074 WODQWPMYZGDJOG-HOTGVXAUSA-N 288.387 3.910 30 20 CHED O=C(/C=C/c1ccc2oncc2c1)c1ccc(F)cc1 821027020 BHKDNXCZWQVJSL-LREOWRDNSA-N 267.259 3.863 30 20 CHED CCC[C@H](CC)C(=O)N[C@H](CCC#N)c1ccccc1 821175844 IPAMIJHHYIRARI-GOEBONIOSA-N 272.392 3.974 30 20 CHED C#CCOc1ccc(CN[C@H](C)c2cccc(C)c2)cc1 825321281 BROQYEJERUNPTG-MRXNPFEDSA-N 279.383 3.858 30 20 CHED CCOC(=O)Nc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1C#N 825456230 SIJUMVFQXSBFDH-DIOULYMOSA-N 299.374 3.727 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2c[nH]c(C(=O)O)c2)cc1C 832876266 WRRMILHOMJPYBO-PLNGDYQASA-N 283.327 3.534 30 20 CHED CCn1nnc(C)c1/C=C/C(=O)c1cccc(CC(C)C)c1 834441706 RYYMGPPAVWDIDK-MDZDMXLPSA-N 297.402 3.701 30 20 CHED c1ccc(NN=C2CCC(OC3CCCC3)CC2)nc1 834925037 IIFZLAGIZGTKIX-UHFFFAOYSA-N 273.380 3.751 30 20 CHED c1cc2[nH]ncc2cc1NN=C1CCCC12CCC2 834974020 SMFJEGIEDNNQEV-UHFFFAOYSA-N 254.337 3.685 30 20 CHED C[C@H](NN=Cc1ccc(C(F)(F)F)s1)C(F)(F)F 834998262 SDOILLYUMWGTCF-YFKPBYRVSA-N 290.232 3.641 30 20 CHED CC(C)ON=C[C@@H](C)c1cccc(Br)c1 835000421 NGXBNMYPNZEGIR-SNVBAGLBSA-N 270.170 3.963 30 20 CHED COc1cc(OC)c(C(C)=NOC(C)C)cc1Cl 835004572 RVJMIXANRUQMRW-UHFFFAOYSA-N 271.744 3.506 30 20 CHED CC(=NNCc1ccc(C)cc1)c1c(C)nn(C(C)C)c1C 835009020 QALWDNNXCKRWSP-UHFFFAOYSA-N 298.434 3.903 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1cc2ccccc2o1 835334082 FQMQQUUKTHAHBL-YUTCNCBUSA-N 286.327 3.628 30 20 CHED COc1cc(Cl)c(C)cc1NC(=O)C#CC(C)(C)C 837307979 BRLGLISWKOFIFI-UHFFFAOYSA-N 279.767 3.645 30 20 CHED CC(C)(C)C#CC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 837458062 CCUXWRDZFQPTAI-NWDGAFQWSA-N 289.341 3.521 30 20 CHED C#C[C@H](NC(=O)[C@H](C)C1CCC1)c1ccc(Cl)cc1 837663678 XSZTZWSHIBGOPI-ABAIWWIYSA-N 275.779 3.567 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc(SC)c(OC)c1 837864910 SKBIHIHCZDAERO-UHFFFAOYSA-N 280.389 3.673 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)[C@H]1CC12CCC2 839436165 UHYPUPRFYSURPB-OAHLLOKOSA-N 276.339 3.840 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc3ncsc3c2)C1 839445838 VBMZCRRDEXVYOS-JQWIXIFHSA-N 286.356 3.535 30 20 CHED CCOC1(C(=O)OCCC2(C#N)CCCCC2)CCCC1 840556762 XDLHDKOPMIQPRZ-UHFFFAOYSA-N 293.407 3.743 30 20 CHED C=CCCCCCCNC(=O)Nc1ccc(N)c(OC)c1 841268056 FXRFBDMAJJAQSC-UHFFFAOYSA-N 291.395 3.535 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1ccc(C)cc1F 841327114 ACVGEKLIJPNQDL-UHFFFAOYSA-N 261.340 3.865 30 20 CHED CCc1oc2ccccc2c1C=NOC[C@H]1C[C@H]2CC[C@H]1O2 842021772 WGMYPFOIGGQOLQ-PBFPGSCMSA-N 299.370 3.913 30 20 CHED Cc1cccc(C(=O)/C=C\c2ccnn2CC(C)C)c1 843270280 YEIGARHYTXURKI-FPLPWBNLSA-N 268.360 3.744 30 20 CHED Cc1ccc(-c2ccc3c(c2)OCCC[C@@H]3O)c(C#N)c1 844231770 GOAYLZGKZREXPY-KRWDZBQOSA-N 279.339 3.740 30 20 CHED C=C(C)CONC(=O)Nc1ccc(C(C)(C)C)cc1 844480269 CHWOCNQDAZKQPT-UHFFFAOYSA-N 262.353 3.613 30 20 CHED C=C(C)CONC(=O)N[C@@H](CCC)c1ccc(F)cc1F 845601744 ODQIHYNPJIXXET-AWEZNQCLSA-N 298.333 3.613 30 20 CHED C#CCC1(OC(=O)c2cc(Cl)nc(C3CC3)c2)CCC1 847697817 JHNJTZFERLRVRM-UHFFFAOYSA-N 289.762 3.715 30 20 CHED C=CCCN[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 850501619 FLNCWOPEZJAZQQ-QMMMGPOBSA-N 259.180 3.802 30 20 CHED N#CCOc1cccc(OC(=O)C2[C@H]3CCCCCC[C@H]23)c1 851087825 DMDDLJUDYHSMTE-HOTGVXAUSA-N 299.370 3.711 30 20 CHED Cc1ccc(F)c(C(=O)O[C@@H](C)CC(C)(C)C#N)c1F 851207999 LVFMZNBOFOYDEL-JTQLQIEISA-N 281.302 3.758 30 20 CHED C#C[C@@H](OC(=O)[C@H](C)c1c(C)noc1C)c1ccc(C)cc1 860964428 PVGOZVQXCUQLOQ-MLGOLLRUSA-N 297.354 3.621 30 20 CHED N#CC1CCN(Cc2csc(C(F)(F)F)c2)CC1 862236835 QAICSBQOCRKGAJ-UHFFFAOYSA-N 274.311 3.502 30 20 CHED Cc1nc2c(NCc3cccc(C#N)c3)cccc2o1 864014926 WGSONIXNRYQNQS-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C=C(C)C[C@H](NCc1cc(Cl)cc(Cl)c1)C(=O)O 864530275 UWULYHUYBAMKJP-LBPRGKRZSA-N 288.174 3.502 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H]1CCc2ccc(F)cc21 878757493 NGIGYUUTXITFPA-CQSZACIVSA-N 261.340 3.532 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1cncc(Br)c1C 888900689 HFRNRUPTGJILFA-UHFFFAOYSA-N 297.196 3.693 30 20 CHED C=C1CCC(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CC1 889222705 XWWKKOGICNIXCA-CQSZACIVSA-N 290.432 3.765 30 20 CHED N#Cc1nc(N[C@@H](c2ccccn2)C2CC2)sc1Cl 895796884 URXOHGAUWDHXBT-LLVKDONJSA-N 290.779 3.626 30 20 CHED O=C([C@@H](F)CC1CCCCC1)N(O)Cc1ccc(F)cc1 900093881 AONMYOSUGZNTBO-HNNXBMFYSA-N 297.345 3.852 30 20 CHED CCc1onc(C)c1C=NNc1cc(C)cc(C)c1 901149523 MBRBRMBOQQXXRE-UHFFFAOYSA-N 257.337 3.608 30 20 CHED C=C(C)C[C@@H](NC1CCC2(CCCCC2)CC1)C(=O)O 901680388 XIFJAFXAYMCURG-OAHLLOKOSA-N 279.424 3.889 30 20 CHED N#CC1(CCCCN2C[C@@H](CCN)c3ccccc32)CCC1 903789685 ZRXLWPLLKJISQD-MRXNPFEDSA-N 297.446 3.803 30 20 CHED C[C@@H]1/C(=C/c2ccc(C3CCCC3)cc2)C(=O)c2ncnn21 905083455 DJJQWKQSWUZYGT-YUSFRKCESA-N 293.370 3.777 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ncc(Cl)cc1C 905713897 KZZNUPCUYLUJGI-SNVBAGLBSA-N 252.745 3.584 30 20 CHED C=CC(C)(C)C(=O)N(c1nc2ccccc2o1)C1CC1 905869569 JZLVLQJQCPUDDK-UHFFFAOYSA-N 270.332 3.535 30 20 CHED CCc1ccccc1NN=Cc1cnc2ccccc2n1 915051891 XRLYSOBBOMSHBO-UHFFFAOYSA-N 276.343 3.638 30 20 CHED CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916627195 DTGGKEVHDXHNSP-GFCCVEGCSA-N 270.357 3.705 30 20 CHED C=CCc1ccccc1OC(=O)c1cc(C)cc([N+](=O)[O-])c1 920838226 FHLYUCBBZLDFGO-UHFFFAOYSA-N 297.310 3.851 30 20 CHED CSc1ccc(CCN[C@@H](C)CC(C)(C)C#N)cc1 926344358 VTOJNWXXMITFAW-ZDUSSCGKSA-N 276.449 3.869 30 20 CHED Cc1cc(C)c(NC(=O)N2CCC[C@@H](C#N)C2)c(Cl)c1 929256107 YHTDUGZDTGCOKY-LBPRGKRZSA-N 291.782 3.724 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cc(C#N)ccc1OC(F)F 931817416 SQFHTUMETYQQKL-JTQLQIEISA-N 294.301 3.700 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1 933101326 MNSVCUQJTHEBOC-HNNXBMFYSA-N 293.317 3.782 30 20 CHED C=CCCCN(CCC)Cc1nc(O)c2sccc2n1 1116339344 CNMIVTVRNDTJGZ-UHFFFAOYSA-N 291.420 3.575 30 20 CHED Cc1cc(=O)oc2cc(NC(=O)CCCCCC#N)ccc12 1117530532 SBIKMLHXGQMNGV-UHFFFAOYSA-N 298.342 3.514 30 20 CHED CCC/C(C)=C\c1nnc(COc2ccc(C#N)cc2)o1 1118415229 JKYAPXRWFRWFIK-XFXZXTDPSA-N 283.331 3.724 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc2c(n1)CCC2 1123423906 UGGHUQTZHQMLDS-AWEZNQCLSA-N 285.391 3.533 30 20 CHED N#CC[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccco1 1123462400 KJXYNFTVUZZZJU-FMKPAKJESA-N 299.301 3.720 30 20 CHED Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC[C@@H](C)CC1 1128187297 LXZMNGRYDJHGQD-IUODEOHRSA-N 270.376 3.565 30 20 CHED C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C1CCC1 1162994499 HDFFZDQMLSIBMA-NSHDSACASA-N 257.381 3.851 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@]1(C)CC(C)C 1194534112 OHINNBZLPFDNQD-GOSISDBHSA-N 286.419 3.967 30 20 CHED Cc1cc(C)c2c(c1)N(Cc1cccc(C#N)n1)CCC2 1205334556 KPVAVTJQKYQNED-UHFFFAOYSA-N 277.371 3.523 30 20 CHED CC(C)(c1ccccc1)c1nnc(C#Cc2ccccc2)o1 1261568919 NCJBOADJTFULEX-UHFFFAOYSA-N 288.350 3.795 30 20 CHED N#CCc1cccc(N2CCC[C@H]2/C=C/c2ccccc2)n1 1262366871 ZIBVNGSYVKTCHW-DXRVJIQQSA-N 289.382 3.830 30 20 CHED COc1ccc([C@H](C)OC(=O)c2csc(C#N)c2)cc1 1267287658 XPMSMAVSRDROIB-JTQLQIEISA-N 287.340 3.546 30 20 CHED CSc1ccccc1[C@@H](C)OC(=O)c1cc(C#N)ccn1 1272305924 ULMKBYBKXMRXMH-LLVKDONJSA-N 298.367 3.593 30 20 CHED CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cccc(C#N)c1 1307543664 MZRCDGCWOYXMME-IRXDYDNUSA-N 286.419 3.584 30 20 CHED CCC1(NC(=O)Nc2scc(C)c2C#N)CCCC1 1310700609 CKUPKNMIFCSZCN-UHFFFAOYSA-N 277.393 3.773 30 20 CHED Cc1cccnc1CSCc1ccc(C#N)cc1 1319859404 UMWCOXINDNYRBM-UHFFFAOYSA-N 254.358 3.695 30 20 CHED CC(=O)c1ccc(C#N)c(N2CC[C@@H]3CCCC[C@H]3C2)c1 1320220601 QWRBETWAAGXCLK-YOEHRIQHSA-N 282.387 3.777 30 20 CHED N#CCc1cccc(N[C@@H]2CCC[C@H]2Cc2ccccc2)n1 1320358995 CBWCBEUUUFKGBB-FUHWJXTLSA-N 291.398 3.971 30 20 CHED C[C@@H](Cc1ccsc1)Nc1c(C#N)cccc1C#N 1320930269 JBTGTRQVKYWUPK-NSHDSACASA-N 267.357 3.535 30 20 CHED C#CCN(CC)C(=O)c1ccc2c(c1)oc1ccccc12 1321871784 XMSYCTOVPQPHST-UHFFFAOYSA-N 277.323 3.681 30 20 CHED N#CCc1cccc(N2CCC[C@H](c3ccccc3)C2)n1 1325148444 OOIXBMSXIXUZED-INIZCTEOSA-N 277.371 3.532 30 20 CHED N#Cc1ccc(-c2nnc(CC3CCCC3)o2)cc1Cl 1325828731 VPXNCPCTHHPKSE-UHFFFAOYSA-N 287.750 3.994 30 20 CHED CCCCCCCCC(=O)N[C@H]1CCCC[C@H]1N(C)C 1327544388 RWIZKTCUERJMPL-JKSUJKDBSA-N 282.472 3.726 30 20 CHED Cc1nc(C(=O)OC[C@H](C)C2CCCCC2)ccc1C#N 1330332975 ANXWMIDJCGBZRU-LBPRGKRZSA-N 286.375 3.635 30 20 CHED CC(C)c1ccc2c(c1)C(=NNc1ccn(C)n1)CCC2 1338903196 ILCPPJKHKBCCIZ-UHFFFAOYSA-N 282.391 3.696 30 20 CHED CC1(C)CCC[C@@H](NC(=O)CC#Cc2ccccc2)C1 1343402754 GVHGHLWPUIVISC-MRXNPFEDSA-N 269.388 3.513 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 1344446177 CYIQWKCBDIJOFL-AWEZNQCLSA-N 262.328 3.788 30 20 CHED C=C(CC)C(=O)N[C@H](C)c1ccc(OCC)c(OCC)c1 1347251002 TVFKOHUWIAHYGW-CYBMUJFWSA-N 291.391 3.627 30 20 CHED C[C@@H]1CCC[C@@H](NC(=O)[C@@H](CC#N)c2ccccc2)CC1 1435929166 UVWDIAVLTQUTEB-OIISXLGYSA-N 284.403 3.769 30 20 CHED CC[C@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 1456269892 KYYDIAYYABUBLA-DOTOQJQBSA-N 284.403 3.723 30 20 CHED CNc1ccc(Cl)c(C(=O)Nc2cccc(C#N)c2C)c1 1457688500 HRTMBWDOUMBSEF-UHFFFAOYSA-N 299.761 3.814 30 20 CHED C[C@@H](NCc1cccc(C#N)n1)c1cc2ccccc2o1 1462108656 WLCBNSUWLCBEHF-GFCCVEGCSA-N 277.327 3.550 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1F)C1CCCCC1 1472686138 XKUZGTBKXZSHSS-CQSZACIVSA-N 261.344 3.863 30 20 CHED CCCN(c1nccc(Oc2cccc(C#N)c2)n1)C1CC1 1472744632 ZDXZCSMEDFVQME-UHFFFAOYSA-N 294.358 3.519 30 20 CHED Cc1ccnc(CSc2ccc(Cl)cc2C#N)n1 1472998140 VIMWJDSMNFHNIV-UHFFFAOYSA-N 275.764 3.602 30 20 CHED Cc1cc(F)cc(C)c1C(=O)Nc1cccc(OCC#N)c1 1515824450 MLLMVRXUUWQYDL-UHFFFAOYSA-N 298.317 3.597 30 20 CHED CC(C)(CNc1c(F)cc(C#N)cc1F)C1=CCOCC1 1516453047 LEDCSDRBWCHIOR-UHFFFAOYSA-N 292.329 3.621 30 20 CHED CCC[C@H]1CCCN1C(=O)Nc1scc(C)c1C#N 1517657375 ONBYFWIQWRHDDZ-NSHDSACASA-N 277.393 3.725 30 20 CHED CC1(CCC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)CC1 1518927863 AGEYXLADCPKSBM-LLVKDONJSA-N 296.292 3.857 30 20 CHED C=C(CC)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 1519019990 KCPXSFBGGVESEM-CQSZACIVSA-N 289.375 3.539 30 20 CHED CC[C@H](Nc1cc(C#N)nc(C)n1)c1ccc(C)c(F)c1 1559155025 UZXZCSJEUUVCQT-HNNXBMFYSA-N 284.338 3.667 30 20 CHED C=CCCC[C@@H](Nc1ccc(C(=O)O)nn1)c1ccccc1 1573364657 ACUGGNFHOPIJJQ-CQSZACIVSA-N 297.358 3.684 30 20 CHED Cc1ccc(NN=C2CCC[C@H](CCCC(=O)O)C2)nc1 1600463381 VPAPNWYAXPATNP-CYBMUJFWSA-N 289.379 3.603 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)O 1602747649 XWTAAOSWLHJOOP-SECBINFHSA-N 281.739 3.579 30 20 CHED N#Cc1ccc(F)cc1SCc1ccccc1C(=O)O 1608207382 OOKHERKMIVPUDH-UHFFFAOYSA-N 287.315 3.688 30 20 CHED COCCN(Cc1ccc(C)cc1C)C[C@@H](C)CCC#N 1621142052 YUAODQJRBIFHFL-INIZCTEOSA-N 288.435 3.692 30 20 CHED Cc1cc(CCNc2ncc(C#N)cc2F)ccc1Cl 1639957078 QMJMIJYFEPPUOX-UHFFFAOYSA-N 289.741 3.709 30 20 CHED CCSCc1ccc(Nc2cc(C#N)nc(C)n2)cc1 1642699405 HHPQKIHARWFHCW-UHFFFAOYSA-N 284.388 3.653 30 20 CHED Cc1cc(=Nc2cccc(COC(C)(C)C)c2)c(C#N)c[nH]1 1651473614 IPBUQKBVSIEVSN-UHFFFAOYSA-N 295.386 3.742 30 20 CHED C=C(Cl)CN1CCC[C@]1(C)Cc1ccccc1F 1654001882 NHNBFWJETBMPTG-OAHLLOKOSA-N 267.775 3.975 30 20 CHED C[C@H](NC(=O)N[C@]1(C)CCCC[C@H]1C)c1ccc(C#N)cc1 1676107765 DIAOOUMGKPWCCO-QWQRMKEZSA-N 299.418 3.887 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc(CC(=O)O)cc2)cc1 1776114361 NJXHVFJXPMFHQP-DHZHZOJOSA-N 280.323 3.518 30 20 CHED Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1Cl 6033842 HILISXSOFBNMIA-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(C#N)c1 13994603 LHRRCHZOPFSJBG-INIZCTEOSA-N 294.354 3.663 30 20 CHED CC(C)Oc1ccccc1C(=O)Nc1ccc(C#N)cc1 20289650 DPMPIXJKARECTL-UHFFFAOYSA-N 280.327 3.598 30 20 CHED N#Cc1ccc(NCc2ccc(Cl)s2)c([N+](=O)[O-])c1 26727189 FKKXFDNGDVJSCT-UHFFFAOYSA-N 293.735 3.793 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H](C)c1ccccc1Cl 44766659 RBXLWZUPMNNAQJ-LLVKDONJSA-N 278.783 3.847 30 20 CHED Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2C#N)cc1 45364240 OWLQSXLBWXROAN-AYJWMTRPSA-N 290.366 3.757 30 20 CHED N#Cc1cccc(CN(C2CCCCC2)C2CC2)c1 48008834 MUJYWJGZQMOPET-UHFFFAOYSA-N 254.377 3.855 30 20 CHED CCCOc1cc(C)ccc1NC(=O)C1(C#N)CCCC1 55620062 NKNROLDVEQZXFI-UHFFFAOYSA-N 286.375 3.806 30 20 CHED N#Cc1c(Cl)cccc1N1CCOc2ccccc2C1 58003384 VDBWJLYASICUSW-UHFFFAOYSA-N 284.746 3.611 30 20 CHED Cc1ccc([C@H](C)N(C)CCCSCC#N)cc1 74981789 IDYVSRYEZBJLGD-AWEZNQCLSA-N 262.422 3.635 30 20 CHED N#Cc1cccc(NC(=O)c2cc(Cl)cs2)c1 82338556 LGMYXIZTVBFWGL-UHFFFAOYSA-N 262.721 3.525 30 20 CHED C=CCCOCCN[C@@H](c1ccc(C)cc1)C1CC1 91406681 PCEUGXUIQCVQDT-KRWDZBQOSA-N 259.393 3.628 30 20 CHED CCCOc1ccc(C/N=C\c2ccccc2O)cc1 103010629 ZZMCIHODLRFHBT-AQTBWJFISA-N 269.344 3.800 30 20 CHED C=CCSCCNCc1ccc(C(F)(F)F)cc1 105462461 COIVTVRVEWHNHE-UHFFFAOYSA-N 275.339 3.714 30 20 CHED C[C@H](NCC1(C)CCCC1)c1ccc(OCC#N)cc1 108941347 QRAIDOPXNDGLPP-AWEZNQCLSA-N 272.392 3.820 30 20 CHED C=CCCc1nc(Cc2cccc(Br)c2)no1 109614285 PZBBXQMTHGJQAC-UHFFFAOYSA-N 293.164 3.542 30 20 CHED O=C(/C=C/c1ccc(F)c(Cl)c1)c1cccnc1 120646186 DGWOSICBSBGPEN-GQCTYLIASA-N 261.683 3.770 30 20 CHED C=CCC[C@@H](NCc1ccc(F)c(COC)c1)C1CC1 121262441 GSOFNNVXFFRXTL-QGZVFWFLSA-N 277.383 3.807 30 20 CHED N#Cc1ccc(CN2CCC[C@@H]2c2ccccc2)s1 123663841 SFCMHJQZKKKKKI-MRXNPFEDSA-N 268.385 3.957 30 20 CHED C=CCN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 123801882 RXSAOVNXHLTBMK-SJORKVTESA-N 259.393 3.541 30 20 CHED CC[C@H]1CCCC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F 123839046 UMUAANUGOKMZEE-FZMZJTMJSA-N 292.329 3.535 30 20 CHED C#CCCCCNCc1cccc(-c2ccccn2)c1 128833578 ZXPCVCDBWVKPEO-UHFFFAOYSA-N 264.372 3.642 30 20 CHED COC1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 129899760 RNMCSOWCNFSBAV-UHFFFAOYSA-N 298.308 3.947 30 20 CHED N#CCC[C@H](NCc1cccc(O)c1)c1ccccc1 130608035 JNRNKZOPCXACLD-KRWDZBQOSA-N 266.344 3.527 30 20 CHED CCCCCCCC(=O)NC[C@@](C)(O)c1ccc(F)cc1 131643517 XZCCQMHWXJGJBD-QGZVFWFLSA-N 295.398 3.510 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H]1CCc2ccccc21 132416187 JQUVLHRAYOCAEC-INIZCTEOSA-N 269.388 3.601 30 20 CHED Cc1ccc(Cl)c(Oc2nccc(C#N)c2[N+](=O)[O-])c1 132461658 FFOFEZHILOLLGR-UHFFFAOYSA-N 289.678 3.616 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1ccccc1F 135668076 ONHINYLAEKCJGF-JTQLQIEISA-N 260.337 3.610 30 20 CHED Cc1cc(CNc2ccc(C#N)cn2)c2[nH]c(C)c(C)c2c1 143363744 ZSDMGMCPROXGBC-UHFFFAOYSA-N 290.370 3.972 30 20 CHED CCCOc1cccc(/C=C/C(=O)c2cc(O)cc(O)c2)c1 152686954 LQLJEUCYMFKLHC-VOTSOKGWSA-N 298.338 3.783 30 20 CHED C#CCCCOC(=O)[C@@H](C)c1ccc(Br)cc1 155639428 VOUHCNZDKHDQMO-NSHDSACASA-N 295.176 3.509 30 20 CHED Cc1ccccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N 162055186 QNJHQHJOZNBDLF-ZDUSSCGKSA-N 295.342 3.930 30 20 CHED Cc1cccc([C@@H](C)S(=O)(=O)Cc2ccccc2C#N)c1 173900648 IVLRMABIJDQXIL-CQSZACIVSA-N 299.395 3.543 30 20 CHED C#CCCCNC(=O)Nc1cccc(OC2CCCC2)c1 174847739 ORAWCMVKMUIENS-UHFFFAOYSA-N 286.375 3.543 30 20 CHED CCCCCCC(=O)N[C@@H](C#N)C1CCCCC1 176578678 MDSSLIYPNSPNTC-AWEZNQCLSA-N 250.386 3.545 30 20 CHED CC(=O)Nc1cc(NCc2cc(C#N)ccc2F)ccc1C 178290432 UKVWLUHEUSXFSE-UHFFFAOYSA-N 297.333 3.576 30 20 CHED N#Cc1csc(/C=C/C(=O)c2ccc(Cl)nc2)c1 179410863 UWROJOHIWMNBES-NSCUHMNNSA-N 274.732 3.564 30 20 CHED C=CC[C@@H](C)N[C@@H](C)c1nc2ccc(Cl)cc2n1C 180178981 VWJMDKXBRSPVEL-MNOVXSKESA-N 277.799 3.842 30 20 CHED CCOc1cccc2cc([C@H](C)NCCCC#N)oc12 180359097 FQOMBVGLRHGNFK-LBPRGKRZSA-N 272.348 3.786 30 20 CHED CC[C@H](C)[C@H](C)C(=O)N[C@](C)(C#N)CCc1ccccc1 181068816 NSWVREAORLKGFU-MPGHIAIKSA-N 286.419 3.700 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cc(C#N)cs1 181124876 LRGPQCJWHBBHRV-NSHDSACASA-N 283.356 3.523 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccco1 181393684 BISUTJHEJCVOJZ-STQMWFEESA-N 264.369 3.727 30 20 CHED Cc1csc([C@H](NCCCC(C)(C)C#N)C2CC2)n1 183490620 IJOSQIGFUZXGBR-CYBMUJFWSA-N 277.437 3.822 30 20 CHED CC#CCCCC(=O)NCc1csc(-c2ccccc2)n1 185884732 NCRKPONHMOOWPL-UHFFFAOYSA-N 298.411 3.620 30 20 CHED C#CCC(C)(C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 185900764 DHXVJVBTUANMSP-HNNXBMFYSA-N 269.388 3.575 30 20 CHED C=C(C)[C@@H](NC(=O)CCCC)c1ccc(F)c(F)c1 186069006 QJMPOAQMZHGKSU-OAHLLOKOSA-N 267.319 3.888 30 20 CHED Cc1coc2ccc(NC(=O)N3CCC(C#N)CC3)cc12 187996767 XKJZGBNANOJLRK-UHFFFAOYSA-N 283.331 3.509 30 20 CHED C=CCC1(C(=O)Nc2cccc(-c3nnc(C)o3)c2)CCC1 188196348 PBAFHRUXWSGTHL-UHFFFAOYSA-N 297.358 3.730 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](c3ccccc3)C2)CCC1 190703382 XXYHXRKMRTXYJT-MRXNPFEDSA-N 269.388 3.749 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 190832777 YNEDMPZZBRGDCQ-INIZCTEOSA-N 287.338 3.552 30 20 CHED N#CCCCSC[C@H]1CCC2(CCCCC2)O1 191025468 BYBCHNYFVLFCHU-CYBMUJFWSA-N 253.411 3.905 30 20 CHED C=CCCN(CCc1ccccc1)Cc1cccnc1 191354086 SGDGZEXORTWHHP-UHFFFAOYSA-N 266.388 3.702 30 20 CHED CC(C)N(C)c1ccc(CNc2ccc(F)c(C#N)c2)cn1 191842722 UMKHBPFMFGWJAH-UHFFFAOYSA-N 298.365 3.549 30 20 CHED C#CCCCC(=O)Nc1ncc(-c2ccccc2)s1 192170196 GTAALIQUEIDYQJ-UHFFFAOYSA-N 270.357 3.552 30 20 CHED C=CCC(CC=C)C(=O)N1CCC(c2ccncc2)CC1 192296253 YBHKWUPJBLNUEG-UHFFFAOYSA-N 284.403 3.556 30 20 CHED C#CCCCC(=O)N1CCCC[C@H]1c1ccc(C)cc1 192348002 BHXDXOPDWQXWFH-KRWDZBQOSA-N 269.388 3.852 30 20 CHED C[C@H](NC[C@@H](c1ccccc1)N(C)C)c1cccc(C#N)c1 192930214 ALDOQSNPYACBOX-KXBFYZLASA-N 293.414 3.512 30 20 CHED C=CCCCCCN1CCN([C@@H](C)c2nccs2)CC1 193557796 YQFTUXCABBINFM-HNNXBMFYSA-N 293.480 3.568 30 20 CHED CCCc1nc(COc2cc(C#N)cc(OC)c2)cs1 233379757 CEYNXGPRGGWPHM-UHFFFAOYSA-N 288.372 3.555 30 20 CHED C[C@@H](C#N)Oc1ccc(CNCCCc2ccccc2)cc1 237696478 GSSWHYGJJWJQNN-INIZCTEOSA-N 294.398 3.700 30 20 CHED Cc1ccccc1OCCN(C)c1cccc(F)c1C#N 248012931 JVXCBHAEKRGTCY-UHFFFAOYSA-N 284.334 3.521 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1cccc(Cl)c1 252460355 DTZKZEVRJYDUML-UHFFFAOYSA-N 275.695 3.694 30 20 CHED COCCOc1ccccc1/C=C\C(=O)c1cccs1 254990323 NSHYILTVFIFRJG-HJWRWDBZSA-N 288.368 3.669 30 20 CHED COCCCOc1cccc(N=Cc2ccccc2O)c1 255846005 PIQAZUCDTITCAK-UHFFFAOYSA-N 285.343 3.558 30 20 CHED N#Cc1ccc(NC(=O)NC(C2CC2)C2CC2)c(Cl)c1 269149592 QLRPDIPJDTXLFK-UHFFFAOYSA-N 289.766 3.522 30 20 CHED C=CCN(C(=O)N[C@@H](C)c1ccccc1Cl)C1CC1 271467596 QSWNUVBESHNPHN-NSHDSACASA-N 278.783 3.761 30 20 CHED CSc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)nc1 272286917 PKGKWABDLAPWPO-GFCCVEGCSA-N 299.399 3.879 30 20 CHED Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCCCS2)cc1 272944566 MVSROKULGUQJPE-HNNXBMFYSA-N 288.416 3.527 30 20 CHED C#CCCCCc1nc(-c2cnc3ccsc3c2)no1 274070892 YJTCPTSLOMCZLG-UHFFFAOYSA-N 283.356 3.692 30 20 CHED C=CCCCCNC(=O)[C@@H]1C[C@@H]1c1sccc1C 274509103 WYLUDNFEOYLUNK-QWHCGFSZSA-N 263.406 3.633 30 20 CHED C=C(C)[C@H](N[C@@H]1CCO[C@@H](C)C1)c1ccc(F)c(F)c1 274803252 OYFLSDBQRFLBTH-GHJWDPDVSA-N 281.346 3.739 30 20 CHED CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCC1)CC2 275068024 UFPCATQQUVFLHC-INIZCTEOSA-N 282.387 3.607 30 20 CHED C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CC(C)(C)C#N)C1 279249797 LDJJJCKNINEEMO-DOMZBBRYSA-N 288.366 3.675 30 20 CHED C[C@@H](CC#N)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F 279642560 LYMSNCZVTODROU-NSHDSACASA-N 299.340 3.505 30 20 CHED CC[C@H](c1cccc(OC)c1)N(C)C(=O)[C@@](C)(C#N)CC 290060138 JIJCTJCQWCDPDY-NVXWUHKLSA-N 288.391 3.545 30 20 CHED C=CCC1(c2nc(Cc3c[nH]c4ncccc34)no2)CCC1 290173266 USUSDJLVMQCCJE-UHFFFAOYSA-N 294.358 3.535 30 20 CHED N#CCCCC(=O)NC(c1cccs1)c1cccs1 291615938 DYVCZIPRUMWKNR-UHFFFAOYSA-N 290.413 3.709 30 20 CHED N/C(=N\C[C@@H]1CCCCC(F)(F)C1)Nc1ccccc1 291901591 KZCFSACGGOICNZ-GFCCVEGCSA-N 281.350 3.629 30 20 CHED C[C@@H](C#N)CN(C)C(=O)Nc1cccc(C2CCC2)c1 291988128 GIISSKGRYDVIKS-LBPRGKRZSA-N 271.364 3.577 30 20 CHED N#Cc1ccc(CNC[C@@H]2CCCCC2(F)F)c(F)c1 295084110 IQASTCKKCPLMOL-ZDUSSCGKSA-N 282.309 3.612 30 20 CHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(NC(=O)N(C)C)c1 295107604 VRTUEUVREUDDIU-CHWSQXEVSA-N 275.396 3.793 30 20 CHED Cc1ccc(-c2nc(C)c([C@H](C)NCCC#N)s2)cc1 299220098 HRCIMIKJXNDNSP-LBPRGKRZSA-N 285.416 3.991 30 20 CHED C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[C@H]2CC[C@H]1C2 300136967 PHNZUHWFYXXMLS-KATARQTJSA-N 281.812 3.905 30 20 CHED C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)[C@H]1c1ccccc1 301464248 KSIPMBOFFDZCJO-SJKOYZFVSA-N 293.326 3.664 30 20 CHED CCC[C@@]1(C)CCCN(c2nc3ccccn3c2C#N)C1 302131243 CAFDENJYAPZYBP-KRWDZBQOSA-N 282.391 3.613 30 20 CHED CC(=O)c1ccc(C#N)c(NC[C@H](C)c2c(C)noc2C)c1 302143869 QFQFWVSGTHOGCG-JTQLQIEISA-N 297.358 3.581 30 20 CHED CC[C@@]1(C)CN(c2ccc(C#N)cc2C(F)(F)F)CCO1 302695351 WEQCGTHIAOHIEP-AWEZNQCLSA-N 298.308 3.582 30 20 CHED C=CCOc1ccccc1CNC(=O)C[C@H](C)CC(C)C 303536898 SVPKJBAJRDKLKS-OAHLLOKOSA-N 289.419 3.940 30 20 CHED C=CCCCCN[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 309752211 WGOVIXHQAOEXGL-HUUCEWRRSA-N 296.455 3.626 30 20 CHED Cc1ccc(C#N)cc1NCc1ccc(-n2cccn2)cc1 315476701 UWGSPODUXGDFPF-UHFFFAOYSA-N 288.354 3.665 30 20 CHED N#C[C@@H]1CCC[C@@H]1N/C(O)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 329618752 GFWLCWBQJVSOTP-GVRJEKJASA-N 289.423 3.541 30 20 CHED C[C@@H]1C(O)=Nc2cc(/C(O)=N/[C@H]3C=CCCC3)ccc2N1C 329810508 QSOHISZVEZDMBP-YPMHNXCESA-N 299.374 3.526 30 20 CHED CC1(C)C(C/N=C(/O)c2cc(-c3ccncc3)on2)C1(C)C 330081353 GSRIMKJUSZWJCL-UHFFFAOYSA-N 299.374 3.723 30 20 CHED CCC(CC)c1cc(C/N=C(/O)N2CCC[C@H]2CC)on1 330975830 JTYAQCILCDYSIH-CYBMUJFWSA-N 293.411 3.867 30 20 CHED CCC(CC)(CC)C/N=C(/O)N[C@H]1CCCc2c[nH]nc21 331105606 GBANUDKFJZMILI-ZDUSSCGKSA-N 292.427 3.507 30 20 CHED N#CC[C@H](CC(=O)NC1CCCCCC1)c1ccccc1 332062477 ZFBNGGSPRXPIAD-MRXNPFEDSA-N 284.403 3.913 30 20 CHED CCc1cccc(NC(=O)N2CCC(C)(C#N)CC2)c1CC 334693893 RCKYPTJANUHANC-UHFFFAOYSA-N 299.418 3.969 30 20 CHED N#CCCC1CCN(C(=O)c2sccc2Cl)CC1 335385213 SRXKVISZYOFIOI-UHFFFAOYSA-N 282.796 3.557 30 20 CHED N#CCCC1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 335500831 KHBVTEJQWUOSIW-UHFFFAOYSA-N 294.398 3.802 30 20 CHED Cc1cc(C(=O)Nc2scc(C)c2C#N)c(F)cc1F 335657092 LKAMEYQNLZZMRF-UHFFFAOYSA-N 292.310 3.767 30 20 CHED CCN(C(=O)c1ncc(C#N)cc1Cl)c1ccccc1C 335720493 SVDVKPVZDAIRMA-UHFFFAOYSA-N 299.761 3.582 30 20 CHED Cc1c(C(=O)N(C)CC(C)(C)C#N)oc2c(C)cccc12 336237797 WEQQUBVXQOYSBW-UHFFFAOYSA-N 284.359 3.671 30 20 CHED C=CC(C)(C)C(=O)N1CCC(c2ncccc2Cl)CC1 336270110 KULFDIASGMLLEY-UHFFFAOYSA-N 292.810 3.653 30 20 CHED C[C@@H]1CCC[C@@H](NCCCC2(C#N)CCOCC2)[C@@H]1C 337201844 GHYIJKFHDIRXCH-BZUAXINKSA-N 278.440 3.501 30 20 CHED Cc1c(C#N)cccc1C(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 337827346 RAJZVTLRWPCGAQ-ACJLOTCBSA-N 282.387 3.519 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCCCOC(F)F 338023268 RJHJZEPQVZDDLR-HNNXBMFYSA-N 294.345 3.545 30 20 CHED Cc1cc([C@@H](C)Nc2ncc(C#N)cc2Cl)c(C)o1 339135935 PBHSIIVMYMNMMP-SECBINFHSA-N 275.739 3.990 30 20 CHED CC(C)(CCC#N)CNC/C=C/c1ccc(F)cc1 342291463 FOTVDLZJSKDBLX-HWKANZROSA-N 260.356 3.758 30 20 CHED N#CCc1ccc(CNc2cc(F)cc(F)c2)cc1 342440986 LOWSEPXKWWDYFT-UHFFFAOYSA-N 258.271 3.643 30 20 CHED C=CCCN(C)Cc1c(Cl)ccc2cccnc12 342730344 GFWMTXPBIGKZCC-UHFFFAOYSA-N 260.768 3.896 30 20 CHED CCS[C@@H]1CCC[C@H](N=c2[nH]ccc(C#N)c2Cl)C1 342815565 DJUFXESOAFUGSX-NWDGAFQWSA-N 295.839 3.505 30 20 CHED N#CC1(CN[C@@H](c2ccc(F)cc2)C2CCC2)CC1 343320384 DANSHOASTBYUCV-OAHLLOKOSA-N 258.340 3.560 30 20 CHED Cc1ccnc(N(Cc2ccc(F)cc2)C2CC2)c1C#N 343530386 NPZLOXWERFAPFA-UHFFFAOYSA-N 281.334 3.570 30 20 CHED CCC[C@@H](NCc1ccc(C#N)s1)c1ccccn1 344205110 FBDDJVJYEJNZBU-CQSZACIVSA-N 271.389 3.646 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCCc2occc2C1 344308249 XBDVSKLHXGMVDA-UHFFFAOYSA-N 286.762 3.753 30 20 CHED N#CC1(CSCCOc2cccc(Cl)c2)CC1 344479609 DVUPBKODHRYNOQ-UHFFFAOYSA-N 267.781 3.756 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CSc3ccccc32)n1 346854012 TWCVACDXJRNUJN-ZDUSSCGKSA-N 267.357 3.521 30 20 CHED Cc1ccc(C#N)c(N2CC[C@H](c3ccccc3C)C2)n1 346854021 TZMMJPLVFKVYSW-INIZCTEOSA-N 277.371 3.564 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3c(Cl)cccc32)C1 349426727 XCAPWVCJQGQSAB-UEKVPHQBSA-N 260.768 3.609 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc3ccccc3c2)C1 349827243 HREWWPKLJWZMLU-SUMWQHHRSA-N 250.345 3.622 30 20 CHED C=CCC(C)(C)C(=O)Nc1cnn([C@@H](C)CC)c1C 349961278 DGUMXSGSERMSBJ-NSHDSACASA-N 263.385 3.703 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cc(F)cc(Cl)c1 350187045 IZEWBSJAHGOOGU-UHFFFAOYSA-N 297.761 3.931 30 20 CHED C=CCC[C@H](N[C@@H](C)C[C@H]1CCCO1)c1ccco1 353494561 CUWLYZXUEXJXCM-ZNMIVQPWSA-N 263.381 3.834 30 20 CHED Cc1ccc(-c2ncc(CN(C)CC(C)(C)C#N)s2)o1 354016752 CKEQAYPJRBZTGN-UHFFFAOYSA-N 289.404 3.693 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCCC2(CCCC2)C1)OCC 354239679 PDRXRTLOMAYTST-OAHLLOKOSA-N 279.424 3.541 30 20 CHED C=CC[C@@H](C)NC(=O)c1nc2ccccc2cc1Cl 354436906 SCWPANQRIDBITL-SNVBAGLBSA-N 274.751 3.583 30 20 CHED C=CCCC1(C(=O)N[C@@H](C)c2cc(F)ccc2OC)CC1 354605496 RLQYGXSPMZAQCL-LBPRGKRZSA-N 291.366 3.758 30 20 CHED C=CCOc1ccc(CNC(=O)C[C@@H]2C=CCCC2)cc1 355731574 QGQQVCYMCDSVCP-OAHLLOKOSA-N 285.387 3.614 30 20 CHED C[C@@H]1Cc2ccccc2CN1Cc1ccc(F)cc1C#N 357777781 BAUPHUFMMLIUFZ-CYBMUJFWSA-N 280.346 3.644 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC[C@H](C)SC 358394058 BTFVEPGMOJYULR-ZDUSSCGKSA-N 284.469 3.697 30 20 CHED C[C@@H](C[S@](=O)Cc1ccc(C#N)cc1)c1ccccc1 359412324 NTAAGGSEEBCLSD-XOBRGWDASA-N 283.396 3.611 30 20 CHED CSc1ccc(F)cc1CN[C@H]1CCC[C@H](C#N)C1 361441899 XJYOQIJZOBUPHN-FZMZJTMJSA-N 278.396 3.720 30 20 CHED C=CCCC(=O)Nc1ccc(-c2ccccn2)cc1 362266286 MKBKSOSJZGSDAV-UHFFFAOYSA-N 252.317 3.653 30 20 CHED CC(C)Oc1ccc(Cl)cc1NC(=O)CCCC#N 362284356 FGRZGPSCSUEVKC-UHFFFAOYSA-N 280.755 3.760 30 20 CHED C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccccn1 362402264 KOPRLOLJTWYQAV-ZDUSSCGKSA-N 298.411 3.851 30 20 CHED CC(C)(C#N)CCCN1CCC[C@@H](Oc2ccccc2)C1 369997645 PSHKNOLSYIXTPN-QGZVFWFLSA-N 286.419 3.860 30 20 CHED CC(C)(CCC#N)CN1CCC2(CC1)OCc1ccccc12 374253677 BAVFJLDBPLAXLY-UHFFFAOYSA-N 298.430 3.838 30 20 CHED C[C@H]1CCN(C(=O)NCC(C)(C)CCC#N)CC12CCC2 377015962 QOFZWTXFQANEIV-AWEZNQCLSA-N 291.439 3.538 30 20 CHED C=C(Br)CN(CC)c1ccccc1C 379618311 BILMRTWRMSNKNW-UHFFFAOYSA-N 254.171 3.730 30 20 CHED C#CCCSCc1ccc(Br)cc1 388667023 WWXLAZOZVUSAGK-UHFFFAOYSA-N 255.180 3.706 30 20 CHED C=CCCCCN[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 390725688 QXXWRICWXRATDJ-HNNXBMFYSA-N 296.455 3.722 30 20 CHED Cc1ccc(C)c(NCc2ccc(CC#N)cc2)c1 398953434 FUHQAPUHKQEDPQ-UHFFFAOYSA-N 250.345 3.982 30 20 CHED C[C@H](NCc1ccc(C#N)c(F)c1)c1cc(F)ccc1F 404566373 BXFYXIILMNPWGS-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=CC[C@@H](CC)NC(=O)[C@H](C)Cc1ccc(Cl)cc1 410128429 SFARVJFCVHLOBJ-IUODEOHRSA-N 279.811 3.990 30 20 CHED C=CCCCCCN(C)[C@H](C(=O)OC)c1ccsc1 410377428 BGFUGOATCZKHDZ-AWEZNQCLSA-N 281.421 3.640 30 20 CHED CCCC(CCC)C(=O)N[C@](C)(C#N)C(C)(C)C 410673756 KPDHGXWDGXNGEM-OAHLLOKOSA-N 252.402 3.647 30 20 CHED CCC[C@@H](CC(C)C)C(=O)N[C@](C)(C#N)CCSC 410856012 XLMSIKIJIPYREV-ZFWWWQNUSA-N 284.469 3.600 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)[C@H](C)C[C@H](C)C2 411006818 FCXKMFJGYGOZII-VHSXEESVSA-N 276.405 3.900 30 20 CHED C[C@H](CCC#N)N1CCC(C)(c2ccccc2)CC1 411398423 BUECOFCNIKZEAJ-OAHLLOKOSA-N 256.393 3.732 30 20 CHED C=C(C)[C@H](N[C@H](C)c1ccn(C)n1)c1ccc(F)c(F)c1 414125327 CSWSBWABMCOBTC-BZNIZROVSA-N 291.345 3.666 30 20 CHED C[C@H]1CCc2nc(CNc3ccccc3C#N)sc2C1 414313552 YMNZWDJVLGYFBE-NSHDSACASA-N 283.400 3.752 30 20 CHED C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 416107932 PKDDKHUDYJTNFN-QWQRMKEZSA-N 296.414 3.878 30 20 CHED C[C@H](Cc1cccc(Cl)c1)NCC1(C#N)CCC1 418136039 BVACIVIZFLKEMI-GFCCVEGCSA-N 262.784 3.554 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2cncc(C#N)n2)c2ccccc21 420621411 FTGNRFZDDMOIAA-HZPDHXFCSA-N 278.359 3.645 30 20 CHED CCC[C@H](NC(=O)NCc1ccc(C#N)s1)C(C)(C)C 420842087 LCZAQJXSYWSXMX-ZDUSSCGKSA-N 293.436 3.634 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccc(F)cc3)o2)C1 424191431 HLQDSSPEOOZQAC-SWLSCSKDSA-N 284.334 3.868 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCC(OCCC(C)C)CC1 424611627 XMXYRUQNPZOWBD-UHFFFAOYSA-N 281.440 3.642 30 20 CHED C[C@H](Nc1ncc2c(c1C#N)CCC2)c1cccs1 425197422 BXQUXRVWLYJAAK-JTQLQIEISA-N 269.373 3.677 30 20 CHED CCS[C@H]1CCC[C@@H]1Nc1ncc2c(c1C#N)CCC2 425236575 QICXEJIBEZFTKY-GJZGRUSLSA-N 287.432 3.528 30 20 CHED C=C[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1Cl 426550292 ARVWYTDBSCRXRR-CYBMUJFWSA-N 295.810 3.898 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1cc2ccc(OCC)cc2[nH]1 428038902 PDEFMHBLTYVCDH-CQSZACIVSA-N 298.386 3.747 30 20 CHED Cc1cccc(-n2ccnc2S[C@H]2CC[C@@H](C#N)C2)c1 430102309 AAMATCRGOWEHIT-HIFRSBDPSA-N 283.400 3.965 30 20 CHED C=CC1CCN(C(=O)c2ccc3nc(C)sc3c2)CC1 431829703 YMNYFSPKQBVXSC-UHFFFAOYSA-N 286.400 3.643 30 20 CHED C=CCCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 432717170 KROSTJVOJFSASX-UHFFFAOYSA-N 291.354 3.930 30 20 CHED CC#CCCNC(=O)Nc1ccccc1-c1csc(C)n1 433778262 VVLYLARAXQESJG-UHFFFAOYSA-N 299.399 3.653 30 20 CHED COc1ccccc1[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccco1 442841736 ASHRDUGMLKYKAR-IYOUNJFTSA-N 296.370 3.659 30 20 CHED COCCCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 442867994 BIGWSTHQLDMBCL-JQHSSLGASA-N 286.419 3.826 30 20 CHED CC1(C)CCCN(Cc2cccc(Cl)c2)[C@H]1C#N 444718048 NXICDPCYPCHMOJ-AWEZNQCLSA-N 262.784 3.854 30 20 CHED C=CC[C@@H]1N(C[C@H]2CCCCO2)CCCC1(C)C 444779012 XCZKWKWAJXBWAE-CABCVRRESA-N 251.414 3.622 30 20 CHED C=CCC1(C(=O)NCCOC2CCCC2)CCCCC1 448749028 MRGMYABSDBIQFZ-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=C(C)CCNCc1ccc(OCc2ccncc2)cc1 449470128 ACNNSRNRLVKKLE-UHFFFAOYSA-N 282.387 3.716 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C 451640198 CROUNKJKBLENHF-GDBMZVCRSA-N 271.404 3.993 30 20 CHED C=CCC[C@H](CO)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 453360840 PULFBENQESDCLJ-GOEBONIOSA-N 291.435 3.842 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(c2)CC[C@@H]3N(C)C)CCC1 456303440 GXUJGBPIHAPTHW-KRWDZBQOSA-N 298.430 3.920 30 20 CHED C=CCC1(NC(=O)[C@H]2Cc3ccccc32)CCCCC1 456358457 AUZFEXBGYPOKOT-INIZCTEOSA-N 269.388 3.722 30 20 CHED Cc1ccc(C(=O)Nc2cccc(CC#N)c2)c2c1CCC2 456743436 GFFFOQRUCHENEE-UHFFFAOYSA-N 290.366 3.802 30 20 CHED C=C(CC)CNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 456829615 OWFUDGXSWRWXEU-KGLIPLIRSA-N 297.320 3.891 30 20 CHED Cc1cc(C#N)cc(NC(=O)C2=CC[C@@H](C)CC2)c1 456974655 XWIVSBQCFIFVMK-LLVKDONJSA-N 254.333 3.552 30 20 CHED N#CC[C@H](CC(=O)N[C@@H](C1CCC1)C1CC1)c1ccccc1 457250613 PWVHSRVISMRWMO-MJGOQNOKSA-N 296.414 3.769 30 20 CHED C=CCCO[C@H](C)C(=O)N1CC[C@H](C)C2(CCCCC2)C1 463037784 NPYDGIIZUFBCCU-JKSUJKDBSA-N 293.451 3.787 30 20 CHED Cc1cc(Cl)cc(C(=O)N[C@](C)(C#N)C(C)(C)C)c1 464162709 CWGXJIMYQQBOFX-OAHLLOKOSA-N 278.783 3.707 30 20 CHED C=CC[C@@H](CC)NC(=O)N(CC=C)CCc1ccccc1 466366957 NQQWRAHXCAUEQA-QGZVFWFLSA-N 286.419 3.781 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)CCSCC 466376482 IWWSMGPWYRWVDE-STQMWFEESA-N 272.458 3.514 30 20 CHED C=C(C)C[C@H](C)C(=O)Nc1cnn(CCC(C)C)c1C 466660413 XSPLLMDPCHLCBM-ZDUSSCGKSA-N 277.412 3.778 30 20 CHED C=C[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C 466831950 OVSTYSXERJEXHK-SQWLQELKSA-N 272.392 3.539 30 20 CHED CCC[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 466833992 WWFCVUQEUDCHGJ-NSHDSACASA-N 263.772 3.623 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCC/C=C/CC 467299660 MAVXAGPVIDHFJS-MYSGNRETSA-N 267.438 3.665 30 20 CHED CC(C)(C)[C@@H]1C[C@H](NCCc2cccc(C#N)c2)CS1 467541269 DWAIHGHZWZTTIB-HOTGVXAUSA-N 288.460 3.611 30 20 CHED CCCCOc1ccccc1CN(CCC#N)CC1CC1 468407122 DXWIAFGORSUDOE-UHFFFAOYSA-N 286.419 3.991 30 20 CHED COCCOc1ccc(C#N)cc1N[C@H](C)CCC1CC1 469804689 QWQUWFKTSZQIIK-CYBMUJFWSA-N 288.391 3.574 30 20 CHED C=CCCCCNC(=O)N[C@H](c1ncccc1C)C(C)C 472838848 WXXKSLFTDGWQJB-HNNXBMFYSA-N 289.423 3.743 30 20 CHED C=CCOCCCOc1ccc(-c2c(C)noc2C)cc1 478829036 VNPSHBPWMBWAKS-UHFFFAOYSA-N 287.359 3.930 30 20 CHED N#Cc1cc(Cl)ccc1CNC1(c2ccccc2)CC1 480878745 RVQGONSBDBFSKP-UHFFFAOYSA-N 282.774 3.991 30 20 CHED CC#CCCNC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 483424055 VHCINDGSCRTANK-QZTJIDSGSA-N 298.430 3.686 30 20 CHED C=CC[C@H](C)NC(=O)Nc1ccc(C(=O)C2CCC2)cc1 486989346 LSBILAATROKLSN-LBPRGKRZSA-N 286.375 3.756 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1 488878576 MSTZIZRVDXBWMM-NSHDSACASA-N 267.731 3.660 30 20 CHED C=CCC[C@@H](C(=O)N(C)[C@@H]1CC1(C)C)c1ccccc1 489360978 SNEZLOWMOUPDEJ-HZPDHXFCSA-N 271.404 3.993 30 20 CHED C=CC[C@@H](C(=O)N1CC[C@](C)(CC)C1)c1ccccc1 489713425 ALVQXQLICXQJQC-AEFFLSMTSA-N 271.404 3.995 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc2c(c1)CCCCC2=O 489879790 BPKXAPZIMRKKBL-UHFFFAOYSA-N 299.414 3.928 30 20 CHED C=CCC[C@@H](C)Nc1cc(NC(=O)NCC)ccc1C 494512224 QBSDXFRKGLHNJA-CYBMUJFWSA-N 275.396 3.903 30 20 CHED C=CCN(CC1CCCCC1)C[C@H]1CCSC1 494932148 CHPIFRYVOVNBBK-OAHLLOKOSA-N 253.455 3.808 30 20 CHED CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)cc2)C1 505094763 VELFLGLPULHTMW-HOTGVXAUSA-N 270.376 3.503 30 20 CHED C[C@@H](C#N)CN(C)CC(c1ccccc1)c1ccccc1 507584513 RJZHHCRRYJAZEL-INIZCTEOSA-N 278.399 3.910 30 20 CHED C[C@H]1CCCC[C@H]1OCCNc1cccc(F)c1C#N 515550419 KTYCCCBWYGKDIE-BLLLJJGKSA-N 276.355 3.705 30 20 CHED C=CCC1(c2nc(C3(COC)CCCCC3)no2)CCC1 518014460 HHIXTGWRNUCHBN-UHFFFAOYSA-N 290.407 3.916 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC=C(c2ccccc2)C1 521919040 UDVOJJHSAHWPMU-KRWDZBQOSA-N 284.403 3.840 30 20 CHED C=CCCC1(C(=O)NC2CC(OCc3ccccc3)C2)CC1 527256204 IJJBXRIOQXPKEK-UHFFFAOYSA-N 299.414 3.597 30 20 CHED CCC[C@H](C(=O)N1CC(C)(C#N)C1)c1cccc(Cl)c1 529235362 YUFOWCVEFYXDNL-AWEZNQCLSA-N 290.794 3.596 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cnc2ccsc2c1 531082352 AMLBBJIXYDABBP-UHFFFAOYSA-N 293.351 3.729 30 20 CHED C[C@H](CC(=O)Nc1cc(CC#N)ccn1)C1CCCCC1 531669909 VKNGHZIQBOJQRS-CYBMUJFWSA-N 285.391 3.693 30 20 CHED C=CCC[C@H](NCCc1cccc(OC)c1OC)C1CC1 533040293 ONKXOHYRKAJKCF-INIZCTEOSA-N 289.419 3.581 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1 537230797 LZGCKOMPHQVNLW-LSDHHAIUSA-N 275.392 3.623 30 20 CHED N#CCC1CCN(CCCSCc2ccccc2)CC1 541025378 ZCEWXXVCMXFSME-UHFFFAOYSA-N 288.460 3.936 30 20 CHED CCC(C)(C)OCc1cccc(N[C@@H](C#N)COC)c1C 542189338 RVWNRETXBJMACP-HNNXBMFYSA-N 290.407 3.651 30 20 CHED C=CC[C@@H](C)[C@H](C)NCCc1ccc(F)c(F)c1F 543412957 VRJJYTPJPIGMEJ-MNOVXSKESA-N 271.326 3.837 30 20 CHED C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](SCC)C1 551707183 WDFJCPMGFNKDKB-QWHCGFSZSA-N 269.454 3.769 30 20 CHED N#CC1(COc2ccc(OCC3CC3)c(Cl)c2)CC1 558846255 BBBNJJZDGFWYNJ-UHFFFAOYSA-N 277.751 3.811 30 20 CHED C=CCC(C)(C)c1noc(CCc2ccc(F)cc2)n1 560029674 XBZQSGGTURHFNV-UHFFFAOYSA-N 274.339 3.848 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNc2cccc(C#N)c2[N+](=O)[O-])o1 560193611 VYFQNTXLENDTID-GXFFZTMASA-N 297.314 3.795 30 20 CHED CN(Cc1c(Cl)cccc1Cl)c1cc(C#N)ccn1 561159879 UXNHAROEFMZLKL-UHFFFAOYSA-N 292.169 3.896 30 20 CHED N#Cc1ncccc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 562239346 QEOODGUJJJRPQB-GHMZBOCLSA-N 283.297 3.734 30 20 CHED N#Cc1nccnc1N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 563320497 PRIARPSXNAYRLU-TZMCWYRMSA-N 298.777 3.750 30 20 CHED Cn1ncc2ccc(CNc3ccc(C#N)c(Cl)c3)cc21 564639875 MUZYJFLSOIFNME-UHFFFAOYSA-N 296.761 3.710 30 20 CHED C=CCOc1cccc(CN2CCCC[C@H]2c2cc[nH]n2)c1 567520460 QLRRYNVDTQFHTE-SFHVURJKSA-N 297.402 3.702 30 20 CHED CCC(C)(C)c1ccc(NC(=O)NCC2(C#N)CC2)cc1 568708227 NBOMRFLFMYGMLH-UHFFFAOYSA-N 285.391 3.799 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2c(C)cccc21 569782798 ZSXJYPXANFGOKF-WMLDXEAASA-N 284.403 3.732 30 20 CHED C[C@H](Nc1ccc(F)cc1C#N)[C@H](c1ccccc1)N(C)C 570671924 BHHPSQMMWKRJEP-SCLBCKFNSA-N 297.377 3.801 30 20 CHED C=C(C)CCNC(=O)Nc1ccc(OC(C)C)cc1C 571257833 QUOHONBHTLWTLA-UHFFFAOYSA-N 276.380 3.870 30 20 CHED C=CCCCN1CC[C@](F)(c2cc(F)cc(F)c2)C1 571585743 AJYHYOQQXNZJGD-OAHLLOKOSA-N 269.310 3.802 30 20 CHED C=CCCNc1cnn(-c2ccccc2)c1C(C)C 571847831 MOKMOCHLJDNPJA-UHFFFAOYSA-N 255.365 3.984 30 20 CHED Cc1ncc(-c2ccccc2)cc1NC(=O)[C@]1(C#N)C[C@@H]1C 576789749 QEKNOIGPBUJHSN-SGTLLEGYSA-N 291.354 3.545 30 20 CHED CC1(C)CCC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl 578393632 JPSDFJBZSVWSMU-GFCCVEGCSA-N 290.794 3.768 30 20 CHED C[C@H]1C[C@]1(C#N)C(=O)N(C)c1ccc(-c2ccccc2)cc1 582885789 GPOVZPGHSMRNLP-IFXJQAMLSA-N 290.366 3.866 30 20 CHED CN(Cc1ccc(C(F)(F)F)cc1)c1ccnc(C#N)c1 586964597 NDYICXPXJQXZLC-UHFFFAOYSA-N 291.276 3.608 30 20 CHED C/C(=C/C(=O)OC(C)(C)C#N)c1cccc(C(F)(F)F)c1 588402252 IDDFVYHKLNAURZ-YFHOEESVSA-N 297.276 3.954 30 20 CHED CC(=NOC1CCCC1)c1ccc(NC(=O)C2CC2)cc1 588450943 QARKCEFPUBTYPE-UHFFFAOYSA-N 286.375 3.718 30 20 CHED CCc1ccc([C@H](C#N)NC(=O)CC(C)(C)CC)cc1 589080618 FRWDQQNYDSXDMX-HNNXBMFYSA-N 272.392 3.756 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H](C3CCC3)C2)cc1 591126758 SZZJJYXBWMRNQG-MRXNPFEDSA-N 296.414 3.750 30 20 CHED CC[C@@H](CC#N)NC(=O)CCCc1ccc(SC)cc1 592789236 AQMPPMAQPWVUBJ-AWEZNQCLSA-N 290.432 3.540 30 20 CHED CC(C)[C@H](C#N)NC(=O)CCCc1ccc2c(c1)CCCC2 593112263 DIIGKNBCVRIAMY-SFHVURJKSA-N 298.430 3.552 30 20 CHED CC[C@H](C#N)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 593520112 JSGIWXGHCVXPIC-YGRLFVJLSA-N 294.345 3.718 30 20 CHED CC(C)(C)c1nnc(SCCc2ccc(C#N)cc2)o1 594886536 WAPKEZLYXPXOGO-UHFFFAOYSA-N 287.388 3.574 30 20 CHED COc1ccc(OCCSCC2(CC#N)CC2)cc1 594888275 VMALIXYSHKVLPO-UHFFFAOYSA-N 277.389 3.501 30 20 CHED CCOc1cc(N[C@H](CCC#N)c2ccccc2)nc(C)n1 596171383 LXHPSZVCYYDYJE-OAHLLOKOSA-N 296.374 3.641 30 20 CHED Cc1cc(C#N)cc(C)c1OCc1cc(C2CC2)no1 596260685 JUSMKHKUMNPBRY-UHFFFAOYSA-N 268.316 3.620 30 20 CHED N#Cc1cccc(S[C@@H]2CCc3ccccc3C2)n1 596364303 MZRUAYHTIYLQQG-OAHLLOKOSA-N 266.369 3.603 30 20 CHED Cc1ccc(Cl)c(NC(=O)N2CCC[C@H](CC#N)C2)c1 596793358 GYLOQMVNBKRWMQ-GFCCVEGCSA-N 291.782 3.806 30 20 CHED CSc1cc(Cl)ccc1NC(=O)N(C)C[C@@H](C)C#N 596977492 MEDKTKHYUCHBKD-VIFPVBQESA-N 297.811 3.685 30 20 CHED Cc1cccc2[nH]c(CN(CCC#N)C(C)C)cc12 596988531 ZGLZHQFGFMWRAY-UHFFFAOYSA-N 255.365 3.600 30 20 CHED Cc1ccccc1N(C)C(=O)[C@H](C#N)CCc1ccccc1 598913915 ZAGCKLMHVHRCMH-KRWDZBQOSA-N 292.382 3.730 30 20 CHED COc1ccc(-c2cccc(CNC(C)C)c2)c(C#N)c1 600790409 KOOOQMOYEURXCA-UHFFFAOYSA-N 280.371 3.732 30 20 CHED CCCOc1cccc(-c2cn([C@@H]3CC[C@@H](C#N)C3)nn2)c1 600974116 VTCDOKKERXGPKV-UKRRQHHQSA-N 296.374 3.599 30 20 CHED C[C@@H](CCC#N)CN1C[C@H]2CCCCN2c2ccccc21 602677096 SDRFCHQRRIJYCH-JKSUJKDBSA-N 283.419 3.805 30 20 CHED CC(C)(CCC#N)CNC(=O)Nc1cscc1Cl 603168353 CGRSRZKWRFMYSS-UHFFFAOYSA-N 285.800 3.853 30 20 CHED N#Cc1cccc(CNC2(c3ccc(F)cc3)CCC2)c1 604564809 MRQFLAVQBGFCCP-UHFFFAOYSA-N 280.346 3.866 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(OCCCCC)cc1 604881192 KRGKQQSSBQCAHK-AWEZNQCLSA-N 275.392 3.950 30 20 CHED N#Cc1cc(NC(=O)c2cc3occc3s2)ccc1F 609857662 RFVRJMPOALLMAH-UHFFFAOYSA-N 286.287 3.757 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 609890676 KAGDGEZHPYCEOB-HZSPNIEDSA-N 255.365 3.724 30 20 CHED C[C@H](NCc1cccc2[nH]ccc12)c1cccc(C#N)c1 610344656 CYDLRQSFGFSWJC-ZDUSSCGKSA-N 275.355 3.890 30 20 CHED C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 610407256 SNRKQQNXLUGKPT-KEYYUXOJSA-N 299.418 3.839 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C[C@H]1CCc2ccccc21 610577745 KTQGIGBEYNVISV-CYBMUJFWSA-N 294.329 3.756 30 20 CHED CCCCc1ccc([C@@H](C)NC2CCN(CC#N)CC2)cc1 610812717 KZCHXGSNYNYXKA-MRXNPFEDSA-N 299.462 3.668 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 611115195 SWACBHISJVUUDN-KLHDSHLOSA-N 276.424 3.647 30 20 CHED C[C@H](NCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 611433174 OWLQMSFCZAMTDF-VIFPVBQESA-N 269.175 3.948 30 20 CHED Cc1c(C#N)c(NC(=O)[C@H]2C[C@@H]2C)n(-c2ccccc2)c1C 611466852 WIJJDBPVDURSKB-NHYWBVRUSA-N 293.370 3.560 30 20 CHED CCCCN(C(=O)c1c[nH]c(C#N)c1)[C@H](C)c1ccc(C)o1 611471948 LKDDKNDFKDUKEY-CYBMUJFWSA-N 299.374 3.791 30 20 CHED CCCCN(C(=O)NC[C@@H](C)C#N)[C@H](C)c1ccc(C)o1 611632871 MXDMUEHWTVVDNF-GXTWGEPZSA-N 291.395 3.620 30 20 CHED Cc1noc(C)c1[C@@H](C)Nc1ncc(Cl)c(C)c1C#N 612079550 WGANZPPENBVEEY-MRVPVSSYSA-N 290.754 3.693 30 20 CHED Cc1ccc2[nH]c(C(=O)N3CCC[C@](C)(C#N)C3)cc2c1C 612364192 FUUDNLIMBGNZOX-GOSISDBHSA-N 295.386 3.551 30 20 CHED CC(C)(C)c1ccc(C#N)c(N2CC[C@H]3CCC[C@@H]32)n1 614528968 UZSBDAGBEYXFGO-OCCSQVGLSA-N 269.392 3.630 30 20 CHED CC1(C)CCCN(C(=O)C[C@H]2CCc3ccccc32)[C@H]1C#N 617987526 APHHNMAXVVHQGC-WBVHZDCISA-N 296.414 3.647 30 20 CHED C=C1CCN(C(=O)CCc2ccccc2C(F)(F)F)CC1 630931163 NTJABJGBJMGXDW-UHFFFAOYSA-N 297.320 3.817 30 20 CHED C=C1C[C@@H]2CC[C@H](C1)N2Cc1cccc(C(=O)O)c1Cl 659802305 SGTFNBCKKUYMEW-BETUJISGSA-N 291.778 3.721 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@H](C2CCC2)C2CC2)C1 661300872 UYCDLQOLOXFEDX-XJKSGUPXSA-N 276.424 3.563 30 20 CHED C=CCCN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 661428417 ORNOPVHZNIJJAK-MRXNPFEDSA-N 279.811 3.597 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1ccc(NC(C)=O)cc1 665322006 VXHXOJWRPXHRSK-UHFFFAOYSA-N 289.379 3.511 30 20 CHED C=CCC1(N[C@@H](C)CCc2ccccc2)CCOCC1 668552904 VYMKXBBPJNDKEX-INIZCTEOSA-N 273.420 3.723 30 20 CHED Cc1coc(C)c1C(=O)[C@H](C#N)c1ccc2ccccc2n1 671278966 RBVLCUSYZYXTIC-CQSZACIVSA-N 290.322 3.935 30 20 CHED C=C(C)CN(C)Cc1ccc(OC)c(O[C@H](C)CC)c1 679360284 OPRHMVMZRDKQFY-CQSZACIVSA-N 277.408 3.880 30 20 CHED C[C@H](CCC#N)CN1CCC[C@H]1CC(=O)c1ccccc1 683889844 QMJUUCZOLYXIRE-WBVHZDCISA-N 284.403 3.664 30 20 CHED CC[C@@H](C)CC(=O)Nc1ccc(Br)c(C#N)c1 690186811 SNURTYWADQCTKG-SECBINFHSA-N 295.180 3.695 30 20 CHED CSCCCCCCN[C@H](C)CC(C)(C)C#N 695864167 LMFFRFVSXGGUBF-CYBMUJFWSA-N 256.459 3.828 30 20 CHED CC[C@H](C)CCNc1ncc(Br)cc1C#N 696189399 IGEBEAPTBVDXLJ-VIFPVBQESA-N 282.185 3.564 30 20 CHED CC(C)C[C@H](C)CC(=O)OCc1ccc(F)cc1C#N 728631619 YOYRWUQYMZABPL-LBPRGKRZSA-N 277.339 3.813 30 20 CHED C#Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 728799374 WMKGZMJZXQAGRO-UHFFFAOYSA-N 291.137 3.622 30 20 CHED Cc1ccccc1-c1cccc(C=NNc2cnccn2)c1 729635072 ASLPNRWFFWETMX-UHFFFAOYSA-N 288.354 3.898 30 20 CHED Cc1ccccc1-c1cccc(C=NNc2ncccn2)c1 729635247 KIBVUXKOIAVTJP-UHFFFAOYSA-N 288.354 3.898 30 20 CHED Cc1ccsc1/C=C/C(=O)c1csc(C(=O)O)c1 730149652 YLKVZWOHWHVMPJ-NSCUHMNNSA-N 278.354 3.712 30 20 CHED C=C(Cl)COC(=O)c1ccc(Cl)c(Cl)c1O 730361147 XXPZINQMJVCPLN-UHFFFAOYSA-N 281.522 3.608 30 20 CHED COCC(CC(C)C)=NNc1ncc(Cl)cc1Cl 730726864 FCCROJXEBKCOGC-UHFFFAOYSA-N 290.194 3.849 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C1/COc3ccc(F)cc31)C2 730949646 ZEXWGYJCCWTMFP-NXVVXOECSA-N 280.298 3.719 30 20 CHED CC(CCc1cccc(F)c1)=NNc1ccc(F)cn1 731321802 OXTYJZBKERDHSG-UHFFFAOYSA-N 275.302 3.780 30 20 CHED CCCCCCCCCc1nc(-c2ncccn2)no1 731795678 MMFLRQFNCYQWAL-UHFFFAOYSA-N 274.368 3.820 30 20 CHED COc1ccc(O)c(/C=N\C[C@@H]2CCc3ccccc32)c1 731937771 NLSKVEFJTLTJIM-YQNUULROSA-N 281.355 3.550 30 20 CHED CCCCC(CC)=NNc1cnnc2ccccc12 733748469 YUXQNDVTXUWHCZ-UHFFFAOYSA-N 256.353 3.998 30 20 CHED C=CCSCc1c(F)c(F)c(F)c(F)c1F 734158063 IZHPHTYHPYDQJC-UHFFFAOYSA-N 254.223 3.801 30 20 CHED C=CC[C@@H](NC(=O)CCc1ccsc1)c1ccncc1 734235061 BWHAFLRROQHDCS-OAHLLOKOSA-N 286.400 3.509 30 20 CHED Cc1ccccc1C=NNc1cc(F)c(F)cc1F 734301746 NHILQHUEIJHSET-UHFFFAOYSA-N 264.250 3.858 30 20 CHED C=CC[C@@H](NC(=O)C[C@H](C)CC(C)C)c1ccncc1 734456846 DMPGJHUXLSRPLX-GDBMZVCRSA-N 274.408 3.887 30 20 CHED Cc1ccc(F)c(/C=C2/Oc3ccc(F)cc3C2=O)c1 734979585 AYIHWEICXOETJQ-VIZOYTHASA-N 272.250 3.889 30 20 CHED N#Cc1ccc(NC(=O)/C=C\C2CCCCC2)cc1 735421510 ZVIUAXXJEQXDRX-FLIBITNWSA-N 254.333 3.633 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1 739461389 XJAZJARTFAAYKF-VIKVFOODSA-N 286.444 3.779 30 20 CHED C[C@H](C/N=C\c1cccc(O)c1O)Sc1ccccc1 743044786 RAINWVOEJADCSB-ZSAINHDTSA-N 287.384 3.698 30 20 CHED C=C(Cl)CNC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 743620472 NJRXPPNOSAZPKX-WFASDCNBSA-N 292.810 3.574 30 20 CHED C=CCN(CCc1ccccc1)C(=O)C=C1CCCC1 743684024 PDIHSFMWMGUIRC-UHFFFAOYSA-N 269.388 3.744 30 20 CHED Cc1ccc(N(Cc2cccs2)C(=O)[C@H](C)C#N)cc1 746246165 YXILXZBLERPXGO-CYBMUJFWSA-N 284.384 3.749 30 20 CHED CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(C)o1 747642403 OMYMHOGJMDGBST-UHFFFAOYSA-N 268.238 3.841 30 20 CHED C[C@@H]1CC(=NNc2cnc3ccccc3n2)C[C@H](C)C1 747751922 TWYLTOQCQQZLNP-TXEJJXNPSA-N 268.364 3.854 30 20 CHED Cc1cc(C#N)ccc1COC(=O)c1coc2ccccc12 748906164 IAJILXBBGOBDSH-UHFFFAOYSA-N 291.306 3.970 30 20 CHED CC(=NOCC(C)C)c1ccc(NC(=O)NC(C)C)cc1 749630922 CTDMOUDSZPKYBT-UHFFFAOYSA-N 291.395 3.613 30 20 CHED C/C=C(/C=C\C(=O)OCc1ccc(CC#N)cc1)CC 750814296 SCECCTCBAQZPIE-JXPHJQCQSA-N 269.344 3.708 30 20 CHED C=CCCC(CC)=NNC(=S)Nc1ccccc1 750919180 XGQCOVUDVNTNPU-UHFFFAOYSA-N 261.394 3.705 30 20 CHED CC(C)(C)c1ccc(/C=C/C(=O)c2ccnc(O)c2)cc1 752879347 UIOFUWUSRCHRMY-RMKNXTFCSA-N 281.355 3.981 30 20 CHED C(=NN=C1c2ccccc2-c2ccccc21)C1CCOCC1 755612566 NRVCUSLDDNWUMX-UHFFFAOYSA-N 290.366 3.917 30 20 CHED C#CC[C@@H](Nc1ccnc(C(C)C)n1)c1ccccc1 756957259 NKULJLNVGMZOQE-OAHLLOKOSA-N 265.360 3.777 30 20 CHED COc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)c(O)c1 757471636 HYUVWLDEPFFNAQ-XVNBXDOJSA-N 290.265 3.575 30 20 CHED N#Cc1cccc(C(=O)/C=C\c2nc(Cl)cs2)c1 759077227 SSICRQXEJIJZMU-PLNGDYQASA-N 274.732 3.564 30 20 CHED Fc1c(Cl)cccc1C=NNc1ncccc1Cl 759651888 ASDAOGJKWKWARG-UHFFFAOYSA-N 284.121 3.974 30 20 CHED C#CCCNc1ccc(OCC)cc1C(F)(F)F 760291546 MPFHMDOAFMXFBV-UHFFFAOYSA-N 257.255 3.539 30 20 CHED C=CCCCc1nc(Cc2ccc(OC(C)C)cc2)no1 761673205 DZFLAPZEPRGTND-UHFFFAOYSA-N 286.375 3.956 30 20 CHED C#CCCc1noc(-c2cncc(-c3cccc(C)c3)c2)n1 762012141 USJSRXBEABQVQB-UHFFFAOYSA-N 289.338 3.673 30 20 CHED C[C@@H](NN=Cc1c[nH]c2cccc(F)c12)c1ccccc1 763355748 HBLGMQKGDDRJFK-GFCCVEGCSA-N 281.334 3.992 30 20 CHED COc1ccc(C)cc1C(=O)/C=C/c1sccc1OC 764433301 QJDHIEBINFBMSK-FNORWQNLSA-N 288.368 3.970 30 20 CHED C#CCN(C(=O)N[C@H](CC(C)(C)C)c1ccccc1)C1CC1 764676045 DSQXXDPRBQBTFQ-QGZVFWFLSA-N 298.430 3.971 30 20 CHED Clc1cccc(Cl)c1NN=C1CCN2CCC[C@H]12 765585341 ZBDDRSRTLGYGFR-GFCCVEGCSA-N 284.190 3.629 30 20 CHED C#CCCCSc1nc2cc(Cl)ccc2o1 766284701 OHVDAOPPIZABAH-UHFFFAOYSA-N 251.738 3.987 30 20 CHED CCN(CC)c1ccc(CNc2nc(C)ccc2C#N)cc1 766400365 DESNFABZAOEMKN-UHFFFAOYSA-N 294.402 3.720 30 20 CHED CCC[C@H](C(=O)Oc1ccc(C#N)c(OC)c1)C(C)C 767153514 CYCVLTSZFZYOIQ-AWEZNQCLSA-N 275.348 3.545 30 20 CHED C/C=C(/C=C\C(=O)OCc1ccc(F)cc1C#N)CC 767664330 NDLLKNYKFGOIRE-MLJMVLIVSA-N 273.307 3.653 30 20 CHED CC#CCCCC(=O)OCc1nc(-c2ccccc2)oc1C 767668321 PIPFDSXHDBEYDL-UHFFFAOYSA-N 297.354 3.887 30 20 CHED CCC(C)(CC)C(=O)O[C@@H](C)c1cccc(C#N)c1 767968271 LZRABTVGKLZLDV-LBPRGKRZSA-N 259.349 3.989 30 20 CHED CCCCCCCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 770110431 CVLSCXPWLOOWJO-IBGZPJMESA-N 298.430 3.914 30 20 CHED CCCC(=CC(=O)N[C@@H](C#N)CC(C)C)CCC 770735095 ZABBUXWSVKNEFW-CQSZACIVSA-N 250.386 3.567 30 20 CHED Cc1c(Nc2snc(Cl)c2C#N)cnn1CC(C)C 771259156 SUUPEUXQHLXPFH-UHFFFAOYSA-N 295.799 3.573 30 20 CHED O=C(OCC#Cc1ccc(F)cc1)c1ccc2[nH]ccc2c1 771356321 NQFKQNYBYGGPMV-UHFFFAOYSA-N 293.297 3.516 30 20 CHED Fc1ccc(C=NOCC(F)(F)F)c(C(F)(F)F)c1 771886620 XMGUJNVGWVQFLC-UHFFFAOYSA-N 289.150 3.757 30 20 CHED CCc1c(C(=O)/C=C\c2ccn(C)n2)oc2ccccc12 773154852 NNAAOCNDRMDOBV-HJWRWDBZSA-N 280.327 3.625 30 20 CHED C=CCOc1cccnc1C(=O)OCCCC1CCCC1 775120064 RWGWFJPSAMMEFA-UHFFFAOYSA-N 289.375 3.774 30 20 CHED O=C(/C=C\c1nc2c(s1)CCCC2)c1ccsc1 776266381 QIQVPYHOTVIEBS-WAYWQWQTSA-N 275.398 3.980 30 20 CHED CCCCCCCCOC(=O)[C@@H]1CCO[C@@H](C)C1 776422236 XXGMXOMCQCBJIO-UONOGXRCSA-N 256.386 3.705 30 20 CHED N#CCc1ccccc1CC(=O)OCc1cccc(Cl)c1 777160972 JKKRKRBJUNQETC-UHFFFAOYSA-N 299.757 3.692 30 20 CHED CC(=NNc1cc(Cl)ccn1)c1cccs1 777912704 CGJLLWAHMZZHIR-UHFFFAOYSA-N 251.742 3.633 30 20 CHED C#CCCCCN[C@H](CCc1ccccc1)C(F)F 779412127 JFWVMCWVMSZFDO-OAHLLOKOSA-N 265.347 3.646 30 20 CHED C#CCCCCCC(=O)[C@H](C#N)c1nc2ccccc2o1 780318965 KITMYFHQOQUYRD-ZDUSSCGKSA-N 280.327 3.588 30 20 CHED C#CCCCCCC(=O)N(CCC)Cc1ccccc1O 780458326 QZGSZKBOHPGPSG-UHFFFAOYSA-N 287.403 3.715 30 20 CHED COc1ccc(C=NNc2nc(CC3CC3)cs2)cc1 780529374 XBGGUEVTIAQQOX-UHFFFAOYSA-N 287.388 3.550 30 20 CHED CCCCCCCCC(=O)N[C@@H](C)C1=CCN(C)CC1 781183608 JDLMWOQJVZKYJL-HNNXBMFYSA-N 280.456 3.504 30 20 CHED Cc1ccc(NC(=S)N2CCC(CC#N)CC2)c(C)c1 781547118 KGWSFJBPBQSGOM-UHFFFAOYSA-N 287.432 3.626 30 20 CHED Cc1cccc(C)c1OCC(=O)OCCCC(C)(C)C#N 782071199 OUVCGFPEQBIYHO-UHFFFAOYSA-N 289.375 3.555 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NNc1cccc(C#N)c1 782224982 FMZWDKNIZWOFSV-UHFFFAOYSA-N 292.317 3.933 30 20 CHED COc1cccc(C(=O)/C=C/c2scnc2C2CC2)c1 782302106 NWYMSDQCVSGFFC-BQYQJAHWSA-N 285.368 3.925 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(Cl)cn1 782644790 RYHQSMFLLHYWIP-XHDPSFHLSA-N 297.782 3.568 30 20 CHED CS[C@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 783765578 QVCAKGXGPUHWCL-AWEZNQCLSA-N 291.416 3.964 30 20 CHED COc1cc(C)c(C(C)=NOCc2cccnc2)cc1C 783857225 XKAXWHSPRSCLTL-UHFFFAOYSA-N 284.359 3.648 30 20 CHED C#CCC(C)(C)C(=O)NC[C@H](Cc1ccccc1)C(C)C 787517810 ABWCGKCXGQKVTL-KRWDZBQOSA-N 285.431 3.667 30 20 CHED C#C[C@@H](OC(=O)c1occc1C)c1ccc(Cl)cc1F 788153188 KCOMNLHKFZEHOA-CYBMUJFWSA-N 292.693 3.912 30 20 CHED COc1cccc(O)c1C=Nc1cccc2ccn(C)c12 788284993 NXGJWVSXPWAHEW-UHFFFAOYSA-N 280.327 3.643 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2ccccc2C#N)c(Cl)c1 788361179 WBQCYFDUROIGMY-VURMDHGXSA-N 292.725 3.979 30 20 CHED C#CCC1(C(=O)Nc2nc(C)c(C)s2)CCCCC1 788431402 RDXASFWHISYBRV-UHFFFAOYSA-N 276.405 3.672 30 20 CHED CCCCC(COC)=NNc1ccc(Cl)c(OC)c1 788467664 LRXRPEMJJDTFGV-UHFFFAOYSA-N 284.787 3.953 30 20 CHED CC(=NNc1cncc(Cl)n1)C1CCC(F)(F)CC1 788711662 GOGXNMPLZSPMTN-UHFFFAOYSA-N 288.729 3.743 30 20 CHED CC[C@H](C)NN=C(C)C[C@H]1CCCN1C(=O)OC(C)(C)C 790191491 ZEWHPBHHJSLAOZ-GXTWGEPZSA-N 297.443 3.540 30 20 CHED C#CCCCCNC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 792604744 YMWTVDWXRKAKAA-JKSUJKDBSA-N 283.415 3.896 30 20 CHED CC(=NNCc1c(Cl)cccc1Cl)c1cc(C)on1 793115271 QKIDXZREQPJHLP-UHFFFAOYSA-N 298.173 3.804 30 20 CHED COC(=O)C[C@@H]1CCC(=NNc2c(C)cccc2F)[C@@H]1C 794533966 CQDDQZIOGBGSTO-NEPJUHHUSA-N 292.354 3.511 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1oc2ccccc2c1C 794699877 UJBPHCPNASBMDH-HJWRWDBZSA-N 280.327 3.679 30 20 CHED Fc1ccc2c(c1)C(=NNc1ncccc1F)CCC2 794990574 PGWWGNFWDBDQNS-UHFFFAOYSA-N 273.286 3.512 30 20 CHED COCCCON=C(C)c1cc2ccccc2s1 795051493 SUPULNRCIYJVNI-UHFFFAOYSA-N 263.362 3.678 30 20 CHED CCCNc1ccc(C#N)cc1NC[C@H]1CC1(Cl)Cl 795268410 VQLDKXXKAIHTHL-LLVKDONJSA-N 298.217 3.986 30 20 CHED CC[C@H]1CCCC[C@@H]1C(=O)Oc1ccc(C#N)cc1 796506113 INVVZUZXIRZDFC-ZFWWWQNUSA-N 257.333 3.680 30 20 CHED CC(C)C[C@@H](C)C=NNc1nncc2ccccc12 799104856 XDZXMGXHGIZJBU-GFCCVEGCSA-N 256.353 3.710 30 20 CHED CCc1cccc(C)c1NN=C(C)C[C@@H]1CCOC1 799494078 AWLLWFJJGYTVBU-AWEZNQCLSA-N 260.381 3.772 30 20 CHED N#C[C@H]1CC[C@H](Nc2ccc(N3CCCCC3)cc2)C1 799720451 IKBJHMKZSVCKPQ-HOCLYGCPSA-N 269.392 3.781 30 20 CHED CC(=NNc1nncc2ccccc12)c1cc(C)c(C)o1 799866866 WZCPVOLXRDNRIX-UHFFFAOYSA-N 280.331 3.676 30 20 CHED CCCC[C@H](C)C(=O)[C@H](C#N)c1cnc2ccccc2n1 800409933 RYQRRAUXHCEWJI-QWHCGFSZSA-N 281.359 3.632 30 20 CHED C=CC[C@H](C)[C@H](C)NC[C@H](O)c1cc(C)cc(C)c1 800992852 UILQDVYAXCPTLM-ZOBUZTSGSA-N 261.409 3.527 30 20 CHED CC(C)c1[nH]ccc1C(=O)OCc1ccc(C#N)cc1F 803780824 ICUQDFFJMIFRAI-UHFFFAOYSA-N 286.306 3.506 30 20 CHED C=C(C)[C@@H](CC(=O)OCCc1ccccc1Cl)OCC 805516198 GWUPVNHEKPLTIU-OAHLLOKOSA-N 296.794 3.797 30 20 CHED CCCCC(COC)=NNc1ccc([N+](=O)[O-])cc1C 807989601 LEGXMNHGSXDYEA-UHFFFAOYSA-N 279.340 3.508 30 20 CHED CC(CC(C)(C)c1ccccc1)=NN[C@H]1CCSC1 808001459 CERQXLXKPOBBMN-HNNXBMFYSA-N 276.449 3.825 30 20 CHED Fc1ccc([C@@H]2CCCC2=NN[C@@H]2CCSC2)cc1 808002417 JVIGAPWAAOKKEU-KGLIPLIRSA-N 278.396 3.544 30 20 CHED C=C(C)CN(C)Cc1c(Cl)nc2cc(Cl)ccn12 809634696 LCQPSPPPIGOTIV-UHFFFAOYSA-N 284.190 3.649 30 20 CHED N#Cc1cccc(-c2nc(-c3cccc(C(F)F)c3)no2)n1 810309800 VTUXWRQIFQAMCZ-UHFFFAOYSA-N 298.252 3.608 30 20 CHED C#CC[C@@H](OC(=O)c1ccc(C(C)C)cn1)c1ccccn1 810570112 WFPNNKBTPGGIQA-QGZVFWFLSA-N 294.354 3.521 30 20 CHED N#Cc1cc(C(=O)OCc2cc(Cl)cc(Cl)c2)c[nH]1 811204514 USAOAKKKAUDLQC-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C#Cc1ccccc1CC(=O)N(Cc1ccccc1)C(C)C 811891048 KDRLNSYLABHWBD-UHFFFAOYSA-N 291.394 3.648 30 20 CHED C#C[C@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1 811945021 MZVHSYRAGYLSNP-HNNXBMFYSA-N 275.779 3.711 30 20 CHED N#Cc1ccc(NN=C2CC(c3ccccc3)C2)cc1 814803751 XQULCBPZADGACI-UHFFFAOYSA-N 261.328 3.904 30 20 CHED CC[C@H](C)CON=C1CC[C@H](C(=O)O)C(C)(C)[C@H]1C 814939058 CLHMVZLKZOYEIC-SDDRHHMPSA-N 269.385 3.562 30 20 CHED Cc1cc(C#N)cnc1C(=O)OCCCC1CCCCC1 815917103 VQVOWSNELXJUFR-UHFFFAOYSA-N 286.375 3.779 30 20 CHED CCCCCCC[C@H](C)NC1(COC)CCOCC1 816625610 JGOVIGJFKXZJCW-HNNXBMFYSA-N 271.445 3.521 30 20 CHED C=CCC(F)(F)C(=O)N1CCC(C)(C)c2ccccc21 816723724 HJCJGHNXRQWKGL-UHFFFAOYSA-N 279.330 3.912 30 20 CHED COC1([C@H](C)NCc2cc(C#N)ccc2F)CCCCC1 817581679 RJQTZQDWBDQARD-ZDUSSCGKSA-N 290.382 3.525 30 20 CHED C=CCCCC[C@@H](C)N[C@@H](CCO)c1cccs1 823911149 BWLDHECEOXOGFI-KGLIPLIRSA-N 267.438 3.896 30 20 CHED C[C@@H]1COCC[C@H]1Nc1ccc(OC(C)(C)C)c(C#N)c1 824722148 OFBJTUDUYCGLDR-IUODEOHRSA-N 288.391 3.572 30 20 CHED Cc1ccc([C@@H]2C[C@H]2Nc2nc(Cl)c(C#N)s2)cc1 826549102 YDCLYWVEAMCWJL-WDEREUQCSA-N 289.791 3.945 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(C)s1 830048491 OVRRABHRXUWADL-GFCCVEGCSA-N 281.446 3.738 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cnn(C)c1Cl)CC2 834430858 ZLXJONVFCWVIMC-WQLSENKSSA-N 286.762 3.594 30 20 CHED c1cncc(CON=C2CCc3ccccc3CC2)c1 834965494 BQLINRXWWBDWTG-UHFFFAOYSA-N 266.344 3.533 30 20 CHED C=C[C@@H](CC)OC(=O)Cc1scnc1-c1ccccc1 835274699 WGCWAPBRZGZKAM-ZDUSSCGKSA-N 287.384 3.860 30 20 CHED C=CC[C@H](OC(=O)[C@@H](CCC)OC)c1ccccc1 835324261 REVDYIMSRGNVJB-LSDHHAIUSA-N 262.349 3.662 30 20 CHED N#Cc1ccc(COC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)c(Cl)c1 835334556 FYEZVMUHJNCECG-SGMGOOAPSA-N 289.762 3.691 30 20 CHED C=CC(C)(C)CNC(=O)/C=C\c1cnc(C(C)(C)C)s1 836828584 MPHFQWIAFFNLIA-HJWRWDBZSA-N 292.448 3.782 30 20 CHED CCCN(C(=O)c1ccc(C#N)o1)c1ccc(CC)cc1 836851644 MAGXVOWZPXGBIJ-UHFFFAOYSA-N 282.343 3.770 30 20 CHED C=CCC[C@H](C(=O)NCc1coc(CC)n1)c1ccccc1 836979857 JDXQNMOVSMHJRI-INIZCTEOSA-N 298.386 3.603 30 20 CHED O=C(C#CC1CC1)N1Cc2ccccc2-c2ccccc2C1 837383688 DWBVVLBNINIXQE-UHFFFAOYSA-N 287.362 3.609 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)C#CC1CC1 837396386 IHFLGKBDYGYTJG-UHFFFAOYSA-N 279.792 3.804 30 20 CHED CC(C)(C)C#CC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 837458065 CCUXWRDZFQPTAI-VXGBXAGGSA-N 289.341 3.521 30 20 CHED C=C(C)CCOC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 838143730 HFMJRFGHMZQVGL-GFCCVEGCSA-N 289.158 3.536 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2ccc(Cl)s2)C1 839045029 XAEQKRYTYAHZJV-IUCAKERBSA-N 269.753 3.641 30 20 CHED C=C(Cl)CN[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 839556827 RJPWYXQEHJJMMJ-NSHDSACASA-N 291.782 3.702 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)c1ccc(C)o1 839892556 XMPBFQILXIHIEZ-NVXWUHKLSA-N 297.398 3.995 30 20 CHED CC[C@@H](C/N=C/c1c(O)cccc1OC)CC(F)(F)F 840712691 KUNCXRGYOPPAQT-SVXRXWARSA-N 289.297 3.798 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C(F)=C1CCCC1 841369208 XJSPMWXIFKDITD-INIZCTEOSA-N 298.361 3.849 30 20 CHED CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1ccn(C)n1 841617963 BMFMFGJSXSUVFK-ZDUSSCGKSA-N 284.407 3.618 30 20 CHED C[C@@H](COC(=O)CC1(C#N)CCCCC1)CC(F)F 851089033 SOGPCONJKDUDNT-LLVKDONJSA-N 273.323 3.685 30 20 CHED CC[C@@H](CC(F)(F)F)C(=O)O[C@@H](C)CC(C)(C)C#N 851205965 NCEVQVFPEWPLOJ-UWVGGRQHSA-N 279.302 3.837 30 20 CHED N#Cc1ccccc1SCCC1SCCS1 853017632 LJPYGSSTXVXTIF-UHFFFAOYSA-N 267.444 3.847 30 20 CHED CC1(C)C(=NNc2ncnc3ccsc23)[C@H]2CCC[C@H]21 853321335 LGJCUKMCFLJOBM-VHSXEESVSA-N 286.404 3.915 30 20 CHED C[C@H](C#N)c1ccc(-c2cnn([C@@H]3CCCCO3)c2)cc1 854209771 KFTFKZIKMUDPQJ-DYVFJYSZSA-N 281.359 3.876 30 20 CHED CCCCC[C@H](CC)C(=O)N1CCC[C@H](CC#N)C1 855254214 GNVQRWACEJHMED-CABCVRRESA-N 264.413 3.745 30 20 CHED CCCCCCCNC(=O)CSc1ccc(O)cc1 862358734 SZEICVSRFBEGDQ-UHFFFAOYSA-N 281.421 3.571 30 20 CHED CC(C)[C@H](Cc1ccccc1)NN=Cc1cnc(C2CC2)o1 863108776 QWXKWQAFNJSIHZ-KRWDZBQOSA-N 297.402 3.743 30 20 CHED C=CCNc1cccc(NC(=O)OC(C)(C)C)c1C 863356839 JGWPMUDANMAUBK-UHFFFAOYSA-N 262.353 3.940 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NN[C@H]1CCOC1(C)C 872381350 MLLGYHFNKUJINW-KRWDZBQOSA-N 299.418 3.634 30 20 CHED CCCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)C(C)C 878844428 ZBTWNTVDSXAAAV-GOSISDBHSA-N 286.419 3.547 30 20 CHED C=C1CCC(C(=O)Oc2ccc(C(C)=O)cc2F)CC1 888806167 UECOJOJMWXSULC-UHFFFAOYSA-N 276.307 3.680 30 20 CHED C=C1CCC(C(=O)Oc2cccc3c2CCCC(=O)N3)CC1 890903375 LRHRMFWUXLRVPH-UHFFFAOYSA-N 299.370 3.613 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC/C=C\Cl 899045470 VZFVZHQKSQTUEY-TWGQIWQCSA-N 278.783 3.527 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1cn(C)nc1C1CC1 899345166 GXGSGLCRRAZMPR-CLFYSBASSA-N 296.370 3.511 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)CCc2cc(F)ccc21 899360559 LZZQDJHEDRBJDO-ZSOIEALJSA-N 296.345 3.960 30 20 CHED CC[C@H](N[C@@H](C)CC(C)(C)OC)c1cccc(C#N)c1 902819611 JDSOOSQPVBLZEV-BBRMVZONSA-N 274.408 3.803 30 20 CHED CC1(C)C[C@H](NCC2(C#N)CCC2)c2cc([N+](=O)[O-])ccc21 903033742 YNVLHZONGCMAGM-HNNXBMFYSA-N 299.374 3.601 30 20 CHED C=CCCC[C@@H](N)c1nc(-c2cc(C)ccc2F)no1 904690547 SGMVKEVHBIJODY-CYBMUJFWSA-N 275.327 3.540 30 20 CHED CCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103777 DYIPFSOWFFGIAJ-QMMMGPOBSA-N 298.289 3.901 30 20 CHED CC[C@H](C#N)Sc1nnc2n(C(C)C)c3ccccc3n12 915886603 HDXXXGXWRCMHGJ-LLVKDONJSA-N 299.403 3.659 30 20 CHED CC(=NNc1ccccc1Cl)c1cc(O)ccc1O 916262895 VHLQCKGPUQZPLP-UHFFFAOYSA-N 276.723 3.587 30 20 CHED C1=CC[C@@H](C=NNc2ccc3ccccc3n2)CC1 916286505 JAXCXZFWMIZCTR-CYBMUJFWSA-N 251.333 3.989 30 20 CHED C=C(Cl)COC(=O)c1ccccc1C(F)(F)F 916610156 ZUHBPHGVPGTSJM-UHFFFAOYSA-N 264.630 3.615 30 20 CHED C=C(Cl)CN(Cc1ccc(N(C)C)cc1)C(C)C 917075278 SXBPNZVOUQGGBV-UHFFFAOYSA-N 266.816 3.716 30 20 CHED CCCCCCNC(=O)Nc1cc(C#N)ccc1OCC 919897921 QUHIUYIMBOEREH-UHFFFAOYSA-N 289.379 3.659 30 20 CHED C#CCNC(=O)[C@@H](C)S[C@@H](C)c1cccc2ccccc12 920426625 PZEJQZJLELNVGC-UONOGXRCSA-N 297.423 3.772 30 20 CHED CC(C)c1cccc(C(=O)OCc2ccc(C#N)cc2)c1N 920558756 QGUWDJFPIPBFQE-UHFFFAOYSA-N 294.354 3.621 30 20 CHED CC[C@H](/N=C\c1cccc(O)c1O)c1ccc(OC)cc1 920947742 SVGFEGMPGLTBDS-GZQZNAIASA-N 285.343 3.677 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@H]1CSCc2ccccc21 924847602 HGAIYNUTKQZUGX-DOMZBBRYSA-N 274.433 3.892 30 20 CHED C=C1CCN(C(=O)Nc2ccc(N3CCCC3)cc2C)CC1 929317524 LFDCHZLNQNNBMV-UHFFFAOYSA-N 299.418 3.779 30 20 CHED C=C[C@H](CC)CC(=O)N1Cc2ccccc2C[C@H]1C 933492173 DAVLOGCGOVLRJP-ZIAGYGMSSA-N 257.377 3.562 30 20 CHED C=C[C@H](CC)CC(=O)N1CCCn2c(cc3ccccc32)C1 936001920 YJVGXFCNMBTSOZ-OAHLLOKOSA-N 296.414 3.976 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccnc1N(C)C)CC2 1117390927 CPZRRPCJCZARMA-NTCAYCPXSA-N 292.382 3.669 30 20 CHED CC(Cn1nc(C)cc1C)=NOCc1ccccc1C1CC1 1118387433 QTZWSWGHUWQBKD-UHFFFAOYSA-N 297.402 3.970 30 20 CHED Cc1ccccc1[C@H](C)CC(=O)[C@H](C#N)c1cccc(F)n1 1122631967 MIZVRVHVVHBWJD-UKRRQHHQSA-N 296.345 3.899 30 20 CHED C[C@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 1126637773 OFUCPKOVQWTYIJ-CSFVBSKPSA-N 283.371 3.989 30 20 CHED Cc1ccc(C)c([C@@H](C)OC(=O)c2ccc(C#N)c(C)n2)c1 1127812206 JFYIKXFCFLRTFD-CQSZACIVSA-N 294.354 3.797 30 20 CHED CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccccc1CC#N 1141533695 SXYCERJGPLSGEX-GOEBONIOSA-N 284.403 3.699 30 20 CHED Cc1cc(F)c(CN(C)Cc2ccc(C#N)cc2)c(F)c1 1235193894 KMTPCOFIBFELGP-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C[C@H](CC1CCCCC1)NC(=O)CC#Cc1ccccc1 1256076987 ZTTWITYLNYJPLY-MRXNPFEDSA-N 283.415 3.903 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)CCCCOC)c1cccs1 1263525031 YKDSFQANJLVBQC-IUODEOHRSA-N 295.404 3.699 30 20 CHED C[C@H]1CCC[C@H](OC(=O)c2ccc(Cl)c(C#N)c2)C1 1264203992 OYGRBTMVQSXJHM-GWCFXTLKSA-N 277.751 3.947 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)O[C@H]1CCC[C@H](C#N)C1 1275465530 WJRKMTVXHIZTCC-XGUBFFRZSA-N 263.381 3.828 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc3occc3c2)cc1 1287832628 RZECBAWRBMTYFV-UHFFFAOYSA-N 262.268 3.557 30 20 CHED N#Cc1cccnc1Sc1nc2cc(F)ccc2s1 1307208466 KBAYKELUTNFSAL-UHFFFAOYSA-N 287.344 3.853 30 20 CHED COc1cc(O)ccc1/C=C\C(=O)c1c(C)cc(C)cc1O 1321685112 LAHCLCYJHANDFB-ALCCZGGFSA-N 298.338 3.619 30 20 CHED Cc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1N1CCCC1=O 1322130849 XUNAPYFOELERLG-LSDHHAIUSA-N 297.402 3.616 30 20 CHED N#Cc1ccc(-c2nnc([C@H]3CC34CCCC4)o2)cc1 1322325294 MMZBDGJUDANNDW-CYBMUJFWSA-N 265.316 3.656 30 20 CHED C[C@@H]1CCN(C(=O)CC#Cc2ccccc2)[C@H]2CCCC[C@@H]21 1323870223 DOSANRGCXHUIGD-QRQLOZEOSA-N 295.426 3.855 30 20 CHED C[C@H](NN=Cc1cccn1C1CC1)c1ccccc1 1324611340 YDOAFDJWANUXBI-ZDUSSCGKSA-N 253.349 3.508 30 20 CHED CCN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)[C@@H](C)C#N 1331283813 WTOFRDNFJRXBAZ-LWTINBJPSA-N 297.185 3.767 30 20 CHED C=C(C)C(C)(C)C(=O)NCCc1cc(Cl)ccc1OC 1331987330 XPLVGESQXYPSRX-UHFFFAOYSA-N 295.810 3.610 30 20 CHED N#Cc1cc(COC(=O)CC(C2CC2)C2CC2)ccc1F 1332493789 SIMMQSOSUSYLEL-UHFFFAOYSA-N 287.334 3.567 30 20 CHED CON(Cc1ccc(C#N)s1)[C@H](C)c1csc(C)n1 1333240487 HKWGISICTIZWSK-SECBINFHSA-N 293.417 3.509 30 20 CHED C=C[C@H](CC)CC(=O)N1CC[C@@H](Cc2ccccc2)C1 1333396382 RFINWEDIZOBIMD-WBVHZDCISA-N 271.404 3.680 30 20 CHED Cc1ccc(C)c(C2CCN(C(=O)C3(C#N)CCC3)CC2)c1 1334074332 UNNFWUCIACHGPY-UHFFFAOYSA-N 296.414 3.703 30 20 CHED C[C@H]1Cc2cc(CNc3ccc(OCC#N)cc3)ccc2O1 1334315094 UNFVPUMNQSXURR-ZDUSSCGKSA-N 294.354 3.524 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)COCC1CCCCC1 1334317197 GAGRYEIZWJMURG-LSDHHAIUSA-N 266.429 3.501 30 20 CHED Cc1ccc(OCc2cc(C#N)ccn2)c2c1[C@@H](C)CC2=O 1336061643 AEJZHCLCCMIQMM-LBPRGKRZSA-N 292.338 3.531 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)c1oc2ccc(F)cc2c1C 1337581197 RPXYCZCNSTUJGK-LBPRGKRZSA-N 288.322 3.645 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1scnc1C1CC1 1346456540 WYBSKDAEAITEIX-LBPRGKRZSA-N 291.420 3.983 30 20 CHED C#CC[C@H](C)OC(=O)c1ccc(C)c(Oc2ccncc2)c1 1347107901 OYARCGNAIGOCRB-AWEZNQCLSA-N 295.338 3.751 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(COC)c(F)c1 1349862167 BYIXMGAVSHXUFN-HNNXBMFYSA-N 291.366 3.543 30 20 CHED C[C@@H]1CC/C(=C\c2nnc(COc3ccccc3C#N)o2)C1 1349921561 FTBCJPSPNOLJKG-AUWXEVLLSA-N 295.342 3.724 30 20 CHED CCC[C@H]1CCCN(C(=O)[C@H](CC#N)c2ccccc2)C1 1355823283 NCGBBUUQDVZFCE-DOTOQJQBSA-N 284.403 3.723 30 20 CHED Cc1ccc(F)cc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1436969952 RNTJUJJZKPMHOA-CYBMUJFWSA-N 296.345 3.839 30 20 CHED Cc1cc(NC(=O)[C@@H](C)CC2CCCCC2)ncc1C#N 1437191589 XHUSJCYGOPEQMK-ZDUSSCGKSA-N 285.391 3.807 30 20 CHED CCC1CCC(CNc2ncc(C#N)cc2F)CC1 1458122304 RISBSAWLQUXCSP-UHFFFAOYSA-N 261.344 3.721 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccc(Cl)s1 1460269122 APFUVERMFFSXKH-UHFFFAOYSA-N 274.776 3.836 30 20 CHED N#Cc1cc(F)cc(NCc2cc3ccccc3nc2O)c1 1461694058 VOQZTOKFSKCOJJ-UHFFFAOYSA-N 293.301 3.563 30 20 CHED CN(CC(C)(C)C#N)C(=O)NCC1(C)CCC(C)(C)CC1 1470540036 OATUQIGYTPASEA-UHFFFAOYSA-N 293.455 3.784 30 20 CHED N#Cc1ccc(CNCC2(c3ccccc3F)CCC2)cc1 1474199142 RFJIXROHMPDGBD-UHFFFAOYSA-N 294.373 3.909 30 20 CHED C[C@@H](OC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)c1cccc(C#N)c1 1525572265 RZYNHDZIJIRMAV-BQDHKBFISA-N 269.344 3.599 30 20 CHED C=C[C@H](C(=O)Nc1cc(C2CCC2)nn1C)c1ccccc1 1548668941 HJXASPSHMWUXDG-HNNXBMFYSA-N 295.386 3.596 30 20 CHED Cc1ccnc(NCC(C)(C)c2ccc(F)cc2)c1C#N 1559097378 WCJVMWKMSMQJGI-UHFFFAOYSA-N 283.350 3.791 30 20 CHED CC[C@H](C)c1ccc(C(=O)Nc2cccc(C#N)n2)cc1 1584682176 ZKKYXDFNSNTXBS-LBPRGKRZSA-N 279.343 3.719 30 20 CHED C=C[C@@H](Nc1ccc(SC(C)(C)C)cc1C)C(=O)O 1588701966 FDXRMSUUXHZYJT-GFCCVEGCSA-N 279.405 3.937 30 20 CHED CCCC[C@H](S[C@@H](C)c1ccc(C#N)cc1)C(=O)O 1595651243 DLWKOGDQFOPPHU-FZMZJTMJSA-N 277.389 3.996 30 20 CHED C=CCCC[C@H](NC(=O)C[C@H]1CCCCC1(C)C)C(=O)O 1602863729 SIHPXEHKCNYODG-KGLIPLIRSA-N 295.423 3.519 30 20 CHED Cc1nc(C#N)cc(SCC2(C)CCCCC2)n1 1612403973 LYSOZKRYSLBSBG-UHFFFAOYSA-N 261.394 3.719 30 20 CHED Cc1cnc(SCc2ccccc2C#N)c(C)c1 1614700161 VGNMMOXEQBALHG-UHFFFAOYSA-N 254.358 3.862 30 20 CHED CN(C)c1ccc(F)cc1CNc1ccc(CC#N)cc1 1620733749 SMUXRYBDBBPJOI-UHFFFAOYSA-N 283.350 3.570 30 20 CHED CC[C@H]1CCCC[C@@H]1CNCc1cc(C#N)cs1 1620953498 NFNFSPZPNJTZOQ-UONOGXRCSA-N 262.422 3.926 30 20 CHED Cc1nc(C#N)cc(N[C@@H]2CCC(C)(C)c3ccccc32)n1 1639363262 DHTLQFZTMFVZQB-MRXNPFEDSA-N 292.386 3.881 30 20 CHED Cc1cc(C#N)nc(N[C@H]2CCC[C@@H](C(C)C)CC2)n1 1642600273 MBHJSSSDHDSQPV-KGLIPLIRSA-N 272.396 3.674 30 20 CHED CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1Nc1cccc(F)c1C#N 1650927991 SHXPKMATVCUTNG-XZJROXQQSA-N 290.382 3.949 30 20 CHED C[C@H](CC#N)N(C)Cc1cccc(COc2ccccc2)c1 1651830736 GKJBWSOKLZAHPH-MRXNPFEDSA-N 294.398 4.000 30 20 CHED N#Cc1cc(F)ccc1CNC1(C2CCCCC2)CC1 1655043398 XJFDBXPGYARNCP-UHFFFAOYSA-N 272.367 3.900 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(CCC(C)(C)C2CC2)C1 1776153097 JXPQBMIBKKSMNF-QGZVFWFLSA-N 279.424 3.556 30 20 CHED N#Cc1cccc(C(=O)OCc2nc3ccccc3s2)c1 3509367 ICOQWGDTLPUXAV-UHFFFAOYSA-N 294.335 3.525 30 20 CHED CC(C)c1ccccc1NCC(=O)Nc1cccc(C#N)c1 11621501 MVTMTCSBEOEIPA-UHFFFAOYSA-N 293.370 3.732 30 20 CHED N#Cc1cccc(CNc2cccc3cccnc23)c1 19903649 UENCABWDPDOZLZ-UHFFFAOYSA-N 259.312 3.719 30 20 CHED COc1ccc(C)cc1NCc1cc(C#N)ccc1F 20048905 YEDXGKUVAHRNAN-UHFFFAOYSA-N 270.307 3.627 30 20 CHED CCCCC[C@@H](C)NC(=O)/C=C/c1ccccc1C#N 29432423 AHWXIYQPYYEKKB-GCZGRYASSA-N 270.376 3.656 30 20 CHED CC(C)(C)C[C@H](NC(=O)CSCC#N)c1ccccc1 31799764 FHHUTQTVXCVYEI-AWEZNQCLSA-N 290.432 3.537 30 20 CHED N#Cc1cccc(OCc2cc(-c3cccs3)on2)c1 48405504 BDWOXMZFUAQWTH-UHFFFAOYSA-N 282.324 3.854 30 20 CHED N#Cc1ccsc1C(=O)Nc1cccc(-c2cnco2)c1 52032002 MTDDCNLOJBXWDJ-UHFFFAOYSA-N 295.323 3.527 30 20 CHED CCN(C(=O)C[C@@H]1C=CCC1)[C@@H](C)c1ccc(C#N)cc1 58712893 VAWDEXYKQISEGT-LSDHHAIUSA-N 282.387 3.824 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(C#N)c1 63874899 CHPHIWFBWMIOCI-CMDGGOBGSA-N 293.370 3.849 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1ccc2c(c1)COC2 64384629 OWGDSYFDGYLSPK-UHFFFAOYSA-N 299.395 3.607 30 20 CHED CCn1nc(C)c(C(=O)/C=C/c2cccc(F)c2)c1C 65722798 NCYGEIGWSKHHLG-CMDGGOBGSA-N 272.323 3.555 30 20 CHED CCCCC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 68454248 ZKAQUBJSXVOLCZ-GFCCVEGCSA-N 285.174 3.864 30 20 CHED C=CCOc1ccc(C(=O)Nc2cccnc2Cl)cc1 68933267 GVPQFPQUMHSEES-UHFFFAOYSA-N 288.734 3.552 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)Cc1ccsc1 69606450 PMWJIKKFGLPBPD-LBPRGKRZSA-N 299.399 3.681 30 20 CHED CC(C)(C)[C@H]1CCCN(c2ccc(C#N)cn2)CC1 71202959 ZJVRYXFUYDIOGB-AWEZNQCLSA-N 257.381 3.606 30 20 CHED C[C@@H](NC(=O)N(C)C1CCCCCC1)c1cccc(C#N)c1 74916881 NYCBBTCVRJENKM-CQSZACIVSA-N 299.418 3.983 30 20 CHED CCOCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 78472431 LDYGXDGESIKNKG-UHFFFAOYSA-N 295.338 3.557 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CC2CCC2)cc1 80162314 DMXQWSGAXKXCIB-INIZCTEOSA-N 284.403 3.855 30 20 CHED Cc1nc(N[C@H](C)c2ccc(C#N)cc2)sc1C 87302526 JGWRPMLZMFJXOK-SNVBAGLBSA-N 257.362 3.805 30 20 CHED C[C@@H](C1CC1)N(Cc1ccc(N(C)CCC#N)cc1)C1CC1 92009790 YKDZTQWBOIHFIA-HNNXBMFYSA-N 297.446 3.799 30 20 CHED Cc1cc(C)cc(C2=CCN(C[C@@H](C#N)CCC#N)CC2)c1 92427251 SRLFKYZKVOIFLA-QGZVFWFLSA-N 293.414 3.836 30 20 CHED N#C[C@H](NC(=O)c1cccc(F)c1Cl)C1CCCCC1 93938126 KQUUBXCFYFQCDJ-ZDUSSCGKSA-N 294.757 3.681 30 20 CHED Cc1ccc(C)c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 107905841 DKNAKURRBSXRQT-UHFFFAOYSA-N 295.386 3.984 30 20 CHED CC(C)c1ccc(C2(C(=O)N[C@@H](C)C#N)CCCC2)cc1 108262539 NDGUTBMXCJFXKZ-AWEZNQCLSA-N 284.403 3.650 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1 109537672 PTWZQGREWRRHET-UHFFFAOYSA-N 283.237 3.553 30 20 CHED C=CC1CCN(Cc2coc(-c3ccc(OC)cc3)n2)CC1 111257606 RPLNOAITXNLEML-UHFFFAOYSA-N 298.386 3.748 30 20 CHED CCCCCCCCCC(=O)N1CCC[C@@H](CNC)C1 115859079 RPGJUWORLZZQNS-INIZCTEOSA-N 282.472 3.585 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1nnc(C(CC)CC)s1 116998834 ZJJQQYAKCCIWJJ-SECBINFHSA-N 282.413 3.528 30 20 CHED C[C@H](NCc1cc(C#N)ccc1F)c1ccc(F)c(F)c1 120118042 MCEFSWOUFADJLV-JTQLQIEISA-N 290.288 3.826 30 20 CHED C=C[C@@H](CC(=O)OCc1ccc(C#N)cc1)c1ccccc1 122453556 YNBQPUQHVQHRTN-KRWDZBQOSA-N 291.350 3.961 30 20 CHED N#CCCCCSc1nnc(Cc2cccc(F)c2)o1 122607562 XGTKASXTDDQUMF-UHFFFAOYSA-N 291.351 3.585 30 20 CHED C[C@H](CCC(=O)Nc1cc(C#N)ccc1O)c1ccccc1 124004511 VEBWAQJDKUHBHS-CYBMUJFWSA-N 294.354 3.786 30 20 CHED CCCc1nc(CNc2cccc(C#N)c2)cs1 124213795 WGGXLDPWWBHQSR-UHFFFAOYSA-N 257.362 3.579 30 20 CHED N#Cc1cc(CNc2cc(F)c(F)c(F)c2)ccc1F 124619977 MTHCNLGIEZHZRF-UHFFFAOYSA-N 280.224 3.727 30 20 CHED CCN(Cc1cc(C#N)ccc1OC)c1cccc(F)c1 130447852 LBJWAYMBVIXPRH-UHFFFAOYSA-N 284.334 3.732 30 20 CHED N#CCC[C@@H](NCc1ccc(Cl)nc1)c1ccccc1 130579332 WZMPBLZEJDCLAC-OAHLLOKOSA-N 285.778 3.870 30 20 CHED CCc1c(C)sc(NC(=O)C(C2CC2)C2CC2)c1C#N 130713765 UPYMZPFURRVFPP-UHFFFAOYSA-N 288.416 3.865 30 20 CHED C[C@H](c1ccco1)N(C)Cc1ccc(N(C)CCC#N)cc1 131108369 CRYURTNPVREITK-OAHLLOKOSA-N 297.402 3.822 30 20 CHED Cc1cccc([C@@H](C)C(=O)Nc2ccc(CC#N)cc2)c1 131739394 GOHXBJJGMDWHSS-CQSZACIVSA-N 278.355 3.803 30 20 CHED C#CCCCCNC(=O)N1CCC[C@H]1c1cc(C)ccc1C 134837003 CNUBPORQJLRPKK-SFHVURJKSA-N 298.430 3.953 30 20 CHED C[C@H](NCc1ccc(C#N)s1)c1ccc(F)c(F)c1 135666277 MAKDZIWYCZCVGV-VIFPVBQESA-N 278.327 3.749 30 20 CHED C=CCCSCC(=O)N[C@H](c1ccc(C)cc1)C1CC1 151967240 IVEZJOAXIWITHH-QGZVFWFLSA-N 289.444 3.872 30 20 CHED C[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1 154349185 DFRHCRWLVSOITL-VHSXEESVSA-N 256.271 3.550 30 20 CHED C[C@@H](C#N)Oc1ccc(-c2nc3cc(F)ccc3n2C)cc1 154493150 ZVWMBYFQYCGALF-NSHDSACASA-N 295.317 3.670 30 20 CHED Cc1nnc(N[C@H]2CC(C)(C)c3ccccc32)c(C#N)c1C 154871411 ACPSFLXDCHZPSZ-INIZCTEOSA-N 292.386 3.800 30 20 CHED CC[C@H](CC#N)NC(=O)Nc1ccc(C)c(C(F)(F)F)c1 155632561 QRYMGHQEBIALGV-SNVBAGLBSA-N 299.296 3.828 30 20 CHED CC(C)(C)c1ccccc1C(=O)[C@H](C#N)c1ccccn1 155960454 NTLYADOAEXKSNJ-CQSZACIVSA-N 278.355 3.869 30 20 CHED CCN(C(=O)c1ccccc1)c1ccc(C#N)c(Cl)c1 156579809 MTLDTSMVGLBDNF-UHFFFAOYSA-N 284.746 3.878 30 20 CHED CCCCCCCCN[C@H]1CCOC2(CCOCC2)C1 159298075 XHKXVPGFXCPECZ-INIZCTEOSA-N 283.456 3.665 30 20 CHED COc1ccc(CC/C(C)=N/OCc2nccs2)cc1 161292422 XZOPFWQNZVIVNZ-SFQUDFHCSA-N 290.388 3.677 30 20 CHED Cc1cccc(C(=O)N(CCC#N)CC(C)C)c1Cl 162883421 OHUKZMCPIQXJLS-UHFFFAOYSA-N 278.783 3.660 30 20 CHED C=C(Cl)CSc1nc(=O)c(C)c(-c2ccccc2)[nH]1 163951919 FONBCYCROQYKGV-UHFFFAOYSA-N 292.791 3.590 30 20 CHED Cc1ccc(F)c(OCc2ccc(C#N)cc2C)c1 165565449 HHNVPYPTLDNTEQ-UHFFFAOYSA-N 255.292 3.893 30 20 CHED COc1cccc(/C=N\[C@@H](C)c2ccccc2)c1O 166363516 GLKLLGLTBKQCOA-UEMWTREESA-N 255.317 3.581 30 20 CHED C[C@H](NCc1cccc(OCCCC#N)c1)c1cccnc1 171246191 PGPJMVNNQKVQJO-HNNXBMFYSA-N 295.386 3.615 30 20 CHED CC(C)[C@H](C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 171977067 PKNWZHYLZHRZNT-CABZTGNLSA-N 299.201 3.966 30 20 CHED COc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)cc1F 171981727 NAUHQLVXAJTVAF-GQCTYLIASA-N 288.322 3.508 30 20 CHED C=CCNC(=O)Nc1cccc(CSC(C)C)c1C 173878439 KHYJJGGJEAEGFD-UHFFFAOYSA-N 278.421 3.944 30 20 CHED CN(Cc1ccc(C#N)cc1)Cc1nc2c(s1)CCCC2 175536212 QOBXPGHCRKVHBO-UHFFFAOYSA-N 297.427 3.526 30 20 CHED C=CC1CCN(C(=O)C[C@H](C)c2ccc(OC)cc2)CC1 176439858 CLIXRYUMHHSENF-AWEZNQCLSA-N 287.403 3.613 30 20 CHED C[C@@](C#N)(CCc1ccccc1)NC(=O)CCC1CCC1 176586771 VQDIYXBQWOOPIP-SFHVURJKSA-N 284.403 3.598 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1scnc1C(C)(C)C 176680788 PQOWSLFRGATCRZ-UHFFFAOYSA-N 299.399 3.873 30 20 CHED COc1c(C)cc(C(=O)Nc2ccc(F)cc2C#N)cc1C 179504349 ZUUPYWNMNODYPP-UHFFFAOYSA-N 298.317 3.575 30 20 CHED C#CCCCCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 179716198 JWNGEEPZLCUNLR-LBPRGKRZSA-N 295.329 3.659 30 20 CHED CC#CCCCC(=O)N(Cc1ccc(F)cc1F)C1CC1 185210766 PSKFHBSQGIWJJT-UHFFFAOYSA-N 291.341 3.649 30 20 CHED C=CCCC(=O)Nc1ccc(OCC)c2cccnc12 185478523 ZVEBJHVHCYTBIP-UHFFFAOYSA-N 270.332 3.538 30 20 CHED N#C[C@H]1CCC[C@H](NCCOc2cccc3ccccc23)C1 185787567 XEIMBRQHFVQUKV-RDJZCZTQSA-N 294.398 3.891 30 20 CHED N#C[C@@H]1CCC[C@H](Nc2cccc3cccnc23)C1 185788739 QNIBICKBXLRNIS-OCCSQVGLSA-N 251.333 3.729 30 20 CHED Cc1cc2occ(C(=O)OCCCC#N)c2cc1C 185997639 ZYDFHGABJPPIEN-UHFFFAOYSA-N 257.289 3.510 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(OCC)c2cccnc12 186057991 KESHOZZDJKAFRS-GFCCVEGCSA-N 299.374 3.720 30 20 CHED C=C(C)[C@H](N[C@@H](CC)COC)c1ccc(F)c(F)c1 186449528 TVRQCBLJVMJMEJ-WFASDCNBSA-N 269.335 3.597 30 20 CHED CC[C@H](CC#N)OC(=O)c1csc(-c2ccccc2)n1 188087323 OVOLBXBPNPTKRE-GFCCVEGCSA-N 286.356 3.659 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1csc(C2CC2)n1 189916252 YLOSRUQIBHTCRG-UHFFFAOYSA-N 291.420 3.565 30 20 CHED CC(C)c1cccc2c1CCN(C(=O)C1(C#N)CCCC1)C2 189982095 MPLXEFMSVODFBD-UHFFFAOYSA-N 296.414 3.779 30 20 CHED N#Cc1cc(COc2ccc(C#N)c(Cl)c2)ccc1F 190267942 XPYUQEHGMRUVIN-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C=C[C@](C)(CC)C(=O)NCC(C)(C)c1ccc(OC)cc1 191201046 YVGFYEAYSPHQNB-GOSISDBHSA-N 289.419 3.691 30 20 CHED Cc1ccc(C(=O)/C=C/c2c(C)noc2C)c(C)c1 192883383 DYYHSIUAXPNRDR-BQYQJAHWSA-N 255.317 3.804 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)C1CCCCC1 194221824 JAFBHYLGHPAOJP-UHFFFAOYSA-N 275.367 3.921 30 20 CHED C=CCSCCNC(=O)Nc1ccccc1CCC 194601393 LNEHSRHANCYPOU-UHFFFAOYSA-N 278.421 3.680 30 20 CHED C=CCCOCCN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 222442588 BNQAUZFNRDLMHV-ARFHVFGLSA-N 251.414 3.528 30 20 CHED Cc1noc(C)c1[C@H](C)NCCCCC(C)(C)C#N 235506570 RTTXHDULQQZKRT-NSHDSACASA-N 263.385 3.662 30 20 CHED Cc1cscc1-c1noc(-c2ccc(C#N)s2)n1 235800995 LJHNFJISYVUYRT-UHFFFAOYSA-N 273.342 3.707 30 20 CHED C=CC[C@H](C)[C@@H](C)NC[C@H](c1ccco1)N1CCCC1 248060287 YFEWRJMWWRWJBP-ARFHVFGLSA-N 276.424 3.607 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 248531021 NSXNNMGQJMOCMN-HEHGZKQESA-N 282.387 3.862 30 20 CHED COc1cccc(/C=N\C[C@@H](C)Oc2ccccc2C)c1O 255001635 XQCSKYJPBCRFOG-VCRXTVNUSA-N 299.370 3.596 30 20 CHED C=CCn1c(SC/C=C\Cl)nnc1-c1ccco1 255417902 NCVHFJSYOSUAIT-XQRVVYSFSA-N 281.768 3.569 30 20 CHED CC(C)Oc1ccc(/C=C\c2ccc(C#N)cn2)cc1 255697333 NPMDWPAVJIWSOB-CLTKARDFSA-N 264.328 3.911 30 20 CHED C=CCC[C@H](CCC)NCc1ccc(C(=O)O)cc1 263412158 LUAAAPFCJVIBFN-HNNXBMFYSA-N 261.365 3.609 30 20 CHED N#CCOc1ccc(CN(Cc2ccccc2)C2CC2)cc1 264071515 BVUSDFNVZIPAQT-UHFFFAOYSA-N 292.382 3.754 30 20 CHED CC(C)[C@@H](C)N(C(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CC1 264498947 FVCDBVPZBJVWQZ-UONOGXRCSA-N 299.418 3.838 30 20 CHED Cc1cc2occ(CC(=O)N[C@H](C#N)C(C)(C)C)c2cc1C 267219071 IXEZNIRLLIVHOG-MRXNPFEDSA-N 298.386 3.647 30 20 CHED COCCc1nc2cc(N[C@@H]3CCC[C@H](C#N)C3)ccc2o1 274210602 NIBVOBOMLSYQES-QWHCGFSZSA-N 299.374 3.511 30 20 CHED CC(C)[C@@H](C#N)NC(=O)CCCCCc1ccc(F)cc1 275034918 KZXLVORMTCTJBK-MRXNPFEDSA-N 290.382 3.593 30 20 CHED CC(C)(C#N)CCSCc1nc(-c2ccccc2)no1 276664142 XPWIDTLGDCMENO-UHFFFAOYSA-N 287.388 3.910 30 20 CHED CC[C@@H](NC[C@@H](O)c1ccccc1C)c1ccc(C#N)cc1 278837376 UOSICAHXIRKEPQ-RTBURBONSA-N 294.398 3.641 30 20 CHED Cc1noc(-c2ccccc2)c1NC(=O)CC(C)(C)C#N 278904766 ZASWOKUBKSLKER-UHFFFAOYSA-N 283.331 3.528 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC[C@@H](C)c1ccc(F)cc1 280618771 KUANMVFSWFLHRN-KMFMINBZSA-N 277.383 3.500 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(F)cc1O 281054474 SULKJEYRHZJOEK-QPJJXVBHSA-N 288.322 3.513 30 20 CHED CSc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 282510797 YXXKEUZQNACCPN-YRGRVCCFSA-N 260.406 3.751 30 20 CHED CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#N)ccc1Cl 285567815 GKWVRJBFVZVQCX-RISCZKNCSA-N 276.767 3.520 30 20 CHED CCc1ccc2occ(C(=O)N[C@@](C)(C#N)C(C)C)c2c1 285826595 BQLMIWVAEOOUAQ-KRWDZBQOSA-N 284.359 3.663 30 20 CHED C=CCCCCCCCCNCc1csnn1 289222669 ADJZLDDLEQIFHT-UHFFFAOYSA-N 253.415 3.544 30 20 CHED Cc1ccncc1CCCN(CCC#N)CCC(C)C 289473626 ZFHZXHFJPBGEJD-UHFFFAOYSA-N 273.424 3.584 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc(OCCCC#N)c1 292401932 YIVCVVMJKAHFCJ-UHFFFAOYSA-N 286.375 3.910 30 20 CHED C=CCC(CC=C)C(=O)Nc1cncc(Cl)c1C 295401985 OBXKIIAJAQFXHM-UHFFFAOYSA-N 264.756 3.750 30 20 CHED CCC[C@@H]1CCc2nc(NC(=O)C(C)(C)C#N)sc2C1 299501646 KTZHZFFPIAVHOP-SNVBAGLBSA-N 291.420 3.536 30 20 CHED N#Cc1c(F)cccc1N1CCS[C@@H]2CCCC[C@H]21 301540141 BXJLGDMXDTWYSJ-HUUCEWRRSA-N 276.380 3.562 30 20 CHED N#Cc1ccc2nc(NCCOc3ccccc3)ccc2c1 301825649 OMVHWTKPYGASLC-UHFFFAOYSA-N 289.338 3.597 30 20 CHED Cc1cccc(SC[C@@H](O)c2ccc(C#N)cc2)c1 305086044 XHYXFWBXEOFPLI-MRXNPFEDSA-N 269.369 3.692 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@@H]1CC1(Cl)Cl 309514018 QPTJDHIBQAIXSA-QMMMGPOBSA-N 275.566 3.817 30 20 CHED C[C@@H]1CC(=O)CC[C@H]1C(O)=Nc1nc2ccsc2s1 329001861 WBQQCYOVGJIENG-VXNVDRBHSA-N 294.401 3.951 30 20 CHED CC[C@@H]1CCC[C@@H](/N=C(/O)c2snnc2C2CC2)C1 329540872 WXRLMRDWGZVJAI-MWLCHTKSSA-N 279.409 3.689 30 20 CHED Cc1cc(C(=O)N[C@@](C)(C#N)CC(C)C)ccc1Cl 330482137 QYNFPPJJZOTIFP-OAHLLOKOSA-N 278.783 3.707 30 20 CHED Cc1ccc(/C(O)=N/[C@](C)(C#N)CC(C)C)c(F)c1 330484018 WFFPNMFOBTYXTJ-HNNXBMFYSA-N 262.328 3.767 30 20 CHED CC[C@H](/N=C(/O)N[C@H]1CCc2c(OC)cccc21)C(C)C 330975171 NXKDPHMLFNUHQP-GJZGRUSLSA-N 290.407 3.621 30 20 CHED C[C@@H](Nc1ccc(C#N)cc1F)c1c(F)cncc1F 334449002 JMANIRMOGDSPBV-MRVPVSSYSA-N 277.249 3.544 30 20 CHED N#C[C@H]1CC[C@@H](NCc2nc3cc(Cl)ccc3s2)C1 334904459 ZKECYKAAJCIHED-GXSJLCMTSA-N 291.807 3.732 30 20 CHED CC1(C)CCCC[C@H]1CC(=O)N1CCC(CC#N)CC1 335765156 TZIUTKRTZSFFJI-HNNXBMFYSA-N 276.424 3.745 30 20 CHED CCOc1ccc(C#N)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 339211026 BRZCFKZWSYZKMM-QEJZJMRPSA-N 298.386 3.722 30 20 CHED C=CCN(Cc1nccc(C)n1)Cc1ccc(Cl)s1 339641366 CYOISVDYHSUZHI-UHFFFAOYSA-N 293.823 3.688 30 20 CHED Cc1ccsc1CN(C)Cc1cccc(C#N)c1F 340762851 AQXQGPJBXSKPCA-UHFFFAOYSA-N 274.364 3.699 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N[C@@H]1CC[C@@H](F)C1 340848462 JTLIMNIAWQCBKD-MWLCHTKSSA-N 291.276 3.687 30 20 CHED C=CC[C@@H](CC)NCc1csc(-c2ccccn2)n1 341428130 BRMNONYKBGHZQS-GFCCVEGCSA-N 273.405 3.649 30 20 CHED C=CCCOCCCCC(=O)N(CC)c1ccccc1 342607846 NXCKAHNDZBTZNL-UHFFFAOYSA-N 275.392 3.803 30 20 CHED CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@H](C)C2)cc1C#N 345281352 HRZRNZXKCCQIOA-STQMWFEESA-N 286.375 3.720 30 20 CHED N#Cc1cccnc1/C=C\c1cnc(-c2ccccn2)s1 352021046 LZKXFZHBEKJPHK-SREVYHEPSA-N 290.351 3.642 30 20 CHED C=CCn1ccc(=O)c2cc(Oc3ccccc3)ccc21 352213559 ICRPOFIYVCYSRG-UHFFFAOYSA-N 277.323 3.980 30 20 CHED CN(Cc1ncc(-c2ccccc2)s1)CC(C)(C)C#N 354017006 GFLCTHXHZSRLPU-UHFFFAOYSA-N 285.416 3.792 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@H](C)C1 354112338 XMGPBOBXSKKLOI-GXTWGEPZSA-N 285.391 3.755 30 20 CHED C=CCCC1(C(=O)Nc2ccc3nnc(C(C)C)n3c2)CC1 356951317 MAJXSWYMYHLGNS-UHFFFAOYSA-N 298.390 3.538 30 20 CHED C=CCCC1(C(=O)NCc2ccc(C3CC3)cc2)CC1 357053531 SPLZVMUNHFRLLI-UHFFFAOYSA-N 269.388 3.927 30 20 CHED COc1ccc(Cl)c(CSCC2(C#N)CC2)c1 359088537 PLCNILBANJKMAT-UHFFFAOYSA-N 267.781 3.886 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@H]2NCCc1ccncc1 360656546 IPXGACBFYWYKQH-LJQANCHMSA-N 291.398 3.553 30 20 CHED CSc1ccc(F)cc1CN[C@@H]1CCC[C@H](C#N)C1 361441906 XJYOQIJZOBUPHN-SMDDNHRTSA-N 278.396 3.720 30 20 CHED Cc1ccc2c(C(=O)N[C@@]3(C#N)CC3(C)C)csc2c1 362170545 PYJPBXGRJBAQER-MRXNPFEDSA-N 284.384 3.632 30 20 CHED C[C@@H](N[C@@H]1COc2c(Cl)cccc21)c1ccc(C#N)cc1 365972100 OZXCOQNPVKHXJY-BDJLRTHQSA-N 298.773 3.996 30 20 CHED C#C[C@@H](NCc1nc(-c2ccccc2)cs1)C(C)C 381671301 UAWHVEQINBWZAE-CQSZACIVSA-N 270.401 3.558 30 20 CHED Cc1ccc([N+](=O)[O-])cc1OCc1ccc(CC#N)cc1 399020191 DVXXDJDXRIQHCQ-UHFFFAOYSA-N 282.299 3.548 30 20 CHED CCSc1ccc(Cl)cc1NC(=O)[C@@]1(C#N)C[C@H]1C 410452634 WOXYYEPZHFCHDY-YMTOWFKASA-N 294.807 3.940 30 20 CHED Cc1ccc(Cl)c2c1N(C(=O)CCCC#N)CCC2 411095757 RRGHBRLQQWUVQQ-UHFFFAOYSA-N 276.767 3.622 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)CC1CCCC1 412839896 MKFNMSXXOLEYHA-KRWDZBQOSA-N 271.404 3.870 30 20 CHED C=C(C)C(C)(C)c1nc(Cc2cccc(C)c2)no1 424342115 XDYRYKODGBNATA-UHFFFAOYSA-N 256.349 3.823 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 424891902 MOYGONFRFDIRST-MZMPZRCHSA-N 296.414 3.878 30 20 CHED CC(=O)c1ccsc1NCc1ccc(CC#N)cc1 427423024 XVCPONHRTSBXPG-UHFFFAOYSA-N 270.357 3.629 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@@H](C)Cc1cccs1 432095712 BUROWNMISVJFOM-LBPRGKRZSA-N 280.437 3.581 30 20 CHED C=CCC(C)(C)CNC(=O)N(C)Cc1ccccc1F 432560215 TZSGQJJCCSZBQI-UHFFFAOYSA-N 278.371 3.569 30 20 CHED C[C@@H](CCC(C)(C)C)C(=O)N1CCCC(C)(C)[C@H]1C#N 434013367 CAMHWWWBOSJSGE-UONOGXRCSA-N 278.440 3.990 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(C#N)c(Cl)c1 435597384 JCXJEMWQYYZMGL-WFASDCNBSA-N 276.767 3.605 30 20 CHED Cc1cc(C)c(C#N)c(SCC2(O)CCC(C)CC2)n1 438794913 TYYAEAXVZRFVMF-UHFFFAOYSA-N 290.432 3.603 30 20 CHED Cc1cc(CN[C@H](C)Cc2ccccc2F)ccc1C#N 443980414 MJMMXWWXZCIZFV-CQSZACIVSA-N 282.362 3.727 30 20 CHED C=CCCCC[C@H](C)NCCC(=O)N1CCCCCC1 449219010 LUMVOAMROZUZNL-INIZCTEOSA-N 280.456 3.504 30 20 CHED CC1(C#N)CCC(NCc2ccnc(C(F)(F)F)c2)CC1 449440445 ZSTDOPRYRRJRJJ-UHFFFAOYSA-N 297.324 3.662 30 20 CHED N#Cc1c(Cl)cccc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 450393631 WAPTXLBHGQJEQS-ZBINZKHDSA-N 276.767 3.581 30 20 CHED C=C[C@@H]1OCCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 450804973 NWHJMLYWYFOVKT-KGLIPLIRSA-N 296.292 3.723 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 451140731 CHYBFFKWORBAQQ-TXCZRRACSA-N 259.393 3.849 30 20 CHED C=CC(C)(C)c1nc(-c2ccccc2COCC)no1 453092855 WHKPJSKTLVMNLF-UHFFFAOYSA-N 272.348 3.737 30 20 CHED CO[C@@H](C)c1nc(CNc2cc(C)cc(C#N)c2)cs1 453146811 MZIKWRNVIHTHNX-NSHDSACASA-N 287.388 3.643 30 20 CHED CC[C@H](NCc1cnc(C2CC2)o1)c1ccc(C#N)cc1 453359519 OWGRIRCXZFLVSI-INIZCTEOSA-N 281.359 3.665 30 20 CHED C=C(CC)CN[C@H](CCCOC)c1ccc(F)cc1 453381793 XQLNYWDRDOHGIA-MRXNPFEDSA-N 265.372 3.849 30 20 CHED C=C(CC)CNC(=O)N1CCC[C@H]1/C=C/c1ccccc1 455529214 YDGMUAGKPJLDAK-FLVLSHQESA-N 284.403 3.840 30 20 CHED CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(C)cc(C#N)c1 455998777 JTMAAWOARBQJSQ-IUODEOHRSA-N 271.364 3.519 30 20 CHED C=CC(C)(C)CNC(=O)N(C)[C@H](C)Cc1cccc(F)c1 458991949 UVWKLSSOAGWIHT-CYBMUJFWSA-N 292.398 3.610 30 20 CHED Cc1c(Cl)cccc1NC(=O)NCC(C)(C)CC#N 459234706 OHYYMAUPZZPVTH-UHFFFAOYSA-N 279.771 3.710 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)C1CC1 460384016 XDIGQRYDVFQHDX-CYBMUJFWSA-N 290.455 3.678 30 20 CHED C=C(C)CN(CC)C(=O)NCC1(C)CCCCC1 461982159 NPGMZSFIMZHQOG-UHFFFAOYSA-N 252.402 3.564 30 20 CHED C=CCOCCCN1CCC[C@@H]1CCc1ccccc1 470716490 MXFISXYOLNMVDU-GOSISDBHSA-N 273.420 3.676 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccc(OCC)cc1)C(C)C 472790311 KSNTUWGCDKJSGG-QGZVFWFLSA-N 291.435 3.623 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)OC)c(C)cc1C 472821055 CEYIIBRSGHTGAF-KRWDZBQOSA-N 289.375 3.631 30 20 CHED C=CCCCCNC(=O)Nc1ccc2c(c1)C(=O)CCC2 473697425 QNJFXBSOOFCRMU-UHFFFAOYSA-N 286.375 3.683 30 20 CHED C=C(C)CNC(C)(C)c1ccc(OC(F)(F)F)cc1 475718661 ZVHZDCRUKCORRE-UHFFFAOYSA-N 273.298 3.986 30 20 CHED CC1(C)CCC[C@@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 476257939 WRPAAIYLZOKIEP-ZIAGYGMSSA-N 290.794 3.847 30 20 CHED C[C@@H]1C[C@@H](C)CN(Cc2ccc(Cl)cc2C#N)C1 480534494 ZBXOSTOANNUJOI-VXGBXAGGSA-N 262.784 3.690 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCC[C@@H]2CCC[C@H]21 480550301 GLIQUDFZKSYSSI-BLLLJJGKSA-N 274.795 3.976 30 20 CHED Cc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 483553548 CDPDSWVHVSTXBH-QGZVFWFLSA-N 294.373 3.995 30 20 CHED CC(C)(O)CCNc1cccc(Oc2ccc(C#N)cc2)c1 488207114 XLPQSLIHMXLIQJ-UHFFFAOYSA-N 296.370 3.923 30 20 CHED C[C@@H](NC1CCC2(CC1)CC2)c1ccc(C#N)cc1 488419878 KTXOASUXSRZWDY-CYBMUJFWSA-N 254.377 3.932 30 20 CHED CCCN(CCC)Cc1cc(C#N)ccc1Br 492457926 CCVGBUQQVROEHB-UHFFFAOYSA-N 295.224 3.943 30 20 CHED CC1(C)CCC[C@@H]1NCC#Cc1cccc(Cl)c1 492915186 XNNFYUKAAWJCKK-HNNXBMFYSA-N 261.796 3.860 30 20 CHED C=C(CC)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 494493257 IMBLCVNHFGXOIH-CABCVRRESA-N 265.784 3.726 30 20 CHED C=C[C@H]1CCCCN1CCCCC1CCOCC1 499716708 ACDVIBMZEJFDAP-INIZCTEOSA-N 251.414 3.624 30 20 CHED C=C(C)CCN1CCN([C@H](C)c2ccc(F)cc2F)CC1 509671606 GANVKGGNUVMDMR-CQSZACIVSA-N 294.389 3.610 30 20 CHED CCN(Cc1ccc2c(c1)CCC(C)(C)O2)C[C@H](C)C#N 509818045 FJXVWDOSFUCSHJ-CQSZACIVSA-N 286.419 3.772 30 20 CHED C=CCN(CC=C)C(=O)c1csc(Cc2ccccc2)n1 513282350 JGGDXORRKBCFQX-UHFFFAOYSA-N 298.411 3.548 30 20 CHED N#Cc1cccc(CCNc2ncc(Cl)cc2Cl)c1 516170763 YYQVIHJWQVNVOG-UHFFFAOYSA-N 292.169 3.915 30 20 CHED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 519801202 CBHMZEYJLFTGEQ-UNEWFSDZSA-N 276.424 3.647 30 20 CHED Cc1cc(C)cc(CCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 533230305 STRLLKKWLVMKPB-LIRRHRJNSA-N 298.430 3.825 30 20 CHED C=C1CCN(Cc2ncc(-c3ccccc3C)o2)CC1 533815789 MXISBRYUOULKFA-UHFFFAOYSA-N 268.360 3.802 30 20 CHED C=C(C)[C@H](CC(=O)N1CCCC[C@H]1CC(C)C)OCC 535148632 YJGSGSLUGUQHBT-HOTGVXAUSA-N 281.440 3.785 30 20 CHED C=C(CC)CN(Cc1ccccc1)C[C@@H]1CCCO1 538001983 HHWUZPGGNMXOOA-KRWDZBQOSA-N 259.393 3.634 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 539435383 WNPIULXJMXXPDK-JTQLQIEISA-N 296.754 3.723 30 20 CHED N#Cc1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)ccc1Cl 539783934 XXYXWVITVMTLAW-XHDPSFHLSA-N 288.778 3.616 30 20 CHED N#Cc1cc(C(=O)N[C@@H]2CC23CCCCC3)ccc1Cl 541595863 UCQNVZIOONTVSQ-CQSZACIVSA-N 288.778 3.664 30 20 CHED COc1cc(C#N)ccc1NCc1nc(C2CC2)cs1 546707249 KMAWGCKFMZFKTF-UHFFFAOYSA-N 285.372 3.513 30 20 CHED Cc1ccc(Cc2noc(-c3ccc(CC#N)cc3)n2)cc1 547019264 PZXGPEMTVZKUBC-UHFFFAOYSA-N 289.338 3.702 30 20 CHED C[C@@](C#N)(NC(=O)CCC1CCC1)C1CCCCC1 550743213 DTTDAMLVWBXGPQ-INIZCTEOSA-N 262.397 3.545 30 20 CHED C=CCCN1CCC(c2cccc(F)c2F)CC1 555052291 YTHDBFSQVKVKQF-UHFFFAOYSA-N 251.320 3.720 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc2nccc(C)c2c1 557033619 LGBVTDWGHXVCEF-CQSZACIVSA-N 268.360 3.628 30 20 CHED CC[C@H](C)Oc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 559877991 NVIQNBNJVRDBCG-YDHLFZDLSA-N 258.365 3.968 30 20 CHED C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(C#N)c(Cl)c1 563170470 MBHVANQGTNMCMG-SNVBAGLBSA-N 276.767 3.615 30 20 CHED C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2OC(C)(C)C1 567960679 VUHHIIMLSURIDK-SFHVURJKSA-N 287.403 3.789 30 20 CHED CC(C)(C#N)c1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 572159785 FGBMNBAMEJKIFH-UHFFFAOYSA-N 282.303 3.535 30 20 CHED C=CCN(CCOC)[C@H](C)c1ccc(C(F)(F)F)cc1 574999038 KZJXMLZVGKQJAH-GFCCVEGCSA-N 287.325 3.901 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)c2ccccc2)cc1 576145761 YNMYYBRNHYAFFZ-KBXCAEBGSA-N 292.382 3.734 30 20 CHED COc1cccc(C2(CNc3ccc(C#N)cc3F)CC2)c1 576512597 FBHUZOBGOSEQSX-UHFFFAOYSA-N 296.345 3.850 30 20 CHED C=CCn1c(-c2sccc2C)nnc1N(C)[C@H](C)CC 578177534 VXSJSFQWOFXOBL-GFCCVEGCSA-N 290.436 3.736 30 20 CHED C=CCC[C@@H](N[C@H]1CSC1(C)C)c1ccco1 584129265 RQWBKJYAPSDFRM-YPMHNXCESA-N 251.395 3.771 30 20 CHED CCc1ccc2occ(C(=O)N3CCC[C@@](C)(C#N)C3)c2c1 586806746 JRXWJTKKHIJFCA-SFHVURJKSA-N 296.370 3.761 30 20 CHED CCc1cc(NC(=O)c2cccc(CC#N)c2)ccc1F 586874510 IPARPPHUVANKAS-UHFFFAOYSA-N 282.318 3.706 30 20 CHED O=C(/C=C\c1cccc2nccn12)c1csc(Cl)c1 588558778 FGEZEOYZMLUJGQ-PLNGDYQASA-N 288.759 3.945 30 20 CHED CC(C)(CCC#N)CNc1nc(C(C)(C)C)ccc1C#N 588845083 XFDSBGMAVHCOTG-UHFFFAOYSA-N 284.407 3.993 30 20 CHED N#Cc1cc(OCc2cncc(F)c2)ccc1C(F)(F)F 589269168 OJYIQTDQXYVKFY-UHFFFAOYSA-N 296.223 3.690 30 20 CHED N#CCCCC(=O)Nc1cccc(C#Cc2cccs2)c1 589686240 YVNQXXSVOYNMEJ-UHFFFAOYSA-N 294.379 3.780 30 20 CHED CC(C)(C)Oc1ccc(-c2ccc(C#N)s2)cn1 592989378 UHMDUWXPKYOPGW-UHFFFAOYSA-N 258.346 3.859 30 20 CHED N#C[C@H]1CC[C@H](NCc2cccc3ccsc23)C1 593642953 SSPIEBWBFVXHSU-FZMZJTMJSA-N 256.374 3.683 30 20 CHED N#CC[C@@H](CC(=O)NC1CC2(CCC2)C1)c1ccccc1 593883900 WGNGNXXFWMMASD-HNNXBMFYSA-N 282.387 3.523 30 20 CHED CC[C@H](C#N)N(C)C(=O)c1oc2ccc(Cl)cc2c1C 594096859 CKAVDGZOMLTERK-LLVKDONJSA-N 290.750 3.769 30 20 CHED CC[C@@H](Cc1ccc(Br)cc1)NCCCC#N 595031413 GBZRIPGESIJMSB-AWEZNQCLSA-N 295.224 3.664 30 20 CHED CC1(C)CCC(CNC(=O)N2CCC[C@@H](CC#N)C2)CC1 595574099 PDWSSCYGJYMKIO-HNNXBMFYSA-N 291.439 3.538 30 20 CHED CC1(C)CCC(CNC(=O)N2CCC[C@H](CC#N)C2)CC1 595574100 PDWSSCYGJYMKIO-OAHLLOKOSA-N 291.439 3.538 30 20 CHED CC(C)(C)c1nc(CN2CCC[C@@H](CC#N)C2)cs1 595609354 ISKFCSJSSNRSMF-LBPRGKRZSA-N 277.437 3.566 30 20 CHED C[C@H](C#N)N(Cc1c(Cl)cccc1Cl)C1CC1 595714207 PDWOYQYUOMTOLH-SECBINFHSA-N 269.175 3.870 30 20 CHED CCO[C@@H](CC)c1noc(C[C@@H](CC#N)c2ccccc2)n1 596619733 AAGVGTITUQOAMK-CABCVRRESA-N 299.374 3.797 30 20 CHED CC(C)Oc1ccc(-c2cccc(C[C@@H](C#N)CO)c2)cc1 596635632 HHHSGEGRTFHXTQ-INIZCTEOSA-N 295.382 3.815 30 20 CHED Cc1cc(C)c(C#N)c(S[C@@H](C#N)Cc2ccccc2)n1 596681859 JKKSVCGNUCGOCJ-OAHLLOKOSA-N 293.395 3.797 30 20 CHED N#CC[C@@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 596713992 SRKPUUCZDMNKFL-NSHDSACASA-N 293.317 3.782 30 20 CHED C[C@@](C#N)(NC(=O)C1CCC2(CC1)CC2)C1CCCCC1 597248725 DDOHSZMZVVKYGV-KRWDZBQOSA-N 288.435 3.936 30 20 CHED N#Cc1cc(F)ccc1NC(=O)C1[C@H]2CCCCCC[C@H]12 598820440 VPJNSWIAIFIXAQ-KBPBESRZSA-N 286.350 3.852 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CCc3cc(C)ccc32)CC1 600856329 GIUOEJYPJCHNDQ-QGZVFWFLSA-N 284.403 3.590 30 20 CHED Cc1c(O)nc(S[C@H](C#N)C2CC2)nc1-c1ccccc1 601079991 KGUHMOKITMELPB-CYBMUJFWSA-N 297.383 3.552 30 20 CHED CCc1sc(C(=O)Nc2ccc(F)c(C#N)c2)cc1C 609103245 DCSAOWDCKXVXAN-UHFFFAOYSA-N 288.347 3.882 30 20 CHED CN(C(=O)Cc1cc2ccccc2o1)c1ccccc1C#N 611072479 HDPMTXUYDSJTMG-UHFFFAOYSA-N 290.322 3.510 30 20 CHED CC[C@@H](C)CCCCC(=O)N[C@H](C#N)C(C)(C)C 612047629 NECIOCBDOJXQQY-CHWSQXEVSA-N 252.402 3.647 30 20 CHED C[C@]1(C#N)CCCN(CCCc2ccccc2Cl)C1 612158480 LYUJHPSBINZHFB-MRXNPFEDSA-N 276.811 3.898 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@H](c2cccc(F)c2)C1 614397272 HZGGJCIPWIPSIP-SFHVURJKSA-N 294.373 3.995 30 20 CHED CCS[C@@H]1CCCCN(Cc2ccc(C#N)cc2C)C1 614400785 FHVIIFYWXGZLGQ-QGZVFWFLSA-N 288.460 3.974 30 20 CHED C[C@@]1(C#N)CCCN(Cc2cc(F)ccc2Cl)C1 614991342 NCQKHQAWCKFLBB-AWEZNQCLSA-N 266.747 3.605 30 20 CHED CC[C@@H](NC1CCC(O)(CC)CC1)c1ccc(C#N)cc1 618571480 VODJDNRLVLIZQL-LXPRWKDFSA-N 286.419 3.683 30 20 CHED Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C 618742379 XKWKDNSGSKUKTL-LJQANCHMSA-N 276.383 3.952 30 20 CHED Cc1cc(CN2CCCOc3ccccc32)ccc1C#N 618751946 DPRYRXFOEOQNNA-UHFFFAOYSA-N 278.355 3.656 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCC(F)(F)C1 619535308 AHYRZXFBCKUONK-XJKSGUPXSA-N 290.357 3.961 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)CC1CC(c2ccccc2)C1 619598539 XUIBRTIPXCLOKZ-PREGVCBESA-N 284.403 3.625 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)o2)cc1Cl 619748805 PKOWNPJDNPONNL-UHFFFAOYSA-N 281.142 3.748 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1nc(C(C)C)c(C)s1 620856799 ALUBIACGQXDTHV-UHFFFAOYSA-N 294.464 3.978 30 20 CHED C=CCN1C(=O)c2ccccc2N[C@]12CC[C@@H](C)[C@@H](C)C2 639402803 CJODITSCZLBNOJ-QWQRMKEZSA-N 284.403 3.893 30 20 CHED C=C(C)CN(CC)C(=O)[C@@H]1CCCc2ccc(OC)cc21 653543866 DBKDLDYMGBSQPH-MRXNPFEDSA-N 287.403 3.540 30 20 CHED C=CCC1(NC(=O)c2coc(C3CC3)n2)CCCCC1 654020834 MSWCYWNNLCXRSO-UHFFFAOYSA-N 274.364 3.561 30 20 CHED C=CC[C@@H]1CCCN(Cc2nc(C(F)(F)F)cs2)C1 661380672 IINZYSAECYHWAL-SNVBAGLBSA-N 290.354 3.950 30 20 CHED C=CCCC(C)(C)NC(=O)NCc1cc(C)cc(OC)c1 664512189 WAUASWNMJVVNEA-UHFFFAOYSA-N 290.407 3.548 30 20 CHED C=CCC1(NC(=O)NCCCC(C)(C)COC)CCCC1 664901151 XBELTIJORBCGKT-UHFFFAOYSA-N 296.455 3.627 30 20 CHED C=C[C@H]1CCCCN1Cc1cncc(Br)c1C 668078795 UXLCRBVGFZRFAG-ZDUSSCGKSA-N 295.224 3.693 30 20 CHED C=CCc1ccccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 668531192 PSLCZSMUDXMBOH-HUUCEWRRSA-N 287.403 3.583 30 20 CHED C=CCCN(C)C(=O)c1ccc(C#Cc2ccccc2)cc1 682438951 PQZZAPLBPCCUIA-UHFFFAOYSA-N 289.378 3.735 30 20 CHED C=CC[C@H](C)NCCC1CCN(C(=O)OC(C)(C)C)CC1 695261975 XCTRBNQLEABHNU-AWEZNQCLSA-N 296.455 3.578 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)O)s1 709362006 GXVRUJGDGFSLHM-YPMHNXCESA-N 279.405 3.671 30 20 CHED N#Cc1ccc(N2CCC[C@@H](CF)C2)cc1Br 711518756 NKAYRYNUXZAIHX-JTQLQIEISA-N 297.171 3.507 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc2ncccc12 720530634 SQPCRZXLEDXJEY-ZDUSSCGKSA-N 267.376 3.653 30 20 CHED C#CCCOC(=O)CCn1c2ccccc2c2ccccc21 727042182 VYBOGCKGHFNQNJ-UHFFFAOYSA-N 291.350 3.751 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2cccc(Cl)c2)c1 728482371 HNYOGBGQEJQYSV-UHFFFAOYSA-N 297.785 3.917 30 20 CHED C=CCCOC(=O)Cc1cc(Cl)ccc1Cl 729072271 FHMVHIARHLEVCP-UHFFFAOYSA-N 259.132 3.655 30 20 CHED Cc1cc(C=NNc2nncc3ccccc23)ccc1F 729140482 IRQBSCBVULMJAR-UHFFFAOYSA-N 280.306 3.523 30 20 CHED C[C@@H]1CCCC1=NNc1ncnc2c1oc1ccccc12 729143860 TUOFDBOCAQYESY-SNVBAGLBSA-N 280.331 3.964 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)CC1=CCCCC1 730175865 IWQXWZPVHRNLLB-UHFFFAOYSA-N 285.362 3.678 30 20 CHED C=CCN(C(=O)C[C@H](C)Cc1ccccc1OC)C(C)C 730475160 YSJIWJSYNJOQFJ-OAHLLOKOSA-N 289.419 3.687 30 20 CHED C[C@@H]1CCCC[C@@H]1CCNC(=O)/C=C/c1ccccc1C#N 733945625 ZXHRDPQFLQJUQQ-NUPWCOBBSA-N 296.414 3.904 30 20 CHED C=CCN(C(=S)N[C@@H](CC)c1cccs1)C(C)C 734375022 RTXPNJULVRCRRW-LBPRGKRZSA-N 282.478 3.970 30 20 CHED N#Cc1ccc(SCc2ccc(C(=O)O)cc2)c(F)c1 739132428 QINURWPSGKUOGB-UHFFFAOYSA-N 287.315 3.688 30 20 CHED C=CCCON=Cc1cc(Cl)c(OCC)c(OC)c1 740872505 DDYVMVZZNPEPQV-UHFFFAOYSA-N 283.755 3.674 30 20 CHED CC1(C)[C@H]2OCCC[C@H]2[C@H]1/N=C/c1cc(Cl)ccc1O 741465765 YCHUYTHKMUNLTE-SQZKDSCKSA-N 293.794 3.668 30 20 CHED C=C(Cl)CNC(=O)N1CCCC2(CCCCCC2)C1 743620783 QUXLNZSROZMVQB-UHFFFAOYSA-N 284.831 3.885 30 20 CHED C=C(C)CCOC(=O)COc1c(C)cc(C)cc1C 744303678 PLNCTKHWDJWRJJ-UHFFFAOYSA-N 262.349 3.500 30 20 CHED CCCCCCCCOC(=O)c1cnc2n[nH]c(C)c2c1 744778808 KHQUNMBJUGMHQQ-UHFFFAOYSA-N 289.379 3.784 30 20 CHED CCOc1ccccc1C=NNc1cc([N+](=O)[O-])ccc1C 747061950 QFRUJNFRFZLIPW-UHFFFAOYSA-N 299.330 3.748 30 20 CHED CC[C@@H](SC)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 747200988 MZNHVRSAOPDRDF-SWLSCSKDSA-N 284.384 3.553 30 20 CHED CC(C)[C@@H]1CCCC1=NNc1nc2ccccc2[nH]1 747741359 SFSUSFCEFJZVLB-NSHDSACASA-N 256.353 3.787 30 20 CHED CC(C)(C)OCCON=Cc1ccccc1C(F)(F)F 747809937 CJVNCWWPXJNWKW-UHFFFAOYSA-N 289.297 3.871 30 20 CHED C=C(Cl)CN1CCc2c(Br)cccc2C1 750286425 VUYNAHONTLKNDJ-UHFFFAOYSA-N 286.600 3.560 30 20 CHED Fc1ccc(NN=C[C@@H]2CCOc3ccccc32)c(F)c1 752156911 IUTVFNGRUGMZSO-NSHDSACASA-N 288.297 3.929 30 20 CHED C#CC(C)(C)NC(=O)Nc1ccc(Cl)cc1Cl 752265940 MCDFRBMLKWMNNR-UHFFFAOYSA-N 271.147 3.527 30 20 CHED CC[C@H](C(=O)O[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 752574326 QNXSNJFDVWBHFF-CABZTGNLSA-N 285.265 3.654 30 20 CHED C#CCN(C(=O)NCC1(C2CC2)CCC1)C1CCCCC1 752687614 VOYRNGUKXLBCQP-UHFFFAOYSA-N 288.435 3.544 30 20 CHED CC(C(=O)N(CCC#N)CCC(C)C)=C1CCCC1 753605700 ADARIRCKIMWWMP-UHFFFAOYSA-N 262.397 3.665 30 20 CHED CCCCCCCN[C@H](COC)c1ccc(C)o1 754344339 NLKFBWLNRVICLB-CQSZACIVSA-N 253.386 3.836 30 20 CHED C=CCc1cc(CN(CCC)CCC)c(O)c(OC)c1 754724149 PQQRQJRYJYUXHO-UHFFFAOYSA-N 277.408 3.751 30 20 CHED CCCCCCCCNC(=O)c1cn(C)nc1C(C)C 754855047 STIHISWXOIHTFI-UHFFFAOYSA-N 279.428 3.634 30 20 CHED C=C(C)[C@H](CC(=O)Oc1ccc(C)cc1C)OCC 755429393 BZQDHUCSOSMKGS-HNNXBMFYSA-N 262.349 3.580 30 20 CHED CCC(Cc1ccccc1)=NN=c1cc[nH]cc1Cl 756837954 FPOWIRVROCTUAW-UHFFFAOYSA-N 273.767 3.578 30 20 CHED COc1cc(C(=O)O)ccc1NN=C[C@@H](C)c1ccccc1 756905859 NLNZGULHZHJJPK-GFCCVEGCSA-N 298.342 3.595 30 20 CHED COCc1ccc(/C=C\C(=O)c2ccc(F)cc2O)cc1 757475076 GTYRRKJJVYLLGL-TWGQIWQCSA-N 286.302 3.574 30 20 CHED CC[C@@H]1CCCC1=NNc1oc(CC(C)C)nc1C#N 758374989 MKZCSSCTATXKSK-LLVKDONJSA-N 274.368 3.723 30 20 CHED Cc1ccc(COC(=O)c2ccccc2OCC#N)cc1C 758425435 NNVKYGJKWMBRSP-UHFFFAOYSA-N 295.338 3.563 30 20 CHED C[C@@H]1CC[C@H](CC(=O)OCc2cc(C#N)ccc2F)C1 759417458 DMGSLKRRGUKPOV-NEPJUHHUSA-N 275.323 3.567 30 20 CHED CC(C)CC1(C(=O)Nc2cc(C#N)ccc2O)CCCC1 759716882 FLDPZIHRPNTIKJ-UHFFFAOYSA-N 286.375 3.809 30 20 CHED C=CCCC(=O)COC(=O)c1cc2ccccc2cc1OC 761367784 ZAALZZCGSBWIQJ-UHFFFAOYSA-N 298.338 3.541 30 20 CHED CCCCCCCC[C@@H](C)CC(=O)N[C@@H](C)C#N 762449439 YLJORGFMFUTCCV-KGLIPLIRSA-N 252.402 3.791 30 20 CHED COC(=O)c1coc(C(=O)/C=C\c2ccccc2Cl)c1 766503375 WWLKGZCKRYWIQA-SREVYHEPSA-N 290.702 3.616 30 20 CHED C#CCCCN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 766902386 HXPAIZRZGLHBKF-QZTJIDSGSA-N 255.405 3.976 30 20 CHED C[C@H]1CC(=NNc2nncc3ccccc23)CC[C@H]1C 767357672 ITAFIZODYVDOPH-NEPJUHHUSA-N 268.364 3.854 30 20 CHED C[C@H]1OCCC1=NNc1c(Cl)cc(F)cc1Cl 767910759 WUSCEKGTMZFMIY-ZCFIWIBFSA-N 277.126 3.709 30 20 CHED COc1cccc(CC(=O)OCCCCC(C)(C)C#N)c1 768362268 NXNZNWYFGYOPKH-UHFFFAOYSA-N 289.375 3.501 30 20 CHED CCC(=CC(=O)OCCCCC(C)(C)C#N)CC 768768390 GRCVXVZBFVSVGA-UHFFFAOYSA-N 251.370 3.996 30 20 CHED C#CCN(Cc1ncccc1C(F)(F)F)C1CCCCC1 769146312 SLKSJEFBZABLDC-UHFFFAOYSA-N 296.336 3.868 30 20 CHED CC(C)=CCCC(C)=NN1CCc2ccccc2C1=O 769597468 JGJRVGFBOYYGQC-UHFFFAOYSA-N 270.376 3.807 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(F)cc1 769830540 QSNDMPUHDAJQCT-UHFFFAOYSA-N 291.257 3.709 30 20 CHED CC[C@@H](C#N)Oc1cccc(CN[C@H]2C[C@H]3CC[C@H]2C3)c1 772983497 IYVJRNQVXVIMMY-MBGYTDRXSA-N 284.403 3.646 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@H](C)[C@@H](C)C1 773092595 GJIYXLWGLOIUDJ-RYUDHWBXSA-N 260.385 3.824 30 20 CHED Cc1ccc(C(=O)/C=C/c2cccc(C(=O)O)c2)c(C)c1 774117561 XWWLTABZUKBOOM-VQHVLOKHSA-N 280.323 3.898 30 20 CHED CC[C@@H](NCCc1cnc(C)s1)c1ccc(C#N)cc1 774266667 RLCGEOHVDSCIPS-MRXNPFEDSA-N 285.416 3.607 30 20 CHED C#C[C@H](N[C@@H]1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CCCO1 775573169 WUEWNXJMERXPKI-QYZOEREBSA-N 299.389 3.532 30 20 CHED N#CC1(CNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 776005271 KQIIMCNNBWTVMJ-UHFFFAOYSA-N 298.336 3.948 30 20 CHED C=CCCOCCCCC(=O)O[C@H]1CCC[C@@H](C)C1 776083508 XGVUUDPDZPOARN-CABCVRRESA-N 268.397 3.871 30 20 CHED Oc1ccc(C=NNc2ccccc2OC(F)(F)F)cc1 777452412 WDLPIIRJUMOBOW-UHFFFAOYSA-N 296.248 3.737 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H]1CCc2ccccc21 779774361 VLOUQZUEUVIQGT-QGZVFWFLSA-N 269.388 3.716 30 20 CHED CC(=NN=c1cc[nH]cc1)[C@H](C)c1nc2ccccc2s1 779809842 VWKBIAWFZFVHNX-NSHDSACASA-N 296.399 3.705 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)Oc2ccc(C#N)cc2F)C1 779985762 IMKATYCODGKICF-PJXYFTJBSA-N 275.323 3.675 30 20 CHED CC/C(C)=C(/C)C(=O)N[C@](C)(C#N)C1CCCCC1 779993602 PKWBXQDBGGRECU-BFFYNSAMSA-N 262.397 3.712 30 20 CHED C=CCOc1cccc(/C=C2/Cc3cc(O)ccc3C2=O)c1 780188256 MUIFKRVVEYLSGY-DHDCSXOGSA-N 292.334 3.779 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(-c2cc(C)ccc2F)[nH]n1 782015885 NFWWEVHIPPBBFK-UHFFFAOYSA-N 299.349 3.512 30 20 CHED CO[C@H](C(C)=NNc1ccc(C(=O)O)cc1)c1ccccc1 782096224 IIEACRYDUAWNCA-MRXNPFEDSA-N 298.342 3.560 30 20 CHED O=C(/C=C/c1cc(F)c(O)c(F)c1)c1ccnc(Cl)c1 782192878 CDWDPUUTWOCQGB-OWOJBTEDSA-N 295.672 3.615 30 20 CHED C=C(Cl)CN[C@H]1CCCSc2ccc(OC)cc21 783251854 MINOAPYDBYGMKY-ZDUSSCGKSA-N 283.824 3.964 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCCS2)n1 783402644 ZHRGVAOLMBGCKU-PWSUYJOCSA-N 294.445 3.728 30 20 CHED C[C@H]1CCC(=NNc2cc(C#N)cc(Cl)n2)[C@@H](C)C1 783861998 BAMUFVCCJPPGPT-UWVGGRQHSA-N 276.771 3.831 30 20 CHED CC(C)(C#N)CCCOC(=O)c1csc(Cl)c1 784879113 IHEMIILRCNNNPW-UHFFFAOYSA-N 271.769 3.888 30 20 CHED Cc1cc(C(F)(F)F)ccc1C=NOCC(F)(F)F 785457713 PZAQHLUJZDLXCN-UHFFFAOYSA-N 285.187 3.927 30 20 CHED COc1cccc(/C=N\Cc2cccc3cc[nH]c23)c1O 786027498 KEONHJIDXLJDSS-WQRHYEAKSA-N 280.327 3.501 30 20 CHED C#CCC1(C(=O)NCc2ccc(F)c(F)c2)CCCCC1 788173296 ROWQHEXMJAQDKI-UHFFFAOYSA-N 291.341 3.555 30 20 CHED Clc1ccc(NN=CC2CCC3(CC2)OCCO3)cc1 788698430 APUVLRXLUOVKLW-UHFFFAOYSA-N 294.782 3.671 30 20 CHED COc1cc(NN=C2CCC2(C)C)ccc1Cl 789055238 VUBPFOQXCMNFDX-UHFFFAOYSA-N 252.745 3.937 30 20 CHED COc1ccc(C(=O)/C=C/c2cn3cc(C)ccc3n2)cc1 789126288 FBAZPTYJYKBSCQ-RMKNXTFCSA-N 292.338 3.547 30 20 CHED Cn1ccnc1NN=C1CCC2(CCCCC2)CC1 790302941 NVXKWEBRFDSEFC-UHFFFAOYSA-N 260.385 3.713 30 20 CHED CC(C)(C#N)c1ccc(C(=O)OCCC2CCC2)cc1 796826803 CMSGDNPYBPZXJR-UHFFFAOYSA-N 271.360 3.835 30 20 CHED CC/C=C/CCOC(=O)C(C)(C)c1cc(F)cc(C#N)c1 796859904 QUMZENAZNQJYAF-AATRIKPKSA-N 289.350 3.874 30 20 CHED Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)c1ccc(C#N)o1 797012454 KVQSLXBXWVHMEL-XHDPSFHLSA-N 281.311 3.865 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 798482051 GUJCREHQCZRKCZ-MFKMUULPSA-N 298.308 3.617 30 20 CHED CCCC[C@H](C)C(=O)Oc1c(Cl)cc(C#N)cc1OC 799861694 UOFODKQYMNFARJ-JTQLQIEISA-N 295.766 3.952 30 20 CHED Cc1cc(C(=O)/C=C\c2cccc(OCC#N)c2)oc1C 799897384 OXHSGVAJOYLWCF-SREVYHEPSA-N 281.311 3.695 30 20 CHED C#C[C@@H](C)N(C)C[C@H](C)c1ccc(C(F)(F)F)cc1 800381834 KNXGEQCFXAFFSB-NWDGAFQWSA-N 269.310 3.762 30 20 CHED COc1ccc(CCNN=C2CCC[C@H]2CCCF)cc1 800812605 HZQVNVSDJICBOK-HNNXBMFYSA-N 292.398 3.733 30 20 CHED CC(C)(C)SCCn1ccc(-c2ccc(C#N)cc2)n1 802730701 YUFADEAQOUOKTB-UHFFFAOYSA-N 285.416 3.953 30 20 CHED C=CCCCCCCNC(=O)c1nc(Cl)sc1C 805219098 VZMWMJSPGQHVRA-UHFFFAOYSA-N 286.828 3.971 30 20 CHED O=C1/C(=C/c2c[nH]c(C(F)(F)F)c2)COc2ccccc21 806565799 RYGBVWWEFHKGNG-BJMVGYQFSA-N 293.244 3.692 30 20 CHED N#CC1(CSc2n[nH]c(Cc3ccccc3)n2)CCCC1 806593767 KUUISILFOXQWNU-UHFFFAOYSA-N 298.415 3.572 30 20 CHED C(=NN(c1ccccc1)c1ccccc1)c1cnccn1 807944084 WRAWRQNYKYYFHL-UHFFFAOYSA-N 274.327 3.649 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(C)cc1O 807988134 ALHATRSPBHHIIU-UHFFFAOYSA-N 299.330 3.753 30 20 CHED C#CCCCCNCc1cscc1C(F)(F)F 810147884 MIASHBPLWCVXEU-UHFFFAOYSA-N 261.312 3.660 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1cc(Cl)cs1 811667579 YLRNEBOFYHBUGY-LLVKDONJSA-N 294.807 3.793 30 20 CHED CC(=NNc1c(C)cccc1C(C)C)c1cc(C)nn1C 812232047 PQSVTXJZPRRKDI-UHFFFAOYSA-N 284.407 3.996 30 20 CHED CC(C)[C@H](C=NOCCC1CC1)CNC(=O)OC(C)(C)C 814245487 USKFCZXRRIBHGI-AWEZNQCLSA-N 298.427 3.586 30 20 CHED Fc1ccc(CC=NOCCC2CC2)c(Cl)c1 814247215 WSFZGPJDMPMXKO-UHFFFAOYSA-N 255.720 3.824 30 20 CHED COc1cccc(NN=Cc2cccc3cc[nH]c23)c1 814776800 CWYIEJPZGVMNQU-UHFFFAOYSA-N 265.316 3.623 30 20 CHED Clc1ccc(CNN=Cc2ncc(Cl)s2)cc1 814875312 BTSVIBAFUJBMKO-UHFFFAOYSA-N 286.187 3.574 30 20 CHED O=C(O)c1ccc(NN=C2CC[C@@H](c3ccccc3)C2)nc1 814890612 ULBRPJKOEMOHFF-CYBMUJFWSA-N 295.342 3.515 30 20 CHED CC1(C)CCC/C(=C\c2ccc(C#N)c(F)c2)C1=O 817346373 RTJPKASJNKMPDL-XYOKQWHBSA-N 257.308 3.860 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(C)s1 819148791 DLFKTBRBJMYMPP-NSHDSACASA-N 251.395 3.836 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 822406332 INQPBLNPJVMUHG-QAPCUYQASA-N 299.414 3.739 30 20 CHED C#CCCOc1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 822432775 LZHAAFNHDLRESS-WBVHZDCISA-N 299.414 3.739 30 20 CHED C#CCO[C@@H](C)C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 827458309 WXDNMDPNAYASTM-YJBOKZPZSA-N 299.414 3.512 30 20 CHED CC(=NNc1nc(-c2ccncc2)no1)[C@@H]1CCCC[C@H]1C 834951625 BJPHWDWZDPJQCL-BXUZGUMPSA-N 299.378 3.746 30 20 CHED CC(=NN[C@@H](C)C(F)(F)F)c1c(F)cccc1Cl 834998540 VDUGHJSFIOCQHN-ZETCQYMHSA-N 282.668 3.744 30 20 CHED COC(=O)c1ccc(NN=C2CCC[C@H]2CCF)c(F)c1 835023392 GYAXDJACLDKNLL-JTQLQIEISA-N 296.317 3.540 30 20 CHED CC/C(C)=C/C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 835103817 MXBFLUIHFZUKNB-RUNBWSAHSA-N 297.383 3.738 30 20 CHED CC[C@H](CC(F)(F)F)C(=O)OCC#CC(C)(C)C 835390283 LNSNUCUAFXDZRH-SNVBAGLBSA-N 264.287 3.558 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(C(F)(F)F)cc2)C1 839043774 NTLXMPOYPAFGSF-MFKMUULPSA-N 297.276 3.945 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCc2ccc(Cl)cc2)C1 839046704 QOHBGTKKCHCQDF-HIFRSBDPSA-N 291.778 3.898 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2ccc(Cl)cc2)C1 839046705 QOHBGTKKCHCQDF-UKRRQHHQSA-N 291.778 3.898 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2ccc(Cl)s2)C1 839048098 LDGPNJIIGSQZRJ-GHMZBOCLSA-N 297.807 3.960 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)CCc2ccc3[nH]ccc3c2)C1 839049222 FJXOARLGJZPKRU-GDBMZVCRSA-N 296.370 3.726 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2ccc(Cl)s2)C1 839057902 IJSIWBWGWPLRSB-ZJUUUORDSA-N 283.780 3.570 30 20 CHED CSC1(C(=O)OCCC2(C#N)CCCCC2)CCC1 840533022 ZVXWLDQZWRSDSF-UHFFFAOYSA-N 281.421 3.679 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccc2ccnc(Cl)c2c1 841365994 SYXXOEVYFPXCFE-UHFFFAOYSA-N 287.750 3.767 30 20 CHED CC(=NNc1ccnc(F)c1)[C@H]1C[C@H]2C=C[C@H]1CC2 842530044 NQLKUASEEHEJCH-SGMGOOAPSA-N 259.328 3.611 30 20 CHED CCN(CCO)N=C(C)c1ccc(Oc2ccccc2)cc1 842533877 CEKJWEPHRFYWST-UHFFFAOYSA-N 298.386 3.517 30 20 CHED COCC(CC(C)(C)C)=NNc1ccccc1F 844575792 IVCYWLZGMVYEPE-UHFFFAOYSA-N 252.333 3.676 30 20 CHED C=CCC[C@@H](C)NCCC[C@@H]1CC1(Cl)Cl 846112420 ZRVSCHBJFJMWBW-GHMZBOCLSA-N 250.213 3.905 30 20 CHED C=CCCSCCN[C@@H]1CCc2nc(Cl)ccc21 850502062 JHXWOWSZSRCWIE-GFCCVEGCSA-N 282.840 3.621 30 20 CHED N#CC1(COC(=O)c2ccc(C3CC3)cc2)CCCC1 850932896 OUEDYJHJKVRVOW-UHFFFAOYSA-N 269.344 3.805 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 850979128 IOBOXURGOPXQSX-HRCADAONSA-N 271.360 3.642 30 20 CHED Cc1nc(C(C)C)oc1C(=O)O[C@H](C)CC(C)(C)C#N 851204832 VRCGGCYKKIYNED-SNVBAGLBSA-N 278.352 3.592 30 20 CHED CCCC[C@@](C)(F)C(=O)O[C@@H](C)CC(C)(C)C#N 851205873 MUUOFWAIQQRMDY-SMDDNHRTSA-N 257.349 3.776 30 20 CHED CCOc1ccccc1C=NOCCC1SCCS1 853639074 GDFSDKXWIYMFGK-UHFFFAOYSA-N 297.445 3.632 30 20 CHED C=CCC(CC=C)C(=O)N(C)c1ccc(C#N)c(Cl)c1 876167125 KXFUCTUKEXMWGX-UHFFFAOYSA-N 288.778 3.943 30 20 CHED C=CC[C@@H](NCCc1ccc(C)cc1)c1ccncc1 877046716 RHWZWCJLCXXAHL-GOSISDBHSA-N 266.388 3.840 30 20 CHED C=CCC1(O)CCN([C@H]2CCCc3ccc(F)cc32)CC1 886773976 FJWNJFGHOVCTII-KRWDZBQOSA-N 289.394 3.606 30 20 CHED C=C1CCC(C(=O)N2CCCc3ccccc3C2)CC1 888843314 ZVPIOBFRLHFDCF-UHFFFAOYSA-N 269.388 3.708 30 20 CHED C=CC[C@@H](C(=O)Nc1cnn(C2CCC2)c1)c1ccccc1 889056839 JLFVUPRXFASNHS-QGZVFWFLSA-N 295.386 3.907 30 20 CHED C=C1CCC(c2nc(-c3c(C)noc3C)no2)CC1 896418674 ZEQUTQVIYHDKRD-UHFFFAOYSA-N 259.309 3.555 30 20 CHED C=CCC[C@@H](C)Nc1ccc2c(c1)N(C(=O)CC)CC2 897768367 XZLFXFLSADWFRT-CYBMUJFWSA-N 272.392 3.752 30 20 CHED O=C(C1CC=CC1)N(O)Cc1cccc2ccccc12 900091692 IGOBALPPOXXQAA-UHFFFAOYSA-N 267.328 3.524 30 20 CHED Cc1cc(Cl)c2c(c1)[C@@H](NCC1(C#N)CC1)CCCO2 903106395 PDVXQYPGGKSVBX-AWEZNQCLSA-N 290.794 3.756 30 20 CHED CC(C)(C)[C@@H]1CCCN(C(=O)c2ccsc2C#N)C1 907922495 XYBITAKDZPHALU-LLVKDONJSA-N 276.405 3.518 30 20 CHED CCCOc1ccc(C/N=C/c2ccccc2O)cc1OC 914835962 ZCHMAKVSVNLECK-CPNJWEJPSA-N 299.370 3.809 30 20 CHED Oc1ccc(/C=N\Cc2csc3ccccc23)c(O)c1O 915982319 WVOFZOCLYSBHQO-IDUWFGFVSA-N 299.351 3.637 30 20 CHED Cc1cc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc(C)c1O 915989110 YEFBXSSCOKVWON-CHHVJCJISA-N 296.322 3.639 30 20 CHED C/C(=C/C(=O)[C@H](C#N)c1ccc2ccccc2n1)C1CC1 916849933 XBLYXGZNEXWTBS-KUGGDMIFSA-N 276.339 3.767 30 20 CHED C#CCN(Cc1ccccc1C#N)[C@H]1CCc2ccccc21 917116960 AWQHDVPSANAHKY-FQEVSTJZSA-N 286.378 3.681 30 20 CHED Cc1cc(C)cc(NN=Cc2cccc3c2OCCO3)c1 917540014 HYHJQWGZKITGJB-UHFFFAOYSA-N 282.343 3.521 30 20 CHED C=CCCOC(=O)Cc1coc2c(C)c(C)ccc12 918502064 UZYWGVSEEYYCPR-UHFFFAOYSA-N 258.317 3.711 30 20 CHED N#Cc1c(NC(=O)C=C2CCCCC2)sc2c1CCC2 919977770 DENRXHOOXONGGV-UHFFFAOYSA-N 286.400 3.937 30 20 CHED FC(F)(F)c1ccc(NN=C/C=C/c2ccco2)nc1 920362497 AIYRSIRQEPCQRR-QWKORFERSA-N 281.237 3.805 30 20 CHED C#Cc1ccc(CNc2cnn(C3CCCC3)c2)cc1 922622421 MTZLSJGGUKZXIR-UHFFFAOYSA-N 265.360 3.592 30 20 CHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCc2cc(C#N)ccc21 926603095 SZOSSZLITNRIEC-CXAGYDPISA-N 281.403 3.854 30 20 CHED CCCCC[C@](C)(CC)C(=O)N1CCC[C@H](C#N)C1 928219337 UJFDDUWJBPRTOS-ZBFHGGJFSA-N 264.413 3.745 30 20 CHED CC(C)[C@@H]1N(C(=O)Nc2sccc2C#N)CC1(C)C 931836194 BZMXAQABEPBHRD-NSHDSACASA-N 277.393 3.518 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cncc(Cl)c2)C1 932126392 GRDZGXHXRGMOSW-NSHDSACASA-N 279.771 3.555 30 20 CHED C[S@@](=O)c1ccc(C=NNc2cccc(Cl)c2)cc1 1116209211 IQDHWKDNUUIAQO-LJQANCHMSA-N 292.791 3.523 30 20 CHED CCN(C(=O)c1nc(C)cs1)[C@H](C)c1ccc(C#N)cc1 1116214354 OFYAIKFJLJJFEI-GFCCVEGCSA-N 299.399 3.547 30 20 CHED CCC(Cc1ccc(OC)c(OC)c1)=NOC(C)(C)C 1116410046 QWBUMQYRCOIHQB-UHFFFAOYSA-N 279.380 3.827 30 20 CHED Cc1cccc(CCc2nnc(-c3ccc(C#N)cc3)o2)c1 1117243265 RFBGWWUNGVTTBY-UHFFFAOYSA-N 289.338 3.702 30 20 CHED C=CCCCCCCNC(=O)c1c[nH]c(Br)c1 1117330275 QYGIDQFFAYURIW-UHFFFAOYSA-N 299.212 3.644 30 20 CHED CC[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2C)CC1 1126031131 YPGOIAKYZOBZBB-CQSZACIVSA-N 270.376 3.519 30 20 CHED CC(C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)cn2)CC1 1163112690 KJROPDNTLFARIC-HUUCEWRRSA-N 257.381 3.970 30 20 CHED CN(C/C=C/c1cccc(F)c1)Cc1ccc(C#N)cc1 1204728978 JAQYXZVTGVJBKR-HWKANZROSA-N 280.346 3.843 30 20 CHED N#CC1(c2nnc(-c3ccc(Cl)cc3Cl)o2)CCC1 1261429200 ROZFOKKDIDEVGB-UHFFFAOYSA-N 294.141 3.989 30 20 CHED CCCSC[C@H](C)Nc1ccc(OCC#N)cc1 1262480717 SVIMVJABMZVPMK-LBPRGKRZSA-N 264.394 3.533 30 20 CHED Cc1cccnc1[C@H](C)Nc1ncc(Cl)c(C)c1C#N 1262712146 VANIUCBUVWXXKR-NSHDSACASA-N 286.766 3.792 30 20 CHED N#Cc1ccc2c(c1)CCCN2Cc1ccc2c(c1)CCC2 1307804305 VQCCNSNCRYADNR-UHFFFAOYSA-N 288.394 4.000 30 20 CHED COc1ccccc1C1(NCc2cccc(C#N)c2)CCC1 1319798451 JYLMYOWMJOREFO-UHFFFAOYSA-N 292.382 3.736 30 20 CHED C=CCn1cnnc1SCc1cccc(Cl)c1F 1320936303 VRJIKWRNAXKUKL-UHFFFAOYSA-N 283.759 3.549 30 20 CHED CCOc1ccc(CSCCC(C)(C)C#N)nc1 1326248381 JZXYOTYTHYRXSL-UHFFFAOYSA-N 264.394 3.653 30 20 CHED C=C(C)C(C)(C)c1nnc(COc2cccc(C)c2)o1 1326961010 VPNVQKPHSXZMMQ-UHFFFAOYSA-N 272.348 3.811 30 20 CHED Fc1cc(Cl)ccc1-c1nnc(C#Cc2ccccc2)o1 1327310292 RFLZIBIGNCJRFL-UHFFFAOYSA-N 298.704 3.929 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1c1nnc(COc2ccccc2C#N)o1 1333090471 IUUHBNVJVIYKEM-CXAGYDPISA-N 297.358 3.670 30 20 CHED Cc1ccccc1Cc1noc(-c2csc(C#N)c2)n1 1333201760 KZYNFVQYTXVSLE-UHFFFAOYSA-N 281.340 3.569 30 20 CHED Cc1cnc([C@@H](N[C@@H](C)CC(C)(C)C#N)C2CC2)s1 1336660727 ZPPKZXUKURZXCA-GWCFXTLKSA-N 277.437 3.821 30 20 CHED CC[C@H](N[C@H]1CCC[C@H](F)C1)c1cccc(C#N)c1 1339192792 HFEDTUJZMUWPRK-JYJNAYRXSA-N 260.356 3.880 30 20 CHED CC/C=C(/C)C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 1341183021 NVMHJGQSMBLJCH-SMJHDNPOSA-N 294.354 3.724 30 20 CHED C=CCCc1nnc(Cc2cccc3ccccc23)o1 1341519321 LNEOVVSKTVGUDQ-UHFFFAOYSA-N 264.328 3.932 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)cc1 1341523997 MWVFPGTVVUVESB-BPQIPLTHSA-N 298.430 3.990 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)[C@H](C)c1cccs1 1345045585 OBWCJBVKVDKAKT-UONOGXRCSA-N 299.395 3.620 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccc(-c2nncn2CC)c1 1345065109 NMGLWDOBGHNSLA-ZDUSSCGKSA-N 298.390 3.506 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 1345107129 CARSENJCLRHJOD-OAHLLOKOSA-N 269.348 3.521 30 20 CHED C=C[C@H](C(=O)N(C1CCC1)C1CCC1)c1ccccc1 1347002856 JBIJJYDYUKGEHX-KRWDZBQOSA-N 269.388 3.890 30 20 CHED C=C[C@@H](COC)NCc1ccc(-c2cccs2)cc1 1347357285 QGJASZMWPRXHHD-HNNXBMFYSA-N 273.401 3.706 30 20 CHED CCCc1nc(C)c(-c2nnc(-c3cccc(C#N)c3)o2)o1 1349986663 PTRYYKYHHOESNM-UHFFFAOYSA-N 294.314 3.524 30 20 CHED CC(C)(C)n1cc(CSCc2cccc(C#N)c2)cn1 1350502317 XQSPROCWBDOWHX-UHFFFAOYSA-N 285.416 3.943 30 20 CHED COc1cc(C#N)ccc1C(=O)N[C@@H](C)CCC(C)(C)C 1435205573 FZZCDFLNTPTWHU-LBPRGKRZSA-N 288.391 3.511 30 20 CHED COc1cc(OCc2ccc(C)cc2C)ccc1C#N 1459048786 FJVBLIQFBAWSCX-UHFFFAOYSA-N 267.328 3.763 30 20 CHED N#Cc1ccnc(NC(=O)c2ccc(Cl)c3occc23)c1 1459113338 RSEBKCPWKZIKFV-UHFFFAOYSA-N 297.701 3.605 30 20 CHED CSc1cc(C)ccc1NC(=O)Cc1ccc(C#N)cc1 1460964579 NJBQSPPEPWQQPE-UHFFFAOYSA-N 296.395 3.770 30 20 CHED CO[C@@]1(C)C[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C1(C)C 1461885187 URFABFMPAVLIBH-AEFFLSMTSA-N 286.419 3.502 30 20 CHED CC(C)C(CNC(=O)Nc1cc(F)cc(C#N)c1)C(C)C 1467152803 UUZMWJRRKAAIEW-UHFFFAOYSA-N 291.370 3.747 30 20 CHED CCC[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C1CCC1 1468901669 WZCPEDLVLPYKAS-HNNXBMFYSA-N 290.794 3.910 30 20 CHED CCCOc1ccc(Nc2cccc(C#N)n2)c(C)c1 1472665281 LJWLQBFWTPGZLB-UHFFFAOYSA-N 267.332 3.794 30 20 CHED C=CCC[C@H]1CCCN1C(=O)Nc1noc2c1CCCC2 1517856413 VRKVRBJIQMTJHE-LBPRGKRZSA-N 289.379 3.516 30 20 CHED Cc1c(C#N)cccc1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1517998445 TXCGUHYOTRJYFV-OUCADQQQSA-N 270.376 3.878 30 20 CHED Cc1cc(F)c(C(=O)Nc2cccc(CC#N)c2)cc1F 1545046151 CIKDKQMUAVDLDV-UHFFFAOYSA-N 286.281 3.592 30 20 CHED CCC1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCCCC1 1584703274 ONOWJVDPCAABGT-KBPBESRZSA-N 263.381 3.972 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc(C(=O)O)cc1F 1588777707 GSSFHAKKTCAVHV-CQSZACIVSA-N 279.355 3.748 30 20 CHED C[C@H](SCc1cccc(C(=O)O)n1)c1cccc(C#N)c1 1593661664 KPPZBNNAEVZHDI-NSHDSACASA-N 298.367 3.646 30 20 CHED Cc1ccc(CN2CCc3c(C#N)cccc32)cc1F 1618691251 FEYZDNUOCGLADS-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CCC[C@H](C)[C@@H]1CCCN1Cc1ccc(C#N)c(OC)c1 1621164206 UAJMRSLPZSJALS-YOEHRIQHSA-N 286.419 3.967 30 20 CHED Cc1cc(=NCC[C@@H](C)CC(C)(C)C)c(C#N)c[nH]1 1639785340 YUNLTKQJFBMVIF-GFCCVEGCSA-N 259.397 3.558 30 20 CHED N#Cc1ccc(N[C@@H]2C[C@H]2C2CCC2)cc1Br 1655593458 WRIDGWMCVRXEFR-GXTWGEPZSA-N 291.192 3.921 30 20 CHED Cc1cccc(N(C)Cc2ccc(C#N)c(C)c2)c1 1658788177 NIBNQSLJCYUQQF-UHFFFAOYSA-N 250.345 3.812 30 20 CHED CC[C@H](C)N(CC)Cc1ccc(C#N)cc1Br 1659398533 PMTOKJUBBLJNST-NSHDSACASA-N 295.224 3.941 30 20 CHED Cc1ccc2c(c1)CCN2C(=O)Nc1ccc(F)c(C#N)c1 1668716490 UREPYFFMVVAJCO-UHFFFAOYSA-N 295.317 3.600 30 20 CHED CCc1ccccc1C=NNc1ccc(F)c(C(=O)O)c1 1776064190 BZBXEFLPCFEWDS-UHFFFAOYSA-N 286.306 3.532 30 20 CHED CC[C@@H](NN=C1CCCCC[C@H]1c1ccccc1)C(=O)O 1776066853 HQKGVYGDXMGRMF-LSDHHAIUSA-N 288.391 3.543 30 20 CHED C=CCCCCCCCCCN=c1cc[nH]cc1C(=O)O 1776172547 YREVNNCUZLTGMU-UHFFFAOYSA-N 290.407 3.920 30 20 CHED C=CCN(Cc1ccccc1)[C@H](C(=O)O)c1ccccc1F 1776180799 GGQOFGLIVHPMDB-KRWDZBQOSA-N 299.345 3.640 30 20 CHED C[C@@H](Nc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 19916133 QIFUJMQWULPSOY-GFCCVEGCSA-N 280.327 3.503 30 20 CHED N#Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1 35368135 HXXBRNISBORKKD-UHFFFAOYSA-N 287.706 3.732 30 20 CHED CN(CCOc1cccc(C#N)c1)C1CCCCCC1 36328525 YKWBVTYSHMMNQC-UHFFFAOYSA-N 272.392 3.592 30 20 CHED Cc1cc([C@@H](C)Nc2ncccc2C#N)c(C)s1 42373654 BSVLVMCGLKEIMC-SNVBAGLBSA-N 257.362 3.805 30 20 CHED CCCCS[C@@H](C)C(=O)N[C@H](C)c1ccc(C#N)cc1 48733815 JKAPBFPTUKQNIU-OLZOCXBDSA-N 290.432 3.657 30 20 CHED N#Cc1cc(Cl)ccc1N1Cc2ccccc2C1 52859773 MXEQJHQSWHISBN-UHFFFAOYSA-N 254.720 3.732 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(Cl)cn1C 53464918 HHXBVSADSAZVEB-UHFFFAOYSA-N 294.807 3.568 30 20 CHED C=CCCC(=O)Nc1cc(Br)ccc1C 54400226 RNFUGZFDWLDYJK-UHFFFAOYSA-N 268.154 3.662 30 20 CHED C=CCOc1cccc(NC(=O)c2sc(C)nc2C)c1 55723075 LGSNGELTOXBTMW-UHFFFAOYSA-N 288.372 3.577 30 20 CHED C=CCN(C(=O)c1ccc2c(c1)COC2)c1ccccc1 64387796 OCXIEQUSJQCEJI-UHFFFAOYSA-N 279.339 3.550 30 20 CHED CC(C)=CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 66397727 RUACBZBPMKNREN-OAHLLOKOSA-N 270.376 3.631 30 20 CHED C=CCSc1nnc2c(Cl)cc(C(F)(F)F)cn12 72742367 CMYIUMSUTRCRJU-UHFFFAOYSA-N 293.701 3.680 30 20 CHED N#Cc1ccc(Sc2c(F)cc(F)cc2F)nc1 77308239 UDFRJCHVZPNZPK-UHFFFAOYSA-N 266.247 3.522 30 20 CHED COc1ccc(NCc2cccc(OCCCC#N)c2)cc1 77402066 LUIWRCKNUYYEFI-UHFFFAOYSA-N 296.370 3.990 30 20 CHED N#CCCCOc1ccc(C(=O)c2ccc(F)cc2)cc1 78800241 VZHYOEKHRXEKEA-UHFFFAOYSA-N 283.302 3.739 30 20 CHED CC(C)c1csc([C@H](C#N)C(=O)CCc2ccco2)n1 80452678 LCUQIGMXTWUIDA-GFCCVEGCSA-N 288.372 3.669 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccco1 90665715 PINXTKLRYIODQV-DZGCQCFKSA-N 254.333 3.975 30 20 CHED CC[C@H](C#N)OC(=O)c1cc(C)c(Br)cc1C 91867800 CCWMFXQVMOLDLB-SNVBAGLBSA-N 296.164 3.525 30 20 CHED N#Cc1cccc(N[C@@H]2CCCc3ccc(F)cc32)n1 92976483 CCHVBAWSPYIECS-OAHLLOKOSA-N 267.307 3.582 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)C1(C#N)CCCCC1 94328668 PRVRLDCUQSCPHQ-CYBMUJFWSA-N 262.397 3.545 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1F 96124593 OZZVPLQVEPKSAL-YWEYNIOJSA-N 274.266 3.870 30 20 CHED C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)C1 98024874 MVYXFWZVRYBNBD-DZGCQCFKSA-N 285.391 3.700 30 20 CHED CN(CC#N)C(=O)c1ccc(SCc2ccccc2)cc1 101515199 SKNLWWQILQKSKV-UHFFFAOYSA-N 296.395 3.574 30 20 CHED CCc1cc(C#N)c(NC(=O)c2cccc(F)c2F)s1 102237045 BWQHBBZYOWGJDC-UHFFFAOYSA-N 292.310 3.713 30 20 CHED CCC/C(N)=N/OCc1cc(-c2ccc(Cl)cc2)no1 105605119 NNDZEKXIWYJDQA-UHFFFAOYSA-N 293.754 3.584 30 20 CHED CC(C)Sc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 110286306 KNMBHGUQQQGXRS-UHFFFAOYSA-N 297.383 3.706 30 20 CHED C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)cc1 111410816 XXJIWNSRPJPOKS-SCLBCKFNSA-N 262.356 3.581 30 20 CHED C=CC[C@H](C)NC(=O)c1ccccc1SC(C)C 116850126 JCJRELQGHIIKKX-LBPRGKRZSA-N 263.406 3.882 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1c(C)cccc1OC(F)F 117006028 BGASIWBTPHJLJN-SNVBAGLBSA-N 284.306 3.683 30 20 CHED C=CCNc1nnc(SCCc2cccs2)s1 121179473 NJVUGIFAKBPDHE-UHFFFAOYSA-N 283.447 3.532 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cc(Br)ccc1F 122337471 DXYDOOSVOGIQDH-VIFPVBQESA-N 299.187 3.789 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@@]1(C)CC 123078513 AXKRVDAAHGOOHI-FUHWJXTLSA-N 287.403 3.646 30 20 CHED C=CCC(CC=C)C(=O)Nc1ccc(OCC)c(F)c1 125622448 FYOWPOXUYUDLFD-UHFFFAOYSA-N 277.339 3.931 30 20 CHED CCN(CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 127648333 OFXULOLMFOEAHQ-UHFFFAOYSA-N 274.261 3.580 30 20 CHED C=C(C)CN(CC)[C@H](C)c1nnc(-c2cccs2)o1 127972492 HFOALVIFWABHFY-LLVKDONJSA-N 277.393 3.757 30 20 CHED C=C[C@H](C)NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 128687909 PNOFKAAAIDWUSV-VHSXEESVSA-N 286.297 3.640 30 20 CHED C=CCC(CC=C)C(=O)NCC(C)(C)c1ccccc1F 129151657 KKZGRFCILCSTPC-UHFFFAOYSA-N 289.394 3.988 30 20 CHED CC(C)Oc1ccc(NC(=O)c2ccccc2F)cc1C#N 130781850 NCSMRPXHQCBOQB-UHFFFAOYSA-N 298.317 3.737 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(OC)cc1Br 132830035 VXAWTVRTZMWKDB-UWVGGRQHSA-N 284.197 3.683 30 20 CHED Cc1ccc(Cn2nc(C(C)(C)C)c(CCC#N)c2O)cc1 151841589 HGBOIWIUJHIVJJ-UHFFFAOYSA-N 297.402 3.699 30 20 CHED C[C@H](CC#N)N(C)C(=O)CCC(C)(C)c1ccccc1 152816366 MOVAAMRHQVVMAX-CQSZACIVSA-N 272.392 3.505 30 20 CHED C=CCCCNc1ccc(-c2nccc(C)n2)cc1 157187208 FGZVRBHQCVBFRR-UHFFFAOYSA-N 253.349 3.830 30 20 CHED N#CCCCOc1cccc(CNc2ccc(F)nc2)c1 157712280 NMWKCHUUVRRKKT-UHFFFAOYSA-N 285.322 3.515 30 20 CHED CCCCc1ccc(OC[C@H](C#N)CCC#N)cc1 157823038 VAAFZTVGPCCWHY-HNNXBMFYSA-N 256.349 3.852 30 20 CHED COc1ccccc1[C@H]1CCN(Cc2cccc(C#N)c2)C1 157993508 QLQQBJBLKRAWHC-KRWDZBQOSA-N 292.382 3.556 30 20 CHED C=C(C)CN(CC)Cc1ncc(-c2ccccc2F)o1 158274853 LVUDDGIOHROKAL-UHFFFAOYSA-N 274.339 3.879 30 20 CHED N#Cc1cc(CSc2nnc(C3CC3)s2)ccc1F 158640404 FPQVJIBNLOYFOP-UHFFFAOYSA-N 291.376 3.719 30 20 CHED N#Cc1ccc(N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 160640905 VAUJMASMFMVLML-MSOLQXFVSA-N 278.355 3.890 30 20 CHED C=C(C)CNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 161085435 SMILIZCQZARVMR-LLVKDONJSA-N 285.309 3.891 30 20 CHED Cc1ccc(C#N)c(N2CC[C@H](c3ccccc3)[C@@H]2C)n1 161767459 PUVWDYIDFLWIGQ-YOEHRIQHSA-N 277.371 3.644 30 20 CHED CC[C@@H](C#N)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 170946590 PCSIEVKKLGZUDG-SKDRFNHKSA-N 299.201 3.590 30 20 CHED COc1ccc2c(c1)CC/C(=C\c1cccnc1Cl)C2=O 171350433 FFTPFVAMHFZYNY-FMIVXFBMSA-N 299.757 3.956 30 20 CHED C[C@H]1CN(c2ncc(C#N)cc2Cl)[C@@H]1c1ccccc1 172789159 XHQHNAKMKDLLTE-NHYWBVRUSA-N 283.762 3.804 30 20 CHED C=CC1CCN(C(=O)[C@@H](C)CCc2cccc(F)c2)CC1 173314224 PGHHQSXFCLHNJF-AWEZNQCLSA-N 289.394 3.819 30 20 CHED CC(C)(CCC#N)CNCc1ccccc1OCC1CC1 174420319 CVOKJOYGLLOMFI-UHFFFAOYSA-N 286.419 3.895 30 20 CHED CN(CCCOc1ccccc1)CCCC(C)(C)C#N 174819481 FFNGEBIQZSQBDR-UHFFFAOYSA-N 274.408 3.717 30 20 CHED CCc1ccc(C(C)(C)C(=O)[C@H](C#N)c2ccccn2)cc1 175098414 ZYGAVQCJHINLGX-MRXNPFEDSA-N 292.382 3.798 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 175655946 DYSBWWGSWANBAD-QGZVFWFLSA-N 271.404 3.885 30 20 CHED Cc1ccc(C(=O)N(C)c2cc(Cl)ccc2C#N)s1 176424285 FQZKLQBOMCPYGW-UHFFFAOYSA-N 290.775 3.858 30 20 CHED CCCCCCCN(CCC#N)Cc1ccccn1 178390254 IRMSRIOQXPLKNE-UHFFFAOYSA-N 259.397 3.768 30 20 CHED C[C@@H](NC1CCN(C2CCCC2)CC1)c1ccc(C#N)cc1 178643814 HXSMBWIRHFYYBN-OAHLLOKOSA-N 297.446 3.616 30 20 CHED CC(C)(NCc1ccc(F)c(C#N)c1)c1cccc(F)c1 179567487 CGCWKJYTANRURN-UHFFFAOYSA-N 286.325 3.861 30 20 CHED C=C(C)CN(C)C(=O)CCCCc1ccc(C)cc1 180384461 DSEPSWBVGDSDRU-UHFFFAOYSA-N 259.393 3.742 30 20 CHED C=C(C)CN(C)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 180423060 RMTURSPVSJRHCN-QWRGUYRKSA-N 281.758 3.617 30 20 CHED Cc1nscc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 180444919 GWRSCDPIUJIFHS-SECBINFHSA-N 291.401 3.522 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1csc(CC)n1 180760560 DQXXDLKZYIYBMY-VXGBXAGGSA-N 295.452 3.811 30 20 CHED C=C(C)CN(C)C(=O)N[C@H](C)c1cc2ccccc2o1 181122562 IKRJHEJFKGIYSL-GFCCVEGCSA-N 272.348 3.711 30 20 CHED CCCCCCCCCN(C)C(=O)c1c[nH]c(C#N)c1 181243043 ZYPACLGRTMOSGL-UHFFFAOYSA-N 275.396 3.709 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(C)cc1OCCC 181600419 NAFJDJXZRKGADT-UHFFFAOYSA-N 276.380 3.824 30 20 CHED C[C@H](CN[C@H](C)c1cccc(C#N)c1)Oc1cccc(F)c1 181827175 RNVKGAQNRCGWIV-ZIAGYGMSSA-N 298.361 3.815 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](CC)OC1CCCC1 182651861 FLMHXRPEWXHWCJ-HIFRSBDPSA-N 267.413 3.585 30 20 CHED C=CCCC(=O)Nc1ccc2cccc(Cl)c2n1 182699999 BNZPGQWMJRAMLS-UHFFFAOYSA-N 260.724 3.793 30 20 CHED O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F 182725163 UHLQCPWAYKSYHV-RMKNXTFCSA-N 289.237 3.769 30 20 CHED CCCCOc1ccc(CN[C@H](CC)CC#N)cc1OC 184097696 HLHUNBAVAYRGRI-OAHLLOKOSA-N 290.407 3.656 30 20 CHED CCSc1cccc(/C=C/C(=O)c2cnn(C)c2C)c1 184763394 BXBSGMBORGWQLR-CMDGGOBGSA-N 286.400 3.737 30 20 CHED CC#CCCCC(=O)NC1(c2cccc(Cl)c2)CC1 185650959 OJFKRXNLWGZEKG-UHFFFAOYSA-N 275.779 3.639 30 20 CHED CC#CCCCC(=O)Nc1cccc(N(C)C(C)C)c1 185747857 MKQYVIJPLSHGFH-UHFFFAOYSA-N 272.392 3.663 30 20 CHED C=C(C)[C@@H](N[C@H](C)C1CC1)c1ccc(F)c(F)c1 186446550 JOKXIZZNWCODNY-MEBBXXQBSA-N 251.320 3.970 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 187209396 WNYKHWBARFFLJY-GFCCVEGCSA-N 298.390 3.538 30 20 CHED C=C(C)[C@@H](NCC(OCC)OCC)c1ccc(F)c(F)c1 187768601 ZKAXCNKMXKVNLM-MRXNPFEDSA-N 299.361 3.571 30 20 CHED CC[C@H](CC#N)OC(=O)c1cncc(-c2ccccc2)c1 188096806 WNJUZCZLIMVLRU-MRXNPFEDSA-N 280.327 3.598 30 20 CHED C[C@H](Sc1ccc([N+](=O)[O-])cn1)c1cccc(C#N)c1 189864720 UEYPIFGJMYIVLP-JTQLQIEISA-N 285.328 3.715 30 20 CHED C#CCCCC(=O)Nc1ncc(-c2ccc(F)cc2)s1 191721404 CQHIATNBTMVXAM-UHFFFAOYSA-N 288.347 3.691 30 20 CHED C#CCCCC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 192171185 UPVFTIXBBFVTHU-UHFFFAOYSA-N 283.415 3.672 30 20 CHED C=CCCCN1CCC(C(=O)c2ccc(F)cc2)CC1 192467032 CAKDHJWFUKPPIG-UHFFFAOYSA-N 275.367 3.687 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cccc(C(F)F)c1 195420604 RNDOGFXBDGFBGS-JTQLQIEISA-N 269.291 3.544 30 20 CHED O=C1CC2(CCCCC2)CC(=O)C1=CNc1ccccc1 196577182 PVDSBSHMBDBXRF-UHFFFAOYSA-N 283.371 3.865 30 20 CHED CC(=NOCc1c(Cl)cccc1Cl)c1cnn(C)c1 252463509 KURIWPSITYAQJV-UHFFFAOYSA-N 298.173 3.668 30 20 CHED CCOC(=O)c1ccc(/C=C\C(=O)C2CCCCC2)o1 255010505 ZIZDCMOBKUPMFM-NTMALXAHSA-N 276.332 3.619 30 20 CHED N#CCC1(COC(=O)/C=C\c2nc3ccccc3s2)CC1 255582594 FTNUEYYLRXMPMD-WAYWQWQTSA-N 298.367 3.547 30 20 CHED CCc1nc2cc(N=Cc3cccc(OC)c3O)ccc2o1 255678696 HIGHXPOCNAMAIX-UHFFFAOYSA-N 296.326 3.855 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccccc1OC(C)C)OCC 270038034 NJQAWGYUNZFROO-MRXNPFEDSA-N 291.391 3.784 30 20 CHED Cc1nnc(SCCCCC(C)(C)C#N)c(C#N)c1C 277715806 NVZYVLVFHJZUOS-UHFFFAOYSA-N 288.420 3.777 30 20 CHED N#CCCN(CCC#N)Cc1ccc(C2CCC2)cc1 278921664 UZOWZZGYRMKAMC-UHFFFAOYSA-N 267.376 3.583 30 20 CHED C[C@H](CSC[C@@H](C#N)CCC#N)c1ccccc1 280192318 DCYNTZKXSLNWQI-ZIAGYGMSSA-N 258.390 3.967 30 20 CHED CCC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 291373297 DIBNXRNYEMKBGB-HUUCEWRRSA-N 272.392 3.625 30 20 CHED C=CCN(CCC#N)C(=O)c1coc2cc(C)c(C)cc12 292586152 YYLISTRSAGQPNB-UHFFFAOYSA-N 282.343 3.592 30 20 CHED C[C@H]1CCCN(Cc2ccc(NC(=O)CCCC#N)cc2)C1 292610366 MYCSXDQICDZJLB-HNNXBMFYSA-N 299.418 3.551 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(CCC#N)Cc1ccccn1 294565445 LGWGIINTOPQJJU-WBVHZDCISA-N 299.418 3.540 30 20 CHED N#Cc1cc(CNc2ccc([C@H]3CCOC3)cc2)ccc1F 297600862 HZOCEMJTUFVTFW-HNNXBMFYSA-N 296.345 3.813 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2nncs2)cc1 298674528 PRWFADXYOKURBF-HNNXBMFYSA-N 287.388 3.746 30 20 CHED C[C@@H]1C[C@H]1[C@@H](Nc1ccc(C#N)nn1)c1ccc(Cl)cc1 301963703 JDDXXGIVMUHYMW-HQQWDMGQSA-N 298.777 3.811 30 20 CHED C#CCCNc1cc(F)c(Br)c(Cl)c1 307441080 ZOZFHDDVJLFSQY-UHFFFAOYSA-N 276.536 3.677 30 20 CHED CC(C)(CC#N)CNC(=O)Cc1ccc(Cl)c(Cl)c1 315813378 RPMHEJYCFGWZGI-UHFFFAOYSA-N 299.201 3.592 30 20 CHED N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCCc2ccccc21 317153421 IPRPJVBAMYWSCI-MRXNPFEDSA-N 294.329 3.756 30 20 CHED OC(=Nc1ccc2nc[nH]c2c1)[C@@H]1[C@H]2CCCC[C@H]21 329042219 DSJXLZZSFRUNNI-YABSGUDNSA-N 255.321 3.587 30 20 CHED C[C@@H]1CCc2nc(N=C(O)CC[C@@H]3CCOC3)sc2C1 329626512 VMFKEQRSADYABC-GHMZBOCLSA-N 294.420 3.673 30 20 CHED C[C@@H](SCC1CC1)C(O)=N/C(O)=N/C1CCCCC1 329630130 VJAWEDXLFUGRSY-SNVBAGLBSA-N 284.425 3.721 30 20 CHED Cc1nnc(CC/N=C(/O)C2(C)CCCCCC2)s1 329748076 ZUFXMLONPKBJBT-UHFFFAOYSA-N 281.425 3.706 30 20 CHED N#C[C@@H]1CCC[C@H]1/N=C(/O)c1cccc2ccsc12 329835563 MDRIXYGQSVRRET-WCQYABFASA-N 270.357 3.898 30 20 CHED CC1(NC(=O)C[C@@H](CC#N)c2ccccc2)CCCCC1 331061724 OJYXEHLIGLPOPN-MRXNPFEDSA-N 284.403 3.913 30 20 CHED CCOCc1cccc(N=C(O)N[C@@H]2CC[C@H](C)C2)c1 331290500 JUSKTFMKFIASRQ-SWLSCSKDSA-N 276.380 3.547 30 20 CHED C[C@H]1C[C@@H](NCc2ccc(C#N)s2)c2ccccc21 334779369 ZQWUKXOCBBGWRL-MEDUHNTESA-N 268.385 3.958 30 20 CHED Cc1cc(C(=O)N2CCC(CC#N)CC2)c(C)cc1Cl 335264079 MGVIASUALITKJC-UHFFFAOYSA-N 290.794 3.723 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](c2cccnc2)C1 335418750 VXZWSPALIIVYSY-KSSFIOAISA-N 277.371 3.504 30 20 CHED N#Cc1cccc(C2(NC(=O)c3ccccc3Cl)CC2)c1 336491948 YDCYJNRKYGBUEZ-UHFFFAOYSA-N 296.757 3.631 30 20 CHED CCc1c(C)sc(NC(=O)c2csnc2C)c1C#N 336555435 WSEYFHGLVUSNBZ-UHFFFAOYSA-N 291.401 3.508 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1CCCC(F)(F)C1 336581015 GXUQCAUZLDSARR-GFCCVEGCSA-N 278.302 3.517 30 20 CHED CCc1cccnc1NC(=O)c1cccc(SCC#N)c1 337571499 BZHVGFJHGVPLHQ-UHFFFAOYSA-N 297.383 3.512 30 20 CHED C=CCCC(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 338663976 FDBBOHGMMVUMAJ-OAHLLOKOSA-N 286.419 3.823 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@H](C)c1ccccn1 339266343 YKJUVWDXWVAVBW-CQSZACIVSA-N 298.361 3.539 30 20 CHED CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cccc(C#N)c1 341239977 GFIVXFYFVMZVBW-VXGBXAGGSA-N 259.353 3.504 30 20 CHED C=C(C)CN(C)C(=O)c1cc(F)c(C(F)(F)F)cc1F 342615910 YYYBWKMOZJQJBM-UHFFFAOYSA-N 293.235 3.632 30 20 CHED C=C(CNC(=O)c1ccccc1SC)c1ccccc1 345788857 VFLIVWXBRNLCTL-UHFFFAOYSA-N 283.396 3.852 30 20 CHED CC(C)(C)CNC(=O)c1cn(CCCC#N)c2ccccc12 345844732 KDAVOHQYIBBKRR-UHFFFAOYSA-N 297.402 3.721 30 20 CHED C[C@@H](C(=O)NCC(C)(C)CCC#N)c1c(F)cccc1F 345968065 RMGCOWIKZKFFMY-LLVKDONJSA-N 294.345 3.514 30 20 CHED C=CC[C@@H]1N(C(=O)c2cccc(C#N)c2)CCCC1(C)C 347441945 LVOAGFGYPHVVMS-INIZCTEOSA-N 282.387 3.765 30 20 CHED C=CC[C@H]1N(C(=O)c2ccc(C#N)cc2)CCCC1(C)C 347469621 ORNJBLFVHNBRTP-MRXNPFEDSA-N 282.387 3.765 30 20 CHED N#CCCN(Cc1ccc2occc2c1)CC1CC1 347821972 SNGPEPKCUIKKQX-UHFFFAOYSA-N 254.333 3.558 30 20 CHED C=CCC(C)(C)CNC(=O)c1cnc([C@@H](C)OCC)s1 352544453 ATVIRSBGUALCLR-LLVKDONJSA-N 296.436 3.573 30 20 CHED CC(C)(CCC#N)CNC(=O)NCC1(C)CCCCC1 354181735 WQEGBBDAHMDGGO-UHFFFAOYSA-N 279.428 3.586 30 20 CHED CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 355656871 OOPLPMPVGKZBMS-IMRBUKKESA-N 285.391 3.611 30 20 CHED C[C@@H]1CCC[C@@H](c2noc(C3(C#N)CCCC3)n2)C1 356229249 XWVWXPAHZXLIJK-VXGBXAGGSA-N 259.353 3.699 30 20 CHED C[C@H]1CCC[C@H](c2noc(-c3cc(C#N)cs3)n2)C1 356229258 XZAQMMQOFWJLGD-ONGXEEELSA-N 273.361 3.963 30 20 CHED C=CCN(CCc1ccco1)C(=O)N(C)Cc1ccccc1 358645687 ZOKVOGRVETVNQB-UHFFFAOYSA-N 298.386 3.562 30 20 CHED CC(C)[C@@H](NCCCCC#N)c1cc(F)ccc1F 358752975 PQAMLRWGIISDCM-OAHLLOKOSA-N 266.335 3.945 30 20 CHED CCOC(=O)C[C@@H](C)SCc1ccc(Cl)cc1C#N 358791491 ONXNKYKKGVMOGO-SNVBAGLBSA-N 297.807 3.787 30 20 CHED CC[C@@H](C)n1ncc(NCc2cccc(C#N)c2)c1C 359803281 PZUOBCAASGLFLB-GFCCVEGCSA-N 268.364 3.646 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CCC3(CCC3)CC2)cc1 367690060 TZGUBFPDDJMQII-OAHLLOKOSA-N 284.403 3.744 30 20 CHED N#C[C@@H]1CCC[C@H](NC[C@H]2CCCN(c3ccccc3)C2)C1 369475375 DOIOUYOTCIHWLE-KURKYZTESA-N 297.446 3.575 30 20 CHED C=CCCCCCCNc1c([N+](=O)[O-])c(C)nn1CC 380477759 KICVLKAVZXDJFA-UHFFFAOYSA-N 280.372 3.668 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)O)c(Cl)c1 393751080 VSDBXXCVWICZLZ-SECBINFHSA-N 296.754 3.514 30 20 CHED C=CC[C@@H](CC)NC1CCC(NC(=O)OC(C)(C)C)CC1 393764931 OYMIYOGFKLRJQP-WLYUNCDWSA-N 296.455 3.767 30 20 CHED C=CC[C@@H](CC)N[C@H](C)c1ccc2c(c1)OCCCO2 393773243 CERDMWVOUUADMZ-UKRRQHHQSA-N 275.392 3.853 30 20 CHED N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)cc1F 403985500 HFJDJBVHYDYCIO-GOEBONIOSA-N 272.367 3.709 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccc(OC2CCC2)cc1 410139202 WZZWOSAIQZVDGY-AWEZNQCLSA-N 273.376 3.702 30 20 CHED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1ccc(F)cc1 410142745 ZOCZTACHBNQLLN-DOMZBBRYSA-N 263.356 3.790 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1ccc(SC(C)C)cc1 410830884 XFAMIZFIWOWLBX-CQSZACIVSA-N 290.432 3.951 30 20 CHED N#Cc1ncc(C(F)(F)F)cc1NC(C1CC1)C1CC1 413048333 WNUVZDZZHRHUNV-UHFFFAOYSA-N 281.281 3.573 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C(F)F 413979088 AJEHGDUQNXJELS-ZDUSSCGKSA-N 281.346 3.581 30 20 CHED C[C@H](NCC(C)(C)OCC1CC1)c1ccc(C#N)c(F)c1 414279207 ZOFTUERSEPZPKB-LBPRGKRZSA-N 290.382 3.553 30 20 CHED CCc1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 418144172 JVLXYXGLFMCPKH-INIZCTEOSA-N 297.427 3.744 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C)c(C)n2)n1 420500744 HDHDQHMKNCZASB-UHFFFAOYSA-N 257.337 3.602 30 20 CHED N#CCCC[C@H](NC(=O)[C@]12CCC[C@H]1C2)c1ccccc1 421572773 FOBTXOADKSOXJU-BQFCYCMXSA-N 282.387 3.728 30 20 CHED N#Cc1ccc2c(c1)CCCC[C@@H]2NCC1(N)CCCCC1 423185347 VHAXCTBYWURNSI-SFHVURJKSA-N 297.446 3.577 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H](C)Cc1ccccc1C 424600958 LMZMUIPLKSXDJT-CQSZACIVSA-N 259.393 3.645 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(F)cc1F 426045245 VLGGIZXNNSSMFJ-AAEUAGOBSA-N 294.345 3.776 30 20 CHED FC(F)(F)c1ccc(C#CCN2CC[C@H]3CCC[C@@H]32)cc1 426468385 FOXRUYJNJJQSPH-ZBFHGGJFSA-N 293.332 3.931 30 20 CHED CCC[C@@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)C(C)C 434011014 GXFRMGNVTDWQCD-ZIAGYGMSSA-N 264.413 3.599 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccccc1Cl 435667974 SDYQQNFIAHUYBM-WWGRRREGSA-N 279.811 3.972 30 20 CHED N#Cc1ccc(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)cc1C#N 435865715 CPPKGWBFQWYNEN-STQMWFEESA-N 293.370 3.585 30 20 CHED C=CCCCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 437268298 MVTAJRLPVNTGNQ-ZWNOBZJWSA-N 281.758 3.808 30 20 CHED C=C[C@@](C)(CCOC)C(=O)NCC(CC)(CC)CC 437910285 WDCNAWQGSXDNDN-HNNXBMFYSA-N 269.429 3.548 30 20 CHED N#C[C@@H]1CC[C@@H](Nc2cccc(C(F)(F)F)c2)C1 442860260 BPWBPVOKMPXCCJ-BXKDBHETSA-N 254.255 3.810 30 20 CHED CC(C)[C@H]1CCCCN1c1ccc(C(F)(F)F)c(C#N)n1 443507548 BNFKDMWNBJRNHX-CYBMUJFWSA-N 297.324 3.987 30 20 CHED C=CC[C@@H]1N(C(=O)NCCc2ccco2)CCCC1(C)C 444889878 OKKNKHSFIWWDCL-HNNXBMFYSA-N 290.407 3.598 30 20 CHED COc1c(C)cc(CN2CCCC(C)(C)[C@@H]2C#N)cc1C 446975035 NZSBVINSZNLJCN-INIZCTEOSA-N 286.419 3.826 30 20 CHED C=CC[C@@H]1N(C(=O)NC[C@H]2CCSC2)CCCC1(C)C 448256549 PHLKPSVSPLULAD-KGLIPLIRSA-N 296.480 3.516 30 20 CHED CC(C)CCOc1cccc(NC(=O)[C@@]2(C#N)C[C@H]2C)c1 448794074 ARNNMTOMKDYMHF-CXAGYDPISA-N 286.375 3.600 30 20 CHED Cc1ccccc1[C@H](NC(=O)c1cc(C#N)[nH]c1C)C(C)C 448971070 SCCHGONHWXHJAE-QGZVFWFLSA-N 295.386 3.630 30 20 CHED C=C(CC)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 449733736 JMNATXLRAJWUOS-JYRVWZFOSA-N 260.337 3.554 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C 451640200 CROUNKJKBLENHF-HOCLYGCPSA-N 271.404 3.993 30 20 CHED C=CC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F 451825726 DGHNSCWYODIDPH-CYBMUJFWSA-N 299.336 3.736 30 20 CHED C=CC(C)(C)CNC(=O)c1cc(C)oc1C(F)(F)F 452774078 KASOMPWDPFASRT-UHFFFAOYSA-N 275.270 3.549 30 20 CHED COc1ccc(OCCCNc2cccc(CC#N)c2)cc1 453146799 MXIQPWRXNCNLNF-UHFFFAOYSA-N 296.370 3.642 30 20 CHED C=CCOc1ccc(Cc2nc(CCC(=C)C)no2)cc1 453175199 BVGIQAYBRKWOQA-UHFFFAOYSA-N 284.359 3.734 30 20 CHED CC(F)(F)CCN[C@H]1CCCCc2cc(C#N)ccc21 453216592 HOMZFOKSZOPZQR-HNNXBMFYSA-N 278.346 3.961 30 20 CHED C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(C)(F)F 453299591 UWROSOZQMPQFFH-NHYWBVRUSA-N 278.346 3.959 30 20 CHED CC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1ccsc1 455677653 DPDPRVATTWZRCJ-UHFFFAOYSA-N 284.384 3.827 30 20 CHED C=CCC1(NC(=O)C[C@H]2CCC[C@H](OC)C2)CCCCC1 456359960 CRXOSXJZFNWXKP-HOTGVXAUSA-N 293.451 3.977 30 20 CHED C=CCC1(CNC(=O)C(C)(C)c2cccnc2)CCCC1 456488964 SVMKLKSQLQMMCK-UHFFFAOYSA-N 286.419 3.612 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCCC1(C)C 460567333 XANFQRGPNXNUKH-ZDUSSCGKSA-N 276.428 3.747 30 20 CHED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(CC)C1CCCC1 460929498 QIZHCWRMJAIRFH-UHFFFAOYSA-N 299.422 3.618 30 20 CHED CC(C)CC1(CNC(=O)[C@@H](C)c2cccc(C#N)c2)CCC1 462175377 KXKAREVDTIJDAA-HNNXBMFYSA-N 298.430 3.994 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1Cc1ccccc1 466404863 DEZLCJIBVUYIPW-SJORKVTESA-N 286.419 3.758 30 20 CHED C=CCCN(C)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 466980288 FLJWUPRURQVQLX-HNNXBMFYSA-N 288.435 3.960 30 20 CHED C=C(C)CN(Cc1ccccc1)C[C@@H]1CC[C@H](C)O1 470913859 SSPASNZACPCYHE-RDJZCZTQSA-N 259.393 3.632 30 20 CHED CC(C)(NCC1(C#N)CC1)c1ccc(OC(F)(F)F)cc1 475715827 OBCNQBUVUPSUKC-UHFFFAOYSA-N 298.308 3.714 30 20 CHED CC[C@H]1[C@H](C)CCN1c1ncc(Cl)c(C)c1C#N 475735326 SBIADCNJLCWLBZ-RNCFNFMXSA-N 263.772 3.540 30 20 CHED CCCCN(Cc1ccc(Cl)cc1C#N)C1CC1 480497175 FAXXUQCJWFOFON-UHFFFAOYSA-N 262.784 3.976 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(Br)c(C)cc1C 486344843 PNYVJMDPMLWHHL-SNVBAGLBSA-N 297.196 3.762 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)CC1CCCCC1)OCC 487249109 QLHBKMSGVCHXQV-GOEBONIOSA-N 281.440 3.833 30 20 CHED C#C[C@H](N[C@@H](C)[C@H]1CCCOC1)c1ccc(Cl)cc1F 491229437 GYPFOVUZRAZRTQ-MKBNYLNASA-N 295.785 3.558 30 20 CHED C#CCN(C(=S)Nc1ccc(Cl)cc1Cl)C1CC1 491748655 YHDXIOLGJXZLJC-UHFFFAOYSA-N 299.226 3.788 30 20 CHED CCOc1c(Cl)cccc1CN(CCC#N)CC1CC1 494991676 CMUAZIKBBSUECY-UHFFFAOYSA-N 292.810 3.864 30 20 CHED COC(=O)Nc1cccc(N=Cc2ccccc2O)c1C 496007424 QLKMFMCLRSLJIU-UHFFFAOYSA-N 284.315 3.630 30 20 CHED N#Cc1ccc(SCc2ccc(OC(F)F)cc2)nc1 497626676 FHSHOJAFLHRJMI-UHFFFAOYSA-N 292.310 3.847 30 20 CHED COC(=O)c1cccc(CSc2ccc(C#N)cc2)c1 507187737 LEMGMUUVRAEWEL-UHFFFAOYSA-N 283.352 3.637 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H](C)C(C)(F)F)CCCC1(C)C 508073005 IFSHSPXOJQJINF-NEPJUHHUSA-N 273.367 3.871 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc(C#N)c1C 509564915 XLZXMFLYAXXRGC-GOSISDBHSA-N 290.366 3.592 30 20 CHED C=CCOc1ccc(CNCc2cc(C)ccc2OC)cc1 512553098 YTWKBFFQNJHOIB-UHFFFAOYSA-N 297.398 3.858 30 20 CHED C=C(CNC(=O)N(C)Cc1cccs1)c1ccccc1 512679094 WARTZOAHIHIBES-UHFFFAOYSA-N 286.400 3.603 30 20 CHED C=CCCc1noc(-c2ccc3c(c2)CCCCC3=O)n1 515422898 BOZJVZHSKQQUOF-UHFFFAOYSA-N 282.343 3.764 30 20 CHED C=C[C@@](C)(O)CC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 517350012 XCNBZKNYZHLOOS-SJLPKXTDSA-N 289.419 3.526 30 20 CHED CCC[C@H](C#N)NC(=O)CCSc1ccc(Cl)cc1 523376383 NWOIOJLUPMTPMF-GFCCVEGCSA-N 296.823 3.631 30 20 CHED C=CC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 523606618 IEYKKNRNKWYVHE-UHFFFAOYSA-N 286.350 3.879 30 20 CHED N#Cc1cnc(NCCc2ccc(Cl)s2)c(Cl)c1 524165602 RACPPTYTQUMYPE-UHFFFAOYSA-N 298.198 3.976 30 20 CHED C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC12CC2 527865832 GXQWVQQIRLHUTN-WFASDCNBSA-N 293.332 3.835 30 20 CHED C[C@@H]1CC[C@@H](c2noc(C[C@@H](CC#N)c3ccccc3)n2)O1 528242209 PZWCZNIIXZFONC-YUELXQCFSA-N 297.358 3.550 30 20 CHED CCCN(Cc1ccc(OC)cc1)[C@H]1CC[C@@H](C#N)C1 528740264 SMHJGBFEWSKYPQ-CVEARBPZSA-N 272.392 3.599 30 20 CHED C[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H](C)S1 530939068 NTFRJJKTUUCPNM-BETUJISGSA-N 279.836 3.517 30 20 CHED CC(C)(C)C1=CCN(c2ccc(Cl)c(C#N)n2)CC1 535331055 ALYLJBBHEZPLKJ-UHFFFAOYSA-N 275.783 3.789 30 20 CHED C=C(CC)CN1CCC(Nc2cccc(OC)c2)CC1 538005080 SRHSZSYGWOWYSV-UHFFFAOYSA-N 274.408 3.538 30 20 CHED C=CCCOCCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 539366010 FPDCXKQWZDDUFR-OWCLPIDISA-N 281.440 3.690 30 20 CHED Cc1ccnc(NCc2cc3ccccc3o2)c1C#N 541279129 ZWFARUZQAPWWSH-UHFFFAOYSA-N 263.300 3.620 30 20 CHED C[C@H](CCC(C)(C)C)C(=O)N(C)Cc1cccc(C#N)c1 541585184 SAXMZRLKVKQDKS-CQSZACIVSA-N 286.419 3.979 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 543942592 UBEVUQNNDQRLTQ-CAOSSQGBSA-N 278.440 3.951 30 20 CHED C=CCCCNC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C 544630553 MHILUYLAAACKKW-WBVHZDCISA-N 286.419 3.930 30 20 CHED C=CCCC[C@@H](C)NC(=O)N1CC[C@H](C)C(C)(C)C1 546846898 WUYMMRNJVYFJLS-UONOGXRCSA-N 266.429 3.809 30 20 CHED CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 547954553 ITOAETKQWLQWLE-IAQYHMDHSA-N 290.794 3.910 30 20 CHED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCCC(C)(C)C1 549676576 VMQOJELSRHBZTK-AWEZNQCLSA-N 290.455 3.994 30 20 CHED Cc1ccc([C@@]2(C)CCN(CCC(C)(C)C#N)C2)cc1 553892623 ZGXOJDZJZQSCPA-SFHVURJKSA-N 270.420 3.898 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C)c(OC)c2)n1 556359421 CMUDTBNOHQPUPY-UHFFFAOYSA-N 272.348 3.907 30 20 CHED COc1nc(C)cc(C)c1CSc1cccc(C#N)c1 557771385 YNTDNEUCVHTUTF-UHFFFAOYSA-N 284.384 3.871 30 20 CHED CCc1noc(C)c1CSc1cccc(F)c1C#N 559630857 RWFOWQZWBHVEKD-UHFFFAOYSA-N 276.336 3.849 30 20 CHED C=C(CC)CN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC 560539442 BQCNDFHERPIXKB-KURKYZTESA-N 273.420 3.894 30 20 CHED Cc1cc(CSC[C@H]2CCCCO2)ccc1C#N 562497762 UWNXLPDJQSGBGJ-OAHLLOKOSA-N 261.390 3.669 30 20 CHED C=CCCCCN1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1 562532480 KJHAIXDBKRJOLK-ULQDDVLXSA-N 264.457 3.680 30 20 CHED N#Cc1cc(N2CCCC3(CCCCC3)CC2)ccn1 563642665 PCCYSBFFBXVTNO-UHFFFAOYSA-N 269.392 3.894 30 20 CHED C=CCC(F)(F)c1nc(-c2ccc(C)c(F)c2)no1 563731576 NBGVHZMXUYESRS-UHFFFAOYSA-N 268.238 3.852 30 20 CHED CC[C@H](CC#N)N[C@@H](C)c1nc2ccccc2n1C(F)F 565843035 WUPFOZMSVZMVBP-WDEREUQCSA-N 292.333 3.774 30 20 CHED CC[C@](C)(C#N)C(=O)NC1CCC(C)(c2ccccc2)CC1 569994908 WOMQRMRFAQEQLR-CUYAVPTFSA-N 298.430 3.943 30 20 CHED N#CCCC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 571405447 YGILMSLRXJICJV-QPJJXVBHSA-N 299.374 3.624 30 20 CHED CO[C@H](CSc1cccc(F)c1C#N)CC(C)C 572663460 PRBYSQRZGCVZTO-NSHDSACASA-N 267.369 3.851 30 20 CHED CCCN(Cc1ccc(C)cc1)Cc1cc(C#N)n(C)c1 572907664 AUVAGDAEEFYAPN-UHFFFAOYSA-N 281.403 3.617 30 20 CHED C=CCCCCNC1(c2ccc(F)cc2)CCOCC1 574999317 ZBJPRVOBMUJZKD-UHFFFAOYSA-N 277.383 3.777 30 20 CHED C[C@H]1CCCC[C@@H]1CC(=O)N1CCc2c(C#N)cccc21 578876826 SCZREDWTTQCUET-UONOGXRCSA-N 282.387 3.664 30 20 CHED C[C@@H]1C[C@@]1(C#N)c1nc(-c2cc3cc(Cl)ccc3[nH]2)no1 579077603 IUSZLMNCANQYOL-GLEZIHRCSA-N 298.733 3.672 30 20 CHED N#Cc1ccc(/C=C\c2nc(CC3CCCC3)no2)cc1 581026820 YJZVOIOOZRMULD-KTKRTIGZSA-N 279.343 3.844 30 20 CHED N#CCCC1CCN(CCOc2cccc(Cl)c2)CC1 583021558 HGPAABFLXRIYIF-UHFFFAOYSA-N 292.810 3.735 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](C)[C@@H]1CC 583173095 VJKLCVNULRQCRY-HOCLYGCPSA-N 296.418 3.756 30 20 CHED CCc1ccc(CCNC2(c3cccc(C#N)c3)CC2)cc1 584120303 NTIMLWZGQFZOAA-UHFFFAOYSA-N 290.410 3.942 30 20 CHED C[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 584707175 DOAPKQXMSCDEPE-HNONPPJISA-N 296.414 3.747 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)/C=C\c1ccc(Cl)cc1 588435093 GPCAKFZPIOLPAX-OYVUYXNMSA-N 277.751 3.835 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)CCCCCC#N 588631321 XCNOPMJTRNHKEA-CQSZACIVSA-N 270.376 3.606 30 20 CHED Cc1csc(NC(=O)[C@H](C)C2CCCC2)c1C#N 589034507 JACCGRGXWIKZBJ-SNVBAGLBSA-N 262.378 3.693 30 20 CHED COC1([C@H](C)NCc2ccc(C#N)cc2F)CCCCC1 591531579 JODHEEBMJBDMFA-ZDUSSCGKSA-N 290.382 3.525 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 593438247 YHIJOHSSOGHCEE-DJIMGWMZSA-N 284.403 3.721 30 20 CHED CC(C)N(C(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CCCC1 593957973 QHRNUEHZLNAKMQ-OAHLLOKOSA-N 298.430 3.916 30 20 CHED N#Cc1nc(N2CCS[C@H]3CCCC[C@H]32)sc1Cl 596154384 ISJGREAHKVEPEQ-ZJUUUORDSA-N 299.852 3.533 30 20 CHED CCC(O)(CC)C(C)(C)CNc1ncc(C#N)cc1Cl 596361761 CJHOZMIINYQQAI-UHFFFAOYSA-N 295.814 3.596 30 20 CHED N#CC1(CSCc2cnc3ccccc3n2)CCC1 596368524 JUCQYLWKWZHQAO-UHFFFAOYSA-N 269.373 3.557 30 20 CHED CC(C)c1nc(CN2CCC[C@@H](CC#N)C2)c2ccccn12 597177495 NGTANOUTHWEHFU-HNNXBMFYSA-N 296.418 3.583 30 20 CHED Cc1c(Cl)cnc(N2C[C@@H](C)C(F)(F)[C@H](C)C2)c1C#N 599118819 PZFAVKVKLXWDGV-RKDXNWHRSA-N 299.752 3.643 30 20 CHED Cc1nc(S[C@@H](C#N)C2CC2)n(CC(C)C)c1C 601071831 ASVOGUGZKXULEJ-ZDUSSCGKSA-N 263.410 3.550 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@H]1CCCC[C@H]1C 602393185 RNAXQEXZZBKANL-DOMZBBRYSA-N 288.366 3.817 30 20 CHED CC[C@H](NC[C@H](C)CCC#N)c1ccc(OC)cc1 602504244 OEJKCHYABJRBRL-CJNGLKHVSA-N 260.381 3.676 30 20 CHED COc1ccc(CC[C@H](C)NC[C@H](C)CCC#N)cc1 602523646 DSSXYCNOVYRNFR-CABCVRRESA-N 274.408 3.546 30 20 CHED CC1CCN(C2CCC(NC[C@H](C)CCC#N)CC2)CC1 602581705 KJLMDXKQENLWJU-WWDZGPRUSA-N 291.483 3.559 30 20 CHED N#CCCCNC(=O)Nc1nc(C2CCCCC2)cs1 603066043 NJIRBEBSMKQOEZ-UHFFFAOYSA-N 292.408 3.616 30 20 CHED CCC[C@H](C)n1cc(CC2(C#N)CCCCC2)nn1 603199573 IUEDHMWMGIAOBP-ZDUSSCGKSA-N 260.385 3.656 30 20 CHED CC[C@@H](NC(=O)CCc1ccc(C#N)cc1)C1CCCCC1 604564146 YLDJCCPKZAEBDU-GOSISDBHSA-N 298.430 3.966 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(CCCc2ccccc2)cc1 609920954 UOTUSUMXUWAZOJ-OAHLLOKOSA-N 292.382 3.960 30 20 CHED N#Cc1cccnc1N1CCC(OCC2CCCCC2)CC1 610281267 SCHFTJUHESFOMA-UHFFFAOYSA-N 299.418 3.519 30 20 CHED CC(C)CN(C(=O)[C@@H]1CC12CCC2)c1ccc(C#N)cc1 610737852 OBKSWFBZNRLHOW-INIZCTEOSA-N 282.387 3.737 30 20 CHED Cc1c(Cl)cnc(N[C@@H]2CCC(F)(F)C2)c1C#N 612086307 WCYIKEYARGZLGW-MRVPVSSYSA-N 271.698 3.515 30 20 CHED CC(C)(C)CCCCNC(=O)N1CCC[C@@](C)(C#N)C1 612121876 RNDZKQOZNGODAL-INIZCTEOSA-N 279.428 3.538 30 20 CHED C=CCC[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 614529144 SUPZTXGYPOWVCQ-HKUYNNGSSA-N 296.414 3.889 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 617782081 YFBYSBLNHHKFQH-LLVKDONJSA-N 298.308 3.529 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(OC(C)C)cc2)C1 617788407 IGVRYOXMJAXHJB-HNNXBMFYSA-N 287.403 3.902 30 20 CHED Cc1ccc(C#N)cc1NCc1cc2ccccc2[nH]1 619074161 WLDATNANJJXBSW-UHFFFAOYSA-N 261.328 3.960 30 20 CHED CC(=O)c1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 630055835 QCAQEBUZRNWNSF-GFCCVEGCSA-N 264.328 3.934 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCCCN1CCCCCC1=O 657822269 YOEIAQMRMWQPML-IRXDYDNUSA-N 292.467 3.504 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2C)C1 666245168 PBHSNBDWMXTSNP-ZDUSSCGKSA-N 276.355 3.954 30 20 CHED C=CCC1(N[C@@H](C)CCc2ccc(F)cc2)CCOCC1 668550550 BVEKDWNXQUGOFJ-HNNXBMFYSA-N 291.410 3.862 30 20 CHED C=C[C@@H](C)NC(=O)CSc1ccc2c3c(cccc13)CC2 675041690 VFJPMGGRXBNIFT-GFCCVEGCSA-N 297.423 3.721 30 20 CHED C=CCN(Cc1cn(C)nc1CC)CC1CCCCC1 678830423 VMEGIQXGLZWCKX-UHFFFAOYSA-N 275.440 3.551 30 20 CHED CC(C)(O)CCNc1cccc(C#Cc2cccs2)c1 681654102 MCRORMOXDKFMAI-UHFFFAOYSA-N 285.412 3.721 30 20 CHED C=CC[C@@H]1N(C(=O)N[C@H](C)CCC)CCCC1(C)C 683529613 HDZOTENPWHVLTI-KGLIPLIRSA-N 266.429 3.951 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC(C)(C)c2ccccc21 684929269 GWQITAMHGNVJPQ-CYBMUJFWSA-N 272.392 3.849 30 20 CHED C#CCOc1ccccc1CN[C@H]1CCC12CCCC2 693855384 STPKSBRWRQPCIE-KRWDZBQOSA-N 269.388 3.511 30 20 CHED CCCCCCCNCc1cnc(C(C)(C)C)nc1 703778982 XABNJDFHQAOZRX-UHFFFAOYSA-N 263.429 3.834 30 20 CHED C[C@H](CC#N)N(C)C(=O)c1sccc1-c1ccccc1 706390443 UVNJLUHSEZVCSX-GFCCVEGCSA-N 284.384 3.789 30 20 CHED CC(C)COC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728109455 PWQJCYJFUWWICE-UHFFFAOYSA-N 299.326 3.543 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)NCCCCC#N 728958155 UOAMJGLPSFDCHR-GJZGRUSLSA-N 293.455 3.832 30 20 CHED O=C1/C(=C/c2cccc(F)c2F)Oc2ccc(F)cc21 730729163 FNXLZIXFQJBJRX-MLPAPPSSSA-N 276.213 3.720 30 20 CHED C#CCOc1ccc(NC(=O)c2ccc(SC)cc2)cc1 730978807 CJRCAXSDVQGZRJ-UHFFFAOYSA-N 297.379 3.673 30 20 CHED CC(CCc1cccc(C)c1)=NNc1ccc(F)cn1 731319656 XEXFSTOPQRLGDW-UHFFFAOYSA-N 271.339 3.950 30 20 CHED CC/C=C(\C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 731644795 BULDXTKJVSTKEI-KADSFNECSA-N 296.292 3.743 30 20 CHED CCCCCCCCCN(C)C(=O)c1cncc(O)c1 732276449 KLFWEFWODBIQEH-UHFFFAOYSA-N 278.396 3.610 30 20 CHED CCC(CC)NN=C(C)c1cnn(-c2ccccc2)c1C 734365007 PEMBBIFMYGIEES-UHFFFAOYSA-N 284.407 3.683 30 20 CHED N#Cc1c(Cl)nsc1N[C@@H]1CSc2ccccc21 735489614 IGWPRKKXALYWBB-SECBINFHSA-N 293.804 3.927 30 20 CHED C=CCCCOC(=O)c1[nH]c(-c2ccccc2)nc1C 735529653 HJWQJJNULJJJQM-UHFFFAOYSA-N 270.332 3.508 30 20 CHED C[C@@H]1CC[C@@H](OC(=O)CCc2ccc(C#N)cc2)[C@H](C)C1 736032916 JDBGBIMTVNKOHU-CKEIUWERSA-N 285.387 3.859 30 20 CHED C#CCOc1cc(F)ccc1NCc1cc(C)c(C)cc1O 742376551 XJKRLEQOKGZILF-UHFFFAOYSA-N 299.345 3.772 30 20 CHED CCCCCC[C@@H](C)NN=Cc1ccccc1[N+](=O)[O-] 743450356 JIHCGJVOLMZOQC-CYBMUJFWSA-N 277.368 3.877 30 20 CHED C#CCOC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 744040229 JVVRTYMJFQZLNN-GOSISDBHSA-N 278.351 3.579 30 20 CHED C[C@H](OC(=O)[C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 744102751 YHWVKYGLFXPWFS-DVOMOZLQSA-N 271.360 3.989 30 20 CHED Cc1ccccc1C=NOCc1ccc([N+](=O)[O-])cc1F 747825699 BIHPAOVYPBNJBL-UHFFFAOYSA-N 288.278 3.593 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 748003270 DQQPXMXHTDHAGP-UHFFFAOYSA-N 294.354 3.814 30 20 CHED C[C@H](OC(=O)C1(C)CCCC1)c1ccc(C#N)cc1 748677068 HZZOXPXWLKEDQK-LBPRGKRZSA-N 257.333 3.743 30 20 CHED CN1CCc2cc(/C=C\C(=O)c3cc(F)ccc3F)ccc21 751522416 KGYQHUACERHHOI-CLTKARDFSA-N 299.320 3.853 30 20 CHED C(=NNc1nncc2ccccc12)[C@H]1CCc2ccccc21 755491325 QRXYDVKUBHQLQW-OAHLLOKOSA-N 288.354 3.758 30 20 CHED CC(=NNc1cccnn1)c1ccc(-c2ccccc2)o1 755892280 RWYPKHDHLQSFQP-UHFFFAOYSA-N 278.315 3.573 30 20 CHED C=C(Cl)CNC(=O)c1cncc(-c2ccc(C)cc2)c1 758156033 NSOMXZHEOKSEAC-UHFFFAOYSA-N 286.762 3.539 30 20 CHED Cc1cc(/C=C2\Cc3ccccc3C2=O)cnc1Cl 760264244 MJYBDIFIBLBARD-NTUHNPAUSA-N 269.731 3.866 30 20 CHED CCC1(CNC(=O)/C=C\c2ccccc2C#N)CCCC1 760719375 OCYRGXOIBPGPEA-KTKRTIGZSA-N 282.387 3.658 30 20 CHED C#CC[C@H](NC(=O)N(CC)CCC1CC1)c1ccccc1 760997786 UEVFAHMMRRLUFS-KRWDZBQOSA-N 284.403 3.583 30 20 CHED O=C(/C=C\c1ccc(Cl)nc1Cl)c1cccc(O)c1 761476757 KCRQKXNDUGBHRO-XQRVVYSFSA-N 294.137 3.990 30 20 CHED CC#CCNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 762704219 JIYYUMUZKOYODN-QINSGFPZSA-N 299.370 3.567 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](CC)c2ccc(F)cc2)c1 763466972 PQTQBJQFJQOVNL-GOSISDBHSA-N 295.357 3.964 30 20 CHED CC1(C)CCC(C=NNc2ccc(Cl)nn2)CC1 764658228 OBMGHPXSSIOISO-UHFFFAOYSA-N 266.776 3.744 30 20 CHED C[C@@H]1CCc2c(F)cccc2C1=NOCC(F)(F)F 764847479 RKMHTXHTVIHIHQ-MRVPVSSYSA-N 275.245 3.691 30 20 CHED C=CCCCC(=O)O[C@H]1CCOc2cc(F)ccc21 766303412 XTDYONSSBVVGLN-ZDUSSCGKSA-N 264.296 3.549 30 20 CHED CC(C)(C)CCOC(=O)C(C)(C)Oc1ccc(C#N)cc1 766384094 YVABFLLCYACQBH-UHFFFAOYSA-N 289.375 3.695 30 20 CHED C#CCC(C)(C)C(=O)NC[C@@H](CCC)CCCC 767091698 LJXGLEHTGMOKRV-AWEZNQCLSA-N 251.414 3.759 30 20 CHED C#C[C@@H](C)N(C)C(=O)C(C)(C)c1ccc2ccccc2c1 767254721 UFCSQOVWFAHWAJ-CQSZACIVSA-N 279.383 3.598 30 20 CHED CC(C)N(Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccco1 768250586 WBDJHBMBNLLZPT-HNNXBMFYSA-N 298.386 3.981 30 20 CHED COc1cc([N+](=O)[O-])ccc1NN=C[C@H]1CCC[C@@H](C)C1 768366232 ZZEKNGMHQKQSGA-NEPJUHHUSA-N 291.351 3.827 30 20 CHED Cc1cccc(F)c1NN=Cc1c(C)nc2sccn12 769841991 XQDONCNUMURHHT-UHFFFAOYSA-N 288.351 3.598 30 20 CHED Clc1ccc2c(NN=C3CCCOCC3)ccnc2c1 770599428 RJXOAYJMBVHBII-UHFFFAOYSA-N 289.766 3.857 30 20 CHED C[C@@H]1CCN(C(=O)/C=C/c2ccccc2C#N)CC12CCC2 771339013 LVKZDNPUGGYFHM-MVGZEHJDSA-N 294.398 3.610 30 20 CHED N#Cc1ccc2nc(NC[C@H]3CC3(Cl)Cl)ccc2c1 771639379 HVQGWKDNIUHXQJ-LLVKDONJSA-N 292.169 3.712 30 20 CHED C=C(CC)COC(=O)c1c(COC)nc2ccccc2c1C 773456112 XCRJSSVYYCSQFU-UHFFFAOYSA-N 299.370 3.813 30 20 CHED COc1cc(Cl)ccc1N[C@H]1CCC[C@@H](C#N)C1 774354473 AVPZGWIDCNBITD-PWSUYJOCSA-N 264.756 3.843 30 20 CHED c1ccc([C@@H]2CCCCC2=NOC2CCOCC2)cc1 774456145 AZVPFCPYUKSGKD-INIZCTEOSA-N 273.376 3.896 30 20 CHED C#C[C@@H](C)N(C)Cc1cnc(-c2ccc(C)cc2)s1 775184045 SZVRYULDQMUWQV-CYBMUJFWSA-N 270.401 3.572 30 20 CHED C#CCCCNC(C)(c1ccccc1)c1ccccc1 775362061 FCXJPKHXBAPGAH-UHFFFAOYSA-N 263.384 3.953 30 20 CHED CC(=O)c1cccc(C(=O)O[C@H](C#N)C2CCCCC2)c1 776394933 HDUZEHOTYWPHEU-MRXNPFEDSA-N 285.343 3.518 30 20 CHED C=CCSc1ccccc1C(=O)O[C@@H](C)CCOC 777343832 HZUOAVBULYUFCR-LBPRGKRZSA-N 280.389 3.547 30 20 CHED COC[C@H](C)NN=C1C[C@@H](C)C[C@H](c2ccccc2)C1 777901465 LTSWRBZBPWTOBX-DZKIICNBSA-N 274.408 3.571 30 20 CHED O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1cccs1 777912665 WPTDAKDKSBAAJA-XQRVVYSFSA-N 277.276 3.692 30 20 CHED COC(=O)c1cccc(NN=C/C=C\c2ccccc2)c1 779825859 ARTUOKQIPBIYOG-WPFQCSIDSA-N 280.327 3.584 30 20 CHED C#CCCCCCC(=O)N1CCCc2c(F)ccc(F)c21 779981343 BYSSOEURXQVKQG-UHFFFAOYSA-N 291.341 3.828 30 20 CHED CC/C(C)=C(/C)C(=O)Nc1nc2cc(C#N)ccc2n1CC 780019032 KKZNZUUVUKXIDG-QXMHVHEDSA-N 296.374 3.613 30 20 CHED CCCC(Cc1ccccc1)=NN[C@H]1CCOC(C)(C)C1 780253526 WTKXESXCVBDVNA-KRWDZBQOSA-N 288.435 3.932 30 20 CHED CCN(CC)c1ccc(CN(C)CCCCC#N)cc1 781622987 NXZMQBIPYCTFCB-UHFFFAOYSA-N 273.424 3.658 30 20 CHED CC[C@@H](C)c1ccc(C(=O)N2CCC(CC#N)CC2)cc1 782054737 LLZCCCBOKWBIKD-CQSZACIVSA-N 284.403 3.966 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)NCCCC 782200065 OFGKZTGKZJMGJJ-UHFFFAOYSA-N 276.380 3.506 30 20 CHED CC(=NNc1cccc(Cl)c1F)[C@@]1(C)CCCO1 782215882 XESJBKJHCSJPQZ-CYBMUJFWSA-N 270.735 3.836 30 20 CHED CC(C)(C)CCNN=Cc1ccc2ncccc2c1 782906756 FGOYERKBOKUMDJ-UHFFFAOYSA-N 255.365 3.595 30 20 CHED CCC(CC)NN=C1CCC[C@H](C(F)(F)F)C1 783515874 AXTQAGAYYKXCHU-VIFPVBQESA-N 250.308 3.873 30 20 CHED CCCCCCCCOC(=O)[C@H]1CC12CCOCC2 786442411 WINWGUIOECANFA-CQSZACIVSA-N 268.397 3.707 30 20 CHED C#CCC1(C(=O)Nc2cc(C)cnc2Cl)CCCCC1 788465460 WGHPPCWGTMXMEK-UHFFFAOYSA-N 290.794 3.956 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1cc(C)on1 790294820 XSFRRZIRSBUOPH-UHFFFAOYSA-N 267.691 3.612 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NN[C@H](C)C(C)(C)C)cc1 793112471 SPRSLLBIUMYOQZ-CYBMUJFWSA-N 284.407 3.743 30 20 CHED C[C@H]1CC(=NNCc2c(Cl)cccc2Cl)CCO1 793117302 KVVRUGCTYUPLTC-VIFPVBQESA-N 287.190 3.638 30 20 CHED C[C@H](NCc1ccc(C#N)cn1)[C@@H](C)c1ccc(Cl)cc1 793152902 LXSOQZCNXRRXAP-OLZOCXBDSA-N 299.805 3.888 30 20 CHED CC#CC(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 794402946 CASLBNWDRUYHCH-MRXNPFEDSA-N 277.367 3.800 30 20 CHED CCSc1ccc(C(C)=NOCCSC)cc1 794573380 ZEXKJIRIJGPSPK-UHFFFAOYSA-N 269.435 3.902 30 20 CHED FCC[C@@H]1CCCC1=NNc1ccc(Cl)nc1 794913755 ANQMARVOUPVEAE-VIFPVBQESA-N 255.724 3.663 30 20 CHED O=C(/C=C/c1c(F)ccc(O)c1F)c1cccc(F)c1 794925814 DLEUNIGMHNBGQM-GQCTYLIASA-N 278.229 3.706 30 20 CHED C[C@H]1CC(=NNc2cncnc2)C[C@@H](c2ccccc2)C1 794976804 QLVTYWXLWKBBFC-HIFRSBDPSA-N 280.375 3.848 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CCCOC(C)(C)C 795184362 UIJHOYSJUOJWIL-UHFFFAOYSA-N 289.419 3.797 30 20 CHED CC(C)(C#N)CCCCOC(=O)C(C)(C)C1CCOCC1 796439659 VRHMVHUAAKOTPZ-UHFFFAOYSA-N 295.423 3.702 30 20 CHED C=CCC(C)(C)C(=O)OCCCOc1ccc(OC)cc1 796473671 MNVBKIVIAAMFSR-UHFFFAOYSA-N 292.375 3.610 30 20 CHED C#Cc1cccc(N(C(=O)c2ccoc2CC)C(C)C)c1 797446682 WCYCJCOTBLOYNG-UHFFFAOYSA-N 281.355 3.879 30 20 CHED CCN(C(=O)c1ccc(C)c(C#N)c1)C1CCCCC1 799301863 XMUAZICUEZOVBH-UHFFFAOYSA-N 270.376 3.662 30 20 CHED CC(C)Oc1c(F)cc(N[C@H]2CC[C@@H](C#N)C2)cc1F 799723239 BAXWFKFXEQTWAO-MNOVXSKESA-N 280.318 3.856 30 20 CHED CC(C)(C)CN(CCC#N)CCSC(C)(C)C 801922981 VOGUJKARCJDBJK-UHFFFAOYSA-N 256.459 3.780 30 20 CHED Cc1cc(COC(=O)c2nc(C(C)C)oc2C)ccc1C#N 803915406 XVYVDKGGZOFJHB-UHFFFAOYSA-N 298.342 3.644 30 20 CHED Cc1ccc(F)c(CN(C)c2nc(Cl)c(C#N)s2)c1 804656781 ROQIMYGSDXZMSK-UHFFFAOYSA-N 295.770 3.752 30 20 CHED C=CCCCC(=O)OCCOc1ccc(SC)cc1 805483653 YHGBLAVDSOZYTF-UHFFFAOYSA-N 280.389 3.687 30 20 CHED CCOc1ccc(O)c(/C=N\CCCC(C)(C)COC)c1 806551041 PUWANXSBQBZCQZ-PDGQHHTCSA-N 293.407 3.663 30 20 CHED Cc1ccc2c(c1)S/C(=C/c1ccc(F)nc1)C2=O 806558243 WTDWBPHSIBWBLN-NTUHNPAUSA-N 271.316 3.859 30 20 CHED Cc1cccc2cc(C(=O)OC(C)(C)C#N)sc12 808993734 TXWYBODHCHIJKE-UHFFFAOYSA-N 259.330 3.669 30 20 CHED C#Cc1ccc(CNC[C@@H](C)c2cccc(F)c2)cc1 809612148 WBESPNGMTVYZOX-CQSZACIVSA-N 267.347 3.700 30 20 CHED CON(CCC(C)(C)C#N)C[C@H]1CCC[C@@H](C)C1 810140486 VNVQFWZVXDLUCC-KGLIPLIRSA-N 252.402 3.616 30 20 CHED C=CCCCCC[C@H](C)NCCc1nnc(C)s1 810242979 JSKMEZOJFYFUOJ-LBPRGKRZSA-N 267.442 3.504 30 20 CHED COc1cccc(O)c1/C=N\[C@H](C)CCc1ccccc1 812389411 IARHGQUUXVEKAW-RMENWYJGSA-N 283.371 3.841 30 20 CHED C=CCOCCOC(=O)c1sc2cccc(F)c2c1C 813895079 LKXLZUZWVWRFDF-UHFFFAOYSA-N 294.347 3.708 30 20 CHED Cc1cccc2c1[C@H](OC(=O)c1cc(C#N)cs1)CCO2 814033616 XUFWNKFHRPBULR-CYBMUJFWSA-N 299.351 3.609 30 20 CHED Oc1cccc(/C=N/[C@H]2C[C@H](c3ccc(F)cc3)C2)c1O 814182999 BOBWFNDOQMCAJK-YUOFGGFNSA-N 285.318 3.602 30 20 CHED CCc1cnc(C=NNc2c(C)cccc2F)s1 814904925 FPBFSUARFDIHIY-UHFFFAOYSA-N 263.341 3.599 30 20 CHED CN(C)c1ccccc1CNN=C1CC(c2ccccc2)C1 814925870 NISXKNLTEYCELB-UHFFFAOYSA-N 293.414 3.776 30 20 CHED CC(C)=C[C@H]1[C@@H](C(=O)N(CCC#N)CC(C)C)C1(C)C 818032183 SVOUUULMDAJKMJ-GJZGRUSLSA-N 276.424 3.623 30 20 CHED CC(C)C#CC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 821709215 LFOFVMVNFYUYJN-UHFFFAOYSA-N 284.359 3.723 30 20 CHED Cc1ccc(O)c(CN(C)[C@H](C)c2cccc(C#N)c2)c1 822526521 WBAFTVUQCHSRIZ-CQSZACIVSA-N 280.371 3.765 30 20 CHED C=CC(C)(C)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 822629658 PTYLHFPQYHCRHC-UHFFFAOYSA-N 294.345 3.716 30 20 CHED C=CCN(C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl)C(C)C 822820883 MVEOWCFJLBAAPE-DZGCQCFKSA-N 292.810 3.802 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cnn(C)c2Cl)cc1C 834407608 BLAFZINAWJYTKL-WAYWQWQTSA-N 288.778 3.895 30 20 CHED C#CCOc1ccc(CN[C@@H](C)c2ccc(C)cc2O)cc1 834890432 JTXQJUNVUWUOTJ-HNNXBMFYSA-N 295.382 3.563 30 20 CHED CCC(CSc1ccccc1[N+](=O)[O-])=NOC(C)C 835003695 YMUMRTWBBWCIQR-UHFFFAOYSA-N 282.365 3.878 30 20 CHED C=CCC1(C(=O)OC[C@@H]2CC2(Cl)Cl)CCCC1 835206889 VEEQFWRAVYDLQM-JTQLQIEISA-N 277.191 3.860 30 20 CHED Cc1cccc(Cl)c1COC(=O)C1(C#N)CC(C)C1 837580817 KLNTXDFHDWCPDJ-UHFFFAOYSA-N 277.751 3.632 30 20 CHED C=COc1ccc(NC(=O)C[C@H](OCC)C(=C)C)cc1 837762701 GCROSDZTBJVECY-HNNXBMFYSA-N 275.348 3.519 30 20 CHED C=CCN(C(=O)Cc1cccc(C2CC2)c1)C(C)C 840319175 CTWSTUXLARZPMZ-UHFFFAOYSA-N 257.377 3.530 30 20 CHED C[C@H](C(=O)OCCC1(C#N)CCCCC1)C(C)(F)F 840578156 SAGNQRHFSAVTFX-LLVKDONJSA-N 273.323 3.685 30 20 CHED C=CCN(Cc1cccs1)C(=S)NC1(C)CCC1 840703194 GYKODPBRMIHKPN-UHFFFAOYSA-N 280.462 3.553 30 20 CHED CCC(=NNc1cncc(Br)c1)[C@@H]1C[C@H]1C 841632333 MPKMNDHQWAXNBN-LDYMZIIASA-N 282.185 3.678 30 20 CHED COC(=O)Cc1ccc(NN=C2CCC[C@H]2C(C)C)cc1 844606378 WEGOZANCNDDOLP-HNNXBMFYSA-N 288.391 3.626 30 20 CHED C=C[C@H](C)ON=C1CCC[C@@H](c2ncccc2C)C1 844625637 NWHDNMRKECDUSE-UONOGXRCSA-N 258.365 3.995 30 20 CHED CC[C@H](C#N)OC(=O)CCc1c(Cl)cccc1Cl 847657342 RHZUVJBKYRORED-SECBINFHSA-N 286.158 3.771 30 20 CHED C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1ncccc1F 851004513 NWTYRCUSVPBLQR-GFCCVEGCSA-N 290.338 3.689 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)Cc1ccc(Cl)s1 851205252 YBHQQTMSKXCLLA-SECBINFHSA-N 285.796 3.816 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1ccsc1 851210574 WRAWDBSEYNCGEK-WDEREUQCSA-N 265.378 3.723 30 20 CHED C#CCCCCCC(=O)NCc1ccc2occc2c1 855386287 VCXRDAKVGNAXRR-UHFFFAOYSA-N 269.344 3.633 30 20 CHED C/C(=C/C(=O)N(CCC#N)CCC(C)C)c1cccs1 857149241 VJNUUHKXDKUVNQ-OWBHPGMISA-N 290.432 3.940 30 20 CHED C#CCCOC(=O)N[C@H]1CCSc2ccc(Cl)cc21 858885052 FLYPVMIELBNRGT-LBPRGKRZSA-N 295.791 3.626 30 20 CHED C=C[C@@H](OC(=O)[C@@H](CCC)OCC)c1ccccc1 860883595 VJQSPNWWSUOYQJ-HUUCEWRRSA-N 262.349 3.662 30 20 CHED CCC(CC)C(=O)N(C)c1ccc(C#N)c(Cl)c1 876166559 YWYLQUPNVXLXIV-UHFFFAOYSA-N 264.756 3.611 30 20 CHED C=CC(C)(C)CC(=O)NCC(C)(C)c1cccs1 878851593 NYFAFUFDGGCMSF-UHFFFAOYSA-N 265.422 3.744 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cc2nc(C)no2)cc1 885612244 TZRZGDYMMZIXLX-QGZVFWFLSA-N 299.374 3.510 30 20 CHED C=CCC1(O)CCN(Cc2cc3ccccc3s2)CC1 886776423 FUFCUAWBHSBAOQ-UHFFFAOYSA-N 287.428 3.804 30 20 CHED C=CCC1(O)CCN([C@H]2CCc3cc(Cl)ccc32)CC1 886778793 UOWKXYZXPDAROE-INIZCTEOSA-N 291.822 3.730 30 20 CHED C=C1CCC(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)CC1 889941461 VXLJEOZHTLVTNS-YOEHRIQHSA-N 284.403 3.738 30 20 CHED C=C1CCC(C(=O)N(CCC#N)c2ccc(F)cc2)CC1 900630077 HCNRHINHLRBKNT-UHFFFAOYSA-N 286.350 3.819 30 20 CHED COc1cccc(NN=C2CCC[C@@H](SC)C2)c1 901160346 YERKZQZSYHXOJD-CQSZACIVSA-N 264.394 3.769 30 20 CHED CC[C@@H](NCCCOC(C)(C)C)c1cccc(C#N)c1 903049795 HGNHQHQMVGVFPP-MRXNPFEDSA-N 274.408 3.804 30 20 CHED C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccc(C#N)c(F)c1 903427147 FEIJTPKLKOHNLQ-XIKOKIGWSA-N 295.361 3.894 30 20 CHED C=C[C@@H](CCC(=O)O)NC/C=C\c1cc(C)c(C)cc1C 904014050 NAKWRDIWLXLXBW-TUYSUELWSA-N 287.403 3.634 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc3scnc3c2)C1 905936245 VAJHKXDEHYSPFJ-ZYHUDNBSSA-N 286.356 3.535 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(C(=O)O)c(C)cc1C 909517669 VCNWFWORUKWHRX-UHFFFAOYSA-N 275.348 3.542 30 20 CHED CC(CCc1ccccc1)=NNc1nc2ccccc2[nH]1 915915491 ONBVTRVYJCXFEL-UHFFFAOYSA-N 278.359 3.984 30 20 CHED CC(=NNc1ccccc1Cl)c1ccc2c(c1)CC(=O)N2 915935178 LITMYQYKVFQUNZ-UHFFFAOYSA-N 299.761 3.671 30 20 CHED CO[C@@H]1CCCCC1=NNc1ccc2ccccc2n1 915938447 AVFQVJRGNGBJTC-OAHLLOKOSA-N 269.348 3.592 30 20 CHED COc1cccc(O)c1/C=N/[C@H](C)Cc1ccccc1C 917557014 UDGLPXAPAKUHFY-ONDHQXCVSA-N 283.371 3.759 30 20 CHED Fc1cccc(NN=Cc2cnn(Cc3ccccc3)c2)c1 920384131 PKXPSXOYGQKSDQ-UHFFFAOYSA-N 294.333 3.517 30 20 CHED CCC[C@H](NC=C1C(=O)CC(CC)CC1=O)c1ccccc1 920979452 NKJNLEFJPXNBPT-JRZJBTRGSA-N 299.414 3.960 30 20 CHED CCN(CC)[C@H](CN[C@H](C)CC(C)(C)C#N)c1ccco1 924856775 YANMXMHUKLNJOY-HUUCEWRRSA-N 291.439 3.580 30 20 CHED C[C@H](CC(C)(C)C#N)NC1CCC(N2CCCCC2)CC1 925229153 MLEPTVRZCLWBOV-KLAILNCOSA-N 291.483 3.701 30 20 CHED C=C1CCC(CNC(=O)Nc2ccc(NC)cc2)CC1 926180904 MNUZLRIPUPCRLX-UHFFFAOYSA-N 273.380 3.596 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 930668794 IXIISOORXHEPEO-INMHGKMJSA-N 287.403 3.577 30 20 CHED C=C[C@H](CC)CC(=O)Nc1ccc(Br)nc1C 935230724 ZFXHNRATHUYLAJ-SNVBAGLBSA-N 297.196 3.693 30 20 CHED C=C[C@H](CC)CC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 935370093 FAFSZLFIZCVCJI-LZWOXQAQSA-N 272.392 3.593 30 20 CHED CC[C@](C)(C#N)NC(=O)c1ccc(-c2ccccc2)s1 1116391604 GFHKPKYODCPDIN-MRXNPFEDSA-N 284.384 3.837 30 20 CHED CN(C)c1ncccc1/C=C/C(=O)c1csc(Cl)c1 1117352087 YZOHAYIXCDKUGP-AATRIKPKSA-N 292.791 3.759 30 20 CHED C[C@@H]1CCN(C(=O)c2csc(C#N)c2)[C@@H]2CCCC[C@H]12 1117740347 IYMRQRSPRBNKQY-KCPJHIHWSA-N 288.416 3.661 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc(-c2ccccc2)s1 1122496179 DHCIJRQOSNOMTR-LLVKDONJSA-N 271.341 3.874 30 20 CHED CO[C@H]1CCC[C@H](Sc2nc(C)cc(C)c2C#N)C1 1188086224 YWRAWZAIIQURRI-STQMWFEESA-N 276.405 3.620 30 20 CHED CCc1occc1C(=O)N(c1ccccc1C#N)C1CCC1 1262101198 QIJBWRWYQMTIMN-UHFFFAOYSA-N 294.354 3.913 30 20 CHED C=C1CCC(C(=O)N(Cc2ccc(C)o2)C2CC2)CC1 1262107579 QOZAHEBBKLDQTD-UHFFFAOYSA-N 273.376 3.825 30 20 CHED Cc1cc(F)ccc1[C@@H]1CCCN1CC1(CC#N)CC1 1307840817 XMXQMIJMPGVMPE-INIZCTEOSA-N 272.367 3.965 30 20 CHED CC#CCOC(=O)/C=C/c1cc(Cl)cc(Cl)c1 1318817696 FGFIRKJRIYISQG-SNAWJCMRSA-N 269.127 3.573 30 20 CHED Cc1nn(Cc2ccccc2)c(C)c1C=NOC(C)(C)C 1319802768 LIGFKFRHMSJRMG-UHFFFAOYSA-N 285.391 3.697 30 20 CHED C=C[C@@H](COC)N[C@@H](C)c1oc2ccccc2c1CC 1320591903 LXBLEECUQWYXPE-STQMWFEESA-N 273.376 3.847 30 20 CHED C#Cc1ccc(CN[C@@H](C)c2cc(C)oc2C)cc1 1320933983 ZRTNRLGPUMBGQE-ZDUSSCGKSA-N 253.345 3.729 30 20 CHED C=C[C@H](COC)N[C@H](CCC)CCc1ccccc1 1321241045 MFSXXZNIGLIGDQ-IAGOWNOFSA-N 261.409 3.579 30 20 CHED N#CCc1cccc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)n1 1321329337 VAPJPMROQAZLHG-RYUDHWBXSA-N 297.324 3.928 30 20 CHED C=CCCN(C)C(=O)Nc1cc(C)nn1-c1ccc(C)cc1 1321700512 IEMMHNKGYJAMNG-UHFFFAOYSA-N 298.390 3.529 30 20 CHED C[C@@H]1c2ccccc2CCN1C(=O)CC#Cc1ccccc1 1323872169 JHMMAONOPWWYFZ-MRXNPFEDSA-N 289.378 3.574 30 20 CHED C[C@H]1CC(C)(C)CC1=NNc1ccc(C(C)(C)C)nn1 1324646302 RXNMDCSDGHIPSP-NSHDSACASA-N 274.412 3.998 30 20 CHED C=CCC(C)(C)c1nnc(-c2ccc(OC)cc2OC)o1 1333126828 AYYHUUDOTDFXAB-UHFFFAOYSA-N 288.347 3.608 30 20 CHED C=C[C@@H](CC)CC(=O)OCc1csc(C(F)(F)F)n1 1336298658 DADHQNPCVQLDHA-QMMMGPOBSA-N 293.310 3.807 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCC(=O)c1ccccc1 1336758270 CYTOLHGVIQYNEL-MRXNPFEDSA-N 285.387 3.607 30 20 CHED CC(C)CCC[C@@H](C)NC(=O)CC#Cc1ccccc1 1340357811 XSZQNAXVDOYMMM-MRXNPFEDSA-N 271.404 3.759 30 20 CHED C=CCn1c([C@H]2CC=CCC2)nnc1N(C)Cc1ccco1 1340554476 IVVDOUCATWGKRT-AWEZNQCLSA-N 298.390 3.517 30 20 CHED C[C@H](C#N)Oc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)cc1 1341524000 MWVFPGTVVUVESB-NXHRZFHOSA-N 298.430 3.990 30 20 CHED C=CCCOCCCCc1nnc(-c2ccccc2F)o1 1349922937 OGVUMBPKTFHUJK-UHFFFAOYSA-N 290.338 3.791 30 20 CHED CC1(C)CCC(CNC(=O)c2ccc(F)c(C#N)c2)CC1 1358351483 VXPHSOGQKGYJNP-UHFFFAOYSA-N 288.366 3.644 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)cc1C#N)c1ccco1 1437646236 KKJKOSOCHBIHOH-SECBINFHSA-N 274.707 3.547 30 20 CHED CCC[C@@H](NC(=O)c1cc(C#N)ccc1C)C1CCC1 1451244081 TUSWENPHDLCYFD-MRXNPFEDSA-N 270.376 3.565 30 20 CHED CCC(C)(C)c1ccc(CN=c2cc[nH]cc2C#N)cc1 1458280573 YJKSKTGBHNLKJW-UHFFFAOYSA-N 279.387 3.675 30 20 CHED CC[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@H]1C 1459986779 PCYFXABSKNRDEQ-QWHCGFSZSA-N 292.810 3.863 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1CC[C@@H](C2CCCCC2)C1 1461399421 WDJDEMJUHFWWSD-QGZVFWFLSA-N 296.414 3.909 30 20 CHED CC(C)CN(CCC#N)C(=O)OCc1cccc(Cl)c1 1463028155 XIMTUQWAIYHRPJ-UHFFFAOYSA-N 294.782 3.848 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ccc(OC(C)C)cc2)c1 1528802739 RUGOELDTDZMSLG-UHFFFAOYSA-N 294.354 3.906 30 20 CHED COc1ccccc1[C@H](C)Sc1ccnc(C#N)c1 1559116379 WXZQDFUGNFLKAQ-NSHDSACASA-N 270.357 3.815 30 20 CHED C=CCCc1ccccc1NC(=O)C(CC)(CC)C(=O)O 1573328243 DNHZAIBXKZJBFU-UHFFFAOYSA-N 289.375 3.635 30 20 CHED C=CCCCCC[C@H](C)N[C@@H](c1cnn[nH]1)C(C)C 1575093544 MOHYTOZMVAOQNN-DZGCQCFKSA-N 264.417 3.616 30 20 CHED Cc1cc(NC(=O)[C@H](C)c2ccc(Cl)cc2)ncc1C#N 1586237414 QDLWWICJXDFPPT-LLVKDONJSA-N 299.761 3.657 30 20 CHED C#Cc1ccc(N[C@@H]2CCC[C@@H](CCCC(=O)O)C2)cc1 1602738758 MCESJLXCTHWUKU-DOTOQJQBSA-N 285.387 3.894 30 20 CHED Cc1cccc(C)c1C=NNc1cccc(F)c1C(=O)O 1607843745 IJCHORDUINVCML-UHFFFAOYSA-N 286.306 3.587 30 20 CHED C=C(Cl)CNC(=O)c1ccc(C(C)C)c(Cl)c1 1634027824 FNZNXSWBSPBJKK-UHFFFAOYSA-N 272.175 3.946 30 20 CHED CC(C)CC[C@H]1CCC[C@@H]1Nc1cccc(C#N)n1 1651482210 ASWDQZJHCKQZCK-HIFRSBDPSA-N 257.381 3.970 30 20 CHED C[C@H]1CC[C@@H](c2ccccc2)N(c2ccnc(C#N)c2)C1 1651835615 INCAQKOXTFBBHN-KSSFIOAISA-N 277.371 3.931 30 20 CHED CCOc1ccc(C#N)cc1NCC1Cc2ccccc2C1 1652159080 UCAVCBXVQVAKTI-UHFFFAOYSA-N 292.382 3.784 30 20 CHED Cc1cc(C#N)ccc1CN1CCc2cc(F)ccc21 1653429550 VNLPPDZWZXWNOT-UHFFFAOYSA-N 266.319 3.569 30 20 CHED CCCN(CCN1CCCCC1)[C@@H](C)c1cccc(C#N)c1 1654417704 POIRNPQXYNPFCL-KRWDZBQOSA-N 299.462 3.817 30 20 CHED CCC[C@@H](CC)NCc1cc(C#N)ccc1Br 1656395486 RWLCZUWZTBBMJI-CYBMUJFWSA-N 295.224 3.989 30 20 CHED O=C(O)c1ccc(C=NNc2c(F)cccc2Cl)cc1 1776055770 PSDAIRCLSOHBBK-UHFFFAOYSA-N 292.697 3.623 30 20 CHED O=C(O)c1ccc(NN=CC2CC3(CCC3)C2)cc1F 1776076750 FGLVEQXYLIRRDU-UHFFFAOYSA-N 276.311 3.502 30 20 CHED CC(=NNc1cccc(C(=O)O)c1C)c1ccc(C)s1 1776086434 URCJGCJPNVZKEU-UHFFFAOYSA-N 288.372 3.899 30 20 CHED N#Cc1ccc(/C=C/c2ccc3oc(C(=O)O)cc3c2)nc1 1777566491 PSVIXAXNTSKDSV-DAFODLJHSA-N 290.278 3.568 30 20 CHED Cc1ccccc1NCC(=O)Nc1ccc(C#N)c(Cl)c1 21884665 JWWKTVQGDICSBL-UHFFFAOYSA-N 299.761 3.571 30 20 CHED C=CCOc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 37150716 GFKCWFUBWCCFGX-CQSZACIVSA-N 283.371 3.808 30 20 CHED CN(CC1CCCCC1)C(=O)CCc1ccc(C#N)cc1 44710730 RREXOUJBXMQVFJ-UHFFFAOYSA-N 284.403 3.530 30 20 CHED Cc1ccc(C#N)cc1NCc1cc(F)ccc1[N+](=O)[O-] 50430258 CCGJNHDYGHXSNO-UHFFFAOYSA-N 285.278 3.526 30 20 CHED N#CC1CCN(Cc2csc(-c3ccsc3)n2)CC1 57872542 OKFRWOZQTCISFW-UHFFFAOYSA-N 289.429 3.607 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cccc(F)c1 60677792 IYWOITHONGJMAE-UHFFFAOYSA-N 275.348 3.716 30 20 CHED C=C(C)COc1cccc(NC(=O)/C=C/C=C/C)c1 66463334 VXJCKPBDTSHEOY-UMCKCUICSA-N 257.333 3.712 30 20 CHED C[C@H](Nc1ccc(Cl)c(C#N)n1)c1nc2ccccc2[nH]1 67369713 XSFMBXRHSDXBAS-VIFPVBQESA-N 297.749 3.656 30 20 CHED CCN(CC#N)C(=O)CCCSc1ccc(Cl)cc1 68241090 KTZIRYLCYVJSRA-UHFFFAOYSA-N 296.823 3.584 30 20 CHED C=CCN(Cc1nnc(C(C)C)o1)CC1CCCCC1 69859884 PSQHKDVBPYKRJJ-UHFFFAOYSA-N 277.412 3.761 30 20 CHED N#Cc1cccc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 89269047 NVDGAMHXYJXTRH-ZBFHGGJFSA-N 299.761 3.549 30 20 CHED Cc1ccsc1CN[C@H](C)c1cccc(C#N)c1 91437427 PGGPEANWZUIGTQ-GFCCVEGCSA-N 256.374 3.779 30 20 CHED CCOc1ccc(NCc2cc(C#N)cs2)c(C)c1 93492444 QQCFSEZWEVUGCT-UHFFFAOYSA-N 272.373 3.939 30 20 CHED C=CCCCCCN(C)Cc1cn(C)nc1-c1cccnc1 93497993 UHJGBZBEPCZXBU-UHFFFAOYSA-N 298.434 3.660 30 20 CHED CSc1ccc(C(=O)N(CCC#N)CCC(C)C)cc1 103440725 HSWHBNJOFJINJI-UHFFFAOYSA-N 290.432 3.810 30 20 CHED C=CCCOC(=O)Cc1csc(-c2cccc(C)c2)n1 103648032 JBALRFOGCXFDNB-UHFFFAOYSA-N 287.384 3.780 30 20 CHED CCCCCCCC(=O)N1CCc2ccc(O)cc2C1 104370294 RPBLUUIBOLPLPB-UHFFFAOYSA-N 275.392 3.637 30 20 CHED C=CC1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 110361546 JXWXRQDZBSDJLG-CHWSQXEVSA-N 289.341 3.780 30 20 CHED C=CCCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 113214821 PVJNOAWJEOBWIA-QGZVFWFLSA-N 257.377 3.533 30 20 CHED C=CCC[C@@H](NCCc1ccc(OC)cc1)C1CC1 119783521 BBBQXTCXPKMSAB-QGZVFWFLSA-N 259.393 3.572 30 20 CHED CCCC(C#N)(CCC)NC(=O)C[C@@H]1CC[C@@H](C)C1 121536117 MISLMFBJXCTAJT-ZIAGYGMSSA-N 264.413 3.791 30 20 CHED C#CCOc1ccc([C@@H](C)N[C@H](C)CC(C)(C)OC)cc1 121962425 SJSWJNRSHGWALM-HUUCEWRRSA-N 289.419 3.553 30 20 CHED CC(C)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 122606753 UAOXMKGWWJGHHJ-UHFFFAOYSA-N 296.395 3.980 30 20 CHED Cc1cc(C(=O)/C=C/c2c(Cl)cnn2C)cc(C)c1F 122686354 GZHRJLIEGBCNOA-SNAWJCMRSA-N 292.741 3.726 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@](C)(C#N)C(C)C 123062626 XAYIHPRVHFWYOH-RCLKMUNOSA-N 290.794 3.798 30 20 CHED CCCCCCCCC(=O)N1CCCC[C@H]1C[C@H](C)O 124922982 IHTACUKZWNJHIS-HOTGVXAUSA-N 283.456 3.889 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc(F)ccc1F 126202145 LDSJSHLCSBYWQQ-UHFFFAOYSA-N 280.318 3.557 30 20 CHED CN(C(=O)c1sccc1Cl)c1ccccc1C#N 126475672 ZJUNCQZKCJUHKA-UHFFFAOYSA-N 276.748 3.550 30 20 CHED C[C@@H](Cc1ccc(O)cc1)N[C@H](C)c1ccc(C#N)cc1 126629381 ONIUOWBEWURUQV-UONOGXRCSA-N 280.371 3.546 30 20 CHED Cc1ccsc1CCCC(=O)[C@H](C#N)c1ccccn1 129405777 KMNGFJQTBGOMIG-CYBMUJFWSA-N 284.384 3.651 30 20 CHED CCCOc1cc(/C=C/C(=O)c2ccco2)ccc1OC 130865330 OIOPVHKWMOVKDV-SOFGYWHQSA-N 286.327 3.973 30 20 CHED CC(C)(CNC(=O)C(C)(C)C#N)Cc1cccc(Cl)c1 132116866 WTHZSFKDWROPIC-UHFFFAOYSA-N 292.810 3.575 30 20 CHED C=C(Cl)COc1ccc([C@H](C)NC2CC2)cc1 132814098 UJNWATCFMGFMLZ-NSHDSACASA-N 251.757 3.631 30 20 CHED C[C@H](N[C@@H]1CCc2c(O)cccc21)c1cccc(C#N)c1 135043686 YYCVRKNYCUNRKF-YVEFUNNKSA-N 278.355 3.602 30 20 CHED CC[C@](C)(C#N)C(=O)Nc1ccc(C(C)(C)C)cc1 136165889 OAQDZFXUZROTJW-MRXNPFEDSA-N 258.365 3.862 30 20 CHED C[C@@H](Nc1cccc(Cl)n1)c1cccc(C#N)c1 149860015 SVVWREHCLFMXAN-SNVBAGLBSA-N 257.724 3.780 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)C2(Cc3ccccc3)CC2)C1 152151786 JTYALIDXWLDKCU-KXBFYZLASA-N 296.414 3.598 30 20 CHED Cc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 154014033 BDOPJRXMOPYSEL-RBUKOAKNSA-N 291.398 3.662 30 20 CHED C=CCN(C)C(=O)N[C@@H](c1ccccc1Cl)C(C)C 154900604 QGZUBPPBXHXROR-CQSZACIVSA-N 280.799 3.865 30 20 CHED N#Cc1csc(CN(Cc2ccc(F)cc2)C2CC2)c1 155231598 XUIODKZDJPJGSQ-UHFFFAOYSA-N 286.375 3.923 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2cccc(F)c2)cc1 155583264 HRCJJIOXJLVAHA-LBPRGKRZSA-N 270.307 3.729 30 20 CHED CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)cn2)s1 155629710 AVSASPZQKXKPJA-UHFFFAOYSA-N 285.372 3.565 30 20 CHED CCCCCCCCC(=O)NC1(C#N)CCSCC1 162296123 YXSHHAOYAPNUDB-UHFFFAOYSA-N 282.453 3.643 30 20 CHED CC[C@H](CC#N)NCc1ccc(C)c(Br)c1 163696536 PYPVAWPEMOZYRD-GFCCVEGCSA-N 281.197 3.539 30 20 CHED C#CC[C@H](OC(=O)c1cc(C)c(C)s1)c1ccccn1 170805871 NZADBAVTVCMSAS-AWEZNQCLSA-N 285.368 3.681 30 20 CHED Cc1csc([C@H](C#N)C(=O)c2csc(C(C)C)n2)n1 171145458 AUKLMNBNCJIMHL-SECBINFHSA-N 291.401 3.522 30 20 CHED COCc1ccc(/C=C2/CCc3c(O)cccc3C2=O)cc1 172819163 UYNZPGPHENGOPU-PTNGSMBKSA-N 294.350 3.751 30 20 CHED C#CCCCNC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 172929420 UVRHGVIZAJCADI-ZRDIBKRKSA-N 295.304 3.638 30 20 CHED C=CCN(CC=C)C(=O)/C=C/c1cnc(C(C)(C)C)s1 173030295 CGHNWJSQWGPCIS-CMDGGOBGSA-N 290.432 3.654 30 20 CHED CCN(C(=O)Nc1cc(C#N)ccc1C)C1CCCC1 176935705 RHWWJXDMGLGAED-UHFFFAOYSA-N 271.364 3.663 30 20 CHED CCN(CC)c1ccc(CNCc2ccc(C#N)s2)cc1 176950954 PVYOVQPVSHWDRT-UHFFFAOYSA-N 299.443 3.756 30 20 CHED N#Cc1csc(CN[C@@H]2CCCOc3ccccc32)c1 177693530 NEQXGNWSQAJGTP-OAHLLOKOSA-N 284.384 3.623 30 20 CHED C#CCCCNCc1cc(Br)ccc1Cl 178627437 CAVBABCKWKVQJB-UHFFFAOYSA-N 286.600 3.606 30 20 CHED C=CCC[C@H](NCCc1cccnc1)c1ccccc1 178756462 PSIQNAQSBALQCQ-SFHVURJKSA-N 266.388 3.921 30 20 CHED CCCN(CC#N)Cc1c(Cl)cccc1N1CCCC1 179828443 PECPKRVZECOCHZ-UHFFFAOYSA-N 291.826 3.676 30 20 CHED CC(C)(C#N)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 180099810 LRDVMWDSDVIZCO-ZDUSSCGKSA-N 284.403 3.508 30 20 CHED C=C(C)CN(C)C(=O)C(C)(C)c1ccc(Cl)cc1 180377728 OYFQGBNTZPBFGL-UHFFFAOYSA-N 265.784 3.652 30 20 CHED C=C(C)CN(C)C(=O)C(CC)(CC)c1ccccc1 180477944 ZDCJLHCWRZOKFC-UHFFFAOYSA-N 259.393 3.779 30 20 CHED C[C@H](NC[C@H](C)N(C)c1ccccc1)c1cccc(C#N)c1 181503498 UNFWNQGPZVRWSD-HOTGVXAUSA-N 293.414 3.734 30 20 CHED C[C@H](NCCCN1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 181513855 XVBFKCLNBGNMQZ-ZACQAIPSSA-N 299.462 3.577 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCCc1ccc(OC)cc1 182642548 JSULTMXERAWWOG-OAHLLOKOSA-N 289.419 3.879 30 20 CHED CC#CCCCC(=O)N(C1CC1)[C@H](C)c1ccco1 185468415 RZCXMDOVSUSGLX-CYBMUJFWSA-N 259.349 3.525 30 20 CHED CC(C)[C@]1(C)C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 185730490 AIOHBUZVLKRPSN-MJGOQNOKSA-N 296.414 3.731 30 20 CHED N#C[C@H]1CCC[C@H](NCCCSc2ccc(F)cc2)C1 185767233 UAONMXUVUXMLFX-ZFWWWQNUSA-N 292.423 3.980 30 20 CHED CC#CCCCC(=O)Nc1cccc(C(C)(C)C)c1O 185851489 NAEPTJJJSMOZIV-UHFFFAOYSA-N 273.376 3.822 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 187557003 VJQXVDDHHQCDGH-INIZCTEOSA-N 294.329 3.996 30 20 CHED N#Cc1ccc(COc2cnc3ccccc3c2)c(F)c1 187896771 AQMAAIMXCHJCPQ-UHFFFAOYSA-N 278.286 3.825 30 20 CHED C=CCC1(C(=O)NC[C@H](C)Oc2cccc(C)c2)CCC1 188217342 NWSFZHMGYZXCQR-HNNXBMFYSA-N 287.403 3.625 30 20 CHED CCC[C@H]1C[C@H](C(=O)N(CCC#N)C(C)(C)CC)CCO1 189908409 NPRYSLNETCNNHR-CABCVRRESA-N 294.439 3.513 30 20 CHED C=C[C@](C)(CC)C(=O)N[C@H](C)CCc1ccc(OC)cc1 191131902 HNEWGHYUEIFNIF-RDTXWAMCSA-N 289.419 3.735 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 193054828 HBCCMXYJXVNYPD-SOFGYWHQSA-N 296.301 3.715 30 20 CHED N#Cc1cccc(OCCCN2CCC[C@@H]3CCC[C@H]32)c1 228013193 KYFYBRBHPXSASZ-FUHWJXTLSA-N 284.403 3.592 30 20 CHED C[C@@H](NCc1ccc(OCC#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 251654060 SZGUFRZBPGUISZ-GRZALLJUSA-N 284.403 3.503 30 20 CHED C[C@@H]1CC[C@H](NCc2cc(C#N)ccc2F)C[C@H]1C 251950074 WSLNHJXVFPZYEP-JMSVASOKSA-N 260.356 3.612 30 20 CHED CC[C@@H](C#N)OC(=O)/C=C(/C)c1cccc(Cl)c1 254943997 KHTLFKXBTOLKMS-SZNGSJQDSA-N 263.724 3.589 30 20 CHED O=C1/C(=C\c2cccc3nccn23)CCc2cc(F)ccc21 255339235 LIBMAIZZZRAHHW-QBFSEMIESA-N 292.313 3.686 30 20 CHED CCOc1ccccc1OCCON=Cc1cccs1 255572107 AXELIPHGMYACDA-UHFFFAOYSA-N 291.372 3.576 30 20 CHED COC[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccc(C)o1 267545767 QQLFQMBNTVRMSO-CYBMUJFWSA-N 292.285 3.538 30 20 CHED C=CCN(C(=O)Nc1ccc(OC)c(Cl)c1)C1CC1 271389655 QTAOZEZRQQOAIC-UHFFFAOYSA-N 280.755 3.531 30 20 CHED C[C@H](NCc1ccc([C@@H](C)O)cc1)c1ccc(C#N)c(F)c1 271938458 NVOHSYWFEBAQAV-QWHCGFSZSA-N 298.361 3.601 30 20 CHED C=C[C@](C)(CC)C(=O)NC1CC(c2ccccc2)C1 276971486 UGUCTAJFYUOELK-VMBOVVBDSA-N 257.377 3.651 30 20 CHED CC(C)(C#N)CC(=O)NCCc1ccc(C(C)(C)C)cc1 278635062 YNLNHLKQJMRQJZ-UHFFFAOYSA-N 286.419 3.583 30 20 CHED C[C@@H](NCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 278900027 JQXYJIIYNCTYOZ-MRVPVSSYSA-N 291.342 3.752 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccnn1C(C)C 279732970 WEXITPKSLSIRLK-UHFFFAOYSA-N 299.418 3.661 30 20 CHED CC(C)c1occc1C(=O)Nc1ccccc1O[C@H](C)C#N 280342986 MKQFFUYPHXRMAB-GFCCVEGCSA-N 298.342 3.946 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(SC)cc1 282338069 UWBFBPPCAHOFQF-NWDGAFQWSA-N 278.421 3.733 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 284858464 DIAPEPNGRGAZOJ-SCLBCKFNSA-N 284.403 3.682 30 20 CHED CC[C@@H](C)CN(CC)C(=O)c1cc(C#N)ccc1Cl 286049485 KDLVMCNSYYTIDI-LLVKDONJSA-N 278.783 3.720 30 20 CHED C=CCOCCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 286283399 IFUGVOJSMPDGMS-RDJZCZTQSA-N 287.403 3.579 30 20 CHED CC[C@@H](Nc1ccnc(C#N)c1)c1ccc(OC)c(OC)c1 286299767 JKGQOVWRGUGDPP-OAHLLOKOSA-N 297.358 3.534 30 20 CHED C=CCC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 291527550 ZFUOBLDRLYLGDN-JKSUJKDBSA-N 284.403 3.791 30 20 CHED C=CCC(C)(C)C(=O)NCCc1nc2ccccc2s1 292197961 IFXPAYAXAZYJDY-UHFFFAOYSA-N 288.416 3.557 30 20 CHED C=CCC(C)(C)C(=O)N(CC)CCc1cccs1 292887673 DHHAMRVLZHPWBG-UHFFFAOYSA-N 265.422 3.741 30 20 CHED C=CC[C@H](C)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 294566199 BRVKMSYDYMJGKI-UONOGXRCSA-N 288.391 3.649 30 20 CHED C=CC(C)(C)C(=O)N(C)Cc1ccc(SC)c(OC)c1 294643797 GXOCKURRMQPEII-UHFFFAOYSA-N 293.432 3.588 30 20 CHED CS[C@@H]1CC[C@H](N[C@H](C)c2ccc(OCC#N)cc2)C1 300413758 CSQQGZWCXKECSX-IVMMDQJWSA-N 290.432 3.524 30 20 CHED N#Cc1ccc(NC2CCN(CC3CCCC3)CC2)cc1 301057139 ADFDTTCWTRUACL-UHFFFAOYSA-N 283.419 3.625 30 20 CHED Cc1nnc(Nc2cccc(COC(C)C)c2)c(C#N)c1C 301126390 QGKNKDSQCBSESK-UHFFFAOYSA-N 296.374 3.634 30 20 CHED COc1ccc2c(c1)CN(c1cc(Cl)ccc1C#N)CC2 301215168 ZDJONDSPBBOAHU-UHFFFAOYSA-N 298.773 3.783 30 20 CHED C[C@@H]1CC[C@@H](C)N1c1ccc(C#N)cc1Br 301891314 LYVPDKQCTWORNP-NXEZZACHSA-N 279.181 3.698 30 20 CHED CC(C)c1ccc(CCCNc2ccc(C#N)nn2)cc1 301999611 PTMRLYXPTABGKV-UHFFFAOYSA-N 280.375 3.516 30 20 CHED N#Cc1cc(F)ccc1N1CCC[C@H](c2nccs2)C1 302009972 AGELILJOUNFREL-NSHDSACASA-N 287.363 3.538 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(Sc2ccccc2F)c1 302217796 QCWISMBCQNEMSU-UHFFFAOYSA-N 274.276 3.757 30 20 CHED CCc1cccc(N/C(N)=N/CCC2=CCCCC2)c1 303706029 LJPDWZWPZXLHIV-UHFFFAOYSA-N 271.408 3.866 30 20 CHED C=CCOCCN[C@@H](C)c1cc2ccccc2s1 305755399 RONUIMSYWPXLJB-LBPRGKRZSA-N 261.390 3.755 30 20 CHED C=CC[C@@H](CC)Nc1ncccc1Br 308512624 LMOQITVBYSDBKN-SECBINFHSA-N 255.159 3.611 30 20 CHED CC(C)(CCC#N)CNCc1cc(Cl)cs1 309328214 AAROQIODUFNMME-UHFFFAOYSA-N 256.802 3.821 30 20 CHED N#CCc1cccc(NC(=O)[C@H]2CCCC(F)(F)C2)c1 313509599 FCQPWWBJBNPVAO-LBPRGKRZSA-N 278.302 3.517 30 20 CHED C[C@H](NC[C@]1(N(C)C)CCC[C@@H](C)C1)c1cccc(C#N)c1 314917603 MQZULGGJAKFLCX-GJYPPUQNSA-N 299.462 3.719 30 20 CHED C#CCN(C)CCCN[C@H](C)c1cccc(Cl)c1Cl 328264877 MEBGQVIOADMACY-GFCCVEGCSA-N 299.245 3.599 30 20 CHED Cc1ncc(N=C(O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cn1 329049510 GTJUKVJAIPBOTA-VHDGCEQUSA-N 273.380 3.980 30 20 CHED CCc1nc(N=C(O)c2cccnc2C2CC2)sc1C 329680212 XTCFTBDTSTUUBK-UHFFFAOYSA-N 287.388 3.923 30 20 CHED CCc1cnccc1[C@H](C)/N=C(/O)[C@H]1CCCCC(O)=N1 329840984 OKIWLWXFBVRPDP-SMDDNHRTSA-N 289.379 3.561 30 20 CHED N#C[C@@H]1CCC[C@@H]1/N=C(/O)N[C@@H]1CCCCC12CCCC2 329842804 XDWNAPGEWHBMEN-SOUVJXGZSA-N 289.423 3.685 30 20 CHED CCc1ccc(/C(O)=N/[C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] 330377925 FNNIEHSAGWBLRV-GXFFZTMASA-N 276.336 3.650 30 20 CHED N#C[C@]1(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC12CCCC2 333534606 JSWICJAQMPNGDZ-VKJFTORMSA-N 286.419 3.545 30 20 CHED Cc1cscc1NC(=O)Nc1cc(C#N)ccc1C 335772635 NYZZLPMSTICXSG-UHFFFAOYSA-N 271.345 3.881 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(F)c1F 336099858 OGMJWHUBTSOOGZ-SECBINFHSA-N 284.281 3.676 30 20 CHED C[C@H](N(C)C(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C 336205905 NXBUKFIEKPKWIF-JTQLQIEISA-N 278.783 3.718 30 20 CHED N#Cc1cccc(NC(=O)c2ccc(C(F)F)cc2)c1 336436261 AEECIOKXVIPFSK-UHFFFAOYSA-N 272.254 3.748 30 20 CHED CC(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2Cl)c1 336540750 LLHFCJYIFRQUIU-UHFFFAOYSA-N 298.729 3.667 30 20 CHED CCSc1cccc(CNc2ccc(C#N)nc2)c1 337682221 VZVRPFXDWGIHNC-UHFFFAOYSA-N 269.373 3.677 30 20 CHED CCC[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1C 337846625 XAVLGHIYSWNIRE-OAHLLOKOSA-N 270.376 3.662 30 20 CHED C[C@H]1CC(CCNc2ncc(C#N)cc2Cl)C[C@H](C)O1 338485145 QKVAXRHEPYECRJ-QWRGUYRKSA-N 293.798 3.612 30 20 CHED C=CCOCCSc1nc(C)c(C)n1CCCC 338539199 COSDCMCGHXRPOD-UHFFFAOYSA-N 268.426 3.595 30 20 CHED Cc1ccccc1CNc1ncc(C#N)cc1Cl 339230529 KGDHDRAAZVSQTD-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=C(C)[C@H](CC(=O)N1CCC2(CCCC2)CC1)OCC 339362646 WAWBSGUPXOWMQP-HNNXBMFYSA-N 279.424 3.541 30 20 CHED N#Cc1cc(F)cc(OCc2nc(C3CC3)cs2)c1 340819654 ICNHCQDBEFNBTJ-UHFFFAOYSA-N 274.320 3.610 30 20 CHED CCN(Cc1cccc(F)c1)C(=O)C1(C#N)CCCCC1 341893997 INFHGKSKJVSYIG-UHFFFAOYSA-N 288.366 3.648 30 20 CHED CCCN(CCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 342604416 YHULXGNIMYNZKM-IBGZPJMESA-N 299.462 3.667 30 20 CHED N#Cc1ccc(NC[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 342725649 IBPDOZQFPPOMPB-AWEZNQCLSA-N 293.326 3.608 30 20 CHED CC(C)[C@@H]1CCN1Cc1cccc(OCCCC#N)c1 342861420 NCQRMEMRVOMWTI-KRWDZBQOSA-N 272.392 3.599 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc(-n2ccc(C)n2)cc1 343260948 RLSHQYAOOURSGS-CQSZACIVSA-N 297.402 3.655 30 20 CHED N#Cc1cccc(CCN[C@@H]2CCCOc3ccccc32)c1 343601813 MPKYCCRMZUPNEE-GOSISDBHSA-N 292.382 3.604 30 20 CHED C[C@@H](NCc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 343683794 IFXJBBTVSDUNBB-CYBMUJFWSA-N 295.342 3.512 30 20 CHED N#Cc1ccc(CNC[C@@H]2SCCc3ccccc32)cc1 344769278 UYWDCRHTFFLAAX-SFHVURJKSA-N 294.423 3.678 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1c1nc(C2CCC(C)CC2)no1 346246964 FWZVTJDQLBQDKW-CLRIEMFWSA-N 276.380 3.812 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](CCO)c1ccc(Cl)cc1 348223009 XJOZCWWKRYFQBA-ZENOOKHLSA-N 281.827 3.954 30 20 CHED CCCCN(C(=O)C[C@H](CC#N)c1ccccc1)C1CC1 354321736 ZNRIKQSJUZUVRM-INIZCTEOSA-N 284.403 3.865 30 20 CHED CC(C)C[C@@H]1CCCN1Cc1cn2ccccc2c1C#N 354679518 VYYBLLAXAQMDOD-INIZCTEOSA-N 281.403 3.821 30 20 CHED CCOc1ccc(C#N)cc1NCc1sccc1OC 354869378 QPEVSGQVIXAUCW-UHFFFAOYSA-N 288.372 3.639 30 20 CHED CCOCc1ccc(NCc2ccc(C#N)s2)cc1 355396367 AAOHCQRFYACOGC-UHFFFAOYSA-N 272.373 3.768 30 20 CHED C=CCC1(C(=O)Nc2cnn(CCC(C)C)c2C)CCC1 358203771 TTZPWPVPNMRDMY-UHFFFAOYSA-N 289.423 3.923 30 20 CHED CC(C)(C)C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1 359069387 NDVPDHBRWHXKKP-INIZCTEOSA-N 295.386 3.794 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCCc2c(O)cccc21 361662497 QQJSPHBXMPHNOI-WOSRLPQWSA-N 259.393 3.960 30 20 CHED C=CCCCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 368253521 HVVFSRLZBIPTAW-RHSMWYFYSA-N 287.403 3.961 30 20 CHED CC(C)n1ncc2c1[C@@H](Nc1ccc(C#N)cc1)CCC2 368845277 ONKPPXSOQGHSRL-INIZCTEOSA-N 280.375 3.825 30 20 CHED C=C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)OC 385125033 WZEBOULVGRLVQP-MRXNPFEDSA-N 283.327 3.618 30 20 CHED C=CCCCCCCNC[C@@H](O)c1ccc(F)cc1 389220494 WHNGUCFVIVWLGQ-MRXNPFEDSA-N 265.372 3.585 30 20 CHED N#Cc1cc(F)c(NC2CCC(F)(F)CC2)c(F)c1 390006628 MFFOUNYCZHCDLQ-UHFFFAOYSA-N 272.245 3.826 30 20 CHED N#CCc1ccc(COc2c(F)cccc2F)cc1 398974577 YERVTXBMWBVBHH-UHFFFAOYSA-N 259.255 3.610 30 20 CHED Cc1cc2ncn(Cc3ccc(CC#N)cc3)c2cc1C 399130571 NEKOAFHQXCLSKE-UHFFFAOYSA-N 275.355 3.768 30 20 CHED C=CC[C@H](CC)NC(=O)[C@H](C)SCc1ccccc1 410131968 SCNJVXMCEZSDGZ-ZFWWWQNUSA-N 277.433 3.779 30 20 CHED CCC[C@H]1CCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1 410528637 SUCWDAYOXPNTQR-HOCLYGCPSA-N 270.376 3.737 30 20 CHED CC(C)CCN(CCC(C)C)C(=O)CSCCC#N 413010374 GHBGIVKNIPBVQZ-UHFFFAOYSA-N 284.469 3.554 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC=CCC1 413289533 HFAMLSSLKSNHMF-SJORKVTESA-N 284.403 3.582 30 20 CHED CC[C@H](C)[C@H](C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 416692508 TVPFQGLDUNFGMQ-DCGLDWPTSA-N 299.418 3.669 30 20 CHED C=CCOCCS[C@H](C)c1nc(-c2ccccc2)no1 419449225 YJFXNLZNHLAVQF-GFCCVEGCSA-N 290.388 3.733 30 20 CHED CC1(C)C[C@@H](c2ccccc2)N(c2ncccc2C#N)C1 425287050 UZILENCGDYDEMF-INIZCTEOSA-N 277.371 3.931 30 20 CHED C=CCC(C)(C)c1nc(Cc2cc(F)cc(F)c2)no1 426407763 WOGRDUDMFROQLF-UHFFFAOYSA-N 278.302 3.792 30 20 CHED CC(C)c1ccc([C@@H](NC(=O)NCCC#N)C(C)C)cc1 426415546 DBORRLQOQSVHRO-INIZCTEOSA-N 287.407 3.720 30 20 CHED C=CC[C@H](C)NC(=O)N1CC[C@@](C)(c2ccc(C)cc2)C1 435469611 KHXSVGLVDFLFCI-MAUKXSAKSA-N 286.419 3.633 30 20 CHED CCC(CC)NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 435553068 ZZCONZWDWOMXRG-UHFFFAOYSA-N 289.379 3.656 30 20 CHED C[C@H]1CC[C@@H](NCc2cccc(OCCCC#N)c2)C1 436410910 MYWXBHYKYMFCFS-GOEBONIOSA-N 272.392 3.647 30 20 CHED C=CCC[C@H](C)Nc1cc(NC(=O)N(C)C)ccc1C 437354107 RTQUPUOASNWAQN-ZDUSSCGKSA-N 275.396 3.855 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@H]1C(C)(C)C 438193786 WFBNHNIEWUXYFH-MRXNPFEDSA-N 272.392 3.577 30 20 CHED C=CCC[C@H](NCc1ccc(N2CCCCC2)nc1)C1CC1 439097462 YGHNBHHQEWPICC-SFHVURJKSA-N 299.462 3.906 30 20 CHED COc1cc(CN(C)Cc2cc(C)ccc2F)ccc1C#N 443074519 VSZKQPVDYUIWLV-UHFFFAOYSA-N 298.361 3.646 30 20 CHED Cc1sc(NC(=O)CC[C@@H]2CC[C@H](C)O2)c(C#N)c1C 443819667 XJLIWYPWTVGVID-CABZTGNLSA-N 292.404 3.523 30 20 CHED COc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)c(Cl)c1 444719813 RUULIIKUHLGROK-HNNXBMFYSA-N 292.810 3.863 30 20 CHED CCC1(CC)CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 445695131 PGGCVYCDFXWWLK-AWEZNQCLSA-N 299.418 3.841 30 20 CHED CC(C)(C#N)CC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 447398432 SIHBNMRECGNSOO-MRXNPFEDSA-N 282.387 3.605 30 20 CHED CCC(C)(C)c1ccc(NC(=O)N[C@H](C)CC#N)cc1 448121426 GPNCXAZQYWSPTG-GFCCVEGCSA-N 273.380 3.798 30 20 CHED CC1(C#N)CCC(NCC2(C(F)(F)F)CCC2)CC1 449322984 QVUHEXMAMDBUPO-UHFFFAOYSA-N 274.330 3.781 30 20 CHED C[C@@H](CN(C)CC(C)(C)C#N)c1cc(F)cc(F)c1 449339948 LVYUABXEAYUFOG-NSHDSACASA-N 266.335 3.550 30 20 CHED C=C(C)COc1cc(CNC2CC(C)(F)C2)ccc1OC 449369947 GOZXCKUALLYIHD-UHFFFAOYSA-N 293.382 3.630 30 20 CHED N#Cc1ccc(CNCC[C@H]2CCc3ccccc32)s1 449375356 IFWWKZPICWFPOK-CQSZACIVSA-N 282.412 3.829 30 20 CHED C=CCC1(C(=O)NCc2nc3ccc(C)cc3[nH]2)CCCC1 450011379 VONAZBKBSWRHQP-UHFFFAOYSA-N 297.402 3.624 30 20 CHED C=CCC[C@@H](O)CN[C@@H](C)c1cccc(C2CC2)c1 451112370 JDRBTLQZXQCEAW-SUMWQHHRSA-N 259.393 3.542 30 20 CHED N#Cc1cc(Cl)ccc1CN1CCSC[C@H]1C1CC1 451656031 SAYZMZWRVMCMHV-HNNXBMFYSA-N 292.835 3.539 30 20 CHED C=CCC1(C(=O)N2CC(C)(C)[C@@H]2C2CC2)CCCC1 452151692 LQPUYCUKGJBPRP-AWEZNQCLSA-N 261.409 3.770 30 20 CHED C=C(C)CCNC(=O)[C@H](C)Sc1ccc(C)cc1 452722193 JKACTJJLPITNGK-ZDUSSCGKSA-N 263.406 3.558 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H](CC)c1ccc(OC)cc1 452771989 CIFDILYCVHGCLZ-HNNXBMFYSA-N 275.392 3.517 30 20 CHED C=CC(C)(C)CNC(=O)C[C@H](C)c1ccccc1OC 452777950 WMJNXHHJHSKYPQ-ZDUSSCGKSA-N 275.392 3.517 30 20 CHED C=CCCc1noc(-c2ccc(OC)c(C3CC3)c2)n1 453237169 OPWLSUIXWCKMNF-UHFFFAOYSA-N 270.332 3.741 30 20 CHED C=CCN(C)C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 455575358 BOAAGGQVWSHBGQ-UKRRQHHQSA-N 292.810 3.804 30 20 CHED CC[C@]1(C(C)C)C[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 455606727 BGQUIJQOKIUQSA-SJLPKXTDSA-N 299.418 3.524 30 20 CHED C=C[C@H](CC(=O)N[C@@]1(C)CC=CCC1)c1ccccc1 458327212 BSKRLJIPSCIUKV-QAPCUYQASA-N 269.388 3.961 30 20 CHED CN(Cc1cc(C#N)ccc1F)C[C@@H]1C[C@H]1c1ccccc1 459274197 ALABKICUUUHCPE-WMZOPIPTSA-N 294.373 3.933 30 20 CHED C=C(C)Cn1c(C(C)C)nnc1N1CCCC[C@H]1CC 460931203 HIKPHIUSSZUHTK-CQSZACIVSA-N 276.428 3.747 30 20 CHED CC#CCCN1CCS[C@@H](C)[C@H]1c1ccccc1 462327919 PWBMTFKEYYHBGC-HOCLYGCPSA-N 259.418 3.578 30 20 CHED C=C(C)[C@H](CC(=O)N[C@H]1CCCCC12CCCC2)OCC 462981982 SKSZRQNWRICLJU-HOTGVXAUSA-N 293.451 3.977 30 20 CHED C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1C(C)C 463101299 FIGSTEBUGCFQLE-UHFFFAOYSA-N 286.379 3.730 30 20 CHED CC(C)CN(C(=O)[C@H](C)c1cccc(C#N)c1)C(C)C 463349833 SGGXQXQYFVPUGG-CQSZACIVSA-N 272.392 3.555 30 20 CHED CC(C)(C)c1ccccc1C(=O)N[C@@H](C#N)C(C)(C)C 464709131 GZVMNZVDEJYJQI-AWEZNQCLSA-N 272.392 3.652 30 20 CHED C=C[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)s2)n1 465105926 BTKBPCNASIKBIE-SSDOTTSWSA-N 298.820 3.829 30 20 CHED C=CC[C@H](CC)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 466367577 WVSMSZNWJNJUAR-LBPRGKRZSA-N 298.789 3.975 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCSCc1ccccc1F 467429345 WUESFMIMMQQUEP-INIZCTEOSA-N 295.423 3.777 30 20 CHED C=CCCC(=O)NCC1(c2ccc(C)c(C)c2)CCC1 468812861 CZHBLTXPYXULRZ-UHFFFAOYSA-N 271.404 3.808 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)CCc1ccoc1 470644095 ZMIKHUGIGJUWBY-UHFFFAOYSA-N 283.371 3.817 30 20 CHED C=CCCCCNC(=O)CCSCc1ccccc1 471133531 LRWNPWWLWFNDBP-UHFFFAOYSA-N 277.433 3.782 30 20 CHED C=CCC(CC=C)C(=O)Nc1c2c(nn1C(C)C)CCC2 471696047 ZEDVDJSKVLWXME-UHFFFAOYSA-N 287.407 3.660 30 20 CHED C=CCCCCNC(=O)N(C)Cc1ccc(Cl)c(F)c1 472865781 YODPTORHDIZKOE-UHFFFAOYSA-N 298.789 3.977 30 20 CHED C=C(C)CS[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 477012605 PYYBSTNRMAOUDV-IGQOVBAYSA-N 269.454 3.625 30 20 CHED C=CCCC1(C(=O)Nc2cc(C)cc(OC)c2C)CC1 477090166 PISRCTYFSWZCLU-UHFFFAOYSA-N 273.376 3.997 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1 481304445 DFIALILBJUOREK-JYJNAYRXSA-N 281.440 3.785 30 20 CHED CC(C)c1ccc(CNC(=O)c2ccc(C#N)s2)cc1 486815841 UGWNLKZOVCHOEH-UHFFFAOYSA-N 284.384 3.673 30 20 CHED C=CCC(C)(C)C(=O)NCC(C)(C)C1CCCC1 488290963 FMKYEFBWFUFCDJ-UHFFFAOYSA-N 251.414 3.921 30 20 CHED C=CCn1cccc1C(=O)N(C)Cc1cc2ccccc2o1 488727698 AZCUAEPFMONFDC-UHFFFAOYSA-N 294.354 3.693 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1 488845794 ZIFSTLCLZSTNON-ZDUSSCGKSA-N 294.192 3.630 30 20 CHED C=CCC(C)(C)CNC(=O)c1c(C)cc(C)cc1C 489741527 OPFZZXMMCNUGEB-UHFFFAOYSA-N 259.393 3.944 30 20 CHED C=CCC(C)(C)CNC(=O)Cc1ccc(C)cc1Cl 490013814 NOTWNYSQDIGTGP-UHFFFAOYSA-N 279.811 3.909 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1ccc(C)c(N2CCNC2=O)c1 494475199 LXKWYLUMMXHQPB-GXTWGEPZSA-N 287.407 3.537 30 20 CHED C=C(C)CN(C)C(=O)NCC1(c2ccccc2)CCCC1 498132805 VNSLTVXNDKMZNT-UHFFFAOYSA-N 286.419 3.716 30 20 CHED CC#CCCNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 498606060 NCXLAEFQABPJFU-GFCCVEGCSA-N 297.320 3.729 30 20 CHED CC#CCCNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 499017799 UXFSHEHSGQBJNS-LBPRGKRZSA-N 297.320 3.729 30 20 CHED Cc1cc(SCC2(C#N)CC2)nc2ccccc12 500766914 CKILHNCVXXIWNB-UHFFFAOYSA-N 254.358 3.939 30 20 CHED C=CC[C@H](C)NC(=O)CCc1ccc(CC(C)C)cc1 503464221 IGTSFRRUFDKNIA-HNNXBMFYSA-N 273.420 3.899 30 20 CHED CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 503907733 IOWPJTMUUWYBFP-RCBQFDQVSA-N 260.356 3.805 30 20 CHED C=C(C)CN(CC)Cc1ccccc1OC(F)F 505848634 WSLGCIXIUAHDTC-UHFFFAOYSA-N 255.308 3.686 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F 506789550 MJXROQGTEIYSFF-HZMBPMFUSA-N 298.308 3.822 30 20 CHED C[C@@H]1CCC[C@H](NCCSCc2ccccc2C#N)C1 508312048 AXBJEEFIPXDPFA-PBHICJAKSA-N 288.460 3.960 30 20 CHED C=C(C)CCc1noc([C@@H]2Cc3cc(C)c(C)cc3O2)n1 508598227 FVZMQWMTDQHCPG-HNNXBMFYSA-N 284.359 3.871 30 20 CHED C=CC[C@@H](CC)NC(=O)c1ccc(OC(F)F)c(F)c1 512100242 RLHQNWONXQWJKE-SNVBAGLBSA-N 287.281 3.512 30 20 CHED C[C@H](NC(=O)c1cscc1C#N)c1ccc(C2CC2)cc1 516552731 HEEBKJUWDJFXHQ-NSHDSACASA-N 296.395 3.988 30 20 CHED N#Cc1ccnc(Oc2ccc(OC3CCCCC3)cc2)n1 516713817 NHLUOYNTYNDAKS-UHFFFAOYSA-N 295.342 3.852 30 20 CHED C=C[C@](C)(CC)c1nc(Cc2ccccc2F)no1 519225546 PXKANMUAYZMLQX-OAHLLOKOSA-N 260.312 3.653 30 20 CHED Cc1cn(Cc2ccc(C(F)(F)F)cc2)cc1C#N 532089693 ZQTPBBWVLZCJBF-UHFFFAOYSA-N 264.250 3.735 30 20 CHED C=C[C@H](CC(=O)N(C)[C@H](C)CCC)c1ccccc1 535373808 ZBWJIBHWAJVJLQ-HUUCEWRRSA-N 259.393 3.993 30 20 CHED C[C@H](c1ccco1)N(C)C(=O)c1ccc(Cl)c(C#N)c1 537581519 XVYAJROZRJNSOE-SNVBAGLBSA-N 288.734 3.638 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H](C)OC1CCCCCC1 539441190 UNLCTXPTDVYQAB-CABCVRRESA-N 281.440 3.975 30 20 CHED Cc1ccc(C[C@@H](C)NCc2ccc(C#N)s2)c(C)c1 540598915 LUTADSXNKSXMGF-CQSZACIVSA-N 284.428 3.957 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H](CC(C)C)C2)c1C#N 541349154 MBELMJFZIFNAJE-GFCCVEGCSA-N 277.799 3.788 30 20 CHED COc1cc(C#N)ccc1NCCCc1ccsc1 545294055 SAHIKXPSCIULLG-UHFFFAOYSA-N 272.373 3.673 30 20 CHED C=CCCCCNC(=O)c1oc2ccc(OC)cc2c1C 547431554 OLXHKDWLBBMDDB-UHFFFAOYSA-N 287.359 3.836 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N(C)CC1CCC1 549263364 FXHGROQSKLOEKU-CYBMUJFWSA-N 276.428 3.604 30 20 CHED C[C@@H](C#N)CNCC1CCC(c2ccccc2)CC1 554862995 SZCLKRLJPZLDTL-UQPPLGOBSA-N 256.393 3.710 30 20 CHED C/C(=C\c1ccccc1)CN(C)[C@@H]1CC[C@@H](C#N)C1 555461748 UNLZJDCJTVRUKQ-PNUWANSTSA-N 254.377 3.714 30 20 CHED C/C=C\c1ccc(NC(=O)Cc2c(F)cccc2C#N)cc1 557936817 PTSUOJJCQPITSW-RQOWECAXSA-N 294.329 3.912 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNC(C1CCC1)C1CCC1 558974704 UJQKNIQXVADTJT-DOTOQJQBSA-N 263.425 3.526 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@@](C)(CCC)C1 559008473 YRASPESCWXZACD-MRXNPFEDSA-N 276.428 3.569 30 20 CHED CCOC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)C(C)C 560001855 COLBVOPIOJWTHO-DLBZAZTESA-N 274.408 3.660 30 20 CHED C=CCC[C@H](NCc1ccc(C#N)cn1)c1ccccc1 562047298 JTFKTISAYJZESR-SFHVURJKSA-N 277.371 3.750 30 20 CHED CCc1ccc([C@@H](C#N)N(C)C(=O)c2oc(C)cc2C)cc1 568172881 CUTJFVXTISVRAF-MRXNPFEDSA-N 296.370 3.796 30 20 CHED CS[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C 571129761 YYHREKHFJASFPC-HOTGVXAUSA-N 288.460 3.913 30 20 CHED COc1cccc([C@H]2C[C@H](Nc3nccc(C)c3C#N)C2)c1 573673605 LVKLDACCLTYDCM-SHTZXODSSA-N 293.370 3.628 30 20 CHED C[C@H]1C[C@H](C(C)(C)C)CCN1c1cccc(C#N)n1 574214742 KYQNOBMNELGECX-QWHCGFSZSA-N 257.381 3.604 30 20 CHED C=CCC[C@@H](C(=O)N1CCC[C@H](F)C1)c1ccccc1 577120059 UUKMTOCIPBFWDD-JKSUJKDBSA-N 275.367 3.697 30 20 CHED C[C@]1(c2ccccc2)C[C@@H]1C(=O)N[C@H](C#N)C1CCCCC1 578843790 KAMMIYRNNCDRGA-ZHALLVOQSA-N 296.414 3.553 30 20 CHED N#Cc1ncccc1N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 579557613 BQYQCZMAPMEHOQ-UKRRQHHQSA-N 281.334 3.841 30 20 CHED C=CCN(CCc1ccccc1)Cc1ccc(Cl)cn1 579628675 MMNQBTIUMLMRGA-UHFFFAOYSA-N 286.806 3.966 30 20 CHED Cc1nc(NCC2(CC#N)CC2)c2c3c(sc2n1)CCC3 583788015 YRHJMNHUHFMTRB-UHFFFAOYSA-N 298.415 3.594 30 20 CHED C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 586806909 QYKUGPURXPEIKK-YFHUEUNASA-N 288.435 3.745 30 20 CHED O=C1/C(=C\c2cccc(C(=O)O)c2Cl)Cc2ccccc21 588558379 VXBYJUXZSWSJLU-XFXZXTDPSA-N 298.725 3.861 30 20 CHED CCN(C)c1ccc(/C=C2\CCCC(C)(C)C2=O)cn1 588579706 YJXHTXIVYTZYOB-SDNWHVSQSA-N 272.392 3.700 30 20 CHED CC[C@@H](C)COc1c(Br)cccc1CC#N 589268671 XLXKOMJDGRFKFF-SNVBAGLBSA-N 282.181 3.940 30 20 CHED CC[C@H](CNc1cccnc1C#N)c1ccccc1 589557645 FRKPZHLIJVCSTG-CYBMUJFWSA-N 251.333 3.559 30 20 CHED Cc1noc(C)c1N(C)CCC1(C#N)CCCCC1 591018782 YBOOEKWYPWISIX-UHFFFAOYSA-N 261.369 3.592 30 20 CHED CCC(CC)CN(CCC#N)Cc1cc2cnccc2o1 593572207 LBBWRNSINGHTQX-UHFFFAOYSA-N 285.391 3.980 30 20 CHED CC[C@@H](C#N)N(C)C(=O)c1cc2c(Cl)cccc2s1 594097967 QLWMSKLIRZHWBL-VIFPVBQESA-N 292.791 3.929 30 20 CHED N#CCC1(CSc2nc(C(F)(F)F)ccc2C#N)CC1 594895367 RLTZXRHAKPMJQL-UHFFFAOYSA-N 297.305 3.758 30 20 CHED N#CC[C@H]1CCCN([C@H]2CCCc3ccc(F)cc32)C1 595619491 BZGCITHTBIXESM-DYVFJYSZSA-N 272.367 3.829 30 20 CHED CC(C)c1nnc(CSCC2(CC#N)CC2)s1 596371590 YDFAKECYRCQIOG-UHFFFAOYSA-N 267.423 3.589 30 20 CHED N#CCc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 596671353 ILQQUKICGOAXDU-UHFFFAOYSA-N 281.359 3.555 30 20 CHED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CC2(CC2)C1 596982314 YOKHJOKKICBXAU-UHFFFAOYSA-N 296.414 3.733 30 20 CHED CCN(C[C@H](O)CC(C)(C)C#N)c1cccc2ccccc12 598628223 MCBLZVDGLQBFND-MRXNPFEDSA-N 296.414 3.967 30 20 CHED C[C@H](CCC#N)CN[C@H](C)CCOCc1ccccc1 602661688 IJEJQDKNBJWVPR-HZPDHXFCSA-N 274.408 3.511 30 20 CHED Cc1ccc([C@@H]2CCCN2CC2(CC#N)CC2)cc1 602759069 OSVVWVYHYQVKIE-INIZCTEOSA-N 254.377 3.826 30 20 CHED C[C@H](C#N)C(=O)Nc1ccc(NC2CCCCC2)cc1 609920915 OYZZBGVKIGWZJT-GFCCVEGCSA-N 271.364 3.529 30 20 CHED CC(C)c1ccc([C@@H](C)CC(=O)N(C)C[C@@H](C)C#N)cc1 609987100 AQPXVPPIUVYWMD-GJZGRUSLSA-N 286.419 3.922 30 20 CHED N#CC1(CSc2nc3ccc(Cl)cc3[nH]2)CC1 611232193 RRJYKAVWMYUWKO-UHFFFAOYSA-N 263.753 3.612 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N2CCC[C@@](C)(C#N)C2)cc1 612245334 OCMPTKAKEPCIDV-KXBFYZLASA-N 298.430 3.895 30 20 CHED CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@](C)(C#N)C1 612370358 ZSAOOGDVJSAGLI-DOTOQJQBSA-N 276.424 3.745 30 20 CHED Cc1ccc(-c2ncc(CNCC(C)(C)C#N)s2)cc1 612585119 ORIUAMYQBGYQDG-UHFFFAOYSA-N 285.416 3.758 30 20 CHED C=C(C)CN(C)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 613304446 CRNKTVIWLCWQGS-DLBZAZTESA-N 271.404 3.680 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc(N2CCCC2)c1 615285405 CLFMQQVFDQBWDI-UHFFFAOYSA-N 286.419 3.619 30 20 CHED C=CC[C@H]1CCCN(C(=O)CCc2cccc(C)c2)C1 617787404 NXJVJJASLLUPOR-KRWDZBQOSA-N 271.404 3.742 30 20 CHED Cc1cc(C)nc([S@](=O)CCCCC(C)(C)C#N)c1 618534835 QRWQGFZZLLPRNM-LJQANCHMSA-N 278.421 3.526 30 20 CHED CCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccn1 618567915 IRGZPHLUNGJXDH-LZWOXQAQSA-N 257.381 3.595 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2NCc1csc(C2CC2)n1 618741476 GODUPPHPBCCVGZ-MRXNPFEDSA-N 295.411 3.669 30 20 CHED C=C[C@H](Sc1nc2cc(Cl)cc(C)c2o1)C(=O)OC 619689601 SCIXOTSAOKOUNS-JTQLQIEISA-N 297.763 3.609 30 20 CHED C=CCCNC(=O)CSc1ccc2c3c(cccc13)CC2 622143195 JWINXTLEUYHQSJ-UHFFFAOYSA-N 297.423 3.723 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@H](C)c1c(C)noc1C 624073666 ULJNOVGYSGNPRF-CYBMUJFWSA-N 298.386 3.610 30 20 CHED C=CCCCC[C@@H](C)NCc1nn(C)c2ccccc12 678623224 CMLAFKIQZNOAPK-CQSZACIVSA-N 271.408 3.798 30 20 CHED C=CCC1(C(=O)NC[C@@H]2CCc3ccccc3C2)CCC1 682902182 DJLOTINWAFMMJP-OAHLLOKOSA-N 283.415 3.654 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)Cc2ccc(F)cc2)c1 728481923 VJDUSSOYADOJRM-CQSZACIVSA-N 295.357 3.649 30 20 CHED C#Cc1cccc(N(C)C(=O)CCc2ccccc2Cl)c1 728482483 RWELFXBUFVUOMO-UHFFFAOYSA-N 297.785 3.917 30 20 CHED C=C(C)COC(=O)[C@@H](C)CSc1ccccc1 732391553 LNRHANVXTOJJDC-LBPRGKRZSA-N 250.363 3.534 30 20 CHED C#CCOc1ccc(CN[C@H](C)CCC(C)C)cc1 733322681 ABLIIOQJJDCMCW-OAHLLOKOSA-N 259.393 3.613 30 20 CHED C[C@H](CC#N)OC(=O)c1ccc2c(c1)-c1ccccc1C2 733707920 CRXIAXKXNVWWAC-GFCCVEGCSA-N 277.323 3.717 30 20 CHED Cc1ccc(C=NNc2cnnc3ccccc23)c(C)c1 733749966 GZACBRCJHRXAGT-UHFFFAOYSA-N 276.343 3.693 30 20 CHED Fc1ccccc1C=NOCc1ccc2c(c1)CCC2 734483103 HTPKIGKAQBTJRW-UHFFFAOYSA-N 269.319 3.865 30 20 CHED C=CCCCN(CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 735491977 MNXRWRQWNOZYNL-HNNXBMFYSA-N 296.455 3.674 30 20 CHED CC(C)[C@@H](Cc1ccccc1)C(=O)Oc1ccc(C#N)cc1 739462977 YXROXRUHBLXEOR-GOSISDBHSA-N 293.366 3.979 30 20 CHED CC[C@@H](/N=C\c1cccc(O)c1O)c1cc(F)ccc1F 740763337 HFBKAJDIQCNEPG-NGMPYOPUSA-N 291.297 3.946 30 20 CHED Cc1cccc2c(CC/N=C/c3ccccc3O)c[nH]c12 741466531 UTZXCEQWTJKTGV-YBFXNURJSA-N 278.355 3.844 30 20 CHED CC#CCOC(=O)C1(c2ccc(F)cc2)CCCCC1 744863770 TWCOEPMDDGREHQ-UHFFFAOYSA-N 274.335 3.594 30 20 CHED COc1ccc([C@H](C)/N=C\c2c(O)cccc2OC)cc1 745624665 MDVONIYWNYJICX-SJWFJVLYSA-N 285.343 3.590 30 20 CHED CC(C)(C)[C@@H]1CCCC(=NNc2ncccn2)CC1 746563583 CTIRZQAFGZUGGM-GFCCVEGCSA-N 260.385 3.871 30 20 CHED CCCCCCCC(=O)Nc1cc([C@@H]2C[C@@H]2C)[nH]n1 747227093 JCJUQJJYFGTXKF-NWDGAFQWSA-N 263.385 3.832 30 20 CHED CC(=NNC(=S)Nc1cccc(C)c1C)C1CCC1 747626317 XBVAFBRGYCTXJA-UHFFFAOYSA-N 275.421 3.766 30 20 CHED Cc1ccc(C)c(OC(=O)c2ccc(C#N)s2)c1C 749307587 AKGOBGIIYAKCSF-UHFFFAOYSA-N 271.341 3.764 30 20 CHED Cc1cc([C@@H](C#N)C(=O)CC2CCCCCC2)nc(C)n1 750684238 OKKMKLWPUMQLRQ-OAHLLOKOSA-N 285.391 3.630 30 20 CHED C=C(C)COc1cccc(NC(=O)C(C)=C(C)C)c1 751376226 IZSBXBPABMQHHO-UHFFFAOYSA-N 259.349 3.936 30 20 CHED Cc1nc(CON=C(c2ccccc2)C(F)(F)F)oc1C 751965034 HJCDXRVYMKLDFC-UHFFFAOYSA-N 298.264 3.775 30 20 CHED CC(CC1CCCC1)=NNc1ccc([N+](=O)[O-])cc1 752712983 HNCAWICUQJOETM-UHFFFAOYSA-N 261.325 3.963 30 20 CHED C[C@H]1CCC(=NNc2cncc(Cl)n2)c2ccccc21 752722913 FRNJTNAWRFATRA-JTQLQIEISA-N 286.766 3.844 30 20 CHED Cn1c(Cl)cnc1/C=C\C(=O)c1ccc(Cl)cc1 752873965 HYGSREUZBOOHCY-SREVYHEPSA-N 281.142 3.623 30 20 CHED CC(C)CC(C)(C)C(=O)OCc1cccc(C#N)c1 753411333 AKBOSHQAYPETHF-UHFFFAOYSA-N 259.349 3.674 30 20 CHED CCCCC1CCC(C(=O)O[C@H](C#N)CC)CC1 753422500 VWLTUTUHUZKPSE-RUXDESIVSA-N 251.370 3.828 30 20 CHED Oc1ccc(C=NOc2ccccc2C(F)(F)F)c(O)c1 754709082 IVYNNTPYMILJPN-UHFFFAOYSA-N 297.232 3.530 30 20 CHED C=CCc1cc(CN2C[C@@H](C)C[C@@H]2CC)c(O)c(OC)c1 754736716 KMLJRGBKCFCGJO-BBRMVZONSA-N 289.419 3.750 30 20 CHED Cn1cc(C=NNc2ccc(F)cc2)c2ccccc21 755471224 FIAHGRIXDHSHFB-UHFFFAOYSA-N 267.307 3.763 30 20 CHED CCC(=NNc1nc(C(F)(F)F)cs1)C(C)C 755905019 REEPWBGSILQCBQ-UHFFFAOYSA-N 265.304 3.996 30 20 CHED C=CCC[C@@H](NCc1ccc(Cl)c(Cl)c1)C(=O)O 756389668 RKVVBMLHYGKVKF-GFCCVEGCSA-N 288.174 3.502 30 20 CHED CCOc1ccccc1C=NOCCCOC(C)(C)C 756849832 TXRWDZAIVPCTDX-UHFFFAOYSA-N 279.380 3.641 30 20 CHED C#CC[C@H](NC(=O)N1CCC[C@H](C)[C@@H]1C)c1ccccc1 757059339 QMADLWSYCZGFES-ZOBUZTSGSA-N 284.403 3.581 30 20 CHED C#CC[C@@H](NC(=O)CC(C)(C)CC)c1ccccc1 757601281 YXDDPRAARDHEDW-OAHLLOKOSA-N 257.377 3.694 30 20 CHED Fc1ccc(/C=C\C=NNc2ccnc(F)c2)c(F)c1 758126670 MUTSSECXWKLIJJ-QHFOAYFMSA-N 277.249 3.610 30 20 CHED C[C@H](OC(=O)C[C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 759472504 IPRXLCMKQMMBBY-IPYPFGDCSA-N 271.360 3.989 30 20 CHED O=C(/C=C\c1cccc(-n2cccn2)c1)c1ccsc1 760266356 TWAYGWKHCCMOFS-WAYWQWQTSA-N 280.352 3.830 30 20 CHED C=CCCC(=O)COC(=O)c1oc2c(C)cccc2c1C 761389866 PJKVVJQURUIAAU-UHFFFAOYSA-N 286.327 3.742 30 20 CHED C(=NNc1ncnc2sccc12)[C@@H]1C[C@H]2CC[C@H]1C2 762418652 RKWRAADTWJLLAV-DCAQKATOSA-N 272.377 3.525 30 20 CHED FC(F)(F)CON=Cc1cccc(OC2CCCC2)c1 764836461 UCMHMIBRABJOEQ-UHFFFAOYSA-N 287.281 3.921 30 20 CHED CC1(C)CCCN(C(=O)CCCc2ccsc2)[C@H]1C#N 765161268 UPRMHMSYCODAOK-AWEZNQCLSA-N 290.432 3.612 30 20 CHED C#CCN(Cc1ccc(F)cc1)C(=O)/C=C/C(=C/C)CC 765312209 ACPSNXAPMKDHRO-BJAFGXCTSA-N 285.362 3.700 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#N)c(C)c1)C2 766490456 JPYNWCCJYDJNJO-RQZCQDPDSA-N 273.335 3.998 30 20 CHED CCC(CC)(CC)C(=O)OCc1ccc(C#N)cc1OC 766907222 ZNFOFSVJZSTVIC-UHFFFAOYSA-N 289.375 3.826 30 20 CHED C#CCC(C)(C)C(=O)Nc1nc2c(C)cc(C)cc2s1 767049597 BQJXZLVLTSJULH-UHFFFAOYSA-N 286.400 3.901 30 20 CHED CC#CCCCC(=O)OCc1ccc(C(F)F)cc1 767674480 WGCZNWAUQZTBSG-UHFFFAOYSA-N 266.287 3.861 30 20 CHED Cc1nc(-c2ccccc2)[nH]c1C(=O)/C=C\c1cncs1 767720616 GOGQQIPPDGWTOB-FPLPWBNLSA-N 295.367 3.738 30 20 CHED CC(C)CN(C/C=C/c1ccc(F)cc1)CCC#N 768154394 SMUXLQFHZAQSGE-HWKANZROSA-N 260.356 3.711 30 20 CHED C#CC[C@H](Nc1ccc(OC(F)F)cn1)c1ccccc1 769913431 QIZUCBFMWRGSNX-AWEZNQCLSA-N 288.297 3.860 30 20 CHED CCc1nn(C)cc1/C=C\C(=O)c1c(C)[nH]c2ccccc12 770570572 HIUBWPBBDQLNCA-KTKRTIGZSA-N 293.370 3.668 30 20 CHED C=CCCOC(=O)C1(Cc2ccc(Cl)cc2)CC1 771170543 ISRCMFXSLPAXNQ-UHFFFAOYSA-N 264.752 3.782 30 20 CHED C#CCOc1ccc([C@@H](C)NC2CCC(F)(F)CC2)cc1 773116632 FIYATYVHMUAWKH-CYBMUJFWSA-N 293.357 3.927 30 20 CHED C#CCCCCC(=O)N[C@@H](CC)Cc1ccc(Cl)cc1 773302588 QMJZGECWHQSLHV-INIZCTEOSA-N 291.822 3.971 30 20 CHED C#CCCCCC(=O)OCc1c(F)cccc1Cl 773640485 MLUFRCZFUXCXKP-UHFFFAOYSA-N 268.715 3.716 30 20 CHED CC(=NOC1CCCC1)c1ccc2c(c1)OCCCO2 774608039 KOPXWLCIBYJXMC-UHFFFAOYSA-N 275.348 3.531 30 20 CHED C=CCN(C(=O)Nc1ccnn1-c1ccccc1C)C(C)C 775369924 SVGLOHANDWDOEY-UHFFFAOYSA-N 298.390 3.609 30 20 CHED CCNc1ccc(C#N)cc1NCc1ccccc1F 776844320 RLZBKFVRJDXTOH-UHFFFAOYSA-N 269.323 3.741 30 20 CHED C=CCC[C@H](Nc1cc(OC)c(OC)cc1F)C1CC1 777291829 YXWRLQFOJUQPCV-ZDUSSCGKSA-N 279.355 4.000 30 20 CHED Fc1ccc(C=NNc2ccc(Cl)cc2Cl)cn1 777427496 YUUCPOFTXYVVAF-UHFFFAOYSA-N 284.121 3.974 30 20 CHED CCC(CC)[C@@H]1C[C@@H](/N=C\c2ccccc2O)CCO1 777872779 CHRGFSKMGBHGLG-LFXZBHHUSA-N 275.392 3.795 30 20 CHED C=CCC[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 779000680 ZEISVSGEXKXHDM-QGZVFWFLSA-N 295.382 3.758 30 20 CHED C#CCCCCCC(=O)N[C@H](CC)c1ccc(OC)cc1 779745491 BSOBDTSEBUIQLE-QGZVFWFLSA-N 287.403 3.846 30 20 CHED CCCCCCCCC(=O)N[C@H](C)[C@@H]1CCCOC1 780118475 PCVXHLSCVMBONM-HUUCEWRRSA-N 269.429 3.668 30 20 CHED Cc1cc(F)ccc1NN=Cc1ccc([N+](=O)[O-])s1 782227369 KTZZAGRUTPHKTN-UHFFFAOYSA-N 279.296 3.550 30 20 CHED C=C[C@](C)(CCOC)C(=O)OCc1ccc(Cl)s1 782444076 UNPORSXUHLQKPL-CYBMUJFWSA-N 288.796 3.674 30 20 CHED Cc1cc(COC(=O)c2ccc3cc[nH]c3c2)ccc1C#N 782861365 UYIHFYAPMJSGLM-UHFFFAOYSA-N 290.322 3.705 30 20 CHED C[C@@H](N[C@H](C)c1ccccc1O)c1cccc(C#N)c1 783516269 GJYFKLDQFAWNRL-CHWSQXEVSA-N 266.344 3.676 30 20 CHED C[C@@]1(C#N)CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 784748346 WCJJJYFNABZKST-SBSDFTTDSA-N 288.778 3.505 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc2c(c1)OC(=O)C[C@@H]2C 785365265 KXRMTKCWOKPHRE-GTNSWQLSSA-N 288.343 3.607 30 20 CHED CCCCS[C@@H](C)C(=O)O[C@H](C#N)C1CCCCC1 785755145 SLTRGDRTVJGFFY-GXTWGEPZSA-N 283.437 3.924 30 20 CHED C=CCN(C(=O)N[C@@H]1CCC[C@@H](C)CC1)C(C)C 785946128 DPKGRIMUJDPVML-ZIAGYGMSSA-N 252.402 3.561 30 20 CHED C=C[C@@](C)(CC)C(=O)O[C@H](C)c1ccc(Cl)cn1 786643832 JXVWGRLQXPNLOL-YGRLFVJLSA-N 267.756 3.942 30 20 CHED C#CCC1(C(=O)N2CCCC[C@H](C)C2)CCCCC1 788251746 XYLOXDQDIFYJGV-HNNXBMFYSA-N 261.409 3.609 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NO[C@H]1CCCCO1 788721439 GHBRAEMJPPMBKM-INIZCTEOSA-N 289.375 3.624 30 20 CHED C[C@H]1CCC(=NNCCc2ccncc2)c2ccccc21 789098441 YYNWQPYIZIKKJB-AWEZNQCLSA-N 279.387 3.515 30 20 CHED COC1(C=NNc2ccc(Cl)cc2)CCCC1 790136585 MYVIMINDQYRCEQ-UHFFFAOYSA-N 252.745 3.697 30 20 CHED Clc1sccc1C=NNc1cnnc2ccccc12 790164706 VSKXKHIGEQHQQV-UHFFFAOYSA-N 288.763 3.791 30 20 CHED CC[C@H](C)NN=C(C)c1ccc(-c2ccncc2)cc1 790180910 BMRZGBPKUAUKCO-ZDUSSCGKSA-N 267.376 3.861 30 20 CHED C=CCCC[C@H](C)NC(=S)Nc1ccsc1 790324290 FRYMHSVMTMOCCI-JTQLQIEISA-N 254.424 3.779 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)cc1 792924540 DGUNIHHREJTCOP-MDWZMJQESA-N 293.366 3.593 30 20 CHED CC[C@@H](C)CON=Cc1c[nH]c2ccc(OC)cc12 793146257 PGUBHKVBAWLFQV-LLVKDONJSA-N 260.337 3.573 30 20 CHED CC(=NNc1cccc(Cl)n1)c1ccc(O)c(Cl)c1 793175739 VSTDUJDJENECNB-UHFFFAOYSA-N 296.157 3.930 30 20 CHED C=CCCCCC[C@H](C)N[C@@H]1Cc2cccc(O)c2C1 793588325 IWURYHLTCMUVLK-GOEBONIOSA-N 273.420 3.974 30 20 CHED CCc1cccc2c1OC/C(=C/c1ccc(C#N)s1)C2=O 794728293 OEOZNDCIZXPEJQ-WQLSENKSSA-N 295.363 3.841 30 20 CHED Fc1ccc(/C=C\C=NNc2nc3ccccc3[nH]2)cc1F 794860723 XGSCIFFHWRAMBN-TWUMCCCFSA-N 298.296 3.952 30 20 CHED CC(C)n1nccc1/C=C1\Cc2c(Cl)cccc2C1=O 794936558 YDIHMXOZGIKNMA-DHZHZOJOSA-N 286.762 3.940 30 20 CHED C=CCCC(CC)=NNCc1ccccc1N(C)C 794956307 HANPFCCCNMCRNM-UHFFFAOYSA-N 259.397 3.574 30 20 CHED COCCN(C)N=Cc1c2ccccc2cc2ccccc12 794968961 DMHDMLHMOMTBQK-UHFFFAOYSA-N 292.382 3.905 30 20 CHED C#CCCN[C@@H]1c2cccc(Br)c2CC1(C)C 795123694 OTGWETWNAALTIF-CQSZACIVSA-N 292.220 3.685 30 20 CHED C#Cc1cccc(N(CC)C(=O)CCCOC(C)(C)C)c1 796127246 NNFZVZPDZADWDK-UHFFFAOYSA-N 287.403 3.616 30 20 CHED CCC[C@@](C)(CC)C(=O)OCc1ccccc1C#N 796323255 HOXHFEMISIJRCK-MRXNPFEDSA-N 259.349 3.818 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)c1cccc(C#N)c1 796327189 SKGVSQNTOLFIPF-ZBFHGGJFSA-N 299.370 3.501 30 20 CHED C=CCC(C)(C)C(=O)OCc1cc(C)ccc1OC 796474032 OMHIKXVWLZNEJI-UHFFFAOYSA-N 262.349 3.649 30 20 CHED CCCCCCCCOC(=O)c1occ2c1CCOC2 796840467 YLLPYQTZQGJCDZ-UHFFFAOYSA-N 280.364 3.870 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NOC2CCOCC2)C1 799113832 WIAOSEYVAMQXLG-CQSZACIVSA-N 288.391 3.599 30 20 CHED CC(C)CC[C@H](C)NC(=O)/C=C\c1ccccc1C#N 799604749 QXNQADORCWTOTO-BMSUMIBZSA-N 270.376 3.512 30 20 CHED C[C@H]1CC/C(=C/C(=O)NCc2ccc(C#N)c(Cl)c2)C1 801070435 INXVKGGBXSKYFW-LCFDYFRESA-N 288.778 3.574 30 20 CHED Cc1ccc([C@@H]2[C@@H](C)CCCN2CCO[C@H](C)C#N)cc1 801922655 MUOCNVDWNGJLKA-JZXOWHBKSA-N 286.419 3.697 30 20 CHED C=CCCCCCCCCNC(=O)N[C@H]1CCO[C@@H](C)C1 805252299 ZUBIIMZFGYYNRK-HOTGVXAUSA-N 296.455 3.770 30 20 CHED CC(C)[C@H](C#N)OC(=O)[C@@H](C)Cc1cncc2ccccc12 805873606 MPRACPPUFBPNGJ-GUYCJALGSA-N 296.370 3.505 30 20 CHED CC(C)Oc1ccc(OC(=O)CCCCCC#N)cc1 805884033 DUDDSEAAPUKIEI-UHFFFAOYSA-N 275.348 3.853 30 20 CHED O=C1/C(=C\c2ccccc2F)C[C@H](C(=O)O)c2ccccc21 806559843 FWRMELUQZAUBEY-LMRWQKIVSA-N 296.297 3.664 30 20 CHED C[C@@H]1CCC[C@@H](OC(=O)c2cc(C#N)ccc2Cl)C1 807930450 JBPPISYPPZQKSU-ZYHUDNBSSA-N 277.751 3.947 30 20 CHED C[C@@H]1CCC[C@@H](C=NNc2nccnc2C2CCC2)C1 807991789 SUYZYIWDUDTMIU-CHWSQXEVSA-N 272.396 3.968 30 20 CHED CC(C)(C#N)Cc1nc(Cc2cccc(F)c2Cl)no1 809413162 NWLRAWKYHMJBNZ-UHFFFAOYSA-N 293.729 3.545 30 20 CHED C#Cc1ccc(CNC[C@@H](C)c2ccc(F)cc2)cc1 809615653 ANSDKFHSSORQCT-CQSZACIVSA-N 267.347 3.700 30 20 CHED C#CCC1(OC(=O)/C=C/c2ccc3[nH]ccc3c2)CCC1 810750707 OLMDHBQSFSNUDK-FNORWQNLSA-N 279.339 3.670 30 20 CHED C=CCCCCOC(=O)Cc1ccc(OCC)cc1 811012968 FBASLCHTYIADHT-UHFFFAOYSA-N 262.349 3.527 30 20 CHED C=CCCCCCCCNC(=O)c1oc(C)nc1C 811589698 CLJUAJONDFATRA-UHFFFAOYSA-N 264.369 3.548 30 20 CHED C=CCCCCCCCNC(=O)N[C@@H](C)c1cccnc1 811993470 MHINQYRRYAEBMO-HNNXBMFYSA-N 289.423 3.968 30 20 CHED Cc1nc2ccccc2c(=O)n1N=CCC1CCCCC1 814700948 JLWTUXYBFKWCBK-UHFFFAOYSA-N 283.375 3.509 30 20 CHED Cc1ccc(C)c(NN=Cc2ncc(Cl)s2)c1 814752951 AYWDVCBVINPONX-UHFFFAOYSA-N 265.769 3.859 30 20 CHED CCON=Cc1c(Cl)nc(Cl)n1-c1ccccc1 814788497 XUDSBWCOTRZSSR-UHFFFAOYSA-N 284.146 3.550 30 20 CHED CC(=NNc1ccc(C(C)(C)C)cc1)c1cc[nH]n1 814900824 JLIMZGFQPDQGRS-UHFFFAOYSA-N 256.353 3.543 30 20 CHED CC(C)[C@H]1CC(=NNc2cccc(F)c2[N+](=O)[O-])CS1 814919641 WIACUOINIWRBGO-GFCCVEGCSA-N 297.355 3.663 30 20 CHED Fc1cccnc1NN=C1CC(c2ccccc2)C1 814927200 BGWUNOFJNRXWCU-UHFFFAOYSA-N 255.296 3.566 30 20 CHED C=CCC(F)(F)C(=O)OCc1cccc(SC)c1 816059791 QMPNIEHKJGHKCX-UHFFFAOYSA-N 272.316 3.663 30 20 CHED C=C[C@@H](CC(=O)OCc1occc1C)c1ccccc1 816102884 BSRSHEQRBVEDMK-AWEZNQCLSA-N 270.328 3.991 30 20 CHED Cc1cc(Cl)cc(C#N)c1OC(=O)OC(C)(C)C 817155427 KKSBHZNRRHJGKR-UHFFFAOYSA-N 267.712 3.834 30 20 CHED C=C(C)C(C)(C)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 819524743 XAYIFTBBSSZTQU-AWEZNQCLSA-N 277.795 3.526 30 20 CHED CCCOc1ccc(C(C)=NN[C@H](C)c2ccncc2)cc1 819816165 YJRNYIACGLJCFI-OAHLLOKOSA-N 297.402 3.945 30 20 CHED COCCC1(C=NN[C@H](C)c2ccncc2)CCCCC1 819816668 MUMJFHNYWIPKDA-OAHLLOKOSA-N 289.423 3.705 30 20 CHED COc1cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)on1 821022415 QYSQZQRVMMHFRN-HWKANZROSA-N 298.125 3.886 30 20 CHED CCCCN(Cc1ccccc1F)C(=O)C#CC(C)C 821203215 ZOQRKXRKPAXWRW-UHFFFAOYSA-N 275.367 3.614 30 20 CHED C=CCC1(C(=O)Nc2cccc(OCC#N)c2)CCCC1 825241280 ZKRSJIFUSMOHFK-UHFFFAOYSA-N 284.359 3.664 30 20 CHED C[C@]1(CSc2ccc(C#N)cn2)CC1(Cl)Cl 829006114 MFLBWJHTOHFOKF-SNVBAGLBSA-N 273.188 3.629 30 20 CHED C[C@@H]1CC[C@@H](C)C(=NNc2ncnc3sccc23)C1 834936136 SPVRJPBOWMXLIL-NXEZZACHSA-N 274.393 3.915 30 20 CHED C[C@@H](NN=C/C=C\c1ccc(F)cc1F)C(F)(F)F 834998603 VZKJQXARFFRXLL-YGCDBKRBSA-N 278.224 3.504 30 20 CHED C#CCNN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 835008414 FLUBSGVQCFXPOX-LBPRGKRZSA-N 280.293 3.552 30 20 CHED C=CC(C)(C)C(=O)OCc1ncc(C(C)C)s1 835294654 KLLRMHCHHTUTFV-UHFFFAOYSA-N 253.367 3.522 30 20 CHED CCc1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)s1 839053338 DCGAAOGASCHFTD-GHMZBOCLSA-N 263.362 3.550 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2sccc2Cl)C1 839062802 NVHHRXWYKZAYAI-IUCAKERBSA-N 269.753 3.641 30 20 CHED C=C(C)CNC(=S)N[C@@H](C)c1cccc(C2CC2)c1 840768418 YLBCMLNMVKAIJV-LBPRGKRZSA-N 274.433 3.665 30 20 CHED C[C@H](O)CN(C)N=C(CC(C)(C)C)c1ccc(Cl)cc1 841650613 GURSCMOHVYBBDT-LBPRGKRZSA-N 296.842 3.793 30 20 CHED C=C(C)CONC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 845596189 QQLLKCQHNWWVET-CQSZACIVSA-N 288.391 3.504 30 20 CHED C=CCCCCCCNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 847049738 RCPGHVQRRXQTPC-INIZCTEOSA-N 298.430 3.990 30 20 CHED C[C@H](C#N)OCCOc1cccc(C(C)(C)C)c1Cl 849970626 BURHMBSTWMRRGC-LLVKDONJSA-N 281.783 3.945 30 20 CHED C[C@@H](CSC(C)(C)C)NCCc1ccc(C#N)cc1 850487610 IHRCOZAIQPUNEC-ZDUSSCGKSA-N 276.449 3.611 30 20 CHED CCCn1nccc1/C=C1/CCc2ccc(OC)cc2C1=O 853005392 ICBASMKBUBEEFU-KAMYIIQDSA-N 296.370 3.514 30 20 CHED C#Cc1cccnc1N[C@H](C)c1ccc(OC)c(OC)c1C 853631307 VDXXJJZSHKZLLK-CYBMUJFWSA-N 296.370 3.562 30 20 CHED Cc1nc(C)c(CON=Cc2ccc(C(C)C)cc2)o1 853644564 RCXBCEYMBJTKTL-UHFFFAOYSA-N 272.348 3.966 30 20 CHED Clc1ccc2cccnc2c1CON=CC1CC1 853735316 QVAFCSAMVSJHDT-UHFFFAOYSA-N 260.724 3.801 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cccc(N2CCCCC2)c1 858729795 VXTOXMJMUIVDTQ-UHFFFAOYSA-N 299.418 3.945 30 20 CHED C[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc(C#N)cc1 860441345 NQTPCPZNQAZWAQ-KCPJHIHWSA-N 281.311 3.559 30 20 CHED CCC(C#N)(CC)C(=O)O[C@H]1CCOc2c(C)cccc21 860697251 QWSMOLYFFBXKCW-AWEZNQCLSA-N 287.359 3.692 30 20 CHED C#C[C@@H](OC(=O)c1coc(C2CCC2)n1)c1ccc(C)cc1 860961200 ADIBSUOAUIPWRQ-MRXNPFEDSA-N 295.338 3.782 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccco1 863926343 WGWZVCDTDYNSSU-BRWVUGGUSA-N 295.382 3.687 30 20 CHED CN(C)c1cc(F)c(CNc2ccc(C#N)cc2)cc1F 863988474 RCRLHTIQTUSPJC-UHFFFAOYSA-N 287.313 3.515 30 20 CHED COCc1cc(N[C@H](C)c2ccc(C#N)cc2)ccc1OC 866499997 RWELMTSDORHTMT-CYBMUJFWSA-N 296.370 3.886 30 20 CHED C=CCCCCCCCNC(=O)c1cnn(C(F)F)c1 868413517 LKUXWMXPOMFLLG-UHFFFAOYSA-N 285.338 3.535 30 20 CHED N#C[C@H](OC(=O)/C=C\c1ccccc1C(F)(F)F)C1CC1 870221387 NDZSTWYTBARWGW-WSROAFLRSA-N 295.260 3.564 30 20 CHED CC1(C(=O)OCC#Cc2ccc(Cl)cc2)CC(F)(F)C1 873441334 QYWLWMRBSHEAKA-UHFFFAOYSA-N 298.716 3.670 30 20 CHED CC(C)(C)CCC(=O)Nc1cc(C#N)c(F)cc1F 876345255 CIQLXGVOXDUWKG-UHFFFAOYSA-N 266.291 3.601 30 20 CHED COc1ccc(NC[C@H](C)CCC#N)c2cccnc12 877160687 TUCJDEWGNNMDBB-GFCCVEGCSA-N 269.348 3.595 30 20 CHED C=C(C)CN(C)c1ccc([S@@](=N)(=O)C(F)(F)F)cc1 882166041 JEGGGOAVXQTQRY-LJQANCHMSA-N 292.326 3.624 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)Cc1cccc(C#N)c1 890613118 VUDNFIIKMHFFBR-GOSISDBHSA-N 290.366 3.594 30 20 CHED C=C1CCC(C(=O)Nc2cncc(Cl)c2C)CC1 891251256 UROLCUONAJKJNH-UHFFFAOYSA-N 264.756 3.728 30 20 CHED N#Cc1cnc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 896484162 AJYQFLFPZFQREM-IJLUTSLNSA-N 289.404 3.560 30 20 CHED C#Cc1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1 900340458 QSVIVKMQTKQATK-UHFFFAOYSA-N 267.372 3.605 30 20 CHED C=CCC[C@@H](CC)N[C@@H](CCC(=O)O)c1ccccc1 901651834 PWKOHOZWQCEOAJ-CVEARBPZSA-N 275.392 3.927 30 20 CHED CC[C@@H](NCc1scnc1C)c1cccc(C#N)c1 902794839 YSAYCWHRUJMNRJ-CQSZACIVSA-N 271.389 3.564 30 20 CHED N#Cc1sccc1C(=O)Nc1nc(C2CCC2)cs1 907771550 IHEDGCNDPAZMIY-UHFFFAOYSA-N 289.385 3.596 30 20 CHED Cc1cc(Cl)nc(C(=O)OCCCC(C)(C)C#N)c1 909688988 GVGVFIBLEAHIJK-UHFFFAOYSA-N 280.755 3.530 30 20 CHED C=CCSc1nc2ccccc2n1CN(CC)C1CC1 912854128 BJKICRPTEJEBQN-UHFFFAOYSA-N 287.432 3.756 30 20 CHED C=CCOc1ccccc1C(=O)Oc1ccccc1F 913962455 XNRUXNIOPLXABN-UHFFFAOYSA-N 272.275 3.610 30 20 CHED CCOc1ccc(O)c(/C=N/Cc2ccccc2COC)c1 914557510 HQKMKBMZWUBSPE-XDHOZWIPSA-N 299.370 3.556 30 20 CHED CCC/C(C)=C\C(=O)Nc1ccc(C#N)c(Cl)c1 920214750 MXVKUDZIJVWXAB-YFHOEESVSA-N 262.740 3.897 30 20 CHED Cc1ccc(N=Cc2cccc(O)c2O)c(Cl)c1 920946050 PQLOIQKYQWHJQI-UHFFFAOYSA-N 261.708 3.810 30 20 CHED CC[C@@H](CNCc1ccc(OCC#N)cc1)c1ccccc1 920957277 XHGSKNRBGMUBHB-KRWDZBQOSA-N 294.398 3.872 30 20 CHED CCOc1ccc(N[C@H](C)CC(C)(C)C#N)cc1OC 926006027 JCNIKWUQHMTTQD-GFCCVEGCSA-N 276.380 3.834 30 20 CHED C[C@@H](C#N)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 928583699 BXHROTFDUYFWQZ-QWRGUYRKSA-N 256.349 3.570 30 20 CHED C#Cc1ccc(NC(=O)N[C@H](CC)c2nc(C)cs2)cc1 934934996 ZREZWYWGNDPHGX-CQSZACIVSA-N 299.399 3.706 30 20 CHED CCCc1ccc(CON=C(N)c2cccs2)cc1 1115895545 ZDKNZAJZEVKTBY-UHFFFAOYSA-N 274.389 3.538 30 20 CHED CC(C)N(CCCSCC#N)CCc1ccccc1 1116175288 BNWKERINAKMMMP-UHFFFAOYSA-N 276.449 3.586 30 20 CHED CSc1ccccc1CN(C)c1cccc(CC#N)n1 1116890656 HINPPZSFSBELHX-UHFFFAOYSA-N 283.400 3.506 30 20 CHED Cc1cc(OCc2ccccc2C(C)(C)C#N)ccn1 1116907832 VJUIRTHJGCMKNM-UHFFFAOYSA-N 266.344 3.770 30 20 CHED CC[C@H](C#N)NC(=O)c1ccc2c(c1)oc1ccccc12 1117501812 DIKQEWQRTHMFSV-GFCCVEGCSA-N 278.311 3.618 30 20 CHED Cc1ccc(NN=C2CC[C@H](CC(=O)O)[C@H]2C)cc1Cl 1117740049 YETKMQDBVINLQT-GHMZBOCLSA-N 294.782 3.937 30 20 CHED C[C@@H](CC#Cc1cccnc1)OC(=O)C[C@H]1C=CCCC1 1123062526 SHQSHJGMHGPIFN-HOTGVXAUSA-N 283.371 3.501 30 20 CHED Cc1cccc(COc2nc3c(cc2C#N)CCCCC3)n1 1189968699 XHVOUKCJHYTGAO-UHFFFAOYSA-N 293.370 3.505 30 20 CHED COc1cccc([C@@H](C)Sc2cc(C#N)nc(C)n2)c1 1306996651 WDLDCHPAZDRNRJ-SNVBAGLBSA-N 285.372 3.519 30 20 CHED N#Cc1nc(NC[C@H]2CCC[C@@H]2C2CC2)sc1Cl 1307142785 UGUJUNFCNGWDPP-NXEZZACHSA-N 281.812 3.906 30 20 CHED COc1cc(O)ccc1C=NNc1cccc(Cl)c1 1318298839 STARBSMUBDIRCI-UHFFFAOYSA-N 276.723 3.500 30 20 CHED Cc1ccccc1C(C)(C)CNc1cccc(CC#N)n1 1320359387 GDZQTCPGJIYGJE-UHFFFAOYSA-N 279.387 3.846 30 20 CHED Cn1ccc(NN=C2CCC[C@@H]2c2ccccc2Cl)n1 1320696840 RLQXKDOTULEUPS-GFCCVEGCSA-N 288.782 3.809 30 20 CHED C=CC(C)(C)CNC(=O)c1nc(-c2cccs2)oc1C 1324582649 QDROOBHBLYQGNW-UHFFFAOYSA-N 290.388 3.654 30 20 CHED N#Cc1ccc(COC(=O)CC2=CCCCC2)s1 1326839410 QMNKEKSHEDBHLD-UHFFFAOYSA-N 261.346 3.553 30 20 CHED Cc1oc(C#N)cc1C(=O)OCc1ccccc1C1CC1 1326886377 OHTRZVAVJGMBMP-UHFFFAOYSA-N 281.311 3.694 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccn(C2CCCCC2)n1 1330458878 JTCWDAFLZFFKQJ-UHFFFAOYSA-N 288.395 3.657 30 20 CHED N#CC1(CSc2nc3cccc(F)c3s2)CC1 1333570246 BQZAVNOMXSZPCT-UHFFFAOYSA-N 264.350 3.831 30 20 CHED Cc1ncc(C(=O)N(c2cccc(C#N)c2)C2CCC2)s1 1333647894 MYGUULHPJDZQJX-UHFFFAOYSA-N 297.383 3.523 30 20 CHED C#CC[C@@H](C)OC(=O)c1cc(C2CC2)nc2ccc(C)cc12 1344587064 NORDPZJIUWUTDO-CYBMUJFWSA-N 293.366 3.989 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1C(=O)O[C@H](CC#N)c1ccco1 1344935376 FIOMIHVZLWYBGS-OUCADQQQSA-N 275.348 3.850 30 20 CHED C[C@@H]1CCCC[C@@H]1C(=O)O[C@@H](CC#N)c1ccco1 1344937883 STGSCBBLBBBFHP-DYEKYZERSA-N 261.321 3.604 30 20 CHED C=C(CC)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 1348630257 MAIDZORANYVJNZ-UHFFFAOYSA-N 293.235 3.566 30 20 CHED C[C@H]1C[C@H](C)CC[C@H]1OC(=O)c1cc(C#N)ccc1F 1435231743 HKKXFXGGOGIGLE-JRPNMDOOSA-N 275.323 3.679 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(C)c(C#N)c2)c1 1456140611 WOVFVVVAFWBTLR-HNNXBMFYSA-N 292.382 3.975 30 20 CHED CCC[C@H](NC(=O)c1ccc(F)c(C#N)c1)C1CCCC1 1460819391 SOJAVMRZXYDANF-INIZCTEOSA-N 288.366 3.786 30 20 CHED CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1462286718 ZCZBKFZWIJHKNR-CMPLNLGQSA-N 292.329 3.991 30 20 CHED N#Cc1cncc(Oc2cc(C(F)(F)F)ccc2Cl)n1 1472639360 SPYVKXXJUFXRRW-UHFFFAOYSA-N 299.639 3.813 30 20 CHED COc1cc(C#N)ccc1CSc1ncc(C)cc1C 1473060070 RGUQSNGYFZFYSC-UHFFFAOYSA-N 284.384 3.871 30 20 CHED C[C@@H](NCc1cc(O)ccc1Cl)c1cccc(C#N)c1 1473786901 RKHRTBQIAPXRSF-LLVKDONJSA-N 286.762 3.768 30 20 CHED Cc1cscc1CNC(=O)Nc1scc(C)c1C#N 1476559076 OSJAIUDYYWTCIN-UHFFFAOYSA-N 291.401 3.620 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)cc1Cl)c1ccco1 1517070515 AXEBQJJGRWDNCW-JTQLQIEISA-N 288.734 3.937 30 20 CHED CCCC1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCC1 1518898814 OHKPRWIOJSKDAD-UHFFFAOYSA-N 290.794 3.912 30 20 CHED C=C[C@H](C(=O)N1CC=C(C(F)(F)F)CC1)c1ccccc1 1519831669 ARHLKRKUQWHGBO-AWEZNQCLSA-N 295.304 3.677 30 20 CHED C=CCCC(=O)O[C@@H](c1cccs1)[C@H](C#N)CC 1525978635 SFTNDCNOKPTFCE-SMDDNHRTSA-N 263.362 3.848 30 20 CHED CC1(C)CCC(CC(=O)NCCc2ccc(C#N)cc2)CC1 1531929077 UKTSEVAAXMEWNR-UHFFFAOYSA-N 298.430 3.823 30 20 CHED N#Cc1ccc(C(=O)Nc2ccc(C3CC3)cc2)c(F)c1 1537264797 ZSFPSFLJRLMYAC-UHFFFAOYSA-N 280.302 3.827 30 20 CHED CNc1cc(Cl)ccc1C(=O)Nc1ccc(CC#N)cc1 1540417224 CRZXIFAYCOIBIT-UHFFFAOYSA-N 299.761 3.700 30 20 CHED CC(C)CC[C@H](C)Nc1nc(C#N)c(Cl)s1 1559083389 FHFMVGWQQOSXMO-QMMMGPOBSA-N 257.790 3.905 30 20 CHED Cc1nc(C#N)cc(N[C@@H](c2ccc(F)c(C)c2)C2CC2)n1 1559143821 NRADBLQUPFAACK-QGZVFWFLSA-N 296.349 3.667 30 20 CHED CC[C@@H](c1ccccc1)N1CCN(CCC(C)(C)C#N)CC1 1559567103 VQONIQDQZDKMOM-SFHVURJKSA-N 299.462 3.695 30 20 CHED C=CC[C@H](Sc1ccc2c(c1)CCCC2)C(=O)O 1573352750 JESWSDGFCKWGEE-AWEZNQCLSA-N 262.374 3.687 30 20 CHED C=C(C)[C@H](N[C@@H](CC(C)C)C(=O)O)c1ccc(F)c(F)c1 1588534761 IRVFKZZKWLMELP-GJZGRUSLSA-N 297.345 3.671 30 20 CHED C=CCC[C@H](C)Nc1ccc(C[C@@H](C)C(=O)O)cc1 1588777567 DKMKSBYIJSRXJL-OLZOCXBDSA-N 261.365 3.716 30 20 CHED N#Cc1cc(NC(=O)c2sccc2Cl)c(F)cc1F 1597373352 KQLBLXIJNGHIDH-UHFFFAOYSA-N 298.701 3.804 30 20 CHED N#Cc1ccc(/C=C\c2nc(Cl)c(C(=O)O)s2)s1 1601097721 DFHLELHFUQRROV-ARJAWSKDSA-N 296.760 3.598 30 20 CHED C=CCN(Cc1cccs1)[C@H](C(=O)O)c1ccsc1 1609373872 SYDJFIDAPRIKBI-ZDUSSCGKSA-N 293.413 3.624 30 20 CHED CC(C)(C)[C@H]1CCCC[C@H]1CNc1cc(C#N)cnn1 1611905893 RNDZAJZJJXQGSN-KBPBESRZSA-N 272.396 3.613 30 20 CHED CO[C@H](CSc1cccc(C#N)c1)Cc1ccccc1 1640957252 LBSSDWZSSCIMLQ-INIZCTEOSA-N 283.396 3.908 30 20 CHED N#Cc1cnnc(Sc2c(Cl)cccc2Cl)c1 1641954070 GQERXAFDZSVKHS-UHFFFAOYSA-N 282.155 3.806 30 20 CHED CC(C)(C)C[C@H]1CCN(c2c(C#N)cccc2C#N)C1 1651153872 PKIIDCPSCNXQNL-CYBMUJFWSA-N 267.376 3.692 30 20 CHED N#Cc1c(F)cccc1Sc1nc2ncccc2s1 1651318267 RXUXTDACMRQBAR-UHFFFAOYSA-N 287.344 3.853 30 20 CHED N#Cc1ccnc(CN2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)c1 1652419613 AAIFOIHZVOLFGV-ITQYTPKQSA-N 295.430 3.744 30 20 CHED CC[C@H](NCc1ccc(C#N)cc1C)[C@@H]1CC1(C)C 1654774705 IANJXMOJLMKUMH-HOTGVXAUSA-N 256.393 3.781 30 20 CHED C=C(Br)CNc1nc2ccc(F)cc2s1 1655055970 WZMKZBAUJHNKFQ-UHFFFAOYSA-N 287.157 3.756 30 20 CHED Cc1[nH]nc(NCc2cc(Cl)cc(Cl)c2)c1C#N 1657495978 ABQHSBJIPMDUEF-UHFFFAOYSA-N 281.146 3.509 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N(C)CCCC 1705753244 VFMYNNZXWWSKEV-UHFFFAOYSA-N 282.819 3.534 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1CC[C@H]2CCC[C@H]21 1760366200 SQXGRIDJOAPSJN-CHWSQXEVSA-N 294.830 3.533 30 20 CHED CC(Cc1cccc(C)c1)=NNc1ccccc1C(=O)O 1776031312 ZTFTXXQASVGCOW-UHFFFAOYSA-N 282.343 3.724 30 20 CHED Cc1c(NN=C2CCC[C@@H]2C(C)C)cccc1C(=O)O 1776087545 IRFKMQLFQGHADP-GFCCVEGCSA-N 274.364 3.917 30 20 CHED O=C(O)c1cc(/C=C\C(=O)c2ccccc2F)ccc1F 1776131140 IQUZLVVPFGITMR-VURMDHGXSA-N 288.249 3.559 30 20 CHED Cc1cccc2c1C(=O)/C(=C/c1csc(C(=O)O)c1)C2 1777455638 HUDUWWXLTGWIAS-LFYBBSHMSA-N 284.336 3.577 30 20 CHED Cc1ccc(OCc2ccc(C#N)cc2F)cc1C 19804881 VAEZKDPXNSUHLK-UHFFFAOYSA-N 255.292 3.893 30 20 CHED Cc1ccsc1/C=C1\S/C(=N\C2CCCC2)NC1=O 21313818 HAYOUHHDXNIZAX-WQLSENKSSA-N 292.429 3.559 30 20 CHED N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1c1ccccc1 22137296 QGQWOUZHBPGSMD-MRXNPFEDSA-N 293.326 3.808 30 20 CHED CC[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 26127429 NPJQYYYJXSXCGJ-KBXCAEBGSA-N 292.382 3.929 30 20 CHED CCOc1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1 27340178 CVGGGFZJLAZWEL-KPKJPENVSA-N 292.338 3.609 30 20 CHED CC[C@@H](C)CN(C)c1c(C#N)cnc2ccccc12 36913323 IBAUCPNBJCHAPN-GFCCVEGCSA-N 253.349 3.589 30 20 CHED N#CC1(C(=O)Nc2ccc(F)c(F)c2F)CCCCC1 44385253 JQBNMIRYNBNMNG-UHFFFAOYSA-N 282.265 3.516 30 20 CHED CCc1ccc(CNc2snc(Cl)c2C#N)s1 48560012 VNZZVOUALODEKX-UHFFFAOYSA-N 283.809 3.904 30 20 CHED N#Cc1ccsc1C(=O)Nc1cccc2c1CCCC2 52027982 JXKLHYHBCPSYBO-UHFFFAOYSA-N 282.368 3.751 30 20 CHED C[C@H](OC(=O)c1sccc1C#N)c1cccc(F)c1 52222949 RIZMLBSYAGLYRV-VIFPVBQESA-N 275.304 3.677 30 20 CHED Cc1ccccc1CCNC(=O)Nc1cc(C#N)ccc1C 58453534 GUPOPGSFFNQWRW-UHFFFAOYSA-N 293.370 3.539 30 20 CHED CCN(Cc1cccc(C#N)c1)Cc1c(F)cccc1F 59409784 CUGQYLJJSLBVGE-UHFFFAOYSA-N 286.325 3.859 30 20 CHED Cc1ccc(CNc2ccc(Cl)cc2C#N)cn1 62054843 OKEDRIBMUVKYOO-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C#CCN(C(=O)CSc1ccccc1)C1CCCCC1 65777541 XGBZSNRTEGIAML-UHFFFAOYSA-N 287.428 3.573 30 20 CHED CN(C(=O)c1ccc(SC(F)F)cc1)C1(C#N)CCC1 66322535 RKMICMBKQLZDCW-UHFFFAOYSA-N 296.342 3.520 30 20 CHED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCC1 66802383 RTSBFHYIDKLSBT-LLVKDONJSA-N 274.389 3.819 30 20 CHED CCc1ccc([C@@H](C)C(=O)NCC#Cc2ccccc2)cc1 68097565 XXVBNTFBITVEDP-MRXNPFEDSA-N 291.394 3.520 30 20 CHED CC[C@@H](Nc1ncccc1C#N)c1cc(F)ccc1F 77232998 HHKKSGFHTNMOKF-CQSZACIVSA-N 273.286 3.795 30 20 CHED CCc1ccc(-c2ccc(C(=O)N(C)[C@@H](C)CC#N)o2)cc1 80027921 BAFPFSVLYTXUSU-ZDUSSCGKSA-N 296.370 3.883 30 20 CHED CC(C)N(C(=O)c1cc(C#N)cs1)c1ccccc1 84084706 QAKBSHXGOURRTE-UHFFFAOYSA-N 270.357 3.675 30 20 CHED COc1ccc(CNc2cccc(C#N)c2)c(Cl)c1 84490695 HRGRGHPERCOLDS-UHFFFAOYSA-N 272.735 3.832 30 20 CHED C[C@@H](CC#N)N(C)C(=O)[C@H](C)c1ccc2ccccc2c1 84599163 KVPHQVLGYDVBHJ-UONOGXRCSA-N 280.371 3.704 30 20 CHED C[C@H](CC#N)N(C)C(=O)Nc1ccccc1SC(F)F 86281113 MEKHLKVIECVROE-SECBINFHSA-N 299.346 3.767 30 20 CHED C[C@@H](Oc1ccc(C#N)cc1)c1ncc(C(C)(C)C)o1 89124134 KFRYPRFBYDWHGG-LLVKDONJSA-N 270.332 3.984 30 20 CHED C=C(C)COCCN[C@H](CC)c1cc(C)ccc1OC 90451006 RTUTUBMPIOLBDB-MRXNPFEDSA-N 277.408 3.637 30 20 CHED C=C(C)COCCN[C@@H](C)c1ccc(SC)c(OC)c1 90451325 UELYNABUXCCECP-ZDUSSCGKSA-N 295.448 3.660 30 20 CHED N#Cc1ccc2nc(NCc3ccc(Cl)nc3)ccc2c1 92891361 QWICGVZKUJXPTH-UHFFFAOYSA-N 294.745 3.767 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1 98054283 ONFFDTIDJCEVTE-WDZFZDKYSA-N 276.339 3.520 30 20 CHED CCCCCCCCC(=O)Nc1ccc(C(N)=O)c(F)c1 102628247 ZPUAMBSEXRONSH-UHFFFAOYSA-N 294.370 3.614 30 20 CHED C=CCCOC(=O)c1c(C)nn(-c2ccccc2)c1Cl 103648980 DCIIEZUMUWYMMO-UHFFFAOYSA-N 290.750 3.567 30 20 CHED Cc1cc(-c2noc(-c3cccc(C#N)c3)n2)ccc1F 109557526 RRLXZCXLUVMHQP-UHFFFAOYSA-N 279.274 3.723 30 20 CHED CCCCCCCC(=O)N1CCN(C)c2ccccc2C1 110735650 ZEHPKUNYJVWHFU-UHFFFAOYSA-N 288.435 3.826 30 20 CHED CCCCCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 114619285 CQXNUWRYBCYVLZ-CYBMUJFWSA-N 299.399 3.962 30 20 CHED CCNc1nnc(S[C@H](C#N)C2CCCCC2)s1 115186562 UPYDLJBGYTXWKJ-SNVBAGLBSA-N 282.438 3.534 30 20 CHED C=CCS[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 119214795 HVJCJASVRPURBV-GFCCVEGCSA-N 285.771 3.504 30 20 CHED COc1ccc2ccc(OC[C@@H](C#N)CCC#N)cc2c1 119232777 XLHGPWNNGGNQMQ-CYBMUJFWSA-N 280.327 3.671 30 20 CHED COc1ccccc1/C=C/C(=O)c1ccc(O)c(Cl)c1 119254174 RVMLBCQOQGLAQD-SOFGYWHQSA-N 288.730 3.950 30 20 CHED C#CCCCCC(=O)NCCSc1ccc(Cl)cc1 119502061 KCRXTFQRNNEAEK-UHFFFAOYSA-N 295.835 3.742 30 20 CHED CN(C)c1cccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 122078478 ACULNRKFTBDNSA-UHFFFAOYSA-N 299.761 3.530 30 20 CHED C=C(C)COCCNC(=O)[C@H](c1ccccc1)[C@H](C)CC 126079265 XKORWKKWDVRVAV-WBVHZDCISA-N 289.419 3.525 30 20 CHED C#Cc1cccc(N(C)C(=O)c2cc(F)c(C)cc2F)c1 128232276 YXUFCEGJERDLRP-UHFFFAOYSA-N 285.293 3.531 30 20 CHED C[C@H](CC#N)N(C)Cc1csc(-c2ccsc2)n1 129679124 LKDGROUMGZVAIR-SNVBAGLBSA-N 277.418 3.606 30 20 CHED Cc1ccc(C#N)cc1NCc1cc(F)cc(F)c1 129777194 GYRPJSKXTYNWHY-UHFFFAOYSA-N 258.271 3.757 30 20 CHED COc1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1C#N 132662888 BKICGSJCUXDJGA-AWNIVKPZSA-N 293.297 3.528 30 20 CHED CC(C)Cc1ccc(CCCC(=O)N(C)CCC#N)cc1 132912389 ZBRHNUJNMKDXRP-UHFFFAOYSA-N 286.419 3.580 30 20 CHED CCC[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)C(C)C 135128295 MIWBGIXDFUQBTH-MRXNPFEDSA-N 272.392 3.589 30 20 CHED CCSCC[C@H](C)N(C)Cc1ccc(OC)c(C#N)c1 135204082 SBCYRDCYWURRJA-ZDUSSCGKSA-N 292.448 3.530 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1ccc(SC(F)F)cc1 136189773 KBNMUKOTGSRFCT-ZDUSSCGKSA-N 284.331 3.880 30 20 CHED N#Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 145713858 XVYXUSIAKPLCKF-CVEARBPZSA-N 296.757 3.954 30 20 CHED Cc1cccc(/C=C/C(=O)c2cncc(F)c2)c1C 150953597 ZHCBQAYLWDVTQD-VOTSOKGWSA-N 255.292 3.734 30 20 CHED CC#CCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 156496792 GGSYXVFMLNKAPC-AWEZNQCLSA-N 288.460 3.615 30 20 CHED C=C(C)CNC(=O)Nc1cc(F)ccc1N1CCCCC1 157291198 SEEFUTMMFQIZMM-UHFFFAOYSA-N 291.370 3.514 30 20 CHED C=CCCOCCNC(=O)Nc1cccc2ccccc12 157485485 DMUOANUIORLRHB-UHFFFAOYSA-N 284.359 3.554 30 20 CHED C/C(=C\c1cccc(Cl)c1)C(=O)N(C)C1(C#N)CCC1 159520017 DLOGEXSZKVWOGJ-FMIVXFBMSA-N 288.778 3.648 30 20 CHED C=CCCN[C@@H](C)c1ccc(OC)c(Br)c1 162159599 ZFMGVZIRVHKYIF-JTQLQIEISA-N 284.197 3.684 30 20 CHED CCN(C(=O)[C@H](C)C(C)C)[C@H](C)c1ccc(C#N)cc1 171919321 PGHMDAHXNDAPSI-ZIAGYGMSSA-N 272.392 3.760 30 20 CHED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H](C)C(C)C 172018980 WUBZSLYQZHEWIH-FZMZJTMJSA-N 296.370 3.660 30 20 CHED C[C@H](CNCc1cccc(C#N)c1)Cc1cccs1 174534349 NZMXDULWOSRLFK-ZDUSSCGKSA-N 270.401 3.588 30 20 CHED N#Cc1c[nH]c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 175209774 RSGVHHCYOAXEQH-UHFFFAOYSA-N 299.333 3.710 30 20 CHED C=CC1CCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 175220589 FORVMUKRRGVGGD-LBPRGKRZSA-N 262.397 3.931 30 20 CHED O=C1/C(=C\c2cccnc2Cl)Cc2ccc(F)cc21 176411185 BMSJNUQWIUTRSE-XFFZJAGNSA-N 273.694 3.697 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1cc2nc(C)ccc2o1 178119199 QMSWYYWLZDEPAT-UHFFFAOYSA-N 299.374 3.729 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCC[C@H](C)C1 178547458 GJBPRTWVSMVIEZ-WFASDCNBSA-N 285.391 3.909 30 20 CHED Cc1ccc2ncc(/C=C3\Cc4cc(F)ccc4C3=O)n2c1 178768299 UTMLZFGCSLWCPP-MDWZMJQESA-N 292.313 3.604 30 20 CHED CCN(C(=O)Cc1c(C)cccc1C)c1ccc(C#N)cc1 181277756 IAHKYYWSRFXBNV-UHFFFAOYSA-N 292.382 3.771 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)CCc1c[nH]c2ccccc12 181991605 WCMPXZANQXNUHZ-OAHLLOKOSA-N 284.359 3.582 30 20 CHED COc1cc(F)cc(CN[C@@H](C)c2cccc(C#N)c2)c1 182104813 KHSILHAYWMBMBW-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C=C(C)CN(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 183402750 FOMXAUIBGOILIX-BBRMVZONSA-N 272.392 3.528 30 20 CHED CC[C@H](CC#N)NC(=O)c1oc2ccc(Cl)cc2c1C 183868907 ABLYDYIAXFJKIS-LLVKDONJSA-N 290.750 3.817 30 20 CHED Cc1cc(C#N)ccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 186320228 CJWUWRMQGIGFGT-CYBMUJFWSA-N 295.342 3.626 30 20 CHED C#CCCCCC(=O)NCCCCCc1ccc(F)cc1 186937549 CPBSBWOOVLBPKX-UHFFFAOYSA-N 289.394 3.848 30 20 CHED C=C[C@@](C)(CCOC)C(=O)N1CCC2(CCCCC2)CC1 188479347 HWLACNTTWPKMFE-KRWDZBQOSA-N 293.451 3.788 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1cccc(C)c1C 188856886 AONUKXFSGGSLIV-MAUKXSAKSA-N 289.419 3.709 30 20 CHED C=CCC1(C(=O)N[C@H]2CCOc3ccc(F)cc32)CCC1 191543770 OVYZOXKTQMVSOY-AWEZNQCLSA-N 289.350 3.512 30 20 CHED C#CCCCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 192057959 AAPWQFXWLDNVSF-UHFFFAOYSA-N 299.370 3.860 30 20 CHED N#CC(CCn1ccnc1)(c1ccccc1)c1ccccc1 193068731 IVKGVHVWAKEBKF-UHFFFAOYSA-N 287.366 3.783 30 20 CHED O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1ccsc1 194614123 DGBQCZBGDYBFSL-NSCUHMNNSA-N 288.759 3.945 30 20 CHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccc(O)cc1 209250411 MNOICKPISJRHMB-XFSBKJJWSA-N 274.703 3.647 30 20 CHED CCCCCCCOC(=O)c1cc(F)cc(N)c1F 217923950 NCSOGOWQZNJLDO-UHFFFAOYSA-N 271.307 3.674 30 20 CHED CC[C@@H]1CCCN(Cc2cccc(C#N)c2F)CC1 223542331 XHRMSFMQUBZJLL-CYBMUJFWSA-N 260.356 3.709 30 20 CHED CC1(CNc2ccc(C(F)(F)F)cc2C#N)CC1 229735553 HMWZZGYHBOEXDJ-UHFFFAOYSA-N 254.255 3.789 30 20 CHED CN(C)c1ccc(/C=C\C(=O)c2ccc(C#N)s2)cc1 255056140 AGWFSEHOELJHDV-UITAMQMPSA-N 282.368 3.582 30 20 CHED O=C(/C=C\c1cccc(Cl)c1F)c1ccco1 255060409 UKVKLOUWURQEET-SREVYHEPSA-N 250.656 3.968 30 20 CHED O=C(/C=C\c1csc(-c2cccs2)n1)c1cnccn1 255886020 LHDQFJNXZAOGSF-ARJAWSKDSA-N 299.380 3.558 30 20 CHED C=CCC(CC=C)C(=O)Nc1cccc([C@@H](C)C(=O)O)c1 263182586 HLQVROIGYFWCRZ-GFCCVEGCSA-N 287.359 3.582 30 20 CHED C=CCCC(=O)N1CCCC[C@@H]1Cc1ccccc1 263816879 OWPJHLIIHIYNBQ-MRXNPFEDSA-N 257.377 3.576 30 20 CHED C=C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 264427975 BWEXIAJHDYQPDW-UHFFFAOYSA-N 289.766 3.542 30 20 CHED C=CCN(C(=O)c1cccc(-c2csc(C)n2)c1)C1CC1 271609474 ZQCMIDPNHPZFAE-UHFFFAOYSA-N 298.411 3.909 30 20 CHED Cc1ccnc(N2CCC[C@H]2c2cccs2)c1C#N 273043336 PNROGKJDWJPVAK-ZDUSSCGKSA-N 269.373 3.665 30 20 CHED CCCCCCCc1nc(Cc2ccncc2)no1 273692182 IHFJCRNZTNQURP-UHFFFAOYSA-N 259.353 3.568 30 20 CHED C=CCC[C@@H](CC)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 279432382 GSNKVULXFMPTCH-UONOGXRCSA-N 299.422 3.571 30 20 CHED C#Cc1cccc(NC(=O)N(CC)C(CC)CC)c1 289641069 KWPAUAOFHCDHIC-UHFFFAOYSA-N 258.365 3.710 30 20 CHED CCCC[C@H](C)N(C)C(=O)Nc1cccc(OCC#N)c1 289805309 LFZOSZCVLOKZJL-ZDUSSCGKSA-N 289.379 3.631 30 20 CHED CC#CCCCc1nc(-c2cc(F)ccc2C)no1 289986542 DPOWVXHVELTIGO-UHFFFAOYSA-N 258.296 3.530 30 20 CHED C=CCC(C)(C)C(=O)N(C)Cc1nc2ccccc2s1 292254314 PLCWFAAJWHZLOU-UHFFFAOYSA-N 288.416 3.857 30 20 CHED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC1(F)F 294485536 DPXATDUVRSXMOD-VHSXEESVSA-N 296.342 3.675 30 20 CHED C=CCn1c(C)nnc1SC[C@H]1CCCCC1(F)F 296388399 URSRWNYHWULSEY-LLVKDONJSA-N 287.379 3.690 30 20 CHED C[C@H](CCC#N)N(C)Cc1cc(Br)cs1 297832921 JXVLYRWQDHVVCZ-SECBINFHSA-N 287.226 3.635 30 20 CHED C=CCC(C)(C)C(=O)Nc1cccc2ncccc12 297862071 OKJMBJBSHVVIEG-UHFFFAOYSA-N 254.333 3.776 30 20 CHED C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 299320209 OXMDDKPVXXKQME-NSHDSACASA-N 267.756 3.568 30 20 CHED C[C@@H](CCC#N)N[C@H](C)c1ccccc1OC(F)F 299696331 OKRPTLPPHHLCRM-WDEREUQCSA-N 268.307 3.631 30 20 CHED N#Cc1ccc2nc(NCc3ccccc3)ccc2c1 301837274 XZEHTSOJFUJDEI-UHFFFAOYSA-N 259.312 3.719 30 20 CHED Cc1c(Cl)ccc2ccc(N(C)CCC#N)nc12 301993550 OMYCQSWJUFPCED-UHFFFAOYSA-N 259.740 3.547 30 20 CHED N#Cc1cccc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)n1 302476496 FFDDDAJJSPTWEO-JKSUJKDBSA-N 277.371 3.777 30 20 CHED Cc1ccccc1[C@H](O)C/N=C/c1cc(Cl)ccc1O 304066848 UETCRYOUCAGMPE-TWIVVOHQSA-N 289.762 3.507 30 20 CHED Cc1ccoc1CNc1cccc(Br)c1C#N 310470700 BGPFPDHJPIVLFK-UHFFFAOYSA-N 291.148 3.834 30 20 CHED N#Cc1cccc(OCCOc2cc(F)ccc2Cl)c1 312294521 SAIYMRDSICPWPD-UHFFFAOYSA-N 291.709 3.809 30 20 CHED C[C@@H](/N=C(/O)[C@H]1CCCO1)c1nc(C(C)(C)C)cs1 328793975 SFFXUMRRGYUNPC-NXEZZACHSA-N 282.409 3.637 30 20 CHED O/C(COc1cccnc1)=N/[C@@H]1CC[C@@H]2CCCC[C@H]2C1 328902299 GLJVSFQMMPSQJP-SOUVJXGZSA-N 288.391 3.776 30 20 CHED Cc1ncc(N=C(O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cn1 329049507 GTJUKVJAIPBOTA-AEGPPILISA-N 273.380 3.980 30 20 CHED CC(C)(C)[C@@H]1OCCC[C@@H]1C/N=C(/O)C1CCC(=O)CC1 329873374 DTLCNOGURIUIOV-UKRRQHHQSA-N 295.423 3.544 30 20 CHED N#CC1(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CCC1 332987692 ZKVOUVREBGECFJ-CVEARBPZSA-N 282.387 3.523 30 20 CHED N#C[C@@H]1CC[C@@H](N2CCC(c3ccsc3)CC2)C1 334342530 PYNRMERUEYJJEJ-IUODEOHRSA-N 260.406 3.620 30 20 CHED Cc1ccc([C@H]2CCCN2C(=O)CC(C)(C)C#N)cc1 335964487 IGXWHGXACQUICF-OAHLLOKOSA-N 270.376 3.598 30 20 CHED C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2CC#N)C1 336254406 CIAVGQACCKPTIB-TZMCWYRMSA-N 256.349 3.517 30 20 CHED C=CCC[C@H](NCCOCC(C)C)c1ccccc1 337302494 PQULBHYWYQIFIU-KRWDZBQOSA-N 261.409 3.956 30 20 CHED C=CCCc1ccccc1NC(=O)N[C@H](C)c1ccon1 337609918 UAPHYGAAEKYBQK-GFCCVEGCSA-N 285.347 3.676 30 20 CHED CC#CCCCC(=O)Nc1cc(C)nn1[C@H]1C[C@H]2CC[C@H]1C2 342084589 BKJZYOWVHIEPKA-JYJNAYRXSA-N 299.418 3.685 30 20 CHED C=CCCOCCCCC(=O)Nc1ccc(F)cc1F 342616081 HOAVYPCHWWZDLQ-UHFFFAOYSA-N 283.318 3.666 30 20 CHED CC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C 343631072 MTISEVXDSMMPHE-AWEZNQCLSA-N 298.390 3.523 30 20 CHED C=CCOc1ccc(/C=C\c2nc(C3CC3)no2)cc1OC 345931187 NETRPTBXBKJDQH-UITAMQMPSA-N 298.342 3.691 30 20 CHED C=CC[C@@H]1N(C(=O)[C@@H]2CC[C@H](CC)O2)CCCC1(C)C 347474690 WPBRDSNKOVSZGK-KKUMJFAQSA-N 279.424 3.537 30 20 CHED CCN(CCC#N)C/C(C)=C\c1ccccc1OC(F)F 356079876 BWZVARPFYLRYNG-QBFSEMIESA-N 294.345 3.927 30 20 CHED C=CCOCCCSCc1cc(-c2ccco2)on1 359108429 QTTFDNNEMUXMLN-UHFFFAOYSA-N 279.361 3.761 30 20 CHED C=CCCC1(C(=O)N[C@@H]2c3ccc(F)cc3O[C@H]2C)CC1 360317724 KLWQTPZFHSMURH-NHYWBVRUSA-N 289.350 3.510 30 20 CHED N#Cc1ccc(NC(=O)N2CCC[C@H]2C2CC2)cc1Cl 368960919 SOANXSTXXRQRKH-AWEZNQCLSA-N 289.766 3.618 30 20 CHED C=C(Br)CNc1cncc(-c2cccs2)n1 382314012 RCCZUJVRCVQQNP-UHFFFAOYSA-N 296.193 3.526 30 20 CHED CC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)c(F)c1 404114827 FLUMIJSFLSRLCH-CZUORRHYSA-N 260.356 3.756 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cncc(-c2ccccc2)c1 410130062 IZNVCENJGGJCAH-QGZVFWFLSA-N 280.371 3.833 30 20 CHED C=C[C@](C)(CC)C(=O)NCC[C@H](C)c1ccccc1 410223190 IJWDCOWMLIBAAL-WMLDXEAASA-N 259.393 3.899 30 20 CHED C=CCCC(=O)Nc1ccc2ccc(Cl)cc2n1 410404520 AMYJISVHTAKQBS-UHFFFAOYSA-N 260.724 3.793 30 20 CHED CCC[C@H](C#N)N(C)C(=O)CCCc1c[nH]c2ccccc12 410828895 PDQZRNNZMWRFDI-OAHLLOKOSA-N 297.402 3.641 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 410963722 GKNVRNCYUSSNIJ-COPLHBTASA-N 286.762 3.557 30 20 CHED C[C@H](NCCC1(C#N)CCCCC1)c1ccccn1 411500517 GAQUGQLJKLMEDT-AWEZNQCLSA-N 257.381 3.596 30 20 CHED C=CCCCC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 412751164 YWXXXNOHNKDHKD-SFHVURJKSA-N 299.414 3.723 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 414135489 CKCYVCYLOHPFSW-XBVQOTNRSA-N 291.822 3.909 30 20 CHED CCC(CC)[S@@](=O)CCC1(C#N)CCCCC1 414258844 PWUOLESHKYPNIG-KRWDZBQOSA-N 255.427 3.788 30 20 CHED CC#CCCCC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 416298832 ZIQXKAITPBWTOT-GJZGRUSLSA-N 263.425 3.853 30 20 CHED C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)[C@@H]1C 416684670 AEGGCHHGNFWSIS-PNBKFKSVSA-N 299.418 3.717 30 20 CHED N#CC1(CC[S@@](=O)Cc2cccc(F)c2)CCCCC1 417160816 QBGMBTVRFVUJCV-HXUWFJFHSA-N 293.407 3.939 30 20 CHED CC[C@@H](N[C@@H]1COCc2ccccc21)c1ccc(C#N)cc1 417342169 CGXQKHWOYHSFSK-RTBURBONSA-N 292.382 3.870 30 20 CHED CC(C)(C#N)CCN[C@@H](CC(F)F)c1ccccc1 421002985 YLYNEDSOMMCANW-ZDUSSCGKSA-N 266.335 3.912 30 20 CHED C=CCOCCN(C(C)C)[C@H](C)c1ccsc1 421019559 YGAFNRHEXTWTIR-CYBMUJFWSA-N 253.411 3.722 30 20 CHED C=CCC[C@H](CC)N[C@H]1CCCc2cc(N)ccc21 423352333 KGJCBVVUBCUXPN-RDJZCZTQSA-N 258.409 3.981 30 20 CHED N#C[C@H]1CC[C@@H](N[C@@H]2CCSc3c(F)cccc32)C1 424318277 CXALVOKXHITRNU-MISXGVKJSA-N 276.380 3.644 30 20 CHED CCCc1csc(CN(CCC#N)CCC(C)C)n1 426404275 YTAWIJIRPZJPMW-UHFFFAOYSA-N 279.453 3.857 30 20 CHED CC(C)Cc1ccc([C@H](C)C(=O)N(C)C[C@@H](C)C#N)cc1 429594829 SMSUKGLMQRAPSE-GJZGRUSLSA-N 286.419 3.607 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1ccc(SC)cc1 437495739 MUGYTPLXKDUZQM-INIZCTEOSA-N 277.433 3.670 30 20 CHED CC(C)C[C@@H](C)NC(=O)Nc1ccc(C#N)cc1Cl 443921227 ZZUHUYGCNIKJFA-SNVBAGLBSA-N 279.771 3.768 30 20 CHED CCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 443988720 JKBJKUHXGNFLKC-UHFFFAOYSA-N 280.371 3.555 30 20 CHED C=CC[C@@H]1N(Cc2cncc(C)c2)CCCC1(C)C 444777215 RJRYRGYIULDDEK-INIZCTEOSA-N 258.409 3.957 30 20 CHED C=CC[C@H]1N(C(=O)N[C@@H]2CC=CCC2)CCCC1(C)C 445141157 UDKCRJOJPPJCAJ-HUUCEWRRSA-N 276.424 3.871 30 20 CHED COC(=O)c1cc(N[C@H]2CCC[C@H](C#N)C2)c(C)cc1C 446807490 ZVKPEQHYXQUWJI-KBPBESRZSA-N 286.375 3.584 30 20 CHED C=C[C@@H]1OCCC[C@H]1NCc1cccc2ccccc12 449547821 JURVWRWIEKRHIZ-MSOLQXFVSA-N 267.372 3.663 30 20 CHED C[C@H]1C[C@H](C(=O)N2CCc3ccc(C#N)cc32)CC[C@H]1C 450260069 ZMWNBRKUBLQRMS-DVOMOZLQSA-N 282.387 3.520 30 20 CHED C=CCC1(C(=O)N2C[C@H](C)O[C@H](C3CC3)C2)CCCCC1 451323710 JKQWQOVWPAMYDX-HOCLYGCPSA-N 291.435 3.539 30 20 CHED C=CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 452778632 YJKUDEAURMTMBP-RFQIPJPRSA-N 287.403 3.835 30 20 CHED C=C(C)CCNC(=O)N(C)[C@H](C)c1ccc(C)cc1C 455317769 XONNUMCRSMWMTC-OAHLLOKOSA-N 274.408 3.972 30 20 CHED C=C(C)CCNC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 455328476 RLGIDLHLTQKXFQ-INIZCTEOSA-N 286.419 3.788 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1scnc1C(C)C 455837841 AGQOVAVRHHUWRO-UHFFFAOYSA-N 281.425 3.990 30 20 CHED Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H]2CC(C)C)c1 456001932 MINXWQHFLWKILE-MRXNPFEDSA-N 285.391 3.909 30 20 CHED C=CC(C)(C)CNC(=O)N(Cc1ccccc1C)C1CC1 458985658 IMBQPXUMLOMPTH-UHFFFAOYSA-N 286.419 3.881 30 20 CHED CC1(c2ccccc2)CC(NCCc2cccc(C#N)c2)C1 459541929 NNAVGUPGQJRFEO-UHFFFAOYSA-N 290.410 3.811 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)C1CC1 460384020 XDIGQRYDVFQHDX-ZDUSSCGKSA-N 290.455 3.678 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CCCC1(C)C 460385793 GEQBQYMDBKHKAO-UHFFFAOYSA-N 276.428 3.576 30 20 CHED C[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccccc1 461762585 DXAKVQCRQUVQCT-ZIAGYGMSSA-N 278.355 3.539 30 20 CHED C[C@@H](C(=O)NCCCC1CCCC1)c1cccc(C#N)c1 461894211 LJKYCFNCDCHRPM-CQSZACIVSA-N 284.403 3.748 30 20 CHED CCn1c(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc2ccccc21 464157526 FFEICZPUQSTYCO-SFHVURJKSA-N 297.402 3.719 30 20 CHED CC(C)[C@H](C(=O)N[C@@H](C#N)C(C)C)c1cccc(Cl)c1 464312018 PGHBOTVGABEZSU-GJZGRUSLSA-N 292.810 3.744 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc(C2CCCC2)cc1 464411017 ZWRGSVZBKSTKFU-MRXNPFEDSA-N 270.376 3.622 30 20 CHED CC#CCCCC(=O)Nc1ccc(O[C@H](C)CC)cc1 464651997 URWXXERJKGRGID-CQSZACIVSA-N 273.376 3.996 30 20 CHED C=CC[C@@H](CC)NC(=O)N(C1CC1)[C@@H](C)c1ccco1 466394239 CKEUWOGKTWSNAW-QWHCGFSZSA-N 276.380 3.869 30 20 CHED C=CCCCN1CCC(c2ccc(OC)cc2)CC1 466739636 ODYAYHJWZLPYQT-UHFFFAOYSA-N 259.393 3.841 30 20 CHED C=CCOCCCN[C@H](c1ccccc1)C(C)(C)C 470776879 NUOYYTOTCGLCTH-MRXNPFEDSA-N 261.409 3.956 30 20 CHED C=CCCCCNC(=O)CCc1ccc2[nH]ccc2c1 471668375 QAKNZRQSCKECNY-UHFFFAOYSA-N 270.376 3.573 30 20 CHED C=C(C)CN(CC)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C 476145465 IKBIYHUBXBXIHA-PBHICJAKSA-N 286.419 3.918 30 20 CHED C=C(CC)CN[C@@H](CO)c1c(Cl)cccc1Cl 483234691 MKPLZWGWLDFNFS-LBPRGKRZSA-N 274.191 3.583 30 20 CHED C=CCN(Cc1ccc(OCC2CC2)cc1)C1CC1 483305125 DVWGHTRSAYNBCW-UHFFFAOYSA-N 257.377 3.626 30 20 CHED C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)CC1(C)C 483681635 IDPBQLNUVJNTIY-LBPRGKRZSA-N 260.356 3.565 30 20 CHED CCCCC1CCC(C(=O)N[C@@]2(C#N)CC2(C)C)CC1 484898576 DVPSQRFSCOSJMW-MQBCKMQZSA-N 276.424 3.791 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Cl)s1 489978319 MOTSVIBLMMBLEB-UHFFFAOYSA-N 257.786 3.734 30 20 CHED C=C(C)CN(C)C(=O)NC1CCC(CCCC)CC1 497410328 GJKCITNTYWZMPK-UHFFFAOYSA-N 266.429 3.953 30 20 CHED C=C(C)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 509311939 APISCYCBQRQCFH-OAHLLOKOSA-N 265.784 3.680 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CC=CCC1 512046259 RRRAKCCHTHVOSA-MRXNPFEDSA-N 266.388 3.903 30 20 CHED Cc1cc(OCCC[C@@H](C)NC[C@@H](C)C#N)ccc1Cl 515389577 IQHCWCIRWWTNQS-GXTWGEPZSA-N 294.826 3.945 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC1CCN(CC2CC2)CC1 515613446 DMUGUKLDYYTUHH-FQEVSTJZSA-N 298.474 3.638 30 20 CHED Cc1ccc(C[C@@H](C)NC(=O)C2(C#N)CCCCC2)c(C)c1 519469037 LUXOFKCXTUXNFW-MRXNPFEDSA-N 298.430 3.825 30 20 CHED N#Cc1ccc2c(c1)[C@@H](NC1(c3ccc(F)cc3)CC1)CC2 519618588 VQCJVBMBSXSTIX-SFHVURJKSA-N 292.357 3.964 30 20 CHED Cc1ccc(C(=O)N(C)CC(C)(C)C#N)cc1C(F)(F)F 529423513 JQBMADXXNOQJTD-UHFFFAOYSA-N 298.308 3.636 30 20 CHED CCc1cnc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 530732933 RINITEQDXTXGKA-SJORKVTESA-N 295.386 3.509 30 20 CHED N#CCc1ccnc(NC(=O)c2ccc3ccccc3c2)c1 531924243 JOUDOXBCWLXJKU-UHFFFAOYSA-N 287.322 3.553 30 20 CHED CC1CC(C#N)(C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 532334786 WOQYRBKOTNRKQH-UHFFFAOYSA-N 295.342 3.584 30 20 CHED C=CCCCCCN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 533289680 VDKRHIKJXJGADT-HNNXBMFYSA-N 299.418 3.563 30 20 CHED C=CCN(C(=O)N[C@H]1CCC[C@@H]1CCCC)C1CC1 536797359 NKFNALXEMVVYAG-ZFWWWQNUSA-N 264.413 3.705 30 20 CHED C=CCCOCCCCC(=O)N(C)CC1CCCCC1 537162638 OXDBTADWJFJRSW-UHFFFAOYSA-N 281.440 3.788 30 20 CHED C=C(CC)CSc1nnc(N2CCCCC2)n1C1CC1 539112394 VKNYDFYATNJBNQ-UHFFFAOYSA-N 292.452 3.662 30 20 CHED C=CCOCC(=O)Nc1ccccc1Nc1ccccc1 539705285 CPCGRBYKUIFRJU-UHFFFAOYSA-N 282.343 3.571 30 20 CHED N#CCC1CCN(Cc2ccc3ccccc3c2)CC1 540995712 QXTPVVBIRFABRW-UHFFFAOYSA-N 264.372 3.965 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C(C)(C)C)C1 543201894 GXIZERORSWGZLP-UONOGXRCSA-N 266.429 3.809 30 20 CHED C=CCCC[C@H](C)NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 543942595 UBEVUQNNDQRLTQ-YHUYYLMFSA-N 278.440 3.951 30 20 CHED Cc1c(Cl)c[nH]c(=NCc2cc3ccccc3o2)c1C#N 544068660 VHUNCIGJXYFYIE-UHFFFAOYSA-N 297.745 3.695 30 20 CHED C=CCNC(=O)NC(c1ccccc1C)c1ccccc1C 546176076 HTPUPPOQWDWBDY-UHFFFAOYSA-N 294.398 3.878 30 20 CHED N#CCC[C@@H](C#N)CNCC1CCC(c2ccccc2)CC1 554551459 JFOHOQIEWHUIHS-HFCFLWKCSA-N 295.430 3.994 30 20 CHED C[C@@H]1CC(CCNc2c(F)cc(C#N)cc2F)C[C@@H](C)O1 558785384 PTNRZENMIPXVMX-GHMZBOCLSA-N 294.345 3.842 30 20 CHED CN(Cc1ccc2ccccc2c1)c1ccnc(C#N)c1 559592260 KUTZBHYWJWYODH-UHFFFAOYSA-N 273.339 3.743 30 20 CHED C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C)CC1 562027116 ASSHARDOYQCHRI-AWEZNQCLSA-N 290.455 3.679 30 20 CHED Cc1cc(C(=O)Nc2cc(C#N)c3ccccc3n2)oc1C 565328448 FAMNFOMXNDEGMW-UHFFFAOYSA-N 291.310 3.569 30 20 CHED Cc1c(Br)cccc1CN[C@H]1CC[C@@H](C#N)C1 568239590 PJVLWIXKNCHZHN-YPMHNXCESA-N 293.208 3.539 30 20 CHED N#C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 568269817 YYVKTVABKUKTPI-AWEZNQCLSA-N 296.399 3.847 30 20 CHED CC1=C(C)C[C@H](C(=O)Nc2ccc(C#N)c(C#N)c2)CC1 568629668 IAZHYJQFMAENAQ-CYBMUJFWSA-N 279.343 3.505 30 20 CHED N#CCCC1CCN(C(=O)NCC2CCCCCC2)CC1 568744440 DOLQPXWPUPYJPK-UHFFFAOYSA-N 291.439 3.682 30 20 CHED CC(C)CC[C@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 569040091 UTYUTFHVAYNKDC-NSHDSACASA-N 277.343 3.644 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)CCCC1CCCCC1 569502651 ONHFVKYGNYMLKF-INIZCTEOSA-N 296.480 3.889 30 20 CHED CC(C)(CCC#N)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] 573219448 COFNGEVIHARGIY-AWEZNQCLSA-N 287.363 3.502 30 20 CHED CCc1nocc1CSc1nc2c(cc1C#N)CCCC2 574986818 DQIREONTZYNJRS-UHFFFAOYSA-N 299.399 3.675 30 20 CHED Cc1cc(N2CCC[C@@H]2CCC(C)C)cc(C#N)n1 575203281 DKQXTZDMMYHLJI-OAHLLOKOSA-N 257.381 3.667 30 20 CHED CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(C)c(C)o2)cc1 577290758 XMQSJIAVTXOWJB-INIZCTEOSA-N 296.370 3.796 30 20 CHED N#Cc1ncccc1N[C@H]1CC[C@@H](c2cccc(F)c2)C1 579557612 BQYQCZMAPMEHOQ-HIFRSBDPSA-N 281.334 3.841 30 20 CHED N#CCc1ccccc1NC(=O)C/C=C\c1cccc(F)c1 580121576 RQCJFVISWWYRJT-XQRVVYSFSA-N 294.329 3.934 30 20 CHED C=CCC[C@H](NCc1cc(C)nc(N2CCCC2)c1)C1CC1 580501708 OFDBKFQUKNGIQI-SFHVURJKSA-N 299.462 3.825 30 20 CHED CC1(C#N)CN(Cc2ccc(-c3ccccc3)cc2)C1 583336664 WXMSGSACBMCTRF-UHFFFAOYSA-N 262.356 3.699 30 20 CHED C[C@@H](NC(=O)CCCCCC#N)c1cccc(F)c1F 588162870 NBIWPZFJGOHMBU-LLVKDONJSA-N 280.318 3.616 30 20 CHED CCc1ccc([C@H](C)C(=O)NCC(C)(C)CCC#N)cc1 588177530 WYRHKWFPZIUYAM-AWEZNQCLSA-N 286.419 3.799 30 20 CHED CC[C@@H](CC#N)OC(=O)/C=C\c1nc2ccccc2s1 588558098 AJCYQSSLRXLEII-TVRMLOFPSA-N 286.356 3.545 30 20 CHED CC[C@@](C)(NC(=O)CCCCCC#N)c1nc(C)cs1 588932661 QWBWKNJWXVNQMT-OAHLLOKOSA-N 293.436 3.667 30 20 CHED N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(F)cc31)CC2 589342413 QRVDRTKXKQHPPX-RTBURBONSA-N 292.357 3.962 30 20 CHED CC(C)c1scnc1C(=O)N[C@@H](C)c1cccc(C#N)c1 589437720 CFMGSWPZJDVUFS-NSHDSACASA-N 299.399 3.629 30 20 CHED Cc1nc(N[C@H](C)c2cccc(C#N)c2)c(Cl)cc1C#N 589688636 XJPHSWZBFYSVEZ-SNVBAGLBSA-N 296.761 3.960 30 20 CHED CC[C@H](C#N)C(=O)Nc1nc(-c2ccc(C)s2)cs1 593456398 CKGWHLOMBUOHHQ-SECBINFHSA-N 291.401 3.668 30 20 CHED CC[C@H](C#N)C(=O)N1CCCCC[C@H]1c1cccc(C)c1 593481878 LMEZVCLXJUOBRB-WBVHZDCISA-N 284.403 3.989 30 20 CHED N#C[C@H]1CC[C@@H](NCC2(c3ccccc3F)CCC2)C1 593643097 VSFIFYGGKPPVLD-UONOGXRCSA-N 272.367 3.529 30 20 CHED CC(C)N(Cc1ccc(C#N)cc1)CC1CC=CC1 595296928 OEXOUAHIPQQHAU-UHFFFAOYSA-N 254.377 3.735 30 20 CHED N#C[C@H](c1ccccc1)N1CCCO[C@H](c2ccccc2)C1 595300261 OGEXOUYPRRWXSC-MOPGFXCFSA-N 292.382 3.715 30 20 CHED N#CC[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 596329847 GZCMTSLNRCLHEN-NSHDSACASA-N 293.292 3.707 30 20 CHED Cc1cc(-c2cccc3c2OCCCO3)ccc1CC#N 596640278 CPEJVPBUSZAIMM-UHFFFAOYSA-N 279.339 3.889 30 20 CHED Cc1cccc(-c2n[nH]cc2CN2CCC[C@H](CC#N)C2)c1 597173527 JRCXZSXOASGXSW-OAHLLOKOSA-N 294.402 3.511 30 20 CHED CC[C@H](CC(F)(F)F)NC(=O)CC1(C#N)CCCCC1 597506726 FGEAHFSCKGJRLM-LLVKDONJSA-N 290.329 3.698 30 20 CHED C=CC[C@H]1CCCN(C(=O)[C@H](C)SCCCC)C1 597998130 MEJVQUMTZNUITH-KBPBESRZSA-N 269.454 3.723 30 20 CHED CCN(C(=O)CCSc1cccc(Cl)c1)[C@@H](C)C#N 598363932 WWHDVFKPYNXDMR-NSHDSACASA-N 296.823 3.583 30 20 CHED CC(C)CCN(C[C@H](O)CC(C)(C)C#N)C1CCCC1 598588642 AIPZJPLVLLAXBJ-MRXNPFEDSA-N 280.456 3.578 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)Nc1nc(C)cc(C)c1C#N 598857784 IXEIWVMFWPOGQF-ZIAGYGMSSA-N 285.391 3.725 30 20 CHED N#Cc1cccc(C2(N[C@@H]3CCCc4scnc43)CC2)c1 599037431 BFUVVOCFIIGDNT-CQSZACIVSA-N 295.411 3.671 30 20 CHED C[C@H](CCC#N)CNCc1ccc(-c2ccccc2)o1 602517099 BYTDMFXEIVGNQD-CQSZACIVSA-N 268.360 3.976 30 20 CHED C[C@@H](CCC#N)CNCCCCCc1ccccc1 602529398 FQNHAVOKYOTRTO-INIZCTEOSA-N 258.409 3.929 30 20 CHED COc1ccccc1CC(C)(C)NC[C@@H](C)CCC#N 602537878 BSBKKMNVDWKPOW-AWEZNQCLSA-N 274.408 3.546 30 20 CHED COc1cc(C)c([C@H](C)N2CCC[C@@H](CC#N)C2)cc1C 602709985 UFNVLGCQEXKBLR-HOTGVXAUSA-N 286.419 3.999 30 20 CHED Cc1sccc1NC(=O)N(CCC#N)Cc1ccco1 603086201 FKXJJKSXBXNWHM-UHFFFAOYSA-N 289.360 3.597 30 20 CHED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H](C)C(C)C 609216568 MWKFGBPTVJBDFQ-CQSZACIVSA-N 297.402 3.671 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)NC[C@H](C)C#N 609589983 YVUCSQQWLHUWIT-HIFRSBDPSA-N 264.413 3.649 30 20 CHED CCCCN(C)c1c(C#N)cnc2c(C)cccc12 610211081 RFZSLTOXHNCTQR-UHFFFAOYSA-N 253.349 3.651 30 20 CHED COc1ccc(C#N)cc1CN1CCCc2sccc2C1 610953686 KIIGRJJENUUTPJ-UHFFFAOYSA-N 298.411 3.577 30 20 CHED CC(C)C[C@H](C#N)NC(=O)[C@H](C)Cc1ccccc1Cl 611082067 GXRMZTSKTHAJBS-TZMCWYRMSA-N 292.810 3.573 30 20 CHED Cc1ccnc(N2CC[C@@H](C)C[C@@H]2c2ccco2)c1C#N 612085309 ZGMOFLRJWTXWHB-IUODEOHRSA-N 281.359 3.832 30 20 CHED C=CCCN(C)C(=O)c1cc(Br)cc(C)c1C 613842881 YKFWBVKMIQXVIW-UHFFFAOYSA-N 296.208 3.714 30 20 CHED C=CCCCNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 614211059 YPBSHNXMIMSEEM-IAGOWNOFSA-N 271.404 3.728 30 20 CHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 617778923 RCBRUNOHEDJKKO-CHWSQXEVSA-N 271.351 3.627 30 20 CHED C=CCC1(NC(=O)c2cc(COC)cs2)CCCC1 619111863 KAYJEFIHHIZUPR-UHFFFAOYSA-N 279.405 3.513 30 20 CHED Cc1oc(C#N)cc1C(=O)NC1(c2ccccc2)CCCC1 619551153 DRRZQIZMEWNYSP-UHFFFAOYSA-N 294.354 3.659 30 20 CHED CC(C)C(C)(C)C(=O)NCc1ccc(C#N)c(Cl)c1 619765145 YFHWEPUQUGVYOD-UHFFFAOYSA-N 278.783 3.510 30 20 CHED C=CCNC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 621380575 QQLGMVCGQCFURB-CYBMUJFWSA-N 264.369 3.647 30 20 CHED C=CCOc1c(Cl)cc(CNCC2(C)CC2)cc1OC 623439230 APPWVNUMNXNMIY-UHFFFAOYSA-N 295.810 3.803 30 20 CHED C=CCOc1ccc(CNc2ccn(CC)n2)cc1Cl 657615329 BTRUGWUCZMJLMY-UHFFFAOYSA-N 291.782 3.733 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCCc1nc(C)cs1 657836224 SZCDXKDXWJOSMF-UONOGXRCSA-N 264.438 3.719 30 20 CHED C=C(CNC(=O)c1cccc(C)c1C)c1ccccc1 672482890 XGJYKMAVKDDOSE-UHFFFAOYSA-N 265.356 3.747 30 20 CHED CCCCCC(=O)Nc1ccc(Cl)cc1C#N 695684596 IDKJVASHBQFRMN-UHFFFAOYSA-N 250.729 3.730 30 20 CHED COc1cccc(NN=C(C)Cc2ccccc2OC)c1 725853427 QZQWDBSNURNHDK-UHFFFAOYSA-N 284.359 3.734 30 20 CHED C=CCCOC(=O)/C=C/c1ccccc1OC(F)(F)F 729072840 YZAONYSVQOSKAA-CMDGGOBGSA-N 286.249 3.718 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C\c1ccsc1 729433346 PLDBPOCYRVPLLW-SREVYHEPSA-N 290.432 3.940 30 20 CHED Cc1ccc(/C=C\C(=O)c2c(C#N)c3n(c2C)CCC3)s1 730086026 XMZMFWSAMUVKDG-FPLPWBNLSA-N 296.395 3.880 30 20 CHED Cc1cccc(/C=C/C(=O)c2ccc(O)cc2)c1C 731155555 KLUVLLCSDICZAV-DHZHZOJOSA-N 252.313 3.905 30 20 CHED C=CC1CCN(C(=S)N[C@@H](C)c2cccs2)CC1 731942045 FJOVKVYXETYDNX-NSHDSACASA-N 280.462 3.582 30 20 CHED N#Cc1cnc(Nc2ccn(-c3ccccc3)n2)c(Cl)c1 734141983 XMJCTJYQJYZCCA-UHFFFAOYSA-N 295.733 3.536 30 20 CHED C=CCCCOC(=O)c1c(-c2ccccc2)noc1C 735524905 ZDMZMOMMBVPMDZ-UHFFFAOYSA-N 271.316 3.773 30 20 CHED CC(C)(C)CC(=NNc1cccnn1)c1ccccc1 735973855 UIPZBDJXWPWHJW-UHFFFAOYSA-N 268.364 3.729 30 20 CHED C=C(Cl)CNC(=O)Nc1ccc(N(C)CCCC)cc1 736977993 YEXCYMSMWNOLLG-UHFFFAOYSA-N 295.814 3.797 30 20 CHED C=C(Cl)CNC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 738477877 UVOWUEOLPNGGTO-UONOGXRCSA-N 292.810 3.635 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 741843705 LDQBQNDSMSVZRG-HPHCMBEUSA-N 273.376 3.789 30 20 CHED C=C(CNCc1c(Cl)nc2ccccn12)c1ccccc1 742718591 QRWWAADBUPSTSP-UHFFFAOYSA-N 297.789 3.791 30 20 CHED C=C(Cl)COC(=O)CCOc1ccc(C(C)C)cc1 743012285 QYQRFQCUBFVDDO-UHFFFAOYSA-N 282.767 3.875 30 20 CHED C=CCOc1ccc(C(=O)Oc2cccc3[nH]ccc23)cc1 744273962 SWFTZIRHNQLRPV-UHFFFAOYSA-N 293.322 3.952 30 20 CHED C=C(C)CCOC(=O)c1nc(-c2ccccc2)oc1C 744303412 ZUVIAOPERCHYSL-UHFFFAOYSA-N 271.316 3.773 30 20 CHED N#Cc1ccc(F)c(CN[C@H]2CCc3c(F)cccc32)c1 747815059 AICCBCZXEQHSTF-KRWDZBQOSA-N 284.309 3.614 30 20 CHED Oc1ccc(Cl)cc1/C=N/Cc1ccc2c(c1)CCO2 750949658 GZNBZUIXTWBVOS-VCHYOVAHSA-N 287.746 3.600 30 20 CHED Cc1cc(C)c(NN=Cc2cnc(N(C)C)s2)c(C)c1 755749194 GDBLNVKSJSVPFU-UHFFFAOYSA-N 288.420 3.580 30 20 CHED CC(C)(C(=O)OCc1ccc(C#N)cc1)C1CCCC1 757842269 QRFAIFXQKSRMKP-UHFFFAOYSA-N 271.360 3.818 30 20 CHED C#CC[C@H](NC(=O)Nc1ccc(C)nc1C)c1ccccc1 757896657 UUAIMSLXHQWYNA-KRWDZBQOSA-N 293.370 3.585 30 20 CHED C#CCCCC(=O)Nc1cnn(-c2ccccc2)c1CCC 759083236 FODHKNVLBQRUOV-UHFFFAOYSA-N 295.386 3.567 30 20 CHED CCc1ccc(CCNc2ccc(F)cc2OCC#N)cc1 760459425 YMJVDIGJOHCTMO-UHFFFAOYSA-N 298.361 3.945 30 20 CHED OC1CCC(=NN=C2c3ccccc3-c3ccccc32)CC1 761786925 SWDLOBRJVVEWCE-UHFFFAOYSA-N 290.366 3.795 30 20 CHED Fc1ccccc1CCNN=Cc1ccccc1Cl 764716691 JSGQGRWYYKNCKO-UHFFFAOYSA-N 276.742 3.645 30 20 CHED C#CCCCN1CCC(c2ccc(F)c(F)c2)CC1 766895656 OJNOQLXYCWFGDF-UHFFFAOYSA-N 263.331 3.558 30 20 CHED C/C=C(/C=C/C(=O)OCc1cccc(C#N)c1)CC 767664486 ZKIRSKUEBQTLBA-PPIIYGQDSA-N 255.317 3.514 30 20 CHED C(=NNCc1ccccc1)c1cccc(-c2cccnc2)c1 768481612 CYEROYFROJAHEL-UHFFFAOYSA-N 287.366 3.872 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1sccc1C 769829941 VNJBZDYPFIAOAQ-UHFFFAOYSA-N 293.323 3.940 30 20 CHED COc1cc(C(C)=NNc2c(C)cccc2F)ccc1O 769840404 JTFQBFOJMDOKQK-UHFFFAOYSA-N 288.322 3.684 30 20 CHED CCCC(CCc1ccccc1)=NNC[C@H](C)C#N 771105531 ZYUKVCQNXWAVFU-CQSZACIVSA-N 257.381 3.525 30 20 CHED Fc1cc(C=NNc2ccccn2)cc(C(F)(F)F)c1 772836860 JBBSXRWKKFLBNF-UHFFFAOYSA-N 283.228 3.686 30 20 CHED COC(=O)c1coc(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)c1 774134693 MTVHJBPUTABXLZ-UXYFDLPDSA-N 296.322 3.758 30 20 CHED Cc1cc(C)cc(C(=O)/C=C/c2cccc(C(=O)O)c2)c1 774137011 DPLXSYUPQJFUPD-VOTSOKGWSA-N 280.323 3.898 30 20 CHED CCOCCON=C(C)c1cc2cccc(OCC)c2o1 774416558 IWZQIFLBCPKAOR-UHFFFAOYSA-N 291.347 3.609 30 20 CHED CC(C)CC[C@@H]1CCCC1=NOC1CCOCC1 774439540 ACRASSAYZOMGCH-ZDUSSCGKSA-N 253.386 3.774 30 20 CHED N#C[C@@H](OC(=O)c1ccc(F)c(F)c1F)C1CCCCC1 776396735 JPEWIZIKRGJKQB-GFCCVEGCSA-N 297.276 3.733 30 20 CHED Cc1ccc(-c2nc(C=NOCCC(F)(F)F)co2)cc1 777455876 NJGLDEPTAJXUCM-UHFFFAOYSA-N 298.264 3.953 30 20 CHED COC[C@H](C)NN=Cc1ccc(-c2ccc(Cl)cc2)o1 777902661 LHBSQLYKSBPOHU-NSHDSACASA-N 292.766 3.558 30 20 CHED C=CC[C@@H](N[C@H](C)C1CCSCC1)c1ccncc1 779023645 HMIOHYNOIQDSMD-CZUORRHYSA-N 276.449 3.820 30 20 CHED CC1(C)CC(=NN[C@H]2CCOC(C)(C)C2)c2ccoc2C1 780240372 CADIJWPHOHCRGX-LBPRGKRZSA-N 290.407 3.503 30 20 CHED C#CCCCCN[C@@H]1CC[C@H](Cc2ccccc2)C1 780535751 HBKYGGZRILGNRG-QZTJIDSGSA-N 255.405 3.791 30 20 CHED Fc1cc(NN=C2CCc3c(Cl)cccc32)ccn1 781132930 RSNBFTAZSCFODB-UHFFFAOYSA-N 275.714 3.637 30 20 CHED CSCc1cccc(C/N=C/c2cccc(O)c2O)c1 782193596 AJCGFPGZWHNYJF-LICLKQGHSA-N 287.384 3.580 30 20 CHED C#CC[C@H](OC(=O)c1cc2cccc(F)c2o1)C1CC1 783110564 MWMVPPQCLXLVTJ-ZDUSSCGKSA-N 272.275 3.531 30 20 CHED C[C@]1(C#N)CCCN(C(=S)Nc2ccccc2Cl)C1 783773035 JVICWNDISXYKGH-CQSZACIVSA-N 293.823 3.662 30 20 CHED C[C@H]1CCCC[C@@H]1C=Nn1c(S)nnc1C(C)(C)C 783800250 PDWBAYLQJLZDET-WDEREUQCSA-N 280.441 3.525 30 20 CHED COc1cccc(C=NNC2CCCCC2)c1OC(F)F 786043342 NEALOICYHNTNHP-UHFFFAOYSA-N 298.333 3.553 30 20 CHED C=CCCN(C)c1nc(-c2ccncc2)nc2ccccc12 786083114 LMVUEHFVAPALGI-UHFFFAOYSA-N 290.370 3.704 30 20 CHED CCc1c(C(C)=NOC[C@@H]2CCOC2)oc2ccccc12 788033172 GERHYSROSQEMGR-CYBMUJFWSA-N 287.359 3.772 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H](CC)C2)CCCCC1 788155200 LCYNAGPXALREQG-OAHLLOKOSA-N 261.409 3.609 30 20 CHED Cc1ccccc1C1(C(=O)OCC2(C#N)CCC2)CCC1 788370719 WEPXZSXXLAREIJ-UHFFFAOYSA-N 283.371 3.654 30 20 CHED C#CCC1(C(=O)N2CCC[C@@H](C)[C@H]2C)CCCCC1 788447591 IQVYXTLJNZZGIG-HUUCEWRRSA-N 261.409 3.607 30 20 CHED C=C(Cl)CNC1CCC(N(C)Cc2ccccc2)CC1 788647530 VMWBMZUNTGIFQT-UHFFFAOYSA-N 292.854 3.772 30 20 CHED CC(C)[C@H]1CC[C@@H](C)CC1=NNCCc1ccccn1 789112161 CLHAQPFCJJSSAL-GDBMZVCRSA-N 273.424 3.662 30 20 CHED C[C@@H]1CC[C@H](OC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 790975804 SSGDWGVGKBXNDC-RISCZKNCSA-N 296.326 3.559 30 20 CHED Cn1nccc1[C@H]1CCCC(=NNCC2(C)CCCC2)C1 793085047 VZKWGXKNIOLDQO-AWEZNQCLSA-N 288.439 3.604 30 20 CHED CC1(CNN=Cc2cnc(C3CCC3)s2)CCCC1 793089163 FDKJMBKXBVWCCW-UHFFFAOYSA-N 277.437 3.914 30 20 CHED C[C@@H](NN=Cc1cn(CCC#N)c2ccccc12)C(C)(C)C 793117691 XURVQZAATFVETD-CQSZACIVSA-N 296.418 3.913 30 20 CHED C[C@@H]1CCCC(=NNc2cccc(Cl)n2)[C@@H]1C 793174964 OWWFAYYPGBWHMJ-NXEZZACHSA-N 251.761 3.959 30 20 CHED C=CCCCCC[C@@H](C)NCc1nnc2n1CCCCC2 793517375 NAGXBXSJZMMQBL-OAHLLOKOSA-N 290.455 3.619 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H](C)c1ccc(C)s1 798386454 RNVSVBKFQXZWQW-RYUDHWBXSA-N 266.410 3.771 30 20 CHED N#Cc1ccc(O)c(NC(=O)c2cccc(C3CCC3)c2)c1 798985591 QCIOSWMAINRGQR-UHFFFAOYSA-N 292.338 3.784 30 20 CHED C#C[C@@H](CCC)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 799001482 OSPHMIVTTRIGLV-RISCZKNCSA-N 297.320 3.727 30 20 CHED COc1ccccc1CON=C(C)c1ccc(F)c(F)c1 799117191 JTJPWYZSFGRTMG-UHFFFAOYSA-N 291.297 3.914 30 20 CHED COc1cccc(C=NNc2cccc(C)c2)c1F 799864047 JGININPDQSDIEI-UHFFFAOYSA-N 258.296 3.589 30 20 CHED COCC[C@H]1CCCC1=NNc1ccc(Cl)c(OC)c1 799887165 PEIQWXMIALJVIO-LLVKDONJSA-N 296.798 3.953 30 20 CHED C[C@H](C=NNc1cccc(F)c1[N+](=O)[O-])C(C)(C)C 800817913 ZJTURDHTMWLZTG-SECBINFHSA-N 267.304 3.814 30 20 CHED C[C@@H](C#N)OCCN(C1CC1)[C@@H](C)c1ccc(Cl)cc1 801930394 OPTQHGQKPZCTSN-STQMWFEESA-N 292.810 3.794 30 20 CHED COc1ccc(Cl)cc1CSCCO[C@@H](C)C#N 802749491 DYPIFIUNMYHGRS-JTQLQIEISA-N 285.796 3.510 30 20 CHED N#CCCCCCC(=O)OCc1sccc1Cl 805938199 VZJBNEDCXBCNEN-UHFFFAOYSA-N 271.769 3.919 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccc(-c2ccccc2)cc1F 806200147 XRZBIWGAQHLDIT-LBPRGKRZSA-N 282.318 3.636 30 20 CHED C=CCCCCCCNC(=O)Nc1cc(C)ns1 806327113 BCMARVFENWIPCC-UHFFFAOYSA-N 267.398 3.710 30 20 CHED N#CCCCCCC(=O)Oc1cccc2ncccc12 808231676 CRMCTDWPIGAYPY-UHFFFAOYSA-N 268.316 3.614 30 20 CHED C=C(Cl)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 808793639 NVCFXUFMXMFWPS-AOOOYVTPSA-N 255.711 3.792 30 20 CHED C#Cc1ccc(CNc2cc(C)cc(CN(C)C)c2)cc1 809597535 SNADJNABMGXMJT-UHFFFAOYSA-N 278.399 3.650 30 20 CHED C#C[C@H](NC1CC(C)C1)c1ccc(Cl)cc1F 809698803 JFSXWSGYPWYJAK-IUVQJJGASA-N 251.732 3.542 30 20 CHED C#CCCCNC(=O)Nc1ccc(-c2ccccc2)c(C)n1 810274353 QNMRFIUEAFVMCU-UHFFFAOYSA-N 293.370 3.592 30 20 CHED C=CCCCCOC(=O)CCCc1csc(C)n1 811013347 QYZVIFGSTXYTIB-UHFFFAOYSA-N 267.394 3.674 30 20 CHED CC(=NNC[C@H]1CCSC1)c1cc(C)c(C)cc1C 811662085 BPIRGILBYKRCOL-OAHLLOKOSA-N 276.449 3.679 30 20 CHED FC(F)(F)[C@@H]1CCCC(=NOC/C=C\Cl)C1 811668552 PRNMSBNHOYYVPY-YIAIPGLGSA-N 255.667 3.864 30 20 CHED N#Cc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)s1 811692858 IQGBGVYGGYSESV-XQRVVYSFSA-N 282.299 3.527 30 20 CHED C#C[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc(Cl)cc1 811944752 IYJCPGOTSPIAOW-LSDHHAIUSA-N 287.790 3.711 30 20 CHED CCCOc1c(C=NOC2CCC2)cccc1OCC 812235973 TWNBLOUBVQUZBS-UHFFFAOYSA-N 277.364 3.777 30 20 CHED CC(C)OCCON=C1CC[C@](C)(c2ccccc2)C1 812239459 UPPPPVOATPCUAT-KRWDZBQOSA-N 275.392 3.926 30 20 CHED Cc1ccccc1C(=O)/C=C\c1cn(C)nc1C(F)F 812239971 HZAHJKOVJHXOON-FPLPWBNLSA-N 276.286 3.562 30 20 CHED C(=NOCC1CC1)c1nc(-c2ccccc2)cs1 814243411 URPYOUQIYYLWKJ-UHFFFAOYSA-N 258.346 3.571 30 20 CHED CC[C@@H](C#N)OC(=O)c1c(C)ccc(Br)c1C 814501948 VKWOVGPERWQFHV-JTQLQIEISA-N 296.164 3.525 30 20 CHED c1ccc(C[C@@H]2CCC(=NOC3CCOCC3)C2)cc1 814907352 GCUTXCMAWRPTCG-HNNXBMFYSA-N 273.376 3.581 30 20 CHED C1CCC([C@@H]2CCCCC2=NN[C@@H]2CCCOC2)CC1 814909108 WSPSKSJCIZZDSY-CVEARBPZSA-N 278.440 3.882 30 20 CHED COc1ccc(NN=C2CCCC23CCCC3)nc1 814909719 PNRXMLIHQZNQJG-UHFFFAOYSA-N 259.353 3.602 30 20 CHED Fc1ccc(F)c(C=NNc2ccc(F)c(F)c2F)c1 814946422 MNTVTVVLGHVOMS-UHFFFAOYSA-N 286.203 3.828 30 20 CHED CCOc1ccc(NN=Cc2ccccc2C)cc1 814984822 JZGYEHPRERNXAX-UHFFFAOYSA-N 254.333 3.840 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccccc1-c1ncc(C)[nH]1 815831458 IXPMLVKSIUOAHQ-UHFFFAOYSA-N 291.301 3.535 30 20 CHED CCCCCCCCCC(=O)N(C)[C@@H]1CC(C)(C)OC1=O 817069987 UOHCMSKOIHXTTF-CQSZACIVSA-N 297.439 3.680 30 20 CHED C[C@@H](C#N)Oc1ccc(CNC[C@H]2C[C@H]3C=C[C@H]2CC3)cc1 817410114 JYULIGQKPYNNLD-UOVPBQLFSA-N 296.414 3.669 30 20 CHED CCCCCCCCC(=O)NCc1cc(C)ccn1 818435053 NTMUXHDLZQNCAD-UHFFFAOYSA-N 262.397 3.757 30 20 CHED COc1cc(C#N)ccc1OC(=O)OCC1CCCCC1 820768467 RDPSSCXCWMHTLQ-UHFFFAOYSA-N 289.331 3.663 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)CCCc1cccnc1 822372709 ASRYXKAHTIQXRY-HUUCEWRRSA-N 274.408 3.511 30 20 CHED CCCCOc1ccc(NC(=O)C#CC(C)C)c(C)c1 823129976 CPAOESICKLMZET-UHFFFAOYSA-N 273.376 3.772 30 20 CHED C=CCCC[C@@H](C)NCc1ccnc(Cl)c1F 824074055 RIKYHXUHIQEMPD-SNVBAGLBSA-N 256.752 3.709 30 20 CHED C=CCCCCC[C@@H](C)NCc1nc(C(C)C)n[nH]1 824603144 LITSJBZDNNUCKN-CYBMUJFWSA-N 264.417 3.543 30 20 CHED CC(C)C#CC(=O)Nc1cccc(Cl)c1OC(C)C 828137849 VLAIJSCYOOBBRV-UHFFFAOYSA-N 279.767 3.725 30 20 CHED C[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1cccc(C#N)c1 828674764 GXZDCEXYOUCORZ-MFKMUULPSA-N 283.202 3.793 30 20 CHED C[C@@]1(C(=O)OCc2ccc(C#N)cc2)CCc2ccccc21 830269970 FKSSGVQYQKLOND-LJQANCHMSA-N 291.350 3.506 30 20 CHED C[C@H](NN=Cc1cc2cc(Cl)cnc2o1)C(C)(C)C 834981561 SHVJEEXGTXEHFO-VIFPVBQESA-N 279.771 3.839 30 20 CHED C[C@@H]1CCC[C@@]1(C)C(=O)OC[C@@H](C#N)Cc1cccs1 835260645 JGUWWLMSCKFIGC-XJKCOSOUSA-N 291.416 3.800 30 20 CHED C=CCCCCCCNC(=O)N1CC[C@@H](OC)C(C)(C)C1 836456111 GBCVGHHAMUQVAD-OAHLLOKOSA-N 296.455 3.579 30 20 CHED O=C(C#CC1CC1)N(Cc1ccccc1)Cc1ccccc1 837327774 UPPGNBDNJVXQIJ-UHFFFAOYSA-N 289.378 3.629 30 20 CHED CC(C)(C)C#CC(=O)N1CC(C)(C)[C@H]1c1ccccc1 837364270 VGVYVDRAOMLYHA-MRXNPFEDSA-N 269.388 3.646 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)N(C(=O)C#CC(C)(C)C)C1 837643050 KUEXUWRROGNOBW-HOCLYGCPSA-N 269.388 3.646 30 20 CHED C#Cc1ccc(C(=O)N(C(C)C)[C@H](C)c2ccccc2)nc1 839363969 BNKWPWWXIQKWRV-OAHLLOKOSA-N 292.382 3.675 30 20 CHED N#CC1(CCOC(=O)c2ccc(F)cc2F)CCCCC1 840010536 HRAHQYMRGVDRHX-UHFFFAOYSA-N 293.313 3.986 30 20 CHED CC(C)[C@@H](SCCC#N)C(=O)NC1CCCCCCC1 840211545 DXMXDGBHFWZPJN-OAHLLOKOSA-N 296.480 3.887 30 20 CHED Cc1cc(N2CCC3(CCCC3)C2)c(C#N)cc1[N+](=O)[O-] 840271773 YMJYKVJQUGWDSQ-UHFFFAOYSA-N 285.347 3.545 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)[C@@H]1CCSc2ccccc21 842333861 NJSLQKQNCIGMBS-OCCSQVGLSA-N 289.400 3.747 30 20 CHED C=C(C)CONC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 845607475 RHSNBMWJNIXRTD-HOTGVXAUSA-N 288.391 3.520 30 20 CHED CC[C@@H](COC(=O)c1cccc(F)c1C#N)CC(F)F 845762540 KKPCZMULVUPYOD-SECBINFHSA-N 285.265 3.536 30 20 CHED N#CCC1(COC(=O)CCCc2c(F)cccc2F)CC1 847654550 RCYBZCCSROWZJZ-UHFFFAOYSA-N 293.313 3.525 30 20 CHED CC(C)(C)[C@@H](C#N)OC(=O)CCCc1ccc(F)cc1 847678288 DNYKZZACFJWMBO-CQSZACIVSA-N 277.339 3.630 30 20 CHED C=C(C)CNC(=S)Nc1ccc(Cl)c(C)c1 848654884 NRXBJQXXNYTUNW-UHFFFAOYSA-N 254.786 3.511 30 20 CHED Cn1ncc(C2CC2)c1/C=C1\CCCc2ccccc2C1=O 849240096 FHGQCRWUAOYTSO-RVDMUPIBSA-N 292.382 3.900 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(C(C)(C)C#N)cc1 851204326 OPWNDYRYZHAVBN-ZDUSSCGKSA-N 298.386 3.973 30 20 CHED CC(C)N(C[C@@H](O)c1ccc(C#N)cc1)c1cccc(F)c1 852653834 BHHGMPAUAAEMEB-GOSISDBHSA-N 298.361 3.646 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1cncc(Br)c1 853350890 YEOVGUKGAOYDOJ-SNVBAGLBSA-N 298.228 3.592 30 20 CHED C[C@H]1CCCCN1N=Cc1cc(Br)cs1 853379314 NHEYSPHIKYUIBV-VIFPVBQESA-N 287.226 3.719 30 20 CHED CC(C)Cc1ccccc1C(=O)N1CCC[C@@H](CC#N)C1 855257269 YSWYHJCDXRJCSV-HNNXBMFYSA-N 284.403 3.651 30 20 CHED CCCCCCCCC(=O)NCC1SCCS1 856168132 VZXWZKKGGUGNAL-UHFFFAOYSA-N 275.483 3.659 30 20 CHED C=CC[C@H](C)NC(=O)N[C@H]1CCc2ccc(Cl)cc21 858230410 XTWIPXRXVIDODY-HZMBPMFUSA-N 278.783 3.591 30 20 CHED C#CCCOC(=O)N[C@@H](CC(C)C)c1ccccc1 858883048 ZHIZELLIRSQXEP-HNNXBMFYSA-N 259.349 3.523 30 20 CHED CC[C@@H](C)c1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 863197879 YFQDPZRKPDAEHO-ZQNFCJTASA-N 268.360 3.830 30 20 CHED Fc1ccc(C=NNCc2ccc(Cl)cc2)cc1 864026947 NIJUACVWFPPFKM-UHFFFAOYSA-N 262.715 3.603 30 20 CHED C=C(C)C[C@H](NCc1cccc(Cl)c1Cl)C(=O)O 864530683 JYQCWLVXIHUVIR-NSHDSACASA-N 288.174 3.502 30 20 CHED CS[C@H]1C[C@@H](OC(=O)C[C@@H](CC#N)c2ccccc2)C1 870579373 HBPJLQQPBYSFTJ-KFWWJZLASA-N 289.400 3.511 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc2nccnc2c1 871656203 YZXIJJRTHVZHIF-VQHVLOKHSA-N 274.323 3.834 30 20 CHED CC[C@@H]1c2ccccc2CN1C(=O)CCCCCC#N 890612780 ATEFNBWFSVOBIN-MRXNPFEDSA-N 270.376 3.954 30 20 CHED C=CCCC[C@@H](NCc1cccc(CCC)c1)C(=O)O 900068636 MIZXSIGXMDEBLU-MRXNPFEDSA-N 275.392 3.538 30 20 CHED Cc1cc(C(=O)N(O)Cc2ccc(F)cc2)cc(C)c1F 901374258 HOQALZWANNBNAU-UHFFFAOYSA-N 291.297 3.613 30 20 CHED Cc1nc(/C=C2\CCCc3cc(C#N)ccc3C2=O)[nH]c1C 901523038 BMHCWNQYEQDNJF-OQLLNIDSSA-N 291.354 3.501 30 20 CHED C[C@H]1CCN(C(=O)c2ccsc2C#N)c2ccccc21 902594619 CQNCKXUXAGMZRX-NSHDSACASA-N 282.368 3.774 30 20 CHED CC[C@@H](NCCc1nc(C)c(C)s1)c1cccc(C#N)c1 902842781 IEDYMFZVEZTWHL-MRXNPFEDSA-N 299.443 3.915 30 20 CHED C[C@H](NC(=O)c1ccsc1C#N)[C@@H](C)c1ccccc1 906884908 FOMBUHZZLWBTIB-NEPJUHHUSA-N 284.384 3.542 30 20 CHED N#CC1(CCCCOC(=O)c2cccc3c[nH]nc23)CCC1 908844634 OYNFNJWYAHMDQI-UHFFFAOYSA-N 297.358 3.584 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2-c2cc[nH]n2)CC1 911942305 AARLEAAERYBNBV-UHFFFAOYSA-N 281.359 3.762 30 20 CHED CCCCCCCCCNC(=O)NC1CCN(CC)CC1 915689626 WDPCPOVPSBRMPD-UHFFFAOYSA-N 297.487 3.521 30 20 CHED C(=NNc1ccccn1)c1ccc(N2CCCCC2)s1 916273914 WEMDIIPMTWKJFC-UHFFFAOYSA-N 286.404 3.579 30 20 CHED N#CCc1cccc(NCc2ccc3c(c2)CCCO3)c1 922166799 JRIWZAYNSUPQNG-UHFFFAOYSA-N 278.355 3.690 30 20 CHED C[C@@H](NC(=O)N1CCC[C@H](C#N)C1)c1cccc(C2CC2)c1 922643755 BYNXZKFPJDZUJC-ZIAGYGMSSA-N 297.402 3.570 30 20 CHED N#C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 928231260 XGFOOOKKFKIEIM-HNNXBMFYSA-N 290.366 3.729 30 20 CHED CC1(CCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 932179509 DXPWJQOAAWSBSZ-CYBMUJFWSA-N 276.767 3.601 30 20 CHED C=C[C@H](CC)CC(=O)N[C@](C)(C#N)CCc1ccccc1 932438120 HSEQVOHPBMGATJ-QAPCUYQASA-N 284.403 3.620 30 20 CHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F 1116912134 ZWIFCJYZIYUTBA-NHCYSSNCSA-N 298.308 3.770 30 20 CHED N#Cc1sccc1C(=O)O[C@@H]1CCc2ccc(F)cc21 1126639276 QMJOSHSPDSAANQ-CYBMUJFWSA-N 287.315 3.603 30 20 CHED CCOc1ccc(C#N)cc1N[C@@H]1CCc2ccccc2C1 1180742732 ZJOYXDIKQZPVKU-QGZVFWFLSA-N 292.382 3.926 30 20 CHED Cc1cc(Sc2cc(F)ccc2F)ncc1C#N 1184650992 SFRBSZXZGYIZJE-UHFFFAOYSA-N 262.284 3.691 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC2CCCCCC2)c1 1191277575 MLKAQYRUCBPXIH-UHFFFAOYSA-N 271.364 3.711 30 20 CHED N#Cc1cc(F)cc(NC(=O)Nc2cccc3[nH]ccc23)c1 1219799217 JINMHBUFRXWMOE-UHFFFAOYSA-N 294.289 3.823 30 20 CHED CC[C@@H](C)[C@H](C)c1nnc(COc2ccc(C#N)cc2)o1 1261426640 XHQLMVIIIIXSNB-NEPJUHHUSA-N 285.347 3.670 30 20 CHED N#CCc1cccc(N2CCC[C@@H]2/C=C/c2ccccc2)n1 1262366872 ZIBVNGSYVKTCHW-IENJSVCTSA-N 289.382 3.830 30 20 CHED N#CC[C@@H](OC(=O)[C@@H]1CCc2ccccc2C1)c1ccco1 1263660541 IZEJNMBHURFRRK-NVXWUHKLSA-N 295.338 3.583 30 20 CHED Cc1c(Cl)cnc(N2CC[C@H]3CCCC[C@@H]3C2)c1C#N 1320030155 POOMDFRAGFJDPO-CHWSQXEVSA-N 289.810 3.932 30 20 CHED C=C[C@H](COC)N[C@@H](CC)c1cccc(Cl)c1 1320306121 MNMINUIINSOJFS-KGLIPLIRSA-N 253.773 3.582 30 20 CHED CC(=NNc1ccn(C)n1)c1ccc(-c2ccccc2)cc1 1321824886 DUQHHQQDUMKYIH-UHFFFAOYSA-N 290.370 3.923 30 20 CHED Cc1ccc(CC2CCN(c3ncccc3C#N)CC2)cc1 1323682656 YUSXPJCHEYPMMV-UHFFFAOYSA-N 291.398 3.721 30 20 CHED Cc1cc(C)c(C#N)c(NC2CCC3(CCOCC3)CC2)n1 1331661729 TVSLEOYFEAYLHR-UHFFFAOYSA-N 299.418 3.721 30 20 CHED C=CCC1(C(=O)N(C)c2cccc3c2CCCN3)CCC1 1335906220 KLTOEEYOSAJKGA-UHFFFAOYSA-N 284.403 3.754 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1cccc2c1CCCN2 1335931191 UILBEXVZZQSUDN-UHFFFAOYSA-N 272.392 3.610 30 20 CHED CC(C)c1nc(/C=C\c2cc(C#N)ccn2)c2ccccn12 1340087569 DGGHKCILLBIRFB-SREVYHEPSA-N 288.354 3.895 30 20 CHED C=CCn1c([C@@H](C)SC)nnc1N1CCCC[C@@H](C)C1 1340397918 ITRDSQDBQIQDHX-CHWSQXEVSA-N 294.468 3.515 30 20 CHED C#CCCCCCC(=O)NCc1cccc(C(F)F)c1 1343200304 IFEBPMKCEJNBDJ-UHFFFAOYSA-N 279.330 3.824 30 20 CHED CC1(C)CCC(C(=O)[C@H](C#N)c2cccc(F)n2)CC1 1347125833 XPFYIQMEUWINJL-GFCCVEGCSA-N 274.339 3.613 30 20 CHED C=C1CCN(c2cc(COC)nc3ccc(F)cc23)CC1 1347823263 ZHMMMUVTRPKYFI-UHFFFAOYSA-N 286.350 3.677 30 20 CHED C=C(CC(C)C)C(=O)N1CC2CC1(c1ccccc1)C2 1347842144 UZIRWDAAYZEBFG-UHFFFAOYSA-N 269.388 3.736 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc2ccsc2[nH]1 1353907329 XZIKFSDZOFFERZ-LBPRGKRZSA-N 274.389 3.800 30 20 CHED N#Cc1cc(C(=O)NCc2cc3ccccc3s2)cs1 1436486947 KVFKYMURBISMPV-UHFFFAOYSA-N 298.392 3.764 30 20 CHED Cc1cc(C)cc(C[C@H](C)Nc2nccc(C)c2C#N)c1 1458208532 LUGRDNLKZYZQRM-HNNXBMFYSA-N 279.387 3.922 30 20 CHED CC1(C)CCC(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 1461919514 VEWAOGQKRHESDM-UHFFFAOYSA-N 296.374 3.589 30 20 CHED Cc1ccnc(NC[C@H]2CCCC(C)(C)C2)c1C#N 1472807708 RPUVAVHAXKPKDH-ZDUSSCGKSA-N 257.381 3.890 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)c1ccc(F)cc1 1473112001 WRQYRFPPANVBCX-UHFFFAOYSA-N 274.726 3.987 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(Cl)cc1 1521701073 BUPUCKYYXCJCLN-UHFFFAOYSA-N 298.729 3.667 30 20 CHED C=CCC[C@H](OC(=O)c1nccc2occc12)C1CC1 1524756027 OPSXSWJNOJLRHT-ZDUSSCGKSA-N 271.316 3.729 30 20 CHED N#Cc1cccc(NC(=O)c2ccccc2-c2ccccc2)n1 1526553275 WMTLSRLAZCPOEF-UHFFFAOYSA-N 299.333 3.873 30 20 CHED CSc1cc(C)ccc1NC(=O)c1cccc(C#N)c1 1528853820 MPYQSVJADSUSTR-UHFFFAOYSA-N 282.368 3.841 30 20 CHED N#CC[C@H](CC(=O)Nc1cncc(Cl)c1)c1ccccc1 1534999563 JYUUMABZLFSXCU-CYBMUJFWSA-N 299.761 3.761 30 20 CHED Cc1ccc(CN(C)C(=O)c2cccc(F)c2C#N)cc1C 1570328561 WFWNZHAOXHQGJR-UHFFFAOYSA-N 296.345 3.586 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1nc(C)cc(C)c1C#N 1587096569 OENGPVPZODGVLT-UHFFFAOYSA-N 297.333 3.524 30 20 CHED CC(C)(C)ON=C1CCC[C@@H](CCCC(=O)O)C1 1590399153 XSNJNCFCUAVIAV-NSHDSACASA-N 255.358 3.603 30 20 CHED CC(C)C1CC(=NNc2ccc(C(=O)O)c(Cl)c2)C1 1591067987 PRTVTKHYFPANJG-UHFFFAOYSA-N 280.755 3.872 30 20 CHED C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)c(F)c1 1596288407 DWRGVEYFUJKGNB-NEPJUHHUSA-N 274.339 3.852 30 20 CHED O=C(O)c1coc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1602553820 MBCAJDSGVFWGTB-BQYQJAHWSA-N 296.322 3.753 30 20 CHED CCCC[C@H](S[C@H](C#N)CCc1ccccc1)C(=O)O 1605251402 RLFNZKDVHQOJKQ-GJZGRUSLSA-N 291.416 3.888 30 20 CHED Cc1cc(=NCC2(Cc3ccccc3)CCC2)c(C#N)c[nH]1 1639614492 MMKOAYALRQYTGQ-UHFFFAOYSA-N 291.398 3.509 30 20 CHED Cc1ccc(NC(=O)CSc2ccc(C#N)c(C)c2)cc1 1644029726 UYGBKWOWFXJGCF-UHFFFAOYSA-N 296.395 3.906 30 20 CHED Cc1cc(=N[C@H]2CCC[C@@H](C(C)C)CC2)c(C#N)c[nH]1 1650991444 RNQHSWRZFUTJIO-ZBFHGGJFSA-N 271.408 3.700 30 20 CHED CC(C)(C)c1cnc(SCc2cccc(C#N)c2)[nH]1 1652147069 HFQSDMUMLAIFOH-UHFFFAOYSA-N 271.389 3.871 30 20 CHED CC[C@H](c1ccccc1)N(CC)c1cc(C#N)nc(C)n1 1655055690 SITSLDAKKKXRGM-MRXNPFEDSA-N 280.375 3.634 30 20 CHED N#Cc1cnc(NC[C@H]2CCC[C@H]2C2CC2)c(Cl)c1 1655567174 OGQZIANLQJIMFM-OLZOCXBDSA-N 275.783 3.845 30 20 CHED COc1cc(CN(C)CCC2CCCCC2)ccc1C#N 1659002352 JJMCSWMCYNXHEK-UHFFFAOYSA-N 286.419 3.969 30 20 CHED CC(C)c1ccc(O)c(C=NNc2ccc(C(=O)O)cc2)c1 1776013825 RUKGBCVPOAXXTO-UHFFFAOYSA-N 298.342 3.660 30 20 CHED C=CCNC(=O)Nc1ccccc1SCC(F)(F)F 58884297 VTQTXDFPYTZYNC-UHFFFAOYSA-N 290.310 3.649 30 20 CHED C[C@H](CC1CCCC1)C(=O)N(C)Cc1ccc(C#N)cc1 114233020 SMRUAQYBDDRLDX-CQSZACIVSA-N 284.403 3.733 30 20 CHED C#Cc1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 55456107 JBMPRFDEVWRDFA-UHFFFAOYSA-N 294.335 3.637 30 20 CHED CC[C@@H](CNCc1cccc(C#N)c1)c1ccccc1 57623342 UANLDBGWSDYQQC-KRWDZBQOSA-N 264.372 3.842 30 20 CHED Cc1c(C#N)cccc1NC(=O)N(C)Cc1ccccc1F 178546626 FMNDBMFNHYMNGA-UHFFFAOYSA-N 297.333 3.670 30 20 CHED CC(C)[C@H](NC(=O)c1sccc1C#N)c1ccccc1 52029293 XKJVTFMRCMQVHW-AWEZNQCLSA-N 284.384 3.747 30 20 CHED Cc1nc(Oc2cncc(Cl)c2)c(Cl)cc1C#N 310741514 ATNSETOWDPLAMW-UHFFFAOYSA-N 280.114 3.756 30 20 CHED C=CC[C@H](C)NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 119126493 WWYDEOJPUIKSMN-NEPJUHHUSA-N 299.336 3.965 30 20 CHED C#CCCCCc1nc(-c2cccc(Cl)c2)no1 179623867 VUMWHRWAPHCTGS-UHFFFAOYSA-N 260.724 3.736 30 20 CHED CSc1ccc(C)c(C(=O)O[C@@H]2CC[C@H](C#N)C2)c1 179860975 LXMBCLSFSRRVGF-NWDGAFQWSA-N 275.373 3.566 30 20 CHED C=C[C@@H](CC(=O)N[C@H](C)c1ccccn1)c1ccccc1 179336846 NCJPNCZTBLHOSX-CABCVRRESA-N 280.371 3.619 30 20 CHED CCOc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1 58465400 BGVSBULJZMMVCS-JXMROGBWSA-N 284.359 3.759 30 20 CHED CCc1cccc2c(CCNc3cccc(C#N)n3)c[nH]c12 301264079 HCGYDCLNRRITFG-UHFFFAOYSA-N 290.370 3.652 30 20 CHED CC(C)(CC(=O)[C@@H](C#N)c1ccccn1)c1ccccc1 67798201 VAPQOECFSMQVDL-HNNXBMFYSA-N 278.355 3.626 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCc2c(Cl)cccc21 119706918 WGYMJEKKVSRHKL-OAHLLOKOSA-N 275.779 3.637 30 20 CHED C[C@@H](CC1CCCC1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1 114617979 PTKJPYOMNYFVEQ-BBRMVZONSA-N 298.386 3.550 30 20 CHED CCO[C@@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 301167048 IIJAUVGRASLRRW-GFCCVEGCSA-N 298.308 3.582 30 20 CHED C=CC[C@H](C)NC(=O)CCCc1ncc(-c2ccccc2)o1 116852054 ZHXJRVRTYMQQML-AWEZNQCLSA-N 298.386 3.745 30 20 CHED CCCc1sc(C(=O)N(C)C2(C#N)CCC2)cc1CC 66335685 JUWXGQIFLXWIDB-UHFFFAOYSA-N 290.432 3.781 30 20 CHED N#Cc1ccc([N+](=O)[O-])c(NC2CC(c3ccccc3)C2)c1 302222063 SPNPXJNYAGWFJS-UHFFFAOYSA-N 293.326 3.825 30 20 CHED CCCCCCCC(=O)NC[C@@H](O)c1ccccc1C 112399809 NGHIHCOXQGHAMD-MRXNPFEDSA-N 277.408 3.505 30 20 CHED N#Cc1ccc(NCCCc2ccc(Cl)cc2)nc1 301130895 RMLGBJQOPOMLTQ-UHFFFAOYSA-N 271.751 3.651 30 20 CHED Cc1ccccc1NC(=O)[C@H](C)Sc1ccccc1C#N 172679763 YQSNHIFKEJXIFM-ZDUSSCGKSA-N 296.395 3.986 30 20 CHED CCc1cc(C#N)c(NC(=O)[C@@H](C)c2ccccc2)s1 120951905 LMHASWXFWYOJJK-NSHDSACASA-N 284.384 3.924 30 20 CHED CCO[C@@H](CNc1ccc(C#N)cc1)c1ccccc1 302822924 KZGPTYMWBGPHHS-KRWDZBQOSA-N 266.344 3.748 30 20 CHED Cc1csc([C@H](NCc2ccccc2C#N)C2CC2)n1 179093473 REDNFWWQWFDPPG-OAHLLOKOSA-N 283.400 3.564 30 20 CHED CCc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1 182094879 XTTNEGUABIIMKH-CYBMUJFWSA-N 294.354 3.792 30 20 CHED C=C(C)[C@@H](Nc1cncc(C)n1)c1ccc(F)c(F)c1 302450072 SVLSORLOXZDFJZ-OAHLLOKOSA-N 275.302 3.793 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCCc2sccc21 188588538 HMRYCTWKTPXPQN-WFASDCNBSA-N 263.406 3.844 30 20 CHED CCOc1cccc(NC(=O)Nc2cccc(C#N)c2)c1 35804274 WJYDOJBIXIYHDE-UHFFFAOYSA-N 281.315 3.601 30 20 CHED C=C[C@@](C)(CC)C(=O)Oc1ccc(NC(=O)OCC)cc1 188331754 YLRXDYWRCRETNF-INIZCTEOSA-N 291.347 3.763 30 20 CHED Cc1ccc(-c2cncc(C(=O)OC(C)(C)C#N)c2)cc1 181820055 CHZVMZFPPMLEFS-UHFFFAOYSA-N 280.327 3.516 30 20 CHED CC[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1F 414160091 CJPRVRAIKSYSGD-CQSZACIVSA-N 266.335 3.945 30 20 CHED C=C(C)CN(CC)Cc1cc(=O)oc2cc(CC)ccc12 72553274 OCNLLXNDKDAMSV-UHFFFAOYSA-N 285.387 3.753 30 20 CHED C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccccc1C#N 76709094 GRUDWUXKEOSMKV-LBPRGKRZSA-N 282.318 3.515 30 20 CHED CC[C@H](NCc1ccc(F)cc1C#N)c1nc(C)cs1 184391943 QZQMYSIRVCMNIH-AWEZNQCLSA-N 289.379 3.703 30 20 CHED COc1ccc(Cl)c(COc2ccccc2C#N)c1 478553475 PFHDRKVEIVJFON-UHFFFAOYSA-N 273.719 3.799 30 20 CHED Cc1cc2cc(C(=O)O[C@H]3CC[C@@H](C#N)C3)oc2cc1C 187621745 FGXXFQQQLXUXER-OCCSQVGLSA-N 283.327 3.899 30 20 CHED C[C@@H](C#N)Oc1ccc(CN(C)c2ccccc2)cc1 180412992 RUBSMBJNYKXXSD-AWEZNQCLSA-N 266.344 3.614 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](Oc2ccccc2)C1 412713874 SOFTZMLAVVKNMP-WMZOPIPTSA-N 287.403 3.659 30 20 CHED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 185813500 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Cc1c(C(=O)OC(C)(C)C#N)oc2ccc(Cl)cc12 194481802 BJVAYNHPANRWNN-UHFFFAOYSA-N 277.707 3.854 30 20 CHED Cc1cc([C@@H](C)NCc2cccc(F)c2C#N)ccc1F 428344695 CJXNGVZMPNSJLM-GFCCVEGCSA-N 286.325 3.996 30 20 CHED CC[C@@H](C)C[C@H](C)NC(=O)CSc1ccc(C#N)cc1 80685802 VIXOOIKOLFFHQS-OLZOCXBDSA-N 290.432 3.591 30 20 CHED COCCOc1ccccc1/C=C/C(=O)c1ccsc1 83536018 VAEOPRYCVJQRDA-VOTSOKGWSA-N 288.368 3.669 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@@H](OCCC)CC1 131858513 MVZTWADYEJDQKA-MRXNPFEDSA-N 279.424 3.563 30 20 CHED C[C@@H](NCCSC(C)(C)C)c1ccc(C#N)cc1 266478171 PNYGCBGZIHSXLP-GFCCVEGCSA-N 262.422 3.741 30 20 CHED C[C@H]1CC[C@H](C(O)=Nc2cccc3c2C(O)=NC3)C1 329268634 ICMZXBJJTLIKIY-UWVGGRQHSA-N 258.321 3.529 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1coc(-c2ccccc2)n1 424693851 VCVOWNSROGQJOZ-UHFFFAOYSA-N 284.359 3.560 30 20 CHED C=C(C)CCc1noc(-c2ccccc2N(C)C(=O)CC)n1 420500996 GHJJWULLGUAINN-UHFFFAOYSA-N 299.374 3.618 30 20 CHED C[C@H](c1ccccc1F)N(C)C(=O)c1cccc(CC#N)c1 49653796 YCHVNLZREIDWTD-CYBMUJFWSA-N 296.345 3.725 30 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354566841 MTTGCHPAXJEBKM-UHFFFAOYSA-N 295.386 3.990 30 20 CHED CC(C)c1ccc(C2(CNC(=O)[C@H](C)C#N)CCCC2)cc1 609921842 JYWCDOGDDIDLNY-OAHLLOKOSA-N 298.430 3.898 30 20 CHED C=CCOc1ccc(C(=O)N(C)C(C)(C)CC)cc1OC 265388698 BIQDAXDFDBTCQF-UHFFFAOYSA-N 291.391 3.521 30 20 CHED C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(OC2CCCCC2)cc1 449874613 BRWWUZNPXGAGIU-FZKQIMNGSA-N 298.386 3.886 30 20 CHED Cc1cc(CSc2ccc(C#N)cn2)c(C)s1 357408530 KORNLENJDSMZQR-UHFFFAOYSA-N 260.387 3.924 30 20 CHED C=CCCCC[C@@H](C)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 449303807 ZBMOLUIDGPRTPZ-ZACQAIPSSA-N 292.467 3.502 30 20 CHED C=CCCCCCN(C)C(=O)C1(C(F)(F)F)CCC1 449914760 MSRYKQHXMXZCJM-UHFFFAOYSA-N 277.330 3.924 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(-c2ccccc2)on1 537234869 DBXBXXBBFTWQHQ-ZDUSSCGKSA-N 284.359 3.816 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(CC#N)cc2)c1 535390027 JLHMFGUVSOJNNQ-HNNXBMFYSA-N 292.382 3.861 30 20 CHED C=CCCOCCCCC(=O)N(CC)C1CCCCC1 539366442 VDNLCBDAWWZTDV-UHFFFAOYSA-N 281.440 3.931 30 20 CHED CCN(Cc1ccc(C)cc1)Cc1cc(C#N)ccc1OC 532605617 UZSNGTWWGZVTTH-UHFFFAOYSA-N 294.398 3.897 30 20 CHED C=CCCCC(=O)N1CCC(c2ccccc2F)CC1 530882700 HECGOFFDHFIHJZ-UHFFFAOYSA-N 275.367 3.888 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)OCC 535151234 NMUPTPBTNLTESQ-CYBMUJFWSA-N 285.746 3.789 30 20 CHED C[C@@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 448452462 NSYHGGZSLGUHPC-CYBMUJFWSA-N 297.320 3.811 30 20 CHED CCC[C@H](CCc1ccccc1)NC(=O)C1(C#N)CCC1 265911908 IMRGONJXGMKYRR-MRXNPFEDSA-N 284.403 3.598 30 20 CHED C[C@H](CCC1CC1)NCc1ccc(C#N)c(Cl)c1 619755466 YGKQJQMGISTYNA-LLVKDONJSA-N 262.784 3.880 30 20 CHED C=CCCCCCN(C)C(=O)c1ccncc1Cl 266691412 NNJOPCNWJBLFCG-UHFFFAOYSA-N 266.772 3.553 30 20 CHED CC1(C)C[C@@H]1CN[C@@H]1CCCc2cc(C#N)ccc21 611394197 SLRHCDMIYADRJT-GDBMZVCRSA-N 254.377 3.571 30 20 CHED CCOCc1ccccc1CNCc1ccc(C#N)cc1F 269384968 ASWPEQBBYXOHAR-UHFFFAOYSA-N 298.361 3.524 30 20 CHED C=CCC(CC=C)C(=O)N(C)[C@@H](CC)c1ccncc1 268148450 APWJVOYRLYNQRO-INIZCTEOSA-N 272.392 3.760 30 20 CHED Cc1ccccc1[C@H](NC(=O)CC#N)[C@@H]1CCC[C@H](C)C1 356223592 OFGJGHDGISWJBM-JCKWVBRZSA-N 284.403 3.892 30 20 CHED CC(C)(C)Oc1cccc(CSCCCC#N)n1 359051280 CEGGUVCHRMIWPO-UHFFFAOYSA-N 264.394 3.796 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2cnc3c(F)cccc3c2)C1 617779075 UUQGGPHJLXKBST-CYBMUJFWSA-N 298.361 3.802 30 20 CHED C=CC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 532965486 FBJZEDMJXJBAKJ-UHFFFAOYSA-N 279.387 3.542 30 20 CHED C=C(C)CN(CC)C(=O)Cc1cc2ccccc2s1 448684199 IAJGWOPQGWELDF-UHFFFAOYSA-N 273.401 3.868 30 20 CHED CC(C)N(Cc1cccs1)C(=O)c1sccc1C#N 353606676 VHXWJUFQZLVQDJ-UHFFFAOYSA-N 290.413 3.732 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(C(C)C)c1 614131764 FGSYTIJRCQTQPD-INIZCTEOSA-N 257.377 3.991 30 20 CHED C=C(CC)CN(C)Cc1ccccc1N1CCCC1 536882589 UTAUREWWUMZKPN-UHFFFAOYSA-N 258.409 3.685 30 20 CHED C=CC[C@H](C)[C@@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C 537478273 YUTCOERXWTUMQE-BFHYXJOUSA-N 269.429 3.543 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccoc2C2CC2)C1 617779793 IWTMLHAYSHQIAA-LBPRGKRZSA-N 259.349 3.585 30 20 CHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C(F)(F)F)C1 615444902 LGOPVJZQAIVOLO-GXFFZTMASA-N 268.282 3.503 30 20 CHED CCC[C@H]1[C@H](C)CCCN1C(=O)NCC(C)(C)CC#N 459260321 PKVRNXHZHWKCPJ-KGLIPLIRSA-N 279.428 3.536 30 20 CHED Cc1cc(C#N)cc(NC(=O)N(CC(C)C)C2CC2)c1 456016498 ZOXSOWOBTCZARZ-UHFFFAOYSA-N 271.364 3.519 30 20 CHED C=C(C)CCNC(=O)c1cn(CCCC#N)c2ccccc12 452718217 ORDFDICRDLDRDM-UHFFFAOYSA-N 295.386 3.641 30 20 CHED C[C@H](CC(C)(C)C)NC(=O)c1cccc(SCC#N)c1 457238612 VZJCUTDSPGRXGH-GFCCVEGCSA-N 290.432 3.857 30 20 CHED C[C@@H]1CCC[C@H](C(=O)NCc2ccc(C#N)c(Cl)c2)C1 619768149 USMMHWDHNKYJLD-YPMHNXCESA-N 290.794 3.654 30 20 CHED Cc1csc(C(C)(C)NCCCCC(C)(C)C#N)n1 277865159 YITAZVCBRJWLCV-UHFFFAOYSA-N 279.453 3.996 30 20 CHED CC[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(C#N)cc1 278778786 PRJGNXKFLBTHSQ-XDNAFOTISA-N 284.403 3.557 30 20 CHED C=CCCN(C)C(=O)c1oc2ccccc2c1CSC 615578621 CBTVOZWRLQQMLQ-UHFFFAOYSA-N 289.400 3.944 30 20 CHED Cc1cc(Cl)ccc1C(=O)N[C@](C)(C#N)C(C)(C)C 274321197 KLXSTPATVRMUOA-OAHLLOKOSA-N 278.783 3.707 30 20 CHED CCN(C[C@H](C)C#N)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 363194764 XPBDXDMRSIZMCH-KGLIPLIRSA-N 298.390 3.588 30 20 CHED C[C@@H]1CCN(CC2(C#N)CCC2)[C@@H](c2ccco2)C1 450453921 QJBGNPFZGJYQNL-ZIAGYGMSSA-N 258.365 3.746 30 20 CHED C#CCCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 271614981 AMGZDMLTMZSCSA-ZDUSSCGKSA-N 273.273 3.822 30 20 CHED C[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)[C@@H]1CCC[C@@H](C)C1 456983226 OZWMSICUIRCARV-ZXFNITATSA-N 298.430 3.993 30 20 CHED CCCN(C(=O)NCCCC#N)[C@@H](CC)c1ccccc1 273549012 MDIREEZYRXNCEC-INIZCTEOSA-N 287.407 3.863 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCCC[C@H]1SCC 543253861 TUUFHAKZJKKFEX-BFHYXJOUSA-N 284.469 3.705 30 20 CHED COC1CCC(CCN[C@H](C)c2ccc(C#N)cc2)CC1 541778288 FBPKGEDBCYZNCN-KSTDHSDQSA-N 286.419 3.804 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)CC)cc1 626729463 JUDDJRHNPXKEOL-ZDUSSCGKSA-N 274.364 3.756 30 20 CHED Cc1ccccc1C[C@H](C)N(C)CC1(C#N)CCC1 450866987 GOMNSNBBYXQGCU-HNNXBMFYSA-N 256.393 3.552 30 20 CHED C[C@@H]1CC(C(=O)Nc2cccc(CC#N)c2)C[C@@H](C)C1 456761175 XTPLNOXEHJFCPT-STQMWFEESA-N 270.376 3.763 30 20 CHED CC#CCCCC(=O)NCCc1ccccc1C(F)(F)F 274312531 XRTVZXMLBFRQJR-UHFFFAOYSA-N 297.320 3.558 30 20 CHED C[C@@H]1CN(Cc2ccc(OCC#N)cc2)[C@H]2CCCC[C@H]12 272904816 GSHLPZOKIIAMFB-OLMNPRSZSA-N 284.403 3.599 30 20 CHED C=C(C)CCNC(=O)Cc1c(CC)oc2ccccc12 627621823 KKWDJAVVZXWKRI-UHFFFAOYSA-N 271.360 3.620 30 20 CHED CSc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)ccc1F 274308399 HNVBHEMEHDAQFN-OAHLLOKOSA-N 294.395 3.606 30 20 CHED N#Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1F 464643813 PAFKAVATOUEIMG-UHFFFAOYSA-N 294.329 3.828 30 20 CHED C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C(C)(C)C 622943168 QQBMJGKOANXBME-GJZGRUSLSA-N 275.367 3.742 30 20 CHED C[C@]1(CNc2cc(Cl)ccc2C#N)CCO[C@@H]1C1CC1 466617939 KNKKDDZBOVZJTJ-HZPDHXFCSA-N 290.794 3.829 30 20 CHED CC(C)c1ccc([C@@H]2CCCN2C(=O)NCCCC#N)cc1 542250335 AFWUYUYHOXXQAU-KRWDZBQOSA-N 299.418 3.960 30 20 CHED C=C[C@@H](C)NC(=O)c1ccc(N(CC)CCCC)cc1 465146301 LEVKXCQLCFKZIM-CQSZACIVSA-N 274.408 3.617 30 20 CHED C[C@H]1C[C@@H](C)CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 541598564 WHHWOWHGLZLEIU-RYUDHWBXSA-N 290.794 3.720 30 20 CHED CC(C)(CCC#N)CN(Cc1ccc(O)cc1)CC1CC1 289475294 PXEPSBSMYGMCPT-UHFFFAOYSA-N 286.419 3.934 30 20 CHED C=CCCC(C)(C)NC(=O)Cc1cccc(Cl)c1F 620857229 SVIOMJAZJBSFOL-UHFFFAOYSA-N 283.774 3.883 30 20 CHED C=CCn1c(Nc2ccc(OC)cc2)nnc1C(C)(C)C 463105299 FZRTVXIJJLMXAM-UHFFFAOYSA-N 286.379 3.514 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cc(F)c(SC)c(F)c1 286100114 OOGWLAKFJSPWBG-ZDUSSCGKSA-N 284.331 3.565 30 20 CHED COc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 556604173 ZPGDZUIRAVKZJC-AWEZNQCLSA-N 292.382 3.907 30 20 CHED N#Cc1cc(F)c(N[C@H]2CCCC23CCOCC3)c(F)c1 370181672 HCWWAUOGJRZKAK-AWEZNQCLSA-N 292.329 3.598 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)c1cccc2oc(C)nc12 280115928 UFFSUOCXIOCSHK-UHFFFAOYSA-N 299.374 3.681 30 20 CHED C=C(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)c(F)c1 282315272 NFWDHMDGTWHQRI-KFNAQCHYSA-N 276.330 3.864 30 20 CHED CC[C@@H](C)CCC(=O)N[C@@](C)(C#N)C1CCCCC1 552188020 PLNHFARWSYOKFQ-CJNGLKHVSA-N 264.413 3.791 30 20 CHED C=C(Cl)CNC(=O)Nc1cc(C)n(C2CCCCC2)n1 289923391 UMTVRONVEFBTEN-UHFFFAOYSA-N 296.802 3.571 30 20 CHED C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)C1CC1 288390757 PPFBPYPJMFRJFE-UHFFFAOYSA-N 287.403 3.646 30 20 CHED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCCCC1 460797325 WSKYNVCFVJBVIK-UHFFFAOYSA-N 299.422 3.618 30 20 CHED N#CCC[C@H](N[C@@H]1CCC12CCC2)c1ccccc1 282406354 YBICAUVZMJPIJY-JKSUJKDBSA-N 254.377 3.954 30 20 CHED Cc1coc(C)c1C(=O)N[C@@H](CCC#N)c1ccccc1 285271128 MTEWQKWINCQNJX-HNNXBMFYSA-N 282.343 3.671 30 20 CHED C=C(C)Cn1c(CCCC)nnc1N1CC[C@H]2CCC[C@H]21 460798162 LZUOVGUZRLLZMO-HUUCEWRRSA-N 288.439 3.576 30 20 CHED CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cn1 554074200 VZBMDRLNQIJVGW-CVEARBPZSA-N 271.408 3.648 30 20 CHED C=CCCN(C)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 280343898 QHCTWQZCZSBZJN-ZBFHGGJFSA-N 290.382 3.679 30 20 CHED C=CCOc1ccc(OCc2ccc(F)cc2C#N)cc1 462661228 PFIJQOBYOIJHKB-UHFFFAOYSA-N 283.302 3.841 30 20 CHED C[C@@H](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(F)c1 468299636 UVHJVVICOOIGBH-CYBMUJFWSA-N 296.345 3.905 30 20 CHED C=C[C@H](C)NC(=O)N[C@@H](CC)c1ccc(Cl)s1 464752466 AWNGAUPGVXSVNP-IUCAKERBSA-N 272.801 3.726 30 20 CHED N#CCC[C@@H](C#N)CNCCC12CC3CC(CC(C3)C1)C2 551357316 CNPFVSVGDKOJNM-NUVRTYOOSA-N 285.435 3.626 30 20 CHED C=CCSCCNC(=O)N1CCC[C@H]1c1ccsc1 299346448 VWEBPBJDSSEISY-ZDUSSCGKSA-N 296.461 3.514 30 20 CHED C#Cc1ccc(CN[C@@H]2CCC[C@@H](SCC)C2)cc1 809625804 RXHFMYQIDIPFKJ-IAGOWNOFSA-N 273.445 3.822 30 20 CHED CC[C@@H]1CCC1=NNc1ncc(Cl)cc1Cl 807952971 PYGIHBHDKSDHLX-SSDOTTSWSA-N 258.152 3.976 30 20 CHED C=CCCc1noc(-c2ccccc2OC(C)C)n1 297485658 ZQIOZOTYDCMKSM-UHFFFAOYSA-N 258.321 3.642 30 20 CHED C=CCC[C@H](CC)NCc1cc(C)cc(Cl)n1 800495285 MWLZKQICFMKQFM-LBPRGKRZSA-N 252.789 3.878 30 20 CHED C#CCCCNC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 805161310 QHAMNJFVGKFCLP-LJQANCHMSA-N 298.430 3.553 30 20 CHED C#C[C@@H](NC(=O)c1ncsc1-c1ccccc1)C(C)(C)C 807877989 CXFVJBVFZASOHP-CYBMUJFWSA-N 298.411 3.588 30 20 CHED N#CCc1ccc(COC(=O)C2(C(F)F)CCCC2)cc1 808645866 VOIUXLGNKMVKBO-UHFFFAOYSA-N 293.313 3.621 30 20 CHED COc1ccc(C#N)cc1CNC(C)(C)c1ccccc1 385768521 BIEVNLFQBUYHFZ-UHFFFAOYSA-N 280.371 3.592 30 20 CHED C=C(C)CSCC(=O)Nc1ccc(C)c(Cl)c1 477001314 LQGZMGOVAVIGJW-UHFFFAOYSA-N 269.797 3.896 30 20 CHED Cc1ccc(CCC(=O)N(CC#N)c2ccccc2)s1 291340638 ONKGXKREEFTRLR-UHFFFAOYSA-N 284.384 3.546 30 20 CHED CC(C)O[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 649703295 ZSPWUZJLFCWSGZ-KRWDZBQOSA-N 291.822 3.581 30 20 CHED C=CCCCCCCNC(=O)[C@H]1CCCCS1 805219280 DEBQMDLIADEBOK-CYBMUJFWSA-N 255.427 3.525 30 20 CHED C[C@@H]1/C(=C/c2cccc3nccn23)C(=O)c2ccccc21 809155586 AXHPMBJVZQBONQ-IEMQHYRPSA-N 274.323 3.718 30 20 CHED C#C[C@H](NC(=O)N(CC)Cc1ccc(C)cc1)C(C)(C)C 808314076 MBMDKCQWLXZDRV-INIZCTEOSA-N 286.419 3.574 30 20 CHED C=CC[C@H]1N(C(=O)[C@@H]2Cc3ccccc32)CCCC1(C)C 470297356 LZUOMAXVILRMOL-IAGOWNOFSA-N 283.415 3.920 30 20 CHED C#C[C@H](CC)NC(=O)[C@H](C)c1cccc(CC(C)C)c1 803194096 MYQNHWLKQOCDOH-RHSMWYFYSA-N 271.404 3.517 30 20 CHED COc1ccc(CNN=C2CCC[C@H]2CCCF)cc1 800810917 ZRNHASBQERMJQW-AWEZNQCLSA-N 278.371 3.691 30 20 CHED C=CCn1c(S[C@@H](C)c2cccnc2)nnc1C1CC1 299074994 QIPVIUAJCHUNKZ-NSHDSACASA-N 286.404 3.590 30 20 CHED C=CCC1(c2nc(-c3ccsn3)no2)CCCC1 560354079 ZEGRMGINBICEGL-UHFFFAOYSA-N 261.350 3.581 30 20 CHED C=CCOc1cccc(CNc2cccc3c2CCO3)c1 475501673 KTVXAAVESZQPQA-UHFFFAOYSA-N 281.355 3.798 30 20 CHED CSC[C@](C)(C#N)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 568862005 FJDYDEDDSSKEBT-WWGRRREGSA-N 296.480 3.600 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ccccc1OC(F)F 294485078 UKKLECXAVCASAN-SNVBAGLBSA-N 283.318 3.677 30 20 CHED C#C[C@H](CC)NC(=O)Nc1cc(C(F)(F)F)ccc1C 806326486 PFHDJVBXGUZAPL-LLVKDONJSA-N 284.281 3.547 30 20 CHED CC(C)c1cnc(SCCO[C@H](C)C#N)n1C(C)C 801658615 ZJEPGTGTYLNYIJ-GFCCVEGCSA-N 281.425 3.608 30 20 CHED C=CCn1cccc1C(=O)N1CCC[C@@H](c2ccccc2)C1 647072908 BDCIOMOYPUETOA-QGZVFWFLSA-N 294.398 3.694 30 20 CHED C#CCN(Cc1ccccc1)C(=O)CCCc1ccsc1 804833320 PVXLGNRHPORWGA-UHFFFAOYSA-N 297.423 3.733 30 20 CHED C[C@@H](Cc1ccccc1F)N[C@@H]1CCc2ccc(C#N)cc21 564383399 ZNOGRIHORYXUSH-ORAYPTAESA-N 294.373 3.905 30 20 CHED C=C(C)CN(C)C(=O)CCCc1ccc(SC)cc1 648348047 MRPVKCWZSVUPBH-UHFFFAOYSA-N 277.433 3.766 30 20 CHED N#CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 397130325 URKYWXQPLXLQJI-YESZJQIVSA-N 288.435 3.745 30 20 CHED CC1CCC(=CC(=O)Nc2ccc(C#N)c(F)c2)CC1 813258873 KYCLFHJXZFLCJI-UHFFFAOYSA-N 272.323 3.772 30 20 CHED CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C#N)o1 814119409 DCAFJIUGJVQYGS-HNNXBMFYSA-N 296.370 3.635 30 20 CHED CC[C@@H]1CC(=NNc2cc(Cl)nc(Cl)c2)CCO1 819828644 LENXARFDDWRENY-SNVBAGLBSA-N 288.178 3.745 30 20 CHED C/C=C/C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 819739313 XZWXIQFMQIINNN-TZNOJPMFSA-N 296.292 3.522 30 20 CHED O=[N+]([O-])c1ccccc1NN=Cc1ccc2[nH]ccc2c1 811629350 XNMFELMMUPQMLC-UHFFFAOYSA-N 280.287 3.522 30 20 CHED C#CCCCCCC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 814345707 UDINYZGCYCBPLM-JCNLHEQBSA-N 287.378 3.772 30 20 CHED Cc1cccc(C(C)(C)NC(=O)c2ccc(C#N)s2)c1 487049446 WWRSRNCWKDVUFA-UHFFFAOYSA-N 284.384 3.593 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)CC(C)(C)C3CC3)[nH]c12 815954656 IXJXYGYNXFEKSU-ZDUSSCGKSA-N 295.386 3.874 30 20 CHED Cc1[nH]c(=NCc2ccc(C3CCC3)cc2)ccc1C#N 487775237 ZTTSLMOTTCMIEW-UHFFFAOYSA-N 277.371 3.563 30 20 CHED C=C[C@H]1CCCCN1C(=O)C1C[C@H]2CCC[C@H](C1)C2 488877369 IHWXAKNYLCWDTD-DZKIICNBSA-N 261.409 3.770 30 20 CHED N#CCOc1ccc(CNCc2cccc(C3CC3)c2)cc1 817407411 NBKNKFFWTVPLMY-UHFFFAOYSA-N 292.382 3.756 30 20 CHED C=C(C)[C@@H](CC(=O)N1CCC(CC)(CC)CC1)OCC 485544173 KWPXNWHFJYMUSC-OAHLLOKOSA-N 281.440 3.787 30 20 CHED Cc1ccc(NN=Cc2cccc(C(=O)O)c2Cl)cc1 814687100 OHAMVNIEKZSYDH-UHFFFAOYSA-N 288.734 3.793 30 20 CHED COCCN(CCCC(C)(C)C#N)C[C@H]1CC=CCC1 485113001 KDPFRLZSEQXHOK-INIZCTEOSA-N 278.440 3.621 30 20 CHED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 577339047 JMGRGMYZGNYBSA-SOUVJXGZSA-N 298.386 3.720 30 20 CHED C=CCC[C@H](N[C@@H](CO)Cc1cccc(C)c1)c1ccco1 577382869 QRWRKNIRUBUXQK-MSOLQXFVSA-N 299.414 3.789 30 20 CHED C=CCC1(NC(=O)C[C@H](C)c2ccncc2)CCCCC1 654021099 ULEQENNGUWWWEX-HNNXBMFYSA-N 286.419 3.970 30 20 CHED Cc1cccc(-c2nnc([C@@H](C)N(C)CC(C)(C)C#N)o2)c1 814669942 ZAHRZCPXVYEUMC-CYBMUJFWSA-N 298.390 3.588 30 20 CHED C=CCCCCCCCNC(=O)c1cc(C2CC2)no1 810768119 FPXMHQHWKCFCSD-UHFFFAOYSA-N 276.380 3.808 30 20 CHED CCC(=NNc1cnccn1)C12CC3CC(CC(C3)C1)C2 811638145 IORRZOIYWBLWAV-UHFFFAOYSA-N 284.407 3.871 30 20 CHED C#Cc1cccc(NC(=S)Nc2cccc(C(C)=O)c2)c1 726434566 MNEMETHSUHKGDY-UHFFFAOYSA-N 294.379 3.679 30 20 CHED Cc1ccc(NN=C2CCC3(CCCC3)CC2)nn1 811641434 CFSIATLNHIONEJ-UHFFFAOYSA-N 258.369 3.687 30 20 CHED Cc1ccc2ncc(C#N)c(N3CCC(F)(F)CC3)c2c1 813606366 XKEXCPSKLJESHR-UHFFFAOYSA-N 287.313 3.650 30 20 CHED C=C(C)CNc1cc(Cl)ccc1OCCOCC 728202168 UCYHZIYBPICKFQ-UHFFFAOYSA-N 269.772 3.743 30 20 CHED CC(=NNc1cccc(Cl)c1)c1cccc(CO)c1 814693615 ADOIMIPFQRIQSG-UHFFFAOYSA-N 274.751 3.668 30 20 CHED CC(C)CN(C(=O)CC(C)(C)C)c1ccc(C#N)cc1 499315057 CVCZKYTUQKWMBN-UHFFFAOYSA-N 272.392 3.983 30 20 CHED CC(C)C#CC(=O)Nc1ccc(COC2CCCC2)cc1 828465102 QFJYASPHNPBTNP-UHFFFAOYSA-N 285.387 3.744 30 20 CHED C#C[C@@H](CCC)NC(=O)N(Cc1ccc(F)cc1)C(C)C 820640037 KVKHSMNREBMRIT-INIZCTEOSA-N 290.382 3.548 30 20 CHED C=C[C@H]1CCCCN1C(=O)N[C@@H](C)Cc1ccc(C)s1 495244132 QISDRFVXEUVFSD-JSGCOSHPSA-N 292.448 3.738 30 20 CHED N#C[C@@H]1CC[C@H](Sc2nnc(-c3ccccc3)s2)C1 829159320 PVYUGMAOFRBDSL-PWSUYJOCSA-N 287.413 3.989 30 20 CHED C=CCC1(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)CCC1 573056507 XVHXPZSVUPJPHI-GXTWGEPZSA-N 273.376 3.766 30 20 CHED CC(C)C[C@H](Nc1cc(C#N)ncn1)c1ccccc1 573052403 WJBPDUUXNVSLBK-HNNXBMFYSA-N 266.348 3.548 30 20 CHED Cc1cc2cc[nH]c2cc1NC(=O)CCCCCC#N 588701077 GVVBCMMGMZVCPM-UHFFFAOYSA-N 269.348 3.889 30 20 CHED Cc1ccc(C)c(CC(=O)OCc2ccc(F)cc2C#N)c1 728631601 XUMIIXGNGIQVEP-UHFFFAOYSA-N 297.329 3.600 30 20 CHED CC1(C)CCc2cc(C=NNC3CCCC3)ccc2O1 727652174 VFSHBEQSJASYAW-UHFFFAOYSA-N 272.392 3.656 30 20 CHED C=C(C)C[C@@H](NC[C@H](CCC)c1ccccc1)C(=O)O 904033682 VTXOJXHEQLHMDI-JKSUJKDBSA-N 275.392 3.579 30 20 CHED Cc1ccncc1[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 589342233 WHSKTNVNJPKXOG-UGSOOPFHSA-N 277.371 3.600 30 20 CHED CCC[C@@H](C)C(=O)N(CC(C)C)c1ccc(C#N)cc1 499318563 HXRPXOUNWFMLIX-CQSZACIVSA-N 272.392 3.983 30 20 CHED N#Cc1ccc(NC(=S)N[C@H]2CC=CCC2)cc1Cl 735986165 BJILXPJPDDEYMY-NSHDSACASA-N 291.807 3.607 30 20 CHED C=CCCOc1ccccc1-c1nc2c(s1)COCC2 904804611 DCQXNFPMTJEYAE-UHFFFAOYSA-N 287.384 3.838 30 20 CHED O=[N+]([O-])c1cccc(NN=C2CCC[C@@H](C3CC3)C2)c1 737415769 HHMVSFSAUYALFE-GFCCVEGCSA-N 273.336 3.963 30 20 CHED CC(C)OCc1cccc(-c2ccc(OCC#N)cn2)c1 904756840 CUWUXFMQZOUEMU-UHFFFAOYSA-N 282.343 3.576 30 20 CHED COc1cccc(CCCSCc2cc(C#N)ccn2)c1 901765926 JERNHLHRFJZUQL-UHFFFAOYSA-N 298.411 3.828 30 20 CHED CC[C@@H](C)NN=Cc1sc(C)cc1Br 834974174 ZBSRWKLZCUJGDO-SSDOTTSWSA-N 275.215 3.541 30 20 CHED C[C@@H]1CN(C(=O)/C=C\c2ccccc2C#N)[C@@H]2CCCC[C@@H]12 588422727 ICPZIRIRUYLKKY-BKLRSWCUSA-N 294.398 3.609 30 20 CHED C=C(C)COc1cccc(NCc2ccc(C(=O)O)o2)c1 833371125 WWQQFKPQJKHGPH-UHFFFAOYSA-N 287.315 3.545 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCCCCCCC1 836441583 JPOASRVWNUINMQ-CQSZACIVSA-N 252.402 3.707 30 20 CHED CCc1ccc(/C=C\C(=O)c2ccc(C(=O)O)cc2)s1 830244841 IKLANVQOQDBWRM-KTKRTIGZSA-N 286.352 3.905 30 20 CHED C#CCCCCCC=NNc1oc(C(C)(C)C)nc1C#N 834949717 KEVSFSMFSJMDRY-UHFFFAOYSA-N 286.379 3.825 30 20 CHED CC[C@H](NCc1ccc(OC)c(O)c1)c1cccc(C#N)c1 902786394 NYIRQFACJIVYNQ-INIZCTEOSA-N 296.370 3.513 30 20 CHED CC[C@@H](C)c1ccc(NC(=O)CON=C2CCC2)cc1 735490445 XJYWEKUJOJLPLR-GFCCVEGCSA-N 274.364 3.695 30 20 CHED CSCCCCCCNC(=O)CC1(C#N)CCCCC1 832028187 ZNWCWSGEWSVQIE-UHFFFAOYSA-N 296.480 3.890 30 20 CHED CCC(=NNc1cc(F)cc(OC)c1)C1CCC1 834962578 XYJYSCALLWFFMP-UHFFFAOYSA-N 250.317 3.812 30 20 CHED Cc1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(C)s1 839041657 BYQSLTGKTOZLQS-VXGBXAGGSA-N 263.362 3.604 30 20 CHED CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(F)c1 581279832 KVZNXQBSFZCWOT-CQSZACIVSA-N 289.354 3.740 30 20 CHED CCO[C@H]1CC(=NNc2ccc3ccccc3n2)C1(C)C 736428218 GYPZXLAGOBSYSW-HNNXBMFYSA-N 283.375 3.838 30 20 CHED CC(C)[C@@H]1N(Cc2ccc(C#N)cc2F)CC1(C)C 580442194 GBKUFCAJVKSDNS-HNNXBMFYSA-N 260.356 3.564 30 20 CHED COc1ccc(O)c(C=Nc2cccc3ccn(C)c23)c1 588564429 CQWLTPMQVKDNFY-UHFFFAOYSA-N 280.327 3.643 30 20 CHED C=CCC1(C(=O)OCc2ncc(C3CC3)o2)CCCC1 838280261 NWWHMSURQUVWNO-UHFFFAOYSA-N 275.348 3.732 30 20 CHED C=CCC[C@H](NCCc1nc(C)cs1)c1ccco1 671740840 NGDKBNMGYOKFLF-ZDUSSCGKSA-N 276.405 3.884 30 20 CHED CCOc1c(Cl)cccc1C=NN[C@@H](C)C(F)(F)F 834997622 GLIZCWVMJYSNHI-QMMMGPOBSA-N 294.704 3.613 30 20 CHED C=CC[C@H](NC(=O)/C=C\C1CCCCC1)c1ccncc1 735472562 UGJWYWMAOZHIDK-IBSYWUHOSA-N 284.403 3.952 30 20 CHED C[C@@H]1CCCC[C@@H]1N1CCC(=NNc2ccccn2)CC1 733906210 AHOFAYDTTFWGCH-ZBFHGGJFSA-N 286.423 3.524 30 20 CHED CC(=NNc1cc(C)ncn1)C(C)(C)c1ccc(F)cc1 734980122 XCDYWWDSHMPGKP-UHFFFAOYSA-N 286.354 3.690 30 20 CHED C=CCCCOC(=O)c1cc2cc(OC)ccc2nc1C 735528977 VSIKHQZKECVEBK-UHFFFAOYSA-N 285.343 3.675 30 20 CHED N#Cc1csc(C(=O)NC2CCC(C3CCC3)CC2)c1 598451078 NLYJOACGRIJPKX-UHFFFAOYSA-N 288.416 3.708 30 20 CHED CC(C)(C(=O)OC[C@H](C#N)Cc1cccs1)C1CCC1 835260620 IZOTXGWZCUCXPC-LBPRGKRZSA-N 291.416 3.800 30 20 CHED C=CCCCC(=O)OCC(=O)c1cc(C)n(CCC)c1C 748240625 RDBKFNKZFRMHLK-UHFFFAOYSA-N 291.391 3.597 30 20 CHED CC(=NNc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 743450008 KGCPUXNJDFKUPY-UHFFFAOYSA-N 288.782 3.637 30 20 CHED C#CCOc1ccc(C(=O)N(C)[C@@H](C)c2cccs2)cc1 741670148 AVJWVAISJZNBRG-ZDUSSCGKSA-N 299.395 3.593 30 20 CHED C=CCc1cc(CN2CCC[C@H]2C2CC2)cc(OC)c1O 678240371 XOOOOYZAWZQNAX-INIZCTEOSA-N 287.403 3.504 30 20 CHED C[C@@H](CSc1ccccc1)N(C)CCCSCC#N 593046648 QSWAUFGLWFNNEP-AWEZNQCLSA-N 294.489 3.746 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccccc1CCC(F)(F)F 593517186 HFDOWGHHHLMNKG-JTQLQIEISA-N 284.281 3.670 30 20 CHED CCOc1ccc(NC(=S)NN=C(CC)C(C)C)cc1 915926308 GTDRWIBVDUZPBD-UHFFFAOYSA-N 293.436 3.794 30 20 CHED CCCOc1cccc(CN2CCC[C@H](CC#N)C2)c1 595623526 SGJXAFNGWXTUSN-OAHLLOKOSA-N 272.392 3.601 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H](CCC)c1ccccn1 678841078 OCVPFXXJBQZVMC-HOCLYGCPSA-N 289.423 3.967 30 20 CHED Cc1nc(C(C)(C)C)sc1C(=O)OCC1(CC#N)CC1 744277139 VMBANDRURYVMPG-UHFFFAOYSA-N 292.404 3.600 30 20 CHED CC[C@@H](C#N)C(=O)Nc1cnn(CCC(C)C)c1C(C)C 593651332 HETKEGPONDCJNB-ZDUSSCGKSA-N 290.411 3.541 30 20 CHED C=CCCOCCCCC(=O)Nc1cnccc1SC 678855953 UFGBXVKWIRITSU-UHFFFAOYSA-N 294.420 3.505 30 20 CHED O=C1/C(=C2/COc3ccc(F)cc32)Cc2ccc(F)cc21 749005135 IQRAERSQPRHZOA-PFONDFGASA-N 284.261 3.550 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)CCCc2ccc(F)cc2)C1 847075909 DKYMQTBFHKNRJE-ZBFHGGJFSA-N 289.350 3.774 30 20 CHED C=CCCSCCNC(=O)Nc1ccccc1OCC 596634843 DSXWPDOVKDEFNC-UHFFFAOYSA-N 294.420 3.516 30 20 CHED C#CC1CCN(C(=O)C[C@@H]2C[C@H](C)c3c(C)cccc32)CC1 843700709 PTMLACRMKNIIIT-RDJZCZTQSA-N 295.426 3.848 30 20 CHED C=CCC[C@H](C)OC(=O)c1ccc2ccncc2c1 845423261 XVWMHIUSASCXGY-LBPRGKRZSA-N 255.317 3.746 30 20 CHED C=C(C)CN(Cc1ccccc1)CN1C(=O)CC12CCCC2 844703421 GQKFDCQDZLCWAC-UHFFFAOYSA-N 298.430 3.567 30 20 CHED C=CCN(CC=C)C(=O)/C=C(\C)c1cccc(Cl)c1 749863529 VIRPMQSHNYJJHI-ACCUITESSA-N 275.779 3.944 30 20 CHED C=CCCC(=O)O[C@H](C)c1ncc(C(C)(C)C)o1 747700970 XALQNLKGFLKASE-SNVBAGLBSA-N 251.326 3.543 30 20 CHED CC(C)N(Cc1ccc(F)cc1)C(=O)C#Cc1ccccc1 747370259 BEUGCMUOHNFZJF-UHFFFAOYSA-N 295.357 3.614 30 20 CHED CCc1ccccc1NN=Cc1ccc(COC)cc1 741762063 VOZHBHIYBCTMNY-UHFFFAOYSA-N 268.360 3.841 30 20 CHED CC1CCC(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 593967237 ODZFGBFWBMVQLJ-SWKXRBFHSA-N 298.430 3.679 30 20 CHED CC1(C)CC(C)(C)c2cc(NC(=O)N3CC(C#N)C3)ccc21 590823701 YXHXFVBSLWWFBP-UHFFFAOYSA-N 297.402 3.633 30 20 CHED Cc1csc(C(=O)NCCC#C[Si](C)(C)C)c1Cl 912328538 KMSPIAFLZLIRJK-UHFFFAOYSA-N 299.899 3.711 30 20 CHED N#CCC1(CSCc2ncc(Cl)s2)CC1 596368825 YUZZJJOKWIBSTK-UHFFFAOYSA-N 258.799 3.724 30 20 CHED CCN(Cc1cccs1)C(=O)CC1(C#N)CCCCC1 596664975 VAJVLAIVOZTSTR-UHFFFAOYSA-N 290.432 3.961 30 20 CHED Cc1ccc(C=NNc2c(C)cccc2C(C)C)nn1 841639306 QAGCKZGHGHXKHL-UHFFFAOYSA-N 268.364 3.663 30 20 CHED N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 597777954 SYEWPRSFVRJPQX-VQFNDLOPSA-N 294.398 3.664 30 20 CHED C=CCC[C@H](N[C@@H]1CCc2cc(OC)ccc2C1)C1CC1 680352624 NYWPDOXKIZNTKL-MJGOQNOKSA-N 285.431 3.887 30 20 CHED CCC(CC)[C@H](CC/N=C/c1cc(OC)ccc1O)OC 746521243 GBYFPXYRUJFVIN-BOFQVRIASA-N 293.407 3.661 30 20 CHED N#Cc1cccc(C2(NCCCC3CCC3)CC2)c1 595418802 UAAIYLZHGILLEI-UHFFFAOYSA-N 254.377 3.717 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)c1ccco1 684235124 REUCTQVRWVDEDE-OAHLLOKOSA-N 283.371 3.988 30 20 CHED CC(C)CN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(C)C 593959369 AWNMBDUFAKZSPL-HNNXBMFYSA-N 286.419 3.630 30 20 CHED C=CCNC(=S)Nc1ccc(OCCC(C)C)cc1F 848655457 BXRNTXWIKHKAAK-UHFFFAOYSA-N 296.411 3.723 30 20 CHED CC[C@@H](C#N)N(C)C(=O)/C(C)=C/c1ccccc1Cl 847167973 KESMSLDYNIHNNK-STRFDMGBSA-N 276.767 3.504 30 20 CHED CC[C@@H](C)CCNC1CCN(c2ccc(C#N)cc2)CC1 594966284 FKUYTPSFUNCJNE-OAHLLOKOSA-N 285.435 3.553 30 20 CHED C[C@@H](CC#N)OC(=O)C(C)(C)c1ccc2ccccc2c1 744134560 DEHIOOULHJSESR-ZDUSSCGKSA-N 281.355 3.963 30 20 CHED C/C(=C/c1ccco1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 846828654 NWTUPCAZOLXZBI-WQLSENKSSA-N 297.358 3.750 30 20 CHED C=CCCC(=O)N1CCC[C@H]1[C@@H](C)c1ccccc1 928388888 YLLWJNJRUNLZQB-HOCLYGCPSA-N 257.377 3.747 30 20 CHED Cc1cc(S[C@@H](C)OC(=O)OC(C)C)ccc1C#N 842632013 BOZCXRZJLHOEFT-NSHDSACASA-N 279.361 3.866 30 20 CHED O=C(/C=C\c1nc(Cl)cs1)c1ccc2c(c1)CCO2 759077616 UVNIXKQPCZKILH-RQOWECAXSA-N 291.759 3.628 30 20 CHED C#Cc1cccc(NC(=O)N2CC[C@@H](C(C)(C)C)C2)c1 752466788 IFFFVRZSQZDWJI-CQSZACIVSA-N 270.376 3.568 30 20 CHED Cc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)c(C2CC2)n1 851206961 ZCWYIBPOLCJXIL-LBPRGKRZSA-N 286.375 3.753 30 20 CHED COc1ccc(C[C@@H](C)C=NOCC(C)C)cc1F 758129993 SZLMIRAEEOJIET-GFCCVEGCSA-N 267.344 3.671 30 20 CHED N#CC1(CC(=O)Oc2cc(F)cc(F)c2)CCCCC1 850804866 GMWGGXVLAOWJIV-UHFFFAOYSA-N 279.286 3.734 30 20 CHED CCO[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccc1 851210978 XDNPMJISACORBZ-UKRRQHHQSA-N 289.375 3.636 30 20 CHED CC1(C)CCC(C=Nn2cc(Br)cn2)CC1 752745414 BEAFQIOOTPIEQB-UHFFFAOYSA-N 284.201 3.696 30 20 CHED COCCOCc1ccc(N[C@H](C)CC(C)(C)C#N)cc1 926768107 WKFXBIFXRQLCIL-CQSZACIVSA-N 290.407 3.590 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1N[C@H](C)CC(C)(C)C#N 926653285 YFAMGVPVEWMJQF-VNQPRFMTSA-N 256.393 3.769 30 20 CHED CC(Cc1ccc2c(c1)CCCC2)=NOC1CCOCC1 853334966 WZDZWWRSBPPWCH-UHFFFAOYSA-N 287.403 3.679 30 20 CHED FC(F)(F)[C@H]1CCC[C@@H](C=NOC2CCOCC2)C1 853334834 SCGKGCRXHODLBC-MNOVXSKESA-N 279.302 3.537 30 20 CHED COC1(C(C)=NNc2ccc([N+](=O)[O-])cc2Cl)CCC1 853301746 OAYCNSFWLXADQN-UHFFFAOYSA-N 297.742 3.605 30 20 CHED Cc1ccc(C)c(C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851214789 WZVOBRLOBBWELP-ZDUSSCGKSA-N 259.349 3.789 30 20 CHED C#CC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 754004130 VWPJBDCSNAHTTF-UHFFFAOYSA-N 284.746 3.524 30 20 CHED Cc1ccc(-c2nnc(S)n2N=CCC(C)(C)C)cc1 755512644 QDSGKFMAGCINAO-UHFFFAOYSA-N 288.420 3.812 30 20 CHED CCCCCC[C@H](C)NN=C(C)c1cc(O)cc(O)c1 753710108 UUNCYDTWIOQRPA-LBPRGKRZSA-N 278.396 3.770 30 20 CHED CCCOc1ccc(C(C)=NO[C@@H]2CCCCO2)cc1 755818390 CDKQOHPEKSUBBZ-MRXNPFEDSA-N 277.364 3.743 30 20 CHED COc1cccc(CSCCO[C@H](C)C#N)c1Cl 853773976 OPUCIRDZVXABQZ-SNVBAGLBSA-N 285.796 3.510 30 20 CHED N#CC1(CCCCN2CCC3(CCCC3=O)CC2)CCC1 931038239 MGMZZGADVDUUKD-UHFFFAOYSA-N 288.435 3.686 30 20 CHED C=C1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 759148165 OUFHIZGYVNYLCC-AWEZNQCLSA-N 286.202 3.679 30 20 CHED CCCCOc1ccccc1C=NNc1ccnc(F)c1 767385752 MCHRUASHIVYGGX-UHFFFAOYSA-N 287.338 3.846 30 20 CHED CC#CCOC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 766980452 CJRYJVXIFOHVEH-CVEARBPZSA-N 280.408 3.709 30 20 CHED Cc1cc(C=NNc2nc3ccccc3s2)ccc1C#N 766432096 UYLNSKWCXTXUCV-UHFFFAOYSA-N 292.367 3.922 30 20 CHED Fc1ccc(CC=NN=c2cc[nH]cc2Cl)c(Cl)c1 766453941 FGGWSMVELNKLSW-UHFFFAOYSA-N 298.148 3.590 30 20 CHED C=CCCC(CC)=NNc1ncnc2ccsc12 764839989 DOZPKFQRAULYLD-UHFFFAOYSA-N 260.366 3.835 30 20 CHED Cc1ccc(C#N)cc1C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 933785347 GPZAREVYJPWPGY-KDOFPFPSSA-N 290.366 3.700 30 20 CHED C=CCN(C(=O)Nc1ccc(OCCC)c(C)c1)C1CC1 861625980 RDYOEPHJLAXADR-UHFFFAOYSA-N 288.391 3.966 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccc(C)o1 864026860 IMPRZKZCHJZHCP-UHFFFAOYSA-N 262.740 3.755 30 20 CHED Fc1ccc(C=NNC2CCCC2)c(Cl)c1Cl 761808373 QENGPKSWMJLTEH-UHFFFAOYSA-N 275.154 3.999 30 20 CHED Clc1ccc2c(c1)C(=NO[C@@H]1CCCCO1)CCC2 761270916 DVDUITPZVQZFMC-OAHLLOKOSA-N 279.767 3.924 30 20 CHED Fc1ccc(NN=Cc2ncccc2C(F)(F)F)cc1 765548829 OGVUMTPHXBMVIO-UHFFFAOYSA-N 283.228 3.686 30 20 CHED C#CCCCn1nc(C)nc1-c1ccc2ccccc2c1 766289311 LEDYUAUMLATCNP-UHFFFAOYSA-N 275.355 3.820 30 20 CHED Cc1oc(C#N)cc1C(=O)N(CCc1ccccc1)C(C)C 1116888515 HNZVGTVHNVCSPF-UHFFFAOYSA-N 296.370 3.553 30 20 CHED Cc1c(C(=O)OCC2(C#N)CCC2)oc2c(F)cccc12 768091170 KWVUQYAFJCXYMH-UHFFFAOYSA-N 287.290 3.731 30 20 CHED Cn1nccc1C(=O)/C=C/c1ccc(F)c(Cl)c1Cl 766033354 FRPDIKCVRJNXPI-HWKANZROSA-N 299.132 3.762 30 20 CHED CC(C)CC[C@H]1CCCC1=NNc1ncc(F)cn1 760266155 QYCDVCROSDPRTQ-LLVKDONJSA-N 264.348 3.620 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(OC)c(C)cc1C 879847065 TURCVWBWSHPMLF-UHFFFAOYSA-N 261.365 3.853 30 20 CHED CCOc1cccc(F)c1CNCC(C)(C)CCC#N 873126376 GJWSKURSRDDCRR-UHFFFAOYSA-N 278.371 3.644 30 20 CHED CCN(C(=O)Cc1ccccc1CC#N)[C@H]1CCCC[C@H]1C 776885311 XKWNBBZTPQHHKH-QAPCUYQASA-N 298.430 3.722 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2csc(C#N)c2)c1 1117743636 UIDLIHLQEFCZHN-LBPRGKRZSA-N 284.384 3.728 30 20 CHED Cc1cc(CNc2snc(Cl)c2C#N)cc(C)c1O 771090243 LLJBXBFQVVXHAI-UHFFFAOYSA-N 293.779 3.603 30 20 CHED COc1cc(C#N)ccc1COc1c(C)ccnc1Cl 779641820 IMGDKJJOVZIGAA-UHFFFAOYSA-N 288.734 3.503 30 20 CHED C#CCCCCC(=O)NCCc1ccc(C(C)(C)C)cc1 773233226 XERQMVAAVQONCW-UHFFFAOYSA-N 285.431 3.836 30 20 CHED C=CCCCCNC(=O)NCC(CC)(CC)SC 770427146 MOPVXOLAVCVMPV-UHFFFAOYSA-N 272.458 3.564 30 20 CHED Cc1cc(CNc2cccc(Cl)n2)ccc1C#N 775178915 WUZPEXHFHZLCHC-UHFFFAOYSA-N 257.724 3.527 30 20 CHED C=C(CC)COC(=O)[C@@H]1C[C@@H]1c1sccc1C 773537485 VDACRHJADVPRBW-NWDGAFQWSA-N 250.363 3.669 30 20 CHED Cc1ccc(CC(=O)O[C@H](C#N)C2CCCCC2)cc1 776362435 AJQNWFJRYOGSBV-MRXNPFEDSA-N 271.360 3.553 30 20 CHED C[C@@H]1CC[C@H](OC(=O)CSCc2ccc(C#N)cc2)C1 779262496 GJIREGSFITWYCZ-DOMZBBRYSA-N 289.400 3.523 30 20 CHED CC(=NOC(C)(C)C)c1cc(Cl)cc(C)c1O 1117483732 PHNFLJSLIXEGBG-UHFFFAOYSA-N 255.745 3.893 30 20 CHED Cc1cc(C#N)ccc1CN(C)CCc1ccccc1F 776790276 GNQSXXJLHZJRFB-UHFFFAOYSA-N 282.362 3.680 30 20 CHED CN(C)c1ccc(C2CCN(CC3(CC#N)CC3)CC2)cc1 878457590 WPLVMYHUNZRXMW-UHFFFAOYSA-N 297.446 3.626 30 20 CHED C=C[C@@](C)(CC)c1nnc([C@H](C)CN2CCC(C)CC2)o1 1118426463 RNDAAPHHIQIMLQ-PBHICJAKSA-N 291.439 3.759 30 20 CHED C#CCCCCC(=O)NCc1ccc(-c2ccccc2)o1 773267327 IUPWGNNZOOEIKS-UHFFFAOYSA-N 281.355 3.756 30 20 CHED CCC(=NNc1cccc(OC)c1)c1ccc(C#N)cc1 773032662 OOYXJVVIYZIPHE-UHFFFAOYSA-N 279.343 3.793 30 20 CHED CC(C)C[C@H]1CCCCN1C(=O)Cc1ccccc1CC#N 777012156 NWFWQHXKSKILPP-GOSISDBHSA-N 298.430 3.722 30 20 CHED COc1cc(C#N)ccc1OC[C@H]1CC(C)(C)OC1(C)C 882028034 JXHITZMFTWSTCB-CYBMUJFWSA-N 289.375 3.539 30 20 CHED N#C[C@@H](OC(=O)c1cccc(F)c1F)C1CCCCC1 776382716 YEWULELJJVRKBO-CYBMUJFWSA-N 279.286 3.594 30 20 CHED C=C(CC)COC(=O)c1ccc(C(F)(F)F)cc1C#N 773532479 UMLRHIUBZZPFMV-UHFFFAOYSA-N 283.249 3.700 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)N1CC[C@](O)(CC)C1 779535396 IBHIJSKBOWWTHQ-NVXWUHKLSA-N 298.471 3.539 30 20 CHED COc1cccc(OC)c1/C=C1/Cc2c(F)cccc2C1=O 776190442 WAXLOJZGKLDODS-KHPPLWFESA-N 298.313 3.665 30 20 CHED C#CCN(CCC(=O)c1ccccc1)Cc1ccc(F)cc1 777561800 RIVSLFQOXSBDBF-UHFFFAOYSA-N 295.357 3.534 30 20 CHED CC(C)(C#N)CC(=O)OCCCc1ccccc1Cl 785096152 NRPKWRUNNSSEHR-UHFFFAOYSA-N 279.767 3.756 30 20 CHED C=CCCC[C@H](NCCc1nncn1CC)c1ccccc1 883203533 FOWCFQZWNRJVAP-KRWDZBQOSA-N 298.434 3.528 30 20 CHED CC[C@H](C)CCC(=O)Nc1ccc(Cl)cc1C#N 1130936595 KJZRQVRZROHKHK-JTQLQIEISA-N 264.756 3.976 30 20 CHED Fc1ccc([C@@H]2CCCC2=NNCCc2ccccn2)cc1 789113493 UEDWOSTVMOPFQG-KRWDZBQOSA-N 297.377 3.677 30 20 CHED C=C[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1F 787311680 YDVMYDJKIRETRA-SNVBAGLBSA-N 269.747 3.725 30 20 CHED CC(C)C(C=NNc1nnc(-c2ccccc2)n1C)C(C)C 788994144 FRBUFRVZABTNBE-UHFFFAOYSA-N 299.422 3.808 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc(Cl)c2Cl)[nH]1 786092948 PPBJBDKPJUKJDT-UHFFFAOYSA-N 295.125 3.550 30 20 CHED C[C@@H](OC(=O)/C=C/c1cccc(O)c1)c1cccc(C#N)c1 784062559 SSVDPZYSEXGJJX-MMQHEFTJSA-N 293.322 3.581 30 20 CHED Cc1ccnc(NN=Cc2cnc(-c3ccco3)s2)c1 782242865 ORZUHOLUPAGFMA-UHFFFAOYSA-N 284.344 3.553 30 20 CHED O=C(/C=C/c1ccc(Cl)nc1)c1ccnc(Cl)c1 782193670 GXCAMTQOBNBOOB-HNQUOIGGSA-N 279.126 3.680 30 20 CHED CC1(C=NNc2ccc([N+](=O)[O-])cc2Br)CC1 782271899 LVWVFNMRVANCPF-UHFFFAOYSA-N 298.140 3.555 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)c1cc(C#N)oc1C 890616815 YMCVVWVQNLRFRI-INIZCTEOSA-N 280.327 3.567 30 20 CHED C=C1CC(c2noc(/C=C/c3ccc(OC)cc3)n2)C1 896875809 PCODPNZUXCCCEK-VMPITWQZSA-N 268.316 3.682 30 20 CHED Fc1ccc([C@@H]2CCCC2=NNCCc2ccncc2)cc1 789098119 OUQFWTGSAWFSPP-KRWDZBQOSA-N 297.377 3.677 30 20 CHED COc1ccc(C)cc1C=NN[C@@H]1CCCC1(C)C 782288671 RLLJZCLYLGJFAZ-OAHLLOKOSA-N 260.381 3.506 30 20 CHED C#CCC1(C(=O)NCc2ccc(Cl)cc2)CCCCC1 788141677 QTRWZTYSFQXWEM-UHFFFAOYSA-N 289.806 3.930 30 20 CHED C=C1CCC(C(=O)N2CCC[C@@H]2C2CCCC2)CC1 895822147 LBQOWEFQMBYQHR-MRXNPFEDSA-N 261.409 3.914 30 20 CHED CC(C)(C)c1cnc([C@H](C#N)C(=O)CC2CCC2)s1 797570577 IAKGTSRFGOWKHG-LLVKDONJSA-N 276.405 3.807 30 20 CHED CC[C@H](C)NN=C(C)Cc1nc2ccccc2s1 790183251 KHJRISIMMIUVHO-JTQLQIEISA-N 261.394 3.603 30 20 CHED CCCCCCCOc1ccc2oc(=O)oc2c1 799589453 PRFMQXRTQPZCNY-UHFFFAOYSA-N 250.294 3.735 30 20 CHED COc1ccc(C)cc1C(=O)/C=C\c1cnn(C2CCC2)c1 899343767 CSRVZXYTRBPPIN-FPLPWBNLSA-N 296.370 3.821 30 20 CHED Cc1[nH]c2ccc(F)cc2c1C=NNc1cccc(F)n1 795007387 XTLJPDLESFCAST-UHFFFAOYSA-N 286.285 3.596 30 20 CHED COCC(C)(C)C/N=C\c1cc(Cl)cc(Cl)c1O 793653880 JHLPYFLTMUDYDK-SOFYXZRVSA-N 290.190 3.791 30 20 CHED Cc1oc(C#N)cc1C(=O)Oc1cccc(Cl)c1Cl 797940985 LTBWGEIHJAXDES-UHFFFAOYSA-N 296.109 3.986 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cccc(OCC)c1 797998147 ATPRULRYSBQPKH-LESCRADOSA-N 289.419 3.717 30 20 CHED Cc1cccc2c1C/C(=C/c1ccnn1C(C)C)C2=O 794942120 IGRIJPLPXPAGGW-LCYFTJDESA-N 266.344 3.595 30 20 CHED CC(CN1Cc2ccccc2C1)=NOCc1ccccc1 792631341 RPYZOUOCNBSTCO-UHFFFAOYSA-N 280.371 3.595 30 20 CHED CSc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)s1 798232321 RJDACOYJILLFNC-GHXNOFRVSA-N 290.365 3.792 30 20 CHED CC[C@H]1CC[C@@H](C)CC1=NNCCC(F)(F)F 797403796 ZIUHRJIYKSNPJD-ZJUUUORDSA-N 250.308 3.731 30 20 CHED O=C1/C(=C\c2cccc(F)c2)CCc2ccc(O)cc21 794960028 IWATXYVSRIBLLQ-JYRVWZFOSA-N 268.287 3.744 30 20 CHED CCc1ccccc1CCSc1ccc(C#N)cn1 1307290465 MROAGMHHODBVPV-UHFFFAOYSA-N 268.385 3.850 30 20 CHED N#Cc1cc(F)ccc1CSc1ccc2[nH]ncc2c1 1166339559 WNPXDTQFXTVHDX-UHFFFAOYSA-N 283.331 3.866 30 20 CHED C=C(C)CN(CC)C(=O)C(F)(F)c1ccc(Cl)cc1 1317899453 YBBPJRHZGKDDHU-UHFFFAOYSA-N 287.737 3.856 30 20 CHED CC[C@H]1CCCC[C@@H]1N(C)c1cc(C)c(C#N)cn1 1162786411 IHEVQAXXPAAFID-ZFWWWQNUSA-N 257.381 3.667 30 20 CHED CCCCCCCNc1cccc(S(=O)(=O)CC)c1 1319179455 FQXPKPAIXSRUCW-UHFFFAOYSA-N 283.437 3.863 30 20 CHED Cc1cccc(N(C)C(=O)Nc2ccc(F)cc2C#N)c1C 1310385965 PCPWOQUTNFVWHP-UHFFFAOYSA-N 297.333 3.983 30 20 CHED C=C1CCN(Cc2ccccc2C(F)(F)F)CC1 509684221 SSYLFFRDAMBAOP-UHFFFAOYSA-N 255.283 3.857 30 20 CHED COC(=O)c1cccc(/C=C/C(=O)c2ccccc2C)c1 1322546919 RYEZMWWKGBAKOU-ZHACJKMWSA-N 280.323 3.678 30 20 CHED CC1(C)C[C@@H](CNc2ccc(Cl)cc2C#N)CCO1 413326929 CHSUKDVOSTXFIQ-NSHDSACASA-N 278.783 3.829 30 20 CHED C#CCC1(C(=O)NC[C@@H]2CCCC2(F)F)CCCCC1 1324525450 ZQNWBAAFWKDPHY-ZDUSSCGKSA-N 283.362 3.512 30 20 CHED C=CCCCC(=O)N(C)c1ccccc1Br 1329087777 QLYHUJUWVGIHOW-UHFFFAOYSA-N 282.181 3.768 30 20 CHED C=CC[C@@H](c1ccccc1)c1nnc(CC2CC2)o1 1327936441 YBGYEEGLHUHLST-AWEZNQCLSA-N 254.333 3.730 30 20 CHED N#Cc1ccc(SCc2nnc(C3CCC3)o2)cc1 1328291609 CKMLXBYNFSYMEF-UHFFFAOYSA-N 271.345 3.501 30 20 CHED C=C[C@H](CC)CC(=O)OCc1csc(C(F)(F)F)n1 1336298657 DADHQNPCVQLDHA-MRVPVSSYSA-N 293.310 3.807 30 20 CHED Cc1ccc(CC2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 1330306344 XQINVOWFAPCDSE-OALUTQOASA-N 282.431 3.942 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)CC#Cc2ccccc2)C1 1252962160 DZHGTVSJRVVNHG-RDJZCZTQSA-N 269.388 3.513 30 20 CHED Cc1ccc([N+](=O)[O-])c(OCCCC(C)(C)C#N)c1 87609019 SJRHCXYZUUBIFG-UHFFFAOYSA-N 262.309 3.612 30 20 CHED N#Cc1cccc(N(C(=O)[C@@H]2CC23CCC3)C2CCC2)c1 1338057503 IAGUHELIBGCRIC-INIZCTEOSA-N 280.371 3.634 30 20 CHED N#CCc1cccc(NCC[C@@H]2CCc3ccccc32)n1 1330591074 BGPNLSYWUOHXBB-HNNXBMFYSA-N 277.371 3.680 30 20 CHED C#CCCCCN[C@@H](CC)c1ccc(OC)c(OC)c1 90398807 PBEWDWXQUIYOFJ-HNNXBMFYSA-N 275.392 3.548 30 20 CHED CCN(Cc1cc(C#N)ccn1)c1ccc(C)cc1C 1191646298 KXNGMDHMAPTNBU-UHFFFAOYSA-N 265.360 3.597 30 20 CHED Cc1cc(C#N)nc(N[C@H]2CCCc3cnn(C(C)C)c32)c1 1262363928 IEDUOONPZRLRNN-HNNXBMFYSA-N 295.390 3.529 30 20 CHED COc1cc(C)ccc1CNc1ccc(CC#N)cc1 1199514416 MKQCULYKGJFMJP-UHFFFAOYSA-N 266.344 3.682 30 20 CHED C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[C@@H](SC)C1 1341797826 XNBWLOLMQUAVCZ-MELADBBJSA-N 284.469 3.657 30 20 CHED C[C@H]1C[C@@H](C(C)(C)C)CCN1c1cccc(CC#N)n1 1342867207 ZTPQIIMKXXEEEQ-KBPBESRZSA-N 271.408 3.799 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1275465526 WJRKMTVXHIZTCC-KBXIAJHMSA-N 263.381 3.828 30 20 CHED C=C(C)CCC(=O)N1CCCCC[C@@H]1c1ccncc1 1357754835 YQFZPAKIBNLAPY-MRXNPFEDSA-N 272.392 3.882 30 20 CHED CCN(CCc1cccs1)c1nc(Cl)c(C#N)s1 804530808 NUMULXGLRJUSRV-UHFFFAOYSA-N 297.836 3.799 30 20 CHED Cc1cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)ccc1F 1455969878 HCZZEKFZQYUWOF-ZDUSSCGKSA-N 296.345 3.823 30 20 CHED C=C[C@@H](C(=O)N(C)[C@H](C)C1(C)CC1)c1ccccc1 1521244969 YKNPDPOBXXZUGR-UKRRQHHQSA-N 257.377 3.603 30 20 CHED CC[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@H]1CC1(C)C 1464910672 KYBLULZSBBHELQ-KGLIPLIRSA-N 271.364 3.504 30 20 CHED Cc1cc(NC(=O)[C@@H](F)CC2CCCCC2)ncc1C#N 1530235249 UGHXHFJXEBROSW-AWEZNQCLSA-N 289.354 3.509 30 20 CHED Cc1ccccc1CSCc1cccc(C(=O)O)c1C#N 1600583487 RXVKRNQXRCTZCI-UHFFFAOYSA-N 297.379 3.998 30 20 CHED CCN(C(=O)c1sccc1C#N)c1cccc(C)c1F 1535617754 GJLXTPPCVFQHSR-UHFFFAOYSA-N 288.347 3.734 30 20 CHED Cc1cc(C)c2c(c1)CN(Cc1cccc(F)c1C#N)CC2 1462108726 AOZQLTKXEPBWGV-UHFFFAOYSA-N 294.373 3.873 30 20 CHED N#Cc1cccc(C#N)c1Sc1nc2cnccc2s1 1612610598 LIORSEAQWDIQDE-UHFFFAOYSA-N 294.364 3.586 30 20 CHED Cc1nc(N2C[C@@H](C)CCC[C@@H]2C)c(Cl)cc1C#N 1611997241 GPLXDVFBWKRUCO-QWRGUYRKSA-N 277.799 3.930 30 20 CHED N#CCC1(CN2CCc3cc(-c4ccccc4)oc3C2)CC1 1473259758 LSAPZLXPHQPUFJ-UHFFFAOYSA-N 292.382 3.999 30 20 CHED C[C@H](Sc1ccc(C#N)cc1Cl)c1ncccn1 1559387500 XPJLFXLRJZZNKP-VIFPVBQESA-N 275.764 3.855 30 20 CHED N#Cc1ccc(CSc2ccc(-c3ccco3)nn2)cc1 1644052357 WXQKQRIDMQYGFX-UHFFFAOYSA-N 293.351 3.901 30 20 CHED C=C(Cl)CSc1nnc(-c2cccc(OC)c2)o1 1644137228 XMYBWZQBOLMKDJ-UHFFFAOYSA-N 282.752 3.590 30 20 CHED Cc1ccc(CNc2cccc(C#N)c2C)c(F)c1 1656345683 VCRWMEKMYIFCEQ-UHFFFAOYSA-N 254.308 3.926 30 20 CHED C=CC1CCN([C@@H](C(=O)O)c2ccc(F)cc2Cl)CC1 1776150167 ZTQQCMGJSPGONU-CQSZACIVSA-N 297.757 3.503 30 20 CHED CC(C)CCC1CCN(C(=O)NCC2(C#N)CCC2)CC1 1686828649 PVSDCGVYQGPPNT-UHFFFAOYSA-N 291.439 3.538 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H]2CCC=CCCC2)CC1 1776159031 FPSVGMFCAACDAW-MRXNPFEDSA-N 291.435 3.866 30 20 CHED C=C(Cl)CNC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 1683131510 UOMOFXUPGXGIKE-CYBMUJFWSA-N 299.201 3.769 30 20 CHED CC(C)n1ncc2cc(NCc3ccc(C#N)s3)cnc21 169059066 CIOSOLXJSCCAGF-UHFFFAOYSA-N 297.387 3.557 30 20 CHED C=CCN(Cc1cccs1)C(=O)N[C@@H]1C=CCCC1 158215953 ZHHXHJFBSAUYJN-CYBMUJFWSA-N 276.405 3.554 30 20 CHED Cc1c(Cl)cnn1Cc1ccccc1C(C)(C)C#N 158576875 RIHIPEIIFCIKDH-UHFFFAOYSA-N 273.767 3.694 30 20 CHED C=CCC(CC=C)C(=O)NCCc1c(C)cccc1C 165272039 ASPUQNBNPOAHGN-UHFFFAOYSA-N 271.404 3.731 30 20 CHED C#CCCCCNC(=O)N[C@@H](CC)c1cc(F)ccc1F 151029240 WECLYPKLVDWZMS-HNNXBMFYSA-N 294.345 3.519 30 20 CHED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CC#N 153747872 MWCIWQSCKWHPIA-UHFFFAOYSA-N 298.317 3.565 30 20 CHED C=CCSc1nnc(-c2ccc(C)cc2)n1CC 157780890 IAMPQPSCROBJSX-UHFFFAOYSA-N 259.378 3.552 30 20 CHED O=C(/C=C/c1ccc(Cl)s1)c1cc(O)ccc1O 156644579 KCQFVUAJYNTTOP-GORDUTHDSA-N 280.732 3.709 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@H](CC)CCO)cc1 159222168 QIOOPTMURMFLHJ-UKRRQHHQSA-N 297.826 3.630 30 20 CHED COc1cc(C#N)ccc1OCC#Cc1cccc(Cl)c1 159068448 PAOMEBZLTSFQHU-UHFFFAOYSA-N 297.741 3.651 30 20 CHED N#Cc1ccc(OCc2noc(C3CCCCC3)n2)cc1 159124910 LMGNVEDXYLKJHF-UHFFFAOYSA-N 283.331 3.568 30 20 CHED C#CCCCCC(=O)N[C@H](C)c1cc(C)sc1C 119577088 OODITUNTRYUQPF-GFCCVEGCSA-N 263.406 3.736 30 20 CHED C#CCCCCNCc1cc(Cl)ccc1OC(F)F 229743308 HYMWXXALMMYWFH-UHFFFAOYSA-N 287.737 3.835 30 20 CHED N#Cc1cc(NC[C@H]2CCCS2)ccc1C(F)(F)F 124022314 HAQGAFXYHYHUOZ-LLVKDONJSA-N 286.322 3.885 30 20 CHED C[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)C(C)(C)C 125386464 OMMZNGAQMPNPHV-JTQLQIEISA-N 261.325 3.561 30 20 CHED N#Cc1ccc(F)c(CN2CCC[C@@H]3CCCC[C@@H]32)c1 11470494 XDAFLBJQNXQJCS-YOEHRIQHSA-N 272.367 3.852 30 20 CHED CN(Cc1ccccc1Cl)c1ccc(C#N)cc1F 48879297 GYZOHXJUSPJIKV-UHFFFAOYSA-N 274.726 3.987 30 20 CHED N#Cc1ccc(NCCCOC2CCCCC2)cc1 301089218 MLJORAICTHEUHY-UHFFFAOYSA-N 258.365 3.710 30 20 CHED C[C@@H](NCCc1cccc(C#N)c1)c1ccccc1F 503558159 OJJFUVIWFATHJP-CYBMUJFWSA-N 268.335 3.591 30 20 CHED C=C(C)CCSc1ccc(Br)cn1 308350587 YCLBMWUGVXQODC-UHFFFAOYSA-N 258.184 3.902 30 20 CHED Cc1nc(N2CCC[C@@H]3CCC[C@H]32)c(Cl)cc1C#N 311523009 DIILDZXKTJUMQX-SMDDNHRTSA-N 275.783 3.684 30 20 CHED N#Cc1cnc(N[C@H](C2CCC2)C2CC2)c(Cl)c1 413361461 OISOWHDZBQSPFX-CYBMUJFWSA-N 261.756 3.597 30 20 CHED CCc1ccsc1C(=O)N[C@@H](C#N)C1CCCCC1 93938138 CMAGYYRLMBJGNV-ZDUSSCGKSA-N 276.405 3.513 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1ccc(OC)c(F)c1 385220772 RNYZOEHHCZFTNH-NSHDSACASA-N 251.345 3.697 30 20 CHED CC(C)CN(Cc1ccccc1)CC1(CC#N)CC1 1307437133 AHQWVGYBICWCPR-UHFFFAOYSA-N 256.393 3.838 30 20 CHED O=C(O)c1ccc(NN=C2CCCCCCC2)cc1 7890649 XFGVNIHHSOZDIB-UHFFFAOYSA-N 260.337 3.897 30 20 CHED C[C@H](CCc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1O 22727117 WFBQPYSKLGBAAL-RNEAKCBISA-N 298.342 3.741 30 20 CHED CCOc1ccc(/C=C2/Cc3ccccc3C2=O)cc1OC 33765455 PULNMVNRPIGGPQ-GDNBJRDFSA-N 294.350 3.916 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1sccc1C 45935122 URSQNDPDQCIFJF-UHFFFAOYSA-N 271.385 3.885 30 20 CHED C[C@@H](NC(=O)N(C)Cc1ccsc1)c1ccc(C#N)cc1 47051970 RFNRWZTTZCSADD-GFCCVEGCSA-N 299.399 3.522 30 20 CHED C#Cc1cccc(NC(=O)CCc2cccc(C)c2)c1 48429180 MSRXTTXGRDNWRW-UHFFFAOYSA-N 263.340 3.548 30 20 CHED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccccc1 49487676 LNWQKRWPUVZALG-ZHACJKMWSA-N 268.360 3.977 30 20 CHED CCN(C(=O)c1cccc(CC#N)c1)c1cccc(F)c1 49656726 BNQVGOUZAZOVSD-UHFFFAOYSA-N 282.318 3.558 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1cc2ccccc2o1 50212887 IOJIRIMOJOQBFP-UHFFFAOYSA-N 276.295 3.865 30 20 CHED CO[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 50374342 HXODGGNPSQFCDB-CHWSQXEVSA-N 284.281 3.556 30 20 CHED CC[C@@H](CC#N)N[C@H](C)c1ccc(F)c(Cl)c1 54183297 HNSHTYPUUGQRLT-KOLCDFICSA-N 254.736 3.822 30 20 CHED Cc1nnc(NCC[C@@H](C)c2ccccc2)c(C#N)c1C 60394036 SZCLSUNYVQWDGN-GFCCVEGCSA-N 280.375 3.571 30 20 CHED CSC[C@H](C)C(=O)Nc1ccccc1SCCC#N 66774417 CINBXTDMNYHLHX-NSHDSACASA-N 294.445 3.630 30 20 CHED CN(C(=O)c1ccc(-c2ccccc2)cc1)C1(C#N)CCC1 67683976 NKPWVOPCBXAKSL-UHFFFAOYSA-N 290.366 3.872 30 20 CHED CC(C)Oc1ccc2ccccc2c1CN(C)CC#N 72596804 LCUXNTZEVGUUPR-UHFFFAOYSA-N 268.360 3.582 30 20 CHED CC(C)c1cccc(NC(=O)N(CCC#N)CC2CC2)c1 78467255 HZGSVHIPOFVZFY-UHFFFAOYSA-N 285.391 3.968 30 20 CHED C=CCCOCCN[C@H](C)c1cc(Cl)ccc1OC 90883617 QMFDAIPWXZVEQX-GFCCVEGCSA-N 283.799 3.592 30 20 CHED COc1cccc(Sc2snc(Cl)c2C#N)c1 92585204 MAFMDZXDDPGULW-UHFFFAOYSA-N 282.777 3.828 30 20 CHED Cc1nsc(N[C@H](C)CCc2ccccc2)c1C#N 92912525 JIKIZUUFOHJZLX-LLVKDONJSA-N 271.389 3.756 30 20 CHED N#CCOc1cccc(NCc2cc(Cl)cs2)c1 93094084 OJFNBSVVVANCAK-UHFFFAOYSA-N 278.764 3.916 30 20 CHED CC[C@H](CC(=O)Oc1ccc(C#N)cc1OC)C(C)C 104216442 SQTIZPXVTSXDKE-CYBMUJFWSA-N 275.348 3.545 30 20 CHED C=CCCC(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 114126478 QUVFUTVXZWPQIP-UHFFFAOYSA-N 292.342 3.530 30 20 CHED N#CCCN(CCc1ccc(Cl)cc1)CC1CC1 116892557 ORNZOEPQDNRTOD-UHFFFAOYSA-N 262.784 3.508 30 20 CHED Cc1nc(Oc2ccc(C#N)cc2)c2c(C)csc2n1 120349130 WDYQNFQPGGGLLE-UHFFFAOYSA-N 281.340 3.972 30 20 CHED C=CCN(C)C(=O)Nc1cc(Cl)ccc1Cl 122373374 HUKMMNDVDBNVEC-UHFFFAOYSA-N 259.136 3.643 30 20 CHED N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)cc1 124159375 CWYXYTPQVGLBNN-LJQANCHMSA-N 276.383 3.623 30 20 CHED N#Cc1ccc(C[S@@](=O)Cc2cccc(Cl)c2)cc1 124877016 TUYHAFCVMQJIQJ-IBGZPJMESA-N 289.787 3.661 30 20 CHED N#CCN1CCC(COc2cc(Cl)cc(Cl)c2)CC1 125664547 VLPYYHHQCRMUCU-UHFFFAOYSA-N 299.201 3.608 30 20 CHED CCCCCCCC(=O)N1CCc2ccsc2C1 134120938 UZFGXGMFSNMQIP-UHFFFAOYSA-N 265.422 3.993 30 20 CHED CCCCCC(C)(C)CNC(=O)[C@@](C)(C#N)CC 136278074 MBUXTMNAIHNVRK-OAHLLOKOSA-N 252.402 3.649 30 20 CHED C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)C1CCCCCC1 150224952 IFWVFBKTKGJCQB-KDOFPFPSSA-N 286.419 3.540 30 20 CHED C=CCC(CC=C)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 151098058 YQLLQMPDGHTCLY-ZDUSSCGKSA-N 279.343 3.508 30 20 CHED CCC(=O)c1cccc(NCc2cc(C#N)ccc2OC)c1 151952407 COPSFHZCGIYKKM-UHFFFAOYSA-N 294.354 3.772 30 20 CHED CC#CCCSc1nnc(-c2ccccc2Cl)n1C 155029106 BHIRAGDRNOPSQL-UHFFFAOYSA-N 291.807 3.641 30 20 CHED COc1cc(C#N)ccc1CSc1ccccc1O 155128206 ZHUHSVCHWHKSLT-UHFFFAOYSA-N 271.341 3.565 30 20 CHED N#CCCCCSCCc1ccc2c(c1)CCO2 161883010 KXHCTUXVTGAHRI-UHFFFAOYSA-N 261.390 3.591 30 20 CHED CCCc1nc(COc2ccc(C#N)cc2C)cs1 171070834 NXMUKWHCKVRGQP-UHFFFAOYSA-N 272.373 3.855 30 20 CHED Cc1csc([C@@H](C#N)C(=O)c2csc(C(C)C)n2)n1 171145453 AUKLMNBNCJIMHL-VIFPVBQESA-N 291.401 3.522 30 20 CHED C=C(C)COc1cccc(NC(=O)N[C@@H](C)C2CC2)c1 171274762 YYMIRFCISIQOKU-LBPRGKRZSA-N 274.364 3.562 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H](C)c2cccc(F)c2)c1 172973704 FGTRCRAXWMHRQY-CYBMUJFWSA-N 281.330 3.574 30 20 CHED CCC(CC)(C(=O)NCCCCC#N)c1ccccc1 174703554 MWLYFGBYMNBVIO-UHFFFAOYSA-N 272.392 3.554 30 20 CHED Cc1ccc(C)c(C(=O)CCC(=O)OCC2(CC#N)CC2)c1 174746585 FZPPYVJUYPGMQK-UHFFFAOYSA-N 299.370 3.503 30 20 CHED CCSc1ccc(Cl)cc1C(=O)OCCCC#N 175851222 UDWAUZREXGASRK-UHFFFAOYSA-N 283.780 3.913 30 20 CHED C#CCCOC(=O)[C@H](C)c1ccc2ccccc2c1 175952099 ITLKAXWICLVZSG-CYBMUJFWSA-N 252.313 3.510 30 20 CHED Cc1cc(C)c(C(=O)N[C@@](C)(C#N)CCc2ccccc2)o1 176586893 OYQGJINIWGIJKT-GOSISDBHSA-N 296.370 3.541 30 20 CHED C#CCCCNC(=O)Nc1cccc(C(F)(F)F)c1C 178147656 IBHBWSUGDKAFOM-UHFFFAOYSA-N 284.281 3.549 30 20 CHED CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)s1 179327869 FQGQWEVDWLPRCP-UHFFFAOYSA-N 286.400 3.650 30 20 CHED N#CCCN(CCC#N)Cc1cc(Cl)cc(Cl)c1 180043155 NHRKLFPJQBIAQS-UHFFFAOYSA-N 282.174 3.623 30 20 CHED CCc1noc(CC)c1CN[C@@H](C)c1cccc(C#N)c1 181878867 JRFZSASELRBIHN-LBPRGKRZSA-N 283.375 3.522 30 20 CHED CCCCCCCN[C@@H](C[S@@](C)=O)c1ccccc1 183107665 XENWHDBYVIEGLT-QFBILLFUSA-N 281.465 3.666 30 20 CHED C#CCCCCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 183910247 DTWLLIJDQHUQRD-UHFFFAOYSA-N 288.435 3.795 30 20 CHED Cc1cncc(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)c1 184775917 GQFUIPWELWMOQZ-LHRNQBEKSA-N 292.338 3.577 30 20 CHED C#CCC(C)(C)C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 185623871 WEGGAGKYIFQBAT-HOTGVXAUSA-N 283.415 3.749 30 20 CHED C=CCC[C@@H](C(=O)N(C)Cc1ccco1)c1ccccc1 186176650 QANMCRLRVJSFHN-QGZVFWFLSA-N 283.371 3.988 30 20 CHED Cc1oc(-c2ccccc2)c(C(=O)NCCCCC#N)c1C 186634408 YMRHJINSFDANBA-UHFFFAOYSA-N 296.370 3.987 30 20 CHED C[C@@H]1SCCN(Cc2ccc(Cl)cc2C#N)[C@@H]1C 187056831 YWTGJPYXAZDPPE-MNOVXSKESA-N 280.824 3.537 30 20 CHED C[C@@H](c1ccccn1)N(C)Cc1ccc(Cl)cc1C#N 187365853 HCEYLURKICGDNF-LBPRGKRZSA-N 285.778 3.800 30 20 CHED C=CCC1(C(=O)NCC2(c3cccc(F)c3)CC2)CCC1 187957372 XUAADVORYIPMNP-UHFFFAOYSA-N 287.378 3.720 30 20 CHED C=CCCC(=O)Nc1cc(Br)c(F)cc1F 188142646 JPWIQTARJUNSJC-UHFFFAOYSA-N 290.107 3.632 30 20 CHED C=C[C@](C)(CC)C(=O)N1CCCC[C@H](SCC)C1 188390384 GVKSNHKZLDAUMN-DZGCQCFKSA-N 269.454 3.723 30 20 CHED C=C[C@](C)(CC)C(=O)NCc1ccc(OC)c(Cl)c1 188528291 DYAUOPQZPMKSJS-OAHLLOKOSA-N 281.783 3.567 30 20 CHED Cc1cccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)c1C 191394686 KOWZDPANHPZPTG-IBGZPJMESA-N 293.414 3.851 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccc(C3CCC3)cc2)C1 192263133 NVKONJWWRFAJCX-LRDDRELGSA-N 269.344 3.803 30 20 CHED COc1ccc(C(=O)/C=C\c2ccsc2)cc1F 206165139 RABBHRMIPKLNEK-RQOWECAXSA-N 262.305 3.792 30 20 CHED COc1cccc(C(=O)/C=C\c2cc(F)ccc2F)c1 206946277 ZVJWYQBLWYWLJH-YVMONPNESA-N 274.266 3.870 30 20 CHED O=C(/C=C\c1cccc(O)c1)c1cccc(OC(F)F)c1 211169289 GXDJXMZLOIXPOL-FPLPWBNLSA-N 290.265 3.890 30 20 CHED Cc1ccc(CC(=O)Nc2ccc(C#N)cc2Cl)cc1 225779416 HRMBPSGNJCTPJA-UHFFFAOYSA-N 284.746 3.701 30 20 CHED N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)s1 247114274 FEIZSWBPVRVPDU-NFWSPEMXSA-N 272.417 3.534 30 20 CHED COc1cccc(C=Nc2ccccc2Cl)c1O 254301203 XXXYNKHGNYDKPN-UHFFFAOYSA-N 261.708 3.805 30 20 CHED N#Cc1ccc(/C=C\C(=O)c2c[nH]c3ccccc23)s1 255540227 PQEBTWSCDUIWCR-FPLPWBNLSA-N 278.336 3.997 30 20 CHED C[C@H]1c2ccccc2CCN1Cc1ccc(OCC#N)cc1 264541821 HRZOTPIJOBGDEA-HNNXBMFYSA-N 292.382 3.708 30 20 CHED Cc1cc(C)c2ncc(C#N)c(NCCCCC#N)c2c1 266431304 UKPNKLQVYGYTJE-UHFFFAOYSA-N 278.359 3.829 30 20 CHED Clc1ccc(C#CCS[C@H]2CCCOC2)cc1 272505020 VAGHTHKTSDVVEE-AWEZNQCLSA-N 266.793 3.604 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1ccc(N(C)C)cc1C 276150921 PBNULQDKYOOMED-MRXNPFEDSA-N 260.381 3.602 30 20 CHED C=CCCCCCN(C)C(=O)[C@@H]1CC(=O)c2ccccc21 277336504 XXWWEQILOIUCGC-MRXNPFEDSA-N 285.387 3.561 30 20 CHED CC(C)(C#N)CC(=O)Nc1nc(-c2cccs2)cs1 278221295 JDKYSARLTXUFKN-UHFFFAOYSA-N 291.401 3.750 30 20 CHED N#C[C@@H]1CCC[C@@H](NCCc2nc3ccccc3s2)C1 278246826 MCFAFHJYMJBHGL-CHWSQXEVSA-N 285.416 3.511 30 20 CHED CC[C@H](N[C@@H](C)c1cccnc1)c1ccc(C#N)cc1 278256010 NDILOBFCWAQVTH-GUYCJALGSA-N 265.360 3.755 30 20 CHED CCN(C[C@H]1CCSC1)[C@@H](C)c1ccc(C#N)cc1 278374522 CBUJBFVYTAIHAA-DZGCQCFKSA-N 274.433 3.694 30 20 CHED N#Cc1cccc(N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)n1 283407685 FUCAYEDEAMCXRU-QZTJIDSGSA-N 287.366 3.778 30 20 CHED C=CCC[C@@H](NCC1(CCOC)CC1)c1ccco1 286089892 LZLUCULHFZYUQK-CQSZACIVSA-N 263.381 3.693 30 20 CHED CC(C)(C#N)CCSCCc1ccc([N+](=O)[O-])cc1 289501219 ZIVHJTLXHZLWOJ-UHFFFAOYSA-N 278.377 3.810 30 20 CHED CC[C@](C)(C#N)c1nc(-c2cccc(Cl)c2F)no1 289855311 UJJGLGLBGMMQCM-CYBMUJFWSA-N 279.702 3.720 30 20 CHED COC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 290142677 CGXZNQYQVPZRGS-RCBQFDQVSA-N 292.810 3.699 30 20 CHED N#CCCCC(=O)Oc1cc(Cl)ccc1Cl 291090715 HVLKWJUKODLVEU-UHFFFAOYSA-N 258.104 3.593 30 20 CHED C=CCCCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1 291109506 BUPUWHHRHUSWFF-UHFFFAOYSA-N 283.375 3.784 30 20 CHED CN(C)C(=O)Nc1cccc(NCC(C)(C)CCC#N)c1 294728897 DERVRQFYGLYBLY-UHFFFAOYSA-N 288.395 3.522 30 20 CHED N#Cc1cccnc1N[C@H](c1ccccc1)c1nccs1 301184764 JBUFVCKOMAPDAT-CQSZACIVSA-N 292.367 3.611 30 20 CHED Cc1nc2ccccc2nc1NCc1cc(C#N)ccc1F 301453405 GMQMQTVIDIUPSX-UHFFFAOYSA-N 292.317 3.561 30 20 CHED C=CCOc1ccccc1CNc1nc(C2CC2)ns1 301511033 KMVITHBSIXMCLV-UHFFFAOYSA-N 287.388 3.592 30 20 CHED C=CCN[C@@H](c1cc(F)cc(Br)c1)C1CC1 309499877 LGQIRQKTXSBWPZ-CYBMUJFWSA-N 284.172 3.815 30 20 CHED C[C@H](C#N)OCCOc1ccc(OCc2ccccc2)cc1 309997509 NNYMDQZPOJHNBN-OAHLLOKOSA-N 297.354 3.573 30 20 CHED CC(C)[C@@H]1CCC[C@H](/N=C(/O)[C@@H]2CCc3n[nH]cc3C2)C1 328884926 YUZHRXRSDGUSQH-NFAWXSAZSA-N 289.423 3.686 30 20 CHED O/C(=N/[C@@H]1CC12CCCCC2)c1ncoc1C1CC1 329002591 HGEUURFSWLNYJF-LLVKDONJSA-N 260.337 3.579 30 20 CHED O/C(=N/Cc1ccno1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329081500 DCYNFNDAIKVCFY-IACUBPJLSA-N 262.353 3.738 30 20 CHED CC1(C)CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 329506036 WTOCCBGQBTZIAS-OAHLLOKOSA-N 282.387 3.550 30 20 CHED Cc1ccn(-c2ccccc2N=C(O)C2CCC(=O)CC2)n1 329881841 PAIGBAPYPMUVLT-UHFFFAOYSA-N 297.358 3.528 30 20 CHED CC(C)(C)Cc1csc(N=C(O)c2csc(O)n2)n1 329951301 MTXDVHKMCWRZRH-UHFFFAOYSA-N 297.405 3.530 30 20 CHED CCCC1CCC(/N=C(/O)C(=O)c2ccc[nH]2)CC1 331286316 ABUAXVFJSGXYEY-UHFFFAOYSA-N 262.353 3.513 30 20 CHED CC(C)Oc1ccc(/C(O)=N/[C@@]2(C)CC=CCC2)cn1 331310785 BUUFPVMBWBEHSO-INIZCTEOSA-N 274.364 3.672 30 20 CHED CC(C)(C)c1cc(C#N)c(NC(=O)[C@H]2CC2(C)C)s1 331485543 MHSCEAXHRBTEIF-SNVBAGLBSA-N 276.405 3.902 30 20 CHED COc1ccc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 334166911 AHLKALJMIIQEPJ-RHSMWYFYSA-N 284.403 3.567 30 20 CHED Cc1cc(F)c(CN2CCC(C#N)CC2)c(Cl)c1 334562966 XWIXRVKNMYGTQG-UHFFFAOYSA-N 266.747 3.523 30 20 CHED CC(=O)c1ccc(Oc2ncc(C#N)cc2Cl)c(C)c1 335444596 XOXLDQAPRVGYSK-UHFFFAOYSA-N 286.718 3.910 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC=C(c2ccc(O)cc2)CC1 335660034 CGAVOAHECSITNY-UHFFFAOYSA-N 285.387 3.610 30 20 CHED CCN(CCc1cccs1)C(=O)c1cccc(C#N)c1C 337757166 MMXQRAOKPOOMLG-UHFFFAOYSA-N 298.411 3.633 30 20 CHED C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCC1 337808500 JOGGQOFJTGSYAW-INIZCTEOSA-N 296.418 3.606 30 20 CHED COC1(CCNc2ccc(C#N)cc2C(F)(F)F)CCC1 338730795 CTGFRCGYRKHQME-UHFFFAOYSA-N 298.308 3.948 30 20 CHED CN1CCCC[C@@H]1CCSc1ccc(C#N)cc1F 340697333 ZVNPBKYMUJJRSO-CYBMUJFWSA-N 278.396 3.664 30 20 CHED C=CCC(C)(C)c1noc(CCn2cnc3ccccc32)n1 340786347 CRRFDQRUBFLYNM-UHFFFAOYSA-N 296.374 3.516 30 20 CHED C[C@H]1Cc2ccccc2CN1Cc1cccc(C#N)c1F 340876999 BZGJSKPOOXJOQR-ZDUSSCGKSA-N 280.346 3.644 30 20 CHED Cc1cccc(F)c1NCCCC1(C#N)CCOCC1 347851260 OXPHSEZBFQHUCZ-UHFFFAOYSA-N 276.355 3.647 30 20 CHED COCc1ccccc1/C=C(\C)CNCC1(CC#N)CC1 353293178 ZSBDJTZLZWJWII-RVDMUPIBSA-N 284.403 3.520 30 20 CHED Cc1cc(CN(CCC#N)CC(C)(C)C)ccc1F 353422900 PFXAOMHYBTYCHZ-UHFFFAOYSA-N 262.372 3.896 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1Cc2ccccc21 353808722 SEOMYLQUCLTQFE-INIZCTEOSA-N 283.396 3.603 30 20 CHED N#Cc1cccnc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 354748433 QFSVDUOLYRPXSP-GZBFAFLISA-N 255.365 3.724 30 20 CHED N#Cc1ccc(SCC(=O)C2(c3ccccc3)CC2)cc1 356060115 MWEGVNRHTNZYCU-UHFFFAOYSA-N 293.391 3.951 30 20 CHED C=CCCO[C@@H](C)c1nc([C@@H](C)C(C)(C)C)no1 356885852 XWIQQCSYBKKVGO-MNOVXSKESA-N 252.358 3.873 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(SCC#N)c1 357165385 XUPBPNDDMJNVKG-JSGCOSHPSA-N 288.416 3.705 30 20 CHED CCS[C@H](C)c1noc(/C=C\c2ccccc2C#N)n1 357323313 FVKBBEPKDAQHKP-TYBABMIJSA-N 285.372 3.926 30 20 CHED Cc1ccncc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 358185892 MNZLESUXIHGQGU-UHFFFAOYSA-N 293.370 3.565 30 20 CHED Cc1ccsc1CCNc1ncc(C#N)cc1Cl 358460514 ZZCABMHDIYUGBM-UHFFFAOYSA-N 277.780 3.631 30 20 CHED C=CC[C@H](C(=O)Nc1cnc(C(C)C)nc1)c1ccccc1 358471638 ARURNLFPQKNLIY-INIZCTEOSA-N 295.386 3.898 30 20 CHED C[C@@H]1CCC[C@@H](C)N(C(=O)NCC(C)(C)CCC#N)C1 358678696 FEIGOIMNDDSOFZ-ZIAGYGMSSA-N 279.428 3.536 30 20 CHED Cc1ccc(SCCn2ccc(C#N)c2)cc1C 359055477 MWZPXQDNVHHKSZ-UHFFFAOYSA-N 256.374 3.769 30 20 CHED C=CCC1(C(=O)NCc2cnc3ccccc3c2)CCC1 359330216 HPHYXCWIPLPLOO-UHFFFAOYSA-N 280.371 3.597 30 20 CHED CC(C)[C@@H](NC(=O)CCCC#N)c1ccccc1Cl 360282274 ITRIIPTVULWBKI-OAHLLOKOSA-N 278.783 3.847 30 20 CHED C=CCSc1ccccc1C(=O)N(C)Cc1cccnc1 362387251 PIECSFAJXOILAZ-UHFFFAOYSA-N 298.411 3.632 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(-c2ccccc2)ns1 362664811 JJPNMHOLVLURSJ-SNVBAGLBSA-N 273.361 3.506 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(-c2nc(C)cs2)c1 362680371 RMXFRTUYLRQQHD-SNVBAGLBSA-N 287.388 3.815 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@H](NCC2(CC#N)CC2)C1 366967579 YOEVVUDGMUUBHV-CVEARBPZSA-N 283.419 3.700 30 20 CHED N#CCC(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 375968070 HSHIRXJUNJBGLF-HUUCEWRRSA-N 290.794 3.786 30 20 CHED C=CC[C@@H](CC)NCc1cc(Cl)c2c(c1)OCCO2 393767054 CJCVZGOJSVRQEO-GFCCVEGCSA-N 281.783 3.556 30 20 CHED C=CC[C@@H](CC)NCc1cc(OC)ccc1Br 393801790 MIEPOUKIFPUVKO-GFCCVEGCSA-N 298.224 3.902 30 20 CHED Cc1cc(C(C)(C)C)ccc1Oc1cncc(C#N)n1 401347261 VRPPJURFQHTUNT-UHFFFAOYSA-N 267.332 3.747 30 20 CHED C=CCC1(C(=O)N2CCC[C@H]3CCC[C@@H]32)CCCC1 410523299 BUFXDHMXSLNAEC-CABCVRRESA-N 261.409 3.914 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 413468509 HQIOSTNNMKFMEG-RCCFBDPRSA-N 296.414 3.699 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)NCC1(C#N)CCC1 417060462 ASIJBDQSHIYCSZ-UHFFFAOYSA-N 299.418 3.935 30 20 CHED Cc1ccc([C@@H]2CCC[C@@H]2NCC2(C#N)CCC2)cc1 418137959 FPFFYTUZYWODAQ-IRXDYDNUSA-N 268.404 3.915 30 20 CHED C=CCOCCS[C@@H](C)c1nc(-c2ccccc2)no1 419449228 YJFXNLZNHLAVQF-LBPRGKRZSA-N 290.388 3.733 30 20 CHED N#C[C@H]1CC[C@@H](NCc2cscc2C(F)(F)F)C1 424195879 DSOCBJNXSSBFCO-WCBMZHEXSA-N 274.311 3.549 30 20 CHED Cc1cc(S(=O)(=O)CCC2=CCCCC2)ccc1C#N 424212219 ZXACLUCYHLYHAD-UHFFFAOYSA-N 289.400 3.531 30 20 CHED CCC(C)(C)N(CCC#N)C(=O)[C@H]1CCCC[C@H]1C 425560690 MAGVMDIJTQOYLI-KGLIPLIRSA-N 264.413 3.744 30 20 CHED C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](C)C1CCCCC1 425612824 RIJLIIOOIISMFS-RZLSGREXSA-N 291.439 3.583 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(C1CC1)C1CC1 425638395 MZCQQDWAGNDOOH-LBPRGKRZSA-N 282.387 3.514 30 20 CHED C=CCC(C)(C)c1nc(Cc2ccc(OC)cc2F)no1 426449108 TWCUVQJHPRBFER-UHFFFAOYSA-N 290.338 3.662 30 20 CHED N#Cc1cc(Cl)ccc1CN1CC[C@H]2CCC[C@H]21 426469782 RKBXURWBYCNEJW-IAQYHMDHSA-N 260.768 3.586 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](OC(C)C)c1ccccc1 429906499 HTSQFKUYOZZBAK-MRXNPFEDSA-N 275.392 3.577 30 20 CHED Cc1oc2ccccc2c1CNCC1(CC#N)CC1 430027539 RZIOSIXVGMNONO-UHFFFAOYSA-N 254.333 3.525 30 20 CHED C=CCNC(=O)N[C@H](c1ccccc1C)C(C)(C)C 430966110 MLHDZHLNYZRLGK-CQSZACIVSA-N 260.381 3.567 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1cc(F)cc(Cl)c1 431833147 NLNFWZYRLXCAAY-UHFFFAOYSA-N 288.709 3.912 30 20 CHED N#Cc1ccc(N2CCCC[C@H]2c2ccc(F)cc2F)nc1 432055131 PCQHJCKTLLFTGV-INIZCTEOSA-N 299.324 3.963 30 20 CHED C=CCC[C@H](NC(=O)N[C@H](C)CC=C)c1ccccc1 435108953 QCHISDMDDRQIJG-ZBFHGGJFSA-N 272.392 3.958 30 20 CHED N#Cc1cccc(C2(c3nc(-c4ccsc4)no3)CC2)c1 435230316 OSFISYADSLECHM-UHFFFAOYSA-N 293.351 3.750 30 20 CHED C=CCC[C@@H](NCCc1ccn(-c2ccccc2)n1)C1CC1 439006491 XBGHGTPLQJUIKM-LJQANCHMSA-N 295.430 3.749 30 20 CHED C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1CC#N 441064944 INKXQKCAJJOGAW-HNAYVOBHSA-N 276.383 3.589 30 20 CHED CCc1ccc(C(C)(C)CN[C@H]2CC[C@H](C#N)C2)cc1 442799209 ZQZMVICJFKMBJJ-RDJZCZTQSA-N 270.420 3.808 30 20 CHED CC(C)[C@@H]1CCCCN1c1ccc(C(F)(F)F)c(C#N)n1 443507549 BNFKDMWNBJRNHX-ZDUSSCGKSA-N 297.324 3.987 30 20 CHED C=CCC1(C(=O)NCC[C@@H](OCC)C(C)C)CCCC1 450014449 DGJKBSHVETVEQI-OAHLLOKOSA-N 281.440 3.690 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1ccsc1 453354068 NAGGBSNBOZCTAI-MCIONIFRSA-N 251.395 3.522 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(Cl)cc1C 454160822 LAOFOYOROOOKPU-UHFFFAOYSA-N 252.745 3.736 30 20 CHED C=C(CC)CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 455523183 NUCBKTKEHBMPGP-UHFFFAOYSA-N 299.418 3.692 30 20 CHED C=CCC1(NC(=O)N[C@@H](C)C(C)(F)F)CCCCC1 455771113 BZIYLVPFGURQSQ-NSHDSACASA-N 274.355 3.608 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1scnc1C(C)C 456441919 RYZSYJKKOKDSRB-ZDUSSCGKSA-N 252.383 3.807 30 20 CHED CCCC[C@H]1CCC[C@H]1NC(=O)NCC(C)(C)CC#N 458246166 GMVYLYPBSRDWPE-UONOGXRCSA-N 279.428 3.584 30 20 CHED C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCC(C)(C)CC#N 459260365 POGOUVUVANPMQO-GDBMZVCRSA-N 299.418 3.514 30 20 CHED CCCC(CCC)C(=O)N(CC#N)c1ccccc1 460063255 NENUSXYBGLCHGI-UHFFFAOYSA-N 258.365 3.760 30 20 CHED C[C@@H](C(=O)N1CCC[C@H]1C1CCCC1)c1cccc(C#N)c1 461930996 KMHYQLVWZRCKKM-KDOFPFPSSA-N 296.414 3.843 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1Cc1ccccc1 466404861 DEZLCJIBVUYIPW-IAGOWNOFSA-N 286.419 3.758 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 466711754 UZQRXDQJVATFHR-UHFFFAOYSA-N 285.391 3.848 30 20 CHED C=CCN1CCC[C@@H]1c1cc(F)cc(Br)c1 467191149 NHSIQTMMOFJQJW-CYBMUJFWSA-N 284.172 3.911 30 20 CHED C=CCN1CCC[C@H]1c1cc(F)cc(Br)c1 467191150 NHSIQTMMOFJQJW-ZDUSSCGKSA-N 284.172 3.911 30 20 CHED N#Cc1cccc(CCN[C@H]2Cc3ccc(Cl)cc3C2)c1 467461741 YZOMVGAKVBHATG-SFHVURJKSA-N 296.801 3.511 30 20 CHED C=C(C)C[C@H](C)C(=O)N(C)Cc1cc(F)cc(F)c1 470085814 IAQNIWWRZHWYJB-NSHDSACASA-N 267.319 3.526 30 20 CHED C=CCCCCNC(=O)C1(c2ccccc2)CCCC1 471666552 BOFWLEYXTLKUML-UHFFFAOYSA-N 271.404 3.971 30 20 CHED C=CCCCCNC(=O)c1cc(SC)ccc1C 471676559 MCUBMAGUVSGENJ-UHFFFAOYSA-N 263.406 3.803 30 20 CHED C=CCCCCNC(=O)[C@@H](C)CCc1cccc(F)c1 471708762 GYNNPPDQDFOCTD-AWEZNQCLSA-N 277.383 3.867 30 20 CHED C=C(C)CN(Cc1cc(OC)ccc1OC)C(C)(C)C 474167272 BUSQGCJIIWOYKY-UHFFFAOYSA-N 277.408 3.880 30 20 CHED C=CCOCC(=O)N(CC(C)C)c1ccc(Cl)cc1 475063773 GPYOESOWGPROMD-UHFFFAOYSA-N 281.783 3.532 30 20 CHED CC#CCCCC(=O)N[C@H](C)c1cc2cccc(F)c2o1 475747885 FSJVMRQNCLASQO-GFCCVEGCSA-N 287.334 3.943 30 20 CHED CN(Cc1ccc(Cl)cc1C#N)c1ccccc1 480519788 BKLRWVIUGIESSA-UHFFFAOYSA-N 256.736 3.848 30 20 CHED C[C@H]1C[C@@H](C)N(Cc2ccc(C#N)cc2Br)C1 481057076 MVKQYWVRIRRESO-WDEREUQCSA-N 293.208 3.551 30 20 CHED CCCN(CCc1cccc(F)c1)C(=O)CC(C)(C)C#N 485544346 LRZSOPDVRGQMST-UHFFFAOYSA-N 290.382 3.547 30 20 CHED N#Cc1ccc(Cl)cc1OCc1cccc(F)c1C#N 488281441 OOKKADRXRKHAJR-UHFFFAOYSA-N 286.693 3.801 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1csc(-c2ccccc2)n1 488840284 OHIVVCYKFMFHHO-CQSZACIVSA-N 298.411 3.991 30 20 CHED C=C[C@@H]1CCCCN1C(=O)CCCOc1cccc(F)c1 488842003 RRRMSURDPVMDEZ-OAHLLOKOSA-N 291.366 3.552 30 20 CHED CC(C)(CCC#N)CNC(=O)/C=C/c1ccc(Cl)s1 493848530 DPDKEELBOIMWRS-FNORWQNLSA-N 296.823 3.861 30 20 CHED C=CCN(C)Cc1csc(Nc2ccc(C)cc2)n1 494637287 ZZYIMIYYDUKYFF-UHFFFAOYSA-N 273.405 3.813 30 20 CHED CCC1(CC)CN(C(=O)C2(C#N)CCC2)c2ccccc21 500868489 SNIQRGJUDZJXOK-UHFFFAOYSA-N 282.387 3.785 30 20 CHED C=C(C)CCN(Cc1ccc(F)cc1F)C1CC1 509325580 CFRWXUUKBPIJCB-UHFFFAOYSA-N 251.320 3.895 30 20 CHED C=C1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 513449166 YGKJMJUIGZPDGW-UHFFFAOYSA-N 273.273 3.997 30 20 CHED CC(C)CC[C@H](C)Nc1ncc(C#N)cc1Cl 513625866 UBBOHYSGEKMWRS-JTQLQIEISA-N 251.761 3.843 30 20 CHED C=CCOCCCSc1c(F)cc(F)cc1F 526997260 SXHFUHWWPBLUPO-UHFFFAOYSA-N 262.296 3.789 30 20 CHED Cc1cccc(C)c1CCNCc1ccc(C#N)cc1F 532569915 XIZSKGBNDHHKLK-UHFFFAOYSA-N 282.362 3.647 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)CCC1CCCCC1)OCC 533679307 DRHDVBMGYGPYAU-MRXNPFEDSA-N 281.440 3.787 30 20 CHED Cc1cc2nnc(SCC3(C#N)CC3)n2c2ccccc12 534305988 RMCTTWSEKYGCCU-UHFFFAOYSA-N 294.383 3.587 30 20 CHED C=CCCOCCNC(=O)Nc1ccc(CCCC)cc1 534593577 NFQSORWNZZEJKY-UHFFFAOYSA-N 290.407 3.743 30 20 CHED C=CCN(C(=O)[C@@H](c1ccccc1)[C@H](C)CC)C1CC1 537172128 AQOKYAFATWVCHU-RHSMWYFYSA-N 271.404 3.993 30 20 CHED C=CCCC[C@@H](C)NC(=O)NCc1ccc(C)s1 537187450 GWXGWWOWHVMYKW-LLVKDONJSA-N 266.410 3.601 30 20 CHED Cc1ccccc1OCCN[C@@H](C)c1ccc(C#N)c(F)c1 537406354 DDFORKYOOCUSIR-AWEZNQCLSA-N 298.361 3.735 30 20 CHED COc1ccc2c(c1)CCCN(CC(C)(C)CCC#N)C2 537636885 JLUJWQIIOBFNPK-UHFFFAOYSA-N 286.419 3.773 30 20 CHED C=CCOc1ccc(CN[C@]2(C)CCCOC2)cc1Cl 537865969 DPPDEQNXFLLXQI-MRXNPFEDSA-N 295.810 3.564 30 20 CHED C=CCSCCN[C@H](Cc1ccccc1)C1CC1 541897182 QJQZYKWBZLRDKZ-MRXNPFEDSA-N 261.434 3.517 30 20 CHED Cc1cccc([C@H]2CCCN2c2nccc(C)c2C#N)c1 542207089 NXVSDUSZMUQFNG-QGZVFWFLSA-N 277.371 3.912 30 20 CHED CS[C@H](CN[C@H](C)c1ccc(C#N)cc1)C(C)(C)C 542500836 ZRLNSYQBRAEVGU-IUODEOHRSA-N 276.449 3.987 30 20 CHED CC1(C)CCCC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 548287821 MNFOAZAZRVWGHI-CQSZACIVSA-N 290.794 3.910 30 20 CHED C[C@](C#N)(NC(=O)[C@@H]1CC12CCCC2)C1CCCCC1 550748064 OAKVYYNFXXNZHR-GOEBONIOSA-N 274.408 3.545 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(C(C)=O)cc2)n1 551499136 KZOSOWKIUDHQRX-UHFFFAOYSA-N 270.332 3.793 30 20 CHED Cc1cscc1C(=O)N[C@@](C)(C#N)C1CCCCC1 555904274 JLNVUBYMOJMOAT-HNNXBMFYSA-N 276.405 3.649 30 20 CHED N#Cc1ccc(Sc2cc(Cl)ccc2F)nc1 561338268 OGKWUFPODNJBCM-UHFFFAOYSA-N 264.712 3.897 30 20 CHED CC(C)Oc1ccccc1[C@H](C)N[C@H](C)CCC#N 563220109 ORHJAHGIXAWQNG-KGLIPLIRSA-N 260.381 3.817 30 20 CHED CC(C)CC1(C)CCN(CCCSCC#N)CC1 563895240 ZCNFIRLSRITTKV-UHFFFAOYSA-N 268.470 3.781 30 20 CHED CC(C)Oc1cccc(-c2noc(CC(C)(C)C#N)n2)c1 564235149 SAJROJFBOHMPFE-UHFFFAOYSA-N 285.347 3.616 30 20 CHED C[C@](C#N)(NC(=O)CC1CCCC1)C1CCCCC1 566993187 ONMWTRAHAYDZCO-MRXNPFEDSA-N 262.397 3.545 30 20 CHED C=CCCCN(C)c1nnc([C@H](C)CC)n1C1CC1 568111642 GUXDXLJZXAAAIJ-GFCCVEGCSA-N 262.401 3.529 30 20 CHED CSc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)s1 569866413 INTADWKZLDVTGN-LBPRGKRZSA-N 280.462 3.984 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1nc(C)c(C#N)cc1Cl)CO2 570375136 ZZORRBKNEWETGD-CQSZACIVSA-N 299.761 3.769 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CC12CCCC2 571267556 XXCAABYKVZEPHB-DLBZAZTESA-N 294.398 3.632 30 20 CHED CC[C@@H](NC[C@@H](C)CN1CCCCC1)c1ccc(C#N)cc1 572708176 WRNODFJFJZSGDF-VQIMIIECSA-N 299.462 3.721 30 20 CHED N#Cc1ccccc1CSCCCC1CCOCC1 578483107 ONPOZTQQELEACV-UHFFFAOYSA-N 275.417 3.998 30 20 CHED Cc1cc(N2C[C@H](C)C[C@@H]2c2ccccc2)cc(C#N)n1 578897790 SMYTWTOQYDCOOQ-FZKQIMNGSA-N 277.371 3.849 30 20 CHED CC1=C(C)C[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC1 582548403 XDDJIHTVMHPICK-OAHLLOKOSA-N 276.424 3.911 30 20 CHED C=CCC(C)(C)CN[C@@H](C)c1cc(C(=O)OC)cs1 583243475 BRKKVLWBCAMSEV-NSHDSACASA-N 281.421 3.788 30 20 CHED COc1ccccc1[C@H](CC(C)C)NC[C@@H](C#N)CCC#N 584405406 FGBZOJLBMGZFMV-WBVHZDCISA-N 299.418 3.816 30 20 CHED N#CCCCCCC(=O)Nc1cccc2c1CCCC2 588149392 BAQCJWUGFUPNEX-UHFFFAOYSA-N 270.376 3.978 30 20 CHED COc1cccc(C=Nc2cccc3ccn(C)c23)c1O 588564434 FKOYVVGUKWRMSO-UHFFFAOYSA-N 280.327 3.643 30 20 CHED C[C@H](NC(=O)CCCCCC#N)C(C)(C)c1ccccc1 588639101 JDOBLQOEGSSDGF-HNNXBMFYSA-N 286.419 3.943 30 20 CHED CCc1cc(=NC(=O)CCCCCC#N)c2ccccc2[nH]1 588953350 TVVHTFDLZLCJAD-UHFFFAOYSA-N 295.386 3.632 30 20 CHED N#C[C@H]1CC[C@H](N2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 590166109 PWUQHWWSYCTKBL-AAEUAGOBSA-N 299.805 3.872 30 20 CHED COc1ccc(-c2ccsc2)cc1C1(C#N)CC1 592985227 JXEDCOJJBMSPNO-UHFFFAOYSA-N 255.342 3.979 30 20 CHED N#Cc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)s1 592988130 FZHQINTYGYRVID-UHFFFAOYSA-N 294.379 3.859 30 20 CHED C[C@H]1C[C@@H](CC(=O)N(C)c2ccc(C#N)nc2)CC(C)(C)C1 593275063 YDFJKAOVWFVRNN-KBPBESRZSA-N 299.418 3.769 30 20 CHED C[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)c1ccccc1 593934668 POTVBEMUAZIBMD-CABCVRRESA-N 292.382 3.614 30 20 CHED C[C@@H](CCc1cccc(F)c1)NCCc1ccc(C#N)cc1 595056791 WJWPWKFZPNTKRP-HNNXBMFYSA-N 296.389 3.851 30 20 CHED N#Cc1ccc(CCN2CCC[C@H]2c2ccsc2)cc1 595294748 DSJITFMYXQAACZ-KRWDZBQOSA-N 282.412 3.999 30 20 CHED CCS[C@H]1CC[C@H](N(C)CCc2ccc(C#N)cc2)C1 595329679 AJCJEUWPBZOIDO-IRXDYDNUSA-N 288.460 3.707 30 20 CHED Cc1ccc(-c2cnc(CN3CCC[C@@H](CC#N)C3)o2)cc1 595615773 SUNYYMOYKOFBCX-HNNXBMFYSA-N 295.386 3.776 30 20 CHED CC(C)N(Cc1ccco1)C(=O)CC1(C#N)CCCCC1 596975969 VLUHUJDHUXMELU-UHFFFAOYSA-N 288.391 3.881 30 20 CHED CCOc1ccc(C#N)cc1NC1CCC(OCC)CC1 597083302 XZZJGNATWGCDPN-UHFFFAOYSA-N 288.391 3.717 30 20 CHED C[C@@H](CC(C)(C)C)NC(=O)CC1(C#N)CCCCC1 597754932 JTHKFUAURBHZKA-ZDUSSCGKSA-N 264.413 3.791 30 20 CHED Cc1ccc2occ(CC(=O)N[C@@](C)(C#N)CC(C)C)c2c1 599236898 ONVPJRXZYZAIRO-GOSISDBHSA-N 298.386 3.728 30 20 CHED C[C@@H](CN(C)C[C@H](C#N)CCC#N)C1CCCCC1 599632751 CJQLCVCHROCXEB-GJZGRUSLSA-N 261.413 3.578 30 20 CHED C[C@@H]1CCN(CCOc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 603846869 FPDNGWGJTWDOCG-ATZDWAIDSA-N 298.430 3.838 30 20 CHED Cc1ccc(CCC(=O)Nc2ccc(F)c(C#N)c2)c(C)c1 609102553 VESVVANLCNGVFS-UHFFFAOYSA-N 296.345 3.886 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N(CCC#N)CC(C)(C)C 609191994 WLQYZUNJZAAABK-HUUCEWRRSA-N 278.440 3.991 30 20 CHED Cc1cccc2c1CCN2c1ncc(C#N)cc1Cl 609630949 XLOHYPLLSPMGAF-UHFFFAOYSA-N 269.735 3.609 30 20 CHED C=C(C)CN(CC)C(=O)N[C@H](c1cccs1)C1CC1 612284250 KWZVSJPQHGWVNZ-AWEZNQCLSA-N 278.421 3.807 30 20 CHED CCCCNc1ccccc1C(=O)N1CCC[C@](C)(C#N)C1 612397481 UMIMEWVNGJAQMN-GOSISDBHSA-N 299.418 3.664 30 20 CHED Cc1cccc(F)c1NC(=O)N[C@H](C)c1cccc(C#N)c1 613147027 LVLCATSXSWXSCE-GFCCVEGCSA-N 297.333 3.889 30 20 CHED N#Cc1cc(CN[C@@H]2CCCC[C@@H]2c2ccccc2)ccn1 614326205 YTMCLBDUHCAHGE-RTBURBONSA-N 291.398 3.769 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cccc(F)c2SC)C1 617779656 GELKVVSOHIJBPX-LBPRGKRZSA-N 293.407 3.976 30 20 CHED C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc(C#N)c(Cl)c1 619766799 GQFJOBPTNSNZJH-WCQYABFASA-N 290.794 3.654 30 20 CHED C=CCCCNC(=O)N[C@H](CCc1ccccc1)C(F)F 623964615 MCSSRKFPLQIELR-CQSZACIVSA-N 296.361 3.518 30 20 CHED C=CCC1(NCc2noc(C3CCC3)n2)CCCCC1 625933657 KXAZUWMSLQTTHJ-UHFFFAOYSA-N 275.396 3.706 30 20 CHED CN1CCC(=O)C[C@H]1c1ccc(-c2ccc(C#N)cc2)cc1 629711895 HOWQVIBWBKKWJY-IBGZPJMESA-N 290.366 3.561 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC[C@H]1CCCCO1 657970703 FQTAODJTJTXKJF-OAGGEKHMSA-N 251.414 3.670 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCO[C@@H](C2CC2)C1 657980932 UDNZBXQTKIIIHY-BSWAZPDLSA-N 263.425 3.669 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NCC1CCN(C2CC2)CC1 657993890 MQPIVQNESBBXEQ-AEFFLSMTSA-N 276.468 3.585 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NCc1cccnc1N1CCCC1 658106522 QFRUNMVNZXSSOL-SJLPKXTDSA-N 299.462 3.906 30 20 CHED C=CC[C@H]1CCCN(c2nnc(C(C)C)n2CC(=C)C)C1 669309406 HWQPOPXBBSREGG-HNNXBMFYSA-N 288.439 3.770 30 20 CHED C=C(C)CCc1noc([C@H]2CCN(c3ccccc3)[C@H]2C)n1 685384967 MQQPJPJSISHFMO-HOCLYGCPSA-N 297.402 3.961 30 20 CHED C[C@H](CC(=O)OCc1cccc(C#N)c1)c1ccccc1F 726843607 NWFSSILDTAAGBJ-CYBMUJFWSA-N 297.329 3.934 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)[C@H]1CCCOC1 727707533 AIWLDQNKWRFTAY-CABCVRRESA-N 269.429 3.526 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)C=C(C1CC1)C1CC1 729448304 IZRYPSWGLIPGCW-UHFFFAOYSA-N 274.408 3.521 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)OC(C)(C)C 731149610 YBOZAWKPNRNKDA-UHFFFAOYSA-N 265.328 3.749 30 20 CHED CCOc1ccccc1/C=C1/COc2ccc(F)cc2C1=O 731565745 ZXRUBFPGTHNPLY-LCYFTJDESA-N 298.313 3.883 30 20 CHED Cc1noc(C)c1[C@H](C)/N=C\c1cc2ccccc2nc1O 733750274 RRFIRMKSDQWKDZ-OAOMGELKSA-N 295.342 3.725 30 20 CHED Fc1cccc(C=NNc2cc(F)c(F)cc2F)c1 734301747 NIDBPUYNDQGUHV-UHFFFAOYSA-N 268.213 3.689 30 20 CHED C=CCN(C(=O)N[C@@H](c1ncccc1C)C(C)C)C(C)C 734675545 INPASHODYTVSNS-OAHLLOKOSA-N 289.423 3.693 30 20 CHED C=C(C)CNC(=S)N[C@H](CC)Cc1ccc(Cl)cc1 734769039 ZCGUYULYENBBDH-CQSZACIVSA-N 296.867 3.701 30 20 CHED CCc1oc2ccccc2c1C=NO[C@@H](C)c1nc(C)no1 736296276 AWSWOBLZRCTHHV-JTQLQIEISA-N 299.330 3.798 30 20 CHED Cc1nc(C)c(C=NNc2ccc(Cl)cc2)s1 736429541 WYNVCXYLWBUIOK-UHFFFAOYSA-N 265.769 3.859 30 20 CHED C[C@@H](NC(=S)Nc1ccccc1F)c1cccc(C#N)c1 743059207 CNCAXNXBNHCKOK-LLVKDONJSA-N 299.374 3.745 30 20 CHED CC1(C)C(=NNc2ccc(F)cc2F)[C@@H]2CCCO[C@H]21 743417910 PHQBZTWWEAPIPJ-IINYFYTJSA-N 280.318 3.568 30 20 CHED CCCCCC[C@@H](C)NN=Cc1c[nH]c2ncccc12 743450327 IKOHAUHELVAMLJ-CYBMUJFWSA-N 272.396 3.845 30 20 CHED CCOc1ccc(/C=N/[C@H](C)c2cccc(C#N)c2)c(O)c1 743501265 HUKGVFYOSKOAMX-HMHKGCENSA-N 294.354 3.843 30 20 CHED CCOc1ccc(/C=N/[C@H](C)c2ncc(C)s2)c(O)c1 749931750 WAWREXKSVJWRPF-LKBVRNOZSA-N 290.388 3.736 30 20 CHED COc1ccc(NN=C(C)c2ccc(F)c(F)c2)cc1 750923270 WMYBUUPTWROMHR-UHFFFAOYSA-N 276.286 3.810 30 20 CHED CC(=NNc1ccc(F)cc1C)c1cccc(C(=O)O)c1 750946561 UAODRKBCXOERAK-UHFFFAOYSA-N 286.306 3.668 30 20 CHED C=CCNC(=S)NCc1ccc(Oc2ccccc2)cc1 751020628 BSZYKKVSVPHIJQ-UHFFFAOYSA-N 298.411 3.629 30 20 CHED COc1cc(Cl)c(C=NNc2ccccn2)cc1Cl 753919418 VVSROMMFBLVXTR-UHFFFAOYSA-N 296.157 3.843 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@@H](C)c3ccccc32)cn1 754604334 AXHARRCVKHEMFD-CQSZACIVSA-N 290.366 3.607 30 20 CHED CC(C)c1ccc([C@H](C)OC(=O)c2cc(C#N)c[nH]2)cc1 754838661 ZKOLQGNFSFSVSF-LBPRGKRZSA-N 282.343 3.928 30 20 CHED CC(=NO[C@H]1CCCCO1)c1nc2ccccc2s1 755825538 WWFWKEOUGMZUIB-ZDUSSCGKSA-N 276.361 3.564 30 20 CHED O=C(/C=C/c1ccc(Cl)c(F)c1)c1ccc(O)cc1O 757467899 OBEXBROIZQCMJD-QHHAFSJGSA-N 292.693 3.786 30 20 CHED CC(C)c1ncc(C=NOCc2ccccc2)s1 758374731 WSBABXKYNJTSDS-UHFFFAOYSA-N 260.362 3.817 30 20 CHED C=C[C@@H](CC(=O)N[C@@H](C)Cc1ccco1)c1ccccc1 758378353 IDSRMOZCVJUXAD-GJZGRUSLSA-N 283.371 3.687 30 20 CHED C=CCCC(=O)COC(=O)CCc1ccc(C(C)C)cc1 761382723 SYVGVXHQWKYWEX-UHFFFAOYSA-N 288.387 3.821 30 20 CHED N#Cc1c(F)ccc(/C=C/C(=O)c2cccnc2)c1Cl 761476187 RVLSTLASSVIIDE-GQCTYLIASA-N 286.693 3.642 30 20 CHED Cc1ccccc1-c1nc(C(=O)OC2(C#N)CCC2)cs1 762100087 NJTCDRQFBMUAAJ-UHFFFAOYSA-N 298.367 3.722 30 20 CHED CCCCCCCCOCc1nc([C@@]2(C)CCCO2)no1 763317165 BCRHETUITYEEJY-MRXNPFEDSA-N 296.411 3.972 30 20 CHED CCO[C@@H]1CCCC1=NN[C@H](Cc1ccccc1)C(C)C 766477928 MUNIMKZXSULYLH-QZTJIDSGSA-N 288.435 3.788 30 20 CHED C#CCOc1ccc(C(=O)N([C@@H](C)CC)[C@H](C)CC)cc1 767503010 BYOXJTANRZNTFW-GASCZTMLSA-N 287.403 3.738 30 20 CHED CCC/C(C)=C/C(=O)Nc1ccc(C#N)cc1Cl 769732052 YXWVMQWEOFLDRD-JXMROGBWSA-N 262.740 3.897 30 20 CHED C[C@H]1CCC[C@H](C=NNc2ccc(F)c([N+](=O)[O-])c2)C1 769829018 NYMOSFJZYKBION-QWRGUYRKSA-N 279.315 3.958 30 20 CHED CC(=NNc1c(F)cccc1Cl)c1cncs1 769830463 NDSOGAZGJNXDBD-UHFFFAOYSA-N 269.732 3.772 30 20 CHED CCCCCCCC(=O)OCc1cn(C)nc1C(F)F 770347640 XVXYMRVUDUYIMT-UHFFFAOYSA-N 288.338 3.761 30 20 CHED C#CCC(C)(C)C(=O)OCC1CCC(C(F)(F)F)CC1 770416537 DTPWWSZOCFMGTK-UHFFFAOYSA-N 290.325 3.948 30 20 CHED CCCCCCCC(=O)N[C@@H](CO)[C@@H](C)c1ccccc1 771486618 RBRIVHCDTQCXEA-RDJZCZTQSA-N 291.435 3.628 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)cc1 772796378 HOOMAKPQHWZPAQ-JXMROGBWSA-N 294.329 3.659 30 20 CHED Cn1ccc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)n1 773144785 LWADHNOKAKUBBG-KTKRTIGZSA-N 268.360 3.614 30 20 CHED Cc1ccc(F)c(/C=C2/CC(=O)Nc3ccccc3C2=O)c1 774144731 LDRJJXRFCDBZHI-LCYFTJDESA-N 295.313 3.743 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FCJXSILINZVJEH-UXBLZVDNSA-N 274.316 3.854 30 20 CHED CCCCCCCCOC(=O)c1c(C)nn(C)c1C 918494694 ZCSBUADMNPCJTO-UHFFFAOYSA-N 266.385 3.554 30 20 CHED CCOc1ccc(O)c(/C=N/[C@@H](C)Cc2ccsc2)c1 918711902 BHLPNGAZRUTIKD-VAKHEIKFSA-N 289.400 3.903 30 20 CHED C=C(Br)CN(C)c1ccc(C)c(C)c1 919648376 NDLWMPYERQLSHL-UHFFFAOYSA-N 254.171 3.648 30 20 CHED C#Cc1cccc(NC(=O)c2cnc(C(C)(C)C)s2)c1 920220409 PUGVYOQUGMHVOE-UHFFFAOYSA-N 284.384 3.674 30 20 CHED CC(CCc1cccc(C)c1)=NNC(=S)NC(C)(C)C 920363689 GJYCKZFZDYEUHT-UHFFFAOYSA-N 291.464 3.566 30 20 CHED CCC/C=C\C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 920744377 MLJFJCROQQRGNA-DANTVBBOSA-N 270.376 3.824 30 20 CHED COc1cccc(NN=C2CCc3c(F)cccc32)c1 921258708 NJRGTWOLRZXJBM-UHFFFAOYSA-N 270.307 3.597 30 20 CHED CC(C)[C@@H]1C[C@H](C(=O)OCCCCC(C)(C)C#N)CCO1 924304995 DANNXTKPKLQMCR-CABCVRRESA-N 295.423 3.701 30 20 CHED C[C@H](CC(C)(C)C#N)NCCc1ccccc1Cl 924853199 LSNVUSKHWLAZRU-GFCCVEGCSA-N 264.800 3.800 30 20 CHED C[C@H](CC(C)(C)C#N)NCCOC1CCCCCC1 925103811 SFIDPJDOFAWOCY-CQSZACIVSA-N 266.429 3.644 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc(N2CCCC2=O)c1 925731873 VSNJDRUYVRWPFA-ZDUSSCGKSA-N 285.391 3.554 30 20 CHED C=CCC1(CN[C@@H](C)c2cn(C(C)C)nn2)CCCC1 926543116 VLXMNYHWLNYUMB-AWEZNQCLSA-N 276.428 3.646 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1cnccc1C(C)(C)C 926580916 ALSMLZKJQYDQNP-CYBMUJFWSA-N 273.424 3.797 30 20 CHED C=C[C@@H](CC)CC(=O)N(CC)[C@H](CC)c1ccncc1 933345554 ROFVENNYWKRXLB-GOEBONIOSA-N 274.408 3.984 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1ccc(O)cc1OC(C)C 935654502 ASBZEMXBLKYBNA-LBPRGKRZSA-N 277.364 3.720 30 20 CHED CC(C)CSCCCOC(=O)CC#Cc1ccccc1 1116358129 KFBZQNPJALAWKK-UHFFFAOYSA-N 290.428 3.751 30 20 CHED Cc1ccc(CSCCOc2ccccc2C#N)nc1 1116483505 UPFYVVAUXLNCMD-UHFFFAOYSA-N 284.384 3.574 30 20 CHED CCN(C(=O)c1sc2ccccc2c1Cl)[C@H](C)C#N 1118792088 JGBREHXNDHZQHX-SECBINFHSA-N 292.791 3.929 30 20 CHED C=CCC[C@H]1CCCN1C(=O)CCCc1csc(C)n1 1120813935 RCNHSWCHEPGDKL-HNNXBMFYSA-N 292.448 3.731 30 20 CHED Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)c1ccc(C#N)[nH]1 1122717887 OYFQLJNNXHODIF-ABAIWWIYSA-N 280.327 3.600 30 20 CHED C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1csc(C#N)c1 1126755983 JJYYLGBVVNDNLL-GWCFXTLKSA-N 276.405 3.564 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 1129072287 YFBOASRTIQMGIB-JYAVWHMHSA-N 298.386 3.772 30 20 CHED Cc1cc(NCc2ccc(C(C)C)cc2)ncc1C#N 1155946278 VUQZKDZPSUCFOT-UHFFFAOYSA-N 265.360 3.997 30 20 CHED N#CCc1cccc(NCc2cc(O)cc(Cl)c2)c1 1178737343 PWNNSLMXQUAHDC-UHFFFAOYSA-N 272.735 3.724 30 20 CHED C[C@H]1CCC[C@H](CNc2c(C#N)cccc2C#N)C1 1185027494 BVRQDEHLSQALCY-STQMWFEESA-N 253.349 3.668 30 20 CHED CC[C@H](C)C[C@@H](C)Nc1ncc(C#N)cc1Br 1185497352 IGDKAJHNRCTFDK-VHSXEESVSA-N 296.212 3.952 30 20 CHED CC(C)(C)[C@@H]1CCCN(c2ncc(C#N)cc2F)CC1 1306964665 FKZLBMOVTIMBQA-CYBMUJFWSA-N 275.371 3.745 30 20 CHED O=[N+]([O-])c1ccccc1NN=CCCc1ccc(F)cc1 1321292255 WIIUFOFARDOFCV-UHFFFAOYSA-N 287.294 3.764 30 20 CHED C[C@@H]1CC(=NNc2ccn(C)n2)C[C@@H](c2ccccc2)C1 1326241974 OLGIJYYDFNVUNH-ZFWWWQNUSA-N 282.391 3.792 30 20 CHED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)CCCC#N 1327658228 UOVVBQXVWRQXFA-ILXRZTDVSA-N 264.413 3.505 30 20 CHED CC[C@@H](C)CC=NNc1cncc(Br)c1 1330720504 INKOXHZOFKNGEI-SECBINFHSA-N 270.174 3.678 30 20 CHED CC[C@H](NCCCC(F)F)c1ccc(C#N)cc1 1334041746 WPNFIYKWLRJLII-ZDUSSCGKSA-N 252.308 3.644 30 20 CHED C=C(C)CCC(=O)N1CCC[C@H]1Cc1ccccc1C 1335789385 BJKFCNBIHUPYHR-KRWDZBQOSA-N 271.404 3.885 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1ccc(SCC)nc1 1339281239 PGUYNJCSGBCVPV-AWEZNQCLSA-N 290.432 3.764 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)[C@H](C#N)c1cccc(F)n1 1344007211 OKUJGEBWRLBMMB-JHJVBQTASA-N 274.339 3.613 30 20 CHED Cc1ccc(C(=O)O[C@@H](CC#N)c2ccco2)c(C)c1 1347948106 BKXDLWRLQRRYIJ-HNNXBMFYSA-N 269.300 3.708 30 20 CHED Cc1cccc(C(=O)O[C@@H](CC#N)c2ccco2)c1C 1350312456 VTNSVABMCNUWSA-HNNXBMFYSA-N 269.300 3.708 30 20 CHED Cc1ccc(C#N)cc1C(=O)N(CC(C)C)C1CCCC1 1354196515 UQNKGYYRECDXHD-UHFFFAOYSA-N 284.403 3.908 30 20 CHED C=C(C)CCC(=O)N(CCc1ccccc1)C1CC1 1358452894 NETLVILJULIDRE-UHFFFAOYSA-N 257.377 3.576 30 20 CHED C[C@H](CN(C)C(=O)c1ccc(C#N)cc1F)c1ccccc1 1435028386 YCVRKOKDTKWBOD-CYBMUJFWSA-N 296.345 3.573 30 20 CHED CC[C@@H](Nc1cccc(C#N)n1)c1ccc(F)cc1 1458276926 JGIDLTUXDFNFBN-CQSZACIVSA-N 255.296 3.656 30 20 CHED N#Cc1ncccc1SCCc1ccc(Cl)cc1 1459078559 WVJIGZCXJUCHSW-UHFFFAOYSA-N 274.776 3.941 30 20 CHED N#Cc1ncccc1SCc1ccc(OC(F)F)cc1 1473031246 PDPRJIBSQMETMZ-UHFFFAOYSA-N 292.310 3.847 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc(C#N)c(F)cc1F 1477014741 FMSONPKYJVDCPC-VHSXEESVSA-N 295.333 3.783 30 20 CHED C=C(C)CCC(=O)[C@@H](C#N)c1nc(C2CC2)cs1 1515391998 NHPJWHMXJHFFMT-LLVKDONJSA-N 260.362 3.553 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2nc(C3CC3)cs2)c1 1519346343 BHHBZQQRTUODKZ-UHFFFAOYSA-N 296.395 3.669 30 20 CHED N#C[C@@H]1CCC[C@H](OC(=O)Cc2ccc3c(c2)CCCC3)C1 1528490677 RULLWPFEHXKRGP-QAPCUYQASA-N 297.398 3.733 30 20 CHED Cc1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl 1537688869 UFDHMUUIAADLDI-UHFFFAOYSA-N 270.719 3.772 30 20 CHED N#Cc1cc(NC[C@H]2CCCC[C@@H]2c2ccccc2)ncn1 1559190565 VSRJNDLGMGBDAJ-NVXWUHKLSA-N 292.386 3.734 30 20 CHED CCc1nc(C)cc(Sc2ccc(C#N)c(C)c2)n1 1559218982 ZTJDXVUALQUURP-UHFFFAOYSA-N 269.373 3.679 30 20 CHED N#Cc1ccc(OCc2cccc3ncccc23)cc1 1559327475 GUBKWQIKJHTEIB-UHFFFAOYSA-N 260.296 3.685 30 20 CHED CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)O)C1 1589644910 FSWPHEDHIJUBND-HUUCEWRRSA-N 297.439 3.696 30 20 CHED CCC(CC)SCc1cccc(C(=O)O)c1C#N 1605019002 QZIPEWXCMONQKS-UHFFFAOYSA-N 263.362 3.678 30 20 CHED COc1ccc(C#N)cc1N[C@@H]1C[C@@H](C)C[C@@H](C)C1 1621239017 KYNWAHSVCOGNEE-IMRBUKKESA-N 258.365 3.803 30 20 CHED Cc1nc(C#N)cc(N[C@@H](C)c2ccc(F)cc2Cl)n1 1639956561 BRVAFOMYCZMZDD-QMMMGPOBSA-N 290.729 3.622 30 20 CHED C[C@@H](c1ccccc1)[C@H]1CCCN1c1cccc(C#N)n1 1652255823 ZGLHEYOMEDPZDU-WMLDXEAASA-N 277.371 3.726 30 20 CHED C[C@H]1CCN(Cc2cccc(C#N)n2)CC12CCCCC2 1652263829 IZNRQJAPFWXTPY-HNNXBMFYSA-N 283.419 3.746 30 20 CHED Cc1ccc(C)c(N(C)Cc2ccc(F)c(C#N)c2)c1 1652321816 DXQGRPJZRNRDJS-UHFFFAOYSA-N 268.335 3.951 30 20 CHED C=C(CNc1cc(C(F)F)ncn1)c1ccccc1 1655543052 WYEPXXSETBZSHT-UHFFFAOYSA-N 261.275 3.540 30 20 CHED CCc1ccc(CCSc2cccnc2C#N)cc1 1656553943 XSZBZCRGCHTIFB-UHFFFAOYSA-N 268.385 3.850 30 20 CHED N#Cc1c(F)cccc1SCc1ccc2c[nH]nc2c1 1656592903 JKHWSTMOMVDRKR-UHFFFAOYSA-N 283.331 3.866 30 20 CHED Cc1cnc(OC(C)C)c(NCc2ccc(C#N)cc2F)c1 1657422061 UZSVWSBKJNFONF-UHFFFAOYSA-N 299.349 3.800 30 20 CHED Cc1cc(C#N)ccc1CN1CC[C@@H](C)C(C)(C)C1 1658176807 SJIYCWGGVBDUJA-CQSZACIVSA-N 256.393 3.735 30 20 CHED O=C(/C=C\c1csc(C(=O)O)c1)c1ccc(F)c(F)c1 1776125542 LIEKHYOTMHZQNJ-RJRFIUFISA-N 294.278 3.621 30 20 CHED C=CCCCCCNC12C[C@H]3C[C@@H](C1)CC(C(=O)O)(C3)C2 1776733346 ZJBGQQMVLHLMEP-BXXOZEPKSA-N 291.435 3.746 30 20 CHED O=C(/C=C\c1ccc(C(=O)O)s1)c1cc(F)cc(F)c1 1777569628 AOMLXDIXXRVEGD-IWQZZHSRSA-N 294.278 3.621 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)c1cccc2ccccc12 56225099 HSWBKRLBVKMAMF-UHFFFAOYSA-N 286.334 3.988 30 20 CHED CCCCCCCCCCC(=O)NC1=NCCS1 109369944 YBPIEAOAPOFCET-UHFFFAOYSA-N 270.442 3.736 30 20 CHED CCCCCCCS(=O)(=O)c1ccc(F)cc1 113540315 GEOGWYKPAXGUGS-UHFFFAOYSA-N 258.358 3.570 30 20 CHED Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 55779789 GAAVKPKTPKCUGU-SFHVURJKSA-N 290.366 3.844 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H]1c1ccccc1C 116972617 GEONEDLJHCFIDX-HOCLYGCPSA-N 272.392 3.806 30 20 CHED CCCC(C)(C)NCc1ccc(O[C@H](C)C#N)cc1 111387294 LQGFSMXFEHYBPP-CYBMUJFWSA-N 260.381 3.646 30 20 CHED CCS[C@H]1CCC[C@H](NCC(C)(C)CCC#N)C1 176982983 HRWNAGPJTIYJEK-KBPBESRZSA-N 268.470 3.970 30 20 CHED C=CCCCC(=O)N1CC[C@H](CSc2ccccc2)C1 176048974 VYTMJRIFXYHEKD-HNNXBMFYSA-N 289.444 3.984 30 20 CHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(C#N)c1C 179702441 DOUSGPQFDWQLRU-GFCCVEGCSA-N 271.364 3.733 30 20 CHED Cc1cscc1C(=O)N[C@H](C#N)c1ccccc1Cl 176680069 RWTTYFVGIMWREF-CYBMUJFWSA-N 290.775 3.705 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CCC2CCCCC2)C1 303604450 APJPPMIBWKXRHI-PBHICJAKSA-N 276.424 3.936 30 20 CHED CC1(C)CCCC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 466543467 UUGPWMCFLMKZKW-AWEZNQCLSA-N 271.364 3.649 30 20 CHED CCCCSCCC(=O)Nc1cccc(C#N)c1C 178639019 JVCFHNVQCDCHPU-UHFFFAOYSA-N 276.405 3.729 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1 116863725 IWHODRZHQMIWEO-MRVPVSSYSA-N 258.148 3.688 30 20 CHED CC[C@@](C)(NCc1cc(C#N)ccc1F)c1nccs1 173496984 YMHJOJDNYDLLFB-OAHLLOKOSA-N 289.379 3.569 30 20 CHED C=CCOc1ccc(C(=O)N2CCCC(C)(C)C2)cc1 112685513 GVIMTROEJDXMIO-UHFFFAOYSA-N 273.376 3.514 30 20 CHED CC(C)Oc1ccc(NC(=O)CCc2ccco2)cc1C#N 178663114 JIBRFLVLWLJBSJ-UHFFFAOYSA-N 298.342 3.510 30 20 CHED C[C@H](C#N)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 68924998 SXZOUANUXKCRTR-CJNGLKHVSA-N 296.395 3.548 30 20 CHED C[C@@H]1CCCN1c1c(C#N)cnc2c(F)ccc(Cl)c12 172812738 ZFQGJJCNVKKIMB-SECBINFHSA-N 289.741 3.888 30 20 CHED C=CCCCCCN(C)C(=O)Nc1cnn(CCC)c1 174148769 SKTCFTGAXYXZRE-UHFFFAOYSA-N 278.400 3.503 30 20 CHED C[C@]1(C/N=C/c2cc3ccccc3nc2O)CCCS1 121017014 CZRRPGICXFZVNY-FCNRDGCESA-N 286.400 3.645 30 20 CHED CC(C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 66953997 CEUGWCUQJYQTFA-NSHDSACASA-N 277.393 3.611 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cn2)CC[C@H]1c1ccccc1 301422889 CQOBPCJUQQAQLO-RHSMWYFYSA-N 277.371 3.583 30 20 CHED N#Cc1cccc(NCc2cscc2Br)c1 304583669 OMSXYWADOVBSPJ-UHFFFAOYSA-N 293.189 3.994 30 20 CHED C[C@@H](NCC(C)(C)C#N)c1cc(Br)ccc1F 122337720 DXYDOOSVOGIQDH-SECBINFHSA-N 299.187 3.789 30 20 CHED C=CCn1c(SCCCC#N)nnc1-c1ccc(C)cc1 122474794 HNVVTMXRECIBIW-UHFFFAOYSA-N 298.415 3.835 30 20 CHED COc1ccc(/C=C/C(=O)c2sccc2C)cc1O 72614395 AXOQRUVJXNKHCO-HWKANZROSA-N 274.341 3.667 30 20 CHED C=CCSCCN[C@H](C)c1nc2c(s1)CCCC2 180454945 WDPSZOKPDMJPET-LLVKDONJSA-N 282.478 3.592 30 20 CHED CCCN(Cc1ccccc1)C(=O)c1cccc(CC#N)c1 77926269 XYZCSZOUPPADKU-UHFFFAOYSA-N 292.382 3.805 30 20 CHED C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 78973449 ACMADGUEAKTLBR-STQMWFEESA-N 295.342 3.878 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1cn(-c2ccccc2)nc1C 188577990 VNKJUBLENFZMAG-KRWDZBQOSA-N 283.375 3.722 30 20 CHED CC[C@@H](CC#N)NC[C@@H](C)c1cccc(Br)c1 184085494 QSNJBBVNDCGBTD-RISCZKNCSA-N 295.224 3.834 30 20 CHED N#Cc1ccc(CNc2nccc3sccc23)c(F)c1 359055479 MYJLHSGQSXIUOM-UHFFFAOYSA-N 283.331 3.919 30 20 CHED CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1cccs1 127357137 QBIJRNNOZZYTFF-SREVYHEPSA-N 260.362 3.665 30 20 CHED C[C@@H](Nc1nc2ccccc2n1C)c1ccc(C#N)cc1 79044651 PUFVPYGMUDXNOM-GFCCVEGCSA-N 276.343 3.618 30 20 CHED CCC(CC)CN(CCC#N)C(=O)c1ccc(F)cc1C 129380515 AJNZDDWQKPYBFN-UHFFFAOYSA-N 290.382 3.926 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2c2ccccc2)s1 123663603 SFCMHJQZKKKKKI-INIZCTEOSA-N 268.385 3.957 30 20 CHED O=C(/C=C/c1cccc2nccn12)c1c[nH]c2ccccc12 180311824 RECPTPJMHSKNQZ-CMDGGOBGSA-N 287.322 3.712 30 20 CHED N#Cc1cccc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1 185312818 HFYIAEWODMBIJJ-OAHLLOKOSA-N 298.336 3.826 30 20 CHED C=CCN(C(=O)c1cccc(CC#N)c1)c1ccccc1 78818235 KZDLUTMSUFNFQO-UHFFFAOYSA-N 276.339 3.585 30 20 CHED C#CCCCCN[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 180941187 DQKRESADUPKITM-HNNXBMFYSA-N 280.415 3.727 30 20 CHED CC(C)(C)[C@H](C#N)OC(=O)CCCc1c[nH]c2ccccc12 181990455 LXMJWMSTDSIHBJ-INIZCTEOSA-N 298.386 3.972 30 20 CHED N#C[C@H]1CCC[C@H](Nc2ccc(-c3cnco3)cc2)C1 185718201 VLRXPNSGTWHIFW-WFASDCNBSA-N 267.332 3.836 30 20 CHED CN(Cc1cccc(C#N)c1)[C@H]1C[C@H]1c1cccc(F)c1 411128877 DZVVTCFGRSNDFR-ROUUACIJSA-N 280.346 3.685 30 20 CHED C=C[C@@H](CC(=O)Nc1cccc2[nH]cnc12)c1ccccc1 135186395 MXCQMUWOBCPVFH-ZDUSSCGKSA-N 291.354 3.861 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)NCC1CCCC1 79621398 HEMRBOZNFAGNBB-UHFFFAOYSA-N 290.382 3.714 30 20 CHED C=CCc1cc(C)cc(OC)c1OCC[C@@H]1CCOC1 418949987 GFRUCIPYRTZZHH-AWEZNQCLSA-N 276.376 3.538 30 20 CHED C=C(Cl)CSc1nncn1[C@H](C)c1ccccc1 49517479 KMVXOLGOEZGCTD-LLVKDONJSA-N 279.796 3.732 30 20 CHED C[C@@H](CCC(C)(C)C)NC(=O)NCc1ccc(C#N)cc1 77345492 XJDBBMDNUZFIGO-ZDUSSCGKSA-N 287.407 3.572 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@H]2CCOc3c(Cl)cccc32)C1 185794895 KZEBNSZANQZIGX-ZOWXZIJZSA-N 290.794 3.836 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)NCc1cccc(C#N)c1 74435261 FIJMHPXNIWQWQC-AWEZNQCLSA-N 284.403 3.781 30 20 CHED C=CCN(CC=C)C(=O)Cc1cc(Cl)ccc1Cl 130057632 PHCRAXRJCBLRHW-UHFFFAOYSA-N 284.186 3.737 30 20 CHED CC[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)[C@@H]1CC1(C)C 416066694 BPXIRAQOMJWTOV-KCXAZCMYSA-N 284.403 3.603 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2cccc3cccnc23)CCC1=O 328928057 XOORTZZKINYXEP-AAEUAGOBSA-N 282.343 3.828 30 20 CHED C=CCN(CC=C)C(=O)[C@H](C)Oc1cc(C)ccc1Cl 410180802 LWQOXRLHVKAKGP-ZDUSSCGKSA-N 293.794 3.616 30 20 CHED C=CCCC[C@H](C)NC(=O)C1C[C@H](C)C[C@@H](C)C1 504571141 RJPAWHGUUUUDGF-MCIONIFRSA-N 251.414 3.920 30 20 CHED Cc1nnccc1N=C(O)[C@H]1CC[C@H](C(C)C)CC1 329664606 JZRIDMKGISCQHN-JOCQHMNTSA-N 261.369 3.835 30 20 CHED N#CCC[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 192504555 XWWNETBNTQEOQR-NSHDSACASA-N 288.332 3.508 30 20 CHED CCCC[C@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F 503296647 LBFIHWRIGFKABG-JTQLQIEISA-N 296.317 3.924 30 20 CHED OC(CCC1CC1)=Nc1ncn(C2CCCCC2)n1 329552844 JZUAHSSUGCZBAF-UHFFFAOYSA-N 262.357 3.562 30 20 CHED N#C[C@H]1CCC[C@H](N[C@@H]2CCCc3sccc32)C1 193295634 HIZNBTUJCKCVQQ-SGMGOOAPSA-N 260.406 3.797 30 20 CHED Clc1ccc(C#CCN2CC[C@H]3CCC[C@H]32)cc1 426481499 ALLHCARHNUJYKP-GDBMZVCRSA-N 259.780 3.566 30 20 CHED CC[C@H](CC1CCCCC1)C(=O)N(CC)CCC#N 133473930 JHFCIAQQENJMFO-OAHLLOKOSA-N 264.413 3.745 30 20 CHED COc1ccsc1[C@@H](C)NCc1ccc(C#N)s1 421879202 MYOJEPODARLTNL-SECBINFHSA-N 278.402 3.541 30 20 CHED C[C@H](c1ccc(Cl)cc1Cl)N(C)CCC#N 44894904 QQNCEOOETPNRJB-SECBINFHSA-N 257.164 3.900 30 20 CHED CC(=O)Nc1cc(F)c(F)cc1NCCCC(C)(C)C#N 133729908 MMZYFVLIUWGAJA-UHFFFAOYSA-N 295.333 3.665 30 20 CHED O/C(=N/[C@H]1CC12CCCCC2)c1c[nH]c2ncccc12 329093966 AVKVRUQYKYQYNK-ZDUSSCGKSA-N 269.348 3.590 30 20 CHED CCC[C@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1 48474421 QQTGKMJFSAUPPR-VIFPVBQESA-N 265.744 3.522 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](C)COCc1ccccc1 190973576 UTCYYEIJZQTNOP-MAUKXSAKSA-N 289.419 3.558 30 20 CHED Cc1nc(N(C)[C@@H](C)c2ccccn2)c(Cl)cc1C#N 292389597 DQHMXODJAYXOQM-NSHDSACASA-N 286.766 3.508 30 20 CHED COc1ccc(-c2noc(-c3ccc(C#N)cc3)n2)cc1C 320271876 LJUSTMINZRIFJK-UHFFFAOYSA-N 291.310 3.592 30 20 CHED Cc1cccc2c1OC/C(=C\c1ccccc1F)C2=O 48985537 JXEFSLPBXABUMH-UKTHLTGXSA-N 268.287 3.793 30 20 CHED COc1cc(C#N)ccc1OCc1cc(C)sc1C 194317715 HYBJFWOXIHFDCU-UHFFFAOYSA-N 273.357 3.824 30 20 CHED COc1ccc(Br)cc1NCCC(C)(C)C#N 87591787 QEGXPSRPLMWPIP-UHFFFAOYSA-N 297.196 3.809 30 20 CHED CCOc1c(Cl)cccc1CN[C@@H]1CC[C@H](C#N)C1 424202989 UDKVIRRKHMJTDA-WCQYABFASA-N 278.783 3.521 30 20 CHED N#CCc1ccccc1NC(=O)c1cccc(Cl)c1 334354889 JZQBZPNVGGEUQT-UHFFFAOYSA-N 270.719 3.658 30 20 CHED Cc1cc(C#N)cc(NC(=O)c2ncsc2C(C)C)c1 335082501 FDPJOIHCDWXRBP-UHFFFAOYSA-N 285.372 3.699 30 20 CHED COc1ccc([C@H](NCC(C)(C)CC#N)C2CC2)c(F)c1 421863245 XDIXZZMTJALGTA-MRXNPFEDSA-N 290.382 3.815 30 20 CHED C=C[C@H]1CCCCN1C(=O)CCC(=O)c1cc(C)ccc1C 428039868 GRYDUDSDEMOCET-INIZCTEOSA-N 299.414 3.833 30 20 CHED CCC1(CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)CCC1 425497254 WLERAKVTXQYYET-CQSZACIVSA-N 299.418 3.841 30 20 CHED C=C(C)[C@H](NCC[C@H]1CCCO1)c1ccc(F)c(F)c1 190009699 QJBMQINNSIRDAU-CJNGLKHVSA-N 281.346 3.741 30 20 CHED C[C@@H](CCc1ccccc1)NCc1ccc(OCC#N)cc1 194883643 YDDFYUYGPKWKFB-INIZCTEOSA-N 294.398 3.700 30 20 CHED C#CCCCCN[C@@H](C)c1cnc2ccsc2c1 90398156 IWXOYBUDVZZYIL-LBPRGKRZSA-N 258.390 3.750 30 20 CHED Cc1nc(C)c(C#N)c(S[C@@H](C)c2ccccc2F)n1 339588971 NKGFLBRAZBXZFK-JTQLQIEISA-N 287.363 3.958 30 20 CHED Cc1cnc(NC(=O)c2ccc(C(C)(C)C#N)cc2)s1 334537990 KCCFFDMMVYSOFZ-UHFFFAOYSA-N 285.372 3.505 30 20 CHED Cc1cc(C)c(C#N)c(S[C@@H](C)c2ncc(C)o2)n1 336142115 OBWCNSJTEIYQFY-NSHDSACASA-N 273.361 3.720 30 20 CHED C[C@H]1C[C@H](C(=O)N2CCc3c(C#N)cccc32)CC[C@H]1C 421655550 HJASDSWRJRNAIY-HZSPNIEDSA-N 282.387 3.520 30 20 CHED C=CCC[C@H](NC(=O)N(C)CC(C)C)c1ccccc1 429852593 OZBFGQQSIIZBCP-INIZCTEOSA-N 274.408 3.991 30 20 CHED Cc1ccncc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 334523235 PNPFQXKLHPCYLQ-AUUYWEPGSA-N 291.398 3.990 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1nccs1 90665219 GVPFTCHOEOMFSW-GXTWGEPZSA-N 271.389 3.839 30 20 CHED C[C@H](Cc1ccccc1Cl)NCc1cc(C#N)cs1 93492364 FIQGFWHFUCAEIW-LLVKDONJSA-N 290.819 3.994 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 436094282 RVTLCOKKCWGWOX-KGLIPLIRSA-N 288.391 3.794 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 434378878 HESUGONUGGLLEW-VBNZEHGJSA-N 290.382 3.726 30 20 CHED CC(C)[C@@H](C)N(C)Cc1ccc(C#N)cc1OC(F)F 437410315 LMBPOQYZUJUJFQ-LLVKDONJSA-N 282.334 3.636 30 20 CHED CCN(C[C@@H](C)C#N)[C@H](C)c1ccc(Br)cc1 245934149 ZFBUUCOHSAFKPT-NWDGAFQWSA-N 295.224 3.992 30 20 CHED C=CCSCCNC(=O)[C@H](C)Sc1ccc(C)cc1 345073477 CKCQABGPZRTOTH-ZDUSSCGKSA-N 295.473 3.511 30 20 CHED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1=CCCCC1 527107223 PLXZOTRTJVGZKW-ROUUACIJSA-N 294.398 3.785 30 20 CHED C=CCOc1ccc(CNC(=O)Nc2ccsc2)cc1 349891012 FAOCRPXZHFQAED-UHFFFAOYSA-N 288.372 3.635 30 20 CHED N#Cc1ccccc1N1CCCN(CCC2CCCC2)CC1 525622806 FZMCWLLZNOIRBQ-UHFFFAOYSA-N 297.446 3.651 30 20 CHED C[C@@H](CCC#N)CNCCSCc1ccccc1F 602511133 SQVXGUQRAXUYRL-ZDUSSCGKSA-N 280.412 3.588 30 20 CHED Cc1[nH]c2ccc(C(=O)N(CCC#N)CC3CC3)cc2c1C 349433008 NOAIEQFPVXAXAG-UHFFFAOYSA-N 295.386 3.551 30 20 CHED C/C(=C/c1ccccc1)CN(C)C[C@@H](C)CCC#N 602632010 BLHYNDVHJMKRPE-JORMNFRLSA-N 256.393 3.962 30 20 CHED C=CCN(Cc1ccccc1)Cc1nc2cccnc2s1 341584176 LTJQAWURXIRPJO-UHFFFAOYSA-N 295.411 3.880 30 20 CHED C=CCc1cc(/C=C\c2ccncc2C#N)cc(OC)c1O 436575562 IXZSHJVUFNWRAT-WAYWQWQTSA-N 292.338 3.566 30 20 CHED C[C@H](CCC#N)CN1CCC(c2ccccc2F)CC1 602478955 VVNQIZWKOSWBDQ-CQSZACIVSA-N 274.383 3.945 30 20 CHED CSc1ccc(C(=O)/C=C\c2cncs2)cc1F 255917592 BUGBBBCJPWRBQA-ARJAWSKDSA-N 279.361 3.900 30 20 CHED C=C(C)C[C@@H](C)C(=O)N(C)Cc1ccc(F)c(C)c1 436065571 MAARFPARFJNWJD-CYBMUJFWSA-N 263.356 3.695 30 20 CHED C=CCCCSCC(=O)Nc1cccc(Cl)c1 522756657 BHKMASZXHOIEKO-UHFFFAOYSA-N 269.797 3.978 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccn2)cc1 604907493 RQSYBJWXQSQHAE-CYBMUJFWSA-N 297.358 3.960 30 20 CHED C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(C)cc1C 522632839 VAFFUOJURFUIRR-HUUCEWRRSA-N 274.408 3.970 30 20 CHED C=CCC[C@@H](NCC(C)(C)N1CCCCC1)C1CC1 439096110 VRJYPHYLBAZXFW-MRXNPFEDSA-N 264.457 3.585 30 20 CHED CN(Cc1cccc(O)c1)c1c(Cl)cccc1C#N 526047981 HGEHIWSDHSFVOR-UHFFFAOYSA-N 272.735 3.554 30 20 CHED C=CC[C@H](C)NC(=O)NCC(C)(C)c1ccc(Cl)cc1 523900930 GVDHOPLEOXNXLX-LBPRGKRZSA-N 294.826 3.881 30 20 CHED C=CCCC(=O)N(C)C1CCC(C(F)(F)F)CC1 346515410 UFBBBFLZJQIURJ-UHFFFAOYSA-N 263.303 3.532 30 20 CHED C=CCOCCCN[C@H](CCC)c1ccc(F)cc1F 348031704 KTRXDQYMQMMRPV-MRXNPFEDSA-N 283.362 3.988 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@H]1Cc2c(Cl)cccc21 529200955 VNJYORUFODQODY-RISCZKNCSA-N 275.779 3.547 30 20 CHED C[C@H](CCC#N)CNCc1ccccc1OCC1CC1 602554090 MTCSJXQEQICDOA-CQSZACIVSA-N 272.392 3.505 30 20 CHED C[C@]1(C/N=C\c2c(O)ccc3ccccc23)CCCO1 255499255 ZBMULVRKLURAQS-LVSMMTLPSA-N 269.344 3.533 30 20 CHED O=C(/C=C\c1ccccc1F)c1ccc(O)c(F)c1 255593685 BYGNPHBTDRJVQX-ALCCZGGFSA-N 260.239 3.567 30 20 CHED Cc1cn2c(/C=C\C(=O)c3ccccc3O)c(C)nc2s1 254976436 XYVKREIIILBNDG-FPLPWBNLSA-N 298.367 3.614 30 20 CHED Cc1ccc(C(=O)NCCCCC#N)c(Cl)c1Cl 448916374 XSWXIEJYDGXCJT-UHFFFAOYSA-N 285.174 3.726 30 20 CHED Cc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)ccc1F 255717977 IZNXZTQRBOLEMN-ALCCZGGFSA-N 272.323 3.808 30 20 CHED N#CC[C@@H](CC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1 356463039 ZJADDZIIBVXNEN-ZWKOTPCHSA-N 296.414 3.723 30 20 CHED N#Cc1csc(/C=C2\CCOc3ccc(F)cc3C2=O)c1 255224813 LIKCHFRLPFCHCV-IZZDOVSWSA-N 299.326 3.808 30 20 CHED C=C(C)CCN1CCC[C@H]1Cn1c(C)nc2ccccc21 351757890 ORFZYTXUADULAG-INIZCTEOSA-N 283.419 3.775 30 20 CHED C[C@@H](CCC#N)CNc1cccc(OCCCC#N)c1 602485522 UQZKFHPBNKLAJH-AWEZNQCLSA-N 271.364 3.721 30 20 CHED CC1(CNC(=O)NCc2ccc(C#N)cc2)CCCCCC1 539574765 BEHXOSYNEVHCAC-UHFFFAOYSA-N 299.418 3.718 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccncc1CC 358705352 GWJGSHPKQXWULQ-ZDUSSCGKSA-N 272.392 3.590 30 20 CHED C=CCCCN1C[C@H](c2ccccc2C)OC[C@@H]1C 441449728 OKSDCROYILQYKD-DOTOQJQBSA-N 259.393 3.723 30 20 CHED Cc1cc(CN[C@H]2CC[C@@H](C#N)C2)c2[nH]c(C)c(C)c2c1 442788356 ZUFICBARCMSUAE-ZBFHGGJFSA-N 281.403 3.875 30 20 CHED C[C@@H](CCC#N)CNC[C@H](c1ccccc1)C1CC1 602668102 BOMLFVNXDSRQKL-WMLDXEAASA-N 256.393 3.710 30 20 CHED C=CCOc1cccnc1-c1nc(-c2cc(C)oc2C)no1 351068339 LMYOIHFAPSXMDT-UHFFFAOYSA-N 297.314 3.573 30 20 CHED C#C[C@H](CCC)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 700567079 FWOLKEPUQLEZBE-WCQYABFASA-N 295.835 3.739 30 20 CHED N#Cc1ccc(Nc2nc(-c3cscn3)cs2)cc1 352207180 UVHYBKKPKZZSAL-UHFFFAOYSA-N 284.369 3.882 30 20 CHED C=C(C)COc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442888149 FFQMMWMFENSPHO-DZGCQCFKSA-N 256.349 3.746 30 20 CHED C=C(C)CN(C)Cc1nc(-c2ccccc2)cs1 353173003 LWKDAGROVOTNLA-UHFFFAOYSA-N 258.390 3.818 30 20 CHED C[C@@H](CCN(CC#N)C1CCCC1)OCc1ccccc1 354904195 AVCABJSXTZKULU-INIZCTEOSA-N 286.419 3.750 30 20 CHED C=CCCC1(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)CC1 355113879 PFJVBPOSFPXHFN-WBVHZDCISA-N 299.414 3.721 30 20 CHED C=C(CC)CN(Cc1nc(O)c2ccccc2n1)[C@H](C)CC 539119343 IVVGMLGOOJHFEM-CQSZACIVSA-N 299.418 3.902 30 20 CHED N#C[C@H]1CC[C@@H](Nc2cccc(C(F)(F)F)c2)C1 442860482 BPWBPVOKMPXCCJ-JOYOIKCWSA-N 254.255 3.810 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)C[C@H](C)c1c[nH]c2ccccc12 618683235 MIJJESPBWLCEPO-KBPBESRZSA-N 297.402 3.716 30 20 CHED C=CCCC(=O)N1CCC(Cc2ccccc2F)CC1 264681425 CTJVMUKMCSXWJI-UHFFFAOYSA-N 275.367 3.573 30 20 CHED C=CCC[C@@H](O)CN[C@@H](c1ccccc1)C1CCCC1 533064584 MSVBRBNSJAKQSA-MSOLQXFVSA-N 273.420 3.835 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccnn2CCC)CCCC1(C)C 614055241 KLECAKCBMAHGIG-HNNXBMFYSA-N 289.423 3.500 30 20 CHED COc1ccc(C#N)cc1NC(=O)[C@H](C)c1cccc(C)c1 610042361 JKTZSRFMSFITMI-CYBMUJFWSA-N 294.354 3.618 30 20 CHED C[C@@H](C#N)CNCc1ccc(OCc2cccc(F)c2)cc1 612584972 ADJXUGKYLUUARO-AWEZNQCLSA-N 298.361 3.654 30 20 CHED C[C@@H](CC#N)N(C)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 266945116 QPIOEZASJYZKCX-VHSXEESVSA-N 299.201 3.857 30 20 CHED C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCc2cc(F)ccc21 538291876 WVALRNHGVSAKDA-MLGOLLRUSA-N 290.382 3.857 30 20 CHED C[C@@H](NC(=O)c1ccccc1Cl)c1cccc(C#N)c1 610363001 WBRHFRHRIWMZNM-LLVKDONJSA-N 284.746 3.703 30 20 CHED C[C@@H](N=c1cc[nH]c2ccccc12)c1cccc(C#N)c1 610340470 ZTSSRKQTIFPYDB-CYBMUJFWSA-N 273.339 3.701 30 20 CHED Cc1c[nH]cc1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452654961 GMNNGQMCKQXYCC-UHFFFAOYSA-N 297.358 3.624 30 20 CHED C=CCC1(CNC(=O)c2cccnc2C2CC2)CCCC1 456489388 UEDJHHPZWNMCQC-UHFFFAOYSA-N 284.403 3.825 30 20 CHED C=CCCc1noc(/C=C(\C)Cc2ccccc2OC)n1 453246424 JGWYZRUTSJMEMG-OUKQBFOZSA-N 284.359 3.843 30 20 CHED CC[C@H](C)CCCCC(=O)N[C@@](C)(C#N)C(C)C 612006034 CUIYQFOBZYBQIL-ZFWWWQNUSA-N 252.402 3.647 30 20 CHED C=C(C)[C@@H](CC(=O)N(Cc1cccs1)C1CC1)OCC 270014200 GQKLGECRFWLXRH-OAHLLOKOSA-N 293.432 3.610 30 20 CHED C=CCC1(CNC(=O)NCC2CCSCC2)CCCC1 455471226 CTKRWQJBTAYYSN-UHFFFAOYSA-N 296.480 3.565 30 20 CHED Cc1[nH]c2ccc(C(=O)N3CCC[C@](C)(C#N)C3)cc2c1C 612236212 JYDGKJNGTAFXNZ-GOSISDBHSA-N 295.386 3.551 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(C(F)(F)F)cc1 452774217 DNFQCEPFOGQBMF-UHFFFAOYSA-N 271.282 3.647 30 20 CHED C=CCCCN[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 541688352 QYUHIRAVWBIKSB-LBPRGKRZSA-N 289.354 3.801 30 20 CHED C[C@@H](NC(=O)c1csc(Cl)c1)c1cccc(C#N)c1 615567743 AAFMIIDDGCKNOH-SECBINFHSA-N 290.775 3.764 30 20 CHED CCc1ncnc(N[C@H](CCC#N)c2ccccc2)c1F 271112295 QATSTDYXIYQFKX-CQSZACIVSA-N 284.338 3.635 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc(C(=O)C(C)C)cc1 455844262 LLEMCCGQGWONFC-UHFFFAOYSA-N 286.375 3.731 30 20 CHED CC[C@H](NC[C@H]1CCCN(C(C)C)C1)c1ccc(C#N)cc1 278833110 UFUJGPUGRXJIHX-MJGOQNOKSA-N 299.462 3.719 30 20 CHED C=CCN(C(=O)CCCc1ccc(OC)cc1)C(C)(C)C 622943683 MKKXCBIQOHWXCH-UHFFFAOYSA-N 289.419 3.831 30 20 CHED C=CCN(C(=O)CSc1ccccc1)C(C)(C)C 622943274 VSXQSJUDIXXCDN-UHFFFAOYSA-N 263.406 3.592 30 20 CHED C=CCCc1nc(-c2ccc(Br)c(C)c2)no1 546941105 UXWMDQAZQLSXTI-UHFFFAOYSA-N 293.164 3.926 30 20 CHED N#CCCCC[S@@](=O)Cc1cccc(Cl)c1Cl 278140162 YCDQYHLSOCHPPY-QGZVFWFLSA-N 290.215 3.936 30 20 CHED Cc1ccnc(N2CCC[C@H](CC(C)C)C2)c1C#N 544063267 NGUIZQABGTVXPR-CQSZACIVSA-N 257.381 3.524 30 20 CHED CC[C@H](Nc1cccc(CCO)c1)c1ccc(C#N)cc1 453403083 MWUBMENMGZDCDK-SFHVURJKSA-N 280.371 3.656 30 20 CHED C[C@@H]1CCC[C@@H](CNC(=O)Nc2cccc(CC#N)c2)C1 455924601 WGSZKEUMPMSMJD-UKRRQHHQSA-N 285.391 3.700 30 20 CHED Cc1cccc2nc(CNc3ccc(C#N)cc3Cl)cn12 362878014 VHWMKRWCJQVMJB-UHFFFAOYSA-N 296.761 3.780 30 20 CHED Cc1c(C#N)cccc1C(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C 456352812 VGIWQPNATRUTOG-DLBZAZTESA-N 284.403 3.619 30 20 CHED Cc1cc(CN(CC#N)C2CC2)ccc1Oc1cccnc1 271131150 KEXRGAHHIJDHFY-UHFFFAOYSA-N 293.370 3.670 30 20 CHED CC[C@H](Cc1ccccc1)NC(=O)c1ccc(CC#N)cc1 270325685 VWAADKSDTIZEOS-GOSISDBHSA-N 292.382 3.504 30 20 CHED CCN(Cc1ccc2ccccc2c1)C(=O)NC[C@H](C)C#N 543805042 AIMPTSHCOVNEBY-CQSZACIVSA-N 295.386 3.531 30 20 CHED C=CCCC(C)(C)NCc1cc(C)c(Br)cn1 623575090 JQDKOVWBMDNZMB-UHFFFAOYSA-N 297.240 3.987 30 20 CHED CC1(C)C[C@H](NCCCCC#N)c2cc([N+](=O)[O-])ccc21 279038119 JCDOCKYGOSACCU-HNNXBMFYSA-N 287.363 3.601 30 20 CHED CC[C@H](N[C@H](C)Cc1c(C)noc1C)c1ccc(C#N)cc1 278835115 ULNJWQMSMGKRLX-XIKOKIGWSA-N 297.402 3.835 30 20 CHED CC#CCCSCc1cccc(C(=O)NCC(C)C)c1 462373463 OUAYUHCSINDZRU-UHFFFAOYSA-N 289.444 3.719 30 20 CHED C[C@@H](NCCC[C@H]1CCCCO1)c1ccc(C#N)c(F)c1 274070169 UWAHIJBBAQBPLB-CZUORRHYSA-N 290.382 3.697 30 20 CHED Cc1ccoc1CN(C)[C@@H](C)c1ccc(C#N)cc1 271048996 NQEYRTAHSHXJNU-ZDUSSCGKSA-N 254.333 3.653 30 20 CHED C=CC[C@H](C(=O)NCCCC(F)(F)F)c1ccccc1 274996796 CGVFPHKMWAOLGM-ZDUSSCGKSA-N 285.309 3.805 30 20 CHED C=CC[C@@H](CC)NC(=O)NC(C)(C)c1cccc(F)c1 466387862 VSXHIWPIEACUOR-CQSZACIVSA-N 278.371 3.715 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC[C@@H](C)C2(CCC2)C1 466328037 QCLAASNYDGIOAL-ZIAGYGMSSA-N 264.413 3.563 30 20 CHED CSc1cccc(F)c1CN[C@@H]1CCC[C@H](C#N)C1 287551325 PSWQMNWPOWVWNF-NWDGAFQWSA-N 278.396 3.720 30 20 CHED C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)C(C)(C)C 622944241 KRRWVKQQYDPRRK-KGLIPLIRSA-N 293.357 3.881 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 467816961 YKERDNLTRFHPHF-UHDSXZAQSA-N 273.420 3.696 30 20 CHED C=CC[C@@H]1N(C(=O)c2ccnc(C)c2)CCCC1(C)C 280032041 FNAXDLWGWRLVBD-HNNXBMFYSA-N 272.392 3.597 30 20 CHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)c1ccccc1 464517549 DORRKQICVARFRV-CVEARBPZSA-N 257.377 3.747 30 20 CHED CCC(CC)(CC)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 465659518 NIRAIBMTWQJYJB-ZDUSSCGKSA-N 287.407 3.887 30 20 CHED C=CCCc1noc(Cc2coc3cc(C)ccc23)n1 556450398 HZNRTFZYLZMILW-UHFFFAOYSA-N 268.316 3.834 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1c1ccsc1 281386554 OTWOJOWNEGUDDN-KGLIPLIRSA-N 278.421 3.949 30 20 CHED C=CC[C@H](CC)NC(=O)c1cnn(CCC(C)C)c1CC 466533870 KQVZVBOULAFCFJ-AWEZNQCLSA-N 291.439 3.576 30 20 CHED C=CC(C)(C)C(=O)Nc1cccc(CC(F)(F)F)c1 295101143 XHJROOISUXKWFE-UHFFFAOYSA-N 271.282 3.942 30 20 CHED N#Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)n1 809953494 JXGQVAVCWKZAIK-UHFFFAOYSA-N 299.333 3.873 30 20 CHED N#CCCCC(=O)OCc1nc(-c2ccccc2)cs1 291321809 SQUJRRCOMRPKFK-UHFFFAOYSA-N 286.356 3.547 30 20 CHED C=CCOCCCN(C)[C@H](C)c1cc(C)ccc1C 470724570 XCXAIXAOHJCBRA-MRXNPFEDSA-N 261.409 3.889 30 20 CHED C=CCCC[C@@H](C)NC(=O)[C@H]1COc2cc(C)c(C)cc21 472393546 BODDLHAXBDBRLB-ZBFHGGJFSA-N 287.403 3.640 30 20 CHED Cc1ccc(CCC(=O)N[C@@H](C#N)C2CCCCC2)s1 291702207 KOZFJWSCNSFBON-HNNXBMFYSA-N 290.432 3.578 30 20 CHED Cc1ccccc1[C@@H](NC[C@H](C#N)CCC#N)C(C)C 564853743 GCRSEXIELYJJDU-RDJZCZTQSA-N 269.392 3.725 30 20 CHED Cc1nsc(N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1C#N 569637675 UQDMZCFYSAIZDH-WFASDCNBSA-N 297.427 3.953 30 20 CHED C=CCC(C)(C)CNC(=O)C[C@H](C)C(=O)c1ccccc1 644961220 IVJWRHKVIQTJEA-AWEZNQCLSA-N 287.403 3.614 30 20 CHED C[C@@H](CC(C)(C)C)C(=O)N[C@@H](C#N)c1ccccc1F 476229389 BFTRNZHPHMEFKB-FZMZJTMJSA-N 276.355 3.579 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=C1CCC[C@H]1CCF 807990916 GAZVUPHCHFMQPV-NSHDSACASA-N 279.315 3.831 30 20 CHED N#Cc1ccccc1COC(=O)Cc1ccc(Cl)s1 801482423 VBIWEOZGPWTTMT-UHFFFAOYSA-N 291.759 3.559 30 20 CHED CCC(C)(C)OCc1ccccc1NCCO[C@H](C)C#N 802743037 CKKXQVQKTRMSBI-CQSZACIVSA-N 290.407 3.732 30 20 CHED C=CCN(Cc1cccs1)C(=O)c1cc(C)cc(C)n1 800803740 UVEZXEYINSJJJM-UHFFFAOYSA-N 286.400 3.588 30 20 CHED C=C(C)C(C)(C)C(=O)NCCCCc1ccccc1 644557422 YGOYWMYQVKDRII-UHFFFAOYSA-N 259.393 3.728 30 20 CHED C/C(=C\c1ccccc1OC(F)F)CN(C)C[C@@H](C)C#N 290386143 IZLLGZDHRDVVKG-RPHSKFLZSA-N 294.345 3.783 30 20 CHED C=CC[C@H](C)[C@H](C)Nc1cccc(NC(=O)N(C)C)c1 295107610 VRTUEUVREUDDIU-STQMWFEESA-N 275.396 3.793 30 20 CHED C[C@@H]1/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 809157847 WGLPBKQNADWKRF-OKHBPPCESA-N 279.295 3.978 30 20 CHED COc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)C(C)C)cc1 471583364 YPLMSTDGGBSVKK-JLJPHGGASA-N 272.392 3.674 30 20 CHED C#CCCc1noc(-c2c(-c3ccccc3C)noc2C)n1 809397231 ZHJZMDVXPZYROI-UHFFFAOYSA-N 293.326 3.574 30 20 CHED C[C@@H]1CCC[C@H]1CC(=O)N[C@](C)(C#N)C1CCCCC1 569406662 WRFBAARLAPEMPC-JKIFEVAISA-N 276.424 3.791 30 20 CHED Cc1csc(NC(=O)N2CCC[C@H](C(C)C)C2)c1C#N 565165910 YLONKOZVKVXFQP-LBPRGKRZSA-N 291.420 3.828 30 20 CHED C=CCCCCCCCNC(=O)c1c[nH]nc1C1CC1 811589798 GTTRBGQCDDKWQD-UHFFFAOYSA-N 275.396 3.544 30 20 CHED C[C@@H]1CC[C@@H](NCC#Cc2ccc(F)cc2)[C@H](C)C1 481167693 LRUDLLSOBDKHDA-CKEIUWERSA-N 259.368 3.592 30 20 CHED Cc1ccc(NC(=S)NN=Cc2ccc(Cl)o2)cc1 814712893 RFCSZJRQJLBXQN-UHFFFAOYSA-N 293.779 3.562 30 20 CHED Cl/C=C\CON=Cc1ccc(Cl)c2cccnc12 811669458 FCBFEWWIWWUUMO-NIXSMLNXSA-N 281.142 3.991 30 20 CHED C=CCCCCCN1CCc2c(ncn2-c2ccccc2)C1 488301211 SRKUJZSFWOTGJN-UHFFFAOYSA-N 295.430 3.977 30 20 CHED C=CCOCCSc1ncc(C(C)(C)C)s1 814753247 RNXVJMJKQWHCEU-UHFFFAOYSA-N 257.424 3.735 30 20 CHED C#CCCOc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1 811512325 LYQSPQNSAGSFDL-CQSZACIVSA-N 293.357 3.566 30 20 CHED Cc1ccccc1[C@H]1CCN(Cc2ccc(F)cc2C#N)C1 489606504 RLAYFNVOSSXXJB-INIZCTEOSA-N 294.373 3.995 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNc1nccnc1C1CCC1 814932299 VRDFPQFXLPIHTH-CYBMUJFWSA-N 297.406 3.862 30 20 CHED C=CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)C(C)C 812824321 XJYWJDRNHFLKFU-AWEZNQCLSA-N 287.325 3.635 30 20 CHED N#Cc1c(F)cccc1COc1ccc(Cl)cc1 488244826 DPTVFMLIYQGJCH-UHFFFAOYSA-N 261.683 3.930 30 20 CHED N#CCCOCCNC1(c2ccc(Cl)c(Cl)c2)CC1 815065811 ONZBWVCCWOYLCE-UHFFFAOYSA-N 299.201 3.502 30 20 CHED Cc1cccnc1C(C)(C)CNc1ccc(C#N)cc1F 571012968 FKMXOJBRTHSSFM-UHFFFAOYSA-N 283.350 3.791 30 20 CHED C=CCCCCCNc1ccc(Cl)c(C(N)=O)c1 579193089 JJZGUUHZWFOKEK-UHFFFAOYSA-N 266.772 3.597 30 20 CHED CCN(C(=O)Nc1ccc(C#N)cc1)c1ccc(OC)cc1 571132778 PLHXWSVJNDZOAT-UHFFFAOYSA-N 295.342 3.625 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 573893407 FWRMVUMCCAXGKU-QWHCGFSZSA-N 290.363 3.559 30 20 CHED Cc1cc(C(=O)/C=C/c2cc(F)ccc2F)ccc1O 728231996 PTQMNYVURHXWIQ-FARCUNLSSA-N 274.266 3.875 30 20 CHED CCCCCOc1cc(C)ccc1CNCCC#N 579581994 DVHMECUDZVKYGJ-UHFFFAOYSA-N 260.381 3.567 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(C)n([C@H](C)CC)n1 480818636 UQFORKYPNDCCAH-QWHCGFSZSA-N 277.412 3.637 30 20 CHED C=C(CC)CNC(=O)N(C)[C@@H](C)CSc1ccccc1 651144175 ZLXILKAGHPKLOK-AWEZNQCLSA-N 292.448 3.775 30 20 CHED Cc1ccsc1C=NNc1cccc([N+](=O)[O-])c1C 727972849 HXYIVJRYPJVREV-UHFFFAOYSA-N 275.333 3.719 30 20 CHED Cc1ccc(C(C)(C)C(=O)OCc2ccccc2C#N)cc1 728668804 PATNSJLLOJRYAV-UHFFFAOYSA-N 293.366 3.888 30 20 CHED N#Cc1ccccc1Oc1nc2ccc([N+](=O)[O-])cc2s1 729629987 VLBIIWRLJKEFIQ-UHFFFAOYSA-N 297.295 3.868 30 20 CHED N#Cc1cccc(Cl)c1NC[C@@H]1COc2ccccc21 579397877 KWCKPENZLMZHPS-GFCCVEGCSA-N 284.746 3.800 30 20 CHED C=CCSCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 492836480 NXEVWAJGSKUSQZ-AWEZNQCLSA-N 291.460 3.982 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)Cc1csc(Cl)n1 823619189 ZFWAGOANXYSCRG-JTQLQIEISA-N 291.807 3.861 30 20 CHED C=C(C)C[C@@H](C)C(=O)N(C)Cc1cccc2[nH]ccc12 495104113 PCXPJIKDUXIDFA-CYBMUJFWSA-N 270.376 3.729 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(C(C)C)c1 663326057 GTVRYJFPQSJCAT-ROUUACIJSA-N 273.420 3.881 30 20 CHED CC(C)(C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 728618382 ZKLHAIMHCHAHHO-UHFFFAOYSA-N 297.329 3.718 30 20 CHED CC[C@@H](NC(=O)C(C#N)(CC)CC)c1ccccc1OC 828118092 QBEQVSPHWQFEPW-CQSZACIVSA-N 288.391 3.592 30 20 CHED C[C@@]1(CNc2cccc(F)c2C#N)CC1(Cl)Cl 828791009 OCLSORCLGPDRHN-NSHDSACASA-N 273.138 3.693 30 20 CHED O=C(/C=C\c1nccn1-c1ccccc1)c1ccc(F)cc1 588579543 RWFDFNSUYYPFIY-KHPPLWFESA-N 292.313 3.908 30 20 CHED C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2ccc(Cl)cc21 581985301 ARTCXUNQMMJDKN-XHSDSOJGSA-N 277.795 3.651 30 20 CHED CC(C)(CCC#N)CNCc1ccc2cnccc2c1 588930353 PDIUICPWNUIROE-UHFFFAOYSA-N 267.376 3.654 30 20 CHED Cc1ccc(SCc2ccc(OCC#N)cc2)nc1 731158045 OUFIPUWHXLXPSF-UHFFFAOYSA-N 270.357 3.585 30 20 CHED N#CCOc1ccc(COC(=O)CC2CCCCC2)cc1 733386605 ALTLXAJFUCIXCZ-UHFFFAOYSA-N 287.359 3.603 30 20 CHED C#C[C@@H](NC(=O)CCCCSC)c1ccc(Cl)cc1 491667175 MNUJYSSPLBHKAH-CQSZACIVSA-N 295.835 3.664 30 20 CHED CCCCCCCC(=O)Nc1ccc(-n2cccn2)nc1 900999154 XQHLLERKRFPAEK-UHFFFAOYSA-N 286.379 3.566 30 20 CHED CC[C@H](C)[C@@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 497330990 GOOOODWQTDTWIM-GOEBONIOSA-N 286.419 3.824 30 20 CHED C#CCC[C@@H](C)OC(=O)/C=C\c1cnc(C(C)(C)C)s1 839042313 ZZKCNYMKBZDOTD-ZWLSGLHFSA-N 291.416 3.799 30 20 CHED CSCCCS[C@@H](C#N)Cc1ccc(C)cc1 582486847 FVSZAIMYURFBJM-CQSZACIVSA-N 265.447 3.916 30 20 CHED C=CCC[C@@H](N[C@H](C)CCC1CCCCC1)C(=O)O 901693373 SSKQYXUPLSTNSY-UKRRQHHQSA-N 267.413 3.744 30 20 CHED CCCCCN(Cc1ccc(OCC#N)cc1)C(C)C 731211444 JTWZFXYOJGCBFK-UHFFFAOYSA-N 274.408 3.990 30 20 CHED Cc1ncsc1COc1ccc(C(F)(F)F)c(C#N)c1 589269311 VYMFTCYAXKNNNS-UHFFFAOYSA-N 298.289 3.921 30 20 CHED CCOC(=O)C[C@H](C)SCCCCC1(C#N)CCC1 901494813 MNSGIDXZTGJAKE-ZDUSSCGKSA-N 283.437 3.925 30 20 CHED C=CCCCOC(=O)[C@H](C)Oc1cc(C)ccc1Cl 735531075 VTGJDVRMKMLZSQ-LBPRGKRZSA-N 282.767 3.925 30 20 CHED Cc1cc(C#N)ccc1COC(=O)C1(C(F)(F)F)CCC1 835242222 NSCIWJNLCZOTBG-UHFFFAOYSA-N 297.276 3.643 30 20 CHED Cc1ccc([C@H]2CCN(c3cc(C#N)cc(C)n3)C2)c(C)c1 588037523 LQLDOSWUXVLSDG-KRWDZBQOSA-N 291.398 3.872 30 20 CHED Cc1ccccc1[C@@H](NC(=O)C#CC(C)(C)C)C1CC1 837413761 QXDMHVWBFVVCBN-KRWDZBQOSA-N 269.388 3.612 30 20 CHED C=CC[C@@H](NC(=O)NCc1ccc(C)cc1)c1ccncc1 734515667 OZOIMDWDOCOFFF-QGZVFWFLSA-N 295.386 3.507 30 20 CHED Fc1ccc(NN=C2CCC23CCOCC3)c(Cl)c1 901316577 CDPQEMZFTORLJX-UHFFFAOYSA-N 282.746 3.838 30 20 CHED Cc1cccc([C@@H](NC(=O)C#CC2CC2)C(C)(C)C)c1 837457293 XFLOYNVPXLIXRM-QGZVFWFLSA-N 269.388 3.612 30 20 CHED CC(C)(C)c1nc(CSCC2(CC#N)CC2)co1 901815160 KCCRCAMBVASDKY-UHFFFAOYSA-N 264.394 3.899 30 20 CHED C=C[C@@H](CCC(=O)O)NC/C=C\c1c(C)cc(C)cc1C 904014460 RKLCAHGKQWMLCW-WLMCBFPDSA-N 287.403 3.634 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(Cl)cc2F)C1 839042606 FRUFNFSGFNJPPX-MWLCHTKSSA-N 281.714 3.718 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)/C=C/SCc2ccco2)C1 839057316 SJMMOMASKMFEAT-ZYARKTQMSA-N 291.372 3.652 30 20 CHED C#CCC(C)(C)C(=O)Nc1cc(OCC)ccc1Cl 836794700 UNRXLONVKSZRSX-UHFFFAOYSA-N 279.767 3.727 30 20 CHED C=C(Cl)COc1ccc(C(C)=NOCC)cc1 917543162 GTPYYBMXXJQIQQ-UHFFFAOYSA-N 253.729 3.578 30 20 CHED C=CCN(C(=O)Nc1cccc(Cl)c1N(C)C)C(C)C 916709401 QGSCNEUEAAEWFY-UHFFFAOYSA-N 295.814 3.834 30 20 CHED C=CC(C)(C)CNC(=O)N[C@@H](CC)c1ccccc1OC 836292072 ASRXVFZWRPRCJW-AWEZNQCLSA-N 290.407 3.658 30 20 CHED N#Cc1ccc(C(=O)NCC2CCCCCCC2)s1 749322559 DYQBYCXVFUJLTC-UHFFFAOYSA-N 276.405 3.710 30 20 CHED O=C1/C(=C\c2cccs2)Cc2c(F)ccc(F)c21 749588962 GTQMOQLNQLQFSO-VURMDHGXSA-N 262.280 3.849 30 20 CHED C[C@]1(c2ccccc2)C[C@H]1/N=C\c1ccccc1O 741465627 WOJGXUDKFYFRQH-NVZRXXAXSA-N 251.329 3.541 30 20 CHED CO[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1O)C(C)C 745976860 OFZFKXWMFFEVDR-CBIOAZOESA-N 290.190 3.789 30 20 CHED C/C(C=NNc1ccc(Cl)nn1)=C\c1ccccc1 916288372 YEOQUMXJWQMTGS-ODVHXIOPSA-N 272.739 3.631 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Cc1ccc(C#N)cc1 598450438 WGTWZXACSBFTFW-ADKJBXEHSA-N 296.414 3.526 30 20 CHED CCCCCCC[C@H](C)CNC(=O)c1cc(C)on1 917869416 RSOMVQLNYVRLJG-LBPRGKRZSA-N 266.385 3.709 30 20 CHED CCN(c1nc(C#N)c(Cl)s1)[C@@H](C)c1cccnc1 596129621 UTUZGULAECESMO-VIFPVBQESA-N 292.795 3.651 30 20 CHED N#Cc1sccc1C(=O)N1CC[C@H](C2CCCCC2)C1 912453837 IDNOIAZKTGZDTE-ZDUSSCGKSA-N 288.416 3.662 30 20 CHED CC(C)[C@H](C#N)c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 596636576 CITUKUTXZGRYSI-HNNXBMFYSA-N 281.315 3.920 30 20 CHED CC[C@@H](C)CC(=O)N(c1ccc(C#N)cc1)C1CCC1 598884058 XYTIRVGLPKCEDN-CYBMUJFWSA-N 270.376 3.880 30 20 CHED CC[C@@H](C#N)C(=O)Nc1ccc(OCCC(C)C)c(F)c1 594422660 UAPJIOCHHJBOIJ-LBPRGKRZSA-N 292.354 3.739 30 20 CHED Cc1cccc(F)c1CNc1ncc(C#N)cc1Cl 742419467 CBFOFRZAXBLJNW-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C=CCOc1ccc(OC(=O)/C=C\c2cccs2)cc1 742860022 JOJWTHXWNKTUHP-KTKRTIGZSA-N 286.352 3.932 30 20 CHED CCCCCCCCCNC(=O)N1CCC(OCC)CC1 919654912 NTGTWBPTTXERGS-UHFFFAOYSA-N 298.471 3.948 30 20 CHED CC[C@H](COCC(F)(F)F)Nc1ccc(C#N)cc1C 846752257 FSQCXPNXLQWZEP-GFCCVEGCSA-N 286.297 3.636 30 20 CHED C=CCOC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 917297101 KCGSFBQDUIUSNA-CYBMUJFWSA-N 262.349 3.615 30 20 CHED Cc1ccc2c(c1)CCN(c1nc(C#N)c(Cl)s1)C2 596207564 KPRVQISDPMOBIN-UHFFFAOYSA-N 289.791 3.539 30 20 CHED C=CC(C)(C)C(=O)OCc1ccc2nc(C)sc2c1 842855225 LTOPRARFBXEQTF-UHFFFAOYSA-N 275.373 3.860 30 20 CHED C=CCN(C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C(C)C 840321905 SZBJZXOTBUYYJA-WBVHZDCISA-N 257.377 3.603 30 20 CHED CC[C@H](C#N)C(=O)Nc1ccc(-c2csc(C)n2)cc1 593392301 RIPIZLPVXTYNKO-LLVKDONJSA-N 285.372 3.607 30 20 CHED CC(C)N(C(=O)CC(C)(C)C#N)c1cccc(F)c1 598883369 UOPFJECSXSUIDF-UHFFFAOYSA-N 262.328 3.507 30 20 CHED C=CCCOCC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 682012830 SSNRFENDJBUFEM-HUUCEWRRSA-N 281.440 3.690 30 20 CHED CCC(=NNc1ncnc2sccc12)[C@H]1C[C@H]1C 841615043 UZHGXIYWWDBKDF-SCZZXKLOSA-N 260.366 3.525 30 20 CHED CC[C@H](CN[C@H](C)c1cccc(C#N)c1)CC(F)F 595416422 XHLFVGBVSXGUMW-NEPJUHHUSA-N 266.335 3.890 30 20 CHED C[C@@H]1CCCCCC1=NNc1nncc2ccccc12 844566452 GAJRRIYQGISBDO-GFCCVEGCSA-N 268.364 3.998 30 20 CHED CCCCCCCC(=O)N[C@@](C)(C#N)CC(C)C 749616585 XJNGGZUHXBKYGB-OAHLLOKOSA-N 252.402 3.791 30 20 CHED CCc1cnc(CON=Cc2ccccc2OC(C)C)o1 742351940 IJPNPDDJCAQBKE-UHFFFAOYSA-N 288.347 3.575 30 20 CHED C=C(C)CONC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 846539494 YAAXWKPWRLOPFI-SJORKVTESA-N 281.355 3.567 30 20 CHED N#CCc1ccccc1C(=O)OCCC1CCCCC1 744615590 VTRLCVVHCHPDOF-UHFFFAOYSA-N 271.360 3.880 30 20 CHED C[C@@H](CC(C)(C)C#N)N[C@@H](Cn1cccn1)c1ccccc1 925126529 BKGWBMVZHAVJAR-RDJZCZTQSA-N 296.418 3.542 30 20 CHED COC(=O)Cc1ccc(NN=C2CCCCCC2)cc1 844607373 WKXVKNLARZQBEW-UHFFFAOYSA-N 274.364 3.524 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1ccccc1SC(C)C 844562213 BUQJFACPHAWSEM-LLVKDONJSA-N 280.393 3.815 30 20 CHED Cc1ccc2c(c1)OCC/C(=C\c1ccc(O)c(F)c1)C2=O 755599865 SYMHFLCUWPMLTO-UKTHLTGXSA-N 298.313 3.889 30 20 CHED Cc1cc(F)cc(C(=O)OCc2cc(F)ccc2C#N)c1 759361400 XMZCJYXGOJHLJJ-UHFFFAOYSA-N 287.265 3.502 30 20 CHED COCCC(=NNc1ccccc1Br)C(C)C 756825499 HOFJSJFYIIECBA-UHFFFAOYSA-N 299.212 3.910 30 20 CHED CCCCCCCCNC(=O)N(C)CC1=CCSC1 852226843 OFCYAJOVJSAZSN-UHFFFAOYSA-N 284.469 3.662 30 20 CHED CCn1ccnc1C=NNc1cc(Cl)ccc1Cl 755752042 AFGJGUREDJWKQO-UHFFFAOYSA-N 283.162 3.656 30 20 CHED N#Cc1ccc(CCN[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 850345467 BDGIMNKEQGQTEH-HUUCEWRRSA-N 296.336 3.811 30 20 CHED Cc1cccc2nc([C@@H](C#N)C(=O)[C@H](C)C3CCCC3)[nH]c12 750712567 LICYXNGJPSJQRG-OCCSQVGLSA-N 295.386 3.874 30 20 CHED Fc1cccc(C=NOCCCCC(F)(F)F)c1 752764232 QEINNFZRQXWTKJ-UHFFFAOYSA-N 263.234 3.909 30 20 CHED C#CC[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1 757581942 YODUWECIQOCYBQ-GOSISDBHSA-N 295.357 3.639 30 20 CHED CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)CC(C)(C)C#N 926239000 ZJRGLJBMLYDFJH-WDEREUQCSA-N 264.335 3.881 30 20 CHED O=C(/C=C\c1cccc(-n2cccn2)c1)c1sccc1O 756623690 WDXOVMIUGIGQGV-WAYWQWQTSA-N 296.351 3.536 30 20 CHED N#Cc1ccc(NN=Cc2ccc(Cl)c(F)c2)cc1 921258065 IJBBYHMILYLAAY-UHFFFAOYSA-N 273.698 3.797 30 20 CHED O=C1CC2(CCCCC2)CC(=O)C1=CNc1ccc(O)cc1 920980215 DAXXHRKSQHMSCJ-UHFFFAOYSA-N 299.370 3.571 30 20 CHED CC[C@@H](/N=C\c1ccccc1O)c1ccc(OC)cc1 920947653 PGSQZWLMLISCTA-UWCCDQBKSA-N 269.344 3.971 30 20 CHED C=CCCc1noc([C@@H](C)N(CC)C(=O)OC(C)(C)C)n1 858778485 LDSRXFCOUVKFPH-LLVKDONJSA-N 295.383 3.506 30 20 CHED CCCC[C@@](C)(F)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 857601684 QQSYQRMASCDJGD-DZGCQCFKSA-N 296.773 3.939 30 20 CHED C=C(CC)CNc1ccc(OC(F)F)c(OC)c1 853064085 JRPXHLJICBFSBW-UHFFFAOYSA-N 257.280 3.675 30 20 CHED CO[C@@H](C/N=C\c1cc(Cl)ccc1O)C1CCCC1 852998179 IAYPGIZSSVNJDP-MBBOSUJBSA-N 281.783 3.670 30 20 CHED O=[N+]([O-])c1ccc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)c(Cl)c1 755689591 RAXUCOIDGKKAOG-GARJFASQSA-N 291.738 3.858 30 20 CHED Cc1cc(F)c(C(=O)O[C@H](C#N)C2CCCCC2)c(F)c1 850320065 IWPOMDVXDJZDJD-CQSZACIVSA-N 293.313 3.903 30 20 CHED C[C@H](NCc1ccc(C#N)cc1)c1cc(Cl)ccc1O 756421014 XBXAWSAXLQXRTG-NSHDSACASA-N 286.762 3.768 30 20 CHED CC(C)(C#N)CCCOC(=O)C1CCC2(CC1)CC2 850266956 JKFSSIGXBFVDIV-UHFFFAOYSA-N 263.381 3.830 30 20 CHED C#CCC(C)(C)c1nc(C2(c3ccc(F)cc3)CCC2)no1 857093986 XQUVJGWMTRCOJS-UHFFFAOYSA-N 298.361 3.980 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1ccccc1C#N)C2=O 755590911 QRSMTZQVLOQGQE-CXUHLZMHSA-N 259.308 3.689 30 20 CHED CCCn1nccc1/C=C\C(=O)c1csc(C(C)C)n1 853006475 GTDATVCHDXTKHL-WAYWQWQTSA-N 289.404 3.769 30 20 CHED C#CCCCOC(=O)/C(C)=C\c1ccccc1Cl 756520387 PEQSJCOGRMCVGY-QXMHVHEDSA-N 262.736 3.700 30 20 CHED CC(=NNc1ccc(F)cc1F)c1sccc1O 769766633 PEPSEDQEVNCPMH-UHFFFAOYSA-N 268.288 3.568 30 20 CHED CC#CCCOC(=O)C(C)(C)c1ccc(Cl)cc1 760282741 LDOOOILSVRLVHY-UHFFFAOYSA-N 264.752 3.574 30 20 CHED Clc1ccc(NN=Cc2cncs2)c(Cl)c1 767754068 GYYRPOXKPTZBRV-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CCCCCC[C@H](C)NN=Cc1cnc(C2CC2)o1 863097904 RPWAISSOQPSWEV-LBPRGKRZSA-N 263.385 3.834 30 20 CHED CC(=NN=C1C[C@H](C(C)C)c2ccccc21)c1cnccn1 766453267 BKFGYEPQAUONMW-MRXNPFEDSA-N 292.386 3.833 30 20 CHED Clc1cccc(Cl)c1NN=Cc1cncs1 767792691 PWYLKNXSUIGNPP-UHFFFAOYSA-N 272.160 3.896 30 20 CHED CCCC[C@@H]1CCCC1=NNCCOCC(F)(F)F 765599051 HXKGORVGQUQJNG-LLVKDONJSA-N 280.334 3.501 30 20 CHED C=C[C@H](OC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccccc1 860883483 TZQXJKJUEOYVNZ-FDICVXPISA-N 274.360 3.516 30 20 CHED CCC(C#N)(CC)C(=O)OCc1c(C)cc(C)cc1F 860718997 XFJLZUJUNRAGKP-UHFFFAOYSA-N 277.339 3.816 30 20 CHED Cc1ccc(NN=C2CCCc3c(C)ccc(C)c32)nn1 769779919 QAYXWFLLGNXLFI-UHFFFAOYSA-N 280.375 3.554 30 20 CHED COc1cc(F)ccc1NN=C1C[C@H](OC(C)C)C1(C)C 761889288 CYPYVBPFHDXSCQ-HNNXBMFYSA-N 294.370 3.826 30 20 CHED C=CC[C@H](C)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 166145742 ULBXPCXNRSNGPI-ZNMIVQPWSA-N 296.455 3.624 30 20 CHED COc1ccc(CNN=Cc2ccc(Cl)cc2C)cc1 767371271 VIYLCJWITWKPIW-UHFFFAOYSA-N 288.778 3.781 30 20 CHED C#CCCN(C/C(C)=C/c1ccccc1)CC(F)(F)F 768533706 JXNPOGJCQVUDDA-SDNWHVSQSA-N 281.321 3.978 30 20 CHED C#CCN(CCCc1ccncc1)[C@H]1CCc2ccccc21 764953593 KYFSYUUNDRRUOI-FQEVSTJZSA-N 290.410 3.637 30 20 CHED Cc1ccoc1C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 769784188 PSQNBBRFLGQECM-NSCUHMNNSA-N 290.702 3.866 30 20 CHED Cc1cc(/C=C/C(=O)c2ccnc(Cl)c2)ccc1C#N 766492070 UTFOBHLBNDBONQ-HWKANZROSA-N 282.730 3.811 30 20 CHED C[C@@H](Nc1cccc(CC#N)n1)c1c(F)cccc1F 1119959446 LCOIQXYMYVTLEV-SNVBAGLBSA-N 273.286 3.599 30 20 CHED CC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)C1CC1 1163745227 VCRYRWFYDROPJQ-CYBMUJFWSA-N 257.381 3.851 30 20 CHED N#CC1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 769192710 WMJBCBODECNMFX-UHFFFAOYSA-N 292.382 3.795 30 20 CHED C#Cc1cccc(N(C)C(=O)C2C[C@@H](C)C[C@H](C)C2)c1 779916026 RNVYGPMHHYOZSA-KBPBESRZSA-N 269.388 3.703 30 20 CHED C#CC[C@H](N[C@H]1CCO[C@@H](C(C)C)C1)c1ccccc1 776744238 GDICHGZULFDHAW-OKZBNKHCSA-N 271.404 3.544 30 20 CHED C#CCN(CC1CC1)C(=O)c1ccc(C(C)C)c(Cl)c1 1116721044 OSCBTIRQRYCSDO-UHFFFAOYSA-N 289.806 3.949 30 20 CHED C=C(C)CN(C)Cc1c(C)nn(-c2ccccc2)c1Cl 778230083 DDYFCHCPFUEWGN-UHFFFAOYSA-N 289.810 3.842 30 20 CHED C#C[C@H](C)N(C)Cc1cc(-c2ccccc2)cs1 775184000 RMIYMVTUKNYPSY-ZDUSSCGKSA-N 255.386 3.869 30 20 CHED CC(C[C@@H]1CCOC1)=NN[C@@H](Cc1ccccc1)C(C)C 777447095 DFVFKMNEHCEWLW-ROUUACIJSA-N 288.435 3.646 30 20 CHED Cc1cccc(NC(=O)Cc2ccccc2CC#N)c1C 776727446 GGDJMAKUHRRXSK-UHFFFAOYSA-N 278.355 3.551 30 20 CHED CC[C@H](Oc1ccccc1C)C(=O)OCCC(C)(C)C#N 776394250 WBPNBGPOZIIDDT-AWEZNQCLSA-N 289.375 3.636 30 20 CHED N#Cc1cccc(OCCn2nc(Cl)c3ccccc32)c1 779462919 RZGMXCBTCFQKDZ-UHFFFAOYSA-N 297.745 3.640 30 20 CHED CCCCCCCCC(=O)N1CCC(C)(OC)CC1 775194032 UVJPPUGFTBKNOJ-UHFFFAOYSA-N 269.429 3.765 30 20 CHED C#C[C@H](N[C@@H](CC)c1ccc(Cl)s1)[C@@H]1CCCO1 775572973 VQFAWYCYNVNUCK-SRVKXCTJSA-N 283.824 3.623 30 20 CHED CCN1CCC(=NNc2nc3ccccc3cc2C)[C@@H](C)C1 776782263 HFHPECOCCAPTMB-AWEZNQCLSA-N 296.418 3.673 30 20 CHED C=C[C@@H](CC)OC(=O)c1[nH]c(-c2ccccc2)nc1C 776101213 OBSRILANKMDYDI-ZDUSSCGKSA-N 270.332 3.507 30 20 CHED CCC(CC)[C@@H]1C[C@H](/N=C\c2ccccc2O)CCO1 777872781 CHRGFSKMGBHGLG-VZKYXMTBSA-N 275.392 3.795 30 20 CHED CCC(=NO[C@H]1CCCCO1)c1cc(C)ccc1OC 771557898 QYFOQSXNGZTCBV-INIZCTEOSA-N 277.364 3.661 30 20 CHED C=CCCCC[C@@H](C)NCc1cc(OC)ccc1O 776256576 QSTDOAQIMKREGE-CYBMUJFWSA-N 263.381 3.625 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ccc(C(=O)O)cc1 773180660 PSABMQQXMBTTTO-DOMZBBRYSA-N 272.348 3.775 30 20 CHED CC[C@H]1CCC[C@H](C=Nn2c(C)nc3ccccc3c2=O)C1 783789252 OSTFSYLCVAQKHC-GJZGRUSLSA-N 297.402 3.755 30 20 CHED C=CCCC[C@@H](NC1CCN(OC)CC1)c1ccccc1 883230856 SLBKWNNEHDHMSV-GOSISDBHSA-N 288.435 3.699 30 20 CHED C[C@@H](OC(=O)CC(C)(C)C#N)c1cc(F)cc(F)c1 784086090 ZGAHFWXXSFDBKE-SECBINFHSA-N 267.275 3.509 30 20 CHED C[C@H](OC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 785079831 HSJGKAWNSQZVSN-JTQLQIEISA-N 265.740 3.884 30 20 CHED CC(C)CNN=C1CCC[C@H]2CN(Cc3ccccc3)C[C@H]12 781124294 CYGQYKNCAVFUSS-ROUUACIJSA-N 299.462 3.520 30 20 CHED Cc1cccc2c1[C@H](C)CC2=NNc1ncncc1Cl 780282441 FAEXFVMOCDTOIR-SNVBAGLBSA-N 286.766 3.762 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C#N)cn1 783301052 SNAOJRXZBAXSNW-KPZWWZAWSA-N 295.361 3.506 30 20 CHED Clc1ccsc1C=NNc1nncc2ccccc12 782114224 KUVGKFJEBPNGKG-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=C[C@](C)(CC)C(=O)Oc1c(F)cccc1Cl 786638561 NQPDBMIZTNHBGF-CYBMUJFWSA-N 256.704 3.987 30 20 CHED Cc1cc(C=NN[C@@H]2CCCC2(C)C)cc(Cl)n1 782286363 JBZDITLJDUBGFP-GFCCVEGCSA-N 265.788 3.546 30 20 CHED COc1cc(C(=O)O)ccc1NN=C[C@H]1CCCC[C@H]1C 783863507 RFSPWQPJVIGPNG-DGCLKSJQSA-N 290.363 3.617 30 20 CHED CCCC[C@@H]1CCCC1=NNc1ccc(OC)cn1 780270359 GXEMZVNJLLZKAG-GFCCVEGCSA-N 261.369 3.848 30 20 CHED CC(C)n1cc(C(=O)/C=C/c2ccc3c(c2)C[C@@H](C)O3)cn1 899350919 UCQPIYTVUAXJRC-DIECRNLCSA-N 296.370 3.684 30 20 CHED C#CCOc1ccc([C@H](C)NCCC2(C)CC2)cc1 794828399 OIABVRZAVWALPM-AWEZNQCLSA-N 257.377 3.539 30 20 CHED C(=NNc1ncnc2sccc12)c1ccc2occc2c1 794886767 CRBHYWOBIDXGEE-UHFFFAOYSA-N 294.339 3.884 30 20 CHED C=CCNN=Cc1c(CCCC)oc2ccccc12 794999230 DQZHRYOXETXPSC-UHFFFAOYSA-N 256.349 3.885 30 20 CHED C(CC1CCCCCC1)=NNc1nc(-c2ccncc2)no1 799112899 ZJXCPUOLGCUOKY-UHFFFAOYSA-N 299.378 3.890 30 20 CHED CC(=NNc1cccc2ccccc12)c1cc(C)n(C)n1 799878168 QOMIMZCWOUZVMS-UHFFFAOYSA-N 278.359 3.718 30 20 CHED N#CCC1(COC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 797075043 SGHPURLXXPBISS-RBSFLKMASA-N 275.392 3.830 30 20 CHED CC(C)Oc1ccccc1C=NN[C@@H](C)C(C)(C)C 793113635 BJVLSAFLYCIYCT-ZDUSSCGKSA-N 262.397 3.832 30 20 CHED C#C[C@@H](NC(=O)CCCCCc1ccc(F)cc1)C(C)C 799042730 NDEJPLIWBFJGJI-QGZVFWFLSA-N 289.394 3.703 30 20 CHED CC(C)Cc1cccc(C(=O)/C=C\c2ccnn2C)c1 794724211 ODMYQEWVTIXNNB-FPLPWBNLSA-N 268.360 3.515 30 20 CHED C[C@H]1CC[C@H](NC(=O)Nc2cc(C#N)c(F)cc2F)CC1 1219884277 XDGRRNYJFJASDC-HOMQSWHASA-N 293.317 3.537 30 20 CHED CCSc1ccccc1C(C)=NNCC1CCOCC1 1319104917 ULBIRUORGNAWFY-UHFFFAOYSA-N 292.448 3.539 30 20 CHED CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2C)C1 186245809 BGEONLXZMFUVHQ-DLBZAZTESA-N 288.460 3.973 30 20 CHED CC1CCC(=NNc2ccc(C(C)(C)C)nn2)CC1 1321923279 SWACSQORLQHFDC-UHFFFAOYSA-N 260.385 3.752 30 20 CHED C=C[C@H](COC)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 1325620117 PMCJQOXWPQXOCQ-VDHUWJSZSA-N 273.420 3.749 30 20 CHED CS[C@@H]1CCCCN(Cc2ccc(C#N)cc2C)C1 186309830 UXPXXDXKHLGORP-MRXNPFEDSA-N 274.433 3.584 30 20 CHED C#C[C@@H](CC)NC(=O)c1ccc(OC)c(-c2ccccc2)c1 1324562565 XMBVQKUEWQTLGS-INIZCTEOSA-N 293.366 3.504 30 20 CHED Cc1nsc(NCc2cccc(C(F)F)c2)c1C#N 1328583902 CGIBEPFKZFOVGT-UHFFFAOYSA-N 279.315 3.873 30 20 CHED C#CCOc1cccc(NC(=O)c2ccccc2Cl)c1 730975644 HULXCJYVDSZEFS-UHFFFAOYSA-N 285.730 3.604 30 20 CHED Cn1ccc(NN=C2CCC[C@@H](C(C)(C)C)CC2)n1 1320698020 XZKQANZRSUTRII-GFCCVEGCSA-N 262.401 3.814 30 20 CHED C=CCCCCCCNCc1csc(C(=O)O)c1 689130532 QBQOYJSEULFEID-UHFFFAOYSA-N 267.394 3.672 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1NC1CCC(N(C)C)CC1 658039284 XQBMJAIVPBUTOF-VXLLPVPCSA-N 264.457 3.584 30 20 CHED Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1CC[C@H](C#N)C1 1331893785 GUBKOYBUBKXLCZ-FQUUOJAGSA-N 270.376 3.531 30 20 CHED N#Cc1cccc(-c2nnc(CCCc3ccccc3)o2)c1 1257747395 RMKGIWHQFARWBM-UHFFFAOYSA-N 289.338 3.784 30 20 CHED Cc1cc2cc(N[C@@H](C)CC(C)(C)C#N)ccc2n(C)c1=O 1333824274 WHFQNBMVVPFHDN-ZDUSSCGKSA-N 297.402 3.587 30 20 CHED CC(C)(C)[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 1193798761 WBFSEMQRXHGLDI-INIZCTEOSA-N 286.419 3.695 30 20 CHED C#Cc1ccc(COC(=O)c2cnc(C(C)C)s2)cc1 1345718194 FCHHEMALPCBAGI-UHFFFAOYSA-N 285.368 3.605 30 20 CHED C[C@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccco1 1349221251 IRTDRMJJHQUSAJ-SNVBAGLBSA-N 288.734 3.937 30 20 CHED C=C(CC(C)C)C(=O)N1CCn2c(Cl)ccc2[C@@H]1C 1348642597 HAAXIPWWKGNOTQ-LBPRGKRZSA-N 280.799 3.647 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2ccsc2C(F)F)C1 1347635010 JMLHBXSNPPPIOI-YUMQZZPRSA-N 271.288 3.535 30 20 CHED C#C[C@H](N[C@@H](C)C1CCC(F)(F)CC1)C(C)(C)C 809782908 KRTOSVPMUWFJJS-AAEUAGOBSA-N 257.368 3.838 30 20 CHED CCc1ccc(F)cc1C(=O)Nc1ccc(OC)c(C#N)c1 1438725577 ZLJMZDYCAJGDRE-UHFFFAOYSA-N 298.317 3.521 30 20 CHED Cc1ccc2oc(C(=O)[C@@H](C#N)c3cccc(F)n3)cc2c1 1524705729 TYFZXDVEXMWIJS-LBPRGKRZSA-N 294.285 3.765 30 20 CHED C=C(C)c1cccc(NCc2cc(C)c(C(=O)O)o2)c1 1602771856 CCBPGOFBATZUHT-UHFFFAOYSA-N 271.316 3.931 30 20 CHED C=C(C)[C@@H](NCCC(C)(C)C(=O)O)c1ccc(F)c(F)c1 1602747734 ZUQWYEYFDNETAJ-CQSZACIVSA-N 297.345 3.673 30 20 CHED C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F 1535439580 NTSWYIGNVGEQJT-ONGXEEELSA-N 278.302 3.601 30 20 CHED Cc1ccc(C#N)cc1C(=O)NC(C1CCC1)C1CCC1 1539516069 KURFLPHZBUGZHL-UHFFFAOYSA-N 282.387 3.565 30 20 CHED CC(C)c1cccc(N(CCO)Cc2cccc(C#N)c2)c1 1619470224 TUCXGNMVHXOABM-UHFFFAOYSA-N 294.398 3.681 30 20 CHED CC1(C)C[C@H](c2ccccc2)N(Cc2cc(C#N)ccn2)C1 1473573986 KVOOTTKJBLFXGZ-GOSISDBHSA-N 291.398 3.926 30 20 CHED Cc1ccc([C@@H]2C[C@H](C)N(c3cc(C)c(C#N)cn3)C2)cc1 1612321708 GMXQUEZVWRAQNB-DOTOQJQBSA-N 291.398 3.953 30 20 CHED CC(C)CC(C)(C)CNC(=O)c1cc(F)c(C#N)c(F)c1 1545264291 OSFOWPLHKKWNDU-UHFFFAOYSA-N 294.345 3.639 30 20 CHED C=C(Br)CN1CC(C)(C)CCC1(C)C 1659501917 DOJIVEKINOVVRH-UHFFFAOYSA-N 260.219 3.796 30 20 CHED N#Cc1cccc(CN(c2ccccc2)C2CC2)c1F 1658659770 MIOUDFXYBWRDFB-UHFFFAOYSA-N 266.319 3.866 30 20 CHED C=CC[C@@H](SC[C@H](C)c1ccccc1)C(=O)O 1588758166 FCHMJPFECZLFRS-WCQYABFASA-N 250.363 3.553 30 20 CHED Cc1cccc(C[C@@H](C)Nc2cccc(C#N)c2)c1 1664114080 DGRIXPSJKRTPJN-CQSZACIVSA-N 250.345 3.910 30 20 CHED C=C(CNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccccc1 1679071013 RFLGNRKVRXLOOG-KZNAEPCWSA-N 298.430 3.968 30 20 CHED C=C(C)C[C@H](NCc1ccc([C@H](C)CC)cc1)C(=O)O 1776137598 XTLBSDHOMHRHEB-CJNGLKHVSA-N 275.392 3.709 30 20 CHED CC(=NNc1ccccc1C(=O)O)[C@@H](C)CC(C)C 1776031922 DSRSQOQSHBEIRV-NSHDSACASA-N 262.353 3.855 30 20 CHED O=C(O)c1cccc(C=NNc2cc(F)cc(Cl)c2)c1 1776091366 HYOQXBOMVJUCSF-UHFFFAOYSA-N 292.697 3.623 30 20 CHED C=CCC(CC=C)C(=O)NCCOC1CCCCCC1 150739627 ZJMALELHGFTNLN-UHFFFAOYSA-N 279.424 3.610 30 20 CHED CC[C@H](C(=O)Nc1ccc(C#N)c(C#N)c1)c1ccccc1 150793967 RKRBLOXOSOIARL-KRWDZBQOSA-N 289.338 3.562 30 20 CHED C=CCC(CC=C)C(=O)NC[C@@H](C)Oc1ccc(C)cc1 150952634 YFIMRGZLBWVREC-OAHLLOKOSA-N 287.403 3.647 30 20 CHED Cc1ccccc1CCC(=O)Oc1ccc(C#N)cc1F 158206069 KVFOQUMDMUSERS-UHFFFAOYSA-N 283.302 3.544 30 20 CHED C=C(Cl)CN[C@H](C)c1cc2cccc(OC)c2o1 164633401 UGUKQQYCWUMYBQ-SNVBAGLBSA-N 265.740 3.845 30 20 CHED Cc1csc([C@H](C#N)C(=O)C2(CC(C)C)CCC2)n1 151039654 YFLDIXDZGOXFPQ-GFCCVEGCSA-N 276.405 3.844 30 20 CHED C=CC[C@@H](C)NC(=O)C[C@@H](C)c1ccc(F)cc1F 152250371 CMHSNURACBFUMV-GHMZBOCLSA-N 267.319 3.539 30 20 CHED C=CCOc1ccccc1C(=O)Nc1scnc1CC 157029817 RTAHBOSCZPNXDP-UHFFFAOYSA-N 288.372 3.523 30 20 CHED C=C(C)CNC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 156744062 IEAGWMFYMSAHQZ-INIZCTEOSA-N 288.391 3.508 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc(OCC#N)cc2)o1 20126498 UPKPYRWWVCACHV-GFCCVEGCSA-N 256.305 3.664 30 20 CHED CC[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)CC1 1663622369 AWNFXOJPKOXEHT-HNNXBMFYSA-N 256.393 3.879 30 20 CHED CC[C@H]1CCC[C@@H](Nc2cc(C#N)ccc2OC)C1 1205346755 FZRKBDVJHYTYLC-GXTWGEPZSA-N 258.365 3.948 30 20 CHED C=CCCCCN(C)CC(=O)Nc1ccccc1Cl 827383306 ALTSYCWHCPZPRH-UHFFFAOYSA-N 280.799 3.567 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@H]2CCC[C@@H](C)C2)c1 1678407812 BJZMUUXYLHGQGM-RISCZKNCSA-N 271.364 3.567 30 20 CHED C[C@@H](SC1CCCC1)C(=O)Nc1ccccc1C#N 7655813 UVIGCNARXYNGDJ-LLVKDONJSA-N 274.389 3.561 30 20 CHED CCN(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 233496980 IIHILKJIOIHEDD-UHFFFAOYSA-N 280.371 3.589 30 20 CHED CS[C@H]1CC[C@@H](Nc2cccc(Cl)c2C#N)C1 235066481 RICXRMUECAFOGP-ZJUUUORDSA-N 266.797 3.908 30 20 CHED CN(C(=O)CCC1CCCCC1)c1ccccc1C#N 128678903 CHONSEWLRODZOV-UHFFFAOYSA-N 270.376 3.882 30 20 CHED CC(C)(C#N)CCN1CCC[C@H]1C[C@H](O)c1cccs1 271989047 DGCMOGZIXFBWKG-KBPBESRZSA-N 292.448 3.576 30 20 CHED CCCOc1ccccc1NCc1ccc(C#N)cc1 35042558 XIIKXIYDNSCTCU-UHFFFAOYSA-N 266.344 3.959 30 20 CHED CCc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 35256346 RDKUKVPFPBJPLP-CQSZACIVSA-N 264.372 3.971 30 20 CHED C[C@@H](NCc1cc(F)ccc1F)c1ccc(C#N)cc1 37508431 GCSAXPQEPAHOHR-LLVKDONJSA-N 272.298 3.687 30 20 CHED CN(Cc1ccc(C#N)cc1Cl)c1ccccc1F 162897266 NCNSDQJZBXLGFQ-UHFFFAOYSA-N 274.726 3.987 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1cccc(C2CCC2)c1 291314842 SBGNSALZEIGIMN-INIZCTEOSA-N 256.349 3.832 30 20 CHED CC[C@H](CC#N)N[C@H]1CCCC[C@@H]1c1ccccc1 54183730 YNAGZCKBOLIYMW-ZACQAIPSSA-N 256.393 3.995 30 20 CHED CC(C)(C#N)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 187341108 HYNASWZMEWTSJX-QWHCGFSZSA-N 264.413 3.647 30 20 CHED N#C[C@@H](NC(=O)c1csc(Cl)c1)C1CCCCC1 188049638 LSZMRJAMOFIXFD-LLVKDONJSA-N 282.796 3.604 30 20 CHED N#Cc1cc2ccccc2nc1NC1CCCCC1 70266505 PDWOOCRLLNNJBV-UHFFFAOYSA-N 251.333 3.851 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC(CC)CC 606698488 GXIVCXGYFUJJTO-UHFFFAOYSA-N 274.408 3.820 30 20 CHED CC[C@H](O)[C@@H](CC)Nc1ccc(C(F)(F)F)cc1C#N 313114929 PCBWSNBKHQQQRP-YPMHNXCESA-N 286.297 3.538 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCC1 610519585 ASXSGBLUDCGTDX-SNVBAGLBSA-N 276.767 3.976 30 20 CHED Cc1cnc(CNc2nc(C(C)(C)C)ccc2C#N)s1 613425546 APOWIGIDNPMUDK-UHFFFAOYSA-N 286.404 3.628 30 20 CHED CCC(CC)N(CC)Cc1ccc(C#N)c(OC)c1 570319263 OJEXQLZXJYYVLM-UHFFFAOYSA-N 260.381 3.577 30 20 CHED N#CCC1CCN(C(=O)c2cc3cscc3s2)CC1 529001028 HODJUQNDOZUDLG-UHFFFAOYSA-N 290.413 3.729 30 20 CHED N#CC[C@@H]1CCCN(C(=O)CCCC2CCCCC2)C1 597918157 LAPBBPWLEZAVDD-INIZCTEOSA-N 276.424 3.889 30 20 CHED C[C@H](NCc1ccc(F)cc1C(F)(F)F)C(F)(F)F 389331379 VCVFZXKFODLXQS-LURJTMIESA-N 289.194 3.885 30 20 CHED C=CC[C@@H](CC)NC(=O)c1cccc(C(F)(F)F)c1F 393817289 DWVFOGOCMFKYAU-SECBINFHSA-N 289.272 3.929 30 20 CHED CCOc1ccc(NC(=S)NN=C2CCCCC2)cc1 5658000 NPZRPQBHLSEOPE-UHFFFAOYSA-N 291.420 3.692 30 20 CHED Cc1ccc(SCC/N=C/c2cccc(O)c2O)cc1 17309319 YNEXKVCCYPIASO-GZTJUZNOSA-N 287.384 3.617 30 20 CHED CCCc1ccccc1NC(=O)COc1ccccc1C#N 24501514 AEHDFSHMHOMQRT-UHFFFAOYSA-N 294.354 3.528 30 20 CHED Cc1cc(C)c(C#N)c(NCC(C)(C)c2ccccc2)n1 25503418 SBOPRHQINRNEEI-UHFFFAOYSA-N 279.387 3.960 30 20 CHED CCN(CCOc1cccc(C#N)c1)C1CCCCC1 34674117 RHMZFZTZYFQKAZ-UHFFFAOYSA-N 272.392 3.592 30 20 CHED COc1ccc(Cl)cc1CNc1cccc(C#N)c1 35180110 TXEJNCOKWCCHIV-UHFFFAOYSA-N 272.735 3.832 30 20 CHED COc1cccc(CNc2cc(Cl)ccc2C#N)c1O 36954468 UYFSBWAGOXSBEY-UHFFFAOYSA-N 288.734 3.538 30 20 CHED N#Cc1cccc(OCCSc2nc3ccccc3[nH]2)c1 37143603 UQOJASBGZFKNHR-UHFFFAOYSA-N 295.367 3.606 30 20 CHED C[C@@H](C#N)CN(C)Cc1c(Cl)cccc1Cl 42324825 ZGDXFMADIPKNTQ-VIFPVBQESA-N 257.164 3.585 30 20 CHED N#Cc1c(Cl)cccc1NCCOc1ccccc1 48727828 NPLBOZCJTVIJDZ-UHFFFAOYSA-N 272.735 3.703 30 20 CHED CCCC1CCC(NC(=O)c2ccc(C#N)cc2)CC1 48769673 ASHPVYUOAOXBQN-UHFFFAOYSA-N 270.376 3.647 30 20 CHED CCCCCC(=O)Nc1cccc(OCCCC#N)c1 48801047 VNSWCBDTKDKUEB-UHFFFAOYSA-N 274.364 3.888 30 20 CHED Cc1c(CNc2ccc(CC#N)cc2)cccc1[N+](=O)[O-] 51601519 JQSQMGNKSNUCJY-UHFFFAOYSA-N 281.315 3.581 30 20 CHED C=CCN(CC=C)Cc1csc(C2CCCC2)n1 58396159 QHYRXXCJDQVGNF-UHFFFAOYSA-N 262.422 3.975 30 20 CHED CC[C@@H]1CCC[C@@H](NCc2cccc(OCC#N)c2)C1 68590229 SVEHTPVPVLORPB-GDBMZVCRSA-N 272.392 3.647 30 20 CHED C[C@@H](CC#N)N[C@@H](C)c1ccc(Cl)c(Cl)c1 68607780 ONIQGVUYDYMXPQ-IUCAKERBSA-N 257.164 3.946 30 20 CHED N#Cc1ccc(OC(F)F)c(NC(=O)CC2CCCC2)c1 76194654 JPKGZXOIRSECDJ-UHFFFAOYSA-N 294.301 3.678 30 20 CHED CCCCCC[C@](C)(CCC)C(=O)N1CCO[C@@H](C#N)C1 80080960 YKHNNYSUDWTJJU-RDJZCZTQSA-N 294.439 3.514 30 20 CHED Cc1ccc(N(CCCSCC#N)C(C)C)cc1 80723055 DKXSMLXGJCKSOI-UHFFFAOYSA-N 262.422 3.857 30 20 CHED CC[C@@H]1CCC[C@H](Nc2c(C#N)nnc3ccccc23)C1 85920685 NZABTPFUVPHQMR-OLZOCXBDSA-N 280.375 3.882 30 20 CHED N#Cc1ccc(NC[C@@H]2CCCC[C@H]2O)cc1C(F)(F)F 86015620 HNOXHXIZCPRCFB-SMDDNHRTSA-N 298.308 3.540 30 20 CHED CCN(Cc1ccc(CSC(F)F)o1)C[C@H](C)C#N 91983820 XMYUVSPLRUOZOA-SNVBAGLBSA-N 288.363 3.717 30 20 CHED Cc1cc(Nc2snc(Cl)c2C#N)ccc1F 92649908 FESAMYGRRDOUOS-UHFFFAOYSA-N 267.716 3.859 30 20 CHED CC(C)N(Cc1cccnc1)Cc1ccc(F)c(C#N)c1 93224046 YHYNULVPBXOZDL-UHFFFAOYSA-N 283.350 3.503 30 20 CHED N#Cc1csc(CNc2cccc3cccnc23)c1 93684901 XXVOFNCYKFRGTN-UHFFFAOYSA-N 265.341 3.780 30 20 CHED Cc1ccc([C@@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1 94591810 VQDRVWGQIMMNOJ-GFCCVEGCSA-N 281.315 3.948 30 20 CHED C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 104996987 MMUJHGCJVHXNQC-SWLSCSKDSA-N 285.391 3.798 30 20 CHED CC[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C(C)C 105754169 JYJFVGZFNCDWQD-OLZOCXBDSA-N 283.375 3.811 30 20 CHED C[C@H](CC#N)OC(=O)c1nc(-c2ccccc2)oc1C1CC1 113692940 XNOKUXAPZHGHHZ-LLVKDONJSA-N 296.326 3.678 30 20 CHED C[C@@H](CC#N)OC(=O)c1ccc(-c2ccccc2F)o1 113694204 AEIQCMVKBXTHDD-JTQLQIEISA-N 273.263 3.545 30 20 CHED Cc1nc(C)c(C#N)c(S[C@H](C#N)C2CCCCC2)n1 115187126 JBNPGVVMAJASGO-CQSZACIVSA-N 286.404 3.530 30 20 CHED CCCCCCCCC(=O)NC[C@@H](N)c1ccccc1 116308859 AWFFMBXMYFPNNW-MRXNPFEDSA-N 276.424 3.553 30 20 CHED CC(C)[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(C#N)cc1 117481109 SNDWYHRFFVRFLF-RHSMWYFYSA-N 299.418 3.839 30 20 CHED C#CCCCCC(=O)Nc1ccc(N2CCCC2)cc1C 119490811 XIBYRLBZIYYACS-UHFFFAOYSA-N 284.403 3.727 30 20 CHED C=C[C@@H](CC(=O)N(C)[C@H](C)c1ccncc1)c1ccccc1 119799803 LUITXGIEGOVHJF-CVEARBPZSA-N 294.398 3.961 30 20 CHED Cc1cc(CN2CCC(C#N)CC2)sc1Br 123714289 MMBDGFUIGAZJCS-UHFFFAOYSA-N 299.237 3.555 30 20 CHED C=CCC(CC=C)c1nc(Cc2ccccc2)no1 124458057 ALPWFFIRXHAVJS-UHFFFAOYSA-N 254.333 3.896 30 20 CHED Cc1ccc2c(c1)C(=O)/C(=C\c1cncs1)CC2 125420883 XYHXHOWLLGVGRI-GHXNOFRVSA-N 255.342 3.664 30 20 CHED CN(C)c1ccc(C(=O)/C=C\c2c[nH]nc2C(C)(C)C)cc1 127369396 IFPXQZGHCDVLNW-FLIBITNWSA-N 297.402 3.669 30 20 CHED Cc1cccc(OC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 130483247 GRJVRHUTJHLUHX-UHFFFAOYSA-N 295.338 3.630 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)CCc1ccc(C#N)cc1 130679156 HFVPSUCMHZXDPX-CQSZACIVSA-N 286.419 3.822 30 20 CHED C[C@H](N[C@H]1CCc2c(O)cccc21)c1cccc(C#N)c1 135043728 YYCVRKNYCUNRKF-SJCJKPOMSA-N 278.355 3.602 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1nc2ccccc2n1C 150744865 RUAXRLRVVGLUJS-CYBMUJFWSA-N 297.402 3.519 30 20 CHED CCOc1cc(F)ccc1NCCCC(C)(C)C#N 153372554 DPHVNHNFDYRYDR-UHFFFAOYSA-N 264.344 3.966 30 20 CHED C=C(C)COc1cccc(NC(=O)c2[nH]c(C)cc2C)c1 153746266 LOHVCXQCGRWKSY-UHFFFAOYSA-N 284.359 3.839 30 20 CHED C[C@@H]1CCC[C@@H](CC(=O)NC2(C#N)CCCCC2)C1 154097989 FJONBBFVKSXFJT-ZIAGYGMSSA-N 262.397 3.545 30 20 CHED N#CCCOc1ccc(Oc2ccc(C#N)cc2)cc1 155488301 GIFSVHJKCKEIAW-UHFFFAOYSA-N 264.284 3.643 30 20 CHED CC[C@H]1c2ccsc2CCN1CCC(C)(C)C#N 157674893 HAAKOIZXCCVNTN-ZDUSSCGKSA-N 262.422 3.997 30 20 CHED C=C(C)CN(CC)Cc1cnc(C)n1-c1ccccc1 159001051 GLUFSHPNBZTXIY-UHFFFAOYSA-N 269.392 3.579 30 20 CHED CCCCCCCCN[C@@H]1CCOC2(CCOCC2)C1 159297929 XHKXVPGFXCPECZ-MRXNPFEDSA-N 283.456 3.665 30 20 CHED N#Cc1ccc(C(=O)N[C@H]2CC23CCCCC3)cc1Cl 159806609 VOIZLCTZUPLBNY-AWEZNQCLSA-N 288.778 3.664 30 20 CHED Cc1ccc(-c2ccc(C(=O)NC3(C#N)CC3)c(F)c2)cc1 160877018 FTOABWCIOBZMRZ-UHFFFAOYSA-N 294.329 3.587 30 20 CHED CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)cc1 160943040 MMYBSXUWJXJUJH-GOEBONIOSA-N 270.376 3.599 30 20 CHED C[C@@]1(CNc2c(F)cc(C#N)cc2F)CCCS1 161951841 NJFJAXQOCSRQNC-ZDUSSCGKSA-N 268.332 3.534 30 20 CHED CCCOC(=O)[C@@H](C)Sc1ccc(C#N)cc1Cl 163337370 AFWCOSADOCWQAV-SECBINFHSA-N 283.780 3.645 30 20 CHED CC(C)(C#N)CNCc1c(Cl)oc2ccccc12 168922280 RLMHZBIZEZQPRE-UHFFFAOYSA-N 262.740 3.726 30 20 CHED Cc1ccccc1C1(CNC(=O)C(C)(C)C#N)CCCCC1 170628691 PLJJKAOHCYYURP-UHFFFAOYSA-N 298.430 3.863 30 20 CHED C=CCN(CC=C)C(=O)Nc1ccc2[nH]c(C)cc2c1 171404217 LYPFSFDAXOKEQU-UHFFFAOYSA-N 269.348 3.682 30 20 CHED C=CCOCCCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 173191820 BXONYHVVMIXXEV-HNNXBMFYSA-N 295.810 3.890 30 20 CHED C[C@@H](C#N)CNC(=O)c1ccccc1Sc1ccccc1 173647901 YEZCJEROYRUVLY-ZDUSSCGKSA-N 296.395 3.727 30 20 CHED C[C@H]1CN(C(=O)C2(C#N)CCCC2)CC[C@@H]1c1ccccc1 173946680 WDZJWKGMZSEFIK-RDJZCZTQSA-N 296.414 3.723 30 20 CHED N#C[C@H](C(=O)Nc1ccccc1)C(=O)C1CCCCCCC1 173965678 BNSBXHQBPBHLBA-INIZCTEOSA-N 298.386 3.694 30 20 CHED N#Cc1ccc(CNCc2csc(-c3ccccc3)n2)o1 174311829 XTWCQBGNJKWWPO-UHFFFAOYSA-N 295.367 3.565 30 20 CHED C=CCCCC(=O)Nc1ccc(-c2cnc(C)o2)cc1 175229860 VBRVZQYGYNTROS-UHFFFAOYSA-N 270.332 3.945 30 20 CHED C[C@H](CC1CCCC1)C(=O)Nc1ccc(F)cc1C#N 177565006 PGGLVBARAVWMGN-LLVKDONJSA-N 274.339 3.852 30 20 CHED C#Cc1cccc(NC(=O)c2cnc3ccc(F)cc3c2)c1 179413574 YDCXVMAAUVMPNA-UHFFFAOYSA-N 290.297 3.608 30 20 CHED Cc1cnc(CSCc2cc(F)ccc2C#N)s1 179999298 ILZWHPICSUEEIX-UHFFFAOYSA-N 278.377 3.896 30 20 CHED C=C(C)CN(C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 180387462 QLVXTSMITBKRJE-LBPRGKRZSA-N 265.784 3.553 30 20 CHED C=CCCO[C@@H](C)C(=O)N(Cc1ccccc1)C(C)(C)C 180442146 ITZJWCMTTUQLKR-HNNXBMFYSA-N 289.419 3.795 30 20 CHED N#Cc1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3Cl)nc2c1 181344312 IIGBQVQGHIJXSW-UHFFFAOYSA-N 298.689 3.663 30 20 CHED C[C@H](NCC1(C2CC2)CCC1)c1ccc(OCC#N)cc1 182059077 FVHVCQGQYDUPAH-AWEZNQCLSA-N 284.403 3.820 30 20 CHED CCc1ccccc1C(=O)Nc1ccccc1O[C@H](C)C#N 182073868 CEGJPXITEDTYFS-CYBMUJFWSA-N 294.354 3.792 30 20 CHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1ccccc1F 182641784 IEONVUKUOJOQDY-STQMWFEESA-N 263.356 3.790 30 20 CHED C=CCCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 182869459 MKBUFHHBIGYNLV-LBPRGKRZSA-N 273.355 3.547 30 20 CHED CC#CCCCC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 185556550 VZZNUBFQZGKCOP-GOSISDBHSA-N 283.415 3.722 30 20 CHED CC(C)(C)NC(=O)c1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 185737916 ONYAQFCFEICJMJ-ZFWWWQNUSA-N 299.418 3.709 30 20 CHED N#C[C@@H]1CCC[C@@H](NCc2csc(-c3ccco3)n2)C1 185863613 ZDJAZLFYIHYLKJ-VXGBXAGGSA-N 287.388 3.575 30 20 CHED CC(C)c1ccc2c(c1)[C@H](NC(=O)NCCCCC#N)CC2 186557187 UEOWVMVIMBDRCF-QGZVFWFLSA-N 299.418 3.790 30 20 CHED C=CC[C@@H](C)[C@H](C)NCc1nc2cc(C)ccc2n1C 187575460 HSSXILRHOYXXLL-KGLIPLIRSA-N 271.408 3.572 30 20 CHED C=C[C@@](C)(CC)C(=O)N[C@@H](C#N)c1ccccc1Cl 188048680 VSTLAEIMPFYNTA-ZFWWWQNUSA-N 276.767 3.623 30 20 CHED C=CC[C@H](C)[C@H](C)NCc1ccc(Br)o1 188739720 PDZOAKHLWHZGFZ-UWVGGRQHSA-N 272.186 3.732 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(C#N)c2)cnn1C(C)C 188880834 YQNBVWNNKFFWFF-BQYQJAHWSA-N 279.343 3.540 30 20 CHED C[C@@H](SCCOCC(F)F)c1cccc(C#N)c1 190067964 JTIGKXZUZFNHGV-SNVBAGLBSA-N 271.332 3.634 30 20 CHED Cc1ccc([C@H]2CCCCCN2Cc2cc(C#N)n(C)c2)o1 191384712 HAXPMRDLVBMTMO-QGZVFWFLSA-N 297.402 3.916 30 20 CHED N#Cc1ccc(COc2ccc(F)cc2F)cc1F 191573544 BVHKKGIFSXPULK-UHFFFAOYSA-N 263.218 3.555 30 20 CHED C#CCCCC(=O)NC(C)(C)Cc1ccccc1Cl 192273365 QPLWZHNZZIHDLK-UHFFFAOYSA-N 277.795 3.581 30 20 CHED N#Cc1ccc(C(=O)COc2ccc(Cl)cc2F)cc1 192786104 OHJIXLYMPQYBIK-UHFFFAOYSA-N 289.693 3.612 30 20 CHED COc1ccc(Cl)c(N[C@@H]2CCC[C@H](C#N)C2)c1 193270465 ABKUPDONAUFGDW-WDEREUQCSA-N 264.756 3.843 30 20 CHED CCCc1nc(COc2ccc(C#N)c(OC)c2)cs1 194514945 OCUGBNGWMXEJTO-UHFFFAOYSA-N 288.372 3.555 30 20 CHED CCC1CC(=O)C(=CNc2ccc(C)c(C)c2)C(=O)C1 194955643 RHDDSCOIEYSFSK-UHFFFAOYSA-N 271.360 3.557 30 20 CHED C=CCCCCCSc1nnc(C)n1CCC 195444558 ITUCZLBJAXBVOU-UHFFFAOYSA-N 253.415 3.835 30 20 CHED Cc1cc(C)c(C#N)c(NCCO[C@@H]2CCCC[C@@H]2C)n1 195667704 PXEMRVHACARPFV-BLLLJJGKSA-N 287.407 3.577 30 20 CHED CC(C)[C@@H]1CCCN(Cc2cccc(C#N)c2F)CC1 221984248 YKMBZTAPDMUBNO-CQSZACIVSA-N 274.383 3.955 30 20 CHED C=CCSCCNCc1nc(-c2ccccc2)cs1 222056589 GJOLGVZHMOAUHW-UHFFFAOYSA-N 290.457 3.819 30 20 CHED C=CCSCCNCc1cccc2ccccc12 222061197 HLKHSOUZBHZIGE-UHFFFAOYSA-N 257.402 3.849 30 20 CHED CC1(C)CCN(c2cc(Cl)ccc2C#N)CCS1 228001589 QSHJXHDUQHZONW-UHFFFAOYSA-N 280.824 3.934 30 20 CHED C[C@H](NC[C@H]1CCC2(CCCC2)O1)c1ccc(C#N)cc1 229274416 XLOQREBLBDCPQK-WMLDXEAASA-N 284.403 3.701 30 20 CHED COc1ccccc1C[C@@H](C)NCC(C)(C)CCC#N 229691033 IVRXEDVINNSKIC-CQSZACIVSA-N 274.408 3.546 30 20 CHED Cc1coc(SCc2ccc(C#N)cc2Cl)n1 235937397 AMRVNUFZXVJLSF-UHFFFAOYSA-N 264.737 3.800 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 245652627 BPOGYQVWJKHRGA-HALDLXJZSA-N 296.414 3.796 30 20 CHED CCCCCCCCC(=O)NCc1cn2ccsc2n1 248231089 ALLCAUZUIAZLAW-UHFFFAOYSA-N 293.436 3.763 30 20 CHED COc1ccc(/C=C\C(=O)c2occc2C)cc1F 255107588 MLENQXZBIZQVHE-HYXAFXHYSA-N 260.264 3.632 30 20 CHED COc1ccccc1C=NOCc1ccc(F)cc1F 255325055 YZCVONHDWIYFLV-UHFFFAOYSA-N 277.270 3.524 30 20 CHED CCc1cccc(N=Cc2cccc(OC)c2O)c1 255525285 QKNPEYOKUXKFHF-UHFFFAOYSA-N 255.317 3.714 30 20 CHED Oc1ccccc1C=Nc1cc2c(cc1Cl)OCO2 255525464 UCJPJDFQLHDDDJ-UHFFFAOYSA-N 275.691 3.525 30 20 CHED N#Cc1cccc(NC[C@H]2CCCO[C@H]2c2ccccc2)n1 265486317 FHKSKMDOLRGRIN-QAPCUYQASA-N 293.370 3.533 30 20 CHED C=C(CN[C@@H](C)c1csc(C)n1)c1ccccc1 269394921 DTISQZFAEILSEM-LBPRGKRZSA-N 258.390 3.816 30 20 CHED C=CCN(CC=C)C(=O)c1ccccc1CCC(F)(F)F 270388997 QXKJOQLNYKYGHU-UHFFFAOYSA-N 297.320 3.996 30 20 CHED C[C@@H](NCCCC#N)c1cc(Cl)c(N)c(Cl)c1 273275773 PHRYSMKBNNCSSP-MRVPVSSYSA-N 272.179 3.530 30 20 CHED C=CCN(C(=O)c1cc(Cl)cc2cccnc12)C1CC1 273309411 TXARGAWCCLDRDW-UHFFFAOYSA-N 286.762 3.679 30 20 CHED CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(C#N)s1 276219766 QGHDXOSELYLSNO-NSHDSACASA-N 288.338 3.783 30 20 CHED C=CC[C@H]1N(C(=O)Nc2ncccc2C)CCCC1(C)C 277889415 NNJUNZRSXHPHDC-CQSZACIVSA-N 287.407 3.989 30 20 CHED COc1cc(CNC2(c3cccc(C#N)c3)CC2)ccc1C 278105052 AEUOBIQYGFTRFQ-UHFFFAOYSA-N 292.382 3.654 30 20 CHED Cc1nc(S[C@H]2CC[C@H](C#N)C2)n(CC(C)C)c1C 278610195 RQMLWJUCCVQHLE-KBPBESRZSA-N 277.437 3.940 30 20 CHED CC[C@H](NCCc1ccncc1C)c1ccc(C#N)cc1 278799780 RCDOSYFFIOPDCV-SFHVURJKSA-N 279.387 3.545 30 20 CHED COc1ccc(N(C#N)CCCCC(C)(C)C#N)cc1 279937776 LZRMXVZYNOMAPS-UHFFFAOYSA-N 271.364 3.703 30 20 CHED N#Cc1cc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)ccn1 283780427 QEASWWYLGBMFDN-CVEARBPZSA-N 299.761 3.549 30 20 CHED CN(Cc1c(F)cccc1Cl)[C@H]1CC[C@H](C#N)C1 284293117 ODWCFKXCSMOAAB-QWRGUYRKSA-N 266.747 3.603 30 20 CHED C=CCCCC(=O)N1CCC=C(c2ccccc2)C1 285095090 XQPMWXAKZQHWNZ-UHFFFAOYSA-N 255.361 3.659 30 20 CHED N#CCCCCNc1noc2ccc(Br)cc12 290479557 BGFIHFHUABFYNI-UHFFFAOYSA-N 294.152 3.696 30 20 CHED CC1(C)CN(Cc2cccc(C#N)c2)[C@@H]1c1cccnc1 292849711 TWNOLQMQLCHBJT-QGZVFWFLSA-N 277.371 3.536 30 20 CHED C#CCOc1cccc(-c2noc([C@H](C)C(C)(F)F)n2)c1 293317569 ZXXLFLQDBLQBRG-JTQLQIEISA-N 292.285 3.507 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1ccc(NC(C)=O)cc1 293561329 APKCLXAFQMUPCN-CYBMUJFWSA-N 274.408 3.898 30 20 CHED C=CCC(C)(C)CNC(=O)c1cccc([C@@H]2CCOC2)c1 294231858 MVCQQYFGSMFIIO-MRXNPFEDSA-N 287.403 3.523 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(CC#N)cc1 295756014 JBLBPGUMLMECQL-SFHVURJKSA-N 284.403 3.793 30 20 CHED CCc1cc(C#N)c(NC(=O)c2ccc(N(C)C)cc2)s1 298861781 QGWSLLHBEFTFHM-UHFFFAOYSA-N 299.399 3.500 30 20 CHED C[C@H](Nc1ccc(C#N)nc1)c1ccc(OC(F)F)cc1 301538121 UNCMYKSQCDHXRC-JTQLQIEISA-N 289.285 3.728 30 20 CHED COc1ccc([C@H](C)N(C)c2ccc(F)cc2C#N)cc1 301539274 RSLPPZVKYAVDHF-LBPRGKRZSA-N 284.334 3.903 30 20 CHED N#Cc1cccc(Sc2ccc([N+](=O)[O-])cc2F)c1 301634919 KVMQBAGTXOQWEL-UHFFFAOYSA-N 274.276 3.757 30 20 CHED C[C@@H](Nc1ccc(C#N)nn1)c1cccc(Cl)c1Cl 301998482 PLGCMWXLTRKMPQ-MRVPVSSYSA-N 293.157 3.828 30 20 CHED CC(=O)c1ccc(C#N)c(NCCc2ccc(F)cc2C)c1 302079170 BFPKOEBVRNRZGV-UHFFFAOYSA-N 296.345 3.863 30 20 CHED CSC1CCN(CCCCC(C)(C)C#N)CC1 302392143 VCJGBBXXWJJZGG-UHFFFAOYSA-N 254.443 3.534 30 20 CHED C=CCNC(=O)c1ccccc1NCc1cc(C)ccc1C 302848578 OMWRGZBGEXPBCW-UHFFFAOYSA-N 294.398 3.831 30 20 CHED Cc1nc(N2CCC3(CCC3)CC2)c(Cl)cc1C#N 308726495 LTKBTNSXWFVXQO-UHFFFAOYSA-N 275.783 3.686 30 20 CHED C[C@@H](NC[C@H]1Cc2ccccc21)c1ccc(OCC#N)cc1 315669293 ZUENXRHSDFTOEM-RHSMWYFYSA-N 292.382 3.579 30 20 CHED CCCCCCCCCC(=O)N[C@H]1CC[C@H](N)CC1 322828212 FOEBNVYKRRMQQY-SHTZXODSSA-N 268.445 3.513 30 20 CHED CC1(C/N=C(/O)[C@H]2CCCC(O)=N2)CCCCCC1 328773996 DWDGMEFEIBQAON-GFCCVEGCSA-N 266.385 3.812 30 20 CHED Cc1csc(C(C)(C)/N=C(/O)[C@@H]2CCC(=O)[C@@H](C)C2)n1 329020720 LWXJOPAJGDIILA-GXSJLCMTSA-N 294.420 3.648 30 20 CHED Cc1nc([C@H](C)/N=C(/O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n[nH]1 329187498 GVLAECPQVDPCLU-DOERSZECSA-N 290.411 3.737 30 20 CHED C[C@H](SCC1CC1)C(O)=N/C(O)=N/C1CCCCC1 329630128 VJAWEDXLFUGRSY-JTQLQIEISA-N 284.425 3.721 30 20 CHED OC1=Nc2cc(N=C(O)[C@@H]3CCSC3)ccc2CC1 329991326 JTTUYHKGMBNYFZ-SNVBAGLBSA-N 276.361 3.562 30 20 CHED Cc1nc(C2(/N=C(/O)[C@H](C)C3CC3)CCCCC2)no1 330085860 LUIPKBDJKWYZDF-SNVBAGLBSA-N 277.368 3.540 30 20 CHED CC[C@@H](CC#N)/N=C(/O)c1coc(C2CCCCC2)n1 330447652 YODOWFNOVALTHM-LBPRGKRZSA-N 275.352 3.719 30 20 CHED Cc1cc(-c2nc([C@@H]3CCC[C@H](C)C3)no2)ncc1C#N 331590629 BDIHSFRNCUVSHI-CMPLNLGQSA-N 282.347 3.605 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cccc(CC#N)c1 332280713 RGEOYUOKQQXWHA-UKPHBRMFSA-N 297.402 3.938 30 20 CHED C[C@H]1CCC[C@@](C#N)(NC(=O)C2CC(C(C)(C)C)C2)C1 332430599 IXHNJEWREUWMCK-VBRUCIBASA-N 276.424 3.647 30 20 CHED Cc1nc(CN2CC=C(c3ccc(C#N)cc3)CC2)cs1 334238099 JISCKGHROBQMOY-UHFFFAOYSA-N 295.411 3.613 30 20 CHED C[C@@H](C(=O)N1CCC(CC#N)CC1)c1cc2ccccc2o1 334345617 UZVVZSNNCQDMBD-CYBMUJFWSA-N 296.370 3.689 30 20 CHED CC(C)(C#N)C(=O)N1CCCc2c1cccc2C(F)(F)F 335128605 RSSANIABLGDBOZ-UHFFFAOYSA-N 296.292 3.534 30 20 CHED N#Cc1ccc(CN[C@@H]2CCc3sc(Cl)cc32)o1 336430534 WGPZELUGWXUWJA-LLVKDONJSA-N 278.764 3.643 30 20 CHED Cc1ccsc1CN(C)C(=O)c1cccc(C#N)c1C 337763443 QRSLEPLJXRAOEK-UHFFFAOYSA-N 284.384 3.509 30 20 CHED N#Cc1cnc2c(F)cc(F)cc2c1N[C@H]1CC[C@H](F)C1 340848463 JTLIMNIAWQCBKD-ONGXEEELSA-N 291.276 3.687 30 20 CHED C=CC1CCN(C(=O)c2cccc3ccsc23)CC1 342006427 DDBGHUPZXMPBJG-UHFFFAOYSA-N 271.385 3.940 30 20 CHED C[C@H]1C[C@H]1c1ccc(CNCC(C)(C)CCC#N)o1 343334614 NCTZIUBASRUCAO-GXTWGEPZSA-N 260.381 3.823 30 20 CHED CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)C#N 345303837 RCCXNNXJJHETRV-VIFPVBQESA-N 299.296 3.625 30 20 CHED CCc1cnc(CN(Cc2ccc(C#N)cc2)C2CC2)s1 346165897 FSAFPAJKBVFFST-UHFFFAOYSA-N 297.427 3.742 30 20 CHED C=CCOc1cccc(CNc2nc(C)ccc2OC)c1 347824278 XASRVJKREVWYEG-UHFFFAOYSA-N 284.359 3.576 30 20 CHED Cc1cc(CNc2cnccc2C#N)ccc1Cl 347873056 FJBUKJBKKGKJKK-UHFFFAOYSA-N 257.724 3.527 30 20 CHED Cc1cnc([C@H](NCc2ccc(CC#N)cc2)C2CC2)s1 347950102 BDTBVMHERIWGIY-MRXNPFEDSA-N 297.427 3.759 30 20 CHED N#Cc1ccc(CN2CCCC3(CCC3)C2)c(Cl)c1 348175729 DRDJRAWEDLEVJX-UHFFFAOYSA-N 274.795 3.978 30 20 CHED C[C@H](NCC(C)(C)CCC#N)c1ccc(-n2cccn2)cc1 348226960 MOXGDUSTTOWVFL-HNNXBMFYSA-N 296.418 3.853 30 20 CHED C=CC[C@@H](CO)N[C@H]1CCc2c(Cl)cc(Cl)cc21 349744448 MQZPPQCDQSXQTE-HZMBPMFUSA-N 286.202 3.507 30 20 CHED CCN(CCC#N)Cc1ccc2c(c1)CCC(C)(C)O2 349861331 OMSITSXXZZYOCQ-UHFFFAOYSA-N 272.392 3.526 30 20 CHED C=CCCOCCCCc1nc(-c2ccoc2C)no1 350427847 DTEAIEJRJOJSAV-UHFFFAOYSA-N 276.336 3.553 30 20 CHED N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(Cl)c1 355095748 BVDKZBOOEHHVCR-DOMZBBRYSA-N 260.768 3.586 30 20 CHED COC1(CNCc2ccc(C#N)c(C)c2)CCC(C)CC1 355416878 RXGAJQIMTQIKIR-UHFFFAOYSA-N 286.419 3.552 30 20 CHED N#Cc1ccc(/C=C\c2nc(CC3=CCCC3)no2)cc1 355440173 LSDRCMYBUAXYBO-KTKRTIGZSA-N 277.327 3.764 30 20 CHED CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(C#N)cc2)c1C 359078238 JGJIBXFVXYKBOV-LLVKDONJSA-N 297.362 3.678 30 20 CHED C=CCC1(C(=O)Nc2cc(F)cc(Cl)c2O)CCC1 359781812 FQFZYOUSNUWDAL-UHFFFAOYSA-N 283.730 3.870 30 20 CHED CCN(CC(C)(C)C)C(=O)c1cccc(SCC#N)c1 361211245 GVDOXKXWJALWOL-UHFFFAOYSA-N 290.432 3.810 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@H](c2ccco2)C1 367750023 PJHKAECJWPHLPP-KBPBESRZSA-N 276.380 3.523 30 20 CHED C=CCCCC(=O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O 372743577 DIYUXCVKYCSXBH-JKSUJKDBSA-N 291.435 3.873 30 20 CHED C[C@H]1CCN(c2cccc(Br)c2C#N)[C@@H]1C 380733294 KOFQBRZJDIDHCV-VHSXEESVSA-N 279.181 3.555 30 20 CHED N#Cc1c(Cl)cccc1N1CCC2(CC1)CC2(F)F 404880993 BKVIYJVNKZXCDW-UHFFFAOYSA-N 282.721 3.837 30 20 CHED C=CCC1(C(=O)Nc2cnc3ccccc3n2)CCCC1 410543371 TVNJRTCNWMVWRQ-UHFFFAOYSA-N 281.359 3.705 30 20 CHED C[C@H](C#N)N(C)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 410883623 OAHGKZSQEXDZLG-MZHSRFCDSA-N 288.435 3.744 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCCc2cc(C#N)ccc21 411002511 PMIIOXMWESGZEW-MAUKXSAKSA-N 282.387 3.520 30 20 CHED C[C@H](CCC#N)N1CCc2[nH]c3ccc(Cl)cc3c2C1 411364453 LNQFNVAEXFMUIJ-LLVKDONJSA-N 287.794 3.872 30 20 CHED COCC[C@H](NCCC1(C#N)CCCCC1)c1ccco1 411520704 WWYLKDBMIBUFMO-HNNXBMFYSA-N 290.407 3.811 30 20 CHED C[C@@H](CCC#N)N1CC=C(c2c(F)cccc2F)CC1 411545848 ROIHIOLXCZILAK-LBPRGKRZSA-N 276.330 3.746 30 20 CHED C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C)C1 412843548 SGCICOWGGQZQCX-BHYGNILZSA-N 271.404 3.726 30 20 CHED CCC[C@@H](C)CC(=O)Nc1cc(C)c(N(C)C)cc1C#N 415692736 MNUDQVGTINYFKD-GFCCVEGCSA-N 287.407 3.698 30 20 CHED CC[C@@H](C)[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 416346753 MEOKYDWQFUHFIE-ZBFHGGJFSA-N 284.403 3.626 30 20 CHED C=CCOCCSCCOc1ccccc1Cl 419397797 VQBPLVARTSILTR-UHFFFAOYSA-N 272.797 3.655 30 20 CHED C=C[C@@H]1CCCCN1Cc1cnc(N(CC)CC)s1 426541862 COFYHKSPZAWEKC-CYBMUJFWSA-N 279.453 3.530 30 20 CHED C=CCN(CC=C)C(=O)N[C@H](C)CC1CCCCC1 426593137 KPUIYMPLHIXZNC-CQSZACIVSA-N 264.413 3.729 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cccc(C)c1C 436291833 QYKKPMFZPWNUDZ-JZXOWHBKSA-N 273.420 3.935 30 20 CHED C=C[C@@H](C)NC(=O)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1 442038931 AQQHWRHZQHKQHT-NOOOWODRSA-N 291.420 3.743 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)C(F)(F)F)C1 442871303 LJVLIKKPDZXZLX-OASPWFOLSA-N 286.272 3.711 30 20 CHED COc1ccc(CN(CC2CCC2)C(C)C)cc1C#N 444772793 OVFBMAXIHPTFCG-UHFFFAOYSA-N 272.392 3.577 30 20 CHED CCC1(c2noc(COc3ccccc3C#N)n2)CCCC1 445780172 HJIRDTIQJOXQDI-UHFFFAOYSA-N 297.358 3.742 30 20 CHED C=CCOc1ccc(OCCCC2CCOCC2)cc1 447786626 NMHIEPYBADSORJ-UHFFFAOYSA-N 276.376 3.837 30 20 CHED C=CC(C)(C)C(=O)NCc1ccccc1C(F)(F)F 448657664 RKNUKTZNXMJMHV-UHFFFAOYSA-N 271.282 3.534 30 20 CHED N#C[C@H]1CC[C@H](Sc2nnc(CCc3ccccc3)o2)C1 450855002 FHRZOVZOIPIKMZ-KBPBESRZSA-N 299.399 3.639 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 451688762 KFVHCHSZNDRIBH-RANZSIQMSA-N 299.414 3.577 30 20 CHED C=CCC1(CNC(=O)N(C)CCC(F)(F)F)CCCC1 451955778 FPWJEDMVJLMBKP-UHFFFAOYSA-N 292.345 3.717 30 20 CHED Cc1ccc(C(=O)NCC(C)(C)CCC#N)c(C(C)C)n1 452099323 GTWXFHJACUITSW-UHFFFAOYSA-N 287.407 3.573 30 20 CHED C=CCSc1ccccc1C(=O)NCC(C)(C)C=C 452772479 FLUZJEZTCOSOFC-UHFFFAOYSA-N 275.417 3.907 30 20 CHED C=CCC[C@@H](NCc1ccnc(C)c1)c1ccco1 453300443 XFDPZOOJQALABP-OAHLLOKOSA-N 256.349 3.780 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1ncsc1C(C)C 455434067 PNAATJLVBVJDAH-UHFFFAOYSA-N 281.425 3.990 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1cnn(CCC)c1C1CC1 455754797 OIVBPRWKDVJYLZ-CYBMUJFWSA-N 290.411 3.647 30 20 CHED C=CCC1(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)CCC1 456349570 SRCAMOFYOBHLOM-LSDHHAIUSA-N 263.425 3.872 30 20 CHED CCCN(CC#N)C(=O)[C@H](CC)C1CCC(C)CC1 460684113 MUFUNKIBXSWSFN-YMAMQOFZSA-N 264.413 3.601 30 20 CHED C=CCN(CC=C)C(=O)CNc1cccc(C2CCC2)c1 461742492 JQZZYVDDDHMBTQ-UHFFFAOYSA-N 284.403 3.567 30 20 CHED C=CCOc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 462667239 ZSGAJXSGLJWBOK-UHFFFAOYSA-N 297.354 3.577 30 20 CHED C=CC[C@H](CC)N[C@H](C)c1ccc(OCCOC)cc1 467412470 IIFFZOHVUJMIDJ-ZBFHGGJFSA-N 277.408 3.717 30 20 CHED C=CCN(CCc1ccccc1)C(=O)[C@@](C)(C=C)CC 467934186 WDPKCCFBMNRHRQ-SFHVURJKSA-N 271.404 3.846 30 20 CHED C=CCCCCCN(C)C(=O)c1ccnn1-c1ccccc1 470969788 UMTCIGNSMOGCAR-UHFFFAOYSA-N 297.402 3.691 30 20 CHED C=CCCCCNC1CCN([C@@H]2CCC[C@H](C)C2)CC1 471610786 NVBBXDIKSFUDLD-FUHWJXTLSA-N 278.484 3.975 30 20 CHED C=CCCCCNC(=O)[C@H](C)Sc1ccccc1 471678868 WDUFNVUTGHDPGO-ZDUSSCGKSA-N 263.406 3.640 30 20 CHED C=CCCCCNC(=O)c1ccc(OC2CCC2)cc1 471708937 JLMRFQZGHVPVBL-UHFFFAOYSA-N 273.376 3.704 30 20 CHED CC(C)(CC1CCCCCC1)NC(=O)c1ccc(C#N)[nH]1 474408320 BMQLTOSUVFAAAS-UHFFFAOYSA-N 287.407 3.755 30 20 CHED C=CC1CCN(C(=O)Cc2ccc(C)cc2Cl)CC1 474683246 DOHFFYLGTNDREG-UHFFFAOYSA-N 277.795 3.616 30 20 CHED C=CCOCCCSCc1cc(F)cc(F)c1 479601009 LJNIQHOBQYEWFE-UHFFFAOYSA-N 258.333 3.791 30 20 CHED C[C@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1Br 481057072 MVKQYWVRIRRESO-MNOVXSKESA-N 293.208 3.551 30 20 CHED C=CCN(CCOC)Cc1cc(C)c(OC(F)F)c(C)c1 483415665 BIQXORWAXCUQKW-UHFFFAOYSA-N 299.361 3.539 30 20 CHED CC#CCCNC(=O)N(CC(C)(C)C)CC(C)(C)C 483430789 XVPBZRHVAMNVKH-UHFFFAOYSA-N 266.429 3.504 30 20 CHED C=CCNC(=O)[C@H](C)SCc1ccc(C2CCC2)cc1 485572296 SEHQPXFAHSUMPJ-ZDUSSCGKSA-N 289.444 3.878 30 20 CHED Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(C#N)s2)c1 487240893 UNWAQGAIGLJXMS-LBPRGKRZSA-N 284.384 3.728 30 20 CHED CC(C)(C)C(=O)CSCc1cccc(F)c1C#N 488260770 CVLUTFXJOQMZDI-UHFFFAOYSA-N 265.353 3.546 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(OCC(C)C)c1 488832298 CKIWLALDQKIODJ-INIZCTEOSA-N 287.403 3.902 30 20 CHED CCCCC[C@@H]1CCCN1C(=O)c1ccc(C#N)s1 489346206 HLOXSNKLPWNBCG-GFCCVEGCSA-N 276.405 3.805 30 20 CHED C=C[C@H]1CCCCN1CCC(=O)Nc1ccc(Cl)cc1 489492010 PSCXCTYJZBTVMN-HNNXBMFYSA-N 292.810 3.709 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(Cl)c(F)c1 489941417 MFBUWZKESFNESA-UHFFFAOYSA-N 269.747 3.811 30 20 CHED C=C(C)CNC(=O)c1cc2c(s1)-c1ccccc1CC2 490070729 XNVBAUNHNZZGPD-UHFFFAOYSA-N 283.396 3.820 30 20 CHED CCC[C@@H](CC1CCCC1)C(=O)N(C)C[C@H](C)C#N 499104807 ZWUOJDMLJBBWEK-HIFRSBDPSA-N 264.413 3.601 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1nc2ccccc2s1 500102770 GLRZKWWYVRNLEX-JTQLQIEISA-N 275.377 3.773 30 20 CHED C=CCCCNC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 503362411 QHUUFXKLCUKKKO-KBPBESRZSA-N 266.429 3.809 30 20 CHED C=CCn1c(-c2ccccc2)nnc1N1CC[C@](C)(CC)C1 508504325 JXPJFKUPUCNABX-SFHVURJKSA-N 296.418 3.758 30 20 CHED C=C(C)CCc1noc([C@H](C)Oc2ccc(F)cc2)n1 508645983 PVERLSVCHNOQLA-NSHDSACASA-N 276.311 3.857 30 20 CHED Cc1ccc(C2(CNC(=O)CC(C)(C)C#N)CCC2)cc1C 509488969 ODSTXOQRDQJBME-UHFFFAOYSA-N 298.430 3.781 30 20 CHED C=CC[C@H](C(=O)Nc1ccc(C)c(O)c1)c1ccccc1 510047402 HNBGMJFZRFQZST-INIZCTEOSA-N 281.355 3.999 30 20 CHED CC1(C)CCCC[C@H]1C(=O)NCC#Cc1cccc(F)c1 513215648 ZUCVDJVQFPLOFS-INIZCTEOSA-N 287.378 3.510 30 20 CHED N#Cc1ccc(SCc2nc(CC3CCCC3)no2)cc1 521078806 DXBBINBDNYZDHX-UHFFFAOYSA-N 299.399 3.966 30 20 CHED C=CC[C@H](C)NC(=O)c1ccc(N(C)CCCC)cc1 522642704 AXKBFKJDSZCQFS-AWEZNQCLSA-N 274.408 3.617 30 20 CHED C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)c(C#N)c1 525662781 MMGCHQFQMMISBF-STQMWFEESA-N 281.359 3.585 30 20 CHED N#CCN(C(=O)c1cc2cscc2s1)C1CCCC1 528629975 QALOHEAGGNUSKG-UHFFFAOYSA-N 290.413 3.871 30 20 CHED CCC(C#N)(CC)C(=O)N[C@H]1CC(C)(C)c2ccccc21 528866107 SLHDDFKIPFDJBV-HNNXBMFYSA-N 284.403 3.855 30 20 CHED CC[C@H](c1ccc(F)cc1F)N(C)C[C@H](C)C#N 533406095 JGBYXMHCDKWTSG-QMTHXVAHSA-N 252.308 3.507 30 20 CHED N#Cc1c(F)cccc1OCc1ccccc1OC(F)F 535121576 QVVUVJFCQLIWHV-UHFFFAOYSA-N 293.244 3.878 30 20 CHED C[C@@H](c1c(F)cccc1F)N(C)CCC(C)(C)C#N 537363385 OVSYUMOHFYBIOW-NSHDSACASA-N 266.335 3.897 30 20 CHED C=CCOc1cccc(CN2CC=C(C(F)(F)F)CC2)c1 538718130 XJETVVJDZQQQQQ-UHFFFAOYSA-N 297.320 3.946 30 20 CHED CC(C)c1ccc(OCCNc2cnccc2C#N)cc1 539844778 OHUWYSJVDLNBCG-UHFFFAOYSA-N 281.359 3.568 30 20 CHED Fc1ccc(C#CCN[C@@H](Cc2ccccc2)C2CC2)cc1 543471222 ZZVGSHAOSCYSSQ-FQEVSTJZSA-N 293.385 3.788 30 20 CHED CC(=O)c1c(C)cc(C)c(CN2CCC(CC#N)CC2)c1C 543809776 CXYUHNWKVLQJFH-UHFFFAOYSA-N 298.430 3.940 30 20 CHED CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC)CC[C@H]1c1ccccc1 552068959 WUHGOSRLCFLWEJ-SUMDDJOVSA-N 298.430 3.969 30 20 CHED C=CCC[C@@H](Nc1cnn(-c2ccccn2)c1)c1ccco1 556895232 LYODBUZOZGJLHR-OAHLLOKOSA-N 294.358 3.980 30 20 CHED C=CCC[C@H](N[C@H](CO)Cc1ccccc1C)c1ccco1 560549082 LYWPFJYIYKBAJE-ROUUACIJSA-N 299.414 3.789 30 20 CHED CN(Cc1cnc(-c2ccccc2)s1)CC(C)(C)C#N 560569480 JUMKHMUSAPGFRX-UHFFFAOYSA-N 285.416 3.792 30 20 CHED C[C@H]1C[C@H](CCN[C@H]2CCc3ccc(C#N)cc32)C[C@@H](C)O1 568451200 MXVNWCUQGQTXCU-YGTYGHESSA-N 298.430 3.729 30 20 CHED N#Cc1cccc(C2(NC3CCC4(CCCO4)CC3)CC2)c1 569634393 UUHOJVHVKDHIGF-UHFFFAOYSA-N 296.414 3.629 30 20 CHED C=C(CC)CN[C@H](COC)c1cccc(Cl)c1 572520567 KGZRZMQKHLBHIR-CQSZACIVSA-N 253.773 3.583 30 20 CHED C[C@@H]1CCC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 572894921 PCZXBBNENSUDEI-CZUORRHYSA-N 254.377 3.716 30 20 CHED N#CC[C@@H]1CC[C@H](NC(=O)Cc2cc3ccccc3s2)C1 572956532 OYKHLSLZTKCZJG-JSGCOSHPSA-N 298.411 3.642 30 20 CHED CC(C)(C)CN(CCC#N)C[C@H]1CCC2(CCCC2)O1 573507543 GUNAIWZVWVUDLP-OAHLLOKOSA-N 278.440 3.740 30 20 CHED C=CCC[C@@H](NCc1ccc(CN)cc1)c1ccco1 579593684 DQEBOFIFQVXOKP-MRXNPFEDSA-N 270.376 3.535 30 20 CHED CCOc1cc(NC(=O)CCCCCC#N)ccc1C 588155943 CMDHUGJVWUOXIW-UHFFFAOYSA-N 274.364 3.806 30 20 CHED C=CCN(C(=O)CSCc1ccncc1)c1ccccc1 590552483 PBBMTCNBPMYSCJ-UHFFFAOYSA-N 298.411 3.534 30 20 CHED CCn1cc(CN(CCCCC(C)(C)C#N)C(C)C)cn1 593083126 YUOWIXVAAPGJJQ-UHFFFAOYSA-N 290.455 3.833 30 20 CHED CC[C@H](CC1CCCC1)C(=O)N(C)c1ccc(C#N)nc1 593275099 YEFCLWSOGCVBKE-CQSZACIVSA-N 285.391 3.523 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 593446580 SQNAWCXXLXHJRF-JKSUJKDBSA-N 299.418 3.524 30 20 CHED CC[C@H](C#N)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 593520711 CDRFEAWCXOXXSJ-SECBINFHSA-N 297.185 3.648 30 20 CHED CC[C@@H](C#N)N(C)C(=O)CC(C)(C)C1CCCCC1 594086910 FNPDOJDHPXQUCI-AWEZNQCLSA-N 264.413 3.744 30 20 CHED CC(C)(NCCc1ccc(C#N)cc1)c1ccccc1F 595510150 JWEYGAYJOYEJKL-UHFFFAOYSA-N 282.362 3.765 30 20 CHED CC(C)(C#N)CCN1CCC2(CCc3ccccc3O2)CC1 595829111 PMOOZPGSWRQAHJ-UHFFFAOYSA-N 298.430 3.786 30 20 CHED Cc1ccoc1CC(=O)N(CC(C)C)c1ccc(C#N)cc1 596983450 ZGSQPMAKVWBTQS-UHFFFAOYSA-N 296.370 3.691 30 20 CHED CC[C@H](C)CCNC(=O)C[C@@H](CC#N)c1ccccc1 597978800 RWTDEOQQJQAOJY-GOEBONIOSA-N 272.392 3.626 30 20 CHED CC[C@@H](CC(=O)N(CC)[C@H](C)C#N)c1ccc(C)cc1 598358992 IJOORWSOJXXHIC-CABCVRRESA-N 272.392 3.639 30 20 CHED CCCC[C@H](CCC)NC(=O)c1ccccc1CC#N 601280330 NTGKOEBGQJIGPM-HNNXBMFYSA-N 272.392 3.841 30 20 CHED CC(C)[C@H](CNC[C@H](C)CCC#N)c1ccccc1 602510806 OKWZZFPMPMQSCW-WBVHZDCISA-N 258.409 3.956 30 20 CHED C[C@H](CCC#N)CN[C@@H]1CCCOc2ccc(F)cc21 602532057 UZBGKMMKHZQJMK-IUODEOHRSA-N 276.355 3.569 30 20 CHED C[C@H](CCC#N)CNCc1ccc(C(C)(F)F)cc1 602675467 LEVUIBOVCSIGAJ-GFCCVEGCSA-N 266.335 3.828 30 20 CHED C[C@H](CCC#N)CNC1(Cc2cccc(Cl)c2)CC1 602679134 CCPYJCXXZHYGBZ-CYBMUJFWSA-N 276.811 3.945 30 20 CHED C[C@@H](CCc1c[nH]c2ccccc12)NCC1(C#N)CCC1 602696777 GGPNMPPXQVSWPU-AWEZNQCLSA-N 281.403 3.772 30 20 CHED C=CCCCCn1cc(CC2(C#N)CCCCC2)nn1 603197040 HZESEZDCNZFGAU-UHFFFAOYSA-N 272.396 3.651 30 20 CHED COc1ccc(CCCNc2nc(C)cc(C)c2C#N)cc1 604123331 KTYDUSUQQHZXMN-UHFFFAOYSA-N 295.386 3.623 30 20 CHED C=CCCOCC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 606340918 VOWSRAJQCFEBLF-OAHLLOKOSA-N 291.391 3.624 30 20 CHED C=CCCCCCN(C)C(=O)C1=Cc2ccccc2OC1 606814872 VJJMVYNLCZZOPE-UHFFFAOYSA-N 285.387 3.667 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 609188364 OKZPKCUNRYZZMX-JYJNAYRXSA-N 276.424 3.601 30 20 CHED Cc1ccc(CCCNc2ccc(C#N)nc2)c(C)c1 610541531 JIOCWCQFDSNLQI-UHFFFAOYSA-N 265.360 3.615 30 20 CHED Cc1cccc2c(N3C[C@H]4CCC[C@@H]4C3)c(C#N)cnc12 610685400 GFBKJANYSXOBSQ-ZIAGYGMSSA-N 277.371 3.651 30 20 CHED C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc(F)cc1C#N 611541139 BUGLAOKBPDCIBD-KOLCDFICSA-N 286.272 3.865 30 20 CHED Cc1cc(CNCC(C)(C)C#N)ccc1Oc1cccnc1 612585210 RJWKAYFIXMWNQX-UHFFFAOYSA-N 295.386 3.822 30 20 CHED CC(C)(C#N)CNCc1ccc(Cl)c(C(F)(F)F)c1 612585360 ZSDSUXSVKCVKET-UHFFFAOYSA-N 290.716 3.998 30 20 CHED CC1(C)CCCN(Cc2cscc2Cl)[C@@H]1C#N 618614182 WGDKYEFHTYOGPO-GFCCVEGCSA-N 268.813 3.916 30 20 CHED C[C@H]1CCc2c(sc3ncnc(NCC4(C#N)CC4)c23)C1 619528147 WMDAAHOKQPXVHM-JTQLQIEISA-N 298.415 3.532 30 20 CHED C=C(C)CN1CCC(NC[C@@H](C)c2ccc(C)cc2)CC1 628212111 KGDVHRJFMYLOAR-QGZVFWFLSA-N 286.463 3.729 30 20 CHED C=CCC1(NCc2cnc(OC)c(Cl)c2)CCCC1 661852315 QNFXUHPSTOCLLS-UHFFFAOYSA-N 280.799 3.722 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)c1ccco1 665667105 VNLWFYVSWLHDFH-ZBFHGGJFSA-N 283.371 3.687 30 20 CHED C=C(C)CN(CC)C(=O)c1ccc(C(F)(F)F)s1 671653634 BUBWUBCDKDRZIY-UHFFFAOYSA-N 277.311 3.805 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(OCC)cn1 674388077 FNSNNPAEDZYPCZ-UHFFFAOYSA-N 282.387 3.669 30 20 CHED C=CCCC[C@H](C)NC(=O)N1c2ccccc2C[C@H]1C 678921064 ATKMGPJPAHPMOF-UONOGXRCSA-N 272.392 3.892 30 20 CHED CC(=O)c1c(C)cc(C)c(CN2CCC[C@](C)(C#N)C2)c1C 680105471 UCNIKZKWEQWEKE-LJQANCHMSA-N 298.430 3.940 30 20 CHED C=CC[C@H](CC)NC(=O)c1cc2cccc(OC)c2o1 684938991 KZBMLAXJWXLJER-LBPRGKRZSA-N 273.332 3.526 30 20 CHED C#CCCOC(=O)c1sc2ccc(F)cc2c1C 727042393 XNJMTWIRTQVFRG-UHFFFAOYSA-N 262.305 3.529 30 20 CHED C=C(C)CNC(=S)Nc1cccc(SC(F)F)c1 727288494 IEINMVGUJCUDPZ-UHFFFAOYSA-N 288.388 3.864 30 20 CHED C=C(Cl)COC(=O)[C@H](C)c1ccc(CC)cc1 727921066 KJTDRXSLWDNUTP-LLVKDONJSA-N 252.741 3.648 30 20 CHED C#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cn1 728799557 ZQQGKXXUFFANIW-UHFFFAOYSA-N 298.345 3.982 30 20 CHED CC(=NNc1ccc(F)cn1)c1ccc(OC(C)C)cc1 731319218 PJTDUPMQRDUDGL-UHFFFAOYSA-N 287.338 3.844 30 20 CHED CCC/C(C)=C/C(=O)N[C@H](C#N)c1ccc(Cl)cc1 733259581 ZUUKCVNKZGFISX-CFRMROPGSA-N 276.767 3.767 30 20 CHED C=CCCCOC(=O)c1ccccc1SCC 735526835 BBSZILJKCJLWBZ-UHFFFAOYSA-N 250.363 3.922 30 20 CHED CC(CCc1ccco1)=NNc1c(F)cccc1F 735615896 ZHDCYZWOMQCWFO-UHFFFAOYSA-N 264.275 3.978 30 20 CHED CSc1cccc(N[C@H](C(=O)O)c2ccc(C#N)cc2)c1 738213263 AKHCNZILRBNFNN-HNNXBMFYSA-N 298.367 3.518 30 20 CHED COc1cccc(O)c1/C=N\CC1(c2cccc(F)c2)CC1 739427599 WAGJTWNENURHCY-JAIQZWGSSA-N 299.345 3.691 30 20 CHED C=CCCOC(=O)c1c(C)c(CC)nc2ccccc12 740183586 JYMYKIVGUZHJJL-UHFFFAOYSA-N 269.344 3.839 30 20 CHED COc1ccc2c(c1)C(=O)/C(=C\c1cccc(C#N)c1)CC2 741847698 KPYAGNTXZMCHAR-YBEGLDIGSA-N 289.334 3.779 30 20 CHED C#CCN(C(=O)CNc1c(C)cccc1C)C1CCCCC1 742057326 ULCMWGZRPOZZPI-UHFFFAOYSA-N 298.430 3.510 30 20 CHED C=CCOc1cccc(/C=C2/Oc3ccccc3C2=O)c1 742437633 VHDRMJZKOLPZLI-SFQUDFHCSA-N 278.307 3.868 30 20 CHED C=C(C)CNC(=S)NCC(CC)(CC)c1ccccc1 743019966 OTLVRLFEBITYCK-UHFFFAOYSA-N 290.476 3.785 30 20 CHED Cc1cccc(NN=C2[C@@H]3CCCO[C@H]3C2(C)C)c1 743416675 ATNFFEUGFWAIQD-DZGCQCFKSA-N 258.365 3.598 30 20 CHED C=C(C)CCOC(=O)c1cnn(-c2ccccc2)c1CC 744304568 YKMXLONCABOLEK-UHFFFAOYSA-N 284.359 3.558 30 20 CHED Oc1ccc(C=NNc2cccc3ccccc23)cc1O 747059876 DAHMRAZLVJKYQS-UHFFFAOYSA-N 278.311 3.697 30 20 CHED CCc1ccc(-c2ccc(C(=O)O[C@@H](C#N)C3CC3)o2)cc1 751177356 UDYDETOGVFMUKO-KRWDZBQOSA-N 295.338 3.968 30 20 CHED C=CCCCC(=O)Oc1ccc(NC(=O)C(C)C)cc1 753727871 POHXWDZAKAAJIP-UHFFFAOYSA-N 275.348 3.543 30 20 CHED CCCCCCCCNC(=O)[C@@H]1COc2ccccc21 754853136 FAEAYKVRXCRXML-OAHLLOKOSA-N 275.392 3.639 30 20 CHED CCCCCCCCNC(=O)[C@@H]1Cc2ccccc21 754853328 FIFHCDIJFCYHSG-MRXNPFEDSA-N 259.393 3.803 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 755468019 FYAGIGBTKKKJBD-YOEHRIQHSA-N 299.418 3.715 30 20 CHED CCCCC=NNc1ccc(Cl)cc1[N+](=O)[O-] 755651606 VWLHBBMTUVNFHC-UHFFFAOYSA-N 255.705 3.836 30 20 CHED C(CCc1ccccc1)=NNc1cnc2ccccc2n1 755683923 VWPVPTOVCHGLGP-UHFFFAOYSA-N 276.343 3.660 30 20 CHED Cc1ccnc(NN=C2CCCC[C@@H]2N2CCCCC2)c1 755905817 KEJBONIHIJQSGQ-INIZCTEOSA-N 286.423 3.586 30 20 CHED CCC(=NN=c1cc[nH]cc1Cl)c1ccc(F)cc1 756839193 PLJXAAHCQACABL-UHFFFAOYSA-N 277.730 3.522 30 20 CHED CCC(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)ccc1F 756882324 VDANFLSBYLRMGI-UHFFFAOYSA-N 296.301 3.542 30 20 CHED Cc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2O)s1 757477019 XBGMMMUNEFPUCL-PLNGDYQASA-N 280.295 3.936 30 20 CHED C(=NNC1CCOCC1)c1cccc(Oc2ccccc2)c1 757589157 DVOPDGKZCGNZQN-UHFFFAOYSA-N 296.370 3.581 30 20 CHED Cc1ccccc1C=NNc1cncc(Br)c1 758130493 ROKBBSOXMKRFMG-UHFFFAOYSA-N 290.164 3.599 30 20 CHED O=C1/C(=C/c2nc(Cl)cs2)CCc2cc(O)ccc21 759082635 GHULXJDJGYSDCX-RMKNXTFCSA-N 291.759 3.715 30 20 CHED COc1cc(F)cc(NN=C(C)c2cc(C)ccc2O)c1 759209597 GKXZCYCNRKDCIG-UHFFFAOYSA-N 288.322 3.684 30 20 CHED Cc1cc(C)c(C=NNc2ccc(Cl)c(F)c2)[nH]1 760259866 JJWPABXRDCNYKY-UHFFFAOYSA-N 265.719 3.870 30 20 CHED CC#CCCOC(=O)CCCc1ncc(-c2ccccc2)o1 760272984 DFQLAZDFDJOIPS-UHFFFAOYSA-N 297.354 3.621 30 20 CHED C=CCCC(=O)COC(=O)C[C@H](CC)c1ccc(C)cc1 761404740 VWQSFRGFHZWCCK-HNNXBMFYSA-N 288.387 3.957 30 20 CHED C#CCN(C(=O)/C=C\c1ccccc1O[C@@H](C)CC)C1CC1 763794983 IUCLEBHCFLZBHK-WVUXNXBLSA-N 297.398 3.501 30 20 CHED COc1ccsc1/C=C/C(=O)c1cc(C)ccc1O 764441694 IYKJGIXUCGLIIS-AATRIKPKSA-N 274.341 3.667 30 20 CHED N#Cc1ccc(OC(=O)/C=C/c2ccc3[nH]ccc3c2)cc1 765913308 WBDLWELSNISKRS-XBXARRHUSA-N 288.306 3.658 30 20 CHED CC(C)(C#N)COC(=O)c1cccc2ccsc12 768009337 HDHLUIFMPYNHLX-UHFFFAOYSA-N 259.330 3.608 30 20 CHED C#Cc1ccc(C(=O)N2CCC[C@H]2CCC2CCCC2)cn1 768331088 YHUXWJPQTJFPMC-SFHVURJKSA-N 296.414 3.638 30 20 CHED CCCOc1ccc2[nH]cc(C=NNc3ccccn3)c2c1 768351800 KCAJAQXVCFVNHQ-UHFFFAOYSA-N 294.358 3.798 30 20 CHED C=CCCOC(=O)c1cn(CCCC#N)c2ccccc12 769545758 BMFYMECKZANPHY-UHFFFAOYSA-N 282.343 3.678 30 20 CHED C#Cc1cccc(NC(=S)N[C@@H]2CC23CCCCC3)c1 770576964 AOEKAYKWJSWCHL-OAHLLOKOSA-N 284.428 3.677 30 20 CHED CCCCCCCCCC(=O)N[C@@]1(C)CCCOC1 771829227 JLICPSYVKUCLIV-INIZCTEOSA-N 269.429 3.812 30 20 CHED Clc1cscc1C=NOCc1ccccc1 771877582 TYQIQERKFKREIX-UHFFFAOYSA-N 251.738 3.952 30 20 CHED CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1ccc(OCC#N)cc1 772959002 MOWOTYTVIKBWMJ-YXJHDRRASA-N 286.419 3.893 30 20 CHED C[C@H](O)c1ncc(C=NNc2cccc3ccccc23)s1 773053243 DETJUCVFSOGSPC-NSHDSACASA-N 297.383 3.796 30 20 CHED COc1ccc2c(c1)O/C(=C\c1ccc(C)c(OC)c1)C2=O 773140503 RLVBQTOEXJWRFO-MFOYZWKCSA-N 296.322 3.628 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 773298010 AQERBJWQJGCTFI-HZPDHXFCSA-N 263.425 3.901 30 20 CHED C#CCCCCC(=O)OCc1cccc(F)c1Cl 773630919 NAHQKRVBHABOJB-UHFFFAOYSA-N 268.715 3.716 30 20 CHED C#CCCCCC(=O)Nc1ccc2cn(C(C)C)nc2c1 774312904 GCLOGHJXIBTAAX-UHFFFAOYSA-N 283.375 3.749 30 20 CHED CC(=NNc1cccc(F)c1)C1CCSCC1 777432427 CZBXLSYUUAVPOH-UHFFFAOYSA-N 252.358 3.757 30 20 CHED C=C(C)CNC(=O)/C=C/c1ccccc1O[C@H](C)CC 777835297 VFOJXTDOIFBUBF-PLSXKVAHSA-N 273.376 3.569 30 20 CHED N#Cc1ccc(C(=O)OC/C(Cl)=C\Cl)cc1Cl 778535203 MPKOUXBSMPFZMD-RUDMXATFSA-N 290.533 3.687 30 20 CHED Fc1cccc2[nH]cc(C=NNc3ccc4[nH]ncc4c3)c12 779817305 PJPCTSPASOIVJZ-UHFFFAOYSA-N 293.305 3.629 30 20 CHED CCCCNN=Cc1c(Cl)ccc2cccnc12 781122999 PMDQHDVVLBSULM-UHFFFAOYSA-N 261.756 3.612 30 20 CHED C=CCNc1nc(C(=O)OCCCC(C)(C)C)cs1 781142436 XSQLMPUWXWKDPM-UHFFFAOYSA-N 282.409 3.724 30 20 CHED COc1ccc(CNN=C2CC(c3cccc(F)c3)C2)cc1 781589144 DQQJLBHFNICBQC-UHFFFAOYSA-N 298.361 3.858 30 20 CHED CC1(C)CCC[C@@H](C=NN2Cc3ccccc3C2=O)C1 781597544 LSVKLPVWMDIWDR-CYBMUJFWSA-N 270.376 3.845 30 20 CHED C[C@H](CC=NN1Cc2ccccc2C1=O)c1ccccc1 781598119 ZGKMBFXDLFSLNK-CQSZACIVSA-N 278.355 3.822 30 20 CHED CC1(C=Nn2c(S)nnc2-c2cccc(Cl)c2)CC1 782159118 OPODQGHZAANICT-UHFFFAOYSA-N 292.795 3.521 30 20 CHED C=C(C)CNC(=S)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 782445368 MRGNQOYOPXKCOC-ZBFHGGJFSA-N 288.460 3.623 30 20 CHED N#C[C@@H](NC(=O)CCCc1ccsc1)C1CCCCC1 783510455 ZUDXBPHUDWYVEK-OAHLLOKOSA-N 290.432 3.659 30 20 CHED COc1ccc(NN=C[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 783856746 JJEIWSLNPYOQIE-RYUDHWBXSA-N 291.351 3.827 30 20 CHED CCCCCCCCCN(C)C(=O)[C@@H]1CO[C@@H](C)C1 784072911 YFBLWCVOHGPBTA-GJZGRUSLSA-N 269.429 3.620 30 20 CHED CCNC(=O)Nc1cccc(N=Cc2ccccc2O)c1C 788318974 RSCSJPCRZWUJAM-UHFFFAOYSA-N 297.358 3.593 30 20 CHED C#CCC1(C(=O)Nc2ccc3nccnc3c2)CCCCC1 788435203 VHJKJUZKSGQLJY-UHFFFAOYSA-N 293.370 3.542 30 20 CHED CC(=NN[C@H]1CCOC(C)(C)C1)C1CCC(F)(F)CC1 788726930 XNOGLDAJOGODRN-ZDUSSCGKSA-N 288.382 3.735 30 20 CHED Clc1cccc(Cl)c1C=NNCCc1ccccn1 789113096 OQMAXAPPZHUFAF-UHFFFAOYSA-N 294.185 3.555 30 20 CHED C#CCn1ccc(CN(CC)CC[C@H]2CCC[C@H](C)C2)n1 789328506 ARLQQSUUOFPZCC-DLBZAZTESA-N 287.451 3.555 30 20 CHED COc1cc(C)ccc1C(C)=NNc1ncccc1C 790194333 YVTZOVACIISJSV-UHFFFAOYSA-N 269.348 3.543 30 20 CHED C=CCN(C[C@H](O)Cc1ccc2ccccc2c1)C(C)C 791450396 YBBJEZGLTBIZON-LJQANCHMSA-N 283.415 3.640 30 20 CHED CC(=NN[C@H](C)C(C)(C)C)c1coc(C(C)C)n1 793112115 POCZXQGKXFNIPF-LLVKDONJSA-N 251.374 3.546 30 20 CHED C=CCCCCC[C@@H](C)N[C@H](C)c1nc(C)no1 793586165 GEVQUFMUVKHIBZ-VXGBXAGGSA-N 251.374 3.554 30 20 CHED C[C@H]1COCCC1=NNc1nc(-c2ccccc2)cs1 794484681 RJBICCXYEARACU-NSHDSACASA-N 287.388 3.634 30 20 CHED Cc1cnn(C)c1/C=C/C(=O)c1ccc2c(c1)CCCC2 794696290 DJWOCWDXOBTYHW-MDZDMXLPSA-N 280.371 3.503 30 20 CHED C[C@H](NC[C@H]1CCC(F)(F)C1)c1ccc(OCC#N)cc1 797585648 KKKVEQQCIDNPGF-STQMWFEESA-N 294.345 3.675 30 20 CHED C#CCCCCC(=O)N(C)c1ccc(Cl)cc1F 798218757 PUDCUVDMOZDCBC-UHFFFAOYSA-N 267.731 3.636 30 20 CHED COc1ccccc1CON=Cc1cccc2[nH]ccc12 799117585 LCIBZBPZSHXWKZ-UHFFFAOYSA-N 280.327 3.727 30 20 CHED CCc1cc(C#N)ccc1OC(=O)c1coc(C2CCC2)n1 799443839 BFXYOCLYMQLRSJ-UHFFFAOYSA-N 296.326 3.595 30 20 CHED CCc1cccc(C)c1NN=C(C)CCn1cccn1 799494774 MINGKHNCKLUZQT-UHFFFAOYSA-N 270.380 3.632 30 20 CHED COc1cccc(C=NNc2cc(F)c(F)cc2F)c1F 799880452 PPXDCNIZKQWINM-UHFFFAOYSA-N 298.239 3.698 30 20 CHED CCc1cc(C#N)ccc1OC(=O)[C@H]1CCCC(F)(F)C1 800005375 LIKYWKMMLCTKRD-ZDUSSCGKSA-N 293.313 3.852 30 20 CHED CCCC[C@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 800382378 DRIYMYPXQMLYPC-NWDGAFQWSA-N 269.348 3.565 30 20 CHED Cc1nc(Cl)cc(NN=C[C@H](C)C(C)(C)C)n1 800812428 DAMFNPWINGTEPI-QMMMGPOBSA-N 254.765 3.518 30 20 CHED CC#CC(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 801145149 JLEKAZUOESKINM-UHFFFAOYSA-N 289.806 3.681 30 20 CHED Cc1cc(C(=O)OCc2ccc(C#N)cc2F)c(C)s1 804599040 UEOCAALUDLYWGA-UHFFFAOYSA-N 289.331 3.733 30 20 CHED Cc1c(C(=O)O[C@@H](C#N)C2CC2)sc2cc(F)ccc12 805890718 WOJSUVYMEGMFOQ-LBPRGKRZSA-N 289.331 3.808 30 20 CHED Cc1ccc2c(c1)CC[C@H]2NCC(C)(C)CCC#N 806177870 LLKHNBHMUXSNMY-MRXNPFEDSA-N 256.393 3.902 30 20 CHED C[C@@H]1/C(=C\c2ccc(O)c(F)c2)C(=O)c2ccccc21 809156155 JUNDUAWFGSOKTP-CEITULEQSA-N 268.287 3.915 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCC=CO1 809705544 VEDPGQRPAWIMCJ-QGZVFWFLSA-N 289.423 3.535 30 20 CHED CCc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)o1 811692603 XSGDJIDJTDENGR-VURMDHGXSA-N 269.275 3.749 30 20 CHED Cc1cccc(C(C)C)c1NN=Cc1cccc(C(N)=O)c1 812232394 GMXNDOMAMDTANH-UHFFFAOYSA-N 295.386 3.663 30 20 CHED Oc1cccc2c1CCC2=NNc1ccc(Cl)cc1 812370289 DJCBPOMEMJGDOG-UHFFFAOYSA-N 272.735 3.808 30 20 CHED N#CCCCC(=O)OCc1ccc(SC(F)F)cc1 812616716 MSZSRZLPJANZMF-UHFFFAOYSA-N 285.315 3.738 30 20 CHED C#Cc1ccccc1CC(=O)N(C(C)C)C1CCCCC1 812959156 UOOZDSXZIKCKPA-UHFFFAOYSA-N 283.415 3.780 30 20 CHED C#C[C@@H](NC(=O)N1CC2(CCC2)[C@H]1c1ccccc1)C(C)C 814389421 HSCIUOMEFNVPSE-IAGOWNOFSA-N 296.414 3.581 30 20 CHED CCC(=NNc1c(F)cccc1F)c1cccc(N)c1 814852904 UGRXWZFMOJUTML-UHFFFAOYSA-N 275.302 3.773 30 20 CHED CC1(C)OCCC1=NOc1ccccc1C(F)(F)F 814887430 IEOIOJCGOKQCLP-UHFFFAOYSA-N 273.254 3.639 30 20 CHED CC(Cc1ccc(Br)cc1)=NOCC1CC1 814940879 DTAAPANBEYKWTH-UHFFFAOYSA-N 282.181 3.794 30 20 CHED Cc1cc(C)c([C@H](C)NCc2cc(C#N)ccc2F)c(O)c1 815595363 OVOZTLFQXQZTTC-ZDUSSCGKSA-N 298.361 3.871 30 20 CHED C=CCC(F)(F)C(=O)N(C)[C@H](CC)Cc1ccccc1 815697295 VJTHJUIGBFQAQK-CQSZACIVSA-N 281.346 3.678 30 20 CHED C=CCC(F)(F)C(=O)NC(C)(C)c1ccccc1C 818332530 PDHBOUSDPRESRN-UHFFFAOYSA-N 267.319 3.558 30 20 CHED C#CCCCCN[C@@H](C)c1ccc(OC)cc1Cl 818335117 SABNWFGHZZTLMH-LBPRGKRZSA-N 265.784 3.803 30 20 CHED C#C[C@H](NC(=O)N(CCC(C)C)C1CC1)c1ccccc1 820606364 XBOAELDUMUEHPK-KRWDZBQOSA-N 284.403 3.581 30 20 CHED C=CCC1(NC(=O)[C@H](C)c2cccc(O)c2)CCCCC1 821797716 YHPLYPZYYIZHOK-CQSZACIVSA-N 287.403 3.891 30 20 CHED CC[C@H](NC(=O)C(C#N)(CC)CC)c1ccccc1OC 828118089 QBEQVSPHWQFEPW-AWEZNQCLSA-N 288.391 3.592 30 20 CHED C=CCCC[C@H](C)NC(=O)CC[C@@H]1CC1(Cl)Cl 831732492 KOELVRAHTHWIQM-WDEREUQCSA-N 278.223 3.821 30 20 CHED C=CCC(F)(F)C(=O)N1Cc2cccc(C)c2CC1(C)C 834264768 PZHUHZFKLKSXKY-UHFFFAOYSA-N 293.357 3.870 30 20 CHED Cn1ncc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)c1Cl 834434338 HDGUSTJLDCJQKN-QENILXLESA-N 298.773 3.773 30 20 CHED CCOc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1 834875330 WXKOWACKCYZRHR-UITAMQMPSA-N 294.350 3.916 30 20 CHED C[C@H]1CC(=NNc2c(F)cccc2Cl)C[C@@H](C)O1 834970622 YTFZHZZWVOTQEI-DTORHVGOSA-N 270.735 3.834 30 20 CHED CCC[C@H](C=NNc1ccc(C#N)cc1C(F)(F)F)OC 834976087 HQJKWGRHPIMZDU-LLVKDONJSA-N 299.296 3.790 30 20 CHED CC(C)(C#N)[C@@H]1CCCC1=NNCc1ccccc1F 835011400 QOKFZQIMZARODO-CYBMUJFWSA-N 273.355 3.621 30 20 CHED Cc1ccc(C(=O)OCC2(C#N)CCCC2)c(C2CC2)n1 835282618 GTJWIYVEQXIJCJ-UHFFFAOYSA-N 284.359 3.508 30 20 CHED C#CCCCCNC(=O)C(C)(C)Cc1ccc(Cl)cc1 837465706 RAJLLBZTCMMKPR-UHFFFAOYSA-N 291.822 3.828 30 20 CHED C=CC(C)(C)C(=O)OCc1coc(-c2cccs2)n1 837863122 GSTWQJJRFDMVBL-UHFFFAOYSA-N 277.345 3.659 30 20 CHED Cc1ccc(CC(=O)O[C@H]2CCC[C@H](C#N)C2)c(Cl)c1 839058744 LUMKOZMDHKCBSO-JSGCOSHPSA-N 291.778 3.817 30 20 CHED CO[C@H](C=NNc1nccc2sccc12)CC(C)C 841618058 DCRHPQSVBHZTNG-NSHDSACASA-N 277.393 3.755 30 20 CHED CC(C)Cn1nccc1/C=C1/Cc2c(F)cccc2C1=O 843268665 JUUDUTWRKPNJCW-WQLSENKSSA-N 284.334 3.501 30 20 CHED CSc1cc(F)ccc1NC(=O)C#CC(C)(C)C 844096808 RGLLSDNJHSKNOB-UHFFFAOYSA-N 265.353 3.536 30 20 CHED C=CCC[C@H](C)OC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F 845315819 OBJIIYRDABBFSS-SDDRHHMPSA-N 294.313 3.632 30 20 CHED C=CC[C@@H](OC(=O)C[C@H](C)n1ccnc1)c1ccccc1 845520518 ALEFBUZNDRQQAV-GOEBONIOSA-N 284.359 3.695 30 20 CHED C=CCN(CC(=O)O)Cc1ccc(C2CCCCC2)cc1 846263483 NFHWBTZOEHLTDQ-UHFFFAOYSA-N 287.403 3.807 30 20 CHED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC2(CCCC2)C1 846898356 XJMFSDMWWCSDGA-HNNXBMFYSA-N 296.414 3.530 30 20 CHED O=C1/C(=C\c2ccnn2CC2CC2)Cc2cc(Cl)ccc21 849244724 IZQIVDBIJJRGEE-LCYFTJDESA-N 298.773 3.769 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1cnc(-c2ccccc2)nc1 849762523 LQHHGCUGMMPSMK-SFHVURJKSA-N 296.370 3.789 30 20 CHED C=CC(C)(C)CCOC(=O)[C@H](c1cccnc1)C(C)C 851300322 QXZQDWKVEYSKGR-HNNXBMFYSA-N 275.392 3.967 30 20 CHED CC(C)n1nccc1/C=C/C(=O)c1ccc(C(F)F)nc1 853009643 MJTKINIVZBXLGH-GQCTYLIASA-N 291.301 3.693 30 20 CHED FC(F)(F)[C@H]1CCC[C@H](C=NOCc2cccnc2)C1 853323164 RQCGVQPPQRAGGP-AAEUAGOBSA-N 286.297 3.953 30 20 CHED C[C@H](CC(=O)OCC(C)(C)CCC#N)c1ccco1 860735239 FBYSFCBDNIPRBY-GFCCVEGCSA-N 263.337 3.646 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2ccc(F)c(Cl)c2)C1 860825168 CHSPEOUEYLXASO-VXGBXAGGSA-N 295.741 3.647 30 20 CHED C=CCOCSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 865362510 XLTZEVCTXHVLKS-YPMHNXCESA-N 281.425 3.590 30 20 CHED CSCCCCCCN[C@@H](C)CC1(C#N)CCOCC1 877304243 WVOJHSKKDXPEMD-HNNXBMFYSA-N 298.496 3.598 30 20 CHED C#Cc1ccc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)cc1 877847618 AZKKGMVAWLOUJG-INIZCTEOSA-N 296.757 3.518 30 20 CHED C=C1CCC(C(=O)N[C@@H](c2ccccc2)C(F)F)CC1 891159792 PUTDGFGXBKWCOY-AWEZNQCLSA-N 279.330 3.855 30 20 CHED N#Cc1ccc(F)c(NC(=O)CCC2CCCC2)c1 891446509 NYFGDGQYQYCZMH-UHFFFAOYSA-N 260.312 3.606 30 20 CHED Cc1cc(C)c2c(c1)C(=O)/C(=C/c1nc(C)c(C)[nH]1)CCO2 901486083 WIHMPSURTKFRRI-NTEUORMPSA-N 296.370 3.692 30 20 CHED CCCOc1cccc(/C=C2\C(=O)c3nccn3[C@H]2C)c1 901560993 PGSJEFXEARGMLG-CMHHUMAZSA-N 282.343 3.513 30 20 CHED CCCOc1ccc([C@@H](C)NCC2(C#N)CCC2)cc1 903032160 QXCPFAWDGUDHQV-CQSZACIVSA-N 272.392 3.820 30 20 CHED CCCCCCCC[C@@H](N)c1nc(-c2cncs2)no1 904690659 AOZWFRXDOAVMNV-LLVKDONJSA-N 294.424 3.944 30 20 CHED C=CCC(C)(C)c1noc([C@@H](C)OCc2ccncc2)n1 906120635 UNBZRGUFUBIASR-GFCCVEGCSA-N 287.363 3.596 30 20 CHED CCCn1nc(C)c(-c2cccc(F)c2C#N)c1C 906177405 SKJOGWBPZJZFSJ-UHFFFAOYSA-N 257.312 3.588 30 20 CHED CCc1ccc(C=NNCc2ccc(F)c(F)c2)cc1 915975255 PNRBKULMJZWXLS-UHFFFAOYSA-N 274.314 3.651 30 20 CHED C=CCN(C(=O)Nc1ccc(C)c(OC)c1C)C(C)C 916707977 DLVIXLIJOHWUSP-UHFFFAOYSA-N 276.380 3.740 30 20 CHED C#CCNC(=O)Nc1cccc(COCCCCCC)c1 920874472 KBXOYZUXRKGODI-UHFFFAOYSA-N 288.391 3.538 30 20 CHED Cc1ccc2c(c1)C/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 921264717 XTPBWTXNHBKPQC-RIYZIHGNSA-N 279.295 3.726 30 20 CHED CCc1ncc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 929756637 IIOHRJFGDOELRS-SJORKVTESA-N 295.386 3.509 30 20 CHED C=C[C@H](CC)CC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1 934849020 JLWZHOWDGMEWJD-CQSZACIVSA-N 297.402 3.637 30 20 CHED C#CCC1(C(=O)N2CC(c3ccc(F)cc3)C2)CCCCC1 1117761714 CYQAZDVWJJRQNL-UHFFFAOYSA-N 299.389 3.725 30 20 CHED N#CC1(CCN2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 1117992939 IXOUXBZJTDHHBO-UHFFFAOYSA-N 299.374 3.775 30 20 CHED CCCC(C)(C)C(=O)Nc1ccc(Cl)c(C#N)c1 1124581828 OWSLQKWJNGRTOG-UHFFFAOYSA-N 264.756 3.976 30 20 CHED N#Cc1ccc(C(=O)Nc2cc(F)ccc2Cl)c(F)c1 1125823142 GKKPXRGHYYHFDS-UHFFFAOYSA-N 292.672 3.742 30 20 CHED N#Cc1cc(Cl)ccc1NC(=O)CCCc1cccnc1 1130937002 SYPBCNCFYKCMIT-UHFFFAOYSA-N 299.761 3.568 30 20 CHED N#Cc1cnc(Sc2ccccc2)c(Br)c1 1161989053 HISKZGVQPNNTBN-UHFFFAOYSA-N 291.173 3.867 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)c2cccc3ccccc23)n1 1164318155 NFPNRKIWVSTJFE-GFCCVEGCSA-N 288.354 3.983 30 20 CHED C[C@@H]1CC[C@@H](CNc2nc(C#N)c(Cl)s2)C1 1186341771 AQOFITZNNFUZKL-HTQZYQBOSA-N 255.774 3.516 30 20 CHED Cc1ccc(F)cc1OCc1cn2ccccc2c1C#N 1189737165 CHSBJQCDHAGZKV-UHFFFAOYSA-N 280.302 3.838 30 20 CHED CC(C)C[C@@]1(C)CCCN1Cc1cccc(C#N)c1 1194534163 PFPYASJYPCJAAP-QGZVFWFLSA-N 256.393 3.959 30 20 CHED Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCCC[C@@H]2C)c1 1206298534 WVDYDBWHWMRUCD-DZGCQCFKSA-N 285.391 3.815 30 20 CHED Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCCC1(C)C 1215786692 SXSISYAVUHKTDL-CQSZACIVSA-N 285.391 3.815 30 20 CHED CCC(CC)[C@@H]1C[C@@H](Nc2cccc(CC#N)n2)CCO1 1255103147 DARYJGZNKGRUKH-HOTGVXAUSA-N 287.407 3.543 30 20 CHED Cc1cc(Cl)cc(C)c1NC(=O)N[C@@H]1CC[C@H](C#N)C1 1261444323 SRCXJGPHCBXBIZ-WCQYABFASA-N 291.782 3.771 30 20 CHED CC[C@@H](C#N)N(CC)C(=O)[C@H]1CCc2c(Cl)cccc21 1262813086 OJZXEMOUSBEKMD-FZMZJTMJSA-N 290.794 3.520 30 20 CHED Cc1c(CNC(=O)c2ccsc2C#N)oc2ccccc12 1265172231 RYZAWIHOENHHQE-UHFFFAOYSA-N 296.351 3.604 30 20 CHED CCC[C@H](CC)C(=O)OCc1ccc(CC#N)cc1 1266639749 HZWPRJZGAUICDB-HNNXBMFYSA-N 259.349 3.622 30 20 CHED CCC(CC)[C@H](C)C(=O)Nc1cc(C)cc(C#N)c1 1275796850 KAUBKAFKKCVTJJ-LBPRGKRZSA-N 258.365 3.878 30 20 CHED Cc1cc(F)cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 1276789140 LJBYPURCPLPYNE-CYBMUJFWSA-N 296.345 3.839 30 20 CHED C[C@@H](CC#N)N(C)C(=O)c1ccccc1-c1ccccc1 1289808806 HHTOAPNNDBIZKS-AWEZNQCLSA-N 278.355 3.728 30 20 CHED Cc1ccc(CSc2cccnc2C#N)c(C)c1 1307342824 QGTPPGUQMMCKIN-UHFFFAOYSA-N 254.358 3.862 30 20 CHED C[C@@H]1CCC[C@H](CN2CCN(c3ccccc3C#N)CC2)C1 1307446327 PNZVMKUFCROPBR-SJORKVTESA-N 297.446 3.507 30 20 CHED CC[C@@H](C)[C@H]1CCCCN1Cc1ccc(C#N)cc1OC 1307485556 KAZSHFKCNYLFDZ-RHSMWYFYSA-N 286.419 3.967 30 20 CHED N#Cc1cc(Cl)ncc1NC(=O)CCCc1ccccc1 1321619280 PMOCQVPMSWEZEE-UHFFFAOYSA-N 299.761 3.568 30 20 CHED Cc1ccc(C)c(Cc2nnc(-c3ccc(C#N)cc3)o2)c1 1324101086 OOQVRUILACTEDT-UHFFFAOYSA-N 289.338 3.816 30 20 CHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1c1cccc(CC#N)n1 1326501088 CHOYMAHFOKRUSM-VKJFTORMSA-N 291.398 3.919 30 20 CHED C=CCCCc1nnc(-c2ccc(Cl)cc2OC)o1 1326919762 NYRZUPCFFANDLT-UHFFFAOYSA-N 278.739 3.907 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(F)c(C#N)c1 1360272638 WSBALBPYAOVJAD-QWHCGFSZSA-N 288.366 3.644 30 20 CHED CC[C@@H](CSC)N(C)CCC1(C#N)CCCCC1 1459824711 DWKYEDYUOFSMPE-AWEZNQCLSA-N 268.470 3.924 30 20 CHED N#Cc1ccc(CNc2nc(Cl)cs2)cc1Cl 1472767543 JPVIKRRUUJEUJJ-UHFFFAOYSA-N 284.171 3.934 30 20 CHED COc1ccc(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1C#N 1535536895 QARNCEPYCPWIRX-RWMBFGLXSA-N 286.375 3.578 30 20 CHED N#Cc1cnnc(N2Cc3ccccc3-c3ccccc3C2)c1 1559089884 BOOTUADOXUIRCY-UHFFFAOYSA-N 298.349 3.535 30 20 CHED CCOc1ccc(C#N)cc1NCc1ccncc1Cl 1560497338 LQZUXIZVPWXQLN-UHFFFAOYSA-N 287.750 3.617 30 20 CHED Cc1ccc([C@H]2C[C@H](C)N(Cc3cccc(C#N)n3)C2)cc1 1560793530 RBJIDBQHDGSYSE-RDJZCZTQSA-N 291.398 3.640 30 20 CHED C=C(C)c1cccc(NC(=O)c2coc(/C=C\C(=O)O)c2)c1 1588444875 WXGPYXGFUPENPD-SREVYHEPSA-N 297.310 3.663 30 20 CHED Cc1cc(C)c(C(=O)/C=C/c2cc(C(=O)O)n(C)c2)cc1C 1600147363 QWIVRUHXGOEWFG-AATRIKPKSA-N 297.354 3.545 30 20 CHED Cc1ccc(/C=C/C(=O)c2cc(C(=O)O)cs2)cc1F 1607768012 FKPNLZZSYKMGAF-SNAWJCMRSA-N 290.315 3.790 30 20 CHED Cc1cc(CN(CCC(C)C)C2CC2)ccc1C#N 1651803335 NHEUTPKDTBCOIG-UHFFFAOYSA-N 256.393 3.877 30 20 CHED Cc1cccc(C)c1CN(C)Cc1ccc(OCC#N)cc1 1654925738 HVCHWDSLVJAXEK-UHFFFAOYSA-N 294.398 3.838 30 20 CHED Cc1nc(C#N)cc(N[C@H]2CCC[C@H]2CCC(C)C)n1 1655091600 CBJJMKKGGJNCNX-ZFWWWQNUSA-N 272.396 3.674 30 20 CHED Cc1ccnc(N[C@H]2CCC(C)(C)C[C@H]2C)c1C#N 1655219670 MFSYFIVUWFDTCY-OCCSQVGLSA-N 257.381 3.888 30 20 CHED CCCCN1CCc2ccc(Nc3cccc(C#N)n3)cc21 1655270145 ALTZHPXHBHEVHO-UHFFFAOYSA-N 292.386 3.859 30 20 CHED CC(C)C1(C=NNc2ccc(Cl)c(C(=O)O)c2)CC1 1776034489 JHZOTYPRHORLRY-UHFFFAOYSA-N 280.755 3.872 30 20 CHED C=CCC[C@@H](NCc1csc(Cl)c1Cl)C(=O)O 1776167770 IJWQHZQPINAHEE-MRVPVSSYSA-N 294.203 3.564 30 20 CHED C=CCCCN(CC)[C@@H](C(=O)O)c1ccc(F)cc1C 1776174077 OLSKWXQKQUZSQQ-OAHLLOKOSA-N 279.355 3.548 30 20 CHED C=CCc1cccc(CN2CCC[C@@]3(C(=O)O)CCC[C@@H]23)c1 1776187249 YVEKPHDKXWAJHX-MJGOQNOKSA-N 299.414 3.634 30 20 CHED C=CCc1ccccc1CN1CCC[C@@]2(C(=O)O)CCC[C@@H]12 1776187878 IUXFRIIJKJSSAV-MJGOQNOKSA-N 299.414 3.634 30 20 CHED CCCCCCCC[C@H](C)C(=O)NCC1(CC(=O)O)CC1 1776786208 YLDATVWJEBSNTL-AWEZNQCLSA-N 297.439 3.744 30 20 CHED Cc1ccc(C(=O)O)cc1C(=O)/C=C/c1ccsc1 1777436439 YEDGQDGXZJQCEV-HWKANZROSA-N 272.325 3.651 30 20 CHED CSc1ccccc1C(=O)OCc1ccc(C#N)cc1 3524401 JTZHXVLKZRDDPW-UHFFFAOYSA-N 283.352 3.637 30 20 CHED C[C@@H](C#N)Sc1nc(C(F)(F)F)nc2ccccc12 7160884 LFZDHCQLRXIRIP-ZETCQYMHSA-N 283.278 3.653 30 20 CHED C=C(C)COc1cccc(NC(=O)c2cc[nH]c2C)c1 176133393 BLKGSFUWFVTIDR-UHFFFAOYSA-N 270.332 3.530 30 20 CHED CC[C@H](Nc1cccc(OCCCC#N)c1)c1nccn1C 179822377 XLMSGQYJEGCCGQ-INIZCTEOSA-N 298.390 3.666 30 20 CHED Cc1ccc(SCc2ccc(F)cc2C#N)nc1 102972224 OFYZVRUNFKNXIT-UHFFFAOYSA-N 258.321 3.693 30 20 CHED Cc1ccc(CNc2ccc(C#N)cc2Cl)cn1 62791217 RLYWVYBGIVQKSK-UHFFFAOYSA-N 257.724 3.527 30 20 CHED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)CC1CCCCC1 114322745 UFUBLJZMFZUFNK-CZUORRHYSA-N 264.413 3.647 30 20 CHED N#Cc1cc(NCc2ccc(F)cc2)nc2ccccc12 68769846 JSLYVMIOGOJGQH-UHFFFAOYSA-N 277.302 3.858 30 20 CHED CC(C)(CCC#N)CNCCOc1cccc(Cl)c1 174293437 UTYOWXASPMRJDL-UHFFFAOYSA-N 280.799 3.638 30 20 CHED C[C@@H]1CN(c2ccc(C#N)cc2F)[C@H]2CCCC[C@H]12 302191892 RIKMZHQOSIBQKY-KYOSRNDESA-N 258.340 3.712 30 20 CHED C=CCCO[C@H](C)C(=O)N1CCC[C@H]1c1ccc(C)cc1 66311964 DZMRMYPOWUOIAJ-WBVHZDCISA-N 287.403 3.640 30 20 CHED Cc1csc(-c2cccc(Nc3nccnc3C#N)c2)n1 301162634 HRLAKLBVTGLISM-UHFFFAOYSA-N 293.355 3.524 30 20 CHED C[C@H](NCCCCCN1CCCCC1)c1ccc(C#N)cc1 174076963 CPZVOKGWJDSGNH-KRWDZBQOSA-N 299.462 3.865 30 20 CHED C#CCCCOC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 303836901 RWPXLVPXJKUBRY-GFCCVEGCSA-N 298.304 3.841 30 20 CHED C=CCCOCCNCc1csc2ccccc12 120798414 UPJQLMUSALHHGD-UHFFFAOYSA-N 261.390 3.584 30 20 CHED N#CCCCCNC(=O)Nc1ccc(CC(F)(F)F)cc1 173650429 WHWIYNQAXDMSMR-UHFFFAOYSA-N 299.296 3.607 30 20 CHED Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C#N)ccc2C)cc1 69177394 RFHZQFWTCANNQD-AWEZNQCLSA-N 294.354 3.581 30 20 CHED COc1ccc(/C=C/C(=O)c2occc2C)cc1OC 119019277 YMIAIOUQHJGDLA-GQCTYLIASA-N 272.300 3.501 30 20 CHED C=CCN(CC=C)C(=O)C1(c2cccc(F)c2)CCCC1 301943661 CLODSXDZFBWJET-UHFFFAOYSA-N 287.378 3.838 30 20 CHED C=CCCCC(=O)OCc1ncc(-c2ccc(F)cc2)o1 174913789 RLXYKXCNOGHKBV-UHFFFAOYSA-N 289.306 3.880 30 20 CHED Cc1cc(CNc2ccccc2S[C@H](C)CC#N)no1 66861152 FUBALTLFEBROQP-GFCCVEGCSA-N 287.388 3.989 30 20 CHED Cc1nnc(NC[C@@H](c2ccccc2)C(C)C)c(C#N)c1C 301063557 DBPNNKCDCVOAAM-QGZVFWFLSA-N 294.402 3.817 30 20 CHED C[C@H]1C[C@H](Nc2c(Cl)cccc2C#N)C[C@@H](C)O1 301986287 ZHTMLOCATMAHEA-PEGIJTEDSA-N 264.756 3.580 30 20 CHED C=CCCCC(=O)NCc1ccccc1OCC(C)C 175396266 RGCAXPMDJAGHFH-UHFFFAOYSA-N 275.392 3.694 30 20 CHED C[C@H](Cc1ccccc1F)Nc1c(C#N)cccc1C#N 302865791 YEPBOCKQMLWIHY-GFCCVEGCSA-N 279.318 3.612 30 20 CHED CCc1cc(N2CCC(C#N)CC2)c2ccccc2n1 124330981 FXOJPGZIDMVIAQ-UHFFFAOYSA-N 265.360 3.537 30 20 CHED Oc1cccc(/C=N/c2cccc(COCC3CC3)c2)c1O 64925433 ZLNOHKUIISVIIH-VXLYETTFSA-N 297.354 3.775 30 20 CHED CC1(C)CC[C@H](CN2CCC[C@H]2[C@H](C#N)c2ccccc2)O1 409447214 XJKZELJCBUBXDQ-KURKYZTESA-N 298.430 3.716 30 20 CHED CCc1nnc([C@@H](C)SCc2ccc(F)cc2C#N)o1 125491984 RXWGSXZORLOMGQ-SECBINFHSA-N 291.351 3.637 30 20 CHED C[C@@H]1Cc2ccccc2N1c1ccc(Cl)c(C#N)n1 301498897 CRCFZQMBRBVKDH-SNVBAGLBSA-N 269.735 3.689 30 20 CHED C[C@H](CN(C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 67014477 QNPRIZDUCQJAND-CQSZACIVSA-N 293.370 3.826 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H]1CCCc2cc(N)ccc21 186583654 UTNOFWDIRSJTMO-QGZVFWFLSA-N 284.403 3.531 30 20 CHED CC[C@@H](C#N)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 122214831 MFBLBZBIVLELGI-QWHCGFSZSA-N 294.782 3.612 30 20 CHED C[C@H](c1ccccc1F)N(C)Cc1ccc(C#N)s1 129730574 PPSFJPZKLJEDAE-LLVKDONJSA-N 274.364 3.952 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnn(CC(C)C)c1 183262169 CCWFEGYFXURHKQ-UHFFFAOYSA-N 290.455 3.691 30 20 CHED N#Cc1ccc(N2C[C@@H]3CCC[C@H]3C2)c(C(F)(F)F)c1 301593155 DVXDHKOAHJDFQR-RYUDHWBXSA-N 280.293 3.813 30 20 CHED C=CCC[C@@H](NCc1nc(C2CC2)no1)c1ccccc1 180039668 SXZGFJJECJYQAQ-OAHLLOKOSA-N 283.375 3.744 30 20 CHED CCN(CC)c1ccc(CNCc2cccc(C#N)c2)cc1 73870154 AKOJEBAXAAVBEY-UHFFFAOYSA-N 293.414 3.694 30 20 CHED C[C@H](NC(=O)N[C@@H](C)c1cccs1)c1ccc(C#N)cc1 31107028 YYDFHEXNQVQRAV-RYUDHWBXSA-N 299.399 3.741 30 20 CHED CC(C)CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 73427212 RVAWMFSULUDEHH-IAGOWNOFSA-N 299.418 3.514 30 20 CHED N#Cc1ccc(COc2ccc(F)cc2Cl)cc1 37847121 JCHVEHCPZYYANG-UHFFFAOYSA-N 261.683 3.930 30 20 CHED CCc1ccc([C@H](C)CC(=O)NCC2(C#N)CCC2)cc1 416347709 QGADTETXOXTHFQ-CQSZACIVSA-N 284.403 3.553 30 20 CHED C=C[C@H](CO)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 414163394 NCOOTWGTQZJSAZ-FVQBIDKESA-N 279.811 3.503 30 20 CHED C=CCCC(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 74264948 HZUVUHQSBUJMEJ-RDJZCZTQSA-N 271.404 3.995 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc(F)c(C)cc1F 182649616 DXVCVLMXGIMOJP-NSHDSACASA-N 267.319 3.748 30 20 CHED C=CC1CCN(C(=O)c2cccn2C2CCCC2)CC1 181773470 JVUQYDMJEGGOSH-UHFFFAOYSA-N 272.392 3.641 30 20 CHED Cc1cc(CO/N=C/c2ccc(C(C)C)cc2)on1 70846989 LKJFHAQSACZBJX-CXUHLZMHSA-N 258.321 3.657 30 20 CHED Cc1cscc1NC(=O)N(C)Cc1cccc(C#N)c1 123508844 NHKMBDQBRHFVCV-UHFFFAOYSA-N 285.372 3.592 30 20 CHED C=C[C@@](C)(CCOC)c1nc(-c2ccc(C)cc2)no1 188032610 ZATXOTVQWASNRG-INIZCTEOSA-N 272.348 3.525 30 20 CHED CN1C(=O)CCc2cc(/C=C/C(=O)c3ccsc3)ccc21 187640745 UQGZTRGWJRYOBT-ZZXKWVIFSA-N 297.379 3.553 30 20 CHED CC(C)(C#N)CCCCN1CCC([C@@H]2CCCO2)CC1 365206950 WGUSSYYUMHCNPI-INIZCTEOSA-N 278.440 3.597 30 20 CHED C=CCCOCCNCc1ccc(OC)c2ccccc12 120861286 KLTPAQXGRKYTJS-UHFFFAOYSA-N 285.387 3.531 30 20 CHED N#Cc1sc(NC[C@H]2CCCC(F)(F)C2)nc1Cl 286301681 DPFFVMJTRASZMX-ZETCQYMHSA-N 291.754 3.906 30 20 CHED C[C@@H](NC1(Cc2ccccc2)CC1)c1ccc(C#N)cc1 186577873 NCCNHPIIYJZSED-OAHLLOKOSA-N 276.383 3.984 30 20 CHED C=CCOCCN[C@@H](C)c1ccc(Cl)cc1Cl 379730219 LRQJTUMNTPGVHJ-JTQLQIEISA-N 274.191 3.847 30 20 CHED C=CCN(Cc1ccccc1)C(=O)NCC1(CC)CC1 79129934 ZWLZCYAWSAMAFY-UHFFFAOYSA-N 272.392 3.574 30 20 CHED C=CCC1(C(=O)N2CC[C@@H](OC)C[C@H]2C)CCCCC1 410826433 YGKSAPLJOBROQI-HUUCEWRRSA-N 279.424 3.539 30 20 CHED C[C@@H](C#N)Oc1ccccc1NCc1cnn(C(C)(C)C)c1 181119899 DQXWMORVZVIKCC-ZDUSSCGKSA-N 298.390 3.541 30 20 CHED CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C)c(N(C)C)cc1C#N 415713135 VHRLSEHCDUVVCY-UKRRQHHQSA-N 299.418 3.698 30 20 CHED Cc1ccc(/C=C/C(=O)c2ccc(C#N)s2)s1 134495795 HXJXOFWRDPIYNY-GQCTYLIASA-N 259.355 3.886 30 20 CHED C[C@@H]1CCN=C(O)[C@@H]1/N=C(/O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329119074 OWUVHQHYXXORSZ-XLWJZTARSA-N 292.423 3.914 30 20 CHED N#Cc1ccc(F)cc1CSc1ncnc2ccccc12 130026517 GFQZHBKCVXICIG-UHFFFAOYSA-N 295.342 3.933 30 20 CHED N#CC1(CNCc2ccc(Sc3ccccn3)o2)CCC1 418145321 XKCDDIDIVFBDEW-UHFFFAOYSA-N 299.399 3.609 30 20 CHED C[C@]1(C#N)CCCN(C(=O)c2cccc3ccsc23)C1 613401017 LPUYEISXSDZDMW-MRXNPFEDSA-N 284.384 3.667 30 20 CHED C=CCOc1ccc(OCCCC(C)(C)C#N)cc1 135508169 PVWNSZALKAXYHT-UHFFFAOYSA-N 259.349 3.960 30 20 CHED CC1(C)CN(CC(O)=Nc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 328866116 NSLLIKWLMCXSCP-HZPDHXFCSA-N 297.402 3.657 30 20 CHED C#CCCCNCc1ccc(Br)cc1SC 381569499 WLZAOCSVXLVQNV-UHFFFAOYSA-N 298.249 3.674 30 20 CHED C[C@@H](CC1CCCC1)C(O)=Nc1nc2cccnc2n1C 329942722 HKORNEBSGHCLQJ-NSHDSACASA-N 286.379 3.773 30 20 CHED CCC(C#N)(CC)C(=O)Nc1cc(OC)ccc1Cl 44767300 XTUKEIHPSMPKRH-UHFFFAOYSA-N 280.755 3.617 30 20 CHED CC(C)CC[C@@H]1CCC[C@@H]1/N=C(/O)c1csc(O)n1 329911698 NZJXQKKDDWFJFI-QWRGUYRKSA-N 282.409 3.758 30 20 CHED C=CCCC(=O)CSc1cc2c(cc1Cl)OCCO2 134809788 SIQCRPOZILPZAR-UHFFFAOYSA-N 298.791 3.739 30 20 CHED COCc1ccccc1/C=C(/C)CN[C@@H]1CC[C@H](C#N)C1 424203822 SAQHEIORYUNBDX-HTHFIHQDSA-N 284.403 3.518 30 20 CHED COc1cccc2cc([C@@H](C)N[C@@H]3CC[C@H](C#N)C3)oc12 424319056 DJJRXBVLTFKZPU-MBNYWOFBSA-N 284.359 3.784 30 20 CHED C[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(CC#N)cc1 193997255 RNGYFLPXSOMIIZ-HIFRSBDPSA-N 285.391 3.700 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2CCC(C)(C)C[C@H]2C)C1 328911043 NWJDXOOBCDLAJC-RNJOBUHISA-N 280.412 3.913 30 20 CHED Cc1c(C(=O)OC(C)C)sc2ccc(C#N)cc12 429419718 AMJAVEIYNPRUCH-UHFFFAOYSA-N 259.330 3.647 30 20 CHED C[C@H](/N=C(/O)c1ncoc1C1CC1)C1CCCCC1 328825969 HSYSCWOERMHQIU-JTQLQIEISA-N 262.353 3.825 30 20 CHED Cn1nncc1/C(O)=N/[C@H](CC1CCCCC1)C(C)(C)C 328851676 WTUJBMXEVGHDEP-CQSZACIVSA-N 292.427 3.505 30 20 CHED CCC(C)(C)CNC(=O)Nc1ccccc1O[C@@H](C)C#N 191930880 YLWZAXSOFWYLKO-LBPRGKRZSA-N 289.379 3.535 30 20 CHED C=CCC[C@@H](NC(=O)N(C)CC(C)C)c1ccccc1 429852594 OZBFGQQSIIZBCP-MRXNPFEDSA-N 274.408 3.991 30 20 CHED COc1ccccc1/C=C/C(=O)c1cc(F)cc(F)c1 88305149 XQNJTSBCKJHQJT-VOTSOKGWSA-N 274.266 3.870 30 20 CHED C=CCC(C)(C)C(=O)NCc1cc(F)ccc1SC 514850834 KNXYRNMRENWWFB-UHFFFAOYSA-N 281.396 3.766 30 20 CHED COc1cc(SC)ccc1N/C(O)=N/[C@@H]1CC[C@H](C)C1 331337367 ZIWIIVHSJWLKJF-WDEREUQCSA-N 294.420 3.932 30 20 CHED C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(F)cc1F 426030762 VLGGIZXNNSSMFJ-DGCLKSJQSA-N 294.345 3.776 30 20 CHED OC(C[C@H]1C=CCCC1)=Nc1cccc(N2CCN=C2O)c1 330202900 ZYGZEPQNHXKGSX-ZDUSSCGKSA-N 299.374 3.755 30 20 CHED Cc1nsc(NC(=O)c2ccc(C(C)C)s2)c1C#N 334811412 HSENXYCHGGPNQX-UHFFFAOYSA-N 291.401 3.760 30 20 CHED C=C[C@H](C)NCc1ccc(-c2c(F)cccc2F)o1 237560241 UPRTTWNAZVHUKJ-JTQLQIEISA-N 263.287 3.889 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 336231124 QXVGCIJXDPUSDA-XPTSAGLGSA-N 297.185 3.502 30 20 CHED CCOc1ccc(Nc2snc(Cl)c2C#N)cc1 92581301 UDGYEWDMHNOOTQ-UHFFFAOYSA-N 279.752 3.810 30 20 CHED CS[C@H]1CCC[C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])C1 425228532 KIYSBKQTQJOIJF-NEPJUHHUSA-N 291.376 3.553 30 20 CHED C=CCc1cccc(F)c1OCc1noc(C(C)C)n1 424103050 PUVIHVGZVVEZNA-UHFFFAOYSA-N 276.311 3.640 30 20 CHED N#Cc1ccncc1N[C@H]1CCSc2c(F)cccc21 94135323 LWLQFZHBWDSQDV-ZDUSSCGKSA-N 285.347 3.741 30 20 CHED Cc1n[nH]c(C)c1/C=C\C(=O)c1cccc(C(F)(F)F)c1 98007757 ZHWCVZOAVADGLC-SREVYHEPSA-N 294.276 3.941 30 20 CHED C=C(C)C(C)(C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 335099701 NQGWDMHKXXXPSC-UHFFFAOYSA-N 294.398 3.776 30 20 CHED CC1=C(C(=O)N[C@@](C)(C#N)CCc2ccccc2)CCC1 437653035 HPBILZLZZNBHDB-GOSISDBHSA-N 282.387 3.518 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)C1CCCCC1 436306700 IXKWBDZHTOEXHG-ULQDDVLXSA-N 265.441 3.916 30 20 CHED N#CCCSc1ccccc1NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 95953418 YHHDHTWRGKJYOF-RDBSUJKOSA-N 298.411 3.843 30 20 CHED CC(C)c1cccnc1NC(=O)c1ccc(C#N)c(Cl)c1 336309007 WNKKXXCIRUUTGG-UHFFFAOYSA-N 299.761 3.982 30 20 CHED CCCCCCNCc1ccc(O[C@@H](C)C#N)cc1 236651766 XNNCJLLBLRSTQP-AWEZNQCLSA-N 260.381 3.647 30 20 CHED CC(C)(C)[C@H]1CCC[C@@H](NC(=O)CCCC#N)CC1 332048440 VNCABWXTGHNBHQ-UONOGXRCSA-N 264.413 3.791 30 20 CHED N#CCc1cccc(NC2CCC3(CCOCC3)CC2)c1 334666223 QYAVYTJHKUZGRA-UHFFFAOYSA-N 284.403 3.904 30 20 CHED CC(C)(C)/N=C(/O)Nc1cc(F)c(OC(F)F)cc1F 331178578 QNNVZDZGOBHXJJ-UHFFFAOYSA-N 294.248 3.691 30 20 CHED CC[C@@H](Nc1ncc(C#N)cc1Cl)c1c(C)noc1C 339784969 HSQJBVOCSXKFIH-GFCCVEGCSA-N 290.754 3.775 30 20 CHED CC#CCCNC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 430188487 SIVGLRBZWLLKDT-QGZVFWFLSA-N 284.403 3.510 30 20 CHED COC1(C/N=C(/O)C[C@@H]2CCC(=O)[C@@H]2C)CCC(C)CC1 330059741 LMWBJQOXKATVJJ-DLOXAQCQSA-N 295.423 3.544 30 20 CHED N#CCCCCNCc1cc(Cl)ccc1OCC1CC1 430025222 IOZYDHAYHSCGHY-UHFFFAOYSA-N 292.810 3.912 30 20 CHED C=CCC[C@H](CCC)N[C@@H]1CCO[C@@]2(CCSC2)C1 246531419 VILRCKQXDYTGPB-XHSDSOJGSA-N 283.481 3.766 30 20 CHED C=CCCCSCC(=O)Nc1ccc2c(c1)CCC2 344652748 MXEKGWPSSHLPJV-UHFFFAOYSA-N 275.417 3.813 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 247966293 BPHUSCIKRJVNDJ-KCQAQPDRSA-N 275.417 3.699 30 20 CHED C=CC[C@@H](C)NC(=O)CCSc1ccc(C)cc1 342363089 VDEXCHWIEIYNBD-CYBMUJFWSA-N 263.406 3.558 30 20 CHED CC(C)C1(C)CCN(C(=O)c2ccccc2CC#N)CC1 601468958 IDUIPMAYGIMUKR-UHFFFAOYSA-N 284.403 3.651 30 20 CHED N#Cc1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])cc1 52929253 VOSOQSLXWGFCKL-UHFFFAOYSA-N 288.690 3.699 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C(C)(C)C1 437817330 BUCIEJHGGUHSOP-LLVKDONJSA-N 294.345 3.780 30 20 CHED C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(C)c(Cl)c1 435732883 RAFVDZQZBGJQIT-GOEBONIOSA-N 279.811 3.719 30 20 CHED CCCOc1cc(C)ccc1CNc1cc(C#N)ccn1 342553459 TWPDQAHSCKWCJM-UHFFFAOYSA-N 281.359 3.663 30 20 CHED C=CCC1(C(=O)Nc2ccc(COC)c(C#N)c2)CCCC1 529814344 MVLBBKOFFPXOBB-UHFFFAOYSA-N 298.386 3.780 30 20 CHED COCc1cccc(/C=C\C(=O)c2ccccc2)c1 255515314 TYWBEUPPIPEJCV-KHPPLWFESA-N 252.313 3.729 30 20 CHED C[C@@H](CCC#N)CNCC[C@H]1CCc2ccccc21 602673758 NEWYEXQUASENCF-GOEBONIOSA-N 256.393 3.636 30 20 CHED COc1cc(C)c([C@H](C)N2CC[C@](C)(C#N)C2)cc1C 602718337 NABKUIHPGBBDID-WMLDXEAASA-N 272.392 3.609 30 20 CHED Cc1sc(CNCc2ccc(C#N)s2)nc1C(C)C 344167850 DYUJVQNHJFYFIV-UHFFFAOYSA-N 291.445 3.798 30 20 CHED CSc1ccc([C@H](C)Nc2cc(C#N)ccn2)cc1 343046489 RSSLWLKLDBKICU-NSHDSACASA-N 269.373 3.848 30 20 CHED C[C@@H](CC#N)NCC/C=C\c1ccc(Br)cc1 600603632 NUSPVKPKVWHHQU-QQHVMHFCSA-N 293.208 3.744 30 20 CHED CC(C)c1csc([C@@H](C#N)C(=O)/C=C\c2ccco2)n1 255480372 HOIZJSZGSYHWQA-FJOGCWAESA-N 286.356 3.749 30 20 CHED C=CCC1(NCc2cnn(C(C)C)c2)CCCCC1 449575161 KSFCTIWCUMGSLP-UHFFFAOYSA-N 261.413 3.833 30 20 CHED C[C@@H]1COC[C@@H](c2ccccc2)N1Cc1cccc(C#N)c1 354887916 XEWDSMKKZMMGNA-BEFAXECRSA-N 292.382 3.520 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 448735108 IBQTZVXBZGWFKT-UHFFFAOYSA-N 273.254 3.578 30 20 CHED Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@H](C#N)C1 442837864 KGLFPMBKISBTBG-LSTDLKDCSA-N 298.430 3.967 30 20 CHED C[C@H](CN(C)Cc1cc(C#N)ccc1F)c1ccccc1 608976588 AJANMGNLCUQCGM-CQSZACIVSA-N 282.362 3.933 30 20 CHED C=C[C@](C)(CC)C(=O)N1Cc2ccc(OC)cc2C2(CC2)C1 359659322 POWAOMHJOVFYFZ-GOSISDBHSA-N 299.414 3.671 30 20 CHED COc1cc(CNC(C)(C)c2cccs2)ccc1C#N 440823202 RGVSOCKBZPPACA-UHFFFAOYSA-N 286.400 3.653 30 20 CHED N#Cc1ccc(CNc2cnc3c(c2)CCCC3)c(F)c1 359820412 MSZMEOZMYCYSJD-UHFFFAOYSA-N 281.334 3.583 30 20 CHED N#CCc1ccc(NCc2cnc3ccc(Cl)cn23)cc1 353003655 RLBUGWFUDJOICL-UHFFFAOYSA-N 296.761 3.666 30 20 CHED C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H](C)C1 355329174 FVXWIZDYUIJATJ-HFAKWTLXSA-N 289.354 3.644 30 20 CHED C=CCN(Cc1sc(C)nc1C)c1ccccc1 355051438 HTOGCKIMBAOJQW-UHFFFAOYSA-N 258.390 3.953 30 20 CHED CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(C#N)s1 538797741 WUXIJYHKASKFKD-HUUCEWRRSA-N 292.448 3.645 30 20 CHED C=CCOc1ccc(CN[C@@H](C)c2ccon2)cc1Cl 351606914 VLEAYZQEUUHFQB-NSHDSACASA-N 292.766 3.744 30 20 CHED C=CCCCC[C@H](C)Nc1cccc(CS(C)(=O)=O)c1 449048110 DTOIGQZXPIRFOK-AWEZNQCLSA-N 295.448 3.778 30 20 CHED COC1(CN[C@H]2CCCc3cc(C#N)ccc32)CCCCC1 359972783 XUZLGIZZJQWSHP-SFHVURJKSA-N 298.430 3.875 30 20 CHED C=CCCNC(=O)c1oc2c(C)ccc(C)c2c1C 617614656 IWQINLQDWMAHNE-UHFFFAOYSA-N 257.333 3.664 30 20 CHED C=CCC1(C(=O)NC2CCN(C(C)C)CC2)CCCCC1 448596386 FHVTYYPTZJZSQQ-UHFFFAOYSA-N 292.467 3.502 30 20 CHED C=CC[C@H](CC)NC(=O)Nc1ccc(F)c(C(C)=O)c1 352104457 ANYUOWSBBAGMLV-NSHDSACASA-N 278.327 3.505 30 20 CHED CCN(CC)C[C@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 530714362 QBSBZRNIABRXTP-MOPGFXCFSA-N 299.462 3.548 30 20 CHED CC(C)(C#N)CCN1CC(C)(C)Oc2ccccc21 537386352 MSDIVIHENGGFOE-UHFFFAOYSA-N 258.365 3.604 30 20 CHED C[C@@H](NCCCCC1CCOCC1)c1cccc(C#N)c1 619621165 WYXYTFPVHSOSBV-OAHLLOKOSA-N 286.419 3.806 30 20 CHED C=C(C)CCNC(=O)CCc1ncc(-c2ccc(C)cc2)o1 452719689 CQLMWHASPNDZBK-UHFFFAOYSA-N 298.386 3.665 30 20 CHED C=CCC1(C(=O)Nc2cc3c(cn2)CCCC3)CCC1 361211878 RFFMRLPYLYFNJU-UHFFFAOYSA-N 270.376 3.645 30 20 CHED C[C@@H]1CC(C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H](C)C1 362284883 HDWQLXFOFVUIMI-QWRGUYRKSA-N 274.339 3.708 30 20 CHED C[C@H](N[C@@H]1CCCC1(C)C)c1ccc(C#N)c(F)c1 537406968 LBXUJJCKFXWKKH-XHDPSFHLSA-N 260.356 3.927 30 20 CHED C=CCC1(NC(=O)Cc2noc3ccccc23)CCCCC1 456376614 FCUXZYMJEJMFQE-UHFFFAOYSA-N 298.386 3.766 30 20 CHED C=C(CC)CNC(=O)Nc1cnn(CCCC)c1C(C)C 455270648 GTLOKSQENSXBGR-UHFFFAOYSA-N 292.427 3.894 30 20 CHED C=CCCN1CCCC[C@@H]1c1nc2ccccc2n1C 533065502 WTAQAPWBRCPJIF-MRXNPFEDSA-N 269.392 3.676 30 20 CHED N#Cc1c(F)cccc1NCc1c(F)cc(F)c(F)c1F 362364560 IRIVTXRMNCVSBM-UHFFFAOYSA-N 298.214 3.866 30 20 CHED C=C(C)CCNC(=O)N[C@H](c1ccccc1)C(C)C 454209180 RXXXOFRKOFAHMO-HNNXBMFYSA-N 260.381 3.649 30 20 CHED C#CCCCSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 270828008 IJXDPFZJVTXQCJ-OCCSQVGLSA-N 277.437 3.843 30 20 CHED CCC1(CNC(=O)C2(C#N)CCCCC2)CCCCC1 546545076 RBDNNBFACSLXBA-UHFFFAOYSA-N 276.424 3.937 30 20 CHED CC(C)CCc1noc(/C=C/c2ccc(C#N)cc2)n1 544823678 FJAZPHTWSUBYTL-CSKARUKUSA-N 267.332 3.700 30 20 CHED CC(C)c1ccc(C[C@H](C)NC(=O)CC(C)(C)C#N)cc1 278293123 CVDXBXWCRAPHGP-AWEZNQCLSA-N 286.419 3.797 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](CC(C)(C)C)C1 457075248 JCUANMCKTSQQKS-CJNGLKHVSA-N 251.414 3.873 30 20 CHED C=CCCO[C@@H](C)c1nc(-c2ccc(COC)cc2)no1 273783552 ROEQDVZICMNPGV-LBPRGKRZSA-N 288.347 3.537 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1cncc(Cl)c1C 457694272 CNZMNGYVPQRYHR-SNVBAGLBSA-N 266.772 3.518 30 20 CHED CC(C)(CC#N)CN[C@H]1CCc2cc(F)c(F)c(F)c21 459731333 NMDHHMCUTQYQBA-NSHDSACASA-N 282.309 3.621 30 20 CHED C=C(C)CCNC(=O)c1coc2cc(C)c(C)cc12 452718724 QOMLHRPJVKCVLQ-UHFFFAOYSA-N 257.333 3.746 30 20 CHED C[C@@H](NC(=O)[C@@]1(C#N)C[C@H]1C)c1cc(Cl)ccc1Cl 450785682 BNOWPTJPCGIAKC-RFXMVYNHSA-N 297.185 3.720 30 20 CHED CC(=O)c1ccccc1OCCSCCC(C)(C)C#N 276568507 DOJSTTRCJDREEH-UHFFFAOYSA-N 291.416 3.941 30 20 CHED CN(Cc1ccc(C#N)cc1)C[C@H]1CCOc2ccccc21 362443482 WXBKKOULNPUYHZ-QGZVFWFLSA-N 292.382 3.556 30 20 CHED Cc1cccc(C)c1[C@@H](C)NC(=O)c1cccc(CC#N)c1 546162744 ZKZGJICSXALBPW-OAHLLOKOSA-N 292.382 3.861 30 20 CHED C=CCCc1noc([C@H]2CCN(c3ccccc3)[C@H]2C)n1 453243256 YWFLIWBOAIMMGB-ZFWWWQNUSA-N 283.375 3.571 30 20 CHED C=CCCC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 276519205 CAMGDVZHQVBGCX-JTQLQIEISA-N 271.282 3.849 30 20 CHED C#CCCCCC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 378401599 XTRCGRROPPZQJT-WMZOPIPTSA-N 283.415 3.660 30 20 CHED C=CCC[C@@H](NS(=O)(=O)CCCCC)c1ccccc1 545365582 XPYKONIWTLEALT-MRXNPFEDSA-N 295.448 3.804 30 20 CHED CC#CCCCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 466232309 BOFZGWUKBOMUCG-QGZVFWFLSA-N 296.414 3.859 30 20 CHED N#Cc1cccc(CN[C@@H](c2cccs2)C2CC2)c1F 542511309 JCKXKWRMVDKLOJ-MRXNPFEDSA-N 286.375 4.000 30 20 CHED C=C(C)[C@@H](CC(=O)Nc1ncc(C(C)C)s1)OCC 270238744 WECSIRWCLGCRGB-LLVKDONJSA-N 282.409 3.576 30 20 CHED C[C@@H](NCc1cccc(N(C)C)c1)c1ccc(C#N)c(F)c1 271921782 DZUWBAWBXDFWAH-CYBMUJFWSA-N 297.377 3.614 30 20 CHED C=CCCN(C)C(=O)CCCOc1ccc(Cl)c(C)c1 466630087 DTCHKYFKUBGXCZ-UHFFFAOYSA-N 295.810 3.842 30 20 CHED C=CC[C@@H](CC)NC(=O)Nc1ccc(OC)c(Cl)c1 466397025 BOQIGNGEDAGGLY-SNVBAGLBSA-N 282.771 3.825 30 20 CHED Cc1ncsc1CCSCCC(C)(C)C#N 284998833 GWTFFABPVJKTLW-UHFFFAOYSA-N 254.424 3.667 30 20 CHED C[C@@H](C(=O)N[C@H](C)C1CCCCC1)c1cccc(C#N)c1 462147168 SMTIDYIZKAHSAL-ZIAGYGMSSA-N 284.403 3.747 30 20 CHED C=CC[C@H](CC)NC(=O)CCCc1cccs1 281039382 IWYBYFFOEBZUFG-LBPRGKRZSA-N 251.395 3.542 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@@]1(C)CC 466294707 BHFLYWAUOSVTNO-WMLDXEAASA-N 275.367 3.777 30 20 CHED CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 281079691 FBBUHZMUHUCVAV-BBRMVZONSA-N 284.403 3.891 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1cccc(F)c1F 467457108 WCRALNJBRZARCA-LBPRGKRZSA-N 286.325 3.730 30 20 CHED CC(C)C1(C)CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 462489372 JWZJPXVPROICNV-HNNXBMFYSA-N 298.430 3.946 30 20 CHED C=CCCN(C)C(=O)c1ccc(-c2ccccc2F)o1 467065199 YCUXVQVBFXKVFZ-UHFFFAOYSA-N 273.307 3.734 30 20 CHED C[C@H]1C[C@H](C)CC[C@@H]1NC1(c2cccc(C#N)c2)CC1 551573641 XJMNCVKMTJUNNT-KEYYUXOJSA-N 268.404 3.962 30 20 CHED Cc1nc(-c2ccc(NC[C@H](C#N)CCC#N)cc2)cs1 554540985 KAGSEFOQXSLPSD-ZDUSSCGKSA-N 296.399 3.974 30 20 CHED C[C@H](NCc1ccc(F)cc1C#N)C1CCCCC1 553095183 JQUSEAGTXNSQBE-LBPRGKRZSA-N 260.356 3.756 30 20 CHED C[C@]1(c2ccccc2)CCCN(c2ccc(C#N)cn2)CC1 553263743 WWRRLYJHKYOMRK-IBGZPJMESA-N 291.398 3.901 30 20 CHED C[C@@H](SCCOc1cccc(C#N)c1)c1cccnc1 289406621 OADYLELQVVULNE-CYBMUJFWSA-N 284.384 3.826 30 20 CHED N#Cc1cc(N[C@H]2C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] 463653555 BSBKIELCXMYION-BBRMVZONSA-N 293.326 3.510 30 20 CHED C=C(C)CCc1noc(-c2cccc3[nH]ccc23)n1 552041223 OADGSFUMXXYTBN-UHFFFAOYSA-N 253.305 3.727 30 20 CHED C=CCCN(C)C(=O)C1(c2ccccc2)CCCC1 466624566 ARTVPNKYAIJYRO-UHFFFAOYSA-N 257.377 3.533 30 20 CHED C=C(Br)CNC(=O)c1cccc2ccsc12 386310078 LTAUKSMMPRHBHR-UHFFFAOYSA-N 296.189 3.540 30 20 CHED Cc1cccc([C@@H]2CCCN2c2cc(C#N)ccn2)c1 286250765 IUTOZDHFBAMLDA-INIZCTEOSA-N 263.344 3.603 30 20 CHED C#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1 289270485 NLQJZLFIFIIYTQ-WOJBJXKFSA-N 291.394 3.678 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)NC(C1CC1)C1CC1 471590082 JOSYIUDBKQQKHB-UHFFFAOYSA-N 298.430 3.963 30 20 CHED C=CCCC1(C(=O)Nc2nnc(CCCCC)s2)CC1 475107687 GGJUKYWHFBUFQB-UHFFFAOYSA-N 293.436 3.956 30 20 CHED CC#CCN(C)C(=O)CC1CCC(c2ccccc2)CC1 558047316 GKOVTNUBYOKJTD-UHFFFAOYSA-N 283.415 3.832 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 552468722 XCXKOLPWHVTUGO-WBVHZDCISA-N 296.414 3.880 30 20 CHED C=CCC(C)(C)C(=O)N[C@H](CC)CNc1ccccc1 295919629 ORKFUBBQTGCEDI-CQSZACIVSA-N 274.408 3.596 30 20 CHED C=CCC[C@@H](O)CN1CC[C@H](C)Sc2ccccc21 472753182 QBDVFAMWLYSGLO-UONOGXRCSA-N 277.433 3.704 30 20 CHED N#CCN(C(=O)[C@H]1CCCc2ccccc21)c1ccccc1 299333259 QSPDFYAWMSOQES-SFHVURJKSA-N 290.366 3.663 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)CCCCCC#N)[nH]c12 805885367 WXMGSCYNEHJIPY-CYBMUJFWSA-N 294.358 3.522 30 20 CHED CC(C)[C@@H]1N(C(=O)c2ccc(C#N)c(Cl)c2)CC1(C)C 562259012 UNGZCBDOOLJIIJ-AWEZNQCLSA-N 290.794 3.718 30 20 CHED N#C[C@]1(C(=O)Nc2cccc3cccnc23)CC12CCCC2 297859583 OGJHWEQYXRFJFJ-SFHVURJKSA-N 291.354 3.647 30 20 CHED CC1(C)CN(C(=O)Nc2ccc(CC#N)cc2)[C@H]2CCC[C@H]21 296486203 XTNIPXUZCDDELN-CVEARBPZSA-N 297.402 3.795 30 20 CHED C=CCOCCCN1CC[C@H](Cc2ccccc2)[C@@H]1C 470779807 CRZPKFMBKHNOGG-FUHWJXTLSA-N 273.420 3.532 30 20 CHED C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)CCCC#N 291895988 KNXBITKMWFAYAJ-DYVFJYSZSA-N 270.376 3.510 30 20 CHED C[C@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)o1 564556985 BLFBOQMIFOBMQE-HZMBPMFUSA-N 297.314 3.795 30 20 CHED CCCC[C@@H](C)C(C)=NNc1ccc(C(=O)O)cc1 807939934 QUSNAQULWJFNTA-LLVKDONJSA-N 262.353 3.999 30 20 CHED C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 642015767 IPKAOZWUUAIWJW-SQWLQELKSA-N 287.403 3.806 30 20 CHED CC#CC(=O)N(C)Cc1c(CCCC)oc2ccccc12 801113865 XNIHOSSIODRUFY-UHFFFAOYSA-N 283.371 3.757 30 20 CHED CC[C@H](C#N)OC(=O)c1sc2cc(F)ccc2c1C 805706642 JCBVIDGVEFONRZ-SNVBAGLBSA-N 277.320 3.808 30 20 CHED C=CCC1(c2nc(Cc3ccccc3C)no2)CCC1 562841793 RSYAPKPLMJVSQB-UHFFFAOYSA-N 268.360 3.967 30 20 CHED CC1(CC(=O)N[C@@H](C#N)c2ccccc2Cl)CCCC1 564753896 OUYZYVOUJWZBTE-AWEZNQCLSA-N 290.794 3.991 30 20 CHED C[C@H](N[C@@H](CO)CCC(C)(C)C)c1ccc(C#N)c(F)c1 479522602 NXIYRXNMDXPZRH-SWLSCSKDSA-N 292.398 3.535 30 20 CHED CCCCc1ccc(N(C)C(=O)[C@](C)(C#N)CC)cc1 808481751 OWEIQXOWQUNNNX-KRWDZBQOSA-N 272.392 3.932 30 20 CHED N#C[C@@H]1CC[C@H](N[C@H]2CCC[C@H](c3ccccc3)C2)C1 488459094 CSLCJXVZCXARKI-UBDQQSCGSA-N 268.404 3.995 30 20 CHED Cc1sc(NC(=O)CCC2CCC2)c(C#N)c1C 487199424 LIVWUQPVHCFZLI-UHFFFAOYSA-N 262.378 3.755 30 20 CHED CCCCCCCC(=O)NC(C)(C)c1cn(C(C)C)nn1 817509349 JCGGZQZFMATKIN-UHFFFAOYSA-N 294.443 3.571 30 20 CHED C[C@H](Nc1cc(C#N)ncn1)c1ccccc1C(F)(F)F 568962864 NVORDLXJHVDXHO-VIFPVBQESA-N 292.264 3.540 30 20 CHED CCCCC[C@H](NC(=O)CCCC#N)C(C)(C)C 812512733 WQVLCOMMUGUTAZ-ZDUSSCGKSA-N 252.402 3.791 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 814788793 KVTAOKDWTMQPPP-LBPRGKRZSA-N 293.357 3.954 30 20 CHED C=CCN(C(=O)C1=Cc2ccccc2OC1)c1ccccc1 484258839 CEBGVOMZHMNVNL-UHFFFAOYSA-N 291.350 3.682 30 20 CHED C=CC[C@@H]1CCCN(Cc2c(Cl)cccc2C(=O)O)C1 656760689 XQOUCJNNRZUJTJ-GFCCVEGCSA-N 293.794 3.826 30 20 CHED C=CCC1(NCc2ccc(OCCC)cc2)CCOCC1 657633525 WXLJWLAXMQWJLL-UHFFFAOYSA-N 289.419 3.690 30 20 CHED CCCC(=NNc1cccc(F)c1F)c1cccnc1 814858887 GQZBGMYZNQFRGZ-UHFFFAOYSA-N 275.302 3.976 30 20 CHED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC1(C)C 489232935 OKAGWIMXGAUMDC-MRXNPFEDSA-N 299.418 3.526 30 20 CHED C=CCNN=C(C)c1sc(-c2ccccc2)nc1C 814927888 LTSYPFJUWQIADU-UHFFFAOYSA-N 271.389 3.618 30 20 CHED C=C(C)CCc1noc(COC[C@@H](C)c2ccccc2)n1 650599865 GEOQPTKZISMRGS-CQSZACIVSA-N 286.375 3.899 30 20 CHED C=CCn1cccc1C(=O)N1CC[C@@H](c2ccccc2C)C1 489007235 FPSSSKNRSGPXRB-MRXNPFEDSA-N 294.398 3.612 30 20 CHED C=C(CNCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 728712054 UINQQPZJXQDWGX-MRXNPFEDSA-N 292.382 3.780 30 20 CHED C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)[C@@H](C)[C@@H]1C 573942790 ZBTQKJPWHNIKMC-UPJWGTAASA-N 265.360 3.587 30 20 CHED C=CC[C@H]1CCCN([C@@H](C(=O)O)c2cccc(Cl)c2)C1 656759350 DDNZITGXFGPRNP-SWLSCSKDSA-N 293.794 3.754 30 20 CHED CC[C@](C)(C#N)NC(=O)c1coc2ccc(C(C)C)cc12 570505010 VNUOPOAZKPQUJB-QGZVFWFLSA-N 284.359 3.978 30 20 CHED C#CCCOC(=O)c1ccccc1N(C)c1ccccc1 727042151 UTCGKGUZSFQFBN-UHFFFAOYSA-N 279.339 3.635 30 20 CHED CCc1cccc(OCCSc2ccc(C#N)cn2)c1 498158465 ZRAQZNSSIWRSQY-UHFFFAOYSA-N 284.384 3.687 30 20 CHED C=CCCNC(=O)N1CCC2(CCc3ccccc3C2)CC1 661565550 PFJJOMZWTUISRA-UHFFFAOYSA-N 298.430 3.543 30 20 CHED CO[C@@H](C)CC/N=C\c1cc(Cl)cc(Cl)c1O 726429158 JYLDJQWCAZPCRT-IIVQSHCLSA-N 276.163 3.543 30 20 CHED Cc1ccc(C=NNCCCc2ccccc2)cc1 729145687 AFUCSPHPHMVNIZ-UHFFFAOYSA-N 252.361 3.551 30 20 CHED C#CCCOC(=O)/C=C\c1ccc(C(C)(C)C)cc1 727041113 AAPUARBAQWBNMX-XFXZXTDPSA-N 256.345 3.564 30 20 CHED C=C(Cl)CN1CCCN(Cc2ccc(Cl)cc2)CC1 824763129 XQKZFUGXEHFJTC-UHFFFAOYSA-N 299.245 3.600 30 20 CHED CC(CCCCC#N)=NNc1ccc(F)c(F)c1 901317148 DTZOPULPNXPWAS-UHFFFAOYSA-N 251.280 3.837 30 20 CHED COc1ccc(NN=C2CCC[C@H](SC)C2)cc1 901205273 FFFILKRSBUTBTQ-AWEZNQCLSA-N 264.394 3.769 30 20 CHED N#Cc1ccc(F)c(C(=O)N(C2CCCCC2)C2CC2)c1 823307284 YYAJMPHSZPJNSE-UHFFFAOYSA-N 286.350 3.635 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)/C=C\C1CCCC1 493045070 ILEMDCZKJBUWNX-IWMPZKFUSA-N 282.387 3.824 30 20 CHED N#CCc1ccccc1NC(=O)C/C=C/c1ccccc1F 588986462 DXVJDLHWTUVMSV-VMPITWQZSA-N 294.329 3.934 30 20 CHED N#Cc1ncccc1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 589598677 UVKCHGGNOFLVBS-MQMHXKEQSA-N 283.762 3.965 30 20 CHED C=CC[C@@H]1CCCN([C@@H](C)c2nc(CCCC)no2)C1 661379554 ZORBMVDCOAYPDV-UONOGXRCSA-N 277.412 3.761 30 20 CHED CC(C)(CC#N)CNCc1ccc(C(F)F)cc1 580531802 ZZUXWTJYTLPTGE-UHFFFAOYSA-N 252.308 3.654 30 20 CHED Cc1cccc(NN=Cc2occc2Br)c1 735224753 VSDOVIYAFWALNZ-UHFFFAOYSA-N 279.137 3.797 30 20 CHED C#CCCCCC(=O)OCC1CCC(F)(F)CC1 837613681 WAXGDOHNWGTJIX-UHFFFAOYSA-N 258.308 3.549 30 20 CHED C=CCCC(C)(C)NC(=O)Nc1cc(C)c2nccn2c1 667146434 LRNARNFLOFAIOA-UHFFFAOYSA-N 286.379 3.509 30 20 CHED CC[C@H](CC(=O)O[C@H]1CCC[C@H](C#N)C1)C(C)C 839048228 CLYWGBTVTSXSJU-MJBXVCDLSA-N 251.370 3.684 30 20 CHED C=CCCCN(C)C(=O)N[C@H]1CCc2sc(Cl)cc21 581402851 MTPJFWHEDOLUOX-NSHDSACASA-N 298.839 3.996 30 20 CHED C=CC[C@@H](C)NC(=O)/C=C/c1cc(C)c(C)cc1C 735068311 VASIPUVLJJBKHQ-XVJNWHFHSA-N 257.377 3.706 30 20 CHED C=CCC[C@@H](CO)N[C@@H](C)c1cc(C)c(OC)c(Cl)c1 834903421 ICJUERMLQKUMGG-JSGCOSHPSA-N 297.826 3.635 30 20 CHED CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C#CC2CC2)o1 837444820 CAXMRVOVMXZHOA-CJNGLKHVSA-N 285.387 3.555 30 20 CHED C=CCC(F)(F)C(=O)OC[C@@H]1CCCCC1(F)F 835632742 HPYDFPCLJLHSSQ-VIFPVBQESA-N 268.250 3.567 30 20 CHED O=C(/C=C/c1ccccc1Br)c1cncs1 735793178 SBTMRLCZVHURQU-AATRIKPKSA-N 294.173 3.802 30 20 CHED C=CCN(C(=O)NCc1coc2ccccc12)C(C)C 734072003 OVOXPVJIBZEUSS-UHFFFAOYSA-N 272.348 3.539 30 20 CHED CCc1nocc1/C=C1/C(=O)c2cccc(C)c2[C@H]1C 834434208 DAAXCFYRLFGOBS-KYJZABPNSA-N 267.328 3.929 30 20 CHED COc1cccc(C)c1C=NNCCCc1ccccc1 834955550 DWUZBLOQJYIICV-UHFFFAOYSA-N 282.387 3.560 30 20 CHED Cc1nc(C=NNc2ccccc2Cl)c2ccccn12 914601495 SRIQVKRBKZDDHJ-UHFFFAOYSA-N 284.750 3.742 30 20 CHED CC(=NNc1ncc(Cl)cc1Cl)c1ccncc1 916316714 JJNXQVRNSPKSPW-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=CCc1ccccc1OC(=O)c1cc(C)[nH]c1C 916860168 YXIKBZRCQQUMKU-UHFFFAOYSA-N 255.317 3.579 30 20 CHED C[C@@H](C/N=C/c1cc(Cl)ccc1O)N1CCCCCC1 915979934 LPGUJPKBTTVMOC-HTMJNSLASA-N 294.826 3.729 30 20 CHED COc1ccc(C=NNc2ccccn2)c2ccccc12 915943410 BSDXZQQCYNXWGF-UHFFFAOYSA-N 277.327 3.689 30 20 CHED C=CCCOCC(=O)O[C@@H](CC)C(C)(C)c1ccccc1 741949791 HPNCYSXDJAAXPV-INIZCTEOSA-N 290.403 3.879 30 20 CHED C#CCN(C(=O)N[C@H](CC)CCC)C1CCCCC1 744888081 YURMNGIEJIRXGU-CQSZACIVSA-N 264.413 3.543 30 20 CHED CC(=NNc1ccc(C(F)(F)F)cc1)c1ccccn1 746578387 MLUFOSAYOWINNI-UHFFFAOYSA-N 279.265 3.937 30 20 CHED CCCNN=Cc1ccc(F)c(-c2cccs2)c1 917548791 RKEVVAIHQZWBRK-UHFFFAOYSA-N 262.353 3.888 30 20 CHED COCCOCc1cccc(-c2ccc(C#N)cc2C)c1 592986807 QLNGOMXBTDGKLO-UHFFFAOYSA-N 281.355 3.697 30 20 CHED CCC(=NNc1oc(C(C)(C)C)nc1C#N)[C@H]1C[C@@H]1C 841621783 FVUSDSZHGUVFTM-UWVGGRQHSA-N 274.368 3.678 30 20 CHED CCC(=NNc1oc(C(C)C)nc1C#N)[C@H]1C[C@@H]1C 841622565 XNICAWKIEXVPMM-UWVGGRQHSA-N 260.341 3.504 30 20 CHED COCc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1 741842079 DQZBEOFRGPTNIA-NTEUORMPSA-N 282.314 3.795 30 20 CHED COc1cc(C(C)=NNc2ccccn2)ccc1SC 747606897 CVPRIUMZMKXFFN-UHFFFAOYSA-N 287.388 3.648 30 20 CHED C=CCOc1cccc(C=NNc2ncccc2Cl)c1 917549062 HSNWIGRFLQXUDF-UHFFFAOYSA-N 287.750 3.746 30 20 CHED C=C(C)CNc1ccc(Cl)c(C(=O)OCC)c1 917830800 WOSPVDNQPOXQIJ-UHFFFAOYSA-N 253.729 3.505 30 20 CHED C=C(C)C(C)(C)C(=O)N1CCn2c(Cl)ccc2[C@@H]1C 848088208 ZHBHHFPXYOOJNS-NSHDSACASA-N 280.799 3.647 30 20 CHED CCCCN(C(=O)/C=C/c1ccccc1C#N)[C@@H](C)CC 914612119 UMHPXMUKJUWZSK-RUMSDORHSA-N 284.403 3.999 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1ccsc1 915976641 WBHTVSQOWDQJTJ-UHFFFAOYSA-N 281.724 3.756 30 20 CHED C#CCC1(C(=O)OCc2coc(C(C)C)n2)CCCCC1 841259953 WEDXXZPSIRIYST-UHFFFAOYSA-N 289.375 3.815 30 20 CHED C=CCCSCCNC(=S)Nc1c(C)cccc1C 849277597 FBLKRNHGKDLEMX-UHFFFAOYSA-N 294.489 3.899 30 20 CHED Cc1n[nH]c(C)c1/C=C1\Cc2cc(Cl)ccc2C1=O 742436524 BWYGRXBYVOIPCC-YRNVUSSQSA-N 272.735 3.502 30 20 CHED CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 916245145 XKEVRJDSCNUQQT-UHFFFAOYSA-N 287.294 3.960 30 20 CHED COc1ccc(CNN=C(C)c2cc(C)sc2C)cc1 917547132 JITMSDMQAXBRBB-UHFFFAOYSA-N 288.416 3.887 30 20 CHED CC(C)(C#N)Cc1cccc(-c2cccc(CO)c2)c1 592986092 RJEVUGZRBJTOGO-UHFFFAOYSA-N 265.356 3.938 30 20 CHED CCOc1ccc(NC(=O)CCCCCC#N)c(F)c1 591115044 VVBIAJNOKNBKEH-UHFFFAOYSA-N 278.327 3.637 30 20 CHED C=CCC1(C(=O)OCc2ccncc2Cl)CCCC1 842855425 KXAYOMLURHQAHM-UHFFFAOYSA-N 279.767 3.915 30 20 CHED Cc1cccc([C@@H](C)C/N=C/c2cccc(O)c2O)c1 741164859 BQVVKKVNOQZACA-FHXOWUIVSA-N 269.344 3.629 30 20 CHED C=C(C)CNC(=S)NCc1cc(Cl)cc(Cl)c1 849266702 AVTQTZFFZXIRCS-UHFFFAOYSA-N 289.231 3.534 30 20 CHED Cc1ccc(NN=Cc2cc(Cl)c3c(c2)OCO3)cc1 917023209 MPUKKYKLGYLXLN-UHFFFAOYSA-N 288.734 3.823 30 20 CHED C=CCOc1ccc(OC(=O)[C@H](C)OCCC(C)C)cc1 742860439 XBNGSTOAMVHRKC-AWEZNQCLSA-N 292.375 3.608 30 20 CHED C[C@H](C#N)Oc1ccc(CNC[C@@H]2CCC[C@@H]2C2CC2)cc1 840954309 GVKAXGIVPDASNL-DKSSEZFCSA-N 298.430 3.893 30 20 CHED CC[C@@H]1CCCC[C@H]1CNC(=O)CCCCCC#N 590768234 ORMDBEPJEGVJJH-CABCVRRESA-N 264.413 3.793 30 20 CHED C=CCCSCCNC(=O)Nc1ccccc1CC 596639856 BSUIFQABHOHRGH-UHFFFAOYSA-N 278.421 3.680 30 20 CHED C=CCCSCCN[C@@H](C)c1cnn(C(C)(C)C)c1C 595060113 RRMVBSACSWMPIN-ZDUSSCGKSA-N 295.496 3.906 30 20 CHED C[C@]1(C=NNc2nccnc2Cl)C[C@@H]1c1ccccc1 841624148 CFBPXOHJEXUFGN-IUODEOHRSA-N 286.766 3.722 30 20 CHED CCC(C#N)(CC)C(=O)NCC(C)(C)c1cccc(F)c1 599531516 ADIJJJCDZNFSPW-UHFFFAOYSA-N 290.382 3.549 30 20 CHED C=CCOc1ccccc1C(=O)O[C@@H]1COc2ccccc21 746986214 UKJDFDDVRINKIJ-QGZVFWFLSA-N 296.322 3.542 30 20 CHED CCC(=NNc1ncccc1C(F)(F)F)[C@@H]1C[C@@H]1C 841617580 IYPLGIPHWWHVGW-DTWKUNHWSA-N 271.286 3.934 30 20 CHED COCCON=Cc1ccc(-c2ccc(Cl)cc2)o1 748789544 KIGCRTFJUZYNKE-UHFFFAOYSA-N 279.723 3.597 30 20 CHED CCCCCC[C@H](CC)C(=O)NCC1(C#N)CCC1 841466773 FUXUVLLKZCQOOI-AWEZNQCLSA-N 264.413 3.793 30 20 CHED CCC(C#N)(CC)C(=O)Nc1ccc(O)c(C(C)C)c1 922383388 RWKPONVVUKTPOK-UHFFFAOYSA-N 274.364 3.784 30 20 CHED C=C(C)[C@@H](N[C@H](C)c1cn(C)cn1)c1ccc(F)c(F)c1 926205560 GBKQTJRYTNSNSP-BDJLRTHQSA-N 291.345 3.666 30 20 CHED C=CCn1c(C2CCCC2)nnc1N1CCC[C@H]1C(C)C 685548510 GCDUHJDQASZARU-HNNXBMFYSA-N 288.439 3.747 30 20 CHED CC(=Nn1cc(Br)cn1)c1cccc(Cl)c1 752744908 GVTSRNLRMJAFCU-UHFFFAOYSA-N 298.571 3.571 30 20 CHED C#CCCCCNCc1ccc(OCC(C)C)cc1 758496182 CJGKBDKXHSWDNB-UHFFFAOYSA-N 259.393 3.615 30 20 CHED COc1ccc(O)c(/C=N\Cc2ccccc2Cl)c1 920943055 YYQQWNXXKJBMTM-YVLHZVERSA-N 275.735 3.673 30 20 CHED C#C[C@@H](CC)NC(=O)N(CCCC)[C@H](C)c1ccccc1 753247761 OBBXRXHODGOONH-WBVHZDCISA-N 286.419 3.971 30 20 CHED C=CCN(C(=O)[C@@H](CC)Oc1ccccc1C)C(C)C 750178665 JNDWLQJOIIZYNO-OAHLLOKOSA-N 275.392 3.575 30 20 CHED CCCCCC[C@H](CC)C(=O)N1CCC[C@H](C#N)C1 928223522 ZBNPMNXZZBKELS-CABCVRRESA-N 264.413 3.745 30 20 CHED CC[C@@H](C#N)OC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C 753414090 URABHACOANQMMZ-ZFWWWQNUSA-N 289.375 3.731 30 20 CHED C(=NO[C@@H]1CCCCO1)c1csc(-c2cccs2)n1 755815346 RFKQOQXPIPZVRG-GFCCVEGCSA-N 294.401 3.749 30 20 CHED C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C#N)CC(C)C 755843159 ZVZNGUSHFOUUDR-TZIYXEQSSA-N 290.794 3.798 30 20 CHED C[C@H]1CC(OC(=O)c2cc(C#N)cs2)C[C@H](C)C1 752185176 KMNJXXAFOJPKKT-NXEZZACHSA-N 263.362 3.601 30 20 CHED CN(C)c1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1 921263588 HFZJDKZVKMMOOZ-JLHYYAGUSA-N 281.330 3.714 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1ccc(N(C)C)c(F)c1 926810853 ASJTVZNMBSYQJG-NSHDSACASA-N 263.360 3.632 30 20 CHED C=CCCC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 757816377 MIBITHFCCUWADR-AWEZNQCLSA-N 271.360 3.515 30 20 CHED C=C(Cl)C[S@](=O)Cc1cccc(C(C)C)c1 853072856 CKRURULQTHWASC-INIZCTEOSA-N 256.798 3.811 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(N)cc1C 758120641 OREYSPRNGBXJBG-UHFFFAOYSA-N 298.346 3.630 30 20 CHED Cc1cccc([C@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N)c1 851209507 MHZVAHXXIXDKQU-KBPBESRZSA-N 273.376 3.970 30 20 CHED C#CCCCn1nc(-c2cccs2)c2ccccc2c1=O 766742814 CPCMDCYXEWBSGJ-UHFFFAOYSA-N 294.379 3.538 30 20 CHED N#Cc1ccc(/C=C\c2ccc(Cl)nc2Cl)nc1 761474910 AEIDATKVPLDKQU-DJWKRKHSSA-N 276.126 3.825 30 20 CHED O=C(/C=C\c1ccc(F)cc1Cl)c1ccc(O)cc1O 767727772 CDXLDSZUTUFSJU-KXFIGUGUSA-N 292.693 3.786 30 20 CHED c1nc(NN=C2CCCCCC2)c2sccc2n1 764841607 ROCCUESTOZOYHP-UHFFFAOYSA-N 260.366 3.813 30 20 CHED O=C(C#CC1CC1)Nc1cccc(SC(F)(F)F)c1 863619270 VENNCQHGOVKRFR-UHFFFAOYSA-N 285.290 3.650 30 20 CHED C#CCCCNC1(c2cccc(Br)c2)CCC1 766918459 QACFRGOOUMTDCO-UHFFFAOYSA-N 292.220 3.831 30 20 CHED CC[C@H](C)CON=C(C)c1ccc(NC(=O)C2CC2)cc1 764547048 KNJWHFLUNFUYRS-LBPRGKRZSA-N 288.391 3.822 30 20 CHED CC(C)(C#N)CCCCSC[C@H]1CC2(CC2)C(=O)O1 766819988 FMFARWPOTSRKBX-GFCCVEGCSA-N 281.421 3.535 30 20 CHED N#Cc1ccsc1NC(=O)NC[C@@H]1CCCC(F)(F)C1 931837031 HAPUFOIZXYPNCR-SECBINFHSA-N 299.346 3.567 30 20 CHED CC(C)[C@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 768316263 BNNJCZGJBMDQAO-WMLDXEAASA-N 272.392 3.598 30 20 CHED Cc1cccc(C=NNCc2ccc(Cl)cc2)c1 764717321 XZMKBTFIRRUNJX-UHFFFAOYSA-N 258.752 3.772 30 20 CHED C#CCCc1noc(-c2cccc(OCC=C(C)C)c2)n1 762017372 BICIPQMOOUEXFG-UHFFFAOYSA-N 282.343 3.647 30 20 CHED C[C@@H]1C(=NNc2cccc(F)c2Cl)CC[C@H]1CC(=O)O 863158404 AAPVYADBNXDMCN-IUCAKERBSA-N 298.745 3.768 30 20 CHED CC(C)CC1CCN(C(=O)NCc2cccc(C#N)c2)CC1 760736642 NRPMLYLZQCUAKU-UHFFFAOYSA-N 299.418 3.526 30 20 CHED CCCC(CCC)=NNCCc1ccccc1F 764721315 DREVSSQXQZDAGP-UHFFFAOYSA-N 250.361 3.914 30 20 CHED N#CC1(COC(=O)c2ccc(OC3CCCC3)cc2)CCC1 768105900 YLSQGBCTFMTGIP-UHFFFAOYSA-N 299.370 3.859 30 20 CHED CC#CC(=O)Nc1cc(C)ccc1Oc1ccccc1 764607415 NWBQTJINOSJOFH-UHFFFAOYSA-N 265.312 3.749 30 20 CHED CC[C@@H](CC#N)OC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 870310094 SKOPVFPRVJRLSE-AXFHLTTASA-N 277.286 3.591 30 20 CHED C=C(C)CCN1C(=O)S/C(=C/c2cccs2)C1=O 775173235 HUIABCXLDGMILN-DHZHZOJOSA-N 279.386 3.751 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccnn1CC 772966998 QEUPMZYOJRIPSH-UHFFFAOYSA-N 279.428 3.726 30 20 CHED C=CCC[C@@H](NC(=O)c1cc(O)cs1)c1ccccc1 772568202 GYAYOEBANNNNMS-CQSZACIVSA-N 287.384 3.891 30 20 CHED CCC(=NNc1cccc(F)c1)c1ccc(C#N)cc1 773055715 UBKBPXMMHWZNEE-UHFFFAOYSA-N 267.307 3.924 30 20 CHED C=CC(C)(C)CC(=O)NCc1oc2ccccc2c1OC 879708470 LQJPJMXEPCFGEM-UHFFFAOYSA-N 287.359 3.660 30 20 CHED CSc1ccc(C=NN[C@H]2C[C@H]3CC[C@H]2C3)cc1 774595239 ATDNGQBGYWTOLP-YDHLFZDLSA-N 260.406 3.521 30 20 CHED C=C(CC)COC(=O)Cc1c(C)[nH]c2ccccc12 773484185 YRXKFYZRSVOHAV-UHFFFAOYSA-N 257.333 3.528 30 20 CHED C=C(CC)COC(=O)CCCc1sccc1C 773536597 OTWWLTHOSWEOID-UHFFFAOYSA-N 252.379 3.889 30 20 CHED C[C@@H](OC(=O)[C@@H](F)Cc1ccccc1)c1cccc(C#N)c1 778301944 VMZZZJUSZGTWDN-DYVFJYSZSA-N 297.329 3.743 30 20 CHED CCOc1cccc(F)c1CNCC1CCC(C#N)CC1 873122342 QQYBULHLYBVPMZ-UHFFFAOYSA-N 290.382 3.644 30 20 CHED CCSc1ccccc1C(=O)OCCC(C)(C)C#N 776370034 XHGXBZHKHXEBIZ-UHFFFAOYSA-N 277.389 3.895 30 20 CHED Clc1cccc(C2CC(=NN=c3cc[nH]cc3)C2)c1 779811231 NFHXRKLBRFGDGB-UHFFFAOYSA-N 271.751 3.502 30 20 CHED C#CCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 779714744 HKILRVOUFMTGDH-UHFFFAOYSA-N 298.338 3.591 30 20 CHED Cc1ccncc1CCC=NNCc1cccc(Cl)c1 776727051 ZFXYGODIOWFXRT-UHFFFAOYSA-N 287.794 3.752 30 20 CHED C#CCCCCC(=O)OCC(=O)c1cc(C)c(C)cc1C 773631108 RWBPJPJCTYDBDL-UHFFFAOYSA-N 286.371 3.531 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cc3cccc(Cl)c3o2)C1 1122720440 IJJZTGMCHLVLHB-ONGXEEELSA-N 289.718 3.935 30 20 CHED C=C(CNC(=O)c1cc(SC)oc1C)c1ccccc1 1129475583 JSBYSKTXLSOHSO-UHFFFAOYSA-N 287.384 3.753 30 20 CHED N#CC[C@@H](C(=O)OC1CCCCC1)c1ccccc1 1124290166 QLPXZYRIPXITTO-OAHLLOKOSA-N 257.333 3.560 30 20 CHED CC(=NOC[C@H]1CCOC1)c1ccc2ccccc2c1 788034366 QGTXINIEOQANEI-AWEZNQCLSA-N 269.344 3.617 30 20 CHED CCOc1ccc(C=Nc2cc3c(cc2C)OCO3)c(O)c1 781100854 PCAIXZMSVNGYAO-UHFFFAOYSA-N 299.326 3.579 30 20 CHED CC[C@H]1CCC[C@H](C=NN2Cc3ccccc3C2=O)C1 783867543 QNKCMKWTVPUSIN-KBPBESRZSA-N 270.376 3.845 30 20 CHED C=C[C@](C)(CC)C(=O)OCc1nc([C@@H](C)SCC)no1 785759449 LGZAOCGHHCKBHF-QMTHXVAHSA-N 298.408 3.529 30 20 CHED CCCCCCCCCn1ccc2ncncc2c1=O 783086550 ZWAVCOJXLXZPFR-UHFFFAOYSA-N 273.380 3.542 30 20 CHED CSc1c(F)cc(N=Cc2cccc(O)c2O)cc1F 783682043 PSYKHUWSHYABSC-UHFFFAOYSA-N 295.310 3.849 30 20 CHED C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1ccc(F)cc1F 782450126 TWPCGVGPQUDYMX-BDJLRTHQSA-N 298.329 3.798 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cc(-c2ccccc2)ns1 787083829 HSFMVDHCUAAJSX-LBPRGKRZSA-N 286.356 3.659 30 20 CHED C=C[C@@](C)(CC)C(=O)OCc1ccc(-n2ccnc2)cc1 785757916 OWCQGBQKUYVVTJ-KRWDZBQOSA-N 284.359 3.518 30 20 CHED C#CCCCCCC(=O)Nc1nc2cc(C)ccc2n1CC 780030777 CTZXVCIJWHNGIJ-UHFFFAOYSA-N 297.402 3.887 30 20 CHED C=C1CC(c2noc(-c3cccc(NC(=O)C4CC4)c3)n2)C1 896889226 DPEKNUZSJDGVQC-UHFFFAOYSA-N 295.342 3.519 30 20 CHED C=C(Cl)CNC(=O)c1ccc(C)c(Cl)c1Cl 1136865445 MACGWWHBYBNAEA-UHFFFAOYSA-N 278.566 3.784 30 20 CHED CCCC[C@@H]1CCCC1=NNc1ncncc1Cl 780282269 AOQAYJJVWJXIPX-SNVBAGLBSA-N 266.776 3.888 30 20 CHED C[C@@H]1CCCC[C@@H]1C=NNc1nncc2ccccc12 783790503 HLRDTVZVUPJNPE-CHWSQXEVSA-N 268.364 3.854 30 20 CHED CC(=NN[C@@H]1CCCOC1)c1cc2cc(C)c(C)cc2o1 780260132 IHFBASFGXTWWOR-OAHLLOKOSA-N 286.375 3.542 30 20 CHED O=[N+]([O-])c1cc(NN=Cc2cc3ccccc3[nH]2)ccc1F 788440751 KFYCEVCQPNCWOK-UHFFFAOYSA-N 298.277 3.661 30 20 CHED Cc1ccc(-c2[nH]ncc2C=NNC2CCCCC2)cc1 786042397 UUJOAMVBODXBHV-UHFFFAOYSA-N 282.391 3.641 30 20 CHED CC(C)[C@H](F)C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 784507159 RIJIDQKDMKDFDM-CABZTGNLSA-N 294.326 3.606 30 20 CHED Cc1cccnc1NN=Cc1cn(C)nc1C1CCCCC1 790193225 YZKNREWKPFRYIH-UHFFFAOYSA-N 297.406 3.617 30 20 CHED Cc1ccccc1-n1nccc1C=NN[C@@H](C)C(C)(C)C 793110902 CKEGGQAUPQZNPA-AWEZNQCLSA-N 284.407 3.539 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CCCc2c[nH]nc21 793552294 XQTABXJFTBRQSC-HIFRSBDPSA-N 261.413 3.902 30 20 CHED CCCc1ccc(C(=O)/C=C/c2ccoc2C(=O)OC)cc1 797156258 FXGHKBXQVARXIG-MDZDMXLPSA-N 298.338 3.915 30 20 CHED CCOc1ccc(N[C@@H]2CC[C@H](C#N)C2)c2ncccc12 799723828 VAEWVFJGUQGLSL-QWHCGFSZSA-N 281.359 3.738 30 20 CHED C#CCCCC(=O)N1CCC(Cc2ccc(C)c(C)c2)CC1 794536236 VXUWZNGMHDXFSN-UHFFFAOYSA-N 297.442 3.888 30 20 CHED CCC1(CC)CCC(Nc2nc(C)cc(C#N)n2)CC1 1307108836 ALUAMMNNFYEMTN-UHFFFAOYSA-N 272.396 3.818 30 20 CHED CC(C)(CCC#N)COC(=O)c1ncoc1-c1ccccc1 798876312 KNOALHZSZVEBNL-UHFFFAOYSA-N 298.342 3.828 30 20 CHED C#Cc1cncc(C(=O)Nc2ccccc2SC(C)C)c1 798246376 KJPDXIFIFFSEHU-UHFFFAOYSA-N 296.395 3.816 30 20 CHED CCc1ccccc1OC(=O)/C=C\c1ccccc1C#N 799586508 NZNQORQZWAPPKB-QXMHVHEDSA-N 277.323 3.739 30 20 CHED C#C[C@H](CCC)NC(=O)N1CC(C)(C)[C@H]1c1ccccc1 791065915 DBKDFSYSUNLYBZ-HZPDHXFCSA-N 284.403 3.581 30 20 CHED Cc1ccnc(CON=Cc2ccccc2OC(C)C)c1 790490390 NXVJSVPCFOGLDQ-UHFFFAOYSA-N 284.359 3.728 30 20 CHED C=CCC[C@@H](CC)NC[C@@H](O)c1ccc(CC)cc1 797024551 BILNUQTYXIQBEV-IAGOWNOFSA-N 261.409 3.617 30 20 CHED CC(CN1Cc2ccccc2C1)=NNc1cc(C)ccc1F 792635290 QFDGIQPOEXBGQC-UHFFFAOYSA-N 297.377 3.938 30 20 CHED CON(Cc1ccc(C#N)cc1OC(F)F)CC(C)(C)C 796478169 WKZQZJKLQRRKMG-UHFFFAOYSA-N 298.333 3.569 30 20 CHED Cc1ccc2cc(C=NN[C@H](C)C(C)(C)C)ccc2n1 793116587 ZKYVLMUQHQSVQV-CYBMUJFWSA-N 269.392 3.901 30 20 CHED C#CCCCN[C@H]1CCc2sc(Br)cc21 393769171 VCTICDAKIIHSNH-JTQLQIEISA-N 284.222 3.501 30 20 CHED C#C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(C)C 799042662 KPZUGDJITYILLG-DGCLKSJQSA-N 295.835 3.595 30 20 CHED COc1ccccc1CON=C(C)c1occc1C 799119706 QTHHRKZQTDXXAQ-UHFFFAOYSA-N 259.305 3.537 30 20 CHED Fc1ccc(/C=C\C=NNc2ccc(Cl)nn2)cc1F 794860189 JKSFGMINXONWIO-YNXSOUFHSA-N 294.692 3.519 30 20 CHED Fc1cncnc1NN=C1CC(c2ccc(Cl)cc2)C1 793225268 JQEONGWDPKIWKL-UHFFFAOYSA-N 290.729 3.615 30 20 CHED CC(C)[C@H](C=NNc1ncncc1Cl)c1ccccc1 794537487 WNZGDSLBAKMTTN-ZDUSSCGKSA-N 288.782 3.968 30 20 CHED C#CCNC(=O)N(CC(C)C)[C@H](C)c1ccccc1Cl 790618523 ISSZKFISTKDPII-CYBMUJFWSA-N 292.810 3.702 30 20 CHED Cc1ccc(C[C@@H](C)N(C)c2cc(C)c(C#N)cn2)cc1 1162568100 NXJJEMVRCBPCGP-OAHLLOKOSA-N 279.387 3.638 30 20 CHED CC(C)[C@@H](Sc1cccnc1C#N)C(=O)c1ccccc1 1307342881 SELGCEYNLGAMAJ-QGZVFWFLSA-N 296.395 3.953 30 20 CHED Cc1ccc(NCc2ccc(F)c(C#N)c2)cc1F 83429859 IKYJZBWOAKZEKH-UHFFFAOYSA-N 258.271 3.757 30 20 CHED CCCCCCCN1CCCC[C@@H]1CCC(=O)O 88363019 YUMCBFXWBUHPBT-CQSZACIVSA-N 255.402 3.676 30 20 CHED CCOc1cccc(CNc2cc(F)cc(C#N)c2)c1 600862433 WQSYJHAXEHPOIG-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C=C[C@H](COC)N[C@@H](C)c1ccc(-c2ccncc2)cc1 1321242716 YZTBQVPXWSMXQT-KBXCAEBGSA-N 282.387 3.600 30 20 CHED CC(C)C[C@@H](CNc1ccc(Cl)cc1C#N)N(C)C 303184572 ITKHQUZQCDJHSQ-AWEZNQCLSA-N 279.815 3.600 30 20 CHED CCCCCCCCNc1cccc(C(=O)NC)c1 59090605 JBBWCZXSKJNRNV-UHFFFAOYSA-N 262.397 3.819 30 20 CHED C=CCCSCCNc1cncc(Br)c1 596413299 JXEOXLKFIHJCBC-UHFFFAOYSA-N 287.226 3.565 30 20 CHED Cc1sccc1C=NNc1ccc(C(C)(C)C)nn1 1327801061 FJSMQEUBYGJLIG-UHFFFAOYSA-N 274.393 3.590 30 20 CHED CC(Cc1ccccc1Cl)=NNc1cncc(Cl)n1 1329427864 WYJKMGQVXVHXCP-UHFFFAOYSA-N 295.173 3.814 30 20 CHED C=CCCCC(=O)Nc1ccc(C(=O)OCCC)cc1 748516652 GKNHEGBRYYOGLG-UHFFFAOYSA-N 275.348 3.548 30 20 CHED C=CCCC(C)(C)NCc1cncc(Br)c1 657804907 GWKFMPYXUHUAIL-UHFFFAOYSA-N 283.213 3.679 30 20 CHED Cc1cccc([C@@H](C)C(=O)N(O)Cc2ccc(F)cc2)c1 1334069486 AKDYUEMRONHETM-CYBMUJFWSA-N 287.334 3.656 30 20 CHED C=C(C)CCC(=O)N1CCc2cc(OCCC)ccc2C1 1335853965 ATOAOFVXJMVLLR-UHFFFAOYSA-N 287.403 3.716 30 20 CHED CCCCCCCCCCC(=O)N1CC[C@@H](C)[C@@H]1CO 785780162 XYQOLOUJACTYFW-CVEARBPZSA-N 283.456 3.747 30 20 CHED N#C[C@H](OC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C1CC1 1263377252 VJQNPAZFLUPXGL-RRROIERXSA-N 296.153 3.852 30 20 CHED C=C[C@@H](C(=O)N1CCC(C(F)(F)F)CC1)c1ccccc1 1349123138 KHWVUAIYDFCSOM-CQSZACIVSA-N 297.320 3.757 30 20 CHED CO[C@H](CN(CCC#N)CCC(C)C)c1ccc(F)cc1 1191367712 UGSIDZQMLHFJCN-QGZVFWFLSA-N 292.398 3.775 30 20 CHED CC[C@H](C#N)[C@H](OC(=O)C=C(C)C)c1cccs1 1343896162 SMIPCJMTXDMVCY-RISCZKNCSA-N 263.362 3.848 30 20 CHED C/C(C=NOC(C)(C)C)=C\c1cccc([N+](=O)[O-])c1 1343421050 HKVFHKWCACFKPS-NVVJJCHSSA-N 262.309 3.799 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCc1cccc(OCC#N)c1 1350145629 LVHUFQGUFYCTTO-WMZOPIPTSA-N 284.403 3.813 30 20 CHED N#C[C@@H](C(=O)c1ccc(C(F)F)cc1)c1cccc(F)n1 1516711459 UQHKJLLGBSNMAN-LLVKDONJSA-N 290.244 3.648 30 20 CHED CC(C)C[C@]1(C)CCCN1C(=O)c1ccc(C#N)cc1F 1526342342 FPGKBQXGHNLPSD-KRWDZBQOSA-N 288.366 3.738 30 20 CHED Cc1ccc(CN(C)C(=O)c2ccc(F)c(C#N)c2)cc1C 1528529249 CQPTWOIVQIHWNG-UHFFFAOYSA-N 296.345 3.586 30 20 CHED N#Cc1cccc(C#N)c1Oc1cnc2c(F)cccc2c1 1458499419 NJPKXYFFFRRTJU-UHFFFAOYSA-N 289.269 3.910 30 20 CHED N#Cc1ccc(NC(=O)c2cc3ncccc3o2)c(Cl)c1 1534931596 JLDKTGLJHALBEQ-UHFFFAOYSA-N 297.701 3.605 30 20 CHED CN(C)c1ccc(F)cc1CN(CCC#N)CC(C)(C)C 1474340035 UJOLIINJIHECJQ-UHFFFAOYSA-N 291.414 3.653 30 20 CHED CCCC[C@@H](CC)C(=O)Nc1cc(C#N)c(F)cc1F 1532499953 UEXQZYOSCPDLEC-SNVBAGLBSA-N 280.318 3.991 30 20 CHED CC(C)(C)c1ccc(C#N)c(OC/C(Cl)=C\Cl)n1 1614548446 RZLRKKAAZGOOLA-UXBLZVDNSA-N 285.174 3.949 30 20 CHED CCCC[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(C)C 1543408412 YTMNKPVDDFLGFL-ZDUSSCGKSA-N 298.390 3.835 30 20 CHED C[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@H]1C[C@H]2CC[C@H]1C2 1559063550 YPNQFIBKJIZDTP-NOOOWODRSA-N 275.783 3.843 30 20 CHED N#Cc1cnc(N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)c(F)c1 1639404225 ZGGLAVDBLYLWNA-HNKHHVNMSA-N 299.393 3.887 30 20 CHED CCCN(Cc1ccc(C)cc1)c1ncc(C#N)cc1F 1642412821 SOCPEELNAIHINE-UHFFFAOYSA-N 283.350 3.817 30 20 CHED CCc1c(Nc2cc(C#N)nc(C)n2)cnn1C(CC)CC 1642654587 ZXWTYRYTWZXGOP-UHFFFAOYSA-N 298.394 3.520 30 20 CHED CCN(CCOc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1C 1645287171 JLGNCRHPYMKQFH-CRAIPNDOSA-N 286.419 3.838 30 20 CHED Cc1nsc(Oc2cnc3c(F)cccc3c2)c1C#N 1652073619 NYKQFRLAGXSMGQ-UHFFFAOYSA-N 285.303 3.803 30 20 CHED CC(C)[C@@H](Cc1ccccc1)NCCC(C)(C)C#N 1655584360 OVJWSGZVAVGPBT-MRXNPFEDSA-N 258.409 3.783 30 20 CHED CC(C)(C)c1coc(NC(=O)[C@H](CC#N)c2ccccc2)n1 1585109886 LXLXOTLFYDDABZ-CYBMUJFWSA-N 297.358 3.608 30 20 CHED Cc1cc(C)cc(N(C)C(=O)Nc2ccc(F)c(C#N)c2)c1 1666734012 ZTHWXQPSNFLDIV-UHFFFAOYSA-N 297.333 3.983 30 20 CHED CC(=NNc1ccccc1C(=O)O)C1CC2(CCC2)C1 1776032140 OZJKYCORLXRZQT-UHFFFAOYSA-N 272.348 3.753 30 20 CHED Cc1ccc([C@H](C)C=NNc2ccc(CC(=O)O)cc2)cc1 1776085476 PFHLMIIKENVHEP-CQSZACIVSA-N 296.370 3.824 30 20 CHED C=C(Cl)Cn1c(C2CCC2)nnc1N1CCC(C)CC1 1690342216 FPEBWGOBCJZKRG-UHFFFAOYSA-N 294.830 3.534 30 20 CHED C=CCC(CC=C)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 150895160 UKCBEYWQCMWEAM-CQSZACIVSA-N 290.432 3.787 30 20 CHED C=CCN(C)C(=O)CCCOc1cccc2ccccc12 161762841 QYGSIGCTMJZAPB-UHFFFAOYSA-N 283.371 3.643 30 20 CHED CCCN(CCC)Cc1ccc(O[C@@H](C)C#N)cc1 158048777 WXVCLLIWGUOLKQ-AWEZNQCLSA-N 260.381 3.599 30 20 CHED Cc1ccccc1CN(C)Cc1ccc(O[C@@H](C)C#N)cc1 160520055 NUXZAPDCGQAOQQ-INIZCTEOSA-N 294.398 3.918 30 20 CHED C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CC1 163923771 ZONMYACDDWGXKC-MRVPVSSYSA-N 254.255 3.787 30 20 CHED N#Cc1cc(NCc2cccc(O)c2)ccc1C(F)(F)F 165892122 NTXLUQGTJMDXTF-UHFFFAOYSA-N 292.260 3.895 30 20 CHED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H](C)C1 152721676 ZVBNJHQFAGRXCN-QAPCUYQASA-N 296.414 3.899 30 20 CHED C#CCCCCNC(=O)N1CCc2ccccc2[C@@H]1CC 155119796 WRZRCVBKXZTYFS-KRWDZBQOSA-N 284.403 3.509 30 20 CHED C=C(C)CNC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 156882699 DCVQLQVNYRUALO-LBPRGKRZSA-N 295.452 3.853 30 20 CHED CCCCCCCCCC(=O)NCc1ncccc1F 156986666 KRRWTODJHCJTSE-UHFFFAOYSA-N 280.387 3.978 30 20 CHED N#Cc1cc(F)ccc1N1CCCc2ccccc2C1 111036724 XBFHCTDZECAQFS-UHFFFAOYSA-N 266.319 3.650 30 20 CHED Cc1cc(C#N)ccc1N1CCC(C(F)(F)F)CC1 203647223 QZTIRZMXVGXPFO-UHFFFAOYSA-N 268.282 3.645 30 20 CHED Cc1ccccc1CNc1c(F)cc(C#N)cc1F 109810651 QLYIYSLHIGWHGO-UHFFFAOYSA-N 258.271 3.757 30 20 CHED Cc1cc(C)nc(SCc2ccc(C#N)cc2)c1 229851991 FZNRPQDMHFWVHN-UHFFFAOYSA-N 254.358 3.862 30 20 CHED N#Cc1cccc(CNc2cc(F)c(F)cc2F)c1F 230055405 RFCLGDIHTCJOEG-UHFFFAOYSA-N 280.224 3.727 30 20 CHED C=CCC[C@H](C)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 230660277 ABAKYXWIWYCHLL-LSDHHAIUSA-N 296.455 3.578 30 20 CHED CC(C)(C#N)CCCCOc1ccc([N+](=O)[O-])c(F)c1 232520967 YBCBNTODQPHJJK-UHFFFAOYSA-N 280.299 3.833 30 20 CHED CC[C@@H]1CC[C@@H](C)N1CCCOc1ccc(C#N)cc1 124621765 AFCYMYXNXWDEHQ-GDBMZVCRSA-N 272.392 3.590 30 20 CHED Cc1cccc(C[S@](=O)CCCCC(C)(C)C#N)c1 235787205 OIRDPEPCVUTTTD-LJQANCHMSA-N 277.433 3.964 30 20 CHED Cc1cc(C#N)ccc1CN[C@@H]1CC[C@H](C)C[C@H]1C 253309760 SZFDNIMYJMLTMR-DXCKQFNASA-N 256.393 3.781 30 20 CHED CC[C@@](C)(C#N)NC(=O)c1sc2cccc(F)c2c1C 162078858 LIVFLOFAWLEQSY-HNNXBMFYSA-N 290.363 3.771 30 20 CHED CN(Cc1cccc(Cl)c1)Cc1cccc(C#N)c1 42267247 ODZDLEBCMBEFGU-UHFFFAOYSA-N 270.763 3.844 30 20 CHED CC(C)CCN(Cc1cc(C#N)ccc1F)C1CC1 44898536 KSLIJGKBPJBTEL-UHFFFAOYSA-N 260.356 3.708 30 20 CHED C[C@@H]1CC[C@H](NCc2ccc(F)c(C#N)c2)[C@H](C)C1 300419704 LCWGXVPTNCUPPT-HSMVNMDESA-N 260.356 3.612 30 20 CHED Cc1cc(F)ccc1NCc1ccc(C#N)c(F)c1 190318135 SIEZJDGIWMRBAZ-UHFFFAOYSA-N 258.271 3.757 30 20 CHED N#CCOc1cccc(CNCc2ccsc2Cl)c1 312774490 WKPMOZUSEWUVSW-UHFFFAOYSA-N 292.791 3.594 30 20 CHED CCC[C@@H](C#N)NC(=O)CCSc1ccc(C)c(C)c1 535513913 IWCDTWMPZLYFEV-AWEZNQCLSA-N 290.432 3.594 30 20 CHED C=CC[C@@H]1CCCC[C@H]1NC[C@H]1CC12CCOCC2 657979563 IXOKODLQRZTGAY-BZUAXINKSA-N 263.425 3.528 30 20 CHED Cc1c(Cl)cc(NCCO[C@H](C)C#N)cc1Cl 690263141 XJAXKBNKEGKOKR-MRVPVSSYSA-N 273.163 3.642 30 20 CHED CSc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1 720284320 RIMBEYYQYXTVHS-UHFFFAOYSA-N 286.331 3.672 30 20 CHED CCc1cccc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 7240918 GJRMPHACFORPKA-ZDUSSCGKSA-N 293.370 3.560 30 20 CHED O=C(/C=C/c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 7740464 WNMAXPMMRKSRKX-FNORWQNLSA-N 289.237 3.769 30 20 CHED C=CCNC(=O)c1cccnc1Sc1ccc(C)cc1C 25319421 BKDKLMRXMDCFFP-UHFFFAOYSA-N 298.411 3.765 30 20 CHED Cc1ccc2[nH]c(C(=O)Nc3cccc(C#N)c3)cc2c1 29108597 ZWZPRQYJPGPRIA-UHFFFAOYSA-N 275.311 3.600 30 20 CHED CN(Cc1cccc(Cl)c1)C(=O)c1cccc(CC#N)c1 42276982 WWTFAEUVPGFFCA-UHFFFAOYSA-N 298.773 3.678 30 20 CHED N#Cc1ccccc1CSc1ncccc1Cl 43895822 JRBHQFOJVBPACL-UHFFFAOYSA-N 260.749 3.899 30 20 CHED Cc1ccccc1C1=NN/C(=N\c2ccccc2)SC1 48640232 NLFGIMLUNWLZSC-UHFFFAOYSA-N 281.384 3.723 30 20 CHED CC(C)CN(CCC#N)Cc1ccccc1Cl 49800734 BMJHSZZOJAZHQF-UHFFFAOYSA-N 250.773 3.712 30 20 CHED N#Cc1cc(NC(=O)c2cccc(F)c2F)ccc1Cl 54207299 OBLRLUBUJRBKBF-UHFFFAOYSA-N 292.672 3.742 30 20 CHED CCCN(CC#N)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 56485162 YNERCVLAFQXDLL-UHFFFAOYSA-N 297.402 3.841 30 20 CHED C=CCNC(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 58555896 MFRNJPBONSDIME-CVEARBPZSA-N 272.392 3.540 30 20 CHED C[C@H](NCc1cccc(OCC#N)c1)c1ccsc1 61361415 UDQSGSRAQSIFJH-LBPRGKRZSA-N 272.373 3.501 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CCC(C)(C)c2ccccc21 63566372 XTHXAQBLZSYDTK-OAHLLOKOSA-N 288.460 3.839 30 20 CHED CC(C)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 71029243 JQGHTPTZMXNTGV-OAHLLOKOSA-N 274.383 3.955 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1C(F)(F)F 73849025 ONZUGHHHWAVKHA-UHFFFAOYSA-N 287.281 3.627 30 20 CHED C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H]1C 78335202 HWWLJBNQJMKVRW-VHSXEESVSA-N 283.297 3.597 30 20 CHED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1nccs1 80263176 WUNXFDASIRNNBP-SMDDNHRTSA-N 271.389 3.817 30 20 CHED CN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 81525293 LRJPTMGBIPXGBW-ZWKOTPCHSA-N 296.414 3.700 30 20 CHED CC[C@@H](C)[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 86037505 YTPAAIFCNWFRTM-QBBMROGASA-N 256.393 3.635 30 20 CHED N#Cc1ccc(-c2csc(C3CCOCC3)n2)cc1 87812426 MCTYGWNBWMISPA-UHFFFAOYSA-N 270.357 3.576 30 20 CHED C=CCC[C@@H](CCC)NCc1ccc([S@@](C)=O)cc1 90221187 VUPRRBYEHQVWHN-BEFAXECRSA-N 279.449 3.649 30 20 CHED C[C@H](N(C)Cc1ccc(N(C)CCC#N)cc1)C1(C)CC1 91900741 GUVZZMVBBILRGO-HNNXBMFYSA-N 285.435 3.657 30 20 CHED CCCN(CC#N)Cc1ccc(OC(F)F)c(Cl)c1 92398548 STUMQAIXMHOPGO-UHFFFAOYSA-N 288.725 3.677 30 20 CHED Cc1ccc(C(=O)/C=C\c2ccc(C(=O)O)cc2)c(C)c1 98053808 XBHXBONLOUZWIX-POHAHGRESA-N 280.323 3.898 30 20 CHED C=C(Br)CNc1ccnc2ccccc12 110307788 GUFRJBBNXVDBHJ-UHFFFAOYSA-N 263.138 3.555 30 20 CHED N#Cc1cc(F)c(NCCc2cc(F)cc(F)c2)c(F)c1 111145004 QAQCZMGMWDHENZ-UHFFFAOYSA-N 294.251 3.769 30 20 CHED N#Cc1ccc(Oc2cc(F)ccc2F)c([N+](=O)[O-])c1 114410108 HLNCJXWEVOKLGC-UHFFFAOYSA-N 276.198 3.537 30 20 CHED Cc1cccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1C 116813949 LDRDZWFVSVRPST-YVEFUNNKSA-N 270.376 3.506 30 20 CHED CCCCCC[C@@H](C)CC(=O)Nc1ccn(CCC#N)n1 117713718 AMEQKKUQWPJOSZ-CQSZACIVSA-N 290.411 3.732 30 20 CHED CCOc1ccc(Oc2ccccc2NC(=O)CC#N)cc1 119222291 VZVHWZHGUHGNES-UHFFFAOYSA-N 296.326 3.730 30 20 CHED C#CCCCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C 120227470 OBABBZFCGZVAPA-KRWDZBQOSA-N 289.394 3.703 30 20 CHED CCC[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)C(C)C 120697267 MMUWDKXACQIFOM-HUUCEWRRSA-N 264.413 3.647 30 20 CHED C=CCN(CCc1ccccc1)C(=O)CC(C)(C)C 121361594 VACFPGOCZUCIHN-UHFFFAOYSA-N 259.393 3.680 30 20 CHED CCCCN1Cc2cccc(N[C@@H](C#N)CC)c2C1 122228731 VKDSLPPGATXMQP-CQSZACIVSA-N 257.381 3.516 30 20 CHED C=CCC[C@H](NC(=O)Cc1ccccc1O)c1ccccc1 123071669 PLLXQPTVAWGVAF-KRWDZBQOSA-N 295.382 3.758 30 20 CHED C=CCN(Cc1csc(Br)c1)C1CC1 125196895 HXLQGCFKPAKKSQ-UHFFFAOYSA-N 272.211 3.661 30 20 CHED CC(C)(C#N)CCN(Cc1ccc(F)cc1)CC1CC1 131616387 RKMANOTVLMGZPF-UHFFFAOYSA-N 274.383 3.978 30 20 CHED CCc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1 133242351 LETRSFRCNUOVRI-UHFFFAOYSA-N 286.281 3.651 30 20 CHED CC#CCN[C@H](c1ccccc1)c1ccc(F)cc1 135020802 ZHQCJBHXYODORW-QGZVFWFLSA-N 253.320 3.528 30 20 CHED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)OCCC(C)C 148126829 UTURLXMUOALWCK-MRXNPFEDSA-N 289.419 3.652 30 20 CHED CC(C)N(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 148796969 OKWFWZKXAKNRJT-BZUAXINKSA-N 276.424 3.744 30 20 CHED CSc1cc(C)ccc1CNC(=O)c1ccc(C#N)cc1 151202369 WTRJGARSJAAOHT-UHFFFAOYSA-N 296.395 3.519 30 20 CHED C=CCCCCCN(C)C(=O)NCc1ccccc1 153293729 FLVXHUUBEBETFG-UHFFFAOYSA-N 260.381 3.574 30 20 CHED CCN(C(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 153856762 KXOJTMZSYRBACN-UHFFFAOYSA-N 286.281 3.503 30 20 CHED C=C(C)CSc1nnc(-c2ccc(F)cc2)n1CC 155029190 JAVDZOQVPCSEQZ-UHFFFAOYSA-N 277.368 3.772 30 20 CHED C=C(C)CSc1nnc(-c2ccncc2)n1CC(=C)C 156097801 MYJIJQVIMZGYHN-UHFFFAOYSA-N 286.404 3.584 30 20 CHED C#CCCCCNC(=O)C(C)(C)Cc1cccc(Cl)c1 156192114 YPESKDUHIMMWCT-UHFFFAOYSA-N 291.822 3.828 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCc2cccc(F)c2C1 157985194 YEGYFLWYTFURTA-ZDUSSCGKSA-N 280.346 3.817 30 20 CHED N#CCC[C@@H](/N=C/c1ccccc1O)c1ccccc1 158261068 UDODJTJPFOSUDW-CXDFQFJYSA-N 264.328 3.856 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCc3ccc(F)cc32)n1 161325327 LNUBHMPNSBVUPO-OAHLLOKOSA-N 267.307 3.500 30 20 CHED Cc1ccc(C#N)c(NC[C@H](c2cccnc2)C(C)C)n1 161762610 YOSHQQBOEXQVJU-INIZCTEOSA-N 280.375 3.508 30 20 CHED CN(Cc1ccoc1)c1ccc(C(F)(F)F)c(C#N)c1 164428682 AVVFSDBOYUPNPB-UHFFFAOYSA-N 280.249 3.806 30 20 CHED N#Cc1c(Br)cccc1NC(C1CC1)C1CC1 168496742 IHAZJUKWRGJGBN-UHFFFAOYSA-N 291.192 3.921 30 20 CHED C=CCCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 171425557 ZKHXWDLAWITNRN-LBPRGKRZSA-N 281.808 3.959 30 20 CHED Cc1cccc2nc(CSc3ccccc3C#N)cn12 173706396 YTSXPLIIKOAYDD-UHFFFAOYSA-N 279.368 3.807 30 20 CHED C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H](C)c2cccc(F)c2)C1 173794283 WPPPNVWKLMAYIA-DCGLDWPTSA-N 288.366 3.518 30 20 CHED C=CCCCC(=O)N1CCC[C@@H]1CCc1ccccc1 175363284 GHHWONFUDKJMOT-QGZVFWFLSA-N 271.404 3.967 30 20 CHED C[C@H](OC(=O)CCOc1ccccc1)c1ccc(C#N)cc1 175789805 JKGLKKHYLCLCJB-AWEZNQCLSA-N 295.338 3.632 30 20 CHED C=CC[C@H](C)NC(=O)[C@@H](C)c1ccc(Cl)s1 176615743 BQLLEFIWCHBVTA-IUCAKERBSA-N 257.786 3.586 30 20 CHED Cc1ccc(CNCc2ccc(C#N)s2)c(C)c1 176950894 AYARJBPLWWVTPQ-UHFFFAOYSA-N 256.374 3.526 30 20 CHED C=C[C@@H](CC(=O)N[C@H]1CC=CCC1)c1ccccc1 179502534 ONSUSYKAFNIJSE-HOCLYGCPSA-N 255.361 3.571 30 20 CHED C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C 179769726 DRSHRGNMTFUEDW-QWRGUYRKSA-N 291.782 3.864 30 20 CHED C#CCCCCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 180277731 COUAJUKRASMMDH-YOEHRIQHSA-N 287.378 3.929 30 20 CHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)O/N=C1/CCCOCC1 180485642 IRURICMOOKRYMV-CZWGUHTPSA-N 292.335 3.537 30 20 CHED C=C(C)CN(C)C(=O)c1cc(C)c(C)cc1Cl 181128008 FMDWPGYYUJIBGQ-UHFFFAOYSA-N 251.757 3.605 30 20 CHED CCCCCc1nnc(NCc2ccc(C#N)s2)s1 181546701 XEKWGMSGWNFSJE-UHFFFAOYSA-N 292.433 3.816 30 20 CHED C[C@@H](CN[C@H](C)c1cccc(C#N)c1)Oc1cccc(F)c1 181827158 RNVKGAQNRCGWIV-UONOGXRCSA-N 298.361 3.815 30 20 CHED Cc1nnc(SCCCSCC(C)C)c(C#N)c1C 182726853 FCLOMTMSZKGUKG-UHFFFAOYSA-N 295.477 3.837 30 20 CHED CCC[C@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 183042310 YKZQRBDZEROFNT-KRWDZBQOSA-N 284.403 3.672 30 20 CHED CC[C@H](CC#N)NC(=O)C[C@@H](c1ccccc1)C(C)C 183863086 BQVMDCMPRRHDDC-HZPDHXFCSA-N 272.392 3.625 30 20 CHED CC#CCCCC(=O)Nc1nc2ccccc2n1CCC 184927234 CECKFRGVKXLIFJ-UHFFFAOYSA-N 283.375 3.578 30 20 CHED Cn1c(C2CC2)nc2cc(N[C@H]3CCC[C@H](C#N)C3)ccc21 185890503 ITAXZFDXRRFQLL-JSGCOSHPSA-N 294.402 3.945 30 20 CHED CC[C@@H](C)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187293886 KHBMSNGZLUMWFX-VEAWUBTESA-N 264.413 3.647 30 20 CHED C=CCC[C@H](C(=O)Nc1cc(CC)nn1C)c1ccccc1 188047341 ATGOECNPGURQOD-INIZCTEOSA-N 297.402 3.671 30 20 CHED COc1ccc(CNc2ccsc2Cl)cc1C#N 189530075 CHTQFQXRHLREHA-UHFFFAOYSA-N 278.764 3.894 30 20 CHED C=CCC1(C(=O)Nc2ccc(OCC)c(OC)c2)CCC1 190658915 MDTCWNOTWZRJPQ-UHFFFAOYSA-N 289.375 3.779 30 20 CHED CC(C)(C#N)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 191326624 PUNCOLWSBLFMEH-UHFFFAOYSA-N 275.110 3.621 30 20 CHED C[C@@H](CC#N)N(C)CCc1cc(Cl)cc(Cl)c1 194638754 UZPSAJJWVOOPAS-JTQLQIEISA-N 271.191 3.770 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccc(CC#N)cc2)c1F 213301787 MGQWZSKGQSAQQH-UHFFFAOYSA-N 286.281 3.592 30 20 CHED COc1ccc(CNc2ccc(C#N)c(Cl)c2)c(F)c1 229737447 OGOGUVUSQJACMI-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1ccc(C#N)c(Oc2cnc3ccccc3c2)n1 230216019 ODGMGUVWEPMTDV-UHFFFAOYSA-N 261.284 3.602 30 20 CHED C[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(C#N)cc1 248380972 RSIYFPSMWWFFJY-NQZOLGFYSA-N 282.387 3.562 30 20 CHED N#C[C@@H]1CCC[C@H](N[C@H]2CCCOc3ccccc32)C1 248862192 PUXSIKXMMQYGPA-YCPHGPKFSA-N 270.376 3.572 30 20 CHED COc1ccccc1C=NOCc1cccc2cccnc12 254400022 JLEYEYUWGWPJHW-UHFFFAOYSA-N 292.338 3.794 30 20 CHED C=C(C)COc1cc(/C=C\c2ccncn2)ccc1OC 254929938 CMDKYPGQGNQDPW-XQRVVYSFSA-N 282.343 3.611 30 20 CHED COc1cccc(C=Nc2cccc(SC)c2)c1O 255277941 ZQVLSPSOYSCBHF-UHFFFAOYSA-N 273.357 3.873 30 20 CHED CCOc1c(Cl)cc(C=NOC(C)C)cc1OC 255389499 PSZZROZFYDADTN-UHFFFAOYSA-N 271.744 3.506 30 20 CHED COc1ccc(CON=Cc2ccc(F)cc2)cc1F 255556405 RVVMXOVHHBVFKI-UHFFFAOYSA-N 277.270 3.524 30 20 CHED CC(C)CCN(CCC#N)C(=O)/C=C/c1ccsc1 264137010 ZRPCGDSKDUXDKU-SNAWJCMRSA-N 276.405 3.550 30 20 CHED CCC[C@]1(C)CCCN(C(=O)c2ccc(CC#N)cc2)C1 270333009 MDVALWXJCUZTLW-GOSISDBHSA-N 284.403 3.795 30 20 CHED Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)C2(CCC2)C1 271495679 GCKAQQIFOUFCHY-AWEZNQCLSA-N 297.402 3.911 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C#N)cc1Cl 272548774 LXAHTGLPHOSMFO-VHSXEESVSA-N 264.756 3.832 30 20 CHED CC#CCCCC(=O)N(C)c1ccc(SC)cc1 274324150 GVPLKUGWRWWTSP-UHFFFAOYSA-N 261.390 3.565 30 20 CHED C#CCN(CC)C(=O)Nc1ccc2oc(C)c(C)c2c1 274918591 STKJGIYTHZMIJL-UHFFFAOYSA-N 270.332 3.537 30 20 CHED C=CCCN(C)[C@H](C)c1nc(O)c2c(C)c(C)sc2n1 276454373 PXCQCKBIYSNGPA-SNVBAGLBSA-N 291.420 3.583 30 20 CHED C=CCC1(C(=O)Nc2ccc(-c3csnn3)cc2)CCC1 276929047 YYFBFPCJTAXAMC-UHFFFAOYSA-N 299.399 3.890 30 20 CHED C#CCN(C)C(=O)Nc1c(CC)ccc(Cl)c1CC 278554981 HTWATAGNVSVJHT-UHFFFAOYSA-N 278.783 3.562 30 20 CHED N#C[C@@H]1CCC[C@H](NCc2coc3ccccc23)C1 278780752 PSVQOHYCORINKA-OCCSQVGLSA-N 254.333 3.605 30 20 CHED C=CC[C@H](CC)NC(=O)N1CCC[C@H]1c1cccs1 281402742 PSAAMMVWSWPUHL-STQMWFEESA-N 278.421 3.949 30 20 CHED C=CCCCC(=O)Nc1ccc(OC(F)F)cc1F 282760263 NFULQGCEHBFNKS-UHFFFAOYSA-N 273.254 3.722 30 20 CHED C[C@]12CCN(Cc3cccc(C#N)c3)C[C@@H]1C2(Cl)Cl 283950364 ANJJYUWCRMZXDE-KBPBESRZSA-N 295.213 3.574 30 20 CHED N#Cc1ccc(NC2CC2)c(NC(=O)C2=CCCCC2)c1 286019313 RQFXWEBNKWCEAP-UHFFFAOYSA-N 281.359 3.571 30 20 CHED Cc1cc(NC(=O)NCCCCC#N)c(Cl)cc1F 287682627 YXWPTBRZVYGHJD-UHFFFAOYSA-N 283.734 3.603 30 20 CHED C#Cc1ccccc1CC(=O)N(C1CC1)[C@@H](C)c1ccco1 291577830 VZZJMWVEQSXJQS-AWEZNQCLSA-N 293.366 3.556 30 20 CHED N#CCCCC(=O)Nc1nc2ccccc2n1C1CCCC1 292096460 KRPJOPMOXHEUAL-UHFFFAOYSA-N 296.374 3.784 30 20 CHED C=CCC(C)(C)CN[C@H](c1ccccc1)c1ncc[nH]1 293586926 CJUQJYBXXPHZHY-OAHLLOKOSA-N 269.392 3.691 30 20 CHED N#C[C@@H]1CC[C@@H](Sc2nnc(Cc3cccs3)o2)C1 296005172 NDIVMTYBWOFPHT-MWLCHTKSSA-N 291.401 3.506 30 20 CHED C[C@@H](CCC#N)N(C)CCc1ccc(Cl)cc1 299447286 YTKQSHAPCIPRDP-LBPRGKRZSA-N 250.773 3.507 30 20 CHED CO[C@@H](CNc1cc(Cl)ccc1C#N)C(C)(C)C 301444026 XGHGHBQTJDOITB-ZDUSSCGKSA-N 266.772 3.685 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)Nc1ccc(C#N)nn1 302003868 RPLAISQBFKROCM-ZDUSSCGKSA-N 280.375 3.517 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2)C1 303781679 CXORQMIKALLUNI-JSGCOSHPSA-N 271.364 3.649 30 20 CHED CSCCCCCCNc1cc(C)nc(C#N)c1 308275768 MRTBSMYVBOVFNK-UHFFFAOYSA-N 263.410 3.597 30 20 CHED C=CCC(C)(C)CN[C@H](C)c1cc(OC)ccc1OC 312553317 NUPNDEFICHYGSE-CYBMUJFWSA-N 277.408 3.957 30 20 CHED N#CCc1cccc(N[C@@H]2Cc3ccc(Cl)cc3C2)c1 313427574 MTLSVKYWRNSIDN-QGZVFWFLSA-N 282.774 3.985 30 20 CHED CC[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 313439451 CATRPKHDZCAXHE-KRWDZBQOSA-N 278.355 3.885 30 20 CHED C[C@]1(C/N=C(/O)CC/C(O)=N/C2CCCC2)CCCS1 328770412 ADFSGIYEDBIYRS-OAHLLOKOSA-N 298.452 3.908 30 20 CHED C/C(O)=N/C1(c2noc([C@H]3C[C@@H]3C3CC3)n2)CCCCC1 328804817 BTBKNWYSFOSHMZ-OLZOCXBDSA-N 289.379 3.719 30 20 CHED Cc1csc(N=C(O)c2coc(C3CCCC3)n2)n1 328832104 VOZONRJEOXKHRZ-UHFFFAOYSA-N 277.349 3.733 30 20 CHED C[C@H]1C[C@@H](C(O)=Nc2c[nH]nc2-c2ccccc2)CCC1=O 328928939 GWCDWRDAGWGQHW-AAEUAGOBSA-N 297.358 3.670 30 20 CHED CC(C)c1scnc1N=C(O)[C@H]1CCC(=O)[C@H](C)C1 329578008 KLTVDAIEEITBAO-ZJUUUORDSA-N 280.393 3.860 30 20 CHED N#CC1(C(=O)Nc2ccc3c(c2)CCCC3)CCCCC1 332648438 YUGAMTVHMBNHTK-UHFFFAOYSA-N 282.387 3.978 30 20 CHED Cc1cscc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 334195013 KARBPWHMTZNCAB-ZDUSSCGKSA-N 290.775 3.705 30 20 CHED CC(C)(C#N)CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 334224719 HJYMKWFVIXCIGR-CYBMUJFWSA-N 276.767 3.553 30 20 CHED C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(C#N)ccc1Cl 334398995 DQBZSUUZRITOQO-LLVKDONJSA-N 288.778 3.616 30 20 CHED Cc1oc2ccccc2c1CN[C@@H]1CC[C@H](C#N)C1 334546527 BQLKECWXIRWYJA-QWHCGFSZSA-N 254.333 3.523 30 20 CHED Cc1cc(CN2CCC[C@H]2c2c(C)n[nH]c2C)ccc1C#N 334583013 PLHSQSDAVACMOC-KRWDZBQOSA-N 294.402 3.544 30 20 CHED C=C1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 336335340 FPIAPIAQAGEIDN-NSHDSACASA-N 275.377 3.511 30 20 CHED CC1(CNc2cc(C#N)ccc2C(F)(F)F)CC1 337248595 LAHIKZYSWFYPGR-UHFFFAOYSA-N 254.255 3.789 30 20 CHED CCC[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)c1ccccn1 339225327 HJHFZFSZLLYVFO-NVXWUHKLSA-N 299.418 3.554 30 20 CHED COc1ccc(CNc2ncccc2C(C)C)cc1C#N 341949006 KXEQFUDXKHWTAX-UHFFFAOYSA-N 281.359 3.697 30 20 CHED N#Cc1ccnc(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 343043835 UFFAGQCYMDZKJL-GDBMZVCRSA-N 281.334 3.841 30 20 CHED CSCC[C@@](C)(C#N)NC(=O)CC1CCC(C)(C)CC1 344708555 PUWVRIPOXLSHDV-INIZCTEOSA-N 296.480 3.744 30 20 CHED C=CCCCCCN(C)C(=O)c1cn2cc(C)nc2s1 349403814 YNVYZVANVCGUPT-UHFFFAOYSA-N 291.420 3.523 30 20 CHED C=C(C)CN(C)[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 351061628 HCYRUUYEKBGSMI-WBVHZDCISA-N 288.435 3.540 30 20 CHED C=C(C)CCc1noc(-c2cc(COC(C)(C)C)on2)n1 351212888 DDEVHGDDFKNSNI-UHFFFAOYSA-N 291.351 3.548 30 20 CHED C=CCN(CCc1ccco1)c1ncnc2sccc12 352082095 IQJQCSAEXVPISM-UHFFFAOYSA-N 285.372 3.519 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C)n(C)c1C 352206242 UMMOLSUEMJNXJX-UHFFFAOYSA-N 296.414 3.860 30 20 CHED C[C@H]1CC[C@@H](c2ccccc2)N(CC2(C#N)CC2)C1 352808853 ZXRNRIVYBTVDNS-HOCLYGCPSA-N 254.377 3.763 30 20 CHED C[C@@H]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@H](C)C1 354085372 HPKKKCKCRMAIEW-GIPNMCIBSA-N 263.772 3.843 30 20 CHED C=CCN(Cc1cccs1)[C@H](C)c1ccccn1 354218588 OJALGHQHGPAPRA-CYBMUJFWSA-N 258.390 3.892 30 20 CHED C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@H](C)C[C@@H](C)C1 359249038 ZJGZLOUHXHIQGL-ZIAGYGMSSA-N 288.439 3.604 30 20 CHED C=CCCC(=O)Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1 361091321 NDNUEZKHAPVYGW-SRVKXCTJSA-N 276.405 3.951 30 20 CHED C=CCSc1ccccc1C(=O)N1C[C@H]2CCC[C@H]2C1 362820361 MXCAZBQCZDZWRO-OKILXGFUSA-N 287.428 3.837 30 20 CHED Cc1ccc([C@]2(C)CCN(CCCSCC#N)C2)cc1 375917579 RSGYLYOEVGSVJP-QGZVFWFLSA-N 288.460 3.605 30 20 CHED C=C(C)CCN[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 379657605 TZZRMCMIMCANCQ-SJLPKXTDSA-N 272.436 3.595 30 20 CHED N#Cc1cc(F)cc(OCC(=O)c2ccc(Cl)s2)c1 388229252 ARIUWGZHJQAUAY-UHFFFAOYSA-N 295.722 3.674 30 20 CHED C=CC[C@@H](CC)NC(=O)Cc1c[nH]c2ccc(Cl)cc12 410135835 OUTJXKGDRRDUBA-CYBMUJFWSA-N 290.794 3.835 30 20 CHED CCCC(C#N)(CCC)NC(=O)[C@@H]1CCC[C@H]1CC 410554466 ABGLGHZVDVUUIQ-ZIAGYGMSSA-N 264.413 3.791 30 20 CHED CC(C)(C)CCCC(=O)Nc1cnc(C#N)c(Cl)c1 411034638 SLROZFVYKBGCCS-UHFFFAOYSA-N 279.771 3.762 30 20 CHED C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 411142359 PGGDXEXHEONMEA-DOPJRALCSA-N 290.366 3.539 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1NCC(C)(C)CC#N 414158423 AAZWOGIVPSXUFD-BLLLJJGKSA-N 274.383 3.979 30 20 CHED C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)cc1SC 415884707 QPVUMXUNDDJOJW-MRXNPFEDSA-N 293.432 3.884 30 20 CHED C=C[C@@H](CCC(=O)O)NCc1ccc(Cl)c(Cl)c1 417622902 HXVUGMHBMOZDKA-JTQLQIEISA-N 288.174 3.502 30 20 CHED N#Cc1ccc(OCCC2(C#N)CCCCC2)c(F)c1 418920589 ZGBRHVLYVJCAFT-UHFFFAOYSA-N 272.323 3.940 30 20 CHED CC(C)(C)[C@H](Nc1cncc(C#N)n1)c1ccccc1 420599354 LGYFFVGLKQHVOP-OAHLLOKOSA-N 266.348 3.548 30 20 CHED C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)[C@@H](C)CC 424251998 RAWXCPAZKAHGAV-QWHCGFSZSA-N 294.468 3.657 30 20 CHED N#CC[C@H](CC(=O)NC[C@@H]1C[C@H]1C1CCC1)c1ccccc1 424911840 ZYYMORJMCIXNMB-SQNIBIBYSA-N 296.414 3.626 30 20 CHED C=CCN(CCC#N)Cc1ccc(Br)cc1C 428883251 RUUYSJSLEMNPKM-UHFFFAOYSA-N 293.208 3.659 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@@H]1C 431004997 JLYRTIAUKQLDCD-IIAWOOMASA-N 299.418 3.946 30 20 CHED Cc1oc(C#N)cc1C(=O)N[C@H]1CCC[C@@H]1CCC(C)C 435692064 NMKTYSSJYLDOGZ-CJNGLKHVSA-N 288.391 3.794 30 20 CHED COc1cc(OC/C=C/c2ccccc2)ccc1C#N 435793815 DSVTUMQSQXDGKN-VMPITWQZSA-N 265.312 3.659 30 20 CHED C=CCc1cc(-c2nc3cccc(F)c3[nH]2)cc(OC)c1O 436741870 UEZNDPDZESTAFE-UHFFFAOYSA-N 298.317 3.812 30 20 CHED CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1 438486314 XVRJQHLKSIQTBF-ZDUSSCGKSA-N 270.298 3.625 30 20 CHED N#C[C@H]1CC[C@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 442877131 QYEFRDBZVZUHJN-MZGVZZPPSA-N 274.795 3.868 30 20 CHED CC[C@H](NCc1ccc(OC)c(F)c1)c1ccc(C#N)cc1 447559816 BBEFKQHOIRXOLQ-KRWDZBQOSA-N 298.361 3.947 30 20 CHED CCOc1ccc(OC)cc1NC1CCC(C)(C#N)CC1 449054862 RMTOHVTYPDOFRP-UHFFFAOYSA-N 288.391 3.978 30 20 CHED C=CCCCC[C@H](C)NC1CCN(C(=O)CC(C)C)CC1 449101018 YKNFZAQPKVFLJK-INIZCTEOSA-N 294.483 3.748 30 20 CHED C=CCCCC[C@H](C)NCC(C)(C)N1CCC(OC)CC1 449157141 UODPFVBTPHLIKQ-INIZCTEOSA-N 296.499 3.600 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc2ccoc12 449302332 UZUOBZVZSDHDRK-HZPDHXFCSA-N 271.360 3.504 30 20 CHED C=CC(C)(C)CN[C@H]1CCC[C@H](CCCC(=O)OC)C1 449483408 AHAARCJSCXRMQK-CABCVRRESA-N 281.440 3.690 30 20 CHED C=CC(C)(C)C(=O)N[C@H](C)c1ccc(F)cc1Cl 449893947 CNKHUQPTJVBFNY-SECBINFHSA-N 269.747 3.869 30 20 CHED C=CCC1(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)CCCCC1 450385699 FNWWQKXLJVNXKK-CVEARBPZSA-N 293.451 3.833 30 20 CHED N#Cc1cccc(N[C@@H]2CCCc3c(F)cc(F)cc32)n1 450553926 JQKLDOCXXAPIRB-OAHLLOKOSA-N 285.297 3.721 30 20 CHED C=CCC1(C(=O)NCCC[C@H]2CCCCO2)CCCC1 450618413 UVXJDLGFBRGUKX-OAHLLOKOSA-N 279.424 3.588 30 20 CHED N#CC1(CN[C@H]2CCC[C@H]2c2ccccc2)CCC1 450820391 NRPGESPVPSVBQA-HOTGVXAUSA-N 254.377 3.606 30 20 CHED C[C@H]1C[C@@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)CC[C@H]1C 451201703 KPLQSANGHCISJN-CBBWQLFWSA-N 276.424 3.599 30 20 CHED C=CCC[C@H](C(=O)NC[C@H](CCC)OC)c1ccccc1 452297824 LJXUJCFHLWOCED-IRXDYDNUSA-N 289.419 3.668 30 20 CHED C=C(C)CCNC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 455306108 GAFKSCVVKYWHQK-NSHDSACASA-N 282.334 3.633 30 20 CHED C=CCC1(NC(=O)c2csc([N+](=O)[O-])c2)CCCCC1 456380824 LGWIDQSGYQIWMW-UHFFFAOYSA-N 294.376 3.665 30 20 CHED C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H]1C 460372240 DKZZJXAFLLBUDL-HNNXBMFYSA-N 296.418 3.818 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)CC[C@@H]1C 460386286 IBNLVPAIXXWWLC-KFWWJZLASA-N 290.455 3.993 30 20 CHED C[C@H](C(=O)Nc1cccc(Cl)c1)c1cccc(C#N)c1 462300316 SOIFWVFSGXQGQZ-NSHDSACASA-N 284.746 3.954 30 20 CHED CCC[C@@H]1C[C@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 462599608 BTXPEUMYLUOBAL-QZTJIDSGSA-N 294.398 3.610 30 20 CHED C=C[C@](C)(CC)C(=O)NCCSCc1ccc(C)cc1 466362327 LWDQUDCWGDGGMG-QGZVFWFLSA-N 291.460 3.947 30 20 CHED N#Cc1cccc(CCNCc2cc(Cl)cs2)c1 466422039 QAUYJAUFKGDAES-UHFFFAOYSA-N 276.792 3.605 30 20 CHED C=CC[C@H](CC)NC(=O)c1ccccc1OC(F)(F)F 466532657 XEPCTBHAKPFFLM-JTQLQIEISA-N 287.281 3.670 30 20 CHED C=CC[C@@H](CC)NC(=O)C(C)(C)Cc1ccccc1 466535970 KNXHXKCTKNUAGC-OAHLLOKOSA-N 259.393 3.726 30 20 CHED C=CCCN(C)C(=O)[C@H](Oc1ccccc1)c1ccccc1 466638776 GTSUMWIXWABGHP-GOSISDBHSA-N 295.382 3.841 30 20 CHED C=CCC(CC=C)C(=O)N1C[C@H](C)Cc2ccccc21 467529745 PMLKVRSIPPBOAX-CQSZACIVSA-N 269.388 3.980 30 20 CHED C=CC[C@@H](C)[C@H](C)N[C@H]1CCOc2ccc(OC)cc21 468050164 QGDUGIXOKOVWQK-WWGRRREGSA-N 275.392 3.709 30 20 CHED CCCCOc1ccccc1CN(CC)C[C@H](C)C#N 468398365 WMSNKALKHZRDRQ-OAHLLOKOSA-N 274.408 3.847 30 20 CHED C=C(C)CN(CC)C(=O)CCSCc1ccccc1 470767328 ULNCJZZLRALWHA-UHFFFAOYSA-N 277.433 3.735 30 20 CHED C=CCC[C@@H](O)CN(Cc1ccccc1)[C@H](C)C1CC1 472774165 PYSBRAOEHDINQZ-CRAIPNDOSA-N 273.420 3.614 30 20 CHED C=CCOc1cccc(NC(=O)[C@H]2CC23CCCC3)c1 474354082 IZOXEWLONWADPW-OAHLLOKOSA-N 271.360 3.770 30 20 CHED CC[C@@H]1[C@@H](C)CCN1c1ncc(Cl)c(C)c1C#N 475735327 SBIADCNJLCWLBZ-TVQRCGJNSA-N 263.772 3.540 30 20 CHED C[C@@H]1CCC[C@H](CNC(=O)C2(C#N)CCCCC2)[C@@H]1C 482705334 NLCXNRIFLSYDIQ-RBSFLKMASA-N 276.424 3.649 30 20 CHED CCCC[C@@](C)(NCC#N)c1cccc(Br)c1 483063116 XNGQRBRHOUHUJV-CQSZACIVSA-N 295.224 3.968 30 20 CHED N#Cc1ccc(CN2CCC[C@H]2Cc2ccccc2)cc1F 483536452 CGKXIJXGVASABL-SFHVURJKSA-N 294.373 3.904 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1cnn(CCCC)c1C(C)C 485138845 ROWDNPMMVYVBPQ-CYBMUJFWSA-N 292.427 3.893 30 20 CHED Cc1cc(C)c2c(c1)CN(Cc1cccc(C#N)c1)CC2 485690300 BKIICQXFFVMHCY-UHFFFAOYSA-N 276.383 3.733 30 20 CHED Cc1ccc([C@H](NC(=O)c2ccc(C#N)s2)C2CC2)cc1 486642475 AJWUHBVHXWTITI-INIZCTEOSA-N 296.395 3.809 30 20 CHED C=C(C)CNC(=O)NCc1ccc(C)cc1OC(C)(C)C 488542569 IBSFQXYNKAXUNQ-UHFFFAOYSA-N 290.407 3.548 30 20 CHED Cc1c(C(=O)N2CC[C@H]2C(C)C)sc2ccc(C#N)cc12 497909085 IJGYGWDWMJQVGH-AWEZNQCLSA-N 298.411 3.952 30 20 CHED N#CC1(COc2ccccc2C(=O)Nc2ccccc2)CC1 500755157 BDFCQEKZRSDRNI-UHFFFAOYSA-N 292.338 3.621 30 20 CHED C=CCN(Cc1ccccc1)Cc1ccc(C(=O)OC)cc1 501847225 DEVXZDSABNOTMY-UHFFFAOYSA-N 295.382 3.661 30 20 CHED CC(/C=C/c1ccncc1C#N)=C\c1cccc([N+](=O)[O-])c1 504728587 DXFHDYXOXSQWKG-BYWGDBCOSA-N 291.310 3.978 30 20 CHED C=C(C)CN(CC)C(=O)[C@H](C)Cn1ccc2ccccc21 505355522 JMODEMSVAHFUQS-OAHLLOKOSA-N 284.403 3.702 30 20 CHED N#Cc1ccc(CN(C[C@@H]2CC=CCC2)C2CC2)cc1 506545058 IDKMCTZZIYAWGX-MRXNPFEDSA-N 266.388 3.879 30 20 CHED Cc1ncc(CS[C@H](C)c2ccc(C#N)cc2)cn1 507077079 JJNIISNYTPZUOZ-LLVKDONJSA-N 269.373 3.651 30 20 CHED CCC(CC)CN(CCC#N)C(=O)[C@H](C)[C@H](C)CC 507301209 JVBVJSYGVZOVBY-ZIAGYGMSSA-N 266.429 3.847 30 20 CHED C[C@H](Sc1cccc(F)c1C#N)c1nc(C2CC2)no1 516194692 RKYJUQVGKFUYEH-QMMMGPOBSA-N 289.335 3.811 30 20 CHED N#CCc1cccc(NC(=O)C2(Cc3ccccc3)CC2)c1 519329999 APLNMUXNYYIYAP-UHFFFAOYSA-N 290.366 3.714 30 20 CHED C[C@@H](C(=O)NCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 520326413 SNNJOCMRBJLZFK-SECBINFHSA-N 297.185 3.517 30 20 CHED CC[C@@H](N[C@@H](C)c1ncccc1F)c1ccc(C#N)cc1 528036815 YESWJQFFKDWEDN-BLLLJJGKSA-N 283.350 3.894 30 20 CHED C=CC[C@H](C(=O)N1CCC(F)(F)C[C@H]1C)c1ccccc1 530008545 IOOCVCAIISWAIY-HIFRSBDPSA-N 293.357 3.993 30 20 CHED COC(C)(C)CN(C)c1c(C#N)cnc2c(C)cc(C)cc12 531817322 OHLYQGGUUNKJET-UHFFFAOYSA-N 297.402 3.585 30 20 CHED C=CCN(Cc1ccc(Br)s1)C1CC1 536743394 BILFNKCZERIRSW-UHFFFAOYSA-N 272.211 3.661 30 20 CHED C=CCOc1cccnc1C(=O)Nc1ccc(C)c(C)c1 537094931 CBNQQMWLDJUBBI-UHFFFAOYSA-N 282.343 3.516 30 20 CHED CC(C)C[C@H]1C[C@@H](Nc2ccc(F)cc2C#N)CCO1 538510349 CMTFTMHAUDBLBU-GJZGRUSLSA-N 276.355 3.703 30 20 CHED C=C(CC)CNc1cccc(-c2nccc(C)n2)c1 539095977 UMWSRRRKXLHOPS-UHFFFAOYSA-N 253.349 3.830 30 20 CHED C=CCC[C@H](N[C@@H]1C[C@H]1Cc1ccccc1)C1CC1 540185257 HXINWPOLXRXOOX-FGTMMUONSA-N 255.405 3.952 30 20 CHED CC[C@@H]1CN(CC2(C#N)CC2)c2cccc(Cl)c2O1 542253443 OIDJOHLPDBIZKI-LLVKDONJSA-N 276.767 3.621 30 20 CHED C=CCCCc1nc(Cc2c[nH]c3cccc(C)c23)no1 544599541 UWAQMQJSTKJFPD-UHFFFAOYSA-N 281.359 3.959 30 20 CHED COC1(CCN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCC1 549464354 WYDFWGIGSQXVQU-MSOLQXFVSA-N 298.430 3.717 30 20 CHED C=CCOc1ccc(CNC(=O)C2CCCCCC2)cc1 557059189 XRHPLMDBZPCCAX-UHFFFAOYSA-N 287.403 3.838 30 20 CHED C=CCC[C@H](NCc1c(C)nn(CC)c1C)c1ccco1 560529636 XIFSLQWCKFFGJH-INIZCTEOSA-N 287.407 3.910 30 20 CHED CC#CCCCC(=O)NCC(F)(F)c1ccc(Cl)cc1 561355437 SJUXRIHPOAIQOR-UHFFFAOYSA-N 299.748 3.742 30 20 CHED C[C@H](c1ccc(F)cc1)N1CCC(CCC#N)CC1 566172424 DUJGVACOSHFGHO-CYBMUJFWSA-N 260.356 3.902 30 20 CHED N#CC1(CNC(=O)Nc2ccc(F)c(C3CC3)c2)CCC1 569321912 FTVPAJQXSYCBMV-UHFFFAOYSA-N 287.338 3.518 30 20 CHED Cc1csc(NC(=O)N2CC(C)(C)[C@H]2C2CC2)c1C#N 570642562 YHBRQMWTNDMGDN-GFCCVEGCSA-N 289.404 3.581 30 20 CHED Cc1ccc2ncc(C#N)c(N3C[C@H](C)S[C@@H](C)C3)c2c1 573302980 VJZPULMMLPJWFQ-STQMWFEESA-N 297.427 3.745 30 20 CHED CO[C@H](CN(CC#N)C1CCCC1)c1ccc(Cl)cc1 577287833 FLKWZFMZMCFCRU-MRXNPFEDSA-N 292.810 3.796 30 20 CHED C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 578343586 XVYCHKFQHRSRME-COWMOVNHSA-N 266.388 3.597 30 20 CHED C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(CCC#N)CC1 578535972 RRBPFMOLDHSCKZ-GDBMZVCRSA-N 276.424 3.745 30 20 CHED C[C@H](NCc1ccc(Cl)cc1C#N)c1ccc(C#N)cc1 579855862 HWKPIYFQOLMEOU-LBPRGKRZSA-N 295.773 3.934 30 20 CHED C[C@H](C#N)CNC(=O)C1(Cc2cccs2)CCCCC1 580923833 OLXNGINFQYFLJW-CYBMUJFWSA-N 290.432 3.517 30 20 CHED Cc1ccccc1C[C@@H](C)NC(=O)CCCCCC#N 588151886 MVIOHBVROLXVKR-OAHLLOKOSA-N 272.392 3.516 30 20 CHED CC(C)[C@H]1CCC[C@@H](NC(=O)CCCCCC#N)C1 588156805 BGQQRBLDEPHDHT-LSDHHAIUSA-N 264.413 3.791 30 20 CHED C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)CCCCCC#N 588160455 SCRXQGBYHDEEEL-WMZOPIPTSA-N 298.430 3.940 30 20 CHED O=C1/C(=C/c2ccc(F)nc2)CSc2c(F)cccc21 588524085 XXOLKBCGNSAMSI-UXBLZVDNSA-N 289.306 3.732 30 20 CHED Cc1nsc(Sc2ncc(-c3ccccc3)[nH]2)c1C#N 588813957 DRXZUNUGORBAHN-UHFFFAOYSA-N 298.396 3.865 30 20 CHED C[C@H](NC(=O)[C@H]1CCCCC1(F)F)c1cccc(C#N)c1 590672845 BWOAKEQKIFCGKY-SMDDNHRTSA-N 292.329 3.561 30 20 CHED CC[C@@H](C#N)C(=O)N[C@H](C)c1cccc2ccccc12 593388097 AKHAVWMCPBDTJF-OLZOCXBDSA-N 266.344 3.567 30 20 CHED CCCC[C@H](NC(=O)[C@H](C#N)CC)c1ccc(OC)cc1 593451569 LRZXVXVZMQOXHF-BBRMVZONSA-N 288.391 3.592 30 20 CHED N#Cc1ccc(CCN[C@H]2CCc3c(F)ccc(F)c32)cc1 594713517 ZYNIHPKILSPVGS-KRWDZBQOSA-N 298.336 3.656 30 20 CHED CCCC1CCC(NC(=O)N2CCC[C@@H](CC#N)C2)CC1 596191306 OBDDDAOKNZUXJZ-PCKAHOCUSA-N 291.439 3.681 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H]4C[C@@H]4C3)c2c1 596508623 DVWCLYGVYKVIBW-ZIAGYGMSSA-N 277.371 3.570 30 20 CHED COc1ccc(-c2ccc(C3(C#N)CCC3)s2)c(CO)c1 596642860 VFOFWPBSSOOZJI-UHFFFAOYSA-N 299.395 3.861 30 20 CHED N#CC[C@H]1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 596793890 QJVROAWXZWPRHF-SNVBAGLBSA-N 295.745 3.637 30 20 CHED N#CC1(CC(=O)Nc2cccc(F)c2F)CCCCC1 596970083 IGRGOWJJDVNTBO-UHFFFAOYSA-N 278.302 3.767 30 20 CHED CC[C@@H](Cc1ccc(Cl)cc1)NCC(C)(C)C#N 597084388 ZBEJZWNPKSYYQR-AWEZNQCLSA-N 264.800 3.800 30 20 CHED N#CC1(CC(=O)N[C@@H]2CCCC(F)(F)C2)CCCCC1 597407564 DKRCRLNRMZCSSR-GFCCVEGCSA-N 284.350 3.545 30 20 CHED N#CC1(C(=O)NC2CCC(C3CCC3)CC2)CCCC1 598450269 BQDLVUIBRFALPW-UHFFFAOYSA-N 274.408 3.545 30 20 CHED C=C(C)[C@@H](NCCCCC(=O)OC)c1ccc(F)c(F)c1 599367669 LSAIINGEEAOGOP-MRXNPFEDSA-N 297.345 3.515 30 20 CHED Cc1ccc2sc(NC(=O)C3(C#N)CCC3)nc2c1C 601789678 CHTQSTAYPOURAE-UHFFFAOYSA-N 285.372 3.546 30 20 CHED C[C@@H](C#N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 601789769 DCDBSUQTJQMUMJ-BLLLJJGKSA-N 288.366 3.723 30 20 CHED C[C@@H](CCC#N)CN(C)Cc1ccccc1Br 602435982 XBFKUHSQTAVMCP-LBPRGKRZSA-N 295.224 3.821 30 20 CHED CC[C@@H](Cc1ccccc1)N(C)C[C@H](C)CCC#N 602473372 GJXPAWJFMCPJNP-WBVHZDCISA-N 258.409 3.879 30 20 CHED C[C@H](CCC#N)CNCc1ccc(CN2CCCCC2)cc1 602514247 RUBIKULJEICKIO-QGZVFWFLSA-N 299.462 3.702 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1nc(C2CCCCC2)no1 602643778 KVLUXYKGTPBGIV-QWHCGFSZSA-N 290.411 3.708 30 20 CHED COc1cccc(CN(CCCCC#N)CC(C)C)c1 608832789 QHDFMCZKXQYFBV-UHFFFAOYSA-N 274.408 3.847 30 20 CHED CC[C@@H](C)CCCCC(=O)N[C@@](C)(C#N)C(C)C 612006032 CUIYQFOBZYBQIL-HIFRSBDPSA-N 252.402 3.647 30 20 CHED N#C[C@@H]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2)C1 613661329 ANNIRTIZRZIRSE-NOZJJQNGSA-N 269.175 3.775 30 20 CHED CC(C)(C)c1ccc([C@H](NC(=O)CC#N)C(F)(F)F)cc1 613910418 TXOZPLRRYKMQLW-ZDUSSCGKSA-N 298.308 3.617 30 20 CHED COC(=O)c1ccc(C)c(OCc2ccc(C#N)cc2C)c1 614402634 NPHWXFAWTWOTKF-UHFFFAOYSA-N 295.338 3.541 30 20 CHED CCN(CCCNc1ccc(C#N)cc1)c1ccccc1 619511636 UWITVEKSAJYRTL-UHFFFAOYSA-N 279.387 3.887 30 20 CHED CCc1nc(CNCc2ccc(C#N)c(Cl)c2)cs1 619748268 FMUIXPAQCPMTHT-UHFFFAOYSA-N 291.807 3.520 30 20 CHED C=CCC1(N[C@@H](C)[C@@H]2C[C@H]2c2cccs2)CCOCC1 639315337 RYSYFOWNYVKNTG-SOUVJXGZSA-N 291.460 3.955 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)n(C(C)C)n2)C1 667271830 AJOJCFDZANXSJW-CQSZACIVSA-N 290.411 3.592 30 20 CHED C=C[C@@H](CC(=O)NC[C@@H](C)C1CC1)c1ccccc1 677522928 NXVABQDNYYBUEF-KGLIPLIRSA-N 257.377 3.509 30 20 CHED C=C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1Cl 678755597 UPGXQLRSAABZIK-ZETCQYMHSA-N 277.673 3.663 30 20 CHED C=CC[C@H](CC)NC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C 684929391 YIMYYAWYYYQBRC-SRVKXCTJSA-N 292.345 3.714 30 20 CHED C=CCCC(C)(C)NC(=O)c1cc2cc(N)ccc2s1 717901980 YDCQERDPKNNZEZ-UHFFFAOYSA-N 288.416 3.958 30 20 CHED C[C@@H]1C[C@H](CC(=O)OCCCC#N)CC(C)(C)C1 727557350 JBWKHNWZPOEWFF-CHWSQXEVSA-N 251.370 3.686 30 20 CHED Fc1ccc2[nH]c3c(c2c1)C(=NNC1CCCC1)CCC3 727651587 HEFHIRZKHYAQMS-UHFFFAOYSA-N 285.366 3.880 30 20 CHED CCC/C(C)=C\C(=O)N(CCC#N)CCC(C)C 728871479 SSFWFJHSRVUCEL-OWBHPGMISA-N 250.386 3.521 30 20 CHED C=CCCOC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 729072762 YMSAAJWFKVJCKH-CHWSQXEVSA-N 295.176 3.672 30 20 CHED CCC(CC)CN(CCC#N)C(=O)/C=C/c1ccccc1 729431622 AQJXTIPAABJSNH-VAWYXSNFSA-N 284.403 3.878 30 20 CHED Cc1ccc([N+](=O)[O-])cc1NN=Cc1cccc(F)c1F 730728354 SHAMNGFXLVYHMO-UHFFFAOYSA-N 291.257 3.627 30 20 CHED CC(C)NC(=S)Nc1ccccc1SC[C@H](C)C#N 730955048 SRTMLSNRYWNRER-LLVKDONJSA-N 293.461 3.633 30 20 CHED CC(=NNc1cc(C)ncn1)c1ccc(Cl)cc1Cl 731935303 SWANRPDDXDZPMK-UHFFFAOYSA-N 295.173 3.928 30 20 CHED C[C@H]1C[C@H]1c1ccc(C=NNc2nc3ccccc3[nH]2)o1 732762375 XQQWXQAMZPOPON-CMPLNLGQSA-N 280.331 3.725 30 20 CHED C[C@@H](NC(=O)NC[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 734527111 XOEYKCOELKMOJF-QWHCGFSZSA-N 287.407 3.601 30 20 CHED CC(=NNc1ccc(Cl)cc1Cl)c1cnccn1 734747267 UZWQNANJBNPAQG-UHFFFAOYSA-N 281.146 3.620 30 20 CHED C=C(Cl)CNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 736245908 FVISZGMIOBBGOI-CYBMUJFWSA-N 295.810 3.754 30 20 CHED C=C(Cl)CNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 736399165 SWUWNTZNLQGZTN-ZDUSSCGKSA-N 278.783 3.532 30 20 CHED C=C(Cl)CNC(=O)N[C@H](CC)c1ccccc1OCC 737043286 HHQQKDKJTKSPLV-CYBMUJFWSA-N 296.798 3.588 30 20 CHED CN(C(=O)O)c1ccc(Nc2cccc(F)c2C#N)cc1 737335904 MCYZIVUHAQZDBB-UHFFFAOYSA-N 285.278 3.555 30 20 CHED COc1ccc(CCNN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 737440510 KYRNGQHQQBRAFK-BGTYHANMSA-N 298.430 3.639 30 20 CHED O=C(/C=C/c1cnc2ccc(Cl)cn12)c1ccsc1 737443101 FYXHTIVTYDTGQM-NSCUHMNNSA-N 288.759 3.945 30 20 CHED COc1cccc(/C=N\[C@@H]2C[C@@H]2C2CCCCC2)c1O 741465378 VBSIJENPUOMJEB-QIWHAVBOSA-N 273.376 3.789 30 20 CHED COc1ccc(/C=C2/Oc3ccccc3C2=O)c(Cl)c1 742437975 YKVTTZJUXXDTFP-OVCLIPMQSA-N 286.714 3.965 30 20 CHED CC[C@H](C/N=C\c1cccc(O)c1O)c1ccccc1 743340824 LOJBKFOQSZHVGC-FDIDITGRSA-N 269.344 3.711 30 20 CHED CCCCCCC[C@H](C)CNc1nccn2cnnc12 743459541 HQNOEOJQMGGHRV-ZDUSSCGKSA-N 275.400 3.533 30 20 CHED C[C@H](C#N)OC(=O)C[C@@H](C)c1ccccc1C(F)(F)F 745222855 NFIXTZHSYYMTEY-NXEZZACHSA-N 285.265 3.654 30 20 CHED COc1cccc(/C=N\Cc2c(C)cc(C)cc2C)c1O 745624084 DYUHZZYOOQBPGK-GRSHGNNSSA-N 283.371 3.945 30 20 CHED C=C(Br)CN(CCC)Cc1ccccc1F 746651755 JVIGXINHFCZMOS-UHFFFAOYSA-N 286.188 3.946 30 20 CHED C[C@@H]1CN(c2c(F)cc(C#N)cc2F)Cc2ccccc21 748793639 CGUKBGAEBXOFCH-LLVKDONJSA-N 284.309 3.960 30 20 CHED COc1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1C 749004255 CIOASFJTHIYRMH-RIYZIHGNSA-N 282.314 3.965 30 20 CHED CC(C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)cc1 749374698 ZTPKTYOUHZSYHL-FSNWXROXSA-N 290.794 3.798 30 20 CHED C=C(Cl)CNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 749396678 KDWUFNIOLJMWIJ-CYBMUJFWSA-N 286.202 3.948 30 20 CHED Cc1cc(F)ccc1/C=C/C(=O)c1ccc2c(c1)CCO2 750907334 WICRKISLTJJTLQ-ZZXKWVIFSA-N 282.314 3.965 30 20 CHED C=C(C)CNC(=S)N(c1ccc(C)cc1)C(C)C 751012544 VXQZKEUCKWXITR-UHFFFAOYSA-N 262.422 3.660 30 20 CHED CC1(C)CC(=NNc2ccc(F)cn2)c2ccccc2O1 751530034 XSYJPZAVBNQCQR-UHFFFAOYSA-N 285.322 3.598 30 20 CHED C[C@@H]1CC/C(=C\C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 753804236 ZMKWVGLMIQHBNV-YBUYXDSISA-N 280.327 3.750 30 20 CHED CCCCCC1=CCCC1=NNC1=N[C@@H]2CCCC[C@H]2N1 753932902 BFSDIIOIJORVNO-HZPDHXFCSA-N 288.439 3.503 30 20 CHED CCCCCCCCNC(=O)N[C@H](C)Cc1ccncc1 754867722 ZKWBJVGCLCHCEU-OAHLLOKOSA-N 291.439 3.672 30 20 CHED CCCCCCCCNC(=O)N(C)[C@@H](C)C1CC1 755077968 LRSLESQCNBOANM-ZDUSSCGKSA-N 254.418 3.787 30 20 CHED CC(C)CN(CCC#N)Cc1cc(-c2cccs2)on1 755668314 BQFNEKXDMWBHTD-UHFFFAOYSA-N 289.404 3.775 30 20 CHED C#CCCCOC(=O)[C@H](C)CSc1ccc(F)cc1 756239204 IBZQEZFICXJMFM-GFCCVEGCSA-N 280.364 3.511 30 20 CHED COc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)cc1F 756256168 AZNGXXIASZAHIJ-UTCJRWHESA-N 299.276 3.741 30 20 CHED C=CCCCCCN(C)Cn1cc(C)cnc1=S 758333484 VBDHSRQGMJYOLL-UHFFFAOYSA-N 265.426 3.557 30 20 CHED FC(F)CON=Cc1ccc(Cl)c(Br)c1 758900501 XHNCXQGMUCXQRC-UHFFFAOYSA-N 298.514 3.718 30 20 CHED C#CCN(C(=O)NCC1(CCC)CC1)C1CCCCC1 760201914 BTDFQMSOZVMGME-UHFFFAOYSA-N 276.424 3.544 30 20 CHED Cc1cc(C=NNc2cccc(C#N)c2)c(C)s1 760238793 CZPDFUMAMLTKGM-UHFFFAOYSA-N 255.346 3.683 30 20 CHED Cc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)cnc1Cl 760264636 KMWOYFYPPTWRDS-DUXPYHPUSA-N 291.709 3.784 30 20 CHED C#CCCc1noc(-c2ccc(-c3ccco3)s2)n1 762014830 SSWPIWIONAOITR-UHFFFAOYSA-N 270.313 3.624 30 20 CHED CS[C@H](C)CCC(=O)O[C@@H](C#N)C1CCCCC1 762929007 OLGMIPWYAGGKFC-YPMHNXCESA-N 269.410 3.534 30 20 CHED C#CCCOC(=O)c1c(Cl)ccc(Cl)c1Cl 765387092 RSKWWKUQLHWMAI-UHFFFAOYSA-N 277.534 3.827 30 20 CHED CC#CCCOC(=O)c1cc2cccc(Cl)c2o1 765493689 BAPMAZAQASWCAP-UHFFFAOYSA-N 262.692 3.656 30 20 CHED Cc1cc2ccccc2nc1NN=C1CC(C(F)F)C1 766026227 DGOQIQQCCJLXFP-UHFFFAOYSA-N 275.302 3.986 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc(C#N)c(F)c2)ccc1C#N 766492414 XOEQWLSHJZKMHL-CLTKARDFSA-N 290.297 3.774 30 20 CHED C#CCCCC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 767232464 WWWDBQKLMOUHBD-OAHLLOKOSA-N 269.388 3.966 30 20 CHED Brc1cc(NN=CC2CCCCC2)ccn1 769799823 SFHCGBDRANDDFW-UHFFFAOYSA-N 282.185 3.822 30 20 CHED C#C[C@@H](C)N(C)Cc1csc(-c2ccc(CC)cc2)n1 769978049 ODZLIJYTJXPAFT-CYBMUJFWSA-N 284.428 3.826 30 20 CHED C#CCSCCN[C@H](C)c1ccc(SCC)cc1 773011155 SUBDGAZDWYTBCN-CYBMUJFWSA-N 279.474 3.816 30 20 CHED O=C1/C(=C\c2cccc(F)c2)Oc2cc(F)ccc21 773174825 YNAAYRRBRAKYQW-VGOFMYFVSA-N 258.223 3.581 30 20 CHED CC(C(=O)OCc1cccc(C#N)c1F)=C1CCCC1 774968417 FIJKFUHYQQLBRK-UHFFFAOYSA-N 273.307 3.631 30 20 CHED CCCCC[C@@H](CC)C(=O)NCC#Cc1ccccc1 775646417 YAOIIVIVRIKFDP-QGZVFWFLSA-N 271.404 3.761 30 20 CHED C=CC[C@H](NC(=O)N1CCCC[C@@H](C)C1)c1ccncc1 776148433 DXPQHDXTRHRRQG-ZBFHGGJFSA-N 287.407 3.530 30 20 CHED CCc1cnccc1C(=O)/C=C\c1cccnc1Cl 776190397 VBEMPUWJMZJUQH-WAYWQWQTSA-N 272.735 3.589 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)C1CCSCC1 777419615 AOUNIBNZPKVCGB-UHFFFAOYSA-N 279.365 3.526 30 20 CHED Brc1cccc(C=NOC2CCCCC2)n1 777456542 BWDAXVIBJNCFCX-UHFFFAOYSA-N 283.169 3.527 30 20 CHED N#C[C@@H](OC(=O)[C@H](F)Cc1ccccc1)C1CCCCC1 778199829 RLFYYTGMARUBJK-HZPDHXFCSA-N 289.350 3.583 30 20 CHED CC(=NN=c1cc[nH]cc1)c1cccc(Cl)c1Cl 779809217 MVXSWTKRHOPGLS-UHFFFAOYSA-N 280.158 3.646 30 20 CHED Cc1cccc(C)c1C=NNc1ccc2[nH]ncc2c1 779817403 QQNWJVYISZTJEV-UHFFFAOYSA-N 264.332 3.626 30 20 CHED CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(C#N)cc1C 779990987 IMTVPZOEJBYEPE-WCQYABFASA-N 259.349 3.592 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](C)C1CCCC1 780148327 KILFJFHMUMYVHG-CHWSQXEVSA-N 286.375 3.742 30 20 CHED CC(=NN[C@@H]1CCCOC1)C1(c2ccccc2)CCCC1 780262186 XJMFNZXIGOWKJB-QGZVFWFLSA-N 286.419 3.643 30 20 CHED C#CCCCCCC(=O)Nc1cc(C#N)ccc1NCCC 780547235 KJSBNZKPYKCLAH-UHFFFAOYSA-N 297.402 3.902 30 20 CHED O=C(/C=C/c1cc(Cl)cc2c1OCC2)c1ccco1 782889096 BVVIDJCPFCRGKQ-ONEGZZNKSA-N 274.703 3.764 30 20 CHED C=CCCCCCONC(=O)C(C)(C)c1ccccc1 783030535 VFCVXILSOBXMJS-UHFFFAOYSA-N 275.392 3.758 30 20 CHED C=CCCN(OCc1ccccc1)C(=O)/C=C\c1ccc[nH]1 783871462 OOBVEVIZMSGZRS-QXMHVHEDSA-N 296.370 3.564 30 20 CHED C=CC[C@@H](NC(=O)Cc1ccccc1CC)c1ccncc1 785589767 DAERTLRTMXDVIM-GOSISDBHSA-N 294.398 3.620 30 20 CHED COc1ccc(/C=C/C(=O)c2cncs2)cc1Cl 787173052 WUAJRWGKKDVZKS-DUXPYHPUSA-N 279.748 3.701 30 20 CHED C#C[C@H](CCC)NC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C 787877366 IILFLBHFZXGINA-KBAYOESNSA-N 298.430 3.684 30 20 CHED C#CCC1(C(=O)NCCCCCSC)CCCCC1 788245048 APXFNGLKUROJSP-UHFFFAOYSA-N 281.465 3.610 30 20 CHED C#Cc1cccc(N(C(=O)CC(C)(C)CC(C)=O)C(C)C)c1 788514441 YQGWMKJLNZJRNL-UHFFFAOYSA-N 299.414 3.805 30 20 CHED CCCCOc1ccccc1/C=C\C(=O)c1cc(C)nn1C 789160579 XLLNGYRKGMVYOZ-KHPPLWFESA-N 298.386 3.804 30 20 CHED CC(C)=CCC/N=C\c1cc2ccccc2nc1O 790101610 RWDXCHDVMWSADU-BOPFTXTBSA-N 254.333 3.716 30 20 CHED CC(C)(C)c1cnc(COC(=O)C2(C#N)CCCC2)s1 790887539 BYRMLITXSAXQII-UHFFFAOYSA-N 292.404 3.568 30 20 CHED C=CCC1(C(=O)Nc2cccc(OC)c2F)CCC1 790900601 FIEAEKHOPZXLGX-UHFFFAOYSA-N 263.312 3.519 30 20 CHED Fc1cncnc1NN=C1CCCC[C@H]1c1ccccc1 793226369 RLISJAOZOBITMD-ZDUSSCGKSA-N 284.338 3.741 30 20 CHED CC[C@@H]1CCCC[C@H]1C(=O)N(CCC#N)CC(C)C 793239464 ABDYMXJCHBTKCO-HUUCEWRRSA-N 264.413 3.601 30 20 CHED CSCCON=Cc1cc2ccccc2s1 794577513 VPAYKUPSFHXWIH-UHFFFAOYSA-N 251.376 3.615 30 20 CHED C#CCCCC(=O)Nc1ccc(-c2ccncc2)c(C)c1 794716961 JDRMLWAOPVDCNY-UHFFFAOYSA-N 278.355 3.799 30 20 CHED CC(=NNCc1ccc(Cl)cc1)c1ccc2n[nH]cc2c1 794918122 PTDASCFTLVVUBN-UHFFFAOYSA-N 298.777 3.730 30 20 CHED Cc1cc(C)c(/C=C2/CCc3nn(C)cc3C2=O)cc1C 794962340 OINHPTZBGOBBPO-ZROIWOOFSA-N 280.371 3.558 30 20 CHED CCC(=NOCCCOC)c1ccc(Cl)s1 795042622 UHGWONJCJNDBOJ-UHFFFAOYSA-N 261.774 3.569 30 20 CHED C=C[C@H](CC(=O)OCc1cncc(F)c1)c1ccccc1 795567360 MDRRRCDHMHEVIR-CQSZACIVSA-N 285.318 3.624 30 20 CHED Cc1csc([C@@H](C#N)C(=O)C(C2CCC2)C2CCC2)n1 796739302 QNNZSOKAGDWAPV-ZDUSSCGKSA-N 288.416 3.844 30 20 CHED COc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1C#N 799496898 ABJAGTLQFUIICR-NTUHNPAUSA-N 293.297 3.528 30 20 CHED C#C[C@H](NC(=O)C[C@H](CC)c1ccccc1)C(C)(C)C 807881559 NDTMIQMMYUFYIO-HOCLYGCPSA-N 271.404 3.734 30 20 CHED CC(C)(C)[C@@H]1CCC1=NNc1cccc(C(=O)O)c1 807944119 SBCSRCSLOUQTNS-GFCCVEGCSA-N 260.337 3.609 30 20 CHED C=CCOC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 809677807 QYKAQALPWLFICQ-UHFFFAOYSA-N 293.775 3.735 30 20 CHED C#C[C@@H](N[C@@H](C)C1CC1)c1ccc(Cl)cc1F 809699601 UVOYWNWXKIRANS-LKFCYVNXSA-N 251.732 3.542 30 20 CHED CSc1ccccc1[C@@H](C)OC(=O)c1cccc(C#N)n1 810860075 KQSNTZQTCYXJLF-LLVKDONJSA-N 298.367 3.593 30 20 CHED C=CCCCCOC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 811012913 BVAPCXVZULEAJH-CHWSQXEVSA-N 266.381 3.527 30 20 CHED COc1ccc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc1F 811693013 FMRPFGZLFASTTB-NSIKDUERSA-N 293.297 3.528 30 20 CHED C#C[C@@H](NC(=O)N[C@@H](CC)CC=C)c1ccc(Cl)cc1 811914444 JYVPGIPRKMNUPR-LSDHHAIUSA-N 290.794 3.668 30 20 CHED C#CCN(C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 811994922 ISGLHEQVMXHERE-QGZVFWFLSA-N 286.419 3.782 30 20 CHED Fc1ccc2[nH]c3c(c2c1)C(=NOC1CCC1)CCC3 812235708 PAJUCHAWYXWPLL-UHFFFAOYSA-N 272.323 3.917 30 20 CHED CSc1ccc(C=NNc2ccccc2F)cc1 812458433 CEMTUCDTABISRT-UHFFFAOYSA-N 260.337 3.994 30 20 CHED CCC(=NOCCC1CC1)c1ccc(OC)c(OC)c1 814245452 SQOPTWKCCWJIDA-UHFFFAOYSA-N 277.364 3.635 30 20 CHED CC(=NNc1ccccc1)[C@@H](C)CCCCC(=O)O 814684461 USQAEBBPBUANHG-LBPRGKRZSA-N 262.353 3.756 30 20 CHED CCc1nc2ccccc2n1N=Cc1cccnc1Cl 814786823 CUXVHYAOMQXVFG-UHFFFAOYSA-N 284.750 3.529 30 20 CHED CCON=C(C)c1sc(-c2ccccc2)nc1C 814788354 QEWNLNVEMSCZEW-UHFFFAOYSA-N 260.362 3.879 30 20 CHED CC(C)[C@H]1CC(=NNc2cc(F)cc(F)c2)CS1 814813715 WJWFTTHCCFMYKO-CYBMUJFWSA-N 270.348 3.894 30 20 CHED CC1(CNN=C2CCC[C@H]2C(C)(C)C#N)CCCC1 814938055 UOBWUQCYTILTJI-CYBMUJFWSA-N 261.413 3.862 30 20 CHED Clc1cccc(Cl)c1CNN=Cc1nccs1 814938222 HJUOTORPEJOXLP-UHFFFAOYSA-N 286.187 3.574 30 20 CHED C=CCC(F)(F)C(=O)O[C@@H](C)c1ccc(F)cc1F 815311819 ZIVOJBPPNIDMMZ-QMMMGPOBSA-N 276.229 3.780 30 20 CHED C=CCC(F)(F)C(=O)N[C@H](C1CCCCC1)C(F)(F)F 815770880 FPPWLHMHWGSPLM-SNVBAGLBSA-N 299.283 3.825 30 20 CHED C#CC[C@H](OC(=O)[C@H]1CCCC[C@H]1C)c1ccccn1 820007264 SMKOQBMYDYIOBF-YCPHGPKFSA-N 271.360 3.516 30 20 CHED C=CCC1(NC(=O)Nc2ccnc(Cl)c2)CCCC1 822273656 MHZUYVNCGXHYQO-UHFFFAOYSA-N 279.771 3.745 30 20 CHED CCc1nocc1/C=C1\C(=O)c2cccc(C)c2[C@H]1C 834434207 DAAXCFYRLFGOBS-KSSSLANASA-N 267.328 3.929 30 20 CHED CC[C@@H](C)[C@@H](C=NNc1cc(C)ccc1F)OC 834962422 WOVBLXRYJAYNJX-BXUZGUMPSA-N 252.333 3.593 30 20 CHED Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@H]3CC(C)C)[nH]c12 835175015 YIZBDZCICDRQBN-MGPQQGTHSA-N 295.386 3.730 30 20 CHED Cc1nc(C(C)C)ccc1C(=O)OCC(C)(C)CC#N 835304077 PNFWSGTXOUKKCS-UHFFFAOYSA-N 274.364 3.610 30 20 CHED Cc1csc(C(=O)O[C@@H](C#N)C2CCCCC2)c1 835341236 HBZCXBGWBVELTA-LBPRGKRZSA-N 263.362 3.686 30 20 CHED Cc1cc(F)c(COC(=O)C2(C#N)CCCCC2)cc1F 836023469 VFBJQPXCGGDEHQ-UHFFFAOYSA-N 293.313 3.791 30 20 CHED C=CCN(C(=O)N[C@H](CC)C1CCCC1)C(C)C 838702183 DKBVFUFNYCLVOA-CQSZACIVSA-N 252.402 3.561 30 20 CHED N#Cc1ccc(F)c(CNCc2ccc(C3CC3)cc2)c1 838966799 HBTLITHOWYCIHA-UHFFFAOYSA-N 280.346 3.865 30 20 CHED C=C(Cl)CN1CCN(CC(=C)Cl)[C@@H]([C@@H](C)CC)C1 839528828 RKDRHUNBRDLKBG-SMDDNHRTSA-N 291.266 3.524 30 20 CHED N#CC1(CCOC(=O)[C@@H]2CCC(F)(F)C2)CCCCC1 840537407 GAKVVGSTYAZBHN-GFCCVEGCSA-N 285.334 3.829 30 20 CHED O=C1/C(=C\c2ccc(C3CC3)cc2)CCc2nc(O)ccc21 840716105 JDGWDNLIHMRSRC-PTNGSMBKSA-N 291.350 3.877 30 20 CHED C[C@H](O)CN(C)N=CCCc1ccc(-c2ccccc2)cc1 841650564 MAWGQWHRNKIQOR-INIZCTEOSA-N 296.414 3.585 30 20 CHED C=CCC[C@@H](OC(=O)c1ccc2cnccc2n1)C1CC1 842325904 WQOOIMWLBYHEGS-MRXNPFEDSA-N 282.343 3.531 30 20 CHED C#CCC1(OC(=O)[C@@H]2SCCc3ccccc32)CCC1 842350087 QJTQIWNFUUEMDI-OAHLLOKOSA-N 286.396 3.506 30 20 CHED C=CCCCCCN=[S@](=O)(c1ccccc1)N(C)C 853724361 TXSVVXYUYGPSDU-LJQANCHMSA-N 280.437 3.737 30 20 CHED C=CCOCCSCc1cc(F)ccc1OC(F)F 853774455 KUBAMYFJBYKHGA-UHFFFAOYSA-N 292.322 3.863 30 20 CHED C=CCCC(C)(C)NC(=O)CC[C@H]1CC1(Cl)Cl 856374860 JCLNECYSBCSACO-JTQLQIEISA-N 278.223 3.821 30 20 CHED Cc1ccccc1C[C@@H](C)C(=O)O[C@@H](C)C(C)(C)C#N 860623198 HAIDKGWXVSVTGM-KGLIPLIRSA-N 273.376 3.655 30 20 CHED FC(F)(F)c1sccc1C=NO[C@H]1CCCCO1 863106211 QKJGZGTZTQCUHT-VIFPVBQESA-N 279.283 3.644 30 20 CHED CC(C)C#CC(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 871142914 RISHSCRIJPTFQJ-UHFFFAOYSA-N 293.370 3.552 30 20 CHED C#CCCCCCCN1CCC[C@@H]1c1c(C)n[nH]c1C 877529969 APUPEYDRKBEERM-MRXNPFEDSA-N 273.424 3.747 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 878136529 BJMRIBBJEKXFQE-UHFFFAOYSA-N 269.348 3.618 30 20 CHED C=CC(C)(C)CC(=O)N1CCCc2sccc2C1 878766901 LXUNWOMKMMISKZ-UHFFFAOYSA-N 263.406 3.625 30 20 CHED CSc1ccc(CNc2ccccc2O[C@H](C)C#N)o1 883084438 RHILMHXSVUPLCA-LLVKDONJSA-N 288.372 3.904 30 20 CHED C#C[C@H](NC(=O)c1ccccc1-c1ccncc1)C(C)(C)C 891480132 XCSMSCOUIQBCES-KRWDZBQOSA-N 292.382 3.526 30 20 CHED C[C@@H](c1cccs1)N(C)c1cc(C#N)sc1[N+](=O)[O-] 891888358 GFXZEHHNFKGFJB-QMMMGPOBSA-N 293.373 3.787 30 20 CHED CCC(CC)CN(CCC#N)Cc1cnn(C2CCC2)c1 891937572 NLLXGBRLHFHHAE-UHFFFAOYSA-N 288.439 3.760 30 20 CHED C[C@@H](CC(C)(C)C#N)Nc1cccc(-c2nccn2C)c1 892339634 HHCUSVFCDIVJOW-ZDUSSCGKSA-N 282.391 3.827 30 20 CHED C=C1CCC(C(=O)N2CCCc3sccc3C2)CC1 896249909 YNARIAACGLSQLO-UHFFFAOYSA-N 275.417 3.769 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1cccc(-c2cnco2)c1 898155291 AFSLYKUVTQKBKL-UHFFFAOYSA-N 284.359 3.560 30 20 CHED Cc1cc(C(=O)N(O)Cc2ccc(F)cc2)ccc1Cl 901375708 KTPSQGHYHIGKRH-UHFFFAOYSA-N 293.725 3.819 30 20 CHED N#Cc1ccnc(CNc2c3c(cc4c2CCC4)CCC3)c1 901424949 QYYPJFDFSPAEAS-UHFFFAOYSA-N 289.382 3.543 30 20 CHED C[C@H](NCC(C)(C)C1CCOCC1)c1cccc(C#N)c1 901643825 WWLPYORGFDXORF-AWEZNQCLSA-N 286.419 3.662 30 20 CHED Cc1nn(C(C)C)c(C)c1CNc1ccc(C#N)cc1 902067503 ZXHOSYMPQVFMJG-UHFFFAOYSA-N 268.364 3.565 30 20 CHED C[C@@H](C#N)OCCSC[C@H](C)COCc1ccccc1 902387567 QFPKIAAKCMPYBN-CABCVRRESA-N 293.432 3.501 30 20 CHED COc1ccsc1C(=O)OCCCCC1(C#N)CCC1 908998605 MJTNLDREFLIBAC-UHFFFAOYSA-N 293.388 3.778 30 20 CHED CCCCCCCCCNC(=O)NCc1ocnc1C 913935734 UMWAEVFLBWNUMY-UHFFFAOYSA-N 281.400 3.533 30 20 CHED C=CCNC(=O)Nc1nnc(CCCCCCCC)s1 915311752 QIXFFNDLOUIPBV-UHFFFAOYSA-N 296.440 3.749 30 20 CHED Cc1ccc(C=NNC(=S)Nc2ccccc2)c(C)c1 915923622 JJAPBKNOTMZNBK-UHFFFAOYSA-N 283.400 3.624 30 20 CHED CCCNN=Cc1ccc(OCc2ccccc2)cc1 915965329 MHLSBHUWLMTZKW-UHFFFAOYSA-N 268.360 3.599 30 20 CHED CO[C@@H]1CCCCC1=NNc1nccc2sccc12 915980611 WIDLMATWYQMFCP-GFCCVEGCSA-N 275.377 3.653 30 20 CHED C#CCOc1ccccc1C=NNc1ccc(Cl)cc1 916246924 PIQMAENUCCTYGF-UHFFFAOYSA-N 284.746 3.798 30 20 CHED COc1ccc(CNN=C(C)c2ccc(C)cc2OC)cc1 917547253 MDRZIFYWFGCURA-UHFFFAOYSA-N 298.386 3.526 30 20 CHED COc1cccc(/C=N/Cc2ccc([C@@H]3C[C@H]3C)o2)c1O 917556686 IKBPRZBPMGAOCZ-NUQTUZLWSA-N 285.343 3.736 30 20 CHED N#C[C@H]1CC[C@H](SCc2cccc(F)c2F)C1 918861879 ROHOFILQUDSPLB-ONGXEEELSA-N 253.317 3.890 30 20 CHED Cc1ccc(NC(=S)NN=C/C=C/c2ccco2)cc1 920362555 CDSMAKLSNPWGQR-SYFFVGTASA-N 285.372 3.574 30 20 CHED Cc1c(C(=O)/C=C\c2cccs2)nnn1-c1ccccc1 920390251 ZVUYCYPJQIKTPG-KTKRTIGZSA-N 295.367 3.533 30 20 CHED O=[N+]([O-])c1ccc(O)c(/C=N\C2CCCCCCC2)c1 920942393 BWLCJYPUJVAGGV-WJDWOHSUSA-N 276.336 3.832 30 20 CHED C[C@H](CC(C)(C)C#N)NCCCc1cccs1 925673169 AOPTVLOKNACXIA-GFCCVEGCSA-N 250.411 3.599 30 20 CHED C=C[C@@H](CC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1 928043314 YTKCRQHKVTVLQH-PEHHYFEISA-N 269.388 3.507 30 20 CHED N#CC1(CCCCN2CCOc3ccccc3C2)CCC1 929314085 NAYGHDIUEHNPLV-UHFFFAOYSA-N 284.403 3.745 30 20 CHED CCCN1CCC(N(C)CCCCC2(C#N)CCC2)CC1 929777730 ODDMKKPEWQXXET-UHFFFAOYSA-N 291.483 3.657 30 20 CHED Cc1ccccc1[C@H](C)C(=O)N[C@](C)(C#N)CC(C)C 931302367 HVCPBAMJRODJQQ-YOEHRIQHSA-N 272.392 3.543 30 20 CHED COc1cc(O)ccc1/C=C/C(=O)c1cccc(C)c1 1115821219 BLCLJNSQUWZZHN-VQHVLOKHSA-N 268.312 3.605 30 20 CHED C=C(C)CCC(=O)Nc1sc(C)nc1CC(C)C 1120708798 HOOPMCWUOCHRRX-UHFFFAOYSA-N 266.410 3.945 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(-c2ccco2)on1 1120814180 YCFQGNQMLJDZAL-LBPRGKRZSA-N 286.331 3.505 30 20 CHED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3F)cc2)c1 1125979320 HOWLXHOUAIIXIW-HZPDHXFCSA-N 296.301 3.647 30 20 CHED Cc1cc(N[C@@H]2CSc3ccccc32)ncc1C#N 1162584376 HOQHYCRMCGMNEN-CYBMUJFWSA-N 267.357 3.521 30 20 CHED Cc1cc(Oc2ccc(NC(=O)C(C)C)cc2)c(C#N)cn1 1162792973 RGIVWNIQJGZBBR-UHFFFAOYSA-N 295.342 3.649 30 20 CHED CSc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)cc1 1257951323 MVQHJUZADCSGLL-UHFFFAOYSA-N 293.351 3.997 30 20 CHED CC(C)(C)[C@H](Nc1cc(C#N)cnn1)c1cccc(F)c1 1261653602 QNXXTUFVNBAOJJ-OAHLLOKOSA-N 284.338 3.687 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCC(C)(C)C2)c1 1310872050 MDIOFOPBEZYSNG-CQSZACIVSA-N 285.391 3.957 30 20 CHED CC(C)CC[C@H]1CCCN1c1cccc(CC#N)n1 1320490101 KKASGJQVORNRHG-OAHLLOKOSA-N 257.381 3.553 30 20 CHED N#Cc1ccnc(/C=C\c2cccc(Br)c2)c1 1321037210 NMRQPZNGEAHSHP-PLNGDYQASA-N 285.144 3.886 30 20 CHED COc1cc(/C=C2\CCc3ccc(O)cc3C2=O)ccc1F 1321075237 WYBOFARWTUTZIW-MDWZMJQESA-N 298.313 3.752 30 20 CHED N#Cc1cccc(C2(c3nc([C@@H]4CCCS4)no3)CC2)c1 1323915926 OKJDWPUDFGOJHY-ZDUSSCGKSA-N 297.383 3.589 30 20 CHED C#C[C@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccccc1 1326007841 YBIJGRDOQFLALD-DYVFJYSZSA-N 296.370 3.631 30 20 CHED O=C1/C(=C\c2ccc3c(c2)CCC3)CCc2scnc21 1331722388 IIZGBTPEFYEJBC-ZROIWOOFSA-N 281.380 3.844 30 20 CHED C[C@H](N[C@H]1CCC[C@@H](F)C1)c1ccc(OCC#N)cc1 1332340918 SJSDOXUULNKNNS-CFVMTHIKSA-N 276.355 3.520 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)CCc1ccsc1 1337550875 LMMMANCBJDKZTM-CQSZACIVSA-N 263.406 3.638 30 20 CHED C=C1CCN(c2c(C#N)cnc3c(F)ccc(F)c23)CC1 1337726343 YFFGJRPRNBHNFG-UHFFFAOYSA-N 285.297 3.541 30 20 CHED Cc1ccccc1C(F)(F)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1344887812 VXMYBNSSLMDFDW-CHWSQXEVSA-N 293.313 3.712 30 20 CHED C=C[C@@H](C(=O)N1CCCC12CCC2)c1ccccc1 1349317837 XGJRPMMCQGJXOJ-OAHLLOKOSA-N 255.361 3.501 30 20 CHED C=C(CC(C)C)C(=O)Nc1cc(Cl)c(O)cc1F 1349844550 BSQUCWSDXWNKAY-UHFFFAOYSA-N 271.719 3.726 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1351075782 BITZTFLUKYWMHU-MGPQQGTHSA-N 287.359 3.975 30 20 CHED Cc1cc(F)cc(C)c1C(=O)N[C@H](C)c1ccc(C#N)cc1 1355477224 KYFKSZMWJGEHRT-CYBMUJFWSA-N 296.345 3.805 30 20 CHED CN(C(=O)c1ccc(C#N)cc1)c1ccc(F)cc1Cl 1437495781 KCXBDKYRMFGECU-UHFFFAOYSA-N 288.709 3.627 30 20 CHED CSCc1ccc(NC(=O)c2csc(C#N)c2)cc1 1455950886 YSTMVYFXNXBRFT-UHFFFAOYSA-N 288.397 3.735 30 20 CHED Cc1cc(C#N)cc(NC(=O)N[C@@H](C)CC(C)(C)C)c1 1466839338 GVWOGBNENHOLQP-LBPRGKRZSA-N 273.380 3.813 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ccnn1[C@H](C)CC 1516051273 LLHDSIXKPCTVAX-OAHLLOKOSA-N 297.402 3.683 30 20 CHED C[C@H](OC(=O)c1csc(C#N)c1)C(Cl)(Cl)Cl 1516820845 QIWAKEZARAWJPD-YFKPBYRVSA-N 298.578 3.535 30 20 CHED N#CCC1(OC(=O)C2[C@@H]3CCCCCC[C@@H]23)CCC1 1518403747 IOECCTNLPOPYOY-CHWSQXEVSA-N 261.365 3.582 30 20 CHED CC(=O)c1cc(C#N)ccc1NC(=O)C1(CC(C)C)CCC1 1521712642 WEUPDLIFYOPASP-UHFFFAOYSA-N 298.386 3.916 30 20 CHED C=C(CNC(=O)NC[C@@H]1CCC[C@@H]1C1CC1)c1ccccc1 1564882079 KGNZFXCGXIYYGT-ZWKOTPCHSA-N 298.430 3.825 30 20 CHED CCC1(CC)CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 1566278332 YQOVOANLHASGNC-QGZVFWFLSA-N 298.430 3.798 30 20 CHED C=CC[C@@H](N[C@@H]1CC(C)(C)CCc2ccccc21)C(=O)O 1588745499 JLGCOSSCVZAIFY-HZPDHXFCSA-N 287.403 3.709 30 20 CHED C=CCCCN[C@](CC)(C(=O)O)c1ccc(Cl)cc1 1602875135 YOSXJHUPHVMBMQ-HNNXBMFYSA-N 281.783 3.586 30 20 CHED C=C(Cl)CN[C@H](c1ccc(C)cc1)c1ccccn1 1617694219 PURBNCQADUOPOS-MRXNPFEDSA-N 272.779 3.822 30 20 CHED Cc1cccn2cc(C(=O)Nc3cccc(CC#N)c3)cc12 1635704688 QKAXCKWTRMGARI-UHFFFAOYSA-N 289.338 3.566 30 20 CHED CC[C@H](C#N)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1645111190 MJVIJNNFEKYVLT-VXGBXAGGSA-N 270.376 3.960 30 20 CHED CC(C)(C)C[C@@H]1C[C@H]1NCc1cccc(F)c1C#N 1652779611 UFAYIHATUUVAFZ-SWLSCSKDSA-N 260.356 3.612 30 20 CHED CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)c(C)c2)C1(C)C 1663584155 HQVRBMZSAHCGEY-DLBZAZTESA-N 286.419 3.502 30 20 CHED COc1ccc(C#N)cc1N[C@H]1CCC[C@@H](C2CC2)C1 1664234783 ZEJNBGJYAHQJIE-CABCVRRESA-N 270.376 3.948 30 20 CHED COC[C@@H](CC(C)(C)C)Nc1cc(F)cc(C#N)c1 1665454763 YBOCAXZCILACCM-CQSZACIVSA-N 264.344 3.560 30 20 CHED Cc1ccc(NN=Cc2csc(C(=O)O)c2)c(Cl)c1 1776060878 UGXWCORLKKELDR-UHFFFAOYSA-N 294.763 3.854 30 20 CHED CCC(Cc1ccccc1)=NNc1ccc(CC(=O)O)cc1 1776084087 RYMYNCMINPKUAI-UHFFFAOYSA-N 296.370 3.734 30 20 CHED Cc1c(NN=C[C@H]2CCCC[C@H]2C)cccc1C(=O)O 1776087551 ITRDQCVOXJWDKH-DGCLKSJQSA-N 274.364 3.917 30 20 CHED C=CCCCCCN1C[C@H](C(=O)O)Cc2cc(F)ccc21 1776173067 QLOCQJFZEDMFIQ-CQSZACIVSA-N 291.366 3.635 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(/C=C/C(=O)O)o1 1777465355 XNXAOIYQCOXKNP-GFULKKFKSA-N 282.295 3.582 30 20 CHED CSC1=CC(=O)/C(=C\c2ccc(F)cc2)S1 15444022 NVFDEXAIINHPDH-IZZDOVSWSA-N 252.335 3.687 30 20 CHED N#Cc1ccc(CNc2cccc(Br)c2)cc1 19941783 GSNALHLUERYNHZ-UHFFFAOYSA-N 287.160 3.933 30 20 CHED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2F)cc1 29150713 NFHPNAKRYSKCHF-UHFFFAOYSA-N 282.318 3.879 30 20 CHED N#Cc1ccc(F)c(CNc2ccc(C#N)c(Cl)c2)c1 36964047 PZDLWTPKHNVIGK-UHFFFAOYSA-N 285.709 3.835 30 20 CHED CC[C@H]1CCCC[C@H]1NCc1cccc(OCC#N)c1 37294489 UFLWEPOTZSGJLG-DOTOQJQBSA-N 272.392 3.647 30 20 CHED CCc1cccc(NC(=O)c2cccc(CC#N)c2)c1 42212140 ODFOZKRPTNTVAO-UHFFFAOYSA-N 264.328 3.567 30 20 CHED C[C@H](Cc1ccsc1)Nc1nc2c(cc1C#N)CCC2 42278306 IOSXXBAALPDEPV-LLVKDONJSA-N 283.400 3.547 30 20 CHED C[C@H](c1cccs1)N(C)CCOc1cccc(C#N)c1 48334931 HRNKLLGOKVJTCP-CYBMUJFWSA-N 286.400 3.692 30 20 CHED CCCCCC(=O)Nc1ccc(Cl)c(C#N)c1 48824230 TUXOTZQRXIDLQE-UHFFFAOYSA-N 250.729 3.730 30 20 CHED Cc1nnc(N2CCC3(CCCCC3)CC2)c(C#N)c1C 61559583 ARYOGLLLFLUREU-UHFFFAOYSA-N 284.407 3.516 30 20 CHED N#Cc1cccc(OCc2nc(Cl)ccc2Cl)c1 61639585 YIKVYVGJIXMBJH-UHFFFAOYSA-N 279.126 3.839 30 20 CHED N#Cc1ccc(N2CCC3(CCCC3)CC2)c(F)c1 62959420 XBXFTVFAYYDOJR-UHFFFAOYSA-N 258.340 3.858 30 20 CHED C=CCCC(=O)Nc1ccc(F)cc1OCC(F)(F)F 70867731 FIXGAJAMFWANBY-UHFFFAOYSA-N 291.244 3.672 30 20 CHED CCS[C@H]1CC[C@H](N(C)Cc2ccccc2C#N)C1 76069623 PWVWTDCGTSMSFI-HOTGVXAUSA-N 274.433 3.664 30 20 CHED CCN(Cc1csc(C)n1)[C@@H](C)c1ccc(C#N)cc1 76720326 JCIRCHTXIWQNLP-LBPRGKRZSA-N 285.416 3.906 30 20 CHED Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(C)c1 77380145 FOHHYQALUNXTIX-UHFFFAOYSA-N 295.386 3.984 30 20 CHED C[C@@H](C#N)Sc1ncc(C(F)(F)F)cc1Cl 78224903 VEQPFYRENVUIFR-YFKPBYRVSA-N 266.675 3.758 30 20 CHED COC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1 81009868 KBTGCRHOIBIXAL-CQSZACIVSA-N 290.750 3.913 30 20 CHED Cc1csc(CN(Cc2ccc(C#N)cc2)C(C)C)n1 88587396 BRLJWNYQDCCLRB-UHFFFAOYSA-N 285.416 3.734 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1ccc(C#N)cc1 90537757 LBGPHGBZKPAWAF-UHFFFAOYSA-N 270.719 3.772 30 20 CHED Cc1nsc(N[C@H]2CCCc3sccc32)c1C#N 92912353 FLMXTQADFNDGDT-NSHDSACASA-N 275.402 3.874 30 20 CHED COc1cc(C(=O)/C=C\c2cccnc2)ccc1SC 96314665 OHBQJQBTSGHRNA-ALCCZGGFSA-N 285.368 3.708 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1 102878162 OLJUMQAWZQZGHH-QGZVFWFLSA-N 285.387 3.656 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C)s2)c1 103028828 LIUCTZQDDPQIGV-UHFFFAOYSA-N 269.369 3.705 30 20 CHED C=CCCC(=O)[C@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 113653580 CZAIXPVHPMIOHO-BBRMVZONSA-N 298.386 3.814 30 20 CHED C=CC[C@H](C)NCc1cc(Cl)cc(Cl)c1O 116927216 JZSBNOMIFQEQSP-QMMMGPOBSA-N 260.164 3.753 30 20 CHED C[C@@H](C#N)Oc1ccc(CNc2cnn(C(C)(C)C)c2)cc1 122093887 KGVNFMWBIOAZJH-ZDUSSCGKSA-N 298.390 3.541 30 20 CHED COc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1Cl 125378682 RRZVKDQFMUWICW-DUXPYHPUSA-N 291.709 3.779 30 20 CHED C=CCCC(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 131205533 FHDMDPYVWGBMHC-CYBMUJFWSA-N 293.794 3.676 30 20 CHED C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(C#N)c(Cl)c1 135309584 RTXRDAZZRHGNSV-UWVGGRQHSA-N 277.755 3.616 30 20 CHED CC(C)c1ccc(OC[C@H](O)c2ccc(C#N)cc2)cc1 153427057 FRYAFPXWOGBUQF-SFHVURJKSA-N 281.355 3.794 30 20 CHED Cc1cc(C)cc(NC(=O)N(CCC#N)Cc2ccco2)c1 156051687 YZRFXNNSXPIDED-UHFFFAOYSA-N 297.358 3.844 30 20 CHED N#CCN(Cc1ccccc1OC(F)F)C1CCCC1 156657253 UPRCZGPPINVYKX-UHFFFAOYSA-N 280.318 3.556 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H](c2nc3ccccc3o2)C1 157637731 XIIFEBIZKKKXPF-CQSZACIVSA-N 297.402 3.947 30 20 CHED C=CCN(C)C(=O)CCCc1ccc2ccccc2c1 161562700 VPPMXIXAYHWPNM-UHFFFAOYSA-N 267.372 3.807 30 20 CHED CC1(C)CCC(C(=O)N(CCC#N)CC(F)(F)F)CC1 163594145 HUWGIISZYGHQHP-UHFFFAOYSA-N 290.329 3.507 30 20 CHED C=CCCC(=O)Nc1cnccc1Oc1ccccc1 171445149 CQWBSUVJZAUGFP-UHFFFAOYSA-N 268.316 3.779 30 20 CHED CC(C)CCN(CCC#N)Cc1cccc(F)c1F 173542649 ZXFXYBSNOSHSIT-UHFFFAOYSA-N 266.335 3.727 30 20 CHED C=CCCCCCN(C)C(=O)c1cccc2cc[nH]c12 173696694 SJCUIKJJZMWMDS-UHFFFAOYSA-N 270.376 3.986 30 20 CHED CC(C)[C@H](C(=O)OCCCC#N)c1cccc(Cl)c1 176731220 SMTNYTXOORVQAV-AWEZNQCLSA-N 279.767 3.927 30 20 CHED C=CCC(CC=C)C(=O)N1CCC[C@H]2CCCC[C@@H]21 176904317 PTUFLWVOXHABAD-ZBFHGGJFSA-N 261.409 3.936 30 20 CHED CCc1cnc(CN(C)[C@@H](C)c2ccc(C#N)cc2)s1 177769513 HLCNNYHJZNAICO-LBPRGKRZSA-N 285.416 3.770 30 20 CHED CCN(C(=O)C1[C@H]2CCC[C@@H]12)[C@@H](C)c1ccc(C#N)cc1 178282893 KPMGEDPCCZDOQG-QIXHYMPYSA-N 282.387 3.514 30 20 CHED C#CCCCNC(=O)N1CCC[C@@H]1CCCc1ccccc1 178731961 VHQXRUKDUQGDNI-SFHVURJKSA-N 298.430 3.597 30 20 CHED CCC[C@H](C(=O)N(CC#N)c1ccccc1)C(C)C 179274245 XTWWQYFMDNRKQY-HNNXBMFYSA-N 258.365 3.615 30 20 CHED N#C[C@H]1CCC[C@@H](NCc2ccc(OC3CCCC3)nc2)C1 185784554 FXMSMHDFINUJOB-GOEBONIOSA-N 299.418 3.575 30 20 CHED CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)CC#N 187594352 PQTUXWYKEAKBOJ-OAHLLOKOSA-N 288.391 3.592 30 20 CHED C=C(C)CN(CC)C(=O)NCc1ccc(Cl)cc1F 187857639 SJVUNJTUFQHYIX-UHFFFAOYSA-N 284.762 3.587 30 20 CHED Cc1ccc(C#N)cc1NC(=O)NCC(C)(C)C(C)C 187921730 VKHYMHPCXXNMOE-UHFFFAOYSA-N 273.380 3.670 30 20 CHED CC[C@@H](CC#N)OC(=O)c1cncc(-c2ccccc2)c1 188096782 WNJUZCZLIMVLRU-INIZCTEOSA-N 280.327 3.598 30 20 CHED C=C[C@](C)(CC)C(=O)NC[C@H](OC)c1cccc(Cl)c1 188466108 DRUVQSDZSZHJFV-GOEBONIOSA-N 295.810 3.746 30 20 CHED C=CC[C@H](C(=O)Nc1nc(C)cs1)c1ccccc1 189445722 WLTTYQVWKUDQIH-ZDUSSCGKSA-N 272.373 3.750 30 20 CHED CCOc1ccc(NCc2ccc(C#N)c(F)c2)cc1 190329193 YCLZSZAZYXQRLB-UHFFFAOYSA-N 270.307 3.708 30 20 CHED C#CCCCC(=O)N[C@H](CC(C)C)c1ccccc1OC 192365580 ASUWIPNXUVOYGQ-MRXNPFEDSA-N 287.403 3.702 30 20 CHED C=CCCCCCS[C@@H](C)C(=O)NCC(F)(F)F 192550179 RFBUBLVCDPLERK-JTQLQIEISA-N 283.359 3.533 30 20 CHED C=C(C)CN(CC)C(=O)/C=C/c1ccc(Cl)s1 192964036 XHVNSZGUKDKJBB-SOFGYWHQSA-N 269.797 3.839 30 20 CHED C=CCN(Cc1cccs1)C(=O)Cc1ccsc1 193643024 UYJHMVRCASCTFG-UHFFFAOYSA-N 277.414 3.567 30 20 CHED C=CCSCCNC(=O)c1ccc(CSCC)cc1 194476701 HZHRPKZRAMRYFK-UHFFFAOYSA-N 295.473 3.589 30 20 CHED CCCCCCCCCN(C)C(=O)c1ccc(C)[nH]c1=O 194666467 ZXPUAFZNNAMLLJ-UHFFFAOYSA-N 292.423 3.506 30 20 CHED C=CCSCCN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 230666531 UIIQESHAYKCRTO-CHWSQXEVSA-N 277.433 3.758 30 20 CHED Cc1ccc(F)c(CNc2ccc(CC#N)cc2)c1 230852153 JAHUWMWGKCCWTJ-UHFFFAOYSA-N 254.308 3.812 30 20 CHED CCOc1ccc(Nc2nccc(C#N)c2Cl)cc1 233793861 KECGWDPZMNXZNY-UHFFFAOYSA-N 273.723 3.749 30 20 CHED N#Cc1sc(NCCc2cc(F)cc(F)c2)nc1Cl 236282440 KWKRPYKUMBQHTC-UHFFFAOYSA-N 299.733 3.601 30 20 CHED C#CCOc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1 236696227 VEIQINTWBDUIEH-UHFFFAOYSA-N 297.373 3.863 30 20 CHED C=CCc1cc(CNC2(C)CCCCC2)cc(OC)c1O 237104049 PPKMNPSUJDQCEY-UHFFFAOYSA-N 289.419 3.942 30 20 CHED C=C[C@@H](CC(=O)N1[C@@H](C)CC[C@H]1C)c1ccccc1 247965507 DQWUGINXQJQSIP-ZNMIVQPWSA-N 257.377 3.746 30 20 CHED N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)C2CC2)C1 248912918 VPMVWFACYSOUFB-KBRIMQKVSA-N 254.377 3.810 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 249823389 IDBMNNIJRSVHRB-QEJZJMRPSA-N 268.360 3.632 30 20 CHED CON=C1C[C@H](c2ccccc2)Oc2ccccc21 254527539 MATFMUXRVJWSLS-MRXNPFEDSA-N 253.301 3.561 30 20 CHED CCc1ccc(C=NNc2oc(C(C)(C)C)nc2C#N)cc1 254850398 ZHHLMIAGMOLVSD-UHFFFAOYSA-N 296.374 3.852 30 20 CHED Cc1cc(C)c(C(=O)/C=C\c2cncs2)cc1C 255542949 MJSVHHYMILDNAI-PLNGDYQASA-N 257.358 3.964 30 20 CHED N#CCc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)cc1 270286877 NUKVCGJGBCXNLN-KRWDZBQOSA-N 282.387 3.547 30 20 CHED Cc1cccc([C@@H](C)NC(=O)c2ccc(CC#N)cc2)c1C 270340477 QKKDMSLPBUHFFW-OAHLLOKOSA-N 292.382 3.861 30 20 CHED C=CCN(CC(=O)Nc1ccc(Cl)cc1Cl)C1CC1 271480499 SNWKADGPLBYPPN-UHFFFAOYSA-N 299.201 3.582 30 20 CHED CC(C)COc1ccccc1-c1noc(C(C)(C)C#N)n1 273688089 DRSOPNIGACHUHQ-UHFFFAOYSA-N 285.347 3.573 30 20 CHED C=CCC[C@H](c1ccccc1)N1C(=O)[C@@H](C)N(C2CC2)C1=O 277139247 BVWYNAIADUVYBN-CZUORRHYSA-N 298.386 3.509 30 20 CHED CCc1cc(C)cc(CC)c1NC(=O)N(C)C[C@H](C)C#N 280716632 JFWKPPLQKAROIE-CYBMUJFWSA-N 287.407 3.743 30 20 CHED C=CCC[C@H](NC(=O)C[C@H]1CCC(=O)[C@@H]1C)c1ccccc1 281104144 GZAHSSDAPWXHJZ-OIISXLGYSA-N 299.414 3.815 30 20 CHED C=CC[C@H](CC)N[C@H](C)CC(=O)Nc1ccc(C)cc1C 281162008 BNHYFWAEOKBEDG-CVEARBPZSA-N 288.435 3.965 30 20 CHED C=CC[C@@H](CC)N[C@@H](C)CC(=O)Nc1cccc(C)c1C 281734453 VDMIXVRCKAUILW-GOEBONIOSA-N 288.435 3.965 30 20 CHED C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1SC 282058172 BWQPGBIGGBRJSG-STQMWFEESA-N 293.432 3.567 30 20 CHED C=C(C)C[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F 282264245 ADFAMCSKVQCCIV-SNVBAGLBSA-N 280.299 3.583 30 20 CHED C=C(CNC(=O)N(C)[C@H](C)C1(C)CC1)c1ccccc1 288037243 OCAWSIWDDCRLAZ-CQSZACIVSA-N 272.392 3.530 30 20 CHED C[C@@H](O)C[C@H](CNc1ccc(F)cc1C#N)c1ccccc1 290820882 SOZMGDGXHKGVLF-CZUORRHYSA-N 298.361 3.664 30 20 CHED N#CCC[C@@H](C#N)CSCc1c(F)cccc1F 290871259 ZSJXXCFZCQOTJA-JTQLQIEISA-N 266.316 3.642 30 20 CHED CC(=O)c1ccc(C#N)c(NCC(C)(C)c2ccccn2)c1 294864756 COCWBSFQRCGQGU-UHFFFAOYSA-N 293.370 3.546 30 20 CHED N#Cc1ccnc(NCc2cc(C3CC3)ccc2F)c1 294865219 DOFQYXVQSBAFJQ-UHFFFAOYSA-N 267.307 3.582 30 20 CHED C=CC(C)(C)c1nc(-c2cccc(NC(=O)C(C)C)c2)no1 295925915 JXXFGIXXCSEUFY-UHFFFAOYSA-N 299.374 3.795 30 20 CHED CCOc1ccc(CN(CCCC#N)C(C)C)cc1 299342136 ALEJZSANCXNLTK-UHFFFAOYSA-N 260.381 3.599 30 20 CHED CC(C)N(CCNc1c(C#N)cnc2ccccc12)C(C)C 301067394 DJTQHHTZCBFZFF-UHFFFAOYSA-N 296.418 3.637 30 20 CHED 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Cc1ccccc1OCCCN[C@H](C)c1cccc(C#N)c1 537295288 LHGDUPSKSPDVGK-MRXNPFEDSA-N 294.398 3.986 30 20 CHED C=CC1CCN(Cc2ccnc3ccccc23)CC1 537628241 UTPUUEMJTKNLKK-UHFFFAOYSA-N 252.361 3.633 30 20 CHED C=CC[C@@H](CC)NC(=O)N[C@H](C)Cc1ccc(C)s1 542186237 STTKENLNIGDHMH-DGCLKSJQSA-N 280.437 3.641 30 20 CHED Cc1c(Cl)cnc(NC(C2CC2)C2CC2)c1C#N 542277005 GQFYGQMNUMZITN-UHFFFAOYSA-N 261.756 3.516 30 20 CHED C[C@H](NCc1ccc(CC#N)cc1)c1cccc(F)c1F 544121258 DJPWBLSUGDZCPX-LBPRGKRZSA-N 286.325 3.882 30 20 CHED C=CC[C@H](CC)NC(=O)N[C@@H]1CCCC(C)(C)C1 544621963 OKPNQKFQZAVMJD-QWHCGFSZSA-N 252.402 3.609 30 20 CHED CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1 545458533 XXGXPXBSJUIPTI-GXFFZTMASA-N 270.298 3.940 30 20 CHED C=C(C)CN(Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 548944641 DYYVMJKSQHSSSD-CQSZACIVSA-N 289.419 3.880 30 20 CHED N#CCc1cccc(-c2nc(-c3ccc(F)cc3F)no2)c1 551101859 VRRJADBSHLGHID-UHFFFAOYSA-N 297.264 3.748 30 20 CHED CC(C)c1ccc([C@H]2CCCN2c2ccnc(C#N)n2)cc1 563426436 MAHMVWWDIGPMKD-MRXNPFEDSA-N 292.386 3.813 30 20 CHED COc1cccc([C@H]2C[C@H](Nc3nc(C)ccc3C#N)C2)c1 563596901 ZTQJCAVQQVFPJY-WKILWMFISA-N 293.370 3.628 30 20 CHED CCC[C@@H](CC1CCCCC1)C(=O)NCC1(C#N)CC1 565459544 SZRURTWYMDAOIZ-HNNXBMFYSA-N 276.424 3.793 30 20 CHED CC(C)CCN(Cc1ccc(C#N)cn1)C1CCCC1 566628282 LLVJOMFFWDQNDZ-UHFFFAOYSA-N 271.408 3.744 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)C2(C)CCCC2)cc1 570102850 BXRCMHZRPNCZPT-OAHLLOKOSA-N 270.376 3.510 30 20 CHED CC[C@H](CC#N)NCc1csc(CCc2ccccc2)n1 573456344 ZBOVQILTMIHMGR-OAHLLOKOSA-N 299.443 3.710 30 20 CHED CN(Cc1cccc(C#N)c1)C(=O)NCC1(C)CCCCC1 582213761 AQOLVZAJSVYAFH-UHFFFAOYSA-N 299.418 3.670 30 20 CHED CC[C@H](NC(=O)CCCCCC#N)c1ccc(OC)cc1 588255191 QDZYBVLDHGQYCN-INIZCTEOSA-N 288.391 3.737 30 20 CHED COc1cccc(OC)c1/C=C\C(=O)c1ccc(C)s1 588386594 LWDNIJFJPQBJPJ-HJWRWDBZSA-N 288.368 3.970 30 20 CHED C=CCN(C)C(=O)/C=C\c1cccc(OC2CCCC2)c1 588524625 HOUFSLWYKYSVBE-QXMHVHEDSA-N 285.387 3.666 30 20 CHED N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2ccc(C#N)cc21 589343303 MJXFWPIKPDUGDG-UXHICEINSA-N 299.377 3.694 30 20 CHED CCCCc1ccc(C(=O)NCC(C)(C)CC#N)cc1 590916032 YXRZPIMCFAGTCU-UHFFFAOYSA-N 272.392 3.699 30 20 CHED C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCC(C)(F)F 591808408 GQGFGGGFTRKOHY-LLVKDONJSA-N 280.318 3.513 30 20 CHED CC[C@@H](C#N)N(C)C(=O)C(C)(C)Cc1cccc(Cl)c1 594098731 VWWIWWGYUXLQGB-AWEZNQCLSA-N 292.810 3.669 30 20 CHED N#CCC1(CSCc2c(F)cccc2F)CC1 594898063 ZKQKZROZVZEQRC-UHFFFAOYSA-N 253.317 3.892 30 20 CHED N#Cc1ccc(CN[C@@H]2CC[C@@H]2c2ccccc2)c(F)c1 594995398 PKRJDMXZVDNJDE-SJLPKXTDSA-N 280.346 3.733 30 20 CHED Cc1ccc2c(c1)[C@H](Nc1nc(C#N)ccc1C)CC2 596123725 ONYLLWFLOBMBEW-MRXNPFEDSA-N 263.344 3.670 30 20 CHED C=C[C@H](CC(=O)NCC1(SCC)CC1)c1ccccc1 598328748 INHCPDSSMNXESO-CQSZACIVSA-N 289.444 3.748 30 20 CHED Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1C(F)(F)F 599243890 DPRYZCXXHXOBJA-AWEZNQCLSA-N 298.308 3.682 30 20 CHED Cc1ccc(C#N)cc1NC(=O)C1CCC=CCC1 602083753 AIYUTSYKGHCCIC-UHFFFAOYSA-N 254.333 3.552 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 602348316 JTODCYRQLCZKRZ-AGGDQXJMSA-N 296.414 3.904 30 20 CHED N#Cc1ccc(F)c(-c2ccccc2OC[C@@H]2CCOC2)c1 602421215 KVEHXBASWIQZGP-CQSZACIVSA-N 297.329 3.780 30 20 CHED Cc1ccc(C#N)cc1NC(=O)c1ccc(OC(C)C)cc1 604497937 YWUAMSLYTVHAGI-UHFFFAOYSA-N 294.354 3.906 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1c(Cl)cccc1Cl 604897044 AFPNXQVFCUSFCD-SECBINFHSA-N 287.190 3.757 30 20 CHED C=CCCCSCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 609804968 FVRFBIWAKDGIIW-MGPQQGTHSA-N 269.454 3.627 30 20 CHED CCc1ccc(C(C)(C)C(=O)N[C@@H](C#N)CC(C)C)cc1 611250221 FYMJSATYXMWWFT-MRXNPFEDSA-N 286.419 3.581 30 20 CHED Cc1ccc(-c2cnc(CN3CCC[C@](C)(C#N)C3)o2)cc1 612164761 IKRBVVGRCYJCRQ-GOSISDBHSA-N 295.386 3.776 30 20 CHED C=CCCO[C@H](C)C(=O)N(CCC)c1ccccc1F 637520630 RKYVZSCJRGPRRM-CYBMUJFWSA-N 279.355 3.550 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2nc(C)cs2)C1 660555388 YIIHMQXHKAPSHP-QWHCGFSZSA-N 293.436 3.510 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 679885342 GDISXOUXONTRPB-SECBINFHSA-N 298.333 3.838 30 20 CHED CC#CCCCc1nc(Cc2cccc(Cl)c2)no1 681023302 HAHYCSGJLRCJPB-UHFFFAOYSA-N 274.751 3.660 30 20 CHED C=CC[C@H](C(=O)N[C@H](C)C1CCC1)c1ccccc1 681668076 TVPCRMRCPVSJPQ-CJNGLKHVSA-N 257.377 3.651 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@H](CC)C1CCCCC1 682080878 WBSASXPDROSEJR-NVXWUHKLSA-N 281.440 3.690 30 20 CHED C=C(CC)CN1CCOc2c(Br)cccc2C1 684208671 QNWSOGOJYAUKNR-UHFFFAOYSA-N 296.208 3.610 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCC[C@H](C)CC 684782683 OYMGCRBKEDRFJA-VYDXJSESSA-N 281.440 3.690 30 20 CHED C#CCN(C(=O)c1cc(Cl)sc1Cl)C(C)C 688849556 MCPQGELLGFDAHE-UHFFFAOYSA-N 276.188 3.539 30 20 CHED N#Cc1ccc(NC2CCC(C3CCC3)CC2)nc1 695818449 SORJFMJQXZODLF-UHFFFAOYSA-N 255.365 3.724 30 20 CHED C[C@H](COCc1ccccc1)COc1ccc(C#N)cc1 719613762 SEDLYEHXUUNDCJ-OAHLLOKOSA-N 281.355 3.790 30 20 CHED Cc1ccc(C=NNc2ccc([N+](=O)[O-])cc2Cl)o1 727651591 HMUHGMHJTHOKBH-UHFFFAOYSA-N 279.683 3.596 30 20 CHED C#Cc1cccc(N(C(=O)C2CCCCC2)C(C)C)c1 728248443 SWCXPGPZAFDHMR-UHFFFAOYSA-N 269.388 3.990 30 20 CHED CC(=NNCCCOc1ccccc1)c1ccc(F)cc1 729147915 OGODANCMOKSURE-UHFFFAOYSA-N 286.350 3.608 30 20 CHED C=CCN(CC=C)C(=S)NC[C@H](CC)CCCC 730591077 HKKRLWPGJUKGFP-CQSZACIVSA-N 268.470 3.751 30 20 CHED C#CCOc1ccc(NC(=O)CCCC(C)(C)C)cc1 730981288 LUVVRAXFZOPXHT-UHFFFAOYSA-N 273.376 3.854 30 20 CHED CCc1ccc(C=NNc2cnc3ccccc3n2)s1 731153462 NCDROBHEQRTSQM-UHFFFAOYSA-N 282.372 3.700 30 20 CHED CCC(Cc1ccc(C)cc1)=NNc1cc(C)nc(C)n1 731925834 YNBNOJSQDWOEJZ-UHFFFAOYSA-N 282.391 3.822 30 20 CHED C=CC1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 732181412 VVXLVMICXNVAKR-UHFFFAOYSA-N 289.419 3.793 30 20 CHED C[C@H]1C[C@@H]1c1ccc(C=NNC(=S)Nc2ccccc2)o1 732763631 NJKMKYSZSWVUNQ-FZMZJTMJSA-N 299.399 3.724 30 20 CHED C#Cc1cccc(N(CC)C(=O)CO[C@H]2CCC[C@@H](C)C2)c1 732936290 JQZKPIXVZBBYPY-QAPCUYQASA-N 299.414 3.616 30 20 CHED Clc1ccc(NN=C(CC2CC2)c2ccccc2)nn1 735970966 MDMDNTQZFXFUMU-UHFFFAOYSA-N 286.766 3.746 30 20 CHED CCCCC(COC)=NNc1ccc(Cl)cc1 737413818 LDQXZJCKALGDCG-UHFFFAOYSA-N 254.761 3.945 30 20 CHED CCCCCCCCN1CCC[C@@H](c2nc(C)no2)C1 740875086 DAIIMJGLWOJHTK-OAHLLOKOSA-N 279.428 3.918 30 20 CHED C=CCCC(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 741321330 LCPSVTDRNWPTDF-LBPRGKRZSA-N 271.316 3.912 30 20 CHED COc1cccc(O)c1/C=N/[C@@H](C)C1CCCCC1 741466540 UYEBTFVTJIYKGT-OOIIIRTPSA-N 261.365 3.789 30 20 CHED C#CCN(CC)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 741547219 QFKXICGNMCRYAP-GFCCVEGCSA-N 297.320 3.681 30 20 CHED CCO[C@@H]1CC(=NNc2cccc(F)c2)C12CCCC2 743435386 DRKDRQCMPHSPFR-OAHLLOKOSA-N 276.355 3.963 30 20 CHED CC1(C)C(=NNc2cc(F)c(F)cc2F)[C@@H]2CCCO[C@H]21 743440784 YOBUTUMTKUEXFZ-RMLUDKJBSA-N 298.308 3.707 30 20 CHED Cc1cc(C)c(NN=C2COc3ccc(F)cc32)c(C)c1 743445511 YGIBLOAEYKCWRE-UHFFFAOYSA-N 284.334 3.960 30 20 CHED CC(=O)N(C)c1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1 743474492 UHFUQZJXGYYHMQ-CYBMUJFWSA-N 293.370 3.714 30 20 CHED C#CCN(C(=O)N[C@H]1CCC[C@H](C)C1)C1CCCCC1 744845418 ZNIDUFPHGZQUSA-GJZGRUSLSA-N 276.424 3.543 30 20 CHED Clc1ccc(NN=Cc2cc[nH]c2)c(Cl)c1 745193693 DMYPDPOPAJOYJH-UHFFFAOYSA-N 254.120 3.768 30 20 CHED CCC(=NNc1cc(F)cc(F)c1)C1CCOCC1 745196541 LYLPGXAALYKGPT-UHFFFAOYSA-N 268.307 3.569 30 20 CHED CCCCCCCCCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 745345907 NGPLOKCQTPJUSU-CVEARBPZSA-N 297.487 3.519 30 20 CHED C=CC[C@H](NC(=O)NC(CC)(CC)CC)c1ccncc1 745827017 FXJLTQCJMDTLNT-HNNXBMFYSA-N 289.423 3.967 30 20 CHED CO[C@]1(C)CC(=NNc2cccc3cnccc23)C1(C)C 746575472 HQLAHEKSQWGESW-QGZVFWFLSA-N 283.375 3.838 30 20 CHED N#Cc1ccc(CN(C[C@H]2CC2(Cl)Cl)C2CC2)cc1 746650792 KAUGQCPUNKKIGN-CYBMUJFWSA-N 295.213 3.716 30 20 CHED Fc1cc(NN=C2CCn3cccc32)ccc1Cl 747635899 SVXGBJVDVXELJV-UHFFFAOYSA-N 263.703 3.501 30 20 CHED Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc(C#N)s1 749004178 AKIBCSXPSAODKP-VOTSOKGWSA-N 298.323 3.733 30 20 CHED Cc1cc(NN=Cc2ccn(C)c2)ccc1Br 749859223 SRHQXLOUKYMUKK-UHFFFAOYSA-N 292.180 3.542 30 20 CHED Cc1cc(C(=O)/C=C/c2cc3cc(F)ccc3o2)no1 752878444 RTEVBDBCRGYMAW-ONEGZZNKSA-N 271.247 3.764 30 20 CHED CC/C(=C/C(=O)O[C@@H](C#N)CC)c1cccc(Cl)c1 753422655 YTQJDMVAPOZDHO-RBJHHQRMSA-N 277.751 3.979 30 20 CHED CCCCCCCNc1cccc2c1oc(=O)n2C 753715720 ZMSOIVVFWAITSW-UHFFFAOYSA-N 262.353 3.514 30 20 CHED O=C(/C=C\c1ccccc1C1CC1)c1cc(O)cc(O)c1 753717482 QRIXLKBYCMYDJY-FPLPWBNLSA-N 280.323 3.871 30 20 CHED Cc1c(C(=O)/C=C/c2cccc(F)c2)cccc1[N+](=O)[O-] 756786730 JCKGXBBAYKTKMS-CMDGGOBGSA-N 285.274 3.938 30 20 CHED C=C[C@@H](C)NC(=O)c1cc2c3ccccc3n(C)c2s1 757005194 YGKCGUJSSYAWMR-SNVBAGLBSA-N 284.384 3.697 30 20 CHED C#CC[C@H](NC(=O)N1CCC(C(C)C)CC1)c1ccccc1 757778794 QYUCQTJIWYTUAF-SFHVURJKSA-N 298.430 3.829 30 20 CHED C#CCCCC(=O)Nc1ccc(Cl)cc1-n1cccc1 758287379 YNDTWWWUGDXVHX-UHFFFAOYSA-N 286.762 3.873 30 20 CHED C=CCC(CC=C)C(=O)O[C@H](C)c1nc(C(C)C)no1 759008647 UJZGMSXHOVPLRQ-LLVKDONJSA-N 278.352 3.566 30 20 CHED Cc1cccc2c1C/C(=C\c1nc(Cl)cs1)C2=O 759082596 FONHOZJTIWFXLP-RMKNXTFCSA-N 275.760 3.927 30 20 CHED C#CCC(C)(C)COC(=O)/C=C\c1ccc2[nH]ccc2c1 760276026 ORWTVZLPIYBTCH-VURMDHGXSA-N 281.355 3.774 30 20 CHED C=CCOc1ccc(COC(=O)c2ncccc2CC)cc1 763641937 MPXXCUSNRSEXKZ-UHFFFAOYSA-N 297.354 3.566 30 20 CHED Cc1cc(OC(=O)c2ccccc2Cl)ccc1C#N 765094444 KYEYKEFLRQFISK-UHFFFAOYSA-N 271.703 3.739 30 20 CHED C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CC)COC)cc1 766093071 HBIKHOQEPMLFPR-HIFRSBDPSA-N 297.826 3.894 30 20 CHED C#CCCCNc1cc(F)ccc1OCC(F)(F)F 766729115 CAIVEDOYEPKTOT-UHFFFAOYSA-N 275.245 3.592 30 20 CHED CC(=NNc1ccc(F)cc1)c1ccc(C(C)(C)O)cc1 767360450 SXTRFUUHYQVDNM-UHFFFAOYSA-N 286.350 3.889 30 20 CHED C#CCC(C)(C)C(=O)OCc1ccc2ccccc2c1 767664603 PLUOEHDYQIKCPY-UHFFFAOYSA-N 266.340 3.933 30 20 CHED Cc1cc(NC(=O)CCCCCC(C)C)nn1CCC#N 767933909 QCWMAQJRCGWBHN-UHFFFAOYSA-N 290.411 3.650 30 20 CHED Cc1cc(OC(=O)/C=C/c2ccccc2C#N)ccc1F 768226129 CZXVFNKFIXGJGO-RMKNXTFCSA-N 281.286 3.625 30 20 CHED C[C@H]1CCC[C@@H](C=NNCc2ccc(F)c(F)c2)C1 768361784 WPCACSIFNHNYKI-NWDGAFQWSA-N 266.335 3.867 30 20 CHED CCCC1(C(=O)OCCCCC(C)(C)C#N)CC1 768769496 IQUWWAMTOZMPJZ-UHFFFAOYSA-N 251.370 3.830 30 20 CHED CCC1(C)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 769232838 ODPYPKZYIZHSDV-HNNXBMFYSA-N 286.419 3.990 30 20 CHED Cc1ccoc1C(=O)/C=C/C=C\c1ccccc1[N+](=O)[O-] 769784008 MNGORWQOJMASQF-NINQLNBYSA-N 283.283 3.949 30 20 CHED CCCCCCCCOCc1nc([C@H]2CCCOC2)no1 771606232 RVMITISEJHCJID-AWEZNQCLSA-N 296.411 3.841 30 20 CHED C#CCCCCN[C@@H](CCC)c1ccc(OC)cc1 773034603 DOYKSDJLBDDBQF-KRWDZBQOSA-N 259.393 3.930 30 20 CHED CC(C)c1nccnc1NN=C1CC[C@@H](C)C[C@H]1C 773086498 RXAVXLTUGACDOE-VXGBXAGGSA-N 260.385 3.824 30 20 CHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ccc(C#N)cc1 773201574 QGHKUYZLCWWWOY-CJNGLKHVSA-N 253.349 3.948 30 20 CHED COc1ccc(C=NOC2CCCC2)c(OC(F)F)c1 774596478 GINVFQMHNHYIMG-UHFFFAOYSA-N 285.290 3.590 30 20 CHED Cc1cccc(OCCCN[C@H](C)c2cccc(C#N)c2)c1 776162936 BZFBCAGKLPHWPC-MRXNPFEDSA-N 294.398 3.986 30 20 CHED Cc1cc(Cl)ccc1OC(=O)Cc1ccccc1CC#N 776736384 NJMVGSDQQVVWNK-UHFFFAOYSA-N 299.757 3.863 30 20 CHED N#CCc1ccccc1CC(=O)N(C1CCCCC1)C1CC1 776803364 JPIWDOOEAISWIG-UHFFFAOYSA-N 296.414 3.619 30 20 CHED CCOc1cccc(C(C)=NOCCC(F)(F)F)c1 777457917 BUXMGFQFDIAFMB-UHFFFAOYSA-N 275.270 3.778 30 20 CHED C=CCN(C(=O)NCc1ccc(Cl)cc1F)C(C)C 779661585 SQCSOFBASULLPU-UHFFFAOYSA-N 284.762 3.585 30 20 CHED C#CCCCCCC(=O)OCc1ccc2ccccc2n1 779754419 GWQWBHFNUSATPO-UHFFFAOYSA-N 281.355 3.862 30 20 CHED C#CCCCCCC(=O)N1CC[C@H](c2ccc(F)cc2)C1 779931369 UXAGIUOAJFWXDI-INIZCTEOSA-N 287.378 3.725 30 20 CHED Cc1cc(Cl)cc(C)c1C=NN[C@@H]1CCOC(C)(C)C1 780247049 OLBLAAVEXTWUGG-CQSZACIVSA-N 294.826 3.838 30 20 CHED C#Cc1cccc(N(CC)C(=O)c2ccc(C)cc2OC)c1 780593497 UJRYTXPOAVDBMX-UHFFFAOYSA-N 293.366 3.652 30 20 CHED CSc1ccc(C(C)=NNc2ccnc(F)c2)cc1 781129555 JGMYDTMYBLWXGS-UHFFFAOYSA-N 275.352 3.779 30 20 CHED CCc1ccc(NC(=S)N2CCC(CC#N)CC2)cc1 781543749 LMXAOXTZQWUCQW-UHFFFAOYSA-N 287.432 3.571 30 20 CHED C[C@@H](CC=NN1Cc2ccccc2C1=O)c1ccccc1 781598117 ZGKMBFXDLFSLNK-AWEZNQCLSA-N 278.355 3.822 30 20 CHED C=C(Cl)CN1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 781947581 MPSDGTJDFBPNOH-FZMZJTMJSA-N 286.202 3.854 30 20 CHED CCOc1ccc(C=NNc2cccc(OC)c2)cc1F 782178609 BKHGTSUBRCCCIV-UHFFFAOYSA-N 288.322 3.679 30 20 CHED CCCCNN=C(C)c1cc(Br)cs1 782204365 ZMFDQEPITWUVKY-UHFFFAOYSA-N 275.215 3.624 30 20 CHED CCc1nc(C)c(C(C)=NN[C@H]2CCCC2(C)C)s1 782299509 HCRNUPWRFKUYHT-LBPRGKRZSA-N 279.453 3.906 30 20 CHED CC(CCC(F)(F)F)=NNc1ccccc1C(=O)O 783817576 WBIMIVSYVGQNNZ-UHFFFAOYSA-N 274.242 3.515 30 20 CHED CC(=NOc1ccccc1C(F)(F)F)[C@H]1CCCO1 783862165 IZWOOUZLJSDYGV-LLVKDONJSA-N 273.254 3.639 30 20 CHED C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 786448986 LHLCYKANRFGGRE-QNSHHTMESA-N 290.775 3.782 30 20 CHED C#CCC1(C(=O)OCc2nc(C)c(C)s2)CCCCC1 788212353 HGGWJGVFKDBRNU-UHFFFAOYSA-N 291.416 3.777 30 20 CHED CC(=NOCc1cccnc1)C1CCC(F)(F)CC1 788719713 DJPAMCNGCPAJBO-UHFFFAOYSA-N 268.307 3.800 30 20 CHED Cc1cccnc1NN=Cc1cnc(C(C)(C)C)s1 790193101 SQWBHVPOKVTJBU-UHFFFAOYSA-N 274.393 3.590 30 20 CHED COc1ccccc1OC(=O)c1ccc(C(C)(C)C#N)cc1 792867254 IMRVQXUATOFYFB-UHFFFAOYSA-N 295.338 3.716 30 20 CHED CC(C)(C#N)CCCN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 792910712 VUCHSFGUXBQJLA-WCQYABFASA-N 289.250 3.832 30 20 CHED CC(=NNCC1(C)CCCC1)C1CCSCC1 793080395 AFBROYPXXAKGMZ-UHFFFAOYSA-N 254.443 3.675 30 20 CHED C=CCCCCC[C@@H](C)NCc1cc(CC)no1 793531068 CCNBNDFESKMTJS-CYBMUJFWSA-N 250.386 3.852 30 20 CHED CCc1ccc(N(CC(C)C)C(=O)c2c[nH]c(C#N)c2)cc1 794134516 MPSSOIHAMRUYHV-UHFFFAOYSA-N 295.386 3.752 30 20 CHED CC(C)[C@@H](C=NNc1nccnc1Cl)c1ccccc1 794511354 AKXSAGJYXRAUMJ-CYBMUJFWSA-N 288.782 3.968 30 20 CHED O=C(/C=C/C=C/c1ccc(F)c(F)c1)c1cscn1 794699184 APFRICMFXKVHAY-ZPUQHVIOSA-N 277.295 3.874 30 20 CHED Fc1cccnc1NN=C1CCCCc2ccccc21 794985623 UVWXNYQMUBADLQ-UHFFFAOYSA-N 269.323 3.763 30 20 CHED COCCCON=Cc1ccc(-c2ccccc2OC)cc1 795048220 JQFVFRGNDSVIKG-UHFFFAOYSA-N 299.370 3.749 30 20 CHED Cc1cc(C(=O)OCCCCC#N)c(C)cc1Cl 795933360 IKOQQAUTARVXHP-UHFFFAOYSA-N 265.740 3.808 30 20 CHED CC(C)(C#N)COC(=O)c1ccc(F)c2ccccc12 796827020 NTWIOAPPSXZPAP-UHFFFAOYSA-N 271.291 3.685 30 20 CHED CC(C)(C#N)c1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc1 796829621 LGCGXRAAVJADEL-AWEZNQCLSA-N 284.359 3.583 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cccc(OCC)c1 797998148 ATPRULRYSBQPKH-ZVZYQTTQSA-N 289.419 3.717 30 20 CHED COc1ccccc1CON=C1CCCc2cc(O)ccc21 799119349 KNZUBOGVFQTHPY-UHFFFAOYSA-N 297.354 3.658 30 20 CHED Cc1ccc(C(=O)N(C)C[C@@H](C)c2ccccc2)cc1C#N 799329529 BXZFTJNKIRFXHM-OAHLLOKOSA-N 292.382 3.742 30 20 CHED CC(COC(C)C)=NNc1ccccc1C(F)(F)F 799864030 ITJRQSNANAVGRH-UHFFFAOYSA-N 274.286 3.918 30 20 CHED CCCCCCC[C@H](C)NCc1ncnn1C(C)(C)C 800536717 VEFVAZIOXUPCBW-AWEZNQCLSA-N 280.460 3.872 30 20 CHED C[C@H]1CC[C@@H](C=NNCc2cccc(Cl)c2)C1 800814010 OEROTWNJFXZEFM-WCQYABFASA-N 250.773 3.852 30 20 CHED CCCCCCCn1cncc(-c2ccccc2)c1=O 800840019 VFWDZXGVHKVEAD-UHFFFAOYSA-N 270.376 3.881 30 20 CHED C[C@@H](C#N)OCCOc1ccc(-c2ccc(C#N)cc2)cc1 801653915 NDRLSQBESDCNAY-AWEZNQCLSA-N 292.338 3.533 30 20 CHED C=C(C)CCOC(=O)c1cccnc1SC(F)F 803241072 PJSDWZUJQPVGAS-UHFFFAOYSA-N 273.304 3.519 30 20 CHED C#CCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1 804835877 HQGFFSCSPVKUOS-UHFFFAOYSA-N 283.758 3.616 30 20 CHED N#CC1(CSc2nnc(-c3ccccc3)o2)CCCC1 806583904 OXZCMVIKKGTEKK-UHFFFAOYSA-N 285.372 3.913 30 20 CHED C#C[C@H](NC(=O)[C@H](C)CCCc1ccccc1)C(C)(C)C 807882769 ZXKPFHIQFJFZCN-WBVHZDCISA-N 285.431 3.810 30 20 CHED Clc1ccccc1C=NNc1nccnc1C1CCC1 807994329 NHDJZLYZQJYVFP-UHFFFAOYSA-N 286.766 3.844 30 20 CHED CC1(C)C(=NN[C@@H]2CCSC2)C[C@H]1c1ccccc1 808002196 WJKWDFPTCZPOSD-KGLIPLIRSA-N 274.433 3.651 30 20 CHED CN(C(=O)c1cnccc1C#N)c1ccc(C(C)(C)C)cc1 808292331 BGJYGNYJENMEIV-UHFFFAOYSA-N 293.370 3.527 30 20 CHED C=CCCCCOC(=O)c1csc(-c2ccoc2)n1 811008823 LNUJALRQHRIBDC-UHFFFAOYSA-N 277.345 3.916 30 20 CHED C=CCCCCOC(=O)c1cnc(-c2ccco2)s1 811010982 KCYOPTMRWKDQEN-UHFFFAOYSA-N 277.345 3.916 30 20 CHED C#C[C@H](N[C@@H]1CCC[C@@H](OC)C1)c1ccc(Cl)cc1 811517511 UQWCWSLQLQSNJA-OAGGEKHMSA-N 277.795 3.562 30 20 CHED Fc1cnc(NN=C2CCC3(CCCC3)CC2)nc1 811646181 NVTIXHSSQNRUOK-UHFFFAOYSA-N 262.332 3.518 30 20 CHED C[C@@H](Cc1ccccc1Cl)Nc1cccnc1C#N 811727825 PFBSRPIVSINDHZ-NSHDSACASA-N 271.751 3.650 30 20 CHED CC(CCc1ccc(F)cc1)=NOCCOC(C)C 812240633 PEDXBXMIKUTSDU-UHFFFAOYSA-N 267.344 3.576 30 20 CHED Cn1cc(C(=O)/C=C\c2ccc(C3CCCC3)cc2)cn1 812241158 DQLRKRRMJQYWEX-FLIBITNWSA-N 280.371 3.974 30 20 CHED N#CCCCC(=O)OCCCOc1ccc2ccccc2c1 812616517 GKACYQDJAVIOMM-UHFFFAOYSA-N 297.354 3.846 30 20 CHED CC[C@H](C)[C@H](C)C(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 813212185 ZDSDEZHMKJMAMZ-JBLDHEPKSA-N 298.308 3.959 30 20 CHED Cc1nc(N[C@H](C)c2ccc(N(C)C)cc2)ccc1C#N 813601935 BZMYWABWXHQNDR-GFCCVEGCSA-N 280.375 3.501 30 20 CHED C=CCCCOC(=O)Cc1c[nH]c2cccc(Cl)c12 814527994 QMEMVVHAGGSYBF-UHFFFAOYSA-N 277.751 3.873 30 20 CHED c1cnc2c(CNN=C3CCCc4occc43)cccc2c1 814803761 MFTKICZEADGULR-UHFFFAOYSA-N 291.354 3.658 30 20 CHED CC(C)(C)[C@H]1CC(=NNc2ccnc(F)c2)CS1 814902196 IGKPGCCGXOAJOV-LLVKDONJSA-N 267.373 3.540 30 20 CHED Cc1nc(C)c(C=NNc2ccc(F)c(F)c2F)s1 814945645 JTHHDQJUJFVJJN-UHFFFAOYSA-N 285.294 3.623 30 20 CHED C#CCSCCN[C@@H](C)c1cccc(C2CC2)c1 815594103 GFUCHKHDOOYARP-ZDUSSCGKSA-N 259.418 3.581 30 20 CHED C=CCNN=Cc1cnn(C2CCCC2)c1-c1ccccc1 817328009 QKDGVFLODVWEBY-UHFFFAOYSA-N 294.402 3.775 30 20 CHED C#CCCc1noc([C@@H](CC)Cc2ccccc2C)n1 818383841 GJCQYZIPXYZUBG-AWEZNQCLSA-N 268.360 3.680 30 20 CHED Cc1ccc(C2CC(=NN[C@H](C)c3ccncc3)C2)cc1 819814957 JOHXBDAKTVCDSE-XPCCGILXSA-N 279.387 3.974 30 20 CHED C[C@]1(CCNCc2cc(C#N)cs2)CC1(Cl)Cl 824971681 WRGVRFUVMPMZDE-NSHDSACASA-N 289.231 3.683 30 20 CHED C[C@@H](NC[C@@]1(C)CC1(Cl)Cl)c1ccc(C#N)cc1 828663791 ONBZCBPPFMIRRC-ZWNOBZJWSA-N 283.202 3.793 30 20 CHED C=CCC[C@H](NCc1occc1C(=O)O)c1ccccc1 833373029 DKSMOTVNFKLLFG-HNNXBMFYSA-N 285.343 3.775 30 20 CHED C#CCOc1ccc([C@H](C)NC[C@@H]2CCCC2(F)F)cc1 834886636 UTSOMXBBDXKOIG-ZFWWWQNUSA-N 293.357 3.785 30 20 CHED CC(C)(C)CC=NNc1cc(C(F)(F)F)ccn1 834984121 OKIAOZPFYIOUHJ-UHFFFAOYSA-N 259.275 3.934 30 20 CHED CC(=NN[C@@H]1CCc2c(F)cccc21)c1cnc(C)s1 835020441 LUELNHXBPHGSEA-CQSZACIVSA-N 289.379 3.592 30 20 CHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C#CC1CC1 837376252 BKXSRBRLBMSLCE-ROUUACIJSA-N 281.399 3.585 30 20 CHED N#CC1(CCOC(=O)c2ccc3c[nH]nc3c2)CCCCC1 840201136 LAGJRINDLLDWGR-UHFFFAOYSA-N 297.358 3.584 30 20 CHED C=CC(C)(C)CNC(=S)Nc1ccccc1CC 840794387 JDBOZUPJXQCXSW-UHFFFAOYSA-N 262.422 3.748 30 20 CHED C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)[C@@H](C)[C@H]1C 841889359 CHENXNKGPQMKAX-PMPSAXMXSA-N 285.435 3.513 30 20 CHED N#C[C@H](C(=O)/C=C\c1ccco1)c1nc(C2CC2)cs1 842939808 XXHVIYZQEPQKQV-FOQNGQEVSA-N 284.340 3.503 30 20 CHED N#C[C@@H](C(=O)C1=CCCCC1)c1nc(C2CC2)cs1 842944061 ICEBBBJMIHGDPZ-LBPRGKRZSA-N 272.373 3.697 30 20 CHED CCCCCCCC(=O)N1CC[C@H](c2cccnc2)C1 843635882 VBSLQRBHPCTSMT-INIZCTEOSA-N 274.408 3.758 30 20 CHED C=C(C)CONC(=O)Nc1ccc(OCCC(C)C)cc1 844551715 HCNOQCFOIBJQNK-UHFFFAOYSA-N 292.379 3.741 30 20 CHED O=C1/C(=C/c2ccnn2CC2CC2)Cc2cc(Cl)ccc21 849244725 IZQIVDBIJJRGEE-UKTHLTGXSA-N 298.773 3.769 30 20 CHED CCCC[C@H](CC)CNC(=S)N1CCC[C@@H](CC#N)C1 849272524 MQMXVYGDTULEBE-GJZGRUSLSA-N 295.496 3.703 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CCO[C@@H](CC)C1 851141456 AQWSUARNAIWVNI-WCVJEAGWSA-N 280.408 3.870 30 20 CHED C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(Cl)cc1F 851212268 IASMCMQZRCXIGS-SECBINFHSA-N 283.730 3.964 30 20 CHED C#C[C@](C)(CC)NCc1ncc(-c2ccc(Cl)cc2)o1 852098941 ZRWBLVLZSQTVLO-MRXNPFEDSA-N 288.778 3.887 30 20 CHED CCC(Cc1ccc(C(F)(F)F)cc1)=NNC[C@H](C)C#N 853323473 FGMIIQQDNFEIHE-LLVKDONJSA-N 297.324 3.763 30 20 CHED C/C(=C\C(=O)N(CCC#N)CC(C)(C)C)c1cccs1 857162839 RJLHPASGEMJOJK-ACCUITESSA-N 290.432 3.940 30 20 CHED C=CCN(C(=O)CCCc1ccsc1)C(C)(C)C 857650926 LMFBKBPZSNXGNT-UHFFFAOYSA-N 265.422 3.884 30 20 CHED C=CCOc1c(Cl)cc(CN[C@@H]2C=CCC2)cc1OC 858188474 FGKGOAPHTSTFRY-CYBMUJFWSA-N 293.794 3.722 30 20 CHED C=CCCNC(=O)[C@@H](CC)c1ccc(Br)cc1 862170381 MSBOAANCIBHGEJ-ZDUSSCGKSA-N 296.208 3.635 30 20 CHED COCc1cccc(/C=C2\CCc3scnc3C2=O)c1 863196405 IEWHCSQAFVNZEE-MDWZMJQESA-N 285.368 3.502 30 20 CHED CC(C)(C)c1cc(NCC2(CC#N)CC2)nc(Cl)n1 872530666 ZWYXUHWYDHSJEE-UHFFFAOYSA-N 278.787 3.533 30 20 CHED CCC[C@H](OCC)C(=O)Nc1sc(C)c(CC)c1C#N 875298063 SVSPJVFSOHETCJ-ZDUSSCGKSA-N 294.420 3.634 30 20 CHED C=CC(C)(C)CC(=O)Nc1cc(F)c(OC)cc1F 879147138 XAZNZPWOFUIRJM-UHFFFAOYSA-N 269.291 3.514 30 20 CHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1cccc(C)n1 879186848 LZFWQOVQJDZGLG-OAHLLOKOSA-N 272.392 3.656 30 20 CHED C=CC(C)(C)CC(=O)N[C@@H](C)c1nccn1-c1ccccc1 879999859 HPSGMJQLOPVCBQ-AWEZNQCLSA-N 297.402 3.652 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CCc2cccnc21 886626759 KFUWQEQKYHEWQM-QZTJIDSGSA-N 278.399 3.846 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@@H]1CCc2cccnc21 886626761 KFUWQEQKYHEWQM-ZWKOTPCHSA-N 278.399 3.846 30 20 CHED N#C[C@@H]1CC[C@@H](NCCc2ccc(Cl)c(Cl)c2)C1 886707756 QJCQOJNDBFXZOI-VXGBXAGGSA-N 283.202 3.818 30 20 CHED C=CC(C)(C)CC(=O)N(C)c1cc(Cl)ccc1C#N 889413444 XOMVXNYQCXIWHG-UHFFFAOYSA-N 276.767 3.777 30 20 CHED C=C1CCC(C(=O)Nc2ccccc2CCOC)CC1 890129949 GFDNUNNFVHBJPM-UHFFFAOYSA-N 273.376 3.560 30 20 CHED CC[C@H]1c2ccccc2CN1C(=O)Cc1cccc(C#N)c1 890613119 VUDNFIIKMHFFBR-SFHVURJKSA-N 290.366 3.594 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cc3c(nc2O)CCCC3)no1 897223634 STJNSESWGFRNGD-UHFFFAOYSA-N 299.374 3.570 30 20 CHED Cc1occc1C(=O)N(O)Cc1cccc2ccccc12 899895267 OFKGDQTUMXRCFO-UHFFFAOYSA-N 281.311 3.773 30 20 CHED CCCOc1ccc(/C=C2/C(=O)c3nccn3[C@H]2C)cc1 901560262 JKIPYDNNFZZGQZ-YGRGUWMTSA-N 282.343 3.513 30 20 CHED N#CCCCCSc1nc2ncc(Cl)cc2o1 901665759 AKLCIKJKQLNBFS-UHFFFAOYSA-N 267.741 3.662 30 20 CHED N#Cc1cccc(NC(=O)Nc2cnn(C3CCCC3)c2)c1 902956804 MUVFNTADRNISGB-UHFFFAOYSA-N 295.346 3.514 30 20 CHED CCCCOc1ccc([C@H](C)NCC2(C#N)CC2)cc1 903105881 IIDDNZHLSULZBR-AWEZNQCLSA-N 272.392 3.820 30 20 CHED N#CC1(CN[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 903107041 ZNHARLDTGHNVFT-UKRRQHHQSA-N 274.795 3.869 30 20 CHED N#Cc1ccc(CNC(=O)C2(C3CCCCC3)CC2)cc1 905966914 ZHNHCMMNQQNDJJ-UHFFFAOYSA-N 282.387 3.535 30 20 CHED C=CCCC(=O)Nc1c(F)cccc1NC(C)C 911934384 RSXDZYSLBASTRB-UHFFFAOYSA-N 250.317 3.551 30 20 CHED Clc1cncc(NN=Cc2cccc3ccccc23)n1 914559519 DTDBHSZAZZJJEU-UHFFFAOYSA-N 282.734 3.729 30 20 CHED CC(=NNc1nc(C)cc(C)n1)c1ccc(F)c(Cl)c1 915932443 ROMBRNCZDACFDH-UHFFFAOYSA-N 292.745 3.722 30 20 CHED Cc1ccc(NN=Cc2c(C)nc3scc(C)n23)cc1 916250365 XBKLLKJMQZFGRA-UHFFFAOYSA-N 284.388 3.767 30 20 CHED C=CCN(CC(=O)Nc1ccc2ccccc2c1)C(C)C 917166742 DKYJUUVECSIKPC-UHFFFAOYSA-N 282.387 3.675 30 20 CHED C=C(Cl)CS[C@@H](C)C(=O)N(C)c1ccccc1 917952850 IDWFHOJQORJBMG-NSHDSACASA-N 269.797 3.524 30 20 CHED Cc1cccc2c1OC/C(=C/c1ccccc1F)C2=O 920066724 JXEFSLPBXABUMH-LCYFTJDESA-N 268.287 3.793 30 20 CHED CSc1ccc(C=NNc2cccc(F)c2)cc1 920384424 VSOIZRKPHMLOLG-UHFFFAOYSA-N 260.337 3.994 30 20 CHED Cc1ccc2c(c1)C/C(=C/c1ccc3c(c1)OCCO3)C2=O 921264537 VOYICXLTPMYPGF-DHDCSXOGSA-N 292.334 3.589 30 20 CHED O=C1/C(=C/c2ccc(O)cc2)Cc2c(Cl)cccc21 921264836 ZNQNUSQEAVURCI-DHZHZOJOSA-N 270.715 3.868 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccc([C@@H]2CCOC2)cc1 926491154 AMMXOZYHPKZAOB-UKRRQHHQSA-N 272.392 3.931 30 20 CHED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C[C@H](O)CC#N 929730902 FXOCOXAHXPCCBI-HNAYVOBHSA-N 294.398 3.621 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](C)c1ccc(C)s1 930513323 LMLYQBXHIMHXND-VXGBXAGGSA-N 251.395 3.836 30 20 CHED CSCC1CCN(CCCCC2(C#N)CCC2)CC1 932585681 PAZKJBZYMMTODY-UHFFFAOYSA-N 280.481 3.926 30 20 CHED C=C(CC)CNC(=O)Nc1ccc(C(F)F)cc1 933097007 QAFYMQVMTVKISQ-UHFFFAOYSA-N 254.280 3.712 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@@H](c1cccnc1)C(C)C 934323803 YTGGEKZXNPDBRO-GOEBONIOSA-N 274.408 3.540 30 20 CHED C=CC[C@@H]1N(C(=O)c2cc3cnccc3[nH]2)CCCC1(C)C 935674617 HFGIVKPLKDRWMH-INIZCTEOSA-N 297.402 3.770 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)N[C@@H](CC=C)c1ccncc1 1123503828 ATEABGLJWBGHGI-SJORKVTESA-N 299.418 3.839 30 20 CHED N#Cc1cc(C(=O)NCC2CCCCCC2)ccc1Cl 1129045553 QTXVBKHLALODBE-UHFFFAOYSA-N 290.794 3.912 30 20 CHED CCc1nc(C#N)cc(NCc2csc3ccccc23)n1 1184857103 XPNWNAFZJYLMNG-UHFFFAOYSA-N 294.383 3.737 30 20 CHED C=C(Br)CNCc1ccccc1C(C)C 1200242985 CCJWFVDSDOAUOV-UHFFFAOYSA-N 268.198 3.808 30 20 CHED Cc1ccc(N(C)C(=O)Nc2cc(C#N)ccc2C)cc1 1215555513 AEQVWLZYSPIFPD-UHFFFAOYSA-N 279.343 3.843 30 20 CHED C=CCC(C)(C)c1nnc(-c2cc(OC)cc(OC)c2)o1 1253817062 XYGOAPVWVZZRGL-UHFFFAOYSA-N 288.347 3.608 30 20 CHED C[C@H]1CCC[C@@]1(C)c1nnc(-c2cccc(C#N)c2)o1 1261575447 ILNQXKPZYMHIKR-MEDUHNTESA-N 267.332 3.686 30 20 CHED CC[C@@H](CC(=O)[C@H](C#N)c1nccn1CC)c1ccccc1 1263617084 UNNMUUPLDJALOT-HOCLYGCPSA-N 295.386 3.663 30 20 CHED Cc1cc(C#N)nc(N[C@@H](C2CCCCC2)C2CCC2)n1 1307151530 XNORGXGECBNBBP-INIZCTEOSA-N 284.407 3.818 30 20 CHED CCOc1ccc(CSCc2ccccc2C#N)nc1 1319718740 ISOSEXOFUZAWSY-UHFFFAOYSA-N 284.384 3.785 30 20 CHED CC[C@@H](CNc1cccc(CC#N)n1)Oc1cccc(F)c1 1320491226 UBNUENBIDRRCNM-HNNXBMFYSA-N 299.349 3.556 30 20 CHED C[C@@]1(c2ccccc2)C[C@H]1Nc1c(C#N)cccc1C#N 1320813452 NMJHPOALCDYMHE-AEFFLSMTSA-N 273.339 3.572 30 20 CHED C=CCCCCCN1Cc2ccc([N+](=O)[O-])cc2C1 1322173820 DXWMNNJJUHCCID-UHFFFAOYSA-N 260.337 3.657 30 20 CHED Cc1cc(-c2nnc(-c3cccc(C#N)c3)o2)ccc1F 1322997925 ZDUIJFDVULHJAB-UHFFFAOYSA-N 279.274 3.723 30 20 CHED C=CCC(CC=C)C(=O)N(OC)[C@@H](C)c1csc(C)n1 1325265083 LSYNRIDERSJZPB-NSHDSACASA-N 294.420 3.671 30 20 CHED CC(C)(C)C#Cc1nnc(-c2ccc(Cl)cc2)o1 1327819333 QWLLPPRCKFSIKM-UHFFFAOYSA-N 260.724 3.788 30 20 CHED COc1cc(O)ccc1C=NNc1ccc(Cl)cc1 1337123940 XBWSALRCAVTOFX-UHFFFAOYSA-N 276.723 3.500 30 20 CHED C=C(C)CCC(=O)Nc1cn(C)nc1C1CCCCC1 1337302083 WLDSMJZBUZDISK-UHFFFAOYSA-N 275.396 3.763 30 20 CHED N#C[C@H]1CC[C@H](OC(=O)c2cc(-c3ccccc3)ns2)C1 1342574088 HLXIQGZYXJJVNE-AAEUAGOBSA-N 298.367 3.659 30 20 CHED Cc1ccccc1CN(C(=O)c1csc(C#N)c1)C1CC1 1344048130 VPOXMICPSZNRAD-UHFFFAOYSA-N 296.395 3.733 30 20 CHED Clc1ccccc1CNN=Cc1cccn1C1CC1 1344437386 FHMJIBJCXPPFEY-UHFFFAOYSA-N 273.767 3.600 30 20 CHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)c1ccc(F)c(F)c1 1345125557 UTHJWMIFINTGPS-WDEREUQCSA-N 295.329 3.940 30 20 CHED CC[C@@H](C#N)NC(=O)c1ccc2c(c1)oc1ccccc12 1345448439 DIKQEWQRTHMFSV-LBPRGKRZSA-N 278.311 3.618 30 20 CHED C=C(CC)C(=O)N(C)[C@@H](C)c1ccccc1Cl 1345589605 WGGVKNJZPOROLT-NSHDSACASA-N 251.757 3.826 30 20 CHED C#Cc1ccc(NC(=O)N2CCC[C@@H]2CCC=C)cc1 1345919320 CFHHZZGRBGEISD-INIZCTEOSA-N 268.360 3.630 30 20 CHED N#CC[C@@H](OC(=O)C1CCC=CCC1)c1ccco1 1346707441 RZVZNYOHRBTYCB-CQSZACIVSA-N 259.305 3.524 30 20 CHED C=C1CCN(C(=O)N[C@H](CC)c2ccccc2OC)CC1 1355303527 ZWNYTHNWBZEEJC-OAHLLOKOSA-N 288.391 3.508 30 20 CHED CCCOc1ccc(Nc2cc(C)c(C#N)cn2)cc1OC 1458515164 RNSONFBQZQQSME-UHFFFAOYSA-N 297.358 3.803 30 20 CHED CC(C)(C)[C@H]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 1466354978 QGFIFURHEFBYRL-IRXDYDNUSA-N 298.430 3.654 30 20 CHED Cc1ccc2c(c1)O[C@H](C)CN2C[C@@H](C)CCC#N 1474462568 KMFULJZPGBKGSG-UONOGXRCSA-N 258.365 3.522 30 20 CHED N#C[C@H](C(=O)/C=C\C1CCCCC1)c1cccc(F)n1 1524705941 VNFXGNGHDITESO-XPSMFNQNSA-N 272.323 3.533 30 20 CHED CCCC[C@@H](CC)CNC(=O)c1cc(C#N)ccc1F 1529725238 BSKMFMFLTFJXRM-GFCCVEGCSA-N 276.355 3.644 30 20 CHED C[C@@H](CN(C)C(=O)c1ccsc1C#N)C1CCCCC1 1531605848 WYEKZCJVGKBVHN-LBPRGKRZSA-N 290.432 3.908 30 20 CHED C[C@@H](C(=O)Nc1ccc(Cl)cc1C#N)C1CCCC1 1532005884 UQWORIMTYGHQSC-SNVBAGLBSA-N 276.767 3.976 30 20 CHED C=CC[C@H]1CCCC[C@H]1NCc1ccc(C(=O)O)cc1F 1602855675 XCZNBXQVJJHOJN-BLLLJJGKSA-N 291.366 3.748 30 20 CHED C/C(=C\c1ccccc1)CNc1n[nH]c(C2CC2)c1C#N 1651191137 LELWLXPPRSCCAA-FMIVXFBMSA-N 278.359 3.674 30 20 CHED Cc1ccc(C[C@H](C)Nc2cc(C)c(C#N)cn2)c(C)c1 1651519018 DVJAJGBRLZVFIL-HNNXBMFYSA-N 279.387 3.922 30 20 CHED Cc1ccc2c(c1)N(Cc1cccc(C#N)c1F)C[C@H](C)O2 1653536194 MQZMXPXWVYAQNQ-ZDUSSCGKSA-N 296.345 3.793 30 20 CHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Cl)ccc1F 1653886409 KFMDGPJMFHXXIH-JFGNBEQYSA-N 266.747 3.822 30 20 CHED C=C(Cl)CN1CCC[C@@]1(C)Cc1ccc(F)cc1 1653942818 UHSNVGBTEVSKGK-HNNXBMFYSA-N 267.775 3.975 30 20 CHED Cc1ccc(C)c([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)c1 1654032384 OBFMPHFBEVPGNB-KXBFYZLASA-N 294.398 3.559 30 20 CHED Cc1ccc(CCNC(=O)Nc2scc(C)c2C#N)cc1 1669736646 SOTXNYBBGQWYDU-UHFFFAOYSA-N 299.399 3.601 30 20 CHED C=C(CNC(=O)Nc1cccc(OC)c1C)c1ccccc1 1673082427 POMKUTJXGMIWKU-UHFFFAOYSA-N 296.370 3.839 30 20 CHED Cc1ccc(C=NNc2ccc(C(=O)O)cc2)c(Cl)c1 1776012433 SAUZDASWESUYBN-UHFFFAOYSA-N 288.734 3.793 30 20 CHED C=CCN(Cc1ccc(C)cc1)[C@@H](CCCC)C(=O)O 1776180165 PUQKPPYEFNWYGV-INIZCTEOSA-N 275.392 3.626 30 20 CHED C[C@H]1C/C(=C/c2cncc(C(=O)O)c2)C(=O)c2sccc21 1776589488 GHXHUBHWJDRLFZ-BVBCSLMJSA-N 299.351 3.615 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2ccsc2)cc1 5127861 GEXCJXWAIJEPKV-FPYGCLRLSA-N 257.358 3.710 30 20 CHED O=C1/C(=C\c2ccccc2Cl)Cc2c(O)cccc21 11335841 QPELJVLXGRLPFO-FLIBITNWSA-N 270.715 3.868 30 20 CHED N#Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1Cl 15564782 MYIYEUJYAZBHFN-UHFFFAOYSA-N 296.757 3.953 30 20 CHED CCc1ccc(NCc2ccc(C#N)cc2F)cc1 20053716 PYZBADOLCLBOTM-UHFFFAOYSA-N 254.308 3.872 30 20 CHED N#Cc1ccccc1-c1ccc(CSc2ncn[nH]2)cc1 23447542 JVNUCLBZZIFXDH-UHFFFAOYSA-N 292.367 3.636 30 20 CHED N#Cc1cccc(NCc2csc(-c3ccccn3)n2)c1 35054625 KBVYSNLVLOCSFO-UHFFFAOYSA-N 292.367 3.689 30 20 CHED C[C@@H](Cc1ccsc1)N[C@@H](C)c1cccc(C#N)c1 49157067 TYUYKMGDJRYDQN-STQMWFEESA-N 270.401 3.902 30 20 CHED C=C(Br)CN[C@@H](C)c1ccc(C)cc1 49556725 GYGMRIDBMOCARG-NSHDSACASA-N 254.171 3.554 30 20 CHED C[C@H](C#N)CNCc1cc(-c2ccccc2)cs1 54181634 HUHHCEUFCNDRSL-GFCCVEGCSA-N 256.374 3.664 30 20 CHED Cc1c(C#N)c(SCCOC(C)(C)C)nc2c1CCC2 65692079 FRCHULTWTZQWHS-UHFFFAOYSA-N 290.432 3.658 30 20 CHED C[C@H](CN(C)C(=O)c1cccc(CC#N)c1)c1ccccc1 66458550 UICYPFOZERDMGE-OAHLLOKOSA-N 292.382 3.628 30 20 CHED C#Cc1cccc(NC(=O)N(CCC(C)C)C2CC2)c1 76097246 UDAZBTBALHMNSK-UHFFFAOYSA-N 270.376 3.710 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1cc(C)oc1C 79840293 PSWIYPRPTFMEOO-UHFFFAOYSA-N 287.334 3.864 30 20 CHED C=CCCC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 81676838 RZSVTMOAZULJGW-UHFFFAOYSA-N 275.779 3.922 30 20 CHED CC(C)c1ccc([S@@](=O)Cc2ccccc2C#N)cc1 84260495 ZTMWZFKECIGGAA-HXUWFJFHSA-N 283.396 3.989 30 20 CHED Cc1ccc(OCCCC(C)(C)C#N)c([N+](=O)[O-])c1 87609031 RJYLUVVRDFDTSM-UHFFFAOYSA-N 262.309 3.612 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1cccc(C#N)c1 90537759 KWIQHJUFIJORJX-UHFFFAOYSA-N 270.719 3.772 30 20 CHED CC[C@H](CC#N)NCc1ccc(OC)c2ccccc12 94692411 KBRSADPAMWBBFN-CQSZACIVSA-N 268.360 3.630 30 20 CHED N#Cc1ccc(Oc2ccc(C=O)c3ccccc23)nc1 98180934 DHCHYAJILKJZOG-UHFFFAOYSA-N 274.279 3.711 30 20 CHED Cc1nc(CSCCOc2ccccc2C#N)cs1 105633927 ALELSGHJLAUQIS-UHFFFAOYSA-N 290.413 3.635 30 20 CHED O=C(/C=C/c1cccc(F)c1F)c1cccs1 107417554 SXKPZQRNTZVKFX-VOTSOKGWSA-N 250.269 3.922 30 20 CHED N#Cc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1 109469244 KMGFBXPIALRKFC-UHFFFAOYSA-N 281.702 3.929 30 20 CHED C[C@@H]1CCC[C@](C#N)(NC(=O)CCCC(C)(C)C)C1 116813275 YMHKOBZVAWYDGZ-CJNGLKHVSA-N 264.413 3.791 30 20 CHED C=CC[C@@H](C)NC(=O)Nc1ccc(F)cc1Cl 116996719 XZJAASMHPQLZLU-MRVPVSSYSA-N 256.708 3.565 30 20 CHED C=CCCO[C@H](C)C(=O)O[C@H](C)c1cc(F)ccc1F 120215280 LWMXDGNYMYABCO-GHMZBOCLSA-N 284.302 3.550 30 20 CHED CC(C)(C)c1ccccc1C(=O)Nc1ccc(C#N)cn1 123804498 MXNXGRMHIOKENP-UHFFFAOYSA-N 279.343 3.503 30 20 CHED N#CCOc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 123835532 HAHXOLHAWWQDHR-UHFFFAOYSA-N 283.718 3.786 30 20 CHED CCCCCCCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O 124590495 SRPVLFDDNOSZKJ-BBWFWOEESA-N 295.467 3.889 30 20 CHED C#CCCCCNC(=O)N[C@@H](c1ccccc1)C1CCC1 124774704 QNOPYVSWTLJTEL-KRWDZBQOSA-N 284.403 3.631 30 20 CHED CCC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 125607479 XRCOALNPHSNYHP-HOCLYGCPSA-N 299.418 3.841 30 20 CHED C=CCC[C@H](C)NCCCN(C)C1CCCCC1 130535550 SFBKUCBUSWMGAL-HNNXBMFYSA-N 252.446 3.585 30 20 CHED C[C@H](Nc1cnn(-c2ccccc2)c1)c1ccc(C#N)cc1 132480159 COOAPVUNWWDQEZ-AWEZNQCLSA-N 288.354 3.917 30 20 CHED C=CCn1c(SCc2ncc(C)o2)nc2ccccc21 133129601 AVTINYZNAUTIML-UHFFFAOYSA-N 285.372 3.811 30 20 CHED CC(C)OCc1cccc(NC(=O)c2ccc(C#N)cc2)c1 145967248 BITJOAZQEGXMDN-UHFFFAOYSA-N 294.354 3.736 30 20 CHED CC(C)c1cccc(OC[C@H](O)c2ccc(C#N)cc2)c1 153517759 SCXQWVIEPNCVGP-SFHVURJKSA-N 281.355 3.794 30 20 CHED C=CCC[C@@H](NC(=O)/C=C/C1CCOCC1)c1ccccc1 154224253 KHXVIYZYSHLYKK-DOJUMQAQSA-N 299.414 3.793 30 20 CHED Cc1ccc(C#N)cc1OC[C@H](O)c1cccc(Cl)c1 155273899 RZAOUTBGRVJDNT-HNNXBMFYSA-N 287.746 3.633 30 20 CHED N#Cc1ccc(CNCC2(Cc3ccccc3)CC2)s1 158899750 HTMVXTWBNFSRKK-UHFFFAOYSA-N 282.412 3.732 30 20 CHED CCCCCCCSCc1nc([C@@H](C)OC)no1 161911523 ISDRHYQRKYMCSQ-LLVKDONJSA-N 272.414 3.981 30 20 CHED C=CCN(CC1CCCCC1)C(=O)NCc1ccoc1 171977432 BFRFPYGUCJRUPW-UHFFFAOYSA-N 276.380 3.558 30 20 CHED C=CCOCCCC(=O)Nc1cccc(C(F)(F)F)c1 173021780 HPYMURXLJZIQFI-UHFFFAOYSA-N 287.281 3.627 30 20 CHED CC[C@@H](C(=O)NCc1cc(C#N)ccc1F)c1ccccc1 174414807 CKWRSTNVCAEUCE-MRXNPFEDSA-N 296.345 3.507 30 20 CHED CC1CCC(N2CCN(CCCC(C)(C)C#N)CC2)CC1 174865141 HKACCYYQXFMNDK-UHFFFAOYSA-N 291.483 3.513 30 20 CHED CCc1ccc(C(C)(C)C(=O)N(CC)C[C@@H](C)C#N)cc1 175580564 MWDZRTSOISICEE-AWEZNQCLSA-N 286.419 3.535 30 20 CHED CO[C@@H](C)c1nc(CNc2cccc(C#N)c2C)cs1 179053164 YYXVYDKJGOGDLA-NSHDSACASA-N 287.388 3.643 30 20 CHED CC(C)(C)C[C@@H](NCc1ccc(C#N)o1)C(F)(F)F 180366645 XZKQBTAEPJIOSR-LLVKDONJSA-N 274.286 3.608 30 20 CHED C=C(C)CN(C)C(=O)Nc1ccc(Cl)cc1F 181500396 USKQRDJDPGUZAV-UHFFFAOYSA-N 256.708 3.519 30 20 CHED N#CCN[C@@H](Cc1ccccc1Cl)c1ccccc1 181595369 JYPAUUFRAWSQAE-INIZCTEOSA-N 270.763 3.737 30 20 CHED C=CCCC[C@H](C)NC(=O)c1ccccc1OCC 182618899 GUBJZJQQXQDHJW-ZDUSSCGKSA-N 261.365 3.560 30 20 CHED COc1ccccc1CCCSc1cc(C#N)ccn1 182702484 OFZNITJEOUMUST-UHFFFAOYSA-N 284.384 3.687 30 20 CHED Cc1cc(C)c2ncc(C#N)c(N[C@H]3CCCOCC3)c2c1 183003743 WMDRVLUSIIUIFP-HNNXBMFYSA-N 295.386 3.704 30 20 CHED CC#CCCCC(=O)N1c2ccccc2CC[C@@H]1C 184999654 VVVJFNVGFLVEHZ-AWEZNQCLSA-N 255.361 3.548 30 20 CHED CCCc1cnc(NCc2ccc(C#N)s2)s1 185979869 OTKKWSYJWUUOEH-UHFFFAOYSA-N 263.391 3.641 30 20 CHED C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CCCC(C)C 187791466 UXWRYTBWJQYORK-GOEBONIOSA-N 269.429 3.546 30 20 CHED N#CCC(=O)Nc1cc(Cl)ccc1NCc1ccccc1 188039939 OJPGFBWPEXOVBH-UHFFFAOYSA-N 299.761 3.804 30 20 CHED C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1C=CCCC1 188255467 DFKPUZSXHGYJEZ-CYBMUJFWSA-N 287.334 3.523 30 20 CHED C=C[C@](C)(CC)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 188572028 UYGRHHUQRJQTHP-OAHLLOKOSA-N 285.309 3.665 30 20 CHED N#CCCC[S@@](=O)Cc1csc(C2CCCCC2)n1 190769181 JPCYYYYPKIJMPN-LJQANCHMSA-N 296.461 3.743 30 20 CHED N#CCCCSCc1cc(-c2cccs2)on1 190888972 QJIZYIVHCNBBSP-UHFFFAOYSA-N 264.375 3.940 30 20 CHED N#CCCCSCc1coc(-c2ccccc2)n1 190892215 YWDZZDVAGNMEPR-UHFFFAOYSA-N 258.346 3.879 30 20 CHED CC(C)[C@@H](CNCc1cc(C#N)n(C)c1)Cc1ccccc1 191623485 LGWBKKXKAPXWHQ-GOSISDBHSA-N 295.430 3.501 30 20 CHED C=CCN(CC=C)C(=O)c1occc1-c1ccc(F)cc1 193123927 SNIWMTRZZIFBNZ-UHFFFAOYSA-N 285.318 3.900 30 20 CHED CCCN(CCC)C(=O)Nc1cc(C#N)ccc1OCC 193730858 YTLKUKXKKJCXOZ-UHFFFAOYSA-N 289.379 3.611 30 20 CHED N#CCCCCN[C@H]1CCSc2c(F)cccc21 194155907 ZLTOWLSCVBVSTE-ZDUSSCGKSA-N 264.369 3.646 30 20 CHED C=CCSCCNC(=O)c1ccc(C(C)(C)C)cc1 195728674 UOENLFDSABTHDG-UHFFFAOYSA-N 277.433 3.633 30 20 CHED CCCCCCCOC(=O)c1ccccc1[N+](=O)[O-] 196419958 FSRRXYRYBZFTDZ-UHFFFAOYSA-N 265.309 3.722 30 20 CHED C[C@H](NCc1cccc(C#N)c1F)C1CCCCC1 221956223 AZZVQAYPUHDVQE-LBPRGKRZSA-N 260.356 3.756 30 20 CHED CSC1(CNc2ccc(C#N)c(Cl)c2)CCC1 227986084 FSCQBTVEHJDJPM-UHFFFAOYSA-N 266.797 3.909 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cc(Br)cs1 229855926 BWNLZPISQDQGCK-QMMMGPOBSA-N 287.226 3.711 30 20 CHED C#C[C@@H](CC)NCc1cc(Br)c(Cl)s1 229879429 KPOOHERVJZDAQF-ZETCQYMHSA-N 292.629 3.665 30 20 CHED CO[C@H](C)c1nc(CON=Cc2ccccc2F)cs1 255083013 NKLPELBGBKMQNG-SNVBAGLBSA-N 294.351 3.540 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2cc(F)cc(F)c2)c1 255140909 JDHIRHWRTUYMEO-PLNGDYQASA-N 269.250 3.733 30 20 CHED CC(C)(C)[C@H](NC(=O)CON=C1CCC1)c1cccs1 268575801 LBRYJZIGYIOBIH-CQSZACIVSA-N 294.420 3.508 30 20 CHED C=CCC[C@H](CC)NCc1ccccc1Cn1ccnc1 268771356 PYQDDVNIHGPRMZ-SFHVURJKSA-N 283.419 3.766 30 20 CHED C=CCCCCCN(C)C(=O)c1csc(NC2CC2)n1 269338227 PKHPIDWSDNRVKC-UHFFFAOYSA-N 293.436 3.536 30 20 CHED C=C(C)[C@H](CC(=O)Nc1ccc(CSC)cc1)OCC 270067196 QSCAGRLQXUFQQI-HNNXBMFYSA-N 293.432 3.859 30 20 CHED C[C@H]1c2ccsc2CCN1C(=O)c1ccc(CC#N)cc1 270192535 CQDAKRRMEBOGQM-LBPRGKRZSA-N 296.395 3.574 30 20 CHED C=CC[C@H](C)[C@@H](C)Nc1cccc(-c2nnc(C)n2C)c1 272220876 FTJJVALBZZSWHR-QWHCGFSZSA-N 284.407 3.803 30 20 CHED C[C@H](NC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1 272420732 LUMWNAANIYARTQ-JQRITLKVSA-N 272.392 3.555 30 20 CHED C=CCC1(C(=O)Nc2cccc(N3CCCC3)c2)CCC1 276928168 QZYHCWLQEQFOFR-UHFFFAOYSA-N 284.403 3.972 30 20 CHED CCc1c[nH]c(SCCCCC(C)(C)C#N)n1 277679115 LGAJYNKIESZUOI-UHFFFAOYSA-N 251.399 3.784 30 20 CHED CC1(C)CCCN(Cc2coc(-c3ccccc3)n2)[C@@H]1C#N 277778728 NPNZVZMVFFIXCF-MRXNPFEDSA-N 295.386 3.856 30 20 CHED CC[C@H](N[C@@H](COC)c1ccc(C)o1)c1ccc(C#N)cc1 278383199 DFSJSRCRIOMCKC-IRXDYDNUSA-N 298.386 3.888 30 20 CHED COc1cc(C)c([C@H](C)OC(=O)CC(C)(C)C#N)cc1C 278834372 QYGHXUPTQSQUAO-ZDUSSCGKSA-N 289.375 3.856 30 20 CHED CC[C@@H](NCC1(SC)CCC1)c1ccc(C#N)cc1 279133454 REEMHBLMNCQVQE-OAHLLOKOSA-N 274.433 3.885 30 20 CHED Cc1ccc(C)c([C@H]2CCCN2C(=O)CC(C)(C)C#N)c1 279163246 BJRVRKAFYHTSPF-MRXNPFEDSA-N 284.403 3.907 30 20 CHED CCCC(C#N)(CCC)NC(=O)c1ccc2oc(C)nc2c1 280045176 LUVNJKGRSKRADF-UHFFFAOYSA-N 299.374 3.729 30 20 CHED Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1C1CCCCC1 280627325 SLIAYPFANHXJHG-INIZCTEOSA-N 286.375 3.645 30 20 CHED C[C@@H](c1ccccc1)N(C)CCCC1(C#N)CCOCC1 281925811 HQOJJCMAYJHPDZ-INIZCTEOSA-N 286.419 3.780 30 20 CHED C=CCN(CC=C)C(=O)Nc1nc(C2CCC2)cs1 283131730 ZHDVCSNBSWOQPW-UHFFFAOYSA-N 277.393 3.617 30 20 CHED C=CCc1ccc(OC(=O)c2ocnc2C2CC2)c(OC)c1 288782938 FHPCUPLQWLNENW-UHFFFAOYSA-N 299.326 3.508 30 20 CHED C=C[C@H](Cc1nc([C@@](C)(CC)OC)no1)c1ccccc1 290248739 COQKFRMTJHJAOT-CXAGYDPISA-N 286.375 3.854 30 20 CHED C#Cc1cccc(NC(=O)N(CC)CC(C)(C)C)c1 291568979 VCXAKBRHIOIEHB-UHFFFAOYSA-N 258.365 3.568 30 20 CHED N#Cc1ccc(C(F)(F)F)nc1SC1CCC1 292435073 MDUZPOSDPZEDOV-UHFFFAOYSA-N 258.268 3.617 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](C)c1ccc(C#N)cc1 293154673 RTZIHHQLRNYPQT-CYBMUJFWSA-N 285.391 3.521 30 20 CHED N#CC1(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CCCCC1 294451747 ZWSUJKSFHPVUPA-HNNXBMFYSA-N 298.386 3.603 30 20 CHED CCc1ccc([C@@H]2CCN(C(=O)C3(C#N)CCCC3)C2)cc1 294606654 NQUXRQPJFLTLSD-QGZVFWFLSA-N 296.414 3.649 30 20 CHED C#CCCCCN[C@H]1CCCc2nc(Cl)ccc21 296657439 DXQKFSURCKZETF-ZDUSSCGKSA-N 262.784 3.506 30 20 CHED N#Cc1ccc(N2CCC(C(=O)c3ccccc3)CC2)cc1 296991634 YJQJPDFDILORQD-UHFFFAOYSA-N 290.366 3.658 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1cccc(F)c1C#N 301373300 UNVKOEWGUQNFTD-TYNCELHUSA-N 258.340 3.855 30 20 CHED CC(C)[C@H]1OCCC[C@@H]1CNc1cccc(F)c1C#N 301591172 QQADYFMQCJCEBR-MLGOLLRUSA-N 276.355 3.560 30 20 CHED C=C[C@@H](C)Nc1nc(-c2ccncc2)nc2ccccc12 301606235 NAHDBYTZOQJAMC-GFCCVEGCSA-N 276.343 3.678 30 20 CHED C=CCC[C@@H](Nc1ccc2nnc(C)n2n1)c1ccccc1 301787169 PKGKTTZAMTZAOI-OAHLLOKOSA-N 293.374 3.552 30 20 CHED N#Cc1ccc(NCCc2nc3ccccc3s2)c(F)c1 302400400 DSFYKBXNAFQXOB-UHFFFAOYSA-N 297.358 3.962 30 20 CHED N#Cc1ccc(NCC2(c3ccccn3)CC2)cc1Cl 302843618 FFAJKMJZISNZJK-UHFFFAOYSA-N 283.762 3.750 30 20 CHED N#Cc1cccc(C#N)c1Oc1ccc(Cl)cc1[N+](=O)[O-] 302855249 RLYIJLWGRCOODT-UHFFFAOYSA-N 299.673 3.784 30 20 CHED N#Cc1ccc(N[C@@H]2CC=CCC2)nc1N[C@@H]1CC=CCC1 302869980 BGBKFHYUWYAKRF-HZPDHXFCSA-N 294.402 3.994 30 20 CHED COc1cc(CCNc2cccc(F)c2C#N)ccc1C 303914844 SJGHMWVOWRQRDK-UHFFFAOYSA-N 284.334 3.669 30 20 CHED CSC1CCN(c2ccc(Cl)cc2C#N)CC1 305948824 IAIUXQBMSAUSTR-UHFFFAOYSA-N 266.797 3.543 30 20 CHED CCc1ccc(Nc2nc(Cl)c(C#N)s2)cc1 310504087 IRDPOWWISRSNJP-UHFFFAOYSA-N 263.753 3.974 30 20 CHED CC[C@H](C)CN(CC)c1nc(C)c(C#N)cc1Cl 310925163 CFVKDFZBRCTJHO-JTQLQIEISA-N 265.788 3.788 30 20 CHED C=CCCCCCCNCc1ccc(NC(C)=O)cc1 312478829 SZBCRKLUVOKETF-UHFFFAOYSA-N 274.408 3.871 30 20 CHED N#Cc1ccc(CSC2(CO)CCCCC2)c(F)c1 313135368 ONAFOTZSHLSITC-UHFFFAOYSA-N 279.380 3.626 30 20 CHED Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CCC[C@H]1C#N)CC3 329612773 DRVBOBLNKKEPLJ-VBQJREDUSA-N 293.414 3.616 30 20 CHED O/C(=N/[C@@H]1CCCOCC1)N[C@@H]1CCCCC12CCCC2 329825173 QVUAMHUCSUBZSS-HUUCEWRRSA-N 294.439 3.562 30 20 CHED CC1(/N=C(/O)CCc2nnc(C3CCCC3)o2)CCCC1 329902431 HQMVIMNZKRGKKA-UHFFFAOYSA-N 291.395 3.949 30 20 CHED Cc1cc2cc[nH]c2cc1N=C(O)[C@H]1CCCOCC1 330209461 BRLAOYWWYGPNMH-LBPRGKRZSA-N 272.348 3.881 30 20 CHED Cc1sc(NC(=O)CCC(F)(F)F)c(C#N)c1C 331300346 WCOODBQBKBTGPJ-UHFFFAOYSA-N 276.283 3.518 30 20 CHED CN(Cc1ccc(Br)s1)[C@@H]1CC[C@@H](C#N)C1 335903358 MWGMZTSYPSRMDX-NXEZZACHSA-N 299.237 3.635 30 20 CHED Cc1cccc(Cl)c1NC(=O)c1cccc(CC#N)c1 336450152 AIRWCGWWPWRGGJ-UHFFFAOYSA-N 284.746 3.967 30 20 CHED N#Cc1c(F)cccc1CN[C@@H]1CCCc2c(O)cccc21 336516149 HVIZZROYXUWNHK-QGZVFWFLSA-N 296.345 3.570 30 20 CHED CSc1ccccc1NC(=O)c1ccc(CC#N)cc1 340042394 FQDNNQWORAIZIL-UHFFFAOYSA-N 282.368 3.727 30 20 CHED N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC=CCC1 341761757 RSBUJUPBUFZWIS-RDTXWAMCSA-N 266.388 3.882 30 20 CHED N#CCCN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 342845686 KDDJDKMNCILIJP-ZIAGYGMSSA-N 282.309 3.845 30 20 CHED COc1ccc(CN(CC2(C#N)CC2)[C@@H](C)C2CC2)cc1 343144798 AWHUPOQZBKMRIN-AWEZNQCLSA-N 284.403 3.599 30 20 CHED Cc1cc(CN(C)Cc2ccccc2N(C)C)ccc1C#N 344134751 ZJCDCXCKIIHGPG-UHFFFAOYSA-N 293.414 3.565 30 20 CHED N#CCc1ccccc1NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 344341320 YGDIYFQFLWOKIX-VXGBXAGGSA-N 296.292 3.670 30 20 CHED C=CCN(Cc1cccs1)C(=O)[C@H]1CC[C@@H](C)C1 345061048 SOPCOZSCJPBTGB-OLZOCXBDSA-N 263.406 3.699 30 20 CHED C=CCn1c(SCCn2ccnc2C)nc2ccccc21 347884190 XGVUHWJZEJRHQE-UHFFFAOYSA-N 298.415 3.520 30 20 CHED CC(C)CCN(CCC#N)C(=O)C[C@@H](C)CC(C)C 349402059 RZZYMRZWHICFKL-HNNXBMFYSA-N 266.429 3.847 30 20 CHED CC(C)CC(C)(C)CNC(=O)NCC(C)(C)CCC#N 354074442 GOOCHWMEHBCVQQ-UHFFFAOYSA-N 281.444 3.688 30 20 CHED C=CCCC1(C(=O)NCc2ccc(C)cc2OCC)CC1 356354985 BUUXKCNIJPOUGJ-UHFFFAOYSA-N 287.403 3.756 30 20 CHED C[C@H](C1CCC1)N(C)C(=O)Nc1ccc(C#N)cc1Cl 357020121 NERVMOWUJFPRFM-SNVBAGLBSA-N 291.782 3.864 30 20 CHED C=CCN(C(=O)CSc1ccc(Cl)cc1)C1CC1 357495060 NYEFCEVHOMPJLD-UHFFFAOYSA-N 281.808 3.609 30 20 CHED Cc1cccc(CN(C)C(=O)c2cccc(C#N)c2C)c1C 358751875 PEUAYRRRULRDFH-UHFFFAOYSA-N 292.382 3.756 30 20 CHED CS[C@H](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 358933324 PMTSRZSWZOFXJR-SECBINFHSA-N 282.796 3.682 30 20 CHED C=CCCCC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 359080373 QDKCEASGXRJWEH-RDJZCZTQSA-N 291.366 3.518 30 20 CHED CCO[C@@H](CCNc1nc(C)c(C#N)cc1Cl)C(C)C 360084391 TUFWIGVDMGUHMD-AWEZNQCLSA-N 295.814 3.778 30 20 CHED CC(C)(CCC#N)CNC(=O)c1ccc(-c2ccccc2)[nH]1 360423456 IOXQCZNGYZNLIR-UHFFFAOYSA-N 295.386 3.741 30 20 CHED C=CCOc1ccc(C(=O)N2Cc3ccc(C)cc3C2)cc1 361321080 LNXLFBVKRCOVHF-UHFFFAOYSA-N 293.366 3.716 30 20 CHED CC#CCCCC(=O)N1CCC(C2CCCC2)CC1 372003861 QKICETWMLPKTFP-UHFFFAOYSA-N 261.409 3.609 30 20 CHED C#CCCCCC(=O)N1CCC[C@H]1/C=C/c1ccccc1 377236772 GLMIZJVHESCHSF-JJJPLKNQSA-N 281.399 3.884 30 20 CHED C=CCCCCCCNc1cc(C(=O)O)ccc1[N+](=O)[O-] 386538998 ZSOWXNBGACOVFP-UHFFFAOYSA-N 292.335 3.841 30 20 CHED CC1(C)CN(Cc2cc(C#N)ccc2F)[C@H]2CCC[C@H]21 393542604 FNNCRSNPACNYDH-ZBFHGGJFSA-N 272.367 3.708 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 397637734 XMDZOJVGMSPDLL-LBPRGKRZSA-N 282.309 3.831 30 20 CHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 410142812 ZZDWUSVAQXBDGX-SBJFKYEJSA-N 287.403 3.977 30 20 CHED C=CCN(C(=O)[C@H]1CCC[C@H]1c1ccccc1)C1CC1 410665075 URSORIBHKOZKIQ-IRXDYDNUSA-N 269.388 3.747 30 20 CHED C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1ncc(C)o1 411188708 DSPCGJHKGBTXMQ-CQSZACIVSA-N 281.359 3.604 30 20 CHED C[C@@H]1C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CS1 414224350 HOQVFNOSFHEADR-SRCQZFHVSA-N 286.444 3.809 30 20 CHED CC[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)[C@@H]1CC1(C)C 416066706 BPXIRAQOMJWTOV-RCBQFDQVSA-N 284.403 3.603 30 20 CHED N#CC1(CNC(=O)c2sccc2-c2ccccc2)CCC1 416353114 HTKAZUQTMZGQFO-UHFFFAOYSA-N 296.395 3.839 30 20 CHED C[C@@H](NCCCSCC#N)c1ccc(C2CC2)cc1 419362427 VCTGCJKCLRMGPY-CYBMUJFWSA-N 274.433 3.861 30 20 CHED C[C@@H](SC[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(C#N)cc1 419429413 UQTULYLVWNJTLM-RAEVTNRLSA-N 273.401 3.920 30 20 CHED C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 424534008 DAWVSEARPFARGW-IUODEOHRSA-N 256.349 3.517 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 424788953 JGTWMWLVYOVQOL-UHFFFAOYSA-N 298.390 3.538 30 20 CHED Cc1cc([C@H](C)Nc2c(C#N)cccc2[N+](=O)[O-])c(C)o1 425214594 JVFFDZUVTVPUBT-JTQLQIEISA-N 285.303 3.849 30 20 CHED C=C(C)[C@@H](NC[C@@H](OC)C1CC1)c1ccc(F)c(F)c1 425436081 VCBGRMRATQXCOB-HZPDHXFCSA-N 281.346 3.597 30 20 CHED C=C(C)[C@H]1OCC[C@@H]1CNCc1ccccc1C(F)(F)F 435738745 UEDSBFYQLIAXKR-UKRRQHHQSA-N 299.336 3.776 30 20 CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1cccs1 436287209 UCUBNYTYUOVFFQ-YDHLFZDLSA-N 265.422 3.770 30 20 CHED Cc1cc(CN[C@H](C)CCc2ccco2)ccc1C#N 443970902 JNZYRBDJIQUJCZ-CQSZACIVSA-N 268.360 3.571 30 20 CHED C=CCCCC[C@H](C)NCC(=O)Nc1c(C)cccc1C 449222346 WHAGBUQRXBAWLQ-INIZCTEOSA-N 288.435 3.966 30 20 CHED CC1(C#N)CCC(Nc2ccc(OC(F)F)nc2)CC1 449310551 HMBBPTJLHDPKKE-UHFFFAOYSA-N 281.306 3.567 30 20 CHED CCc1cc(OC)ccc1CNCc1ccc(C#N)c(F)c1 449736434 MJTIUVAZQFDNEQ-UHFFFAOYSA-N 298.361 3.558 30 20 CHED Cc1cccc([C@H](Nc2nccc(C#N)n2)C(C)(C)C)c1 450383151 YFKWSOZWPPJREP-HNNXBMFYSA-N 280.375 3.856 30 20 CHED C[C@H](c1ccccc1)N(CC1(C#N)CCC1)C1CC1 450525750 FXARJDWRDBMCRH-CQSZACIVSA-N 254.377 3.906 30 20 CHED N#Cc1ccc(NCc2cc(C3CC3)ccc2F)cn1 450583523 JMUICWIBSRQAID-UHFFFAOYSA-N 267.307 3.582 30 20 CHED CCSc1ccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 452561107 IKRUNZZRLBGZIT-JSGCOSHPSA-N 288.416 3.611 30 20 CHED CC(C)(C#N)CC(=O)Nc1ccccc1C(C)(F)F 452677296 UQWZOAYYMLQLIT-UHFFFAOYSA-N 266.291 3.677 30 20 CHED Cc1c(-c2noc([C@@]3(C#N)C[C@H]3C)n2)oc2ccccc12 453159480 DPCKCWZFKDRQLQ-JDNHERCYSA-N 279.299 3.592 30 20 CHED C=C(C)CCN[C@H](C)c1ccc(OCc2nccn2C)cc1 453312467 HAQFCYQDOZGQBW-OAHLLOKOSA-N 299.418 3.616 30 20 CHED C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(SC)cc1 453375921 XNQWYICOLXOLHQ-MAZHCROVSA-N 277.433 3.793 30 20 CHED C=C(CC)CNC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 455528152 WUGFBZQMUIEPMR-VXGBXAGGSA-N 292.345 3.621 30 20 CHED C=C(CC)CNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 455548574 WJHSJJXWRBSBPE-MRXNPFEDSA-N 284.403 3.889 30 20 CHED CC(C)[C@@H](C#N)NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 455563121 IOEGYTGPCZCEPG-GXFFZTMASA-N 298.308 3.630 30 20 CHED C=CCC1(CNC(=O)CSCC(F)(F)F)CCCC1 456483622 HNNCXNATTPGUHK-UHFFFAOYSA-N 295.370 3.535 30 20 CHED C=C(CC)CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 456831026 SFCXYADOQZAFDL-OLZOCXBDSA-N 263.768 3.526 30 20 CHED C[C@H]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C#N)cs2)C1 456985114 BUDXLAVHGFQHHR-GMXVVIOVSA-N 276.405 3.564 30 20 CHED C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](C)[C@H]1CC 460805454 ROVSPJIHXGSMGY-UKRRQHHQSA-N 288.439 3.747 30 20 CHED CCC[C@@H]1CCCCN1C(=O)[C@H](C)c1cccc(C#N)c1 462592557 NPMWWHAATZWQLO-RHSMWYFYSA-N 284.403 3.843 30 20 CHED CC1(C)CCCN(C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1C#N 463204253 QZLQTBMAHBDTLP-YESZJQIVSA-N 268.404 3.804 30 20 CHED C=C[C@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1Cl 464758274 YCRLXDWKWCOCKO-SMDDNHRTSA-N 278.783 3.761 30 20 CHED N#Cc1ccc(N2CCC(=Cc3ccccc3F)CC2)nc1 465057219 UKOOJZHTIDPRJL-UHFFFAOYSA-N 293.345 3.776 30 20 CHED C=CC1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 466130188 ONPPOOADVSKCLJ-HRCADAONSA-N 276.424 3.563 30 20 CHED C=CC[C@H](CC)NC(=O)N1CC[C@H](c2ccccc2C)C1 466397276 STFRZBHMXRPEIV-HOTGVXAUSA-N 286.419 3.849 30 20 CHED C=CC[C@H](CC)NC(=O)c1c(-c2ccccc2)noc1CC 466542301 UZTWVDWLLIMEJF-AWEZNQCLSA-N 298.386 3.989 30 20 CHED C=CCCN(C)C(=O)[C@H](C)Sc1ccccc1Cl 466647511 IGWAQFUUTQZPRX-NSHDSACASA-N 283.824 3.855 30 20 CHED Cc1cccc(C)c1CN(C#N)c1ccc(F)c(C#N)c1 467774725 ZJJQVIYVQXEZHY-UHFFFAOYSA-N 279.318 3.802 30 20 CHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C)CN(C)c2ccccc21 468012079 QFLYGFSDFWOFOH-KBXCAEBGSA-N 286.419 3.708 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 469752442 MMMSFRJJUNKYOR-HZPDHXFCSA-N 263.425 3.901 30 20 CHED C=CCOCCCNC1(c2ccc(Cl)cc2)CC1 470764299 GOGHIICVKOUVCA-UHFFFAOYSA-N 265.784 3.511 30 20 CHED C=CCN(C(=O)[C@H](C)Oc1ccc2ccccc2c1)C1CC1 471115657 ZSTNBKRASRVNIY-AWEZNQCLSA-N 295.382 3.784 30 20 CHED C=CCCCCNC(=O)N[C@@H](C)c1cccc(F)c1F 472771798 NFKZVTYZRRPLHC-NSHDSACASA-N 282.334 3.681 30 20 CHED Clc1cccc(C#CCN2CCCC3(CC3)C2)c1 473438830 PIUIAFODFJGBAQ-UHFFFAOYSA-N 259.780 3.568 30 20 CHED C=CCOCCCOc1cc(C)nc2cc(C)ccc12 478820640 FMYDNNJOIGGDAK-UHFFFAOYSA-N 271.360 3.823 30 20 CHED C[C@@H](Nc1cccc2c1CCO2)c1ccc(C#N)cc1 479516602 UZBOYCQJCRFPQL-GFCCVEGCSA-N 264.328 3.666 30 20 CHED CCOc1ccc(CNc2ccc(F)c(C#N)c2)cc1F 485974432 GOAKPQGWGNPOFE-UHFFFAOYSA-N 288.297 3.847 30 20 CHED COCC[C@H](NCc1ccc(C#N)c(C)c1)c1ccc(C)o1 488311505 SFJQTSJVUGMZOD-KRWDZBQOSA-N 298.386 3.636 30 20 CHED C=C(C)CNC(=O)N[C@H](CC)Cc1ccc(Cl)cc1 488601173 RSRIOUSWJIJZLW-CQSZACIVSA-N 280.799 3.536 30 20 CHED C=CCn1cccc1C(=O)N1CCCC[C@@H]1[C@@H](C)CC 488735158 NHHFLQZCDCEJJZ-LSDHHAIUSA-N 274.408 3.715 30 20 CHED C=C[C@H]1CCCCN1Cc1ccc(-n2ccnc2)cc1C 489511491 NDIXYQOKWARSQB-KRWDZBQOSA-N 281.403 3.721 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1ccc(CC)cc1 490038875 KQNRFJNGCKEIFZ-UHFFFAOYSA-N 273.420 3.900 30 20 CHED CC(C)N(CCC#N)C(=O)/C=C\c1ccc(Cl)s1 491437862 WTXHUHLAQAFGDH-ALCCZGGFSA-N 282.796 3.565 30 20 CHED C#C[C@H](C)N(C)C(=O)Nc1ccccc1-c1csc(C)n1 491535412 BMOCSKHEFVIVKC-NSHDSACASA-N 299.399 3.604 30 20 CHED C=CC[C@H]1N(C(=O)NCc2occc2C)CCCC1(C)C 494630763 KQELBOVPJDXDRB-OAHLLOKOSA-N 290.407 3.864 30 20 CHED C[C@H](NCCc1cccc(C#N)c1)c1ccc(F)cc1 503587786 YPROKFCCJITFSP-ZDUSSCGKSA-N 268.335 3.591 30 20 CHED N#Cc1ccc(CNc2cccc(-c3cc[nH]n3)c2)c(F)c1 505290654 RKLFJYUAADQLRM-UHFFFAOYSA-N 292.317 3.700 30 20 CHED CCCC1(C(=O)N[C@H](C#N)c2ccccc2Cl)CCC1 505629551 CLJHLEPZPAITAL-CQSZACIVSA-N 290.794 3.991 30 20 CHED C=CCCCCCN(C)Cc1c(F)ccc(O)c1F 508630714 GFWFDICTDJRITC-UHFFFAOYSA-N 269.335 3.849 30 20 CHED C=C(C)CCN(CCC)[C@@H](C)C(=O)Nc1ccccc1 509400426 PPKARHMZORARFM-HNNXBMFYSA-N 274.408 3.692 30 20 CHED Cc1c(C#N)cccc1C(=O)N(c1ccccc1)C(C)C 509567153 CDIFXOZEBSVLIK-UHFFFAOYSA-N 278.355 3.922 30 20 CHED C=C(CNC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccccc1 512674413 XCWXLRUEJFFXES-RHSMWYFYSA-N 286.419 3.920 30 20 CHED C[C@@H](CC(C)(C)c1ccccc1)NC[C@H](C#N)CCC#N 516452855 BOECJUYRORNONM-HOTGVXAUSA-N 283.419 3.776 30 20 CHED CN(C(=O)c1ccc(C#N)cn1)C1CCC(C(C)(C)C)CC1 522110727 NAKGXOXLEHFIKM-UHFFFAOYSA-N 299.418 3.630 30 20 CHED C=CC[C@H](C)NC(=O)N1CCC[C@H](Cc2ccccc2)C1 523943734 CQZMRYGWQLAZGW-DOTOQJQBSA-N 286.419 3.615 30 20 CHED C[C@H](N[C@@H](C)c1ncccc1F)c1ccc(C#N)c(F)c1 528035639 IWRBVHUDLKCZAE-QWRGUYRKSA-N 287.313 3.643 30 20 CHED C=CCC[C@@H](NCCc1cccc(OC)c1OC)C1CC1 533040294 ONKXOHYRKAJKCF-MRXNPFEDSA-N 289.419 3.581 30 20 CHED C=CCN(CC=C)C(=O)[C@@H](C)SCCc1ccccc1 533361877 HYXGLEMTEQQMPP-OAHLLOKOSA-N 289.444 3.551 30 20 CHED C=C(C)[C@@H](CC(=O)N(C(CC)CC)C1CC1)OCC 535883976 XVJZYMJCIIDLEG-OAHLLOKOSA-N 267.413 3.537 30 20 CHED C=C(CC)CSCC(=O)N(C)[C@H]1CCCC[C@@H]1C 536882464 WPCVPXFKSWSGFY-KBPBESRZSA-N 269.454 3.723 30 20 CHED CCC[C@H](C#N)NC(=O)[C@H](CC1CCCC1)C(C)C 537726595 YCSVBPYMCGXEMI-HUUCEWRRSA-N 264.413 3.647 30 20 CHED C=CCC[C@H](O)CN[C@H](c1ccccc1C)C(C)C 539262440 IEINWAMJPUPEFF-RDJZCZTQSA-N 261.409 3.609 30 20 CHED C=CCCC[C@@H](C)NC(=O)c1ccc2nc(C)c(C)nc2c1 539438116 VXLKYGZNOSCWPS-GFCCVEGCSA-N 297.402 3.721 30 20 CHED C=CCC[C@H](CC)NC1(c2ccc3c(c2)OCO3)CC1 539650122 CGHDPMMAOXHKAA-AWEZNQCLSA-N 273.376 3.739 30 20 CHED CCN(CCc1ccccc1)Cc1ccc(CC#N)cc1 544071306 BFUNEKZIFYJQAL-UHFFFAOYSA-N 278.399 3.817 30 20 CHED C[C@H]1CCN(Cc2cc(F)ccc2C#N)CC1(C)C 546125634 KAIYJDPZHXGRDI-LBPRGKRZSA-N 260.356 3.565 30 20 CHED CCc1ccc([C@@H]2CCCN(c3ccc(C#N)nc3)C2)cc1 557760387 BADSSCBUJUHPHF-QGZVFWFLSA-N 291.398 3.900 30 20 CHED CCCC[C@H](C)[C@H](C)NCCc1cccc(C#N)c1 558167031 WODVZWXCXMTLME-GJZGRUSLSA-N 258.409 3.905 30 20 CHED C=CCCC[C@H](C)N[C@H](C)c1cc(OC)ncc1F 558254375 CALOVSFSYUWXCC-NWDGAFQWSA-N 266.360 3.625 30 20 CHED C=CCOCCN1CC=C(c2cccc(Cl)c2)CC1 559187216 RHGWLQOAZCVNGV-UHFFFAOYSA-N 277.795 3.632 30 20 CHED C=CCOc1cccc(CN[C@@H](C)Cc2cccc(O)c2)c1 561467802 JOLRUSPRXQEDEM-HNNXBMFYSA-N 297.398 3.678 30 20 CHED CCOCC(C)(C)CN[C@H](C)c1ccc(C#N)cc1Cl 570123384 JOPMWXCQEAPZNN-GFCCVEGCSA-N 294.826 3.925 30 20 CHED CC[C@H](CC#N)NCCOc1ccc(Cl)cc1Cl 570580131 MYOAQTLRFPHNGO-LLVKDONJSA-N 287.190 3.654 30 20 CHED CC[C@@](C)(C#N)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 570788735 KKULNLHVHHRNJO-QAPCUYQASA-N 297.402 3.605 30 20 CHED C[C@@H](Sc1nc2c([nH]1)CCC2)c1cccc(C#N)c1 571471384 DRADFGWSMCZCAE-SNVBAGLBSA-N 269.373 3.623 30 20 CHED Cc1c(C(=O)N2C3CCC2CC3)sc2ccc(C#N)cc12 574019941 UYBBTQKJCZFUDX-UHFFFAOYSA-N 296.395 3.848 30 20 CHED C[C@H]1C[C@@]1(C#N)C(=O)Nc1ncc(C2CCCCC2)s1 578149657 ZNIUYKOOCFLASE-BONVTDFDSA-N 289.404 3.679 30 20 CHED Cc1ccnc(N[C@@H]2CCO[C@@H](c3cccs3)C2)c1C#N 578421921 ZDVSJAUVARJWEL-TZMCWYRMSA-N 299.399 3.655 30 20 CHED CC(C)(C#N)CCCN1CCCc2cc(C#N)ccc21 580707988 JTKIJWYNADMIIS-UHFFFAOYSA-N 267.376 3.641 30 20 CHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(F)c1 582235885 WSRXIGMBTHMAPU-JBLDHEPKSA-N 266.747 3.822 30 20 CHED CC(C)(C#N)CCCCN1CCC[C@H]1[C@H]1CCCOC1 582665329 WEKLSPHETKRCNQ-HOTGVXAUSA-N 278.440 3.597 30 20 CHED CC(C)N(C)c1ccc(/C=C\C(=O)c2ccccc2)cn1 588578407 ZDUJETDKKBOYDM-LUAWRHEFSA-N 280.371 3.822 30 20 CHED N#Cc1ccc(CN[C@@H]2CCCC23CCCCC3)nc1 590650458 ZUYBESJQNHKQLG-MRXNPFEDSA-N 269.392 3.546 30 20 CHED CC(C)[C@H]1CCc2c(sc(NC(=O)C3CC3)c2C#N)C1 591005202 GFGIJIKCMMXPRK-NSHDSACASA-N 288.416 3.729 30 20 CHED N#CCCC1CCN(Cc2ccnn2C2CCCC2)CC1 592517323 BQUVJFSTCQYKHF-UHFFFAOYSA-N 286.423 3.514 30 20 CHED CC[C@@H](C#N)C(=O)N(CC)C[C@H](CC)c1ccccc1 593615916 HLQQURWWCCKNIR-GJZGRUSLSA-N 272.392 3.578 30 20 CHED N#C[C@H]1CC[C@@H](NC(=O)CCC2CCCCCC2)C1 594050946 MPPKDHGDBBSIDC-LSDHHAIUSA-N 262.397 3.545 30 20 CHED C=CCN(CCC#N)C(=O)CCC1CCCCCC1 594363722 HKIVKUKKVVXWEH-UHFFFAOYSA-N 262.397 3.665 30 20 CHED CC[C@H](CN[C@@H](C)c1ccc(C#N)cc1)CC(F)F 595413851 XXARJWXWWRXBDX-RYUDHWBXSA-N 266.335 3.890 30 20 CHED CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](CC#N)C1 595488579 HRPCUINAHRSOQC-BZUAXINKSA-N 291.439 3.681 30 20 CHED CCN(CCCc1ccccc1Br)[C@H](C)C#N 595820145 KIRPNNBRWHOSHD-GFCCVEGCSA-N 295.224 3.616 30 20 CHED CCSC1(CNc2ccc(C#N)c(Cl)c2)CC1 596511683 QZSFGMQXOJVPBP-UHFFFAOYSA-N 266.797 3.909 30 20 CHED C[C@H](C#N)CN(C)Cc1ccc(Oc2ccc(F)cc2)nc1 596989444 AABRNBNMQXTWSQ-CYBMUJFWSA-N 299.349 3.604 30 20 CHED N#CC1(CC(=O)NCC[C@@H]2C[C@H]3C=C[C@H]2C3)CCCCC1 597825847 JWPRNWRQPBNHAP-HRCADAONSA-N 286.419 3.569 30 20 CHED CCC(C#N)(CC)C(=O)NCC[C@@H]1CCc2ccccc21 599975423 ATASTQAPGBDEFP-HNNXBMFYSA-N 284.403 3.553 30 20 CHED COC(=O)[C@H](C)c1ccc(-c2ccc(C)c(C#N)c2)s1 600793682 LDQALUSHSMMRIX-LLVKDONJSA-N 285.368 3.872 30 20 CHED C[C@@H](CC#N)NCc1cc(Cl)cc(Cl)c1F 601257581 SZCKWSVGPIQOLZ-ZETCQYMHSA-N 261.127 3.524 30 20 CHED CC[C@@](C)(C#N)C(=O)Nc1nc2c(C)c(C)ccc2s1 601793105 YVCGFIATAITJRI-HNNXBMFYSA-N 287.388 3.792 30 20 CHED C[C@@H](CCC#N)CNCc1cc(Br)ccc1F 602506984 MHPDERUNSXQNQU-JTQLQIEISA-N 299.187 3.618 30 20 CHED C[C@@H](CCC#N)CN[C@H](C)c1ccc(OC(F)F)cc1 602512213 RXOKTIFZAJEICI-NWDGAFQWSA-N 282.334 3.878 30 20 CHED CCS[C@@H]1CCCC[C@H]1NC[C@@H](C)CCC#N 602566049 UZWSVSXXIJWVAA-BFHYXJOUSA-N 254.443 3.580 30 20 CHED CC(C)CC1(CN[C@@H](C)CC2(C#N)CCOCC2)CC1 602571315 ZTPXALMVEAJGNQ-HNNXBMFYSA-N 278.440 3.501 30 20 CHED CCC1(CC)CN(C[C@@H](C)CCC#N)CCS1 602618452 SQLWBGFVIJIODK-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED C[C@H]1CCC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)[C@@H]1C 602643947 IVIZPXXSWYCLKP-HZMVEIRTSA-N 292.467 3.747 30 20 CHED CN(Cc1cccc(C#N)n1)[C@H]1CCC[C@@H]1c1ccccc1 602692170 VLPDAYHWKLTLBH-MOPGFXCFSA-N 291.398 3.721 30 20 CHED C[C@@H]1[C@@H](c2ccccc2)CCN1CC1(CC#N)CC1 602777292 CZGAJLAXAQIENT-ZBFHGGJFSA-N 254.377 3.558 30 20 CHED CC(C)C[C@@H](C#N)NC(=O)c1cc(Cl)cc(Cl)c1 608824356 XBLLEJRITCTWBT-LBPRGKRZSA-N 285.174 3.661 30 20 CHED Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C#N)CC(C)C 609701644 SUZCVVFBQQQIMC-GJZGRUSLSA-N 272.392 3.543 30 20 CHED CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1 610522683 IAESITQPQMNCKB-VVLHAWIVSA-N 296.414 3.711 30 20 CHED Cc1c(C(=O)N[C@H](C#N)C(C)(C)C)oc2c(F)cccc12 610659724 UWXLJXWWNMTNDD-GFCCVEGCSA-N 288.322 3.548 30 20 CHED Cc1cccc(C2(C(=O)N3CCC[C@](C)(C#N)C3)CCC2)c1 612369691 LLSAHAHRADIZNN-GOSISDBHSA-N 296.414 3.569 30 20 CHED C=CC1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 613423526 GWYPALVAXCCNJG-UHFFFAOYSA-N 269.392 3.653 30 20 CHED CC(C)(C)c1ccc(C#N)c(N[C@H]2CCC(F)(F)C2)n1 613429788 TWOOBTKTVMNZBA-NSHDSACASA-N 279.334 3.850 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2cc3ccncc3s2)C1 617777619 SYKFYZMAMTZJOH-LBPRGKRZSA-N 286.400 3.725 30 20 CHED C=CCC1(NC(=O)C[C@@H](C)CC(C)(C)C)CCOCC1 618246682 UUIDQZOCLMPRHG-CQSZACIVSA-N 281.440 3.690 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 619450161 RGTXCMAPOYYLHQ-FHLIZLRMSA-N 296.414 3.878 30 20 CHED C=CCCN(C)C(=O)Nc1ccc(OCCC)c(OC)c1 627140766 SNUIBERJSPATTE-UHFFFAOYSA-N 292.379 3.524 30 20 CHED C=CCCc1ccccc1NC(=O)c1cnc(C2CC2)o1 640265685 GJSIDWSIZVAQMY-UHFFFAOYSA-N 282.343 3.923 30 20 CHED C=CCN(Cc1nc(Cc2ccccc2C)no1)C(C)(C)C 661756620 STLPHRCICCYQAP-UHFFFAOYSA-N 299.418 3.755 30 20 CHED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C)C1 670232578 UCFDIGFLPQUVKX-CQSZACIVSA-N 290.455 3.679 30 20 CHED C=C(C)CN1CCC(N[C@H](CC)Cc2cccs2)CC1 675827535 BMBDOXLTXUXWDU-OAHLLOKOSA-N 292.492 3.699 30 20 CHED C=C[C@@H](CC(=O)N(C)CCOC(C)(C)C)c1ccccc1 677580664 VBYJQCGEPVDHPD-HNNXBMFYSA-N 289.419 3.620 30 20 CHED C=CCCC[C@@H](C)NC(=O)COc1cc(C)ccc1Cl 678881620 PYWDCYVACFZGDY-CYBMUJFWSA-N 295.810 3.888 30 20 CHED C=CCCOCC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 682012829 SSNRFENDJBUFEM-GJZGRUSLSA-N 281.440 3.690 30 20 CHED C[C@@H](CC(C)(C)C#N)NCc1cccc(Br)c1 709970277 GBSUGEJJYBRFSP-NSHDSACASA-N 295.224 3.867 30 20 CHED CC[C@@H](C)N(C)C(=S)Nc1ccc(C#N)c(Cl)c1 726468795 FSOQKUMHEWXXMI-SECBINFHSA-N 281.812 3.639 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@@H](C)SCCCC)c1 728480282 JXANDSCKSGECRH-CQSZACIVSA-N 289.444 3.943 30 20 CHED Oc1ccc2c(c1)CCCC2=NNCCCc1ccccc1 729146118 LVFLKUJDXRVHKJ-UHFFFAOYSA-N 294.398 3.655 30 20 CHED N#CCn1c(C(=O)O[C@H]2C[C@H]3CC[C@H]2C3)cc2ccccc21 729649513 VTEHVGPOPOVNBT-JDFRZJQESA-N 294.354 3.510 30 20 CHED Cc1cccc(/C=C\C(=O)c2cccc(O)c2)c1C 731156606 IFZVGLIFBFNGBJ-KTKRTIGZSA-N 252.313 3.905 30 20 CHED C/C=C/C(=O)Nc1ccccc1S[C@H](C)CC#N 731333165 XKPXZMAAFFPFTN-ZXCPCRMDSA-N 260.362 3.595 30 20 CHED CC(=NNc1cccc([N+](=O)[O-])c1C)C1CCCC1 733075975 FERGJUDRRCYTEX-UHFFFAOYSA-N 261.325 3.881 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ncc(C(C)C)o1 733309041 YJJACLQGXKYNBP-UHFFFAOYSA-N 295.386 3.858 30 20 CHED C=CC[C@@H](NCc1cccc2cc[nH]c12)c1ccncc1 734508674 BLLCLOXZORHAAV-QGZVFWFLSA-N 277.371 3.970 30 20 CHED N#Cc1ccc(Cl)cc1NC[C@H]1COc2ccccc2C1 736284357 UBKQRCYWORUFDF-LBPRGKRZSA-N 298.773 3.875 30 20 CHED COc1cccc(F)c1C(C)=NN[C@@H](C)c1ccccc1 741809812 JTDKYYOKIQRGDR-LBPRGKRZSA-N 286.350 3.909 30 20 CHED CCC(=NNc1ccc(Br)cc1)[C@H]1CCOC1 741848590 WXJOJINDYBRHJV-JTQLQIEISA-N 297.196 3.664 30 20 CHED C#CCOc1cccc(OC(=O)[C@@H](C)c2cccc(F)c2)c1 741925542 RXNLMLGJXWSGRW-ZDUSSCGKSA-N 298.313 3.547 30 20 CHED C=CCOc1ccc(OC(=O)CSCCC(C)C)cc1 742862171 SXVDFDFDULETHY-UHFFFAOYSA-N 294.416 3.936 30 20 CHED CC[C@]1(C)CCCN(CCCOc2ccc(C#N)cc2)C1 743860775 UJGJRSDMKXRQAD-GOSISDBHSA-N 286.419 3.839 30 20 CHED CC#CCOC(=O)CCCOc1ccc(C(C)(C)C)cc1 744453620 QARXNNORYJSPRW-UHFFFAOYSA-N 288.387 3.710 30 20 CHED C=CCN(C(=O)NCc1cc(C(CC)CC)no1)C(C)C 745865866 BTMANKBZRCYLGE-UHFFFAOYSA-N 293.411 3.684 30 20 CHED CCCCCCC[C@@H](C)CNC(=O)NCc1cc(C)no1 747301325 QUCNYYFGEJEQKD-CYBMUJFWSA-N 295.427 3.779 30 20 CHED CC(C)c1nc(C#N)c(NN=C2C[C@@H](C)C[C@H](C)C2)o1 747753844 NZVYGLGHMDEJNZ-QWRGUYRKSA-N 274.368 3.894 30 20 CHED Cc1cc(C)nc(NN=C2CCC(C)(C)C[C@H]2C)n1 748247634 VQQLKIJUPUBXDB-SNVBAGLBSA-N 260.385 3.708 30 20 CHED C=CCCCC(=O)Nc1ccc(N2CCCC2)cc1 748290189 MPBVKGPDVYLPAB-UHFFFAOYSA-N 258.365 3.582 30 20 CHED N#Cc1ccc(C=NNc2cccc(Cl)c2F)s1 748787095 ZKSKCXXYINEELW-UHFFFAOYSA-N 279.727 3.858 30 20 CHED CCC[C@H](C#N)NC(=O)/C=C(\C)c1cccc(Cl)c1 749933815 LWDJDOVGPIAAFV-BMGYJQCNSA-N 276.767 3.552 30 20 CHED O=C(/C=C/c1ccsc1)c1cc([N+](=O)[O-])ccc1F 752874558 MFNDUFVQSOQERC-DAFODLJHSA-N 277.276 3.692 30 20 CHED CC#CCOC(=O)Cc1cc2c(ccc3ccccc32)o1 753442441 HIOZSJYSUOXNFF-UHFFFAOYSA-N 278.307 3.695 30 20 CHED C#C[C@H](CC)NC(=O)Cc1csc2ccc(Cl)cc12 754371961 UTWLBWXZWNFMFX-GFCCVEGCSA-N 291.803 3.625 30 20 CHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccc2c(c1)OCO2 755571091 VPABNBOIOMWJCV-IWQZZHSRSA-N 288.249 3.590 30 20 CHED Cc1ccc(C(=O)OCCC(C)(C)C#N)c(Cl)c1 755653632 BNNODYCPVVZJIC-UHFFFAOYSA-N 265.740 3.745 30 20 CHED CC(C)(C)CC=NNc1cccc(C(F)(F)F)n1 755737705 AUNURQMKTPELGF-UHFFFAOYSA-N 259.275 3.934 30 20 CHED Fc1ccc(C(F)(F)F)cc1C=NO[C@H]1CCCCO1 755814155 LABOWYWBAGQDES-LBPRGKRZSA-N 291.244 3.722 30 20 CHED CC(CC1CC1)=NNc1nc(-c2ccc(Cl)cc2)no1 756829013 LDPDKKRYTTYFHE-UHFFFAOYSA-N 290.754 3.978 30 20 CHED COc1cccc(/C=C2/Oc3cc(F)cc(F)c3C2=O)c1 758028257 CUILPVBREGADNX-MKMNVTDBSA-N 288.249 3.590 30 20 CHED CCn1cc(/C=C2\CCc3c(Cl)cccc3C2=O)cn1 758038342 CKMZHVYNOTWUMY-XYOKQWHBSA-N 286.762 3.769 30 20 CHED Clc1ccccc1[C@H]1CCCC1=NNc1ncccn1 758106282 YZQPKGPBOSWKAO-GFCCVEGCSA-N 286.766 3.866 30 20 CHED O=C1c2ccccc2CN1N=C/C=C/c1ccc(F)cc1F 758127244 QNQNEWHEHACXBJ-VQFGHVAXSA-N 298.292 3.620 30 20 CHED C#CCCCCNC(=O)Nc1ccc(CCCC)cc1 758495643 LEDOYSDQVBMXDY-UHFFFAOYSA-N 272.392 3.954 30 20 CHED C#CCCCC(=O)N1c2ccccc2CC[C@@H]1CCC 758671511 AXDLLNINGUZITC-INIZCTEOSA-N 269.388 3.938 30 20 CHED C[C@@H](C=NOCC(F)F)c1cccc(Br)c1 758904247 SVJALSDPWKBBJX-QMMMGPOBSA-N 292.123 3.820 30 20 CHED FC(F)CON=C1CC(c2cccc(Cl)c2)C1 758909152 BJSWMXFKGGMXNM-UHFFFAOYSA-N 259.683 3.855 30 20 CHED COc1cccc2c1C/C(=C/c1ccc(F)cc1F)C2=O 759653424 QJPAUGOFQKFFAO-XFFZJAGNSA-N 286.277 3.796 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(Cl)nc1)C2=O 759664029 HUUWORKBPBKCIY-YRNVUSSQSA-N 285.730 3.566 30 20 CHED CC#CCCOC(=O)c1occc1-c1ccccc1 760287183 DCCKPVQTRIXWJK-UHFFFAOYSA-N 254.285 3.517 30 20 CHED C#CCOc1ccc(-c2nc(-c3ccccc3F)no2)cc1 761435230 DCIJNYTVHZPZMO-UHFFFAOYSA-N 294.285 3.555 30 20 CHED CC(=NNc1cnn(C)c1)[C@@H](C)c1nc2ccccc2s1 761868157 ZLJMZKFVQFVOEN-SNVBAGLBSA-N 299.403 3.621 30 20 CHED CCN(C[C@@H](O)c1ccc(C#N)cc1)c1cc(C)cc(C)c1 763491735 CLVGCWAGIOMQSR-LJQANCHMSA-N 294.398 3.735 30 20 CHED C[C@H](C#N)CN(C)C(=O)C=C1CCC(C(C)(C)C)CC1 765024105 BQJPMRLFGOIQAL-AFYYWNPRSA-N 276.424 3.767 30 20 CHED Clc1ccc2c(NN=CC[C@H]3CCOC3)ccnc2c1 765549258 UASNPFAIRGZEJR-NSHDSACASA-N 289.766 3.713 30 20 CHED C=C(C)CN1CCC(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 765837823 VHJUMCKWOMUXCF-ZHALLVOQSA-N 290.495 3.975 30 20 CHED Cc1cc(C=NNc2cc(F)c(F)cc2F)ccc1C#N 766449714 BQPFZILNLWFNLT-UHFFFAOYSA-N 289.260 3.730 30 20 CHED CC(C)(C#N)c1ccccc1COC(=O)[C@@H]1C[C@H]1C1CC1 768038614 NDZQXKZYOYSTKK-LSDHHAIUSA-N 283.371 3.577 30 20 CHED N#CCCCCOC(=O)C1CCC(C(F)(F)F)CC1 769437280 FOOWDUXVUZIQPG-UHFFFAOYSA-N 277.286 3.592 30 20 CHED N#CCCCOC(=O)c1ccc(Cl)cc1C(F)(F)F 770503709 XXHFMDBVXPGZJM-UHFFFAOYSA-N 291.656 3.819 30 20 CHED C=CCOCCCC(=O)OCc1ccc(C)cc1Cl 773430831 GCKYHUCLEKKHBX-UHFFFAOYSA-N 282.767 3.674 30 20 CHED CS[C@H](C)CCC(=O)[C@@H](C#N)c1nc2ccccc2o1 773760702 KGHHZGOTSYRAKS-GHMZBOCLSA-N 288.372 3.536 30 20 CHED CCOc1cc(C#N)ccc1OC(=O)[C@@H]1C[C@@]1(C)C(C)C 773973907 VCTJPEMTBIRJQU-GUYCJALGSA-N 287.359 3.545 30 20 CHED Cc1ncccc1/C=C1\CCc2ccc(F)cc2C1=O 776192434 JXAFEHIJHJHSHC-NTEUORMPSA-N 267.303 3.742 30 20 CHED N#Cc1cccc(C(=O)/C=C/c2nc3c(s2)CCCC3)c1 776264761 IFJCSTNHFHKNIF-CMDGGOBGSA-N 294.379 3.790 30 20 CHED Cc1cccc(CCC(=O)O[C@H](C#N)C2CCCCC2)c1 776366491 NYHHUMRHKBTEQP-QGZVFWFLSA-N 285.387 3.943 30 20 CHED CC[C@H](Oc1cccc(C)c1)C(=O)OCCC(C)(C)C#N 776394203 UJDKDDOOSNTGSM-HNNXBMFYSA-N 289.375 3.636 30 20 CHED COCc1ccc(C=NNc2nc3ccccc3cc2C)o1 776785475 GTBXUJVBOBZCLU-UHFFFAOYSA-N 295.342 3.729 30 20 CHED CC(=NN=c1cc[nH]c2ccccc12)C1CCSCC1 777437039 MFORYMPKMVPMGS-UHFFFAOYSA-N 285.416 3.588 30 20 CHED C=CC[C@@H](C(=O)NCCSC(C)(C)C)c1ccccc1 777740574 YRGKFZZABRXNHF-OAHLLOKOSA-N 291.460 3.994 30 20 CHED CCc1nc2ccccc2n1N=Cc1cc(F)ccc1C 777881580 FMRKKDIBOIJCKT-UHFFFAOYSA-N 281.334 3.928 30 20 CHED C#CCCCCCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 779712505 CIWYBCSBQLPUQY-UGUYLWEFSA-N 261.409 3.511 30 20 CHED Clc1cc(Cl)c2c(c1)CCC2=NN=c1cc[nH]cc1 779810437 AJNVJIZPUGQFEO-UHFFFAOYSA-N 292.169 3.573 30 20 CHED C#CCCCCCC(=O)O[C@H]1CCOc2ccccc21 780013491 OYAHNKXDKVVMFS-INIZCTEOSA-N 272.344 3.637 30 20 CHED C[C@@H]1CCCC(=NNc2cccc([N+](=O)[O-])c2)[C@@H]1C 781113800 HQAWXFRTCTXPAJ-GHMZBOCLSA-N 261.325 3.819 30 20 CHED CCSCCC=NNc1ccc([N+](=O)[O-])cc1Cl 781122450 OMSCTVAXCVUIJW-UHFFFAOYSA-N 287.772 3.789 30 20 CHED Fc1ccc2c(c1)C(=NNc1ccnc(F)c1)CCC2 781127058 KLCYRCMNEOCAGE-UHFFFAOYSA-N 273.286 3.512 30 20 CHED CC(C)(C#N)CNC(=O)C=C1CCC(C(C)(C)C)CC1 782100448 SIFIGBWSKOHPOP-UHFFFAOYSA-N 276.424 3.815 30 20 CHED CN(C)c1ccc(C(=O)/C=C/c2scnc2C2CC2)cc1 782306192 LSXPSIIGPOGAJY-MDZDMXLPSA-N 298.411 3.983 30 20 CHED COc1cc(C)c(C(=O)/C=C/c2cncs2)cc1C 783713291 OXILHLCFXXNDOV-SNAWJCMRSA-N 273.357 3.665 30 20 CHED CC(C)(C#N)CCCOC(=O)c1cc(Cl)cc(F)c1N 784922065 KVAAGCWZFGWJQO-UHFFFAOYSA-N 298.745 3.548 30 20 CHED C=CCC1(C(=O)OC[C@H]2CCC3(CCCC3)O2)CCC1 784927519 PNFOXGDGNZGIRM-CQSZACIVSA-N 278.392 3.768 30 20 CHED C=Cc1ccc(C(=O)OCc2cccc(C#N)c2)cc1 785623400 NMLSPWATLYTUAN-UHFFFAOYSA-N 263.296 3.558 30 20 CHED N#CCC1(OC(=O)/C=C\c2nc3ccccc3s2)CCC1 788134968 VKBYDXLQOOVKBS-SREVYHEPSA-N 298.367 3.689 30 20 CHED CCCCCCCC(=O)Nc1ccc(CCO)cc1OC 788202836 IMHLOHYACKUIFS-UHFFFAOYSA-N 293.407 3.529 30 20 CHED CC(CCc1cccc(C)c1)=NNCCc1ccccn1 789102717 FJRROJKOBSJHMU-UHFFFAOYSA-N 281.403 3.531 30 20 CHED CCOCC(C)=NNc1cc(Cl)cc(Cl)c1 790202615 SLGLOMOHPKBIGD-UHFFFAOYSA-N 261.152 3.818 30 20 CHED N#Cc1ccc(-c2ccn(CCCC3CCOCC3)n2)cc1 790428913 BQOVQSZMEMGGDB-UHFFFAOYSA-N 295.386 3.629 30 20 CHED C=CCCCC(=O)OCc1ccc(-n2ccnc2)cc1C 791400125 SPBJBRYBCACXEB-UHFFFAOYSA-N 284.359 3.580 30 20 CHED C=C(C)CNC(=S)N[C@@H]1CCC[C@H](c2ccccc2)C1 792697667 DLEGNTROHLYFQL-JKSUJKDBSA-N 288.460 3.753 30 20 CHED CC1(C)CCCC[C@H]1NN=C[C@]1(C)CCCS1 793051135 HFWNXLOPRZJZCZ-OCCSQVGLSA-N 254.443 3.816 30 20 CHED C=CCCCCC[C@H](C)NCCc1nccs1 793529779 VCECPTPPAAAMSJ-ZDUSSCGKSA-N 252.427 3.800 30 20 CHED C=CCCOc1ccc(CNC(=O)OC(C)(C)C)cc1 795231864 IQYVAGSROLTKOK-UHFFFAOYSA-N 277.364 3.666 30 20 CHED N#Cc1ccc(C(=O)OCc2cccc3ccccc23)o1 796151359 OFXOCBGHGOZBNU-UHFFFAOYSA-N 277.279 3.661 30 20 CHED CCCCCCCN1C[C@H](N2CCCC2)C[C@@H]1C 796429076 NERWOHTYOABASV-JKSUJKDBSA-N 252.446 3.515 30 20 CHED C=CCCCCOC(=O)[C@H](C)[C@@H]1OCCc2sccc21 797272857 POTXAGRIPZLCQF-DOMZBBRYSA-N 294.416 3.898 30 20 CHED CC(C)C[C@H](C)C=NNc1cc(C#N)cc(Cl)n1 799112246 RCONZTLARIIDHT-JTQLQIEISA-N 264.760 3.687 30 20 CHED COc1ccccc1CON=C(C)c1cc(F)cc(F)c1 799118272 XMDJMIPETFMZDZ-UHFFFAOYSA-N 291.297 3.914 30 20 CHED COc1ccccc1CON=C(C)c1nc(C)sc1C 799118461 HNHQMWIOFLCCBJ-UHFFFAOYSA-N 290.388 3.709 30 20 CHED COc1cccc(/C=C2\COc3c(C)cccc3C2=O)c1F 799892046 DKBSKIAGRKQYMW-UKTHLTGXSA-N 298.313 3.801 30 20 CHED N#Cc1c(F)cccc1C(=O)OCc1ccc2occc2c1 802854129 NKBQIILUPRHLNA-UHFFFAOYSA-N 295.269 3.801 30 20 CHED C#CCCCCCC(=O)NCc1ccc2[nH]c(C)cc2c1 803642570 NVQQJIMYUSAPLC-UHFFFAOYSA-N 282.387 3.676 30 20 CHED CC[C@@H](C)CCC(=O)OCc1ccc(F)c(C#N)c1 803878132 QKENZIUHRDXKFY-LLVKDONJSA-N 263.312 3.567 30 20 CHED C#C[C@@H](NC(=O)C[C@@H](C)CC)c1ccc(Cl)cc1F 804421127 JDNCEYISTRXNFY-IINYFYTJSA-N 281.758 3.706 30 20 CHED COc1cc(C)cc(CNc2nc(Cl)c(C#N)s2)c1 804566430 QSJRJDUXMVSMEQ-UHFFFAOYSA-N 293.779 3.597 30 20 CHED C=CCCCCCCCCNC(=O)N1CCSCC1 805136183 FBNRXYCUISFKRY-UHFFFAOYSA-N 284.469 3.662 30 20 CHED C[C@@H](CC(=O)OCCCSCC#N)CC(C)(C)C 805416371 WFOJZUYNNTWRLW-LBPRGKRZSA-N 271.426 3.639 30 20 CHED C=CCOc1cccc(NC(=O)N(CC(C)(C)C)OC)c1 806229558 HXTLBILBAWOOMZ-UHFFFAOYSA-N 292.379 3.693 30 20 CHED C#C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C(C)(C)C 808313910 HQDXCZGLMMPSIN-WFASDCNBSA-N 290.382 3.576 30 20 CHED CC(C)Cc1ccc(C(=O)/C=C\c2cnccn2)cc1 809153318 QYKIKVHBVMIIEF-FPLPWBNLSA-N 266.344 3.571 30 20 CHED Cc1cc2cc(C(=O)/C=C\c3cnccn3)oc2cc1C 809158919 YNPOPXBFTOBBBS-ARJAWSKDSA-N 278.311 3.736 30 20 CHED C[C@@H]1/C(=C/c2cccc(C#N)c2)C(=O)c2ccccc21 809158921 FSGDDPRANBMYCY-NJPLLEPOSA-N 259.308 3.942 30 20 CHED C=CCCCCOC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 811011263 QACDBKVTVGAVPC-UHFFFAOYSA-N 299.273 3.586 30 20 CHED COc1ccc(CCC=NOC/C=C/Cl)c(C)c1 811668254 CVVAYKWPPWRQPK-XLLJNETNSA-N 267.756 3.691 30 20 CHED C=CCCCCCCCNC(=O)NCc1ccncc1C 811928038 XMHKWUXKGHLZIH-UHFFFAOYSA-N 289.423 3.716 30 20 CHED CC(C)OCCON=CCc1ccc(C(C)C)cc1 812240699 YLONPQIAKNSLBG-UHFFFAOYSA-N 263.381 3.780 30 20 CHED Cc1ccc(NN=Cc2cn[nH]c2-c2ccc(F)cc2)cc1 812372402 IXJVOJQBYIGZEG-UHFFFAOYSA-N 294.333 3.970 30 20 CHED C#Cc1ccccc1CC(=O)N(c1ccccc1)C(C)C 812923065 OLDJBNMXYLVOQL-UHFFFAOYSA-N 277.367 3.652 30 20 CHED Fc1ccc(N2CCC(=NOCCC3CC3)CC2)c(F)c1 814246079 SIOIZDFEAOKPSB-UHFFFAOYSA-N 294.345 3.738 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cnc(Cl)c(C)c1 814664129 LZBOHWWMQXCURW-UHFFFAOYSA-N 281.787 3.767 30 20 CHED O=C(O)c1ccccc1NN=C1CCCC12CCCC2 814768953 PZXAITMNCMNPKL-UHFFFAOYSA-N 272.348 3.897 30 20 CHED Clc1cccc(Cl)c1NN=Cc1nccs1 814872386 VSOYMLBCARJGKN-UHFFFAOYSA-N 272.160 3.896 30 20 CHED Fc1cnc(NN=C2CCCCC23CCCC3)nc1 814888652 JTFDPVAKWLGROX-UHFFFAOYSA-N 262.332 3.518 30 20 CHED C[C@H]1C[C@@H](C(=O)O)CCC1=NN1CCC(C(C)(C)C)CC1 814913122 HIRWVZFYWRIUAX-STQMWFEESA-N 294.439 3.621 30 20 CHED CCCC(=NN[C@@H]1CCCC1(C)C)c1ccccn1 814917865 UJRPIWWTVNJPGN-OAHLLOKOSA-N 259.397 3.754 30 20 CHED CC(=NNCc1c(Cl)cccc1Cl)c1c[nH]nc1C 814938175 GXGKXIVPKVCUMT-UHFFFAOYSA-N 297.189 3.539 30 20 CHED CCC/C(C)=C/C(=O)N(C)[C@H](C)c1cccc(C#N)c1 819736734 OEXYJZULVQDBPF-JWAFFJSPSA-N 270.376 3.824 30 20 CHED C=C[C@@H](CC)CC(=O)NC[C@H](CC)CC(F)(F)F 822680742 GWUUSEHVKLXHER-WDEREUQCSA-N 265.319 3.684 30 20 CHED CCCC[C@@H](CCC)N[C@@H](C(=O)O)c1ccc(C#N)cc1 829287147 ZGTFTGQMARXXMH-HZPDHXFCSA-N 288.391 3.632 30 20 CHED COC1(c2noc(-c3ccc(C)c(C#N)c3)n2)CCCCC1 834811079 NHHONEAVHYAWAF-UHFFFAOYSA-N 297.358 3.723 30 20 CHED CCC[C@@H](C=NNc1nc2ccccc2s1)OC 834915017 WEWQKODGIAOFHG-JTQLQIEISA-N 263.366 3.509 30 20 CHED C[C@@H]1CC[C@@H](C)C(=NNc2cc(C#N)cc(Cl)n2)C1 834967488 HAWQGAUSDHCXIG-NXEZZACHSA-N 276.771 3.831 30 20 CHED CCc1ccc(N(CC2CC2)C(=O)c2c[nH]c(C#N)c2)cc1 836834695 BRSSHEMFTNGHHE-UHFFFAOYSA-N 293.370 3.506 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 837158042 ZFSYXVDHKSFJQS-SRVKXCTJSA-N 259.340 3.529 30 20 CHED CC(C)(C)C#CC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 837576837 WCRRULCMOKXNPS-SJORKVTESA-N 283.415 3.879 30 20 CHED Cc1cc(C)cc(COC(=O)[C@@]2(C#N)CC23CCCC3)c1 837905253 KCPIFKYDSJKEFU-SFHVURJKSA-N 283.371 3.821 30 20 CHED CCCCCC[C@H](C)CC(=O)NCC1(C#N)CCC1 841468647 IUVFPOLSRBWJSA-AWEZNQCLSA-N 264.413 3.793 30 20 CHED CC(C)c1nnc(CON=Cc2ccc(Cl)cc2)s1 842018241 ROWQCEQKGMWQIX-UHFFFAOYSA-N 295.795 3.866 30 20 CHED C=C(C)CONC(=O)N[C@H](CC)c1ccc(Cl)cc1 844284841 LTDWWIDXSBTNRI-CYBMUJFWSA-N 282.771 3.598 30 20 CHED CCC(=NNc1cccc(C(=O)O)c1C)[C@H]1C[C@H]1C 844624499 YJWMCUHBJSFVIP-SKDRFNHKSA-N 260.337 3.527 30 20 CHED C/C(=C\c1ccco1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 846828655 NWTUPCAZOLXZBI-XYOKQWHBSA-N 297.358 3.750 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)c2cccc(C3CC3)c2)C1 847082649 VWYUOELNWGTHCA-LRDDRELGSA-N 269.344 3.803 30 20 CHED CCCCCCCC[S@](=O)Cc1conc1C 849222987 FUOYJDJSSVHZLR-KRWDZBQOSA-N 257.399 3.592 30 20 CHED CCc1ccc(NC(=S)N2CCC[C@H](CC#N)C2)cc1 849271607 OIFODQZKLYXMQB-CQSZACIVSA-N 287.432 3.571 30 20 CHED N#Cc1ccc(OC(=O)C2(C(F)(F)F)CCCCC2)cc1 850743679 YZGPLUQYOAZGOS-UHFFFAOYSA-N 297.276 3.976 30 20 CHED C/C(=C\C(C)(C)C)C(=O)O[C@H](C)CC(C)(C)C#N 851205738 JKHLRDPITHBAAK-JATZPVMKSA-N 251.370 3.850 30 20 CHED C=C[C@@H](OC(=O)CSC(F)(F)F)c1ccccc1 851453673 TUAOIWAYYBFGKS-SNVBAGLBSA-N 276.279 3.710 30 20 CHED FC(F)CON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853333588 NPXWTXQQJLNWQZ-HTQZYQBOSA-N 259.218 3.623 30 20 CHED c1ccc2c(c1)CC1(CCOCC1)C2=NOCC1CCC1 853441026 NFAJOSPHZCQGGF-UHFFFAOYSA-N 285.387 3.560 30 20 CHED C#CCCCCC(=O)N[C@]1(c2ccccc2)CC1(C)C 856458608 WHTVLLVHLNJFRW-SFHVURJKSA-N 269.388 3.622 30 20 CHED Cc1cocc1C(=O)OCCC1(C#N)CCCCC1 859781376 HAFXIEAAUXXJGP-UHFFFAOYSA-N 261.321 3.609 30 20 CHED C#CCOc1ccc([C@@H](C)OC(=O)C(C#N)(CC)CC)cc1 860533553 UJQRFDZIODBVHF-CQSZACIVSA-N 299.370 3.633 30 20 CHED Cc1cnn(C)c1/C=C\C(=O)c1cccc(C(C)C)c1 863195501 BWORZROBTOEQMU-HJWRWDBZSA-N 268.360 3.748 30 20 CHED CCCCCCC[C@H](C)CNC(=O)N(C)Cc1ncc[nH]1 868082267 WLXQMMWIPQDTEF-AWEZNQCLSA-N 294.443 3.548 30 20 CHED CCC[C@H](CC)C(=O)Nc1ncccc1OCCCC#N 874298933 LPXFSKKXQOVAHG-ZDUSSCGKSA-N 289.379 3.529 30 20 CHED C[C@H](C#N)Oc1ccccc1NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 875537189 WFBANWJXSPLGKG-KHSSZTOVSA-N 298.386 3.742 30 20 CHED CCOc1ccc(NC[C@H](C)CCC#N)cc1F 876824115 LEPUQDSXPWXDDP-LLVKDONJSA-N 250.317 3.576 30 20 CHED C#CC[C@@H](CCOC)N[C@H](C)CCc1c[nH]c2ccccc12 877661093 XCBWTTIRLVSAHY-WBVHZDCISA-N 298.430 3.507 30 20 CHED CCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)CC1CCC1 878541886 HOZFACIMMPXFFJ-LJQANCHMSA-N 298.430 3.549 30 20 CHED N#CCC[C@@H](N[C@H]1CCc2cccnc21)c1ccccc1 886553663 SNPCKLNQMGIKRZ-SJORKVTESA-N 277.371 3.704 30 20 CHED Cc1cccc(N2CCC(c3ccc(C#N)cc3)CC2)n1 896864303 HGDOAZWYUXEATG-UHFFFAOYSA-N 277.371 3.646 30 20 CHED O=C(/C=C\c1ccc2oc(=O)oc2c1)C1CCCCC1 901446750 VHFWZVKQCPMZDL-VURMDHGXSA-N 272.300 3.549 30 20 CHED Cc1c(Cl)cnn1CCCCC1(C#N)CCC1 902722266 TZKLMARGWFFMNN-UHFFFAOYSA-N 251.761 3.709 30 20 CHED N#CC1(CCCCn2ccc(-c3ccccn3)n2)CCC1 902739618 RJRHRVKYNYKMSA-UHFFFAOYSA-N 280.375 3.809 30 20 CHED CC[C@@H](Nc1cccc(CCO)c1)c1cccc(C#N)c1 903013713 HOFJFLBRZIXANG-GOSISDBHSA-N 280.371 3.656 30 20 CHED Cc1cc(C)c2c(c1)[C@@H](NCC(C)(C)C#N)CCCO2 903099916 BVWJQUARYWCROT-HNNXBMFYSA-N 272.392 3.657 30 20 CHED C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccc(C#N)c(F)c1 903334590 CUTNNDPFLOAQDD-XIKOKIGWSA-N 295.361 3.894 30 20 CHED O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1ccc(F)cc1 915976618 VOTGQXBIIAORTK-UHFFFAOYSA-N 293.685 3.833 30 20 CHED CCCOc1cccc(C=NNc2ncccc2Cl)c1 917546045 FWLWNJJWTDCUNW-UHFFFAOYSA-N 289.766 3.970 30 20 CHED C=C(Cl)CN1CCC[C@@H]1Cc1ccc(F)cc1 917984155 MRMZZPSGPGHPGS-CQSZACIVSA-N 253.748 3.585 30 20 CHED C=C[C@H](CC)CC(=O)N[C@H](c1cccs1)C1CC1 929702959 MHFUFCXWLOJLEX-ABAIWWIYSA-N 263.406 3.918 30 20 CHED C=C[C@@H](CC)CC(=O)N[C@@H](c1ccccc1)c1ccccn1 929775115 UDXXEPWKHMURGW-KXBFYZLASA-N 294.398 3.890 30 20 CHED C#CCN(C(=O)Nc1ccc(C)cc1SC)C(C)C 931726894 RPNFWOKNJMQKFO-UHFFFAOYSA-N 276.405 3.592 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)[C@H]1CC1(F)F)c1cccs1 1123107774 UPBGBUFJFIOSQH-FXPVBKGRSA-N 285.315 3.537 30 20 CHED CC(C)CC(CC(C)C)NC(=O)c1ccc(C#N)cc1F 1125970723 QBTCXNSUJKZASQ-UHFFFAOYSA-N 290.382 3.888 30 20 CHED Cc1ccc(C#N)c(N[C@H]2CCC[C@H](C(C)C)C2)n1 1162461001 SARZYXAZBLDCJQ-ZFWWWQNUSA-N 257.381 3.888 30 20 CHED Cc1nc(C#N)cc(N[C@H](C)Cc2ccc(C(C)C)cc2)n1 1185819761 QRHIVAVQJOOHHA-CYBMUJFWSA-N 294.402 3.823 30 20 CHED CCCCCCCC(=O)NC[C@H](OC)c1ccc(F)cc1 1252700676 LIDGXDJEIGWFBD-INIZCTEOSA-N 295.398 3.990 30 20 CHED C[C@@H](c1cccc(C#N)c1)N(C)CC1Cc2ccccc2C1 1308829589 JTFXODBPQFYKEB-HNNXBMFYSA-N 290.410 3.966 30 20 CHED Cc1cc(CN2CC[C@@H](C)C[C@@H](C)C2)ccc1C#N 1308945230 YBDDSDZYYGBKRG-ZIAGYGMSSA-N 256.393 3.735 30 20 CHED CCc1oc2ccccc2c1C(=O)N(CCC#N)C(C)C 1319704972 BFEZQVIBWVBNTA-UHFFFAOYSA-N 284.359 3.759 30 20 CHED CC(C)(C#N)CCN1CCC[C@H](c2nc3ccccc3[nH]2)C1 1320082597 PPCJTOUCLLCPQF-AWEZNQCLSA-N 296.418 3.682 30 20 CHED Cc1ncc([C@H](C)Nc2ccc(OCC#N)cc2)s1 1323505866 PCWRCILBLKIUCQ-JTQLQIEISA-N 273.361 3.527 30 20 CHED C=CCCCC(=O)N(CCc1ccccc1)C(C)C 1323527969 ZHPNQFJTSHIIGZ-UHFFFAOYSA-N 259.393 3.822 30 20 CHED C=C(C)CN(Cc1ccccc1)Cc1cccnc1N(C)C 1324391280 RVBWEHXIVUISEU-UHFFFAOYSA-N 295.430 3.726 30 20 CHED CC[C@](C)(C#N)c1nnc(-c2cc3ccccc3o2)o1 1327362508 BQFKIENKXLACPD-OAHLLOKOSA-N 267.288 3.674 30 20 CHED N#Cc1ccc(-c2nnc([C@@H]3CCCC(F)(F)C3)o2)cc1 1327936460 YHFYMLKUNIEABT-GFCCVEGCSA-N 289.285 3.901 30 20 CHED Cc1n[nH]c(C)c1C=NN[C@H](C)c1ccc(C(C)C)cc1 1334668752 YXAYRWXFOXVDBC-GFCCVEGCSA-N 284.407 3.835 30 20 CHED N#CCCCNC(=O)c1ccc(-c2cccs2)s1 1337636431 OEJSOTBSDWPVCP-UHFFFAOYSA-N 276.386 3.510 30 20 CHED C=CC1CCN(c2nnc([C@@H]3CC=CCC3)n2CC)CC1 1340127319 MBPPWQLFJCRKNK-OAHLLOKOSA-N 286.423 3.524 30 20 CHED C=C[C@@H](COC)N[C@@H](C)CC(C)(C)c1ccccc1 1342744305 JSSYVGKDJZVRHR-HOCLYGCPSA-N 261.409 3.533 30 20 CHED Cc1cc(C(=O)O[C@@H](CC#N)c2ccco2)cc(C)c1F 1344937006 OKCGUOZHQMFAGW-AWEZNQCLSA-N 287.290 3.847 30 20 CHED C#CC[C@H](NC(=O)N1CC[C@@H]1C(C)(C)C)c1ccccc1 1345780148 TYAWEZFNOGJBPZ-JKSUJKDBSA-N 284.403 3.581 30 20 CHED C=C(CC)C(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 1348175340 WUUWBYSFPBLNDZ-OAHLLOKOSA-N 261.340 3.668 30 20 CHED C=CCC[C@H]1CCCN1c1nnc(C2CC2)n1CC1CC1 1350518409 NKWDINSHSDKFCC-HNNXBMFYSA-N 286.423 3.501 30 20 CHED C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 1359141550 KLWDCRNEORERIY-WCQYABFASA-N 296.846 3.779 30 20 CHED N#Cc1cnccc1Sc1ccc(Cl)c(F)c1 1458473739 SANMUIYYDALIIK-UHFFFAOYSA-N 264.712 3.897 30 20 CHED N#Cc1ccc(CNc2ccccc2OCCF)cc1 1474156123 UXKOTSXSCIJLMN-UHFFFAOYSA-N 270.307 3.519 30 20 CHED N#CCC1(OC(=O)C2[C@H]3CCCCCC[C@H]23)CCC1 1518403748 IOECCTNLPOPYOY-STQMWFEESA-N 261.365 3.582 30 20 CHED Cc1cc(C#N)cc(NC(=O)C[C@@H]2CCCCC2(C)C)n1 1523624960 MZGAQZWNBQGJJC-AWEZNQCLSA-N 285.391 3.807 30 20 CHED CCN(C(=O)c1csc(C#N)c1)c1cccc(Cl)c1 1524725062 RDYDXJHKCNUMBB-UHFFFAOYSA-N 290.775 3.940 30 20 CHED CC(CCc1c[nH]c2ccccc12)=NN[C@H](C)C(F)F 1552762467 HCSRKAMABZUCJM-LLVKDONJSA-N 279.334 3.720 30 20 CHED Cc1cc(NC(=O)c2cccc(C#N)n2)c2ccccc2c1 1587745331 ZECTUOFKIWDWSX-UHFFFAOYSA-N 287.322 3.667 30 20 CHED CC(C)(C#N)CNc1c(Cl)cc(Cl)cc1C(=O)O 1603230062 CAFSKTVSXOHYIA-UHFFFAOYSA-N 287.146 3.653 30 20 CHED N#Cc1cccc2c1CCN2Cc1ccc(CF)cc1 1618686028 WIWCMWHBXBADSZ-UHFFFAOYSA-N 266.319 3.590 30 20 CHED C[C@H]1CC(C)(C)C[C@@H]1NCCc1ccc(C#N)cc1 1621004395 WITYHCWFJTUKNN-BBRMVZONSA-N 256.393 3.515 30 20 CHED C[C@@H](NCc1cc(O)cc(Cl)c1)c1cccc(C#N)c1 1663268913 ITSJPEQCQFZFQR-LLVKDONJSA-N 286.762 3.768 30 20 CHED CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(F)cc(C#N)c1 1672407215 UPRGYKBPHZBKDY-DOMZBBRYSA-N 289.354 3.788 30 20 CHED Cc1c(NN=C/C=C/c2ccccc2)cccc1C(=O)O 1776090244 ZOCAPRZZSIBRBI-ODGAGTQYSA-N 280.327 3.804 30 20 CHED C=CC[C@@]1(C(=O)O)CCCN(c2ncc(C(C)C)s2)C1 1776157861 YVYFUJHGHISGDQ-OAHLLOKOSA-N 294.420 3.514 30 20 CHED O=C(O)Cc1cccc(/C=C2/CCc3ccccc3C2=O)c1 1777651038 HGUBIQDCFOFPIE-WJDWOHSUSA-N 292.334 3.526 30 20 CHED CCCC(CCC)=NNC(=S)NCc1ccccc1 7013358 ZNMQHTAPBWMWJP-UHFFFAOYSA-N 277.437 3.607 30 20 CHED C=C(C)CSc1nc(COc2ccc(Cl)cc2)n[nH]1 21261971 CDACYCJTACGSMI-UHFFFAOYSA-N 295.795 3.705 30 20 CHED CC(C)[C@H](Nc1ccc(C#N)cn1)c1ccccc1 24102900 BEQVCJQSHVQWHZ-INIZCTEOSA-N 251.333 3.762 30 20 CHED C[C@@H](CC(=O)NC1(C#N)CCCCC1)CC(C)(C)C 40215364 IMBQXVMITRFMEV-ZDUSSCGKSA-N 264.413 3.791 30 20 CHED C=C(C)CN(CC)C(=O)C1(c2cccc(Cl)c2)CC1 44614067 HENKTYDJLCMAAU-UHFFFAOYSA-N 277.795 3.796 30 20 CHED N#C[C@H](C(=O)c1ccsc1)c1ccc2ccccc2n1 47375760 UVQNQNYKYMTSRJ-ZDUSSCGKSA-N 278.336 3.786 30 20 CHED C=C(C)CSc1nccn1-c1ccc(OC)cc1 48398070 JRSFBHRDROJMOM-UHFFFAOYSA-N 260.362 3.549 30 20 CHED Cc1ccccc1[C@H]1CCCN1c1ccc(C#N)cn1 48566537 OQVUTFWVRPXDJE-MRXNPFEDSA-N 263.344 3.603 30 20 CHED C=CCOc1ccccc1C(=O)NCc1ccc(C)s1 48600003 BZEHPPMYTULDQK-UHFFFAOYSA-N 287.384 3.551 30 20 CHED Cc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1 48624962 MJTFOZNEUKZOHE-XBXARRHUSA-N 264.324 3.826 30 20 CHED CC(C)[C@@H](CNC(=O)c1sccc1C#N)c1ccccc1 52030760 YHFRKPXTHSHSDR-OAHLLOKOSA-N 298.411 3.789 30 20 CHED Cc1ccc(F)c(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 53003420 IVCMBTAKACISAI-UHFFFAOYSA-N 288.709 3.912 30 20 CHED C=CCN(Cc1ccc(OC)cc1)Cc1ccccc1C#N 54272054 JWOUKWXBXGBLFG-UHFFFAOYSA-N 292.382 3.755 30 20 CHED CCCCOCCN(CCC)Cc1ccc(C#N)cc1 56284574 MKWHPSKQHHBFBB-UHFFFAOYSA-N 274.408 3.587 30 20 CHED C=CCSc1nc(C)nc2sc(C)c(C)c12 58849391 HTRDFWOCJIBZEE-UHFFFAOYSA-N 250.392 3.895 30 20 CHED C=CCN(CC=C)C(=O)c1cc(C)n(Cc2ccco2)c1C 60866721 PXRMCZKCXYLCBT-UHFFFAOYSA-N 298.386 3.560 30 20 CHED CCc1cccc(C)c1NC(=O)Cc1ccc(C#N)cc1 70158492 FEXNRFXZVIYGTD-UHFFFAOYSA-N 278.355 3.610 30 20 CHED COc1cc(C#N)ccc1OC(=O)[C@@H](C)CC1CCCC1 74398842 OATWHMAAMVJRTA-LBPRGKRZSA-N 287.359 3.689 30 20 CHED CCc1ccc(CC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 75276263 XJLYSCKBZKATQI-CQSZACIVSA-N 292.382 3.541 30 20 CHED COc1cccc2cc(C(=O)Nc3cccc(C#N)c3)oc12 78670420 ODWWEGLKQTWPCH-UHFFFAOYSA-N 292.294 3.565 30 20 CHED C=CCOCCCC(=O)Nc1ccccc1C(C)C 79447738 DHUJAJJUVVUVRO-UHFFFAOYSA-N 261.365 3.731 30 20 CHED CCCCCC[C@](C)(CCC)C(=O)N1CCO[C@H](C#N)C1 80080951 YKHNNYSUDWTJJU-WBVHZDCISA-N 294.439 3.514 30 20 CHED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccccn1 90665161 SIVYTLHAERNJOD-WMLDXEAASA-N 265.360 3.777 30 20 CHED N#Cc1cccc(OC2CCN(C[C@H]3CC=CCC3)CC2)c1 92034231 ZTMQNGWVEFKDCZ-INIZCTEOSA-N 296.414 3.758 30 20 CHED CCO[C@H]1C[C@H](N(C)CC(C)(C)CCC#N)C12CCC2 92041188 XTQKBQTUKKBGCC-GJZGRUSLSA-N 278.440 3.596 30 20 CHED CCCN(CC#N)Cc1cc(C(F)(F)F)ccc1F 92398376 XWPGCGBZSIDUHI-UHFFFAOYSA-N 274.261 3.580 30 20 CHED C[C@@H](CC#N)N(C)Cc1nc(-c2ccccc2)cs1 93090748 NSFXDEZXMMAQGL-LBPRGKRZSA-N 271.389 3.544 30 20 CHED CSc1cccc(N(C)C(=O)C2(C#N)CCCCC2)c1 101831895 SQWGFUZNLXPGRE-UHFFFAOYSA-N 288.416 3.845 30 20 CHED C=CCCC(=O)Nc1ccccc1OC[C@H]1CCCCO1 102240057 COLLPDYEOYRAMX-CQSZACIVSA-N 289.375 3.539 30 20 CHED C=CCCC(=O)OCc1cccc(OCC(F)(F)F)c1 102506220 HUDYZVFNCUFYFG-UHFFFAOYSA-N 288.265 3.637 30 20 CHED C[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccc(C#N)cc1 102903971 XIKSTZYVWZNZON-GUYCJALGSA-N 297.402 3.593 30 20 CHED C#Cc1cccc(N(C)C(=O)C[C@H](C)c2ccccc2)c1 103033854 HLMUIXUCMOLYTA-HNNXBMFYSA-N 277.367 3.825 30 20 CHED C=CC1CCN(C(=O)/C=C(/C)c2ccccc2)CC1 110366520 WJSKIYVNGIAGNY-YPKPFQOOSA-N 255.361 3.515 30 20 CHED Cc1ccc(CNc2ccc(CC#N)cc2)cc1F 110975842 QVHPFQNVOJZVID-UHFFFAOYSA-N 254.308 3.812 30 20 CHED C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(OCC)cc1 121359693 XJLPMUROTAJDRU-AEFFLSMTSA-N 289.419 3.549 30 20 CHED Cc1cc([C@@H](C)Nc2cc(C#N)ccc2[N+](=O)[O-])c(C)o1 124778435 WZHPCQGMLYLZHL-SNVBAGLBSA-N 285.303 3.849 30 20 CHED CCn1cc(/C=C2/COc3c(cccc3C(C)C)C2=O)cn1 125405968 UOGCSZLSQWNGGB-ZSOIEALJSA-N 296.370 3.685 30 20 CHED N#Cc1ccc([C@@H](O)CN(CC2CCCCC2)C2CC2)cc1 127187566 UXNKNBLVTMAKOM-IBGZPJMESA-N 298.430 3.636 30 20 CHED Cc1ccc(NCc2ccc(C#N)o2)cc1OCC(F)F 128670262 NMGQWAUQPYHOMZ-UHFFFAOYSA-N 292.285 3.716 30 20 CHED C[C@H](NCc1cccc(C#N)c1)c1nc2c(s1)CCCC2 130199330 SHUHFMXJXWONLJ-LBPRGKRZSA-N 297.427 3.744 30 20 CHED C=CCC[C@@H](C)NCc1ccccc1OC(F)F 130534433 HQRKKXIRSNHMCN-LLVKDONJSA-N 255.308 3.732 30 20 CHED COc1cc(C)cc(C/N=C(/N)Nc2cc(C)cc(C)c2)c1 130647117 ZQQVVTPSJXFIQN-UHFFFAOYSA-N 297.402 3.547 30 20 CHED CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cnn(C)c1)CC2 130839987 ODFAFKWZJZTZSX-PXNMLYILSA-N 280.371 3.756 30 20 CHED CC(C)(C#N)CCCO/N=C1/CCOc2ccccc21 135487359 REBIQKSNSCDFAF-JXAWBTAJSA-N 272.348 3.520 30 20 CHED CC(C)C[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 152132448 OXERYFJSFCBBFV-OAHLLOKOSA-N 276.424 3.745 30 20 CHED Cc1ccccc1CC(=O)N[C@@H](CCC#N)c1ccccc1 153664997 UXDPTDUWNFPYNM-SFHVURJKSA-N 292.382 3.699 30 20 CHED CN(Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 153787231 TZGZKPSVNJSMDQ-UHFFFAOYSA-N 292.382 3.731 30 20 CHED C=CCC[C@@H](CCC)NC[C@H](c1ccco1)N(C)C 154146781 DFMNGQGOLSFPOZ-HUUCEWRRSA-N 264.413 3.607 30 20 CHED C#CCCCCNC(=O)c1cc2cc(C)c(C)cc2o1 156059358 PJXBHAMWPGLUIW-UHFFFAOYSA-N 269.344 3.583 30 20 CHED Cc1cccc([C@@H](C)NCc2cccc(OCC#N)c2)c1 157175419 JLPFCSGYZAJIHV-OAHLLOKOSA-N 280.371 3.748 30 20 CHED C=CCN(C)C(=O)Nc1ccc2c(ccn2CCC)c1 157332513 BOAZQPULKSNRAP-UHFFFAOYSA-N 271.364 3.701 30 20 CHED CCN(Cc1ccccc1)Cc1cc(F)ccc1C#N 157769627 PZXBNDWMIAJLSJ-UHFFFAOYSA-N 268.335 3.719 30 20 CHED C=C(Br)CN[C@@H](CC)c1cc(F)ccc1F 167348452 RVHSNLAUWHTFBD-LBPRGKRZSA-N 290.151 3.914 30 20 CHED CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCCCCC#N 171420739 RQQCPBKHBNKORC-KBPBESRZSA-N 279.428 3.584 30 20 CHED C=CCCC(=O)N(C)[C@@H](C)c1ccccc1Br 171430126 ROJROVPIIJFLSX-NSHDSACASA-N 296.208 3.935 30 20 CHED CC(C)c1ccc(CCC(=O)NCCCCC#N)cc1 171501186 KHJKFSWNAFBYQV-UHFFFAOYSA-N 272.392 3.553 30 20 CHED CC(C)Oc1ccc([C@H](C)NC[C@H](C#N)CCC#N)cc1 171977918 WVRUYGWXZGFFTC-GJZGRUSLSA-N 285.391 3.568 30 20 CHED C=CCOc1ccc(OC(=O)c2ccc(Cl)nc2)cc1 173526606 OSIADZJDQBDNRE-UHFFFAOYSA-N 289.718 3.519 30 20 CHED C=CCOc1cccc(NC(=O)N2CCC(C)(C)C2)c1 175591039 RVBQPSPOEVAFHI-UHFFFAOYSA-N 274.364 3.515 30 20 CHED CC[C@@H]1CCN(c2c(C#N)cnc3c(F)cc(F)cc23)C1 176506291 CYCNAJPPWKTRDK-SNVBAGLBSA-N 287.313 3.621 30 20 CHED N#C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C1CCCCC1 176627366 VPJROAODJBDVJD-INIZCTEOSA-N 299.349 3.509 30 20 CHED C=CCNc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 176997489 RKDMNWIUPSBDEJ-GFCCVEGCSA-N 276.380 3.870 30 20 CHED N#Cc1ccccc1-c1ccc(CSc2cnn[nH]2)cc1 177379319 MBZIEJTYMFAWRR-UHFFFAOYSA-N 292.367 3.636 30 20 CHED CCCCCCC[S@](=O)Cc1nc(C)c(C)s1 178060062 ATGVMBPOOCHIMJ-KRWDZBQOSA-N 273.467 3.979 30 20 CHED N#CCCCCN[C@H]1CCCOc2c(Cl)cccc21 178642559 VHXZIWMNVQFOJF-AWEZNQCLSA-N 278.783 3.837 30 20 CHED C#CCCCCC(=O)N[C@H]1CCSc2ccc(F)cc21 179667890 LDNMMLQBSLIDLV-AWEZNQCLSA-N 291.391 3.672 30 20 CHED Cn1cc(CSc2ccc(C#N)c(C(F)(F)F)c2)cn1 181048403 HPPFWMRXAHOMKP-UHFFFAOYSA-N 297.305 3.603 30 20 CHED C[C@H](NCCCCN1CCCC[C@@H]1C)c1cccc(C#N)c1 181511322 DWPYRIXZAYGNAV-IRXDYDNUSA-N 299.462 3.863 30 20 CHED C=CCCC[C@H](C)N[C@@H](C)c1nc2ccccc2n1C 182184543 ANCSWMWXSAECAU-KBPBESRZSA-N 271.408 3.969 30 20 CHED C=C(C)CN1CCC(N[C@H](C)c2cccc(F)c2F)CC1 183260429 DPWXANBOAUOCSI-CYBMUJFWSA-N 294.389 3.656 30 20 CHED C=CCC[C@H](C)NC[C@@H](c1ccco1)N1CCCCC1 184857194 FTZGQSFMNLSYIN-HOTGVXAUSA-N 276.424 3.751 30 20 CHED C=C(C)CN(C)C(=O)C1(Cc2cccc(F)c2)CCC1 186931009 FASQBKQKBMJRCW-UHFFFAOYSA-N 275.367 3.573 30 20 CHED N#CCN(C(=O)c1csc(Cl)c1)c1ccccc1 187866929 XPMXRUYLFOSEEF-UHFFFAOYSA-N 276.748 3.572 30 20 CHED C=C[C@@](C)(CC)C(=O)NC[C@H](C)Cc1cccs1 188452733 GXRCZVQOGNCLOJ-DOMZBBRYSA-N 265.422 3.645 30 20 CHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)cc1O 189033387 CZWGTTOKGJYWKO-ZDUSSCGKSA-N 253.729 3.586 30 20 CHED C=C[C@](C)(CC)C(=O)Nc1cnc(-c2ccccc2)nc1 190396033 DFNFNXWOXMYPOT-QGZVFWFLSA-N 281.359 3.684 30 20 CHED C=C[C@@H](CC(=O)N1CCS[C@@H](C)CC1)c1ccccc1 191390876 PCCNCFOUILBFDK-GJZGRUSLSA-N 289.444 3.700 30 20 CHED C[C@H]1CCCN(Cc2cc(C#N)ccc2Br)C1 191773566 GMUQALOUKCFSKS-NSHDSACASA-N 293.208 3.553 30 20 CHED C=CCC1(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CCC1 191863338 YBYRHECJFRAHHS-UHFFFAOYSA-N 296.273 3.558 30 20 CHED COc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1Cl 193846381 WVDCWLDGXGRYOY-WDEREUQCSA-N 264.756 3.843 30 20 CHED N#CCCCOC(=O)c1cc2cc(F)ccc2s1 194480845 HKGWFOMXBYWHAS-UHFFFAOYSA-N 263.293 3.501 30 20 CHED C=CCOC(=O)[C@@H](C)Sc1nc2ccccc2s1 196373207 ZRYHJOHSLNGDRY-SECBINFHSA-N 279.386 3.506 30 20 CHED C[C@H](c1cccs1)N(C)Cc1cccc(C#N)c1F 219516696 OFLUZSJZVHSRMO-LLVKDONJSA-N 274.364 3.952 30 20 CHED N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCO[C@@H]1C1CC1 230308276 KVCDBBZWUCITIR-ZIAGYGMSSA-N 296.292 3.556 30 20 CHED CSCCCCCCNc1snc(C)c1C#N 235048238 BOIJIBDDMNUSIE-UHFFFAOYSA-N 269.439 3.659 30 20 CHED C[C@@H]1CN(Cc2cccc(C#N)c2)[C@H]1c1ccccc1 245421821 IEJKMOPIRGPCNR-RDTXWAMCSA-N 262.356 3.751 30 20 CHED Cc1ccc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)s1 255510390 ZPTBGDZIZHCJSS-FPLPWBNLSA-N 288.416 3.984 30 20 CHED CC[C@H](CC(=O)N[C@@H](C#N)C(C)C)c1ccc(C)cc1 265602933 AHRWPFHMOOYUGW-ZBFHGGJFSA-N 272.392 3.543 30 20 CHED CC(C)(CCC#N)CN[C@H]1C[C@@H]1Cc1ccccc1 266175997 SXTOVGLOVAMEEN-HOTGVXAUSA-N 256.393 3.537 30 20 CHED C[C@H](C(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)c(Cl)c1 266898192 CQWNESFYHPWVAY-UWVGGRQHSA-N 299.201 3.715 30 20 CHED C[C@H]1COc2ccccc2CN1CCCC(C)(C)C#N 272885311 CYMPWHALQNYYAI-AWEZNQCLSA-N 272.392 3.599 30 20 CHED C=CC[C@H](C(=O)N(CC)Cc1ccncc1)c1ccccc1 275293118 LSPQRLLOKZYMJR-SFHVURJKSA-N 294.398 3.790 30 20 CHED CCc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1 276181968 GZJKCMZMYVUHHH-UHFFFAOYSA-N 276.383 3.900 30 20 CHED N#C[C@@H]1CC[C@@H](N[C@@H](c2ccc(F)cc2)C2CCC2)C1 278642890 PDOCARYXORGKHP-CSMYWGQOSA-N 272.367 3.949 30 20 CHED CCC[C@@H](NCc1ccc(C#N)cc1)[C@H](O)c1ccccc1 279607240 FFIHQKKEUUKQAV-RTBURBONSA-N 294.398 3.550 30 20 CHED CSc1ccc(CCNCc2ccc(C#N)s2)cc1 280669016 PRTSJOFQEOQBIR-UHFFFAOYSA-N 288.441 3.674 30 20 CHED CCCC[C@H](C)C(=O)Nc1ncccc1OCCCC#N 282328443 YWLJAMMQHSOOHN-ZDUSSCGKSA-N 289.379 3.529 30 20 CHED COc1ccc(C#N)cc1NC(=O)c1occc1C(C)C 284545456 DSYLSVLRSUKXNN-UHFFFAOYSA-N 284.315 3.536 30 20 CHED CC[C@@](C)(C#N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 285639486 XQFHEJBFZGPWSX-KRWDZBQOSA-N 288.366 3.504 30 20 CHED C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2CCOC)cc1 287447895 LHICKPDJEQNJBU-SJLPKXTDSA-N 289.419 3.546 30 20 CHED CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H](C3CC3)C2)cc1 290926172 OMNXQSRIXNUOHM-INIZCTEOSA-N 296.414 3.750 30 20 CHED C=C(C)Cn1c(C)nnc1N1CCC[C@H]1c1ccccc1 291081964 ROVCWUIQQJQZAR-INIZCTEOSA-N 282.391 3.504 30 20 CHED CCOC1(C)CCN(c2c(C#N)cnc3ccccc23)CC1 291889246 OZJZQMNYGAEBEB-UHFFFAOYSA-N 295.386 3.502 30 20 CHED C=CCC(C)(C)CNC(=O)Nc1cscc1C 292719887 PEEZPXVSXBMCAB-UHFFFAOYSA-N 252.383 3.780 30 20 CHED COCC1(CCN[C@H](C)c2ccc(C#N)c(F)c2)CCC1 293626487 GEGHHZDIOHYKRD-CYBMUJFWSA-N 290.382 3.555 30 20 CHED CCCCCCCC(=O)N(C)Cc1conc1CC 294219022 UFRNEYNBOCKGJV-UHFFFAOYSA-N 266.385 3.556 30 20 CHED C[C@@H](CCC#N)N1CC=C(c2ccc(F)cc2)CC1 297811259 IMMBUYLQGGBEDO-ZDUSSCGKSA-N 258.340 3.607 30 20 CHED C[C@@H](Sc1ccc(C#N)cn1)c1ccccc1F 301106776 RNNQHRGHLHJPNY-SNVBAGLBSA-N 258.321 3.946 30 20 CHED CC[C@H](Nc1cccc(C#N)n1)c1ccc(C)cc1 301344841 HMJWXNGDEXJQSG-HNNXBMFYSA-N 251.333 3.825 30 20 CHED N#Cc1cccc(Cl)c1N1CC[C@H](Nc2ccccc2)C1 301420381 SBXOAHZIKOMUHA-HNNXBMFYSA-N 297.789 3.902 30 20 CHED C[C@@H](Cc1cccs1)N(C)c1ccc(Cl)c(C#N)n1 301571297 KXLOCDSDZCKGIE-JTQLQIEISA-N 291.807 3.736 30 20 CHED CC[C@H](Nc1ccc(C#N)cc1F)c1c(C)noc1C 301816625 HHPYEBRBUVLBBT-ZDUSSCGKSA-N 273.311 3.865 30 20 CHED N#Cc1ccc2nc(NC(C3CC3)C3CC3)ccc2c1 301837531 YDSQVLNQUUIRRR-UHFFFAOYSA-N 263.344 3.707 30 20 CHED Cc1ccc(C#N)c(NCc2c(C)oc3ccccc23)n1 302218800 LGUWOVFMUFJMGH-UHFFFAOYSA-N 277.327 3.928 30 20 CHED Cc1cccc(C)c1[C@H](C)Nc1ncccc1C#N 302240568 XKWPQWBMVZUFLZ-ZDUSSCGKSA-N 251.333 3.743 30 20 CHED N#Cc1cccc(C#N)c1NCCSc1ccccc1 302867017 ZBUJOXRDQHVKOI-UHFFFAOYSA-N 279.368 3.634 30 20 CHED N#Cc1cc(Cl)cc(OCc2ccc(C(=O)O)s2)c1 311562137 YIVIBIZMXYYTRJ-UHFFFAOYSA-N 293.731 3.550 30 20 CHED C=C(CC)CNCc1ccc(CSC(F)F)o1 313477410 CVDIBBUIUBMTDZ-UHFFFAOYSA-N 261.337 3.791 30 20 CHED C[C@H]1Cc2ncn(Cc3ccc(C#N)cc3Cl)c2C[C@@H]1C 315352886 DAJMYBNRASPBGS-RYUDHWBXSA-N 299.805 3.827 30 20 CHED C[C@@H](NCc1ccc2cnccc2c1)c1ccc(C#N)cc1 319154878 XEPUQRBBZKGAKY-CQSZACIVSA-N 287.366 3.957 30 20 CHED OC(=Nc1ccc2c(c1)CCCO2)c1noc2c1CCCC2 328656124 NMBCDIMFDLLBPQ-UHFFFAOYSA-N 298.342 3.515 30 20 CHED CC1(C/N=C(/O)Nc2scnc2C2CC2)CCC1 328925106 OARZYRINIPVXKS-UHFFFAOYSA-N 265.382 3.537 30 20 CHED O/C(CCc1nccs1)=N/[C@@H]1CCCc2occc21 328958304 JRTAHOUJFIXKSB-LLVKDONJSA-N 276.361 3.703 30 20 CHED CCCn1ncc(C(O)=Nc2cnc(C)s2)c1C1CC1 329022448 IIKHZQRMFVJVMW-UHFFFAOYSA-N 290.392 3.572 30 20 CHED Cc1coc(C)c1/C(O)=N/C[C@@](C)(O)C1CCCCC1 330623493 PRHHRUXMAZSWPY-MRXNPFEDSA-N 279.380 3.532 30 20 CHED CC[C@H]1CCCN(C(O)=Nc2cnn([C@@H](C)CC)c2C)C1 331164216 XVRBMNQEZFKAGP-JSGCOSHPSA-N 292.427 3.830 30 20 CHED CC(C)c1ccc(/C(O)=N/[C@H]2CCOC(C)(C)C2)c(O)c1 331227780 DSHQHAWBHXQGSM-ZDUSSCGKSA-N 291.391 3.778 30 20 CHED Cc1c(/C(O)=N/[C@@]2(C)CC=CCC2)cccc1[N+](=O)[O-] 331356667 SFLAJGKOXBWZGP-HNNXBMFYSA-N 274.320 3.707 30 20 CHED C[C@@H](CC(C)(C)O)/N=C(/O)c1coc(C2CCCCC2)n1 331360267 XPFLLXZIERMSRH-NSHDSACASA-N 294.395 3.576 30 20 CHED CC(C)[C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 331545925 YFHZHKBRICYXNG-XHSDSOJGSA-N 291.439 3.536 30 20 CHED C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)c2ccccc21 331761098 GMCFQTSOKMFIMZ-GFOFROLCSA-N 297.402 3.616 30 20 CHED N#Cc1nnc2ccccc2c1N1CC[C@H](C2CCCC2)C1 333494903 DSRQWQZNSOFKRD-AWEZNQCLSA-N 292.386 3.518 30 20 CHED N#CCc1cc(Cl)ccc1NC(=O)C1[C@H]2CCCC[C@H]12 335192161 KWUJDPKKPYNFEI-STQMWFEESA-N 288.778 3.781 30 20 CHED N#CCCN(Cc1ccco1)C[C@H]1CCCC(F)(F)C1 338313505 KQMXLXKOSPNJNR-ZDUSSCGKSA-N 282.334 3.821 30 20 CHED C=CCCC1(C(=O)Nc2sc(CC)nc2C)CC1 341658116 HGHCSVUCHPJUCS-UHFFFAOYSA-N 264.394 3.699 30 20 CHED C=CCCN(C)Cc1ccccc1Oc1cccnc1 342732850 DRTYEMPLSUNGQB-UHFFFAOYSA-N 268.360 3.882 30 20 CHED Cc1ccnc(NCCc2ccccc2Cl)c1C#N 343431327 FOFAGMGVPIEWKN-UHFFFAOYSA-N 271.751 3.570 30 20 CHED C=C(CN[C@@H]1C[C@@H](OCC)C12CCC2)c1ccccc1 344050005 JOYPVXVFDVZSSE-IAGOWNOFSA-N 271.404 3.637 30 20 CHED CCC[C@H](NC(=O)[C@H](C)C#N)c1cccc(C(F)(F)F)c1 345754191 CVMSPLMCAIGICI-MFKMUULPSA-N 298.308 3.822 30 20 CHED N#Cc1ccccc1CN1CC[C@@H](c2c(F)cccc2F)C1 346084589 SSSJUENTLRRKEG-OAHLLOKOSA-N 298.336 3.826 30 20 CHED C=C(C)[C@@H]1OCC[C@@H]1c1nc([C@H]2CCC[C@H](C)C2)no1 346254617 PBLMOBGVQLQGAH-XUXIUFHCSA-N 276.380 3.812 30 20 CHED CCc1cccnc1C(=O)Nc1sc(C)c(CC)c1C#N 346699608 GCXMVABQUXEDRK-UHFFFAOYSA-N 299.399 3.700 30 20 CHED CCN(Cc1cccc(F)c1)Cc1ccc(C#N)cc1OC 347300087 HDWAHTGLCPXXSS-UHFFFAOYSA-N 298.361 3.728 30 20 CHED CC(=O)c1ccc(C#N)c(N[C@@H]2CC23CCCCC3)c1 347417776 UOBQEHDPUWLBMF-MRXNPFEDSA-N 268.360 3.896 30 20 CHED C=CC[C@H]1N(C(=O)c2c[nH]cc2C)CCCC1(C)C 347429922 LWICVJLNGXLXNQ-CQSZACIVSA-N 260.381 3.530 30 20 CHED C=CCN(Cc1ccc(CC)nc1)Cc1cccc(C#N)c1 347859252 UUPHGNWPJBCZKS-UHFFFAOYSA-N 291.398 3.704 30 20 CHED C[C@H](Cc1ccccc1F)NCC(C)(C)CCC#N 348232317 RZSVENHWRBUJCF-CYBMUJFWSA-N 262.372 3.676 30 20 CHED N#Cc1csc(CNc2cc(C3CC3)ccn2)c1 353084443 SXIMQPSMFIGITJ-UHFFFAOYSA-N 255.346 3.504 30 20 CHED C=CCC1(C(=O)Nc2ccc3c(C)n(C)nc3c2)CCC1 355256165 QWUIUWYNKXPVDS-UHFFFAOYSA-N 283.375 3.567 30 20 CHED C=CCCC1(C(=O)N2CCC(c3ccc(C)nc3)CC2)CC1 356734411 VGOWPNXHHDOFCU-UHFFFAOYSA-N 298.430 3.842 30 20 CHED C=C(CC)CSCCC(=O)Nc1ccc(OC)cc1 358640617 WITDSWHMZIUKQJ-UHFFFAOYSA-N 279.405 3.723 30 20 CHED C=CCC1(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CCC1 358768724 JKTNPJZXOUCYOX-FZMZJTMJSA-N 291.341 3.683 30 20 CHED CN1CCCN(Cc2ccc(C#N)c(F)c2)c2ccccc21 361863199 UMEKXWJIFWRAHM-UHFFFAOYSA-N 295.361 3.544 30 20 CHED C=CCCCC(=O)Nc1sc(CCC)nc1C 362526878 WFXLJMXVSFOZDI-UHFFFAOYSA-N 252.383 3.699 30 20 CHED C=C[C@@H](C)NC(=O)Nc1cccc(-c2nccs2)c1 362616172 WLKBDNCRZQUEIV-SNVBAGLBSA-N 273.361 3.506 30 20 CHED C=C(C)CN[C@@H](c1cccc(Cl)c1)c1ccccn1 365277904 KAXYBUCDLRVADE-INIZCTEOSA-N 272.779 3.990 30 20 CHED N#CCCCCN1CCC[C@@H]1c1ccc(F)c(F)c1 369233143 YKYZCVOJTJRYCS-OAHLLOKOSA-N 264.319 3.796 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](c3ccco3)C2)cc1 371332934 RZGHQGMBNFRHJJ-GOEBONIOSA-N 296.370 3.560 30 20 CHED CCCCCCCCC(=O)NC1(C2CC2)CCOCC1 377246985 XUPBEBIPXBJOGU-UHFFFAOYSA-N 281.440 3.812 30 20 CHED CC(C)(C#N)CCCCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 377784838 PXFASWWIHNJGCP-JKSUJKDBSA-N 290.451 3.740 30 20 CHED C=CC(C)(C)CN[C@@H](c1ccccc1)c1ccccn1 384855755 MUKGGWBQUORTIE-KRWDZBQOSA-N 266.388 3.973 30 20 CHED CN(CCNc1cccc(Cl)c1C#N)Cc1ccccc1 386773357 KUABHUZIMUUXSW-UHFFFAOYSA-N 299.805 3.756 30 20 CHED C=CCCC[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc12 398107034 AGOFVIYWSBZMRG-SECBINFHSA-N 292.364 3.756 30 20 CHED C=CCCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C)c1F 398153433 SYWCTRDFPJETPC-NSHDSACASA-N 294.326 3.517 30 20 CHED N#CC1(CSc2nnc(C3CC3)n2C2CC2)CCCC1 405162159 PTCNJAYVBTYUPX-UHFFFAOYSA-N 288.420 3.666 30 20 CHED CCCC[C@@H](C)C(=O)Nc1nc2cc(C#N)ccc2n1CC 409996140 DMLNUNDGUZMDHL-GFCCVEGCSA-N 298.390 3.693 30 20 CHED C[C@@H]1Cc2ccccc2N(C(=O)[C@@]2(C#N)CC23CCCC3)C1 410439338 JTYIVPBAOLQWLH-KUHUBIRLSA-N 294.398 3.686 30 20 CHED C=CCC1(C(=O)N(C)c2ccc(C)cn2)CCCCC1 410867744 BMKGBYYNGAUOTE-UHFFFAOYSA-N 272.392 3.879 30 20 CHED C=CC[C@@H](Cc1ccccc1)NC(=O)C1(CCC)CC1 413989996 RNGULYPXPOHKCW-INIZCTEOSA-N 271.404 3.870 30 20 CHED C[C@H](NCC(C)(C)CC#N)c1ccc(Cl)s1 414160144 CPVXJEGWUZGFIO-VIFPVBQESA-N 256.802 3.992 30 20 CHED COC[C@@H](NCC(C)(C)CC#N)c1cccc(Cl)c1 414169376 RQWHWMQDGDSHCF-CQSZACIVSA-N 280.799 3.557 30 20 CHED CCc1nc(C)c([C@@H](C)NCC(C)(C)CC#N)s1 414174093 XTIFFTPXQXDBPL-SNVBAGLBSA-N 265.426 3.604 30 20 CHED N#CC1(CC[S@@](=O)c2cccs2)CCCCC1 414250220 RAWOKMLJEXWJDU-QGZVFWFLSA-N 267.419 3.720 30 20 CHED C=CC[C@@H](Cc1ccccc1)NCc1ccn(C(F)F)n1 414541061 VUPDJTMNPDOIFQ-AWEZNQCLSA-N 291.345 3.555 30 20 CHED N#Cc1cccc(CSCCC2CCOCC2)c1 419476978 HADFWMVCQVUXQP-UHFFFAOYSA-N 261.390 3.608 30 20 CHED C=CCC[C@@H]1NC(=O)N([C@H](C)c2ccc(C3CC3)cc2)C1=O 420084962 WRFSIJJDRWFLEA-WBMJQRKESA-N 298.386 3.512 30 20 CHED C=C(C)C(C)(C)c1nc(COc2cccc(F)c2)no1 424215627 AXDLIIJIBGZVSQ-UHFFFAOYSA-N 276.311 3.641 30 20 CHED C=C(C)C(C)(C)C(=O)NCc1ccc(NCCC)cc1 425262570 HVOCXFDWWNSOGJ-UHFFFAOYSA-N 274.408 3.727 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1ccccc1OCC(F)F 425547594 XOZFAURPBSOLQI-UHFFFAOYSA-N 283.318 3.871 30 20 CHED CC(C)CN(CC#Cc1ccc(Cl)cc1)C1CC1 426357418 QFMPVWUHLSSAGH-UHFFFAOYSA-N 261.796 3.812 30 20 CHED N#Cc1c(F)cccc1CSCc1nccs1 427849834 GSEJTTAOLKTJPK-UHFFFAOYSA-N 264.350 3.587 30 20 CHED Cc1cc(C)c(C#N)c(N2CC[C@@H](c3ccccc3)[C@@H]2C)n1 433658072 YKNCRUFGSRMCAM-DOTOQJQBSA-N 291.398 3.953 30 20 CHED C=CC1CCN(C(=O)NCC(C)(C)CC(C)C)CC1 435411210 LDOVUUAXLPCRLX-UHFFFAOYSA-N 266.429 3.666 30 20 CHED COc1cc(OCc2cccc(OC(C)C)c2)ccc1C#N 435794282 JREMZHBFDNXASR-UHFFFAOYSA-N 297.354 3.933 30 20 CHED C=C(C)CN(C[C@H]1CCCO1)C1CCC(C)CC1 441449209 OSNISKTUKHCBLW-UYSNPLJNSA-N 251.414 3.622 30 20 CHED CCc1nc(CCNCc2ccc(C#N)c(C)c2)sc1C 443964777 JDHUEOOXZFBBHV-UHFFFAOYSA-N 299.443 3.526 30 20 CHED Cc1cc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)ccc1C#N 443996110 PIEWTMNWSZHXTA-IRXDYDNUSA-N 286.419 3.548 30 20 CHED CCO[C@@H](CNc1nc(C)cc(C)c1C#N)c1ccccc1 444874933 RJWBMIOVOUVFHZ-KRWDZBQOSA-N 295.386 3.760 30 20 CHED C[C@@H](C1CCCCC1)N(C)CCCSCC#N 447388273 WLYVICUITRHJMM-ZDUSSCGKSA-N 254.443 3.534 30 20 CHED COc1cc(C)ccc1CN(C)Cc1ccc(C#N)cc1 449011824 VFHWXWKMWVCKHR-UHFFFAOYSA-N 280.371 3.507 30 20 CHED C=CCCCC[C@H](C)NCc1nccc(C(F)F)n1 449335140 ZCSLOGKBKXKVTD-NSHDSACASA-N 269.339 3.639 30 20 CHED C=CC[C@@H](C)NC(=O)c1cc(Br)c(C)cc1C 449888564 NVQAJRNCJGZWOB-LLVKDONJSA-N 296.208 3.760 30 20 CHED COCCCCN(Cc1ccccc1)CC1(C#N)CCC1 450283316 DEHIORDQAASHMA-UHFFFAOYSA-N 286.419 3.609 30 20 CHED C=CCC1(C(=O)NCC2(C)CCC(OC)CC2)CCCC1 451314372 OHADKHKGSBLXNF-UHFFFAOYSA-N 293.451 3.834 30 20 CHED CC[C@H](CC(C)C)C(=O)NCC(C)(C)CCC#N 451778352 SQYRWZUQONJFJP-CYBMUJFWSA-N 252.402 3.505 30 20 CHED CC(F)(F)CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 452675553 GMEORFPDVGHVFE-UHFFFAOYSA-N 296.317 3.719 30 20 CHED C=CC(C)(C)CN[C@@H]1CCN(C)[C@H](c2ccccc2)C1 453302760 AVGVFZMRAXAJIB-SJORKVTESA-N 272.436 3.624 30 20 CHED C=C(C)CCN[C@@H](C)c1ccc(F)cc1N(C)C 453312520 HEODSLXTXZZCNF-LBPRGKRZSA-N 250.361 3.509 30 20 CHED C=C(CC)CNC(=O)N(CCC)Cc1ccc(F)cc1 455527633 VMGUOXAKACPOBH-UHFFFAOYSA-N 278.371 3.714 30 20 CHED C=CCC1(NC(=O)CC2CCC(=O)CC2)CCCCC1 456362188 GXBAOUVNCOVPCF-UHFFFAOYSA-N 277.408 3.531 30 20 CHED C=CCCC1(C(=O)N[C@H]2CCCN(C)c3ccccc32)CC1 456601531 GHIBMLUNNXIESQ-INIZCTEOSA-N 298.430 3.820 30 20 CHED CC(C)[C@H]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)C1 462548866 VDMRTCGHHCAERH-PBHICJAKSA-N 284.403 3.556 30 20 CHED C[C@H]1Cc2ccccc2CN1c1ccc(Cl)c(C#N)n1 463473104 FLPICLYWJWNUKH-NSHDSACASA-N 283.762 3.558 30 20 CHED CCCC[C@H](CC)C(=O)N[C@](C)(C#N)C(C)(C)C 464295817 CHDYOJPHLMSWAG-SWLSCSKDSA-N 252.402 3.647 30 20 CHED CC#CCCCC(=O)Nc1nc2c(s1)C[C@@H](CC)CC2 464442776 FMSYYARYHWRXTE-LBPRGKRZSA-N 290.432 3.790 30 20 CHED C=CCOc1ccc(C(=O)N2CCC[C@H](CCC)C2)cc1 466846788 CMZSAOBCGMJCOR-HNNXBMFYSA-N 287.403 3.904 30 20 CHED N#Cc1ccc(F)cc1CN1CC[C@@H](c2cccc(F)c2)C1 468854520 GDCKWELZXDLHIB-OAHLLOKOSA-N 298.336 3.826 30 20 CHED CC[C@@H]1CCCC[C@@H]1C(=O)N(CCC#N)CCC(C)C 475669638 VJOSTVZXIWVRBR-CVEARBPZSA-N 278.440 3.991 30 20 CHED C=CCCCOc1ccc2c(c1)C(=O)CC(C)(C)O2 478830888 DHLRSWSAXMLDET-UHFFFAOYSA-N 260.333 3.775 30 20 CHED COC(=O)c1ccc(Cl)c(/C=C\c2ccc(C#N)cn2)c1 480037540 JRDQKLLWMRWRCM-UTCJRWHESA-N 298.729 3.564 30 20 CHED C=C(C)CN(C)Cc1ccc(Br)cc1F 481233554 IIYDATKZMNNFCH-UHFFFAOYSA-N 272.161 3.596 30 20 CHED C=C(CC)CN[C@@H](C)[C@H](OC)c1ccccc1Cl 481477677 AYESOOOJJQFLIH-WFASDCNBSA-N 267.800 3.972 30 20 CHED C=C1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)CC1 481798008 UOCWGKYWAQSDGK-UHFFFAOYSA-N 271.404 3.705 30 20 CHED C=CC[C@@H](C(=O)N1CCC[C@@H](C)CC1)c1ccccc1 488363581 GAGXGGRJLAZCMH-NVXWUHKLSA-N 271.404 3.995 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)on1 488863326 SQAWVOJELZVPBI-AWEZNQCLSA-N 282.343 3.522 30 20 CHED COc1cc(OC)cc(N(C)Cc2ccc(C#N)c(C)c2)c1 488994849 GUQCHXCADYWQPK-UHFFFAOYSA-N 296.370 3.520 30 20 CHED C=CC[C@@H](CC)NC(=O)N1CC2(CCC2)[C@@H]1C(C)C 490304280 YFWDOIJMEMJSRT-KGLIPLIRSA-N 264.413 3.561 30 20 CHED C#CCN(C(=O)c1cncc2ccccc12)C1CCCCC1 490594495 QFAOYRLFJZOWPT-UHFFFAOYSA-N 292.382 3.643 30 20 CHED CC(C)c1ccc(C[C@@H](C)NC(=O)c2ccc(C#N)o2)cc1 495265125 OAERPWLSRIDKED-CYBMUJFWSA-N 296.370 3.636 30 20 CHED C=C[C@@H]1CCCCN1CCCCC1CCOCC1 499716709 ACDVIBMZEJFDAP-MRXNPFEDSA-N 251.414 3.624 30 20 CHED CC(C)(C)CCCN(C#N)c1ccc(F)c(C#N)c1 499978393 XSVQULSKTZMKGH-UHFFFAOYSA-N 259.328 3.811 30 20 CHED COc1cc(C#N)ccc1CN1[C@H](C)C[C@H]2CCCC[C@H]21 501209648 OPVLDABCWUGMHZ-FRFSOERESA-N 284.403 3.720 30 20 CHED C=C(C)CCc1noc(-c2cc([C@H](C)CC)no2)n1 508601495 WPHJQJXJWFTUHH-SNVBAGLBSA-N 261.325 3.747 30 20 CHED Cc1c(C#N)cccc1C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 509457599 YZVJDYOITXMTNX-MRRJBJDNSA-N 282.387 3.660 30 20 CHED C=CCCCCNCc1ccc(-c2cnn(C)c2)s1 509476818 PTRAUZUDHLIMNH-UHFFFAOYSA-N 275.421 3.595 30 20 CHED C=C(C)CCN1CCC[C@H](OCc2ccccc2F)C1 510780481 QYHPBVUSKCOPOL-INIZCTEOSA-N 277.383 3.773 30 20 CHED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1-c1ncco1 515975049 WYMXNECLEZWAMK-STQMWFEESA-N 267.332 3.754 30 20 CHED C[C@H]1CN(Cc2ccc(C#N)cn2)CC[C@H]1c1ccccc1 521894589 UAVCPUXAJAXMCX-HNAYVOBHSA-N 291.398 3.579 30 20 CHED C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1cccc(C#N)c1 531580246 YRMGTPAENSDEFR-GFCCVEGCSA-N 298.336 3.956 30 20 CHED C=C(C)[C@H](CC(=O)Nc1cc(C)cc(C)c1)OCC 533704956 WUVOLCPTSDIJAQ-HNNXBMFYSA-N 261.365 3.613 30 20 CHED CC(C)N(CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 536645264 DWPPVOPVVPWBGZ-UHFFFAOYSA-N 288.288 3.969 30 20 CHED C=CC[C@H](CO)CN[C@H](C)c1ccc(OCC(C)C)cc1 537097186 DCJKDASAWCBWTB-CVEARBPZSA-N 291.435 3.557 30 20 CHED C=C(CC)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 539111439 DGKUDCQIKJSCSM-LLVKDONJSA-N 288.416 3.549 30 20 CHED C=CCC[C@H](NC[C@H]1CCCO[C@@H]1C(C)C)C1CC1 539119233 FUGFQLXJKVNCEK-IXDOHACOSA-N 265.441 3.772 30 20 CHED C=CCCC[C@H](C)NC(=O)N[C@H]1CCCC1(C)C 540487135 MYYYLHUPANLVQJ-STQMWFEESA-N 252.402 3.609 30 20 CHED C=CCCC[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1 540532941 URTIAQYZXXVYHJ-CYBMUJFWSA-N 295.810 3.970 30 20 CHED C=C(C)CN1CCC(N[C@H]2CCC(C)(C)C[C@@H]2C)CC1 542700355 RUKZTHZWXMDGAX-RDJZCZTQSA-N 278.484 3.831 30 20 CHED N#CC1(CN2CCCCc3c(Cl)cccc32)CC1 544528999 KDABLVTZFWVJHG-UHFFFAOYSA-N 260.768 3.786 30 20 CHED C=CCC[C@@H](C)NCc1cn(CCCCC)nc1C 544612884 AEAYFEOYBABWTG-CQSZACIVSA-N 263.429 3.826 30 20 CHED N#Cc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1 545026795 WPDHKHZRAOHNCL-UHFFFAOYSA-N 286.294 3.757 30 20 CHED N#Cc1cc(Cl)ccc1CSC[C@H]1CCCOC1 548142639 RLEKRUVQANDNIG-NSHDSACASA-N 281.808 3.871 30 20 CHED C=CC[C@@H](C(=O)NCC1CC(C)(C)C1)c1ccccc1 548715511 KMQWYYYHZLHBJY-MRXNPFEDSA-N 271.404 3.899 30 20 CHED CC(C)[C@H](NC(=O)[C@H](C)C#N)c1ccc(C(C)(C)C)cc1 549140382 HOCHVUVEZCAJBH-CJNGLKHVSA-N 286.419 3.957 30 20 CHED C=C(C)COc1ccc(-c2ncc3n2CCCC3)cc1 550990663 QCNPMKKCKIIFCT-UHFFFAOYSA-N 268.360 3.841 30 20 CHED C=C[C@@](C)(CC)c1nc(-c2ccc([N+](=O)[O-])s2)no1 564273819 SMLAWZARHZDWRR-LBPRGKRZSA-N 279.321 3.560 30 20 CHED CC[C@@H](C#N)S[C@H]1CCCN(Cc2ccccc2)C1 565891897 HSIZRVTYCDTSFW-HOTGVXAUSA-N 274.433 3.686 30 20 CHED C=C(C)CCc1noc([C@@H]2CCc3ccc(OC)cc32)n1 566704361 DBWKQOGJWYVGST-CQSZACIVSA-N 284.359 3.665 30 20 CHED CC[C@@H](CSc1ccc(C)c(C)c1)NCCC#N 570795353 RIOJACLGWFWYQL-AWEZNQCLSA-N 262.422 3.677 30 20 CHED C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CCC#N)CC1 574449558 CTVOMVQMABIMAO-ZDUSSCGKSA-N 287.363 3.672 30 20 CHED C=C[C@H]1CCCCN1C(=O)c1cccc(C2CC2)c1 576954829 YQUOUAZRWFBZSO-INIZCTEOSA-N 255.361 3.745 30 20 CHED COc1ccccc1CCCN1CCC(CCC#N)CC1 578745292 MXNUYPSETVSOLA-UHFFFAOYSA-N 286.419 3.644 30 20 CHED CC(C)N(C(=O)c1ccc(C#N)cn1)[C@H](C)c1ccccc1 582831671 FDLMJRMJGSCLAP-CQSZACIVSA-N 293.370 3.565 30 20 CHED C[C@@H](c1ccc(C#N)cc1)N1CCC(CCC#N)CC1 584229830 UKBUKHKPLXTNRM-AWEZNQCLSA-N 267.376 3.635 30 20 CHED N#CCCCCCC(=O)N1CCC[C@@H]1Cc1ccccc1 588269315 SVKNXBWYXPXQIY-QGZVFWFLSA-N 284.403 3.694 30 20 CHED Cc1csc(NC(=O)N(C)[C@@H](C)c2ccco2)c1C#N 590606399 UAQLFIALYSHAIJ-JTQLQIEISA-N 289.360 3.746 30 20 CHED CC(C)[C@@H]1N(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1(C)C 590927496 FJKMEYFDBPVWHD-BBRMVZONSA-N 299.418 3.695 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1cnc(C2CC2)s1 591129796 JHXLYTLMTZAVDM-UHFFFAOYSA-N 298.411 3.849 30 20 CHED CO[C@H](CN[C@H](CCC#N)c1ccccc1)CC(C)C 591375698 UBLJTCDXTGYMFS-DLBZAZTESA-N 274.408 3.682 30 20 CHED N#Cc1cncc(-c2ccc(OC3CCCC3)cc2)c1 592982594 AXBBHXHWFMLURU-UHFFFAOYSA-N 264.328 3.942 30 20 CHED CC1(C)C[C@@]1(C#N)NC(=O)c1coc2ccc(Cl)cc12 593161805 YZCMSJXEJINYSJ-HNNXBMFYSA-N 288.734 3.508 30 20 CHED CCC(CC)CN(CCC#N)C(=O)CC1(CSC)CC1 593451149 VBYYTVSIVPKIQI-UHFFFAOYSA-N 296.480 3.698 30 20 CHED N#CCC1(CS[C@@H]2CCc3ccccc3C2)CC1 594907971 JHTXIXSIOFWVHU-OAHLLOKOSA-N 257.402 3.971 30 20 CHED C=CCCSCCN[C@H](C)c1ccc(CC)o1 595061066 XYDRAKPVUXQHAV-GFCCVEGCSA-N 253.411 3.802 30 20 CHED N#CC[C@@H]1CCCN(Cc2ccccc2C2CC2)C1 595623658 WLFUZBMZXXRCEB-AWEZNQCLSA-N 254.377 3.690 30 20 CHED CCC[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)C1CCCC1 595647095 UEOCKBSSSDVAOD-GOEBONIOSA-N 291.439 3.681 30 20 CHED N#Cc1nc(N[C@@H](C2CCC2)C2CC2)sc1Cl 596261457 VBUGKIBXDKMZAT-JTQLQIEISA-N 267.785 3.659 30 20 CHED C[C@H](CCNCCc1ccc(C#N)cc1)c1ccccc1 597178112 OQGXHWUIQCAERP-MRXNPFEDSA-N 278.399 3.884 30 20 CHED CCC[C@H](C(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 597917434 BSYBPPOGUOPWDP-RDJZCZTQSA-N 284.403 3.723 30 20 CHED CCCN(C)c1ccccc1NCc1ccc(C#N)o1 599011917 CQAUKUVBBTZBLU-UHFFFAOYSA-N 269.348 3.610 30 20 CHED C[C@H](CN(C)C(=O)NCC(C)(C)CC#N)C1CCCCC1 599074642 SNPLZKFMCOQSTM-CQSZACIVSA-N 293.455 3.784 30 20 CHED CCC[C@H](C#N)NC(=O)c1cc(-c2ccccc2)oc1C 599235296 VCZQULLPHHGZPW-CQSZACIVSA-N 282.343 3.677 30 20 CHED Cc1ccc(CNCC2CCC(C#N)CC2)c(F)c1 601119804 WOJIHOKMPWPQFY-UHFFFAOYSA-N 260.356 3.554 30 20 CHED CCC(C#N)(CC)C(=O)N(Cc1cccc(F)c1)C1CC1 602237976 HDZGIWBGNGPNHE-UHFFFAOYSA-N 288.366 3.647 30 20 CHED CCN(C[C@H](C)CCC#N)[C@H](C)c1ccc(C#N)cc1 602444781 PXLMGZPMWZZICA-HUUCEWRRSA-N 269.392 3.881 30 20 CHED COc1cc(CN(C)C[C@@H](C)CCC#N)ccc1SC 602456326 XROZKLCFUOUNST-ZDUSSCGKSA-N 292.448 3.789 30 20 CHED C[C@H](CCC#N)CNCc1ccc(C(F)(F)F)cc1 602501445 HJPBEHLIWFDZHI-LLVKDONJSA-N 270.298 3.735 30 20 CHED COc1ccc([C@@H](NC[C@@H](C)CCC#N)C(C)C)cc1 602510229 FKAUZUUKTCRMRF-YOEHRIQHSA-N 274.408 3.922 30 20 CHED C[C@H](CCC#N)CNC[C@H]1CCCC[C@H]1C(F)(F)F 602564678 BRAGXQRSBDDCAY-JHJVBQTASA-N 276.346 3.885 30 20 CHED C[C@@H](CCC#N)CN1CC[C@H](Oc2ccc(Cl)cc2)C1 602676196 MEEFVZXSFYPFHS-BBRMVZONSA-N 292.810 3.733 30 20 CHED CCc1ccc([C@@H](C)CC(=O)N[C@H](C#N)CC(C)C)cc1 609989013 VEGWWTWRWKOJTF-YOEHRIQHSA-N 286.419 3.797 30 20 CHED CC(C)COc1ccccc1CN1CCC[C@@](C)(C#N)C1 612166940 FVBXNFDRPCVSMH-SFHVURJKSA-N 286.419 3.847 30 20 CHED N#C[C@@H]1CC[C@H](NCc2ccc(Cl)c(Cl)c2)C1 613661028 XYQWHKVOTMECSD-KOLCDFICSA-N 269.175 3.775 30 20 CHED C=CC[C@H]1CCCN(C(=O)C[C@H](CC)C(C)C)C1 617784078 MWLKAJAMWLNKAZ-GJZGRUSLSA-N 251.414 3.873 30 20 CHED C=CC[C@@H]1CCCN(C(=O)CCNc2ccccc2C)C1 617787077 HDJTTWGIXDEQPU-MRXNPFEDSA-N 286.419 3.612 30 20 CHED C[C@@H](CCN1CCC[C@](C)(C#N)C1)c1ccccc1 618606454 GPJWZRYMOYEKHP-DOTOQJQBSA-N 256.393 3.806 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc(F)c1 618630619 IZLZCLYXCHYZKR-INIZCTEOSA-N 295.317 3.506 30 20 CHED Cc1cccnc1[C@@H]1CCC[C@H](NCC(C)(C)C#N)C1 619612232 KLRGNSVIICMJKV-CABCVRRESA-N 271.408 3.556 30 20 CHED C=CCN(C(=O)[C@@H](C)Cc1cccc(F)c1)C(C)(C)C 622943559 HMOIUVUTJUZQTK-ZDUSSCGKSA-N 277.383 3.817 30 20 CHED C=CCC(C)(C)CNC(=O)CCc1cccc(OCC)c1 627519286 PUUMSLMWPMDXMK-UHFFFAOYSA-N 289.419 3.736 30 20 CHED C=CCn1c(C)nnc1SCc1ccc(C)c(F)c1 629095257 MOOZZUABFRJNLB-UHFFFAOYSA-N 277.368 3.512 30 20 CHED C=CCCOCC(=O)N(C(C)C)[C@@H](C)c1ccsc1 643326236 BBVHJPBLRBJCCK-ZDUSSCGKSA-N 281.421 3.639 30 20 CHED C=CCC[C@H](NCc1c(C2CC2)cnn1C)c1ccco1 658215041 ZUCOCWXZYSOOPR-HNNXBMFYSA-N 285.391 3.688 30 20 CHED C=CC[C@@H](C)NC(=O)NCc1cc2cc(C)ccc2o1 660680997 IKJFYGLQMBHNEE-GFCCVEGCSA-N 272.348 3.505 30 20 CHED C=CC[C@@H]1CCCN([C@H](C)c2nc(O)c3ccccc3n2)C1 661381222 XVOSUJNHBQCLLY-ZIAGYGMSSA-N 297.402 3.685 30 20 CHED C=CCCNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 661565752 SDEOLMHDAJZDGB-AWEZNQCLSA-N 296.773 3.806 30 20 CHED C=CC[C@H]1CCCN(C(=O)Nc2scnc2CC)C1 666416729 VCKCSXDWTLCISQ-NSHDSACASA-N 279.409 3.526 30 20 CHED C=CCC1(N[C@H](C)C2CCC(F)(F)CC2)CCOCC1 668551690 UOUJMCJEWUEWMU-CYBMUJFWSA-N 287.394 3.915 30 20 CHED C=CCN(Cc1cccs1)Cc1nn(C)c2ccccc12 678123897 ASOIQVYZHHSSRA-UHFFFAOYSA-N 297.427 3.823 30 20 CHED C=C(C)[C@H](NC(=O)N1CC=CCC1)c1ccc(F)c(F)c1 681329756 PTGANDNOEZOUCV-HNNXBMFYSA-N 292.329 3.554 30 20 CHED C#CC1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 709543663 HPULDGJVHBMVTH-UHFFFAOYSA-N 287.428 3.502 30 20 CHED CCC[C@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 726437429 DUCAAXQITMKQKF-VIFPVBQESA-N 281.812 3.687 30 20 CHED Cc1ccccc1C1(C(=O)OCc2ccccc2C#N)CC1 727021747 UCXSWMSQHFTAFL-UHFFFAOYSA-N 291.350 3.642 30 20 CHED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2C)c1 728248013 CBXOBKSGLZMLGP-BEFAXECRSA-N 289.378 3.857 30 20 CHED C#Cc1cccc(N(C)C(=O)[C@H]2CCCc3ccccc32)c1 728482301 AFZHXLRBMRINGM-IBGZPJMESA-N 289.378 3.751 30 20 CHED C#Cc1cccc(N(CC)Cc2cccc(C#N)c2)c1 728574751 PTLIJAGHOKNXPA-UHFFFAOYSA-N 260.340 3.566 30 20 CHED Cc1cc(/C=C\C(=O)c2ccc3nc(O)[nH]c3c2)ccc1F 729149518 IZXGLVTUKNMKLJ-CLTKARDFSA-N 296.301 3.612 30 20 CHED C=C(C)CNc1ccccc1NC(=O)Cc1cccs1 730440097 IBXJPSHFYQDATH-UHFFFAOYSA-N 286.400 3.917 30 20 CHED Cc1cccc(/C=C2\Oc3cc(O)ccc3C2=O)c1C 731157130 RTHWVBPZNMICJE-PXNMLYILSA-N 266.296 3.625 30 20 CHED COc1cccc(/C=N\C[C@H]2CCc3ccccc32)c1O 731938869 WTJIZVBZLJMYOY-VCRXTVNUSA-N 281.355 3.550 30 20 CHED C#CCOc1ccc(CNc2ccc3c(c2)CCC3)cc1 733325118 YSEHBPUEAMLUAA-UHFFFAOYSA-N 277.367 3.799 30 20 CHED C#CCN(C(=O)NC[C@@H](C)C(C)(C)C)C1CCCCC1 734673928 PUORIECOPPICLM-CQSZACIVSA-N 278.440 3.646 30 20 CHED C=CC[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccncc1 734681548 WVLGXHKZQFTCBJ-IAGOWNOFSA-N 299.418 3.673 30 20 CHED C=CCCCN1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C 735490427 KCIOIMVHYJDMMP-GJZGRUSLSA-N 296.455 3.720 30 20 CHED CCCCCCCCOCC(=O)N1CCCC[C@@H]1C 741514358 KJRXMKDJVCINQB-HNNXBMFYSA-N 269.429 3.765 30 20 CHED COc1cccc(F)c1C(C)=NNc1nc2ccccc2[nH]1 741805880 VCKIFJPJOFATSZ-UHFFFAOYSA-N 298.321 3.547 30 20 CHED N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 741995390 BEOUFFPIPRSASD-XOOBQVJSSA-N 294.398 3.656 30 20 CHED CC(C)CN(CCC#N)C(=O)c1cc2cccc(F)c2o1 742053452 IAYFVRBWOVRJLQ-UHFFFAOYSA-N 288.322 3.584 30 20 CHED CN(C)c1ccc(/C=C2\Oc3ccccc3C2=O)cc1F 742437929 XNYMWWQPGPKUQV-YBEGLDIGSA-N 283.302 3.508 30 20 CHED CCCCCCCC(=O)OCC(F)(F)C(F)F 744768523 LBJBVEGEVNTDCV-UHFFFAOYSA-N 258.255 3.791 30 20 CHED C#CC[C@@H](OC(=O)/C=C\c1nc2ccccc2s1)C(C)C 747195488 FNRXWDXEDQSZAG-IWMPZKFUSA-N 299.395 3.901 30 20 CHED CCN(C)c1ccc(C(C)=NNc2cccc(OC)c2)cc1 748075106 AHWIALSWGCNPRK-UHFFFAOYSA-N 297.402 3.987 30 20 CHED C[C@H](OC(=O)/C=C\c1ccsc1)c1ccc(C#N)cc1 748680966 YBDQIJMSOMGRIJ-KMSCOEIWSA-N 283.352 3.937 30 20 CHED Fc1ccc(NN=Cc2cc(Cl)ccc2Cl)nc1 753700586 MCWZOFSWOSAOSN-UHFFFAOYSA-N 284.121 3.974 30 20 CHED O=C(/C=C\c1cc(Cl)ccc1Cl)c1cnccn1 753718242 UUGQTPKQTUQCPU-RJRFIUFISA-N 279.126 3.680 30 20 CHED Cc1nc(C#N)c(NN=CCCCCOc2ccccc2)o1 753954504 DEYXHKLLZHBFLM-UHFFFAOYSA-N 298.346 3.502 30 20 CHED COc1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)c(O)c1 755598327 HVFKEFPLBLDQDO-GORDUTHDSA-N 290.265 3.575 30 20 CHED C=C1CCN(C(=O)/C(C)=C\c2ccccc2Cl)CC1 755862994 VSLNNQZOVOFDJC-QBFSEMIESA-N 275.779 3.922 30 20 CHED Cc1ccnc(NN=C2CC(C)(C)Oc3ccccc32)c1 755902374 KDPNRUWFWZSTRV-UHFFFAOYSA-N 281.359 3.767 30 20 CHED CCn1c(C)cc(C=NNCc2cccc(Cl)c2)c1C 756831098 HEYDIYTTZQHUFZ-UHFFFAOYSA-N 289.810 3.902 30 20 CHED O=C(/C=C\c1cc2ccccc2o1)c1cc(O)ccc1O 757467657 IHOBKBKGXFOFDC-VURMDHGXSA-N 280.279 3.740 30 20 CHED FC(F)(F)CON=C1CCCc2c(Cl)cccc21 758128150 FJZVWODWJIFJTD-UHFFFAOYSA-N 277.673 3.959 30 20 CHED CC(=NNC1CC1)[C@@H](C)c1nc2ccccc2s1 758134001 VIEAEVQGNFEXBC-SECBINFHSA-N 259.378 3.528 30 20 CHED C#CCNC(=S)N[C@@H](CC(C)C)c1ccc(Cl)cc1 758247795 RUBIFENDWHZJEL-AWEZNQCLSA-N 294.851 3.525 30 20 CHED Cc1cc(Cl)ncc1NCc1ccc(C#N)cc1F 758476233 KEMALZFTDOBGLJ-UHFFFAOYSA-N 275.714 3.666 30 20 CHED Cc1ccccc1CCCOC(=O)c1ccc(CC#N)cc1 758689459 ZAHATHXLVOUVSF-UHFFFAOYSA-N 293.366 3.851 30 20 CHED C=CCN(C(=O)C[C@@H](C=C)c1ccccc1)C(C)C 759010945 TVOZXDZLPXBJHP-OAHLLOKOSA-N 257.377 3.769 30 20 CHED Cc1cc2c(cc1C)C(=O)/C(=C/c1scnc1C)O2 759117251 MEPMYNCRQLAPNI-MLPAPPSSSA-N 271.341 3.685 30 20 CHED COc1ccc(C=NNc2cc(C)ccc2F)cc1F 759653586 RXOYGYAPKLJOAE-UHFFFAOYSA-N 276.286 3.728 30 20 CHED C#CCCN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 760848761 ZAWXCARQUYRXLX-AWEZNQCLSA-N 293.842 3.661 30 20 CHED CCOc1cccc(/C=N\C2CCC(F)(F)CC2)c1O 761181093 NBUQKVYLPJIVIW-ZDLGFXPLSA-N 283.318 3.788 30 20 CHED Cc1ccc(CC(=O)OCc2cccc(C#N)c2)c(Cl)c1 761993489 SUZNBGIQAHOOHD-UHFFFAOYSA-N 299.757 3.806 30 20 CHED Fc1ccccc1C=NOCc1ncccc1C(F)(F)F 762190445 XRYFQNWERVYULL-UHFFFAOYSA-N 298.239 3.790 30 20 CHED COc1cccc(/C=N\Cc2c(C)cccc2C)c1O 764412460 CQDVNXJHFUEBRO-ZDLGFXPLSA-N 269.344 3.637 30 20 CHED C#CCN(C(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CC1 764678035 IQMJQYCGVKWFGQ-OAHLLOKOSA-N 290.794 3.598 30 20 CHED C[C@@H](CC=NN1CCc2ccccc2C1=O)c1ccccc1 769594790 YJBRHDNCYZVSQM-HNNXBMFYSA-N 292.382 3.865 30 20 CHED CC(=NN=C1CCCc2c(C)ccc(C)c21)c1cnccn1 769791738 SRPRRSDQZQCBDR-UHFFFAOYSA-N 292.386 3.643 30 20 CHED CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C)s1 769822346 JJUVNPUAILIKNI-UHFFFAOYSA-N 293.323 3.940 30 20 CHED C#C[C@@H](C)N(C)C(=O)Nc1ccccc1Oc1ccccc1 770054804 HKHTWLQOXBSUQS-CQSZACIVSA-N 294.354 3.964 30 20 CHED C[C@H](C#N)COC(=O)c1ccc(Oc2ccccc2)cc1 770936659 KEJNPHRZURMCOG-CYBMUJFWSA-N 281.311 3.795 30 20 CHED CCCCCCCC(=O)N1CCC(C)(COC)CC1 773979545 QOSUUJMOGSEZPG-UHFFFAOYSA-N 269.429 3.622 30 20 CHED C=C(Cl)COc1ccc(C(C)=NOCCOCC)cc1 774435167 OTJYRBWHZKBPMU-UHFFFAOYSA-N 297.782 3.595 30 20 CHED N#Cc1ccc(C(=O)O[C@@H]2COc3cc(Cl)ccc32)cc1 774525422 MOPLKNIHCFLELF-OAHLLOKOSA-N 299.713 3.502 30 20 CHED C=CCCCCCN(C)Cc1cn(Cc2ccccc2)nn1 775605170 XVEGQFFOHOROFQ-UHFFFAOYSA-N 298.434 3.505 30 20 CHED C=CCCC[C@@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 776205459 YMVDRCMBZBQPAR-LLVKDONJSA-N 293.392 3.626 30 20 CHED COc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)ccc1C 776366725 RXVHKOYITHTSHF-INIZCTEOSA-N 287.359 3.633 30 20 CHED Fc1ccc(C2=CCC(=NNc3cnccn3)CC2)cc1 776763268 BCQFHMWFUMHCOR-UHFFFAOYSA-N 282.322 3.651 30 20 CHED CCCn1nc(C)c(C=NOC2CCCCC2)c1C 777457103 KVSWSKONSYDGCS-UHFFFAOYSA-N 263.385 3.593 30 20 CHED COC[C@@H](C)NN=C1CCC[C@H]1c1ccc(Cl)cc1 777894772 PQSIKDFSQJWUMA-RISCZKNCSA-N 280.799 3.588 30 20 CHED C#CCOc1cccc(Cl)c1CNCc1ccoc1C 778159983 RONLMRAGUYKDQV-UHFFFAOYSA-N 289.762 3.543 30 20 CHED CC#CCOC(=O)c1ccccc1Oc1ccccc1C#N 778176869 CQOIZAQDAJURDI-UHFFFAOYSA-N 291.306 3.531 30 20 CHED C[C@H]1CC(=NN=c2cc[nH]cc2)C[C@H](c2ccccc2)C1 779808077 CJXOXJBNRQMTLF-GDBMZVCRSA-N 279.387 3.875 30 20 CHED C=CCN(Cc1ccccc1)C(=O)c1ncc(C)cc1C 779833667 IULXROOWRNCVBI-UHFFFAOYSA-N 280.371 3.527 30 20 CHED C#CCCCCCC(=O)N1C[C@H]2CCCN2c2ccccc21 779837406 OQACCBYTOXZLHG-MRXNPFEDSA-N 296.414 3.586 30 20 CHED C#CCCCCCC(=O)N[C@@H]1CCOC2(CCCCC2)C1 779938212 PNNHVEDPTVRCLG-MRXNPFEDSA-N 291.435 3.568 30 20 CHED C#CCCCCCC(=O)Nc1ccc(C(F)(F)F)nc1 780011824 JLTCYMNBRJEKKO-UHFFFAOYSA-N 284.281 3.623 30 20 CHED Fc1cc(NN=Cc2cccc3ccccc23)ccn1 781132870 PFTRJLIKMGRCBE-UHFFFAOYSA-N 265.291 3.820 30 20 CHED O=C(O)c1csc(/C=C\C(=O)c2ccc(F)cc2F)c1 782199879 JJJFZZSXTBTZCD-RQOWECAXSA-N 294.278 3.621 30 20 CHED CCOc1ccc(O)c(/C=N\C[C@@H](SC)C(C)(C)C)c1 783682519 WNKZAMAAZNLZKJ-DISPHTKASA-N 295.448 3.988 30 20 CHED C=CCCCCCOC(=O)c1ccc(-c2n[nH]c(C)n2)cc1 783883223 AHSDOBZKZCBSRT-UHFFFAOYSA-N 299.374 3.683 30 20 CHED Cc1nn(C(C)(C)C)c(C)c1C=NNC1CCCCC1 786043643 QENMMHUWKIFLGU-UHFFFAOYSA-N 276.428 3.511 30 20 CHED CC(=NNc1cccc(F)c1)c1cnn(C(C)C)c1C 787153643 NPVBZURQDYJSBJ-UHFFFAOYSA-N 274.343 3.748 30 20 CHED C#CCC1(C(=O)O[C@@H](C)C(=O)c2ccccc2)CCCCC1 788213513 OALVCZMCTDUOCM-HNNXBMFYSA-N 298.382 3.775 30 20 CHED C#CCC1(C(=O)N[C@@H](C)CCC2CC2)CCCCC1 788247660 ILRCTIBHBXFYNI-AWEZNQCLSA-N 261.409 3.655 30 20 CHED Cc1cc(C=NNCc2ccc(Cl)cc2)cc(Cl)n1 788717804 BDLHZDLHOSAMGY-UHFFFAOYSA-N 294.185 3.821 30 20 CHED CC(=NNc1cccc(C(F)(F)F)c1)c1coc(C)n1 788940374 RQPGQSRJHKPRLR-UHFFFAOYSA-N 283.253 3.838 30 20 CHED C#C[C@H](C)NC(=O)Nc1ccccc1-c1cccs1 789837186 UJLNBBOWWCGGNZ-NSHDSACASA-N 270.357 3.558 30 20 CHED COC1(C=NNc2ccc(OC(F)F)cc2)CCCC1 790165793 VZZOYOZZYUOJLT-UHFFFAOYSA-N 284.306 3.645 30 20 CHED CO[C@@H](C)C(C)=NNc1cc(Cl)cc(Cl)c1 790202729 XEYBYXPDWIFAHE-QMMMGPOBSA-N 261.152 3.816 30 20 CHED CC[C@@H](C)CON=Cc1ccc(SC)c(OC)c1 793164554 WHVCRYSHOATZKG-LLVKDONJSA-N 267.394 3.814 30 20 CHED C=CCCCCC[C@H](C)NCc1nccn1C(F)F 793530008 VQIPKDHCBOMDLJ-LBPRGKRZSA-N 271.355 3.893 30 20 CHED COC(=O)c1csc(C(=O)/C=C/C=C/c2ccccc2)c1 794723914 MELUESYHMKIMKO-NXZHAISVSA-N 298.363 3.987 30 20 CHED COCCCON=CC(c1ccccc1)c1ccccc1 795050693 GPSOMDRYZXUKQC-UHFFFAOYSA-N 283.371 3.857 30 20 CHED COc1ccccc1CON=Cc1ccc([C@@H]2C[C@H]2C)o1 799117958 QFLXVOLSKMKRLE-IUODEOHRSA-N 285.343 3.962 30 20 CHED Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C)cc1C#N 799333009 GOSANEQMUGOXOZ-AWEZNQCLSA-N 290.366 3.626 30 20 CHED C#Cc1cccc(N(CC)C(=O)[C@H]2CCCC(F)(F)C2)c1 799930990 BYMXYCSLMGTAFS-AWEZNQCLSA-N 291.341 3.846 30 20 CHED C=Cc1cc(OC)c(OCCC(C)(C)C#N)c(OC)c1 799961318 JMFIBXLOOVABDL-UHFFFAOYSA-N 275.348 3.665 30 20 CHED C[C@@H](C#N)OCCN[C@@H](c1ccc(F)cc1F)C(C)(C)C 801938956 LRSBVUMCQITXES-NHYWBVRUSA-N 296.361 3.570 30 20 CHED C=CCCCCCCCCNC(=O)Nc1cc(C)nn1C 806141816 WMYVVYUOZVMGFF-UHFFFAOYSA-N 292.427 3.767 30 20 CHED Cc1ccc(O)c([C@H](C)NCC(C)(C)CCC#N)c1 806178081 OKECAPFRNOEVSV-ZDUSSCGKSA-N 260.381 3.681 30 20 CHED Cc1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)s1 806579699 OCAHCNFFDAKVJB-TWGQIWQCSA-N 275.760 3.927 30 20 CHED Cc1cc([N+](=O)[O-])ccc1NN=Cc1cc(F)ccc1F 807989894 PKCNYRSUUKHGCK-UHFFFAOYSA-N 291.257 3.627 30 20 CHED C[C@@H]1C[C@H]1c1ccc(C=NNc2nccnc2C2CCC2)o1 807991786 RZWYRILYQRXOPV-BXUZGUMPSA-N 296.374 3.907 30 20 CHED C#C[C@H](NC(=O)N(CC)Cc1ccccc1C)C(C)(C)C 808315167 VVTAPBQVBUXZLS-INIZCTEOSA-N 286.419 3.574 30 20 CHED C[C@@H](C#N)Oc1ccc(CN2CCc3cccc(F)c32)cc1 809767907 XMZXZRPIMTUYGZ-ZDUSSCGKSA-N 296.345 3.679 30 20 CHED C=CCCCCOC(=O)c1nccc2ccccc12 811013270 NUGQAUMNWVHNCU-UHFFFAOYSA-N 255.317 3.748 30 20 CHED C=CCCCCCCCNC(=O)c1cnn(C)c1C(F)F 811590907 REVDIWBURFLXRJ-UHFFFAOYSA-N 299.365 3.614 30 20 CHED COc1cccc2cc(C=NOC/C=C/Cl)oc12 811668063 ANOLPHSTGHWDDV-LPTQTZJXSA-N 265.696 3.544 30 20 CHED CCc1cnccc1C(=O)/C=C/c1cccc(F)c1C#N 811691985 BAZVNGUNEARPEE-VOTSOKGWSA-N 280.302 3.551 30 20 CHED COc1ccc(C(=O)/C=C/c2cccc(C)c2C)cc1O 811696866 AMWRSCNVUUGOOY-VQHVLOKHSA-N 282.339 3.914 30 20 CHED C=CCCCCCCCNC(=O)N1CC[C@H](C2CC2)C1 811927054 IXEVAPZFBWPOPK-INIZCTEOSA-N 278.440 3.955 30 20 CHED C=CCCCCCCCNC(=O)N1CCSC[C@@H](C)C1 811927897 SMOOZGAZGGWHAS-HNNXBMFYSA-N 298.496 3.908 30 20 CHED COc1ccc(F)cc1/C=C/C(=O)c1cccc(C#N)c1 812242754 ZYSSEMQLIJQJLK-FNORWQNLSA-N 281.286 3.602 30 20 CHED CC#CCCCC(=O)O[C@@H]1CCOc2cccc(C)c21 814032543 IQJGZAWXPYQIQA-OAHLLOKOSA-N 272.344 3.555 30 20 CHED Cc1ccc2cc(C=NOCCC3CC3)ccc2n1 814246353 JBLQQJDCTAPKPZ-UHFFFAOYSA-N 254.333 3.694 30 20 CHED CC[C@H](C#N)OC(=O)c1c(C)ccc(Br)c1C 814501949 VKWOVGPERWQFHV-SNVBAGLBSA-N 296.164 3.525 30 20 CHED C[C@H]1SCCC1=NNc1ccccc1Br 814792640 RPRXCKJERLBQIA-MRVPVSSYSA-N 285.210 3.742 30 20 CHED Cc1cc(OC(=O)c2ncc(C#N)cc2C)ccc1C(C)C 814813873 LORAAXYNEGEFIF-UHFFFAOYSA-N 294.354 3.913 30 20 CHED CC(C)c1cnc(C=NN=c2cc[nH]c3ccccc23)s1 814841289 KFLZPZAEQNCGMD-UHFFFAOYSA-N 296.399 3.683 30 20 CHED Cc1cccnc1NN=C1CCCc2sccc21 814911520 MCUKQPCNHVWSSP-UHFFFAOYSA-N 257.362 3.604 30 20 CHED CC1(C)OCCC1=NNc1ccc(C#N)cc1C(F)(F)F 814923405 RSVYFEAFXYRUSN-UHFFFAOYSA-N 297.280 3.544 30 20 CHED COc1cc(Cl)ccc1C(C)=NOC1CCC1 817328603 ILILNJYPNGNXDU-UHFFFAOYSA-N 253.729 3.642 30 20 CHED C=CCC(CC=C)C(=O)OC[C@]1(C)C[C@@]1(F)Cl 821880314 RACUJTXCNGRWBT-STQMWFEESA-N 260.736 3.613 30 20 CHED CCC(F)(F)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 826915549 OLMJCFJAHIISAM-CYBMUJFWSA-N 294.345 3.710 30 20 CHED C=C[C@H]1CCCCN1C(=O)C[C@@]1(C)CC1(Cl)Cl 830696280 DIBQGKMMVAAYTO-JQWIXIFHSA-N 276.207 3.528 30 20 CHED CC(=NNc1ccc(C(C)C)cc1)c1cn(C)c(C)n1 835018699 RVFVVUYDZLJQCM-UHFFFAOYSA-N 270.380 3.688 30 20 CHED C=CCC1(C(=O)OCc2csc(C)n2)CCCC1 835089507 DIRVDTQCTXYQFL-UHFFFAOYSA-N 265.378 3.631 30 20 CHED C#C[C@H](C)OC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 835178033 JWKQXUXBJORGAX-VHSXEESVSA-N 270.250 3.531 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1ccccc1Cl 835234677 BSJYILPYQZIFEX-SUHUHFCYSA-N 280.751 3.535 30 20 CHED C=CC[C@@H](OC(=O)[C@H](CCC)OC)c1ccccc1 835324249 REVDYIMSRGNVJB-CABCVRRESA-N 262.349 3.662 30 20 CHED CC[C@](C)(C#N)C(=O)OCc1cnc2ccc(C)cc2c1 836110014 YBAHSSWZWDHBIO-QGZVFWFLSA-N 282.343 3.526 30 20 CHED CC(C)(C)C#CC(=O)N1CCCC[C@H]1c1ccccc1 837532152 KOGBNWALGOLBBE-INIZCTEOSA-N 269.388 3.790 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)c2cnc3ccc(F)cc3c2)C1 839050490 BMJVVBVZTFRKGI-IAQYHMDHSA-N 298.317 3.613 30 20 CHED CCC[C@](C)(CC)C(=O)O[C@H]1CCC[C@H](C#N)C1 839059422 PNKCINROJSTXSU-YDHLFZDLSA-N 251.370 3.828 30 20 CHED CCOc1ccc(/C=N\CC(C)(C)c2ccccn2)c(O)c1 840708532 XXDWMQFFFGMNPW-UNOMPAQXSA-N 298.386 3.583 30 20 CHED Cc1cc(N(C)C)ccc1/C=C\C(=O)c1cnn(C(C)C)c1 840718759 OESNNMKXVNZZCH-CLFYSBASSA-N 297.402 3.735 30 20 CHED N#C[C@@H]1CCC[C@@H](OC(=O)Cc2cccc(C3CC3)c2)C1 841255717 LOUSYBIWGMYMKL-RHSMWYFYSA-N 283.371 3.732 30 20 CHED N#C[C@@H](C(=O)[C@H]1Cc2ccccc21)c1nc(C2CC2)cs1 842942124 WFZBLCUXUKVWOC-KBPBESRZSA-N 294.379 3.537 30 20 CHED C=C(C)CONC(=O)Nc1cc(Cl)c(C)c(Cl)c1 844522877 WTBANQFCNBJKBV-UHFFFAOYSA-N 289.162 3.931 30 20 CHED C=C(C)CNC(=S)N(C)[C@@H](C)CSc1ccccc1 844572350 XRWQFHRNHYWRQG-ZDUSSCGKSA-N 294.489 3.550 30 20 CHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1nccs1 847744459 QUXLVPNYRCZFIG-GRYCIOLGSA-N 265.378 3.681 30 20 CHED CCCC[C@H](C)C(C)=NNc1ccc(CC(=O)O)cc1 848413747 CVVGTLWHOYKXJQ-LBPRGKRZSA-N 276.380 3.928 30 20 CHED C=C(C)[C@@H](CC(=O)O[C@H](C)Cc1ccsc1)OCC 851143056 BKPGTFZNWSGHJJ-TZMCWYRMSA-N 282.405 3.594 30 20 CHED C/C(=C/C(=O)O[C@H](C)CC(C)(C)C#N)c1ccco1 851206908 YHIJOBLNWDKTJQ-NXIHDVOMSA-N 261.321 3.554 30 20 CHED C=C[C@@H](OC(=O)CC1CC(OCC)C1)c1ccccc1 851452435 SKBULWQNAYRUKY-AVVWSFFYSA-N 274.360 3.662 30 20 CHED CCCCOc1ccc(/C=C2/CCn3nccc3C2=O)cc1 853008827 ABCVFZZCQZLXCQ-SQFISAMPSA-N 296.370 3.732 30 20 CHED CC(CC(C)(C)C#N)=NNCc1ccc(Cl)cc1 853318909 XYWMPWFIQADPBH-UHFFFAOYSA-N 263.772 3.745 30 20 CHED COC1(C(C)=NNc2nc3ccccc3cc2C)CCC1 853329363 GXIXPGSOBQQFSU-UHFFFAOYSA-N 283.375 3.900 30 20 CHED CSCCCSc1nc(C#N)c(Cl)s1 853677025 JRWLLHFDVDBCGF-UHFFFAOYSA-N 264.828 3.513 30 20 CHED C=CC[C@@H]1CCCN(C(=O)N[C@H](CC=C)c2ccncc2)C1 853746999 NJBHJNRYHDIRMH-NVXWUHKLSA-N 299.418 3.697 30 20 CHED C=CCCCCC[C@@H](C)NCC1(C(=O)O)CCCC1 854243217 YBMDNSCHWGAAJD-CQSZACIVSA-N 267.413 3.746 30 20 CHED C#C[C@@](C)(CC)NC(=O)CCCc1ccc(SC)cc1 854692601 FFAFOANBDPXSBL-KRWDZBQOSA-N 289.444 3.649 30 20 CHED CCO[C@@H]1CCCC1=NNc1cccc(F)c1Cl 863158779 QIVLYGJQGYYWLC-GFCCVEGCSA-N 270.735 3.836 30 20 CHED Cc1cccc(NN=C(c2ccccc2C)C2CC2)n1 863160256 WVSDSZKYWDYMEY-UHFFFAOYSA-N 265.360 3.925 30 20 CHED CC(C)C(=NNCCCOCc1ccccc1)C1CC1 863178351 MVISTZOHKSCBMW-UHFFFAOYSA-N 274.408 3.605 30 20 CHED C=C(C)C[C@H](NCc1c(CC)oc2ccccc12)C(=O)O 864530998 SEIIXLRTJBCIJT-AWEZNQCLSA-N 287.359 3.504 30 20 CHED C=CC(C)(C)CC(=O)Nc1ccc(O)cc1OC(C)C 879771555 ZERFOKDWZFDNGD-UHFFFAOYSA-N 277.364 3.720 30 20 CHED C#Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 891314738 ZBKTZTOGCSNTDD-STQMWFEESA-N 295.304 3.975 30 20 CHED CCOc1cccc(C(=O)/C=C\c2c(C)noc2CC)c1 899350663 LNKHQINOWWZKDB-KTKRTIGZSA-N 285.343 3.840 30 20 CHED N#Cc1ccc(OCCCCC2(C#N)CCC2)c(F)c1 901520151 PCJHECKAPBJIDL-UHFFFAOYSA-N 272.323 3.940 30 20 CHED C=CCC[C@H](N[C@@H](C)[C@H](C)c1ccc(Cl)cc1)C(=O)O 901690478 OCWSBFXICLWFKL-HUBLWGQQSA-N 295.810 3.841 30 20 CHED N#CC1(COc2cccc(Oc3ccncc3)c2)CCC1 902792377 CRBOYVGSRAEGMZ-UHFFFAOYSA-N 280.327 3.947 30 20 CHED N#CC1(CCCCN(CCCN)CC2CCCC2)CCC1 903749599 MSAXXBVVIGRKOE-UHFFFAOYSA-N 291.483 3.692 30 20 CHED C=CCCc1ccccc1NC(=O)[C@H]1CCO[C@H]1C(=C)C 905191054 RQNIMMJZIQVMHQ-RDJZCZTQSA-N 285.387 3.725 30 20 CHED Cc1ccccc1[C@H](C)C(=O)Nc1scc(C)c1C#N 905521539 RKOSULLYINUJKT-LBPRGKRZSA-N 284.384 3.979 30 20 CHED COc1cc(NC[C@H](O)CC(C)(C)C#N)cc2ccccc12 905637140 UCVWMYWSQXKIBS-OAHLLOKOSA-N 298.386 3.561 30 20 CHED N#C[C@H]1CCC[C@@H](OC(=O)c2cc(F)cc3ccoc23)C1 905929430 PGNRAZJTYBRSNN-GXFFZTMASA-N 287.290 3.811 30 20 CHED CSc1ccc(CCC(=O)OCC2(CC#N)CC2)cc1 910206250 UPURPNBHUWYPED-UHFFFAOYSA-N 289.400 3.578 30 20 CHED C=CCCC[C@H](N)C(=O)Nc1ccccc1C(C)(C)C 911646695 VSUIRGSSGXNYHE-AWEZNQCLSA-N 274.408 3.606 30 20 CHED CC(C)Oc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1 916245089 UEHNVZHMEWDLOO-UHFFFAOYSA-N 299.330 3.828 30 20 CHED CC(=NNc1ccc(F)cc1F)c1cc(C)ccc1O 916248300 YYJPPMIDDOIPFT-UHFFFAOYSA-N 276.286 3.815 30 20 CHED C=CCOC(=O)CSc1ccc(C(C)C)cc1 919320484 FZEGNFNRPVESLN-UHFFFAOYSA-N 250.363 3.631 30 20 CHED CCCCNN=Cc1cc(Cl)cc(Cl)c1OC 921258570 XHBNFKOEEYPRBP-UHFFFAOYSA-N 275.179 3.726 30 20 CHED COc1ccc(Cl)cc1CN[C@@H](C)CC(C)(C)C#N 924838963 QNBFTQOCERCLTI-NSHDSACASA-N 280.799 3.767 30 20 CHED C=C(CN[C@H]1CCCC[C@@H]1CCCO)c1ccccc1 924840487 HGEROMHTQOHKOC-MSOLQXFVSA-N 273.420 3.621 30 20 CHED C[C@@H](c1ccccc1)N1CC[C@@H](N[C@H](C)CC(C)(C)C#N)C1 924962386 DTJGQVRSQITJAC-SOLBZPMBSA-N 299.462 3.740 30 20 CHED C=C(C)CN(CC)C(=O)Nc1ccc(-c2ccon2)cc1 933727725 COHDRKOZRIEPPU-UHFFFAOYSA-N 285.347 3.772 30 20 CHED C=C[C@H](CC)CC(=O)Nc1nc(C2CCOCC2)cs1 935961626 GDSHHCMZWLUKAL-LLVKDONJSA-N 294.420 3.578 30 20 CHED N#C[C@H]1CCC[C@H](Nc2cccc(CN3CCCC3)c2)C1 1116825672 RFFHRSJEDCZJAW-RDJZCZTQSA-N 283.419 3.777 30 20 CHED CC(C)(C)Cc1nnc(-c2cc3ccccc3n2CC#N)o1 1117214721 XSBBDTUFQSHFMP-UHFFFAOYSA-N 294.358 3.803 30 20 CHED C[C@@H](CC1CCCCC1)C(=O)N(C)c1ccc(C#N)nc1 1118229731 IFQZIVYLRUTAHJ-ZDUSSCGKSA-N 285.391 3.523 30 20 CHED C=CC[C@H](N[C@H]1CCCc2ncccc21)c1ccncc1 1118991937 TUZJURWNOHHRLU-WMZOPIPTSA-N 279.387 3.761 30 20 CHED C=C(C)Cn1c([C@H](C)SC)nnc1N1C[C@@H](C)C[C@H]1C 1122596904 ZVJWLNVPQMAHSU-XQQFMLRXSA-N 294.468 3.513 30 20 CHED Cc1oc(C#N)cc1C(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 1131561384 XSQFGQVQKLUEHC-PWSUYJOCSA-N 275.348 3.831 30 20 CHED Cc1nc(NC[C@@H]2CCCc3ccccc32)ccc1C#N 1162556188 ZPIJGHDKJBAHTB-INIZCTEOSA-N 277.371 3.794 30 20 CHED Cc1cc(CN2CC[C@@H]3CCCC[C@@H]3C2)ccc1C#N 1180404699 XEQKOCQIRXVIRU-FUHWJXTLSA-N 268.404 3.879 30 20 CHED CC(C)CN(Cc1ccccc1)c1ccnc(C#N)c1 1185081236 JQWKGRMHIZJSMK-UHFFFAOYSA-N 265.360 3.616 30 20 CHED COc1ccc(C#N)cc1CN1CCC[C@@]1(C)CC(C)C 1194534113 OHINNBZLPFDNQD-SFHVURJKSA-N 286.419 3.967 30 20 CHED CCC(CC)N(CC(C)C)C(=O)c1csc(C#N)c1 1261260442 NUMMIPMZNWWDKI-UHFFFAOYSA-N 278.421 3.907 30 20 CHED N#CCOc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1 1264056112 BYMSONNQUIWNIV-UHFFFAOYSA-N 292.338 3.719 30 20 CHED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3C[C@@H]3F)c2)cc1 1265040218 LQZQVMVFJQAAST-HOTGVXAUSA-N 296.301 3.647 30 20 CHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1cc(C)ccc1C 1267300583 IHVKUKMWCNFXTC-CZUORRHYSA-N 259.349 3.848 30 20 CHED CCCOC(=O)[C@H](C)Sc1ccc(Cl)cc1C#N 1307310020 GCWHTEACOVSQNV-VIFPVBQESA-N 283.780 3.645 30 20 CHED CCC1(CC)CCCN(c2cccc(CC#N)n2)CC1 1320637071 KWOGNYHPJUADDF-UHFFFAOYSA-N 271.408 3.944 30 20 CHED Cc1ccc([C@@H]2CCCN2C(=O)c2csc(C#N)c2)cc1 1324370554 RZNYSVOCSYWAEJ-INIZCTEOSA-N 296.395 3.906 30 20 CHED Cc1ccc(CC2CCN(CC3(C#N)CC3)CC2)cc1 1325186797 CZOBGVMCZILZMI-UHFFFAOYSA-N 268.404 3.553 30 20 CHED CC(C)(CCC#N)CNC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1329267536 VWRGTKZNNGCYLK-HUUCEWRRSA-N 291.439 3.538 30 20 CHED C=C1CCN(C(=O)Nc2cc(Cl)ccc2N(C)C)CC1 1333371854 DABFVGOTOKDKMQ-UHFFFAOYSA-N 293.798 3.590 30 20 CHED C=CCC[C@H]1CCCN1C(=O)c1cc(C)n([C@@H](C)CC)n1 1336218787 RKOFGPLHJNUIMX-ZFWWWQNUSA-N 289.423 3.733 30 20 CHED C=C(C)CCC(=O)N[C@H]1CCOc2c(CC)cccc21 1337113149 FBUKWOXXYJHSGG-HNNXBMFYSA-N 273.376 3.545 30 20 CHED CC[C@H](C)n1nccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 1338746619 KKEBFPFALGFYDB-STQMWFEESA-N 297.358 3.644 30 20 CHED C=C(C)CCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 1339013336 WMPBVOIDZCVNJY-UHFFFAOYSA-N 262.309 3.506 30 20 CHED C[C@@H](CCC#N)CN1CC(Cc2c(F)cccc2Cl)C1 1349625053 LPTHXLYSXRKQHW-LBPRGKRZSA-N 294.801 3.893 30 20 CHED C=CCn1c([C@H](C)SC)nnc1N1CC[C@@H](C)[C@@H]1CC 1351819149 MUHJIVVSLIUIMT-AGIUHOORSA-N 294.468 3.513 30 20 CHED CCCC1CCC(NC(=O)c2cc(C#N)ccc2F)CC1 1434871289 BNKRHIVUBQQRDV-UHFFFAOYSA-N 288.366 3.786 30 20 CHED N#Cc1cc(F)ccc1NC(=O)c1nsc2ccccc12 1435416414 RJCYNWOXTOTKPJ-UHFFFAOYSA-N 297.314 3.559 30 20 CHED N#C[C@H]1CC[C@@H](NCc2ccc(Oc3ccccc3)o2)C1 1474187716 VIQCDUIKZNKCNB-UONOGXRCSA-N 282.343 3.854 30 20 CHED Cc1ccc(N(C(=O)Cc2cccc(C#N)c2)C(C)C)cc1 1519782254 KGXRRXLVGNXFTH-UHFFFAOYSA-N 292.382 3.851 30 20 CHED C=C(CC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 1527408915 DHBXATYJOOUEJX-UHFFFAOYSA-N 286.419 3.602 30 20 CHED C=C(CC)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 1527647330 ROPSXXMQRGEMNT-UHFFFAOYSA-N 281.359 3.654 30 20 CHED CCC1(CNC(=O)[C@H](CC#N)c2ccccc2)CCCC1 1535358251 PTDKJZQCTCIMNY-MRXNPFEDSA-N 284.403 3.770 30 20 CHED CC[C@H](NC(=O)Nc1cc(C)cc(C#N)c1)[C@@H]1CC1(C)C 1562939824 WRRPIRHXMJWEIF-GJZGRUSLSA-N 285.391 3.813 30 20 CHED CC[C@H]1CCC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 1565812391 VEUDBCRYJWMULF-JQWIXIFHSA-N 292.329 3.535 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1c(Cl)ccc(F)c1C(=O)O 1588691143 SGSBLGDJCBZVDU-QMMMGPOBSA-N 299.729 3.718 30 20 CHED C=CC[C@H]1CC[C@H](Nc2ccc(C(=O)O)cc2OCC)C1 1588771457 VKGMSFLJBIKMPY-JSGCOSHPSA-N 289.375 3.940 30 20 CHED CSc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1C(=O)O 1607409730 QXZOFHBWBLBYIT-GHMZBOCLSA-N 290.388 3.601 30 20 CHED Cc1cccc2c1[C@@H](C)/C(=C/c1cc(C(=O)O)co1)C2=O 1607864666 JLKFYOURZZFMFD-IXIHQHOXSA-N 282.295 3.670 30 20 CHED N#Cc1nccnc1NC[C@@H]1CCCC[C@H]1c1ccccc1 1612384581 ILYSBHXXTDDYBI-HOTGVXAUSA-N 292.386 3.734 30 20 CHED C[C@H](Sc1ccc(Cl)cc1C#N)c1ncccn1 1613586855 BNZAWEFVZQMETM-VIFPVBQESA-N 275.764 3.855 30 20 CHED CCOc1ccc(C#N)cc1N[C@H]1CCC12CCC2 1621239493 VXBJXWVHCNCQKQ-HNNXBMFYSA-N 256.349 3.702 30 20 CHED CC1(C)CCC[C@H](CN2CC(Oc3ccc(C#N)cc3)C2)C1 1621380858 GHPZXFSEJCVZNO-INIZCTEOSA-N 298.430 3.838 30 20 CHED CC(C)N(C)C(=O)Nc1scc(C(C)(C)C)c1C#N 1625092147 WQEZZUOLGBAWTM-UHFFFAOYSA-N 279.409 3.789 30 20 CHED C[C@@H](Nc1cccc(C#N)n1)c1ccc2c(c1)CCC2 1639728211 AXZNRBGJJWPNGY-GFCCVEGCSA-N 263.344 3.615 30 20 CHED CC1(c2ccccc2)CCC(Nc2cncc(C#N)n2)CC1 1642427713 VGKNASNILNFBIV-UHFFFAOYSA-N 292.386 3.661 30 20 CHED Cc1cc(SCCc2ccccn2)ccc1C#N 1644028973 AGCUHMNNCACXHN-UHFFFAOYSA-N 254.358 3.597 30 20 CHED Cc1cc(N2CCC=C(c3ccccc3)C2)ncc1C#N 1651835746 OADFAJDWXSBPLE-UHFFFAOYSA-N 275.355 3.555 30 20 CHED CO[C@@H](CNCc1ccc(C#N)c(C)c1)C1CCCCC1 1658354835 SJHOGDAWWNHVDB-SFHVURJKSA-N 286.419 3.552 30 20 CHED C=C(Cl)Cn1c(N(C)CCC(C)C)nnc1C(C)(C)C 1749281819 LRFKNHNHZYNUHN-UHFFFAOYSA-N 298.862 3.810 30 20 CHED Cc1c(NN=Cc2ccc3[nH]ccc3c2)cccc1C(=O)O 1776088266 AQBBKXRYDIAVGN-UHFFFAOYSA-N 293.326 3.621 30 20 CHED CCCc1ccc(C(=O)/C=C/c2ccc(C(=O)O)nc2)cc1 1776113154 ZLZABBMAZBMCCO-YRNVUSSQSA-N 295.338 3.628 30 20 CHED Cc1ccccc1C(=O)/C=C/c1ccc(/C=C\C(=O)O)o1 1777465356 XNXAOIYQCOXKNP-GOOGBFEESA-N 282.295 3.582 30 20 CHED C[C@@H]1CC(=O)c2c(OCc3ccccc3C#N)ccc(F)c21 15396497 HXUZYERRJOWAML-LLVKDONJSA-N 295.313 3.966 30 20 CHED N#Cc1ccc(CNCc2ccc(Cl)cc2)c(F)c1 20210026 FFIODBPXFADXTG-UHFFFAOYSA-N 274.726 3.641 30 20 CHED Cc1ccc(NC(=O)c2cccc(C#N)c2)c2cccnc12 31093797 DLUODRDIPJXFRA-UHFFFAOYSA-N 287.322 3.667 30 20 CHED C[C@@H](NCc1ccc(C#N)cc1)c1cc(F)ccc1F 36921861 GOBIPAXXGAMGPV-LLVKDONJSA-N 272.298 3.687 30 20 CHED N#CCOc1cccc(NCc2c(F)cccc2Cl)c1 37069673 ZYVWYTGUXUPVGI-UHFFFAOYSA-N 290.725 3.994 30 20 CHED C[C@H](N[C@@H]1CCc2ccccc21)c1cccc(C#N)c1 37229999 UMFLNPBJRSVWOP-SCLBCKFNSA-N 262.356 3.896 30 20 CHED C=CCOc1ccccc1C(=O)Nc1ccccc1C 45158263 ZRWCNLYSYUZVNE-UHFFFAOYSA-N 267.328 3.812 30 20 CHED C[C@@H](c1ccc(F)cc1)N(C)CCOc1ccc(C#N)cc1 57974311 HIAYSKSNTRVXOZ-AWEZNQCLSA-N 298.361 3.769 30 20 CHED CCCCCCCC(=O)N(C)c1ccccc1C(=O)OC 59253155 GCDHSZIKOZYBND-UHFFFAOYSA-N 291.391 3.797 30 20 CHED COc1cccc(/C=N/CCSc2ccccc2)c1O 61002252 TVNMQZQHAMHAEO-SFQUDFHCSA-N 287.384 3.612 30 20 CHED CN(C(=O)c1csc2c1CCCC2)c1cccc(C#N)c1 63325309 FIOYDEBCOZJVKO-UHFFFAOYSA-N 296.395 3.775 30 20 CHED C=CCCO[C@H](C)C(=O)NCc1ccc(-c2ccccc2)o1 66318952 RGOPCHNFXMZCIB-CQSZACIVSA-N 299.370 3.544 30 20 CHED CC(C)CCO[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 68753625 KSWSRGWTWJNRNY-LLVKDONJSA-N 294.782 3.601 30 20 CHED N#CCc1cccc(C(=O)N2CCc3ccc(Cl)cc32)c1 69912873 AAMBGBARMMCTTC-UHFFFAOYSA-N 296.757 3.609 30 20 CHED C[C@@H](NCc1ccc2c(c1)CCC2)c1ccc(C#N)cc1 70498529 BEYSIMSLNHNJFZ-CQSZACIVSA-N 276.383 3.898 30 20 CHED C=CCOCCCC(=O)Nc1cc(Cl)ccc1Cl 73848877 GCXQQDGWFFSXOE-UHFFFAOYSA-N 288.174 3.915 30 20 CHED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(F)c1 77380218 KQFPGDRYCQUSCS-UHFFFAOYSA-N 285.322 3.506 30 20 CHED C[C@H](Cc1ccccc1F)C(=O)N(C)c1cccc(C#N)c1 78089425 JGLDUTRVYYBXHZ-CYBMUJFWSA-N 296.345 3.539 30 20 CHED C=C(C)CN(CC)C(=O)[C@@]1(C)CCc2ccccc2C1 79512695 ADZOCVXIWSIFHB-SFHVURJKSA-N 271.404 3.606 30 20 CHED CC[C@H](C(=O)N(C)CCC#N)c1cccc(C(F)(F)F)c1 84181074 IZKQMTUFYQVQBU-ZDUSSCGKSA-N 298.308 3.571 30 20 CHED CC[C@@H](C)C[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 88298962 DNCMXHMZPRECSM-MNOVXSKESA-N 261.325 3.703 30 20 CHED C=CCCOCCN[C@H](C)c1oc2ccccc2c1C 90883707 ZVOUCCWVGIGPMH-CQSZACIVSA-N 273.376 3.985 30 20 CHED N#Cc1csc(CN2CCC(OC3CCCC3)CC2)c1 92759026 XMOOUYQESSZOIY-UHFFFAOYSA-N 290.432 3.543 30 20 CHED C[C@@H]1CCCCN1c1ccc(C#N)cc1C(F)(F)F 97758369 BNMVFPZOEQJNDI-SNVBAGLBSA-N 268.282 3.956 30 20 CHED C=CCN(Cc1ccccc1)C(=O)CC[C@@H]1CCCCO1 110205914 GIPJSNLITJOLMN-KRWDZBQOSA-N 287.403 3.551 30 20 CHED C=CCSCCC(=O)Nc1cccc(Cl)c1 114756977 JDFYYNQIZGIUFX-UHFFFAOYSA-N 255.770 3.588 30 20 CHED N#Cc1c(F)cccc1OCc1cnc2ccccc2c1 115352974 QDGMEYCRQAIFGV-UHFFFAOYSA-N 278.286 3.825 30 20 CHED COc1cccc(/C=N/CCOC2CCCCCC2)c1O 118169789 ZINOZODOJQAHSL-QGOAFFKASA-N 291.391 3.559 30 20 CHED C#Cc1cccc(NC(=O)[C@@H](C)OC2CCCCCC2)c1 119545104 RLRJEBBMWSGICT-CQSZACIVSA-N 285.387 3.734 30 20 CHED C=CCN(Cc1cccc(C#N)c1)Cc1ccc(C#N)s1 120009215 WIQXSORYNKGYMV-UHFFFAOYSA-N 293.395 3.680 30 20 CHED C#CCCCCC(=O)Nc1ccc(Cl)cc1OCC 120273434 VJDQVBLZXPDACD-UHFFFAOYSA-N 279.767 3.871 30 20 CHED CC(C)(C#N)CN[C@@H]1CCc2cc(Br)ccc21 122233841 DNIXHJZRMGDRON-CYBMUJFWSA-N 293.208 3.576 30 20 CHED C[C@@H](C#N)N[C@@H](Cc1ccccc1)c1ccccc1F 122727451 ZJXCWHIDCQFYET-GUYCJALGSA-N 268.335 3.611 30 20 CHED C=CCC[C@H](O)CN(CC)[C@@H](C)c1ccc(F)cc1 123172925 WCZPNZIAHPFHEG-BBRMVZONSA-N 265.372 3.536 30 20 CHED Cc1cccn2c(/C=C/C(=O)c3ccc(F)c(F)c3)cnc12 125303432 QQDVNRHNVYPKEW-FNORWQNLSA-N 298.292 3.817 30 20 CHED C=C(C)COCCNC(=O)[C@@H](c1ccccc1)[C@H](C)CC 126079668 XKORWKKWDVRVAV-NVXWUHKLSA-N 289.419 3.525 30 20 CHED CC(C)(C)CCCNC(=O)CSc1ccc(C#N)cc1 126667722 HETDCFXRFMWCSU-UHFFFAOYSA-N 290.432 3.593 30 20 CHED CC[C@@H](C#N)Sc1nnc2cc(C)c3ccccc3n12 127103906 LDYYPHMFJLRUGF-NSHDSACASA-N 282.372 3.585 30 20 CHED CN1CCc2cc(/C=C/C(=O)c3cccs3)ccc21 130604306 IRGZUQIWLDTMFR-FNORWQNLSA-N 269.369 3.637 30 20 CHED CCCCCCC[S@@](=O)Cc1cn2cccc(C)c2n1 133743680 BVSPOOXEFFLERJ-FQEVSTJZSA-N 292.448 3.862 30 20 CHED CSCC[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N 134833120 BQAOBIFDOTVJFN-MRVPVSSYSA-N 289.326 3.526 30 20 CHED COc1ccc(OCCCC(C)(C)C#N)c(C(C)=O)c1 135472599 ABKLIZZDTILGSR-UHFFFAOYSA-N 275.348 3.607 30 20 CHED CC#CCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 136059743 HRJPXKJBJIWWRC-SNVBAGLBSA-N 299.201 3.719 30 20 CHED Cc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1C 148796207 QQUMULSKZKQDMZ-YHYXMXQVSA-N 252.313 3.905 30 20 CHED CCN(C)c1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 151374012 NSKHAFMKFGBZDL-HNNXBMFYSA-N 293.414 3.865 30 20 CHED CC[C@@H](NCc1cccc(C#N)c1)c1ccc(N(C)C)cc1 151382549 WXEXHGRNDZKSLS-LJQANCHMSA-N 293.414 3.865 30 20 CHED N#Cc1ccc(CNCC2(c3cccc(F)c3)CC2)cc1 152683288 RJMODZZWZJCQJN-UHFFFAOYSA-N 280.346 3.519 30 20 CHED Cc1nc(NC(=O)c2ccc(C#N)c(Cl)c2)sc1C 153745339 DPVWYVJGAYWGGC-UHFFFAOYSA-N 291.763 3.537 30 20 CHED COc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(C#N)cc1 154334200 GMOFOIBXYXWJOQ-FZKQIMNGSA-N 292.382 3.905 30 20 CHED C=CCCNc1ccccc1NC(=O)C[C@@H]1C=CCC1 157180939 JJHBKWGAVXQPHQ-CQSZACIVSA-N 270.376 3.969 30 20 CHED C=C[C@H](C)N[C@@H](C)c1ccc(Br)s1 157229835 FLTDQJRPWFPZEK-YUMQZZPRSA-N 260.200 3.736 30 20 CHED C=CC1CCN(C(=O)c2cc(C)nc3ccccc23)CC1 171882695 ILROIZJVVVOTHW-UHFFFAOYSA-N 280.371 3.581 30 20 CHED COc1ccc(/C=C2/Cc3cc(F)ccc3C2=O)c(OC)c1 172044970 LHVFFCFJTYEKSB-QPEQYQDCSA-N 298.313 3.665 30 20 CHED C#CCNC(=O)N(C1CC1)[C@@H](C)c1ccc2ccccc2c1 173946554 KPMHUXNGSMFELM-AWEZNQCLSA-N 292.382 3.708 30 20 CHED CCCCCCCC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C 177906613 CFQMFEZOSRJJBG-DOTOQJQBSA-N 283.456 3.914 30 20 CHED Cc1ccccc1N/C(N)=N/Cc1c(C)oc2ccccc12 184824697 LLUDZPIFOCHRHM-UHFFFAOYSA-N 293.370 3.976 30 20 CHED CC#CCCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 184896446 VUVGSRWOSDNCBV-UHFFFAOYSA-N 297.320 3.857 30 20 CHED N#C[C@H]1CCC[C@@H](N[C@@H](Cc2ccccc2)C2CC2)C1 185833619 YQQLQFKIQKWAMD-JQHSSLGASA-N 268.404 3.680 30 20 CHED C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1cc(F)ccc1F 188540429 PQLTVZPDARLJHX-ZBEGNZNMSA-N 298.329 3.798 30 20 CHED C=C[C@@](C)(CC)C(=O)NCCc1csc(C(C)(C)C)n1 188557119 RNYOXZUQHUJTAZ-INIZCTEOSA-N 294.464 3.702 30 20 CHED C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CCSCC 188916121 VMIFKUAXBAWPCR-OCCSQVGLSA-N 257.443 3.579 30 20 CHED C[C@@H](c1ccccc1Cl)N(C)Cc1cc(C#N)n(C)c1 191226889 HHSVKXWHYMCFTB-LBPRGKRZSA-N 287.794 3.743 30 20 CHED C=CCC1(C(=O)OCc2nnc(-c3ccccc3)o2)CCC1 192115277 LPKJPZTUYPLABH-UHFFFAOYSA-N 298.342 3.526 30 20 CHED C#CCCCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 192144560 BYIIRERMTNLERO-OAHLLOKOSA-N 292.382 3.729 30 20 CHED Cn1cc(CCN[C@@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc21 193299463 HPTYFIOMTGZTMW-CZUORRHYSA-N 299.393 3.532 30 20 CHED C#CCCCCN[C@@H]1CCc2cc(Br)ccc21 222292192 PQOJLOZNHCVDDA-OAHLLOKOSA-N 292.220 3.830 30 20 CHED C[C@H]1CCCCN1c1ccc(C#N)c(Br)c1 228172923 ZKOYQJNNAVGUMF-JTQLQIEISA-N 279.181 3.700 30 20 CHED CC[C@H](C)[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 249752920 BOSFLTHAFVZTMM-BFHYXJOUSA-N 260.381 3.674 30 20 CHED N#Cc1ccccc1/C=C\c1nc(-c2ccsc2)no1 255556417 SFLJJPLIMZYREA-WAYWQWQTSA-N 279.324 3.840 30 20 CHED CCOc1ccc(O)c(CN[C@H](C)c2ccc(C#N)cc2)c1 263703862 RTJOOXGQWIXTPL-CYBMUJFWSA-N 296.370 3.513 30 20 CHED C=CCCCC(=O)N(CCC#N)c1ccc(C)cc1 267315685 OQPMKSFFMZIIDD-UHFFFAOYSA-N 256.349 3.598 30 20 CHED C#CC[C@H](NC(=O)C(C)=C1CCCC1)c1ccccc1 270504140 QUBGMBOSHJNDLD-KRWDZBQOSA-N 267.372 3.758 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1cccc(F)c1F)OCC 270956221 WLZRMKDYDOGABS-SMDDNHRTSA-N 297.345 3.513 30 20 CHED C=CCCO[C@@H](C)c1nc(CC2CCCCC2)no1 273993208 YXYZLKRVVDSWNU-LBPRGKRZSA-N 264.369 3.846 30 20 CHED C=CCCN(C)C(=O)c1c(Cl)cccc1Cl 276147767 OLLXACDJHNTLSO-UHFFFAOYSA-N 258.148 3.642 30 20 CHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(Cl)cn1 276618552 NUWGOKOXQIEPTE-LLVKDONJSA-N 278.783 3.681 30 20 CHED CC(C)n1ccnc1CSCCC(C)(C)C#N 276634353 QSLJQXIRCDLKKQ-UHFFFAOYSA-N 251.399 3.637 30 20 CHED CC(C)C[C@H](NC(=O)CC(C)(C)C#N)c1ccccc1 278163916 ATGACZUHDVXHGY-HNNXBMFYSA-N 272.392 3.830 30 20 CHED C=CC[C@H]1N(C(=O)CCc2nccs2)CCCC1(C)C 278316905 HNYOQMIFDXTOIW-CYBMUJFWSA-N 292.448 3.669 30 20 CHED CCN(C(=O)CC(C)(C)C#N)[C@@H](C)c1cccc(OC)c1 278547312 NVHFUNHSDJQPRV-ZDUSSCGKSA-N 288.391 3.545 30 20 CHED CCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H](O)c1ccccc1 279725837 VEAYJGBQXIVVIS-BGTYHANMSA-N 286.419 3.561 30 20 CHED CC(C)C1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 280257753 URXNFDLGLOJDNS-UHFFFAOYSA-N 298.430 3.996 30 20 CHED C=CC[C@H](CC)NC1CCN(c2ccccc2)CC1 281427296 CAAWWIDFOORHIN-HNNXBMFYSA-N 258.409 3.600 30 20 CHED C=CCCN(C)C(=O)c1c(-c2ccccc2C)noc1C 281821938 LHQLWLISWHJNDR-UHFFFAOYSA-N 284.359 3.607 30 20 CHED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1cc2ccccc2o1 285055699 QMXQXLVNPGZDNU-MEDUHNTESA-N 270.332 3.550 30 20 CHED C=CCC(C)(C)CNC(=O)N[C@H](CC)c1nc(C)cs1 292684838 FHLCZSMRWBIAOZ-GFCCVEGCSA-N 295.452 3.804 30 20 CHED C=C(C)CCc1noc(-c2oc(C(C)C)nc2C)n1 293139943 WMRDXEXTNNGWBY-UHFFFAOYSA-N 261.325 3.665 30 20 CHED C=CC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 295076671 IGOWVUGWTNQTDV-UKRRQHHQSA-N 257.377 3.603 30 20 CHED C#CCCCCC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 295578123 NAQLSDBGEJRTCK-MRXNPFEDSA-N 291.341 3.652 30 20 CHED C=CCC(C)(C)C(=O)Nc1ncc(C2CCOCC2)s1 295931214 JVYICBLMZOOTAH-UHFFFAOYSA-N 294.420 3.578 30 20 CHED C=CCC(CC=C)c1nc(C2CC(F)(F)C2)no1 296547887 SQPUWJOOBFGJLO-UHFFFAOYSA-N 254.280 3.818 30 20 CHED CCCN(CC(C)C)C(=O)Nc1ccc(CC#N)cc1 299368501 GDZUTLDYETVPFV-UHFFFAOYSA-N 273.380 3.653 30 20 CHED Clc1ccc(C=NN=c2cc[nH]c3ccccc23)cc1 299808180 BWUSWPIYIASFFG-UHFFFAOYSA-N 281.746 3.756 30 20 CHED N#Cc1cc(F)ccc1N1CCC(Nc2ccccc2)CC1 301365414 NNFZUMBFJFAGNV-UHFFFAOYSA-N 295.361 3.778 30 20 CHED CCc1nc(CCNc2ccc(F)cc2C#N)sc1C 301411461 PHYHXIUOAHFTRE-UHFFFAOYSA-N 289.379 3.679 30 20 CHED CCS[C@H]1CC[C@@H](N(C)c2ccc(Cl)c(C#N)n2)C1 301608148 ZVRLIPZBNVANSI-MNOVXSKESA-N 295.839 3.717 30 20 CHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1snc(Cl)c1C#N 301955623 LINZQZUUCVLNRC-WCABBAIRSA-N 281.812 3.826 30 20 CHED C#CCOCCNc1nc(-c2ccccc2Cl)cs1 302119366 DBKMOQNQHCKFAL-UHFFFAOYSA-N 292.791 3.525 30 20 CHED C=CCNC(=O)[C@@H](C)SCc1ccc(C(C)(C)C)cc1 302811414 QHYLHSINHPERSU-CYBMUJFWSA-N 291.460 3.908 30 20 CHED N#Cc1cccc(C#N)c1N1CCC(c2ccsc2)CC1 302907214 XONNETOIPYHFSE-UHFFFAOYSA-N 293.395 3.875 30 20 CHED CC(C)CC[C@@H]1CCC[C@H]1Nc1ncccc1C#N 303233816 YQIMKPLOXRMEKX-DZGCQCFKSA-N 257.381 3.970 30 20 CHED CC1(C)CCCN(Cc2ccc(F)cc2C#N)CC1 303926042 PSLDSLZQJJYDNA-UHFFFAOYSA-N 260.356 3.709 30 20 CHED Cc1ncc(N=C(O)c2coc(C3CCCC3)n2)s1 328781806 HMRHOGXTOYNBOX-UHFFFAOYSA-N 277.349 3.733 30 20 CHED CC1(/N=C(/O)C[C@@H]2CCCC(O)=N2)CCCCC1 329357550 ZXEPDZKVFSIKFR-NSHDSACASA-N 252.358 3.565 30 20 CHED OC(C[C@@H]1CCOC1)=Nc1nc2cc(Cl)ccc2s1 329812141 CZCHMVXISRZMFV-QMMMGPOBSA-N 296.779 3.964 30 20 CHED Cc1cc2c(o1)CC(C)(C)C[C@H]2/N=C(/O)C[C@H]1CCOC1 330190318 WATWQLUVNNQMSY-TZMCWYRMSA-N 291.391 3.985 30 20 CHED CC[C@@H]1CC[C@@H](C(O)=Nc2ccccc2-c2ncc(C)[nH]2)O1 330208066 ASWKXXDSVCVTEO-DOMZBBRYSA-N 299.374 3.931 30 20 CHED CC(C)=CCC/N=C(/O)N[C@H](C)c1cc(C)oc1C 331077020 MAJZCDJMKAPONV-GFCCVEGCSA-N 264.369 3.817 30 20 CHED COc1ccc(F)cc1[C@H](C)/N=C(/O)N[C@@H]1CC[C@@H](C)C1 331235772 TUPRMBUXXDDMNN-NTZNESFSSA-N 294.370 3.588 30 20 CHED Cc1cccc([C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)c1C 333605995 VXVYOTCEOJJCFG-BEFAXECRSA-N 296.414 3.955 30 20 CHED N#C[C@H]1CCC[C@H]1NC(=O)c1occc1-c1ccc(F)cc1 336380857 KWEFXWGJCXFGED-IUODEOHRSA-N 298.317 3.508 30 20 CHED C=CCC(C)(C)c1noc([C@H]2CCCCS2)n1 340792379 DJJZBVIKWRZMCD-SNVBAGLBSA-N 252.383 3.882 30 20 CHED C=CCC(C)(C)c1noc(C2(SC)CCC2)n1 340830389 SATIZCOGMHDGRN-UHFFFAOYSA-N 252.383 3.666 30 20 CHED C=C(CC)CSCc1cc(-c2cnn(C)c2C)no1 342738611 OWTMEEXLIMYKAM-UHFFFAOYSA-N 277.393 3.583 30 20 CHED Cc1cc(N2CCC=C(c3ccccc3)C2)cc(C#N)n1 343150875 BBHVZTRNQLZEJA-UHFFFAOYSA-N 275.355 3.555 30 20 CHED C=C(CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 345856854 PMEJOOLTDDCKIJ-UHFFFAOYSA-N 290.366 3.540 30 20 CHED C=CCCO[C@H](C)C(=O)Nc1c(C)cc(OC)c(C)c1C 345974529 WIVVZHAIVIHNDM-CQSZACIVSA-N 291.391 3.540 30 20 CHED C=CCNC(=O)N[C@@H](CC(C)C)c1ccccc1OCC 347118166 YNNIHDQLCDJKKJ-HNNXBMFYSA-N 290.407 3.658 30 20 CHED N#CCC[C@H](N[C@H]1CC[C@@H]1C1CC1)c1ccccc1 348395887 LLQVDHKQQVFZMS-IKGGRYGDSA-N 254.377 3.810 30 20 CHED C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccco1 348874270 HFUBCBZCVXASPS-UHFFFAOYSA-N 273.380 3.635 30 20 CHED C=C(CNCc1ncc(Cl)s1)c1ccccc1 349561752 BQLWFFDHEAUVKC-UHFFFAOYSA-N 264.781 3.600 30 20 CHED C=CCN(Cc1cccs1)CC1CC(OCC)C1 352096765 JSZUJUBKJWNNKB-UHFFFAOYSA-N 265.422 3.551 30 20 CHED C[C@H]1CCCC[C@@H]1CCNC(=O)NCC(C)(C)CCC#N 353333491 YNGLGAZRLUQEQB-LSDHHAIUSA-N 293.455 3.832 30 20 CHED C=CCN(Cc1ccccc1F)C(=O)c1ccc(O)c(C)c1 353877921 CRZSNAKPGCWEJJ-UHFFFAOYSA-N 299.345 3.668 30 20 CHED C[C@@H](c1ccco1)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 354388089 KFTUNKCUFZZRGA-GOEBONIOSA-N 296.370 3.887 30 20 CHED C=CCCC1(C(=O)NCc2ccc3ccccc3n2)CC1 354581258 WXYCMULTKSJTAC-UHFFFAOYSA-N 280.371 3.597 30 20 CHED C=C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCC=C2 355552087 YVZFUIGPFVHTJQ-QGZVFWFLSA-N 267.372 3.827 30 20 CHED C[C@H]1CC[C@@H](CNCc2cccc(OCCCC#N)c2)C1 355604037 YVCSWONYYBPHKN-DOTOQJQBSA-N 286.419 3.895 30 20 CHED C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1nc(C#N)cs1 356300905 KGVZJGAUAHRUEI-ZFWWWQNUSA-N 297.427 3.783 30 20 CHED C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 357159432 KLOVVEDYNDLPGG-LSDHHAIUSA-N 273.351 3.544 30 20 CHED CC[C@H](CC#N)NCc1c[nH]nc1-c1ccc(Cl)cc1 358276181 IOAORMNRAJEODX-CQSZACIVSA-N 288.782 3.512 30 20 CHED Cc1ccc([C@@H]2CCN(c3ccc(C#N)cn3)C2)c(C)c1 359858344 RVEHLWCSTMSOGV-MRXNPFEDSA-N 277.371 3.564 30 20 CHED Cc1ccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1 361502941 ZXFVVUUZXLWUSU-GOSISDBHSA-N 279.387 3.542 30 20 CHED N#CCCN(Cc1ccsc1Cl)CC1CC1 361568304 WSFJBHVLRTWUBE-UHFFFAOYSA-N 254.786 3.527 30 20 CHED N#Cc1cc(F)ccc1NCc1c(F)cc(F)c(F)c1F 362366203 SXKXZFJYTVNRIP-UHFFFAOYSA-N 298.214 3.866 30 20 CHED C=C[C@H](C)NC(=O)Nc1ccc(-c2csc(C)n2)cc1 362629778 HPZOAPWATDNEJM-JTQLQIEISA-N 287.388 3.815 30 20 CHED CC(C)(C#N)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 371203962 DTPPXVFEHJMHHM-IAGOWNOFSA-N 281.403 3.698 30 20 CHED COc1cccc([C@@H]2C[C@H](C)CN2c2ccc(C#N)cn2)c1 371692978 OGJZAWVMPDFHOF-GUYCJALGSA-N 293.370 3.549 30 20 CHED C=CCCCC(=O)N1CC[C@](F)(c2ccccc2F)C1 374729941 GSVBUJJKZMVWGT-MRXNPFEDSA-N 279.330 3.579 30 20 CHED C#CCC(C)(C)C(=O)N1Cc2ccccc2C2(CCC2)C1 375983354 HCXNLRKLOGKJEL-UHFFFAOYSA-N 281.399 3.500 30 20 CHED C=CCCC[C@@H](C)NCc1cccc(O)c1Cl 398138768 YPDUQFSHXIZPSD-LLVKDONJSA-N 253.773 3.880 30 20 CHED CCCCCCCCCC(=O)N1C[C@H](C)C[C@@H](C(=O)O)C1 398833419 IDWGQJOJVBDBFI-HUUCEWRRSA-N 297.439 3.696 30 20 CHED CC(C)CN(Cc1ccc(C#N)c(F)c1)CC(C)C 404000936 MZHUJIDYIVJFSB-UHFFFAOYSA-N 262.372 3.811 30 20 CHED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1ccccc1C 410127284 LCJIBODOQXZXKZ-LSDHHAIUSA-N 259.393 3.960 30 20 CHED C[C@H](CCC(C)(C)C)NC(=O)c1ncc(C#N)cc1Cl 410489720 AMUHZSZNNXAQLD-SNVBAGLBSA-N 293.798 3.551 30 20 CHED CCC[C@@H]1CCC[C@@H]1C(=O)N(C)c1ccccc1C#N 410571935 DHXOHPMSAYTNBO-HIFRSBDPSA-N 270.376 3.737 30 20 CHED CCC[C@H](C#N)N(C)C(=O)c1cccc(C2CCC2)c1 410835716 OQCYTJAAYGGOQB-MRXNPFEDSA-N 270.376 3.718 30 20 CHED C[C@H]1CCN(CCC2(C#N)CCCCC2)CCS1 411629352 CNMGPSJWAJGSHL-AWEZNQCLSA-N 266.454 3.678 30 20 CHED Cc1csc2ncnc(N(CCC#N)CCC(C)C)c12 413212134 YOLZNKPQEAMIHP-UHFFFAOYSA-N 288.420 3.766 30 20 CHED C=C[C@H](CCC(=O)O)NCc1cccc(Cl)c1Cl 417604544 BZRBBFUEYSCVIQ-SNVBAGLBSA-N 288.174 3.502 30 20 CHED C[C@@]1(Cc2ccc(F)cc2)CCCN1CCCCC#N 420935455 YHYNIJADEYDQGV-KRWDZBQOSA-N 274.383 3.917 30 20 CHED CC(C)c1csc(CNCc2ccc(C#N)c(F)c2)n1 421339478 GKFXFALGSYXECV-UHFFFAOYSA-N 289.379 3.567 30 20 CHED CSc1ccccc1C[C@H](C)N[C@@H]1CC[C@H](C#N)C1 424333618 UQBSDMSECZWLQM-KCQAQPDRSA-N 274.433 3.621 30 20 CHED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 425110362 AUTZCAPRCIUBIB-IKGGRYGDSA-N 299.414 3.577 30 20 CHED C[C@@H](C#N)N(CCCF)Cc1cccc(C(F)(F)F)c1 425539754 UMJSPRXZOLWUHO-NSHDSACASA-N 288.288 3.779 30 20 CHED C[C@@H]1SCCN(CC#Cc2ccc(Cl)cc2)[C@H]1C 427023247 MRRNJOJLUIJDSW-STQMWFEESA-N 279.836 3.517 30 20 CHED C[C@@H]1OCC[C@@H]1Nc1ccc(Oc2ccccc2)c(C#N)c1 428412039 VCMJFKAMSXYEGW-GUYCJALGSA-N 294.354 3.940 30 20 CHED C=CCN1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 428920606 AQFOGMRTUBGLQM-BXUZGUMPSA-N 285.309 3.653 30 20 CHED Cc1c(C#N)cccc1NC(=O)c1ccccc1OC(C)C 432327465 GYTZDHAPPKYEMX-UHFFFAOYSA-N 294.354 3.906 30 20 CHED CC(C)C1CCC(N(C)C(=O)c2cc(C#N)cs2)CC1 432549419 KFIQEGVOKOUPNB-UHFFFAOYSA-N 290.432 3.907 30 20 CHED CC1(C)CCCN(C(=O)c2ccc(Cl)cc2F)[C@@H]1C#N 434021169 IWXDSBDSYKWOJN-CYBMUJFWSA-N 294.757 3.633 30 20 CHED CC[C@@H]1CCC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 435078790 UZQGYHQSGWYTMM-PBHICJAKSA-N 296.414 3.675 30 20 CHED C=CCc1cc(CN(CCC)CC2CC2)cc(OC)c1O 435237296 MSNLVCIRLQSETA-UHFFFAOYSA-N 289.419 3.751 30 20 CHED COc1cc2nc(C)sc2cc1N[C@H]1CC[C@H](C#N)C1 442833252 BQPJXYKPNLJVEN-QWRGUYRKSA-N 287.388 3.718 30 20 CHED C=CC[C@@H](C)N[C@H](CCCOC)c1ccc(F)cc1 442854308 ACUJLBGJRABYEY-CZUORRHYSA-N 265.372 3.848 30 20 CHED N#C[C@@H]1CC[C@@H](NCCCO[C@H]2CCCc3ccccc32)C1 442873260 KBENBUQMOGLCEM-SUMDDJOVSA-N 298.430 3.753 30 20 CHED CCc1c(N[C@@H]2CCC[C@@H](C#N)C2)cnn1CCC(C)C 446976968 KFPLLOBVRFZYPY-HUUCEWRRSA-N 288.439 3.986 30 20 CHED CC(C)[C@H]1C[C@@H](Nc2cnc(C#N)cn2)c2ccccc21 447801904 FOUCWDKQJDCPOW-HZPDHXFCSA-N 278.359 3.645 30 20 CHED C=CCCCC[C@@H](C)N[C@H](C)c1n[nH]c(C(C)C)n1 449207926 RTPZGCTVTIMCMG-CHWSQXEVSA-N 264.417 3.714 30 20 CHED C=CCC1(C(=O)N2CCC[C@H](OCC3CC3)C2)CCCC1 450777530 KAQHBICKPHZXPH-INIZCTEOSA-N 291.435 3.541 30 20 CHED C=C(CNC(=O)c1ccc(C2CC2)nc1C)c1ccccc1 451757231 NSWMIOLZGTZACT-UHFFFAOYSA-N 292.382 3.711 30 20 CHED CC(C)(C)C(C)(C)CNC(=O)[C@]1(C#N)CC12CCCC2 452158707 INVZCAIEFPZGSQ-QGZVFWFLSA-N 276.424 3.649 30 20 CHED C=C(C)CCNC(=O)C1(Cc2cccc(F)c2)CCC1 452715581 DSFLRPXVRYPXNR-UHFFFAOYSA-N 275.367 3.621 30 20 CHED Cc1cc(C#N)cc(NCc2ncc(C(C)(C)C)o2)c1 453154259 ZQDVOUKAZVLQBX-UHFFFAOYSA-N 269.348 3.764 30 20 CHED C=CCC[C@H](CCC)N1CCC[C@@]2(CCOC2)C1 453361651 KVXARWUOLKPXOG-JKSUJKDBSA-N 251.414 3.624 30 20 CHED CC[C@@H]1CCC[C@H]1CNC(=O)N(C)Cc1cccc(C#N)c1 455282469 NVOBGAWZWYTNHQ-SJORKVTESA-N 299.418 3.526 30 20 CHED C=C(C)CCNC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 455311902 ONVWJFXYRVUOMF-GDBMZVCRSA-N 272.392 3.540 30 20 CHED C=C(CC)CNC(=O)N(C)Cc1c(F)cccc1Cl 455562178 RQHQJBXHGYVIJL-UHFFFAOYSA-N 284.762 3.587 30 20 CHED C=CC(C)(C)CNC(=O)c1ccc(Cl)c(N)c1Cl 456112908 FFBNWVONVYDNPZ-UHFFFAOYSA-N 287.190 3.518 30 20 CHED C=CCCOCCCCC(=O)NC1(CC)CCCCC1 456211182 BCWRABSLSGUVCB-UHFFFAOYSA-N 281.440 3.979 30 20 CHED CC(C)[C@@H]1N(C(=O)CC(C)(C)C#N)CC12CCCCC2 458186548 LCMMKJRMAOUCLF-HNNXBMFYSA-N 276.424 3.744 30 20 CHED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H]1C(C)C 460563909 KVSQMLCCRACTAC-HUUCEWRRSA-N 290.455 3.993 30 20 CHED C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H](C)CCC 463581278 FCHNGZMSDNQESH-ZDUSSCGKSA-N 291.391 3.521 30 20 CHED C=CCC(CC=C)C(=O)NC[C@H]1CCO[C@H]1c1ccccc1 467359311 RQXZNWKMGIJHHP-MSOLQXFVSA-N 299.414 3.649 30 20 CHED CC(C)[C@@H](C#N)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 470147608 GAFJWHGASXXRNM-HZSPNIEDSA-N 264.413 3.503 30 20 CHED C=CCCCCNC(=O)c1csc(-c2ccc(C)o2)n1 471690885 AJBLQZAGQDKOHE-UHFFFAOYSA-N 290.388 3.798 30 20 CHED C=C(C)COc1cccc(NC(=O)NC2CC(C)C2)c1 473614929 CPTQJBBLLCLQBE-UHFFFAOYSA-N 274.364 3.562 30 20 CHED C=CCCCCNC(=O)Nc1cccc(OCC=C)c1 473677727 QBTNDZMVKOZWNY-UHFFFAOYSA-N 274.364 3.729 30 20 CHED C=CCCCCNC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 474090740 SSRXIDOTBXINPX-ZIAGYGMSSA-N 266.429 3.951 30 20 CHED CCCC[C@H](CC)CC(=O)N(CCC#N)CC(F)(F)F 482661950 XKXYLGXWSREDPK-LBPRGKRZSA-N 292.345 3.897 30 20 CHED Cc1cc(CN(C)Cc2ccc(F)c(F)c2)ccc1C#N 486805742 YEYRGKOYJGFURK-UHFFFAOYSA-N 286.325 3.777 30 20 CHED C=C[C@H]1CCCCN1C(=O)[C@@H]1SCCc2sccc21 488880391 QOVSAZDNBWUEGF-SMDDNHRTSA-N 293.457 3.646 30 20 CHED C=CCC(C)(C)CNC(=O)c1ccc(COC(C)C)cc1 490002957 HCGDHPYKCCRMJS-UHFFFAOYSA-N 289.419 3.944 30 20 CHED CCCC[C@H](CC)C(=O)N(CC#N)c1ccccc1 497910172 ZSLPCVGLLKXPPY-AWEZNQCLSA-N 258.365 3.760 30 20 CHED C=CCSCCNC(=O)N1CCCC[C@H]1[C@H](C)CC 509185610 PGKPXPDLEVUVPZ-KGLIPLIRSA-N 284.469 3.516 30 20 CHED Cc1ccc(-c2ccc(CN(C)C[C@H](C)C#N)o2)cc1 509768469 XAEBTVDHSUNZLT-CQSZACIVSA-N 268.360 3.847 30 20 CHED C=CCn1c(SCCc2cccnc2)nc2ccccc21 509955038 WLNQLRUHTBPOLS-UHFFFAOYSA-N 295.411 3.952 30 20 CHED CC(C)(CC#N)CSc1nc2cc(Cl)cnc2[nH]1 515673358 WBWYLOITHAOGAF-UHFFFAOYSA-N 280.784 3.643 30 20 CHED C=C(C)CCN[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC 518740725 OFIOOZOMYBQXIC-RCCFBDPRSA-N 273.420 3.894 30 20 CHED C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccccc1C#N 522468425 CKQKQAYNAVXWNU-KXBFYZLASA-N 276.383 3.936 30 20 CHED C=CCOCCCSc1nnc(-c2ccc(F)cc2)o1 530282791 NYOICOCICAKZEU-UHFFFAOYSA-N 294.351 3.561 30 20 CHED CC[C@H](Cc1ccccc1)NCc1ccc(C#N)cc1F 533446356 WGUFZQKPPODEGA-QGZVFWFLSA-N 282.362 3.808 30 20 CHED C[C@@H](NCc1cc(F)ccc1F)c1ccc(C#N)c(F)c1 537405335 DXTQTTCVHGPFKW-SNVBAGLBSA-N 290.288 3.826 30 20 CHED C=CC[C@@H](CC)NC(=O)NC[C@@H](C)c1ccc(F)cc1 538610723 QIIUUMKFJOPMMQ-IUODEOHRSA-N 278.371 3.583 30 20 CHED C=C(CC)CSCC(=O)Nc1ccc(C)cc1F 539095266 UNCOYXBVHSBHGI-UHFFFAOYSA-N 267.369 3.772 30 20 CHED C=CCCC[C@H](C)NC(=O)N1CC[C@](C)(CC)C1 540488666 XBQZFCSOWNEHDQ-ZFWWWQNUSA-N 252.402 3.563 30 20 CHED CC#CCCNC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 541747068 YQZJJSBGRPCELU-IRXDYDNUSA-N 293.451 3.672 30 20 CHED CC(C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 541901318 WURDWWIPERLMQQ-WDEREUQCSA-N 297.185 3.515 30 20 CHED Cc1ccnc(NCCc2ccc(F)cc2Cl)c1C#N 542281280 CCKQCAYTVROZJX-UHFFFAOYSA-N 289.741 3.709 30 20 CHED Cc1c(C#N)cccc1N[C@@H](C)Cc1ccsc1 543114545 LYFZLXYGGLSILG-NSHDSACASA-N 256.374 3.971 30 20 CHED C=CCN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 556950917 ACMINJKFWYSWNX-CWRNSKLLSA-N 261.409 3.770 30 20 CHED C=CCC[C@@H](C(=O)NCC(C)(C)COC)c1ccccc1 557717656 BVBCYWSDNCLMEL-MRXNPFEDSA-N 289.419 3.525 30 20 CHED CC[C@H](C)Oc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 559877989 NVIQNBNJVRDBCG-GZBFAFLISA-N 258.365 3.968 30 20 CHED C=CCC(C)(C)c1noc(-c2ccc(N(C)C)cc2F)n1 560030026 YJHWGJLPXCDGKJ-UHFFFAOYSA-N 289.354 3.795 30 20 CHED C=CCC(C)(C)C(=O)N=c1cc(C)n(C2CCCCC2)[nH]1 560846766 ITFLAPGFYFWTGW-UHFFFAOYSA-N 289.423 3.659 30 20 CHED Cc1occc1-c1nnc(SCC(C)(C)CC#N)o1 569021191 PNWOGHMLQPUPDZ-UHFFFAOYSA-N 277.349 3.670 30 20 CHED C[C@H](N=c1cc[nH]c(C#N)c1)c1cccc(Cl)c1Cl 569394404 VHRIQRLVLJSAPM-VIFPVBQESA-N 292.169 3.855 30 20 CHED C[C@@H](Cc1ccsc1)N1CCCC(C)(C)[C@H]1C#N 570664836 CDYXSAFHCMVDGX-GXTWGEPZSA-N 262.422 3.693 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)CC[C@@H](C)CC)cc1 572077134 UESVFNTVMLZKCU-XJKSGUPXSA-N 272.392 3.756 30 20 CHED C=C(C)[C@@H](CC(=O)N(C)c1cc(Cl)ccc1C)OCC 573589443 GMLNQRPPNMMODM-OAHLLOKOSA-N 295.810 3.983 30 20 CHED COc1cc(CN[C@@H](C)Cc2ccccc2C)ccc1C#N 576744809 CFFAJRMLJANOSO-HNNXBMFYSA-N 294.398 3.596 30 20 CHED C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCSC1 577111478 PJSMVRPNRWQAHB-HNNXBMFYSA-N 281.465 3.725 30 20 CHED N#C[C@@H](Sc1nnnn1C1CCCCC1)c1ccccc1 579496035 VJSFIKDHIDXHHA-CQSZACIVSA-N 299.403 3.535 30 20 CHED CN(C/C=C/c1ccc(Cl)cc1)CC(C)(C)C#N 583950828 ZBIVTAKBQAURFF-SNAWJCMRSA-N 262.784 3.835 30 20 CHED CC[C@@H]1Cc2ccccc2CN1C(=O)CCCCCC#N 588684499 CQUVRWLHSRFWRZ-QGZVFWFLSA-N 284.403 3.824 30 20 CHED CCc1ccc([C@@H](C#N)NC(=O)c2cc(C)ccc2F)cc1 589075381 ZTNAHBZWWZDADC-QGZVFWFLSA-N 296.345 3.691 30 20 CHED CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1OC 590989056 GPDMOXIMBFGKDS-UONOGXRCSA-N 286.375 3.722 30 20 CHED CCCN(Cc1ccc(OC)cc1)c1ncc(C#N)cc1F 591141724 LWJQJEZZTAHPNN-UHFFFAOYSA-N 299.349 3.518 30 20 CHED COc1ccc(-c2c(C)noc2C)cc1C1(C#N)CC1 592987540 WHLJAWNBWLMPJD-UHFFFAOYSA-N 268.316 3.522 30 20 CHED C[C@@H]1CN(CCCCC#N)CCc2ccc(Cl)cc21 593068222 ZLVLOKOEJQIHCL-CYBMUJFWSA-N 276.811 3.995 30 20 CHED CCC(CC)[C@H](NC(=O)[C@@H](C#N)CC)c1cccs1 593417536 VIYCSRAWBMZLOZ-OCCSQVGLSA-N 278.421 3.891 30 20 CHED Cc1oc(C#N)cc1C(=O)Nc1ccccc1NC1CCC1 593811926 HOMPSEOVNYIAIC-UHFFFAOYSA-N 295.342 3.676 30 20 CHED CCc1nnc(S[C@H](C#N)Cc2ccc(C)cc2)s1 594916026 MWHITSBBUSRUEG-LBPRGKRZSA-N 289.429 3.636 30 20 CHED CCCC[C@H](CCC)CNC(=O)N1CCC[C@H](CC#N)C1 595553503 IZUMMXWQCXDGKI-JKSUJKDBSA-N 293.455 3.928 30 20 CHED N#CC[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 595611326 JEYDZDKDONYODS-AWEZNQCLSA-N 297.427 3.936 30 20 CHED C[C@H](C#N)N(CCSc1cccc(Cl)c1)C1CC1 595708897 CIALSIDCRYEIJT-LLVKDONJSA-N 280.824 3.809 30 20 CHED CC1C[C@@H]2CC[C@H](C1)N2[C@@H](C)c1cccc(C#N)c1 595858488 WCDZTRLABVHZCS-IFWAZGHOSA-N 254.377 3.882 30 20 CHED CCCOc1cncc(-c2ccc(CC#N)c(C)c2)c1 596638641 YLCIJAZHHNENFX-UHFFFAOYSA-N 266.344 3.912 30 20 CHED C[C@H](C#N)N(C(=O)CCCCCc1cccs1)C1CC1 598129027 RNFRQCKLIRPQJS-CYBMUJFWSA-N 290.432 3.754 30 20 CHED CCC(CC)C(=O)N(c1ccc(C#N)cc1)C1CCC1 598887436 YGBCVYWTPUSHRH-UHFFFAOYSA-N 270.376 3.880 30 20 CHED Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@](C)(C#N)CC(C)C)c1 599233263 PUUKZLDMIRIIMT-JZXOWHBKSA-N 284.403 3.543 30 20 CHED CCC(C#N)(CC)C(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C 602306402 DAFSKMCHQWBKRK-GHMZBOCLSA-N 290.329 3.506 30 20 CHED Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H](C)C1CCCC1 602387924 TVEJDTWBIDHTBT-ZDUSSCGKSA-N 288.366 3.817 30 20 CHED Cc1ccc(-c2nc(CCNC[C@@H](C)CCC#N)co2)cc1 602527155 LRGIOBKGWNAZCZ-HNNXBMFYSA-N 297.402 3.722 30 20 CHED C[C@@H](CCC#N)CNC1CCN([C@H](C)c2ccccc2)CC1 602553879 XNADGYBTCAQNPL-DLBZAZTESA-N 299.462 3.741 30 20 CHED Cc1ccc(CNC[C@@H](C)CCC#N)c(OCC2CC2)c1 602573917 NYASZOURXOEJSP-HNNXBMFYSA-N 286.419 3.813 30 20 CHED C=CCCO[C@@H](C)C(=O)N1CCCc2cccc(CC)c21 605464764 FHENRXNPKFYVBA-AWEZNQCLSA-N 287.403 3.509 30 20 CHED CCC[C@@H](C#N)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 609129467 UVTWUQXLAGTGNF-QWHCGFSZSA-N 298.308 3.531 30 20 CHED CC(C)(C)CN(CCC#N)C(=O)CCc1ccccc1F 609191588 SGPATNLACUIJDY-UHFFFAOYSA-N 290.382 3.547 30 20 CHED C[C@@H]1c2c(F)cccc2CCN1Cc1ccccc1C#N 610004540 OXKNHLWPXSEVQR-CYBMUJFWSA-N 280.346 3.817 30 20 CHED C=CCCCCCN(C)Cc1ccc(C(=O)OC)cc1 610079897 KYWNJGZNNGOIGU-UHFFFAOYSA-N 275.392 3.651 30 20 CHED CC1(C)CCN(c2c(C#N)cnc3c(F)ccc(F)c23)C1 610282700 VFVILGRVIGQLCZ-UHFFFAOYSA-N 287.313 3.621 30 20 CHED N#Cc1ccc(NCCc2c[nH]c3cc(Cl)ccc23)cn1 610541631 WYRDBXLPJDEDNX-UHFFFAOYSA-N 296.761 3.743 30 20 CHED CCN(CC1CC1)C(=O)c1c(Cl)cc(C#N)cc1Cl 613545041 BFYKYLNWOPDCCS-UHFFFAOYSA-N 297.185 3.737 30 20 CHED CCCCCOc1ccc(CN2CC[C@](F)(C#N)C2)cc1 615651436 JPHNIJOFQSACDC-KRWDZBQOSA-N 290.382 3.693 30 20 CHED C=CC[C@H]1CCCN(C(=O)c2ccc(OC)cc2Cl)C1 617783792 HCTXFZQIFMEMLB-LBPRGKRZSA-N 293.794 3.777 30 20 CHED C=CC[C@@H]1CCCN(C(=O)c2sccc2SC)C1 617783845 IFCLBVSYAVJQGC-LLVKDONJSA-N 281.446 3.898 30 20 CHED C=CC[C@@H]1CCCN(C(=O)COc2ccccc2Cl)C1 617789496 KXRTZQZQLGJXDJ-CYBMUJFWSA-N 293.794 3.534 30 20 CHED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncc(Cl)cc1F 618693989 WGZUNECUHVCUEE-AWEZNQCLSA-N 287.725 3.845 30 20 CHED C=CCC1(NC(=O)C[C@@H](C)c2c(C)noc2C)CCCC1 619108075 OQTPIMXSAKEGED-GFCCVEGCSA-N 290.407 3.790 30 20 CHED N#Cc1ccc2c(c1)CCC[C@@H]2NCC1(C(F)F)CC1 619465950 MHZAPJMWFUVDID-AWEZNQCLSA-N 276.330 3.571 30 20 CHED CCC(C)(C)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 619593926 OFOTYXGAQSKWNY-HNNXBMFYSA-N 287.407 3.861 30 20 CHED C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccsc1 619763157 QVLNZVZJYQCJCI-GFCCVEGCSA-N 299.399 3.522 30 20 CHED C=CCN(Cc1ccc(Cl)s1)Cc1nccnc1C 621709808 FXQBJTZUKIYVPU-UHFFFAOYSA-N 293.823 3.688 30 20 CHED C=CCNC(=O)c1cc(Br)c2ccccc2c1 644935400 YCJTVBWUQZEJBB-UHFFFAOYSA-N 290.160 3.518 30 20 CHED C=CC[C@H](CO)CN[C@@H](CC(C)C)c1ccc(OC)cc1 647295960 ZMUHPHJKIOHJMP-YJBOKZPZSA-N 291.435 3.557 30 20 CHED C=CC[C@H]1CCCC[C@@H]1NCC1CCN(C2CC2)CC1 657993893 MQPIVQNESBBXEQ-WMZOPIPTSA-N 276.468 3.585 30 20 CHED C=CC[C@H]1CCCN(C(=O)NCc2cccc3cc[nH]c23)C1 664728877 SEEKMADFMJVLNQ-AWEZNQCLSA-N 297.402 3.666 30 20 CHED C=C[C@@](C)(CC)C(=O)N1CCS[C@@H](c2ccccc2)C1 682380807 MFNIVJMFTKCTEH-WBVHZDCISA-N 289.444 3.905 30 20 CHED C[C@H](CCC#N)CN1CCC[C@@H]1CC(=O)c1ccccc1 683889842 QMJUUCZOLYXIRE-NVXWUHKLSA-N 284.403 3.664 30 20 CHED C=CCSc1nc2ccccc2n1CN1CC[C@@H](C)C1 725778163 ASWUIZLUFRNOAW-CYBMUJFWSA-N 287.432 3.614 30 20 CHED C=CCCC(=O)OCc1cn2cc(Cl)cc(Cl)c2n1 726652242 AVPSLVGYEJSXAI-UHFFFAOYSA-N 299.157 3.651 30 20 CHED Cc1ccc(C(C)(C)C(=O)Oc2ccc(C#N)cc2)cc1 728452118 ZWUNUSZHNVHOLX-UHFFFAOYSA-N 279.339 3.750 30 20 CHED Fc1cccc(F)c1C=NNCCCc1ccccc1 729145721 BHAUWUNPGZGFQT-UHFFFAOYSA-N 274.314 3.521 30 20 CHED CCCCSCC(=O)Nc1cc(C#N)cn1C(C)(C)C 730937145 WQSVFLBKAWSYHX-UHFFFAOYSA-N 293.436 3.587 30 20 CHED C#CCOc1cccc(NC(=O)CCCC(C)(C)C)c1 730978632 YGROOYITYRNQQW-UHFFFAOYSA-N 273.376 3.854 30 20 CHED CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1C 731313101 WNVNBWMEKMRVED-UHFFFAOYSA-N 287.294 3.878 30 20 CHED CCN(CC(F)(F)C(F)F)[C@H](C)c1ccc(C#N)cc1 733898128 XKJCBXUWQBBFAR-SNVBAGLBSA-N 288.288 3.842 30 20 CHED C=CCCCOC(=O)c1cc(C)n(-c2nccs2)c1C 735526400 ASJGZIQASGWWPZ-UHFFFAOYSA-N 290.388 3.674 30 20 CHED N#Cc1ccccc1OCCOC(=O)/C=C/C1CCCCC1 735561907 KCMYBWVNRIVPDU-ZHACJKMWSA-N 299.370 3.617 30 20 CHED CCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 735793651 WXLBJAQREKLOTQ-DGCLKSJQSA-N 283.375 3.874 30 20 CHED C=C(Cl)CNC(=O)N[C@H](C)CCC1CCCCC1 736397911 KYNYANDZNGJUGA-GFCCVEGCSA-N 272.820 3.787 30 20 CHED COc1cc(C)ccc1C(=O)/C=C/c1cnc2ccccn12 740765206 SDXQJLSLMDNMMO-VQHVLOKHSA-N 292.338 3.547 30 20 CHED CCCCCCCN(C)[C@H](CO)c1ccc(OC)cc1 740877726 XXSGIJCOXFWURI-QGZVFWFLSA-N 279.424 3.631 30 20 CHED N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 741995388 BEOUFFPIPRSASD-QTOPMEQZSA-N 294.398 3.656 30 20 CHED Cc1ccc(/C=C2\Oc3ccccc3C2=O)cc1C 742435409 ANYBNKZLEBFTDA-YBEGLDIGSA-N 250.297 3.920 30 20 CHED CCCCCC[C@@H](C)NN=Cc1csc(C)n1 743449964 DHJACYLMLSPVBC-LLVKDONJSA-N 253.415 3.734 30 20 CHED N#C[C@H](C(=O)CC1CCC1)c1ccc2ccccc2n1 744015479 SLKSIBOATYTBOR-AWEZNQCLSA-N 264.328 3.601 30 20 CHED CCC[C@H]1[C@@H](C)CCCN1Cc1ccc(OCC#N)cc1 744414255 LAFACXLUQHEBRL-YJBOKZPZSA-N 286.419 3.990 30 20 CHED N#Cc1cccc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)c1 746349217 UFXAVNYGOUOFRG-KTKRTIGZSA-N 299.333 3.640 30 20 CHED CC(=NNc1ccc(Cl)c(F)c1)c1cnc(C)nc1C 747636131 FAVDPTTUMGKYBE-UHFFFAOYSA-N 292.745 3.722 30 20 CHED COCCON=C(C)c1cc(F)c(Cl)cc1Cl 748792320 YJJBJMFBGOAWLM-UHFFFAOYSA-N 280.126 3.520 30 20 CHED O=C1/C(=C\c2ccc3ncccc3c2)Oc2ccc(F)cc21 749745932 HNRSJZVPZATKCF-RQZCQDPDSA-N 291.281 3.990 30 20 CHED Cc1sc(NC(=O)/C=C2/CC[C@H](C)C2)c(C#N)c1C 753623547 PURBCOCTSGDJIG-PPLKPFPSSA-N 274.389 3.922 30 20 CHED N#Cc1cc(C(=O)Oc2ccccc2F)ccc1Cl 753994420 IONGYECNZDFUHJ-UHFFFAOYSA-N 275.666 3.570 30 20 CHED C#C[C@@H](CC)NC(=O)Cc1cc2c(ccc3ccccc32)o1 754374622 ZTHABXKUHSDCFT-AWEZNQCLSA-N 291.350 3.657 30 20 CHED Cc1cc(C=NO[C@H]2CCCCO2)c(C)n1CC(C)C 755823756 ZVGNAQJRKXETDP-INIZCTEOSA-N 278.396 3.638 30 20 CHED CCCCCCCCNC(=O)N1CC=C(C)CC1 756736854 IVZYFTVTQVLMCT-UHFFFAOYSA-N 252.402 3.709 30 20 CHED C#CC[C@H](Nc1nc(-c2ccccc2)no1)c1ccccc1 756957585 WFQPKVAIHJASLY-INIZCTEOSA-N 289.338 3.913 30 20 CHED C#CC[C@H](NC(=O)N[C@H](C)C[C@H](C)CC)c1ccccc1 757034874 LIRMPIULBJQIOQ-INMHGKMJSA-N 286.419 3.875 30 20 CHED C#CC[C@H](NC(=O)c1cc(C)sc1C)c1ccccc1 757581189 WDCKWVUWTLVDGT-INIZCTEOSA-N 283.396 3.859 30 20 CHED Clc1ccc(Cl)c(C=NNC2CC2)c1Cl 758127299 NSRKFPWUEVJIKL-UHFFFAOYSA-N 263.555 3.733 30 20 CHED CC[C@H]1CCCC1=NNc1cc([N+](=O)[O-])ccc1C 758375322 QNIZUWXFERAOOV-NSHDSACASA-N 261.325 3.881 30 20 CHED C#CCCCCNC(=O)/C(C)=C\c1cccc(Cl)c1 759362160 VVBCFOAHVRZGIM-QBFSEMIESA-N 275.779 3.663 30 20 CHED CC#CCCOC(=O)COc1ccccc1[C@H](C)CC 760273652 KYVNZEAQZYBGQI-CQSZACIVSA-N 274.360 3.536 30 20 CHED CC#CCCOC(=O)C(c1ccccc1)c1ccccc1 760281970 HCIWHUDWXQRYGJ-UHFFFAOYSA-N 278.351 3.775 30 20 CHED C#Cc1cccc(NC(=S)NC2CCC(F)(F)CC2)c1 761186945 IPSJUMKJFCGUES-UHFFFAOYSA-N 294.370 3.532 30 20 CHED C=CCOc1ccc(COC(=O)[C@H](C)c2ccco2)cc1 763640137 BKACBTPNQYLQCO-CYBMUJFWSA-N 286.327 3.691 30 20 CHED C=CCN(Cc1ccc(OC)c(Cl)c1)C(C)C 764206071 YTXBSSBHTLTBCB-UHFFFAOYSA-N 253.773 3.745 30 20 CHED CS/C=C\C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 764223106 PMQFDISTNQVSOE-SSJHQANKSA-N 292.429 3.560 30 20 CHED CCc1cnccc1C(=O)/C=C/c1ccccc1C 766772249 OKGZXWASYVHZLT-CMDGGOBGSA-N 251.329 3.849 30 20 CHED C#C[C@H](C)N(C)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 767263532 UMKIUNOSOLBKKE-CABCVRRESA-N 271.404 3.784 30 20 CHED COc1cccc(O)c1/C=N/[C@H]1CCCc2sccc21 767340125 ZPFRGCCBFPPZKG-VZWMTCDZSA-N 287.384 3.959 30 20 CHED CC#CCCCC(=O)OCc1cc(-c2cccs2)on1 767666690 VPYNSXUUYMPMLW-UHFFFAOYSA-N 289.356 3.640 30 20 CHED N#CC1(COC(=O)c2ccc(-c3ccco3)s2)CCC1 768085405 BADMPILWIVGPJN-UHFFFAOYSA-N 287.340 3.859 30 20 CHED CCCCCCCCNC(=O)N1CCCC[C@H](COC)C1 768413401 RKHHPXLDNXRXJT-INIZCTEOSA-N 298.471 3.805 30 20 CHED CCC[C@H](C=NNc1ncc(F)cn1)c1ccccc1 769589903 OZGKTGCTLLMMOR-CYBMUJFWSA-N 272.327 3.597 30 20 CHED O=C1/C(=C/c2cscc2Cl)CCc2nc(O)ccc21 769608642 DXXDOUITXAPQCR-VMPITWQZSA-N 291.759 3.715 30 20 CHED Cc1cc(C(=O)/C=C/c2ccc(F)c(C#N)c2)ccc1O 770574311 WUBXSCCWTSXEQK-ZZXKWVIFSA-N 281.286 3.608 30 20 CHED CC(C)[C@]1(C)C[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 774144630 KLLZUFIJQKHUOF-NUTKFTJISA-N 271.360 3.845 30 20 CHED C#CC[C@H](NCc1cccc(C#N)c1F)c1ccccc1 775399392 GHHQVZCICVCDBY-KRWDZBQOSA-N 278.330 3.552 30 20 CHED N#CCc1ccc(COC(=O)c2ccc3c(c2)CCC3)cc1 776109814 CGULMYBSZWHGRI-UHFFFAOYSA-N 291.350 3.598 30 20 CHED COc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CC[C@H](C)C1 776291339 KQGRWLADKKTXNS-ONGXEEELSA-N 293.750 3.562 30 20 CHED N#CCc1ccccc1CC(=O)NC1CCCCCCC1 776734245 QHFHLXQQZNFFJS-UHFFFAOYSA-N 284.403 3.524 30 20 CHED CCCCC[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccccc1 776966944 QPPWMPVAFPFDQB-KRWDZBQOSA-N 295.386 3.938 30 20 CHED COc1ccc2c(c1)C(=NOCCC(F)(F)F)CCC2 777462499 CPJWUFSATLXCEA-UHFFFAOYSA-N 287.281 3.705 30 20 CHED C#CCCCCCC(=O)N(C)[C@@H](C)CCSCC 779969530 JALBOMBFBZAMLG-AWEZNQCLSA-N 269.454 3.560 30 20 CHED Cc1cc(C)cc(C(=O)OCCCC(C)(C)C#N)c1 782022405 SQNGHBFIQUFGNM-UHFFFAOYSA-N 259.349 3.790 30 20 CHED O=C1/C(=C\c2scnc2C2CC2)Cc2c(O)cccc21 782324244 YARIUCQTIFVWKE-YFHOEESVSA-N 283.352 3.549 30 20 CHED CC(C)(C)CCNN=Cc1csc(-c2ccccn2)n1 782903569 XVMXJZOCABYVHK-UHFFFAOYSA-N 288.420 3.565 30 20 CHED CC(C)(C)C1CCC(C=Nn2ccccc2=O)CC1 783859047 HICAQIQWADPWFN-UHFFFAOYSA-N 260.381 3.535 30 20 CHED CCc1ccccc1CC(=O)OCCCC(C)(C)C#N 784878425 GYPBFXSHCJYRGP-UHFFFAOYSA-N 273.376 3.665 30 20 CHED N#Cc1ccc(CNCc2cnc(-c3ccco3)s2)cc1 785426129 AJVPNLFSNXUTAI-UHFFFAOYSA-N 295.367 3.565 30 20 CHED C=CCCN(C)Cn1nc(-c2sccc2C)oc1=S 786101485 LBOUTDCRIGOWBO-UHFFFAOYSA-N 295.433 3.708 30 20 CHED COc1cc(NN=Cc2ccc(C)o2)ccc1Cl 788468188 RCLPBAUYJXMROS-UHFFFAOYSA-N 264.712 3.696 30 20 CHED Cc1cc(C(=O)/C=C/c2c(Cl)cccc2Cl)n(C)n1 789157185 WTLSXPAQZKRJSF-VOTSOKGWSA-N 295.169 3.931 30 20 CHED Cc1ccc(OC(=O)c2ccc(F)c(C#N)c2)cc1C 790097531 IYNHZDPEPRZFOZ-UHFFFAOYSA-N 269.275 3.533 30 20 CHED C#C[C@@H](CCC)NC(=O)CCc1ccc(C(C)C)cc1 791213563 PRZRNUHLZQHXCI-KRWDZBQOSA-N 271.404 3.661 30 20 CHED CC[C@H](C)CC(=O)OCc1ccc(Cl)cc1C#N 791506026 WOAGBGHWJAWQSP-JTQLQIEISA-N 265.740 3.691 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](C)C1CCOCC1 793532535 MKJUIPGXUOWVEY-CABCVRRESA-N 253.430 3.916 30 20 CHED C=CCCCCC[C@@H](C)N[C@H]1CC[C@@H](CO)CC1 793536872 YJEFJGLNEPTJQO-OAGGEKHMSA-N 253.430 3.652 30 20 CHED CC(=NN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cc(C)on1 794541275 KSMJCSQWYXXSRD-IVMMDQJWSA-N 275.396 3.511 30 20 CHED Cc1cc(OC(=O)c2ccc(C#N)o2)cc(C)c1Cl 796731103 FWQHPNWEEBGBFW-UHFFFAOYSA-N 275.691 3.641 30 20 CHED C[C@@H](NC[C@H]1CCC(F)(F)C1)c1ccc(OCC#N)cc1 797585646 KKKVEQQCIDNPGF-OLZOCXBDSA-N 294.345 3.675 30 20 CHED Cc1nn(C(C)C)cc1/C=C1\Oc2ccc(F)cc2C1=O 798370218 GLSPZOQJZGVJEY-UUASQNMZSA-N 286.306 3.528 30 20 CHED Cc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1C#N 799296434 DUVJJAFMKIIQDF-UHFFFAOYSA-N 298.773 3.792 30 20 CHED C=C(CC)COC(=O)c1ccc(Oc2ccccc2)cn1 799551570 MBICYSLRYCGRTL-UHFFFAOYSA-N 283.327 3.997 30 20 CHED COc1cccc(OC)c1/C=C/C(=O)c1cc(C)c(C)o1 799896730 YFMMIWGGHBOSLU-CMDGGOBGSA-N 286.327 3.810 30 20 CHED CN(CCCc1ccccc1)c1nc(Cl)c(C#N)s1 804353551 BGICLTOBAJKCEB-UHFFFAOYSA-N 291.807 3.737 30 20 CHED C[C@]12CCN(c3ccc(C#N)cc3F)C[C@@H]1C2(Cl)Cl 804705110 RNCUZFQRSNKEOG-STQMWFEESA-N 299.176 3.717 30 20 CHED C[C@@H](NC(=O)CCCCCC#N)c1c(F)cccc1F 805166991 TYXYKSXVIAYYRV-LLVKDONJSA-N 280.318 3.616 30 20 CHED C#CCCCOC(=O)c1cc(F)c(C(F)(F)F)cc1F 805593884 GFBBXCVWLOQUHN-UHFFFAOYSA-N 292.203 3.554 30 20 CHED CC(C)c1nc(C(=O)/C=C/c2ccc3c(c2)ncn3C)co1 806558177 VCHHWOGSLJQWBR-FNORWQNLSA-N 295.342 3.581 30 20 CHED C=CC[C@H](NC(=O)N1CCC2(CCC2)CC1)c1ccncc1 806818545 BDVMGVKMEWRCTJ-INIZCTEOSA-N 299.418 3.675 30 20 CHED COc1ccc2c(c1F)C/C(=C/c1ccccc1F)C2=O 809157536 UBOCKTRMWVYMIJ-FLIBITNWSA-N 286.277 3.796 30 20 CHED CCC[C@H](C)c1noc(-c2ccc(C)c(C#N)c2)n1 809358346 CDTOUVYXZPMUJD-NSHDSACASA-N 255.321 3.820 30 20 CHED CSc1ccc(CNCc2cc(C#N)ccc2F)s1 810146375 QLQKSKSQMANNEI-UHFFFAOYSA-N 292.404 3.771 30 20 CHED C=CCCCCC[C@@H](C)N[C@@H](CO)C1CCCC1 810259432 JADUUHQMYYMLHS-ZBFHGGJFSA-N 253.430 3.652 30 20 CHED CCCCCCCOC(=O)c1cn(C(C)C)cn1 811211004 BQISZXZNNIUDFN-UHFFFAOYSA-N 252.358 3.591 30 20 CHED FC(F)(F)c1cscc1C=NN[C@H]1C[C@H]2CC[C@H]1C2 811646541 CPTMHBBTYTVPPD-AUTRQRHGSA-N 288.338 3.879 30 20 CHED CCCCOc1ccccc1C=NNC[C@H]1CCSC1 811658054 FYEUJEXCSPUISB-CQSZACIVSA-N 292.448 3.542 30 20 CHED CC(C)C(=NNC[C@H]1CCSC1)C1CCCCC1 811660231 JHDFUYXJXJMLQT-CYBMUJFWSA-N 268.470 3.921 30 20 CHED C[C@H](COc1ccccc1)NN=Cc1ccccc1Cl 811669154 WTVVVLCGGYHCDM-CYBMUJFWSA-N 288.778 3.731 30 20 CHED CCc1ccccc1NN=C(C)c1ccccc1C#N 814801971 QBZJLJHWNUUMIA-UHFFFAOYSA-N 263.344 3.957 30 20 CHED CCC(C=NNc1ccc([N+](=O)[O-])cn1)(CC)CC 814806375 YTHNSGOEFICSBJ-UHFFFAOYSA-N 264.329 3.604 30 20 CHED Fc1cc(F)cc(NN=Cc2ncc(Cl)s2)c1 814813453 PAZKAAMWZKCKGA-UHFFFAOYSA-N 273.695 3.521 30 20 CHED CCCC(=NN[C@H](C)c1ccccc1)c1ccccn1 814815228 QRBTZERGAANNPW-CQSZACIVSA-N 267.376 3.937 30 20 CHED CSCC(=NNC1CC1)c1ccc(C(F)(F)F)cc1 814903069 PYOQPXJBUSVLHD-UHFFFAOYSA-N 288.338 3.525 30 20 CHED C=CCCC(CCC)=NN[C@H]1CCOC(C)(C)C1 814909534 ZINBGIUSWZCQHY-AWEZNQCLSA-N 252.402 3.656 30 20 CHED Cc1cc(Cl)cc(C=NOCCC(F)(F)F)c1 814910422 UXRPDPWBIXGTAP-UHFFFAOYSA-N 265.662 3.951 30 20 CHED CCOc1ccc(NN=Cc2cc(F)c(O)c(F)c2)cc1 814983110 CZTPCTHFOPDCCJ-UHFFFAOYSA-N 292.285 3.515 30 20 CHED C=CCC(C)(C)CNCc1ccc([N+](=O)[O-])c(Cl)c1 816628295 PCERYTVXPKCKMZ-UHFFFAOYSA-N 282.771 3.940 30 20 CHED C#CCCCC(=O)N(CCCC)[C@H]1CCC[C@H](C)C1 818801932 HUXNUYGGFVKFBE-HOTGVXAUSA-N 263.425 3.997 30 20 CHED CC(=NN[C@H](C)c1ccncc1)c1cc(C)cc(C)c1 819814931 IRSVLNLXOKVDTH-CQSZACIVSA-N 267.376 3.773 30 20 CHED C[C@@H](NN=C(CC1CC1)c1ccccc1)c1ccncc1 819815679 UAPZUGSWQGACPI-CQSZACIVSA-N 279.387 3.937 30 20 CHED C#C[C@H](OC(=O)c1cnc(C(C)C)s1)c1ccccc1 821612637 DDVOVGNFEHAGLY-ZDUSSCGKSA-N 285.368 3.798 30 20 CHED CCCCCCC[C@H](C)CNC(=O)/C=C/[C@H]1CCOC1 822678098 VFRCTPVOKFCMAM-IGXNXKSNSA-N 281.440 3.692 30 20 CHED Cc1cc(CNC[C@@]2(C)CC2(Cl)Cl)ccc1C#N 824774815 VZDFEDCYERYJAT-CYBMUJFWSA-N 283.202 3.540 30 20 CHED C#CCCCN[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 830259122 XYDMBFFCTDKOSU-CQSZACIVSA-N 298.283 3.913 30 20 CHED C[C@@H](OC(=O)C1CC2(CCC2)C1)c1cccc(C#N)c1 830626323 UCLARDLPWYRBCV-GFCCVEGCSA-N 269.344 3.743 30 20 CHED N#Cc1cccc(SCc2ccc(F)cc2C(=O)O)c1 833075071 KTXVLJZOULVUBE-UHFFFAOYSA-N 287.315 3.688 30 20 CHED CCC(=NN[C@@H](C)c1ccccc1)c1ccncc1 834944557 SRMXETJTVCMEJY-ZDUSSCGKSA-N 253.349 3.547 30 20 CHED Fc1cc2c(c(F)c1F)C(=NOCCC(F)(F)F)CC2 834973225 UIVFRMZTNZVLRM-UHFFFAOYSA-N 297.198 3.723 30 20 CHED Cc1cccnc1[C@@H]1CCCC(=NN[C@H](C)C(F)(F)F)C1 834998266 SDSCFRNRCQZOQD-VXGBXAGGSA-N 299.340 3.944 30 20 CHED CC(=NOC(C)C)c1nc2ccccc2n1C(F)F 835003844 AGBPVRNPBFNXOC-UHFFFAOYSA-N 267.279 3.580 30 20 CHED CC(C)(C)[C@@H]1CCC1=NNc1ccc(C(=O)O)c(F)c1 835009717 YZEFDHNQDBJFKS-LLVKDONJSA-N 278.327 3.748 30 20 CHED C=CCC1(NC(=O)[C@@H]2CC2(Cl)Cl)CCCCC1 836956734 LJMYUAGHOBRIOB-JTQLQIEISA-N 276.207 3.575 30 20 CHED C=CCCCCOC(=O)c1c(Cl)cncc1Cl 837749709 GEWAVTGYEWBKLA-UHFFFAOYSA-N 274.147 3.902 30 20 CHED C#C[C@H](OC(=O)CCCCCCC(C)=O)c1ccccc1 842365078 IRBYHWJSYRUDBT-KRWDZBQOSA-N 286.371 3.834 30 20 CHED C#CCCCCCC(=O)Oc1cccc2c1OCCC2 842949526 ZWLGCGQAPMHNOF-UHFFFAOYSA-N 272.344 3.501 30 20 CHED C=C(C)CONC(=O)N(C)[C@H](c1ccccc1)C(C)C 845596952 IJNGVXALBRPHAU-HNNXBMFYSA-N 276.380 3.533 30 20 CHED C=C[C@H](C)ONC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 846545446 HBQTZJDRILHHBS-DTWKUNHWSA-N 288.174 3.719 30 20 CHED C=CCC(CC=C)C(=O)N1CCn2c(Cl)ccc2[C@H]1C 848088686 CSCMRCKQFPLVAS-GFCCVEGCSA-N 292.810 3.813 30 20 CHED CCCC[C@@](C)(F)C(=O)OC[C@@H](C#N)Cc1cccs1 850919364 QDGNMDKVIMQBMG-IUODEOHRSA-N 297.395 3.892 30 20 CHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)C1CCSCC1 851144573 RXLOEHJGXXXEOX-OCCSQVGLSA-N 268.422 3.808 30 20 CHED CC1=C(C)C[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)CC1 851205017 GBWVZJYGJLQVMU-KGLIPLIRSA-N 263.381 3.994 30 20 CHED CCN(C(=O)/C(C)=C/c1ccc(Cl)cc1)[C@@H](C)C#N 856074605 BFRQFPMQAJNLRM-ZKQHCESOSA-N 276.767 3.504 30 20 CHED C=CC[C@@H](N[C@@H]1CCc2cc(OC)ccc21)c1ccncc1 866268489 WTIUPERUHYTWSY-RTBURBONSA-N 294.398 3.985 30 20 CHED COc1ccc(N[C@H](C)C2CCSCC2)cc1C#N 877769686 IQYXDBFUTQKNQK-LLVKDONJSA-N 276.405 3.510 30 20 CHED C[C@@H](CC#N)NCc1cc2cc(Cl)ccc2nc1Cl 878820159 IAWREUNFKDTCTA-VIFPVBQESA-N 294.185 3.933 30 20 CHED C=CC(C)(C)CC(=O)NCC1(c2cccc(F)c2)CC1 878922026 LFMFVOGEISUXHJ-UHFFFAOYSA-N 275.367 3.576 30 20 CHED C=CC(C)(C)CC(=O)N(C)[C@H](C)Cc1ccccc1OC 879004660 GJXCMYNRELWMGV-CQSZACIVSA-N 289.419 3.687 30 20 CHED C=C[C@@H]1CCCCN1C(=O)Nc1cnccc1C(F)(F)F 880966657 ZLMHHVXUWDSGEJ-SNVBAGLBSA-N 299.296 3.673 30 20 CHED Cc1ccccc1-n1nc(C)c(CNCCCCC#N)c1C 885969684 ZXEQSGSMDXDCTA-UHFFFAOYSA-N 296.418 3.581 30 20 CHED N#Cc1ccc(F)c(C(=O)NC2(C3CCCCC3)CC2)c1 891275700 PHOWUKRHKSUAPR-UHFFFAOYSA-N 286.350 3.540 30 20 CHED Cc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)cnc1F 891596302 RNQQEIGANFKROH-UHFFFAOYSA-N 295.361 3.565 30 20 CHED CCCSCC(C)=NNc1ncccc1Cl 901170198 KQUTYQPVNPOSPM-UHFFFAOYSA-N 257.790 3.666 30 20 CHED c1ccc(-c2nnc(NN=C3CC4(CCCC4)C3)s2)nc1 901226639 DAQHCORTHZXEKM-UHFFFAOYSA-N 299.403 3.722 30 20 CHED Cc1cc[nH]c1C(=O)Nc1sc2c(c1C#N)CCCCC2 901265681 CMKSRPOJUZNGMI-UHFFFAOYSA-N 299.399 3.778 30 20 CHED CC[C@H](N[C@H](C)c1ccccn1)c1cccc(C#N)c1 902720988 RVEFXPBTLLRJJD-CJNGLKHVSA-N 265.360 3.755 30 20 CHED CC[C@@H](NCc1csc(C)n1)c1cccc(C#N)c1 902756321 FPFAEGPNOIZUMO-OAHLLOKOSA-N 271.389 3.564 30 20 CHED CC[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(C#N)c1 902895460 ZKWQACFGSCEKHT-WNRNVDISSA-N 296.414 3.557 30 20 CHED C=C[C@@H](CC)CC(=O)O[C@@H](c1ccccn1)C(F)(F)F 904016503 IIDUJVAMOSHBAS-GWCFXTLKSA-N 287.281 3.831 30 20 CHED CC(=O)c1ccc(OC(=O)C2(C#N)CCCC2)cc1Cl 906247204 BFXDCHGOCVCEKW-UHFFFAOYSA-N 291.734 3.532 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(C(=O)O)c(C)cc1C 907630145 VPZJCROSXIDHIE-GFCCVEGCSA-N 275.348 3.542 30 20 CHED CC(C)[C@@H](C)C(=O)OCCCCC1(C#N)CCC1 909011489 SCZLOGWKYNMNCS-CYBMUJFWSA-N 251.370 3.686 30 20 CHED CC(C)(C(=O)OCc1cc(C#N)ccn1)C1CCCCC1 909126115 IPPYEGUHYRLFFG-UHFFFAOYSA-N 286.375 3.603 30 20 CHED CCCCCC1=C(C)CCC1=NNc1ncnc2[nH]cnc12 917554343 KWGORRSLZQQQNL-UHFFFAOYSA-N 298.394 3.811 30 20 CHED Cc1sc(NC(=O)C=C2CCCC2)c(C#N)c1C 917559201 IBSJAIXENNTFDJ-UHFFFAOYSA-N 260.362 3.676 30 20 CHED COc1ccc(C)cc1C(=O)/C=C1/COc2ccc(F)cc21 918156367 OKVVPKDPJJCPDI-WQLSENKSSA-N 298.313 3.801 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2CCc3cc(C)ccc32)c1 920178552 TULAIMPOGOSDKC-HPKGMJOESA-N 281.355 3.816 30 20 CHED C[C@H](CC(C)(C)C#N)NCc1ccccc1OC(F)F 924592339 OTGKZGCCFFJVLC-LLVKDONJSA-N 282.334 3.706 30 20 CHED C[C@H](CC(C)(C)C#N)Nc1ccccc1O[C@H]1CCOC1 925910623 WVYXWVBUHURUCZ-KGLIPLIRSA-N 288.391 3.595 30 20 CHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cn(C(C)C)nn1 926590661 DSARWDRMWRTHPK-WBVHZDCISA-N 298.434 3.697 30 20 CHED C[C@H](NCC(C)(C)C#N)c1cc(-c2ccccc2)no1 926873723 IPNJRVIEGGDYAZ-LBPRGKRZSA-N 269.348 3.542 30 20 CHED C=CCN(CC1CCCCC1)[C@H](C)c1ncccn1 929623922 FGFIZQPDKJVXBC-CQSZACIVSA-N 259.397 3.606 30 20 CHED CC(C)CN(C[C@H](O)CC#N)[C@H](C)c1ccccc1Cl 930371564 WZAHNIYIYVMYNG-ZIAGYGMSSA-N 294.826 3.634 30 20 CHED C=C[C@H](CC)CC(=O)Nc1cc(F)c(OC)cc1C 935451000 CMULLHVTSAJRGL-LLVKDONJSA-N 265.328 3.684 30 20 CHED Cc1ccc(Cl)cc1CNc1cccc(CC#N)n1 1120453517 RPHSAKAHKYSPDD-UHFFFAOYSA-N 271.751 3.722 30 20 CHED N#C[C@]1(C(=O)NCC2CCCCCCC2)CC12CCCC2 1125301689 VZADLBQVBJYVBT-SFHVURJKSA-N 288.435 3.937 30 20 CHED Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1F 1129715883 SVVNRVXGTSZJAF-LSDHHAIUSA-N 294.329 3.748 30 20 CHED CC1CC(C#N)(C(=O)NC[C@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 1136488262 JQJSNUUJYPJUST-MYPHYYIGSA-N 290.451 3.751 30 20 CHED N#Cc1nc(NCCc2ccccc2Cl)sc1Cl 1162314491 XAYMSCNQWMDZCJ-UHFFFAOYSA-N 298.198 3.976 30 20 CHED C=C(Cl)CN(CCC)[C@H]1C[C@H](OCC)C1(C)C 1191099122 IUJQKJVPPLCZIG-STQMWFEESA-N 259.821 3.655 30 20 CHED C=C(C)CCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 1262609031 BEYNXGSTWKIBCI-DZGCQCFKSA-N 275.367 3.886 30 20 CHED C=CCC1(NC(=O)C[C@@H]2CNc3ccccc32)CCCC1 1263157698 HBWZEXLZYFLXKJ-CQSZACIVSA-N 284.403 3.591 30 20 CHED Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1C#N 1264349293 MSVRCBCKFXQSGQ-GPMSIDNRSA-N 296.414 3.811 30 20 CHED CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@H]1CC 1295028869 DKHUTXVMEZJCLT-ZIAGYGMSSA-N 285.391 3.755 30 20 CHED Cc1cc(S[C@H](C)C(=O)Nc2ccccc2)ccc1C#N 1307361577 MGMKWXCAHDUBHF-CYBMUJFWSA-N 296.395 3.986 30 20 CHED Cc1cccc(C=NNc2ccc(C(C)(C)C)nn2)c1C 1318576531 WJVZPVGQTUUWJX-UHFFFAOYSA-N 282.391 3.837 30 20 CHED C#CCCCCc1nnc(-c2cc(-c3ccccc3)on2)o1 1324110874 DKFLIIXUAMAVGJ-UHFFFAOYSA-N 293.326 3.738 30 20 CHED C=CCC(F)(F)C(=O)NC(C)(C)C1CCCCC1 1324506240 LBPUSJRKWPMELI-UHFFFAOYSA-N 259.340 3.673 30 20 CHED Fc1ccccc1CNN=Cc1ccc(N2CCCC2)cc1 1324551887 ZGDMJHUSHWZNBO-UHFFFAOYSA-N 297.377 3.550 30 20 CHED CC[C@H](C#N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 1326738316 BVDPEJWVRSREFO-BXUZGUMPSA-N 276.767 3.553 30 20 CHED Cc1ccc2sc(CN(CCC#N)CC(C)C)nc2c1 1329225630 SMGZDVOWFHJLGT-UHFFFAOYSA-N 287.432 3.976 30 20 CHED CC(F)(F)C1(C(=O)OCCCCC2(C#N)CCC2)CC1 1334897216 BIJBPVABCZMSPK-UHFFFAOYSA-N 285.334 3.829 30 20 CHED C=C(C)CCC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 1337165303 PQYOCSKVHYATGM-WBVHZDCISA-N 271.404 3.995 30 20 CHED Cc1cc(N[C@@H](C)CC(C)(C)C#N)ccc1N1CCCC1=O 1342777644 DFYQQKPZEFWPCA-AWEZNQCLSA-N 299.418 3.862 30 20 CHED CC[C@H](C#N)[C@@H](OC(=O)Cc1ccco1)c1cccs1 1343902491 UFMFTFFSUDYZKF-IAQYHMDHSA-N 289.356 3.718 30 20 CHED Cc1cc(C(=O)O[C@H](CC#N)c2ccco2)cc(C)c1F 1344937008 OKCGUOZHQMFAGW-CQSZACIVSA-N 287.290 3.847 30 20 CHED C[C@H](C(=O)O[C@H](CC#N)c1ccco1)C1CCCC1 1345982244 PGFMBHWBULHIQH-SMDDNHRTSA-N 261.321 3.604 30 20 CHED C[C@H]1CC[C@H](C(=O)O[C@@H](CC#N)c2ccco2)CC1 1347949157 RMXJTTDYTXNKLD-OBJOEFQTSA-N 261.321 3.604 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)Nc1scnc1CC 1350062060 NNWDKINXKRQLNW-LLVKDONJSA-N 279.409 3.668 30 20 CHED C=C(CC)C(=O)Nc1cc(Cl)ccc1OCCOCC 1351138640 DJHBMJCABYPDFF-UHFFFAOYSA-N 297.782 3.660 30 20 CHED Cc1ccc(C#N)c(N[C@@H]2CCC(C)(C)C[C@@H]2C)n1 1458229150 HROWYSTVIRKHTQ-SMDDNHRTSA-N 257.381 3.888 30 20 CHED N#Cc1cccc(N(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C2CCC2)c1 1461562354 XSQWQFIEXFOHAK-DHSIGJKJSA-N 294.398 3.880 30 20 CHED CC(C)CCN(CCC#N)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 1464916460 IDIMCGUCTTUGKA-OWCLPIDISA-N 278.440 3.847 30 20 CHED CCC[C@@H](CC)NC(=O)Nc1scc(C)c1C#N 1476559410 UWYRCTNAXRLXRR-SNVBAGLBSA-N 265.382 3.628 30 20 CHED CC[C@@H](C#N)[C@@H](OC(=O)CC(C)(C)C#N)c1cccs1 1515590922 WJUHTGXSLPCWOK-SMDDNHRTSA-N 290.388 3.822 30 20 CHED N#Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)cs1 1521787400 GCDGTEADANDRLI-UHFFFAOYSA-N 296.273 3.891 30 20 CHED Cc1c(Cl)cccc1NC(=O)c1csc(C#N)c1 1524126294 ZKGOFDDOPAIKKN-UHFFFAOYSA-N 276.748 3.834 30 20 CHED N#Cc1ccc(F)c(NC(=O)[C@@H](c2ccccc2)C2CC2)c1 1535455741 RYLXOFPQQPKOKD-KRWDZBQOSA-N 294.329 3.830 30 20 CHED Cc1cc2c(NC(=O)[C@H]3CCC[C@H](C)C3)n[nH]c2cc1C#N 1557353889 ZFYOGURFYOVFHN-JQWIXIFHSA-N 296.374 3.508 30 20 CHED C=CC[C@H](N[C@H](C)c1csc2ccccc12)C(=O)O 1588745511 JRCHYEHSIBRTAN-MFKMUULPSA-N 275.373 3.581 30 20 CHED CC(C)(C#N)CCCCN[C@]1(C(=O)O)CCCC(C)(C)C1 1589553665 FSWFCQSJPFKTTO-QGZVFWFLSA-N 294.439 3.720 30 20 CHED CC(CC1CCC1)=NNc1cccc(C(=O)O)c1F 1592459192 KDFMLNRXLHVNMO-UHFFFAOYSA-N 264.300 3.502 30 20 CHED CCCCCCCOc1cc(C(=O)O)cc(C(=O)OC)c1 1595704328 FTHFIVRFRNZMSN-UHFFFAOYSA-N 294.347 3.521 30 20 CHED CCCCCCCCCN1CCC[C@@H]2C[C@@]21C(=O)O 1595705246 SKZUOILLHZNZRO-ZBFHGGJFSA-N 267.413 3.676 30 20 CHED CC[C@](C)(NC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 1596491196 SSJFLZZAXGVILS-SFHVURJKSA-N 296.345 3.753 30 20 CHED CC1(C)CC(CNc2ncc(C#N)cc2Br)C1 1642583279 IQPRYBFNXCVWHC-UHFFFAOYSA-N 294.196 3.564 30 20 CHED CC[C@H]1CCC[C@@H]1NCc1cc(Cl)ccc1OCC#N 1645282733 UGWBCYHCKGHKBT-WFASDCNBSA-N 292.810 3.911 30 20 CHED CCC[C@@H](C)[C@H]1CCCN1CCOc1ccccc1C#N 1652889606 COQAOJHUWUCPSF-NVXWUHKLSA-N 286.419 3.838 30 20 CHED CC(C)CCOC(=O)N(Cc1ccc(C#N)cc1)C(C)C 1659825996 ULLUCIRWPPVIIO-UHFFFAOYSA-N 288.391 3.951 30 20 CHED CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(OC)c(C#N)c1 1664152604 GHKBGFGFJDHFFT-NWDGAFQWSA-N 289.379 3.513 30 20 CHED CC[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)[C@H]1CC1(C)C 1673777683 XQTIQKKKSLFPKY-WQVCFCJDSA-N 299.418 3.743 30 20 CHED O=C(/C=C\c1cc(F)c(C(=O)O)cc1F)c1ccccc1 1776114303 LKPFXBCIKSAULR-SREVYHEPSA-N 288.249 3.559 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1 1776158507 UPWDIVZMNJOWDI-ZSHCYNCHSA-N 293.451 3.802 30 20 CHED COc1cc(/C=C/C(=O)c2ccccc2C)ccc1C(=O)O 1777289436 HFVHPIYJWNJVJF-CSKARUKUSA-N 296.322 3.598 30 20 CHED CCn1c(S[C@@H](C)C#N)nnc1-c1cccc(Cl)c1 5533334 MWIVFFORDAVHEP-VIFPVBQESA-N 292.795 3.623 30 20 CHED C=C(C)CNc1ccccc1C(=O)NCc1ccccc1 17524825 AAGTWHSKMYJOPL-UHFFFAOYSA-N 280.371 3.605 30 20 CHED CCc1cccc(OCc2ccc(C#N)cc2F)c1 19806572 YZQSWTWCHASBIR-UHFFFAOYSA-N 255.292 3.839 30 20 CHED N#Cc1ccc(CN[C@H]2CCSc3ccccc32)cc1 35045328 HHHKNAKZYYBQLZ-INIZCTEOSA-N 280.396 3.885 30 20 CHED C[C@@H](NCc1ccc(F)cc1)c1ccc(OCC#N)cc1 37211061 VSTLVLHVGDZYNR-CYBMUJFWSA-N 284.334 3.579 30 20 CHED CC(C)CCN(C(=O)CCc1ccc(C#N)cc1)C1CC1 42767822 DEHIIDPRYYDDGP-UHFFFAOYSA-N 284.403 3.528 30 20 CHED CC(C)CN(CCC#N)C(=O)CCC1CCCCC1 48151388 WTBUJKSWRUJWPW-UHFFFAOYSA-N 264.413 3.745 30 20 CHED COc1ccc(C)cc1/C=C/C(=O)c1ccc(C)o1 48391501 AEFIEXPSTAMSMK-VOTSOKGWSA-N 256.301 3.801 30 20 CHED CC[C@H](NC(=O)c1ccc(C#N)cc1)C1CCCCC1 52343161 CYBXJNPKXCFMGC-INIZCTEOSA-N 270.376 3.647 30 20 CHED CC[C@@H](CC#N)N[C@H](C)c1ccc(OC(F)F)cc1 54183251 LQLRKLNHPVFWJQ-PWSUYJOCSA-N 268.307 3.631 30 20 CHED C=C(C)CN(CC)C(=O)c1oc2ccccc2c1C 57158074 IGDTWGHPTQEBRS-UHFFFAOYSA-N 257.333 3.779 30 20 CHED CCc1ccc(CNC(=O)Nc2cc(C#N)ccc2C)s1 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CHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccccc1C 280713706 UGXDIUDTYKSCEE-ZOBUZTSGSA-N 259.393 3.627 30 20 CHED C=CC[C@H](CC)NC(=O)c1oc2ccccc2c1COC 281117074 RWEOHRDCFBWEDW-LBPRGKRZSA-N 287.359 3.664 30 20 CHED C=CCC(CC=C)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 282264736 JSKVSKSKVWXZFX-UHFFFAOYSA-N 292.310 3.749 30 20 CHED CC[C@@](C)(C#N)C(=O)N(C)Cc1cccc2ccccc12 285421622 LBSJVHGVEQICIS-SFHVURJKSA-N 280.371 3.738 30 20 CHED CC[C@H](Nc1nc(Cl)c(C#N)s1)c1ccncc1 286021043 AKOOQTCKFUBFFS-VIFPVBQESA-N 278.768 3.626 30 20 CHED C[C@H]1C[C@H](c2ccccc2)N(c2cccc(C#N)n2)C1 286419890 OOIZEDHLSKRWQQ-XJKSGUPXSA-N 263.344 3.541 30 20 CHED C=CCCCCCCN[C@@H](c1nccn1C)C1CC1 287223659 XTJYUYFEIKZCJV-OAHLLOKOSA-N 261.413 3.597 30 20 CHED CC1(C)CC[C@@H]1NC(=O)Nc1ccc(C#N)cc1Cl 287289541 YWCIUAYDBCYLJY-LBPRGKRZSA-N 277.755 3.522 30 20 CHED C=CCC(F)(F)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 293555335 FLWUVPHOBXSQQC-GXTWGEPZSA-N 279.330 3.808 30 20 CHED C=CCCCC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 293705325 ARCBNWJGYLLFJE-CTYIDZIISA-N 261.340 3.544 30 20 CHED C=CC(C)(C)C(=O)Nc1ccc(N2CCCCC2)cc1 294178304 DSVGUIAMPQBYCX-UHFFFAOYSA-N 272.392 3.828 30 20 CHED C=CCOc1ccccc1-c1nc([C@H](CCC)OC)no1 296329636 GGTYPYKUYRWGMM-AWEZNQCLSA-N 288.347 3.789 30 20 CHED C[C@H]1c2ccccc2CCN1C(=O)[C@]1(C#N)CC12CCCC2 297624558 HOWXDAGWOBEWLR-IFXJQAMLSA-N 294.398 3.606 30 20 CHED N#Cc1ccc(N2CCC3(CCCC3)C2)cc1Cl 301420671 CPSQWWIRMDORKL-UHFFFAOYSA-N 260.768 3.982 30 20 CHED C[C@@H]1CN(c2c(Cl)cccc2C#N)C[C@@H](C)S1 301486018 ZOUSOVQESXAAFN-NXEZZACHSA-N 266.797 3.542 30 20 CHED C[C@H](Nc1ccnc(C(C)(C)C)n1)c1cccc(C#N)c1 301607726 ZMJMRASXFOURCV-LBPRGKRZSA-N 280.375 3.819 30 20 CHED C=C(C)COCCNc1cc(C)c([N+](=O)[O-])cc1Cl 301650529 GGGLVEXUCRHYAA-UHFFFAOYSA-N 284.743 3.561 30 20 CHED CC[C@H](CSc1ccccc1)Nc1ncccc1C#N 301776647 OOTDTGYPGMZZQV-CQSZACIVSA-N 283.400 3.936 30 20 CHED N#Cc1ccc(C(F)(F)F)c(N2C[C@@H]3CCC[C@H]3C2)c1 302284148 KYGPONJODNHIKT-RYUDHWBXSA-N 280.293 3.813 30 20 CHED Cc1cc(Oc2nc(Cl)c(C#N)s2)ccc1F 310164225 RENDHEVJYPSBHC-UHFFFAOYSA-N 268.700 3.908 30 20 CHED CC1(C)CCc2ccccc2[C@@H](/N=C(/O)c2ccnnc2)C1 328689052 CVSRDSLKJGHDJU-INIZCTEOSA-N 295.386 3.885 30 20 CHED CC1(C)CCC[C@@H]1/C(O)=N/[C@H]1CCC(O)=NC12CCC2 328739297 LEMRJWBUYXUDOI-NEPJUHHUSA-N 278.396 3.811 30 20 CHED C[C@@H]1CC(O)=N[C@H](/C(O)=N/[C@H]2CSc3ccccc32)C1 328888847 PYDMYYXXYVMWFL-DLOVCJGASA-N 290.388 3.545 30 20 CHED C[C@@H]1CCC[C@H](C(O)=Nc2cccc(-c3cnn[nH]3)c2)C1 329609781 RBQCCPVUAMUGLG-YPMHNXCESA-N 284.363 3.886 30 20 CHED C[C@H]1OCC[C@]1(C)NC(O)=Nc1cccc(C2CCC2)c1 329840629 WKMZBSHQSRISQH-PXAZEXFGSA-N 288.391 3.657 30 20 CHED C[C@H](/N=C(/O)[C@H]1CCC(=O)c2cccn21)C1CCCC1 329849568 NUMRUJSIVOQVCN-SMDDNHRTSA-N 274.364 3.541 30 20 CHED Cc1cnc(N=C(O)N2CCCC3(CCCCC3)CC2)o1 329958278 PXQZSQMLZIOLBC-UHFFFAOYSA-N 291.395 3.965 30 20 CHED CC(C)c1ncc(N=C(O)[C@@H]2CC23CCCC3)cn1 330067878 UWRPYKSEBAGDCR-LBPRGKRZSA-N 259.353 3.768 30 20 CHED Cc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cn1 335822950 HZGDGQPGOYZHIO-IBGZPJMESA-N 291.398 3.819 30 20 CHED N#Cc1ccccc1NC(=O)[C@H]1CCSc2ccccc21 336446173 FULJLQBQXUESFH-AWEZNQCLSA-N 294.379 3.776 30 20 CHED C=CCn1cccc1C(=O)NC1CC(c2ccccc2C)C1 337087423 GCXAYTSTGCRFTH-UHFFFAOYSA-N 294.398 3.659 30 20 CHED C=CC[C@@H](CC)NC(=O)CCC(=O)c1cc(C)sc1C 337098429 TUIGDQZLBYTOTI-CYBMUJFWSA-N 293.432 3.799 30 20 CHED Cc1cc(CNc2ncc(C#N)cc2Cl)ccc1F 339228230 CBVJEYJCWJAPDB-UHFFFAOYSA-N 275.714 3.666 30 20 CHED C[C@H]1C[C@H]1c1ccc(CN(c2cc(C#N)ccn2)C2CC2)o1 339974021 QTOYUEQGHSSHAD-BLLLJJGKSA-N 293.370 3.839 30 20 CHED COCC1(C#N)CCN([C@@H](C)c2cccc(Cl)c2)CC1 341969847 CCIALFCYTOTZKQ-ZDUSSCGKSA-N 292.810 3.653 30 20 CHED N#Cc1csc(CNCC[C@@H]2C[C@H]3CC[C@H]2C3)c1 343798290 YETVVVVBAQMCGN-FPMFFAJLSA-N 260.406 3.536 30 20 CHED CCCCOc1ccc(NC(=O)NCCCC#N)c(C)c1 344941163 LOPWHTWDAAUTOW-UHFFFAOYSA-N 289.379 3.599 30 20 CHED C=CC[C@H]1N(C(=O)CC[C@H]2CCCO2)CCCC1(C)C 347479484 GUOWQMDVAJGDRJ-HUUCEWRRSA-N 279.424 3.539 30 20 CHED C=CCOCCCN1CCC(c2c[nH]c3ccccc23)CC1 347970835 XEQNOGZXCCJZDJ-UHFFFAOYSA-N 298.430 3.940 30 20 CHED C=CC[C@H](CO)N[C@H]1CCc2c(Cl)cc(Cl)cc21 349744451 MQZPPQCDQSXQTE-YGRLFVJLSA-N 286.202 3.507 30 20 CHED C=CCn1c([C@H](C)CC)nnc1N1C[C@H](C)CC[C@@H]1C 351158456 CAADREHNTWJKLU-MCIONIFRSA-N 276.428 3.602 30 20 CHED Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H](C#N)C1)CCC2 352613149 UWONRWXSHWZHIL-UKPHBRMFSA-N 254.377 3.654 30 20 CHED C=CCOc1ccc(CN(CCC)CC(F)F)cc1OC 352927836 YURFPIUDSKXHFJ-UHFFFAOYSA-N 299.361 3.737 30 20 CHED Cc1ccc(CCCN(CCC#N)CC(C)(C)C)cn1 353621250 GZHQYXRJXPVAHG-UHFFFAOYSA-N 273.424 3.584 30 20 CHED C=CCCC1(C(=O)NCCCOC2CCCCC2)CC1 353791372 JYDXWRIRGITILC-UHFFFAOYSA-N 279.424 3.588 30 20 CHED C=CCCC1(C(=O)Nc2cccc(NC(C)=O)c2C)CC1 354311132 JMAFKHYRCXXLJN-UHFFFAOYSA-N 286.375 3.638 30 20 CHED C=CCN(C)C(=O)c1ccc2c(c1)oc1ccccc12 354875955 JNBBOFNMHCBSPK-UHFFFAOYSA-N 265.312 3.844 30 20 CHED C=CCCC1(C(=O)Nc2cccc(-c3noc(C)n3)c2)CC1 355111927 DIQJPMBMVDVPEV-UHFFFAOYSA-N 297.358 3.730 30 20 CHED C=C(CC)CNc1cc(NC(C)=O)ccc1Cl 358658294 VQZUPMBNQIKWIU-UHFFFAOYSA-N 252.745 3.677 30 20 CHED CC(C)(C)OCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 360391295 XEWCAOOJKLEOJA-IAGOWNOFSA-N 286.419 3.573 30 20 CHED N#Cc1cscc1C(=O)NC1(c2ccccc2)CCCC1 410487587 WUNNWESLHUCCIA-UHFFFAOYSA-N 296.395 3.819 30 20 CHED N#Cc1cnc(NCC2(Cc3ccccc3)CC2)c(F)c1 413205088 PEAYSWPOLFLDJB-UHFFFAOYSA-N 281.334 3.527 30 20 CHED C=CC[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H]1CCOC 414291616 BJGDEFQTNOFZQP-QRVBRYPASA-N 287.447 3.969 30 20 CHED COC1(CCSCc2cccc(F)c2C#N)CCC1 419492122 AKJCWDYPXNPKFI-UHFFFAOYSA-N 279.380 3.890 30 20 CHED CCC[C@@](C)(CC)C(=O)Nc1ccc(C#N)c(C#N)c1C 421558804 NMOFMYRRRKZIQM-QGZVFWFLSA-N 283.375 3.893 30 20 CHED Cc1c(NC(=O)C[C@H]2CCC[C@@H](C)C2)ccc(C#N)c1C#N 421560297 QHWLMFOBWKEACH-OCCSQVGLSA-N 295.386 3.893 30 20 CHED C[C@H]1CC[C@@](C)(C(=O)NCc2ccc(C#N)s2)C1(C)C 421601162 JSQUCOULMZDWIJ-ZBEGNZNMSA-N 290.432 3.698 30 20 CHED C[C@H](Cc1ccc(F)cc1Cl)NCC(C)(C)CC#N 421849247 BOSIXZUQSUOMOI-LLVKDONJSA-N 282.790 3.940 30 20 CHED COc1cc(Cl)ccc1[C@@H](C)NCC1(CC#N)CC1 421852499 IJZAUFHSUHJBMC-LLVKDONJSA-N 278.783 3.693 30 20 CHED C=C(C)C(C)(C)c1nc(-c2cc(F)cc(F)c2)no1 424342994 ZWFMUUNGZNPFLK-UHFFFAOYSA-N 264.275 3.869 30 20 CHED CC[C@H](Cc1ccccc1C)C(=O)N[C@@](C)(C#N)C(C)C 424633731 WTOHGJZBDSNHHK-QAPCUYQASA-N 286.419 3.618 30 20 CHED C=C(C)CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 425531189 GVSFRBHRVPQYHS-LBPRGKRZSA-N 282.309 3.996 30 20 CHED CC(C)[C@@]1(C)C[C@H]1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 425558750 FLBQBFLSXGOLQC-MZMPZRCHSA-N 299.418 3.695 30 20 CHED Cc1ncsc1CCSCc1cccc(F)c1C#N 427662069 HFNYZOJKYYZEAA-UHFFFAOYSA-N 292.404 3.938 30 20 CHED N#Cc1csc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)c1 437569278 OZLSLRQPKLVOAI-LSDHHAIUSA-N 296.395 3.686 30 20 CHED CCN(CCC#N)C(=O)c1cccc(Nc2ccccc2)c1 439143622 ZNFJIOVZUIYMNP-UHFFFAOYSA-N 293.370 3.806 30 20 CHED C=CCN(CC=C)C(=O)CC(C)(C)CC(=O)c1ccccc1 442414754 UOQWBMUTQAWQTR-UHFFFAOYSA-N 299.414 3.876 30 20 CHED C=CCC[C@H](C)N[C@@H](C)[C@H](c1ccccc1C)N(C)C 443196469 LFGBKFSVOKXPCG-XYJFISCASA-N 274.452 3.931 30 20 CHED CC(C)Oc1ccccc1CN1CCCC(C)(C)[C@H]1C#N 444724551 ZRGDDARWDFJQTA-QGZVFWFLSA-N 286.419 3.988 30 20 CHED C=CCCCNC(=O)Nc1nc2c(F)c(F)ccc2s1 447994921 YFNSHDSJBYQYSR-UHFFFAOYSA-N 297.330 3.662 30 20 CHED C=CCC1(C(=O)Nc2cnccc2C)CCCCC1 448906326 DHQGAFHBOJXDAK-UHFFFAOYSA-N 258.365 3.855 30 20 CHED C[C@@H](CNC1CCC(C)(C#N)CC1)c1ccccc1 449062136 ILUIAEMHUMAFNF-OOHWJJMZSA-N 256.393 3.852 30 20 CHED CC(C)(C#N)CNCc1cnc(CCc2ccccc2)s1 449238018 FBUJXLSHVHXJHL-UHFFFAOYSA-N 299.443 3.568 30 20 CHED CC(C)(CCC#N)CNCCOc1ccc(F)c(Cl)c1 449404316 ZDGFSCJOQODHNH-UHFFFAOYSA-N 298.789 3.777 30 20 CHED CCC(CC)CN(CCC#N)Cc1nnc(C2CC2)s1 450461608 BQZREIDQBZJWIL-UHFFFAOYSA-N 292.452 3.567 30 20 CHED N#Cc1ccc(SCC[C@H]2CCOC2)c(Cl)c1 450862599 FUFCXUDGHSKDHQ-SNVBAGLBSA-N 267.781 3.730 30 20 CHED CN(CC1(C#N)CCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 451036895 MXPICIUHPHWJFY-TXEJJXNPSA-N 274.330 3.733 30 20 CHED C=CCC1(C(=O)NCC2(C(F)F)CC2)CCCCC1 451315736 RRMVOAKQSSOGTG-UHFFFAOYSA-N 271.351 3.675 30 20 CHED C=CCN(CCC#N)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 451957703 FVEUBSNIBLZBQQ-QZTJIDSGSA-N 296.414 3.889 30 20 CHED CC#CCCCC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 452192635 RVPZYUSKVLEOEY-MRXNPFEDSA-N 291.341 3.652 30 20 CHED C=CC(C)(C)CN[C@@H](C)c1cc(OC)c(OC)cc1C 453303162 BIFLHSOHNCSYEH-ZDUSSCGKSA-N 277.408 3.875 30 20 CHED Cc1cc(Br)c(CNCC2(CC#N)CC2)s1 453592925 IMUDQKUTQTWFLP-UHFFFAOYSA-N 299.237 3.603 30 20 CHED C=CC(C)(C)CNC(=O)N[C@H](C)c1c(F)cccc1F 454305690 BKUDNWRXNBZFOU-SNVBAGLBSA-N 282.334 3.537 30 20 CHED C=C(C)CCNC(=O)Nc1cccc(F)c1Cl 455421145 MNTIHWICAVZIEP-UHFFFAOYSA-N 256.708 3.567 30 20 CHED CC(C)(CC#N)CNCc1sccc1Br 459729507 JXGSPAGOIOMWKJ-UHFFFAOYSA-N 287.226 3.540 30 20 CHED C[C@H](C(=O)N(C)[C@@H](C)c1ccccc1)c1cccc(C#N)c1 461745591 KLPKQKVOKRAVDA-GJZGRUSLSA-N 292.382 3.881 30 20 CHED Cc1cc(N2CCC[C@H]2C)n2c(nc3ccccc32)c1C#N 463063541 HULSUYOBGAZHOZ-CYBMUJFWSA-N 290.370 3.656 30 20 CHED C[C@H](C[C@H]1CCCO1)Nc1ccc(C(F)(F)F)c(C#N)c1 463650793 RJQHDSXZWYKRMY-ZWNOBZJWSA-N 298.308 3.947 30 20 CHED C=CC[C@@H](CC)NCc1nc2ccc(F)cc2s1 466387572 UWIKLZQJNUHMNA-LLVKDONJSA-N 264.369 3.880 30 20 CHED C=CCCN(C)C(=O)NCCc1ccc(C(C)(C)C)cc1 466976539 VUEIIEGIKKFCIP-UHFFFAOYSA-N 288.435 3.744 30 20 CHED CO[C@]1(C)C[C@H](Nc2cc(Cl)ccc2C#N)C1(C)C 467018312 HMQHKINIBAEYCW-DZGCQCFKSA-N 278.783 3.827 30 20 CHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C1CC1 470635696 JZWHZNHEYZUOFH-SJORKVTESA-N 269.388 3.637 30 20 CHED C=CCCCCNC(=O)Cc1c(C)oc2ccccc12 471712318 CLTAFDCKWVXIMX-UHFFFAOYSA-N 271.360 3.756 30 20 CHED C=C(C)COCCNC(=O)[C@@H](CCC)CC1CCCC1 475055381 VWGHCBXXAABEBW-INIZCTEOSA-N 281.440 3.692 30 20 CHED N#Cc1c(COc2cc(F)cc(F)c2)cn2ccccc12 476868157 MXINNQDFYWUFOJ-UHFFFAOYSA-N 284.265 3.668 30 20 CHED C=CCN(CC=C)C(=O)CSC[C@@H](C)c1ccccc1 481924880 RWKBYRNLEZBPGV-OAHLLOKOSA-N 289.444 3.724 30 20 CHED CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 483912709 ONBHWAROQZZYCK-IUODEOHRSA-N 276.767 3.832 30 20 CHED C=CCN(c1cc(C)nc2c([N+](=O)[O-])cccc12)C1CC1 485963729 HDBUZGKLDSSYQD-UHFFFAOYSA-N 283.331 3.606 30 20 CHED C=CCN(CCc1ccco1)C(=O)Nc1ccccc1F 486893770 LIGHAYGUJOTQDJ-UHFFFAOYSA-N 288.322 3.681 30 20 CHED C=C[C@@H]1CCCCN1Cc1csc(-c2ccccn2)n1 489499400 NWFGMIAZNNVPJX-CQSZACIVSA-N 285.416 3.746 30 20 CHED N#CCC1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 492407660 KSISIVBSRDTVNV-DUXPYHPUSA-N 294.807 3.567 30 20 CHED CCN(CCCOc1c(C)cccc1C)C[C@@H](C)C#N 496916591 PBRLGFHPOYYTLO-AWEZNQCLSA-N 274.408 3.554 30 20 CHED C=CCOc1ccccc1C(=O)NCC1CCC(C)CC1 500702488 HGSWDAWLLMAGRC-UHFFFAOYSA-N 287.403 3.808 30 20 CHED C=CCSCCNC(=O)N[C@H](C)c1cc(C)cc(C)c1 502240591 GEMZIYLLJCHTNT-CQSZACIVSA-N 292.448 3.583 30 20 CHED C=C(C)CCc1noc(C/C=C\c2ccccc2F)n1 508684677 CCZNKNQKVYJDFJ-ALCCZGGFSA-N 272.323 3.973 30 20 CHED Cc1c(C#N)cccc1-c1nc(-c2ccccc2)no1 511171859 HMARWMKEFNQOQV-UHFFFAOYSA-N 261.284 3.584 30 20 CHED C=C(CNC(=O)N(CC)Cc1ccccc1)c1ccccc1 512682307 VCTILYCBIYVPAD-UHFFFAOYSA-N 294.398 3.932 30 20 CHED C[C@@H](C1CCCCC1)N(C)C(=O)NCC(C)(C)CCC#N 513124046 OMSGELNGJRLVGK-AWEZNQCLSA-N 293.455 3.927 30 20 CHED CC(C)CN(CC(C)C)C(=O)NCC(C)(C)CCC#N 513141879 WFTMGQOOFBACTO-UHFFFAOYSA-N 281.444 3.640 30 20 CHED C=CCc1ccccc1OCCOc1ccccc1 515313697 HZJVSROORLRBJM-UHFFFAOYSA-N 254.329 3.873 30 20 CHED C[C@H](C#N)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 522995753 GIDXAKXEBSOTEO-ZIAGYGMSSA-N 294.354 3.816 30 20 CHED C=CCCC(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 523272329 OSBQVRPSWASOSA-MRXNPFEDSA-N 297.402 3.593 30 20 CHED CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCC(C)(C)C1 527282261 JEVMTSHKHQYULK-CYBMUJFWSA-N 290.794 3.862 30 20 CHED CC1CC(C#N)(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)C1 532072438 FBXUEOAZAQEQOU-UHFFFAOYSA-N 298.430 3.882 30 20 CHED C=C(C)COc1cc(CNC2(C3CC3)CC2)ccc1OC 532374706 RYSHVAXHHQWHOY-UHFFFAOYSA-N 287.403 3.682 30 20 CHED C[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)c1ccc(C#N)cc1 535137311 IPSVVEONPNSQEZ-XJKSGUPXSA-N 284.403 3.952 30 20 CHED C=C(C)[C@@H](CC(=O)N[C@@H](C)c1cccc(C)c1C)OCC 535887237 FTNYDYXDMFZFAU-DOTOQJQBSA-N 289.419 3.852 30 20 CHED C=CC[C@@H](CO)CN[C@H](c1ccc(CC)cc1)C(C)C 537093552 RQLASNTVOLEGBA-AEFFLSMTSA-N 275.436 3.720 30 20 CHED C=CCN(C(=O)NCc1ccc(-c2ccccc2)o1)C1CC1 537908500 CPQOTNDJYRAMHJ-UHFFFAOYSA-N 296.370 3.807 30 20 CHED C=CCCCCCN(C)Cc1ccc(-n2cncn2)c(C)c1 539828023 BTXWXJGCBGXPMM-UHFFFAOYSA-N 298.434 3.754 30 20 CHED C[C@H](N[C@H]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 540702854 XTAYNHLGJJBJRI-WQGACYEGSA-N 260.356 3.927 30 20 CHED N#Cc1nn(CCCOc2ccc(F)cc2)c2ccccc12 541410704 XFSKPNNXQCBZEX-UHFFFAOYSA-N 295.317 3.516 30 20 CHED Cc1ccc(F)cc1-c1noc(-c2cc(C#N)cs2)n1 546407538 GRIKHZVBDXRBQW-UHFFFAOYSA-N 285.303 3.784 30 20 CHED CN(Cc1ccc(Cl)c(Cl)c1)c1cc(C#N)ccn1 553225656 CZKPPPYGBKACQO-UHFFFAOYSA-N 292.169 3.896 30 20 CHED C=CCCN[C@H](COc1ccccc1F)C(C)(C)C 555053270 NMYVCWCIWFZUME-OAHLLOKOSA-N 265.372 3.785 30 20 CHED CCCc1ccc(C(=O)Nc2ccccc2CC#N)cc1 564736305 TXWZILQCJPFOPE-UHFFFAOYSA-N 278.355 3.957 30 20 CHED CN(C(=O)c1sccc1C1CC1)c1cccc(C#N)c1 565732911 PVBBAGLBPVKLJU-UHFFFAOYSA-N 282.368 3.774 30 20 CHED C[C@H]1CCN(c2cccnc2C#N)CC12CCCCC2 566829717 XWZGMKLCFPAHHX-AWEZNQCLSA-N 269.392 3.750 30 20 CHED Cc1csc(NC(=O)C[C@H]2C=CCCC2)c1C#N 567275166 YUCRDBYTQTXNLN-NSHDSACASA-N 260.362 3.613 30 20 CHED CC[C@H](CNc1c(C#N)cnc2c(Cl)cccc12)OC 567747301 CGYCQKLABNPBPY-LLVKDONJSA-N 289.766 3.597 30 20 CHED CCn1nc(CN2CCCC(C)(C)[C@@H]2C#N)c2ccccc21 571372104 UEZYNPVMZVLCOS-KRWDZBQOSA-N 296.418 3.570 30 20 CHED CCc1noc(-c2ccc(C)c(N[C@H]3CC[C@@H](C#N)C3)c2)n1 572346388 JFQXKONFIVQJRB-OCCSQVGLSA-N 296.374 3.712 30 20 CHED N#Cc1ccc(CSc2cc(F)ccc2F)nc1 574229506 CELBTVWHPJLDIR-UHFFFAOYSA-N 262.284 3.524 30 20 CHED C=C(C)CCNC(=O)Nc1c(F)cccc1Cl 580428162 BSVWMVXRSVYHQQ-UHFFFAOYSA-N 256.708 3.567 30 20 CHED C=CCC(C)(C)CNCc1nc2ccc(Cl)cc2n1C 584066704 GYFVRCOFSQLDML-UHFFFAOYSA-N 291.826 3.919 30 20 CHED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CCCCCC#N 588278864 FLFSFXNAGMIWAB-LBPRGKRZSA-N 294.345 3.958 30 20 CHED CCC1CCC(N(C)C(=O)CCCCCC#N)CC1 588280135 ADLZNDZAXSCVEG-UHFFFAOYSA-N 264.413 3.888 30 20 CHED COc1ccc(O)c(C=Nc2ccc(Cl)c(OC)c2)c1 588610445 KELXJHPSAOWODA-UHFFFAOYSA-N 291.734 3.813 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)CCCCCC#N 588748645 HLAABGAXPTXCSV-UHFFFAOYSA-N 252.402 3.791 30 20 CHED C[C@H]1CCc2ccccc2N1C(=O)CCCCCC#N 588824266 YQZHOXXUXSVWCV-AWEZNQCLSA-N 270.376 3.828 30 20 CHED N#Cc1cc(N[C@@H]2CC[C@@H](F)C2)ccc1C(F)(F)F 588840882 BHQRGUIWMMWZFE-MWLCHTKSSA-N 272.245 3.880 30 20 CHED CCC[C@H](CC(C)C)C(=O)N[C@H](C#N)CC(C)C 590987848 JMBUMGKGIRMSKE-KGLIPLIRSA-N 252.402 3.503 30 20 CHED CC(C)[C@@H](O)Cc1ccccc1-c1ccc(C#N)s1 592988646 MUNZFCNYWJXYET-HNNXBMFYSA-N 271.385 3.846 30 20 CHED CC[C@@H](C#N)C(=O)N(Cc1c(C)cccc1C)CC(C)C 593749243 CNCQPVJOXXGZQB-INIZCTEOSA-N 286.419 3.838 30 20 CHED N#CC[C@H]1CCCN(c2nc(-c3ccccc3)cs2)C1 596331601 SCPZIEFGDBQDOM-CYBMUJFWSA-N 283.400 3.940 30 20 CHED C=CCC1(NC(=O)c2cc([N+](=O)[O-])ccc2C)CCCC1 598296036 MUZOYZHMZVDGHD-UHFFFAOYSA-N 288.347 3.522 30 20 CHED CCC(C#N)(CC)C(=O)N(C)c1ccc(SC)cc1 599464702 QSQCESRULMFCBI-UHFFFAOYSA-N 276.405 3.701 30 20 CHED CC(C)(C#N)CCCCN1CCCC(F)(F)CC1 599552504 HTFLTXSIJZAUBD-UHFFFAOYSA-N 258.356 3.828 30 20 CHED CC(C)Oc1ccc(-c2cn([C@@H]3CC[C@@H](C#N)C3)nn2)cc1 600813085 KENMWJDLLRCKJT-UKRRQHHQSA-N 296.374 3.597 30 20 CHED COc1cccc(CNc2cc(F)cc(C#N)c2)c1Cl 600856083 KULRHAVLHACWEF-UHFFFAOYSA-N 290.725 3.971 30 20 CHED Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2cccc(C#N)n2)C1 602477642 KSVXVTUJURIVAM-CVEARBPZSA-N 291.398 3.640 30 20 CHED C[C@@H](CCC#N)CNCCc1ccc(Br)cc1 602548421 YYLGLSZRBLHCOW-LBPRGKRZSA-N 295.224 3.521 30 20 CHED COc1cc(SC)ccc1NC[C@@H](C)CCC#N 602636063 DQFAGWSPRDCWSV-NSHDSACASA-N 264.394 3.769 30 20 CHED CCC[C@@H](C#N)NC(=O)[C@H](C)Sc1ccccc1Cl 608816830 ZTWNWMCXZGMKNX-QWRGUYRKSA-N 296.823 3.629 30 20 CHED C[C@@H]1CC[C@@H](CC(=O)N[C@H](C)c2cccc(C#N)c2)C1 610726197 JCDPLPCKGZIZHD-MGPQQGTHSA-N 270.376 3.562 30 20 CHED CCC(CC)(CC)C(=O)Nc1ccc(CC#N)cc1 610753012 HNZANFPLHAQRAD-UHFFFAOYSA-N 258.365 3.908 30 20 CHED C[C@H]1C[C@@H](C)C[C@H](C(=O)N[C@H](C)c2cccc(C#N)c2)C1 611540506 OSNQFEJDBUCQSB-OEUWWYETSA-N 284.403 3.808 30 20 CHED CC(C)(CC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 612232377 FBRYWYFVMAGXNW-SFHVURJKSA-N 284.403 3.507 30 20 CHED Cc1cc(CSCc2ccc(Cl)cc2C#N)nn1C 614064247 LGLOMDWQNHXDNG-UHFFFAOYSA-N 291.807 3.687 30 20 CHED Cc1noc([C@@H](C)S[C@H](C)c2cccc(C#N)c2)n1 615465039 LLMRAZPZHMEVNQ-NXEZZACHSA-N 273.361 3.805 30 20 CHED C[C@H](CCN1CCC[C@](C)(C#N)C1)c1ccccc1 618606455 GPJWZRYMOYEKHP-NVXWUHKLSA-N 256.393 3.806 30 20 CHED CCC(CC)(CC)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618790272 ZQOFAOARJBNLIS-MRXNPFEDSA-N 284.403 3.878 30 20 CHED C=CCC1(NC(=O)[C@@H]2CSc3ccccc32)CCCC1 619107608 GQIJEGVTNNHFRR-CQSZACIVSA-N 287.428 3.881 30 20 CHED CCCC[C@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 619697495 AYLGCGGNYFQJIP-QWHCGFSZSA-N 258.365 3.562 30 20 CHED CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 619763387 HRTUKBFKCPRJSM-XJKSGUPXSA-N 290.794 3.510 30 20 CHED C=C[C@@H](C)NC(=O)c1c(C)cc(C)c(Br)c1C 626067099 ZIHZLPLSLRPJJC-SNVBAGLBSA-N 296.208 3.679 30 20 CHED C=CCCC(=O)N1CCc2ccc(C(F)(F)F)cc2C1 633733369 UEAIAIPCVMRQFM-UHFFFAOYSA-N 283.293 3.556 30 20 CHED C=CCCCC[C@H](C)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 648592691 TVMZMKKAOSGLCN-AVGNSLFASA-N 279.346 3.557 30 20 CHED C=CCCNC(=O)N[C@@H](CCC=C)c1ccccc1 660939988 WPAXXSPCKFROQW-HNNXBMFYSA-N 258.365 3.569 30 20 CHED C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C)nc2C)C1 666315268 VWBCKTYFCLHCST-CQSZACIVSA-N 273.380 3.518 30 20 CHED C=CCOc1ccc(OCCCOC(C)(C)C)cc1 674908997 VRFQEEYOIOPRQD-UHFFFAOYSA-N 264.365 3.835 30 20 CHED C=CCOCCN[C@H]1CCCc2c1[nH]c1ccc(C)cc21 675925288 XYHPYYHPBJNQCE-KRWDZBQOSA-N 284.403 3.646 30 20 CHED C=C[C@H](CC(=O)N(C)CCOC(C)(C)C)c1ccccc1 677580665 VBYJQCGEPVDHPD-OAHLLOKOSA-N 289.419 3.620 30 20 CHED C=CCc1cc(CN(CC)CCC2CC2)cc(OC)c1O 680649752 CNFLFCSUSNMKAV-UHFFFAOYSA-N 289.419 3.751 30 20 CHED C[C@H]1CCCC(=NNc2ncnc3sccc23)C1 725818097 VIBNJWJXBZLVKN-VIFPVBQESA-N 260.366 3.669 30 20 CHED CC(=NNc1cnc2ccccc2n1)c1nc(C)sc1C 727258419 ISQNKWJBOAJXFL-UHFFFAOYSA-N 297.387 3.539 30 20 CHED CCc1ccc(/C=C\C(=O)c2csc(C(=O)O)c2)cc1 730147939 AEMPTJLHCCVBHW-FPLPWBNLSA-N 286.352 3.905 30 20 CHED Cc1cccc(N=C2NN=C(C(C)C)CS2)c1C 730816411 UKKBANCUDZDDFD-UHFFFAOYSA-N 261.394 3.639 30 20 CHED COc1ccc(/C=C\C(=O)c2ccc(F)cc2C)cc1O 731319446 PRVYNINHFGPMJC-CLTKARDFSA-N 286.302 3.744 30 20 CHED Cc1ccc(F)c(/C=C2/COc3ccc(F)cc3C2=O)c1 734981344 QUHAWQFGBRZHNL-GHXNOFRVSA-N 286.277 3.932 30 20 CHED Cc1nc(Cl)cc(NN=C2CCc3c(C)cccc32)n1 741763861 IAQBELDUORFVRA-UHFFFAOYSA-N 286.766 3.509 30 20 CHED Cc1ncsc1/C=C\C(=O)c1cnn(-c2ccccc2)c1 742433446 YDZCXVISBGAVRU-FPLPWBNLSA-N 295.367 3.533 30 20 CHED C=CCOCCCC(=O)Oc1ccc(Cl)c(Cl)c1 742492847 DEBNMLFDCVPATN-UHFFFAOYSA-N 289.158 3.882 30 20 CHED Cc1cc(C=NOCc2cccnc2)c(C)n1CC(C)C 746585899 OSIXMYJJUIAPMR-UHFFFAOYSA-N 285.391 3.707 30 20 CHED C=CC[C@@H](NC(=O)N1C[C@H](C)CC1(C)C)c1ccncc1 746765807 KUEPDELBCFAKSU-UKRRQHHQSA-N 287.407 3.529 30 20 CHED C[C@H](C=NNc1ccc(F)cn1)CCc1ccccc1 749165398 VJRJHEFVVAQNBQ-ZDUSSCGKSA-N 271.339 3.887 30 20 CHED CC(C)=C(C)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 752034155 OOHLGUGXIDLTPE-IRXDYDNUSA-N 282.387 3.641 30 20 CHED C[C@H](Cc1ccccc1Cl)C(=O)OCC1(CC#N)CC1 754534395 HUKCRWLPDRFVHV-GFCCVEGCSA-N 291.778 3.756 30 20 CHED COc1cc(C)ccc1C(=O)/C=C\c1ccc(O)c(F)c1 755584716 NSLRJLYWZVIGHZ-DAXSKMNVSA-N 286.302 3.744 30 20 CHED COc1ccc(Cl)cc1C(C)=NO[C@H]1CCCCO1 755818845 USDCMFBEWBTVTA-AWEZNQCLSA-N 283.755 3.616 30 20 CHED C=C[C@H](C)NC(=O)c1cc(-c2ccco2)nc2ccccc12 757014279 XJPLQWIFBVDGAP-LBPRGKRZSA-N 292.338 3.799 30 20 CHED COc1ccc(O)c(C(=O)/C=C/c2sccc2C)c1 757468059 NLQUWQKOIYHLLQ-AATRIKPKSA-N 274.341 3.667 30 20 CHED O=C(/C=C\c1ccc2ncccc2c1)c1ccc(F)cc1O 757475050 GFWUUXRAXMVGJA-YWEYNIOJSA-N 293.297 3.976 30 20 CHED CC(C)=CCC[C@H](C)CC=NNC1CCOCC1 757589139 DGKLWAHGOOJKTG-AWEZNQCLSA-N 252.402 3.513 30 20 CHED CN1CCCC(=NNc2cccc3ccccc23)CC1 758115110 ADHXWVFLLGKROO-UHFFFAOYSA-N 267.376 3.723 30 20 CHED C[C@H]1C[C@@H]1C=NNc1ccc(F)cc1Br 758374889 YQJMECHVNNLJAM-JGVFFNPUSA-N 271.133 3.642 30 20 CHED Cc1ccc([C@H](C)NC(=O)c2ccc(CC#N)cc2)s1 758655921 VXKIOBLHKDPEBX-LBPRGKRZSA-N 284.384 3.614 30 20 CHED COc1cccc2c1C/C(=C\c1ccc(C)cc1)C2=O 759667963 ZZKXNHFHHXFVJQ-GXDHUFHOSA-N 264.324 3.826 30 20 CHED CCC(CC)[C@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 762019818 YNRGPAUVASQWBI-WCQYABFASA-N 283.375 3.811 30 20 CHED C=CC[C@H](NC(=O)c1cccc(C(C)C)n1)c1ccncc1 762222658 VKZJURTZDBOMRM-INIZCTEOSA-N 295.386 3.647 30 20 CHED C#CCN(CC)C(=O)c1sccc1-c1ccc(C)cc1 764211136 OQWXXNIWEQNIKT-UHFFFAOYSA-N 283.396 3.819 30 20 CHED C[C@H]1CC/C(=C\C(=O)N(C)c2cc(Cl)ccc2C#N)C1 764274020 VGQNBZSBCIZXMI-SERMCNLOSA-N 288.778 3.921 30 20 CHED C[C@H]1CC(=NNc2cc(Cl)ccn2)CC[C@H]1C 767386820 VZANRNOSTMUUDV-ZJUUUORDSA-N 251.761 3.959 30 20 CHED CC(Cc1ccncc1)=NNc1cccc2c1CCCC2 767777090 RXKITIZBYSDEIQ-UHFFFAOYSA-N 279.387 3.991 30 20 CHED C#C[C@@H](C)NC(=O)c1sc2cccc(Cl)c2c1Cl 772973268 SCWXMEJYROWEAD-SSDOTTSWSA-N 298.194 3.960 30 20 CHED C=C(CC)COC(=O)Cc1ccccc1Br 773516699 KVHDNTJRKJDTEQ-UHFFFAOYSA-N 283.165 3.501 30 20 CHED N#Cc1cccc(COC(=O)c2ccc3cc[nH]c3c2)c1F 774912758 FRIIECHTAFGOMF-UHFFFAOYSA-N 294.285 3.536 30 20 CHED C#CCOc1ccccc1NC(=O)C[C@H](CC)C(C)C 775942727 KMXKFSKLGXGPAC-AWEZNQCLSA-N 273.376 3.709 30 20 CHED C=CCN(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)C(C)C 775982040 XSSLDOMKFUFASH-JTQLQIEISA-N 280.334 3.569 30 20 CHED O=C(/C=C/c1cc(F)cc(Cl)c1)c1cscn1 776720974 VRXKQVQKEXQPIV-OWOJBTEDSA-N 267.712 3.832 30 20 CHED C=CCCOC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 777154202 HUHGONWZFXEOOW-UHFFFAOYSA-N 290.750 3.567 30 20 CHED CC(=NOCCC(F)(F)F)c1cc([N+](=O)[O-])ccc1C 777456427 YQUPBPVAFBENGF-UHFFFAOYSA-N 290.241 3.596 30 20 CHED CCc1ccc(C(C)=NOCCC(F)(F)F)cc1 777457927 CCFZALFZXAIQTD-UHFFFAOYSA-N 259.271 3.942 30 20 CHED CC(=O)c1ccc(C(=O)OCC2(C#N)CCCCC2)s1 780494215 HWGVPMHZDLGLIS-UHFFFAOYSA-N 291.372 3.582 30 20 CHED CC(C)(C#N)CCCOC(=O)CCc1ccc(F)cc1 782109956 COBUEQGRBIIPQL-UHFFFAOYSA-N 277.339 3.631 30 20 CHED CC1(C=Nn2c(S)nnc2-c2ccccc2Cl)CC1 782143018 LCAAPKDINVRYIV-UHFFFAOYSA-N 292.795 3.521 30 20 CHED Fc1ccccc1NN=Cc1cnc(-c2ccco2)s1 782186214 LZKJCSPDXRXHOH-UHFFFAOYSA-N 287.319 3.988 30 20 CHED CC1(C)CCC[C@@H]1NN=Cc1ccc2ncccc2c1 782289967 WSRFHSIFOQXZCS-INIZCTEOSA-N 267.376 3.737 30 20 CHED Cc1cc(COC(=O)c2cc(F)cc(F)c2)ccc1C#N 782373835 SRLNQKRZCSSXCB-UHFFFAOYSA-N 287.265 3.502 30 20 CHED Cc1cc(COC(=O)[C@H](C)C2CCCC2)ccc1C#N 784014365 KUUJLXJNBMVMGW-CYBMUJFWSA-N 271.360 3.736 30 20 CHED CCCOc1cc(C=NNC2CCCCC2)ccc1OC 786042010 GEUBMQDRSSOSMZ-UHFFFAOYSA-N 290.407 3.740 30 20 CHED Fc1cc(Cl)cc(C=NNC2CCCCC2)c1 786043659 QWGNYFSJDXSNPA-UHFFFAOYSA-N 254.736 3.735 30 20 CHED COc1ccc(O)c(/C=N\[C@@H]2C[C@H]2c2ccc(F)cc2)c1 788320351 LSEPVFPESNDPDO-OUOTWVDCSA-N 285.318 3.515 30 20 CHED COc1ccc2c(c1)C(C)(C)CC2=NNc1ccnc(F)c1 788726654 YDJHLGCZFWDBAU-UHFFFAOYSA-N 299.349 3.727 30 20 CHED COc1ncc(C(=O)/C=C\c2ccccc2)cc1Cl 789158297 VFRHGJVFGIBLDK-FPLPWBNLSA-N 273.719 3.640 30 20 CHED Cc1cc(C)c(C=NNc2ncccc2C)cc1C 790185961 LRDBUHUPKPEHOL-UHFFFAOYSA-N 253.349 3.761 30 20 CHED Oc1c(Cl)cc(Cl)cc1/C=N\C[C@@H]1CCSC1 790598513 NMXQNYPZWHSUBK-ZAAMMXGNSA-N 290.215 3.871 30 20 CHED C[C@H](NN=Cc1ccc(OC(F)F)cc1)C(C)(C)C 793116537 UCHKFQUWJHOJET-JTQLQIEISA-N 270.323 3.646 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1c(F)ccc(O)c1F 794538194 ODEJBEOKJXSNOT-ZDUSSCGKSA-N 282.334 3.563 30 20 CHED COc1ccccc1CC(=NOCCSC)C(C)C 794575039 VFWAWZAFVPSXSI-UHFFFAOYSA-N 281.421 3.629 30 20 CHED CSCCON=C1C[C@@H](OCc2ccccc2)C1(C)C 794576908 KFHULLKLQZWTFB-OAHLLOKOSA-N 293.432 3.737 30 20 CHED Fc1cccc(NN=Cc2cnc(-c3ccccc3)s2)n1 795007236 VWIGDIQLSRAZAY-UHFFFAOYSA-N 298.346 3.790 30 20 CHED C[C@H](C=NNc1cccc(F)n1)c1ccc(F)cc1 795007863 OSKPZKIWLNCYPD-SNVBAGLBSA-N 261.275 3.561 30 20 CHED C#C[C@H](NC(=O)CCC(C)(C)c1ccccc1)C(C)C 799046350 FWUPIVWOWMFSNL-INIZCTEOSA-N 271.404 3.518 30 20 CHED COc1ccccc1CON=Cc1cc(C)c(C)cc1O 799118602 MWPBCLYFLDANNN-UHFFFAOYSA-N 285.343 3.568 30 20 CHED Cc1ccc(C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)cc1C#N 799338722 ZKOUWFATEALLDS-CPUCHLNUSA-N 282.387 3.660 30 20 CHED C=C(C)COC(=O)c1cc2cc(F)ccc2s1 804333180 UWZAKLPRINKERF-UHFFFAOYSA-N 250.294 3.773 30 20 CHED C=CCCCCCCNC(=O)Cc1ccc(C)cc1 805219111 WVAPYISOAXXHTF-UHFFFAOYSA-N 259.393 3.790 30 20 CHED CC(C)(CC(=O)OCCCSCC#N)c1ccccc1 805428161 CSNYQANGINYWQU-UHFFFAOYSA-N 291.416 3.544 30 20 CHED C=CCCCCCCNC(=O)Nc1ncccc1C 806404448 CBFLWIHLYFJXSY-UHFFFAOYSA-N 261.369 3.648 30 20 CHED C=C(CNC(=O)CCCCCCC(C)=O)c1ccccc1 807798367 UKMBNXKKGPAUFX-UHFFFAOYSA-N 287.403 3.746 30 20 CHED C#C[C@H](NC(=O)c1ccc(CSCC)cc1)C(C)(C)C 807881944 GOJBYJAEGLBVQP-HNNXBMFYSA-N 289.444 3.717 30 20 CHED C(=NNc1nccnc1C1CCC1)[C@@H]1C[C@H]2CC[C@H]1C2 807991386 MDQWEWODEICKNF-UBHSHLNASA-N 270.380 3.578 30 20 CHED C#CCCc1noc(-c2cc(Cl)ccc2OC(C)C)n1 809397124 XFHSIVXHVFMTGD-UHFFFAOYSA-N 290.750 3.743 30 20 CHED CC(C)Oc1ccc(N[C@H]2CC[C@H]2C2CC2)cc1C#N 809635573 IHTUNRPHFYMSJD-HOTGVXAUSA-N 270.376 3.946 30 20 CHED C#Cc1ccccc1CC(=O)N[C@@H](CCC)c1ccccc1 809964847 SQXGYXKQIWVUPW-IBGZPJMESA-N 291.394 3.868 30 20 CHED C=CCCCCCCCNC(=O)[C@@H]1CC[C@@H](CC)O1 810768737 VOKUMDDAHYVYEL-CABCVRRESA-N 267.413 3.587 30 20 CHED C#Cc1ccccc1CC(=O)O[C@H]1C[C@@H](c2ccccc2)C1 810881249 KSSBWSFECPTWCE-KDURUIRLSA-N 290.362 3.700 30 20 CHED CC(=NOC/C=C\Cl)c1csc(C(C)C)n1 811667932 GXXBOOKJGWLASK-RVHQXPLQSA-N 258.774 3.760 30 20 CHED CCC(=NOC/C=C\Cl)c1ccc(N(C)C)cc1 811670087 NFFIDSCXJGFFTE-BZDDDAPPSA-N 266.772 3.636 30 20 CHED FC(F)(F)CC(=NOC1CCC1)c1ccccc1 812236195 HZRNHMFGTQUBEL-UHFFFAOYSA-N 257.255 3.912 30 20 CHED N#Cc1ccc(CNCc2ccc3c(c2)CCCC3)cc1 813771273 TZHXYVIVHGVMLG-UHFFFAOYSA-N 276.383 3.727 30 20 CHED COCc1ccccc1/C=C(/C)C=NOCC(F)(F)F 814226069 ZKOSDGOLURDACY-RTTBRSAMSA-N 287.281 3.801 30 20 CHED C=CCC(F)(F)C(=O)Nc1ccc(OCC)c(OCC)c1 814731629 XIXYZOAYVNIEBO-UHFFFAOYSA-N 299.317 3.634 30 20 CHED CC1(C)CCCC[C@@H]1NN=Cc1ccc2oncc2c1 814916833 FPZOUBIOGZULKL-HNNXBMFYSA-N 271.364 3.720 30 20 CHED CC(CCCCCCC(=O)O)=NN[C@@H](C)C(C)(C)C 814938458 LRLUWKPWXYSUKO-ZDUSSCGKSA-N 270.417 3.812 30 20 CHED Fc1ccc(NN=Cc2ccccc2)c(F)c1F 814945726 NCVDJAWCALQYQH-UHFFFAOYSA-N 250.223 3.550 30 20 CHED C=CCC(F)(F)C(=O)OCc1cc2ccccc2o1 815310412 WNFQURWXNFHZEU-UHFFFAOYSA-N 266.243 3.687 30 20 CHED C=CCC(F)(F)C(=O)N(C)c1ccc(C)c(Cl)c1 815605664 AVUBPETYXNSGGC-UHFFFAOYSA-N 273.710 3.823 30 20 CHED C=CCC(F)(F)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 815707950 XOZTUVLOQRSVCU-ZDUSSCGKSA-N 281.346 3.562 30 20 CHED C#CCC1(C(=O)Nc2cc(C)c3nccn3c2)CCCCC1 818055406 DTTNXGWOCRMNBH-UHFFFAOYSA-N 295.386 3.555 30 20 CHED C#CCCCCCC(=O)NC(C)(C)c1ccccc1C 818330408 CYWHPXVEVPSLNX-UHFFFAOYSA-N 271.404 3.930 30 20 CHED C=C(C)C(C)(C)C(=O)N(C)c1ccc2c(C)cc(=O)oc2c1 819533503 KZBVDNVXJQVQFO-UHFFFAOYSA-N 299.370 3.667 30 20 CHED C=CCC[C@H](C)OC(=O)Cc1nsc2ccccc12 820481596 QNGVGUGMLUHUIV-NSHDSACASA-N 275.373 3.737 30 20 CHED CCCCCCC[C@@H](C)NCc1nc(C(C)C)n[nH]1 824603726 ZINOTLUTXNYDQF-CYBMUJFWSA-N 266.433 3.767 30 20 CHED C#Cc1cnc(N2CCC[C@@H]2c2ccc(C(C)C)cc2)nc1 827829813 PQVJUODAOCFSQR-GOSISDBHSA-N 291.398 3.923 30 20 CHED C=CCCCCCN(C)C(=O)CCc1cccnc1Cl 828453687 HRIXXIVRRJCIOV-UHFFFAOYSA-N 294.826 3.872 30 20 CHED C[C@H](c1ccc(C(=O)OCCCC#N)cc1)C(F)(F)F 835268593 TWKUJVWQLVJUND-SNVBAGLBSA-N 285.265 3.813 30 20 CHED CCOc1ccc([C@@H]2CCCN2C(=O)C#CC(C)(C)C)cc1 837321491 WFYHMZZLVPXAIM-KRWDZBQOSA-N 299.414 3.798 30 20 CHED N#C[C@H]1CCC[C@H](OC(=O)Cc2c(F)cccc2Cl)C1 839043485 MGTLVBWYZGCDHN-QWRGUYRKSA-N 295.741 3.647 30 20 CHED C[C@]1(CC(=O)O[C@H]2CCC[C@@H](C#N)C2)CC1(Cl)Cl 839056859 LADWMYHIOMOTCR-SCVCMEIPSA-N 290.190 3.586 30 20 CHED Clc1ccc(C=NNc2nncc3ccccc23)s1 839387314 KJJFUMXVZXWGFR-UHFFFAOYSA-N 288.763 3.791 30 20 CHED C=CCCCCCOC(=O)c1ccc2cnccc2n1 840597613 IFJHISSMJYPTBO-UHFFFAOYSA-N 270.332 3.533 30 20 CHED C#CCC1(OC(=O)[C@@H]2CCSc3ccccc32)CCC1 842348542 JLOAGUWGJWXSQD-CQSZACIVSA-N 286.396 3.755 30 20 CHED C#C[C@@H](OC(=O)[C@@H](C)C1CC1)c1ccc(Cl)cc1F 842352976 HZQOKEVVQSDEHQ-LKFCYVNXSA-N 280.726 3.743 30 20 CHED C=C[C@H](C)ONC(=O)Nc1ccc2c(ccn2CCC)c1 844532415 SDZHWLHBCWMIOI-LBPRGKRZSA-N 287.363 3.679 30 20 CHED CCc1cccc(CNC2(c3cccc(C#N)c3)CC2)c1O 848899037 JFPLIZOBIMJAHD-UHFFFAOYSA-N 292.382 3.605 30 20 CHED N#CC1(CC(=O)OC[C@H]2CCC(F)(F)C2)CCCCC1 849906599 DXKHCNZWZQPRFA-LBPRGKRZSA-N 285.334 3.829 30 20 CHED C=Cc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 851203467 AMOWAUOVJJRTGF-LBPRGKRZSA-N 257.333 3.815 30 20 CHED C=CCCONC(=O)c1ccc(Cl)cc1C(F)(F)F 856034024 ZSPSTYPYYBBXPZ-UHFFFAOYSA-N 293.672 3.596 30 20 CHED C#CC[C@H](CCOC)NCc1cc2cccc(CC)c2o1 858335154 WJLLBMFWOFARTI-MRXNPFEDSA-N 285.387 3.513 30 20 CHED CCC(C#N)(CC)C(=O)Oc1ccc(OCC(C)C)cc1 860700610 OSZJQPNNUSNXSX-UHFFFAOYSA-N 289.375 3.957 30 20 CHED CCC(C#N)(CC)C(=O)OCC[C@]1(C)C[C@]1(F)Cl 860839581 SHOGLMRTBJNAPE-DGCLKSJQSA-N 275.751 3.564 30 20 CHED CCC(C#N)(CC)C(=O)Oc1cccc(-c2ccccn2)c1 860889019 MBVDSGPCFYFVKF-UHFFFAOYSA-N 294.354 3.984 30 20 CHED Cc1nn(C(C)C)cc1/C=C/C(=O)c1cc(O)ccc1F 871671266 JWPYBBQEWBFMMR-QPJJXVBHSA-N 288.322 3.513 30 20 CHED CCC[C@@H](CC)C(=O)Nc1cc(C#N)c(F)cc1F 876352173 VYBKEJKTUPRIOC-SECBINFHSA-N 266.291 3.601 30 20 CHED C=C(C)CN(CC)C(=O)Nc1cnccc1C(F)(F)F 880971134 KODSPUOQIKEEEP-UHFFFAOYSA-N 287.285 3.530 30 20 CHED C=CC(C)(C)CC(=O)O[C@H](CC)c1ccc(F)cn1 890889781 WKPMEVFYNCLEHG-CYBMUJFWSA-N 265.328 3.817 30 20 CHED CC[C@@H](C)CCCCC(=O)N(CC#N)c1ccccn1 892472308 ZTMSRQKKODJPGR-CQSZACIVSA-N 273.380 3.545 30 20 CHED C=C(C)C(C)(C)C(=O)Nc1nn(C(C)C)cc1Cl 894873768 MCTLKWUNAKJAQQ-UHFFFAOYSA-N 269.776 3.658 30 20 CHED C=C1CCC(C(=O)N2CCC(Cc3cccnc3)CC2)CC1 897297179 YAQCDUHAUHSWNM-UHFFFAOYSA-N 298.430 3.609 30 20 CHED O=C1/C(=C\c2cnn(C3CCC3)c2)Cc2cc(F)ccc21 899358345 VXSBKSNFNKAEHC-MLPAPPSSSA-N 282.318 3.570 30 20 CHED Cc1nc2c(n1CCCCC1(C#N)CCC1)CCCC2 901556874 HUSNWTVYMMUCBN-UHFFFAOYSA-N 271.408 3.935 30 20 CHED COCc1cccc(CSCc2cc(C#N)ccn2)c1 901774278 CBOWCKXAEYFXES-UHFFFAOYSA-N 284.384 3.533 30 20 CHED C=CCCCN(CC)Cc1cc(C(=O)O)sc1C 903961110 LNPIUGUSANXLIC-UHFFFAOYSA-N 267.394 3.543 30 20 CHED C=C[C@](C)(CC)c1nc([C@H](OCC)C(C)C)no1 904121219 KJTVVSUDJLNBDN-BXUZGUMPSA-N 252.358 3.657 30 20 CHED O=C(CCCC(F)(F)F)N(O)Cc1ccccc1Cl 904190305 JTRZYINYYDDUDB-UHFFFAOYSA-N 295.688 3.790 30 20 CHED C=CC[S@@](=O)[C@H](C)c1ccc(OC(F)(F)F)cc1 905170552 ZYOXLXZZPFQOLV-DYBLOJMWSA-N 278.295 3.581 30 20 CHED C=C[C@@H](CC)CC(=O)Nc1cccnc1C(F)(F)F 905639028 AVFDCFIEZDHJIB-VIFPVBQESA-N 272.270 3.641 30 20 CHED CCCCCCCCCNC(=O)N1CCCCC1 914463288 SNOKJRIOTSBRNL-UHFFFAOYSA-N 254.418 3.933 30 20 CHED C(=NNCc1cccc2cccnc12)C1CCCCC1 915959498 NHGAFNFQASYCCD-UHFFFAOYSA-N 267.376 3.891 30 20 CHED CCCCCCCCC(=O)NCc1ccccc1[N+](=O)[O-] 916423542 ZFXONTGLSOGDTG-UHFFFAOYSA-N 292.379 3.962 30 20 CHED CC[C@@H]1CCCC1=NNC(=S)Nc1ccccc1 916661245 LJSNCMGBZPRBDM-LLVKDONJSA-N 261.394 3.539 30 20 CHED COc1cccc(/C=N\[C@H](C)c2c(F)cccc2F)c1O 917557866 DJAYMDRPQKEDJU-DWOMLUCJSA-N 291.297 3.859 30 20 CHED COc1cccc(O)c1/C=N\C[C@H](C)c1ccc(F)cc1 920177713 JISCSKHOPIJSQC-XHEYCZLTSA-N 287.334 3.763 30 20 CHED CCCc1ccc(NC=C2C(=O)CC(CC)CC2=O)cc1 920979379 KBDDQNRLCRYTQN-UHFFFAOYSA-N 285.387 3.893 30 20 CHED CCCCCCCCCN[C@H]1C[C@@H](C)n2ncnc21 924582783 TXFFAQCFHVCROG-KGLIPLIRSA-N 264.417 3.624 30 20 CHED CC[C@H](N[C@H](C)CCC#N)c1cc(F)ccc1OC 932475099 RZVCBFCHOVFWNA-RISCZKNCSA-N 264.344 3.567 30 20 CHED C=C[C@@H](C)ONC(=O)Nc1cccc(COC(C)(C)C)c1 933198534 FNKAQFVUQLMKHS-GFCCVEGCSA-N 292.379 3.629 30 20 CHED C=CC[C@H]1CCCN(C(=O)N[C@@](C)(CC)C(F)(F)F)C1 933518070 ZFGYHJYBOZDHJH-AAEUAGOBSA-N 292.345 3.715 30 20 CHED Cc1ccccc1C1(C(=O)OCc2ccc(C#N)s2)CC1 1118398278 TZEBRZPTCAQDKW-UHFFFAOYSA-N 297.379 3.703 30 20 CHED C=C(C)CCC(=O)N(C)Cc1ccc(Cl)c(F)c1 1120627233 UATRTROLNJUPSG-UHFFFAOYSA-N 269.747 3.794 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2scnc2c1 1120814022 TYQNVJWDRGWRHP-CYBMUJFWSA-N 286.400 3.867 30 20 CHED C[C@@]1(C(=O)O[C@H](CC#N)c2ccco2)CC=CCC1 1123370281 UAFNNQHALVELKY-UKRRQHHQSA-N 259.305 3.524 30 20 CHED C[C@H]1CCc2c(F)cccc2[C@@H]1Nc1ncc(C#N)cc1F 1162674914 BQESJVRBVOUERS-MGPLVRAMSA-N 299.324 3.967 30 20 CHED N#Cc1ccnc(CS[C@H]2CCc3ccccc3C2)c1 1166489135 ZCZWRYIFMZNQFZ-KRWDZBQOSA-N 280.396 3.744 30 20 CHED N#CCc1ccc(CN2CCc3c(Cl)cccc32)cc1 1167897356 GANBZGOXCWAWBR-UHFFFAOYSA-N 282.774 3.969 30 20 CHED N#Cc1ccnc(CN2CCC[C@H]2c2ccc(F)cc2F)c1 1232480279 RRUXYFLFTATBSR-KRWDZBQOSA-N 299.324 3.569 30 20 CHED CCN(Cc1ccccc1F)Cc1cc(F)ccc1C#N 1232892626 CAMYOYVGEBXKPO-UHFFFAOYSA-N 286.325 3.859 30 20 CHED N#CC[C@@H](OC(=O)c1cccc2c1CCC2)c1ccco1 1263660970 VUEMYXXRUZDZIQ-MRXNPFEDSA-N 281.311 3.580 30 20 CHED C=C(Br)CN1C[C@@H](C)C[C@H]1c1ccccc1 1307754463 WWVJXRXCOWEWTB-FZMZJTMJSA-N 280.209 3.978 30 20 CHED C[C@@H](C#N)CN(C)C(=O)c1ccc(-c2cccs2)s1 1320017821 SCKVENUMHWXKDZ-JTQLQIEISA-N 290.413 3.708 30 20 CHED Cc1ccccc1-c1cccc(C=NNc2ccn(C)n2)c1 1320697610 UITCDBQQPZTTDA-UHFFFAOYSA-N 290.370 3.842 30 20 CHED C=CCCCC(=O)O[C@H]1c2ccccc2OC[C@@H]1C 1320828322 HOXWSWKRJIVIFI-BLLLJJGKSA-N 260.333 3.656 30 20 CHED C=CCC1(C(=O)NCCc2c(F)cccc2Cl)CCC1 1321874283 VHJDGRHDECIDSL-UHFFFAOYSA-N 295.785 3.884 30 20 CHED COc1ccc(Cl)cc1CCN[C@@H]1CCC[C@@H](C#N)C1 1322129279 FGFBRAUSORTXJF-IUODEOHRSA-N 292.810 3.563 30 20 CHED C[C@H](CC#N)NC(=O)c1ccc(-c2cccs2)s1 1323696418 DBAXXFYAROYAQR-SECBINFHSA-N 276.386 3.509 30 20 CHED CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1cccc(OCC#N)c1 1330315406 IVYOPSHPXXQUSH-IKGGRYGDSA-N 284.403 3.503 30 20 CHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 1331151720 FQVGBOLMOXGEIQ-NSHDSACASA-N 281.346 3.929 30 20 CHED COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1F 1331307127 SZTMFIJYUVBFKS-LBPRGKRZSA-N 284.334 3.557 30 20 CHED C[C@@H](CC1CCCC1)C(=O)Nc1cnc(Cl)cc1C#N 1337425255 WRCWECBQMMEMGF-JTQLQIEISA-N 291.782 3.762 30 20 CHED N#Cc1cccc(C2(C(=O)N3CCCCCCCC3)CC2)c1 1348315019 VIGMEIALIYYTPD-UHFFFAOYSA-N 296.414 3.773 30 20 CHED CSc1ccccc1NC(=O)c1cc(C#N)ccc1C 1350965810 MYUOFNWWVNAIBH-UHFFFAOYSA-N 282.368 3.841 30 20 CHED CC(=O)c1cccc(CNc2cccc(F)c2C#N)c1 1458462386 AJFJNQCQMJIHMS-UHFFFAOYSA-N 268.291 3.512 30 20 CHED Cc1cccc([C@H](C)C(=O)Nc2cc(C#N)ccc2F)c1 1460785448 DUYOCPOEOKFYQV-LBPRGKRZSA-N 282.318 3.748 30 20 CHED CC[C@H](Nc1ncc(C#N)cc1F)C1CCCCC1 1472686136 XKUZGTBKXZSHSS-AWEZNQCLSA-N 261.344 3.863 30 20 CHED N#Cc1cnnc(Nc2ccc(CCC(F)(F)F)cc2)c1 1472715799 JJWMPWAJKZSPCZ-UHFFFAOYSA-N 292.264 3.587 30 20 CHED CC[C@@H](Nc1snc(Cl)c1C#N)[C@H]1CC1(C)C 1472809217 MAWLHHASWJDJJN-RKDXNWHRSA-N 269.801 3.905 30 20 CHED CCC[C@H]1[C@H](C)CCCN1Cc1ccc(C#N)cc1OC 1473245467 RVOJKZYVTAIQTC-PBHICJAKSA-N 286.419 3.967 30 20 CHED C[C@]1(Cc2ccc(F)cc2)CCCN1CC1(CC#N)CC1 1473566925 XGWWQIOUHJOVIH-QGZVFWFLSA-N 286.394 3.917 30 20 CHED C=CCC[C@@H]1CCCN1C(=O)c1ccc2ccncc2c1 1514860813 ZZNPLTFKPXBWKU-QGZVFWFLSA-N 280.371 3.806 30 20 CHED C[C@H](CCCC#C[Si](C)(C)C)OC(=O)c1nccs1 1526337073 SBHRJPHDIZXYEV-GFCCVEGCSA-N 295.480 3.740 30 20 CHED N#Cc1cc2ccccc2cc1NC(=O)Cc1ccsc1 1528741475 RDWWOPTTWPMHJQ-UHFFFAOYSA-N 292.363 3.954 30 20 CHED N#Cc1sccc1C(=O)Nc1cccc2c1CCCC2 1530224612 MEXKHIZFJWGLLQ-UHFFFAOYSA-N 282.368 3.751 30 20 CHED C=C(CC)C(=O)N(Cc1ccccc1F)C1CCC1 1548667619 FMBRWOBTWCGVGC-UHFFFAOYSA-N 261.340 3.673 30 20 CHED N#Cc1cc(=N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc[nH]1 1559212575 OYIALORVMCPOHJ-UKRRQHHQSA-N 297.789 3.777 30 20 CHED CCC[C@H](CN(Cc1ccc(C#N)cc1)C(C)C)OC 1560639328 UDAMLYNBKRPTGS-QGZVFWFLSA-N 274.408 3.584 30 20 CHED CC(C)c1ncsc1C(=O)Nc1cc(C#N)ccc1F 1583534329 IRLSYDCMWXEJRV-UHFFFAOYSA-N 289.335 3.530 30 20 CHED C=CCCC[C@H](N[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1 1588797755 LIOFBNICDNZCER-IKGGRYGDSA-N 287.403 3.927 30 20 CHED C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3cc(C#N)c[nH]3)c21 1597035451 BBGAGAWUXUBYHX-LLVKDONJSA-N 293.370 3.923 30 20 CHED Cc1nsc(NC[C@H]2CCCC(C)(C)C2)c1C#N 1612494082 UKHSAPLRBPABKH-NSHDSACASA-N 263.410 3.952 30 20 CHED CCCOc1ccc(CN(CCC#N)CC2CC2)cc1C 1621144427 FORRZOSDWSVSPS-UHFFFAOYSA-N 286.419 3.910 30 20 CHED CC1CC(C#N)(C(=O)NCC[C@@H]2C[C@H](C)CC(C)(C)C2)C1 1626528814 TXGZBMFAFDHVAR-YOFIQYCBSA-N 290.451 3.895 30 20 CHED Cc1cc(C)cc(CCNc2c(C#N)cccc2C#N)c1 1642296054 ZWMSYSMYSQURQQ-UHFFFAOYSA-N 275.355 3.701 30 20 CHED CC(C)C[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 1652899218 BQYHYBCTDATXOM-CQSZACIVSA-N 274.383 3.955 30 20 CHED C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccc(F)c(C#N)c1 1668716322 NXDJKDGMXRTWKN-GHMZBOCLSA-N 289.354 3.644 30 20 CHED CC(C)(C)CC(C)(C)NC(=O)Nc1sccc1C#N 1672812444 KMADSMNMRCLZFN-UHFFFAOYSA-N 279.409 3.956 30 20 CHED N#Cc1ccsc1NC(=O)N[C@@H](c1ccccc1)C1CC1 1678962415 CWBQYVQHYUWRLQ-AWEZNQCLSA-N 297.383 3.893 30 20 CHED CCC[C@@H]1CCCC1=NNc1ccccc1C(=O)O 1776030550 OMVPMWPFOOCNAM-LLVKDONJSA-N 260.337 3.753 30 20 CHED CC1(C)[C@@H]2CC(=NNc3ccc(Cl)c(C(=O)O)c3)C[C@H]21 1776034442 HHPLLDQTVHZMIU-VXGBXAGGSA-N 292.766 3.872 30 20 CHED CCCCCC[C@H]1CCCC1=NN[C@H](CC)C(=O)O 1776065870 WNZWAWPVVDSTMS-QWHCGFSZSA-N 268.401 3.566 30 20 CHED Cc1oc(/C=C/C(=O)c2ccccc2Cl)cc1C(=O)O 1776114922 GCPCICVRNQBWIF-VOTSOKGWSA-N 290.702 3.836 30 20 CHED O=C(O)c1ccc(F)c(/C=C/C(=O)c2ccccc2F)c1 1776131137 INUVCLVRDVJLMF-SOFGYWHQSA-N 288.249 3.559 30 20 CHED O=C(O)/C=C\c1ccc(/C=C\C(=O)c2ccccc2F)cc1 1776131446 RKNFRZJTTZQANO-HWAYABPNSA-N 296.297 3.820 30 20 CHED C=CCC1(C(=O)O)CCN([C@@H](C)c2ccccc2F)CC1 1776157382 HEGVLTWBPBWDIL-ZDUSSCGKSA-N 291.366 3.630 30 20 CHED C=CC[C@@]1(C(=O)O)CCN(C[C@H](C)C2CCCCC2)C1 1776159532 CIZAAJWURGXBIE-WMLDXEAASA-N 279.424 3.556 30 20 CHED C=CCC1(C(=O)O)CCN(C[C@H](C)C2CCCCC2)CC1 1776159596 MSJGVKAOFKASKN-HNNXBMFYSA-N 293.451 3.946 30 20 CHED